smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000090998263 349446090 /nfs/dbraw/zinc/44/60/90/349446090.db2.gz IMMSDUWLWICDLP-GFCCVEGCSA-N 2 2 279.388 0.659 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)CC[NH+]1CCCC1 ZINC000091576772 349467176 /nfs/dbraw/zinc/46/71/76/349467176.db2.gz YFJONDURYJUGEU-AWEZNQCLSA-N 2 2 255.406 0.735 20 0 CCADLP COCC[NH2+]CC(=O)NCCCCn1cc[nH+]c1 ZINC000092509833 349498244 /nfs/dbraw/zinc/49/82/44/349498244.db2.gz RSJWSKZVSAKPDR-UHFFFAOYSA-N 2 2 254.334 0.016 20 0 CCADLP Nc1nc(-n2cccn2)cc(N2CC[NH+](C3CC3)CC2)[nH+]1 ZINC000092892357 349510094 /nfs/dbraw/zinc/51/00/94/349510094.db2.gz YIUCHNLVLOKSND-UHFFFAOYSA-N 2 2 285.355 0.529 20 0 CCADLP COC(=O)[C@@]1(OC)CC[N@H+](Cc2c[nH+]cn2C)C1 ZINC000599562125 361741335 /nfs/dbraw/zinc/74/13/35/361741335.db2.gz DHVCEQAZRCTRRG-GFCCVEGCSA-N 2 2 253.302 0.184 20 0 CCADLP COC(=O)[C@@]1(OC)CC[N@@H+](Cc2c[nH+]cn2C)C1 ZINC000599562125 361741340 /nfs/dbraw/zinc/74/13/40/361741340.db2.gz DHVCEQAZRCTRRG-GFCCVEGCSA-N 2 2 253.302 0.184 20 0 CCADLP C[C@@]1(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CC[NH2+]C1 ZINC000269233142 190479860 /nfs/dbraw/zinc/47/98/60/190479860.db2.gz DPWQMCRUIOCOCK-OAHLLOKOSA-N 2 2 285.351 0.883 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)[nH]1 ZINC000093085681 349523759 /nfs/dbraw/zinc/52/37/59/349523759.db2.gz WKZHSZVIYYPLJJ-GFCCVEGCSA-N 2 2 280.372 0.137 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)[nH]1 ZINC000093085681 349523761 /nfs/dbraw/zinc/52/37/61/349523761.db2.gz WKZHSZVIYYPLJJ-GFCCVEGCSA-N 2 2 280.372 0.137 20 0 CCADLP O=C(C[NH+]1CCCC1)N1CC[NH+](CC2=CCCOC2)CC1 ZINC000093047114 349522420 /nfs/dbraw/zinc/52/24/20/349522420.db2.gz RLKJNOZNLKRSOF-UHFFFAOYSA-N 2 2 293.411 0.573 20 0 CCADLP C[C@@H]1CC[C@H](C)C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000093177771 349529464 /nfs/dbraw/zinc/52/94/64/349529464.db2.gz BWXBSPOLUHQRCX-QWHCGFSZSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@@H]1CC[C@H](C)C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000093177771 349529466 /nfs/dbraw/zinc/52/94/66/349529466.db2.gz BWXBSPOLUHQRCX-QWHCGFSZSA-N 2 2 253.390 0.881 20 0 CCADLP CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CC[N@H+](C)C1 ZINC000617553232 365674872 /nfs/dbraw/zinc/67/48/72/365674872.db2.gz CWSSZFVNZWUYHB-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CC[N@@H+](C)C1 ZINC000617553232 365674874 /nfs/dbraw/zinc/67/48/74/365674874.db2.gz CWSSZFVNZWUYHB-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP OCc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)o1 ZINC000093664786 349548989 /nfs/dbraw/zinc/54/89/89/349548989.db2.gz PPKDAXVRSOWIHV-CYBMUJFWSA-N 2 2 280.368 0.926 20 0 CCADLP OCc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)o1 ZINC000093664786 349548994 /nfs/dbraw/zinc/54/89/94/349548994.db2.gz PPKDAXVRSOWIHV-CYBMUJFWSA-N 2 2 280.368 0.926 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000337690573 214218793 /nfs/dbraw/zinc/21/87/93/214218793.db2.gz NYGYDDFLGKFQJO-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000337690573 214218796 /nfs/dbraw/zinc/21/87/96/214218796.db2.gz NYGYDDFLGKFQJO-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@](C)(F)C2)CC1 ZINC000336268883 290011827 /nfs/dbraw/zinc/01/18/27/290011827.db2.gz UCLGVIFAFAKVOB-CYBMUJFWSA-N 2 2 257.353 0.584 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@](C)(F)C2)CC1 ZINC000336268883 290011828 /nfs/dbraw/zinc/01/18/28/290011828.db2.gz UCLGVIFAFAKVOB-CYBMUJFWSA-N 2 2 257.353 0.584 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(C(=O)OC)cn2)C1 ZINC000094763024 349574651 /nfs/dbraw/zinc/57/46/51/349574651.db2.gz ZBZXCMVNVWJOAI-LLVKDONJSA-N 2 2 263.341 0.910 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(C(=O)OC)cn2)C1 ZINC000094763024 349574654 /nfs/dbraw/zinc/57/46/54/349574654.db2.gz ZBZXCMVNVWJOAI-LLVKDONJSA-N 2 2 263.341 0.910 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)C[NH+](C)C(C)C)CCO1 ZINC000428056369 529391097 /nfs/dbraw/zinc/39/10/97/529391097.db2.gz SQLMSNDVUYLVKB-CYBMUJFWSA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)C[NH+](C)C(C)C)CCO1 ZINC000428056369 529391099 /nfs/dbraw/zinc/39/10/99/529391099.db2.gz SQLMSNDVUYLVKB-CYBMUJFWSA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@@H]1C[NH+](CCNC(=O)C[N@H+](C)C(C)C)CCO1 ZINC000428056369 529391101 /nfs/dbraw/zinc/39/11/01/529391101.db2.gz SQLMSNDVUYLVKB-CYBMUJFWSA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@@H]1C[NH+](CCNC(=O)C[N@@H+](C)C(C)C)CCO1 ZINC000428056369 529391103 /nfs/dbraw/zinc/39/11/03/529391103.db2.gz SQLMSNDVUYLVKB-CYBMUJFWSA-N 2 2 271.405 0.554 20 0 CCADLP C[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1n1cc[nH+]c1 ZINC000125637140 187193637 /nfs/dbraw/zinc/19/36/37/187193637.db2.gz AEFRVQLUMVTROY-MJBXVCDLSA-N 2 2 292.383 0.623 20 0 CCADLP C[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1n1cc[nH+]c1 ZINC000125637140 187193638 /nfs/dbraw/zinc/19/36/38/187193638.db2.gz AEFRVQLUMVTROY-MJBXVCDLSA-N 2 2 292.383 0.623 20 0 CCADLP COc1c(N)[nH+]cnc1N(C)CC1([NH+](C)C)CCC1 ZINC000097936645 349649302 /nfs/dbraw/zinc/64/93/02/349649302.db2.gz UPMFRQKZKFJQBK-UHFFFAOYSA-N 2 2 265.361 0.988 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+]2C[C@@H]3CCCC[C@H]3C2)CC1 ZINC000093187982 290648341 /nfs/dbraw/zinc/64/83/41/290648341.db2.gz UUJCSTKPXMDBEC-KBPBESRZSA-N 2 2 265.401 0.882 20 0 CCADLP CCOC(=O)CC[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000103562326 349703314 /nfs/dbraw/zinc/70/33/14/349703314.db2.gz PJPKFXYPENWETB-UHFFFAOYSA-N 2 2 299.415 0.426 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000493044533 529558333 /nfs/dbraw/zinc/55/83/33/529558333.db2.gz HORIDFCMSFSFEU-LDIIPZEWSA-N 2 2 290.367 0.506 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)NCCC[NH+]1CCOCC1 ZINC000492295252 529559077 /nfs/dbraw/zinc/55/90/77/529559077.db2.gz LTJPIWYKMPWPJT-PLNGDYQASA-N 2 2 292.383 0.755 20 0 CCADLP C[C@H](C(=O)N1CCCCCC1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107579486 349738527 /nfs/dbraw/zinc/73/85/27/349738527.db2.gz GFYOWLPBEOYDOJ-MGPQQGTHSA-N 2 2 265.401 0.929 20 0 CCADLP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccn(C)n1 ZINC000358253947 529616534 /nfs/dbraw/zinc/61/65/34/529616534.db2.gz PHSLJXWJNCBTQN-AAEUAGOBSA-N 2 2 252.362 0.527 20 0 CCADLP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccn(C)n1 ZINC000358253947 529616536 /nfs/dbraw/zinc/61/65/36/529616536.db2.gz PHSLJXWJNCBTQN-AAEUAGOBSA-N 2 2 252.362 0.527 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000126235462 187226421 /nfs/dbraw/zinc/22/64/21/187226421.db2.gz INAZGOZRWBHDJE-FRRDWIJNSA-N 2 2 269.389 0.211 20 0 CCADLP COC(=O)c1cnc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cn1 ZINC000600705944 362038176 /nfs/dbraw/zinc/03/81/76/362038176.db2.gz BSOLIWFULBCUAP-UWVGGRQHSA-N 2 2 264.329 0.432 20 0 CCADLP COC(=O)c1cnc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cn1 ZINC000600705944 362038183 /nfs/dbraw/zinc/03/81/83/362038183.db2.gz BSOLIWFULBCUAP-UWVGGRQHSA-N 2 2 264.329 0.432 20 0 CCADLP COC(=O)c1cnc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000600708178 362039343 /nfs/dbraw/zinc/03/93/43/362039343.db2.gz JJWBYKLYIQUVPD-CQSZACIVSA-N 2 2 276.340 0.449 20 0 CCADLP COC(=O)c1cnc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000600708178 362039346 /nfs/dbraw/zinc/03/93/46/362039346.db2.gz JJWBYKLYIQUVPD-CQSZACIVSA-N 2 2 276.340 0.449 20 0 CCADLP COC(=O)c1cnc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cn1 ZINC000600711798 362042091 /nfs/dbraw/zinc/04/20/91/362042091.db2.gz SKMXFCYSGGYGFJ-LLVKDONJSA-N 2 2 266.345 0.726 20 0 CCADLP COC(=O)CCNC(=O)CC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000600712622 362043884 /nfs/dbraw/zinc/04/38/84/362043884.db2.gz ZFVGKMDQEACLSV-VXGBXAGGSA-N 2 2 285.388 0.176 20 0 CCADLP COCc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)o1 ZINC000600769008 362057335 /nfs/dbraw/zinc/05/73/35/362057335.db2.gz IYUGSNLJVHFKDD-MFKMUULPSA-N 2 2 279.340 0.170 20 0 CCADLP COCc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)o1 ZINC000600769008 362057342 /nfs/dbraw/zinc/05/73/42/362057342.db2.gz IYUGSNLJVHFKDD-MFKMUULPSA-N 2 2 279.340 0.170 20 0 CCADLP CCOC(=O)C1CC[NH+](Cc2cn(CCC[NH3+])nn2)CC1 ZINC000600967235 362106079 /nfs/dbraw/zinc/10/60/79/362106079.db2.gz PGAMGAOBADBRFK-UHFFFAOYSA-N 2 2 295.387 0.402 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000617718639 365723026 /nfs/dbraw/zinc/72/30/26/365723026.db2.gz AUFATRAXUWXCBR-JHJVBQTASA-N 2 2 294.399 0.814 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000617718639 365723030 /nfs/dbraw/zinc/72/30/30/365723030.db2.gz AUFATRAXUWXCBR-JHJVBQTASA-N 2 2 294.399 0.814 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)NCC[C@H](C)[NH+](C)C ZINC000617756441 365759168 /nfs/dbraw/zinc/75/91/68/365759168.db2.gz GWEQBUQWOAYVFP-RYUDHWBXSA-N 2 2 257.378 0.164 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)NCC[C@H](C)[NH+](C)C ZINC000617756441 365759172 /nfs/dbraw/zinc/75/91/72/365759172.db2.gz GWEQBUQWOAYVFP-RYUDHWBXSA-N 2 2 257.378 0.164 20 0 CCADLP Cc1c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)ccn1C ZINC000617764111 365765953 /nfs/dbraw/zinc/76/59/53/365765953.db2.gz JIHSOWGVVGIUOT-UHFFFAOYSA-N 2 2 280.416 0.947 20 0 CCADLP Cc1c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccn1C ZINC000617764111 365765957 /nfs/dbraw/zinc/76/59/57/365765957.db2.gz JIHSOWGVVGIUOT-UHFFFAOYSA-N 2 2 280.416 0.947 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(F)cn1 ZINC000617764049 365766075 /nfs/dbraw/zinc/76/60/75/365766075.db2.gz HDKFUFHIGLNCDV-UHFFFAOYSA-N 2 2 282.363 0.834 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(F)cn1 ZINC000617764049 365766082 /nfs/dbraw/zinc/76/60/82/365766082.db2.gz HDKFUFHIGLNCDV-UHFFFAOYSA-N 2 2 282.363 0.834 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@]12C[C@H]1COC2(C)C ZINC000617763698 365767094 /nfs/dbraw/zinc/76/70/94/365767094.db2.gz XVYQSNWRQOFIQJ-BBRMVZONSA-N 2 2 297.443 0.801 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@]12C[C@H]1COC2(C)C ZINC000617763698 365767098 /nfs/dbraw/zinc/76/70/98/365767098.db2.gz XVYQSNWRQOFIQJ-BBRMVZONSA-N 2 2 297.443 0.801 20 0 CCADLP Cc1cnccc1CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765003 365768497 /nfs/dbraw/zinc/76/84/97/365768497.db2.gz PQDFUCTZFZPAPX-UHFFFAOYSA-N 2 2 292.427 0.932 20 0 CCADLP Cc1cnccc1CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765003 365768501 /nfs/dbraw/zinc/76/85/01/365768501.db2.gz PQDFUCTZFZPAPX-UHFFFAOYSA-N 2 2 292.427 0.932 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC000617766625 365772669 /nfs/dbraw/zinc/77/26/69/365772669.db2.gz RHQNOYYMCGLZIY-ZDUSSCGKSA-N 3 2 270.421 0.080 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC000617766625 365772676 /nfs/dbraw/zinc/77/26/76/365772676.db2.gz RHQNOYYMCGLZIY-ZDUSSCGKSA-N 3 2 270.421 0.080 20 0 CCADLP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000617766625 365772682 /nfs/dbraw/zinc/77/26/82/365772682.db2.gz RHQNOYYMCGLZIY-ZDUSSCGKSA-N 3 2 270.421 0.080 20 0 CCADLP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC000617766625 365772685 /nfs/dbraw/zinc/77/26/85/365772685.db2.gz RHQNOYYMCGLZIY-ZDUSSCGKSA-N 3 2 270.421 0.080 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)CO1 ZINC000617765205 365771095 /nfs/dbraw/zinc/77/10/95/365771095.db2.gz XDERVMKXVZTEGM-CHWSQXEVSA-N 2 2 271.405 0.411 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CO1 ZINC000617765205 365771098 /nfs/dbraw/zinc/77/10/98/365771098.db2.gz XDERVMKXVZTEGM-CHWSQXEVSA-N 2 2 271.405 0.411 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCc1ccncn1 ZINC000617765260 365771772 /nfs/dbraw/zinc/77/17/72/365771772.db2.gz YPUYQJMITNBORF-UHFFFAOYSA-N 2 2 293.415 0.409 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCc1ccncn1 ZINC000617765260 365771777 /nfs/dbraw/zinc/77/17/77/365771777.db2.gz YPUYQJMITNBORF-UHFFFAOYSA-N 2 2 293.415 0.409 20 0 CCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@H](F)C3)cn2)CC1 ZINC000449388707 529777905 /nfs/dbraw/zinc/77/79/05/529777905.db2.gz AUQLXWMJIFPKPL-ZDUSSCGKSA-N 2 2 279.363 0.772 20 0 CCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@H](F)C3)cn2)CC1 ZINC000449388707 529777906 /nfs/dbraw/zinc/77/79/06/529777906.db2.gz AUQLXWMJIFPKPL-ZDUSSCGKSA-N 2 2 279.363 0.772 20 0 CCADLP CN(C)c1ccc(CNC(=O)C[C@@H]2CC[NH2+]C2)c[nH+]1 ZINC000427265071 529781273 /nfs/dbraw/zinc/78/12/73/529781273.db2.gz LLBZQUZBOSAVCA-NSHDSACASA-N 2 2 262.357 0.763 20 0 CCADLP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)C[NH2+]CC2CC2)C1 ZINC000423872019 529782911 /nfs/dbraw/zinc/78/29/11/529782911.db2.gz QDBJGQJQDMJDKM-OAHLLOKOSA-N 2 2 295.427 0.555 20 0 CCADLP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)C[NH2+]CC2CC2)C1 ZINC000423872019 529782913 /nfs/dbraw/zinc/78/29/13/529782913.db2.gz QDBJGQJQDMJDKM-OAHLLOKOSA-N 2 2 295.427 0.555 20 0 CCADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)C[C@@H]3CCCC[C@@H]3[NH3+])C[C@@H]21 ZINC000423934263 529784569 /nfs/dbraw/zinc/78/45/69/529784569.db2.gz VEFOQDXVJYTMIT-ZQDZILKHSA-N 2 2 295.427 0.826 20 0 CCADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)C[C@@H]3CCCC[C@@H]3[NH3+])C[C@@H]21 ZINC000423934263 529784570 /nfs/dbraw/zinc/78/45/70/529784570.db2.gz VEFOQDXVJYTMIT-ZQDZILKHSA-N 2 2 295.427 0.826 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CC[C@H](O)C(F)(F)F)n1C ZINC000425377566 529809154 /nfs/dbraw/zinc/80/91/54/529809154.db2.gz HHRBJOWCESRZNX-VIFPVBQESA-N 2 2 280.294 0.889 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)n1C ZINC000425368868 529810393 /nfs/dbraw/zinc/81/03/93/529810393.db2.gz KVGIORDVBGXSFO-VHSXEESVSA-N 2 2 265.361 0.230 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCC[C@H](C(N)=O)C2)n1C ZINC000425358480 529810585 /nfs/dbraw/zinc/81/05/85/529810585.db2.gz QYAQDXDTUPRHFS-WDEREUQCSA-N 2 2 279.388 0.620 20 0 CCADLP CNC(=O)C1CCC([NH2+]Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000425361763 529841715 /nfs/dbraw/zinc/84/17/15/529841715.db2.gz UNQKOFLOHPWGJU-UHFFFAOYSA-N 2 2 293.415 0.881 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000423742274 529911134 /nfs/dbraw/zinc/91/11/34/529911134.db2.gz IUKKQXLEIIVNHR-QWHCGFSZSA-N 2 2 269.389 0.295 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000423746388 529911236 /nfs/dbraw/zinc/91/12/36/529911236.db2.gz RDKOQCHDIWIFRN-KFWWJZLASA-N 2 2 295.427 0.698 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000418402337 529995166 /nfs/dbraw/zinc/99/51/66/529995166.db2.gz ZCLLBYLJOUVNGD-QWHCGFSZSA-N 2 2 286.420 0.204 20 0 CCADLP CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000602019533 362459208 /nfs/dbraw/zinc/45/92/08/362459208.db2.gz FYMSZRIOZXHKLP-FMPXUHTOSA-N 2 2 282.384 0.781 20 0 CCADLP CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000602019533 362459217 /nfs/dbraw/zinc/45/92/17/362459217.db2.gz FYMSZRIOZXHKLP-FMPXUHTOSA-N 2 2 282.384 0.781 20 0 CCADLP Cc1nc2[nH]ccc2c(NC[C@]2(O)CC[N@@H+](C)C2)[nH+]1 ZINC000358333053 232082020 /nfs/dbraw/zinc/08/20/20/232082020.db2.gz FMZVVJVSMWXECH-CYBMUJFWSA-N 2 2 261.329 0.167 20 0 CCADLP Cc1nc2[nH]ccc2c(NC[C@]2(O)CC[N@H+](C)C2)[nH+]1 ZINC000358333053 232082022 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CC[NH2+][C@@H](C)C(=O)N1CC[N@@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000602502494 362648439 /nfs/dbraw/zinc/64/84/39/362648439.db2.gz LERIDDIEUJGVJR-RYUDHWBXSA-N 2 2 285.388 0.080 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=S)NCC[NH+](C)C ZINC000788332864 581107342 /nfs/dbraw/zinc/10/73/42/581107342.db2.gz LMPWDXMMODXIMD-LBPRGKRZSA-N 2 2 288.461 0.075 20 0 CCADLP CCS(=O)(=O)CC[N@H+](C)CCCn1cc[nH+]c1 ZINC000119743736 349950617 /nfs/dbraw/zinc/95/06/17/349950617.db2.gz SIKRVMHDBPHSOZ-UHFFFAOYSA-N 2 2 259.375 0.640 20 0 CCADLP CCS(=O)(=O)CC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000119743736 349950619 /nfs/dbraw/zinc/95/06/19/349950619.db2.gz SIKRVMHDBPHSOZ-UHFFFAOYSA-N 2 2 259.375 0.640 20 0 CCADLP CCN(C#N)CC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000602775054 362794656 /nfs/dbraw/zinc/79/46/56/362794656.db2.gz DZJIQMDMNGVYFA-MRXNPFEDSA-N 2 2 293.459 0.891 20 0 CCADLP CCN(C#N)CC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000602775054 362794660 /nfs/dbraw/zinc/79/46/60/362794660.db2.gz DZJIQMDMNGVYFA-MRXNPFEDSA-N 2 2 293.459 0.891 20 0 CCADLP COC(=O)[C@H](O)C1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000602800938 362808077 /nfs/dbraw/zinc/80/80/77/362808077.db2.gz ZXTHYIZKPHEQQE-CYBMUJFWSA-N 2 2 281.356 0.209 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)NCc1ccccc1F ZINC000261685034 137015347 /nfs/dbraw/zinc/01/53/47/137015347.db2.gz MVEQQVVDYXMQMD-TZMCWYRMSA-N 2 2 291.370 0.983 20 0 CCADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)NCc1ccccc1F ZINC000261685034 137015348 /nfs/dbraw/zinc/01/53/48/137015348.db2.gz MVEQQVVDYXMQMD-TZMCWYRMSA-N 2 2 291.370 0.983 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252767984 137003730 /nfs/dbraw/zinc/00/37/30/137003730.db2.gz JVJUHIFRTPSVRJ-QWRGUYRKSA-N 2 2 270.377 0.281 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252767984 137003731 /nfs/dbraw/zinc/00/37/31/137003731.db2.gz JVJUHIFRTPSVRJ-QWRGUYRKSA-N 2 2 270.377 0.281 20 0 CCADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCCCCC1 ZINC000261573048 137009266 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CS(=O)(=O)[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261781664 137019507 /nfs/dbraw/zinc/01/95/07/137019507.db2.gz NWLCWTYNEYRFCA-OLZOCXBDSA-N 2 2 274.430 0.885 20 0 CCADLP CS(=O)(=O)[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261781664 137019508 /nfs/dbraw/zinc/01/95/08/137019508.db2.gz NWLCWTYNEYRFCA-OLZOCXBDSA-N 2 2 274.430 0.885 20 0 CCADLP c1cn(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c[nH+]1 ZINC000261884102 137024125 /nfs/dbraw/zinc/02/41/25/137024125.db2.gz FSIRXVPQBQDCDZ-MGPQQGTHSA-N 3 2 264.373 0.630 20 0 CCADLP CCOC[C@@H]1CCC[N@H+](Cc2noc(C[NH3+])n2)C1 ZINC000261892003 137024674 /nfs/dbraw/zinc/02/46/74/137024674.db2.gz ZTHJEWSSPBXZLP-SNVBAGLBSA-N 2 2 254.334 0.777 20 0 CCADLP CCOC[C@@H]1CCC[N@@H+](Cc2noc(C[NH3+])n2)C1 ZINC000261892003 137024675 /nfs/dbraw/zinc/02/46/75/137024675.db2.gz ZTHJEWSSPBXZLP-SNVBAGLBSA-N 2 2 254.334 0.777 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000262160842 137028732 /nfs/dbraw/zinc/02/87/32/137028732.db2.gz UWHGTARUAXJROM-AAEUAGOBSA-N 2 2 257.378 0.341 20 0 CCADLP COC[C@H]([NH3+])C(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000262181529 137029917 /nfs/dbraw/zinc/02/99/17/137029917.db2.gz BNDLTLBXQOXPFP-NSHDSACASA-N 2 2 262.313 0.233 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)[NH+]1CCN(C)CC1 ZINC000262306401 137036419 /nfs/dbraw/zinc/03/64/19/137036419.db2.gz RNHYDAPLDCKYEQ-HZSPNIEDSA-N 2 2 282.432 0.256 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC[NH2+]1 ZINC000262323340 137037640 /nfs/dbraw/zinc/03/76/40/137037640.db2.gz DBUQONDFJCESBD-STQMWFEESA-N 2 2 283.416 0.602 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC[NH2+]1 ZINC000262323340 137037641 /nfs/dbraw/zinc/03/76/41/137037641.db2.gz DBUQONDFJCESBD-STQMWFEESA-N 2 2 283.416 0.602 20 0 CCADLP OCC1(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)COC1 ZINC000305113962 137070360 /nfs/dbraw/zinc/07/03/60/137070360.db2.gz JDIOYHGZTNHXTE-CYBMUJFWSA-N 2 2 264.325 0.544 20 0 CCADLP OCC1(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)COC1 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0.769 20 0 CCADLP C[C@@H](NC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])c1ccccc1Cl ZINC000313611387 137078485 /nfs/dbraw/zinc/07/84/85/137078485.db2.gz XHULNJFISDWWQU-MNOVXSKESA-N 2 2 299.802 0.769 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1CNCc1[nH+]cc(C)n1C ZINC000341044115 137086537 /nfs/dbraw/zinc/08/65/37/137086537.db2.gz JXZIJTCEWXEFSE-ZDUSSCGKSA-N 2 2 266.389 0.929 20 0 CCADLP COCC[N@H+]1CCC[C@H]1CNCc1[nH+]cc(C)n1C ZINC000341044115 137086538 /nfs/dbraw/zinc/08/65/38/137086538.db2.gz JXZIJTCEWXEFSE-ZDUSSCGKSA-N 2 2 266.389 0.929 20 0 CCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC)C1 ZINC000342415909 137092718 /nfs/dbraw/zinc/09/27/18/137092718.db2.gz NZXVEXPPHWMVBS-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CC)C1 ZINC000342415909 137092719 /nfs/dbraw/zinc/09/27/19/137092719.db2.gz NZXVEXPPHWMVBS-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)C1 ZINC000343457225 137136773 /nfs/dbraw/zinc/13/67/73/137136773.db2.gz WDVGMKNLYNKFIG-BZUAXINKSA-N 3 2 282.476 0.942 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)C1 ZINC000343457225 137136774 /nfs/dbraw/zinc/13/67/74/137136774.db2.gz WDVGMKNLYNKFIG-BZUAXINKSA-N 3 2 282.476 0.942 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+][C@H]2C)C[C@@H]1[NH+]1CCOCC1 ZINC000343500500 137139336 /nfs/dbraw/zinc/13/93/36/137139336.db2.gz FBZBKJQZBRIKMN-BARDWOONSA-N 2 2 295.427 0.554 20 0 CCADLP C[C@H](C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000344267948 137186818 /nfs/dbraw/zinc/18/68/18/137186818.db2.gz YLKDEEXVFYKTMR-MGPQQGTHSA-N 3 2 254.422 0.162 20 0 CCADLP C[C@H](C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000344267948 137186819 /nfs/dbraw/zinc/18/68/19/137186819.db2.gz YLKDEEXVFYKTMR-MGPQQGTHSA-N 3 2 254.422 0.162 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000344282816 137187051 /nfs/dbraw/zinc/18/70/51/137187051.db2.gz MVRFELJUWNBGBT-JYJNAYRXSA-N 3 2 282.476 0.800 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000344282816 137187052 /nfs/dbraw/zinc/18/70/52/137187052.db2.gz MVRFELJUWNBGBT-JYJNAYRXSA-N 3 2 282.476 0.800 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)CC(=O)NC(C)C)CC1 ZINC000015368363 348040071 /nfs/dbraw/zinc/04/00/71/348040071.db2.gz MNDRARXCWSXHLO-UHFFFAOYSA-N 2 2 298.431 0.043 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)CC(=O)NC(C)C)CC1 ZINC000015368363 348040075 /nfs/dbraw/zinc/04/00/75/348040075.db2.gz MNDRARXCWSXHLO-UHFFFAOYSA-N 2 2 298.431 0.043 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000036999409 348177287 /nfs/dbraw/zinc/17/72/87/348177287.db2.gz SIRKSLRJLZYJCW-GXTWGEPZSA-N 2 2 272.352 0.958 20 0 CCADLP Cc1cc(N2CCN(CC[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000035663802 348160143 /nfs/dbraw/zinc/16/01/43/348160143.db2.gz BIUXVEUPVFRFSJ-UHFFFAOYSA-N 2 2 263.389 0.989 20 0 CCADLP CC[C@@]1(C(=O)NCCCn2cc[nH+]c2)CCC[NH2+]1 ZINC000128751574 187388295 /nfs/dbraw/zinc/38/82/95/187388295.db2.gz ZXHXUYMITUTBGA-ZDUSSCGKSA-N 2 2 250.346 0.922 20 0 CCADLP C[C@H](CO)[N@@H+]1CCCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000345044218 137230282 /nfs/dbraw/zinc/23/02/82/137230282.db2.gz MWQZLGBFNVPYOL-GFCCVEGCSA-N 2 2 279.388 0.436 20 0 CCADLP C[C@H](CO)[N@H+]1CCCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000345044218 137230283 /nfs/dbraw/zinc/23/02/83/137230283.db2.gz MWQZLGBFNVPYOL-GFCCVEGCSA-N 2 2 279.388 0.436 20 0 CCADLP O=C(C[NH2+]CC1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000037611937 348192896 /nfs/dbraw/zinc/19/28/96/348192896.db2.gz FCGLALWOZHDBCB-UHFFFAOYSA-N 2 2 274.368 0.730 20 0 CCADLP CC(C)[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000037618937 348193834 /nfs/dbraw/zinc/19/38/34/348193834.db2.gz LIJAVJSUGJRYCH-UHFFFAOYSA-N 2 2 263.389 0.987 20 0 CCADLP O=C(CC[NH2+]C1CC1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000037802810 348206768 /nfs/dbraw/zinc/20/67/68/348206768.db2.gz RBYQSSZGSOUUJV-UHFFFAOYSA-N 2 2 288.395 0.868 20 0 CCADLP COCCN1CC[C@H]([NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)C1 ZINC000346346256 137280218 /nfs/dbraw/zinc/28/02/18/137280218.db2.gz XDFQDUCJLOXUMN-RDBSUJKOSA-N 2 2 255.406 0.779 20 0 CCADLP COCCN1CC[C@H]([NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)C1 ZINC000346346256 137280219 /nfs/dbraw/zinc/28/02/19/137280219.db2.gz XDFQDUCJLOXUMN-RDBSUJKOSA-N 2 2 255.406 0.779 20 0 CCADLP CCN(CCO)CC[NH2+]C1CC[NH+](CCOC)CC1 ZINC000346604615 137295123 /nfs/dbraw/zinc/29/51/23/137295123.db2.gz VDZXSASHEHEUFF-UHFFFAOYSA-N 2 2 273.421 0.001 20 0 CCADLP CC[C@@H](C(=O)N[C@@H](C)C[NH+](C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000346165054 137270886 /nfs/dbraw/zinc/27/08/86/137270886.db2.gz DMHAMCDRSUHJQJ-MJBXVCDLSA-N 2 2 285.432 0.942 20 0 CCADLP CC[C@@H](C(=O)N[C@@H](C)C[NH+](C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000346165054 137270887 /nfs/dbraw/zinc/27/08/87/137270887.db2.gz DMHAMCDRSUHJQJ-MJBXVCDLSA-N 2 2 285.432 0.942 20 0 CCADLP CC[NH+](CC)C[C@H](C)NC(=O)NCCn1cc[nH+]c1 ZINC000339442698 215176065 /nfs/dbraw/zinc/17/60/65/215176065.db2.gz PSGKHBZJACOZIV-LBPRGKRZSA-N 2 2 267.377 0.913 20 0 CCADLP Cc1nccc(N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)n1 ZINC000346993970 137314806 /nfs/dbraw/zinc/31/48/06/137314806.db2.gz BLIPEIZZUNJAPN-AWEZNQCLSA-N 2 2 275.400 0.907 20 0 CCADLP COc1ccncc1C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000347051428 137317838 /nfs/dbraw/zinc/31/78/38/137317838.db2.gz JZSGORHZTXLUJJ-UHFFFAOYSA-N 2 2 279.384 0.979 20 0 CCADLP COc1ccncc1C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000347051428 137317839 /nfs/dbraw/zinc/31/78/39/137317839.db2.gz JZSGORHZTXLUJJ-UHFFFAOYSA-N 2 2 279.384 0.979 20 0 CCADLP O[C@H](C[NH2+]CCCCn1cc[nH+]c1)Cn1cccn1 ZINC000045107042 348333807 /nfs/dbraw/zinc/33/38/07/348333807.db2.gz XTARRWFSKMGQRD-CYBMUJFWSA-N 2 2 263.345 0.511 20 0 CCADLP c1cnnc(N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000346830899 137306569 /nfs/dbraw/zinc/30/65/69/137306569.db2.gz PNGPMJVIHFGGCM-ZDUSSCGKSA-N 2 2 261.373 0.598 20 0 CCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346841769 137307500 /nfs/dbraw/zinc/30/75/00/137307500.db2.gz HCRWWFUMFNIXNL-ZIAGYGMSSA-N 2 2 294.443 0.271 20 0 CCADLP C[C@H](C(=O)NC1CC1)N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346841769 137307501 /nfs/dbraw/zinc/30/75/01/137307501.db2.gz HCRWWFUMFNIXNL-ZIAGYGMSSA-N 2 2 294.443 0.271 20 0 CCADLP COC(=O)[C@]1(C)C[C@@H](OC)C[N@@H+]1CCn1cc[nH+]c1 ZINC000602946345 362903065 /nfs/dbraw/zinc/90/30/65/362903065.db2.gz UIFNDSYICHABAZ-YPMHNXCESA-N 2 2 267.329 0.536 20 0 CCADLP COC(=O)[C@]1(C)C[C@@H](OC)C[N@H+]1CCn1cc[nH+]c1 ZINC000602946345 362903070 /nfs/dbraw/zinc/90/30/70/362903070.db2.gz UIFNDSYICHABAZ-YPMHNXCESA-N 2 2 267.329 0.536 20 0 CCADLP COC(=O)CC1(C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000602989500 362924676 /nfs/dbraw/zinc/92/46/76/362924676.db2.gz QULGPPNAUPBRCC-UHFFFAOYSA-N 2 2 297.399 0.036 20 0 CCADLP COC(=O)CC1(C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000602989500 362924680 /nfs/dbraw/zinc/92/46/80/362924680.db2.gz QULGPPNAUPBRCC-UHFFFAOYSA-N 2 2 297.399 0.036 20 0 CCADLP C[C@@H]1C[C@H](O)CN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000349689522 137399602 /nfs/dbraw/zinc/39/96/02/137399602.db2.gz DDNUNDMWHOTOBC-OCCSQVGLSA-N 2 2 298.431 0.177 20 0 CCADLP CC(=O)NC[C@@H]1CCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000347734864 137353666 /nfs/dbraw/zinc/35/36/66/137353666.db2.gz IMRFHLLBLDJZPZ-ZDUSSCGKSA-N 2 2 264.373 0.811 20 0 CCADLP CC(=O)NC[C@@H]1CCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000347734864 137353667 /nfs/dbraw/zinc/35/36/67/137353667.db2.gz IMRFHLLBLDJZPZ-ZDUSSCGKSA-N 2 2 264.373 0.811 20 0 CCADLP c1n[nH]cc1CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000347739934 137354185 /nfs/dbraw/zinc/35/41/85/137354185.db2.gz UTQAYLXLSJRJNG-AWEZNQCLSA-N 2 2 264.373 0.606 20 0 CCADLP c1n[nH]cc1CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000347739934 137354186 /nfs/dbraw/zinc/35/41/86/137354186.db2.gz UTQAYLXLSJRJNG-AWEZNQCLSA-N 2 2 264.373 0.606 20 0 CCADLP Cc1cc[nH+]cc1CCC[N@H+](CCO)CCCO ZINC000347782686 137356590 /nfs/dbraw/zinc/35/65/90/137356590.db2.gz MXZDNEQQZPPJHI-UHFFFAOYSA-N 2 2 252.358 0.999 20 0 CCADLP Cc1cc[nH+]cc1CCC[N@@H+](CCO)CCCO ZINC000347782686 137356591 /nfs/dbraw/zinc/35/65/91/137356591.db2.gz MXZDNEQQZPPJHI-UHFFFAOYSA-N 2 2 252.358 0.999 20 0 CCADLP COC[C@@](C)([NH3+])CNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000347855251 137361018 /nfs/dbraw/zinc/36/10/18/137361018.db2.gz BXAKDZYPVPRLQB-ZDUSSCGKSA-N 2 2 282.392 0.259 20 0 CCADLP C[N@@H+]1CCC[C@H](NC(=O)NCCNc2cccc[nH+]2)C1 ZINC000052501195 348510284 /nfs/dbraw/zinc/51/02/84/348510284.db2.gz LENTXKLZKLHCSG-LBPRGKRZSA-N 2 2 277.372 0.887 20 0 CCADLP C[N@H+]1CCC[C@H](NC(=O)NCCNc2cccc[nH+]2)C1 ZINC000052501195 348510287 /nfs/dbraw/zinc/51/02/87/348510287.db2.gz LENTXKLZKLHCSG-LBPRGKRZSA-N 2 2 277.372 0.887 20 0 CCADLP C[C@@]([NH3+])(C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000052881202 348516062 /nfs/dbraw/zinc/51/60/62/348516062.db2.gz ZJZRLJWQKWHHLH-HNNXBMFYSA-N 2 2 277.368 0.309 20 0 CCADLP CCCCOCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000056493502 348591137 /nfs/dbraw/zinc/59/11/37/348591137.db2.gz ZUHGUJQPABTWQX-UHFFFAOYSA-N 2 2 271.405 0.509 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000062854772 348669704 /nfs/dbraw/zinc/66/97/04/348669704.db2.gz HRKGPXXJQQKKLZ-GXTWGEPZSA-N 2 2 269.389 0.213 20 0 CCADLP CCN(CC)[C@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000062980211 348674530 /nfs/dbraw/zinc/67/45/30/348674530.db2.gz FTJNEKHOFAZFRO-AWEZNQCLSA-N 2 2 282.432 0.224 20 0 CCADLP CCN(CC)[C@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000062980211 348674531 /nfs/dbraw/zinc/67/45/31/348674531.db2.gz FTJNEKHOFAZFRO-AWEZNQCLSA-N 2 2 282.432 0.224 20 0 CCADLP O=C(C[NH+]1CCSCC1)NC1CC[NH+](C2CC2)CC1 ZINC000064508657 348701281 /nfs/dbraw/zinc/70/12/81/348701281.db2.gz LUTONBDSBDSSKL-UHFFFAOYSA-N 2 2 283.441 0.778 20 0 CCADLP CC[C@@H](O)C[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000067486405 348775803 /nfs/dbraw/zinc/77/58/03/348775803.db2.gz XMQBDAQNMXQXRQ-CYBMUJFWSA-N 2 2 264.373 0.986 20 0 CCADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cnn(C)c1 ZINC000068802242 348821904 /nfs/dbraw/zinc/82/19/04/348821904.db2.gz SEBMRPARWXDUBJ-YPMHNXCESA-N 2 2 251.378 0.317 20 0 CCADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cnn(C)c1 ZINC000068802242 348821907 /nfs/dbraw/zinc/82/19/07/348821907.db2.gz SEBMRPARWXDUBJ-YPMHNXCESA-N 2 2 251.378 0.317 20 0 CCADLP OCCCC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069804213 348861343 /nfs/dbraw/zinc/86/13/43/348861343.db2.gz AXEGXCWCNPGDIE-AWEZNQCLSA-N 2 2 256.390 0.803 20 0 CCADLP OCCCC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069804213 348861344 /nfs/dbraw/zinc/86/13/44/348861344.db2.gz AXEGXCWCNPGDIE-AWEZNQCLSA-N 2 2 256.390 0.803 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)n1C ZINC000070143961 348873752 /nfs/dbraw/zinc/87/37/52/348873752.db2.gz HIVDRQNHLVXWQX-GFCCVEGCSA-N 3 2 265.405 0.918 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)n1C ZINC000070143961 348873753 /nfs/dbraw/zinc/87/37/53/348873753.db2.gz HIVDRQNHLVXWQX-GFCCVEGCSA-N 3 2 265.405 0.918 20 0 CCADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000070143576 348873780 /nfs/dbraw/zinc/87/37/80/348873780.db2.gz BQSIZVQZILTJCD-GFCCVEGCSA-N 3 2 265.405 0.918 20 0 CCADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000070143576 348873783 /nfs/dbraw/zinc/87/37/83/348873783.db2.gz BQSIZVQZILTJCD-GFCCVEGCSA-N 3 2 265.405 0.918 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC000076113036 349070160 /nfs/dbraw/zinc/07/01/60/349070160.db2.gz HKVPRMJCGBJAIP-OKILXGFUSA-N 2 2 297.443 0.801 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC000076113036 349070165 /nfs/dbraw/zinc/07/01/65/349070165.db2.gz HKVPRMJCGBJAIP-OKILXGFUSA-N 2 2 297.443 0.801 20 0 CCADLP C[N@@H+](CC(N)=O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110169 349070444 /nfs/dbraw/zinc/07/04/44/349070444.db2.gz IHGSCYKGWNCYCG-AWEZNQCLSA-N 2 2 261.369 0.926 20 0 CCADLP C[N@H+](CC(N)=O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110169 349070445 /nfs/dbraw/zinc/07/04/45/349070445.db2.gz IHGSCYKGWNCYCG-AWEZNQCLSA-N 2 2 261.369 0.926 20 0 CCADLP C[NH+](CC(N)=O)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110169 349070447 /nfs/dbraw/zinc/07/04/47/349070447.db2.gz IHGSCYKGWNCYCG-AWEZNQCLSA-N 2 2 261.369 0.926 20 0 CCADLP C[NH+](CC(N)=O)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110169 349070448 /nfs/dbraw/zinc/07/04/48/349070448.db2.gz IHGSCYKGWNCYCG-AWEZNQCLSA-N 2 2 261.369 0.926 20 0 CCADLP C[C@H](CNc1cc[nH+]c(N(C)C)n1)C[NH+]1CCOCC1 ZINC000077226561 349103371 /nfs/dbraw/zinc/10/33/71/349103371.db2.gz IISADUHSRIQVKP-GFCCVEGCSA-N 2 2 279.388 0.923 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)[C@H]1CCCCC[NH2+]1 ZINC000080993612 349238148 /nfs/dbraw/zinc/23/81/48/349238148.db2.gz VCCSPPJKBWWNSG-GFCCVEGCSA-N 2 2 250.346 0.922 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000082315819 349298460 /nfs/dbraw/zinc/29/84/60/349298460.db2.gz SBQWDJNSNAERKF-ZDUSSCGKSA-N 2 2 274.368 0.682 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000082315819 349298461 /nfs/dbraw/zinc/29/84/61/349298461.db2.gz SBQWDJNSNAERKF-ZDUSSCGKSA-N 2 2 274.368 0.682 20 0 CCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000081433080 349264409 /nfs/dbraw/zinc/26/44/09/349264409.db2.gz TWSAQLUQGGMMNJ-OLZOCXBDSA-N 2 2 269.389 0.116 20 0 CCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000081433080 349264413 /nfs/dbraw/zinc/26/44/13/349264413.db2.gz TWSAQLUQGGMMNJ-OLZOCXBDSA-N 2 2 269.389 0.116 20 0 CCADLP CC(C)[C@H]1C[NH+](C)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000081433080 349264416 /nfs/dbraw/zinc/26/44/16/349264416.db2.gz TWSAQLUQGGMMNJ-OLZOCXBDSA-N 2 2 269.389 0.116 20 0 CCADLP CC(C)[C@H]1C[NH+](C)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000081433080 349264419 /nfs/dbraw/zinc/26/44/19/349264419.db2.gz TWSAQLUQGGMMNJ-OLZOCXBDSA-N 2 2 269.389 0.116 20 0 CCADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCNS(C)(=O)=O)C1 ZINC000081636499 349278905 /nfs/dbraw/zinc/27/89/05/349278905.db2.gz OCFLXJNKGMIDTL-CYBMUJFWSA-N 2 2 289.445 0.199 20 0 CCADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCNS(C)(=O)=O)C1 ZINC000081636499 349278908 /nfs/dbraw/zinc/27/89/08/349278908.db2.gz OCFLXJNKGMIDTL-CYBMUJFWSA-N 2 2 289.445 0.199 20 0 CCADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC000081636499 349278914 /nfs/dbraw/zinc/27/89/14/349278914.db2.gz OCFLXJNKGMIDTL-CYBMUJFWSA-N 2 2 289.445 0.199 20 0 CCADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000081636499 349278917 /nfs/dbraw/zinc/27/89/17/349278917.db2.gz OCFLXJNKGMIDTL-CYBMUJFWSA-N 2 2 289.445 0.199 20 0 CCADLP CCC[NH+]1CCC([NH2+][C@@H](C)CS(C)(=O)=O)CC1 ZINC000081899182 349287458 /nfs/dbraw/zinc/28/74/58/349287458.db2.gz ATMHCAYRNCDNAO-NSHDSACASA-N 2 2 262.419 0.884 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](CCc2ccc3c(c2)CCO3)CCO1 ZINC000088100719 349356988 /nfs/dbraw/zinc/35/69/88/349356988.db2.gz JQVIUAGAXXUDGW-CQSZACIVSA-N 2 2 262.353 0.824 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)CCO1 ZINC000088100719 349356991 /nfs/dbraw/zinc/35/69/91/349356991.db2.gz JQVIUAGAXXUDGW-CQSZACIVSA-N 2 2 262.353 0.824 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000124629691 350103187 /nfs/dbraw/zinc/10/31/87/350103187.db2.gz NQNOFTFITDSVKZ-QWRGUYRKSA-N 2 2 270.377 0.280 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000124629691 350103190 /nfs/dbraw/zinc/10/31/90/350103190.db2.gz NQNOFTFITDSVKZ-QWRGUYRKSA-N 2 2 270.377 0.280 20 0 CCADLP C[C@@H](CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)[NH+](C)C ZINC000271327873 191075523 /nfs/dbraw/zinc/07/55/23/191075523.db2.gz PTQOQLWHPFBFTF-NWDGAFQWSA-N 2 2 279.388 0.800 20 0 CCADLP COCCCNC(=O)[C@H](C)[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000128108994 350185967 /nfs/dbraw/zinc/18/59/67/350185967.db2.gz BRAZCIOXELUPIN-ZDUSSCGKSA-N 2 2 297.443 0.992 20 0 CCADLP C[C@H]([C@H](C)NC(=O)NC1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000105079656 186040363 /nfs/dbraw/zinc/04/03/63/186040363.db2.gz MQVWTOXSPKYPJB-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP CCOC(=O)CCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129196848 350207583 /nfs/dbraw/zinc/20/75/83/350207583.db2.gz WECAHZBPBLEBQU-AWEZNQCLSA-N 2 2 284.400 0.984 20 0 CCADLP COC(=O)CCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129377816 350213118 /nfs/dbraw/zinc/21/31/18/350213118.db2.gz CLOOMBQUHBMJFN-CYBMUJFWSA-N 2 2 270.373 0.594 20 0 CCADLP COC(=O)CCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129377816 350213122 /nfs/dbraw/zinc/21/31/22/350213122.db2.gz CLOOMBQUHBMJFN-CYBMUJFWSA-N 2 2 270.373 0.594 20 0 CCADLP C([C@H]1CCCO1)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129454695 350214915 /nfs/dbraw/zinc/21/49/15/350214915.db2.gz ZDZVSHWMROGLHH-ZIAGYGMSSA-N 2 2 254.374 0.820 20 0 CCADLP C([C@H]1CCCO1)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129454695 350214917 /nfs/dbraw/zinc/21/49/17/350214917.db2.gz ZDZVSHWMROGLHH-ZIAGYGMSSA-N 2 2 254.374 0.820 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)C2([NH3+])CCCCC2)C1 ZINC000091669712 180224086 /nfs/dbraw/zinc/22/40/86/180224086.db2.gz OFJSTQFLCAQLMG-NSHDSACASA-N 2 2 255.362 0.095 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)C2([NH3+])CCCCC2)C1 ZINC000091669712 180224087 /nfs/dbraw/zinc/22/40/87/180224087.db2.gz OFJSTQFLCAQLMG-NSHDSACASA-N 2 2 255.362 0.095 20 0 CCADLP O=C(NCCn1cc[nH+]c1)c1ccc2c(c1)C[NH2+]C2 ZINC000131128046 350263883 /nfs/dbraw/zinc/26/38/83/350263883.db2.gz OIEUZODUYPBGKV-UHFFFAOYSA-N 2 2 256.309 0.916 20 0 CCADLP C[C@H](O)C[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000131151702 350264928 /nfs/dbraw/zinc/26/49/28/350264928.db2.gz RGYOPEWIFOTCFL-ZFWWWQNUSA-N 2 2 266.385 0.792 20 0 CCADLP C[C@H](O)C[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000131151702 350264929 /nfs/dbraw/zinc/26/49/29/350264929.db2.gz RGYOPEWIFOTCFL-ZFWWWQNUSA-N 2 2 266.385 0.792 20 0 CCADLP C[C@H](O)C[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000131151702 350264931 /nfs/dbraw/zinc/26/49/31/350264931.db2.gz RGYOPEWIFOTCFL-ZFWWWQNUSA-N 2 2 266.385 0.792 20 0 CCADLP C[C@H](O)C[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000131151702 350264934 /nfs/dbraw/zinc/26/49/34/350264934.db2.gz RGYOPEWIFOTCFL-ZFWWWQNUSA-N 2 2 266.385 0.792 20 0 CCADLP C[NH+](C)C[C@](C)(O)CNCc1[nH+]ccn1CC(F)(F)F ZINC000131507833 350276996 /nfs/dbraw/zinc/27/69/96/350276996.db2.gz KFSCRCZWZLMCGI-LLVKDONJSA-N 2 2 294.321 0.848 20 0 CCADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000131477792 350277483 /nfs/dbraw/zinc/27/74/83/350277483.db2.gz SMZAKMZVSKSCKE-VHSXEESVSA-N 2 2 278.381 0.925 20 0 CCADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000131477792 350277484 /nfs/dbraw/zinc/27/74/84/350277484.db2.gz SMZAKMZVSKSCKE-VHSXEESVSA-N 2 2 278.381 0.925 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000134486744 350365981 /nfs/dbraw/zinc/36/59/81/350365981.db2.gz ZJLRHIWPEDOQGY-NEPJUHHUSA-N 2 2 250.346 0.778 20 0 CCADLP CC[C@@]1(C(=O)N2CC[NH+](CCOC)CC2)CCC[NH2+]1 ZINC000134557719 350368850 /nfs/dbraw/zinc/36/88/50/350368850.db2.gz ZQFCSTLTCGARTQ-AWEZNQCLSA-N 2 2 269.389 0.309 20 0 CCADLP CC[C@@]1(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CCC[NH2+]1 ZINC000134560623 350369482 /nfs/dbraw/zinc/36/94/82/350369482.db2.gz QJSNRAKIDQCVBF-ZBFHGGJFSA-N 2 2 297.443 0.992 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[NH+](CC2CC2)CC1 ZINC000134841851 350377803 /nfs/dbraw/zinc/37/78/03/350377803.db2.gz JDQZHDDTUHMCRT-UHFFFAOYSA-N 2 2 263.345 0.599 20 0 CCADLP COc1c(N)[nH+]cnc1NC[C@@H]1CCC[N@H+](C)C1 ZINC000134865491 350377841 /nfs/dbraw/zinc/37/78/41/350377841.db2.gz QBRWPEUCKSUWGH-VIFPVBQESA-N 2 2 251.334 0.821 20 0 CCADLP COc1c(N)[nH+]cnc1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000134865491 350377844 /nfs/dbraw/zinc/37/78/44/350377844.db2.gz QBRWPEUCKSUWGH-VIFPVBQESA-N 2 2 251.334 0.821 20 0 CCADLP COc1c(N)nc[nH+]c1NC[C@@H]1CCC[N@H+](C)C1 ZINC000134865491 350377848 /nfs/dbraw/zinc/37/78/48/350377848.db2.gz QBRWPEUCKSUWGH-VIFPVBQESA-N 2 2 251.334 0.821 20 0 CCADLP COc1c(N)nc[nH+]c1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000134865491 350377851 /nfs/dbraw/zinc/37/78/51/350377851.db2.gz QBRWPEUCKSUWGH-VIFPVBQESA-N 2 2 251.334 0.821 20 0 CCADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCCOc1ccccc1 ZINC000107574480 186179273 /nfs/dbraw/zinc/17/92/73/186179273.db2.gz WWENSCVHVAUNPP-OKILXGFUSA-N 2 2 289.379 0.333 20 0 CCADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCCOc1ccccc1 ZINC000107574480 186179274 /nfs/dbraw/zinc/17/92/74/186179274.db2.gz WWENSCVHVAUNPP-OKILXGFUSA-N 2 2 289.379 0.333 20 0 CCADLP CC(C)[NH2+]C1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000108369800 186213849 /nfs/dbraw/zinc/21/38/49/186213849.db2.gz VXHCUNULDGWYPK-UHFFFAOYSA-N 2 2 268.361 0.001 20 0 CCADLP COCC[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000155349183 350616699 /nfs/dbraw/zinc/61/66/99/350616699.db2.gz PKQYNFYEPNCNQR-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP COCC[C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000155349183 350616700 /nfs/dbraw/zinc/61/67/00/350616700.db2.gz PKQYNFYEPNCNQR-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP CNC(=O)C[NH+]1CCC(Nc2cc[nH+]c(C3CC3)n2)CC1 ZINC000110195914 186288077 /nfs/dbraw/zinc/28/80/77/186288077.db2.gz MKUOZHLEKCSYSJ-UHFFFAOYSA-N 2 2 289.383 0.976 20 0 CCADLP CNC(=O)NC(=O)CC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156381740 350629061 /nfs/dbraw/zinc/62/90/61/350629061.db2.gz QQOFXPQPHURKRQ-LBPRGKRZSA-N 2 2 292.339 0.380 20 0 CCADLP CNC(=O)NC(=O)CC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156381740 350629065 /nfs/dbraw/zinc/62/90/65/350629065.db2.gz QQOFXPQPHURKRQ-LBPRGKRZSA-N 2 2 292.339 0.380 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000163230570 350762854 /nfs/dbraw/zinc/76/28/54/350762854.db2.gz SQAOEQMAZVPPHI-NXEZZACHSA-N 2 2 270.377 0.280 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000163230570 350762855 /nfs/dbraw/zinc/76/28/55/350762855.db2.gz SQAOEQMAZVPPHI-NXEZZACHSA-N 2 2 270.377 0.280 20 0 CCADLP C[N@@H+]1CCN(C(=O)c2ccc(-n3cccn3)cc2)[C@@H](C[NH3+])C1 ZINC000162352206 350741722 /nfs/dbraw/zinc/74/17/22/350741722.db2.gz LZDWPYJRQQGMHS-HNNXBMFYSA-N 2 2 299.378 0.587 20 0 CCADLP C[N@H+]1CCN(C(=O)c2ccc(-n3cccn3)cc2)[C@@H](C[NH3+])C1 ZINC000162352206 350741725 /nfs/dbraw/zinc/74/17/25/350741725.db2.gz LZDWPYJRQQGMHS-HNNXBMFYSA-N 2 2 299.378 0.587 20 0 CCADLP C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH3+] ZINC000163551272 350767936 /nfs/dbraw/zinc/76/79/36/350767936.db2.gz LTCALWRECUGFRF-VXGBXAGGSA-N 2 2 250.346 0.717 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1COCC[NH2+]1)c1cccc(F)c1 ZINC000163591241 350769041 /nfs/dbraw/zinc/76/90/41/350769041.db2.gz MWQFZWGCBMEVID-KGLIPLIRSA-N 2 2 295.358 0.533 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@H]([NH3+])[C@@H](C)CC)CC1 ZINC000164472947 350780183 /nfs/dbraw/zinc/78/01/83/350780183.db2.gz MWTGNZCNGOHPCL-QWHCGFSZSA-N 2 2 271.405 0.541 20 0 CCADLP CC[NH+](CC)CCC[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000167724759 350813516 /nfs/dbraw/zinc/81/35/16/350813516.db2.gz UBJUABNMFVMRKE-LLVKDONJSA-N 2 2 250.408 0.741 20 0 CCADLP C[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000168989042 350834191 /nfs/dbraw/zinc/83/41/91/350834191.db2.gz WTEMHGRHDAOFAZ-QWHCGFSZSA-N 2 2 291.399 0.056 20 0 CCADLP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000171286993 350898304 /nfs/dbraw/zinc/89/83/04/350898304.db2.gz KUNODLQNPKBKIZ-OAHLLOKOSA-N 2 2 291.395 0.809 20 0 CCADLP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000171286993 350898307 /nfs/dbraw/zinc/89/83/07/350898307.db2.gz KUNODLQNPKBKIZ-OAHLLOKOSA-N 2 2 291.395 0.809 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NCC(=O)OC)C1 ZINC000173790009 351055261 /nfs/dbraw/zinc/05/52/61/351055261.db2.gz YYQLVPBEQHWKDR-QWHCGFSZSA-N 2 2 299.415 0.328 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)C(=O)NCC(=O)OC)C1 ZINC000173790009 351055264 /nfs/dbraw/zinc/05/52/64/351055264.db2.gz YYQLVPBEQHWKDR-QWHCGFSZSA-N 2 2 299.415 0.328 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C1 ZINC000174223316 351076095 /nfs/dbraw/zinc/07/60/95/351076095.db2.gz AGDMKVFIKJYGOV-RYUDHWBXSA-N 2 2 284.404 0.494 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NC)C1 ZINC000174223316 351076097 /nfs/dbraw/zinc/07/60/97/351076097.db2.gz AGDMKVFIKJYGOV-RYUDHWBXSA-N 2 2 284.404 0.494 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000174505164 351088574 /nfs/dbraw/zinc/08/85/74/351088574.db2.gz AGSCAUFOEWDOIU-ZDUSSCGKSA-N 2 2 288.351 0.324 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000174505164 351088575 /nfs/dbraw/zinc/08/85/75/351088575.db2.gz AGSCAUFOEWDOIU-ZDUSSCGKSA-N 2 2 288.351 0.324 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000178667497 351239384 /nfs/dbraw/zinc/23/93/84/351239384.db2.gz XTVAFUCOKZESIT-KGLIPLIRSA-N 3 2 282.432 0.223 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000178667497 351239387 /nfs/dbraw/zinc/23/93/87/351239387.db2.gz XTVAFUCOKZESIT-KGLIPLIRSA-N 3 2 282.432 0.223 20 0 CCADLP COC(=O)[C@H]([NH3+])Cc1cn(Cc2ccc(C)[nH+]c2C)nn1 ZINC000603237103 363017120 /nfs/dbraw/zinc/01/71/20/363017120.db2.gz ZGHIGPDJADKWJA-CYBMUJFWSA-N 2 2 289.339 0.381 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000178744678 351243669 /nfs/dbraw/zinc/24/36/69/351243669.db2.gz NEVMHVAJXAKWRO-LLVKDONJSA-N 2 2 257.378 0.069 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000178744678 351243674 /nfs/dbraw/zinc/24/36/74/351243674.db2.gz NEVMHVAJXAKWRO-LLVKDONJSA-N 2 2 257.378 0.069 20 0 CCADLP CSCC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000178763953 351244416 /nfs/dbraw/zinc/24/44/16/351244416.db2.gz OYWXFECHVRXPNN-LLVKDONJSA-N 2 2 289.445 0.294 20 0 CCADLP CSCC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000178763953 351244419 /nfs/dbraw/zinc/24/44/19/351244419.db2.gz OYWXFECHVRXPNN-LLVKDONJSA-N 2 2 289.445 0.294 20 0 CCADLP C[C@H](Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)C(N)=O ZINC000178853425 351249676 /nfs/dbraw/zinc/24/96/76/351249676.db2.gz FWEYRTXEPOXMOK-QMMMGPOBSA-N 2 2 283.295 0.496 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000178883793 351251213 /nfs/dbraw/zinc/25/12/13/351251213.db2.gz SXVHITICIPVTBO-NSHDSACASA-N 2 2 296.440 0.951 20 0 CCADLP CCO[C@@H](C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177144877 351195089 /nfs/dbraw/zinc/19/50/89/351195089.db2.gz UUKVTWILDMSAMJ-LBPRGKRZSA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@@H](C)C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000180238471 351282598 /nfs/dbraw/zinc/28/25/98/351282598.db2.gz OUNOVZBBYDKDQP-KGLIPLIRSA-N 2 2 283.416 0.555 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000180505872 351287965 /nfs/dbraw/zinc/28/79/65/351287965.db2.gz WCZLIMUPOBBDDA-OAHLLOKOSA-N 3 2 294.443 0.178 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000180505872 351287967 /nfs/dbraw/zinc/28/79/67/351287967.db2.gz WCZLIMUPOBBDDA-OAHLLOKOSA-N 3 2 294.443 0.178 20 0 CCADLP CC[C@@H](C)[C@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181035657 351300033 /nfs/dbraw/zinc/30/00/33/351300033.db2.gz RACUZVNJKSKARS-QLFBSQMISA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](CNc2cc[nH+]cc2C(N)=O)C1 ZINC000184041353 351399617 /nfs/dbraw/zinc/39/96/17/351399617.db2.gz UXWJITSLIFRZPE-LBPRGKRZSA-N 2 2 292.383 0.949 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](CNc2cc[nH+]cc2C(N)=O)C1 ZINC000184041353 351399624 /nfs/dbraw/zinc/39/96/24/351399624.db2.gz UXWJITSLIFRZPE-LBPRGKRZSA-N 2 2 292.383 0.949 20 0 CCADLP C[N@H+](CCO)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188275546 351584425 /nfs/dbraw/zinc/58/44/25/351584425.db2.gz VTHPHHXOAFWSAD-OAHLLOKOSA-N 2 2 264.369 0.548 20 0 CCADLP C[N@@H+](CCO)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188275546 351584428 /nfs/dbraw/zinc/58/44/28/351584428.db2.gz VTHPHHXOAFWSAD-OAHLLOKOSA-N 2 2 264.369 0.548 20 0 CCADLP C[NH+](CCO)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188275546 351584432 /nfs/dbraw/zinc/58/44/32/351584432.db2.gz VTHPHHXOAFWSAD-OAHLLOKOSA-N 2 2 264.369 0.548 20 0 CCADLP C[NH+](CCO)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188275546 351584434 /nfs/dbraw/zinc/58/44/34/351584434.db2.gz VTHPHHXOAFWSAD-OAHLLOKOSA-N 2 2 264.369 0.548 20 0 CCADLP CNC(=O)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188301683 351585866 /nfs/dbraw/zinc/58/58/66/351585866.db2.gz AILWXLBNBJCFES-MRXNPFEDSA-N 2 2 291.395 0.301 20 0 CCADLP CNC(=O)C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188301683 351585868 /nfs/dbraw/zinc/58/58/68/351585868.db2.gz AILWXLBNBJCFES-MRXNPFEDSA-N 2 2 291.395 0.301 20 0 CCADLP CNC(=O)C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188301683 351585870 /nfs/dbraw/zinc/58/58/70/351585870.db2.gz AILWXLBNBJCFES-MRXNPFEDSA-N 2 2 291.395 0.301 20 0 CCADLP CNC(=O)C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188301683 351585871 /nfs/dbraw/zinc/58/58/71/351585871.db2.gz AILWXLBNBJCFES-MRXNPFEDSA-N 2 2 291.395 0.301 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000618554651 366046301 /nfs/dbraw/zinc/04/63/01/366046301.db2.gz WUXLIQHCIIKAQL-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000618554651 366046306 /nfs/dbraw/zinc/04/63/06/366046306.db2.gz WUXLIQHCIIKAQL-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H](C[NH2+][C@H]1CCOC[C@@H]1C)C[NH+]1CCOCC1 ZINC000192592039 351791333 /nfs/dbraw/zinc/79/13/33/351791333.db2.gz UVFODIAFYUXQKF-RDBSUJKOSA-N 2 2 256.390 0.969 20 0 CCADLP C[C@@H]([NH3+])CCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000193302665 351821411 /nfs/dbraw/zinc/82/14/11/351821411.db2.gz DDQRUJJFOYZOTH-OLZOCXBDSA-N 2 2 269.389 0.437 20 0 CCADLP C[NH2+]CC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000193129173 351812543 /nfs/dbraw/zinc/81/25/43/351812543.db2.gz PFHCGXWCYXCNGB-UHFFFAOYSA-N 2 2 268.386 0.397 20 0 CCADLP C[NH2+]CC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000193129173 351812545 /nfs/dbraw/zinc/81/25/45/351812545.db2.gz PFHCGXWCYXCNGB-UHFFFAOYSA-N 2 2 268.386 0.397 20 0 CCADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)NCCn3cc[nH+]c3)C2)C1 ZINC000291765607 198085494 /nfs/dbraw/zinc/08/54/94/198085494.db2.gz VGEFOOJQLATGAR-CQSZACIVSA-N 2 2 277.372 0.620 20 0 CCADLP C[N@H+]1CC[C@@]2(CCN(C(=O)NCCn3cc[nH+]c3)C2)C1 ZINC000291765607 198085495 /nfs/dbraw/zinc/08/54/95/198085495.db2.gz VGEFOOJQLATGAR-CQSZACIVSA-N 2 2 277.372 0.620 20 0 CCADLP C[N@@H+]1CCN(Cc2cc(O)cc(F)c2)[C@@H](C[NH3+])C1 ZINC000223561150 351987675 /nfs/dbraw/zinc/98/76/75/351987675.db2.gz UOSVFUSXKUDLSV-LBPRGKRZSA-N 2 2 253.321 0.606 20 0 CCADLP C[N@H+]1CCN(Cc2cc(O)cc(F)c2)[C@@H](C[NH3+])C1 ZINC000223561150 351987678 /nfs/dbraw/zinc/98/76/78/351987678.db2.gz UOSVFUSXKUDLSV-LBPRGKRZSA-N 2 2 253.321 0.606 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000226677535 352031498 /nfs/dbraw/zinc/03/14/98/352031498.db2.gz OBSAGELUQIAOTE-MNOVXSKESA-N 2 2 270.377 0.152 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000226677535 352031503 /nfs/dbraw/zinc/03/15/03/352031503.db2.gz OBSAGELUQIAOTE-MNOVXSKESA-N 2 2 270.377 0.152 20 0 CCADLP C[N@H+](CC(=O)NC1CCOCC1)[C@@H]1CCC[NH2+]CC1 ZINC000231669011 352131065 /nfs/dbraw/zinc/13/10/65/352131065.db2.gz VXMRJTVQCQVEOC-CYBMUJFWSA-N 2 2 269.389 0.356 20 0 CCADLP C[N@@H+](CC(=O)NC1CCOCC1)[C@@H]1CCC[NH2+]CC1 ZINC000231669011 352131071 /nfs/dbraw/zinc/13/10/71/352131071.db2.gz VXMRJTVQCQVEOC-CYBMUJFWSA-N 2 2 269.389 0.356 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccccc1 ZINC000235105779 352180096 /nfs/dbraw/zinc/18/00/96/352180096.db2.gz LJLGRFZKUNXYJF-OCCSQVGLSA-N 2 2 261.369 0.891 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccccc1 ZINC000235105779 352180099 /nfs/dbraw/zinc/18/00/99/352180099.db2.gz LJLGRFZKUNXYJF-OCCSQVGLSA-N 2 2 261.369 0.891 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000232115587 352140479 /nfs/dbraw/zinc/14/04/79/352140479.db2.gz IHXMITCYYSWMMM-CYBMUJFWSA-N 2 2 297.424 0.756 20 0 CCADLP C[C@H](CNC(=O)c1csc(C[NH3+])n1)C[NH+]1CCOCC1 ZINC000237495168 352267927 /nfs/dbraw/zinc/26/79/27/352267927.db2.gz AAXCNYKHYXFDLN-SNVBAGLBSA-N 2 2 298.412 0.300 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@H]1CC12CC[NH2+]CC2)[NH+]1CCOCC1 ZINC000237511471 352269206 /nfs/dbraw/zinc/26/92/06/352269206.db2.gz ZVVOCSLPYYDWRT-BFHYXJOUSA-N 2 2 295.427 0.602 20 0 CCADLP C[C@@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)Cn1cc[nH+]c1 ZINC000237585787 352272728 /nfs/dbraw/zinc/27/27/28/352272728.db2.gz KUVBFGWNRURIQU-AAEUAGOBSA-N 2 2 250.346 0.635 20 0 CCADLP C[C@@H](NC(=O)c1csc(C[NH3+])n1)[C@@H](C)[NH+]1CCOCC1 ZINC000237590560 352273946 /nfs/dbraw/zinc/27/39/46/352273946.db2.gz CHZAIRXTTKGVMZ-NXEZZACHSA-N 2 2 298.412 0.441 20 0 CCADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@](C)(O)CO ZINC000684536406 545698502 /nfs/dbraw/zinc/69/85/02/545698502.db2.gz DBPKPPAHRICCDL-VNQPRFMTSA-N 2 2 278.396 0.840 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@](C)(O)CO ZINC000684536406 545698506 /nfs/dbraw/zinc/69/85/06/545698506.db2.gz DBPKPPAHRICCDL-VNQPRFMTSA-N 2 2 278.396 0.840 20 0 CCADLP NC(=O)c1cccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000237735927 352281224 /nfs/dbraw/zinc/28/12/24/352281224.db2.gz SWVFOACCBJFUJR-CQSZACIVSA-N 2 2 277.368 0.332 20 0 CCADLP [NH3+][C@@H](C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1 ZINC000237825406 352284635 /nfs/dbraw/zinc/28/46/35/352284635.db2.gz PAHKDJVLCGHDFA-HUUCEWRRSA-N 2 2 289.379 0.666 20 0 CCADLP [NH3+][C@@H](C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccccc1 ZINC000237825406 352284638 /nfs/dbraw/zinc/28/46/38/352284638.db2.gz PAHKDJVLCGHDFA-HUUCEWRRSA-N 2 2 289.379 0.666 20 0 CCADLP O=C(NCc1cccnc1-n1cc[nH+]c1)[C@@H]1CSC[NH2+]1 ZINC000238041553 352295715 /nfs/dbraw/zinc/29/57/15/352295715.db2.gz FEXDOZNYGXMPDA-NSHDSACASA-N 2 2 289.364 0.546 20 0 CCADLP Nc1ccc(NC(=O)C[NH2+]C[C@H]2CCCO2)c[nH+]1 ZINC000238140681 352299880 /nfs/dbraw/zinc/29/98/80/352299880.db2.gz APBNDVRJAXPORI-SNVBAGLBSA-N 2 2 250.302 0.371 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCCC[C@H]1O ZINC000245554670 352328965 /nfs/dbraw/zinc/32/89/65/352328965.db2.gz SKDXNJPSQPRRNC-ZIAGYGMSSA-N 2 2 283.416 0.243 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCCC[C@H]1O ZINC000245554670 352328969 /nfs/dbraw/zinc/32/89/69/352328969.db2.gz SKDXNJPSQPRRNC-ZIAGYGMSSA-N 2 2 283.416 0.243 20 0 CCADLP OC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000245713471 352334612 /nfs/dbraw/zinc/33/46/12/352334612.db2.gz PRSYTWZNEAGVJL-LSDHHAIUSA-N 2 2 273.336 0.800 20 0 CCADLP OC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000245713471 352334615 /nfs/dbraw/zinc/33/46/15/352334615.db2.gz PRSYTWZNEAGVJL-LSDHHAIUSA-N 2 2 273.336 0.800 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)CC[N@@H+]1C ZINC000246378983 352363344 /nfs/dbraw/zinc/36/33/44/352363344.db2.gz JYDXCTMZNLDKDE-DYEKYZERSA-N 2 2 291.399 0.598 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)CC[N@H+]1C ZINC000246378983 352363347 /nfs/dbraw/zinc/36/33/47/352363347.db2.gz JYDXCTMZNLDKDE-DYEKYZERSA-N 2 2 291.399 0.598 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000248185198 352433863 /nfs/dbraw/zinc/43/38/63/352433863.db2.gz XFDOIOXTCPBCQH-RBSFLKMASA-N 3 2 268.449 0.695 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000248185198 352433865 /nfs/dbraw/zinc/43/38/65/352433865.db2.gz XFDOIOXTCPBCQH-RBSFLKMASA-N 3 2 268.449 0.695 20 0 CCADLP NS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000250104192 352503049 /nfs/dbraw/zinc/50/30/49/352503049.db2.gz ZBCDCYYIJUJDFR-QWRGUYRKSA-N 2 2 299.396 0.643 20 0 CCADLP NS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)o1 ZINC000250104192 352503053 /nfs/dbraw/zinc/50/30/53/352503053.db2.gz ZBCDCYYIJUJDFR-QWRGUYRKSA-N 2 2 299.396 0.643 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000250625449 352507290 /nfs/dbraw/zinc/50/72/90/352507290.db2.gz WHGOYYZMFWLDNU-TUAOUCFPSA-N 2 2 262.357 0.957 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)NC(=O)NC(C)(C)C)CC[C@H]1[NH3+] ZINC000251917731 352512649 /nfs/dbraw/zinc/51/26/49/352512649.db2.gz YGDCJYZYBMQBBT-GHMZBOCLSA-N 2 2 284.404 0.670 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)CC[C@H]1[NH3+] ZINC000251917731 352512655 /nfs/dbraw/zinc/51/26/55/352512655.db2.gz YGDCJYZYBMQBBT-GHMZBOCLSA-N 2 2 284.404 0.670 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252413787 352513638 /nfs/dbraw/zinc/51/36/38/352513638.db2.gz FKNTUPMKQXSAAP-CHWSQXEVSA-N 2 2 296.415 0.686 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252413787 352513641 /nfs/dbraw/zinc/51/36/41/352513641.db2.gz FKNTUPMKQXSAAP-CHWSQXEVSA-N 2 2 296.415 0.686 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252413788 352513810 /nfs/dbraw/zinc/51/38/10/352513810.db2.gz FKNTUPMKQXSAAP-QWHCGFSZSA-N 2 2 296.415 0.686 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252413788 352513813 /nfs/dbraw/zinc/51/38/13/352513813.db2.gz FKNTUPMKQXSAAP-QWHCGFSZSA-N 2 2 296.415 0.686 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000262679393 352589909 /nfs/dbraw/zinc/58/99/09/352589909.db2.gz VVTUCXHWFUSDCK-SRVKXCTJSA-N 2 2 257.378 0.067 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H]1CC[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000262683522 352589934 /nfs/dbraw/zinc/58/99/34/352589934.db2.gz ZATLJXYXQUJQBR-LOWDOPEQSA-N 2 2 269.389 0.339 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000264409630 352595410 /nfs/dbraw/zinc/59/54/10/352595410.db2.gz ZICOIPCDSXUICD-UHFFFAOYSA-N 2 2 265.357 0.983 20 0 CCADLP CS(=O)(=O)[C@H]1CCCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261632722 352562439 /nfs/dbraw/zinc/56/24/39/352562439.db2.gz CSBGXKHHOHSGFW-STQMWFEESA-N 2 2 274.430 0.885 20 0 CCADLP CS(=O)(=O)[C@H]1CCCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261632722 352562443 /nfs/dbraw/zinc/56/24/43/352562443.db2.gz CSBGXKHHOHSGFW-STQMWFEESA-N 2 2 274.430 0.885 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000261603550 352562597 /nfs/dbraw/zinc/56/25/97/352562597.db2.gz QTLZMTTXDYQFSR-MCIONIFRSA-N 2 2 265.401 0.929 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000261603550 352562599 /nfs/dbraw/zinc/56/25/99/352562599.db2.gz QTLZMTTXDYQFSR-MCIONIFRSA-N 2 2 265.401 0.929 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000262141724 352582325 /nfs/dbraw/zinc/58/23/25/352582325.db2.gz PGDCPTXRGOCGQQ-SCRDCRAPSA-N 2 2 299.415 0.456 20 0 CCADLP C[C@H](C[NH3+])NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000418514421 234149147 /nfs/dbraw/zinc/14/91/47/234149147.db2.gz OIXCHHLGDPEREL-CHWSQXEVSA-N 2 2 284.404 0.230 20 0 CCADLP [NH3+]CCc1nc(C(=O)NCCc2[nH]cc[nH+]2)cs1 ZINC000139611812 187906855 /nfs/dbraw/zinc/90/68/55/187906855.db2.gz VBTMDNSYDCWSBE-UHFFFAOYSA-N 2 2 265.342 0.340 20 0 CCADLP CC[N@H+](CCn1cc[nH+]c1C)CCS(C)(=O)=O ZINC000270924458 353003545 /nfs/dbraw/zinc/00/35/45/353003545.db2.gz VVRYDSPKOZPFAL-UHFFFAOYSA-N 2 2 259.375 0.558 20 0 CCADLP CC[N@@H+](CCn1cc[nH+]c1C)CCS(C)(=O)=O ZINC000270924458 353003546 /nfs/dbraw/zinc/00/35/46/353003546.db2.gz VVRYDSPKOZPFAL-UHFFFAOYSA-N 2 2 259.375 0.558 20 0 CCADLP CCc1cc(NC[C@H](O)C[NH+]2CCOCC2)nc(C)[nH+]1 ZINC000272811277 353096544 /nfs/dbraw/zinc/09/65/44/353096544.db2.gz COPRADYDCNOEQL-ZDUSSCGKSA-N 2 2 280.372 0.452 20 0 CCADLP Cc1nc(N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)cc[nH+]1 ZINC000276108759 353207527 /nfs/dbraw/zinc/20/75/27/353207527.db2.gz LLXIAZTWGVHPGH-GHMZBOCLSA-N 2 2 250.346 0.676 20 0 CCADLP Cc1nc(N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)cc[nH+]1 ZINC000276108759 353207528 /nfs/dbraw/zinc/20/75/28/353207528.db2.gz LLXIAZTWGVHPGH-GHMZBOCLSA-N 2 2 250.346 0.676 20 0 CCADLP CO[C@@H](CC(C)C)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000419178589 234323607 /nfs/dbraw/zinc/32/36/07/234323607.db2.gz CBENGCJLLPZQIP-AWEZNQCLSA-N 2 2 285.432 0.753 20 0 CCADLP CS(=O)(=O)[C@@H]1CCCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000277650553 353256253 /nfs/dbraw/zinc/25/62/53/353256253.db2.gz CXJVPYSCMRBXAV-GFCCVEGCSA-N 2 2 271.386 0.782 20 0 CCADLP CS(=O)(=O)[C@@H]1CCCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000277650553 353256257 /nfs/dbraw/zinc/25/62/57/353256257.db2.gz CXJVPYSCMRBXAV-GFCCVEGCSA-N 2 2 271.386 0.782 20 0 CCADLP C[NH+](C)CCNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000278498924 353302673 /nfs/dbraw/zinc/30/26/73/353302673.db2.gz ZNWPYKRWALKMHQ-GFCCVEGCSA-N 2 2 279.388 0.801 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000280451555 353363311 /nfs/dbraw/zinc/36/33/11/353363311.db2.gz GHZILESCPZYKTF-UHFFFAOYSA-N 2 2 294.399 0.533 20 0 CCADLP Cc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)nn1C ZINC000282374165 353418185 /nfs/dbraw/zinc/41/81/85/353418185.db2.gz WTPLLZPVIVMYHI-OCCSQVGLSA-N 2 2 293.415 0.719 20 0 CCADLP Cc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)nn1C ZINC000282374165 353418186 /nfs/dbraw/zinc/41/81/86/353418186.db2.gz WTPLLZPVIVMYHI-OCCSQVGLSA-N 2 2 293.415 0.719 20 0 CCADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(=O)[nH]n1 ZINC000286183787 353567281 /nfs/dbraw/zinc/56/72/81/353567281.db2.gz QYEDOLBEJRDOHD-OUJBWJOFSA-N 2 2 262.357 0.903 20 0 CCADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(=O)[nH]n1 ZINC000286183787 353567282 /nfs/dbraw/zinc/56/72/82/353567282.db2.gz QYEDOLBEJRDOHD-OUJBWJOFSA-N 2 2 262.357 0.903 20 0 CCADLP CCc1nc(N2CC[NH+](C[C@@H](C)O)CC2)cc(C)[nH+]1 ZINC000286662251 353602670 /nfs/dbraw/zinc/60/26/70/353602670.db2.gz MBFGYBUMELMYHX-GFCCVEGCSA-N 2 2 264.373 0.850 20 0 CCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Cn1cc[nH+]c1 ZINC000287440582 353647076 /nfs/dbraw/zinc/64/70/76/353647076.db2.gz RARBZRRZDVAXBK-QWHCGFSZSA-N 2 2 278.356 0.205 20 0 CCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000655463007 412582697 /nfs/dbraw/zinc/58/26/97/412582697.db2.gz BITWJUIBXQCQLT-UPJWGTAASA-N 2 2 274.368 0.656 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+](C)C[C@@H](O)Cc1ccccc1)C1CC1 ZINC000293504124 353816413 /nfs/dbraw/zinc/81/64/13/353816413.db2.gz ZXRFEWPBWVZBRK-IRXDYDNUSA-N 2 2 292.423 0.977 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+](C)C[C@@H](O)Cc1ccccc1)C1CC1 ZINC000293504124 353816416 /nfs/dbraw/zinc/81/64/16/353816416.db2.gz ZXRFEWPBWVZBRK-IRXDYDNUSA-N 2 2 292.423 0.977 20 0 CCADLP C[NH+](C[C@@H](O)Cc1ccccc1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000293504124 353816420 /nfs/dbraw/zinc/81/64/20/353816420.db2.gz ZXRFEWPBWVZBRK-IRXDYDNUSA-N 2 2 292.423 0.977 20 0 CCADLP C[NH+](C[C@@H](O)Cc1ccccc1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000293504124 353816422 /nfs/dbraw/zinc/81/64/22/353816422.db2.gz ZXRFEWPBWVZBRK-IRXDYDNUSA-N 2 2 292.423 0.977 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000299081800 353989606 /nfs/dbraw/zinc/98/96/06/353989606.db2.gz YMWGNGCERGHXJE-CQSZACIVSA-N 2 2 292.383 0.515 20 0 CCADLP C[C@@H](NC(=O)NCc1[nH+]ccn1C)C1CC[NH+](C)CC1 ZINC000606670362 363301905 /nfs/dbraw/zinc/30/19/05/363301905.db2.gz FFRQQKMPEJPGFA-LLVKDONJSA-N 2 2 279.388 0.950 20 0 CCADLP CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@H](C[NH3+])C1CC1 ZINC000655476589 412586511 /nfs/dbraw/zinc/58/65/11/412586511.db2.gz VBWYPKKCFKUFID-VXGBXAGGSA-N 2 2 262.357 0.641 20 0 CCADLP CC(C)OC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000304352639 354114546 /nfs/dbraw/zinc/11/45/46/354114546.db2.gz VTWNQQHMMRFTHI-CABCVRRESA-N 2 2 286.416 0.426 20 0 CCADLP CC(C)OC[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000304352639 354114548 /nfs/dbraw/zinc/11/45/48/354114548.db2.gz VTWNQQHMMRFTHI-CABCVRRESA-N 2 2 286.416 0.426 20 0 CCADLP CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655476132 412586828 /nfs/dbraw/zinc/58/68/28/412586828.db2.gz NDKVZYUHQFLDFD-GHMZBOCLSA-N 2 2 264.373 0.935 20 0 CCADLP CCn1nc(C)c(C[NH2+]C[C@@](C)(O)C[NH+](C)C)c1C ZINC000305223848 354140085 /nfs/dbraw/zinc/14/00/85/354140085.db2.gz NHFMPEIVLOWGIB-CQSZACIVSA-N 2 2 268.405 0.922 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C[C@@H](C)O ZINC000311405159 354199609 /nfs/dbraw/zinc/19/96/09/354199609.db2.gz AXUBQRWZOLPAHQ-MCIONIFRSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C[C@@H](C)O ZINC000311405159 354199615 /nfs/dbraw/zinc/19/96/15/354199615.db2.gz AXUBQRWZOLPAHQ-MCIONIFRSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000311405159 354199619 /nfs/dbraw/zinc/19/96/19/354199619.db2.gz AXUBQRWZOLPAHQ-MCIONIFRSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000311405159 354199622 /nfs/dbraw/zinc/19/96/22/354199622.db2.gz AXUBQRWZOLPAHQ-MCIONIFRSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(CCO)CC1 ZINC000311638263 354202552 /nfs/dbraw/zinc/20/25/52/354202552.db2.gz APVVVDOUNXZGTD-CQSZACIVSA-N 2 2 274.405 0.020 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CCO)CC1 ZINC000311638263 354202554 /nfs/dbraw/zinc/20/25/54/354202554.db2.gz APVVVDOUNXZGTD-CQSZACIVSA-N 2 2 274.405 0.020 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)Cc1cccnc1 ZINC000311897903 354204744 /nfs/dbraw/zinc/20/47/44/354204744.db2.gz BTHOTKQFNZXVFQ-AWEZNQCLSA-N 2 2 267.373 0.453 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)Cc1cccnc1 ZINC000311897903 354204747 /nfs/dbraw/zinc/20/47/47/354204747.db2.gz BTHOTKQFNZXVFQ-AWEZNQCLSA-N 2 2 267.373 0.453 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)Cc1cccnc1 ZINC000311897903 354204750 /nfs/dbraw/zinc/20/47/50/354204750.db2.gz BTHOTKQFNZXVFQ-AWEZNQCLSA-N 2 2 267.373 0.453 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)Cc1cccnc1 ZINC000311897903 354204753 /nfs/dbraw/zinc/20/47/53/354204753.db2.gz BTHOTKQFNZXVFQ-AWEZNQCLSA-N 2 2 267.373 0.453 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(COC)CC1 ZINC000312001977 354206086 /nfs/dbraw/zinc/20/60/86/354206086.db2.gz UTSXUCWFLLVQHN-AWEZNQCLSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(COC)CC1 ZINC000312001977 354206089 /nfs/dbraw/zinc/20/60/89/354206089.db2.gz UTSXUCWFLLVQHN-AWEZNQCLSA-N 2 2 274.405 0.284 20 0 CCADLP C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313348966 354214150 /nfs/dbraw/zinc/21/41/50/354214150.db2.gz ULBVWNQOTLHZTM-DGCLKSJQSA-N 2 2 269.389 0.483 20 0 CCADLP C[C@H](C(=O)NC1CCCC1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313348966 354214154 /nfs/dbraw/zinc/21/41/54/354214154.db2.gz ULBVWNQOTLHZTM-DGCLKSJQSA-N 2 2 269.389 0.483 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCc2ccccc2F)[C@H](C[NH3+])C1 ZINC000557137893 291023152 /nfs/dbraw/zinc/02/31/52/291023152.db2.gz JZVNGJSNBXFZOC-CYBMUJFWSA-N 2 2 294.374 0.653 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCc2ccccc2F)[C@H](C[NH3+])C1 ZINC000557137893 291023155 /nfs/dbraw/zinc/02/31/55/291023155.db2.gz JZVNGJSNBXFZOC-CYBMUJFWSA-N 2 2 294.374 0.653 20 0 CCADLP CC(C)(CNC(=O)NCC[C@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000557137223 291023296 /nfs/dbraw/zinc/02/32/96/291023296.db2.gz CZGASBSNXZCKSF-CYBMUJFWSA-N 2 2 298.431 0.539 20 0 CCADLP Cn1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1=O ZINC000607751704 363365088 /nfs/dbraw/zinc/36/50/88/363365088.db2.gz HXTUQAZORUODOR-OAHLLOKOSA-N 2 2 291.395 0.539 20 0 CCADLP Cn1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1=O ZINC000607751704 363365091 /nfs/dbraw/zinc/36/50/91/363365091.db2.gz HXTUQAZORUODOR-OAHLLOKOSA-N 2 2 291.395 0.539 20 0 CCADLP O=C(NCc1ccn2cc[nH+]c2c1)N[C@@H]1CCC[NH2+]C1 ZINC000557182720 291025735 /nfs/dbraw/zinc/02/57/35/291025735.db2.gz BXAYYJVHDGMJMT-GFCCVEGCSA-N 2 2 273.340 0.886 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655485637 412588713 /nfs/dbraw/zinc/58/87/13/412588713.db2.gz PEBKSANLJPJZPW-IJLUTSLNSA-N 2 2 262.357 0.784 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000330366868 354330294 /nfs/dbraw/zinc/33/02/94/354330294.db2.gz FCENMHRCVVZCDW-DGCLKSJQSA-N 2 2 253.346 0.663 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000330366868 354330298 /nfs/dbraw/zinc/33/02/98/354330298.db2.gz FCENMHRCVVZCDW-DGCLKSJQSA-N 2 2 253.346 0.663 20 0 CCADLP CC[NH+](CC)CC1CC[NH+](Cc2nnnn2C)CC1 ZINC000330525246 354393196 /nfs/dbraw/zinc/39/31/96/354393196.db2.gz KIRRISMGYUIFHW-UHFFFAOYSA-N 2 2 266.393 0.764 20 0 CCADLP C[NH+](C)CC(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000330470822 354372343 /nfs/dbraw/zinc/37/23/43/354372343.db2.gz DLELSKGKIXQNTK-UHFFFAOYSA-N 2 2 269.349 0.044 20 0 CCADLP C[N@@H+]1CCO[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC000348002819 283025238 /nfs/dbraw/zinc/02/52/38/283025238.db2.gz KOMRDNVUBJCCCU-KGLIPLIRSA-N 2 2 293.411 0.546 20 0 CCADLP C[N@H+]1CCO[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC000348002819 283025241 /nfs/dbraw/zinc/02/52/41/283025241.db2.gz KOMRDNVUBJCCCU-KGLIPLIRSA-N 2 2 293.411 0.546 20 0 CCADLP CC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000331335611 354539965 /nfs/dbraw/zinc/53/99/65/354539965.db2.gz QFLFMIOORHWRPQ-YPMHNXCESA-N 2 2 251.330 0.929 20 0 CCADLP CC(=O)[C@@](C)(O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000331335611 354539971 /nfs/dbraw/zinc/53/99/71/354539971.db2.gz QFLFMIOORHWRPQ-YPMHNXCESA-N 2 2 251.330 0.929 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000331921462 354619474 /nfs/dbraw/zinc/61/94/74/354619474.db2.gz FLNSQEVZUKMHRP-GRYCIOLGSA-N 2 2 274.430 0.787 20 0 CCADLP C[C@H]1CCC[C@H]1[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000332537131 354693194 /nfs/dbraw/zinc/69/31/94/354693194.db2.gz ABVMAKHFHLFPAT-UONOGXRCSA-N 2 2 297.443 0.992 20 0 CCADLP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000333816425 354799745 /nfs/dbraw/zinc/79/97/45/354799745.db2.gz GRWVRWUANPPIST-LXTVHRRPSA-N 2 2 297.443 0.929 20 0 CCADLP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000333816425 354799748 /nfs/dbraw/zinc/79/97/48/354799748.db2.gz GRWVRWUANPPIST-LXTVHRRPSA-N 2 2 297.443 0.929 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000333796688 354795804 /nfs/dbraw/zinc/79/58/04/354795804.db2.gz NJOBJBQXOTVNSX-OLZOCXBDSA-N 2 2 298.431 0.394 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000333796688 354795807 /nfs/dbraw/zinc/79/58/07/354795807.db2.gz NJOBJBQXOTVNSX-OLZOCXBDSA-N 2 2 298.431 0.394 20 0 CCADLP C[N@@H+]1CCCC12CC[NH+](CCN1CCNC1=O)CC2 ZINC000334503393 354878545 /nfs/dbraw/zinc/87/85/45/354878545.db2.gz YTLWWRZYEARJLE-UHFFFAOYSA-N 2 2 266.389 0.572 20 0 CCADLP C[N@H+]1CCCC12CC[NH+](CCN1CCNC1=O)CC2 ZINC000334503393 354878551 /nfs/dbraw/zinc/87/85/51/354878551.db2.gz YTLWWRZYEARJLE-UHFFFAOYSA-N 2 2 266.389 0.572 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](C3CC3)C2)CC1 ZINC000334432126 354863459 /nfs/dbraw/zinc/86/34/59/354863459.db2.gz WPMDWFUNDAFLMI-AWEZNQCLSA-N 2 2 265.401 0.882 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](C3CC3)C2)CC1 ZINC000334432126 354863461 /nfs/dbraw/zinc/86/34/61/354863461.db2.gz WPMDWFUNDAFLMI-AWEZNQCLSA-N 2 2 265.401 0.882 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000423527793 235000442 /nfs/dbraw/zinc/00/04/42/235000442.db2.gz MTRGGRUXHPUREB-AEGPPILISA-N 2 2 295.427 0.683 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000423527793 235000444 /nfs/dbraw/zinc/00/04/44/235000444.db2.gz MTRGGRUXHPUREB-AEGPPILISA-N 2 2 295.427 0.683 20 0 CCADLP C[C@@H](C[NH3+])CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000418489462 295891267 /nfs/dbraw/zinc/89/12/67/295891267.db2.gz LRWXJINSXVPVKD-STQMWFEESA-N 2 2 284.404 0.087 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCc3occc3C2)CC1 ZINC000335126537 354968130 /nfs/dbraw/zinc/96/81/30/354968130.db2.gz NZVQDHCQCAOPKW-UHFFFAOYSA-N 2 2 277.368 0.802 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCc3occc3C2)CC1 ZINC000335126537 354968134 /nfs/dbraw/zinc/96/81/34/354968134.db2.gz NZVQDHCQCAOPKW-UHFFFAOYSA-N 2 2 277.368 0.802 20 0 CCADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000423744818 235050394 /nfs/dbraw/zinc/05/03/94/235050394.db2.gz OPFPSQHXCAIEFT-CYBMUJFWSA-N 2 2 293.415 0.438 20 0 CCADLP O=C(CC[C@H]1CCC[NH2+]1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000423768101 235068934 /nfs/dbraw/zinc/06/89/34/235068934.db2.gz ZVZUNPYPIBJLPG-TZMCWYRMSA-N 2 2 281.400 0.498 20 0 CCADLP O=C(CC[C@H]1CCC[NH2+]1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000423768101 235068936 /nfs/dbraw/zinc/06/89/36/235068936.db2.gz ZVZUNPYPIBJLPG-TZMCWYRMSA-N 2 2 281.400 0.498 20 0 CCADLP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000424130432 235157522 /nfs/dbraw/zinc/15/75/22/235157522.db2.gz FHAKEWADAGDPFX-UONOGXRCSA-N 2 2 299.378 0.326 20 0 CCADLP O=C(C[NH2+]C[C@H]1CCCO1)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424165566 235164988 /nfs/dbraw/zinc/16/49/88/235164988.db2.gz GBMJBRKJUJHEIZ-GHMZBOCLSA-N 2 2 291.342 0.116 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)C(C)C ZINC000336833548 355207291 /nfs/dbraw/zinc/20/72/91/355207291.db2.gz OOTKQOFACLZXMT-KYEXWDHISA-N 2 2 281.400 0.385 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)C(C)C ZINC000336833548 355207292 /nfs/dbraw/zinc/20/72/92/355207292.db2.gz OOTKQOFACLZXMT-KYEXWDHISA-N 2 2 281.400 0.385 20 0 CCADLP CCOC(=O)[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336839515 355210435 /nfs/dbraw/zinc/21/04/35/355210435.db2.gz OTYFITYGZLODMD-GXTWGEPZSA-N 2 2 284.400 0.717 20 0 CCADLP CCOC(=O)[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336839515 355210438 /nfs/dbraw/zinc/21/04/38/355210438.db2.gz OTYFITYGZLODMD-GXTWGEPZSA-N 2 2 284.400 0.717 20 0 CCADLP CCOC(=O)[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000336839515 355210441 /nfs/dbraw/zinc/21/04/41/355210441.db2.gz OTYFITYGZLODMD-GXTWGEPZSA-N 2 2 284.400 0.717 20 0 CCADLP CCOC(=O)[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336839515 355210443 /nfs/dbraw/zinc/21/04/43/355210443.db2.gz OTYFITYGZLODMD-GXTWGEPZSA-N 2 2 284.400 0.717 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CC2CCOCC2)CC1 ZINC000336803248 355178293 /nfs/dbraw/zinc/17/82/93/355178293.db2.gz XQBNZSCVWNRHQT-UHFFFAOYSA-N 2 2 264.373 0.969 20 0 CCADLP Cn1cc[nH+]c1CN1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000336824631 355198919 /nfs/dbraw/zinc/19/89/19/355198919.db2.gz VLPLKRHCNMWZGX-AWEZNQCLSA-N 2 2 278.400 0.964 20 0 CCADLP C[C@@]1(C2CC[NH+](CCn3cc[nH+]c3)CC2)NC(=O)NC1=O ZINC000336832766 355206236 /nfs/dbraw/zinc/20/62/36/355206236.db2.gz BATFWVSXGZJBHU-AWEZNQCLSA-N 2 2 291.355 0.193 20 0 CCADLP [NH3+]C[C@@H](NC(=O)c1ccc2[nH+]ccn2c1)C(F)(F)F ZINC000655513984 412605608 /nfs/dbraw/zinc/60/56/08/412605608.db2.gz JUNUAOLTRBQEMW-MRVPVSSYSA-N 2 2 272.230 0.954 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CCC12CCOCC2 ZINC000558623869 291062552 /nfs/dbraw/zinc/06/25/52/291062552.db2.gz XRXMNONDCIHHFP-ZIAGYGMSSA-N 2 2 267.417 0.781 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCC12CCOCC2 ZINC000558623869 291062555 /nfs/dbraw/zinc/06/25/55/291062555.db2.gz XRXMNONDCIHHFP-ZIAGYGMSSA-N 2 2 267.417 0.781 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000338290019 355313034 /nfs/dbraw/zinc/31/30/34/355313034.db2.gz PWBGBANWVWDJGX-STQMWFEESA-N 2 2 286.420 0.347 20 0 CCADLP CCC[N@H+](CCn1cc[nH+]c1)[C@H]1CC(=O)N(C)C1=O ZINC000338327062 355322714 /nfs/dbraw/zinc/32/27/14/355322714.db2.gz MWWRSWGRDWRQRF-NSHDSACASA-N 2 2 264.329 0.352 20 0 CCADLP CCC[N@@H+](CCn1cc[nH+]c1)[C@H]1CC(=O)N(C)C1=O ZINC000338327062 355322717 /nfs/dbraw/zinc/32/27/17/355322717.db2.gz MWWRSWGRDWRQRF-NSHDSACASA-N 2 2 264.329 0.352 20 0 CCADLP C[N@H+](CCC[NH+]1CCCC1)CCC(=O)N1CC[NH+](C)CC1 ZINC000338359206 355330890 /nfs/dbraw/zinc/33/08/90/355330890.db2.gz YSHHENBSMAUOBR-UHFFFAOYSA-N 3 2 296.459 0.568 20 0 CCADLP C[N@@H+](CCC[NH+]1CCCC1)CCC(=O)N1CC[NH+](C)CC1 ZINC000338359206 355330892 /nfs/dbraw/zinc/33/08/92/355330892.db2.gz YSHHENBSMAUOBR-UHFFFAOYSA-N 3 2 296.459 0.568 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2nnnn2C)CC1 ZINC000337209759 355283892 /nfs/dbraw/zinc/28/38/92/355283892.db2.gz BILCOPOIFBJLCU-UHFFFAOYSA-N 2 2 295.435 0.058 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@@H+](C)Cc2nnnn2C)CC1 ZINC000337209759 355283895 /nfs/dbraw/zinc/28/38/95/355283895.db2.gz BILCOPOIFBJLCU-UHFFFAOYSA-N 2 2 295.435 0.058 20 0 CCADLP COCCCn1nccc1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000338454125 355351386 /nfs/dbraw/zinc/35/13/86/355351386.db2.gz HKHZJSNFVXGMCK-AWEZNQCLSA-N 2 2 284.404 0.322 20 0 CCADLP CN1CC[NH+](CCCSCC[NH+]2CCOCC2)CC1 ZINC000339120469 355490576 /nfs/dbraw/zinc/49/05/76/355490576.db2.gz ZYAYOCNBLKBOEC-UHFFFAOYSA-N 2 2 287.473 0.689 20 0 CCADLP C[NH+]1CCN(CCCSCC[NH+]2CCOCC2)CC1 ZINC000339120469 355490579 /nfs/dbraw/zinc/49/05/79/355490579.db2.gz ZYAYOCNBLKBOEC-UHFFFAOYSA-N 2 2 287.473 0.689 20 0 CCADLP CC[C@@H](C(=O)NCC[N@@H+]1CCOC[C@@H]1C)[NH+](C)C ZINC000338969676 355463821 /nfs/dbraw/zinc/46/38/21/355463821.db2.gz AXATZBQNHUJDJA-RYUDHWBXSA-N 2 2 257.378 0.164 20 0 CCADLP CC[C@@H](C(=O)NCC[N@H+]1CCOC[C@@H]1C)[NH+](C)C ZINC000338969676 355463824 /nfs/dbraw/zinc/46/38/24/355463824.db2.gz AXATZBQNHUJDJA-RYUDHWBXSA-N 2 2 257.378 0.164 20 0 CCADLP Cc1cnc(CC[NH2+]Cc2c[nH+]c(N(C)C)n2C)nc1 ZINC000425365241 235289109 /nfs/dbraw/zinc/28/91/09/235289109.db2.gz YAKUSNFDNSXAKR-UHFFFAOYSA-N 2 2 274.372 0.917 20 0 CCADLP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000341332995 355654750 /nfs/dbraw/zinc/65/47/50/355654750.db2.gz YFCNLXJAQQZMIB-UPJWGTAASA-N 2 2 294.399 0.924 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)N(C)CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000341188405 355625474 /nfs/dbraw/zinc/62/54/74/355625474.db2.gz DBMQJCDWRDVKFY-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)N(C)CC[NH+]2CCOCC2)CC[N@H+]1C ZINC000341188405 355625476 /nfs/dbraw/zinc/62/54/76/355625476.db2.gz DBMQJCDWRDVKFY-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H]1CCCCO1 ZINC000655525851 412612853 /nfs/dbraw/zinc/61/28/53/412612853.db2.gz UUBXIXOJUYGFPS-FRRDWIJNSA-N 2 2 271.405 0.729 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000342774925 355743117 /nfs/dbraw/zinc/74/31/17/355743117.db2.gz DXQPWNUKYPCBOO-CBBWQLFWSA-N 2 2 295.427 0.363 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000342774925 355743120 /nfs/dbraw/zinc/74/31/20/355743120.db2.gz DXQPWNUKYPCBOO-CBBWQLFWSA-N 2 2 295.427 0.363 20 0 CCADLP Cc1c[nH+]c(CN2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)n1C ZINC000342842149 355756340 /nfs/dbraw/zinc/75/63/40/355756340.db2.gz CHDWWUDQXLJCKH-CHWSQXEVSA-N 2 2 266.389 0.615 20 0 CCADLP Cc1c[nH+]c(CN2CC[N@H+](C[C@@H](C)O)C[C@H]2C)n1C ZINC000342842149 355756344 /nfs/dbraw/zinc/75/63/44/355756344.db2.gz CHDWWUDQXLJCKH-CHWSQXEVSA-N 2 2 266.389 0.615 20 0 CCADLP [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000346288088 355869127 /nfs/dbraw/zinc/86/91/27/355869127.db2.gz PBGHXWIOQUZPCI-SCRDCRAPSA-N 2 2 281.400 0.483 20 0 CCADLP [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000346288088 355869129 /nfs/dbraw/zinc/86/91/29/355869129.db2.gz PBGHXWIOQUZPCI-SCRDCRAPSA-N 2 2 281.400 0.483 20 0 CCADLP CC[N@@H+]1CCN(CCC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000352658138 356043326 /nfs/dbraw/zinc/04/33/26/356043326.db2.gz DCUCGNHWTLDFNU-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP CC[N@H+]1CCN(CCC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000352658138 356043330 /nfs/dbraw/zinc/04/33/30/356043330.db2.gz DCUCGNHWTLDFNU-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP CCN1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000352658138 356043335 /nfs/dbraw/zinc/04/33/35/356043335.db2.gz DCUCGNHWTLDFNU-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP CCN1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000352658138 356043341 /nfs/dbraw/zinc/04/33/41/356043341.db2.gz DCUCGNHWTLDFNU-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)[C@@H]2CCC[C@@H]21 ZINC000423492002 283138044 /nfs/dbraw/zinc/13/80/44/283138044.db2.gz LCZSMTSUWULDRG-AJNGGQMLSA-N 3 2 267.417 0.827 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)[C@@H]2CCC[C@@H]21 ZINC000423492002 283138048 /nfs/dbraw/zinc/13/80/48/283138048.db2.gz LCZSMTSUWULDRG-AJNGGQMLSA-N 3 2 267.417 0.827 20 0 CCADLP CN(C)C(=O)CC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352782793 356079177 /nfs/dbraw/zinc/07/91/77/356079177.db2.gz WKIOFNASPNBMRZ-UHFFFAOYSA-N 2 2 270.402 0.773 20 0 CCADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)[C@H](C)[NH3+])cc1 ZINC000352998858 356132250 /nfs/dbraw/zinc/13/22/50/356132250.db2.gz GZLXEFSSQPFMFZ-DZGCQCFKSA-N 2 2 291.395 0.832 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000353013632 356137825 /nfs/dbraw/zinc/13/78/25/356137825.db2.gz QSHOHQHBEALTGF-LBPRGKRZSA-N 2 2 252.362 0.977 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000353013632 356137826 /nfs/dbraw/zinc/13/78/26/356137826.db2.gz QSHOHQHBEALTGF-LBPRGKRZSA-N 2 2 252.362 0.977 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000353466663 356229173 /nfs/dbraw/zinc/22/91/73/356229173.db2.gz IMQYMCQMZRUXTK-AJNGGQMLSA-N 2 2 297.443 0.846 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cncnc3)C2)CC1 ZINC000353307976 356199707 /nfs/dbraw/zinc/19/97/07/356199707.db2.gz MVGHYXXIWNYJGN-OAHLLOKOSA-N 2 2 275.400 0.688 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cncnc3)C2)CC1 ZINC000353307976 356199710 /nfs/dbraw/zinc/19/97/10/356199710.db2.gz MVGHYXXIWNYJGN-OAHLLOKOSA-N 2 2 275.400 0.688 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000353579522 356253005 /nfs/dbraw/zinc/25/30/05/356253005.db2.gz QBRGWKUMYWGVCK-OCCSQVGLSA-N 2 2 277.368 0.523 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000353579522 356253009 /nfs/dbraw/zinc/25/30/09/356253009.db2.gz QBRGWKUMYWGVCK-OCCSQVGLSA-N 2 2 277.368 0.523 20 0 CCADLP CCOC[C@H](O)C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000360749733 138008923 /nfs/dbraw/zinc/00/89/23/138008923.db2.gz ZGDLQPONNLTNRF-CQSZACIVSA-N 2 2 274.405 0.162 20 0 CCADLP CCOC[C@H](O)C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000360749733 138008924 /nfs/dbraw/zinc/00/89/24/138008924.db2.gz ZGDLQPONNLTNRF-CQSZACIVSA-N 2 2 274.405 0.162 20 0 CCADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccccc1-n1ccnn1 ZINC000353506214 356241690 /nfs/dbraw/zinc/24/16/90/356241690.db2.gz XDXGGNMDHFHBSU-QWHCGFSZSA-N 2 2 289.383 0.840 20 0 CCADLP C[C@H]1CN(CC[N@@H+]2CCCOCC2)C[C@H]1[NH+]1CCOCC1 ZINC000361309182 138028429 /nfs/dbraw/zinc/02/84/29/138028429.db2.gz NVERTMMTNWFCQK-JKSUJKDBSA-N 2 2 297.443 0.361 20 0 CCADLP C[C@H]1CN(CC[N@H+]2CCCOCC2)C[C@H]1[NH+]1CCOCC1 ZINC000361309182 138028430 /nfs/dbraw/zinc/02/84/30/138028430.db2.gz NVERTMMTNWFCQK-JKSUJKDBSA-N 2 2 297.443 0.361 20 0 CCADLP CC[NH+]1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000273546767 192196101 /nfs/dbraw/zinc/19/61/01/192196101.db2.gz USDQENLYJAPPNL-UHFFFAOYSA-N 2 2 262.357 0.925 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CC[N@@H+]1C ZINC000354073377 356341978 /nfs/dbraw/zinc/34/19/78/356341978.db2.gz WMFOIJSMRKZFOL-QWRGUYRKSA-N 2 2 250.346 0.941 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CC[N@H+]1C ZINC000354073377 356341981 /nfs/dbraw/zinc/34/19/81/356341981.db2.gz WMFOIJSMRKZFOL-QWRGUYRKSA-N 2 2 250.346 0.941 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000655577677 412625242 /nfs/dbraw/zinc/62/52/42/412625242.db2.gz ZJOPFVDULVTNNR-AWEZNQCLSA-N 2 2 291.399 0.746 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000655577677 412625246 /nfs/dbraw/zinc/62/52/46/412625246.db2.gz ZJOPFVDULVTNNR-AWEZNQCLSA-N 2 2 291.399 0.746 20 0 CCADLP C[C@H]1CC[N@H+](CCNC(=O)[C@@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000560177739 291092774 /nfs/dbraw/zinc/09/27/74/291092774.db2.gz VFPLPJIIIQNDHP-GXTWGEPZSA-N 2 2 293.415 0.481 20 0 CCADLP C[C@H]1CC[N@@H+](CCNC(=O)[C@@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000560177739 291092777 /nfs/dbraw/zinc/09/27/77/291092777.db2.gz VFPLPJIIIQNDHP-GXTWGEPZSA-N 2 2 293.415 0.481 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000362726066 138072038 /nfs/dbraw/zinc/07/20/38/138072038.db2.gz UBLOXOSQVNAVAL-AGIUHOORSA-N 2 2 269.389 0.021 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000362726066 138072039 /nfs/dbraw/zinc/07/20/39/138072039.db2.gz UBLOXOSQVNAVAL-AGIUHOORSA-N 2 2 269.389 0.021 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000362726066 138072040 /nfs/dbraw/zinc/07/20/40/138072040.db2.gz UBLOXOSQVNAVAL-AGIUHOORSA-N 2 2 269.389 0.021 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000362726066 138072041 /nfs/dbraw/zinc/07/20/41/138072041.db2.gz UBLOXOSQVNAVAL-AGIUHOORSA-N 2 2 269.389 0.021 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[NH+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353674647 283165167 /nfs/dbraw/zinc/16/51/67/283165167.db2.gz SLHUZMMCEYRGGI-YJNKXOJESA-N 3 2 267.417 0.515 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[NH+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353674647 283165169 /nfs/dbraw/zinc/16/51/69/283165169.db2.gz SLHUZMMCEYRGGI-YJNKXOJESA-N 3 2 267.417 0.515 20 0 CCADLP C[NH+]1CC[C@](O)(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353674647 283165171 /nfs/dbraw/zinc/16/51/71/283165171.db2.gz SLHUZMMCEYRGGI-YJNKXOJESA-N 3 2 267.417 0.515 20 0 CCADLP C[NH+]1CC[C@](O)(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353674647 283165172 /nfs/dbraw/zinc/16/51/72/283165172.db2.gz SLHUZMMCEYRGGI-YJNKXOJESA-N 3 2 267.417 0.515 20 0 CCADLP C[C@H]1CN(C(=O)[C@H]2CCOC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354945698 356533956 /nfs/dbraw/zinc/53/39/56/356533956.db2.gz BZWWSZBHYSUFRM-KBPBESRZSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@H]1CN(C(=O)[C@H]2CCOC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354945698 356533961 /nfs/dbraw/zinc/53/39/61/356533961.db2.gz BZWWSZBHYSUFRM-KBPBESRZSA-N 2 2 295.427 0.650 20 0 CCADLP COC(=O)[C@@H](C)[NH+](C)C/C=C/C[N@@H+](C)[C@H](C)C(=O)OC ZINC000619512399 366271880 /nfs/dbraw/zinc/27/18/80/366271880.db2.gz JTSKSHKYOZEXIA-IDDPWSFUSA-N 2 2 286.372 0.529 20 0 CCADLP COC(=O)[C@@H](C)[NH+](C)C/C=C/C[N@H+](C)[C@H](C)C(=O)OC ZINC000619512399 366271884 /nfs/dbraw/zinc/27/18/84/366271884.db2.gz JTSKSHKYOZEXIA-IDDPWSFUSA-N 2 2 286.372 0.529 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)NC(=O)CCc1c[nH+]cn1C ZINC000560445896 291101996 /nfs/dbraw/zinc/10/19/96/291101996.db2.gz DBFKMLBSSZPJAC-ZDUSSCGKSA-N 2 2 296.415 0.562 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC(=O)NC2CC2)C[C@@H]1C ZINC000610133315 363537910 /nfs/dbraw/zinc/53/79/10/363537910.db2.gz DHBIWVRSRANZFB-AAEUAGOBSA-N 2 2 296.415 0.779 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC(=O)NC2CC2)C[C@@H]1C ZINC000610133315 363537915 /nfs/dbraw/zinc/53/79/15/363537915.db2.gz DHBIWVRSRANZFB-AAEUAGOBSA-N 2 2 296.415 0.779 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC(=O)NC2CC2)C[C@@H]1C ZINC000610133315 363537922 /nfs/dbraw/zinc/53/79/22/363537922.db2.gz DHBIWVRSRANZFB-AAEUAGOBSA-N 2 2 296.415 0.779 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC(=O)NC2CC2)C[C@@H]1C ZINC000610133315 363537905 /nfs/dbraw/zinc/53/79/05/363537905.db2.gz DHBIWVRSRANZFB-AAEUAGOBSA-N 2 2 296.415 0.779 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CCC[N@@H+]1C ZINC000355919858 356670039 /nfs/dbraw/zinc/67/00/39/356670039.db2.gz PFSBYKPYZYFYJD-MNOVXSKESA-N 2 2 250.346 0.941 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CCC[N@H+]1C ZINC000355919858 356670042 /nfs/dbraw/zinc/67/00/42/356670042.db2.gz PFSBYKPYZYFYJD-MNOVXSKESA-N 2 2 250.346 0.941 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CCO[C@H]2CC[N@H+](C)C[C@H]21 ZINC000329026271 202157967 /nfs/dbraw/zinc/15/79/67/202157967.db2.gz OBMIDEZTRFSTFT-KGLIPLIRSA-N 2 2 292.383 0.284 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000329026271 202157969 /nfs/dbraw/zinc/15/79/69/202157969.db2.gz OBMIDEZTRFSTFT-KGLIPLIRSA-N 2 2 292.383 0.284 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)N(CC[NH+]2CCOCC2)CC2CC2)C1 ZINC000619884928 366369120 /nfs/dbraw/zinc/36/91/20/366369120.db2.gz ILWDWLDIYZVQNO-OAHLLOKOSA-N 2 2 295.427 0.509 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)N(CC[NH+]2CCOCC2)CC2CC2)C1 ZINC000619884928 366369125 /nfs/dbraw/zinc/36/91/25/366369125.db2.gz ILWDWLDIYZVQNO-OAHLLOKOSA-N 2 2 295.427 0.509 20 0 CCADLP CC[NH+]1CCN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000356343716 356749678 /nfs/dbraw/zinc/74/96/78/356749678.db2.gz BULAVBUASWHVPW-CYBMUJFWSA-N 2 2 284.404 0.054 20 0 CCADLP CC[NH+]1CCN(C(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC000356343716 356749681 /nfs/dbraw/zinc/74/96/81/356749681.db2.gz BULAVBUASWHVPW-CYBMUJFWSA-N 2 2 284.404 0.054 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000359362852 356808688 /nfs/dbraw/zinc/80/86/88/356808688.db2.gz QZLPELBVERVOCU-NSHDSACASA-N 2 2 296.371 0.187 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000359362852 356808690 /nfs/dbraw/zinc/80/86/90/356808690.db2.gz QZLPELBVERVOCU-NSHDSACASA-N 2 2 296.371 0.187 20 0 CCADLP C[N@H+](CCN1C(=O)NC2(CCCC2)C1=O)[C@@H](C[NH3+])C1CC1 ZINC000360002132 356932995 /nfs/dbraw/zinc/93/29/95/356932995.db2.gz RKXMOCMLJXRPLC-LBPRGKRZSA-N 2 2 294.399 0.520 20 0 CCADLP C[N@@H+](CCN1C(=O)NC2(CCCC2)C1=O)[C@@H](C[NH3+])C1CC1 ZINC000360002132 356933000 /nfs/dbraw/zinc/93/30/00/356933000.db2.gz RKXMOCMLJXRPLC-LBPRGKRZSA-N 2 2 294.399 0.520 20 0 CCADLP C[N@H+]([C@H](C[NH3+])C1CC1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000360004375 356934124 /nfs/dbraw/zinc/93/41/24/356934124.db2.gz XAAXVOBVDQTGFC-VHSXEESVSA-N 2 2 279.306 0.819 20 0 CCADLP C[N@@H+]([C@H](C[NH3+])C1CC1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000360004375 356934126 /nfs/dbraw/zinc/93/41/26/356934126.db2.gz XAAXVOBVDQTGFC-VHSXEESVSA-N 2 2 279.306 0.819 20 0 CCADLP C[NH+]1CCC(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000360176740 356965257 /nfs/dbraw/zinc/96/52/57/356965257.db2.gz XYKJQMVSUHUYRW-UHFFFAOYSA-N 2 2 283.416 0.555 20 0 CCADLP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(F)(F)F ZINC000655698880 412646736 /nfs/dbraw/zinc/64/67/36/412646736.db2.gz YSVOPEHVPGGTIM-GHMZBOCLSA-N 2 2 282.306 0.753 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2nnnn2C)C1 ZINC000365633347 357163590 /nfs/dbraw/zinc/16/35/90/357163590.db2.gz VLBPFGVHBBIHNI-SNVBAGLBSA-N 2 2 261.333 0.323 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2nnnn2C)C1 ZINC000365633347 357163593 /nfs/dbraw/zinc/16/35/93/357163593.db2.gz VLBPFGVHBBIHNI-SNVBAGLBSA-N 2 2 261.333 0.323 20 0 CCADLP Cc1oncc1C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000364639901 357126918 /nfs/dbraw/zinc/12/69/18/357126918.db2.gz VMZUWLNXNMDXBQ-UHFFFAOYSA-N 2 2 295.383 0.642 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366477491 357215758 /nfs/dbraw/zinc/21/57/58/357215758.db2.gz AVDAKCXHASXDPM-FZMZJTMJSA-N 2 2 282.388 0.248 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366477491 357215763 /nfs/dbraw/zinc/21/57/63/357215763.db2.gz AVDAKCXHASXDPM-FZMZJTMJSA-N 2 2 282.388 0.248 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366477491 357215770 /nfs/dbraw/zinc/21/57/70/357215770.db2.gz AVDAKCXHASXDPM-FZMZJTMJSA-N 2 2 282.388 0.248 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366477491 357215773 /nfs/dbraw/zinc/21/57/73/357215773.db2.gz AVDAKCXHASXDPM-FZMZJTMJSA-N 2 2 282.388 0.248 20 0 CCADLP Cn1nnc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)n1 ZINC000365872326 357176574 /nfs/dbraw/zinc/17/65/74/357176574.db2.gz AHWDSMZCCCUKRY-UHFFFAOYSA-N 2 2 273.344 0.364 20 0 CCADLP COCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000366851461 357245226 /nfs/dbraw/zinc/24/52/26/357245226.db2.gz DHDAKWKWIRZQPF-CYBMUJFWSA-N 2 2 297.443 0.944 20 0 CCADLP COCC(C)(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000366851461 357245235 /nfs/dbraw/zinc/24/52/35/357245235.db2.gz DHDAKWKWIRZQPF-CYBMUJFWSA-N 2 2 297.443 0.944 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3(C)COC3)C2)CC1 ZINC000373309249 357386071 /nfs/dbraw/zinc/38/60/71/357386071.db2.gz FDFCXOFBSOFBAG-GFCCVEGCSA-N 2 2 281.400 0.308 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3(C)COC3)C2)CC1 ZINC000373309249 357386073 /nfs/dbraw/zinc/38/60/73/357386073.db2.gz FDFCXOFBSOFBAG-GFCCVEGCSA-N 2 2 281.400 0.308 20 0 CCADLP CNC(=O)[C@H](CC(C)C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655748607 412654774 /nfs/dbraw/zinc/65/47/74/412654774.db2.gz DIVLFIZFZAWHHO-GJZGRUSLSA-N 2 2 297.443 0.990 20 0 CCADLP Cc1n[nH]c(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000655750566 412653734 /nfs/dbraw/zinc/65/37/34/412653734.db2.gz CIMSMZFKTCFXNU-AWEZNQCLSA-N 2 2 293.415 0.889 20 0 CCADLP Cc1nc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)n[nH]1 ZINC000655750566 412653737 /nfs/dbraw/zinc/65/37/37/412653737.db2.gz CIMSMZFKTCFXNU-AWEZNQCLSA-N 2 2 293.415 0.889 20 0 CCADLP Cc1nnc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)[nH]1 ZINC000655750566 412653740 /nfs/dbraw/zinc/65/37/40/412653740.db2.gz CIMSMZFKTCFXNU-AWEZNQCLSA-N 2 2 293.415 0.889 20 0 CCADLP C(CN1CCC1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655736380 412654851 /nfs/dbraw/zinc/65/48/51/412654851.db2.gz DWVNGJZVMZXSOZ-AWEZNQCLSA-N 2 2 253.390 0.535 20 0 CCADLP C(C[NH+]1CCC1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655736380 412654856 /nfs/dbraw/zinc/65/48/56/412654856.db2.gz DWVNGJZVMZXSOZ-AWEZNQCLSA-N 2 2 253.390 0.535 20 0 CCADLP CN1C[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)CCC1=O ZINC000352760908 219616071 /nfs/dbraw/zinc/61/60/71/219616071.db2.gz BKRJLAFESIDZSC-SNVBAGLBSA-N 2 2 282.413 0.915 20 0 CCADLP O=C(Cc1cn2ccccc2[nH+]1)N1CC[NH2+]C[C@H]1C(F)F ZINC000377529783 357584644 /nfs/dbraw/zinc/58/46/44/357584644.db2.gz IGNPSRGUXGNUTD-NSHDSACASA-N 2 2 294.305 0.942 20 0 CCADLP CN(C(=O)c1ccon1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377636669 357598728 /nfs/dbraw/zinc/59/87/28/357598728.db2.gz JTXXHIZKTOXVLF-ZDUSSCGKSA-N 2 2 292.383 0.915 20 0 CCADLP CN(C(=O)c1ccon1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377636669 357598730 /nfs/dbraw/zinc/59/87/30/357598730.db2.gz JTXXHIZKTOXVLF-ZDUSSCGKSA-N 2 2 292.383 0.915 20 0 CCADLP CON1CCC([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655776599 412658556 /nfs/dbraw/zinc/65/85/56/412658556.db2.gz JWHQYBFBHCQHAP-HNNXBMFYSA-N 2 2 283.416 0.855 20 0 CCADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H](C)O ZINC000655772295 412657997 /nfs/dbraw/zinc/65/79/97/412657997.db2.gz MNBPPNBVORJHMB-BNOWGMLFSA-N 2 2 256.390 0.989 20 0 CCADLP Cn1cc(C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cn1 ZINC000378356515 357675096 /nfs/dbraw/zinc/67/50/96/357675096.db2.gz PBXQADBYODDHCO-AWEZNQCLSA-N 2 2 291.399 0.334 20 0 CCADLP Cn1cc(C[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cn1 ZINC000378356515 357675098 /nfs/dbraw/zinc/67/50/98/357675098.db2.gz PBXQADBYODDHCO-AWEZNQCLSA-N 2 2 291.399 0.334 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000377951139 357633504 /nfs/dbraw/zinc/63/35/04/357633504.db2.gz KBVATHZVXGKGNC-AWEZNQCLSA-N 2 2 292.383 0.767 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000377951139 357633508 /nfs/dbraw/zinc/63/35/08/357633508.db2.gz KBVATHZVXGKGNC-AWEZNQCLSA-N 2 2 292.383 0.767 20 0 CCADLP CCn1nnc(C)c1C[NH2+]C[C@@H]1CCC[N@@H+]1CCOC ZINC000449115566 236017873 /nfs/dbraw/zinc/01/78/73/236017873.db2.gz HZNCBYWISFWRKE-ZDUSSCGKSA-N 2 2 281.404 0.807 20 0 CCADLP CCn1nnc(C)c1C[NH2+]C[C@@H]1CCC[N@H+]1CCOC ZINC000449115566 236017875 /nfs/dbraw/zinc/01/78/75/236017875.db2.gz HZNCBYWISFWRKE-ZDUSSCGKSA-N 2 2 281.404 0.807 20 0 CCADLP Cc1cc(=O)n2nc(C[N@@H+](C)C3CC([NH3+])C3)sc2n1 ZINC000385100988 357724468 /nfs/dbraw/zinc/72/44/68/357724468.db2.gz ZQTRLYNTFXTMTG-UHFFFAOYSA-N 2 2 279.369 0.381 20 0 CCADLP Cc1cc(=O)n2nc(C[N@H+](C)C3CC([NH3+])C3)sc2n1 ZINC000385100988 357724473 /nfs/dbraw/zinc/72/44/73/357724473.db2.gz ZQTRLYNTFXTMTG-UHFFFAOYSA-N 2 2 279.369 0.381 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)[C@H](C)[NH+]2CC(C)C2)CC1 ZINC000561112316 291117458 /nfs/dbraw/zinc/11/74/58/291117458.db2.gz CMHDOEJBNOLGJO-ZDUSSCGKSA-N 2 2 253.390 0.879 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)NC1CC[NH+](C)CC1 ZINC000408101971 357920240 /nfs/dbraw/zinc/92/02/40/357920240.db2.gz XBMYMDWCJPTVBX-UHFFFAOYSA-N 2 2 265.361 0.656 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC(C)(C)C2)C1 ZINC000619903964 366385043 /nfs/dbraw/zinc/38/50/43/366385043.db2.gz IWYRBZGAFQMLMG-LBPRGKRZSA-N 2 2 253.390 0.929 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC(C)(C)C2)C1 ZINC000619903964 366385048 /nfs/dbraw/zinc/38/50/48/366385048.db2.gz IWYRBZGAFQMLMG-LBPRGKRZSA-N 2 2 253.390 0.929 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000561448660 291129903 /nfs/dbraw/zinc/12/99/03/291129903.db2.gz NEPTUIHZDXJPMH-LBPRGKRZSA-N 2 2 278.404 0.954 20 0 CCADLP CCC[N@H+]1CCC[C@H]1CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000561448660 291129904 /nfs/dbraw/zinc/12/99/04/291129904.db2.gz NEPTUIHZDXJPMH-LBPRGKRZSA-N 2 2 278.404 0.954 20 0 CCADLP C[C@@H]1CC[N@@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)C[C@@H]1C[NH3+] ZINC000420400787 358181214 /nfs/dbraw/zinc/18/12/14/358181214.db2.gz IQGVTIFAGYWMIK-DYEKYZERSA-N 2 2 291.399 0.442 20 0 CCADLP C[C@@H]1CC[N@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)C[C@@H]1C[NH3+] ZINC000420400787 358181216 /nfs/dbraw/zinc/18/12/16/358181216.db2.gz IQGVTIFAGYWMIK-DYEKYZERSA-N 2 2 291.399 0.442 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000423022338 358196018 /nfs/dbraw/zinc/19/60/18/358196018.db2.gz DZVAFSSJVUNJSH-KWCYVHTRSA-N 2 2 253.390 0.437 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000423022338 358196022 /nfs/dbraw/zinc/19/60/22/358196022.db2.gz DZVAFSSJVUNJSH-KWCYVHTRSA-N 2 2 253.390 0.437 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CN(C2CC2)CCO1 ZINC000423022338 358196024 /nfs/dbraw/zinc/19/60/24/358196024.db2.gz DZVAFSSJVUNJSH-KWCYVHTRSA-N 2 2 253.390 0.437 20 0 CCADLP C[C@H]([NH3+])CN1CC[NH+](CC(=O)NC2CCC(C)CC2)CC1 ZINC000442663763 358241303 /nfs/dbraw/zinc/24/13/03/358241303.db2.gz UFLKTEBSSWEHAV-SLTAFYQDSA-N 2 2 296.459 0.646 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+](C2CC2)C1 ZINC000452178225 358265807 /nfs/dbraw/zinc/26/58/07/358265807.db2.gz YNRIRUROAFDPPE-OCCSQVGLSA-N 2 2 281.400 0.260 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+](C2CC2)C1 ZINC000452178225 358265814 /nfs/dbraw/zinc/26/58/14/358265814.db2.gz YNRIRUROAFDPPE-OCCSQVGLSA-N 2 2 281.400 0.260 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+](C2CC2)C1 ZINC000452178225 358265819 /nfs/dbraw/zinc/26/58/19/358265819.db2.gz YNRIRUROAFDPPE-OCCSQVGLSA-N 2 2 281.400 0.260 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+](C2CC2)C1 ZINC000452178225 358265823 /nfs/dbraw/zinc/26/58/23/358265823.db2.gz YNRIRUROAFDPPE-OCCSQVGLSA-N 2 2 281.400 0.260 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000562340431 291145158 /nfs/dbraw/zinc/14/51/58/291145158.db2.gz JXGXEWXQWXQJAL-ZIAGYGMSSA-N 2 2 297.443 0.990 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000562340431 291145159 /nfs/dbraw/zinc/14/51/59/291145159.db2.gz JXGXEWXQWXQJAL-ZIAGYGMSSA-N 2 2 297.443 0.990 20 0 CCADLP Cn1cncc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000329268645 202258690 /nfs/dbraw/zinc/25/86/90/202258690.db2.gz IDARUJJWCHOGDD-HUUCEWRRSA-N 2 2 278.400 0.888 20 0 CCADLP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)C[NH+](C)C)cc1 ZINC000529838419 358349732 /nfs/dbraw/zinc/34/97/32/358349732.db2.gz QZFRNMHVABTALV-AWEZNQCLSA-N 2 2 291.395 0.947 20 0 CCADLP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)C[NH+](C)C)cc1 ZINC000529838419 358349738 /nfs/dbraw/zinc/34/97/38/358349738.db2.gz QZFRNMHVABTALV-AWEZNQCLSA-N 2 2 291.395 0.947 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1Cc2ccccc2NC1=O ZINC000530225550 358381897 /nfs/dbraw/zinc/38/18/97/358381897.db2.gz OJVMMOJDUPYONE-ZLDLUXBVSA-N 2 2 289.379 0.906 20 0 CCADLP CCn1nncc1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000530211554 358378773 /nfs/dbraw/zinc/37/87/73/358378773.db2.gz OMSMLMDNLHIEBY-CHWSQXEVSA-N 2 2 265.361 0.155 20 0 CCADLP C1=CC[N@H+](CCNc2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000530377751 358396403 /nfs/dbraw/zinc/39/64/03/358396403.db2.gz KBXYERIRIFCLQO-UHFFFAOYSA-N 2 2 289.383 0.409 20 0 CCADLP C1=CC[N@@H+](CCNc2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000530377751 358396404 /nfs/dbraw/zinc/39/64/04/358396404.db2.gz KBXYERIRIFCLQO-UHFFFAOYSA-N 2 2 289.383 0.409 20 0 CCADLP OCC1(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)COC1 ZINC000533540762 358542067 /nfs/dbraw/zinc/54/20/67/358542067.db2.gz GREBLEKKTTYALQ-UHFFFAOYSA-N 2 2 251.330 0.598 20 0 CCADLP CC(C)C[C@H](CO)[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000567734813 358579304 /nfs/dbraw/zinc/57/93/04/358579304.db2.gz YKTNLKQKPHXVQU-TUVASFSCSA-N 2 2 288.432 0.453 20 0 CCADLP CN(C(=O)Cc1cn2ccccc2[nH+]1)C1CC([NH3+])C1 ZINC000294929652 199255808 /nfs/dbraw/zinc/25/58/08/199255808.db2.gz UJIQBGXKBYTFRH-UHFFFAOYSA-N 2 2 258.325 0.825 20 0 CCADLP [NH3+]CC1(CC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000567795468 358587558 /nfs/dbraw/zinc/58/75/58/358587558.db2.gz YRUJJFZXYWHVHS-UHFFFAOYSA-N 2 2 277.372 0.183 20 0 CCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCNc1cccc[nH+]1 ZINC000567795219 358587903 /nfs/dbraw/zinc/58/79/03/358587903.db2.gz DJUZNPCVYRGVES-RYUDHWBXSA-N 2 2 262.357 0.998 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCc2cc(F)ccc2F)[C@@H](C[NH3+])C1 ZINC000567829729 358595866 /nfs/dbraw/zinc/59/58/66/358595866.db2.gz KVUNUIFBPOXRIQ-ZDUSSCGKSA-N 2 2 297.349 0.999 20 0 CCADLP C[N@H+]1CCN(C(=O)CCc2cc(F)ccc2F)[C@@H](C[NH3+])C1 ZINC000567829729 358595869 /nfs/dbraw/zinc/59/58/69/358595869.db2.gz KVUNUIFBPOXRIQ-ZDUSSCGKSA-N 2 2 297.349 0.999 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+]CCc2cn(C)c[nH+]2)no1 ZINC000568501909 358679347 /nfs/dbraw/zinc/67/93/47/358679347.db2.gz 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/nfs/dbraw/zinc/22/73/06/291227306.db2.gz TWJXKFSGWSRKQJ-SECBINFHSA-N 2 2 287.371 0.672 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655927553 412702311 /nfs/dbraw/zinc/70/23/11/412702311.db2.gz OKAHFMAFWLSCQK-VIFPVBQESA-N 2 2 292.261 0.779 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CCN2CCC(O)CC2)n1C ZINC000563442269 291230458 /nfs/dbraw/zinc/23/04/58/291230458.db2.gz ZVGOHHMCUQBCSN-UHFFFAOYSA-N 2 2 252.362 0.275 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)n1C ZINC000563441144 291230256 /nfs/dbraw/zinc/23/02/56/291230256.db2.gz VUYKGNNKYDQUFV-YPMHNXCESA-N 2 2 269.389 0.976 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1C[C@@H](C(=O)OC)C1 ZINC000595857551 360680498 /nfs/dbraw/zinc/68/04/98/360680498.db2.gz ZLQQFJOVJPURIV-TUAOUCFPSA-N 2 2 258.362 0.182 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1C[C@@H](C(=O)OC)C1 ZINC000595857551 360680500 /nfs/dbraw/zinc/68/05/00/360680500.db2.gz ZLQQFJOVJPURIV-TUAOUCFPSA-N 2 2 258.362 0.182 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1C[C@@H](C(=O)OC)C1 ZINC000595857551 360680502 /nfs/dbraw/zinc/68/05/02/360680502.db2.gz ZLQQFJOVJPURIV-TUAOUCFPSA-N 2 2 258.362 0.182 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1C[C@@H](C(=O)OC)C1 ZINC000595857551 360680503 /nfs/dbraw/zinc/68/05/03/360680503.db2.gz ZLQQFJOVJPURIV-TUAOUCFPSA-N 2 2 258.362 0.182 20 0 CCADLP CCOC(=O)CCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595864626 360684821 /nfs/dbraw/zinc/68/48/21/360684821.db2.gz UQPJWGIECQIVTD-CQSZACIVSA-N 2 2 284.400 0.861 20 0 CCADLP CCOC(=O)CCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595864626 360684823 /nfs/dbraw/zinc/68/48/23/360684823.db2.gz UQPJWGIECQIVTD-CQSZACIVSA-N 2 2 284.400 0.861 20 0 CCADLP C[NH2+]C1CC[NH+]([C@H]2CCCN(CCC(=O)OC)C2=O)CC1 ZINC000595893024 360693439 /nfs/dbraw/zinc/69/34/39/360693439.db2.gz PGNDWLGDOLBIOD-ZDUSSCGKSA-N 2 2 297.399 0.224 20 0 CCADLP CN(C)[C@@H](C(=O)N1CC[C@H](C[NH+](C)C)C1)c1c[nH+]cn1C ZINC000684835289 545747931 /nfs/dbraw/zinc/74/79/31/545747931.db2.gz WIQPLWQIAJZXTI-TZMCWYRMSA-N 2 2 293.415 0.433 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+](C)CC(C)(C)[NH3+] ZINC000595903301 360698605 /nfs/dbraw/zinc/69/86/05/360698605.db2.gz UWEGQYBPJSQIJP-VIFPVBQESA-N 2 2 258.366 0.278 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)[NH3+] ZINC000595903301 360698608 /nfs/dbraw/zinc/69/86/08/360698608.db2.gz UWEGQYBPJSQIJP-VIFPVBQESA-N 2 2 258.366 0.278 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000595932043 360710576 /nfs/dbraw/zinc/71/05/76/360710576.db2.gz MIPAGDDHWXUWQA-VXGBXAGGSA-N 2 2 285.388 0.080 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000595932043 360710579 /nfs/dbraw/zinc/71/05/79/360710579.db2.gz MIPAGDDHWXUWQA-VXGBXAGGSA-N 2 2 285.388 0.080 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(N2CN=NC2=O)CC1)C1CC1 ZINC000563546112 291237383 /nfs/dbraw/zinc/23/73/83/291237383.db2.gz ZAQJLSSYNVHTMW-CYBMUJFWSA-N 2 2 295.387 0.076 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(N2CN=NC2=O)CC1)C1CC1 ZINC000563546112 291237386 /nfs/dbraw/zinc/23/73/86/291237386.db2.gz ZAQJLSSYNVHTMW-CYBMUJFWSA-N 2 2 295.387 0.076 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000493616629 238247216 /nfs/dbraw/zinc/24/72/16/238247216.db2.gz TWKMEHXTCASDMI-BKGLOODYSA-N 2 2 278.356 0.336 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000493616629 238247229 /nfs/dbraw/zinc/24/72/29/238247229.db2.gz TWKMEHXTCASDMI-BKGLOODYSA-N 2 2 278.356 0.336 20 0 CCADLP CCNc1nc(NC(C)(C)C)nc(N[C@@H](C)C[C@@H](C)[NH3+])[nH+]1 ZINC000563713173 291248110 /nfs/dbraw/zinc/24/81/10/291248110.db2.gz GRGMKLOARWXDPQ-ZJUUUORDSA-N 2 2 295.435 0.895 20 0 CCADLP CCNc1nc(N[C@@H](C)C[C@@H](C)[NH3+])nc(NC(C)(C)C)[nH+]1 ZINC000563713173 291248111 /nfs/dbraw/zinc/24/81/11/291248111.db2.gz GRGMKLOARWXDPQ-ZJUUUORDSA-N 2 2 295.435 0.895 20 0 CCADLP CCNc1nc(N[C@@H](C)C[C@@H](C)[NH3+])[nH+]c(NC(C)(C)C)n1 ZINC000563713173 291248113 /nfs/dbraw/zinc/24/81/13/291248113.db2.gz GRGMKLOARWXDPQ-ZJUUUORDSA-N 2 2 295.435 0.895 20 0 CCADLP C[NH+](C)[C@@]1(CNC(=O)/C=C\c2[nH]cc[nH+]2)CCSC1 ZINC000493789317 238383940 /nfs/dbraw/zinc/38/39/40/238383940.db2.gz MYTFPBPMVLPSOQ-DHCBQETCSA-N 2 2 280.397 0.976 20 0 CCADLP CN(C[C@H]1CCC[N@@H+]1C)c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000563833237 291253898 /nfs/dbraw/zinc/25/38/98/291253898.db2.gz MCLATFIKWVDIEE-LLVKDONJSA-N 2 2 287.371 0.605 20 0 CCADLP CN(C[C@H]1CCC[N@H+]1C)c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000563833237 291253899 /nfs/dbraw/zinc/25/38/99/291253899.db2.gz MCLATFIKWVDIEE-LLVKDONJSA-N 2 2 287.371 0.605 20 0 CCADLP CS[C@H](CO)[C@H](C)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000300703786 200900058 /nfs/dbraw/zinc/90/00/58/200900058.db2.gz NRQNGPNQSNBLTM-NOOOWODRSA-N 2 2 262.419 0.455 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C2CCSCC2)C[C@@H](C)O1 ZINC000563881028 291255781 /nfs/dbraw/zinc/25/57/81/291255781.db2.gz ASOFPHSXUHUZON-YRGRVCCFSA-N 2 2 288.457 0.942 20 0 CCADLP O=C(NCCc1cn2ccccc2[nH+]1)NC[C@@H]1CCC[NH2+]1 ZINC000563874608 291255323 /nfs/dbraw/zinc/25/53/23/291255323.db2.gz PBQHCTNZMJYCKG-LBPRGKRZSA-N 2 2 287.367 0.928 20 0 CCADLP CNS(=O)(=O)CC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000621268491 366692591 /nfs/dbraw/zinc/69/25/91/366692591.db2.gz MFBXJZUBFFIPOF-RYUDHWBXSA-N 2 2 286.401 0.315 20 0 CCADLP CNS(=O)(=O)CC[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000621268491 366692599 /nfs/dbraw/zinc/69/25/99/366692599.db2.gz MFBXJZUBFFIPOF-RYUDHWBXSA-N 2 2 286.401 0.315 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNc2ncnc3n[nH]cc32)CC1 ZINC000301524876 201045201 /nfs/dbraw/zinc/04/52/01/201045201.db2.gz IMOPEQFWUBQHON-UHFFFAOYSA-N 2 2 289.387 0.791 20 0 CCADLP O=C([C@H]1CCCO1)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000182624424 189329076 /nfs/dbraw/zinc/32/90/76/189329076.db2.gz YEQAWESGVZGYCM-CQSZACIVSA-N 2 2 292.383 0.596 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000564209377 291270100 /nfs/dbraw/zinc/27/01/00/291270100.db2.gz UFMGIGDDTBSRLI-JTQLQIEISA-N 2 2 274.328 0.375 20 0 CCADLP CC(=O)N1CC[C@@H]([NH2+]Cc2c[nH+]ccc2N(C)C)C1 ZINC000621387696 366759433 /nfs/dbraw/zinc/75/94/33/366759433.db2.gz JAZPFVCUDHQFJU-CYBMUJFWSA-N 2 2 262.357 0.858 20 0 CCADLP CNC(=O)[C@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000183187256 189349939 /nfs/dbraw/zinc/34/99/39/189349939.db2.gz MWKRQHOACOYTQT-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP CNC(=O)[C@H]1CCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000183187256 189349940 /nfs/dbraw/zinc/34/99/40/189349940.db2.gz MWKRQHOACOYTQT-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP Cc1cc(CNC(=O)c2cn(CCC[NH3+])nn2)cc(C)[nH+]1 ZINC000564443750 291279382 /nfs/dbraw/zinc/27/93/82/291279382.db2.gz KCDAUELJOJBJDK-UHFFFAOYSA-N 2 2 288.355 0.569 20 0 CCADLP Cc1ccc(CCC[NH2+][C@H]2CCN(S(C)(=O)=O)C2)c[nH+]1 ZINC000564459241 291281355 /nfs/dbraw/zinc/28/13/55/291281355.db2.gz RLSCQTUZJQFLGU-AWEZNQCLSA-N 2 2 297.424 0.946 20 0 CCADLP COc1c(N)[nH+]cnc1N(C)CCCn1cc[nH+]c1 ZINC000564470022 291282237 /nfs/dbraw/zinc/28/22/37/291282237.db2.gz JYLHGAUYSXKJGN-UHFFFAOYSA-N 2 2 262.317 0.790 20 0 CCADLP CCC[N@H+](C)CC(=O)NCc1c[nH+]c(C)nc1N ZINC000564572734 291285981 /nfs/dbraw/zinc/28/59/81/291285981.db2.gz PDHCJRDDMGZTPM-UHFFFAOYSA-N 2 2 251.334 0.156 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCc1c[nH+]c(C)nc1N ZINC000564572734 291285985 /nfs/dbraw/zinc/28/59/85/291285985.db2.gz PDHCJRDDMGZTPM-UHFFFAOYSA-N 2 2 251.334 0.156 20 0 CCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000564585792 291287840 /nfs/dbraw/zinc/28/78/40/291287840.db2.gz OCRQMWPEWUBLBM-GFCCVEGCSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000564585792 291287842 /nfs/dbraw/zinc/28/78/42/291287842.db2.gz OCRQMWPEWUBLBM-GFCCVEGCSA-N 2 2 253.390 0.881 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000564595368 291288256 /nfs/dbraw/zinc/28/82/56/291288256.db2.gz WPRABCODXXWVNS-UHFFFAOYSA-N 2 2 297.443 0.897 20 0 CCADLP Cc1cc(C)c(CN(CC[NH3+])C[C@@H](O)CO)c(C)[nH+]1 ZINC000631828919 370696561 /nfs/dbraw/zinc/69/65/61/370696561.db2.gz BUQGAANMDOPFBD-CYBMUJFWSA-N 2 2 267.373 0.121 20 0 CCADLP CC(=O)[C@H](NC(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1)C(C)C ZINC000564656952 291291860 /nfs/dbraw/zinc/29/18/60/291291860.db2.gz OVJMPYHXUICWCX-KGLIPLIRSA-N 2 2 269.389 0.433 20 0 CCADLP CC(C)(CNC(=O)N[C@@]1(C)CC[NH2+]C1)[NH+]1CCOCC1 ZINC000612863024 364025308 /nfs/dbraw/zinc/02/53/08/364025308.db2.gz NWRDAEOALUQDLW-AWEZNQCLSA-N 2 2 284.404 0.148 20 0 CCADLP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631863741 370723109 /nfs/dbraw/zinc/72/31/09/370723109.db2.gz DSBSMKSZKZGXMV-NWDGAFQWSA-N 2 2 271.405 0.336 20 0 CCADLP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)NCC1CCC1 ZINC000631886668 370736111 /nfs/dbraw/zinc/73/61/11/370736111.db2.gz IZSQFOCMADOTAQ-KBPBESRZSA-N 2 2 265.401 0.977 20 0 CCADLP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)NCC1CCC1 ZINC000631886668 370736116 /nfs/dbraw/zinc/73/61/16/370736116.db2.gz IZSQFOCMADOTAQ-KBPBESRZSA-N 2 2 265.401 0.977 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)NC[C@@H]1CCCO1 ZINC000631889547 370739575 /nfs/dbraw/zinc/73/95/75/370739575.db2.gz GZSXYTBEPOCCMS-RDBSUJKOSA-N 2 2 281.400 0.356 20 0 CCADLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)NC[C@@H]1CCCO1 ZINC000631889547 370739579 /nfs/dbraw/zinc/73/95/79/370739579.db2.gz GZSXYTBEPOCCMS-RDBSUJKOSA-N 2 2 281.400 0.356 20 0 CCADLP O=C(NC[C@H]1CCC[NH2+]1)C1CC[NH+](CC(F)F)CC1 ZINC000564837314 291304944 /nfs/dbraw/zinc/30/49/44/291304944.db2.gz IBLGATQIUSACQU-LLVKDONJSA-N 2 2 275.343 0.832 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000189718834 189543655 /nfs/dbraw/zinc/54/36/55/189543655.db2.gz WRKYEQIZMCFPBR-LBPRGKRZSA-N 2 2 288.351 0.473 20 0 CCADLP C[NH+](C)C1(C(=O)N2CC[C@H]([NH+]3CCC3)[C@H](F)C2)CC1 ZINC000614108186 364505539 /nfs/dbraw/zinc/50/55/39/364505539.db2.gz VARJUWIUPVIRCM-NEPJUHHUSA-N 2 2 269.364 0.725 20 0 CCADLP O=C(NCC[N@H+]1CC=CCC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000614261037 364552205 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CC[C@H]1C[N@@H+](C)CCN1C(=O)CN1CC[NH+](CC)CC1 ZINC000565265353 291367931 /nfs/dbraw/zinc/36/79/31/291367931.db2.gz DOKNTVCQWQNNCT-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCC2(C)C)[C@H](C[NH3+])C1 ZINC000565295020 291369713 /nfs/dbraw/zinc/36/97/13/291369713.db2.gz WZOJEXHNSKYOHJ-GHMZBOCLSA-N 2 2 254.378 0.459 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCC2(C)C)[C@H](C[NH3+])C1 ZINC000565295020 291369715 /nfs/dbraw/zinc/36/97/15/291369715.db2.gz WZOJEXHNSKYOHJ-GHMZBOCLSA-N 2 2 254.378 0.459 20 0 CCADLP C[NH+](C)CC(C)(C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000622098660 367024727 /nfs/dbraw/zinc/02/47/27/367024727.db2.gz MJCRPEQDGZUXAD-LLVKDONJSA-N 2 2 264.373 0.902 20 0 CCADLP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335561279 212268438 /nfs/dbraw/zinc/26/84/38/212268438.db2.gz ZAFNPIFAYJWFCA-NWDGAFQWSA-N 2 2 262.357 0.656 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335561279 212268437 /nfs/dbraw/zinc/26/84/37/212268437.db2.gz ZAFNPIFAYJWFCA-NWDGAFQWSA-N 2 2 262.357 0.656 20 0 CCADLP C[N@@H+]1CCN(C(=O)COc2ccccc2Cl)[C@@H](C[NH3+])C1 ZINC000566200547 291374523 /nfs/dbraw/zinc/37/45/23/291374523.db2.gz RXGDXKASXFSLRU-NSHDSACASA-N 2 2 297.786 0.820 20 0 CCADLP C[N@H+]1CCN(C(=O)COc2ccccc2Cl)[C@@H](C[NH3+])C1 ZINC000566200547 291374525 /nfs/dbraw/zinc/37/45/25/291374525.db2.gz RXGDXKASXFSLRU-NSHDSACASA-N 2 2 297.786 0.820 20 0 CCADLP CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632029390 370840161 /nfs/dbraw/zinc/84/01/61/370840161.db2.gz CUELMRKOSCNPOM-LBPRGKRZSA-N 2 2 289.445 0.436 20 0 CCADLP CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632029390 370840163 /nfs/dbraw/zinc/84/01/63/370840163.db2.gz CUELMRKOSCNPOM-LBPRGKRZSA-N 2 2 289.445 0.436 20 0 CCADLP C[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)[C@@H](C)[NH+]1CCOCC1 ZINC000167690954 296094799 /nfs/dbraw/zinc/09/47/99/296094799.db2.gz AMETUBREMBWZFR-IJLUTSLNSA-N 2 2 271.405 0.585 20 0 CCADLP CN(C)[C@H](C(=O)NCC1([NH+](C)C)CC1)c1c[nH+]cn1C 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C[N@H+](CC(=O)N[C@H]1Cc2c[nH+]cn2C1)[C@H]1CCSC1 ZINC000623263211 367502552 /nfs/dbraw/zinc/50/25/52/367502552.db2.gz FWZBENMDRGKQQF-QWRGUYRKSA-N 2 2 280.397 0.361 20 0 CCADLP C[N@@H+](CC(=O)N[C@H]1Cc2c[nH+]cn2C1)[C@H]1CCSC1 ZINC000623263211 367502558 /nfs/dbraw/zinc/50/25/58/367502558.db2.gz FWZBENMDRGKQQF-QWRGUYRKSA-N 2 2 280.397 0.361 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)[NH2+]C[C@](C)(O)C(F)(F)F ZINC000574158974 334996898 /nfs/dbraw/zinc/99/68/98/334996898.db2.gz XCGJEFWOPXRYDQ-QWRGUYRKSA-N 2 2 286.338 0.982 20 0 CCADLP C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+]1C)[C@@H](C)[NH+]1CCOCC1 ZINC000623633823 367612210 /nfs/dbraw/zinc/61/22/10/367612210.db2.gz FVYNOYGQPQJTTK-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H](NC(=O)NC[C@H]1CCC[N@H+]1C)[C@@H](C)[NH+]1CCOCC1 ZINC000623633823 367612216 /nfs/dbraw/zinc/61/22/16/367612216.db2.gz FVYNOYGQPQJTTK-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP COc1cccc(C[NH2+]CC[N@H+]2CC[C@@H](O)C2)c1 ZINC000623756734 367645081 /nfs/dbraw/zinc/64/50/81/367645081.db2.gz CZZQCXPSXCCUJM-CYBMUJFWSA-N 2 2 250.342 0.851 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000566319720 291393920 /nfs/dbraw/zinc/39/39/20/291393920.db2.gz CVZQEZFVWKOYQF-CYBMUJFWSA-N 2 2 276.384 0.918 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000566351728 291396681 /nfs/dbraw/zinc/39/66/81/291396681.db2.gz ZOOPKNXOAGLSFX-DOMZBBRYSA-N 2 2 280.368 0.729 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000566351728 291396683 /nfs/dbraw/zinc/39/66/83/291396683.db2.gz ZOOPKNXOAGLSFX-DOMZBBRYSA-N 2 2 280.368 0.729 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCc3scnc32)CC1 ZINC000623878834 367685815 /nfs/dbraw/zinc/68/58/15/367685815.db2.gz QSMKZZXBPODEPI-LLVKDONJSA-N 2 2 294.424 0.884 20 0 CCADLP CC[NH+]1CCC([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000624084623 367747051 /nfs/dbraw/zinc/74/70/51/367747051.db2.gz CJQPHJOPXZWNOS-AWEZNQCLSA-N 3 2 282.432 0.400 20 0 CCADLP CC[NH+]1CCC([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000624084623 367747057 /nfs/dbraw/zinc/74/70/57/367747057.db2.gz CJQPHJOPXZWNOS-AWEZNQCLSA-N 3 2 282.432 0.400 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)[C@@H]1CCCO1 ZINC000624085822 367749862 /nfs/dbraw/zinc/74/98/62/367749862.db2.gz FBQIZKBOOQXSHA-AGIUHOORSA-N 2 2 269.389 0.483 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)[C@@H]1CCCO1 ZINC000624085822 367749863 /nfs/dbraw/zinc/74/98/63/367749863.db2.gz FBQIZKBOOQXSHA-AGIUHOORSA-N 2 2 269.389 0.483 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)[C@]1(C)CCCO1 ZINC000624086019 367750171 /nfs/dbraw/zinc/75/01/71/367750171.db2.gz PMGCJFFXQLXZCO-IPYPFGDCSA-N 2 2 283.416 0.873 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)[C@]1(C)CCCO1 ZINC000624086019 367750174 /nfs/dbraw/zinc/75/01/74/367750174.db2.gz PMGCJFFXQLXZCO-IPYPFGDCSA-N 2 2 283.416 0.873 20 0 CCADLP C[C@@H](C(=O)N1CCCC[C@H]1C[NH+](C)C)[NH+]1CCOCC1 ZINC000566437487 291405946 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CC(C)[C@H]1CN(C(=O)NC[C@H]2COCC[NH+]2C)CC[N@@H+]1C ZINC000624733363 367973683 /nfs/dbraw/zinc/97/36/83/367973683.db2.gz VLBBUXGHDYUIIR-UONOGXRCSA-N 2 2 298.431 0.299 20 0 CCADLP CC(C)[C@H]1CN(C(=O)NC[C@H]2COCC[NH+]2C)CC[N@H+]1C ZINC000624733363 367973687 /nfs/dbraw/zinc/97/36/87/367973687.db2.gz VLBBUXGHDYUIIR-UONOGXRCSA-N 2 2 298.431 0.299 20 0 CCADLP CC(C)[C@H]1CN(C(=O)NC[C@H]2COCC[N@@H+]2C)CC[NH+]1C ZINC000624733363 367973691 /nfs/dbraw/zinc/97/36/91/367973691.db2.gz VLBBUXGHDYUIIR-UONOGXRCSA-N 2 2 298.431 0.299 20 0 CCADLP CC(C)[C@H]1CN(C(=O)NC[C@H]2COCC[N@H+]2C)CC[NH+]1C ZINC000624733363 367973707 /nfs/dbraw/zinc/97/37/07/367973707.db2.gz VLBBUXGHDYUIIR-UONOGXRCSA-N 2 2 298.431 0.299 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)NCc1c[nH+]c[nH]1 ZINC000625301407 368141949 /nfs/dbraw/zinc/14/19/49/368141949.db2.gz VQBSUEJJMHUPQZ-UHFFFAOYSA-N 2 2 260.363 0.171 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)NCc1c[nH]c[nH+]1 ZINC000625301407 368141954 /nfs/dbraw/zinc/14/19/54/368141954.db2.gz VQBSUEJJMHUPQZ-UHFFFAOYSA-N 2 2 260.363 0.171 20 0 CCADLP COC[C@@H](C[NH+]1CCC([NH+]2CCOCC2)CC1)OC ZINC000625544045 368237721 /nfs/dbraw/zinc/23/77/21/368237721.db2.gz FPPNVXIYCBYVOC-CQSZACIVSA-N 2 2 272.389 0.444 20 0 CCADLP CCOCC[C@@H](O)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625545974 368240171 /nfs/dbraw/zinc/24/01/71/368240171.db2.gz KEJMNCQITAMYEB-OAHLLOKOSA-N 2 2 286.416 0.571 20 0 CCADLP CC(C)([NH3+])CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000566505830 291419050 /nfs/dbraw/zinc/41/90/50/291419050.db2.gz SNJAUZIVYHCHEQ-UHFFFAOYSA-N 2 2 275.312 0.126 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000625751764 368321968 /nfs/dbraw/zinc/32/19/68/368321968.db2.gz MELAFMBKJHGHOE-NSHDSACASA-N 2 2 261.329 0.841 20 0 CCADLP C[NH2+]CCOCCNC(=O)Nc1cc[nH+]c(C)c1 ZINC000625874145 368354583 /nfs/dbraw/zinc/35/45/83/368354583.db2.gz UGTJJAJBOPAVNG-UHFFFAOYSA-N 2 2 252.318 0.169 20 0 CCADLP COC1CC(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000625993066 368387438 /nfs/dbraw/zinc/38/74/38/368387438.db2.gz FFOBOZVFYPMUSR-UHFFFAOYSA-N 2 2 283.416 0.554 20 0 CCADLP CC[NH2+]CCCNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000566610790 291426141 /nfs/dbraw/zinc/42/61/41/291426141.db2.gz YXSBYGOWBWTVEG-UHFFFAOYSA-N 2 2 291.399 0.913 20 0 CCADLP CCC[C@]1(C)C(=O)NCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261658787 284046274 /nfs/dbraw/zinc/04/62/74/284046274.db2.gz BLXAEYYWQPXJAN-GXTWGEPZSA-N 2 2 253.390 0.977 20 0 CCADLP CCC[C@]1(C)C(=O)NCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261658787 284046275 /nfs/dbraw/zinc/04/62/75/284046275.db2.gz BLXAEYYWQPXJAN-GXTWGEPZSA-N 2 2 253.390 0.977 20 0 CCADLP COC[C@]1(C)C[N@H+](CCn2cc[nH+]c2C)CCO1 ZINC000626176393 368475892 /nfs/dbraw/zinc/47/58/92/368475892.db2.gz MNJFKWAFWFCQJN-ZDUSSCGKSA-N 2 2 253.346 0.929 20 0 CCADLP COC[C@]1(C)C[N@@H+](CCn2cc[nH+]c2C)CCO1 ZINC000626176393 368475901 /nfs/dbraw/zinc/47/59/01/368475901.db2.gz MNJFKWAFWFCQJN-ZDUSSCGKSA-N 2 2 253.346 0.929 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCC[NH+]1CCC1)CC2 ZINC000626241447 368496957 /nfs/dbraw/zinc/49/69/57/368496957.db2.gz PYUCRQNPGJMJDX-LBPRGKRZSA-N 2 2 262.357 0.576 20 0 CCADLP C[C@@H](CNC(=O)N[C@H]1CC[NH2+]C12CCC2)[NH+]1CCOCC1 ZINC000626933542 368684746 /nfs/dbraw/zinc/68/47/46/368684746.db2.gz MEVBWRILWWOGGX-STQMWFEESA-N 2 2 296.415 0.291 20 0 CCADLP C[C@@H]1CN(S(=O)(=O)CC2([NH+](C)C)CC2)[C@@H](C)C[N@@H+]1C ZINC000632170534 370904894 /nfs/dbraw/zinc/90/48/94/370904894.db2.gz XSSYPCLSYFWXIX-NEPJUHHUSA-N 2 2 289.445 0.435 20 0 CCADLP C[C@@H]1CN(S(=O)(=O)CC2([NH+](C)C)CC2)[C@@H](C)C[N@H+]1C ZINC000632170534 370904898 /nfs/dbraw/zinc/90/48/98/370904898.db2.gz XSSYPCLSYFWXIX-NEPJUHHUSA-N 2 2 289.445 0.435 20 0 CCADLP C[NH+](C)C1(CS(=O)(=O)N2CC(n3cc[nH+]c3)C2)CC1 ZINC000632199128 370916880 /nfs/dbraw/zinc/91/68/80/370916880.db2.gz UAUZKWNWELHRRJ-UHFFFAOYSA-N 2 2 284.385 0.164 20 0 CCADLP C[NH2+]CCOCCNC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000627053090 368758904 /nfs/dbraw/zinc/75/89/04/368758904.db2.gz XHRJEENJULQCKQ-WDEREUQCSA-N 2 2 281.360 0.424 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)NCC2([NH+]3CCOCC3)CC2)C[NH2+]1 ZINC000627021662 368743998 /nfs/dbraw/zinc/74/39/98/368743998.db2.gz ZLPHMVFRUPDGTD-STQMWFEESA-N 2 2 296.415 0.291 20 0 CCADLP CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627079490 368777544 /nfs/dbraw/zinc/77/75/44/368777544.db2.gz JBGLSRKTSXVSSW-NWDGAFQWSA-N 2 2 272.393 0.134 20 0 CCADLP CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627079490 368777550 /nfs/dbraw/zinc/77/75/50/368777550.db2.gz JBGLSRKTSXVSSW-NWDGAFQWSA-N 2 2 272.393 0.134 20 0 CCADLP C[C@H](CCCC[NH3+])NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627093402 368792448 /nfs/dbraw/zinc/79/24/48/368792448.db2.gz NDJSOVMOXLFBRI-VXGBXAGGSA-N 2 2 272.393 0.134 20 0 CCADLP C[C@H](CCCC[NH3+])NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627093402 368792452 /nfs/dbraw/zinc/79/24/52/368792452.db2.gz NDJSOVMOXLFBRI-VXGBXAGGSA-N 2 2 272.393 0.134 20 0 CCADLP CCC[C@H]1C[NH2+]CCN1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627182825 368851584 /nfs/dbraw/zinc/85/15/84/368851584.db2.gz DACSQYQJXSHTEQ-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP CCC[C@H]1C[NH2+]CCN1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000627182825 368851587 /nfs/dbraw/zinc/85/15/87/368851587.db2.gz DACSQYQJXSHTEQ-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCc4[nH+]c[nH]c4C3)C[C@H]21 ZINC000627655809 369069319 /nfs/dbraw/zinc/06/93/19/369069319.db2.gz IWUWFWOSVXLNAK-PUHVVEEASA-N 2 2 274.368 0.533 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCc4[nH]c[nH+]c4C3)C[C@H]21 ZINC000627655809 369069322 /nfs/dbraw/zinc/06/93/22/369069322.db2.gz IWUWFWOSVXLNAK-PUHVVEEASA-N 2 2 274.368 0.533 20 0 CCADLP CC[NH+](CC)CC(=O)N1CCN(Cc2[nH]cc(C)[nH+]2)CC1 ZINC000628163052 369196059 /nfs/dbraw/zinc/19/60/59/369196059.db2.gz NVIYRTAXQZIGMJ-UHFFFAOYSA-N 2 2 293.415 0.704 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cnc(C3CC3)o2)CC1 ZINC000628209643 369212872 /nfs/dbraw/zinc/21/28/72/369212872.db2.gz MTKOWQLVBQTTTB-UHFFFAOYSA-N 2 2 278.356 0.416 20 0 CCADLP CC(C)([NH3+])c1noc(C[NH+]2CCC(CC[NH3+])CC2)n1 ZINC000567116599 291460509 /nfs/dbraw/zinc/46/05/09/291460509.db2.gz DAHTYWQFJLBJHG-UHFFFAOYSA-N 3 2 267.377 0.824 20 0 CCADLP Cc1c[nH]c(CN2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)[nH+]1 ZINC000628255321 369225209 /nfs/dbraw/zinc/22/52/09/369225209.db2.gz JFCRDPCXGBQEAZ-VXGBXAGGSA-N 2 2 252.362 0.605 20 0 CCADLP Cc1c[nH]c(CN2CC[N@H+](C[C@@H](C)O)C[C@H]2C)[nH+]1 ZINC000628255321 369225213 /nfs/dbraw/zinc/22/52/13/369225213.db2.gz JFCRDPCXGBQEAZ-VXGBXAGGSA-N 2 2 252.362 0.605 20 0 CCADLP Cc1ccc(CCC[NH2+]CCN2CC[C@H](O)C2)c[nH+]1 ZINC000628498487 369279277 /nfs/dbraw/zinc/27/92/77/369279277.db2.gz PDBYLRXCFSWZIX-HNNXBMFYSA-N 2 2 263.385 0.979 20 0 CCADLP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2C)cn1 ZINC000628918796 369461683 /nfs/dbraw/zinc/46/16/83/369461683.db2.gz GJHJVGDZOXGBKR-AWEZNQCLSA-N 2 2 292.383 0.204 20 0 CCADLP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2C)cn1 ZINC000628918796 369461687 /nfs/dbraw/zinc/46/16/87/369461687.db2.gz GJHJVGDZOXGBKR-AWEZNQCLSA-N 2 2 292.383 0.204 20 0 CCADLP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2C)cn1 ZINC000628918803 369461793 /nfs/dbraw/zinc/46/17/93/369461793.db2.gz GJHJVGDZOXGBKR-CQSZACIVSA-N 2 2 292.383 0.204 20 0 CCADLP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2C)cn1 ZINC000628918803 369461795 /nfs/dbraw/zinc/46/17/95/369461795.db2.gz GJHJVGDZOXGBKR-CQSZACIVSA-N 2 2 292.383 0.204 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1CCn1cc[nH+]c1C ZINC000351103342 284155007 /nfs/dbraw/zinc/15/50/07/284155007.db2.gz QYXYWNLLYNZPNG-STQMWFEESA-N 2 2 281.356 0.844 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1CCn1cc[nH+]c1C ZINC000351103342 284155009 /nfs/dbraw/zinc/15/50/09/284155009.db2.gz QYXYWNLLYNZPNG-STQMWFEESA-N 2 2 281.356 0.844 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N=c1ccn(CC[NH+](C)C)[nH]1 ZINC000330893204 203359568 /nfs/dbraw/zinc/35/95/68/203359568.db2.gz LAPHZYSAYNOLBA-CHWSQXEVSA-N 2 2 293.415 0.678 20 0 CCADLP CCOC(=O)[C@@](C)(O)C[NH+]1CCC([NH+](C)C)CC1 ZINC000330926510 203395133 /nfs/dbraw/zinc/39/51/33/203395133.db2.gz VVRYEESETMLMEE-ZDUSSCGKSA-N 2 2 258.362 0.327 20 0 CCADLP CC(C)N1CC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1=O ZINC000629565220 369712757 /nfs/dbraw/zinc/71/27/57/369712757.db2.gz KGKNRWSDZGAHRH-QWHCGFSZSA-N 2 2 269.389 0.042 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]CC2([NH3+])CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000629521285 369690497 /nfs/dbraw/zinc/69/04/97/369690497.db2.gz PHDYNYOKJNATNV-IHRRRGAJSA-N 3 2 267.417 0.957 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]CC2([NH3+])CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000629521285 369690499 /nfs/dbraw/zinc/69/04/99/369690499.db2.gz PHDYNYOKJNATNV-IHRRRGAJSA-N 3 2 267.417 0.957 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc[nH]c1=O ZINC000629544219 369697303 /nfs/dbraw/zinc/69/73/03/369697303.db2.gz IEHWTWGLCAUWTK-PWSUYJOCSA-N 2 2 251.330 0.644 20 0 CCADLP C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCO2)C1C[NH2+]C1 ZINC000629548459 369700359 /nfs/dbraw/zinc/70/03/59/369700359.db2.gz FLGKUEFKRYBENM-SNVBAGLBSA-N 2 2 291.351 0.594 20 0 CCADLP CN1CCC[C@H]1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000629551244 369701965 /nfs/dbraw/zinc/70/19/65/369701965.db2.gz SSIOWRSXIRSLIO-BFHYXJOUSA-N 2 2 253.390 0.437 20 0 CCADLP O[C@@H](C[NH2+]CCc1cn2ccccc2[nH+]1)C[NH+]1CCCC1 ZINC000629554778 369703570 /nfs/dbraw/zinc/70/35/70/369703570.db2.gz QSDKXOJVNYBUCP-HNNXBMFYSA-N 3 2 288.395 0.923 20 0 CCADLP CC(C)(C)[NH2+]CC[NH+]1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000629655081 369749754 /nfs/dbraw/zinc/74/97/54/369749754.db2.gz QJVFNLXMDPGKDV-UHFFFAOYSA-N 2 2 294.403 0.402 20 0 CCADLP C[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000276538897 193372771 /nfs/dbraw/zinc/37/27/71/193372771.db2.gz FZZKQNMNEGLIDU-HAXFYCRJSA-N 2 2 290.367 0.602 20 0 CCADLP CS(=O)(=O)C1(C[NH2+]C[C@H](O)C[NH+]2CCCC2)CCC1 ZINC000629579944 369723556 /nfs/dbraw/zinc/72/35/56/369723556.db2.gz YVWWZSMXQROHKX-LBPRGKRZSA-N 2 2 290.429 0.000 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584277 369728328 /nfs/dbraw/zinc/72/83/28/369728328.db2.gz NYFNIFLEIFPEEX-LEWSCRJBSA-N 2 2 251.374 0.585 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584277 369728331 /nfs/dbraw/zinc/72/83/31/369728331.db2.gz NYFNIFLEIFPEEX-LEWSCRJBSA-N 2 2 251.374 0.585 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000276592443 193392794 /nfs/dbraw/zinc/39/27/94/193392794.db2.gz NIZFGCSTXKFHEV-CYBMUJFWSA-N 2 2 280.372 0.257 20 0 CCADLP COC[C@@H](C)OC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000629590463 369731140 /nfs/dbraw/zinc/73/11/40/369731140.db2.gz CKIOJRWXTLCWEG-JHJVBQTASA-N 2 2 260.378 0.083 20 0 CCADLP COC[C@@H](C)OC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000629590463 369731145 /nfs/dbraw/zinc/73/11/45/369731145.db2.gz CKIOJRWXTLCWEG-JHJVBQTASA-N 2 2 260.378 0.083 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)NCC[N@@H+]3CC[C@H](O)C3)ccn12 ZINC000629918143 369836312 /nfs/dbraw/zinc/83/63/12/369836312.db2.gz YSHCYTSNDRKHOU-ZDUSSCGKSA-N 2 2 288.351 0.439 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)NCC[N@H+]3CC[C@H](O)C3)ccn12 ZINC000629918143 369836315 /nfs/dbraw/zinc/83/63/15/369836315.db2.gz YSHCYTSNDRKHOU-ZDUSSCGKSA-N 2 2 288.351 0.439 20 0 CCADLP C[C@H](NC(=O)C[N@H+](C)C1CCC1)[C@@H]1C[NH+](C)CCO1 ZINC000629974994 369864101 /nfs/dbraw/zinc/86/41/01/369864101.db2.gz NOPALZIKJCNUQJ-AAEUAGOBSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@H](NC(=O)C[N@@H+](C)C1CCC1)[C@@H]1C[NH+](C)CCO1 ZINC000629974994 369864103 /nfs/dbraw/zinc/86/41/03/369864103.db2.gz NOPALZIKJCNUQJ-AAEUAGOBSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@H](NC(=O)C[NH+](C)C1CCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000629974994 369864104 /nfs/dbraw/zinc/86/41/04/369864104.db2.gz NOPALZIKJCNUQJ-AAEUAGOBSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@H](NC(=O)C[NH+](C)C1CCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000629974994 369864106 /nfs/dbraw/zinc/86/41/06/369864106.db2.gz NOPALZIKJCNUQJ-AAEUAGOBSA-N 2 2 269.389 0.306 20 0 CCADLP C[N@H+](CC(=O)NCC1([NH+]2CCOCC2)CC1)C1CCC1 ZINC000629986540 369872711 /nfs/dbraw/zinc/87/27/11/369872711.db2.gz AQHMEDLBMRZDSW-UHFFFAOYSA-N 2 2 281.400 0.452 20 0 CCADLP C[N@@H+](CC(=O)NCC1([NH+]2CCOCC2)CC1)C1CCC1 ZINC000629986540 369872716 /nfs/dbraw/zinc/87/27/16/369872716.db2.gz AQHMEDLBMRZDSW-UHFFFAOYSA-N 2 2 281.400 0.452 20 0 CCADLP Cc1ccc(CN2C(=O)NC3(CC[NH2+]CC3)C2=O)c(C)[nH+]1 ZINC000567498344 291488293 /nfs/dbraw/zinc/48/82/93/291488293.db2.gz RAFYPKJREJRRCP-UHFFFAOYSA-N 2 2 288.351 0.872 20 0 CCADLP CC[C@@H]([NH3+])c1cn(CC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000630612290 370209546 /nfs/dbraw/zinc/20/95/46/370209546.db2.gz UCEGZNQWUJNLSE-GFCCVEGCSA-N 3 2 268.409 0.571 20 0 CCADLP CC[C@@H]([NH3+])c1cn(CC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000630612290 370209549 /nfs/dbraw/zinc/20/95/49/370209549.db2.gz UCEGZNQWUJNLSE-GFCCVEGCSA-N 3 2 268.409 0.571 20 0 CCADLP CCC[C@H]([NH3+])c1cn(CC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000630611899 370209713 /nfs/dbraw/zinc/20/97/13/370209713.db2.gz MRFGMPDQDNHLAH-ZDUSSCGKSA-N 3 2 282.436 0.962 20 0 CCADLP CCC[C@H]([NH3+])c1cn(CC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000630611899 370209716 /nfs/dbraw/zinc/20/97/16/370209716.db2.gz MRFGMPDQDNHLAH-ZDUSSCGKSA-N 3 2 282.436 0.962 20 0 CCADLP COC1CC[NH+](Cc2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000630606283 370204263 /nfs/dbraw/zinc/20/42/63/370204263.db2.gz WAPHCVWZJIKWRG-LBPRGKRZSA-N 2 2 279.388 0.641 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCn1cc(C[NH+]2CCCC2)nn1 ZINC000630610253 370208008 /nfs/dbraw/zinc/20/80/08/370208008.db2.gz IMSSNWKGNZZDHQ-UHFFFAOYSA-N 3 2 294.447 0.757 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCn1cc(C[NH+]2CCCC2)nn1 ZINC000630610253 370208013 /nfs/dbraw/zinc/20/80/13/370208013.db2.gz IMSSNWKGNZZDHQ-UHFFFAOYSA-N 3 2 294.447 0.757 20 0 CCADLP CN(CCC[NH+](C)C)CCn1cc(C[NH+]2CCCC2)nn1 ZINC000630610253 370208021 /nfs/dbraw/zinc/20/80/21/370208021.db2.gz IMSSNWKGNZZDHQ-UHFFFAOYSA-N 2 2 294.447 0.757 20 0 CCADLP Cc1nc(NC[C@@H](CC(C)C)[NH+](C)C)nc(N)[nH+]1 ZINC000631050706 370368538 /nfs/dbraw/zinc/36/85/38/370368538.db2.gz KEOAMUJLUPGKPR-SNVBAGLBSA-N 2 2 252.366 0.403 20 0 CCADLP Cc1nc(NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)nc(N)[nH+]1 ZINC000631051651 370369277 /nfs/dbraw/zinc/36/92/77/370369277.db2.gz MTHHFUCBODQBCT-UWVGGRQHSA-N 2 2 294.403 0.314 20 0 CCADLP Cc1nc(NC2CC[NH+](CCOC(C)C)CC2)nc(N)[nH+]1 ZINC000631143672 370398538 /nfs/dbraw/zinc/39/85/38/370398538.db2.gz VNTBIFNXRUSLIY-UHFFFAOYSA-N 2 2 294.403 0.894 20 0 CCADLP Cc1nc(N)nc(NC2CC[NH+](CCOC(C)C)CC2)[nH+]1 ZINC000631143672 370398545 /nfs/dbraw/zinc/39/85/45/370398545.db2.gz VNTBIFNXRUSLIY-UHFFFAOYSA-N 2 2 294.403 0.894 20 0 CCADLP Cc1nc(N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)nc(N)[nH+]1 ZINC000631160809 370405821 /nfs/dbraw/zinc/40/58/21/370405821.db2.gz LXICCLWKVURGIE-WCBMZHEXSA-N 2 2 250.350 0.733 20 0 CCADLP Cc1nc(N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)nc(N)[nH+]1 ZINC000631160809 370405823 /nfs/dbraw/zinc/40/58/23/370405823.db2.gz LXICCLWKVURGIE-WCBMZHEXSA-N 2 2 250.350 0.733 20 0 CCADLP Cc1nc(N2CCC[C@H](C[NH+]3CCOCC3)C2)nc(N)[nH+]1 ZINC000631272672 370447948 /nfs/dbraw/zinc/44/79/48/370447948.db2.gz LBKFQGOVPZFPSW-GFCCVEGCSA-N 2 2 292.387 0.141 20 0 CCADLP C[NH+](C)CCn1cc(C(=O)N2CC(n3cc[nH+]c3)C2)cn1 ZINC000631301886 370464078 /nfs/dbraw/zinc/46/40/78/370464078.db2.gz VKBLLSJMSWQLEB-UHFFFAOYSA-N 2 2 288.355 0.338 20 0 CCADLP CN(C(=O)C1CSC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000631247280 370437376 /nfs/dbraw/zinc/43/73/76/370437376.db2.gz SNTUYILKZVVZAL-CQSZACIVSA-N 2 2 297.468 0.976 20 0 CCADLP CN(C(=O)C1CSC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000631247280 370437379 /nfs/dbraw/zinc/43/73/79/370437379.db2.gz SNTUYILKZVVZAL-CQSZACIVSA-N 2 2 297.468 0.976 20 0 CCADLP CC[C@@]1(O)CCC[N@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000640036412 376203686 /nfs/dbraw/zinc/20/36/86/376203686.db2.gz ROSGZARUBQRVAC-ZIAGYGMSSA-N 2 2 274.405 0.162 20 0 CCADLP CC[C@@]1(O)CCC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000640036412 376203691 /nfs/dbraw/zinc/20/36/91/376203691.db2.gz ROSGZARUBQRVAC-ZIAGYGMSSA-N 2 2 274.405 0.162 20 0 CCADLP CC[C@@]1(O)CCC[NH+](C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000640036412 376203695 /nfs/dbraw/zinc/20/36/95/376203695.db2.gz ROSGZARUBQRVAC-ZIAGYGMSSA-N 2 2 274.405 0.162 20 0 CCADLP CC[C@@]1(O)CCC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000640036412 376203697 /nfs/dbraw/zinc/20/36/97/376203697.db2.gz ROSGZARUBQRVAC-ZIAGYGMSSA-N 2 2 274.405 0.162 20 0 CCADLP COC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375891959 284262333 /nfs/dbraw/zinc/26/23/33/284262333.db2.gz SMSHXVFNLNLRHR-KBPBESRZSA-N 2 2 283.416 0.648 20 0 CCADLP COC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375891959 284262338 /nfs/dbraw/zinc/26/23/38/284262338.db2.gz SMSHXVFNLNLRHR-KBPBESRZSA-N 2 2 283.416 0.648 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000633037774 371371617 /nfs/dbraw/zinc/37/16/17/371371617.db2.gz YECFERALTFMQDG-UHFFFAOYSA-N 2 2 295.387 0.662 20 0 CCADLP CC[NH+](CC)CCn1cc(CC[NH+]2CCOCC2)nn1 ZINC000656439205 412792372 /nfs/dbraw/zinc/79/23/72/412792372.db2.gz NSVIJQRUZVQUDN-UHFFFAOYSA-N 2 2 281.404 0.495 20 0 CCADLP Cc1[nH]c2ccc(-n3cc([C@H]([NH3+])CO)nn3)cc2[nH+]1 ZINC000656438650 412792569 /nfs/dbraw/zinc/79/25/69/412792569.db2.gz ADZYXFNFTAVKAK-SECBINFHSA-N 2 2 258.285 0.444 20 0 CCADLP Cc1[nH]c2cc(-n3cc([C@H]([NH3+])CO)nn3)ccc2[nH+]1 ZINC000656438650 412792570 /nfs/dbraw/zinc/79/25/70/412792570.db2.gz ADZYXFNFTAVKAK-SECBINFHSA-N 2 2 258.285 0.444 20 0 CCADLP C[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)c1[nH+]ccn1C ZINC000633649449 371657353 /nfs/dbraw/zinc/65/73/53/371657353.db2.gz OQRITATWHQSMGQ-LLVKDONJSA-N 2 2 290.371 0.669 20 0 CCADLP CCOC(=O)C[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000337339487 214015940 /nfs/dbraw/zinc/01/59/40/214015940.db2.gz ROVSRFGISCYDQZ-UHFFFAOYSA-N 2 2 285.432 0.897 20 0 CCADLP CCOC(=O)C[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000337339487 214015944 /nfs/dbraw/zinc/01/59/44/214015944.db2.gz ROVSRFGISCYDQZ-UHFFFAOYSA-N 2 2 285.432 0.897 20 0 CCADLP COCCn1cc(C[NH2+]C2CC[NH+](CCOC)CC2)cn1 ZINC000337363231 214031235 /nfs/dbraw/zinc/03/12/35/214031235.db2.gz ADYOOFACOOGLKX-UHFFFAOYSA-N 2 2 296.415 0.730 20 0 CCADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NC[C@@H]1CCCC[NH2+]1 ZINC000634272006 371993141 /nfs/dbraw/zinc/99/31/41/371993141.db2.gz XWRMFRKUOVUPMV-MELADBBJSA-N 2 2 296.415 0.291 20 0 CCADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NC[C@@H]1CCCC[NH2+]1 ZINC000634272006 371993144 /nfs/dbraw/zinc/99/31/44/371993144.db2.gz XWRMFRKUOVUPMV-MELADBBJSA-N 2 2 296.415 0.291 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)C[C@](C)(O)C1CC1 ZINC000634708548 372154216 /nfs/dbraw/zinc/15/42/16/372154216.db2.gz WLSFIDVKOTXAEW-FWYOQMDTSA-N 2 2 282.428 0.971 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)C[C@](C)(O)C1CC1 ZINC000634708548 372154221 /nfs/dbraw/zinc/15/42/21/372154221.db2.gz WLSFIDVKOTXAEW-FWYOQMDTSA-N 2 2 282.428 0.971 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCCn2nccc21)C1CC1 ZINC000634730888 372176334 /nfs/dbraw/zinc/17/63/34/372176334.db2.gz WRDZFDBPLBWBQT-QWHCGFSZSA-N 2 2 264.373 0.763 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCCn2nccc21)C1CC1 ZINC000634730888 372176340 /nfs/dbraw/zinc/17/63/40/372176340.db2.gz WRDZFDBPLBWBQT-QWHCGFSZSA-N 2 2 264.373 0.763 20 0 CCADLP O[C@@H](Cn1cc[nH+]c1C1CC1)C[NH+]1CCOCC1 ZINC000634650747 372122858 /nfs/dbraw/zinc/12/28/58/372122858.db2.gz UFKRINVZVJQFMK-GFCCVEGCSA-N 2 2 251.330 0.454 20 0 CCADLP O=C1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)CCN1 ZINC000634960975 372314308 /nfs/dbraw/zinc/31/43/08/372314308.db2.gz HGFRGJNYQPECRF-OLZOCXBDSA-N 2 2 251.374 0.729 20 0 CCADLP O=C1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)CCN1 ZINC000634960975 372314313 /nfs/dbraw/zinc/31/43/13/372314313.db2.gz HGFRGJNYQPECRF-OLZOCXBDSA-N 2 2 251.374 0.729 20 0 CCADLP CCc1nn(C)cc1C[NH+]1CCC([NH2+]CCO)CC1 ZINC000635001083 372337197 /nfs/dbraw/zinc/33/71/97/372337197.db2.gz FTRUAXUGDCBZEV-UHFFFAOYSA-N 2 2 266.389 0.529 20 0 CCADLP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000635003250 372340535 /nfs/dbraw/zinc/34/05/35/372340535.db2.gz BCXYRYAWOKGQRL-NGFQHRJXSA-N 3 2 267.417 0.861 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635066961 372363078 /nfs/dbraw/zinc/36/30/78/372363078.db2.gz GOTKALFGRSOQIG-GHMZBOCLSA-N 2 2 259.313 0.916 20 0 CCADLP C[NH+](C)CC1(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000635067279 372364620 /nfs/dbraw/zinc/36/46/20/372364620.db2.gz OYVNUDQHPGUADA-UHFFFAOYSA-N 2 2 250.346 0.731 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635313687 372456264 /nfs/dbraw/zinc/45/62/64/372456264.db2.gz NGWLMTLQYHVTSP-DZGCQCFKSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635313687 372456267 /nfs/dbraw/zinc/45/62/67/372456267.db2.gz NGWLMTLQYHVTSP-DZGCQCFKSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635516903 372579701 /nfs/dbraw/zinc/57/97/01/372579701.db2.gz IXQIDGAEXMGXKL-HIFRSBDPSA-N 2 2 295.427 0.528 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635516903 372579707 /nfs/dbraw/zinc/57/97/07/372579707.db2.gz IXQIDGAEXMGXKL-HIFRSBDPSA-N 2 2 295.427 0.528 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@@H](O)C1 ZINC000635561651 372633824 /nfs/dbraw/zinc/63/38/24/372633824.db2.gz TUSAAOWUBRPVQX-XBXGTLAGSA-N 2 2 283.416 0.242 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@@H](O)C1 ZINC000635561651 372633833 /nfs/dbraw/zinc/63/38/33/372633833.db2.gz TUSAAOWUBRPVQX-XBXGTLAGSA-N 2 2 283.416 0.242 20 0 CCADLP Cc1ccc2[nH+]c(Cn3cc(C[C@@H]([NH3+])CO)nn3)cn2c1 ZINC000656448471 412799515 /nfs/dbraw/zinc/79/95/15/412799515.db2.gz IHHREHNSCNNADV-LLVKDONJSA-N 2 2 286.339 0.145 20 0 CCADLP Cc1ccc2[nH+]c(Cn3cc(C[C@H]([NH3+])CO)nn3)cn2c1 ZINC000656448472 412799958 /nfs/dbraw/zinc/79/99/58/412799958.db2.gz IHHREHNSCNNADV-NSHDSACASA-N 2 2 286.339 0.145 20 0 CCADLP Cc1cn2cc(NC(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)ccc2[nH+]1 ZINC000333144744 205068425 /nfs/dbraw/zinc/06/84/25/205068425.db2.gz LPZQFSIIXGUEHX-PJXYFTJBSA-N 2 2 271.324 0.982 20 0 CCADLP Cc1cn2ccc(C(=O)NC[C@](C)(O)C[NH+](C)C)cc2[nH+]1 ZINC000635727523 372822749 /nfs/dbraw/zinc/82/27/49/372822749.db2.gz LMNYIKBSLXIZDH-HNNXBMFYSA-N 2 2 290.367 0.685 20 0 CCADLP C[NH+](C)CC1(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000635820515 372953528 /nfs/dbraw/zinc/95/35/28/372953528.db2.gz PDHALGXJZCFAGJ-LLVKDONJSA-N 2 2 262.357 0.656 20 0 CCADLP O=C(NCC[N@@H+]1CCCOCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000333425277 205309607 /nfs/dbraw/zinc/30/96/07/205309607.db2.gz IPBLBIFPUGBJSP-CYBMUJFWSA-N 2 2 292.383 0.284 20 0 CCADLP O=C(NCC[N@H+]1CCCOCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000333425277 205309609 /nfs/dbraw/zinc/30/96/09/205309609.db2.gz IPBLBIFPUGBJSP-CYBMUJFWSA-N 2 2 292.383 0.284 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N[C@H]1CCC[NH2+][C@H]1C)[NH+]1CCOCC1 ZINC000333436761 205318869 /nfs/dbraw/zinc/31/88/69/205318869.db2.gz VLINWCNJBICXIC-FQUUOJAGSA-N 2 2 298.431 0.535 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CCC[C@](O)(C[NH+](C)C)C2)[nH+]1 ZINC000635860666 373015832 /nfs/dbraw/zinc/01/58/32/373015832.db2.gz CHIJPKMIXVRDLT-HNNXBMFYSA-N 2 2 294.399 0.430 20 0 CCADLP [NH3+][C@@H](c1cn(-c2cc[nH+]c(CO)c2)nn1)[C@H]1CCCO1 ZINC000656458998 412805473 /nfs/dbraw/zinc/80/54/73/412805473.db2.gz LHNQNKXJXMQBLI-OLZOCXBDSA-N 2 2 275.312 0.333 20 0 CCADLP C[N@@H+]1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@H]2C1 ZINC000635954580 373154531 /nfs/dbraw/zinc/15/45/31/373154531.db2.gz NKGGGRRDZOECGU-UZWSLXQKSA-N 2 2 260.341 0.676 20 0 CCADLP C[N@H+]1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@H]2C1 ZINC000635954580 373154536 /nfs/dbraw/zinc/15/45/36/373154536.db2.gz NKGGGRRDZOECGU-UZWSLXQKSA-N 2 2 260.341 0.676 20 0 CCADLP C[N@@H+]1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@H]2C1 ZINC000635954580 373154541 /nfs/dbraw/zinc/15/45/41/373154541.db2.gz NKGGGRRDZOECGU-UZWSLXQKSA-N 2 2 260.341 0.676 20 0 CCADLP C[N@H+]1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@H]2C1 ZINC000635954580 373154547 /nfs/dbraw/zinc/15/45/47/373154547.db2.gz NKGGGRRDZOECGU-UZWSLXQKSA-N 2 2 260.341 0.676 20 0 CCADLP CC(C)C[C@@H](C(=O)N[C@H](CO)C[NH+](C)C)n1cc[nH+]c1 ZINC000635929126 373119498 /nfs/dbraw/zinc/11/94/98/373119498.db2.gz QKFIYSUYJOKFHO-STQMWFEESA-N 2 2 282.388 0.509 20 0 CCADLP C[C@H](C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC000635976611 373193235 /nfs/dbraw/zinc/19/32/35/373193235.db2.gz XBTOFSZSQABDOG-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CCC(C)(C)[C@H](O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000636172565 373428798 /nfs/dbraw/zinc/42/87/98/373428798.db2.gz YEBZRNLNXJRSFX-CYBMUJFWSA-N 2 2 287.448 0.783 20 0 CCADLP CCC(C)(C)[C@H](O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000636172565 373428810 /nfs/dbraw/zinc/42/88/10/373428810.db2.gz YEBZRNLNXJRSFX-CYBMUJFWSA-N 2 2 287.448 0.783 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[NH2+]1 ZINC000636238329 373478557 /nfs/dbraw/zinc/47/85/57/373478557.db2.gz CSDWUVXHFABQSJ-WZRBSPASSA-N 2 2 262.357 0.970 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[NH2+]1 ZINC000636238329 373478563 /nfs/dbraw/zinc/47/85/63/373478563.db2.gz CSDWUVXHFABQSJ-WZRBSPASSA-N 2 2 262.357 0.970 20 0 CCADLP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636580956 373655305 /nfs/dbraw/zinc/65/53/05/373655305.db2.gz QXBFGSIZJLAELN-VXGBXAGGSA-N 2 2 289.383 0.591 20 0 CCADLP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636580956 373655309 /nfs/dbraw/zinc/65/53/09/373655309.db2.gz QXBFGSIZJLAELN-VXGBXAGGSA-N 2 2 289.383 0.591 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)NCCC[NH+]1CCOCC1 ZINC000636448101 373603124 /nfs/dbraw/zinc/60/31/24/373603124.db2.gz VYONGMGRICIVCS-UHFFFAOYSA-N 2 2 281.360 0.273 20 0 CCADLP Cc1cn[nH]c1C[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000289509481 197384209 /nfs/dbraw/zinc/38/42/09/197384209.db2.gz MYLHXONRLITRAG-UHFFFAOYSA-N 2 2 279.388 0.360 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1COCC[NH+]1C ZINC000637445221 374170410 /nfs/dbraw/zinc/17/04/10/374170410.db2.gz XLOZWQVXXJMKLV-RDBSUJKOSA-N 2 2 298.431 0.299 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1COCC[NH+]1C ZINC000637445221 374170413 /nfs/dbraw/zinc/17/04/13/374170413.db2.gz XLOZWQVXXJMKLV-RDBSUJKOSA-N 2 2 298.431 0.299 20 0 CCADLP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637445221 374170418 /nfs/dbraw/zinc/17/04/18/374170418.db2.gz XLOZWQVXXJMKLV-RDBSUJKOSA-N 2 2 298.431 0.299 20 0 CCADLP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000637445221 374170422 /nfs/dbraw/zinc/17/04/22/374170422.db2.gz XLOZWQVXXJMKLV-RDBSUJKOSA-N 2 2 298.431 0.299 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CCC[C@H](C[NH2+]C)C2)[nH+]1 ZINC000637799766 374325709 /nfs/dbraw/zinc/32/57/09/374325709.db2.gz PYVWYCNGGIFLCM-LLVKDONJSA-N 2 2 264.373 0.973 20 0 CCADLP C[N@@H+]1CCN(Cc2c[nH+]c(N)nc2N)[C@H](c2ccccc2)C1 ZINC000637811906 374344910 /nfs/dbraw/zinc/34/49/10/374344910.db2.gz ZBAUCVVWAICQEX-AWEZNQCLSA-N 2 2 298.394 0.790 20 0 CCADLP C[N@H+]1CCN(Cc2c[nH+]c(N)nc2N)[C@H](c2ccccc2)C1 ZINC000637811906 374344916 /nfs/dbraw/zinc/34/49/16/374344916.db2.gz ZBAUCVVWAICQEX-AWEZNQCLSA-N 2 2 298.394 0.790 20 0 CCADLP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N1CCC[NH2+]CC1 ZINC000637804023 374333409 /nfs/dbraw/zinc/33/34/09/374333409.db2.gz RTXMCUAEJBOAIY-OAHLLOKOSA-N 2 2 290.411 0.268 20 0 CCADLP CC(C)C[C@H](C(=O)N[C@@H]1CC[NH2+]C1)n1cc[nH+]c1 ZINC000637810221 374343200 /nfs/dbraw/zinc/34/32/00/374343200.db2.gz BSPJONGSYNWFPF-VXGBXAGGSA-N 2 2 250.346 0.948 20 0 CCADLP CCc1c[nH]c(CC(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)[nH+]1 ZINC000637839035 374386742 /nfs/dbraw/zinc/38/67/42/374386742.db2.gz FXKUXLVYYLMUMB-AOOOYVTPSA-N 2 2 250.346 0.723 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N(C)CCC[NH3+])CC2 ZINC000637852056 374409841 /nfs/dbraw/zinc/40/98/41/374409841.db2.gz AHUTVZQXOCVRGP-LLVKDONJSA-N 2 2 250.346 0.561 20 0 CCADLP CC(C)CC[C@@H]([NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000638047929 374590578 /nfs/dbraw/zinc/59/05/78/374590578.db2.gz KRPAWSZFXLIZGO-GFCCVEGCSA-N 2 2 257.378 0.198 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)[C@]3(C)C[NH2+]CCO3)cn2c1 ZINC000638076977 374632646 /nfs/dbraw/zinc/63/26/46/374632646.db2.gz NUSOFPOAXNYXKQ-HNNXBMFYSA-N 2 2 288.351 0.637 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@@H](C)[NH+]2CCSCC2)[C@@H](C)C1 ZINC000334220486 206212309 /nfs/dbraw/zinc/21/23/09/206212309.db2.gz RQQZQPXSWYNQDM-QWHCGFSZSA-N 2 2 285.457 0.976 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@@H](C)[NH+]2CCSCC2)[C@@H](C)C1 ZINC000334220486 206212314 /nfs/dbraw/zinc/21/23/14/206212314.db2.gz RQQZQPXSWYNQDM-QWHCGFSZSA-N 2 2 285.457 0.976 20 0 CCADLP [NH3+][C@@H]1CCO[C@@H]1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000638060666 374607054 /nfs/dbraw/zinc/60/70/54/374607054.db2.gz NXSSMAQYLOQWIY-PWSUYJOCSA-N 2 2 294.742 0.720 20 0 CCADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000638061814 374607594 /nfs/dbraw/zinc/60/75/94/374607594.db2.gz HUZOEDKGHLSZBX-GXTWGEPZSA-N 2 2 267.373 0.060 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@]2(C)C[NH2+]CCO2)c[nH+]1 ZINC000638069741 374617847 /nfs/dbraw/zinc/61/78/47/374617847.db2.gz RZRYTRRBPFALAC-AWEZNQCLSA-N 2 2 278.356 0.142 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@@]2(C[NH3+])CCCOC2)c[nH+]1 ZINC000638069265 374618040 /nfs/dbraw/zinc/61/80/40/374618040.db2.gz OHNWLSYPOSRXMY-OAHLLOKOSA-N 2 2 292.383 0.519 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)NCC[NH+]1CCSCC1 ZINC000638070352 374620442 /nfs/dbraw/zinc/62/04/42/374620442.db2.gz YXMSWNRDZFOBAL-UHFFFAOYSA-N 2 2 283.397 0.825 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)NCCCNc1cccc[nH+]1 ZINC000638072530 374623339 /nfs/dbraw/zinc/62/33/39/374623339.db2.gz NSHKCZLSJUAJMA-NSHDSACASA-N 2 2 250.346 0.998 20 0 CCADLP CO[C@H]1C[NH2+][C@](C)(C(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000638088831 374648904 /nfs/dbraw/zinc/64/89/04/374648904.db2.gz PZRKTFFMIFYMPO-HIFRSBDPSA-N 2 2 292.383 0.814 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)[C@]3(C)C[NH2+]CCO3)cn21 ZINC000638112987 374680813 /nfs/dbraw/zinc/68/08/13/374680813.db2.gz PFYSOXZXNNYLGM-HNNXBMFYSA-N 2 2 288.351 0.637 20 0 CCADLP C[C@]1(C(=O)Nc2ccc3[nH+]ccn3c2)C[NH2+]CCO1 ZINC000638117112 374684399 /nfs/dbraw/zinc/68/43/99/374684399.db2.gz RTOFYYPLIGHYNK-CYBMUJFWSA-N 2 2 260.297 0.651 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)CC2 ZINC000638176880 374761732 /nfs/dbraw/zinc/76/17/32/374761732.db2.gz HRYFPKUDBDTXNF-CYZMBNFOSA-N 2 2 276.384 0.868 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000638163761 374740592 /nfs/dbraw/zinc/74/05/92/374740592.db2.gz HOPGQKXMDMTOQT-SDDRHHMPSA-N 2 2 262.357 0.846 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)[nH+]1 ZINC000638226259 374813689 /nfs/dbraw/zinc/81/36/89/374813689.db2.gz HKFROHYXNKZTTC-NEPJUHHUSA-N 2 2 278.356 0.104 20 0 CCADLP CC(C)CC[C@@H]([NH3+])C(=O)N(C)CC[NH+]1CCOCC1 ZINC000638275721 374877059 /nfs/dbraw/zinc/87/70/59/374877059.db2.gz NKBPVKIZDWBWFS-CYBMUJFWSA-N 2 2 271.405 0.541 20 0 CCADLP CO[C@H](C[NH2+]CCC[NH+]1CCOCC1)[C@H]1CCOC1 ZINC000638286326 374894419 /nfs/dbraw/zinc/89/44/19/374894419.db2.gz MNMGHSJPYRYHGT-UONOGXRCSA-N 2 2 272.389 0.350 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@H]1[C@H]3C[NH2+]C[C@H]31)CC2 ZINC000638244750 374836410 /nfs/dbraw/zinc/83/64/10/374836410.db2.gz KPMQVQBNGMCSDQ-MEWQQHAOSA-N 2 2 260.341 0.088 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H](C)[C@H](C)[NH3+])CC2 ZINC000638254005 374849386 /nfs/dbraw/zinc/84/93/86/374849386.db2.gz DYTPEOXOASMSHB-GARJFASQSA-N 2 2 250.346 0.606 20 0 CCADLP Nc1ncc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(N)n1 ZINC000638321815 374923650 /nfs/dbraw/zinc/92/36/50/374923650.db2.gz PWUXDCMTSFRGFJ-UHFFFAOYSA-N 2 2 262.361 0.018 20 0 CCADLP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCn1cc[nH+]c1 ZINC000638298014 374905391 /nfs/dbraw/zinc/90/53/91/374905391.db2.gz MLHLHYGHQDYNSP-NEPJUHHUSA-N 2 2 250.346 0.920 20 0 CCADLP C[C@H]1CCC[C@](CNCc2c[nH+]c(N)nc2N)([NH+](C)C)C1 ZINC000638411711 375008184 /nfs/dbraw/zinc/00/81/84/375008184.db2.gz PNLTTYYBMSSZQC-NHYWBVRUSA-N 2 2 292.431 0.902 20 0 CCADLP C[C@H]([NH3+])CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000638424442 375020667 /nfs/dbraw/zinc/02/06/67/375020667.db2.gz AHJFAAQWWRZVSS-JSGCOSHPSA-N 3 2 282.432 0.351 20 0 CCADLP C[C@H]([NH3+])CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000638424442 375020671 /nfs/dbraw/zinc/02/06/71/375020671.db2.gz AHJFAAQWWRZVSS-JSGCOSHPSA-N 3 2 282.432 0.351 20 0 CCADLP [NH3+][C@@H]1CC=C(C(=O)N(CC[NH+]2CCOCC2)CC2CC2)C1 ZINC000638427668 375024507 /nfs/dbraw/zinc/02/45/07/375024507.db2.gz XDGWUKJVQAGCKN-OAHLLOKOSA-N 2 2 293.411 0.605 20 0 CCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@H]1CC1(F)F ZINC000638440055 375042384 /nfs/dbraw/zinc/04/23/84/375042384.db2.gz NNOBXGGHMFCKAE-NXEZZACHSA-N 2 2 261.316 0.394 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@H]2CC[NH2+]C23CCC3)[nH+]1 ZINC000638511987 375103310 /nfs/dbraw/zinc/10/33/10/375103310.db2.gz IBEWOLRSDSYQLJ-NSHDSACASA-N 2 2 262.357 0.915 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000638443055 375046753 /nfs/dbraw/zinc/04/67/53/375046753.db2.gz IAYXIXKXGQYJIH-GFCCVEGCSA-N 2 2 283.397 0.518 20 0 CCADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000638443055 375046760 /nfs/dbraw/zinc/04/67/60/375046760.db2.gz IAYXIXKXGQYJIH-GFCCVEGCSA-N 2 2 283.397 0.518 20 0 CCADLP CCC[C@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)OCC ZINC000638456286 375060480 /nfs/dbraw/zinc/06/04/80/375060480.db2.gz BTTZFCJWBIDULU-VXGBXAGGSA-N 2 2 259.394 0.587 20 0 CCADLP Cc1cc(NCCNC(=O)CCC[NH3+])nc(C(C)C)[nH+]1 ZINC000638583462 375164987 /nfs/dbraw/zinc/16/49/87/375164987.db2.gz KKFRMSKPGFZMOJ-UHFFFAOYSA-N 2 2 279.388 0.597 20 0 CCADLP COc1ccccc1[C@@H]([NH3+])C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638608394 375188259 /nfs/dbraw/zinc/18/82/59/375188259.db2.gz AWTLNMMUWBZBEX-BXUZGUMPSA-N 2 2 293.367 0.142 20 0 CCADLP COc1ccccc1[C@@H]([NH3+])C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638608394 375188260 /nfs/dbraw/zinc/18/82/60/375188260.db2.gz AWTLNMMUWBZBEX-BXUZGUMPSA-N 2 2 293.367 0.142 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000638613006 375196770 /nfs/dbraw/zinc/19/67/70/375196770.db2.gz ZTWBBMHQZDDLEB-MELADBBJSA-N 2 2 283.416 0.731 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000638613006 375196774 /nfs/dbraw/zinc/19/67/74/375196774.db2.gz ZTWBBMHQZDDLEB-MELADBBJSA-N 2 2 283.416 0.731 20 0 CCADLP CO[C@]1(C[NH2+]C[C@@]2([NH+](C)C)CCSC2)CCOC1 ZINC000638721961 375320818 /nfs/dbraw/zinc/32/08/18/375320818.db2.gz PPHRNFKTOBVFDP-STQMWFEESA-N 2 2 274.430 0.819 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC(F)(F)C2)CC1 ZINC000334260950 206272962 /nfs/dbraw/zinc/27/29/62/206272962.db2.gz XDFCKHJCTFKQED-UHFFFAOYSA-N 2 2 261.316 0.492 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC(F)(F)C2)CC1 ZINC000334260950 206272963 /nfs/dbraw/zinc/27/29/63/206272963.db2.gz XDFCKHJCTFKQED-UHFFFAOYSA-N 2 2 261.316 0.492 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1C[C@H](C)[C@H](C[NH3+])C1)CC2 ZINC000638900264 375438730 /nfs/dbraw/zinc/43/87/30/375438730.db2.gz GUZPVNFZLVFSNV-CYZMBNFOSA-N 2 2 276.384 0.807 20 0 CCADLP CO[C@]1(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)CCOC1 ZINC000638917877 375455705 /nfs/dbraw/zinc/45/57/05/375455705.db2.gz JUGTVJGADLUUIY-MJBXVCDLSA-N 2 2 254.374 0.818 20 0 CCADLP CO[C@]1(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)CCOC1 ZINC000638917877 375455708 /nfs/dbraw/zinc/45/57/08/375455708.db2.gz JUGTVJGADLUUIY-MJBXVCDLSA-N 2 2 254.374 0.818 20 0 CCADLP CO[C@]1(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)CCOC1 ZINC000638917877 375455711 /nfs/dbraw/zinc/45/57/11/375455711.db2.gz JUGTVJGADLUUIY-MJBXVCDLSA-N 2 2 254.374 0.818 20 0 CCADLP CO[C@]1(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CCOC1 ZINC000638917877 375455715 /nfs/dbraw/zinc/45/57/15/375455715.db2.gz JUGTVJGADLUUIY-MJBXVCDLSA-N 2 2 254.374 0.818 20 0 CCADLP C[NH+]1CCC(n2cc(NC(=O)[C@@H]3CSC[NH2+]3)cn2)CC1 ZINC000638976888 375492311 /nfs/dbraw/zinc/49/23/11/375492311.db2.gz GIXMZZCEZDJSTB-LBPRGKRZSA-N 2 2 295.412 0.751 20 0 CCADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cnccn1 ZINC000638986732 375499105 /nfs/dbraw/zinc/49/91/05/375499105.db2.gz ZNBJOVWUSGZUIV-UHFFFAOYSA-N 2 2 284.323 0.534 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000639013244 375516288 /nfs/dbraw/zinc/51/62/88/375516288.db2.gz KIVBDMKOZCJNSK-SNVBAGLBSA-N 2 2 252.318 0.137 20 0 CCADLP [NH3+]CC12CC(C1)CN2c1cc(N2CCOCC2)[nH+]cn1 ZINC000656612112 412836206 /nfs/dbraw/zinc/83/62/06/412836206.db2.gz SIOPXRFMCUJLDZ-UHFFFAOYSA-N 2 2 275.356 0.241 20 0 CCADLP C[N@@H+]1CCC[C@@]2(CCN(Cc3c[nH+]c(N)nc3N)C2)C1 ZINC000639208515 375634291 /nfs/dbraw/zinc/63/42/91/375634291.db2.gz WWUVXUNMELLMCQ-CQSZACIVSA-N 2 2 276.388 0.219 20 0 CCADLP C[N@H+]1CCC[C@@]2(CCN(Cc3c[nH+]c(N)nc3N)C2)C1 ZINC000639208515 375634300 /nfs/dbraw/zinc/63/43/00/375634300.db2.gz WWUVXUNMELLMCQ-CQSZACIVSA-N 2 2 276.388 0.219 20 0 CCADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cnc(N)nc3N)C2)C1 ZINC000639208515 375634303 /nfs/dbraw/zinc/63/43/03/375634303.db2.gz WWUVXUNMELLMCQ-CQSZACIVSA-N 2 2 276.388 0.219 20 0 CCADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cnc(N)nc3N)C2)C1 ZINC000639208515 375634310 /nfs/dbraw/zinc/63/43/10/375634310.db2.gz WWUVXUNMELLMCQ-CQSZACIVSA-N 2 2 276.388 0.219 20 0 CCADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cnc(N)nc3N)C2)C1 ZINC000639208515 375634314 /nfs/dbraw/zinc/63/43/14/375634314.db2.gz WWUVXUNMELLMCQ-CQSZACIVSA-N 2 2 276.388 0.219 20 0 CCADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cnc(N)nc3N)C2)C1 ZINC000639208515 375634319 /nfs/dbraw/zinc/63/43/19/375634319.db2.gz WWUVXUNMELLMCQ-CQSZACIVSA-N 2 2 276.388 0.219 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000574638235 335035990 /nfs/dbraw/zinc/03/59/90/335035990.db2.gz ZKGJJEMRWZWLRJ-DOMZBBRYSA-N 2 2 296.415 0.685 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000574638235 335035992 /nfs/dbraw/zinc/03/59/92/335035992.db2.gz ZKGJJEMRWZWLRJ-DOMZBBRYSA-N 2 2 296.415 0.685 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](CCOC(C)(C)C)CC1 ZINC000058396132 284530406 /nfs/dbraw/zinc/53/04/06/284530406.db2.gz REQRWWCENNDXAT-UHFFFAOYSA-N 2 2 271.405 0.507 20 0 CCADLP C[C@H](Cc1cnccn1)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000639220550 375644992 /nfs/dbraw/zinc/64/49/92/375644992.db2.gz ZWPJTYHISPOXCP-KGLIPLIRSA-N 2 2 278.400 0.844 20 0 CCADLP C[C@H](Cc1cnccn1)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000639220550 375644995 /nfs/dbraw/zinc/64/49/95/375644995.db2.gz ZWPJTYHISPOXCP-KGLIPLIRSA-N 2 2 278.400 0.844 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@H](NCc2c[nH+]c(N)nc2N)C1 ZINC000639304941 375712731 /nfs/dbraw/zinc/71/27/31/375712731.db2.gz GEZSFSNFEMNURT-JTQLQIEISA-N 2 2 264.377 0.264 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@H](NCc2c[nH+]c(N)nc2N)C1 ZINC000639304941 375712735 /nfs/dbraw/zinc/71/27/35/375712735.db2.gz GEZSFSNFEMNURT-JTQLQIEISA-N 2 2 264.377 0.264 20 0 CCADLP CCn1cc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)nn1 ZINC000639309696 375715808 /nfs/dbraw/zinc/71/58/08/375715808.db2.gz NBYQHWSUYVLSGQ-UHFFFAOYSA-N 2 2 281.404 0.623 20 0 CCADLP C[N@H+](CC1C[NH+](C)C1)CC(C)(C)N1CCOCC1 ZINC000639309908 375718423 /nfs/dbraw/zinc/71/84/23/375718423.db2.gz OIUPHFCVMCAVJL-UHFFFAOYSA-N 2 2 255.406 0.591 20 0 CCADLP C[N@@H+](CC1C[NH+](C)C1)CC(C)(C)N1CCOCC1 ZINC000639309908 375718426 /nfs/dbraw/zinc/71/84/26/375718426.db2.gz OIUPHFCVMCAVJL-UHFFFAOYSA-N 2 2 255.406 0.591 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]CCC1CCOCC1 ZINC000639348251 375748858 /nfs/dbraw/zinc/74/88/58/375748858.db2.gz DMNVEEDLGAYWPM-AWEZNQCLSA-N 2 2 283.416 0.733 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]CCC1CCOCC1 ZINC000639348251 375748862 /nfs/dbraw/zinc/74/88/62/375748862.db2.gz DMNVEEDLGAYWPM-AWEZNQCLSA-N 2 2 283.416 0.733 20 0 CCADLP Cn1cc(CCC[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cn1 ZINC000639350433 375751324 /nfs/dbraw/zinc/75/13/24/375751324.db2.gz XXCNAHRTZLXOSQ-AWEZNQCLSA-N 2 2 293.415 0.282 20 0 CCADLP Cn1cc(CCC[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cn1 ZINC000639350433 375751332 /nfs/dbraw/zinc/75/13/32/375751332.db2.gz XXCNAHRTZLXOSQ-AWEZNQCLSA-N 2 2 293.415 0.282 20 0 CCADLP C[C@]12C[NH+](Cc3c[nH+]c4n3CCC4)C[C@]1(C)C(=O)NC2=O ZINC000639365929 375761130 /nfs/dbraw/zinc/76/11/30/375761130.db2.gz STPVIZHNSFIQPS-HUUCEWRRSA-N 2 2 288.351 0.314 20 0 CCADLP C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCc1c[nH+]cn1C ZINC000639474692 375794973 /nfs/dbraw/zinc/79/49/73/375794973.db2.gz QZEPAGJQSNNHFP-QWRGUYRKSA-N 2 2 250.346 0.548 20 0 CCADLP C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CCc1c[nH+]cn1C ZINC000639474692 375794979 /nfs/dbraw/zinc/79/49/79/375794979.db2.gz QZEPAGJQSNNHFP-QWRGUYRKSA-N 2 2 250.346 0.548 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+](C)CCN1CCCC1=O ZINC000639489621 375806477 /nfs/dbraw/zinc/80/64/77/375806477.db2.gz RBJYLYHRDQYNSO-UHFFFAOYSA-N 2 2 250.346 0.517 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+](C)CCN1CCCC1=O ZINC000639489621 375806483 /nfs/dbraw/zinc/80/64/83/375806483.db2.gz RBJYLYHRDQYNSO-UHFFFAOYSA-N 2 2 250.346 0.517 20 0 CCADLP Cc1[nH]c(CN2CCN(C(=O)C[NH+](C)C)CC2)[nH+]c1C ZINC000639450618 375787234 /nfs/dbraw/zinc/78/72/34/375787234.db2.gz UPWCWERLPPVEEM-UHFFFAOYSA-N 2 2 279.388 0.232 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000656702129 412843862 /nfs/dbraw/zinc/84/38/62/412843862.db2.gz LUCPKJANHMLWSX-BFHYXJOUSA-N 2 2 288.432 0.861 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000656702129 412843865 /nfs/dbraw/zinc/84/38/65/412843865.db2.gz LUCPKJANHMLWSX-BFHYXJOUSA-N 2 2 288.432 0.861 20 0 CCADLP C[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)C[C@]2(CCOC2)O1 ZINC000639621428 375865027 /nfs/dbraw/zinc/86/50/27/375865027.db2.gz TWEKTZXYCNZVPH-OCCSQVGLSA-N 2 2 265.357 0.842 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]CCO[C@@H]1CC1(F)F)C1CC1 ZINC000656709512 412845161 /nfs/dbraw/zinc/84/51/61/412845161.db2.gz XBOXRLVORZNAIN-WDEREUQCSA-N 2 2 264.316 0.455 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]CCO[C@@H]1CC1(F)F)C1CC1 ZINC000656709512 412845162 /nfs/dbraw/zinc/84/51/62/412845162.db2.gz XBOXRLVORZNAIN-WDEREUQCSA-N 2 2 264.316 0.455 20 0 CCADLP CON1CCC([N@H+](C)CCc2c[nH+]cn2C)CC1 ZINC000639668666 375899225 /nfs/dbraw/zinc/89/92/25/375899225.db2.gz LRRUMRTVXSQHGL-UHFFFAOYSA-N 2 2 252.362 0.920 20 0 CCADLP CON1CCC([N@@H+](C)CCc2c[nH+]cn2C)CC1 ZINC000639668666 375899232 /nfs/dbraw/zinc/89/92/32/375899232.db2.gz LRRUMRTVXSQHGL-UHFFFAOYSA-N 2 2 252.362 0.920 20 0 CCADLP C[NH+]1CCN(C(=O)CN2CC[N@H+](C)[C@@H](C(C)(C)C)C2)CC1 ZINC000639748521 375975563 /nfs/dbraw/zinc/97/55/63/375975563.db2.gz GJLCECMKYSAKFJ-CQSZACIVSA-N 2 2 296.459 0.423 20 0 CCADLP C[NH+]1CCN(C(=O)CN2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)CC1 ZINC000639748521 375975572 /nfs/dbraw/zinc/97/55/72/375975572.db2.gz GJLCECMKYSAKFJ-CQSZACIVSA-N 2 2 296.459 0.423 20 0 CCADLP CCN1OC[C@H]([N@@H+]2CCCN(c3cc[nH+]cc3)CC2)C1=O ZINC000639682886 375914564 /nfs/dbraw/zinc/91/45/64/375914564.db2.gz CMRPGFPFJZDWMI-AWEZNQCLSA-N 2 2 290.367 0.756 20 0 CCADLP CCN1OC[C@H]([N@H+]2CCCN(c3cc[nH+]cc3)CC2)C1=O ZINC000639682886 375914569 /nfs/dbraw/zinc/91/45/69/375914569.db2.gz CMRPGFPFJZDWMI-AWEZNQCLSA-N 2 2 290.367 0.756 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCn2cccn2)C1 ZINC000639765025 375992948 /nfs/dbraw/zinc/99/29/48/375992948.db2.gz YSCSUNHKRSPMBO-CYBMUJFWSA-N 2 2 252.362 0.272 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCn2cccn2)C1 ZINC000639765025 375992955 /nfs/dbraw/zinc/99/29/55/375992955.db2.gz YSCSUNHKRSPMBO-CYBMUJFWSA-N 2 2 252.362 0.272 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)C1 ZINC000639765982 375996141 /nfs/dbraw/zinc/99/61/41/375996141.db2.gz MHURZZDZXILJIO-GDBMZVCRSA-N 2 2 297.443 0.633 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)C1 ZINC000639765982 375996149 /nfs/dbraw/zinc/99/61/49/375996149.db2.gz MHURZZDZXILJIO-GDBMZVCRSA-N 2 2 297.443 0.633 20 0 CCADLP [NH3+][C@H](C(=O)NCc1cn2ccccc2[nH+]1)C1CCOCC1 ZINC000261640770 190041784 /nfs/dbraw/zinc/04/17/84/190041784.db2.gz DLKQOXZQTTYIBU-AWEZNQCLSA-N 2 2 288.351 0.704 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1c1cn[nH]c1 ZINC000639778287 376006101 /nfs/dbraw/zinc/00/61/01/376006101.db2.gz RFOKOICTSIDQQP-KGLIPLIRSA-N 2 2 282.388 0.486 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1c1cn[nH]c1 ZINC000639778287 376006107 /nfs/dbraw/zinc/00/61/07/376006107.db2.gz RFOKOICTSIDQQP-KGLIPLIRSA-N 2 2 282.388 0.486 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639778287 376006117 /nfs/dbraw/zinc/00/61/17/376006117.db2.gz RFOKOICTSIDQQP-KGLIPLIRSA-N 2 2 282.388 0.486 20 0 CCADLP Cn1cc(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)cn1 ZINC000639761529 375984439 /nfs/dbraw/zinc/98/44/39/375984439.db2.gz MVGDWQBVBTWNKP-ZDUSSCGKSA-N 2 2 252.362 0.309 20 0 CCADLP Cn1cc(C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)cn1 ZINC000639761529 375984447 /nfs/dbraw/zinc/98/44/47/375984447.db2.gz MVGDWQBVBTWNKP-ZDUSSCGKSA-N 2 2 252.362 0.309 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000639760837 375985912 /nfs/dbraw/zinc/98/59/12/375985912.db2.gz BGUKNHMKQTUNDP-GDBMZVCRSA-N 2 2 295.427 0.528 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000639760837 375985915 /nfs/dbraw/zinc/98/59/15/375985915.db2.gz BGUKNHMKQTUNDP-GDBMZVCRSA-N 2 2 295.427 0.528 20 0 CCADLP Cn1c[nH+]cc1CN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762296 375988865 /nfs/dbraw/zinc/98/88/65/375988865.db2.gz RDFAUKHCTFMOHZ-ZDUSSCGKSA-N 2 2 252.362 0.309 20 0 CCADLP C[NH2+][C@@H](C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1cnn(C)c1 ZINC000262019829 190047376 /nfs/dbraw/zinc/04/73/76/190047376.db2.gz AGQQTHUBMZEBFO-UONOGXRCSA-N 2 2 291.399 0.377 20 0 CCADLP C[NH2+][C@@H](C(=O)N1CC[N@H+]2CCCC[C@H]2C1)c1cnn(C)c1 ZINC000262019829 190047377 /nfs/dbraw/zinc/04/73/77/190047377.db2.gz AGQQTHUBMZEBFO-UONOGXRCSA-N 2 2 291.399 0.377 20 0 CCADLP O=C(N[C@H](CO)C[NH+]1CCCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000640321765 376311826 /nfs/dbraw/zinc/31/18/26/376311826.db2.gz KKMOQHDFEUXXTG-OLZOCXBDSA-N 2 2 292.383 0.018 20 0 CCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000178889857 296241837 /nfs/dbraw/zinc/24/18/37/296241837.db2.gz MAWHBIPVYYZZCF-ZFWWWQNUSA-N 2 2 288.395 0.896 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000262741687 190061896 /nfs/dbraw/zinc/06/18/96/190061896.db2.gz JCFLNPHKXPQMHP-YPMHNXCESA-N 2 2 272.352 0.991 20 0 CCADLP CC(C)[C@H](NC(=O)CN1CC[NH+](C)CC1)c1[nH]cc[nH+]1 ZINC000640723866 376511773 /nfs/dbraw/zinc/51/17/73/376511773.db2.gz QESSESYIIXLHQT-ZDUSSCGKSA-N 2 2 279.388 0.470 20 0 CCADLP CC1CC[NH+](CCNC(=O)NCc2[nH+]ccn2C)CC1 ZINC000264171229 190093962 /nfs/dbraw/zinc/09/39/62/190093962.db2.gz LVJIRNFWSGNDOO-UHFFFAOYSA-N 2 2 279.388 0.951 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000264428312 190108980 /nfs/dbraw/zinc/10/89/80/190108980.db2.gz AGXKGNMNPJYWRW-LBPRGKRZSA-N 2 2 266.345 0.110 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000264428312 190108981 /nfs/dbraw/zinc/10/89/81/190108981.db2.gz AGXKGNMNPJYWRW-LBPRGKRZSA-N 2 2 266.345 0.110 20 0 CCADLP OC[C@@H]1CCC[N@@H+]1Cc1cn(CCCn2cc[nH+]c2)nn1 ZINC000641055029 376724771 /nfs/dbraw/zinc/72/47/71/376724771.db2.gz MCLUPBHSQRWSQY-AWEZNQCLSA-N 2 2 290.371 0.522 20 0 CCADLP OC[C@@H]1CCC[N@H+]1Cc1cn(CCCn2cc[nH+]c2)nn1 ZINC000641055029 376724777 /nfs/dbraw/zinc/72/47/77/376724777.db2.gz MCLUPBHSQRWSQY-AWEZNQCLSA-N 2 2 290.371 0.522 20 0 CCADLP Cc1cccc2[nH+]c(Cn3cc(CC[NH3+])nn3)cn21 ZINC000641030094 376687777 /nfs/dbraw/zinc/68/77/77/376687777.db2.gz OEJOFMXMAYDPRQ-UHFFFAOYSA-N 2 2 256.313 0.784 20 0 CCADLP C[C@@H]1CN(S(=O)(=O)CCn2cc[nH+]c2)C[C@H](C)[N@H+]1C ZINC000641528185 377225489 /nfs/dbraw/zinc/22/54/89/377225489.db2.gz FSOCOPHFZTUGQB-TXEJJXNPSA-N 2 2 286.401 0.237 20 0 CCADLP C[C@@H]1CN(S(=O)(=O)CCn2cc[nH+]c2)C[C@H](C)[N@@H+]1C ZINC000641528185 377225497 /nfs/dbraw/zinc/22/54/97/377225497.db2.gz FSOCOPHFZTUGQB-TXEJJXNPSA-N 2 2 286.401 0.237 20 0 CCADLP OCc1cc[nH+]c(N2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000641538311 377239952 /nfs/dbraw/zinc/23/99/52/377239952.db2.gz OGVWLIWHAJCCAP-UHFFFAOYSA-N 2 2 259.313 0.624 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)NCC[NH+]1CCSCC1 ZINC000264921426 190144494 /nfs/dbraw/zinc/14/44/94/190144494.db2.gz ZLQOMQCMSNYHCL-UHFFFAOYSA-N 2 2 297.428 0.540 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1c(C)cnn1C ZINC000641770475 377453437 /nfs/dbraw/zinc/45/34/37/377453437.db2.gz SQNWSNCNYZGKGD-CYBMUJFWSA-N 2 2 268.405 0.911 20 0 CCADLP Nc1cnccc1C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000641758165 377445039 /nfs/dbraw/zinc/44/50/39/377445039.db2.gz IITZORWEWJBOBE-ZDUSSCGKSA-N 2 2 264.373 0.600 20 0 CCADLP Nc1cnccc1C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000641758165 377445046 /nfs/dbraw/zinc/44/50/46/377445046.db2.gz IITZORWEWJBOBE-ZDUSSCGKSA-N 2 2 264.373 0.600 20 0 CCADLP FC1(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000641786919 377464311 /nfs/dbraw/zinc/46/43/11/377464311.db2.gz LTGJMWMLNXDDEB-CQSZACIVSA-N 2 2 285.407 0.875 20 0 CCADLP C[C@@H](NC(=O)N1CC[N@H+](C)C(C)(C)C1)[C@H]1C[NH+](C)CCO1 ZINC000641814500 377485574 /nfs/dbraw/zinc/48/55/74/377485574.db2.gz SCZCWUICOFYQND-CHWSQXEVSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@@H](NC(=O)N1CC[N@@H+](C)C(C)(C)C1)[C@H]1C[NH+](C)CCO1 ZINC000641814500 377485579 /nfs/dbraw/zinc/48/55/79/377485579.db2.gz SCZCWUICOFYQND-CHWSQXEVSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@@H](NC(=O)N1CC[NH+](C)C(C)(C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000641814500 377485588 /nfs/dbraw/zinc/48/55/88/377485588.db2.gz SCZCWUICOFYQND-CHWSQXEVSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@@H](NC(=O)N1CC[NH+](C)C(C)(C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000641814500 377485592 /nfs/dbraw/zinc/48/55/92/377485592.db2.gz SCZCWUICOFYQND-CHWSQXEVSA-N 2 2 298.431 0.441 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000514951716 249114927 /nfs/dbraw/zinc/11/49/27/249114927.db2.gz VHDUWELMWWUGBQ-GFCCVEGCSA-N 2 2 280.372 0.379 20 0 CCADLP Cc1cc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)nc(C2CC2)[nH+]1 ZINC000515072160 249120091 /nfs/dbraw/zinc/12/00/91/249120091.db2.gz HQENDGCIEYCHCB-VXGBXAGGSA-N 2 2 287.367 0.411 20 0 CCADLP CS(=O)(=O)N1CC[C@H]([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000514608426 249093766 /nfs/dbraw/zinc/09/37/66/249093766.db2.gz BGENYKBCASRKHS-NSHDSACASA-N 2 2 294.380 0.458 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CC(=O)N3CCCC[C@@H]23)n1C ZINC000514925782 249111583 /nfs/dbraw/zinc/11/15/83/249111583.db2.gz YCCFISQJTQVUKJ-OLZOCXBDSA-N 2 2 291.399 0.729 20 0 CCADLP CN1CC[NH2+]C[C@@H]1CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000515622087 249139721 /nfs/dbraw/zinc/13/97/21/249139721.db2.gz UHYCTITVJMWJIZ-CYBMUJFWSA-N 2 2 290.415 0.782 20 0 CCADLP CN1CC[NH2+]C[C@H]1CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000515622088 249139938 /nfs/dbraw/zinc/13/99/38/249139938.db2.gz UHYCTITVJMWJIZ-ZDUSSCGKSA-N 2 2 290.415 0.782 20 0 CCADLP C[C@H]([C@H](C)NC(=O)NCC[C@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000516554172 249168833 /nfs/dbraw/zinc/16/88/33/249168833.db2.gz ADHSYSSAPGNPMN-BFHYXJOUSA-N 2 2 298.431 0.394 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCc2[nH+]ccn2C1)[NH+]1CC(C)C1 ZINC000516980576 249196453 /nfs/dbraw/zinc/19/64/53/249196453.db2.gz ZVGONPJZUOJNKZ-CHWSQXEVSA-N 2 2 276.384 0.902 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1cccc(CO)n1)C1CC1 ZINC000517029843 249199720 /nfs/dbraw/zinc/19/97/20/249199720.db2.gz DFPJUJRPSNOELQ-CQSZACIVSA-N 2 2 265.357 0.119 20 0 CCADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000517932360 249235071 /nfs/dbraw/zinc/23/50/71/249235071.db2.gz LDQUUQFHNKEAPO-CHWSQXEVSA-N 2 2 297.399 0.130 20 0 CCADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000517932360 249235075 /nfs/dbraw/zinc/23/50/75/249235075.db2.gz LDQUUQFHNKEAPO-CHWSQXEVSA-N 2 2 297.399 0.130 20 0 CCADLP C[N@@H+]1CCO[C@H](CSCCC[NH+]2CCOCC2)C1 ZINC000517934978 249235156 /nfs/dbraw/zinc/23/51/56/249235156.db2.gz HBGYQJVMVCCMHF-ZDUSSCGKSA-N 2 2 274.430 0.773 20 0 CCADLP C[N@H+]1CCO[C@H](CSCCC[NH+]2CCOCC2)C1 ZINC000517934978 249235160 /nfs/dbraw/zinc/23/51/60/249235160.db2.gz HBGYQJVMVCCMHF-ZDUSSCGKSA-N 2 2 274.430 0.773 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@H]2CCCS2)[C@H](C[NH3+])C1 ZINC000518345853 249246500 /nfs/dbraw/zinc/24/65/00/249246500.db2.gz WTFFKGWLRHPEIV-GHMZBOCLSA-N 2 2 272.418 0.166 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@H]2CCCS2)[C@H](C[NH3+])C1 ZINC000518345853 249246503 /nfs/dbraw/zinc/24/65/03/249246503.db2.gz WTFFKGWLRHPEIV-GHMZBOCLSA-N 2 2 272.418 0.166 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000517607417 249225119 /nfs/dbraw/zinc/22/51/19/249225119.db2.gz NXQOESQKTPZFTM-GWCFXTLKSA-N 2 2 262.357 0.562 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000517607417 249225123 /nfs/dbraw/zinc/22/51/23/249225123.db2.gz NXQOESQKTPZFTM-GWCFXTLKSA-N 2 2 262.357 0.562 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)CCc1nccs1 ZINC000518674161 249257264 /nfs/dbraw/zinc/25/72/64/249257264.db2.gz AAXSZAFUGXKQKQ-LBPRGKRZSA-N 2 2 287.429 0.557 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)CCc1nccs1 ZINC000518674161 249257266 /nfs/dbraw/zinc/25/72/66/249257266.db2.gz AAXSZAFUGXKQKQ-LBPRGKRZSA-N 2 2 287.429 0.557 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)CCc1nccs1 ZINC000518674161 249257268 /nfs/dbraw/zinc/25/72/68/249257268.db2.gz AAXSZAFUGXKQKQ-LBPRGKRZSA-N 2 2 287.429 0.557 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)CCc1nccs1 ZINC000518674161 249257271 /nfs/dbraw/zinc/25/72/71/249257271.db2.gz AAXSZAFUGXKQKQ-LBPRGKRZSA-N 2 2 287.429 0.557 20 0 CCADLP C[C@@H](NC(=O)N1CCn2c[nH+]cc2C1)[C@@H]1C[N@H+](C)CCO1 ZINC000642703538 377610430 /nfs/dbraw/zinc/61/04/30/377610430.db2.gz HUBZZTRJZJSZFZ-YPMHNXCESA-N 2 2 293.371 0.127 20 0 CCADLP C[C@@H](NC(=O)N1CCn2c[nH+]cc2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000642703538 377610435 /nfs/dbraw/zinc/61/04/35/377610435.db2.gz HUBZZTRJZJSZFZ-YPMHNXCESA-N 2 2 293.371 0.127 20 0 CCADLP C[C@@H]1CCN(c2cc(N3CCOCC3)nc[nH+]2)C[C@H]1C[NH3+] ZINC000643052222 377706460 /nfs/dbraw/zinc/70/64/60/377706460.db2.gz FXJQRRWOXYJVDF-CHWSQXEVSA-N 2 2 291.399 0.734 20 0 CCADLP C[C@@H]1CCN(c2cc(N3CCOCC3)[nH+]cn2)C[C@H]1C[NH3+] ZINC000643052222 377706470 /nfs/dbraw/zinc/70/64/70/377706470.db2.gz FXJQRRWOXYJVDF-CHWSQXEVSA-N 2 2 291.399 0.734 20 0 CCADLP C[C@@H]1CN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C[C@@H]1[NH3+] ZINC000643050643 377706688 /nfs/dbraw/zinc/70/66/88/377706688.db2.gz DJIXAHJZAFJQSB-UPJWGTAASA-N 2 2 291.399 0.611 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000574694315 335040490 /nfs/dbraw/zinc/04/04/90/335040490.db2.gz KREDYINFZXJSSW-KBPBESRZSA-N 3 2 296.459 0.504 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000574694315 335040491 /nfs/dbraw/zinc/04/04/91/335040491.db2.gz KREDYINFZXJSSW-KBPBESRZSA-N 3 2 296.459 0.504 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)CN2CC[NH+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000574700850 335041092 /nfs/dbraw/zinc/04/10/92/335041092.db2.gz LCCRGYMBSGROSR-ZNMIVQPWSA-N 2 2 299.459 0.483 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)CN2CC[NH+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000574700850 335041093 /nfs/dbraw/zinc/04/10/93/335041093.db2.gz LCCRGYMBSGROSR-ZNMIVQPWSA-N 2 2 299.459 0.483 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)CN2CC[N@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000574700850 335041094 /nfs/dbraw/zinc/04/10/94/335041094.db2.gz LCCRGYMBSGROSR-ZNMIVQPWSA-N 2 2 299.459 0.483 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)CN2CC[N@@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000574700850 335041096 /nfs/dbraw/zinc/04/10/96/335041096.db2.gz LCCRGYMBSGROSR-ZNMIVQPWSA-N 2 2 299.459 0.483 20 0 CCADLP CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[N@@H+]1C[C@H](C)O ZINC000266290839 190246632 /nfs/dbraw/zinc/24/66/32/190246632.db2.gz BVQTXIGTVIIJDM-UONOGXRCSA-N 2 2 294.399 0.577 20 0 CCADLP CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[N@H+]1C[C@H](C)O ZINC000266290839 190246633 /nfs/dbraw/zinc/24/66/33/190246633.db2.gz BVQTXIGTVIIJDM-UONOGXRCSA-N 2 2 294.399 0.577 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@]2(C)CCCO2)CC1 ZINC000126973164 284732626 /nfs/dbraw/zinc/73/26/26/284732626.db2.gz GTZHAZARCNDYTJ-HNNXBMFYSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@H]1OCC[C@]1(O)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000278759555 194142079 /nfs/dbraw/zinc/14/20/79/194142079.db2.gz XEJCQBIYLRFZKB-RISCZKNCSA-N 2 2 261.325 0.964 20 0 CCADLP C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000278759552 194142102 /nfs/dbraw/zinc/14/21/02/194142102.db2.gz XEJCQBIYLRFZKB-FZMZJTMJSA-N 2 2 261.325 0.964 20 0 CCADLP COC(=O)c1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)[nH]1 ZINC000278787889 194155502 /nfs/dbraw/zinc/15/55/02/194155502.db2.gz VOJYPZCQEFEVJF-PHIMTYICSA-N 2 2 263.341 0.795 20 0 CCADLP COC(=O)c1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)[nH]1 ZINC000278787889 194155504 /nfs/dbraw/zinc/15/55/04/194155504.db2.gz VOJYPZCQEFEVJF-PHIMTYICSA-N 2 2 263.341 0.795 20 0 CCADLP COC(=O)c1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)[nH]1 ZINC000278787889 194155505 /nfs/dbraw/zinc/15/55/05/194155505.db2.gz VOJYPZCQEFEVJF-PHIMTYICSA-N 2 2 263.341 0.795 20 0 CCADLP COC(=O)c1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)[nH]1 ZINC000278787889 194155507 /nfs/dbraw/zinc/15/55/07/194155507.db2.gz VOJYPZCQEFEVJF-PHIMTYICSA-N 2 2 263.341 0.795 20 0 CCADLP C=Cn1cc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cn1 ZINC000278915894 194211124 /nfs/dbraw/zinc/21/11/24/194211124.db2.gz TYPAWBIEPNPYEX-ZDUSSCGKSA-N 2 2 250.346 0.530 20 0 CCADLP Cc1cc(N[C@H](CO)C[NH+]2CCOCC2)nc(C)[nH+]1 ZINC000657208609 412930328 /nfs/dbraw/zinc/93/03/28/412930328.db2.gz AKOMWDBABSQNJY-LBPRGKRZSA-N 2 2 266.345 0.198 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000570512024 291761503 /nfs/dbraw/zinc/76/15/03/291761503.db2.gz FGPNLHVFIUCFMW-CYBMUJFWSA-N 2 2 293.415 0.452 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)N[C@H]3CC[NH2+]C3)cn2c1 ZINC000334894912 207257565 /nfs/dbraw/zinc/25/75/65/207257565.db2.gz REHLJTUFFFRPCL-NSHDSACASA-N 2 2 273.340 0.804 20 0 CCADLP COCC[N@H+](C)CCC[NH2+]Cc1cnc2n1CCC2 ZINC000657308006 412958358 /nfs/dbraw/zinc/95/83/58/412958358.db2.gz KVNJHTFWIAVKBC-UHFFFAOYSA-N 2 2 266.389 0.887 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+]Cc1cnc2n1CCC2 ZINC000657308006 412958362 /nfs/dbraw/zinc/95/83/62/412958362.db2.gz KVNJHTFWIAVKBC-UHFFFAOYSA-N 2 2 266.389 0.887 20 0 CCADLP COCC[N@H+](C)CCCNCc1c[nH+]c2n1CCC2 ZINC000657308006 412958365 /nfs/dbraw/zinc/95/83/65/412958365.db2.gz KVNJHTFWIAVKBC-UHFFFAOYSA-N 2 2 266.389 0.887 20 0 CCADLP COCC[N@@H+](C)CCCNCc1c[nH+]c2n1CCC2 ZINC000657308006 412958370 /nfs/dbraw/zinc/95/83/70/412958370.db2.gz KVNJHTFWIAVKBC-UHFFFAOYSA-N 2 2 266.389 0.887 20 0 CCADLP C[NH2+][C@@H]1CCN(C(=O)[C@H]([NH3+])c2c(F)cccc2F)C1 ZINC000334950951 207344592 /nfs/dbraw/zinc/34/45/92/207344592.db2.gz ORMKBIDLJDDUPV-PRHODGIISA-N 2 2 269.295 0.785 20 0 CCADLP COCC[N@H+](C)CCNCc1c[nH+]c2n1CCC2 ZINC000657343139 412964398 /nfs/dbraw/zinc/96/43/98/412964398.db2.gz JJDJZJFXOIMXJX-UHFFFAOYSA-N 2 2 252.362 0.497 20 0 CCADLP COCC[N@@H+](C)CCNCc1c[nH+]c2n1CCC2 ZINC000657343139 412964404 /nfs/dbraw/zinc/96/44/04/412964404.db2.gz JJDJZJFXOIMXJX-UHFFFAOYSA-N 2 2 252.362 0.497 20 0 CCADLP Nc1ccc(NC(=O)COC2CCC([NH3+])CC2)c[nH+]1 ZINC000571403722 291812064 /nfs/dbraw/zinc/81/20/64/291812064.db2.gz NJLCDCLIHPYWSH-UHFFFAOYSA-N 2 2 264.329 0.719 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657360364 412968022 /nfs/dbraw/zinc/96/80/22/412968022.db2.gz DVLUVLJZEQSPGC-JTQLQIEISA-N 2 2 271.386 0.742 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CCOCC2CC2)C1 ZINC000362842617 296339738 /nfs/dbraw/zinc/33/97/38/296339738.db2.gz ZWTVKQFGERHCJB-AWEZNQCLSA-N 2 2 281.400 0.309 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CCOCC2CC2)C1 ZINC000362842617 296339741 /nfs/dbraw/zinc/33/97/41/296339741.db2.gz ZWTVKQFGERHCJB-AWEZNQCLSA-N 2 2 281.400 0.309 20 0 CCADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000571636845 291827553 /nfs/dbraw/zinc/82/75/53/291827553.db2.gz RMGUYWXUHHAUFI-NWDGAFQWSA-N 2 2 274.324 0.327 20 0 CCADLP O=S1(=O)CCC[C@@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1 ZINC000376150742 285058154 /nfs/dbraw/zinc/05/81/54/285058154.db2.gz MJDWMRDUYUARQH-CYBMUJFWSA-N 2 2 297.424 0.929 20 0 CCADLP COCC[NH2+]CCNC(=O)NCc1c[nH+]c(C)cc1C ZINC000418270246 533022814 /nfs/dbraw/zinc/02/28/14/533022814.db2.gz UJQVSZZQOXNVTL-UHFFFAOYSA-N 2 2 280.372 0.734 20 0 CCADLP CC[NH2+]CCCNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000571896144 291844905 /nfs/dbraw/zinc/84/49/05/291844905.db2.gz YQWCCDZATIBUQT-QWHCGFSZSA-N 2 2 286.420 0.394 20 0 CCADLP C[C@H](C[NH2+]Cc1cnn2c1CCC2)C[NH+]1CCOCC1 ZINC000657371057 412975552 /nfs/dbraw/zinc/97/55/52/412975552.db2.gz SMRZABCBKYFIST-CYBMUJFWSA-N 2 2 278.400 0.887 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1C)[NH+]1CCSCC1 ZINC000335347318 208244733 /nfs/dbraw/zinc/24/47/33/208244733.db2.gz GUNXPUCUOLROFF-NEPJUHHUSA-N 2 2 271.430 0.586 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1C)[NH+]1CCSCC1 ZINC000335347318 208244736 /nfs/dbraw/zinc/24/47/36/208244736.db2.gz GUNXPUCUOLROFF-NEPJUHHUSA-N 2 2 271.430 0.586 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCn2c[nH+]cc2C1 ZINC000335368237 208291955 /nfs/dbraw/zinc/29/19/55/208291955.db2.gz UGUCHWLSJZTOAU-VHSXEESVSA-N 2 2 251.334 0.534 20 0 CCADLP COc1ccnc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)n1 ZINC000424385156 533057153 /nfs/dbraw/zinc/05/71/53/533057153.db2.gz WAMCOGBHTZAXFZ-MNOVXSKESA-N 2 2 250.346 0.963 20 0 CCADLP CO[C@@H]1COC[C@@H]1[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000657407833 412985054 /nfs/dbraw/zinc/98/50/54/412985054.db2.gz HWEDTSKEARQXGN-HRCADAONSA-N 2 2 294.395 0.483 20 0 CCADLP CO[C@@H]1COC[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000657407833 412985057 /nfs/dbraw/zinc/98/50/57/412985057.db2.gz HWEDTSKEARQXGN-HRCADAONSA-N 2 2 294.395 0.483 20 0 CCADLP Cn1nc(C(F)(F)F)cc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000657434745 412987050 /nfs/dbraw/zinc/98/70/50/412987050.db2.gz IFWATAMOAWCVGG-NSHDSACASA-N 2 2 292.305 0.595 20 0 CCADLP Cn1nc(C(F)(F)F)cc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000657434743 412986836 /nfs/dbraw/zinc/98/68/36/412986836.db2.gz IFWATAMOAWCVGG-LLVKDONJSA-N 2 2 292.305 0.595 20 0 CCADLP Cn1nc(C(F)(F)F)cc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000657434743 412986841 /nfs/dbraw/zinc/98/68/41/412986841.db2.gz IFWATAMOAWCVGG-LLVKDONJSA-N 2 2 292.305 0.595 20 0 CCADLP Cn1nc(C(F)(F)F)cc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000657434745 412987057 /nfs/dbraw/zinc/98/70/57/412987057.db2.gz IFWATAMOAWCVGG-NSHDSACASA-N 2 2 292.305 0.595 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]Cc1cnn2c1CCC2 ZINC000657439027 412994184 /nfs/dbraw/zinc/99/41/84/412994184.db2.gz ZHEJRWXNRNHYDZ-UHFFFAOYSA-N 2 2 252.362 0.233 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]Cc1cnn2c1CCC2 ZINC000657439027 412994187 /nfs/dbraw/zinc/99/41/87/412994187.db2.gz ZHEJRWXNRNHYDZ-UHFFFAOYSA-N 2 2 252.362 0.233 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](OC)C2)CC1 ZINC000251509651 285146410 /nfs/dbraw/zinc/14/64/10/285146410.db2.gz CBFKVFNTHQIMGM-KKUMJFAQSA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@@H](OC)C2)CC1 ZINC000251509651 285146414 /nfs/dbraw/zinc/14/64/14/285146414.db2.gz CBFKVFNTHQIMGM-KKUMJFAQSA-N 2 2 297.443 0.896 20 0 CCADLP c1cc2c(cc1C[NH2+]C[C@H]1C[NH2+]CCO1)OCCO2 ZINC000258953800 285153734 /nfs/dbraw/zinc/15/37/34/285153734.db2.gz RBBAAFMPCCMDQK-GFCCVEGCSA-N 2 2 264.325 0.536 20 0 CCADLP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)CO1 ZINC000657480763 413002669 /nfs/dbraw/zinc/00/26/69/413002669.db2.gz VPMCVPOVHKOSGK-BFHYXJOUSA-N 2 2 256.390 0.990 20 0 CCADLP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)CO1 ZINC000657480763 413002676 /nfs/dbraw/zinc/00/26/76/413002676.db2.gz VPMCVPOVHKOSGK-BFHYXJOUSA-N 2 2 256.390 0.990 20 0 CCADLP OC[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)[C@@H]1CCCOC1 ZINC000657497103 413010422 /nfs/dbraw/zinc/01/04/22/413010422.db2.gz ULCFMGSWTQECLH-DGCLKSJQSA-N 2 2 265.357 0.706 20 0 CCADLP C[C@@H]1C[N@H+](CCO)CCN1CCCc1c[nH+]cn1C ZINC000520834535 285276223 /nfs/dbraw/zinc/27/62/23/285276223.db2.gz FXMJBJTVULCWRW-CYBMUJFWSA-N 2 2 266.389 0.351 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)CCN1CCCc1c[nH+]cn1C ZINC000520834535 285276225 /nfs/dbraw/zinc/27/62/25/285276225.db2.gz FXMJBJTVULCWRW-CYBMUJFWSA-N 2 2 266.389 0.351 20 0 CCADLP C[C@@H]1CN(CCO)CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000520834535 285276226 /nfs/dbraw/zinc/27/62/26/285276226.db2.gz FXMJBJTVULCWRW-CYBMUJFWSA-N 2 2 266.389 0.351 20 0 CCADLP C[C@@H]1CN(CCO)CC[N@H+]1CCCc1c[nH+]cn1C ZINC000520834535 285276228 /nfs/dbraw/zinc/27/62/28/285276228.db2.gz FXMJBJTVULCWRW-CYBMUJFWSA-N 2 2 266.389 0.351 20 0 CCADLP CN(C)[C@H](C(=O)N1CC[N@H+](C)C(C)(C)C1)c1c[nH+]cn1C ZINC000521458384 285279766 /nfs/dbraw/zinc/27/97/66/285279766.db2.gz HEGVYFBCGPVVKK-ZDUSSCGKSA-N 2 2 293.415 0.575 20 0 CCADLP CN(C)[C@H](C(=O)N1CC[N@@H+](C)C(C)(C)C1)c1c[nH+]cn1C ZINC000521458384 285279767 /nfs/dbraw/zinc/27/97/67/285279767.db2.gz HEGVYFBCGPVVKK-ZDUSSCGKSA-N 2 2 293.415 0.575 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCN1CCCC1=O ZINC000521885054 285294965 /nfs/dbraw/zinc/29/49/65/285294965.db2.gz LUDJLKJERNQLNM-DGCLKSJQSA-N 2 2 251.374 0.681 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCN1CCCC1=O ZINC000521885054 285294969 /nfs/dbraw/zinc/29/49/69/285294969.db2.gz LUDJLKJERNQLNM-DGCLKSJQSA-N 2 2 251.374 0.681 20 0 CCADLP OCCO[C@@]1(C[NH2+]Cc2c[nH+]c3n2CCC3)CCOC1 ZINC000657598899 413030425 /nfs/dbraw/zinc/03/04/25/413030425.db2.gz TYWAKDWDRKXMGZ-CQSZACIVSA-N 2 2 281.356 0.087 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C[NH2+]C)C2)CC1 ZINC000430606182 285298198 /nfs/dbraw/zinc/29/81/98/285298198.db2.gz UVIPULQEVKDXAX-CABCVRRESA-N 3 2 296.459 0.470 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](C[NH2+]C)C2)CC1 ZINC000430606182 285298199 /nfs/dbraw/zinc/29/81/99/285298199.db2.gz UVIPULQEVKDXAX-CABCVRRESA-N 3 2 296.459 0.470 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCO[C@]2(CCOC2)C1 ZINC000185201732 388792454 /nfs/dbraw/zinc/79/24/54/388792454.db2.gz DVESLBSKTDWVFH-UONOGXRCSA-N 2 2 254.374 0.962 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCO[C@]2(CCOC2)C1 ZINC000185201732 388792459 /nfs/dbraw/zinc/79/24/59/388792459.db2.gz DVESLBSKTDWVFH-UONOGXRCSA-N 2 2 254.374 0.962 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185201732 388792462 /nfs/dbraw/zinc/79/24/62/388792462.db2.gz DVESLBSKTDWVFH-UONOGXRCSA-N 2 2 254.374 0.962 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185201732 388792465 /nfs/dbraw/zinc/79/24/65/388792465.db2.gz DVESLBSKTDWVFH-UONOGXRCSA-N 2 2 254.374 0.962 20 0 CCADLP C[NH2+]CCC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000285854488 388805494 /nfs/dbraw/zinc/80/54/94/388805494.db2.gz YBPZFSBMYZERRG-UHFFFAOYSA-N 2 2 277.368 0.646 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000526003687 285326761 /nfs/dbraw/zinc/32/67/61/285326761.db2.gz MHHYOAMDFKTKOR-LBPRGKRZSA-N 2 2 264.373 0.811 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000526003687 285326763 /nfs/dbraw/zinc/32/67/63/285326763.db2.gz MHHYOAMDFKTKOR-LBPRGKRZSA-N 2 2 264.373 0.811 20 0 CCADLP CC[N@H+](CCO)CC[NH2+][C@@H](C)CCn1cccn1 ZINC000186579087 388842157 /nfs/dbraw/zinc/84/21/57/388842157.db2.gz XRSANFHHVOLIIY-ZDUSSCGKSA-N 2 2 254.378 0.566 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+][C@@H](C)CCn1cccn1 ZINC000186579087 388842162 /nfs/dbraw/zinc/84/21/62/388842162.db2.gz XRSANFHHVOLIIY-ZDUSSCGKSA-N 2 2 254.378 0.566 20 0 CCADLP [NH3+]CCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000040832852 388856620 /nfs/dbraw/zinc/85/66/20/388856620.db2.gz NFVLRJQPHLQTCJ-UHFFFAOYSA-N 2 2 277.368 0.484 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCN(c2ncccn2)CC1 ZINC000289352205 388868749 /nfs/dbraw/zinc/86/87/49/388868749.db2.gz NCQZUSCYQOFUEE-UHFFFAOYSA-N 2 2 272.356 0.575 20 0 CCADLP CCC[N@@H+]1CC[C@H](CNC(=O)NCCn2cc[nH+]c2)C1 ZINC000048920997 388910426 /nfs/dbraw/zinc/91/04/26/388910426.db2.gz DRIUKYMMZSUTBV-CYBMUJFWSA-N 2 2 279.388 0.914 20 0 CCADLP CCC[N@H+]1CC[C@H](CNC(=O)NCCn2cc[nH+]c2)C1 ZINC000048920997 388910430 /nfs/dbraw/zinc/91/04/30/388910430.db2.gz DRIUKYMMZSUTBV-CYBMUJFWSA-N 2 2 279.388 0.914 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)c2coc(C[NH3+])c2)C[C@H]1C ZINC000188188019 388917147 /nfs/dbraw/zinc/91/71/47/388917147.db2.gz DHLNJXVDLZQXNP-LLVKDONJSA-N 2 2 281.356 0.531 20 0 CCADLP COCC[N@H+]1CCN(C(=O)c2coc(C[NH3+])c2)C[C@H]1C ZINC000188188019 388917148 /nfs/dbraw/zinc/91/71/48/388917148.db2.gz DHLNJXVDLZQXNP-LLVKDONJSA-N 2 2 281.356 0.531 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@H]1C[C@H](F)C[NH2+]1)[NH+]1CCOCC1 ZINC000188707674 388938485 /nfs/dbraw/zinc/93/84/85/388938485.db2.gz MYRKCKNRNJKQOB-YNEHKIRRSA-N 2 2 287.379 0.159 20 0 CCADLP C[C@H](CS(C)(=O)=O)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000081901164 389001264 /nfs/dbraw/zinc/00/12/64/389001264.db2.gz SJEQHDLDUQYNLD-NWDGAFQWSA-N 2 2 262.419 0.741 20 0 CCADLP CC[N@H+](CCO)CC[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@@H]1C ZINC000354639782 389029740 /nfs/dbraw/zinc/02/97/40/389029740.db2.gz UASOFMNYARTBMB-BFHYXJOUSA-N 2 2 286.416 0.868 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@@H]1C ZINC000354639782 389029746 /nfs/dbraw/zinc/02/97/46/389029746.db2.gz UASOFMNYARTBMB-BFHYXJOUSA-N 2 2 286.416 0.868 20 0 CCADLP CCNC(=O)C[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000298552758 389029827 /nfs/dbraw/zinc/02/98/27/389029827.db2.gz OHOGKNRGHLBXKF-GFCCVEGCSA-N 2 2 292.383 0.737 20 0 CCADLP CCNC(=O)C[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000298552758 389029834 /nfs/dbraw/zinc/02/98/34/389029834.db2.gz OHOGKNRGHLBXKF-GFCCVEGCSA-N 2 2 292.383 0.737 20 0 CCADLP C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)nc1)[NH+](C)C ZINC000298396449 389015840 /nfs/dbraw/zinc/01/58/40/389015840.db2.gz FNHAXKKHKYEXFN-LLVKDONJSA-N 2 2 273.340 0.947 20 0 CCADLP C[C@H]1C[N@@H+](C2CC[NH+]([C@@H]3CCOC3)CC2)CCO1 ZINC000336735975 389017465 /nfs/dbraw/zinc/01/74/65/389017465.db2.gz XXJJOSPKCKBFJK-GXTWGEPZSA-N 2 2 254.374 0.960 20 0 CCADLP C[C@H]1C[N@H+](C2CC[NH+]([C@@H]3CCOC3)CC2)CCO1 ZINC000336735975 389017470 /nfs/dbraw/zinc/01/74/70/389017470.db2.gz XXJJOSPKCKBFJK-GXTWGEPZSA-N 2 2 254.374 0.960 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)CC1 ZINC000355379134 389068756 /nfs/dbraw/zinc/06/87/56/389068756.db2.gz FXUFQLHLRMFZHK-MRVWCRGKSA-N 2 2 281.400 0.164 20 0 CCADLP C[NH+](C)C1CC[NH+](C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000193811919 389080202 /nfs/dbraw/zinc/08/02/02/389080202.db2.gz CWNQMQOWTOTSOX-CABCVRRESA-N 2 2 286.416 0.569 20 0 CCADLP CN(C)c1nc(N2CC[NH+](CCCCO)CC2)cc[nH+]1 ZINC000304250254 389081782 /nfs/dbraw/zinc/08/17/82/389081782.db2.gz BMPCZXHOVZMIHS-UHFFFAOYSA-N 2 2 279.388 0.437 20 0 CCADLP C[C@@H](CNC(=O)N1CC[N@H+](C)CC[C@@H]1C)[NH+]1CCOCC1 ZINC000355479926 389082658 /nfs/dbraw/zinc/08/26/58/389082658.db2.gz KQTOTMGZGSOAFU-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H](CNC(=O)N1CC[N@@H+](C)CC[C@@H]1C)[NH+]1CCOCC1 ZINC000355479926 389082662 /nfs/dbraw/zinc/08/26/62/389082662.db2.gz KQTOTMGZGSOAFU-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000355483794 389083504 /nfs/dbraw/zinc/08/35/04/389083504.db2.gz TZYLNSSSBXXQFI-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338179640 389085504 /nfs/dbraw/zinc/08/55/04/389085504.db2.gz WISJCBHGEFSYFM-AWEZNQCLSA-N 2 2 297.443 0.897 20 0 CCADLP CCC[C@H]([NH2+]C(C)C)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000354932962 389034171 /nfs/dbraw/zinc/03/41/71/389034171.db2.gz YFSLSIYLBINYHR-MJBXVCDLSA-N 2 2 283.416 0.695 20 0 CCADLP CCC[C@H]([NH2+]C(C)C)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000354932962 389034172 /nfs/dbraw/zinc/03/41/72/389034172.db2.gz YFSLSIYLBINYHR-MJBXVCDLSA-N 2 2 283.416 0.695 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[NH+](C)CC1 ZINC000298669076 389038719 /nfs/dbraw/zinc/03/87/19/389038719.db2.gz IIQNZFFLHHGFIH-LLVKDONJSA-N 2 2 251.334 0.229 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCOCC2(C)C)CC1 ZINC000338236927 389095523 /nfs/dbraw/zinc/09/55/23/389095523.db2.gz PDAZILDRRFKKEO-UHFFFAOYSA-N 2 2 269.389 0.261 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCOCC2(C)C)CC1 ZINC000338236927 389095526 /nfs/dbraw/zinc/09/55/26/389095526.db2.gz PDAZILDRRFKKEO-UHFFFAOYSA-N 2 2 269.389 0.261 20 0 CCADLP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577251 389096889 /nfs/dbraw/zinc/09/68/89/389096889.db2.gz BIZWBJZPMGJTAT-QNWHQSFQSA-N 2 2 253.390 0.831 20 0 CCADLP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577251 389096891 /nfs/dbraw/zinc/09/68/91/389096891.db2.gz BIZWBJZPMGJTAT-QNWHQSFQSA-N 2 2 253.390 0.831 20 0 CCADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577467 389097364 /nfs/dbraw/zinc/09/73/64/389097364.db2.gz IGOVYZXOOCNMGB-MQYQWHSLSA-N 2 2 265.401 0.833 20 0 CCADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577467 389097367 /nfs/dbraw/zinc/09/73/67/389097367.db2.gz IGOVYZXOOCNMGB-MQYQWHSLSA-N 2 2 265.401 0.833 20 0 CCADLP CC(C)(C(=O)NCC[N@H+]1CC=CCC1)[NH+]1CCOCC1 ZINC000338278141 389104319 /nfs/dbraw/zinc/10/43/19/389104319.db2.gz VQGIQEJKTSJGPW-UHFFFAOYSA-N 2 2 281.400 0.475 20 0 CCADLP CC(C)(C(=O)NCC[N@@H+]1CC=CCC1)[NH+]1CCOCC1 ZINC000338278141 389104322 /nfs/dbraw/zinc/10/43/22/389104322.db2.gz VQGIQEJKTSJGPW-UHFFFAOYSA-N 2 2 281.400 0.475 20 0 CCADLP CCC(C)(C)NC(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313338301 389112265 /nfs/dbraw/zinc/11/22/65/389112265.db2.gz BCSJONIBSAEGSH-LLVKDONJSA-N 2 2 257.378 0.341 20 0 CCADLP CCC(C)(C)NC(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313338301 389112268 /nfs/dbraw/zinc/11/22/68/389112268.db2.gz BCSJONIBSAEGSH-LLVKDONJSA-N 2 2 257.378 0.341 20 0 CCADLP CCOC[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000313307847 389112732 /nfs/dbraw/zinc/11/27/32/389112732.db2.gz ZSDBMDJBNCFKBV-HUUCEWRRSA-N 2 2 288.432 0.817 20 0 CCADLP CCOC[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000313307847 389112734 /nfs/dbraw/zinc/11/27/34/389112734.db2.gz ZSDBMDJBNCFKBV-HUUCEWRRSA-N 2 2 288.432 0.817 20 0 CCADLP CCOC[C@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)CCOC ZINC000313307847 389112735 /nfs/dbraw/zinc/11/27/35/389112735.db2.gz ZSDBMDJBNCFKBV-HUUCEWRRSA-N 2 2 288.432 0.817 20 0 CCADLP CCOC[C@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)CCOC ZINC000313307847 389112737 /nfs/dbraw/zinc/11/27/37/389112737.db2.gz ZSDBMDJBNCFKBV-HUUCEWRRSA-N 2 2 288.432 0.817 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000195128329 389116515 /nfs/dbraw/zinc/11/65/15/389116515.db2.gz MKGDRQBZVQBGAN-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000195128329 389116517 /nfs/dbraw/zinc/11/65/17/389116517.db2.gz MKGDRQBZVQBGAN-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP C[N@@H+]1CCN(C(=O)C2CCC(F)(F)CC2)[C@@H](C[NH3+])C1 ZINC000216489342 389133820 /nfs/dbraw/zinc/13/38/20/389133820.db2.gz CKABRRLNRCJZKJ-NSHDSACASA-N 2 2 275.343 0.913 20 0 CCADLP C[N@H+]1CCN(C(=O)C2CCC(F)(F)CC2)[C@@H](C[NH3+])C1 ZINC000216489342 389133822 /nfs/dbraw/zinc/13/38/22/389133822.db2.gz CKABRRLNRCJZKJ-NSHDSACASA-N 2 2 275.343 0.913 20 0 CCADLP C[C@H](C1CCC1)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000357610363 389136512 /nfs/dbraw/zinc/13/65/12/389136512.db2.gz LKZCHENBVTUULA-GFCCVEGCSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@H](C1CCC1)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000357610363 389136515 /nfs/dbraw/zinc/13/65/15/389136515.db2.gz LKZCHENBVTUULA-GFCCVEGCSA-N 2 2 253.390 0.881 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000339922798 389141128 /nfs/dbraw/zinc/14/11/28/389141128.db2.gz GGMQCTOFPKPZJR-UHFFFAOYSA-N 2 2 255.281 0.998 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC000341284361 389187012 /nfs/dbraw/zinc/18/70/12/389187012.db2.gz JFHDSAYWBLMXOL-DGAVXFQQSA-N 2 2 283.416 0.552 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC000341284361 389187015 /nfs/dbraw/zinc/18/70/15/389187015.db2.gz JFHDSAYWBLMXOL-DGAVXFQQSA-N 2 2 283.416 0.552 20 0 CCADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)c1csc(C[NH3+])n1 ZINC000237450215 389188974 /nfs/dbraw/zinc/18/89/74/389188974.db2.gz OORYHXHIWLFDTR-SNVBAGLBSA-N 2 2 298.412 0.442 20 0 CCADLP C[C@@H](CNC(=O)C1(C[NH3+])CCCC1)[NH+]1CCOCC1 ZINC000237522277 389190341 /nfs/dbraw/zinc/19/03/41/389190341.db2.gz SKDDYHKNDCSWKE-LBPRGKRZSA-N 2 2 269.389 0.342 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000359030348 389165444 /nfs/dbraw/zinc/16/54/44/389165444.db2.gz NDCKIEQLYQVDFC-GRYCIOLGSA-N 2 2 274.430 0.882 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000359030348 389165446 /nfs/dbraw/zinc/16/54/46/389165446.db2.gz NDCKIEQLYQVDFC-GRYCIOLGSA-N 2 2 274.430 0.882 20 0 CCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000235456080 389166020 /nfs/dbraw/zinc/16/60/20/389166020.db2.gz FVHMFPMSUZDVRW-IUODEOHRSA-N 2 2 273.380 0.863 20 0 CCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000235456080 389166023 /nfs/dbraw/zinc/16/60/23/389166023.db2.gz FVHMFPMSUZDVRW-IUODEOHRSA-N 2 2 273.380 0.863 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000130407184 389205068 /nfs/dbraw/zinc/20/50/68/389205068.db2.gz LFODLIHKMIZSCL-ZDUSSCGKSA-N 2 2 282.388 0.746 20 0 CCADLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cn1cc[nH+]c1 ZINC000329620831 389178241 /nfs/dbraw/zinc/17/82/41/389178241.db2.gz MUJPABKJSRPYFX-ZDUSSCGKSA-N 2 2 292.383 0.595 20 0 CCADLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Cn1cc[nH+]c1 ZINC000329620831 389178243 /nfs/dbraw/zinc/17/82/43/389178243.db2.gz MUJPABKJSRPYFX-ZDUSSCGKSA-N 2 2 292.383 0.595 20 0 CCADLP CC1(C)CC[C@H]1[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000342722035 389248482 /nfs/dbraw/zinc/24/84/82/389248482.db2.gz DKNOXPZFVMYRRY-UONOGXRCSA-N 2 2 295.427 0.698 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000342721261 389248686 /nfs/dbraw/zinc/24/86/86/389248686.db2.gz YWGADNKKMCKXLC-MNOVXSKESA-N 2 2 291.342 0.068 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000342721261 389248688 /nfs/dbraw/zinc/24/86/88/389248688.db2.gz YWGADNKKMCKXLC-MNOVXSKESA-N 2 2 291.342 0.068 20 0 CCADLP CCC(CC)[C@@H](C(=O)N1CC([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000134939532 389250750 /nfs/dbraw/zinc/25/07/50/389250750.db2.gz XKFRTMXANUYQDB-HNNXBMFYSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CC[NH2+]CC2(F)F)C[C@H](C)[NH2+]1 ZINC000342756127 389251945 /nfs/dbraw/zinc/25/19/45/389251945.db2.gz USVRDJAQPULOPO-KXUCPTDWSA-N 2 2 261.316 0.440 20 0 CCADLP CC1(C)CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[NH2+]1 ZINC000364284987 389258323 /nfs/dbraw/zinc/25/83/23/389258323.db2.gz UCMCIWNEAOKMNA-LLVKDONJSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc[nH+]c(N(C)C)n1 ZINC000343246174 389261396 /nfs/dbraw/zinc/26/13/96/389261396.db2.gz DEBOJFKIJYQYMQ-CHWSQXEVSA-N 2 2 291.399 0.842 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC2CC2)[C@@H](C)C1 ZINC000245415918 389207646 /nfs/dbraw/zinc/20/76/46/389207646.db2.gz DTOBYNHETAFRKY-WCQYABFASA-N 2 2 253.390 0.927 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC2CC2)[C@@H](C)C1 ZINC000245415918 389207649 /nfs/dbraw/zinc/20/76/49/389207649.db2.gz DTOBYNHETAFRKY-WCQYABFASA-N 2 2 253.390 0.927 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC2CC2)[C@@H](C)C1 ZINC000245415918 389207651 /nfs/dbraw/zinc/20/76/51/389207651.db2.gz DTOBYNHETAFRKY-WCQYABFASA-N 2 2 253.390 0.927 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC2CC2)[C@@H](C)C1 ZINC000245415918 389207654 /nfs/dbraw/zinc/20/76/54/389207654.db2.gz DTOBYNHETAFRKY-WCQYABFASA-N 2 2 253.390 0.927 20 0 CCADLP CC(C)N1CCC[C@H]([N@H+](C)C2CC[NH+](CCO)CC2)C1=O ZINC000361399808 389214950 /nfs/dbraw/zinc/21/49/50/389214950.db2.gz JGPNJUPCGJIOMG-HNNXBMFYSA-N 2 2 297.443 0.774 20 0 CCADLP CC(C)N1CCC[C@H]([N@@H+](C)C2CC[NH+](CCO)CC2)C1=O ZINC000361399808 389214951 /nfs/dbraw/zinc/21/49/51/389214951.db2.gz JGPNJUPCGJIOMG-HNNXBMFYSA-N 2 2 297.443 0.774 20 0 CCADLP COC(=O)C[C@@H]1CSCC[N@@H+]1CCn1cc[nH+]c1 ZINC000131733256 389217141 /nfs/dbraw/zinc/21/71/41/389217141.db2.gz CNFHIEQUEDBRAG-LLVKDONJSA-N 2 2 269.370 0.864 20 0 CCADLP COC(=O)C[C@@H]1CSCC[N@H+]1CCn1cc[nH+]c1 ZINC000131733256 389217143 /nfs/dbraw/zinc/21/71/43/389217143.db2.gz CNFHIEQUEDBRAG-LLVKDONJSA-N 2 2 269.370 0.864 20 0 CCADLP CCOC(=O)N1CCC([NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)CC1 ZINC000133402390 389234897 /nfs/dbraw/zinc/23/48/97/389234897.db2.gz FZUJIMRNVXFPIN-TZMCWYRMSA-N 2 2 299.415 0.964 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+](C)C[C@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000247056260 389236118 /nfs/dbraw/zinc/23/61/18/389236118.db2.gz SFJQODVNNAVJGU-ZNMIVQPWSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000247056260 389236120 /nfs/dbraw/zinc/23/61/20/389236120.db2.gz SFJQODVNNAVJGU-ZNMIVQPWSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)C[C@H](C)O1 ZINC000247056260 389236124 /nfs/dbraw/zinc/23/61/24/389236124.db2.gz SFJQODVNNAVJGU-ZNMIVQPWSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000247056260 389236126 /nfs/dbraw/zinc/23/61/26/389236126.db2.gz SFJQODVNNAVJGU-ZNMIVQPWSA-N 2 2 297.443 0.896 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H](C)CC(N)=O)C1 ZINC000346778698 389337348 /nfs/dbraw/zinc/33/73/48/389337348.db2.gz UXKPOUXZGDLFTH-NEPJUHHUSA-N 2 2 257.378 0.197 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H](C)CC(N)=O)C1 ZINC000346778698 389337352 /nfs/dbraw/zinc/33/73/52/389337352.db2.gz UXKPOUXZGDLFTH-NEPJUHHUSA-N 2 2 257.378 0.197 20 0 CCADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[N@H+](C)C[C@H]2C)C1(C)C ZINC000261640031 389273820 /nfs/dbraw/zinc/27/38/20/389273820.db2.gz JHUWYDNIOBNYMS-JMSVASOKSA-N 2 2 283.416 0.681 20 0 CCADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[N@@H+](C)C[C@H]2C)C1(C)C ZINC000261640031 389273823 /nfs/dbraw/zinc/27/38/23/389273823.db2.gz JHUWYDNIOBNYMS-JMSVASOKSA-N 2 2 283.416 0.681 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1CC[NH+](CCO)CC1 ZINC000344223083 389279711 /nfs/dbraw/zinc/27/97/11/389279711.db2.gz ZBAUASTXOLMNLZ-GXTWGEPZSA-N 3 2 255.406 0.230 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1CC[NH+](CCO)CC1 ZINC000344223083 389279713 /nfs/dbraw/zinc/27/97/13/389279713.db2.gz ZBAUASTXOLMNLZ-GXTWGEPZSA-N 3 2 255.406 0.230 20 0 CCADLP C[C@@H]1C[N@H+](C)CCN1c1ncnc2c1C[NH+](C)CC2 ZINC000344429951 389281277 /nfs/dbraw/zinc/28/12/77/389281277.db2.gz LFTSUOTVYHLKMB-LLVKDONJSA-N 2 2 261.373 0.605 20 0 CCADLP C[C@@H]1C[N@@H+](C)CCN1c1ncnc2c1C[NH+](C)CC2 ZINC000344429951 389281280 /nfs/dbraw/zinc/28/12/80/389281280.db2.gz LFTSUOTVYHLKMB-LLVKDONJSA-N 2 2 261.373 0.605 20 0 CCADLP C[C@@H]1C[NH+](C)CCN1c1ncnc2c1C[N@H+](C)CC2 ZINC000344429951 389281282 /nfs/dbraw/zinc/28/12/82/389281282.db2.gz LFTSUOTVYHLKMB-LLVKDONJSA-N 2 2 261.373 0.605 20 0 CCADLP C[C@@H]1C[NH+](C)CCN1c1ncnc2c1C[N@@H+](C)CC2 ZINC000344429951 389281283 /nfs/dbraw/zinc/28/12/83/389281283.db2.gz LFTSUOTVYHLKMB-LLVKDONJSA-N 2 2 261.373 0.605 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)[C@@H](C)C1 ZINC000344550584 389282664 /nfs/dbraw/zinc/28/26/64/389282664.db2.gz KBYVFSVJMDDERG-STQMWFEESA-N 3 2 255.406 0.373 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)[C@@H](C)C1 ZINC000344550584 389282667 /nfs/dbraw/zinc/28/26/67/389282667.db2.gz KBYVFSVJMDDERG-STQMWFEESA-N 3 2 255.406 0.373 20 0 CCADLP C[C@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000345263512 389295309 /nfs/dbraw/zinc/29/53/09/389295309.db2.gz PQPCUGBPENLHMO-STQMWFEESA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CCC[N@@H+]1C ZINC000345294187 389299641 /nfs/dbraw/zinc/29/96/41/389299641.db2.gz BMGCCHADYHEWOL-PWSUYJOCSA-N 2 2 280.372 0.949 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CCC[N@H+]1C ZINC000345294187 389299645 /nfs/dbraw/zinc/29/96/45/389299645.db2.gz BMGCCHADYHEWOL-PWSUYJOCSA-N 2 2 280.372 0.949 20 0 CCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)CCn1cc[nH+]c1 ZINC000421705433 389371062 /nfs/dbraw/zinc/37/10/62/389371062.db2.gz RJCDTXWBHSODEE-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)CCn1cc[nH+]c1 ZINC000421705433 389371066 /nfs/dbraw/zinc/37/10/66/389371066.db2.gz RJCDTXWBHSODEE-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP Cc1cc(CNC(=O)[C@@H]2C[N@H+](C)CCO2)cc(C)[nH+]1 ZINC000421922159 389382947 /nfs/dbraw/zinc/38/29/47/389382947.db2.gz QCCWREZIAUGWFY-ZDUSSCGKSA-N 2 2 263.341 0.645 20 0 CCADLP Cc1cc(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)cc(C)[nH+]1 ZINC000421922159 389382948 /nfs/dbraw/zinc/38/29/48/389382948.db2.gz QCCWREZIAUGWFY-ZDUSSCGKSA-N 2 2 263.341 0.645 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC000332927856 389394412 /nfs/dbraw/zinc/39/44/12/389394412.db2.gz WEBATNUUHRXVEX-AGIUHOORSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC000332927856 389394416 /nfs/dbraw/zinc/39/44/16/389394416.db2.gz WEBATNUUHRXVEX-AGIUHOORSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC000332927856 389394417 /nfs/dbraw/zinc/39/44/17/389394417.db2.gz WEBATNUUHRXVEX-AGIUHOORSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC000332927856 389394421 /nfs/dbraw/zinc/39/44/21/389394421.db2.gz WEBATNUUHRXVEX-AGIUHOORSA-N 2 2 284.404 0.099 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000370244744 389405399 /nfs/dbraw/zinc/40/53/99/389405399.db2.gz RBJWKNLQDPAQOY-CYBMUJFWSA-N 2 2 278.356 0.446 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000370244744 389405403 /nfs/dbraw/zinc/40/54/03/389405403.db2.gz RBJWKNLQDPAQOY-CYBMUJFWSA-N 2 2 278.356 0.446 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421001635 389345121 /nfs/dbraw/zinc/34/51/21/389345121.db2.gz LHSJETFOMCONRF-KBPBESRZSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C[C@@H]1CCC[N@H+]1C ZINC000421001635 389345125 /nfs/dbraw/zinc/34/51/25/389345125.db2.gz LHSJETFOMCONRF-KBPBESRZSA-N 2 2 255.406 0.733 20 0 CCADLP CN(C)c1ncc(C[N@H+](CCO)C2CC[NH+](C)CC2)cn1 ZINC000269356308 389415361 /nfs/dbraw/zinc/41/53/61/389415361.db2.gz MPTVLDCKLMNWSH-UHFFFAOYSA-N 2 2 293.415 0.431 20 0 CCADLP CN(C)c1ncc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cn1 ZINC000269356308 389415362 /nfs/dbraw/zinc/41/53/62/389415362.db2.gz MPTVLDCKLMNWSH-UHFFFAOYSA-N 2 2 293.415 0.431 20 0 CCADLP C[NH2+]CCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000422733534 389462859 /nfs/dbraw/zinc/46/28/59/389462859.db2.gz RBOBLCVRMAODJJ-ZDUSSCGKSA-N 2 2 269.389 0.356 20 0 CCADLP C[NH2+]CCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000422733534 389462862 /nfs/dbraw/zinc/46/28/62/389462862.db2.gz RBOBLCVRMAODJJ-ZDUSSCGKSA-N 2 2 269.389 0.356 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000422740141 389463873 /nfs/dbraw/zinc/46/38/73/389463873.db2.gz MMPLSVGWDHKDNU-RDBSUJKOSA-N 3 2 282.432 0.161 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000422740141 389463877 /nfs/dbraw/zinc/46/38/77/389463877.db2.gz MMPLSVGWDHKDNU-RDBSUJKOSA-N 3 2 282.432 0.161 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000422740140 389464128 /nfs/dbraw/zinc/46/41/28/389464128.db2.gz MMPLSVGWDHKDNU-MGPQQGTHSA-N 3 2 282.432 0.161 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000422740140 389464132 /nfs/dbraw/zinc/46/41/32/389464132.db2.gz MMPLSVGWDHKDNU-MGPQQGTHSA-N 3 2 282.432 0.161 20 0 CCADLP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](C)[NH+](C)C)CC[NH2+]CC1 ZINC000422747429 389466763 /nfs/dbraw/zinc/46/67/63/389466763.db2.gz YQFKUGHXQVASCA-QWHCGFSZSA-N 3 2 285.432 0.848 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000373256078 389468249 /nfs/dbraw/zinc/46/82/49/389468249.db2.gz AGJUZRFXSAXYBX-NWDGAFQWSA-N 2 2 275.418 0.224 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000373256078 389468251 /nfs/dbraw/zinc/46/82/51/389468251.db2.gz AGJUZRFXSAXYBX-NWDGAFQWSA-N 2 2 275.418 0.224 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000373256078 389468253 /nfs/dbraw/zinc/46/82/53/389468253.db2.gz AGJUZRFXSAXYBX-NWDGAFQWSA-N 2 2 275.418 0.224 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000373256078 389468255 /nfs/dbraw/zinc/46/82/55/389468255.db2.gz AGJUZRFXSAXYBX-NWDGAFQWSA-N 2 2 275.418 0.224 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC1CCC([NH3+])CC1 ZINC000422767497 389469885 /nfs/dbraw/zinc/46/98/85/389469885.db2.gz RFUGFLDHOMGOKU-JXQTWKCFSA-N 2 2 283.416 0.873 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC1CCC([NH3+])CC1 ZINC000422767497 389469889 /nfs/dbraw/zinc/46/98/89/389469889.db2.gz RFUGFLDHOMGOKU-JXQTWKCFSA-N 2 2 283.416 0.873 20 0 CCADLP CC[NH+]1CCC([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000422773503 389472826 /nfs/dbraw/zinc/47/28/26/389472826.db2.gz UFHQXNZCHRDKKQ-CABCVRRESA-N 3 2 267.417 0.827 20 0 CCADLP O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000422804325 389477719 /nfs/dbraw/zinc/47/77/19/389477719.db2.gz HJZJBACQMQEFFD-ZFWWWQNUSA-N 2 2 295.427 0.746 20 0 CCADLP O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000422804325 389477721 /nfs/dbraw/zinc/47/77/21/389477721.db2.gz HJZJBACQMQEFFD-ZFWWWQNUSA-N 2 2 295.427 0.746 20 0 CCADLP CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000162563561 389420819 /nfs/dbraw/zinc/42/08/19/389420819.db2.gz GROFWRNDSMOENN-GFCCVEGCSA-N 2 2 286.401 0.285 20 0 CCADLP CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000162563561 389420825 /nfs/dbraw/zinc/42/08/25/389420825.db2.gz GROFWRNDSMOENN-GFCCVEGCSA-N 2 2 286.401 0.285 20 0 CCADLP C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371400187 389431971 /nfs/dbraw/zinc/43/19/71/389431971.db2.gz DOQKIPWFRSFWLK-GZBFAFLISA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371400187 389431973 /nfs/dbraw/zinc/43/19/73/389431973.db2.gz DOQKIPWFRSFWLK-GZBFAFLISA-N 2 2 295.427 0.696 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000270918102 389436745 /nfs/dbraw/zinc/43/67/45/389436745.db2.gz URXFAOUXRFXYSB-OLZOCXBDSA-N 2 2 262.357 0.935 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000270918102 389436748 /nfs/dbraw/zinc/43/67/48/389436748.db2.gz URXFAOUXRFXYSB-OLZOCXBDSA-N 2 2 262.357 0.935 20 0 CCADLP Cc1ccc2[nH+]c(CN3CCO[C@H](C[NH3+])C3)cn2c1 ZINC000165037822 389438206 /nfs/dbraw/zinc/43/82/06/389438206.db2.gz WKXJXSVVOUGVGH-CYBMUJFWSA-N 2 2 260.341 0.802 20 0 CCADLP C[C@@H]1CN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)[C@H](C)C[NH2+]1 ZINC000333794862 389444159 /nfs/dbraw/zinc/44/41/59/389444159.db2.gz NBGSKUDZQZSJOE-GMTAPVOTSA-N 2 2 277.372 0.659 20 0 CCADLP C[C@@H]1CN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)[C@H](C)C[NH2+]1 ZINC000333794862 389444162 /nfs/dbraw/zinc/44/41/62/389444162.db2.gz NBGSKUDZQZSJOE-GMTAPVOTSA-N 2 2 277.372 0.659 20 0 CCADLP C[NH2+]CC(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000168170721 389448996 /nfs/dbraw/zinc/44/89/96/389448996.db2.gz ULJUEWHIYHTQAU-GFCCVEGCSA-N 2 2 297.424 0.799 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCN(C)CC(F)(F)F ZINC000422701405 389453953 /nfs/dbraw/zinc/45/39/53/389453953.db2.gz BUTXQQTXIRGTER-QWRGUYRKSA-N 2 2 283.338 0.837 20 0 CCADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CC[NH2+]CC1 ZINC000422701499 389454047 /nfs/dbraw/zinc/45/40/47/389454047.db2.gz IRUJTMHSCQZBAP-ZDUSSCGKSA-N 2 2 267.373 0.062 20 0 CCADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CC[NH2+]CC1 ZINC000422701499 389454049 /nfs/dbraw/zinc/45/40/49/389454049.db2.gz IRUJTMHSCQZBAP-ZDUSSCGKSA-N 2 2 267.373 0.062 20 0 CCADLP COc1cccc(CC[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)n1 ZINC000422988877 389518202 /nfs/dbraw/zinc/51/82/02/389518202.db2.gz AGFLWLCBUZZXDO-TZMCWYRMSA-N 2 2 279.384 0.989 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCOc1ncccc1F ZINC000422990848 389518474 /nfs/dbraw/zinc/51/84/74/389518474.db2.gz ACEIHZJQIUHNTR-NWDGAFQWSA-N 2 2 283.347 0.956 20 0 CCADLP CC1=CC[N@H+](CCN[C@H](C)C[C@H]2COCC[NH2+]2)CC1 ZINC000423036808 389524959 /nfs/dbraw/zinc/52/49/59/389524959.db2.gz LQUGMYOIQOTPQP-CABCVRRESA-N 2 2 267.417 0.995 20 0 CCADLP CC1=CC[N@@H+](CCN[C@H](C)C[C@H]2COCC[NH2+]2)CC1 ZINC000423036808 389524960 /nfs/dbraw/zinc/52/49/60/389524960.db2.gz LQUGMYOIQOTPQP-CABCVRRESA-N 2 2 267.417 0.995 20 0 CCADLP CC1=CCN(CC[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)CC1 ZINC000423036808 389524961 /nfs/dbraw/zinc/52/49/61/389524961.db2.gz LQUGMYOIQOTPQP-CABCVRRESA-N 2 2 267.417 0.995 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000423077799 389530087 /nfs/dbraw/zinc/53/00/87/389530087.db2.gz UOTXVTFNHREOEE-PMPSAXMXSA-N 3 2 299.459 0.844 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000423077799 389530089 /nfs/dbraw/zinc/53/00/89/389530089.db2.gz UOTXVTFNHREOEE-PMPSAXMXSA-N 3 2 299.459 0.844 20 0 CCADLP C[C@H](C[C@H]1COCCN1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000423077799 389530092 /nfs/dbraw/zinc/53/00/92/389530092.db2.gz UOTXVTFNHREOEE-PMPSAXMXSA-N 2 2 299.459 0.844 20 0 CCADLP C[C@H](C[C@H]1COCCN1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000423077799 389530095 /nfs/dbraw/zinc/53/00/95/389530095.db2.gz UOTXVTFNHREOEE-PMPSAXMXSA-N 2 2 299.459 0.844 20 0 CCADLP CC[C@@H]1CN(CC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CCO1 ZINC000423087857 389531639 /nfs/dbraw/zinc/53/16/39/389531639.db2.gz OUWDPWBOLKBPEJ-MJBXVCDLSA-N 2 2 255.406 0.685 20 0 CCADLP CC[C@@H]1C[N@H+](CCN[C@H]2C[NH2+]CC[C@@H]2C)CCO1 ZINC000423087857 389531645 /nfs/dbraw/zinc/53/16/45/389531645.db2.gz OUWDPWBOLKBPEJ-MJBXVCDLSA-N 2 2 255.406 0.685 20 0 CCADLP CC[C@@H]1C[N@@H+](CCN[C@H]2C[NH2+]CC[C@@H]2C)CCO1 ZINC000423087857 389531649 /nfs/dbraw/zinc/53/16/49/389531649.db2.gz OUWDPWBOLKBPEJ-MJBXVCDLSA-N 2 2 255.406 0.685 20 0 CCADLP CC[C@@H]1CN(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CCO1 ZINC000423091224 389532600 /nfs/dbraw/zinc/53/26/00/389532600.db2.gz XAMVEYLCZCCNRQ-BFHYXJOUSA-N 2 2 255.406 0.827 20 0 CCADLP CC[C@@H]1C[N@H+](CCN[C@@H](C)[C@H]2CCC[NH2+]2)CCO1 ZINC000423091224 389532605 /nfs/dbraw/zinc/53/26/05/389532605.db2.gz XAMVEYLCZCCNRQ-BFHYXJOUSA-N 2 2 255.406 0.827 20 0 CCADLP CC[C@@H]1C[N@@H+](CCN[C@@H](C)[C@H]2CCC[NH2+]2)CCO1 ZINC000423091224 389532609 /nfs/dbraw/zinc/53/26/09/389532609.db2.gz XAMVEYLCZCCNRQ-BFHYXJOUSA-N 2 2 255.406 0.827 20 0 CCADLP C[C@H]([NH2+][C@@H]1CC(=O)N2CCCC[C@H]12)[C@@H]1CCC[NH2+]1 ZINC000423106476 389535267 /nfs/dbraw/zinc/53/52/67/389535267.db2.gz CYJMYADBYRPHCT-WUHRBBMRSA-N 2 2 251.374 0.870 20 0 CCADLP C[C@@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000423112866 389536589 /nfs/dbraw/zinc/53/65/89/389536589.db2.gz SNYPYOPMXRHXHP-UTUOFQBUSA-N 2 2 295.349 0.980 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC000423112200 389536616 /nfs/dbraw/zinc/53/66/16/389536616.db2.gz RQQUGNRXYFDWTD-WOPDTQHZSA-N 2 2 295.349 0.837 20 0 CCADLP CNC(=O)COc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000423115036 389537524 /nfs/dbraw/zinc/53/75/24/389537524.db2.gz WYQCDWZMEFBGOY-SWLSCSKDSA-N 2 2 291.395 0.899 20 0 CCADLP CO[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000423136836 389540646 /nfs/dbraw/zinc/54/06/46/389540646.db2.gz PSLBWTUDMKXQDJ-RDBSUJKOSA-N 2 2 254.374 0.768 20 0 CCADLP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000423144187 389543305 /nfs/dbraw/zinc/54/33/05/389543305.db2.gz GGTDZYYJXXWROP-ZIAGYGMSSA-N 3 2 257.422 0.940 20 0 CCADLP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000423144187 389543309 /nfs/dbraw/zinc/54/33/09/389543309.db2.gz GGTDZYYJXXWROP-ZIAGYGMSSA-N 3 2 257.422 0.940 20 0 CCADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)N2CCOCC2)C1 ZINC000350806672 389544573 /nfs/dbraw/zinc/54/45/73/389544573.db2.gz PBVGGXXNMVXFNV-HNNXBMFYSA-N 2 2 295.427 0.509 20 0 CCADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)N2CCOCC2)C1 ZINC000350806672 389544580 /nfs/dbraw/zinc/54/45/80/389544580.db2.gz PBVGGXXNMVXFNV-HNNXBMFYSA-N 2 2 295.427 0.509 20 0 CCADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000350806672 389544587 /nfs/dbraw/zinc/54/45/87/389544587.db2.gz PBVGGXXNMVXFNV-HNNXBMFYSA-N 2 2 295.427 0.509 20 0 CCADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000350806672 389544592 /nfs/dbraw/zinc/54/45/92/389544592.db2.gz PBVGGXXNMVXFNV-HNNXBMFYSA-N 2 2 295.427 0.509 20 0 CCADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000423190339 389550931 /nfs/dbraw/zinc/55/09/31/389550931.db2.gz NPQCZRIMDMZHHX-DGCLKSJQSA-N 2 2 297.424 0.997 20 0 CCADLP CC[C@H](C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1)[NH+](C)C ZINC000413779368 389556383 /nfs/dbraw/zinc/55/63/83/389556383.db2.gz DZWFJDNULJGMPZ-ZIAGYGMSSA-N 2 2 276.384 0.895 20 0 CCADLP CCC[NH2+]CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423314811 389562757 /nfs/dbraw/zinc/56/27/57/389562757.db2.gz WOGSEXPMJKUGLG-MCIONIFRSA-N 3 2 255.406 0.733 20 0 CCADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000422899483 389502776 /nfs/dbraw/zinc/50/27/76/389502776.db2.gz OQJQQAOBQWQXGM-KBPBESRZSA-N 2 2 284.448 0.454 20 0 CCADLP CCNC(=O)C(C)(C)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414358811 389612481 /nfs/dbraw/zinc/61/24/81/389612481.db2.gz IAYKOAIJUXAFQU-UHFFFAOYSA-N 2 2 281.404 0.738 20 0 CCADLP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000423851629 389612735 /nfs/dbraw/zinc/61/27/35/389612735.db2.gz RWBXAYCZXRLIPN-JTQLQIEISA-N 2 2 261.316 0.536 20 0 CCADLP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000423851629 389612738 /nfs/dbraw/zinc/61/27/38/389612738.db2.gz RWBXAYCZXRLIPN-JTQLQIEISA-N 2 2 261.316 0.536 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+]C2CCN(CC(=O)OC)CC2)C1 ZINC000414548858 389621035 /nfs/dbraw/zinc/62/10/35/389621035.db2.gz KOVOVOPVXRJAQZ-ZDUSSCGKSA-N 2 2 269.389 0.308 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+]C2CCN(CC(=O)OC)CC2)C1 ZINC000414548858 389621040 /nfs/dbraw/zinc/62/10/40/389621040.db2.gz KOVOVOPVXRJAQZ-ZDUSSCGKSA-N 2 2 269.389 0.308 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCCC[C@]1(C)C(N)=O)C1CC1 ZINC000351596410 389626124 /nfs/dbraw/zinc/62/61/24/389626124.db2.gz SNYOKHQJCQAGFD-GXTWGEPZSA-N 2 2 269.389 0.171 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCCC[C@]1(C)C(N)=O)C1CC1 ZINC000351596410 389626131 /nfs/dbraw/zinc/62/61/31/389626131.db2.gz SNYOKHQJCQAGFD-GXTWGEPZSA-N 2 2 269.389 0.171 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCCC[C@]1(C)C(N)=O)C1CC1 ZINC000351596410 389626136 /nfs/dbraw/zinc/62/61/36/389626136.db2.gz SNYOKHQJCQAGFD-GXTWGEPZSA-N 2 2 269.389 0.171 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCCC[C@]1(C)C(N)=O)C1CC1 ZINC000351596410 389626141 /nfs/dbraw/zinc/62/61/41/389626141.db2.gz SNYOKHQJCQAGFD-GXTWGEPZSA-N 2 2 269.389 0.171 20 0 CCADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000281956925 389639766 /nfs/dbraw/zinc/63/97/66/389639766.db2.gz SZKHQISTGUURBM-LBPRGKRZSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000281956925 389639767 /nfs/dbraw/zinc/63/97/67/389639767.db2.gz SZKHQISTGUURBM-LBPRGKRZSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000281956925 389639769 /nfs/dbraw/zinc/63/97/69/389639769.db2.gz SZKHQISTGUURBM-LBPRGKRZSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000281956925 389639772 /nfs/dbraw/zinc/63/97/72/389639772.db2.gz SZKHQISTGUURBM-LBPRGKRZSA-N 2 2 294.399 0.646 20 0 CCADLP COCC[NH2+]CC[NH2+]Cc1cnc2nc(C)cc(C)n12 ZINC000414883122 389642406 /nfs/dbraw/zinc/64/24/06/389642406.db2.gz MBSMNSVHGAKQAK-UHFFFAOYSA-N 2 2 277.372 0.672 20 0 CCADLP CCN(C)c1ccc(C[NH2+]CC[NH2+]CCOC)cn1 ZINC000414893511 389643759 /nfs/dbraw/zinc/64/37/59/389643759.db2.gz YMFJTEYHELETHH-UHFFFAOYSA-N 2 2 266.389 0.863 20 0 CCADLP C[C@@H]1CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)[C@H]1CO ZINC000425330479 389644643 /nfs/dbraw/zinc/64/46/43/389644643.db2.gz ATQYCBQZNZGYIL-PWSUYJOCSA-N 2 2 252.362 0.689 20 0 CCADLP C[C@@H]1CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)[C@H]1CO ZINC000425330479 389644647 /nfs/dbraw/zinc/64/46/47/389644647.db2.gz ATQYCBQZNZGYIL-PWSUYJOCSA-N 2 2 252.362 0.689 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000423369371 389574705 /nfs/dbraw/zinc/57/47/05/389574705.db2.gz BUUDBVGNNWYCOB-MQYQWHSLSA-N 2 2 283.416 0.600 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)[NH+]1CCOCC1 ZINC000423369373 389575256 /nfs/dbraw/zinc/57/52/56/389575256.db2.gz BUUDBVGNNWYCOB-RQJABVFESA-N 2 2 283.416 0.600 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000279436935 389576102 /nfs/dbraw/zinc/57/61/02/389576102.db2.gz MYCURGZBTJTDGP-CYBMUJFWSA-N 2 2 292.383 0.441 20 0 CCADLP CC1(C)CCC[NH2+][C@@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000423387428 389577323 /nfs/dbraw/zinc/57/73/23/389577323.db2.gz SEOGGRJWQSVZPE-CYBMUJFWSA-N 2 2 297.443 0.992 20 0 CCADLP CC1(C)CCC[NH2+][C@@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000423387428 389577327 /nfs/dbraw/zinc/57/73/27/389577327.db2.gz SEOGGRJWQSVZPE-CYBMUJFWSA-N 2 2 297.443 0.992 20 0 CCADLP COC(=O)c1ccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)[nH]1 ZINC000414929125 389645198 /nfs/dbraw/zinc/64/51/98/389645198.db2.gz NQWXPPMIMMLDIP-CABZTGNLSA-N 2 2 251.330 0.889 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)C1(C)C[NH2+]C1 ZINC000423425517 389585089 /nfs/dbraw/zinc/58/50/89/389585089.db2.gz OCNGXKVUKNBAMC-UHFFFAOYSA-N 2 2 250.346 0.765 20 0 CCADLP CN(C(=O)C[NH+](C)C)C(C)(C)C[NH+]1CCOCC1 ZINC000414055070 389599456 /nfs/dbraw/zinc/59/94/56/389599456.db2.gz WOVMQALKNFRQHV-UHFFFAOYSA-N 2 2 257.378 0.117 20 0 CCADLP CN(C)C(=O)N1CC[N@H+](CCn2cc[nH+]c2)C(C)(C)C1 ZINC000335748719 389604733 /nfs/dbraw/zinc/60/47/33/389604733.db2.gz FNPCJAPFCDOBFH-UHFFFAOYSA-N 2 2 279.388 0.961 20 0 CCADLP CN(C)C(=O)N1CC[N@@H+](CCn2cc[nH+]c2)C(C)(C)C1 ZINC000335748719 389604735 /nfs/dbraw/zinc/60/47/35/389604735.db2.gz FNPCJAPFCDOBFH-UHFFFAOYSA-N 2 2 279.388 0.961 20 0 CCADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000351931651 389718080 /nfs/dbraw/zinc/71/80/80/389718080.db2.gz SLLPCASLTHZMAX-AWEZNQCLSA-N 2 2 278.356 0.887 20 0 CCADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000351931651 389718084 /nfs/dbraw/zinc/71/80/84/389718084.db2.gz SLLPCASLTHZMAX-AWEZNQCLSA-N 2 2 278.356 0.887 20 0 CCADLP CC[NH+](CC)CCC[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428815714 389720819 /nfs/dbraw/zinc/72/08/19/389720819.db2.gz VSTDQTHHKJOMTJ-ZDUSSCGKSA-N 2 2 291.461 0.684 20 0 CCADLP CC[NH+](CC)CCC[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428815714 389720821 /nfs/dbraw/zinc/72/08/21/389720821.db2.gz VSTDQTHHKJOMTJ-ZDUSSCGKSA-N 2 2 291.461 0.684 20 0 CCADLP CC[NH+](CC)CCC[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428815713 389720950 /nfs/dbraw/zinc/72/09/50/389720950.db2.gz VSTDQTHHKJOMTJ-CYBMUJFWSA-N 2 2 291.461 0.684 20 0 CCADLP CC[NH+](CC)CCC[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428815713 389720954 /nfs/dbraw/zinc/72/09/54/389720954.db2.gz VSTDQTHHKJOMTJ-CYBMUJFWSA-N 2 2 291.461 0.684 20 0 CCADLP COc1ccc(C[NH2+]C[C@H]2C[NH2+]CCN2C)cc1OC ZINC000414965850 389649297 /nfs/dbraw/zinc/64/92/97/389649297.db2.gz NVWLDXUOFWZGJG-CYBMUJFWSA-N 2 2 279.384 0.697 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)oc1C ZINC000415043021 389652918 /nfs/dbraw/zinc/65/29/18/389652918.db2.gz RDLRJJIVJSKZQR-LBPRGKRZSA-N 2 2 282.340 0.843 20 0 CCADLP C([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)[C@@H]1C[NH2+]CCO1 ZINC000415090409 389656688 /nfs/dbraw/zinc/65/66/88/389656688.db2.gz AMDBTICOFQFERE-WUHRBBMRSA-N 2 2 252.358 0.522 20 0 CCADLP Cc1ccn2c(CN(C)[C@H]3C[NH2+]C[C@@H]3O)c[nH+]c2c1 ZINC000415096591 389658178 /nfs/dbraw/zinc/65/81/78/389658178.db2.gz DUOQTZYYSSZCDD-STQMWFEESA-N 2 2 260.341 0.407 20 0 CCADLP Cc1cccc2ncc(C[NH2+]C[C@H]3C[NH2+]CCO3)n21 ZINC000415099108 389659744 /nfs/dbraw/zinc/65/97/44/389659744.db2.gz XTEMYHWNRXOBNS-CYBMUJFWSA-N 2 2 260.341 0.721 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000351775130 389677320 /nfs/dbraw/zinc/67/73/20/389677320.db2.gz QSWDUPHCHYGHCR-UHFFFAOYSA-N 2 2 271.405 0.509 20 0 CCADLP C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C)[nH+]c2C)C1 ZINC000415375966 389678934 /nfs/dbraw/zinc/67/89/34/389678934.db2.gz MORXJBINSQKHJX-GFCCVEGCSA-N 2 2 290.367 0.847 20 0 CCADLP CO[C@H](C)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000182237979 389704151 /nfs/dbraw/zinc/70/41/51/389704151.db2.gz XRXIAXNIHKFBCX-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CO[C@H](C)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000182237979 389704154 /nfs/dbraw/zinc/70/41/54/389704154.db2.gz XRXIAXNIHKFBCX-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC000428520324 389704237 /nfs/dbraw/zinc/70/42/37/389704237.db2.gz GSOAHSKTKZPLHK-MJBXVCDLSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC000428520324 389704239 /nfs/dbraw/zinc/70/42/39/389704239.db2.gz GSOAHSKTKZPLHK-MJBXVCDLSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000428520324 389704243 /nfs/dbraw/zinc/70/42/43/389704243.db2.gz GSOAHSKTKZPLHK-MJBXVCDLSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000428520324 389704245 /nfs/dbraw/zinc/70/42/45/389704245.db2.gz GSOAHSKTKZPLHK-MJBXVCDLSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000428520321 389704375 /nfs/dbraw/zinc/70/43/75/389704375.db2.gz GSOAHSKTKZPLHK-MGPQQGTHSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000428520321 389704376 /nfs/dbraw/zinc/70/43/76/389704376.db2.gz GSOAHSKTKZPLHK-MGPQQGTHSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000416834093 389775204 /nfs/dbraw/zinc/77/52/04/389775204.db2.gz WHRIDPGWACYYDA-CHWSQXEVSA-N 2 2 298.431 0.394 20 0 CCADLP CC(C)C[C@@H](C[NH3+])NC(=O)NCCn1cc[nH+]c1 ZINC000416838614 389775493 /nfs/dbraw/zinc/77/54/93/389775493.db2.gz CEDHTIZBPINMCC-NSHDSACASA-N 2 2 253.350 0.556 20 0 CCADLP C[C@@H](CNC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000417001643 389788149 /nfs/dbraw/zinc/78/81/49/389788149.db2.gz FBMMZFMLJJLMKZ-HZSPNIEDSA-N 2 2 298.431 0.476 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)N1CC[NH2+]CC1 ZINC000417020635 389790574 /nfs/dbraw/zinc/79/05/74/389790574.db2.gz SHMSCUCYPJNOKI-UHFFFAOYSA-N 2 2 263.345 0.262 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000417045070 389792124 /nfs/dbraw/zinc/79/21/24/389792124.db2.gz ZDHAPBPFUAWYMP-ZIAGYGMSSA-N 2 2 298.431 0.539 20 0 CCADLP [NH3+]C[C@H]1CN(C(=O)NCCCNc2cccc[nH+]2)CCO1 ZINC000417071037 389793204 /nfs/dbraw/zinc/79/32/04/389793204.db2.gz GKRPXKUTVKSGJQ-LBPRGKRZSA-N 2 2 293.371 0.253 20 0 CCADLP CC(C)([NH3+])CNC(=O)NCCCNc1cccc[nH+]1 ZINC000417078365 389794501 /nfs/dbraw/zinc/79/45/01/389794501.db2.gz MIOQMLXMLYWDHW-UHFFFAOYSA-N 2 2 265.361 0.920 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000352356174 389796080 /nfs/dbraw/zinc/79/60/80/389796080.db2.gz GSWKWVVZYALMKP-ZFWWWQNUSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000352356174 389796082 /nfs/dbraw/zinc/79/60/82/389796082.db2.gz GSWKWVVZYALMKP-ZFWWWQNUSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H](CN1CCOCC1)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000352356174 389796084 /nfs/dbraw/zinc/79/60/84/389796084.db2.gz GSWKWVVZYALMKP-ZFWWWQNUSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H](CN1CCOCC1)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000352356174 389796086 /nfs/dbraw/zinc/79/60/86/389796086.db2.gz GSWKWVVZYALMKP-ZFWWWQNUSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H](CN1CCOCC1)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000352356174 389796087 /nfs/dbraw/zinc/79/60/87/389796087.db2.gz GSWKWVVZYALMKP-ZFWWWQNUSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H](CN1CCOCC1)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000352356174 389796090 /nfs/dbraw/zinc/79/60/90/389796090.db2.gz GSWKWVVZYALMKP-ZFWWWQNUSA-N 2 2 285.432 0.094 20 0 CCADLP COCC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@@H]1CCOC1 ZINC000352355362 389796657 /nfs/dbraw/zinc/79/66/57/389796657.db2.gz BYFDVXWGJVFBIR-KGLIPLIRSA-N 2 2 272.389 0.179 20 0 CCADLP COCC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@@H]1CCOC1 ZINC000352355362 389796659 /nfs/dbraw/zinc/79/66/59/389796659.db2.gz BYFDVXWGJVFBIR-KGLIPLIRSA-N 2 2 272.389 0.179 20 0 CCADLP COCC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCOC1 ZINC000352355362 389796661 /nfs/dbraw/zinc/79/66/61/389796661.db2.gz BYFDVXWGJVFBIR-KGLIPLIRSA-N 2 2 272.389 0.179 20 0 CCADLP C[C@H](CS(C)(=O)=O)[N@H+](C)CCCn1cc[nH+]c1 ZINC000183177691 389726289 /nfs/dbraw/zinc/72/62/89/389726289.db2.gz AGAJBCHGCRIYFC-LLVKDONJSA-N 2 2 259.375 0.638 20 0 CCADLP C[C@H](CS(C)(=O)=O)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000183177691 389726294 /nfs/dbraw/zinc/72/62/94/389726294.db2.gz AGAJBCHGCRIYFC-LLVKDONJSA-N 2 2 259.375 0.638 20 0 CCADLP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429001000 389732603 /nfs/dbraw/zinc/73/26/03/389732603.db2.gz NEDDXCJUUIDTAQ-OAHLLOKOSA-N 2 2 265.401 0.882 20 0 CCADLP CN(CC1CC1)C(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429001000 389732606 /nfs/dbraw/zinc/73/26/06/389732606.db2.gz NEDDXCJUUIDTAQ-OAHLLOKOSA-N 2 2 265.401 0.882 20 0 CCADLP CN(CC1CC1)C(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429001000 389732610 /nfs/dbraw/zinc/73/26/10/389732610.db2.gz NEDDXCJUUIDTAQ-OAHLLOKOSA-N 2 2 265.401 0.882 20 0 CCADLP CN(CC1CC1)C(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000429001000 389732612 /nfs/dbraw/zinc/73/26/12/389732612.db2.gz NEDDXCJUUIDTAQ-OAHLLOKOSA-N 2 2 265.401 0.882 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000352013283 389735593 /nfs/dbraw/zinc/73/55/93/389735593.db2.gz IIDWISZYRBGFBE-UPJWGTAASA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000352013283 389735595 /nfs/dbraw/zinc/73/55/95/389735595.db2.gz IIDWISZYRBGFBE-UPJWGTAASA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@H]1CCC[NH2+]1 ZINC000400449759 389797324 /nfs/dbraw/zinc/79/73/24/389797324.db2.gz QNJPAMMAWWAMJA-ZIAGYGMSSA-N 3 2 268.449 0.743 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+](C)[C@H]2CCSC2)[C@@H](C)C[N@@H+]1C ZINC000352029957 389739215 /nfs/dbraw/zinc/73/92/15/389739215.db2.gz SWSKJUHRWRQWLD-AGIUHOORSA-N 2 2 285.457 0.975 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+](C)[C@H]2CCSC2)[C@@H](C)C[N@H+]1C ZINC000352029957 389739217 /nfs/dbraw/zinc/73/92/17/389739217.db2.gz SWSKJUHRWRQWLD-AGIUHOORSA-N 2 2 285.457 0.975 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+](C)[C@H]2CCSC2)[C@@H](C)C[NH+]1C ZINC000352029957 389739219 /nfs/dbraw/zinc/73/92/19/389739219.db2.gz SWSKJUHRWRQWLD-AGIUHOORSA-N 2 2 285.457 0.975 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)[C@H]2CCSC2)[C@@H](C)C[NH+]1C ZINC000352029957 389739221 /nfs/dbraw/zinc/73/92/21/389739221.db2.gz SWSKJUHRWRQWLD-AGIUHOORSA-N 2 2 285.457 0.975 20 0 CCADLP CCONC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376623627 389739766 /nfs/dbraw/zinc/73/97/66/389739766.db2.gz RANLAGCWGBHPDD-CYBMUJFWSA-N 2 2 284.404 0.748 20 0 CCADLP CCONC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376623627 389739770 /nfs/dbraw/zinc/73/97/70/389739770.db2.gz RANLAGCWGBHPDD-CYBMUJFWSA-N 2 2 284.404 0.748 20 0 CCADLP [NH3+][C@@H](CNC(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000416431063 389742191 /nfs/dbraw/zinc/74/21/91/389742191.db2.gz GRPIAVICDUKXSK-AWEZNQCLSA-N 2 2 292.383 0.318 20 0 CCADLP C[C@H]1CCN(C(=O)NCCCn2cc[nH+]c2)C[C@@H]1C[NH3+] ZINC000416450321 389744780 /nfs/dbraw/zinc/74/47/80/389744780.db2.gz XLXQYPRJCHIKOZ-STQMWFEESA-N 2 2 279.388 0.900 20 0 CCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccncc1 ZINC000430552520 389807033 /nfs/dbraw/zinc/80/70/33/389807033.db2.gz RXJCTKUHKBVGDO-CYBMUJFWSA-N 2 2 250.346 0.405 20 0 CCADLP COCCc1noc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000430567171 389808254 /nfs/dbraw/zinc/80/82/54/389808254.db2.gz AHNSCQWQMQOCBE-MNOVXSKESA-N 2 2 268.361 0.818 20 0 CCADLP COCCc1noc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000430567171 389808257 /nfs/dbraw/zinc/80/82/57/389808257.db2.gz AHNSCQWQMQOCBE-MNOVXSKESA-N 2 2 268.361 0.818 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000430575806 389809235 /nfs/dbraw/zinc/80/92/35/389809235.db2.gz AHSVJRNSKUOWRZ-KBPBESRZSA-N 2 2 293.415 0.831 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000430575806 389809236 /nfs/dbraw/zinc/80/92/36/389809236.db2.gz AHSVJRNSKUOWRZ-KBPBESRZSA-N 2 2 293.415 0.831 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH2+][C@](C)(C[NH3+])C2CC2)C[C@H](C)O1 ZINC000430588107 389809955 /nfs/dbraw/zinc/80/99/55/389809955.db2.gz CBYXRGOKIWVGDP-UHIISALHSA-N 2 2 269.389 0.339 20 0 CCADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)NC1CCOCC1 ZINC000430586783 389810083 /nfs/dbraw/zinc/81/00/83/389810083.db2.gz XKVCEEQBXFSZQI-ZDUSSCGKSA-N 2 2 257.378 0.245 20 0 CCADLP Cc1cc(NC(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)n(C)n1 ZINC000430594013 389810492 /nfs/dbraw/zinc/81/04/92/389810492.db2.gz QHQFQJCSZRLJIY-ZDUSSCGKSA-N 2 2 265.361 0.384 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000430591364 389810656 /nfs/dbraw/zinc/81/06/56/389810656.db2.gz FENGWBAMRBUXCW-CYBMUJFWSA-N 2 2 272.393 0.431 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](C[NH3+])C2)CC1 ZINC000430603708 389812412 /nfs/dbraw/zinc/81/24/12/389812412.db2.gz KWYOCIBKZHIVIN-UONOGXRCSA-N 3 2 282.432 0.210 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](C[NH3+])C2)CC1 ZINC000430603708 389812413 /nfs/dbraw/zinc/81/24/13/389812413.db2.gz KWYOCIBKZHIVIN-UONOGXRCSA-N 3 2 282.432 0.210 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)NCC2([NH3+])CCC2)CCO1 ZINC000417410665 389813509 /nfs/dbraw/zinc/81/35/09/389813509.db2.gz BZXYQIGYVOQDIU-UHFFFAOYSA-N 2 2 284.404 0.278 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)NCC2([NH3+])CCC2)CCO1 ZINC000417410665 389813511 /nfs/dbraw/zinc/81/35/11/389813511.db2.gz BZXYQIGYVOQDIU-UHFFFAOYSA-N 2 2 284.404 0.278 20 0 CCADLP C[C@H]([NH3+])[C@H](C)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000417422029 389815036 /nfs/dbraw/zinc/81/50/36/389815036.db2.gz JZWFTKXJKXIHMY-QWRGUYRKSA-N 2 2 272.393 0.132 20 0 CCADLP C[C@H]([NH3+])[C@H](C)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000417422029 389815039 /nfs/dbraw/zinc/81/50/39/389815039.db2.gz JZWFTKXJKXIHMY-QWRGUYRKSA-N 2 2 272.393 0.132 20 0 CCADLP C[NH2+]C[C@@H]1CCCN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000417508449 389823212 /nfs/dbraw/zinc/82/32/12/389823212.db2.gz QIYOWOPAFRHLQK-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH2+]C[C@@H]1CCCN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000417508449 389823214 /nfs/dbraw/zinc/82/32/14/389823214.db2.gz QIYOWOPAFRHLQK-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H](CCC[NH3+])NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000417507804 389823312 /nfs/dbraw/zinc/82/33/12/389823312.db2.gz POYPCKUQUIMARA-LBPRGKRZSA-N 2 2 286.420 0.524 20 0 CCADLP C[C@@H](CCC[NH3+])NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000417507804 389823315 /nfs/dbraw/zinc/82/33/15/389823315.db2.gz POYPCKUQUIMARA-LBPRGKRZSA-N 2 2 286.420 0.524 20 0 CCADLP C[C@H](NC(=O)N[C@@H]1CC[C@H](C[NH3+])C1)[C@H](C)[NH+]1CCOCC1 ZINC000417517397 389825468 /nfs/dbraw/zinc/82/54/68/389825468.db2.gz IUVCIAHGHSVQJX-XDQVBPFNSA-N 2 2 298.431 0.522 20 0 CCADLP C[C@@H](NC(=O)NC1(C)CC[NH2+]CC1)[C@H](C)[NH+]1CCOCC1 ZINC000417524531 389826111 /nfs/dbraw/zinc/82/61/11/389826111.db2.gz SPZYTZVBYCCHKL-OLZOCXBDSA-N 2 2 298.431 0.537 20 0 CCADLP COCCn1cc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000352540073 389828786 /nfs/dbraw/zinc/82/87/86/389828786.db2.gz GTPUOMAPYMTERD-OAHLLOKOSA-N 2 2 293.415 0.009 20 0 CCADLP COCCn1cc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cn1 ZINC000352540072 389829288 /nfs/dbraw/zinc/82/92/88/389829288.db2.gz GTPUOMAPYMTERD-HNNXBMFYSA-N 2 2 293.415 0.009 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C1([NH3+])CCCCC1 ZINC000430892491 389832258 /nfs/dbraw/zinc/83/22/58/389832258.db2.gz FPJLVXFWTZKALN-LBPRGKRZSA-N 2 2 269.389 0.485 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C1([NH3+])CCCCC1 ZINC000430892491 389832260 /nfs/dbraw/zinc/83/22/60/389832260.db2.gz FPJLVXFWTZKALN-LBPRGKRZSA-N 2 2 269.389 0.485 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000430919508 389835234 /nfs/dbraw/zinc/83/52/34/389835234.db2.gz QVSYIPAOXCCWPL-AAEUAGOBSA-N 2 2 277.372 0.067 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000430919508 389835236 /nfs/dbraw/zinc/83/52/36/389835236.db2.gz QVSYIPAOXCCWPL-AAEUAGOBSA-N 2 2 277.372 0.067 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000430965047 389840904 /nfs/dbraw/zinc/84/09/04/389840904.db2.gz HOGMBKKTYRFAHX-AWEZNQCLSA-N 3 2 296.459 0.517 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000430965047 389840910 /nfs/dbraw/zinc/84/09/10/389840910.db2.gz HOGMBKKTYRFAHX-AWEZNQCLSA-N 3 2 296.459 0.517 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000430969718 389841478 /nfs/dbraw/zinc/84/14/78/389841478.db2.gz DVZWEUWQYRBEAJ-JSGCOSHPSA-N 3 2 282.432 0.256 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000430969718 389841480 /nfs/dbraw/zinc/84/14/80/389841480.db2.gz DVZWEUWQYRBEAJ-JSGCOSHPSA-N 3 2 282.432 0.256 20 0 CCADLP Cc1ccsc1CNC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430968055 389841844 /nfs/dbraw/zinc/84/18/44/389841844.db2.gz VOXPEVAUPIWZPQ-NSHDSACASA-N 2 2 267.398 0.953 20 0 CCADLP Cc1ccsc1CNC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430968055 389841847 /nfs/dbraw/zinc/84/18/47/389841847.db2.gz VOXPEVAUPIWZPQ-NSHDSACASA-N 2 2 267.398 0.953 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[NH2+]CC1 ZINC000417743607 389848685 /nfs/dbraw/zinc/84/86/85/389848685.db2.gz XJOKNOJDEUUOIP-UHFFFAOYSA-N 2 2 265.361 0.654 20 0 CCADLP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000353433354 389851229 /nfs/dbraw/zinc/85/12/29/389851229.db2.gz TZTWNHOAIQKESP-RBSFLKMASA-N 2 2 296.459 0.373 20 0 CCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CCC(O)CC1 ZINC000353494783 389852661 /nfs/dbraw/zinc/85/26/61/389852661.db2.gz FHYBHWVIQRCAGV-NRXISQOPSA-N 2 2 297.443 0.822 20 0 CCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C1CCC(O)CC1 ZINC000353494783 389852663 /nfs/dbraw/zinc/85/26/63/389852663.db2.gz FHYBHWVIQRCAGV-NRXISQOPSA-N 2 2 297.443 0.822 20 0 CCADLP C[C@@H](C(=O)NCC[NH+]1CCCC1)[NH+]1CCSCC1 ZINC000442711961 389858086 /nfs/dbraw/zinc/85/80/86/389858086.db2.gz TXCBWQGAXYEGOG-LBPRGKRZSA-N 2 2 271.430 0.636 20 0 CCADLP CC[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)C1(C(=O)OC)CCC1 ZINC000354092702 389859127 /nfs/dbraw/zinc/85/91/27/389859127.db2.gz OWNRIRLFAPHACB-KBPBESRZSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)C1(C(=O)OC)CCC1 ZINC000354092702 389859130 /nfs/dbraw/zinc/85/91/30/389859130.db2.gz OWNRIRLFAPHACB-KBPBESRZSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000442771290 389862327 /nfs/dbraw/zinc/86/23/27/389862327.db2.gz ZJKJVVVCMQZYHI-WZRBSPASSA-N 2 2 277.372 0.195 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000442771290 389862328 /nfs/dbraw/zinc/86/23/28/389862328.db2.gz ZJKJVVVCMQZYHI-WZRBSPASSA-N 2 2 277.372 0.195 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+]3CCC3)[C@H](F)C2)O1 ZINC000527557886 285349941 /nfs/dbraw/zinc/34/99/41/285349941.db2.gz IPLBQYDHEAONNR-YIYPIFLZSA-N 2 2 299.390 0.350 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+]3CCC3)[C@H](F)C2)O1 ZINC000527557886 285349944 /nfs/dbraw/zinc/34/99/44/285349944.db2.gz IPLBQYDHEAONNR-YIYPIFLZSA-N 2 2 299.390 0.350 20 0 CCADLP Cc1nc(N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)nc(N(C)C)[nH+]1 ZINC000419002024 389885863 /nfs/dbraw/zinc/88/58/63/389885863.db2.gz LXNUOLZOFAVAFZ-GHMZBOCLSA-N 2 2 294.403 0.137 20 0 CCADLP Cc1nc(N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)nc(N(C)C)[nH+]1 ZINC000419002024 389885865 /nfs/dbraw/zinc/88/58/65/389885865.db2.gz LXNUOLZOFAVAFZ-GHMZBOCLSA-N 2 2 294.403 0.137 20 0 CCADLP CC(C)[C@@H](C[NH3+])C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000433157711 389902142 /nfs/dbraw/zinc/90/21/42/389902142.db2.gz HAHZTLSTTITNRQ-NWDGAFQWSA-N 2 2 252.362 0.866 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@H](C)S(=O)(=O)C2)n1C ZINC000657640549 413042382 /nfs/dbraw/zinc/04/23/82/413042382.db2.gz YDXJYFMSKTVGIN-GXSJLCMTSA-N 2 2 271.386 0.784 20 0 CCADLP CCNC(=O)C1(C[NH2+]Cc2c[nH+]c(N(C)C)n2C)CCC1 ZINC000419696558 389906852 /nfs/dbraw/zinc/90/68/52/389906852.db2.gz OVLDXPQUMIHCQI-UHFFFAOYSA-N 2 2 293.415 0.882 20 0 CCADLP CC1(C)CC([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000433282031 389907674 /nfs/dbraw/zinc/90/76/74/389907674.db2.gz LUFUKILRCSAAGX-CYBMUJFWSA-N 2 2 295.427 0.698 20 0 CCADLP CC[C@H]1CN(CC[NH2+]Cc2c[nH+]c(N(C)C)n2C)CCO1 ZINC000419734675 389910216 /nfs/dbraw/zinc/91/02/16/389910216.db2.gz VPCJQWXPKOYFOR-AWEZNQCLSA-N 2 2 295.431 0.687 20 0 CCADLP Cn1cc([C@H](CO)[NH2+]CCC[NH+]2CCCCC2)cn1 ZINC000444640300 389911150 /nfs/dbraw/zinc/91/11/50/389911150.db2.gz RFSMOYNMNWDDST-AWEZNQCLSA-N 2 2 266.389 0.919 20 0 CCADLP CCc1noc([C@@H](C)N2CC[NH+](CCC[NH2+]C)CC2)n1 ZINC000435870633 389964511 /nfs/dbraw/zinc/96/45/11/389964511.db2.gz GWUQVBYEHUBRML-GFCCVEGCSA-N 2 2 281.404 0.920 20 0 CCADLP C[NH2+]CCCN1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000435872548 389964658 /nfs/dbraw/zinc/96/46/58/389964658.db2.gz PIPOXWGVAXDFFE-AWEZNQCLSA-N 2 2 296.459 0.661 20 0 CCADLP C[NH2+]C[C@@H](C)CNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000420195717 389964947 /nfs/dbraw/zinc/96/49/47/389964947.db2.gz KSLBVNLLBBTMSD-OLZOCXBDSA-N 2 2 293.415 0.953 20 0 CCADLP C[NH2+]C[C@@H](C)CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000420195717 389964949 /nfs/dbraw/zinc/96/49/49/389964949.db2.gz KSLBVNLLBBTMSD-OLZOCXBDSA-N 2 2 293.415 0.953 20 0 CCADLP C[C@@H]1C[NH2+]CCN1c1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000420216175 389966850 /nfs/dbraw/zinc/96/68/50/389966850.db2.gz BVJFKPSTBRPWQT-OLZOCXBDSA-N 2 2 291.399 0.483 20 0 CCADLP C[NH2+]CCN(C)c1cc(N2CCSCC2)[nH+]cn1 ZINC000420228649 389968694 /nfs/dbraw/zinc/96/86/94/389968694.db2.gz RZDZEQYAXZMTNE-UHFFFAOYSA-N 2 2 267.402 0.685 20 0 CCADLP [NH3+]CC(F)(F)CNc1cc[nH+]c(N2CCCCC2)n1 ZINC000420238987 389970976 /nfs/dbraw/zinc/97/09/76/389970976.db2.gz LJOIJTUVSJBELA-UHFFFAOYSA-N 2 2 271.315 0.895 20 0 CCADLP CC(C)c1nc(N2CCC[C@@H]([NH3+])C2)nc(N(C)C)[nH+]1 ZINC000420240117 389971001 /nfs/dbraw/zinc/97/10/01/389971001.db2.gz QYGKHCBSKMXMKN-SNVBAGLBSA-N 2 2 264.377 0.989 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]CC2(N3CCOCC3)CC2)[C@@H](C)C1 ZINC000434781770 389945696 /nfs/dbraw/zinc/94/56/96/389945696.db2.gz DHJHFLVJNIPYPS-KBPBESRZSA-N 2 2 267.417 0.781 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]CC2(N3CCOCC3)CC2)[C@@H](C)C1 ZINC000434781770 389945698 /nfs/dbraw/zinc/94/56/98/389945698.db2.gz DHJHFLVJNIPYPS-KBPBESRZSA-N 2 2 267.417 0.781 20 0 CCADLP CC[C@H](F)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000440704857 390042849 /nfs/dbraw/zinc/04/28/49/390042849.db2.gz MXGOKHGKFVXROO-ZDUSSCGKSA-N 2 2 271.380 0.975 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420295814 389979424 /nfs/dbraw/zinc/97/94/24/389979424.db2.gz WCGBGNRBOHEEBC-ORQFMDKSSA-N 3 2 291.439 0.977 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420295814 389979425 /nfs/dbraw/zinc/97/94/25/389979425.db2.gz WCGBGNRBOHEEBC-ORQFMDKSSA-N 3 2 291.439 0.977 20 0 CCADLP Cn1[nH]c(C[N@H+](CCC[NH3+])CC2CCCC2)nc1=O ZINC000420306264 389981487 /nfs/dbraw/zinc/98/14/87/389981487.db2.gz AJUBOGSKFFDXCX-UHFFFAOYSA-N 2 2 267.377 0.449 20 0 CCADLP Cn1[nH]c(C[N@@H+](CCC[NH3+])CC2CCCC2)nc1=O ZINC000420306264 389981488 /nfs/dbraw/zinc/98/14/88/389981488.db2.gz AJUBOGSKFFDXCX-UHFFFAOYSA-N 2 2 267.377 0.449 20 0 CCADLP C[C@H](C(=O)NCc1ccccc1Cl)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420352770 389989605 /nfs/dbraw/zinc/98/96/05/389989605.db2.gz MSSAOSWZRZSXTC-PWSUYJOCSA-N 2 2 299.802 0.596 20 0 CCADLP C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420352770 389989608 /nfs/dbraw/zinc/98/96/08/389989608.db2.gz MSSAOSWZRZSXTC-PWSUYJOCSA-N 2 2 299.802 0.596 20 0 CCADLP Cc1nc(N2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)cc[nH+]1 ZINC000420357540 389990629 /nfs/dbraw/zinc/99/06/29/389990629.db2.gz ICXFDRNKCUJZGZ-CQSZACIVSA-N 3 2 275.400 0.907 20 0 CCADLP CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420361879 389991947 /nfs/dbraw/zinc/99/19/47/389991947.db2.gz YQPNFMPAGUVCHX-RYUDHWBXSA-N 2 2 298.387 0.154 20 0 CCADLP CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420361879 389991949 /nfs/dbraw/zinc/99/19/49/389991949.db2.gz YQPNFMPAGUVCHX-RYUDHWBXSA-N 2 2 298.387 0.154 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)NCc1cccnc1 ZINC000420378858 389994966 /nfs/dbraw/zinc/99/49/66/389994966.db2.gz XHVXBNKDBWVJET-LALPHHSUSA-N 2 2 276.384 0.674 20 0 CCADLP C[NH2+]CCC[N@H+](C)[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000420386849 389995841 /nfs/dbraw/zinc/99/58/41/389995841.db2.gz JDGGRIZBSSUYFL-CYBMUJFWSA-N 2 2 279.388 0.457 20 0 CCADLP C[NH2+]CCC[N@@H+](C)[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000420386849 389995842 /nfs/dbraw/zinc/99/58/42/389995842.db2.gz JDGGRIZBSSUYFL-CYBMUJFWSA-N 2 2 279.388 0.457 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](CCOCC(F)(F)C(F)F)CCCO1 ZINC000420394540 389996865 /nfs/dbraw/zinc/99/68/65/389996865.db2.gz RURXQVPIKZRVOV-VIFPVBQESA-N 2 2 288.285 0.953 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CCOCC(F)(F)C(F)F)CCCO1 ZINC000420394540 389996867 /nfs/dbraw/zinc/99/68/67/389996867.db2.gz RURXQVPIKZRVOV-VIFPVBQESA-N 2 2 288.285 0.953 20 0 CCADLP COC(=O)CN1CCC([NH2+]CC2([NH+](C)C)CCC2)CC1 ZINC000438344444 390005627 /nfs/dbraw/zinc/00/56/27/390005627.db2.gz HWOBGCJRWUTOLR-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@]1(C)CCC(=O)N1 ZINC000453395863 390009895 /nfs/dbraw/zinc/00/98/95/390009895.db2.gz HXWJSVQNVKOKLD-OSMZGAPFSA-N 2 2 251.374 0.727 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@]1(C)CCC(=O)N1 ZINC000453395863 390009897 /nfs/dbraw/zinc/00/98/97/390009897.db2.gz HXWJSVQNVKOKLD-OSMZGAPFSA-N 2 2 251.374 0.727 20 0 CCADLP C[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)[NH+](C)C ZINC000459042104 390068493 /nfs/dbraw/zinc/06/84/93/390068493.db2.gz OMXOJALPKKFXAX-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP CCOC(=O)[C@H]1C[N@H+](CCc2c[nH+]cn2C)CC12COC2 ZINC000459486137 390075542 /nfs/dbraw/zinc/07/55/42/390075542.db2.gz KNCQYXDVUXXIFK-CYBMUJFWSA-N 2 2 293.367 0.474 20 0 CCADLP CCOC(=O)[C@H]1C[N@@H+](CCc2c[nH+]cn2C)CC12COC2 ZINC000459486137 390075543 /nfs/dbraw/zinc/07/55/43/390075543.db2.gz KNCQYXDVUXXIFK-CYBMUJFWSA-N 2 2 293.367 0.474 20 0 CCADLP Cc1nc(NCC[NH2+]C(C)(C)C)nc(N(C)C)[nH+]1 ZINC000488390160 390093553 /nfs/dbraw/zinc/09/35/53/390093553.db2.gz UFSGLWJHODHUQZ-UHFFFAOYSA-N 2 2 252.366 0.468 20 0 CCADLP C[C@H]1C[C@@H]1C[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000488424751 390093745 /nfs/dbraw/zinc/09/37/45/390093745.db2.gz YUJCJLWPCBZUKY-LSDHHAIUSA-N 2 2 269.433 0.622 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000457727036 390049019 /nfs/dbraw/zinc/04/90/19/390049019.db2.gz SDSLKMKYYZKAJC-LBPRGKRZSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC(C)(C)C[NH+](C)C ZINC000457805247 390050094 /nfs/dbraw/zinc/05/00/94/390050094.db2.gz DWEATWDVCBIJTC-NSHDSACASA-N 2 2 267.377 0.911 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000457820667 390050383 /nfs/dbraw/zinc/05/03/83/390050383.db2.gz BKQJGOPETMBGKZ-TXEJJXNPSA-N 2 2 280.372 0.105 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000457820667 390050384 /nfs/dbraw/zinc/05/03/84/390050384.db2.gz BKQJGOPETMBGKZ-TXEJJXNPSA-N 2 2 280.372 0.105 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000647845762 390190987 /nfs/dbraw/zinc/19/09/87/390190987.db2.gz JRGMUQBDIAPXJS-VXGBXAGGSA-N 2 2 274.430 0.870 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000647845762 390190990 /nfs/dbraw/zinc/19/09/90/390190990.db2.gz JRGMUQBDIAPXJS-VXGBXAGGSA-N 2 2 274.430 0.870 20 0 CCADLP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000579511092 390182933 /nfs/dbraw/zinc/18/29/33/390182933.db2.gz MSJZCACSPGRZKW-DGCLKSJQSA-N 2 2 264.373 0.808 20 0 CCADLP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000579511092 390182936 /nfs/dbraw/zinc/18/29/36/390182936.db2.gz MSJZCACSPGRZKW-DGCLKSJQSA-N 2 2 264.373 0.808 20 0 CCADLP C[N@H+](CCN1CC[NH2+]CC1)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000647835103 390185704 /nfs/dbraw/zinc/18/57/04/390185704.db2.gz NBMMVGZMIUBEBK-AWEZNQCLSA-N 2 2 294.374 0.189 20 0 CCADLP C[N@@H+](CCN1CC[NH2+]CC1)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000647835103 390185706 /nfs/dbraw/zinc/18/57/06/390185706.db2.gz NBMMVGZMIUBEBK-AWEZNQCLSA-N 2 2 294.374 0.189 20 0 CCADLP C[NH+](C)CCn1ccc(=NC(=O)C=Cc2c[nH]c[nH+]2)[nH]1 ZINC000493229686 390121321 /nfs/dbraw/zinc/12/13/21/390121321.db2.gz JUXBDVUQHUSZLU-ONEGZZNKSA-N 2 2 274.328 0.242 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000534410090 390128631 /nfs/dbraw/zinc/12/86/31/390128631.db2.gz JVBIFODIZQJYNV-RYUDHWBXSA-N 2 2 262.357 0.688 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000534410090 390128633 /nfs/dbraw/zinc/12/86/33/390128633.db2.gz JVBIFODIZQJYNV-RYUDHWBXSA-N 2 2 262.357 0.688 20 0 CCADLP C[NH+]1CCN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)[C@H](C[NH3+])C1 ZINC000578980909 390130267 /nfs/dbraw/zinc/13/02/67/390130267.db2.gz YHQXQKUWNQZJLG-ZIAGYGMSSA-N 3 2 297.447 0.003 20 0 CCADLP C[NH+]1CCC[C@H](CCNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000578980909 390130274 /nfs/dbraw/zinc/13/02/74/390130274.db2.gz YHQXQKUWNQZJLG-ZIAGYGMSSA-N 3 2 297.447 0.003 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000493866185 390130787 /nfs/dbraw/zinc/13/07/87/390130787.db2.gz BBNKMNUXODZDSU-BYCRGOAPSA-N 2 2 264.329 0.102 20 0 CCADLP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000578994832 390132663 /nfs/dbraw/zinc/13/26/63/390132663.db2.gz ZMRCZWXGDRZIPU-KGLIPLIRSA-N 3 2 257.422 0.621 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000578994832 390132666 /nfs/dbraw/zinc/13/26/66/390132666.db2.gz ZMRCZWXGDRZIPU-KGLIPLIRSA-N 3 2 257.422 0.621 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000578994832 390132668 /nfs/dbraw/zinc/13/26/68/390132668.db2.gz ZMRCZWXGDRZIPU-KGLIPLIRSA-N 3 2 257.422 0.621 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000578994832 390132672 /nfs/dbraw/zinc/13/26/72/390132672.db2.gz ZMRCZWXGDRZIPU-KGLIPLIRSA-N 3 2 257.422 0.621 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)[C@@H](C[NH3+])C1 ZINC000579091486 390139660 /nfs/dbraw/zinc/13/96/60/390139660.db2.gz VLJQTYOFQMKEOU-MROQNXINSA-N 2 2 266.389 0.459 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)[C@H](C[NH3+])C1 ZINC000579091487 390139865 /nfs/dbraw/zinc/13/98/65/390139865.db2.gz VLJQTYOFQMKEOU-NDBYEHHHSA-N 2 2 266.389 0.459 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1nc(C(C)(C)[NH3+])no1 ZINC000579117658 390143511 /nfs/dbraw/zinc/14/35/11/390143511.db2.gz QWHUGYXFTNRQMZ-UHFFFAOYSA-N 3 2 278.360 0.982 20 0 CCADLP CN(CCCn1cc[nH+]c1)Cc1nc(C(C)(C)[NH3+])no1 ZINC000579117658 390143515 /nfs/dbraw/zinc/14/35/15/390143515.db2.gz QWHUGYXFTNRQMZ-UHFFFAOYSA-N 2 2 278.360 0.982 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](CO)c1ccsc1 ZINC000579254197 390157970 /nfs/dbraw/zinc/15/79/70/390157970.db2.gz ALNYMFKSBZQRMC-NEPJUHHUSA-N 2 2 258.387 0.684 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](CO)c1ccsc1 ZINC000579254197 390157971 /nfs/dbraw/zinc/15/79/71/390157971.db2.gz ALNYMFKSBZQRMC-NEPJUHHUSA-N 2 2 258.387 0.684 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536369351 390160494 /nfs/dbraw/zinc/16/04/94/390160494.db2.gz NSPOJTSMLJQHRS-SNVBAGLBSA-N 2 2 291.355 0.541 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)c2csc(CC[NH3+])n2)CCO1 ZINC000579358096 390165994 /nfs/dbraw/zinc/16/59/94/390165994.db2.gz IXULJUVNYHGPRD-JTQLQIEISA-N 2 2 298.412 0.095 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)c2csc(CC[NH3+])n2)CCO1 ZINC000579358096 390165998 /nfs/dbraw/zinc/16/59/98/390165998.db2.gz IXULJUVNYHGPRD-JTQLQIEISA-N 2 2 298.412 0.095 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494348153 390167156 /nfs/dbraw/zinc/16/71/56/390167156.db2.gz HQESXBCVDZASAK-QWHCGFSZSA-N 2 2 267.373 0.997 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494348153 390167158 /nfs/dbraw/zinc/16/71/58/390167158.db2.gz HQESXBCVDZASAK-QWHCGFSZSA-N 2 2 267.373 0.997 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494348153 390167160 /nfs/dbraw/zinc/16/71/60/390167160.db2.gz HQESXBCVDZASAK-QWHCGFSZSA-N 2 2 267.373 0.997 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494348153 390167161 /nfs/dbraw/zinc/16/71/61/390167161.db2.gz HQESXBCVDZASAK-QWHCGFSZSA-N 2 2 267.373 0.997 20 0 CCADLP C[N@H+](CCC[NH3+])CC(=O)NCc1cc(F)cc(F)c1 ZINC000647848585 390191539 /nfs/dbraw/zinc/19/15/39/390191539.db2.gz WKBDYAKMWRCEQJ-UHFFFAOYSA-N 2 2 271.311 0.862 20 0 CCADLP C[N@@H+](CCC[NH3+])CC(=O)NCc1cc(F)cc(F)c1 ZINC000647848585 390191541 /nfs/dbraw/zinc/19/15/41/390191541.db2.gz WKBDYAKMWRCEQJ-UHFFFAOYSA-N 2 2 271.311 0.862 20 0 CCADLP CCO[C@H]1C[C@@H]([NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000579465014 390174552 /nfs/dbraw/zinc/17/45/52/390174552.db2.gz GNAIUCJJUBRHLZ-AIEDFZFUSA-N 2 2 286.416 0.614 20 0 CCADLP CCO[C@H]1C[C@@H]([NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000579465014 390174553 /nfs/dbraw/zinc/17/45/53/390174553.db2.gz GNAIUCJJUBRHLZ-AIEDFZFUSA-N 2 2 286.416 0.614 20 0 CCADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647798300 390174590 /nfs/dbraw/zinc/17/45/90/390174590.db2.gz PBNXICBOVAILOT-CAOSSQGBSA-N 3 2 281.444 0.811 20 0 CCADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647798300 390174593 /nfs/dbraw/zinc/17/45/93/390174593.db2.gz PBNXICBOVAILOT-CAOSSQGBSA-N 3 2 281.444 0.811 20 0 CCADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647798304 390174596 /nfs/dbraw/zinc/17/45/96/390174596.db2.gz PBNXICBOVAILOT-ZJIFWQFVSA-N 3 2 281.444 0.811 20 0 CCADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647798304 390174599 /nfs/dbraw/zinc/17/45/99/390174599.db2.gz PBNXICBOVAILOT-ZJIFWQFVSA-N 3 2 281.444 0.811 20 0 CCADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647798676 390174957 /nfs/dbraw/zinc/17/49/57/390174957.db2.gz VKSLMLJAKMCEEQ-QKPAOTATSA-N 3 2 281.444 0.811 20 0 CCADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647798676 390174961 /nfs/dbraw/zinc/17/49/61/390174961.db2.gz VKSLMLJAKMCEEQ-QKPAOTATSA-N 3 2 281.444 0.811 20 0 CCADLP C[N@H+]1CC=C(CNC(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000537245575 390176060 /nfs/dbraw/zinc/17/60/60/390176060.db2.gz XGPNMISFXDBIMR-UHFFFAOYSA-N 2 2 298.350 0.654 20 0 CCADLP C[N@@H+]1CC=C(CNC(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000537245575 390176064 /nfs/dbraw/zinc/17/60/64/390176064.db2.gz XGPNMISFXDBIMR-UHFFFAOYSA-N 2 2 298.350 0.654 20 0 CCADLP C[NH2+]CC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000281526729 195275113 /nfs/dbraw/zinc/27/51/13/195275113.db2.gz VMRGOBZPSSKHDC-ZDUSSCGKSA-N 2 2 276.315 0.984 20 0 CCADLP O=C(c1cccc(O)c1)N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647883957 390206470 /nfs/dbraw/zinc/20/64/70/390206470.db2.gz NYBHEZLKZCKNOF-ZDUSSCGKSA-N 2 2 289.379 0.760 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCC(=O)Nc1ccccn1 ZINC000539715708 390208857 /nfs/dbraw/zinc/20/88/57/390208857.db2.gz OZVIWNMKTQTYLF-VXGBXAGGSA-N 2 2 262.357 0.950 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCC(=O)Nc1ccccn1 ZINC000539715708 390208862 /nfs/dbraw/zinc/20/88/62/390208862.db2.gz OZVIWNMKTQTYLF-VXGBXAGGSA-N 2 2 262.357 0.950 20 0 CCADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000580074701 390217930 /nfs/dbraw/zinc/21/79/30/390217930.db2.gz ZSXQDVGREIDPNT-NEPJUHHUSA-N 2 2 295.387 0.022 20 0 CCADLP CC1([NH3+])CC[NH+](CC(=O)NCCOc2ccccc2)CC1 ZINC000647926432 390219472 /nfs/dbraw/zinc/21/94/72/390219472.db2.gz CWXQJXCCRZAZDH-UHFFFAOYSA-N 2 2 291.395 0.995 20 0 CCADLP COc1c(O)cccc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000580096323 390221456 /nfs/dbraw/zinc/22/14/56/390221456.db2.gz BJAMUYFCLHAQKX-RYUDHWBXSA-N 2 2 291.351 0.145 20 0 CCADLP COc1c(O)cccc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000580096323 390221459 /nfs/dbraw/zinc/22/14/59/390221459.db2.gz BJAMUYFCLHAQKX-RYUDHWBXSA-N 2 2 291.351 0.145 20 0 CCADLP O=C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NCC1CCC1 ZINC000647956661 390227676 /nfs/dbraw/zinc/22/76/76/390227676.db2.gz TYTBAGWNLDJXLF-HNNXBMFYSA-N 2 2 265.401 0.978 20 0 CCADLP O=C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NCC1CCC1 ZINC000647956661 390227679 /nfs/dbraw/zinc/22/76/79/390227679.db2.gz TYTBAGWNLDJXLF-HNNXBMFYSA-N 2 2 265.401 0.978 20 0 CCADLP C[N@H+](CCC[NH3+])CCN(Cc1ccccc1)S(C)(=O)=O ZINC000647847526 390192163 /nfs/dbraw/zinc/19/21/63/390192163.db2.gz QMSWDULCDMHUGK-UHFFFAOYSA-N 2 2 299.440 0.729 20 0 CCADLP C[N@@H+](CCC[NH3+])CCN(Cc1ccccc1)S(C)(=O)=O ZINC000647847526 390192166 /nfs/dbraw/zinc/19/21/66/390192166.db2.gz QMSWDULCDMHUGK-UHFFFAOYSA-N 2 2 299.440 0.729 20 0 CCADLP C[NH+](C)C(C)(C)CNc1nc[nH+]c2c1OCCN2 ZINC000647847827 390192242 /nfs/dbraw/zinc/19/22/42/390192242.db2.gz RGGFBKURPFISMZ-UHFFFAOYSA-N 2 2 251.334 0.455 20 0 CCADLP CC(=O)Nc1ccc(NC(=O)C[N@H+](C)CCC[NH3+])cc1 ZINC000647850093 390192761 /nfs/dbraw/zinc/19/27/61/390192761.db2.gz ABCIXJAXSOQGOQ-UHFFFAOYSA-N 2 2 278.356 0.864 20 0 CCADLP CC(=O)Nc1ccc(NC(=O)C[N@@H+](C)CCC[NH3+])cc1 ZINC000647850093 390192766 /nfs/dbraw/zinc/19/27/66/390192766.db2.gz ABCIXJAXSOQGOQ-UHFFFAOYSA-N 2 2 278.356 0.864 20 0 CCADLP COc1ccc(NC(=O)C[N@H+](C)CCC[NH3+])c(OC)c1 ZINC000647850094 390192811 /nfs/dbraw/zinc/19/28/11/390192811.db2.gz AOCFJLOVZNDPMD-UHFFFAOYSA-N 2 2 281.356 0.923 20 0 CCADLP COc1ccc(NC(=O)C[N@@H+](C)CCC[NH3+])c(OC)c1 ZINC000647850094 390192814 /nfs/dbraw/zinc/19/28/14/390192814.db2.gz AOCFJLOVZNDPMD-UHFFFAOYSA-N 2 2 281.356 0.923 20 0 CCADLP COc1ccc(NC(=O)C[N@H+](C)CCC[NH3+])cc1OC ZINC000647850129 390193072 /nfs/dbraw/zinc/19/30/72/390193072.db2.gz KLOMCOQBNVGJJI-UHFFFAOYSA-N 2 2 281.356 0.923 20 0 CCADLP COc1ccc(NC(=O)C[N@@H+](C)CCC[NH3+])cc1OC ZINC000647850129 390193079 /nfs/dbraw/zinc/19/30/79/390193079.db2.gz KLOMCOQBNVGJJI-UHFFFAOYSA-N 2 2 281.356 0.923 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC(C2CC2)C2CC2)[C@@H](C[NH3+])C1 ZINC000580292309 390235071 /nfs/dbraw/zinc/23/50/71/390235071.db2.gz BMVCBWDYKQTIRH-LBPRGKRZSA-N 2 2 266.389 0.459 20 0 CCADLP C[N@H+]1CCN(C(=O)NC(C2CC2)C2CC2)[C@@H](C[NH3+])C1 ZINC000580292309 390235076 /nfs/dbraw/zinc/23/50/76/390235076.db2.gz BMVCBWDYKQTIRH-LBPRGKRZSA-N 2 2 266.389 0.459 20 0 CCADLP COC[C@@]1(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC[NH2+]C1 ZINC000580309168 390236495 /nfs/dbraw/zinc/23/64/95/390236495.db2.gz JVRQPPDNWBCVQA-OAHLLOKOSA-N 2 2 292.383 0.742 20 0 CCADLP COC[C@@]1(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC[NH2+]C1 ZINC000580309168 390236498 /nfs/dbraw/zinc/23/64/98/390236498.db2.gz JVRQPPDNWBCVQA-OAHLLOKOSA-N 2 2 292.383 0.742 20 0 CCADLP Cn1ccnc1CN1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647988395 390239971 /nfs/dbraw/zinc/23/99/71/390239971.db2.gz DBGRMTNXSUOHMM-CYBMUJFWSA-N 2 2 263.389 0.147 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CN2CCOCC2)C1 ZINC000647965319 390232431 /nfs/dbraw/zinc/23/24/31/390232431.db2.gz RVCBVXRUKMNKQT-HOTGVXAUSA-N 2 2 299.459 0.342 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CN2CCOCC2)C1 ZINC000647965319 390232434 /nfs/dbraw/zinc/23/24/34/390232434.db2.gz RVCBVXRUKMNKQT-HOTGVXAUSA-N 2 2 299.459 0.342 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000647965319 390232436 /nfs/dbraw/zinc/23/24/36/390232436.db2.gz RVCBVXRUKMNKQT-HOTGVXAUSA-N 2 2 299.459 0.342 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000647965319 390232438 /nfs/dbraw/zinc/23/24/38/390232438.db2.gz RVCBVXRUKMNKQT-HOTGVXAUSA-N 2 2 299.459 0.342 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@]1(CO)COCC2(CCC2)N1C ZINC000527756308 285364557 /nfs/dbraw/zinc/36/45/57/285364557.db2.gz ZJPMVUQSQZIUJE-FMKPAKJESA-N 2 2 297.443 0.142 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@]1(CO)COCC2(CCC2)N1C ZINC000527756308 285364560 /nfs/dbraw/zinc/36/45/60/285364560.db2.gz ZJPMVUQSQZIUJE-FMKPAKJESA-N 2 2 297.443 0.142 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+]CCc2n[nH]c(C)n2)[C@H](C)C1 ZINC000543740271 390291133 /nfs/dbraw/zinc/29/11/33/390291133.db2.gz LRSBNAAAEPRTLE-PWSUYJOCSA-N 2 2 251.378 0.976 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+]CCc2n[nH]c(C)n2)[C@H](C)C1 ZINC000543740271 390291138 /nfs/dbraw/zinc/29/11/38/390291138.db2.gz LRSBNAAAEPRTLE-PWSUYJOCSA-N 2 2 251.378 0.976 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+]CCc2nnc(C)[nH]2)[C@H](C)C1 ZINC000543740271 390291143 /nfs/dbraw/zinc/29/11/43/390291143.db2.gz LRSBNAAAEPRTLE-PWSUYJOCSA-N 2 2 251.378 0.976 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+]CCc2nnc(C)[nH]2)[C@H](C)C1 ZINC000543740271 390291145 /nfs/dbraw/zinc/29/11/45/390291145.db2.gz LRSBNAAAEPRTLE-PWSUYJOCSA-N 2 2 251.378 0.976 20 0 CCADLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)CN1CCOCC1 ZINC000644569494 390255089 /nfs/dbraw/zinc/25/50/89/390255089.db2.gz SWRBNQIKPVDNCN-GJZGRUSLSA-N 2 2 285.432 0.144 20 0 CCADLP C[C@@H](C[NH2+]C[C@@H]1CCCn2cc[nH+]c21)S(C)(=O)=O ZINC000644604303 390264723 /nfs/dbraw/zinc/26/47/23/390264723.db2.gz NUEBTQXNRGCFKY-QWRGUYRKSA-N 2 2 271.386 0.783 20 0 CCADLP COc1nccnc1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648072315 390270313 /nfs/dbraw/zinc/27/03/13/390270313.db2.gz XQBGSBKQMNUVBZ-UHFFFAOYSA-N 2 2 292.383 0.782 20 0 CCADLP COc1nccnc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648072315 390270317 /nfs/dbraw/zinc/27/03/17/390270317.db2.gz XQBGSBKQMNUVBZ-UHFFFAOYSA-N 2 2 292.383 0.782 20 0 CCADLP [NH3+]C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)C1CC1 ZINC000582240063 390271910 /nfs/dbraw/zinc/27/19/10/390271910.db2.gz ONSYUKOJFHAKLK-LLVKDONJSA-N 2 2 272.312 0.129 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H](c2nnc[nH]2)C1)C1CC1 ZINC000583627280 390300525 /nfs/dbraw/zinc/30/05/25/390300525.db2.gz HWIONXOKANMSOX-PWSUYJOCSA-N 2 2 265.361 0.049 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H](c2nnc[nH]2)C1)C1CC1 ZINC000583627280 390300530 /nfs/dbraw/zinc/30/05/30/390300530.db2.gz HWIONXOKANMSOX-PWSUYJOCSA-N 2 2 265.361 0.049 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H](c2nnc[nH]2)C1)C1CC1 ZINC000583627280 390300534 /nfs/dbraw/zinc/30/05/34/390300534.db2.gz HWIONXOKANMSOX-PWSUYJOCSA-N 2 2 265.361 0.049 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H](c2nnc[nH]2)C1)C1CC1 ZINC000583627280 390300536 /nfs/dbraw/zinc/30/05/36/390300536.db2.gz HWIONXOKANMSOX-PWSUYJOCSA-N 2 2 265.361 0.049 20 0 CCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000583631723 390301256 /nfs/dbraw/zinc/30/12/56/390301256.db2.gz ARXGLGGTDKNEID-OLZOCXBDSA-N 2 2 292.383 0.684 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1COC(=O)NC ZINC000496126087 390304579 /nfs/dbraw/zinc/30/45/79/390304579.db2.gz SNOMHERKRTUYSA-OLZOCXBDSA-N 2 2 287.404 0.510 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1COC(=O)NC ZINC000496126087 390304583 /nfs/dbraw/zinc/30/45/83/390304583.db2.gz SNOMHERKRTUYSA-OLZOCXBDSA-N 2 2 287.404 0.510 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1COC(=O)NC ZINC000496126087 390304585 /nfs/dbraw/zinc/30/45/85/390304585.db2.gz SNOMHERKRTUYSA-OLZOCXBDSA-N 2 2 287.404 0.510 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1COC(=O)NC ZINC000496126087 390304589 /nfs/dbraw/zinc/30/45/89/390304589.db2.gz SNOMHERKRTUYSA-OLZOCXBDSA-N 2 2 287.404 0.510 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1cccs1 ZINC000583811320 390314111 /nfs/dbraw/zinc/31/41/11/390314111.db2.gz QIPZDDWJRWCMOO-GHMZBOCLSA-N 2 2 267.398 0.953 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1cccs1 ZINC000583811320 390314114 /nfs/dbraw/zinc/31/41/14/390314114.db2.gz QIPZDDWJRWCMOO-GHMZBOCLSA-N 2 2 267.398 0.953 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)c2ccccc2CC[NH3+])CCO1 ZINC000584001699 390333103 /nfs/dbraw/zinc/33/31/03/390333103.db2.gz UJKVFRAHXKEZOO-ZDUSSCGKSA-N 2 2 291.395 0.638 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)c2ccccc2CC[NH3+])CCO1 ZINC000584001699 390333105 /nfs/dbraw/zinc/33/31/05/390333105.db2.gz UJKVFRAHXKEZOO-ZDUSSCGKSA-N 2 2 291.395 0.638 20 0 CCADLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1)C(=O)CC[NH3+] ZINC000584409043 390341219 /nfs/dbraw/zinc/34/12/19/390341219.db2.gz QMSXWMOFLNTKOC-STQMWFEESA-N 2 2 297.378 0.140 20 0 CCADLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1)C(=O)CC[NH3+] ZINC000584409043 390341225 /nfs/dbraw/zinc/34/12/25/390341225.db2.gz QMSXWMOFLNTKOC-STQMWFEESA-N 2 2 297.378 0.140 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2CC[C@H](CC(N)=O)C2)n1C ZINC000644903758 390343600 /nfs/dbraw/zinc/34/36/00/390343600.db2.gz OILPEIDFQAPESD-SNVBAGLBSA-N 2 2 265.361 0.183 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2CC[C@H](CC(N)=O)C2)n1C ZINC000644903758 390343603 /nfs/dbraw/zinc/34/36/03/390343603.db2.gz OILPEIDFQAPESD-SNVBAGLBSA-N 2 2 265.361 0.183 20 0 CCADLP CSCCCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000584459160 390345613 /nfs/dbraw/zinc/34/56/13/390345613.db2.gz FHJWTMDQOFRDAP-NSHDSACASA-N 2 2 274.434 0.414 20 0 CCADLP C[C@@H](O)CC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000644927992 390347240 /nfs/dbraw/zinc/34/72/40/390347240.db2.gz XXVYYNHBXVJPPN-DGCLKSJQSA-N 2 2 269.389 0.171 20 0 CCADLP C[C@@H](O)CC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000644927992 390347243 /nfs/dbraw/zinc/34/72/43/390347243.db2.gz XXVYYNHBXVJPPN-DGCLKSJQSA-N 2 2 269.389 0.171 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000584477525 390348323 /nfs/dbraw/zinc/34/83/23/390348323.db2.gz KFBPIHQJYAHLSC-QWHCGFSZSA-N 2 2 271.405 0.731 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000584477525 390348326 /nfs/dbraw/zinc/34/83/26/390348326.db2.gz KFBPIHQJYAHLSC-QWHCGFSZSA-N 2 2 271.405 0.731 20 0 CCADLP CC[NH+]1CCC([N@H+](C)C[C@@H]2CN(C)C(=O)O2)CC1 ZINC000496777474 390362027 /nfs/dbraw/zinc/36/20/27/390362027.db2.gz MJABCGBOMRHVGV-GFCCVEGCSA-N 2 2 255.362 0.853 20 0 CCADLP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CN(C)C(=O)O2)CC1 ZINC000496777474 390362030 /nfs/dbraw/zinc/36/20/30/390362030.db2.gz MJABCGBOMRHVGV-GFCCVEGCSA-N 2 2 255.362 0.853 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000547863226 390406003 /nfs/dbraw/zinc/40/60/03/390406003.db2.gz BYJCEAKBGYQFRX-UHFFFAOYSA-N 2 2 292.383 0.286 20 0 CCADLP C[C@@H]1CN(c2nc(N)[nH+]c3c2CCCC3)CC[N@@H+]1CCO ZINC000645215657 390389282 /nfs/dbraw/zinc/38/92/82/390389282.db2.gz BPOOSGTVKOBORE-LLVKDONJSA-N 2 2 291.399 0.271 20 0 CCADLP C[C@@H]1CN(c2nc(N)[nH+]c3c2CCCC3)CC[N@H+]1CCO ZINC000645215657 390389285 /nfs/dbraw/zinc/38/92/85/390389285.db2.gz BPOOSGTVKOBORE-LLVKDONJSA-N 2 2 291.399 0.271 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)c1conc1C(C)(C)[NH3+] ZINC000565314675 390502582 /nfs/dbraw/zinc/50/25/82/390502582.db2.gz PFFNHORKQBMDGI-JTQLQIEISA-N 2 2 296.371 0.319 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)c1conc1C(C)(C)[NH3+] ZINC000565314675 390502587 /nfs/dbraw/zinc/50/25/87/390502587.db2.gz PFFNHORKQBMDGI-JTQLQIEISA-N 2 2 296.371 0.319 20 0 CCADLP COC(=O)[C@](C)(O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000519543152 390507171 /nfs/dbraw/zinc/50/71/71/390507171.db2.gz GDEPWZUFGSYSMY-GXFFZTMASA-N 2 2 267.329 0.133 20 0 CCADLP COC(=O)[C@](C)(O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000519543152 390507173 /nfs/dbraw/zinc/50/71/73/390507173.db2.gz GDEPWZUFGSYSMY-GXFFZTMASA-N 2 2 267.329 0.133 20 0 CCADLP [NH3+]CCOCC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000645567012 390449917 /nfs/dbraw/zinc/44/99/17/390449917.db2.gz XFUYFOWJRXWHPX-UHFFFAOYSA-N 2 2 292.383 0.663 20 0 CCADLP OCC1CCC([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000643471213 390451008 /nfs/dbraw/zinc/45/10/08/390451008.db2.gz DGYGNXDEUSBGLY-RIXNLZLZSA-N 2 2 268.401 0.894 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000643472263 390451566 /nfs/dbraw/zinc/45/15/66/390451566.db2.gz OJCOZULRJABKKD-RBSFLKMASA-N 3 2 294.443 0.271 20 0 CCADLP CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537699 390461289 /nfs/dbraw/zinc/46/12/89/390461289.db2.gz OKSVHCOIIJKCHZ-FIQHERPVSA-N 2 2 278.393 0.632 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000519715073 390534663 /nfs/dbraw/zinc/53/46/63/390534663.db2.gz UHSDBLRRBRYSOT-JTQLQIEISA-N 2 2 274.328 0.248 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@]3(C)CCC[NH2+]3)C2)CC1 ZINC000649334211 390590294 /nfs/dbraw/zinc/59/02/94/390590294.db2.gz SYOFQAALVANZML-BBRMVZONSA-N 3 2 294.443 0.413 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@]3(C)CCC[NH2+]3)C2)CC1 ZINC000649334211 390590296 /nfs/dbraw/zinc/59/02/96/390590296.db2.gz SYOFQAALVANZML-BBRMVZONSA-N 3 2 294.443 0.413 20 0 CCADLP O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@H]1CCC[NH2+]1 ZINC000649333513 390590388 /nfs/dbraw/zinc/59/03/88/390590388.db2.gz ZCZIFXHJENRRRV-BFHYXJOUSA-N 2 2 281.400 0.498 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@]1(C)CCC[NH2+]1)[NH+]1CCOCC1 ZINC000649284892 390549353 /nfs/dbraw/zinc/54/93/53/390549353.db2.gz JFECXEVQAIRDHO-HIFRSBDPSA-N 2 2 283.416 0.602 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CC3(C[NH3+])CC3)C2)CC1 ZINC000645977683 390555513 /nfs/dbraw/zinc/55/55/13/390555513.db2.gz IKZGXLVFIJTIOW-ZDUSSCGKSA-N 3 2 294.443 0.400 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CC3(C[NH3+])CC3)C2)CC1 ZINC000645977683 390555516 /nfs/dbraw/zinc/55/55/16/390555516.db2.gz IKZGXLVFIJTIOW-ZDUSSCGKSA-N 3 2 294.443 0.400 20 0 CCADLP [NH3+]CCCCn1cc(C(=O)Nc2ccc3[nH+]ccn3c2)nn1 ZINC000645975639 390555906 /nfs/dbraw/zinc/55/59/06/390555906.db2.gz LPFWRQMCORJTTA-UHFFFAOYSA-N 2 2 299.338 0.917 20 0 CCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645977556 390556034 /nfs/dbraw/zinc/55/60/34/390556034.db2.gz HJNXGGXPZRXMFJ-GUTXKFCHSA-N 3 2 294.443 0.269 20 0 CCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645977556 390556036 /nfs/dbraw/zinc/55/60/36/390556036.db2.gz HJNXGGXPZRXMFJ-GUTXKFCHSA-N 3 2 294.443 0.269 20 0 CCADLP [NH3+]CCn1nnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000646066463 390591005 /nfs/dbraw/zinc/59/10/05/390591005.db2.gz RPHDCQLJTOBQPY-ZDUSSCGKSA-N 2 2 288.355 0.205 20 0 CCADLP [NH3+]CCn1nnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000646066463 390591009 /nfs/dbraw/zinc/59/10/09/390591009.db2.gz RPHDCQLJTOBQPY-ZDUSSCGKSA-N 2 2 288.355 0.205 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000649299610 390559867 /nfs/dbraw/zinc/55/98/67/390559867.db2.gz CBJQIRBELKJMKN-GFCCVEGCSA-N 2 2 284.363 0.884 20 0 CCADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@@H]2[NH2+]CC2(C)C)no1 ZINC000649304173 390563935 /nfs/dbraw/zinc/56/39/35/390563935.db2.gz LLZGUGXYFNYGTR-JTQLQIEISA-N 2 2 295.387 0.481 20 0 CCADLP CC1(OCC(=O)NCC[NH+]2Cc3ccccc3C2)C[NH2+]C1 ZINC000649306371 390566376 /nfs/dbraw/zinc/56/63/76/390566376.db2.gz NXNYZMLVIGXYNB-UHFFFAOYSA-N 2 2 289.379 0.497 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000646019389 390572415 /nfs/dbraw/zinc/57/24/15/390572415.db2.gz VIDVPGFXHUWIAW-UHFFFAOYSA-N 2 2 288.355 0.735 20 0 CCADLP C[C@@H](NC(=O)N(C)CCC[NH3+])[C@@H](C)[NH+]1CCOCC1 ZINC000566512681 390626217 /nfs/dbraw/zinc/62/62/17/390626217.db2.gz NSIPPXBDPBTNIP-VXGBXAGGSA-N 2 2 272.393 0.086 20 0 CCADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCOCCO)CC1 ZINC000566746138 390644465 /nfs/dbraw/zinc/64/44/65/390644465.db2.gz VHSOOHZMSJFWOV-ZDUSSCGKSA-N 2 2 272.389 0.180 20 0 CCADLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCOCCO)CC1 ZINC000566746138 390644469 /nfs/dbraw/zinc/64/44/69/390644469.db2.gz VHSOOHZMSJFWOV-ZDUSSCGKSA-N 2 2 272.389 0.180 20 0 CCADLP C[NH2+]CCCC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000646265046 390653756 /nfs/dbraw/zinc/65/37/56/390653756.db2.gz KBTFVYHLAFBJIK-LBPRGKRZSA-N 2 2 262.357 0.776 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@@H](F)C2)[C@@H](C[NH3+])C1 ZINC000566854381 390653983 /nfs/dbraw/zinc/65/39/83/390653983.db2.gz LJTXJNXDQYFXJJ-UTUOFQBUSA-N 2 2 257.353 0.616 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2CCC[C@@H](F)C2)[C@@H](C[NH3+])C1 ZINC000566854381 390653985 /nfs/dbraw/zinc/65/39/85/390653985.db2.gz LJTXJNXDQYFXJJ-UTUOFQBUSA-N 2 2 257.353 0.616 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCOC2(CCOCC2)CC1 ZINC000566416446 390598606 /nfs/dbraw/zinc/59/86/06/390598606.db2.gz POIACDCJDUEEQK-CQSZACIVSA-N 2 2 286.416 0.571 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCOC2(CCOCC2)CC1 ZINC000566416446 390598609 /nfs/dbraw/zinc/59/86/09/390598609.db2.gz POIACDCJDUEEQK-CQSZACIVSA-N 2 2 286.416 0.571 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000566416446 390598611 /nfs/dbraw/zinc/59/86/11/390598611.db2.gz POIACDCJDUEEQK-CQSZACIVSA-N 2 2 286.416 0.571 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000566416446 390598612 /nfs/dbraw/zinc/59/86/12/390598612.db2.gz POIACDCJDUEEQK-CQSZACIVSA-N 2 2 286.416 0.571 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)Cc1cccc(O)c1 ZINC000566415200 390598974 /nfs/dbraw/zinc/59/89/74/390598974.db2.gz YGRRFYRSHVLQGT-HNNXBMFYSA-N 2 2 282.384 0.763 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)Cc1cccc(O)c1 ZINC000566415200 390598976 /nfs/dbraw/zinc/59/89/76/390598976.db2.gz YGRRFYRSHVLQGT-HNNXBMFYSA-N 2 2 282.384 0.763 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)Cc1cccc(O)c1 ZINC000566415200 390598980 /nfs/dbraw/zinc/59/89/80/390598980.db2.gz YGRRFYRSHVLQGT-HNNXBMFYSA-N 2 2 282.384 0.763 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)Cc1cccc(O)c1 ZINC000566415200 390598982 /nfs/dbraw/zinc/59/89/82/390598982.db2.gz YGRRFYRSHVLQGT-HNNXBMFYSA-N 2 2 282.384 0.763 20 0 CCADLP Cn1cncc1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104801 390599086 /nfs/dbraw/zinc/59/90/86/390599086.db2.gz NTJRNZASMSFWPM-UHFFFAOYSA-N 2 2 264.373 0.717 20 0 CCADLP Cn1cncc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104801 390599090 /nfs/dbraw/zinc/59/90/90/390599090.db2.gz NTJRNZASMSFWPM-UHFFFAOYSA-N 2 2 264.373 0.717 20 0 CCADLP Cn1c[nH+]cc1CN1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104801 390599092 /nfs/dbraw/zinc/59/90/92/390599092.db2.gz NTJRNZASMSFWPM-UHFFFAOYSA-N 2 2 264.373 0.717 20 0 CCADLP [NH3+][C@@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1cscn1 ZINC000521231400 390600780 /nfs/dbraw/zinc/60/07/80/390600780.db2.gz JEBQRXUBVRWNRP-MWLCHTKSSA-N 2 2 266.370 0.450 20 0 CCADLP [NH3+][C@@H](C(=O)N1CC[N@H+]2CCC[C@@H]2C1)c1cscn1 ZINC000521231400 390600784 /nfs/dbraw/zinc/60/07/84/390600784.db2.gz JEBQRXUBVRWNRP-MWLCHTKSSA-N 2 2 266.370 0.450 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000649347984 390601428 /nfs/dbraw/zinc/60/14/28/390601428.db2.gz WKABGODVJFQUPY-MRVPVSSYSA-N 2 2 258.272 0.579 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000646119059 390606716 /nfs/dbraw/zinc/60/67/16/390606716.db2.gz FRXKZSSYVQTJEA-CQSZACIVSA-N 2 2 291.399 0.169 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000646119059 390606717 /nfs/dbraw/zinc/60/67/17/390606717.db2.gz FRXKZSSYVQTJEA-CQSZACIVSA-N 2 2 291.399 0.169 20 0 CCADLP C[C@H](C(=O)N1CCC[C@H]1C[NH+]1CCOCC1)[NH+]1CC(C)C1 ZINC000566444591 390608526 /nfs/dbraw/zinc/60/85/26/390608526.db2.gz IQZGPZMUTHFOLR-CABCVRRESA-N 2 2 295.427 0.650 20 0 CCADLP CC(C)[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1 ZINC000643960344 390608870 /nfs/dbraw/zinc/60/88/70/390608870.db2.gz TUJJXEHAGVYPLR-RFQIPJPRSA-N 2 2 256.390 0.581 20 0 CCADLP CC(C)[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1 ZINC000643960344 390608873 /nfs/dbraw/zinc/60/88/73/390608873.db2.gz TUJJXEHAGVYPLR-RFQIPJPRSA-N 2 2 256.390 0.581 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1)C(F)(F)F ZINC000643961166 390608909 /nfs/dbraw/zinc/60/89/09/390608909.db2.gz RBBCKGJMPXLDMH-ZRUFSTJUSA-N 2 2 282.306 0.487 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1)C(F)(F)F ZINC000643961166 390608911 /nfs/dbraw/zinc/60/89/11/390608911.db2.gz RBBCKGJMPXLDMH-ZRUFSTJUSA-N 2 2 282.306 0.487 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000566461706 390614502 /nfs/dbraw/zinc/61/45/02/390614502.db2.gz MZDOEVWRISCKQV-TZMCWYRMSA-N 2 2 294.399 0.551 20 0 CCADLP COCC[NH2+]CC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000567585033 390705075 /nfs/dbraw/zinc/70/50/75/390705075.db2.gz KZEMLDNZIKSDOX-NSHDSACASA-N 2 2 266.345 0.699 20 0 CCADLP O=C(NCC[NH2+]C1CC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000646685968 390709031 /nfs/dbraw/zinc/70/90/31/390709031.db2.gz FDDKTZSYSNQUHL-UHFFFAOYSA-N 2 2 271.324 0.749 20 0 CCADLP CNS(=O)(=O)CCC[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000571389135 390733264 /nfs/dbraw/zinc/73/32/64/390733264.db2.gz CRBCNTVMWVFFGP-OLZOCXBDSA-N 2 2 289.445 0.532 20 0 CCADLP CNS(=O)(=O)CCC[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000571389135 390733266 /nfs/dbraw/zinc/73/32/66/390733266.db2.gz CRBCNTVMWVFFGP-OLZOCXBDSA-N 2 2 289.445 0.532 20 0 CCADLP C[C@H](C[NH3+])N(C)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000646752370 390716364 /nfs/dbraw/zinc/71/63/64/390716364.db2.gz XTMFBCHVDAFYNM-SECBINFHSA-N 2 2 263.332 0.769 20 0 CCADLP CCc1cccc(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000570925398 390724399 /nfs/dbraw/zinc/72/43/99/390724399.db2.gz WUHZFUAJCPCWHG-OAHLLOKOSA-N 2 2 275.396 0.893 20 0 CCADLP CCc1cccc(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000570925398 390724401 /nfs/dbraw/zinc/72/44/01/390724401.db2.gz WUHZFUAJCPCWHG-OAHLLOKOSA-N 2 2 275.396 0.893 20 0 CCADLP Cc1ncncc1[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000566983881 390664468 /nfs/dbraw/zinc/66/44/68/390664468.db2.gz STOXILDHYHFGMW-GXFFZTMASA-N 2 2 250.346 0.502 20 0 CCADLP Cc1ncncc1[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000566983881 390664471 /nfs/dbraw/zinc/66/44/71/390664471.db2.gz STOXILDHYHFGMW-GXFFZTMASA-N 2 2 250.346 0.502 20 0 CCADLP COC[C@@H](C)C[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000525863522 390666681 /nfs/dbraw/zinc/66/66/81/390666681.db2.gz NXIGVVVZUITBCS-STQMWFEESA-N 2 2 294.399 0.783 20 0 CCADLP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2cscn2)C[C@H]1C[NH3+] ZINC000571324733 390731112 /nfs/dbraw/zinc/73/11/12/390731112.db2.gz GPWCCFPYGFDXHF-KKZNHRDASA-N 2 2 268.386 0.586 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CCO1 ZINC000567169554 390676875 /nfs/dbraw/zinc/67/68/75/390676875.db2.gz VFFIQLDOHWCBEU-UMVBOHGHSA-N 2 2 281.400 0.213 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CCO1 ZINC000567169554 390676876 /nfs/dbraw/zinc/67/68/76/390676876.db2.gz VFFIQLDOHWCBEU-UMVBOHGHSA-N 2 2 281.400 0.213 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000567246811 390682864 /nfs/dbraw/zinc/68/28/64/390682864.db2.gz WHARXICELAJLKW-KBPBESRZSA-N 2 2 299.459 0.926 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000567246811 390682867 /nfs/dbraw/zinc/68/28/67/390682867.db2.gz WHARXICELAJLKW-KBPBESRZSA-N 2 2 299.459 0.926 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000567246811 390682870 /nfs/dbraw/zinc/68/28/70/390682870.db2.gz WHARXICELAJLKW-KBPBESRZSA-N 2 2 299.459 0.926 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000567246811 390682873 /nfs/dbraw/zinc/68/28/73/390682873.db2.gz WHARXICELAJLKW-KBPBESRZSA-N 2 2 299.459 0.926 20 0 CCADLP O=C(NCC[N@@H+]1CCCOCC1)[C@@H]1CC[NH2+]CC1(F)F ZINC000646503282 390688861 /nfs/dbraw/zinc/68/88/61/390688861.db2.gz ADMLPVPPVMNYTO-NSHDSACASA-N 2 2 291.342 0.070 20 0 CCADLP O=C(NCC[N@H+]1CCCOCC1)[C@@H]1CC[NH2+]CC1(F)F ZINC000646503282 390688862 /nfs/dbraw/zinc/68/88/62/390688862.db2.gz ADMLPVPPVMNYTO-NSHDSACASA-N 2 2 291.342 0.070 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000567402453 390697701 /nfs/dbraw/zinc/69/77/01/390697701.db2.gz VDXLCBVOSCRSTL-KKUMJFAQSA-N 3 2 271.449 0.961 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000567402453 390697703 /nfs/dbraw/zinc/69/77/03/390697703.db2.gz VDXLCBVOSCRSTL-KKUMJFAQSA-N 3 2 271.449 0.961 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2[C@H]2CCCO2)n1C ZINC000567488121 390701319 /nfs/dbraw/zinc/70/13/19/390701319.db2.gz GYVQCTPBLMEFTH-UMVBOHGHSA-N 2 2 292.383 0.644 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000571894563 390758119 /nfs/dbraw/zinc/75/81/19/390758119.db2.gz GUDRYWDEXIFMEJ-LLVKDONJSA-N 2 2 262.357 0.895 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000571894563 390758123 /nfs/dbraw/zinc/75/81/23/390758123.db2.gz GUDRYWDEXIFMEJ-LLVKDONJSA-N 2 2 262.357 0.895 20 0 CCADLP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]([NH3+])c1cscn1 ZINC000572247125 390774720 /nfs/dbraw/zinc/77/47/20/390774720.db2.gz VEICTTGKDQJDFD-GFCCVEGCSA-N 2 2 282.413 0.943 20 0 CCADLP CC(C)[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CCO1 ZINC000572262237 390775723 /nfs/dbraw/zinc/77/57/23/390775723.db2.gz CUZSGYNXQBHYQD-MCIONIFRSA-N 2 2 298.431 0.474 20 0 CCADLP Cn1c[nH+]cc1CCC[NH+]1CCN(c2cnccn2)CC1 ZINC000572375797 390780548 /nfs/dbraw/zinc/78/05/48/390780548.db2.gz XHARZIIWUGJISN-UHFFFAOYSA-N 2 2 286.383 0.965 20 0 CCADLP [NH3+]Cc1noc(C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000647160269 390781209 /nfs/dbraw/zinc/78/12/09/390781209.db2.gz PRZSCKOPAZEUDV-CYBMUJFWSA-N 2 2 288.351 0.972 20 0 CCADLP [NH3+]Cc1noc(C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000647160269 390781211 /nfs/dbraw/zinc/78/12/11/390781211.db2.gz PRZSCKOPAZEUDV-CYBMUJFWSA-N 2 2 288.351 0.972 20 0 CCADLP C[C@@H](C[NH2+]C1CCC2(CC1)NC(=O)NC2=O)[NH+](C)C ZINC000647288034 390808366 /nfs/dbraw/zinc/80/83/66/390808366.db2.gz DTGQXYBIOWAAPC-JBLZRFIASA-N 2 2 268.361 0.047 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C)[C@@H]1CO ZINC000572493809 390786405 /nfs/dbraw/zinc/78/64/05/390786405.db2.gz AVWXLPQJOHEALE-RDBSUJKOSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C)[C@@H]1CO ZINC000572493809 390786408 /nfs/dbraw/zinc/78/64/08/390786408.db2.gz AVWXLPQJOHEALE-RDBSUJKOSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CO ZINC000572493809 390786410 /nfs/dbraw/zinc/78/64/10/390786410.db2.gz AVWXLPQJOHEALE-RDBSUJKOSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](C)[C@@H]1CO ZINC000572493809 390786413 /nfs/dbraw/zinc/78/64/13/390786413.db2.gz AVWXLPQJOHEALE-RDBSUJKOSA-N 2 2 274.405 0.018 20 0 CCADLP COc1ncncc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000647211917 390790184 /nfs/dbraw/zinc/79/01/84/390790184.db2.gz MJTONYXZOGTYPP-SNVBAGLBSA-N 2 2 259.313 0.855 20 0 CCADLP COc1ncncc1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000647211917 390790186 /nfs/dbraw/zinc/79/01/86/390790186.db2.gz MJTONYXZOGTYPP-SNVBAGLBSA-N 2 2 259.313 0.855 20 0 CCADLP O=C(N[C@@H]1CC[NH2+]C12CCC2)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000529323209 390807813 /nfs/dbraw/zinc/80/78/13/390807813.db2.gz DIIALXSWXJBJFZ-ZWNOBZJWSA-N 2 2 289.383 0.851 20 0 CCADLP O=C(N[C@@H]1CC[NH2+]C12CCC2)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000529323209 390807816 /nfs/dbraw/zinc/80/78/16/390807816.db2.gz DIIALXSWXJBJFZ-ZWNOBZJWSA-N 2 2 289.383 0.851 20 0 CCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCc1[nH+]ccn1C ZINC000529300254 390802732 /nfs/dbraw/zinc/80/27/32/390802732.db2.gz AWJIATXGPRCAAK-LLVKDONJSA-N 2 2 265.361 0.560 20 0 CCADLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC000571485460 390737830 /nfs/dbraw/zinc/73/78/30/390737830.db2.gz BSQWJPLLEPUYDX-RYUDHWBXSA-N 2 2 274.368 0.798 20 0 CCADLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC000571485460 390737831 /nfs/dbraw/zinc/73/78/31/390737831.db2.gz BSQWJPLLEPUYDX-RYUDHWBXSA-N 2 2 274.368 0.798 20 0 CCADLP CC1(C)CC[N@H+](CC(=O)NCCn2cc[nH+]c2)C1 ZINC000578081344 390863468 /nfs/dbraw/zinc/86/34/68/390863468.db2.gz SKMBWQSVBJFFKZ-UHFFFAOYSA-N 2 2 250.346 0.731 20 0 CCADLP CC1(C)CC[N@@H+](CC(=O)NCCn2cc[nH+]c2)C1 ZINC000578081344 390863471 /nfs/dbraw/zinc/86/34/71/390863471.db2.gz SKMBWQSVBJFFKZ-UHFFFAOYSA-N 2 2 250.346 0.731 20 0 CCADLP C[C@H](C[NH2+]CCC(N)=O)[N@@H+]1CCc2ccccc2C1 ZINC000578390595 390881688 /nfs/dbraw/zinc/88/16/88/390881688.db2.gz LGFYEEMDMUCIFQ-GFCCVEGCSA-N 2 2 261.369 0.898 20 0 CCADLP C[C@H](C[NH2+]CCC(N)=O)[N@H+]1CCc2ccccc2C1 ZINC000578390595 390881690 /nfs/dbraw/zinc/88/16/90/390881690.db2.gz LGFYEEMDMUCIFQ-GFCCVEGCSA-N 2 2 261.369 0.898 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]2CC23CC3)C[C@H](C)O1 ZINC000572953341 390813251 /nfs/dbraw/zinc/81/32/51/390813251.db2.gz GHHOJSWERWLXHJ-RFQIPJPRSA-N 2 2 268.401 0.846 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@@H]2CC23CC3)C[C@H](C)O1 ZINC000572953341 390813252 /nfs/dbraw/zinc/81/32/52/390813252.db2.gz GHHOJSWERWLXHJ-RFQIPJPRSA-N 2 2 268.401 0.846 20 0 CCADLP C[C@@H]1CCC[N@H+](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC000573054107 390819904 /nfs/dbraw/zinc/81/99/04/390819904.db2.gz PSGWWOCIVBUOCZ-GFCCVEGCSA-N 2 2 250.346 0.731 20 0 CCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC000573054107 390819908 /nfs/dbraw/zinc/81/99/08/390819908.db2.gz PSGWWOCIVBUOCZ-GFCCVEGCSA-N 2 2 250.346 0.731 20 0 CCADLP COC[C@H](C)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000647519137 390830257 /nfs/dbraw/zinc/83/02/57/390830257.db2.gz KRTMJTNHEQFWEP-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP COC[C@H](C)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000647519137 390830259 /nfs/dbraw/zinc/83/02/59/390830259.db2.gz KRTMJTNHEQFWEP-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP COC(=O)COC[C@H](C)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000575130436 390832850 /nfs/dbraw/zinc/83/28/50/390832850.db2.gz CNWVFBXOYNRTKR-RYUDHWBXSA-N 2 2 258.362 0.496 20 0 CCADLP COC(=O)COC[C@H](C)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000575130436 390832857 /nfs/dbraw/zinc/83/28/57/390832857.db2.gz CNWVFBXOYNRTKR-RYUDHWBXSA-N 2 2 258.362 0.496 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCC2(CO)CC2)C[C@@H](C)O1 ZINC000647530321 390834556 /nfs/dbraw/zinc/83/45/56/390834556.db2.gz SDILYCGOGFLPSH-MGPQQGTHSA-N 2 2 286.416 0.209 20 0 CCADLP CC[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000575320973 390837250 /nfs/dbraw/zinc/83/72/50/390837250.db2.gz PCMAPRSOJFFLBX-WOPDTQHZSA-N 2 2 275.418 0.141 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000578519577 390888744 /nfs/dbraw/zinc/88/87/44/390888744.db2.gz AIHFJVIDTFDJOF-KFWWJZLASA-N 2 2 285.432 0.094 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000578519577 390888747 /nfs/dbraw/zinc/88/87/47/390888747.db2.gz AIHFJVIDTFDJOF-KFWWJZLASA-N 2 2 285.432 0.094 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000578519577 390888750 /nfs/dbraw/zinc/88/87/50/390888750.db2.gz AIHFJVIDTFDJOF-KFWWJZLASA-N 2 2 285.432 0.094 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000578519577 390888753 /nfs/dbraw/zinc/88/87/53/390888753.db2.gz AIHFJVIDTFDJOF-KFWWJZLASA-N 2 2 285.432 0.094 20 0 CCADLP CC[N@H+](C)C[C@H](O)CN1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000578519577 390888755 /nfs/dbraw/zinc/88/87/55/390888755.db2.gz AIHFJVIDTFDJOF-KFWWJZLASA-N 2 2 285.432 0.094 20 0 CCADLP CC[N@@H+](C)C[C@H](O)CN1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000578519577 390888757 /nfs/dbraw/zinc/88/87/57/390888757.db2.gz AIHFJVIDTFDJOF-KFWWJZLASA-N 2 2 285.432 0.094 20 0 CCADLP C[NH+](C)CCNC(=O)NCCCCn1cc[nH+]c1 ZINC000534212491 390889252 /nfs/dbraw/zinc/88/92/52/390889252.db2.gz LEIPHUBTTAIQEO-UHFFFAOYSA-N 2 2 253.350 0.524 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CCS(=O)(=O)N(C)C)C[C@H]1C ZINC000336808762 285395981 /nfs/dbraw/zinc/39/59/81/285395981.db2.gz CTUPTXDBGCYCRV-OLZOCXBDSA-N 2 2 291.461 0.682 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CCS(=O)(=O)N(C)C)C[C@H]1C ZINC000336808762 285395982 /nfs/dbraw/zinc/39/59/82/285395982.db2.gz CTUPTXDBGCYCRV-OLZOCXBDSA-N 2 2 291.461 0.682 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CCS(=O)(=O)N(C)C)C[C@H]1C ZINC000336808762 285395983 /nfs/dbraw/zinc/39/59/83/285395983.db2.gz CTUPTXDBGCYCRV-OLZOCXBDSA-N 2 2 291.461 0.682 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CCS(=O)(=O)N(C)C)C[C@H]1C ZINC000336808762 285395985 /nfs/dbraw/zinc/39/59/85/285395985.db2.gz CTUPTXDBGCYCRV-OLZOCXBDSA-N 2 2 291.461 0.682 20 0 CCADLP Cc1[nH+]cc(C[NH2+]C[C@H](O)COCC2CC2)n1C ZINC000578907281 390907360 /nfs/dbraw/zinc/90/73/60/390907360.db2.gz YNXNLTYAZXZKSL-ZDUSSCGKSA-N 2 2 253.346 0.606 20 0 CCADLP COC(=O)C1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424288571 533287104 /nfs/dbraw/zinc/28/71/04/533287104.db2.gz KQSOXGWESTYCCQ-CHWSQXEVSA-N 2 2 297.399 0.258 20 0 CCADLP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424191987 533333637 /nfs/dbraw/zinc/33/36/37/533333637.db2.gz OIMYJOXGHGLVES-RKDXNWHRSA-N 2 2 261.316 0.488 20 0 CCADLP COC(=O)CC1CC([NH2+][C@@H]2CCC[N@H+](CCCO)C2)C1 ZINC000424355088 533328807 /nfs/dbraw/zinc/32/88/07/533328807.db2.gz SXGAWGKONXAZLZ-ROKHWSDSSA-N 2 2 284.400 0.765 20 0 CCADLP COC(=O)CC1CC([NH2+][C@@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000424355088 533328812 /nfs/dbraw/zinc/32/88/12/533328812.db2.gz SXGAWGKONXAZLZ-ROKHWSDSSA-N 2 2 284.400 0.765 20 0 CCADLP COC(=O)COC[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000449196419 533552025 /nfs/dbraw/zinc/55/20/25/533552025.db2.gz SBZLWSSCKPOGHZ-MDZLAQPJSA-N 2 2 270.373 0.637 20 0 CCADLP COC(=O)COC[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000449196419 533552027 /nfs/dbraw/zinc/55/20/27/533552027.db2.gz SBZLWSSCKPOGHZ-MDZLAQPJSA-N 2 2 270.373 0.637 20 0 CCADLP C[C@H]1CCN(C(=O)NCCn2cc[nH+]c2)[C@@H](C[NH3+])C1 ZINC000416841451 533610386 /nfs/dbraw/zinc/61/03/86/533610386.db2.gz HGHVBVNZDSFYFJ-NWDGAFQWSA-N 2 2 265.361 0.652 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000333844439 533665827 /nfs/dbraw/zinc/66/58/27/533665827.db2.gz OXQPGAIMKUENPJ-JQWIXIFHSA-N 2 2 263.345 0.406 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n(C)n1 ZINC000342116809 130274867 /nfs/dbraw/zinc/27/48/67/130274867.db2.gz YTJHWQZAZHLXRN-YNEHKIRRSA-N 2 2 291.399 0.726 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n(C)n1 ZINC000342116809 130274871 /nfs/dbraw/zinc/27/48/71/130274871.db2.gz YTJHWQZAZHLXRN-YNEHKIRRSA-N 2 2 291.399 0.726 20 0 CCADLP [NH3+]C1(C[NH2+]CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CCC1 ZINC000342125527 130282178 /nfs/dbraw/zinc/28/21/78/130282178.db2.gz JDOQOGJVKKNDSQ-CHWSQXEVSA-N 2 2 281.400 0.627 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)[C@H]3C[NH2+]CCO3)cn2c1 ZINC000269255166 132143007 /nfs/dbraw/zinc/14/30/07/132143007.db2.gz RRPKIBNSJHKRRM-GFCCVEGCSA-N 2 2 274.324 0.247 20 0 CCADLP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)[C@@H]1COCC[NH2+]1 ZINC000269253288 132143021 /nfs/dbraw/zinc/14/30/21/132143021.db2.gz IKNMFXRCWHGDSK-NSHDSACASA-N 2 2 273.296 0.194 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)[C@@H]3C[NH2+]CCO3)cn2c1 ZINC000269255168 132143508 /nfs/dbraw/zinc/14/35/08/132143508.db2.gz RRPKIBNSJHKRRM-LBPRGKRZSA-N 2 2 274.324 0.247 20 0 CCADLP CC1(C)C[C@H]([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)CO1 ZINC000657884442 413073179 /nfs/dbraw/zinc/07/31/79/413073179.db2.gz UHTRHJCJQQKLIZ-GJZGRUSLSA-N 2 2 297.443 0.550 20 0 CCADLP C[C@](C[NH3+])([NH2+]Cc1coc(S(C)(=O)=O)c1)C1CC1 ZINC000530213728 285571422 /nfs/dbraw/zinc/57/14/22/285571422.db2.gz VSWFZRFFCWOHLZ-GFCCVEGCSA-N 2 2 272.370 0.900 20 0 CCADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000423394419 285622589 /nfs/dbraw/zinc/62/25/89/285622589.db2.gz ZPVOQEIVADJZFE-GHMZBOCLSA-N 2 2 285.413 0.983 20 0 CCADLP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)N1CCOCC1 ZINC000037917643 397389993 /nfs/dbraw/zinc/38/99/93/397389993.db2.gz OSWLBZQMYSXBFU-KBPBESRZSA-N 2 2 281.400 0.309 20 0 CCADLP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)N1CCOCC1 ZINC000037917643 397389996 /nfs/dbraw/zinc/38/99/96/397389996.db2.gz OSWLBZQMYSXBFU-KBPBESRZSA-N 2 2 281.400 0.309 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)NCC1CC1 ZINC000037917651 397390456 /nfs/dbraw/zinc/39/04/56/397390456.db2.gz LLDLWPPVMGINIF-KGLIPLIRSA-N 2 2 265.401 0.977 20 0 CCADLP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)NCC1CC1 ZINC000037917651 397390461 /nfs/dbraw/zinc/39/04/61/397390461.db2.gz LLDLWPPVMGINIF-KGLIPLIRSA-N 2 2 265.401 0.977 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NC1CC1 ZINC000037918062 397391778 /nfs/dbraw/zinc/39/17/78/397391778.db2.gz SQZMVEZDSVHYMY-DGCLKSJQSA-N 2 2 251.374 0.729 20 0 CCADLP O=C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NC1CC1 ZINC000037918062 397391781 /nfs/dbraw/zinc/39/17/81/397391781.db2.gz SQZMVEZDSVHYMY-DGCLKSJQSA-N 2 2 251.374 0.729 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357088860 144059180 /nfs/dbraw/zinc/05/91/80/144059180.db2.gz TXPNINJGNSMLSF-RWMBFGLXSA-N 2 2 296.415 0.398 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357088860 144059181 /nfs/dbraw/zinc/05/91/81/144059181.db2.gz TXPNINJGNSMLSF-RWMBFGLXSA-N 2 2 296.415 0.398 20 0 CCADLP [NH3+]CCOCC[NH+]1CCN(C(=O)NC2CCCCC2)CC1 ZINC000357102998 144060839 /nfs/dbraw/zinc/06/08/39/144060839.db2.gz JTFKMHBROTWEQJ-UHFFFAOYSA-N 2 2 298.431 0.622 20 0 CCADLP C[C@@H](C[NH3+])C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000357242505 144072597 /nfs/dbraw/zinc/07/25/97/144072597.db2.gz OYZRNMPSPMBLIW-QWHCGFSZSA-N 2 2 269.389 0.295 20 0 CCADLP C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)[NH+]1CCOCC1 ZINC000357299795 144080310 /nfs/dbraw/zinc/08/03/10/144080310.db2.gz OJMYHRDENYCLSI-MGPQQGTHSA-N 2 2 283.416 0.506 20 0 CCADLP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1CCOCC1 ZINC000357299795 144080311 /nfs/dbraw/zinc/08/03/11/144080311.db2.gz OJMYHRDENYCLSI-MGPQQGTHSA-N 2 2 283.416 0.506 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](CCC(=O)NC2CCCC2)CCO1 ZINC000358119921 144153857 /nfs/dbraw/zinc/15/38/57/144153857.db2.gz DRGYFBTYSHGQMI-LBPRGKRZSA-N 2 2 255.362 0.095 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CCC(=O)NC2CCCC2)CCO1 ZINC000358119921 144153858 /nfs/dbraw/zinc/15/38/58/144153858.db2.gz DRGYFBTYSHGQMI-LBPRGKRZSA-N 2 2 255.362 0.095 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[NH+](C)[C@@H](C)C2)C1 ZINC000358693535 144173218 /nfs/dbraw/zinc/17/32/18/144173218.db2.gz ZEBWBTIHKQFXGF-XQQFMLRXSA-N 2 2 269.389 0.258 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[NH+](C)[C@@H](C)C2)C1 ZINC000358693535 144173219 /nfs/dbraw/zinc/17/32/19/144173219.db2.gz ZEBWBTIHKQFXGF-XQQFMLRXSA-N 2 2 269.389 0.258 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)C1 ZINC000358693535 144173220 /nfs/dbraw/zinc/17/32/20/144173220.db2.gz ZEBWBTIHKQFXGF-XQQFMLRXSA-N 2 2 269.389 0.258 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)C1 ZINC000358693535 144173221 /nfs/dbraw/zinc/17/32/21/144173221.db2.gz ZEBWBTIHKQFXGF-XQQFMLRXSA-N 2 2 269.389 0.258 20 0 CCADLP [NH3+]C[C@H](C(=O)NCC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000358865346 144183905 /nfs/dbraw/zinc/18/39/05/144183905.db2.gz ZTYJWOBTRHHIEA-AWEZNQCLSA-N 2 2 295.358 0.316 20 0 CCADLP COc1ccnc(C[N@H+](C)C2CC[NH+](CCO)CC2)c1 ZINC000359142622 144196595 /nfs/dbraw/zinc/19/65/95/144196595.db2.gz MILCLDOLOSFFFQ-UHFFFAOYSA-N 2 2 279.384 0.979 20 0 CCADLP COc1ccnc(C[N@@H+](C)C2CC[NH+](CCO)CC2)c1 ZINC000359142622 144196596 /nfs/dbraw/zinc/19/65/96/144196596.db2.gz MILCLDOLOSFFFQ-UHFFFAOYSA-N 2 2 279.384 0.979 20 0 CCADLP Cc1nc([C@@H]2C[N@H+](CCC3CC[NH2+]CC3)CCO2)n[nH]1 ZINC000359215062 144202696 /nfs/dbraw/zinc/20/26/96/144202696.db2.gz PWDGSOMNJOGHTF-ZDUSSCGKSA-N 2 2 279.388 0.876 20 0 CCADLP Cc1nc([C@@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCO2)n[nH]1 ZINC000359215062 144202697 /nfs/dbraw/zinc/20/26/97/144202697.db2.gz PWDGSOMNJOGHTF-ZDUSSCGKSA-N 2 2 279.388 0.876 20 0 CCADLP CCC[N@H+](C)CC(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000359253521 144206633 /nfs/dbraw/zinc/20/66/33/144206633.db2.gz QVSMKSTYTSFNKC-UHFFFAOYSA-N 2 2 297.403 0.824 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000359253521 144206635 /nfs/dbraw/zinc/20/66/35/144206635.db2.gz QVSMKSTYTSFNKC-UHFFFAOYSA-N 2 2 297.403 0.824 20 0 CCADLP CCC(=O)CCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685081 397655137 /nfs/dbraw/zinc/65/51/37/397655137.db2.gz NJMVRLBVHJNRCZ-UHFFFAOYSA-N 2 2 269.389 0.452 20 0 CCADLP CCC(=O)CCC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685081 397655139 /nfs/dbraw/zinc/65/51/39/397655139.db2.gz NJMVRLBVHJNRCZ-UHFFFAOYSA-N 2 2 269.389 0.452 20 0 CCADLP O=C(C[NH+]1CCN(C[C@H]2CC[NH2+]C2)CC1)N1CCCCC1 ZINC000649411438 397605918 /nfs/dbraw/zinc/60/59/18/397605918.db2.gz YCUXJQJTHDRNCD-HNNXBMFYSA-N 2 2 294.443 0.226 20 0 CCADLP O=C(CN1CC[NH+](C[C@H]2CC[NH2+]C2)CC1)N1CCCCC1 ZINC000649411438 397605921 /nfs/dbraw/zinc/60/59/21/397605921.db2.gz YCUXJQJTHDRNCD-HNNXBMFYSA-N 2 2 294.443 0.226 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)Nc2ccncc2)CC[C@H]1[NH3+] ZINC000649416971 397609318 /nfs/dbraw/zinc/60/93/18/397609318.db2.gz SNRFNVORWBPJQK-DGCLKSJQSA-N 2 2 262.357 0.501 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)Nc2ccncc2)CC[C@H]1[NH3+] ZINC000649416971 397609319 /nfs/dbraw/zinc/60/93/19/397609319.db2.gz SNRFNVORWBPJQK-DGCLKSJQSA-N 2 2 262.357 0.501 20 0 CCADLP CC(C)CCOCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649688283 397656820 /nfs/dbraw/zinc/65/68/20/397656820.db2.gz YQJHTDNMZHLETA-UHFFFAOYSA-N 2 2 285.432 0.755 20 0 CCADLP CC(C)CCOCC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649688283 397656823 /nfs/dbraw/zinc/65/68/23/397656823.db2.gz YQJHTDNMZHLETA-UHFFFAOYSA-N 2 2 285.432 0.755 20 0 CCADLP CCCCOCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649687867 397656886 /nfs/dbraw/zinc/65/68/86/397656886.db2.gz IQCWUGHFVJLPRB-UHFFFAOYSA-N 2 2 271.405 0.509 20 0 CCADLP CCCCOCC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649687867 397656890 /nfs/dbraw/zinc/65/68/90/397656890.db2.gz IQCWUGHFVJLPRB-UHFFFAOYSA-N 2 2 271.405 0.509 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](C[C@H]2CCCCO2)CC1=O ZINC000649688068 397657153 /nfs/dbraw/zinc/65/71/53/397657153.db2.gz PWGNVKQXSYGQNO-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](C[C@H]2CCCCO2)CC1=O ZINC000649688068 397657158 /nfs/dbraw/zinc/65/71/58/397657158.db2.gz PWGNVKQXSYGQNO-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCCC1(C[NH3+])CC1 ZINC000649480793 397619103 /nfs/dbraw/zinc/61/91/03/397619103.db2.gz UGBGWWXXPGCPRQ-NSHDSACASA-N 2 2 265.361 0.700 20 0 CCADLP C[N@H+](CCNC(=O)Cc1cn2c([nH+]1)CCCC2)C1CC1 ZINC000651176399 397847361 /nfs/dbraw/zinc/84/73/61/397847361.db2.gz JIKIRYVNZZYKGP-UHFFFAOYSA-N 2 2 276.384 0.972 20 0 CCADLP C[N@@H+](CCNC(=O)Cc1cn2c([nH+]1)CCCC2)C1CC1 ZINC000651176399 397847364 /nfs/dbraw/zinc/84/73/64/397847364.db2.gz JIKIRYVNZZYKGP-UHFFFAOYSA-N 2 2 276.384 0.972 20 0 CCADLP NC(=O)c1c[nH+]ccc1NCc1[nH+]ccn1CC(F)(F)F ZINC000547277313 285928936 /nfs/dbraw/zinc/92/89/36/285928936.db2.gz XVIGEBORBDRWLC-UHFFFAOYSA-N 2 2 299.256 0.973 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)N(C)CC(F)(F)F ZINC000420368695 296586825 /nfs/dbraw/zinc/58/68/25/296586825.db2.gz NWZXRABCAHANEY-YWVKMMECSA-N 2 2 281.322 0.983 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)C2CC[NH+](C3CC3)CC2)CCO1 ZINC000549706222 286096238 /nfs/dbraw/zinc/09/62/38/286096238.db2.gz AOVMOLJVCXUZOE-ZDUSSCGKSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)C2CC[NH+](C3CC3)CC2)CCO1 ZINC000549706222 286096239 /nfs/dbraw/zinc/09/62/39/286096239.db2.gz AOVMOLJVCXUZOE-ZDUSSCGKSA-N 2 2 295.427 0.698 20 0 CCADLP CO[C@H]1C[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000300657924 286110923 /nfs/dbraw/zinc/11/09/23/286110923.db2.gz VZCOWZAEGYZBOP-RYUDHWBXSA-N 2 2 269.389 0.164 20 0 CCADLP CC[NH+](CC)CC(=O)NCc1c[nH+]c(C)nc1N ZINC000552020431 286147939 /nfs/dbraw/zinc/14/79/39/286147939.db2.gz ZCTDQAQARWIKEL-UHFFFAOYSA-N 2 2 251.334 0.156 20 0 CCADLP CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000333320215 286626259 /nfs/dbraw/zinc/62/62/59/286626259.db2.gz UIBYKPKUKJXPRN-IJLUTSLNSA-N 2 2 260.403 0.684 20 0 CCADLP C[C@H](CC[NH3+])NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000417515392 298423990 /nfs/dbraw/zinc/42/39/90/298423990.db2.gz CXPODCUWTJNQJB-GRYCIOLGSA-N 2 2 272.393 0.132 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C2CC2)C1 ZINC000400007383 411776770 /nfs/dbraw/zinc/77/67/70/411776770.db2.gz SMBXCERTOWOEHE-ZIAGYGMSSA-N 2 2 256.390 0.657 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C2CC2)C1 ZINC000400007383 411776775 /nfs/dbraw/zinc/77/67/75/411776775.db2.gz SMBXCERTOWOEHE-ZIAGYGMSSA-N 2 2 256.390 0.657 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000400007383 411776779 /nfs/dbraw/zinc/77/67/79/411776779.db2.gz SMBXCERTOWOEHE-ZIAGYGMSSA-N 2 2 256.390 0.657 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000400007383 411776784 /nfs/dbraw/zinc/77/67/84/411776784.db2.gz SMBXCERTOWOEHE-ZIAGYGMSSA-N 2 2 256.390 0.657 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](OC(C)C)C1 ZINC000404496821 411795367 /nfs/dbraw/zinc/79/53/67/411795367.db2.gz VSUXQBNFHLBSPU-LSDHHAIUSA-N 2 2 288.432 0.815 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](OC(C)C)C1 ZINC000404496821 411795373 /nfs/dbraw/zinc/79/53/73/411795373.db2.gz VSUXQBNFHLBSPU-LSDHHAIUSA-N 2 2 288.432 0.815 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](OC(C)C)C1 ZINC000404496821 411795382 /nfs/dbraw/zinc/79/53/82/411795382.db2.gz VSUXQBNFHLBSPU-LSDHHAIUSA-N 2 2 288.432 0.815 20 0 CCADLP O=C([C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000407245870 411803770 /nfs/dbraw/zinc/80/37/70/411803770.db2.gz ALANSFDMLQURCS-ILXRZTDVSA-N 2 2 293.411 0.450 20 0 CCADLP C[C@H](CC(=O)NCCOCC[NH+](C)C)n1cc[nH+]c1 ZINC000651667810 411916332 /nfs/dbraw/zinc/91/63/32/411916332.db2.gz SKUCLDHNYROZOA-GFCCVEGCSA-N 2 2 268.361 0.529 20 0 CCADLP CC(C)n1c[nH+]cc1CN1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651977543 411971721 /nfs/dbraw/zinc/97/17/21/411971721.db2.gz PJMAMDKLHBEFHY-CQSZACIVSA-N 2 2 264.373 0.715 20 0 CCADLP CC(C)n1c[nH+]cc1CN1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651977543 411971723 /nfs/dbraw/zinc/97/17/23/411971723.db2.gz PJMAMDKLHBEFHY-CQSZACIVSA-N 2 2 264.373 0.715 20 0 CCADLP CO[C@@H]1CCCC[C@H]1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000652306890 412025565 /nfs/dbraw/zinc/02/55/65/412025565.db2.gz HTNQVNBQRQCASH-YNEHKIRRSA-N 2 2 284.404 0.228 20 0 CCADLP CO[C@@H]1CCCC[C@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000652306890 412025567 /nfs/dbraw/zinc/02/55/67/412025567.db2.gz HTNQVNBQRQCASH-YNEHKIRRSA-N 2 2 284.404 0.228 20 0 CCADLP C[C@H](CC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21)n1cc[nH+]c1 ZINC000652322610 412027870 /nfs/dbraw/zinc/02/78/70/412027870.db2.gz PNGOTDULCBTWMV-FRRDWIJNSA-N 2 2 262.357 0.997 20 0 CCADLP C[C@H](CC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21)n1cc[nH+]c1 ZINC000652322610 412027874 /nfs/dbraw/zinc/02/78/74/412027874.db2.gz PNGOTDULCBTWMV-FRRDWIJNSA-N 2 2 262.357 0.997 20 0 CCADLP C[N@@H+]1C[C@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC000652323506 412028548 /nfs/dbraw/zinc/02/85/48/412028548.db2.gz JBSZONRSPHXWSH-TZMCWYRMSA-N 2 2 288.395 0.924 20 0 CCADLP C[N@H+]1C[C@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC000652323506 412028550 /nfs/dbraw/zinc/02/85/50/412028550.db2.gz JBSZONRSPHXWSH-TZMCWYRMSA-N 2 2 288.395 0.924 20 0 CCADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC(=O)Nc1ccon1)C2 ZINC000652351190 412033112 /nfs/dbraw/zinc/03/31/12/412033112.db2.gz LTKXNSSMXUETRM-GWCFXTLKSA-N 2 2 264.329 0.096 20 0 CCADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC(=O)Nc1ccon1)C2 ZINC000652351190 412033116 /nfs/dbraw/zinc/03/31/16/412033116.db2.gz LTKXNSSMXUETRM-GWCFXTLKSA-N 2 2 264.329 0.096 20 0 CCADLP CCCCCNC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000652356468 412036854 /nfs/dbraw/zinc/03/68/54/412036854.db2.gz MLYVZWAAOXQOIU-CHWSQXEVSA-N 2 2 271.405 0.588 20 0 CCADLP CCCCCNC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000652356468 412036858 /nfs/dbraw/zinc/03/68/58/412036858.db2.gz MLYVZWAAOXQOIU-CHWSQXEVSA-N 2 2 271.405 0.588 20 0 CCADLP [NH3+][C@H](Cc1ccccc1)C(=O)NCCCn1cc[nH+]c1 ZINC000020506382 171228937 /nfs/dbraw/zinc/22/89/37/171228937.db2.gz UIRWBHPMCPTPCF-CQSZACIVSA-N 2 2 272.352 0.959 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1CCC[NH2+]C1 ZINC000653044693 412198281 /nfs/dbraw/zinc/19/82/81/412198281.db2.gz XISNHCRPQQZBRU-LLVKDONJSA-N 2 2 262.357 0.630 20 0 CCADLP C[C@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC[C@@H]1[NH3+] ZINC000653051382 412202029 /nfs/dbraw/zinc/20/20/29/412202029.db2.gz YBGZHKHPNRFTSS-AAEUAGOBSA-N 2 2 276.384 0.958 20 0 CCADLP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653052381 412202789 /nfs/dbraw/zinc/20/27/89/412202789.db2.gz CHBSFYPPWWFGAT-WCQYABFASA-N 3 2 258.410 0.145 20 0 CCADLP COc1ccccc1OCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653058251 412204973 /nfs/dbraw/zinc/20/49/73/412204973.db2.gz KZINIURPYKHKQL-LBPRGKRZSA-N 2 2 295.383 0.469 20 0 CCADLP COc1ccc(OC)c(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000653064247 412207480 /nfs/dbraw/zinc/20/74/80/412207480.db2.gz LWQHFLJXJGNJQY-CYBMUJFWSA-N 2 2 295.383 0.599 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1ccc(F)cc1F ZINC000653065647 412208003 /nfs/dbraw/zinc/20/80/03/412208003.db2.gz NFMWPYNODBQYEW-LBPRGKRZSA-N 2 2 271.311 0.860 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCc1ccsc1 ZINC000653069569 412208653 /nfs/dbraw/zinc/20/86/53/412208653.db2.gz SYWGOIOZPXZPHX-NSHDSACASA-N 2 2 255.387 0.686 20 0 CCADLP COCCOc1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653070274 412209064 /nfs/dbraw/zinc/20/90/64/412209064.db2.gz PZRFGEPZDZLSSU-CQSZACIVSA-N 2 2 295.383 0.929 20 0 CCADLP C[C@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)Oc1ccccc1 ZINC000653074047 412209667 /nfs/dbraw/zinc/20/96/67/412209667.db2.gz XLRABTZPLNPZIC-TZMCWYRMSA-N 2 2 279.384 0.849 20 0 CCADLP Cc1ccccc1OCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653076566 412209708 /nfs/dbraw/zinc/20/97/08/412209708.db2.gz ZTMWNIQOERQXLS-ZDUSSCGKSA-N 2 2 279.384 0.769 20 0 CCADLP C[C@H](O)CN(Cc1ccccc1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653074012 412210479 /nfs/dbraw/zinc/21/04/79/412210479.db2.gz WJFAYUAUNZLUQT-DZGCQCFKSA-N 2 2 293.411 0.675 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC1CCSCC1 ZINC000653080754 412211281 /nfs/dbraw/zinc/21/12/81/412211281.db2.gz RTPXPXNHWCYAAT-NSHDSACASA-N 2 2 259.419 0.525 20 0 CCADLP COc1ccc2c(c1)CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC2 ZINC000653079537 412211536 /nfs/dbraw/zinc/21/15/36/412211536.db2.gz CNHOHEKUQCIZQI-HNNXBMFYSA-N 2 2 291.395 0.859 20 0 CCADLP COc1ccc(CCNC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1F ZINC000653086641 412212601 /nfs/dbraw/zinc/21/26/01/412212601.db2.gz YIWNVCMXXQCEBZ-CYBMUJFWSA-N 2 2 297.374 0.772 20 0 CCADLP C[C@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C2(CCC2)CO1 ZINC000653253933 412271706 /nfs/dbraw/zinc/27/17/06/412271706.db2.gz DTJOXEGABTYADS-NWDGAFQWSA-N 2 2 269.389 0.435 20 0 CCADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000653299324 412285207 /nfs/dbraw/zinc/28/52/07/412285207.db2.gz OTMGJLCSZZXYPZ-TUUVXOQKSA-N 3 2 277.412 0.729 20 0 CCADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000653299324 412285211 /nfs/dbraw/zinc/28/52/11/412285211.db2.gz OTMGJLCSZZXYPZ-TUUVXOQKSA-N 3 2 277.412 0.729 20 0 CCADLP CC(C)Cn1cc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cn1 ZINC000653098473 412217274 /nfs/dbraw/zinc/21/72/74/412217274.db2.gz OKUXUMIFEPTUSY-GFCCVEGCSA-N 2 2 267.377 0.757 20 0 CCADLP COCCC1(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)CCC1 ZINC000653103243 412218529 /nfs/dbraw/zinc/21/85/29/412218529.db2.gz GBFHFBVQXWKXDX-GFCCVEGCSA-N 2 2 271.405 0.588 20 0 CCADLP CC(C)C[NH+]1CCC(NC(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653107699 412221437 /nfs/dbraw/zinc/22/14/37/412221437.db2.gz UTCFJZCEOHGSFD-CQSZACIVSA-N 3 2 284.448 0.502 20 0 CCADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653112666 412224630 /nfs/dbraw/zinc/22/46/30/412224630.db2.gz GAHRXSKBXRSECY-XGUBFFRZSA-N 3 2 298.475 0.748 20 0 CCADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653112666 412224634 /nfs/dbraw/zinc/22/46/34/412224634.db2.gz GAHRXSKBXRSECY-XGUBFFRZSA-N 3 2 298.475 0.748 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)C[C@@H]2CCC[C@H]2[NH3+])CCO1 ZINC000653114755 412225871 /nfs/dbraw/zinc/22/58/71/412225871.db2.gz VOCVRGPMXVPZNL-RWMBFGLXSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)C[C@@H]2CCC[C@H]2[NH3+])CCO1 ZINC000653114755 412225874 /nfs/dbraw/zinc/22/58/74/412225874.db2.gz VOCVRGPMXVPZNL-RWMBFGLXSA-N 2 2 269.389 0.341 20 0 CCADLP Cc1nc(C)c(CCNC(=O)[C@H]([NH3+])CC[NH+](C)C)s1 ZINC000653119053 412227796 /nfs/dbraw/zinc/22/77/96/412227796.db2.gz ZEXFQMYCYFHTDC-LLVKDONJSA-N 2 2 284.429 0.698 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000653147635 412241916 /nfs/dbraw/zinc/24/19/16/412241916.db2.gz XCGQKGSHSSXREO-GXTWGEPZSA-N 2 2 288.395 0.972 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000653147982 412241932 /nfs/dbraw/zinc/24/19/32/412241932.db2.gz IZXWQWKNOLXRPH-CQSZACIVSA-N 3 2 284.448 0.598 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC([C@@H]2CCCO2)CC1 ZINC000653150727 412243049 /nfs/dbraw/zinc/24/30/49/412243049.db2.gz MWRZXKJJSPXSMD-KGLIPLIRSA-N 2 2 283.416 0.683 20 0 CCADLP CC(C)[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)CCO1 ZINC000653154428 412245769 /nfs/dbraw/zinc/24/57/69/412245769.db2.gz RPBBVACDMALZTQ-XQQFMLRXSA-N 2 2 271.405 0.585 20 0 CCADLP CN(C(=O)Cc1cn2c([nH+]1)CCCC2)[C@@H](C[NH3+])C1CC1 ZINC000653162387 412248020 /nfs/dbraw/zinc/24/80/20/412248020.db2.gz FKODXVRKDAFROA-ZDUSSCGKSA-N 2 2 276.384 0.958 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000653167880 412249268 /nfs/dbraw/zinc/24/92/68/412249268.db2.gz IAUYXCWACUNRMS-NWDGAFQWSA-N 3 2 268.405 0.056 20 0 CCADLP [NH3+]C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CCCO1 ZINC000653164247 412249954 /nfs/dbraw/zinc/24/99/54/412249954.db2.gz ZJNCTWZLAVIOKO-CYBMUJFWSA-N 2 2 292.383 0.338 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000653168959 412250816 /nfs/dbraw/zinc/25/08/16/412250816.db2.gz WIEKGQJZGFFXFT-ZNMIVQPWSA-N 2 2 297.443 0.931 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CN1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000653720803 412339255 /nfs/dbraw/zinc/33/92/55/412339255.db2.gz GAZYZEPXMCFVQW-CABCVRRESA-N 2 2 267.417 0.877 20 0 CCADLP C[N@H+]1CCC[C@@H]1CN1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000653720803 412339258 /nfs/dbraw/zinc/33/92/58/412339258.db2.gz GAZYZEPXMCFVQW-CABCVRRESA-N 2 2 267.417 0.877 20 0 CCADLP Cc1cc(NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc[nH+]1 ZINC000654025297 412367677 /nfs/dbraw/zinc/36/76/77/412367677.db2.gz CJMXGSKRFSOIBG-QWHCGFSZSA-N 2 2 276.340 0.095 20 0 CCADLP COc1ccnc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000653347298 412292630 /nfs/dbraw/zinc/29/26/30/412292630.db2.gz ZQKNBGHCHYJYRI-SNVBAGLBSA-N 2 2 252.318 0.308 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(C)(C)CO)C2)CC1 ZINC000654775000 412437652 /nfs/dbraw/zinc/43/76/52/412437652.db2.gz ALQSGEVYFIPUAC-LBPRGKRZSA-N 2 2 283.416 0.290 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(C)(C)CO)C2)CC1 ZINC000654775000 412437658 /nfs/dbraw/zinc/43/76/58/412437658.db2.gz ALQSGEVYFIPUAC-LBPRGKRZSA-N 2 2 283.416 0.290 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000655140642 412488638 /nfs/dbraw/zinc/48/86/38/412488638.db2.gz VGLJVCZJLKAETJ-RYUDHWBXSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000655140642 412488643 /nfs/dbraw/zinc/48/86/43/412488643.db2.gz VGLJVCZJLKAETJ-RYUDHWBXSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000655140642 412488650 /nfs/dbraw/zinc/48/86/50/412488650.db2.gz VGLJVCZJLKAETJ-RYUDHWBXSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000655140642 412488653 /nfs/dbraw/zinc/48/86/53/412488653.db2.gz VGLJVCZJLKAETJ-RYUDHWBXSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC1([NH3+])CCCC1 ZINC000659436753 413497465 /nfs/dbraw/zinc/49/74/65/413497465.db2.gz XHWPNNOZKBQPEU-LBPRGKRZSA-N 2 2 284.404 0.278 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)NCCCCn1cc[nH+]c1 ZINC000659440278 413502390 /nfs/dbraw/zinc/50/23/90/413502390.db2.gz FZSDRQYDVDXZTO-LLVKDONJSA-N 2 2 253.350 0.570 20 0 CCADLP C[C@H](NC(=O)N1CC2CC1(C[NH3+])C2)[C@H](C)[NH+]1CCOCC1 ZINC000659450131 413508920 /nfs/dbraw/zinc/50/89/20/413508920.db2.gz HVPGYSFMYYQHKK-YKQCJFHZSA-N 2 2 296.415 0.228 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)NCc1[nH+]ccn1CC(C)C ZINC000659460635 413520109 /nfs/dbraw/zinc/52/01/09/413520109.db2.gz ZUEKDZDHPFPWGN-LLVKDONJSA-N 2 2 267.377 0.946 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000659469019 413526603 /nfs/dbraw/zinc/52/66/03/413526603.db2.gz FZYOJKZWHKTQNB-JTQLQIEISA-N 2 2 261.329 0.741 20 0 CCADLP [NH3+]CC12CC(C1)CN2C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000659494001 413546696 /nfs/dbraw/zinc/54/66/96/413546696.db2.gz KYHREBXUHSPLAT-OPASDULOSA-N 2 2 275.356 0.400 20 0 CCADLP [NH3+]CC12CC(C1)CN2C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000659494001 413546704 /nfs/dbraw/zinc/54/67/04/413546704.db2.gz KYHREBXUHSPLAT-OPASDULOSA-N 2 2 275.356 0.400 20 0 CCADLP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000659493984 413547228 /nfs/dbraw/zinc/54/72/28/413547228.db2.gz KJBUUAJWDNQUSC-GHMZBOCLSA-N 2 2 279.388 0.940 20 0 CCADLP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000659493984 413547243 /nfs/dbraw/zinc/54/72/43/413547243.db2.gz KJBUUAJWDNQUSC-GHMZBOCLSA-N 2 2 279.388 0.940 20 0 CCADLP C[C@H](NC(=O)NCCCN1CC[NH2+]CC1)c1[nH+]ccn1C ZINC000659506261 413564439 /nfs/dbraw/zinc/56/44/39/413564439.db2.gz NEIBYHDQIJPYEB-LBPRGKRZSA-N 2 2 294.403 0.076 20 0 CCADLP C[C@H](NC(=O)N[C@H](C[NH3+])C1CC1)c1[nH+]ccn1C ZINC000659517650 413583920 /nfs/dbraw/zinc/58/39/20/413583920.db2.gz ABODIKYMJHTCDA-WCBMZHEXSA-N 2 2 251.334 0.518 20 0 CCADLP C[C@H](NC(=O)N[C@H]1CCC[NH2+]C1)c1[nH+]ccn1C ZINC000659518480 413587964 /nfs/dbraw/zinc/58/79/64/413587964.db2.gz XUMAOHBYHQPWTG-UWVGGRQHSA-N 2 2 251.334 0.532 20 0 CCADLP CCCC[C@@H](C[NH3+])NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659524927 413598444 /nfs/dbraw/zinc/59/84/44/413598444.db2.gz XGFCWHMXTWSZQE-KBPBESRZSA-N 2 2 298.431 0.620 20 0 CCADLP C[C@H](NC(=O)NCC[C@H]1CC[NH2+]C1)c1[nH+]ccn1C ZINC000659514811 413577076 /nfs/dbraw/zinc/57/70/76/413577076.db2.gz VDCJWXFTIXBDTG-WDEREUQCSA-N 2 2 265.361 0.780 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000659535589 413619065 /nfs/dbraw/zinc/61/90/65/413619065.db2.gz ALIYYEVBHKTRPJ-ZJUUUORDSA-N 2 2 253.350 0.778 20 0 CCADLP C[C@H](NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)c1[nH+]ccn1C ZINC000659536523 413621616 /nfs/dbraw/zinc/62/16/16/413621616.db2.gz NPFSTBWIKRPQLN-OUAUKWLOSA-N 2 2 265.361 0.778 20 0 CCADLP C[C@H](NC(=O)NCC12CC(C1)C[NH2+]2)c1[nH+]ccn1C ZINC000659611704 413701426 /nfs/dbraw/zinc/70/14/26/413701426.db2.gz QIFKVOGPYWOMOK-JBLZRFIASA-N 2 2 263.345 0.532 20 0 CCADLP C[C@@H](NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1[nH+]ccn1C ZINC000659626922 413724096 /nfs/dbraw/zinc/72/40/96/413724096.db2.gz FDMXVKHHOVBUMI-BXUZGUMPSA-N 2 2 277.372 0.876 20 0 CCADLP C[C@@H](NC(=O)N1CC[NH2+]C(C)(C)C1)c1[nH+]ccn1C ZINC000659629310 413725213 /nfs/dbraw/zinc/72/52/13/413725213.db2.gz VQNPGEKEEAYOAG-SNVBAGLBSA-N 2 2 265.361 0.875 20 0 CCADLP O=C1C[C@H](C[N@@H+]2CCC[C@H]2C[NH+]2CCCC2)CN1 ZINC000659871218 413928508 /nfs/dbraw/zinc/92/85/08/413928508.db2.gz PEGLZWUOOAPURY-STQMWFEESA-N 2 2 251.374 0.683 20 0 CCADLP O=C1C[C@H](C[N@H+]2CCC[C@H]2C[NH+]2CCCC2)CN1 ZINC000659871218 413928519 /nfs/dbraw/zinc/92/85/19/413928519.db2.gz PEGLZWUOOAPURY-STQMWFEESA-N 2 2 251.374 0.683 20 0 CCADLP C[NH+]1CCN(C[C@@H]2C[N@@H+]([C@@H]3COC(C)(C)C3)CCO2)CC1 ZINC000659899291 413954234 /nfs/dbraw/zinc/95/42/34/413954234.db2.gz GMGXEVFCZQQKHM-LSDHHAIUSA-N 2 2 297.443 0.502 20 0 CCADLP C[NH+]1CCN(C[C@@H]2C[N@H+]([C@@H]3COC(C)(C)C3)CCO2)CC1 ZINC000659899291 413954244 /nfs/dbraw/zinc/95/42/44/413954244.db2.gz GMGXEVFCZQQKHM-LSDHHAIUSA-N 2 2 297.443 0.502 20 0 CCADLP CNC(=O)C1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000659825060 413892595 /nfs/dbraw/zinc/89/25/95/413892595.db2.gz MQKFGNXVZSQNTH-CYBMUJFWSA-N 2 2 271.405 0.146 20 0 CCADLP CNC(=O)C1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000659825060 413892608 /nfs/dbraw/zinc/89/26/08/413892608.db2.gz MQKFGNXVZSQNTH-CYBMUJFWSA-N 2 2 271.405 0.146 20 0 CCADLP CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000285590386 196336321 /nfs/dbraw/zinc/33/63/21/196336321.db2.gz KTLVQPBBJNSCKJ-NSHDSACASA-N 2 2 286.401 0.481 20 0 CCADLP CN(C)S(=O)(=O)CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000285590386 196336322 /nfs/dbraw/zinc/33/63/22/196336322.db2.gz KTLVQPBBJNSCKJ-NSHDSACASA-N 2 2 286.401 0.481 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)CCN1CCCC1=O ZINC000659926984 413972346 /nfs/dbraw/zinc/97/23/46/413972346.db2.gz OHVINASYYGGCHQ-ZDUSSCGKSA-N 2 2 271.405 0.242 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)CCN1CCCC1=O ZINC000659926984 413972352 /nfs/dbraw/zinc/97/23/52/413972352.db2.gz OHVINASYYGGCHQ-ZDUSSCGKSA-N 2 2 271.405 0.242 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)CCN1CCCC1=O ZINC000659926984 413972360 /nfs/dbraw/zinc/97/23/60/413972360.db2.gz OHVINASYYGGCHQ-ZDUSSCGKSA-N 2 2 271.405 0.242 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)CCN1CCCC1=O ZINC000659926984 413972366 /nfs/dbraw/zinc/97/23/66/413972366.db2.gz OHVINASYYGGCHQ-ZDUSSCGKSA-N 2 2 271.405 0.242 20 0 CCADLP CN1CC(=O)N(CC[N@H+](C)CCCn2cc[nH+]c2)C1=O ZINC000660146190 414156971 /nfs/dbraw/zinc/15/69/71/414156971.db2.gz DTJJMCDMHRBNNJ-UHFFFAOYSA-N 2 2 279.344 0.099 20 0 CCADLP CN1CC(=O)N(CC[N@@H+](C)CCCn2cc[nH+]c2)C1=O ZINC000660146190 414156982 /nfs/dbraw/zinc/15/69/82/414156982.db2.gz DTJJMCDMHRBNNJ-UHFFFAOYSA-N 2 2 279.344 0.099 20 0 CCADLP CCN1CC[C@H]([NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC000660074152 414087494 /nfs/dbraw/zinc/08/74/94/414087494.db2.gz KTAVXZBHOVBMLM-GJZGRUSLSA-N 2 2 294.443 0.319 20 0 CCADLP CCN1CC[C@H]([NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC000660074152 414087502 /nfs/dbraw/zinc/08/75/02/414087502.db2.gz KTAVXZBHOVBMLM-GJZGRUSLSA-N 2 2 294.443 0.319 20 0 CCADLP CCN1OC[C@H]([N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000660078276 414090473 /nfs/dbraw/zinc/09/04/73/414090473.db2.gz TWBLBLPDZKWOPP-MNOVXSKESA-N 2 2 264.329 0.751 20 0 CCADLP CCN1OC[C@H]([N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000660078276 414090478 /nfs/dbraw/zinc/09/04/78/414090478.db2.gz TWBLBLPDZKWOPP-MNOVXSKESA-N 2 2 264.329 0.751 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000660345933 414255546 /nfs/dbraw/zinc/25/55/46/414255546.db2.gz PSENHJQQGRHIJO-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000660345933 414255557 /nfs/dbraw/zinc/25/55/57/414255557.db2.gz PSENHJQQGRHIJO-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[N@H+](CCO)C(C)(C)C2)C[C@@H](C)O1 ZINC000660370890 414269224 /nfs/dbraw/zinc/26/92/24/414269224.db2.gz GQXXQTMMOJSWLX-HUUCEWRRSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[N@@H+](CCO)C(C)(C)C2)C[C@@H](C)O1 ZINC000660370890 414269234 /nfs/dbraw/zinc/26/92/34/414269234.db2.gz GQXXQTMMOJSWLX-HUUCEWRRSA-N 2 2 299.459 0.484 20 0 CCADLP Cc1cc[nH+]cc1N1CC[NH+](C[C@H]2CNC(=O)C2)CC1 ZINC000660464957 414340098 /nfs/dbraw/zinc/34/00/98/414340098.db2.gz HEXMBZHCEVQZKY-CYBMUJFWSA-N 2 2 274.368 0.648 20 0 CCADLP COC[C@H](C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)OC ZINC000660474537 414342865 /nfs/dbraw/zinc/34/28/65/414342865.db2.gz JPHWNPWRNWSLNW-GJZGRUSLSA-N 2 2 286.416 0.835 20 0 CCADLP COC[C@H](C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)OC ZINC000660474537 414342870 /nfs/dbraw/zinc/34/28/70/414342870.db2.gz JPHWNPWRNWSLNW-GJZGRUSLSA-N 2 2 286.416 0.835 20 0 CCADLP CCN1CC[C@H]([N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000660484655 414354414 /nfs/dbraw/zinc/35/44/14/414354414.db2.gz ZUTYLBUXPYHTGV-GJZGRUSLSA-N 2 2 295.427 0.651 20 0 CCADLP CCN1CC[C@H]([N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000660484655 414354423 /nfs/dbraw/zinc/35/44/23/414354423.db2.gz ZUTYLBUXPYHTGV-GJZGRUSLSA-N 2 2 295.427 0.651 20 0 CCADLP CCN1CC[C@H]([N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000660617834 414416975 /nfs/dbraw/zinc/41/69/75/414416975.db2.gz ZCLNEJGPHCDESI-JSGCOSHPSA-N 2 2 251.374 0.635 20 0 CCADLP CCN1CC[C@H]([N@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000660617834 414416978 /nfs/dbraw/zinc/41/69/78/414416978.db2.gz ZCLNEJGPHCDESI-JSGCOSHPSA-N 2 2 251.374 0.635 20 0 CCADLP CCN1CC[C@H]([NH+]2CC[C@]3(CC[N@H+](C)C3)C2)C1=O ZINC000660617834 414416981 /nfs/dbraw/zinc/41/69/81/414416981.db2.gz ZCLNEJGPHCDESI-JSGCOSHPSA-N 2 2 251.374 0.635 20 0 CCADLP CCN1CC[C@H]([NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000660617834 414416985 /nfs/dbraw/zinc/41/69/85/414416985.db2.gz ZCLNEJGPHCDESI-JSGCOSHPSA-N 2 2 251.374 0.635 20 0 CCADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)NC[C@H]1CCCO1)C2 ZINC000660651875 414429174 /nfs/dbraw/zinc/42/91/74/414429174.db2.gz DNSAGTIDYFXVLW-GDBMZVCRSA-N 2 2 295.427 0.699 20 0 CCADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)NC[C@H]1CCCO1)C2 ZINC000660651875 414429179 /nfs/dbraw/zinc/42/91/79/414429179.db2.gz DNSAGTIDYFXVLW-GDBMZVCRSA-N 2 2 295.427 0.699 20 0 CCADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC(=O)NC[C@H]1CCCO1)C2 ZINC000660651875 414429184 /nfs/dbraw/zinc/42/91/84/414429184.db2.gz DNSAGTIDYFXVLW-GDBMZVCRSA-N 2 2 295.427 0.699 20 0 CCADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC(=O)NC[C@H]1CCCO1)C2 ZINC000660651875 414429191 /nfs/dbraw/zinc/42/91/91/414429191.db2.gz DNSAGTIDYFXVLW-GDBMZVCRSA-N 2 2 295.427 0.699 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000660703382 414449773 /nfs/dbraw/zinc/44/97/73/414449773.db2.gz BDFDKDBIDIGIDE-NSHDSACASA-N 2 2 281.360 0.272 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000660703382 414449777 /nfs/dbraw/zinc/44/97/77/414449777.db2.gz BDFDKDBIDIGIDE-NSHDSACASA-N 2 2 281.360 0.272 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000660703382 414449782 /nfs/dbraw/zinc/44/97/82/414449782.db2.gz BDFDKDBIDIGIDE-NSHDSACASA-N 2 2 281.360 0.272 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000660703382 414449787 /nfs/dbraw/zinc/44/97/87/414449787.db2.gz BDFDKDBIDIGIDE-NSHDSACASA-N 2 2 281.360 0.272 20 0 CCADLP C[C@@H](NC(=O)NCC[N@@H+]1CCCOCC1)c1[nH+]ccn1C ZINC000661237842 414581704 /nfs/dbraw/zinc/58/17/04/414581704.db2.gz MWALZZZWVVMPPV-GFCCVEGCSA-N 2 2 295.387 0.503 20 0 CCADLP C[C@@H](NC(=O)NCC[N@H+]1CCCOCC1)c1[nH+]ccn1C ZINC000661237842 414581709 /nfs/dbraw/zinc/58/17/09/414581709.db2.gz MWALZZZWVVMPPV-GFCCVEGCSA-N 2 2 295.387 0.503 20 0 CCADLP CCCCNC(=O)[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662258406 414701197 /nfs/dbraw/zinc/70/11/97/414701197.db2.gz ULJFPJLZTGINNE-KGLIPLIRSA-N 2 2 283.416 0.603 20 0 CCADLP CCCCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662258406 414701198 /nfs/dbraw/zinc/70/11/98/414701198.db2.gz ULJFPJLZTGINNE-KGLIPLIRSA-N 2 2 283.416 0.603 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040599624 174350454 /nfs/dbraw/zinc/35/04/54/174350454.db2.gz GNXNFNRENJMQEA-LLVKDONJSA-N 2 2 270.377 0.154 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040599624 174350456 /nfs/dbraw/zinc/35/04/56/174350456.db2.gz GNXNFNRENJMQEA-LLVKDONJSA-N 2 2 270.377 0.154 20 0 CCADLP [NH3+]CC[C@@H]1CCC[N@H+](Cc2nnn(CC(F)(F)F)n2)C1 ZINC000662272550 414703721 /nfs/dbraw/zinc/70/37/21/414703721.db2.gz OOYCIHMLSSCHBY-VIFPVBQESA-N 2 2 292.309 0.796 20 0 CCADLP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2nnn(CC(F)(F)F)n2)C1 ZINC000662272550 414703722 /nfs/dbraw/zinc/70/37/22/414703722.db2.gz OOYCIHMLSSCHBY-VIFPVBQESA-N 2 2 292.309 0.796 20 0 CCADLP O=C1CCCCN1C1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662280191 414705048 /nfs/dbraw/zinc/70/50/48/414705048.db2.gz YNDJRLOXNIPGNM-AWEZNQCLSA-N 2 2 281.400 0.452 20 0 CCADLP [NH3+]CC[N@H+](CCCOc1ccc(F)cc1)C[C@@H](O)CO ZINC000662288797 414707022 /nfs/dbraw/zinc/70/70/22/414707022.db2.gz KNHBJKDNYSOJQL-CYBMUJFWSA-N 2 2 286.347 0.209 20 0 CCADLP [NH3+]CC[N@@H+](CCCOc1ccc(F)cc1)C[C@@H](O)CO ZINC000662288797 414707023 /nfs/dbraw/zinc/70/70/23/414707023.db2.gz KNHBJKDNYSOJQL-CYBMUJFWSA-N 2 2 286.347 0.209 20 0 CCADLP Cc1cc(C[N@H+](CC[NH3+])C[C@@H](O)CO)c2ccccc2n1 ZINC000662289222 414707273 /nfs/dbraw/zinc/70/72/73/414707273.db2.gz YDAWHJSMIAOXEL-CQSZACIVSA-N 2 2 289.379 0.657 20 0 CCADLP Cc1cc(C[N@@H+](CC[NH3+])C[C@@H](O)CO)c2ccccc2n1 ZINC000662289222 414707274 /nfs/dbraw/zinc/70/72/74/414707274.db2.gz YDAWHJSMIAOXEL-CQSZACIVSA-N 2 2 289.379 0.657 20 0 CCADLP CN1CCC[C@@H]([N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)C1=O ZINC000662324940 414709645 /nfs/dbraw/zinc/70/96/45/414709645.db2.gz FKEYHEUGZFIZBR-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CN1CCC[C@@H]([N@H+]2CCO[C@H](CCC[NH+](C)C)C2)C1=O ZINC000662324940 414709646 /nfs/dbraw/zinc/70/96/46/414709646.db2.gz FKEYHEUGZFIZBR-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CCO[C@@H](CCC[NH+](C)C)C2)CCO1 ZINC000662323987 414709975 /nfs/dbraw/zinc/70/99/75/414709975.db2.gz RTXLOGLSILBBNR-CVEARBPZSA-N 2 2 299.459 0.750 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CCO[C@@H](CCC[NH+](C)C)C2)CCO1 ZINC000662323987 414709976 /nfs/dbraw/zinc/70/99/76/414709976.db2.gz RTXLOGLSILBBNR-CVEARBPZSA-N 2 2 299.459 0.750 20 0 CCADLP C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@H](C)O1 ZINC000661853234 414680774 /nfs/dbraw/zinc/68/07/74/414680774.db2.gz PLZKPWVUIPWBQC-DYEKYZERSA-N 2 2 256.390 0.941 20 0 CCADLP C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@H](C)O1 ZINC000661853234 414680775 /nfs/dbraw/zinc/68/07/75/414680775.db2.gz PLZKPWVUIPWBQC-DYEKYZERSA-N 2 2 256.390 0.941 20 0 CCADLP C[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C[C@H](C)O1 ZINC000661853234 414680776 /nfs/dbraw/zinc/68/07/76/414680776.db2.gz PLZKPWVUIPWBQC-DYEKYZERSA-N 2 2 256.390 0.941 20 0 CCADLP C[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C[C@H](C)O1 ZINC000661853234 414680777 /nfs/dbraw/zinc/68/07/77/414680777.db2.gz PLZKPWVUIPWBQC-DYEKYZERSA-N 2 2 256.390 0.941 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC3(COC3)C2)CC1 ZINC000662075747 414690086 /nfs/dbraw/zinc/69/00/86/414690086.db2.gz JZXSMKYPVRMLAW-ZDUSSCGKSA-N 2 2 281.400 0.261 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC3(COC3)C2)CC1 ZINC000662075747 414690087 /nfs/dbraw/zinc/69/00/87/414690087.db2.gz JZXSMKYPVRMLAW-ZDUSSCGKSA-N 2 2 281.400 0.261 20 0 CCADLP O[C@H]1CC[N@@H+](C2CC[NH+](CCOCC(F)F)CC2)C1 ZINC000662150868 414693725 /nfs/dbraw/zinc/69/37/25/414693725.db2.gz BWNSUYOQRAULAO-LBPRGKRZSA-N 2 2 278.343 0.799 20 0 CCADLP O[C@H]1CC[N@H+](C2CC[NH+](CCOCC(F)F)CC2)C1 ZINC000662150868 414693726 /nfs/dbraw/zinc/69/37/26/414693726.db2.gz BWNSUYOQRAULAO-LBPRGKRZSA-N 2 2 278.343 0.799 20 0 CCADLP Cc1c(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cnn1C ZINC000662159418 414694141 /nfs/dbraw/zinc/69/41/41/414694141.db2.gz ZXKCYQCOFYIDPT-OAHLLOKOSA-N 2 2 278.400 0.760 20 0 CCADLP Cc1c(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cnn1C ZINC000662159418 414694142 /nfs/dbraw/zinc/69/41/42/414694142.db2.gz ZXKCYQCOFYIDPT-OAHLLOKOSA-N 2 2 278.400 0.760 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662233350 414698302 /nfs/dbraw/zinc/69/83/02/414698302.db2.gz DNUJUBIKDHCMIM-AVGNSLFASA-N 3 2 253.390 0.709 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662233350 414698303 /nfs/dbraw/zinc/69/83/03/414698303.db2.gz DNUJUBIKDHCMIM-AVGNSLFASA-N 3 2 253.390 0.709 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662233353 414698346 /nfs/dbraw/zinc/69/83/46/414698346.db2.gz DNUJUBIKDHCMIM-RWMBFGLXSA-N 3 2 253.390 0.709 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662233353 414698347 /nfs/dbraw/zinc/69/83/47/414698347.db2.gz DNUJUBIKDHCMIM-RWMBFGLXSA-N 3 2 253.390 0.709 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662233358 414698365 /nfs/dbraw/zinc/69/83/65/414698365.db2.gz DNUJUBIKDHCMIM-YNEHKIRRSA-N 3 2 253.390 0.709 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662233358 414698366 /nfs/dbraw/zinc/69/83/66/414698366.db2.gz DNUJUBIKDHCMIM-YNEHKIRRSA-N 3 2 253.390 0.709 20 0 CCADLP Oc1ccc(N2CC[NH+](C[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000662258067 414700332 /nfs/dbraw/zinc/70/03/32/414700332.db2.gz HRZPODICIYXHLM-HNNXBMFYSA-N 2 2 277.368 0.503 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)C[C@H]2C[NH2+]CCO2)CC1(C)C ZINC000662756336 414765477 /nfs/dbraw/zinc/76/54/77/414765477.db2.gz IYFWWUVCJXFFLE-AAEUAGOBSA-N 2 2 292.383 0.708 20 0 CCADLP C[C@@H](Cc1ccco1)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000662430147 414717571 /nfs/dbraw/zinc/71/75/71/414717571.db2.gz UZUPLAJCXHJJEO-RYUDHWBXSA-N 2 2 265.357 0.560 20 0 CCADLP C[C@@H](Cc1ccco1)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000662430147 414717572 /nfs/dbraw/zinc/71/75/72/414717572.db2.gz UZUPLAJCXHJJEO-RYUDHWBXSA-N 2 2 265.357 0.560 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCc3cc(F)ccc32)[C@H](C[NH3+])C1 ZINC000662430501 414717949 /nfs/dbraw/zinc/71/79/49/414717949.db2.gz YPZLRPNUCNIXSJ-UKRRQHHQSA-N 2 2 291.370 0.957 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2CCc3cc(F)ccc32)[C@H](C[NH3+])C1 ZINC000662430501 414717950 /nfs/dbraw/zinc/71/79/50/414717950.db2.gz YPZLRPNUCNIXSJ-UKRRQHHQSA-N 2 2 291.370 0.957 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000662445589 414719089 /nfs/dbraw/zinc/71/90/89/414719089.db2.gz TVSVCRDNNRSAHO-ZDUSSCGKSA-N 2 2 295.387 0.152 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000662530038 414725843 /nfs/dbraw/zinc/72/58/43/414725843.db2.gz KULDSUYQCVGWAM-MJBXVCDLSA-N 2 2 283.416 0.744 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000662633002 414735484 /nfs/dbraw/zinc/73/54/84/414735484.db2.gz XAQCPEOWGGWZDO-AWEZNQCLSA-N 3 2 284.448 0.518 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000662633002 414735485 /nfs/dbraw/zinc/73/54/85/414735485.db2.gz XAQCPEOWGGWZDO-AWEZNQCLSA-N 3 2 284.448 0.518 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000662634085 414735718 /nfs/dbraw/zinc/73/57/18/414735718.db2.gz QFEKGOIVLRJKGD-XUXIUFHCSA-N 2 2 283.416 0.600 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000662634085 414735719 /nfs/dbraw/zinc/73/57/19/414735719.db2.gz QFEKGOIVLRJKGD-XUXIUFHCSA-N 2 2 283.416 0.600 20 0 CCADLP COCC[NH+]1CCN(C(=O)C2([NH3+])CC3(CCC3)C2)CC1 ZINC000662669507 414738951 /nfs/dbraw/zinc/73/89/51/414738951.db2.gz DDGOYTVEDZXEOU-UHFFFAOYSA-N 2 2 281.400 0.439 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C2([NH3+])CC3(CCC3)C2)CCO1 ZINC000662701514 414743467 /nfs/dbraw/zinc/74/34/67/414743467.db2.gz QIWFDQVZDBWXLT-GFCCVEGCSA-N 2 2 281.400 0.485 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2([NH3+])CC3(CCC3)C2)CCO1 ZINC000662701514 414743468 /nfs/dbraw/zinc/74/34/68/414743468.db2.gz QIWFDQVZDBWXLT-GFCCVEGCSA-N 2 2 281.400 0.485 20 0 CCADLP C[C@H]([NH3+])CCC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662704050 414743837 /nfs/dbraw/zinc/74/38/37/414743837.db2.gz STMUPCXBHYHZBN-ZDUSSCGKSA-N 2 2 283.416 0.685 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)C1(O)C[NH2+]C1)c1c(F)cccc1F ZINC000662733939 414748386 /nfs/dbraw/zinc/74/83/86/414748386.db2.gz LEIVDDQMSBZXTN-NSHDSACASA-N 2 2 299.321 0.018 20 0 CCADLP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000662876327 414861978 /nfs/dbraw/zinc/86/19/78/414861978.db2.gz VDSDZIXPEMYNDI-IQLKVPPVSA-N 2 2 260.341 0.395 20 0 CCADLP C[NH2+]CCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662901811 414881937 /nfs/dbraw/zinc/88/19/37/414881937.db2.gz ZJAJEJWWERJCBT-CQSZACIVSA-N 3 2 282.432 0.223 20 0 CCADLP C[NH2+]CCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662901811 414881944 /nfs/dbraw/zinc/88/19/44/414881944.db2.gz ZJAJEJWWERJCBT-CQSZACIVSA-N 3 2 282.432 0.223 20 0 CCADLP CN(C(=O)C1([NH3+])CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662901599 414882031 /nfs/dbraw/zinc/88/20/31/414882031.db2.gz WGCKBXQACJRAKC-ZDUSSCGKSA-N 3 2 280.416 0.105 20 0 CCADLP CN(C(=O)C1([NH3+])CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662901599 414882036 /nfs/dbraw/zinc/88/20/36/414882036.db2.gz WGCKBXQACJRAKC-ZDUSSCGKSA-N 3 2 280.416 0.105 20 0 CCADLP C[NH2+]CCCC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662901621 414882129 /nfs/dbraw/zinc/88/21/29/414882129.db2.gz XAPGXLDGLPYHOV-HNNXBMFYSA-N 3 2 296.459 0.613 20 0 CCADLP C[NH2+]CCCC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662901621 414882134 /nfs/dbraw/zinc/88/21/34/414882134.db2.gz XAPGXLDGLPYHOV-HNNXBMFYSA-N 3 2 296.459 0.613 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662903224 414882820 /nfs/dbraw/zinc/88/28/20/414882820.db2.gz XNEDWVSIIKNLHM-GARJFASQSA-N 2 2 266.345 0.444 20 0 CCADLP C[C@@]1(C(=O)N(CC[NH+]2CCOCC2)CC2CC2)CC[NH2+]C1 ZINC000662911016 414884814 /nfs/dbraw/zinc/88/48/14/414884814.db2.gz QMRGPVBRLMUQHW-MRXNPFEDSA-N 2 2 295.427 0.557 20 0 CCADLP C[C@@H](NC(=O)[C@H]1CC12CC[NH2+]CC2)c1[nH+]ccn1C ZINC000662932432 414900870 /nfs/dbraw/zinc/90/08/70/414900870.db2.gz ATKLAODPYHLRDT-GHMZBOCLSA-N 2 2 262.357 0.987 20 0 CCADLP C[C@H](NC(=O)c1ccnc(C[NH3+])c1)c1[nH+]ccn1C ZINC000662932773 414902861 /nfs/dbraw/zinc/90/28/61/414902861.db2.gz FOEMHHHKGLDBCT-VIFPVBQESA-N 2 2 259.313 0.765 20 0 CCADLP C[C@@H](NC(=O)CC[C@H]1CC[NH2+]C1)c1[nH+]ccn1C ZINC000662932777 414903069 /nfs/dbraw/zinc/90/30/69/414903069.db2.gz FTFZBPISPJZWNX-MNOVXSKESA-N 2 2 250.346 0.987 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C[C@@](C)(C(F)F)O1 ZINC000663005487 414945811 /nfs/dbraw/zinc/94/58/11/414945811.db2.gz PFEZQDAYZFRJHA-NRUUGDAUSA-N 2 2 293.358 0.537 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2nc3c(s2)C[NH2+]CC3)C1 ZINC000663494550 415078840 /nfs/dbraw/zinc/07/88/40/415078840.db2.gz JGQKOXJNHABLBN-VHSXEESVSA-N 3 2 266.414 0.958 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2nc3c(s2)C[NH2+]CC3)C1 ZINC000663494550 415078844 /nfs/dbraw/zinc/07/88/44/415078844.db2.gz JGQKOXJNHABLBN-VHSXEESVSA-N 3 2 266.414 0.958 20 0 CCADLP Cc1cccn2c(CN3CCOC4(C[NH2+]C4)C3)c[nH+]c12 ZINC000663512826 415082157 /nfs/dbraw/zinc/08/21/57/415082157.db2.gz OVXNLTPFLPHVEZ-UHFFFAOYSA-N 2 2 272.352 0.817 20 0 CCADLP Cc1ccc(NC(=O)C(=O)N[C@]2(C)CC[NH2+]C2)c(C)[nH+]1 ZINC000663612503 415095969 /nfs/dbraw/zinc/09/59/69/415095969.db2.gz INFVETBRUOENFS-CQSZACIVSA-N 2 2 276.340 0.505 20 0 CCADLP Cc1nc(N[C@@H](CO)C[NH+](C)C)c2c([nH+]1)CCCC2 ZINC000663910103 415171013 /nfs/dbraw/zinc/17/10/13/415171013.db2.gz FODZVPRUNFILAI-LLVKDONJSA-N 2 2 264.373 0.998 20 0 CCADLP CCN(C(=O)NCC[NH+]1CCOC[C@@H]1C)[C@H]1CC[N@H+](C)C1 ZINC000663992080 415196398 /nfs/dbraw/zinc/19/63/98/415196398.db2.gz VNYNYMCTLDXGNC-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP CCN(C(=O)NCC[NH+]1CCOC[C@@H]1C)[C@H]1CC[N@@H+](C)C1 ZINC000663992080 415196405 /nfs/dbraw/zinc/19/64/05/415196405.db2.gz VNYNYMCTLDXGNC-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP CCN(C(=O)NCC[N@@H+]1CCOC[C@@H]1C)[C@H]1CC[NH+](C)C1 ZINC000663992080 415196411 /nfs/dbraw/zinc/19/64/11/415196411.db2.gz VNYNYMCTLDXGNC-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP CCN(C(=O)NCC[N@H+]1CCOC[C@@H]1C)[C@H]1CC[NH+](C)C1 ZINC000663992080 415196416 /nfs/dbraw/zinc/19/64/16/415196416.db2.gz VNYNYMCTLDXGNC-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H](NC(=O)N[C@@H](C)C[NH+](C)C)c1[nH+]ccn1C ZINC000664895960 415486281 /nfs/dbraw/zinc/48/62/81/415486281.db2.gz KIRIWZMRYXDSIV-VHSXEESVSA-N 2 2 253.350 0.730 20 0 CCADLP C[C@@H](CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)[NH+](C)C ZINC000665044022 415516998 /nfs/dbraw/zinc/51/69/98/415516998.db2.gz PGEUQNWVSNDNGU-RWMBFGLXSA-N 2 2 286.420 0.345 20 0 CCADLP C[C@@H](CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)[NH+](C)C ZINC000665044022 415517004 /nfs/dbraw/zinc/51/70/04/415517004.db2.gz PGEUQNWVSNDNGU-RWMBFGLXSA-N 2 2 286.420 0.345 20 0 CCADLP NC(=O)c1csc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000665273551 415584049 /nfs/dbraw/zinc/58/40/49/415584049.db2.gz ZDBQKBWCBPXWIR-HTQZYQBOSA-N 2 2 254.359 0.459 20 0 CCADLP NC(=O)c1csc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])n1 ZINC000665273029 415584132 /nfs/dbraw/zinc/58/41/32/415584132.db2.gz PEPQRVXMYRJPRU-DTWKUNHWSA-N 2 2 268.386 0.849 20 0 CCADLP NC(=O)c1csc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000665273412 415584413 /nfs/dbraw/zinc/58/44/13/415584413.db2.gz WKXXSVNLDGYLEP-HTQZYQBOSA-N 2 2 254.359 0.602 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1nccn1C ZINC000665283510 415588395 /nfs/dbraw/zinc/58/83/95/415588395.db2.gz PBWQIYFZNWSGLH-WOPDTQHZSA-N 2 2 252.362 0.838 20 0 CCADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000665298186 415589345 /nfs/dbraw/zinc/58/93/45/415589345.db2.gz TXRIDLNHLOJZGK-QMTHXVAHSA-N 2 2 297.424 0.909 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000071276100 176106798 /nfs/dbraw/zinc/10/67/98/176106798.db2.gz LWXMHWJVKZQQAG-LLVKDONJSA-N 2 2 250.346 0.816 20 0 CCADLP c1nc(NCC[NH+]2CCCCC2)c2c([nH+]1)NCCO2 ZINC000665692212 416475135 /nfs/dbraw/zinc/47/51/35/416475135.db2.gz ZFSWZNRPAAAMGI-UHFFFAOYSA-N 2 2 263.345 0.291 20 0 CCADLP O=C(NCC[NH+]1CCOCC1)NC1CC[NH+](C2CC2)CC1 ZINC000047618102 544433391 /nfs/dbraw/zinc/43/33/91/544433391.db2.gz XMNPSOIFFCMRPM-UHFFFAOYSA-N 2 2 296.415 0.245 20 0 CCADLP CCc1nn(C)cc1C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000092392116 544532667 /nfs/dbraw/zinc/53/26/67/544532667.db2.gz HXAIQRQTBZAGNN-ZDUSSCGKSA-N 2 2 265.405 0.318 20 0 CCADLP CCc1nn(C)cc1C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000092392116 544532671 /nfs/dbraw/zinc/53/26/71/544532671.db2.gz HXAIQRQTBZAGNN-ZDUSSCGKSA-N 2 2 265.405 0.318 20 0 CCADLP CCc1nn(C)cc1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000092414969 544534237 /nfs/dbraw/zinc/53/42/37/544534237.db2.gz KMGCNNQPNGIQQR-ZDUSSCGKSA-N 2 2 254.378 0.385 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000091291630 544526407 /nfs/dbraw/zinc/52/64/07/544526407.db2.gz BGPAGUCFUFNLHN-VIFPVBQESA-N 2 2 254.359 0.463 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)no1 ZINC000631843268 419490629 /nfs/dbraw/zinc/49/06/29/419490629.db2.gz LNZROYPNHWZZLH-PSASIEDQSA-N 2 2 252.318 0.448 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)no1 ZINC000631843268 419490637 /nfs/dbraw/zinc/49/06/37/419490637.db2.gz LNZROYPNHWZZLH-PSASIEDQSA-N 2 2 252.318 0.448 20 0 CCADLP CN(C)C(=O)N1CCC([NH2+][C@@H]2CCC[N@H+](C)C2)CC1 ZINC000135122533 544634677 /nfs/dbraw/zinc/63/46/77/544634677.db2.gz KAKPDEPNMMBIII-CYBMUJFWSA-N 2 2 268.405 0.816 20 0 CCADLP CN(C)C(=O)N1CCC([NH2+][C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000135122533 544634685 /nfs/dbraw/zinc/63/46/85/544634685.db2.gz KAKPDEPNMMBIII-CYBMUJFWSA-N 2 2 268.405 0.816 20 0 CCADLP COC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)C1CC1 ZINC000153361343 544663416 /nfs/dbraw/zinc/66/34/16/544663416.db2.gz VHLKAQBQDBQFCG-TZMCWYRMSA-N 2 2 256.390 0.969 20 0 CCADLP CC[N@H+](CC(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC000154041594 544666726 /nfs/dbraw/zinc/66/67/26/544666726.db2.gz BYONMMYPCFNWEX-AAEUAGOBSA-N 2 2 269.389 0.306 20 0 CCADLP CC[N@@H+](CC(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC000154041594 544666727 /nfs/dbraw/zinc/66/67/27/544666727.db2.gz BYONMMYPCFNWEX-AAEUAGOBSA-N 2 2 269.389 0.306 20 0 CCADLP CC[NH+](CC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC000154041594 544666730 /nfs/dbraw/zinc/66/67/30/544666730.db2.gz BYONMMYPCFNWEX-AAEUAGOBSA-N 2 2 269.389 0.306 20 0 CCADLP CC[NH+](CC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000154041594 544666731 /nfs/dbraw/zinc/66/67/31/544666731.db2.gz BYONMMYPCFNWEX-AAEUAGOBSA-N 2 2 269.389 0.306 20 0 CCADLP [NH3+]Cc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)o1 ZINC000165682620 544723664 /nfs/dbraw/zinc/72/36/64/544723664.db2.gz BRJDEAOJQFZICU-LBPRGKRZSA-N 2 2 293.367 0.675 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)C1 ZINC000217546251 544815796 /nfs/dbraw/zinc/81/57/96/544815796.db2.gz CGAHGYZIRCMAOG-OLZOCXBDSA-N 2 2 253.390 0.916 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)C1 ZINC000217546251 544815799 /nfs/dbraw/zinc/81/57/99/544815799.db2.gz CGAHGYZIRCMAOG-OLZOCXBDSA-N 2 2 253.390 0.916 20 0 CCADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226033055 544828416 /nfs/dbraw/zinc/82/84/16/544828416.db2.gz HQVPJBVIOVQWQO-QWHCGFSZSA-N 2 2 298.431 0.030 20 0 CCADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226033055 544828423 /nfs/dbraw/zinc/82/84/23/544828423.db2.gz HQVPJBVIOVQWQO-QWHCGFSZSA-N 2 2 298.431 0.030 20 0 CCADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000280098392 544958163 /nfs/dbraw/zinc/95/81/63/544958163.db2.gz ZPYRJDIYSZKQCW-ZDUSSCGKSA-N 2 2 282.388 0.815 20 0 CCADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000280098392 544958165 /nfs/dbraw/zinc/95/81/65/544958165.db2.gz ZPYRJDIYSZKQCW-ZDUSSCGKSA-N 2 2 282.388 0.815 20 0 CCADLP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000305837542 545009311 /nfs/dbraw/zinc/00/93/11/545009311.db2.gz QAMFQHXWMJRSBX-JQWIXIFHSA-N 2 2 252.362 0.825 20 0 CCADLP CC[C@@](C)(C[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1)OC ZINC000322615417 545016424 /nfs/dbraw/zinc/01/64/24/545016424.db2.gz MCMYNIDFTITDET-HNNXBMFYSA-N 2 2 285.432 0.944 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000529438704 269872328 /nfs/dbraw/zinc/87/23/28/269872328.db2.gz HTJAIQOBQLUBHU-CQSZACIVSA-N 2 2 292.383 0.515 20 0 CCADLP Cc1cccnc1C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000521427089 262329008 /nfs/dbraw/zinc/32/90/08/262329008.db2.gz ZGNPDXSNRAXBSJ-QLFBSQMISA-N 2 2 293.411 0.950 20 0 CCADLP Cc1cccnc1C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000521427089 262329009 /nfs/dbraw/zinc/32/90/09/262329009.db2.gz ZGNPDXSNRAXBSJ-QLFBSQMISA-N 2 2 293.411 0.950 20 0 CCADLP COc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c(C)n1 ZINC000575233657 335086098 /nfs/dbraw/zinc/08/60/98/335086098.db2.gz UHWBXNGGWJSRGP-LLVKDONJSA-N 2 2 293.371 0.505 20 0 CCADLP COc1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c(C)n1 ZINC000575233657 335086099 /nfs/dbraw/zinc/08/60/99/335086099.db2.gz UHWBXNGGWJSRGP-LLVKDONJSA-N 2 2 293.371 0.505 20 0 CCADLP CCN(C)C(=O)[C@@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000231841602 276067475 /nfs/dbraw/zinc/06/74/75/276067475.db2.gz BHKNXZULPONRMZ-SNVBAGLBSA-N 2 2 267.377 0.443 20 0 CCADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NC(=O)NC)C1 ZINC000245464036 276073014 /nfs/dbraw/zinc/07/30/14/276073014.db2.gz XRSXPVFMYVTCPN-MNOVXSKESA-N 2 2 270.377 0.104 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NC(=O)NC)C1 ZINC000245464036 276073015 /nfs/dbraw/zinc/07/30/15/276073015.db2.gz XRSXPVFMYVTCPN-MNOVXSKESA-N 2 2 270.377 0.104 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)NC)C1 ZINC000245464036 276073016 /nfs/dbraw/zinc/07/30/16/276073016.db2.gz XRSXPVFMYVTCPN-MNOVXSKESA-N 2 2 270.377 0.104 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)NC)C1 ZINC000245464036 276073017 /nfs/dbraw/zinc/07/30/17/276073017.db2.gz XRSXPVFMYVTCPN-MNOVXSKESA-N 2 2 270.377 0.104 20 0 CCADLP CC[N@@H+]1CCCN(c2cc(NC[C@@H](C)O)[nH+]cn2)CC1 ZINC000298326559 276165135 /nfs/dbraw/zinc/16/51/35/276165135.db2.gz RSLABUQVXOLULH-GFCCVEGCSA-N 2 2 279.388 0.801 20 0 CCADLP CC[N@H+]1CCCN(c2cc(NC[C@@H](C)O)[nH+]cn2)CC1 ZINC000298326559 276165137 /nfs/dbraw/zinc/16/51/37/276165137.db2.gz RSLABUQVXOLULH-GFCCVEGCSA-N 2 2 279.388 0.801 20 0 CCADLP CCC[C@](C)(O)C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422977157 276292617 /nfs/dbraw/zinc/29/26/17/276292617.db2.gz JPMQFYKSMSMNAX-MCIONIFRSA-N 2 2 256.390 0.894 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430553879 276325167 /nfs/dbraw/zinc/32/51/67/276325167.db2.gz DWDWJXQEIXJGSI-VXGBXAGGSA-N 2 2 257.378 0.198 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430553879 276325168 /nfs/dbraw/zinc/32/51/68/276325168.db2.gz DWDWJXQEIXJGSI-VXGBXAGGSA-N 2 2 257.378 0.198 20 0 CCADLP CCO[C@H]1COCC[C@@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425348543 276360559 /nfs/dbraw/zinc/36/05/59/276360559.db2.gz YYNXJHLNNNXRRC-STQMWFEESA-N 2 2 282.388 0.770 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000430419088 276388986 /nfs/dbraw/zinc/38/89/86/276388986.db2.gz AGKMUGPKPGEYIH-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000430419088 276388987 /nfs/dbraw/zinc/38/89/87/276388987.db2.gz AGKMUGPKPGEYIH-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1c(C)noc1C ZINC000380486104 545084428 /nfs/dbraw/zinc/08/44/28/545084428.db2.gz BGQPRZGYMKSSKG-MFKMUULPSA-N 2 2 285.388 0.881 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1c(C)noc1C ZINC000380486104 545084429 /nfs/dbraw/zinc/08/44/29/545084429.db2.gz BGQPRZGYMKSSKG-MFKMUULPSA-N 2 2 285.388 0.881 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CCCOC3)C2)CC1 ZINC000369269107 277028933 /nfs/dbraw/zinc/02/89/33/277028933.db2.gz VQUGMSVEJPSULI-KBPBESRZSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CCCOC3)C2)CC1 ZINC000369269107 277028935 /nfs/dbraw/zinc/02/89/35/277028935.db2.gz VQUGMSVEJPSULI-KBPBESRZSA-N 2 2 295.427 0.698 20 0 CCADLP CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@@H]([NH3+])CC(C)C ZINC000414756424 277035262 /nfs/dbraw/zinc/03/52/62/277035262.db2.gz QTEGVMZRURGQLZ-RYUDHWBXSA-N 2 2 277.434 0.373 20 0 CCADLP CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@@H]([NH3+])CC(C)C ZINC000414756424 277035264 /nfs/dbraw/zinc/03/52/64/277035264.db2.gz QTEGVMZRURGQLZ-RYUDHWBXSA-N 2 2 277.434 0.373 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000354203555 277101439 /nfs/dbraw/zinc/10/14/39/277101439.db2.gz CBOYDVKHRNTKAN-STQMWFEESA-N 2 2 291.399 0.123 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000354203555 277101441 /nfs/dbraw/zinc/10/14/41/277101441.db2.gz CBOYDVKHRNTKAN-STQMWFEESA-N 2 2 291.399 0.123 20 0 CCADLP CC(C)[C@H](CO)C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423110943 277899234 /nfs/dbraw/zinc/89/92/34/277899234.db2.gz PODOZUJNUIQMAZ-MJBXVCDLSA-N 2 2 256.390 0.608 20 0 CCADLP C[C@@H](C(=O)N1CCCC[C@@H]1CC[NH3+])[NH+]1CCOCC1 ZINC000357362790 278189500 /nfs/dbraw/zinc/18/95/00/278189500.db2.gz HJAJMQFQJLUNAP-QWHCGFSZSA-N 2 2 269.389 0.437 20 0 CCADLP C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000333529259 278561973 /nfs/dbraw/zinc/56/19/73/278561973.db2.gz XUAKSVBPRFRJOY-KOLCDFICSA-N 2 2 265.361 0.100 20 0 CCADLP CCC[C@H]1C[NH2+]CCN1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000417027298 278958420 /nfs/dbraw/zinc/95/84/20/278958420.db2.gz MXTWLEBEPZONJS-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(O)CC[NH+](C)C1 ZINC000358250867 288103941 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/nfs/dbraw/zinc/38/69/36/303386936.db2.gz CSRNABLKIXZCRO-NSHDSACASA-N 2 2 275.356 0.583 20 0 CCADLP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000443065937 303386938 /nfs/dbraw/zinc/38/69/38/303386938.db2.gz CSRNABLKIXZCRO-NSHDSACASA-N 2 2 275.356 0.583 20 0 CCADLP [NH3+]C[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C1CC1 ZINC000333702910 303392391 /nfs/dbraw/zinc/39/23/91/303392391.db2.gz RBZUDHULAHMFRO-ZIAGYGMSSA-N 2 2 296.415 0.230 20 0 CCADLP C[NH+](C)[C@]1(CNC(=O)Cn2cc[nH+]c2)CCSC1 ZINC000574909685 327638058 /nfs/dbraw/zinc/63/80/58/327638058.db2.gz MBHFXEXPBUCCLA-LBPRGKRZSA-N 2 2 268.386 0.437 20 0 CCADLP C[C@H](CCCCO)[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000582062927 327827138 /nfs/dbraw/zinc/82/71/38/327827138.db2.gz HCIDNZIOYWRHAE-TUVASFSCSA-N 2 2 288.432 0.597 20 0 CCADLP CN(C(=O)[C@H]([NH3+])c1cscn1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000575991063 327007070 /nfs/dbraw/zinc/00/70/70/327007070.db2.gz HMYMQVCJTRMDIW-ZYHUDNBSSA-N 2 2 280.397 0.838 20 0 CCADLP CN(C(=O)[C@H]([NH3+])c1cscn1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000575991063 327007071 /nfs/dbraw/zinc/00/70/71/327007071.db2.gz HMYMQVCJTRMDIW-ZYHUDNBSSA-N 2 2 280.397 0.838 20 0 CCADLP CC(C)[C@H](O)C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000578237183 327312365 /nfs/dbraw/zinc/31/23/65/327312365.db2.gz CGLIWNRAUKMJNK-XJFOESAGSA-N 2 2 274.405 0.063 20 0 CCADLP CC(C)[C@H](O)C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000578237183 327312367 /nfs/dbraw/zinc/31/23/67/327312367.db2.gz CGLIWNRAUKMJNK-XJFOESAGSA-N 2 2 274.405 0.063 20 0 CCADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000387569115 327353705 /nfs/dbraw/zinc/35/37/05/327353705.db2.gz IKRFVIRHWUBIFP-KGLIPLIRSA-N 2 2 297.443 0.944 20 0 CCADLP COCC[NH2+]C1CC[NH+]([C@@H](C)C(=O)N(C)C(C)C)CC1 ZINC000584355948 328737048 /nfs/dbraw/zinc/73/70/48/328737048.db2.gz SCIILXXIINOFCC-ZDUSSCGKSA-N 2 2 285.432 0.942 20 0 CCADLP Cn1ncc2c1nc(N)[nH+]c2N1CCC(n2cc[nH+]c2)CC1 ZINC000582617409 329118347 /nfs/dbraw/zinc/11/83/47/329118347.db2.gz VVFBXXPCGNWMPF-UHFFFAOYSA-N 2 2 298.354 0.814 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@@H](C)CCS(C)(=O)=O)n1C ZINC000582676184 329124094 /nfs/dbraw/zinc/12/40/94/329124094.db2.gz DWDONSKTYUGEOR-VIFPVBQESA-N 2 2 259.375 0.641 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000582734490 329133554 /nfs/dbraw/zinc/13/35/54/329133554.db2.gz YYYICPPLIFLCCM-KGLIPLIRSA-N 2 2 283.416 0.386 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000582734490 329133557 /nfs/dbraw/zinc/13/35/57/329133557.db2.gz YYYICPPLIFLCCM-KGLIPLIRSA-N 2 2 283.416 0.386 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000582734490 329133558 /nfs/dbraw/zinc/13/35/58/329133558.db2.gz YYYICPPLIFLCCM-KGLIPLIRSA-N 2 2 283.416 0.386 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000582734490 329133560 /nfs/dbraw/zinc/13/35/60/329133560.db2.gz YYYICPPLIFLCCM-KGLIPLIRSA-N 2 2 283.416 0.386 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000583062985 329309112 /nfs/dbraw/zinc/30/91/12/329309112.db2.gz JAJQTBJZHCPNLM-HNNXBMFYSA-N 2 2 278.400 0.988 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000583062985 329309113 /nfs/dbraw/zinc/30/91/13/329309113.db2.gz JAJQTBJZHCPNLM-HNNXBMFYSA-N 2 2 278.400 0.988 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000583062986 329309223 /nfs/dbraw/zinc/30/92/23/329309223.db2.gz JAJQTBJZHCPNLM-OAHLLOKOSA-N 2 2 278.400 0.988 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000583062986 329309224 /nfs/dbraw/zinc/30/92/24/329309224.db2.gz JAJQTBJZHCPNLM-OAHLLOKOSA-N 2 2 278.400 0.988 20 0 CCADLP COc1c(N)[nH+]cnc1NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000583154090 329323783 /nfs/dbraw/zinc/32/37/83/329323783.db2.gz XPIGYMJXDBWROB-QWRGUYRKSA-N 2 2 295.387 0.401 20 0 CCADLP COc1c(N)nc[nH+]c1NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000583154090 329323784 /nfs/dbraw/zinc/32/37/84/329323784.db2.gz XPIGYMJXDBWROB-QWRGUYRKSA-N 2 2 295.387 0.401 20 0 CCADLP CC(C)[C@]1(C)C[C@H]1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000575354850 335097087 /nfs/dbraw/zinc/09/70/87/335097087.db2.gz KLZXCDYZFCTHQI-SCRDCRAPSA-N 2 2 268.405 0.705 20 0 CCADLP CC(C)[C@]1(C)C[C@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000575354850 335097088 /nfs/dbraw/zinc/09/70/88/335097088.db2.gz KLZXCDYZFCTHQI-SCRDCRAPSA-N 2 2 268.405 0.705 20 0 CCADLP C[NH+](C)CCCCC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000575401536 335100969 /nfs/dbraw/zinc/10/09/69/335100969.db2.gz NFDSDOYJFRCAPE-UHFFFAOYSA-N 2 2 298.431 0.126 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]CCC(C)(C)S(C)(=O)=O)C1CC1 ZINC000576101085 335153740 /nfs/dbraw/zinc/15/37/40/335153740.db2.gz LJTZRADVZXSOGD-GFCCVEGCSA-N 2 2 292.445 0.244 20 0 CCADLP C[C@H](CNC(=O)CC(F)(F)C[NH3+])Cn1cc[nH+]c1 ZINC000576355768 335193736 /nfs/dbraw/zinc/19/37/36/335193736.db2.gz HTLODZNNGUJWAM-SECBINFHSA-N 2 2 260.288 0.620 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCCC(F)(F)[C@H]1O)C1CC1 ZINC000576227447 335174048 /nfs/dbraw/zinc/17/40/48/335174048.db2.gz VNNZVGBEVURQNF-TUAOUCFPSA-N 2 2 278.343 0.580 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCCC(F)(F)[C@H]1O)C1CC1 ZINC000576227447 335174049 /nfs/dbraw/zinc/17/40/49/335174049.db2.gz VNNZVGBEVURQNF-TUAOUCFPSA-N 2 2 278.343 0.580 20 0 CCADLP CS(=O)(=O)CC1(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000576346321 335191978 /nfs/dbraw/zinc/19/19/78/335191978.db2.gz MSWCOEGGDKYGCC-NEPJUHHUSA-N 2 2 272.414 0.495 20 0 CCADLP CS(=O)(=O)CC1(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000576346321 335191980 /nfs/dbraw/zinc/19/19/80/335191980.db2.gz MSWCOEGGDKYGCC-NEPJUHHUSA-N 2 2 272.414 0.495 20 0 CCADLP CC[C@@H]1C[C@H]1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000580540802 335203895 /nfs/dbraw/zinc/20/38/95/335203895.db2.gz QZBOSFNWLBYKTB-WOPDTQHZSA-N 2 2 254.378 0.317 20 0 CCADLP CC[C@@H]1C[C@H]1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000580540802 335203897 /nfs/dbraw/zinc/20/38/97/335203897.db2.gz QZBOSFNWLBYKTB-WOPDTQHZSA-N 2 2 254.378 0.317 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000576928791 335264783 /nfs/dbraw/zinc/26/47/83/335264783.db2.gz QFXSPYJSUMSIQJ-CHWSQXEVSA-N 2 2 269.389 0.042 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000576928791 335264784 /nfs/dbraw/zinc/26/47/84/335264784.db2.gz QFXSPYJSUMSIQJ-CHWSQXEVSA-N 2 2 269.389 0.042 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000576928791 335264786 /nfs/dbraw/zinc/26/47/86/335264786.db2.gz QFXSPYJSUMSIQJ-CHWSQXEVSA-N 2 2 269.389 0.042 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000576928791 335264787 /nfs/dbraw/zinc/26/47/87/335264787.db2.gz QFXSPYJSUMSIQJ-CHWSQXEVSA-N 2 2 269.389 0.042 20 0 CCADLP Cc1nc(N2CCN(C(=O)C3CC[NH2+]CC3)CC2)cc[nH+]1 ZINC000580549511 335276821 /nfs/dbraw/zinc/27/68/21/335276821.db2.gz PCFCUJKGBVPHLS-UHFFFAOYSA-N 2 2 289.383 0.433 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCCC2CCOCC2)[C@H](C[NH3+])C1 ZINC000577047830 335289473 /nfs/dbraw/zinc/28/94/73/335289473.db2.gz UNBISTMRVGNMBI-CQSZACIVSA-N 2 2 298.431 0.478 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCCC2CCOCC2)[C@H](C[NH3+])C1 ZINC000577047830 335289474 /nfs/dbraw/zinc/28/94/74/335289474.db2.gz UNBISTMRVGNMBI-CQSZACIVSA-N 2 2 298.431 0.478 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CC2=CCOCC2)C[C@H](C)O1 ZINC000577099114 335299865 /nfs/dbraw/zinc/29/98/65/335299865.db2.gz WRUQHPWYBKHDIY-VNHYZAJKSA-N 2 2 284.400 0.393 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CC2=CCOCC2)C[C@H](C)O1 ZINC000577099114 335299866 /nfs/dbraw/zinc/29/98/66/335299866.db2.gz WRUQHPWYBKHDIY-VNHYZAJKSA-N 2 2 284.400 0.393 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3cccc(F)c3)CCN2C1=O ZINC000577124953 335304940 /nfs/dbraw/zinc/30/49/40/335304940.db2.gz KIWJXXRAMXQCBW-CHWSQXEVSA-N 2 2 263.316 0.570 20 0 CCADLP CC[NH+]1CCN(CC(C)(C)NC(=O)Cn2cc[nH+]c2)CC1 ZINC000580652547 335312024 /nfs/dbraw/zinc/31/20/24/335312024.db2.gz IOUFRNDQAZYEIY-UHFFFAOYSA-N 2 2 293.415 0.415 20 0 CCADLP CC(C)c1nc(N2C[C@@H](C)[C@H]([NH3+])C2)nc(N(C)C)[nH+]1 ZINC000577270717 335332543 /nfs/dbraw/zinc/33/25/43/335332543.db2.gz XIJNOBPEIWMDHC-NXEZZACHSA-N 2 2 264.377 0.844 20 0 CCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000577274874 335333199 /nfs/dbraw/zinc/33/31/99/335333199.db2.gz YORFZMCKXPJNFJ-ABAIWWIYSA-N 2 2 274.368 0.930 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](n2ccnn2)C1 ZINC000577408741 335349817 /nfs/dbraw/zinc/34/98/17/335349817.db2.gz FSZRQUAVLQUBGI-QWHCGFSZSA-N 2 2 267.377 0.228 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](n2ccnn2)C1 ZINC000577408741 335349819 /nfs/dbraw/zinc/34/98/19/335349819.db2.gz FSZRQUAVLQUBGI-QWHCGFSZSA-N 2 2 267.377 0.228 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000577408741 335349820 /nfs/dbraw/zinc/34/98/20/335349820.db2.gz FSZRQUAVLQUBGI-QWHCGFSZSA-N 2 2 267.377 0.228 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000577408741 335349822 /nfs/dbraw/zinc/34/98/22/335349822.db2.gz FSZRQUAVLQUBGI-QWHCGFSZSA-N 2 2 267.377 0.228 20 0 CCADLP C[C@@H]1CCC[C@H](OCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000577491283 335358394 /nfs/dbraw/zinc/35/83/94/335358394.db2.gz MZTPRXMKLZXRLZ-RDBSUJKOSA-N 2 2 283.416 0.683 20 0 CCADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1(C(N)=O)CC1 ZINC000577810679 335403402 /nfs/dbraw/zinc/40/34/02/335403402.db2.gz LHMVBEUYOSYCDP-UHFFFAOYSA-N 2 2 271.324 0.683 20 0 CCADLP CN1CC[NH2+]C[C@H]1CN[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000577840180 335409385 /nfs/dbraw/zinc/40/93/85/335409385.db2.gz UOZKEIHMODOFTD-LSDHHAIUSA-N 2 2 285.395 0.992 20 0 CCADLP C[C@H](CC(=O)N[C@@H](C)C[NH+]1CCOCC1)n1cc[nH+]c1 ZINC000578197822 335553808 /nfs/dbraw/zinc/55/38/08/335553808.db2.gz ZRBRYWKAEGHWQP-QWHCGFSZSA-N 2 2 280.372 0.671 20 0 CCADLP CC(C)c1nc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc[nH+]1 ZINC000579613348 335822807 /nfs/dbraw/zinc/82/28/07/335822807.db2.gz MJJKLUNSENODBC-GHMZBOCLSA-N 2 2 275.356 0.348 20 0 CCADLP COC[C@@]1(CNC(=O)Nc2cc[nH+]cc2C)CCC[NH2+]1 ZINC000581059944 336002034 /nfs/dbraw/zinc/00/20/34/336002034.db2.gz QQYVPUDLEDJJID-AWEZNQCLSA-N 2 2 278.356 0.702 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1C[C@@H](C)O ZINC000380604196 336003832 /nfs/dbraw/zinc/00/38/32/336003832.db2.gz CPEIPJYGNCNEBQ-ILXRZTDVSA-N 2 2 288.432 0.551 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1C[C@@H](C)O ZINC000380604196 336003834 /nfs/dbraw/zinc/00/38/34/336003834.db2.gz CPEIPJYGNCNEBQ-ILXRZTDVSA-N 2 2 288.432 0.551 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1C[C@@H](C)O ZINC000380604196 336003835 /nfs/dbraw/zinc/00/38/35/336003835.db2.gz CPEIPJYGNCNEBQ-ILXRZTDVSA-N 2 2 288.432 0.551 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1C[C@@H](C)O ZINC000380604196 336003837 /nfs/dbraw/zinc/00/38/37/336003837.db2.gz CPEIPJYGNCNEBQ-ILXRZTDVSA-N 2 2 288.432 0.551 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)c1ccccc1 ZINC000380608769 336007052 /nfs/dbraw/zinc/00/70/52/336007052.db2.gz GOZPFMSBVUHIPM-GJZGRUSLSA-N 2 2 282.384 0.249 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)c1ccccc1 ZINC000380608769 336007053 /nfs/dbraw/zinc/00/70/53/336007053.db2.gz GOZPFMSBVUHIPM-GJZGRUSLSA-N 2 2 282.384 0.249 20 0 CCADLP CCCC[C@H](COC)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000581121238 336011017 /nfs/dbraw/zinc/01/10/17/336011017.db2.gz WYCYTAASTMSULI-CHWSQXEVSA-N 2 2 286.420 0.476 20 0 CCADLP CCCC[C@H](COC)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000581121238 336011018 /nfs/dbraw/zinc/01/10/18/336011018.db2.gz WYCYTAASTMSULI-CHWSQXEVSA-N 2 2 286.420 0.476 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCCc3occc32)[C@@H](C[NH3+])C1 ZINC000581180393 336020049 /nfs/dbraw/zinc/02/00/49/336020049.db2.gz GCNMMXMWKAEEHG-WCQYABFASA-N 2 2 292.383 0.941 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCCc3occc32)[C@@H](C[NH3+])C1 ZINC000581180393 336020050 /nfs/dbraw/zinc/02/00/50/336020050.db2.gz GCNMMXMWKAEEHG-WCQYABFASA-N 2 2 292.383 0.941 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@H](CO)Cc1ccccc1)C1CC1 ZINC000380905004 336038925 /nfs/dbraw/zinc/03/89/25/336038925.db2.gz HLWJFFHRHQNDHY-GOEBONIOSA-N 2 2 278.396 0.635 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@H](CO)Cc1ccccc1)C1CC1 ZINC000380905004 336038926 /nfs/dbraw/zinc/03/89/26/336038926.db2.gz HLWJFFHRHQNDHY-GOEBONIOSA-N 2 2 278.396 0.635 20 0 CCADLP C[C@H](CNC(=O)C[C@H]1CCCC[C@H]1[NH3+])[NH+]1CCN(C)CC1 ZINC000581367621 336062254 /nfs/dbraw/zinc/06/22/54/336062254.db2.gz IVKSCXODAUZQRE-RBSFLKMASA-N 2 2 296.459 0.646 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)OC(C)(C)C1 ZINC000382268198 336085302 /nfs/dbraw/zinc/08/53/02/336085302.db2.gz BHAUKYOQWJUHKY-OLZOCXBDSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)OC(C)(C)C1 ZINC000382268198 336085303 /nfs/dbraw/zinc/08/53/03/336085303.db2.gz BHAUKYOQWJUHKY-OLZOCXBDSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000382268198 336085305 /nfs/dbraw/zinc/08/53/05/336085305.db2.gz BHAUKYOQWJUHKY-OLZOCXBDSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000382268198 336085306 /nfs/dbraw/zinc/08/53/06/336085306.db2.gz BHAUKYOQWJUHKY-OLZOCXBDSA-N 2 2 274.405 0.425 20 0 CCADLP CC(C)C[C@H](CNC(=O)[C@@H](C)[NH2+]C1CC1)[NH+]1CCOCC1 ZINC000382992416 336101149 /nfs/dbraw/zinc/10/11/49/336101149.db2.gz YVEORMSQMRTSOD-UKRRQHHQSA-N 2 2 297.443 0.990 20 0 CCADLP C[C@H](C(=O)N1CCCCC1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000385880313 336159236 /nfs/dbraw/zinc/15/92/36/336159236.db2.gz QDNXPBOABJOWBZ-HUUCEWRRSA-N 2 2 294.443 0.367 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC000581893371 336161941 /nfs/dbraw/zinc/16/19/41/336161941.db2.gz QBZLVZIBYJIESW-AWEZNQCLSA-N 2 2 297.443 0.897 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC000581893371 336161942 /nfs/dbraw/zinc/16/19/42/336161942.db2.gz QBZLVZIBYJIESW-AWEZNQCLSA-N 2 2 297.443 0.897 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000581893371 336161943 /nfs/dbraw/zinc/16/19/43/336161943.db2.gz QBZLVZIBYJIESW-AWEZNQCLSA-N 2 2 297.443 0.897 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC000581893371 336161944 /nfs/dbraw/zinc/16/19/44/336161944.db2.gz QBZLVZIBYJIESW-AWEZNQCLSA-N 2 2 297.443 0.897 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccoc1 ZINC000385945359 336162933 /nfs/dbraw/zinc/16/29/33/336162933.db2.gz MRBPHQANZHDXLU-ZDUSSCGKSA-N 2 2 256.346 0.651 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccoc1 ZINC000385945359 336162935 /nfs/dbraw/zinc/16/29/35/336162935.db2.gz MRBPHQANZHDXLU-ZDUSSCGKSA-N 2 2 256.346 0.651 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccoc1 ZINC000385945359 336162936 /nfs/dbraw/zinc/16/29/36/336162936.db2.gz MRBPHQANZHDXLU-ZDUSSCGKSA-N 2 2 256.346 0.651 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccoc1 ZINC000385945359 336162938 /nfs/dbraw/zinc/16/29/38/336162938.db2.gz MRBPHQANZHDXLU-ZDUSSCGKSA-N 2 2 256.346 0.651 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263175485 535486013 /nfs/dbraw/zinc/48/60/13/535486013.db2.gz GDOWGZUUXPAMBB-MNOVXSKESA-N 2 2 275.343 0.974 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263175485 535486018 /nfs/dbraw/zinc/48/60/18/535486018.db2.gz GDOWGZUUXPAMBB-MNOVXSKESA-N 2 2 275.343 0.974 20 0 CCADLP CCO[C@@H]1CN(Cc2[nH+]ccc(OC)c2OC)C[C@H]1C[NH3+] ZINC000405751218 545092600 /nfs/dbraw/zinc/09/26/00/545092600.db2.gz CXUNZGNVWYOSLP-BXUZGUMPSA-N 2 2 295.383 0.894 20 0 CCADLP CCO[C@@H]1C[N@H+](Cc2nccc(OC)c2OC)C[C@H]1C[NH3+] ZINC000405751218 545092601 /nfs/dbraw/zinc/09/26/01/545092601.db2.gz CXUNZGNVWYOSLP-BXUZGUMPSA-N 2 2 295.383 0.894 20 0 CCADLP CCO[C@@H]1C[N@@H+](Cc2nccc(OC)c2OC)C[C@H]1C[NH3+] ZINC000405751218 545092602 /nfs/dbraw/zinc/09/26/02/545092602.db2.gz CXUNZGNVWYOSLP-BXUZGUMPSA-N 2 2 295.383 0.894 20 0 CCADLP C[C@@H](C[NH3+])CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000418476647 533760574 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CC(=O)NC[C@@H]1C[N@H+](CCn2cc[nH+]c2C)CCO1 ZINC000346269086 534476091 /nfs/dbraw/zinc/47/60/91/534476091.db2.gz BOWJEIRBCJAXKN-CYBMUJFWSA-N 2 2 266.345 0.028 20 0 CCADLP CC(=O)NC[C@@H]1C[N@@H+](CCn2cc[nH+]c2C)CCO1 ZINC000346269086 534476094 /nfs/dbraw/zinc/47/60/94/534476094.db2.gz BOWJEIRBCJAXKN-CYBMUJFWSA-N 2 2 266.345 0.028 20 0 CCADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCn2cc[nH+]c2)C1(C)C ZINC000157099207 520395042 /nfs/dbraw/zinc/39/50/42/520395042.db2.gz YTODBBADPKXKBS-BXUZGUMPSA-N 2 2 280.372 0.532 20 0 CCADLP [NH3+]CC(F)(F)CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000417926985 534580570 /nfs/dbraw/zinc/58/05/70/534580570.db2.gz PNWZXNWWEKHUNB-SNVBAGLBSA-N 2 2 299.325 0.554 20 0 CCADLP [NH3+]CCNC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000418292717 534631764 /nfs/dbraw/zinc/63/17/64/534631764.db2.gz DFUCQOVHIWTIRA-UHFFFAOYSA-N 2 2 280.347 0.612 20 0 CCADLP O=C(NCc1ccccc1-n1cc[nH+]c1)[C@@H]1COCC[NH2+]1 ZINC000423738062 534680227 /nfs/dbraw/zinc/68/02/27/534680227.db2.gz BKMIUROKJMJPTH-ZDUSSCGKSA-N 2 2 286.335 0.477 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261649542 534708818 /nfs/dbraw/zinc/70/88/18/534708818.db2.gz YAGYUAZCVMDLBD-CYBMUJFWSA-N 2 2 270.377 0.281 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261649542 534708825 /nfs/dbraw/zinc/70/88/25/534708825.db2.gz YAGYUAZCVMDLBD-CYBMUJFWSA-N 2 2 270.377 0.281 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424190510 534715097 /nfs/dbraw/zinc/71/50/97/534715097.db2.gz MLXHBSDKFVMHEH-HBNTYKKESA-N 2 2 275.343 0.865 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000423751410 534715600 /nfs/dbraw/zinc/71/56/00/534715600.db2.gz FIZANIGWYCXUAO-FPMFFAJLSA-N 2 2 281.400 0.483 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000423751410 534715603 /nfs/dbraw/zinc/71/56/03/534715603.db2.gz FIZANIGWYCXUAO-FPMFFAJLSA-N 2 2 281.400 0.483 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000061799894 524043758 /nfs/dbraw/zinc/04/37/58/524043758.db2.gz DUUDOXYYOHIENW-UHFFFAOYSA-N 2 2 261.369 0.892 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@H]3CCC[NH2+]3)CC2)cc[nH+]1 ZINC000423792042 534757247 /nfs/dbraw/zinc/75/72/47/534757247.db2.gz YZFCFLJGLRFVOP-GFCCVEGCSA-N 2 2 275.356 0.186 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000342607250 534773465 /nfs/dbraw/zinc/77/34/65/534773465.db2.gz PTLIDNVCUUGRQE-ZYHUDNBSSA-N 2 2 250.346 0.777 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000342607250 534773470 /nfs/dbraw/zinc/77/34/70/534773470.db2.gz PTLIDNVCUUGRQE-ZYHUDNBSSA-N 2 2 250.346 0.777 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C[NH+](C)C ZINC000341270396 524439777 /nfs/dbraw/zinc/43/97/77/524439777.db2.gz WQFHGOQAJCBMLR-VXGBXAGGSA-N 2 2 264.373 0.759 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000156746412 525015190 /nfs/dbraw/zinc/01/51/90/525015190.db2.gz DJECNKFRHVJEOC-WDEREUQCSA-N 2 2 257.378 0.197 20 0 CCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1c(F)cncc1F ZINC000353218755 525302405 /nfs/dbraw/zinc/30/24/05/525302405.db2.gz KCJPYOKCTQVVLP-JTQLQIEISA-N 2 2 298.337 0.784 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)CN(C)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000660648506 545103282 /nfs/dbraw/zinc/10/32/82/545103282.db2.gz UCTHXMDYCASUQY-KFWWJZLASA-N 2 2 285.432 0.092 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)CN(C)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000660648506 545103283 /nfs/dbraw/zinc/10/32/83/545103283.db2.gz UCTHXMDYCASUQY-KFWWJZLASA-N 2 2 285.432 0.092 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)CN(C)[C@@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000660648506 545103284 /nfs/dbraw/zinc/10/32/84/545103284.db2.gz UCTHXMDYCASUQY-KFWWJZLASA-N 2 2 285.432 0.092 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)CN(C)[C@@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000660648506 545103285 /nfs/dbraw/zinc/10/32/85/545103285.db2.gz UCTHXMDYCASUQY-KFWWJZLASA-N 2 2 285.432 0.092 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000660648506 545103286 /nfs/dbraw/zinc/10/32/86/545103286.db2.gz UCTHXMDYCASUQY-KFWWJZLASA-N 2 2 285.432 0.092 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000660648506 545103287 /nfs/dbraw/zinc/10/32/87/545103287.db2.gz UCTHXMDYCASUQY-KFWWJZLASA-N 2 2 285.432 0.092 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000660648506 545103288 /nfs/dbraw/zinc/10/32/88/545103288.db2.gz UCTHXMDYCASUQY-KFWWJZLASA-N 2 2 285.432 0.092 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000660648506 545103289 /nfs/dbraw/zinc/10/32/89/545103289.db2.gz UCTHXMDYCASUQY-KFWWJZLASA-N 2 2 285.432 0.092 20 0 CCADLP C[C@H]([C@H](C)NC(=O)C12CCC[NH+]1CCC2)[NH+]1CCOCC1 ZINC000366180031 526025051 /nfs/dbraw/zinc/02/50/51/526025051.db2.gz IODNGGZFAHURAA-UONOGXRCSA-N 2 2 295.427 0.840 20 0 CCADLP CC(C)(CO)[NH+]1CCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000665701390 545103864 /nfs/dbraw/zinc/10/38/64/545103864.db2.gz RDZYKLWWNYPHOC-UHFFFAOYSA-N 2 2 293.371 0.174 20 0 CCADLP C[C@@H](CNc1nc[nH+]c2c1OCCN2)C[NH+]1CCOCC1 ZINC000665701956 545104036 /nfs/dbraw/zinc/10/40/36/545104036.db2.gz NAJXRJNSTZZIBU-NSHDSACASA-N 2 2 293.371 0.661 20 0 CCADLP CN(CC[N@H+](C)C1CC1)c1nc[nH+]c2c1OCCN2 ZINC000665711980 545104433 /nfs/dbraw/zinc/10/44/33/545104433.db2.gz QAFLEIJWWMYSJP-UHFFFAOYSA-N 2 2 263.345 0.811 20 0 CCADLP CN(CC[N@@H+](C)C1CC1)c1nc[nH+]c2c1OCCN2 ZINC000665711980 545104434 /nfs/dbraw/zinc/10/44/34/545104434.db2.gz QAFLEIJWWMYSJP-UHFFFAOYSA-N 2 2 263.345 0.811 20 0 CCADLP C[N@H+](CCCCNc1[nH+]cnc2c1OCCN2)C1CC1 ZINC000665724461 545105838 /nfs/dbraw/zinc/10/58/38/545105838.db2.gz ALTWUNLGKBEDRO-UHFFFAOYSA-N 2 2 277.372 0.680 20 0 CCADLP C[N@@H+](CCCCNc1[nH+]cnc2c1OCCN2)C1CC1 ZINC000665724461 545105839 /nfs/dbraw/zinc/10/58/39/545105839.db2.gz ALTWUNLGKBEDRO-UHFFFAOYSA-N 2 2 277.372 0.680 20 0 CCADLP C[N@H+](CCCCNc1nc[nH+]c2c1OCCN2)C1CC1 ZINC000665724461 545105840 /nfs/dbraw/zinc/10/58/40/545105840.db2.gz ALTWUNLGKBEDRO-UHFFFAOYSA-N 2 2 277.372 0.680 20 0 CCADLP C[N@@H+](CCCCNc1nc[nH+]c2c1OCCN2)C1CC1 ZINC000665724461 545105841 /nfs/dbraw/zinc/10/58/41/545105841.db2.gz ALTWUNLGKBEDRO-UHFFFAOYSA-N 2 2 277.372 0.680 20 0 CCADLP c1cn(-c2ccc(C[N@@H+]3CCN4CCOC[C@@H]4C3)cn2)c[nH+]1 ZINC000368819047 526523275 /nfs/dbraw/zinc/52/32/75/526523275.db2.gz RNYOUYCZYKROLH-HNNXBMFYSA-N 2 2 299.378 0.784 20 0 CCADLP c1cn(-c2ccc(C[N@H+]3CCN4CCOC[C@@H]4C3)cn2)c[nH+]1 ZINC000368819047 526523281 /nfs/dbraw/zinc/52/32/81/526523281.db2.gz RNYOUYCZYKROLH-HNNXBMFYSA-N 2 2 299.378 0.784 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000515490840 536468694 /nfs/dbraw/zinc/46/86/94/536468694.db2.gz UQHQERHYCNKIJE-CABCVRRESA-N 3 2 269.433 0.621 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000515490840 536468696 /nfs/dbraw/zinc/46/86/96/536468696.db2.gz UQHQERHYCNKIJE-CABCVRRESA-N 3 2 269.433 0.621 20 0 CCADLP C[NH2+]C[C@](C)(O)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000515490840 536468697 /nfs/dbraw/zinc/46/86/97/536468697.db2.gz UQHQERHYCNKIJE-CABCVRRESA-N 3 2 269.433 0.621 20 0 CCADLP C[NH2+]C[C@](C)(O)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000515490840 536468700 /nfs/dbraw/zinc/46/87/00/536468700.db2.gz UQHQERHYCNKIJE-CABCVRRESA-N 3 2 269.433 0.621 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)N1CCOCC1 ZINC000150770538 526799148 /nfs/dbraw/zinc/79/91/48/526799148.db2.gz UIVOEEWOINUWRK-AWEZNQCLSA-N 2 2 281.400 0.263 20 0 CCADLP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)N1CCOCC1 ZINC000150770538 526799153 /nfs/dbraw/zinc/79/91/53/526799153.db2.gz UIVOEEWOINUWRK-AWEZNQCLSA-N 2 2 281.400 0.263 20 0 CCADLP COCC[NH2+]CC[NH2+]Cc1ccccc1-n1cncn1 ZINC000666823112 545131947 /nfs/dbraw/zinc/13/19/47/545131947.db2.gz MUCRULRHXNAJEC-UHFFFAOYSA-N 2 2 275.356 0.593 20 0 CCADLP CC(C)(CNC(=O)NC1(C)CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000416832215 527125255 /nfs/dbraw/zinc/12/52/55/527125255.db2.gz UOIICPBCPHWUSP-UHFFFAOYSA-N 2 2 298.431 0.539 20 0 CCADLP Cc1[nH+]c2ccccn2c1CN1CCO[C@H](C[NH3+])C1 ZINC000357941342 527178386 /nfs/dbraw/zinc/17/83/86/527178386.db2.gz INVGDWGEEHGMKN-GFCCVEGCSA-N 2 2 260.341 0.802 20 0 CCADLP Cc1ncc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cn1 ZINC000340403164 527272463 /nfs/dbraw/zinc/27/24/63/527272463.db2.gz LIKNZHDJQZLNPK-ZDUSSCGKSA-N 2 2 250.346 0.331 20 0 CCADLP COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000668075559 545162641 /nfs/dbraw/zinc/16/26/41/545162641.db2.gz VHVOEPQXNLKKCB-ZFWWWQNUSA-N 2 2 297.399 0.574 20 0 CCADLP COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000668075559 545162642 /nfs/dbraw/zinc/16/26/42/545162642.db2.gz VHVOEPQXNLKKCB-ZFWWWQNUSA-N 2 2 297.399 0.574 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCn2cncn2)C1 ZINC000365662942 527456724 /nfs/dbraw/zinc/45/67/24/527456724.db2.gz KMAOUYXKNPRALQ-GFCCVEGCSA-N 2 2 260.345 0.891 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC000365662942 527456730 /nfs/dbraw/zinc/45/67/30/527456730.db2.gz KMAOUYXKNPRALQ-GFCCVEGCSA-N 2 2 260.345 0.891 20 0 CCADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)n1C ZINC000668238334 545169090 /nfs/dbraw/zinc/16/90/90/545169090.db2.gz OJLLSDATXKBALQ-LLVKDONJSA-N 2 2 250.346 0.639 20 0 CCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)n1C ZINC000668238334 545169091 /nfs/dbraw/zinc/16/90/91/545169091.db2.gz OJLLSDATXKBALQ-LLVKDONJSA-N 2 2 250.346 0.639 20 0 CCADLP NC(=O)C[C@@]1(O)CCC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668258091 545169829 /nfs/dbraw/zinc/16/98/29/545169829.db2.gz YKGJEDVIMBEVJD-AWEZNQCLSA-N 2 2 278.356 0.032 20 0 CCADLP NC(=O)C[C@@]1(O)CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668258091 545169830 /nfs/dbraw/zinc/16/98/30/545169830.db2.gz YKGJEDVIMBEVJD-AWEZNQCLSA-N 2 2 278.356 0.032 20 0 CCADLP COCCOCC[NH+]1CCN(Cc2c[nH+]c(C)n2C)CC1 ZINC000668291087 545171398 /nfs/dbraw/zinc/17/13/98/545171398.db2.gz DSLCDXVLYMFCGJ-UHFFFAOYSA-N 2 2 296.415 0.509 20 0 CCADLP C[NH+](C)C1(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000668379003 545175964 /nfs/dbraw/zinc/17/59/64/545175964.db2.gz YWGANCFVABNGOC-OLZOCXBDSA-N 2 2 281.400 0.138 20 0 CCADLP Cc1[nH+]cc(CN2CC[NH+]([C@@H]3CCOC3)CC2)n1C ZINC000668536227 545180876 /nfs/dbraw/zinc/18/08/76/545180876.db2.gz PQLBNOSKLBDLOI-CYBMUJFWSA-N 2 2 264.373 0.635 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@H](C)[C@H]1O ZINC000668553717 545181814 /nfs/dbraw/zinc/18/18/14/545181814.db2.gz HFTNWOZMHNRNOU-PJXYFTJBSA-N 2 2 266.389 0.935 20 0 CCADLP C[C@@H]1C[N@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@H](C)[C@H]1O ZINC000668553717 545181815 /nfs/dbraw/zinc/18/18/15/545181815.db2.gz HFTNWOZMHNRNOU-PJXYFTJBSA-N 2 2 266.389 0.935 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000358514672 527718273 /nfs/dbraw/zinc/71/82/73/527718273.db2.gz FWVGQQXRDLKBIL-CHWSQXEVSA-N 2 2 269.389 0.117 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000358514672 527718274 /nfs/dbraw/zinc/71/82/74/527718274.db2.gz FWVGQQXRDLKBIL-CHWSQXEVSA-N 2 2 269.389 0.117 20 0 CCADLP CC(C)[C@@H](CNC(=O)C1([NH+](C)C)CC1)N1CC[NH+](C)CC1 ZINC000668670908 545186605 /nfs/dbraw/zinc/18/66/05/545186605.db2.gz NIUUSUVNIZSRJS-CQSZACIVSA-N 2 2 296.459 0.469 20 0 CCADLP CC(C)[C@@H](CNC(=O)C1([NH+](C)C)CC1)[NH+]1CCN(C)CC1 ZINC000668670908 545186606 /nfs/dbraw/zinc/18/66/06/545186606.db2.gz NIUUSUVNIZSRJS-CQSZACIVSA-N 2 2 296.459 0.469 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H](O)C1CC1 ZINC000668690703 545187608 /nfs/dbraw/zinc/18/76/08/545187608.db2.gz ZLHMMROAIGOHAO-CQSZACIVSA-N 2 2 283.416 0.242 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H](O)C1CC1 ZINC000668690703 545187609 /nfs/dbraw/zinc/18/76/09/545187609.db2.gz ZLHMMROAIGOHAO-CQSZACIVSA-N 2 2 283.416 0.242 20 0 CCADLP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3cnn4c3CCC4)CC2)C1 ZINC000668739578 545189359 /nfs/dbraw/zinc/18/93/59/545189359.db2.gz NEISARYMIZDRSD-HNNXBMFYSA-N 2 2 290.411 0.860 20 0 CCADLP O[C@H]1CC[N@H+](C2CC[NH+](Cc3cnn4c3CCC4)CC2)C1 ZINC000668739578 545189360 /nfs/dbraw/zinc/18/93/60/545189360.db2.gz NEISARYMIZDRSD-HNNXBMFYSA-N 2 2 290.411 0.860 20 0 CCADLP Cc1n[nH]cc1C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668741378 545189399 /nfs/dbraw/zinc/18/93/99/545189399.db2.gz RHFJPTVTJPTGTF-AWEZNQCLSA-N 2 2 264.373 0.749 20 0 CCADLP Cc1n[nH]cc1C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668741378 545189400 /nfs/dbraw/zinc/18/94/00/545189400.db2.gz RHFJPTVTJPTGTF-AWEZNQCLSA-N 2 2 264.373 0.749 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC000412873323 527791262 /nfs/dbraw/zinc/79/12/62/527791262.db2.gz HNBWIJFUJPDWGA-UKRRQHHQSA-N 2 2 295.427 0.840 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC000412873323 527791266 /nfs/dbraw/zinc/79/12/66/527791266.db2.gz HNBWIJFUJPDWGA-UKRRQHHQSA-N 2 2 295.427 0.840 20 0 CCADLP CC[NH+]1CC[C@@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000412873323 527791274 /nfs/dbraw/zinc/79/12/74/527791274.db2.gz HNBWIJFUJPDWGA-UKRRQHHQSA-N 2 2 295.427 0.840 20 0 CCADLP CC[NH+]1CC[C@@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000412873323 527791280 /nfs/dbraw/zinc/79/12/80/527791280.db2.gz HNBWIJFUJPDWGA-UKRRQHHQSA-N 2 2 295.427 0.840 20 0 CCADLP c1cc(C[N@@H+]2CCc3nn[nH]c3C2)n(-c2cc[nH+]cc2)n1 ZINC000668789776 545190546 /nfs/dbraw/zinc/19/05/46/545190546.db2.gz FCXWWEQUBCIAGL-UHFFFAOYSA-N 2 2 281.323 0.944 20 0 CCADLP c1cc(C[N@H+]2CCc3nn[nH]c3C2)n(-c2cc[nH+]cc2)n1 ZINC000668789776 545190547 /nfs/dbraw/zinc/19/05/47/545190547.db2.gz FCXWWEQUBCIAGL-UHFFFAOYSA-N 2 2 281.323 0.944 20 0 CCADLP CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](C)OC ZINC000361573623 527898091 /nfs/dbraw/zinc/89/80/91/527898091.db2.gz MGURHDRXGNPMLM-GFCCVEGCSA-N 2 2 257.378 0.117 20 0 CCADLP CC[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](C)OC ZINC000361573623 527898092 /nfs/dbraw/zinc/89/80/92/527898092.db2.gz MGURHDRXGNPMLM-GFCCVEGCSA-N 2 2 257.378 0.117 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000423802963 527979917 /nfs/dbraw/zinc/97/99/17/527979917.db2.gz PELSUHPGBHAUIK-OLZOCXBDSA-N 2 2 269.389 0.211 20 0 CCADLP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000423802963 527979925 /nfs/dbraw/zinc/97/99/25/527979925.db2.gz PELSUHPGBHAUIK-OLZOCXBDSA-N 2 2 269.389 0.211 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+][C@@H]2CC(=O)N(C3CC3)C2)[C@@H](C)C1 ZINC000358386007 527992344 /nfs/dbraw/zinc/99/23/44/527992344.db2.gz SBCBFKAIYAOEHH-LOWVWBTDSA-N 2 2 251.374 0.680 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+][C@@H]2CC(=O)N(C3CC3)C2)[C@@H](C)C1 ZINC000358386007 527992350 /nfs/dbraw/zinc/99/23/50/527992350.db2.gz SBCBFKAIYAOEHH-LOWVWBTDSA-N 2 2 251.374 0.680 20 0 CCADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](C)C[C@H]1C[NH3+] ZINC000669589308 545215751 /nfs/dbraw/zinc/21/57/51/545215751.db2.gz QPEAIAWUZSMGNT-ZIAGYGMSSA-N 3 2 299.463 0.391 20 0 CCADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](C)C[C@H]1C[NH3+] ZINC000669589308 545215752 /nfs/dbraw/zinc/21/57/52/545215752.db2.gz QPEAIAWUZSMGNT-ZIAGYGMSSA-N 3 2 299.463 0.391 20 0 CCADLP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000669589308 545215753 /nfs/dbraw/zinc/21/57/53/545215753.db2.gz QPEAIAWUZSMGNT-ZIAGYGMSSA-N 3 2 299.463 0.391 20 0 CCADLP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000669589308 545215754 /nfs/dbraw/zinc/21/57/54/545215754.db2.gz QPEAIAWUZSMGNT-ZIAGYGMSSA-N 3 2 299.463 0.391 20 0 CCADLP C[C@@H](NC(=O)N1CC[NH2+]C(C)(C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000669538373 545213667 /nfs/dbraw/zinc/21/36/67/545213667.db2.gz NZGUCVJQFQJKSE-NEPJUHHUSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H](NC(=O)N1CC[NH2+]C(C)(C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000669538373 545213668 /nfs/dbraw/zinc/21/36/68/545213668.db2.gz NZGUCVJQFQJKSE-NEPJUHHUSA-N 2 2 284.404 0.099 20 0 CCADLP Cc1c[nH]nc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000669604071 545216464 /nfs/dbraw/zinc/21/64/64/545216464.db2.gz HKLNICSQSCWETL-GFCCVEGCSA-N 2 2 291.399 0.616 20 0 CCADLP Cc1c[nH]nc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000669604071 545216465 /nfs/dbraw/zinc/21/64/65/545216465.db2.gz HKLNICSQSCWETL-GFCCVEGCSA-N 2 2 291.399 0.616 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000418588413 528404555 /nfs/dbraw/zinc/40/45/55/528404555.db2.gz GDOLIUHEKKWWEM-RDBSUJKOSA-N 2 2 298.431 0.489 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000423684630 528479949 /nfs/dbraw/zinc/47/99/49/528479949.db2.gz RPGJDJGFRWWPJK-IJLUTSLNSA-N 2 2 257.378 0.339 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000423684630 528479954 /nfs/dbraw/zinc/47/99/54/528479954.db2.gz RPGJDJGFRWWPJK-IJLUTSLNSA-N 2 2 257.378 0.339 20 0 CCADLP CCOC1CC([NH2+][C@@H]2CCC[N@H+](CCCO)C2)C1 ZINC000449396895 528512445 /nfs/dbraw/zinc/51/24/45/528512445.db2.gz NCTZOIYQSNIRBY-IYXRBSQSSA-N 2 2 256.390 0.990 20 0 CCADLP CCOC1CC([NH2+][C@@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000449396895 528512448 /nfs/dbraw/zinc/51/24/48/528512448.db2.gz NCTZOIYQSNIRBY-IYXRBSQSSA-N 2 2 256.390 0.990 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000449125884 528535696 /nfs/dbraw/zinc/53/56/96/528535696.db2.gz RZRKYOJVEFVUMC-ZDUSSCGKSA-N 2 2 293.415 0.452 20 0 CCADLP CN(C)C(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670985160 545240821 /nfs/dbraw/zinc/24/08/21/545240821.db2.gz BGVZDVGEFVKVAK-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP CN(C)C(=O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670985160 545240822 /nfs/dbraw/zinc/24/08/22/545240822.db2.gz BGVZDVGEFVKVAK-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672147575 545263279 /nfs/dbraw/zinc/26/32/79/545263279.db2.gz QJUHNZUKJQGVST-NSHDSACASA-N 2 2 259.313 0.601 20 0 CCADLP C[N@H+](CC(=O)N[C@@H]1CCc2c[nH+]cn2C1)[C@H]1CCSC1 ZINC000672153175 545263334 /nfs/dbraw/zinc/26/33/34/545263334.db2.gz SXPULEUOIPMXQX-YPMHNXCESA-N 2 2 294.424 0.751 20 0 CCADLP C[N@@H+](CC(=O)N[C@@H]1CCc2c[nH+]cn2C1)[C@H]1CCSC1 ZINC000672153175 545263335 /nfs/dbraw/zinc/26/33/35/545263335.db2.gz SXPULEUOIPMXQX-YPMHNXCESA-N 2 2 294.424 0.751 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)[C@@H](C)[NH3+] ZINC000423763581 528920118 /nfs/dbraw/zinc/92/01/18/528920118.db2.gz UWWKVMCPOACYEX-BNOWGMLFSA-N 2 2 283.416 0.585 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)[C@@H](C)[NH3+] ZINC000423763581 528920120 /nfs/dbraw/zinc/92/01/20/528920120.db2.gz UWWKVMCPOACYEX-BNOWGMLFSA-N 2 2 283.416 0.585 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000428032660 528978872 /nfs/dbraw/zinc/97/88/72/528978872.db2.gz ORFDNBTZNPQZDF-ZFWWWQNUSA-N 3 2 294.443 0.271 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000428032660 528978876 /nfs/dbraw/zinc/97/88/76/528978876.db2.gz ORFDNBTZNPQZDF-ZFWWWQNUSA-N 3 2 294.443 0.271 20 0 CCADLP CC(C)[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000672824199 545273623 /nfs/dbraw/zinc/27/36/23/545273623.db2.gz DBJNQHZUXIHGEL-LBPRGKRZSA-N 2 2 264.373 0.952 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000418212790 529060908 /nfs/dbraw/zinc/06/09/08/529060908.db2.gz LYHQSXWTUDITRB-QWHCGFSZSA-N 2 2 284.404 0.132 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000418212790 529060911 /nfs/dbraw/zinc/06/09/11/529060911.db2.gz LYHQSXWTUDITRB-QWHCGFSZSA-N 2 2 284.404 0.132 20 0 CCADLP CC(C)(CO)[NH+]1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000673884976 545294375 /nfs/dbraw/zinc/29/43/75/545294375.db2.gz FXANHDCDKBRGCS-UHFFFAOYSA-N 2 2 275.356 0.851 20 0 CCADLP CC[C@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000423877319 529278687 /nfs/dbraw/zinc/27/86/87/529278687.db2.gz OWYXWGXRXJZZGQ-KKUMJFAQSA-N 2 2 295.427 0.698 20 0 CCADLP O[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000674498264 545308074 /nfs/dbraw/zinc/30/80/74/545308074.db2.gz PVRFNQZHQBLGKJ-GASCZTMLSA-N 2 2 273.336 0.800 20 0 CCADLP O[C@@H]1C[C@H](O)C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000674498264 545308075 /nfs/dbraw/zinc/30/80/75/545308075.db2.gz PVRFNQZHQBLGKJ-GASCZTMLSA-N 2 2 273.336 0.800 20 0 CCADLP CC[C@H](C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[NH+](C)C ZINC000675720070 545330707 /nfs/dbraw/zinc/33/07/07/545330707.db2.gz HXWFXHYTHSCSTI-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000676246606 545338450 /nfs/dbraw/zinc/33/84/50/545338450.db2.gz XLGHHFDIADHXKN-DGCLKSJQSA-N 2 2 295.387 0.210 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000676246606 545338451 /nfs/dbraw/zinc/33/84/51/545338451.db2.gz XLGHHFDIADHXKN-DGCLKSJQSA-N 2 2 295.387 0.210 20 0 CCADLP C[NH+]1CCN(C(C)(C)CNC(=O)NCC[NH+]2CCC2)CC1 ZINC000677006405 545356441 /nfs/dbraw/zinc/35/64/41/545356441.db2.gz SEHRNTLTWWGCKK-UHFFFAOYSA-N 2 2 297.447 0.017 20 0 CCADLP CN1CC[NH+](C(C)(C)CNC(=O)NCC[NH+]2CCC2)CC1 ZINC000677006405 545356442 /nfs/dbraw/zinc/35/64/42/545356442.db2.gz SEHRNTLTWWGCKK-UHFFFAOYSA-N 2 2 297.447 0.017 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@H](C)[NH+]2CCSCC2)C[C@@H]1C ZINC000677181563 545360054 /nfs/dbraw/zinc/36/00/54/545360054.db2.gz ATZNZACXPLBURH-STQMWFEESA-N 2 2 285.457 0.976 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@H](C)[NH+]2CCSCC2)C[C@@H]1C ZINC000677181563 545360055 /nfs/dbraw/zinc/36/00/55/545360055.db2.gz ATZNZACXPLBURH-STQMWFEESA-N 2 2 285.457 0.976 20 0 CCADLP CC[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000515828753 535904129 /nfs/dbraw/zinc/90/41/29/535904129.db2.gz IGAWYJNRIGTKGQ-RYUDHWBXSA-N 2 2 291.461 0.825 20 0 CCADLP CN(C(=O)C[NH+]1CCN(CC[NH3+])CC1)C1CCCCC1 ZINC000262919812 535989986 /nfs/dbraw/zinc/98/99/86/535989986.db2.gz GTNKYJNVZRNUOX-UHFFFAOYSA-N 2 2 282.432 0.354 20 0 CCADLP CCc1cnc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)s1 ZINC000514668582 536051442 /nfs/dbraw/zinc/05/14/42/536051442.db2.gz KCUBBFYMIJSEAV-GFCCVEGCSA-N 2 2 298.456 0.403 20 0 CCADLP C[NH+](C)C(C)(C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000371016334 536110252 /nfs/dbraw/zinc/11/02/52/536110252.db2.gz NKGYQCRFDQMYKT-NSHDSACASA-N 2 2 264.373 0.902 20 0 CCADLP CN(Cc1cn(C)nn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000678719060 545396848 /nfs/dbraw/zinc/39/68/48/545396848.db2.gz HARUCBKLQMQQEQ-OAHLLOKOSA-N 2 2 292.431 0.415 20 0 CCADLP CN(Cc1cn(C)nn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000678719060 545396849 /nfs/dbraw/zinc/39/68/49/545396849.db2.gz HARUCBKLQMQQEQ-OAHLLOKOSA-N 2 2 292.431 0.415 20 0 CCADLP CC[N@@H+]1CCN(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)C[C@@H]1C ZINC000678889104 545399636 /nfs/dbraw/zinc/39/96/36/545399636.db2.gz HHYHPFBESSLOFF-SOUVJXGZSA-N 2 2 267.417 0.876 20 0 CCADLP CC[N@H+]1CCN(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)C[C@@H]1C ZINC000678889104 545399637 /nfs/dbraw/zinc/39/96/37/545399637.db2.gz HHYHPFBESSLOFF-SOUVJXGZSA-N 2 2 267.417 0.876 20 0 CCADLP CC[NH+]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@@H]1C ZINC000678889104 545399638 /nfs/dbraw/zinc/39/96/38/545399638.db2.gz HHYHPFBESSLOFF-SOUVJXGZSA-N 2 2 267.417 0.876 20 0 CCADLP CC[NH+]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@@H]1C ZINC000678889104 545399639 /nfs/dbraw/zinc/39/96/39/545399639.db2.gz HHYHPFBESSLOFF-SOUVJXGZSA-N 2 2 267.417 0.876 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](N3CCCC3)C2)CC1 ZINC000372456002 536402478 /nfs/dbraw/zinc/40/24/78/536402478.db2.gz RBLKVVKXJCEZCU-HNNXBMFYSA-N 2 2 294.443 0.321 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](N3CCCC3)C2)CC1 ZINC000372456002 536402479 /nfs/dbraw/zinc/40/24/79/536402479.db2.gz RBLKVVKXJCEZCU-HNNXBMFYSA-N 2 2 294.443 0.321 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCc2cccs2)[C@H](C[NH3+])C1 ZINC000516568751 536403899 /nfs/dbraw/zinc/40/38/99/536403899.db2.gz XLGBVKBXGULPOO-LLVKDONJSA-N 2 2 267.398 0.782 20 0 CCADLP C[N@H+]1CCN(C(=O)CCc2cccs2)[C@H](C[NH3+])C1 ZINC000516568751 536403901 /nfs/dbraw/zinc/40/39/01/536403901.db2.gz XLGBVKBXGULPOO-LLVKDONJSA-N 2 2 267.398 0.782 20 0 CCADLP COCC1(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000679306806 545405996 /nfs/dbraw/zinc/40/59/96/545405996.db2.gz UFNSDFKVJBVNJT-CYBMUJFWSA-N 2 2 295.427 0.698 20 0 CCADLP COCC1(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000679306806 545405997 /nfs/dbraw/zinc/40/59/97/545405997.db2.gz UFNSDFKVJBVNJT-CYBMUJFWSA-N 2 2 295.427 0.698 20 0 CCADLP COC(=O)c1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)[nH]1 ZINC000427128218 536675400 /nfs/dbraw/zinc/67/54/00/536675400.db2.gz KAWKUWNPGIQORQ-ZYHUDNBSSA-N 2 2 263.341 0.985 20 0 CCADLP COC(=O)c1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)[nH]1 ZINC000427128218 536675403 /nfs/dbraw/zinc/67/54/03/536675403.db2.gz KAWKUWNPGIQORQ-ZYHUDNBSSA-N 2 2 263.341 0.985 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)C[N@@H+](C)[C@H]1CCSC1)CC2 ZINC000679907398 545418375 /nfs/dbraw/zinc/41/83/75/545418375.db2.gz NVHMYNPPGZWUPL-LBPRGKRZSA-N 2 2 294.424 0.971 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)C[N@H+](C)[C@H]1CCSC1)CC2 ZINC000679907398 545418376 /nfs/dbraw/zinc/41/83/76/545418376.db2.gz NVHMYNPPGZWUPL-LBPRGKRZSA-N 2 2 294.424 0.971 20 0 CCADLP NC(=O)c1c[nH+]ccc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000680830274 545435779 /nfs/dbraw/zinc/43/57/79/545435779.db2.gz YRTINVSWJMXSDA-NSHDSACASA-N 2 2 276.340 0.091 20 0 CCADLP Cn1cc(-c2cc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)on2)cn1 ZINC000681098947 545443022 /nfs/dbraw/zinc/44/30/22/545443022.db2.gz ATVGNLXJQFGKMN-QWRGUYRKSA-N 2 2 273.340 0.726 20 0 CCADLP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000681582426 545456986 /nfs/dbraw/zinc/45/69/86/545456986.db2.gz RTGHRRWENNFGLA-CHWSQXEVSA-N 2 2 276.384 0.904 20 0 CCADLP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000681582426 545456987 /nfs/dbraw/zinc/45/69/87/545456987.db2.gz RTGHRRWENNFGLA-CHWSQXEVSA-N 2 2 276.384 0.904 20 0 CCADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[N@@H+]1CCO ZINC000681748000 545461188 /nfs/dbraw/zinc/46/11/88/545461188.db2.gz BLOJXCYWMXQROS-CYBMUJFWSA-N 2 2 280.372 0.188 20 0 CCADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[N@H+]1CCO ZINC000681748000 545461189 /nfs/dbraw/zinc/46/11/89/545461189.db2.gz BLOJXCYWMXQROS-CYBMUJFWSA-N 2 2 280.372 0.188 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CO1 ZINC000682223761 545475972 /nfs/dbraw/zinc/47/59/72/545475972.db2.gz HLYSCPRHRJPNSP-MCIONIFRSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CO1 ZINC000682223761 545475973 /nfs/dbraw/zinc/47/59/73/545475973.db2.gz HLYSCPRHRJPNSP-MCIONIFRSA-N 2 2 295.427 0.696 20 0 CCADLP CCC[NH+]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000682491697 545480602 /nfs/dbraw/zinc/48/06/02/545480602.db2.gz HHNJSHUYOCQLNU-ZDUSSCGKSA-N 2 2 276.384 1.000 20 0 CCADLP CCc1nn(C)cc1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000682671473 545487142 /nfs/dbraw/zinc/48/71/42/545487142.db2.gz PRRNJKBXUUCWDP-UHFFFAOYSA-N 2 2 280.416 0.919 20 0 CCADLP CC[NH+](CC)CCCN1CC[NH+](CC(=O)N(C)C)CC1 ZINC000683141384 545496236 /nfs/dbraw/zinc/49/62/36/545496236.db2.gz NEAXDVLIXIQBNZ-UHFFFAOYSA-N 2 2 284.448 0.424 20 0 CCADLP CCn1ncnc1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000683782616 545564547 /nfs/dbraw/zinc/56/45/47/545564547.db2.gz YQYKEXLFFZYRSF-UHFFFAOYSA-N 2 2 281.404 0.841 20 0 CCADLP C[C@H](NC(=O)CCc1c[nH+]c[nH]1)[C@@H]1C[N@H+](C)CCO1 ZINC000684464096 545676050 /nfs/dbraw/zinc/67/60/50/545676050.db2.gz PBDLVBNDTIURLE-JQWIXIFHSA-N 2 2 266.345 0.178 20 0 CCADLP C[C@H](NC(=O)CCc1c[nH+]c[nH]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000684464096 545676055 /nfs/dbraw/zinc/67/60/55/545676055.db2.gz PBDLVBNDTIURLE-JQWIXIFHSA-N 2 2 266.345 0.178 20 0 CCADLP C[C@H](NC(=O)CCc1c[nH]c[nH+]1)[C@@H]1C[N@H+](C)CCO1 ZINC000684464096 545676057 /nfs/dbraw/zinc/67/60/57/545676057.db2.gz PBDLVBNDTIURLE-JQWIXIFHSA-N 2 2 266.345 0.178 20 0 CCADLP C[C@H](NC(=O)CCc1c[nH]c[nH+]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000684464096 545676060 /nfs/dbraw/zinc/67/60/60/545676060.db2.gz PBDLVBNDTIURLE-JQWIXIFHSA-N 2 2 266.345 0.178 20 0 CCADLP O=C1NCC2(CC[NH+](C[C@H](O)C[NH+]3CCCC3)CC2)O1 ZINC000781992369 581283820 /nfs/dbraw/zinc/28/38/20/581283820.db2.gz JFUCSQBKSYFGAA-GFCCVEGCSA-N 2 2 283.372 0.018 20 0 CCADLP C[C@@H]1CC(=O)N(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000793765886 581311840 /nfs/dbraw/zinc/31/18/40/581311840.db2.gz KJCJBKZRWFYOFN-OCCSQVGLSA-N 2 2 251.374 0.840 20 0 CCADLP C[C@@H]1CC(=O)N(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000793765886 581311842 /nfs/dbraw/zinc/31/18/42/581311842.db2.gz KJCJBKZRWFYOFN-OCCSQVGLSA-N 2 2 251.374 0.840 20 0 CCADLP C[C@@H]1CC(=O)N(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC000793765886 581311843 /nfs/dbraw/zinc/31/18/43/581311843.db2.gz KJCJBKZRWFYOFN-OCCSQVGLSA-N 2 2 251.374 0.840 20 0 CCADLP C[C@@H]1CC(=O)N(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC000793765886 581311844 /nfs/dbraw/zinc/31/18/44/581311844.db2.gz KJCJBKZRWFYOFN-OCCSQVGLSA-N 2 2 251.374 0.840 20 0 CCADLP COC[C@]1(C)CC(=O)N(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000793769111 581312591 /nfs/dbraw/zinc/31/25/91/581312591.db2.gz SDTXPUAVHZGOFS-HZPDHXFCSA-N 2 2 295.427 0.857 20 0 CCADLP COC[C@]1(C)CC(=O)N(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000793769111 581312593 /nfs/dbraw/zinc/31/25/93/581312593.db2.gz SDTXPUAVHZGOFS-HZPDHXFCSA-N 2 2 295.427 0.857 20 0 CCADLP COC[C@]1(C)CC(=O)N(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC000793769111 581312596 /nfs/dbraw/zinc/31/25/96/581312596.db2.gz SDTXPUAVHZGOFS-HZPDHXFCSA-N 2 2 295.427 0.857 20 0 CCADLP COC[C@]1(C)CC(=O)N(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)C1 ZINC000793769111 581312598 /nfs/dbraw/zinc/31/25/98/581312598.db2.gz SDTXPUAVHZGOFS-HZPDHXFCSA-N 2 2 295.427 0.857 20 0 CCADLP C[C@H]1COCCC[N@@H+]1CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783996853 581370396 /nfs/dbraw/zinc/37/03/96/581370396.db2.gz SULSYBAZIATZTH-QWHCGFSZSA-N 2 2 292.383 0.804 20 0 CCADLP C[C@H]1COCCC[N@H+]1CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783996853 581370399 /nfs/dbraw/zinc/37/03/99/581370399.db2.gz SULSYBAZIATZTH-QWHCGFSZSA-N 2 2 292.383 0.804 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1CC[NH+]1CCCC1 ZINC000796375182 581438902 /nfs/dbraw/zinc/43/89/02/581438902.db2.gz DXPFUIKPMGCIAI-HUUCEWRRSA-N 2 2 267.417 0.877 20 0 CCADLP C[NH+](C)C[C@@](C)(O)CNC(=O)c1cccc2[nH+]ccn21 ZINC000752480450 581507151 /nfs/dbraw/zinc/50/71/51/581507151.db2.gz CDRFWQQEZCVCBP-AWEZNQCLSA-N 2 2 276.340 0.377 20 0 CCADLP C[NH+](C)C1(C(=O)NCC2([NH+]3CCOCC3)CC2)CCC1 ZINC000765698266 581533441 /nfs/dbraw/zinc/53/34/41/581533441.db2.gz MUBCQLHKAWXBOR-UHFFFAOYSA-N 2 2 281.400 0.452 20 0 CCADLP CCON(C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000753616339 581548917 /nfs/dbraw/zinc/54/89/17/581548917.db2.gz HSPAJKHPZLTIPP-UHFFFAOYSA-N 2 2 272.393 0.605 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ncccn3)C2)CC1 ZINC000743400968 581810913 /nfs/dbraw/zinc/81/09/13/581810913.db2.gz ULDAMFNOZADMPI-GFCCVEGCSA-N 2 2 289.383 0.375 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ncccn3)C2)CC1 ZINC000743400968 581810915 /nfs/dbraw/zinc/81/09/15/581810915.db2.gz ULDAMFNOZADMPI-GFCCVEGCSA-N 2 2 289.383 0.375 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)CCO1 ZINC000745792699 581885417 /nfs/dbraw/zinc/88/54/17/581885417.db2.gz RFBQFNOXFSVLLN-MJBXVCDLSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)CCO1 ZINC000745792699 581885420 /nfs/dbraw/zinc/88/54/20/581885420.db2.gz RFBQFNOXFSVLLN-MJBXVCDLSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CCO1 ZINC000745792699 581885424 /nfs/dbraw/zinc/88/54/24/581885424.db2.gz RFBQFNOXFSVLLN-MJBXVCDLSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCO1 ZINC000745792699 581885427 /nfs/dbraw/zinc/88/54/27/581885427.db2.gz RFBQFNOXFSVLLN-MJBXVCDLSA-N 2 2 298.431 0.489 20 0 CCADLP CC(C)[NH+]1CCN(C2CC[NH+]([C@@H]3CCOC3=O)CC2)CC1 ZINC000761123328 581890175 /nfs/dbraw/zinc/89/01/75/581890175.db2.gz KXSULXKHXOQZBH-OAHLLOKOSA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)(CNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000416816820 581908503 /nfs/dbraw/zinc/90/85/03/581908503.db2.gz JGOYXYNBLVNMPE-CHWSQXEVSA-N 2 2 298.431 0.666 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000417038949 581910151 /nfs/dbraw/zinc/91/01/51/581910151.db2.gz UXASOUGOSKNPBS-UPJWGTAASA-N 2 2 284.404 0.276 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000747116340 581933024 /nfs/dbraw/zinc/93/30/24/581933024.db2.gz OXCHHUDODNWCAG-CQSZACIVSA-N 2 2 291.399 0.088 20 0 CCADLP COC(=O)/C(C)=C\C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000748824015 581989643 /nfs/dbraw/zinc/98/96/43/581989643.db2.gz GYIHWDYJWJDFGB-SUSILRQXSA-N 2 2 282.384 0.760 20 0 CCADLP COC(=O)/C(C)=C\C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000748824015 581989645 /nfs/dbraw/zinc/98/96/45/581989645.db2.gz GYIHWDYJWJDFGB-SUSILRQXSA-N 2 2 282.384 0.760 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)CCN1CCOC1=O ZINC000774747237 581994381 /nfs/dbraw/zinc/99/43/81/581994381.db2.gz XDUHSPPYINDDOY-UHFFFAOYSA-N 2 2 252.318 0.657 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)CCN1CCOC1=O ZINC000774747237 581994384 /nfs/dbraw/zinc/99/43/84/581994384.db2.gz XDUHSPPYINDDOY-UHFFFAOYSA-N 2 2 252.318 0.657 20 0 CCADLP c1cn(-c2cc(CNC3=[NH+]CCCN3)ccn2)c[nH+]1 ZINC000750544655 582050726 /nfs/dbraw/zinc/05/07/26/582050726.db2.gz PRJJDLKWJBKWRR-UHFFFAOYSA-N 2 2 256.313 0.706 20 0 CCADLP CCOCCOCC[N@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000923413638 615275227 /nfs/dbraw/zinc/27/52/27/615275227.db2.gz WRLMLOPJKJXPMD-STQMWFEESA-N 2 2 260.378 0.478 20 0 CCADLP C[C@@H]([NH3+])CN(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000861556822 617173912 /nfs/dbraw/zinc/17/39/12/617173912.db2.gz RBSNFSACWFJURL-LLVKDONJSA-N 2 2 265.361 0.872 20 0 CCADLP C[C@@H]([NH3+])CN(C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000861611956 617174192 /nfs/dbraw/zinc/17/41/92/617174192.db2.gz GNLVQOPAZQYDAZ-SNVBAGLBSA-N 2 2 261.329 0.823 20 0 CCADLP CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925671163 617179617 /nfs/dbraw/zinc/17/96/17/617179617.db2.gz BKETXCGZUUXVNK-UZTRECFBSA-N 2 2 298.452 0.928 20 0 CCADLP CC(C)C[C@H]1C(=O)NCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903457546 614224343 /nfs/dbraw/zinc/22/43/43/614224343.db2.gz WRDMSTFTNIQJOT-AGIUHOORSA-N 2 2 253.390 0.688 20 0 CCADLP CC(C)C[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903457546 614224344 /nfs/dbraw/zinc/22/43/44/614224344.db2.gz WRDMSTFTNIQJOT-AGIUHOORSA-N 2 2 253.390 0.688 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868445489 614257038 /nfs/dbraw/zinc/25/70/38/614257038.db2.gz IIGVDQGSBHTIJM-GEXIGZQTSA-N 2 2 283.416 0.720 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868445489 614257042 /nfs/dbraw/zinc/25/70/42/614257042.db2.gz IIGVDQGSBHTIJM-GEXIGZQTSA-N 2 2 283.416 0.720 20 0 CCADLP COc1ccccc1[C@H](O)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000863562776 617319751 /nfs/dbraw/zinc/31/97/51/617319751.db2.gz LYVGGBOTMIBENO-DZGCQCFKSA-N 2 2 294.395 0.775 20 0 CCADLP C/C=C\[C@@H](O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000900445697 613207287 /nfs/dbraw/zinc/20/72/87/613207287.db2.gz JHGUEQQUTDWFQL-ABCZVMIZSA-N 2 2 295.427 0.598 20 0 CCADLP C1CCC2(C1)[C@H]([NH2+][C@@H]1C[NH2+]CCOC1)[C@@H]1CCO[C@H]12 ZINC000925635307 613223645 /nfs/dbraw/zinc/22/36/45/613223645.db2.gz UFSPMLSVRRWSJD-XJFOESAGSA-N 2 2 266.385 0.912 20 0 CCADLP C/C(=C/C(=O)NCC1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000900484617 613236100 /nfs/dbraw/zinc/23/61/00/613236100.db2.gz MVHKBCDVEGLHPU-KAMYIIQDSA-N 2 2 295.427 0.723 20 0 CCADLP C/C(=C/C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH+]1CCOCC1 ZINC000928426455 613238914 /nfs/dbraw/zinc/23/89/14/613238914.db2.gz GBFYBAKEUOTVSL-HVDISPMTSA-N 2 2 281.400 0.474 20 0 CCADLP C/C(=C/C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH+]1CCOCC1 ZINC000928426455 613238916 /nfs/dbraw/zinc/23/89/16/613238916.db2.gz GBFYBAKEUOTVSL-HVDISPMTSA-N 2 2 281.400 0.474 20 0 CCADLP C/C(=C/C(=O)N[C@H](C)CC[NH+](C)C)C[NH+]1CCOCC1 ZINC000900695371 613239621 /nfs/dbraw/zinc/23/96/21/613239621.db2.gz QSXCIVRPIPYOMF-YBEMTRGBSA-N 2 2 283.416 0.721 20 0 CCADLP C/C(=C\C(=O)N1CC[N@@H+](C)CC1(C)C)C[NH+]1CCOCC1 ZINC000901277066 613250752 /nfs/dbraw/zinc/25/07/52/613250752.db2.gz VHAAAQYCWHLHNX-SDNWHVSQSA-N 2 2 295.427 0.818 20 0 CCADLP C/C(=C\C(=O)N1CC[N@H+](C)CC1(C)C)C[NH+]1CCOCC1 ZINC000901277066 613250755 /nfs/dbraw/zinc/25/07/55/613250755.db2.gz VHAAAQYCWHLHNX-SDNWHVSQSA-N 2 2 295.427 0.818 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H]2C[C@H]3COC[C@H]3O2)CC1 ZINC000930614675 613939313 /nfs/dbraw/zinc/93/93/13/613939313.db2.gz DFIUQAUJOKDJCT-SOUVJXGZSA-N 2 2 298.427 0.615 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](CC[C@H]2CCOC2=O)CC1 ZINC000846943018 613939379 /nfs/dbraw/zinc/93/93/79/613939379.db2.gz CMXXKFIEBAYFJD-ZDUSSCGKSA-N 2 2 284.400 0.765 20 0 CCADLP CC(C)[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cnn(C)c1 ZINC000886524178 614128890 /nfs/dbraw/zinc/12/88/90/614128890.db2.gz FPAUFCJNGJIXDL-QWHCGFSZSA-N 2 2 254.378 0.629 20 0 CCADLP CC(C)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000970105270 614148441 /nfs/dbraw/zinc/14/84/41/614148441.db2.gz LKGZQFSBSLCMCC-LLVKDONJSA-N 2 2 250.346 0.799 20 0 CCADLP CC(C)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000970859757 614148648 /nfs/dbraw/zinc/14/86/48/614148648.db2.gz PEBMSEAKHGLTMJ-GFCCVEGCSA-N 2 2 250.346 0.730 20 0 CCADLP CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000923411300 614203158 /nfs/dbraw/zinc/20/31/58/614203158.db2.gz QRBRGEWIRIIEDO-BXUZGUMPSA-N 2 2 295.383 0.664 20 0 CCADLP CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000923411300 614203159 /nfs/dbraw/zinc/20/31/59/614203159.db2.gz QRBRGEWIRIIEDO-BXUZGUMPSA-N 2 2 295.383 0.664 20 0 CCADLP CC(=O)OC1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000851864646 614215297 /nfs/dbraw/zinc/21/52/97/614215297.db2.gz GWUHHKZMUACEMY-CYBMUJFWSA-N 2 2 272.389 0.715 20 0 CCADLP CC(=O)OC1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000851864646 614215298 /nfs/dbraw/zinc/21/52/98/614215298.db2.gz GWUHHKZMUACEMY-CYBMUJFWSA-N 2 2 272.389 0.715 20 0 CCADLP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000886593700 614226521 /nfs/dbraw/zinc/22/65/21/614226521.db2.gz XGFFGGAFYUUUPE-UONOGXRCSA-N 2 2 283.416 0.506 20 0 CCADLP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000886593700 614226523 /nfs/dbraw/zinc/22/65/23/614226523.db2.gz XGFFGGAFYUUUPE-UONOGXRCSA-N 2 2 283.416 0.506 20 0 CCADLP CC(C)C[C@H]1C[NH+](C)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000886593700 614226524 /nfs/dbraw/zinc/22/65/24/614226524.db2.gz XGFFGGAFYUUUPE-UONOGXRCSA-N 2 2 283.416 0.506 20 0 CCADLP CC(C)C[C@H]1C[NH+](C)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000886593700 614226525 /nfs/dbraw/zinc/22/65/25/614226525.db2.gz XGFFGGAFYUUUPE-UONOGXRCSA-N 2 2 283.416 0.506 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+]C(C)(C)C(=O)N1CCCC1 ZINC000852004045 614258411 /nfs/dbraw/zinc/25/84/11/614258411.db2.gz ORZBLFWENRHOJL-ZDUSSCGKSA-N 2 2 285.432 0.678 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+]C(C)(C)C(=O)N1CCCC1 ZINC000852004045 614258412 /nfs/dbraw/zinc/25/84/12/614258412.db2.gz ORZBLFWENRHOJL-ZDUSSCGKSA-N 2 2 285.432 0.678 20 0 CCADLP CC(C)=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000969441182 614287169 /nfs/dbraw/zinc/28/71/69/614287169.db2.gz ITMXICANZGXJFQ-ZFWWWQNUSA-N 2 2 295.427 0.720 20 0 CCADLP CC(C)=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000969441182 614287172 /nfs/dbraw/zinc/28/71/72/614287172.db2.gz ITMXICANZGXJFQ-ZFWWWQNUSA-N 2 2 295.427 0.720 20 0 CCADLP CC(C)N1C(=O)C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1(C)C ZINC000923317017 614313728 /nfs/dbraw/zinc/31/37/28/614313728.db2.gz SDMHHMIFCHPOCB-SRVKXCTJSA-N 2 2 269.389 0.168 20 0 CCADLP CC(C)N1C(=O)C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1(C)C ZINC000923317017 614313729 /nfs/dbraw/zinc/31/37/29/614313729.db2.gz SDMHHMIFCHPOCB-SRVKXCTJSA-N 2 2 269.389 0.168 20 0 CCADLP CC(C)c1[nH+]ccn1CCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000844174577 614328233 /nfs/dbraw/zinc/32/82/33/614328233.db2.gz LVTFGACTXGRVBP-JTQLQIEISA-N 2 2 268.386 0.785 20 0 CCADLP CC(C)[N@@H+]1CCO[C@@H](C(N)=NOCCc2c[nH+]cn2C)C1 ZINC000853686180 614363770 /nfs/dbraw/zinc/36/37/70/614363770.db2.gz VWQHWVUABLOTPK-CYBMUJFWSA-N 2 2 295.387 0.570 20 0 CCADLP CC(C)[N@H+]1CCO[C@@H](C(N)=NOCCc2c[nH+]cn2C)C1 ZINC000853686180 614363772 /nfs/dbraw/zinc/36/37/72/614363772.db2.gz VWQHWVUABLOTPK-CYBMUJFWSA-N 2 2 295.387 0.570 20 0 CCADLP CC(C)[N@@H+]1CCO[C@H](C(N)=NOCCc2c[nH+]cn2C)C1 ZINC000853686181 614365978 /nfs/dbraw/zinc/36/59/78/614365978.db2.gz VWQHWVUABLOTPK-ZDUSSCGKSA-N 2 2 295.387 0.570 20 0 CCADLP CC(C)[N@H+]1CCO[C@H](C(N)=NOCCc2c[nH+]cn2C)C1 ZINC000853686181 614365980 /nfs/dbraw/zinc/36/59/80/614365980.db2.gz VWQHWVUABLOTPK-ZDUSSCGKSA-N 2 2 295.387 0.570 20 0 CCADLP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH+](C)[C@@H](CO)C2)C1 ZINC000913558265 614666703 /nfs/dbraw/zinc/66/67/03/614666703.db2.gz LTWBDBLEIWIIKD-UONOGXRCSA-N 2 2 283.416 0.243 20 0 CCADLP CCC[N@H+]1CCC[C@H](C(=O)N2CC[NH+](C)[C@@H](CO)C2)C1 ZINC000913558265 614666705 /nfs/dbraw/zinc/66/67/05/614666705.db2.gz LTWBDBLEIWIIKD-UONOGXRCSA-N 2 2 283.416 0.243 20 0 CCADLP CCC[NH+]1CCC[C@H](C(=O)N2CC[N@H+](C)[C@@H](CO)C2)C1 ZINC000913558265 614666707 /nfs/dbraw/zinc/66/67/07/614666707.db2.gz LTWBDBLEIWIIKD-UONOGXRCSA-N 2 2 283.416 0.243 20 0 CCADLP CCC[NH+]1CCC[C@H](C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)C1 ZINC000913558265 614666709 /nfs/dbraw/zinc/66/67/09/614666709.db2.gz LTWBDBLEIWIIKD-UONOGXRCSA-N 2 2 283.416 0.243 20 0 CCADLP CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1C[NH+](CCOC)C1 ZINC000951380578 614677241 /nfs/dbraw/zinc/67/72/41/614677241.db2.gz WFDSHKOWXBMXJA-KBPBESRZSA-N 2 2 297.443 0.896 20 0 CCADLP CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1C[NH+](CCOC)C1 ZINC000951380578 614677244 /nfs/dbraw/zinc/67/72/44/614677244.db2.gz WFDSHKOWXBMXJA-KBPBESRZSA-N 2 2 297.443 0.896 20 0 CCADLP CC1(C)CNC(=O)[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000924732613 614696491 /nfs/dbraw/zinc/69/64/91/614696491.db2.gz NVVGVOQCKGIJLG-LLVKDONJSA-N 2 2 250.346 0.778 20 0 CCADLP CC1(C)OC[C@H](C[NH2+][C@H]2CCn3cc[nH+]c3C2)O1 ZINC000893707466 614839173 /nfs/dbraw/zinc/83/91/73/614839173.db2.gz UFCPRGUZIHMDAL-QWRGUYRKSA-N 2 2 251.330 0.939 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000846814511 614850193 /nfs/dbraw/zinc/85/01/93/614850193.db2.gz RQCNUYDQACKJFM-GFCCVEGCSA-N 2 2 267.377 0.297 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000846814511 614850195 /nfs/dbraw/zinc/85/01/95/614850195.db2.gz RQCNUYDQACKJFM-GFCCVEGCSA-N 2 2 267.377 0.297 20 0 CCADLP CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000971820679 614912754 /nfs/dbraw/zinc/91/27/54/614912754.db2.gz GQWVCNPUQOSKJT-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000971820679 614912756 /nfs/dbraw/zinc/91/27/56/614912756.db2.gz GQWVCNPUQOSKJT-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP CCCOC(=O)[C@H](C)[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000843377085 614932385 /nfs/dbraw/zinc/93/23/85/614932385.db2.gz OEAPUDPVPSGQMG-STQMWFEESA-N 2 2 299.415 0.648 20 0 CCADLP CCCOC(=O)[C@H](C)[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000843377085 614932388 /nfs/dbraw/zinc/93/23/88/614932388.db2.gz OEAPUDPVPSGQMG-STQMWFEESA-N 2 2 299.415 0.648 20 0 CCADLP CCN(CC)C(=O)CN1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903441035 614966578 /nfs/dbraw/zinc/96/65/78/614966578.db2.gz HLLHGZHREXAMKP-CABCVRRESA-N 2 2 296.459 0.328 20 0 CCADLP CCN(CC)C(=O)C[NH+]1CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903441035 614966579 /nfs/dbraw/zinc/96/65/79/614966579.db2.gz HLLHGZHREXAMKP-CABCVRRESA-N 2 2 296.459 0.328 20 0 CCADLP CCN(CC)C(=O)C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000817891203 614979029 /nfs/dbraw/zinc/97/90/29/614979029.db2.gz HTRYPCGSWMSRDL-GXTWGEPZSA-N 2 2 269.389 0.211 20 0 CCADLP CC[NH+](CC)CCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864386887 614994265 /nfs/dbraw/zinc/99/42/65/614994265.db2.gz KFBZAJJPKLLLRP-WAYWQWQTSA-N 2 2 269.389 0.333 20 0 CCADLP CCNC(=O)N1CC[C@H]([NH2+][C@H]2CC[NH2+]C2(C)C)C1 ZINC000925585870 615056620 /nfs/dbraw/zinc/05/66/20/615056620.db2.gz ATQZQTGXVWQVDT-QWRGUYRKSA-N 2 2 254.378 0.520 20 0 CCADLP CC[NH2+]CC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000844172923 615078486 /nfs/dbraw/zinc/07/84/86/615078486.db2.gz JVKQJGFLLDBGMG-UHFFFAOYSA-N 2 2 250.346 0.488 20 0 CCADLP CC[NH2+]CC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000844192508 615078510 /nfs/dbraw/zinc/07/85/10/615078510.db2.gz VIITYIBIMVIECG-UHFFFAOYSA-N 2 2 290.411 0.534 20 0 CCADLP CC[NH2+]CC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000844168074 615079133 /nfs/dbraw/zinc/07/91/33/615079133.db2.gz IYECFDBGZXOSDC-UHFFFAOYSA-N 2 2 262.357 0.908 20 0 CCADLP CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000969980521 615094592 /nfs/dbraw/zinc/09/45/92/615094592.db2.gz KVKKEOMWGBCPEV-NWDGAFQWSA-N 2 2 276.384 0.902 20 0 CCADLP CC[NH+]1CCC(N(C)C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000865123374 615099514 /nfs/dbraw/zinc/09/95/14/615099514.db2.gz LBHZNQXOBJIFDB-LBPRGKRZSA-N 2 2 266.345 0.386 20 0 CCADLP CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC000939621702 615124146 /nfs/dbraw/zinc/12/41/46/615124146.db2.gz CLVPLGREGOOKHP-BXKDBHETSA-N 2 2 250.346 0.717 20 0 CCADLP CC[NH2+][C@H](C)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC000979452473 615129785 /nfs/dbraw/zinc/12/97/85/615129785.db2.gz YWYORZLSLXHWBO-NEPJUHHUSA-N 2 2 266.345 0.109 20 0 CCADLP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2c[nH]cn2)CC1 ZINC000894176378 615162264 /nfs/dbraw/zinc/16/22/64/615162264.db2.gz RMCODOJRHFGKMM-GFCCVEGCSA-N 2 2 251.378 0.525 20 0 CCADLP CC[NH+]1CCN([C@H](C)CNc2cc(N(C)C)[nH+]cn2)CC1 ZINC000891829179 615162581 /nfs/dbraw/zinc/16/25/81/615162581.db2.gz HEWLPIIYQICAHZ-CYBMUJFWSA-N 2 2 292.431 0.981 20 0 CCADLP CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000972361944 615176798 /nfs/dbraw/zinc/17/67/98/615176798.db2.gz MIHYPUHRHKILRE-HNNXBMFYSA-N 2 2 292.383 0.666 20 0 CCADLP CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000972361944 615176799 /nfs/dbraw/zinc/17/67/99/615176799.db2.gz MIHYPUHRHKILRE-HNNXBMFYSA-N 2 2 292.383 0.666 20 0 CCADLP CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000968544347 615199831 /nfs/dbraw/zinc/19/98/31/615199831.db2.gz MDGAVIFVZBYNPO-DGCLKSJQSA-N 2 2 264.373 0.809 20 0 CCADLP CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000968544347 615199832 /nfs/dbraw/zinc/19/98/32/615199832.db2.gz MDGAVIFVZBYNPO-DGCLKSJQSA-N 2 2 264.373 0.809 20 0 CCADLP CCOC(=O)N1CC[C@H]([NH2+][C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000925639504 615234551 /nfs/dbraw/zinc/23/45/51/615234551.db2.gz CGDXBPSSVWMBGS-SDDRHHMPSA-N 2 2 255.362 0.947 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)NCc1c[nH+]cn1C ZINC000883652061 615251597 /nfs/dbraw/zinc/25/15/97/615251597.db2.gz AQBQOFIFKJDEQR-SNVBAGLBSA-N 2 2 251.334 0.314 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)NCc1c[nH+]cn1C ZINC000883652061 615251598 /nfs/dbraw/zinc/25/15/98/615251598.db2.gz AQBQOFIFKJDEQR-SNVBAGLBSA-N 2 2 251.334 0.314 20 0 CCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](O)c2c[nH+]c[nH]2)C[C@H]1C ZINC000866019999 615272675 /nfs/dbraw/zinc/27/26/75/615272675.db2.gz HTCPCEXNMCYNLD-MDZLAQPJSA-N 2 2 280.372 0.774 20 0 CCADLP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](O)c2c[nH+]c[nH]2)C[C@H]1C ZINC000866019999 615272676 /nfs/dbraw/zinc/27/26/76/615272676.db2.gz HTCPCEXNMCYNLD-MDZLAQPJSA-N 2 2 280.372 0.774 20 0 CCADLP CCOCCOCC[N@@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000923413638 615275225 /nfs/dbraw/zinc/27/52/25/615275225.db2.gz WRLMLOPJKJXPMD-STQMWFEESA-N 2 2 260.378 0.478 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000947762705 615281104 /nfs/dbraw/zinc/28/11/04/615281104.db2.gz YUNHKHGNEGHIHZ-QWRGUYRKSA-N 2 2 250.346 0.941 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000947762705 615281106 /nfs/dbraw/zinc/28/11/06/615281106.db2.gz YUNHKHGNEGHIHZ-QWRGUYRKSA-N 2 2 250.346 0.941 20 0 CCADLP CCOCC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880136911 615300533 /nfs/dbraw/zinc/30/05/33/615300533.db2.gz UPEWJGAFGRIJOG-BFHYXJOUSA-N 2 2 256.390 0.942 20 0 CCADLP CCOCC[C@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880136911 615300535 /nfs/dbraw/zinc/30/05/35/615300535.db2.gz UPEWJGAFGRIJOG-BFHYXJOUSA-N 2 2 256.390 0.942 20 0 CCADLP CCOCC[C@H](O)C[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880136911 615300537 /nfs/dbraw/zinc/30/05/37/615300537.db2.gz UPEWJGAFGRIJOG-BFHYXJOUSA-N 2 2 256.390 0.942 20 0 CCADLP CCOCC[C@H](O)C[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880136911 615300539 /nfs/dbraw/zinc/30/05/39/615300539.db2.gz UPEWJGAFGRIJOG-BFHYXJOUSA-N 2 2 256.390 0.942 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000890061988 615313423 /nfs/dbraw/zinc/31/34/23/615313423.db2.gz MZZJLBZQVUTPHT-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000890061988 615313426 /nfs/dbraw/zinc/31/34/26/615313426.db2.gz MZZJLBZQVUTPHT-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP CC[N@@H+]1CC[C@H]2OCCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C1 ZINC000908416770 615329522 /nfs/dbraw/zinc/32/95/22/615329522.db2.gz BZRKOVNHJYPSAF-QWHCGFSZSA-N 2 2 278.356 0.274 20 0 CCADLP CC[N@H+]1CC[C@H]2OCCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C1 ZINC000908416770 615329526 /nfs/dbraw/zinc/32/95/26/615329526.db2.gz BZRKOVNHJYPSAF-QWHCGFSZSA-N 2 2 278.356 0.274 20 0 CCADLP CC[C@@H](C(=O)N(C)[C@H]1CC[NH2+]C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911786801 615367646 /nfs/dbraw/zinc/36/76/46/615367646.db2.gz FBSNZTPSQHQMCQ-MJBXVCDLSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@@H](C(=O)N(C)[C@H]1CC[NH2+]C1)[N@H+]1CCO[C@H](CC)C1 ZINC000911786801 615367650 /nfs/dbraw/zinc/36/76/50/615367650.db2.gz FBSNZTPSQHQMCQ-MJBXVCDLSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@@H](C(=O)NC[C@H]1CCC[NH2+]C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911703608 615382546 /nfs/dbraw/zinc/38/25/46/615382546.db2.gz GWYCIHCDHDQCBC-ZNMIVQPWSA-N 2 2 297.443 0.992 20 0 CCADLP CC[C@@H](C(=O)NC[C@H]1CCC[NH2+]C1)[N@H+]1CCO[C@H](CC)C1 ZINC000911703608 615382550 /nfs/dbraw/zinc/38/25/50/615382550.db2.gz GWYCIHCDHDQCBC-ZNMIVQPWSA-N 2 2 297.443 0.992 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1NCc1cc(N)cc[nH+]1 ZINC000925768699 615387770 /nfs/dbraw/zinc/38/77/70/615387770.db2.gz VXARPNZNFUSQJQ-RYUDHWBXSA-N 2 2 264.329 0.047 20 0 CCADLP CCO[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)C[NH+](C)C ZINC000831712696 615408692 /nfs/dbraw/zinc/40/86/92/615408692.db2.gz FAUSKFOZHZXNSU-STQMWFEESA-N 2 2 294.399 0.528 20 0 CCADLP CCO[C@@H](CNCc1c[nH+]c2n1CCC2)C[NH+](C)C ZINC000922756718 615410092 /nfs/dbraw/zinc/41/00/92/615410092.db2.gz TYQQVQVMZYSGLD-ZDUSSCGKSA-N 2 2 266.389 0.886 20 0 CCADLP CC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000977641252 615414557 /nfs/dbraw/zinc/41/45/57/615414557.db2.gz CJEVXJOVHILGFD-NSHDSACASA-N 2 2 250.346 0.730 20 0 CCADLP CC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000977641252 615414558 /nfs/dbraw/zinc/41/45/58/615414558.db2.gz CJEVXJOVHILGFD-NSHDSACASA-N 2 2 250.346 0.730 20 0 CCADLP CC[C@@H](C)[NH+]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000909262614 615457157 /nfs/dbraw/zinc/45/71/57/615457157.db2.gz UUWNQYATJJXDPX-LLVKDONJSA-N 2 2 250.346 0.895 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC000928645269 615476810 /nfs/dbraw/zinc/47/68/10/615476810.db2.gz XAZHKPRJOIONRB-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[NH+]1CCC1 ZINC000925589886 615478431 /nfs/dbraw/zinc/47/84/31/615478431.db2.gz CLRJJGKWYYZFSQ-ZDUSSCGKSA-N 2 2 284.404 0.102 20 0 CCADLP CCO[C@H](CNC(=O)CCc1[nH]cc[nH+]1)C[NH+](C)C ZINC000831723698 615480749 /nfs/dbraw/zinc/48/07/49/615480749.db2.gz JFFJDZHUIKGCNG-LLVKDONJSA-N 2 2 268.361 0.425 20 0 CCADLP CCO[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C[NH+](C)C ZINC000831714701 615482855 /nfs/dbraw/zinc/48/28/55/615482855.db2.gz XOEUKTAOPREJED-JHJVBQTASA-N 2 2 294.399 0.607 20 0 CCADLP CC[C@@H](CO)Nc1cc(NC[C@@H]2CC[N@@H+]2C)nc[nH+]1 ZINC000895767664 615491620 /nfs/dbraw/zinc/49/16/20/615491620.db2.gz PCFDGOXOSZSBSL-QWRGUYRKSA-N 2 2 265.361 0.775 20 0 CCADLP CC[C@@H](CO)Nc1cc(NC[C@@H]2CC[N@H+]2C)nc[nH+]1 ZINC000895767664 615491622 /nfs/dbraw/zinc/49/16/22/615491622.db2.gz PCFDGOXOSZSBSL-QWRGUYRKSA-N 2 2 265.361 0.775 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)N2CCO[C@H](C)C2)CC[C@@H]1[NH3+] ZINC000122806526 615563107 /nfs/dbraw/zinc/56/31/07/615563107.db2.gz XENDMCVBJLCZKE-UPJWGTAASA-N 2 2 269.389 0.293 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)N2CCO[C@H](C)C2)CC[C@@H]1[NH3+] ZINC000122806526 615563108 /nfs/dbraw/zinc/56/31/08/615563108.db2.gz XENDMCVBJLCZKE-UPJWGTAASA-N 2 2 269.389 0.293 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000877434010 615568331 /nfs/dbraw/zinc/56/83/31/615568331.db2.gz LWTDKFAKYHLHMW-YCPHGPKFSA-N 2 2 295.427 0.603 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000877434010 615568332 /nfs/dbraw/zinc/56/83/32/615568332.db2.gz LWTDKFAKYHLHMW-YCPHGPKFSA-N 2 2 295.427 0.603 20 0 CCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865907542 615710247 /nfs/dbraw/zinc/71/02/47/615710247.db2.gz TUAZLGUAEAFIJB-IYKSTZQJSA-N 2 2 295.427 0.865 20 0 CCADLP CCc1nn(C)c(Cl)c1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000843052981 615793853 /nfs/dbraw/zinc/79/38/53/615793853.db2.gz RYFXFWGVAOAERB-UHFFFAOYSA-N 2 2 299.850 0.973 20 0 CCADLP CCc1nn(C)c(Cl)c1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000843052981 615793856 /nfs/dbraw/zinc/79/38/56/615793856.db2.gz RYFXFWGVAOAERB-UHFFFAOYSA-N 2 2 299.850 0.973 20 0 CCADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CCC([NH2+]CCO)CC1 ZINC000963954552 615827006 /nfs/dbraw/zinc/82/70/06/615827006.db2.gz CHJQYUGVLCSSDX-UHFFFAOYSA-N 2 2 280.372 0.304 20 0 CCADLP C[NH+](C)C1(C(=O)N2CC[NH2+][C@H](c3ccc(O)cc3)C2)CC1 ZINC000870089511 615840760 /nfs/dbraw/zinc/84/07/60/615840760.db2.gz CQYGKDIACBETHE-AWEZNQCLSA-N 2 2 289.379 0.959 20 0 CCADLP C[NH+](C)C1(CNC(=O)/C=C/C[NH+]2CCOCC2)CCCC1 ZINC000864893933 615846294 /nfs/dbraw/zinc/84/62/94/615846294.db2.gz SECMNAXAAKUNNZ-AATRIKPKSA-N 2 2 295.427 0.865 20 0 CCADLP C[NH+](C)C1(C[NH2+][C@H]2CN3C[C@@H]2CCC3)CCOCC1 ZINC000925063373 615852161 /nfs/dbraw/zinc/85/21/61/615852161.db2.gz SEQLRBMXZHBJBH-KBPBESRZSA-N 2 2 267.417 0.781 20 0 CCADLP CN(C)c1cc(Cn2cc(CC[NH+](C)C)nn2)cc[nH+]1 ZINC000881367253 615914727 /nfs/dbraw/zinc/91/47/27/615914727.db2.gz WWMLWZITVWDSLK-UHFFFAOYSA-N 2 2 274.372 0.892 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CCSC ZINC000877433340 615926322 /nfs/dbraw/zinc/92/63/22/615926322.db2.gz PLEGBFHKJRYSJV-RYUDHWBXSA-N 2 2 289.445 0.294 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CCSC ZINC000877433340 615926324 /nfs/dbraw/zinc/92/63/24/615926324.db2.gz PLEGBFHKJRYSJV-RYUDHWBXSA-N 2 2 289.445 0.294 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CCSC ZINC000877434321 615927342 /nfs/dbraw/zinc/92/73/42/615927342.db2.gz PLEGBFHKJRYSJV-NWDGAFQWSA-N 2 2 289.445 0.294 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H]([NH3+])CCSC ZINC000877434321 615927345 /nfs/dbraw/zinc/92/73/45/615927345.db2.gz PLEGBFHKJRYSJV-NWDGAFQWSA-N 2 2 289.445 0.294 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000825856659 615936089 /nfs/dbraw/zinc/93/60/89/615936089.db2.gz ZVYUUYPTUWEEPV-LBPRGKRZSA-N 2 2 296.400 0.330 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@H]2CCC(=O)O2)C1 ZINC000878866533 615937447 /nfs/dbraw/zinc/93/74/47/615937447.db2.gz UPAMGHTVWLWTNC-YPMHNXCESA-N 2 2 256.346 0.081 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@H]2CCC(=O)O2)C1 ZINC000878866533 615937450 /nfs/dbraw/zinc/93/74/50/615937450.db2.gz UPAMGHTVWLWTNC-YPMHNXCESA-N 2 2 256.346 0.081 20 0 CCADLP C[NH+](C)C[C@H](N)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000877247182 615942366 /nfs/dbraw/zinc/94/23/66/615942366.db2.gz DNONNGSPUWIDER-UONOGXRCSA-N 2 2 276.384 0.178 20 0 CCADLP C[NH+](C)C[C@H](N)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000877247182 615942369 /nfs/dbraw/zinc/94/23/69/615942369.db2.gz DNONNGSPUWIDER-UONOGXRCSA-N 2 2 276.384 0.178 20 0 CCADLP C[NH+](C)C[C@](C)(O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935051540 615951296 /nfs/dbraw/zinc/95/12/96/615951296.db2.gz KYPRHQGAJVYIOG-CQSZACIVSA-N 2 2 276.340 0.605 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N2CC[C@H]([N@H+](C)CCF)C2)no1 ZINC000971833708 615953021 /nfs/dbraw/zinc/95/30/21/615953021.db2.gz ZSVWYMJULWIUCC-NSHDSACASA-N 2 2 298.362 0.852 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N2CC[C@H]([N@@H+](C)CCF)C2)no1 ZINC000971833708 615953022 /nfs/dbraw/zinc/95/30/22/615953022.db2.gz ZSVWYMJULWIUCC-NSHDSACASA-N 2 2 298.362 0.852 20 0 CCADLP CC[C@](C)(O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932576182 615954149 /nfs/dbraw/zinc/95/41/49/615954149.db2.gz LAEJICMLCGECMP-HOCLYGCPSA-N 2 2 297.443 0.774 20 0 CCADLP CC[C@](C)(O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932576182 615954151 /nfs/dbraw/zinc/95/41/51/615954151.db2.gz LAEJICMLCGECMP-HOCLYGCPSA-N 2 2 297.443 0.774 20 0 CCADLP C[NH+](C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCF)C1)c1cccnc1 ZINC000970816873 615987657 /nfs/dbraw/zinc/98/76/57/615987657.db2.gz ZFMLMXUQOIRJRL-KGLIPLIRSA-N 2 2 294.374 0.844 20 0 CCADLP C[NH+](C)[C@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000799168975 615992490 /nfs/dbraw/zinc/99/24/90/615992490.db2.gz TVUMMLCYEXXRGQ-QWRGUYRKSA-N 2 2 253.346 0.208 20 0 CCADLP C[NH+](C)[C@H]1CCC[N@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000799168975 615992491 /nfs/dbraw/zinc/99/24/91/615992491.db2.gz TVUMMLCYEXXRGQ-QWRGUYRKSA-N 2 2 253.346 0.208 20 0 CCADLP C[NH+](C)[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC000912599659 615995938 /nfs/dbraw/zinc/99/59/38/615995938.db2.gz JPNIQHUSVWUGBS-RYUDHWBXSA-N 2 2 262.357 0.872 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H](O)COc3ccccc3)C[C@H]21 ZINC000931284110 615998179 /nfs/dbraw/zinc/99/81/79/615998179.db2.gz PXODRXOWEBHYBN-OJLVUWQFSA-N 2 2 276.380 0.918 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)COc3ccccc3)C[C@H]21 ZINC000931284110 615998183 /nfs/dbraw/zinc/99/81/83/615998183.db2.gz PXODRXOWEBHYBN-OJLVUWQFSA-N 2 2 276.380 0.918 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H]3CC4(CC4)C(=O)O3)C[C@H]21 ZINC000931277994 615998557 /nfs/dbraw/zinc/99/85/57/615998557.db2.gz VGCAXHAIZHEZOS-WYUUTHIRSA-N 2 2 250.342 0.574 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H]3CC4(CC4)C(=O)O3)C[C@H]21 ZINC000931277994 615998560 /nfs/dbraw/zinc/99/85/60/615998560.db2.gz VGCAXHAIZHEZOS-WYUUTHIRSA-N 2 2 250.342 0.574 20 0 CCADLP CN(C)c1cc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)nc[nH+]1 ZINC000892143705 616010504 /nfs/dbraw/zinc/01/05/04/616010504.db2.gz LOKZRJLUHUPXDN-NWDGAFQWSA-N 2 2 277.372 0.818 20 0 CCADLP CN(C)c1cc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)nc[nH+]1 ZINC000892143705 616010508 /nfs/dbraw/zinc/01/05/08/616010508.db2.gz LOKZRJLUHUPXDN-NWDGAFQWSA-N 2 2 277.372 0.818 20 0 CCADLP CN(C)c1cc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)[nH+]cn1 ZINC000892143705 616010509 /nfs/dbraw/zinc/01/05/09/616010509.db2.gz LOKZRJLUHUPXDN-NWDGAFQWSA-N 2 2 277.372 0.818 20 0 CCADLP CN(C)c1cc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)[nH+]cn1 ZINC000892143705 616010511 /nfs/dbraw/zinc/01/05/11/616010511.db2.gz LOKZRJLUHUPXDN-NWDGAFQWSA-N 2 2 277.372 0.818 20 0 CCADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000898889084 616049093 /nfs/dbraw/zinc/04/90/93/616049093.db2.gz NUPUHYKIJZRBGH-GHMZBOCLSA-N 2 2 298.412 0.007 20 0 CCADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000898889084 616049094 /nfs/dbraw/zinc/04/90/94/616049094.db2.gz NUPUHYKIJZRBGH-GHMZBOCLSA-N 2 2 298.412 0.007 20 0 CCADLP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000866283409 616059580 /nfs/dbraw/zinc/05/95/80/616059580.db2.gz XUXNERCRJDJEBK-GXTWGEPZSA-N 2 2 292.383 0.633 20 0 CCADLP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000866283409 616059581 /nfs/dbraw/zinc/05/95/81/616059581.db2.gz XUXNERCRJDJEBK-GXTWGEPZSA-N 2 2 292.383 0.633 20 0 CCADLP CN(CCC[NH+]1CCCC1)C(=O)Cc1[nH]cc[nH+]1 ZINC000847095304 616074505 /nfs/dbraw/zinc/07/45/05/616074505.db2.gz BSSCVXSARRYRJS-UHFFFAOYSA-N 2 2 250.346 0.897 20 0 CCADLP CN(CCCn1cc[nH+]c1)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923630893 616076764 /nfs/dbraw/zinc/07/67/64/616076764.db2.gz NIOSMKGYPTZZAI-GFCCVEGCSA-N 2 2 286.401 0.287 20 0 CCADLP C[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C[C@@H]1COCCO1 ZINC000903933231 616098527 /nfs/dbraw/zinc/09/85/27/616098527.db2.gz MOZXMGJTXWLXLY-TZMCWYRMSA-N 2 2 295.387 0.050 20 0 CCADLP C[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C[C@@H]1COCCO1 ZINC000903933231 616098528 /nfs/dbraw/zinc/09/85/28/616098528.db2.gz MOZXMGJTXWLXLY-TZMCWYRMSA-N 2 2 295.387 0.050 20 0 CCADLP C[N@H+](Cc1[nH]nc2c1COCC2)CC(C)(C)C[NH3+] ZINC000903717710 616101161 /nfs/dbraw/zinc/10/11/61/616101161.db2.gz TWBQGRTURNQQPK-UHFFFAOYSA-N 2 2 252.362 0.899 20 0 CCADLP C[N@@H+](Cc1[nH]nc2c1COCC2)CC(C)(C)C[NH3+] ZINC000903717710 616101162 /nfs/dbraw/zinc/10/11/62/616101162.db2.gz TWBQGRTURNQQPK-UHFFFAOYSA-N 2 2 252.362 0.899 20 0 CCADLP C[N@@H+](Cc1nccs1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923325268 616107657 /nfs/dbraw/zinc/10/76/57/616107657.db2.gz SNNVQALWBHUYAI-JTQLQIEISA-N 2 2 253.371 0.953 20 0 CCADLP C[N@H+](Cc1nccs1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923325268 616107659 /nfs/dbraw/zinc/10/76/59/616107659.db2.gz SNNVQALWBHUYAI-JTQLQIEISA-N 2 2 253.371 0.953 20 0 CCADLP C[NH+]1CCC2(CC1)C[N@H+](CC[S@@](C)=O)CCO2 ZINC000830652550 616177102 /nfs/dbraw/zinc/17/71/02/616177102.db2.gz PDNWEJWBLRVJEI-QGZVFWFLSA-N 2 2 260.403 0.162 20 0 CCADLP C[NH+]1CCC2(CC1)C[N@@H+](CC[S@@](C)=O)CCO2 ZINC000830652550 616177103 /nfs/dbraw/zinc/17/71/03/616177103.db2.gz PDNWEJWBLRVJEI-QGZVFWFLSA-N 2 2 260.403 0.162 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CC[S@](C)=O)CC1 ZINC000827905871 616185103 /nfs/dbraw/zinc/18/51/03/616185103.db2.gz BQNJRYMFALCMFE-LIRRHRJNSA-N 2 2 287.473 0.467 20 0 CCADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CC[S@](C)=O)CC1 ZINC000827905871 616185104 /nfs/dbraw/zinc/18/51/04/616185104.db2.gz BQNJRYMFALCMFE-LIRRHRJNSA-N 2 2 287.473 0.467 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1C2CCC1(C(N)=O)CC2 ZINC000932936090 616195288 /nfs/dbraw/zinc/19/52/88/616195288.db2.gz FKFNKXXOMZWPNW-LKSINWNRSA-N 2 2 251.374 0.953 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1C2CCC1(C(N)=O)CC2 ZINC000932936090 616195289 /nfs/dbraw/zinc/19/52/89/616195289.db2.gz FKFNKXXOMZWPNW-LKSINWNRSA-N 2 2 251.374 0.953 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1C2CCC1(C(N)=O)CC2 ZINC000932936090 616195290 /nfs/dbraw/zinc/19/52/90/616195290.db2.gz FKFNKXXOMZWPNW-LKSINWNRSA-N 2 2 251.374 0.953 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1C2CCC1(C(N)=O)CC2 ZINC000932936090 616195291 /nfs/dbraw/zinc/19/52/91/616195291.db2.gz FKFNKXXOMZWPNW-LKSINWNRSA-N 2 2 251.374 0.953 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H](O)Cn1cccn1 ZINC000880133862 616199445 /nfs/dbraw/zinc/19/94/45/616199445.db2.gz QSZNGIPLYMWSBN-MELADBBJSA-N 2 2 264.373 0.413 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H](O)Cn1cccn1 ZINC000880133862 616199446 /nfs/dbraw/zinc/19/94/46/616199446.db2.gz QSZNGIPLYMWSBN-MELADBBJSA-N 2 2 264.373 0.413 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H](O)Cn1cccn1 ZINC000880133862 616199447 /nfs/dbraw/zinc/19/94/47/616199447.db2.gz QSZNGIPLYMWSBN-MELADBBJSA-N 2 2 264.373 0.413 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@H](O)Cn1cccn1 ZINC000880133862 616199448 /nfs/dbraw/zinc/19/94/48/616199448.db2.gz QSZNGIPLYMWSBN-MELADBBJSA-N 2 2 264.373 0.413 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH+](CC(N)=O)C1CCOCC1 ZINC000880394784 616213249 /nfs/dbraw/zinc/21/32/49/616213249.db2.gz SUIZOTVMXCYYHM-LBPRGKRZSA-N 2 2 269.389 0.437 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH+](CC(N)=O)C1CCOCC1 ZINC000880394784 616213250 /nfs/dbraw/zinc/21/32/50/616213250.db2.gz SUIZOTVMXCYYHM-LBPRGKRZSA-N 2 2 269.389 0.437 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@H+](CC(N)=O)C1CCOCC1 ZINC000880394784 616213251 /nfs/dbraw/zinc/21/32/51/616213251.db2.gz SUIZOTVMXCYYHM-LBPRGKRZSA-N 2 2 269.389 0.437 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@@H+](CC(N)=O)C1CCOCC1 ZINC000880394784 616213252 /nfs/dbraw/zinc/21/32/52/616213252.db2.gz SUIZOTVMXCYYHM-LBPRGKRZSA-N 2 2 269.389 0.437 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925615837 616223648 /nfs/dbraw/zinc/22/36/48/616223648.db2.gz ISEGXGQSSUFHBQ-OLZOCXBDSA-N 3 2 282.432 0.256 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000924839389 616223791 /nfs/dbraw/zinc/22/37/91/616223791.db2.gz LXCMHXGVRSZUIM-LSDHHAIUSA-N 2 2 294.443 0.367 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)C[C@@H]1CO ZINC000913540155 616227304 /nfs/dbraw/zinc/22/73/04/616227304.db2.gz PHBTUOXFRJHDSJ-MJBXVCDLSA-N 2 2 281.400 0.138 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)C[C@@H]1CO ZINC000913540155 616227305 /nfs/dbraw/zinc/22/73/05/616227305.db2.gz PHBTUOXFRJHDSJ-MJBXVCDLSA-N 2 2 281.400 0.138 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C[C@@H]1CO ZINC000913540155 616227306 /nfs/dbraw/zinc/22/73/06/616227306.db2.gz PHBTUOXFRJHDSJ-MJBXVCDLSA-N 2 2 281.400 0.138 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C[C@@H]1CO ZINC000913540155 616227307 /nfs/dbraw/zinc/22/73/07/616227307.db2.gz PHBTUOXFRJHDSJ-MJBXVCDLSA-N 2 2 281.400 0.138 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)[C@@H](CO)C1 ZINC000912734927 616227390 /nfs/dbraw/zinc/22/73/90/616227390.db2.gz RSFSLSAFHQYWAQ-MJBXVCDLSA-N 2 2 281.400 0.138 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)[C@@H](CO)C1 ZINC000912734927 616227391 /nfs/dbraw/zinc/22/73/91/616227391.db2.gz RSFSLSAFHQYWAQ-MJBXVCDLSA-N 2 2 281.400 0.138 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)[C@@H](CO)C1 ZINC000912734927 616227392 /nfs/dbraw/zinc/22/73/92/616227392.db2.gz RSFSLSAFHQYWAQ-MJBXVCDLSA-N 2 2 281.400 0.138 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)[C@@H](CO)C1 ZINC000912734927 616227393 /nfs/dbraw/zinc/22/73/93/616227393.db2.gz RSFSLSAFHQYWAQ-MJBXVCDLSA-N 2 2 281.400 0.138 20 0 CCADLP CN1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](C[NH3+])C1 ZINC000911879761 616229994 /nfs/dbraw/zinc/22/99/94/616229994.db2.gz PGSKYZTZKHIOMA-NSHDSACASA-N 2 2 273.340 0.278 20 0 CCADLP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925604841 616232928 /nfs/dbraw/zinc/23/29/28/616232928.db2.gz AQPUHSSSCHYAFQ-AWEZNQCLSA-N 3 2 280.460 0.887 20 0 CCADLP C[NH+]1CCN(C2CCN(C(=O)[C@@H]3[NH2+]CC3(C)C)CC2)CC1 ZINC000870982009 616238922 /nfs/dbraw/zinc/23/89/22/616238922.db2.gz UYJSNMRBJNTFQU-AWEZNQCLSA-N 2 2 294.443 0.223 20 0 CCADLP C[N@@H+]1CC[C@H]1CNC(=O)NCCCCN1CC[NH+](C)CC1 ZINC000919509414 616240411 /nfs/dbraw/zinc/24/04/11/616240411.db2.gz NWYLGQVCTJWGBL-AWEZNQCLSA-N 2 2 297.447 0.017 20 0 CCADLP C[N@H+]1CC[C@H]1CNC(=O)NCCCCN1CC[NH+](C)CC1 ZINC000919509414 616240412 /nfs/dbraw/zinc/24/04/12/616240412.db2.gz NWYLGQVCTJWGBL-AWEZNQCLSA-N 2 2 297.447 0.017 20 0 CCADLP C[NH+]1CCN(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000929582123 616241880 /nfs/dbraw/zinc/24/18/80/616241880.db2.gz PVIANDPWZANKPA-UHFFFAOYSA-N 2 2 287.367 0.540 20 0 CCADLP C[N@@H+]1CCN(Cc2cn(-c3ccccc3)nn2)[C@H](C[NH3+])C1 ZINC000843120467 616245595 /nfs/dbraw/zinc/24/55/95/616245595.db2.gz LJKMOQIRZVFMPJ-OAHLLOKOSA-N 2 2 286.383 0.342 20 0 CCADLP C[N@H+]1CCN(Cc2cn(-c3ccccc3)nn2)[C@H](C[NH3+])C1 ZINC000843120467 616245596 /nfs/dbraw/zinc/24/55/96/616245596.db2.gz LJKMOQIRZVFMPJ-OAHLLOKOSA-N 2 2 286.383 0.342 20 0 CCADLP COC(=O)/C(C)=C/C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000905532366 616291788 /nfs/dbraw/zinc/29/17/88/616291788.db2.gz QQLBOYIIPYASLN-GCZGVDRJSA-N 2 2 256.346 0.150 20 0 CCADLP COC(=O)/C(C)=C/C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000905532366 616291791 /nfs/dbraw/zinc/29/17/91/616291791.db2.gz QQLBOYIIPYASLN-GCZGVDRJSA-N 2 2 256.346 0.150 20 0 CCADLP C[N@@H+]1CC[C@@H]1CNC(=O)NCCCCn1cc[nH+]c1 ZINC000914308172 616292875 /nfs/dbraw/zinc/29/28/75/616292875.db2.gz NVBLQWAGJTZNQD-GFCCVEGCSA-N 2 2 265.361 0.667 20 0 CCADLP C[N@H+]1CC[C@@H]1CNC(=O)NCCCCn1cc[nH+]c1 ZINC000914308172 616292877 /nfs/dbraw/zinc/29/28/77/616292877.db2.gz NVBLQWAGJTZNQD-GFCCVEGCSA-N 2 2 265.361 0.667 20 0 CCADLP COC(=O)[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C[C@@H]1C ZINC000852653040 616310439 /nfs/dbraw/zinc/31/04/39/616310439.db2.gz JTUWNQLHGHJMDP-BFHYXJOUSA-N 2 2 284.400 0.574 20 0 CCADLP COC(=O)[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C[C@@H]1C ZINC000852653040 616310441 /nfs/dbraw/zinc/31/04/41/616310441.db2.gz JTUWNQLHGHJMDP-BFHYXJOUSA-N 2 2 284.400 0.574 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)NCCn3cc[nH+]c3)CC[C@H]21 ZINC000864423324 616319258 /nfs/dbraw/zinc/31/92/58/616319258.db2.gz URNJMNZYXQFBFK-CHWSQXEVSA-N 2 2 277.372 0.619 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)NCCn3cc[nH+]c3)CC[C@H]21 ZINC000864423324 616319264 /nfs/dbraw/zinc/31/92/64/616319264.db2.gz URNJMNZYXQFBFK-CHWSQXEVSA-N 2 2 277.372 0.619 20 0 CCADLP C[N@@H+]1CC[C@@H]2C[NH+](CCc3nnn(C(C)(C)C)n3)CC[C@@H]21 ZINC000879578845 616333318 /nfs/dbraw/zinc/33/33/18/616333318.db2.gz HMXOGGJPQCMLPI-OLZOCXBDSA-N 2 2 292.431 0.997 20 0 CCADLP C[N@H+]1CC[C@@H]2C[NH+](CCc3nnn(C(C)(C)C)n3)CC[C@@H]21 ZINC000879578845 616333323 /nfs/dbraw/zinc/33/33/23/616333323.db2.gz HMXOGGJPQCMLPI-OLZOCXBDSA-N 2 2 292.431 0.997 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@H+](CCc3nnn(C(C)(C)C)n3)CC[C@@H]21 ZINC000879578845 616333326 /nfs/dbraw/zinc/33/33/26/616333326.db2.gz HMXOGGJPQCMLPI-OLZOCXBDSA-N 2 2 292.431 0.997 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@@H+](CCc3nnn(C(C)(C)C)n3)CC[C@@H]21 ZINC000879578845 616333332 /nfs/dbraw/zinc/33/33/32/616333332.db2.gz HMXOGGJPQCMLPI-OLZOCXBDSA-N 2 2 292.431 0.997 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C[C@H]1CCC(=O)N1 ZINC000813324834 616348051 /nfs/dbraw/zinc/34/80/51/616348051.db2.gz BFUCALUVEBZNBU-BFHYXJOUSA-N 2 2 283.416 0.744 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C[C@H]1CCC(=O)N1 ZINC000813324834 616348053 /nfs/dbraw/zinc/34/80/53/616348053.db2.gz BFUCALUVEBZNBU-BFHYXJOUSA-N 2 2 283.416 0.744 20 0 CCADLP Cn1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c(C2CC2)n1 ZINC000893605987 616350202 /nfs/dbraw/zinc/35/02/02/616350202.db2.gz LLVPQRIWMTXICC-CQSZACIVSA-N 2 2 264.373 0.454 20 0 CCADLP Cn1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c(C2CC2)n1 ZINC000893605987 616350205 /nfs/dbraw/zinc/35/02/05/616350205.db2.gz LLVPQRIWMTXICC-CQSZACIVSA-N 2 2 264.373 0.454 20 0 CCADLP C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)C2 ZINC000868633466 616351094 /nfs/dbraw/zinc/35/10/94/616351094.db2.gz FQCUKUOIZMBQPB-JSGCOSHPSA-N 2 2 278.356 0.387 20 0 CCADLP C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)C2 ZINC000868633466 616351098 /nfs/dbraw/zinc/35/10/98/616351098.db2.gz FQCUKUOIZMBQPB-JSGCOSHPSA-N 2 2 278.356 0.387 20 0 CCADLP COCC[NH+]1CCN(c2nc(N)cc(C)[nH+]2)CC1 ZINC000891625776 616376020 /nfs/dbraw/zinc/37/60/20/616376020.db2.gz QXVCBYGXDXNDEV-UHFFFAOYSA-N 2 2 251.334 0.136 20 0 CCADLP COC/C(C)=C\C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000929845844 616387532 /nfs/dbraw/zinc/38/75/32/616387532.db2.gz MDMGYRGRVMJKQH-HWIKDYBBSA-N 2 2 295.427 0.818 20 0 CCADLP COC/C(C)=C\C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000929845844 616387534 /nfs/dbraw/zinc/38/75/34/616387534.db2.gz MDMGYRGRVMJKQH-HWIKDYBBSA-N 2 2 295.427 0.818 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000948091054 616416091 /nfs/dbraw/zinc/41/60/91/616416091.db2.gz SQIZXDFTDHVZQG-STQMWFEESA-N 2 2 280.372 0.499 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000948091054 616416093 /nfs/dbraw/zinc/41/60/93/616416093.db2.gz SQIZXDFTDHVZQG-STQMWFEESA-N 2 2 280.372 0.499 20 0 CCADLP CN1C[C@H](CC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1=O ZINC000925814261 616431520 /nfs/dbraw/zinc/43/15/20/616431520.db2.gz ZXWOIMCEGROHPM-OSAQELSMSA-N 2 2 281.400 0.211 20 0 CCADLP COC(=O)C1=NO[C@]2(CC[N@H+](CC[C@H]3CCC[NH+]3C)C2)C1 ZINC000879483547 616439937 /nfs/dbraw/zinc/43/99/37/616439937.db2.gz IXDNAKWSQASVFP-IUODEOHRSA-N 2 2 295.383 0.865 20 0 CCADLP COC(=O)C1=NO[C@]2(CC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)C1 ZINC000879483547 616439942 /nfs/dbraw/zinc/43/99/42/616439942.db2.gz IXDNAKWSQASVFP-IUODEOHRSA-N 2 2 295.383 0.865 20 0 CCADLP COC(=O)C1=NO[C@]2(CC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC000879483547 616439945 /nfs/dbraw/zinc/43/99/45/616439945.db2.gz IXDNAKWSQASVFP-IUODEOHRSA-N 2 2 295.383 0.865 20 0 CCADLP COC(=O)C1=NO[C@]2(CC[NH+](CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC000879483547 616439950 /nfs/dbraw/zinc/43/99/50/616439950.db2.gz IXDNAKWSQASVFP-IUODEOHRSA-N 2 2 295.383 0.865 20 0 CCADLP C[N@@H+]1CC[C@H]2CN(CC[NH+]3CCOCC3)CC[C@@H]21 ZINC000879572678 616444928 /nfs/dbraw/zinc/44/49/28/616444928.db2.gz IYRJBGVTZMVXDI-KBPBESRZSA-N 2 2 253.390 0.345 20 0 CCADLP C[N@H+]1CC[C@H]2CN(CC[NH+]3CCOCC3)CC[C@@H]21 ZINC000879572678 616444931 /nfs/dbraw/zinc/44/49/31/616444931.db2.gz IYRJBGVTZMVXDI-KBPBESRZSA-N 2 2 253.390 0.345 20 0 CCADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000877247495 616519445 /nfs/dbraw/zinc/51/94/45/616519445.db2.gz MXNQTLPAZZJLQM-BFHYXJOUSA-N 2 2 275.352 0.406 20 0 CCADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000877247495 616519449 /nfs/dbraw/zinc/51/94/49/616519449.db2.gz MXNQTLPAZZJLQM-BFHYXJOUSA-N 2 2 275.352 0.406 20 0 CCADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000877247636 616519794 /nfs/dbraw/zinc/51/97/94/616519794.db2.gz SOAUYLGKKHEHCR-GDBMZVCRSA-N 2 2 289.379 0.668 20 0 CCADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000877247636 616519798 /nfs/dbraw/zinc/51/97/98/616519798.db2.gz SOAUYLGKKHEHCR-GDBMZVCRSA-N 2 2 289.379 0.668 20 0 CCADLP CNC(=[NH2+])NCC1([NH+]2CCOCC2)CCCCC1 ZINC000848981281 616533380 /nfs/dbraw/zinc/53/33/80/616533380.db2.gz PVSUUDNFHDBQRT-UHFFFAOYSA-N 2 2 254.378 0.765 20 0 CCADLP COC(=O)[C@@](C)(Cn1cccn1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000903864174 616535737 /nfs/dbraw/zinc/53/57/37/616535737.db2.gz STUWDYKZNXOEQM-DZGCQCFKSA-N 2 2 294.399 0.794 20 0 CCADLP COCC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000884199727 616634019 /nfs/dbraw/zinc/63/40/19/616634019.db2.gz ICWNFJHKKOMHIP-GFCCVEGCSA-N 2 2 297.424 0.586 20 0 CCADLP COC(=O)C[C@H]([NH3+])C(=O)NCCn1cc[nH+]c1C(C)C ZINC000828965150 616693105 /nfs/dbraw/zinc/69/31/05/616693105.db2.gz FJYIDJRPVBMJDP-JTQLQIEISA-N 2 2 282.344 0.013 20 0 CCADLP COC[C@H]([NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)[C@@H]1CCCOC1 ZINC000925778263 616727355 /nfs/dbraw/zinc/72/73/55/616727355.db2.gz JMISPGOIVAOSNG-TUVASFSCSA-N 2 2 286.416 0.785 20 0 CCADLP COCC(COC)[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931317033 616730141 /nfs/dbraw/zinc/73/01/41/616730141.db2.gz MEWQOVAHJJTURH-ZIAGYGMSSA-N 2 2 256.390 0.921 20 0 CCADLP COC(=O)[C@H]1[C@H](C[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1(F)F ZINC000897621855 616737916 /nfs/dbraw/zinc/73/79/16/616737916.db2.gz WXEQZCPYFBHHIH-MEWQQHAOSA-N 2 2 288.338 0.924 20 0 CCADLP COC(=O)[C@H]1[C@H](C[N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1(F)F ZINC000897621855 616737920 /nfs/dbraw/zinc/73/79/20/616737920.db2.gz WXEQZCPYFBHHIH-MEWQQHAOSA-N 2 2 288.338 0.924 20 0 CCADLP COC(=O)[C@H]1[C@H](C[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)C1(F)F ZINC000897621855 616737923 /nfs/dbraw/zinc/73/79/23/616737923.db2.gz WXEQZCPYFBHHIH-MEWQQHAOSA-N 2 2 288.338 0.924 20 0 CCADLP COC(=O)[C@H]1[C@H](C[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)C1(F)F ZINC000897621855 616737928 /nfs/dbraw/zinc/73/79/28/616737928.db2.gz WXEQZCPYFBHHIH-MEWQQHAOSA-N 2 2 288.338 0.924 20 0 CCADLP COC[C@@H](C)NC(=[NH2+])NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000849049524 616819515 /nfs/dbraw/zinc/81/95/15/616819515.db2.gz RTFHVFHHKAHGHB-XQHKEYJVSA-N 2 2 286.420 0.633 20 0 CCADLP COC[C@@H](C)NC(=[NH2+])NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000849049524 616819516 /nfs/dbraw/zinc/81/95/16/616819516.db2.gz RTFHVFHHKAHGHB-XQHKEYJVSA-N 2 2 286.420 0.633 20 0 CCADLP COC[C@@H](C)NC(=[NH2+])NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000849049516 616819950 /nfs/dbraw/zinc/81/99/50/616819950.db2.gz RTFHVFHHKAHGHB-LPWJVIDDSA-N 2 2 286.420 0.633 20 0 CCADLP COC[C@@H](C)NC(=[NH2+])NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000849049516 616819951 /nfs/dbraw/zinc/81/99/51/616819951.db2.gz RTFHVFHHKAHGHB-LPWJVIDDSA-N 2 2 286.420 0.633 20 0 CCADLP COC(=O)[C@@H](Cc1cncs1)[NH2+]CC1CC[NH2+]CC1 ZINC000873227080 616976134 /nfs/dbraw/zinc/97/61/34/616976134.db2.gz GOOKOOOISMCTOI-GFCCVEGCSA-N 2 2 283.397 0.816 20 0 CCADLP C[NH2+]C[C@H]1CCCCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000891818847 616995936 /nfs/dbraw/zinc/99/59/36/616995936.db2.gz LRBLVXPNXSEOAA-CHWSQXEVSA-N 2 2 291.399 0.981 20 0 CCADLP C[NH2+]Cc1nc(-c2ccc(N3CC[NH+](C)CC3)nc2)no1 ZINC000843197220 617003623 /nfs/dbraw/zinc/00/36/23/617003623.db2.gz CIWPTFZDFFRAGC-UHFFFAOYSA-N 2 2 288.355 0.603 20 0 CCADLP CNS(=O)(=O)CCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926783396 617013279 /nfs/dbraw/zinc/01/32/79/617013279.db2.gz GZUJXEKTYMMJCQ-STQMWFEESA-N 2 2 289.445 0.532 20 0 CCADLP CNS(=O)(=O)CCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926783396 617013281 /nfs/dbraw/zinc/01/32/81/617013281.db2.gz GZUJXEKTYMMJCQ-STQMWFEESA-N 2 2 289.445 0.532 20 0 CCADLP CON(C)C(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000846838073 617023587 /nfs/dbraw/zinc/02/35/87/617023587.db2.gz KQUQALYUJBHFSA-SNVBAGLBSA-N 2 2 252.318 0.229 20 0 CCADLP CON(C)C(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000846838073 617023590 /nfs/dbraw/zinc/02/35/90/617023590.db2.gz KQUQALYUJBHFSA-SNVBAGLBSA-N 2 2 252.318 0.229 20 0 CCADLP CNS(=O)(=O)[C@@H]1CCC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904320410 617032110 /nfs/dbraw/zinc/03/21/10/617032110.db2.gz GLIXZFOFJPORNN-OLZOCXBDSA-N 2 2 289.445 0.390 20 0 CCADLP CNS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904320410 617032112 /nfs/dbraw/zinc/03/21/12/617032112.db2.gz GLIXZFOFJPORNN-OLZOCXBDSA-N 2 2 289.445 0.390 20 0 CCADLP C[NH2+][C@@H](CC(C)C)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000884213328 617046197 /nfs/dbraw/zinc/04/61/97/617046197.db2.gz YNQGUHXOQRULLB-RDBSUJKOSA-N 2 2 285.432 0.846 20 0 CCADLP CON(C)C(=O)[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000858588894 617053692 /nfs/dbraw/zinc/05/36/92/617053692.db2.gz UDSKVOQVYORPQP-TZMCWYRMSA-N 2 2 299.415 0.628 20 0 CCADLP CNc1nc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cs1 ZINC000857308187 617069894 /nfs/dbraw/zinc/06/98/94/617069894.db2.gz IZVXAVFPANXNKN-UHFFFAOYSA-N 2 2 299.444 0.798 20 0 CCADLP CNc1nc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cs1 ZINC000857308187 617069896 /nfs/dbraw/zinc/06/98/96/617069896.db2.gz IZVXAVFPANXNKN-UHFFFAOYSA-N 2 2 299.444 0.798 20 0 CCADLP CON1CC[C@@H]([N@H+](C)CCCn2cc[nH+]c2)C1=O ZINC000930127543 617092232 /nfs/dbraw/zinc/09/22/32/617092232.db2.gz WWPNIWOEPOLETR-LLVKDONJSA-N 2 2 252.318 0.367 20 0 CCADLP CON1CC[C@@H]([N@@H+](C)CCCn2cc[nH+]c2)C1=O ZINC000930127543 617092234 /nfs/dbraw/zinc/09/22/34/617092234.db2.gz WWPNIWOEPOLETR-LLVKDONJSA-N 2 2 252.318 0.367 20 0 CCADLP CON1CC[C@@H]([N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)C1=O ZINC000930578619 617094104 /nfs/dbraw/zinc/09/41/04/617094104.db2.gz WBDSAYSTQPKRKO-TZMCWYRMSA-N 2 2 267.373 0.566 20 0 CCADLP CON1CC[C@@H]([N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)C1=O ZINC000930578619 617094106 /nfs/dbraw/zinc/09/41/06/617094106.db2.gz WBDSAYSTQPKRKO-TZMCWYRMSA-N 2 2 267.373 0.566 20 0 CCADLP CON1CC[C@@H]([NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)C1=O ZINC000930578619 617094108 /nfs/dbraw/zinc/09/41/08/617094108.db2.gz WBDSAYSTQPKRKO-TZMCWYRMSA-N 2 2 267.373 0.566 20 0 CCADLP CON1CC[C@@H]([NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)C1=O ZINC000930578619 617094110 /nfs/dbraw/zinc/09/41/10/617094110.db2.gz WBDSAYSTQPKRKO-TZMCWYRMSA-N 2 2 267.373 0.566 20 0 CCADLP CON1CC[C@@H]([N@@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)C1=O ZINC000931318849 617094393 /nfs/dbraw/zinc/09/43/93/617094393.db2.gz VHNOIUOPCOAPMA-BNOWGMLFSA-N 2 2 267.373 0.422 20 0 CCADLP CON1CC[C@@H]([N@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)C1=O ZINC000931318849 617094394 /nfs/dbraw/zinc/09/43/94/617094394.db2.gz VHNOIUOPCOAPMA-BNOWGMLFSA-N 2 2 267.373 0.422 20 0 CCADLP CON1CC[C@@H]([NH+]2C[C@@]3(C)C[N@H+](C)C[C@@]3(C)C2)C1=O ZINC000931318849 617094395 /nfs/dbraw/zinc/09/43/95/617094395.db2.gz VHNOIUOPCOAPMA-BNOWGMLFSA-N 2 2 267.373 0.422 20 0 CCADLP CON1CC[C@@H]([NH+]2C[C@@]3(C)C[N@@H+](C)C[C@@]3(C)C2)C1=O ZINC000931318849 617094396 /nfs/dbraw/zinc/09/43/96/617094396.db2.gz VHNOIUOPCOAPMA-BNOWGMLFSA-N 2 2 267.373 0.422 20 0 CCADLP CON1CC[C@H]([N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)C1=O ZINC000903445935 617098296 /nfs/dbraw/zinc/09/82/96/617098296.db2.gz OGZIRXVTLSMPEL-XQQFMLRXSA-N 2 2 267.373 0.613 20 0 CCADLP CON1CC[C@H]([N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)C1=O ZINC000903445935 617098298 /nfs/dbraw/zinc/09/82/98/617098298.db2.gz OGZIRXVTLSMPEL-XQQFMLRXSA-N 2 2 267.373 0.613 20 0 CCADLP CO[C@H]1COCC[C@@H]1[N@H+](C)CCc1c[nH+]cn1C ZINC000880436934 617114298 /nfs/dbraw/zinc/11/42/98/617114298.db2.gz DBNJAHSZMXSGEE-STQMWFEESA-N 2 2 253.346 0.698 20 0 CCADLP CO[C@H]1COCC[C@@H]1[N@@H+](C)CCc1c[nH+]cn1C ZINC000880436934 617114300 /nfs/dbraw/zinc/11/43/00/617114300.db2.gz DBNJAHSZMXSGEE-STQMWFEESA-N 2 2 253.346 0.698 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000981716853 617151776 /nfs/dbraw/zinc/15/17/76/617151776.db2.gz RVRUQIMSTIIPHO-AWEZNQCLSA-N 2 2 294.399 0.842 20 0 CCADLP CO[C@@H](C)C[N@H+]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000981716853 617151777 /nfs/dbraw/zinc/15/17/77/617151777.db2.gz RVRUQIMSTIIPHO-AWEZNQCLSA-N 2 2 294.399 0.842 20 0 CCADLP [NH3+][C@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)C12CCC2 ZINC000925504655 625322037 /nfs/dbraw/zinc/32/20/37/625322037.db2.gz QWHYJKDJNLAZOL-UONOGXRCSA-N 3 2 267.417 0.693 20 0 CCADLP O=C(NCC[NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccco1 ZINC000925515606 625345306 /nfs/dbraw/zinc/34/53/06/625345306.db2.gz FXVBBKLWHYTEKZ-GFCCVEGCSA-N 2 2 263.341 0.884 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC000925522966 625359669 /nfs/dbraw/zinc/35/96/69/625359669.db2.gz KDTREQGWYXRRMH-FZMZJTMJSA-N 2 2 277.368 0.781 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2CC[C@@H]([NH2+]CCO)[C@@H]2C1 ZINC001026324787 625398427 /nfs/dbraw/zinc/39/84/27/625398427.db2.gz QOURXDOHQKCXNG-BFHYXJOUSA-N 2 2 292.383 0.092 20 0 CCADLP Cc1ccc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)c(=O)n1C ZINC000925655223 625474553 /nfs/dbraw/zinc/47/45/53/625474553.db2.gz FRBOUXXCDDIQJL-BTFPBAQTSA-N 2 2 273.380 0.780 20 0 CCADLP Cc1cc(N)nc(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)[nH+]1 ZINC000892339440 622920270 /nfs/dbraw/zinc/92/02/70/622920270.db2.gz ICWSKUKVAJHZJH-WDEREUQCSA-N 2 2 265.361 0.888 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]Cc2ccccn2)C1 ZINC001023158701 622931982 /nfs/dbraw/zinc/93/19/82/622931982.db2.gz DPQNXXSXMQUIME-OKILXGFUSA-N 2 2 285.351 0.715 20 0 CCADLP O[C@H](C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)Cn1ccnn1 ZINC000926573870 623114643 /nfs/dbraw/zinc/11/46/43/623114643.db2.gz QXXUOIWOZISHSV-HZSPNIEDSA-N 2 2 279.388 0.246 20 0 CCADLP O[C@H](C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)Cn1ccnn1 ZINC000926573870 623114659 /nfs/dbraw/zinc/11/46/59/623114659.db2.gz QXXUOIWOZISHSV-HZSPNIEDSA-N 2 2 279.388 0.246 20 0 CCADLP O[C@H](C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)Cn1ccnn1 ZINC000926573873 623115092 /nfs/dbraw/zinc/11/50/92/623115092.db2.gz QXXUOIWOZISHSV-RDBSUJKOSA-N 2 2 279.388 0.246 20 0 CCADLP O[C@H](C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)Cn1ccnn1 ZINC000926573873 623115100 /nfs/dbraw/zinc/11/51/00/623115100.db2.gz QXXUOIWOZISHSV-RDBSUJKOSA-N 2 2 279.388 0.246 20 0 CCADLP CC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001026880608 625651721 /nfs/dbraw/zinc/65/17/21/625651721.db2.gz RGIDPYORGXHKQG-NSHDSACASA-N 2 2 250.346 0.800 20 0 CCADLP CC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001026880608 625651733 /nfs/dbraw/zinc/65/17/33/625651733.db2.gz RGIDPYORGXHKQG-NSHDSACASA-N 2 2 250.346 0.800 20 0 CCADLP O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001020571821 624531427 /nfs/dbraw/zinc/53/14/27/624531427.db2.gz VOTDTTTWNLDEOE-GMTAPVOTSA-N 2 2 278.356 0.059 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC001020635094 624555781 /nfs/dbraw/zinc/55/57/81/624555781.db2.gz FCLXTIYGCAKAGO-JHJVBQTASA-N 2 2 292.383 0.616 20 0 CCADLP C[C@H]([NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1)[C@H]1CCCC[NH2+]1 ZINC000902503904 634393758 /nfs/dbraw/zinc/39/37/58/634393758.db2.gz YOWQEDHTYDUHMB-YNEHKIRRSA-N 2 2 291.399 0.881 20 0 CCADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)N2CCc3sccc3C2)C1 ZINC000050247612 624804293 /nfs/dbraw/zinc/80/42/93/624804293.db2.gz FNVMABNVNGUQAR-LLVKDONJSA-N 2 2 279.409 0.913 20 0 CCADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)N2CCc3sccc3C2)C1 ZINC000050247612 624804294 /nfs/dbraw/zinc/80/42/94/624804294.db2.gz FNVMABNVNGUQAR-LLVKDONJSA-N 2 2 279.409 0.913 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCc1cc(N)cc[nH+]1 ZINC000891350805 624822600 /nfs/dbraw/zinc/82/26/00/624822600.db2.gz VKQPFTRGWDEWFF-NSHDSACASA-N 2 2 293.371 0.184 20 0 CCADLP Cn1c[nH+]cc1CCCO[NH+]=C(N)CCS(C)(=O)=O ZINC000902614153 634413572 /nfs/dbraw/zinc/41/35/72/634413572.db2.gz RTYUJRFYGYQRNE-UHFFFAOYSA-N 2 2 288.373 0.286 20 0 CCADLP Cc1noc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001021895727 624850511 /nfs/dbraw/zinc/85/05/11/624850511.db2.gz PVYJTAUAWJCSIW-TUAOUCFPSA-N 2 2 293.371 0.209 20 0 CCADLP Cc1noc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC001021895727 624850512 /nfs/dbraw/zinc/85/05/12/624850512.db2.gz PVYJTAUAWJCSIW-TUAOUCFPSA-N 2 2 293.371 0.209 20 0 CCADLP [NH3+]C[C@H]1CCCN1C(=O)NCCCCn1cc[nH+]c1 ZINC000891398226 624855826 /nfs/dbraw/zinc/85/58/26/624855826.db2.gz FQNQPHJWBLINDY-GFCCVEGCSA-N 2 2 265.361 0.796 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCCc2cn(C)c[nH+]2)CC[N@@H+]1C ZINC000891514731 624881344 /nfs/dbraw/zinc/88/13/44/624881344.db2.gz YIEXETQYIRHBEC-RYUDHWBXSA-N 2 2 264.373 0.809 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCCc2cn(C)c[nH+]2)CC[N@H+]1C ZINC000891514731 624881345 /nfs/dbraw/zinc/88/13/45/624881345.db2.gz YIEXETQYIRHBEC-RYUDHWBXSA-N 2 2 264.373 0.809 20 0 CCADLP C[C@@H]1CCC[N@@H+]1CCNC(=O)NCCn1cc[nH+]c1 ZINC000891558238 624885274 /nfs/dbraw/zinc/88/52/74/624885274.db2.gz BVGICZRJBWZPQP-GFCCVEGCSA-N 2 2 265.361 0.667 20 0 CCADLP C[C@@H]1CCC[N@H+]1CCNC(=O)NCCn1cc[nH+]c1 ZINC000891558238 624885275 /nfs/dbraw/zinc/88/52/75/624885275.db2.gz BVGICZRJBWZPQP-GFCCVEGCSA-N 2 2 265.361 0.667 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H](C)O)C2)c[nH+]1 ZINC001022274263 624907483 /nfs/dbraw/zinc/90/74/83/624907483.db2.gz SPCQDXHFBGEVQQ-RWMBFGLXSA-N 2 2 294.399 0.544 20 0 CCADLP C[C@H]1CN(CC[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C[C@H](C)O1 ZINC000933733279 624932933 /nfs/dbraw/zinc/93/29/33/624932933.db2.gz HDTVSKCEGCYNFD-YHUYYLMFSA-N 2 2 281.444 0.979 20 0 CCADLP C[C@H]1CN(CC[N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C[C@H](C)O1 ZINC000933733279 624932934 /nfs/dbraw/zinc/93/29/34/624932934.db2.gz HDTVSKCEGCYNFD-YHUYYLMFSA-N 2 2 281.444 0.979 20 0 CCADLP C[C@H]1CN(CC[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)C[C@H](C)O1 ZINC000933733279 624932935 /nfs/dbraw/zinc/93/29/35/624932935.db2.gz HDTVSKCEGCYNFD-YHUYYLMFSA-N 2 2 281.444 0.979 20 0 CCADLP C[C@H]1CN(CC[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)C[C@H](C)O1 ZINC000933733279 624932936 /nfs/dbraw/zinc/93/29/36/624932936.db2.gz HDTVSKCEGCYNFD-YHUYYLMFSA-N 2 2 281.444 0.979 20 0 CCADLP C[N@H+](CCF)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001027346202 625842837 /nfs/dbraw/zinc/84/28/37/625842837.db2.gz CWKCFQLJHDDUSN-QWHCGFSZSA-N 2 2 287.379 0.209 20 0 CCADLP C[N@@H+](CCF)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001027346202 625842838 /nfs/dbraw/zinc/84/28/38/625842838.db2.gz CWKCFQLJHDDUSN-QWHCGFSZSA-N 2 2 287.379 0.209 20 0 CCADLP C[NH+](CCF)[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001027346202 625842839 /nfs/dbraw/zinc/84/28/39/625842839.db2.gz CWKCFQLJHDDUSN-QWHCGFSZSA-N 2 2 287.379 0.209 20 0 CCADLP C[NH+](CCF)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001027346202 625842840 /nfs/dbraw/zinc/84/28/40/625842840.db2.gz CWKCFQLJHDDUSN-QWHCGFSZSA-N 2 2 287.379 0.209 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000903432677 634560895 /nfs/dbraw/zinc/56/08/95/634560895.db2.gz KDFCRSLHYXMFPF-MROQNXINSA-N 2 2 251.374 0.585 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000903432677 634560900 /nfs/dbraw/zinc/56/09/00/634560900.db2.gz KDFCRSLHYXMFPF-MROQNXINSA-N 2 2 251.374 0.585 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903442452 634567005 /nfs/dbraw/zinc/56/70/05/634567005.db2.gz RAQBONXYPVXDEW-GXTWGEPZSA-N 2 2 280.416 0.023 20 0 CCADLP O=S1(=O)CCC[C@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000903470745 634571977 /nfs/dbraw/zinc/57/19/77/634571977.db2.gz CGIUOVUMMIETLW-NEPJUHHUSA-N 2 2 272.414 0.685 20 0 CCADLP C[C@@H](CN1CCOCC1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903472731 634574730 /nfs/dbraw/zinc/57/47/30/634574730.db2.gz VPWHKTGMDQRMJC-QWHCGFSZSA-N 2 2 253.390 0.581 20 0 CCADLP C[C@@]1(C2CC[NH+](C[C@H]3C[NH2+]CCO3)CC2)COC(=O)N1 ZINC000903563436 634607758 /nfs/dbraw/zinc/60/77/58/634607758.db2.gz CNAAIVXEMUABKK-OCCSQVGLSA-N 2 2 283.372 0.185 20 0 CCADLP [NH3+]C[C@@H]1CC[N@H+](CCS(=O)(=O)Nc2ccccc2)C1 ZINC000903716035 634633977 /nfs/dbraw/zinc/63/39/77/634633977.db2.gz GODOJNLPHYDBKD-LBPRGKRZSA-N 2 2 283.397 0.709 20 0 CCADLP [NH3+]C[C@@H]1CC[N@@H+](CCS(=O)(=O)Nc2ccccc2)C1 ZINC000903716035 634633979 /nfs/dbraw/zinc/63/39/79/634633979.db2.gz GODOJNLPHYDBKD-LBPRGKRZSA-N 2 2 283.397 0.709 20 0 CCADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903751929 634636249 /nfs/dbraw/zinc/63/62/49/634636249.db2.gz JLIKLCSOUVOEJT-XQQFMLRXSA-N 3 2 253.390 0.567 20 0 CCADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903751929 634636257 /nfs/dbraw/zinc/63/62/57/634636257.db2.gz JLIKLCSOUVOEJT-XQQFMLRXSA-N 3 2 253.390 0.567 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCO[C@@H](C)[C@@H]2C)cnn1C ZINC000903891531 634672117 /nfs/dbraw/zinc/67/21/17/634672117.db2.gz BUXXRGZFMBMVON-FPMFFAJLSA-N 2 2 280.416 0.955 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCO[C@@H](C)[C@@H]2C)cnn1C ZINC000903891531 634672123 /nfs/dbraw/zinc/67/21/23/634672123.db2.gz BUXXRGZFMBMVON-FPMFFAJLSA-N 2 2 280.416 0.955 20 0 CCADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cnn1C ZINC000903937903 634694549 /nfs/dbraw/zinc/69/45/49/634694549.db2.gz UXZJITOJZPPRTP-CWRNSKLLSA-N 3 2 291.443 0.387 20 0 CCADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cnn1C ZINC000903937903 634694552 /nfs/dbraw/zinc/69/45/52/634694552.db2.gz UXZJITOJZPPRTP-CWRNSKLLSA-N 3 2 291.443 0.387 20 0 CCADLP C[C@]1(C[NH+]2CCN(c3cccnn3)CC2)CCC[NH2+]C1 ZINC000904316675 634725063 /nfs/dbraw/zinc/72/50/63/634725063.db2.gz PNRMNGFWMFTPKU-HNNXBMFYSA-N 2 2 275.400 0.988 20 0 CCADLP c1cc(N2CC[NH2+]CC2)oc1C[NH2+]CCC[NH2+]C1CC1 ZINC000904358471 634735816 /nfs/dbraw/zinc/73/58/16/634735816.db2.gz MUHSYUAAVIYEMX-UHFFFAOYSA-N 3 2 278.400 0.921 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000905002552 634776199 /nfs/dbraw/zinc/77/61/99/634776199.db2.gz JSDUWMVECMPJDC-JHJVBQTASA-N 2 2 279.388 0.816 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]([N@H+](C)CCF)C1 ZINC001027650342 630833784 /nfs/dbraw/zinc/83/37/84/630833784.db2.gz FEGIBEOGCWYZSN-LBPRGKRZSA-N 2 2 282.363 0.855 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]([N@@H+](C)CCF)C1 ZINC001027650342 630833787 /nfs/dbraw/zinc/83/37/87/630833787.db2.gz FEGIBEOGCWYZSN-LBPRGKRZSA-N 2 2 282.363 0.855 20 0 CCADLP C[C@H](O)C[N@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027701508 630858546 /nfs/dbraw/zinc/85/85/46/630858546.db2.gz AIJXBMQNQWEWJM-QWHCGFSZSA-N 2 2 280.372 0.187 20 0 CCADLP C[C@H](O)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027701508 630858552 /nfs/dbraw/zinc/85/85/52/630858552.db2.gz AIJXBMQNQWEWJM-QWHCGFSZSA-N 2 2 280.372 0.187 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@H]([C@@H](C)[NH2+]C(C)C)C1 ZINC000979426602 630924270 /nfs/dbraw/zinc/92/42/70/630924270.db2.gz GLFZBBRKMFXPPM-OCCSQVGLSA-N 2 2 294.399 0.875 20 0 CCADLP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)[C@H]1CCCC[NH2+]1 ZINC000925816091 631303288 /nfs/dbraw/zinc/30/32/88/631303288.db2.gz DNYROYNIAXTSQY-TZMCWYRMSA-N 3 2 254.422 0.530 20 0 CCADLP Cc1cc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)on1 ZINC001010369457 631351361 /nfs/dbraw/zinc/35/13/61/631351361.db2.gz KUCVVVIHFLPEPC-TZMCWYRMSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1cc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)on1 ZINC001010369457 631351367 /nfs/dbraw/zinc/35/13/67/631351367.db2.gz KUCVVVIHFLPEPC-TZMCWYRMSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)on1 ZINC001010369457 631351373 /nfs/dbraw/zinc/35/13/73/631351373.db2.gz KUCVVVIHFLPEPC-TZMCWYRMSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)on1 ZINC001010369457 631351379 /nfs/dbraw/zinc/35/13/79/631351379.db2.gz KUCVVVIHFLPEPC-TZMCWYRMSA-N 2 2 292.383 0.768 20 0 CCADLP C[C@H](O)C[N@@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000982172031 631381830 /nfs/dbraw/zinc/38/18/30/631381830.db2.gz VKGFAMSKSIPDSI-ZDUSSCGKSA-N 2 2 292.383 0.188 20 0 CCADLP C[C@H](O)C[N@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000982172031 631381837 /nfs/dbraw/zinc/38/18/37/631381837.db2.gz VKGFAMSKSIPDSI-ZDUSSCGKSA-N 2 2 292.383 0.188 20 0 CCADLP C[C@H](C(=O)NCc1nc(C[NH+](C)C)cs1)[NH+](C)C ZINC000927761316 631569518 /nfs/dbraw/zinc/56/95/18/631569518.db2.gz QXKZEQYCDFIPCA-SECBINFHSA-N 2 2 270.402 0.771 20 0 CCADLP Cc1noc2ncc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc12 ZINC000894354601 631727794 /nfs/dbraw/zinc/72/77/94/631727794.db2.gz NJKIMQXHJQFREQ-AWEZNQCLSA-N 2 2 278.356 0.933 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889756879 631904233 /nfs/dbraw/zinc/90/42/33/631904233.db2.gz OXMXLHODISIDHC-ZIAGYGMSSA-N 2 2 292.383 0.318 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889756879 631904243 /nfs/dbraw/zinc/90/42/43/631904243.db2.gz OXMXLHODISIDHC-ZIAGYGMSSA-N 2 2 292.383 0.318 20 0 CCADLP CC(=O)OC[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000895436020 632081497 /nfs/dbraw/zinc/08/14/97/632081497.db2.gz NFXYKAUCSUDHSI-BXUZGUMPSA-N 2 2 270.373 0.781 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCCNc2cc[nH+]cc2)c[nH+]1 ZINC000895798163 632156863 /nfs/dbraw/zinc/15/68/63/632156863.db2.gz CMIPULOSHMOWSN-UHFFFAOYSA-N 2 2 287.367 0.972 20 0 CCADLP C[C@@H]1CO[C@H](C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000896325617 632224584 /nfs/dbraw/zinc/22/45/84/632224584.db2.gz QLTMOLHHTUCAPU-GUTXKFCHSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H]1CO[C@H](C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000896325617 632224588 /nfs/dbraw/zinc/22/45/88/632224588.db2.gz QLTMOLHHTUCAPU-GUTXKFCHSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000925196682 632610871 /nfs/dbraw/zinc/61/08/71/632610871.db2.gz HIARDEMDQATADT-AGIUHOORSA-N 2 2 253.390 0.975 20 0 CCADLP C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000925196682 632610879 /nfs/dbraw/zinc/61/08/79/632610879.db2.gz HIARDEMDQATADT-AGIUHOORSA-N 2 2 253.390 0.975 20 0 CCADLP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000985674396 632616129 /nfs/dbraw/zinc/61/61/29/632616129.db2.gz BMUDECSXXQIUGM-LLVKDONJSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000985674396 632616142 /nfs/dbraw/zinc/61/61/42/632616142.db2.gz BMUDECSXXQIUGM-LLVKDONJSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CCF)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000986216414 632731299 /nfs/dbraw/zinc/73/12/99/632731299.db2.gz VGXOEHOYRILACF-QWRGUYRKSA-N 2 2 268.336 0.891 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CCF)CCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000986466835 632758541 /nfs/dbraw/zinc/75/85/41/632758541.db2.gz MDNABZXQFYOENK-JQWIXIFHSA-N 2 2 298.362 0.898 20 0 CCADLP CCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC000987058815 632818024 /nfs/dbraw/zinc/81/80/24/632818024.db2.gz NFWRERYXZSMDQH-JQWIXIFHSA-N 2 2 250.346 0.941 20 0 CCADLP CCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC000987264010 632850170 /nfs/dbraw/zinc/85/01/70/632850170.db2.gz CIAPWRRCLFMBLH-WDEREUQCSA-N 2 2 250.346 0.941 20 0 CCADLP C[C@@H]1[C@@H]([NH2+]CC2CC2)CCN1C(=O)Cc1c[nH+]cn1C ZINC000987348698 632859673 /nfs/dbraw/zinc/85/96/73/632859673.db2.gz OPHVEZWLILCEMG-RISCZKNCSA-N 2 2 276.384 0.952 20 0 CCADLP C[C@@H]1[C@H]([NH2+]CCF)CCN1C(=O)Cc1c[nH+]cn1C ZINC000987349059 632860183 /nfs/dbraw/zinc/86/01/83/632860183.db2.gz SGGYVYMSKVEBFS-ZYHUDNBSSA-N 2 2 268.336 0.511 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCF)CN1C(=O)CCn1cc[nH+]c1 ZINC000989268499 633181077 /nfs/dbraw/zinc/18/10/77/633181077.db2.gz ZLALARHWCZBIIC-NWDGAFQWSA-N 2 2 268.336 0.822 20 0 CCADLP CC(C)[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000989616618 633335611 /nfs/dbraw/zinc/33/56/11/633335611.db2.gz YDPNLJPHZGZIMB-WDEREUQCSA-N 2 2 250.346 0.940 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000899244617 633767940 /nfs/dbraw/zinc/76/79/40/633767940.db2.gz FGAOKEUHELFJPN-TUAOUCFPSA-N 2 2 265.361 0.698 20 0 CCADLP c1c([C@H]2CCCC[NH2+]2)nnn1CC[NH+]1CCOCC1 ZINC000899745610 633889352 /nfs/dbraw/zinc/88/93/52/633889352.db2.gz RTHNRPVPRUKBHD-GFCCVEGCSA-N 2 2 265.361 0.425 20 0 CCADLP C[C@@H]1C[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC[N@@H+]1C ZINC000900824673 634102737 /nfs/dbraw/zinc/10/27/37/634102737.db2.gz NPHGFDCEIJYDBN-ZYHUDNBSSA-N 2 2 250.346 0.893 20 0 CCADLP C[C@@H]1C[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC[N@H+]1C ZINC000900824673 634102739 /nfs/dbraw/zinc/10/27/39/634102739.db2.gz NPHGFDCEIJYDBN-ZYHUDNBSSA-N 2 2 250.346 0.893 20 0 CCADLP CO[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001009208949 650140207 /nfs/dbraw/zinc/14/02/07/650140207.db2.gz RWFXSWAEBAWUIG-OLZOCXBDSA-N 2 2 294.399 0.578 20 0 CCADLP CO[C@H](C)C[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001009208949 650140208 /nfs/dbraw/zinc/14/02/08/650140208.db2.gz RWFXSWAEBAWUIG-OLZOCXBDSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[N@H+]1CCO ZINC000907544381 635148312 /nfs/dbraw/zinc/14/83/12/635148312.db2.gz PZJNHDZWZYPPSJ-CQSZACIVSA-N 2 2 297.443 0.776 20 0 CCADLP O=C(CNc1cccc[nH+]1)NCC[N@@H+]1CCCOCC1 ZINC000907614124 635170456 /nfs/dbraw/zinc/17/04/56/635170456.db2.gz TUMVICYBVJHYBD-UHFFFAOYSA-N 2 2 278.356 0.332 20 0 CCADLP O=C(CNc1cccc[nH+]1)NCC[N@H+]1CCCOCC1 ZINC000907614124 635170461 /nfs/dbraw/zinc/17/04/61/635170461.db2.gz TUMVICYBVJHYBD-UHFFFAOYSA-N 2 2 278.356 0.332 20 0 CCADLP O=C(CNc1cccc[nH+]1)N[C@@H](CO)C[NH+]1CCCC1 ZINC000908200821 635313707 /nfs/dbraw/zinc/31/37/07/635313707.db2.gz AFNDKMXAGFXQHF-GFCCVEGCSA-N 2 2 278.356 0.066 20 0 CCADLP [NH3+][C@@H](CC(=O)N(C1CC1)C1CC[NH2+]CC1)C(F)F ZINC000911677162 636337454 /nfs/dbraw/zinc/33/74/54/636337454.db2.gz MZIIZSZBUHXGKB-JTQLQIEISA-N 2 2 261.316 0.712 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000911713403 636347110 /nfs/dbraw/zinc/34/71/10/636347110.db2.gz GYAGAHRPVZYCPE-QJPTWQEYSA-N 2 2 262.357 0.782 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C[NH3+])CCCC1 ZINC000911801056 636393888 /nfs/dbraw/zinc/39/38/88/636393888.db2.gz XJYITFZYZMNDLB-JTQLQIEISA-N 2 2 250.346 0.976 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C[NH3+])CCCC1 ZINC000911801056 636393894 /nfs/dbraw/zinc/39/38/94/636393894.db2.gz XJYITFZYZMNDLB-JTQLQIEISA-N 2 2 250.346 0.976 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@]1(C)C[NH+]2CCC1CC2 ZINC000912379943 636559332 /nfs/dbraw/zinc/55/93/32/636559332.db2.gz XUOVJZOWTQQDIB-CQSZACIVSA-N 2 2 262.357 0.563 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@]1(C)C[NH+]2CCC1CC2 ZINC000912378957 636559719 /nfs/dbraw/zinc/55/97/19/636559719.db2.gz UNTNZZYSFNTCGC-CQSZACIVSA-N 2 2 262.357 0.861 20 0 CCADLP C[C@H](CC(=O)N(C)CC[N@H+](C)CCO)n1cc[nH+]c1 ZINC000912599600 636612963 /nfs/dbraw/zinc/61/29/63/636612963.db2.gz PIXKVFHJOYLALE-GFCCVEGCSA-N 2 2 268.361 0.217 20 0 CCADLP C[C@H](CC(=O)N(C)CC[N@@H+](C)CCO)n1cc[nH+]c1 ZINC000912599600 636612966 /nfs/dbraw/zinc/61/29/66/636612966.db2.gz PIXKVFHJOYLALE-GFCCVEGCSA-N 2 2 268.361 0.217 20 0 CCADLP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H](O)C2CC2)C[C@H](C)O1 ZINC000840743973 637108214 /nfs/dbraw/zinc/10/82/14/637108214.db2.gz PKPAJZOQNOEYLW-SCRDCRAPSA-N 2 2 256.390 0.846 20 0 CCADLP C[C@@H]1C[N@H+](CCC[NH2+]C[C@H](O)C2CC2)C[C@H](C)O1 ZINC000840743973 637108218 /nfs/dbraw/zinc/10/82/18/637108218.db2.gz PKPAJZOQNOEYLW-SCRDCRAPSA-N 2 2 256.390 0.846 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)NC[C@@H]2CC[NH+]2C)C[C@H](C)O1 ZINC000925416203 637690419 /nfs/dbraw/zinc/69/04/19/637690419.db2.gz HYJBDVUKWQMPRO-MJBXVCDLSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)NC[C@@H]2CC[NH+]2C)C[C@H](C)O1 ZINC000925416203 637690424 /nfs/dbraw/zinc/69/04/24/637690424.db2.gz HYJBDVUKWQMPRO-MJBXVCDLSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@@H]1C[NH+](CCN(C)C(=O)NC[C@@H]2CC[N@@H+]2C)C[C@H](C)O1 ZINC000925416203 637690427 /nfs/dbraw/zinc/69/04/27/637690427.db2.gz HYJBDVUKWQMPRO-MJBXVCDLSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@@H]1C[NH+](CCN(C)C(=O)NC[C@@H]2CC[N@H+]2C)C[C@H](C)O1 ZINC000925416203 637690431 /nfs/dbraw/zinc/69/04/31/637690431.db2.gz HYJBDVUKWQMPRO-MJBXVCDLSA-N 2 2 298.431 0.441 20 0 CCADLP CCC[N@H+](C[C@@H](O)COCCOC)[C@@H]1CC[NH2+]C1 ZINC000233060574 638193245 /nfs/dbraw/zinc/19/32/45/638193245.db2.gz ZCNMWQNLBCKUCO-CHWSQXEVSA-N 2 2 260.378 0.084 20 0 CCADLP CCC[N@@H+](C[C@@H](O)COCCOC)[C@@H]1CC[NH2+]C1 ZINC000233060574 638193251 /nfs/dbraw/zinc/19/32/51/638193251.db2.gz ZCNMWQNLBCKUCO-CHWSQXEVSA-N 2 2 260.378 0.084 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000925335978 638206921 /nfs/dbraw/zinc/20/69/21/638206921.db2.gz APWHARSSZOJWLB-MGPQQGTHSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000925335978 638206926 /nfs/dbraw/zinc/20/69/26/638206926.db2.gz APWHARSSZOJWLB-MGPQQGTHSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941248717 638520831 /nfs/dbraw/zinc/52/08/31/638520831.db2.gz YXIPDRONRPJUFI-STQMWFEESA-N 2 2 294.399 0.481 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941248717 638520837 /nfs/dbraw/zinc/52/08/37/638520837.db2.gz YXIPDRONRPJUFI-STQMWFEESA-N 2 2 294.399 0.481 20 0 CCADLP O=C(c1cccc2[nH+]ccn21)N1CCC([NH2+]CCO)CC1 ZINC000996797780 638833294 /nfs/dbraw/zinc/83/32/94/638833294.db2.gz BDXICZZYQRDHJP-UHFFFAOYSA-N 2 2 288.351 0.521 20 0 CCADLP CC[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC000997346593 638863189 /nfs/dbraw/zinc/86/31/89/638863189.db2.gz VBEJPHAXNPRTQI-OAHLLOKOSA-N 2 2 295.427 0.698 20 0 CCADLP Cn1nc2c(c1C[NH2+]CCC[NH+]1CCC(O)CC1)CCC2 ZINC000921586391 638865772 /nfs/dbraw/zinc/86/57/72/638865772.db2.gz LGFVFNNEOQYVGY-UHFFFAOYSA-N 2 2 292.427 0.845 20 0 CCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC[C@@H]([NH2+]CCF)C1 ZINC000999537678 638984689 /nfs/dbraw/zinc/98/46/89/638984689.db2.gz TXZFZUCEJLBSEO-QWHCGFSZSA-N 2 2 294.374 0.996 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000999776472 638996299 /nfs/dbraw/zinc/99/62/99/638996299.db2.gz PLGKPOGPTCZIIE-CHWSQXEVSA-N 2 2 294.399 0.314 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]([NH2+]CC2CC2)C1 ZINC001000564882 639116810 /nfs/dbraw/zinc/11/68/10/639116810.db2.gz PLIULOHQOAZEQA-LBPRGKRZSA-N 2 2 262.357 0.943 20 0 CCADLP CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001000979848 639203358 /nfs/dbraw/zinc/20/33/58/639203358.db2.gz VISSESQXOSRVOQ-HUUCEWRRSA-N 2 2 295.427 0.698 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001015026792 650515945 /nfs/dbraw/zinc/51/59/45/650515945.db2.gz HDODNZZTVVGJBA-LLVKDONJSA-N 2 2 280.372 0.949 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001015026792 650515946 /nfs/dbraw/zinc/51/59/46/650515946.db2.gz HDODNZZTVVGJBA-LLVKDONJSA-N 2 2 280.372 0.949 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](CCF)CC2)C1 ZINC001004187141 639714655 /nfs/dbraw/zinc/71/46/55/639714655.db2.gz ZGGCOQHXPDPANW-ZDUSSCGKSA-N 2 2 287.379 0.257 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](CCF)CC2)C1 ZINC001004187141 639714666 /nfs/dbraw/zinc/71/46/66/639714666.db2.gz ZGGCOQHXPDPANW-ZDUSSCGKSA-N 2 2 287.379 0.257 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923280337 640067164 /nfs/dbraw/zinc/06/71/64/640067164.db2.gz XGVLTKFVCIWHTG-RWMBFGLXSA-N 3 2 253.390 0.567 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923280337 640067167 /nfs/dbraw/zinc/06/71/67/640067167.db2.gz XGVLTKFVCIWHTG-RWMBFGLXSA-N 3 2 253.390 0.567 20 0 CCADLP O=C([C@@H]1CCCC[N@@H+]1CCC[NH2+]C1CC1)N1CCOCC1 ZINC000923311462 640081832 /nfs/dbraw/zinc/08/18/32/640081832.db2.gz MUUIQUUPRPRFNI-HNNXBMFYSA-N 2 2 295.427 0.842 20 0 CCADLP O=C([C@@H]1CCCC[N@H+]1CCC[NH2+]C1CC1)N1CCOCC1 ZINC000923311462 640081842 /nfs/dbraw/zinc/08/18/42/640081842.db2.gz MUUIQUUPRPRFNI-HNNXBMFYSA-N 2 2 295.427 0.842 20 0 CCADLP c1cn(C2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)c[nH+]1 ZINC000923322140 640084667 /nfs/dbraw/zinc/08/46/67/640084667.db2.gz LXWZWHUPWAKEQB-AWEZNQCLSA-N 3 2 276.384 0.899 20 0 CCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000923323927 640085863 /nfs/dbraw/zinc/08/58/63/640085863.db2.gz BBPXQPPVWKBJOG-XGUBFFRZSA-N 3 2 267.417 0.787 20 0 CCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000923323927 640085866 /nfs/dbraw/zinc/08/58/66/640085866.db2.gz BBPXQPPVWKBJOG-XGUBFFRZSA-N 3 2 267.417 0.787 20 0 CCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000923323854 640086341 /nfs/dbraw/zinc/08/63/41/640086341.db2.gz ARIPSFGFQGKZJB-AJNGGQMLSA-N 3 2 267.417 0.645 20 0 CCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000923323854 640086343 /nfs/dbraw/zinc/08/63/43/640086343.db2.gz ARIPSFGFQGKZJB-AJNGGQMLSA-N 3 2 267.417 0.645 20 0 CCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000923323856 640086650 /nfs/dbraw/zinc/08/66/50/640086650.db2.gz ARIPSFGFQGKZJB-QPSCCSFWSA-N 3 2 267.417 0.645 20 0 CCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000923323856 640086660 /nfs/dbraw/zinc/08/66/60/640086660.db2.gz ARIPSFGFQGKZJB-QPSCCSFWSA-N 3 2 267.417 0.645 20 0 CCADLP C[C@H]1OCC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1C(N)=O ZINC000923378126 640111379 /nfs/dbraw/zinc/11/13/79/640111379.db2.gz ZZYHTKITQDCRFT-JWURUJNWSA-N 2 2 281.400 0.482 20 0 CCADLP C[C@H]1OCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1C(N)=O ZINC000923378126 640111386 /nfs/dbraw/zinc/11/13/86/640111386.db2.gz ZZYHTKITQDCRFT-JWURUJNWSA-N 2 2 281.400 0.482 20 0 CCADLP Clc1cc2c(nn1)C[N@H+](C[C@H]1CC3(C[NH2+]C3)CO1)CC2 ZINC000923385122 640114020 /nfs/dbraw/zinc/11/40/20/640114020.db2.gz VREDNCLVXQMRAG-LLVKDONJSA-N 2 2 294.786 0.867 20 0 CCADLP Clc1cc2c(nn1)C[N@@H+](C[C@H]1CC3(C[NH2+]C3)CO1)CC2 ZINC000923385122 640114029 /nfs/dbraw/zinc/11/40/29/640114029.db2.gz VREDNCLVXQMRAG-LLVKDONJSA-N 2 2 294.786 0.867 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCN2C(=O)CN(C)C2=O)[C@H]1C ZINC000923425284 640132134 /nfs/dbraw/zinc/13/21/34/640132134.db2.gz XSYCJODFFJGUHK-WOPDTQHZSA-N 2 2 282.388 0.328 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCN2C(=O)CN(C)C2=O)[C@H]1C ZINC000923425284 640132137 /nfs/dbraw/zinc/13/21/37/640132137.db2.gz XSYCJODFFJGUHK-WOPDTQHZSA-N 2 2 282.388 0.328 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)[C@@H]1C ZINC000923420957 640134680 /nfs/dbraw/zinc/13/46/80/640134680.db2.gz AAWJSIGEHYRLJI-AAVRWANBSA-N 3 2 267.417 0.813 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)[C@@H]1C ZINC000923420957 640134690 /nfs/dbraw/zinc/13/46/90/640134690.db2.gz AAWJSIGEHYRLJI-AAVRWANBSA-N 3 2 267.417 0.813 20 0 CCADLP O=C1CC[C@H]([N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C(=O)N1 ZINC000799123929 640544832 /nfs/dbraw/zinc/54/48/32/640544832.db2.gz CRBXOYNIEPAHFR-STQMWFEESA-N 2 2 279.384 0.742 20 0 CCADLP O=C1CC[C@H]([N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C(=O)N1 ZINC000799123929 640544835 /nfs/dbraw/zinc/54/48/35/640544835.db2.gz CRBXOYNIEPAHFR-STQMWFEESA-N 2 2 279.384 0.742 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@H+](CCCO)C1 ZINC001015721461 650616728 /nfs/dbraw/zinc/61/67/28/650616728.db2.gz JSEPCGJBVZPRAY-JHJVBQTASA-N 2 2 292.383 0.097 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCCO)C1 ZINC001015721461 650616729 /nfs/dbraw/zinc/61/67/29/650616729.db2.gz JSEPCGJBVZPRAY-JHJVBQTASA-N 2 2 292.383 0.097 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC(n2cccn2)CC1)C1CC1 ZINC000809943910 640915163 /nfs/dbraw/zinc/91/51/63/640915163.db2.gz GGTGFWZPROBNHT-HNNXBMFYSA-N 2 2 278.400 0.975 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(n2cccn2)CC1)C1CC1 ZINC000809943910 640915167 /nfs/dbraw/zinc/91/51/67/640915167.db2.gz GGTGFWZPROBNHT-HNNXBMFYSA-N 2 2 278.400 0.975 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC2(CNC(=O)O2)CC1)C1CC1 ZINC000809984937 640918319 /nfs/dbraw/zinc/91/83/19/640918319.db2.gz CCQPVMPSUMZXPT-LBPRGKRZSA-N 2 2 283.372 0.016 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC2(CNC(=O)O2)CC1)C1CC1 ZINC000809984937 640918325 /nfs/dbraw/zinc/91/83/25/640918325.db2.gz CCQPVMPSUMZXPT-LBPRGKRZSA-N 2 2 283.372 0.016 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC1CC[NH+](CC2CC2)CC1 ZINC000816891140 641223870 /nfs/dbraw/zinc/22/38/70/641223870.db2.gz JVMWQISWFMZLMQ-UHFFFAOYSA-N 2 2 262.357 0.943 20 0 CCADLP CC(C)C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001016000920 650671946 /nfs/dbraw/zinc/67/19/46/650671946.db2.gz GLPVMXSNYGRFOU-GFCCVEGCSA-N 2 2 264.373 0.809 20 0 CCADLP CC(C)C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001016000920 650671949 /nfs/dbraw/zinc/67/19/49/650671949.db2.gz GLPVMXSNYGRFOU-GFCCVEGCSA-N 2 2 264.373 0.809 20 0 CCADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cccc(-c2nn[nH]n2)c1 ZINC000824570159 641832572 /nfs/dbraw/zinc/83/25/72/641832572.db2.gz LNTLGBQSLYLWMT-ZWNOBZJWSA-N 2 2 290.371 0.440 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000830277795 642251167 /nfs/dbraw/zinc/25/11/67/642251167.db2.gz MNCMWYAVNYFODK-ZDUSSCGKSA-N 2 2 292.383 0.666 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C)CCO1 ZINC000842474880 642899258 /nfs/dbraw/zinc/89/92/58/642899258.db2.gz DIUPIRPTTBEFFE-GHMZBOCLSA-N 2 2 257.378 0.197 20 0 CCADLP O[C@H](C[NH2+]C[C@H](O)c1ccc(F)cn1)C[NH+]1CCCCC1 ZINC000843061444 642982874 /nfs/dbraw/zinc/98/28/74/642982874.db2.gz GSTNSHOHMCUNAA-HIFRSBDPSA-N 2 2 297.374 0.691 20 0 CCADLP O=C(CO[C@@H]1CCC[NH2+]C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000844179746 643173264 /nfs/dbraw/zinc/17/32/64/643173264.db2.gz YVFYFNFHQVHKNM-CYBMUJFWSA-N 2 2 292.383 0.884 20 0 CCADLP CCCN(CC[NH+](C)C)C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000844203657 643182088 /nfs/dbraw/zinc/18/20/88/643182088.db2.gz WIKJBNBHVWERIU-UHFFFAOYSA-N 2 2 279.388 0.469 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NCc2ccccn2)C1 ZINC000844219180 643184208 /nfs/dbraw/zinc/18/42/08/643184208.db2.gz HAVORKDOJDBSLU-QWHCGFSZSA-N 2 2 276.384 0.757 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NCc2ccccn2)C1 ZINC000844219180 643184211 /nfs/dbraw/zinc/18/42/11/643184211.db2.gz HAVORKDOJDBSLU-QWHCGFSZSA-N 2 2 276.384 0.757 20 0 CCADLP CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001017845436 650826036 /nfs/dbraw/zinc/82/60/36/650826036.db2.gz CSXAHYVYFCFZNF-ZNMIVQPWSA-N 2 2 295.427 0.791 20 0 CCADLP CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001017845436 650826037 /nfs/dbraw/zinc/82/60/37/650826037.db2.gz CSXAHYVYFCFZNF-ZNMIVQPWSA-N 2 2 295.427 0.791 20 0 CCADLP CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001017845436 650826040 /nfs/dbraw/zinc/82/60/40/650826040.db2.gz CSXAHYVYFCFZNF-ZNMIVQPWSA-N 2 2 295.427 0.791 20 0 CCADLP CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001017845436 650826042 /nfs/dbraw/zinc/82/60/42/650826042.db2.gz CSXAHYVYFCFZNF-ZNMIVQPWSA-N 2 2 295.427 0.791 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NCCC1(C[NH3+])CC1 ZINC000846167291 643384804 /nfs/dbraw/zinc/38/48/04/643384804.db2.gz WMPJZSALOFBIGM-UHFFFAOYSA-N 2 2 251.334 0.348 20 0 CCADLP CO[C@@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001018001906 650839832 /nfs/dbraw/zinc/83/98/32/650839832.db2.gz WLXLUJSYEVUEQL-FPMFFAJLSA-N 2 2 292.383 0.662 20 0 CCADLP CO[C@@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001018001906 650839835 /nfs/dbraw/zinc/83/98/35/650839835.db2.gz WLXLUJSYEVUEQL-FPMFFAJLSA-N 2 2 292.383 0.662 20 0 CCADLP OC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC000848533416 643650041 /nfs/dbraw/zinc/65/00/41/643650041.db2.gz HSZBOGPMMFMCKT-KBPBESRZSA-N 2 2 254.374 0.600 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=S)NCC[NH+](C)C ZINC000849280487 643726798 /nfs/dbraw/zinc/72/67/98/643726798.db2.gz DMEJCSXRRXWTNP-NEPJUHHUSA-N 2 2 288.461 0.121 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=S)NCC[NH+](C)C ZINC000849280487 643726802 /nfs/dbraw/zinc/72/68/02/643726802.db2.gz DMEJCSXRRXWTNP-NEPJUHHUSA-N 2 2 288.461 0.121 20 0 CCADLP Cc1ccc(NC(=O)C(=O)N(C)CCC[NH3+])c(N(C)C)[nH+]1 ZINC000850828943 643816630 /nfs/dbraw/zinc/81/66/30/643816630.db2.gz YRKNIWNUJHIEAU-UHFFFAOYSA-N 2 2 293.371 0.202 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000851805431 643886996 /nfs/dbraw/zinc/88/69/96/643886996.db2.gz SGXOBKYIIOBYTK-ZDUSSCGKSA-N 2 2 281.404 0.685 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000851805431 643886998 /nfs/dbraw/zinc/88/69/98/643886998.db2.gz SGXOBKYIIOBYTK-ZDUSSCGKSA-N 2 2 281.404 0.685 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CCOC(F)F)CC1 ZINC000851860009 643891577 /nfs/dbraw/zinc/89/15/77/643891577.db2.gz DYLQHFPENJSTIU-UHFFFAOYSA-N 2 2 260.288 0.781 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852437384 643965615 /nfs/dbraw/zinc/96/56/15/643965615.db2.gz BAPGTHZOMZGFPK-LBPRGKRZSA-N 2 2 264.329 0.489 20 0 CCADLP Cc1cn2cc(NC(=O)C3=NO[C@H](C[NH3+])C3)ccc2[nH+]1 ZINC000852864907 644030736 /nfs/dbraw/zinc/03/07/36/644030736.db2.gz LWQFQBCVKXSGMB-JTQLQIEISA-N 2 2 273.296 0.685 20 0 CCADLP [NH3+]C[C@H]1CC(C(=O)NCc2ccn3cc[nH+]c3c2)=NO1 ZINC000852870953 644034602 /nfs/dbraw/zinc/03/46/02/644034602.db2.gz IXTDRVUJVIKTTP-SNVBAGLBSA-N 2 2 273.296 0.054 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]([NH2+]CC2CC2)C1 ZINC001018783200 650906644 /nfs/dbraw/zinc/90/66/44/650906644.db2.gz KRDNIRVNEFWQDW-LBPRGKRZSA-N 2 2 262.357 0.943 20 0 CCADLP CO[C@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C12CCC2 ZINC000858468621 644623836 /nfs/dbraw/zinc/62/38/36/644623836.db2.gz KDCQHWDFMWHMJH-IHRRRGAJSA-N 2 2 295.427 0.873 20 0 CCADLP CO[C@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C12CCC2 ZINC000858468621 644623838 /nfs/dbraw/zinc/62/38/38/644623838.db2.gz KDCQHWDFMWHMJH-IHRRRGAJSA-N 2 2 295.427 0.873 20 0 CCADLP Cc1c[nH+]cn1CC(=O)OC[C@H]1C[N@H+](C(C)C)CCO1 ZINC000860651843 644818727 /nfs/dbraw/zinc/81/87/27/644818727.db2.gz CRTOYZAAEVUVDZ-CYBMUJFWSA-N 2 2 281.356 0.844 20 0 CCADLP Cc1c[nH+]cn1CC(=O)OC[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000860651843 644818732 /nfs/dbraw/zinc/81/87/32/644818732.db2.gz CRTOYZAAEVUVDZ-CYBMUJFWSA-N 2 2 281.356 0.844 20 0 CCADLP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](Cc2cc[nH]n2)CC1 ZINC000863641785 645114339 /nfs/dbraw/zinc/11/43/39/645114339.db2.gz CBZIADHFHDIUDZ-QWHCGFSZSA-N 2 2 291.355 0.167 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001019566258 650988602 /nfs/dbraw/zinc/98/86/02/650988602.db2.gz YLJYLUBWDUOPES-RYUDHWBXSA-N 2 2 278.356 0.179 20 0 CCADLP C[C@H]([NH3+])c1cn(CC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000864645994 645258725 /nfs/dbraw/zinc/25/87/25/645258725.db2.gz QEKKNWPSLFJQCI-NSHDSACASA-N 3 2 254.382 0.181 20 0 CCADLP C[C@@H]1C[C@H](N(C)C(=O)[C@H](O)c2c[nH+]c[nH]2)CC[N@@H+]1C ZINC000866050024 645469232 /nfs/dbraw/zinc/46/92/32/645469232.db2.gz QQJZAHDFIDHTJR-CKYFFXLPSA-N 2 2 266.345 0.384 20 0 CCADLP C[C@@H]1C[C@H](N(C)C(=O)[C@H](O)c2c[nH+]c[nH]2)CC[N@H+]1C ZINC000866050024 645469237 /nfs/dbraw/zinc/46/92/37/645469237.db2.gz QQJZAHDFIDHTJR-CKYFFXLPSA-N 2 2 266.345 0.384 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001020257176 651053736 /nfs/dbraw/zinc/05/37/36/651053736.db2.gz WRTIZNIYUZZUPJ-KKJSVHSVSA-N 2 2 278.356 0.131 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001020257176 651053740 /nfs/dbraw/zinc/05/37/40/651053740.db2.gz WRTIZNIYUZZUPJ-KKJSVHSVSA-N 2 2 278.356 0.131 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000870853671 646027428 /nfs/dbraw/zinc/02/74/28/646027428.db2.gz BMCBIRRPYHESBC-WOSRLPQWSA-N 2 2 286.379 0.858 20 0 CCADLP C[C@H](O)[C@H]1CCN(c2cc(N[C@@H](C)C[NH3+])nc[nH+]2)C1 ZINC000872774426 646321851 /nfs/dbraw/zinc/32/18/51/646321851.db2.gz JUNUGJLTMIEMTC-DCAQKATOSA-N 2 2 265.361 0.443 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)CCCO1 ZINC000873212893 646359686 /nfs/dbraw/zinc/35/96/86/646359686.db2.gz BYNYNKVPDORZJV-GFCCVEGCSA-N 3 2 281.425 0.943 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)CCCO1 ZINC000873212893 646359691 /nfs/dbraw/zinc/35/96/91/646359691.db2.gz BYNYNKVPDORZJV-GFCCVEGCSA-N 3 2 281.425 0.943 20 0 CCADLP Cc1cc(CNS(=O)(=O)C2C[NH2+]C2)cc(C)[nH+]1 ZINC000923648771 646610206 /nfs/dbraw/zinc/61/02/06/646610206.db2.gz JEELTEQUQQNASJ-UHFFFAOYSA-N 2 2 255.343 0.090 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)/C=C\C[NH+]2CCOCC2)CC[NH2+]1 ZINC000876835659 646678036 /nfs/dbraw/zinc/67/80/36/646678036.db2.gz ZHCNIPAZHFXPES-LLGAQUFESA-N 2 2 267.373 0.132 20 0 CCADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@H]1CC12CC[NH2+]CC2 ZINC000876856772 646683082 /nfs/dbraw/zinc/68/30/82/646683082.db2.gz TZESNVSZICSACM-FYDYADQUSA-N 2 2 279.384 0.133 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000876930437 646699397 /nfs/dbraw/zinc/69/93/97/646699397.db2.gz WWQQPIMITTZHSS-NSHDSACASA-N 2 2 294.380 0.709 20 0 CCADLP O=C(/C=C/C[NH+]1CCOCC1)NCCC[NH2+]C1CC1 ZINC000876938932 646701828 /nfs/dbraw/zinc/70/18/28/646701828.db2.gz QNMCDHPXLAVFDD-HNQUOIGGSA-N 2 2 267.373 0.133 20 0 CCADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000876939808 646702516 /nfs/dbraw/zinc/70/25/16/646702516.db2.gz MCKWVKONNRDDNG-RDFMZFSFSA-N 2 2 293.411 0.666 20 0 CCADLP O=C(/C=C\[C@@H]1CCC[NH2+]C1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000876973386 646711317 /nfs/dbraw/zinc/71/13/17/646711317.db2.gz ZHKNHQFSNXBMLU-VQGNRHNMSA-N 2 2 292.427 0.048 20 0 CCADLP O=C(/C=C\[C@@H]1CCC[NH2+]C1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000876973386 646711320 /nfs/dbraw/zinc/71/13/20/646711320.db2.gz ZHKNHQFSNXBMLU-VQGNRHNMSA-N 2 2 292.427 0.048 20 0 CCADLP Cc1ncc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cn1 ZINC000877747703 646838343 /nfs/dbraw/zinc/83/83/43/646838343.db2.gz YPXSVJMTIZGRLU-UHFFFAOYSA-N 2 2 289.427 0.997 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000127050672 646899027 /nfs/dbraw/zinc/89/90/27/646899027.db2.gz OJONSUODFWCHGX-GXTWGEPZSA-N 2 2 294.399 0.807 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000127050672 646899030 /nfs/dbraw/zinc/89/90/30/646899030.db2.gz OJONSUODFWCHGX-GXTWGEPZSA-N 2 2 294.399 0.807 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C)CC2)[C@H](C)[C@@H](C)O1 ZINC000878481129 646916699 /nfs/dbraw/zinc/91/66/99/646916699.db2.gz ADDGPCLGAKFHQQ-JHJVBQTASA-N 2 2 283.416 0.695 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C)CC2)[C@H](C)[C@@H](C)O1 ZINC000878481129 646916702 /nfs/dbraw/zinc/91/67/02/646916702.db2.gz ADDGPCLGAKFHQQ-JHJVBQTASA-N 2 2 283.416 0.695 20 0 CCADLP NC(=O)[C@H](C1CC1)[N@H+](CCn1cc[nH+]c1)CC1CC1 ZINC000879489018 647064861 /nfs/dbraw/zinc/06/48/61/647064861.db2.gz VDJPTLTTZZOGBX-ZDUSSCGKSA-N 2 2 262.357 0.859 20 0 CCADLP NC(=O)[C@H](C1CC1)[N@@H+](CCn1cc[nH+]c1)CC1CC1 ZINC000879489018 647064868 /nfs/dbraw/zinc/06/48/68/647064868.db2.gz VDJPTLTTZZOGBX-ZDUSSCGKSA-N 2 2 262.357 0.859 20 0 CCADLP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CN(C4CC4)C(=O)O3)CC[C@H]21 ZINC000879580805 647076501 /nfs/dbraw/zinc/07/65/01/647076501.db2.gz UVBAMZFTOPIOAI-MRVWCRGKSA-N 2 2 279.384 0.996 20 0 CCADLP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CN(C4CC4)C(=O)O3)CC[C@H]21 ZINC000879580805 647076506 /nfs/dbraw/zinc/07/65/06/647076506.db2.gz UVBAMZFTOPIOAI-MRVWCRGKSA-N 2 2 279.384 0.996 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CN(C4CC4)C(=O)O3)CC[C@H]21 ZINC000879580805 647076511 /nfs/dbraw/zinc/07/65/11/647076511.db2.gz UVBAMZFTOPIOAI-MRVWCRGKSA-N 2 2 279.384 0.996 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CN(C4CC4)C(=O)O3)CC[C@H]21 ZINC000879580805 647076516 /nfs/dbraw/zinc/07/65/16/647076516.db2.gz UVBAMZFTOPIOAI-MRVWCRGKSA-N 2 2 279.384 0.996 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC000879935978 647129828 /nfs/dbraw/zinc/12/98/28/647129828.db2.gz DGQGRJGIBCSKOC-CHWSQXEVSA-N 2 2 297.424 0.719 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC000879935978 647129832 /nfs/dbraw/zinc/12/98/32/647129832.db2.gz DGQGRJGIBCSKOC-CHWSQXEVSA-N 2 2 297.424 0.719 20 0 CCADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](CCCO)CC1 ZINC000880251324 647175331 /nfs/dbraw/zinc/17/53/31/647175331.db2.gz KRUSTZVYOJICIQ-UHFFFAOYSA-N 2 2 269.389 0.175 20 0 CCADLP Cc1nc(N2CCC(C)([NH+]3CCC3)CC2)nc(N)[nH+]1 ZINC000882962370 647469743 /nfs/dbraw/zinc/46/97/43/647469743.db2.gz QUOXOHZMTISHLG-UHFFFAOYSA-N 2 2 262.361 0.827 20 0 CCADLP [NH3+]CC[N@H+](CC[C@@H]1CCCC1(F)F)C[C@@H](O)CO ZINC000883434805 647526719 /nfs/dbraw/zinc/52/67/19/647526719.db2.gz BFOSSYAZANTOSM-WDEREUQCSA-N 2 2 266.332 0.426 20 0 CCADLP [NH3+]CC[N@@H+](CC[C@@H]1CCCC1(F)F)C[C@@H](O)CO ZINC000883434805 647526722 /nfs/dbraw/zinc/52/67/22/647526722.db2.gz BFOSSYAZANTOSM-WDEREUQCSA-N 2 2 266.332 0.426 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H]1C[NH2+]CC1(C)C)[NH+]1CCOCC1 ZINC000884212590 647669496 /nfs/dbraw/zinc/66/94/96/647669496.db2.gz JCFOOPDXDTXLDX-XQQFMLRXSA-N 2 2 283.416 0.457 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N2CC[C@H]([NH3+])[C@@H]2C)c[nH+]1 ZINC000884288910 647696365 /nfs/dbraw/zinc/69/63/65/647696365.db2.gz PSGYIUCUSQKBBH-QWRGUYRKSA-N 2 2 250.346 0.875 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@H]2C[NH2+]CCCO2)c[nH+]1 ZINC000884302541 647703590 /nfs/dbraw/zinc/70/35/90/647703590.db2.gz SXYAOBVKSICEHI-GFCCVEGCSA-N 2 2 280.372 0.421 20 0 CCADLP [NH3+][C@@H](CC(=O)NCCCCn1cc[nH+]c1)C1CC1 ZINC000137384680 647919568 /nfs/dbraw/zinc/91/95/68/647919568.db2.gz MKOPHHIOPQEAEB-LBPRGKRZSA-N 2 2 250.346 0.907 20 0 CCADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925549534 648442144 /nfs/dbraw/zinc/44/21/44/648442144.db2.gz MTGGBAAQHLPLTA-KBPBESRZSA-N 3 2 266.433 0.497 20 0 CCADLP Cc1cc(CC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)nn1C ZINC000925834391 648465121 /nfs/dbraw/zinc/46/51/21/648465121.db2.gz NJOSOZHGBWRGOQ-CABCVRRESA-N 2 2 278.400 0.628 20 0 CCADLP [NH3+][C@H]1CCC[C@H]1[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925842284 648465824 /nfs/dbraw/zinc/46/58/24/648465824.db2.gz LDOBCPMUQRIQMG-UONOGXRCSA-N 3 2 254.422 0.531 20 0 CCADLP CS(=O)(=O)C[C@H](O)C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000925854568 648466397 /nfs/dbraw/zinc/46/63/97/648466397.db2.gz ALYQGARQICXVOE-OASPWFOLSA-N 2 2 284.381 0.126 20 0 CCADLP Cn1nccc1[C@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925888633 648469108 /nfs/dbraw/zinc/46/91/08/648469108.db2.gz DNGSUSKQAFHSCO-VXGBXAGGSA-N 2 2 250.346 0.328 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cnnn1C ZINC000926288657 648495308 /nfs/dbraw/zinc/49/53/08/648495308.db2.gz WIVIZFQIEMDDCP-STQMWFEESA-N 2 2 281.404 0.967 20 0 CCADLP OCc1cn(CCC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)nn1 ZINC000926439897 648503289 /nfs/dbraw/zinc/50/32/89/648503289.db2.gz LYXNDYBCRFPPJK-HUUCEWRRSA-N 2 2 293.415 0.767 20 0 CCADLP OCc1cn(CCC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)nn1 ZINC000926439897 648503294 /nfs/dbraw/zinc/50/32/94/648503294.db2.gz LYXNDYBCRFPPJK-HUUCEWRRSA-N 2 2 293.415 0.767 20 0 CCADLP C[C@@H](O)[C@@H](O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000930129462 648827448 /nfs/dbraw/zinc/82/74/48/648827448.db2.gz PPQBFMBTYHTGEQ-YPMHNXCESA-N 2 2 265.357 0.700 20 0 CCADLP Cn1cc(CC[NH+]2CCC([N@@H+]3CCCOCC3)CC2)nn1 ZINC000931285891 648975066 /nfs/dbraw/zinc/97/50/66/648975066.db2.gz UOSOUKBBWXWRPN-UHFFFAOYSA-N 2 2 293.415 0.544 20 0 CCADLP Cn1cc(CC[NH+]2CCC([N@H+]3CCCOCC3)CC2)nn1 ZINC000931285891 648975071 /nfs/dbraw/zinc/97/50/71/648975071.db2.gz UOSOUKBBWXWRPN-UHFFFAOYSA-N 2 2 293.415 0.544 20 0 CCADLP O=C(N1CC[NH+](CCCO)CC1)C12CCC[NH+]1CCC2 ZINC000949091134 649410803 /nfs/dbraw/zinc/41/08/03/649410803.db2.gz DNWAKQYJSXTUDB-UHFFFAOYSA-N 2 2 281.400 0.141 20 0 CCADLP CON(C)C(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000091629033 649708756 /nfs/dbraw/zinc/70/87/56/649708756.db2.gz AZRRVCQZZNCQOV-NEPJUHHUSA-N 2 2 266.345 0.786 20 0 CCADLP CON(C)C(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000091629033 649708759 /nfs/dbraw/zinc/70/87/59/649708759.db2.gz AZRRVCQZZNCQOV-NEPJUHHUSA-N 2 2 266.345 0.786 20 0 CCADLP Cc1cc(N2CC[NH+](CCCCO)CC2)nc(C)[nH+]1 ZINC000303392748 649818370 /nfs/dbraw/zinc/81/83/70/649818370.db2.gz FMDJLPKDXVHYOB-UHFFFAOYSA-N 2 2 264.373 0.988 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)N1CC[NH+](CCO)CC1 ZINC000304700910 649837691 /nfs/dbraw/zinc/83/76/91/649837691.db2.gz JMUAEBOKQHCLMC-UHFFFAOYSA-N 2 2 280.372 0.108 20 0 CCADLP Cc1nc(N2CCN3CC[NH2+]C[C@H]3C2)c2c([nH+]1)CCC2 ZINC001164405870 718837571 /nfs/dbraw/zinc/83/75/71/718837571.db2.gz QGCICOCBPCDNJL-LBPRGKRZSA-N 2 2 273.384 0.368 20 0 CCADLP Cc1nc(N2CCN3CC[NH2+]C[C@@H]3C2)c(C)c(C)[nH+]1 ZINC001164404796 718841644 /nfs/dbraw/zinc/84/16/44/718841644.db2.gz NDDJTHAMCXWMCB-CYBMUJFWSA-N 2 2 261.373 0.496 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]CCC1CCOCC1 ZINC001167346570 790933246 /nfs/dbraw/zinc/93/32/46/790933246.db2.gz PCPJQJNMUHTKAE-UHFFFAOYSA-N 2 2 294.399 0.865 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]Cc1ccns1 ZINC001167345961 790934131 /nfs/dbraw/zinc/93/41/31/790934131.db2.gz DZSVEDMOFFULEQ-UHFFFAOYSA-N 2 2 279.369 0.705 20 0 CCADLP [NH3+]CCS(=O)(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000706575590 791020321 /nfs/dbraw/zinc/02/03/21/791020321.db2.gz UVCSWAALFWGVPU-UHFFFAOYSA-N 2 2 295.408 0.093 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000723879271 791305984 /nfs/dbraw/zinc/30/59/84/791305984.db2.gz MVGJGYLLQHEEMQ-VXGBXAGGSA-N 2 2 292.445 0.414 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC1(C[NH2+]CCO)CC1 ZINC001167426086 791060704 /nfs/dbraw/zinc/06/07/04/791060704.db2.gz PSWHADSEUWFGKT-GFCCVEGCSA-N 2 2 294.399 0.457 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC1(C[NH2+]CCO)CC1 ZINC001167426086 791060720 /nfs/dbraw/zinc/06/07/20/791060720.db2.gz PSWHADSEUWFGKT-GFCCVEGCSA-N 2 2 294.399 0.457 20 0 CCADLP C[N@H+](Cc1c[nH]c(=O)[nH]c1=O)C1CC[NH+](C)CC1 ZINC001231700719 805832537 /nfs/dbraw/zinc/83/25/37/805832537.db2.gz ADNGSGNOAAPDFW-UHFFFAOYSA-N 2 2 252.318 0.414 20 0 CCADLP C[N@@H+](Cc1c[nH]c(=O)[nH]c1=O)C1CC[NH+](C)CC1 ZINC001231700719 805832547 /nfs/dbraw/zinc/83/25/47/805832547.db2.gz ADNGSGNOAAPDFW-UHFFFAOYSA-N 2 2 252.318 0.414 20 0 CCADLP CN1CCO[C@]2(CCC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001277625628 805904796 /nfs/dbraw/zinc/90/47/96/805904796.db2.gz ZUWZUZJNDKLHIZ-OAHLLOKOSA-N 2 2 267.417 0.877 20 0 CCADLP CN1CCO[C@]2(CCC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001277625628 805904801 /nfs/dbraw/zinc/90/48/01/805904801.db2.gz ZUWZUZJNDKLHIZ-OAHLLOKOSA-N 2 2 267.417 0.877 20 0 CCADLP COCc1cccc(C[NH+]2CCN(CC[NH+](C)C)CC2)n1 ZINC001232250912 805913740 /nfs/dbraw/zinc/91/37/40/805913740.db2.gz HVPPPHTUKQCKPS-UHFFFAOYSA-N 2 2 292.427 0.907 20 0 CCADLP CN(C)C(=O)C[N@H+]1CC[C@H]2C[NH+](CC(F)F)C[C@H]2CC1 ZINC001277645136 805919812 /nfs/dbraw/zinc/91/98/12/805919812.db2.gz PFYVZIVELLDPCW-TXEJJXNPSA-N 2 2 289.370 0.984 20 0 CCADLP CN(C)C(=O)C[N@@H+]1CC[C@H]2C[NH+](CC(F)F)C[C@H]2CC1 ZINC001277645136 805919818 /nfs/dbraw/zinc/91/98/18/805919818.db2.gz PFYVZIVELLDPCW-TXEJJXNPSA-N 2 2 289.370 0.984 20 0 CCADLP CN(C)C(=O)C[NH+]1CC[C@H]2C[N@@H+](CC(F)F)C[C@H]2CC1 ZINC001277645136 805919824 /nfs/dbraw/zinc/91/98/24/805919824.db2.gz PFYVZIVELLDPCW-TXEJJXNPSA-N 2 2 289.370 0.984 20 0 CCADLP CN(C)C(=O)C[NH+]1CC[C@H]2C[N@H+](CC(F)F)C[C@H]2CC1 ZINC001277645136 805919828 /nfs/dbraw/zinc/91/98/28/805919828.db2.gz PFYVZIVELLDPCW-TXEJJXNPSA-N 2 2 289.370 0.984 20 0 CCADLP Cn1c[nH+]cc1N1CC2(C1)C[NH+](Cc1cn[nH]c1)C2 ZINC001277765963 806023464 /nfs/dbraw/zinc/02/34/64/806023464.db2.gz YPLDQPBVJYXCFK-UHFFFAOYSA-N 2 2 258.329 0.465 20 0 CCADLP C[NH+](C)C[C@H]1COCCN1Cc1cccc(N)[nH+]1 ZINC001233372340 806050654 /nfs/dbraw/zinc/05/06/54/806050654.db2.gz JIHNWPQAOIAVSF-LBPRGKRZSA-N 2 2 250.346 0.426 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001022692102 791528208 /nfs/dbraw/zinc/52/82/08/791528208.db2.gz FWLKDCVTDIEXJK-NNYUYHANSA-N 2 2 292.383 0.447 20 0 CCADLP Nc1cc(CNc2ncc3c(n2)C[NH2+]CC3)cc[nH+]1 ZINC001167612485 791629927 /nfs/dbraw/zinc/62/99/27/791629927.db2.gz CFSMIPBXZKGNKA-UHFFFAOYSA-N 2 2 256.313 0.712 20 0 CCADLP CCCCC[C@@H](O)CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001246024855 807124318 /nfs/dbraw/zinc/12/43/18/807124318.db2.gz QLWSBEGEBBPDFW-ILXRZTDVSA-N 2 2 269.433 0.953 20 0 CCADLP COCCOC[NH+]1CCC2(C[NH+](CC(=O)N(C)C)C2)CC1 ZINC001277898806 806307615 /nfs/dbraw/zinc/30/76/15/806307615.db2.gz ORUZWPWYGHYXRC-UHFFFAOYSA-N 2 2 299.415 0.093 20 0 CCADLP c1cc2c(cc1C[N@@H+]1CCO[C@@H]3C[NH2+]C[C@@H]3C1)C[NH2+]CC2 ZINC001234972533 806321310 /nfs/dbraw/zinc/32/13/10/806321310.db2.gz CQNYDHPUKWKLFO-IAGOWNOFSA-N 3 2 287.407 0.753 20 0 CCADLP c1cc2c(cc1C[N@H+]1CCO[C@@H]3C[NH2+]C[C@@H]3C1)C[NH2+]CC2 ZINC001234972533 806321319 /nfs/dbraw/zinc/32/13/19/806321319.db2.gz CQNYDHPUKWKLFO-IAGOWNOFSA-N 3 2 287.407 0.753 20 0 CCADLP COCCC[N@@H+]1CC[C@H]1CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001235141867 806377240 /nfs/dbraw/zinc/37/72/40/806377240.db2.gz NGWXVNSFLXOSRW-AWEZNQCLSA-N 2 2 294.399 0.912 20 0 CCADLP COCCC[N@@H+]1CC[C@H]1CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001235141867 806377261 /nfs/dbraw/zinc/37/72/61/806377261.db2.gz NGWXVNSFLXOSRW-AWEZNQCLSA-N 2 2 294.399 0.912 20 0 CCADLP COCCC[N@H+]1CC[C@H]1CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001235141867 806377270 /nfs/dbraw/zinc/37/72/70/806377270.db2.gz NGWXVNSFLXOSRW-AWEZNQCLSA-N 2 2 294.399 0.912 20 0 CCADLP CC(=O)N1CCO[C@@H]2CC[N@@H+](C[C@H](C)[NH3+])CC[C@@H]21 ZINC001235485595 806431482 /nfs/dbraw/zinc/43/14/82/806431482.db2.gz KDSXNSLOUUAJBY-WCFLWFBJSA-N 2 2 255.362 0.045 20 0 CCADLP CC(=O)N1CCO[C@@H]2CC[N@H+](C[C@H](C)[NH3+])CC[C@@H]21 ZINC001235485595 806431490 /nfs/dbraw/zinc/43/14/90/806431490.db2.gz KDSXNSLOUUAJBY-WCFLWFBJSA-N 2 2 255.362 0.045 20 0 CCADLP C[C@H]([NH3+])C[NH+]1C[C@H]2CN(Cc3nccs3)C[C@@H]2C1 ZINC001235544817 806450959 /nfs/dbraw/zinc/45/09/59/806450959.db2.gz JODLBTKOLVOKEF-SRVKXCTJSA-N 2 2 266.414 0.854 20 0 CCADLP Cc1ncn(C)c1C[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001235553668 806455829 /nfs/dbraw/zinc/45/58/29/806455829.db2.gz UEONGQYKXWRGAT-UHFFFAOYSA-N 2 2 279.432 0.798 20 0 CCADLP C[C@H]([NH3+])C[NH+]1CCC2(C[C@H](c3ccncc3)C(=O)N2)CC1 ZINC001235597261 806468923 /nfs/dbraw/zinc/46/89/23/806468923.db2.gz MQPYSXBBXOUHSO-GXTWGEPZSA-N 2 2 288.395 0.867 20 0 CCADLP [NH3+]CC[N@@H+]1CC[C@@]2(CC(=O)N(c3ccccn3)C2)C1 ZINC001235635759 806478759 /nfs/dbraw/zinc/47/87/59/806478759.db2.gz ZAVILLOOKCBKJA-CQSZACIVSA-N 2 2 260.341 0.469 20 0 CCADLP [NH3+]CC[N@H+]1CC[C@@]2(CC(=O)N(c3ccccn3)C2)C1 ZINC001235635759 806478764 /nfs/dbraw/zinc/47/87/64/806478764.db2.gz ZAVILLOOKCBKJA-CQSZACIVSA-N 2 2 260.341 0.469 20 0 CCADLP COC(=O)[C@@H]1CC[N@H+](CCCC[NH3+])[C@H](C(=O)OC)C1 ZINC001235765909 806502391 /nfs/dbraw/zinc/50/23/91/806502391.db2.gz WHMZFBIDTGFFIA-MNOVXSKESA-N 2 2 272.345 0.152 20 0 CCADLP COC(=O)[C@@H]1CC[N@@H+](CCCC[NH3+])[C@H](C(=O)OC)C1 ZINC001235765909 806502394 /nfs/dbraw/zinc/50/23/94/806502394.db2.gz WHMZFBIDTGFFIA-MNOVXSKESA-N 2 2 272.345 0.152 20 0 CCADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1CN1CC[C@@H](F)[C@@H]([NH3+])C1 ZINC001235906339 806515602 /nfs/dbraw/zinc/51/56/02/806515602.db2.gz OPMMDOPYNDSEMJ-YTWAJWBKSA-N 2 2 265.323 0.848 20 0 CCADLP NC(=O)COc1ccc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235988654 806522299 /nfs/dbraw/zinc/52/22/99/806522299.db2.gz HVUKQJYNTWNCQY-WFASDCNBSA-N 2 2 275.352 0.474 20 0 CCADLP NC(=O)COc1ccc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235988654 806522305 /nfs/dbraw/zinc/52/23/05/806522305.db2.gz HVUKQJYNTWNCQY-WFASDCNBSA-N 2 2 275.352 0.474 20 0 CCADLP CCCCc1[nH]c(CN2C[C@@H]([NH3+])C[C@H]2C(=O)OC)c[nH+]1 ZINC001236197457 806550051 /nfs/dbraw/zinc/55/00/51/806550051.db2.gz JRFXNLZZKQOCPI-JQWIXIFHSA-N 2 2 280.372 0.827 20 0 CCADLP CCCCc1[nH]cc(CN2C[C@@H]([NH3+])C[C@H]2C(=O)OC)[nH+]1 ZINC001236197457 806550057 /nfs/dbraw/zinc/55/00/57/806550057.db2.gz JRFXNLZZKQOCPI-JQWIXIFHSA-N 2 2 280.372 0.827 20 0 CCADLP Cc1cc(C[NH+]2CC3(C2)CC[NH+](CC(N)=O)CC3)n(C)n1 ZINC001277980763 806556568 /nfs/dbraw/zinc/55/65/68/806556568.db2.gz DIEPJPANDIREKB-UHFFFAOYSA-N 2 2 291.399 0.112 20 0 CCADLP COC(=O)[C@H]1CN(Cc2c[nH+]c3c(C)cccn23)C[C@H]1[NH3+] ZINC001236346237 806575685 /nfs/dbraw/zinc/57/56/85/806575685.db2.gz SHAJFDGPKHCNSO-QWHCGFSZSA-N 2 2 288.351 0.575 20 0 CCADLP [NH3+]CC[N@H+](CC[C@@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC001236522406 806591473 /nfs/dbraw/zinc/59/14/73/806591473.db2.gz NUVSYOBLQLXMHH-OAHLLOKOSA-N 3 2 263.385 0.826 20 0 CCADLP [NH3+]CC[N@@H+](CC[C@@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC001236522406 806591477 /nfs/dbraw/zinc/59/14/77/806591477.db2.gz NUVSYOBLQLXMHH-OAHLLOKOSA-N 3 2 263.385 0.826 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+](CCCC[NH3+])CC2)c1 ZINC001236535110 806593647 /nfs/dbraw/zinc/59/36/47/806593647.db2.gz RWKXMHVWKNJNTL-UHFFFAOYSA-N 3 2 264.373 0.951 20 0 CCADLP C[C@H](CO)C[N@@H+]1CC[C@H]2[C@@H]1CCN2CCn1cc[nH+]c1 ZINC001277998700 806604219 /nfs/dbraw/zinc/60/42/19/806604219.db2.gz QTHAYCFMLFADFV-KKUMJFAQSA-N 2 2 278.400 0.660 20 0 CCADLP C[C@H](CO)C[N@H+]1CC[C@H]2[C@@H]1CCN2CCn1cc[nH+]c1 ZINC001277998700 806604222 /nfs/dbraw/zinc/60/42/22/806604222.db2.gz QTHAYCFMLFADFV-KKUMJFAQSA-N 2 2 278.400 0.660 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC(=O)N3CCC[C@H]3C2)O1 ZINC001236847795 806614575 /nfs/dbraw/zinc/61/45/75/806614575.db2.gz MFNWPCSIFFOWHN-RYUDHWBXSA-N 2 2 267.373 0.408 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC(=O)N3CCC[C@H]3C2)O1 ZINC001236847795 806614579 /nfs/dbraw/zinc/61/45/79/806614579.db2.gz MFNWPCSIFFOWHN-RYUDHWBXSA-N 2 2 267.373 0.408 20 0 CCADLP CCn1c[nH+]cc1CN1CCOC[C@@H]1C[NH+](C)C ZINC001237597393 806692550 /nfs/dbraw/zinc/69/25/50/806692550.db2.gz OVTAHEYLNFNENN-ZDUSSCGKSA-N 2 2 252.362 0.665 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC001120563610 798866864 /nfs/dbraw/zinc/86/68/64/798866864.db2.gz ULOMSWLTVCSRPD-CHWSQXEVSA-N 2 2 256.390 0.726 20 0 CCADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC001120563610 798866868 /nfs/dbraw/zinc/86/68/68/798866868.db2.gz ULOMSWLTVCSRPD-CHWSQXEVSA-N 2 2 256.390 0.726 20 0 CCADLP CC(C)(O)[C@H]([NH3+])C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001121910552 799090676 /nfs/dbraw/zinc/09/06/76/799090676.db2.gz LEDVOOUJUVKOIE-NXEZZACHSA-N 2 2 266.345 0.214 20 0 CCADLP O=C(N1CCC(n2cc[nH+]c2)CC1)C12CC(C1)C[NH2+]2 ZINC001121915177 799091881 /nfs/dbraw/zinc/09/18/81/799091881.db2.gz BGMNRQHQOCFXLJ-UHFFFAOYSA-N 2 2 260.341 0.799 20 0 CCADLP C[C@@H]([NH3+])C1(C(=O)NCCCCn2cc[nH+]c2)CCOCC1 ZINC001121990018 799114972 /nfs/dbraw/zinc/11/49/72/799114972.db2.gz ZOHYGHHWIOYGBN-CYBMUJFWSA-N 2 2 294.399 0.924 20 0 CCADLP C[C@@H](CNC(=O)CC1CC([NH3+])C1)Cn1cc[nH+]c1 ZINC001121990022 799115067 /nfs/dbraw/zinc/11/50/67/799115067.db2.gz ZQHNRQFAUILKDC-UNXYVOJBSA-N 2 2 250.346 0.763 20 0 CCADLP CC[C@H](C(=O)N1CC[C@H]([NH3+])C1)[N@@H+]1CCO[C@@H](CC)C1 ZINC001122009501 799120189 /nfs/dbraw/zinc/12/01/89/799120189.db2.gz RBMLLBLAEFDAMV-RWMBFGLXSA-N 2 2 269.389 0.435 20 0 CCADLP CC[C@H](C(=O)N1CC[C@H]([NH3+])C1)[N@H+]1CCO[C@@H](CC)C1 ZINC001122009501 799120192 /nfs/dbraw/zinc/12/01/92/799120192.db2.gz RBMLLBLAEFDAMV-RWMBFGLXSA-N 2 2 269.389 0.435 20 0 CCADLP CC1(C)CC[C@H]1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001122157885 799157057 /nfs/dbraw/zinc/15/70/57/799157057.db2.gz XFNQJZCDBUCQHV-LBPRGKRZSA-N 2 2 253.390 0.962 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCCCCN1CC[NH2+]CC1 ZINC001122277467 799184162 /nfs/dbraw/zinc/18/41/62/799184162.db2.gz KVPZSLBPCGUZSG-UHFFFAOYSA-N 2 2 293.415 0.465 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CC1CC([NH3+])C1 ZINC001122616263 799275538 /nfs/dbraw/zinc/27/55/38/799275538.db2.gz YQFOFWOOMLBHST-PNESKVBLSA-N 2 2 269.389 0.293 20 0 CCADLP CCc1noc([C@@H](C)[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001124867096 799641566 /nfs/dbraw/zinc/64/15/66/799641566.db2.gz RUKXUAWCWBADLO-GHMZBOCLSA-N 2 2 295.387 0.493 20 0 CCADLP CCc1noc([C@@H](C)[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001124867096 799641569 /nfs/dbraw/zinc/64/15/69/799641569.db2.gz RUKXUAWCWBADLO-GHMZBOCLSA-N 2 2 295.387 0.493 20 0 CCADLP COc1ncc(C[N@H+](C)CCN2CC[NH+](C)CC2)s1 ZINC001139818463 799845980 /nfs/dbraw/zinc/84/59/80/799845980.db2.gz ICJMZERLDHLNKH-UHFFFAOYSA-N 2 2 284.429 0.831 20 0 CCADLP COc1ncc(C[N@@H+](C)CCN2CC[NH+](C)CC2)s1 ZINC001139818463 799845987 /nfs/dbraw/zinc/84/59/87/799845987.db2.gz ICJMZERLDHLNKH-UHFFFAOYSA-N 2 2 284.429 0.831 20 0 CCADLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1cnc(Cl)nc1 ZINC001139992301 799863662 /nfs/dbraw/zinc/86/36/62/799863662.db2.gz YOBZEFZHZXMFNV-UHFFFAOYSA-N 2 2 283.807 0.809 20 0 CCADLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cnc(Cl)nc1 ZINC001139992301 799863669 /nfs/dbraw/zinc/86/36/69/799863669.db2.gz YOBZEFZHZXMFNV-UHFFFAOYSA-N 2 2 283.807 0.809 20 0 CCADLP COC(=O)CN1CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140807323 799942737 /nfs/dbraw/zinc/94/27/37/799942737.db2.gz VNGOSNFFGSUPOO-UHFFFAOYSA-N 2 2 288.351 0.854 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]C[C@@H]1CCOC1 ZINC001149570963 800276426 /nfs/dbraw/zinc/27/64/26/800276426.db2.gz IQFPQLKGLHBUOL-LBPRGKRZSA-N 2 2 280.372 0.095 20 0 CCADLP CCC[N@@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150380734 800334395 /nfs/dbraw/zinc/33/43/95/800334395.db2.gz YNVOFBWXVVVLEX-ZDUSSCGKSA-N 2 2 280.372 0.569 20 0 CCADLP CCC[N@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150380734 800334401 /nfs/dbraw/zinc/33/44/01/800334401.db2.gz YNVOFBWXVVVLEX-ZDUSSCGKSA-N 2 2 280.372 0.569 20 0 CCADLP CCc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001151066965 800394302 /nfs/dbraw/zinc/39/43/02/800394302.db2.gz ZHTXNYJGNXVKLS-GHMZBOCLSA-N 2 2 295.387 0.351 20 0 CCADLP CCc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001151066965 800394307 /nfs/dbraw/zinc/39/43/07/800394307.db2.gz ZHTXNYJGNXVKLS-GHMZBOCLSA-N 2 2 295.387 0.351 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)C[NH+]2CCCC2)o1 ZINC001151100411 800400108 /nfs/dbraw/zinc/40/01/08/800400108.db2.gz CBIXWKRQMFMDJH-SNVBAGLBSA-N 2 2 281.360 0.241 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2C)s1 ZINC001151122954 800402097 /nfs/dbraw/zinc/40/20/97/800402097.db2.gz XRSXJISZNKOGDX-UHFFFAOYSA-N 2 2 294.384 0.257 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2C)o1 ZINC001151147437 800404176 /nfs/dbraw/zinc/40/41/76/800404176.db2.gz NYKINCTYKHXOQU-UHFFFAOYSA-N 2 2 291.355 0.648 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001152489948 800529375 /nfs/dbraw/zinc/52/93/75/800529375.db2.gz JRTRZUITTAWRCR-PWSUYJOCSA-N 2 2 268.361 0.017 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001152489948 800529379 /nfs/dbraw/zinc/52/93/79/800529379.db2.gz JRTRZUITTAWRCR-PWSUYJOCSA-N 2 2 268.361 0.017 20 0 CCADLP CO[C@@H](C[NH2+]CCNC(=O)Cn1cc[nH+]c1)C1CCCC1 ZINC001153495684 800635252 /nfs/dbraw/zinc/63/52/52/800635252.db2.gz NELSBEYTFPEBKJ-AWEZNQCLSA-N 2 2 294.399 0.794 20 0 CCADLP Cc1cc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2)sn1 ZINC001153496145 800635459 /nfs/dbraw/zinc/63/54/59/800635459.db2.gz SUIBXOFLIVMGDK-UHFFFAOYSA-N 2 2 279.369 0.554 20 0 CCADLP Cn1cc[nH+]c1CCNC(=O)C1([NH+](C)C)CCCC1 ZINC001154598700 800807275 /nfs/dbraw/zinc/80/72/75/800807275.db2.gz LSMJJFPDOOGVTI-UHFFFAOYSA-N 2 2 264.373 0.953 20 0 CCADLP C[C@@H](CC[NH+](C)C)C(=O)NCCc1[nH+]ccn1C ZINC001154598532 800807644 /nfs/dbraw/zinc/80/76/44/800807644.db2.gz IRUVAZMVNLQTIV-NSHDSACASA-N 2 2 252.362 0.667 20 0 CCADLP COc1nccnc1N1CCC[C@@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155363503 800959421 /nfs/dbraw/zinc/95/94/21/800959421.db2.gz NCWXHZQQVBZYQX-GFCCVEGCSA-N 2 2 277.372 0.345 20 0 CCADLP Cc1nc(NCc2nnn3c2C[NH2+]CCC3)c2c([nH+]1)CCC2 ZINC001155398023 800967480 /nfs/dbraw/zinc/96/74/80/800967480.db2.gz QYGVDCNGNQXVBO-UHFFFAOYSA-N 2 2 299.382 0.971 20 0 CCADLP C[C@@H](C[NH+](C)C)Nc1cc(N2CCC[C@@H]2C(N)=O)[nH+]cn1 ZINC001155922670 801077868 /nfs/dbraw/zinc/07/78/68/801077868.db2.gz YDPNVWDZPMNYPI-WDEREUQCSA-N 2 2 292.387 0.293 20 0 CCADLP C[NH+](C)C1(CNc2cccc(C(N)=O)n2)CC[NH+](C)CC1 ZINC001156185061 801123411 /nfs/dbraw/zinc/12/34/11/801123411.db2.gz LIZPVPNXEBZKQQ-UHFFFAOYSA-N 2 2 291.399 0.618 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Nc2ccc3c(n2)CC[NH2+]C3)C[NH2+]1 ZINC001156243167 801138552 /nfs/dbraw/zinc/13/85/52/801138552.db2.gz POOZSZBVERFJNQ-JQWIXIFHSA-N 2 2 276.340 0.043 20 0 CCADLP CC[N@H+](CCOC)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157293553 801345031 /nfs/dbraw/zinc/34/50/31/801345031.db2.gz IACOGDOFRFTGFK-GFCCVEGCSA-N 2 2 268.361 0.356 20 0 CCADLP CC[N@@H+](CCOC)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157293553 801345035 /nfs/dbraw/zinc/34/50/35/801345035.db2.gz IACOGDOFRFTGFK-GFCCVEGCSA-N 2 2 268.361 0.356 20 0 CCADLP CC(=N)N(Cc1cccc(C[NH3+])c1)C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001157414106 801376418 /nfs/dbraw/zinc/37/64/18/801376418.db2.gz TVQFYYNXASNZER-KBPBESRZSA-N 3 2 289.383 0.018 20 0 CCADLP Cn1cc[nH+]c1CCNC(=O)[C@H]([NH3+])Cc1cccc(O)c1 ZINC001157423201 801379530 /nfs/dbraw/zinc/37/95/30/801379530.db2.gz OYPSAUFSEAMZEU-CYBMUJFWSA-N 2 2 288.351 0.354 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(F)(C2CC2)C1 ZINC001157702896 801459017 /nfs/dbraw/zinc/45/90/17/801459017.db2.gz FYOOTSOVFTVCOU-JTQLQIEISA-N 2 2 252.293 0.240 20 0 CCADLP C[C@H]1C[C@@H](CF)N(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001157877686 801509105 /nfs/dbraw/zinc/50/91/05/801509105.db2.gz NUJFQOPIFAVBQM-SRRSOLGSSA-N 2 2 255.337 0.144 20 0 CCADLP C[C@@H]1C(=O)Nc2ncnc(NC(=[NH2+])N3CC[NH+](C)CC3)c21 ZINC001157915249 801520805 /nfs/dbraw/zinc/52/08/05/801520805.db2.gz NDFUUSHZCNGBKA-QMMMGPOBSA-N 2 2 289.343 0.126 20 0 CCADLP CN(C)c1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)nn1 ZINC001157915467 801521175 /nfs/dbraw/zinc/52/11/75/801521175.db2.gz YTXSWVUISWOENG-UHFFFAOYSA-N 2 2 263.349 0.137 20 0 CCADLP C[C@]1(CF)CC(F)(F)CN1C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157952890 801539077 /nfs/dbraw/zinc/53/90/77/801539077.db2.gz XUAHEQHFBOQEII-NDMJEZRESA-N 2 2 291.317 0.534 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC(OC2CCC2)CC1 ZINC001157960887 801539872 /nfs/dbraw/zinc/53/98/72/801539872.db2.gz RVJSTBFKLORTIX-STQMWFEESA-N 2 2 267.373 0.093 20 0 CCADLP [NH3+]C1(C(=O)N2CCC3(C[C@H]3CCO)CC2)CC[NH2+]CC1 ZINC001158111740 801573434 /nfs/dbraw/zinc/57/34/34/801573434.db2.gz REMJVXADXOZQLX-GFCCVEGCSA-N 2 2 281.400 0.078 20 0 CCADLP Cc1cc(Cl)nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158203057 801591541 /nfs/dbraw/zinc/59/15/41/801591541.db2.gz DJIODYIRZAHUPU-MRVPVSSYSA-N 2 2 267.720 0.486 20 0 CCADLP COc1c(Cl)nc(C)nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158204547 801592437 /nfs/dbraw/zinc/59/24/37/801592437.db2.gz QMRISCNRQXWUGS-MRVPVSSYSA-N 2 2 297.746 0.495 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncc2c(n1)CCCC2 ZINC001158209045 801595462 /nfs/dbraw/zinc/59/54/62/801595462.db2.gz FOHJKSKSHNJZAC-LLVKDONJSA-N 2 2 273.340 0.403 20 0 CCADLP CC(C)Oc1cncc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158209146 801595517 /nfs/dbraw/zinc/59/55/17/801595517.db2.gz HZSPVGXBMGRNMO-SNVBAGLBSA-N 2 2 277.328 0.312 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc(-c2ccco2)nn1 ZINC001158209289 801595690 /nfs/dbraw/zinc/59/56/90/801595690.db2.gz PHNPRCBZXIBEHN-SNVBAGLBSA-N 2 2 285.307 0.784 20 0 CCADLP COc1cc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)ncn1 ZINC001158257437 801607006 /nfs/dbraw/zinc/60/70/06/801607006.db2.gz FDYXTUXDTWMFCD-NSHDSACASA-N 2 2 277.372 0.487 20 0 CCADLP COc1cc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)ncn1 ZINC001158257437 801607012 /nfs/dbraw/zinc/60/70/12/801607012.db2.gz FDYXTUXDTWMFCD-NSHDSACASA-N 2 2 277.372 0.487 20 0 CCADLP NC(=O)c1cccc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158261489 801608976 /nfs/dbraw/zinc/60/89/76/801608976.db2.gz MYMJUXAYJLNQPI-NSHDSACASA-N 2 2 289.383 0.182 20 0 CCADLP NC(=O)c1cccc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158261489 801608977 /nfs/dbraw/zinc/60/89/77/801608977.db2.gz MYMJUXAYJLNQPI-NSHDSACASA-N 2 2 289.383 0.182 20 0 CCADLP Cc1nc(-n2cncn2)cc(NCC[C@H]2CCC[NH2+]2)[nH+]1 ZINC001158632329 801674520 /nfs/dbraw/zinc/67/45/20/801674520.db2.gz RZUOLBTUBYIFIF-LLVKDONJSA-N 2 2 273.344 0.920 20 0 CCADLP C[N@H+]1CCO[C@H]2CN(C(=O)C[C@@H]([NH3+])COC(C)(C)C)C[C@H]21 ZINC001158803516 801708414 /nfs/dbraw/zinc/70/84/14/801708414.db2.gz GMHQYZLTVJAAJP-UPJWGTAASA-N 2 2 299.415 0.060 20 0 CCADLP C[N@@H+]1CCO[C@H]2CN(C(=O)C[C@@H]([NH3+])COC(C)(C)C)C[C@H]21 ZINC001158803516 801708408 /nfs/dbraw/zinc/70/84/08/801708408.db2.gz GMHQYZLTVJAAJP-UPJWGTAASA-N 2 2 299.415 0.060 20 0 CCADLP CC(C)[N@H+](C)Cc1n[nH]c2c1CCN(C(=O)[C@@H](C)[NH3+])C2 ZINC001158856347 801713739 /nfs/dbraw/zinc/71/37/39/801713739.db2.gz NRKHHHVRBCZYQA-SNVBAGLBSA-N 2 2 279.388 0.482 20 0 CCADLP CC(C)[N@@H+](C)Cc1n[nH]c2c1CCN(C(=O)[C@@H](C)[NH3+])C2 ZINC001158856347 801713742 /nfs/dbraw/zinc/71/37/42/801713742.db2.gz NRKHHHVRBCZYQA-SNVBAGLBSA-N 2 2 279.388 0.482 20 0 CCADLP C[NH+]1CC2(CN(c3cccc(N4CC[NH+](C)CC4)n3)C2)C1 ZINC001158866063 801717520 /nfs/dbraw/zinc/71/75/20/801717520.db2.gz KIHPFKFIBWDSRR-UHFFFAOYSA-N 2 2 287.411 0.585 20 0 CCADLP c1cc(N2CC3(C2)CCC[NH2+]C3)[nH+]cc1N1CC[NH2+]CC1 ZINC001159025687 801742246 /nfs/dbraw/zinc/74/22/46/801742246.db2.gz WCKMGZZNGJEOKR-UHFFFAOYSA-N 3 2 287.411 0.681 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]2C[C@@H](F)C[C@H]2C1 ZINC001159097435 801758814 /nfs/dbraw/zinc/75/88/14/801758814.db2.gz GRHYISPGDAFQDD-SRVKXCTJSA-N 2 2 255.337 0.335 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]2C[C@@H](F)C[C@H]2C1 ZINC001159097435 801758819 /nfs/dbraw/zinc/75/88/19/801758819.db2.gz GRHYISPGDAFQDD-SRVKXCTJSA-N 2 2 255.337 0.335 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001159097435 801758823 /nfs/dbraw/zinc/75/88/23/801758823.db2.gz GRHYISPGDAFQDD-SRVKXCTJSA-N 2 2 255.337 0.335 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001159097435 801758830 /nfs/dbraw/zinc/75/88/30/801758830.db2.gz GRHYISPGDAFQDD-SRVKXCTJSA-N 2 2 255.337 0.335 20 0 CCADLP CCN(CC)c1cc(NCCOCCOCC[NH3+])[nH+]cn1 ZINC001159445074 801808458 /nfs/dbraw/zinc/80/84/58/801808458.db2.gz DRNQLRDJDSSMDI-UHFFFAOYSA-N 2 2 297.403 0.727 20 0 CCADLP CCN(CC)c1cc(NCCOCCOCC[NH3+])nc[nH+]1 ZINC001159445074 801808467 /nfs/dbraw/zinc/80/84/67/801808467.db2.gz DRNQLRDJDSSMDI-UHFFFAOYSA-N 2 2 297.403 0.727 20 0 CCADLP C[C@H](O)CCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160331874 801931147 /nfs/dbraw/zinc/93/11/47/801931147.db2.gz BQRKHYOAGNXQQC-YNEHKIRRSA-N 2 2 294.399 0.770 20 0 CCADLP C[C@H](O)CCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160331874 801931151 /nfs/dbraw/zinc/93/11/51/801931151.db2.gz BQRKHYOAGNXQQC-YNEHKIRRSA-N 2 2 294.399 0.770 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2CCC3(C2)OCCO3)cc1 ZINC001160470572 801946405 /nfs/dbraw/zinc/94/64/05/801946405.db2.gz BNERTMRXFVOXQK-CYBMUJFWSA-N 2 2 291.351 0.234 20 0 CCADLP C[C@@H](C[NH3+])C(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC001160484146 801949492 /nfs/dbraw/zinc/94/94/92/801949492.db2.gz YXJZOUCFFJEFHB-ZDUSSCGKSA-N 2 2 276.384 0.363 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@H]1COCc1ccccc1 ZINC001160526656 801961561 /nfs/dbraw/zinc/96/15/61/801961561.db2.gz LNCVCMAOGZCKDM-KKUMJFAQSA-N 2 2 289.379 0.351 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC(c2ccccn2)CC1 ZINC001160530378 801962758 /nfs/dbraw/zinc/96/27/58/801962758.db2.gz HTLBPLHWRYCFAH-STQMWFEESA-N 2 2 274.368 0.334 20 0 CCADLP COC(C)(C)[C@@H]1CCCN1C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160581224 801975731 /nfs/dbraw/zinc/97/57/31/801975731.db2.gz FIIHJVJMDGDVHS-TYNCELHUSA-N 2 2 281.400 0.354 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCCC[NH2+]CCF)c[nH+]1 ZINC001160820740 802022588 /nfs/dbraw/zinc/02/25/88/802022588.db2.gz SYERIYRSVSFCBE-UHFFFAOYSA-N 2 2 270.352 0.992 20 0 CCADLP CC(=O)c1ccc2c(c1)CN(C(=O)[C@@H]([NH3+])CC[NH3+])CC2 ZINC001160849000 802030510 /nfs/dbraw/zinc/03/05/10/802030510.db2.gz LVIUIOQXTPUXIK-AWEZNQCLSA-N 2 2 275.352 0.450 20 0 CCADLP CN(Cc1ccc(F)cc1F)C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160876360 802039096 /nfs/dbraw/zinc/03/90/96/802039096.db2.gz WFVJMAWCVMQALH-XHDPSFHLSA-N 2 2 295.333 0.875 20 0 CCADLP COC(=O)[C@]1([NH3+])CCN(C(=O)CCCCCCC[NH3+])C1 ZINC001161138084 802098990 /nfs/dbraw/zinc/09/89/90/802098990.db2.gz MOMKJXWEGXGTDX-AWEZNQCLSA-N 2 2 285.388 0.389 20 0 CCADLP CCN(C(=O)[C@H]([NH3+])[C@@H](C)OC(C)(C)C)C1C[NH+](C)C1 ZINC001161137517 802100300 /nfs/dbraw/zinc/10/03/00/802100300.db2.gz FQESWFMHXIKEQY-ZYHUDNBSSA-N 2 2 271.405 0.680 20 0 CCADLP Cc1cccc(N(C(=O)[C@@H]([NH3+])CC[NH3+])C2CC[NH2+]CC2)n1 ZINC001161303434 802122711 /nfs/dbraw/zinc/12/27/11/802122711.db2.gz YMBCNKVODRSTIK-ZDUSSCGKSA-N 3 2 291.399 0.151 20 0 CCADLP COC[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001161310806 802123349 /nfs/dbraw/zinc/12/33/49/802123349.db2.gz YTSADSIYARGKPY-CHWSQXEVSA-N 2 2 294.399 0.576 20 0 CCADLP CCN(C(=O)[C@@H]1CC[NH2+][C@@H](C(=O)OC)C1)[C@H]1CCC[NH2+]C1 ZINC001161331371 802128624 /nfs/dbraw/zinc/12/86/24/802128624.db2.gz WUXJOLZIPAYZLC-FRRDWIJNSA-N 2 2 297.399 0.128 20 0 CCADLP C[NH+]1CCC(N(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C2CCCC2)CC1 ZINC001161453774 802156797 /nfs/dbraw/zinc/15/67/97/802156797.db2.gz MNXBBUGVKQAFJZ-GJZGRUSLSA-N 3 2 294.443 0.399 20 0 CCADLP Cc1nc2c(o1)CCN(C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)C2 ZINC001161523674 802170008 /nfs/dbraw/zinc/17/00/08/802170008.db2.gz PCGGWGTVKBJHOT-SNVBAGLBSA-N 2 2 275.312 0.161 20 0 CCADLP COCCC1([NH3+])CCN(c2cc(N)nc[nH+]2)CC1 ZINC001162047110 802269510 /nfs/dbraw/zinc/26/95/10/802269510.db2.gz XEQKOAJLRPMKIG-UHFFFAOYSA-N 2 2 251.334 0.393 20 0 CCADLP C[C@@H](CN1CC[NH2+]CC1)Nc1ccn2cc(N)[nH+]c2c1 ZINC001162092618 802274213 /nfs/dbraw/zinc/27/42/13/802274213.db2.gz JHYAKCUNRPWEEZ-NSHDSACASA-N 2 2 274.372 0.622 20 0 CCADLP NC(=O)c1c[nH]c2nc[nH+]c(N[C@H]3CCC[C@H]([NH3+])C3)c12 ZINC001162396829 802334744 /nfs/dbraw/zinc/33/47/44/802334744.db2.gz OAXNLUVFFRKCFR-YUMQZZPRSA-N 2 2 274.328 0.739 20 0 CCADLP C[NH+]1CCN(c2[nH]ccc(=NC3=CCOC3=O)[nH+]2)CC1 ZINC001162705454 802403216 /nfs/dbraw/zinc/40/32/16/802403216.db2.gz SONFORIIUQBSCN-UHFFFAOYSA-N 2 2 275.312 0.081 20 0 CCADLP C[N@@H+]1CCC[C@H](N[C@H]2CC[NH+](C3CCOCC3)C2)C1 ZINC001255475273 808382165 /nfs/dbraw/zinc/38/21/65/808382165.db2.gz MYUFXQUPPDZBSD-KBPBESRZSA-N 2 2 267.417 0.924 20 0 CCADLP C[N@H+]1CCC[C@H](N[C@H]2CC[NH+](C3CCOCC3)C2)C1 ZINC001255475273 808382172 /nfs/dbraw/zinc/38/21/72/808382172.db2.gz MYUFXQUPPDZBSD-KBPBESRZSA-N 2 2 267.417 0.924 20 0 CCADLP C[NH+]1CCC[C@H](N[C@H]2CC[N@@H+](C3CCOCC3)C2)C1 ZINC001255475273 808382183 /nfs/dbraw/zinc/38/21/83/808382183.db2.gz MYUFXQUPPDZBSD-KBPBESRZSA-N 2 2 267.417 0.924 20 0 CCADLP C[NH+]1CCC[C@H](N[C@H]2CC[N@H+](C3CCOCC3)C2)C1 ZINC001255475273 808382189 /nfs/dbraw/zinc/38/21/89/808382189.db2.gz MYUFXQUPPDZBSD-KBPBESRZSA-N 2 2 267.417 0.924 20 0 CCADLP CNc1ccc(NCc2nnn3c2C[NH2+]CCC3)c[nH+]1 ZINC001162972129 802445405 /nfs/dbraw/zinc/44/54/05/802445405.db2.gz QGHIOIRIZVGUJT-UHFFFAOYSA-N 2 2 273.344 0.820 20 0 CCADLP CCN(C)c1cc(N[C@H]2COCCC23C[NH2+]C3)[nH+]cn1 ZINC001163070001 802473117 /nfs/dbraw/zinc/47/31/17/802473117.db2.gz SIRIVPSMLZGJAX-NSHDSACASA-N 2 2 277.372 0.723 20 0 CCADLP CCN(C)c1cc(N[C@H]2COCCC23C[NH2+]C3)nc[nH+]1 ZINC001163070001 802473124 /nfs/dbraw/zinc/47/31/24/802473124.db2.gz SIRIVPSMLZGJAX-NSHDSACASA-N 2 2 277.372 0.723 20 0 CCADLP CNC(=O)[C@H](CCCC[NH3+])Nc1cc(N(C)C)nc[nH+]1 ZINC001163439162 802556825 /nfs/dbraw/zinc/55/68/25/802556825.db2.gz PYGMZXULUPUDTG-JTQLQIEISA-N 2 2 280.376 0.198 20 0 CCADLP CNC(=O)[C@H](CCCC[NH3+])Nc1cc(N(C)C)[nH+]cn1 ZINC001163439162 802556828 /nfs/dbraw/zinc/55/68/28/802556828.db2.gz PYGMZXULUPUDTG-JTQLQIEISA-N 2 2 280.376 0.198 20 0 CCADLP CCOC(=O)CC1([NH3+])CCN(c2cc(N)nc[nH+]2)CC1 ZINC001163531901 802568130 /nfs/dbraw/zinc/56/81/30/802568130.db2.gz YDGCUMYRQSVORQ-UHFFFAOYSA-N 2 2 279.344 0.310 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCC[NH2+]Cc1nncs1 ZINC001163594252 802573871 /nfs/dbraw/zinc/57/38/71/802573871.db2.gz SYXQYUXTKBXWRH-UHFFFAOYSA-N 2 2 294.384 0.421 20 0 CCADLP C[C@@H](O)CCC[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163594355 802574106 /nfs/dbraw/zinc/57/41/06/802574106.db2.gz XHOURPWJYKLVEE-CYBMUJFWSA-N 2 2 282.388 0.530 20 0 CCADLP COC[C@H](C)[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163598870 802575701 /nfs/dbraw/zinc/57/57/01/802575701.db2.gz HSJAFLNLLWYYFU-LBPRGKRZSA-N 2 2 268.361 0.404 20 0 CCADLP C[NH+]1CCN(c2cccc(N3CC4(CC(O)C4)C3)[nH+]2)CC1 ZINC001163738844 802602579 /nfs/dbraw/zinc/60/25/79/802602579.db2.gz SJOCJUVNZNTEHQ-UHFFFAOYSA-N 2 2 288.395 0.795 20 0 CCADLP C[NH+](C)C1(CNc2nccn3ncnc23)CC[NH+](C)CC1 ZINC001164216704 802689372 /nfs/dbraw/zinc/68/93/72/802689372.db2.gz IUQSTOKWFLPLHV-UHFFFAOYSA-N 2 2 289.387 0.562 20 0 CCADLP C[NH+](C)C1(CNc2ccc3nncn3n2)CC[NH+](C)CC1 ZINC001164213348 802689459 /nfs/dbraw/zinc/68/94/59/802689459.db2.gz SXDYXTPMOVTLOV-UHFFFAOYSA-N 2 2 289.387 0.562 20 0 CCADLP C/C=C(\NC=[NH2+])[NH2+]C1CCN(S(=O)(=O)CC)CC1 ZINC001164311434 802718456 /nfs/dbraw/zinc/71/84/56/802718456.db2.gz MRDZUOJYDDFAGT-QDEBKDIKSA-N 2 2 274.390 0.448 20 0 CCADLP Nc1cc(N2CC[NH+](CCc3ccncc3)CC2)nc[nH+]1 ZINC001165060269 802779244 /nfs/dbraw/zinc/77/92/44/802779244.db2.gz PEOCQSGSQDOZOD-UHFFFAOYSA-N 2 2 284.367 0.819 20 0 CCADLP CN(C)c1cc(N2CCC(F)(C[NH3+])CC2)nc[nH+]1 ZINC001165259099 802806520 /nfs/dbraw/zinc/80/65/20/802806520.db2.gz DKKDGWLCODDSRK-UHFFFAOYSA-N 2 2 253.325 0.810 20 0 CCADLP CN(C)c1cc(N2CCC(F)(C[NH3+])CC2)[nH+]cn1 ZINC001165259099 802806528 /nfs/dbraw/zinc/80/65/28/802806528.db2.gz DKKDGWLCODDSRK-UHFFFAOYSA-N 2 2 253.325 0.810 20 0 CCADLP C[C@@H](O)C[NH2+]CC1(CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001165383292 802831086 /nfs/dbraw/zinc/83/10/86/802831086.db2.gz FOQOAOJJDLGXOP-GFCCVEGCSA-N 2 2 294.399 0.599 20 0 CCADLP C[C@@H](O)C[NH2+]CC1(CCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001165383292 802831092 /nfs/dbraw/zinc/83/10/92/802831092.db2.gz FOQOAOJJDLGXOP-GFCCVEGCSA-N 2 2 294.399 0.599 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925847991 812451527 /nfs/dbraw/zinc/45/15/27/812451527.db2.gz XOJOSTPBXSFOJY-LSDHHAIUSA-N 3 2 268.449 0.650 20 0 CCADLP CCc1cc(C[N@H+](C)CCN2CC[NH+](C)CC2)on1 ZINC001203226439 803023722 /nfs/dbraw/zinc/02/37/22/803023722.db2.gz NMVRAQKWSSZSOI-UHFFFAOYSA-N 2 2 266.389 0.916 20 0 CCADLP CCc1cc(C[N@@H+](C)CCN2CC[NH+](C)CC2)on1 ZINC001203226439 803023728 /nfs/dbraw/zinc/02/37/28/803023728.db2.gz NMVRAQKWSSZSOI-UHFFFAOYSA-N 2 2 266.389 0.916 20 0 CCADLP CC1(C[NH+]2CC3(CN(CCn4cc[nH+]c4)C3)C2)COC1 ZINC001276421674 803045879 /nfs/dbraw/zinc/04/58/79/803045879.db2.gz OGJYFBOLQCSHQA-UHFFFAOYSA-N 2 2 276.384 0.537 20 0 CCADLP CC1(C[N@@H+]2CC[C@H]3CN(CCn4cc[nH+]c4)C[C@H]32)COC1 ZINC001276422786 803046735 /nfs/dbraw/zinc/04/67/35/803046735.db2.gz YLZDNPZGOXJYKG-LSDHHAIUSA-N 2 2 290.411 0.926 20 0 CCADLP CC1(C[N@H+]2CC[C@H]3CN(CCn4cc[nH+]c4)C[C@H]32)COC1 ZINC001276422786 803046743 /nfs/dbraw/zinc/04/67/43/803046743.db2.gz YLZDNPZGOXJYKG-LSDHHAIUSA-N 2 2 290.411 0.926 20 0 CCADLP CN(C)CC[NH+]1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001276463358 803084601 /nfs/dbraw/zinc/08/46/01/803084601.db2.gz LHOAQQUVLWDOHS-UHFFFAOYSA-N 2 2 277.416 0.869 20 0 CCADLP C[NH+](C)CCN1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001276463358 803084606 /nfs/dbraw/zinc/08/46/06/803084606.db2.gz LHOAQQUVLWDOHS-UHFFFAOYSA-N 2 2 277.416 0.869 20 0 CCADLP [NH3+][C@H]1CN(Cc2cccc(C[NH+]3CCOCC3)c2)C[C@H]1F ZINC001204823817 803103253 /nfs/dbraw/zinc/10/32/53/803103253.db2.gz MCIQACIPTAUTIF-CVEARBPZSA-N 2 2 293.386 1.000 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2cc3c(cn2)OCCO3)C1 ZINC001205680969 803155151 /nfs/dbraw/zinc/15/51/51/803155151.db2.gz CPCOHQKYFZWQPP-OAHLLOKOSA-N 2 2 293.367 0.529 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2cc3c(cn2)OCCO3)C1 ZINC001205680969 803155157 /nfs/dbraw/zinc/15/51/57/803155157.db2.gz CPCOHQKYFZWQPP-OAHLLOKOSA-N 2 2 293.367 0.529 20 0 CCADLP CCOC(=O)c1[nH]ccc1C[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205688966 803155943 /nfs/dbraw/zinc/15/59/43/803155943.db2.gz MKVWZPZZDXOBBD-HNNXBMFYSA-N 2 2 295.383 0.867 20 0 CCADLP CCOC(=O)c1[nH]ccc1C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205688966 803155948 /nfs/dbraw/zinc/15/59/48/803155948.db2.gz MKVWZPZZDXOBBD-HNNXBMFYSA-N 2 2 295.383 0.867 20 0 CCADLP COC(=O)c1ccnc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)c1 ZINC001205724987 803165335 /nfs/dbraw/zinc/16/53/35/803165335.db2.gz BVUMHUILPNQNKL-HNNXBMFYSA-N 2 2 293.367 0.544 20 0 CCADLP COC(=O)c1ccnc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c1 ZINC001205724987 803165341 /nfs/dbraw/zinc/16/53/41/803165341.db2.gz BVUMHUILPNQNKL-HNNXBMFYSA-N 2 2 293.367 0.544 20 0 CCADLP COc1cc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)cc(OC)n1 ZINC001205726513 803167919 /nfs/dbraw/zinc/16/79/19/803167919.db2.gz TXEWSPUCWIYVAW-OAHLLOKOSA-N 2 2 295.383 0.775 20 0 CCADLP COc1cc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)cc(OC)n1 ZINC001205726513 803167921 /nfs/dbraw/zinc/16/79/21/803167921.db2.gz TXEWSPUCWIYVAW-OAHLLOKOSA-N 2 2 295.383 0.775 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)nc2)C[C@H]1O ZINC001205946890 803189564 /nfs/dbraw/zinc/18/95/64/803189564.db2.gz SHDPMSFIPBGZHP-ZIAGYGMSSA-N 2 2 276.384 0.576 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(N3CCCC3)nc2)C[C@H]1O ZINC001205946890 803189565 /nfs/dbraw/zinc/18/95/65/803189565.db2.gz SHDPMSFIPBGZHP-ZIAGYGMSSA-N 2 2 276.384 0.576 20 0 CCADLP COCOc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1 ZINC001205967004 803193608 /nfs/dbraw/zinc/19/36/08/803193608.db2.gz GCEMSYWPMHLXQP-ZIAGYGMSSA-N 2 2 266.341 0.563 20 0 CCADLP COCOc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1 ZINC001205967004 803193612 /nfs/dbraw/zinc/19/36/12/803193612.db2.gz GCEMSYWPMHLXQP-ZIAGYGMSSA-N 2 2 266.341 0.563 20 0 CCADLP COc1ccc(F)c(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206519685 803258009 /nfs/dbraw/zinc/25/80/09/803258009.db2.gz OPLWAPJUAATWDY-GWCFXTLKSA-N 2 2 254.305 0.586 20 0 CCADLP COc1ccc(F)c(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206519685 803258012 /nfs/dbraw/zinc/25/80/12/803258012.db2.gz OPLWAPJUAATWDY-GWCFXTLKSA-N 2 2 254.305 0.586 20 0 CCADLP C[C@H](O)C[NH2+]CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001206684166 803278149 /nfs/dbraw/zinc/27/81/49/803278149.db2.gz WJLCOELHJYHKDZ-NSHDSACASA-N 2 2 280.372 0.161 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206922312 803308055 /nfs/dbraw/zinc/30/80/55/803308055.db2.gz IFOFLWSVIDSFHO-GRYCIOLGSA-N 2 2 280.372 0.160 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206922312 803308067 /nfs/dbraw/zinc/30/80/67/803308067.db2.gz IFOFLWSVIDSFHO-GRYCIOLGSA-N 2 2 280.372 0.160 20 0 CCADLP C[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001207550782 803418182 /nfs/dbraw/zinc/41/81/82/803418182.db2.gz JGBUJBFLHWPZRQ-RTXFEEFZSA-N 2 2 271.380 0.733 20 0 CCADLP C[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001207550782 803418186 /nfs/dbraw/zinc/41/81/86/803418186.db2.gz JGBUJBFLHWPZRQ-RTXFEEFZSA-N 2 2 271.380 0.733 20 0 CCADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](C[C@@H]1CCCO1)CC2 ZINC001207850423 803456024 /nfs/dbraw/zinc/45/60/24/803456024.db2.gz NGSKVCGTTPUTDV-AWEZNQCLSA-N 2 2 295.427 0.842 20 0 CCADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](C[C@@H]1CCCO1)CC2 ZINC001207850423 803456028 /nfs/dbraw/zinc/45/60/28/803456028.db2.gz NGSKVCGTTPUTDV-AWEZNQCLSA-N 2 2 295.427 0.842 20 0 CCADLP CCOCC[NH2+][C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001207924111 803466418 /nfs/dbraw/zinc/46/64/18/803466418.db2.gz INAWZSHGAGBWIE-CYBMUJFWSA-N 2 2 294.399 0.959 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001207924623 803467040 /nfs/dbraw/zinc/46/70/40/803467040.db2.gz PBIPRJCITOSSAT-QWHCGFSZSA-N 2 2 294.399 0.958 20 0 CCADLP C[NH+]1CCC(C)(C[N@@H+]2C[C@@H](F)C[C@H]2C(N)=O)CC1 ZINC001208113716 803490960 /nfs/dbraw/zinc/49/09/60/803490960.db2.gz LWKGBQMMOCRKHK-QWRGUYRKSA-N 2 2 257.353 0.616 20 0 CCADLP C[NH+]1CCC(C)(C[N@H+]2C[C@@H](F)C[C@H]2C(N)=O)CC1 ZINC001208113716 803490964 /nfs/dbraw/zinc/49/09/64/803490964.db2.gz LWKGBQMMOCRKHK-QWRGUYRKSA-N 2 2 257.353 0.616 20 0 CCADLP C[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001208252693 803500527 /nfs/dbraw/zinc/50/05/27/803500527.db2.gz SRNVJKNNHSXWCC-VXGBXAGGSA-N 2 2 268.336 0.679 20 0 CCADLP C[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001208252693 803500530 /nfs/dbraw/zinc/50/05/30/803500530.db2.gz SRNVJKNNHSXWCC-VXGBXAGGSA-N 2 2 268.336 0.679 20 0 CCADLP C[N@@H+]1CCC[C@@H](C[NH+]2Cc3ccnn3CC[C@H]2CO)C1 ZINC001208619996 803530336 /nfs/dbraw/zinc/53/03/36/803530336.db2.gz ZYOWFQBTCZGZAO-HIFRSBDPSA-N 2 2 278.400 0.792 20 0 CCADLP C[N@H+]1CCC[C@@H](C[NH+]2Cc3ccnn3CC[C@H]2CO)C1 ZINC001208619996 803530338 /nfs/dbraw/zinc/53/03/38/803530338.db2.gz ZYOWFQBTCZGZAO-HIFRSBDPSA-N 2 2 278.400 0.792 20 0 CCADLP C[NH+]1CCC[C@@H](C[N@@H+]2Cc3ccnn3CC[C@H]2CO)C1 ZINC001208619996 803530343 /nfs/dbraw/zinc/53/03/43/803530343.db2.gz ZYOWFQBTCZGZAO-HIFRSBDPSA-N 2 2 278.400 0.792 20 0 CCADLP C[NH+]1CCC[C@@H](C[N@H+]2Cc3ccnn3CC[C@H]2CO)C1 ZINC001208619996 803530347 /nfs/dbraw/zinc/53/03/47/803530347.db2.gz ZYOWFQBTCZGZAO-HIFRSBDPSA-N 2 2 278.400 0.792 20 0 CCADLP COCC[N@@H+]1CCC[C@]2(C1)COCC[NH+](CCOC)C2 ZINC001209210102 803580477 /nfs/dbraw/zinc/58/04/77/803580477.db2.gz AIRQWPHIAGXBMW-OAHLLOKOSA-N 2 2 286.416 0.694 20 0 CCADLP COCC[N@H+]1CCC[C@]2(C1)COCC[NH+](CCOC)C2 ZINC001209210102 803580479 /nfs/dbraw/zinc/58/04/79/803580479.db2.gz AIRQWPHIAGXBMW-OAHLLOKOSA-N 2 2 286.416 0.694 20 0 CCADLP COCC[NH+]1CCC[C@]2(C1)COCC[N@H+](CCOC)C2 ZINC001209210102 803580480 /nfs/dbraw/zinc/58/04/80/803580480.db2.gz AIRQWPHIAGXBMW-OAHLLOKOSA-N 2 2 286.416 0.694 20 0 CCADLP COCC[NH+]1CCC[C@]2(C1)COCC[N@@H+](CCOC)C2 ZINC001209210102 803580483 /nfs/dbraw/zinc/58/04/83/803580483.db2.gz AIRQWPHIAGXBMW-OAHLLOKOSA-N 2 2 286.416 0.694 20 0 CCADLP F[C@H]1CN(CC[NH+]2CCOCC2)CC[C@@H]1[NH+]1CCCC1 ZINC001209296464 803590619 /nfs/dbraw/zinc/59/06/19/803590619.db2.gz RBWWBEYBYDLEOX-GJZGRUSLSA-N 2 2 285.407 0.827 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1C ZINC001209351051 803598896 /nfs/dbraw/zinc/59/88/96/803598896.db2.gz JVGZNPUFTDUHAR-YRGRVCCFSA-N 2 2 294.399 0.407 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1C ZINC001209351051 803598901 /nfs/dbraw/zinc/59/89/01/803598901.db2.gz JVGZNPUFTDUHAR-YRGRVCCFSA-N 2 2 294.399 0.407 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1C ZINC001209351051 803598905 /nfs/dbraw/zinc/59/89/05/803598905.db2.gz JVGZNPUFTDUHAR-YRGRVCCFSA-N 2 2 294.399 0.407 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1C ZINC001209351051 803598906 /nfs/dbraw/zinc/59/89/06/803598906.db2.gz JVGZNPUFTDUHAR-YRGRVCCFSA-N 2 2 294.399 0.407 20 0 CCADLP Cc1nc(N)ccc1C[NH+]1CC2(CCN2CC[NH+](C)C)C1 ZINC001276653282 803611174 /nfs/dbraw/zinc/61/11/74/803611174.db2.gz SBAMGCDTADTHGD-UHFFFAOYSA-N 2 2 289.427 0.794 20 0 CCADLP Nc1cc[nH+]cc1C[NH+]1CCC2(CCC(=O)N2)CC1 ZINC001209732880 803625286 /nfs/dbraw/zinc/62/52/86/803625286.db2.gz MJSFMCMLHMIYIL-UHFFFAOYSA-N 2 2 260.341 0.739 20 0 CCADLP Nc1cn[nH+]cc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210262765 803643877 /nfs/dbraw/zinc/64/38/77/803643877.db2.gz KUYQIMLZUABQHW-UHFFFAOYSA-N 3 2 271.328 0.607 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001216565451 803843793 /nfs/dbraw/zinc/84/37/93/803843793.db2.gz LHUHVIQJDSEXMR-JTNHKYCSSA-N 2 2 294.399 0.732 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OC[C@H]2CCC[NH2+]C2)C[N@@H+]1C ZINC001217887586 803923669 /nfs/dbraw/zinc/92/36/69/803923669.db2.gz HMQCVMGQJZHPRG-TUAOUCFPSA-N 2 2 256.346 0.248 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OC[C@H]2CCC[NH2+]C2)C[N@H+]1C ZINC001217887586 803923679 /nfs/dbraw/zinc/92/36/79/803923679.db2.gz HMQCVMGQJZHPRG-TUAOUCFPSA-N 2 2 256.346 0.248 20 0 CCADLP C[N@@H+]1CCC[C@H](C[NH2+]CC(C)(C)S(C)(=O)=O)C1 ZINC000093520450 814976855 /nfs/dbraw/zinc/97/68/55/814976855.db2.gz HKOBNKFUPDVSSR-LLVKDONJSA-N 2 2 262.419 0.741 20 0 CCADLP C[N@H+]1CCC[C@H](C[NH2+]CC(C)(C)S(C)(=O)=O)C1 ZINC000093520450 814976863 /nfs/dbraw/zinc/97/68/63/814976863.db2.gz HKOBNKFUPDVSSR-LLVKDONJSA-N 2 2 262.419 0.741 20 0 CCADLP NC(=O)[C@@H]([NH3+])Cc1ccc(O[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC001218012514 803929755 /nfs/dbraw/zinc/92/97/55/803929755.db2.gz QOKLDPAZHHKCLG-NWDGAFQWSA-N 2 2 299.321 0.418 20 0 CCADLP Cc1nc(Cl)cc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)n1 ZINC001218525662 803986473 /nfs/dbraw/zinc/98/64/73/803986473.db2.gz YDDQLLFWAPLFRE-QMMMGPOBSA-N 2 2 280.719 0.670 20 0 CCADLP CCn1cc(NC(=O)C[NH2+]C2CC[NH2+]CC2)cn1 ZINC001218544946 803998350 /nfs/dbraw/zinc/99/83/50/803998350.db2.gz PGVMDUXKUOIPKX-UHFFFAOYSA-N 2 2 251.334 0.183 20 0 CCADLP Cn1nc(NC(=O)[C@@H]([NH3+])CC[NH3+])c2ccc(Cl)nc21 ZINC001218571854 804015159 /nfs/dbraw/zinc/01/51/59/804015159.db2.gz BEULBMAYCZXYLY-ZETCQYMHSA-N 2 2 282.735 0.236 20 0 CCADLP COC(=O)c1cnc(NC(=O)[C@@H]([NH3+])CC[NH3+])c(Cl)c1 ZINC001218597081 804027907 /nfs/dbraw/zinc/02/79/07/804027907.db2.gz UWUXNHJADTYONI-QMMMGPOBSA-N 2 2 286.719 0.136 20 0 CCADLP Cn1nc(C(C)(C)C)cc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218604501 804030605 /nfs/dbraw/zinc/03/06/05/804030605.db2.gz AXDIICHNCYNOKV-IUCAKERBSA-N 2 2 265.361 0.203 20 0 CCADLP N[C@@]1(C(=O)Nc2cc[nH+]c3c2CCC3)CCC[NH2+]C1 ZINC001218622296 804038859 /nfs/dbraw/zinc/03/88/59/804038859.db2.gz ZKYXOPFHIXXQOK-AWEZNQCLSA-N 2 2 260.341 0.012 20 0 CCADLP CN(C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)c1nccnc1N ZINC001218623766 804040164 /nfs/dbraw/zinc/04/01/64/804040164.db2.gz RTVPTOMXTMKJKZ-NSHDSACASA-N 2 2 286.339 0.294 20 0 CCADLP Cc1ncc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)nc1C ZINC001218625107 804041659 /nfs/dbraw/zinc/04/16/59/804041659.db2.gz SXJGDWLNFHCLPV-JTQLQIEISA-N 2 2 260.301 0.325 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cn[nH]c(=O)c1Cl ZINC001218633096 804048292 /nfs/dbraw/zinc/04/82/92/804048292.db2.gz PNRCBMCOPQGJSJ-ZCFIWIBFSA-N 2 2 282.691 0.067 20 0 CCADLP [NH3+]C1(C(=O)Nc2cc(-c3ccccn3)no2)CC[NH2+]CC1 ZINC001218638756 804052981 /nfs/dbraw/zinc/05/29/81/804052981.db2.gz SOIDMPMXIMBBFR-UHFFFAOYSA-N 2 2 287.323 0.756 20 0 CCADLP [NH3+]C1(C(=O)Nc2cnccc2C2CC2)CC[NH2+]CC1 ZINC001218666184 804072506 /nfs/dbraw/zinc/07/25/06/804072506.db2.gz JUCXUCKZNJUEOB-UHFFFAOYSA-N 2 2 260.341 0.978 20 0 CCADLP Cc1cc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)c2cc[nH]c2n1 ZINC001218702056 804088451 /nfs/dbraw/zinc/08/84/51/804088451.db2.gz MJOURYRQYALTPG-HFAKWTLXSA-N 2 2 285.351 0.983 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1nc(Cl)cc2nc[nH]c21 ZINC001218745890 804107545 /nfs/dbraw/zinc/10/75/45/804107545.db2.gz QGUSSAKQZIEBQJ-YFKPBYRVSA-N 2 2 268.708 0.226 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccnc(OC(F)(F)F)c2)C1 ZINC001218752827 804111303 /nfs/dbraw/zinc/11/13/03/804111303.db2.gz ACGCLDCJNJLQRD-SVRRBLITSA-N 2 2 290.245 0.608 20 0 CCADLP COc1cc(NC(=O)C[NH2+]C2CC[NH2+]CC2)c(C)cn1 ZINC001218791319 804120642 /nfs/dbraw/zinc/12/06/42/804120642.db2.gz FZXPRXHXWRNRMQ-UHFFFAOYSA-N 2 2 278.356 0.679 20 0 CCADLP [NH3+][C@@H](C(=O)Nc1ccn2cc[nH+]c2c1)C1CC[NH2+]CC1 ZINC001218788798 804120667 /nfs/dbraw/zinc/12/06/67/804120667.db2.gz YZJSQIPRWMGNHG-CYBMUJFWSA-N 3 2 273.340 0.600 20 0 CCADLP COc1cc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)c(C)cn1 ZINC001218792305 804122192 /nfs/dbraw/zinc/12/21/92/804122192.db2.gz WZRDYQGNLVKKBU-SNVBAGLBSA-N 2 2 275.312 0.630 20 0 CCADLP CC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc1Cl ZINC001218872672 804144342 /nfs/dbraw/zinc/14/43/42/804144342.db2.gz BOKLDRGGYNBOJL-PELKAZGASA-N 2 2 296.758 0.926 20 0 CCADLP Cc1ccc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)cc1O ZINC001218897565 804151606 /nfs/dbraw/zinc/15/16/06/804151606.db2.gz MLAGZVREJRFJNJ-LLVKDONJSA-N 2 2 260.297 0.932 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc(C2=NCCO2)cc1 ZINC001218929139 804160495 /nfs/dbraw/zinc/16/04/95/804160495.db2.gz MYXOMFSYJAFGAP-NSHDSACASA-N 2 2 262.313 0.078 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1cccc2c1C[NH2+]C2 ZINC001218994766 804178786 /nfs/dbraw/zinc/17/87/86/804178786.db2.gz OQTCKPHYAGQLKO-UHFFFAOYSA-N 3 2 274.368 0.570 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccc2ncncc2c1 ZINC001219105761 804199808 /nfs/dbraw/zinc/19/98/08/804199808.db2.gz SUPLLENJLLIBIK-ZDUSSCGKSA-N 2 2 296.334 0.872 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc2c1COC2 ZINC001219109885 804205195 /nfs/dbraw/zinc/20/51/95/804205195.db2.gz GECYPFDTTHQIOS-GFCCVEGCSA-N 2 2 272.308 0.948 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc(N2CCC[C@H]([NH3+])C2)cc1 ZINC001219233329 804242999 /nfs/dbraw/zinc/24/29/99/804242999.db2.gz LZJRIOLQDSMJHC-FZMZJTMJSA-N 3 2 291.399 0.229 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cccc2c1C(=O)CCC2 ZINC001219255842 804250480 /nfs/dbraw/zinc/25/04/80/804250480.db2.gz MCYLNFXQJZQAOX-JTQLQIEISA-N 2 2 261.325 0.820 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)C(=O)N(C1CC1)C2 ZINC001219364175 804288048 /nfs/dbraw/zinc/28/80/48/804288048.db2.gz AXFJFTSNVIMWFS-ZDUSSCGKSA-N 2 2 288.351 0.419 20 0 CCADLP COc1c(O)cccc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001219516034 804333190 /nfs/dbraw/zinc/33/31/90/804333190.db2.gz CLGAQZPFPXWRLV-JTQLQIEISA-N 2 2 290.323 0.643 20 0 CCADLP COc1c(O)cccc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001219518773 804337224 /nfs/dbraw/zinc/33/72/24/804337224.db2.gz XQKBLOQBNFJDDR-APPZFPTMSA-N 2 2 251.286 0.029 20 0 CCADLP O=C(Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2)C1(F)C[NH2+]C1 ZINC001219538188 804341634 /nfs/dbraw/zinc/34/16/34/804341634.db2.gz WERHOSOONUATST-KWQFWETISA-N 2 2 277.299 0.384 20 0 CCADLP [NH3+][C@H](C(=O)NCCn1cc[nH+]c1)C1Cc2ccccc2C1 ZINC001219563619 804352150 /nfs/dbraw/zinc/35/21/50/804352150.db2.gz DIRQMXOFBKZIDH-HNNXBMFYSA-N 2 2 284.363 0.742 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCCc1c(F)cccc1Cl ZINC001219569596 804354208 /nfs/dbraw/zinc/35/42/08/804354208.db2.gz XYMGBYGEPMCBCR-CABZTGNLSA-N 2 2 285.750 0.685 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)CCc2ccc(N)[nH+]c2)C[NH2+]1 ZINC001219587277 804360840 /nfs/dbraw/zinc/36/08/40/804360840.db2.gz YELHZDYZMZJHMA-JQWIXIFHSA-N 2 2 262.357 0.853 20 0 CCADLP Cc1ccnc(CNC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)n1 ZINC001219600379 804368909 /nfs/dbraw/zinc/36/89/09/804368909.db2.gz ROIVTRXWMXXCCH-CYBMUJFWSA-N 2 2 285.351 0.674 20 0 CCADLP C[C@H]1CC[NH2+][C@@H](C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000313211450 804384060 /nfs/dbraw/zinc/38/40/60/804384060.db2.gz JQXKDIOYPCGRCQ-CMPLNLGQSA-N 2 2 250.346 0.467 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)[C@@H]([NH3+])Cc2cccc(O)c2)c1 ZINC001219634501 804384672 /nfs/dbraw/zinc/38/46/72/804384672.db2.gz YPZRWGQNEDEHGR-AWEZNQCLSA-N 2 2 288.351 0.354 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000313215464 804384762 /nfs/dbraw/zinc/38/47/62/804384762.db2.gz QEKCRMDBBGBTQG-NSHDSACASA-N 2 2 250.346 0.469 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H](CNC(=O)CN(C)c2cccc[nH+]2)C1 ZINC001219638945 804386002 /nfs/dbraw/zinc/38/60/02/804386002.db2.gz SEDUUNIIEMDXLW-QWHCGFSZSA-N 2 2 276.384 0.880 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2C[NH2+]CC(F)(F)C2)C1 ZINC001219642800 804388716 /nfs/dbraw/zinc/38/87/16/804388716.db2.gz XXUDJUVKGQUXNT-AXFHLTTASA-N 2 2 275.343 0.593 20 0 CCADLP C[C@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)c1nc2ccccc2[nH]1 ZINC001219701784 804409742 /nfs/dbraw/zinc/40/97/42/804409742.db2.gz QCOFOGFHMYGRQC-SBMIAAHKSA-N 2 2 273.340 0.429 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2cccc(C(F)F)c2)C1 ZINC001219741484 804415876 /nfs/dbraw/zinc/41/58/76/804415876.db2.gz LYWCQBFIXPYEKW-MNOVXSKESA-N 2 2 269.295 0.930 20 0 CCADLP C[C@H](F)CC[N@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001219774684 804421651 /nfs/dbraw/zinc/42/16/51/804421651.db2.gz YIXLNHBYOGFHEP-UHTWSYAYSA-N 2 2 298.362 0.252 20 0 CCADLP C[C@H](F)CC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001219774684 804421656 /nfs/dbraw/zinc/42/16/56/804421656.db2.gz YIXLNHBYOGFHEP-UHTWSYAYSA-N 2 2 298.362 0.252 20 0 CCADLP Nc1ccccc1CNC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001219925596 804449951 /nfs/dbraw/zinc/44/99/51/804449951.db2.gz PQCUGYANPVGAME-GFCCVEGCSA-N 2 2 259.313 0.178 20 0 CCADLP Cc1nonc1CNC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001219947496 804455003 /nfs/dbraw/zinc/45/50/03/804455003.db2.gz BGVMIKFRFHAXHL-NSHDSACASA-N 2 2 275.312 0.267 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCc1ccc2n[nH]cc2c1 ZINC001220025570 804476255 /nfs/dbraw/zinc/47/62/55/804476255.db2.gz RUAASTQOBOCSTG-ZDUSSCGKSA-N 2 2 298.350 0.483 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1(c2ccccn2)CC1 ZINC001220136769 804508172 /nfs/dbraw/zinc/50/81/72/804508172.db2.gz GOKFFCVPAYBCRC-NSHDSACASA-N 2 2 271.324 0.480 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NCC2(F)CCOCC2)cc1 ZINC001220136959 804510291 /nfs/dbraw/zinc/51/02/91/804510291.db2.gz MFZVHOKKMMXVFG-ZDUSSCGKSA-N 2 2 295.358 0.894 20 0 CCADLP COc1cccc2c1CC[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C2 ZINC001220214682 804538928 /nfs/dbraw/zinc/53/89/28/804538928.db2.gz DLAHNBFPOIMHKH-UBHSHLNASA-N 2 2 289.379 0.215 20 0 CCADLP CC1(C)C[C@H](NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CCO1 ZINC001220218994 804540275 /nfs/dbraw/zinc/54/02/75/804540275.db2.gz MLJIRKRDPOLMQL-BIAAXOCRSA-N 2 2 267.373 0.282 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC001220275462 804557954 /nfs/dbraw/zinc/55/79/54/804557954.db2.gz YUTZHQHLTHCADN-AWEZNQCLSA-N 2 2 288.351 0.846 20 0 CCADLP CCCCC(=O)[C@H](C)NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220370890 804584406 /nfs/dbraw/zinc/58/44/06/804584406.db2.gz HRCGPMIEUNNNSV-JTQLQIEISA-N 2 2 255.362 0.331 20 0 CCADLP CCCC[N@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001220520560 804618326 /nfs/dbraw/zinc/61/83/26/804618326.db2.gz WIVBMBVAWZXJPP-BNOWGMLFSA-N 2 2 294.399 0.550 20 0 CCADLP CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001220520560 804618328 /nfs/dbraw/zinc/61/83/28/804618328.db2.gz WIVBMBVAWZXJPP-BNOWGMLFSA-N 2 2 294.399 0.550 20 0 CCADLP CCCC[N@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001220520560 804618330 /nfs/dbraw/zinc/61/83/30/804618330.db2.gz WIVBMBVAWZXJPP-BNOWGMLFSA-N 2 2 294.399 0.550 20 0 CCADLP CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001220520560 804618332 /nfs/dbraw/zinc/61/83/32/804618332.db2.gz WIVBMBVAWZXJPP-BNOWGMLFSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)(O)CCCNC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220574987 804628403 /nfs/dbraw/zinc/62/84/03/804628403.db2.gz DSVRMAPBRDWPDA-CYBMUJFWSA-N 2 2 279.384 0.926 20 0 CCADLP CC[C@H](COC)NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220866362 804684526 /nfs/dbraw/zinc/68/45/26/804684526.db2.gz WGMJIDKIEZQGAI-CHWSQXEVSA-N 2 2 265.357 0.800 20 0 CCADLP C[N@@H+]1CCc2nc(C(=O)N[C@H]3CCC[NH2+]C3)sc2C1 ZINC001220896403 804695628 /nfs/dbraw/zinc/69/56/28/804695628.db2.gz LANLFQICZNYGMP-VIFPVBQESA-N 2 2 280.397 0.613 20 0 CCADLP C[N@H+]1CCc2nc(C(=O)N[C@H]3CCC[NH2+]C3)sc2C1 ZINC001220896403 804695632 /nfs/dbraw/zinc/69/56/32/804695632.db2.gz LANLFQICZNYGMP-VIFPVBQESA-N 2 2 280.397 0.613 20 0 CCADLP CC1(C)C[C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CCO1 ZINC001220952877 804706555 /nfs/dbraw/zinc/70/65/55/804706555.db2.gz GZYNDEGHLSFEIW-JMSVASOKSA-N 2 2 281.400 0.259 20 0 CCADLP [NH3+]C1(C(=O)N[C@@H]2COc3ccc(Cl)cc32)CC[NH2+]CC1 ZINC001220955877 804707852 /nfs/dbraw/zinc/70/78/52/804707852.db2.gz REKBUOMVBFKBDT-LLVKDONJSA-N 2 2 295.770 0.971 20 0 CCADLP COCC[N@H+](C)CCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001272158393 815033665 /nfs/dbraw/zinc/03/36/65/815033665.db2.gz IZWIRAJRXFYZLR-UHFFFAOYSA-N 2 2 268.361 0.297 20 0 CCADLP COCC[N@@H+](C)CCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001272158393 815033674 /nfs/dbraw/zinc/03/36/74/815033674.db2.gz IZWIRAJRXFYZLR-UHFFFAOYSA-N 2 2 268.361 0.297 20 0 CCADLP Cc1cccc(C(C)(C)CNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])n1 ZINC001220996784 804715620 /nfs/dbraw/zinc/71/56/20/804715620.db2.gz KCXREJHBMLFFQU-RYUDHWBXSA-N 2 2 276.384 0.331 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H](c1cncc(F)c1)C1CC1 ZINC001221048955 804723868 /nfs/dbraw/zinc/72/38/68/804723868.db2.gz IZWYIMAWIOXEBE-AVGNSLFASA-N 2 2 278.331 0.335 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC001221162393 804737154 /nfs/dbraw/zinc/73/71/54/804737154.db2.gz UUGAXODBOQWFGT-UTLUCORTSA-N 2 2 261.316 0.475 20 0 CCADLP CC(C)(CNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)CC1CC1 ZINC001221166484 804739733 /nfs/dbraw/zinc/73/97/33/804739733.db2.gz IBRFOKKVSWZEKM-DOMZBBRYSA-N 2 2 265.401 0.880 20 0 CCADLP Cc1cccc([C@@H](CO)NC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)c1 ZINC001221192478 804744190 /nfs/dbraw/zinc/74/41/90/804744190.db2.gz UHZJSHWDRMQUMC-SQWLQELKSA-N 2 2 289.379 0.096 20 0 CCADLP C[C@@]1([NH3+])C[C@H](NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)C1 ZINC001221241492 804754020 /nfs/dbraw/zinc/75/40/20/804754020.db2.gz WJDFXMZORGPYCN-BZPMIXESSA-N 3 2 262.357 0.255 20 0 CCADLP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NCCOc1cc[nH+]cc1 ZINC001221394011 804798712 /nfs/dbraw/zinc/79/87/12/804798712.db2.gz UJTNEUZUHDHNBP-AWEZNQCLSA-N 3 2 294.399 0.636 20 0 CCADLP COC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001221408923 804809425 /nfs/dbraw/zinc/80/94/25/804809425.db2.gz SFDRCWIUNOUKLI-WOPDTQHZSA-N 2 2 285.388 0.112 20 0 CCADLP COC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001221408923 804809430 /nfs/dbraw/zinc/80/94/30/804809430.db2.gz SFDRCWIUNOUKLI-WOPDTQHZSA-N 2 2 285.388 0.112 20 0 CCADLP Fc1cnccc1CN1CC[NH2+]C2(CC[NH2+]CC2)C1 ZINC001222085871 804864276 /nfs/dbraw/zinc/86/42/76/804864276.db2.gz NYUJSHHQHUIQDT-UHFFFAOYSA-N 2 2 264.348 0.748 20 0 CCADLP Oc1ccc(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001222492332 804906833 /nfs/dbraw/zinc/90/68/33/804906833.db2.gz SICXVKOQTXEFRE-GJZGRUSLSA-N 2 2 261.369 0.918 20 0 CCADLP Oc1ccc(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001222492332 804906838 /nfs/dbraw/zinc/90/68/38/804906838.db2.gz SICXVKOQTXEFRE-GJZGRUSLSA-N 2 2 261.369 0.918 20 0 CCADLP c1cn2c([nH+]1)CC[C@@H](OCCC[NH+]1CCOCC1)C2 ZINC001224868289 805085306 /nfs/dbraw/zinc/08/53/06/805085306.db2.gz RETOKMCJFQJSEN-CYBMUJFWSA-N 2 2 265.357 0.937 20 0 CCADLP C[C@@H](O)C[NH+]1CCC(NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001229385277 805529337 /nfs/dbraw/zinc/52/93/37/805529337.db2.gz QJCUEGYEWHTDMX-CHWSQXEVSA-N 2 2 294.399 0.796 20 0 CCADLP C[C@@H](O)C[NH+]1CCC(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001229558919 805542410 /nfs/dbraw/zinc/54/24/10/805542410.db2.gz KOCQROYXIRRMTG-NWDGAFQWSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@@H](O)C[NH+]1CCC(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001229558919 805542416 /nfs/dbraw/zinc/54/24/16/805542416.db2.gz KOCQROYXIRRMTG-NWDGAFQWSA-N 2 2 294.399 0.550 20 0 CCADLP O=C1CC(C2CC[NH2+]CC2)=NN1C1CC[NH2+]CC1 ZINC001245918599 807100634 /nfs/dbraw/zinc/10/06/34/807100634.db2.gz YQDPKNLCWDRKTG-UHFFFAOYSA-N 2 2 250.346 0.980 20 0 CCADLP O[C@H](C[NH2+][C@H]1CCC[NH2+]C1)COc1ccc(F)cc1 ZINC001245985034 807106759 /nfs/dbraw/zinc/10/67/59/807106759.db2.gz ZKBPJUJQHAMCRQ-QWHCGFSZSA-N 2 2 268.332 0.907 20 0 CCADLP CCCCC[C@H](O)C[NH2+][C@@H](CCC[NH3+])C(=O)OC ZINC001246009588 807114838 /nfs/dbraw/zinc/11/48/38/807114838.db2.gz VARGUNHSKYNLFN-RYUDHWBXSA-N 2 2 260.378 0.798 20 0 CCADLP C[C@]1([NH3+])CC[N@H+](C[C@@H](O)COCC(F)(F)C(F)F)C1 ZINC001246013716 807115820 /nfs/dbraw/zinc/11/58/20/807115820.db2.gz IRDXRQDYRYQWAL-SCZZXKLOSA-N 2 2 288.285 0.687 20 0 CCADLP C[C@]1([NH3+])CC[N@@H+](C[C@@H](O)COCC(F)(F)C(F)F)C1 ZINC001246013716 807115827 /nfs/dbraw/zinc/11/58/27/807115827.db2.gz IRDXRQDYRYQWAL-SCZZXKLOSA-N 2 2 288.285 0.687 20 0 CCADLP CCCOC[C@@H](O)C[N@H+](CCCOC)[C@@H]1CCC[NH2+]C1 ZINC001246047814 807134106 /nfs/dbraw/zinc/13/41/06/807134106.db2.gz XJUBMDBCQPKDAI-CABCVRRESA-N 2 2 288.432 0.864 20 0 CCADLP CCCOC[C@@H](O)C[N@@H+](CCCOC)[C@@H]1CCC[NH2+]C1 ZINC001246047814 807134111 /nfs/dbraw/zinc/13/41/11/807134111.db2.gz XJUBMDBCQPKDAI-CABCVRRESA-N 2 2 288.432 0.864 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)CN1 ZINC001246085390 807148227 /nfs/dbraw/zinc/14/82/27/807148227.db2.gz QOZVDGZVLQOZSA-BJDJZHNGSA-N 2 2 255.362 0.010 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H](N[C@@H]2CCCC[NH2+]C2)C[NH2+]1 ZINC001246088986 807150302 /nfs/dbraw/zinc/15/03/02/807150302.db2.gz AOKIZLPLVNURLA-MBNYWOFBSA-N 2 2 269.389 0.402 20 0 CCADLP C[NH2+]C1CCC([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001246146837 807167311 /nfs/dbraw/zinc/16/73/11/807167311.db2.gz OFUPHOVMHCJKMJ-NRXISQOPSA-N 4 2 280.460 0.981 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCC[NH2+]2)CN1 ZINC001246175898 807176414 /nfs/dbraw/zinc/17/64/14/807176414.db2.gz GWWSPFJQPXPKPJ-TUAOUCFPSA-N 2 2 255.362 0.012 20 0 CCADLP CN(C)C1(C[NH2+][C@@H]2CCC[NH2+]C2)CC[NH+](C)CC1 ZINC001246182320 807179251 /nfs/dbraw/zinc/17/92/51/807179251.db2.gz ZMIJJFQGJTXGCW-CYBMUJFWSA-N 3 2 254.422 0.354 20 0 CCADLP COCCn1c[nH+]cc1CN[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246240963 807197234 /nfs/dbraw/zinc/19/72/34/807197234.db2.gz SZUFSLLGRIUCJL-RYUDHWBXSA-N 2 2 252.362 0.760 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+]C2CCN(C3COC3)CC2)C[NH2+]1 ZINC001246265455 807201050 /nfs/dbraw/zinc/20/10/50/807201050.db2.gz YLDMFOXZALWGSF-YPMHNXCESA-N 2 2 253.390 0.580 20 0 CCADLP C[C@@H]1CC[C@H](NC2CC[NH+](C3COC3)CC2)C[NH2+]1 ZINC001246265455 807201054 /nfs/dbraw/zinc/20/10/54/807201054.db2.gz YLDMFOXZALWGSF-YPMHNXCESA-N 2 2 253.390 0.580 20 0 CCADLP COC(=O)[C@@H]1C[C@H](NC[C@@H]2Cc3ccccc3C[NH2+]2)C[NH2+]1 ZINC001246283522 807207407 /nfs/dbraw/zinc/20/74/07/807207407.db2.gz WQVQFYAXCZJWES-KKUMJFAQSA-N 2 2 289.379 0.194 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@@H]1[NH2+][C@H]1CCc2cc(F)c(F)cc2C1 ZINC001246312534 807218131 /nfs/dbraw/zinc/21/81/31/807218131.db2.gz XZLOGHZDMKIOJN-HUBLWGQQSA-N 2 2 282.334 0.992 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N2c3ccccc3OC[C@H]2C[NH3+])C[NH2+]1 ZINC001246318926 807220104 /nfs/dbraw/zinc/22/01/04/807220104.db2.gz UKLIPXJMHUNLMO-TUAOUCFPSA-N 2 2 291.351 0.116 20 0 CCADLP CCC[C@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(=O)OC ZINC001246321985 807221112 /nfs/dbraw/zinc/22/11/12/807221112.db2.gz FMVJRJVRHOAKMO-MNOVXSKESA-N 2 2 255.362 0.012 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N2C[C@H](C[NH3+])c3ccccc32)C[NH2+]1 ZINC001246322117 807221176 /nfs/dbraw/zinc/22/11/76/807221176.db2.gz FKMRPPOPEABWCH-LOWVWBTDSA-N 2 2 275.352 0.452 20 0 CCADLP NC(=O)c1ccc(OCC[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC001246327102 807222474 /nfs/dbraw/zinc/22/24/74/807222474.db2.gz IBJLZZXODOVFPS-LBPRGKRZSA-N 2 2 263.341 0.506 20 0 CCADLP CN(C)C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC001246325598 807222764 /nfs/dbraw/zinc/22/27/64/807222764.db2.gz CBXKDIRFHSWVGM-VXGBXAGGSA-N 2 2 254.378 0.474 20 0 CCADLP Cc1cc(N2CC[C@@H]([NH2+][C@H]3CCC[NH2+]C3)C2)ncn1 ZINC001246371026 807237418 /nfs/dbraw/zinc/23/74/18/807237418.db2.gz UKUIHUJBSFOQBU-QWHCGFSZSA-N 2 2 261.373 0.705 20 0 CCADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCN(c3ccncn3)C2)C[NH2+]1 ZINC001246370890 807237471 /nfs/dbraw/zinc/23/74/71/807237471.db2.gz SXIYDNVDYJSIHZ-JHJVBQTASA-N 2 2 261.373 0.785 20 0 CCADLP COC(=O)CC[C@@H](C)[NH2+][C@@H](CCC[NH3+])C(=O)OC ZINC001246401403 807243329 /nfs/dbraw/zinc/24/33/29/807243329.db2.gz KXNKMFMNVSWJFR-ZJUUUORDSA-N 2 2 260.334 0.198 20 0 CCADLP COC(=O)[C@H](CCC[NH3+])[NH2+][C@H]1CCN[C@H](C(F)(F)F)C1 ZINC001246402531 807243622 /nfs/dbraw/zinc/24/36/22/807243622.db2.gz XCWLJYYDZCXMPV-GUBZILKMSA-N 2 2 297.321 0.539 20 0 CCADLP CCOC(=O)[C@H](N)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC001246417063 807248326 /nfs/dbraw/zinc/24/83/26/807248326.db2.gz MTMRGYDVTHOFIA-GFCCVEGCSA-N 2 2 271.405 0.729 20 0 CCADLP C[C@H]1C[C@H]([NH2+][C@@H](CC(=O)OC(C)(C)C)C(N)=O)CC[NH2+]1 ZINC001246441370 807251070 /nfs/dbraw/zinc/25/10/70/807251070.db2.gz CSAGMMUBXBLQPW-AXFHLTTASA-N 2 2 285.388 0.302 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@@H]2CC23C[NH2+]C3)C[NH2+]1 ZINC001246446399 807252306 /nfs/dbraw/zinc/25/23/06/807252306.db2.gz SJCAOGPAIRGRMI-GARJFASQSA-N 2 2 267.373 0.010 20 0 CCADLP [NH3+]CCC[NH2+]CCC[NH2+]C1CCC2(CC1)C[NH2+]CCO2 ZINC001246456572 807254819 /nfs/dbraw/zinc/25/48/19/807254819.db2.gz JJIHWTRIMLBZII-UHFFFAOYSA-N 4 2 284.448 0.206 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H](O)[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC001246494148 807264598 /nfs/dbraw/zinc/26/45/98/807264598.db2.gz FGEGPVKGDVGUDN-NDBYEHHHSA-N 2 2 270.373 0.421 20 0 CCADLP CCOC(=O)[C@@H]([NH3+])Cc1cn([C@H]2CC[C@@H](C)[NH2+]C2)cn1 ZINC001246515071 807270742 /nfs/dbraw/zinc/27/07/42/807270742.db2.gz CGZLIWBMRFBYLV-WXHSDQCUSA-N 2 2 280.372 0.629 20 0 CCADLP CC[C@@H]1C[C@H]([N@@H+]2CCCC[C@](O)(C[NH3+])C2)CC[NH2+]1 ZINC001246561621 807289639 /nfs/dbraw/zinc/28/96/39/807289639.db2.gz RIBXPCQHAVKXED-MCIONIFRSA-N 3 2 255.406 0.693 20 0 CCADLP CC[C@@H]1C[C@H]([N@H+]2CCCC[C@](O)(C[NH3+])C2)CC[NH2+]1 ZINC001246561621 807289645 /nfs/dbraw/zinc/28/96/45/807289645.db2.gz RIBXPCQHAVKXED-MCIONIFRSA-N 3 2 255.406 0.693 20 0 CCADLP [NH3+][C@H]1CN(C2C[C@@H]3COC[C@H](C2)[NH2+]3)CCC1(F)F ZINC001246582870 807303345 /nfs/dbraw/zinc/30/33/45/807303345.db2.gz OJBBRZAOHPXMRA-IXMYILBSSA-N 2 2 261.316 0.174 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N(C(C)C)[C@H]2CCC[NH2+]CC2)C[NH2+]1 ZINC001246596844 807316433 /nfs/dbraw/zinc/31/64/33/807316433.db2.gz VRXMEJNEKZKJSG-IHRRRGAJSA-N 2 2 283.416 0.742 20 0 CCADLP C[C@@H]1CC[C@@H]([N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)C[NH2+]1 ZINC001246630685 807335148 /nfs/dbraw/zinc/33/51/48/807335148.db2.gz KQSKAGMXBGUEEC-AAVRWANBSA-N 3 2 253.390 0.437 20 0 CCADLP C[C@@H]1CC[C@@H]([N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)C[NH2+]1 ZINC001246630685 807335157 /nfs/dbraw/zinc/33/51/57/807335157.db2.gz KQSKAGMXBGUEEC-AAVRWANBSA-N 3 2 253.390 0.437 20 0 CCADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246643844 807341965 /nfs/dbraw/zinc/34/19/65/807341965.db2.gz QCISGRMXZUCAOV-QKPAOTATSA-N 3 2 278.444 0.639 20 0 CCADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246643844 807341970 /nfs/dbraw/zinc/34/19/70/807341970.db2.gz QCISGRMXZUCAOV-QKPAOTATSA-N 3 2 278.444 0.639 20 0 CCADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCN[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246643844 807341974 /nfs/dbraw/zinc/34/19/74/807341974.db2.gz QCISGRMXZUCAOV-QKPAOTATSA-N 3 2 278.444 0.639 20 0 CCADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCN[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246643844 807341983 /nfs/dbraw/zinc/34/19/83/807341983.db2.gz QCISGRMXZUCAOV-QKPAOTATSA-N 3 2 278.444 0.639 20 0 CCADLP C[NH2+]Cc1ccc(N[C@@H]2C[NH2+][C@H](C(=O)OC)C2)cc1 ZINC001246777113 807375129 /nfs/dbraw/zinc/37/51/29/807375129.db2.gz JRASASGOOVCPSD-STQMWFEESA-N 2 2 263.341 0.721 20 0 CCADLP C[C@H]1CC[C@@H]([NH+]2CCC(C(=O)N3CCOCC3)CC2)C[NH2+]1 ZINC001246782255 807377448 /nfs/dbraw/zinc/37/74/48/807377448.db2.gz RESRQYNWCVELDJ-DZGCQCFKSA-N 2 2 295.427 0.698 20 0 CCADLP CCCC[NH+]1CCN([C@@H]2C[NH2+][C@H](C(=O)OC)C2)CC1 ZINC001246789547 807381509 /nfs/dbraw/zinc/38/15/09/807381509.db2.gz LECVPLFZXDXDIQ-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H]1CC[C@H](N2CC[NH+](C3CC[NH2+]CC3)CC2)C[NH2+]1 ZINC001246795580 807384412 /nfs/dbraw/zinc/38/44/12/807384412.db2.gz MXGNKDPRRZGDBJ-HIFRSBDPSA-N 3 2 266.433 0.497 20 0 CCADLP CC[NH+]1CCC([N@H+](C)[C@@H]2CC[C@@H](C(=O)OC)NC2)CC1 ZINC001246808839 807392321 /nfs/dbraw/zinc/39/23/21/807392321.db2.gz UCZJJNZCEHBAGZ-KGLIPLIRSA-N 2 2 283.416 0.696 20 0 CCADLP CC[NH+]1CCC([N@@H+](C)[C@@H]2CC[C@@H](C(=O)OC)NC2)CC1 ZINC001246808839 807392331 /nfs/dbraw/zinc/39/23/31/807392331.db2.gz UCZJJNZCEHBAGZ-KGLIPLIRSA-N 2 2 283.416 0.696 20 0 CCADLP [NH3+][C@@]12C[C@@H]1C[N@@H+](C1CCC([NH+]3CCOCC3)CC1)C2 ZINC001246868058 807415299 /nfs/dbraw/zinc/41/52/99/807415299.db2.gz JSGSWWWBOMPANH-XSCHDIRWSA-N 3 2 265.401 0.663 20 0 CCADLP [NH3+][C@@]12C[C@@H]1C[N@H+](C1CCC([NH+]3CCOCC3)CC1)C2 ZINC001246868058 807415303 /nfs/dbraw/zinc/41/53/03/807415303.db2.gz JSGSWWWBOMPANH-XSCHDIRWSA-N 3 2 265.401 0.663 20 0 CCADLP COC(=O)[C@H]1C[N@H+](C2CCC(OC)CC2)C[C@H]1[NH3+] ZINC001246932690 807434540 /nfs/dbraw/zinc/43/45/40/807434540.db2.gz QNPWNDGWTQHYOC-MMVSWEMESA-N 2 2 256.346 0.376 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](C2CCC(OC)CC2)C[C@H]1[NH3+] ZINC001246932690 807434543 /nfs/dbraw/zinc/43/45/43/807434543.db2.gz QNPWNDGWTQHYOC-MMVSWEMESA-N 2 2 256.346 0.376 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C2CCC(OC)CC2)C[C@H]1[NH3+] ZINC001246932687 807434630 /nfs/dbraw/zinc/43/46/30/807434630.db2.gz QNPWNDGWTQHYOC-KIDURHIOSA-N 2 2 256.346 0.376 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C2CCC(OC)CC2)C[C@H]1[NH3+] ZINC001246932687 807434634 /nfs/dbraw/zinc/43/46/34/807434634.db2.gz QNPWNDGWTQHYOC-KIDURHIOSA-N 2 2 256.346 0.376 20 0 CCADLP C[C@@H]1CC[C@H]([NH+]2CCC3(CCC(=O)N3)CC2)C[NH2+]1 ZINC001246970165 807442904 /nfs/dbraw/zinc/44/29/04/807442904.db2.gz XTOSWGALWHHMJO-NEPJUHHUSA-N 2 2 251.374 0.872 20 0 CCADLP N[C@@H](C[NH3+])c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001247684078 807477911 /nfs/dbraw/zinc/47/79/11/807477911.db2.gz KAMUMXNQQDPLSW-JTQLQIEISA-N 2 2 270.296 0.881 20 0 CCADLP C[NH+](C)CCNC(=S)Nc1cc[nH+]c2c1CCC2 ZINC001249829348 807570302 /nfs/dbraw/zinc/57/03/02/807570302.db2.gz CIVIAIZEUHIVJE-UHFFFAOYSA-N 2 2 264.398 0.840 20 0 CCADLP COC(=O)[C@H](O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001252425283 807836541 /nfs/dbraw/zinc/83/65/41/807836541.db2.gz JHSONFLCBGQVAM-VXGBXAGGSA-N 2 2 280.324 0.377 20 0 CCADLP COC(=O)[C@H](O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001252425283 807836550 /nfs/dbraw/zinc/83/65/50/807836550.db2.gz JHSONFLCBGQVAM-VXGBXAGGSA-N 2 2 280.324 0.377 20 0 CCADLP O=C1C[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CN1 ZINC001252948270 807987396 /nfs/dbraw/zinc/98/73/96/807987396.db2.gz LSUIKTJPZJASQA-HOCLYGCPSA-N 2 2 289.379 0.102 20 0 CCADLP O=C1C[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CN1 ZINC001252948270 807987401 /nfs/dbraw/zinc/98/74/01/807987401.db2.gz LSUIKTJPZJASQA-HOCLYGCPSA-N 2 2 289.379 0.102 20 0 CCADLP C[C@@](O)(C[NH2+][C@@H](Cc1c[nH+]c[nH]1)C(N)=O)c1ccccc1 ZINC001253127089 808008380 /nfs/dbraw/zinc/00/83/80/808008380.db2.gz MCZYEFHZPGAQFZ-DZGCQCFKSA-N 2 2 288.351 0.303 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@@H](CC(=O)OC)C1 ZINC001253191609 808025344 /nfs/dbraw/zinc/02/53/44/808025344.db2.gz AZHBSLKOJBWKLX-KBPBESRZSA-N 2 2 286.416 0.964 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@@H](CC(=O)OC)C1 ZINC001253191609 808025351 /nfs/dbraw/zinc/02/53/51/808025351.db2.gz AZHBSLKOJBWKLX-KBPBESRZSA-N 2 2 286.416 0.964 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC001253201944 808028860 /nfs/dbraw/zinc/02/88/60/808028860.db2.gz BXYFJMDQHQTBJD-CWRNSKLLSA-N 2 2 278.396 0.937 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH+]1CCC(N2CCCC2=O)CC1 ZINC001253393973 808055021 /nfs/dbraw/zinc/05/50/21/808055021.db2.gz AKUXIPRLPSZDTF-CQSZACIVSA-N 2 2 297.443 0.822 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)CN1CCn2c[nH+]cc2C1 ZINC001253394042 808055389 /nfs/dbraw/zinc/05/53/89/808055389.db2.gz DEDIQCSALFKXPY-GFCCVEGCSA-N 2 2 252.362 0.448 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001253395026 808055993 /nfs/dbraw/zinc/05/59/93/808055993.db2.gz YCWOKVVWETZJLK-GRYCIOLGSA-N 2 2 292.370 0.949 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001253395026 808055999 /nfs/dbraw/zinc/05/59/99/808055999.db2.gz YCWOKVVWETZJLK-GRYCIOLGSA-N 2 2 292.370 0.949 20 0 CCADLP CCN(CC)C(=O)[C@H](C)[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253404541 808058833 /nfs/dbraw/zinc/05/88/33/808058833.db2.gz YTLFOCRAPCSPPR-RYUDHWBXSA-N 2 2 273.421 0.582 20 0 CCADLP Cc1c[nH]c(CC[NH2+]C[C@H](O)C(=O)OC(C)(C)C)[nH+]1 ZINC001253700493 808121068 /nfs/dbraw/zinc/12/10/68/808121068.db2.gz UJYJQRZRURQNDL-JTQLQIEISA-N 2 2 269.345 0.553 20 0 CCADLP COc1cccc(OC[C@@H](O)C[NH2+]CCc2[nH]cc[nH+]2)c1 ZINC001253972354 808165349 /nfs/dbraw/zinc/16/53/49/808165349.db2.gz MSOASDLVWGWPHQ-LBPRGKRZSA-N 2 2 291.351 0.990 20 0 CCADLP C[NH+](C)Cc1cn(C[C@H]2C[C@@]3(CO2)CCC[NH2+]C3)nn1 ZINC001254069893 808177143 /nfs/dbraw/zinc/17/71/43/808177143.db2.gz XQYPWCMOEBABEP-KGLIPLIRSA-N 2 2 279.388 0.498 20 0 CCADLP CC(C)(C)OC(=O)N1C[C@H]([NH3+])[C@@H]([NH2+][C@H]2CCCOC2)C1 ZINC001254372828 808224990 /nfs/dbraw/zinc/22/49/90/808224990.db2.gz OEHISBGCLIHSKN-SRVKXCTJSA-N 2 2 285.388 0.702 20 0 CCADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2C[C@@H](S(C)(=O)=O)C2)CC1 ZINC001254502057 808247172 /nfs/dbraw/zinc/24/71/72/808247172.db2.gz BMEGOFUTSTXYGD-SDDRHHMPSA-N 2 2 260.403 0.636 20 0 CCADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2C[C@@H](S(C)(=O)=O)C2)CC1 ZINC001254502057 808247176 /nfs/dbraw/zinc/24/71/76/808247176.db2.gz BMEGOFUTSTXYGD-SDDRHHMPSA-N 2 2 260.403 0.636 20 0 CCADLP C[NH+]1CC(C(=O)N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)C1 ZINC001142595753 815189048 /nfs/dbraw/zinc/18/90/48/815189048.db2.gz MPWWCBNTXIRUPH-LBPRGKRZSA-N 2 2 287.354 0.880 20 0 CCADLP C[C@H](CC(=O)N(C)C[C@H](O)C[NH2+]CCF)n1cc[nH+]c1 ZINC001278810250 808279217 /nfs/dbraw/zinc/27/92/17/808279217.db2.gz LDXRCGWTPKWMKP-VXGBXAGGSA-N 2 2 286.351 0.213 20 0 CCADLP COC(=O)[C@H]1[C@@H]2C[N@H+]([C@H]3CC4CC[NH+](CC4)C3)C[C@@H]21 ZINC001254861687 808291028 /nfs/dbraw/zinc/29/10/28/808291028.db2.gz UWEABGZNBWVYFG-IGQOVBAYSA-N 2 2 264.369 0.822 20 0 CCADLP COC(=O)[C@H]1[C@@H]2C[N@@H+]([C@H]3CC4CC[NH+](CC4)C3)C[C@@H]21 ZINC001254861687 808291033 /nfs/dbraw/zinc/29/10/33/808291033.db2.gz UWEABGZNBWVYFG-IGQOVBAYSA-N 2 2 264.369 0.822 20 0 CCADLP COC(=O)[C@@H](C[NH3+])C[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC001255101449 808317623 /nfs/dbraw/zinc/31/76/23/808317623.db2.gz RTESBHFODGHRAT-LSDHHAIUSA-N 2 2 291.395 0.598 20 0 CCADLP [NH3+]C[C@H](O)C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255383080 808352629 /nfs/dbraw/zinc/35/26/29/808352629.db2.gz ZOVQTALIGIKQBK-HOTGVXAUSA-N 3 2 277.412 0.950 20 0 CCADLP [NH3+]C[C@H](O)C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255383080 808352636 /nfs/dbraw/zinc/35/26/36/808352636.db2.gz ZOVQTALIGIKQBK-HOTGVXAUSA-N 3 2 277.412 0.950 20 0 CCADLP C[NH+]1CCC(CO)([NH2+][C@@H]2CCOC(C)(C)C2)CC1 ZINC001255535443 808398008 /nfs/dbraw/zinc/39/80/08/808398008.db2.gz MZNPSUMZUJJHCW-GFCCVEGCSA-N 2 2 256.390 0.990 20 0 CCADLP C[NH+]1CCC([NH2+]CC2CC[NH+](C3COC3)CC2)CC1 ZINC001256202151 808478021 /nfs/dbraw/zinc/47/80/21/808478021.db2.gz ZGZBQEDZXMYHCE-UHFFFAOYSA-N 3 2 267.417 0.781 20 0 CCADLP C[NH+]1CCC([NH+]2CCC3(C[C@@H](O)CO3)CC2)CC1 ZINC001256202460 808478326 /nfs/dbraw/zinc/47/83/26/808478326.db2.gz FCCLKKAPJRWTFR-CYBMUJFWSA-N 2 2 254.374 0.696 20 0 CCADLP Cc1[nH+]cn([C@H](C)CC(=O)N2CCOCC2)c1CC[NH3+] ZINC001256320561 808492440 /nfs/dbraw/zinc/49/24/40/808492440.db2.gz QTSXSHNITZGOIZ-LLVKDONJSA-N 2 2 280.372 0.503 20 0 CCADLP COC(=O)CCC(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256614661 808540902 /nfs/dbraw/zinc/54/09/02/808540902.db2.gz GHUFQMLPOXLJQP-YOGCLGLASA-N 2 2 268.357 0.724 20 0 CCADLP COC(=O)CCC(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256614661 808540910 /nfs/dbraw/zinc/54/09/10/808540910.db2.gz GHUFQMLPOXLJQP-YOGCLGLASA-N 2 2 268.357 0.724 20 0 CCADLP [NH3+][C@@H]1COC[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001256850308 808563778 /nfs/dbraw/zinc/56/37/78/808563778.db2.gz XAOQGWFLHZJHKB-ZIAGYGMSSA-N 3 2 262.357 0.366 20 0 CCADLP CC(C)[NH+]1CCC([NH2+]CCC[N@H+](C)CCO)CC1 ZINC001257214135 808598489 /nfs/dbraw/zinc/59/84/89/808598489.db2.gz YDGLQOIQISBORE-UHFFFAOYSA-N 3 2 257.422 0.763 20 0 CCADLP CC(C)[NH+]1CCC([NH2+]CCC[N@@H+](C)CCO)CC1 ZINC001257214135 808598493 /nfs/dbraw/zinc/59/84/93/808598493.db2.gz YDGLQOIQISBORE-UHFFFAOYSA-N 3 2 257.422 0.763 20 0 CCADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCCc1cn(C)c[nH+]1 ZINC001262095378 809189256 /nfs/dbraw/zinc/18/92/56/809189256.db2.gz SIWOSCVBFITPMW-UWVGGRQHSA-N 2 2 251.334 0.094 20 0 CCADLP COC[C@H]([NH3+])c1nc([C@@H]2C[NH+]3CCC2CC3)no1 ZINC001262487991 809318676 /nfs/dbraw/zinc/31/86/76/809318676.db2.gz MMSVEPLOGJAAHO-ZJUUUORDSA-N 2 2 252.318 0.525 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC001262553710 809339805 /nfs/dbraw/zinc/33/98/05/809339805.db2.gz IMUBODAJSUFFRX-IJLUTSLNSA-N 2 2 262.357 0.639 20 0 CCADLP O=C(NCCCCn1cc[nH+]c1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001263096806 809441233 /nfs/dbraw/zinc/44/12/33/809441233.db2.gz CFEYSWJUSHJJLE-HIFRSBDPSA-N 2 2 292.383 0.406 20 0 CCADLP O=C(N1CCC(c2[nH]cc[nH+]2)CC1)C12CC(C1)C[NH2+]2 ZINC001263098062 809441667 /nfs/dbraw/zinc/44/16/67/809441667.db2.gz QVTUBMXYWXYULZ-UHFFFAOYSA-N 2 2 260.341 0.868 20 0 CCADLP [NH3+][C@@H](CC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)C(F)F ZINC001263108046 809448620 /nfs/dbraw/zinc/44/86/20/809448620.db2.gz MUFOLXOHNCOHMJ-CABZTGNLSA-N 2 2 261.316 0.571 20 0 CCADLP Cc1cc(CNC(=O)[C@@H]2C[NH2+]CCN2C)cc(C)[nH+]1 ZINC001263131536 809455080 /nfs/dbraw/zinc/45/50/80/809455080.db2.gz WYQKYGBDSGHMSV-ZDUSSCGKSA-N 2 2 262.357 0.218 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]([NH3+])C1CCC1 ZINC001263198697 809478903 /nfs/dbraw/zinc/47/89/03/809478903.db2.gz HNPOBQRXMQSBAS-STQMWFEESA-N 2 2 269.389 0.341 20 0 CCADLP [NH3+][C@H]1C[C@@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001263320805 809509968 /nfs/dbraw/zinc/50/99/68/809509968.db2.gz MBELTCOSGBGGEH-LOWVWBTDSA-N 2 2 267.373 0.236 20 0 CCADLP [NH3+][C@H]1C[C@@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001263320805 809509971 /nfs/dbraw/zinc/50/99/71/809509971.db2.gz MBELTCOSGBGGEH-LOWVWBTDSA-N 2 2 267.373 0.236 20 0 CCADLP CCOC(=O)[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](CC)CC)C1 ZINC000380964263 809531753 /nfs/dbraw/zinc/53/17/53/809531753.db2.gz QSDWWNSRWIPKHD-ZIAGYGMSSA-N 2 2 286.416 0.964 20 0 CCADLP CCOC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](CC)CC)C1 ZINC000380964263 809531758 /nfs/dbraw/zinc/53/17/58/809531758.db2.gz QSDWWNSRWIPKHD-ZIAGYGMSSA-N 2 2 286.416 0.964 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1C[C@@H]([NH2+]CCCO)C1 ZINC001263850246 809587873 /nfs/dbraw/zinc/58/78/73/809587873.db2.gz JMKQQDNTJNVNCQ-BETUJISGSA-N 2 2 294.399 0.220 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC001263866148 809593834 /nfs/dbraw/zinc/59/38/34/809593834.db2.gz FKBCIMYVORKGCQ-GFCCVEGCSA-N 2 2 262.357 0.659 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001263996127 809619445 /nfs/dbraw/zinc/61/94/45/809619445.db2.gz TVVDYXMYWWOQFT-QJPTWQEYSA-N 2 2 262.357 0.717 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001263996127 809619449 /nfs/dbraw/zinc/61/94/49/809619449.db2.gz TVVDYXMYWWOQFT-QJPTWQEYSA-N 2 2 262.357 0.717 20 0 CCADLP C[N@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1cnns1 ZINC001265068498 809703820 /nfs/dbraw/zinc/70/38/20/809703820.db2.gz MLPZKTRVBXAOQM-UHFFFAOYSA-N 2 2 297.428 0.572 20 0 CCADLP C[N@@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1cnns1 ZINC001265068498 809703823 /nfs/dbraw/zinc/70/38/23/809703823.db2.gz MLPZKTRVBXAOQM-UHFFFAOYSA-N 2 2 297.428 0.572 20 0 CCADLP COCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001265089077 809706591 /nfs/dbraw/zinc/70/65/91/809706591.db2.gz JIXFBPGUWXPRIC-JSGCOSHPSA-N 2 2 294.399 0.958 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]([NH2+]CCOCC2CC2)C1 ZINC001265500429 809792534 /nfs/dbraw/zinc/79/25/34/809792534.db2.gz FSHDMYUVEWGZQI-JOCQHMNTSA-N 2 2 292.383 0.616 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@@H]([NH2+]CCF)C1 ZINC001265568513 809806523 /nfs/dbraw/zinc/80/65/23/809806523.db2.gz ZTDKBBMZFYQCLX-PHIMTYICSA-N 2 2 268.336 0.559 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CCCC[C@H]1C[NH2+]CCO ZINC001265671893 809824484 /nfs/dbraw/zinc/82/44/84/809824484.db2.gz PZQASXKFUWJCLB-ZDUSSCGKSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CCCC[C@H]1C[NH2+]CCO ZINC001265671893 809824489 /nfs/dbraw/zinc/82/44/89/809824489.db2.gz PZQASXKFUWJCLB-ZDUSSCGKSA-N 2 2 280.372 0.305 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CCOC(C)C ZINC001149134758 811478749 /nfs/dbraw/zinc/47/87/49/811478749.db2.gz MMNYGMWCXSAAFO-UHFFFAOYSA-N 2 2 268.361 0.391 20 0 CCADLP Cc1nc(Cl)ncc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001218586421 811588424 /nfs/dbraw/zinc/58/84/24/811588424.db2.gz MGAOKVZVXWCZLZ-VIFPVBQESA-N 2 2 294.746 0.680 20 0 CCADLP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001077233258 815465230 /nfs/dbraw/zinc/46/52/30/815465230.db2.gz RWRXROMRYSLENG-ZIAGYGMSSA-N 2 2 288.351 0.748 20 0 CCADLP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001077233258 815465233 /nfs/dbraw/zinc/46/52/33/815465233.db2.gz RWRXROMRYSLENG-ZIAGYGMSSA-N 2 2 288.351 0.748 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)[C@@H]([NH3+])C2CCCCC2)c1 ZINC001219632101 811691047 /nfs/dbraw/zinc/69/10/47/811691047.db2.gz IDKSOXGBBSUMRN-ZDUSSCGKSA-N 2 2 264.373 0.986 20 0 CCADLP CC[N@@H+]1CC[C@H](C[NH2+]C2CCS(=O)(=O)CC2)C1 ZINC000037644337 811886142 /nfs/dbraw/zinc/88/61/42/811886142.db2.gz FOKBFLOBDQLATC-LLVKDONJSA-N 2 2 260.403 0.495 20 0 CCADLP CC[N@H+]1CC[C@H](C[NH2+]C2CCS(=O)(=O)CC2)C1 ZINC000037644337 811886151 /nfs/dbraw/zinc/88/61/51/811886151.db2.gz FOKBFLOBDQLATC-LLVKDONJSA-N 2 2 260.403 0.495 20 0 CCADLP O=C(NC[C@@H]1CCC[N@@H+]1CCO)[C@@H]1CCc2[nH+]ccn2C1 ZINC001027980040 812191278 /nfs/dbraw/zinc/19/12/78/812191278.db2.gz KTBGJFWVDNGDMT-OLZOCXBDSA-N 2 2 292.383 0.018 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000336841887 812230247 /nfs/dbraw/zinc/23/02/47/812230247.db2.gz QIPZDXUSTBVWQP-ZFWWWQNUSA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000336841887 812230253 /nfs/dbraw/zinc/23/02/53/812230253.db2.gz QIPZDXUSTBVWQP-ZFWWWQNUSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@H]([NH3+])c1ncc(C(=O)N2CC[NH2+]C3(CC3)C2)s1 ZINC001161553144 812304923 /nfs/dbraw/zinc/30/49/23/812304923.db2.gz YSVNAVRJXKACLM-QMMMGPOBSA-N 2 2 266.370 0.741 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365633791 812320203 /nfs/dbraw/zinc/32/02/03/812320203.db2.gz WQKFRVZTPZJPQV-UWVGGRQHSA-N 2 2 279.344 0.183 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365633791 812320211 /nfs/dbraw/zinc/32/02/11/812320211.db2.gz WQKFRVZTPZJPQV-UWVGGRQHSA-N 2 2 279.344 0.183 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCC[C@H]1C[NH2+]CCF ZINC001268290402 812450518 /nfs/dbraw/zinc/45/05/18/812450518.db2.gz OWHODGOEAMYTBB-QWRGUYRKSA-N 2 2 268.336 0.796 20 0 CCADLP CCC[NH2+]C[C@H](O)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001268312159 812474433 /nfs/dbraw/zinc/47/44/33/812474433.db2.gz UMOZCLHMVHWZBJ-LBPRGKRZSA-N 2 2 282.388 0.403 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC1(C[NH2+]CCO)CC1 ZINC001167901678 812507269 /nfs/dbraw/zinc/50/72/69/812507269.db2.gz VROVDCAQFUVORZ-UHFFFAOYSA-N 2 2 280.372 0.129 20 0 CCADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COCCOC ZINC000300262104 812525582 /nfs/dbraw/zinc/52/55/82/812525582.db2.gz PNDJPYQRHCGZIK-STQMWFEESA-N 2 2 260.378 0.084 20 0 CCADLP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COCCOC ZINC000300262104 812525585 /nfs/dbraw/zinc/52/55/85/812525585.db2.gz PNDJPYQRHCGZIK-STQMWFEESA-N 2 2 260.378 0.084 20 0 CCADLP COc1cc(-c2noc([C@H]3C[NH2+]C[C@@H]3[NH3+])n2)ccn1 ZINC001211755391 812671400 /nfs/dbraw/zinc/67/14/00/812671400.db2.gz KQGPDAQEMIWHOT-IUCAKERBSA-N 2 2 261.285 0.154 20 0 CCADLP COc1cnc(-c2noc([C@H]3C[NH2+]C[C@@H]3[NH3+])n2)c(OC)c1 ZINC001211757614 812687188 /nfs/dbraw/zinc/68/71/88/812687188.db2.gz HXORPHZSZWTMMV-IUCAKERBSA-N 2 2 291.311 0.163 20 0 CCADLP C[C@H](C[NH2+]CCCF)NC(=O)CCn1cc[nH+]c1 ZINC001268656359 812986043 /nfs/dbraw/zinc/98/60/43/812986043.db2.gz MUDYRDWVMMYWBC-LLVKDONJSA-N 2 2 256.325 0.727 20 0 CCADLP CC(C)[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001269150127 813239647 /nfs/dbraw/zinc/23/96/47/813239647.db2.gz ZNMYPROJTKEWLC-GFCCVEGCSA-N 2 2 250.346 0.776 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]CC[C@@H]1CCCO1 ZINC001126437216 813587964 /nfs/dbraw/zinc/58/79/64/813587964.db2.gz WFVDWCWICDEGMC-LBPRGKRZSA-N 2 2 280.372 0.617 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038417907 813707844 /nfs/dbraw/zinc/70/78/44/813707844.db2.gz VFXHTDLLFFKUFU-JQWIXIFHSA-N 2 2 288.351 0.748 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038417907 813707850 /nfs/dbraw/zinc/70/78/50/813707850.db2.gz VFXHTDLLFFKUFU-JQWIXIFHSA-N 2 2 288.351 0.748 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCCF)C1 ZINC001029255606 814020925 /nfs/dbraw/zinc/02/09/25/814020925.db2.gz NQNYIISHHXKCGS-HZSPNIEDSA-N 2 2 299.390 0.352 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCCF)C1 ZINC001029255606 814020929 /nfs/dbraw/zinc/02/09/29/814020929.db2.gz NQNYIISHHXKCGS-HZSPNIEDSA-N 2 2 299.390 0.352 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCCF)C1 ZINC001029255606 814020934 /nfs/dbraw/zinc/02/09/34/814020934.db2.gz NQNYIISHHXKCGS-HZSPNIEDSA-N 2 2 299.390 0.352 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCF)C1 ZINC001029255606 814020938 /nfs/dbraw/zinc/02/09/38/814020938.db2.gz NQNYIISHHXKCGS-HZSPNIEDSA-N 2 2 299.390 0.352 20 0 CCADLP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001029310015 814064275 /nfs/dbraw/zinc/06/42/75/814064275.db2.gz YNTLIQFHOIWYQG-ZNMIVQPWSA-N 2 2 295.402 0.973 20 0 CCADLP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001029310015 814064281 /nfs/dbraw/zinc/06/42/81/814064281.db2.gz YNTLIQFHOIWYQG-ZNMIVQPWSA-N 2 2 295.402 0.973 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC3(CC[NH+]3C3CCCC3)C2)C1 ZINC001270980664 814106586 /nfs/dbraw/zinc/10/65/86/814106586.db2.gz WOGKLNHCACQYFC-AWEZNQCLSA-N 2 2 293.411 0.546 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CC3(CC[NH+]3C3CCCC3)C2)C1 ZINC001270980664 814106593 /nfs/dbraw/zinc/10/65/93/814106593.db2.gz WOGKLNHCACQYFC-AWEZNQCLSA-N 2 2 293.411 0.546 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CC3(CC[N@@H+]3C3CCCC3)C2)C1 ZINC001270980664 814106596 /nfs/dbraw/zinc/10/65/96/814106596.db2.gz WOGKLNHCACQYFC-AWEZNQCLSA-N 2 2 293.411 0.546 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CC3(CC[N@H+]3C3CCCC3)C2)C1 ZINC001270980664 814106603 /nfs/dbraw/zinc/10/66/03/814106603.db2.gz WOGKLNHCACQYFC-AWEZNQCLSA-N 2 2 293.411 0.546 20 0 CCADLP CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001088219798 814447609 /nfs/dbraw/zinc/44/76/09/814447609.db2.gz WLMNKSDYMVMQRT-OLZOCXBDSA-N 2 2 262.357 0.683 20 0 CCADLP CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001088219798 814447618 /nfs/dbraw/zinc/44/76/18/814447618.db2.gz WLMNKSDYMVMQRT-OLZOCXBDSA-N 2 2 262.357 0.683 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001075866380 814594500 /nfs/dbraw/zinc/59/45/00/814594500.db2.gz COZNLMAQNNXHJL-SGMGOOAPSA-N 2 2 292.383 0.256 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001075866380 814594506 /nfs/dbraw/zinc/59/45/06/814594506.db2.gz COZNLMAQNNXHJL-SGMGOOAPSA-N 2 2 292.383 0.256 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001075866380 814594514 /nfs/dbraw/zinc/59/45/14/814594514.db2.gz COZNLMAQNNXHJL-SGMGOOAPSA-N 2 2 292.383 0.256 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001075866380 814594519 /nfs/dbraw/zinc/59/45/19/814594519.db2.gz COZNLMAQNNXHJL-SGMGOOAPSA-N 2 2 292.383 0.256 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1CCCCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001088433860 814685831 /nfs/dbraw/zinc/68/58/31/814685831.db2.gz HZPWQZGECXDMCN-KGLIPLIRSA-N 2 2 294.399 0.625 20 0 CCADLP CC1(Nc2[nH+]cnc3[nH]cc(C(N)=O)c32)CC[NH2+]CC1 ZINC001168187923 814887944 /nfs/dbraw/zinc/88/79/44/814887944.db2.gz XQGSIJBFYJYXHJ-UHFFFAOYSA-N 2 2 274.328 0.611 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC1C[NH+](C[C@H]2CCCCO2)C1 ZINC001030160105 815849888 /nfs/dbraw/zinc/84/98/88/815849888.db2.gz ASFNJZJIVOQEQB-ZIAGYGMSSA-N 2 2 281.400 0.450 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NC1C[NH+](C[C@H]2CCCCO2)C1 ZINC001030160105 815849893 /nfs/dbraw/zinc/84/98/93/815849893.db2.gz ASFNJZJIVOQEQB-ZIAGYGMSSA-N 2 2 281.400 0.450 20 0 CCADLP CO[C@H](C[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1)C1CCC1 ZINC001030161831 815854706 /nfs/dbraw/zinc/85/47/06/815854706.db2.gz QQCHBXDYSVHCHR-HUUCEWRRSA-N 2 2 295.427 0.696 20 0 CCADLP CO[C@H](C[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1)C1CCC1 ZINC001030161831 815854714 /nfs/dbraw/zinc/85/47/14/815854714.db2.gz QQCHBXDYSVHCHR-HUUCEWRRSA-N 2 2 295.427 0.696 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001030594866 816133011 /nfs/dbraw/zinc/13/30/11/816133011.db2.gz SNOGJKLTRMLNGK-TZMCWYRMSA-N 2 2 283.416 0.288 20 0 CCADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001030594866 816133017 /nfs/dbraw/zinc/13/30/17/816133017.db2.gz SNOGJKLTRMLNGK-TZMCWYRMSA-N 2 2 283.416 0.288 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001030618338 816153229 /nfs/dbraw/zinc/15/32/29/816153229.db2.gz FMWVFSGFXVZBFB-LLVKDONJSA-N 2 2 288.351 0.783 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001088981581 816201657 /nfs/dbraw/zinc/20/16/57/816201657.db2.gz CACYRIANLDBAMB-YPMHNXCESA-N 2 2 280.372 0.188 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001088981581 816201663 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COC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001106800518 816920630 /nfs/dbraw/zinc/92/06/30/816920630.db2.gz AAECRRZBTTWEMF-FRRDWIJNSA-N 2 2 294.399 0.671 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)NC2C[NH+](C[C@H]3CC(C)(C)CO3)C2)C1 ZINC001031384736 817018290 /nfs/dbraw/zinc/01/82/90/817018290.db2.gz KODQWIHOMFCRFZ-TZMCWYRMSA-N 2 2 295.427 0.554 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)NC2C[NH+](C[C@H]3CC(C)(C)CO3)C2)C1 ZINC001031384736 817018296 /nfs/dbraw/zinc/01/82/96/817018296.db2.gz KODQWIHOMFCRFZ-TZMCWYRMSA-N 2 2 295.427 0.554 20 0 CCADLP Cc1nocc1C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001031580900 817163218 /nfs/dbraw/zinc/16/32/18/817163218.db2.gz YMVGYUHQSYOYPA-CQSZACIVSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1nocc1C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001031580900 817163224 /nfs/dbraw/zinc/16/32/24/817163224.db2.gz YMVGYUHQSYOYPA-CQSZACIVSA-N 2 2 292.383 0.625 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CCF)C2)CC[N@@H+]1C ZINC001031684119 817243093 /nfs/dbraw/zinc/24/30/93/817243093.db2.gz HJYDYKFDBZBMKW-QWHCGFSZSA-N 2 2 271.380 0.734 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CCF)C2)CC[N@H+]1C ZINC001031684119 817243099 /nfs/dbraw/zinc/24/30/99/817243099.db2.gz HJYDYKFDBZBMKW-QWHCGFSZSA-N 2 2 271.380 0.734 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001031777132 817358395 /nfs/dbraw/zinc/35/83/95/817358395.db2.gz WHVJJJRHVIYJGL-GFCCVEGCSA-N 2 2 257.353 0.488 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001031777132 817358402 /nfs/dbraw/zinc/35/84/02/817358402.db2.gz WHVJJJRHVIYJGL-GFCCVEGCSA-N 2 2 257.353 0.488 20 0 CCADLP CC[NH+]1CC(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001031782768 817363208 /nfs/dbraw/zinc/36/32/08/817363208.db2.gz LPOZZQBVYXZPAV-LBPRGKRZSA-N 2 2 262.357 0.513 20 0 CCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C1 ZINC000446362659 817371016 /nfs/dbraw/zinc/37/10/16/817371016.db2.gz IDSQVIKOPQTABI-LLVKDONJSA-N 2 2 291.399 0.469 20 0 CCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C1 ZINC000446362659 817371020 /nfs/dbraw/zinc/37/10/20/817371020.db2.gz IDSQVIKOPQTABI-LLVKDONJSA-N 2 2 291.399 0.469 20 0 CCADLP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001077690865 818010050 /nfs/dbraw/zinc/01/00/50/818010050.db2.gz BYQFJGXKGCUGDD-HKUMRIAESA-N 2 2 292.383 0.093 20 0 CCADLP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001077690865 818010055 /nfs/dbraw/zinc/01/00/55/818010055.db2.gz BYQFJGXKGCUGDD-HKUMRIAESA-N 2 2 292.383 0.093 20 0 CCADLP CC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001078736301 818038047 /nfs/dbraw/zinc/03/80/47/818038047.db2.gz HWIWZWRSBPAMDJ-VXGBXAGGSA-N 2 2 262.357 0.989 20 0 CCADLP COC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001032814971 818040076 /nfs/dbraw/zinc/04/00/76/818040076.db2.gz SMBLZVUMMCXIKQ-AVGNSLFASA-N 2 2 278.356 0.203 20 0 CCADLP COC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001032814971 818040082 /nfs/dbraw/zinc/04/00/82/818040082.db2.gz SMBLZVUMMCXIKQ-AVGNSLFASA-N 2 2 278.356 0.203 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1C[C@@H]([NH2+]CCF)C12CCC2 ZINC001078761075 818050241 /nfs/dbraw/zinc/05/02/41/818050241.db2.gz FQEHMPZDKFUTDW-GHMZBOCLSA-N 2 2 280.347 0.939 20 0 CCADLP CC[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccccn1 ZINC000094916674 818056771 /nfs/dbraw/zinc/05/67/71/818056771.db2.gz HFIOMBVGUJEOFR-UHFFFAOYSA-N 2 2 262.357 0.335 20 0 CCADLP CC[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccccn1 ZINC000094916674 818056775 /nfs/dbraw/zinc/05/67/75/818056775.db2.gz HFIOMBVGUJEOFR-UHFFFAOYSA-N 2 2 262.357 0.335 20 0 CCADLP CO[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C12CCC2 ZINC000453108028 818209552 /nfs/dbraw/zinc/20/95/52/818209552.db2.gz KDCQHWDFMWHMJH-MELADBBJSA-N 2 2 295.427 0.873 20 0 CCADLP CO[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C12CCC2 ZINC000453108028 818209561 /nfs/dbraw/zinc/20/95/61/818209561.db2.gz KDCQHWDFMWHMJH-MELADBBJSA-N 2 2 295.427 0.873 20 0 CCADLP CC[N@@H+]1CCn2ncc(CNC(=O)CCC[NH+](C)C)c2C1 ZINC001128458550 818257404 /nfs/dbraw/zinc/25/74/04/818257404.db2.gz QZSBTXOBRXVWQL-UHFFFAOYSA-N 2 2 293.415 0.677 20 0 CCADLP CC[N@H+]1CCn2ncc(CNC(=O)CCC[NH+](C)C)c2C1 ZINC001128458550 818257408 /nfs/dbraw/zinc/25/74/08/818257408.db2.gz QZSBTXOBRXVWQL-UHFFFAOYSA-N 2 2 293.415 0.677 20 0 CCADLP CN(C(=O)C[NH+]1CCCC1)C1CN(Cc2c[nH+]cn2C)C1 ZINC001044297890 818350430 /nfs/dbraw/zinc/35/04/30/818350430.db2.gz NKKYKEXGDDRVTQ-UHFFFAOYSA-N 2 2 291.399 0.159 20 0 CCADLP C[C@@H](CC[NH2+]CCO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001273026764 818472599 /nfs/dbraw/zinc/47/25/99/818472599.db2.gz KXEWDZFJPIUFCI-QJPTWQEYSA-N 2 2 280.372 0.000 20 0 CCADLP CC(=O)Nc1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)nn1 ZINC001168737039 818554725 /nfs/dbraw/zinc/55/47/25/818554725.db2.gz UZODQADDRNUVKC-UHFFFAOYSA-N 2 2 277.332 0.029 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cc3c(cn2)OCC(=O)N3)CC1 ZINC001168737093 818557063 /nfs/dbraw/zinc/55/70/63/818557063.db2.gz VPSDHIMYEWNWLX-UHFFFAOYSA-N 2 2 290.327 0.007 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(OC3C[NH2+]C3)cn2)CC1 ZINC001168740119 818596488 /nfs/dbraw/zinc/59/64/88/818596488.db2.gz DFSODGOAWBNMRF-UHFFFAOYSA-N 3 2 290.371 0.026 20 0 CCADLP CC[N@H+](C)CCC(=O)NCc1cnn2c1C[NH+](CC)CC2 ZINC001128534452 818612761 /nfs/dbraw/zinc/61/27/61/818612761.db2.gz ASBIFGIDEDXNER-UHFFFAOYSA-N 2 2 293.415 0.677 20 0 CCADLP CC[N@@H+](C)CCC(=O)NCc1cnn2c1C[NH+](CC)CC2 ZINC001128534452 818612765 /nfs/dbraw/zinc/61/27/65/818612765.db2.gz ASBIFGIDEDXNER-UHFFFAOYSA-N 2 2 293.415 0.677 20 0 CCADLP CC[NH+](C)CCC(=O)NCc1cnn2c1C[N@H+](CC)CC2 ZINC001128534452 818612769 /nfs/dbraw/zinc/61/27/69/818612769.db2.gz ASBIFGIDEDXNER-UHFFFAOYSA-N 2 2 293.415 0.677 20 0 CCADLP CC[NH+](C)CCC(=O)NCc1cnn2c1C[N@@H+](CC)CC2 ZINC001128534452 818612772 /nfs/dbraw/zinc/61/27/72/818612772.db2.gz ASBIFGIDEDXNER-UHFFFAOYSA-N 2 2 293.415 0.677 20 0 CCADLP [NH3+]Cc1ncn(-c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC001168754527 819165985 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Cc1cnc(C[NH3+])n1-c1ccc(-n2cc[nH+]c2C)nn1 ZINC001169028112 836104930 /nfs/dbraw/zinc/10/49/30/836104930.db2.gz LWYRBTJWDCCSHP-UHFFFAOYSA-N 2 2 269.312 0.924 20 0 CCADLP CCc1nc(Cl)cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169071171 836124217 /nfs/dbraw/zinc/12/42/17/836124217.db2.gz GCIPBCYXPUDYCW-MRVPVSSYSA-N 2 2 281.747 0.740 20 0 CCADLP CN(C)c1cc(F)cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1 ZINC001169072944 836124921 /nfs/dbraw/zinc/12/49/21/836124921.db2.gz VDNAGQPUXGSTGI-LLVKDONJSA-N 2 2 278.331 0.940 20 0 CCADLP C[Si](C)(C)c1cccnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169072477 836125741 /nfs/dbraw/zinc/12/57/41/836125741.db2.gz SKGKYCCHEHADKL-LLVKDONJSA-N 2 2 290.443 0.675 20 0 CCADLP COc1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ncc1F ZINC001169072337 836125869 /nfs/dbraw/zinc/12/58/69/836125869.db2.gz QWLJXOZHSCHVLV-MRVPVSSYSA-N 2 2 266.276 0.277 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cccc2cnoc21 ZINC001169074225 836127421 /nfs/dbraw/zinc/12/74/21/836127421.db2.gz GWRTXDOBINGKCH-SNVBAGLBSA-N 2 2 258.281 0.876 20 0 CCADLP Cc1cc2[nH+]ccn2cc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169075098 836128122 /nfs/dbraw/zinc/12/81/22/836128122.db2.gz UVMWDMYPLVOLHI-LLVKDONJSA-N 3 2 271.324 0.691 20 0 CCADLP C[C@@H]1c2ccc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)cc2NC1=O ZINC001169075319 836128787 /nfs/dbraw/zinc/12/87/87/836128787.db2.gz XYJDQFFQIKWRJQ-NXEZZACHSA-N 2 2 286.335 0.790 20 0 CCADLP CC[C@@H](C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1)OC ZINC001169212851 836161396 /nfs/dbraw/zinc/16/13/96/836161396.db2.gz XVDFCXQLPHUWKY-NSHDSACASA-N 2 2 268.361 0.473 20 0 CCADLP C[C@@H](O)CCC[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169212963 836161622 /nfs/dbraw/zinc/16/16/22/836161622.db2.gz ZIXXKLYPMHYRDI-LLVKDONJSA-N 2 2 268.361 0.209 20 0 CCADLP CCOC(=O)[C@H]1CC[C@H]([N@@H+]2CCC[C@H]2C[NH3+])CO1 ZINC001169335456 836229223 /nfs/dbraw/zinc/22/92/23/836229223.db2.gz SCDDWWGSIJNQGK-SDDRHHMPSA-N 2 2 256.346 0.520 20 0 CCADLP CCOC(=O)[C@H]1CC[C@H]([N@H+]2CCC[C@H]2C[NH3+])CO1 ZINC001169335456 836229233 /nfs/dbraw/zinc/22/92/33/836229233.db2.gz SCDDWWGSIJNQGK-SDDRHHMPSA-N 2 2 256.346 0.520 20 0 CCADLP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@]1(C[NH3+])CN2CCC1CC2 ZINC001169449891 836281309 /nfs/dbraw/zinc/28/13/09/836281309.db2.gz WXTUBMRQXKOSQN-CZUORRHYSA-N 2 2 296.459 0.646 20 0 CCADLP Cc1[nH+]ccn1-c1cc(NC[C@H]2COCC[NH2+]2)ncn1 ZINC001170036304 836755500 /nfs/dbraw/zinc/75/55/00/836755500.db2.gz XGDKODWVSUUTGA-NSHDSACASA-N 2 2 274.328 0.371 20 0 CCADLP CC(C)CCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001112741892 836888064 /nfs/dbraw/zinc/88/80/64/836888064.db2.gz FGSBLCCODATONZ-HNNXBMFYSA-N 2 2 297.443 0.897 20 0 CCADLP CC(C)CCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001112741892 836888070 /nfs/dbraw/zinc/88/80/70/836888070.db2.gz FGSBLCCODATONZ-HNNXBMFYSA-N 2 2 297.443 0.897 20 0 CCADLP COCCC[NH+]1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001112808920 836922860 /nfs/dbraw/zinc/92/28/60/836922860.db2.gz SZRFEWGRGNNKHM-UHFFFAOYSA-N 2 2 280.372 0.523 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001112965246 836981996 /nfs/dbraw/zinc/98/19/96/836981996.db2.gz GPRATPLGXKBYAM-AWEZNQCLSA-N 2 2 283.416 0.507 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CC[NH+]([C@@H](C)COC)CC1 ZINC001113570543 837161989 /nfs/dbraw/zinc/16/19/89/837161989.db2.gz XVPGLYQYLPLOHE-ZDUSSCGKSA-N 2 2 271.405 0.507 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[NH+]([C@@H](C)COC)CC1 ZINC001113570543 837161994 /nfs/dbraw/zinc/16/19/94/837161994.db2.gz XVPGLYQYLPLOHE-ZDUSSCGKSA-N 2 2 271.405 0.507 20 0 CCADLP COCCC[NH+]1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001113596386 837171534 /nfs/dbraw/zinc/17/15/34/837171534.db2.gz GPAXDIWOCNOLQA-UHFFFAOYSA-N 2 2 294.399 0.533 20 0 CCADLP C[NH+]1CC(CNc2ccc(N3CCOCC3)c[nH+]2)C1 ZINC001170253265 837285406 /nfs/dbraw/zinc/28/54/06/837285406.db2.gz VZSZKPAEMQCFBZ-UHFFFAOYSA-N 2 2 262.357 0.892 20 0 CCADLP COC(=O)c1cc2c(NCC[N@H+](C)CC[NH3+])[nH]ccc-2n1 ZINC001170502706 837858108 /nfs/dbraw/zinc/85/81/08/837858108.db2.gz KGHDOADMVVRNMZ-UHFFFAOYSA-N 2 2 291.355 0.652 20 0 CCADLP COC(=O)c1cc2c(NCC[N@@H+](C)CC[NH3+])[nH]ccc-2n1 ZINC001170502706 837858115 /nfs/dbraw/zinc/85/81/15/837858115.db2.gz KGHDOADMVVRNMZ-UHFFFAOYSA-N 2 2 291.355 0.652 20 0 CCADLP CCN(c1cc(N2CCOCC2)[nH+]cn1)[C@H]1CCC[NH2+]C1 ZINC001158200208 837974931 /nfs/dbraw/zinc/97/49/31/837974931.db2.gz LFNDBJBFRSLRDG-ZDUSSCGKSA-N 2 2 291.399 0.892 20 0 CCADLP CO[C@H](C)C[NH2+]CCNC(=O)c1cccc2[nH+]ccn21 ZINC001131270471 838029838 /nfs/dbraw/zinc/02/98/38/838029838.db2.gz KUOKFZCTGKFTOS-LLVKDONJSA-N 2 2 276.340 0.689 20 0 CCADLP O=C(NCC[NH2+]CCF)c1cccc2[nH+]ccn21 ZINC001131270861 838031869 /nfs/dbraw/zinc/03/18/69/838031869.db2.gz UCLUSWPVZGCECE-UHFFFAOYSA-N 2 2 250.277 0.623 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1nnc(C)s1 ZINC001131380140 838075664 /nfs/dbraw/zinc/07/56/64/838075664.db2.gz DALYRJKOUOIYNN-UHFFFAOYSA-N 2 2 294.384 0.257 20 0 CCADLP Cc1[nH+]ccn1-c1cc(N[C@H](C)[C@@H]2C[NH2+]CCO2)ncn1 ZINC001170562742 838111647 /nfs/dbraw/zinc/11/16/47/838111647.db2.gz JJAYYSSJMBIRMT-PWSUYJOCSA-N 2 2 288.355 0.760 20 0 CCADLP COC(=O)c1c(OC)cc[nH+]c1N[C@@H](C)[C@H]1C[NH2+]CCO1 ZINC001170564654 838116996 /nfs/dbraw/zinc/11/69/96/838116996.db2.gz QYQIJAPIPZCVHZ-GXSJLCMTSA-N 2 2 295.339 0.666 20 0 CCADLP CC(C)COCC[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131652941 838167803 /nfs/dbraw/zinc/16/78/03/838167803.db2.gz PNOSTDFZILEONF-UHFFFAOYSA-N 2 2 296.415 0.731 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC[NH2+]C(C)C ZINC001131822722 838233439 /nfs/dbraw/zinc/23/34/39/838233439.db2.gz SSFLKWPHHRRTFF-ZDUSSCGKSA-N 2 2 271.405 0.602 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC[NH2+]C(C)C ZINC001131822722 838233452 /nfs/dbraw/zinc/23/34/52/838233452.db2.gz SSFLKWPHHRRTFF-ZDUSSCGKSA-N 2 2 271.405 0.602 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@H+]1CCO ZINC001132028823 838305245 /nfs/dbraw/zinc/30/52/45/838305245.db2.gz BYVYHWKMUURHRZ-RYUDHWBXSA-N 2 2 280.372 0.304 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]Cc1cncs1 ZINC001132081984 838313285 /nfs/dbraw/zinc/31/32/85/838313285.db2.gz HWHSLUHIQIIFRU-UHFFFAOYSA-N 2 2 279.369 0.636 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]C[C@@H]1CCCCO1 ZINC001132082740 838314354 /nfs/dbraw/zinc/31/43/54/838314354.db2.gz VABCVXNGNHHVDF-ZDUSSCGKSA-N 2 2 280.372 0.548 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]CC[C@H]1CCOC1 ZINC001132082368 838315157 /nfs/dbraw/zinc/31/51/57/838315157.db2.gz MRKYPAMMSSGSOP-ZDUSSCGKSA-N 2 2 280.372 0.406 20 0 CCADLP CCOCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001132537497 838430750 /nfs/dbraw/zinc/43/07/50/838430750.db2.gz PKYOJGVIGPVYSX-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP CCOCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001132537497 838430753 /nfs/dbraw/zinc/43/07/53/838430753.db2.gz PKYOJGVIGPVYSX-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCCO ZINC001133135857 838559715 /nfs/dbraw/zinc/55/97/15/838559715.db2.gz YMSHNIBMHOGCSF-CHWSQXEVSA-N 2 2 294.399 0.409 20 0 CCADLP C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C[NH2+]CCO ZINC001133194769 838573236 /nfs/dbraw/zinc/57/32/36/838573236.db2.gz KMQGRJVKAWGQIT-NEPJUHHUSA-N 2 2 280.372 0.019 20 0 CCADLP C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C[NH2+]CCO ZINC001133242199 838583065 /nfs/dbraw/zinc/58/30/65/838583065.db2.gz OQJQPVMTHKVYDO-STQMWFEESA-N 2 2 294.399 0.029 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CCO)C1 ZINC001133272237 838587204 /nfs/dbraw/zinc/58/72/04/838587204.db2.gz WYMTYJVJJNPHRZ-AAEUAGOBSA-N 2 2 294.399 0.327 20 0 CCADLP COCCn1ccc2c1nc[nH+]c2N1CC2(C1)C[NH+](C)C2 ZINC001158865696 838644398 /nfs/dbraw/zinc/64/43/98/838644398.db2.gz ATTJQYHXBIGVEM-UHFFFAOYSA-N 2 2 287.367 0.830 20 0 CCADLP O=C(NCC[NH2+]CC1CC1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001133664461 838691323 /nfs/dbraw/zinc/69/13/23/838691323.db2.gz RKOXNWBHWPQAAA-NSHDSACASA-N 2 2 262.357 0.945 20 0 CCADLP COC[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001133668392 838692322 /nfs/dbraw/zinc/69/23/22/838692322.db2.gz WGPLCJWWRLQAJE-WDEREUQCSA-N 2 2 280.372 0.570 20 0 CCADLP C[C@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]Cc1cnsn1 ZINC001133823513 838723428 /nfs/dbraw/zinc/72/34/28/838723428.db2.gz IDBYOQGPSSUPEP-JTQLQIEISA-N 2 2 283.401 0.228 20 0 CCADLP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]Cc1cnsn1 ZINC001133823513 838723438 /nfs/dbraw/zinc/72/34/38/838723438.db2.gz IDBYOQGPSSUPEP-JTQLQIEISA-N 2 2 283.401 0.228 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)C[N@H+]2CC[C@@H](C)C2)oc1C ZINC001133854024 838741460 /nfs/dbraw/zinc/74/14/60/838741460.db2.gz VWQSWQIPMOJZKY-LLVKDONJSA-N 2 2 294.399 0.839 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)oc1C ZINC001133854024 838741467 /nfs/dbraw/zinc/74/14/67/838741467.db2.gz VWQSWQIPMOJZKY-LLVKDONJSA-N 2 2 294.399 0.839 20 0 CCADLP CC[C@@H](C(=O)NCC[NH2+][C@H](C)c1nnc(C)[nH]1)[NH+](C)C ZINC001133965709 838794301 /nfs/dbraw/zinc/79/43/01/838794301.db2.gz GPOWRIKIOXEILB-KOLCDFICSA-N 2 2 282.392 0.220 20 0 CCADLP C[C@H](CC(=O)NCC[NH2+]CC[C@H]1CCOC1)n1cc[nH+]c1 ZINC001134499218 838994263 /nfs/dbraw/zinc/99/42/63/838994263.db2.gz YRIIWDJPFOWWJE-KGLIPLIRSA-N 2 2 294.399 0.967 20 0 CCADLP Cc1nonc1C[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134776212 839071417 /nfs/dbraw/zinc/07/14/17/839071417.db2.gz MVXRWLZCLHMQML-UHFFFAOYSA-N 2 2 295.387 0.316 20 0 CCADLP Cc1nc(N[C@@H]2C[NH2+]C[C@@H]2CO)c2c([nH+]1)CCCC2 ZINC001170777618 839104033 /nfs/dbraw/zinc/10/40/33/839104033.db2.gz RHMGNWDMZGEKMX-ZWNOBZJWSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CC1CCOCC1 ZINC001135072490 839151126 /nfs/dbraw/zinc/15/11/26/839151126.db2.gz XZUQRQSYTVOQNL-GFCCVEGCSA-N 2 2 294.399 0.721 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]CC1CCOCC1 ZINC001135072490 839151130 /nfs/dbraw/zinc/15/11/30/839151130.db2.gz XZUQRQSYTVOQNL-GFCCVEGCSA-N 2 2 294.399 0.721 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CC[C@@H]1CCOC1 ZINC001135080444 839158994 /nfs/dbraw/zinc/15/89/94/839158994.db2.gz UCYOQBPZMXPLBB-QWHCGFSZSA-N 2 2 294.399 0.721 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]CC[C@@H]1CCOC1 ZINC001135080444 839159000 /nfs/dbraw/zinc/15/90/00/839159000.db2.gz UCYOQBPZMXPLBB-QWHCGFSZSA-N 2 2 294.399 0.721 20 0 CCADLP COCCn1ccc2c1nc[nH+]c2NCCN(C)CC[NH3+] ZINC001159439220 839191313 /nfs/dbraw/zinc/19/13/13/839191313.db2.gz OBGVKDKWKAUHAM-UHFFFAOYSA-N 2 2 292.387 0.380 20 0 CCADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C[NH2+]CCCO ZINC001185370445 844410342 /nfs/dbraw/zinc/41/03/42/844410342.db2.gz KRKUJESMVVIGQR-STQMWFEESA-N 2 2 294.399 0.409 20 0 CCADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1C[NH2+]CCCO ZINC001185370444 844410489 /nfs/dbraw/zinc/41/04/89/844410489.db2.gz KRKUJESMVVIGQR-QWHCGFSZSA-N 2 2 294.399 0.409 20 0 CCADLP Cc1ncsc1C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135754382 839383870 /nfs/dbraw/zinc/38/38/70/839383870.db2.gz BJTCUAAZNVGVLP-UHFFFAOYSA-N 2 2 279.369 0.623 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]Cc1ccc(CO)cc1 ZINC001135754430 839384453 /nfs/dbraw/zinc/38/44/53/839384453.db2.gz CCRGQSQZPRBBBZ-UHFFFAOYSA-N 2 2 288.351 0.351 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CC[C@@H]1CCCCO1 ZINC001135758094 839395519 /nfs/dbraw/zinc/39/55/19/839395519.db2.gz YHXLUTIINQRFDH-LBPRGKRZSA-N 2 2 280.372 0.617 20 0 CCADLP COc1cc(C[NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)ccn1 ZINC001135760153 839395871 /nfs/dbraw/zinc/39/58/71/839395871.db2.gz JKYATXAJUDDULO-UHFFFAOYSA-N 2 2 289.339 0.262 20 0 CCADLP CC[C@@]([NH3+])(CO)Nc1ccc(-n2cc[nH+]c2C)nn1 ZINC001170856364 839435089 /nfs/dbraw/zinc/43/50/89/839435089.db2.gz ACLPILXTZALFIB-LBPRGKRZSA-N 2 2 262.317 0.440 20 0 CCADLP CC[C@]([NH3+])(CO)Nc1cc[nH+]c2ccc(OC)nc12 ZINC001170865531 839462703 /nfs/dbraw/zinc/46/27/03/839462703.db2.gz ODMXXLVOVCCIHP-CYBMUJFWSA-N 2 2 262.313 0.530 20 0 CCADLP O[C@@H](C[NH2+]C[C@H]1CCC[NH2+]1)COc1ccccc1 ZINC001245979449 839577216 /nfs/dbraw/zinc/57/72/16/839577216.db2.gz AESAIGZQIWXGIO-OLZOCXBDSA-N 2 2 250.342 0.768 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](C[C@H](O)c2ccc(F)c(F)c2)C[C@@H]1O ZINC001246026230 839584450 /nfs/dbraw/zinc/58/44/50/839584450.db2.gz ZTZHCZDCKXXBIY-XDTLVQLUSA-N 2 2 272.295 0.250 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](C[C@H](O)c2ccc(F)c(F)c2)C[C@@H]1O ZINC001246026230 839584455 /nfs/dbraw/zinc/58/44/55/839584455.db2.gz ZTZHCZDCKXXBIY-XDTLVQLUSA-N 2 2 272.295 0.250 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)cn2)CC[NH2+]1 ZINC001246119098 839629845 /nfs/dbraw/zinc/62/98/45/839629845.db2.gz BIUWHDJXDYMKFJ-MNOVXSKESA-N 2 2 283.397 0.715 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@@H](N[C@]2(C)CCC[NH2+]C2)C[NH2+]1 ZINC001246189529 839670448 /nfs/dbraw/zinc/67/04/48/839670448.db2.gz NBZQQDLLDRPKJO-MRVWCRGKSA-N 2 2 269.389 0.402 20 0 CCADLP COCC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001185789117 844460423 /nfs/dbraw/zinc/46/04/23/844460423.db2.gz SDXBUSISEYLZAF-ZIAGYGMSSA-N 2 2 294.399 0.604 20 0 CCADLP COCCOCCOCC[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246206668 839679958 /nfs/dbraw/zinc/67/99/58/839679958.db2.gz KJSNMZQILJVLTG-STQMWFEESA-N 2 2 260.378 0.396 20 0 CCADLP CC(C)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090728201 839756805 /nfs/dbraw/zinc/75/68/05/839756805.db2.gz QHCOKQYEXBOMCV-KBPBESRZSA-N 2 2 294.399 0.170 20 0 CCADLP CC(C)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090728201 839756815 /nfs/dbraw/zinc/75/68/15/839756815.db2.gz QHCOKQYEXBOMCV-KBPBESRZSA-N 2 2 294.399 0.170 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@]2(CC)CC[NH2+]C2)CN1 ZINC001246464672 839859457 /nfs/dbraw/zinc/85/94/57/839859457.db2.gz SKBZXILJKOXMBI-MBNYWOFBSA-N 2 2 269.389 0.402 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]C[C@H]1C[C@@]12CCOC2 ZINC001149122730 840326556 /nfs/dbraw/zinc/32/65/56/840326556.db2.gz AJBGIBZWHSTRQK-IUODEOHRSA-N 2 2 292.383 0.393 20 0 CCADLP C[C@@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)CCCn1cc[nH+]c1 ZINC001146706810 840348175 /nfs/dbraw/zinc/34/81/75/840348175.db2.gz JEXLWKYPKLRKPI-RYUDHWBXSA-N 2 2 295.387 0.022 20 0 CCADLP Cc1noc(C)c1C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147872091 840708154 /nfs/dbraw/zinc/70/81/54/840708154.db2.gz ZXTFIDMUXXWUMZ-UHFFFAOYSA-N 2 2 291.355 0.473 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001148000279 840730019 /nfs/dbraw/zinc/73/00/19/840730019.db2.gz MVLKQWPPVCYMHV-SNVBAGLBSA-N 2 2 293.371 0.241 20 0 CCADLP [NH3+]CCN(CCNc1ccc2c([nH+]1)CCC2)N(O)N=O ZINC001161088182 840740684 /nfs/dbraw/zinc/74/06/84/840740684.db2.gz ZHLIISUKKHOPNX-UHFFFAOYSA-N 2 2 280.332 0.531 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1nnc(C)s1 ZINC001148638507 840873765 /nfs/dbraw/zinc/87/37/65/840873765.db2.gz JIRZQZAOJXWGSX-UHFFFAOYSA-N 2 2 285.417 0.394 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1nnc(C)s1 ZINC001148638507 840873769 /nfs/dbraw/zinc/87/37/69/840873769.db2.gz JIRZQZAOJXWGSX-UHFFFAOYSA-N 2 2 285.417 0.394 20 0 CCADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@]2(C(C)C)CCC[NH2+]C2)C1 ZINC001161139434 840875822 /nfs/dbraw/zinc/87/58/22/840875822.db2.gz TXMJNGIUMCBEMV-HUUCEWRRSA-N 2 2 297.399 0.115 20 0 CCADLP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001186824686 844606870 /nfs/dbraw/zinc/60/68/70/844606870.db2.gz FXWDMZIOXWNPEU-LLVKDONJSA-N 2 2 297.428 0.570 20 0 CCADLP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001186824686 844606877 /nfs/dbraw/zinc/60/68/77/844606877.db2.gz FXWDMZIOXWNPEU-LLVKDONJSA-N 2 2 297.428 0.570 20 0 CCADLP [NH3+]CC[N@H+](CCO)[C@H]1CCc2c(F)cccc2C1 ZINC001171393071 841119603 /nfs/dbraw/zinc/11/96/03/841119603.db2.gz BWFKLSIGQJXDIH-LBPRGKRZSA-N 2 2 252.333 0.936 20 0 CCADLP [NH3+]CC[N@@H+](CCO)[C@H]1CCc2c(F)cccc2C1 ZINC001171393071 841119606 /nfs/dbraw/zinc/11/96/06/841119606.db2.gz BWFKLSIGQJXDIH-LBPRGKRZSA-N 2 2 252.333 0.936 20 0 CCADLP [NH3+]C[C@@H]1[C@H](C(=O)NCCCn2cc[nH+]c2)C1(F)F ZINC000715116891 841256459 /nfs/dbraw/zinc/25/64/59/841256459.db2.gz XTWPXSRJJYWEQI-RKDXNWHRSA-N 2 2 258.272 0.229 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)CCCCC[NH3+] ZINC000037008688 841368694 /nfs/dbraw/zinc/36/86/94/841368694.db2.gz PJYMAICUMIBTSB-LBPRGKRZSA-N 2 2 257.378 0.342 20 0 CCADLP C[N@@H+]1CCCC[C@@H](C[NH2+]C2CC(S(C)(=O)=O)C2)C1 ZINC000716115178 841436619 /nfs/dbraw/zinc/43/66/19/841436619.db2.gz QTFJKOXOIZIRMZ-HIFPTAJRSA-N 2 2 274.430 0.884 20 0 CCADLP C[N@H+]1CCCC[C@@H](C[NH2+]C2CC(S(C)(=O)=O)C2)C1 ZINC000716115178 841436623 /nfs/dbraw/zinc/43/66/23/841436623.db2.gz QTFJKOXOIZIRMZ-HIFPTAJRSA-N 2 2 274.430 0.884 20 0 CCADLP Cc1nc(NCCNC(=O)C[N@H+]2CC[C@@H](C)C2)cc[nH+]1 ZINC001094119610 841538215 /nfs/dbraw/zinc/53/82/15/841538215.db2.gz WTEQIFVKHQIZSK-LLVKDONJSA-N 2 2 277.372 0.655 20 0 CCADLP Cc1nc(NCCNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc[nH+]1 ZINC001094119610 841538223 /nfs/dbraw/zinc/53/82/23/841538223.db2.gz WTEQIFVKHQIZSK-LLVKDONJSA-N 2 2 277.372 0.655 20 0 CCADLP Cc1nc(NCCCNC(=O)[C@H]2CCC[N@H+]2C)cc[nH+]1 ZINC001094339608 841609008 /nfs/dbraw/zinc/60/90/08/841609008.db2.gz BCLDOCAWBVHIKH-GFCCVEGCSA-N 2 2 277.372 0.797 20 0 CCADLP Cc1nc(NCCCNC(=O)[C@H]2CCC[N@@H+]2C)cc[nH+]1 ZINC001094339608 841609011 /nfs/dbraw/zinc/60/90/11/841609011.db2.gz BCLDOCAWBVHIKH-GFCCVEGCSA-N 2 2 277.372 0.797 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC(C(C)(C)O)CC1)C1CC1 ZINC000716367964 841648861 /nfs/dbraw/zinc/64/88/61/841648861.db2.gz YLRFAIDEJFZDIK-AWEZNQCLSA-N 2 2 270.417 0.924 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(C(C)(C)O)CC1)C1CC1 ZINC000716367964 841648867 /nfs/dbraw/zinc/64/88/67/841648867.db2.gz YLRFAIDEJFZDIK-AWEZNQCLSA-N 2 2 270.417 0.924 20 0 CCADLP C[C@H]([NH2+][C@H]1CC(=O)N(CC2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000716782730 841679420 /nfs/dbraw/zinc/67/94/20/841679420.db2.gz XAHZSONWJJRGHK-DRZSPHRISA-N 2 2 251.374 0.727 20 0 CCADLP Cn1cc[nH+]c1CC[NH2+][C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172166695 841878113 /nfs/dbraw/zinc/87/81/13/841878113.db2.gz QTOMKGKJJVYHOB-VXGBXAGGSA-N 2 2 262.357 0.706 20 0 CCADLP C[NH+]1CCC(CO)([NH2+]C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172225016 841895846 /nfs/dbraw/zinc/89/58/46/841895846.db2.gz DJRFFYYXFNZUQP-YHWZYXNKSA-N 2 2 254.374 0.743 20 0 CCADLP CC(C)(C)OC(=O)C[NH+]1CCC(NOCC[NH3+])CC1 ZINC001172883992 841981815 /nfs/dbraw/zinc/98/18/15/841981815.db2.gz ZYQJQVBBDQEZTI-UHFFFAOYSA-N 2 2 273.377 0.272 20 0 CCADLP CN(C)c1ccc(-c2noc(C[C@@H]([NH3+])C[NH3+])n2)cc1 ZINC001249129364 842026780 /nfs/dbraw/zinc/02/67/80/842026780.db2.gz MURINAQFUABBJZ-SNVBAGLBSA-N 2 2 261.329 0.631 20 0 CCADLP c1nnn([C@@H]2CCC[C@@H]([NH2+]CC[NH+]3CCCC3)C2)n1 ZINC001173736890 842135841 /nfs/dbraw/zinc/13/58/41/842135841.db2.gz JQWWEYQALAHWHJ-CHWSQXEVSA-N 2 2 264.377 0.842 20 0 CCADLP CC(C)[N@@H+]1CCCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150379369 842187286 /nfs/dbraw/zinc/18/72/86/842187286.db2.gz DGVAELFAOFDFOA-CYBMUJFWSA-N 2 2 280.372 0.568 20 0 CCADLP CC(C)[N@H+]1CCCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150379369 842187293 /nfs/dbraw/zinc/18/72/93/842187293.db2.gz DGVAELFAOFDFOA-CYBMUJFWSA-N 2 2 280.372 0.568 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]C[C@@H]1CC[C@H](C)O1 ZINC001174683249 842199608 /nfs/dbraw/zinc/19/96/08/842199608.db2.gz RWLYBNANUFPTMP-AAEUAGOBSA-N 2 2 294.399 0.924 20 0 CCADLP C[C@H](CCCC[NH2+][C@H](C)C(N)=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175462966 842252252 /nfs/dbraw/zinc/25/22/52/842252252.db2.gz WGQASHYSOVHPBS-GHMZBOCLSA-N 2 2 295.387 0.091 20 0 CCADLP C[C@@H](CCCC[NH2+]CCO)NC(=O)Cc1c[nH+]cn1C ZINC001176175876 842334856 /nfs/dbraw/zinc/33/48/56/842334856.db2.gz RHUOJWXIYYKJMX-LBPRGKRZSA-N 2 2 282.388 0.220 20 0 CCADLP [NH3+]CCN(C(=O)CCn1cc[nH+]c1)c1cccnc1 ZINC001176883695 842439436 /nfs/dbraw/zinc/43/94/36/842439436.db2.gz KIPLRZKMECTWPX-UHFFFAOYSA-N 2 2 259.313 0.660 20 0 CCADLP COCCOC[C@@H](O)C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001176976417 842476482 /nfs/dbraw/zinc/47/64/82/842476482.db2.gz CFOHAGKBERBZLN-AWEZNQCLSA-N 2 2 297.399 0.623 20 0 CCADLP C[C@H](C(=O)N1CC[NH+](CCC(C)(C)O)CC1)n1cc[nH+]c1 ZINC001177925622 842711219 /nfs/dbraw/zinc/71/12/19/842711219.db2.gz NJBLJPKZMGUBII-CYBMUJFWSA-N 2 2 294.399 0.749 20 0 CCADLP [NH3+]CCN(C(=O)CCc1[nH]cc[nH+]1)c1cccnc1 ZINC001177997698 842721412 /nfs/dbraw/zinc/72/14/12/842721412.db2.gz DKKJIRGTTCCRSM-UHFFFAOYSA-N 2 2 259.313 0.729 20 0 CCADLP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@H]1CCc3[nH+]ccn3C1)C2 ZINC001178117191 842761581 /nfs/dbraw/zinc/76/15/81/842761581.db2.gz PZRBSRWHFBDAQA-WOSRLPQWSA-N 2 2 288.395 0.856 20 0 CCADLP C/C(=C\C(=O)N[C@@H]1C[N@@H+](C)CC1(C)C)C[NH+]1CCOCC1 ZINC001178710143 842910620 /nfs/dbraw/zinc/91/06/20/842910620.db2.gz WKZYTDMJRVJSPT-KADHNRKRSA-N 2 2 295.427 0.721 20 0 CCADLP C/C(=C\C(=O)N[C@@H]1C[N@H+](C)CC1(C)C)C[NH+]1CCOCC1 ZINC001178710143 842910629 /nfs/dbraw/zinc/91/06/29/842910629.db2.gz WKZYTDMJRVJSPT-KADHNRKRSA-N 2 2 295.427 0.721 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC001179783469 843050149 /nfs/dbraw/zinc/05/01/49/843050149.db2.gz QGMLTCSBNBGQET-WOPDTQHZSA-N 2 2 280.372 0.566 20 0 CCADLP CC[NH+](CC)CC(=O)NCc1c[nH+]cn1CCOC ZINC001180391192 843162090 /nfs/dbraw/zinc/16/20/90/843162090.db2.gz QZKNPBRPDWXKEW-UHFFFAOYSA-N 2 2 268.361 0.488 20 0 CCADLP CC(C)N(C(=O)[C@H]1C[N@H+](C)CCO1)C(C)(C)C[NH3+] ZINC001180763616 843295303 /nfs/dbraw/zinc/29/53/03/843295303.db2.gz XHLFABBWNZWELP-LLVKDONJSA-N 2 2 257.378 0.291 20 0 CCADLP CC(C)N(C(=O)[C@H]1C[N@@H+](C)CCO1)C(C)(C)C[NH3+] ZINC001180763616 843295308 /nfs/dbraw/zinc/29/53/08/843295308.db2.gz XHLFABBWNZWELP-LLVKDONJSA-N 2 2 257.378 0.291 20 0 CCADLP C[C@@H](C(=O)N[C@H](C[NH+]1CCOCC1)C(C)(C)C)[NH+](C)C ZINC001180866865 843331074 /nfs/dbraw/zinc/33/10/74/843331074.db2.gz XVAGYDZMRJPLNK-QWHCGFSZSA-N 2 2 285.432 0.800 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)Cc1cc[nH+]c(N)c1 ZINC001181265092 843438365 /nfs/dbraw/zinc/43/83/65/843438365.db2.gz OVEGACLRDXVITM-UHFFFAOYSA-N 2 2 259.313 0.528 20 0 CCADLP C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3cc[nH+]c(N)c3)C[C@H]21 ZINC001181256348 843448472 /nfs/dbraw/zinc/44/84/72/843448472.db2.gz OPTFAPKORLAVPZ-QWHCGFSZSA-N 2 2 274.368 0.759 20 0 CCADLP C[N@H+]1CCC[C@H]2CN(C(=O)Cc3cc[nH+]c(N)c3)C[C@H]21 ZINC001181256348 843448475 /nfs/dbraw/zinc/44/84/75/843448475.db2.gz OPTFAPKORLAVPZ-QWHCGFSZSA-N 2 2 274.368 0.759 20 0 CCADLP C[NH+]1CCC(C)(C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)CC1 ZINC001181992473 843664919 /nfs/dbraw/zinc/66/49/19/843664919.db2.gz YVMRZGSRLZGAAB-GFCCVEGCSA-N 2 2 280.372 0.161 20 0 CCADLP C[NH+]1CCC(C)(C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)CC1 ZINC001181992473 843664924 /nfs/dbraw/zinc/66/49/24/843664924.db2.gz YVMRZGSRLZGAAB-GFCCVEGCSA-N 2 2 280.372 0.161 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)C[NH+]2CCCC2)o1 ZINC001151115409 843764768 /nfs/dbraw/zinc/76/47/68/843764768.db2.gz WVFHLRJRHUGJJC-UHFFFAOYSA-N 2 2 280.372 0.539 20 0 CCADLP CCN(CC[NH2+]Cc1nnc(C)[nH]1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001273547244 844750767 /nfs/dbraw/zinc/75/07/67/844750767.db2.gz XZFUYDDTZXOUQF-GFCCVEGCSA-N 2 2 294.403 0.145 20 0 CCADLP CCN(CC[NH2+]Cc1nnc(C)[nH]1)C(=O)[C@H]1CCC[N@H+]1C ZINC001273547244 844750771 /nfs/dbraw/zinc/75/07/71/844750771.db2.gz XZFUYDDTZXOUQF-GFCCVEGCSA-N 2 2 294.403 0.145 20 0 CCADLP COCCC[N@H+](C)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189872772 845240208 /nfs/dbraw/zinc/24/02/08/845240208.db2.gz AIKKWQYQRGUIMS-ZDUSSCGKSA-N 2 2 294.399 0.912 20 0 CCADLP COCCC[N@@H+](C)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189872772 845240220 /nfs/dbraw/zinc/24/02/20/845240220.db2.gz AIKKWQYQRGUIMS-ZDUSSCGKSA-N 2 2 294.399 0.912 20 0 CCADLP CCN(CC[NH2+]Cc1ncc(C)o1)C(=O)CC[NH+](C)C ZINC001273588652 845252713 /nfs/dbraw/zinc/25/27/13/845252713.db2.gz SEEMZIZUMSKJSF-UHFFFAOYSA-N 2 2 282.388 0.873 20 0 CCADLP COC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001191633674 845698531 /nfs/dbraw/zinc/69/85/31/845698531.db2.gz SMJOIRRBFHWRGR-KBPBESRZSA-N 2 2 294.399 0.841 20 0 CCADLP COC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001191633674 845698534 /nfs/dbraw/zinc/69/85/34/845698534.db2.gz SMJOIRRBFHWRGR-KBPBESRZSA-N 2 2 294.399 0.841 20 0 CCADLP CO[C@@H](C)C[N@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193046917 845963631 /nfs/dbraw/zinc/96/36/31/845963631.db2.gz ADFQEIYMTFJSQD-RYUDHWBXSA-N 2 2 280.372 0.520 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193046917 845963634 /nfs/dbraw/zinc/96/36/34/845963634.db2.gz ADFQEIYMTFJSQD-RYUDHWBXSA-N 2 2 280.372 0.520 20 0 CCADLP COCC[N@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194448425 846303442 /nfs/dbraw/zinc/30/34/42/846303442.db2.gz FPQSDEPKMYBHHP-AWEZNQCLSA-N 2 2 294.399 0.842 20 0 CCADLP COCC[N@@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194448425 846303452 /nfs/dbraw/zinc/30/34/52/846303452.db2.gz FPQSDEPKMYBHHP-AWEZNQCLSA-N 2 2 294.399 0.842 20 0 CCADLP COc1cc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)cnc1OC ZINC001205673942 846368244 /nfs/dbraw/zinc/36/82/44/846368244.db2.gz WHJUCMZDYPEGOU-HNNXBMFYSA-N 2 2 295.383 0.775 20 0 CCADLP COc1cc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)cnc1OC ZINC001205673942 846368253 /nfs/dbraw/zinc/36/82/53/846368253.db2.gz WHJUCMZDYPEGOU-HNNXBMFYSA-N 2 2 295.383 0.775 20 0 CCADLP CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195149006 846470172 /nfs/dbraw/zinc/47/01/72/846470172.db2.gz GPSVSZYSNFEILV-CHWSQXEVSA-N 2 2 280.372 0.235 20 0 CCADLP CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195149006 846470182 /nfs/dbraw/zinc/47/01/82/846470182.db2.gz GPSVSZYSNFEILV-CHWSQXEVSA-N 2 2 280.372 0.235 20 0 CCADLP CC[N@@H+]1CCN(C[C@@H](O)C[NH+]2CCOCC2)C(C)(C)C1 ZINC001251024554 846784840 /nfs/dbraw/zinc/78/48/40/846784840.db2.gz VBBNHHCWSJDPIA-AWEZNQCLSA-N 2 2 285.432 0.096 20 0 CCADLP CC[N@H+]1CCN(C[C@@H](O)C[NH+]2CCOCC2)C(C)(C)C1 ZINC001251024554 846784842 /nfs/dbraw/zinc/78/48/42/846784842.db2.gz VBBNHHCWSJDPIA-AWEZNQCLSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H](O)CCC[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001198368156 847096471 /nfs/dbraw/zinc/09/64/71/847096471.db2.gz PJWDQVPGOCPLSW-CQSZACIVSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@@H](O)CCC[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001198368156 847096476 /nfs/dbraw/zinc/09/64/76/847096476.db2.gz PJWDQVPGOCPLSW-CQSZACIVSA-N 2 2 294.399 0.578 20 0 CCADLP CC(C)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001199405653 847325392 /nfs/dbraw/zinc/32/53/92/847325392.db2.gz IGRPCBDLMXWNFL-ZIAGYGMSSA-N 2 2 294.399 0.481 20 0 CCADLP CO[C@@H](C)C[NH2+]C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001200949666 847710872 /nfs/dbraw/zinc/71/08/72/847710872.db2.gz HZSXDQLQXHPSPM-LBPRGKRZSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@@H](C)C[NH2+]C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001200949666 847710881 /nfs/dbraw/zinc/71/08/81/847710881.db2.gz HZSXDQLQXHPSPM-LBPRGKRZSA-N 2 2 294.399 0.958 20 0 CCADLP COCCC[NH2+]C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001201893397 847825605 /nfs/dbraw/zinc/82/56/05/847825605.db2.gz UUVDYIJBXRLVNN-UHFFFAOYSA-N 2 2 294.399 0.890 20 0 CCADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@@H](O)c1ccccc1F ZINC000717299519 848223024 /nfs/dbraw/zinc/22/30/24/848223024.db2.gz WGGJIURGMHSABT-GXFFZTMASA-N 2 2 256.321 0.371 20 0 CCADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC000717317094 848227134 /nfs/dbraw/zinc/22/71/34/848227134.db2.gz LJDPVLBDTLSYMY-GXFFZTMASA-N 2 2 274.311 0.510 20 0 CCADLP C[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001110877194 848420347 /nfs/dbraw/zinc/42/03/47/848420347.db2.gz HHFCJMHERDIBMQ-DGAVXFQQSA-N 2 2 292.383 0.376 20 0 CCADLP C[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001110877194 848420351 /nfs/dbraw/zinc/42/03/51/848420351.db2.gz HHFCJMHERDIBMQ-DGAVXFQQSA-N 2 2 292.383 0.376 20 0 CCADLP c1cn(CCN2CC3(C2)C[NH+](C[C@@H]2CCOC2)C3)c[nH+]1 ZINC001275172709 848655668 /nfs/dbraw/zinc/65/56/68/848655668.db2.gz TWIBNONULXEYDR-AWEZNQCLSA-N 2 2 276.384 0.537 20 0 CCADLP CCOCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001275208640 848666312 /nfs/dbraw/zinc/66/63/12/848666312.db2.gz MAYWPNRCRMVPDU-QWHCGFSZSA-N 2 2 294.399 0.576 20 0 CCADLP CCc1cc(N2CC[N@H+](C)[C@@H](CO)C2)nc(C)[nH+]1 ZINC000687589564 849110061 /nfs/dbraw/zinc/11/00/61/849110061.db2.gz VLJVZBMADWSXRC-GFCCVEGCSA-N 2 2 250.346 0.460 20 0 CCADLP CCc1cc(N2CC[N@@H+](C)[C@@H](CO)C2)nc(C)[nH+]1 ZINC000687589564 849110069 /nfs/dbraw/zinc/11/00/69/849110069.db2.gz VLJVZBMADWSXRC-GFCCVEGCSA-N 2 2 250.346 0.460 20 0 CCADLP CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001037100463 849333444 /nfs/dbraw/zinc/33/34/44/849333444.db2.gz JIYLYGVHMHYGCT-GHMZBOCLSA-N 2 2 250.346 0.847 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC001114652002 849346611 /nfs/dbraw/zinc/34/66/11/849346611.db2.gz FKWQPBHPMHRBRX-PJXYFTJBSA-N 2 2 266.320 0.289 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001114652002 849346618 /nfs/dbraw/zinc/34/66/18/849346618.db2.gz FKWQPBHPMHRBRX-PJXYFTJBSA-N 2 2 266.320 0.289 20 0 CCADLP Cc1cc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c(C)nn1 ZINC000720593464 849496270 /nfs/dbraw/zinc/49/62/70/849496270.db2.gz YAXWXDMNUDETLG-HNNXBMFYSA-N 2 2 275.400 0.573 20 0 CCADLP Cc1cc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)c(C)nn1 ZINC000720607315 849502619 /nfs/dbraw/zinc/50/26/19/849502619.db2.gz QQQOYRCPCPTVSJ-ZDUSSCGKSA-N 2 2 250.346 0.643 20 0 CCADLP Cc1cc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)c(C)nn1 ZINC000720607315 849502625 /nfs/dbraw/zinc/50/26/25/849502625.db2.gz QQQOYRCPCPTVSJ-ZDUSSCGKSA-N 2 2 250.346 0.643 20 0 CCADLP C[C@H](F)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000961895603 849520589 /nfs/dbraw/zinc/52/05/89/849520589.db2.gz JVHXOUZNYLZDRY-PQFRYHKHSA-N 2 2 280.347 0.747 20 0 CCADLP C[C@H](F)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000961895603 849520595 /nfs/dbraw/zinc/52/05/95/849520595.db2.gz JVHXOUZNYLZDRY-PQFRYHKHSA-N 2 2 280.347 0.747 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720828176 849545635 /nfs/dbraw/zinc/54/56/35/849545635.db2.gz MGGMOXOMHNKSGB-SDDRHHMPSA-N 2 2 260.378 0.068 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720828176 849545643 /nfs/dbraw/zinc/54/56/43/849545643.db2.gz MGGMOXOMHNKSGB-SDDRHHMPSA-N 2 2 260.378 0.068 20 0 CCADLP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C(=O)NC(C)(C)C ZINC000380994188 849699380 /nfs/dbraw/zinc/69/93/80/849699380.db2.gz HHSBIROQMVEFRY-MCDVFOBDSA-N 2 2 265.401 0.876 20 0 CCADLP COCC[N@@H+]1CC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001038648491 849969279 /nfs/dbraw/zinc/96/92/79/849969279.db2.gz WIFHBTNETHPSHN-CYBMUJFWSA-N 2 2 295.383 0.792 20 0 CCADLP COCC[N@H+]1CC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001038648491 849969288 /nfs/dbraw/zinc/96/92/88/849969288.db2.gz WIFHBTNETHPSHN-CYBMUJFWSA-N 2 2 295.383 0.792 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCCO ZINC001038717146 849993645 /nfs/dbraw/zinc/99/36/45/849993645.db2.gz RQQONKGTXKPTFI-JHJVBQTASA-N 2 2 292.383 0.097 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCCO ZINC001038717146 849993653 /nfs/dbraw/zinc/99/36/53/849993653.db2.gz RQQONKGTXKPTFI-JHJVBQTASA-N 2 2 292.383 0.097 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001041241373 850412094 /nfs/dbraw/zinc/41/20/94/850412094.db2.gz CROVUJFENZBOGH-OAHLLOKOSA-N 2 2 292.383 0.259 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001041241373 850412090 /nfs/dbraw/zinc/41/20/90/850412090.db2.gz CROVUJFENZBOGH-OAHLLOKOSA-N 2 2 292.383 0.259 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@]2(CC[N@@H+](CCCO)C2)C1 ZINC001041758560 850497762 /nfs/dbraw/zinc/49/77/62/850497762.db2.gz LQDPYAKOUMCYQI-OAHLLOKOSA-N 2 2 292.383 0.259 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@]2(CC[N@H+](CCCO)C2)C1 ZINC001041758560 850497768 /nfs/dbraw/zinc/49/77/68/850497768.db2.gz LQDPYAKOUMCYQI-OAHLLOKOSA-N 2 2 292.383 0.259 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001042746476 850750269 /nfs/dbraw/zinc/75/02/69/850750269.db2.gz YVINZQGRGGFWGH-DGCLKSJQSA-N 2 2 269.389 0.116 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001042746476 850750273 /nfs/dbraw/zinc/75/02/73/850750273.db2.gz YVINZQGRGGFWGH-DGCLKSJQSA-N 2 2 269.389 0.116 20 0 CCADLP CC[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001043388014 850866535 /nfs/dbraw/zinc/86/65/35/850866535.db2.gz AOWMXWDPSCNZEE-GLWUULTISA-N 2 2 279.384 0.012 20 0 CCADLP CC[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001043388014 850866541 /nfs/dbraw/zinc/86/65/41/850866541.db2.gz AOWMXWDPSCNZEE-GLWUULTISA-N 2 2 279.384 0.012 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001043873843 850948244 /nfs/dbraw/zinc/94/82/44/850948244.db2.gz CZXPOUKHWPOCFU-LBPRGKRZSA-N 2 2 269.389 0.117 20 0 CCADLP CN(C(=O)Cc1c[nH+]cn1C)C1C[NH+](CCC2CC2)C1 ZINC001044191068 851037965 /nfs/dbraw/zinc/03/79/65/851037965.db2.gz NKPKTKWGBMECDV-UHFFFAOYSA-N 2 2 276.384 0.905 20 0 CCADLP C[C@]1(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC[N@H+](CCO)C1 ZINC001046427143 851497122 /nfs/dbraw/zinc/49/71/22/851497122.db2.gz WMNDNYHZHNJDKE-DOMZBBRYSA-N 2 2 292.383 0.018 20 0 CCADLP C[C@]1(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC[N@@H+](CCO)C1 ZINC001046427143 851497129 /nfs/dbraw/zinc/49/71/29/851497129.db2.gz WMNDNYHZHNJDKE-DOMZBBRYSA-N 2 2 292.383 0.018 20 0 CCADLP C[C@]1(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC[N@H+](CCO)C1 ZINC001046608951 851565525 /nfs/dbraw/zinc/56/55/25/851565525.db2.gz GYHCDDUNUQDSQX-NHYWBVRUSA-N 2 2 292.383 0.403 20 0 CCADLP C[C@]1(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC[N@@H+](CCO)C1 ZINC001046608951 851565529 /nfs/dbraw/zinc/56/55/29/851565529.db2.gz GYHCDDUNUQDSQX-NHYWBVRUSA-N 2 2 292.383 0.403 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCF)C2 ZINC001047150813 851674323 /nfs/dbraw/zinc/67/43/23/851674323.db2.gz SUYYSVQEYMJRRJ-GVXVVHGQSA-N 2 2 280.347 0.891 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCF)C2 ZINC001047150813 851674330 /nfs/dbraw/zinc/67/43/30/851674330.db2.gz SUYYSVQEYMJRRJ-GVXVVHGQSA-N 2 2 280.347 0.891 20 0 CCADLP CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001047987657 851880956 /nfs/dbraw/zinc/88/09/56/851880956.db2.gz JDKJJPLQEQJEAV-GHMZBOCLSA-N 2 2 250.346 0.799 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001048448756 851958382 /nfs/dbraw/zinc/95/83/82/851958382.db2.gz BRNBMYGPQAIISF-CMPLNLGQSA-N 2 2 264.373 0.965 20 0 CCADLP CC[N@H+]1C[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001048970209 852123614 /nfs/dbraw/zinc/12/36/14/852123614.db2.gz ICVBIFNXIWAPLP-BETUJISGSA-N 2 2 262.357 0.683 20 0 CCADLP CC[N@@H+]1C[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001048970209 852123616 /nfs/dbraw/zinc/12/36/16/852123616.db2.gz ICVBIFNXIWAPLP-BETUJISGSA-N 2 2 262.357 0.683 20 0 CCADLP COC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001049248440 852204045 /nfs/dbraw/zinc/20/40/45/852204045.db2.gz ZCLAXTSVTDOFFJ-MCIONIFRSA-N 2 2 292.383 0.308 20 0 CCADLP COC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001049248440 852204055 /nfs/dbraw/zinc/20/40/55/852204055.db2.gz ZCLAXTSVTDOFFJ-MCIONIFRSA-N 2 2 292.383 0.308 20 0 CCADLP CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001049390579 852256527 /nfs/dbraw/zinc/25/65/27/852256527.db2.gz BYULIAKSMFZBRN-ZNMIVQPWSA-N 2 2 295.427 0.792 20 0 CCADLP CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001049390579 852256536 /nfs/dbraw/zinc/25/65/36/852256536.db2.gz BYULIAKSMFZBRN-ZNMIVQPWSA-N 2 2 295.427 0.792 20 0 CCADLP CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001049390579 852256545 /nfs/dbraw/zinc/25/65/45/852256545.db2.gz BYULIAKSMFZBRN-ZNMIVQPWSA-N 2 2 295.427 0.792 20 0 CCADLP CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001049390579 852256559 /nfs/dbraw/zinc/25/65/59/852256559.db2.gz BYULIAKSMFZBRN-ZNMIVQPWSA-N 2 2 295.427 0.792 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCO ZINC001049511841 852300455 /nfs/dbraw/zinc/30/04/55/852300455.db2.gz PZERLNFUVGWASX-KBPBESRZSA-N 2 2 292.383 0.400 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCO ZINC001049511841 852300464 /nfs/dbraw/zinc/30/04/64/852300464.db2.gz PZERLNFUVGWASX-KBPBESRZSA-N 2 2 292.383 0.400 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCO ZINC001049511841 852300474 /nfs/dbraw/zinc/30/04/74/852300474.db2.gz PZERLNFUVGWASX-KBPBESRZSA-N 2 2 292.383 0.400 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCO ZINC001049511841 852300485 /nfs/dbraw/zinc/30/04/85/852300485.db2.gz PZERLNFUVGWASX-KBPBESRZSA-N 2 2 292.383 0.400 20 0 CCADLP CCOC(=O)C[NH+]1CCC(N2CC([NH+]3CCCC3)C2)CC1 ZINC001254407040 852552221 /nfs/dbraw/zinc/55/22/21/852552221.db2.gz YEGRZKDDFXNNPC-UHFFFAOYSA-N 2 2 295.427 0.794 20 0 CCADLP CO[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001052823755 852659169 /nfs/dbraw/zinc/65/91/69/852659169.db2.gz NDMKNYGAENDKFD-CHWSQXEVSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@H](C)C[N@H+]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001052823755 852659172 /nfs/dbraw/zinc/65/91/72/852659172.db2.gz NDMKNYGAENDKFD-CHWSQXEVSA-N 2 2 294.399 0.958 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)CCO2 ZINC001053429291 852742398 /nfs/dbraw/zinc/74/23/98/852742398.db2.gz KSZYWENKGYXGRB-ZIAGYGMSSA-N 2 2 295.427 0.507 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)CCO2 ZINC001053429291 852742402 /nfs/dbraw/zinc/74/24/02/852742402.db2.gz KSZYWENKGYXGRB-ZIAGYGMSSA-N 2 2 295.427 0.507 20 0 CCADLP CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)CO2 ZINC001053847006 852832237 /nfs/dbraw/zinc/83/22/37/852832237.db2.gz VEKMSXCBIBOODD-KGLIPLIRSA-N 2 2 295.427 0.840 20 0 CCADLP CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)CO2 ZINC001053847006 852832240 /nfs/dbraw/zinc/83/22/40/852832240.db2.gz VEKMSXCBIBOODD-KGLIPLIRSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@H](CC[S@](C)=O)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000380077165 852832628 /nfs/dbraw/zinc/83/26/28/852832628.db2.gz RKWJXLHJMZCXKX-HSOHIQCKSA-N 2 2 262.419 0.188 20 0 CCADLP C[C@H](CC[S@](C)=O)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000380077165 852832634 /nfs/dbraw/zinc/83/26/34/852832634.db2.gz RKWJXLHJMZCXKX-HSOHIQCKSA-N 2 2 262.419 0.188 20 0 CCADLP CCCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1cc[nH+]c1)CO2 ZINC001054024654 852870840 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CC(C)CC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001050848568 853461160 /nfs/dbraw/zinc/46/11/60/853461160.db2.gz LHUCINYNYPMRID-GJZGRUSLSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)CC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001050848568 853461161 /nfs/dbraw/zinc/46/11/61/853461161.db2.gz LHUCINYNYPMRID-GJZGRUSLSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001051648924 853616167 /nfs/dbraw/zinc/61/61/67/853616167.db2.gz YQRJUPGFDUIHCV-CYBMUJFWSA-N 2 2 280.372 0.568 20 0 CCADLP CC(C)[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC001051648924 853616170 /nfs/dbraw/zinc/61/61/70/853616170.db2.gz YQRJUPGFDUIHCV-CYBMUJFWSA-N 2 2 280.372 0.568 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCO[C@@H](C[NH2+]CC2CCC2)C1 ZINC001051952527 853662831 /nfs/dbraw/zinc/66/28/31/853662831.db2.gz ZPWNUPKXJXEZKA-AWEZNQCLSA-N 2 2 292.383 0.500 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnc(C[NH3+])s1 ZINC000720205840 854505021 /nfs/dbraw/zinc/50/50/21/854505021.db2.gz WFAJSXQEDKFNNF-SECBINFHSA-N 2 2 268.386 0.816 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CNC(=O)c1cnc(C[NH3+])s1 ZINC000720205840 854505028 /nfs/dbraw/zinc/50/50/28/854505028.db2.gz WFAJSXQEDKFNNF-SECBINFHSA-N 2 2 268.386 0.816 20 0 CCADLP CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001074327578 854711791 /nfs/dbraw/zinc/71/17/91/854711791.db2.gz VYRRINUYYZAXMK-HUUCEWRRSA-N 2 2 295.427 0.650 20 0 CCADLP CC[N@H+]1CCO[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001074327578 854711797 /nfs/dbraw/zinc/71/17/97/854711797.db2.gz VYRRINUYYZAXMK-HUUCEWRRSA-N 2 2 295.427 0.650 20 0 CCADLP CC[N@@H+]1CCO[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001074384915 854723135 /nfs/dbraw/zinc/72/31/35/854723135.db2.gz OSQWRJVOXYVETC-KGLIPLIRSA-N 2 2 293.411 0.404 20 0 CCADLP CC[N@H+]1CCO[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001074384915 854723139 /nfs/dbraw/zinc/72/31/39/854723139.db2.gz OSQWRJVOXYVETC-KGLIPLIRSA-N 2 2 293.411 0.404 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC001074680628 854765764 /nfs/dbraw/zinc/76/57/64/854765764.db2.gz GJIFNDIIOCJWIN-MDZLAQPJSA-N 2 2 280.372 0.302 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC001074680628 854765770 /nfs/dbraw/zinc/76/57/70/854765770.db2.gz GJIFNDIIOCJWIN-MDZLAQPJSA-N 2 2 280.372 0.302 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001099871906 855013842 /nfs/dbraw/zinc/01/38/42/855013842.db2.gz LYXMWLINXJOGTH-QWHCGFSZSA-N 2 2 280.372 0.304 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001099871906 855013846 /nfs/dbraw/zinc/01/38/46/855013846.db2.gz LYXMWLINXJOGTH-QWHCGFSZSA-N 2 2 280.372 0.304 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](O)C1 ZINC001099871906 855013847 /nfs/dbraw/zinc/01/38/47/855013847.db2.gz LYXMWLINXJOGTH-QWHCGFSZSA-N 2 2 280.372 0.304 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](O)C1 ZINC001099871906 855013851 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CCADLP CC(C)[N@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001099929056 855034636 /nfs/dbraw/zinc/03/46/36/855034636.db2.gz RULLFIVAWZLKBY-STQMWFEESA-N 2 2 294.399 0.313 20 0 CCADLP CCCC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099940371 855039474 /nfs/dbraw/zinc/03/94/74/855039474.db2.gz UKKFXFQXXSUBMJ-UONOGXRCSA-N 2 2 294.399 0.625 20 0 CCADLP CCCC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099940371 855039485 /nfs/dbraw/zinc/03/94/85/855039485.db2.gz UKKFXFQXXSUBMJ-UONOGXRCSA-N 2 2 294.399 0.625 20 0 CCADLP CO[C@@H](C)C[NH2+]C1CC(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001100293429 855139389 /nfs/dbraw/zinc/13/93/89/855139389.db2.gz SWTKZNQLKYMSTK-HIFPTAJRSA-N 2 2 294.399 0.862 20 0 CCADLP C[C@H](O)CCC[NH2+]C1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001100710443 855213084 /nfs/dbraw/zinc/21/30/84/855213084.db2.gz RTYKMYIKLYMKBO-HIFPTAJRSA-N 2 2 294.399 0.598 20 0 CCADLP CC[C@@H](C[NH2+]C1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1)OC ZINC001100710555 855213520 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C[C@@H]1C[N@@H+](CCCO)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001102513593 855442673 /nfs/dbraw/zinc/44/26/73/855442673.db2.gz SBFYBSOJFTXSOT-CHWSQXEVSA-N 2 2 294.399 0.029 20 0 CCADLP C[C@@H]1C[N@H+](CCO)C[C@H]1CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001103574474 855523145 /nfs/dbraw/zinc/52/31/45/855523145.db2.gz RNJFRYQBEPPTOQ-VXGBXAGGSA-N 2 2 280.372 0.019 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)C[C@H]1CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001103574474 855523149 /nfs/dbraw/zinc/52/31/49/855523149.db2.gz RNJFRYQBEPPTOQ-VXGBXAGGSA-N 2 2 280.372 0.019 20 0 CCADLP COC1(OC)CCOC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000698394891 855624648 /nfs/dbraw/zinc/62/46/48/855624648.db2.gz HKXQGRDZBFOJEC-LBPRGKRZSA-N 2 2 269.345 0.641 20 0 CCADLP COC1(OC)CCOC[C@@H]1[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000698382586 855624667 /nfs/dbraw/zinc/62/46/67/855624667.db2.gz XIGNVAAKJGJACS-OLZOCXBDSA-N 2 2 272.389 0.838 20 0 CCADLP COC1(OC)CCOC[C@@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000698382586 855624669 /nfs/dbraw/zinc/62/46/69/855624669.db2.gz XIGNVAAKJGJACS-OLZOCXBDSA-N 2 2 272.389 0.838 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001116130892 855722119 /nfs/dbraw/zinc/72/21/19/855722119.db2.gz ZZXWDMGHETYYJS-LBPRGKRZSA-N 2 2 268.361 0.529 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001116130892 855722126 /nfs/dbraw/zinc/72/21/26/855722126.db2.gz ZZXWDMGHETYYJS-LBPRGKRZSA-N 2 2 268.361 0.529 20 0 CCADLP C[NH2+]CCC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001118136336 856172339 /nfs/dbraw/zinc/17/23/39/856172339.db2.gz RHGJXVKOPDYAAQ-LBPRGKRZSA-N 2 2 264.373 0.811 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1c[nH+]c(C)cc1C ZINC001118486634 856310800 /nfs/dbraw/zinc/31/08/00/856310800.db2.gz OOKLNRLPLSSJQC-NSHDSACASA-N 2 2 278.356 0.039 20 0 CCADLP c1ncc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cn1 ZINC001118628427 856372349 /nfs/dbraw/zinc/37/23/49/856372349.db2.gz KSZOZFSCESNJFF-AWEZNQCLSA-N 2 2 262.357 0.820 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC001119484406 856702076 /nfs/dbraw/zinc/70/20/76/856702076.db2.gz YPKPMSHUXFAJMA-NSHDSACASA-N 2 2 263.345 0.456 20 0 CCADLP CON1CC[C@H]([N@H+]2CCC[C@@H]([NH+](C)C)CC2)C1=O ZINC001119850931 856896029 /nfs/dbraw/zinc/89/60/29/856896029.db2.gz GZJYRWZOMOLZDF-NEPJUHHUSA-N 2 2 255.362 0.565 20 0 CCADLP CON1CC[C@H]([N@@H+]2CCC[C@@H]([NH+](C)C)CC2)C1=O ZINC001119850931 856896024 /nfs/dbraw/zinc/89/60/24/856896024.db2.gz GZJYRWZOMOLZDF-NEPJUHHUSA-N 2 2 255.362 0.565 20 0 CCADLP CCOC[C@H](O)C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001120472326 857081956 /nfs/dbraw/zinc/08/19/56/857081956.db2.gz KEOXSGBIYPRXRV-MCIONIFRSA-N 2 2 256.390 0.990 20 0 CCADLP CCOC[C@H](O)C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001120472326 857081965 /nfs/dbraw/zinc/08/19/65/857081965.db2.gz KEOXSGBIYPRXRV-MCIONIFRSA-N 2 2 256.390 0.990 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]C[C@@H](O)c1ccccn1 ZINC001120504690 857097959 /nfs/dbraw/zinc/09/79/59/857097959.db2.gz UCWSODDLPDSLGL-OLZOCXBDSA-N 2 2 253.346 0.017 20 0 CCADLP CC[NH+](CC)C[C@H](F)C(=O)N(C)C1C[NH+](C[C@@H](C)O)C1 ZINC001393005967 912319033 /nfs/dbraw/zinc/31/90/33/912319033.db2.gz OPNRASKXKVEWQH-YPMHNXCESA-N 2 2 289.395 0.190 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@]1(O)CC[N@H+](CCCF)C1 ZINC001393293970 912501988 /nfs/dbraw/zinc/50/19/88/912501988.db2.gz SFMLYZMVGNTAJS-CQSZACIVSA-N 2 2 298.362 0.173 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@]1(O)CC[N@@H+](CCCF)C1 ZINC001393293970 912502002 /nfs/dbraw/zinc/50/20/02/912502002.db2.gz SFMLYZMVGNTAJS-CQSZACIVSA-N 2 2 298.362 0.173 20 0 CCADLP C[C@H](C(=O)NCCC[NH+]1CCC(O)CC1)n1cc[nH+]c1 ZINC001323903558 912575005 /nfs/dbraw/zinc/57/50/05/912575005.db2.gz FHJAZXPAFMKBEX-GFCCVEGCSA-N 2 2 280.372 0.407 20 0 CCADLP CCOCC[NH+]1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001323980569 912609331 /nfs/dbraw/zinc/60/93/31/912609331.db2.gz DCVMZDFJWKKGMF-CYBMUJFWSA-N 2 2 283.416 0.507 20 0 CCADLP CCOCC[NH+]1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001323980569 912609337 /nfs/dbraw/zinc/60/93/37/912609337.db2.gz DCVMZDFJWKKGMF-CYBMUJFWSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@@H](F)CC[N@@H+]1CCOC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001393529523 912629522 /nfs/dbraw/zinc/62/95/22/912629522.db2.gz UCNSYDPCWMSQHO-OLZOCXBDSA-N 2 2 289.395 0.503 20 0 CCADLP C[C@@H](F)CC[N@H+]1CCOC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001393529523 912629533 /nfs/dbraw/zinc/62/95/33/912629533.db2.gz UCNSYDPCWMSQHO-OLZOCXBDSA-N 2 2 289.395 0.503 20 0 CCADLP COCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001324233280 912732689 /nfs/dbraw/zinc/73/26/89/912732689.db2.gz AAGOODIGCHBYIU-OCCSQVGLSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001324233280 912732701 /nfs/dbraw/zinc/73/27/01/912732701.db2.gz AAGOODIGCHBYIU-OCCSQVGLSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cnn(C)c1 ZINC001393833436 912787218 /nfs/dbraw/zinc/78/72/18/912787218.db2.gz NVYZHJRSKUWMKJ-LBPRGKRZSA-N 2 2 290.371 0.301 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001394378077 913151642 /nfs/dbraw/zinc/15/16/42/913151642.db2.gz ZKFDTOATBGIWTI-MGPQQGTHSA-N 2 2 294.399 0.793 20 0 CCADLP CC[N@H+](CCCO)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001480984180 892013661 /nfs/dbraw/zinc/01/36/61/892013661.db2.gz VHTWWDZWWBBTDG-ZDUSSCGKSA-N 2 2 294.399 0.266 20 0 CCADLP CC[N@@H+](CCCO)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001480984180 892013673 /nfs/dbraw/zinc/01/36/73/892013673.db2.gz VHTWWDZWWBBTDG-ZDUSSCGKSA-N 2 2 294.399 0.266 20 0 CCADLP CC[NH2+]CCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001481248462 892433775 /nfs/dbraw/zinc/43/37/75/892433775.db2.gz PROIZOAYNGKJOL-LLVKDONJSA-N 2 2 250.346 0.513 20 0 CCADLP CC(C)[C@@H](C(=O)NCC1C[NH+](CCF)C1)[NH+](C)C ZINC001481656774 892974770 /nfs/dbraw/zinc/97/47/70/892974770.db2.gz ZIWPYMSHPKOLGZ-LBPRGKRZSA-N 2 2 259.369 0.590 20 0 CCADLP C[C@H](C[NH3+])C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001326063162 913728110 /nfs/dbraw/zinc/72/81/10/913728110.db2.gz YNUBLEXDLBGPSQ-VXGBXAGGSA-N 2 2 264.373 0.796 20 0 CCADLP CCOCC[NH2+]CC1(NC(=O)Cn2cc[nH+]c2)CCCC1 ZINC001481913160 893257840 /nfs/dbraw/zinc/25/78/40/893257840.db2.gz PPRCFKVWLLZOAA-UHFFFAOYSA-N 2 2 294.399 0.938 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@H]([NH2+]CCCO)CC1 ZINC001482028009 893317216 /nfs/dbraw/zinc/31/72/16/893317216.db2.gz XOJCUOOMMHKNRI-JOCQHMNTSA-N 2 2 280.372 0.283 20 0 CCADLP CC(C)=CC[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001482206792 893545350 /nfs/dbraw/zinc/54/53/50/893545350.db2.gz ZFNUOZSOYMELFN-HNNXBMFYSA-N 2 2 295.427 0.865 20 0 CCADLP CC(C)=CC[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001482206792 893545376 /nfs/dbraw/zinc/54/53/76/893545376.db2.gz ZFNUOZSOYMELFN-HNNXBMFYSA-N 2 2 295.427 0.865 20 0 CCADLP CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001284446572 893563885 /nfs/dbraw/zinc/56/38/85/893563885.db2.gz KVDNOKSIVCDTLS-DGCLKSJQSA-N 2 2 282.388 0.407 20 0 CCADLP CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001284446572 893563902 /nfs/dbraw/zinc/56/39/02/893563902.db2.gz KVDNOKSIVCDTLS-DGCLKSJQSA-N 2 2 282.388 0.407 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1CC([NH2+]CCCO)C1 ZINC001284799331 893707373 /nfs/dbraw/zinc/70/73/73/893707373.db2.gz GXVNKIZJUBBDAU-LKSINWNRSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1CC([NH2+]CCCO)C1 ZINC001284799331 893707384 /nfs/dbraw/zinc/70/73/84/893707384.db2.gz GXVNKIZJUBBDAU-LKSINWNRSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@@H](CC(=O)NC[C@@H](O)C[NH2+]CC1CC1)n1cc[nH+]c1 ZINC001482772637 894590392 /nfs/dbraw/zinc/59/03/92/894590392.db2.gz HYDHMJLDGFSPJK-AAEUAGOBSA-N 2 2 280.372 0.311 20 0 CCADLP Cc1conc1C[NH2+]C/C=C/CNC(=O)CC[NH+](C)C ZINC001483053361 894854258 /nfs/dbraw/zinc/85/42/58/894854258.db2.gz DRXKOISRSLIYMG-SNAWJCMRSA-N 2 2 280.372 0.697 20 0 CCADLP COC[C@H](C)[NH2+]C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001483190201 895077170 /nfs/dbraw/zinc/07/71/70/895077170.db2.gz HZXKIFCWIZOTDD-NEPJUHHUSA-N 2 2 282.388 0.482 20 0 CCADLP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)[NH2+]Cc1csnn1 ZINC001409442927 895185862 /nfs/dbraw/zinc/18/58/62/895185862.db2.gz CEUSNOOLSXPOMS-GHMZBOCLSA-N 2 2 297.428 0.617 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnsn1)NC(=O)C1([NH+](C)C)CCC1 ZINC001483234240 895188181 /nfs/dbraw/zinc/18/81/81/895188181.db2.gz NLZRJCKILLHHPL-JTQLQIEISA-N 2 2 297.428 0.617 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)C[C@H]1CCOC1 ZINC001409687446 895329956 /nfs/dbraw/zinc/32/99/56/895329956.db2.gz FFCYVBZEKCWBMG-QWHCGFSZSA-N 2 2 280.372 0.356 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)C[C@H]1CCOC1 ZINC001409687446 895329973 /nfs/dbraw/zinc/32/99/73/895329973.db2.gz FFCYVBZEKCWBMG-QWHCGFSZSA-N 2 2 280.372 0.356 20 0 CCADLP CCCC[NH2+][C@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001507256792 895502320 /nfs/dbraw/zinc/50/23/20/895502320.db2.gz OGKGCFYPJBTYPA-NSHDSACASA-N 2 2 268.361 0.127 20 0 CCADLP C[C@H](C[N@H+](C)C[C@@H]1CCOC1)NC(=O)Cc1c[nH+]cn1C ZINC001483409732 895545965 /nfs/dbraw/zinc/54/59/65/895545965.db2.gz TVFVYBGBCPXGET-OLZOCXBDSA-N 2 2 294.399 0.436 20 0 CCADLP C[C@H](C[N@@H+](C)C[C@@H]1CCOC1)NC(=O)Cc1c[nH+]cn1C ZINC001483409732 895545980 /nfs/dbraw/zinc/54/59/80/895545980.db2.gz TVFVYBGBCPXGET-OLZOCXBDSA-N 2 2 294.399 0.436 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NC[C@H]1CC[N@H+]1CCCO ZINC001483705795 895884521 /nfs/dbraw/zinc/88/45/21/895884521.db2.gz JNIOLTCMRBZSIP-CYBMUJFWSA-N 2 2 280.372 0.236 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NC[C@H]1CC[N@@H+]1CCCO ZINC001483705795 895884532 /nfs/dbraw/zinc/88/45/32/895884532.db2.gz JNIOLTCMRBZSIP-CYBMUJFWSA-N 2 2 280.372 0.236 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1([NH2+]CCOC2CCC2)CC1 ZINC001483796104 896058209 /nfs/dbraw/zinc/05/82/09/896058209.db2.gz BQTNXJFNRFUNLW-UHFFFAOYSA-N 2 2 292.383 0.691 20 0 CCADLP CCCC[N@@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001484246264 896277993 /nfs/dbraw/zinc/27/79/93/896277993.db2.gz HTIPEWNNRDIHFJ-OAHLLOKOSA-N 2 2 294.399 0.316 20 0 CCADLP CCCC[N@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001484246264 896278002 /nfs/dbraw/zinc/27/80/02/896278002.db2.gz HTIPEWNNRDIHFJ-OAHLLOKOSA-N 2 2 294.399 0.316 20 0 CCADLP COCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001484347803 896349760 /nfs/dbraw/zinc/34/97/60/896349760.db2.gz KGCFGAIRMZAFHS-RYUDHWBXSA-N 2 2 280.372 0.425 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+]CCC[C@@H](C)O ZINC001493775762 896366046 /nfs/dbraw/zinc/36/60/46/896366046.db2.gz VWPAJXASWMMGGW-LLVKDONJSA-N 2 2 282.388 0.470 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)CCC[NH+](C)C)CCO2 ZINC001484776983 896597612 /nfs/dbraw/zinc/59/76/12/896597612.db2.gz DZFUFVKQPMIYOV-UHFFFAOYSA-N 2 2 283.416 0.651 20 0 CCADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CO2 ZINC001484806192 896612595 /nfs/dbraw/zinc/61/25/95/896612595.db2.gz ZXUXSLDJVTVZPV-GFCCVEGCSA-N 2 2 269.389 0.306 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cnsn1 ZINC001485215019 896853691 /nfs/dbraw/zinc/85/36/91/896853691.db2.gz ISEXGWZPAQPNJE-MNOVXSKESA-N 2 2 299.444 0.863 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cnsn1 ZINC001485215019 896853698 /nfs/dbraw/zinc/85/36/98/896853698.db2.gz ISEXGWZPAQPNJE-MNOVXSKESA-N 2 2 299.444 0.863 20 0 CCADLP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]Cc1ccnn1C ZINC001485204792 896863869 /nfs/dbraw/zinc/86/38/69/896863869.db2.gz LMNDITIZCOVVGW-QWRGUYRKSA-N 2 2 290.371 0.369 20 0 CCADLP Cc1oncc1C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001485206952 896867488 /nfs/dbraw/zinc/86/74/88/896867488.db2.gz BVJOKFOOVVYTFO-NXEZZACHSA-N 2 2 291.355 0.932 20 0 CCADLP Cc1conc1C[NH2+][C@@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001485233192 896880428 /nfs/dbraw/zinc/88/04/28/896880428.db2.gz COZYBELCVCEQAL-RYUDHWBXSA-N 2 2 291.355 0.863 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001326745362 914136347 /nfs/dbraw/zinc/13/63/47/914136347.db2.gz WYEYWYXALJKEDG-NEPJUHHUSA-N 2 2 264.373 0.998 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001326745362 914136354 /nfs/dbraw/zinc/13/63/54/914136354.db2.gz WYEYWYXALJKEDG-NEPJUHHUSA-N 2 2 264.373 0.998 20 0 CCADLP CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001032473125 897611074 /nfs/dbraw/zinc/61/10/74/897611074.db2.gz CIPADOFYGFTVJA-MROQNXINSA-N 2 2 267.373 0.011 20 0 CCADLP CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001032473125 897611080 /nfs/dbraw/zinc/61/10/80/897611080.db2.gz CIPADOFYGFTVJA-MROQNXINSA-N 2 2 267.373 0.011 20 0 CCADLP CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001032473125 897611086 /nfs/dbraw/zinc/61/10/86/897611086.db2.gz CIPADOFYGFTVJA-MROQNXINSA-N 2 2 267.373 0.011 20 0 CCADLP CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001032473125 897611092 /nfs/dbraw/zinc/61/10/92/897611092.db2.gz CIPADOFYGFTVJA-MROQNXINSA-N 2 2 267.373 0.011 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCF)O1 ZINC001032473585 897615262 /nfs/dbraw/zinc/61/52/62/897615262.db2.gz VNQARGNUWJPPDC-ZOBORPQBSA-N 2 2 299.390 0.350 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCF)O1 ZINC001032473585 897615265 /nfs/dbraw/zinc/61/52/65/897615265.db2.gz VNQARGNUWJPPDC-ZOBORPQBSA-N 2 2 299.390 0.350 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCF)O1 ZINC001032473585 897615273 /nfs/dbraw/zinc/61/52/73/897615273.db2.gz VNQARGNUWJPPDC-ZOBORPQBSA-N 2 2 299.390 0.350 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCF)O1 ZINC001032473585 897615277 /nfs/dbraw/zinc/61/52/77/897615277.db2.gz VNQARGNUWJPPDC-ZOBORPQBSA-N 2 2 299.390 0.350 20 0 CCADLP COC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1c[nH+]cc1C ZINC001032521964 897700625 /nfs/dbraw/zinc/70/06/25/897700625.db2.gz OCFMXYWPZJFDMR-IHRRRGAJSA-N 2 2 292.383 0.512 20 0 CCADLP COC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1c[nH+]cc1C ZINC001032521964 897700632 /nfs/dbraw/zinc/70/06/32/897700632.db2.gz OCFMXYWPZJFDMR-IHRRRGAJSA-N 2 2 292.383 0.512 20 0 CCADLP C[C@H](F)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]cn1C ZINC001032733150 898030091 /nfs/dbraw/zinc/03/00/91/898030091.db2.gz MDJAHTVGLOIWOC-UBHSHLNASA-N 2 2 294.374 0.996 20 0 CCADLP C[C@H](F)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]cn1C ZINC001032733150 898030099 /nfs/dbraw/zinc/03/00/99/898030099.db2.gz MDJAHTVGLOIWOC-UBHSHLNASA-N 2 2 294.374 0.996 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001043098608 898050589 /nfs/dbraw/zinc/05/05/89/898050589.db2.gz CBEDGINTMZSSAR-JSGCOSHPSA-N 2 2 283.416 0.648 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001043098608 898050600 /nfs/dbraw/zinc/05/06/00/898050600.db2.gz CBEDGINTMZSSAR-JSGCOSHPSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCCO)CN1C(=O)CCn1cc[nH+]c1 ZINC001486118200 898675028 /nfs/dbraw/zinc/67/50/28/898675028.db2.gz PBAUOJYVHWKHNX-CHWSQXEVSA-N 2 2 280.372 0.235 20 0 CCADLP COCCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001486213120 898716786 /nfs/dbraw/zinc/71/67/86/898716786.db2.gz UAQWOELAOXXJPI-CHWSQXEVSA-N 2 2 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/nfs/dbraw/zinc/47/21/89/905472189.db2.gz IBBIIZHHXJAATE-GFCCVEGCSA-N 2 2 296.419 0.093 20 0 CCADLP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](C)Cc1cnnn1C ZINC001378170365 905472196 /nfs/dbraw/zinc/47/21/96/905472196.db2.gz IBBIIZHHXJAATE-GFCCVEGCSA-N 2 2 296.419 0.093 20 0 CCADLP CCCC[NH+]1CC(CCO)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001378352172 905605257 /nfs/dbraw/zinc/60/52/57/905605257.db2.gz BPNRQMWAEGMZIK-UHFFFAOYSA-N 2 2 294.399 0.545 20 0 CCADLP C[C@H](O)C[NH2+]C1(CNC(=O)CCc2c[nH]c[nH+]2)CCCC1 ZINC001378690373 905763451 /nfs/dbraw/zinc/76/34/51/905763451.db2.gz FOTSYPAOBKDWJI-LBPRGKRZSA-N 2 2 294.399 0.742 20 0 CCADLP C[C@H](O)C[NH2+]C1(CNC(=O)CCc2c[nH+]c[nH]2)CCCC1 ZINC001378690373 905763464 /nfs/dbraw/zinc/76/34/64/905763464.db2.gz FOTSYPAOBKDWJI-LBPRGKRZSA-N 2 2 294.399 0.742 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCN(c2nccnc2C[NH3+])C1 ZINC001337092632 921183510 /nfs/dbraw/zinc/18/35/10/921183510.db2.gz QTRAFNTUUHHXPR-JTQLQIEISA-N 2 2 258.329 0.663 20 0 CCADLP OC1CC2(C[C@@H]2[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC001333824053 906115946 /nfs/dbraw/zinc/11/59/46/906115946.db2.gz AIXNKHNOUAITMW-JLVJUDLZSA-N 2 2 266.385 0.743 20 0 CCADLP Cc1cccnc1C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001379426703 906234882 /nfs/dbraw/zinc/23/48/82/906234882.db2.gz AEBQMPROMYLMPP-GFCCVEGCSA-N 2 2 287.367 0.950 20 0 CCADLP C[C@@H](C[N@H+](C)C[C@H]1CCOC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001379757749 906467296 /nfs/dbraw/zinc/46/72/96/906467296.db2.gz WFOLLHWLYNQMRB-NWDGAFQWSA-N 2 2 280.372 0.425 20 0 CCADLP C[C@@H](C[N@@H+](C)C[C@H]1CCOC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001379757749 906467303 /nfs/dbraw/zinc/46/73/03/906467303.db2.gz WFOLLHWLYNQMRB-NWDGAFQWSA-N 2 2 280.372 0.425 20 0 CCADLP C[C@@H]1CC[N@H+](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001293958777 906537370 /nfs/dbraw/zinc/53/73/70/906537370.db2.gz GTGYEITYPZUBKD-LLVKDONJSA-N 2 2 250.346 0.800 20 0 CCADLP C[C@@H]1CC[N@@H+](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001293958777 906537380 /nfs/dbraw/zinc/53/73/80/906537380.db2.gz GTGYEITYPZUBKD-LLVKDONJSA-N 2 2 250.346 0.800 20 0 CCADLP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+]1Cc1cnn(C)c1)[NH+](C)C ZINC001380006022 906586246 /nfs/dbraw/zinc/58/62/46/906586246.db2.gz FBFIWDVWQGYEJN-KGLIPLIRSA-N 2 2 293.415 0.451 20 0 CCADLP CC[C@@H](C(=O)NC[C@H]1CC[N@H+]1Cc1cnn(C)c1)[NH+](C)C ZINC001380006022 906586258 /nfs/dbraw/zinc/58/62/58/906586258.db2.gz FBFIWDVWQGYEJN-KGLIPLIRSA-N 2 2 293.415 0.451 20 0 CCADLP CC[C@@H](C[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2)C1)OC ZINC001380180126 906667663 /nfs/dbraw/zinc/66/76/63/906667663.db2.gz JUUCXDHANRKYBK-RUXDESIVSA-N 2 2 294.399 0.887 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001380226881 906683623 /nfs/dbraw/zinc/68/36/23/906683623.db2.gz AGKWOKXLTUQKGK-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001380226881 906683630 /nfs/dbraw/zinc/68/36/30/906683630.db2.gz AGKWOKXLTUQKGK-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001380302088 906722900 /nfs/dbraw/zinc/72/29/00/906722900.db2.gz SJNJZRSCMCQKSL-KBPBESRZSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@@H](O)C[NH2+]CC1CC(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001381341525 907161443 /nfs/dbraw/zinc/16/14/43/907161443.db2.gz LRFYVSUWAKCEEU-IYXRBSQSSA-N 2 2 294.399 0.529 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]2CCCC2)o1 ZINC001381455492 907211559 /nfs/dbraw/zinc/21/15/59/907211559.db2.gz VYSHWBZPODCLIE-WDEREUQCSA-N 2 2 295.387 0.457 20 0 CCADLP C[C@H](CC(=O)N[C@@H]1C[N@H+](CCO)CC1(C)C)n1cc[nH+]c1 ZINC001381871476 907436763 /nfs/dbraw/zinc/43/67/63/907436763.db2.gz JDZJSKUAJGORBG-CHWSQXEVSA-N 2 2 294.399 0.653 20 0 CCADLP C[C@H](CC(=O)N[C@@H]1C[N@@H+](CCO)CC1(C)C)n1cc[nH+]c1 ZINC001381871476 907436775 /nfs/dbraw/zinc/43/67/75/907436775.db2.gz JDZJSKUAJGORBG-CHWSQXEVSA-N 2 2 294.399 0.653 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+][C@@H](C)c1nnc(C)o1 ZINC001491649338 907482821 /nfs/dbraw/zinc/48/28/21/907482821.db2.gz LLZUJDUTUGUQIZ-QWRGUYRKSA-N 2 2 297.403 0.875 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+][C@@H](C)c1nnc(C)o1 ZINC001491649338 907482824 /nfs/dbraw/zinc/48/28/24/907482824.db2.gz LLZUJDUTUGUQIZ-QWRGUYRKSA-N 2 2 297.403 0.875 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1ncccn1 ZINC001491650702 907484646 /nfs/dbraw/zinc/48/46/46/907484646.db2.gz SCBMHJMOFKQOCZ-LBPRGKRZSA-N 2 2 279.388 0.413 20 0 CCADLP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]C[C@H]1CCCOC1 ZINC001382112496 907554372 /nfs/dbraw/zinc/55/43/72/907554372.db2.gz AHGOJIFLIUWKGI-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1cnon1)[NH+](C)C ZINC001382137220 907567764 /nfs/dbraw/zinc/56/77/64/907567764.db2.gz XUTWMRGNPNSLKD-JQWIXIFHSA-N 2 2 283.376 0.346 20 0 CCADLP CCC[NH2+][C@H](CO)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001382221544 907628191 /nfs/dbraw/zinc/62/81/91/907628191.db2.gz ZJNPWYXQNKLVCV-LBPRGKRZSA-N 2 2 282.388 0.403 20 0 CCADLP C[N@H+](CCNC(=O)CCn1cc[nH+]c1)CC[C@H]1CCCO1 ZINC001492363023 907875602 /nfs/dbraw/zinc/87/56/02/907875602.db2.gz FESGURRDRUHTON-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP C[N@@H+](CCNC(=O)CCn1cc[nH+]c1)CC[C@H]1CCCO1 ZINC001492363023 907875616 /nfs/dbraw/zinc/87/56/16/907875616.db2.gz FESGURRDRUHTON-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NCCC[NH+](C)Cc2ccon2)C1 ZINC001316850822 908221863 /nfs/dbraw/zinc/22/18/63/908221863.db2.gz JDLYTEZPQMXALP-ZDUSSCGKSA-N 2 2 294.399 0.955 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH+](C)Cc2ccon2)C1 ZINC001316850822 908221875 /nfs/dbraw/zinc/22/18/75/908221875.db2.gz JDLYTEZPQMXALP-ZDUSSCGKSA-N 2 2 294.399 0.955 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)NCCC[N@H+](C)Cc2ccon2)C1 ZINC001316850822 908221886 /nfs/dbraw/zinc/22/18/86/908221886.db2.gz JDLYTEZPQMXALP-ZDUSSCGKSA-N 2 2 294.399 0.955 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)NCCC[N@@H+](C)Cc2ccon2)C1 ZINC001316850822 908221901 /nfs/dbraw/zinc/22/19/01/908221901.db2.gz JDLYTEZPQMXALP-ZDUSSCGKSA-N 2 2 294.399 0.955 20 0 CCADLP CNC(=O)N[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC001308074810 908372448 /nfs/dbraw/zinc/37/24/48/908372448.db2.gz DVOMGHIWKYRHKF-GFCCVEGCSA-N 2 2 265.361 0.667 20 0 CCADLP CNC(=O)N[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC001308074810 908372463 /nfs/dbraw/zinc/37/24/63/908372463.db2.gz DVOMGHIWKYRHKF-GFCCVEGCSA-N 2 2 265.361 0.667 20 0 CCADLP CC1(C)C[NH2+]CC[C@H](NC(=O)C[C@@H]([NH3+])C(F)F)C1 ZINC001340894177 908556326 /nfs/dbraw/zinc/55/63/26/908556326.db2.gz HEUAHMYWIXSDAO-DTWKUNHWSA-N 2 2 263.332 0.863 20 0 CCADLP COCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001316881886 908677900 /nfs/dbraw/zinc/67/79/00/908677900.db2.gz WRHJGUXZNIZECR-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP CCOCC[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001316942343 908859783 /nfs/dbraw/zinc/85/97/83/908859783.db2.gz BKIXRAZAEBHTEF-AWEZNQCLSA-N 2 2 294.399 0.959 20 0 CCADLP CCOCC[N@H+]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001316942343 908859794 /nfs/dbraw/zinc/85/97/94/908859794.db2.gz BKIXRAZAEBHTEF-AWEZNQCLSA-N 2 2 294.399 0.959 20 0 CCADLP COCCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001317124144 908996168 /nfs/dbraw/zinc/99/61/68/908996168.db2.gz ZYUMYVSBBHBHHC-PHIMTYICSA-N 2 2 266.345 0.226 20 0 CCADLP C[C@H](CC(=O)NCC[N@H+](C)CCCO)n1cc[nH+]c1 ZINC001317462707 909242916 /nfs/dbraw/zinc/24/29/16/909242916.db2.gz HKLSZYJVXMXGIG-GFCCVEGCSA-N 2 2 268.361 0.265 20 0 CCADLP C[C@H](CC(=O)NCC[N@@H+](C)CCCO)n1cc[nH+]c1 ZINC001317462707 909242932 /nfs/dbraw/zinc/24/29/32/909242932.db2.gz HKLSZYJVXMXGIG-GFCCVEGCSA-N 2 2 268.361 0.265 20 0 CCADLP COC[C@H](C)[NH2+]CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001317642781 909438799 /nfs/dbraw/zinc/43/87/99/909438799.db2.gz USNWWXOGJBDDOV-JTQLQIEISA-N 2 2 254.334 0.035 20 0 CCADLP C[C@@H](C(=O)N(C)CC[NH+]1CCCC1)n1cc[nH+]c1 ZINC001318476581 909775499 /nfs/dbraw/zinc/77/54/99/909775499.db2.gz IJNKVENSUIHZEH-LBPRGKRZSA-N 2 2 250.346 0.998 20 0 CCADLP CO[C@H](C)C[NH2+][C@H](CNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001389683014 910027284 /nfs/dbraw/zinc/02/72/84/910027284.db2.gz AKHFZODFQLJJJQ-BXUZGUMPSA-N 2 2 294.399 0.482 20 0 CCADLP CCc1nc(C[NH2+][C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)no1 ZINC001389883208 910131591 /nfs/dbraw/zinc/13/15/91/910131591.db2.gz ZFAUOPULNGKEPY-XYPYZODXSA-N 2 2 295.387 0.321 20 0 CCADLP C[C@@H](C(=O)N1CC[C@H](C[NH+](C)C)C1)n1cc[nH+]c1 ZINC001320070060 910447552 /nfs/dbraw/zinc/44/75/52/910447552.db2.gz DOEHITXVDCNXGN-NWDGAFQWSA-N 2 2 250.346 0.854 20 0 CCADLP Cc1cnc(C[NH2+][C@@H](C)CNC(=O)C23CC[NH+](CC2)C3)o1 ZINC001390503352 910475836 /nfs/dbraw/zinc/47/58/36/910475836.db2.gz DVUZUARADSZPAI-NSHDSACASA-N 2 2 292.383 0.673 20 0 CCADLP CC(C)[NH2+]C[C@@H](O)CNC(=O)CCCn1cc[nH+]c1 ZINC001320318082 910606616 /nfs/dbraw/zinc/60/66/16/910606616.db2.gz UFZVITFMAZFISN-GFCCVEGCSA-N 2 2 268.361 0.138 20 0 CCADLP Cc1cc(C[N@H+](C)CCNC(=O)[C@@H]2CCC[NH+]2C)on1 ZINC001390743709 910641792 /nfs/dbraw/zinc/64/17/92/910641792.db2.gz WDPGSNNGDSGXGN-ZDUSSCGKSA-N 2 2 280.372 0.625 20 0 CCADLP Cc1cc(C[N@@H+](C)CCNC(=O)[C@@H]2CCC[NH+]2C)on1 ZINC001390743709 910641799 /nfs/dbraw/zinc/64/17/99/910641799.db2.gz WDPGSNNGDSGXGN-ZDUSSCGKSA-N 2 2 280.372 0.625 20 0 CCADLP Cc1cc(C[NH+](C)CCNC(=O)[C@@H]2CCC[N@@H+]2C)on1 ZINC001390743709 910641803 /nfs/dbraw/zinc/64/18/03/910641803.db2.gz WDPGSNNGDSGXGN-ZDUSSCGKSA-N 2 2 280.372 0.625 20 0 CCADLP Cc1cc(C[NH+](C)CCNC(=O)[C@@H]2CCC[N@H+]2C)on1 ZINC001390743709 910641810 /nfs/dbraw/zinc/64/18/10/910641810.db2.gz WDPGSNNGDSGXGN-ZDUSSCGKSA-N 2 2 280.372 0.625 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)CC[NH2+]CCCO)c[nH+]1 ZINC001320465552 910684774 /nfs/dbraw/zinc/68/47/74/910684774.db2.gz ZCUMBQPEUINWIW-GFCCVEGCSA-N 2 2 296.415 0.793 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001417763974 921600405 /nfs/dbraw/zinc/60/04/05/921600405.db2.gz JTBHBNVYWQGOQN-GMXVVIOVSA-N 2 2 280.372 0.208 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001417763974 921600417 /nfs/dbraw/zinc/60/04/17/921600417.db2.gz JTBHBNVYWQGOQN-GMXVVIOVSA-N 2 2 280.372 0.208 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001391984492 911507474 /nfs/dbraw/zinc/50/74/74/911507474.db2.gz CYZFAVYDYJUVHY-CYBMUJFWSA-N 2 2 280.372 0.417 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001391984492 911507481 /nfs/dbraw/zinc/50/74/81/911507481.db2.gz CYZFAVYDYJUVHY-CYBMUJFWSA-N 2 2 280.372 0.417 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]CCO)CCCC1 ZINC001392025936 911527842 /nfs/dbraw/zinc/52/78/42/911527842.db2.gz NRLAYMOSPYEHQZ-UHFFFAOYSA-N 2 2 280.372 0.272 20 0 CCADLP C[C@@H](C[NH2+]CCC[C@H]1CCOC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001322003076 911617608 /nfs/dbraw/zinc/61/76/08/911617608.db2.gz PXQBJJFZVKUQSH-STQMWFEESA-N 2 2 294.399 0.863 20 0 CCADLP COC[C@H](C)[NH2+]CC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001392434040 911800888 /nfs/dbraw/zinc/80/08/88/911800888.db2.gz GSEMQWKCXZBUPX-RYUDHWBXSA-N 2 2 282.388 0.482 20 0 CCADLP Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)C2CC[NH+](C)CC2)o1 ZINC001392504778 911868503 /nfs/dbraw/zinc/86/85/03/911868503.db2.gz JHZUZZOVGUGGPU-SNVBAGLBSA-N 2 2 295.387 0.314 20 0 CCADLP CN(CCC[NH2+]C[C@@H]1CCCOC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001322712380 911924269 /nfs/dbraw/zinc/92/42/69/911924269.db2.gz ZCBMWYIASVXKEJ-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCC[NH2+]CCO ZINC001322732094 911927658 /nfs/dbraw/zinc/92/76/58/911927658.db2.gz WYNZWVWZXBQVOT-NSHDSACASA-N 2 2 268.361 0.019 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCC[NH2+]CCO ZINC001322732094 911927674 /nfs/dbraw/zinc/92/76/74/911927674.db2.gz WYNZWVWZXBQVOT-NSHDSACASA-N 2 2 268.361 0.019 20 0 CCADLP C[C@H](C(=O)NCC[NH+]1CCSCC1)n1cc[nH+]c1 ZINC001322766440 911943848 /nfs/dbraw/zinc/94/38/48/911943848.db2.gz MIWXAUWCWNSXKD-LLVKDONJSA-N 2 2 268.386 0.609 20 0 CCADLP COCCO[C@@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC001323084571 912106323 /nfs/dbraw/zinc/10/63/23/912106323.db2.gz DILDKCPENJSVCH-HUUCEWRRSA-N 2 2 286.416 0.571 20 0 CCADLP COCCO[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC001323084571 912106327 /nfs/dbraw/zinc/10/63/27/912106327.db2.gz DILDKCPENJSVCH-HUUCEWRRSA-N 2 2 286.416 0.571 20 0 CCADLP CC(C)[C@H](CNc1cc[nH+]c(N)n1)[NH+]1CCOCC1 ZINC001339522869 921745686 /nfs/dbraw/zinc/74/56/86/921745686.db2.gz ORXCNALZSWBDSR-NSHDSACASA-N 2 2 265.361 0.828 20 0 CCADLP C[C@@H](O)C[N@H+](C)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001399521901 915211220 /nfs/dbraw/zinc/21/12/20/915211220.db2.gz DLSUTYVVYLZYNS-LLVKDONJSA-N 2 2 276.340 0.377 20 0 CCADLP C[C@@H](O)C[N@@H+](C)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001399521901 915211234 /nfs/dbraw/zinc/21/12/34/915211234.db2.gz DLSUTYVVYLZYNS-LLVKDONJSA-N 2 2 276.340 0.377 20 0 CCADLP [NH3+]CC1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001328721877 915378601 /nfs/dbraw/zinc/37/86/01/915378601.db2.gz PWKXKQIRQVCQAE-LBPRGKRZSA-N 2 2 262.357 0.643 20 0 CCADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@H+](C)CCCO ZINC001329460966 915936008 /nfs/dbraw/zinc/93/60/08/915936008.db2.gz SXPIOIDPEGKDET-NSHDSACASA-N 2 2 268.361 0.161 20 0 CCADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@@H+](C)CCCO ZINC001329460966 915936017 /nfs/dbraw/zinc/93/60/17/915936017.db2.gz SXPIOIDPEGKDET-NSHDSACASA-N 2 2 268.361 0.161 20 0 CCADLP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@H+](C)CCCO ZINC001329460966 915936036 /nfs/dbraw/zinc/93/60/36/915936036.db2.gz SXPIOIDPEGKDET-NSHDSACASA-N 2 2 268.361 0.161 20 0 CCADLP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@@H+](C)CCCO ZINC001329460966 915936046 /nfs/dbraw/zinc/93/60/46/915936046.db2.gz SXPIOIDPEGKDET-NSHDSACASA-N 2 2 268.361 0.161 20 0 CCADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1nccn1C ZINC001400908089 915980416 /nfs/dbraw/zinc/98/04/16/915980416.db2.gz ASOSMRGIAAFXLE-LBPRGKRZSA-N 2 2 290.371 0.301 20 0 CCADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1C)[NH2+]Cc1ccon1 ZINC001400928674 915989974 /nfs/dbraw/zinc/98/99/74/915989974.db2.gz PGQHETGPORQREA-LBPRGKRZSA-N 2 2 291.355 0.864 20 0 CCADLP Cc1nnc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001401264670 916155395 /nfs/dbraw/zinc/15/53/95/916155395.db2.gz YUALWBSZUCRQDC-JQWIXIFHSA-N 2 2 295.387 0.266 20 0 CCADLP Cc1nnc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001401264670 916155399 /nfs/dbraw/zinc/15/53/99/916155399.db2.gz YUALWBSZUCRQDC-JQWIXIFHSA-N 2 2 295.387 0.266 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)Cc1ccn(C)n1 ZINC001401830845 916618471 /nfs/dbraw/zinc/61/84/71/916618471.db2.gz UCTNZCTWDIBLQQ-CYBMUJFWSA-N 2 2 295.431 0.697 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@@H+](C)Cc1ccn(C)n1 ZINC001401830845 916618487 /nfs/dbraw/zinc/61/84/87/916618487.db2.gz UCTNZCTWDIBLQQ-CYBMUJFWSA-N 2 2 295.431 0.697 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)Cc1ccn(C)n1 ZINC001401830845 916618497 /nfs/dbraw/zinc/61/84/97/916618497.db2.gz UCTNZCTWDIBLQQ-CYBMUJFWSA-N 2 2 295.431 0.697 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)Cc1ccn(C)n1 ZINC001401830845 916618507 /nfs/dbraw/zinc/61/85/07/916618507.db2.gz UCTNZCTWDIBLQQ-CYBMUJFWSA-N 2 2 295.431 0.697 20 0 CCADLP CC[C@H](C(=O)NC[C@H]1CC[N@@H+]1Cc1cnn(C)c1)[NH+](C)C ZINC001401890598 916663663 /nfs/dbraw/zinc/66/36/63/916663663.db2.gz FBFIWDVWQGYEJN-ZIAGYGMSSA-N 2 2 293.415 0.451 20 0 CCADLP CC[C@H](C(=O)NC[C@H]1CC[N@H+]1Cc1cnn(C)c1)[NH+](C)C ZINC001401890598 916663669 /nfs/dbraw/zinc/66/36/69/916663669.db2.gz FBFIWDVWQGYEJN-ZIAGYGMSSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH2+]C2(CNC(=O)Cc3c[nH]c[nH+]3)CC2)O1 ZINC001401964280 916734068 /nfs/dbraw/zinc/73/40/68/916734068.db2.gz TXGILCSCJIBZKH-YPMHNXCESA-N 2 2 292.383 0.758 20 0 CCADLP C[C@H](O)C[NH2+]C[C@]1(C)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001402154969 916840488 /nfs/dbraw/zinc/84/04/88/916840488.db2.gz GKHBXVAGLXMDFF-WFASDCNBSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](O)C[NH2+]C[C@]1(C)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001402154969 916840503 /nfs/dbraw/zinc/84/05/03/916840503.db2.gz GKHBXVAGLXMDFF-WFASDCNBSA-N 2 2 294.399 0.551 20 0 CCADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2CN2C(=O)[C@@H]3CC[C@@H]3C2=O)C1 ZINC001331030587 917035913 /nfs/dbraw/zinc/03/59/13/917035913.db2.gz MLRPRPDJAVOKHD-FQUUOJAGSA-N 2 2 291.395 0.755 20 0 CCADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2CN2C(=O)[C@@H]3CC[C@@H]3C2=O)C1 ZINC001331030587 917035925 /nfs/dbraw/zinc/03/59/25/917035925.db2.gz MLRPRPDJAVOKHD-FQUUOJAGSA-N 2 2 291.395 0.755 20 0 CCADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2CN2C(=O)[C@@H]3CC[C@@H]3C2=O)C1 ZINC001331030587 917035938 /nfs/dbraw/zinc/03/59/38/917035938.db2.gz MLRPRPDJAVOKHD-FQUUOJAGSA-N 2 2 291.395 0.755 20 0 CCADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2CN2C(=O)[C@@H]3CC[C@@H]3C2=O)C1 ZINC001331030587 917035952 /nfs/dbraw/zinc/03/59/52/917035952.db2.gz MLRPRPDJAVOKHD-FQUUOJAGSA-N 2 2 291.395 0.755 20 0 CCADLP CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001402522467 917076619 /nfs/dbraw/zinc/07/66/19/917076619.db2.gz WFIRQJFEXAEDFP-UONOGXRCSA-N 2 2 285.432 0.800 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[C@H](C)[NH2+]Cc1cnon1 ZINC001402845341 917282622 /nfs/dbraw/zinc/28/26/22/917282622.db2.gz UPKWYANWBNHGFZ-JTQLQIEISA-N 2 2 292.343 0.259 20 0 CCADLP C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC[C@H]1CCOC1 ZINC001402850791 917287357 /nfs/dbraw/zinc/28/73/57/917287357.db2.gz XJHSYLALSROVFT-STQMWFEESA-N 2 2 294.399 0.863 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC1(CO)CC[NH+](C(C)C)CC1 ZINC001402890224 917318840 /nfs/dbraw/zinc/31/88/40/917318840.db2.gz IHZPIHDZYVIHJB-UHFFFAOYSA-N 2 2 294.399 0.612 20 0 CCADLP C[NH2+][C@@H]1CCCN(C(=O)NCc2c[nH+]cn2C)C1 ZINC001331436928 917334777 /nfs/dbraw/zinc/33/47/77/917334777.db2.gz AUMATFLKUKTHNM-SNVBAGLBSA-N 2 2 251.334 0.314 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)CCn1cccn1 ZINC001403187628 917567339 /nfs/dbraw/zinc/56/73/39/917567339.db2.gz GJJKKWCBKCBUFE-GFCCVEGCSA-N 2 2 290.371 0.285 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)CCn1cccn1 ZINC001403187628 917567351 /nfs/dbraw/zinc/56/73/51/917567351.db2.gz GJJKKWCBKCBUFE-GFCCVEGCSA-N 2 2 290.371 0.285 20 0 CCADLP C[C@H]([NH2+]CCF)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001403409995 917703586 /nfs/dbraw/zinc/70/35/86/917703586.db2.gz KEDRWSBCXBDSNW-QWRGUYRKSA-N 2 2 284.335 0.127 20 0 CCADLP CCOCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC001332066464 917835396 /nfs/dbraw/zinc/83/53/96/917835396.db2.gz XGIBALVAIXMEQZ-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP Cc1nocc1C[NH2+][C@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001403641824 917874965 /nfs/dbraw/zinc/87/49/65/917874965.db2.gz XAILMENPSCOVGN-LLVKDONJSA-N 2 2 291.355 0.816 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)[NH2+]CCC(C)(C)C ZINC001403719951 917959438 /nfs/dbraw/zinc/95/94/38/917959438.db2.gz JVMCWTMFFIIGLX-LBPRGKRZSA-N 2 2 296.415 0.764 20 0 CCADLP CC(C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001403900931 918103987 /nfs/dbraw/zinc/10/39/87/918103987.db2.gz RSHNKXCNUOLRQS-CQSZACIVSA-N 2 2 296.415 0.749 20 0 CCADLP CC(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001403900931 918103998 /nfs/dbraw/zinc/10/39/98/918103998.db2.gz RSHNKXCNUOLRQS-CQSZACIVSA-N 2 2 296.415 0.749 20 0 CCADLP CC(C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001403900931 918104008 /nfs/dbraw/zinc/10/40/08/918104008.db2.gz RSHNKXCNUOLRQS-CQSZACIVSA-N 2 2 296.415 0.749 20 0 CCADLP CC(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001403900931 918104019 /nfs/dbraw/zinc/10/40/19/918104019.db2.gz RSHNKXCNUOLRQS-CQSZACIVSA-N 2 2 296.415 0.749 20 0 CCADLP C[NH+](C)C1(C(=O)NC2C[NH+](CC[C@H]3CCCO3)C2)CCC1 ZINC001404774046 918460130 /nfs/dbraw/zinc/46/01/30/918460130.db2.gz QRLWTNLGRGGSFP-CQSZACIVSA-N 2 2 295.427 0.840 20 0 CCADLP Nc1ccc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cn1 ZINC001333002003 918591783 /nfs/dbraw/zinc/59/17/83/918591783.db2.gz UEAZREWMCRHDSI-UHFFFAOYSA-N 2 2 258.329 0.709 20 0 CCADLP CN(C(=O)CCc1[nH+]ccn1C)[C@H]1CC[N@H+](CCCO)C1 ZINC001405130793 918617836 /nfs/dbraw/zinc/61/78/36/918617836.db2.gz OESIUROSCLWRLO-ZDUSSCGKSA-N 2 2 294.399 0.268 20 0 CCADLP CN(C(=O)CCc1[nH+]ccn1C)[C@H]1CC[N@@H+](CCCO)C1 ZINC001405130793 918617847 /nfs/dbraw/zinc/61/78/47/918617847.db2.gz OESIUROSCLWRLO-ZDUSSCGKSA-N 2 2 294.399 0.268 20 0 CCADLP C[C@H](C[NH2+]Cc1nccn1C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001405872431 918952526 /nfs/dbraw/zinc/95/25/26/918952526.db2.gz KBJDFXRYMAZPPA-LLVKDONJSA-N 2 2 290.371 0.322 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNc1cc[nH+]c(CO)c1 ZINC001333610630 919042006 /nfs/dbraw/zinc/04/20/06/919042006.db2.gz CMLPTTHVDFVNHQ-NSHDSACASA-N 2 2 251.330 0.707 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNc1cc[nH+]c(CO)c1 ZINC001333610630 919042018 /nfs/dbraw/zinc/04/20/18/919042018.db2.gz CMLPTTHVDFVNHQ-NSHDSACASA-N 2 2 251.330 0.707 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[N@@H+](C)CCC[C@@H](C)O ZINC001406155715 919082562 /nfs/dbraw/zinc/08/25/62/919082562.db2.gz JGAZUKFNHAHFIJ-GFCCVEGCSA-N 2 2 296.415 0.812 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[N@H+](C)CCC[C@@H](C)O ZINC001406155715 919082578 /nfs/dbraw/zinc/08/25/78/919082578.db2.gz JGAZUKFNHAHFIJ-GFCCVEGCSA-N 2 2 296.415 0.812 20 0 CCADLP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1cnsn1 ZINC001406423735 919253918 /nfs/dbraw/zinc/25/39/18/919253918.db2.gz NKSPMOXVMXJTTD-SNVBAGLBSA-N 2 2 285.417 0.474 20 0 CCADLP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1cnsn1 ZINC001406423735 919253934 /nfs/dbraw/zinc/25/39/34/919253934.db2.gz NKSPMOXVMXJTTD-SNVBAGLBSA-N 2 2 285.417 0.474 20 0 CCADLP Cc1cnc(C[NH2+]C[C@@H](C)NC(=O)Cn2cc[nH+]c2C)o1 ZINC001406431674 919262370 /nfs/dbraw/zinc/26/23/70/919262370.db2.gz LJATYPHFDNZXHO-SNVBAGLBSA-N 2 2 291.355 0.782 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH2+]Cc1cnns1 ZINC001406492007 919305770 /nfs/dbraw/zinc/30/57/70/919305770.db2.gz DKWQUORDYJISER-VIFPVBQESA-N 2 2 294.384 0.338 20 0 CCADLP COCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001406667491 919423159 /nfs/dbraw/zinc/42/31/59/919423159.db2.gz QOVRAXPTRCRQOJ-JHJVBQTASA-N 2 2 294.399 0.607 20 0 CCADLP COCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001406667491 919423150 /nfs/dbraw/zinc/42/31/50/919423150.db2.gz QOVRAXPTRCRQOJ-JHJVBQTASA-N 2 2 294.399 0.607 20 0 CCADLP C[C@H](C[N@H+](C)C[C@@H]1CCCCO1)NC(=O)Cn1cc[nH+]c1 ZINC001406701582 919434045 /nfs/dbraw/zinc/43/40/45/919434045.db2.gz YPNLILYWKYGONM-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@H](C[N@@H+](C)C[C@@H]1CCCCO1)NC(=O)Cn1cc[nH+]c1 ZINC001406701582 919434051 /nfs/dbraw/zinc/43/40/51/919434051.db2.gz YPNLILYWKYGONM-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP O=C(C[NH+]1CCCC1)NCC1(O)C[NH+](CC2CCC2)C1 ZINC001407468176 919766349 /nfs/dbraw/zinc/76/63/49/919766349.db2.gz JMJKPJQIWCKHOF-UHFFFAOYSA-N 2 2 281.400 0.045 20 0 CCADLP COc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)o1 ZINC001334952886 919863819 /nfs/dbraw/zinc/86/38/19/919863819.db2.gz QEXGQYUCABBMNT-GFCCVEGCSA-N 2 2 295.383 0.965 20 0 CCADLP COc1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)o1 ZINC001334952886 919863829 /nfs/dbraw/zinc/86/38/29/919863829.db2.gz QEXGQYUCABBMNT-GFCCVEGCSA-N 2 2 295.383 0.965 20 0 CCADLP O=C(C[NH+]1CCCC1)NC[C@H]1COCC[N@@H+]1CC1CC1 ZINC001407768099 919882902 /nfs/dbraw/zinc/88/29/02/919882902.db2.gz LXGUCVJBUOMQAH-AWEZNQCLSA-N 2 2 281.400 0.309 20 0 CCADLP O=C(C[NH+]1CCCC1)NC[C@H]1COCC[N@H+]1CC1CC1 ZINC001407768099 919882911 /nfs/dbraw/zinc/88/29/11/919882911.db2.gz LXGUCVJBUOMQAH-AWEZNQCLSA-N 2 2 281.400 0.309 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c[nH]1 ZINC001414082238 919906366 /nfs/dbraw/zinc/90/63/66/919906366.db2.gz FQYNIJVKACWVGA-STQMWFEESA-N 2 2 293.367 0.754 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c[nH]1 ZINC001414082238 919906375 /nfs/dbraw/zinc/90/63/75/919906375.db2.gz FQYNIJVKACWVGA-STQMWFEESA-N 2 2 293.367 0.754 20 0 CCADLP CN1C[C@@H](C[N@@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)OC1=O ZINC001335050129 919919585 /nfs/dbraw/zinc/91/95/85/919919585.db2.gz YFSSMNBZUHGEKP-FPMFFAJLSA-N 2 2 267.373 0.711 20 0 CCADLP CN1C[C@@H](C[N@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)OC1=O ZINC001335050129 919919602 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O=C(NC[C@H]([NH2+]CCF)C1CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001419275126 922747495 /nfs/dbraw/zinc/74/74/95/922747495.db2.gz LSIYYEGCPKHRRJ-STQMWFEESA-N 2 2 294.374 0.899 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCC[NH2+]CC1)n1cc[nH+]c1 ZINC001342081727 922795804 /nfs/dbraw/zinc/79/58/04/922795804.db2.gz IVTAQWXFDFCWDP-NEPJUHHUSA-N 2 2 250.346 0.950 20 0 CCADLP C[C@H](C(=O)N(C)CC1CC[NH2+]CC1)n1cc[nH+]c1 ZINC001342121242 922816713 /nfs/dbraw/zinc/81/67/13/922816713.db2.gz NWGOAXDSOZDDFZ-LLVKDONJSA-N 2 2 250.346 0.902 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CCC[N@H+](CCO)C1 ZINC001419540514 922902581 /nfs/dbraw/zinc/90/25/81/922902581.db2.gz HTGVUEKNEPIJHY-ZDUSSCGKSA-N 2 2 294.399 0.173 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CCC[N@@H+](CCO)C1 ZINC001419540514 922902584 /nfs/dbraw/zinc/90/25/84/922902584.db2.gz HTGVUEKNEPIJHY-ZDUSSCGKSA-N 2 2 294.399 0.173 20 0 CCADLP CO[C@H](C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001419621298 922951414 /nfs/dbraw/zinc/95/14/14/922951414.db2.gz 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CCADLP CC[C@H](C[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]cn1C)OC ZINC001425679240 928621740 /nfs/dbraw/zinc/62/17/40/928621740.db2.gz LCUNCBQKVDHTCS-GXTWGEPZSA-N 2 2 296.415 0.824 20 0 CCADLP C[C@@H](CC(=O)N1CC([NH2+]C2CCOCC2)C1)n1cc[nH+]c1 ZINC001362916540 928647989 /nfs/dbraw/zinc/64/79/89/928647989.db2.gz GCAAGNBMZDSRFR-LBPRGKRZSA-N 2 2 292.383 0.814 20 0 CCADLP CCC[NH2+][C@H](CO)CNC(=O)Cc1c[nH+]ccc1OC ZINC001425765458 928663134 /nfs/dbraw/zinc/66/31/34/928663134.db2.gz BTMVYSXOWIHYSG-LBPRGKRZSA-N 2 2 281.356 0.109 20 0 CCADLP CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001426069665 928750197 /nfs/dbraw/zinc/75/01/97/928750197.db2.gz SHTCGMDFSMQDIR-CHWSQXEVSA-N 2 2 294.399 0.217 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001426069665 928750206 /nfs/dbraw/zinc/75/02/06/928750206.db2.gz SHTCGMDFSMQDIR-CHWSQXEVSA-N 2 2 294.399 0.217 20 0 CCADLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC[NH+](CCO)CC1 ZINC001426188057 928785275 /nfs/dbraw/zinc/78/52/75/928785275.db2.gz WBQRKKPNYZGXTP-LLVKDONJSA-N 2 2 280.372 0.161 20 0 CCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCCc1cn(C)c[nH+]1 ZINC001427707163 929089037 /nfs/dbraw/zinc/08/90/37/929089037.db2.gz ZPVOLSFBZOGALW-ZDUSSCGKSA-N 2 2 279.388 0.698 20 0 CCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCCc1cn(C)c[nH+]1 ZINC001427707163 929089047 /nfs/dbraw/zinc/08/90/47/929089047.db2.gz ZPVOLSFBZOGALW-ZDUSSCGKSA-N 2 2 279.388 0.698 20 0 CCADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1nc(CO)cs1 ZINC001363368901 929153668 /nfs/dbraw/zinc/15/36/68/929153668.db2.gz ILIPLDNFVNAJEM-NSHDSACASA-N 2 2 284.429 0.361 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001363659775 929462466 /nfs/dbraw/zinc/46/24/66/929462466.db2.gz PYKRVYHCJXKKNN-QWHCGFSZSA-N 2 2 280.372 0.304 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001363659775 929462471 /nfs/dbraw/zinc/46/24/71/929462471.db2.gz PYKRVYHCJXKKNN-QWHCGFSZSA-N 2 2 280.372 0.304 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NC[C@@H]1C[NH+]2CCC1CC2 ZINC001363663009 929463743 /nfs/dbraw/zinc/46/37/43/929463743.db2.gz OIGLAPAYZDTRNB-CYBMUJFWSA-N 2 2 276.384 0.811 20 0 CCADLP Cc1ncsc1CC[NH+]1CC(NC(=O)CC[NH+](C)C)C1 ZINC001443512644 929631390 /nfs/dbraw/zinc/63/13/90/929631390.db2.gz XDHHTGBBXRUBAN-UHFFFAOYSA-N 2 2 296.440 0.746 20 0 CCADLP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1nnc(C)o1 ZINC001443904830 929738154 /nfs/dbraw/zinc/73/81/54/929738154.db2.gz VAEXZFATJRZFAM-RYUDHWBXSA-N 2 2 295.387 0.457 20 0 CCADLP CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1nnc(C)o1 ZINC001443904830 929738159 /nfs/dbraw/zinc/73/81/59/929738159.db2.gz VAEXZFATJRZFAM-RYUDHWBXSA-N 2 2 295.387 0.457 20 0 CCADLP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccn(C)n1 ZINC001372477845 929847583 /nfs/dbraw/zinc/84/75/83/929847583.db2.gz RSWMPKXASZAPIU-ZDUSSCGKSA-N 2 2 293.415 0.310 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccn(C)n1 ZINC001372477845 929847598 /nfs/dbraw/zinc/84/75/98/929847598.db2.gz RSWMPKXASZAPIU-ZDUSSCGKSA-N 2 2 293.415 0.310 20 0 CCADLP CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccn(C)n1 ZINC001372477845 929847610 /nfs/dbraw/zinc/84/76/10/929847610.db2.gz RSWMPKXASZAPIU-ZDUSSCGKSA-N 2 2 293.415 0.310 20 0 CCADLP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccn(C)n1 ZINC001372477845 929847620 /nfs/dbraw/zinc/84/76/20/929847620.db2.gz RSWMPKXASZAPIU-ZDUSSCGKSA-N 2 2 293.415 0.310 20 0 CCADLP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccn(C)n1 ZINC001372477844 929847659 /nfs/dbraw/zinc/84/76/59/929847659.db2.gz RSWMPKXASZAPIU-CYBMUJFWSA-N 2 2 293.415 0.310 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccn(C)n1 ZINC001372477844 929847671 /nfs/dbraw/zinc/84/76/71/929847671.db2.gz RSWMPKXASZAPIU-CYBMUJFWSA-N 2 2 293.415 0.310 20 0 CCADLP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccn(C)n1 ZINC001372477844 929847683 /nfs/dbraw/zinc/84/76/83/929847683.db2.gz RSWMPKXASZAPIU-CYBMUJFWSA-N 2 2 293.415 0.310 20 0 CCADLP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccn(C)n1 ZINC001372477844 929847694 /nfs/dbraw/zinc/84/76/94/929847694.db2.gz RSWMPKXASZAPIU-CYBMUJFWSA-N 2 2 293.415 0.310 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001372677377 929911160 /nfs/dbraw/zinc/91/11/60/929911160.db2.gz DSJDZQWQFRQVGV-KGLIPLIRSA-N 2 2 292.383 0.358 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001372677377 929911167 /nfs/dbraw/zinc/91/11/67/929911167.db2.gz DSJDZQWQFRQVGV-KGLIPLIRSA-N 2 2 292.383 0.358 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001372986684 930038584 /nfs/dbraw/zinc/03/85/84/930038584.db2.gz DKOSENXUZJNONA-PWSUYJOCSA-N 2 2 295.387 0.439 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001372986684 930038595 /nfs/dbraw/zinc/03/85/95/930038595.db2.gz DKOSENXUZJNONA-PWSUYJOCSA-N 2 2 295.387 0.439 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001373241289 930112211 /nfs/dbraw/zinc/11/22/11/930112211.db2.gz QHTXJSCXKXWFTR-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001373241289 930112213 /nfs/dbraw/zinc/11/22/13/930112213.db2.gz QHTXJSCXKXWFTR-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP CCc1noc(C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C)n1 ZINC001445507492 930151748 /nfs/dbraw/zinc/15/17/48/930151748.db2.gz YEHKLFCOHIMBTH-LLVKDONJSA-N 2 2 297.403 0.567 20 0 CCADLP CCc1noc(C[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)n1 ZINC001445507492 930151753 /nfs/dbraw/zinc/15/17/53/930151753.db2.gz YEHKLFCOHIMBTH-LLVKDONJSA-N 2 2 297.403 0.567 20 0 CCADLP Cc1cnc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001445534336 930161543 /nfs/dbraw/zinc/16/15/43/930161543.db2.gz UQJCVTSHOLCNNQ-JQWIXIFHSA-N 2 2 280.372 0.672 20 0 CCADLP Cc1cnc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001445534336 930161553 /nfs/dbraw/zinc/16/15/53/930161553.db2.gz UQJCVTSHOLCNNQ-JQWIXIFHSA-N 2 2 280.372 0.672 20 0 CCADLP CO[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001373376818 930163063 /nfs/dbraw/zinc/16/30/63/930163063.db2.gz OYLCYXMLEDUJCJ-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP CO[C@H](C)C[N@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001373376818 930163070 /nfs/dbraw/zinc/16/30/70/930163070.db2.gz OYLCYXMLEDUJCJ-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2cnn(C)c2)C1)[NH+](C)C ZINC001373644803 930282155 /nfs/dbraw/zinc/28/21/55/930282155.db2.gz AODNPWRUJJKKMH-KGLIPLIRSA-N 2 2 293.415 0.451 20 0 CCADLP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C1)[NH+](C)C ZINC001373644803 930282162 /nfs/dbraw/zinc/28/21/62/930282162.db2.gz AODNPWRUJJKKMH-KGLIPLIRSA-N 2 2 293.415 0.451 20 0 CCADLP CN(C(=O)CCn1cc[nH+]c1)[C@@H]1CC[N@H+](CCCO)C1 ZINC001373679011 930295642 /nfs/dbraw/zinc/29/56/42/930295642.db2.gz RPBSHQHTYRUALP-CYBMUJFWSA-N 2 2 280.372 0.188 20 0 CCADLP CN(C(=O)CCn1cc[nH+]c1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001373679011 930295649 /nfs/dbraw/zinc/29/56/49/930295649.db2.gz RPBSHQHTYRUALP-CYBMUJFWSA-N 2 2 280.372 0.188 20 0 CCADLP CC[C@@H](CNC(=O)Cn1c[nH+]cc1C)[NH2+]Cc1ccon1 ZINC001373774601 930340739 /nfs/dbraw/zinc/34/07/39/930340739.db2.gz OQQNVVHDJGDQKD-LBPRGKRZSA-N 2 2 291.355 0.864 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@@](C)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001373896568 930366159 /nfs/dbraw/zinc/36/61/59/930366159.db2.gz JICVFRVXXLIQEF-IAQYHMDHSA-N 2 2 294.399 0.862 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]C2(CNC(=O)CC[NH+](C)C)CC2)n1 ZINC001446226817 930371731 /nfs/dbraw/zinc/37/17/31/930371731.db2.gz HUSPNMNLGXPOEW-SNVBAGLBSA-N 2 2 295.387 0.629 20 0 CCADLP C[C@@]1(CNC(=O)Cc2[nH]cc[nH+]2)CCC[N@H+](CCCO)C1 ZINC001446693302 930461013 /nfs/dbraw/zinc/46/10/13/930461013.db2.gz GSKIFLMAVKGJTM-HNNXBMFYSA-N 2 2 294.399 0.553 20 0 CCADLP C[C@@]1(CNC(=O)Cc2[nH]cc[nH+]2)CCC[N@@H+](CCCO)C1 ZINC001446693302 930461021 /nfs/dbraw/zinc/46/10/21/930461021.db2.gz GSKIFLMAVKGJTM-HNNXBMFYSA-N 2 2 294.399 0.553 20 0 CCADLP CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001446759885 930477931 /nfs/dbraw/zinc/47/79/31/930477931.db2.gz OFZROVPWWATLLI-JTNHKYCSSA-N 2 2 278.356 0.086 20 0 CCADLP CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001446759885 930477940 /nfs/dbraw/zinc/47/79/40/930477940.db2.gz OFZROVPWWATLLI-JTNHKYCSSA-N 2 2 278.356 0.086 20 0 CCADLP CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001446759885 930477947 /nfs/dbraw/zinc/47/79/47/930477947.db2.gz OFZROVPWWATLLI-JTNHKYCSSA-N 2 2 278.356 0.086 20 0 CCADLP CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001446759885 930477955 /nfs/dbraw/zinc/47/79/55/930477955.db2.gz OFZROVPWWATLLI-JTNHKYCSSA-N 2 2 278.356 0.086 20 0 CCADLP Cc1cncc(C[NH2+]C[C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001374824923 930680532 /nfs/dbraw/zinc/68/05/32/930680532.db2.gz BXDODAUYNMNAEB-GFCCVEGCSA-N 2 2 287.367 0.950 20 0 CCADLP COCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001448046886 930799025 /nfs/dbraw/zinc/79/90/25/930799025.db2.gz NZBSORBRGJSSSA-CHWSQXEVSA-N 2 2 294.399 0.528 20 0 CCADLP COCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001448046886 930799026 /nfs/dbraw/zinc/79/90/26/930799026.db2.gz NZBSORBRGJSSSA-CHWSQXEVSA-N 2 2 294.399 0.528 20 0 CCADLP CC(C)OCC[N@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001448137135 930831994 /nfs/dbraw/zinc/83/19/94/930831994.db2.gz ASSLELZACNTERV-ZDUSSCGKSA-N 2 2 282.388 0.745 20 0 CCADLP CC(C)OCC[N@@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001448137135 930831999 /nfs/dbraw/zinc/83/19/99/930831999.db2.gz ASSLELZACNTERV-ZDUSSCGKSA-N 2 2 282.388 0.745 20 0 CCADLP CC(C)OCC[N@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001448137132 930832526 /nfs/dbraw/zinc/83/25/26/930832526.db2.gz ASSLELZACNTERV-CYBMUJFWSA-N 2 2 282.388 0.745 20 0 CCADLP CC(C)OCC[N@@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001448137132 930832535 /nfs/dbraw/zinc/83/25/35/930832535.db2.gz ASSLELZACNTERV-CYBMUJFWSA-N 2 2 282.388 0.745 20 0 CCADLP C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C1C[NH+](C[C@H](C)O)C1 ZINC001448304171 930871855 /nfs/dbraw/zinc/87/18/55/930871855.db2.gz LMADFLIVVKDRRZ-WDEREUQCSA-N 2 2 280.372 0.160 20 0 CCADLP C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C1C[NH+](C[C@H](C)O)C1 ZINC001448304171 930871861 /nfs/dbraw/zinc/87/18/61/930871861.db2.gz LMADFLIVVKDRRZ-WDEREUQCSA-N 2 2 280.372 0.160 20 0 CCADLP Cc1noc(C[NH2+][C@H](C)CN(C)C(=O)C[NH+]2CCCC2)n1 ZINC001448789175 930985364 /nfs/dbraw/zinc/98/53/64/930985364.db2.gz RTFLNWUFPVDLPX-LLVKDONJSA-N 2 2 295.387 0.410 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC001448791342 930985706 /nfs/dbraw/zinc/98/57/06/930985706.db2.gz DTOUGBGWUVSGLW-ZIAGYGMSSA-N 2 2 285.432 0.753 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001375859446 930994289 /nfs/dbraw/zinc/99/42/89/930994289.db2.gz YQVDKPZGXSPXOZ-TZMCWYRMSA-N 2 2 280.372 0.499 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001375859446 930994292 /nfs/dbraw/zinc/99/42/92/930994292.db2.gz YQVDKPZGXSPXOZ-TZMCWYRMSA-N 2 2 280.372 0.499 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]Cc2cnsn2)CN1C(=O)CC[NH+](C)C ZINC001449035156 931055467 /nfs/dbraw/zinc/05/54/67/931055467.db2.gz UWODGJPZFBAMJF-MNOVXSKESA-N 2 2 297.428 0.569 20 0 CCADLP C[N@H+](CCO)C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001376280552 931111641 /nfs/dbraw/zinc/11/16/41/931111641.db2.gz JOMPEHSMVKOGKQ-AWEZNQCLSA-N 2 2 294.399 0.436 20 0 CCADLP C[N@@H+](CCO)C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001376280552 931111645 /nfs/dbraw/zinc/11/16/45/931111645.db2.gz JOMPEHSMVKOGKQ-AWEZNQCLSA-N 2 2 294.399 0.436 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001376366396 931133909 /nfs/dbraw/zinc/13/39/09/931133909.db2.gz MTNYDFOHCJHSTA-DRZSPHRISA-N 2 2 280.372 0.614 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001376366396 931133911 /nfs/dbraw/zinc/13/39/11/931133911.db2.gz MTNYDFOHCJHSTA-DRZSPHRISA-N 2 2 280.372 0.614 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+]Cc1cscn1 ZINC001376774769 931265747 /nfs/dbraw/zinc/26/57/47/931265747.db2.gz IKSNJXJAKPYKHH-SNVBAGLBSA-N 2 2 293.396 0.943 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H](C)[NH2+]C[C@@H]1CCOC1 ZINC001377093778 931377247 /nfs/dbraw/zinc/37/72/47/931377247.db2.gz FYTNOIQINZACEE-YPMHNXCESA-N 2 2 294.399 0.782 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@H](C)[NH2+]C[C@@H]1CCOC1 ZINC001377093772 931378282 /nfs/dbraw/zinc/37/82/82/931378282.db2.gz FYTNOIQINZACEE-AAEUAGOBSA-N 2 2 294.399 0.782 20 0 CCADLP Cc1oncc1C[N@@H+](C)CCNC(=O)CCC[NH+](C)C ZINC001377215605 931427774 /nfs/dbraw/zinc/42/77/74/931427774.db2.gz MLWWXNVIXQEFNG-UHFFFAOYSA-N 2 2 282.388 0.873 20 0 CCADLP Cc1oncc1C[N@H+](C)CCNC(=O)CCC[NH+](C)C ZINC001377215605 931427780 /nfs/dbraw/zinc/42/77/80/931427780.db2.gz MLWWXNVIXQEFNG-UHFFFAOYSA-N 2 2 282.388 0.873 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N1CCN(c2[nH+]ccn2C)CC1 ZINC000091632033 349471102 /nfs/dbraw/zinc/47/11/02/349471102.db2.gz PBQFAZBRVGOZCM-AWEZNQCLSA-N 2 2 293.415 0.263 20 0 CCADLP C[C@@H](CN1CCOCC1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000091632033 349471105 /nfs/dbraw/zinc/47/11/05/349471105.db2.gz PBQFAZBRVGOZCM-AWEZNQCLSA-N 2 2 293.415 0.263 20 0 CCADLP CC(C)[C@@H]1CN(CC[N@@H+]2CCO[C@H](C)C2)CC[NH+]1C ZINC000337464754 214099071 /nfs/dbraw/zinc/09/90/71/214099071.db2.gz MDURDTXRKDZIBB-CABCVRRESA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@@H]1CN(CC[N@H+]2CCO[C@H](C)C2)CC[NH+]1C ZINC000337464754 214099073 /nfs/dbraw/zinc/09/90/73/214099073.db2.gz MDURDTXRKDZIBB-CABCVRRESA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@@H]1CN(CC[NH+]2CCO[C@H](C)C2)CC[N@@H+]1C ZINC000337464754 214099074 /nfs/dbraw/zinc/09/90/74/214099074.db2.gz MDURDTXRKDZIBB-CABCVRRESA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@@H]1CN(CC[NH+]2CCO[C@H](C)C2)CC[N@H+]1C ZINC000337464754 214099075 /nfs/dbraw/zinc/09/90/75/214099075.db2.gz MDURDTXRKDZIBB-CABCVRRESA-N 2 2 269.433 0.979 20 0 CCADLP O=C(Nc1c[nH+]ccc1-n1cc[nH+]c1)[C@H]1CC[NH2+]C1 ZINC000269239005 190480642 /nfs/dbraw/zinc/48/06/42/190480642.db2.gz ABSFVXZKOGTIHU-JTQLQIEISA-N 3 2 257.297 0.815 20 0 CCADLP O=C(NCC[NH+]1CCOCC1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000337550507 214152422 /nfs/dbraw/zinc/15/24/22/214152422.db2.gz PCYBUIBTPPLYEC-KBPBESRZSA-N 2 2 296.415 0.245 20 0 CCADLP O=C(NCC[NH+]1CCOCC1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000337550507 214152424 /nfs/dbraw/zinc/15/24/24/214152424.db2.gz PCYBUIBTPPLYEC-KBPBESRZSA-N 2 2 296.415 0.245 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)CC1 ZINC000093190855 349529448 /nfs/dbraw/zinc/52/94/48/349529448.db2.gz DMCSUGNXTLNQLM-HUUCEWRRSA-N 3 2 294.443 0.177 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)CC1 ZINC000093190855 349529452 /nfs/dbraw/zinc/52/94/52/349529452.db2.gz DMCSUGNXTLNQLM-HUUCEWRRSA-N 3 2 294.443 0.177 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000093190855 349529454 /nfs/dbraw/zinc/52/94/54/349529454.db2.gz DMCSUGNXTLNQLM-HUUCEWRRSA-N 3 2 294.443 0.177 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000093190855 349529456 /nfs/dbraw/zinc/52/94/56/349529456.db2.gz DMCSUGNXTLNQLM-HUUCEWRRSA-N 3 2 294.443 0.177 20 0 CCADLP C[C@@H]1CC[C@@H](C)[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093177769 349530354 /nfs/dbraw/zinc/53/03/54/349530354.db2.gz BWXBSPOLUHQRCX-CHWSQXEVSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093177769 349530358 /nfs/dbraw/zinc/53/03/58/349530358.db2.gz BWXBSPOLUHQRCX-CHWSQXEVSA-N 2 2 253.390 0.881 20 0 CCADLP NC(=O)NC(=O)OCCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000093193725 349531349 /nfs/dbraw/zinc/53/13/49/349531349.db2.gz UHNIGGHQDQFYJY-JTQLQIEISA-N 2 2 295.343 0.784 20 0 CCADLP NC(=O)NC(=O)OCCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000093193725 349531351 /nfs/dbraw/zinc/53/13/51/349531351.db2.gz UHNIGGHQDQFYJY-JTQLQIEISA-N 2 2 295.343 0.784 20 0 CCADLP O=C(NCCCNc1cccc[nH+]1)NCC[NH+]1CCC1 ZINC000337584724 214167534 /nfs/dbraw/zinc/16/75/34/214167534.db2.gz DKSASDLTQZFUSG-UHFFFAOYSA-N 2 2 277.372 0.889 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000082802901 178302164 /nfs/dbraw/zinc/30/21/64/178302164.db2.gz CALZYCXRFAGHLD-CYBMUJFWSA-N 2 2 270.336 0.923 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000093677048 349550425 /nfs/dbraw/zinc/55/04/25/349550425.db2.gz PPMONANZYHPGRX-AVOUXACISA-N 2 2 295.427 0.744 20 0 CCADLP CC[C@H](CCO)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000094949505 349579661 /nfs/dbraw/zinc/57/96/61/349579661.db2.gz SUARNYKNUAZYDJ-LLVKDONJSA-N 2 2 254.378 0.984 20 0 CCADLP COC(=O)c1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)nc1 ZINC000094763096 349573791 /nfs/dbraw/zinc/57/37/91/349573791.db2.gz MWLNEZOKSFQXQP-VXGBXAGGSA-N 2 2 261.325 0.519 20 0 CCADLP CC[C@@H]1C[N@H+](CC)CCN1CCC(=O)N1CC[NH+](C)CC1 ZINC000451733477 529388902 /nfs/dbraw/zinc/38/89/02/529388902.db2.gz ATLPJJCEVAURMQ-OAHLLOKOSA-N 2 2 296.459 0.567 20 0 CCADLP CC[C@@H]1C[N@@H+](CC)CCN1CCC(=O)N1CC[NH+](C)CC1 ZINC000451733477 529388903 /nfs/dbraw/zinc/38/89/03/529388903.db2.gz ATLPJJCEVAURMQ-OAHLLOKOSA-N 2 2 296.459 0.567 20 0 CCADLP CC[C@@H]1CN(CC)CC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000451733477 529388906 /nfs/dbraw/zinc/38/89/06/529388906.db2.gz ATLPJJCEVAURMQ-OAHLLOKOSA-N 2 2 296.459 0.567 20 0 CCADLP CC[C@@H]1CN(CC)CC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000451733477 529388907 /nfs/dbraw/zinc/38/89/07/529388907.db2.gz ATLPJJCEVAURMQ-OAHLLOKOSA-N 2 2 296.459 0.567 20 0 CCADLP OCCC[NH+]1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000096418740 349618879 /nfs/dbraw/zinc/61/88/79/349618879.db2.gz APWVGDIHTAGVIJ-UHFFFAOYSA-N 2 2 288.355 0.167 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000423780772 529416957 /nfs/dbraw/zinc/41/69/57/529416957.db2.gz KBFDZRWZZZYDOL-RISCZKNCSA-N 2 2 291.399 0.807 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000418739136 529445725 /nfs/dbraw/zinc/44/57/25/529445725.db2.gz YESNBPCQGCVYOC-LBPRGKRZSA-N 2 2 280.372 0.844 20 0 CCADLP CC(C)OCC[NH+]1CCN([C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000091588483 290646602 /nfs/dbraw/zinc/64/66/02/290646602.db2.gz YWGPYTJJPYNJIB-INIZCTEOSA-N 2 2 299.459 0.750 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@H]3CCCC[NH2+]3)CC2)cc[nH+]1 ZINC000423775398 282186575 /nfs/dbraw/zinc/18/65/75/282186575.db2.gz CTKMIQHVWHGURP-CYBMUJFWSA-N 2 2 289.383 0.576 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000492924557 529554346 /nfs/dbraw/zinc/55/43/46/529554346.db2.gz NENOPEUQRMZMTN-ZYOFXKKJSA-N 2 2 278.356 0.363 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000492924557 529554349 /nfs/dbraw/zinc/55/43/49/529554349.db2.gz NENOPEUQRMZMTN-ZYOFXKKJSA-N 2 2 278.356 0.363 20 0 CCADLP CNC(=O)CC[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000104716986 349717936 /nfs/dbraw/zinc/71/79/36/349717936.db2.gz UEDRPCQKGZTAOM-UHFFFAOYSA-N 2 2 278.356 0.348 20 0 CCADLP Cc1ccc(CNC(=O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000107576779 349738847 /nfs/dbraw/zinc/73/88/47/349738847.db2.gz YLEHONWVANMINP-KBPBESRZSA-N 2 2 291.370 0.902 20 0 CCADLP CN(Cc1ccccc1F)C(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107574872 349738977 /nfs/dbraw/zinc/73/89/77/349738977.db2.gz USNKJBVMCWOAPF-ZIAGYGMSSA-N 2 2 291.370 0.935 20 0 CCADLP CCn1c[nH+]cc1CN1CC[NH+](CCOC)CC1 ZINC000105964075 349728951 /nfs/dbraw/zinc/72/89/51/349728951.db2.gz GNARNTJNOYTWGE-UHFFFAOYSA-N 2 2 252.362 0.667 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000151576350 290659045 /nfs/dbraw/zinc/65/90/45/290659045.db2.gz PXOFKCSIXJGRDY-OCCSQVGLSA-N 2 2 276.384 0.902 20 0 CCADLP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000262019199 282209186 /nfs/dbraw/zinc/20/91/86/282209186.db2.gz WJYRDIPHWIYWEP-RRFJBIMHSA-N 3 2 278.400 0.938 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)COC1CC[NH2+]CC1 ZINC000111757668 349776458 /nfs/dbraw/zinc/77/64/58/349776458.db2.gz BTDBRXWMYDGZCA-LLVKDONJSA-N 2 2 266.345 0.156 20 0 CCADLP CCNC(=O)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000112636381 349783280 /nfs/dbraw/zinc/78/32/80/349783280.db2.gz QMDLMYICCDFJKG-CQSZACIVSA-N 2 2 282.432 0.224 20 0 CCADLP CCNC(=O)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000112636381 349783284 /nfs/dbraw/zinc/78/32/84/349783284.db2.gz QMDLMYICCDFJKG-CQSZACIVSA-N 2 2 282.432 0.224 20 0 CCADLP CC(C)O[C@H]1C[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000361239391 534932731 /nfs/dbraw/zinc/93/27/31/534932731.db2.gz ZHYUTCRCWUNISN-KBPBESRZSA-N 2 2 297.443 0.942 20 0 CCADLP Cc1n[nH]cc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000112839307 349793910 /nfs/dbraw/zinc/79/39/10/349793910.db2.gz KFDZTXCHWTYTCV-CHWSQXEVSA-N 2 2 250.346 0.671 20 0 CCADLP Cc1n[nH]cc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000112839307 349793916 /nfs/dbraw/zinc/79/39/16/349793916.db2.gz KFDZTXCHWTYTCV-CHWSQXEVSA-N 2 2 250.346 0.671 20 0 CCADLP COC(=O)c1cnc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cn1 ZINC000600707351 362038912 /nfs/dbraw/zinc/03/89/12/362038912.db2.gz AYOQIMMSDBNSJH-WDEREUQCSA-N 2 2 278.356 0.680 20 0 CCADLP COC(=O)c1cnc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cn1 ZINC000600707351 362038921 /nfs/dbraw/zinc/03/89/21/362038921.db2.gz AYOQIMMSDBNSJH-WDEREUQCSA-N 2 2 278.356 0.680 20 0 CCADLP COC(=O)c1cnc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cn1 ZINC000600706997 362039443 /nfs/dbraw/zinc/03/94/43/362039443.db2.gz WHOWNYQUQRKHQS-QWRGUYRKSA-N 2 2 278.356 0.822 20 0 CCADLP COC(=O)c1cnc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cn1 ZINC000600706997 362039447 /nfs/dbraw/zinc/03/94/47/362039447.db2.gz WHOWNYQUQRKHQS-QWRGUYRKSA-N 2 2 278.356 0.822 20 0 CCADLP COC(=O)CCNC(=O)CC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000600712621 362043540 /nfs/dbraw/zinc/04/35/40/362043540.db2.gz ZFVGKMDQEACLSV-RYUDHWBXSA-N 2 2 285.388 0.176 20 0 CCADLP NC(=O)NC(=O)CC[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000600749598 362053985 /nfs/dbraw/zinc/05/39/85/362053985.db2.gz HRWZFLVEGZGJEW-LBPRGKRZSA-N 2 2 282.388 0.568 20 0 CCADLP NC(=O)NC(=O)CC[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000600749598 362053991 /nfs/dbraw/zinc/05/39/91/362053991.db2.gz HRWZFLVEGZGJEW-LBPRGKRZSA-N 2 2 282.388 0.568 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600750906 362054668 /nfs/dbraw/zinc/05/46/68/362054668.db2.gz XIYYSFKCGMNISW-KMUNFCNLSA-N 2 2 294.399 0.295 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600750906 362054674 /nfs/dbraw/zinc/05/46/74/362054674.db2.gz XIYYSFKCGMNISW-KMUNFCNLSA-N 2 2 294.399 0.295 20 0 CCADLP NC(=O)NC(=O)CC[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000600755263 362055434 /nfs/dbraw/zinc/05/54/34/362055434.db2.gz IVSZEBQJLIKTPO-LLVKDONJSA-N 2 2 268.361 0.178 20 0 CCADLP NC(=O)NC(=O)CC[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000600755263 362055437 /nfs/dbraw/zinc/05/54/37/362055437.db2.gz IVSZEBQJLIKTPO-LLVKDONJSA-N 2 2 268.361 0.178 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCCC[NH+]2C)CCO1 ZINC000600983049 362114953 /nfs/dbraw/zinc/11/49/53/362114953.db2.gz PCRMLUJFTTZZGZ-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCCC[NH+]2C)CCO1 ZINC000600983049 362114958 /nfs/dbraw/zinc/11/49/58/362114958.db2.gz PCRMLUJFTTZZGZ-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC000600983049 362114960 /nfs/dbraw/zinc/11/49/60/362114960.db2.gz PCRMLUJFTTZZGZ-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CCCC[N@H+]2C)CCO1 ZINC000600983049 362114963 /nfs/dbraw/zinc/11/49/63/362114963.db2.gz PCRMLUJFTTZZGZ-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000600983320 362115172 /nfs/dbraw/zinc/11/51/72/362115172.db2.gz VSGGIUJMHOAVKW-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000600983320 362115177 /nfs/dbraw/zinc/11/51/77/362115177.db2.gz VSGGIUJMHOAVKW-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000600983320 362115181 /nfs/dbraw/zinc/11/51/81/362115181.db2.gz VSGGIUJMHOAVKW-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+]1CCCC[C@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000600983320 362115185 /nfs/dbraw/zinc/11/51/85/362115185.db2.gz VSGGIUJMHOAVKW-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP Cc1cc(NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)cc[nH+]1 ZINC000126429419 187239432 /nfs/dbraw/zinc/23/94/32/187239432.db2.gz DKSWPEPXHMKHRT-LBPRGKRZSA-N 2 2 264.329 0.428 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)CCc1c[nH+]c[nH]1 ZINC000617725153 365730792 /nfs/dbraw/zinc/73/07/92/365730792.db2.gz IBIAZQNFQHPGCS-NEPJUHHUSA-N 2 2 280.372 0.568 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)CCc1c[nH+]c[nH]1 ZINC000617725153 365730800 /nfs/dbraw/zinc/73/08/00/365730800.db2.gz IBIAZQNFQHPGCS-NEPJUHHUSA-N 2 2 280.372 0.568 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCCC[NH+]2C)[C@H](C)CO1 ZINC000617726098 365734676 /nfs/dbraw/zinc/73/46/76/365734676.db2.gz SIFTYIXIULAZKR-MCIONIFRSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCCC[NH+]2C)[C@H](C)CO1 ZINC000617726098 365734682 /nfs/dbraw/zinc/73/46/82/365734682.db2.gz SIFTYIXIULAZKR-MCIONIFRSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](C)CO1 ZINC000617726098 365734690 /nfs/dbraw/zinc/73/46/90/365734690.db2.gz SIFTYIXIULAZKR-MCIONIFRSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CCCC[N@H+]2C)[C@H](C)CO1 ZINC000617726098 365734698 /nfs/dbraw/zinc/73/46/98/365734698.db2.gz SIFTYIXIULAZKR-MCIONIFRSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC000600999605 362122898 /nfs/dbraw/zinc/12/28/98/362122898.db2.gz BGTVNYHRVGDWRW-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC000600999605 362122900 /nfs/dbraw/zinc/12/29/00/362122900.db2.gz BGTVNYHRVGDWRW-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000600999605 362122904 /nfs/dbraw/zinc/12/29/04/362122904.db2.gz BGTVNYHRVGDWRW-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000600999605 362122906 /nfs/dbraw/zinc/12/29/06/362122906.db2.gz BGTVNYHRVGDWRW-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)NCC[C@@H](C)[NH+](C)C ZINC000617756439 365758604 /nfs/dbraw/zinc/75/86/04/365758604.db2.gz GWEQBUQWOAYVFP-NEPJUHHUSA-N 2 2 257.378 0.164 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)NCC[C@@H](C)[NH+](C)C ZINC000617756439 365758610 /nfs/dbraw/zinc/75/86/10/365758610.db2.gz GWEQBUQWOAYVFP-NEPJUHHUSA-N 2 2 257.378 0.164 20 0 CCADLP C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH+](C)C ZINC000617761357 365765172 /nfs/dbraw/zinc/76/51/72/365765172.db2.gz RGJMMPYOIDHXSX-IJLUTSLNSA-N 2 2 264.373 0.980 20 0 CCADLP CCOc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)on1 ZINC000617763739 365765904 /nfs/dbraw/zinc/76/59/04/365765904.db2.gz ZBBJEZCYYZMOHL-UHFFFAOYSA-N 2 2 298.387 0.687 20 0 CCADLP CCOc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)on1 ZINC000617763739 365765907 /nfs/dbraw/zinc/76/59/07/365765907.db2.gz ZBBJEZCYYZMOHL-UHFFFAOYSA-N 2 2 298.387 0.687 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCC(C)(C)O1 ZINC000617764133 365766810 /nfs/dbraw/zinc/76/68/10/365766810.db2.gz KNWFOMXHKCKTEQ-CYBMUJFWSA-N 2 2 285.432 0.944 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCC(C)(C)O1 ZINC000617764133 365766812 /nfs/dbraw/zinc/76/68/12/365766812.db2.gz KNWFOMXHKCKTEQ-CYBMUJFWSA-N 2 2 285.432 0.944 20 0 CCADLP C[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1cncnc1 ZINC000617764983 365768579 /nfs/dbraw/zinc/76/85/79/365768579.db2.gz OXCOHEBSHMCFMT-CYBMUJFWSA-N 2 2 293.415 0.580 20 0 CCADLP C[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1cncnc1 ZINC000617764983 365768583 /nfs/dbraw/zinc/76/85/83/365768583.db2.gz OXCOHEBSHMCFMT-CYBMUJFWSA-N 2 2 293.415 0.580 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccncn1 ZINC000617765011 365769165 /nfs/dbraw/zinc/76/91/65/365769165.db2.gz PWDHNUZDVXYZPO-UHFFFAOYSA-N 2 2 265.361 0.090 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccncn1 ZINC000617765011 365769169 /nfs/dbraw/zinc/76/91/69/365769169.db2.gz PWDHNUZDVXYZPO-UHFFFAOYSA-N 2 2 265.361 0.090 20 0 CCADLP COCC1(C(=O)NCC[N@H+](C)CCC[NH+](C)C)CC1 ZINC000617765216 365770396 /nfs/dbraw/zinc/77/03/96/365770396.db2.gz XSKBIMWUFJNLTJ-UHFFFAOYSA-N 2 2 271.405 0.413 20 0 CCADLP COCC1(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000617765216 365770406 /nfs/dbraw/zinc/77/04/06/365770406.db2.gz XSKBIMWUFJNLTJ-UHFFFAOYSA-N 2 2 271.405 0.413 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCCO1 ZINC000617765711 365771404 /nfs/dbraw/zinc/77/14/04/365771404.db2.gz NAQSYHXEGYHOAE-GFCCVEGCSA-N 2 2 257.378 0.165 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCCO1 ZINC000617765711 365771407 /nfs/dbraw/zinc/77/14/07/365771407.db2.gz NAQSYHXEGYHOAE-GFCCVEGCSA-N 2 2 257.378 0.165 20 0 CCADLP Cc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(C)nn1 ZINC000617765587 365771711 /nfs/dbraw/zinc/77/17/11/365771711.db2.gz HZKYBRWVHUTCFI-UHFFFAOYSA-N 2 2 293.415 0.707 20 0 CCADLP Cc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c(C)nn1 ZINC000617765587 365771714 /nfs/dbraw/zinc/77/17/14/365771714.db2.gz HZKYBRWVHUTCFI-UHFFFAOYSA-N 2 2 293.415 0.707 20 0 CCADLP C[N@@H+]1CC[C@@H]2OCCN(C(=O)/C=C/c3[nH]cc[nH+]3)[C@@H]2C1 ZINC000493074307 529798514 /nfs/dbraw/zinc/79/85/14/529798514.db2.gz ULOZMFSMRXARRX-FQVTYBBZSA-N 2 2 276.340 0.354 20 0 CCADLP C[N@H+]1CC[C@@H]2OCCN(C(=O)/C=C/c3[nH]cc[nH+]3)[C@@H]2C1 ZINC000493074307 529798515 /nfs/dbraw/zinc/79/85/15/529798515.db2.gz ULOZMFSMRXARRX-FQVTYBBZSA-N 2 2 276.340 0.354 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000114479440 349833262 /nfs/dbraw/zinc/83/32/62/349833262.db2.gz QSAKQWMCMXGJRF-LBPRGKRZSA-N 2 2 296.415 0.638 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000114479440 349833264 /nfs/dbraw/zinc/83/32/64/349833264.db2.gz QSAKQWMCMXGJRF-LBPRGKRZSA-N 2 2 296.415 0.638 20 0 CCADLP CN(C)c1[nH+]cc(C[NH+]2CCC(OCCO)CC2)n1C ZINC000425337350 529807620 /nfs/dbraw/zinc/80/76/20/529807620.db2.gz NFWAPDYZRJNLIW-UHFFFAOYSA-N 2 2 282.388 0.459 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCn2cnnc2C2CC2)n1C ZINC000425339763 529809750 /nfs/dbraw/zinc/80/97/50/529809750.db2.gz CYYQTZLHKKRSDE-UHFFFAOYSA-N 2 2 289.387 0.745 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000418380408 290712760 /nfs/dbraw/zinc/71/27/60/290712760.db2.gz HKQHWFNSRBEAPC-BFHYXJOUSA-N 2 2 298.431 0.347 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@@](C)(CO)c1cccc(O)c1)C1CC1 ZINC000451036517 529960047 /nfs/dbraw/zinc/96/00/47/529960047.db2.gz FRWKQKAXUITIEM-CVEARBPZSA-N 2 2 294.395 0.644 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@@](C)(CO)c1cccc(O)c1)C1CC1 ZINC000451036517 529960048 /nfs/dbraw/zinc/96/00/48/529960048.db2.gz FRWKQKAXUITIEM-CVEARBPZSA-N 2 2 294.395 0.644 20 0 CCADLP C[NH2+]CCCNC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000418274178 529967624 /nfs/dbraw/zinc/96/76/24/529967624.db2.gz ATPKOZOWNKAICG-UHFFFAOYSA-N 2 2 291.399 0.831 20 0 CCADLP C[NH2+]CCCNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000418276471 529967700 /nfs/dbraw/zinc/96/77/00/529967700.db2.gz FTMPPVAOOFHVLQ-UHFFFAOYSA-N 2 2 280.372 0.716 20 0 CCADLP CC[N@@H+]1CCCN(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000118894577 349910543 /nfs/dbraw/zinc/91/05/43/349910543.db2.gz MEHOERUOZBVJJU-UHFFFAOYSA-N 2 2 284.404 0.056 20 0 CCADLP CC[N@H+]1CCCN(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000118894577 349910547 /nfs/dbraw/zinc/91/05/47/349910547.db2.gz MEHOERUOZBVJJU-UHFFFAOYSA-N 2 2 284.404 0.056 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000417798623 529984515 /nfs/dbraw/zinc/98/45/15/529984515.db2.gz QZKUJFXJHQERNB-PRHODGIISA-N 2 2 271.311 0.936 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000418366392 529995494 /nfs/dbraw/zinc/99/54/94/529995494.db2.gz FRYRHQISTMLWIK-ZDUSSCGKSA-N 2 2 291.399 0.769 20 0 CCADLP COC(=O)c1cn([C@H]2CC[N@H+](CC34CC(C3)C[NH2+]4)C2)nn1 ZINC000602020339 362460213 /nfs/dbraw/zinc/46/02/13/362460213.db2.gz JXWNKOUTMDOYPT-CVZZAPKMSA-N 2 2 291.355 0.064 20 0 CCADLP COC(=O)c1cn([C@H]2CC[N@@H+](CC34CC(C3)C[NH2+]4)C2)nn1 ZINC000602020339 362460217 /nfs/dbraw/zinc/46/02/17/362460217.db2.gz JXWNKOUTMDOYPT-CVZZAPKMSA-N 2 2 291.355 0.064 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)CC1 ZINC000451600294 530068316 /nfs/dbraw/zinc/06/83/16/530068316.db2.gz GWTLXBLDZVJSMD-GDBMZVCRSA-N 2 2 295.427 0.147 20 0 CCADLP Cc1cc(C)n2c(C[NH2+]C[C@@]3(O)CC[N@@H+](C)C3)cnc2n1 ZINC000358160309 232053244 /nfs/dbraw/zinc/05/32/44/232053244.db2.gz CXSIWWYKPQYUFO-HNNXBMFYSA-N 2 2 289.383 0.502 20 0 CCADLP Cc1cc(C)n2c(C[NH2+]C[C@@]3(O)CC[N@H+](C)C3)cnc2n1 ZINC000358160309 232053247 /nfs/dbraw/zinc/05/32/47/232053247.db2.gz CXSIWWYKPQYUFO-HNNXBMFYSA-N 2 2 289.383 0.502 20 0 CCADLP COc1ccccc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358159510 232053451 /nfs/dbraw/zinc/05/34/51/232053451.db2.gz CFFQRESBSPGDJE-AWEZNQCLSA-N 2 2 250.342 0.851 20 0 CCADLP COc1ccccc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358159510 232053455 /nfs/dbraw/zinc/05/34/55/232053455.db2.gz CFFQRESBSPGDJE-AWEZNQCLSA-N 2 2 250.342 0.851 20 0 CCADLP CCOCCC[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000119315560 349929152 /nfs/dbraw/zinc/92/91/52/349929152.db2.gz FFBKXZLPWPFSMQ-UHFFFAOYSA-N 2 2 266.389 0.964 20 0 CCADLP COC(=O)c1cc(C[NH2+]CCC[NH+]2CCC(O)CC2)on1 ZINC000602522771 362656197 /nfs/dbraw/zinc/65/61/97/362656197.db2.gz GKUKHAOBDUHKGH-UHFFFAOYSA-N 2 2 297.355 0.398 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)[nH]c1C ZINC000602611850 362713266 /nfs/dbraw/zinc/71/32/66/362713266.db2.gz LUECGRADRWQJNZ-AWEZNQCLSA-N 2 2 281.356 0.266 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)[nH]c1C ZINC000602611850 362713271 /nfs/dbraw/zinc/71/32/71/362713271.db2.gz LUECGRADRWQJNZ-AWEZNQCLSA-N 2 2 281.356 0.266 20 0 CCADLP CC[NH+]1CCC([NH2+]C2CN(c3ccncn3)C2)CC1 ZINC000631745672 370653218 /nfs/dbraw/zinc/65/32/18/370653218.db2.gz PWKPRQKJIBYFRW-UHFFFAOYSA-N 2 2 261.373 0.739 20 0 CCADLP COC(=O)CC1CC([NH2+][C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](O)C2)C1 ZINC000602733274 362775009 /nfs/dbraw/zinc/77/50/09/362775009.db2.gz AQRBPZHGJCPQMA-ODGNXRKOSA-N 2 2 296.411 0.905 20 0 CCADLP COC(=O)CC1CC([NH2+][C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](O)C2)C1 ZINC000602733274 362775014 /nfs/dbraw/zinc/77/50/14/362775014.db2.gz AQRBPZHGJCPQMA-ODGNXRKOSA-N 2 2 296.411 0.905 20 0 CCADLP CCN(C#N)CC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000602799416 362807256 /nfs/dbraw/zinc/80/72/56/362807256.db2.gz SPKZDGFEURVTJK-SOUVJXGZSA-N 2 2 280.416 0.973 20 0 CCADLP CCN(C#N)CC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000602799416 362807260 /nfs/dbraw/zinc/80/72/60/362807260.db2.gz SPKZDGFEURVTJK-SOUVJXGZSA-N 2 2 280.416 0.973 20 0 CCADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261556073 137008040 /nfs/dbraw/zinc/00/80/40/137008040.db2.gz BVQDEHSIIFUWRP-YNEHKIRRSA-N 2 2 253.390 0.831 20 0 CCADLP CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261556073 137008041 /nfs/dbraw/zinc/00/80/41/137008041.db2.gz BVQDEHSIIFUWRP-YNEHKIRRSA-N 2 2 253.390 0.831 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)on1 ZINC000261576485 137009677 /nfs/dbraw/zinc/00/96/77/137009677.db2.gz CEMMTNLFBLQYRN-AXFHLTTASA-N 2 2 264.329 0.591 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)on1 ZINC000261576485 137009678 /nfs/dbraw/zinc/00/96/78/137009678.db2.gz CEMMTNLFBLQYRN-AXFHLTTASA-N 2 2 264.329 0.591 20 0 CCADLP NC(=O)c1cccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261582169 137010167 /nfs/dbraw/zinc/01/01/67/137010167.db2.gz GONFXGTWXYWIKK-HNNXBMFYSA-N 2 2 259.353 0.971 20 0 CCADLP NC(=O)c1cccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261582169 137010168 /nfs/dbraw/zinc/01/01/68/137010168.db2.gz GONFXGTWXYWIKK-HNNXBMFYSA-N 2 2 259.353 0.971 20 0 CCADLP c1c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)nc2ncccn12 ZINC000261610962 137012063 /nfs/dbraw/zinc/01/20/63/137012063.db2.gz SKMPROOMGLKQFB-NWDGAFQWSA-N 2 2 257.341 0.771 20 0 CCADLP c1c(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)nc2ncccn12 ZINC000261610962 137012064 /nfs/dbraw/zinc/01/20/64/137012064.db2.gz SKMPROOMGLKQFB-NWDGAFQWSA-N 2 2 257.341 0.771 20 0 CCADLP C[C@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261656227 137014352 /nfs/dbraw/zinc/01/43/52/137014352.db2.gz YTFPYZXCZJQKNQ-UPJWGTAASA-N 2 2 265.401 0.975 20 0 CCADLP C[C@H](C(=O)NC1CCCC1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261656227 137014353 /nfs/dbraw/zinc/01/43/53/137014353.db2.gz YTFPYZXCZJQKNQ-UPJWGTAASA-N 2 2 265.401 0.975 20 0 CCADLP COC[C@@]1(CNC(=O)CCn2cc[nH+]c2)CCC[NH2+]1 ZINC000261667599 137014909 /nfs/dbraw/zinc/01/49/09/137014909.db2.gz ZQAGQHTVWXLDKE-ZDUSSCGKSA-N 2 2 266.345 0.158 20 0 CCADLP C[C@H](C[NH3+])C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000262393844 137042305 /nfs/dbraw/zinc/04/23/05/137042305.db2.gz OOLXMVCLKOLEKN-SSDOTTSWSA-N 2 2 264.251 0.656 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)c1csc(C[NH3+])n1 ZINC000262659994 137049714 /nfs/dbraw/zinc/04/97/14/137049714.db2.gz FTDJCMUZOFRAKT-UHFFFAOYSA-N 2 2 291.380 0.993 20 0 CCADLP Cc1ccc(NC(=O)C2CC[NH+](CC[NH3+])CC2)nc1 ZINC000263009450 137057002 /nfs/dbraw/zinc/05/70/02/137057002.db2.gz PODGSMOFAYLEGK-UHFFFAOYSA-N 2 2 262.357 0.999 20 0 CCADLP C[C@@]1(C[N@@H+]2CCCC[C@H](S(C)(=O)=O)C2)CC[NH2+]C1 ZINC000261761621 137018785 /nfs/dbraw/zinc/01/87/85/137018785.db2.gz LKHBWBWKEKCKTB-QWHCGFSZSA-N 2 2 274.430 0.885 20 0 CCADLP C[C@@]1(C[N@H+]2CCCC[C@H](S(C)(=O)=O)C2)CC[NH2+]C1 ZINC000261761621 137018786 /nfs/dbraw/zinc/01/87/86/137018786.db2.gz LKHBWBWKEKCKTB-QWHCGFSZSA-N 2 2 274.430 0.885 20 0 CCADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000261824867 137021460 /nfs/dbraw/zinc/02/14/60/137021460.db2.gz PQKJSLMKHBTTEQ-HNNXBMFYSA-N 2 2 265.401 0.962 20 0 CCADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000261824867 137021461 /nfs/dbraw/zinc/02/14/61/137021461.db2.gz PQKJSLMKHBTTEQ-HNNXBMFYSA-N 2 2 265.401 0.962 20 0 CCADLP c1cn(-c2ncccc2CNC2=[NH+]CCCN2)c[nH+]1 ZINC000261906109 137025225 /nfs/dbraw/zinc/02/52/25/137025225.db2.gz XDGQCZPXPWNKAR-UHFFFAOYSA-N 2 2 256.313 0.706 20 0 CCADLP C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000261918544 137025498 /nfs/dbraw/zinc/02/54/98/137025498.db2.gz KEZIMLGQBVRXMX-AGIUHOORSA-N 2 2 251.374 0.539 20 0 CCADLP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000261918544 137025499 /nfs/dbraw/zinc/02/54/99/137025499.db2.gz KEZIMLGQBVRXMX-AGIUHOORSA-N 2 2 251.374 0.539 20 0 CCADLP O=C(NCC1C[NH2+]C1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000261935297 137026461 /nfs/dbraw/zinc/02/64/61/137026461.db2.gz DVJPHXLXXAMKEM-UHFFFAOYSA-N 2 2 257.297 0.217 20 0 CCADLP c1c[nH+]c(CN2CC[NH+](CC3CC[NH2+]CC3)CC2)[nH]1 ZINC000262271134 137034430 /nfs/dbraw/zinc/03/44/30/137034430.db2.gz SMQFIKPBEYQMMX-UHFFFAOYSA-N 3 2 263.389 0.527 20 0 CCADLP O=C(C[C@H]1COCC[NH2+]1)NCCc1cn2c([nH+]1)CCCC2 ZINC000262321789 137037610 /nfs/dbraw/zinc/03/76/10/137037610.db2.gz FJAHHYNJQGPRAW-ZDUSSCGKSA-N 2 2 292.383 0.257 20 0 CCADLP CN(Cc1[nH+]ccn1C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310898394 137072721 /nfs/dbraw/zinc/07/27/21/137072721.db2.gz BWRSMISECGYSTR-GFCCVEGCSA-N 2 2 252.362 0.307 20 0 CCADLP CN(Cc1[nH+]ccn1C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310898394 137072722 /nfs/dbraw/zinc/07/27/22/137072722.db2.gz BWRSMISECGYSTR-GFCCVEGCSA-N 2 2 252.362 0.307 20 0 CCADLP [NH3+]CC[N@H+](CCO)CCc1ccc2c(c1)CCO2 ZINC000342436111 137093714 /nfs/dbraw/zinc/09/37/14/137093714.db2.gz PFTVGCSERLXGEG-UHFFFAOYSA-N 2 2 250.342 0.417 20 0 CCADLP [NH3+]CC[N@@H+](CCO)CCc1ccc2c(c1)CCO2 ZINC000342436111 137093715 /nfs/dbraw/zinc/09/37/15/137093715.db2.gz PFTVGCSERLXGEG-UHFFFAOYSA-N 2 2 250.342 0.417 20 0 CCADLP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cnc([C@@H]2CCCO2)s1 ZINC000263241459 137061178 /nfs/dbraw/zinc/06/11/78/137061178.db2.gz OREWIKMPCRYPNO-WCQGTBRESA-N 2 2 283.397 0.665 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000343482314 137138076 /nfs/dbraw/zinc/13/80/76/137138076.db2.gz WBHUDKCTMCPAGL-MCIONIFRSA-N 2 2 282.432 0.127 20 0 CCADLP COC(=O)[C@](C)(O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000343755177 137154320 /nfs/dbraw/zinc/15/43/20/137154320.db2.gz KRTCUJJCRQZJKU-TZMCWYRMSA-N 2 2 280.324 0.459 20 0 CCADLP COC(=O)[C@](C)(O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000343755177 137154321 /nfs/dbraw/zinc/15/43/21/137154321.db2.gz KRTCUJJCRQZJKU-TZMCWYRMSA-N 2 2 280.324 0.459 20 0 CCADLP CCC[NH+]1CCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000343767533 137156132 /nfs/dbraw/zinc/15/61/32/137156132.db2.gz JDQVWZNHPRZSMO-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000343302710 137126058 /nfs/dbraw/zinc/12/60/58/137126058.db2.gz MGBXIPMKVSFHSN-NSHDSACASA-N 2 2 272.374 0.026 20 0 CCADLP NS(=O)(=O)C[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000343302710 137126059 /nfs/dbraw/zinc/12/60/59/137126059.db2.gz MGBXIPMKVSFHSN-NSHDSACASA-N 2 2 272.374 0.026 20 0 CCADLP O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)[C@@H]1CCC[NH+]1C1CC1 ZINC000343327724 137128478 /nfs/dbraw/zinc/12/84/78/137128478.db2.gz BJWCTJZLHHCCLK-CABCVRRESA-N 2 2 293.411 0.593 20 0 CCADLP O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)[C@@H]1CCC[NH+]1C1CC1 ZINC000343327724 137128479 /nfs/dbraw/zinc/12/84/79/137128479.db2.gz BJWCTJZLHHCCLK-CABCVRRESA-N 2 2 293.411 0.593 20 0 CCADLP O=C(NC[C@@H]1C[NH+](C2CC2)CCO1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000343327724 137128480 /nfs/dbraw/zinc/12/84/80/137128480.db2.gz BJWCTJZLHHCCLK-CABCVRRESA-N 2 2 293.411 0.593 20 0 CCADLP O=C(NC[C@@H]1C[NH+](C2CC2)CCO1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000343327724 137128481 /nfs/dbraw/zinc/12/84/81/137128481.db2.gz BJWCTJZLHHCCLK-CABCVRRESA-N 2 2 293.411 0.593 20 0 CCADLP COCC[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000684434320 545668286 /nfs/dbraw/zinc/66/82/86/545668286.db2.gz JLEZMBOBIAGDRX-ZDUSSCGKSA-N 2 2 280.372 0.569 20 0 CCADLP COCC[N@H+]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000684434320 545668292 /nfs/dbraw/zinc/66/82/92/545668292.db2.gz JLEZMBOBIAGDRX-ZDUSSCGKSA-N 2 2 280.372 0.569 20 0 CCADLP COCC[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000684434320 545668298 /nfs/dbraw/zinc/66/82/98/545668298.db2.gz JLEZMBOBIAGDRX-ZDUSSCGKSA-N 2 2 280.372 0.569 20 0 CCADLP COCC[N@H+]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000684434320 545668301 /nfs/dbraw/zinc/66/83/01/545668301.db2.gz JLEZMBOBIAGDRX-ZDUSSCGKSA-N 2 2 280.372 0.569 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000344256977 137186181 /nfs/dbraw/zinc/18/61/81/137186181.db2.gz HBIAFNJTYULXTE-SOUVJXGZSA-N 3 2 268.449 0.552 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)C1 ZINC000344256977 137186182 /nfs/dbraw/zinc/18/61/82/137186182.db2.gz HBIAFNJTYULXTE-SOUVJXGZSA-N 3 2 268.449 0.552 20 0 CCADLP CC[C@H]([NH3+])C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000037008462 348177929 /nfs/dbraw/zinc/17/79/29/348177929.db2.gz KREXXRZLKFDROE-LBPRGKRZSA-N 2 2 262.357 0.904 20 0 CCADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000037013546 348178590 /nfs/dbraw/zinc/17/85/90/348178590.db2.gz IDPRTLQOYSHZNO-QWHCGFSZSA-N 2 2 272.308 0.534 20 0 CCADLP Cn1c2c(cccc2F)[nH+]c1N1CCO[C@H](C[NH3+])C1 ZINC000420246532 282589448 /nfs/dbraw/zinc/58/94/48/282589448.db2.gz TVHYNKITLAJRIV-SECBINFHSA-N 2 2 264.304 0.876 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000037822997 348211666 /nfs/dbraw/zinc/21/16/66/348211666.db2.gz QVYCBCZXSZRINO-ZDUSSCGKSA-N 2 2 272.352 0.949 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000345180667 137238416 /nfs/dbraw/zinc/23/84/16/137238416.db2.gz SBRULGMJFPBMMS-ZNMIVQPWSA-N 3 2 269.433 0.763 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000345180667 137238417 /nfs/dbraw/zinc/23/84/17/137238417.db2.gz SBRULGMJFPBMMS-ZNMIVQPWSA-N 3 2 269.433 0.763 20 0 CCADLP CC[C@]1(C(=O)N[C@H](C)C[NH+]2CCOCC2)CCC[NH2+]1 ZINC000128805817 187391107 /nfs/dbraw/zinc/39/11/07/187391107.db2.gz LZSILAAZTBLHBM-TZMCWYRMSA-N 2 2 269.389 0.356 20 0 CCADLP CCN(C#N)CC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602877007 362858259 /nfs/dbraw/zinc/85/82/59/362858259.db2.gz JPBLBWYMWXNMGL-ZDUSSCGKSA-N 2 2 254.378 0.178 20 0 CCADLP CCN(C#N)CC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602877007 362858260 /nfs/dbraw/zinc/85/82/60/362858260.db2.gz JPBLBWYMWXNMGL-ZDUSSCGKSA-N 2 2 254.378 0.178 20 0 CCADLP C[C@H]1C[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000042242294 348270539 /nfs/dbraw/zinc/27/05/39/348270539.db2.gz CHIJEFJTKDQMGE-STQMWFEESA-N 2 2 295.427 0.839 20 0 CCADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)NC[C@@H]3CCCO3)C2)C1 ZINC000339433500 215166525 /nfs/dbraw/zinc/16/65/25/215166525.db2.gz KOCKUHMMNSUJSU-GOEBONIOSA-N 2 2 295.427 0.699 20 0 CCADLP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)NC[C@@H]3CCCO3)C2)C1 ZINC000339433500 215166527 /nfs/dbraw/zinc/16/65/27/215166527.db2.gz KOCKUHMMNSUJSU-GOEBONIOSA-N 2 2 295.427 0.699 20 0 CCADLP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)NC[C@@H]3CCCO3)C2)C1 ZINC000339433500 215166529 /nfs/dbraw/zinc/16/65/29/215166529.db2.gz KOCKUHMMNSUJSU-GOEBONIOSA-N 2 2 295.427 0.699 20 0 CCADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)NC[C@@H]3CCCO3)C2)C1 ZINC000339433500 215166530 /nfs/dbraw/zinc/16/65/30/215166530.db2.gz KOCKUHMMNSUJSU-GOEBONIOSA-N 2 2 295.427 0.699 20 0 CCADLP C[C@@H](O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000346090463 137266434 /nfs/dbraw/zinc/26/64/34/137266434.db2.gz WGJNOMMXSYOIQJ-CYBMUJFWSA-N 2 2 283.416 0.434 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]([NH3+])CC(F)F)Cn1cc[nH+]c1 ZINC000345688519 137245783 /nfs/dbraw/zinc/24/57/83/137245783.db2.gz IVBPUGMKTCRHPG-IUCAKERBSA-N 2 2 260.288 0.618 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)C[NH+]1CCOCC1 ZINC000345733499 137249004 /nfs/dbraw/zinc/24/90/04/137249004.db2.gz JBARRLOBRDBRLV-QWRGUYRKSA-N 2 2 291.342 0.068 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)C[NH+]1CCOCC1 ZINC000345733494 137249217 /nfs/dbraw/zinc/24/92/17/137249217.db2.gz JBARRLOBRDBRLV-GHMZBOCLSA-N 2 2 291.342 0.068 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000346288089 137277397 /nfs/dbraw/zinc/27/73/97/137277397.db2.gz PBGHXWIOQUZPCI-YRGRVCCFSA-N 2 2 281.400 0.483 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000346288089 137277398 /nfs/dbraw/zinc/27/73/98/137277398.db2.gz PBGHXWIOQUZPCI-YRGRVCCFSA-N 2 2 281.400 0.483 20 0 CCADLP COC(=O)CCn1nc(C)c(C[N@@H+]2CCC[NH2+]CC2)c1C ZINC000346679756 137299005 /nfs/dbraw/zinc/29/90/05/137299005.db2.gz APKUSDSNVVXGMZ-UHFFFAOYSA-N 2 2 294.399 0.858 20 0 CCADLP COC(=O)CCn1nc(C)c(C[N@H+]2CCC[NH2+]CC2)c1C ZINC000346679756 137299006 /nfs/dbraw/zinc/29/90/06/137299006.db2.gz APKUSDSNVVXGMZ-UHFFFAOYSA-N 2 2 294.399 0.858 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000346153860 137269970 /nfs/dbraw/zinc/26/99/70/137269970.db2.gz RUOICHXMFHGJFE-CYBMUJFWSA-N 2 2 251.330 0.683 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000346153860 137269971 /nfs/dbraw/zinc/26/99/71/137269971.db2.gz RUOICHXMFHGJFE-CYBMUJFWSA-N 2 2 251.330 0.683 20 0 CCADLP CC[N@@H+]1C[C@H](C)N(C[C@@H](O)C[NH+]2CCOCC2)C[C@H]1C ZINC000346199449 137272766 /nfs/dbraw/zinc/27/27/66/137272766.db2.gz VUIJSINQSMMADO-ILXRZTDVSA-N 2 2 285.432 0.094 20 0 CCADLP CC[N@H+]1C[C@H](C)N(C[C@@H](O)C[NH+]2CCOCC2)C[C@H]1C ZINC000346199449 137272767 /nfs/dbraw/zinc/27/27/67/137272767.db2.gz VUIJSINQSMMADO-ILXRZTDVSA-N 2 2 285.432 0.094 20 0 CCADLP COC(=O)[C@@]1(C)C[C@H](OC)C[N@@H+]1CCn1cc[nH+]c1C ZINC000602934250 362895552 /nfs/dbraw/zinc/89/55/52/362895552.db2.gz FWMFORAVPMHCFK-GXTWGEPZSA-N 2 2 281.356 0.844 20 0 CCADLP COC(=O)[C@@]1(C)C[C@H](OC)C[N@H+]1CCn1cc[nH+]c1C ZINC000602934250 362895560 /nfs/dbraw/zinc/89/55/60/362895560.db2.gz FWMFORAVPMHCFK-GXTWGEPZSA-N 2 2 281.356 0.844 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000044797049 348326300 /nfs/dbraw/zinc/32/63/00/348326300.db2.gz WSNQCBIUPBNANF-ZDUSSCGKSA-N 2 2 276.384 0.961 20 0 CCADLP Cc1noc(CN2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)n1 ZINC000346852613 137308659 /nfs/dbraw/zinc/30/86/59/137308659.db2.gz SEIYUIDCCSXFDK-ZDUSSCGKSA-N 2 2 279.388 0.495 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](CC)CC2)CCO1 ZINC000046513276 348359265 /nfs/dbraw/zinc/35/92/65/348359265.db2.gz UZBMDNPDPAFASN-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](CC)CC2)CCO1 ZINC000046513276 348359272 /nfs/dbraw/zinc/35/92/72/348359272.db2.gz UZBMDNPDPAFASN-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP OC[C@@H]([NH2+]CC[NH+]1CCCCC1)[C@@H]1CCCOC1 ZINC000411990744 233001179 /nfs/dbraw/zinc/00/11/79/233001179.db2.gz ILLDVEGXPZJCPN-ZIAGYGMSSA-N 2 2 256.390 0.849 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCSCC2)CC1 ZINC000047993400 348394784 /nfs/dbraw/zinc/39/47/84/348394784.db2.gz AWBWIVLAAPCXQC-LBPRGKRZSA-N 2 2 271.430 0.588 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cnnn1C ZINC000349063777 137385780 /nfs/dbraw/zinc/38/57/80/137385780.db2.gz ROAOTFBYNGRVAL-UHFFFAOYSA-N 2 2 280.420 0.273 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cnnn1C ZINC000349063777 137385781 /nfs/dbraw/zinc/38/57/81/137385781.db2.gz ROAOTFBYNGRVAL-UHFFFAOYSA-N 2 2 280.420 0.273 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCOC)CC1 ZINC000349101832 137386917 /nfs/dbraw/zinc/38/69/17/137386917.db2.gz ZRNKLTUVWZWXRX-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCOC)CC1 ZINC000349101832 137386918 /nfs/dbraw/zinc/38/69/18/137386918.db2.gz ZRNKLTUVWZWXRX-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP COc1ccccc1[C@@H]([NH3+])C(=O)N1CCC[N@H+](C)CC1 ZINC000347684316 137350135 /nfs/dbraw/zinc/35/01/35/137350135.db2.gz GUEOBDJYSIYIJB-CQSZACIVSA-N 2 2 277.368 0.859 20 0 CCADLP COc1ccccc1[C@@H]([NH3+])C(=O)N1CCC[N@@H+](C)CC1 ZINC000347684316 137350136 /nfs/dbraw/zinc/35/01/36/137350136.db2.gz GUEOBDJYSIYIJB-CQSZACIVSA-N 2 2 277.368 0.859 20 0 CCADLP CC[NH+](CC)CCOCCNc1cc[nH+]c(C)n1 ZINC000347863776 137361426 /nfs/dbraw/zinc/36/14/26/137361426.db2.gz XFAHLNPBONKMSE-UHFFFAOYSA-N 2 2 252.362 0.977 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+](C[C@H]2CCOC2)C2CC2)CC1 ZINC000120675861 349999211 /nfs/dbraw/zinc/99/92/11/349999211.db2.gz PYFMRHXPKADLST-CYBMUJFWSA-N 2 2 281.400 0.261 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+](C[C@H]2CCOC2)C2CC2)CC1 ZINC000120675861 349999214 /nfs/dbraw/zinc/99/92/14/349999214.db2.gz PYFMRHXPKADLST-CYBMUJFWSA-N 2 2 281.400 0.261 20 0 CCADLP C[C@]1(C(=O)N2CCN(c3cccc[nH+]3)CC2)CC[NH2+]C1 ZINC000062888874 348671388 /nfs/dbraw/zinc/67/13/88/348671388.db2.gz QTRUFYLXJALBPS-HNNXBMFYSA-N 2 2 274.368 0.730 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000070574396 348892698 /nfs/dbraw/zinc/89/26/98/348892698.db2.gz LBQYANFJOPMGEO-WOPDTQHZSA-N 2 2 250.346 0.905 20 0 CCADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC000070150101 348873671 /nfs/dbraw/zinc/87/36/71/348873671.db2.gz VNYOXODRXIAEFQ-STQMWFEESA-N 2 2 269.389 0.485 20 0 CCADLP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC000070150101 348873674 /nfs/dbraw/zinc/87/36/74/348873674.db2.gz VNYOXODRXIAEFQ-STQMWFEESA-N 2 2 269.389 0.485 20 0 CCADLP C[C@@H]([NH3+])CCC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000070316837 348884585 /nfs/dbraw/zinc/88/45/85/348884585.db2.gz KGCTXCQCYWALEJ-CYBMUJFWSA-N 2 2 276.384 0.853 20 0 CCADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NCCCOC)C1 ZINC000072859310 348936697 /nfs/dbraw/zinc/93/66/97/348936697.db2.gz UPIKAQSKMZHHQM-KBPBESRZSA-N 2 2 285.432 0.801 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NCCCOC)C1 ZINC000072859310 348936699 /nfs/dbraw/zinc/93/66/99/348936699.db2.gz UPIKAQSKMZHHQM-KBPBESRZSA-N 2 2 285.432 0.801 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NCCCOC)C1 ZINC000072859310 348936701 /nfs/dbraw/zinc/93/67/01/348936701.db2.gz UPIKAQSKMZHHQM-KBPBESRZSA-N 2 2 285.432 0.801 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NCCCOC)C1 ZINC000072859310 348936704 /nfs/dbraw/zinc/93/67/04/348936704.db2.gz UPIKAQSKMZHHQM-KBPBESRZSA-N 2 2 285.432 0.801 20 0 CCADLP Cc1[nH]c(C(=O)NCC2([NH+](C)C)CCOCC2)c[nH+]1 ZINC000073132412 348945287 /nfs/dbraw/zinc/94/52/87/348945287.db2.gz PYCGCKUZVXCARQ-UHFFFAOYSA-N 2 2 266.345 0.559 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H](C)[C@H]2C)CC1 ZINC000339561513 215242935 /nfs/dbraw/zinc/24/29/35/215242935.db2.gz DWBJLLPWHJZAJZ-XQQFMLRXSA-N 2 2 253.390 0.879 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@H](C)[C@H]2C)CC1 ZINC000339561513 215242937 /nfs/dbraw/zinc/24/29/37/215242937.db2.gz DWBJLLPWHJZAJZ-XQQFMLRXSA-N 2 2 253.390 0.879 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000073555950 348954639 /nfs/dbraw/zinc/95/46/39/348954639.db2.gz WZICKEOGUVGBCB-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000073555950 348954642 /nfs/dbraw/zinc/95/46/42/348954642.db2.gz WZICKEOGUVGBCB-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP O[C@H](CN1CC[NH+](C2CCCC2)CC1)C[NH+]1CCOCC1 ZINC000075673034 349045447 /nfs/dbraw/zinc/04/54/47/349045447.db2.gz PRTTVESALPMYQD-MRXNPFEDSA-N 2 2 297.443 0.240 20 0 CCADLP C[C@@H](CNc1cc[nH+]c(N(C)C)n1)C[NH+]1CCOCC1 ZINC000077226560 349103392 /nfs/dbraw/zinc/10/33/92/349103392.db2.gz IISADUHSRIQVKP-LBPRGKRZSA-N 2 2 279.388 0.923 20 0 CCADLP C[C@H](CNc1cc[nH+]c(N(C)C)n1)[NH+]1CCOCC1 ZINC000077488264 349111281 /nfs/dbraw/zinc/11/12/81/349111281.db2.gz NIMBHDDWRCEWQL-LLVKDONJSA-N 2 2 265.361 0.675 20 0 CCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000078758810 349152273 /nfs/dbraw/zinc/15/22/73/349152273.db2.gz MRPYXATZYKZKOI-NEPJUHHUSA-N 2 2 285.388 0.032 20 0 CCADLP CC(C)C[C@@H](CNC(=O)[C@]1(C)CCC[NH2+]1)[NH+]1CCOCC1 ZINC000079519583 349182216 /nfs/dbraw/zinc/18/22/16/349182216.db2.gz SVJFHFVCWLPJJX-HOCLYGCPSA-N 2 2 297.443 0.992 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CCOC1)C[N@@H+]1CCc2ccccc2C1 ZINC000088679623 349369997 /nfs/dbraw/zinc/36/99/97/349369997.db2.gz XJAXAVIMCRUDRV-HZPDHXFCSA-N 2 2 276.380 0.784 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CCOC1)C[N@H+]1CCc2ccccc2C1 ZINC000088679623 349369999 /nfs/dbraw/zinc/36/99/99/349369999.db2.gz XJAXAVIMCRUDRV-HZPDHXFCSA-N 2 2 276.380 0.784 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H]2CCC[C@H]2O)n1C ZINC000089159737 349377742 /nfs/dbraw/zinc/37/77/42/349377742.db2.gz VGKDGVZKRCRMOF-CMPLNLGQSA-N 2 2 252.362 0.737 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2ccccc2Cl)[C@@H](C[NH3+])C1 ZINC000120757710 350003962 /nfs/dbraw/zinc/00/39/62/350003962.db2.gz KULGGEGYDIBEPE-LBPRGKRZSA-N 2 2 281.787 0.984 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2ccccc2Cl)[C@@H](C[NH3+])C1 ZINC000120757710 350003964 /nfs/dbraw/zinc/00/39/64/350003964.db2.gz KULGGEGYDIBEPE-LBPRGKRZSA-N 2 2 281.787 0.984 20 0 CCADLP Cc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])n1C ZINC000120763991 350004255 /nfs/dbraw/zinc/00/42/55/350004255.db2.gz CLUIOZSWKKWTKE-LLVKDONJSA-N 2 2 250.346 0.048 20 0 CCADLP Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])n1C ZINC000120763991 350004260 /nfs/dbraw/zinc/00/42/60/350004260.db2.gz CLUIOZSWKKWTKE-LLVKDONJSA-N 2 2 250.346 0.048 20 0 CCADLP C[N@@H+]1CCN(C(=O)COc2ccc(Cl)cc2)[C@@H](C[NH3+])C1 ZINC000120778221 350004885 /nfs/dbraw/zinc/00/48/85/350004885.db2.gz OOMZZAAMNOBRFI-LBPRGKRZSA-N 2 2 297.786 0.820 20 0 CCADLP C[N@H+]1CCN(C(=O)COc2ccc(Cl)cc2)[C@@H](C[NH3+])C1 ZINC000120778221 350004887 /nfs/dbraw/zinc/00/48/87/350004887.db2.gz OOMZZAAMNOBRFI-LBPRGKRZSA-N 2 2 297.786 0.820 20 0 CCADLP COC(=O)CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)CC(C)C ZINC000120885161 350010983 /nfs/dbraw/zinc/01/09/83/350010983.db2.gz XOKHUICSRFUCGR-UHFFFAOYSA-N 2 2 299.415 0.282 20 0 CCADLP COC(=O)CC[N@H+](CC(=O)N1CC[NH+](C)CC1)CC(C)C ZINC000120885161 350010986 /nfs/dbraw/zinc/01/09/86/350010986.db2.gz XOKHUICSRFUCGR-UHFFFAOYSA-N 2 2 299.415 0.282 20 0 CCADLP C[N@@H+]1CCN(Cc2cnn(-c3ccccc3)c2)[C@H](C[NH3+])C1 ZINC000124244116 350093016 /nfs/dbraw/zinc/09/30/16/350093016.db2.gz HWQXZLXOPVCIAQ-MRXNPFEDSA-N 2 2 285.395 0.947 20 0 CCADLP C[N@H+]1CCN(Cc2cnn(-c3ccccc3)c2)[C@H](C[NH3+])C1 ZINC000124244116 350093017 /nfs/dbraw/zinc/09/30/17/350093017.db2.gz HWQXZLXOPVCIAQ-MRXNPFEDSA-N 2 2 285.395 0.947 20 0 CCADLP C[NH+]1CCN(CC(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000127078193 350160300 /nfs/dbraw/zinc/16/03/00/350160300.db2.gz HKHIIJUYVYYQMU-UHFFFAOYSA-N 2 2 291.399 0.247 20 0 CCADLP C[C@H](O)[C@H]1CCN(c2cc(NCC[NH+](C)C)nc[nH+]2)C1 ZINC000413025621 233309771 /nfs/dbraw/zinc/30/97/71/233309771.db2.gz REVSWKGJBKXZBH-RYUDHWBXSA-N 2 2 279.388 0.657 20 0 CCADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCn1nc2ccccn2c1=O ZINC000129076345 350204579 /nfs/dbraw/zinc/20/45/79/350204579.db2.gz VYVKPZTWANAMKR-NWDGAFQWSA-N 2 2 275.356 0.308 20 0 CCADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCn1nc2ccccn2c1=O ZINC000129076345 350204581 /nfs/dbraw/zinc/20/45/81/350204581.db2.gz VYVKPZTWANAMKR-NWDGAFQWSA-N 2 2 275.356 0.308 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000091666955 180222059 /nfs/dbraw/zinc/22/20/59/180222059.db2.gz OPHGTFAVIXEZIE-LLVKDONJSA-N 2 2 257.378 0.198 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000091666955 180222061 /nfs/dbraw/zinc/22/20/61/180222061.db2.gz OPHGTFAVIXEZIE-LLVKDONJSA-N 2 2 257.378 0.198 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C[NH3+])c2ccccc2)C1 ZINC000091666970 180222317 /nfs/dbraw/zinc/22/23/17/180222317.db2.gz RGIBTTHIRJNPKY-KBPBESRZSA-N 2 2 277.368 0.176 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H](C[NH3+])c2ccccc2)C1 ZINC000091666970 180222318 /nfs/dbraw/zinc/22/23/18/180222318.db2.gz RGIBTTHIRJNPKY-KBPBESRZSA-N 2 2 277.368 0.176 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)C[C@H]1CC[NH2+]C1 ZINC000130426989 350237136 /nfs/dbraw/zinc/23/71/36/350237136.db2.gz LEKDLETZXVUDDZ-LLVKDONJSA-N 2 2 262.357 0.763 20 0 CCADLP C[N@@H+]1CCO[C@H]2CN(CC[NH+]3CCCCC3)C[C@@H]21 ZINC000130895538 350253078 /nfs/dbraw/zinc/25/30/78/350253078.db2.gz RZCRRYULIGLUSX-KBPBESRZSA-N 2 2 253.390 0.487 20 0 CCADLP C[N@H+]1CCO[C@H]2CN(CC[NH+]3CCCCC3)C[C@@H]21 ZINC000130895538 350253083 /nfs/dbraw/zinc/25/30/83/350253083.db2.gz RZCRRYULIGLUSX-KBPBESRZSA-N 2 2 253.390 0.487 20 0 CCADLP COc1c(N)[nH+]cnc1N(C)CC1CC[NH+](C)CC1 ZINC000134887344 350378448 /nfs/dbraw/zinc/37/84/48/350378448.db2.gz NUGXAERMHJSTNS-UHFFFAOYSA-N 2 2 265.361 0.845 20 0 CCADLP COc1c(N)nc[nH+]c1N(C)CC1CC[NH+](C)CC1 ZINC000134887344 350378453 /nfs/dbraw/zinc/37/84/53/350378453.db2.gz NUGXAERMHJSTNS-UHFFFAOYSA-N 2 2 265.361 0.845 20 0 CCADLP CC(C)(C)[NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000136033767 350412608 /nfs/dbraw/zinc/41/26/08/350412608.db2.gz YSKWVWVSBCSJOE-NSHDSACASA-N 2 2 264.373 0.950 20 0 CCADLP CC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000141645512 350454435 /nfs/dbraw/zinc/45/44/35/350454435.db2.gz RQKXYGNVEMMPOD-CYBMUJFWSA-N 2 2 267.373 0.204 20 0 CCADLP CC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000141645512 350454438 /nfs/dbraw/zinc/45/44/38/350454438.db2.gz RQKXYGNVEMMPOD-CYBMUJFWSA-N 2 2 267.373 0.204 20 0 CCADLP COCC[NH2+]CC(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000092495473 180397085 /nfs/dbraw/zinc/39/70/85/180397085.db2.gz VPWWFROPRTYDIG-UHFFFAOYSA-N 2 2 275.312 0.442 20 0 CCADLP C[C@@H](CN[C@H]1CC[N@@H+](C2CC2)C1)C[NH+]1CCOCC1 ZINC000153275836 350555568 /nfs/dbraw/zinc/55/55/68/350555568.db2.gz VAKFKRTZBPKNQS-KBPBESRZSA-N 2 2 267.417 0.781 20 0 CCADLP C[C@@H](CN[C@H]1CC[N@H+](C2CC2)C1)C[NH+]1CCOCC1 ZINC000153275836 350555574 /nfs/dbraw/zinc/55/55/74/350555574.db2.gz VAKFKRTZBPKNQS-KBPBESRZSA-N 2 2 267.417 0.781 20 0 CCADLP CCCNC(=O)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109752459 186270986 /nfs/dbraw/zinc/27/09/86/186270986.db2.gz OMFUAGBNNSLRRW-HNNXBMFYSA-N 2 2 296.459 0.615 20 0 CCADLP CCCNC(=O)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000109752459 186270987 /nfs/dbraw/zinc/27/09/87/186270987.db2.gz OMFUAGBNNSLRRW-HNNXBMFYSA-N 2 2 296.459 0.615 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000157265149 350642189 /nfs/dbraw/zinc/64/21/89/350642189.db2.gz UASNYFOFSFWTRP-CQSZACIVSA-N 2 2 270.336 0.955 20 0 CCADLP CCNC(=O)C[NH+]1CCN(CC[NH+]2CCCCC2)CC1 ZINC000110117188 186286174 /nfs/dbraw/zinc/28/61/74/186286174.db2.gz KMQSBUYNPLNLAE-UHFFFAOYSA-N 2 2 282.432 0.226 20 0 CCADLP COC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000159099268 350668255 /nfs/dbraw/zinc/66/82/55/350668255.db2.gz PEQLEMDLBQGUHD-CQSZACIVSA-N 2 2 277.368 0.305 20 0 CCADLP CCNC(=O)C[NH+]1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000163356453 350764155 /nfs/dbraw/zinc/76/41/55/350764155.db2.gz PZBNKNPVYAKGKZ-AWEZNQCLSA-N 2 2 282.432 0.224 20 0 CCADLP CCNC(=O)C[NH+]1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000163356453 350764157 /nfs/dbraw/zinc/76/41/57/350764157.db2.gz PZBNKNPVYAKGKZ-AWEZNQCLSA-N 2 2 282.432 0.224 20 0 CCADLP C[C@@H]([NH3+])C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000168171324 350821796 /nfs/dbraw/zinc/82/17/96/350821796.db2.gz XARDTYNSBLORDQ-NEPJUHHUSA-N 2 2 297.424 0.927 20 0 CCADLP C[C@]1(C(=O)NCCc2cn3ccccc3[nH+]2)CC[NH2+]C1 ZINC000164233716 350776653 /nfs/dbraw/zinc/77/66/53/350776653.db2.gz MPXDNIBTWYXWLR-HNNXBMFYSA-N 2 2 272.352 0.993 20 0 CCADLP C[C@@]1(C(=O)NCc2cccnc2-n2cc[nH+]c2)CC[NH2+]C1 ZINC000164798230 350783144 /nfs/dbraw/zinc/78/31/44/350783144.db2.gz PKIIRGLYKMZLLO-OAHLLOKOSA-N 2 2 285.351 0.883 20 0 CCADLP COC1(C(=O)NCc2ccc[nH+]c2N(C)C)CC[NH2+]CC1 ZINC000164941500 350784996 /nfs/dbraw/zinc/78/49/96/350784996.db2.gz HZDGVLKWDFYKAP-UHFFFAOYSA-N 2 2 292.383 0.532 20 0 CCADLP C[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]1)Cn1cc[nH+]c1 ZINC000165587872 350791745 /nfs/dbraw/zinc/79/17/45/350791745.db2.gz JNHIJELJEUZSGO-RYUDHWBXSA-N 2 2 250.346 0.778 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000169274190 350837759 /nfs/dbraw/zinc/83/77/59/350837759.db2.gz IHYOYPKDBUYBMN-LBPRGKRZSA-N 2 2 287.429 0.218 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)NCCCn1cc[nH+]c1 ZINC000170739884 350856035 /nfs/dbraw/zinc/85/60/35/350856035.db2.gz LFOAQGDZAYPIHN-UHFFFAOYSA-N 2 2 295.387 0.247 20 0 CCADLP COCCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000170740937 350856422 /nfs/dbraw/zinc/85/64/22/350856422.db2.gz ALQOOMDXUMFBNW-UHFFFAOYSA-N 2 2 286.420 0.300 20 0 CCADLP COCCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000170740937 350856424 /nfs/dbraw/zinc/85/64/24/350856424.db2.gz ALQOOMDXUMFBNW-UHFFFAOYSA-N 2 2 286.420 0.300 20 0 CCADLP COC(=O)CNC(=O)[C@@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111243498 186374642 /nfs/dbraw/zinc/37/46/42/186374642.db2.gz SNPUMZKRHYGRBG-LLVKDONJSA-N 2 2 294.355 0.198 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](COC)C2)CC1 ZINC000171997859 350950914 /nfs/dbraw/zinc/95/09/14/350950914.db2.gz NUMSQCROQVXWMD-CABCVRRESA-N 2 2 297.443 0.897 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](COC)C2)CC1 ZINC000171997859 350950916 /nfs/dbraw/zinc/95/09/16/350950916.db2.gz NUMSQCROQVXWMD-CABCVRRESA-N 2 2 297.443 0.897 20 0 CCADLP C[C@@H]1C[C@@H](N(C)C(=O)NCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000173891676 351059909 /nfs/dbraw/zinc/05/99/09/351059909.db2.gz QGGLTOCSILOOJS-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1C[C@@H](N(C)C(=O)NCC[NH+]2CCOCC2)CC[N@H+]1C ZINC000173891676 351059911 /nfs/dbraw/zinc/05/99/11/351059911.db2.gz QGGLTOCSILOOJS-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H](NC(=O)N(C)CC[NH+](C)C)[C@@H](C)[NH+]1CCOCC1 ZINC000176335255 351169104 /nfs/dbraw/zinc/16/91/04/351169104.db2.gz WJWRIJQAZNYNLP-CHWSQXEVSA-N 2 2 286.420 0.299 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@H]([NH3+])c2ccccc2)CCO1 ZINC000178743877 351243157 /nfs/dbraw/zinc/24/31/57/351243157.db2.gz YJUAGOGTYSKLMA-CQSZACIVSA-N 2 2 291.395 0.913 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@H]([NH3+])c2ccccc2)CCO1 ZINC000178743877 351243158 /nfs/dbraw/zinc/24/31/58/351243158.db2.gz YJUAGOGTYSKLMA-CQSZACIVSA-N 2 2 291.395 0.913 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000178744845 351243953 /nfs/dbraw/zinc/24/39/53/351243953.db2.gz DTMMVJCHFXXQCI-RYUDHWBXSA-N 2 2 271.405 0.587 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000178744845 351243955 /nfs/dbraw/zinc/24/39/55/351243955.db2.gz DTMMVJCHFXXQCI-RYUDHWBXSA-N 2 2 271.405 0.587 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000178763897 351244785 /nfs/dbraw/zinc/24/47/85/351244785.db2.gz BYROPQDMPGFXOZ-LBPRGKRZSA-N 2 2 269.389 0.356 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000178763897 351244788 /nfs/dbraw/zinc/24/47/88/351244788.db2.gz BYROPQDMPGFXOZ-LBPRGKRZSA-N 2 2 269.389 0.356 20 0 CCADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000177839027 351214382 /nfs/dbraw/zinc/21/43/82/351214382.db2.gz DTDKQDBIRWALET-KBPBESRZSA-N 2 2 283.416 0.555 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000177839027 351214383 /nfs/dbraw/zinc/21/43/83/351214383.db2.gz DTDKQDBIRWALET-KBPBESRZSA-N 2 2 283.416 0.555 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000177839027 351214385 /nfs/dbraw/zinc/21/43/85/351214385.db2.gz DTDKQDBIRWALET-KBPBESRZSA-N 2 2 283.416 0.555 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000177839027 351214387 /nfs/dbraw/zinc/21/43/87/351214387.db2.gz DTDKQDBIRWALET-KBPBESRZSA-N 2 2 283.416 0.555 20 0 CCADLP c1[nH]cc(CN2CC[NH+](C3CCOCC3)CC2)[nH+]1 ZINC000179849075 351277691 /nfs/dbraw/zinc/27/76/91/351277691.db2.gz ZHBBGRRKAOCSAI-UHFFFAOYSA-N 2 2 250.346 0.706 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000339815743 215348667 /nfs/dbraw/zinc/34/86/67/215348667.db2.gz WGJFSVDBENQZLI-VXGBXAGGSA-N 2 2 257.378 0.164 20 0 CCADLP C[C@H](C(=O)N1CCC(C[NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000339813579 215349190 /nfs/dbraw/zinc/34/91/90/215349190.db2.gz NQSZMHTYLBKWDU-CYBMUJFWSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@H]1CC[C@@H](C[NH+]2CCN(C(=O)C[NH+](C)C)CC2)O1 ZINC000190376744 351720744 /nfs/dbraw/zinc/72/07/44/351720744.db2.gz VWBPSADQJIJUHW-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP C[C@H]1CC[C@@H](C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)O1 ZINC000190513202 351725819 /nfs/dbraw/zinc/72/58/19/351725819.db2.gz ZLTUZFIXNSRSFH-GJZGRUSLSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2cnns2)CC1 ZINC000192371866 351786750 /nfs/dbraw/zinc/78/67/50/351786750.db2.gz IZEDNTJNIWIPIJ-UHFFFAOYSA-N 2 2 298.416 0.686 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000192513371 351789620 /nfs/dbraw/zinc/78/96/20/351789620.db2.gz UGNPJZYPWKYVEK-INIZCTEOSA-N 2 2 291.395 0.651 20 0 CCADLP C[C@@H](Cn1cccn1)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000122554153 187038022 /nfs/dbraw/zinc/03/80/22/187038022.db2.gz MQDCVUKZHNHSJH-STQMWFEESA-N 2 2 251.378 0.107 20 0 CCADLP C[C@@H](Cn1cccn1)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000122554153 187038023 /nfs/dbraw/zinc/03/80/23/187038023.db2.gz MQDCVUKZHNHSJH-STQMWFEESA-N 2 2 251.378 0.107 20 0 CCADLP C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000193681274 351840296 /nfs/dbraw/zinc/84/02/96/351840296.db2.gz CHRCKJBWIKJWNC-GWCFXTLKSA-N 2 2 258.325 0.949 20 0 CCADLP CC[C@]1(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CCC[NH2+]1 ZINC000215359979 351936152 /nfs/dbraw/zinc/93/61/52/351936152.db2.gz NFDFOOUIJJGTFA-WCQYABFASA-N 2 2 250.346 0.920 20 0 CCADLP C[NH2+]CCc1ccccc1C(=O)NCC[NH+]1CCOCC1 ZINC000228498103 352074996 /nfs/dbraw/zinc/07/49/96/352074996.db2.gz JNYZGRVIWUTEEE-UHFFFAOYSA-N 2 2 291.395 0.511 20 0 CCADLP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C(=O)N1CCCC1 ZINC000228089138 352068257 /nfs/dbraw/zinc/06/82/57/352068257.db2.gz CVXAWJGAYPOVHD-NSHDSACASA-N 2 2 279.388 0.587 20 0 CCADLP C[N@@H+]1CCN(C(=O)CC[C@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000226612594 352030952 /nfs/dbraw/zinc/03/09/52/352030952.db2.gz SWOWPARCLSFDMW-NWDGAFQWSA-N 2 2 255.362 0.047 20 0 CCADLP C[N@H+]1CCN(C(=O)CC[C@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000226612594 352030954 /nfs/dbraw/zinc/03/09/54/352030954.db2.gz SWOWPARCLSFDMW-NWDGAFQWSA-N 2 2 255.362 0.047 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCOCC[NH+](C)C)C[N@@H+]1C1CC1 ZINC000231675769 352131667 /nfs/dbraw/zinc/13/16/67/352131667.db2.gz GSSRGTHVANUDQD-QWHCGFSZSA-N 3 2 255.406 0.779 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCOCC[NH+](C)C)C[N@H+]1C1CC1 ZINC000231675769 352131669 /nfs/dbraw/zinc/13/16/69/352131669.db2.gz GSSRGTHVANUDQD-QWHCGFSZSA-N 3 2 255.406 0.779 20 0 CCADLP CCc1cc(NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)nc[nH+]1 ZINC000603389586 363106074 /nfs/dbraw/zinc/10/60/74/363106074.db2.gz JURCQPWVPKJEOA-LBPRGKRZSA-N 2 2 291.399 0.460 20 0 CCADLP CCc1cc(NCCC[N@H+]2CCC[C@H](C(N)=O)C2)nc[nH+]1 ZINC000603389586 363106076 /nfs/dbraw/zinc/10/60/76/363106076.db2.gz JURCQPWVPKJEOA-LBPRGKRZSA-N 2 2 291.399 0.460 20 0 CCADLP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C(=O)NC(C)(C)C ZINC000228963133 352086646 /nfs/dbraw/zinc/08/66/46/352086646.db2.gz DKMGEQANAGQQOG-JTQLQIEISA-N 2 2 281.404 0.879 20 0 CCADLP CC[C@@H]([NH3+])C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000237051415 352239599 /nfs/dbraw/zinc/23/95/99/352239599.db2.gz BZAZGASBBFYKCF-GFCCVEGCSA-N 2 2 278.356 0.272 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@]1(C)CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000237488178 352267979 /nfs/dbraw/zinc/26/79/79/352267979.db2.gz NTVDSIIZYQBKHS-GUTXKFCHSA-N 2 2 283.416 0.602 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000237113310 352243954 /nfs/dbraw/zinc/24/39/54/352243954.db2.gz ZOEMWTWCUAHKOD-SNVBAGLBSA-N 2 2 265.313 0.797 20 0 CCADLP C[C@@H]([NH3+])C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000237695572 352279943 /nfs/dbraw/zinc/27/99/43/352279943.db2.gz BYKYPGXHPUZCHT-WDEREUQCSA-N 2 2 278.356 0.270 20 0 CCADLP [NH3+]CCCC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000237923765 352289301 /nfs/dbraw/zinc/28/93/01/352289301.db2.gz HGOWQDQNPFSZDZ-CYBMUJFWSA-N 2 2 287.429 0.049 20 0 CCADLP C[NH+](C)CCNc1cc(N2CCOCC2)[nH+]cn1 ZINC000244277873 352309652 /nfs/dbraw/zinc/30/96/52/352309652.db2.gz WSICHHZHAGCLHQ-UHFFFAOYSA-N 2 2 251.334 0.287 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000246212306 352354285 /nfs/dbraw/zinc/35/42/85/352354285.db2.gz FXDDBYAYZUDNBA-NWDGAFQWSA-N 2 2 269.389 0.341 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000246212306 352354290 /nfs/dbraw/zinc/35/42/90/352354290.db2.gz FXDDBYAYZUDNBA-NWDGAFQWSA-N 2 2 269.389 0.341 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NC(=O)NC)C1 ZINC000245442269 352323049 /nfs/dbraw/zinc/32/30/49/352323049.db2.gz WEKRJZFDJLUVOJ-NEPJUHHUSA-N 2 2 284.404 0.494 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NC(=O)NC)C1 ZINC000245442269 352323055 /nfs/dbraw/zinc/32/30/55/352323055.db2.gz WEKRJZFDJLUVOJ-NEPJUHHUSA-N 2 2 284.404 0.494 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)NC)C1 ZINC000245442269 352323058 /nfs/dbraw/zinc/32/30/58/352323058.db2.gz WEKRJZFDJLUVOJ-NEPJUHHUSA-N 2 2 284.404 0.494 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)NC)C1 ZINC000245442269 352323061 /nfs/dbraw/zinc/32/30/61/352323061.db2.gz WEKRJZFDJLUVOJ-NEPJUHHUSA-N 2 2 284.404 0.494 20 0 CCADLP C[C@H]1CC[N@H+](CCC(=O)NC(N)=O)C[C@H]1n1cc[nH+]c1 ZINC000247684906 352423925 /nfs/dbraw/zinc/42/39/25/352423925.db2.gz SAEZOSKDKBKSID-WDEREUQCSA-N 2 2 279.344 0.351 20 0 CCADLP C[C@H]1CC[N@@H+](CCC(=O)NC(N)=O)C[C@H]1n1cc[nH+]c1 ZINC000247684906 352423927 /nfs/dbraw/zinc/42/39/27/352423927.db2.gz SAEZOSKDKBKSID-WDEREUQCSA-N 2 2 279.344 0.351 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@H]1C ZINC000248342326 352436195 /nfs/dbraw/zinc/43/61/95/352436195.db2.gz JMOSTJYWAZYBRJ-KBPBESRZSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@H]1C ZINC000248342326 352436197 /nfs/dbraw/zinc/43/61/97/352436197.db2.gz JMOSTJYWAZYBRJ-KBPBESRZSA-N 2 2 297.443 0.944 20 0 CCADLP COc1cc[nH+]c(CN2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c1 ZINC000249216177 352481918 /nfs/dbraw/zinc/48/19/18/352481918.db2.gz FDRFKGGZAKTMSH-STQMWFEESA-N 2 2 279.384 0.977 20 0 CCADLP COc1cc[nH+]c(CN2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c1 ZINC000249216177 352481922 /nfs/dbraw/zinc/48/19/22/352481922.db2.gz FDRFKGGZAKTMSH-STQMWFEESA-N 2 2 279.384 0.977 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252416592 352514118 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20 0 CCADLP CS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261781663 352564279 /nfs/dbraw/zinc/56/42/79/352564279.db2.gz NWLCWTYNEYRFCA-CHWSQXEVSA-N 2 2 274.430 0.885 20 0 CCADLP C[NH2+]CCC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000262028726 352570864 /nfs/dbraw/zinc/57/08/64/352570864.db2.gz BGONFYWDBSHBAY-UHFFFAOYSA-N 2 2 264.251 0.671 20 0 CCADLP CCS(=O)(=O)N(C)C1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000262035836 352572079 /nfs/dbraw/zinc/57/20/79/352572079.db2.gz XSJONEWJFALNQW-UHFFFAOYSA-N 2 2 277.434 0.470 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2nccs2)C1 ZINC000262078671 352575640 /nfs/dbraw/zinc/57/56/40/352575640.db2.gz DUBMSFIJLHYECM-LLVKDONJSA-N 2 2 280.397 0.539 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2nccs2)C1 ZINC000262078671 352575644 /nfs/dbraw/zinc/57/56/44/352575644.db2.gz DUBMSFIJLHYECM-LLVKDONJSA-N 2 2 280.397 0.539 20 0 CCADLP CN(C)c1ncc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000262079559 352576984 /nfs/dbraw/zinc/57/69/84/352576984.db2.gz 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Cc1cc(N2CC[NH+](C[C@H](C)O)CC2)nc(C)[nH+]1 ZINC000275026201 353180440 /nfs/dbraw/zinc/18/04/40/353180440.db2.gz NHAJRWNKXQFWOT-NSHDSACASA-N 2 2 250.346 0.596 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H](CO)C(C)(C)C)C[C@@H](C)O1 ZINC000555976364 290986348 /nfs/dbraw/zinc/98/63/48/290986348.db2.gz QRJGPQIOFGKATF-SYQHCUMBSA-N 2 2 288.432 0.453 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)[NH+]1CCOCC1 ZINC000655447080 412574550 /nfs/dbraw/zinc/57/45/50/412574550.db2.gz OWAYKIRGZFFQPO-KNCOVGOOSA-N 2 2 295.427 0.602 20 0 CCADLP CS(=O)(=O)[C@H]1CCCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000277650555 353256527 /nfs/dbraw/zinc/25/65/27/353256527.db2.gz CXJVPYSCMRBXAV-LBPRGKRZSA-N 2 2 271.386 0.782 20 0 CCADLP CS(=O)(=O)[C@H]1CCCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000277650555 353256528 /nfs/dbraw/zinc/25/65/28/353256528.db2.gz CXJVPYSCMRBXAV-LBPRGKRZSA-N 2 2 271.386 0.782 20 0 CCADLP CC[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)C(=O)OC ZINC000279702501 353310354 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C[C@H](CNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2)[NH+]1CCN(C)CC1 ZINC000655449736 412577128 /nfs/dbraw/zinc/57/71/28/412577128.db2.gz NFFIUWOSEQCGPR-YCPHGPKFSA-N 2 2 294.443 0.128 20 0 CCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000655457318 412579414 /nfs/dbraw/zinc/57/94/14/412579414.db2.gz QBRGAEYSLMJQLZ-UPJWGTAASA-N 2 2 274.368 0.798 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000284046203 353545483 /nfs/dbraw/zinc/54/54/83/353545483.db2.gz QAMHFCSZQCUVDM-QAVQXKDTSA-N 2 2 264.329 0.260 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000284046203 353545486 /nfs/dbraw/zinc/54/54/86/353545486.db2.gz QAMHFCSZQCUVDM-QAVQXKDTSA-N 2 2 264.329 0.260 20 0 CCADLP C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)[C@H](C)[NH+]1CCOCC1 ZINC000284051025 353546073 /nfs/dbraw/zinc/54/60/73/353546073.db2.gz QLCKTLNJUICKSF-LXYZTQFVSA-N 2 2 278.356 0.648 20 0 CCADLP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655463373 412581772 /nfs/dbraw/zinc/58/17/72/412581772.db2.gz MFSSQBBOSHVFGD-VWYCJHECSA-N 2 2 266.320 0.262 20 0 CCADLP CCc1nc(NCC(=O)N2CC[NH+](CC)CC2)cc(C)[nH+]1 ZINC000288024899 353682229 /nfs/dbraw/zinc/68/22/29/353682229.db2.gz SVJXLNVIVJGLTL-UHFFFAOYSA-N 2 2 291.399 0.923 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000290222765 353715988 /nfs/dbraw/zinc/71/59/88/353715988.db2.gz TYGVOXBBMKTVAE-OCCSQVGLSA-N 2 2 292.383 0.261 20 0 CCADLP COCC[N@@H+]1CC[C@@H]([NH2+]Cc2c[nH]c3nccnc23)C1 ZINC000290816983 353752252 /nfs/dbraw/zinc/75/22/52/353752252.db2.gz GQHVBFJKBODRQU-GFCCVEGCSA-N 2 2 275.356 0.768 20 0 CCADLP COCC[N@H+]1CC[C@@H]([NH2+]Cc2c[nH]c3nccnc23)C1 ZINC000290816983 353752256 /nfs/dbraw/zinc/75/22/56/353752256.db2.gz GQHVBFJKBODRQU-GFCCVEGCSA-N 2 2 275.356 0.768 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@H](C)C[NH+](C)C ZINC000293148278 353793474 /nfs/dbraw/zinc/79/34/74/353793474.db2.gz KMICFISGNKBEMA-JTQLQIEISA-N 2 2 294.355 0.343 20 0 CCADLP C[C@@H]([NH2+]C1CC1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000295822474 353920599 /nfs/dbraw/zinc/92/05/99/353920599.db2.gz UVROAJLGGRDSHB-YPMHNXCESA-N 2 2 274.368 0.917 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)CCn1cc[nH+]c1 ZINC000299658456 354037119 /nfs/dbraw/zinc/03/71/19/354037119.db2.gz MMUPNIYTWQSAOV-UHFFFAOYSA-N 2 2 268.361 0.358 20 0 CCADLP COCC[N@@H+](C)CCCNC(=O)CCn1cc[nH+]c1 ZINC000299658456 354037122 /nfs/dbraw/zinc/03/71/22/354037122.db2.gz MMUPNIYTWQSAOV-UHFFFAOYSA-N 2 2 268.361 0.358 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000305112999 354131230 /nfs/dbraw/zinc/13/12/30/354131230.db2.gz GRTZJOWWNIWTTO-APIJFGDWSA-N 3 2 269.433 0.761 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000305112999 354131232 /nfs/dbraw/zinc/13/12/32/354131232.db2.gz GRTZJOWWNIWTTO-APIJFGDWSA-N 3 2 269.433 0.761 20 0 CCADLP Cn1ncc2c1nc(NCC1CC[NH+](C)CC1)[nH+]c2N ZINC000302835627 354090358 /nfs/dbraw/zinc/09/03/58/354090358.db2.gz VSMUBDPUINBMLB-UHFFFAOYSA-N 2 2 275.360 0.699 20 0 CCADLP COC(=O)CC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000304182054 354106405 /nfs/dbraw/zinc/10/64/05/354106405.db2.gz WBHVXKIAGDONOU-UHFFFAOYSA-N 2 2 258.362 0.328 20 0 CCADLP COC(=O)CC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000304182054 354106409 /nfs/dbraw/zinc/10/64/09/354106409.db2.gz WBHVXKIAGDONOU-UHFFFAOYSA-N 2 2 258.362 0.328 20 0 CCADLP Cn1cc[nH+]c1CN1CCC([N@H+](C)CCCO)CC1 ZINC000304158243 354106887 /nfs/dbraw/zinc/10/68/87/354106887.db2.gz NCCOFCSJTHPYDZ-UHFFFAOYSA-N 2 2 266.389 0.699 20 0 CCADLP Cn1cc[nH+]c1CN1CCC([N@@H+](C)CCCO)CC1 ZINC000304158243 354106890 /nfs/dbraw/zinc/10/68/90/354106890.db2.gz NCCOFCSJTHPYDZ-UHFFFAOYSA-N 2 2 266.389 0.699 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNc1cc(-n2cc[nH+]c2)ncn1 ZINC000607145020 363340059 /nfs/dbraw/zinc/34/00/59/363340059.db2.gz PUQHIRVDQHLRRV-GFCCVEGCSA-N 2 2 288.355 0.795 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNc1cc(-n2cc[nH+]c2)ncn1 ZINC000607145020 363340062 /nfs/dbraw/zinc/34/00/62/363340062.db2.gz PUQHIRVDQHLRRV-GFCCVEGCSA-N 2 2 288.355 0.795 20 0 CCADLP C[C@H]1CCCCN1C(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313338463 354213356 /nfs/dbraw/zinc/21/33/56/354213356.db2.gz JWZJCTADLUTPIN-STQMWFEESA-N 2 2 269.389 0.437 20 0 CCADLP C[C@H]1CCCCN1C(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313338463 354213358 /nfs/dbraw/zinc/21/33/58/354213358.db2.gz JWZJCTADLUTPIN-STQMWFEESA-N 2 2 269.389 0.437 20 0 CCADLP COC(=O)C[C@H]1C[N@H+](CCCc2c[nH+]cn2C)CCO1 ZINC000314081221 354221503 /nfs/dbraw/zinc/22/15/03/354221503.db2.gz FFONBMCTKZLIBX-ZDUSSCGKSA-N 2 2 281.356 0.617 20 0 CCADLP COC(=O)C[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)CCO1 ZINC000314081221 354221506 /nfs/dbraw/zinc/22/15/06/354221506.db2.gz FFONBMCTKZLIBX-ZDUSSCGKSA-N 2 2 281.356 0.617 20 0 CCADLP Cc1nc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)nc(N(C)C)[nH+]1 ZINC000330216345 354308539 /nfs/dbraw/zinc/30/85/39/354308539.db2.gz NARYRVWXHIIQLY-GXSJLCMTSA-N 2 2 276.388 0.705 20 0 CCADLP Cc1nc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)nc(N(C)C)[nH+]1 ZINC000330216345 354308540 /nfs/dbraw/zinc/30/85/40/354308540.db2.gz NARYRVWXHIIQLY-GXSJLCMTSA-N 2 2 276.388 0.705 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](C(=O)OC)C2)CC1 ZINC000330449293 354362960 /nfs/dbraw/zinc/36/29/60/354362960.db2.gz ZPCUZMABWYRLSQ-QWHCGFSZSA-N 2 2 297.399 0.034 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](C(=O)OC)C2)CC1 ZINC000330449293 354362964 /nfs/dbraw/zinc/36/29/64/354362964.db2.gz ZPCUZMABWYRLSQ-QWHCGFSZSA-N 2 2 297.399 0.034 20 0 CCADLP C[N@@H+]1CCO[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC000348002813 283025717 /nfs/dbraw/zinc/02/57/17/283025717.db2.gz KOMRDNVUBJCCCU-KBPBESRZSA-N 2 2 293.411 0.546 20 0 CCADLP C[N@H+]1CCO[C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC000348002813 283025718 /nfs/dbraw/zinc/02/57/18/283025718.db2.gz KOMRDNVUBJCCCU-KBPBESRZSA-N 2 2 293.411 0.546 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000331412420 354567540 /nfs/dbraw/zinc/56/75/40/354567540.db2.gz CNNANFCOKBFDSG-ZDUSSCGKSA-N 2 2 276.384 0.972 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000331412420 354567544 /nfs/dbraw/zinc/56/75/44/354567544.db2.gz CNNANFCOKBFDSG-ZDUSSCGKSA-N 2 2 276.384 0.972 20 0 CCADLP Cn1cc([C@@H]2C[N@H+](CC[C@H]3CCCO3)C[C@H]2[NH3+])cn1 ZINC000333363057 354757453 /nfs/dbraw/zinc/75/74/53/354757453.db2.gz DEVXQXQKQLDQBA-HZSPNIEDSA-N 2 2 264.373 0.716 20 0 CCADLP Cn1cc([C@@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@H]2[NH3+])cn1 ZINC000333363057 354757457 /nfs/dbraw/zinc/75/74/57/354757457.db2.gz DEVXQXQKQLDQBA-HZSPNIEDSA-N 2 2 264.373 0.716 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000333653727 354770569 /nfs/dbraw/zinc/77/05/69/354770569.db2.gz WFBUAVIGNAVZDP-STQMWFEESA-N 2 2 284.404 0.134 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000333653727 354770573 /nfs/dbraw/zinc/77/05/73/354770573.db2.gz WFBUAVIGNAVZDP-STQMWFEESA-N 2 2 284.404 0.134 20 0 CCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)C2 ZINC000332897549 354738915 /nfs/dbraw/zinc/73/89/15/354738915.db2.gz KWLSAOJAUCJASJ-TZMCWYRMSA-N 2 2 292.383 0.201 20 0 CCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)C2 ZINC000332897549 354738916 /nfs/dbraw/zinc/73/89/16/354738916.db2.gz KWLSAOJAUCJASJ-TZMCWYRMSA-N 2 2 292.383 0.201 20 0 CCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000333828799 354801265 /nfs/dbraw/zinc/80/12/65/354801265.db2.gz MDUYXOQQPMGWEE-NSHDSACASA-N 2 2 297.403 0.379 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334981951 354939428 /nfs/dbraw/zinc/93/94/28/354939428.db2.gz VFWXTMMNJSRRFN-FZMZJTMJSA-N 2 2 251.374 0.729 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334981951 354939431 /nfs/dbraw/zinc/93/94/31/354939431.db2.gz VFWXTMMNJSRRFN-FZMZJTMJSA-N 2 2 251.374 0.729 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000335033487 354942101 /nfs/dbraw/zinc/94/21/01/354942101.db2.gz UWPNPGUULKEZSD-ZDUSSCGKSA-N 2 2 265.332 0.860 20 0 CCADLP O=C(NC[C@@H]1CC[NH2+]C1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000423575437 235009564 /nfs/dbraw/zinc/00/95/64/235009564.db2.gz QDIIPGVHYWQCIU-TZMCWYRMSA-N 2 2 281.400 0.356 20 0 CCADLP O=C(NC[C@@H]1CC[NH2+]C1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000423575437 235009568 /nfs/dbraw/zinc/00/95/68/235009568.db2.gz QDIIPGVHYWQCIU-TZMCWYRMSA-N 2 2 281.400 0.356 20 0 CCADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000423799566 235084915 /nfs/dbraw/zinc/08/49/15/235084915.db2.gz KOXLTPMVGIMION-BZPMIXESSA-N 2 2 290.367 0.153 20 0 CCADLP C[C@H]1CC[NH2+][C@@H](C(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000423754505 235058813 /nfs/dbraw/zinc/05/88/13/235058813.db2.gz YRYBJWMRCAFIFR-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP Cc1cccn2cc(CC(=O)N3CC[C@H](C[NH3+])C3)[nH+]c12 ZINC000336124795 355097572 /nfs/dbraw/zinc/09/75/72/355097572.db2.gz HWNUODKWKHPBJR-GFCCVEGCSA-N 2 2 272.352 0.992 20 0 CCADLP [NH3+][C@@H]1C[C@@H]1C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000424130845 235156853 /nfs/dbraw/zinc/15/68/53/235156853.db2.gz ICQKPWCQKLLNAA-QWHCGFSZSA-N 2 2 275.352 0.805 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H](C)C1 ZINC000336630037 355127623 /nfs/dbraw/zinc/12/76/23/355127623.db2.gz XZPWIFOMYPORDC-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H](C)C1 ZINC000336630037 355127628 /nfs/dbraw/zinc/12/76/28/355127628.db2.gz XZPWIFOMYPORDC-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP Cn1cc[nH+]c1CN(CCO)C1CC[NH+](C)CC1 ZINC000336703854 355142102 /nfs/dbraw/zinc/14/21/02/355142102.db2.gz INTLJXIKXIKNOH-UHFFFAOYSA-N 2 2 252.362 0.309 20 0 CCADLP C[C@@H](O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000336706769 355143601 /nfs/dbraw/zinc/14/36/01/355143601.db2.gz WYBZLQCPZSRCAI-ZIAGYGMSSA-N 2 2 256.390 0.802 20 0 CCADLP C[C@@H](O)CC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000336706769 355143602 /nfs/dbraw/zinc/14/36/02/355143602.db2.gz WYBZLQCPZSRCAI-ZIAGYGMSSA-N 2 2 256.390 0.802 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCn2cncn2)CC1 ZINC000336841266 355211771 /nfs/dbraw/zinc/21/17/71/355211771.db2.gz ZOJSYDBJVUNXOQ-HNNXBMFYSA-N 2 2 292.431 0.380 20 0 CCADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCn2cncn2)CC1 ZINC000336841266 355211775 /nfs/dbraw/zinc/21/17/75/355211775.db2.gz ZOJSYDBJVUNXOQ-HNNXBMFYSA-N 2 2 292.431 0.380 20 0 CCADLP c1c[nH+]c(CN2CC[NH+](C[C@H]3CCCOC3)CC2)[nH]1 ZINC000336800173 355173934 /nfs/dbraw/zinc/17/39/34/355173934.db2.gz LFSJKKNWJNVMOV-CYBMUJFWSA-N 2 2 264.373 0.954 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CCOCC2CC2)CC1 ZINC000336803668 355179756 /nfs/dbraw/zinc/17/97/56/355179756.db2.gz ZGAMWTYPGVYQPO-UHFFFAOYSA-N 2 2 264.373 0.969 20 0 CCADLP COC(=O)[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336819353 355193065 /nfs/dbraw/zinc/19/30/65/355193065.db2.gz ZJXQLJOPJMPWER-DGCLKSJQSA-N 2 2 270.373 0.327 20 0 CCADLP COC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336819353 355193066 /nfs/dbraw/zinc/19/30/66/355193066.db2.gz ZJXQLJOPJMPWER-DGCLKSJQSA-N 2 2 270.373 0.327 20 0 CCADLP COC(=O)[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000336819353 355193067 /nfs/dbraw/zinc/19/30/67/355193067.db2.gz ZJXQLJOPJMPWER-DGCLKSJQSA-N 2 2 270.373 0.327 20 0 CCADLP COC(=O)[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336819353 355193068 /nfs/dbraw/zinc/19/30/68/355193068.db2.gz ZJXQLJOPJMPWER-DGCLKSJQSA-N 2 2 270.373 0.327 20 0 CCADLP Cc1ccc(CNC(=O)C[N@H+](C)C[C@@H](O)C[NH3+])cc1F ZINC000336829293 355203747 /nfs/dbraw/zinc/20/37/47/355203747.db2.gz CGDOBNWJEHDCCF-LBPRGKRZSA-N 2 2 283.347 0.002 20 0 CCADLP Cc1ccc(CNC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])cc1F ZINC000336829293 355203751 /nfs/dbraw/zinc/20/37/51/355203751.db2.gz CGDOBNWJEHDCCF-LBPRGKRZSA-N 2 2 283.347 0.002 20 0 CCADLP CN(C(=O)C(C)(C)[NH+]1CCOCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000338172381 355310204 /nfs/dbraw/zinc/31/02/04/355310204.db2.gz ADPAVSNTFBZYCS-CQSZACIVSA-N 2 2 295.427 0.792 20 0 CCADLP CN(C(=O)C(C)(C)[NH+]1CCOCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000338172381 355310207 /nfs/dbraw/zinc/31/02/07/355310207.db2.gz ADPAVSNTFBZYCS-CQSZACIVSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccon1 ZINC000338291904 355312517 /nfs/dbraw/zinc/31/25/17/355312517.db2.gz OCDPEPKVDOBMGY-NSHDSACASA-N 2 2 266.345 0.489 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337222787 355286213 /nfs/dbraw/zinc/28/62/13/355286213.db2.gz FUMBWMGKEZYJNJ-NSHDSACASA-N 2 2 270.377 0.248 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337222787 355286216 /nfs/dbraw/zinc/28/62/16/355286216.db2.gz FUMBWMGKEZYJNJ-NSHDSACASA-N 2 2 270.377 0.248 20 0 CCADLP C(C[NH+]1CCOCC12CC2)OCC[N@@H+]1CCOCC12CC2 ZINC000338589489 355373203 /nfs/dbraw/zinc/37/32/03/355373203.db2.gz AHXXDUKYABLWLW-UHFFFAOYSA-N 2 2 296.411 0.733 20 0 CCADLP C(C[NH+]1CCOCC12CC2)OCC[N@H+]1CCOCC12CC2 ZINC000338589489 355373206 /nfs/dbraw/zinc/37/32/06/355373206.db2.gz AHXXDUKYABLWLW-UHFFFAOYSA-N 2 2 296.411 0.733 20 0 CCADLP C[C@@H](CC[NH+]1CCOCC1)NC(=O)CCc1c[nH+]cn1C ZINC000339165034 355498129 /nfs/dbraw/zinc/49/81/29/355498129.db2.gz PFVFLCQACBQWGM-ZDUSSCGKSA-N 2 2 294.399 0.580 20 0 CCADLP Cc1ccc(CCC[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c[nH+]1 ZINC000339409799 355502901 /nfs/dbraw/zinc/50/29/01/355502901.db2.gz MHMFLUPWEVZHRU-UHFFFAOYSA-N 3 2 290.411 0.686 20 0 CCADLP Cc1ccc(CCC[N@H+](C)CC(=O)N2CC[NH2+]CC2)c[nH+]1 ZINC000339409799 355502904 /nfs/dbraw/zinc/50/29/04/355502904.db2.gz MHMFLUPWEVZHRU-UHFFFAOYSA-N 3 2 290.411 0.686 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+]([C@@H]2COC[C@@H]2O)CC1 ZINC000340286080 355548973 /nfs/dbraw/zinc/54/89/73/355548973.db2.gz LNXWIZLFECGPQU-QXSJWSMHSA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+]([C@@H]2COC[C@@H]2O)CC1 ZINC000340286080 355548975 /nfs/dbraw/zinc/54/89/75/355548975.db2.gz LNXWIZLFECGPQU-QXSJWSMHSA-N 2 2 297.443 0.237 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)[C@]1(C)CCCO1 ZINC000340479269 355559305 /nfs/dbraw/zinc/55/93/05/355559305.db2.gz PMGCJFFXQLXZCO-GUTXKFCHSA-N 2 2 283.416 0.873 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)[C@]1(C)CCCO1 ZINC000340479269 355559310 /nfs/dbraw/zinc/55/93/10/355559310.db2.gz PMGCJFFXQLXZCO-GUTXKFCHSA-N 2 2 283.416 0.873 20 0 CCADLP Cc1cnc(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)n1C ZINC000341037212 355591923 /nfs/dbraw/zinc/59/19/23/355591923.db2.gz AOUPVPDHCHVRLS-GFCCVEGCSA-N 2 2 265.405 0.454 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC000341284372 355645743 /nfs/dbraw/zinc/64/57/43/355645743.db2.gz JFHDSAYWBLMXOL-FQUUOJAGSA-N 2 2 283.416 0.552 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CC[C@@H](C(=O)N(C)C)O2)C1 ZINC000341284372 355645746 /nfs/dbraw/zinc/64/57/46/355645746.db2.gz JFHDSAYWBLMXOL-FQUUOJAGSA-N 2 2 283.416 0.552 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1)C[NH+](C)C ZINC000341306923 355649999 /nfs/dbraw/zinc/64/99/99/355649999.db2.gz WLPZEIKBSCOSOO-DZGCQCFKSA-N 2 2 297.443 0.801 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1)C[NH+](C)C ZINC000341306923 355650001 /nfs/dbraw/zinc/65/00/01/355650001.db2.gz WLPZEIKBSCOSOO-DZGCQCFKSA-N 2 2 297.443 0.801 20 0 CCADLP Cc1[nH+]ccn1CCN1CC[N@H+](CCO)[C@H](C)C1 ZINC000426461248 235337353 /nfs/dbraw/zinc/33/73/53/235337353.db2.gz RODLIJZOXWFLHM-GFCCVEGCSA-N 2 2 252.362 0.190 20 0 CCADLP Cc1[nH+]ccn1CCN1CC[N@@H+](CCO)[C@H](C)C1 ZINC000426461248 235337356 /nfs/dbraw/zinc/33/73/56/235337356.db2.gz RODLIJZOXWFLHM-GFCCVEGCSA-N 2 2 252.362 0.190 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCN(CCO)[C@H](C)C1 ZINC000426461248 235337359 /nfs/dbraw/zinc/33/73/59/235337359.db2.gz RODLIJZOXWFLHM-GFCCVEGCSA-N 2 2 252.362 0.190 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCN(CCO)[C@H](C)C1 ZINC000426461248 235337361 /nfs/dbraw/zinc/33/73/61/235337361.db2.gz RODLIJZOXWFLHM-GFCCVEGCSA-N 2 2 252.362 0.190 20 0 CCADLP O=C(C[C@H]1CCC[NH2+]CC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000427275073 235358618 /nfs/dbraw/zinc/35/86/18/235358618.db2.gz OMUMMQJEGVMIJG-LSDHHAIUSA-N 2 2 295.427 0.699 20 0 CCADLP Cc1c[nH+]c(CN2CC[NH+](C[C@H]3CCOC3)CC2)n1C ZINC000342806032 355751099 /nfs/dbraw/zinc/75/10/99/355751099.db2.gz IFTBYKMUSAAUPN-CQSZACIVSA-N 2 2 278.400 0.883 20 0 CCADLP CCOC[C@@H](O)C[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000342821805 355752850 /nfs/dbraw/zinc/75/28/50/355752850.db2.gz ORKSAXDIWAOXPI-AWEZNQCLSA-N 2 2 279.384 0.909 20 0 CCADLP COC(=O)c1cn(CC[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)nn1 ZINC000342830514 355754894 /nfs/dbraw/zinc/75/48/94/355754894.db2.gz VTWAYTWPQMUJTN-JQWIXIFHSA-N 2 2 293.371 0.137 20 0 CCADLP COC(=O)c1cn(CC[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)nn1 ZINC000342830514 355754895 /nfs/dbraw/zinc/75/48/95/355754895.db2.gz VTWAYTWPQMUJTN-JQWIXIFHSA-N 2 2 293.371 0.137 20 0 CCADLP C[C@@H](C(=O)NCC[NH+]1CCC1)[NH+]1CCSCC1 ZINC000344714568 355792223 /nfs/dbraw/zinc/79/22/23/355792223.db2.gz FLTXWMUMNAMAAV-NSHDSACASA-N 2 2 257.403 0.246 20 0 CCADLP CC[C@@H](C(=O)NCC[N@@H+]1CCOC[C@H]1C)[NH+](CC)CC ZINC000345407129 355818999 /nfs/dbraw/zinc/81/89/99/355818999.db2.gz DJFSWMREENQWPZ-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP CC[C@@H](C(=O)NCC[N@H+]1CCOC[C@H]1C)[NH+](CC)CC ZINC000345407129 355819001 /nfs/dbraw/zinc/81/90/01/355819001.db2.gz DJFSWMREENQWPZ-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP C[C@@H](O)C[N@H+](C)C1CC[NH+](CCc2cnn(C)c2)CC1 ZINC000348278160 355901847 /nfs/dbraw/zinc/90/18/47/355901847.db2.gz UZOIPEHSOKOMLM-CYBMUJFWSA-N 2 2 280.416 0.740 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+](CCc2cnn(C)c2)CC1 ZINC000348278160 355901852 /nfs/dbraw/zinc/90/18/52/355901852.db2.gz UZOIPEHSOKOMLM-CYBMUJFWSA-N 2 2 280.416 0.740 20 0 CCADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000348402366 355925907 /nfs/dbraw/zinc/92/59/07/355925907.db2.gz BPXQHKAEXYVUIN-CYBMUJFWSA-N 2 2 283.397 0.685 20 0 CCADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000348402366 355925909 /nfs/dbraw/zinc/92/59/09/355925909.db2.gz BPXQHKAEXYVUIN-CYBMUJFWSA-N 2 2 283.397 0.685 20 0 CCADLP c1[nH+]c2ccccn2c1C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000348776666 355978897 /nfs/dbraw/zinc/97/88/97/355978897.db2.gz RHZDSUOAIGRRFZ-CQSZACIVSA-N 2 2 272.352 0.851 20 0 CCADLP c1[nH+]c2ccccn2c1C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000348776666 355978898 /nfs/dbraw/zinc/97/88/98/355978898.db2.gz RHZDSUOAIGRRFZ-CQSZACIVSA-N 2 2 272.352 0.851 20 0 CCADLP C[C@@H]1C[C@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CO1 ZINC000352988573 356128606 /nfs/dbraw/zinc/12/86/06/356128606.db2.gz LQHCCSFOFNYKQZ-OLZOCXBDSA-N 2 2 283.416 0.554 20 0 CCADLP O=S1(=O)CC[C@@H]2C[N@H+](CCCn3cc[nH+]c3)C[C@H]21 ZINC000352977001 356124451 /nfs/dbraw/zinc/12/44/51/356124451.db2.gz MZHZZDNQHVCASR-VXGBXAGGSA-N 2 2 269.370 0.392 20 0 CCADLP O=S1(=O)CC[C@@H]2C[N@@H+](CCCn3cc[nH+]c3)C[C@H]21 ZINC000352977001 356124454 /nfs/dbraw/zinc/12/44/54/356124454.db2.gz MZHZZDNQHVCASR-VXGBXAGGSA-N 2 2 269.370 0.392 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N(C)CC[NH+](C)C1CC1 ZINC000353100188 356156266 /nfs/dbraw/zinc/15/62/66/356156266.db2.gz ZQKSLVGLALGDGQ-CYBMUJFWSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N(C)CC[NH+](C)C1CC1 ZINC000353100188 356156270 /nfs/dbraw/zinc/15/62/70/356156270.db2.gz ZQKSLVGLALGDGQ-CYBMUJFWSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000353100188 356156273 /nfs/dbraw/zinc/15/62/73/356156273.db2.gz ZQKSLVGLALGDGQ-CYBMUJFWSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000353100188 356156276 /nfs/dbraw/zinc/15/62/76/356156276.db2.gz ZQKSLVGLALGDGQ-CYBMUJFWSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@H](Cn1cncn1)[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000353275453 356193131 /nfs/dbraw/zinc/19/31/31/356193131.db2.gz JUPHPGOLGIUMNX-UONOGXRCSA-N 2 2 281.404 0.757 20 0 CCADLP CCCC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000353576618 356253017 /nfs/dbraw/zinc/25/30/17/356253017.db2.gz ILJKONJUAGADAT-AWEZNQCLSA-N 2 2 293.415 0.582 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000353631641 356262121 /nfs/dbraw/zinc/26/21/21/356262121.db2.gz FAXVLWAXXZXLTF-CQSZACIVSA-N 2 2 269.389 0.167 20 0 CCADLP CCCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000353652434 356265502 /nfs/dbraw/zinc/26/55/02/356265502.db2.gz YXIRFRPPRRULKH-AVGNSLFASA-N 2 2 271.405 0.729 20 0 CCADLP CC(C)C[C@@H]([NH3+])C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000353649122 356265508 /nfs/dbraw/zinc/26/55/08/356265508.db2.gz WAPKUJKLKDCCFG-CYBMUJFWSA-N 2 2 293.415 0.438 20 0 CCADLP COC[C@H](CO)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000353654739 356266721 /nfs/dbraw/zinc/26/67/21/356266721.db2.gz DLBHJJYGHKRRHF-HNNXBMFYSA-N 2 2 279.384 0.643 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@]2(C)CCC[NH2+]C2)C[C@@H]1[NH+]1CCOCC1 ZINC000353701432 356276070 /nfs/dbraw/zinc/27/60/70/356276070.db2.gz MLHDIQJHMGOGAU-YCPHGPKFSA-N 2 2 295.427 0.555 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000353963141 356323459 /nfs/dbraw/zinc/32/34/59/356323459.db2.gz WLEMANPWPHQSLU-CHWSQXEVSA-N 2 2 270.421 0.079 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H](O)C(F)F)CC1 ZINC000360956684 138017165 /nfs/dbraw/zinc/01/71/65/138017165.db2.gz VXZXJTSQUHPNFQ-NSHDSACASA-N 2 2 294.342 0.620 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccn(C)n2)CC1 ZINC000360965849 138017364 /nfs/dbraw/zinc/01/73/64/138017364.db2.gz JDSQOPBPMFECRR-UHFFFAOYSA-N 2 2 294.399 0.927 20 0 CCADLP CC[NH+](CC)CCCCNC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000353829962 356300995 /nfs/dbraw/zinc/30/09/95/356300995.db2.gz UEIKNPVDWYHVBJ-HNNXBMFYSA-N 2 2 298.475 0.861 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C)C[C@H]2C(C)C)C1 ZINC000353905727 356313362 /nfs/dbraw/zinc/31/33/62/356313362.db2.gz CBNNOMVPHGXLPL-KBPBESRZSA-N 2 2 283.416 0.506 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C)C[C@H]2C(C)C)C1 ZINC000353905727 356313366 /nfs/dbraw/zinc/31/33/66/356313366.db2.gz CBNNOMVPHGXLPL-KBPBESRZSA-N 2 2 283.416 0.506 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)C1 ZINC000353905727 356313370 /nfs/dbraw/zinc/31/33/70/356313370.db2.gz CBNNOMVPHGXLPL-KBPBESRZSA-N 2 2 283.416 0.506 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)C1 ZINC000353905727 356313373 /nfs/dbraw/zinc/31/33/73/356313373.db2.gz CBNNOMVPHGXLPL-KBPBESRZSA-N 2 2 283.416 0.506 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCN1CCC[NH+](C)CC1 ZINC000361173553 138023976 /nfs/dbraw/zinc/02/39/76/138023976.db2.gz JAMYWPPRADOYRK-GJZGRUSLSA-N 3 2 268.449 0.554 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCN1CCC[NH+](C)CC1 ZINC000361173553 138023977 /nfs/dbraw/zinc/02/39/77/138023977.db2.gz JAMYWPPRADOYRK-GJZGRUSLSA-N 3 2 268.449 0.554 20 0 CCADLP C[C@H]1C[NH+](C)C[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000361173553 138023978 /nfs/dbraw/zinc/02/39/78/138023978.db2.gz JAMYWPPRADOYRK-GJZGRUSLSA-N 3 2 268.449 0.554 20 0 CCADLP C[C@H]1C[NH+](C)C[C@@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000361173553 138023979 /nfs/dbraw/zinc/02/39/79/138023979.db2.gz JAMYWPPRADOYRK-GJZGRUSLSA-N 3 2 268.449 0.554 20 0 CCADLP CC[NH+]1CCC([NH2+][C@H]2CCN(C3CC3)C2=O)CC1 ZINC000361247347 138026184 /nfs/dbraw/zinc/02/61/84/138026184.db2.gz WQQUUHVMLREOLS-ZDUSSCGKSA-N 2 2 251.374 0.824 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NCCn2cc[nH+]c2)CC[N@@H+]1C ZINC000361857484 138036614 /nfs/dbraw/zinc/03/66/14/138036614.db2.gz AWDONYQFEKWSFI-VXGBXAGGSA-N 2 2 265.361 0.665 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NCCn2cc[nH+]c2)CC[N@H+]1C ZINC000361857484 138036615 /nfs/dbraw/zinc/03/66/15/138036615.db2.gz AWDONYQFEKWSFI-VXGBXAGGSA-N 2 2 265.361 0.665 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC3(C2)CCOCC3)CC1 ZINC000361998806 138041685 /nfs/dbraw/zinc/04/16/85/138041685.db2.gz UOMJACCBWOMUSN-UHFFFAOYSA-N 2 2 281.400 0.263 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC3(C2)CCOCC3)CC1 ZINC000361998806 138041686 /nfs/dbraw/zinc/04/16/86/138041686.db2.gz UOMJACCBWOMUSN-UHFFFAOYSA-N 2 2 281.400 0.263 20 0 CCADLP Cc1nc(N(C)C)nc(NCCC2CC[NH+](C)CC2)[nH+]1 ZINC000532269696 358502481 /nfs/dbraw/zinc/50/24/81/358502481.db2.gz PYWKANPRCGFHCM-UHFFFAOYSA-N 2 2 278.404 0.812 20 0 CCADLP Cc1nc(NCCC2CC[NH+](C)CC2)nc(N(C)C)[nH+]1 ZINC000532269696 358502484 /nfs/dbraw/zinc/50/24/84/358502484.db2.gz PYWKANPRCGFHCM-UHFFFAOYSA-N 2 2 278.404 0.812 20 0 CCADLP COCCCC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362839021 138076592 /nfs/dbraw/zinc/07/65/92/138076592.db2.gz PPKRYFKHQARGBE-ZDUSSCGKSA-N 2 2 269.389 0.309 20 0 CCADLP COCCCC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362839021 138076593 /nfs/dbraw/zinc/07/65/93/138076593.db2.gz PPKRYFKHQARGBE-ZDUSSCGKSA-N 2 2 269.389 0.309 20 0 CCADLP COC(=O)COC[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449399344 291097699 /nfs/dbraw/zinc/09/76/99/291097699.db2.gz ZYWQTMHVTWRJAO-QWHCGFSZSA-N 2 2 288.388 0.001 20 0 CCADLP COC(=O)COC[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449399344 291097700 /nfs/dbraw/zinc/09/77/00/291097700.db2.gz ZYWQTMHVTWRJAO-QWHCGFSZSA-N 2 2 288.388 0.001 20 0 CCADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)N3CCNC(=O)C3)C2)C1 ZINC000328764904 202044602 /nfs/dbraw/zinc/04/46/02/202044602.db2.gz GQKSUXRMADHNQH-OAHLLOKOSA-N 2 2 294.399 0.203 20 0 CCADLP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)N3CCNC(=O)C3)C2)C1 ZINC000328764904 202044605 /nfs/dbraw/zinc/04/46/05/202044605.db2.gz GQKSUXRMADHNQH-OAHLLOKOSA-N 2 2 294.399 0.203 20 0 CCADLP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)N3CCNC(=O)C3)C2)C1 ZINC000328764904 202044608 /nfs/dbraw/zinc/04/46/08/202044608.db2.gz GQKSUXRMADHNQH-OAHLLOKOSA-N 2 2 294.399 0.203 20 0 CCADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)N3CCNC(=O)C3)C2)C1 ZINC000328764904 202044612 /nfs/dbraw/zinc/04/46/12/202044612.db2.gz GQKSUXRMADHNQH-OAHLLOKOSA-N 2 2 294.399 0.203 20 0 CCADLP CCC[C@H]([NH2+]C(C)C)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000355096489 356576565 /nfs/dbraw/zinc/57/65/65/356576565.db2.gz OLICVNJWQLRHCW-ZDUSSCGKSA-N 2 2 298.431 0.091 20 0 CCADLP CCC[C@H]([NH2+]C(C)C)C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000355096489 356576570 /nfs/dbraw/zinc/57/65/70/356576570.db2.gz OLICVNJWQLRHCW-ZDUSSCGKSA-N 2 2 298.431 0.091 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000328863773 202087127 /nfs/dbraw/zinc/08/71/27/202087127.db2.gz VXKQVXIVDRNZGX-UHFFFAOYSA-N 2 2 294.399 0.268 20 0 CCADLP CN(C)c1nc(N2CC[NH+](C3CCOCC3)CC2)cc[nH+]1 ZINC000355923262 356670507 /nfs/dbraw/zinc/67/05/07/356670507.db2.gz JYSGLBTXPYZAAA-UHFFFAOYSA-N 2 2 291.399 0.844 20 0 CCADLP C[C@@H](CNC(=O)N(C)CC[NH+]1CCOCC1)[N@H+](C)C1CC1 ZINC000356333482 356748139 /nfs/dbraw/zinc/74/81/39/356748139.db2.gz LBLXFFXBJLMJSJ-ZDUSSCGKSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H](CNC(=O)N(C)CC[NH+]1CCOCC1)[N@@H+](C)C1CC1 ZINC000356333482 356748140 /nfs/dbraw/zinc/74/81/40/356748140.db2.gz LBLXFFXBJLMJSJ-ZDUSSCGKSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000359268181 356789138 /nfs/dbraw/zinc/78/91/38/356789138.db2.gz UNOLGYNFVWQXEP-YGRLFVJLSA-N 2 2 292.383 0.949 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000359268181 356789145 /nfs/dbraw/zinc/78/91/45/356789145.db2.gz UNOLGYNFVWQXEP-YGRLFVJLSA-N 2 2 292.383 0.949 20 0 CCADLP CC(C)CCOCCNC(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359274880 356791484 /nfs/dbraw/zinc/79/14/84/356791484.db2.gz KSOTXJVKLYRTDB-ZIAGYGMSSA-N 2 2 283.416 0.317 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000359277158 356792282 /nfs/dbraw/zinc/79/22/82/356792282.db2.gz NHXCENNFUXTASK-KBPBESRZSA-N 3 2 294.443 0.127 20 0 CCADLP Cc1cccc(CNC(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000359282633 356793237 /nfs/dbraw/zinc/79/32/37/356793237.db2.gz SRXSVTQVJZYOGN-GASCZTMLSA-N 2 2 273.380 0.762 20 0 CCADLP Cc1cccc(CNC(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000359282633 356793239 /nfs/dbraw/zinc/79/32/39/356793239.db2.gz SRXSVTQVJZYOGN-GASCZTMLSA-N 2 2 273.380 0.762 20 0 CCADLP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359292963 356796365 /nfs/dbraw/zinc/79/63/65/356796365.db2.gz AMNJQPCUQMRJMS-BFHYXJOUSA-N 2 2 265.401 0.785 20 0 CCADLP C[NH+](C)CCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655683931 412645242 /nfs/dbraw/zinc/64/52/42/412645242.db2.gz JBAOQTYTAUTOTB-AWEZNQCLSA-N 3 2 255.406 0.781 20 0 CCADLP C[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@H]1C)Cn1cc[nH+]c1 ZINC000362818220 357057109 /nfs/dbraw/zinc/05/71/09/357057109.db2.gz SJQVWMALORFUJR-UPJWGTAASA-N 2 2 264.373 0.833 20 0 CCADLP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)Cn1cc[nH+]c1 ZINC000362818220 357057111 /nfs/dbraw/zinc/05/71/11/357057111.db2.gz SJQVWMALORFUJR-UPJWGTAASA-N 2 2 264.373 0.833 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000367845843 357284653 /nfs/dbraw/zinc/28/46/53/357284653.db2.gz JKQHDFVRVWDOJZ-DZGCQCFKSA-N 2 2 283.416 0.555 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000367845843 357284655 /nfs/dbraw/zinc/28/46/55/357284655.db2.gz JKQHDFVRVWDOJZ-DZGCQCFKSA-N 2 2 283.416 0.555 20 0 CCADLP COCCCNC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000367845843 357284659 /nfs/dbraw/zinc/28/46/59/357284659.db2.gz JKQHDFVRVWDOJZ-DZGCQCFKSA-N 2 2 283.416 0.555 20 0 CCADLP COCCCNC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000367845843 357284663 /nfs/dbraw/zinc/28/46/63/357284663.db2.gz JKQHDFVRVWDOJZ-DZGCQCFKSA-N 2 2 283.416 0.555 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cc3n(n2)CCCC3)CC1 ZINC000655719130 412652379 /nfs/dbraw/zinc/65/23/79/412652379.db2.gz QXGUJCOJODUQDQ-UHFFFAOYSA-N 2 2 291.399 0.083 20 0 CCADLP CC(C)N1C[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1=O ZINC000655729608 412652963 /nfs/dbraw/zinc/65/29/63/412652963.db2.gz LRWPXFKOTHSTFM-LSDHHAIUSA-N 2 2 295.427 0.839 20 0 CCADLP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)NC(=O)NC1CC1 ZINC000610583330 363582354 /nfs/dbraw/zinc/58/23/54/363582354.db2.gz AAJREVSJYNGPKH-UHFFFAOYSA-N 2 2 291.355 0.577 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CCCC[NH2+]3)C2)CC1 ZINC000377197791 357551279 /nfs/dbraw/zinc/55/12/79/357551279.db2.gz NEBZXVDCNOIJHZ-UKRRQHHQSA-N 3 2 294.443 0.413 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CCCC[NH2+]3)C2)CC1 ZINC000377197791 357551280 /nfs/dbraw/zinc/55/12/80/357551280.db2.gz NEBZXVDCNOIJHZ-UKRRQHHQSA-N 3 2 294.443 0.413 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC(F)F)C2)CC1 ZINC000377915249 357630692 /nfs/dbraw/zinc/63/06/92/357630692.db2.gz QONYNZAQPYBALX-JTQLQIEISA-N 2 2 290.358 0.719 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC(F)F)C2)CC1 ZINC000377915249 357630695 /nfs/dbraw/zinc/63/06/95/357630695.db2.gz QONYNZAQPYBALX-JTQLQIEISA-N 2 2 290.358 0.719 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@](C)(COC)C1 ZINC000381480383 357709795 /nfs/dbraw/zinc/70/97/95/357709795.db2.gz NNXPMHWXJHANCZ-ZIAGYGMSSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@](C)(COC)C1 ZINC000381480383 357709801 /nfs/dbraw/zinc/70/98/01/357709801.db2.gz NNXPMHWXJHANCZ-ZIAGYGMSSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@](C)(COC)C1 ZINC000381480383 357709808 /nfs/dbraw/zinc/70/98/08/357709808.db2.gz NNXPMHWXJHANCZ-ZIAGYGMSSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@](C)(COC)C1 ZINC000381480383 357709811 /nfs/dbraw/zinc/70/98/11/357709811.db2.gz NNXPMHWXJHANCZ-ZIAGYGMSSA-N 2 2 274.405 0.284 20 0 CCADLP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)[C@@H](C)O ZINC000655772297 412658874 /nfs/dbraw/zinc/65/88/74/412658874.db2.gz MNBPPNBVORJHMB-XBFCOCLRSA-N 2 2 256.390 0.989 20 0 CCADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449656018 236043810 /nfs/dbraw/zinc/04/38/10/236043810.db2.gz ITDUFPTXQNFAJP-OUAUKWLOSA-N 2 2 275.343 0.736 20 0 CCADLP CS(=O)(=O)N1CC[C@H]([NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000400275128 357792775 /nfs/dbraw/zinc/79/27/75/357792775.db2.gz YNNJKHMFQNJAGG-GDLCADMTSA-N 2 2 295.408 0.755 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C)(CO)CC1 ZINC000401749187 357804443 /nfs/dbraw/zinc/80/44/43/357804443.db2.gz WUDFVERQSJYVGG-CYBMUJFWSA-N 2 2 274.405 0.020 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C)(CO)CC1 ZINC000401749187 357804445 /nfs/dbraw/zinc/80/44/45/357804445.db2.gz WUDFVERQSJYVGG-CYBMUJFWSA-N 2 2 274.405 0.020 20 0 CCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC1CC[NH+](C)CC1 ZINC000408097630 357918833 /nfs/dbraw/zinc/91/88/33/357918833.db2.gz PNGOTCTZUCHMGB-ZDUSSCGKSA-N 2 2 297.447 0.016 20 0 CCADLP CNC(=O)CC[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000343921921 283305677 /nfs/dbraw/zinc/30/56/77/283305677.db2.gz IVPSJZDYJZZIIM-KBPBESRZSA-N 2 2 282.432 0.080 20 0 CCADLP CNC(=O)CC[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000343921921 283305679 /nfs/dbraw/zinc/30/56/79/283305679.db2.gz IVPSJZDYJZZIIM-KBPBESRZSA-N 2 2 282.432 0.080 20 0 CCADLP Cc1nc(N2CC[NH+](CC3(O)CCC3)CC2)cc[nH+]1 ZINC000408216621 357976390 /nfs/dbraw/zinc/97/63/90/357976390.db2.gz VLBRGLPJAIKKQJ-UHFFFAOYSA-N 2 2 262.357 0.822 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@H](CO)C[NH+]1CCCCC1 ZINC000294594544 199099943 /nfs/dbraw/zinc/09/99/43/199099943.db2.gz ZMLSEEVDZRAXDZ-ZDUSSCGKSA-N 2 2 280.372 0.236 20 0 CCADLP Cc1ccccc1[C@H]([NH3+])C(=O)NCCC[NH+]1CCOCC1 ZINC000294640465 199118735 /nfs/dbraw/zinc/11/87/35/199118735.db2.gz BCVZYSJXMFNSEL-HNNXBMFYSA-N 2 2 291.395 0.833 20 0 CCADLP O=C1C[N@@H+](CC2CC[NH2+]CC2)CCN1CC(F)(F)F ZINC000455648524 236348700 /nfs/dbraw/zinc/34/87/00/236348700.db2.gz CCCVAGKOZXAKLY-UHFFFAOYSA-N 2 2 279.306 0.693 20 0 CCADLP O=C1C[N@H+](CC2CC[NH2+]CC2)CCN1CC(F)(F)F ZINC000455648524 236348702 /nfs/dbraw/zinc/34/87/02/236348702.db2.gz CCCVAGKOZXAKLY-UHFFFAOYSA-N 2 2 279.306 0.693 20 0 CCADLP C[NH2+]CCCNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000417500510 358134454 /nfs/dbraw/zinc/13/44/54/358134454.db2.gz HOCMEXRMMXWHPJ-UHFFFAOYSA-N 2 2 272.393 0.006 20 0 CCADLP C[NH2+]CCCNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000417500510 358134457 /nfs/dbraw/zinc/13/44/57/358134457.db2.gz HOCMEXRMMXWHPJ-UHFFFAOYSA-N 2 2 272.393 0.006 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000418380410 358155493 /nfs/dbraw/zinc/15/54/93/358155493.db2.gz HKQHWFNSRBEAPC-MELADBBJSA-N 2 2 298.431 0.347 20 0 CCADLP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420358791 358179937 /nfs/dbraw/zinc/17/99/37/358179937.db2.gz UYPBEDQGCAODRW-QNWHQSFQSA-N 2 2 271.405 0.131 20 0 CCADLP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420358791 358179943 /nfs/dbraw/zinc/17/99/43/358179943.db2.gz UYPBEDQGCAODRW-QNWHQSFQSA-N 2 2 271.405 0.131 20 0 CCADLP CC[C@H](C)NC(=O)CC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422699291 358191703 /nfs/dbraw/zinc/19/17/03/358191703.db2.gz CXKAPYDVXDHMRU-NJZAAPMLSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)C[NH+]1CCOCC1 ZINC000422765846 358193236 /nfs/dbraw/zinc/19/32/36/358193236.db2.gz PLFILDQYYJKIAL-QLFBSQMISA-N 3 2 269.433 0.932 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC1CC[NH+](C)CC1 ZINC000433995212 358233433 /nfs/dbraw/zinc/23/34/33/358233433.db2.gz SQCOENFALFDQIN-CYBMUJFWSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2CCO)CCO1 ZINC000449394974 358251930 /nfs/dbraw/zinc/25/19/30/358251930.db2.gz OVNAFAPBRWLDLC-MGPQQGTHSA-N 2 2 256.390 0.990 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@H+]2CCO)CCO1 ZINC000449394974 358251934 /nfs/dbraw/zinc/25/19/34/358251934.db2.gz OVNAFAPBRWLDLC-MGPQQGTHSA-N 2 2 256.390 0.990 20 0 CCADLP CS(=O)(=O)c1cc(C[NH2+]CC2([NH3+])CCC2)co1 ZINC000530219187 358380740 /nfs/dbraw/zinc/38/07/40/358380740.db2.gz KSPXEXXRNWRGGU-UHFFFAOYSA-N 2 2 258.343 0.654 20 0 CCADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ncnn3C)C2)CC1 ZINC000531177326 358447187 /nfs/dbraw/zinc/44/71/87/358447187.db2.gz FEQLLFRYQMKQLZ-AWEZNQCLSA-N 2 2 292.431 0.415 20 0 CCADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ncnn3C)C2)CC1 ZINC000531177326 358447188 /nfs/dbraw/zinc/44/71/88/358447188.db2.gz FEQLLFRYQMKQLZ-AWEZNQCLSA-N 2 2 292.431 0.415 20 0 CCADLP CCOC(=O)CC[C@@H](O)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000567708771 358575014 /nfs/dbraw/zinc/57/50/14/358575014.db2.gz WFBZDVUBYMHZKP-WDEREUQCSA-N 2 2 281.356 0.561 20 0 CCADLP CCOC(=O)CC[C@@H](O)C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000567708771 358575021 /nfs/dbraw/zinc/57/50/21/358575021.db2.gz WFBZDVUBYMHZKP-WDEREUQCSA-N 2 2 281.356 0.561 20 0 CCADLP Cc1nc(NCC[C@H]2CCC[N@H+](C)C2)nc(N(C)C)[nH+]1 ZINC000567863060 358601634 /nfs/dbraw/zinc/60/16/34/358601634.db2.gz YCJOKFWPHOMZTR-GFCCVEGCSA-N 2 2 278.404 0.812 20 0 CCADLP Cc1nc(NCC[C@H]2CCC[N@@H+](C)C2)nc(N(C)C)[nH+]1 ZINC000567863060 358601637 /nfs/dbraw/zinc/60/16/37/358601637.db2.gz YCJOKFWPHOMZTR-GFCCVEGCSA-N 2 2 278.404 0.812 20 0 CCADLP Cc1nc(N(C)C)nc(NCC[C@H]2CCC[N@H+](C)C2)[nH+]1 ZINC000567863060 358601640 /nfs/dbraw/zinc/60/16/40/358601640.db2.gz YCJOKFWPHOMZTR-GFCCVEGCSA-N 2 2 278.404 0.812 20 0 CCADLP Cc1nc(N(C)C)nc(NCC[C@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000567863060 358601642 /nfs/dbraw/zinc/60/16/42/358601642.db2.gz YCJOKFWPHOMZTR-GFCCVEGCSA-N 2 2 278.404 0.812 20 0 CCADLP Cn1nccc1[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000567870635 358602157 /nfs/dbraw/zinc/60/21/57/358602157.db2.gz GEGDBHLNQHITMK-MISXGVKJSA-N 2 2 277.372 0.081 20 0 CCADLP COC(=O)CC[N@H+](C[C@@H]1CCCO1)CC(C)(C)[NH3+] ZINC000567872341 358603438 /nfs/dbraw/zinc/60/34/38/358603438.db2.gz QTXRPPXVGWVHCD-NSHDSACASA-N 2 2 258.362 0.768 20 0 CCADLP COC(=O)CC[N@@H+](C[C@@H]1CCCO1)CC(C)(C)[NH3+] ZINC000567872341 358603441 /nfs/dbraw/zinc/60/34/41/358603441.db2.gz QTXRPPXVGWVHCD-NSHDSACASA-N 2 2 258.362 0.768 20 0 CCADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](C[C@H]2COCCO2)CC1 ZINC000568175615 358640853 /nfs/dbraw/zinc/64/08/53/358640853.db2.gz BYKSSKKHIJUCNN-HIFRSBDPSA-N 2 2 284.400 0.587 20 0 CCADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CC2(C[NH3+])CC2)C1 ZINC000567826704 358595215 /nfs/dbraw/zinc/59/52/15/358595215.db2.gz MVOMQJFLQWHYCZ-GFCCVEGCSA-N 2 2 297.399 0.117 20 0 CCADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)CC2(C[NH3+])CC2)C1 ZINC000567826704 358595216 /nfs/dbraw/zinc/59/52/16/358595216.db2.gz MVOMQJFLQWHYCZ-GFCCVEGCSA-N 2 2 297.399 0.117 20 0 CCADLP C[C@H](O)CNc1cc(NC[C@H]2CCC[N@H+](C)C2)nc[nH+]1 ZINC000568217087 358650092 /nfs/dbraw/zinc/65/00/92/358650092.db2.gz WLNACHBFOOEOHH-NWDGAFQWSA-N 2 2 279.388 0.445 20 0 CCADLP C[C@H](O)CNc1cc(NC[C@H]2CCC[N@@H+](C)C2)nc[nH+]1 ZINC000568217087 358650097 /nfs/dbraw/zinc/65/00/97/358650097.db2.gz WLNACHBFOOEOHH-NWDGAFQWSA-N 2 2 279.388 0.445 20 0 CCADLP C[C@H](O)CNc1cc(NC[C@H]2CCC[N@H+](C)C2)[nH+]cn1 ZINC000568217087 358650104 /nfs/dbraw/zinc/65/01/04/358650104.db2.gz WLNACHBFOOEOHH-NWDGAFQWSA-N 2 2 279.388 0.445 20 0 CCADLP C[C@H](O)CNc1cc(NC[C@H]2CCC[N@@H+](C)C2)[nH+]cn1 ZINC000568217087 358650109 /nfs/dbraw/zinc/65/01/09/358650109.db2.gz WLNACHBFOOEOHH-NWDGAFQWSA-N 2 2 279.388 0.445 20 0 CCADLP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@H]([NH3+])c3cscn3)[C@H]2C1 ZINC000568500533 358677709 /nfs/dbraw/zinc/67/77/09/358677709.db2.gz MGLSJZQPSPWWMK-SDDRHHMPSA-N 2 2 296.396 0.074 20 0 CCADLP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@H]([NH3+])c3cscn3)[C@H]2C1 ZINC000568500533 358677712 /nfs/dbraw/zinc/67/77/12/358677712.db2.gz MGLSJZQPSPWWMK-SDDRHHMPSA-N 2 2 296.396 0.074 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC000568501671 358679070 /nfs/dbraw/zinc/67/90/70/358679070.db2.gz WMVCDZZPNJJPFX-BZUAXINKSA-N 3 2 298.475 0.057 20 0 CCADLP CCn1nc(C)c(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1C ZINC000568533621 358685289 /nfs/dbraw/zinc/68/52/89/358685289.db2.gz OGDVPXDXDWPXIK-TZMCWYRMSA-N 2 2 291.399 0.264 20 0 CCADLP CCn1nc(C)c(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1C ZINC000568533621 358685293 /nfs/dbraw/zinc/68/52/93/358685293.db2.gz OGDVPXDXDWPXIK-TZMCWYRMSA-N 2 2 291.399 0.264 20 0 CCADLP Cc1cc(C)cc(OCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000568626203 358689745 /nfs/dbraw/zinc/68/97/45/358689745.db2.gz CGXVGGOQVQZCKM-CQSZACIVSA-N 2 2 291.395 0.784 20 0 CCADLP Cc1cc(C)cc(OCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000568626203 358689750 /nfs/dbraw/zinc/68/97/50/358689750.db2.gz CGXVGGOQVQZCKM-CQSZACIVSA-N 2 2 291.395 0.784 20 0 CCADLP Cn1nnc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)n1 ZINC000568631038 358691555 /nfs/dbraw/zinc/69/15/55/358691555.db2.gz YNKPBZUNWOYAJH-NSHDSACASA-N 2 2 250.350 0.032 20 0 CCADLP CN(C)C(=O)c1ccc(C[N@H+](C)C2CC([NH3+])C2)[nH]1 ZINC000569456066 358765031 /nfs/dbraw/zinc/76/50/31/358765031.db2.gz GWVQEXUOLFCXBW-UHFFFAOYSA-N 2 2 250.346 0.638 20 0 CCADLP CN(C)C(=O)c1ccc(C[N@@H+](C)C2CC([NH3+])C2)[nH]1 ZINC000569456066 358765033 /nfs/dbraw/zinc/76/50/33/358765033.db2.gz GWVQEXUOLFCXBW-UHFFFAOYSA-N 2 2 250.346 0.638 20 0 CCADLP CC(C)NC(=O)CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000569468850 358766697 /nfs/dbraw/zinc/76/66/97/358766697.db2.gz JNSRRHCPEIDLPF-UHFFFAOYSA-N 2 2 265.361 0.446 20 0 CCADLP CC(C)OC[C@H](O)C[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000568857609 358710386 /nfs/dbraw/zinc/71/03/86/358710386.db2.gz IZOIRKYFWZJRIY-UONOGXRCSA-N 2 2 274.405 0.330 20 0 CCADLP CC[C@@](COC)([NH2+]CCCc1c[nH+]cn1C)C(=O)OC ZINC000568878204 358713738 /nfs/dbraw/zinc/71/37/38/358713738.db2.gz ATLZNXSYGKAGQQ-AWEZNQCLSA-N 2 2 283.372 0.911 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000569676680 358784223 /nfs/dbraw/zinc/78/42/23/358784223.db2.gz QAFDOZWYYSNEEX-QWHCGFSZSA-N 2 2 284.404 0.006 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000569676680 358784227 /nfs/dbraw/zinc/78/42/27/358784227.db2.gz QAFDOZWYYSNEEX-QWHCGFSZSA-N 2 2 284.404 0.006 20 0 CCADLP CCc1noc(C)c1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000570106228 358824823 /nfs/dbraw/zinc/82/48/23/358824823.db2.gz AIPJHOKBAXWMAB-CMPLNLGQSA-N 2 2 278.356 0.289 20 0 CCADLP CCc1noc(C)c1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000570106228 358824826 /nfs/dbraw/zinc/82/48/26/358824826.db2.gz AIPJHOKBAXWMAB-CMPLNLGQSA-N 2 2 278.356 0.289 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000569776882 358791658 /nfs/dbraw/zinc/79/16/58/358791658.db2.gz WHJULVWUTBZPAZ-LBPRGKRZSA-N 2 2 266.345 0.110 20 0 CCADLP COCC[N@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000569776882 358791660 /nfs/dbraw/zinc/79/16/60/358791660.db2.gz WHJULVWUTBZPAZ-LBPRGKRZSA-N 2 2 266.345 0.110 20 0 CCADLP NC(=O)c1cccc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000570504094 358862974 /nfs/dbraw/zinc/86/29/74/358862974.db2.gz WIBMWDLVECSAJD-UHFFFAOYSA-N 2 2 285.351 0.831 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000449116404 283398229 /nfs/dbraw/zinc/39/82/29/283398229.db2.gz LFMPYKBPFBQUDE-UPJWGTAASA-N 2 2 271.405 0.600 20 0 CCADLP Cc1[nH+]cc2n1C[C@H](C(=O)NCc1[nH]cc[nH+]1)CC2 ZINC000571113414 358913049 /nfs/dbraw/zinc/91/30/49/358913049.db2.gz KUQYNXRXQHVFCP-SNVBAGLBSA-N 2 2 259.313 0.793 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@H]2CCCCC[NH2+]2)CCO1 ZINC000570685553 358883807 /nfs/dbraw/zinc/88/38/07/358883807.db2.gz SGNHEQLIIVGBDU-QWHCGFSZSA-N 2 2 269.389 0.356 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]2CCCCC[NH2+]2)CCO1 ZINC000570685553 358883810 /nfs/dbraw/zinc/88/38/10/358883810.db2.gz SGNHEQLIIVGBDU-QWHCGFSZSA-N 2 2 269.389 0.356 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)n1C ZINC000570699476 358887315 /nfs/dbraw/zinc/88/73/15/358887315.db2.gz ZQKCWCRSXFKWFW-UHFFFAOYSA-N 3 2 279.432 0.844 20 0 CCADLP COc1ccsc1CN1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000570966903 358899630 /nfs/dbraw/zinc/89/96/30/358899630.db2.gz ZAPNNNWSFKOGMI-SNVBAGLBSA-N 2 2 255.387 0.831 20 0 CCADLP COc1ccsc1CN1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000570966903 358899632 /nfs/dbraw/zinc/89/96/32/358899632.db2.gz ZAPNNNWSFKOGMI-SNVBAGLBSA-N 2 2 255.387 0.831 20 0 CCADLP COc1nccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)n1 ZINC000573564416 358979069 /nfs/dbraw/zinc/97/90/69/358979069.db2.gz HTCNHMHZCDXHEW-MJBXVCDLSA-N 2 2 292.383 0.732 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](CO)c1ccccc1 ZINC000573502919 358974121 /nfs/dbraw/zinc/97/41/21/358974121.db2.gz IPAVMWLDPIKRAB-HUUCEWRRSA-N 2 2 266.385 0.964 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](CO)c1ccccc1 ZINC000573502919 358974123 /nfs/dbraw/zinc/97/41/23/358974123.db2.gz IPAVMWLDPIKRAB-HUUCEWRRSA-N 2 2 266.385 0.964 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](CO)c1ccccc1 ZINC000573502919 358974124 /nfs/dbraw/zinc/97/41/24/358974124.db2.gz IPAVMWLDPIKRAB-HUUCEWRRSA-N 2 2 266.385 0.964 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](CO)c1ccccc1 ZINC000573502919 358974126 /nfs/dbraw/zinc/97/41/26/358974126.db2.gz IPAVMWLDPIKRAB-HUUCEWRRSA-N 2 2 266.385 0.964 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000573754812 358996692 /nfs/dbraw/zinc/99/66/92/358996692.db2.gz FFCWUKVSETUNKA-KBPBESRZSA-N 2 2 283.416 0.507 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000573754812 358996696 /nfs/dbraw/zinc/99/66/96/358996696.db2.gz FFCWUKVSETUNKA-KBPBESRZSA-N 2 2 283.416 0.507 20 0 CCADLP Cc1cc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)ncn1 ZINC000579854521 359056854 /nfs/dbraw/zinc/05/68/54/359056854.db2.gz BURARCKIPOWVFE-UHFFFAOYSA-N 2 2 258.329 0.830 20 0 CCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000582290734 359129462 /nfs/dbraw/zinc/12/94/62/359129462.db2.gz ALDNIKQOFKTLHZ-CHWSQXEVSA-N 2 2 291.399 0.981 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000582426070 359147796 /nfs/dbraw/zinc/14/77/96/359147796.db2.gz YTRULAUGVRPXGB-MRXNPFEDSA-N 2 2 293.411 0.788 20 0 CCADLP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000582428007 359148124 /nfs/dbraw/zinc/14/81/24/359148124.db2.gz VSKPVMCSPXBBSM-RZFFKMDDSA-N 2 2 294.420 0.965 20 0 CCADLP Cc1[nH+]cc(C[NH2+]C[C@H](O)C2CCOCC2)n1C ZINC000582431743 359148933 /nfs/dbraw/zinc/14/89/33/359148933.db2.gz PXYJXNLQAUIZSR-ZDUSSCGKSA-N 2 2 253.346 0.606 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC2(CC2)C1 ZINC000584728869 359198056 /nfs/dbraw/zinc/19/80/56/359198056.db2.gz YXSYNZSZBGMBMW-ZDUSSCGKSA-N 2 2 256.390 0.802 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC2(CC2)C1 ZINC000584728869 359198059 /nfs/dbraw/zinc/19/80/59/359198059.db2.gz YXSYNZSZBGMBMW-ZDUSSCGKSA-N 2 2 256.390 0.802 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC2(CC2)C1 ZINC000584728869 359198066 /nfs/dbraw/zinc/19/80/66/359198066.db2.gz YXSYNZSZBGMBMW-ZDUSSCGKSA-N 2 2 256.390 0.802 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC2(CC2)C1 ZINC000584728869 359198068 /nfs/dbraw/zinc/19/80/68/359198068.db2.gz YXSYNZSZBGMBMW-ZDUSSCGKSA-N 2 2 256.390 0.802 20 0 CCADLP O=C(C[C@@H]1COCC[NH2+]1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000584836478 359213917 /nfs/dbraw/zinc/21/39/17/359213917.db2.gz MEYJYDSQQIYLGH-VXGBXAGGSA-N 2 2 278.356 0.842 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000586755588 359283554 /nfs/dbraw/zinc/28/35/54/359283554.db2.gz AECUTUCAVNGDEN-LLVKDONJSA-N 2 2 286.339 0.486 20 0 CCADLP C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000586755588 359283558 /nfs/dbraw/zinc/28/35/58/359283558.db2.gz AECUTUCAVNGDEN-LLVKDONJSA-N 2 2 286.339 0.486 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)CSC ZINC000562983676 291177576 /nfs/dbraw/zinc/17/75/76/291177576.db2.gz CZKIYBZRBMAIPF-VXGBXAGGSA-N 2 2 262.419 0.411 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)CSC ZINC000562983676 291177579 /nfs/dbraw/zinc/17/75/79/291177579.db2.gz CZKIYBZRBMAIPF-VXGBXAGGSA-N 2 2 262.419 0.411 20 0 CCADLP Cn1cc(C[NH+]2CCN(C(=O)/C=C\C[NH+](C)C)CC2)cn1 ZINC000491888618 237012787 /nfs/dbraw/zinc/01/27/87/237012787.db2.gz VFSCOAVFGPDSNS-PLNGDYQASA-N 2 2 291.399 0.182 20 0 CCADLP C[N@@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000590637691 359502672 /nfs/dbraw/zinc/50/26/72/359502672.db2.gz SFMAPLOCXSBATJ-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP C[N@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000590637691 359502679 /nfs/dbraw/zinc/50/26/79/359502679.db2.gz SFMAPLOCXSBATJ-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+]1CCC[C@H](NC(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000590637691 359502681 /nfs/dbraw/zinc/50/26/81/359502681.db2.gz SFMAPLOCXSBATJ-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+]1CCC[C@H](NC(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000590637691 359502685 /nfs/dbraw/zinc/50/26/85/359502685.db2.gz SFMAPLOCXSBATJ-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CC[C@H]2CCOC2)C[C@H](C)O1 ZINC000563013272 291181511 /nfs/dbraw/zinc/18/15/11/291181511.db2.gz HKHRTWCJWJTUPS-LJISPDSOSA-N 2 2 286.416 0.473 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CC[C@H]2CCOC2)C[C@H](C)O1 ZINC000563013272 291181513 /nfs/dbraw/zinc/18/15/13/291181513.db2.gz HKHRTWCJWJTUPS-LJISPDSOSA-N 2 2 286.416 0.473 20 0 CCADLP CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000591733977 359649916 /nfs/dbraw/zinc/64/99/16/359649916.db2.gz RTQWTMBBKIMDPH-NEPJUHHUSA-N 2 2 258.362 0.374 20 0 CCADLP CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000591733977 359649918 /nfs/dbraw/zinc/64/99/18/359649918.db2.gz RTQWTMBBKIMDPH-NEPJUHHUSA-N 2 2 258.362 0.374 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000563090211 291190812 /nfs/dbraw/zinc/19/08/12/291190812.db2.gz BYRVAOANRZAEOG-UHFFFAOYSA-N 2 2 293.415 0.415 20 0 CCADLP C[C@H](O)C[N@H+](C)C1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492773752 237290259 /nfs/dbraw/zinc/29/02/59/237290259.db2.gz VQOWACSSFHDNQG-PCAWENJQSA-N 2 2 292.383 0.727 20 0 CCADLP C[C@H](O)C[N@@H+](C)C1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492773752 237290264 /nfs/dbraw/zinc/29/02/64/237290264.db2.gz VQOWACSSFHDNQG-PCAWENJQSA-N 2 2 292.383 0.727 20 0 CCADLP O=C1CNC(=O)N1CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591866542 359667466 /nfs/dbraw/zinc/66/74/66/359667466.db2.gz BSACNBSYRYJJTM-NSHDSACASA-N 2 2 277.328 0.072 20 0 CCADLP O=C1CNC(=O)N1CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591866542 359667468 /nfs/dbraw/zinc/66/74/68/359667468.db2.gz BSACNBSYRYJJTM-NSHDSACASA-N 2 2 277.328 0.072 20 0 CCADLP C[C@@H](CNC(=O)C=Cc1c[nH]c[nH+]1)C[NH+]1CCOCC1 ZINC000492872928 237330124 /nfs/dbraw/zinc/33/01/24/237330124.db2.gz ZPEJTNDGGWPXMW-DLGQBQFBSA-N 2 2 278.356 0.507 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655915064 412691850 /nfs/dbraw/zinc/69/18/50/412691850.db2.gz KYSYGPICTXFOOZ-LURJTMIESA-N 2 2 265.239 0.109 20 0 CCADLP C[N@H+](CCC[NH3+])CC(=O)NC(=O)NCc1cccs1 ZINC000592473957 359849851 /nfs/dbraw/zinc/84/98/51/359849851.db2.gz WIIQOWJWZGPZLK-UHFFFAOYSA-N 2 2 284.385 0.355 20 0 CCADLP C[N@@H+](CCC[NH3+])CC(=O)NC(=O)NCc1cccs1 ZINC000592473957 359849853 /nfs/dbraw/zinc/84/98/53/359849853.db2.gz WIIQOWJWZGPZLK-UHFFFAOYSA-N 2 2 284.385 0.355 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471224 359850035 /nfs/dbraw/zinc/85/00/35/359850035.db2.gz MWHYUUDCDGSXNM-UHFFFAOYSA-N 2 2 296.415 0.685 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471224 359850040 /nfs/dbraw/zinc/85/00/40/359850040.db2.gz MWHYUUDCDGSXNM-UHFFFAOYSA-N 2 2 296.415 0.685 20 0 CCADLP CC[C@@H](C)[C@@H](NC(=O)C[NH+]1CCC(C)([NH3+])CC1)C(=O)OC ZINC000592484980 359853537 /nfs/dbraw/zinc/85/35/37/359853537.db2.gz LTKFZFDNTDQMGI-DGCLKSJQSA-N 2 2 299.415 0.504 20 0 CCADLP COC(=O)c1cc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cn1C ZINC000593901176 360199714 /nfs/dbraw/zinc/19/97/14/360199714.db2.gz AEVCMMDWNQDMCJ-SNVBAGLBSA-N 2 2 282.344 0.029 20 0 CCADLP CSCC1(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000593902629 360201435 /nfs/dbraw/zinc/20/14/35/360201435.db2.gz CTVFPNBXMNRHDR-NSHDSACASA-N 2 2 271.430 0.621 20 0 CCADLP CSCC1(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000593902629 360201440 /nfs/dbraw/zinc/20/14/40/360201440.db2.gz CTVFPNBXMNRHDR-NSHDSACASA-N 2 2 271.430 0.621 20 0 CCADLP COC(=O)c1ccc(C)c(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000593903184 360201550 /nfs/dbraw/zinc/20/15/50/360201550.db2.gz QZCAHSHQERFUAS-GFCCVEGCSA-N 2 2 293.367 0.999 20 0 CCADLP CC[C@@H]([NH2+]Cc1c[nH+]cn1C)C(=O)N1CCOCC1 ZINC000176804695 189009556 /nfs/dbraw/zinc/00/95/56/189009556.db2.gz HSEODEORRUMPRW-GFCCVEGCSA-N 2 2 266.345 0.147 20 0 CCADLP CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000593907502 360204483 /nfs/dbraw/zinc/20/44/83/360204483.db2.gz QVZIZRHPAOWXKL-NEPJUHHUSA-N 2 2 285.388 0.067 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000594015201 360234852 /nfs/dbraw/zinc/23/48/52/360234852.db2.gz WDVKGKBGZNGFQX-NVGCLXPQSA-N 2 2 253.371 0.558 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000594015201 360234854 /nfs/dbraw/zinc/23/48/54/360234854.db2.gz WDVKGKBGZNGFQX-NVGCLXPQSA-N 2 2 253.371 0.558 20 0 CCADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000611524357 363733136 /nfs/dbraw/zinc/73/31/36/363733136.db2.gz AZTNZCVDOFCDBU-GFCCVEGCSA-N 2 2 299.415 0.470 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000594943215 360422845 /nfs/dbraw/zinc/42/28/45/360422845.db2.gz AZOYLVGRZDZHAB-YUSALJHKSA-N 2 2 251.330 0.750 20 0 CCADLP COC(=O)[C@@H](C)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344035419 291230343 /nfs/dbraw/zinc/23/03/43/291230343.db2.gz SIUCEXCHKBJAOG-GFCCVEGCSA-N 2 2 259.394 0.363 20 0 CCADLP COC(=O)[C@@H](C)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344035419 291230348 /nfs/dbraw/zinc/23/03/48/291230348.db2.gz SIUCEXCHKBJAOG-GFCCVEGCSA-N 2 2 259.394 0.363 20 0 CCADLP COC[C@@]1(C(=O)OC)CCC[N@@H+]1CCn1cc[nH+]c1C ZINC000595804160 360658926 /nfs/dbraw/zinc/65/89/26/360658926.db2.gz CGQASIOYUSKLAN-CQSZACIVSA-N 2 2 281.356 0.846 20 0 CCADLP COC[C@@]1(C(=O)OC)CCC[N@H+]1CCn1cc[nH+]c1C ZINC000595804160 360658932 /nfs/dbraw/zinc/65/89/32/360658932.db2.gz CGQASIOYUSKLAN-CQSZACIVSA-N 2 2 281.356 0.846 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(O)Cc2ccccc2C1 ZINC000563528175 291234571 /nfs/dbraw/zinc/23/45/71/291234571.db2.gz ARJWLTAUWYRJCL-CJNGLKHVSA-N 2 2 290.407 0.873 20 0 CCADLP O=C(Cc1cn2ccccc2[nH+]1)NC[C@@H]1CCC[NH2+]1 ZINC000178717817 189140070 /nfs/dbraw/zinc/14/00/70/189140070.db2.gz PEBQKUKRDPKJAR-NSHDSACASA-N 2 2 258.325 0.745 20 0 CCADLP C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000178722484 189140511 /nfs/dbraw/zinc/14/05/11/189140511.db2.gz XACVDUFMQXYHBP-AWEZNQCLSA-N 2 2 276.340 0.377 20 0 CCADLP C[NH2+]C[C@@H](C)[NH2+]Cc1c(C)nn(CCC(=O)OC)c1C ZINC000596108736 360796664 /nfs/dbraw/zinc/79/66/64/360796664.db2.gz XBGSUHQPIDCELG-SNVBAGLBSA-N 2 2 282.388 0.761 20 0 CCADLP Cc1[nH+]cc(C[NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C)n1C ZINC000597086951 361006368 /nfs/dbraw/zinc/00/63/68/361006368.db2.gz PIJNXZRVKNPTIT-CQSZACIVSA-N 2 2 283.372 0.911 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NCC[NH+]2CCO[C@H](C)C2)C1 ZINC000563725811 291249206 /nfs/dbraw/zinc/24/92/06/291249206.db2.gz NOHVZVGMKBDHPM-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+]2CCO[C@H](C)C2)C1 ZINC000563725811 291249210 /nfs/dbraw/zinc/24/92/10/291249210.db2.gz NOHVZVGMKBDHPM-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP COC(=O)[C@@H]1CN(Cc2c[nH+]c(C)n2C)CC[N@H+](C)C1 ZINC000597151202 361016331 /nfs/dbraw/zinc/01/63/31/361016331.db2.gz JYNZKGKSICQQGP-LBPRGKRZSA-N 2 2 280.372 0.265 20 0 CCADLP COC(=O)[C@@H]1CN(Cc2c[nH+]c(C)n2C)CC[N@@H+](C)C1 ZINC000597151202 361016336 /nfs/dbraw/zinc/01/63/36/361016336.db2.gz JYNZKGKSICQQGP-LBPRGKRZSA-N 2 2 280.372 0.265 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000563725811 291249212 /nfs/dbraw/zinc/24/92/12/291249212.db2.gz NOHVZVGMKBDHPM-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP CCC[N@@H+]1CC[C@@H]([NH2+]C2CCN(CC(=O)OC)CC2)C1 ZINC000597223171 361034677 /nfs/dbraw/zinc/03/46/77/361034677.db2.gz MHZQZJAHXDBDLC-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[N@H+]1CC[C@@H]([NH2+]C2CCN(CC(=O)OC)CC2)C1 ZINC000597223171 361034681 /nfs/dbraw/zinc/03/46/81/361034681.db2.gz MHZQZJAHXDBDLC-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C[NH+](C)C ZINC000563812581 291252351 /nfs/dbraw/zinc/25/23/51/291252351.db2.gz AGVFIZRDESZRFW-VXGBXAGGSA-N 2 2 264.373 0.759 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C[NH+](C)C ZINC000563812579 291252217 /nfs/dbraw/zinc/25/22/17/291252217.db2.gz AGVFIZRDESZRFW-NWDGAFQWSA-N 2 2 264.373 0.759 20 0 CCADLP [NH3+][C@H]1C[C@H]2CN(c3cc[nH+]c4ccncc43)CCN2C1=O ZINC000516089128 283644589 /nfs/dbraw/zinc/64/45/89/283644589.db2.gz PGVWZJGOJPDNEZ-JQWIXIFHSA-N 2 2 283.335 0.378 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)CCCO1 ZINC000631828690 370694464 /nfs/dbraw/zinc/69/44/64/370694464.db2.gz VUCVEWDXHNJTIK-STQMWFEESA-N 2 2 267.373 0.189 20 0 CCADLP [NH3+]C[C@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)CCCO1 ZINC000631828690 370694468 /nfs/dbraw/zinc/69/44/68/370694468.db2.gz VUCVEWDXHNJTIK-STQMWFEESA-N 2 2 267.373 0.189 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CC(C)(C)CC[C@@H]1CO)C1CC1 ZINC000621381586 366756727 /nfs/dbraw/zinc/75/67/27/366756727.db2.gz XIINQUSMRGHSKL-ZIAGYGMSSA-N 2 2 270.417 0.924 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CC(C)(C)CC[C@@H]1CO)C1CC1 ZINC000621381586 366756733 /nfs/dbraw/zinc/75/67/33/366756733.db2.gz XIINQUSMRGHSKL-ZIAGYGMSSA-N 2 2 270.417 0.924 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CC(C)(C)CC[C@@H]1CO)C1CC1 ZINC000621381586 366756739 /nfs/dbraw/zinc/75/67/39/366756739.db2.gz XIINQUSMRGHSKL-ZIAGYGMSSA-N 2 2 270.417 0.924 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CC(C)(C)CC[C@@H]1CO)C1CC1 ZINC000621381586 366756745 /nfs/dbraw/zinc/75/67/45/366756745.db2.gz XIINQUSMRGHSKL-ZIAGYGMSSA-N 2 2 270.417 0.924 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)c1c[nH+]ccc1N(C)C ZINC000183514991 189360601 /nfs/dbraw/zinc/36/06/01/189360601.db2.gz TYRGYKWQZMWRQE-GFCCVEGCSA-N 2 2 292.383 0.598 20 0 CCADLP CC[S@@](=O)CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000598748063 361507665 /nfs/dbraw/zinc/50/76/65/361507665.db2.gz GAANVIJWNPHCBR-HXPMCKFVSA-N 2 2 291.461 0.143 20 0 CCADLP CC[S@@](=O)CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000598748063 361507670 /nfs/dbraw/zinc/50/76/70/361507670.db2.gz GAANVIJWNPHCBR-HXPMCKFVSA-N 2 2 291.461 0.143 20 0 CCADLP [NH3+][C@H](C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1cscn1 ZINC000564445588 291279885 /nfs/dbraw/zinc/27/98/85/291279885.db2.gz BZYKFRPWHBDHCM-KWQFWETISA-N 2 2 266.370 0.496 20 0 CCADLP [NH3+][C@H]1CCCCC[N@H+](CCn2nc3ccccn3c2=O)C1 ZINC000631832781 370699572 /nfs/dbraw/zinc/69/95/72/370699572.db2.gz NFFWUKDUVGTVRN-ZDUSSCGKSA-N 2 2 289.383 0.699 20 0 CCADLP [NH3+][C@H]1CCCCC[N@@H+](CCn2nc3ccccn3c2=O)C1 ZINC000631832781 370699576 /nfs/dbraw/zinc/69/95/76/370699576.db2.gz NFFWUKDUVGTVRN-ZDUSSCGKSA-N 2 2 289.383 0.699 20 0 CCADLP OCC[NH2+]C1CC[NH+](CCOCC(F)F)CC1 ZINC000631862854 370723159 /nfs/dbraw/zinc/72/31/59/370723159.db2.gz ORGRUCBAJHEVMJ-UHFFFAOYSA-N 2 2 252.305 0.314 20 0 CCADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccccc1-n1ccnn1 ZINC000564827962 291303258 /nfs/dbraw/zinc/30/32/58/291303258.db2.gz AOBRNKLMLMNIRW-QWHCGFSZSA-N 2 2 287.367 0.906 20 0 CCADLP C(COC[C@@H]1CCCO1)[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631868024 370727013 /nfs/dbraw/zinc/72/70/13/370727013.db2.gz TVUAZTABYJZTOV-RDBSUJKOSA-N 2 2 254.374 0.914 20 0 CCADLP C[C@H](C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)CS(C)(=O)=O ZINC000631886878 370738463 /nfs/dbraw/zinc/73/84/63/370738463.db2.gz KKJFXUKDPGHVQJ-JHJVBQTASA-N 2 2 274.430 0.741 20 0 CCADLP C[C@H](C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)CS(C)(=O)=O ZINC000631886878 370738465 /nfs/dbraw/zinc/73/84/65/370738465.db2.gz KKJFXUKDPGHVQJ-JHJVBQTASA-N 2 2 274.430 0.741 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631891242 370739344 /nfs/dbraw/zinc/73/93/44/370739344.db2.gz ZSIQHWAKLWHBND-KGLIPLIRSA-N 2 2 253.390 0.393 20 0 CCADLP C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)N1CCOCC1 ZINC000631891242 370739348 /nfs/dbraw/zinc/73/93/48/370739348.db2.gz ZSIQHWAKLWHBND-KGLIPLIRSA-N 2 2 253.390 0.393 20 0 CCADLP C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)N1CCOCC1 ZINC000631891242 370739355 /nfs/dbraw/zinc/73/93/55/370739355.db2.gz ZSIQHWAKLWHBND-KGLIPLIRSA-N 2 2 253.390 0.393 20 0 CCADLP COCCCNC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631890865 370739959 /nfs/dbraw/zinc/73/99/59/370739959.db2.gz TVZQKSUDPXEHQW-CHWSQXEVSA-N 2 2 269.389 0.213 20 0 CCADLP COCCCNC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631890865 370739963 /nfs/dbraw/zinc/73/99/63/370739963.db2.gz TVZQKSUDPXEHQW-CHWSQXEVSA-N 2 2 269.389 0.213 20 0 CCADLP [NH3+][C@]12CCC[C@@H]1CN(C(=O)c1ccc(-n3cc[nH+]c3)nn1)C2 ZINC000621693533 366840113 /nfs/dbraw/zinc/84/01/13/366840113.db2.gz XMPDGQHCOULTQL-ABAIWWIYSA-N 2 2 298.350 0.616 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000614065754 364483454 /nfs/dbraw/zinc/48/34/54/364483454.db2.gz UKEAKJCUTQYFSM-CQSZACIVSA-N 2 2 280.372 0.176 20 0 CCADLP C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@H]2C1 ZINC000614125526 364509950 /nfs/dbraw/zinc/50/99/50/364509950.db2.gz WHOCDLBTLOACFG-UPJWGTAASA-N 2 2 274.368 0.466 20 0 CCADLP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@H]2C1 ZINC000614125526 364509954 /nfs/dbraw/zinc/50/99/54/364509954.db2.gz WHOCDLBTLOACFG-UPJWGTAASA-N 2 2 274.368 0.466 20 0 CCADLP O=C(N1CCC(c2[nH]cc[nH+]2)CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000335664387 212382042 /nfs/dbraw/zinc/38/20/42/212382042.db2.gz UVXQXHDJKMTVHW-RISCZKNCSA-N 2 2 260.341 0.868 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621781123 366865213 /nfs/dbraw/zinc/86/52/13/366865213.db2.gz ZIMHCVTUVMLBFX-SGMGOOAPSA-N 2 2 269.389 0.341 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621781123 366865217 /nfs/dbraw/zinc/86/52/17/366865217.db2.gz ZIMHCVTUVMLBFX-SGMGOOAPSA-N 2 2 269.389 0.341 20 0 CCADLP CC(=O)N1CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c2ccccc21 ZINC000621752333 366860891 /nfs/dbraw/zinc/86/08/91/366860891.db2.gz YALITGHYJHFLFP-ZFWWWQNUSA-N 2 2 291.395 0.996 20 0 CCADLP CC(C)[C@@H](NC(=O)COC1C[NH2+]C1)c1[nH]cc[nH+]1 ZINC000564937011 291320246 /nfs/dbraw/zinc/32/02/46/291320246.db2.gz SQWXJBUKZQLNCX-LLVKDONJSA-N 2 2 252.318 0.211 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCCCCO)C[C@@H](C)O1 ZINC000564977633 291329465 /nfs/dbraw/zinc/32/94/65/291329465.db2.gz XWNPBXSRSICKBM-MGPQQGTHSA-N 2 2 274.405 0.209 20 0 CCADLP C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000615302172 364912675 /nfs/dbraw/zinc/91/26/75/364912675.db2.gz BUFRFWCMFIRQIP-QWRGUYRKSA-N 2 2 250.346 0.893 20 0 CCADLP C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000615265379 364897731 /nfs/dbraw/zinc/89/77/31/364897731.db2.gz IJTCHZKSFGVOFU-ZIAGYGMSSA-N 2 2 295.427 0.650 20 0 CCADLP C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000615265379 364897738 /nfs/dbraw/zinc/89/77/38/364897738.db2.gz IJTCHZKSFGVOFU-ZIAGYGMSSA-N 2 2 295.427 0.650 20 0 CCADLP CCOC(=O)N1CCC[N@H+](C[C@H](O)C[NH+](C)CC)CC1 ZINC000496748051 240387078 /nfs/dbraw/zinc/38/70/78/240387078.db2.gz JBJFJGMBIHSRBE-CYBMUJFWSA-N 2 2 287.404 0.463 20 0 CCADLP CCOC(=O)N1CCC[N@@H+](C[C@H](O)C[NH+](C)CC)CC1 ZINC000496748051 240387088 /nfs/dbraw/zinc/38/70/88/240387088.db2.gz JBJFJGMBIHSRBE-CYBMUJFWSA-N 2 2 287.404 0.463 20 0 CCADLP CCOC(=O)N1CCC[NH+](C[C@H](O)C[N@H+](C)CC)CC1 ZINC000496748051 240387095 /nfs/dbraw/zinc/38/70/95/240387095.db2.gz JBJFJGMBIHSRBE-CYBMUJFWSA-N 2 2 287.404 0.463 20 0 CCADLP CCOC(=O)N1CCC[NH+](C[C@H](O)C[N@@H+](C)CC)CC1 ZINC000496748051 240387098 /nfs/dbraw/zinc/38/70/98/240387098.db2.gz JBJFJGMBIHSRBE-CYBMUJFWSA-N 2 2 287.404 0.463 20 0 CCADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000616154221 365195367 /nfs/dbraw/zinc/19/53/67/365195367.db2.gz DVQRVZICYGJZKZ-YNEHKIRRSA-N 2 2 292.383 0.049 20 0 CCADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000616154221 365195372 /nfs/dbraw/zinc/19/53/72/365195372.db2.gz DVQRVZICYGJZKZ-YNEHKIRRSA-N 2 2 292.383 0.049 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000616926691 365470439 /nfs/dbraw/zinc/47/04/39/365470439.db2.gz MDZQOVQPGBHINT-LLVKDONJSA-N 2 2 268.386 0.805 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000616926691 365470447 /nfs/dbraw/zinc/47/04/47/365470447.db2.gz MDZQOVQPGBHINT-LLVKDONJSA-N 2 2 268.386 0.805 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000616926691 365470454 /nfs/dbraw/zinc/47/04/54/365470454.db2.gz MDZQOVQPGBHINT-LLVKDONJSA-N 2 2 268.386 0.805 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000616926691 365470458 /nfs/dbraw/zinc/47/04/58/365470458.db2.gz MDZQOVQPGBHINT-LLVKDONJSA-N 2 2 268.386 0.805 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)C[NH+]2CC(C)(C)C2)[C@H](C)C1 ZINC000565196637 291357056 /nfs/dbraw/zinc/35/70/56/291357056.db2.gz VRZLLYYEZLJNTE-OLZOCXBDSA-N 2 2 283.416 0.242 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)C[NH+]2CC(C)(C)C2)[C@H](C)C1 ZINC000565196637 291357058 /nfs/dbraw/zinc/35/70/58/291357058.db2.gz VRZLLYYEZLJNTE-OLZOCXBDSA-N 2 2 283.416 0.242 20 0 CCADLP Cc1ccc(CCCN2CC[N@@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000566230518 291380061 /nfs/dbraw/zinc/38/00/61/291380061.db2.gz OHFSJPXSXNNVBM-HNNXBMFYSA-N 2 2 262.401 0.897 20 0 CCADLP Cc1ccc(CCCN2CC[N@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000566230518 291380065 /nfs/dbraw/zinc/38/00/65/291380065.db2.gz OHFSJPXSXNNVBM-HNNXBMFYSA-N 2 2 262.401 0.897 20 0 CCADLP CN(C)[C@@H](C(=O)NCC1([NH+](C)C)CC1)c1c[nH+]cn1C ZINC000622721111 367348779 /nfs/dbraw/zinc/34/87/79/367348779.db2.gz BZGGYIKYOMFDHV-GFCCVEGCSA-N 2 2 279.388 0.233 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)[C@@H](C)[NH+]1CCOCC1 ZINC000449345566 296097161 /nfs/dbraw/zinc/09/71/61/296097161.db2.gz IOPLKGCVLAILEM-FDYHWXHSSA-N 2 2 269.389 0.067 20 0 CCADLP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623178996 367467719 /nfs/dbraw/zinc/46/77/19/367467719.db2.gz QFVGPWVKGGYOQL-QWRGUYRKSA-N 2 2 262.357 0.702 20 0 CCADLP O=C(NCC12CC(C1)C[NH2+]2)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623180410 367468870 /nfs/dbraw/zinc/46/88/70/367468870.db2.gz DIWKJPJPOYAIQX-IQLKVPPVSA-N 2 2 260.341 0.314 20 0 CCADLP C[C@]1(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCC[NH2+]C1 ZINC000623177178 367466283 /nfs/dbraw/zinc/46/62/83/367466283.db2.gz KSNDWLGVCUXVLC-DOMZBBRYSA-N 2 2 276.384 0.951 20 0 CCADLP CC1CC[NH+](CC(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1 ZINC000623264915 367503961 /nfs/dbraw/zinc/50/39/61/367503961.db2.gz WTDWPCOFQSPTIR-GFCCVEGCSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@H]1CCC[N@H+](CCNC(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000623461223 367567567 /nfs/dbraw/zinc/56/75/67/367567567.db2.gz CXCYRULFKXNFFD-KBPBESRZSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@H]1CCC[N@@H+](CCNC(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000623461223 367567570 /nfs/dbraw/zinc/56/75/70/367567570.db2.gz CXCYRULFKXNFFD-KBPBESRZSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@H]1CCC[NH+](CCNC(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000623461223 367567572 /nfs/dbraw/zinc/56/75/72/367567572.db2.gz CXCYRULFKXNFFD-KBPBESRZSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@H]1CCC[NH+](CCNC(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000623461223 367567575 /nfs/dbraw/zinc/56/75/75/367567575.db2.gz CXCYRULFKXNFFD-KBPBESRZSA-N 2 2 298.431 0.348 20 0 CCADLP CCn1ccnc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000623618243 367606024 /nfs/dbraw/zinc/60/60/24/367606024.db2.gz JSQQFJZHNAAUFD-LBPRGKRZSA-N 2 2 279.388 0.332 20 0 CCADLP CCn1ccnc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000623618243 367606032 /nfs/dbraw/zinc/60/60/32/367606032.db2.gz JSQQFJZHNAAUFD-LBPRGKRZSA-N 2 2 279.388 0.332 20 0 CCADLP CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623564247 367592286 /nfs/dbraw/zinc/59/22/86/367592286.db2.gz XDYGTYKIIJMLHB-IJLUTSLNSA-N 2 2 290.429 0.261 20 0 CCADLP CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623564247 367592290 /nfs/dbraw/zinc/59/22/90/367592290.db2.gz XDYGTYKIIJMLHB-IJLUTSLNSA-N 2 2 290.429 0.261 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2COCCN2C)C[N@@H+]1C1CC1 ZINC000623711605 367626756 /nfs/dbraw/zinc/62/67/56/367626756.db2.gz KCPSARWFOJJVHE-DYEKYZERSA-N 2 2 253.390 0.532 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2COCCN2C)C[N@H+]1C1CC1 ZINC000623711605 367626759 /nfs/dbraw/zinc/62/67/59/367626759.db2.gz KCPSARWFOJJVHE-DYEKYZERSA-N 2 2 253.390 0.532 20 0 CCADLP COCCOc1ccc(C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000623757952 367646074 /nfs/dbraw/zinc/64/60/74/367646074.db2.gz JVSSLJOYNQKOFI-OAHLLOKOSA-N 2 2 294.395 0.868 20 0 CCADLP COCCOc1ccc(C[NH2+]CC[N@H+]2CC[C@@H](O)C2)cc1 ZINC000623757952 367646082 /nfs/dbraw/zinc/64/60/82/367646082.db2.gz JVSSLJOYNQKOFI-OAHLLOKOSA-N 2 2 294.395 0.868 20 0 CCADLP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623716279 367631337 /nfs/dbraw/zinc/63/13/37/367631337.db2.gz LIWDEWBBMOAZQW-CHWSQXEVSA-N 2 2 286.420 0.347 20 0 CCADLP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623716279 367631340 /nfs/dbraw/zinc/63/13/40/367631340.db2.gz LIWDEWBBMOAZQW-CHWSQXEVSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@@H](NC(=O)NC[C@@H]1COCC[N@@H+]1C)C1=CC[NH+](C)CC1 ZINC000623873711 367683139 /nfs/dbraw/zinc/68/31/39/367683139.db2.gz OZVVBFWZYMLYJI-TZMCWYRMSA-N 2 2 296.415 0.267 20 0 CCADLP C[C@@H](NC(=O)NC[C@@H]1COCC[N@H+]1C)C1=CC[NH+](C)CC1 ZINC000623873711 367683146 /nfs/dbraw/zinc/68/31/46/367683146.db2.gz OZVVBFWZYMLYJI-TZMCWYRMSA-N 2 2 296.415 0.267 20 0 CCADLP C[C@@H](NC(=O)NC[C@@H]1COCC[NH+]1C)C1=CC[N@H+](C)CC1 ZINC000623873711 367683154 /nfs/dbraw/zinc/68/31/54/367683154.db2.gz OZVVBFWZYMLYJI-TZMCWYRMSA-N 2 2 296.415 0.267 20 0 CCADLP C[C@@H](NC(=O)NC[C@@H]1COCC[NH+]1C)C1=CC[N@@H+](C)CC1 ZINC000623873711 367683159 /nfs/dbraw/zinc/68/31/59/367683159.db2.gz OZVVBFWZYMLYJI-TZMCWYRMSA-N 2 2 296.415 0.267 20 0 CCADLP CC[N@@H+]1CCN(S(=O)(=O)CC2([NH+](C)C)CC2)C[C@H]1C ZINC000632140296 370887193 /nfs/dbraw/zinc/88/71/93/370887193.db2.gz FJPOBBHDFLJIPO-GFCCVEGCSA-N 2 2 289.445 0.436 20 0 CCADLP CC[N@H+]1CCN(S(=O)(=O)CC2([NH+](C)C)CC2)C[C@H]1C ZINC000632140296 370887197 /nfs/dbraw/zinc/88/71/97/370887197.db2.gz FJPOBBHDFLJIPO-GFCCVEGCSA-N 2 2 289.445 0.436 20 0 CCADLP CN(CC1CC[NH+](C)CC1)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624733664 367973454 /nfs/dbraw/zinc/97/34/54/367973454.db2.gz OTDWORDHMDQWDQ-AWEZNQCLSA-N 2 2 298.431 0.300 20 0 CCADLP CN(CC1CC[NH+](C)CC1)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000624733664 367973462 /nfs/dbraw/zinc/97/34/62/367973462.db2.gz OTDWORDHMDQWDQ-AWEZNQCLSA-N 2 2 298.431 0.300 20 0 CCADLP c1[nH]c2c([nH+]1)CC[N@@H+](CCc1nnnn1-c1ccccc1)C2 ZINC000625438793 368200686 /nfs/dbraw/zinc/20/06/86/368200686.db2.gz YGAGLQCWGBUZLW-UHFFFAOYSA-N 2 2 295.350 0.986 20 0 CCADLP c1[nH]c2c([nH+]1)CC[N@H+](CCc1nnnn1-c1ccccc1)C2 ZINC000625438793 368200693 /nfs/dbraw/zinc/20/06/93/368200693.db2.gz YGAGLQCWGBUZLW-UHFFFAOYSA-N 2 2 295.350 0.986 20 0 CCADLP COC[C@H](C[NH+]1CCC(C)([NH+]2CCOCC2)CC1)OC ZINC000625960595 368375212 /nfs/dbraw/zinc/37/52/12/368375212.db2.gz QDHPMOPSANVELH-AWEZNQCLSA-N 2 2 286.416 0.835 20 0 CCADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@H]2COCCO2)CC1 ZINC000626089649 368437117 /nfs/dbraw/zinc/43/71/17/368437117.db2.gz ZDSOMHPQTYTDHC-HNNXBMFYSA-N 2 2 298.427 0.979 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CC(F)(F)C[NH2+]1 ZINC000360820619 284059524 /nfs/dbraw/zinc/05/95/24/284059524.db2.gz VXCSSWKMBTVNDS-MXWKQRLJSA-N 2 2 273.327 0.727 20 0 CCADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1CC(F)(F)C[NH2+]1 ZINC000360820619 284059527 /nfs/dbraw/zinc/05/95/27/284059527.db2.gz VXCSSWKMBTVNDS-MXWKQRLJSA-N 2 2 273.327 0.727 20 0 CCADLP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422816865 296125144 /nfs/dbraw/zinc/12/51/44/296125144.db2.gz GHBNJLKQCDGYKO-HIFRSBDPSA-N 3 2 268.449 0.743 20 0 CCADLP Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)c(C)[nH+]1 ZINC000626913702 368675187 /nfs/dbraw/zinc/67/51/87/368675187.db2.gz TVHFDGXTDIFLQD-SNVBAGLBSA-N 2 2 262.313 0.115 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)NCCn2cc[nH+]c2)C[NH2+]1 ZINC000626922559 368680067 /nfs/dbraw/zinc/68/00/67/368680067.db2.gz ADLBRLVAZFHERC-MNOVXSKESA-N 2 2 251.334 0.323 20 0 CCADLP C[C@@H]1CN(S(=O)(=O)CCC[NH+](C)C)[C@@H](C)C[N@@H+]1C ZINC000632169776 370903272 /nfs/dbraw/zinc/90/32/72/370903272.db2.gz FMAXLQVMWCJBMP-NEPJUHHUSA-N 2 2 277.434 0.292 20 0 CCADLP C[C@@H]1CN(S(=O)(=O)CCC[NH+](C)C)[C@@H](C)C[N@H+]1C ZINC000632169776 370903275 /nfs/dbraw/zinc/90/32/75/370903275.db2.gz FMAXLQVMWCJBMP-NEPJUHHUSA-N 2 2 277.434 0.292 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)N(C)CCOCC[NH3+] ZINC000627048485 368755201 /nfs/dbraw/zinc/75/52/01/368755201.db2.gz FFOHGPKDJSQQAG-UHFFFAOYSA-N 2 2 269.349 0.020 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000627158132 368832400 /nfs/dbraw/zinc/83/24/00/368832400.db2.gz KHKAMGXMRPDFDL-MELADBBJSA-N 2 2 296.415 0.243 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)N2CCn3c[nH+]cc3C2)C[NH2+]1 ZINC000627206751 368877693 /nfs/dbraw/zinc/87/76/93/368877693.db2.gz ILJLKADWNCMDBC-QWRGUYRKSA-N 2 2 263.345 0.549 20 0 CCADLP C[NH2+]CCOCCNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000627175561 368848392 /nfs/dbraw/zinc/84/83/92/368848392.db2.gz XEIQQYZOWPNVMI-LBPRGKRZSA-N 2 2 295.387 0.155 20 0 CCADLP C[NH2+]CCC1CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000627183846 368853073 /nfs/dbraw/zinc/85/30/73/368853073.db2.gz ODPKRPMFQQWHPZ-AWEZNQCLSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH2+]CCC1CCN(C(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000627183846 368853084 /nfs/dbraw/zinc/85/30/84/368853084.db2.gz ODPKRPMFQQWHPZ-AWEZNQCLSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@H]21 ZINC000627652604 369065775 /nfs/dbraw/zinc/06/57/75/369065775.db2.gz MLRVXDPBXVBCJV-NMKXLXIOSA-N 2 2 274.368 0.464 20 0 CCADLP OC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000656262082 412774902 /nfs/dbraw/zinc/77/49/02/412774902.db2.gz HWQHPSXDLAWLBP-CFVMTHIKSA-N 2 2 268.401 0.990 20 0 CCADLP CNC(=O)[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(C)C ZINC000656256157 412775883 /nfs/dbraw/zinc/77/58/83/412775883.db2.gz UTTVTQXUKYDSIS-CABCVRRESA-N 2 2 297.443 0.990 20 0 CCADLP Cc1ncc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)o1 ZINC000628214576 369214291 /nfs/dbraw/zinc/21/42/91/369214291.db2.gz CYZCQMBZYUWRBA-AWEZNQCLSA-N 2 2 294.399 0.479 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000628421605 369265624 /nfs/dbraw/zinc/26/56/24/369265624.db2.gz KBNQVPSIUBANHC-RDBSUJKOSA-N 2 2 281.400 0.483 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000628421605 369265630 /nfs/dbraw/zinc/26/56/30/369265630.db2.gz KBNQVPSIUBANHC-RDBSUJKOSA-N 2 2 281.400 0.483 20 0 CCADLP COc1cc(C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)cc(OC)c1O ZINC000628464694 369271051 /nfs/dbraw/zinc/27/10/51/369271051.db2.gz FUWGGSMJKJBDFN-GFCCVEGCSA-N 2 2 296.367 0.566 20 0 CCADLP COc1cc(C[NH2+]CC[N@H+]2CC[C@@H](O)C2)cc(OC)c1O ZINC000628464694 369271055 /nfs/dbraw/zinc/27/10/55/369271055.db2.gz FUWGGSMJKJBDFN-GFCCVEGCSA-N 2 2 296.367 0.566 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346988538 284157282 /nfs/dbraw/zinc/15/72/82/284157282.db2.gz RFWJKCDYMXANOE-UTUOFQBUSA-N 2 2 256.346 0.248 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346988538 284157285 /nfs/dbraw/zinc/15/72/85/284157285.db2.gz RFWJKCDYMXANOE-UTUOFQBUSA-N 2 2 256.346 0.248 20 0 CCADLP CC[N@@H+]1CCN(S(=O)(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC000632329891 370988797 /nfs/dbraw/zinc/98/87/97/370988797.db2.gz GMJAFCVANGCDED-GFCCVEGCSA-N 2 2 277.434 0.294 20 0 CCADLP CC[N@H+]1CCN(S(=O)(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC000632329891 370988803 /nfs/dbraw/zinc/98/88/03/370988803.db2.gz GMJAFCVANGCDED-GFCCVEGCSA-N 2 2 277.434 0.294 20 0 CCADLP C[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)C[NH+]1CCOCC1 ZINC000629564419 369710326 /nfs/dbraw/zinc/71/03/26/369710326.db2.gz JXKVNEDBHNKNSL-CABCVRRESA-N 3 2 285.432 0.001 20 0 CCADLP C[C@H](CNC[C@H](O)C[NH+]1CCCC1)C[NH+]1CCOCC1 ZINC000629564419 369710330 /nfs/dbraw/zinc/71/03/30/369710330.db2.gz JXKVNEDBHNKNSL-CABCVRRESA-N 2 2 285.432 0.001 20 0 CCADLP C[N@H+](CCOCC[NH3+])Cc1nc(N)c2ccccc2n1 ZINC000629577152 369719607 /nfs/dbraw/zinc/71/96/07/369719607.db2.gz FFLHQZORQCKSHX-UHFFFAOYSA-N 2 2 275.356 0.449 20 0 CCADLP C[N@@H+](CCOCC[NH3+])Cc1nc(N)c2ccccc2n1 ZINC000629577152 369719610 /nfs/dbraw/zinc/71/96/10/369719610.db2.gz FFLHQZORQCKSHX-UHFFFAOYSA-N 2 2 275.356 0.449 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000629516432 369689297 /nfs/dbraw/zinc/68/92/97/369689297.db2.gz FSXQXCGVTLDMNN-MNOVXSKESA-N 2 2 260.403 0.684 20 0 CCADLP Cn1ccnc1[C@H]([NH2+]CC1([NH3+])CCOCC1)C1CC1 ZINC000629522806 369690594 /nfs/dbraw/zinc/69/05/94/369690594.db2.gz BPHIAOFWOIZJPE-GFCCVEGCSA-N 2 2 264.373 0.969 20 0 CCADLP CC(C)(C)CNC(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000629531495 369692298 /nfs/dbraw/zinc/69/22/98/369692298.db2.gz NGEACEWCSSGSPK-ZDUSSCGKSA-N 2 2 282.432 0.128 20 0 CCADLP C[C@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)[C@@H]1CCC[NH2+]1 ZINC000629555773 369705444 /nfs/dbraw/zinc/70/54/44/369705444.db2.gz DJVYKCHHRXZALE-DRZSPHRISA-N 2 2 251.374 0.870 20 0 CCADLP C[C@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)[C@H]1CCC[NH2+]1 ZINC000629555772 369705551 /nfs/dbraw/zinc/70/55/51/369705551.db2.gz DJVYKCHHRXZALE-CYZMBNFOSA-N 2 2 251.374 0.870 20 0 CCADLP C[NH2+]CCOCC[N@H+](C)Cc1c(Cl)cnn1C ZINC000629652666 369747623 /nfs/dbraw/zinc/74/76/23/369747623.db2.gz BSRJLBQPUDCGRR-UHFFFAOYSA-N 2 2 260.769 0.741 20 0 CCADLP C[NH2+]CCOCC[N@@H+](C)Cc1c(Cl)cnn1C ZINC000629652666 369747624 /nfs/dbraw/zinc/74/76/24/369747624.db2.gz BSRJLBQPUDCGRR-UHFFFAOYSA-N 2 2 260.769 0.741 20 0 CCADLP CC(C)(C)c1n[nH]cc1C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000629654530 369749584 /nfs/dbraw/zinc/74/95/84/369749584.db2.gz YOIQDKWGOKSRLF-UHFFFAOYSA-N 2 2 290.371 0.951 20 0 CCADLP CC[C@H](C)NC(=O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584573 369728534 /nfs/dbraw/zinc/72/85/34/369728534.db2.gz SBDXKGNPWZNCKB-FPMFFAJLSA-N 2 2 253.390 0.833 20 0 CCADLP CC[C@H](C)NC(=O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584573 369728537 /nfs/dbraw/zinc/72/85/37/369728537.db2.gz SBDXKGNPWZNCKB-FPMFFAJLSA-N 2 2 253.390 0.833 20 0 CCADLP CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000629595232 369734359 /nfs/dbraw/zinc/73/43/59/369734359.db2.gz LKEJQFFQLBDDRT-LLVKDONJSA-N 2 2 295.387 0.754 20 0 CCADLP CC(=O)NC[C@H]1CCCC[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000629595232 369734360 /nfs/dbraw/zinc/73/43/60/369734360.db2.gz LKEJQFFQLBDDRT-LLVKDONJSA-N 2 2 295.387 0.754 20 0 CCADLP C[N@H+](CC(=O)N[C@@H]1CCn2cc[nH+]c2C1)C1CCC1 ZINC000629983690 369870311 /nfs/dbraw/zinc/87/03/11/369870311.db2.gz VEQSNFYGYXVDEC-LLVKDONJSA-N 2 2 262.357 0.798 20 0 CCADLP C[N@@H+](CC(=O)N[C@@H]1CCn2cc[nH+]c2C1)C1CCC1 ZINC000629983690 369870314 /nfs/dbraw/zinc/87/03/14/369870314.db2.gz VEQSNFYGYXVDEC-LLVKDONJSA-N 2 2 262.357 0.798 20 0 CCADLP COc1c(N)[nH+]cnc1N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000630385577 370088283 /nfs/dbraw/zinc/08/82/83/370088283.db2.gz MDDMDCKPJVKTRJ-UWVGGRQHSA-N 2 2 263.345 0.646 20 0 CCADLP COc1c(N)nc[nH+]c1N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000630385577 370088285 /nfs/dbraw/zinc/08/82/85/370088285.db2.gz MDDMDCKPJVKTRJ-UWVGGRQHSA-N 2 2 263.345 0.646 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000630409415 370103468 /nfs/dbraw/zinc/10/34/68/370103468.db2.gz QNGOWEWRBMVKGK-SNVBAGLBSA-N 2 2 262.317 0.836 20 0 CCADLP C[C@H](O)[C@@H]1CCN(c2cc(N3C[C@@H]4C[C@H]3C[NH2+]4)nc[nH+]2)C1 ZINC000630555398 370168866 /nfs/dbraw/zinc/16/88/66/370168866.db2.gz LCJJECWUDFNEHY-RNJOBUHISA-N 2 2 289.383 0.234 20 0 CCADLP CCC(=O)NCc1cn(CC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000630612635 370209290 /nfs/dbraw/zinc/20/92/90/370209290.db2.gz XEXMOBNEOWKLHT-UHFFFAOYSA-N 2 2 296.419 0.188 20 0 CCADLP CCC(=O)NCc1cn(CC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000630612635 370209293 /nfs/dbraw/zinc/20/92/93/370209293.db2.gz XEXMOBNEOWKLHT-UHFFFAOYSA-N 2 2 296.419 0.188 20 0 CCADLP c1c(CC[NH+]2CCOCC2)nnn1CC[NH+]1CCCC1 ZINC000630618322 370213859 /nfs/dbraw/zinc/21/38/59/370213859.db2.gz VBNBJCACCSUXOJ-UHFFFAOYSA-N 2 2 279.388 0.249 20 0 CCADLP c1c(C[NH+]2CCSCC2)nnn1CC[NH+]1CCCC1 ZINC000630619008 370215072 /nfs/dbraw/zinc/21/50/72/370215072.db2.gz JCCQSDGCSHKRAK-UHFFFAOYSA-N 2 2 281.429 0.923 20 0 CCADLP COC[C@@H]([NH3+])Cc1cn(Cc2cn3ccccc3[nH+]2)nn1 ZINC000630601990 370201108 /nfs/dbraw/zinc/20/11/08/370201108.db2.gz QMPAOKLLFGPFQK-NSHDSACASA-N 2 2 286.339 0.490 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCCn2cc[nH+]c2)CC[N@@H+]1C ZINC000630734390 370252102 /nfs/dbraw/zinc/25/21/02/370252102.db2.gz AIMHLRVZULZEHQ-NWDGAFQWSA-N 2 2 250.346 0.730 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCCn2cc[nH+]c2)CC[N@H+]1C ZINC000630734390 370252106 /nfs/dbraw/zinc/25/21/06/370252106.db2.gz AIMHLRVZULZEHQ-NWDGAFQWSA-N 2 2 250.346 0.730 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCCCn1cc[nH+]c1 ZINC000631000917 370356460 /nfs/dbraw/zinc/35/64/60/370356460.db2.gz JLFJPWXLWROMRO-MNOVXSKESA-N 2 2 251.334 0.404 20 0 CCADLP Cc1nc(NC[C@H](C(C)C)[NH+]2CCCC2)nc(N)[nH+]1 ZINC000631050522 370367659 /nfs/dbraw/zinc/36/76/59/370367659.db2.gz HLNBZFSWGRYKQV-LLVKDONJSA-N 2 2 264.377 0.547 20 0 CCADLP COC1CC[NH+](CC[NH2+]Cc2ccc(=O)[nH]c2)CC1 ZINC000631086394 370381499 /nfs/dbraw/zinc/38/14/99/370381499.db2.gz WUKVZBXJGYUNJK-UHFFFAOYSA-N 2 2 265.357 0.988 20 0 CCADLP Cc1nc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc(N)[nH+]1 ZINC000631096938 370382387 /nfs/dbraw/zinc/38/23/87/370382387.db2.gz MBSBUXLULWVSDM-SECBINFHSA-N 2 2 259.317 0.700 20 0 CCADLP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)[C@H](O)C(F)(F)F ZINC000631235818 370433784 /nfs/dbraw/zinc/43/37/84/370433784.db2.gz KIKWDYQCIVIDKU-CBAPKCEASA-N 2 2 280.294 0.887 20 0 CCADLP CCCCc1cc(NC[C@](C)(O)C[NH+](C)C)nc[nH+]1 ZINC000631177809 370412416 /nfs/dbraw/zinc/41/24/16/370412416.db2.gz ACLYHSHOQXAMAI-AWEZNQCLSA-N 2 2 266.389 0.966 20 0 CCADLP Cc1nc(NCC(C)(C)C[NH+]2CCCC2)nc(N)[nH+]1 ZINC000631244012 370436411 /nfs/dbraw/zinc/43/64/11/370436411.db2.gz VHBAGKAZDQMWIE-UHFFFAOYSA-N 2 2 264.377 0.548 20 0 CCADLP Cc1nc(N)nc(NCC(C)(C)C[NH+]2CCCC2)[nH+]1 ZINC000631244012 370436416 /nfs/dbraw/zinc/43/64/16/370436416.db2.gz VHBAGKAZDQMWIE-UHFFFAOYSA-N 2 2 264.377 0.548 20 0 CCADLP Cc1nc(NC[C@@H]2CCCC[N@H+]2C2CC2)nc(N)[nH+]1 ZINC000631249193 370437199 /nfs/dbraw/zinc/43/71/99/370437199.db2.gz OIQWWDBFHTVAKF-NSHDSACASA-N 2 2 262.361 0.443 20 0 CCADLP CC1([NH+]2CCCC2)CCN(c2nc(N)nc(N)[nH+]2)CC1 ZINC000631445494 370544007 /nfs/dbraw/zinc/54/40/07/370544007.db2.gz UANDIKZMPNWWFB-UHFFFAOYSA-N 2 2 277.376 0.151 20 0 CCADLP COC(=O)[C@@]1(C)CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000412076618 284229443 /nfs/dbraw/zinc/22/94/43/284229443.db2.gz SOWJSHNQQDDCPF-HIFRSBDPSA-N 2 2 284.400 0.717 20 0 CCADLP COC(=O)[C@@]1(C)CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000412076618 284229444 /nfs/dbraw/zinc/22/94/44/284229444.db2.gz SOWJSHNQQDDCPF-HIFRSBDPSA-N 2 2 284.400 0.717 20 0 CCADLP COC(=O)[C@@]1(C)CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000412076618 284229445 /nfs/dbraw/zinc/22/94/45/284229445.db2.gz SOWJSHNQQDDCPF-HIFRSBDPSA-N 2 2 284.400 0.717 20 0 CCADLP COC(=O)[C@@]1(C)CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000412076618 284229446 /nfs/dbraw/zinc/22/94/46/284229446.db2.gz SOWJSHNQQDDCPF-HIFRSBDPSA-N 2 2 284.400 0.717 20 0 CCADLP CC[C@H](NC(C)=O)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000631626158 370614712 /nfs/dbraw/zinc/61/47/12/370614712.db2.gz UWSLOKRUJOEUKM-AWEZNQCLSA-N 2 2 298.431 0.043 20 0 CCADLP C[C@@H]1C[C@@H](NS(=O)(=O)CCC[NH+](C)C)c2[nH+]ccn21 ZINC000632417857 371050236 /nfs/dbraw/zinc/05/02/36/371050236.db2.gz PDIHWAWHAFTQEU-GHMZBOCLSA-N 2 2 286.401 0.760 20 0 CCADLP CC[C@]1(O)CCC[N@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000640036410 376204149 /nfs/dbraw/zinc/20/41/49/376204149.db2.gz ROSGZARUBQRVAC-KGLIPLIRSA-N 2 2 274.405 0.162 20 0 CCADLP CC[C@]1(O)CCC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000640036410 376204151 /nfs/dbraw/zinc/20/41/51/376204151.db2.gz ROSGZARUBQRVAC-KGLIPLIRSA-N 2 2 274.405 0.162 20 0 CCADLP CC[C@]1(O)CCC[NH+](C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000640036410 376204157 /nfs/dbraw/zinc/20/41/57/376204157.db2.gz ROSGZARUBQRVAC-KGLIPLIRSA-N 2 2 274.405 0.162 20 0 CCADLP CC[C@]1(O)CCC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000640036410 376204162 /nfs/dbraw/zinc/20/41/62/376204162.db2.gz ROSGZARUBQRVAC-KGLIPLIRSA-N 2 2 274.405 0.162 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000632792656 371263976 /nfs/dbraw/zinc/26/39/76/371263976.db2.gz ZWAGUZQEJQZRJS-SOUVJXGZSA-N 2 2 297.443 0.896 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)CC[N@H+]1C ZINC000632792656 371263979 /nfs/dbraw/zinc/26/39/79/371263979.db2.gz ZWAGUZQEJQZRJS-SOUVJXGZSA-N 2 2 297.443 0.896 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000633040756 371373463 /nfs/dbraw/zinc/37/34/63/371373463.db2.gz RRYIWPXSDNPRAG-NSHDSACASA-N 2 2 281.360 0.272 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000633040756 371373467 /nfs/dbraw/zinc/37/34/67/371373467.db2.gz RRYIWPXSDNPRAG-NSHDSACASA-N 2 2 281.360 0.272 20 0 CCADLP CCC1([NH+](C)C)CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000640037195 376206699 /nfs/dbraw/zinc/20/66/99/376206699.db2.gz RVYAJMLVLDOGNB-OAHLLOKOSA-N 2 2 299.459 0.486 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000567829638 291522104 /nfs/dbraw/zinc/52/21/04/291522104.db2.gz BEXSNZNPYXCWQF-JTQLQIEISA-N 2 2 277.359 0.935 20 0 CCADLP Cc1[nH]c2ccc(-n3cc(C[C@H]([NH3+])CO)nn3)cc2[nH+]1 ZINC000656439450 412792335 /nfs/dbraw/zinc/79/23/35/412792335.db2.gz PFVBPWSQTRNUSA-VIFPVBQESA-N 2 2 272.312 0.314 20 0 CCADLP Cc1[nH]c2cc(-n3cc(C[C@H]([NH3+])CO)nn3)ccc2[nH+]1 ZINC000656439450 412792339 /nfs/dbraw/zinc/79/23/39/412792339.db2.gz PFVBPWSQTRNUSA-VIFPVBQESA-N 2 2 272.312 0.314 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2C[C@@H](C)OC[C@H]2C)CC[N@@H+]1C ZINC000633616029 371632353 /nfs/dbraw/zinc/63/23/53/371632353.db2.gz BYFIOUMLCYMHEH-APIJFGDWSA-N 2 2 297.443 0.942 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2C[C@@H](C)OC[C@H]2C)CC[N@H+]1C ZINC000633616029 371632362 /nfs/dbraw/zinc/63/23/62/371632362.db2.gz BYFIOUMLCYMHEH-APIJFGDWSA-N 2 2 297.443 0.942 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)CC[NH+]1C ZINC000633616029 371632371 /nfs/dbraw/zinc/63/23/71/371632371.db2.gz BYFIOUMLCYMHEH-APIJFGDWSA-N 2 2 297.443 0.942 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)CC[NH+]1C ZINC000633616029 371632378 /nfs/dbraw/zinc/63/23/78/371632378.db2.gz BYFIOUMLCYMHEH-APIJFGDWSA-N 2 2 297.443 0.942 20 0 CCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@H]3CCOC3)c2)CC1 ZINC000634195078 371944850 /nfs/dbraw/zinc/94/48/50/371944850.db2.gz QXQJSUAJKKLNST-GFCCVEGCSA-N 2 2 290.367 0.808 20 0 CCADLP COc1cccc2c1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C2 ZINC000634306286 372009051 /nfs/dbraw/zinc/00/90/51/372009051.db2.gz VYYWDXHMUVWYID-CYBMUJFWSA-N 2 2 277.368 0.816 20 0 CCADLP Cn1c[nH+]c(CC[NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)c1 ZINC000634716494 372160484 /nfs/dbraw/zinc/16/04/84/372160484.db2.gz VKEMNOKTDVTYIL-ZIAGYGMSSA-N 2 2 267.373 0.464 20 0 CCADLP c1cn(-c2cc(N3CC[C@H]4CC[NH2+][C@@H]4C3)ncn2)c[nH+]1 ZINC000634807764 372247752 /nfs/dbraw/zinc/24/77/52/372247752.db2.gz ABYQYLJYTGKARJ-VXGBXAGGSA-N 2 2 270.340 0.851 20 0 CCADLP [NH3+]CC1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000634808381 372249946 /nfs/dbraw/zinc/24/99/46/372249946.db2.gz QRUSOLFGIOJENI-UHFFFAOYSA-N 2 2 277.372 0.488 20 0 CCADLP [NH3+]CC1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000634808381 372249952 /nfs/dbraw/zinc/24/99/52/372249952.db2.gz QRUSOLFGIOJENI-UHFFFAOYSA-N 2 2 277.372 0.488 20 0 CCADLP [NH3+]CC[C@@H]1CCCCN1c1nc[nH+]c2c1OCCN2 ZINC000634808912 372250288 /nfs/dbraw/zinc/25/02/88/372250288.db2.gz GMSDXGIACDKQRM-JTQLQIEISA-N 2 2 263.345 0.989 20 0 CCADLP [NH3+]CC[C@@H]1CCCCN1c1[nH+]cnc2c1OCCN2 ZINC000634808912 372250293 /nfs/dbraw/zinc/25/02/93/372250293.db2.gz GMSDXGIACDKQRM-JTQLQIEISA-N 2 2 263.345 0.989 20 0 CCADLP COc1c(C)[nH+]c(C2CC2)nc1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000634810128 372253375 /nfs/dbraw/zinc/25/33/75/372253375.db2.gz MWSSXUVTQRRISO-URLYPYJESA-N 2 2 260.341 0.723 20 0 CCADLP C[C@H](O)CNc1cc(N[C@@H]2CCC[NH2+]CC2)nc[nH+]1 ZINC000634813806 372259030 /nfs/dbraw/zinc/25/90/30/372259030.db2.gz XWHNUZVEXZEPOJ-WDEREUQCSA-N 2 2 265.361 0.823 20 0 CCADLP C[C@H](O)CNc1cc(N[C@@H]2CCC[NH2+]CC2)[nH+]cn1 ZINC000634813806 372259038 /nfs/dbraw/zinc/25/90/38/372259038.db2.gz XWHNUZVEXZEPOJ-WDEREUQCSA-N 2 2 265.361 0.823 20 0 CCADLP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CCCS(=O)(=O)CC1 ZINC000634957530 372312667 /nfs/dbraw/zinc/31/26/67/372312667.db2.gz PVHPCWPEQXVHCX-RYUDHWBXSA-N 2 2 262.419 0.884 20 0 CCADLP C[C@@H](C[NH2+][C@H]1CCNC(=O)CC1)C[NH+]1CCOCC1 ZINC000634963525 372315460 /nfs/dbraw/zinc/31/54/60/372315460.db2.gz WADMEVMNXMPKAJ-QWHCGFSZSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)[C@@H](C)O1 ZINC000635003521 372339861 /nfs/dbraw/zinc/33/98/61/372339861.db2.gz DQBJOIYJCUPUGC-IGJDLRFWSA-N 2 2 254.374 0.909 20 0 CCADLP C[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)[C@H]1CCC[NH2+]1 ZINC000635022989 372351314 /nfs/dbraw/zinc/35/13/14/372351314.db2.gz QRHNSIILDBZXTA-IACUBPJLSA-N 2 2 281.400 0.496 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)[C@H]1CCC[NH2+]1 ZINC000635022991 372351454 /nfs/dbraw/zinc/35/14/54/372351454.db2.gz QRHNSIILDBZXTA-MRVWCRGKSA-N 2 2 281.400 0.496 20 0 CCADLP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)Cn1cc[nH+]c1 ZINC000635592457 372665323 /nfs/dbraw/zinc/66/53/23/372665323.db2.gz MNJLSRKUVGLVNK-STQMWFEESA-N 2 2 264.373 0.977 20 0 CCADLP C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)Cn1cc[nH+]c1 ZINC000635592457 372665326 /nfs/dbraw/zinc/66/53/26/372665326.db2.gz MNJLSRKUVGLVNK-STQMWFEESA-N 2 2 264.373 0.977 20 0 CCADLP CCC(C)(C)[C@H](O)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000635669684 372746649 /nfs/dbraw/zinc/74/66/49/372746649.db2.gz VJSPNMLGDJVLAO-CQSZACIVSA-N 2 2 299.459 0.926 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCOCC2(CCOCC2)C1 ZINC000517038311 284341168 /nfs/dbraw/zinc/34/11/68/284341168.db2.gz VSGUBZDGXLZQRY-CQSZACIVSA-N 2 2 286.416 0.428 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCOCC2(CCOCC2)C1 ZINC000517038311 284341169 /nfs/dbraw/zinc/34/11/69/284341169.db2.gz VSGUBZDGXLZQRY-CQSZACIVSA-N 2 2 286.416 0.428 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000517038311 284341170 /nfs/dbraw/zinc/34/11/70/284341170.db2.gz VSGUBZDGXLZQRY-CQSZACIVSA-N 2 2 286.416 0.428 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000517038311 284341171 /nfs/dbraw/zinc/34/11/71/284341171.db2.gz VSGUBZDGXLZQRY-CQSZACIVSA-N 2 2 286.416 0.428 20 0 CCADLP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000635714578 372804502 /nfs/dbraw/zinc/80/45/02/372804502.db2.gz CPHYOMOTVCYMKC-MNOVXSKESA-N 2 2 262.357 0.725 20 0 CCADLP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000635714578 372804508 /nfs/dbraw/zinc/80/45/08/372804508.db2.gz CPHYOMOTVCYMKC-MNOVXSKESA-N 2 2 262.357 0.725 20 0 CCADLP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000635714578 372804513 /nfs/dbraw/zinc/80/45/13/372804513.db2.gz CPHYOMOTVCYMKC-MNOVXSKESA-N 2 2 262.357 0.725 20 0 CCADLP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000635714578 372804517 /nfs/dbraw/zinc/80/45/17/372804517.db2.gz CPHYOMOTVCYMKC-MNOVXSKESA-N 2 2 262.357 0.725 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000333281856 205181080 /nfs/dbraw/zinc/18/10/80/205181080.db2.gz MPNBHUHPEDWQPO-AEGPPILISA-N 2 2 295.427 0.744 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000333281856 205181084 /nfs/dbraw/zinc/18/10/84/205181084.db2.gz MPNBHUHPEDWQPO-AEGPPILISA-N 2 2 295.427 0.744 20 0 CCADLP C[C@@H](NC(=O)N[C@@H]1CCC[NH2+]C1)[C@@H](C)[NH+]1CCOCC1 ZINC000333366401 205259004 /nfs/dbraw/zinc/25/90/04/205259004.db2.gz LVMDBPAHWJZTLD-JHJVBQTASA-N 2 2 284.404 0.147 20 0 CCADLP CCc1c[nH]c(CC(=O)NCC[N@@H+]2CCCOCC2)[nH+]1 ZINC000635834090 372975248 /nfs/dbraw/zinc/97/52/48/372975248.db2.gz BNKYUAMJDRAEIX-UHFFFAOYSA-N 2 2 280.372 0.353 20 0 CCADLP CCc1c[nH]c(CC(=O)NCC[N@H+]2CCCOCC2)[nH+]1 ZINC000635834090 372975261 /nfs/dbraw/zinc/97/52/61/372975261.db2.gz BNKYUAMJDRAEIX-UHFFFAOYSA-N 2 2 280.372 0.353 20 0 CCADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635987685 373210293 /nfs/dbraw/zinc/21/02/93/373210293.db2.gz XNNXSUUHUUWQNN-RISCZKNCSA-N 2 2 274.368 0.941 20 0 CCADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635987685 373210298 /nfs/dbraw/zinc/21/02/98/373210298.db2.gz XNNXSUUHUUWQNN-RISCZKNCSA-N 2 2 274.368 0.941 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)C1(C[NH+](C)C)CC1 ZINC000635983979 373205592 /nfs/dbraw/zinc/20/55/92/373205592.db2.gz POJFAOVEHLPPBW-UHFFFAOYSA-N 2 2 250.346 0.861 20 0 CCADLP C[C@H](C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000636139299 373396884 /nfs/dbraw/zinc/39/68/84/373396884.db2.gz LXBVNHZQSKXCLG-WUHRBBMRSA-N 2 2 271.405 0.550 20 0 CCADLP C[C@H](C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000636139299 373396887 /nfs/dbraw/zinc/39/68/87/373396887.db2.gz LXBVNHZQSKXCLG-WUHRBBMRSA-N 2 2 271.405 0.550 20 0 CCADLP O=C(N[C@H]1Cc2c[nH+]cn2C1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000636578838 373652976 /nfs/dbraw/zinc/65/29/76/373652976.db2.gz PVTGBKUBMCLFIK-AGIUHOORSA-N 2 2 289.383 0.734 20 0 CCADLP O=C(N[C@H]1Cc2c[nH+]cn2C1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000636578838 373652982 /nfs/dbraw/zinc/65/29/82/373652982.db2.gz PVTGBKUBMCLFIK-AGIUHOORSA-N 2 2 289.383 0.734 20 0 CCADLP CC[NH+](CC)CCCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636453643 373607806 /nfs/dbraw/zinc/60/78/06/373607806.db2.gz GPZYGKXAOKVTFU-GFCCVEGCSA-N 2 2 279.388 0.839 20 0 CCADLP O=C(NCCn1cc[nH+]c1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636476863 373615202 /nfs/dbraw/zinc/61/52/02/373615202.db2.gz DQKIKLNWDDOZII-JTQLQIEISA-N 2 2 260.301 0.004 20 0 CCADLP O=C(NCCC[NH+]1CCCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636492825 373620457 /nfs/dbraw/zinc/62/04/57/373620457.db2.gz BGESYWFWTHTWFY-LBPRGKRZSA-N 2 2 277.372 0.593 20 0 CCADLP CCCC[N@H+](C)CCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636774115 373752003 /nfs/dbraw/zinc/75/20/03/373752003.db2.gz JJMUROSSGCDQEA-GFCCVEGCSA-N 2 2 279.388 0.839 20 0 CCADLP CCCC[N@@H+](C)CCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636774115 373752009 /nfs/dbraw/zinc/75/20/09/373752009.db2.gz JJMUROSSGCDQEA-GFCCVEGCSA-N 2 2 279.388 0.839 20 0 CCADLP CCC(=O)N1CC[C@@H]([NH2+]Cc2c[nH+]c(C)n2C)C1 ZINC000568273677 291578421 /nfs/dbraw/zinc/57/84/21/291578421.db2.gz XBFPUWRRYGGRFE-LLVKDONJSA-N 2 2 250.346 0.829 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000637029713 373886193 /nfs/dbraw/zinc/88/61/93/373886193.db2.gz VLJXEIZLYMWQAD-RBSFLKMASA-N 2 2 295.427 0.650 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000637029713 373886200 /nfs/dbraw/zinc/88/62/00/373886200.db2.gz VLJXEIZLYMWQAD-RBSFLKMASA-N 2 2 295.427 0.650 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000637029713 373886205 /nfs/dbraw/zinc/88/62/05/373886205.db2.gz VLJXEIZLYMWQAD-RBSFLKMASA-N 2 2 295.427 0.650 20 0 CCADLP C[N@@H+]1CCC[C@H](CCNC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000637216427 374020189 /nfs/dbraw/zinc/02/01/89/374020189.db2.gz NZAWYPVMSDACJU-OLZOCXBDSA-N 2 2 291.399 0.839 20 0 CCADLP C[N@H+]1CCC[C@H](CCNC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000637216427 374020193 /nfs/dbraw/zinc/02/01/93/374020193.db2.gz NZAWYPVMSDACJU-OLZOCXBDSA-N 2 2 291.399 0.839 20 0 CCADLP C[C@H]1C[NH+](CCCNC(=O)N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000637434093 374149393 /nfs/dbraw/zinc/14/93/93/374149393.db2.gz NMKVNOVQQZDOSD-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000637441632 374159568 /nfs/dbraw/zinc/15/95/68/374159568.db2.gz APXRQNSVCXTOSV-OLZOCXBDSA-N 2 2 284.404 0.053 20 0 CCADLP C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000637441632 374159580 /nfs/dbraw/zinc/15/95/80/374159580.db2.gz APXRQNSVCXTOSV-OLZOCXBDSA-N 2 2 284.404 0.053 20 0 CCADLP CC(C)C[C@H](C(=O)N[C@H]1CC[NH2+]C1)n1cc[nH+]c1 ZINC000637810216 374343361 /nfs/dbraw/zinc/34/33/61/374343361.db2.gz BSPJONGSYNWFPF-NWDGAFQWSA-N 2 2 250.346 0.948 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[NH2+][C@H](C)C1)CC2 ZINC000637843021 374395257 /nfs/dbraw/zinc/39/52/57/374395257.db2.gz YYJGHSQVKHYKCB-ZYHUDNBSSA-N 2 2 262.357 0.574 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000637850304 374405620 /nfs/dbraw/zinc/40/56/20/374405620.db2.gz WQGWKORJTTUBOB-GXSJLCMTSA-N 2 2 250.346 0.846 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCCC23CC3)[C@@H](C[NH3+])C1 ZINC000637863306 374423877 /nfs/dbraw/zinc/42/38/77/374423877.db2.gz AGRCSGSOIVPFJW-RYUDHWBXSA-N 2 2 251.374 0.668 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2CCCC23CC3)[C@@H](C[NH3+])C1 ZINC000637863306 374423880 /nfs/dbraw/zinc/42/38/80/374423880.db2.gz AGRCSGSOIVPFJW-RYUDHWBXSA-N 2 2 251.374 0.668 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000334186419 206160412 /nfs/dbraw/zinc/16/04/12/206160412.db2.gz GJEQUKLMRWEOFO-NWDGAFQWSA-N 2 2 262.357 0.830 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000334186419 206160417 /nfs/dbraw/zinc/16/04/17/206160417.db2.gz GJEQUKLMRWEOFO-NWDGAFQWSA-N 2 2 262.357 0.830 20 0 CCADLP CC(C)(CNC(=O)CCC1C[NH2+]C1)[NH+]1CCOCC1 ZINC000638049122 374591715 /nfs/dbraw/zinc/59/17/15/374591715.db2.gz IBMBCMLLCGNJHO-UHFFFAOYSA-N 2 2 269.389 0.213 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)[C@@H]3OCC[C@@H]3[NH3+])cn2c1 ZINC000638076359 374631549 /nfs/dbraw/zinc/63/15/49/374631549.db2.gz KVVXVUDDVYPGEG-WCQYABFASA-N 2 2 274.324 0.375 20 0 CCADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000638071457 374622045 /nfs/dbraw/zinc/62/20/45/374622045.db2.gz DMIZFOLWHLDCHK-IUODEOHRSA-N 2 2 292.383 0.767 20 0 CCADLP CO[C@H](C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)[C@H]1CCOC1 ZINC000638090499 374651653 /nfs/dbraw/zinc/65/16/53/374651653.db2.gz XTVVGBLADYRKLY-IGQOVBAYSA-N 2 2 254.374 0.722 20 0 CCADLP CO[C@H](C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)[C@H]1CCOC1 ZINC000638090499 374651658 /nfs/dbraw/zinc/65/16/58/374651658.db2.gz XTVVGBLADYRKLY-IGQOVBAYSA-N 2 2 254.374 0.722 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@H](C)C[NH3+])CC2 ZINC000638141372 374710907 /nfs/dbraw/zinc/71/09/07/374710907.db2.gz JDUWBBDYJQEHCB-MWLCHTKSSA-N 2 2 250.346 0.465 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)[nH+]1 ZINC000638156127 374728382 /nfs/dbraw/zinc/72/83/82/374728382.db2.gz HAQSSPBATHCYNG-UWVGGRQHSA-N 2 2 250.346 0.710 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C)CC2 ZINC000638157248 374730997 /nfs/dbraw/zinc/73/09/97/374730997.db2.gz KRZOGNIZIQHEDW-WCFLWFBJSA-N 2 2 276.384 0.963 20 0 CCADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000638242389 374835122 /nfs/dbraw/zinc/83/51/22/374835122.db2.gz CVAYWJNFCSIPGR-QCBRBAQYSA-N 2 2 288.273 0.711 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@H](CC[NH3+])C(F)F)[nH+]1 ZINC000638260177 374856757 /nfs/dbraw/zinc/85/67/57/374856757.db2.gz WHRIXTWIVURLMD-MRVPVSSYSA-N 2 2 260.288 0.613 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)[nH+]1 ZINC000638339787 374941388 /nfs/dbraw/zinc/94/13/88/374941388.db2.gz DLNOCKSPELQDJZ-QWRGUYRKSA-N 2 2 264.373 0.958 20 0 CCADLP CCc1c[nH]c(CC(=O)NCC2([NH3+])CCCC2)[nH+]1 ZINC000638409866 375006941 /nfs/dbraw/zinc/00/69/41/375006941.db2.gz RCHDPJPQFGQITI-UHFFFAOYSA-N 2 2 250.346 0.902 20 0 CCADLP CC(C)CC[C@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000638413778 375012170 /nfs/dbraw/zinc/01/21/70/375012170.db2.gz FQJHDSLDMPNSPX-KBPBESRZSA-N 2 2 283.416 0.683 20 0 CCADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@H](C)c2[nH+]ccn2C)C1 ZINC000638432238 375031462 /nfs/dbraw/zinc/03/14/62/375031462.db2.gz YLRNCFKRASJRPE-GBIKHYSHSA-N 2 2 266.345 0.364 20 0 CCADLP C[C@@H]1CCC[C@@H](C)[NH+]1CCNCc1c[nH+]c(N)nc1N ZINC000638579536 375160184 /nfs/dbraw/zinc/16/01/84/375160184.db2.gz RWHPPUIMWXGVDR-GHMZBOCLSA-N 2 2 278.404 0.654 20 0 CCADLP O=C1C[C@@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)CCCN1 ZINC000638583004 375163365 /nfs/dbraw/zinc/16/33/65/375163365.db2.gz WNHPRKHFXJTVMB-STQMWFEESA-N 2 2 251.374 0.729 20 0 CCADLP O=C1C[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)CCCN1 ZINC000638583004 375163371 /nfs/dbraw/zinc/16/33/71/375163371.db2.gz WNHPRKHFXJTVMB-STQMWFEESA-N 2 2 251.374 0.729 20 0 CCADLP CO[C@@H](C[NH2+]C[C@H]1C[N@H+](C)CCN1C)CC(C)C ZINC000638597191 375177635 /nfs/dbraw/zinc/17/76/35/375177635.db2.gz VKJRERFKTPMETP-UONOGXRCSA-N 2 2 257.422 0.883 20 0 CCADLP CO[C@@H](C[NH2+]C[C@H]1C[N@@H+](C)CCN1C)CC(C)C ZINC000638597191 375177637 /nfs/dbraw/zinc/17/76/37/375177637.db2.gz VKJRERFKTPMETP-UONOGXRCSA-N 2 2 257.422 0.883 20 0 CCADLP CN(CCOCC[NH3+])C(=O)c1ccc2[nH+]ccn2c1 ZINC000638675743 375280799 /nfs/dbraw/zinc/28/07/99/375280799.db2.gz ZEJDWUNILYYVTE-UHFFFAOYSA-N 2 2 262.313 0.382 20 0 CCADLP [NH3+]CCCC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000638732760 375326719 /nfs/dbraw/zinc/32/67/19/375326719.db2.gz YTIMHIAPPKWMOR-AWEZNQCLSA-N 2 2 292.383 0.138 20 0 CCADLP [NH3+]CCCC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000638732760 375326724 /nfs/dbraw/zinc/32/67/24/375326724.db2.gz YTIMHIAPPKWMOR-AWEZNQCLSA-N 2 2 292.383 0.138 20 0 CCADLP C[C@H](C[NH2+]C1CC[NH+](CC(C)(C)O)CC1)S(C)(=O)=O ZINC000638805291 375376914 /nfs/dbraw/zinc/37/69/14/375376914.db2.gz HHASOOYOOSJJFJ-LLVKDONJSA-N 2 2 292.445 0.244 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1C[C@H]([NH3+])C[C@H]1C)CC2 ZINC000638929576 375465539 /nfs/dbraw/zinc/46/55/39/375465539.db2.gz GUUAQYHCRMHXNK-IJLUTSLNSA-N 2 2 262.357 0.702 20 0 CCADLP C[NH+]1CCC(n2cc(NC(=O)[C@H]3CSC[NH2+]3)cn2)CC1 ZINC000638976887 375492135 /nfs/dbraw/zinc/49/21/35/375492135.db2.gz GIXMZZCEZDJSTB-GFCCVEGCSA-N 2 2 295.412 0.751 20 0 CCADLP Cc1cc(N)cc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000638979642 375494314 /nfs/dbraw/zinc/49/43/14/375494314.db2.gz LHSPYTUDORVPKY-GFCCVEGCSA-N 2 2 250.346 0.795 20 0 CCADLP CC(C)([NH3+])C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000638989965 375503594 /nfs/dbraw/zinc/50/35/94/375503594.db2.gz HACHRYIUEDWBSN-UHFFFAOYSA-N 2 2 294.424 0.988 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639003660 375513251 /nfs/dbraw/zinc/51/32/51/375513251.db2.gz FGFNLDRPYDVPSO-ZDUSSCGKSA-N 2 2 291.399 0.161 20 0 CCADLP CO[C@H]1C[NH2+][C@](C)(C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000639017754 375522097 /nfs/dbraw/zinc/52/20/97/375522097.db2.gz YNVKKWSETMYRJR-SKDRFNHKSA-N 2 2 252.318 0.135 20 0 CCADLP CC[N@H+](CCO)CC[NH2+][C@@H](C)Cc1cnccn1 ZINC000639051874 375549685 /nfs/dbraw/zinc/54/96/85/375549685.db2.gz AJQLCPARDHSXTL-LBPRGKRZSA-N 2 2 252.362 0.311 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+][C@@H](C)Cc1cnccn1 ZINC000639051874 375549689 /nfs/dbraw/zinc/54/96/89/375549689.db2.gz AJQLCPARDHSXTL-LBPRGKRZSA-N 2 2 252.362 0.311 20 0 CCADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2ncnn2C)CCCO1 ZINC000639115289 375583146 /nfs/dbraw/zinc/58/31/46/375583146.db2.gz AOPYYEHBPPGITF-LBPRGKRZSA-N 2 2 267.377 0.406 20 0 CCADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ncnn2C)CCCO1 ZINC000639115289 375583150 /nfs/dbraw/zinc/58/31/50/375583150.db2.gz AOPYYEHBPPGITF-LBPRGKRZSA-N 2 2 267.377 0.406 20 0 CCADLP CO[C@@H](C[N@@H+]1CC[NH+]2CCC1CC2)[C@@H]1CCOC1 ZINC000639171421 375616820 /nfs/dbraw/zinc/61/68/20/375616820.db2.gz CCFSRWLMESCQFH-OCCSQVGLSA-N 2 2 254.374 0.818 20 0 CCADLP CO[C@@H](C[N@H+]1CC[NH+]2CCC1CC2)[C@@H]1CCOC1 ZINC000639171421 375616824 /nfs/dbraw/zinc/61/68/24/375616824.db2.gz CCFSRWLMESCQFH-OCCSQVGLSA-N 2 2 254.374 0.818 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cnc(N)nc1N ZINC000639179395 375620379 /nfs/dbraw/zinc/62/03/79/375620379.db2.gz SPTACUMTRHQMOG-MWLCHTKSSA-N 2 2 264.377 0.074 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cnc(N)nc1N ZINC000639179395 375620384 /nfs/dbraw/zinc/62/03/84/375620384.db2.gz SPTACUMTRHQMOG-MWLCHTKSSA-N 2 2 264.377 0.074 20 0 CCADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cnc(N)nc1N ZINC000639179395 375620391 /nfs/dbraw/zinc/62/03/91/375620391.db2.gz SPTACUMTRHQMOG-MWLCHTKSSA-N 2 2 264.377 0.074 20 0 CCADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cnc(N)nc1N ZINC000639179395 375620399 /nfs/dbraw/zinc/62/03/99/375620399.db2.gz SPTACUMTRHQMOG-MWLCHTKSSA-N 2 2 264.377 0.074 20 0 CCADLP CO[C@@]1(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)CCOC1 ZINC000639140816 375599729 /nfs/dbraw/zinc/59/97/29/375599729.db2.gz JGORFMIOMBMJCO-HZPDHXFCSA-N 2 2 298.427 0.836 20 0 CCADLP CO[C@@]1(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)CCOC1 ZINC000639140816 375599734 /nfs/dbraw/zinc/59/97/34/375599734.db2.gz JGORFMIOMBMJCO-HZPDHXFCSA-N 2 2 298.427 0.836 20 0 CCADLP Cc1ccc2[nH+]cc(CN3CC[N@@H+](C)C[C@@H]3CO)n2c1 ZINC000639335921 375735685 /nfs/dbraw/zinc/73/56/85/375735685.db2.gz BPIOSQAPEWQRJA-CQSZACIVSA-N 2 2 274.368 0.751 20 0 CCADLP Cc1ccc2[nH+]cc(CN3CC[N@H+](C)C[C@@H]3CO)n2c1 ZINC000639335921 375735688 /nfs/dbraw/zinc/73/56/88/375735688.db2.gz BPIOSQAPEWQRJA-CQSZACIVSA-N 2 2 274.368 0.751 20 0 CCADLP Cc1cc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)sn1 ZINC000639348231 375748682 /nfs/dbraw/zinc/74/86/82/375748682.db2.gz CZEKXVQCOZHQAV-LBPRGKRZSA-N 2 2 282.413 0.881 20 0 CCADLP Cc1cc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)sn1 ZINC000639348231 375748689 /nfs/dbraw/zinc/74/86/89/375748689.db2.gz CZEKXVQCOZHQAV-LBPRGKRZSA-N 2 2 282.413 0.881 20 0 CCADLP C[C@H](C[NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000261588486 190041249 /nfs/dbraw/zinc/04/12/49/190041249.db2.gz KFXVUTAJAKTSBZ-UKRRQHHQSA-N 2 2 291.395 0.598 20 0 CCADLP C[C@H](C[NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000261588486 190041250 /nfs/dbraw/zinc/04/12/50/190041250.db2.gz KFXVUTAJAKTSBZ-UKRRQHHQSA-N 2 2 291.395 0.598 20 0 CCADLP C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764596 375992688 /nfs/dbraw/zinc/99/26/88/375992688.db2.gz HKWNTXVAXXNFTA-BBRMVZONSA-N 2 2 297.443 0.822 20 0 CCADLP C[C@@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764596 375992695 /nfs/dbraw/zinc/99/26/95/375992695.db2.gz HKWNTXVAXXNFTA-BBRMVZONSA-N 2 2 297.443 0.822 20 0 CCADLP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764463 375992908 /nfs/dbraw/zinc/99/29/08/375992908.db2.gz VQIOGCBDBXIZIP-YDHLFZDLSA-N 2 2 285.432 0.678 20 0 CCADLP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764463 375992914 /nfs/dbraw/zinc/99/29/14/375992914.db2.gz VQIOGCBDBXIZIP-YDHLFZDLSA-N 2 2 285.432 0.678 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000639765895 375995681 /nfs/dbraw/zinc/99/56/81/375995681.db2.gz JFSFOBTVPLNOGE-HUUCEWRRSA-N 3 2 269.433 0.859 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000639765895 375995689 /nfs/dbraw/zinc/99/56/89/375995689.db2.gz JFSFOBTVPLNOGE-HUUCEWRRSA-N 3 2 269.433 0.859 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000639765895 375995693 /nfs/dbraw/zinc/99/56/93/375995693.db2.gz JFSFOBTVPLNOGE-HUUCEWRRSA-N 3 2 269.433 0.859 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000639765895 375995701 /nfs/dbraw/zinc/99/57/01/375995701.db2.gz JFSFOBTVPLNOGE-HUUCEWRRSA-N 3 2 269.433 0.859 20 0 CCADLP C[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)C1 ZINC000639765983 375995979 /nfs/dbraw/zinc/99/59/79/375995979.db2.gz MHURZZDZXILJIO-GOEBONIOSA-N 2 2 297.443 0.633 20 0 CCADLP C[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)C1 ZINC000639765983 375995986 /nfs/dbraw/zinc/99/59/86/375995986.db2.gz MHURZZDZXILJIO-GOEBONIOSA-N 2 2 297.443 0.633 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCOCC2CC2)C1 ZINC000639760507 375982784 /nfs/dbraw/zinc/98/27/84/375982784.db2.gz BEMFYFKBAJCGSN-AWEZNQCLSA-N 2 2 256.390 0.802 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCOCC2CC2)C1 ZINC000639760507 375982793 /nfs/dbraw/zinc/98/27/93/375982793.db2.gz BEMFYFKBAJCGSN-AWEZNQCLSA-N 2 2 256.390 0.802 20 0 CCADLP COc1cncc(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000639761740 375987550 /nfs/dbraw/zinc/98/75/50/375987550.db2.gz DPEAJTMNQIFYFB-HNNXBMFYSA-N 2 2 279.384 0.979 20 0 CCADLP COc1cncc(C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000639761740 375987556 /nfs/dbraw/zinc/98/75/56/375987556.db2.gz DPEAJTMNQIFYFB-HNNXBMFYSA-N 2 2 279.384 0.979 20 0 CCADLP Cn1ccc(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)cc1=O ZINC000639762563 375991248 /nfs/dbraw/zinc/99/12/48/375991248.db2.gz NLMBVDWSTTUFGC-OAHLLOKOSA-N 2 2 279.384 0.274 20 0 CCADLP Cn1ccc(C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)cc1=O ZINC000639762563 375991256 /nfs/dbraw/zinc/99/12/56/375991256.db2.gz NLMBVDWSTTUFGC-OAHLLOKOSA-N 2 2 279.384 0.274 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000071276095 284557699 /nfs/dbraw/zinc/55/76/99/284557699.db2.gz RKLGDCSXZIOCEX-AWEZNQCLSA-N 2 2 270.336 0.923 20 0 CCADLP C[NH2+]CCC(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000262028673 190047356 /nfs/dbraw/zinc/04/73/56/190047356.db2.gz BFIPKTRCTMCWMV-UHFFFAOYSA-N 2 2 293.415 0.291 20 0 CCADLP CC(C)(C[NH3+])NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000262548704 190057356 /nfs/dbraw/zinc/05/73/56/190057356.db2.gz OPYSKICRYBXOOZ-AWEZNQCLSA-N 2 2 291.395 0.741 20 0 CCADLP CC(C)(C[NH3+])NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000262548704 190057357 /nfs/dbraw/zinc/05/73/57/190057357.db2.gz OPYSKICRYBXOOZ-AWEZNQCLSA-N 2 2 291.395 0.741 20 0 CCADLP O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000640320028 376307949 /nfs/dbraw/zinc/30/79/49/376307949.db2.gz JJRDSWGMQGBMHR-CHWSQXEVSA-N 2 2 292.383 0.018 20 0 CCADLP C[NH+](C)C1(C(=O)N[C@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)CC1 ZINC000640509819 376408568 /nfs/dbraw/zinc/40/85/68/376408568.db2.gz BWKCPGQOLODGAY-QWHCGFSZSA-N 2 2 295.427 0.696 20 0 CCADLP CC[NH+]1CCN(CCC(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000263655742 190072341 /nfs/dbraw/zinc/07/23/41/190072341.db2.gz HEEKXUXGUHKRPV-AWEZNQCLSA-N 2 2 293.415 0.415 20 0 CCADLP CCN1CC[NH+](CCC(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000263655742 190072342 /nfs/dbraw/zinc/07/23/42/190072342.db2.gz HEEKXUXGUHKRPV-AWEZNQCLSA-N 2 2 293.415 0.415 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)NCC[NH+]1CCOCC1 ZINC000569085099 291647498 /nfs/dbraw/zinc/64/74/98/291647498.db2.gz SOFKMETZVMJKPN-UHFFFAOYSA-N 2 2 272.393 0.006 20 0 CCADLP c1c(C[NH+]2CCCCC2)nnn1CC[NH+]1CCOCC1 ZINC000641032424 376688867 /nfs/dbraw/zinc/68/88/67/376688867.db2.gz ABGCYSGBNUCUTJ-UHFFFAOYSA-N 2 2 279.388 0.596 20 0 CCADLP COCC[C@H]([NH3+])Cc1cn(Cc2c[nH+]ccc2C)nn1 ZINC000641070706 376740023 /nfs/dbraw/zinc/74/00/23/376740023.db2.gz KJAWDIAAPONIGX-ZDUSSCGKSA-N 2 2 275.356 0.936 20 0 CCADLP COCC[NH2+]CCc1cn(Cc2c[nH+]ccc2C)nn1 ZINC000641071260 376740251 /nfs/dbraw/zinc/74/02/51/376740251.db2.gz YHDONSHJRQQKCX-UHFFFAOYSA-N 2 2 275.356 0.808 20 0 CCADLP C[NH+]1CCN(Cc2cn(Cc3ccc[nH+]c3N)nn2)CC1 ZINC000641166458 376834969 /nfs/dbraw/zinc/83/49/69/376834969.db2.gz SFXGRKKHTMMEMM-UHFFFAOYSA-N 2 2 287.371 0.051 20 0 CCADLP O=S(=O)(CCn1cc[nH+]c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000641295043 376973727 /nfs/dbraw/zinc/97/37/27/376973727.db2.gz MZKMGVYEWGDDMK-LLVKDONJSA-N 2 2 284.385 0.039 20 0 CCADLP O=S(=O)(CCn1cc[nH+]c1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000641295043 376973734 /nfs/dbraw/zinc/97/37/34/376973734.db2.gz MZKMGVYEWGDDMK-LLVKDONJSA-N 2 2 284.385 0.039 20 0 CCADLP O=S(=O)(CCn1cc[nH+]c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000641295044 376974919 /nfs/dbraw/zinc/97/49/19/376974919.db2.gz MZKMGVYEWGDDMK-NSHDSACASA-N 2 2 284.385 0.039 20 0 CCADLP O=S(=O)(CCn1cc[nH+]c1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000641295044 376974927 /nfs/dbraw/zinc/97/49/27/376974927.db2.gz MZKMGVYEWGDDMK-NSHDSACASA-N 2 2 284.385 0.039 20 0 CCADLP O=S(=O)(CCn1cc[nH+]c1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000641323745 376995515 /nfs/dbraw/zinc/99/55/15/376995515.db2.gz OHHIQAIPQHHGFL-CYBMUJFWSA-N 2 2 298.412 0.287 20 0 CCADLP O=S(=O)(CCn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000641323745 376995528 /nfs/dbraw/zinc/99/55/28/376995528.db2.gz OHHIQAIPQHHGFL-CYBMUJFWSA-N 2 2 298.412 0.287 20 0 CCADLP CC[NH+]1CCN(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC000264915008 190144059 /nfs/dbraw/zinc/14/40/59/190144059.db2.gz IJXJUFOTNAPDKC-UHFFFAOYSA-N 2 2 279.388 0.027 20 0 CCADLP C[NH+](C)C1CC([NH2+]Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000641764745 377451298 /nfs/dbraw/zinc/45/12/98/377451298.db2.gz LUPSGTBWQUYJCN-UHFFFAOYSA-N 2 2 283.397 0.516 20 0 CCADLP Nc1cnccc1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000641710220 377409537 /nfs/dbraw/zinc/40/95/37/377409537.db2.gz ONXYZPNJRZFIBD-LBPRGKRZSA-N 2 2 250.346 0.210 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)NCc1c[nH+]cn1C ZINC000641772297 377455901 /nfs/dbraw/zinc/45/59/01/377455901.db2.gz OJEADVNKSAESPQ-LBPRGKRZSA-N 2 2 254.378 0.603 20 0 CCADLP COc1cc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)on1 ZINC000641797341 377465970 /nfs/dbraw/zinc/46/59/70/377465970.db2.gz AOMKDWVKLMZTEZ-NSHDSACASA-N 2 2 266.345 0.163 20 0 CCADLP COc1cc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)on1 ZINC000641798575 377469128 /nfs/dbraw/zinc/46/91/28/377469128.db2.gz OAQKKGKHHJMABG-LLVKDONJSA-N 2 2 294.355 0.079 20 0 CCADLP COc1cc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)on1 ZINC000641798575 377469133 /nfs/dbraw/zinc/46/91/33/377469133.db2.gz OAQKKGKHHJMABG-LLVKDONJSA-N 2 2 294.355 0.079 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000641802501 377473323 /nfs/dbraw/zinc/47/33/23/377473323.db2.gz LXZDBTWJTHLMGM-RWMBFGLXSA-N 3 2 282.432 0.254 20 0 CCADLP CC[C@@H](C)NC(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000569408064 291676328 /nfs/dbraw/zinc/67/63/28/291676328.db2.gz DXXVXHPTINSICF-LLVKDONJSA-N 2 2 265.361 0.446 20 0 CCADLP CO[C@@H]1CC[C@H]([NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000516050327 249149547 /nfs/dbraw/zinc/14/95/47/249149547.db2.gz SLPIEKKCTKDHHX-NIFZNCRKSA-N 2 2 286.416 0.614 20 0 CCADLP C[C@@H](C(=O)NC[C@H]1CCc2[nH+]ccn2C1)[NH+]1CC(C)C1 ZINC000516980583 249196325 /nfs/dbraw/zinc/19/63/25/249196325.db2.gz ZVGONPJZUOJNKZ-QWHCGFSZSA-N 2 2 276.384 0.902 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCc2cccc(O)c2)[C@H](C[NH3+])C1 ZINC000517019296 249198170 /nfs/dbraw/zinc/19/81/70/249198170.db2.gz OZQHTBPEIUETEL-CYBMUJFWSA-N 2 2 292.383 0.219 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCc2cccc(O)c2)[C@H](C[NH3+])C1 ZINC000517019296 249198171 /nfs/dbraw/zinc/19/81/71/249198171.db2.gz OZQHTBPEIUETEL-CYBMUJFWSA-N 2 2 292.383 0.219 20 0 CCADLP Cc1cnc([C@H](C)[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)s1 ZINC000517435261 249219420 /nfs/dbraw/zinc/21/94/20/249219420.db2.gz AAIISUAWIGGJIN-STQMWFEESA-N 2 2 298.456 0.710 20 0 CCADLP C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)nn1)C[NH+](C)C ZINC000517906541 249233512 /nfs/dbraw/zinc/23/35/12/249233512.db2.gz BOCKFBBRNPPWHN-LLVKDONJSA-N 2 2 288.355 0.590 20 0 CCADLP C[C@@H]1C[NH2+][C@@H](C)CN1c1cc(-n2cc[nH+]c2)ncn1 ZINC000643023131 377691989 /nfs/dbraw/zinc/69/19/89/377691989.db2.gz UERRYHOSSMDZJU-WDEREUQCSA-N 2 2 258.329 0.849 20 0 CCADLP CCCCS(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000657071871 412883026 /nfs/dbraw/zinc/88/30/26/412883026.db2.gz WIKIWJIJCCNHJL-ZDUSSCGKSA-N 2 2 293.477 0.978 20 0 CCADLP CCCCS(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000657071871 412883028 /nfs/dbraw/zinc/88/30/28/412883028.db2.gz WIKIWJIJCCNHJL-ZDUSSCGKSA-N 2 2 293.477 0.978 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CC(C)C2)CC1 ZINC000569823748 291711826 /nfs/dbraw/zinc/71/18/26/291711826.db2.gz NSLFAZMISOWDMO-AWEZNQCLSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@H]([NH2+]C1CC[NH+](CC(=O)N(C)C)CC1)c1ccnn1C ZINC000278719972 194120491 /nfs/dbraw/zinc/12/04/91/194120491.db2.gz MFMIUJWTCBVPJR-LBPRGKRZSA-N 2 2 293.415 0.623 20 0 CCADLP Cn1nccc1CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000278708758 194115107 /nfs/dbraw/zinc/11/51/07/194115107.db2.gz WMXUIZHCWGYEDA-UHFFFAOYSA-N 2 2 293.415 0.105 20 0 CCADLP CC1CC[NH+](CC(=O)NCCc2cn(C)c[nH+]2)CC1 ZINC000570051993 291729981 /nfs/dbraw/zinc/72/99/81/291729981.db2.gz QPJIMWCJGJKVNI-UHFFFAOYSA-N 2 2 264.373 0.811 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+](CC2CC2)CC1)[NH+]1CCSCC1 ZINC000131300890 284802104 /nfs/dbraw/zinc/80/21/04/284802104.db2.gz LEDHYERSOGGZHJ-ZDUSSCGKSA-N 2 2 297.468 0.978 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000279020148 194252595 /nfs/dbraw/zinc/25/25/95/194252595.db2.gz ONYSVHOYXVEHKI-VIFPVBQESA-N 2 2 274.328 0.448 20 0 CCADLP COC(=O)CC[C@H]([NH3+])C(=O)Nc1cc[nH+]c(C)c1 ZINC000288820649 197172228 /nfs/dbraw/zinc/17/22/28/197172228.db2.gz UFQIIVPCVRRELK-JTQLQIEISA-N 2 2 251.286 0.609 20 0 CCADLP C[C@H]1CN(C(=O)NCCc2cn3ccccc3[nH+]2)CC[NH2+]1 ZINC000334889645 207250509 /nfs/dbraw/zinc/25/05/09/207250509.db2.gz FVUZRAVOGGWRTI-LBPRGKRZSA-N 2 2 287.367 0.880 20 0 CCADLP CC(C)NC(=O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657294979 412954452 /nfs/dbraw/zinc/95/44/52/412954452.db2.gz YYONZLVFJZMNOB-UHFFFAOYSA-N 2 2 273.340 0.882 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CCCN(C)S(C)(=O)=O)n1C ZINC000657308245 412957087 /nfs/dbraw/zinc/95/70/87/412957087.db2.gz NSZBMRMJJCNPAN-UHFFFAOYSA-N 2 2 274.390 0.100 20 0 CCADLP COc1ccccc1[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000449570661 532974474 /nfs/dbraw/zinc/97/44/74/532974474.db2.gz IESMWHWTTLUMDG-UKRRQHHQSA-N 2 2 295.358 0.855 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246221689 285010770 /nfs/dbraw/zinc/01/07/70/285010770.db2.gz BINYDAWHUFXAMD-SDDRHHMPSA-N 2 2 284.404 0.635 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246221689 285010771 /nfs/dbraw/zinc/01/07/71/285010771.db2.gz BINYDAWHUFXAMD-SDDRHHMPSA-N 2 2 284.404 0.635 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246221689 285010775 /nfs/dbraw/zinc/01/07/75/285010775.db2.gz BINYDAWHUFXAMD-SDDRHHMPSA-N 2 2 284.404 0.635 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246221689 285010779 /nfs/dbraw/zinc/01/07/79/285010779.db2.gz BINYDAWHUFXAMD-SDDRHHMPSA-N 2 2 284.404 0.635 20 0 CCADLP C[NH2+][C@H](C)CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000418621133 532985344 /nfs/dbraw/zinc/98/53/44/532985344.db2.gz SIDDXLIKXCXQHQ-DGCLKSJQSA-N 2 2 278.356 0.852 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC[C@@H]2CCCO2)[C@@H](C)C1 ZINC000246944045 285038061 /nfs/dbraw/zinc/03/80/61/285038061.db2.gz UGOGBDQIEWNFAP-KKUMJFAQSA-N 2 2 297.443 0.944 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC[C@@H]2CCCO2)[C@@H](C)C1 ZINC000246944045 285038062 /nfs/dbraw/zinc/03/80/62/285038062.db2.gz UGOGBDQIEWNFAP-KKUMJFAQSA-N 2 2 297.443 0.944 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC[C@@H]2CCCO2)[C@@H](C)C1 ZINC000246944045 285038064 /nfs/dbraw/zinc/03/80/64/285038064.db2.gz UGOGBDQIEWNFAP-KKUMJFAQSA-N 2 2 297.443 0.944 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC[C@@H]2CCCO2)[C@@H](C)C1 ZINC000246944045 285038066 /nfs/dbraw/zinc/03/80/66/285038066.db2.gz UGOGBDQIEWNFAP-KKUMJFAQSA-N 2 2 297.443 0.944 20 0 CCADLP O=S(=O)(NCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000359284858 285041431 /nfs/dbraw/zinc/04/14/31/285041431.db2.gz VGGDBPVIEHLOAE-BETUJISGSA-N 2 2 295.408 0.116 20 0 CCADLP O=S(=O)(NCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000359284858 285041435 /nfs/dbraw/zinc/04/14/35/285041435.db2.gz VGGDBPVIEHLOAE-BETUJISGSA-N 2 2 295.408 0.116 20 0 CCADLP C[C@H]([NH2+]C[C@H]1CC[C@H](C(=O)N(C)C)O1)[C@H]1CCC[NH2+]1 ZINC000571872454 291842502 /nfs/dbraw/zinc/84/25/02/291842502.db2.gz CKYOSVOZIYQEGS-UMSGYPCISA-N 2 2 269.389 0.352 20 0 CCADLP O=C(N[C@@H]1CC[NH2+]C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000335258906 208043724 /nfs/dbraw/zinc/04/37/24/208043724.db2.gz PMJJDEFEODBXAW-GFCCVEGCSA-N 2 2 294.424 0.937 20 0 CCADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)[C@@H]1CCCC[NH2+]1 ZINC000335283775 208099547 /nfs/dbraw/zinc/09/95/47/208099547.db2.gz SYPKWMJSWYVIPW-ZJUUUORDSA-N 2 2 261.316 0.490 20 0 CCADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000571911294 291846128 /nfs/dbraw/zinc/84/61/28/291846128.db2.gz AUNNZIYVLNVCOC-PWSUYJOCSA-N 2 2 258.325 0.949 20 0 CCADLP COCCOC[C@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657380092 412978375 /nfs/dbraw/zinc/97/83/75/412978375.db2.gz GSDHSCFYORGWJI-NSHDSACASA-N 2 2 253.346 0.970 20 0 CCADLP CNC(=O)[C@H](CC(C)C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000657419461 412983775 /nfs/dbraw/zinc/98/37/75/412983775.db2.gz SDKKGSZUOQNXRN-LBPRGKRZSA-N 2 2 252.362 0.979 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000418216199 533075999 /nfs/dbraw/zinc/07/59/99/533075999.db2.gz NWIAUUOSGCEERS-WDEREUQCSA-N 2 2 278.356 0.982 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)CC[NH+]2CCOC[C@H]2C)C[C@H](C)O1 ZINC000249582898 285129404 /nfs/dbraw/zinc/12/94/04/285129404.db2.gz NSQHHIFNJSEDRD-OAGGEKHMSA-N 2 2 299.459 0.748 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)CC[NH+]2CCOC[C@H]2C)C[C@H](C)O1 ZINC000249582898 285129408 /nfs/dbraw/zinc/12/94/08/285129408.db2.gz NSQHHIFNJSEDRD-OAGGEKHMSA-N 2 2 299.459 0.748 20 0 CCADLP C[C@@H]1C[NH+](CCN(C)CC[N@@H+]2CCOC[C@H]2C)C[C@H](C)O1 ZINC000249582898 285129414 /nfs/dbraw/zinc/12/94/14/285129414.db2.gz NSQHHIFNJSEDRD-OAGGEKHMSA-N 2 2 299.459 0.748 20 0 CCADLP C[C@@H]1C[NH+](CCN(C)CC[N@H+]2CCOC[C@H]2C)C[C@H](C)O1 ZINC000249582898 285129418 /nfs/dbraw/zinc/12/94/18/285129418.db2.gz NSQHHIFNJSEDRD-OAGGEKHMSA-N 2 2 299.459 0.748 20 0 CCADLP [NH3+][C@H](C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1c(F)cccc1F ZINC000572362456 291874325 /nfs/dbraw/zinc/87/43/25/291874325.db2.gz LZWWEZUDQCBLAV-LUROTQLBSA-N 2 2 267.279 0.299 20 0 CCADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1cc(F)ccc1F ZINC000258851292 285152986 /nfs/dbraw/zinc/15/29/86/285152986.db2.gz GBTGPGRKMRFPOS-LBPRGKRZSA-N 2 2 255.312 0.958 20 0 CCADLP O=C(COC1CC[NH2+]CC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000572397606 291876863 /nfs/dbraw/zinc/87/68/63/291876863.db2.gz FQBADMWMCPFIHD-LBPRGKRZSA-N 2 2 292.383 0.884 20 0 CCADLP OC[C@H](C[NH2+]Cc1c[nH+]c2n1CCC2)[C@@H]1CCOC1 ZINC000657454766 412996314 /nfs/dbraw/zinc/99/63/14/412996314.db2.gz PCGOBPAHAIDORB-NEPJUHHUSA-N 2 2 265.357 0.564 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+](C(C)C)C2COC2)CC1 ZINC000451118525 285188037 /nfs/dbraw/zinc/18/80/37/285188037.db2.gz AIPKOAMMAOEBQU-UHFFFAOYSA-N 2 2 283.416 0.696 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C(C)C)C2COC2)CC1 ZINC000451118525 285188040 /nfs/dbraw/zinc/18/80/40/285188040.db2.gz AIPKOAMMAOEBQU-UHFFFAOYSA-N 2 2 283.416 0.696 20 0 CCADLP COCC[C@]1([NH2+]Cc2c[nH+]c(N(C)C)n2C)CCOC1 ZINC000419730822 285185802 /nfs/dbraw/zinc/18/58/02/285185802.db2.gz QPGSHXQNVVZXJG-AWEZNQCLSA-N 2 2 282.388 0.771 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CCc1[nH]cc[nH+]1 ZINC000288372383 197061472 /nfs/dbraw/zinc/06/14/72/197061472.db2.gz XEMNCRVUFOVNFF-LBPRGKRZSA-N 2 2 280.372 0.521 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](c2c[nH+]cn2C)N(C)C)CC1 ZINC000281283979 195180227 /nfs/dbraw/zinc/18/02/27/195180227.db2.gz XFWBSHWCKPNDMV-ZDUSSCGKSA-N 2 2 279.388 0.187 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@]2(OCCO)CCOC2)C[N@@H+]1C1CC1 ZINC000657598997 413029594 /nfs/dbraw/zinc/02/95/94/413029594.db2.gz XXYHIKJQPKKMSV-VNHYZAJKSA-N 2 2 284.400 0.369 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@]2(OCCO)CCOC2)C[N@H+]1C1CC1 ZINC000657598997 413029601 /nfs/dbraw/zinc/02/96/01/413029601.db2.gz XXYHIKJQPKKMSV-VNHYZAJKSA-N 2 2 284.400 0.369 20 0 CCADLP CN(C(=O)NCc1[nH+]ccn1C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000524262419 285311157 /nfs/dbraw/zinc/31/11/57/285311157.db2.gz VYUDDRKLHYQEJF-LBPRGKRZSA-N 2 2 277.372 0.798 20 0 CCADLP CN(C(=O)NCc1[nH+]ccn1C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000524262419 285311160 /nfs/dbraw/zinc/31/11/60/285311160.db2.gz VYUDDRKLHYQEJF-LBPRGKRZSA-N 2 2 277.372 0.798 20 0 CCADLP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC([NH3+])CC2)C1 ZINC000036754736 388843503 /nfs/dbraw/zinc/84/35/03/388843503.db2.gz LDTZOTZSFBSUNC-TXEJJXNPSA-N 2 2 253.390 0.914 20 0 CCADLP c1cn(CC[NH+]2CCC(Cn3cncn3)CC2)c[nH+]1 ZINC000186241034 388830170 /nfs/dbraw/zinc/83/01/70/388830170.db2.gz RMSCCNJBBSQXQV-UHFFFAOYSA-N 2 2 260.345 0.887 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2c2cc[nH]n2)CC1 ZINC000286083451 388833537 /nfs/dbraw/zinc/83/35/37/388833537.db2.gz KFFDTXOGJOASKZ-CQSZACIVSA-N 2 2 291.399 0.711 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]2c2cc[nH]n2)CC1 ZINC000286083451 388833543 /nfs/dbraw/zinc/83/35/43/388833543.db2.gz KFFDTXOGJOASKZ-CQSZACIVSA-N 2 2 291.399 0.711 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000040805273 388855616 /nfs/dbraw/zinc/85/56/16/388855616.db2.gz DCERVFUXAVPGKM-CQSZACIVSA-N 2 2 271.405 0.731 20 0 CCADLP C[C@@H]([NH3+])C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000040855868 388858480 /nfs/dbraw/zinc/85/84/80/388858480.db2.gz JSFHHHBBUYNXJM-ZYHUDNBSSA-N 2 2 258.325 0.973 20 0 CCADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cccc(S(N)(=O)=O)c1 ZINC000041064094 388860681 /nfs/dbraw/zinc/86/06/81/388860681.db2.gz IHMUYBBYRCRVOA-LLVKDONJSA-N 2 2 294.380 0.881 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000186701694 388848046 /nfs/dbraw/zinc/84/80/46/388848046.db2.gz IKXGVNPPXBNDFW-DGCLKSJQSA-N 2 2 272.352 0.991 20 0 CCADLP [NH3+]Cc1cc(C(=O)N2CC[NH+](CC3CC3)CC2)co1 ZINC000188096378 388913187 /nfs/dbraw/zinc/91/31/87/388913187.db2.gz IALYFVAZFDLAQI-UHFFFAOYSA-N 2 2 263.341 0.906 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCCC[C@H]2O)n1C ZINC000070144089 388954919 /nfs/dbraw/zinc/95/49/19/388954919.db2.gz HQKKNFJEMSDTEU-VXGBXAGGSA-N 2 2 252.362 0.879 20 0 CCADLP CN(CC[NH+](C)C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000354500731 389027068 /nfs/dbraw/zinc/02/70/68/389027068.db2.gz SKCLBFFAYDTTPG-CQSZACIVSA-N 2 2 283.416 0.650 20 0 CCADLP CN(CC[NH+](C)C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000354500731 389027074 /nfs/dbraw/zinc/02/70/74/389027074.db2.gz SKCLBFFAYDTTPG-CQSZACIVSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[NH+](CC(C)(C)O)C[C@H]2C)CCO1 ZINC000192838697 389056013 /nfs/dbraw/zinc/05/60/13/389056013.db2.gz QWQFGNITUCPINM-HUUCEWRRSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](CC(C)(C)O)C[C@H]2C)CCO1 ZINC000192838697 389056019 /nfs/dbraw/zinc/05/60/19/389056019.db2.gz QWQFGNITUCPINM-HUUCEWRRSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[N@H+](CC(C)(C)O)C[C@H]2C)CCO1 ZINC000192838697 389056023 /nfs/dbraw/zinc/05/60/23/389056023.db2.gz QWQFGNITUCPINM-HUUCEWRRSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CCO1 ZINC000192838697 389056028 /nfs/dbraw/zinc/05/60/28/389056028.db2.gz QWQFGNITUCPINM-HUUCEWRRSA-N 2 2 299.459 0.484 20 0 CCADLP CC(C)[C@H]1CN(CC[N@@H+]2CCOC[C@@H]2C)CC[NH+]1C ZINC000337233739 389057244 /nfs/dbraw/zinc/05/72/44/389057244.db2.gz KOJORXCRJLCYNF-LSDHHAIUSA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@H]1CN(CC[N@H+]2CCOC[C@@H]2C)CC[NH+]1C ZINC000337233739 389057246 /nfs/dbraw/zinc/05/72/46/389057246.db2.gz KOJORXCRJLCYNF-LSDHHAIUSA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@H]1CN(CC[NH+]2CCOC[C@@H]2C)CC[N@@H+]1C ZINC000337233739 389057250 /nfs/dbraw/zinc/05/72/50/389057250.db2.gz KOJORXCRJLCYNF-LSDHHAIUSA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@H]1CN(CC[NH+]2CCOC[C@@H]2C)CC[N@H+]1C ZINC000337233739 389057252 /nfs/dbraw/zinc/05/72/52/389057252.db2.gz KOJORXCRJLCYNF-LSDHHAIUSA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)OC[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000337324282 389058814 /nfs/dbraw/zinc/05/88/14/389058814.db2.gz BAJIFGBSYJSYTM-STQMWFEESA-N 2 2 271.405 0.729 20 0 CCADLP CC(C)OC[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000337324282 389058816 /nfs/dbraw/zinc/05/88/16/389058816.db2.gz BAJIFGBSYJSYTM-STQMWFEESA-N 2 2 271.405 0.729 20 0 CCADLP CCn1ncnc1C[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000193340194 389066771 /nfs/dbraw/zinc/06/67/71/389066771.db2.gz ZBZDHJWMKULLEN-CQSZACIVSA-N 2 2 292.431 0.510 20 0 CCADLP CCn1ncnc1C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000193340194 389066772 /nfs/dbraw/zinc/06/67/72/389066772.db2.gz ZBZDHJWMKULLEN-CQSZACIVSA-N 2 2 292.431 0.510 20 0 CCADLP CN(CC[N@@H+](C)C1CC1)c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000302250343 389067099 /nfs/dbraw/zinc/06/70/99/389067099.db2.gz MQDJXPYSPASLLD-UHFFFAOYSA-N 2 2 287.371 0.775 20 0 CCADLP C[NH+](C)C(C)(C)CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338134067 389077927 /nfs/dbraw/zinc/07/79/27/389077927.db2.gz AHWWAFWSUAWFDV-UHFFFAOYSA-N 2 2 271.405 0.554 20 0 CCADLP Cc1ncc(C[NH+]2CCN(C(=O)C[NH+](C)C)CC2)s1 ZINC000193840818 389081095 /nfs/dbraw/zinc/08/10/95/389081095.db2.gz DEZWIZLRIVDFPD-UHFFFAOYSA-N 2 2 282.413 0.657 20 0 CCADLP CC(C)(C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000338164003 389082118 /nfs/dbraw/zinc/08/21/18/389082118.db2.gz DYLXJDVHDKHZDX-ZDUSSCGKSA-N 2 2 295.427 0.698 20 0 CCADLP CC(C)(C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000338164003 389082122 /nfs/dbraw/zinc/08/21/22/389082122.db2.gz DYLXJDVHDKHZDX-ZDUSSCGKSA-N 2 2 295.427 0.698 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000104598520 389083820 /nfs/dbraw/zinc/08/38/20/389083820.db2.gz SDVNMYQCRASZRE-QWHCGFSZSA-N 2 2 271.405 0.554 20 0 CCADLP C[C@H]1CCCN(C(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000107576122 389096782 /nfs/dbraw/zinc/09/67/82/389096782.db2.gz RLEMKRXVTXOPFO-RWMBFGLXSA-N 2 2 251.374 0.396 20 0 CCADLP C[C@H]1CCCN(C(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000107576122 389096784 /nfs/dbraw/zinc/09/67/84/389096784.db2.gz RLEMKRXVTXOPFO-RWMBFGLXSA-N 2 2 251.374 0.396 20 0 CCADLP CCOC(=O)[C@H](C)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338273458 389102586 /nfs/dbraw/zinc/10/25/86/389102586.db2.gz CTOBXLMCIVIJSF-LBPRGKRZSA-N 2 2 285.388 0.034 20 0 CCADLP CCOC(=O)[C@H](C)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338273458 389102591 /nfs/dbraw/zinc/10/25/91/389102591.db2.gz CTOBXLMCIVIJSF-LBPRGKRZSA-N 2 2 285.388 0.034 20 0 CCADLP COc1cc[nH+]cc1Cn1cc(CN(C)CCC[NH3+])nn1 ZINC000327981567 389127065 /nfs/dbraw/zinc/12/70/65/389127065.db2.gz IVSLBSRXRVDNDC-UHFFFAOYSA-N 2 2 290.371 0.511 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339437368 389133139 /nfs/dbraw/zinc/13/31/39/389133139.db2.gz PBWGOSXJJPILSG-GDBMZVCRSA-N 2 2 297.443 0.945 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339437368 389133145 /nfs/dbraw/zinc/13/31/45/389133145.db2.gz PBWGOSXJJPILSG-GDBMZVCRSA-N 2 2 297.443 0.945 20 0 CCADLP COCCCNC(=O)[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339437368 389133149 /nfs/dbraw/zinc/13/31/49/389133149.db2.gz PBWGOSXJJPILSG-GDBMZVCRSA-N 2 2 297.443 0.945 20 0 CCADLP COCCCNC(=O)[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339437368 389133150 /nfs/dbraw/zinc/13/31/50/389133150.db2.gz PBWGOSXJJPILSG-GDBMZVCRSA-N 2 2 297.443 0.945 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222063683 389140794 /nfs/dbraw/zinc/14/07/94/389140794.db2.gz VDIVJHMZXKEWCY-SRVKXCTJSA-N 2 2 262.419 0.882 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)[C@@H](C)C1 ZINC000358034623 389141433 /nfs/dbraw/zinc/14/14/33/389141433.db2.gz HLDYYADDBWLKCP-XQQFMLRXSA-N 2 2 289.445 0.340 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)[C@@H](C)C1 ZINC000358034623 389141434 /nfs/dbraw/zinc/14/14/34/389141434.db2.gz HLDYYADDBWLKCP-XQQFMLRXSA-N 2 2 289.445 0.340 20 0 CCADLP CC[N@H+](C)CCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000129056148 389181921 /nfs/dbraw/zinc/18/19/21/389181921.db2.gz WJMIRYTZYGMRRH-ZDUSSCGKSA-N 2 2 291.399 0.911 20 0 CCADLP CC[N@@H+](C)CCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000129056148 389181923 /nfs/dbraw/zinc/18/19/23/389181923.db2.gz WJMIRYTZYGMRRH-ZDUSSCGKSA-N 2 2 291.399 0.911 20 0 CCADLP COCC[N@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)C[C@@H]1C ZINC000360028518 389188057 /nfs/dbraw/zinc/18/80/57/389188057.db2.gz FYQFDVFKBALNPH-UONOGXRCSA-N 3 2 257.422 0.885 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)C[C@@H]1C ZINC000360028518 389188059 /nfs/dbraw/zinc/18/80/59/389188059.db2.gz FYQFDVFKBALNPH-UONOGXRCSA-N 3 2 257.422 0.885 20 0 CCADLP COCC[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000360028518 389188060 /nfs/dbraw/zinc/18/80/60/389188060.db2.gz FYQFDVFKBALNPH-UONOGXRCSA-N 3 2 257.422 0.885 20 0 CCADLP COCC[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000360028518 389188063 /nfs/dbraw/zinc/18/80/63/389188063.db2.gz FYQFDVFKBALNPH-UONOGXRCSA-N 3 2 257.422 0.885 20 0 CCADLP O=C(C[NH2+]C[C@H]1CCCO1)N1CC[NH+](C2CC2)CC1 ZINC000237924002 389197361 /nfs/dbraw/zinc/19/73/61/389197361.db2.gz MLWYADCRCHNVNX-CYBMUJFWSA-N 2 2 267.373 0.062 20 0 CCADLP COCc1ccc(CNC(=O)C[NH2+]CC2([NH3+])CCC2)cc1 ZINC000342169787 389199738 /nfs/dbraw/zinc/19/97/38/389199738.db2.gz QFSPSYHEWOFGGB-UHFFFAOYSA-N 2 2 291.395 0.920 20 0 CCADLP C[C@H]1C[C@@H]([NH+](C)CC(=O)NC(=O)NC2CC2)CC[N@@H+]1C ZINC000123712500 389157268 /nfs/dbraw/zinc/15/72/68/389157268.db2.gz LOWACABYJMCIRL-JQWIXIFHSA-N 2 2 282.388 0.389 20 0 CCADLP C[C@H]1C[C@@H]([NH+](C)CC(=O)NC(=O)NC2CC2)CC[N@H+]1C ZINC000123712500 389157270 /nfs/dbraw/zinc/15/72/70/389157270.db2.gz LOWACABYJMCIRL-JQWIXIFHSA-N 2 2 282.388 0.389 20 0 CCADLP C[C@H]1C[C@@H]([N@H+](C)CC(=O)NC(=O)NC2CC2)CC[NH+]1C ZINC000123712500 389157272 /nfs/dbraw/zinc/15/72/72/389157272.db2.gz LOWACABYJMCIRL-JQWIXIFHSA-N 2 2 282.388 0.389 20 0 CCADLP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)NC(=O)NC2CC2)CC[NH+]1C ZINC000123712500 389157273 /nfs/dbraw/zinc/15/72/73/389157273.db2.gz LOWACABYJMCIRL-JQWIXIFHSA-N 2 2 282.388 0.389 20 0 CCADLP CCN(C)C(=O)[C@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000231841604 389160168 /nfs/dbraw/zinc/16/01/68/389160168.db2.gz BHKNXZULPONRMZ-JTQLQIEISA-N 2 2 267.377 0.443 20 0 CCADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000359030470 389165360 /nfs/dbraw/zinc/16/53/60/389165360.db2.gz NTNLIOVSXVZFGS-QWRGUYRKSA-N 2 2 260.403 0.493 20 0 CCADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000359030470 389165362 /nfs/dbraw/zinc/16/53/62/389165362.db2.gz NTNLIOVSXVZFGS-QWRGUYRKSA-N 2 2 260.403 0.493 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000362862868 389242745 /nfs/dbraw/zinc/24/27/45/389242745.db2.gz LJLRUWIVMNNQLD-QLFBSQMISA-N 2 2 295.427 0.507 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000362862868 389242748 /nfs/dbraw/zinc/24/27/48/389242748.db2.gz LJLRUWIVMNNQLD-QLFBSQMISA-N 2 2 295.427 0.507 20 0 CCADLP COCCCNC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247965276 389243094 /nfs/dbraw/zinc/24/30/94/389243094.db2.gz GRMRYAGSGVHPFC-UONOGXRCSA-N 2 2 283.416 0.555 20 0 CCADLP COCCCNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247965276 389243100 /nfs/dbraw/zinc/24/31/00/389243100.db2.gz GRMRYAGSGVHPFC-UONOGXRCSA-N 2 2 283.416 0.555 20 0 CCADLP COCCCNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247965276 389243101 /nfs/dbraw/zinc/24/31/01/389243101.db2.gz GRMRYAGSGVHPFC-UONOGXRCSA-N 2 2 283.416 0.555 20 0 CCADLP COCCCNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247965276 389243105 /nfs/dbraw/zinc/24/31/05/389243105.db2.gz GRMRYAGSGVHPFC-UONOGXRCSA-N 2 2 283.416 0.555 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000342721262 389248667 /nfs/dbraw/zinc/24/86/67/389248667.db2.gz YWGADNKKMCKXLC-QWRGUYRKSA-N 2 2 291.342 0.068 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000342721262 389248668 /nfs/dbraw/zinc/24/86/68/389248668.db2.gz YWGADNKKMCKXLC-QWRGUYRKSA-N 2 2 291.342 0.068 20 0 CCADLP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC[NH+]1CCOC[C@H]1C ZINC000249635735 389258136 /nfs/dbraw/zinc/25/81/36/389258136.db2.gz WLUZYXLVZSDJLA-RBSFLKMASA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC[NH+]1CCOC[C@H]1C ZINC000249635735 389258138 /nfs/dbraw/zinc/25/81/38/389258138.db2.gz WLUZYXLVZSDJLA-RBSFLKMASA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1C[NH+]2CCC[C@@H]2CN1CC[N@@H+]1CCOC[C@H]1C ZINC000249635735 389258140 /nfs/dbraw/zinc/25/81/40/389258140.db2.gz WLUZYXLVZSDJLA-RBSFLKMASA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1C[NH+]2CCC[C@@H]2CN1CC[N@H+]1CCOC[C@H]1C ZINC000249635735 389258144 /nfs/dbraw/zinc/25/81/44/389258144.db2.gz WLUZYXLVZSDJLA-RBSFLKMASA-N 2 2 267.417 0.876 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)NCC[NH+](C)C ZINC000133426352 389235059 /nfs/dbraw/zinc/23/50/59/389235059.db2.gz JNMMJAPYTNABMC-UHFFFAOYSA-N 2 2 265.361 0.508 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)[C@H]1CC[NH2+]CC1(F)F ZINC000342654264 389236067 /nfs/dbraw/zinc/23/60/67/389236067.db2.gz PGKTXCONQKUDEC-SNVBAGLBSA-N 2 2 272.299 0.634 20 0 CCADLP COC(=O)CC[N@H+](CCn1cc[nH+]c1)C[C@@H]1CCCO1 ZINC000133608135 389236986 /nfs/dbraw/zinc/23/69/86/389236986.db2.gz BJLDFMNOTXNXFA-ZDUSSCGKSA-N 2 2 281.356 0.927 20 0 CCADLP COC(=O)CC[N@@H+](CCn1cc[nH+]c1)C[C@@H]1CCCO1 ZINC000133608135 389236989 /nfs/dbraw/zinc/23/69/89/389236989.db2.gz BJLDFMNOTXNXFA-ZDUSSCGKSA-N 2 2 281.356 0.927 20 0 CCADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000362701770 389240345 /nfs/dbraw/zinc/24/03/45/389240345.db2.gz KCEIXWGABLLCOM-BFHYXJOUSA-N 2 2 282.432 0.208 20 0 CCADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000362701770 389240349 /nfs/dbraw/zinc/24/03/49/389240349.db2.gz KCEIXWGABLLCOM-BFHYXJOUSA-N 2 2 282.432 0.208 20 0 CCADLP C[C@@H](NC(=O)NCc1[nH+]ccn1C)[C@H](C)[NH+]1CCOCC1 ZINC000264332873 389321588 /nfs/dbraw/zinc/32/15/88/389321588.db2.gz XOPGSZALGRSGPV-NEPJUHHUSA-N 2 2 295.387 0.329 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000349118302 389404289 /nfs/dbraw/zinc/40/42/89/389404289.db2.gz MTZZILMXHKDEJH-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000349118302 389404294 /nfs/dbraw/zinc/40/42/94/389404294.db2.gz MTZZILMXHKDEJH-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP CCNC(=O)N1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000269138148 389404489 /nfs/dbraw/zinc/40/44/89/389404489.db2.gz XBQRYPIOFJOPPE-UHFFFAOYSA-N 2 2 279.388 0.929 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000269229122 389408435 /nfs/dbraw/zinc/40/84/35/389408435.db2.gz BSBIFBAIFMCVFJ-SNVBAGLBSA-N 2 2 250.346 0.971 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000269234654 389408999 /nfs/dbraw/zinc/40/89/99/389408999.db2.gz MAQVDTPXBFPGQK-GFCCVEGCSA-N 2 2 273.340 0.867 20 0 CCADLP C[C@H](c1cccc(NC(=O)C[NH3+])c1)[NH+]1CCOCC1 ZINC000269244527 389409635 /nfs/dbraw/zinc/40/96/35/389409635.db2.gz CZGPKKCUDXJSPD-LLVKDONJSA-N 2 2 263.341 0.977 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158805211 389351629 /nfs/dbraw/zinc/35/16/29/389351629.db2.gz QSVSRNIHNKKONX-CHWSQXEVSA-N 2 2 296.415 0.638 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158805211 389351635 /nfs/dbraw/zinc/35/16/35/389351635.db2.gz QSVSRNIHNKKONX-CHWSQXEVSA-N 2 2 296.415 0.638 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158805211 389351638 /nfs/dbraw/zinc/35/16/38/389351638.db2.gz QSVSRNIHNKKONX-CHWSQXEVSA-N 2 2 296.415 0.638 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158805211 389351641 /nfs/dbraw/zinc/35/16/41/389351641.db2.gz QSVSRNIHNKKONX-CHWSQXEVSA-N 2 2 296.415 0.638 20 0 CCADLP CCSCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000162186908 389415599 /nfs/dbraw/zinc/41/55/99/389415599.db2.gz MMDWAXDQDOQHJK-CYBMUJFWSA-N 2 2 285.457 0.978 20 0 CCADLP CCSCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000162186908 389415601 /nfs/dbraw/zinc/41/56/01/389415601.db2.gz MMDWAXDQDOQHJK-CYBMUJFWSA-N 2 2 285.457 0.978 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@H]1CCCC[NH2+]1 ZINC000422743524 389465074 /nfs/dbraw/zinc/46/50/74/389465074.db2.gz RQNUJJYWRTWLNJ-QLFBSQMISA-N 3 2 296.459 0.694 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@H]1CCCC[NH2+]1 ZINC000422743524 389465076 /nfs/dbraw/zinc/46/50/76/389465076.db2.gz RQNUJJYWRTWLNJ-QLFBSQMISA-N 3 2 296.459 0.694 20 0 CCADLP Cc1cccn2c(C[NH2+][C@@H]3CC(=O)N(C)C3)c[nH+]c12 ZINC000334366201 389475044 /nfs/dbraw/zinc/47/50/44/389475044.db2.gz IUDSWPCJIYWNLO-LLVKDONJSA-N 2 2 258.325 0.963 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000422806470 389479093 /nfs/dbraw/zinc/47/90/93/389479093.db2.gz KWZAYZYQJVSSOS-ZIAGYGMSSA-N 2 2 283.416 0.555 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000422806470 389479099 /nfs/dbraw/zinc/47/90/99/389479099.db2.gz KWZAYZYQJVSSOS-ZIAGYGMSSA-N 2 2 283.416 0.555 20 0 CCADLP CN(C)S(=O)(=O)c1ccccc1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422821105 389481655 /nfs/dbraw/zinc/48/16/55/389481655.db2.gz UKJVFWPILDJHHE-CHWSQXEVSA-N 2 2 297.424 0.906 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000422846062 389489256 /nfs/dbraw/zinc/48/92/56/389489256.db2.gz DRMZVZVLOVNHLC-UONOGXRCSA-N 2 2 283.416 0.587 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000422846062 389489259 /nfs/dbraw/zinc/48/92/59/389489259.db2.gz DRMZVZVLOVNHLC-UONOGXRCSA-N 2 2 283.416 0.587 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000422846884 389491068 /nfs/dbraw/zinc/49/10/68/389491068.db2.gz QPJURLSSZBAUGO-OLZOCXBDSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000422846884 389491073 /nfs/dbraw/zinc/49/10/73/389491073.db2.gz QPJURLSSZBAUGO-OLZOCXBDSA-N 2 2 298.431 0.029 20 0 CCADLP COCC[N@H+](C)CCC[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000422846354 389491186 /nfs/dbraw/zinc/49/11/86/389491186.db2.gz PQIXDSOIGZCNLB-KGLIPLIRSA-N 3 2 273.421 0.311 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000422846354 389491191 /nfs/dbraw/zinc/49/11/91/389491191.db2.gz PQIXDSOIGZCNLB-KGLIPLIRSA-N 3 2 273.421 0.311 20 0 CCADLP COCC[N@H+](C)CCC[NH2+][C@H](C)C[C@H]1COCCN1 ZINC000422846354 389491196 /nfs/dbraw/zinc/49/11/96/389491196.db2.gz PQIXDSOIGZCNLB-KGLIPLIRSA-N 2 2 273.421 0.311 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+][C@H](C)C[C@H]1COCCN1 ZINC000422846354 389491200 /nfs/dbraw/zinc/49/12/00/389491200.db2.gz PQIXDSOIGZCNLB-KGLIPLIRSA-N 2 2 273.421 0.311 20 0 CCADLP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000422851316 389491679 /nfs/dbraw/zinc/49/16/79/389491679.db2.gz FFWZBDXFFONNIE-RRFJBIMHSA-N 2 2 295.427 0.731 20 0 CCADLP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000422851316 389491681 /nfs/dbraw/zinc/49/16/81/389491681.db2.gz FFWZBDXFFONNIE-RRFJBIMHSA-N 2 2 295.427 0.731 20 0 CCADLP CC(C)NC(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371300730 389430772 /nfs/dbraw/zinc/43/07/72/389430772.db2.gz QIOUHQMAPQEHJQ-MGPQQGTHSA-N 2 2 283.416 0.695 20 0 CCADLP CC(C)NC(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371300730 389430774 /nfs/dbraw/zinc/43/07/74/389430774.db2.gz QIOUHQMAPQEHJQ-MGPQQGTHSA-N 2 2 283.416 0.695 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000270679656 389434009 /nfs/dbraw/zinc/43/40/09/389434009.db2.gz UJYCWVITXJQGLI-GHMZBOCLSA-N 2 2 273.402 0.945 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000270679656 389434010 /nfs/dbraw/zinc/43/40/10/389434010.db2.gz UJYCWVITXJQGLI-GHMZBOCLSA-N 2 2 273.402 0.945 20 0 CCADLP COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1CCCn1cc[nH+]c1C ZINC000372310284 389448696 /nfs/dbraw/zinc/44/86/96/389448696.db2.gz BVRYRQAILWQHCJ-CHWSQXEVSA-N 2 2 281.356 0.844 20 0 CCADLP COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1CCCn1cc[nH+]c1C ZINC000372310284 389448698 /nfs/dbraw/zinc/44/86/98/389448698.db2.gz BVRYRQAILWQHCJ-CHWSQXEVSA-N 2 2 281.356 0.844 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC3(CC[NH2+]3)CC2)CC1 ZINC000422642246 389448908 /nfs/dbraw/zinc/44/89/08/389448908.db2.gz ZCRRYWBNHCXBGQ-CQSZACIVSA-N 3 2 294.443 0.367 20 0 CCADLP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H](C)[NH3+] ZINC000372807928 389457240 /nfs/dbraw/zinc/45/72/40/389457240.db2.gz SCVOGMMIMILOEI-FRRDWIJNSA-N 3 2 282.432 0.254 20 0 CCADLP C[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H](C)[NH3+] ZINC000372807928 389457246 /nfs/dbraw/zinc/45/72/46/389457246.db2.gz SCVOGMMIMILOEI-FRRDWIJNSA-N 3 2 282.432 0.254 20 0 CCADLP Cc1[nH+]ccn1CCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422713787 389457750 /nfs/dbraw/zinc/45/77/50/389457750.db2.gz HXMKQZSJSNGVHB-LSDHHAIUSA-N 3 2 278.400 0.938 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000422727418 389460184 /nfs/dbraw/zinc/46/01/84/389460184.db2.gz HJYOLVMQYSOKDM-OLZOCXBDSA-N 2 2 269.389 0.356 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000422727418 389460187 /nfs/dbraw/zinc/46/01/87/389460187.db2.gz HJYOLVMQYSOKDM-OLZOCXBDSA-N 2 2 269.389 0.356 20 0 CCADLP COC(=O)CNC(=O)[C@@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173641257 389505640 /nfs/dbraw/zinc/50/56/40/389505640.db2.gz AHKUAPXPNLXBKP-OLZOCXBDSA-N 2 2 299.415 0.470 20 0 CCADLP COC(=O)CNC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173641257 389505645 /nfs/dbraw/zinc/50/56/45/389505645.db2.gz AHKUAPXPNLXBKP-OLZOCXBDSA-N 2 2 299.415 0.470 20 0 CCADLP COC(=O)CNC(=O)[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173641257 389505649 /nfs/dbraw/zinc/50/56/49/389505649.db2.gz AHKUAPXPNLXBKP-OLZOCXBDSA-N 2 2 299.415 0.470 20 0 CCADLP COC(=O)CNC(=O)[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173641257 389505654 /nfs/dbraw/zinc/50/56/54/389505654.db2.gz AHKUAPXPNLXBKP-OLZOCXBDSA-N 2 2 299.415 0.470 20 0 CCADLP CCNC(=O)N1CC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422929371 389506980 /nfs/dbraw/zinc/50/69/80/389506980.db2.gz PPSKRFSPRFOZPV-GRYCIOLGSA-N 2 2 254.378 0.378 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC(=O)NCCc1ccccc1 ZINC000422936846 389507647 /nfs/dbraw/zinc/50/76/47/389507647.db2.gz NABJQUQZVFRVRX-ZIAGYGMSSA-N 2 2 261.369 0.815 20 0 CCADLP CCNC(=O)C(C)(C)C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422968021 389511148 /nfs/dbraw/zinc/51/11/48/389511148.db2.gz QJHIOGQMKIWGKY-QWHCGFSZSA-N 2 2 283.416 0.505 20 0 CCADLP CCNC(=O)C(C)(C)C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000422969379 389511845 /nfs/dbraw/zinc/51/18/45/389511845.db2.gz UHKHKPMTJQJNNM-RYUDHWBXSA-N 2 2 271.405 0.505 20 0 CCADLP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000422975431 389514422 /nfs/dbraw/zinc/51/44/22/389514422.db2.gz GRCUIJRLXVHCBT-CABCVRRESA-N 3 2 269.433 0.811 20 0 CCADLP c1cc(CC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)ccn1 ZINC000423003117 389520175 /nfs/dbraw/zinc/52/01/75/389520175.db2.gz GZIORVGDNGUDGD-LSDHHAIUSA-N 2 2 261.369 0.981 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000276634204 389520564 /nfs/dbraw/zinc/52/05/64/389520564.db2.gz UBJKQCNBLFSGBE-RDFMZFSFSA-N 2 2 290.367 0.746 20 0 CCADLP O[C@@H](C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000423100547 389535521 /nfs/dbraw/zinc/53/55/21/389535521.db2.gz BWGCCYBZIWLOSX-IXDOHACOSA-N 2 2 290.407 0.947 20 0 CCADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000423242881 389556720 /nfs/dbraw/zinc/55/67/20/389556720.db2.gz WAHOGUZDNIGWGF-YPMHNXCESA-N 2 2 297.424 0.997 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423283061 389560105 /nfs/dbraw/zinc/56/01/05/389560105.db2.gz WZBPJHCQCHSPMF-RDBSUJKOSA-N 3 2 255.406 0.733 20 0 CCADLP C[C@H](CNC(=O)[C@H]1C[C@H](C)CC[NH2+]1)[NH+]1CCOCC1 ZINC000423323431 389565959 /nfs/dbraw/zinc/56/59/59/389565959.db2.gz JKUCYRIWPLIYQP-JHJVBQTASA-N 2 2 269.389 0.211 20 0 CCADLP CCCNC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374322417 389567403 /nfs/dbraw/zinc/56/74/03/389567403.db2.gz CWPNDVQENKOMQC-CABCVRRESA-N 2 2 296.459 0.470 20 0 CCADLP CCCNC(=O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374322417 389567404 /nfs/dbraw/zinc/56/74/04/389567404.db2.gz CWPNDVQENKOMQC-CABCVRRESA-N 2 2 296.459 0.470 20 0 CCADLP [NH3+]C[C@H](NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)C1CC1 ZINC000422863868 389495517 /nfs/dbraw/zinc/49/55/17/389495517.db2.gz SPNBYAFGNJTJRY-KBPBESRZSA-N 2 2 281.400 0.341 20 0 CCADLP [NH3+]C[C@H](NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1)C1CC1 ZINC000422863868 389495522 /nfs/dbraw/zinc/49/55/22/389495522.db2.gz SPNBYAFGNJTJRY-KBPBESRZSA-N 2 2 281.400 0.341 20 0 CCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422883507 389498686 /nfs/dbraw/zinc/49/86/86/389498686.db2.gz VDLHEWUYDSAZBD-ZNMIVQPWSA-N 3 2 296.459 0.646 20 0 CCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422883507 389498688 /nfs/dbraw/zinc/49/86/88/389498688.db2.gz VDLHEWUYDSAZBD-ZNMIVQPWSA-N 3 2 296.459 0.646 20 0 CCADLP CC(C)([NH3+])CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000422887801 389500116 /nfs/dbraw/zinc/50/01/16/389500116.db2.gz ZNPJYYOEDDHCPS-LBPRGKRZSA-N 2 2 269.389 0.483 20 0 CCADLP CC(C)([NH3+])CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000422887801 389500118 /nfs/dbraw/zinc/50/01/18/389500118.db2.gz ZNPJYYOEDDHCPS-LBPRGKRZSA-N 2 2 269.389 0.483 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000423865726 389612556 /nfs/dbraw/zinc/61/25/56/389612556.db2.gz KYDAEVJKRIFJMM-SWLSCSKDSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000423865726 389612559 /nfs/dbraw/zinc/61/25/59/389612559.db2.gz KYDAEVJKRIFJMM-SWLSCSKDSA-N 2 2 295.427 0.696 20 0 CCADLP CC[C@H](C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1)[NH+](C)C ZINC000178682411 389615630 /nfs/dbraw/zinc/61/56/30/389615630.db2.gz KMIDMKPTPCTEAH-CHWSQXEVSA-N 2 2 299.415 0.422 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424298564 389622775 /nfs/dbraw/zinc/62/27/75/389622775.db2.gz DMFQJRVFLDJMSJ-IJLUTSLNSA-N 2 2 284.404 0.716 20 0 CCADLP CN(C)c1ncc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)s1 ZINC000414964132 389647640 /nfs/dbraw/zinc/64/76/40/389647640.db2.gz LUGBRNCXKAPVKZ-JTQLQIEISA-N 2 2 269.418 0.202 20 0 CCADLP Cn1c(Cl)cnc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000281752332 389623819 /nfs/dbraw/zinc/62/38/19/389623819.db2.gz RCCZCFIMPOEVBA-JTQLQIEISA-N 2 2 299.806 0.503 20 0 CCADLP Cn1c(Cl)cnc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000281752332 389623824 /nfs/dbraw/zinc/62/38/24/389623824.db2.gz RCCZCFIMPOEVBA-JTQLQIEISA-N 2 2 299.806 0.503 20 0 CCADLP C[C@H]1C[C@@H](C[NH+]2CCN(Cc3[nH+]ccn3C)CC2)CC[NH2+]1 ZINC000414700552 389627943 /nfs/dbraw/zinc/62/79/43/389627943.db2.gz TUNVEYDTNNIJDT-GJZGRUSLSA-N 3 2 291.443 0.926 20 0 CCADLP COC[C@@](C)(CC(=O)OC)[NH2+]CC[NH2+]C(C)(C)C ZINC000414712711 389630536 /nfs/dbraw/zinc/63/05/36/389630536.db2.gz OANKNZBXJDAZQX-CYBMUJFWSA-N 2 2 260.378 0.932 20 0 CCADLP CC[NH2+]CC[NH2+]Cc1c(C)nn(CCC(=O)OC)c1C ZINC000414819581 389638891 /nfs/dbraw/zinc/63/88/91/389638891.db2.gz ANNQWTUAPSWCKX-UHFFFAOYSA-N 2 2 282.388 0.762 20 0 CCADLP CCOC(=O)COc1ccc(C[NH2+]CC[NH2+]C)cc1 ZINC000414821357 389638958 /nfs/dbraw/zinc/63/89/58/389638958.db2.gz DVEQXVHZBVBUSE-UHFFFAOYSA-N 2 2 266.341 0.938 20 0 CCADLP Cc1cccn2c(C[NH2+]CCN3CC[NH2+]CC3)c[nH+]c12 ZINC000414864381 389641810 /nfs/dbraw/zinc/64/18/10/389641810.db2.gz JYNBFRKGZQHXJK-UHFFFAOYSA-N 3 2 273.384 0.638 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCO[C@H](C(N)=O)C1 ZINC000351640195 389644579 /nfs/dbraw/zinc/64/45/79/389644579.db2.gz TVLFBTJWNXSHEP-NEPJUHHUSA-N 2 2 255.362 0.047 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCO[C@H](C(N)=O)C1 ZINC000351640195 389644583 /nfs/dbraw/zinc/64/45/83/389644583.db2.gz TVLFBTJWNXSHEP-NEPJUHHUSA-N 2 2 255.362 0.047 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000351640195 389644586 /nfs/dbraw/zinc/64/45/86/389644586.db2.gz TVLFBTJWNXSHEP-NEPJUHHUSA-N 2 2 255.362 0.047 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000351640195 389644588 /nfs/dbraw/zinc/64/45/88/389644588.db2.gz TVLFBTJWNXSHEP-NEPJUHHUSA-N 2 2 255.362 0.047 20 0 CCADLP CN(C)C(=O)C1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351343864 389575700 /nfs/dbraw/zinc/57/57/00/389575700.db2.gz UUOJEQPHORTXBG-CQSZACIVSA-N 2 2 283.416 0.242 20 0 CCADLP CN(C)C(=O)C1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351343864 389575704 /nfs/dbraw/zinc/57/57/04/389575704.db2.gz UUOJEQPHORTXBG-CQSZACIVSA-N 2 2 283.416 0.242 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000335579519 389576829 /nfs/dbraw/zinc/57/68/29/389576829.db2.gz OFQTYGMJLDQEOB-NSHDSACASA-N 2 2 262.357 0.654 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000423389198 389577452 /nfs/dbraw/zinc/57/74/52/389577452.db2.gz OCCHBVWNRNAASG-OLZOCXBDSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000423389198 389577461 /nfs/dbraw/zinc/57/74/61/389577461.db2.gz OCCHBVWNRNAASG-OLZOCXBDSA-N 2 2 283.416 0.602 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(COC)CC[NH2+]CC2)C1 ZINC000423405457 389581254 /nfs/dbraw/zinc/58/12/54/389581254.db2.gz JHHFGNRRCGOJTJ-KGLIPLIRSA-N 3 2 269.433 0.932 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(COC)CC[NH2+]CC2)C1 ZINC000423405457 389581258 /nfs/dbraw/zinc/58/12/58/389581258.db2.gz JHHFGNRRCGOJTJ-KGLIPLIRSA-N 3 2 269.433 0.932 20 0 CCADLP COC[C@]1(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CCC[NH2+]1 ZINC000423420389 389583957 /nfs/dbraw/zinc/58/39/57/389583957.db2.gz WUUHFGMVJOBTPW-MGPQQGTHSA-N 3 2 255.406 0.733 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]([NH3+])C2CCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000423435766 389587928 /nfs/dbraw/zinc/58/79/28/389587928.db2.gz RQQWXRHTRHAEDL-KWCYVHTRSA-N 2 2 281.400 0.293 20 0 CCADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccc2c(c1)OCO2 ZINC000423483646 389594081 /nfs/dbraw/zinc/59/40/81/389594081.db2.gz SQQUDBFBUPBRGT-WCQYABFASA-N 2 2 277.368 0.970 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@H](C[NH3+])C1CCCC1 ZINC000423496831 389594853 /nfs/dbraw/zinc/59/48/53/389594853.db2.gz FMNGSHKQCLSQMI-YNEHKIRRSA-N 2 2 269.389 0.387 20 0 CCADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423496831 389594857 /nfs/dbraw/zinc/59/48/57/389594857.db2.gz FMNGSHKQCLSQMI-YNEHKIRRSA-N 2 2 269.389 0.387 20 0 CCADLP COC(=O)c1coc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCN2C)c1 ZINC000423498149 389594915 /nfs/dbraw/zinc/59/49/15/389594915.db2.gz BLRJEDNNLSUCLY-PWSUYJOCSA-N 2 2 281.356 0.620 20 0 CCADLP CO[C@H](C)c1noc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000351498851 389596217 /nfs/dbraw/zinc/59/62/17/389596217.db2.gz WEMPHYKVXWBCCB-VPOLOUISSA-N 2 2 266.345 0.946 20 0 CCADLP CO[C@H](C)c1noc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000351498851 389596222 /nfs/dbraw/zinc/59/62/22/389596222.db2.gz WEMPHYKVXWBCCB-VPOLOUISSA-N 2 2 266.345 0.946 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H](C)CC[NH3+] ZINC000423527660 389600111 /nfs/dbraw/zinc/60/01/11/389600111.db2.gz MKFVRRQEXWAMQU-VXGBXAGGSA-N 2 2 257.378 0.341 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H](C)CC[NH3+] ZINC000423527660 389600114 /nfs/dbraw/zinc/60/01/14/389600114.db2.gz MKFVRRQEXWAMQU-VXGBXAGGSA-N 2 2 257.378 0.341 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@H]([NH3+])CC ZINC000423677295 389605034 /nfs/dbraw/zinc/60/50/34/389605034.db2.gz JUXDCIPOYIQMIC-NEPJUHHUSA-N 2 2 257.378 0.341 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@H]([NH3+])CC ZINC000423677295 389605038 /nfs/dbraw/zinc/60/50/38/389605038.db2.gz JUXDCIPOYIQMIC-NEPJUHHUSA-N 2 2 257.378 0.341 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@@H]([NH3+])CC ZINC000423677296 389605276 /nfs/dbraw/zinc/60/52/76/389605276.db2.gz JUXDCIPOYIQMIC-NWDGAFQWSA-N 2 2 257.378 0.341 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@@H]([NH3+])CC ZINC000423677296 389605279 /nfs/dbraw/zinc/60/52/79/389605279.db2.gz JUXDCIPOYIQMIC-NWDGAFQWSA-N 2 2 257.378 0.341 20 0 CCADLP COC[C@@H]1C[C@H](O)C[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425371023 389646642 /nfs/dbraw/zinc/64/66/42/389646642.db2.gz PJFTWOZNRSMDLH-JQWIXIFHSA-N 2 2 268.361 0.068 20 0 CCADLP COC[C@@H]1C[C@H](O)C[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425371023 389646645 /nfs/dbraw/zinc/64/66/45/389646645.db2.gz PJFTWOZNRSMDLH-JQWIXIFHSA-N 2 2 268.361 0.068 20 0 CCADLP CC[N@@H+]1CCCN(C(=O)NCC[NH+]2CCOC[C@H]2C)CC1 ZINC000428693332 389714456 /nfs/dbraw/zinc/71/44/56/389714456.db2.gz ZBSKGPJDRYYBQE-CQSZACIVSA-N 2 2 298.431 0.444 20 0 CCADLP CC[N@H+]1CCCN(C(=O)NCC[NH+]2CCOC[C@H]2C)CC1 ZINC000428693332 389714461 /nfs/dbraw/zinc/71/44/61/389714461.db2.gz ZBSKGPJDRYYBQE-CQSZACIVSA-N 2 2 298.431 0.444 20 0 CCADLP CC[NH+]1CCCN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000428693332 389714463 /nfs/dbraw/zinc/71/44/63/389714463.db2.gz ZBSKGPJDRYYBQE-CQSZACIVSA-N 2 2 298.431 0.444 20 0 CCADLP CC[NH+]1CCCN(C(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC000428693332 389714466 /nfs/dbraw/zinc/71/44/66/389714466.db2.gz ZBSKGPJDRYYBQE-CQSZACIVSA-N 2 2 298.431 0.444 20 0 CCADLP C[C@H](C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)[NH+]1CCOCC1 ZINC000428724193 389715586 /nfs/dbraw/zinc/71/55/86/389715586.db2.gz VITBKYHRZGQVFG-QLFBSQMISA-N 2 2 295.427 0.650 20 0 CCADLP CCCn1nc(C)c(C[NH2+]C[C@@H]2C[NH2+]CCO2)c1C ZINC000415095883 389658753 /nfs/dbraw/zinc/65/87/53/389658753.db2.gz ONILFSSMMAHGSK-ZDUSSCGKSA-N 2 2 266.389 0.988 20 0 CCADLP Cn1cccc1[C@@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000181062129 389680297 /nfs/dbraw/zinc/68/02/97/389680297.db2.gz QBBBHTKDYTUWLD-HNNXBMFYSA-N 2 2 290.411 0.936 20 0 CCADLP Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000181062129 389680298 /nfs/dbraw/zinc/68/02/98/389680298.db2.gz QBBBHTKDYTUWLD-HNNXBMFYSA-N 2 2 290.411 0.936 20 0 CCADLP CCCC[N@H+](CCCO)CC(=O)N1CC[NH+](C)CC1 ZINC000182133484 389701499 /nfs/dbraw/zinc/70/14/99/389701499.db2.gz SZAMAEOKEYCIOA-UHFFFAOYSA-N 2 2 271.405 0.245 20 0 CCADLP CCCC[N@@H+](CCCO)CC(=O)N1CC[NH+](C)CC1 ZINC000182133484 389701502 /nfs/dbraw/zinc/70/15/02/389701502.db2.gz SZAMAEOKEYCIOA-UHFFFAOYSA-N 2 2 271.405 0.245 20 0 CCADLP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)NCC(F)(F)F)C[C@H]1C[NH3+] ZINC000397427705 389778203 /nfs/dbraw/zinc/77/82/03/389778203.db2.gz YOTUCYCSCKDPEV-OPRDCNLKSA-N 2 2 281.322 0.970 20 0 CCADLP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)NCC(F)(F)F)C[C@H]1C[NH3+] ZINC000397427705 389778206 /nfs/dbraw/zinc/77/82/06/389778206.db2.gz YOTUCYCSCKDPEV-OPRDCNLKSA-N 2 2 281.322 0.970 20 0 CCADLP [NH3+]C[C@@H](NC(=O)NCc1cn2ccccc2[nH+]1)C1CC1 ZINC000416880271 389779054 /nfs/dbraw/zinc/77/90/54/389779054.db2.gz ZMYZLKVLGYLIAD-GFCCVEGCSA-N 2 2 273.340 0.871 20 0 CCADLP CC[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)CCOC)C[C@@H](CC)O1 ZINC000398688689 389783998 /nfs/dbraw/zinc/78/39/98/389783998.db2.gz QYZNERWUWBXDAP-RBSFLKMASA-N 2 2 288.432 0.815 20 0 CCADLP CC[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)CCOC)C[C@@H](CC)O1 ZINC000398688689 389784001 /nfs/dbraw/zinc/78/40/01/389784001.db2.gz QYZNERWUWBXDAP-RBSFLKMASA-N 2 2 288.432 0.815 20 0 CCADLP C[NH2+][C@H]1CCCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000417019429 389790230 /nfs/dbraw/zinc/79/02/30/389790230.db2.gz GERWJEGABIRCSF-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000417044317 389791392 /nfs/dbraw/zinc/79/13/92/389791392.db2.gz YIWCEDLRSSSPIZ-FRRDWIJNSA-N 2 2 284.404 0.099 20 0 CCADLP CC(C)[C@H](C(=O)N(C)Cc1[nH+]ccn1C)[C@H](C)[NH3+] ZINC000399486153 389792178 /nfs/dbraw/zinc/79/21/78/389792178.db2.gz YZQYOHNTJXTFIU-JQWIXIFHSA-N 2 2 252.362 0.998 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)CCc1[nH]cc[nH+]1)C1CC1 ZINC000351962734 389726448 /nfs/dbraw/zinc/72/64/48/389726448.db2.gz BMODBJLFILIEOM-NSHDSACASA-N 2 2 250.346 0.799 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000416432045 389741856 /nfs/dbraw/zinc/74/18/56/389741856.db2.gz JCQAVOQBBBLGBZ-CHWSQXEVSA-N 2 2 279.388 0.961 20 0 CCADLP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000416435160 389742694 /nfs/dbraw/zinc/74/26/94/389742694.db2.gz YKTDIYRVYZACDP-OLZOCXBDSA-N 2 2 284.404 0.135 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000352093900 389751568 /nfs/dbraw/zinc/75/15/68/389751568.db2.gz VJCSAXUNCKJCII-QWHCGFSZSA-N 2 2 291.461 0.682 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000352093900 389751571 /nfs/dbraw/zinc/75/15/71/389751571.db2.gz VJCSAXUNCKJCII-QWHCGFSZSA-N 2 2 291.461 0.682 20 0 CCADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)NCC(F)(F)F ZINC000430552399 389806611 /nfs/dbraw/zinc/80/66/11/389806611.db2.gz BFKGSBOFZCZPQL-VIFPVBQESA-N 2 2 255.284 0.628 20 0 CCADLP Cc1cc(NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C)n(C)n1 ZINC000430586092 389809970 /nfs/dbraw/zinc/80/99/70/389809970.db2.gz VFTRFOOCIIRZCW-CYBMUJFWSA-N 2 2 267.377 0.630 20 0 CCADLP CN(C)c1nc(N2CC[C@H]3OCC[NH2+][C@@H]3C2)cc[nH+]1 ZINC000404187652 389810052 /nfs/dbraw/zinc/81/00/52/389810052.db2.gz FIIOTWZINXLUAC-GHMZBOCLSA-N 2 2 263.345 0.110 20 0 CCADLP COc1ccc(CNC(=O)C[N@H+](C)C2CC[NH2+]CC2)cc1 ZINC000430612855 389812883 /nfs/dbraw/zinc/81/28/83/389812883.db2.gz UHYBUKNSNHZNJY-UHFFFAOYSA-N 2 2 291.395 0.995 20 0 CCADLP COc1ccc(CNC(=O)C[N@@H+](C)C2CC[NH2+]CC2)cc1 ZINC000430612855 389812886 /nfs/dbraw/zinc/81/28/86/389812886.db2.gz UHYBUKNSNHZNJY-UHFFFAOYSA-N 2 2 291.395 0.995 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430625220 389813872 /nfs/dbraw/zinc/81/38/72/389813872.db2.gz QBZMWRUEYAMVDW-FRRDWIJNSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430625220 389813875 /nfs/dbraw/zinc/81/38/75/389813875.db2.gz QBZMWRUEYAMVDW-FRRDWIJNSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H](C[NH3+])N(C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000417426155 389814445 /nfs/dbraw/zinc/81/44/45/389814445.db2.gz MVZNGUIACDOQEK-NSHDSACASA-N 2 2 272.393 0.086 20 0 CCADLP C[C@@H](C[NH3+])N(C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000417426155 389814446 /nfs/dbraw/zinc/81/44/46/389814446.db2.gz MVZNGUIACDOQEK-NSHDSACASA-N 2 2 272.393 0.086 20 0 CCADLP Cc1ccc([C@@H]([NH3+])C(=O)NCC[N@H+]2CCOC[C@@H]2C)cc1 ZINC000430633842 389814881 /nfs/dbraw/zinc/81/48/81/389814881.db2.gz QLISXNCGRDQFNN-DZGCQCFKSA-N 2 2 291.395 0.832 20 0 CCADLP Cc1ccc([C@@H]([NH3+])C(=O)NCC[N@@H+]2CCOC[C@@H]2C)cc1 ZINC000430633842 389814884 /nfs/dbraw/zinc/81/48/84/389814884.db2.gz QLISXNCGRDQFNN-DZGCQCFKSA-N 2 2 291.395 0.832 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC[C@H]2CCCO2)C1 ZINC000430637967 389815155 /nfs/dbraw/zinc/81/51/55/389815155.db2.gz DXFWMNGKGCNDKC-MELADBBJSA-N 2 2 283.416 0.602 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC[C@H]2CCCO2)C1 ZINC000430637967 389815159 /nfs/dbraw/zinc/81/51/59/389815159.db2.gz DXFWMNGKGCNDKC-MELADBBJSA-N 2 2 283.416 0.602 20 0 CCADLP Cn1cc(N2CC[C@@H]([N@@H+]3CCC[C@H](C[NH3+])C3)C2=O)cn1 ZINC000430647562 389816535 /nfs/dbraw/zinc/81/65/35/389816535.db2.gz GEASGRYMVSESEB-DGCLKSJQSA-N 2 2 277.372 0.196 20 0 CCADLP Cn1cc(N2CC[C@@H]([N@H+]3CCC[C@H](C[NH3+])C3)C2=O)cn1 ZINC000430647562 389816536 /nfs/dbraw/zinc/81/65/36/389816536.db2.gz GEASGRYMVSESEB-DGCLKSJQSA-N 2 2 277.372 0.196 20 0 CCADLP COCC[NH2+]CC(=O)NCc1cn2ccccc2[nH+]1 ZINC000430683627 389817087 /nfs/dbraw/zinc/81/70/87/389817087.db2.gz XCZPLBWPDZBJKR-UHFFFAOYSA-N 2 2 262.313 0.187 20 0 CCADLP C[C@H]([C@H](C)NC(=O)NCC(C)(C)[NH3+])[NH+]1CCOCC1 ZINC000417515639 389823873 /nfs/dbraw/zinc/82/38/73/389823873.db2.gz DRLHRVOSADRONV-WDEREUQCSA-N 2 2 272.393 0.132 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N[C@H](C[NH3+])C1CC1)[NH+]1CCOCC1 ZINC000417522198 389825906 /nfs/dbraw/zinc/82/59/06/389825906.db2.gz PYFAUEFYRWQVIL-DMDPSCGWSA-N 2 2 284.404 0.132 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000417522523 389825939 /nfs/dbraw/zinc/82/59/39/389825939.db2.gz GQIZBPACDORUSQ-QWHCGFSZSA-N 2 2 284.404 0.230 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000417522523 389825942 /nfs/dbraw/zinc/82/59/42/389825942.db2.gz GQIZBPACDORUSQ-QWHCGFSZSA-N 2 2 284.404 0.230 20 0 CCADLP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000430878318 389830713 /nfs/dbraw/zinc/83/07/13/389830713.db2.gz IHUWUAPIBRNDMP-XQQFMLRXSA-N 2 2 269.389 0.354 20 0 CCADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000430878318 389830715 /nfs/dbraw/zinc/83/07/15/389830715.db2.gz IHUWUAPIBRNDMP-XQQFMLRXSA-N 2 2 269.389 0.354 20 0 CCADLP C[C@@]1(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC[NH2+]C1 ZINC000430876847 389830901 /nfs/dbraw/zinc/83/09/01/389830901.db2.gz TXEZKDZWTHDNBN-CQSZACIVSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@@]1(C(=O)NCC[N@H+]2CCOCC2(C)C)CC[NH2+]C1 ZINC000430876847 389830904 /nfs/dbraw/zinc/83/09/04/389830904.db2.gz TXEZKDZWTHDNBN-CQSZACIVSA-N 2 2 269.389 0.213 20 0 CCADLP CN1CC[N@H+](C)[C@H](CNC(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000417596918 389834318 /nfs/dbraw/zinc/83/43/18/389834318.db2.gz QZZFCYZQNVVRQE-ZIAGYGMSSA-N 2 2 297.447 0.049 20 0 CCADLP CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000417596918 389834320 /nfs/dbraw/zinc/83/43/20/389834320.db2.gz QZZFCYZQNVVRQE-ZIAGYGMSSA-N 2 2 297.447 0.049 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000430919511 389835053 /nfs/dbraw/zinc/83/50/53/389835053.db2.gz QVSYIPAOXCCWPL-YPMHNXCESA-N 2 2 277.372 0.067 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000430919511 389835056 /nfs/dbraw/zinc/83/50/56/389835056.db2.gz QVSYIPAOXCCWPL-YPMHNXCESA-N 2 2 277.372 0.067 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430926331 389836038 /nfs/dbraw/zinc/83/60/38/389836038.db2.gz NZPQCHMQUZHYEO-ZDUSSCGKSA-N 2 2 271.405 0.446 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430926331 389836040 /nfs/dbraw/zinc/83/60/40/389836040.db2.gz NZPQCHMQUZHYEO-ZDUSSCGKSA-N 2 2 271.405 0.446 20 0 CCADLP C[C@@H](NC(=O)NCC[N@H+](C)C1CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000352730650 389836139 /nfs/dbraw/zinc/83/61/39/389836139.db2.gz JJVDTEBFQCFBRR-CHWSQXEVSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H](NC(=O)NCC[N@@H+](C)C1CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000352730650 389836142 /nfs/dbraw/zinc/83/61/42/389836142.db2.gz JJVDTEBFQCFBRR-CHWSQXEVSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC[C@H]1[NH3+] ZINC000430936616 389836359 /nfs/dbraw/zinc/83/63/59/389836359.db2.gz VHJPGQSRSYWWGY-IUODEOHRSA-N 3 2 294.443 0.399 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC[C@H]1[NH3+] ZINC000430936616 389836360 /nfs/dbraw/zinc/83/63/60/389836360.db2.gz VHJPGQSRSYWWGY-IUODEOHRSA-N 3 2 294.443 0.399 20 0 CCADLP C[C@@H](C[NH3+])[N@H+](C)CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000430942503 389837523 /nfs/dbraw/zinc/83/75/23/389837523.db2.gz CVDDNLBPXNTVLW-JTQLQIEISA-N 2 2 278.356 0.393 20 0 CCADLP C[C@@H](C[NH3+])[N@@H+](C)CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000430942503 389837524 /nfs/dbraw/zinc/83/75/24/389837524.db2.gz CVDDNLBPXNTVLW-JTQLQIEISA-N 2 2 278.356 0.393 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)n1 ZINC000430947293 389838532 /nfs/dbraw/zinc/83/85/32/389838532.db2.gz AMKJXFIIVDYSOH-KOLCDFICSA-N 2 2 250.346 0.914 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)n1 ZINC000430947293 389838536 /nfs/dbraw/zinc/83/85/36/389838536.db2.gz AMKJXFIIVDYSOH-KOLCDFICSA-N 2 2 250.346 0.914 20 0 CCADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000430949942 389839039 /nfs/dbraw/zinc/83/90/39/389839039.db2.gz FNKGRZKKOSRGEB-TZMCWYRMSA-N 2 2 289.379 0.907 20 0 CCADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000430949942 389839041 /nfs/dbraw/zinc/83/90/41/389839041.db2.gz FNKGRZKKOSRGEB-TZMCWYRMSA-N 2 2 289.379 0.907 20 0 CCADLP C[C@H](CC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)C1CC[NH2+]CC1 ZINC000431018211 389844960 /nfs/dbraw/zinc/84/49/60/389844960.db2.gz VKVKPZXNMURWBD-HIFRSBDPSA-N 2 2 296.459 0.374 20 0 CCADLP C[C@H](CC(=O)NC[C@H]1CN(C)CC[N@H+]1C)C1CC[NH2+]CC1 ZINC000431018211 389844961 /nfs/dbraw/zinc/84/49/61/389844961.db2.gz VKVKPZXNMURWBD-HIFRSBDPSA-N 2 2 296.459 0.374 20 0 CCADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N(C)c1nccs1 ZINC000442751157 389861341 /nfs/dbraw/zinc/86/13/41/389861341.db2.gz BSGPPQSVFFRADN-VHSXEESVSA-N 2 2 268.386 0.775 20 0 CCADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N(C)c1nccs1 ZINC000442751157 389861342 /nfs/dbraw/zinc/86/13/42/389861342.db2.gz BSGPPQSVFFRADN-VHSXEESVSA-N 2 2 268.386 0.775 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442775099 389862627 /nfs/dbraw/zinc/86/26/27/389862627.db2.gz BKAIMVANLJATRZ-GMTAPVOTSA-N 2 2 263.345 0.473 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442775099 389862628 /nfs/dbraw/zinc/86/26/28/389862628.db2.gz BKAIMVANLJATRZ-GMTAPVOTSA-N 2 2 263.345 0.473 20 0 CCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444270015 389898823 /nfs/dbraw/zinc/89/88/23/389898823.db2.gz PMLLEKNEJGMEOZ-TZMCWYRMSA-N 2 2 274.368 0.649 20 0 CCADLP Nc1cc[nH+]cc1C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000444272661 389899322 /nfs/dbraw/zinc/89/93/22/389899322.db2.gz YFCYAUMHMDGSEX-GFCCVEGCSA-N 2 2 290.367 0.288 20 0 CCADLP Cc1cc[nH+]cc1N1CCN(C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000418479267 389876556 /nfs/dbraw/zinc/87/65/56/389876556.db2.gz YPYNFRRHGKXXQQ-GFCCVEGCSA-N 2 2 291.399 0.816 20 0 CCADLP CC[N@H+](CC(=O)Nc1cc(C)on1)[C@H]1CCC[NH2+]CC1 ZINC000435613420 389959357 /nfs/dbraw/zinc/95/93/57/389959357.db2.gz JSMIBSPQNQKIMY-LBPRGKRZSA-N 2 2 280.372 0.807 20 0 CCADLP CC[N@@H+](CC(=O)Nc1cc(C)on1)[C@H]1CCC[NH2+]CC1 ZINC000435613420 389959358 /nfs/dbraw/zinc/95/93/58/389959358.db2.gz JSMIBSPQNQKIMY-LBPRGKRZSA-N 2 2 280.372 0.807 20 0 CCADLP C[C@H]([NH3+])[C@H](C)Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000420261798 389975104 /nfs/dbraw/zinc/97/51/04/389975104.db2.gz LIIRNMCPOLIESS-SRVKXCTJSA-N 2 2 279.388 0.833 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000447656646 389961831 /nfs/dbraw/zinc/96/18/31/389961831.db2.gz AOUJMSZPTBOTNH-ZDUSSCGKSA-N 2 2 271.405 0.506 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000447656646 389961834 /nfs/dbraw/zinc/96/18/34/389961834.db2.gz AOUJMSZPTBOTNH-ZDUSSCGKSA-N 2 2 271.405 0.506 20 0 CCADLP C[NH2+]CCCN1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC000435883312 389965500 /nfs/dbraw/zinc/96/55/00/389965500.db2.gz YKIRZSVTBDVQOE-CQSZACIVSA-N 2 2 282.432 0.224 20 0 CCADLP C[C@@H]1C[NH2+]CCN1c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000420218046 389967280 /nfs/dbraw/zinc/96/72/80/389967280.db2.gz LHMCVWSAGMSTAW-NEPJUHHUSA-N 2 2 277.372 0.236 20 0 CCADLP Cc1nc(N(C)C)nc(N[C@@H]2CCC[C@H]([NH3+])C2)[nH+]1 ZINC000420241713 389971723 /nfs/dbraw/zinc/97/17/23/389971723.db2.gz TXPXWDIWJIYQPB-VHSXEESVSA-N 2 2 250.350 0.350 20 0 CCADLP Cc1nc(N[C@@H]2CCC[C@H]([NH3+])C2)nc(N(C)C)[nH+]1 ZINC000420241713 389971726 /nfs/dbraw/zinc/97/17/26/389971726.db2.gz TXPXWDIWJIYQPB-VHSXEESVSA-N 2 2 250.350 0.350 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000446401573 389935443 /nfs/dbraw/zinc/93/54/43/389935443.db2.gz ZUGHYYDDHVOKHE-XJFOESAGSA-N 2 2 299.390 0.256 20 0 CCADLP COCC[NH+]1CCC([NH2+]CC2([S@@](C)=O)CCC2)CC1 ZINC000436290453 389974109 /nfs/dbraw/zinc/97/41/09/389974109.db2.gz YVFXIRDDRNUFKD-LJQANCHMSA-N 2 2 288.457 0.988 20 0 CCADLP COCCO[C@@H]1C[C@@H](CO)C[N@H+](CCCn2cc[nH+]c2)C1 ZINC000447398326 389954139 /nfs/dbraw/zinc/95/41/39/389954139.db2.gz RBHRXYMEXZQDGO-HUUCEWRRSA-N 2 2 297.399 0.619 20 0 CCADLP COCCO[C@@H]1C[C@@H](CO)C[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000447398326 389954141 /nfs/dbraw/zinc/95/41/41/389954141.db2.gz RBHRXYMEXZQDGO-HUUCEWRRSA-N 2 2 297.399 0.619 20 0 CCADLP C[C@@H]1CN(C(=O)NCCC[NH+]2CCOCC2)C[C@H](C)[N@H+]1C ZINC000457401492 390042637 /nfs/dbraw/zinc/04/26/37/390042637.db2.gz LVRQBCKQMKLIRJ-OKILXGFUSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1CN(C(=O)NCCC[NH+]2CCOCC2)C[C@H](C)[N@@H+]1C ZINC000457401492 390042640 /nfs/dbraw/zinc/04/26/40/390042640.db2.gz LVRQBCKQMKLIRJ-OKILXGFUSA-N 2 2 298.431 0.443 20 0 CCADLP C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)CC(C)(C)C[NH3+] ZINC000420282085 389977196 /nfs/dbraw/zinc/97/71/96/389977196.db2.gz AOETYLHQBGQADR-GJZGRUSLSA-N 3 2 279.428 0.834 20 0 CCADLP C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)CC(C)(C)C[NH3+] ZINC000420282085 389977198 /nfs/dbraw/zinc/97/71/98/389977198.db2.gz AOETYLHQBGQADR-GJZGRUSLSA-N 3 2 279.428 0.834 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])CCO1 ZINC000420287607 389978572 /nfs/dbraw/zinc/97/85/72/389978572.db2.gz IGHPXVBHJQNYFR-MCIONIFRSA-N 2 2 255.406 0.766 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])CCO1 ZINC000420287607 389978575 /nfs/dbraw/zinc/97/85/75/389978575.db2.gz IGHPXVBHJQNYFR-MCIONIFRSA-N 2 2 255.406 0.766 20 0 CCADLP C[C@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H](C[NH3+])C1 ZINC000420344135 389986789 /nfs/dbraw/zinc/98/67/89/389986789.db2.gz SCHYWSXLCRXUSS-KBPBESRZSA-N 3 2 282.432 0.210 20 0 CCADLP C[C@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H](C[NH3+])C1 ZINC000420344135 389986792 /nfs/dbraw/zinc/98/67/92/389986792.db2.gz SCHYWSXLCRXUSS-KBPBESRZSA-N 3 2 282.432 0.210 20 0 CCADLP C[N@@H+](CC(=O)N[C@H](c1ccccc1)C1CC1)C[C@@H](O)C[NH3+] ZINC000420348961 389987938 /nfs/dbraw/zinc/98/79/38/389987938.db2.gz BINNJUVVSMYFQC-GOEBONIOSA-N 2 2 291.395 0.505 20 0 CCADLP C[N@H+](CC(=O)N[C@H](c1ccccc1)C1CC1)C[C@@H](O)C[NH3+] ZINC000420348961 389987940 /nfs/dbraw/zinc/98/79/40/389987940.db2.gz BINNJUVVSMYFQC-GOEBONIOSA-N 2 2 291.395 0.505 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH3+])[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000420354509 389990403 /nfs/dbraw/zinc/99/04/03/389990403.db2.gz OMGVIPZGRWAWDD-CABZTGNLSA-N 2 2 299.321 0.322 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH3+])[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000420354509 389990404 /nfs/dbraw/zinc/99/04/04/389990404.db2.gz OMGVIPZGRWAWDD-CABZTGNLSA-N 2 2 299.321 0.322 20 0 CCADLP COC(=O)c1cc(C[N@H+](C)C[C@@H](O)C[NH3+])c(C)s1 ZINC000420356155 389990755 /nfs/dbraw/zinc/99/07/55/389990755.db2.gz QOKXVKAICQVNMU-JTQLQIEISA-N 2 2 272.370 0.595 20 0 CCADLP COC(=O)c1cc(C[N@@H+](C)C[C@@H](O)C[NH3+])c(C)s1 ZINC000420356155 389990758 /nfs/dbraw/zinc/99/07/58/389990758.db2.gz QOKXVKAICQVNMU-JTQLQIEISA-N 2 2 272.370 0.595 20 0 CCADLP Cc1cccc(NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C[NH3+])c1 ZINC000420357820 389990775 /nfs/dbraw/zinc/99/07/75/389990775.db2.gz SZBFUWJJIGRSNI-DGCLKSJQSA-N 2 2 265.357 0.573 20 0 CCADLP Cc1cccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C[NH3+])c1 ZINC000420357820 389990777 /nfs/dbraw/zinc/99/07/77/389990777.db2.gz SZBFUWJJIGRSNI-DGCLKSJQSA-N 2 2 265.357 0.573 20 0 CCADLP C[N@@H+](CC(=O)NCCc1ccc(Cl)cc1)C[C@H](O)C[NH3+] ZINC000420356582 389990808 /nfs/dbraw/zinc/99/08/08/389990808.db2.gz QYRAGPKYYOCSSB-CYBMUJFWSA-N 2 2 299.802 0.250 20 0 CCADLP C[N@H+](CC(=O)NCCc1ccc(Cl)cc1)C[C@H](O)C[NH3+] ZINC000420356582 389990810 /nfs/dbraw/zinc/99/08/10/389990810.db2.gz QYRAGPKYYOCSSB-CYBMUJFWSA-N 2 2 299.802 0.250 20 0 CCADLP C[N@@H+](CC(=O)NCCc1ccc(Cl)cc1)C[C@@H](O)C[NH3+] ZINC000420356584 389991020 /nfs/dbraw/zinc/99/10/20/389991020.db2.gz QYRAGPKYYOCSSB-ZDUSSCGKSA-N 2 2 299.802 0.250 20 0 CCADLP C[N@H+](CC(=O)NCCc1ccc(Cl)cc1)C[C@@H](O)C[NH3+] ZINC000420356584 389991022 /nfs/dbraw/zinc/99/10/22/389991022.db2.gz QYRAGPKYYOCSSB-ZDUSSCGKSA-N 2 2 299.802 0.250 20 0 CCADLP [NH3+]C[C@@H]([NH2+]CC(=O)NC[C@H]1CCCO1)C1CCCCC1 ZINC000420369746 389993403 /nfs/dbraw/zinc/99/34/03/389993403.db2.gz OLYMPSQLYSLNTB-ZIAGYGMSSA-N 2 2 283.416 0.779 20 0 CCADLP CC[C@@H](F)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000440789909 390044833 /nfs/dbraw/zinc/04/48/33/390044833.db2.gz CMIHAEQCBPCXKP-CHWSQXEVSA-N 2 2 271.380 0.973 20 0 CCADLP CC[C@@H](F)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000440789909 390044834 /nfs/dbraw/zinc/04/48/34/390044834.db2.gz CMIHAEQCBPCXKP-CHWSQXEVSA-N 2 2 271.380 0.973 20 0 CCADLP [NH3+][C@@H]1CN(CC[NH+]2CCOCC2)C[C@H]1c1ccccc1F ZINC000420389869 389995733 /nfs/dbraw/zinc/99/57/33/389995733.db2.gz PRHBJYNYOXBVPT-GOEBONIOSA-N 2 2 293.386 0.884 20 0 CCADLP Cc1cccc(CNC(=O)C[N@@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000420398497 389996440 /nfs/dbraw/zinc/99/64/40/389996440.db2.gz YWJQNYUPWZIPFO-OAHLLOKOSA-N 2 2 291.395 0.661 20 0 CCADLP Cc1cccc(CNC(=O)C[N@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000420398497 389996443 /nfs/dbraw/zinc/99/64/43/389996443.db2.gz YWJQNYUPWZIPFO-OAHLLOKOSA-N 2 2 291.395 0.661 20 0 CCADLP C[C@H](C[NH2+]CC[C@@H]1CCOC1)C[NH+]1CCOCC1 ZINC000438192917 390002747 /nfs/dbraw/zinc/00/27/47/390002747.db2.gz UPJJGHGDHPPTSQ-ZIAGYGMSSA-N 2 2 256.390 0.971 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]CC[C@@H]1CCOC1 ZINC000438217391 390003201 /nfs/dbraw/zinc/00/32/01/390003201.db2.gz RQBKLDLUAFXJLY-CHWSQXEVSA-N 2 2 269.389 0.342 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]CC[C@@H]1CCOC1 ZINC000438217391 390003202 /nfs/dbraw/zinc/00/32/02/390003202.db2.gz RQBKLDLUAFXJLY-CHWSQXEVSA-N 2 2 269.389 0.342 20 0 CCADLP CC[C@H](Cn1cncn1)[NH2+]C[C@H]1CCC[N@@H+]1CCOC ZINC000438834384 390010521 /nfs/dbraw/zinc/01/05/21/390010521.db2.gz SEEPVPNASWDGDP-ZIAGYGMSSA-N 2 2 281.404 0.757 20 0 CCADLP CC[C@H](Cn1cncn1)[NH2+]C[C@H]1CCC[N@H+]1CCOC ZINC000438834384 390010522 /nfs/dbraw/zinc/01/05/22/390010522.db2.gz SEEPVPNASWDGDP-ZIAGYGMSSA-N 2 2 281.404 0.757 20 0 CCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCC[NH+]1CCOCC1 ZINC000420759431 390029993 /nfs/dbraw/zinc/02/99/93/390029993.db2.gz ILIOSTCEHOLVFJ-ZDUSSCGKSA-N 2 2 284.404 0.054 20 0 CCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCC[NH+]1CCOCC1 ZINC000420759431 390029995 /nfs/dbraw/zinc/02/99/95/390029995.db2.gz ILIOSTCEHOLVFJ-ZDUSSCGKSA-N 2 2 284.404 0.054 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[NH+](C)C[C@H]2C)CCO1 ZINC000487492849 390087620 /nfs/dbraw/zinc/08/76/20/390087620.db2.gz AKWVXGZQOHADQL-MGPQQGTHSA-N 2 2 283.416 0.411 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[NH+](C)C[C@H]2C)CCO1 ZINC000487492849 390087621 /nfs/dbraw/zinc/08/76/21/390087621.db2.gz AKWVXGZQOHADQL-MGPQQGTHSA-N 2 2 283.416 0.411 20 0 CCADLP CC[C@@H]1C[NH+](CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CCO1 ZINC000487492849 390087622 /nfs/dbraw/zinc/08/76/22/390087622.db2.gz AKWVXGZQOHADQL-MGPQQGTHSA-N 2 2 283.416 0.411 20 0 CCADLP CC[C@@H]1C[NH+](CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CCO1 ZINC000487492849 390087623 /nfs/dbraw/zinc/08/76/23/390087623.db2.gz AKWVXGZQOHADQL-MGPQQGTHSA-N 2 2 283.416 0.411 20 0 CCADLP Cc1nc(N2CC[N@@H+](C)CC[C@H]2C)nc(N(C)C)[nH+]1 ZINC000488427551 390093889 /nfs/dbraw/zinc/09/38/89/390093889.db2.gz VCXKFVLSEJVBLU-SNVBAGLBSA-N 2 2 264.377 0.776 20 0 CCADLP Cc1nc(N2CC[N@H+](C)CC[C@H]2C)nc(N(C)C)[nH+]1 ZINC000488427551 390093890 /nfs/dbraw/zinc/09/38/90/390093890.db2.gz VCXKFVLSEJVBLU-SNVBAGLBSA-N 2 2 264.377 0.776 20 0 CCADLP C[N@@H+]1CC[C@@H]2OCCN(C(=O)C=Cc3c[nH]c[nH+]3)[C@H]2C1 ZINC000493166910 390120160 /nfs/dbraw/zinc/12/01/60/390120160.db2.gz ZHAKWRLFHPSWOK-KQZHAYLCSA-N 2 2 276.340 0.354 20 0 CCADLP C[N@H+]1CC[C@@H]2OCCN(C(=O)C=Cc3c[nH]c[nH+]3)[C@H]2C1 ZINC000493166910 390120161 /nfs/dbraw/zinc/12/01/61/390120161.db2.gz ZHAKWRLFHPSWOK-KQZHAYLCSA-N 2 2 276.340 0.354 20 0 CCADLP COC(=O)NCCC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000491391829 390112916 /nfs/dbraw/zinc/11/29/16/390112916.db2.gz UDNDUSUJUDXAOX-UHFFFAOYSA-N 2 2 289.295 0.952 20 0 CCADLP CC[C@H](C)[N@H+](C)CCNC(=O)NCCc1cn(C)c[nH+]1 ZINC000458249616 390054592 /nfs/dbraw/zinc/05/45/92/390054592.db2.gz ZFDLHNHOERVQSH-LBPRGKRZSA-N 2 2 281.404 0.992 20 0 CCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)NCCc1cn(C)c[nH+]1 ZINC000458249616 390054593 /nfs/dbraw/zinc/05/45/93/390054593.db2.gz ZFDLHNHOERVQSH-LBPRGKRZSA-N 2 2 281.404 0.992 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC(C)(C)C[NH+](C)C ZINC000458330549 390055791 /nfs/dbraw/zinc/05/57/91/390055791.db2.gz DFKQUSUSAGHDSR-CYBMUJFWSA-N 2 2 299.463 0.262 20 0 CCADLP C[C@H](C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000647830035 390184078 /nfs/dbraw/zinc/18/40/78/390184078.db2.gz JZDYSIUTFJXTRW-BFHYXJOUSA-N 2 2 282.432 0.173 20 0 CCADLP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000647832300 390185131 /nfs/dbraw/zinc/18/51/31/390185131.db2.gz XNGVQZRQDXMLFV-OLZOCXBDSA-N 2 2 283.416 0.648 20 0 CCADLP CCCCn1nnnc1C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000579574104 390185325 /nfs/dbraw/zinc/18/53/25/390185325.db2.gz ZFEYLVMQROAHCU-NSHDSACASA-N 2 2 266.393 0.951 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)/C=C/C[NH+](C)C ZINC000493288816 390122475 /nfs/dbraw/zinc/12/24/75/390122475.db2.gz NUFAUNILZNBDFN-GFUIURDCSA-N 2 2 269.389 0.283 20 0 CCADLP C[C@@H](C(=O)N(C)CCCn1cc[nH+]c1)C1C[NH2+]C1 ZINC000579589958 390188191 /nfs/dbraw/zinc/18/81/91/390188191.db2.gz YIHVGTNBKXVOGJ-LLVKDONJSA-N 2 2 250.346 0.587 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000534579424 390130056 /nfs/dbraw/zinc/13/00/56/390130056.db2.gz PDMCTTCYTADVDI-LBPRGKRZSA-N 2 2 278.356 0.068 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000534579424 390130057 /nfs/dbraw/zinc/13/00/57/390130057.db2.gz PDMCTTCYTADVDI-LBPRGKRZSA-N 2 2 278.356 0.068 20 0 CCADLP C[N@@H+]1CCN(C(=O)/C=C\c2cncc(F)c2)[C@H](C[NH3+])C1 ZINC000493862737 390130035 /nfs/dbraw/zinc/13/00/35/390130035.db2.gz YUIFZQXASGKCLJ-XQJDBVBESA-N 2 2 278.331 0.335 20 0 CCADLP C[N@H+]1CCN(C(=O)/C=C\c2cncc(F)c2)[C@H](C[NH3+])C1 ZINC000493862737 390130036 /nfs/dbraw/zinc/13/00/36/390130036.db2.gz YUIFZQXASGKCLJ-XQJDBVBESA-N 2 2 278.331 0.335 20 0 CCADLP O=C(NC[C@@H]1CC[NH2+]C1)C1CC[NH+](CC(F)F)CC1 ZINC000644110247 390135070 /nfs/dbraw/zinc/13/50/70/390135070.db2.gz RKMGHGQZOVLNCT-SNVBAGLBSA-N 2 2 275.343 0.689 20 0 CCADLP CC1(C)C[NH2+][C@H]1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000644150309 390148411 /nfs/dbraw/zinc/14/84/11/390148411.db2.gz HMZMHSHDPHNGCI-AAEUAGOBSA-N 2 2 274.368 0.775 20 0 CCADLP O=C(NC[C@@H]1C[NH2+]CCO1)C1CC[NH+](CC(F)F)CC1 ZINC000644161033 390152898 /nfs/dbraw/zinc/15/28/98/390152898.db2.gz BIVMEWSAFKPXLM-NSHDSACASA-N 2 2 291.342 0.068 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)NCCn2cc[nH+]c2)CCO1 ZINC000494199362 390157430 /nfs/dbraw/zinc/15/74/30/390157430.db2.gz VIFADDBGSDEAAM-CYBMUJFWSA-N 2 2 295.387 0.293 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCCn2cc[nH+]c2)CCO1 ZINC000494199362 390157432 /nfs/dbraw/zinc/15/74/32/390157432.db2.gz VIFADDBGSDEAAM-CYBMUJFWSA-N 2 2 295.387 0.293 20 0 CCADLP COCCC[N@H+](C)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647785741 390171428 /nfs/dbraw/zinc/17/14/28/390171428.db2.gz DVCLQVBBNRUZFK-QLFBSQMISA-N 3 2 269.433 0.932 20 0 CCADLP COCCC[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647785741 390171431 /nfs/dbraw/zinc/17/14/31/390171431.db2.gz DVCLQVBBNRUZFK-QLFBSQMISA-N 3 2 269.433 0.932 20 0 CCADLP O=C(N1CCCCC1)N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647874444 390202447 /nfs/dbraw/zinc/20/24/47/390202447.db2.gz WPPSDNCOZBAVJF-AWEZNQCLSA-N 2 2 280.416 0.819 20 0 CCADLP O=C(N1CCCC1)N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647874248 390202548 /nfs/dbraw/zinc/20/25/48/390202548.db2.gz KXJIWLBRWCLYAE-ZDUSSCGKSA-N 2 2 266.389 0.429 20 0 CCADLP COCC1([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CC1 ZINC000539650404 390207990 /nfs/dbraw/zinc/20/79/90/390207990.db2.gz KYAHUSZGXQIJKF-UHFFFAOYSA-N 2 2 297.443 0.552 20 0 CCADLP COCC1([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CC1 ZINC000539650404 390207992 /nfs/dbraw/zinc/20/79/92/390207992.db2.gz KYAHUSZGXQIJKF-UHFFFAOYSA-N 2 2 297.443 0.552 20 0 CCADLP O=C(CC[N@@H+]1CCO[C@@H](C(F)(F)F)C1)N1CC[NH2+]CC1 ZINC000647886835 390208314 /nfs/dbraw/zinc/20/83/14/390208314.db2.gz ZWKAETRZWYHSTN-SNVBAGLBSA-N 2 2 295.305 0.071 20 0 CCADLP O=C(CC[N@H+]1CCO[C@@H](C(F)(F)F)C1)N1CC[NH2+]CC1 ZINC000647886835 390208316 /nfs/dbraw/zinc/20/83/16/390208316.db2.gz ZWKAETRZWYHSTN-SNVBAGLBSA-N 2 2 295.305 0.071 20 0 CCADLP C[C@@H]1C[N@H+](CCOCC[NH3+])C[C@@H](C(F)(F)F)O1 ZINC000647889289 390208808 /nfs/dbraw/zinc/20/88/08/390208808.db2.gz CFXFRSXEPRYIQI-BDAKNGLRSA-N 2 2 256.268 0.613 20 0 CCADLP C[C@@H]1C[N@@H+](CCOCC[NH3+])C[C@@H](C(F)(F)F)O1 ZINC000647889289 390208811 /nfs/dbraw/zinc/20/88/11/390208811.db2.gz CFXFRSXEPRYIQI-BDAKNGLRSA-N 2 2 256.268 0.613 20 0 CCADLP CN1CCC[C@H]([N@H+](C)C[C@H]2CCC[NH+](C)C2)C1=O ZINC000539808730 390211844 /nfs/dbraw/zinc/21/18/44/390211844.db2.gz ODXNJKWZGWEJAT-STQMWFEESA-N 2 2 253.390 0.881 20 0 CCADLP CN1CCC[C@H]([N@@H+](C)C[C@H]2CCC[NH+](C)C2)C1=O ZINC000539808730 390211846 /nfs/dbraw/zinc/21/18/46/390211846.db2.gz ODXNJKWZGWEJAT-STQMWFEESA-N 2 2 253.390 0.881 20 0 CCADLP CN1CCC[C@H]([NH+](C)C[C@H]2CCC[N@H+](C)C2)C1=O ZINC000539808730 390211850 /nfs/dbraw/zinc/21/18/50/390211850.db2.gz ODXNJKWZGWEJAT-STQMWFEESA-N 2 2 253.390 0.881 20 0 CCADLP CN1CCC[C@H]([NH+](C)C[C@H]2CCC[N@@H+](C)C2)C1=O ZINC000539808730 390211852 /nfs/dbraw/zinc/21/18/52/390211852.db2.gz ODXNJKWZGWEJAT-STQMWFEESA-N 2 2 253.390 0.881 20 0 CCADLP Cc1noc([C@H](C)[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)n1 ZINC000647909617 390214304 /nfs/dbraw/zinc/21/43/04/390214304.db2.gz JQJFRNKZZDYFCI-JQWIXIFHSA-N 2 2 293.371 0.335 20 0 CCADLP Cc1noc([C@H](C)[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)n1 ZINC000647909617 390214307 /nfs/dbraw/zinc/21/43/07/390214307.db2.gz JQJFRNKZZDYFCI-JQWIXIFHSA-N 2 2 293.371 0.335 20 0 CCADLP CC1([NH3+])CC[NH+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000647925512 390219107 /nfs/dbraw/zinc/21/91/07/390219107.db2.gz LZEGADCWDSRGNS-UONOGXRCSA-N 2 2 295.427 0.970 20 0 CCADLP CC1([NH3+])CC[NH+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000647925513 390219148 /nfs/dbraw/zinc/21/91/48/390219148.db2.gz LZEGADCWDSRGNS-ZIAGYGMSSA-N 2 2 295.427 0.970 20 0 CCADLP C[N@H+](CCC[NH3+])CC(=O)N1CC(=O)Nc2ccccc21 ZINC000647850120 390192829 /nfs/dbraw/zinc/19/28/29/390192829.db2.gz HOPZEDJPVRLLGT-UHFFFAOYSA-N 2 2 276.340 0.252 20 0 CCADLP C[N@@H+](CCC[NH3+])CC(=O)N1CC(=O)Nc2ccccc21 ZINC000647850120 390192833 /nfs/dbraw/zinc/19/28/33/390192833.db2.gz HOPZEDJPVRLLGT-UHFFFAOYSA-N 2 2 276.340 0.252 20 0 CCADLP C[C@@H]([NH3+])[C@H]1C[N@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000647865741 390198095 /nfs/dbraw/zinc/19/80/95/390198095.db2.gz RPLAOHMQTMHVBJ-TZMCWYRMSA-N 3 2 255.406 0.814 20 0 CCADLP C[C@@H]([NH3+])[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000647865741 390198097 /nfs/dbraw/zinc/19/80/97/390198097.db2.gz RPLAOHMQTMHVBJ-TZMCWYRMSA-N 3 2 255.406 0.814 20 0 CCADLP COCC[N@@H+]1CCN(c2nc[nH+]c3c2OCCN3)C[C@@H]1C ZINC000647867915 390199221 /nfs/dbraw/zinc/19/92/21/390199221.db2.gz ZXSIBBOERCTSMF-NSHDSACASA-N 2 2 293.371 0.438 20 0 CCADLP COCC[N@H+]1CCN(c2nc[nH+]c3c2OCCN3)C[C@@H]1C ZINC000647867915 390199225 /nfs/dbraw/zinc/19/92/25/390199225.db2.gz ZXSIBBOERCTSMF-NSHDSACASA-N 2 2 293.371 0.438 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+](CCc3c[nH]nn3)CC2)c1 ZINC000647962895 390229897 /nfs/dbraw/zinc/22/98/97/390229897.db2.gz ZEZZCTIICWIJQI-UHFFFAOYSA-N 2 2 288.355 0.573 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+](CCc3cn[nH]n3)CC2)c1 ZINC000647962895 390229902 /nfs/dbraw/zinc/22/99/02/390229902.db2.gz ZEZZCTIICWIJQI-UHFFFAOYSA-N 2 2 288.355 0.573 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000644547666 390250515 /nfs/dbraw/zinc/25/05/15/390250515.db2.gz GBFFGGZSKVWFTP-XQQFMLRXSA-N 2 2 260.378 0.083 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000644547666 390250518 /nfs/dbraw/zinc/25/05/18/390250518.db2.gz GBFFGGZSKVWFTP-XQQFMLRXSA-N 2 2 260.378 0.083 20 0 CCADLP [NH3+]CC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000581370941 390251588 /nfs/dbraw/zinc/25/15/88/390251588.db2.gz IHTOCMHAARYPJX-UHFFFAOYSA-N 2 2 254.359 0.136 20 0 CCADLP COC1(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CCCC1 ZINC000583614957 390296734 /nfs/dbraw/zinc/29/67/34/390296734.db2.gz YUHWQDHPJSYDQC-GFCCVEGCSA-N 2 2 284.404 0.230 20 0 CCADLP COC1(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CCCC1 ZINC000583614957 390296738 /nfs/dbraw/zinc/29/67/38/390296738.db2.gz YUHWQDHPJSYDQC-GFCCVEGCSA-N 2 2 284.404 0.230 20 0 CCADLP CCOCC[C@H](O)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000644589383 390260857 /nfs/dbraw/zinc/26/08/57/390260857.db2.gz XBWRTEHRUNWBMJ-KWCYVHTRSA-N 2 2 256.390 0.846 20 0 CCADLP CCOCC[C@H](O)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000644589383 390260859 /nfs/dbraw/zinc/26/08/59/390260859.db2.gz XBWRTEHRUNWBMJ-KWCYVHTRSA-N 2 2 256.390 0.846 20 0 CCADLP COCCOC[C@H](O)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000644589241 390261317 /nfs/dbraw/zinc/26/13/17/390261317.db2.gz KGYYDZMPGIVFOV-BNOWGMLFSA-N 2 2 272.389 0.083 20 0 CCADLP COCCOC[C@H](O)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000644589241 390261320 /nfs/dbraw/zinc/26/13/20/390261320.db2.gz KGYYDZMPGIVFOV-BNOWGMLFSA-N 2 2 272.389 0.083 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(C(=O)N(C)C)CCCC1 ZINC000583625125 390299047 /nfs/dbraw/zinc/29/90/47/390299047.db2.gz JNLKCDQJLSRVFM-KBPBESRZSA-N 2 2 297.443 0.992 20 0 CCADLP COC[C@H]1CC[N@@H+]1CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000495979693 390277641 /nfs/dbraw/zinc/27/76/41/390277641.db2.gz HHILZQVRHMIPRX-UKRRQHHQSA-N 2 2 295.383 0.581 20 0 CCADLP COC[C@H]1CC[N@H+]1CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000495979693 390277644 /nfs/dbraw/zinc/27/76/44/390277644.db2.gz HHILZQVRHMIPRX-UKRRQHHQSA-N 2 2 295.383 0.581 20 0 CCADLP [NH3+][C@@H](C(=O)N1CC[NH+](CCO)CC1)c1cccc(Cl)c1 ZINC000648136205 390303515 /nfs/dbraw/zinc/30/35/15/390303515.db2.gz HBKZYSSULUVJGI-CYBMUJFWSA-N 2 2 297.786 0.476 20 0 CCADLP CN1C[C@H](C[N@H+](C)CCCn2cc[nH+]c2)OC1=O ZINC000496136992 390307135 /nfs/dbraw/zinc/30/71/35/390307135.db2.gz LATRTSUQYLPXQO-NSHDSACASA-N 2 2 252.318 0.656 20 0 CCADLP CN1C[C@H](C[N@@H+](C)CCCn2cc[nH+]c2)OC1=O ZINC000496136992 390307138 /nfs/dbraw/zinc/30/71/38/390307138.db2.gz LATRTSUQYLPXQO-NSHDSACASA-N 2 2 252.318 0.656 20 0 CCADLP CC1=CC[NH+](CCNC(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000546567285 390350416 /nfs/dbraw/zinc/35/04/16/390350416.db2.gz YGLLSHRWVSHQGF-AWEZNQCLSA-N 2 2 296.415 0.268 20 0 CCADLP CC1=CC[N@H+](CCNC(=O)NC[C@H]2C[NH+](C)CCO2)CC1 ZINC000546567285 390350426 /nfs/dbraw/zinc/35/04/26/390350426.db2.gz YGLLSHRWVSHQGF-AWEZNQCLSA-N 2 2 296.415 0.268 20 0 CCADLP CC1=CC[N@@H+](CCNC(=O)NC[C@H]2C[NH+](C)CCO2)CC1 ZINC000546567285 390350429 /nfs/dbraw/zinc/35/04/29/390350429.db2.gz YGLLSHRWVSHQGF-AWEZNQCLSA-N 2 2 296.415 0.268 20 0 CCADLP [NH3+][C@H]1C[C@@H](C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000584532439 390354026 /nfs/dbraw/zinc/35/40/26/390354026.db2.gz OXEWOGGDPURRER-XQQFMLRXSA-N 2 2 267.373 0.047 20 0 CCADLP C[C@@H]1[C@H](C(=O)N(C)CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000648763878 390403528 /nfs/dbraw/zinc/40/35/28/390403528.db2.gz MPCOMYIRIQQHMS-CHWSQXEVSA-N 2 2 269.389 0.117 20 0 CCADLP C[C@@H]1[C@H](C(=O)N(C)CC[NH+]2CCOCC2)CC[N@H+]1C ZINC000648763878 390403531 /nfs/dbraw/zinc/40/35/31/390403531.db2.gz MPCOMYIRIQQHMS-CHWSQXEVSA-N 2 2 269.389 0.117 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000547864815 390405961 /nfs/dbraw/zinc/40/59/61/390405961.db2.gz CVWGXKDJRZXMKU-GFCCVEGCSA-N 2 2 262.357 0.659 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548000932 390413484 /nfs/dbraw/zinc/41/34/84/390413484.db2.gz MQAZMAGIMVEKNN-GFCCVEGCSA-N 2 2 288.355 0.702 20 0 CCADLP Cc1cc(N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)nc(C)[nH+]1 ZINC000645358244 390414018 /nfs/dbraw/zinc/41/40/18/390414018.db2.gz BEFOOTMWAQIBOU-NSHDSACASA-N 2 2 277.372 0.650 20 0 CCADLP CCN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000548018970 390414726 /nfs/dbraw/zinc/41/47/26/390414726.db2.gz YTFAKODOFOCWQK-STQMWFEESA-N 2 2 291.399 0.709 20 0 CCADLP CCN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000548018970 390414727 /nfs/dbraw/zinc/41/47/27/390414727.db2.gz YTFAKODOFOCWQK-STQMWFEESA-N 2 2 291.399 0.709 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)CCc2[nH]cc[nH+]2)CCO1 ZINC000554472882 390427788 /nfs/dbraw/zinc/42/77/88/390427788.db2.gz SCKYLEJHBASQFK-LLVKDONJSA-N 2 2 266.345 0.179 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)CCc2[nH]cc[nH+]2)CCO1 ZINC000554472882 390427791 /nfs/dbraw/zinc/42/77/91/390427791.db2.gz SCKYLEJHBASQFK-LLVKDONJSA-N 2 2 266.345 0.179 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCC12CCOCC2 ZINC000554561057 390433252 /nfs/dbraw/zinc/43/32/52/390433252.db2.gz OERBVYNVSLXLMS-ZIAGYGMSSA-N 2 2 295.427 0.875 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCC12CCOCC2 ZINC000554561057 390433257 /nfs/dbraw/zinc/43/32/57/390433257.db2.gz OERBVYNVSLXLMS-ZIAGYGMSSA-N 2 2 295.427 0.875 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)[C@H]1CCCO1 ZINC000527958166 285374923 /nfs/dbraw/zinc/37/49/23/285374923.db2.gz VBADNFSLXRSREN-VZZFWQQMSA-N 2 2 254.374 0.599 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)[C@H]1CCCO1 ZINC000527958166 285374928 /nfs/dbraw/zinc/37/49/28/285374928.db2.gz VBADNFSLXRSREN-VZZFWQQMSA-N 2 2 254.374 0.599 20 0 CCADLP C[C@H](Cc1ccoc1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000648437234 390372541 /nfs/dbraw/zinc/37/25/41/390372541.db2.gz GRZVMJVJSFRPGF-GFCCVEGCSA-N 2 2 265.357 0.574 20 0 CCADLP C[C@H]1C[N@H+](CCNc2nc(N)[nH+]c3c2CCCC3)CCO1 ZINC000645153238 390378672 /nfs/dbraw/zinc/37/86/72/390378672.db2.gz YPLSXBLZYKVRGC-NSHDSACASA-N 2 2 291.399 0.322 20 0 CCADLP C[C@H]1C[N@@H+](CCNc2nc(N)[nH+]c3c2CCCC3)CCO1 ZINC000645153238 390378674 /nfs/dbraw/zinc/37/86/74/390378674.db2.gz YPLSXBLZYKVRGC-NSHDSACASA-N 2 2 291.399 0.322 20 0 CCADLP CN(CCC[NH+](C)C)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000555231689 390450273 /nfs/dbraw/zinc/45/02/73/390450273.db2.gz KEFFDUQTAWJQFG-NSHDSACASA-N 2 2 279.388 0.860 20 0 CCADLP CN(CCC[NH+](C)C)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000555231689 390450277 /nfs/dbraw/zinc/45/02/77/390450277.db2.gz KEFFDUQTAWJQFG-NSHDSACASA-N 2 2 279.388 0.860 20 0 CCADLP CC[N@@H+]1CCCN(CCC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000643611489 390467520 /nfs/dbraw/zinc/46/75/20/390467520.db2.gz UODMIIJZHUWKQS-HNNXBMFYSA-N 2 2 296.459 0.567 20 0 CCADLP CC[N@H+]1CCCN(CCC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000643611489 390467523 /nfs/dbraw/zinc/46/75/23/390467523.db2.gz UODMIIJZHUWKQS-HNNXBMFYSA-N 2 2 296.459 0.567 20 0 CCADLP CCN1CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000643611489 390467527 /nfs/dbraw/zinc/46/75/27/390467527.db2.gz UODMIIJZHUWKQS-HNNXBMFYSA-N 2 2 296.459 0.567 20 0 CCADLP CCN1CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000643611489 390467533 /nfs/dbraw/zinc/46/75/33/390467533.db2.gz UODMIIJZHUWKQS-HNNXBMFYSA-N 2 2 296.459 0.567 20 0 CCADLP Cc1[nH+]c2n(c1C)CCN(C(=O)[C@@H]1CC[NH2+][C@H]1C)C2 ZINC000646043850 390582055 /nfs/dbraw/zinc/58/20/55/390582055.db2.gz LCZGALGCJDESSG-CMPLNLGQSA-N 2 2 262.357 0.840 20 0 CCADLP CC[C@@H]1CCCC[N@@H+]1CCNC[C@H](O)C[NH+]1CCOCC1 ZINC000519637529 390521307 /nfs/dbraw/zinc/52/13/07/390521307.db2.gz JNICAQLEGMLDIM-CVEARBPZSA-N 2 2 299.459 0.534 20 0 CCADLP CC[C@@H]1CCCC[N@H+]1CCNC[C@H](O)C[NH+]1CCOCC1 ZINC000519637529 390521309 /nfs/dbraw/zinc/52/13/09/390521309.db2.gz JNICAQLEGMLDIM-CVEARBPZSA-N 2 2 299.459 0.534 20 0 CCADLP C[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]([NH3+])c1cscn1 ZINC000649332253 390589075 /nfs/dbraw/zinc/58/90/75/390589075.db2.gz JRJSMEPZIKXSOM-WPRPVWTQSA-N 2 2 254.359 0.305 20 0 CCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]([NH3+])c1cscn1 ZINC000649332253 390589079 /nfs/dbraw/zinc/58/90/79/390589079.db2.gz JRJSMEPZIKXSOM-WPRPVWTQSA-N 2 2 254.359 0.305 20 0 CCADLP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[NH+](Cc2cccs2)CC1 ZINC000649280424 390547225 /nfs/dbraw/zinc/54/72/25/390547225.db2.gz RABKCAVEKPSSBQ-WDNDVIMCSA-N 2 2 291.420 0.858 20 0 CCADLP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[NH+](Cc2ccsc2)CC1 ZINC000649281815 390548688 /nfs/dbraw/zinc/54/86/88/390548688.db2.gz DUMRBMHJKQNDEI-WDNDVIMCSA-N 2 2 291.420 0.858 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000519834151 390553151 /nfs/dbraw/zinc/55/31/51/390553151.db2.gz QBFGEWQTVVNMBL-NEPJUHHUSA-N 2 2 250.346 0.728 20 0 CCADLP C[C@H](CNC(=O)[C@H]1C[NH2+]CCC1(F)F)Cn1cc[nH+]c1 ZINC000649302361 390561906 /nfs/dbraw/zinc/56/19/06/390561906.db2.gz IMKVXUOPYUOQOU-GHMZBOCLSA-N 2 2 286.326 0.880 20 0 CCADLP CCC[C@H](CC)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000565999365 390564833 /nfs/dbraw/zinc/56/48/33/390564833.db2.gz LLGAAFALGCWDKZ-RYUDHWBXSA-N 2 2 256.394 0.849 20 0 CCADLP CCC[C@H](CC)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000565999365 390564835 /nfs/dbraw/zinc/56/48/35/390564835.db2.gz LLGAAFALGCWDKZ-RYUDHWBXSA-N 2 2 256.394 0.849 20 0 CCADLP C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000566073595 390574159 /nfs/dbraw/zinc/57/41/59/390574159.db2.gz MUDBDRXXYSZIRA-LLVKDONJSA-N 2 2 259.353 0.653 20 0 CCADLP C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000566073595 390574162 /nfs/dbraw/zinc/57/41/62/390574162.db2.gz MUDBDRXXYSZIRA-LLVKDONJSA-N 2 2 259.353 0.653 20 0 CCADLP [NH3+]CCOCC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000649317814 390574757 /nfs/dbraw/zinc/57/47/57/390574757.db2.gz VMRPUOXKYVVAKW-UHFFFAOYSA-N 2 2 293.367 0.012 20 0 CCADLP Cc1cc(NCCCC[NH+]2CCN(C)CC2)nc[nH+]1 ZINC000522138217 390626118 /nfs/dbraw/zinc/62/61/18/390626118.db2.gz PBMWDBPHJWYBSO-UHFFFAOYSA-N 2 2 263.389 0.646 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000523621745 390638689 /nfs/dbraw/zinc/63/86/89/390638689.db2.gz UGCRWQJMNYGZPH-UHFFFAOYSA-N 2 2 288.355 0.732 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000523621745 390638691 /nfs/dbraw/zinc/63/86/91/390638691.db2.gz UGCRWQJMNYGZPH-UHFFFAOYSA-N 2 2 288.355 0.732 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000646216400 390638950 /nfs/dbraw/zinc/63/89/50/390638950.db2.gz ZQGRVZUAKQAWHY-YNEHKIRRSA-N 2 2 286.420 0.474 20 0 CCADLP CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000566849890 390652753 /nfs/dbraw/zinc/65/27/53/390652753.db2.gz YJPZKGUMKPBRKB-TUVASFSCSA-N 2 2 284.400 0.395 20 0 CCADLP O=C(C[C@@H]1C[NH2+]CCO1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000646265398 390654017 /nfs/dbraw/zinc/65/40/17/390654017.db2.gz VVZHIXNXZFQABL-CHWSQXEVSA-N 2 2 290.367 0.155 20 0 CCADLP COCCOC[C@H](O)C[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000649379856 390612197 /nfs/dbraw/zinc/61/21/97/390612197.db2.gz QWOSLEZZYIGZGR-UONOGXRCSA-N 2 2 274.405 0.473 20 0 CCADLP COCCOC[C@H](O)C[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000649379856 390612201 /nfs/dbraw/zinc/61/22/01/390612201.db2.gz QWOSLEZZYIGZGR-UONOGXRCSA-N 2 2 274.405 0.473 20 0 CCADLP CCOc1cccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)n1 ZINC000521900116 390613872 /nfs/dbraw/zinc/61/38/72/390613872.db2.gz CBIOONOZYJAUHR-QWHCGFSZSA-N 2 2 290.367 0.224 20 0 CCADLP CCOc1cccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)n1 ZINC000521900116 390613875 /nfs/dbraw/zinc/61/38/75/390613875.db2.gz CBIOONOZYJAUHR-QWHCGFSZSA-N 2 2 290.367 0.224 20 0 CCADLP Cc1cccn2cc(CCNC(=O)[C@H]3CC[NH2+]3)[nH+]c12 ZINC000646138164 390616322 /nfs/dbraw/zinc/61/63/22/390616322.db2.gz DJSZTVHQIJIAKI-GFCCVEGCSA-N 2 2 258.325 0.663 20 0 CCADLP O=C(NC[C@H]1CCCC[NH2+]1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000646650781 390703634 /nfs/dbraw/zinc/70/36/34/390703634.db2.gz LBKKXKGTKPDFRM-LLVKDONJSA-N 2 2 286.339 0.534 20 0 CCADLP O=C(NCc1ccn2cc[nH+]c2c1)N[C@H]1CCC[NH2+]C1 ZINC000567595594 390705461 /nfs/dbraw/zinc/70/54/61/390705461.db2.gz BXAYYJVHDGMJMT-LBPRGKRZSA-N 2 2 273.340 0.886 20 0 CCADLP C[N@@H+]1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)[C@H](C[NH3+])C1 ZINC000571387552 390733041 /nfs/dbraw/zinc/73/30/41/390733041.db2.gz SDKIKVYGSZOIOT-ZIAGYGMSSA-N 3 2 276.384 0.178 20 0 CCADLP C[N@H+]1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)[C@H](C[NH3+])C1 ZINC000571387552 390733042 /nfs/dbraw/zinc/73/30/42/390733042.db2.gz SDKIKVYGSZOIOT-ZIAGYGMSSA-N 3 2 276.384 0.178 20 0 CCADLP O=C(NCC[NH2+]C1CC1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000646686577 390708772 /nfs/dbraw/zinc/70/87/72/390708772.db2.gz FBNOTQMOQRZTNV-CQSZACIVSA-N 2 2 281.400 0.498 20 0 CCADLP O=C(NCC[NH2+]C1CC1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000646686577 390708773 /nfs/dbraw/zinc/70/87/73/390708773.db2.gz FBNOTQMOQRZTNV-CQSZACIVSA-N 2 2 281.400 0.498 20 0 CCADLP C[N@H+]1CCN(C(=O)c2cccc3[nH]ncc32)[C@@H](C[NH3+])C1 ZINC000571404451 390734082 /nfs/dbraw/zinc/73/40/82/390734082.db2.gz QLWTVKOPTOAGCZ-JTQLQIEISA-N 2 2 273.340 0.278 20 0 CCADLP CC(C)COCCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000646836286 390726817 /nfs/dbraw/zinc/72/68/17/390726817.db2.gz GGCBUNHHQWKYSG-GFCCVEGCSA-N 2 2 257.378 0.150 20 0 CCADLP CC(C)COCCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000646836286 390726818 /nfs/dbraw/zinc/72/68/18/390726818.db2.gz GGCBUNHHQWKYSG-GFCCVEGCSA-N 2 2 257.378 0.150 20 0 CCADLP Cn1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c2ccccc21 ZINC000567057490 390668776 /nfs/dbraw/zinc/66/87/76/390668776.db2.gz GCCVRGKZMJXERI-LBPRGKRZSA-N 2 2 286.379 0.893 20 0 CCADLP Cn1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c2ccccc21 ZINC000567057490 390668777 /nfs/dbraw/zinc/66/87/77/390668777.db2.gz GCCVRGKZMJXERI-LBPRGKRZSA-N 2 2 286.379 0.893 20 0 CCADLP COCC[N@H+](C)CCCNc1nc(N)c2ccccc2[nH+]1 ZINC000527201937 390696104 /nfs/dbraw/zinc/69/61/04/390696104.db2.gz YBADSIJOUMYBFX-UHFFFAOYSA-N 2 2 289.383 0.844 20 0 CCADLP COCC[N@@H+](C)CCCNc1nc(N)c2ccccc2[nH+]1 ZINC000527201937 390696106 /nfs/dbraw/zinc/69/61/06/390696106.db2.gz YBADSIJOUMYBFX-UHFFFAOYSA-N 2 2 289.383 0.844 20 0 CCADLP [NH3+]C[C@H]1CCCN1c1cc(N2CCSCC2)[nH+]cn1 ZINC000571778114 390752872 /nfs/dbraw/zinc/75/28/72/390752872.db2.gz SQWSZGCMXOPYRZ-LLVKDONJSA-N 2 2 279.413 0.957 20 0 CCADLP CC1([NH3+])CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000646993797 390754670 /nfs/dbraw/zinc/75/46/70/390754670.db2.gz JOJBCULVKNJUJL-CQSZACIVSA-N 2 2 295.427 0.970 20 0 CCADLP CC1([NH3+])CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000646993797 390754673 /nfs/dbraw/zinc/75/46/73/390754673.db2.gz JOJBCULVKNJUJL-CQSZACIVSA-N 2 2 295.427 0.970 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000572026820 390764588 /nfs/dbraw/zinc/76/45/88/390764588.db2.gz CVXIKQVOGRDSMM-RYMFRWLXSA-N 2 2 281.400 0.352 20 0 CCADLP [NH3+][C@H](C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)c1c(F)cccc1F ZINC000647057921 390767468 /nfs/dbraw/zinc/76/74/68/390767468.db2.gz BFQUYLAOZDUVGC-UBJUHAIHSA-N 2 2 287.285 0.781 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000572585219 390790694 /nfs/dbraw/zinc/79/06/94/390790694.db2.gz URFKZCOXWYBVJY-UPJWGTAASA-N 2 2 277.372 0.808 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529293138 390802339 /nfs/dbraw/zinc/80/23/39/390802339.db2.gz OKEAGHCWCUQKFT-CHWSQXEVSA-N 2 2 296.415 0.291 20 0 CCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000529301893 390803370 /nfs/dbraw/zinc/80/33/70/390803370.db2.gz JMDWFOXPTJYLCS-ZIAGYGMSSA-N 2 2 298.431 0.347 20 0 CCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000529301893 390803371 /nfs/dbraw/zinc/80/33/71/390803371.db2.gz JMDWFOXPTJYLCS-ZIAGYGMSSA-N 2 2 298.431 0.347 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@]2(CNC(=O)C2)C1)C1CC1 ZINC000571569763 390742070 /nfs/dbraw/zinc/74/20/70/390742070.db2.gz ISVBFJNCUGWDMN-DZGCQCFKSA-N 2 2 281.400 0.044 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@]2(CNC(=O)C2)C1)C1CC1 ZINC000571569763 390742072 /nfs/dbraw/zinc/74/20/72/390742072.db2.gz ISVBFJNCUGWDMN-DZGCQCFKSA-N 2 2 281.400 0.044 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1)C1CC1 ZINC000571569763 390742073 /nfs/dbraw/zinc/74/20/73/390742073.db2.gz ISVBFJNCUGWDMN-DZGCQCFKSA-N 2 2 281.400 0.044 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@]2(CNC(=O)C2)C1)C1CC1 ZINC000571569763 390742075 /nfs/dbraw/zinc/74/20/75/390742075.db2.gz ISVBFJNCUGWDMN-DZGCQCFKSA-N 2 2 281.400 0.044 20 0 CCADLP C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)CC1=O ZINC000571622157 390744666 /nfs/dbraw/zinc/74/46/66/390744666.db2.gz LHYNTRGNJVHQHO-MDZLAQPJSA-N 2 2 291.399 0.585 20 0 CCADLP CCN1CC[NH+]([C@H]2CCN(C(=O)CC[NH2+]C3CC3)C2)CC1 ZINC000578081885 390863876 /nfs/dbraw/zinc/86/38/76/390863876.db2.gz CWTKZMKTEIEMLI-HNNXBMFYSA-N 2 2 294.443 0.367 20 0 CCADLP COc1ccsc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000572975597 390815621 /nfs/dbraw/zinc/81/56/21/390815621.db2.gz YSTVUIVTJMOPBT-VHSXEESVSA-N 2 2 281.381 0.501 20 0 CCADLP COc1ccsc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000572975597 390815625 /nfs/dbraw/zinc/81/56/25/390815625.db2.gz YSTVUIVTJMOPBT-VHSXEESVSA-N 2 2 281.381 0.501 20 0 CCADLP CCOc1ccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)nc1 ZINC000647486167 390823422 /nfs/dbraw/zinc/82/34/22/390823422.db2.gz XPHFGTDYIOZJQW-UHFFFAOYSA-N 2 2 292.383 0.344 20 0 CCADLP CCOc1ccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)nc1 ZINC000647486167 390823425 /nfs/dbraw/zinc/82/34/25/390823425.db2.gz XPHFGTDYIOZJQW-UHFFFAOYSA-N 2 2 292.383 0.344 20 0 CCADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@@H]([NH3+])c1cscn1 ZINC000574919258 390825234 /nfs/dbraw/zinc/82/52/34/390825234.db2.gz SOGDIQSUWCMIFQ-PWSUYJOCSA-N 2 2 282.413 0.943 20 0 CCADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]([NH3+])c1cscn1 ZINC000574919258 390825236 /nfs/dbraw/zinc/82/52/36/390825236.db2.gz SOGDIQSUWCMIFQ-PWSUYJOCSA-N 2 2 282.413 0.943 20 0 CCADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H]([NH3+])c1cscn1 ZINC000574919257 390825309 /nfs/dbraw/zinc/82/53/09/390825309.db2.gz SOGDIQSUWCMIFQ-JQWIXIFHSA-N 2 2 282.413 0.943 20 0 CCADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]([NH3+])c1cscn1 ZINC000574919257 390825312 /nfs/dbraw/zinc/82/53/12/390825312.db2.gz SOGDIQSUWCMIFQ-JQWIXIFHSA-N 2 2 282.413 0.943 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cn(Cc2cccnc2)nn1 ZINC000578358504 390879484 /nfs/dbraw/zinc/87/94/84/390879484.db2.gz DZNJAXLPPJCHHT-NWDGAFQWSA-N 2 2 274.372 0.937 20 0 CCADLP C[N@@H+]1CCN(Cc2ccc(N3CCCC3)nc2)[C@@H](C[NH3+])C1 ZINC000647539285 390837658 /nfs/dbraw/zinc/83/76/58/390837658.db2.gz NRMVAKMSZXVHJK-HNNXBMFYSA-N 2 2 289.427 0.757 20 0 CCADLP C[N@H+]1CCN(Cc2ccc(N3CCCC3)nc2)[C@@H](C[NH3+])C1 ZINC000647539285 390837660 /nfs/dbraw/zinc/83/76/60/390837660.db2.gz NRMVAKMSZXVHJK-HNNXBMFYSA-N 2 2 289.427 0.757 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2ccc(F)cn2)C1 ZINC000529537887 390840840 /nfs/dbraw/zinc/84/08/40/390840840.db2.gz IIQGEKGRBZGEIS-LBPRGKRZSA-N 2 2 294.374 0.898 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc(F)cn2)C1 ZINC000529537887 390840843 /nfs/dbraw/zinc/84/08/43/390840843.db2.gz IIQGEKGRBZGEIS-LBPRGKRZSA-N 2 2 294.374 0.898 20 0 CCADLP Cc1[nH]c(CNC2(CCO)CC[NH+](C)CC2)[nH+]c1C ZINC000577867122 390849841 /nfs/dbraw/zinc/84/98/41/390849841.db2.gz OZXJLZHJNCOVHE-UHFFFAOYSA-N 2 2 266.389 0.963 20 0 CCADLP C[C@@H]([NH2+]C1CC1)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000449086061 533334085 /nfs/dbraw/zinc/33/40/85/533334085.db2.gz BOYAPADQSXNOSD-SNVBAGLBSA-N 2 2 262.357 0.904 20 0 CCADLP COC(=O)CC1CC([NH2+]C[C@H](C)C[NH+]2CCOCC2)C1 ZINC000424295514 533325469 /nfs/dbraw/zinc/32/54/69/533325469.db2.gz FBZXIEKKLPRINY-HSBZDZAISA-N 2 2 284.400 0.886 20 0 CCADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)C(C)(C)n1cncn1 ZINC000453251119 533419614 /nfs/dbraw/zinc/41/96/14/533419614.db2.gz AUTVZNRCDWZLQF-KGLIPLIRSA-N 2 2 295.431 0.838 20 0 CCADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)C(C)(C)n1cncn1 ZINC000453251119 533419620 /nfs/dbraw/zinc/41/96/20/533419620.db2.gz AUTVZNRCDWZLQF-KGLIPLIRSA-N 2 2 295.431 0.838 20 0 CCADLP COC(=O)COC[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000449164719 533545574 /nfs/dbraw/zinc/54/55/74/533545574.db2.gz QTBSNQMFNFTXDO-QWHCGFSZSA-N 2 2 288.388 0.122 20 0 CCADLP C[C@H](CC(=O)N(C)CC[NH+]1CCOCC1)C1CC[NH2+]CC1 ZINC000423738226 533620557 /nfs/dbraw/zinc/62/05/57/533620557.db2.gz FYINMXBOMGRGLN-CQSZACIVSA-N 2 2 297.443 0.803 20 0 CCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000529322605 285445074 /nfs/dbraw/zinc/44/50/74/285445074.db2.gz SOPUBKXMRQXZAC-CHWSQXEVSA-N 2 2 291.399 0.837 20 0 CCADLP C[C@H]([NH2+]CC1([NH3+])CCC1)C(=O)Nc1nccs1 ZINC000342114226 130271882 /nfs/dbraw/zinc/27/18/82/130271882.db2.gz BWGAGPYRBHKQAW-QMMMGPOBSA-N 2 2 254.359 0.941 20 0 CCADLP [NH3+]C1(C[NH2+]CC(=O)N2CC(=O)Nc3ccccc32)CCC1 ZINC000342161898 130353734 /nfs/dbraw/zinc/35/37/34/130353734.db2.gz MDKQIZBJFBBSFO-UHFFFAOYSA-N 2 2 288.351 0.443 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000353455506 285594101 /nfs/dbraw/zinc/59/41/01/285594101.db2.gz XSRXNMDUCRQHTH-QWRGUYRKSA-N 2 2 294.399 0.585 20 0 CCADLP COCc1nnc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)[nH]1 ZINC000658162883 413107410 /nfs/dbraw/zinc/10/74/10/413107410.db2.gz XAJDIMWCKMELDT-SNVBAGLBSA-N 2 2 267.377 0.771 20 0 CCADLP Cc1cccc(C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)n1 ZINC000357391064 144087924 /nfs/dbraw/zinc/08/79/24/144087924.db2.gz OXLKHYXCSKZQPW-UHFFFAOYSA-N 2 2 276.384 0.596 20 0 CCADLP Cc1cccc(C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)n1 ZINC000357391064 144087925 /nfs/dbraw/zinc/08/79/25/144087925.db2.gz OXLKHYXCSKZQPW-UHFFFAOYSA-N 2 2 276.384 0.596 20 0 CCADLP CC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357650616 144109076 /nfs/dbraw/zinc/10/90/76/144109076.db2.gz QEERAVNOALJUNZ-QWHCGFSZSA-N 2 2 285.432 0.678 20 0 CCADLP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357650616 144109077 /nfs/dbraw/zinc/10/90/77/144109077.db2.gz QEERAVNOALJUNZ-QWHCGFSZSA-N 2 2 285.432 0.678 20 0 CCADLP C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000358049403 144145201 /nfs/dbraw/zinc/14/52/01/144145201.db2.gz OFHVQXJEJNFQEO-OAHLLOKOSA-N 2 2 288.351 0.060 20 0 CCADLP C[N@H+]1CC[C@@](O)(CNC(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000358049403 144145203 /nfs/dbraw/zinc/14/52/03/144145203.db2.gz OFHVQXJEJNFQEO-OAHLLOKOSA-N 2 2 288.351 0.060 20 0 CCADLP C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000358051701 144145477 /nfs/dbraw/zinc/14/54/77/144145477.db2.gz RKXLTUCEVKNNSX-CQSZACIVSA-N 2 2 274.324 0.131 20 0 CCADLP C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000358051701 144145479 /nfs/dbraw/zinc/14/54/79/144145479.db2.gz RKXLTUCEVKNNSX-CQSZACIVSA-N 2 2 274.324 0.131 20 0 CCADLP Cc1nc(C)c(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)s1 ZINC000358112873 144152910 /nfs/dbraw/zinc/15/29/10/144152910.db2.gz CLMMHILZBGRXFU-GFCCVEGCSA-N 2 2 255.387 0.916 20 0 CCADLP Cc1nc(C)c(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)s1 ZINC000358112873 144152912 /nfs/dbraw/zinc/15/29/12/144152912.db2.gz CLMMHILZBGRXFU-GFCCVEGCSA-N 2 2 255.387 0.916 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CC2(S(C)(=O)=O)CC2)CC[N@@H+]1C ZINC000359024101 144190608 /nfs/dbraw/zinc/19/06/08/144190608.db2.gz AFKULWNTQINJBA-GHMZBOCLSA-N 2 2 260.403 0.636 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CC2(S(C)(=O)=O)CC2)CC[N@H+]1C ZINC000359024101 144190609 /nfs/dbraw/zinc/19/06/09/144190609.db2.gz AFKULWNTQINJBA-GHMZBOCLSA-N 2 2 260.403 0.636 20 0 CCADLP Cc1nc(NCC2([NH+](C)C)CCOCC2)nc(N(C)C)[nH+]1 ZINC000359166731 144198401 /nfs/dbraw/zinc/19/84/01/144198401.db2.gz LFMLAVMYVWIIJS-UHFFFAOYSA-N 2 2 294.403 0.191 20 0 CCADLP Cc1nc(N2CC[C@H]([NH+]3CCCC3)C2)nc(N(C)C)[nH+]1 ZINC000532626367 285806773 /nfs/dbraw/zinc/80/67/73/285806773.db2.gz ZZTILXHCFJSBSZ-LBPRGKRZSA-N 2 2 276.388 0.921 20 0 CCADLP COC[C@H]1CCCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000368678834 144239760 /nfs/dbraw/zinc/23/97/60/144239760.db2.gz UZUHONDCDRARHV-AWEZNQCLSA-N 2 2 283.416 0.509 20 0 CCADLP COC[C@H]1CCCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000368678834 144239761 /nfs/dbraw/zinc/23/97/61/144239761.db2.gz UZUHONDCDRARHV-AWEZNQCLSA-N 2 2 283.416 0.509 20 0 CCADLP C[C@@H](CO)CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369362983 144265048 /nfs/dbraw/zinc/26/50/48/144265048.db2.gz IOHSIQXTXTTZBJ-OLZOCXBDSA-N 2 2 298.431 0.083 20 0 CCADLP C[C@@H](CO)CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369362983 144265050 /nfs/dbraw/zinc/26/50/50/144265050.db2.gz IOHSIQXTXTTZBJ-OLZOCXBDSA-N 2 2 298.431 0.083 20 0 CCADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)N1CCCC1 ZINC000369612969 144274939 /nfs/dbraw/zinc/27/49/39/144274939.db2.gz GRGBJLWVUXOHGK-CQSZACIVSA-N 2 2 281.400 0.263 20 0 CCADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)N1CCCC1 ZINC000369612969 144274940 /nfs/dbraw/zinc/27/49/40/144274940.db2.gz GRGBJLWVUXOHGK-CQSZACIVSA-N 2 2 281.400 0.263 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000369973715 144285417 /nfs/dbraw/zinc/28/54/17/144285417.db2.gz MJVBLWOPDLSAHS-CYBMUJFWSA-N 2 2 283.416 0.746 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000369973715 144285419 /nfs/dbraw/zinc/28/54/19/144285419.db2.gz MJVBLWOPDLSAHS-CYBMUJFWSA-N 2 2 283.416 0.746 20 0 CCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000370151372 144292226 /nfs/dbraw/zinc/29/22/26/144292226.db2.gz VRFMBQLPJMIKQW-HUUCEWRRSA-N 2 2 296.459 0.469 20 0 CCADLP CC(C)NC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000370151372 144292227 /nfs/dbraw/zinc/29/22/27/144292227.db2.gz VRFMBQLPJMIKQW-HUUCEWRRSA-N 2 2 296.459 0.469 20 0 CCADLP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)NC[C@@H]1CCCO1 ZINC000372169171 144355781 /nfs/dbraw/zinc/35/57/81/144355781.db2.gz LLLHKIRDILXVBK-ZDUSSCGKSA-N 2 2 292.383 0.884 20 0 CCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCCC2(O)CCC2)C1 ZINC000421377735 397530123 /nfs/dbraw/zinc/53/01/23/397530123.db2.gz IAUDFAZHPYFPAN-CYBMUJFWSA-N 2 2 256.390 0.992 20 0 CCADLP COCC[N@H+]1CC[C@@H]([NH2+]CCCC2(O)CCC2)C1 ZINC000421377735 397530126 /nfs/dbraw/zinc/53/01/26/397530126.db2.gz IAUDFAZHPYFPAN-CYBMUJFWSA-N 2 2 256.390 0.992 20 0 CCADLP Cn1cc(CN2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000649414822 397608543 /nfs/dbraw/zinc/60/85/43/397608543.db2.gz ZOJPMEORVLMFPV-CYBMUJFWSA-N 2 2 263.389 0.147 20 0 CCADLP Cn1cc(C[NH+]2CCN(C[C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000649414822 397608546 /nfs/dbraw/zinc/60/85/46/397608546.db2.gz ZOJPMEORVLMFPV-CYBMUJFWSA-N 2 2 263.389 0.147 20 0 CCADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)CC[C@H]1[NH3+] ZINC000649416813 397609519 /nfs/dbraw/zinc/60/95/19/397609519.db2.gz MRRFKMGZMVSPAV-RBSFLKMASA-N 3 2 296.459 0.598 20 0 CCADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)CC[C@H]1[NH3+] ZINC000649416813 397609524 /nfs/dbraw/zinc/60/95/24/397609524.db2.gz MRRFKMGZMVSPAV-RBSFLKMASA-N 3 2 296.459 0.598 20 0 CCADLP COc1c[nH+]ccc1N1CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC000649596272 397643814 /nfs/dbraw/zinc/64/38/14/397643814.db2.gz PRNXWIFUEVLHIZ-LBPRGKRZSA-N 2 2 290.367 0.491 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000649913346 397683173 /nfs/dbraw/zinc/68/31/73/397683173.db2.gz HKYFBXGBFIRKNY-CHWSQXEVSA-N 2 2 265.357 0.841 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000649913346 397683175 /nfs/dbraw/zinc/68/31/75/397683175.db2.gz HKYFBXGBFIRKNY-CHWSQXEVSA-N 2 2 265.357 0.841 20 0 CCADLP CN(CCC[NH+](C)C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548000326 285995896 /nfs/dbraw/zinc/99/58/96/285995896.db2.gz SMOCXPORFZTSFR-GFCCVEGCSA-N 2 2 279.388 0.791 20 0 CCADLP C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000548085099 286003964 /nfs/dbraw/zinc/00/39/64/286003964.db2.gz BBEFKJNWZSLUAY-XGUBFFRZSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000548085099 286003965 /nfs/dbraw/zinc/00/39/65/286003965.db2.gz BBEFKJNWZSLUAY-XGUBFFRZSA-N 2 2 297.443 0.942 20 0 CCADLP C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000548284360 286021859 /nfs/dbraw/zinc/02/18/59/286021859.db2.gz IYBFOCVVBDCORR-CHWSQXEVSA-N 2 2 291.399 0.839 20 0 CCADLP C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000548284360 286021861 /nfs/dbraw/zinc/02/18/61/286021861.db2.gz IYBFOCVVBDCORR-CHWSQXEVSA-N 2 2 291.399 0.839 20 0 CCADLP CS(=O)(=O)C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000550796006 286112103 /nfs/dbraw/zinc/11/21/03/286112103.db2.gz QMBGKYZBHUGKLC-VXGBXAGGSA-N 2 2 283.397 0.611 20 0 CCADLP C[C@@H](CNC(=O)[C@H](C)[NH+]1CC(C)C1)C[NH+]1CCOCC1 ZINC000553144857 286181775 /nfs/dbraw/zinc/18/17/75/286181775.db2.gz ILUNSKWAGNYRMX-JSGCOSHPSA-N 2 2 283.416 0.411 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H](C)[NH+]2CC(C)C2)C[C@H]1C ZINC000553158441 286182585 /nfs/dbraw/zinc/18/25/85/286182585.db2.gz YCOYUGSPXRGLSL-RDBSUJKOSA-N 2 2 283.416 0.240 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H](C)[NH+]2CC(C)C2)C[C@H]1C ZINC000553158441 286182588 /nfs/dbraw/zinc/18/25/88/286182588.db2.gz YCOYUGSPXRGLSL-RDBSUJKOSA-N 2 2 283.416 0.240 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659100849 413281375 /nfs/dbraw/zinc/28/13/75/413281375.db2.gz XTNPYMALAOUIKB-UHFFFAOYSA-N 2 2 292.339 0.416 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)[C@H]1CCOC1 ZINC000155290831 287024924 /nfs/dbraw/zinc/02/49/24/287024924.db2.gz RWMYELCCQVAQPH-QLFBSQMISA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)[C@H]1CCOC1 ZINC000155290831 287024925 /nfs/dbraw/zinc/02/49/25/287024925.db2.gz RWMYELCCQVAQPH-QLFBSQMISA-N 2 2 297.443 0.944 20 0 CCADLP O=C([C@@H]1CCC[NH2+]1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000013479556 170555006 /nfs/dbraw/zinc/55/50/06/170555006.db2.gz FBAPMAZOFDLVQE-AWEZNQCLSA-N 2 2 274.368 0.478 20 0 CCADLP CN(C(=O)C[N@H+](C)CCN1CC[NH2+]CC1)c1ccccc1 ZINC000071150538 411695328 /nfs/dbraw/zinc/69/53/28/411695328.db2.gz QCBCWHXFCSDKKZ-UHFFFAOYSA-N 2 2 290.411 0.486 20 0 CCADLP CN(C(=O)C[N@@H+](C)CCN1CC[NH2+]CC1)c1ccccc1 ZINC000071150538 411695331 /nfs/dbraw/zinc/69/53/31/411695331.db2.gz QCBCWHXFCSDKKZ-UHFFFAOYSA-N 2 2 290.411 0.486 20 0 CCADLP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N[C@H](C)CC)C[C@H]1C[NH3+] ZINC000405539296 411803145 /nfs/dbraw/zinc/80/31/45/411803145.db2.gz QOZHERKVOJWZSN-YVECIDJPSA-N 2 2 271.405 0.585 20 0 CCADLP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)N[C@H](C)CC)C[C@H]1C[NH3+] ZINC000405539296 411803149 /nfs/dbraw/zinc/80/31/49/411803149.db2.gz QOZHERKVOJWZSN-YVECIDJPSA-N 2 2 271.405 0.585 20 0 CCADLP Cc1ccc2[nH+]c(CN3CC[N@@H+]4C[C@H](O)C[C@H]4C3)cn2c1 ZINC000405735658 411803724 /nfs/dbraw/zinc/80/37/24/411803724.db2.gz XXRQLPSQNFKJFM-LSDHHAIUSA-N 2 2 286.379 0.894 20 0 CCADLP Cc1ccc2[nH+]c(CN3CC[N@H+]4C[C@H](O)C[C@H]4C3)cn2c1 ZINC000405735658 411803727 /nfs/dbraw/zinc/80/37/27/411803727.db2.gz XXRQLPSQNFKJFM-LSDHHAIUSA-N 2 2 286.379 0.894 20 0 CCADLP CCO[C@@H]1C[N@H+](CC(=O)NC2CCCC2)C[C@H]1C[NH3+] ZINC000405547756 411804681 /nfs/dbraw/zinc/80/46/81/411804681.db2.gz XNIIWTVITWLBBM-DGCLKSJQSA-N 2 2 269.389 0.341 20 0 CCADLP CCO[C@@H]1C[N@@H+](CC(=O)NC2CCCC2)C[C@H]1C[NH3+] ZINC000405547756 411804684 /nfs/dbraw/zinc/80/46/84/411804684.db2.gz XNIIWTVITWLBBM-DGCLKSJQSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407429441 411808720 /nfs/dbraw/zinc/80/87/20/411808720.db2.gz OPEBTSLRGDBIJO-XBFCOCLRSA-N 2 2 281.400 0.354 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)[C@H](C)O ZINC000521995762 411825894 /nfs/dbraw/zinc/82/58/94/411825894.db2.gz QSFZFITZFXICCJ-AGIUHOORSA-N 2 2 271.405 0.288 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)[C@H](C)O ZINC000521995762 411825898 /nfs/dbraw/zinc/82/58/98/411825898.db2.gz QSFZFITZFXICCJ-AGIUHOORSA-N 2 2 271.405 0.288 20 0 CCADLP C[C@@H](CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)n1cc[nH+]c1 ZINC000651490388 411887239 /nfs/dbraw/zinc/88/72/39/411887239.db2.gz KGHOLPGSKKTJRA-KBPBESRZSA-N 2 2 292.383 0.767 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC[C@]1(O)CCCOC1 ZINC000652045787 411979970 /nfs/dbraw/zinc/97/99/70/411979970.db2.gz FTNRYMWDLWHNPG-VHDGCEQUSA-N 2 2 268.401 0.990 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC[C@]1(O)CCCOC1 ZINC000652045787 411979973 /nfs/dbraw/zinc/97/99/73/411979973.db2.gz FTNRYMWDLWHNPG-VHDGCEQUSA-N 2 2 268.401 0.990 20 0 CCADLP [NH3+]CC1(CCNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000652180112 411997446 /nfs/dbraw/zinc/99/74/46/411997446.db2.gz JKAIZIXCSYTQJH-LLVKDONJSA-N 2 2 277.372 0.626 20 0 CCADLP Cc1ccc(O)c(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)n1 ZINC000651890585 411952952 /nfs/dbraw/zinc/95/29/52/411952952.db2.gz JIWUKKHVSMEBTH-UHFFFAOYSA-N 2 2 292.383 0.301 20 0 CCADLP Cc1ccc(O)c(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)n1 ZINC000651890585 411952957 /nfs/dbraw/zinc/95/29/57/411952957.db2.gz JIWUKKHVSMEBTH-UHFFFAOYSA-N 2 2 292.383 0.301 20 0 CCADLP C[C@H]([NH3+])[C@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000652335965 412029325 /nfs/dbraw/zinc/02/93/25/412029325.db2.gz VZJNQFHNZIXPCI-BLLLJJGKSA-N 3 2 275.396 0.880 20 0 CCADLP C[C@H]([NH3+])[C@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000652335965 412029333 /nfs/dbraw/zinc/02/93/33/412029333.db2.gz VZJNQFHNZIXPCI-BLLLJJGKSA-N 3 2 275.396 0.880 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCN(c2nc(C)cs2)[C@@H](C)C1 ZINC000652338903 412031730 /nfs/dbraw/zinc/03/17/30/412031730.db2.gz LRENQTBFRMEJRQ-JSGCOSHPSA-N 2 2 298.456 0.932 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCN(c2nc(C)cs2)[C@@H](C)C1 ZINC000652338903 412031731 /nfs/dbraw/zinc/03/17/31/412031731.db2.gz LRENQTBFRMEJRQ-JSGCOSHPSA-N 2 2 298.456 0.932 20 0 CCADLP CS(=O)(=O)CCCC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352098 412035441 /nfs/dbraw/zinc/03/54/41/412035441.db2.gz FEILVMWVNKCDIS-STQMWFEESA-N 2 2 274.430 0.872 20 0 CCADLP CS(=O)(=O)CCCC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352098 412035444 /nfs/dbraw/zinc/03/54/44/412035444.db2.gz FEILVMWVNKCDIS-STQMWFEESA-N 2 2 274.430 0.872 20 0 CCADLP CCO[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C[NH3+] ZINC000652356522 412036606 /nfs/dbraw/zinc/03/66/06/412036606.db2.gz OUJZATVFSXAMPL-JHJVBQTASA-N 2 2 290.429 0.107 20 0 CCADLP CCO[C@@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C[C@H]1C[NH3+] ZINC000652356522 412036608 /nfs/dbraw/zinc/03/66/08/412036608.db2.gz OUJZATVFSXAMPL-JHJVBQTASA-N 2 2 290.429 0.107 20 0 CCADLP C[C@@H]1C[NH2+]CCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653046719 412199983 /nfs/dbraw/zinc/19/99/83/412199983.db2.gz LPFSLXSCNFAYRJ-LLVKDONJSA-N 2 2 262.357 0.582 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]2C2CCCC2)[C@H](C[NH3+])C1 ZINC000653055213 412204170 /nfs/dbraw/zinc/20/41/70/412204170.db2.gz XAQPSPAZHBPDDN-MGPQQGTHSA-N 2 2 265.401 0.914 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]2C2CCCC2)[C@H](C[NH3+])C1 ZINC000653055213 412204175 /nfs/dbraw/zinc/20/41/75/412204175.db2.gz XAQPSPAZHBPDDN-MGPQQGTHSA-N 2 2 265.401 0.914 20 0 CCADLP CN(CCOc1ccccc1F)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653062361 412204916 /nfs/dbraw/zinc/20/49/16/412204916.db2.gz YHCSWBUYVCYUIL-CYBMUJFWSA-N 2 2 297.374 0.942 20 0 CCADLP Cc1ccccc1CCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653060596 412205307 /nfs/dbraw/zinc/20/53/07/412205307.db2.gz JBXUBNMNFLHDTA-CQSZACIVSA-N 2 2 263.385 0.933 20 0 CCADLP CC(C)n1nccc1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653058809 412206514 /nfs/dbraw/zinc/20/65/14/412206514.db2.gz HBRTYJPEUFGGMN-JTQLQIEISA-N 2 2 253.350 0.682 20 0 CCADLP CC(C)CCOCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653075114 412210265 /nfs/dbraw/zinc/21/02/65/412210265.db2.gz GAUWYWIPPFONOX-LBPRGKRZSA-N 2 2 259.394 0.444 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C[C@@H](C)O1 ZINC000653079043 412210272 /nfs/dbraw/zinc/21/02/72/412210272.db2.gz REDIMBMONTXHSD-UTUOFQBUSA-N 2 2 257.378 0.291 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCC(=O)NC1CCCCC1 ZINC000653075601 412210322 /nfs/dbraw/zinc/21/03/22/412210322.db2.gz UCLUQAXWSWDCGB-ZDUSSCGKSA-N 2 2 298.431 0.221 20 0 CCADLP CCc1cnc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)s1 ZINC000653080445 412211417 /nfs/dbraw/zinc/21/14/17/412211417.db2.gz HXWFXHQFFPUSOB-SECBINFHSA-N 2 2 256.375 0.923 20 0 CCADLP COc1ccc(CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1F ZINC000653086642 412212492 /nfs/dbraw/zinc/21/24/92/412212492.db2.gz YIWNVCMXXQCEBZ-ZDUSSCGKSA-N 2 2 297.374 0.772 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1n[nH]c2ccc(F)cc21 ZINC000653086376 412212572 /nfs/dbraw/zinc/21/25/72/412212572.db2.gz PJLZXSAOERNOTF-SNVBAGLBSA-N 2 2 279.319 0.341 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC2(CC2(F)F)CC1 ZINC000653201707 412257452 /nfs/dbraw/zinc/25/74/52/412257452.db2.gz UTUJLYCGYCHLHB-SNVBAGLBSA-N 2 2 275.343 0.913 20 0 CCADLP C[C@H]1CCC[N@H+](CCCCNC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653110377 412221413 /nfs/dbraw/zinc/22/14/13/412221413.db2.gz GAQWBUZBZMHVHK-LSDHHAIUSA-N 3 2 298.475 0.894 20 0 CCADLP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653110377 412221416 /nfs/dbraw/zinc/22/14/16/412221416.db2.gz GAQWBUZBZMHVHK-LSDHHAIUSA-N 3 2 298.475 0.894 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000653112454 412224032 /nfs/dbraw/zinc/22/40/32/412224032.db2.gz ZDGXMGQUHYCXRY-HUUCEWRRSA-N 3 2 296.459 0.742 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCCNc1ccccc1 ZINC000653113977 412225458 /nfs/dbraw/zinc/22/54/58/412225458.db2.gz UDCWPNIHBUKQJP-AWEZNQCLSA-N 2 2 278.400 0.884 20 0 CCADLP Cc1noc2ncc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc12 ZINC000653116293 412226358 /nfs/dbraw/zinc/22/63/58/412226358.db2.gz BAMMRHODIXNNOK-LLVKDONJSA-N 2 2 277.328 0.749 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)CCO1 ZINC000653114807 412226512 /nfs/dbraw/zinc/22/65/12/412226512.db2.gz XIQRVJLOBRHHKN-BNOWGMLFSA-N 2 2 281.400 0.354 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)CCO1 ZINC000653114807 412226514 /nfs/dbraw/zinc/22/65/14/412226514.db2.gz XIQRVJLOBRHHKN-BNOWGMLFSA-N 2 2 281.400 0.354 20 0 CCADLP CCc1nc(CCNC(=O)[C@H]([NH3+])CC[NH+](C)C)cs1 ZINC000653114469 412226548 /nfs/dbraw/zinc/22/65/48/412226548.db2.gz JDPVCUFANFDXGA-LLVKDONJSA-N 2 2 284.429 0.643 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000653117800 412227911 /nfs/dbraw/zinc/22/79/11/412227911.db2.gz WEIAQKMRLKJSEZ-VIRABCJISA-N 2 2 295.427 0.742 20 0 CCADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653123486 412231326 /nfs/dbraw/zinc/23/13/26/412231326.db2.gz ZTGRLZCXUAXTCV-ZIAGYGMSSA-N 3 2 284.448 0.456 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653123486 412231328 /nfs/dbraw/zinc/23/13/28/412231328.db2.gz ZTGRLZCXUAXTCV-ZIAGYGMSSA-N 3 2 284.448 0.456 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000653122358 412231338 /nfs/dbraw/zinc/23/13/38/412231338.db2.gz UTWSWJRLGSETBK-LSDHHAIUSA-N 3 2 296.459 0.600 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000653148948 412241490 /nfs/dbraw/zinc/24/14/90/412241490.db2.gz RGCUZWAHUSFWMR-RUXDESIVSA-N 3 2 284.448 0.502 20 0 CCADLP CN1CCc2ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc21 ZINC000653148625 412241911 /nfs/dbraw/zinc/24/19/11/412241911.db2.gz GFPDOKRVJSSIKN-CYBMUJFWSA-N 2 2 276.384 0.896 20 0 CCADLP CCOC[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(C)C ZINC000653151312 412242950 /nfs/dbraw/zinc/24/29/50/412242950.db2.gz CNCRMDWKJNWFHA-NWDGAFQWSA-N 2 2 259.394 0.443 20 0 CCADLP COc1ccc2c(c1)[nH]nc2NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653150828 412243698 /nfs/dbraw/zinc/24/36/98/412243698.db2.gz QJHPORCNLNQHNL-LLVKDONJSA-N 2 2 291.355 0.211 20 0 CCADLP COCC[C@@H]1CCCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653159382 412246784 /nfs/dbraw/zinc/24/67/84/412246784.db2.gz AUMZSJYVFDWBCX-KBPBESRZSA-N 2 2 285.432 0.931 20 0 CCADLP CCCN(CC[NH+](C)C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653168499 412251061 /nfs/dbraw/zinc/25/10/61/412251061.db2.gz CZZHQNAFYSMURB-GFCCVEGCSA-N 3 2 258.410 0.066 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1C1CC1 ZINC000653543514 412314600 /nfs/dbraw/zinc/31/46/00/412314600.db2.gz QKDFWRLIHWHPSC-KGLIPLIRSA-N 2 2 256.390 0.800 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1C1CC1 ZINC000653543514 412314602 /nfs/dbraw/zinc/31/46/02/412314602.db2.gz QKDFWRLIHWHPSC-KGLIPLIRSA-N 2 2 256.390 0.800 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1C1CC1 ZINC000653543514 412314606 /nfs/dbraw/zinc/31/46/06/412314606.db2.gz QKDFWRLIHWHPSC-KGLIPLIRSA-N 2 2 256.390 0.800 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1C1CC1 ZINC000653543514 412314608 /nfs/dbraw/zinc/31/46/08/412314608.db2.gz QKDFWRLIHWHPSC-KGLIPLIRSA-N 2 2 256.390 0.800 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](n2ccnc2)C1 ZINC000653547546 412315959 /nfs/dbraw/zinc/31/59/59/412315959.db2.gz OWHVGYKWHWYBSG-GJZGRUSLSA-N 2 2 296.415 0.459 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](n2ccnc2)C1 ZINC000653547546 412315963 /nfs/dbraw/zinc/31/59/63/412315963.db2.gz OWHVGYKWHWYBSG-GJZGRUSLSA-N 2 2 296.415 0.459 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000653547546 412315966 /nfs/dbraw/zinc/31/59/66/412315966.db2.gz OWHVGYKWHWYBSG-GJZGRUSLSA-N 2 2 296.415 0.459 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000653547546 412315968 /nfs/dbraw/zinc/31/59/68/412315968.db2.gz OWHVGYKWHWYBSG-GJZGRUSLSA-N 2 2 296.415 0.459 20 0 CCADLP Cc1nc(N2CC[NH+](CCCC(=O)N(C)C)CC2)cc[nH+]1 ZINC000653617473 412325103 /nfs/dbraw/zinc/32/51/03/412325103.db2.gz JHNXMUDWKWPPEK-UHFFFAOYSA-N 2 2 291.399 0.775 20 0 CCADLP Cn1cnnc1N1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000653823700 412352448 /nfs/dbraw/zinc/35/24/48/412352448.db2.gz LPKYLFAZOLCZCW-ZDUSSCGKSA-N 2 2 278.404 0.421 20 0 CCADLP Cn1cnnc1N1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000653823700 412352452 /nfs/dbraw/zinc/35/24/52/412352452.db2.gz LPKYLFAZOLCZCW-ZDUSSCGKSA-N 2 2 278.404 0.421 20 0 CCADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC000654068415 412371417 /nfs/dbraw/zinc/37/14/17/412371417.db2.gz JZAZOGSJDAGRHU-TXEJJXNPSA-N 2 2 250.346 0.730 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000654737020 412434443 /nfs/dbraw/zinc/43/44/43/412434443.db2.gz JTBNUBUVHYKPDX-MNOVXSKESA-N 2 2 250.346 0.799 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000654737020 412434445 /nfs/dbraw/zinc/43/44/45/412434445.db2.gz JTBNUBUVHYKPDX-MNOVXSKESA-N 2 2 250.346 0.799 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000654737020 412434446 /nfs/dbraw/zinc/43/44/46/412434446.db2.gz JTBNUBUVHYKPDX-MNOVXSKESA-N 2 2 250.346 0.799 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000654737020 412434447 /nfs/dbraw/zinc/43/44/47/412434447.db2.gz JTBNUBUVHYKPDX-MNOVXSKESA-N 2 2 250.346 0.799 20 0 CCADLP C[C@@H](NC(=O)NCC12CC(C1)C[NH2+]2)[C@H](C)[NH+]1CCOCC1 ZINC000659450286 413510447 /nfs/dbraw/zinc/51/04/47/413510447.db2.gz KFDQUCGDBOPVTM-ATAKMUTHSA-N 2 2 296.415 0.147 20 0 CCADLP O=C(NC[C@@H]1CCCC[NH2+]1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659507315 413566267 /nfs/dbraw/zinc/56/62/67/413566267.db2.gz HWNCOYVVOIXNKQ-KBPBESRZSA-N 2 2 296.415 0.245 20 0 CCADLP C[C@@H](NC(=O)N[C@H](CC[NH3+])C(F)F)c1[nH+]ccn1C ZINC000659550495 413640461 /nfs/dbraw/zinc/64/04/61/413640461.db2.gz QSCRMQGFUPVUPG-HTQZYQBOSA-N 2 2 275.303 0.763 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCc3ccccc32)[C@H](C[NH3+])C1 ZINC000659595542 413680103 /nfs/dbraw/zinc/68/01/03/413680103.db2.gz IEZDQIJWQSXDPN-UKRRQHHQSA-N 2 2 288.395 0.958 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCc3ccccc32)[C@H](C[NH3+])C1 ZINC000659595542 413680109 /nfs/dbraw/zinc/68/01/09/413680109.db2.gz IEZDQIJWQSXDPN-UKRRQHHQSA-N 2 2 288.395 0.958 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCc3ccccc32)[C@@H](C[NH3+])C1 ZINC000659595540 413680941 /nfs/dbraw/zinc/68/09/41/413680941.db2.gz IEZDQIJWQSXDPN-DZGCQCFKSA-N 2 2 288.395 0.958 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCc3ccccc32)[C@@H](C[NH3+])C1 ZINC000659595540 413680950 /nfs/dbraw/zinc/68/09/50/413680950.db2.gz IEZDQIJWQSXDPN-DZGCQCFKSA-N 2 2 288.395 0.958 20 0 CCADLP C[C@H](NC(=O)N1CC[C@H]([NH3+])[C@H](C)C1)c1[nH+]ccn1C ZINC000659628013 413724761 /nfs/dbraw/zinc/72/47/61/413724761.db2.gz JTSWLUNIZSCFBB-VWYCJHECSA-N 2 2 265.361 0.860 20 0 CCADLP C[C@H](NC(=O)N(C)CC(C)(C)[NH3+])c1[nH+]ccn1C ZINC000659627655 413725060 /nfs/dbraw/zinc/72/50/60/413725060.db2.gz HOJAKBVQDTUVMV-VIFPVBQESA-N 2 2 253.350 0.860 20 0 CCADLP C[C@H](NC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C)c1[nH+]ccn1C ZINC000659628274 413726529 /nfs/dbraw/zinc/72/65/29/413726529.db2.gz NZPBMKNZAMZUOJ-DCAQKATOSA-N 2 2 265.361 0.873 20 0 CCADLP COC[C@H](C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1)OC ZINC000660130471 414137533 /nfs/dbraw/zinc/13/75/33/414137533.db2.gz XEHWMFSRLJXQSB-RYUDHWBXSA-N 2 2 253.346 0.871 20 0 CCADLP COC[C@H](C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1)OC ZINC000660130471 414137541 /nfs/dbraw/zinc/13/75/41/414137541.db2.gz XEHWMFSRLJXQSB-RYUDHWBXSA-N 2 2 253.346 0.871 20 0 CCADLP COC[C@@H](C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1)OC ZINC000660130472 414140848 /nfs/dbraw/zinc/14/08/48/414140848.db2.gz XEHWMFSRLJXQSB-VXGBXAGGSA-N 2 2 253.346 0.871 20 0 CCADLP COC[C@@H](C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1)OC ZINC000660130472 414140857 /nfs/dbraw/zinc/14/08/57/414140857.db2.gz XEHWMFSRLJXQSB-VXGBXAGGSA-N 2 2 253.346 0.871 20 0 CCADLP CCN1OC[C@@H]([N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1=O ZINC000660129525 414141110 /nfs/dbraw/zinc/14/11/10/414141110.db2.gz QXODOIWFCRBLKZ-WDEREUQCSA-N 2 2 264.329 0.372 20 0 CCADLP CCN1OC[C@@H]([N@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1=O ZINC000660129525 414141116 /nfs/dbraw/zinc/14/11/16/414141116.db2.gz QXODOIWFCRBLKZ-WDEREUQCSA-N 2 2 264.329 0.372 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cn(C)cn1 ZINC000660139618 414145079 /nfs/dbraw/zinc/14/50/79/414145079.db2.gz WTKVMSFGQJOADP-UHFFFAOYSA-N 2 2 279.432 0.878 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cn(C)cn1 ZINC000660139618 414145085 /nfs/dbraw/zinc/14/50/85/414145085.db2.gz WTKVMSFGQJOADP-UHFFFAOYSA-N 2 2 279.432 0.878 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@]1(C)C(N)=O ZINC000660277024 414222911 /nfs/dbraw/zinc/22/29/11/414222911.db2.gz UFLONKDJXJGCFJ-OCCSQVGLSA-N 2 2 271.405 0.417 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@]1(C)C(N)=O ZINC000660277024 414222917 /nfs/dbraw/zinc/22/29/17/414222917.db2.gz UFLONKDJXJGCFJ-OCCSQVGLSA-N 2 2 271.405 0.417 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000660277024 414222919 /nfs/dbraw/zinc/22/29/19/414222919.db2.gz UFLONKDJXJGCFJ-OCCSQVGLSA-N 2 2 271.405 0.417 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000660277024 414222924 /nfs/dbraw/zinc/22/29/24/414222924.db2.gz UFLONKDJXJGCFJ-OCCSQVGLSA-N 2 2 271.405 0.417 20 0 CCADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2cncs2)CC1 ZINC000660165950 414178046 /nfs/dbraw/zinc/17/80/46/414178046.db2.gz XSDCCCRAMALDON-UHFFFAOYSA-N 2 2 297.424 0.802 20 0 CCADLP Cc1cn2c([nH+]1)CN(C[C@@H](O)C[N@@H+](C)C(C)C)CC2 ZINC000660242608 414208798 /nfs/dbraw/zinc/20/87/98/414208798.db2.gz QQRPIFZWEZMUIT-ZDUSSCGKSA-N 2 2 266.389 0.708 20 0 CCADLP Cc1cn2c([nH+]1)CN(C[C@@H](O)C[N@H+](C)C(C)C)CC2 ZINC000660242608 414208817 /nfs/dbraw/zinc/20/88/17/414208817.db2.gz QQRPIFZWEZMUIT-ZDUSSCGKSA-N 2 2 266.389 0.708 20 0 CCADLP CCNC(=O)CC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660472237 414344129 /nfs/dbraw/zinc/34/41/29/414344129.db2.gz IICGGEBQXKQVBY-CQSZACIVSA-N 2 2 283.416 0.699 20 0 CCADLP CCNC(=O)CC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660472237 414344137 /nfs/dbraw/zinc/34/41/37/414344137.db2.gz IICGGEBQXKQVBY-CQSZACIVSA-N 2 2 283.416 0.699 20 0 CCADLP O=C1C[C@H](C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CN1 ZINC000660475068 414348156 /nfs/dbraw/zinc/34/81/56/414348156.db2.gz QGLZKLUBUACQCW-UONOGXRCSA-N 2 2 281.400 0.309 20 0 CCADLP O=C1C[C@H](C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CN1 ZINC000660475068 414348163 /nfs/dbraw/zinc/34/81/63/414348163.db2.gz QGLZKLUBUACQCW-UONOGXRCSA-N 2 2 281.400 0.309 20 0 CCADLP CN1CC[C@@H]([N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000660658618 414432808 /nfs/dbraw/zinc/43/28/08/414432808.db2.gz HXVDFUYWZHYETA-OCCSQVGLSA-N 2 2 251.374 0.635 20 0 CCADLP CN1CC[C@@H]([N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000660658618 414432810 /nfs/dbraw/zinc/43/28/10/414432810.db2.gz HXVDFUYWZHYETA-OCCSQVGLSA-N 2 2 251.374 0.635 20 0 CCADLP CN1CC[C@@H]([NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)C1=O ZINC000660658618 414432815 /nfs/dbraw/zinc/43/28/15/414432815.db2.gz HXVDFUYWZHYETA-OCCSQVGLSA-N 2 2 251.374 0.635 20 0 CCADLP CN1CC[C@@H]([NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000660658618 414432820 /nfs/dbraw/zinc/43/28/20/414432820.db2.gz HXVDFUYWZHYETA-OCCSQVGLSA-N 2 2 251.374 0.635 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000660827399 414493124 /nfs/dbraw/zinc/49/31/24/414493124.db2.gz KRPWEOWXANNJTO-GFCCVEGCSA-N 2 2 297.403 0.749 20 0 CCADLP C[N@H+](CCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC000660841803 414502079 /nfs/dbraw/zinc/50/20/79/414502079.db2.gz RYGNBTFTNKIQFK-AWEZNQCLSA-N 2 2 296.415 0.197 20 0 CCADLP C[N@@H+](CCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC000660841803 414502080 /nfs/dbraw/zinc/50/20/80/414502080.db2.gz RYGNBTFTNKIQFK-AWEZNQCLSA-N 2 2 296.415 0.197 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000661362896 414606242 /nfs/dbraw/zinc/60/62/42/414606242.db2.gz XFTBQSFNKJRYQX-KLPPZKSPSA-N 2 2 265.361 0.891 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000661362896 414606246 /nfs/dbraw/zinc/60/62/46/414606246.db2.gz XFTBQSFNKJRYQX-KLPPZKSPSA-N 2 2 265.361 0.891 20 0 CCADLP C[C@@H](CO)[C@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000661438775 414627887 /nfs/dbraw/zinc/62/78/87/414627887.db2.gz WJERWAHECBPFCL-UONOGXRCSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@@H](CO)[C@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000661438775 414627890 /nfs/dbraw/zinc/62/78/90/414627890.db2.gz WJERWAHECBPFCL-UONOGXRCSA-N 2 2 283.416 0.243 20 0 CCADLP CO[C@]1(CO)CCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000661386014 414610118 /nfs/dbraw/zinc/61/01/18/414610118.db2.gz BZMHMLNUUFGUQL-CYBMUJFWSA-N 2 2 253.346 0.436 20 0 CCADLP CO[C@]1(CO)CCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000661386014 414610121 /nfs/dbraw/zinc/61/01/21/414610121.db2.gz BZMHMLNUUFGUQL-CYBMUJFWSA-N 2 2 253.346 0.436 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000662261286 414701797 /nfs/dbraw/zinc/70/17/97/414701797.db2.gz HIUXTQUKHIFMIH-QWHCGFSZSA-N 2 2 291.399 0.392 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000662261286 414701798 /nfs/dbraw/zinc/70/17/98/414701798.db2.gz HIUXTQUKHIFMIH-QWHCGFSZSA-N 2 2 291.399 0.392 20 0 CCADLP C(C[NH+]1CCCC1)OC1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662266094 414703435 /nfs/dbraw/zinc/70/34/35/414703435.db2.gz XJWPSWXXEUOHIU-INIZCTEOSA-N 3 2 297.443 0.552 20 0 CCADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1coc(S(N)(=O)=O)c1 ZINC000662278653 414705036 /nfs/dbraw/zinc/70/50/36/414705036.db2.gz ZZINCWPAGVTXFF-JTQLQIEISA-N 2 2 287.385 0.405 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000662282670 414705799 /nfs/dbraw/zinc/70/57/99/414705799.db2.gz PUZWVPDFUUHNFG-CYBMUJFWSA-N 2 2 270.373 0.104 20 0 CCADLP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662281238 414705884 /nfs/dbraw/zinc/70/58/84/414705884.db2.gz KQQOEKUSIKKIHQ-RBSFLKMASA-N 3 2 283.416 0.193 20 0 CCADLP C[C@@H]1CCC[C@@H](CC[N@H+](CC[NH3+])C[C@H](O)CO)C1 ZINC000662288283 414707106 /nfs/dbraw/zinc/70/71/06/414707106.db2.gz NMKOYLYSXMVYFG-RDBSUJKOSA-N 2 2 258.406 0.817 20 0 CCADLP C[C@@H]1CCC[C@@H](CC[N@@H+](CC[NH3+])C[C@H](O)CO)C1 ZINC000662288283 414707107 /nfs/dbraw/zinc/70/71/07/414707107.db2.gz NMKOYLYSXMVYFG-RDBSUJKOSA-N 2 2 258.406 0.817 20 0 CCADLP Cc1cc(C)c(C[N@H+](CC[NH3+])C[C@H](O)CO)c(C)c1 ZINC000662289664 414707191 /nfs/dbraw/zinc/70/71/91/414707191.db2.gz VBRYLAXXZILBHF-AWEZNQCLSA-N 2 2 266.385 0.726 20 0 CCADLP Cc1cc(C)c(C[N@@H+](CC[NH3+])C[C@H](O)CO)c(C)c1 ZINC000662289664 414707192 /nfs/dbraw/zinc/70/71/92/414707192.db2.gz VBRYLAXXZILBHF-AWEZNQCLSA-N 2 2 266.385 0.726 20 0 CCADLP CCCNC(=O)[C@H](C)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321192 414709290 /nfs/dbraw/zinc/70/92/90/414709290.db2.gz ZEKUKKKZGWMXNR-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP CCCNC(=O)[C@H](C)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321192 414709291 /nfs/dbraw/zinc/70/92/91/414709291.db2.gz ZEKUKKKZGWMXNR-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP CC(C)(C)n1nnc(CC[N@@H+]2CCC[NH2+]CC2)n1 ZINC000662241018 414698454 /nfs/dbraw/zinc/69/84/54/414698454.db2.gz PDPIGLNLZJZTQC-UHFFFAOYSA-N 2 2 252.366 0.266 20 0 CCADLP CC(C)(C)n1nnc(CC[N@H+]2CCC[NH2+]CC2)n1 ZINC000662241018 414698455 /nfs/dbraw/zinc/69/84/55/414698455.db2.gz PDPIGLNLZJZTQC-UHFFFAOYSA-N 2 2 252.366 0.266 20 0 CCADLP NC(=O)CC[N@@H+](Cc1ccccc1)C[C@@H]1C[NH2+]CCO1 ZINC000662248764 414699090 /nfs/dbraw/zinc/69/90/90/414699090.db2.gz JFAKXCNHVQHXEC-AWEZNQCLSA-N 2 2 277.368 0.352 20 0 CCADLP NC(=O)CC[N@H+](Cc1ccccc1)C[C@@H]1C[NH2+]CCO1 ZINC000662248764 414699091 /nfs/dbraw/zinc/69/90/91/414699091.db2.gz JFAKXCNHVQHXEC-AWEZNQCLSA-N 2 2 277.368 0.352 20 0 CCADLP O=C([C@@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1)N1CCCC1 ZINC000662254491 414699867 /nfs/dbraw/zinc/69/98/67/414699867.db2.gz IVGYDIOBZVRFHS-ZIAGYGMSSA-N 2 2 281.400 0.309 20 0 CCADLP O=C([C@@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1)N1CCCC1 ZINC000662254491 414699868 /nfs/dbraw/zinc/69/98/68/414699868.db2.gz IVGYDIOBZVRFHS-ZIAGYGMSSA-N 2 2 281.400 0.309 20 0 CCADLP CCCNC(=O)[C@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662256508 414700781 /nfs/dbraw/zinc/70/07/81/414700781.db2.gz IOYNFSZMMMVUSQ-QWHCGFSZSA-N 2 2 269.389 0.213 20 0 CCADLP CCCNC(=O)[C@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662256508 414700782 /nfs/dbraw/zinc/70/07/82/414700782.db2.gz IOYNFSZMMMVUSQ-QWHCGFSZSA-N 2 2 269.389 0.213 20 0 CCADLP O[C@H]([C@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]CCO1)C(F)(F)F ZINC000662256975 414700893 /nfs/dbraw/zinc/70/08/93/414700893.db2.gz KVXOQAAHJFOUIA-IVZWLZJFSA-N 2 2 268.279 0.362 20 0 CCADLP O[C@H]([C@H]1CCC[N@H+]1C[C@@H]1C[NH2+]CCO1)C(F)(F)F ZINC000662256975 414700894 /nfs/dbraw/zinc/70/08/94/414700894.db2.gz KVXOQAAHJFOUIA-IVZWLZJFSA-N 2 2 268.279 0.362 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000662354732 414711540 /nfs/dbraw/zinc/71/15/40/414711540.db2.gz BEQPTCUBPMKFLF-CQSZACIVSA-N 2 2 276.384 0.724 20 0 CCADLP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000662396651 414714280 /nfs/dbraw/zinc/71/42/80/414714280.db2.gz ZKLQGHJVVNKCPH-ZDUSSCGKSA-N 2 2 269.389 0.293 20 0 CCADLP CN(CC(C)(C)[NH3+])C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000662607435 414731969 /nfs/dbraw/zinc/73/19/69/414731969.db2.gz ACPPPBXZSXPFPF-UHFFFAOYSA-N 2 2 274.328 0.472 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C2CC[NH2+]CC2)[C@H](C)CO1 ZINC000662632028 414734778 /nfs/dbraw/zinc/73/47/78/414734778.db2.gz WQINIAYFIJNRSM-VXGBXAGGSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2CC[NH2+]CC2)[C@H](C)CO1 ZINC000662632028 414734779 /nfs/dbraw/zinc/73/47/79/414734779.db2.gz WQINIAYFIJNRSM-VXGBXAGGSA-N 2 2 269.389 0.211 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000662632864 414735206 /nfs/dbraw/zinc/73/52/06/414735206.db2.gz VEQXMDRITJLMAV-GDBMZVCRSA-N 3 2 298.475 0.894 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000662632864 414735207 /nfs/dbraw/zinc/73/52/07/414735207.db2.gz VEQXMDRITJLMAV-GDBMZVCRSA-N 3 2 298.475 0.894 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000662632329 414735435 /nfs/dbraw/zinc/73/54/35/414735435.db2.gz CBDXSDJQUXEFHK-FVCCEPFGSA-N 2 2 269.389 0.210 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000662632329 414735436 /nfs/dbraw/zinc/73/54/36/414735436.db2.gz CBDXSDJQUXEFHK-FVCCEPFGSA-N 2 2 269.389 0.210 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]([NH3+])C2CCC2)[C@H](C)CO1 ZINC000662636486 414736115 /nfs/dbraw/zinc/73/61/15/414736115.db2.gz YUZLIDJXOCGPDX-NQBHXWOUSA-N 2 2 269.389 0.339 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]([NH3+])C2CCC2)[C@H](C)CO1 ZINC000662636486 414736116 /nfs/dbraw/zinc/73/61/16/414736116.db2.gz YUZLIDJXOCGPDX-NQBHXWOUSA-N 2 2 269.389 0.339 20 0 CCADLP O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662656689 414737462 /nfs/dbraw/zinc/73/74/62/414737462.db2.gz RPWZDKPNJXCILU-KFWWJZLASA-N 2 2 293.411 0.450 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)C1(O)C[NH2+]C1)c1ccccc1Cl ZINC000662664843 414738682 /nfs/dbraw/zinc/73/86/82/414738682.db2.gz VQULCDJKUYPDEE-LBPRGKRZSA-N 2 2 297.786 0.393 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2[NH2+]CCC2(C)C)CCO1 ZINC000662702071 414743211 /nfs/dbraw/zinc/74/32/11/414743211.db2.gz WRIDWDCTJBWZOL-RYUDHWBXSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2[NH2+]CCC2(C)C)CCO1 ZINC000662702071 414743212 /nfs/dbraw/zinc/74/32/12/414743212.db2.gz WRIDWDCTJBWZOL-RYUDHWBXSA-N 2 2 269.389 0.211 20 0 CCADLP COc1ccccc1[C@@H]1C[C@H]1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000662702225 414743772 /nfs/dbraw/zinc/74/37/72/414743772.db2.gz IGWUSZWSNXGYSI-BFHYXJOUSA-N 2 2 291.395 0.946 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662714264 414745608 /nfs/dbraw/zinc/74/56/08/414745608.db2.gz CRUORVWMYBJHLV-JTQLQIEISA-N 2 2 296.371 0.319 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662714264 414745609 /nfs/dbraw/zinc/74/56/09/414745609.db2.gz CRUORVWMYBJHLV-JTQLQIEISA-N 2 2 296.371 0.319 20 0 CCADLP C[C@@H](NC(=O)C1([NH2+]C2CC2)CCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000662719689 414745985 /nfs/dbraw/zinc/74/59/85/414745985.db2.gz AMCARAAJZYUKGC-CHWSQXEVSA-N 2 2 295.427 0.887 20 0 CCADLP O=C(NCC12CC(C1)C[NH2+]2)c1cc(-n2cc[nH+]c2)ccn1 ZINC000662718321 414746032 /nfs/dbraw/zinc/74/60/32/414746032.db2.gz YHJHKPAXMKEDKF-UHFFFAOYSA-N 2 2 283.335 0.749 20 0 CCADLP [NH3+][C@H](C(=O)NCC12CC(C1)C[NH2+]2)c1c(F)cccc1F ZINC000662717585 414746069 /nfs/dbraw/zinc/74/60/69/414746069.db2.gz AKMGWQSICIZXOC-ZAQGZADTSA-N 2 2 281.306 0.833 20 0 CCADLP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000662734357 414747997 /nfs/dbraw/zinc/74/79/97/414747997.db2.gz FUNYETJVQSCSPY-QWRGUYRKSA-N 2 2 260.297 0.637 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)C1([NH2+]C2CC2)CCC1 ZINC000662789465 414795643 /nfs/dbraw/zinc/79/56/43/414795643.db2.gz XSVASYBHLLCEMV-UHFFFAOYSA-N 2 2 281.400 0.452 20 0 CCADLP O=C(NCc1ccc[nH+]c1N1CCCC1)[C@@H]1CSC[NH2+]1 ZINC000662850111 414839488 /nfs/dbraw/zinc/83/94/88/414839488.db2.gz NLGFOPJHRJVVHQ-LBPRGKRZSA-N 2 2 292.408 0.961 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCC(C)(C)[NH3+] ZINC000662857149 414849700 /nfs/dbraw/zinc/84/97/00/414849700.db2.gz GATBFDXXXWKBIK-UHFFFAOYSA-N 3 2 272.437 0.504 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCC(C)(C)[NH3+] ZINC000662857149 414849702 /nfs/dbraw/zinc/84/97/02/414849702.db2.gz GATBFDXXXWKBIK-UHFFFAOYSA-N 3 2 272.437 0.504 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000662857399 414850007 /nfs/dbraw/zinc/85/00/07/414850007.db2.gz LZQCZRCATLVSPF-CYBMUJFWSA-N 3 2 270.421 0.128 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000662857399 414850012 /nfs/dbraw/zinc/85/00/12/414850012.db2.gz LZQCZRCATLVSPF-CYBMUJFWSA-N 3 2 270.421 0.128 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2[NH2+]CCC2(C)C)[C@@H](C)CO1 ZINC000662859464 414850853 /nfs/dbraw/zinc/85/08/53/414850853.db2.gz NCRRLFWXVIQGFD-XQQFMLRXSA-N 2 2 283.416 0.600 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2[NH2+]CCC2(C)C)[C@@H](C)CO1 ZINC000662859464 414850856 /nfs/dbraw/zinc/85/08/56/414850856.db2.gz NCRRLFWXVIQGFD-XQQFMLRXSA-N 2 2 283.416 0.600 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CCCC[NH2+]2)[C@@H](C)CO1 ZINC000662860503 414852359 /nfs/dbraw/zinc/85/23/59/414852359.db2.gz SCCHEDXSVFJZDC-YNEHKIRRSA-N 2 2 269.389 0.354 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CCCC[NH2+]2)[C@@H](C)CO1 ZINC000662860503 414852364 /nfs/dbraw/zinc/85/23/64/414852364.db2.gz SCCHEDXSVFJZDC-YNEHKIRRSA-N 2 2 269.389 0.354 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662870734 414855431 /nfs/dbraw/zinc/85/54/31/414855431.db2.gz NBOUEDFPTQDTCR-UPJWGTAASA-N 2 2 269.389 0.293 20 0 CCADLP CC(C)(C)[C@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662871323 414856025 /nfs/dbraw/zinc/85/60/25/414856025.db2.gz XIZCSSNALYUAFI-NWDGAFQWSA-N 2 2 269.389 0.293 20 0 CCADLP COC[C@]1(C(=O)N[C@@H](C)c2[nH+]ccn2C)CC[NH2+]C1 ZINC000662935601 414906914 /nfs/dbraw/zinc/90/69/14/414906914.db2.gz WNDUPLXJDURLHI-GWCFXTLKSA-N 2 2 266.345 0.223 20 0 CCADLP [NH3+][C@H]1C[C@H](C(=O)N(CC[NH+]2CCOCC2)CC2CC2)C1 ZINC000662910073 414884113 /nfs/dbraw/zinc/88/41/13/414884113.db2.gz KCUHPSJHHQNKTL-HDJSIYSDSA-N 2 2 281.400 0.295 20 0 CCADLP C[C@@H](NC(=O)CC1CC[NH2+]CC1)c1[nH+]ccn1C ZINC000662933703 414901546 /nfs/dbraw/zinc/90/15/46/414901546.db2.gz KEQMCOWZQYBTTP-SNVBAGLBSA-N 2 2 250.346 0.987 20 0 CCADLP COCC1(C(=O)N[C@H](C)c2[nH+]ccn2C)CC[NH2+]CC1 ZINC000662934364 414902040 /nfs/dbraw/zinc/90/20/40/414902040.db2.gz NQQWLJXLCUQBEV-LLVKDONJSA-N 2 2 280.372 0.614 20 0 CCADLP CNC(=O)c1ccc(C[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000663501174 415080305 /nfs/dbraw/zinc/08/03/05/415080305.db2.gz BUQXDFSBZMQXLE-UHFFFAOYSA-N 2 2 259.353 0.888 20 0 CCADLP [NH3+][C@@H]1CN(c2cc(NC3CC3)[nH+]cn2)CC[C@H]1F ZINC000663277396 415034524 /nfs/dbraw/zinc/03/45/24/415034524.db2.gz NUEDSYDQMBXAMZ-NXEZZACHSA-N 2 2 251.309 0.926 20 0 CCADLP O=C(Nc1ccccc1-n1cc[nH+]c1)[C@@H]1C[NH2+]CCO1 ZINC000043714012 175103950 /nfs/dbraw/zinc/10/39/50/175103950.db2.gz FZAVNLHZROGSRG-ZDUSSCGKSA-N 2 2 272.308 0.799 20 0 CCADLP Cc1cc(CO)cc(N2CC[N@@H+](CCO)C[C@@H]2C)[nH+]1 ZINC000663989078 415194073 /nfs/dbraw/zinc/19/40/73/415194073.db2.gz MMEKWSXATDPCNJ-LBPRGKRZSA-N 2 2 265.357 0.385 20 0 CCADLP Cc1cc(CO)cc(N2CC[N@H+](CCO)C[C@@H]2C)[nH+]1 ZINC000663989078 415194077 /nfs/dbraw/zinc/19/40/77/415194077.db2.gz MMEKWSXATDPCNJ-LBPRGKRZSA-N 2 2 265.357 0.385 20 0 CCADLP C[C@H]1CC[C@@H]1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664891467 415484161 /nfs/dbraw/zinc/48/41/61/415484161.db2.gz NFQQNFBEWFWOCI-STQMWFEESA-N 2 2 270.421 0.968 20 0 CCADLP C[C@H]1CC[C@@H]1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664891467 415484173 /nfs/dbraw/zinc/48/41/73/415484173.db2.gz NFQQNFBEWFWOCI-STQMWFEESA-N 2 2 270.421 0.968 20 0 CCADLP CCN(C(=O)N[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CC[N@@H+](C)C1 ZINC000664714301 415453903 /nfs/dbraw/zinc/45/39/03/415453903.db2.gz UYZZHOMTRLLHJI-QWHCGFSZSA-N 2 2 291.399 0.934 20 0 CCADLP CCn1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])nn1 ZINC000665245979 415575641 /nfs/dbraw/zinc/57/56/41/415575641.db2.gz WBSQHQOBPGVCCV-ZMLRMANQSA-N 2 2 253.350 0.140 20 0 CCADLP CCS(=O)(=O)C1(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000665276078 415586003 /nfs/dbraw/zinc/58/60/03/415586003.db2.gz XZVJHJPXVVKFLN-QWRGUYRKSA-N 2 2 260.403 0.684 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000665275812 415586677 /nfs/dbraw/zinc/58/66/77/415586677.db2.gz RWUBNNQEUFRDHV-SGMGOOAPSA-N 3 2 255.406 0.955 20 0 CCADLP C([NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C12CC(C1)C[NH2+]2 ZINC000665280358 415588213 /nfs/dbraw/zinc/58/82/13/415588213.db2.gz ZLXKOXVAGUSXLF-QFSHSQKFSA-N 3 2 265.401 0.485 20 0 CCADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000665295772 415589981 /nfs/dbraw/zinc/58/99/81/415589981.db2.gz ITUWLTNNNQDQDE-MNOVXSKESA-N 2 2 260.345 0.921 20 0 CCADLP C[C@@H]1CCC[N@H+](CCCS(=O)(=O)N(C)C)[C@H]1C[NH3+] ZINC000430570331 287348179 /nfs/dbraw/zinc/34/81/79/287348179.db2.gz GFDUTYVBJSQNTL-NEPJUHHUSA-N 2 2 277.434 0.327 20 0 CCADLP C[C@@H]1CCC[N@@H+](CCCS(=O)(=O)N(C)C)[C@H]1C[NH3+] ZINC000430570331 287348182 /nfs/dbraw/zinc/34/81/82/287348182.db2.gz GFDUTYVBJSQNTL-NEPJUHHUSA-N 2 2 277.434 0.327 20 0 CCADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)C1CC[NH+](C)CC1 ZINC000068801653 544449228 /nfs/dbraw/zinc/44/92/28/544449228.db2.gz IHLNPRUPIKLOPX-HIFRSBDPSA-N 3 2 268.449 0.552 20 0 CCADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)C1CC[NH+](C)CC1 ZINC000068801653 544449230 /nfs/dbraw/zinc/44/92/30/544449230.db2.gz IHLNPRUPIKLOPX-HIFRSBDPSA-N 3 2 268.449 0.552 20 0 CCADLP CC[NH+](CC)CCNC(=O)NCCn1cc[nH+]c1 ZINC000079028704 544471898 /nfs/dbraw/zinc/47/18/98/544471898.db2.gz HCROHAMGSMEPEJ-UHFFFAOYSA-N 2 2 253.350 0.524 20 0 CCADLP [NH3+]Cc1ccc(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)o1 ZINC000094567721 544545517 /nfs/dbraw/zinc/54/55/17/544545517.db2.gz JETCQJLVTXBGCZ-ZDUSSCGKSA-N 2 2 293.367 0.675 20 0 CCADLP COCC[N@@H+]1CCCN(C(=O)c2csc(C[NH3+])n2)CC1 ZINC000090931176 544524860 /nfs/dbraw/zinc/52/48/60/544524860.db2.gz LGOUJOGRHIDZRN-UHFFFAOYSA-N 2 2 298.412 0.396 20 0 CCADLP COCC[N@H+]1CCCN(C(=O)c2csc(C[NH3+])n2)CC1 ZINC000090931176 544524863 /nfs/dbraw/zinc/52/48/63/544524863.db2.gz LGOUJOGRHIDZRN-UHFFFAOYSA-N 2 2 298.412 0.396 20 0 CCADLP C[C@@H](O)CNc1cc(NC[C@@H]2COCC[N@@H+]2C)nc[nH+]1 ZINC000624621161 419419786 /nfs/dbraw/zinc/41/97/86/419419786.db2.gz VTQIOYUBXVECFP-GHMZBOCLSA-N 2 2 281.360 0.012 20 0 CCADLP C[C@@H](O)CNc1cc(NC[C@@H]2COCC[N@H+]2C)nc[nH+]1 ZINC000624621161 419419802 /nfs/dbraw/zinc/41/98/02/419419802.db2.gz VTQIOYUBXVECFP-GHMZBOCLSA-N 2 2 281.360 0.012 20 0 CCADLP Cc1cc(NC(=O)CC[NH+]2CCC([NH2+]CCO)CC2)no1 ZINC000631864509 419491511 /nfs/dbraw/zinc/49/15/11/419491511.db2.gz PTDVGQMRFAJRSW-UHFFFAOYSA-N 2 2 296.371 0.358 20 0 CCADLP CC(C)c1nc(NC[C@@H]2COCC[NH2+]2)nc(N(C)C)[nH+]1 ZINC000630532864 419468709 /nfs/dbraw/zinc/46/87/09/419468709.db2.gz NDMBHKPDBYYHAS-SNVBAGLBSA-N 2 2 280.376 0.461 20 0 CCADLP CC[C@@H](C(=O)N1CCN(Cc2[nH+]ccn2C)CC1)[NH+](C)C ZINC000164396344 544718950 /nfs/dbraw/zinc/71/89/50/544718950.db2.gz DIGPJXIMGABAEX-ZDUSSCGKSA-N 2 2 293.415 0.405 20 0 CCADLP CCc1cc(NC2CC[NH+](CC(=O)NC)CC2)nc(C)[nH+]1 ZINC000180427175 544755484 /nfs/dbraw/zinc/75/54/84/544755484.db2.gz MRWRLZWKZUKXNO-UHFFFAOYSA-N 2 2 291.399 0.970 20 0 CCADLP CS(=O)(=O)N[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000183171028 544765812 /nfs/dbraw/zinc/76/58/12/544765812.db2.gz ZZVYGHIZOCAQKU-LBPRGKRZSA-N 2 2 286.401 0.287 20 0 CCADLP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000230978433 544858915 /nfs/dbraw/zinc/85/89/15/544858915.db2.gz BBAMCOGTUJBYDG-VXGBXAGGSA-N 2 2 253.390 0.975 20 0 CCADLP CC(C)(C)[NH2+]CC[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000230978433 544858918 /nfs/dbraw/zinc/85/89/18/544858918.db2.gz BBAMCOGTUJBYDG-VXGBXAGGSA-N 2 2 253.390 0.975 20 0 CCADLP Cc1nc(NC[C@@H](C)N2CC[NH+](C)CC2)nc(N(C)C)[nH+]1 ZINC000488369764 420307131 /nfs/dbraw/zinc/30/71/31/420307131.db2.gz SXZYZLDXKGZHIQ-LLVKDONJSA-N 2 2 293.419 0.294 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000493915722 420315791 /nfs/dbraw/zinc/31/57/91/420315791.db2.gz FOKQTJBTFBLZEO-NWDGAFQWSA-N 2 2 295.387 0.137 20 0 CCADLP CC(C)NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250741639 544923749 /nfs/dbraw/zinc/92/37/49/544923749.db2.gz LNGAFCSHJATWFF-QWHCGFSZSA-N 2 2 253.390 0.975 20 0 CCADLP CC(C)NC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250741639 544923754 /nfs/dbraw/zinc/92/37/54/544923754.db2.gz LNGAFCSHJATWFF-QWHCGFSZSA-N 2 2 253.390 0.975 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000251635602 544927140 /nfs/dbraw/zinc/92/71/40/544927140.db2.gz RONCFKOHCRIETN-RWMBFGLXSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000251635602 544927146 /nfs/dbraw/zinc/92/71/46/544927146.db2.gz RONCFKOHCRIETN-RWMBFGLXSA-N 2 2 269.389 0.341 20 0 CCADLP Cc1cc(N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)nc(C)[nH+]1 ZINC000251702998 544927590 /nfs/dbraw/zinc/92/75/90/544927590.db2.gz KBGHPYQTDQIOSW-RYUDHWBXSA-N 2 2 264.373 0.985 20 0 CCADLP Cc1cc(N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)nc(C)[nH+]1 ZINC000251702998 544927595 /nfs/dbraw/zinc/92/75/95/544927595.db2.gz KBGHPYQTDQIOSW-RYUDHWBXSA-N 2 2 264.373 0.985 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCc1c[nH+]cn1C ZINC000291117565 544972135 /nfs/dbraw/zinc/97/21/35/544972135.db2.gz DDAHMWGOPXDYNH-LBPRGKRZSA-N 2 2 250.346 0.911 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)NCc1c[nH+]cn1C ZINC000291117565 544972141 /nfs/dbraw/zinc/97/21/41/544972141.db2.gz DDAHMWGOPXDYNH-LBPRGKRZSA-N 2 2 250.346 0.911 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@@](C)(CO)c1ccccc1)C1CC1 ZINC000312355833 545013384 /nfs/dbraw/zinc/01/33/84/545013384.db2.gz KOBSRAWJEMOGRK-HOTGVXAUSA-N 2 2 278.396 0.939 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@](C)(CO)c1ccccc1)C1CC1 ZINC000312355833 545013385 /nfs/dbraw/zinc/01/33/85/545013385.db2.gz KOBSRAWJEMOGRK-HOTGVXAUSA-N 2 2 278.396 0.939 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CN(C)CC[NH+]2C)CC[N@@H+]1C ZINC000332930117 545036534 /nfs/dbraw/zinc/03/65/34/545036534.db2.gz PSZVEGCRXXVESM-RDBSUJKOSA-N 2 2 297.447 0.014 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CN(C)CC[NH+]2C)CC[N@H+]1C ZINC000332930117 545036535 /nfs/dbraw/zinc/03/65/35/545036535.db2.gz PSZVEGCRXXVESM-RDBSUJKOSA-N 2 2 297.447 0.014 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)CC[NH+]1C ZINC000332930117 545036536 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VWLRQHZEJBEJCC-RYUDHWBXSA-N 2 2 262.419 0.931 20 0 CCADLP CCC1(O)CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000336792490 276220859 /nfs/dbraw/zinc/22/08/59/276220859.db2.gz SHSOZTIJRJGLAR-CYBMUJFWSA-N 2 2 256.390 0.678 20 0 CCADLP CCC1(O)CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000336792490 276220861 /nfs/dbraw/zinc/22/08/61/276220861.db2.gz SHSOZTIJRJGLAR-CYBMUJFWSA-N 2 2 256.390 0.678 20 0 CCADLP C([NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)[C@H]1C[NH2+]CCO1 ZINC000423541202 276817123 /nfs/dbraw/zinc/81/71/23/276817123.db2.gz AMDBTICOFQFERE-FVCCEPFGSA-N 2 2 252.358 0.522 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCCCO3)C2)CC1 ZINC000374654498 277027384 /nfs/dbraw/zinc/02/73/84/277027384.db2.gz IDGGSIQCWQCWEL-CYBMUJFWSA-N 2 2 296.415 0.892 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCCCO3)C2)CC1 ZINC000374654498 277027385 /nfs/dbraw/zinc/02/73/85/277027385.db2.gz IDGGSIQCWQCWEL-CYBMUJFWSA-N 2 2 296.415 0.892 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN2CCOC[C@@H]2C1 ZINC000348778409 277060607 /nfs/dbraw/zinc/06/06/07/277060607.db2.gz XREDFUONBSRJHJ-KGLIPLIRSA-N 2 2 253.390 0.487 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN2CCOC[C@@H]2C1 ZINC000348778409 277060609 /nfs/dbraw/zinc/06/06/09/277060609.db2.gz XREDFUONBSRJHJ-KGLIPLIRSA-N 2 2 253.390 0.487 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000348778409 277060610 /nfs/dbraw/zinc/06/06/10/277060610.db2.gz XREDFUONBSRJHJ-KGLIPLIRSA-N 2 2 253.390 0.487 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000348778409 277060611 /nfs/dbraw/zinc/06/06/11/277060611.db2.gz XREDFUONBSRJHJ-KGLIPLIRSA-N 2 2 253.390 0.487 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN2C(=O)OC[C@@H]2C1 ZINC000371196991 277060842 /nfs/dbraw/zinc/06/08/42/277060842.db2.gz HDJPWICEESUSHX-NEPJUHHUSA-N 2 2 253.346 0.607 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN2C(=O)OC[C@@H]2C1 ZINC000371196991 277060843 /nfs/dbraw/zinc/06/08/43/277060843.db2.gz HDJPWICEESUSHX-NEPJUHHUSA-N 2 2 253.346 0.607 20 0 CCADLP 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/nfs/dbraw/zinc/19/73/69/277197369.db2.gz KVYARIHVWWZVDD-RWMBFGLXSA-N 2 2 274.368 0.466 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000331665731 277236468 /nfs/dbraw/zinc/23/64/68/277236468.db2.gz PHGOIHPTTKQJKN-RISCZKNCSA-N 2 2 282.388 0.248 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000331665731 277236470 /nfs/dbraw/zinc/23/64/70/277236470.db2.gz PHGOIHPTTKQJKN-RISCZKNCSA-N 2 2 282.388 0.248 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000331665731 277236471 /nfs/dbraw/zinc/23/64/71/277236471.db2.gz PHGOIHPTTKQJKN-RISCZKNCSA-N 2 2 282.388 0.248 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000331665731 277236472 /nfs/dbraw/zinc/23/64/72/277236472.db2.gz PHGOIHPTTKQJKN-RISCZKNCSA-N 2 2 282.388 0.248 20 0 CCADLP C[NH2+]CC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000082256443 277263880 /nfs/dbraw/zinc/26/38/80/277263880.db2.gz GUHRLRQJLSYAPW-GFCCVEGCSA-N 2 2 262.357 0.506 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cn1cc[nH+]c1 ZINC000287440579 278015880 /nfs/dbraw/zinc/01/58/80/278015880.db2.gz RARBZRRZDVAXBK-OLZOCXBDSA-N 2 2 278.356 0.205 20 0 CCADLP CS[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1[NH+](C)C ZINC000287836945 278148717 /nfs/dbraw/zinc/14/87/17/278148717.db2.gz WYVORMRQNIJUCR-WDEREUQCSA-N 2 2 282.413 0.846 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000091510469 278264305 /nfs/dbraw/zinc/26/43/05/278264305.db2.gz ZMCDOYIWDVNREN-GJZGRUSLSA-N 2 2 267.417 0.877 20 0 CCADLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)[C@@H]1CCCOC1 ZINC000356900220 278265394 /nfs/dbraw/zinc/26/53/94/278265394.db2.gz OQHLYJCVDYIOKW-MJBXVCDLSA-N 2 2 255.406 0.637 20 0 CCADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)[C@@H]1CCCOC1 ZINC000356900220 278265396 /nfs/dbraw/zinc/26/53/96/278265396.db2.gz OQHLYJCVDYIOKW-MJBXVCDLSA-N 2 2 255.406 0.637 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000360328301 288079059 /nfs/dbraw/zinc/07/90/59/288079059.db2.gz FKQGUPCUFOFLGE-UKRRQHHQSA-N 3 2 269.433 0.763 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000360328301 288079061 /nfs/dbraw/zinc/07/90/61/288079061.db2.gz FKQGUPCUFOFLGE-UKRRQHHQSA-N 3 2 269.433 0.763 20 0 CCADLP CCC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000167318255 278865702 /nfs/dbraw/zinc/86/57/02/278865702.db2.gz YRYHASBIDAAGLL-ZIAGYGMSSA-N 2 2 283.416 0.827 20 0 CCADLP C[C@@H]1C[C@H](C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CC[NH2+]1 ZINC000300195259 278943167 /nfs/dbraw/zinc/94/31/67/278943167.db2.gz GKIHIGWENHWGFE-MCIONIFRSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000358180017 288092213 /nfs/dbraw/zinc/09/22/13/288092213.db2.gz RVELCZHDMRWILE-WOPDTQHZSA-N 2 2 253.390 0.926 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000358180017 288092214 /nfs/dbraw/zinc/09/22/14/288092214.db2.gz RVELCZHDMRWILE-WOPDTQHZSA-N 2 2 253.390 0.926 20 0 CCADLP CC(C)C[C@@H]([NH3+])CN1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000414684553 278995847 /nfs/dbraw/zinc/99/58/47/278995847.db2.gz VXUQYCKDHOVVJM-UONOGXRCSA-N 2 2 296.459 0.645 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261833541 279238535 /nfs/dbraw/zinc/23/85/35/279238535.db2.gz ZBFJKXDTVHQJOU-MFKMUULPSA-N 2 2 263.345 0.474 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261833541 279238536 /nfs/dbraw/zinc/23/85/36/279238536.db2.gz ZBFJKXDTVHQJOU-MFKMUULPSA-N 2 2 263.345 0.474 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000420419775 279346220 /nfs/dbraw/zinc/34/62/20/279346220.db2.gz XRGSASQDKYMJDO-KKUMJFAQSA-N 3 2 296.459 0.456 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000420419775 279346222 /nfs/dbraw/zinc/34/62/22/279346222.db2.gz XRGSASQDKYMJDO-KKUMJFAQSA-N 3 2 296.459 0.456 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH2+]Cc3ccccc32)C1 ZINC000428913460 279388409 /nfs/dbraw/zinc/38/84/09/279388409.db2.gz UPHOQIQBAXURAK-HNNXBMFYSA-N 2 2 289.379 0.844 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH2+]Cc3ccccc32)C1 ZINC000428913460 279388411 /nfs/dbraw/zinc/38/84/11/279388411.db2.gz UPHOQIQBAXURAK-HNNXBMFYSA-N 2 2 289.379 0.844 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)CC2(CCOCC2)O1 ZINC000352365618 288184296 /nfs/dbraw/zinc/18/42/96/288184296.db2.gz UOTQEEUPGFUZFT-HIFRSBDPSA-N 2 2 298.427 0.711 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)CC2(CCOCC2)O1 ZINC000352365618 288184298 /nfs/dbraw/zinc/18/42/98/288184298.db2.gz UOTQEEUPGFUZFT-HIFRSBDPSA-N 2 2 298.427 0.711 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC2(CCOCC2)O1 ZINC000352365618 288184300 /nfs/dbraw/zinc/18/43/00/288184300.db2.gz UOTQEEUPGFUZFT-HIFRSBDPSA-N 2 2 298.427 0.711 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC2(CCOCC2)O1 ZINC000352365618 288184301 /nfs/dbraw/zinc/18/43/01/288184301.db2.gz UOTQEEUPGFUZFT-HIFRSBDPSA-N 2 2 298.427 0.711 20 0 CCADLP O=C([C@@H]1CSC[NH2+]1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000165555077 280108456 /nfs/dbraw/zinc/10/84/56/280108456.db2.gz MMMVXJIIGBHPJT-ZJUUUORDSA-N 2 2 266.370 0.778 20 0 CCADLP Cc1cccc2[nH+]c(CN3CCO[C@@H]4C[NH2+]C[C@@H]43)cn21 ZINC000420407964 281316888 /nfs/dbraw/zinc/31/68/88/281316888.db2.gz TVTRNXFVQFZBNS-UONOGXRCSA-N 2 2 272.352 0.815 20 0 CCADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CC[C@H]2CCNC2=O)CC1 ZINC000516085525 288341522 /nfs/dbraw/zinc/34/15/22/288341522.db2.gz KZZBMUQOESZIDR-ZIAGYGMSSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CC[C@H]2CCNC2=O)CC1 ZINC000516085525 288341525 /nfs/dbraw/zinc/34/15/25/288341525.db2.gz KZZBMUQOESZIDR-ZIAGYGMSSA-N 2 2 295.427 0.698 20 0 CCADLP CN1CC[N@H+](C)[C@@H](CNC(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000445867004 289051118 /nfs/dbraw/zinc/05/11/18/289051118.db2.gz RCYQJHRJPXSCBU-ZDUSSCGKSA-N 2 2 297.447 0.016 20 0 CCADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000445867004 289051121 /nfs/dbraw/zinc/05/11/21/289051121.db2.gz RCYQJHRJPXSCBU-ZDUSSCGKSA-N 2 2 297.447 0.016 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000336714929 289196084 /nfs/dbraw/zinc/19/60/84/289196084.db2.gz RCJCPGYFNJGTPT-LBPRGKRZSA-N 2 2 274.430 0.695 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000336714929 289196087 /nfs/dbraw/zinc/19/60/87/289196087.db2.gz RCJCPGYFNJGTPT-LBPRGKRZSA-N 2 2 274.430 0.695 20 0 CCADLP CN(C)S(=O)(=O)c1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422821107 289268455 /nfs/dbraw/zinc/26/84/55/289268455.db2.gz UKJVFWPILDJHHE-QWHCGFSZSA-N 2 2 297.424 0.906 20 0 CCADLP C[C@H](C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC000343479332 289280612 /nfs/dbraw/zinc/28/06/12/289280612.db2.gz QRLIBHIBJFCORM-UKRRQHHQSA-N 2 2 281.400 0.309 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000417029851 289618335 /nfs/dbraw/zinc/61/83/35/289618335.db2.gz OIJYWGRAXMCQHM-MCIONIFRSA-N 2 2 298.431 0.524 20 0 CCADLP C[NH+]1CCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000253235906 290028485 /nfs/dbraw/zinc/02/84/85/290028485.db2.gz NBINSOUKDJOQOR-LALPHHSUSA-N 2 2 281.400 0.293 20 0 CCADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCOCC3)C2)C1 ZINC000346295699 290184578 /nfs/dbraw/zinc/18/45/78/290184578.db2.gz MTILPHGQCAHDLU-MRXNPFEDSA-N 2 2 295.427 0.651 20 0 CCADLP C[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCOCC3)C2)C1 ZINC000346295699 290184580 /nfs/dbraw/zinc/18/45/80/290184580.db2.gz MTILPHGQCAHDLU-MRXNPFEDSA-N 2 2 295.427 0.651 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422884934 295111806 /nfs/dbraw/zinc/11/18/06/295111806.db2.gz GAPSBAWIBGCEET-RDBSUJKOSA-N 3 2 282.432 0.576 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422884934 295111808 /nfs/dbraw/zinc/11/18/08/295111808.db2.gz GAPSBAWIBGCEET-RDBSUJKOSA-N 3 2 282.432 0.576 20 0 CCADLP COc1ncccc1CC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423141729 295465490 /nfs/dbraw/zinc/46/54/90/295465490.db2.gz RMEAPSQQDAWTRG-LSDHHAIUSA-N 2 2 291.395 0.989 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@](C)(CO)c1ccccc1 ZINC000388620332 545086448 /nfs/dbraw/zinc/08/64/48/545086448.db2.gz STLBUHBLUYNLTC-HUUCEWRRSA-N 2 2 266.385 0.796 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@](C)(CO)c1ccccc1 ZINC000388620332 545086449 /nfs/dbraw/zinc/08/64/49/545086449.db2.gz STLBUHBLUYNLTC-HUUCEWRRSA-N 2 2 266.385 0.796 20 0 CCADLP O=C(CCC1CC[NH2+]CC1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394377716 545088124 /nfs/dbraw/zinc/08/81/24/545088124.db2.gz DXWSNEIBFAYDSR-HNNXBMFYSA-N 2 2 294.443 0.272 20 0 CCADLP O=C(CCC1CC[NH2+]CC1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000394377716 545088125 /nfs/dbraw/zinc/08/81/25/545088125.db2.gz DXWSNEIBFAYDSR-HNNXBMFYSA-N 2 2 294.443 0.272 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCSCC1 ZINC000336382425 298052987 /nfs/dbraw/zinc/05/29/87/298052987.db2.gz CICNAXYFQISSIB-CHWSQXEVSA-N 2 2 283.441 0.730 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCSCC1 ZINC000336382425 298052990 /nfs/dbraw/zinc/05/29/90/298052990.db2.gz CICNAXYFQISSIB-CHWSQXEVSA-N 2 2 283.441 0.730 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365403104 298121988 /nfs/dbraw/zinc/12/19/88/298121988.db2.gz LLUKXUGXUDJJNT-DGCLKSJQSA-N 2 2 296.415 0.779 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365403104 298121990 /nfs/dbraw/zinc/12/19/90/298121990.db2.gz LLUKXUGXUDJJNT-DGCLKSJQSA-N 2 2 296.415 0.779 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])C[NH+]1CCOCC1 ZINC000422773620 298783701 /nfs/dbraw/zinc/78/37/01/298783701.db2.gz YZZCPRSVGZBCCK-HZSPNIEDSA-N 3 2 255.406 0.672 20 0 CCADLP COC[C@]1(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC[NH2+]C1 ZINC000388396945 327877490 /nfs/dbraw/zinc/87/74/90/327877490.db2.gz XBKGWBMQNUOYTC-AAEUAGOBSA-N 2 2 266.345 0.014 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCCNC(=O)C(C)(C)C)[C@@H](C[NH3+])C1 ZINC000582485684 329096560 /nfs/dbraw/zinc/09/65/60/329096560.db2.gz ZWKJVNNQOBOGLG-LBPRGKRZSA-N 2 2 298.431 0.030 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@H](C)[C@H](C)N2CCOCC2)n1C ZINC000582615979 329118064 /nfs/dbraw/zinc/11/80/64/329118064.db2.gz CDWGSPZCONITHF-NEPJUHHUSA-N 2 2 266.389 0.927 20 0 CCADLP CC(C)[NH+]1CCC(O)(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC000582140767 328218778 /nfs/dbraw/zinc/21/87/78/328218778.db2.gz LPEAKZWQMDCHJX-UHFFFAOYSA-N 2 2 294.399 0.314 20 0 CCADLP C[N@@H+]1CCO[C@H]2CN(CC[NH+]3CCCCC3)C[C@H]21 ZINC000336732271 328219521 /nfs/dbraw/zinc/21/95/21/328219521.db2.gz RZCRRYULIGLUSX-KGLIPLIRSA-N 2 2 253.390 0.487 20 0 CCADLP C[N@H+]1CCO[C@H]2CN(CC[NH+]3CCCCC3)C[C@H]21 ZINC000336732271 328219522 /nfs/dbraw/zinc/21/95/22/328219522.db2.gz RZCRRYULIGLUSX-KGLIPLIRSA-N 2 2 253.390 0.487 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC(C)=C[C@@H](C)C1 ZINC000582912701 329287641 /nfs/dbraw/zinc/28/76/41/329287641.db2.gz CDKFFTCOFSHBMQ-TZMCWYRMSA-N 2 2 256.390 0.824 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC(C)=C[C@@H](C)C1 ZINC000582912701 329287642 /nfs/dbraw/zinc/28/76/42/329287642.db2.gz CDKFFTCOFSHBMQ-TZMCWYRMSA-N 2 2 256.390 0.824 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC(C)=C[C@@H](C)C1 ZINC000582912701 329287643 /nfs/dbraw/zinc/28/76/43/329287643.db2.gz CDKFFTCOFSHBMQ-TZMCWYRMSA-N 2 2 256.390 0.824 20 0 CCADLP CC[C@@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000575320969 335093230 /nfs/dbraw/zinc/09/32/30/335093230.db2.gz PCMAPRSOJFFLBX-TUAOUCFPSA-N 2 2 275.418 0.141 20 0 CCADLP CC[C@H]([NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1)[C@@H](C)O ZINC000584173159 327057477 /nfs/dbraw/zinc/05/74/77/327057477.db2.gz WPRWQWFGQQSLSN-HPCHECBXSA-N 2 2 274.405 0.206 20 0 CCADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000566187930 327160615 /nfs/dbraw/zinc/16/06/15/327160615.db2.gz MCCLFWDCERYTFE-WDEREUQCSA-N 2 2 286.339 0.485 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCNc1cccc[nH+]1 ZINC000573483066 327183445 /nfs/dbraw/zinc/18/34/45/327183445.db2.gz IGERGJGMLUAOCZ-RYUDHWBXSA-N 2 2 262.357 0.998 20 0 CCADLP COCC[C@H](C)[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000583435759 327362217 /nfs/dbraw/zinc/36/22/17/327362217.db2.gz CNLZXKHFZZVJNX-XUXIUFHCSA-N 2 2 274.405 0.471 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])c1cscn1 ZINC000579587568 327392748 /nfs/dbraw/zinc/39/27/48/327392748.db2.gz AAHDUQUJDVAITB-MWLCHTKSSA-N 2 2 268.386 0.743 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])c1cscn1 ZINC000579587568 327392749 /nfs/dbraw/zinc/39/27/49/327392749.db2.gz AAHDUQUJDVAITB-MWLCHTKSSA-N 2 2 268.386 0.743 20 0 CCADLP [NH3+]Cc1cc(C(=O)N2CC[NH2+]C[C@@H]2c2ccncc2)co1 ZINC000579593814 327393710 /nfs/dbraw/zinc/39/37/10/327393710.db2.gz AUTPVYAUWDTIHM-CQSZACIVSA-N 2 2 286.335 0.920 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@H](CO)[C@H]2CCCOC2)n1C ZINC000581380882 327535413 /nfs/dbraw/zinc/53/54/13/327535413.db2.gz HXYBMXBVKNTRSM-WCQYABFASA-N 2 2 253.346 0.606 20 0 CCADLP [NH3+]Cc1nc(C(=O)NCC[N@H+]2CC=CCC2)cs1 ZINC000392843682 329040585 /nfs/dbraw/zinc/04/05/85/329040585.db2.gz VSNQFKXLSVJVKX-UHFFFAOYSA-N 2 2 266.370 0.594 20 0 CCADLP [NH3+]Cc1nc(C(=O)NCC[N@@H+]2CC=CCC2)cs1 ZINC000392843682 329040586 /nfs/dbraw/zinc/04/05/86/329040586.db2.gz VSNQFKXLSVJVKX-UHFFFAOYSA-N 2 2 266.370 0.594 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000582485077 329096289 /nfs/dbraw/zinc/09/62/89/329096289.db2.gz BXKJKORNDFRLKB-NWDGAFQWSA-N 2 2 294.403 0.363 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@](C)(OC)C1 ZINC000394069123 329100802 /nfs/dbraw/zinc/10/08/02/329100802.db2.gz NQXFHZHPEGKAQC-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@](C)(OC)C1 ZINC000394069123 329100804 /nfs/dbraw/zinc/10/08/04/329100804.db2.gz NQXFHZHPEGKAQC-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@](C)(OC)C1 ZINC000394069123 329100805 /nfs/dbraw/zinc/10/08/05/329100805.db2.gz NQXFHZHPEGKAQC-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@](C)(OC)C1 ZINC000394069123 329100806 /nfs/dbraw/zinc/10/08/06/329100806.db2.gz NQXFHZHPEGKAQC-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@](C)(OC)C1 ZINC000394069095 329100884 /nfs/dbraw/zinc/10/08/84/329100884.db2.gz NQXFHZHPEGKAQC-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@](C)(OC)C1 ZINC000394069095 329100886 /nfs/dbraw/zinc/10/08/86/329100886.db2.gz NQXFHZHPEGKAQC-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@](C)(OC)C1 ZINC000394069095 329100887 /nfs/dbraw/zinc/10/08/87/329100887.db2.gz NQXFHZHPEGKAQC-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@](C)(OC)C1 ZINC000394069095 329100889 /nfs/dbraw/zinc/10/08/89/329100889.db2.gz NQXFHZHPEGKAQC-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP CN(C)c1cccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000582773245 329162074 /nfs/dbraw/zinc/16/20/74/329162074.db2.gz FIWBQYOWUOAEQP-LLVKDONJSA-N 2 2 292.387 0.254 20 0 CCADLP CN(C)c1cccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])n1 ZINC000582773245 329162075 /nfs/dbraw/zinc/16/20/75/329162075.db2.gz FIWBQYOWUOAEQP-LLVKDONJSA-N 2 2 292.387 0.254 20 0 CCADLP [NH3+][C@H](C(=O)NCC[N@H+]1CC=CCC1)c1cscn1 ZINC000582784324 329193987 /nfs/dbraw/zinc/19/39/87/329193987.db2.gz FZSYGBPQGQOZPK-NSHDSACASA-N 2 2 266.370 0.521 20 0 CCADLP [NH3+][C@H](C(=O)NCC[N@@H+]1CC=CCC1)c1cscn1 ZINC000582784324 329193988 /nfs/dbraw/zinc/19/39/88/329193988.db2.gz FZSYGBPQGQOZPK-NSHDSACASA-N 2 2 266.370 0.521 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000582794811 329211501 /nfs/dbraw/zinc/21/15/01/329211501.db2.gz RCMABJLMMDNDHY-QWHCGFSZSA-N 2 2 286.420 0.035 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000582794811 329211502 /nfs/dbraw/zinc/21/15/02/329211502.db2.gz RCMABJLMMDNDHY-QWHCGFSZSA-N 2 2 286.420 0.035 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000582794811 329211504 /nfs/dbraw/zinc/21/15/04/329211504.db2.gz RCMABJLMMDNDHY-QWHCGFSZSA-N 2 2 286.420 0.035 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000582794811 329211506 /nfs/dbraw/zinc/21/15/06/329211506.db2.gz RCMABJLMMDNDHY-QWHCGFSZSA-N 2 2 286.420 0.035 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC(C)=C[C@@H](C)C1 ZINC000582912701 329287640 /nfs/dbraw/zinc/28/76/40/329287640.db2.gz CDKFFTCOFSHBMQ-TZMCWYRMSA-N 2 2 256.390 0.824 20 0 CCADLP CC[NH+]1CCC(Nc2nc[nH+]c(N)c2OC)CC1 ZINC000395767834 329301052 /nfs/dbraw/zinc/30/10/52/329301052.db2.gz ZYPVZEVGCBLYRS-UHFFFAOYSA-N 2 2 251.334 0.964 20 0 CCADLP CC[NH+]1CCC(Nc2[nH+]cnc(N)c2OC)CC1 ZINC000395767834 329301054 /nfs/dbraw/zinc/30/10/54/329301054.db2.gz ZYPVZEVGCBLYRS-UHFFFAOYSA-N 2 2 251.334 0.964 20 0 CCADLP Cc1cc(NC(=O)NC[C@@H]2C[NH2+]CCN2C)c(C)c[nH+]1 ZINC000580417829 329571930 /nfs/dbraw/zinc/57/19/30/329571930.db2.gz HNRGTCMTLDAFJQ-LBPRGKRZSA-N 2 2 277.372 0.145 20 0 CCADLP COc1ccncc1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000575795175 335115450 /nfs/dbraw/zinc/11/54/50/335115450.db2.gz XFYDZPJHVBAVGX-GJZGRUSLSA-N 2 2 277.368 0.947 20 0 CCADLP COCCCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175512908 335186924 /nfs/dbraw/zinc/18/69/24/335186924.db2.gz KFGLEMQBDKTLJR-UHFFFAOYSA-N 2 2 286.420 0.348 20 0 CCADLP CC(C)(CNC(=O)C[N@@H+]1CCC(C)(C)C1)[NH+]1CCOCC1 ZINC000174255142 335151497 /nfs/dbraw/zinc/15/14/97/335151497.db2.gz YHQLITRADGAKIE-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP CC(C)(CNC(=O)C[N@H+]1CCC(C)(C)C1)[NH+]1CCOCC1 ZINC000174255142 335151498 /nfs/dbraw/zinc/15/14/98/335151498.db2.gz YHQLITRADGAKIE-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@H]2CCC[C@H]2F)[C@@H](C[NH3+])C1 ZINC000576254924 335178393 /nfs/dbraw/zinc/17/83/93/335178393.db2.gz ZASLDXIQDFIPIP-AXFHLTTASA-N 2 2 258.341 0.161 20 0 CCADLP CC(C)n1c[nH+]cc1CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405292264 545092146 /nfs/dbraw/zinc/09/21/46/545092146.db2.gz YQXZOJKPPDOEOE-GXTWGEPZSA-N 2 2 264.373 0.715 20 0 CCADLP CC(C)n1c[nH+]cc1CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405292264 545092147 /nfs/dbraw/zinc/09/21/47/545092147.db2.gz YQXZOJKPPDOEOE-GXTWGEPZSA-N 2 2 264.373 0.715 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC[C@H]1[NH3+] ZINC000576465611 335207507 /nfs/dbraw/zinc/20/75/07/335207507.db2.gz HVWUQSHPOQXZGO-YIYPIFLZSA-N 2 2 253.390 0.519 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC[C@H]1[NH3+] ZINC000576465611 335207509 /nfs/dbraw/zinc/20/75/09/335207509.db2.gz HVWUQSHPOQXZGO-YIYPIFLZSA-N 2 2 253.390 0.519 20 0 CCADLP NC(=O)C1([NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000576883968 335260116 /nfs/dbraw/zinc/26/01/16/335260116.db2.gz ZBYCFKNBDKLEDY-UHFFFAOYSA-N 2 2 274.368 0.654 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000576994013 335275315 /nfs/dbraw/zinc/27/53/15/335275315.db2.gz JGZIMKMWRBBMMU-GXTWGEPZSA-N 2 2 276.384 0.902 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC(=O)NCCc1ccccc1 ZINC000580550992 335278604 /nfs/dbraw/zinc/27/86/04/335278604.db2.gz NZGMPANETCECHM-HIFRSBDPSA-N 2 2 275.396 0.933 20 0 CCADLP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCc2[nH]c[nH+]c2C)C1(C)C ZINC000379979835 335286149 /nfs/dbraw/zinc/28/61/49/335286149.db2.gz WASZOIFBNGEDQR-SMDDNHRTSA-N 2 2 280.372 0.867 20 0 CCADLP CCO[C@@H](C)c1noc(C[N@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000580565027 335287086 /nfs/dbraw/zinc/28/70/86/335287086.db2.gz RESHWHJZHIHIIN-LBPRGKRZSA-N 2 2 297.403 0.504 20 0 CCADLP CCO[C@@H](C)c1noc(C[N@@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000580565027 335287087 /nfs/dbraw/zinc/28/70/87/335287087.db2.gz RESHWHJZHIHIIN-LBPRGKRZSA-N 2 2 297.403 0.504 20 0 CCADLP CC1(C)C[NH+](CC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000577076373 335296281 /nfs/dbraw/zinc/29/62/81/335296281.db2.gz QUXRTDIBSLWXKQ-NSHDSACASA-N 2 2 262.357 0.656 20 0 CCADLP C[C@@H](C(=O)NC(C)(C)C[NH+]1CCOCC1)[NH+]1CC(C)C1 ZINC000577123437 335304397 /nfs/dbraw/zinc/30/43/97/335304397.db2.gz LZODEGKGWLNTLL-ZDUSSCGKSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000577164206 335312869 /nfs/dbraw/zinc/31/28/69/335312869.db2.gz UMDQUQHYSNLYDM-DZGCQCFKSA-N 2 2 296.415 0.102 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000577164206 335312871 /nfs/dbraw/zinc/31/28/71/335312871.db2.gz UMDQUQHYSNLYDM-DZGCQCFKSA-N 2 2 296.415 0.102 20 0 CCADLP CC(C)c1nc(N2C[C@H]([NH3+])[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000577270722 335332737 /nfs/dbraw/zinc/33/27/37/335332737.db2.gz XIJNOBPEIWMDHC-UWVGGRQHSA-N 2 2 264.377 0.844 20 0 CCADLP C[C@H](c1nnnn1C1CC1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000579593741 335816469 /nfs/dbraw/zinc/81/64/69/335816469.db2.gz QGXSOUXFVNTQEV-LLVKDONJSA-N 2 2 294.403 0.899 20 0 CCADLP CC[NH2+]CCCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000581000355 335994297 /nfs/dbraw/zinc/99/42/97/335994297.db2.gz XULUPUBERPCYRI-LLVKDONJSA-N 2 2 253.350 0.570 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000581139232 336014510 /nfs/dbraw/zinc/01/45/10/336014510.db2.gz AAJTYWNARYURGZ-GFCCVEGCSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000581139232 336014511 /nfs/dbraw/zinc/01/45/11/336014511.db2.gz AAJTYWNARYURGZ-GFCCVEGCSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C[NH+]1CCOCC1 ZINC000581140690 336014639 /nfs/dbraw/zinc/01/46/39/336014639.db2.gz OXYAOOPNDRDVJG-STQMWFEESA-N 2 2 294.399 0.673 20 0 CCADLP C[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C[NH+]1CCOCC1 ZINC000581140690 336014640 /nfs/dbraw/zinc/01/46/40/336014640.db2.gz OXYAOOPNDRDVJG-STQMWFEESA-N 2 2 294.399 0.673 20 0 CCADLP C[C@@H]1COCC[N@@H+]1C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000581202169 336024444 /nfs/dbraw/zinc/02/44/44/336024444.db2.gz SAXWFKQJAOAFIS-OAHLLOKOSA-N 2 2 297.443 0.504 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC000581258977 336033365 /nfs/dbraw/zinc/03/33/65/336033365.db2.gz UONTZCHSVMUOJT-LLVKDONJSA-N 2 2 291.355 0.151 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC000581258977 336033367 /nfs/dbraw/zinc/03/33/67/336033367.db2.gz UONTZCHSVMUOJT-LLVKDONJSA-N 2 2 291.355 0.151 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@H](C)C1 ZINC000381165034 336052919 /nfs/dbraw/zinc/05/29/19/336052919.db2.gz TXWMOPLKCXRIHF-MJBXVCDLSA-N 2 2 258.406 0.903 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@H](C)C1 ZINC000381165034 336052920 /nfs/dbraw/zinc/05/29/20/336052920.db2.gz TXWMOPLKCXRIHF-MJBXVCDLSA-N 2 2 258.406 0.903 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)[C@H](C)C1 ZINC000381165034 336052921 /nfs/dbraw/zinc/05/29/21/336052921.db2.gz TXWMOPLKCXRIHF-MJBXVCDLSA-N 2 2 258.406 0.903 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)[C@H](C)C1 ZINC000381165034 336052922 /nfs/dbraw/zinc/05/29/22/336052922.db2.gz TXWMOPLKCXRIHF-MJBXVCDLSA-N 2 2 258.406 0.903 20 0 CCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000581486318 336087679 /nfs/dbraw/zinc/08/76/79/336087679.db2.gz FTQJEWFZJZEJEG-RYUDHWBXSA-N 2 2 277.372 0.052 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]C2CC(F)(F)C2)C[C@@H](C)O1 ZINC000581603216 336110124 /nfs/dbraw/zinc/11/01/24/336110124.db2.gz OURXYULUXWWSPR-FOGDFJRCSA-N 2 2 278.343 0.844 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000581667430 336125442 /nfs/dbraw/zinc/12/54/42/336125442.db2.gz UCEDTGKHXHFKNM-LBPRGKRZSA-N 2 2 274.430 0.743 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000581667430 336125444 /nfs/dbraw/zinc/12/54/44/336125444.db2.gz UCEDTGKHXHFKNM-LBPRGKRZSA-N 2 2 274.430 0.743 20 0 CCADLP C[C@@H](CC(=O)N[C@@H](CC[NH3+])C(F)F)n1cc[nH+]c1 ZINC000581674212 336126496 /nfs/dbraw/zinc/12/64/96/336126496.db2.gz VOMXZLNPBRHJDS-IUCAKERBSA-N 2 2 260.288 0.933 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccnn1C ZINC000453271846 533880972 /nfs/dbraw/zinc/88/09/72/533880972.db2.gz UJOKLVNVYCPEKP-STQMWFEESA-N 2 2 266.389 0.918 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccnn1C ZINC000453271846 533880982 /nfs/dbraw/zinc/88/09/82/533880982.db2.gz UJOKLVNVYCPEKP-STQMWFEESA-N 2 2 266.389 0.918 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432438930 534189076 /nfs/dbraw/zinc/18/90/76/534189076.db2.gz DQSLBMPRECXISM-STQMWFEESA-N 2 2 292.445 0.510 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432438930 534189078 /nfs/dbraw/zinc/18/90/78/534189078.db2.gz DQSLBMPRECXISM-STQMWFEESA-N 2 2 292.445 0.510 20 0 CCADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]CC[C@@H]1CCOC1 ZINC000449386729 534361590 /nfs/dbraw/zinc/36/15/90/534361590.db2.gz JIKVQTNUIZLLQU-KGLIPLIRSA-N 2 2 256.390 0.849 20 0 CCADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]CC[C@@H]1CCOC1 ZINC000449386729 534361599 /nfs/dbraw/zinc/36/15/99/534361599.db2.gz JIKVQTNUIZLLQU-KGLIPLIRSA-N 2 2 256.390 0.849 20 0 CCADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCCn2cc[nH+]c2)C1(C)C ZINC000157098914 520451731 /nfs/dbraw/zinc/45/17/31/520451731.db2.gz YTODBBADPKXKBS-RISCZKNCSA-N 2 2 280.372 0.532 20 0 CCADLP O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424165568 534593249 /nfs/dbraw/zinc/59/32/49/534593249.db2.gz GBMJBRKJUJHEIZ-MNOVXSKESA-N 2 2 291.342 0.116 20 0 CCADLP Cc1nc2n(n1)C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)CC2 ZINC000425363229 534703684 /nfs/dbraw/zinc/70/36/84/534703684.db2.gz WGYRWQRILZUHTE-NSHDSACASA-N 2 2 289.387 0.491 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]C(C2CC2)C2CC2)CC1 ZINC000049235008 523873991 /nfs/dbraw/zinc/87/39/91/523873991.db2.gz HCCHQGRRLLWYKF-UHFFFAOYSA-N 2 2 251.374 0.539 20 0 CCADLP COCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCn2cccn2)C1 ZINC000354086117 523874537 /nfs/dbraw/zinc/87/45/37/523874537.db2.gz MWHQBEJUIPAKFS-KGLIPLIRSA-N 2 2 266.389 0.972 20 0 CCADLP COCC[N@H+]1CC[C@H]([NH2+][C@H](C)CCn2cccn2)C1 ZINC000354086117 523874541 /nfs/dbraw/zinc/87/45/41/523874541.db2.gz MWHQBEJUIPAKFS-KGLIPLIRSA-N 2 2 266.389 0.972 20 0 CCADLP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364973559 524033231 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C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CC[N@@H+]1C ZINC000155865138 525439567 /nfs/dbraw/zinc/43/95/67/525439567.db2.gz PWACJSPUVIKVPI-MCIONIFRSA-N 3 2 255.406 0.515 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CC[N@H+]1C ZINC000155865138 525439581 /nfs/dbraw/zinc/43/95/81/525439581.db2.gz PWACJSPUVIKVPI-MCIONIFRSA-N 3 2 255.406 0.515 20 0 CCADLP C[C@@H](O)C[C@H]1COCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000157024145 525842189 /nfs/dbraw/zinc/84/21/89/525842189.db2.gz WCOZBDXXRRAQOM-OLZOCXBDSA-N 2 2 253.346 0.745 20 0 CCADLP C[C@@H](O)C[C@H]1COCC[N@H+]1CCCn1cc[nH+]c1 ZINC000157024145 525842193 /nfs/dbraw/zinc/84/21/93/525842193.db2.gz WCOZBDXXRRAQOM-OLZOCXBDSA-N 2 2 253.346 0.745 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000349118298 534901469 /nfs/dbraw/zinc/90/14/69/534901469.db2.gz MTZZILMXHKDEJH-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000349118298 534901472 /nfs/dbraw/zinc/90/14/72/534901472.db2.gz MTZZILMXHKDEJH-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@H](O)CNc1cc(N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)nc[nH+]1 ZINC000665707825 545104236 /nfs/dbraw/zinc/10/42/36/545104236.db2.gz DUTFXFGKDMPIBY-SRVKXCTJSA-N 2 2 295.387 0.400 20 0 CCADLP C[C@H](O)CNc1cc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)nc[nH+]1 ZINC000665707825 545104237 /nfs/dbraw/zinc/10/42/37/545104237.db2.gz DUTFXFGKDMPIBY-SRVKXCTJSA-N 2 2 295.387 0.400 20 0 CCADLP c1nc(N2CC[N@@H+]3CCOC[C@@H]3C2)cc(NC2CC2)[nH+]1 ZINC000665711375 545104604 /nfs/dbraw/zinc/10/46/04/545104604.db2.gz GGXYZNOXQCYXBS-LBPRGKRZSA-N 2 2 275.356 0.572 20 0 CCADLP c1nc(N2CC[N@H+]3CCOC[C@@H]3C2)cc(NC2CC2)[nH+]1 ZINC000665711375 545104605 /nfs/dbraw/zinc/10/46/05/545104605.db2.gz GGXYZNOXQCYXBS-LBPRGKRZSA-N 2 2 275.356 0.572 20 0 CCADLP C[NH2+]C1CC[NH+](CC(=O)N2CCC(C)CC2)CC1 ZINC000261589213 536439144 /nfs/dbraw/zinc/43/91/44/536439144.db2.gz WBPMLCDSDWCELS-UHFFFAOYSA-N 2 2 253.390 0.929 20 0 CCADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)[C@@]1(F)CC[NH2+]C1 ZINC000366337557 526680659 /nfs/dbraw/zinc/68/06/59/526680659.db2.gz GOUBTZJPDHITIJ-OAHLLOKOSA-N 2 2 292.358 1.000 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)C1([NH+](C)C)CC1 ZINC000666367207 545120814 /nfs/dbraw/zinc/12/08/14/545120814.db2.gz ZTTNDGKIMUNWEU-UHFFFAOYSA-N 2 2 262.357 0.858 20 0 CCADLP C[C@@H](NC(=O)NCCNc1cc[nH+]cc1)c1[nH+]ccn1C ZINC000667257000 545142766 /nfs/dbraw/zinc/14/27/66/545142766.db2.gz ZEUSPWIBXQJEKB-LLVKDONJSA-N 2 2 288.355 0.709 20 0 CCADLP CC(C)([NH3+])CNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000418429497 527246948 /nfs/dbraw/zinc/24/69/48/527246948.db2.gz NRTVHKVXWMBKDQ-LBPRGKRZSA-N 2 2 278.356 0.982 20 0 CCADLP Cc1[nH+]cc(C[N@H+]2C[C@@H](C(N)=O)CC[C@H]2C)n1C ZINC000667512316 545149089 /nfs/dbraw/zinc/14/90/89/545149089.db2.gz BPBLUEOQNVZGOU-KOLCDFICSA-N 2 2 250.346 0.814 20 0 CCADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)n1C ZINC000667512316 545149090 /nfs/dbraw/zinc/14/90/90/545149090.db2.gz BPBLUEOQNVZGOU-KOLCDFICSA-N 2 2 250.346 0.814 20 0 CCADLP C[C@H]([NH3+])[C@H]1CN(C(=O)Nc2ccn3cc[nH+]c3c2)CCO1 ZINC000667532047 545149194 /nfs/dbraw/zinc/14/91/94/545149194.db2.gz GAYNBYMYZNOQCN-CMPLNLGQSA-N 2 2 289.339 0.914 20 0 CCADLP Cc1[nH+]cc(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)n1C ZINC000667595965 545150604 /nfs/dbraw/zinc/15/06/04/545150604.db2.gz VRPYNUGYMWVLBY-CABCVRRESA-N 2 2 278.400 0.760 20 0 CCADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H](OCCO)C2)n1C ZINC000667617184 545151532 /nfs/dbraw/zinc/15/15/32/545151532.db2.gz KHXYWFYVIYNKFJ-ZDUSSCGKSA-N 2 2 253.346 0.702 20 0 CCADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H](OCCO)C2)n1C ZINC000667617184 545151533 /nfs/dbraw/zinc/15/15/33/545151533.db2.gz KHXYWFYVIYNKFJ-ZDUSSCGKSA-N 2 2 253.346 0.702 20 0 CCADLP O[C@@H]1COCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668207715 545167428 /nfs/dbraw/zinc/16/74/28/545167428.db2.gz POHYZOPJZNLKIV-AWEZNQCLSA-N 2 2 274.324 0.460 20 0 CCADLP O[C@@H]1COCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668207715 545167429 /nfs/dbraw/zinc/16/74/29/545167429.db2.gz POHYZOPJZNLKIV-AWEZNQCLSA-N 2 2 274.324 0.460 20 0 CCADLP COCCN(CC[NH+](C)C)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000668310378 545172592 /nfs/dbraw/zinc/17/25/92/545172592.db2.gz UWUWXRKWTJXMDE-GFCCVEGCSA-N 2 2 294.399 0.551 20 0 CCADLP COCCN(CC[NH+](C)C)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000668310378 545172593 /nfs/dbraw/zinc/17/25/93/545172593.db2.gz UWUWXRKWTJXMDE-GFCCVEGCSA-N 2 2 294.399 0.551 20 0 CCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)n1C ZINC000668546336 545181181 /nfs/dbraw/zinc/18/11/81/545181181.db2.gz YAKFODWEJHHDSU-WCQYABFASA-N 2 2 262.357 0.829 20 0 CCADLP Cc1[nH+]cc(C[N@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)n1C ZINC000668546336 545181182 /nfs/dbraw/zinc/18/11/82/545181182.db2.gz YAKFODWEJHHDSU-WCQYABFASA-N 2 2 262.357 0.829 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)NCCCCn1cc[nH+]c1C ZINC000367254659 527722466 /nfs/dbraw/zinc/72/24/66/527722466.db2.gz IFUDJEBBTGVFOI-AWEZNQCLSA-N 2 2 294.399 0.809 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)NCCCCn1cc[nH+]c1C ZINC000367254659 527722467 /nfs/dbraw/zinc/72/24/67/527722467.db2.gz IFUDJEBBTGVFOI-AWEZNQCLSA-N 2 2 294.399 0.809 20 0 CCADLP CCN1CC[NH+](CCCCNC(=O)C2([NH+](C)C)CC2)CC1 ZINC000668680290 545186791 /nfs/dbraw/zinc/18/67/91/545186791.db2.gz MYAIFHCHSJMJMW-UHFFFAOYSA-N 2 2 296.459 0.615 20 0 CCADLP CC[NH+]1CCN(CCCCNC(=O)C2([NH+](C)C)CC2)CC1 ZINC000668680290 545186792 /nfs/dbraw/zinc/18/67/92/545186792.db2.gz MYAIFHCHSJMJMW-UHFFFAOYSA-N 2 2 296.459 0.615 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)[C@H](C)[NH2+]C2CC2)CC1 ZINC000449145119 527960660 /nfs/dbraw/zinc/96/06/60/527960660.db2.gz WGMNHZMNPIABIQ-ZDUSSCGKSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H](CNC(=O)C1([NH+](C)C)CC1)Cn1cc[nH+]c1 ZINC000669017934 545197933 /nfs/dbraw/zinc/19/79/33/545197933.db2.gz HGLABYJCPIYNOX-NSHDSACASA-N 2 2 250.346 0.730 20 0 CCADLP Cc1ccn2cc(CNC(=O)NC/C=C\C[NH3+])[nH+]c2c1 ZINC000669402280 545206605 /nfs/dbraw/zinc/20/66/05/545206605.db2.gz GKRHNYIJMATSBG-IHWYPQMZSA-N 2 2 273.340 0.957 20 0 CCADLP CCNC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000355338784 528095759 /nfs/dbraw/zinc/09/57/59/528095759.db2.gz UAIMHFPGZNPTMN-ZDUSSCGKSA-N 2 2 253.390 0.786 20 0 CCADLP CCNC(=O)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000355338784 528095762 /nfs/dbraw/zinc/09/57/62/528095762.db2.gz UAIMHFPGZNPTMN-ZDUSSCGKSA-N 2 2 253.390 0.786 20 0 CCADLP CCNC(=O)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000355338784 528095765 /nfs/dbraw/zinc/09/57/65/528095765.db2.gz UAIMHFPGZNPTMN-ZDUSSCGKSA-N 2 2 253.390 0.786 20 0 CCADLP CCNC(=O)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000355338784 528095767 /nfs/dbraw/zinc/09/57/67/528095767.db2.gz UAIMHFPGZNPTMN-ZDUSSCGKSA-N 2 2 253.390 0.786 20 0 CCADLP C[C@@H](NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@H]1C[N@H+](C)CCO1 ZINC000669538574 545213838 /nfs/dbraw/zinc/21/38/38/545213838.db2.gz XNKNVNRXGKPTNC-YIYPIFLZSA-N 2 2 296.415 0.241 20 0 CCADLP C[C@@H](NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@H]1C[N@@H+](C)CCO1 ZINC000669538574 545213839 /nfs/dbraw/zinc/21/38/39/545213839.db2.gz XNKNVNRXGKPTNC-YIYPIFLZSA-N 2 2 296.415 0.241 20 0 CCADLP [NH3+]C1(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCC1 ZINC000669542811 545214046 /nfs/dbraw/zinc/21/40/46/545214046.db2.gz KTLLKNMHBOGVDD-GFCCVEGCSA-N 2 2 289.383 0.841 20 0 CCADLP CC(C)C[C@@H](C[NH3+])NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000418446372 528297563 /nfs/dbraw/zinc/29/75/63/528297563.db2.gz PLIHHFKPTOBJBN-ZDUSSCGKSA-N 2 2 286.420 0.333 20 0 CCADLP CC[NH2+]CCNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000418320215 528307266 /nfs/dbraw/zinc/30/72/66/528307266.db2.gz UEGLVJLEPNIFIE-CYBMUJFWSA-N 2 2 284.404 0.102 20 0 CCADLP CC[NH2+]CCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000418318613 528310701 /nfs/dbraw/zinc/31/07/01/528310701.db2.gz AFIXDNPFBDJYTM-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000423861646 528549898 /nfs/dbraw/zinc/54/98/98/528549898.db2.gz CZTLOZGNWQGOLD-CHWSQXEVSA-N 2 2 293.415 0.623 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000449149962 528551890 /nfs/dbraw/zinc/55/18/90/528551890.db2.gz YGCQUARRUFIKTB-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428035527 528596898 /nfs/dbraw/zinc/59/68/98/528596898.db2.gz VEEGNKVOMULUEI-KBPBESRZSA-N 2 2 283.416 0.603 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428035527 528596903 /nfs/dbraw/zinc/59/69/03/528596903.db2.gz VEEGNKVOMULUEI-KBPBESRZSA-N 2 2 283.416 0.603 20 0 CCADLP CC[NH+]1CCC([NH2+]Cc2cc(C(N)=O)co2)CC1 ZINC000427887180 528987437 /nfs/dbraw/zinc/98/74/37/528987437.db2.gz OSIKIPRUTDZMLZ-UHFFFAOYSA-N 2 2 251.330 0.952 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)c2ccnc(C[NH3+])c2)CCO1 ZINC000361611396 529119440 /nfs/dbraw/zinc/11/94/40/529119440.db2.gz RVYVLJNVUQKEDL-UHFFFAOYSA-N 2 2 292.383 0.381 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)c2ccnc(C[NH3+])c2)CCO1 ZINC000361611396 529119442 /nfs/dbraw/zinc/11/94/42/529119442.db2.gz RVYVLJNVUQKEDL-UHFFFAOYSA-N 2 2 292.383 0.381 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3ccon3)C2)CC1 ZINC000673669938 545290448 /nfs/dbraw/zinc/29/04/48/545290448.db2.gz XLHNOCUJFKFIKZ-ZDUSSCGKSA-N 2 2 292.383 0.502 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3ccon3)C2)CC1 ZINC000673669938 545290449 /nfs/dbraw/zinc/29/04/49/545290449.db2.gz XLHNOCUJFKFIKZ-ZDUSSCGKSA-N 2 2 292.383 0.502 20 0 CCADLP CC[C@H]1CN(C(=O)[C@H]2CCCC[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000423877327 529279435 /nfs/dbraw/zinc/27/94/35/529279435.db2.gz OWYXWGXRXJZZGQ-RRFJBIMHSA-N 2 2 295.427 0.698 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)/C=C/c2[nH]cc[nH+]2)CCO1 ZINC000493713524 529292221 /nfs/dbraw/zinc/29/22/21/529292221.db2.gz HHMNLPALSQQQPV-PCAWENJQSA-N 2 2 278.356 0.650 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)/C=C/c2[nH]cc[nH+]2)CCO1 ZINC000493713524 529292223 /nfs/dbraw/zinc/29/22/23/529292223.db2.gz HHMNLPALSQQQPV-PCAWENJQSA-N 2 2 278.356 0.650 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)NC[C@@H]([NH3+])C(C)C)CCO1 ZINC000418416736 529292594 /nfs/dbraw/zinc/29/25/94/529292594.db2.gz VXJZGOCGBCIAME-QWHCGFSZSA-N 2 2 286.420 0.380 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)NC[C@@H]([NH3+])C(C)C)CCO1 ZINC000418416736 529292599 /nfs/dbraw/zinc/29/25/99/529292599.db2.gz VXJZGOCGBCIAME-QWHCGFSZSA-N 2 2 286.420 0.380 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@H](C)[NH+](C)C)[NH+]1CCOCC1 ZINC000674244593 545301294 /nfs/dbraw/zinc/30/12/94/545301294.db2.gz IRSRDOAUXRMWBW-STQMWFEESA-N 2 2 271.405 0.410 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@]3(C)CCCO3)C2)CC1 ZINC000674799121 545313490 /nfs/dbraw/zinc/31/34/90/545313490.db2.gz AWIMVYNMHUMVNJ-CJNGLKHVSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@]3(C)CCCO3)C2)CC1 ZINC000674799121 545313491 /nfs/dbraw/zinc/31/34/91/545313491.db2.gz AWIMVYNMHUMVNJ-CJNGLKHVSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000674882572 545317486 /nfs/dbraw/zinc/31/74/86/545317486.db2.gz RGXRJICSSOIPAL-IIAWOOMASA-N 3 2 280.460 0.695 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000674882572 545317487 /nfs/dbraw/zinc/31/74/87/545317487.db2.gz RGXRJICSSOIPAL-IIAWOOMASA-N 3 2 280.460 0.695 20 0 CCADLP O=C(C[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCC1 ZINC000675500129 545327291 /nfs/dbraw/zinc/32/72/91/545327291.db2.gz ZRERVKFMPMGFCJ-UHFFFAOYSA-N 2 2 260.341 0.436 20 0 CCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cncs1 ZINC000675781954 545331310 /nfs/dbraw/zinc/33/13/10/545331310.db2.gz IIZVIRSTKLXQTH-JTQLQIEISA-N 2 2 268.386 0.568 20 0 CCADLP CCN(CC)C(=O)C[NH+]1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000346845797 535431409 /nfs/dbraw/zinc/43/14/09/535431409.db2.gz BFRNRYDENZGPEE-HNNXBMFYSA-N 2 2 296.459 0.472 20 0 CCADLP CCN(CC)C(=O)CN1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346845797 535431413 /nfs/dbraw/zinc/43/14/13/535431413.db2.gz BFRNRYDENZGPEE-HNNXBMFYSA-N 2 2 296.459 0.472 20 0 CCADLP CCOC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000312528956 535523252 /nfs/dbraw/zinc/52/32/52/535523252.db2.gz OTYFITYGZLODMD-OCCSQVGLSA-N 2 2 284.400 0.717 20 0 CCADLP CCOC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000312528956 535523259 /nfs/dbraw/zinc/52/32/59/535523259.db2.gz OTYFITYGZLODMD-OCCSQVGLSA-N 2 2 284.400 0.717 20 0 CCADLP CCOC(=O)[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000312528956 535523263 /nfs/dbraw/zinc/52/32/63/535523263.db2.gz OTYFITYGZLODMD-OCCSQVGLSA-N 2 2 284.400 0.717 20 0 CCADLP CCOC(=O)[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000312528956 535523268 /nfs/dbraw/zinc/52/32/68/535523268.db2.gz OTYFITYGZLODMD-OCCSQVGLSA-N 2 2 284.400 0.717 20 0 CCADLP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)CS(C)(=O)=O)CC1 ZINC000341761627 535729848 /nfs/dbraw/zinc/72/98/48/535729848.db2.gz RMVPVFSMAPTGBN-STQMWFEESA-N 2 2 291.461 0.035 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C)C(=O)OC ZINC000251962171 535961684 /nfs/dbraw/zinc/96/16/84/535961684.db2.gz VTXQNHQLINKENB-OPDFLTKYSA-N 2 2 299.415 0.359 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C)C(=O)OC ZINC000251962171 535961687 /nfs/dbraw/zinc/96/16/87/535961687.db2.gz VTXQNHQLINKENB-OPDFLTKYSA-N 2 2 299.415 0.359 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NCCn2cc[nH+]c2)no1 ZINC000359168722 535983173 /nfs/dbraw/zinc/98/31/73/535983173.db2.gz KYTKCXVRQCVBCK-UHFFFAOYSA-N 2 2 263.301 0.363 20 0 CCADLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(CO)o3)CC2)C1 ZINC000678258608 545387338 /nfs/dbraw/zinc/38/73/38/545387338.db2.gz GMQKBEZAHRNXBY-AWEZNQCLSA-N 2 2 293.411 0.984 20 0 CCADLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(CO)o3)CC2)C1 ZINC000678258608 545387339 /nfs/dbraw/zinc/38/73/39/545387339.db2.gz GMQKBEZAHRNXBY-AWEZNQCLSA-N 2 2 293.411 0.984 20 0 CCADLP C[C@H]1C[N@H+](Cc2cn[nH]c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000678286452 545388426 /nfs/dbraw/zinc/38/84/26/545388426.db2.gz XHSAURALBWPXFL-ZFWWWQNUSA-N 2 2 277.416 0.868 20 0 CCADLP C[C@H]1C[N@@H+](Cc2cn[nH]c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000678286452 545388427 /nfs/dbraw/zinc/38/84/27/545388427.db2.gz XHSAURALBWPXFL-ZFWWWQNUSA-N 2 2 277.416 0.868 20 0 CCADLP CNS(=O)(=O)[C@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000362237859 536308875 /nfs/dbraw/zinc/30/88/75/536308875.db2.gz KMCWYWHXYCQPAF-LBPRGKRZSA-N 2 2 286.401 0.287 20 0 CCADLP CNS(=O)(=O)[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000362237859 536308877 /nfs/dbraw/zinc/30/88/77/536308877.db2.gz KMCWYWHXYCQPAF-LBPRGKRZSA-N 2 2 286.401 0.287 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cn2ncc3ccccc32)[C@H](C[NH3+])C1 ZINC000514857485 536404473 /nfs/dbraw/zinc/40/44/73/536404473.db2.gz RYCMKKFVCLPDOG-CYBMUJFWSA-N 2 2 287.367 0.138 20 0 CCADLP C[N@H+]1CCN(C(=O)Cn2ncc3ccccc32)[C@H](C[NH3+])C1 ZINC000514857485 536404477 /nfs/dbraw/zinc/40/44/77/536404477.db2.gz RYCMKKFVCLPDOG-CYBMUJFWSA-N 2 2 287.367 0.138 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)C(=O)N1c1cnn(C)c1 ZINC000679068144 545401569 /nfs/dbraw/zinc/40/15/69/545401569.db2.gz XWJFUYAAXOUUMG-RISCZKNCSA-N 2 2 291.399 0.598 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000360901259 536554097 /nfs/dbraw/zinc/55/40/97/536554097.db2.gz IJIGFSMFZBBOCR-NEPJUHHUSA-N 2 2 280.372 0.536 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)N[C@@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000679893409 545417781 /nfs/dbraw/zinc/41/77/81/545417781.db2.gz MWWWOJCVIGSQHE-GFCCVEGCSA-N 2 2 289.383 0.953 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)N[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000679893409 545417782 /nfs/dbraw/zinc/41/77/82/545417782.db2.gz MWWWOJCVIGSQHE-GFCCVEGCSA-N 2 2 289.383 0.953 20 0 CCADLP CN(CC[N@@H+](C)C1CC1)c1nc(N2CCOCC2)cc[nH+]1 ZINC000681152141 545443822 /nfs/dbraw/zinc/44/38/22/545443822.db2.gz HLBDEODZUSCLLD-UHFFFAOYSA-N 2 2 291.399 0.844 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH+](C)C ZINC000682455594 545479705 /nfs/dbraw/zinc/47/97/05/545479705.db2.gz KMKHSIVLPIMXDX-GHMZBOCLSA-N 2 2 250.346 0.512 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000682469216 545479930 /nfs/dbraw/zinc/47/99/30/545479930.db2.gz WCLAKMGXWUNOTQ-CHWSQXEVSA-N 2 2 276.384 0.902 20 0 CCADLP C[C@@H](c1nnnn1C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000682523560 545481994 /nfs/dbraw/zinc/48/19/94/545481994.db2.gz WLDVXMOATNBDDT-QWRGUYRKSA-N 2 2 261.333 0.805 20 0 CCADLP C[C@@H](c1nnnn1C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000682523560 545481995 /nfs/dbraw/zinc/48/19/95/545481995.db2.gz WLDVXMOATNBDDT-QWRGUYRKSA-N 2 2 261.333 0.805 20 0 CCADLP CCN1OC[C@H]([N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000682677789 545487314 /nfs/dbraw/zinc/48/73/14/545487314.db2.gz TUHCFURVUIERTK-AGIUHOORSA-N 2 2 278.356 0.928 20 0 CCADLP CCN1OC[C@H]([N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000682677789 545487315 /nfs/dbraw/zinc/48/73/15/545487315.db2.gz TUHCFURVUIERTK-AGIUHOORSA-N 2 2 278.356 0.928 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CC1)[C@@H]1C[NH+](C)CCO1 ZINC000683862064 545574257 /nfs/dbraw/zinc/57/42/57/545574257.db2.gz IUWHSVJXDDKLNU-YUTCNCBUSA-N 2 2 281.400 0.449 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CC1)[C@@H]1C[NH+](C)CCO1 ZINC000683862064 545574260 /nfs/dbraw/zinc/57/42/60/545574260.db2.gz IUWHSVJXDDKLNU-YUTCNCBUSA-N 2 2 281.400 0.449 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCC[NH+]1C1CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000683862064 545574264 /nfs/dbraw/zinc/57/42/64/545574264.db2.gz IUWHSVJXDDKLNU-YUTCNCBUSA-N 2 2 281.400 0.449 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCC[NH+]1C1CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000683862064 545574266 /nfs/dbraw/zinc/57/42/66/545574266.db2.gz IUWHSVJXDDKLNU-YUTCNCBUSA-N 2 2 281.400 0.449 20 0 CCADLP O=C([C@@H]1CCC[N@H+]1C1CC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000683859178 545572973 /nfs/dbraw/zinc/57/29/73/545572973.db2.gz OLODCBNWRLWAAQ-CABCVRRESA-N 2 2 293.411 0.546 20 0 CCADLP C[C@@H]1COCCC[NH+]1C[C@@H](O)C[N@H+]1CCCOC[C@@H]1C ZINC000683667828 545556290 /nfs/dbraw/zinc/55/62/90/545556290.db2.gz JKWFFFUBBFWGIA-QDMKHBRRSA-N 2 2 286.416 0.569 20 0 CCADLP C[C@@H]1COCCC[NH+]1C[C@@H](O)C[N@@H+]1CCCOC[C@@H]1C ZINC000683667828 545556293 /nfs/dbraw/zinc/55/62/93/545556293.db2.gz JKWFFFUBBFWGIA-QDMKHBRRSA-N 2 2 286.416 0.569 20 0 CCADLP C[C@@H]1COCCC[N@@H+]1C[C@@H](O)C[NH+]1CCCOC[C@@H]1C ZINC000683667828 545556297 /nfs/dbraw/zinc/55/62/97/545556297.db2.gz JKWFFFUBBFWGIA-QDMKHBRRSA-N 2 2 286.416 0.569 20 0 CCADLP c1[nH+]cn2c1CN(c1nc(N3CCOCC3)cc[nH+]1)CC2 ZINC000685925346 545868974 /nfs/dbraw/zinc/86/89/74/545868974.db2.gz GRGGPYKCBDQUGN-UHFFFAOYSA-N 2 2 286.339 0.530 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1[nH]cc[nH+]1 ZINC001017512273 649892992 /nfs/dbraw/zinc/89/29/92/649892992.db2.gz RRKINSATCRXRGI-RWMBFGLXSA-N 2 2 292.383 0.398 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1[nH]cc[nH+]1 ZINC001017512273 649892993 /nfs/dbraw/zinc/89/29/93/649892993.db2.gz RRKINSATCRXRGI-RWMBFGLXSA-N 2 2 292.383 0.398 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC1OCCO1 ZINC000777709648 581130933 /nfs/dbraw/zinc/13/09/33/581130933.db2.gz PKMXUBUNWRLBMQ-JHJVBQTASA-N 2 2 270.373 0.543 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC1OCCO1 ZINC000777709648 581130936 /nfs/dbraw/zinc/13/09/36/581130936.db2.gz PKMXUBUNWRLBMQ-JHJVBQTASA-N 2 2 270.373 0.543 20 0 CCADLP CCOCCC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000131442195 581145677 /nfs/dbraw/zinc/14/56/77/581145677.db2.gz DPYFUWIDHFDTKV-AWEZNQCLSA-N 2 2 283.416 0.827 20 0 CCADLP CCOCCC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000131442195 581145680 /nfs/dbraw/zinc/14/56/80/581145680.db2.gz DPYFUWIDHFDTKV-AWEZNQCLSA-N 2 2 283.416 0.827 20 0 CCADLP C[C@@H]1C[N@H+](CC2OCCO2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000777715581 581131575 /nfs/dbraw/zinc/13/15/75/581131575.db2.gz CDUQKNGZJKCYFN-ZIAGYGMSSA-N 2 2 283.416 0.317 20 0 CCADLP C[C@@H]1C[N@@H+](CC2OCCO2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000777715581 581131577 /nfs/dbraw/zinc/13/15/77/581131577.db2.gz CDUQKNGZJKCYFN-ZIAGYGMSSA-N 2 2 283.416 0.317 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]C[C@@H]2CC2(Cl)Cl)CC1 ZINC000779339834 581181661 /nfs/dbraw/zinc/18/16/61/581181661.db2.gz FLBBPXOXBQFUMB-VIFPVBQESA-N 2 2 280.199 0.544 20 0 CCADLP C[N@H+](CCn1cc[nH+]c1)CC(=O)NCc1ccco1 ZINC000779412079 581184238 /nfs/dbraw/zinc/18/42/38/581184238.db2.gz JOKDJIPZGSJJMN-UHFFFAOYSA-N 2 2 262.313 0.724 20 0 CCADLP C[N@@H+](CCn1cc[nH+]c1)CC(=O)NCc1ccco1 ZINC000779412079 581184241 /nfs/dbraw/zinc/18/42/41/581184241.db2.gz JOKDJIPZGSJJMN-UHFFFAOYSA-N 2 2 262.313 0.724 20 0 CCADLP C[C@H]1C[N@H+](C[C@H](O)C[NH+]2CCCC2)CC2(CCOCC2)O1 ZINC000790360402 581185354 /nfs/dbraw/zinc/18/53/54/581185354.db2.gz GZPGFMZLMOPNLG-LSDHHAIUSA-N 2 2 298.427 0.713 20 0 CCADLP C[C@H]1C[N@@H+](C[C@H](O)C[NH+]2CCCC2)CC2(CCOCC2)O1 ZINC000790360402 581185355 /nfs/dbraw/zinc/18/53/55/581185355.db2.gz GZPGFMZLMOPNLG-LSDHHAIUSA-N 2 2 298.427 0.713 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCC(=O)NC1=O ZINC000779477206 581187796 /nfs/dbraw/zinc/18/77/96/581187796.db2.gz YSVDIEGKAFIULU-SNVBAGLBSA-N 2 2 250.302 0.010 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCC(=O)NC1=O ZINC000779477206 581187797 /nfs/dbraw/zinc/18/77/97/581187797.db2.gz YSVDIEGKAFIULU-SNVBAGLBSA-N 2 2 250.302 0.010 20 0 CCADLP Cc1nc(N2CCC([NH3+])(CO)CC2)c2c([nH+]1)CCCC2 ZINC000782140073 581289804 /nfs/dbraw/zinc/28/98/04/581289804.db2.gz BSIPDXWRBOGBRT-UHFFFAOYSA-N 2 2 276.384 0.954 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)OC(=O)CCc1ccc(N)[nH+]c1 ZINC000782297079 581296002 /nfs/dbraw/zinc/29/60/02/581296002.db2.gz DREAOKLXOHVXHP-LBPRGKRZSA-N 2 2 293.367 0.860 20 0 CCADLP COC[C@@]1(C)CC(=O)N(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000793769110 581312384 /nfs/dbraw/zinc/31/23/84/581312384.db2.gz SDTXPUAVHZGOFS-HOTGVXAUSA-N 2 2 295.427 0.857 20 0 CCADLP COC[C@@]1(C)CC(=O)N(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000793769110 581312388 /nfs/dbraw/zinc/31/23/88/581312388.db2.gz SDTXPUAVHZGOFS-HOTGVXAUSA-N 2 2 295.427 0.857 20 0 CCADLP COC[C@@]1(C)CC(=O)N(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC000793769110 581312389 /nfs/dbraw/zinc/31/23/89/581312389.db2.gz SDTXPUAVHZGOFS-HOTGVXAUSA-N 2 2 295.427 0.857 20 0 CCADLP COC[C@@]1(C)CC(=O)N(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC000793769110 581312393 /nfs/dbraw/zinc/31/23/93/581312393.db2.gz SDTXPUAVHZGOFS-HOTGVXAUSA-N 2 2 295.427 0.857 20 0 CCADLP Cc1cc(NC[C@H](C)[NH+]2CCN(C)CC2)nc(N)[nH+]1 ZINC000728710304 581368748 /nfs/dbraw/zinc/36/87/48/581368748.db2.gz UCDAXGAXPQEIRH-NSHDSACASA-N 2 2 264.377 0.415 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1CC[NH+]1CCCC1 ZINC000796375178 581438884 /nfs/dbraw/zinc/43/88/84/581438884.db2.gz DXPFUIKPMGCIAI-CABCVRRESA-N 2 2 267.417 0.877 20 0 CCADLP C(C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)C1OCCO1 ZINC000787675815 581475517 /nfs/dbraw/zinc/47/55/17/581475517.db2.gz KJTIVMAHFITHMR-AWEZNQCLSA-N 2 2 284.400 0.936 20 0 CCADLP C(C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)C1OCCO1 ZINC000787675815 581475519 /nfs/dbraw/zinc/47/55/19/581475519.db2.gz KJTIVMAHFITHMR-AWEZNQCLSA-N 2 2 284.400 0.936 20 0 CCADLP CNC(=O)CC[NH+]1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000754650557 581601917 /nfs/dbraw/zinc/60/19/17/581601917.db2.gz PVEJHLZHLCGVGV-UHFFFAOYSA-N 2 2 284.429 0.622 20 0 CCADLP C[C@H](CNC(=O)NCC[N@@H+]1CCO[C@H](C)C1)[NH+](C)C1CC1 ZINC000729604965 581606028 /nfs/dbraw/zinc/60/60/28/581606028.db2.gz DFTPLZWZGBKITE-CHWSQXEVSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](CNC(=O)NCC[N@H+]1CCO[C@H](C)C1)[NH+](C)C1CC1 ZINC000729604965 581606030 /nfs/dbraw/zinc/60/60/30/581606030.db2.gz DFTPLZWZGBKITE-CHWSQXEVSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](CNC(=O)NCC[NH+]1CCO[C@H](C)C1)[N@H+](C)C1CC1 ZINC000729604965 581606031 /nfs/dbraw/zinc/60/60/31/581606031.db2.gz DFTPLZWZGBKITE-CHWSQXEVSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](CNC(=O)NCC[NH+]1CCO[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000729604965 581606033 /nfs/dbraw/zinc/60/60/33/581606033.db2.gz DFTPLZWZGBKITE-CHWSQXEVSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H](CNC(=O)NCC[N@@H+]1CCO[C@H](C)C1)[NH+](C)C1CC1 ZINC000729604967 581606514 /nfs/dbraw/zinc/60/65/14/581606514.db2.gz DFTPLZWZGBKITE-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H](CNC(=O)NCC[N@H+]1CCO[C@H](C)C1)[NH+](C)C1CC1 ZINC000729604967 581606516 /nfs/dbraw/zinc/60/65/16/581606516.db2.gz DFTPLZWZGBKITE-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H](CNC(=O)NCC[NH+]1CCO[C@H](C)C1)[N@H+](C)C1CC1 ZINC000729604967 581606519 /nfs/dbraw/zinc/60/65/19/581606519.db2.gz DFTPLZWZGBKITE-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H](CNC(=O)NCC[NH+]1CCO[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000729604967 581606520 /nfs/dbraw/zinc/60/65/20/581606520.db2.gz DFTPLZWZGBKITE-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP Cn1cc(C(C)(C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cn1 ZINC000754868024 581614027 /nfs/dbraw/zinc/61/40/27/581614027.db2.gz GSGYKABIZVKYHS-ZDUSSCGKSA-N 2 2 266.389 0.702 20 0 CCADLP C[C@H](NC(=S)NCCC[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000769797637 581706773 /nfs/dbraw/zinc/70/67/73/581706773.db2.gz YGZFFQJFSCYYSW-RYUDHWBXSA-N 2 2 288.461 0.121 20 0 CCADLP C[C@H](NC(=S)NCCC[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000769797637 581706775 /nfs/dbraw/zinc/70/67/75/581706775.db2.gz YGZFFQJFSCYYSW-RYUDHWBXSA-N 2 2 288.461 0.121 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cnco3)C2)CC1 ZINC000759082559 581781920 /nfs/dbraw/zinc/78/19/20/581781920.db2.gz HOACFBLNJGKMBQ-NSHDSACASA-N 2 2 278.356 0.573 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cnco3)C2)CC1 ZINC000759082559 581781923 /nfs/dbraw/zinc/78/19/23/581781923.db2.gz HOACFBLNJGKMBQ-NSHDSACASA-N 2 2 278.356 0.573 20 0 CCADLP CN(C)c1nc(N2CC[NH+](CC[S@@](C)=O)CC2)cc[nH+]1 ZINC000771143528 581793388 /nfs/dbraw/zinc/79/33/88/581793388.db2.gz CWAFWNNPDHPFPY-HXUWFJFHSA-N 2 2 297.428 0.043 20 0 CCADLP CCOC(=O)/C=C/C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000756093527 581836039 /nfs/dbraw/zinc/83/60/39/581836039.db2.gz NSXCSOOMEYYWGF-RDFMZFSFSA-N 2 2 282.384 0.760 20 0 CCADLP CCOC(=O)/C=C/C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000756093527 581836041 /nfs/dbraw/zinc/83/60/41/581836041.db2.gz NSXCSOOMEYYWGF-RDFMZFSFSA-N 2 2 282.384 0.760 20 0 CCADLP C[C@H]1C[NH+]=C(N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)S1 ZINC000744609186 581845884 /nfs/dbraw/zinc/84/58/84/581845884.db2.gz WGQWVGRMWQFOJV-NWDGAFQWSA-N 2 2 296.440 0.574 20 0 CCADLP C[C@H]1C[NH+]=C(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)S1 ZINC000744609186 581845888 /nfs/dbraw/zinc/84/58/88/581845888.db2.gz WGQWVGRMWQFOJV-NWDGAFQWSA-N 2 2 296.440 0.574 20 0 CCADLP C/C=C/C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732839013 581851231 /nfs/dbraw/zinc/85/12/31/581851231.db2.gz OOHKDQWWTDBJTA-AAOUONPWSA-N 2 2 251.374 0.847 20 0 CCADLP C/C=C/C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732839013 581851236 /nfs/dbraw/zinc/85/12/36/581851236.db2.gz OOHKDQWWTDBJTA-AAOUONPWSA-N 2 2 251.374 0.847 20 0 CCADLP COC[C@@]1(C)CC(=O)N(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)C1 ZINC000747456283 581941989 /nfs/dbraw/zinc/94/19/89/581941989.db2.gz HZXFSBMLBTWLLW-HIFRSBDPSA-N 2 2 283.416 0.712 20 0 CCADLP COC[C@@]1(C)CC(=O)N(C[N@H+]2CC[C@H](C[NH+](C)C)C2)C1 ZINC000747456283 581941990 /nfs/dbraw/zinc/94/19/90/581941990.db2.gz HZXFSBMLBTWLLW-HIFRSBDPSA-N 2 2 283.416 0.712 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CC(O)(C(C)C)C2)CC1 ZINC000773889786 581945818 /nfs/dbraw/zinc/94/58/18/581945818.db2.gz AODYYMWBSZCRQL-CYBMUJFWSA-N 2 2 283.416 0.242 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cccnc2Cl)C1 ZINC000762570271 581951708 /nfs/dbraw/zinc/95/17/08/581951708.db2.gz ZYFUXFMCXJMODZ-LBPRGKRZSA-N 2 2 255.749 0.891 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cccnc2Cl)C1 ZINC000762570271 581951711 /nfs/dbraw/zinc/95/17/11/581951711.db2.gz ZYFUXFMCXJMODZ-LBPRGKRZSA-N 2 2 255.749 0.891 20 0 CCADLP CCOC(=O)[C@@H]1C[N@H+](CCCn2cc[nH+]c2C)CCO1 ZINC000762925581 581973055 /nfs/dbraw/zinc/97/30/55/581973055.db2.gz IDBHOUTWPGIVNH-ZDUSSCGKSA-N 2 2 281.356 0.846 20 0 CCADLP CCOC(=O)[C@@H]1C[N@@H+](CCCn2cc[nH+]c2C)CCO1 ZINC000762925581 581973057 /nfs/dbraw/zinc/97/30/57/581973057.db2.gz IDBHOUTWPGIVNH-ZDUSSCGKSA-N 2 2 281.356 0.846 20 0 CCADLP CCOC(=O)[C@H]1C[N@H+](CCCn2cc[nH+]c2)CCO1 ZINC000775976230 582048184 /nfs/dbraw/zinc/04/81/84/582048184.db2.gz IQECGXJRHMOGGJ-GFCCVEGCSA-N 2 2 267.329 0.537 20 0 CCADLP CCOC(=O)[C@H]1C[N@@H+](CCCn2cc[nH+]c2)CCO1 ZINC000775976230 582048185 /nfs/dbraw/zinc/04/81/85/582048185.db2.gz IQECGXJRHMOGGJ-GFCCVEGCSA-N 2 2 267.329 0.537 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)CC[NH+]1CCOCC1 ZINC000751353611 582075991 /nfs/dbraw/zinc/07/59/91/582075991.db2.gz HXHOXULYRTWJIG-UHFFFAOYSA-N 2 2 280.372 0.420 20 0 CCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC000925765547 614807982 /nfs/dbraw/zinc/80/79/82/614807982.db2.gz KSUNBZJEZPKTMX-WDEREUQCSA-N 2 2 260.403 0.684 20 0 CCADLP CCS(=O)(=O)CC[NH2+]C[C@H]1CC[N@H+](CC(C)C)C1 ZINC000819151681 615537929 /nfs/dbraw/zinc/53/79/29/615537929.db2.gz DMXYHNRONXAFMP-CYBMUJFWSA-N 2 2 276.446 0.989 20 0 CCADLP CCS(=O)(=O)CC[NH2+]C[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000819151681 615537931 /nfs/dbraw/zinc/53/79/31/615537931.db2.gz DMXYHNRONXAFMP-CYBMUJFWSA-N 2 2 276.446 0.989 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)o1 ZINC000820308515 599403359 /nfs/dbraw/zinc/40/33/59/599403359.db2.gz WHTXCNMFZDBAFN-SECBINFHSA-N 2 2 273.300 0.835 20 0 CCADLP CC(C)NC(=O)C[NH+]1CCN(CCC[NH2+]C2CC2)CC1 ZINC000923317974 613915942 /nfs/dbraw/zinc/91/59/42/613915942.db2.gz HPEYJVWAOXXHDY-UHFFFAOYSA-N 2 2 282.432 0.271 20 0 CCADLP COc1cccc(OC)c1OC[C@H](O)C[N@H+](C)C[C@@H](C)[NH3+] ZINC000923411880 617305944 /nfs/dbraw/zinc/30/59/44/617305944.db2.gz UUQNKVWYYMKEES-VXGBXAGGSA-N 2 2 298.383 0.723 20 0 CCADLP COc1cccc(OC)c1OC[C@H](O)C[N@@H+](C)C[C@@H](C)[NH3+] ZINC000923411880 617305945 /nfs/dbraw/zinc/30/59/45/617305945.db2.gz UUQNKVWYYMKEES-VXGBXAGGSA-N 2 2 298.383 0.723 20 0 CCADLP COc1cccc(OC)c1OC[C@@H](O)C[N@H+](C)[C@@H](C)C[NH3+] ZINC000923292051 617306103 /nfs/dbraw/zinc/30/61/03/617306103.db2.gz WSFKAXPILBVQCR-RYUDHWBXSA-N 2 2 298.383 0.723 20 0 CCADLP COc1cccc(OC)c1OC[C@@H](O)C[N@@H+](C)[C@@H](C)C[NH3+] ZINC000923292051 617306104 /nfs/dbraw/zinc/30/61/04/617306104.db2.gz WSFKAXPILBVQCR-RYUDHWBXSA-N 2 2 298.383 0.723 20 0 CCADLP COc1ccccc1[C@H]([NH3+])CNC(=O)C[C@H]([NH3+])C(F)F ZINC000911663176 617318475 /nfs/dbraw/zinc/31/84/75/617318475.db2.gz CCNIIFPRMYEQRX-VHSXEESVSA-N 2 2 287.310 0.794 20 0 CCADLP CC(C)C(=O)NC1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000915679797 613906492 /nfs/dbraw/zinc/90/64/92/613906492.db2.gz FSYIXBHOVAJNGU-HNNXBMFYSA-N 2 2 297.443 0.680 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N1CC[NH+]2CC[C@H]1C2 ZINC000897877486 613938860 /nfs/dbraw/zinc/93/88/60/613938860.db2.gz WHIOEFZERCMPIP-RYUDHWBXSA-N 2 2 251.374 0.776 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@H]1C(=O)N1CC[NH+]2CC[C@H]1C2 ZINC000897877486 613938862 /nfs/dbraw/zinc/93/88/62/613938862.db2.gz WHIOEFZERCMPIP-RYUDHWBXSA-N 2 2 251.374 0.776 20 0 CCADLP CC(C)(C)[NH+]1CC[C@H]1C(=O)N1CC[N@@H+]2CC[C@H]1C2 ZINC000897877486 613938866 /nfs/dbraw/zinc/93/88/66/613938866.db2.gz WHIOEFZERCMPIP-RYUDHWBXSA-N 2 2 251.374 0.776 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H]2CC3(CC3)C(=O)O2)CC1 ZINC000846940261 613940104 /nfs/dbraw/zinc/94/01/04/613940104.db2.gz ROFPCSDSDADPOJ-CYBMUJFWSA-N 2 2 296.411 0.907 20 0 CCADLP CC(C)(C)n1nnc(CC[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)n1 ZINC000872153770 614070170 /nfs/dbraw/zinc/07/01/70/614070170.db2.gz IOYYGFPZEITTPB-SMDDNHRTSA-N 2 2 278.404 0.512 20 0 CCADLP CC(C)(C)n1nnc(CC[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)n1 ZINC000872153770 614070172 /nfs/dbraw/zinc/07/01/72/614070172.db2.gz IOYYGFPZEITTPB-SMDDNHRTSA-N 2 2 278.404 0.512 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C[C@H](O)COC(C)C)C1 ZINC000871978655 614098262 /nfs/dbraw/zinc/09/82/62/614098262.db2.gz XQKMUDSGRZMHSW-GJZGRUSLSA-N 2 2 288.432 0.719 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C[C@H](O)COC(C)C)C1 ZINC000871978655 614098263 /nfs/dbraw/zinc/09/82/63/614098263.db2.gz XQKMUDSGRZMHSW-GJZGRUSLSA-N 2 2 288.432 0.719 20 0 CCADLP CC(C)[C@@H](O)CC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000877958616 614144312 /nfs/dbraw/zinc/14/43/12/614144312.db2.gz NXYAUMOYEUHXDI-ZDUSSCGKSA-N 2 2 271.405 0.099 20 0 CCADLP CC(C)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000939858661 614152366 /nfs/dbraw/zinc/15/23/66/614152366.db2.gz CAFRTIFUZUXIJV-CHWSQXEVSA-N 2 2 264.373 0.976 20 0 CCADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC000905702309 614188107 /nfs/dbraw/zinc/18/81/07/614188107.db2.gz OCDOFDYTORSTLU-ZNMIVQPWSA-N 2 2 288.432 0.455 20 0 CCADLP CC(C)[C@H](C(=O)N[C@@H](CO)c1c[nH+]cn1C)[NH+](C)C ZINC000898884256 614191596 /nfs/dbraw/zinc/19/15/96/614191596.db2.gz QQHWCPMVLHYCDT-CMPLNLGQSA-N 2 2 268.361 0.156 20 0 CCADLP CC(C)[C@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C)[NH+]1CCOCC1 ZINC000913992664 614209236 /nfs/dbraw/zinc/20/92/36/614209236.db2.gz FWZDJPCNZMFWGJ-KBPBESRZSA-N 2 2 298.431 0.347 20 0 CCADLP CC(C)[C@H](CNC(=O)NC[C@@H]1CC[N@H+]1C)[NH+]1CCOCC1 ZINC000913992664 614209238 /nfs/dbraw/zinc/20/92/38/614209238.db2.gz FWZDJPCNZMFWGJ-KBPBESRZSA-N 2 2 298.431 0.347 20 0 CCADLP CC(C)[C@H](O)CC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000877958615 614256753 /nfs/dbraw/zinc/25/67/53/614256753.db2.gz NXYAUMOYEUHXDI-CYBMUJFWSA-N 2 2 271.405 0.099 20 0 CCADLP CC1CCN(C(=[NH2+])NCC[N@H+](C)CCOCCO)CC1 ZINC000887324012 614425518 /nfs/dbraw/zinc/42/55/18/614425518.db2.gz OKWZZJXSOYOQTO-UHFFFAOYSA-N 2 2 286.420 0.183 20 0 CCADLP CC1CCN(C(=[NH2+])NCC[N@@H+](C)CCOCCO)CC1 ZINC000887324012 614425521 /nfs/dbraw/zinc/42/55/21/614425521.db2.gz OKWZZJXSOYOQTO-UHFFFAOYSA-N 2 2 286.420 0.183 20 0 CCADLP CCC(=O)CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000852708231 614446175 /nfs/dbraw/zinc/44/61/75/614446175.db2.gz UOINNYGUKUCUIH-CQSZACIVSA-N 2 2 254.374 0.887 20 0 CCADLP CCC(=O)CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000852708231 614446177 /nfs/dbraw/zinc/44/61/77/614446177.db2.gz UOINNYGUKUCUIH-CQSZACIVSA-N 2 2 254.374 0.887 20 0 CCADLP CC1(C)CC[C@H](CNC(=O)NCCn2cc[nH+]c2)[NH2+]C1 ZINC000874433974 614573296 /nfs/dbraw/zinc/57/32/96/614573296.db2.gz WTILKSKKLJRGJM-GFCCVEGCSA-N 2 2 279.388 0.961 20 0 CCADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+](CCCF)C1 ZINC000949796907 614670776 /nfs/dbraw/zinc/67/07/76/614670776.db2.gz WCZPCJIABMIJRE-CYBMUJFWSA-N 2 2 271.380 0.973 20 0 CCADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)C1C[NH+](CCCF)C1 ZINC000949796907 614670779 /nfs/dbraw/zinc/67/07/79/614670779.db2.gz WCZPCJIABMIJRE-CYBMUJFWSA-N 2 2 271.380 0.973 20 0 CCADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C1C[NH+](CCCO)C1 ZINC000950049284 614670975 /nfs/dbraw/zinc/67/09/75/614670975.db2.gz UNNIRGBIGIPSHO-OAHLLOKOSA-N 2 2 297.443 0.774 20 0 CCADLP CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C1C[NH+](CCCO)C1 ZINC000950049284 614670977 /nfs/dbraw/zinc/67/09/77/614670977.db2.gz UNNIRGBIGIPSHO-OAHLLOKOSA-N 2 2 297.443 0.774 20 0 CCADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C1C[NH+](C[C@@H](C)O)C1 ZINC000950063691 614671524 /nfs/dbraw/zinc/67/15/24/614671524.db2.gz OCTIJLVPPSBJOX-UKRRQHHQSA-N 2 2 297.443 0.773 20 0 CCADLP CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C1C[NH+](C[C@@H](C)O)C1 ZINC000950063691 614671528 /nfs/dbraw/zinc/67/15/28/614671528.db2.gz OCTIJLVPPSBJOX-UKRRQHHQSA-N 2 2 297.443 0.773 20 0 CCADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C1C[NH+](C[C@H](C)O)C1 ZINC000950063687 614671553 /nfs/dbraw/zinc/67/15/53/614671553.db2.gz OCTIJLVPPSBJOX-DZGCQCFKSA-N 2 2 297.443 0.773 20 0 CCADLP CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C1C[NH+](C[C@H](C)O)C1 ZINC000950063687 614671555 /nfs/dbraw/zinc/67/15/55/614671555.db2.gz OCTIJLVPPSBJOX-DZGCQCFKSA-N 2 2 297.443 0.773 20 0 CCADLP CCC[NH+]1CCN(C(=O)/C=C(\C)C[NH+]2CCOCC2)CC1 ZINC000900555951 614684393 /nfs/dbraw/zinc/68/43/93/614684393.db2.gz NAAVDMAHHNYAGW-FYWRMAATSA-N 2 2 295.427 0.819 20 0 CCADLP CCC1(CC)CNC(=O)[C@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000933287042 614688631 /nfs/dbraw/zinc/68/86/31/614688631.db2.gz SOPZVPNKOJFHCJ-QWHCGFSZSA-N 2 2 283.416 0.336 20 0 CCADLP CCC1(CC)CNC(=O)[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000933287042 614688632 /nfs/dbraw/zinc/68/86/32/614688632.db2.gz SOPZVPNKOJFHCJ-QWHCGFSZSA-N 2 2 283.416 0.336 20 0 CCADLP CC1(C)C[NH2+]CC[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000902397625 614703591 /nfs/dbraw/zinc/70/35/91/614703591.db2.gz NKZHBRVHZPILFJ-KBPBESRZSA-N 3 2 296.459 0.694 20 0 CCADLP CC1(C)C[NH2+]CC[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000902397625 614703595 /nfs/dbraw/zinc/70/35/95/614703595.db2.gz NKZHBRVHZPILFJ-KBPBESRZSA-N 3 2 296.459 0.694 20 0 CCADLP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000902364185 614703632 /nfs/dbraw/zinc/70/36/32/614703632.db2.gz PNVUHYPODMWNLS-KBPBESRZSA-N 3 2 269.433 0.811 20 0 CCADLP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000884196913 614704941 /nfs/dbraw/zinc/70/49/41/614704941.db2.gz FLUJIHFYCKZDGF-ZIAGYGMSSA-N 2 2 295.427 0.555 20 0 CCADLP CC1(C)C[NH2+]C[C@H]1C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000884196910 614708394 /nfs/dbraw/zinc/70/83/94/614708394.db2.gz FLUJIHFYCKZDGF-KBPBESRZSA-N 2 2 295.427 0.555 20 0 CCADLP CC1(C)CO[C@H](C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000872142812 614735515 /nfs/dbraw/zinc/73/55/15/614735515.db2.gz DBCNDPVQLCFFLF-KGLIPLIRSA-N 2 2 295.427 0.698 20 0 CCADLP CC1(C)CO[C@H](C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000872142812 614735520 /nfs/dbraw/zinc/73/55/20/614735520.db2.gz DBCNDPVQLCFFLF-KGLIPLIRSA-N 2 2 295.427 0.698 20 0 CCADLP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2nnc3n2CCNC3=O)C1 ZINC000925765972 614741404 /nfs/dbraw/zinc/74/14/04/614741404.db2.gz NTAKSCWVWCONCI-UWVGGRQHSA-N 2 2 292.387 0.017 20 0 CCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000925690011 614807546 /nfs/dbraw/zinc/80/75/46/614807546.db2.gz JGHXXPCMORGVQT-XQQFMLRXSA-N 2 2 253.390 0.580 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](CCO)Cc1ccc(OC)cc1 ZINC000880572564 614865886 /nfs/dbraw/zinc/86/58/86/614865886.db2.gz WVUNOCZZZSNDBW-HNNXBMFYSA-N 2 2 296.411 0.802 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](CCO)Cc1ccc(OC)cc1 ZINC000880572564 614865888 /nfs/dbraw/zinc/86/58/88/614865888.db2.gz WVUNOCZZZSNDBW-HNNXBMFYSA-N 2 2 296.411 0.802 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](CCO)Cc1ccc(OC)cc1 ZINC000880572564 614865890 /nfs/dbraw/zinc/86/58/90/614865890.db2.gz WVUNOCZZZSNDBW-HNNXBMFYSA-N 2 2 296.411 0.802 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](CCO)Cc1ccc(OC)cc1 ZINC000880572564 614865891 /nfs/dbraw/zinc/86/58/91/614865891.db2.gz WVUNOCZZZSNDBW-HNNXBMFYSA-N 2 2 296.411 0.802 20 0 CCADLP CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000960526299 614873717 /nfs/dbraw/zinc/87/37/17/614873717.db2.gz JTALUNYEFGGWAE-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000960526299 614873720 /nfs/dbraw/zinc/87/37/20/614873720.db2.gz JTALUNYEFGGWAE-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000960526299 614873721 /nfs/dbraw/zinc/87/37/21/614873721.db2.gz JTALUNYEFGGWAE-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000960526299 614873724 /nfs/dbraw/zinc/87/37/24/614873724.db2.gz JTALUNYEFGGWAE-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CC1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)OCCCO1 ZINC000848547276 614903053 /nfs/dbraw/zinc/90/30/53/614903053.db2.gz LYVHDNNXODGLER-AWEZNQCLSA-N 2 2 284.400 0.982 20 0 CCADLP CC1([NH+]2CCC2)CC[NH+](C[C@H]2COCCO2)CC1 ZINC000880475822 614912330 /nfs/dbraw/zinc/91/23/30/614912330.db2.gz YLIMVKMDZRTVJA-ZDUSSCGKSA-N 2 2 254.374 0.962 20 0 CCADLP CC1=NO[C@@H](C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000827413474 614981380 /nfs/dbraw/zinc/98/13/80/614981380.db2.gz GYJXQBUIBZRVGZ-TZMCWYRMSA-N 2 2 294.399 0.436 20 0 CCADLP CC1=NO[C@@H](C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000827413474 614981382 /nfs/dbraw/zinc/98/13/82/614981382.db2.gz GYJXQBUIBZRVGZ-TZMCWYRMSA-N 2 2 294.399 0.436 20 0 CCADLP CC1=NO[C@H](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000895300472 615008152 /nfs/dbraw/zinc/00/81/52/615008152.db2.gz MRRYEWCJERRUHK-KGLIPLIRSA-N 2 2 267.373 0.994 20 0 CCADLP CC[NH2+]CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000852912591 615077152 /nfs/dbraw/zinc/07/71/52/615077152.db2.gz AQQSOEPDRPNIMB-CQSZACIVSA-N 3 2 282.432 0.223 20 0 CCADLP CC[NH2+]CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000852912591 615077154 /nfs/dbraw/zinc/07/71/54/615077154.db2.gz AQQSOEPDRPNIMB-CQSZACIVSA-N 3 2 282.432 0.223 20 0 CCADLP CC[NH2+]CC1CCN(C(=O)C[C@@H]([NH3+])C(F)F)CC1 ZINC000911863322 615084874 /nfs/dbraw/zinc/08/48/74/615084874.db2.gz DVUSBGHIUUUPQW-SNVBAGLBSA-N 2 2 263.332 0.817 20 0 CCADLP CC[NH+]1CCC(N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900519239 615099460 /nfs/dbraw/zinc/09/94/60/615099460.db2.gz WQUSOPQPICKXHC-UHFFFAOYSA-N 2 2 250.346 0.895 20 0 CCADLP CC[N@@H+]1CCC[C@@H](N2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)C1 ZINC000925290359 615125577 /nfs/dbraw/zinc/12/55/77/615125577.db2.gz BHQHNIMBCPYZMB-NEPJUHHUSA-N 2 2 291.355 0.357 20 0 CCADLP CC[N@H+]1CCC[C@@H](N2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)C1 ZINC000925290359 615125578 /nfs/dbraw/zinc/12/55/78/615125578.db2.gz BHQHNIMBCPYZMB-NEPJUHHUSA-N 2 2 291.355 0.357 20 0 CCADLP CC[N@@H+]1CCC[C@@H](N2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)C1 ZINC000925290359 615125579 /nfs/dbraw/zinc/12/55/79/615125579.db2.gz BHQHNIMBCPYZMB-NEPJUHHUSA-N 2 2 291.355 0.357 20 0 CCADLP CC[N@H+]1CCC[C@@H](N2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)C1 ZINC000925290359 615125580 /nfs/dbraw/zinc/12/55/80/615125580.db2.gz BHQHNIMBCPYZMB-NEPJUHHUSA-N 2 2 291.355 0.357 20 0 CCADLP CCOC(=O)/C=C/C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000931548430 615143895 /nfs/dbraw/zinc/14/38/95/615143895.db2.gz HIKALDNMVMUKJW-SNAWJCMRSA-N 2 2 295.427 0.818 20 0 CCADLP CCOC(=O)/C=C/C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000930823855 615144797 /nfs/dbraw/zinc/14/47/97/615144797.db2.gz WRBJUNBUQNTYAU-SNAWJCMRSA-N 2 2 282.384 0.902 20 0 CCADLP CCOC(=O)/C=C/C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000930823855 615144799 /nfs/dbraw/zinc/14/47/99/615144799.db2.gz WRBJUNBUQNTYAU-SNAWJCMRSA-N 2 2 282.384 0.902 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CNC(=S)NN1CC[NH+](C)CC1 ZINC000884003613 615146495 /nfs/dbraw/zinc/14/64/95/615146495.db2.gz BTTSTSUAUNMYHT-LBPRGKRZSA-N 2 2 285.461 0.097 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNC(=S)NN1CC[NH+](C)CC1 ZINC000884003613 615146497 /nfs/dbraw/zinc/14/64/97/615146497.db2.gz BTTSTSUAUNMYHT-LBPRGKRZSA-N 2 2 285.461 0.097 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](CF)C2)CC1 ZINC000880290990 615152293 /nfs/dbraw/zinc/15/22/93/615152293.db2.gz AIVZDUNSGJRNTM-STQMWFEESA-N 2 2 271.380 0.830 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](CF)C2)CC1 ZINC000880290990 615152294 /nfs/dbraw/zinc/15/22/94/615152294.db2.gz AIVZDUNSGJRNTM-STQMWFEESA-N 2 2 271.380 0.830 20 0 CCADLP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925547333 615162338 /nfs/dbraw/zinc/16/23/38/615162338.db2.gz NKCCRCWCJAHPGK-QLFBSQMISA-N 3 2 268.449 0.743 20 0 CCADLP CC[N@@H+]1CC[C@@H](CNC(=O)/C=C(\C)C[NH+]2CCOCC2)C1 ZINC000900307574 615204145 /nfs/dbraw/zinc/20/41/45/615204145.db2.gz MYQURTSSQRBJIT-IPJDOKCGSA-N 2 2 295.427 0.723 20 0 CCADLP CC[N@H+]1CC[C@@H](CNC(=O)/C=C(\C)C[NH+]2CCOCC2)C1 ZINC000900307574 615204147 /nfs/dbraw/zinc/20/41/47/615204147.db2.gz MYQURTSSQRBJIT-IPJDOKCGSA-N 2 2 295.427 0.723 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945809184 615214472 /nfs/dbraw/zinc/21/44/72/615214472.db2.gz RTUKWXJVCYLQKB-NWDGAFQWSA-N 2 2 250.346 0.730 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945809184 615214473 /nfs/dbraw/zinc/21/44/73/615214473.db2.gz RTUKWXJVCYLQKB-NWDGAFQWSA-N 2 2 250.346 0.730 20 0 CCADLP CCOC(=O)N1CCC([C@@H](C)[NH2+][C@H]2C[NH2+]CCOC2)CC1 ZINC000925644335 615226578 /nfs/dbraw/zinc/22/65/78/615226578.db2.gz LQLJGEAKYIZYAO-OCCSQVGLSA-N 2 2 299.415 0.821 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000882493768 615256764 /nfs/dbraw/zinc/25/67/64/615256764.db2.gz LNFIYJNJJMUWET-WCQYABFASA-N 2 2 262.357 0.656 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000882493768 615256766 /nfs/dbraw/zinc/25/67/66/615256766.db2.gz LNFIYJNJJMUWET-WCQYABFASA-N 2 2 262.357 0.656 20 0 CCADLP CCOCC[C@H](O)C[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880136913 615300756 /nfs/dbraw/zinc/30/07/56/615300756.db2.gz UPEWJGAFGRIJOG-MELADBBJSA-N 2 2 256.390 0.942 20 0 CCADLP CCOCC[C@H](O)C[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880136913 615300759 /nfs/dbraw/zinc/30/07/59/615300759.db2.gz UPEWJGAFGRIJOG-MELADBBJSA-N 2 2 256.390 0.942 20 0 CCADLP CCOCC[C@H](O)C[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880136913 615300762 /nfs/dbraw/zinc/30/07/62/615300762.db2.gz UPEWJGAFGRIJOG-MELADBBJSA-N 2 2 256.390 0.942 20 0 CCADLP CCOCC[C@H](O)C[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880136913 615300763 /nfs/dbraw/zinc/30/07/63/615300763.db2.gz UPEWJGAFGRIJOG-MELADBBJSA-N 2 2 256.390 0.942 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000922156052 615312565 /nfs/dbraw/zinc/31/25/65/615312565.db2.gz JDXBBLHYJZTIGS-ZDUSSCGKSA-N 2 2 276.384 0.972 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000922156052 615312566 /nfs/dbraw/zinc/31/25/66/615312566.db2.gz JDXBBLHYJZTIGS-ZDUSSCGKSA-N 2 2 276.384 0.972 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)NCc1c[nH+]cn1C ZINC000883652060 615319280 /nfs/dbraw/zinc/31/92/80/615319280.db2.gz AQBQOFIFKJDEQR-JTQLQIEISA-N 2 2 251.334 0.314 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)NCc1c[nH+]cn1C ZINC000883652060 615319282 /nfs/dbraw/zinc/31/92/82/615319282.db2.gz AQBQOFIFKJDEQR-JTQLQIEISA-N 2 2 251.334 0.314 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000882960875 615327578 /nfs/dbraw/zinc/32/75/78/615327578.db2.gz YFPMZARKWCKMEQ-MNOVXSKESA-N 2 2 265.361 0.775 20 0 CCADLP CC[N@H+]1CC[C@H]1CNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000882960875 615327581 /nfs/dbraw/zinc/32/75/81/615327581.db2.gz YFPMZARKWCKMEQ-MNOVXSKESA-N 2 2 265.361 0.775 20 0 CCADLP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)[nH]2)C1)[NH+](C)C ZINC000969986343 615374576 /nfs/dbraw/zinc/37/45/76/615374576.db2.gz YCPUKFSEEACFOL-NEPJUHHUSA-N 2 2 294.403 0.144 20 0 CCADLP CCO[C@@H](CNC(=O)N[C@H]1Cc2c[nH+]cn2C1)C[NH+](C)C ZINC000926854950 615407822 /nfs/dbraw/zinc/40/78/22/615407822.db2.gz QBEKIFFGGJHJNX-AAEUAGOBSA-N 2 2 295.387 0.074 20 0 CCADLP CCO[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[NH+](C)C ZINC000831708652 615408339 /nfs/dbraw/zinc/40/83/39/615408339.db2.gz SWNDIZYGAVKWNG-QJPTWQEYSA-N 2 2 280.372 0.596 20 0 CCADLP CCO[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[NH+](C)C ZINC000831708652 615408341 /nfs/dbraw/zinc/40/83/41/615408341.db2.gz SWNDIZYGAVKWNG-QJPTWQEYSA-N 2 2 280.372 0.596 20 0 CCADLP CCO[C@@H]1C[C@H](O)C12CC[NH+](C[C@H]1CCC[NH2+]1)CC2 ZINC000903439539 615447780 /nfs/dbraw/zinc/44/77/80/615447780.db2.gz JYNQLOCBUPEZHS-HZSPNIEDSA-N 2 2 268.401 0.990 20 0 CCADLP CC[C@@H](C)NC(=[NH2+])NCC1([NH+]2CCOCC2)CCOCC1 ZINC000849040484 615457631 /nfs/dbraw/zinc/45/76/31/615457631.db2.gz XUQMVISILNJOSD-CYBMUJFWSA-N 2 2 298.431 0.780 20 0 CCADLP CC[C@@H](C)NC(=O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879591371 615458947 /nfs/dbraw/zinc/45/89/47/615458947.db2.gz VBMCGJXBGBBXID-CQSZACIVSA-N 2 2 296.459 0.613 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)Cn1cc[nH+]c1C ZINC000928647255 615477602 /nfs/dbraw/zinc/47/76/02/615477602.db2.gz NQXHAINBCNQHRM-ZDUSSCGKSA-N 2 2 280.372 0.419 20 0 CCADLP CCO[C@H](CNCc1c[nH+]c2n1CCC2)C[NH+](C)C ZINC000922756716 615484014 /nfs/dbraw/zinc/48/40/14/615484014.db2.gz TYQQVQVMZYSGLD-CYBMUJFWSA-N 2 2 266.389 0.886 20 0 CCADLP CCO[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)C[NH+](C)C ZINC000925842085 615484659 /nfs/dbraw/zinc/48/46/59/615484659.db2.gz VYOVBYHMCHWBOO-MCIONIFRSA-N 3 2 257.422 0.931 20 0 CCADLP CCO[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)C[NH+](C)C ZINC000925842087 615484665 /nfs/dbraw/zinc/48/46/65/615484665.db2.gz VYOVBYHMCHWBOO-MJBXVCDLSA-N 3 2 257.422 0.931 20 0 CCADLP CCS(=O)(=O)CCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903471195 615530791 /nfs/dbraw/zinc/53/07/91/615530791.db2.gz RNJQHXXMHNOUIR-LLVKDONJSA-N 2 2 260.403 0.685 20 0 CCADLP CC[C@@H]([NH2+]C[C@]1(OC)CCS(=O)(=O)C1)[C@@H]1CCC[NH2+]1 ZINC000925827931 615535953 /nfs/dbraw/zinc/53/59/53/615535953.db2.gz YHVRQDIFFYQINR-FRRDWIJNSA-N 2 2 290.429 0.310 20 0 CCADLP CC[C@@H]([NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1)[C@@H]1CCC[NH2+]1 ZINC000902504049 615538629 /nfs/dbraw/zinc/53/86/29/615538629.db2.gz ZVEZNOXAKWCVCG-UPJWGTAASA-N 2 2 291.399 0.881 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C1CC[NH+](C)CC1 ZINC000874702489 615566833 /nfs/dbraw/zinc/56/68/33/615566833.db2.gz LYEOGGZSBMFSFA-CQSZACIVSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C1CC[NH+](C)CC1 ZINC000874702489 615566834 /nfs/dbraw/zinc/56/68/34/615566834.db2.gz LYEOGGZSBMFSFA-CQSZACIVSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000877435198 615568434 /nfs/dbraw/zinc/56/84/34/615568434.db2.gz ZEXPNXPBSSKETR-ILXRZTDVSA-N 2 2 295.427 0.744 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000877435198 615568435 /nfs/dbraw/zinc/56/84/35/615568435.db2.gz ZEXPNXPBSSKETR-ILXRZTDVSA-N 2 2 295.427 0.744 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000877432729 615568549 /nfs/dbraw/zinc/56/85/49/615568549.db2.gz FZRMQYVEPPADAB-UPJWGTAASA-N 2 2 283.416 0.587 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000877432729 615568550 /nfs/dbraw/zinc/56/85/50/615568550.db2.gz FZRMQYVEPPADAB-UPJWGTAASA-N 2 2 283.416 0.587 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNc1nc(N)cc(C)[nH+]1 ZINC000895087230 615569619 /nfs/dbraw/zinc/56/96/19/615569619.db2.gz HPPIJFCZOSAWQN-LLVKDONJSA-N 2 2 265.361 0.890 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNc1nc(N)cc(C)[nH+]1 ZINC000895087230 615569620 /nfs/dbraw/zinc/56/96/20/615569620.db2.gz HPPIJFCZOSAWQN-LLVKDONJSA-N 2 2 265.361 0.890 20 0 CCADLP CCc1c[nH]c2nc[nH+]c(NC[C@]3(O)CC[N@H+](C)C3)c12 ZINC000893186756 615609911 /nfs/dbraw/zinc/60/99/11/615609911.db2.gz CWOLURLYQFBUND-CQSZACIVSA-N 2 2 275.356 0.999 20 0 CCADLP CCc1c[nH]c2nc[nH+]c(NC[C@]3(O)CC[N@@H+](C)C3)c12 ZINC000893186756 615609912 /nfs/dbraw/zinc/60/99/12/615609912.db2.gz CWOLURLYQFBUND-CQSZACIVSA-N 2 2 275.356 0.999 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925434121 615716876 /nfs/dbraw/zinc/71/68/76/615716876.db2.gz YOGJQHCFDRSEIE-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CC[N@H+]1C ZINC000925434121 615716878 /nfs/dbraw/zinc/71/68/78/615716878.db2.gz YOGJQHCFDRSEIE-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CC[N@@H+]1CC ZINC000924021833 615717041 /nfs/dbraw/zinc/71/70/41/615717041.db2.gz OGAKVYYKAXWRMH-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CC[N@H+]1CC ZINC000924021833 615717042 /nfs/dbraw/zinc/71/70/42/615717042.db2.gz OGAKVYYKAXWRMH-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CCc1ncc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)o1 ZINC000923351819 615773034 /nfs/dbraw/zinc/77/30/34/615773034.db2.gz CBKNIDHTRJMNTG-GFCCVEGCSA-N 2 2 264.373 0.717 20 0 CCADLP C[NH+](C)C1(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)CCC1 ZINC000857943629 615843446 /nfs/dbraw/zinc/84/34/46/615843446.db2.gz JFTUDSBICXOAKF-LLVKDONJSA-N 2 2 262.357 0.798 20 0 CCADLP C[NH+](C)C1(C)CC[NH+](CCN2CCOC2=O)CC1 ZINC000931350302 615846089 /nfs/dbraw/zinc/84/60/89/615846089.db2.gz WPOJPBKFZUSPTM-UHFFFAOYSA-N 2 2 255.362 0.855 20 0 CCADLP C[NH+](C)C1(CNC(=O)/C=C\C[NH+]2CCOCC2)CCCC1 ZINC000864893934 615846343 /nfs/dbraw/zinc/84/63/43/615846343.db2.gz SECMNAXAAKUNNZ-WAYWQWQTSA-N 2 2 295.427 0.865 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CC1OCCCO1 ZINC000855414754 615878831 /nfs/dbraw/zinc/87/88/31/615878831.db2.gz KSCSRGVCPMMWTE-UHFFFAOYSA-N 2 2 287.404 0.139 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CC1OCCCO1 ZINC000855414754 615878832 /nfs/dbraw/zinc/87/88/32/615878832.db2.gz KSCSRGVCPMMWTE-UHFFFAOYSA-N 2 2 287.404 0.139 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870953227 615879512 /nfs/dbraw/zinc/87/95/12/615879512.db2.gz QDNRQFCYKNPZPR-OKILXGFUSA-N 3 2 284.448 0.504 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870953227 615879514 /nfs/dbraw/zinc/87/95/14/615879514.db2.gz QDNRQFCYKNPZPR-OKILXGFUSA-N 3 2 284.448 0.504 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)Cn1c[nH+]cc1C ZINC000874709490 615923801 /nfs/dbraw/zinc/92/38/01/615923801.db2.gz DOUZIHFWRKUFOA-ZDUSSCGKSA-N 2 2 280.372 0.419 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)Cn1c[nH+]cc1C ZINC000874709490 615923803 /nfs/dbraw/zinc/92/38/03/615923803.db2.gz DOUZIHFWRKUFOA-ZDUSSCGKSA-N 2 2 280.372 0.419 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000877433987 615927205 /nfs/dbraw/zinc/92/72/05/615927205.db2.gz LGPQNVISWKPSRS-DCAQKATOSA-N 2 2 291.342 0.053 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000877433987 615927208 /nfs/dbraw/zinc/92/72/08/615927208.db2.gz LGPQNVISWKPSRS-DCAQKATOSA-N 2 2 291.342 0.053 20 0 CCADLP C[NH+](C)C[C@H](N)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000876741583 615942518 /nfs/dbraw/zinc/94/25/18/615942518.db2.gz ODTVTABBPHHWCR-AWEZNQCLSA-N 2 2 287.367 0.377 20 0 CCADLP C[NH+](C)Cc1cnc(CN2CC[N@H+](C)C[C@H]2CO)s1 ZINC000877644175 615957794 /nfs/dbraw/zinc/95/77/94/615957794.db2.gz NBUORHPTORCKBS-NSHDSACASA-N 2 2 284.429 0.313 20 0 CCADLP C[NH+](C)Cc1cnc(CN2CC[N@@H+](C)C[C@H]2CO)s1 ZINC000877644175 615957798 /nfs/dbraw/zinc/95/77/98/615957798.db2.gz NBUORHPTORCKBS-NSHDSACASA-N 2 2 284.429 0.313 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000866363187 615978226 /nfs/dbraw/zinc/97/82/26/615978226.db2.gz KEZVZJGVFNAGEN-SJPZSHDVSA-N 2 2 295.427 0.864 20 0 CCADLP C[NH+](C)[C@@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC000864069727 615986303 /nfs/dbraw/zinc/98/63/03/615986303.db2.gz HDIZKIUDZIIYFS-NWDGAFQWSA-N 2 2 262.357 0.941 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C)c1ccco1 ZINC000899957156 615991068 /nfs/dbraw/zinc/99/10/68/615991068.db2.gz JHMLOXOPKGFSEU-JMSVASOKSA-N 2 2 295.383 0.454 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)c1ccco1 ZINC000899957156 615991069 /nfs/dbraw/zinc/99/10/69/615991069.db2.gz JHMLOXOPKGFSEU-JMSVASOKSA-N 2 2 295.383 0.454 20 0 CCADLP CCn1cc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)c(C)n1 ZINC000892713014 615995856 /nfs/dbraw/zinc/99/58/56/615995856.db2.gz GXEGMATXCYJKFC-UHFFFAOYSA-N 2 2 279.388 0.075 20 0 CCADLP C[NH+](C)[C@]1(C[NH2+][C@H]2CCO[C@]23CCOC3)CCSC1 ZINC000903104889 615999471 /nfs/dbraw/zinc/99/94/71/615999471.db2.gz NFTGJLOORBXBPS-IHRRRGAJSA-N 2 2 286.441 0.961 20 0 CCADLP CN(C)c1cc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)nc[nH+]1 ZINC000894076385 616009943 /nfs/dbraw/zinc/00/99/43/616009943.db2.gz OODWSDFHFYYFMZ-TXEJJXNPSA-N 2 2 277.372 0.818 20 0 CCADLP CN(C)c1cc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)nc[nH+]1 ZINC000894076385 616009945 /nfs/dbraw/zinc/00/99/45/616009945.db2.gz OODWSDFHFYYFMZ-TXEJJXNPSA-N 2 2 277.372 0.818 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+](C[C@H]2COC(C)(C)O2)CC1 ZINC000851772194 616076065 /nfs/dbraw/zinc/07/60/65/616076065.db2.gz AEFHYOPXRUIYDT-AWEZNQCLSA-N 2 2 286.416 0.917 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+](C[C@H]2COC(C)(C)O2)CC1 ZINC000851772194 616076066 /nfs/dbraw/zinc/07/60/66/616076066.db2.gz AEFHYOPXRUIYDT-AWEZNQCLSA-N 2 2 286.416 0.917 20 0 CCADLP Cn1cc(C[N@H+](C)[C@H]2C[C@H]([NH3+])C[C@@H]2O)c(C(F)(F)F)n1 ZINC000923374335 616090430 /nfs/dbraw/zinc/09/04/30/616090430.db2.gz VUGMSUINDMCISK-GUBZILKMSA-N 2 2 292.305 0.721 20 0 CCADLP Cn1cc(C[N@@H+](C)[C@H]2C[C@H]([NH3+])C[C@@H]2O)c(C(F)(F)F)n1 ZINC000923374335 616090432 /nfs/dbraw/zinc/09/04/32/616090432.db2.gz VUGMSUINDMCISK-GUBZILKMSA-N 2 2 292.305 0.721 20 0 CCADLP C[N@H+](CCO)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000972305110 616110744 /nfs/dbraw/zinc/11/07/44/616110744.db2.gz TXLVVJOLIGSMFA-VXGBXAGGSA-N 2 2 292.383 0.355 20 0 CCADLP C[N@@H+](CCO)[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000972305110 616110747 /nfs/dbraw/zinc/11/07/47/616110747.db2.gz TXLVVJOLIGSMFA-VXGBXAGGSA-N 2 2 292.383 0.355 20 0 CCADLP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000866115139 616122160 /nfs/dbraw/zinc/12/21/60/616122160.db2.gz PARZVDAYYGFEIW-WCQYABFASA-N 2 2 280.372 0.776 20 0 CCADLP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000866115139 616122161 /nfs/dbraw/zinc/12/21/61/616122161.db2.gz PARZVDAYYGFEIW-WCQYABFASA-N 2 2 280.372 0.776 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]CCOc1cccnc1)C1CC1 ZINC000819070296 616131493 /nfs/dbraw/zinc/13/14/93/616131493.db2.gz YRWGFPCSIHDYHT-ZDUSSCGKSA-N 2 2 265.357 0.505 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]CCOc1cccnc1)C1CC1 ZINC000819070296 616131494 /nfs/dbraw/zinc/13/14/94/616131494.db2.gz YRWGFPCSIHDYHT-ZDUSSCGKSA-N 2 2 265.357 0.505 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]CC[S@](=O)C(C)(C)C)C1CC1 ZINC000819055972 616149435 /nfs/dbraw/zinc/14/94/35/616149435.db2.gz IMURDFVWQGRVCP-XIKOKIGWSA-N 2 2 276.446 0.578 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]CC[S@](=O)C(C)(C)C)C1CC1 ZINC000819055972 616149436 /nfs/dbraw/zinc/14/94/36/616149436.db2.gz IMURDFVWQGRVCP-XIKOKIGWSA-N 2 2 276.446 0.578 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)NCc1c[nH+]cn1C ZINC000852343986 616163116 /nfs/dbraw/zinc/16/31/16/616163116.db2.gz JULKIJVBXJWZQU-UHFFFAOYSA-N 2 2 251.334 0.123 20 0 CCADLP CN(CC1C[NH+](C)C1)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000853552749 616163888 /nfs/dbraw/zinc/16/38/88/616163888.db2.gz DVLARRLNTDJINY-ZDUSSCGKSA-N 2 2 291.399 0.187 20 0 CCADLP CN(CC1C[NH+](C)C1)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000853552748 616164001 /nfs/dbraw/zinc/16/40/01/616164001.db2.gz DVLARRLNTDJINY-CYBMUJFWSA-N 2 2 291.399 0.187 20 0 CCADLP CN1CC[C@H]1C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000905550973 616169985 /nfs/dbraw/zinc/16/99/85/616169985.db2.gz HTDGSPYGFYZNCU-JKSUJKDBSA-N 2 2 277.412 0.773 20 0 CCADLP CN1CC[C@H]1C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000905550973 616169986 /nfs/dbraw/zinc/16/99/86/616169986.db2.gz HTDGSPYGFYZNCU-JKSUJKDBSA-N 2 2 277.412 0.773 20 0 CCADLP C[NH+]1CCC([NH2+]C[C@@H]2CCN2C2CCOCC2)CC1 ZINC000922951357 616174485 /nfs/dbraw/zinc/17/44/85/616174485.db2.gz NKEXXFOQUHQJPJ-HNNXBMFYSA-N 2 2 267.417 0.924 20 0 CCADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N2CCC[NH+](C)CC2)n[nH]1 ZINC000899936080 616185718 /nfs/dbraw/zinc/18/57/18/616185718.db2.gz PLAUFWHCFGYFOG-AWEZNQCLSA-N 2 2 291.399 0.954 20 0 CCADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)N2CCC[NH+](C)CC2)n[nH]1 ZINC000899936080 616185719 /nfs/dbraw/zinc/18/57/19/616185719.db2.gz PLAUFWHCFGYFOG-AWEZNQCLSA-N 2 2 291.399 0.954 20 0 CCADLP C[NH+]1CCC[C@H]1c1cc(C(=O)N2CCC[N@H+](C)CC2)n[nH]1 ZINC000899936080 616185720 /nfs/dbraw/zinc/18/57/20/616185720.db2.gz PLAUFWHCFGYFOG-AWEZNQCLSA-N 2 2 291.399 0.954 20 0 CCADLP C[NH+]1CCC[C@H]1c1cc(C(=O)N2CCC[N@@H+](C)CC2)n[nH]1 ZINC000899936080 616185721 /nfs/dbraw/zinc/18/57/21/616185721.db2.gz PLAUFWHCFGYFOG-AWEZNQCLSA-N 2 2 291.399 0.954 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000874833775 616198325 /nfs/dbraw/zinc/19/83/25/616198325.db2.gz NIXBAMZNZJSXOT-QWHCGFSZSA-N 2 2 262.357 0.658 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000874833775 616198326 /nfs/dbraw/zinc/19/83/26/616198326.db2.gz NIXBAMZNZJSXOT-QWHCGFSZSA-N 2 2 262.357 0.658 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H](O)COC1CCOCC1 ZINC000880135520 616199384 /nfs/dbraw/zinc/19/93/84/616199384.db2.gz WRFFOUSGNHTPPO-CWRNSKLLSA-N 2 2 298.427 0.711 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H](O)COC1CCOCC1 ZINC000880135520 616199385 /nfs/dbraw/zinc/19/93/85/616199385.db2.gz WRFFOUSGNHTPPO-CWRNSKLLSA-N 2 2 298.427 0.711 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H](O)COC1CCOCC1 ZINC000880135520 616199386 /nfs/dbraw/zinc/19/93/86/616199386.db2.gz WRFFOUSGNHTPPO-CWRNSKLLSA-N 2 2 298.427 0.711 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@H](O)COC1CCOCC1 ZINC000880135520 616199387 /nfs/dbraw/zinc/19/93/87/616199387.db2.gz WRFFOUSGNHTPPO-CWRNSKLLSA-N 2 2 298.427 0.711 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000872780568 616200907 /nfs/dbraw/zinc/20/09/07/616200907.db2.gz LZBKRLUBMWVQIO-VXGBXAGGSA-N 2 2 299.382 0.917 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@H]1CCN2c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000872780568 616200908 /nfs/dbraw/zinc/20/09/08/616200908.db2.gz LZBKRLUBMWVQIO-VXGBXAGGSA-N 2 2 299.382 0.917 20 0 CCADLP C[N@@H+]1CCC[C@H]1CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865809127 616213759 /nfs/dbraw/zinc/21/37/59/616213759.db2.gz KJMOPGRZUDAYGF-LQPUYASZSA-N 2 2 267.373 0.085 20 0 CCADLP C[N@H+]1CCC[C@H]1CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865809127 616213760 /nfs/dbraw/zinc/21/37/60/616213760.db2.gz KJMOPGRZUDAYGF-LQPUYASZSA-N 2 2 267.373 0.085 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCC[C@@H]2CCCO)CC1 ZINC000924841526 616223702 /nfs/dbraw/zinc/22/37/02/616223702.db2.gz JWQAJKRCLYWUJC-CABCVRRESA-N 2 2 297.443 0.681 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C[C@@H]1CO ZINC000913547626 616228379 /nfs/dbraw/zinc/22/83/79/616228379.db2.gz SKHHRWYBGLVPDO-HUUCEWRRSA-N 2 2 295.427 0.528 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C[C@@H]1CO ZINC000913547626 616228380 /nfs/dbraw/zinc/22/83/80/616228380.db2.gz SKHHRWYBGLVPDO-HUUCEWRRSA-N 2 2 295.427 0.528 20 0 CCADLP C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@@H]1CO ZINC000913547626 616228381 /nfs/dbraw/zinc/22/83/81/616228381.db2.gz SKHHRWYBGLVPDO-HUUCEWRRSA-N 2 2 295.427 0.528 20 0 CCADLP C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@@H]1CO ZINC000913547626 616228382 /nfs/dbraw/zinc/22/83/82/616228382.db2.gz SKHHRWYBGLVPDO-HUUCEWRRSA-N 2 2 295.427 0.528 20 0 CCADLP COC(=O)/C(C)=C\C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000905531883 616304304 /nfs/dbraw/zinc/30/43/04/616304304.db2.gz NWJSFZCCMYTTCJ-DKRCXCIFSA-N 2 2 256.346 0.152 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC[C@H]21 ZINC000827255990 616327436 /nfs/dbraw/zinc/32/74/36/616327436.db2.gz VGOJDCXHNHGCPK-VNHYZAJKSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC[C@H]21 ZINC000827255990 616327440 /nfs/dbraw/zinc/32/74/40/616327440.db2.gz VGOJDCXHNHGCPK-VNHYZAJKSA-N 2 2 288.395 0.998 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)C[C@H]1CCC(=O)N1 ZINC000813324837 616347730 /nfs/dbraw/zinc/34/77/30/616347730.db2.gz BFUCALUVEBZNBU-MGPQQGTHSA-N 2 2 283.416 0.744 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)C[C@H]1CCC(=O)N1 ZINC000813324837 616347736 /nfs/dbraw/zinc/34/77/36/616347736.db2.gz BFUCALUVEBZNBU-MGPQQGTHSA-N 2 2 283.416 0.744 20 0 CCADLP COCC[N@@H+]1CCC[C@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000948887124 616349260 /nfs/dbraw/zinc/34/92/60/616349260.db2.gz WFFPUEDZNULVDC-ZDUSSCGKSA-N 2 2 294.399 0.912 20 0 CCADLP COCC[N@H+]1CCC[C@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000948887124 616349262 /nfs/dbraw/zinc/34/92/62/616349262.db2.gz WFFPUEDZNULVDC-ZDUSSCGKSA-N 2 2 294.399 0.912 20 0 CCADLP C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000913532715 616364914 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C[NH+]1C[C@@]2(C)CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC000913277540 616393666 /nfs/dbraw/zinc/39/36/66/616393666.db2.gz WDDYVBBPLTXXSJ-KBPBESRZSA-N 2 2 262.357 0.752 20 0 CCADLP C[NH+]1C[C@@]2(C)C[NH+](CCN3CCOCC3)C[C@]2(C)C1 ZINC000931312723 616395346 /nfs/dbraw/zinc/39/53/46/616395346.db2.gz YTXNIHCBEMTOJW-GJZGRUSLSA-N 2 2 267.417 0.592 20 0 CCADLP C[N@@H+]1C[C@]2(C)C[NH+](C[C@H]3CCC(=O)O3)C[C@]2(C)C1 ZINC000931314211 616397435 /nfs/dbraw/zinc/39/74/35/616397435.db2.gz KKBDQWOMQGZBCF-BNOWGMLFSA-N 2 2 252.358 0.966 20 0 CCADLP C[N@H+]1C[C@]2(C)C[NH+](C[C@H]3CCC(=O)O3)C[C@]2(C)C1 ZINC000931314211 616397441 /nfs/dbraw/zinc/39/74/41/616397441.db2.gz KKBDQWOMQGZBCF-BNOWGMLFSA-N 2 2 252.358 0.966 20 0 CCADLP C[NH+]1C[C@]2(C)C[N@H+](C[C@H]3CCC(=O)O3)C[C@]2(C)C1 ZINC000931314211 616397445 /nfs/dbraw/zinc/39/74/45/616397445.db2.gz KKBDQWOMQGZBCF-BNOWGMLFSA-N 2 2 252.358 0.966 20 0 CCADLP C[NH+]1C[C@]2(C)C[N@@H+](C[C@H]3CCC(=O)O3)C[C@]2(C)C1 ZINC000931314211 616397449 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C[N@H+]1CC[C@H]2C[NH+](CCc3nnn(C(C)(C)C)n3)CC[C@@H]21 ZINC000879578847 616444497 /nfs/dbraw/zinc/44/44/97/616444497.db2.gz HMXOGGJPQCMLPI-STQMWFEESA-N 2 2 292.431 0.997 20 0 CCADLP C[NH+]1CC[C@H]2C[N@H+](CCc3nnn(C(C)(C)C)n3)CC[C@@H]21 ZINC000879578847 616444499 /nfs/dbraw/zinc/44/44/99/616444499.db2.gz HMXOGGJPQCMLPI-STQMWFEESA-N 2 2 292.431 0.997 20 0 CCADLP C[NH+]1CC[C@H]2C[N@@H+](CCc3nnn(C(C)(C)C)n3)CC[C@@H]21 ZINC000879578847 616444500 /nfs/dbraw/zinc/44/45/00/616444500.db2.gz HMXOGGJPQCMLPI-STQMWFEESA-N 2 2 292.431 0.997 20 0 CCADLP COCCNC(=[NH2+])NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848983424 616482901 /nfs/dbraw/zinc/48/29/01/616482901.db2.gz DSQWIAIDACJYJT-TXEJJXNPSA-N 2 2 286.420 0.635 20 0 CCADLP COCCNC(=[NH2+])NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848983424 616482905 /nfs/dbraw/zinc/48/29/05/616482905.db2.gz DSQWIAIDACJYJT-TXEJJXNPSA-N 2 2 286.420 0.635 20 0 CCADLP COC(=O)[C@@H]1[C@H](C[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1(F)F ZINC000897621856 616510937 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20 0 CCADLP COC(=O)[C@H]1[C@H](C[NH2+]CCCn2cc[nH+]c2)C1(F)F ZINC000894146122 616738706 /nfs/dbraw/zinc/73/87/06/616738706.db2.gz SCXOCNAHBAJKSE-VHSXEESVSA-N 2 2 273.283 0.917 20 0 CCADLP COC(=O)N(C)CC[N@H+](C)CCCn1cc[nH+]c1 ZINC000852569328 616765503 /nfs/dbraw/zinc/76/55/03/616765503.db2.gz NFUBEGNCBWYADJ-UHFFFAOYSA-N 2 2 254.334 0.903 20 0 CCADLP COC(=O)N(C)CC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000852569328 616765504 /nfs/dbraw/zinc/76/55/04/616765504.db2.gz NFUBEGNCBWYADJ-UHFFFAOYSA-N 2 2 254.334 0.903 20 0 CCADLP COC[C@@H](C)[N@@H+]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000981716772 616798303 /nfs/dbraw/zinc/79/83/03/616798303.db2.gz OIEQVRFDBVUUKX-CQSZACIVSA-N 2 2 294.399 0.842 20 0 CCADLP COC[C@@H](C)[N@H+]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000981716772 616798310 /nfs/dbraw/zinc/79/83/10/616798310.db2.gz OIEQVRFDBVUUKX-CQSZACIVSA-N 2 2 294.399 0.842 20 0 CCADLP COC(=O)[C@]12C[C@H]1CCC[N@@H+]2C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903788508 616806290 /nfs/dbraw/zinc/80/62/90/616806290.db2.gz 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616890101 /nfs/dbraw/zinc/89/01/01/616890101.db2.gz UNWYVAYXOOIZGE-OAHLLOKOSA-N 2 2 283.416 0.605 20 0 CCADLP COCCCNC(=O)C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872512 616890105 /nfs/dbraw/zinc/89/01/05/616890105.db2.gz UNWYVAYXOOIZGE-OAHLLOKOSA-N 2 2 283.416 0.605 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000923358532 616967576 /nfs/dbraw/zinc/96/75/76/616967576.db2.gz IFUUYKPQDORYIP-AWEZNQCLSA-N 3 2 285.432 0.001 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000923358532 616967578 /nfs/dbraw/zinc/96/75/78/616967578.db2.gz IFUUYKPQDORYIP-AWEZNQCLSA-N 3 2 285.432 0.001 20 0 CCADLP COCCN(C)c1ccc(C[NH2+]CC2([NH3+])CC2)cn1 ZINC000904442509 616972734 /nfs/dbraw/zinc/97/27/34/616972734.db2.gz DKBKOMYYFDGUJX-UHFFFAOYSA-N 2 2 264.373 0.745 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000851680106 616975798 /nfs/dbraw/zinc/97/57/98/616975798.db2.gz GIBAMVZKIGHQQS-VXGBXAGGSA-N 2 2 279.388 0.917 20 0 CCADLP CON(C)C(=O)CC[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000819243939 617017798 /nfs/dbraw/zinc/01/77/98/617017798.db2.gz DYGOAAQATHSLSZ-SNVBAGLBSA-N 2 2 252.318 0.197 20 0 CCADLP CNc1cc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)nc[nH+]1 ZINC000894624809 617056717 /nfs/dbraw/zinc/05/67/17/617056717.db2.gz NVUIIHGBILKILJ-LBPRGKRZSA-N 2 2 277.372 0.554 20 0 CCADLP CNc1cc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)nc[nH+]1 ZINC000894624809 617056721 /nfs/dbraw/zinc/05/67/21/617056721.db2.gz NVUIIHGBILKILJ-LBPRGKRZSA-N 2 2 277.372 0.554 20 0 CCADLP COC[C@H](C)[NH+]1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000948742953 617063760 /nfs/dbraw/zinc/06/37/60/617063760.db2.gz YFLBQNZPPIUDHX-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP CON1CC[C@H]([N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000930557308 617099427 /nfs/dbraw/zinc/09/94/27/617099427.db2.gz DNXCFVXBNRVRCN-AAEUAGOBSA-N 2 2 253.346 0.176 20 0 CCADLP CON1CC[C@H]([N@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000930557308 617099429 /nfs/dbraw/zinc/09/94/29/617099429.db2.gz DNXCFVXBNRVRCN-AAEUAGOBSA-N 2 2 253.346 0.176 20 0 CCADLP CON1CC[C@H]([NH+]2CC[C@]3(CC[N@H+](C)C3)C2)C1=O ZINC000930557308 617099431 /nfs/dbraw/zinc/09/94/31/617099431.db2.gz DNXCFVXBNRVRCN-AAEUAGOBSA-N 2 2 253.346 0.176 20 0 CCADLP CON1CC[C@H]([NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000930557308 617099433 /nfs/dbraw/zinc/09/94/33/617099433.db2.gz DNXCFVXBNRVRCN-AAEUAGOBSA-N 2 2 253.346 0.176 20 0 CCADLP COc1c(N)[nH+]cnc1NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000896526488 617148026 /nfs/dbraw/zinc/14/80/26/617148026.db2.gz YGDDCWKCRIZGFR-LLVKDONJSA-N 2 2 293.371 0.733 20 0 CCADLP COc1c(N)[nH+]cnc1NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000896526488 617148028 /nfs/dbraw/zinc/14/80/28/617148028.db2.gz YGDDCWKCRIZGFR-LLVKDONJSA-N 2 2 293.371 0.733 20 0 CCADLP [NH3+][C@H]1C[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)C12CCC2 ZINC000925504644 625322252 /nfs/dbraw/zinc/32/22/52/625322252.db2.gz QWHYJKDJNLAZOL-KBPBESRZSA-N 3 2 267.417 0.693 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CC[C@@H]([NH2+]CCF)[C@@H]2C1 ZINC001026432468 625447974 /nfs/dbraw/zinc/44/79/74/625447974.db2.gz SUTHBVKDVQLBLO-YNEHKIRRSA-N 2 2 280.347 0.679 20 0 CCADLP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C12CCC2 ZINC000925614283 625449148 /nfs/dbraw/zinc/44/91/48/625449148.db2.gz WEBDSWHJGRFVLC-XQQFMLRXSA-N 3 2 253.390 0.303 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000925673284 625493973 /nfs/dbraw/zinc/49/39/73/625493973.db2.gz MFTHTUWTJTWVKD-QJPTWQEYSA-N 2 2 260.403 0.541 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000892188479 622657382 /nfs/dbraw/zinc/65/73/82/622657382.db2.gz RJFDCTBSDLDQHN-IJLUTSLNSA-N 2 2 277.372 0.607 20 0 CCADLP O[C@@H]1CC[N@H+](CCCC[NH+]2CC[C@H](O)[C@H](F)C2)C[C@H]1F ZINC000934570499 622759028 /nfs/dbraw/zinc/75/90/28/622759028.db2.gz LDJSMYIQEDRKRA-SYQHCUMBSA-N 2 2 292.370 0.576 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCO)C1 ZINC000972375642 622785121 /nfs/dbraw/zinc/78/51/21/622785121.db2.gz JYOMSRNQFOQQFN-YNEHKIRRSA-N 2 2 292.383 0.049 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCO)C1 ZINC000972375642 622785132 /nfs/dbraw/zinc/78/51/32/622785132.db2.gz JYOMSRNQFOQQFN-YNEHKIRRSA-N 2 2 292.383 0.049 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC001022889107 622834430 /nfs/dbraw/zinc/83/44/30/622834430.db2.gz YTBLJDFGNJNODY-XQQFMLRXSA-N 2 2 292.383 0.758 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]CC2CCC2)C1 ZINC001023161359 622930840 /nfs/dbraw/zinc/93/08/40/622930840.db2.gz XAMZSZAODQXBLF-BETUJISGSA-N 2 2 262.357 0.920 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]Cc2ccon2)C1 ZINC001023158631 622931233 /nfs/dbraw/zinc/93/12/33/622931233.db2.gz AJJWZXUCRKNDGE-TXEJJXNPSA-N 2 2 275.312 0.308 20 0 CCADLP C[C@H]1CC[C@@H](C[NH2+][C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3)C2)O1 ZINC001023160918 622935603 /nfs/dbraw/zinc/93/56/03/622935603.db2.gz HLHWGZCKFPVGLK-FQUUOJAGSA-N 2 2 292.383 0.687 20 0 CCADLP Cc1cc(N)nc(N2CC[NH+](C(C)(C)CO)CC2)[nH+]1 ZINC000892543361 623510135 /nfs/dbraw/zinc/51/01/35/623510135.db2.gz YCCBDFCVCMWDEB-UHFFFAOYSA-N 2 2 265.361 0.260 20 0 CCADLP CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001026928295 625663026 /nfs/dbraw/zinc/66/30/26/625663026.db2.gz GTWXNJBWYKEXBO-STQMWFEESA-N 2 2 276.384 0.904 20 0 CCADLP NC(=O)C1CC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000926811687 623699457 /nfs/dbraw/zinc/69/94/57/623699457.db2.gz ZAHGPEDYCJFBCE-IFWUJCSASA-N 2 2 251.374 0.857 20 0 CCADLP NC(=O)C1CC([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000926811687 623699464 /nfs/dbraw/zinc/69/94/64/623699464.db2.gz ZAHGPEDYCJFBCE-IFWUJCSASA-N 2 2 251.374 0.857 20 0 CCADLP CS[C@H]1CN(c2nc(N)cc(C)[nH+]2)C[C@H]1[NH+](C)C ZINC000893001901 623959305 /nfs/dbraw/zinc/95/93/05/623959305.db2.gz PNUSXCFGEHUVED-ZJUUUORDSA-N 2 2 267.402 0.849 20 0 CCADLP C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1C[NH+](CCCF)C1 ZINC000969441755 624503617 /nfs/dbraw/zinc/50/36/17/624503617.db2.gz 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O=C(Cn1cc[nH+]c1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCO ZINC001021473667 624742041 /nfs/dbraw/zinc/74/20/41/624742041.db2.gz XLNSIEZMXVTMAD-AGUYFDCRSA-N 2 2 292.383 0.377 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCO ZINC001021473667 624742045 /nfs/dbraw/zinc/74/20/45/624742045.db2.gz XLNSIEZMXVTMAD-AGUYFDCRSA-N 2 2 292.383 0.377 20 0 CCADLP Cc1ccncc1C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000970857598 624771939 /nfs/dbraw/zinc/77/19/39/624771939.db2.gz CYIQISVZIHRDKY-OAHLLOKOSA-N 2 2 299.378 0.977 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]2C[N@H+](CCO)CC[C@H]21 ZINC001021753738 624820328 /nfs/dbraw/zinc/82/03/28/624820328.db2.gz IFSXFWUEGAWDRB-ZIAGYGMSSA-N 2 2 292.383 0.188 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]2C[N@@H+](CCO)CC[C@H]21 ZINC001021753738 624820329 /nfs/dbraw/zinc/82/03/29/624820329.db2.gz IFSXFWUEGAWDRB-ZIAGYGMSSA-N 2 2 292.383 0.188 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891350855 624822361 /nfs/dbraw/zinc/82/23/61/624822361.db2.gz WDPBQTQIZLPCDM-RDBSUJKOSA-N 2 2 296.415 0.243 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N1C[C@H]([NH3+])C[C@H]1C)[NH+]1CCOCC1 ZINC000891517968 624881348 /nfs/dbraw/zinc/88/13/48/624881348.db2.gz OGXDYYWBCCSETR-YVECIDJPSA-N 2 2 284.404 0.227 20 0 CCADLP C[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000971652331 624884465 /nfs/dbraw/zinc/88/44/65/624884465.db2.gz OTQCMRSWOQRZAL-WCQYABFASA-N 2 2 280.372 0.256 20 0 CCADLP C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000971652331 624884468 /nfs/dbraw/zinc/88/44/68/624884468.db2.gz OTQCMRSWOQRZAL-WCQYABFASA-N 2 2 280.372 0.256 20 0 CCADLP C[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000971652331 624884469 /nfs/dbraw/zinc/88/44/69/624884469.db2.gz OTQCMRSWOQRZAL-WCQYABFASA-N 2 2 280.372 0.256 20 0 CCADLP C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000971652331 624884471 /nfs/dbraw/zinc/88/44/71/624884471.db2.gz OTQCMRSWOQRZAL-WCQYABFASA-N 2 2 280.372 0.256 20 0 CCADLP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001022302067 624917554 /nfs/dbraw/zinc/91/75/54/624917554.db2.gz DCVGRHPBSWWQCJ-SDDRHHMPSA-N 2 2 262.357 0.702 20 0 CCADLP CCO[C@H]1CCC[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1 ZINC000902776996 634458673 /nfs/dbraw/zinc/45/86/73/634458673.db2.gz QJOSFQFAJPSLGN-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CCO[C@@]13CCOC3)C2 ZINC000903173250 634539096 /nfs/dbraw/zinc/53/90/96/634539096.db2.gz XSWUIXSCCHWLCT-LERXQTSPSA-N 2 2 263.341 0.805 20 0 CCADLP O=C(C[NH+]1CCN(C[C@H]2CCC[NH2+]2)CC1)N1CCCCC1 ZINC000903441541 634563972 /nfs/dbraw/zinc/56/39/72/634563972.db2.gz XBKRJQOJRFCHIA-OAHLLOKOSA-N 2 2 294.443 0.369 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CCOC2CC2)C1 ZINC000903448452 634570105 /nfs/dbraw/zinc/57/01/05/634570105.db2.gz FSOPKGUSSREGIU-GFCCVEGCSA-N 2 2 267.373 0.062 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CCOC2CC2)C1 ZINC000903448452 634570111 /nfs/dbraw/zinc/57/01/11/634570111.db2.gz FSOPKGUSSREGIU-GFCCVEGCSA-N 2 2 267.373 0.062 20 0 CCADLP C[C@H]1CN(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)CCO1 ZINC000903483012 634577320 /nfs/dbraw/zinc/57/73/20/634577320.db2.gz AZVLKAAWNWQSNM-UONOGXRCSA-N 2 2 267.417 0.971 20 0 CCADLP C[C@H]1CN(CC[NH2+][C@H]2CC[NH2+]C23CCC3)CCO1 ZINC000903472696 634573662 /nfs/dbraw/zinc/57/36/62/634573662.db2.gz UYLBTXPOIVXUPW-STQMWFEESA-N 2 2 253.390 0.581 20 0 CCADLP C[C@H](CS(C)(=O)=O)[N@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903730290 634632035 /nfs/dbraw/zinc/63/20/35/634632035.db2.gz VGLUNACOFYOVJC-AGIUHOORSA-N 2 2 290.429 0.120 20 0 CCADLP C[C@H](CS(C)(=O)=O)[N@@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903730290 634632039 /nfs/dbraw/zinc/63/20/39/634632039.db2.gz VGLUNACOFYOVJC-AGIUHOORSA-N 2 2 290.429 0.120 20 0 CCADLP O[C@H](Cn1cccn1)C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903865208 634669910 /nfs/dbraw/zinc/66/99/10/634669910.db2.gz BFZGFLCEUCBCID-QWHCGFSZSA-N 2 2 250.346 0.072 20 0 CCADLP O[C@H](Cn1cccn1)C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903865208 634669911 /nfs/dbraw/zinc/66/99/11/634669911.db2.gz BFZGFLCEUCBCID-QWHCGFSZSA-N 2 2 250.346 0.072 20 0 CCADLP CC[C@@H]1C[N@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)CCO1 ZINC000903879330 634675507 /nfs/dbraw/zinc/67/55/07/634675507.db2.gz YNPSABRRDQFBEY-DZGCQCFKSA-N 2 2 280.416 0.957 20 0 CCADLP CC[C@@H]1C[N@@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)CCO1 ZINC000903879330 634675509 /nfs/dbraw/zinc/67/55/09/634675509.db2.gz YNPSABRRDQFBEY-DZGCQCFKSA-N 2 2 280.416 0.957 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCOCC2(C)C)cnn1C ZINC000903887154 634677259 /nfs/dbraw/zinc/67/72/59/634677259.db2.gz XVIDCOWBXXLMQW-CYBMUJFWSA-N 2 2 280.416 0.957 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCOCC2(C)C)cnn1C ZINC000903887154 634677261 /nfs/dbraw/zinc/67/72/61/634677261.db2.gz XVIDCOWBXXLMQW-CYBMUJFWSA-N 2 2 280.416 0.957 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cnn1C ZINC000903929257 634689687 /nfs/dbraw/zinc/68/96/87/634689687.db2.gz CUQHLQLUCUVBBZ-BJJXKVORSA-N 3 2 293.459 0.763 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cnn1C ZINC000903929257 634689693 /nfs/dbraw/zinc/68/96/93/634689693.db2.gz CUQHLQLUCUVBBZ-BJJXKVORSA-N 3 2 293.459 0.763 20 0 CCADLP C[C@]1(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)CCC[NH2+]C1 ZINC000904335554 634729298 /nfs/dbraw/zinc/72/92/98/634729298.db2.gz FZGCCHHTPWDRKM-JSGCOSHPSA-N 2 2 251.374 0.683 20 0 CCADLP C[C@]1(C[N@H+]2CCN3C(=O)CC[C@H]3C2)CCC[NH2+]C1 ZINC000904335554 634729303 /nfs/dbraw/zinc/72/93/03/634729303.db2.gz FZGCCHHTPWDRKM-JSGCOSHPSA-N 2 2 251.374 0.683 20 0 CCADLP c1cc(N2CC[NH2+]CC2)oc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000904350233 634732326 /nfs/dbraw/zinc/73/23/26/634732326.db2.gz IUYMHJZDESLCAV-UKRRQHHQSA-N 3 2 290.411 0.873 20 0 CCADLP c1cc(N2CC[NH2+]CC2)oc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000904350233 634732332 /nfs/dbraw/zinc/73/23/32/634732332.db2.gz IUYMHJZDESLCAV-UKRRQHHQSA-N 3 2 290.411 0.873 20 0 CCADLP c1cn(-c2csc(C[NH2+][C@@H]3CNOC3)c2)c[nH+]1 ZINC000904424865 634745852 /nfs/dbraw/zinc/74/58/52/634745852.db2.gz NVEVQOXPWPYLSI-SECBINFHSA-N 2 2 250.327 0.927 20 0 CCADLP O[C@@H](C[NH2+]CCn1cc[nH+]c1)C[C@H](O)c1ccccc1 ZINC000905037696 634780896 /nfs/dbraw/zinc/78/08/96/634780896.db2.gz ZJJVSOQBAMWYJE-CABCVRRESA-N 2 2 275.352 0.957 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905044144 634784021 /nfs/dbraw/zinc/78/40/21/634784021.db2.gz ACUOQMIEZXIEND-NEPJUHHUSA-N 2 2 253.346 0.527 20 0 CCADLP O[C@H](CCC1(O)CCC1)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000905262262 634830232 /nfs/dbraw/zinc/83/02/32/634830232.db2.gz GJGQPTCNUXIEMS-NWDGAFQWSA-N 2 2 279.384 0.913 20 0 CCADLP C[C@H](CC(=O)N1CCC[C@@H]([N@H+](C)CCO)C1)n1cc[nH+]c1 ZINC001027597486 630794621 /nfs/dbraw/zinc/79/46/21/630794621.db2.gz HKNMMOJETLVYOW-ZIAGYGMSSA-N 2 2 294.399 0.749 20 0 CCADLP C[C@H](CC(=O)N1CCC[C@@H]([N@@H+](C)CCO)C1)n1cc[nH+]c1 ZINC001027597486 630794627 /nfs/dbraw/zinc/79/46/27/630794627.db2.gz HKNMMOJETLVYOW-ZIAGYGMSSA-N 2 2 294.399 0.749 20 0 CCADLP CC[N@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001027650264 630833797 /nfs/dbraw/zinc/83/37/97/630833797.db2.gz DPOBGUBYNMROEX-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP CC[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001027650264 630833802 /nfs/dbraw/zinc/83/38/02/630833802.db2.gz DPOBGUBYNMROEX-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C[NH3+])CCO1 ZINC000093874068 630889975 /nfs/dbraw/zinc/88/99/75/630889975.db2.gz WOBOZRDANWKQRO-NSHDSACASA-N 2 2 257.378 0.150 20 0 CCADLP C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C[NH3+])CCO1 ZINC000093874068 630889978 /nfs/dbraw/zinc/88/99/78/630889978.db2.gz WOBOZRDANWKQRO-NSHDSACASA-N 2 2 257.378 0.150 20 0 CCADLP O=C1NCCN1CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925776103 631038423 /nfs/dbraw/zinc/03/84/23/631038423.db2.gz CZVUEAFKVINEKW-NSHDSACASA-N 2 2 252.362 0.276 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CCC[N@@H+](CCCO)CC1 ZINC000981070718 631229242 /nfs/dbraw/zinc/22/92/42/631229242.db2.gz YJJRAPUIUXFSEI-UHFFFAOYSA-N 2 2 280.372 0.259 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CCC[N@H+](CCCO)CC1 ZINC000981070718 631229247 /nfs/dbraw/zinc/22/92/47/631229247.db2.gz YJJRAPUIUXFSEI-UHFFFAOYSA-N 2 2 280.372 0.259 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[C@@H]([NH2+]CCF)C1 ZINC000981550498 631288389 /nfs/dbraw/zinc/28/83/89/631288389.db2.gz NLQAQAHQEIQCTH-NEPJUHHUSA-N 2 2 268.336 0.870 20 0 CCADLP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261589293 631385294 /nfs/dbraw/zinc/38/52/94/631385294.db2.gz WGHSHRHQWOEYRM-SMDDNHRTSA-N 2 2 253.390 0.975 20 0 CCADLP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261589293 631385301 /nfs/dbraw/zinc/38/53/01/631385301.db2.gz WGHSHRHQWOEYRM-SMDDNHRTSA-N 2 2 253.390 0.975 20 0 CCADLP C[C@@H]1C[N@H+](CCO)CCN1c1nccn2c[nH+]cc12 ZINC000894134609 631550199 /nfs/dbraw/zinc/55/01/99/631550199.db2.gz NYNJWVZBGZVVHB-LLVKDONJSA-N 2 2 261.329 0.232 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)CCN1c1nccn2c[nH+]cc12 ZINC000894134609 631550210 /nfs/dbraw/zinc/55/02/10/631550210.db2.gz NYNJWVZBGZVVHB-LLVKDONJSA-N 2 2 261.329 0.232 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cn(C)cn1 ZINC000924965334 631681456 /nfs/dbraw/zinc/68/14/56/631681456.db2.gz NJBVSRAWFWKKNV-OLZOCXBDSA-N 2 2 293.415 0.658 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cn(C)cn1 ZINC000924965334 631681460 /nfs/dbraw/zinc/68/14/60/631681460.db2.gz NJBVSRAWFWKKNV-OLZOCXBDSA-N 2 2 293.415 0.658 20 0 CCADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ncco1 ZINC000924990707 631699470 /nfs/dbraw/zinc/69/94/70/631699470.db2.gz HKEDAFAAAAYWQG-RYUDHWBXSA-N 2 2 252.362 0.961 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCF)CC[C@H]1C ZINC000968654921 650025142 /nfs/dbraw/zinc/02/51/42/650025142.db2.gz IDTLKHCTYAKYML-DGCLKSJQSA-N 2 2 282.363 0.988 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCF)CC[C@H]1C ZINC000968654921 650025143 /nfs/dbraw/zinc/02/51/43/650025143.db2.gz IDTLKHCTYAKYML-DGCLKSJQSA-N 2 2 282.363 0.988 20 0 CCADLP C[C@@H]1CC[N@H+](CCNC(=O)NCc2c[nH+]cn2C)C1 ZINC000894912561 631881759 /nfs/dbraw/zinc/88/17/59/631881759.db2.gz GKJYRUKCRMGIML-LLVKDONJSA-N 2 2 265.361 0.561 20 0 CCADLP C[C@@H]1CC[N@@H+](CCNC(=O)NCc2c[nH+]cn2C)C1 ZINC000894912561 631881762 /nfs/dbraw/zinc/88/17/62/631881762.db2.gz GKJYRUKCRMGIML-LLVKDONJSA-N 2 2 265.361 0.561 20 0 CCADLP C[C@@H](CC[NH2+]Cc1cccc(S(N)(=O)=O)c1)[NH+](C)C ZINC000895289946 632046932 /nfs/dbraw/zinc/04/69/32/632046932.db2.gz AOEZIPPUXHGPGC-NSHDSACASA-N 2 2 285.413 0.764 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000895704600 632134381 /nfs/dbraw/zinc/13/43/81/632134381.db2.gz PIHSDZRQGBRBCW-GFCCVEGCSA-N 2 2 292.383 0.499 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895703201 632134479 /nfs/dbraw/zinc/13/44/79/632134479.db2.gz AGUXQOMGOGGGHG-DGCLKSJQSA-N 2 2 278.356 0.109 20 0 CCADLP C[C@H](O)CNc1cc(N[C@@H]2CC[N@H+](C)[C@@H]2C)nc[nH+]1 ZINC000895740965 632141164 /nfs/dbraw/zinc/14/11/64/632141164.db2.gz VHHNGVCBVKLNNX-HBNTYKKESA-N 2 2 265.361 0.774 20 0 CCADLP C[C@H](O)CNc1cc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)nc[nH+]1 ZINC000895740965 632141170 /nfs/dbraw/zinc/14/11/70/632141170.db2.gz VHHNGVCBVKLNNX-HBNTYKKESA-N 2 2 265.361 0.774 20 0 CCADLP C[C@H](O)CNc1cc(N[C@@H]2CC[N@H+](C)[C@H]2C)nc[nH+]1 ZINC000895740964 632142223 /nfs/dbraw/zinc/14/22/23/632142223.db2.gz VHHNGVCBVKLNNX-GARJFASQSA-N 2 2 265.361 0.774 20 0 CCADLP C[C@H](O)CNc1cc(N[C@@H]2CC[N@@H+](C)[C@H]2C)nc[nH+]1 ZINC000895740964 632142230 /nfs/dbraw/zinc/14/22/30/632142230.db2.gz VHHNGVCBVKLNNX-GARJFASQSA-N 2 2 265.361 0.774 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC[NH+](CCCF)C2)C1 ZINC001007000036 632327956 /nfs/dbraw/zinc/32/79/56/632327956.db2.gz IIVBMXKTXYZKFH-CHWSQXEVSA-N 2 2 287.379 0.257 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[N@H+](CCCF)C2)C1 ZINC001007000036 632327964 /nfs/dbraw/zinc/32/79/64/632327964.db2.gz IIVBMXKTXYZKFH-CHWSQXEVSA-N 2 2 287.379 0.257 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCCF)C2)C1 ZINC001007000036 632327968 /nfs/dbraw/zinc/32/79/68/632327968.db2.gz IIVBMXKTXYZKFH-CHWSQXEVSA-N 2 2 287.379 0.257 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCF)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC000988933992 633128445 /nfs/dbraw/zinc/12/84/45/633128445.db2.gz PKELEKOIKRDSAG-CMPLNLGQSA-N 2 2 268.336 0.891 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCF)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC000988933992 633128447 /nfs/dbraw/zinc/12/84/47/633128447.db2.gz PKELEKOIKRDSAG-CMPLNLGQSA-N 2 2 268.336 0.891 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCO)CN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000989043216 633139894 /nfs/dbraw/zinc/13/98/94/633139894.db2.gz RSYSUAWVJHVTRZ-ZYHUDNBSSA-N 2 2 288.351 0.748 20 0 CCADLP CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC000990108207 633448005 /nfs/dbraw/zinc/44/80/05/633448005.db2.gz NKWFJCPTDCRQOE-SQWLQELKSA-N 2 2 295.427 0.840 20 0 CCADLP CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC000990108207 633448006 /nfs/dbraw/zinc/44/80/06/633448006.db2.gz NKWFJCPTDCRQOE-SQWLQELKSA-N 2 2 295.427 0.840 20 0 CCADLP CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC000990108207 633448007 /nfs/dbraw/zinc/44/80/07/633448007.db2.gz NKWFJCPTDCRQOE-SQWLQELKSA-N 2 2 295.427 0.840 20 0 CCADLP CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC000990108207 633448009 /nfs/dbraw/zinc/44/80/09/633448009.db2.gz NKWFJCPTDCRQOE-SQWLQELKSA-N 2 2 295.427 0.840 20 0 CCADLP CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC000990122324 633449866 /nfs/dbraw/zinc/44/98/66/633449866.db2.gz WQJGHHUGXITDDP-UMVBOHGHSA-N 2 2 281.400 0.450 20 0 CCADLP CC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC000990122324 633449870 /nfs/dbraw/zinc/44/98/70/633449870.db2.gz WQJGHHUGXITDDP-UMVBOHGHSA-N 2 2 281.400 0.450 20 0 CCADLP CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC000990122324 633449878 /nfs/dbraw/zinc/44/98/78/633449878.db2.gz WQJGHHUGXITDDP-UMVBOHGHSA-N 2 2 281.400 0.450 20 0 CCADLP CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC000990122324 633449882 /nfs/dbraw/zinc/44/98/82/633449882.db2.gz WQJGHHUGXITDDP-UMVBOHGHSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1cnn(C)n1 ZINC000924658129 633566681 /nfs/dbraw/zinc/56/66/81/633566681.db2.gz KBTIDABCNSTJMH-CYBMUJFWSA-N 2 2 280.420 0.493 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898904917 633690943 /nfs/dbraw/zinc/69/09/43/633690943.db2.gz NYLWERROHYENEK-CYBMUJFWSA-N 2 2 294.399 0.703 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC1CC[NH+](CC2CC2)CC1 ZINC000900274443 633983977 /nfs/dbraw/zinc/98/39/77/633983977.db2.gz PARXNMHBXBILJM-UHFFFAOYSA-N 2 2 262.357 0.943 20 0 CCADLP Cc1[nH]c(CNC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)[nH+]c1C ZINC000901000996 634139039 /nfs/dbraw/zinc/13/90/39/634139039.db2.gz QFHDBKWHWDUDKV-GXFFZTMASA-N 2 2 266.345 0.098 20 0 CCADLP Cc1[nH]c(CNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)[nH+]c1C ZINC000901000996 634139045 /nfs/dbraw/zinc/13/90/45/634139045.db2.gz QFHDBKWHWDUDKV-GXFFZTMASA-N 2 2 266.345 0.098 20 0 CCADLP Cc1[nH]c(CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)[nH+]c1C ZINC000901000151 634149229 /nfs/dbraw/zinc/14/92/29/634149229.db2.gz KUHKBNKNVCCMGU-CQSZACIVSA-N 2 2 280.372 0.490 20 0 CCADLP Cc1[nH]c(CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)[nH+]c1C ZINC000901000151 634149232 /nfs/dbraw/zinc/14/92/32/634149232.db2.gz KUHKBNKNVCCMGU-CQSZACIVSA-N 2 2 280.372 0.490 20 0 CCADLP COC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001009347158 650143184 /nfs/dbraw/zinc/14/31/84/650143184.db2.gz PNEHSAUBOJMSRH-YPMHNXCESA-N 2 2 294.399 0.876 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000901202652 634206882 /nfs/dbraw/zinc/20/68/82/634206882.db2.gz DDJDVHUKXXBRMM-GFCCVEGCSA-N 2 2 274.368 0.832 20 0 CCADLP CS[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH+](C)C ZINC000901230848 634212028 /nfs/dbraw/zinc/21/20/28/634212028.db2.gz SFOCCMVFSQRYCN-QWRGUYRKSA-N 2 2 268.386 0.456 20 0 CCADLP O=C1OCCN1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000902138198 634313279 /nfs/dbraw/zinc/31/32/79/634313279.db2.gz BRQZHJQFEDTMTJ-UHFFFAOYSA-N 2 2 297.399 0.830 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC[N@@H+]1CCO ZINC000907543722 635148730 /nfs/dbraw/zinc/14/87/30/635148730.db2.gz GRAHXQOMJPDBAR-RBSFLKMASA-N 2 2 295.427 0.528 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC[N@H+]1CCO ZINC000907543722 635148735 /nfs/dbraw/zinc/14/87/35/635148735.db2.gz GRAHXQOMJPDBAR-RBSFLKMASA-N 2 2 295.427 0.528 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC[NH+]1CCO ZINC000907543722 635148745 /nfs/dbraw/zinc/14/87/45/635148745.db2.gz GRAHXQOMJPDBAR-RBSFLKMASA-N 2 2 295.427 0.528 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC[NH+]1CCO ZINC000907543722 635148751 /nfs/dbraw/zinc/14/87/51/635148751.db2.gz GRAHXQOMJPDBAR-RBSFLKMASA-N 2 2 295.427 0.528 20 0 CCADLP 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283.416 0.731 20 0 CCADLP C[C@H](CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)Cn1cc[nH+]c1 ZINC000872281584 646237978 /nfs/dbraw/zinc/23/79/78/646237978.db2.gz UNDHDFZXVLMWOR-NMKXLXIOSA-N 2 2 262.357 0.763 20 0 CCADLP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1nnnn1C1CC1 ZINC000873220194 646361602 /nfs/dbraw/zinc/36/16/02/646361602.db2.gz QRVMPNURZNCCBD-AEJSXWLSSA-N 2 2 250.350 0.929 20 0 CCADLP O=C1OCC[C@@H]1CCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000873282475 646369671 /nfs/dbraw/zinc/36/96/71/646369671.db2.gz ISFKQVUHCRULIW-BFHYXJOUSA-N 2 2 282.384 0.686 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873294226 646371812 /nfs/dbraw/zinc/37/18/12/646371812.db2.gz QOJSSGCQNHSIPD-QLFBSQMISA-N 3 2 297.443 0.502 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292865 646372600 /nfs/dbraw/zinc/37/26/00/646372600.db2.gz GEMOGHZGUCWAMX-MCIONIFRSA-N 3 2 267.417 0.733 20 0 CCADLP 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CCADLP Nc1nnc([C@@H]2CCC[N@@H+](C[C@H](O)C[NH+]3CCCC3)C2)o1 ZINC000878946965 647002649 /nfs/dbraw/zinc/00/26/49/647002649.db2.gz HMMAYARDOPCNAJ-VXGBXAGGSA-N 2 2 295.387 0.288 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCC(CO)(CO)CC1 ZINC000879970502 647137346 /nfs/dbraw/zinc/13/73/46/647137346.db2.gz SZSXFZXGUYYHBC-UHFFFAOYSA-N 2 2 253.346 0.258 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H]2CCC3(CCOCC3)O2)C[C@H]1[NH3+] ZINC000883430177 647525425 /nfs/dbraw/zinc/52/54/25/647525425.db2.gz OQMCXZHBNAMMBQ-FRRDWIJNSA-N 2 2 254.374 0.994 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCOCC3)O2)C[C@H]1[NH3+] ZINC000883430177 647525428 /nfs/dbraw/zinc/52/54/28/647525428.db2.gz OQMCXZHBNAMMBQ-FRRDWIJNSA-N 2 2 254.374 0.994 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CCC[NH2+]C2)c[nH+]1 ZINC000884011642 647608665 /nfs/dbraw/zinc/60/86/65/647608665.db2.gz KZWWWMGRKRTCGX-NSHDSACASA-N 2 2 250.346 0.795 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]([NH3+])CC2CC2)[C@@H](C)CO1 ZINC000884401720 647728675 /nfs/dbraw/zinc/72/86/75/647728675.db2.gz ZBTBOKRHMOIWOM-LOWVWBTDSA-N 2 2 269.389 0.339 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]([NH3+])CC2CC2)[C@@H](C)CO1 ZINC000884401720 647728680 /nfs/dbraw/zinc/72/86/80/647728680.db2.gz ZBTBOKRHMOIWOM-LOWVWBTDSA-N 2 2 269.389 0.339 20 0 CCADLP Cc1cc(CNC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)cc(C)[nH+]1 ZINC000884726708 647801828 /nfs/dbraw/zinc/80/18/28/647801828.db2.gz AGCOFNGRFYVOAW-WCQYABFASA-N 2 2 290.367 0.263 20 0 CCADLP C[N@@H+]1CC[C@@H]1CNC(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000925418695 648432273 /nfs/dbraw/zinc/43/22/73/648432273.db2.gz WLPHARNTPNUMGF-NWDGAFQWSA-N 2 2 277.372 0.449 20 0 CCADLP C[N@H+]1CC[C@@H]1CNC(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000925418695 648432277 /nfs/dbraw/zinc/43/22/77/648432277.db2.gz WLPHARNTPNUMGF-NWDGAFQWSA-N 2 2 277.372 0.449 20 0 CCADLP C[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)N1CCOCC1 ZINC000925524877 648440444 /nfs/dbraw/zinc/44/04/44/648440444.db2.gz BDADMNXOBQTISG-OLZOCXBDSA-N 2 2 253.390 0.581 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925549535 648442263 /nfs/dbraw/zinc/44/22/63/648442263.db2.gz MTGGBAAQHLPLTA-KGLIPLIRSA-N 3 2 266.433 0.497 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000925628543 648449566 /nfs/dbraw/zinc/44/95/66/648449566.db2.gz IKEXGEQPJMHUHD-AVGNSLFASA-N 2 2 270.373 0.639 20 0 CCADLP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925641261 648450079 /nfs/dbraw/zinc/45/00/79/648450079.db2.gz LPPLCODORYUTPG-HUUCEWRRSA-N 3 2 280.460 0.887 20 0 CCADLP c1ncn(-c2cc(C[NH2+][C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)ccn2)n1 ZINC000925727114 648457361 /nfs/dbraw/zinc/45/73/61/648457361.db2.gz YMNAFJNZBLPXNQ-RDUHTLEXSA-N 2 2 296.378 0.748 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925846439 648466068 /nfs/dbraw/zinc/46/60/68/648466068.db2.gz NHJWHDNPHAWQIW-CVEARBPZSA-N 3 2 298.475 0.419 20 0 CCADLP Cc1ccc(NCCNC(=O)NCC[NH+]2CCC2)[nH+]c1 ZINC000927468079 648559178 /nfs/dbraw/zinc/55/91/78/648559178.db2.gz UNQKQDWQYFVWTN-UHFFFAOYSA-N 2 2 277.372 0.807 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928081939 648613817 /nfs/dbraw/zinc/61/38/17/648613817.db2.gz POZXTHQMJJFKGS-OLZOCXBDSA-N 2 2 294.424 0.888 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928081939 648613821 /nfs/dbraw/zinc/61/38/21/648613821.db2.gz POZXTHQMJJFKGS-OLZOCXBDSA-N 2 2 294.424 0.888 20 0 CCADLP CS(=O)(=O)N1CC(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000929992547 648810070 /nfs/dbraw/zinc/81/00/70/648810070.db2.gz TYCKVGZZQSNURO-LBPRGKRZSA-N 2 2 298.412 0.481 20 0 CCADLP CS(=O)(=O)N1CC(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000929992547 648810072 /nfs/dbraw/zinc/81/00/72/648810072.db2.gz TYCKVGZZQSNURO-LBPRGKRZSA-N 2 2 298.412 0.481 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H](O)C1(O)CCCC1 ZINC000930128081 648828113 /nfs/dbraw/zinc/82/81/13/648828113.db2.gz YXWHTDHSRKHUCT-CYBMUJFWSA-N 2 2 267.373 0.871 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H](O)C1(O)CCCC1 ZINC000930128081 648828117 /nfs/dbraw/zinc/82/81/17/648828117.db2.gz YXWHTDHSRKHUCT-CYBMUJFWSA-N 2 2 267.373 0.871 20 0 CCADLP Cc1cc(=O)[nH]c([C@@H](C)[NH+]2CCC(O)(C[NH+](C)C)CC2)n1 ZINC000931481438 648994075 /nfs/dbraw/zinc/99/40/75/648994075.db2.gz IENAXLHGBDKJOP-GFCCVEGCSA-N 2 2 294.399 0.940 20 0 CCADLP Cc1nnc(C[NH+]2CCC(O)(C[NH+](C)C)CC2)n1C1CC1 ZINC000931483263 648995126 /nfs/dbraw/zinc/99/51/26/648995126.db2.gz ZKRYUIZWJMWWPU-UHFFFAOYSA-N 2 2 293.415 0.810 20 0 CCADLP Nc1cc[nH+]c2c1C[N@H+](CCO[C@H]1CCOC1)CC2 ZINC000931517204 648999688 /nfs/dbraw/zinc/99/96/88/648999688.db2.gz VRBULJZLNBIIRS-NSHDSACASA-N 2 2 263.341 0.827 20 0 CCADLP Nc1cc[nH+]c2c1C[N@@H+](CCO[C@H]1CCOC1)CC2 ZINC000931517204 648999692 /nfs/dbraw/zinc/99/96/92/648999692.db2.gz VRBULJZLNBIIRS-NSHDSACASA-N 2 2 263.341 0.827 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N1CCc2[nH+]ccc(N)c2C1 ZINC000931517896 649000607 /nfs/dbraw/zinc/00/06/07/649000607.db2.gz GNZNIYVWDDPMBQ-LBPRGKRZSA-N 2 2 276.384 0.743 20 0 CCADLP O=C([C@H]1CCCc2[nH+]ccn21)N1CC[NH+](CCCO)CC1 ZINC000948755704 649393118 /nfs/dbraw/zinc/39/31/18/649393118.db2.gz JCQFIMFCBFDDSB-CYBMUJFWSA-N 2 2 292.383 0.287 20 0 CCADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1nnnn1C1CC1 ZINC000191499808 649480928 /nfs/dbraw/zinc/48/09/28/649480928.db2.gz RJFTZJUJAMCYOG-SNVBAGLBSA-N 2 2 261.333 0.945 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCS(=O)(=O)C2)C1 ZINC000250518215 649772243 /nfs/dbraw/zinc/77/22/43/649772243.db2.gz RNSSSCHJNCNWJZ-OLZOCXBDSA-N 2 2 274.430 0.884 20 0 CCADLP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCCS(=O)(=O)C2)C1 ZINC000250518215 649772246 /nfs/dbraw/zinc/77/22/46/649772246.db2.gz RNSSSCHJNCNWJZ-OLZOCXBDSA-N 2 2 274.430 0.884 20 0 CCADLP Cc1nc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c2c([nH+]1)CCC2 ZINC001164671462 719421090 /nfs/dbraw/zinc/42/10/90/719421090.db2.gz PLWCLNZJFNBKGQ-UONOGXRCSA-N 2 2 274.368 0.793 20 0 CCADLP Cc1nc(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c2c([nH+]1)CCC2 ZINC001164671462 719421097 /nfs/dbraw/zinc/42/10/97/719421097.db2.gz PLWCLNZJFNBKGQ-UONOGXRCSA-N 2 2 274.368 0.793 20 0 CCADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1cccc(N)[nH+]1 ZINC001164927220 721855315 /nfs/dbraw/zinc/85/53/15/721855315.db2.gz KCYOFZOEWYEJOU-QWHCGFSZSA-N 2 2 275.400 0.878 20 0 CCADLP CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1cccc(N)[nH+]1 ZINC001164927220 721855319 /nfs/dbraw/zinc/85/53/19/721855319.db2.gz KCYOFZOEWYEJOU-QWHCGFSZSA-N 2 2 275.400 0.878 20 0 CCADLP CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1cccc(N)[nH+]1 ZINC001164927220 721855321 /nfs/dbraw/zinc/85/53/21/721855321.db2.gz KCYOFZOEWYEJOU-QWHCGFSZSA-N 2 2 275.400 0.878 20 0 CCADLP COCCCC[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001230438220 805601626 /nfs/dbraw/zinc/60/16/26/805601626.db2.gz AYDJDPKEBNKFLX-UHFFFAOYSA-N 2 2 294.399 0.890 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]CCC[C@@H]1CCOC1 ZINC001167346099 790934426 /nfs/dbraw/zinc/93/44/26/790934426.db2.gz HDKSQTQMIATGHL-CYBMUJFWSA-N 2 2 294.399 0.865 20 0 CCADLP C[C@H]1CC[C@@H](C[NH2+]CCCNC(=O)Cc2c[nH]c[nH+]2)O1 ZINC001167346632 790936631 /nfs/dbraw/zinc/93/66/31/790936631.db2.gz RCBCNNUZYNRAPG-AAEUAGOBSA-N 2 2 280.372 0.616 20 0 CCADLP C[C@@H](CC(=O)NCCC[NH2+]C[C@H]1CCOC1)n1cc[nH+]c1 ZINC001167428005 791062303 /nfs/dbraw/zinc/06/23/03/791062303.db2.gz FIKRNHMMOUXBOQ-UONOGXRCSA-N 2 2 294.399 0.967 20 0 CCADLP COC(=O)[C@@H](O)C[NH2+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000398326608 791116601 /nfs/dbraw/zinc/11/66/01/791116601.db2.gz AXOMLKJDZISFNC-LJISPDSOSA-N 2 2 290.363 0.240 20 0 CCADLP COC(=O)[C@@H](O)C[NH2+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000398326608 791116605 /nfs/dbraw/zinc/11/66/05/791116605.db2.gz AXOMLKJDZISFNC-LJISPDSOSA-N 2 2 290.363 0.240 20 0 CCADLP C[N@H+](C1CC1)C1CC[NH+](Cc2c[nH]c(=O)[nH]c2=O)CC1 ZINC001231705734 805835900 /nfs/dbraw/zinc/83/59/00/805835900.db2.gz ADIVPKBQSQPTLY-UHFFFAOYSA-N 2 2 278.356 0.946 20 0 CCADLP C[N@@H+](C1CC1)C1CC[NH+](Cc2c[nH]c(=O)[nH]c2=O)CC1 ZINC001231705734 805835907 /nfs/dbraw/zinc/83/59/07/805835907.db2.gz ADIVPKBQSQPTLY-UHFFFAOYSA-N 2 2 278.356 0.946 20 0 CCADLP Cc1ncncc1C[NH+]1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001277609986 805899694 /nfs/dbraw/zinc/89/96/94/805899694.db2.gz PAUUCMFFZCKKIR-UHFFFAOYSA-N 2 2 275.400 0.464 20 0 CCADLP COCC1C[NH+](Cc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC001232360287 805928954 /nfs/dbraw/zinc/92/89/54/805928954.db2.gz DKVKHCIEPDOIDM-UHFFFAOYSA-N 2 2 290.411 0.912 20 0 CCADLP Cc1cc[nH+]c(N2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)c1 ZINC001277681201 805959862 /nfs/dbraw/zinc/95/98/62/805959862.db2.gz UZYNOMLAXSFPQG-GJZGRUSLSA-N 2 2 290.411 0.841 20 0 CCADLP CCOCC[NH2+]C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001266814310 791258787 /nfs/dbraw/zinc/25/87/87/791258787.db2.gz NQRZGWUWFYTVML-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP C[NH+](C)CCN(CC[NH+](C)C)Cc1cccc(N)[nH+]1 ZINC001233371308 806050098 /nfs/dbraw/zinc/05/00/98/806050098.db2.gz KBAWNOSBRFTECR-UHFFFAOYSA-N 3 2 265.405 0.589 20 0 CCADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891819693 791333656 /nfs/dbraw/zinc/33/36/56/791333656.db2.gz REBCHUYBJVVQCH-UPJWGTAASA-N 2 2 289.383 0.734 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([N@H+](C)CCF)C1 ZINC000971949419 791459163 /nfs/dbraw/zinc/45/91/63/791459163.db2.gz JHADEGDJIWPNLS-LBPRGKRZSA-N 2 2 268.336 0.694 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([N@@H+](C)CCF)C1 ZINC000971949419 791459174 /nfs/dbraw/zinc/45/91/74/791459174.db2.gz JHADEGDJIWPNLS-LBPRGKRZSA-N 2 2 268.336 0.694 20 0 CCADLP COC[C@@H](C)[NH2+]CC1(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001167532434 791514534 /nfs/dbraw/zinc/51/45/34/791514534.db2.gz QFRRCTVXRWSXSL-GFCCVEGCSA-N 2 2 294.399 0.863 20 0 CCADLP CC(C)=CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001038139370 791532782 /nfs/dbraw/zinc/53/27/82/791532782.db2.gz BSLBTLLKRWDOAY-KGLIPLIRSA-N 2 2 281.400 0.474 20 0 CCADLP CC(C)=CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001038139370 791532789 /nfs/dbraw/zinc/53/27/89/791532789.db2.gz BSLBTLLKRWDOAY-KGLIPLIRSA-N 2 2 281.400 0.474 20 0 CCADLP CC(C)=CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001038139370 791532795 /nfs/dbraw/zinc/53/27/95/791532795.db2.gz BSLBTLLKRWDOAY-KGLIPLIRSA-N 2 2 281.400 0.474 20 0 CCADLP CC(C)=CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001038139370 791532805 /nfs/dbraw/zinc/53/28/05/791532805.db2.gz BSLBTLLKRWDOAY-KGLIPLIRSA-N 2 2 281.400 0.474 20 0 CCADLP C[N@H+](CCCF)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001267200002 791664434 /nfs/dbraw/zinc/66/44/34/791664434.db2.gz AWRGDZDACWQTKA-GHMZBOCLSA-N 2 2 268.336 0.921 20 0 CCADLP C[N@@H+](CCCF)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001267200002 791664439 /nfs/dbraw/zinc/66/44/39/791664439.db2.gz AWRGDZDACWQTKA-GHMZBOCLSA-N 2 2 268.336 0.921 20 0 CCADLP C[N@H+](CCCF)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001267200002 791664443 /nfs/dbraw/zinc/66/44/43/791664443.db2.gz AWRGDZDACWQTKA-GHMZBOCLSA-N 2 2 268.336 0.921 20 0 CCADLP C[N@@H+](CCCF)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001267200002 791664447 /nfs/dbraw/zinc/66/44/47/791664447.db2.gz AWRGDZDACWQTKA-GHMZBOCLSA-N 2 2 268.336 0.921 20 0 CCADLP C[C@]1([NH3+])CC[N@H+](C[C@H](O)COCC(F)(F)C(F)F)C1 ZINC001246013718 807116211 /nfs/dbraw/zinc/11/62/11/807116211.db2.gz IRDXRQDYRYQWAL-WPRPVWTQSA-N 2 2 288.285 0.687 20 0 CCADLP C[C@]1([NH3+])CC[N@@H+](C[C@H](O)COCC(F)(F)C(F)F)C1 ZINC001246013718 807116213 /nfs/dbraw/zinc/11/62/13/807116213.db2.gz IRDXRQDYRYQWAL-WPRPVWTQSA-N 2 2 288.285 0.687 20 0 CCADLP c1cc2c(cc1C[N@@H+]1CCN[C@]3(CC[NH2+]C3)C1)C[NH2+]CC2 ZINC001235059117 806362135 /nfs/dbraw/zinc/36/21/35/806362135.db2.gz BRXIILHQHVAJKC-KRWDZBQOSA-N 3 2 286.423 0.470 20 0 CCADLP c1cc2c(cc1C[N@H+]1CCN[C@]3(CC[NH2+]C3)C1)C[NH2+]CC2 ZINC001235059117 806362144 /nfs/dbraw/zinc/36/21/44/806362144.db2.gz BRXIILHQHVAJKC-KRWDZBQOSA-N 3 2 286.423 0.470 20 0 CCADLP c1cc2c(cn1)cncc2C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235064350 806365793 /nfs/dbraw/zinc/36/57/93/806365793.db2.gz XEXJTGLJSJXSIZ-INIZCTEOSA-N 2 2 283.379 0.767 20 0 CCADLP c1cc2c(cn1)cncc2C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235064350 806365802 /nfs/dbraw/zinc/36/58/02/806365802.db2.gz XEXJTGLJSJXSIZ-INIZCTEOSA-N 2 2 283.379 0.767 20 0 CCADLP c1cc2ccc(C[N@@H+]3CCN[C@]4(CC[NH2+]C4)C3)nc2[nH]1 ZINC001235065639 806368752 /nfs/dbraw/zinc/36/87/52/806368752.db2.gz YAKSSULLQFXYSI-HNNXBMFYSA-N 2 2 271.368 0.700 20 0 CCADLP c1cc2ccc(C[N@H+]3CCN[C@]4(CC[NH2+]C4)C3)nc2[nH]1 ZINC001235065639 806368762 /nfs/dbraw/zinc/36/87/62/806368762.db2.gz YAKSSULLQFXYSI-HNNXBMFYSA-N 2 2 271.368 0.700 20 0 CCADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](CCCCO)CC2 ZINC001235488784 806432778 /nfs/dbraw/zinc/43/27/78/806432778.db2.gz MMVYCEVBPUOMQJ-UHFFFAOYSA-N 2 2 283.416 0.435 20 0 CCADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](CCCCO)CC2 ZINC001235488784 806432783 /nfs/dbraw/zinc/43/27/83/806432783.db2.gz MMVYCEVBPUOMQJ-UHFFFAOYSA-N 2 2 283.416 0.435 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC[C@@]3(CCCC(=O)N3)C2)O1 ZINC001235575111 806461375 /nfs/dbraw/zinc/46/13/75/806461375.db2.gz HQXCOJWTSGZLOM-WFASDCNBSA-N 2 2 281.400 0.846 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC[C@@]3(CCCC(=O)N3)C2)O1 ZINC001235575111 806461377 /nfs/dbraw/zinc/46/13/77/806461377.db2.gz HQXCOJWTSGZLOM-WFASDCNBSA-N 2 2 281.400 0.846 20 0 CCADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](CCCC[NH3+])C[C@H]3C2)cn1 ZINC001235598632 806468866 /nfs/dbraw/zinc/46/88/66/806468866.db2.gz VFBQBJNCPYQORB-CVEARBPZSA-N 3 2 291.443 0.913 20 0 CCADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](CCCC[NH3+])C[C@H]3C2)cn1 ZINC001235598632 806468869 /nfs/dbraw/zinc/46/88/69/806468869.db2.gz VFBQBJNCPYQORB-CVEARBPZSA-N 3 2 291.443 0.913 20 0 CCADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](CCCC[NH3+])C[C@H]3C2)cn1 ZINC001235598632 806468872 /nfs/dbraw/zinc/46/88/72/806468872.db2.gz VFBQBJNCPYQORB-CVEARBPZSA-N 3 2 291.443 0.913 20 0 CCADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](CCCC[NH3+])C[C@H]3C2)cn1 ZINC001235598632 806468876 /nfs/dbraw/zinc/46/88/76/806468876.db2.gz VFBQBJNCPYQORB-CVEARBPZSA-N 3 2 291.443 0.913 20 0 CCADLP C[C@H]([NH3+])C[NH+]1CCC2(C[C@@H](C(=O)NC3CCC3)CO2)CC1 ZINC001235598677 806469732 /nfs/dbraw/zinc/46/97/32/806469732.db2.gz XQQQQALPOTYVBQ-QWHCGFSZSA-N 2 2 295.427 0.873 20 0 CCADLP C[C@@H]([NH3+])C[NH+]1CCC2(C[C@@H](c3ccncc3)C(=O)N2)CC1 ZINC001235597263 806469779 /nfs/dbraw/zinc/46/97/79/806469779.db2.gz MQPYSXBBXOUHSO-OCCSQVGLSA-N 2 2 288.395 0.867 20 0 CCADLP CN1C[C@@H]2C[N@H+](C[C@H]([NH3+])Cc3ccccc3)C[C@@H]2C1=O ZINC001235602743 806471568 /nfs/dbraw/zinc/47/15/68/806471568.db2.gz SURYDVDGWZZLIY-KFWWJZLASA-N 2 2 273.380 0.576 20 0 CCADLP CN1C[C@@H]2C[N@@H+](C[C@H]([NH3+])Cc3ccccc3)C[C@@H]2C1=O ZINC001235602743 806471574 /nfs/dbraw/zinc/47/15/74/806471574.db2.gz SURYDVDGWZZLIY-KFWWJZLASA-N 2 2 273.380 0.576 20 0 CCADLP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1cccc(-c3nn[nH]n3)c1)C2 ZINC001235985328 806522270 /nfs/dbraw/zinc/52/22/70/806522270.db2.gz CATMIZXISHDOPU-JSGCOSHPSA-N 2 2 270.340 0.790 20 0 CCADLP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1cccc(-c3nn[nH]n3)c1)C2 ZINC001235985328 806522273 /nfs/dbraw/zinc/52/22/73/806522273.db2.gz CATMIZXISHDOPU-JSGCOSHPSA-N 2 2 270.340 0.790 20 0 CCADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235990892 806522903 /nfs/dbraw/zinc/52/29/03/806522903.db2.gz DUTHWCYLBWROPQ-BWOQGFTMSA-N 3 2 289.370 0.383 20 0 CCADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235990892 806522908 /nfs/dbraw/zinc/52/29/08/806522908.db2.gz DUTHWCYLBWROPQ-BWOQGFTMSA-N 3 2 289.370 0.383 20 0 CCADLP C[C@@H]1CNCC(F)(F)[C@H]1C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235990892 806522913 /nfs/dbraw/zinc/52/29/13/806522913.db2.gz DUTHWCYLBWROPQ-BWOQGFTMSA-N 2 2 289.370 0.383 20 0 CCADLP C[C@@H]1CNCC(F)(F)[C@H]1C[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235990892 806522916 /nfs/dbraw/zinc/52/29/16/806522916.db2.gz DUTHWCYLBWROPQ-BWOQGFTMSA-N 2 2 289.370 0.383 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCc3ccc(=O)[nH]c3CC2)O1 ZINC001235986248 806523237 /nfs/dbraw/zinc/52/32/37/806523237.db2.gz NZJUJBMKZWINLE-LBPRGKRZSA-N 2 2 277.368 0.912 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCc3ccc(=O)[nH]c3CC2)O1 ZINC001235986248 806523242 /nfs/dbraw/zinc/52/32/42/806523242.db2.gz NZJUJBMKZWINLE-LBPRGKRZSA-N 2 2 277.368 0.912 20 0 CCADLP CCc1n[nH]cc1C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001236001853 806527688 /nfs/dbraw/zinc/52/76/88/806527688.db2.gz KZYQMNWNZBNBEF-QYJAPNMZSA-N 2 2 250.346 0.378 20 0 CCADLP CCc1n[nH]cc1C[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001236001853 806527691 /nfs/dbraw/zinc/52/76/91/806527691.db2.gz KZYQMNWNZBNBEF-QYJAPNMZSA-N 2 2 250.346 0.378 20 0 CCADLP CCOc1cc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])ccn1 ZINC001236001575 806527736 /nfs/dbraw/zinc/52/77/36/806527736.db2.gz JCJVZZSCCLTBLV-NNQSOWQGSA-N 2 2 277.368 0.886 20 0 CCADLP CCOc1cc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])ccn1 ZINC001236001575 806527737 /nfs/dbraw/zinc/52/77/37/806527737.db2.gz JCJVZZSCCLTBLV-NNQSOWQGSA-N 2 2 277.368 0.886 20 0 CCADLP CC(=O)N1CCC[C@@H]([N@H+](C)C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001236266381 806558026 /nfs/dbraw/zinc/55/80/26/806558026.db2.gz RDPYIDXTDWPXFM-OLZOCXBDSA-N 2 2 269.389 0.654 20 0 CCADLP CC(=O)N1CCC[C@@H]([N@@H+](C)C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001236266381 806558031 /nfs/dbraw/zinc/55/80/31/806558031.db2.gz RDPYIDXTDWPXFM-OLZOCXBDSA-N 2 2 269.389 0.654 20 0 CCADLP C[N@H+]1C[C@@H]2C(C(=O)Nc3cccc4[nH+]ccn43)=NO[C@@H]2C1 ZINC001278090798 806656239 /nfs/dbraw/zinc/65/62/39/806656239.db2.gz TXMOPMISCVMRLN-VHSXEESVSA-N 2 2 285.307 0.589 20 0 CCADLP C[N@@H+]1C[C@@H]2C(C(=O)Nc3cccc4[nH+]ccn43)=NO[C@@H]2C1 ZINC001278090798 806656241 /nfs/dbraw/zinc/65/62/41/806656241.db2.gz TXMOPMISCVMRLN-VHSXEESVSA-N 2 2 285.307 0.589 20 0 CCADLP CCOCC[C@H](O)C[NH2+]CC(C)(C)n1cc[nH+]c1 ZINC001120611393 798888299 /nfs/dbraw/zinc/88/82/99/798888299.db2.gz SBKCMQLFVBKPTG-LBPRGKRZSA-N 2 2 255.362 0.995 20 0 CCADLP C[C@H](CNc1nccnc1C[NH3+])C[NH+]1CCOCC1 ZINC001120899388 798958010 /nfs/dbraw/zinc/95/80/10/798958010.db2.gz PFTHHIPUDGRAEK-LLVKDONJSA-N 2 2 265.361 0.316 20 0 CCADLP [NH3+]Cc1ncc(C(=O)NCCCC[NH+]2CCOCC2)s1 ZINC001121990597 799114982 /nfs/dbraw/zinc/11/49/82/799114982.db2.gz GLVNNYGIOMDYIS-UHFFFAOYSA-N 2 2 298.412 0.444 20 0 CCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)C[C@H]([NH3+])C(F)F)C1 ZINC001122005756 799120134 /nfs/dbraw/zinc/12/01/34/799120134.db2.gz STLOFCBUXITORQ-ZJUUUORDSA-N 2 2 263.332 0.769 20 0 CCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@H]([NH3+])C(F)F)C1 ZINC001122005756 799120137 /nfs/dbraw/zinc/12/01/37/799120137.db2.gz STLOFCBUXITORQ-ZJUUUORDSA-N 2 2 263.332 0.769 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001122011198 799121218 /nfs/dbraw/zinc/12/12/18/799121218.db2.gz KIYNUQVEXSASTG-FZMZJTMJSA-N 2 2 262.357 0.800 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001122011198 799121222 /nfs/dbraw/zinc/12/12/22/799121222.db2.gz KIYNUQVEXSASTG-FZMZJTMJSA-N 2 2 262.357 0.800 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC001122021290 799124798 /nfs/dbraw/zinc/12/47/98/799124798.db2.gz MUYFFWNSWNDGDE-LBPRGKRZSA-N 2 2 262.357 0.800 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]([NH3+])C(F)F)CC[C@@H]21 ZINC001122192698 799165798 /nfs/dbraw/zinc/16/57/98/799165798.db2.gz VRSPVQMJSRGEDL-UTLUCORTSA-N 2 2 261.316 0.522 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]([NH3+])C(F)F)CC[C@@H]21 ZINC001122192698 799165800 /nfs/dbraw/zinc/16/58/00/799165800.db2.gz VRSPVQMJSRGEDL-UTLUCORTSA-N 2 2 261.316 0.522 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC001122295129 799190152 /nfs/dbraw/zinc/19/01/52/799190152.db2.gz DTUOPPGSVKHONM-KOLCDFICSA-N 2 2 250.346 0.704 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC001122295128 799190706 /nfs/dbraw/zinc/19/07/06/799190706.db2.gz DTUOPPGSVKHONM-GXSJLCMTSA-N 2 2 250.346 0.704 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001122301596 799192652 /nfs/dbraw/zinc/19/26/52/799192652.db2.gz HUMNBMBWKQEECH-IRCOFANPSA-N 2 2 260.341 0.581 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001122301596 799192657 /nfs/dbraw/zinc/19/26/57/799192657.db2.gz HUMNBMBWKQEECH-IRCOFANPSA-N 2 2 260.341 0.581 20 0 CCADLP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[C@@H]([NH3+])C(F)F)[C@H]2C1 ZINC001122572692 799265449 /nfs/dbraw/zinc/26/54/49/799265449.db2.gz BTBPZPZYHSUYRF-QEYWKRMJSA-N 2 2 261.316 0.425 20 0 CCADLP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[C@@H]([NH3+])C(F)F)[C@H]2C1 ZINC001122572692 799265452 /nfs/dbraw/zinc/26/54/52/799265452.db2.gz BTBPZPZYHSUYRF-QEYWKRMJSA-N 2 2 261.316 0.425 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](CO)[NH2+]CC1=CCCCC1 ZINC001278165183 806736633 /nfs/dbraw/zinc/73/66/33/806736633.db2.gz UQETWUWPEZRWGF-AWEZNQCLSA-N 2 2 292.383 0.519 20 0 CCADLP CN(C(=O)CCc1[nH+]ccn1C)[C@H]1CCC[N@@H+](C)C1 ZINC001123699648 799457146 /nfs/dbraw/zinc/45/71/46/799457146.db2.gz SCINVYAISKJOGG-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)s1 ZINC001124878810 799644098 /nfs/dbraw/zinc/64/40/98/799644098.db2.gz OTRONAQGACTJLG-ONGXEEELSA-N 2 2 297.428 0.708 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)s1 ZINC001124878810 799644101 /nfs/dbraw/zinc/64/41/01/799644101.db2.gz OTRONAQGACTJLG-ONGXEEELSA-N 2 2 297.428 0.708 20 0 CCADLP Nc1ncc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC001138159869 799704768 /nfs/dbraw/zinc/70/47/68/799704768.db2.gz JLFKBPMXPUCLCM-UHFFFAOYSA-N 2 2 270.340 0.776 20 0 CCADLP Cc1cc(C[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)nn1C ZINC001138828085 799758461 /nfs/dbraw/zinc/75/84/61/799758461.db2.gz KGJPASYBMBCIIV-JKSUJKDBSA-N 2 2 291.443 0.939 20 0 CCADLP Cc1cc(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)nn1C ZINC001138828085 799758466 /nfs/dbraw/zinc/75/84/66/799758466.db2.gz KGJPASYBMBCIIV-JKSUJKDBSA-N 2 2 291.443 0.939 20 0 CCADLP [NH3+]Cc1ncccc1NC(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001142634778 800142867 /nfs/dbraw/zinc/14/28/67/800142867.db2.gz BFWLWVXYKUAWMA-CYBMUJFWSA-N 2 2 260.341 0.963 20 0 CCADLP [NH3+]CC[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC001238837143 806812535 /nfs/dbraw/zinc/81/25/35/806812535.db2.gz AZSREYATQQZFCD-UHFFFAOYSA-N 2 2 295.767 0.306 20 0 CCADLP Cc1cccc(S(=O)(=O)NCC[NH2+]CC[NH3+])c1C ZINC001238839891 806813166 /nfs/dbraw/zinc/81/31/66/806813166.db2.gz VHRGKLHKANAKAL-UHFFFAOYSA-N 2 2 271.386 0.130 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](CCF)CCCO1 ZINC001150725912 800362433 /nfs/dbraw/zinc/36/24/33/800362433.db2.gz XNSMTJBPNAXKBG-CYBMUJFWSA-N 2 2 298.362 0.368 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](CCF)CCCO1 ZINC001150725912 800362439 /nfs/dbraw/zinc/36/24/39/800362439.db2.gz XNSMTJBPNAXKBG-CYBMUJFWSA-N 2 2 298.362 0.368 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2ncc(C3CC3)o2)C1 ZINC001151048992 800388737 /nfs/dbraw/zinc/38/87/37/800388737.db2.gz GHCWJFWIROWOGO-LBPRGKRZSA-N 2 2 292.383 0.710 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2ncc(C3CC3)o2)C1 ZINC001151048992 800388742 /nfs/dbraw/zinc/38/87/42/800388742.db2.gz GHCWJFWIROWOGO-LBPRGKRZSA-N 2 2 292.383 0.710 20 0 CCADLP CC(C)c1nnc(C[NH2+]CCNC(=O)C[NH+]2CCCC2)o1 ZINC001151114468 800401408 /nfs/dbraw/zinc/40/14/08/800401408.db2.gz NHCNTJQFRAIPCH-UHFFFAOYSA-N 2 2 295.387 0.495 20 0 CCADLP COc1ccc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2)cc1 ZINC001153487743 800633778 /nfs/dbraw/zinc/63/37/78/800633778.db2.gz LOECZUHMNGQUPD-UHFFFAOYSA-N 2 2 288.351 0.798 20 0 CCADLP CC/C=C\CC[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153496211 800635166 /nfs/dbraw/zinc/63/51/66/800635166.db2.gz WFQLDVXIXMNSEK-ARJAWSKDSA-N 2 2 250.346 0.945 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]C[C@@H]1CCCCO1 ZINC001153500661 800636634 /nfs/dbraw/zinc/63/66/34/800636634.db2.gz UBCJPFFYTHDGMJ-LBPRGKRZSA-N 2 2 266.345 0.158 20 0 CCADLP CC[N@H+](CCOC)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001153760550 800660866 /nfs/dbraw/zinc/66/08/66/800660866.db2.gz OIYRUUIBVUYGBT-GFCCVEGCSA-N 2 2 282.388 0.815 20 0 CCADLP CC[N@@H+](CCOC)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001153760550 800660873 /nfs/dbraw/zinc/66/08/73/800660873.db2.gz OIYRUUIBVUYGBT-GFCCVEGCSA-N 2 2 282.388 0.815 20 0 CCADLP CC[N@H+](CCOC)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001153760550 800660878 /nfs/dbraw/zinc/66/08/78/800660878.db2.gz OIYRUUIBVUYGBT-GFCCVEGCSA-N 2 2 282.388 0.815 20 0 CCADLP CC[N@@H+](CCOC)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001153760550 800660881 /nfs/dbraw/zinc/66/08/81/800660881.db2.gz OIYRUUIBVUYGBT-GFCCVEGCSA-N 2 2 282.388 0.815 20 0 CCADLP CC[N@H+](CCO)[C@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001154093088 800720003 /nfs/dbraw/zinc/72/00/03/800720003.db2.gz RMTDSTKYBRNIOH-CHWSQXEVSA-N 2 2 294.399 0.264 20 0 CCADLP CC[N@@H+](CCO)[C@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001154093088 800720007 /nfs/dbraw/zinc/72/00/07/800720007.db2.gz RMTDSTKYBRNIOH-CHWSQXEVSA-N 2 2 294.399 0.264 20 0 CCADLP CC[N@H+](CCCO)[C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001154435621 800780964 /nfs/dbraw/zinc/78/09/64/800780964.db2.gz HIWSYGVZWAJSHY-CYBMUJFWSA-N 2 2 296.415 0.562 20 0 CCADLP CC[N@@H+](CCCO)[C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001154435621 800780966 /nfs/dbraw/zinc/78/09/66/800780966.db2.gz HIWSYGVZWAJSHY-CYBMUJFWSA-N 2 2 296.415 0.562 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)NCCc1[nH+]ccn1C ZINC001154598531 800807704 /nfs/dbraw/zinc/80/77/04/800807704.db2.gz IRUVAZMVNLQTIV-LLVKDONJSA-N 2 2 252.362 0.667 20 0 CCADLP Cn1ccc2c1nc[nH+]c2NC[C@H]1C[N@H+](C)CCO1 ZINC001155193855 800927514 /nfs/dbraw/zinc/92/75/14/800927514.db2.gz LQNCIPTVYYRYPK-JTQLQIEISA-N 2 2 261.329 0.711 20 0 CCADLP Cn1ccc2c1nc[nH+]c2NC[C@H]1C[N@@H+](C)CCO1 ZINC001155193855 800927516 /nfs/dbraw/zinc/92/75/16/800927516.db2.gz LQNCIPTVYYRYPK-JTQLQIEISA-N 2 2 261.329 0.711 20 0 CCADLP CCN(CC)c1cc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)nc[nH+]1 ZINC001155575169 801012902 /nfs/dbraw/zinc/01/29/02/801012902.db2.gz LDCJKLDJYDTVDW-HZMBPMFUSA-N 2 2 290.371 0.313 20 0 CCADLP CCc1cc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)nc(C)[nH+]1 ZINC001155576217 801013973 /nfs/dbraw/zinc/01/39/73/801013973.db2.gz PEWQBOBMDQHOAX-GWCFXTLKSA-N 2 2 261.329 0.337 20 0 CCADLP CC[N@H+](CCC[C@@H](C)O)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156011482 801093188 /nfs/dbraw/zinc/09/31/88/801093188.db2.gz HEGXZLMDSKPDAH-CHWSQXEVSA-N 2 2 296.415 0.940 20 0 CCADLP CC[N@@H+](CCC[C@@H](C)O)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156011482 801093194 /nfs/dbraw/zinc/09/31/94/801093194.db2.gz HEGXZLMDSKPDAH-CHWSQXEVSA-N 2 2 296.415 0.940 20 0 CCADLP C[NH+]1CCN(c2cccc(NC[C@@H]3CCC(=O)N3)[nH+]2)CC1 ZINC001156150524 801116953 /nfs/dbraw/zinc/11/69/53/801116953.db2.gz AIEAACZZZAGPAI-LBPRGKRZSA-N 2 2 289.383 0.524 20 0 CCADLP C[NH+](C)C1(CNc2ccc(C(N)=O)cn2)CC[NH+](C)CC1 ZINC001156181853 801123229 /nfs/dbraw/zinc/12/32/29/801123229.db2.gz GQHOIBRSPCDGCD-UHFFFAOYSA-N 2 2 291.399 0.618 20 0 CCADLP CC[C@@H](C)COC(=O)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239334693 806887549 /nfs/dbraw/zinc/88/75/49/806887549.db2.gz LEQRPCNPFCVHFU-CYBMUJFWSA-N 2 2 286.420 0.254 20 0 CCADLP c1cc(NCc2cncnc2)[nH+]cc1N1CC[NH2+]CC1 ZINC001156573685 801190119 /nfs/dbraw/zinc/19/01/19/801190119.db2.gz QPHRRUNLGMFUGL-UHFFFAOYSA-N 2 2 270.340 0.893 20 0 CCADLP C[NH+]1CCN(c2cccc(NCC(C)(C)C(N)=O)[nH+]2)CC1 ZINC001156738872 801228512 /nfs/dbraw/zinc/22/85/12/801228512.db2.gz YPQUZDWQCYAFOA-UHFFFAOYSA-N 2 2 291.399 0.757 20 0 CCADLP C[NH+]1CC2(CN(C(=O)c3ccc4[nH]c(N)[nH+]c4c3)C2)C1 ZINC001156972383 801275483 /nfs/dbraw/zinc/27/54/83/801275483.db2.gz ZJIZERCSERVCQB-UHFFFAOYSA-N 2 2 271.324 0.533 20 0 CCADLP C[NH+]1CC2(CN(C(=O)c3ccc4[nH+]c(N)[nH]c4c3)C2)C1 ZINC001156972383 801275490 /nfs/dbraw/zinc/27/54/90/801275490.db2.gz ZJIZERCSERVCQB-UHFFFAOYSA-N 2 2 271.324 0.533 20 0 CCADLP COc1cnccc1[C@@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C1CC1 ZINC001157082976 801296597 /nfs/dbraw/zinc/29/65/97/801296597.db2.gz RHZZVZDLZGMUMN-OSMZGAPFSA-N 2 2 290.367 0.347 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC(=O)[C@@H]2CCCC[C@H]21 ZINC001157566909 801422472 /nfs/dbraw/zinc/42/24/72/801422472.db2.gz GIZAQUZWAVWNQT-OUAUKWLOSA-N 2 2 253.346 0.023 20 0 CCADLP O=C(N1CCC(=O)[C@H]2CCCC[C@H]21)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157567739 801422924 /nfs/dbraw/zinc/42/29/24/801422924.db2.gz NUDZBYHPNSNARO-JFILPPLUSA-N 2 2 291.395 0.298 20 0 CCADLP COC1(C)CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)CC1 ZINC001157688851 801456339 /nfs/dbraw/zinc/45/63/39/801456339.db2.gz KZMIBNLULVPOBU-LBPRGKRZSA-N 2 2 280.372 0.317 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC2(CC([NH3+])C2)CC1 ZINC001158081647 801568952 /nfs/dbraw/zinc/56/89/52/801568952.db2.gz FLBIZWRFONQKTF-ZDUSSCGKSA-N 3 2 291.399 0.020 20 0 CCADLP COC(=O)c1cc(F)cnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158203834 801592734 /nfs/dbraw/zinc/59/27/34/801592734.db2.gz RCGCJBZKULTKJE-SECBINFHSA-N 2 2 294.286 0.055 20 0 CCADLP CN(C)c1cccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158204372 801593201 /nfs/dbraw/zinc/59/32/01/801593201.db2.gz ZHOVJNXHTVIEEK-SNVBAGLBSA-N 2 2 261.329 0.195 20 0 CCADLP CCN(CC)c1cc(N2C[C@H]([NH3+])C3(COC3)C2)nc[nH+]1 ZINC001158766229 801703209 /nfs/dbraw/zinc/70/32/09/801703209.db2.gz VUHGBAVXMXRQAV-NSHDSACASA-N 2 2 277.372 0.487 20 0 CCADLP [NH3+][C@@H]1CN(c2cccc(N3CCOCC3)[nH+]2)CC12COC2 ZINC001158766108 801703781 /nfs/dbraw/zinc/70/37/81/801703781.db2.gz RVHRLOGBZHUJTF-GFCCVEGCSA-N 2 2 290.367 0.082 20 0 CCADLP C[NH+]1CC2(CN(c3[nH+]ccc4c3NC(=O)CO4)C2)C1 ZINC001158865974 801716528 /nfs/dbraw/zinc/71/65/28/801716528.db2.gz ISEAFHHQQOKOMD-UHFFFAOYSA-N 2 2 260.297 0.164 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCCC[NH2+]CCn1cccn1 ZINC001159537155 801831736 /nfs/dbraw/zinc/83/17/36/801831736.db2.gz MMMNRKOZNXPDAP-UHFFFAOYSA-N 2 2 290.371 0.335 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCCC[NH2+]CCn1cccn1 ZINC001159537155 801831740 /nfs/dbraw/zinc/83/17/40/801831740.db2.gz MMMNRKOZNXPDAP-UHFFFAOYSA-N 2 2 290.371 0.335 20 0 CCADLP COC(=O)[C@@H]([NH3+])CC(=O)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001160460899 801944429 /nfs/dbraw/zinc/94/44/29/801944429.db2.gz GWWGFEMYTLOANN-OLZOCXBDSA-N 2 2 297.399 0.354 20 0 CCADLP CC(C)C[C@H](C(=O)NCCC[NH2+]CCCO)n1cc[nH+]c1 ZINC001160534808 801963964 /nfs/dbraw/zinc/96/39/64/801963964.db2.gz OYFDMNBXYQTLKZ-CQSZACIVSA-N 2 2 296.415 0.949 20 0 CCADLP C[S@@](=O)CC[C@H]([NH3+])C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001160576710 801974425 /nfs/dbraw/zinc/97/44/25/801974425.db2.gz ALGLHXFQNHUECY-JEOXALJRSA-N 2 2 289.445 0.025 20 0 CCADLP CN(C[C@H]1CC1(C)C)C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001160712501 802008784 /nfs/dbraw/zinc/00/87/84/802008784.db2.gz YLFNVWVJWFYHOE-WHOHXGKFSA-N 2 2 251.374 0.441 20 0 CCADLP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001160726163 802012583 /nfs/dbraw/zinc/01/25/83/802012583.db2.gz KANLTYPOJNPDBL-LBPRGKRZSA-N 3 2 297.428 0.066 20 0 CCADLP c1nc(N[C@H]2CCC[C@@H]2[NH+]2CCOCC2)nc2c1C[NH2+]C2 ZINC001160724840 802012793 /nfs/dbraw/zinc/01/27/93/802012793.db2.gz REMBXGPODJDUQR-JSGCOSHPSA-N 2 2 289.383 0.745 20 0 CCADLP O=C(C1CC2(C[NH2+]C2)C1)N1CCc2[nH+]ccn2CC1 ZINC001160760803 802017459 /nfs/dbraw/zinc/01/74/59/802017459.db2.gz SYTVBSWSBVEQQL-UHFFFAOYSA-N 2 2 260.341 0.267 20 0 CCADLP O=C([C@@H]1C[C@@H](F)CC[NH2+]1)N1CCc2[nH+]ccn2CC1 ZINC001160761026 802017693 /nfs/dbraw/zinc/01/76/93/802017693.db2.gz UIIKKKVXPHNUHZ-QWRGUYRKSA-N 2 2 266.320 0.358 20 0 CCADLP CN(CC/C=C/c1cccnc1)C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001160928951 802047677 /nfs/dbraw/zinc/04/76/77/802047677.db2.gz MQYWMRKXDBOEGI-YFHFXYRASA-N 2 2 274.368 0.490 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)C1CCC(C[NH3+])CC1 ZINC001161238016 802113394 /nfs/dbraw/zinc/11/33/94/802113394.db2.gz QDUPGABJPCRTPR-BPCQOVAHSA-N 2 2 297.399 0.067 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)C1CCC(C[NH3+])CC1 ZINC001161238016 802113396 /nfs/dbraw/zinc/11/33/96/802113396.db2.gz QDUPGABJPCRTPR-BPCQOVAHSA-N 2 2 297.399 0.067 20 0 CCADLP COCC[NH2+]CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001161310842 802123666 /nfs/dbraw/zinc/12/36/66/802123666.db2.gz ZTJDQLJLZUSZOR-GFCCVEGCSA-N 2 2 280.372 0.188 20 0 CCADLP COC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001161310808 802124308 /nfs/dbraw/zinc/12/43/08/802124308.db2.gz YTSADSIYARGKPY-QWHCGFSZSA-N 2 2 294.399 0.576 20 0 CCADLP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161379445 802141514 /nfs/dbraw/zinc/14/15/14/802141514.db2.gz PRFNLSCTZXHUKV-GJZGRUSLSA-N 3 2 296.459 0.645 20 0 CCADLP [NH3+]C1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CCCC[NH2+]3)C2)CC1 ZINC001161379446 802141670 /nfs/dbraw/zinc/14/16/70/802141670.db2.gz PUMLAYCYUQGHHE-KBPBESRZSA-N 3 2 280.416 0.153 20 0 CCADLP [NH3+]Cc1ncc(C(=O)N2CC[NH2+]C3(CC3)C2)s1 ZINC001161553165 802179049 /nfs/dbraw/zinc/17/90/49/802179049.db2.gz ZKTPOUZPNGCEBO-UHFFFAOYSA-N 2 2 252.343 0.180 20 0 CCADLP c1nnc(CCNc2ccc(N3CC[NH2+]CC3)c[nH+]2)s1 ZINC001161732243 802209954 /nfs/dbraw/zinc/20/99/54/802209954.db2.gz QHWHIXRHSKVEOL-UHFFFAOYSA-N 2 2 290.396 0.997 20 0 CCADLP [NH3+]Cc1ccc(S(=O)(=O)Nc2cc(C[NH3+])ccn2)cc1 ZINC001161746866 802213607 /nfs/dbraw/zinc/21/36/07/802213607.db2.gz NQNFBBPLKRCHSZ-UHFFFAOYSA-N 2 2 292.364 0.800 20 0 CCADLP C[n+]1cccc(NS(=O)(=O)c2ccc(C[NH3+])cc2)c1 ZINC001161751953 802215855 /nfs/dbraw/zinc/21/58/55/802215855.db2.gz NOWGCLXWMKELJC-UHFFFAOYSA-N 2 2 278.357 0.771 20 0 CCADLP C[C@@H](C(=O)NCCCC[NH+]1CCN(C)CC1)n1cc[nH+]c1 ZINC000056974236 802223588 /nfs/dbraw/zinc/22/35/88/802223588.db2.gz FNQWKBWODSDANI-AWEZNQCLSA-N 2 2 293.415 0.588 20 0 CCADLP COC(=O)c1cnc(NCC[NH+]2CCC([NH3+])CC2)c(F)c1 ZINC001161867036 802234121 /nfs/dbraw/zinc/23/41/21/802234121.db2.gz BOVGJAGKUVGANB-UHFFFAOYSA-N 2 2 296.346 0.842 20 0 CCADLP Cc1nc(N(C)C)nc(NC[C@H]2C[NH2+]CC(C)(C)O2)[nH+]1 ZINC001161955752 802258612 /nfs/dbraw/zinc/25/86/12/802258612.db2.gz JQZSAHZJYIZJGR-SNVBAGLBSA-N 2 2 280.376 0.425 20 0 CCADLP CCCC[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)C(N)=O ZINC001162282625 802300542 /nfs/dbraw/zinc/30/05/42/802300542.db2.gz ZKOIUSZWVNXXFV-ZDUSSCGKSA-N 2 2 291.399 0.947 20 0 CCADLP Fc1c[nH+]ccc1NCc1nnc2n1CCC[NH2+]C2 ZINC001163017583 802460143 /nfs/dbraw/zinc/46/01/43/802460143.db2.gz LHXZWBJHJLUFRT-UHFFFAOYSA-N 2 2 262.292 0.340 20 0 CCADLP COCCOc1cc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)cc[nH+]1 ZINC001163147453 802494806 /nfs/dbraw/zinc/49/48/06/802494806.db2.gz VNTIUYLGWMPXBU-JHJVBQTASA-N 2 2 279.340 0.506 20 0 CCADLP O=C1COc2c[nH+]c(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)cc2N1 ZINC001163261019 802524003 /nfs/dbraw/zinc/52/40/03/802524003.db2.gz DZWZKLGKNMGXED-UTLUCORTSA-N 2 2 274.324 0.822 20 0 CCADLP CN(CCC[NH+](C)C)c1cc(N2CCOCC2)nc[nH+]1 ZINC001163595094 802575052 /nfs/dbraw/zinc/57/50/52/802575052.db2.gz AWNFQHRVKLBPPU-UHFFFAOYSA-N 2 2 279.388 0.701 20 0 CCADLP CN(CCC[NH+](C)C)c1cc(N2CCOCC2)[nH+]cn1 ZINC001163595094 802575054 /nfs/dbraw/zinc/57/50/54/802575054.db2.gz AWNFQHRVKLBPPU-UHFFFAOYSA-N 2 2 279.388 0.701 20 0 CCADLP CN(C)c1ccnc(NCC2([NH+](C)C)CC[NH+](C)CC2)n1 ZINC001164206983 802688440 /nfs/dbraw/zinc/68/84/40/802688440.db2.gz OIZUNSCPDAQITK-UHFFFAOYSA-N 2 2 292.431 0.981 20 0 CCADLP CC1(C)C[N@@H+](C2CN(c3cc(N)cc[nH+]3)C2)CCO1 ZINC001165128194 802786369 /nfs/dbraw/zinc/78/63/69/802786369.db2.gz MHTXRDXASYZUJS-UHFFFAOYSA-N 2 2 262.357 0.963 20 0 CCADLP CC1(C)C[N@H+](C2CN(c3cc(N)cc[nH+]3)C2)CCO1 ZINC001165128194 802786373 /nfs/dbraw/zinc/78/63/73/802786373.db2.gz MHTXRDXASYZUJS-UHFFFAOYSA-N 2 2 262.357 0.963 20 0 CCADLP C[NH+]1CCN(c2cccc(N3CC[C@@](C)(O)C3)[nH+]2)CC1 ZINC001165230395 802800580 /nfs/dbraw/zinc/80/05/80/802800580.db2.gz YKWRPHCSLYWUBC-OAHLLOKOSA-N 2 2 276.384 0.795 20 0 CCADLP [NH3+][C@]12C[C@H]1CN(c1cc(N3CCSCC3)[nH+]cn1)C2 ZINC001165317128 802822019 /nfs/dbraw/zinc/82/20/19/802822019.db2.gz XLQXNEMJFZGBFM-GWCFXTLKSA-N 2 2 277.397 0.567 20 0 CCADLP Cc1[nH+]c2c(n1-c1ncnc3ncn(C)c31)CC[NH2+]CC2 ZINC001165351389 802826181 /nfs/dbraw/zinc/82/61/81/802826181.db2.gz COGXLNJEGLNQLA-UHFFFAOYSA-N 2 2 283.339 0.546 20 0 CCADLP COc1cc(-n2c(C)[nH+]c3c2CC[NH2+]CC3)nc(OC)n1 ZINC001165351760 802826422 /nfs/dbraw/zinc/82/64/22/802826422.db2.gz IMCLEDULXQABGE-UHFFFAOYSA-N 2 2 289.339 0.676 20 0 CCADLP CCCc1nc(C[NH2+]CCCNC(=O)CC[NH+](C)C)no1 ZINC001165794002 802866933 /nfs/dbraw/zinc/86/69/33/802866933.db2.gz GTYVXKDKKNMGIE-UHFFFAOYSA-N 2 2 297.403 0.570 20 0 CCADLP C[C@@H]1NC=C2C(=O)OCCC2=C1C[NH+]1CC(C)(C[NH3+])C1 ZINC001206711064 802874269 /nfs/dbraw/zinc/87/42/69/802874269.db2.gz DVHNBBBMDSLDOF-JTQLQIEISA-N 2 2 277.368 0.386 20 0 CCADLP CN1CC[C@@H](Nc2[nH+]cccc2N2CC[NH2+]CC2)C1=O ZINC001166655912 802932003 /nfs/dbraw/zinc/93/20/03/802932003.db2.gz NVCIODCHPMKIFA-LLVKDONJSA-N 2 2 275.356 0.134 20 0 CCADLP CCc1cc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)on1 ZINC001205665434 803153093 /nfs/dbraw/zinc/15/30/93/803153093.db2.gz RGRIXLGMZHCRDG-CYBMUJFWSA-N 2 2 253.346 0.913 20 0 CCADLP CCc1cc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)on1 ZINC001205665434 803153097 /nfs/dbraw/zinc/15/30/97/803153097.db2.gz RGRIXLGMZHCRDG-CYBMUJFWSA-N 2 2 253.346 0.913 20 0 CCADLP C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@](O)(C[NH3+])C2)C1 ZINC001205665461 803153255 /nfs/dbraw/zinc/15/32/55/803153255.db2.gz RMUDTGCCWRKVMJ-KBPBESRZSA-N 3 2 255.406 0.504 20 0 CCADLP C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@](O)(C[NH3+])C2)C1 ZINC001205665461 803153259 /nfs/dbraw/zinc/15/32/59/803153259.db2.gz RMUDTGCCWRKVMJ-KBPBESRZSA-N 3 2 255.406 0.504 20 0 CCADLP C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)C1 ZINC001205665461 803153264 /nfs/dbraw/zinc/15/32/64/803153264.db2.gz RMUDTGCCWRKVMJ-KBPBESRZSA-N 3 2 255.406 0.504 20 0 CCADLP C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@](O)(C[NH3+])C2)C1 ZINC001205665461 803153268 /nfs/dbraw/zinc/15/32/68/803153268.db2.gz RMUDTGCCWRKVMJ-KBPBESRZSA-N 3 2 255.406 0.504 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2cnc3c(c2)OCCO3)C1 ZINC001205681979 803154178 /nfs/dbraw/zinc/15/41/78/803154178.db2.gz PPDWTBWAENSZGJ-HNNXBMFYSA-N 2 2 293.367 0.529 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2cnc3c(c2)OCCO3)C1 ZINC001205681979 803154183 /nfs/dbraw/zinc/15/41/83/803154183.db2.gz PPDWTBWAENSZGJ-HNNXBMFYSA-N 2 2 293.367 0.529 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2ccncc2F)C1 ZINC001205673829 803155095 /nfs/dbraw/zinc/15/50/95/803155095.db2.gz UOANQNXTFWMVPS-ZDUSSCGKSA-N 2 2 253.321 0.896 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccncc2F)C1 ZINC001205673829 803155098 /nfs/dbraw/zinc/15/50/98/803155098.db2.gz UOANQNXTFWMVPS-ZDUSSCGKSA-N 2 2 253.321 0.896 20 0 CCADLP CC(C)(CN1C[C@@H]([NH3+])CC(F)(F)C1)[NH+]1CCOCC1 ZINC001206117395 803208743 /nfs/dbraw/zinc/20/87/43/803208743.db2.gz NEZTUAXKQOPESL-NSHDSACASA-N 2 2 277.359 0.766 20 0 CCADLP N[C@]1(C(F)(F)F)CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC001206209505 803215575 /nfs/dbraw/zinc/21/55/75/803215575.db2.gz GAVJIMQSZMXZKS-NXEZZACHSA-N 2 2 251.296 0.952 20 0 CCADLP N[C@]1(C(F)(F)F)CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC001206209505 803215581 /nfs/dbraw/zinc/21/55/81/803215581.db2.gz GAVJIMQSZMXZKS-NXEZZACHSA-N 2 2 251.296 0.952 20 0 CCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(OC)c1OC ZINC001206465143 803247448 /nfs/dbraw/zinc/24/74/48/803247448.db2.gz XAIOFOUVRHLWRK-NWDGAFQWSA-N 2 2 296.367 0.464 20 0 CCADLP COc1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(OC)c1OC ZINC001206465143 803247453 /nfs/dbraw/zinc/24/74/53/803247453.db2.gz XAIOFOUVRHLWRK-NWDGAFQWSA-N 2 2 296.367 0.464 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2cccc(N3CCCCC3)n2)C[C@@H]1O ZINC001206534717 803263044 /nfs/dbraw/zinc/26/30/44/803263044.db2.gz AUAVLLXZGRJZKC-ZFWWWQNUSA-N 2 2 290.411 0.823 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(N3CCCCC3)n2)C[C@@H]1O ZINC001206534717 803263046 /nfs/dbraw/zinc/26/30/46/803263046.db2.gz AUAVLLXZGRJZKC-ZFWWWQNUSA-N 2 2 290.411 0.823 20 0 CCADLP CC1(C[NH3+])C[NH+](Cc2cccc(N3CC[NH2+]CC3)c2)C1 ZINC001206723206 803281626 /nfs/dbraw/zinc/28/16/26/803281626.db2.gz LSXNKNZCLZDGDV-UHFFFAOYSA-N 3 2 274.412 0.877 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001208300274 803502696 /nfs/dbraw/zinc/50/26/96/803502696.db2.gz XROCATSGOLEOPZ-OCCSQVGLSA-N 2 2 294.399 0.958 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001208300274 803502697 /nfs/dbraw/zinc/50/26/97/803502697.db2.gz XROCATSGOLEOPZ-OCCSQVGLSA-N 2 2 294.399 0.958 20 0 CCADLP CCOCC[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001208300240 803502983 /nfs/dbraw/zinc/50/29/83/803502983.db2.gz XMKQJKJAHHGGGT-CQSZACIVSA-N 2 2 294.399 0.959 20 0 CCADLP CCOCC[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001208300240 803502988 /nfs/dbraw/zinc/50/29/88/803502988.db2.gz XMKQJKJAHHGGGT-CQSZACIVSA-N 2 2 294.399 0.959 20 0 CCADLP Cc1nc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C2)co1 ZINC001208494061 803518680 /nfs/dbraw/zinc/51/86/80/803518680.db2.gz CVXAUVIHVHNMJL-BXUZGUMPSA-N 2 2 294.399 0.871 20 0 CCADLP Cc1nc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C2)co1 ZINC001208494061 803518683 /nfs/dbraw/zinc/51/86/83/803518683.db2.gz CVXAUVIHVHNMJL-BXUZGUMPSA-N 2 2 294.399 0.871 20 0 CCADLP C[C@@]1(CO)CC[N@H+](Cc2c[nH+]ccc2N)C[C@@H]1O ZINC001209730168 803625842 /nfs/dbraw/zinc/62/58/42/803625842.db2.gz UNJDYEHITRKTSC-STQMWFEESA-N 2 2 251.330 0.059 20 0 CCADLP C[C@@]1(CO)CC[N@@H+](Cc2c[nH+]ccc2N)C[C@@H]1O ZINC001209730168 803625845 /nfs/dbraw/zinc/62/58/45/803625845.db2.gz UNJDYEHITRKTSC-STQMWFEESA-N 2 2 251.330 0.059 20 0 CCADLP CC(=O)N1CCC[C@H]([N@H+](C)Cc2c[nH+]ccc2N)C1 ZINC001209731535 803626015 /nfs/dbraw/zinc/62/60/15/803626015.db2.gz DEDFHWBQTOOBQE-ZDUSSCGKSA-N 2 2 262.357 0.937 20 0 CCADLP CC(=O)N1CCC[C@H]([N@@H+](C)Cc2c[nH+]ccc2N)C1 ZINC001209731535 803626017 /nfs/dbraw/zinc/62/60/17/803626017.db2.gz DEDFHWBQTOOBQE-ZDUSSCGKSA-N 2 2 262.357 0.937 20 0 CCADLP COCC[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209836539 803631890 /nfs/dbraw/zinc/63/18/90/803631890.db2.gz LHQPXHXIHBPZAP-NSHDSACASA-N 2 2 266.345 0.179 20 0 CCADLP COCC[NH2+][C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001210305017 803646471 /nfs/dbraw/zinc/64/64/71/803646471.db2.gz RQPXEWBTYCRLRD-NSHDSACASA-N 2 2 266.345 0.179 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]([NH2+]CCCF)C1 ZINC001210302334 803647059 /nfs/dbraw/zinc/64/70/59/803647059.db2.gz AHLNDZOVNFEHEV-NSHDSACASA-N 2 2 268.336 0.892 20 0 CCADLP C[C@@H](O)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001211451619 803682286 /nfs/dbraw/zinc/68/22/86/803682286.db2.gz CNHGFXCMHLQIQS-MGPQQGTHSA-N 2 2 294.399 0.481 20 0 CCADLP C[C@@H](O)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001211451619 803682291 /nfs/dbraw/zinc/68/22/91/803682291.db2.gz CNHGFXCMHLQIQS-MGPQQGTHSA-N 2 2 294.399 0.481 20 0 CCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCF)C[C@H]1OC ZINC001213763443 803703047 /nfs/dbraw/zinc/70/30/47/803703047.db2.gz RBHYRCOITFEGCQ-CHWSQXEVSA-N 2 2 289.395 0.503 20 0 CCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCF)C[C@H]1OC ZINC001213763443 803703051 /nfs/dbraw/zinc/70/30/51/803703051.db2.gz RBHYRCOITFEGCQ-CHWSQXEVSA-N 2 2 289.395 0.503 20 0 CCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1OC ZINC001213763443 803703054 /nfs/dbraw/zinc/70/30/54/803703054.db2.gz RBHYRCOITFEGCQ-CHWSQXEVSA-N 2 2 289.395 0.503 20 0 CCADLP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1OC ZINC001213763443 803703056 /nfs/dbraw/zinc/70/30/56/803703056.db2.gz RBHYRCOITFEGCQ-CHWSQXEVSA-N 2 2 289.395 0.503 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1[NH2+]CCCO ZINC001215200464 803782941 /nfs/dbraw/zinc/78/29/41/803782941.db2.gz XFEVZGHLPJUJKO-CHWSQXEVSA-N 2 2 294.399 0.172 20 0 CCADLP COCCCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001216065894 803833668 /nfs/dbraw/zinc/83/36/68/803833668.db2.gz VOXYPDKANCIYNC-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP FC1(F)C[NH2+]C[C@H](OC[C@@H]2C[C@@H]3CC[NH2+]C[C@@H]3O2)C1 ZINC001217856381 803921269 /nfs/dbraw/zinc/92/12/69/803921269.db2.gz PHCQDOMMKUMJKC-YFKTTZPYSA-N 2 2 276.327 0.767 20 0 CCADLP CC[NH+]1CC(Oc2ccc(C[C@H]([NH3+])C(N)=O)cc2)C1 ZINC001217967559 803927099 /nfs/dbraw/zinc/92/70/99/803927099.db2.gz BMZCIWUDGUEBPS-ZDUSSCGKSA-N 2 2 263.341 0.125 20 0 CCADLP COc1nc(Cl)cc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)n1 ZINC001218516581 803980563 /nfs/dbraw/zinc/98/05/63/803980563.db2.gz AIDWWSBMPAIZPV-ZETCQYMHSA-N 2 2 296.718 0.370 20 0 CCADLP Cc1cc(O)cnc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001218519045 803982852 /nfs/dbraw/zinc/98/28/52/803982852.db2.gz UDGFFRNZPZYBRB-NSHDSACASA-N 2 2 275.312 0.338 20 0 CCADLP CCOc1ncc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)cc1F ZINC001218600420 804029230 /nfs/dbraw/zinc/02/92/30/804029230.db2.gz LPQVGNCRECOAFR-NSHDSACASA-N 2 2 293.302 0.851 20 0 CCADLP Cn1cc(NC(=O)[C@@H]([NH3+])CC[NH3+])c(C(F)(F)F)n1 ZINC001218597961 804029272 /nfs/dbraw/zinc/02/92/72/804029272.db2.gz BAADUNNDZDURGE-YFKPBYRVSA-N 2 2 265.239 0.054 20 0 CCADLP COC(=O)c1scnc1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218623160 804038594 /nfs/dbraw/zinc/03/85/94/804038594.db2.gz AVPJBFIHTWJGRK-QHMRUWFYSA-N 2 2 296.352 0.090 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1c[nH]c2cccnc12 ZINC001218639621 804053041 /nfs/dbraw/zinc/05/30/41/804053041.db2.gz DZPXNMTYBIUTBR-UHFFFAOYSA-N 2 2 273.340 0.843 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1nsc2ncccc12 ZINC001218651492 804060369 /nfs/dbraw/zinc/06/03/69/804060369.db2.gz MNRRPHASZSRHKF-YUMQZZPRSA-N 2 2 263.326 0.177 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1cnc2ccccc2n1 ZINC001218653596 804065103 /nfs/dbraw/zinc/06/51/03/804065103.db2.gz UXEVHDOYNBFRPC-UHFFFAOYSA-N 2 2 285.351 0.910 20 0 CCADLP Cc1c(NC(=O)C[NH2+]C2CC[NH2+]CC2)ncn1C ZINC001218693859 804081786 /nfs/dbraw/zinc/08/17/86/804081786.db2.gz VKQKWCQDSJJRQH-UHFFFAOYSA-N 2 2 251.334 0.009 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cnc(-c2ccc(O)cc2)nc1 ZINC001218703517 804089110 /nfs/dbraw/zinc/08/91/10/804089110.db2.gz YOFCMOHXVZXVGD-LBPRGKRZSA-N 2 2 287.323 0.464 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1cc([C@@H]2CCC[NH2+]2)no1 ZINC001218712604 804091426 /nfs/dbraw/zinc/09/14/26/804091426.db2.gz YZUZIXRSOVRAPW-NSHDSACASA-N 3 2 293.371 0.379 20 0 CCADLP Cc1cc(NC(=O)[C@@H]([NH3+])CC[NH3+])cnc1OC(C)C ZINC001218759945 804112663 /nfs/dbraw/zinc/11/26/63/804112663.db2.gz NBTQIOYWCBWSPD-NSHDSACASA-N 2 2 266.345 0.792 20 0 CCADLP CCc1ncsc1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218802172 804126373 /nfs/dbraw/zinc/12/63/73/804126373.db2.gz XXVRIVXWRLPXTI-GMEUVTARSA-N 2 2 266.370 0.866 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cccc2nsnc21 ZINC001218807567 804127729 /nfs/dbraw/zinc/12/77/29/804127729.db2.gz CNUYPRLETGYXJS-LURJTMIESA-N 2 2 251.315 0.306 20 0 CCADLP O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1[NH2+]CC[C@H]1O ZINC001218848240 804139360 /nfs/dbraw/zinc/13/93/60/804139360.db2.gz POKPUHGUMBLGFG-KGLIPLIRSA-N 2 2 286.335 0.593 20 0 CCADLP Cn1cc2cccc(NC(=O)C[NH2+]C3CC[NH2+]CC3)c2n1 ZINC001218888834 804149478 /nfs/dbraw/zinc/14/94/78/804149478.db2.gz KETCTVYOROFHED-UHFFFAOYSA-N 2 2 287.367 0.853 20 0 CCADLP Nc1ccc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)c(CCO)c1 ZINC001218918509 804157702 /nfs/dbraw/zinc/15/77/02/804157702.db2.gz HTYXWXDNVCJKCT-GFCCVEGCSA-N 2 2 289.339 0.035 20 0 CCADLP Cc1c(NC(=O)C2([NH3+])CC[NH2+]CC2)ccc2c1OCCO2 ZINC001219498554 804330738 /nfs/dbraw/zinc/33/07/38/804330738.db2.gz ZPRFOGLIUWIRPZ-UHFFFAOYSA-N 2 2 291.351 0.786 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc(-n2ccc(=O)[nH]2)cc1 ZINC001219550051 804343331 /nfs/dbraw/zinc/34/33/31/804343331.db2.gz LQRYGZPFXBHOPF-NSHDSACASA-N 2 2 275.312 0.193 20 0 CCADLP Cn1ccc2cc(CNC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)ccc21 ZINC001219597123 804366337 /nfs/dbraw/zinc/36/63/37/804366337.db2.gz BZGUODHHMLHSGX-OLZOCXBDSA-N 2 2 272.352 0.484 20 0 CCADLP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001219637656 804386381 /nfs/dbraw/zinc/38/63/81/804386381.db2.gz GCHDHJGKCLZUMQ-RYUDHWBXSA-N 2 2 250.346 0.635 20 0 CCADLP C[C@H]1C[NH2+]C[C@H](CNC(=O)CCc2ccc(N)[nH+]c2)C1 ZINC001219650338 804392634 /nfs/dbraw/zinc/39/26/34/804392634.db2.gz OCCAHGGOINGCMG-DGCLKSJQSA-N 2 2 276.384 0.958 20 0 CCADLP C[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)c1cnc2ccccn21 ZINC001219700865 804408245 /nfs/dbraw/zinc/40/82/45/804408245.db2.gz GZFUOHQZSLSROY-HSMVNMDESA-N 2 2 299.378 0.463 20 0 CCADLP Cn1c(CNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc2ccccc21 ZINC001219936389 804452094 /nfs/dbraw/zinc/45/20/94/804452094.db2.gz CCCUMVYUQWWFTK-YPMHNXCESA-N 2 2 272.352 0.484 20 0 CCADLP Cc1c[nH]c(CCNC(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)[nH+]1 ZINC001219951824 804456569 /nfs/dbraw/zinc/45/65/69/804456569.db2.gz CWECTBAEEMHJEW-SDDRHHMPSA-N 2 2 278.356 0.144 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]1C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC001220185586 804530604 /nfs/dbraw/zinc/53/06/04/804530604.db2.gz IGBKSCGFEMMXLR-OPRDCNLKSA-N 2 2 261.316 0.475 20 0 CCADLP CC1(C)C[C@H](NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CCO1 ZINC001220219266 804541139 /nfs/dbraw/zinc/54/11/39/804541139.db2.gz VXIYTGUVEAIRSG-WHOHXGKFSA-N 2 2 267.373 0.010 20 0 CCADLP Cc1ccc([C@@H](C)NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)nc1 ZINC001220266611 804555332 /nfs/dbraw/zinc/55/53/32/804555332.db2.gz SYIFNRWBDJDBDM-PWSUYJOCSA-N 2 2 273.340 0.860 20 0 CCADLP [NH3+]C1(C(=O)NCCc2cn3ccccc3n2)CC[NH2+]CC1 ZINC001220278205 804559521 /nfs/dbraw/zinc/55/95/21/804559521.db2.gz HJYKOFVUTMQBMQ-UHFFFAOYSA-N 2 2 287.367 0.074 20 0 CCADLP C[C@@H](NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)c1cnccn1 ZINC001220370745 804584048 /nfs/dbraw/zinc/58/40/48/804584048.db2.gz BWCHKGWTFGHCCX-MFKMUULPSA-N 2 2 285.351 0.926 20 0 CCADLP O=C(NCCc1c[nH]c2cccnc12)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220384059 804591001 /nfs/dbraw/zinc/59/10/01/804591001.db2.gz IJCQPTKEYOAXDG-LRDDRELGSA-N 2 2 299.378 0.173 20 0 CCADLP O=C(NCC(F)(F)c1ccccn1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220569371 804626100 /nfs/dbraw/zinc/62/61/00/804626100.db2.gz JZEJSCPXLFDWIL-MFKMUULPSA-N 2 2 296.321 0.241 20 0 CCADLP [NH3+]C1(C(=O)N[C@@H]2CCc3ccc(O)cc3C2)CC[NH2+]CC1 ZINC001220593142 804634659 /nfs/dbraw/zinc/63/46/59/804634659.db2.gz YPOAKNMPEZHDCC-CYBMUJFWSA-N 2 2 289.379 0.447 20 0 CCADLP C[C@@H](CNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)CC(C)(C)CC[NH3+] ZINC001220763933 804661719 /nfs/dbraw/zinc/66/17/19/804661719.db2.gz SXWUCFXPGNUQEX-JXFSHQFZSA-N 3 2 296.459 0.726 20 0 CCADLP OC[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1O ZINC000316047254 804667443 /nfs/dbraw/zinc/66/74/43/804667443.db2.gz DVHNMCMDCCEUTI-DZGCQCFKSA-N 2 2 273.336 0.657 20 0 CCADLP OC[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1O ZINC000316047254 804667447 /nfs/dbraw/zinc/66/74/47/804667447.db2.gz DVHNMCMDCCEUTI-DZGCQCFKSA-N 2 2 273.336 0.657 20 0 CCADLP CCOC(=O)[C@H](C)CNC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220848733 804680350 /nfs/dbraw/zinc/68/03/50/804680350.db2.gz HBVFADRVPVRMQP-ZWNOBZJWSA-N 2 2 293.367 0.574 20 0 CCADLP CCCCC[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001220852442 804681786 /nfs/dbraw/zinc/68/17/86/804681786.db2.gz KAGAWNRIYPQSOT-KGLIPLIRSA-N 2 2 294.399 0.612 20 0 CCADLP CCCCC[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001220852442 804681791 /nfs/dbraw/zinc/68/17/91/804681791.db2.gz KAGAWNRIYPQSOT-KGLIPLIRSA-N 2 2 294.399 0.612 20 0 CCADLP O=C(NCc1cc2ccncc2[nH]1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220868625 804685561 /nfs/dbraw/zinc/68/55/61/804685561.db2.gz MNDIAUWLKGBPMU-IAQYHMDHSA-N 2 2 285.351 0.131 20 0 CCADLP O=C(NCC1(CC2CCC2)CC[NH2+]CC1)C1(F)C[NH2+]C1 ZINC001221128291 804733015 /nfs/dbraw/zinc/73/30/15/804733015.db2.gz LTXLEENPODREEB-UHFFFAOYSA-N 2 2 283.391 0.974 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc2c(c1)CC(=O)N2 ZINC001221298594 804770944 /nfs/dbraw/zinc/77/09/44/804770944.db2.gz UZWJHCBOGLORRH-GFCCVEGCSA-N 2 2 299.334 0.091 20 0 CCADLP Cc1ncsc1CCNC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001221330890 804778877 /nfs/dbraw/zinc/77/88/77/804778877.db2.gz XYDDUELEFILUMI-SNVBAGLBSA-N 2 2 279.369 0.403 20 0 CCADLP C[C@]1(C(=O)N[C@H](C2CCC2)C2C[NH2+]C2)CC(F)(F)C[NH2+]1 ZINC001221407223 804807193 /nfs/dbraw/zinc/80/71/93/804807193.db2.gz BJWHEUPKNBDHGQ-DGCLKSJQSA-N 2 2 287.354 0.878 20 0 CCADLP COc1ncc(CN2CC[NH2+]C3(CC[NH2+]CC3)C2)cn1 ZINC001222085612 804863494 /nfs/dbraw/zinc/86/34/94/804863494.db2.gz FFSYSROYPPGUPP-UHFFFAOYSA-N 2 2 277.372 0.013 20 0 CCADLP Nc1ccc(Cl)nc1CN1CC[NH2+]C2(CC[NH2+]CC2)C1 ZINC001222095470 804868108 /nfs/dbraw/zinc/86/81/08/804868108.db2.gz ULFHQTUNESZZQV-UHFFFAOYSA-N 2 2 295.818 0.845 20 0 CCADLP O=c1ccc(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c[nH]1 ZINC001222492126 804906013 /nfs/dbraw/zinc/90/60/13/804906013.db2.gz PAAWHSZVEWIQNJ-STQMWFEESA-N 2 2 262.357 0.313 20 0 CCADLP O=c1ccc(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c[nH]1 ZINC001222492126 804906016 /nfs/dbraw/zinc/90/60/16/804906016.db2.gz PAAWHSZVEWIQNJ-STQMWFEESA-N 2 2 262.357 0.313 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1CCF ZINC001088658205 815051259 /nfs/dbraw/zinc/05/12/59/815051259.db2.gz NQVLRVDPHYYPNQ-FVCCEPFGSA-N 2 2 287.379 0.254 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1CCF ZINC001088658205 815051262 /nfs/dbraw/zinc/05/12/62/815051262.db2.gz NQVLRVDPHYYPNQ-FVCCEPFGSA-N 2 2 287.379 0.254 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1CCF ZINC001088658205 815051267 /nfs/dbraw/zinc/05/12/67/815051267.db2.gz NQVLRVDPHYYPNQ-FVCCEPFGSA-N 2 2 287.379 0.254 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1CCF ZINC001088658205 815051269 /nfs/dbraw/zinc/05/12/69/815051269.db2.gz NQVLRVDPHYYPNQ-FVCCEPFGSA-N 2 2 287.379 0.254 20 0 CCADLP C[C@H](CC(=O)N[C@H]1C[C@H](C[NH2+]CCCO)C1)n1cc[nH+]c1 ZINC001277053042 805139259 /nfs/dbraw/zinc/13/92/59/805139259.db2.gz AFWSEZDSSUEODQ-MGPQQGTHSA-N 2 2 294.399 0.701 20 0 CCADLP C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001225961458 805181224 /nfs/dbraw/zinc/18/12/24/805181224.db2.gz NVSNFFIXNOULCG-YNEHKIRRSA-N 2 2 294.399 0.740 20 0 CCADLP OC1C[NH+](Cc2ccc(-c3ncc4c(n3)CC[NH2+]C4)cc2)C1 ZINC001243637990 807040655 /nfs/dbraw/zinc/04/06/55/807040655.db2.gz XZRLZBACBFBUFZ-UHFFFAOYSA-N 2 2 296.374 0.966 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1CCC[NH2+]C1)COc1ccccc1 ZINC001246012450 807116239 /nfs/dbraw/zinc/11/62/39/807116239.db2.gz ZTXQYVRXTHTDBW-OLZOCXBDSA-N 2 2 250.342 0.768 20 0 CCADLP CC(C)[NH+]1CC(Nc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC001168315439 815091887 /nfs/dbraw/zinc/09/18/87/815091887.db2.gz ORIWMZLRWKPQHH-UHFFFAOYSA-N 2 2 290.415 0.733 20 0 CCADLP N[C@]1(C(F)(F)F)CC[N@H+](C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001246032731 807127501 /nfs/dbraw/zinc/12/75/01/807127501.db2.gz SQVBTIZZNAFSIW-NXEZZACHSA-N 2 2 267.295 0.066 20 0 CCADLP N[C@]1(C(F)(F)F)CC[N@@H+](C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001246032731 807127505 /nfs/dbraw/zinc/12/75/05/807127505.db2.gz SQVBTIZZNAFSIW-NXEZZACHSA-N 2 2 267.295 0.066 20 0 CCADLP CC[C@H]([NH3+])C[N@H+](C)C[C@@H](O)COCC(F)(F)C(F)F ZINC001246065784 807138745 /nfs/dbraw/zinc/13/87/45/807138745.db2.gz JFIQHHQYXMNHBR-DTWKUNHWSA-N 2 2 290.301 0.933 20 0 CCADLP CC[C@H]([NH3+])C[N@@H+](C)C[C@@H](O)COCC(F)(F)C(F)F ZINC001246065784 807138749 /nfs/dbraw/zinc/13/87/49/807138749.db2.gz JFIQHHQYXMNHBR-DTWKUNHWSA-N 2 2 290.301 0.933 20 0 CCADLP [NH3+][C@H]1CC[N@H+](C[C@@H](O)COCC(F)(F)C(F)F)C1 ZINC001246068685 807139640 /nfs/dbraw/zinc/13/96/40/807139640.db2.gz IZKKQYOPDSOLQN-JGVFFNPUSA-N 2 2 274.258 0.297 20 0 CCADLP [NH3+][C@H]1CC[N@@H+](C[C@@H](O)COCC(F)(F)C(F)F)C1 ZINC001246068685 807139646 /nfs/dbraw/zinc/13/96/46/807139646.db2.gz IZKKQYOPDSOLQN-JGVFFNPUSA-N 2 2 274.258 0.297 20 0 CCADLP CCOC(=O)CN1CCC([NH2+][C@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001246080085 807146062 /nfs/dbraw/zinc/14/60/62/807146062.db2.gz DPUPBZFIEFUHRR-OLZOCXBDSA-N 2 2 287.379 0.304 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[NH2+]C2)CCN1 ZINC001246089592 807150381 /nfs/dbraw/zinc/15/03/81/807150381.db2.gz GTEJICQQVSVKDZ-TUAOUCFPSA-N 2 2 255.362 0.012 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C)C[NH2+]2)CCN1 ZINC001246103232 807153967 /nfs/dbraw/zinc/15/39/67/807153967.db2.gz GUSSJGNVLMLPPY-DGAVXFQQSA-N 2 2 283.416 0.648 20 0 CCADLP CC(=O)N1CCC([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001246122697 807159273 /nfs/dbraw/zinc/15/92/73/807159273.db2.gz BTUFLRBSZMGGOQ-OAHLLOKOSA-N 3 2 294.443 0.461 20 0 CCADLP CCOC(=O)[C@H]1CC[C@H]([NH2+][C@H]2CCC[NH2+]C2)CO1 ZINC001246125757 807160028 /nfs/dbraw/zinc/16/00/28/807160028.db2.gz GSPUCQJWAPZHRX-SDDRHHMPSA-N 2 2 256.346 0.439 20 0 CCADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2COC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246172542 807175103 /nfs/dbraw/zinc/17/51/03/807175103.db2.gz HRXYNYSLCWJVBO-UPJWGTAASA-N 3 2 253.390 0.628 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2COC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246172539 807175350 /nfs/dbraw/zinc/17/53/50/807175350.db2.gz HRXYNYSLCWJVBO-AGIUHOORSA-N 3 2 253.390 0.628 20 0 CCADLP CCOC(=O)[C@@H](CC(C)C)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246183172 807179481 /nfs/dbraw/zinc/17/94/81/807179481.db2.gz FIFGZQKQNWBUBZ-QWHCGFSZSA-N 2 2 283.416 0.648 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N2C[C@@H](CC[NH3+])c3ccccc32)C[NH2+]1 ZINC001246235718 807193887 /nfs/dbraw/zinc/19/38/87/807193887.db2.gz KNPPPWUJXDZSIG-BZPMIXESSA-N 2 2 289.379 0.843 20 0 CCADLP COC(=O)[C@H]1C[C@@H](NC[C@@H]2Cc3ccccc3C[NH2+]2)C[NH2+]1 ZINC001246283527 807207653 /nfs/dbraw/zinc/20/76/53/807207653.db2.gz WQVQFYAXCZJWES-RRFJBIMHSA-N 2 2 289.379 0.194 20 0 CCADLP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](C[NH2+][C@H]2CCC[NH2+]C2)O1 ZINC001246287396 807209161 /nfs/dbraw/zinc/20/91/61/807209161.db2.gz MNKXSXSAJSCBGI-LOWDOPEQSA-N 3 2 257.378 0.053 20 0 CCADLP CC(C)OC(=O)CC[C@@H](C)[NH2+][C@H]1C[NH2+]C[C@H]1CO ZINC001246306822 807216958 /nfs/dbraw/zinc/21/69/58/807216958.db2.gz LOROLCSYVCWAQW-WOPDTQHZSA-N 2 2 258.362 0.277 20 0 CCADLP C[C@H]1[NH2+]CCC[C@H]1N[C@@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246330886 807223517 /nfs/dbraw/zinc/22/35/17/807223517.db2.gz ZITICUGRGWYORZ-XQHKEYJVSA-N 2 2 283.416 0.789 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@@H](N[C@@H](C[NH3+])C(C)(C)C)C[NH2+]1 ZINC001246349113 807228703 /nfs/dbraw/zinc/22/87/03/807228703.db2.gz WQKLWKZZPGJKHM-UHIISALHSA-N 2 2 271.405 0.633 20 0 CCADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246361746 807233483 /nfs/dbraw/zinc/23/34/83/807233483.db2.gz NJPMPWVVDPVFMC-KBPBESRZSA-N 3 2 266.433 0.400 20 0 CCADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246361746 807233488 /nfs/dbraw/zinc/23/34/88/807233488.db2.gz NJPMPWVVDPVFMC-KBPBESRZSA-N 3 2 266.433 0.400 20 0 CCADLP O=C(c1ccccn1)N1CC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC001246361857 807234034 /nfs/dbraw/zinc/23/40/34/807234034.db2.gz PCQVQTFKJPNDGL-CHWSQXEVSA-N 2 2 274.368 0.638 20 0 CCADLP CS(=O)(=O)c1cccc([C@H](CO)[NH2+]C2CC[NH2+]CC2)c1 ZINC001246487519 807262969 /nfs/dbraw/zinc/26/29/69/807262969.db2.gz GISQAJRORXJIKG-AWEZNQCLSA-N 2 2 298.408 0.465 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc3[nH+]ccn3c2)CN1 ZINC001246495367 807265125 /nfs/dbraw/zinc/26/51/25/807265125.db2.gz OXVGBSNXHCKNQF-STQMWFEESA-N 2 2 288.351 0.718 20 0 CCADLP FC(F)(F)[C@@H]1C[C@@H]([N@@H+]2CCC[NH2+]CC2)CCN1 ZINC001246521963 807272178 /nfs/dbraw/zinc/27/21/78/807272178.db2.gz DHIRUNPAYKOSNG-UWVGGRQHSA-N 2 2 251.296 0.965 20 0 CCADLP FC(F)(F)[C@@H]1C[C@@H]([N@H+]2CCC[NH2+]CC2)CCN1 ZINC001246521963 807272185 /nfs/dbraw/zinc/27/21/85/807272185.db2.gz DHIRUNPAYKOSNG-UWVGGRQHSA-N 2 2 251.296 0.965 20 0 CCADLP COC(=O)[C@H]([NH3+])Cc1cn([C@H]2CC[C@@H](C)[NH2+]C2)cn1 ZINC001246527460 807274170 /nfs/dbraw/zinc/27/41/70/807274170.db2.gz YOSJEHCYYHYDMV-ADEWGFFLSA-N 2 2 266.345 0.239 20 0 CCADLP OC[C@H]1CCC(F)(F)C[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246549331 807282867 /nfs/dbraw/zinc/28/28/67/807282867.db2.gz MDYRXVHEWOOJDE-GHMZBOCLSA-N 2 2 275.343 0.172 20 0 CCADLP OC[C@H]1CCC(F)(F)C[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246549331 807282871 /nfs/dbraw/zinc/28/28/71/807282871.db2.gz MDYRXVHEWOOJDE-GHMZBOCLSA-N 2 2 275.343 0.172 20 0 CCADLP CCOC(=O)C1=C(O)CC[N@@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246597204 807315041 /nfs/dbraw/zinc/31/50/41/807315041.db2.gz SOPRXWMVVNGWMM-IJLUTSLNSA-N 2 2 268.357 0.581 20 0 CCADLP CCOC(=O)C1=C(O)CC[N@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246597204 807315050 /nfs/dbraw/zinc/31/50/50/807315050.db2.gz SOPRXWMVVNGWMM-IJLUTSLNSA-N 2 2 268.357 0.581 20 0 CCADLP CCOC(=O)C1=C(O)CC[N@@H+]([C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246597208 807315909 /nfs/dbraw/zinc/31/59/09/807315909.db2.gz SOPRXWMVVNGWMM-SDDRHHMPSA-N 2 2 268.357 0.581 20 0 CCADLP CCOC(=O)C1=C(O)CC[N@H+]([C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246597208 807315917 /nfs/dbraw/zinc/31/59/17/807315917.db2.gz SOPRXWMVVNGWMM-SDDRHHMPSA-N 2 2 268.357 0.581 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CCN1 ZINC001246656571 807348223 /nfs/dbraw/zinc/34/82/23/807348223.db2.gz NKCGQLYEMNDBQL-KZVDOYCCSA-N 2 2 267.373 0.093 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CCN1 ZINC001246656571 807348232 /nfs/dbraw/zinc/34/82/32/807348232.db2.gz NKCGQLYEMNDBQL-KZVDOYCCSA-N 2 2 267.373 0.093 20 0 CCADLP CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+]([C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246711258 807362770 /nfs/dbraw/zinc/36/27/70/807362770.db2.gz SUBHWLOTVFTEED-RGCMKSIDSA-N 2 2 281.400 0.354 20 0 CCADLP CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+]([C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246711258 807362776 /nfs/dbraw/zinc/36/27/76/807362776.db2.gz SUBHWLOTVFTEED-RGCMKSIDSA-N 2 2 281.400 0.354 20 0 CCADLP CN1C[C@]2(CC1=O)CCCC[N@@H+]2[C@@H]1CCC[NH2+]C1 ZINC001246719565 807367082 /nfs/dbraw/zinc/36/70/82/807367082.db2.gz YTTWDOFAVJZRFK-TZMCWYRMSA-N 2 2 251.374 0.825 20 0 CCADLP CN1C[C@]2(CC1=O)CCCC[N@H+]2[C@@H]1CCC[NH2+]C1 ZINC001246719565 807367090 /nfs/dbraw/zinc/36/70/90/807367090.db2.gz YTTWDOFAVJZRFK-TZMCWYRMSA-N 2 2 251.374 0.825 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N2CCCC[C@@H]2C[NH+]2CCCC2)C[NH2+]1 ZINC001246784666 807376718 /nfs/dbraw/zinc/37/67/18/807376718.db2.gz HQQZWHPVCBSBRB-ILXRZTDVSA-N 2 2 295.427 0.840 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N2CC[C@@H]([NH+]3CCCC3)C2)C[NH2+]1 ZINC001246801144 807387923 /nfs/dbraw/zinc/38/79/23/807387923.db2.gz RPIFNURLTVAQDB-UPJWGTAASA-N 2 2 267.373 0.060 20 0 CCADLP CC(C)(C(N)=O)C1CC[NH+]([C@H]2CCC[NH2+]C2)CC1 ZINC001246822836 807397169 /nfs/dbraw/zinc/39/71/69/807397169.db2.gz MGDXUYZEZCBQMH-LBPRGKRZSA-N 2 2 253.390 0.962 20 0 CCADLP COCCC[NH+]1CCC([N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246857489 807409093 /nfs/dbraw/zinc/40/90/93/807409093.db2.gz ZVSXRENRIVYLEH-UKRRQHHQSA-N 3 2 267.417 0.910 20 0 CCADLP COCCC[NH+]1CCC([N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246857489 807409095 /nfs/dbraw/zinc/40/90/95/807409095.db2.gz ZVSXRENRIVYLEH-UKRRQHHQSA-N 3 2 267.417 0.910 20 0 CCADLP CCOC(=O)C1(N)CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001246870323 807416860 /nfs/dbraw/zinc/41/68/60/807416860.db2.gz VQDVJAKLFJLEEU-UHFFFAOYSA-N 2 2 255.362 0.095 20 0 CCADLP C[C@@H]1C[C@H]([N@@H+]2Cc3ccnn3CC[C@H]2CO)CC[NH2+]1 ZINC001246944857 807437674 /nfs/dbraw/zinc/43/76/74/807437674.db2.gz XZYYOVNXRQPKRF-BZPMIXESSA-N 2 2 264.373 0.590 20 0 CCADLP C[C@@H]1C[C@H]([N@H+]2Cc3ccnn3CC[C@H]2CO)CC[NH2+]1 ZINC001246944857 807437678 /nfs/dbraw/zinc/43/76/78/807437678.db2.gz XZYYOVNXRQPKRF-BZPMIXESSA-N 2 2 264.373 0.590 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)CN1 ZINC001246973223 807443204 /nfs/dbraw/zinc/44/32/04/807443204.db2.gz NOAGQZWXTHUTNT-YUTCNCBUSA-N 2 2 281.400 0.354 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)CN1 ZINC001246973223 807443206 /nfs/dbraw/zinc/44/32/06/807443206.db2.gz NOAGQZWXTHUTNT-YUTCNCBUSA-N 2 2 281.400 0.354 20 0 CCADLP CCCNC(=O)COC1CC[NH+]([C@H]2CCC[NH2+]C2)CC1 ZINC001246973952 807445127 /nfs/dbraw/zinc/44/51/27/807445127.db2.gz LRINBWFGWBUPGZ-ZDUSSCGKSA-N 2 2 283.416 0.746 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([N@H+](C)C[C@@H]([NH3+])CC)CO1 ZINC001246974772 807445194 /nfs/dbraw/zinc/44/51/94/807445194.db2.gz QVGSZONDQMFMKU-TUAOUCFPSA-N 2 2 258.362 0.766 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+](C)C[C@@H]([NH3+])CC)CO1 ZINC001246974772 807445196 /nfs/dbraw/zinc/44/51/96/807445196.db2.gz QVGSZONDQMFMKU-TUAOUCFPSA-N 2 2 258.362 0.766 20 0 CCADLP CCOC(=O)[C@@H]1C[N@@H+]([C@H]2CC[C@H](C)[NH2+]C2)CCC12C[NH2+]C2 ZINC001247003883 807451188 /nfs/dbraw/zinc/45/11/88/807451188.db2.gz BNLJPPZHGFNGTR-IHRRRGAJSA-N 3 2 295.427 0.602 20 0 CCADLP CCOC(=O)[C@@H]1C[N@H+]([C@H]2CC[C@H](C)[NH2+]C2)CCC12C[NH2+]C2 ZINC001247003883 807451190 /nfs/dbraw/zinc/45/11/90/807451190.db2.gz BNLJPPZHGFNGTR-IHRRRGAJSA-N 3 2 295.427 0.602 20 0 CCADLP [NH3+]C[C@H]([NH3+])Cc1nc(-c2ccc3c(c2)C(=O)CC3)no1 ZINC001249129700 807544297 /nfs/dbraw/zinc/54/42/97/807544297.db2.gz RFYXUSRSRWPERR-SNVBAGLBSA-N 2 2 272.308 0.694 20 0 CCADLP [NH3+]C[C@H]([NH3+])Cc1nc(-c2ccc(-n3cccn3)cc2)no1 ZINC001249129798 807544415 /nfs/dbraw/zinc/54/44/15/807544415.db2.gz SXWWRMCRXHGROZ-LLVKDONJSA-N 2 2 284.323 0.751 20 0 CCADLP [NH3+]C[C@H]([NH3+])Cc1nc(-c2cc(C(F)(F)F)ccn2)no1 ZINC001249128390 807544768 /nfs/dbraw/zinc/54/47/68/807544768.db2.gz BMQYCRJNTXBMNU-SSDOTTSWSA-N 2 2 287.245 0.979 20 0 CCADLP [NH3+]C[C@H]([NH3+])Cc1nc(-c2ccc(C(F)(F)F)nc2)no1 ZINC001249129360 807545110 /nfs/dbraw/zinc/54/51/10/807545110.db2.gz MSGDUMHKWVVACV-SSDOTTSWSA-N 2 2 287.245 0.979 20 0 CCADLP C[NH+](C)CCNC(=S)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC001249836162 807573832 /nfs/dbraw/zinc/57/38/32/807573832.db2.gz CSCHUHCLWNRUBP-ZDUSSCGKSA-N 2 2 294.424 0.971 20 0 CCADLP C[NH+]1CC(C[NH2+]C[C@@H](O)COc2cccc(F)c2)C1 ZINC001250832748 807618868 /nfs/dbraw/zinc/61/88/68/807618868.db2.gz ZSGZPOOVNOHKLI-CYBMUJFWSA-N 2 2 268.332 0.717 20 0 CCADLP CCCC[N@H+](CC)CCNC[C@@H](O)C[NH+]1CCOCC1 ZINC001251033257 807649836 /nfs/dbraw/zinc/64/98/36/807649836.db2.gz NBMSIZDRYWCJDP-OAHLLOKOSA-N 2 2 287.448 0.391 20 0 CCADLP CCCC[N@@H+](CC)CCNC[C@@H](O)C[NH+]1CCOCC1 ZINC001251033257 807649842 /nfs/dbraw/zinc/64/98/42/807649842.db2.gz NBMSIZDRYWCJDP-OAHLLOKOSA-N 2 2 287.448 0.391 20 0 CCADLP COCC[NH2+][C@H]1CN(C(=O)CCn2cc[nH+]c2)CC1(C)C ZINC001278660851 807809466 /nfs/dbraw/zinc/80/94/66/807809466.db2.gz AQGOXLLLPCPZSM-ZDUSSCGKSA-N 2 2 294.399 0.746 20 0 CCADLP O=C1C[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CO1 ZINC001252946044 807988424 /nfs/dbraw/zinc/98/84/24/807988424.db2.gz MWDSUAUGYVFRHY-GOEBONIOSA-N 2 2 290.363 0.529 20 0 CCADLP O=C1C[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CO1 ZINC001252946044 807988428 /nfs/dbraw/zinc/98/84/28/807988428.db2.gz MWDSUAUGYVFRHY-GOEBONIOSA-N 2 2 290.363 0.529 20 0 CCADLP CCOC(=O)[C@H]1[C@@H]2C[N@@H+](C[C@@H](O)C[NH+](CC)CC)C[C@@H]21 ZINC001253193677 808027125 /nfs/dbraw/zinc/02/71/25/808027125.db2.gz HGIFMRYSJZJYDK-IGQOVBAYSA-N 2 2 284.400 0.430 20 0 CCADLP CCOC(=O)[C@H]1[C@@H]2C[N@H+](C[C@@H](O)C[NH+](CC)CC)C[C@@H]21 ZINC001253193677 808027133 /nfs/dbraw/zinc/02/71/33/808027133.db2.gz HGIFMRYSJZJYDK-IGQOVBAYSA-N 2 2 284.400 0.430 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H]1CC(=O)N(C(C)C)C1 ZINC001253207169 808031319 /nfs/dbraw/zinc/03/13/19/808031319.db2.gz AJRJYTNZOLOPJS-OLZOCXBDSA-N 2 2 271.405 0.288 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H](C(=O)NC)C(C)(C)C ZINC001253209230 808032552 /nfs/dbraw/zinc/03/25/52/808032552.db2.gz CHRPCHIIHWNGFD-NWDGAFQWSA-N 2 2 273.421 0.439 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]Cc1ccc[nH]c1=O ZINC001253209521 808033633 /nfs/dbraw/zinc/03/36/33/808033633.db2.gz GCOWZSUVFUHQIK-GFCCVEGCSA-N 2 2 253.346 0.580 20 0 CCADLP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2C[C@@H](S(C)(=O)=O)C2)CC1 ZINC001254502061 808246917 /nfs/dbraw/zinc/24/69/17/808246917.db2.gz BMEGOFUTSTXYGD-UTUOFQBUSA-N 2 2 260.403 0.636 20 0 CCADLP C[N@H+]1CCC[C@@H]([NH2+][C@H]2C[C@@H](S(C)(=O)=O)C2)CC1 ZINC001254502061 808246919 /nfs/dbraw/zinc/24/69/19/808246919.db2.gz BMEGOFUTSTXYGD-UTUOFQBUSA-N 2 2 260.403 0.636 20 0 CCADLP CC(=O)N1CC[C@@H]([NH2+][C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254849005 808286700 /nfs/dbraw/zinc/28/67/00/808286700.db2.gz QJQZBUMOOVLTQS-ZIAGYGMSSA-N 2 2 251.374 0.681 20 0 CCADLP C(C[NH+]1CCOCC1)N1CC[NH+](C2CCSCC2)CC1 ZINC001255093203 808316360 /nfs/dbraw/zinc/31/63/60/808316360.db2.gz NNOFQPOQAHVGMZ-UHFFFAOYSA-N 2 2 299.484 0.832 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCN1C ZINC001255682744 808423495 /nfs/dbraw/zinc/42/34/95/808423495.db2.gz LFXULTIEQVMDOM-IXXDHKBRSA-N 2 2 295.427 0.791 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCN1C ZINC001255682744 808423502 /nfs/dbraw/zinc/42/35/02/808423502.db2.gz LFXULTIEQVMDOM-IXXDHKBRSA-N 2 2 295.427 0.791 20 0 CCADLP COC(=O)[C@@H]1C[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCN1C ZINC001255682744 808423509 /nfs/dbraw/zinc/42/35/09/808423509.db2.gz LFXULTIEQVMDOM-IXXDHKBRSA-N 2 2 295.427 0.791 20 0 CCADLP COC(=O)[C@@H]1C[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCN1C ZINC001255682744 808423515 /nfs/dbraw/zinc/42/35/15/808423515.db2.gz LFXULTIEQVMDOM-IXXDHKBRSA-N 2 2 295.427 0.791 20 0 CCADLP CC[NH+](CC)CC[C@H](C)N1CC[N@H+](CC(N)=O)C(C)(C)C1 ZINC001255964350 808442866 /nfs/dbraw/zinc/44/28/66/808442866.db2.gz RDJCRWHXLHKBQG-AWEZNQCLSA-N 2 2 298.475 0.988 20 0 CCADLP CC[NH+](CC)CC[C@H](C)N1CC[N@@H+](CC(N)=O)C(C)(C)C1 ZINC001255964350 808442872 /nfs/dbraw/zinc/44/28/72/808442872.db2.gz RDJCRWHXLHKBQG-AWEZNQCLSA-N 2 2 298.475 0.988 20 0 CCADLP CN1CCN(C)C2(CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC001256204244 808479476 /nfs/dbraw/zinc/47/94/76/808479476.db2.gz FSKXVEGPGBCFIZ-UHFFFAOYSA-N 2 2 294.443 0.319 20 0 CCADLP CC1=NC2(CC[NH+](C3CC[NH+](C)CC3)CC2)C(=O)N1C ZINC001256208878 808481610 /nfs/dbraw/zinc/48/16/10/808481610.db2.gz JTCJGVLAJMBACA-UHFFFAOYSA-N 2 2 278.400 0.806 20 0 CCADLP C[C@@H](CC(=O)N1CCOCC1)[NH2+]CCOc1cc[nH+]cc1 ZINC001256334169 808499599 /nfs/dbraw/zinc/49/95/99/808499599.db2.gz DJDDBULOZFUAPL-ZDUSSCGKSA-N 2 2 293.367 0.687 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@@H]2CC3CC[NH+]2CC3)C1 ZINC001142635164 815212384 /nfs/dbraw/zinc/21/23/84/815212384.db2.gz HEGMQIJNVISKSO-ZDUSSCGKSA-N 2 2 251.374 0.680 20 0 CCADLP C[C@H]1C[C@H]([NH2+][C@@H](CO)C(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC001256529130 808532529 /nfs/dbraw/zinc/53/25/29/808532529.db2.gz QVGYWFMWCMNCKB-CFVMTHIKSA-N 2 2 291.395 0.475 20 0 CCADLP C[C@H]1C[C@H]([NH2+][C@@H](CO)C(N)=O)CC[N@H+]1Cc1ccccc1 ZINC001256529130 808532534 /nfs/dbraw/zinc/53/25/34/808532534.db2.gz QVGYWFMWCMNCKB-CFVMTHIKSA-N 2 2 291.395 0.475 20 0 CCADLP O=C(N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001083539668 815236983 /nfs/dbraw/zinc/23/69/83/815236983.db2.gz LDJQMDQJFATUTC-OXHZDVMGSA-N 2 2 290.367 0.085 20 0 CCADLP O=C(N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001083539668 815236989 /nfs/dbraw/zinc/23/69/89/815236989.db2.gz LDJQMDQJFATUTC-OXHZDVMGSA-N 2 2 290.367 0.085 20 0 CCADLP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001262007430 809151524 /nfs/dbraw/zinc/15/15/24/809151524.db2.gz FTLIXGRBWUWWIV-PWSUYJOCSA-N 2 2 264.329 0.232 20 0 CCADLP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001262007430 809151530 /nfs/dbraw/zinc/15/15/30/809151530.db2.gz FTLIXGRBWUWWIV-PWSUYJOCSA-N 2 2 264.329 0.232 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2c[nH+]cn2C)C1 ZINC001262098088 809190065 /nfs/dbraw/zinc/19/00/65/809190065.db2.gz UQJQOXVBSDUZDZ-WDEREUQCSA-N 2 2 265.361 0.689 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)c1cn2cc(C[NH3+])ccc2n1 ZINC001263096079 809441973 /nfs/dbraw/zinc/44/19/73/809441973.db2.gz GOHXQJDHMACFFS-LLVKDONJSA-N 2 2 298.350 0.808 20 0 CCADLP CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1CCF ZINC001263816444 809577245 /nfs/dbraw/zinc/57/72/45/809577245.db2.gz CDILQONVFALYCG-LBPRGKRZSA-N 2 2 259.369 0.830 20 0 CCADLP CC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1CCF ZINC001263816444 809577249 /nfs/dbraw/zinc/57/72/49/809577249.db2.gz CDILQONVFALYCG-LBPRGKRZSA-N 2 2 259.369 0.830 20 0 CCADLP CC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1CCF ZINC001263816444 809577252 /nfs/dbraw/zinc/57/72/52/809577252.db2.gz CDILQONVFALYCG-LBPRGKRZSA-N 2 2 259.369 0.830 20 0 CCADLP CC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1CCF ZINC001263816444 809577255 /nfs/dbraw/zinc/57/72/55/809577255.db2.gz CDILQONVFALYCG-LBPRGKRZSA-N 2 2 259.369 0.830 20 0 CCADLP CC[NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001263878242 809596878 /nfs/dbraw/zinc/59/68/78/809596878.db2.gz QSWWAQMBSXRKCE-XYPYZODXSA-N 2 2 250.346 0.467 20 0 CCADLP COCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001265089079 809706141 /nfs/dbraw/zinc/70/61/41/809706141.db2.gz JIXFBPGUWXPRIC-TZMCWYRMSA-N 2 2 294.399 0.958 20 0 CCADLP Cc1nnc(C[NH+](C)CCCNC(=O)C[N@@H+](C)C(C)C)o1 ZINC001265978480 809910817 /nfs/dbraw/zinc/91/08/17/809910817.db2.gz OLMPYUMGZDGMKK-UHFFFAOYSA-N 2 2 297.403 0.656 20 0 CCADLP Cc1nnc(C[NH+](C)CCCNC(=O)C[N@H+](C)C(C)C)o1 ZINC001265978480 809910825 /nfs/dbraw/zinc/91/08/25/809910825.db2.gz OLMPYUMGZDGMKK-UHFFFAOYSA-N 2 2 297.403 0.656 20 0 CCADLP Cc1nnc(C[N@@H+](C)CCCNC(=O)C[NH+](C)C(C)C)o1 ZINC001265978480 809910831 /nfs/dbraw/zinc/91/08/31/809910831.db2.gz OLMPYUMGZDGMKK-UHFFFAOYSA-N 2 2 297.403 0.656 20 0 CCADLP Cc1nnc(C[N@H+](C)CCCNC(=O)C[NH+](C)C(C)C)o1 ZINC001265978480 809910835 /nfs/dbraw/zinc/91/08/35/809910835.db2.gz OLMPYUMGZDGMKK-UHFFFAOYSA-N 2 2 297.403 0.656 20 0 CCADLP C[C@@H](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CCCO ZINC001266155508 809951418 /nfs/dbraw/zinc/95/14/18/809951418.db2.gz OLMQCARYHPERSV-STQMWFEESA-N 2 2 294.399 0.312 20 0 CCADLP CN(C(=O)CCn1cc[nH+]c1)C1CC([NH2+]CCCO)C1 ZINC001279263773 809973760 /nfs/dbraw/zinc/97/37/60/809973760.db2.gz ANXORRTXULTOGK-UHFFFAOYSA-N 2 2 280.372 0.235 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C[C@@H]([NH3+])C(F)F)C1 ZINC000724735179 809988594 /nfs/dbraw/zinc/98/85/94/809988594.db2.gz RBVQZEBOMJSBKT-OPRDCNLKSA-N 2 2 263.332 0.958 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](CC[NH2+]CCCO)C1 ZINC001280241298 810010680 /nfs/dbraw/zinc/01/06/80/810010680.db2.gz LLPVSUIQDJSCOF-LBPRGKRZSA-N 2 2 280.372 0.163 20 0 CCADLP [NH3+][C@H](CC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C(F)F ZINC000724750854 811091950 /nfs/dbraw/zinc/09/19/50/811091950.db2.gz GVCYQKZPYBWRBY-LPEHRKFASA-N 2 2 261.316 0.712 20 0 CCADLP [NH3+][C@H](CC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)C(F)F ZINC000724750854 811091959 /nfs/dbraw/zinc/09/19/59/811091959.db2.gz GVCYQKZPYBWRBY-LPEHRKFASA-N 2 2 261.316 0.712 20 0 CCADLP CO[C@@H](C)C[NH2+]CCN(C)C(=O)CCc1[nH+]ccn1C ZINC001267407354 811291323 /nfs/dbraw/zinc/29/13/23/811291323.db2.gz QQMZGTUVJAPOJX-LBPRGKRZSA-N 2 2 282.388 0.436 20 0 CCADLP C[C@H](O)C[NH2+]CCN(C)C(=O)CCCn1cc[nH+]c1 ZINC001267477332 811360757 /nfs/dbraw/zinc/36/07/57/811360757.db2.gz AGSDGDKLSXLIAS-LBPRGKRZSA-N 2 2 268.361 0.092 20 0 CCADLP CC(C)=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001077236033 815466689 /nfs/dbraw/zinc/46/66/89/815466689.db2.gz CPWYLAGWGWFCGW-RBSFLKMASA-N 2 2 295.427 0.598 20 0 CCADLP CC(C)=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001077236033 815466692 /nfs/dbraw/zinc/46/66/92/815466692.db2.gz CPWYLAGWGWFCGW-RBSFLKMASA-N 2 2 295.427 0.598 20 0 CCADLP CC(C)=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001077236033 815466696 /nfs/dbraw/zinc/46/66/96/815466696.db2.gz CPWYLAGWGWFCGW-RBSFLKMASA-N 2 2 295.427 0.598 20 0 CCADLP CC(C)=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001077236033 815466700 /nfs/dbraw/zinc/46/67/00/815466700.db2.gz CPWYLAGWGWFCGW-RBSFLKMASA-N 2 2 295.427 0.598 20 0 CCADLP CCNC(=O)N1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000722186183 811981557 /nfs/dbraw/zinc/98/15/57/811981557.db2.gz WBKDMKICVGMKJC-NEPJUHHUSA-N 2 2 254.378 0.189 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CC[NH2+]C[C@@H]1CCOC1 ZINC001268420288 812558292 /nfs/dbraw/zinc/55/82/92/812558292.db2.gz VXXDSILANWWJFN-AAEUAGOBSA-N 2 2 294.399 0.782 20 0 CCADLP CCN(CC[NH2+]Cc1nncs1)C(=O)CC[NH+](C)C ZINC001268477035 812634181 /nfs/dbraw/zinc/63/41/81/812634181.db2.gz WLWOZTIYCIRVIC-UHFFFAOYSA-N 2 2 285.417 0.428 20 0 CCADLP O=C(CCCC[NH+]1CCCC1)NC1C[NH+](CCO)C1 ZINC001268491461 812680845 /nfs/dbraw/zinc/68/08/45/812680845.db2.gz INXNHQCRLBKUIT-UHFFFAOYSA-N 2 2 269.389 0.045 20 0 CCADLP COc1cccc(-c2noc([C@H]3C[NH2+]C[C@@H]3[NH3+])n2)n1 ZINC001211757506 812685935 /nfs/dbraw/zinc/68/59/35/812685935.db2.gz BWXIDKBIESYPOE-YUMQZZPRSA-N 2 2 261.285 0.154 20 0 CCADLP O=C(NC[C@H]1CC[N@@H+](CCCO)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001028607020 812967277 /nfs/dbraw/zinc/96/72/77/812967277.db2.gz HETQIVDDKOESMW-JHJVBQTASA-N 2 2 292.383 0.334 20 0 CCADLP O=C(NC[C@H]1CC[N@H+](CCCO)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001028607020 812967280 /nfs/dbraw/zinc/96/72/80/812967280.db2.gz HETQIVDDKOESMW-JHJVBQTASA-N 2 2 292.383 0.334 20 0 CCADLP O=C(NC[C@H]1CC[N@@H+](CCCO)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001028607020 812967285 /nfs/dbraw/zinc/96/72/85/812967285.db2.gz HETQIVDDKOESMW-JHJVBQTASA-N 2 2 292.383 0.334 20 0 CCADLP O=C(NC[C@H]1CC[N@H+](CCCO)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001028607020 812967291 /nfs/dbraw/zinc/96/72/91/812967291.db2.gz HETQIVDDKOESMW-JHJVBQTASA-N 2 2 292.383 0.334 20 0 CCADLP C[C@H](C[NH2+]CCC(F)(F)F)NC(=O)Cc1[nH]cc[nH+]1 ZINC001268666923 812991772 /nfs/dbraw/zinc/99/17/72/812991772.db2.gz FCFWSAZVYBJDCR-MRVPVSSYSA-N 2 2 278.278 0.999 20 0 CCADLP CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001268693872 813016719 /nfs/dbraw/zinc/01/67/19/813016719.db2.gz PFXPGWQXXLEVOS-QWRGUYRKSA-N 2 2 250.346 0.560 20 0 CCADLP C[C@@H](C[NH2+]CC[C@@H]1CCCCO1)NC(=O)Cn1cc[nH+]c1 ZINC001268717769 813031976 /nfs/dbraw/zinc/03/19/76/813031976.db2.gz IFXFBTXXPJWQBB-KBPBESRZSA-N 2 2 294.399 0.937 20 0 CCADLP C[C@@H](C[N@H+](C)CCO)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001268748815 813059783 /nfs/dbraw/zinc/05/97/83/813059783.db2.gz LSJVLLVJIYZCOW-RYUDHWBXSA-N 2 2 268.361 0.263 20 0 CCADLP C[C@@H](C[N@@H+](C)CCO)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001268748815 813059790 /nfs/dbraw/zinc/05/97/90/813059790.db2.gz LSJVLLVJIYZCOW-RYUDHWBXSA-N 2 2 268.361 0.263 20 0 CCADLP Cc1nc(C[NH2+]CCCN(C)C(=O)Cn2cc[nH+]c2)co1 ZINC001268964057 813160128 /nfs/dbraw/zinc/16/01/28/813160128.db2.gz FGPPQFJPFZMXHH-UHFFFAOYSA-N 2 2 291.355 0.818 20 0 CCADLP C[C@@H](O)CCC[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001269522553 813403261 /nfs/dbraw/zinc/40/32/61/813403261.db2.gz PLCNTTKIHYNFKR-GFCCVEGCSA-N 2 2 294.399 0.362 20 0 CCADLP Cc1ccncc1C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126436509 813582934 /nfs/dbraw/zinc/58/29/34/813582934.db2.gz DFSZGFQBYVRRNT-UHFFFAOYSA-N 2 2 287.367 0.952 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]C[C@H]1CCCCO1 ZINC001126448336 813637346 /nfs/dbraw/zinc/63/73/46/813637346.db2.gz SANYJVWLVNZKGP-GFCCVEGCSA-N 2 2 280.372 0.617 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C[NH2+]CCCO ZINC001270443518 813766117 /nfs/dbraw/zinc/76/61/17/813766117.db2.gz HXSKANZBKJDPRY-QWHCGFSZSA-N 2 2 294.399 0.170 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+]C[C@@H]1CCOC1 ZINC001167977761 813881140 /nfs/dbraw/zinc/88/11/40/813881140.db2.gz IZTRLVMOODRNME-STQMWFEESA-N 2 2 294.399 0.721 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+]C[C@@H]1CCOC1 ZINC001167977761 813881148 /nfs/dbraw/zinc/88/11/48/813881148.db2.gz IZTRLVMOODRNME-STQMWFEESA-N 2 2 294.399 0.721 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2 ZINC001270670528 813888431 /nfs/dbraw/zinc/88/84/31/813888431.db2.gz SALLHZDCJSLSSX-AWEZNQCLSA-N 2 2 288.395 0.753 20 0 CCADLP C[C@@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C1CCCC1)[NH+](C)C ZINC001271147352 814209396 /nfs/dbraw/zinc/20/93/96/814209396.db2.gz MEXXQTQCUQLIKI-CFVMTHIKSA-N 2 2 295.427 0.791 20 0 CCADLP C[C@@H](C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C1CCCC1)[NH+](C)C ZINC001271147352 814209402 /nfs/dbraw/zinc/20/94/02/814209402.db2.gz MEXXQTQCUQLIKI-CFVMTHIKSA-N 2 2 295.427 0.791 20 0 CCADLP Cc1nc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)cc[nH+]1 ZINC001059586387 814594584 /nfs/dbraw/zinc/59/45/84/814594584.db2.gz PSWVCVZCDSENQO-XQQFMLRXSA-N 2 2 289.383 0.938 20 0 CCADLP Cc1nc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)cc[nH+]1 ZINC001059586387 814594594 /nfs/dbraw/zinc/59/45/94/814594594.db2.gz PSWVCVZCDSENQO-XQQFMLRXSA-N 2 2 289.383 0.938 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CCCCC[C@H]([NH2+]CCO)C1 ZINC001088325121 814611916 /nfs/dbraw/zinc/61/19/16/814611916.db2.gz IBHGGJXKNQMCNB-AWEZNQCLSA-N 2 2 294.399 0.695 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CCCCC[C@H]([NH2+]CCO)C1 ZINC001088325121 814611919 /nfs/dbraw/zinc/61/19/19/814611919.db2.gz IBHGGJXKNQMCNB-AWEZNQCLSA-N 2 2 294.399 0.695 20 0 CCADLP C[N@@H+]1CCC12CN(C(=O)[C@@H]1CC[NH+]1C(C)(C)C)C2 ZINC001271976429 814658535 /nfs/dbraw/zinc/65/85/35/814658535.db2.gz UXIRNNILMYNJSP-NSHDSACASA-N 2 2 251.374 0.776 20 0 CCADLP C[N@H+]1CCC12CN(C(=O)[C@@H]1CC[NH+]1C(C)(C)C)C2 ZINC001271976429 814658540 /nfs/dbraw/zinc/65/85/40/814658540.db2.gz UXIRNNILMYNJSP-NSHDSACASA-N 2 2 251.374 0.776 20 0 CCADLP C[NH+]1CCC12CN(C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C)C2 ZINC001271976429 814658549 /nfs/dbraw/zinc/65/85/49/814658549.db2.gz UXIRNNILMYNJSP-NSHDSACASA-N 2 2 251.374 0.776 20 0 CCADLP C[NH+]1CCC12CN(C(=O)[C@@H]1CC[N@H+]1C(C)(C)C)C2 ZINC001271976429 814658552 /nfs/dbraw/zinc/65/85/52/814658552.db2.gz UXIRNNILMYNJSP-NSHDSACASA-N 2 2 251.374 0.776 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCCCC[C@H]([NH2+]CCO)C1 ZINC001088389954 814666226 /nfs/dbraw/zinc/66/62/26/814666226.db2.gz AUNPAOBENNLHEU-LBPRGKRZSA-N 2 2 280.372 0.305 20 0 CCADLP CC1(Nc2cc3c(c[nH+]2)OCC(=O)N3)CC[NH2+]CC1 ZINC001168181734 814878641 /nfs/dbraw/zinc/87/86/41/814878641.db2.gz CRVJCSNRTLWNTF-UHFFFAOYSA-N 2 2 262.313 0.967 20 0 CCADLP C[N@@H+]1CCc2ncnc(N[C@H]3C[NH2+]CC[C@H]3F)c2C1 ZINC001168226459 814915211 /nfs/dbraw/zinc/91/52/11/814915211.db2.gz AITWYKAUKRCXKU-PWSUYJOCSA-N 2 2 265.336 0.576 20 0 CCADLP C[N@H+]1CCc2ncnc(N[C@H]3C[NH2+]CC[C@H]3F)c2C1 ZINC001168226459 814915216 /nfs/dbraw/zinc/91/52/16/814915216.db2.gz AITWYKAUKRCXKU-PWSUYJOCSA-N 2 2 265.336 0.576 20 0 CCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)[C@]1(F)CC[NH2+]C1 ZINC000165266405 815729850 /nfs/dbraw/zinc/72/98/50/815729850.db2.gz UYOYCQDVEDUDRI-AWEZNQCLSA-N 2 2 280.347 0.580 20 0 CCADLP CN(C)C(=O)C1C[NH+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168392664 815756882 /nfs/dbraw/zinc/75/68/82/815756882.db2.gz RUPSAHOOKGEZGB-UHFFFAOYSA-N 2 2 265.401 0.881 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC001030162815 815851340 /nfs/dbraw/zinc/85/13/40/815851340.db2.gz ZOTJHKIKMLJIEH-KGLIPLIRSA-N 2 2 295.427 0.696 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC001030162815 815851349 /nfs/dbraw/zinc/85/13/49/815851349.db2.gz ZOTJHKIKMLJIEH-KGLIPLIRSA-N 2 2 295.427 0.696 20 0 CCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001030302248 815967047 /nfs/dbraw/zinc/96/70/47/815967047.db2.gz ZCMBISQZYYQKEE-AAEUAGOBSA-N 2 2 269.389 0.040 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001030302248 815967051 /nfs/dbraw/zinc/96/70/51/815967051.db2.gz ZCMBISQZYYQKEE-AAEUAGOBSA-N 2 2 269.389 0.040 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NC2C[NH+]([C@@H](C)COC)C2)CC[N@@H+]1C ZINC001030340728 815983457 /nfs/dbraw/zinc/98/34/57/815983457.db2.gz BRRZGAYAKDOLHL-FPMFFAJLSA-N 2 2 283.416 0.552 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NC2C[NH+]([C@@H](C)COC)C2)CC[N@H+]1C ZINC001030340728 815983459 /nfs/dbraw/zinc/98/34/59/815983459.db2.gz BRRZGAYAKDOLHL-FPMFFAJLSA-N 2 2 283.416 0.552 20 0 CCADLP CC(C)C[N@@H+]1CC[C@H](C(=O)NC2C[NH+](C[C@@H](C)O)C2)C1 ZINC001030432522 816037712 /nfs/dbraw/zinc/03/77/12/816037712.db2.gz JIESNIJHKBUZIO-OLZOCXBDSA-N 2 2 283.416 0.146 20 0 CCADLP CC(C)C[N@H+]1CC[C@H](C(=O)NC2C[NH+](C[C@@H](C)O)C2)C1 ZINC001030432522 816037719 /nfs/dbraw/zinc/03/77/19/816037719.db2.gz JIESNIJHKBUZIO-OLZOCXBDSA-N 2 2 283.416 0.146 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001030433271 816037828 /nfs/dbraw/zinc/03/78/28/816037828.db2.gz XWLWQHSSRXROTE-UONOGXRCSA-N 2 2 297.443 0.800 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001030433271 816037836 /nfs/dbraw/zinc/03/78/36/816037836.db2.gz XWLWQHSSRXROTE-UONOGXRCSA-N 2 2 297.443 0.800 20 0 CCADLP CCC[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001030438540 816039660 /nfs/dbraw/zinc/03/96/60/816039660.db2.gz FEKPOFWXNXNIMV-OAHLLOKOSA-N 2 2 295.427 0.840 20 0 CCADLP CCC[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001030438540 816039668 /nfs/dbraw/zinc/03/96/68/816039668.db2.gz FEKPOFWXNXNIMV-OAHLLOKOSA-N 2 2 295.427 0.840 20 0 CCADLP CC[C@@H](C)C[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001030515671 816081236 /nfs/dbraw/zinc/08/12/36/816081236.db2.gz FHOIXXNIEQVBII-YRGRVCCFSA-N 2 2 283.416 0.552 20 0 CCADLP CC[C@@H](C)C[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001030515671 816081242 /nfs/dbraw/zinc/08/12/42/816081242.db2.gz FHOIXXNIEQVBII-YRGRVCCFSA-N 2 2 283.416 0.552 20 0 CCADLP Cc1c(C(=O)NC2C[NH+](C[C@@H](C)O)C2)ccc2c[nH+]cn21 ZINC001030585978 816127674 /nfs/dbraw/zinc/12/76/74/816127674.db2.gz BPNOWXJAVAMCCX-SNVBAGLBSA-N 2 2 288.351 0.438 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001030683989 816216689 /nfs/dbraw/zinc/21/66/89/816216689.db2.gz HSBGFLXAGJWCLQ-NSHDSACASA-N 2 2 266.345 0.027 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCF)[C@@H]1C ZINC001089041134 816222022 /nfs/dbraw/zinc/22/20/22/816222022.db2.gz FBDSPPVTPVVEFH-PWSUYJOCSA-N 2 2 268.336 0.740 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCF)[C@@H]1C ZINC001089041134 816222016 /nfs/dbraw/zinc/22/20/16/816222016.db2.gz FBDSPPVTPVVEFH-PWSUYJOCSA-N 2 2 268.336 0.740 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001089075305 816234529 /nfs/dbraw/zinc/23/45/29/816234529.db2.gz YCISOWQJPXXMGB-NEPJUHHUSA-N 2 2 250.346 0.872 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001089075305 816234534 /nfs/dbraw/zinc/23/45/34/816234534.db2.gz YCISOWQJPXXMGB-NEPJUHHUSA-N 2 2 250.346 0.872 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001030959355 816504253 /nfs/dbraw/zinc/50/42/53/816504253.db2.gz AKJPEMJJQWYKJG-JQWIXIFHSA-N 2 2 257.353 0.344 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001030959355 816504258 /nfs/dbraw/zinc/50/42/58/816504258.db2.gz AKJPEMJJQWYKJG-JQWIXIFHSA-N 2 2 257.353 0.344 20 0 CCADLP C[N@H+](CCOCC[NH3+])CC(=O)Nc1cccnc1Cl ZINC000699187006 816626768 /nfs/dbraw/zinc/62/67/68/816626768.db2.gz LJYZECQWWBCTLO-UHFFFAOYSA-N 2 2 286.763 0.581 20 0 CCADLP C[N@@H+](CCOCC[NH3+])CC(=O)Nc1cccnc1Cl ZINC000699187006 816626775 /nfs/dbraw/zinc/62/67/75/816626775.db2.gz LJYZECQWWBCTLO-UHFFFAOYSA-N 2 2 286.763 0.581 20 0 CCADLP [NH3+]Cc1cccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235061749 816800899 /nfs/dbraw/zinc/80/08/99/816800899.db2.gz NKQUQDFFAKBUMP-OAHLLOKOSA-N 3 2 260.385 0.283 20 0 CCADLP [NH3+]Cc1cccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235061749 816800904 /nfs/dbraw/zinc/80/09/04/816800904.db2.gz NKQUQDFFAKBUMP-OAHLLOKOSA-N 3 2 260.385 0.283 20 0 CCADLP Cc1[nH+]cn(C)c1CN(CC[NH+](C)C)CC[NH+](C)C ZINC001235544933 816889786 /nfs/dbraw/zinc/88/97/86/816889786.db2.gz VGCWWBGIJOPDRH-UHFFFAOYSA-N 3 2 267.421 0.654 20 0 CCADLP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NC2C[NH+](CCCO)C2)C1 ZINC001031256899 816908728 /nfs/dbraw/zinc/90/87/28/816908728.db2.gz FKAYBSGIQKVJEL-OCCSQVGLSA-N 2 2 283.416 0.290 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)NC1C[NH+](CC2CC2)C1 ZINC001031267882 816915389 /nfs/dbraw/zinc/91/53/89/816915389.db2.gz ZFSSSRFDYLPRIE-UHFFFAOYSA-N 2 2 274.368 0.972 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001106877182 816972067 /nfs/dbraw/zinc/97/20/67/816972067.db2.gz QOWKOAQOSWMKCV-FRRDWIJNSA-N 2 2 294.399 0.028 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001106877183 816972195 /nfs/dbraw/zinc/97/21/95/816972195.db2.gz QOWKOAQOSWMKCV-JHJVBQTASA-N 2 2 294.399 0.028 20 0 CCADLP Cc1nocc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001031580899 817162302 /nfs/dbraw/zinc/16/23/02/817162302.db2.gz YMVGYUHQSYOYPA-AWEZNQCLSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1nocc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001031580899 817162307 /nfs/dbraw/zinc/16/23/07/817162307.db2.gz YMVGYUHQSYOYPA-AWEZNQCLSA-N 2 2 292.383 0.625 20 0 CCADLP CC1(C)C[C@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+](CCO)C1 ZINC001089568648 817200474 /nfs/dbraw/zinc/20/04/74/817200474.db2.gz NDXDFFLVARSEKV-CYBMUJFWSA-N 2 2 294.399 0.482 20 0 CCADLP CC1(C)C[C@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+](CCO)C1 ZINC001089568648 817200482 /nfs/dbraw/zinc/20/04/82/817200482.db2.gz NDXDFFLVARSEKV-CYBMUJFWSA-N 2 2 294.399 0.482 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C[C@@H]2CCOC(C)(C)C2)C[C@@H]1[NH3+] ZINC001236341501 817269110 /nfs/dbraw/zinc/26/91/10/817269110.db2.gz LFIAPFQBWIKVOB-UTUOFQBUSA-N 2 2 270.373 0.624 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C[C@@H]2CCOC(C)(C)C2)C[C@@H]1[NH3+] ZINC001236341501 817269117 /nfs/dbraw/zinc/26/91/17/817269117.db2.gz LFIAPFQBWIKVOB-UTUOFQBUSA-N 2 2 270.373 0.624 20 0 CCADLP O=C(NCC1C[NH+](CCCF)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001031776581 817357596 /nfs/dbraw/zinc/35/75/96/817357596.db2.gz XDCCJNVQLKZEJK-CYBMUJFWSA-N 2 2 294.374 0.853 20 0 CCADLP COCCC[NH2+]CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001127779476 817857266 /nfs/dbraw/zinc/85/72/66/817857266.db2.gz MBPMRAZUYUFMHD-UHFFFAOYSA-N 2 2 294.399 0.504 20 0 CCADLP Cc1nc(NC/C=C/CNC(=O)CC[NH+](C)C)cc[nH+]1 ZINC001107490954 817868372 /nfs/dbraw/zinc/86/83/72/817868372.db2.gz YPKVKNOJZFNFDR-SNAWJCMRSA-N 2 2 277.372 0.821 20 0 CCADLP COc1nc(NC(=[NH2+])N2CC[NH+](C)CC2)cn2ccnc12 ZINC001168736286 818543958 /nfs/dbraw/zinc/54/39/58/818543958.db2.gz DQJFLXFWEITKQN-UHFFFAOYSA-N 2 2 289.343 0.332 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc3[nH]c(=O)cc-3[nH]2)CC1 ZINC001168736962 818556216 /nfs/dbraw/zinc/55/62/16/818556216.db2.gz MRJPRMYTGVRYAW-UHFFFAOYSA-N 2 2 274.328 0.170 20 0 CCADLP COC(=O)c1nccc(NC(=[NH2+])N2CC[NH+](C)CC2)c1C ZINC001168741013 818609421 /nfs/dbraw/zinc/60/94/21/818609421.db2.gz UUNQYRLLJSRXBE-UHFFFAOYSA-N 2 2 291.355 0.193 20 0 CCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H]1CC[NH+](CCF)C1 ZINC001033422717 818771570 /nfs/dbraw/zinc/77/15/70/818771570.db2.gz IKIOUTRCYFAXQQ-CHWSQXEVSA-N 2 2 271.380 0.973 20 0 CCADLP C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@@H]1CC[NH+](CCF)C1 ZINC001033422717 818771578 /nfs/dbraw/zinc/77/15/78/818771578.db2.gz IKIOUTRCYFAXQQ-CHWSQXEVSA-N 2 2 271.380 0.973 20 0 CCADLP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@H+](CCF)C1 ZINC001033422717 818771584 /nfs/dbraw/zinc/77/15/84/818771584.db2.gz IKIOUTRCYFAXQQ-CHWSQXEVSA-N 2 2 271.380 0.973 20 0 CCADLP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@@H+](CCF)C1 ZINC001033422717 818771593 /nfs/dbraw/zinc/77/15/93/818771593.db2.gz IKIOUTRCYFAXQQ-CHWSQXEVSA-N 2 2 271.380 0.973 20 0 CCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033595387 818843970 /nfs/dbraw/zinc/84/39/70/818843970.db2.gz SMAAKKXVBKCUJL-NSHDSACASA-N 2 2 250.346 0.515 20 0 CCADLP CC[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033595387 818843975 /nfs/dbraw/zinc/84/39/75/818843975.db2.gz SMAAKKXVBKCUJL-NSHDSACASA-N 2 2 250.346 0.515 20 0 CCADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001033704507 818892151 /nfs/dbraw/zinc/89/21/51/818892151.db2.gz VYUBXJVLDCRYCN-CYBMUJFWSA-N 2 2 262.357 0.826 20 0 CCADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001033704507 818892155 /nfs/dbraw/zinc/89/21/55/818892155.db2.gz VYUBXJVLDCRYCN-CYBMUJFWSA-N 2 2 262.357 0.826 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1nncs1 ZINC001128787260 819017664 /nfs/dbraw/zinc/01/76/64/819017664.db2.gz XWPAEQWDPAGBAN-LLVKDONJSA-N 2 2 297.428 0.618 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1nncs1 ZINC001128787260 819017666 /nfs/dbraw/zinc/01/76/66/819017666.db2.gz XWPAEQWDPAGBAN-LLVKDONJSA-N 2 2 297.428 0.618 20 0 CCADLP COc1cncc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000702629214 819154377 /nfs/dbraw/zinc/15/43/77/819154377.db2.gz RIIMQXHGWVDXCW-ZDUSSCGKSA-N 2 2 251.330 0.246 20 0 CCADLP COc1cncc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000702629214 819154379 /nfs/dbraw/zinc/15/43/79/819154379.db2.gz RIIMQXHGWVDXCW-ZDUSSCGKSA-N 2 2 251.330 0.246 20 0 CCADLP C[C@H]1CN(C(=O)C[NH+]2CCC(C)([NH3+])CC2)CCO1 ZINC000704512284 819386472 /nfs/dbraw/zinc/38/64/72/819386472.db2.gz QISOQABGLMCUBO-NSHDSACASA-N 2 2 255.362 0.047 20 0 CCADLP CC(C)[NH2+]C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001035086376 819391806 /nfs/dbraw/zinc/39/18/06/819391806.db2.gz MPDBVQDACQNUKM-LLVKDONJSA-N 2 2 250.346 0.941 20 0 CCADLP CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001035415692 819517510 /nfs/dbraw/zinc/51/75/10/819517510.db2.gz DOOWMWSXPBAZCG-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001035415692 819517512 /nfs/dbraw/zinc/51/75/12/819517512.db2.gz DOOWMWSXPBAZCG-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001035415692 819517515 /nfs/dbraw/zinc/51/75/15/819517515.db2.gz DOOWMWSXPBAZCG-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001035415692 819517519 /nfs/dbraw/zinc/51/75/19/819517519.db2.gz DOOWMWSXPBAZCG-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP CC[N@@H+]1CCO[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001035487106 819534917 /nfs/dbraw/zinc/53/49/17/819534917.db2.gz IXLHRRXBHCVQCJ-CYBMUJFWSA-N 2 2 295.383 0.792 20 0 CCADLP CC[N@H+]1CCO[C@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001035487106 819534924 /nfs/dbraw/zinc/53/49/24/819534924.db2.gz IXLHRRXBHCVQCJ-CYBMUJFWSA-N 2 2 295.383 0.792 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001036228453 819710539 /nfs/dbraw/zinc/71/05/39/819710539.db2.gz CDRZYJNROAFVRP-WDEREUQCSA-N 2 2 250.346 0.799 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[C@H]1[NH2+]CCO ZINC001036275864 819722702 /nfs/dbraw/zinc/72/27/02/819722702.db2.gz KVVHHPSZNKWNRE-TZMCWYRMSA-N 2 2 294.399 0.172 20 0 CCADLP CCOC(=O)COCC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000709812247 819810577 /nfs/dbraw/zinc/81/05/77/819810577.db2.gz XAUFDVQSBKJYMN-UHFFFAOYSA-N 2 2 272.389 0.982 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@@H]2[C@@H](CC[N@H+]2CCO)C1 ZINC001036701789 820049289 /nfs/dbraw/zinc/04/92/89/820049289.db2.gz CMLWFDHNIPEZFW-QWHCGFSZSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCO)C1 ZINC001036701789 820049299 /nfs/dbraw/zinc/04/92/99/820049299.db2.gz CMLWFDHNIPEZFW-QWHCGFSZSA-N 2 2 292.383 0.257 20 0 CCADLP C[NH2+]CCOCC[N@H+](C)Cc1nccn1C1CC1 ZINC000711733786 820075972 /nfs/dbraw/zinc/07/59/72/820075972.db2.gz VDUSVRYZLTZPPM-UHFFFAOYSA-N 2 2 252.362 0.886 20 0 CCADLP C[NH2+]CCOCC[N@@H+](C)Cc1nccn1C1CC1 ZINC000711733786 820075982 /nfs/dbraw/zinc/07/59/82/820075982.db2.gz VDUSVRYZLTZPPM-UHFFFAOYSA-N 2 2 252.362 0.886 20 0 CCADLP CO[C@@H](C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001080782361 820636487 /nfs/dbraw/zinc/63/64/87/820636487.db2.gz HXTJZZBECHTJSR-MBNYWOFBSA-N 2 2 294.399 0.434 20 0 CCADLP CO[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001080782361 820636492 /nfs/dbraw/zinc/63/64/92/820636492.db2.gz HXTJZZBECHTJSR-MBNYWOFBSA-N 2 2 294.399 0.434 20 0 CCADLP CO[C@@H]1C[N@H+](CC2CC2)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001082345742 820938711 /nfs/dbraw/zinc/93/87/11/820938711.db2.gz ZDYNLZBZWAFUHY-ZIAGYGMSSA-N 2 2 292.383 0.486 20 0 CCADLP CO[C@@H]1C[N@@H+](CC2CC2)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001082345742 820938718 /nfs/dbraw/zinc/93/87/18/820938718.db2.gz ZDYNLZBZWAFUHY-ZIAGYGMSSA-N 2 2 292.383 0.486 20 0 CCADLP CO[C@@H]1C[N@H+](CC(C)C)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082395259 820956121 /nfs/dbraw/zinc/95/61/21/820956121.db2.gz JLTKYSYDKOWRJY-CHWSQXEVSA-N 2 2 280.372 0.355 20 0 CCADLP CO[C@@H]1C[N@@H+](CC(C)C)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082395259 820956128 /nfs/dbraw/zinc/95/61/28/820956128.db2.gz JLTKYSYDKOWRJY-CHWSQXEVSA-N 2 2 280.372 0.355 20 0 CCADLP CCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001082395231 820956685 /nfs/dbraw/zinc/95/66/85/820956685.db2.gz GTFIGWYIUKUUQK-CHWSQXEVSA-N 2 2 280.372 0.499 20 0 CCADLP CC[C@H](C)C[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001083997921 821171473 /nfs/dbraw/zinc/17/14/73/821171473.db2.gz PYZHWBJMLXVLIH-GDLCADMTSA-N 2 2 294.399 0.468 20 0 CCADLP CC[C@H](C)C[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001083997921 821171477 /nfs/dbraw/zinc/17/14/77/821171477.db2.gz PYZHWBJMLXVLIH-GDLCADMTSA-N 2 2 294.399 0.468 20 0 CCADLP CN(C[C@@H]1CC[N@@H+]1CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001085822603 821971812 /nfs/dbraw/zinc/97/18/12/821971812.db2.gz LIXNOFFETLDACU-YNEHKIRRSA-N 2 2 292.383 0.049 20 0 CCADLP CN(C[C@@H]1CC[N@H+]1CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001085822603 821971822 /nfs/dbraw/zinc/97/18/22/821971822.db2.gz LIXNOFFETLDACU-YNEHKIRRSA-N 2 2 292.383 0.049 20 0 CCADLP O=C(NC[C@H]1C[C@@H]([NH2+]CCO)C1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001086194608 822149787 /nfs/dbraw/zinc/14/97/87/822149787.db2.gz HBBYKADPQGTPMU-GRYCIOLGSA-N 2 2 292.383 0.306 20 0 CCADLP O=C(NC[C@H]1C[C@H]([NH2+]CCO)C1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001086475020 822272197 /nfs/dbraw/zinc/27/21/97/822272197.db2.gz HBBYKADPQGTPMU-SRVKXCTJSA-N 2 2 292.383 0.306 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cc(N)cc(Cl)n2)CC1 ZINC001157915148 837695573 /nfs/dbraw/zinc/69/55/73/837695573.db2.gz RRSRYGZJFHTCQL-UHFFFAOYSA-N 2 2 268.752 0.911 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)[C@@H](CC)[NH+](C)C)o1 ZINC001130198206 837723443 /nfs/dbraw/zinc/72/34/43/837723443.db2.gz ZTMFWCZHULQMLK-SNVBAGLBSA-N 2 2 283.376 0.178 20 0 CCADLP CC[C@H](C(=O)NCC[NH2+]Cc1nncs1)[NH+](C)C ZINC001130205652 837727976 /nfs/dbraw/zinc/72/79/76/837727976.db2.gz RHGSSRSNKDLNKY-SECBINFHSA-N 2 2 271.390 0.084 20 0 CCADLP CCc1noc([C@@H](C)[NH2+]CCNC(=O)[C@@H](CC)[NH+](C)C)n1 ZINC001130200841 837732018 /nfs/dbraw/zinc/73/20/18/837732018.db2.gz OOLYMXXIOQAMIC-GHMZBOCLSA-N 2 2 297.403 0.739 20 0 CCADLP Cc1conc1C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001130304083 837761250 /nfs/dbraw/zinc/76/12/50/837761250.db2.gz SXHJGGXDYSUBNZ-ZDUSSCGKSA-N 2 2 280.372 0.673 20 0 CCADLP Cc1conc1C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130304083 837761256 /nfs/dbraw/zinc/76/12/56/837761256.db2.gz SXHJGGXDYSUBNZ-ZDUSSCGKSA-N 2 2 280.372 0.673 20 0 CCADLP O=C(NCC[NH2+]CC1CCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001130478038 837800705 /nfs/dbraw/zinc/80/07/05/837800705.db2.gz RBVJWUZKDSGWGU-ZDUSSCGKSA-N 2 2 276.384 0.951 20 0 CCADLP O=C(NCC[NH2+]CC1CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001130481597 837804404 /nfs/dbraw/zinc/80/44/04/837804404.db2.gz XFLNHHLKEXSPTN-LBPRGKRZSA-N 2 2 262.357 0.561 20 0 CCADLP CO[C@@H](C)C[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130481558 837806323 /nfs/dbraw/zinc/80/63/23/837806323.db2.gz WFRZIZOWXOZVID-RYUDHWBXSA-N 2 2 280.372 0.186 20 0 CCADLP COC[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130484791 837807178 /nfs/dbraw/zinc/80/71/78/837807178.db2.gz VYEMRJLJEUNEIN-NEPJUHHUSA-N 2 2 280.372 0.186 20 0 CCADLP C[C@@H](F)CC[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130484777 837809294 /nfs/dbraw/zinc/80/92/94/837809294.db2.gz VSSMADGPFYAPDY-NEPJUHHUSA-N 2 2 282.363 0.899 20 0 CCADLP CO[C@@H](C)C[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130487524 837810854 /nfs/dbraw/zinc/81/08/54/837810854.db2.gz HGUZPZDOYGAIIO-NWDGAFQWSA-N 2 2 280.372 0.186 20 0 CCADLP O=C(NCC[NH2+]CC1CCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130487915 837813076 /nfs/dbraw/zinc/81/30/76/837813076.db2.gz KZURSRZSJOJCOH-CYBMUJFWSA-N 2 2 276.384 0.951 20 0 CCADLP Cc1c(Cl)ncnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169066470 836122260 /nfs/dbraw/zinc/12/22/60/836122260.db2.gz DTNDSNZXXKCZKQ-MRVPVSSYSA-N 2 2 267.720 0.486 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cnc(C(F)(F)F)cn1 ZINC001169067407 836124327 /nfs/dbraw/zinc/12/43/27/836124327.db2.gz SHERZUZRBGLKTH-SSDOTTSWSA-N 2 2 287.245 0.543 20 0 CCADLP COCc1ccc(Cl)nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169067915 836124571 /nfs/dbraw/zinc/12/45/71/836124571.db2.gz ZZQAXQYFEHLKGN-SNVBAGLBSA-N 2 2 296.758 0.929 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccn2ccnc2c1 ZINC001169071398 836125326 /nfs/dbraw/zinc/12/53/26/836125326.db2.gz BYLNQRIPICMWJI-SNVBAGLBSA-N 2 2 257.297 0.382 20 0 CCADLP CCc1nc(Cl)c(F)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169071377 836125387 /nfs/dbraw/zinc/12/53/87/836125387.db2.gz AKZROZCZYKRSOH-SSDOTTSWSA-N 2 2 299.737 0.879 20 0 CCADLP CCOCc1cncc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1 ZINC001169075583 836128507 /nfs/dbraw/zinc/12/85/07/836128507.db2.gz IYYFTQYCXFZWFQ-GFCCVEGCSA-N 2 2 276.340 0.666 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCc3nncn3CC1)C2 ZINC001169130908 836147400 /nfs/dbraw/zinc/14/74/00/836147400.db2.gz PULYPEYVKDUDPY-ITGUQSILSA-N 2 2 261.373 0.761 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCc3nncn3CC1)C2 ZINC001169130908 836147405 /nfs/dbraw/zinc/14/74/05/836147405.db2.gz PULYPEYVKDUDPY-ITGUQSILSA-N 2 2 261.373 0.761 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCc3nncn3CC1)C2 ZINC001169130908 836147408 /nfs/dbraw/zinc/14/74/08/836147408.db2.gz PULYPEYVKDUDPY-ITGUQSILSA-N 2 2 261.373 0.761 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCc3nncn3CC1)C2 ZINC001169130908 836147412 /nfs/dbraw/zinc/14/74/12/836147412.db2.gz PULYPEYVKDUDPY-ITGUQSILSA-N 2 2 261.373 0.761 20 0 CCADLP C[C@H]1C[C@@H](C[NH2+]CCCNC(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001169204524 836168236 /nfs/dbraw/zinc/16/82/36/836168236.db2.gz NPPOFUCTJWVIIX-STQMWFEESA-N 2 2 294.399 0.863 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNc1ccc2c(n1)OCC[NH2+]C2 ZINC001169651104 836404987 /nfs/dbraw/zinc/40/49/87/836404987.db2.gz LGUDRCQIQLGWRY-LBPRGKRZSA-N 2 2 278.356 0.306 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNc1ccc2c(n1)OCC[NH2+]C2 ZINC001169651104 836404991 /nfs/dbraw/zinc/40/49/91/836404991.db2.gz LGUDRCQIQLGWRY-LBPRGKRZSA-N 2 2 278.356 0.306 20 0 CCADLP [NH3+]Cc1ccn(-c2cc[nH+]c(N3CCC([NH3+])CC3)n2)c1 ZINC001169723131 836431233 /nfs/dbraw/zinc/43/12/33/836431233.db2.gz NWZUQMXJQGNNIU-UHFFFAOYSA-N 3 2 272.356 0.654 20 0 CCADLP Cc1nc(N(C)C[C@@H](C)NC(=O)CC[NH+](C)C)cc[nH+]1 ZINC001109230133 836642098 /nfs/dbraw/zinc/64/20/98/836642098.db2.gz RIIIVRYAQOJGGV-LLVKDONJSA-N 2 2 279.388 0.678 20 0 CCADLP C[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001109222946 836642753 /nfs/dbraw/zinc/64/27/53/836642753.db2.gz IVUBZCOMNXPEHB-NDBYEHHHSA-N 2 2 292.383 0.445 20 0 CCADLP C[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001109222946 836642759 /nfs/dbraw/zinc/64/27/59/836642759.db2.gz IVUBZCOMNXPEHB-NDBYEHHHSA-N 2 2 292.383 0.445 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO ZINC001109385010 836667686 /nfs/dbraw/zinc/66/76/86/836667686.db2.gz XCRAIHMSOHXCMJ-AGIUHOORSA-N 2 2 278.356 0.056 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001109385010 836667692 /nfs/dbraw/zinc/66/76/92/836667692.db2.gz XCRAIHMSOHXCMJ-AGIUHOORSA-N 2 2 278.356 0.056 20 0 CCADLP CC(C)COCC[NH+]1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001113300442 837080446 /nfs/dbraw/zinc/08/04/46/837080446.db2.gz WAUGLALDCHXUEP-UHFFFAOYSA-N 2 2 285.432 0.755 20 0 CCADLP [NH3+]C1(C(=O)N2CCc3cnccc3C2)CC[NH2+]CC1 ZINC001157566408 837130071 /nfs/dbraw/zinc/13/00/71/837130071.db2.gz BRGGKHRMRNYTHW-UHFFFAOYSA-N 2 2 260.341 0.047 20 0 CCADLP COCCCC[NH+]1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001113725915 837204661 /nfs/dbraw/zinc/20/46/61/837204661.db2.gz MTGRRWRMWXSFIW-UHFFFAOYSA-N 2 2 280.372 0.454 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C[NH2+]CCO ZINC001184532526 844252918 /nfs/dbraw/zinc/25/29/18/844252918.db2.gz AMGNBUJSOGJHEX-OLZOCXBDSA-N 2 2 294.399 0.409 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C[NH2+]CCO ZINC001184532526 844252931 /nfs/dbraw/zinc/25/29/31/844252931.db2.gz AMGNBUJSOGJHEX-OLZOCXBDSA-N 2 2 294.399 0.409 20 0 CCADLP Cc1nc(NC[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])cc[nH+]1 ZINC001170277376 837289316 /nfs/dbraw/zinc/28/93/16/837289316.db2.gz OOTOIGFBHDNFNX-NQBHXWOUSA-N 2 2 266.345 0.922 20 0 CCADLP CC(C)(C)c1ccnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158204894 837977682 /nfs/dbraw/zinc/97/76/82/837977682.db2.gz UMWPUOTYQQJEIV-SNVBAGLBSA-N 2 2 275.356 0.822 20 0 CCADLP C[C@@H](O)C[NH2+]CCNC(=O)c1cccc2[nH+]ccn21 ZINC001131270520 838031197 /nfs/dbraw/zinc/03/11/97/838031197.db2.gz MIMLACAPBCVPFC-SNVBAGLBSA-N 2 2 262.313 0.035 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([NH+]2CC(N3CC[NH+](C)CC3)C2)C1 ZINC001170562894 838115198 /nfs/dbraw/zinc/11/51/98/838115198.db2.gz FPEFBIZPOUZRCF-CHWSQXEVSA-N 2 2 281.400 0.260 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]CCC1CC1 ZINC001131652210 838168435 /nfs/dbraw/zinc/16/84/35/838168435.db2.gz DHYPNJSDBHVJKE-UHFFFAOYSA-N 2 2 264.373 0.859 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC[NH2+]CCC1CC1 ZINC001131822496 838230005 /nfs/dbraw/zinc/23/00/05/838230005.db2.gz PVOPCFFJVLWTTM-OAHLLOKOSA-N 2 2 297.443 0.993 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC[NH2+]CCC1CC1 ZINC001131822496 838230016 /nfs/dbraw/zinc/23/00/16/838230016.db2.gz PVOPCFFJVLWTTM-OAHLLOKOSA-N 2 2 297.443 0.993 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC[NH2+]CCF ZINC001131822661 838232206 /nfs/dbraw/zinc/23/22/06/838232206.db2.gz RKQLPYBZCHVCDU-LBPRGKRZSA-N 2 2 275.368 0.163 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC[NH2+]CCF ZINC001131822661 838232212 /nfs/dbraw/zinc/23/22/12/838232212.db2.gz RKQLPYBZCHVCDU-LBPRGKRZSA-N 2 2 275.368 0.163 20 0 CCADLP C[C@H]1CC[C@H](C[NH2+]CCNC(=O)CCn2cc[nH+]c2)O1 ZINC001132082975 838313984 /nfs/dbraw/zinc/31/39/84/838313984.db2.gz ZLKVSKGSWGRWJO-QWHCGFSZSA-N 2 2 280.372 0.547 20 0 CCADLP C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C[NH2+]CCO ZINC001132874418 838511761 /nfs/dbraw/zinc/51/17/61/838511761.db2.gz HWDOVRZLLYZPBV-CHWSQXEVSA-N 2 2 294.399 0.409 20 0 CCADLP C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCO ZINC001132874418 838511765 /nfs/dbraw/zinc/51/17/65/838511765.db2.gz HWDOVRZLLYZPBV-CHWSQXEVSA-N 2 2 294.399 0.409 20 0 CCADLP C[NH+](C)CCCC(=O)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001133040281 838539066 /nfs/dbraw/zinc/53/90/66/838539066.db2.gz JOXVRUHGBKXKMR-UHFFFAOYSA-N 2 2 295.387 0.495 20 0 CCADLP C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C[NH2+]CCO ZINC001133135627 838560293 /nfs/dbraw/zinc/56/02/93/838560293.db2.gz VARMXVGGNTYLQO-RYUDHWBXSA-N 2 2 280.372 0.019 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)C2CC[NH+](C)CC2)o1 ZINC001133281689 838585096 /nfs/dbraw/zinc/58/50/96/838585096.db2.gz HWHAJBOXLUKHSD-SNVBAGLBSA-N 2 2 295.387 0.487 20 0 CCADLP C[NH+](C)CCC(=O)NCC[NH2+]Cc1nc(C(C)(C)C)no1 ZINC001133294433 838590816 /nfs/dbraw/zinc/59/08/16/838590816.db2.gz ISJIEROSGGYSLY-UHFFFAOYSA-N 2 2 297.403 0.525 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)CC[NH+](C)C)o1 ZINC001133294826 838592750 /nfs/dbraw/zinc/59/27/50/838592750.db2.gz WDFIJVTUQQYUEQ-UHFFFAOYSA-N 2 2 268.361 0.395 20 0 CCADLP C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C[NH2+]CCF ZINC001133353490 838609500 /nfs/dbraw/zinc/60/95/00/838609500.db2.gz CQIUIYWKWJKCEG-OLZOCXBDSA-N 2 2 282.363 0.927 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)C[N@H+]2CC[C@H](C)C2)o1 ZINC001133853664 838741419 /nfs/dbraw/zinc/74/14/19/838741419.db2.gz NSYGAWWZHGQUFN-NSHDSACASA-N 2 2 280.372 0.531 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)C[N@@H+]2CC[C@H](C)C2)o1 ZINC001133853664 838741428 /nfs/dbraw/zinc/74/14/28/838741428.db2.gz NSYGAWWZHGQUFN-NSHDSACASA-N 2 2 280.372 0.531 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)oc1C ZINC001133866735 838759534 /nfs/dbraw/zinc/75/95/34/838759534.db2.gz OJMGANAUTDOWST-GXFFZTMASA-N 2 2 294.399 0.695 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)oc1C ZINC001133866735 838759538 /nfs/dbraw/zinc/75/95/38/838759538.db2.gz OJMGANAUTDOWST-GXFFZTMASA-N 2 2 294.399 0.695 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)o1 ZINC001133870967 838763844 /nfs/dbraw/zinc/76/38/44/838763844.db2.gz YAPPMMYLFARFEK-QWRGUYRKSA-N 2 2 295.387 0.036 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)o1 ZINC001133870967 838763848 /nfs/dbraw/zinc/76/38/48/838763848.db2.gz YAPPMMYLFARFEK-QWRGUYRKSA-N 2 2 295.387 0.036 20 0 CCADLP C[C@H](F)CC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134049316 838844700 /nfs/dbraw/zinc/84/47/00/838844700.db2.gz BHANLKINRIDYHU-QJPTWQEYSA-N 2 2 282.363 0.978 20 0 CCADLP CC(C)NC(=O)NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001202529905 848070459 /nfs/dbraw/zinc/07/04/59/848070459.db2.gz QSCKWUPIMOMMLD-UHFFFAOYSA-N 2 2 256.394 0.720 20 0 CCADLP C[C@H](CC(=O)NCC[NH2+]C[C@@H]1CCCOC1)n1cc[nH+]c1 ZINC001134498930 838994824 /nfs/dbraw/zinc/99/48/24/838994824.db2.gz RYGJIWMUENBEGO-KGLIPLIRSA-N 2 2 294.399 0.967 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCO ZINC001134732796 839065569 /nfs/dbraw/zinc/06/55/69/839065569.db2.gz OGTSBMZWMJYJFT-NEPJUHHUSA-N 2 2 295.383 0.498 20 0 CCADLP C[NH+]1CCC(CC(=O)NCC[NH2+]Cc2cnon2)CC1 ZINC001134780777 839072671 /nfs/dbraw/zinc/07/26/71/839072671.db2.gz WEPJOTQFNROTOD-UHFFFAOYSA-N 2 2 281.360 0.007 20 0 CCADLP C[C@H](C[C@H](C)NC(=O)CCc1[nH+]ccn1C)[NH2+]CCO ZINC001135057164 839143375 /nfs/dbraw/zinc/14/33/75/839143375.db2.gz RTOQNGWIARFNHH-NEPJUHHUSA-N 2 2 282.388 0.218 20 0 CCADLP COCCC[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001135071742 839151906 /nfs/dbraw/zinc/15/19/06/839151906.db2.gz JOEFEZCXFMQSOZ-NSHDSACASA-N 2 2 268.361 0.331 20 0 CCADLP COCCC[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001135071742 839151907 /nfs/dbraw/zinc/15/19/07/839151907.db2.gz JOEFEZCXFMQSOZ-NSHDSACASA-N 2 2 268.361 0.331 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CC[C@H]1CCOC1 ZINC001135080445 839157725 /nfs/dbraw/zinc/15/77/25/839157725.db2.gz UCYOQBPZMXPLBB-STQMWFEESA-N 2 2 294.399 0.721 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]CC[C@H]1CCOC1 ZINC001135080445 839157739 /nfs/dbraw/zinc/15/77/39/839157739.db2.gz UCYOQBPZMXPLBB-STQMWFEESA-N 2 2 294.399 0.721 20 0 CCADLP C[C@@H](C[C@H](C)[NH2+]CCCO)NC(=O)CCn1cc[nH+]c1 ZINC001135137334 839168669 /nfs/dbraw/zinc/16/86/69/839168669.db2.gz OXWHVTRLBCYNMV-STQMWFEESA-N 2 2 282.388 0.529 20 0 CCADLP C[C@H](C[C@@H](C)[NH2+]CCF)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135553043 839294947 /nfs/dbraw/zinc/29/49/47/839294947.db2.gz OPPTVAORSIKMPG-NXEZZACHSA-N 2 2 256.325 0.795 20 0 CCADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001185586446 844434240 /nfs/dbraw/zinc/43/42/40/844434240.db2.gz MWBFIPCKAFDTLB-NEPJUHHUSA-N 2 2 292.383 0.403 20 0 CCADLP COC(=O)c1c[nH+]c(N[C@@H]([NH3+])CCC[NH3+])c2ccn(C)c21 ZINC001170897968 839542574 /nfs/dbraw/zinc/54/25/74/839542574.db2.gz KNMQNFHIGBYPHQ-LLVKDONJSA-N 3 2 291.355 0.796 20 0 CCADLP [NH3+][C@]12CC[C@H]1C[N@H+](C[C@H](O)COc1ccccc1)C2 ZINC001246048459 839586696 /nfs/dbraw/zinc/58/66/96/839586696.db2.gz XHXKAFZEBUVWEB-YDHLFZDLSA-N 2 2 262.353 0.849 20 0 CCADLP [NH3+][C@]12CC[C@H]1C[N@@H+](C[C@H](O)COc1ccccc1)C2 ZINC001246048459 839586700 /nfs/dbraw/zinc/58/67/00/839586700.db2.gz XHXKAFZEBUVWEB-YDHLFZDLSA-N 2 2 262.353 0.849 20 0 CCADLP CC(C)(C)OC(=O)[C@H](O)C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001246057674 839588023 /nfs/dbraw/zinc/58/80/23/839588023.db2.gz BZKZVSIMDKICJA-JHJVBQTASA-N 2 2 284.400 0.763 20 0 CCADLP CC(C)(C)OC(=O)[C@H](O)C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001246057674 839588032 /nfs/dbraw/zinc/58/80/32/839588032.db2.gz BZKZVSIMDKICJA-JHJVBQTASA-N 2 2 284.400 0.763 20 0 CCADLP CCCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090848383 839852188 /nfs/dbraw/zinc/85/21/88/839852188.db2.gz FVQWPCYAQXVERW-OLZOCXBDSA-N 2 2 280.372 0.235 20 0 CCADLP CCCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090848383 839852194 /nfs/dbraw/zinc/85/21/94/839852194.db2.gz FVQWPCYAQXVERW-OLZOCXBDSA-N 2 2 280.372 0.235 20 0 CCADLP Cn1cc[nH+]c1CCNC(=O)CC1CC[NH+](C)CC1 ZINC001143366805 839864265 /nfs/dbraw/zinc/86/42/65/839864265.db2.gz LRDAZGOVPMTFFN-UHFFFAOYSA-N 2 2 264.373 0.811 20 0 CCADLP CC[C@@]1(C(=O)OC)C[C@H](N[C@@H]2C[NH2+]C[C@H](C)C2)C[NH2+]1 ZINC001246497710 839875752 /nfs/dbraw/zinc/87/57/52/839875752.db2.gz PLYDCLFNVJKVNZ-UHXUPSOCSA-N 2 2 269.389 0.258 20 0 CCADLP CC[NH2+]C1CC(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001091107027 840051707 /nfs/dbraw/zinc/05/17/07/840051707.db2.gz ZZHRXLCMVJNBRX-CPCZMJQVSA-N 2 2 276.384 0.950 20 0 CCADLP O=C1CCC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@H]1F ZINC001246569997 840059028 /nfs/dbraw/zinc/05/90/28/840059028.db2.gz YGHSUDLDPCUMIW-GHMZBOCLSA-N 2 2 255.337 0.083 20 0 CCADLP O=C1CCC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@H]1F ZINC001246569997 840059036 /nfs/dbraw/zinc/05/90/36/840059036.db2.gz YGHSUDLDPCUMIW-GHMZBOCLSA-N 2 2 255.337 0.083 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]Cc1cccnc1 ZINC001171238506 840179144 /nfs/dbraw/zinc/17/91/44/840179144.db2.gz QSZUAQQHIKKVEH-UHFFFAOYSA-N 2 2 287.367 0.654 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCN(c3cncnc3)CC2)CC[NH2+]1 ZINC001246866922 840354845 /nfs/dbraw/zinc/35/48/45/840354845.db2.gz GLYXXECKZSHZAC-CHWSQXEVSA-N 2 2 261.373 0.739 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)[C@H]1CCC[N@H+](C)C1 ZINC001186364562 844544263 /nfs/dbraw/zinc/54/42/63/844544263.db2.gz PUWFNLWXDFNHQS-LBPRGKRZSA-N 2 2 280.372 0.488 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)[C@H]1CCC[N@@H+](C)C1 ZINC001186364562 844544269 /nfs/dbraw/zinc/54/42/69/844544269.db2.gz PUWFNLWXDFNHQS-LBPRGKRZSA-N 2 2 280.372 0.488 20 0 CCADLP C1[C@@H]2C[NH2+]C[C@@H]2[N@@H+]1C1CCC([NH+]2CCOCC2)CC1 ZINC001246916920 840524254 /nfs/dbraw/zinc/52/42/54/840524254.db2.gz JMPJZQJQLZUFPV-PPWQZUPISA-N 3 2 265.401 0.533 20 0 CCADLP C1[C@@H]2C[NH2+]C[C@@H]2[N@H+]1C1CCC([NH+]2CCOCC2)CC1 ZINC001246916920 840524261 /nfs/dbraw/zinc/52/42/61/840524261.db2.gz JMPJZQJQLZUFPV-PPWQZUPISA-N 3 2 265.401 0.533 20 0 CCADLP FC(F)(F)CN1CCC([N@@H+]2C[C@@H]3C[NH2+]C[C@H]32)CC1 ZINC001246922771 840544401 /nfs/dbraw/zinc/54/44/01/840544401.db2.gz WZCBXCVJGPTDON-GXSJLCMTSA-N 2 2 263.307 0.917 20 0 CCADLP FC(F)(F)CN1CCC([N@H+]2C[C@@H]3C[NH2+]C[C@H]32)CC1 ZINC001246922771 840544408 /nfs/dbraw/zinc/54/44/08/840544408.db2.gz WZCBXCVJGPTDON-GXSJLCMTSA-N 2 2 263.307 0.917 20 0 CCADLP Cc1cnc([C@@H](C)[NH2+]CCNC(=O)COCC[NH+](C)C)o1 ZINC001147847906 840699355 /nfs/dbraw/zinc/69/93/55/840699355.db2.gz ABIBOCQNBNXORT-GFCCVEGCSA-N 2 2 298.387 0.328 20 0 CCADLP CCOCCC[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147908564 840720229 /nfs/dbraw/zinc/72/02/29/840720229.db2.gz YODMMZVXYUDXIR-UHFFFAOYSA-N 2 2 268.361 0.095 20 0 CCADLP C[NH+](C)CCCCC(=O)NCC[NH2+]Cc1ncccn1 ZINC001148359757 840792848 /nfs/dbraw/zinc/79/28/48/840792848.db2.gz CAPXODMEGOZIOE-UHFFFAOYSA-N 2 2 279.388 0.414 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)CCCC[NH+](C)C)o1 ZINC001148365752 840794321 /nfs/dbraw/zinc/79/43/21/840794321.db2.gz YNUVKLLYZHXNPL-LLVKDONJSA-N 2 2 297.403 0.877 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@H]1CC2(CO1)CCOCC2 ZINC000712626931 841101914 /nfs/dbraw/zinc/10/19/14/841101914.db2.gz ZEUZVMBXPCBLOI-FRRDWIJNSA-N 2 2 254.374 0.994 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@H]1CC2(CO1)CCOCC2 ZINC000712626931 841101917 /nfs/dbraw/zinc/10/19/17/841101917.db2.gz ZEUZVMBXPCBLOI-FRRDWIJNSA-N 2 2 254.374 0.994 20 0 CCADLP [NH3+]CC12CC(C1)C[N@@H+]2C[C@@H]1CC2(CO1)CCOCC2 ZINC000712629098 841102255 /nfs/dbraw/zinc/10/22/55/841102255.db2.gz VMZAFEKAHSEVTF-OWYJLGKBSA-N 2 2 266.385 0.995 20 0 CCADLP [NH3+]CC12CC(C1)C[N@H+]2C[C@@H]1CC2(CO1)CCOCC2 ZINC000712629098 841102258 /nfs/dbraw/zinc/10/22/58/841102258.db2.gz VMZAFEKAHSEVTF-OWYJLGKBSA-N 2 2 266.385 0.995 20 0 CCADLP CC[N@@H+]1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001036854573 841400389 /nfs/dbraw/zinc/40/03/89/841400389.db2.gz NORMBUYLCDFSLU-RYUDHWBXSA-N 2 2 262.357 0.895 20 0 CCADLP CC[N@H+]1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001036854573 841400394 /nfs/dbraw/zinc/40/03/94/841400394.db2.gz NORMBUYLCDFSLU-RYUDHWBXSA-N 2 2 262.357 0.895 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CC(=O)N(CC2CC2)C1 ZINC000716774867 841679494 /nfs/dbraw/zinc/67/94/94/841679494.db2.gz XFHPCQFOFQPKTE-WCFLWFBJSA-N 2 2 251.374 0.727 20 0 CCADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCO[C@@H](C(N)=O)C1)C2 ZINC001172128096 841836351 /nfs/dbraw/zinc/83/63/51/841836351.db2.gz ONNNCBQDOMOKDH-YVECIDJPSA-N 2 2 267.373 0.188 20 0 CCADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCO[C@@H](C(N)=O)C1)C2 ZINC001172128096 841836360 /nfs/dbraw/zinc/83/63/60/841836360.db2.gz ONNNCBQDOMOKDH-YVECIDJPSA-N 2 2 267.373 0.188 20 0 CCADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCO[C@@H](C(N)=O)C1)C2 ZINC001172128096 841836368 /nfs/dbraw/zinc/83/63/68/841836368.db2.gz ONNNCBQDOMOKDH-YVECIDJPSA-N 2 2 267.373 0.188 20 0 CCADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCO[C@@H](C(N)=O)C1)C2 ZINC001172128096 841836373 /nfs/dbraw/zinc/83/63/73/841836373.db2.gz ONNNCBQDOMOKDH-YVECIDJPSA-N 2 2 267.373 0.188 20 0 CCADLP COCCC[NH+]1CCC([N@@H+]2CCO[C@@]3(CCOC3)C2)CC1 ZINC001172252503 841911955 /nfs/dbraw/zinc/91/19/55/841911955.db2.gz OQSIGHDQDRWGMK-INIZCTEOSA-N 2 2 298.427 0.979 20 0 CCADLP COCCC[NH+]1CCC([N@H+]2CCO[C@@]3(CCOC3)C2)CC1 ZINC001172252503 841911959 /nfs/dbraw/zinc/91/19/59/841911959.db2.gz OQSIGHDQDRWGMK-INIZCTEOSA-N 2 2 298.427 0.979 20 0 CCADLP CC(=O)c1ccc(-c2noc(C[C@@H]([NH3+])C[NH3+])n2)cc1 ZINC001249129725 842028898 /nfs/dbraw/zinc/02/88/98/842028898.db2.gz SBHDJDZCWAXIMX-LLVKDONJSA-N 2 2 260.297 0.768 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCF ZINC001095242252 842123092 /nfs/dbraw/zinc/12/30/92/842123092.db2.gz JZFNKDIYVMKIME-MROQNXINSA-N 2 2 269.364 0.772 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCF ZINC001095242252 842123097 /nfs/dbraw/zinc/12/30/97/842123097.db2.gz JZFNKDIYVMKIME-MROQNXINSA-N 2 2 269.364 0.772 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCF ZINC001095242252 842123100 /nfs/dbraw/zinc/12/31/00/842123100.db2.gz JZFNKDIYVMKIME-MROQNXINSA-N 2 2 269.364 0.772 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173735563 842134341 /nfs/dbraw/zinc/13/43/41/842134341.db2.gz UKWDIYULUKASDF-RWMBFGLXSA-N 2 2 264.377 0.841 20 0 CCADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173735563 842134346 /nfs/dbraw/zinc/13/43/46/842134346.db2.gz UKWDIYULUKASDF-RWMBFGLXSA-N 2 2 264.377 0.841 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]Cc1ccnn1C ZINC001174682275 842199854 /nfs/dbraw/zinc/19/98/54/842199854.db2.gz JBSPQHKMTYXBCE-UHFFFAOYSA-N 2 2 290.371 0.290 20 0 CCADLP CO[C@H](C)C[NH2+]CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001174684109 842201289 /nfs/dbraw/zinc/20/12/89/842201289.db2.gz ZRZBLVLRMZZMSF-SNVBAGLBSA-N 2 2 268.361 0.391 20 0 CCADLP C[C@H](O)C[NH2+]CCCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001177063737 842498987 /nfs/dbraw/zinc/49/89/87/842498987.db2.gz CNEDHPFZZNIEAM-GXTWGEPZSA-N 2 2 294.399 0.161 20 0 CCADLP Cc1cnc(C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)o1 ZINC001177401969 842577056 /nfs/dbraw/zinc/57/70/56/842577056.db2.gz YUAGRODFZVQIEE-UHFFFAOYSA-N 2 2 277.328 0.476 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]CCC[C@@H]1CCOC1 ZINC001177405121 842578952 /nfs/dbraw/zinc/57/89/52/842578952.db2.gz KPUHLSVTCPSTGD-CQSZACIVSA-N 2 2 294.399 0.796 20 0 CCADLP CC(C)COCC[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177404588 842579234 /nfs/dbraw/zinc/57/92/34/842579234.db2.gz FGFLDVLUFUIINQ-UHFFFAOYSA-N 2 2 282.388 0.652 20 0 CCADLP Cc1nnsc1C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177406383 842580302 /nfs/dbraw/zinc/58/03/02/842580302.db2.gz WKOARUSFXZMKAM-UHFFFAOYSA-N 2 2 294.384 0.339 20 0 CCADLP CN(CC(=O)N1CC[N@@H+]2CC[C@H]2C1)c1cccc[nH+]1 ZINC001177412262 842585455 /nfs/dbraw/zinc/58/54/55/842585455.db2.gz NMZYGUYGWJTMIZ-LBPRGKRZSA-N 2 2 260.341 0.434 20 0 CCADLP CN(CC(=O)N1CC[N@H+]2CC[C@H]2C1)c1cccc[nH+]1 ZINC001177412262 842585461 /nfs/dbraw/zinc/58/54/61/842585461.db2.gz NMZYGUYGWJTMIZ-LBPRGKRZSA-N 2 2 260.341 0.434 20 0 CCADLP C[C@H](C(=O)N1C[C@H]2[C@H](C1)CCC[N@@H+]2C)n1cc[nH+]c1 ZINC001177925452 842711781 /nfs/dbraw/zinc/71/17/81/842711781.db2.gz JQYCANFCQAKEAP-AGIUHOORSA-N 2 2 262.357 0.997 20 0 CCADLP C[C@H](C(=O)N1C[C@H]2[C@H](C1)CCC[N@H+]2C)n1cc[nH+]c1 ZINC001177925452 842711783 /nfs/dbraw/zinc/71/17/83/842711783.db2.gz JQYCANFCQAKEAP-AGIUHOORSA-N 2 2 262.357 0.997 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCCCCCC[NH2+]CCCO ZINC001178349572 842817503 /nfs/dbraw/zinc/81/75/03/842817503.db2.gz FMIDLMFGIJKIKV-UHFFFAOYSA-N 2 2 296.415 0.991 20 0 CCADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@H]1C[NH+]2CCC1CC2 ZINC001179900561 843074961 /nfs/dbraw/zinc/07/49/61/843074961.db2.gz VTEKYPDOMIADEV-YLSAJCSVSA-N 2 2 293.411 0.333 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001179929114 843083270 /nfs/dbraw/zinc/08/32/70/843083270.db2.gz CONMAQYAQRTPGF-DYEKYZERSA-N 2 2 294.399 0.577 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001180760546 843285410 /nfs/dbraw/zinc/28/54/10/843285410.db2.gz WJYKPBIKYCVCOO-GFCCVEGCSA-N 2 2 269.389 0.260 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001180760546 843285417 /nfs/dbraw/zinc/28/54/17/843285417.db2.gz WJYKPBIKYCVCOO-GFCCVEGCSA-N 2 2 269.389 0.260 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCCC[C@@H]2C[NH+]2CCCC2)C1 ZINC001180761437 843289338 /nfs/dbraw/zinc/28/93/38/843289338.db2.gz ZBJCWQXDASVKJJ-CABCVRRESA-N 2 2 295.427 0.794 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CCCC[C@@H]2C[NH+]2CCCC2)C1 ZINC001180761437 843289347 /nfs/dbraw/zinc/28/93/47/843289347.db2.gz ZBJCWQXDASVKJJ-CABCVRRESA-N 2 2 295.427 0.794 20 0 CCADLP C[N@H+]1C[C@H]2CN(C(=O)Cc3cc[nH+]c(N)c3)C[C@H]2C1 ZINC001181257818 843449662 /nfs/dbraw/zinc/44/96/62/843449662.db2.gz WGLGRLKLTFMXEW-TXEJJXNPSA-N 2 2 260.341 0.226 20 0 CCADLP C[N@@H+]1C[C@H]2CN(C(=O)Cc3cc[nH+]c(N)c3)C[C@H]2C1 ZINC001181257818 843449668 /nfs/dbraw/zinc/44/96/68/843449668.db2.gz WGLGRLKLTFMXEW-TXEJJXNPSA-N 2 2 260.341 0.226 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](C(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC001181981763 843659422 /nfs/dbraw/zinc/65/94/22/843659422.db2.gz ASOIRTGMANOTPN-KBPBESRZSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)[N@H+]1CC[C@H](C(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC001181981763 843659427 /nfs/dbraw/zinc/65/94/27/843659427.db2.gz ASOIRTGMANOTPN-KBPBESRZSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)[NH+]1CC[C@H](C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001181981763 843659434 /nfs/dbraw/zinc/65/94/34/843659434.db2.gz ASOIRTGMANOTPN-KBPBESRZSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)[NH+]1CC[C@H](C(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC001181981763 843659436 /nfs/dbraw/zinc/65/94/36/843659436.db2.gz ASOIRTGMANOTPN-KBPBESRZSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001182017862 843695184 /nfs/dbraw/zinc/69/51/84/843695184.db2.gz SIUKYINLVBIPSC-TZMCWYRMSA-N 2 2 281.400 0.165 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001182017862 843695188 /nfs/dbraw/zinc/69/51/88/843695188.db2.gz SIUKYINLVBIPSC-TZMCWYRMSA-N 2 2 281.400 0.165 20 0 CCADLP CC(C)OCC[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001182220939 843757660 /nfs/dbraw/zinc/75/76/60/843757660.db2.gz QSAGWEGSLDIYEF-CYBMUJFWSA-N 2 2 294.399 0.958 20 0 CCADLP COCCCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001187420185 844721401 /nfs/dbraw/zinc/72/14/01/844721401.db2.gz DFAFPVTVPBHRQY-CYBMUJFWSA-N 2 2 294.399 0.878 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001188353443 844881475 /nfs/dbraw/zinc/88/14/75/844881475.db2.gz DMYZRVHIAYJEHP-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP COC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189873188 845243999 /nfs/dbraw/zinc/24/39/99/845243999.db2.gz CQVZOQSVNCRFQC-STQMWFEESA-N 2 2 294.399 0.910 20 0 CCADLP COC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189873188 845244010 /nfs/dbraw/zinc/24/40/10/845244010.db2.gz CQVZOQSVNCRFQC-STQMWFEESA-N 2 2 294.399 0.910 20 0 CCADLP N=c1cc(C[NH3+])ncn1C(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190107261 845323103 /nfs/dbraw/zinc/32/31/03/845323103.db2.gz PDFZBZLAFSHQDU-UHFFFAOYSA-N 2 2 294.318 0.695 20 0 CCADLP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1c(O)ccc(F)c1F ZINC001192768599 845905383 /nfs/dbraw/zinc/90/53/83/845905383.db2.gz DXHFCZAJBXWXKG-UHFFFAOYSA-N 2 2 286.282 0.745 20 0 CCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O)[NH+](C)C ZINC001194102963 846221872 /nfs/dbraw/zinc/22/18/72/846221872.db2.gz QXPFSFMFDIWSBX-HATMAXAFSA-N 2 2 289.807 0.240 20 0 CCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O)[NH+](C)C ZINC001194102963 846221881 /nfs/dbraw/zinc/22/18/81/846221881.db2.gz QXPFSFMFDIWSBX-HATMAXAFSA-N 2 2 289.807 0.240 20 0 CCADLP C[C@@H](O)CCC[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194449846 846291134 /nfs/dbraw/zinc/29/11/34/846291134.db2.gz XOFBIXOTKBRDGC-KGLIPLIRSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@@H](O)CCC[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194449846 846291144 /nfs/dbraw/zinc/29/11/44/846291144.db2.gz XOFBIXOTKBRDGC-KGLIPLIRSA-N 2 2 294.399 0.577 20 0 CCADLP C[N@H+](CCCO)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194448757 846291776 /nfs/dbraw/zinc/29/17/76/846291776.db2.gz LHBABKODTLAKHS-CQSZACIVSA-N 2 2 294.399 0.578 20 0 CCADLP C[N@@H+](CCCO)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194448757 846291788 /nfs/dbraw/zinc/29/17/88/846291788.db2.gz LHBABKODTLAKHS-CQSZACIVSA-N 2 2 294.399 0.578 20 0 CCADLP CC[N@H+](C)C(C)(C)C(=O)N1CCC[NH+]([C@H](C)C(N)=O)CC1 ZINC001196341951 846728425 /nfs/dbraw/zinc/72/84/25/846728425.db2.gz SYNYUJZCWBAUTK-GFCCVEGCSA-N 2 2 298.431 0.125 20 0 CCADLP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[NH+]([C@H](C)C(N)=O)CC1 ZINC001196341951 846728460 /nfs/dbraw/zinc/72/84/60/846728460.db2.gz SYNYUJZCWBAUTK-GFCCVEGCSA-N 2 2 298.431 0.125 20 0 CCADLP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC001196341951 846728478 /nfs/dbraw/zinc/72/84/78/846728478.db2.gz SYNYUJZCWBAUTK-GFCCVEGCSA-N 2 2 298.431 0.125 20 0 CCADLP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC001196341951 846728491 /nfs/dbraw/zinc/72/84/91/846728491.db2.gz SYNYUJZCWBAUTK-GFCCVEGCSA-N 2 2 298.431 0.125 20 0 CCADLP O=C1N(C2COC2)CC[C@]12CCC[N@@H+]2CCn1cc[nH+]c1 ZINC001273785496 847416502 /nfs/dbraw/zinc/41/65/02/847416502.db2.gz SWDMNPSYFKQZMY-OAHLLOKOSA-N 2 2 290.367 0.349 20 0 CCADLP O=C1N(C2COC2)CC[C@]12CCC[N@H+]2CCn1cc[nH+]c1 ZINC001273785496 847416504 /nfs/dbraw/zinc/41/65/04/847416504.db2.gz SWDMNPSYFKQZMY-OAHLLOKOSA-N 2 2 290.367 0.349 20 0 CCADLP C[NH+](C)CCN1CC[C@@]2(CC[N@@H+](CC(F)F)C2)C1=O ZINC001273844894 847658056 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Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)n(C)n1 ZINC001205936026 847859583 /nfs/dbraw/zinc/85/95/83/847859583.db2.gz ZFPXNFFDZIWIDT-CYBMUJFWSA-N 2 2 293.415 0.371 20 0 CCADLP COc1cccc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2)n1 ZINC001153487749 848010903 /nfs/dbraw/zinc/01/09/03/848010903.db2.gz MFQNLCKJEMYJBB-UHFFFAOYSA-N 2 2 289.339 0.193 20 0 CCADLP COc1ncccc1C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153487977 848011220 /nfs/dbraw/zinc/01/12/20/848011220.db2.gz XJZOKRMNVWKWTI-UHFFFAOYSA-N 2 2 289.339 0.193 20 0 CCADLP Cc1cc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2)on1 ZINC001153487575 848011250 /nfs/dbraw/zinc/01/12/50/848011250.db2.gz FUJPFAFZZYIXJK-UHFFFAOYSA-N 2 2 263.301 0.086 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1[C@H]2C[N@@H+](CCCF)C[C@H]21 ZINC001114384276 848030831 /nfs/dbraw/zinc/03/08/31/848030831.db2.gz HQTVQIHWMPVMJM-IMRBUKKESA-N 2 2 280.347 0.748 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1[C@H]2C[N@H+](CCCF)C[C@H]21 ZINC001114384276 848030838 /nfs/dbraw/zinc/03/08/38/848030838.db2.gz HQTVQIHWMPVMJM-IMRBUKKESA-N 2 2 280.347 0.748 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1[C@H]2C[N@@H+](CCCF)C[C@H]21 ZINC001114384276 848030844 /nfs/dbraw/zinc/03/08/44/848030844.db2.gz HQTVQIHWMPVMJM-IMRBUKKESA-N 2 2 280.347 0.748 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1[C@H]2C[N@H+](CCCF)C[C@H]21 ZINC001114384276 848030851 /nfs/dbraw/zinc/03/08/51/848030851.db2.gz HQTVQIHWMPVMJM-IMRBUKKESA-N 2 2 280.347 0.748 20 0 CCADLP O=S(=O)([C@H]1CCC[NH2+]C1)N1CCc2c[nH+]ccc21 ZINC000923627248 848078228 /nfs/dbraw/zinc/07/82/28/848078228.db2.gz TXNFZUJZFZMUON-NSHDSACASA-N 2 2 267.354 0.526 20 0 CCADLP C[C@H](O)[C@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000717319733 848226980 /nfs/dbraw/zinc/22/69/80/848226980.db2.gz WLOXNOCSKCGXSF-SMDDNHRTSA-N 2 2 261.325 0.704 20 0 CCADLP CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc1cnon1)[NH+](C)C ZINC001274368567 848460496 /nfs/dbraw/zinc/46/04/96/848460496.db2.gz MUNOGEIFSRMZEH-FYJFLYSWSA-N 2 2 281.360 0.172 20 0 CCADLP Cc1cc(C[NH2+]C/C=C/CNC(=O)[C@H]2CC[N@@H+](C)C2)no1 ZINC001274579188 848513081 /nfs/dbraw/zinc/51/30/81/848513081.db2.gz RNGQEQAIHUCCCE-OOPCZODUSA-N 2 2 292.383 0.697 20 0 CCADLP Cc1cc(C[NH2+]C/C=C/CNC(=O)[C@H]2CC[N@H+](C)C2)no1 ZINC001274579188 848513084 /nfs/dbraw/zinc/51/30/84/848513084.db2.gz RNGQEQAIHUCCCE-OOPCZODUSA-N 2 2 292.383 0.697 20 0 CCADLP CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001274818509 848573081 /nfs/dbraw/zinc/57/30/81/848573081.db2.gz LXTVIPYDSFXXCW-GHMZBOCLSA-N 2 2 250.346 0.560 20 0 CCADLP C[C@@H](F)CC[NH2+]C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001274968588 848604375 /nfs/dbraw/zinc/60/43/75/848604375.db2.gz YRKLPLYXLVBLGK-NXEZZACHSA-N 2 2 256.325 0.795 20 0 CCADLP CC[N@@H+]1C[C@@H]2OCCN(C(=O)[C@H]3CC4CC[NH+]3CC4)[C@H]2C1 ZINC001275078896 848628723 /nfs/dbraw/zinc/62/87/23/848628723.db2.gz CDHZFJYHOGLRFL-ILXRZTDVSA-N 2 2 293.411 0.402 20 0 CCADLP CC[N@H+]1C[C@@H]2OCCN(C(=O)[C@H]3CC4CC[NH+]3CC4)[C@H]2C1 ZINC001275078896 848628727 /nfs/dbraw/zinc/62/87/27/848628727.db2.gz CDHZFJYHOGLRFL-ILXRZTDVSA-N 2 2 293.411 0.402 20 0 CCADLP CC[N@H+]1C[C@H]2CN(CCn3cc[nH+]c3)C[C@@H](C1)O2 ZINC001275086228 848634655 /nfs/dbraw/zinc/63/46/55/848634655.db2.gz IHEAXXQZDINWHM-BETUJISGSA-N 2 2 250.346 0.288 20 0 CCADLP CC[N@@H+]1C[C@H]2CN(CCn3cc[nH+]c3)C[C@@H](C1)O2 ZINC001275086228 848634657 /nfs/dbraw/zinc/63/46/57/848634657.db2.gz IHEAXXQZDINWHM-BETUJISGSA-N 2 2 250.346 0.288 20 0 CCADLP CO[C@@H]1CC[C@H](C)[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000687190041 849095017 /nfs/dbraw/zinc/09/50/17/849095017.db2.gz DWGAXNVYUJGVDD-FPMFFAJLSA-N 2 2 256.390 0.941 20 0 CCADLP CO[C@@H]1CC[C@H](C)[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000687190041 849095025 /nfs/dbraw/zinc/09/50/25/849095025.db2.gz DWGAXNVYUJGVDD-FPMFFAJLSA-N 2 2 256.390 0.941 20 0 CCADLP CO[C@@H]1CC[C@H](C)[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000687190041 849095030 /nfs/dbraw/zinc/09/50/30/849095030.db2.gz DWGAXNVYUJGVDD-FPMFFAJLSA-N 2 2 256.390 0.941 20 0 CCADLP CO[C@@H]1CC[C@H](C)[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000687190041 849095035 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COC[C@H](C)OC[C@H](O)C[N@@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000300256619 849364548 /nfs/dbraw/zinc/36/45/48/849364548.db2.gz DNMQFSZZEWNWEQ-FQUUOJAGSA-N 2 2 274.405 0.458 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[N@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000300256619 849364556 /nfs/dbraw/zinc/36/45/56/849364556.db2.gz DNMQFSZZEWNWEQ-FQUUOJAGSA-N 2 2 274.405 0.458 20 0 CCADLP O=C(NC[C@H]1CC[N@H+]1CCCF)[C@H]1CCc2[nH+]ccn2C1 ZINC001038424974 849892914 /nfs/dbraw/zinc/89/29/14/849892914.db2.gz XGIVQRSKKWVDNL-QWHCGFSZSA-N 2 2 294.374 0.996 20 0 CCADLP O=C(NC[C@H]1CC[N@@H+]1CCCF)[C@H]1CCc2[nH+]ccn2C1 ZINC001038424974 849892920 /nfs/dbraw/zinc/89/29/20/849892920.db2.gz XGIVQRSKKWVDNL-QWHCGFSZSA-N 2 2 294.374 0.996 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+]2CC=C(C)C)C1 ZINC001039037607 850132901 /nfs/dbraw/zinc/13/29/01/850132901.db2.gz CJDGJVAEAALSRV-GJZGRUSLSA-N 2 2 295.427 0.864 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+]2CC=C(C)C)C1 ZINC001039037607 850132905 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CCADLP C[NH+]1CCN(CCCNC(=O)c2coc(C[NH3+])c2)CC1 ZINC001118221959 856210537 /nfs/dbraw/zinc/21/05/37/856210537.db2.gz OBHFIXZHCHENNQ-UHFFFAOYSA-N 2 2 280.372 0.106 20 0 CCADLP CN1CC[NH+](CCCNC(=O)c2coc(C[NH3+])c2)CC1 ZINC001118221959 856210542 /nfs/dbraw/zinc/21/05/42/856210542.db2.gz OBHFIXZHCHENNQ-UHFFFAOYSA-N 2 2 280.372 0.106 20 0 CCADLP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001118847692 856463234 /nfs/dbraw/zinc/46/32/34/856463234.db2.gz ASWUOWVNCBOVPA-IJLUTSLNSA-N 2 2 262.357 0.689 20 0 CCADLP O=C(NC[C@@H]1CCC[NH2+]C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001118848204 856464369 /nfs/dbraw/zinc/46/43/69/856464369.db2.gz LYNHKHPQECYYAM-NEPJUHHUSA-N 2 2 262.357 0.561 20 0 CCADLP [NH3+][C@H]1C[C@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001119301500 856622904 /nfs/dbraw/zinc/62/29/04/856622904.db2.gz ZOHKJIDRAZHUCD-XYPYZODXSA-N 2 2 262.357 0.615 20 0 CCADLP CCCN(C(=O)NCc1c[nH+]cn1C)[C@H]1CC[NH2+]C1 ZINC001119419374 856673942 /nfs/dbraw/zinc/67/39/42/856673942.db2.gz 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ZINC001393645021 912697131 /nfs/dbraw/zinc/69/71/31/912697131.db2.gz XGBSRTUKZNCLQY-CYBMUJFWSA-N 2 2 294.399 0.769 20 0 CCADLP CN(CCC[N@@H+](C)C[C@H]1CCOC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001393645021 912697137 /nfs/dbraw/zinc/69/71/37/912697137.db2.gz XGBSRTUKZNCLQY-CYBMUJFWSA-N 2 2 294.399 0.769 20 0 CCADLP C[C@H]1[C@H](NC(=O)CCn2cc[nH+]c2)CCC[N@@H+]1CCCO ZINC001394720933 913380036 /nfs/dbraw/zinc/38/00/36/913380036.db2.gz XYPFZXYNUKPWTL-UONOGXRCSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@H]1[C@H](NC(=O)CCn2cc[nH+]c2)CCC[N@H+]1CCCO ZINC001394720933 913380046 /nfs/dbraw/zinc/38/00/46/913380046.db2.gz XYPFZXYNUKPWTL-UONOGXRCSA-N 2 2 294.399 0.625 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001394780934 913424457 /nfs/dbraw/zinc/42/44/57/913424457.db2.gz GDAWFOLPHNBOFF-ZDUSSCGKSA-N 2 2 282.388 0.122 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001394780934 913424470 /nfs/dbraw/zinc/42/44/70/913424470.db2.gz GDAWFOLPHNBOFF-ZDUSSCGKSA-N 2 2 282.388 0.122 20 0 CCADLP CC[C@@H](C[NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1)OC ZINC001496193661 891927404 /nfs/dbraw/zinc/92/74/04/891927404.db2.gz ROAMDRCHCUKRJP-RYUDHWBXSA-N 2 2 282.388 0.814 20 0 CCADLP CCC[N@H+](CCF)CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001481153985 892239464 /nfs/dbraw/zinc/23/94/64/892239464.db2.gz GBOWIXUBKDLAQV-CYBMUJFWSA-N 2 2 289.395 0.505 20 0 CCADLP CCC[N@@H+](CCF)CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001481153985 892239474 /nfs/dbraw/zinc/23/94/74/892239474.db2.gz GBOWIXUBKDLAQV-CYBMUJFWSA-N 2 2 289.395 0.505 20 0 CCADLP CCC[NH+](CCF)CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001481153985 892239490 /nfs/dbraw/zinc/23/94/90/892239490.db2.gz GBOWIXUBKDLAQV-CYBMUJFWSA-N 2 2 289.395 0.505 20 0 CCADLP CCC[NH+](CCF)CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001481153985 892239503 /nfs/dbraw/zinc/23/95/03/892239503.db2.gz GBOWIXUBKDLAQV-CYBMUJFWSA-N 2 2 289.395 0.505 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001481527549 892778405 /nfs/dbraw/zinc/77/84/05/892778405.db2.gz QVHKVLUWJSXNCJ-CHWSQXEVSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001481527549 892778413 /nfs/dbraw/zinc/77/84/13/892778413.db2.gz QVHKVLUWJSXNCJ-CHWSQXEVSA-N 2 2 280.372 0.235 20 0 CCADLP C[NH+](C)CCC(=O)NC1C[NH+](C[C@H]2CCCCO2)C1 ZINC001481580934 892862254 /nfs/dbraw/zinc/86/22/54/892862254.db2.gz HZVKWLDJDYLSRC-CYBMUJFWSA-N 2 2 269.389 0.308 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001481589143 892876056 /nfs/dbraw/zinc/87/60/56/892876056.db2.gz JQPYFVYIAOREOQ-GFCCVEGCSA-N 2 2 294.399 0.807 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC001361726532 893329275 /nfs/dbraw/zinc/32/92/75/893329275.db2.gz HMLWPHORVRCMEZ-UONOGXRCSA-N 2 2 283.416 0.554 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC001361726532 893329292 /nfs/dbraw/zinc/32/92/92/893329292.db2.gz HMLWPHORVRCMEZ-UONOGXRCSA-N 2 2 283.416 0.554 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001361726532 893329309 /nfs/dbraw/zinc/32/93/09/893329309.db2.gz HMLWPHORVRCMEZ-UONOGXRCSA-N 2 2 283.416 0.554 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001361726532 893329323 /nfs/dbraw/zinc/32/93/23/893329323.db2.gz HMLWPHORVRCMEZ-UONOGXRCSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1[NH2+]CCCO ZINC001482422691 893969028 /nfs/dbraw/zinc/96/90/28/893969028.db2.gz KZAJXIZVQMRLFL-OCCSQVGLSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CCCO ZINC001482422691 893969051 /nfs/dbraw/zinc/96/90/51/893969051.db2.gz KZAJXIZVQMRLFL-OCCSQVGLSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](CC(=O)NC[C@H](O)C[NH2+]CC1CC1)n1cc[nH+]c1 ZINC001482772640 894591095 /nfs/dbraw/zinc/59/10/95/894591095.db2.gz HYDHMJLDGFSPJK-WCQYABFASA-N 2 2 280.372 0.311 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CC[NH2+]C[C@H](C)O ZINC001482888926 894670926 /nfs/dbraw/zinc/67/09/26/894670926.db2.gz FSZSAEDDWJAFFI-ZJUUUORDSA-N 2 2 268.361 0.126 20 0 CCADLP CC(C)C[C@@H](C(=O)N[C@H](C)C[NH2+]CC(N)=O)n1cc[nH+]c1 ZINC001483138159 895017820 /nfs/dbraw/zinc/01/78/20/895017820.db2.gz JSCBIWVVUKAJHW-NEPJUHHUSA-N 2 2 295.387 0.050 20 0 CCADLP CN(CCCF)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336943755 921119101 /nfs/dbraw/zinc/11/91/01/921119101.db2.gz SEKXUSVNVGTXPW-UHFFFAOYSA-N 2 2 260.357 0.411 20 0 CCADLP C[C@H](C(=O)N1CCCO[C@@H](C[NH3+])C1)n1cc[nH+]c1 ZINC001326421234 913945704 /nfs/dbraw/zinc/94/57/04/913945704.db2.gz ONCKSGODUFXNSQ-MNOVXSKESA-N 2 2 252.318 0.020 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](C)[N@H+](C)CCCO ZINC001409652141 895312823 /nfs/dbraw/zinc/31/28/23/895312823.db2.gz KYDYJGYSOJXYSJ-RYUDHWBXSA-N 2 2 282.388 0.407 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](C)[N@@H+](C)CCCO ZINC001409652141 895312834 /nfs/dbraw/zinc/31/28/34/895312834.db2.gz KYDYJGYSOJXYSJ-RYUDHWBXSA-N 2 2 282.388 0.407 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](C)[N@H+](C)CCCO ZINC001409652141 895312848 /nfs/dbraw/zinc/31/28/48/895312848.db2.gz KYDYJGYSOJXYSJ-RYUDHWBXSA-N 2 2 282.388 0.407 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](C)[N@@H+](C)CCCO ZINC001409652141 895312858 /nfs/dbraw/zinc/31/28/58/895312858.db2.gz KYDYJGYSOJXYSJ-RYUDHWBXSA-N 2 2 282.388 0.407 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)Cc1cnnn1C ZINC001409682046 895328553 /nfs/dbraw/zinc/32/85/53/895328553.db2.gz GBSIKNXCVMLYSR-LBPRGKRZSA-N 2 2 296.419 0.092 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)Cc1cnnn1C ZINC001409682046 895328569 /nfs/dbraw/zinc/32/85/69/895328569.db2.gz GBSIKNXCVMLYSR-LBPRGKRZSA-N 2 2 296.419 0.092 20 0 CCADLP CC(C)[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)Cc1cnnn1C ZINC001409682046 895328585 /nfs/dbraw/zinc/32/85/85/895328585.db2.gz GBSIKNXCVMLYSR-LBPRGKRZSA-N 2 2 296.419 0.092 20 0 CCADLP CC(C)[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)Cc1cnnn1C ZINC001409682046 895328602 /nfs/dbraw/zinc/32/86/02/895328602.db2.gz GBSIKNXCVMLYSR-LBPRGKRZSA-N 2 2 296.419 0.092 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[NH2+]C[C@@H](C)O)c[nH+]1 ZINC001483240797 895370540 /nfs/dbraw/zinc/37/05/40/895370540.db2.gz UVKWCMCBJKKOOP-CMPLNLGQSA-N 2 2 282.388 0.402 20 0 CCADLP C[C@@H](C[NH2+]CCCO)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001483269447 895400302 /nfs/dbraw/zinc/40/03/02/895400302.db2.gz MICQEYGJNNYRRG-RYUDHWBXSA-N 2 2 268.361 0.311 20 0 CCADLP C[C@@H](C[NH2+]CCOC1CCC1)NC(=O)Cc1c[nH+]cn1C ZINC001483282976 895412157 /nfs/dbraw/zinc/41/21/57/895412157.db2.gz FICXDGVZONSMHO-LBPRGKRZSA-N 2 2 294.399 0.626 20 0 CCADLP CO[C@@H](C)C[N@H+](C)C[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001483366857 895504446 /nfs/dbraw/zinc/50/44/46/895504446.db2.gz XPSBNVYQOJWEEF-STQMWFEESA-N 2 2 296.415 0.824 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)C[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001483366857 895504452 /nfs/dbraw/zinc/50/44/52/895504452.db2.gz XPSBNVYQOJWEEF-STQMWFEESA-N 2 2 296.415 0.824 20 0 CCADLP CN(CCC[NH2+]CC[C@@H]1CCCO1)C(=O)Cc1c[nH+]c[nH]1 ZINC001483494367 895610547 /nfs/dbraw/zinc/61/05/47/895610547.db2.gz FWIHIZWEDSMQQO-AWEZNQCLSA-N 2 2 294.399 0.959 20 0 CCADLP CC[N@H+](CCNC(=O)CCn1cc[nH+]c1)C[C@H]1CCOC1 ZINC001492997187 895626945 /nfs/dbraw/zinc/62/69/45/895626945.db2.gz AERGBFUWLSFTHO-CQSZACIVSA-N 2 2 294.399 0.748 20 0 CCADLP CC[N@@H+](CCNC(=O)CCn1cc[nH+]c1)C[C@H]1CCOC1 ZINC001492997187 895626955 /nfs/dbraw/zinc/62/69/55/895626955.db2.gz AERGBFUWLSFTHO-CQSZACIVSA-N 2 2 294.399 0.748 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC1([NH2+]CCF)CC1 ZINC001483783028 896058357 /nfs/dbraw/zinc/05/83/57/896058357.db2.gz IQKBHIRKFBRXEA-UHFFFAOYSA-N 2 2 254.309 0.171 20 0 CCADLP CC[C@@H](C(=O)N(C)C1C[NH+]([C@H](C)COC)C1)[NH+](C)C ZINC001483887453 896107063 /nfs/dbraw/zinc/10/70/63/896107063.db2.gz HTLAUMKYSMUGEH-YPMHNXCESA-N 2 2 271.405 0.504 20 0 CCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC[C@H]1C[NH2+]CCF ZINC001483933994 896123027 /nfs/dbraw/zinc/12/30/27/896123027.db2.gz DGWSTMXTWLXCLV-OCCSQVGLSA-N 2 2 294.374 0.996 20 0 CCADLP CO[C@H](C[NH2+]C1CC[NH+](CCNC(C)=O)CC1)C1CCC1 ZINC001484415787 896385372 /nfs/dbraw/zinc/38/53/72/896385372.db2.gz PHNWTHBEEPEMOY-MRXNPFEDSA-N 2 2 297.443 0.992 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC[C@H]1COCC[NH+]1CCC1CC1 ZINC001484609379 896497620 /nfs/dbraw/zinc/49/76/20/896497620.db2.gz FDRFIZSGSZRRBR-HNNXBMFYSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC[C@H]1COCC[NH+]1CCC1CC1 ZINC001484609379 896497625 /nfs/dbraw/zinc/49/76/25/896497625.db2.gz FDRFIZSGSZRRBR-HNNXBMFYSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[NH+](C)CC(=O)NC[C@H]1COCC[N@@H+]1CCC1CC1 ZINC001484609379 896497635 /nfs/dbraw/zinc/49/76/35/896497635.db2.gz FDRFIZSGSZRRBR-HNNXBMFYSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[NH+](C)CC(=O)NC[C@H]1COCC[N@H+]1CCC1CC1 ZINC001484609379 896497642 /nfs/dbraw/zinc/49/76/42/896497642.db2.gz FDRFIZSGSZRRBR-HNNXBMFYSA-N 2 2 297.443 0.944 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cnsn1 ZINC001485215017 896855316 /nfs/dbraw/zinc/85/53/16/896855316.db2.gz ISEXGWZPAQPNJE-GHMZBOCLSA-N 2 2 299.444 0.863 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cnsn1 ZINC001485215017 896855333 /nfs/dbraw/zinc/85/53/33/896855333.db2.gz ISEXGWZPAQPNJE-GHMZBOCLSA-N 2 2 299.444 0.863 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[C@H]1C[N@H+]2CCCF ZINC001032651847 897903408 /nfs/dbraw/zinc/90/34/08/897903408.db2.gz GPKAJAWBBCXSOM-RYUDHWBXSA-N 2 2 266.320 0.597 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCF ZINC001032651847 897903417 /nfs/dbraw/zinc/90/34/17/897903417.db2.gz GPKAJAWBBCXSOM-RYUDHWBXSA-N 2 2 266.320 0.597 20 0 CCADLP CC[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001078081112 898222782 /nfs/dbraw/zinc/22/27/82/898222782.db2.gz PYZHWBJMLXVLIH-ZLKJLUDKSA-N 2 2 294.399 0.468 20 0 CCADLP CC[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001078081112 898222798 /nfs/dbraw/zinc/22/27/98/898222798.db2.gz PYZHWBJMLXVLIH-ZLKJLUDKSA-N 2 2 294.399 0.468 20 0 CCADLP CC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCCO1 ZINC001078411700 898375344 /nfs/dbraw/zinc/37/53/44/898375344.db2.gz RJJRQYQXPLHFKP-ZDUSSCGKSA-N 2 2 280.372 0.569 20 0 CCADLP CC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCCO1 ZINC001078411700 898375358 /nfs/dbraw/zinc/37/53/58/898375358.db2.gz RJJRQYQXPLHFKP-ZDUSSCGKSA-N 2 2 280.372 0.569 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCCO)CN1C(=O)CCn1cc[nH+]c1 ZINC001486118202 898673024 /nfs/dbraw/zinc/67/30/24/898673024.db2.gz PBAUOJYVHWKHNX-OLZOCXBDSA-N 2 2 280.372 0.235 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC[C@@H](C[NH2+]CCO)C1 ZINC001486202956 898712109 /nfs/dbraw/zinc/71/21/09/898712109.db2.gz RMPAFYXJFOSJIT-NEPJUHHUSA-N 2 2 280.372 0.209 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC[C@@H](C[NH2+]CCO)C1 ZINC001486202956 898712115 /nfs/dbraw/zinc/71/21/15/898712115.db2.gz RMPAFYXJFOSJIT-NEPJUHHUSA-N 2 2 280.372 0.209 20 0 CCADLP CC[NH2+]C[C@H](O)CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001486276849 898735609 /nfs/dbraw/zinc/73/56/09/898735609.db2.gz 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C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)CCCF ZINC001282478216 904486990 /nfs/dbraw/zinc/48/69/90/904486990.db2.gz NIBXIJGTEHZUFK-SNVBAGLBSA-N 2 2 256.325 0.748 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCC[NH+]2CCF)C1 ZINC001377407999 904855799 /nfs/dbraw/zinc/85/57/99/904855799.db2.gz AOBWCMBKKHOVHT-QWHCGFSZSA-N 2 2 271.380 0.878 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCC[NH+]2CCF)C1 ZINC001377407999 904855815 /nfs/dbraw/zinc/85/58/15/904855815.db2.gz AOBWCMBKKHOVHT-QWHCGFSZSA-N 2 2 271.380 0.878 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CCC[N@@H+]2CCF)C1 ZINC001377407999 904855831 /nfs/dbraw/zinc/85/58/31/904855831.db2.gz AOBWCMBKKHOVHT-QWHCGFSZSA-N 2 2 271.380 0.878 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CCC[N@H+]2CCF)C1 ZINC001377407999 904855848 /nfs/dbraw/zinc/85/58/48/904855848.db2.gz AOBWCMBKKHOVHT-QWHCGFSZSA-N 2 2 271.380 0.878 20 0 CCADLP C[C@H](CC(=O)N(C)[C@@H](C[NH2+]CCO)C1CC1)n1cc[nH+]c1 ZINC001283544273 904904241 /nfs/dbraw/zinc/90/42/41/904904241.db2.gz OAHMAMWDWCWZEZ-OCCSQVGLSA-N 2 2 294.399 0.653 20 0 CCADLP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+](Cc2cnon2)C1 ZINC001377462853 904909252 /nfs/dbraw/zinc/90/92/52/904909252.db2.gz MUXALJYDPBGXGV-GFCCVEGCSA-N 2 2 295.387 0.350 20 0 CCADLP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+](Cc2cnon2)C1 ZINC001377462853 904909265 /nfs/dbraw/zinc/90/92/65/904909265.db2.gz MUXALJYDPBGXGV-GFCCVEGCSA-N 2 2 295.387 0.350 20 0 CCADLP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](Cc2cnon2)C1 ZINC001377462853 904909288 /nfs/dbraw/zinc/90/92/88/904909288.db2.gz MUXALJYDPBGXGV-GFCCVEGCSA-N 2 2 295.387 0.350 20 0 CCADLP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001377462853 904909301 /nfs/dbraw/zinc/90/93/01/904909301.db2.gz MUXALJYDPBGXGV-GFCCVEGCSA-N 2 2 295.387 0.350 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001283677751 904957028 /nfs/dbraw/zinc/95/70/28/904957028.db2.gz CYIBDNRFQTTWKU-MNOVXSKESA-N 2 2 268.361 0.424 20 0 CCADLP C[C@@H](O)C[N@H+](CCNC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001377542779 904978654 /nfs/dbraw/zinc/97/86/54/904978654.db2.gz CLXAOTZDMCWWLB-GFCCVEGCSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@@H](O)C[N@@H+](CCNC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001377542779 904978664 /nfs/dbraw/zinc/97/86/64/904978664.db2.gz CLXAOTZDMCWWLB-GFCCVEGCSA-N 2 2 280.372 0.235 20 0 CCADLP Cn1ccc(C[N@H+](CCNC(=O)CC[NH+](C)C)C2CC2)n1 ZINC001377545093 904986535 /nfs/dbraw/zinc/98/65/35/904986535.db2.gz FRDMLZQNMKYTMF-UHFFFAOYSA-N 2 2 293.415 0.452 20 0 CCADLP Cn1ccc(C[N@@H+](CCNC(=O)CC[NH+](C)C)C2CC2)n1 ZINC001377545093 904986542 /nfs/dbraw/zinc/98/65/42/904986542.db2.gz FRDMLZQNMKYTMF-UHFFFAOYSA-N 2 2 293.415 0.452 20 0 CCADLP CCCC[NH2+][C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001283765429 905003894 /nfs/dbraw/zinc/00/38/94/905003894.db2.gz UOVYJQZOAADEQE-QJPTWQEYSA-N 2 2 280.372 0.380 20 0 CCADLP CCCC[NH2+][C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001283765429 905003915 /nfs/dbraw/zinc/00/39/15/905003915.db2.gz UOVYJQZOAADEQE-QJPTWQEYSA-N 2 2 280.372 0.380 20 0 CCADLP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCCCCn1cc[nH+]c1 ZINC001327926862 914866900 /nfs/dbraw/zinc/86/69/00/914866900.db2.gz DKTBYSNIDONCDU-RYUDHWBXSA-N 2 2 266.345 0.143 20 0 CCADLP COC[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001377674259 905092951 /nfs/dbraw/zinc/09/29/51/905092951.db2.gz YYPPCJJOXIHVCZ-OLZOCXBDSA-N 2 2 294.399 0.528 20 0 CCADLP COCC[NH2+]C[C@@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001284200275 905182412 /nfs/dbraw/zinc/18/24/12/905182412.db2.gz ZEXHSTNHXXPCPV-KGLIPLIRSA-N 2 2 294.399 0.794 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)[C@@H](C)[NH2+]CCO)c[nH+]1 ZINC001377899078 905229110 /nfs/dbraw/zinc/22/91/10/905229110.db2.gz WAMVTKVLLNYTEC-VXGBXAGGSA-N 2 2 282.388 0.402 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@](C)(C[NH2+]C[C@H](C)O)C1CC1 ZINC001378439386 905622403 /nfs/dbraw/zinc/62/24/03/905622403.db2.gz YHMPFYIPCJADDU-ZUZCIYMTSA-N 2 2 294.399 0.516 20 0 CCADLP CO[C@H](C)C[NH+]1CC([C@@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001378534339 905666305 /nfs/dbraw/zinc/66/63/05/905666305.db2.gz PDYKFGWCZAIWBU-CHWSQXEVSA-N 2 2 294.399 0.745 20 0 CCADLP COC[C@H](C)[NH2+]C[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001378612617 905713698 /nfs/dbraw/zinc/71/36/98/905713698.db2.gz GSWROLCUNDCQFC-NEPJUHHUSA-N 2 2 282.388 0.339 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCC[NH+]1CCCC1 ZINC001290265576 906116469 /nfs/dbraw/zinc/11/64/69/906116469.db2.gz NUOXFKVSRKOONQ-UHFFFAOYSA-N 2 2 250.346 0.565 20 0 CCADLP CC[C@H](C(=O)N[C@H](C)C[NH2+][C@H](C)c1nc(C)no1)[NH+](C)C ZINC001379383369 906201096 /nfs/dbraw/zinc/20/10/96/906201096.db2.gz LLZWGBFGCJJONK-CKYFFXLPSA-N 2 2 297.403 0.874 20 0 CCADLP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1csnn1)[NH+](C)C ZINC001379447799 906245950 /nfs/dbraw/zinc/24/59/50/906245950.db2.gz GNRUOSAGJGBTHG-PWSUYJOCSA-N 2 2 299.444 0.719 20 0 CCADLP Cc1nnc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)o1 ZINC001379552754 906347714 /nfs/dbraw/zinc/34/77/14/906347714.db2.gz RCLQYSWPUGLJHM-GXFFZTMASA-N 2 2 297.403 0.559 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCO)CC2)CC1 ZINC001334747298 906349899 /nfs/dbraw/zinc/34/98/99/906349899.db2.gz HWIGTHXKQUTNDK-UHFFFAOYSA-N 2 2 269.389 0.044 20 0 CCADLP CC[C@@H](C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CC1)OC ZINC001380167044 906663850 /nfs/dbraw/zinc/66/38/50/906663850.db2.gz DNZLFDZMOWLGLS-LBPRGKRZSA-N 2 2 280.372 0.547 20 0 CCADLP C[C@@H](O)C[NH2+]C1CC(N(C)C(=O)CCCn2cc[nH+]c2)C1 ZINC001380184797 906668211 /nfs/dbraw/zinc/66/82/11/906668211.db2.gz YIVGPCBUHLVJND-IYXRBSQSSA-N 2 2 294.399 0.623 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCO)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001380267285 906704634 /nfs/dbraw/zinc/70/46/34/906704634.db2.gz LDBAVZJYFHAFKN-KBPBESRZSA-N 2 2 294.399 0.625 20 0 CCADLP CON(C)CC[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001335411613 906760024 /nfs/dbraw/zinc/76/00/24/906760024.db2.gz HWCDDUWZWDCAIF-OAHLLOKOSA-N 2 2 281.400 0.562 20 0 CCADLP CON(C)CC[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001335411613 906760031 /nfs/dbraw/zinc/76/00/31/906760031.db2.gz HWCDDUWZWDCAIF-OAHLLOKOSA-N 2 2 281.400 0.562 20 0 CCADLP CC[NH+]1CC(O)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001380621231 906860587 /nfs/dbraw/zinc/86/05/87/906860587.db2.gz JKRIHVUVHXEGRZ-CYBMUJFWSA-N 2 2 283.416 0.434 20 0 CCADLP CN(CCC[N@H+](C)CCCO)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001380982701 907030267 /nfs/dbraw/zinc/03/02/67/907030267.db2.gz KOOVSQMQPXXHTA-UHFFFAOYSA-N 2 2 296.415 0.850 20 0 CCADLP CN(CCC[N@@H+](C)CCCO)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001380982701 907030285 /nfs/dbraw/zinc/03/02/85/907030285.db2.gz KOOVSQMQPXXHTA-UHFFFAOYSA-N 2 2 296.415 0.850 20 0 CCADLP COC[C@@H](C)[NH2+]CC1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001381337540 907161960 /nfs/dbraw/zinc/16/19/60/907161960.db2.gz HDWYAVPARRGXCX-PNESKVBLSA-N 2 2 294.399 0.482 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)o1 ZINC001491568618 907439535 /nfs/dbraw/zinc/43/95/35/907439535.db2.gz LHULWGPEZQKIFK-VHSXEESVSA-N 2 2 283.376 0.485 20 0 CCADLP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+]Cc1ncc(C)o1 ZINC001491633215 907469655 /nfs/dbraw/zinc/46/96/55/907469655.db2.gz WMUGEMRZPMZNNH-NSHDSACASA-N 2 2 282.388 0.919 20 0 CCADLP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+]Cc1ncc(C)o1 ZINC001491633215 907469660 /nfs/dbraw/zinc/46/96/60/907469660.db2.gz WMUGEMRZPMZNNH-NSHDSACASA-N 2 2 282.388 0.919 20 0 CCADLP C[C@H](F)CC[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001491693428 907506263 /nfs/dbraw/zinc/50/62/63/907506263.db2.gz FLZDNJFMFQXZIS-QWRGUYRKSA-N 2 2 256.325 0.726 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@@H](C[NH2+]CCF)C1 ZINC001491810040 907611815 /nfs/dbraw/zinc/61/18/15/907611815.db2.gz FFVMBKHPHCOENF-QJPTWQEYSA-N 2 2 280.347 0.921 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@@H](C[NH2+]CCF)C1 ZINC001491810040 907611819 /nfs/dbraw/zinc/61/18/19/907611819.db2.gz FFVMBKHPHCOENF-QJPTWQEYSA-N 2 2 280.347 0.921 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](CO)[NH2+]Cc1ccccc1 ZINC001382252435 907643714 /nfs/dbraw/zinc/64/37/14/907643714.db2.gz MJYYGYIWNKZIHO-CQSZACIVSA-N 2 2 288.351 0.219 20 0 CCADLP CCC[N@@H+]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001493251052 907689498 /nfs/dbraw/zinc/68/94/98/907689498.db2.gz SDRCVGKYRDZEHG-LLVKDONJSA-N 2 2 250.346 0.800 20 0 CCADLP CCC[N@H+]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001493251052 907689510 /nfs/dbraw/zinc/68/95/10/907689510.db2.gz SDRCVGKYRDZEHG-LLVKDONJSA-N 2 2 250.346 0.800 20 0 CCADLP COCC[N@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001382552591 907787369 /nfs/dbraw/zinc/78/73/69/907787369.db2.gz BPFUVUXSCMLVEL-UHFFFAOYSA-N 2 2 282.388 0.734 20 0 CCADLP COCC[N@@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001382552591 907787380 /nfs/dbraw/zinc/78/73/80/907787380.db2.gz BPFUVUXSCMLVEL-UHFFFAOYSA-N 2 2 282.388 0.734 20 0 CCADLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC001336782172 907992851 /nfs/dbraw/zinc/99/28/51/907992851.db2.gz YBGPGIUTRBOSAF-KGLIPLIRSA-N 2 2 286.416 0.474 20 0 CCADLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC001336782172 907992863 /nfs/dbraw/zinc/99/28/63/907992863.db2.gz YBGPGIUTRBOSAF-KGLIPLIRSA-N 2 2 286.416 0.474 20 0 CCADLP Cc1[nH]c(CNC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)c(C)[nH+]1 ZINC001303892746 908123679 /nfs/dbraw/zinc/12/36/79/908123679.db2.gz UGLXXWUXILNWSP-MFKMUULPSA-N 2 2 266.345 0.098 20 0 CCADLP Cc1[nH]c(CNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)c(C)[nH+]1 ZINC001303892746 908123684 /nfs/dbraw/zinc/12/36/84/908123684.db2.gz UGLXXWUXILNWSP-MFKMUULPSA-N 2 2 266.345 0.098 20 0 CCADLP CC[C@@H](C)C[N@H+](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001317473375 908374884 /nfs/dbraw/zinc/37/48/84/908374884.db2.gz SPQIYOSWGVRUKS-GFCCVEGCSA-N 2 2 252.362 0.977 20 0 CCADLP CC[C@@H](C)C[N@@H+](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001317473375 908374897 /nfs/dbraw/zinc/37/48/97/908374897.db2.gz SPQIYOSWGVRUKS-GFCCVEGCSA-N 2 2 252.362 0.977 20 0 CCADLP C[NH+]1CCN(C(=O)c2ccc3c(n2)C[NH2+]CC3)CC1 ZINC001340895721 908558828 /nfs/dbraw/zinc/55/88/28/908558828.db2.gz YJOYOILNWMPSGH-UHFFFAOYSA-N 2 2 260.341 0.115 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1CCc2c[nH+]cn2C1)C[NH+]1CCCC1 ZINC001338422647 921464363 /nfs/dbraw/zinc/46/43/63/921464363.db2.gz JKJHHFKEZAKYGH-OCCSQVGLSA-N 3 2 264.373 0.244 20 0 CCADLP [NH3+]C[C@H]1C[C@H](NC(=O)NCCCCn2cc[nH+]c2)C1 ZINC001338476128 921480883 /nfs/dbraw/zinc/48/08/83/921480883.db2.gz VXYWNYKUSJNLLJ-HAQNSBGRSA-N 2 2 265.361 0.700 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001388786400 909591178 /nfs/dbraw/zinc/59/11/78/909591178.db2.gz BQHXGKNNTMYETB-XQQFMLRXSA-N 2 2 280.372 0.233 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001388786400 909591194 /nfs/dbraw/zinc/59/11/94/909591194.db2.gz BQHXGKNNTMYETB-XQQFMLRXSA-N 2 2 280.372 0.233 20 0 CCADLP CCC[NH+]1CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001318139762 909641273 /nfs/dbraw/zinc/64/12/73/909641273.db2.gz HZGIKSDPGLAFDY-UHFFFAOYSA-N 2 2 250.346 0.731 20 0 CCADLP COCC[N@H+](C)CCNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001318210871 909665957 /nfs/dbraw/zinc/66/59/57/909665957.db2.gz UMNIXTAHBAFWPP-LLVKDONJSA-N 2 2 254.334 0.139 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001318210871 909665960 /nfs/dbraw/zinc/66/59/60/909665960.db2.gz UMNIXTAHBAFWPP-LLVKDONJSA-N 2 2 254.334 0.139 20 0 CCADLP CC(C)(O)C[C@H](O)C[NH2+]CC(C)(C)n1cc[nH+]c1 ZINC001338568060 921514353 /nfs/dbraw/zinc/51/43/53/921514353.db2.gz RSAKSYXIQCRTKW-NSHDSACASA-N 2 2 255.362 0.730 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H](CC[NH2+]CCO)C1 ZINC001318849881 909899637 /nfs/dbraw/zinc/89/96/37/909899637.db2.gz LVXCCMXRKYMHTL-ZDUSSCGKSA-N 2 2 294.399 0.173 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001389796681 910085186 /nfs/dbraw/zinc/08/51/86/910085186.db2.gz YUYUZAPQCHVGHZ-STQMWFEESA-N 2 2 280.372 0.499 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001389883324 910129664 /nfs/dbraw/zinc/12/96/64/910129664.db2.gz KPFMMVFSPTUJFS-DDHJBXDOSA-N 2 2 280.372 0.206 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001389883324 910129675 /nfs/dbraw/zinc/12/96/75/910129675.db2.gz KPFMMVFSPTUJFS-DDHJBXDOSA-N 2 2 280.372 0.206 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001389883322 910131144 /nfs/dbraw/zinc/13/11/44/910131144.db2.gz KPFMMVFSPTUJFS-BJDJZHNGSA-N 2 2 280.372 0.206 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001389883322 910131155 /nfs/dbraw/zinc/13/11/55/910131155.db2.gz KPFMMVFSPTUJFS-BJDJZHNGSA-N 2 2 280.372 0.206 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCC(NC(N)=O)CC1 ZINC001319636090 910240846 /nfs/dbraw/zinc/24/08/46/910240846.db2.gz SGFQDFRYQHINBH-UHFFFAOYSA-N 2 2 251.334 0.324 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001319709916 910267713 /nfs/dbraw/zinc/26/77/13/910267713.db2.gz DBOJSTDOHXOUGV-YPMHNXCESA-N 2 2 294.399 0.734 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC1CCC([NH2+]CCO)CC1 ZINC001390276404 910295977 /nfs/dbraw/zinc/29/59/77/910295977.db2.gz WHXHBIMJNAKVIR-UHFFFAOYSA-N 2 2 280.372 0.352 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC1CCC([NH2+]CCO)CC1 ZINC001390276404 910295995 /nfs/dbraw/zinc/29/59/95/910295995.db2.gz WHXHBIMJNAKVIR-UHFFFAOYSA-N 2 2 280.372 0.352 20 0 CCADLP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1cnsn1 ZINC001390459032 910437068 /nfs/dbraw/zinc/43/70/68/910437068.db2.gz HJJKVHNUCXWKMF-JTQLQIEISA-N 2 2 297.428 0.474 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)C[NH2+]C/C=C/Cl ZINC001320301795 910591768 /nfs/dbraw/zinc/59/17/68/910591768.db2.gz VWZLQYORYGBMOW-VMZHVLLKSA-N 2 2 286.763 0.080 20 0 CCADLP CCc1nocc1C[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001390742028 910637900 /nfs/dbraw/zinc/63/79/00/910637900.db2.gz MUFDDTGBZODNNN-AWEZNQCLSA-N 2 2 294.399 0.879 20 0 CCADLP CCc1nocc1C[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001390742028 910637907 /nfs/dbraw/zinc/63/79/07/910637907.db2.gz MUFDDTGBZODNNN-AWEZNQCLSA-N 2 2 294.399 0.879 20 0 CCADLP CCc1nocc1C[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001390742028 910637916 /nfs/dbraw/zinc/63/79/16/910637916.db2.gz MUFDDTGBZODNNN-AWEZNQCLSA-N 2 2 294.399 0.879 20 0 CCADLP CCc1nocc1C[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001390742028 910637925 /nfs/dbraw/zinc/63/79/25/910637925.db2.gz MUFDDTGBZODNNN-AWEZNQCLSA-N 2 2 294.399 0.879 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001417763978 921599638 /nfs/dbraw/zinc/59/96/38/921599638.db2.gz JTBHBNVYWQGOQN-WZRBSPASSA-N 2 2 280.372 0.208 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001417763978 921599642 /nfs/dbraw/zinc/59/96/42/921599642.db2.gz JTBHBNVYWQGOQN-WZRBSPASSA-N 2 2 280.372 0.208 20 0 CCADLP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)on1 ZINC001320561634 910739079 /nfs/dbraw/zinc/73/90/79/910739079.db2.gz JKDYWQAJQDNQGY-SNVBAGLBSA-N 2 2 291.355 0.933 20 0 CCADLP CC[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)CC[C@@H]1CCOC1 ZINC001390965098 910800036 /nfs/dbraw/zinc/80/00/36/910800036.db2.gz NGVKHLBPGMIXDB-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP CC[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)CC[C@@H]1CCOC1 ZINC001390965098 910800057 /nfs/dbraw/zinc/80/00/57/910800057.db2.gz NGVKHLBPGMIXDB-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001320947908 910952840 /nfs/dbraw/zinc/95/28/40/910952840.db2.gz QFGYGMYZOPBYKX-UHFFFAOYSA-N 2 2 282.307 0.963 20 0 CCADLP C[NH+](C)C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001321046433 911041413 /nfs/dbraw/zinc/04/14/13/911041413.db2.gz IEXSTMVODFWQFQ-NSHDSACASA-N 2 2 250.346 0.752 20 0 CCADLP C[NH+](C)C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001321046433 911041426 /nfs/dbraw/zinc/04/14/26/911041426.db2.gz IEXSTMVODFWQFQ-NSHDSACASA-N 2 2 250.346 0.752 20 0 CCADLP C[C@H](C[NH2+]CCF)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001321559994 911373991 /nfs/dbraw/zinc/37/39/91/911373991.db2.gz KEHUOHGBMPVKEI-MNOVXSKESA-N 2 2 268.336 0.509 20 0 CCADLP CN(C)c1ncc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)s1 ZINC001414069447 911407557 /nfs/dbraw/zinc/40/75/57/911407557.db2.gz FMXRQGBZUSPIPZ-NSHDSACASA-N 2 2 284.429 0.755 20 0 CCADLP Cc1conc1C[NH2+]C[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001391942366 911472166 /nfs/dbraw/zinc/47/21/66/911472166.db2.gz KLAFDPGBDOAEFP-JTQLQIEISA-N 2 2 291.355 0.791 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1csnn1 ZINC001391963837 911488842 /nfs/dbraw/zinc/48/88/42/911488842.db2.gz JWDXBWMSBGCTKE-JTQLQIEISA-N 2 2 294.384 0.277 20 0 CCADLP C[C@@H](C[NH2+]C[C@@H]1CCCOC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001392104370 911576436 /nfs/dbraw/zinc/57/64/36/911576436.db2.gz BENIGCXLFRIEKP-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](O)C[NH2+]CC1CC1 ZINC001392408849 911791205 /nfs/dbraw/zinc/79/12/05/911791205.db2.gz LYJFVGLHPZLJDQ-ZWNOBZJWSA-N 2 2 280.372 0.065 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](O)C[NH2+]CC1CC1 ZINC001392408849 911791218 /nfs/dbraw/zinc/79/12/18/911791218.db2.gz LYJFVGLHPZLJDQ-ZWNOBZJWSA-N 2 2 280.372 0.065 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCC[NH2+]CCO ZINC001322732093 911928267 /nfs/dbraw/zinc/92/82/67/911928267.db2.gz WYNZWVWZXBQVOT-LLVKDONJSA-N 2 2 268.361 0.019 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCC[NH2+]CCO ZINC001322732093 911928284 /nfs/dbraw/zinc/92/82/84/911928284.db2.gz WYNZWVWZXBQVOT-LLVKDONJSA-N 2 2 268.361 0.019 20 0 CCADLP COC[C@H](C)[N@H+](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001392713777 912108722 /nfs/dbraw/zinc/10/87/22/912108722.db2.gz OPLQAABXCQOXJH-QWRGUYRKSA-N 2 2 282.388 0.732 20 0 CCADLP COC[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001392713777 912108727 /nfs/dbraw/zinc/10/87/27/912108727.db2.gz OPLQAABXCQOXJH-QWRGUYRKSA-N 2 2 282.388 0.732 20 0 CCADLP CC(C)[NH2+]C[C@H](NC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001323095501 912112268 /nfs/dbraw/zinc/11/22/68/912112268.db2.gz YRLCQNWULVYVJA-ZDUSSCGKSA-N 2 2 264.373 0.855 20 0 CCADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1CCNC1=O ZINC001328004517 914918362 /nfs/dbraw/zinc/91/83/62/914918362.db2.gz SPHHSTCQUJQECN-SNVBAGLBSA-N 2 2 285.307 0.650 20 0 CCADLP O=C1CC[C@H](C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)O1 ZINC001328435724 915193120 /nfs/dbraw/zinc/19/31/20/915193120.db2.gz CKLCUDDJJVALGA-CHWSQXEVSA-N 2 2 268.357 0.223 20 0 CCADLP O=C1CC[C@H](C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)O1 ZINC001328435724 915193124 /nfs/dbraw/zinc/19/31/24/915193124.db2.gz CKLCUDDJJVALGA-CHWSQXEVSA-N 2 2 268.357 0.223 20 0 CCADLP O=C1NCCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001328478168 915223392 /nfs/dbraw/zinc/22/33/92/915223392.db2.gz OBEJEFVZBIPWSV-OLZOCXBDSA-N 2 2 267.373 0.108 20 0 CCADLP Cc1cc(C[N@H+](C)CCNC(=O)C[NH+]2CCCC2)on1 ZINC001399649398 915291349 /nfs/dbraw/zinc/29/13/49/915291349.db2.gz WQPYTUHORWMTJT-UHFFFAOYSA-N 2 2 280.372 0.627 20 0 CCADLP Cc1cc(C[N@@H+](C)CCNC(=O)C[NH+]2CCCC2)on1 ZINC001399649398 915291361 /nfs/dbraw/zinc/29/13/61/915291361.db2.gz WQPYTUHORWMTJT-UHFFFAOYSA-N 2 2 280.372 0.627 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[NH2+]1 ZINC001328646451 915328671 /nfs/dbraw/zinc/32/86/71/915328671.db2.gz SCPWVPRFXRZHEF-UTUOFQBUSA-N 2 2 262.357 0.702 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC[NH2+]1 ZINC001328646447 915329669 /nfs/dbraw/zinc/32/96/69/915329669.db2.gz SCPWVPRFXRZHEF-GRYCIOLGSA-N 2 2 262.357 0.702 20 0 CCADLP CO[C@H](C)C[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001418014400 921766044 /nfs/dbraw/zinc/76/60/44/921766044.db2.gz PUBVLDWNFMIEOJ-DGCLKSJQSA-N 2 2 280.372 0.402 20 0 CCADLP COCCC[NH2+]CC1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001328940523 915531122 /nfs/dbraw/zinc/53/11/22/915531122.db2.gz JHBFFQKNCHVHSB-UHFFFAOYSA-N 2 2 294.399 0.484 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001400197670 915617461 /nfs/dbraw/zinc/61/74/61/915617461.db2.gz TYEJFYYIOXBQRA-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001400197670 915617466 /nfs/dbraw/zinc/61/74/66/915617466.db2.gz TYEJFYYIOXBQRA-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP O=C(NCCCCNc1cccc[nH+]1)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001329648313 916095216 /nfs/dbraw/zinc/09/52/16/916095216.db2.gz SDYNKLBQOJXXNP-SGMGOOAPSA-N 2 2 274.368 0.998 20 0 CCADLP [NH3+][C@H]1C[C@H](C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC001329798787 916192300 /nfs/dbraw/zinc/19/23/00/916192300.db2.gz HJHCDUZTUVCAMS-SHTZXODSSA-N 3 2 296.459 0.110 20 0 CCADLP [NH3+][C@H]1C[C@H](C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC001329798787 916192311 /nfs/dbraw/zinc/19/23/11/916192311.db2.gz HJHCDUZTUVCAMS-SHTZXODSSA-N 3 2 296.459 0.110 20 0 CCADLP COC[C@H](C)[NH2+][C@@H](CNC(=O)Cc1c[nH+]cn1C)C(C)C ZINC001401398884 916245484 /nfs/dbraw/zinc/24/54/84/916245484.db2.gz ZFEYFRMXGBRHCM-JSGCOSHPSA-N 2 2 296.415 0.728 20 0 CCADLP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC001330343520 916565046 /nfs/dbraw/zinc/56/50/46/916565046.db2.gz QTXKTRNTBNZOSJ-YKHJJTLOSA-N 2 2 295.427 0.864 20 0 CCADLP CN1CC[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1=O ZINC001330608730 916740508 /nfs/dbraw/zinc/74/05/08/916740508.db2.gz KISUCQIWXZNWDL-CHWSQXEVSA-N 2 2 267.373 0.060 20 0 CCADLP CC(=O)N1CC[C@H](C[N@@H+](C)CCc2c[nH+]cn2C)C1 ZINC001330655336 916769510 /nfs/dbraw/zinc/76/95/10/916769510.db2.gz OOUFYHZPSXQBRR-CYBMUJFWSA-N 2 2 264.373 0.763 20 0 CCADLP CC(=O)N1CC[C@H](C[N@H+](C)CCc2c[nH+]cn2C)C1 ZINC001330655336 916769516 /nfs/dbraw/zinc/76/95/16/916769516.db2.gz OOUFYHZPSXQBRR-CYBMUJFWSA-N 2 2 264.373 0.763 20 0 CCADLP CCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001402229978 916881020 /nfs/dbraw/zinc/88/10/20/916881020.db2.gz LDOOMTLOOOSQLH-CYBMUJFWSA-N 2 2 298.431 0.043 20 0 CCADLP CCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001402229978 916881033 /nfs/dbraw/zinc/88/10/33/916881033.db2.gz LDOOMTLOOOSQLH-CYBMUJFWSA-N 2 2 298.431 0.043 20 0 CCADLP CCCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001402229978 916881047 /nfs/dbraw/zinc/88/10/47/916881047.db2.gz LDOOMTLOOOSQLH-CYBMUJFWSA-N 2 2 298.431 0.043 20 0 CCADLP CCCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001402229978 916881058 /nfs/dbraw/zinc/88/10/58/916881058.db2.gz LDOOMTLOOOSQLH-CYBMUJFWSA-N 2 2 298.431 0.043 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCO)C2 ZINC001402402740 916998197 /nfs/dbraw/zinc/99/81/97/916998197.db2.gz IMWWJTMDZKGPGN-YUTCNCBUSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2 ZINC001402402740 916998208 /nfs/dbraw/zinc/99/82/08/916998208.db2.gz IMWWJTMDZKGPGN-YUTCNCBUSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCO)C2 ZINC001402402740 916998218 /nfs/dbraw/zinc/99/82/18/916998218.db2.gz IMWWJTMDZKGPGN-YUTCNCBUSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2 ZINC001402402740 916998226 /nfs/dbraw/zinc/99/82/26/916998226.db2.gz IMWWJTMDZKGPGN-YUTCNCBUSA-N 2 2 292.383 0.304 20 0 CCADLP CCC[N@H+](C)CCC(=O)NC[C@H]1COCC[NH+]1CC ZINC001402540960 917084842 /nfs/dbraw/zinc/08/48/42/917084842.db2.gz ZLDOFMJJBVQYIR-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[N@@H+](C)CCC(=O)NC[C@H]1COCC[NH+]1CC ZINC001402540960 917084856 /nfs/dbraw/zinc/08/48/56/917084856.db2.gz ZLDOFMJJBVQYIR-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[NH+](C)CCC(=O)NC[C@H]1COCC[N@@H+]1CC ZINC001402540960 917084872 /nfs/dbraw/zinc/08/48/72/917084872.db2.gz ZLDOFMJJBVQYIR-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[NH+](C)CCC(=O)NC[C@H]1COCC[N@H+]1CC ZINC001402540960 917084884 /nfs/dbraw/zinc/08/48/84/917084884.db2.gz ZLDOFMJJBVQYIR-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP CC[C@@H](C)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001402610658 917126821 /nfs/dbraw/zinc/12/68/21/917126821.db2.gz WIOSLWWSWZGBNY-OCCSQVGLSA-N 2 2 294.399 0.815 20 0 CCADLP CC[NH2+]CC1(NC(=O)Cc2c[nH+]cn2C)CCOCC1 ZINC001402747939 917200579 /nfs/dbraw/zinc/20/05/79/917200579.db2.gz HOIANDPNJGDVJA-UHFFFAOYSA-N 2 2 280.372 0.238 20 0 CCADLP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cnsn1 ZINC001403014457 917421612 /nfs/dbraw/zinc/42/16/12/917421612.db2.gz HMXRMPVHBDBHOJ-MNOVXSKESA-N 2 2 299.444 0.863 20 0 CCADLP CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cnsn1 ZINC001403014457 917421620 /nfs/dbraw/zinc/42/16/20/917421620.db2.gz HMXRMPVHBDBHOJ-MNOVXSKESA-N 2 2 299.444 0.863 20 0 CCADLP CCCC[NH2+][C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001331789602 917608851 /nfs/dbraw/zinc/60/88/51/917608851.db2.gz JUNMBKNDVRILTE-YNEHKIRRSA-N 2 2 294.399 0.390 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001403240391 917610688 /nfs/dbraw/zinc/61/06/88/917610688.db2.gz VBUJEVNAAOBKHI-ZIAGYGMSSA-N 2 2 297.443 0.680 20 0 CCADLP C/C(=C/C(=O)NCC[NH+]1CC=CC1)C[NH+]1CCOCC1 ZINC001331915540 917711043 /nfs/dbraw/zinc/71/10/43/917711043.db2.gz LXWLAETXYNGDSB-OWBHPGMISA-N 2 2 279.384 0.253 20 0 CCADLP CO[C@H](C)C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001403680600 917918540 /nfs/dbraw/zinc/91/85/40/917918540.db2.gz HABGZQGSXXKCTJ-JHJVBQTASA-N 2 2 294.399 0.607 20 0 CCADLP CO[C@H](C)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001403680600 917918555 /nfs/dbraw/zinc/91/85/55/917918555.db2.gz HABGZQGSXXKCTJ-JHJVBQTASA-N 2 2 294.399 0.607 20 0 CCADLP CC(C)(C)CC[NH2+][C@@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001403697985 917939062 /nfs/dbraw/zinc/93/90/62/917939062.db2.gz HHRKYQQTAMNBIF-GFCCVEGCSA-N 2 2 282.388 0.455 20 0 CCADLP CC[C@H](C(=O)NCC[N@H+](C)Cc1ccnn1C)[NH+](C)C ZINC001403733638 917975621 /nfs/dbraw/zinc/97/56/21/917975621.db2.gz BSEFZZFLPUCRJG-CYBMUJFWSA-N 2 2 281.404 0.308 20 0 CCADLP CC[C@H](C(=O)NCC[N@@H+](C)Cc1ccnn1C)[NH+](C)C ZINC001403733638 917975628 /nfs/dbraw/zinc/97/56/28/917975628.db2.gz BSEFZZFLPUCRJG-CYBMUJFWSA-N 2 2 281.404 0.308 20 0 CCADLP CC(C)N(CC[N@@H+](C)C[C@@H](C)O)C(=O)Cc1c[nH+]cn1C ZINC001403933310 918133719 /nfs/dbraw/zinc/13/37/19/918133719.db2.gz FJSPQXXWIDEFKG-CYBMUJFWSA-N 2 2 296.415 0.512 20 0 CCADLP CC(C)N(CC[N@H+](C)C[C@@H](C)O)C(=O)Cc1c[nH+]cn1C ZINC001403933310 918133731 /nfs/dbraw/zinc/13/37/31/918133731.db2.gz FJSPQXXWIDEFKG-CYBMUJFWSA-N 2 2 296.415 0.512 20 0 CCADLP NC(C[NH+]1CCCCC1)=NOCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001332448021 918165942 /nfs/dbraw/zinc/16/59/42/918165942.db2.gz KEYCHBRBJSAVMQ-OKILXGFUSA-N 2 2 296.415 0.834 20 0 CCADLP NC(C[NH+]1CCCCC1)=NOCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001332448021 918165952 /nfs/dbraw/zinc/16/59/52/918165952.db2.gz KEYCHBRBJSAVMQ-OKILXGFUSA-N 2 2 296.415 0.834 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)NCC[NH+]1CC=CC1 ZINC001332454356 918169548 /nfs/dbraw/zinc/16/95/48/918169548.db2.gz KHXXZJWRZJXLQA-UHFFFAOYSA-N 2 2 262.357 0.995 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]([NH2+]CCO)c1ccccc1 ZINC001404379899 918330593 /nfs/dbraw/zinc/33/05/93/918330593.db2.gz QCIMUQUFDJVMPC-CQSZACIVSA-N 2 2 288.351 0.323 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C[NH2+]CCO)C(C)(C)C ZINC001332872527 918501288 /nfs/dbraw/zinc/50/12/88/918501288.db2.gz CGWXSPASIPYJDY-YPMHNXCESA-N 2 2 296.415 0.701 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C[NH2+]CCO)C(C)(C)C ZINC001332872527 918501302 /nfs/dbraw/zinc/50/13/02/918501302.db2.gz CGWXSPASIPYJDY-YPMHNXCESA-N 2 2 296.415 0.701 20 0 CCADLP C[C@H](O)CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001404985110 918548323 /nfs/dbraw/zinc/54/83/23/918548323.db2.gz LQOFOOWZFQBORV-IHRRRGAJSA-N 2 2 292.383 0.329 20 0 CCADLP C[C@H](O)CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001404985110 918548328 /nfs/dbraw/zinc/54/83/28/918548328.db2.gz LQOFOOWZFQBORV-IHRRRGAJSA-N 2 2 292.383 0.329 20 0 CCADLP Cc1cnc(C[N@H+]2CC[C@@H](N(C)C(=O)CC[NH+](C)C)C2)o1 ZINC001405126592 918612752 /nfs/dbraw/zinc/61/27/52/918612752.db2.gz UBRBMCBCQCMPCK-CYBMUJFWSA-N 2 2 294.399 0.967 20 0 CCADLP Cc1cnc(C[N@@H+]2CC[C@@H](N(C)C(=O)CC[NH+](C)C)C2)o1 ZINC001405126592 918612756 /nfs/dbraw/zinc/61/27/56/918612756.db2.gz UBRBMCBCQCMPCK-CYBMUJFWSA-N 2 2 294.399 0.967 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC1([NH2+]CCO)CCCC1 ZINC001405787724 918896524 /nfs/dbraw/zinc/89/65/24/918896524.db2.gz XOOOCOOJJDLXRE-UHFFFAOYSA-N 2 2 294.399 0.364 20 0 CCADLP C[C@@H](C[NH2+]Cc1ccnn1C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001405877686 918955844 /nfs/dbraw/zinc/95/58/44/918955844.db2.gz VOXCRNROCNDPMG-NSHDSACASA-N 2 2 290.371 0.322 20 0 CCADLP CC(C)C[C@@H](C[NH2+]C[C@H](C)O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001405940499 918978907 /nfs/dbraw/zinc/97/89/07/918978907.db2.gz NIRSTJVNRPDBMS-RYUDHWBXSA-N 2 2 282.388 0.454 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[N@@H+](C)CCC[C@H](C)O ZINC001406155719 919081674 /nfs/dbraw/zinc/08/16/74/919081674.db2.gz JGAZUKFNHAHFIJ-LBPRGKRZSA-N 2 2 296.415 0.812 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[N@H+](C)CCC[C@H](C)O ZINC001406155719 919081685 /nfs/dbraw/zinc/08/16/85/919081685.db2.gz JGAZUKFNHAHFIJ-LBPRGKRZSA-N 2 2 296.415 0.812 20 0 CCADLP C[N@H+](CC(=O)NC[C@@H]1CC[NH+]1CCO)Cc1ccccc1 ZINC001406900360 919525416 /nfs/dbraw/zinc/52/54/16/919525416.db2.gz XTIDBQSNZKIUCC-HNNXBMFYSA-N 2 2 291.395 0.301 20 0 CCADLP C[N@@H+](CC(=O)NC[C@@H]1CC[NH+]1CCO)Cc1ccccc1 ZINC001406900360 919525431 /nfs/dbraw/zinc/52/54/31/919525431.db2.gz XTIDBQSNZKIUCC-HNNXBMFYSA-N 2 2 291.395 0.301 20 0 CCADLP C[NH+](CC(=O)NC[C@@H]1CC[N@@H+]1CCO)Cc1ccccc1 ZINC001406900360 919525441 /nfs/dbraw/zinc/52/54/41/919525441.db2.gz XTIDBQSNZKIUCC-HNNXBMFYSA-N 2 2 291.395 0.301 20 0 CCADLP C[NH+](CC(=O)NC[C@@H]1CC[N@H+]1CCO)Cc1ccccc1 ZINC001406900360 919525453 /nfs/dbraw/zinc/52/54/53/919525453.db2.gz XTIDBQSNZKIUCC-HNNXBMFYSA-N 2 2 291.395 0.301 20 0 CCADLP O[C@@H](C[NH2+]CCCCn1cc[nH+]c1)C[C@@]1(O)CCOC1 ZINC001334765383 919749970 /nfs/dbraw/zinc/74/99/70/919749970.db2.gz VOEVRGTUWKMKHJ-KGLIPLIRSA-N 2 2 283.372 0.155 20 0 CCADLP C[C@H](O)C[N@H+](C)CCCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001407921092 919957439 /nfs/dbraw/zinc/95/74/39/919957439.db2.gz PHVLISCKOQIFRI-KBPBESRZSA-N 2 2 296.415 0.995 20 0 CCADLP C[C@H](O)C[N@@H+](C)CCCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001407921092 919957454 /nfs/dbraw/zinc/95/74/54/919957454.db2.gz PHVLISCKOQIFRI-KBPBESRZSA-N 2 2 296.415 0.995 20 0 CCADLP CC[NH2+]CC1(O)CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001408169971 920077556 /nfs/dbraw/zinc/07/75/56/920077556.db2.gz HWEXDMOSVJRPRP-UHFFFAOYSA-N 2 2 294.399 0.316 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)N[C@H]2C=CCCC2)CC1 ZINC001335539410 920261126 /nfs/dbraw/zinc/26/11/26/920261126.db2.gz GNLYQQDNBJUFRQ-ZDUSSCGKSA-N 2 2 266.389 0.817 20 0 CCADLP CCO[C@@H](CNC(=O)NCc1ccc[nH+]c1N)C[NH+](C)C ZINC001414720564 920483724 /nfs/dbraw/zinc/48/37/24/920483724.db2.gz FPNRZLUAFZAMOB-LBPRGKRZSA-N 2 2 295.387 0.430 20 0 CCADLP COC[C@@H](O)C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001336733395 920963485 /nfs/dbraw/zinc/96/34/85/920963485.db2.gz PDVQOBXMIIKQLR-RYUDHWBXSA-N 2 2 255.362 0.895 20 0 CCADLP CCc1cnc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001418218008 921928458 /nfs/dbraw/zinc/92/84/58/921928458.db2.gz XZLVKHDGXYQPBK-AAEUAGOBSA-N 2 2 294.399 0.926 20 0 CCADLP CCc1cnc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001418218008 921928472 /nfs/dbraw/zinc/92/84/72/921928472.db2.gz XZLVKHDGXYQPBK-AAEUAGOBSA-N 2 2 294.399 0.926 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)[NH2+]C[C@@H](C)O)ccn12 ZINC001418220259 921934044 /nfs/dbraw/zinc/93/40/44/921934044.db2.gz ISXALFWMHUCWJT-CMPLNLGQSA-N 2 2 290.367 0.731 20 0 CCADLP Cc1nccnc1C[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001418320841 922026488 /nfs/dbraw/zinc/02/64/88/922026488.db2.gz JNJGLHKEVDHUQC-NSHDSACASA-N 2 2 288.355 0.276 20 0 CCADLP C[NH+](C)CCCC(=O)N1CC[C@H]([NH2+]Cc2csnn2)C1 ZINC001418332045 922034197 /nfs/dbraw/zinc/03/41/97/922034197.db2.gz YPQBTUUVRARCNZ-NSHDSACASA-N 2 2 297.428 0.570 20 0 CCADLP C[C@H](O)C[NH2+][C@@H](C)CCNC(=O)CCc1c[nH+]cn1C ZINC001418429796 922100158 /nfs/dbraw/zinc/10/01/58/922100158.db2.gz HCZFELCBEJPYFR-RYUDHWBXSA-N 2 2 282.388 0.218 20 0 CCADLP CCOC1CC(C[N@H+](C)CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001418498417 922188927 /nfs/dbraw/zinc/18/89/27/922188927.db2.gz JFMYEWIMZWCFNQ-UHFFFAOYSA-N 2 2 294.399 0.815 20 0 CCADLP CCOC1CC(C[N@@H+](C)CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001418498417 922188942 /nfs/dbraw/zinc/18/89/42/922188942.db2.gz JFMYEWIMZWCFNQ-UHFFFAOYSA-N 2 2 294.399 0.815 20 0 CCADLP [NH3+][C@@H](CC(=O)N1CCC2(C1)CC[NH2+]CC2)C(F)F ZINC001341748015 922654338 /nfs/dbraw/zinc/65/43/38/922654338.db2.gz LORDTXBBOICASZ-VIFPVBQESA-N 2 2 261.316 0.571 20 0 CCADLP CCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](C[C@@H](C)OC)C1 ZINC001419169287 922685357 /nfs/dbraw/zinc/68/53/57/922685357.db2.gz XUELCXQGUQJOIG-KGLIPLIRSA-N 2 2 294.399 0.841 20 0 CCADLP CCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](C[C@@H](C)OC)C1 ZINC001419169287 922685364 /nfs/dbraw/zinc/68/53/64/922685364.db2.gz XUELCXQGUQJOIG-KGLIPLIRSA-N 2 2 294.399 0.841 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001341956559 922736530 /nfs/dbraw/zinc/73/65/30/922736530.db2.gz AQERDIGOTJUPGR-CMPLNLGQSA-N 2 2 266.345 0.165 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001341956559 922736542 /nfs/dbraw/zinc/73/65/42/922736542.db2.gz AQERDIGOTJUPGR-CMPLNLGQSA-N 2 2 266.345 0.165 20 0 CCADLP [NH3+][C@@H](CC(=O)NCC[C@H]1CSCC[NH2+]1)C(F)F ZINC001341991282 922756132 /nfs/dbraw/zinc/75/61/32/922756132.db2.gz ZNYNHNJPDQRFBR-YUMQZZPRSA-N 2 2 267.345 0.180 20 0 CCADLP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001342125564 922816617 /nfs/dbraw/zinc/81/66/17/922816617.db2.gz PZIZGNMAPVRFFK-MWLCHTKSSA-N 2 2 262.313 0.489 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CCC1C[NH2+]C1 ZINC001342196481 922856485 /nfs/dbraw/zinc/85/64/85/922856485.db2.gz SILUZOZZIGJQBN-LBPRGKRZSA-N 2 2 269.389 0.165 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001342254871 922877124 /nfs/dbraw/zinc/87/71/24/922877124.db2.gz SFISJPXODWIZJQ-NSHDSACASA-N 2 2 264.373 0.982 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC001342304427 922902841 /nfs/dbraw/zinc/90/28/41/922902841.db2.gz WOWKDDDSIXDKTB-VXGBXAGGSA-N 2 2 257.378 0.164 20 0 CCADLP CCCCO[C@@H](C)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001342476282 922975441 /nfs/dbraw/zinc/97/54/41/922975441.db2.gz MKSZBODEJQUTEG-LBPRGKRZSA-N 2 2 271.405 0.731 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cnccn1 ZINC001419954517 923188720 /nfs/dbraw/zinc/18/87/20/923188720.db2.gz HBSSFZAVUZNVJQ-RYUDHWBXSA-N 2 2 288.355 0.529 20 0 CCADLP CN(CC[N@H+](C)Cc1ccnn1C)C(=O)CCC[NH+](C)C ZINC001420010758 923234318 /nfs/dbraw/zinc/23/43/18/923234318.db2.gz FFZKCKQVFXGVSE-UHFFFAOYSA-N 2 2 295.431 0.652 20 0 CCADLP CN(CC[N@@H+](C)Cc1ccnn1C)C(=O)CCC[NH+](C)C ZINC001420010758 923234330 /nfs/dbraw/zinc/23/43/30/923234330.db2.gz FFZKCKQVFXGVSE-UHFFFAOYSA-N 2 2 295.431 0.652 20 0 CCADLP [NH3+][C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C12CCC2 ZINC001343199323 923234171 /nfs/dbraw/zinc/23/41/71/923234171.db2.gz ABMDFPMNXNYXFZ-CNVPUSNMSA-N 2 2 260.341 0.899 20 0 CCADLP [NH3+][C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C12CCC2 ZINC001343199323 923234181 /nfs/dbraw/zinc/23/41/81/923234181.db2.gz ABMDFPMNXNYXFZ-CNVPUSNMSA-N 2 2 260.341 0.899 20 0 CCADLP C[C@H](C(=O)NCC[N@@H+]1CCCOCC1)n1cc[nH+]c1 ZINC001343306285 923265839 /nfs/dbraw/zinc/26/58/39/923265839.db2.gz WCMVCGLUXWSXRI-GFCCVEGCSA-N 2 2 266.345 0.283 20 0 CCADLP C[C@H](C(=O)NCC[N@H+]1CCCOCC1)n1cc[nH+]c1 ZINC001343306285 923265850 /nfs/dbraw/zinc/26/58/50/923265850.db2.gz WCMVCGLUXWSXRI-GFCCVEGCSA-N 2 2 266.345 0.283 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H](C)[NH3+])[N@@H+]1CCO[C@H](CC)C1 ZINC001343487188 923346923 /nfs/dbraw/zinc/34/69/23/923346923.db2.gz LYWLSPZMHMVBMU-UTUOFQBUSA-N 2 2 257.378 0.339 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H](C)[NH3+])[N@H+]1CCO[C@H](CC)C1 ZINC001343487188 923346944 /nfs/dbraw/zinc/34/69/44/923346944.db2.gz LYWLSPZMHMVBMU-UTUOFQBUSA-N 2 2 257.378 0.339 20 0 CCADLP CC(C)C[NH2+]C[C@H](O)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001420178259 923372157 /nfs/dbraw/zinc/37/21/57/923372157.db2.gz LXGBSAYDDLPYBA-OLZOCXBDSA-N 2 2 282.388 0.557 20 0 CCADLP CC[C@H](F)C[NH2+]C[C@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001420197635 923398372 /nfs/dbraw/zinc/39/83/72/923398372.db2.gz IZRRSJKWTFWHQG-QWRGUYRKSA-N 2 2 286.351 0.075 20 0 CCADLP [NH3+][C@H](CC(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1)C(F)F ZINC001343715141 923439032 /nfs/dbraw/zinc/43/90/32/923439032.db2.gz SNEYOAOCKAVNGQ-RKDXNWHRSA-N 2 2 261.316 0.760 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)C[NH+]2CCCC2)o1 ZINC001420370239 923587037 /nfs/dbraw/zinc/58/70/37/923587037.db2.gz KWZGRKQNXNIBDQ-GHMZBOCLSA-N 2 2 295.387 0.629 20 0 CCADLP C[C@@H](C[N@H+](C)C[C@H]1CCOC1)NC(=O)CCn1cc[nH+]c1 ZINC001420614242 923825822 /nfs/dbraw/zinc/82/58/22/923825822.db2.gz HFWBZVDKPOCMAV-UONOGXRCSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@@H](C[N@@H+](C)C[C@H]1CCOC1)NC(=O)CCn1cc[nH+]c1 ZINC001420614242 923825832 /nfs/dbraw/zinc/82/58/32/923825832.db2.gz HFWBZVDKPOCMAV-UONOGXRCSA-N 2 2 294.399 0.746 20 0 CCADLP COC[C@@H](C)[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001420693227 923877241 /nfs/dbraw/zinc/87/72/41/923877241.db2.gz UHQFFAYWXMLVQO-LLVKDONJSA-N 2 2 280.372 0.568 20 0 CCADLP COC[C@@H](C)[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001420693227 923877247 /nfs/dbraw/zinc/87/72/47/923877247.db2.gz UHQFFAYWXMLVQO-LLVKDONJSA-N 2 2 280.372 0.568 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@H+]1CCOC(C)C ZINC001420846120 923975635 /nfs/dbraw/zinc/97/56/35/923975635.db2.gz JBYWZDKUCZBSGX-CQSZACIVSA-N 2 2 294.399 0.807 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@@H+]1CCOC(C)C ZINC001420846120 923975645 /nfs/dbraw/zinc/97/56/45/923975645.db2.gz JBYWZDKUCZBSGX-CQSZACIVSA-N 2 2 294.399 0.807 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001421229755 924231384 /nfs/dbraw/zinc/23/13/84/924231384.db2.gz ZRWARMQCBQWOMZ-GXTWGEPZSA-N 2 2 280.372 0.499 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001421229755 924231397 /nfs/dbraw/zinc/23/13/97/924231397.db2.gz ZRWARMQCBQWOMZ-GXTWGEPZSA-N 2 2 280.372 0.499 20 0 CCADLP CCC1(C)CN(C(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC001346569152 924267191 /nfs/dbraw/zinc/26/71/91/924267191.db2.gz DRXGQBNQOXFJSF-UHFFFAOYSA-N 2 2 268.405 0.851 20 0 CCADLP C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001347099212 924371254 /nfs/dbraw/zinc/37/12/54/924371254.db2.gz ULUXXGGJHWDYML-GHMZBOCLSA-N 2 2 250.346 0.560 20 0 CCADLP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)/C=C\C[NH+]3CCOCC3)[C@@H]2C1 ZINC001348223503 924621975 /nfs/dbraw/zinc/62/19/75/924621975.db2.gz DOLYZWJJICTHSP-MCUHTGCWSA-N 2 2 293.411 0.331 20 0 CCADLP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)/C=C\C[NH+]3CCOCC3)[C@@H]2C1 ZINC001348223503 924621980 /nfs/dbraw/zinc/62/19/80/924621980.db2.gz DOLYZWJJICTHSP-MCUHTGCWSA-N 2 2 293.411 0.331 20 0 CCADLP C[C@H](C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)n1cc[nH+]c1 ZINC001349735511 925037098 /nfs/dbraw/zinc/03/70/98/925037098.db2.gz SGNNUFNNGCJMNA-JHJVBQTASA-N 2 2 262.357 0.997 20 0 CCADLP C[C@H](C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1)n1cc[nH+]c1 ZINC001349735511 925037107 /nfs/dbraw/zinc/03/71/07/925037107.db2.gz SGNNUFNNGCJMNA-JHJVBQTASA-N 2 2 262.357 0.997 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC001353623625 925886812 /nfs/dbraw/zinc/88/68/12/925886812.db2.gz SVXCTHVXBHPSDW-NNYUYHANSA-N 2 2 262.357 0.910 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001353666926 925898888 /nfs/dbraw/zinc/89/88/88/925898888.db2.gz RDNQNJQLSKNAQP-CMPLNLGQSA-N 2 2 266.345 0.083 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001353666926 925898894 /nfs/dbraw/zinc/89/88/94/925898894.db2.gz RDNQNJQLSKNAQP-CMPLNLGQSA-N 2 2 266.345 0.083 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001357446951 926534515 /nfs/dbraw/zinc/53/45/15/926534515.db2.gz VCCTUJHXEAEWFM-MXWKQRLJSA-N 2 2 250.346 0.784 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001357446951 926534523 /nfs/dbraw/zinc/53/45/23/926534523.db2.gz VCCTUJHXEAEWFM-MXWKQRLJSA-N 2 2 250.346 0.784 20 0 CCADLP [NH3+][C@@H](CC(=O)N1CC[C@]2(C1)CCCC[NH2+]2)C(F)F ZINC001358322699 926673357 /nfs/dbraw/zinc/67/33/57/926673357.db2.gz PAWBXSIUGFHJKI-CABZTGNLSA-N 2 2 261.316 0.714 20 0 CCADLP CC[C@H](C)C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001421390984 926725292 /nfs/dbraw/zinc/72/52/92/926725292.db2.gz MAYWCKNBKJKYRE-DZGCQCFKSA-N 2 2 294.399 0.482 20 0 CCADLP CC[C@H](C)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001421390984 926725299 /nfs/dbraw/zinc/72/52/99/926725299.db2.gz MAYWCKNBKJKYRE-DZGCQCFKSA-N 2 2 294.399 0.482 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NCC1(O)C[NH+](CC2CCC2)C1 ZINC001421418626 926740205 /nfs/dbraw/zinc/74/02/05/926740205.db2.gz OZFSIXXNWDPRFI-ZDUSSCGKSA-N 2 2 281.400 0.044 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NCC1(O)C[NH+](CC2CCC2)C1 ZINC001421418626 926740214 /nfs/dbraw/zinc/74/02/14/926740214.db2.gz OZFSIXXNWDPRFI-ZDUSSCGKSA-N 2 2 281.400 0.044 20 0 CCADLP CC[C@H](C(=O)NC[C@@H]1COCC[N@@H+]1CC(C)C)[NH+](C)C ZINC001421702597 926861855 /nfs/dbraw/zinc/86/18/55/926861855.db2.gz HZBSXJBSMFOSMT-ZIAGYGMSSA-N 2 2 285.432 0.800 20 0 CCADLP CC[C@H](C(=O)NC[C@@H]1COCC[N@H+]1CC(C)C)[NH+](C)C ZINC001421702597 926861864 /nfs/dbraw/zinc/86/18/64/926861864.db2.gz HZBSXJBSMFOSMT-ZIAGYGMSSA-N 2 2 285.432 0.800 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@H](C)N(C)C(=O)CCc1[nH+]ccn1C ZINC001421931111 926999023 /nfs/dbraw/zinc/99/90/23/926999023.db2.gz DTPPURMQOGBGCR-STQMWFEESA-N 2 2 296.415 0.824 20 0 CCADLP CC(C)[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001421943331 927008031 /nfs/dbraw/zinc/00/80/31/927008031.db2.gz DODHUAGVZFKYSO-CYBMUJFWSA-N 2 2 285.432 0.942 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1csnn1 ZINC001421984958 927025874 /nfs/dbraw/zinc/02/58/74/927025874.db2.gz GGVVUPJYJVPLTI-LLVKDONJSA-N 2 2 299.444 0.816 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1csnn1 ZINC001421984958 927025886 /nfs/dbraw/zinc/02/58/86/927025886.db2.gz GGVVUPJYJVPLTI-LLVKDONJSA-N 2 2 299.444 0.816 20 0 CCADLP CC[NH2+]CC1(NC(=O)CCc2[nH+]ccn2C)CCOCC1 ZINC001422009873 927037240 /nfs/dbraw/zinc/03/72/40/927037240.db2.gz GINYSPRXJRYTNV-UHFFFAOYSA-N 2 2 294.399 0.628 20 0 CCADLP C[C@H](O)C[NH2+]C1(C)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001422044950 927049121 /nfs/dbraw/zinc/04/91/21/927049121.db2.gz AEJCTIPILCMYBJ-LBPRGKRZSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@H](O)C[NH2+]C1(C)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001422044950 927049134 /nfs/dbraw/zinc/04/91/34/927049134.db2.gz AEJCTIPILCMYBJ-LBPRGKRZSA-N 2 2 294.399 0.694 20 0 CCADLP CC[C@@H](C(=O)N(C)CC[N@@H+](C)Cc1cncn1C)[NH+](C)C ZINC001422202725 927142734 /nfs/dbraw/zinc/14/27/34/927142734.db2.gz YKAROVARFMKBII-AWEZNQCLSA-N 2 2 295.431 0.651 20 0 CCADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001361667876 927233531 /nfs/dbraw/zinc/23/35/31/927233531.db2.gz UOUFKIPRCNZQQE-NSHDSACASA-N 2 2 275.356 0.920 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H](C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC001362070410 927583469 /nfs/dbraw/zinc/58/34/69/927583469.db2.gz SFOYAKPSZYIEQD-CABCVRRESA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[N@H+]1CCC[C@H](C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC001362070410 927583478 /nfs/dbraw/zinc/58/34/78/927583478.db2.gz SFOYAKPSZYIEQD-CABCVRRESA-N 2 2 297.443 0.944 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001423064197 927653996 /nfs/dbraw/zinc/65/39/96/927653996.db2.gz WDHVBLAIYONIFL-WCQYABFASA-N 2 2 280.372 0.402 20 0 CCADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1([NH+](C)C)CCC1 ZINC001362418645 927991539 /nfs/dbraw/zinc/99/15/39/927991539.db2.gz FFABPFWBJJVZMV-NSHDSACASA-N 2 2 294.355 0.094 20 0 CCADLP C[C@H]([NH2+]CCF)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001423957227 928043091 /nfs/dbraw/zinc/04/30/91/928043091.db2.gz VEFYXBYTOTUUPJ-NWDGAFQWSA-N 2 2 282.363 0.759 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001424152487 928114884 /nfs/dbraw/zinc/11/48/84/928114884.db2.gz GFUWTUCVNLDYGD-QWHCGFSZSA-N 2 2 294.399 0.958 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3cnon3)CCC2)C1 ZINC001424211737 928126345 /nfs/dbraw/zinc/12/63/45/928126345.db2.gz BDPSPHHWMOGKSK-NSHDSACASA-N 2 2 293.371 0.150 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3cnon3)CCC2)C1 ZINC001424211737 928126353 /nfs/dbraw/zinc/12/63/53/928126353.db2.gz BDPSPHHWMOGKSK-NSHDSACASA-N 2 2 293.371 0.150 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@H]1CCC[N@@H+](CCCO)CC1 ZINC001424275497 928143232 /nfs/dbraw/zinc/14/32/32/928143232.db2.gz SWWHWIBQZWPGLP-AWEZNQCLSA-N 2 2 294.399 0.626 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@H]1CCC[N@H+](CCCO)CC1 ZINC001424275497 928143237 /nfs/dbraw/zinc/14/32/37/928143237.db2.gz SWWHWIBQZWPGLP-AWEZNQCLSA-N 2 2 294.399 0.626 20 0 CCADLP C[C@@H](O)C[N@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001424717259 928266072 /nfs/dbraw/zinc/26/60/72/928266072.db2.gz VAHWIRBHAIAQNS-DGCLKSJQSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001424717259 928266084 /nfs/dbraw/zinc/26/60/84/928266084.db2.gz VAHWIRBHAIAQNS-DGCLKSJQSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H]([NH2+]CCF)[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001424802023 928301626 /nfs/dbraw/zinc/30/16/26/928301626.db2.gz JOVLKGYATKQSOL-MNOVXSKESA-N 2 2 270.352 0.805 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001425115296 928440864 /nfs/dbraw/zinc/44/08/64/928440864.db2.gz VEPMZYGDVVHGOL-ZIAGYGMSSA-N 2 2 295.427 0.576 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001425115296 928440875 /nfs/dbraw/zinc/44/08/75/928440875.db2.gz VEPMZYGDVVHGOL-ZIAGYGMSSA-N 2 2 295.427 0.576 20 0 CCADLP CC(C)C[NH+]1CC(CCO)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001425132728 928443944 /nfs/dbraw/zinc/44/39/44/928443944.db2.gz LCYCFMSMZPVGBZ-UHFFFAOYSA-N 2 2 294.399 0.172 20 0 CCADLP C[C@@H](O)C[NH+]1CC([C@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001425243095 928474738 /nfs/dbraw/zinc/47/47/38/928474738.db2.gz RRBINAAJNVFNJC-NEPJUHHUSA-N 2 2 280.372 0.091 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001425502472 928568772 /nfs/dbraw/zinc/56/87/72/928568772.db2.gz FFFMPVFJBQTTOH-WCQYABFASA-N 2 2 294.399 0.814 20 0 CCADLP Cc1nonc1C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001425696308 928627938 /nfs/dbraw/zinc/62/79/38/928627938.db2.gz NWXVNLAEOLFCFK-LLVKDONJSA-N 2 2 297.403 0.655 20 0 CCADLP Cc1nonc1C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001425696308 928627941 /nfs/dbraw/zinc/62/79/41/928627941.db2.gz NWXVNLAEOLFCFK-LLVKDONJSA-N 2 2 297.403 0.655 20 0 CCADLP C[C@@H](CC(=O)N(C)C[C@@H](O)C[NH2+]CC1CC1)n1cc[nH+]c1 ZINC001426026237 928733838 /nfs/dbraw/zinc/73/38/38/928733838.db2.gz BBGLPGJROGZNEK-JSGCOSHPSA-N 2 2 294.399 0.653 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1C[NH+]2CCC1CC2 ZINC001363026573 928775144 /nfs/dbraw/zinc/77/51/44/928775144.db2.gz CWSHDKQUIKYURQ-CYBMUJFWSA-N 2 2 276.384 0.811 20 0 CCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCCc1cn(C)c[nH+]1 ZINC001427707161 929087566 /nfs/dbraw/zinc/08/75/66/929087566.db2.gz ZPVOLSFBZOGALW-CYBMUJFWSA-N 2 2 279.388 0.698 20 0 CCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)NCCc1cn(C)c[nH+]1 ZINC001427707161 929087578 /nfs/dbraw/zinc/08/75/78/929087578.db2.gz ZPVOLSFBZOGALW-CYBMUJFWSA-N 2 2 279.388 0.698 20 0 CCADLP Cn1c[nH+]cc1C1CC[NH+](C[C@H](O)C2(O)CCC2)CC1 ZINC001363332015 929125002 /nfs/dbraw/zinc/12/50/02/929125002.db2.gz PNPHTWDCITVDGB-AWEZNQCLSA-N 2 2 279.384 0.875 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ncc(Cl)cn1 ZINC001363474939 929277197 /nfs/dbraw/zinc/27/71/97/929277197.db2.gz KQIXUVHKBKDEGK-UHFFFAOYSA-N 2 2 299.806 0.743 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ncc(Cl)cn1 ZINC001363474939 929277208 /nfs/dbraw/zinc/27/72/08/929277208.db2.gz KQIXUVHKBKDEGK-UHFFFAOYSA-N 2 2 299.806 0.743 20 0 CCADLP C[N@H+](CC(=O)N[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CCC[C@H]1O ZINC001363536601 929337006 /nfs/dbraw/zinc/33/70/06/929337006.db2.gz YVXQLFXZEHKETP-MRVWCRGKSA-N 2 2 292.383 0.159 20 0 CCADLP C[N@@H+](CC(=O)N[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CCC[C@H]1O ZINC001363536601 929337019 /nfs/dbraw/zinc/33/70/19/929337019.db2.gz YVXQLFXZEHKETP-MRVWCRGKSA-N 2 2 292.383 0.159 20 0 CCADLP CCc1[nH]c(CNC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)c[nH+]1 ZINC001363601440 929408619 /nfs/dbraw/zinc/40/86/19/929408619.db2.gz JHPMNECOMMPKTP-VXGBXAGGSA-N 2 2 280.372 0.434 20 0 CCADLP CCc1[nH]c(CNC(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)c[nH+]1 ZINC001363601440 929408627 /nfs/dbraw/zinc/40/86/27/929408627.db2.gz JHPMNECOMMPKTP-VXGBXAGGSA-N 2 2 280.372 0.434 20 0 CCADLP CCc1[nH]cc(CNC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)[nH+]1 ZINC001363601440 929408638 /nfs/dbraw/zinc/40/86/38/929408638.db2.gz JHPMNECOMMPKTP-VXGBXAGGSA-N 2 2 280.372 0.434 20 0 CCADLP CCc1[nH]cc(CNC(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)[nH+]1 ZINC001363601440 929408645 /nfs/dbraw/zinc/40/86/45/929408645.db2.gz JHPMNECOMMPKTP-VXGBXAGGSA-N 2 2 280.372 0.434 20 0 CCADLP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CC([NH2+]C2COC2)C1 ZINC001363769490 929557616 /nfs/dbraw/zinc/55/76/16/929557616.db2.gz SXLPSBQITYVKLU-OAHLLOKOSA-N 2 2 293.411 0.593 20 0 CCADLP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CC([NH2+]C2COC2)C1 ZINC001363769490 929557624 /nfs/dbraw/zinc/55/76/24/929557624.db2.gz SXLPSBQITYVKLU-OAHLLOKOSA-N 2 2 293.411 0.593 20 0 CCADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1C[C@H](O)C2(CC2)C1 ZINC001363787038 929573881 /nfs/dbraw/zinc/57/38/81/929573881.db2.gz VBLXEXQWLLQHHM-CVEARBPZSA-N 2 2 290.407 0.936 20 0 CCADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1C[C@H](O)C2(CC2)C1 ZINC001363787038 929573886 /nfs/dbraw/zinc/57/38/86/929573886.db2.gz VBLXEXQWLLQHHM-CVEARBPZSA-N 2 2 290.407 0.936 20 0 CCADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC001363787038 929573891 /nfs/dbraw/zinc/57/38/91/929573891.db2.gz VBLXEXQWLLQHHM-CVEARBPZSA-N 2 2 290.407 0.936 20 0 CCADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC001363787038 929573895 /nfs/dbraw/zinc/57/38/95/929573895.db2.gz VBLXEXQWLLQHHM-CVEARBPZSA-N 2 2 290.407 0.936 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001363805393 929596329 /nfs/dbraw/zinc/59/63/29/929596329.db2.gz JXVCMCCORQIMPF-WCQYABFASA-N 2 2 278.356 0.783 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001363805393 929596335 /nfs/dbraw/zinc/59/63/35/929596335.db2.gz JXVCMCCORQIMPF-WCQYABFASA-N 2 2 278.356 0.783 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2ncccn2)C1 ZINC001363844630 929627633 /nfs/dbraw/zinc/62/76/33/929627633.db2.gz LETVWAMJRRGNQW-ZIAGYGMSSA-N 2 2 278.400 0.967 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2ncccn2)C1 ZINC001363844630 929627640 /nfs/dbraw/zinc/62/76/40/929627640.db2.gz LETVWAMJRRGNQW-ZIAGYGMSSA-N 2 2 278.400 0.967 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](c2ncccn2)C1 ZINC001363844630 929627648 /nfs/dbraw/zinc/62/76/48/929627648.db2.gz LETVWAMJRRGNQW-ZIAGYGMSSA-N 2 2 278.400 0.967 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](c2ncccn2)C1 ZINC001363844630 929627659 /nfs/dbraw/zinc/62/76/59/929627659.db2.gz LETVWAMJRRGNQW-ZIAGYGMSSA-N 2 2 278.400 0.967 20 0 CCADLP COCC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2[nH+]ccn2C)C1 ZINC001443801670 929707427 /nfs/dbraw/zinc/70/74/27/929707427.db2.gz LNHYTJPLRVXJFS-CYBMUJFWSA-N 2 2 294.399 0.532 20 0 CCADLP COCC[N@H+]1CC[C@@H](N(C)C(=O)CCc2[nH+]ccn2C)C1 ZINC001443801670 929707431 /nfs/dbraw/zinc/70/74/31/929707431.db2.gz LNHYTJPLRVXJFS-CYBMUJFWSA-N 2 2 294.399 0.532 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[N@H+](C)C[C@H]1CCOC1 ZINC001372183194 929757928 /nfs/dbraw/zinc/75/79/28/929757928.db2.gz NAUMIUVLFBMXMY-GFCCVEGCSA-N 2 2 280.372 0.047 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[N@@H+](C)C[C@H]1CCOC1 ZINC001372183194 929757933 /nfs/dbraw/zinc/75/79/33/929757933.db2.gz NAUMIUVLFBMXMY-GFCCVEGCSA-N 2 2 280.372 0.047 20 0 CCADLP C[C@@H](O)C[NH2+]CC1(NC(=O)Cn2cc[nH+]c2)CCCC1 ZINC001444087467 929788679 /nfs/dbraw/zinc/78/86/79/929788679.db2.gz HYPSHTNTAVTXGB-GFCCVEGCSA-N 2 2 280.372 0.283 20 0 CCADLP CC[N@H+](CCF)CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001372475242 929841722 /nfs/dbraw/zinc/84/17/22/929841722.db2.gz GTLNMIXPIGGPAE-GFCCVEGCSA-N 2 2 275.368 0.115 20 0 CCADLP CC[N@@H+](CCF)CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001372475242 929841725 /nfs/dbraw/zinc/84/17/25/929841725.db2.gz GTLNMIXPIGGPAE-GFCCVEGCSA-N 2 2 275.368 0.115 20 0 CCADLP CC[NH+](CCF)CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001372475242 929841732 /nfs/dbraw/zinc/84/17/32/929841732.db2.gz GTLNMIXPIGGPAE-GFCCVEGCSA-N 2 2 275.368 0.115 20 0 CCADLP CC[NH+](CCF)CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001372475242 929841739 /nfs/dbraw/zinc/84/17/39/929841739.db2.gz GTLNMIXPIGGPAE-GFCCVEGCSA-N 2 2 275.368 0.115 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001372520800 929868465 /nfs/dbraw/zinc/86/84/65/929868465.db2.gz HDYKIEDBVZVKMW-JSGCOSHPSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@@H](C)C[N@H+]1CCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001372520800 929868473 /nfs/dbraw/zinc/86/84/73/929868473.db2.gz HDYKIEDBVZVKMW-JSGCOSHPSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001372520800 929868483 /nfs/dbraw/zinc/86/84/83/929868483.db2.gz HDYKIEDBVZVKMW-JSGCOSHPSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@@H](C)C[N@H+]1CCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001372520800 929868493 /nfs/dbraw/zinc/86/84/93/929868493.db2.gz HDYKIEDBVZVKMW-JSGCOSHPSA-N 2 2 294.399 0.958 20 0 CCADLP CCC[N@@H+]1CCO[C@@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001444493612 929885125 /nfs/dbraw/zinc/88/51/25/929885125.db2.gz ZIDZENBFVVRHEM-AWEZNQCLSA-N 2 2 294.399 0.580 20 0 CCADLP CCC[N@H+]1CCO[C@@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001444493612 929885142 /nfs/dbraw/zinc/88/51/42/929885142.db2.gz ZIDZENBFVVRHEM-AWEZNQCLSA-N 2 2 294.399 0.580 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@H](O)C[NH2+]CC1CCCC1 ZINC001445282117 930087333 /nfs/dbraw/zinc/08/73/33/930087333.db2.gz XGAGLTYZVXVOAT-CQSZACIVSA-N 2 2 294.399 0.220 20 0 CCADLP CCc1nocc1C[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001445663951 930200739 /nfs/dbraw/zinc/20/07/39/930200739.db2.gz DUUOSVCTJSBBDI-NSHDSACASA-N 2 2 291.355 0.728 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@H](NC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001445997656 930302207 /nfs/dbraw/zinc/30/22/07/930302207.db2.gz ZAEQGGGOZOPOEZ-FZMZJTMJSA-N 2 2 294.399 0.482 20 0 CCADLP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](C[C@H](C)OC)C1 ZINC001373709618 930307207 /nfs/dbraw/zinc/30/72/07/930307207.db2.gz UJDUVQLIDUQGGF-JSGCOSHPSA-N 2 2 294.399 0.910 20 0 CCADLP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](C[C@H](C)OC)C1 ZINC001373709618 930307218 /nfs/dbraw/zinc/30/72/18/930307218.db2.gz UJDUVQLIDUQGGF-JSGCOSHPSA-N 2 2 294.399 0.910 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@@H+]1CC[C@H]1CCCO1 ZINC001446113975 930334422 /nfs/dbraw/zinc/33/44/22/930334422.db2.gz BIZSDIQEPUGMLN-UONOGXRCSA-N 2 2 292.383 0.643 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@H+]1CC[C@H]1CCCO1 ZINC001446113975 930334430 /nfs/dbraw/zinc/33/44/30/930334430.db2.gz BIZSDIQEPUGMLN-UONOGXRCSA-N 2 2 292.383 0.643 20 0 CCADLP C[C@H](O)C[NH2+]C[C@](C)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001373894884 930367183 /nfs/dbraw/zinc/36/71/83/930367183.db2.gz MHLRBYWZVWSCEE-HZMBPMFUSA-N 2 2 280.372 0.208 20 0 CCADLP Cc1noc([C@H](C)[NH2+]C2(CNC(=O)CC[NH+](C)C)CC2)n1 ZINC001446226814 930370396 /nfs/dbraw/zinc/37/03/96/930370396.db2.gz HUSPNMNLGXPOEW-JTQLQIEISA-N 2 2 295.387 0.629 20 0 CCADLP CO[C@H](C)C[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001446265432 930381192 /nfs/dbraw/zinc/38/11/92/930381192.db2.gz IDWVXYJPPZWQJI-LLVKDONJSA-N 2 2 280.372 0.236 20 0 CCADLP Cc1nc(C[NH2+]C[C@@H](C)CNC(=O)Cn2cc[nH+]c2)co1 ZINC001374112370 930425587 /nfs/dbraw/zinc/42/55/87/930425587.db2.gz BMVBDMGNORAKTA-LLVKDONJSA-N 2 2 291.355 0.722 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001446548492 930436126 /nfs/dbraw/zinc/43/61/26/930436126.db2.gz YOTJMJWOVDZCGR-UKRRQHHQSA-N 2 2 294.399 0.889 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001446548492 930436138 /nfs/dbraw/zinc/43/61/38/930436138.db2.gz YOTJMJWOVDZCGR-UKRRQHHQSA-N 2 2 294.399 0.889 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001374231266 930461001 /nfs/dbraw/zinc/46/10/01/930461001.db2.gz DIOPEZMHJLPPAM-VXGBXAGGSA-N 2 2 282.388 0.814 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001374231266 930461009 /nfs/dbraw/zinc/46/10/09/930461009.db2.gz DIOPEZMHJLPPAM-VXGBXAGGSA-N 2 2 282.388 0.814 20 0 CCADLP COC[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001374237662 930462449 /nfs/dbraw/zinc/46/24/49/930462449.db2.gz ZRBXGUGORBYOIM-RYUDHWBXSA-N 2 2 282.388 0.814 20 0 CCADLP COC[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001374237662 930462457 /nfs/dbraw/zinc/46/24/57/930462457.db2.gz ZRBXGUGORBYOIM-RYUDHWBXSA-N 2 2 282.388 0.814 20 0 CCADLP C[C@@H](C[NH2+]Cc1cccnc1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001374330357 930486366 /nfs/dbraw/zinc/48/63/66/930486366.db2.gz MKCMGUAYDSALPX-ZDUSSCGKSA-N 2 2 287.367 0.915 20 0 CCADLP CC(C)[C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]CC(N)=O ZINC001374440676 930508353 /nfs/dbraw/zinc/50/83/53/930508353.db2.gz PTYJUUCOQLNKSN-VXGBXAGGSA-N 2 2 295.387 0.050 20 0 CCADLP CC(C)[C@@H](C(=O)NC[C@@H]1COCC[N@@H+]1CC1CC1)[NH+](C)C ZINC001447143857 930575181 /nfs/dbraw/zinc/57/51/81/930575181.db2.gz RQWAYIQVLKXOPP-CABCVRRESA-N 2 2 297.443 0.800 20 0 CCADLP CC(C)[C@@H](C(=O)NC[C@@H]1COCC[N@H+]1CC1CC1)[NH+](C)C ZINC001447143857 930575187 /nfs/dbraw/zinc/57/51/87/930575187.db2.gz RQWAYIQVLKXOPP-CABCVRRESA-N 2 2 297.443 0.800 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H](O)C[NH2+]Cc1ccccc1 ZINC001374675339 930615960 /nfs/dbraw/zinc/61/59/60/930615960.db2.gz IAGDGRWHIBXHAB-CQSZACIVSA-N 2 2 288.351 0.150 20 0 CCADLP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1nc(C)no1 ZINC001374827152 930683737 /nfs/dbraw/zinc/68/37/37/930683737.db2.gz HKHWTQINOIASIC-SNVBAGLBSA-N 2 2 283.376 0.314 20 0 CCADLP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1nc(C)no1 ZINC001374827152 930683752 /nfs/dbraw/zinc/68/37/52/930683752.db2.gz HKHWTQINOIASIC-SNVBAGLBSA-N 2 2 283.376 0.314 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001374839865 930684828 /nfs/dbraw/zinc/68/48/28/930684828.db2.gz ATKIAQMNJHWPRH-VXGBXAGGSA-N 2 2 282.388 0.482 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[NH2+]Cc1cnoc1C ZINC001374839198 930685968 /nfs/dbraw/zinc/68/59/68/930685968.db2.gz CODGNEDDCLKPKT-SECBINFHSA-N 2 2 291.355 0.852 20 0 CCADLP CCC[NH+]1CCC(CO)(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001447726116 930689844 /nfs/dbraw/zinc/68/98/44/930689844.db2.gz SJJQWGHTMDLANF-UHFFFAOYSA-N 2 2 294.399 0.695 20 0 CCADLP CCC[NH+]1CCC(CO)(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001447726116 930689849 /nfs/dbraw/zinc/68/98/49/930689849.db2.gz SJJQWGHTMDLANF-UHFFFAOYSA-N 2 2 294.399 0.695 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnon1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001374906201 930720292 /nfs/dbraw/zinc/72/02/92/930720292.db2.gz WDAKTQCODDRARC-CMPLNLGQSA-N 2 2 281.360 0.148 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnon1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001374906201 930720297 /nfs/dbraw/zinc/72/02/97/930720297.db2.gz WDAKTQCODDRARC-CMPLNLGQSA-N 2 2 281.360 0.148 20 0 CCADLP Cc1noc(C[NH2+]C[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)n1 ZINC001374928568 930726621 /nfs/dbraw/zinc/72/66/21/930726621.db2.gz XDOFHRSVAUJDIK-JTQLQIEISA-N 2 2 295.387 0.314 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnsn1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001374977337 930742812 /nfs/dbraw/zinc/74/28/12/930742812.db2.gz PWWGCVMAKLNSEY-UWVGGRQHSA-N 2 2 283.401 0.084 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnsn1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001374977337 930742818 /nfs/dbraw/zinc/74/28/18/930742818.db2.gz PWWGCVMAKLNSEY-UWVGGRQHSA-N 2 2 283.401 0.084 20 0 CCADLP CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccn(C)n1)[NH+](C)C ZINC001448074213 930807110 /nfs/dbraw/zinc/80/71/10/930807110.db2.gz ZTUNSSVSEKWZPN-TZMCWYRMSA-N 2 2 295.431 0.697 20 0 CCADLP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccn(C)n1)[NH+](C)C ZINC001448074213 930807115 /nfs/dbraw/zinc/80/71/15/930807115.db2.gz ZTUNSSVSEKWZPN-TZMCWYRMSA-N 2 2 295.431 0.697 20 0 CCADLP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CC(N)=O)[NH+]1CCCC1 ZINC001448147173 930834155 /nfs/dbraw/zinc/83/41/55/930834155.db2.gz VZQGRZSVTJPJMT-OCCSQVGLSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CC(N)=O)[NH+]1CCCC1 ZINC001448147173 930834166 /nfs/dbraw/zinc/83/41/66/930834166.db2.gz VZQGRZSVTJPJMT-OCCSQVGLSA-N 2 2 298.431 0.029 20 0 CCADLP CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001448461955 930894352 /nfs/dbraw/zinc/89/43/52/930894352.db2.gz HVIGGAWWANOMFS-YPMHNXCESA-N 2 2 280.372 0.568 20 0 CCADLP Cn1cc(C[NH2+]C2(CNC(=O)Cc3[nH]cc[nH+]3)CC2)cn1 ZINC001375509597 930901063 /nfs/dbraw/zinc/90/10/63/930901063.db2.gz KYGZLJSIAKIBBB-UHFFFAOYSA-N 2 2 288.355 0.124 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001448510918 930905691 /nfs/dbraw/zinc/90/56/91/930905691.db2.gz LRFYVSUWAKCEEU-IHRRRGAJSA-N 2 2 294.399 0.529 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC1(C)CC[NH+](CCO)CC1 ZINC001375780140 930975403 /nfs/dbraw/zinc/97/54/03/930975403.db2.gz FXVHJGVBPBXSHD-UHFFFAOYSA-N 2 2 280.372 0.224 20 0 CCADLP COCC[N@H+](C)C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001376294422 931116486 /nfs/dbraw/zinc/11/64/86/931116486.db2.gz YWOLRLNQKMUPJC-AWEZNQCLSA-N 2 2 294.399 0.700 20 0 CCADLP COCC[N@@H+](C)C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001376294422 931116488 /nfs/dbraw/zinc/11/64/88/931116488.db2.gz YWOLRLNQKMUPJC-AWEZNQCLSA-N 2 2 294.399 0.700 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001376366397 931133486 /nfs/dbraw/zinc/13/34/86/931133486.db2.gz MTNYDFOHCJHSTA-RAIGVLPGSA-N 2 2 280.372 0.614 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001376366397 931133492 /nfs/dbraw/zinc/13/34/92/931133492.db2.gz MTNYDFOHCJHSTA-RAIGVLPGSA-N 2 2 280.372 0.614 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC1(C2CC[NH+](CCO)CC2)CC1 ZINC001449405604 931139823 /nfs/dbraw/zinc/13/98/23/931139823.db2.gz XSZYJMDNEOSBFE-UHFFFAOYSA-N 2 2 292.383 0.305 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1nncs1 ZINC001376732333 931250487 /nfs/dbraw/zinc/25/04/87/931250487.db2.gz OVAJJWMSFJZQRI-GMTAPVOTSA-N 2 2 297.428 0.473 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1nncs1 ZINC001376732333 931250495 /nfs/dbraw/zinc/25/04/95/931250495.db2.gz OVAJJWMSFJZQRI-GMTAPVOTSA-N 2 2 297.428 0.473 20 0 CCADLP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ncccn1)[NH+](C)C ZINC001376752457 931258251 /nfs/dbraw/zinc/25/82/51/931258251.db2.gz YMTVAHXTWMUKOD-OCCSQVGLSA-N 2 2 293.415 0.657 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C)[nH]1 ZINC001376763915 931262338 /nfs/dbraw/zinc/26/23/38/931262338.db2.gz NUCSEKOMRDZFLN-PWSUYJOCSA-N 2 2 294.403 0.192 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCCC[N@H+]2C)[nH]1 ZINC001376763915 931262347 /nfs/dbraw/zinc/26/23/47/931262347.db2.gz NUCSEKOMRDZFLN-PWSUYJOCSA-N 2 2 294.403 0.192 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+]C[C@@H]2CCOC2)CCC1 ZINC001376799515 931279253 /nfs/dbraw/zinc/27/92/53/931279253.db2.gz GKHLEMFCTHNDQZ-LBPRGKRZSA-N 2 2 292.383 0.617 20 0 CCADLP CS(=O)(=O)[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000337447528 214087042 /nfs/dbraw/zinc/08/70/42/214087042.db2.gz JENCYNYXJDQAHC-LLVKDONJSA-N 2 2 257.359 0.392 20 0 CCADLP CS(=O)(=O)[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000337447528 214087045 /nfs/dbraw/zinc/08/70/45/214087045.db2.gz JENCYNYXJDQAHC-LLVKDONJSA-N 2 2 257.359 0.392 20 0 CCADLP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000092953755 349513810 /nfs/dbraw/zinc/51/38/10/349513810.db2.gz OXVBXFAWFDKCKO-UKRRQHHQSA-N 2 2 288.395 0.724 20 0 CCADLP C[N@H+](CCc1cccs1)CC(=O)N1CC[NH+](C)CC1 ZINC000093177103 349530120 /nfs/dbraw/zinc/53/01/20/349530120.db2.gz IDHTTXUTSROUCE-UHFFFAOYSA-N 2 2 281.425 0.996 20 0 CCADLP C[N@@H+](CCc1cccs1)CC(=O)N1CC[NH+](C)CC1 ZINC000093177103 349530124 /nfs/dbraw/zinc/53/01/24/349530124.db2.gz IDHTTXUTSROUCE-UHFFFAOYSA-N 2 2 281.425 0.996 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)CCO1 ZINC000427718265 529392818 /nfs/dbraw/zinc/39/28/18/529392818.db2.gz LNSFSKJVCQVTIV-KGLIPLIRSA-N 2 2 285.432 0.800 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)CCO1 ZINC000427718265 529392819 /nfs/dbraw/zinc/39/28/19/529392819.db2.gz LNSFSKJVCQVTIV-KGLIPLIRSA-N 2 2 285.432 0.800 20 0 CCADLP CN(Cc1ccccc1F)C(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107574876 349739002 /nfs/dbraw/zinc/73/90/02/349739002.db2.gz USNKJBVMCWOAPF-KBPBESRZSA-N 2 2 291.370 0.935 20 0 CCADLP Cc1ccc2nc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)cc(=O)n2c1 ZINC000107855240 349741550 /nfs/dbraw/zinc/74/15/50/349741550.db2.gz LNDGNEJLERCLSU-CHWSQXEVSA-N 2 2 284.363 0.654 20 0 CCADLP C[NH+](C)CC(=O)N1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000110128112 349757093 /nfs/dbraw/zinc/75/70/93/349757093.db2.gz ZRRAQYHYPOTMBI-UHFFFAOYSA-N 2 2 289.383 0.564 20 0 CCADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577238 282210910 /nfs/dbraw/zinc/21/09/10/282210910.db2.gz VDCGSPDKBKNRCI-SDDRHHMPSA-N 2 2 253.390 0.831 20 0 CCADLP CCC(CC)NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577238 282210915 /nfs/dbraw/zinc/21/09/15/282210915.db2.gz VDCGSPDKBKNRCI-SDDRHHMPSA-N 2 2 253.390 0.831 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000126193965 187223175 /nfs/dbraw/zinc/22/31/75/187223175.db2.gz YEDJMFKYNDMTPO-GRYCIOLGSA-N 2 2 250.346 0.776 20 0 CCADLP CC[C@@H]1C[N@H+](Cc2cnc(C(=O)OC)cn2)CC[C@H]1[NH3+] ZINC000600711884 362041818 /nfs/dbraw/zinc/04/18/18/362041818.db2.gz TWPMYAGJJVIIGQ-ZYHUDNBSSA-N 2 2 278.356 0.822 20 0 CCADLP CC[C@@H]1C[N@@H+](Cc2cnc(C(=O)OC)cn2)CC[C@H]1[NH3+] ZINC000600711884 362041822 /nfs/dbraw/zinc/04/18/22/362041822.db2.gz TWPMYAGJJVIIGQ-ZYHUDNBSSA-N 2 2 278.356 0.822 20 0 CCADLP COCCn1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000427112980 536843239 /nfs/dbraw/zinc/84/32/39/536843239.db2.gz GNOOIPAUZWKOEF-KGLIPLIRSA-N 2 2 264.373 0.713 20 0 CCADLP COCCn1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000427112980 536843247 /nfs/dbraw/zinc/84/32/47/536843247.db2.gz GNOOIPAUZWKOEF-KGLIPLIRSA-N 2 2 264.373 0.713 20 0 CCADLP CCC(CC)[C@@H](C(=O)NC[C@H]([NH3+])CC)[NH+]1CCOCC1 ZINC000449610687 282223614 /nfs/dbraw/zinc/22/36/14/282223614.db2.gz RPMCDKPADNOREE-KGLIPLIRSA-N 2 2 285.432 0.977 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000617725511 365733841 /nfs/dbraw/zinc/73/38/41/365733841.db2.gz LGBIJECLZYHGOQ-NEPJUHHUSA-N 2 2 280.372 0.568 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000617725511 365733844 /nfs/dbraw/zinc/73/38/44/365733844.db2.gz LGBIJECLZYHGOQ-NEPJUHHUSA-N 2 2 280.372 0.568 20 0 CCADLP CCOC(=O)C1(C)CC([NH2+]CC[N@H+](CC)CCO)C1 ZINC000601277541 362200686 /nfs/dbraw/zinc/20/06/86/362200686.db2.gz XHNFUJUWENNJCJ-UHFFFAOYSA-N 2 2 272.389 0.622 20 0 CCADLP CCOC(=O)C1(C)CC([NH2+]CC[N@@H+](CC)CCO)C1 ZINC000601277541 362200690 /nfs/dbraw/zinc/20/06/90/362200690.db2.gz XHNFUJUWENNJCJ-UHFFFAOYSA-N 2 2 272.389 0.622 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000617732402 365743393 /nfs/dbraw/zinc/74/33/93/365743393.db2.gz FDCGOXVAUJKSJO-STQMWFEESA-N 2 2 271.405 0.554 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000617732402 365743400 /nfs/dbraw/zinc/74/34/00/365743400.db2.gz FDCGOXVAUJKSJO-STQMWFEESA-N 2 2 271.405 0.554 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601335003 362231848 /nfs/dbraw/zinc/23/18/48/362231848.db2.gz QCWQOLMGLDVWDU-OLZOCXBDSA-N 2 2 296.415 0.686 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601335003 362231853 /nfs/dbraw/zinc/23/18/53/362231853.db2.gz QCWQOLMGLDVWDU-OLZOCXBDSA-N 2 2 296.415 0.686 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000113512488 349814781 /nfs/dbraw/zinc/81/47/81/349814781.db2.gz SPAYWLDJICYILP-NSHDSACASA-N 2 2 284.404 0.494 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000113512488 349814784 /nfs/dbraw/zinc/81/47/84/349814784.db2.gz SPAYWLDJICYILP-NSHDSACASA-N 2 2 284.404 0.494 20 0 CCADLP CCOC[C@H](O)C[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000113503830 349812910 /nfs/dbraw/zinc/81/29/10/349812910.db2.gz KFOIWRLIUBZBDJ-CYBMUJFWSA-N 2 2 295.383 0.610 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+](C)CCC[NH+](C)C)C1 ZINC000617763918 365767127 /nfs/dbraw/zinc/76/71/27/365767127.db2.gz BFITWJIHDODHKO-CQSZACIVSA-N 3 2 284.448 0.328 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+](C)CCC[NH+](C)C)C1 ZINC000617763918 365767131 /nfs/dbraw/zinc/76/71/31/365767131.db2.gz BFITWJIHDODHKO-CQSZACIVSA-N 3 2 284.448 0.328 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000617763918 365767135 /nfs/dbraw/zinc/76/71/35/365767135.db2.gz BFITWJIHDODHKO-CQSZACIVSA-N 3 2 284.448 0.328 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000617763918 365767139 /nfs/dbraw/zinc/76/71/39/365767139.db2.gz BFITWJIHDODHKO-CQSZACIVSA-N 3 2 284.448 0.328 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000617764870 365768766 /nfs/dbraw/zinc/76/87/66/365768766.db2.gz JWKRCSUKLBSWSJ-MGPQQGTHSA-N 2 2 283.416 0.411 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000617764870 365768770 /nfs/dbraw/zinc/76/87/70/365768770.db2.gz JWKRCSUKLBSWSJ-MGPQQGTHSA-N 2 2 283.416 0.411 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617766485 365772651 /nfs/dbraw/zinc/77/26/51/365772651.db2.gz MDRWHGFGCVEORW-HUUCEWRRSA-N 3 2 298.475 0.859 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617766485 365772652 /nfs/dbraw/zinc/77/26/52/365772652.db2.gz MDRWHGFGCVEORW-HUUCEWRRSA-N 3 2 298.475 0.859 20 0 CCADLP CCc1n[nH]cc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617768323 365773213 /nfs/dbraw/zinc/77/32/13/365773213.db2.gz YXTPXGPCMKHVMP-UHFFFAOYSA-N 2 2 281.404 0.585 20 0 CCADLP CCc1n[nH]cc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617768323 365773218 /nfs/dbraw/zinc/77/32/18/365773218.db2.gz YXTPXGPCMKHVMP-UHFFFAOYSA-N 2 2 281.404 0.585 20 0 CCADLP CC(C)OCC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767458 365774089 /nfs/dbraw/zinc/77/40/89/365774089.db2.gz WNOJYSSWPHYGFR-UHFFFAOYSA-N 2 2 259.394 0.411 20 0 CCADLP CC(C)OCC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767458 365774092 /nfs/dbraw/zinc/77/40/92/365774092.db2.gz WNOJYSSWPHYGFR-UHFFFAOYSA-N 2 2 259.394 0.411 20 0 CCADLP COc1ncccc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617768146 365774166 /nfs/dbraw/zinc/77/41/66/365774166.db2.gz QSGOFJIPBWSCHX-UHFFFAOYSA-N 2 2 294.399 0.704 20 0 CCADLP COc1ncccc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617768146 365774168 /nfs/dbraw/zinc/77/41/68/365774168.db2.gz QSGOFJIPBWSCHX-UHFFFAOYSA-N 2 2 294.399 0.704 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1ccc(O)cc1 ZINC000617765722 365771433 /nfs/dbraw/zinc/77/14/33/365771433.db2.gz NOJOQMHQBMKFAG-UHFFFAOYSA-N 2 2 293.411 0.934 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1ccc(O)cc1 ZINC000617765722 365771435 /nfs/dbraw/zinc/77/14/35/365771435.db2.gz NOJOQMHQBMKFAG-UHFFFAOYSA-N 2 2 293.411 0.934 20 0 CCADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@]3(C)CCCC[NH2+]3)C[C@@H]21 ZINC000423933768 529784936 /nfs/dbraw/zinc/78/49/36/529784936.db2.gz SPTXSLKLTUBLMT-GUTXKFCHSA-N 2 2 281.400 0.450 20 0 CCADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@]3(C)CCCC[NH2+]3)C[C@@H]21 ZINC000423933768 529784937 /nfs/dbraw/zinc/78/49/37/529784937.db2.gz SPTXSLKLTUBLMT-GUTXKFCHSA-N 2 2 281.400 0.450 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@]2(C)CCC(=O)N2)n1C ZINC000425340564 529810079 /nfs/dbraw/zinc/81/00/79/529810079.db2.gz AYXKYXXKZHUDKW-ZDUSSCGKSA-N 2 2 265.361 0.244 20 0 CCADLP CN1C[C@H](C[NH+]2CCC(n3cc[nH+]c3)CC2)OC1=O ZINC000495648992 529825203 /nfs/dbraw/zinc/82/52/03/529825203.db2.gz APRJNCBJPFWAAB-GFCCVEGCSA-N 2 2 264.329 0.971 20 0 CCADLP CN1C[C@@H](C[NH+]2CCC3(CCC[N@@H+]3C)CC2)OC1=O ZINC000495593569 529817112 /nfs/dbraw/zinc/81/71/12/529817112.db2.gz KVKIHDRZEDMEDP-LBPRGKRZSA-N 2 2 267.373 0.997 20 0 CCADLP CN1C[C@@H](C[NH+]2CCC3(CCC[N@H+]3C)CC2)OC1=O ZINC000495593569 529817113 /nfs/dbraw/zinc/81/71/13/529817113.db2.gz KVKIHDRZEDMEDP-LBPRGKRZSA-N 2 2 267.373 0.997 20 0 CCADLP CN1C[C@@H](C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)OC1=O ZINC000495654875 529817776 /nfs/dbraw/zinc/81/77/76/529817776.db2.gz VHJOZJBEHUJGJX-OLZOCXBDSA-N 2 2 283.372 0.091 20 0 CCADLP CN1C[C@@H](C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)OC1=O ZINC000495654875 529817777 /nfs/dbraw/zinc/81/77/77/529817777.db2.gz VHJOZJBEHUJGJX-OLZOCXBDSA-N 2 2 283.372 0.091 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000423822661 529898722 /nfs/dbraw/zinc/89/87/22/529898722.db2.gz GJLKQNOWTZGRJO-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000423749451 529910538 /nfs/dbraw/zinc/91/05/38/529910538.db2.gz RRPBRQOLPSYHTK-CYBMUJFWSA-N 2 2 269.389 0.309 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000423746293 529911362 /nfs/dbraw/zinc/91/13/62/529911362.db2.gz NQQOMIPQELCELS-CHWSQXEVSA-N 2 2 269.389 0.152 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000573560266 334947112 /nfs/dbraw/zinc/94/71/12/334947112.db2.gz FTLVNJMJZPTIAO-WCQYABFASA-N 2 2 276.384 0.876 20 0 CCADLP CC[C@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)OC)[C@@H]1CCC[NH2+]1 ZINC000602021572 362461177 /nfs/dbraw/zinc/46/11/77/362461177.db2.gz PTPWGMYOCWWMTO-BJDJZHNGSA-N 2 2 285.388 0.173 20 0 CCADLP COCCOc1ccccc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358169588 232057626 /nfs/dbraw/zinc/05/76/26/232057626.db2.gz QFTVRVLRUVEWDU-INIZCTEOSA-N 2 2 294.395 0.868 20 0 CCADLP COCCOc1ccccc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358169588 232057629 /nfs/dbraw/zinc/05/76/29/232057629.db2.gz QFTVRVLRUVEWDU-INIZCTEOSA-N 2 2 294.395 0.868 20 0 CCADLP C[C@H](CNC(=O)[C@H](C)[NH+](C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244044 412518610 /nfs/dbraw/zinc/51/86/10/412518610.db2.gz LXBVNHZQSKXCLG-NDBYEHHHSA-N 2 2 271.405 0.550 20 0 CCADLP Cc1noc(C)c1C(C)(C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000353551968 282379674 /nfs/dbraw/zinc/37/96/74/282379674.db2.gz VEVJAIQEEDQZKH-UHFFFAOYSA-N 2 2 294.399 0.890 20 0 CCADLP C[C@H](CNC(=O)[C@H](C)[NH+](C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244044 412518612 /nfs/dbraw/zinc/51/86/12/412518612.db2.gz LXBVNHZQSKXCLG-NDBYEHHHSA-N 2 2 271.405 0.550 20 0 CCADLP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655241844 412519121 /nfs/dbraw/zinc/51/91/21/412519121.db2.gz SKTIXSXALDGZTO-TUVASFSCSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655241844 412519125 /nfs/dbraw/zinc/51/91/25/412519125.db2.gz SKTIXSXALDGZTO-TUVASFSCSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655241844 412519130 /nfs/dbraw/zinc/51/91/30/412519130.db2.gz SKTIXSXALDGZTO-TUVASFSCSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655241844 412519133 /nfs/dbraw/zinc/51/91/33/412519133.db2.gz SKTIXSXALDGZTO-TUVASFSCSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@H](CNC(=O)C[NH+](C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244982 412521394 /nfs/dbraw/zinc/52/13/94/412521394.db2.gz ZODQLECETIPKIB-UTUOFQBUSA-N 2 2 257.378 0.162 20 0 CCADLP C[C@H](CNC(=O)C[NH+](C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244982 412521399 /nfs/dbraw/zinc/52/13/99/412521399.db2.gz ZODQLECETIPKIB-UTUOFQBUSA-N 2 2 257.378 0.162 20 0 CCADLP COC(=O)c1cc(C[NH2+][C@@H](C)CC[NH+](C)C)on1 ZINC000602534209 362663035 /nfs/dbraw/zinc/66/30/35/362663035.db2.gz PEHABXGRIZSDEJ-VIFPVBQESA-N 2 2 255.318 0.891 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)on1 ZINC000602546033 362670154 /nfs/dbraw/zinc/67/01/54/362670154.db2.gz BENAAJCZDRKOCT-SNVBAGLBSA-N 2 2 267.329 0.893 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)on1 ZINC000602546033 362670159 /nfs/dbraw/zinc/67/01/59/362670159.db2.gz BENAAJCZDRKOCT-SNVBAGLBSA-N 2 2 267.329 0.893 20 0 CCADLP CN(CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)CC(F)(F)F ZINC000422703834 282476441 /nfs/dbraw/zinc/47/64/41/282476441.db2.gz IZACNZRULXMUAM-RYUDHWBXSA-N 2 2 295.349 0.837 20 0 CCADLP COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000602707494 362762022 /nfs/dbraw/zinc/76/20/22/362762022.db2.gz BGHCNKRMWIJBSD-NOOOWODRSA-N 2 2 256.346 0.389 20 0 CCADLP COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000602707494 362762023 /nfs/dbraw/zinc/76/20/23/362762023.db2.gz BGHCNKRMWIJBSD-NOOOWODRSA-N 2 2 256.346 0.389 20 0 CCADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](CC)C1 ZINC000617927870 365840157 /nfs/dbraw/zinc/84/01/57/365840157.db2.gz DZYYWQSNSNPSLA-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](CC)C1 ZINC000617927870 365840160 /nfs/dbraw/zinc/84/01/60/365840160.db2.gz DZYYWQSNSNPSLA-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](CC)C1 ZINC000617927870 365840165 /nfs/dbraw/zinc/84/01/65/365840165.db2.gz DZYYWQSNSNPSLA-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](CC)C1 ZINC000617927870 365840169 /nfs/dbraw/zinc/84/01/69/365840169.db2.gz DZYYWQSNSNPSLA-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@@H]([NH3+])CCNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000178679977 136569866 /nfs/dbraw/zinc/56/98/66/136569866.db2.gz MRTXBGDFKSTDRQ-CYBMUJFWSA-N 2 2 291.399 0.057 20 0 CCADLP C[C@H](O)[C@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC000412068316 290168383 /nfs/dbraw/zinc/16/83/83/290168383.db2.gz IHDZXWCWMQKKFA-MELADBBJSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@H](O)[C@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)CCO1 ZINC000412068316 290168385 /nfs/dbraw/zinc/16/83/85/290168385.db2.gz IHDZXWCWMQKKFA-MELADBBJSA-N 2 2 256.390 0.942 20 0 CCADLP Cc1cnn(C)c1C[NH2+][C@H](C)CC[NH+]1CCOCC1 ZINC000352748752 302393542 /nfs/dbraw/zinc/39/35/42/302393542.db2.gz JRCOJZLKIGIQBQ-CYBMUJFWSA-N 2 2 266.389 0.929 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000261579145 137010238 /nfs/dbraw/zinc/01/02/38/137010238.db2.gz DPWVBGBMXSPORG-HIFRSBDPSA-N 2 2 265.401 0.930 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000261579145 137010239 /nfs/dbraw/zinc/01/02/39/137010239.db2.gz DPWVBGBMXSPORG-HIFRSBDPSA-N 2 2 265.401 0.930 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261635274 137013171 /nfs/dbraw/zinc/01/31/71/137013171.db2.gz BSKBZIWXKBWODG-RYUDHWBXSA-N 2 2 282.388 0.010 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261635274 137013172 /nfs/dbraw/zinc/01/31/72/137013172.db2.gz BSKBZIWXKBWODG-RYUDHWBXSA-N 2 2 282.388 0.010 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000262354990 137039844 /nfs/dbraw/zinc/03/98/44/137039844.db2.gz HUDMVAYLNDDKAE-QPSCCSFWSA-N 2 2 295.427 0.554 20 0 CCADLP COC[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000262387007 137041432 /nfs/dbraw/zinc/04/14/32/137041432.db2.gz YMHBUPKBFRCAPK-ZYHUDNBSSA-N 2 2 297.424 0.585 20 0 CCADLP COC[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000262387007 137041433 /nfs/dbraw/zinc/04/14/33/137041433.db2.gz YMHBUPKBFRCAPK-ZYHUDNBSSA-N 2 2 297.424 0.585 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000262466015 137044075 /nfs/dbraw/zinc/04/40/75/137044075.db2.gz NTHCNHAGSWCSTL-LLVKDONJSA-N 2 2 273.340 0.995 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000262673632 137050402 /nfs/dbraw/zinc/05/04/02/137050402.db2.gz QHEANJYHQZBGQH-JTQLQIEISA-N 2 2 250.346 0.619 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000262691681 137050771 /nfs/dbraw/zinc/05/07/71/137050771.db2.gz ANQCIQCTWTXYJT-NFAWXSAZSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@]1([NH3+])CCCC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000262691675 137050815 /nfs/dbraw/zinc/05/08/15/137050815.db2.gz ANQAABNZSXGYTR-AAEUAGOBSA-N 2 2 250.346 0.907 20 0 CCADLP C[NH+](C)[C@@]1(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CCSC1 ZINC000263050747 137057555 /nfs/dbraw/zinc/05/75/55/137057555.db2.gz ULLVVRPFJBBJPS-GXSJLCMTSA-N 2 2 293.383 0.537 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)NCc1ccc(F)cc1 ZINC000261733340 137017794 /nfs/dbraw/zinc/01/77/94/137017794.db2.gz RIFUZELTMBUECA-ZIAGYGMSSA-N 2 2 291.370 0.983 20 0 CCADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)NCc1ccc(F)cc1 ZINC000261733340 137017795 /nfs/dbraw/zinc/01/77/95/137017795.db2.gz RIFUZELTMBUECA-ZIAGYGMSSA-N 2 2 291.370 0.983 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000535557183 290833698 /nfs/dbraw/zinc/83/36/98/290833698.db2.gz ISIGHZMJWFCBJB-ZDUSSCGKSA-N 2 2 264.373 0.969 20 0 CCADLP Cc1[nH+]c2ccccc2n1CC(=O)NCC1C[NH2+]C1 ZINC000261928883 137026543 /nfs/dbraw/zinc/02/65/43/137026543.db2.gz BYSXSYQXLTWTIO-UHFFFAOYSA-N 2 2 258.325 0.680 20 0 CCADLP Cc1nc(C)n(C[C@@H]2C[N@H+](C[C@H]3CCC[NH2+]C3)CCO2)n1 ZINC000262003642 137028158 /nfs/dbraw/zinc/02/81/58/137028158.db2.gz UHRZHRIICMUWED-GJZGRUSLSA-N 2 2 293.415 0.595 20 0 CCADLP Cc1nc(C)n(C[C@@H]2C[N@@H+](C[C@H]3CCC[NH2+]C3)CCO2)n1 ZINC000262003642 137028159 /nfs/dbraw/zinc/02/81/59/137028159.db2.gz UHRZHRIICMUWED-GJZGRUSLSA-N 2 2 293.415 0.595 20 0 CCADLP COC[C@H]([NH3+])C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000262165159 137028913 /nfs/dbraw/zinc/02/89/13/137028913.db2.gz AGRHCDUTWABTEP-LBPRGKRZSA-N 2 2 274.324 0.462 20 0 CCADLP O=C(C1C[NH2+]C1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000262253456 137033137 /nfs/dbraw/zinc/03/31/37/137033137.db2.gz PYWBVUYMWHYPOT-UHFFFAOYSA-N 2 2 299.378 0.198 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)n1C ZINC000263294240 137063079 /nfs/dbraw/zinc/06/30/79/137063079.db2.gz WCZQKAGRWFHFQD-VIFPVBQESA-N 2 2 287.314 0.100 20 0 CCADLP COC(=O)[C@@H](C)C[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000310849152 137073249 /nfs/dbraw/zinc/07/32/49/137073249.db2.gz IUDUUOQUQRLRJB-CMPLNLGQSA-N 2 2 258.362 0.182 20 0 CCADLP COC(=O)[C@@H](C)C[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000310849152 137073250 /nfs/dbraw/zinc/07/32/50/137073250.db2.gz IUDUUOQUQRLRJB-CMPLNLGQSA-N 2 2 258.362 0.182 20 0 CCADLP COC(=O)[C@@H](C)C[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310849152 137073251 /nfs/dbraw/zinc/07/32/51/137073251.db2.gz IUDUUOQUQRLRJB-CMPLNLGQSA-N 2 2 258.362 0.182 20 0 CCADLP COC(=O)[C@@H](C)C[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310849152 137073252 /nfs/dbraw/zinc/07/32/52/137073252.db2.gz IUDUUOQUQRLRJB-CMPLNLGQSA-N 2 2 258.362 0.182 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1cnn(CC(F)F)c1 ZINC000312600074 137077181 /nfs/dbraw/zinc/07/71/81/137077181.db2.gz FQAPUMIGPQXNSX-GFCCVEGCSA-N 2 2 287.358 0.484 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1cnn(CC(F)F)c1 ZINC000312600074 137077182 /nfs/dbraw/zinc/07/71/82/137077182.db2.gz FQAPUMIGPQXNSX-GFCCVEGCSA-N 2 2 287.358 0.484 20 0 CCADLP C[C@H](CNC(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C)[NH+]1CCOCC1 ZINC000343611959 137145792 /nfs/dbraw/zinc/14/57/92/137145792.db2.gz DQLUACDZPNUQSB-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](CNC(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C)[NH+]1CCOCC1 ZINC000343611959 137145793 /nfs/dbraw/zinc/14/57/93/137145793.db2.gz DQLUACDZPNUQSB-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NCc2[nH+]ccn2C)CCC[N@@H+]1C ZINC000343763153 137155230 /nfs/dbraw/zinc/15/52/30/137155230.db2.gz TVRJHCLRNUCIET-MNOVXSKESA-N 2 2 265.361 0.702 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NCc2[nH+]ccn2C)CCC[N@H+]1C ZINC000343763153 137155231 /nfs/dbraw/zinc/15/52/31/137155231.db2.gz TVRJHCLRNUCIET-MNOVXSKESA-N 2 2 265.361 0.702 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000344005135 137172987 /nfs/dbraw/zinc/17/29/87/137172987.db2.gz DXKRQBYPBYADBL-YUELXQCFSA-N 2 2 295.427 0.554 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000344005133 137173327 /nfs/dbraw/zinc/17/33/27/137173327.db2.gz DXKRQBYPBYADBL-NWANDNLSSA-N 2 2 295.427 0.554 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1CC[NH+](CCO)CC1 ZINC000344223092 137184665 /nfs/dbraw/zinc/18/46/65/137184665.db2.gz ZBAUASTXOLMNLZ-TZMCWYRMSA-N 3 2 255.406 0.230 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1CC[NH+](CCO)CC1 ZINC000344223092 137184666 /nfs/dbraw/zinc/18/46/66/137184666.db2.gz ZBAUASTXOLMNLZ-TZMCWYRMSA-N 3 2 255.406 0.230 20 0 CCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@@H]1[NH2+]CCO[C@@H]1C ZINC000344488081 137197202 /nfs/dbraw/zinc/19/72/02/137197202.db2.gz HDSAXPIQFJWNBQ-NQBHXWOUSA-N 2 2 280.372 0.321 20 0 CCADLP CNC(=O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000020049010 348075610 /nfs/dbraw/zinc/07/56/10/348075610.db2.gz MWXJABGFUOZWIA-UHFFFAOYSA-N 2 2 261.369 0.987 20 0 CCADLP Cc1[nH]nc2ncc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc12 ZINC000344845414 137216781 /nfs/dbraw/zinc/21/67/81/137216781.db2.gz JNAGVTBAKGQMFG-AWEZNQCLSA-N 2 2 277.372 0.669 20 0 CCADLP C[N@H+](Cc1cc(=O)n2ccsc2n1)C1CC[NH2+]CC1 ZINC000036300433 348165730 /nfs/dbraw/zinc/16/57/30/348165730.db2.gz JWDFTEJEHZWXKY-UHFFFAOYSA-N 2 2 278.381 0.940 20 0 CCADLP C[N@@H+](Cc1cc(=O)n2ccsc2n1)C1CC[NH2+]CC1 ZINC000036300433 348165733 /nfs/dbraw/zinc/16/57/33/348165733.db2.gz JWDFTEJEHZWXKY-UHFFFAOYSA-N 2 2 278.381 0.940 20 0 CCADLP [NH3+]CCC[NH+]1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000037037762 348182730 /nfs/dbraw/zinc/18/27/30/348182730.db2.gz JIZUNMIBJOGZHJ-UHFFFAOYSA-N 2 2 279.359 0.861 20 0 CCADLP CC(C)(CNC(=O)C[C@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000042171234 348268696 /nfs/dbraw/zinc/26/86/96/348268696.db2.gz ZIIYLGIDWYXNEJ-GFCCVEGCSA-N 2 2 269.389 0.356 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@]2(C)CCCO)CC1 ZINC000345953076 137261583 /nfs/dbraw/zinc/26/15/83/137261583.db2.gz NYWRLZKMIFEFQT-HNNXBMFYSA-N 2 2 283.416 0.387 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@]2(C)CCCO)CC1 ZINC000345953076 137261584 /nfs/dbraw/zinc/26/15/84/137261584.db2.gz NYWRLZKMIFEFQT-HNNXBMFYSA-N 2 2 283.416 0.387 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@]2(C)CCCO)CC1 ZINC000345953077 137261724 /nfs/dbraw/zinc/26/17/24/137261724.db2.gz NYWRLZKMIFEFQT-OAHLLOKOSA-N 2 2 283.416 0.387 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@]2(C)CCCO)CC1 ZINC000345953077 137261725 /nfs/dbraw/zinc/26/17/25/137261725.db2.gz NYWRLZKMIFEFQT-OAHLLOKOSA-N 2 2 283.416 0.387 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N(C)CC[NH+]2CCOCC2)CCC[N@@H+]1C ZINC000345770377 137251841 /nfs/dbraw/zinc/25/18/41/137251841.db2.gz DXWNWJWBNRHAFN-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N(C)CC[NH+]2CCOCC2)CCC[N@H+]1C ZINC000345770377 137251842 /nfs/dbraw/zinc/25/18/42/137251842.db2.gz DXWNWJWBNRHAFN-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)COCC1CC1 ZINC000346104647 137267374 /nfs/dbraw/zinc/26/73/74/137267374.db2.gz FSGDRESSCQWCKP-UHFFFAOYSA-N 2 2 297.443 0.897 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)COCC1CC1 ZINC000346104647 137267375 /nfs/dbraw/zinc/26/73/75/137267375.db2.gz FSGDRESSCQWCKP-UHFFFAOYSA-N 2 2 297.443 0.897 20 0 CCADLP CC[C@H](C(=O)N[C@H](C)C[NH+](C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000346165053 137271076 /nfs/dbraw/zinc/27/10/76/137271076.db2.gz DMHAMCDRSUHJQJ-MGPQQGTHSA-N 2 2 285.432 0.942 20 0 CCADLP CC[C@H](C(=O)N[C@H](C)C[NH+](C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000346165053 137271077 /nfs/dbraw/zinc/27/10/77/137271077.db2.gz DMHAMCDRSUHJQJ-MGPQQGTHSA-N 2 2 285.432 0.942 20 0 CCADLP CC(C)NS(=O)(=O)[C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346984096 137314346 /nfs/dbraw/zinc/31/43/46/137314346.db2.gz OGQVMMWHHZGGDO-OLZOCXBDSA-N 2 2 289.445 0.388 20 0 CCADLP CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346984096 137314347 /nfs/dbraw/zinc/31/43/47/137314347.db2.gz OGQVMMWHHZGGDO-OLZOCXBDSA-N 2 2 289.445 0.388 20 0 CCADLP NC(=O)C[N@@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000346837203 137307064 /nfs/dbraw/zinc/30/70/64/137307064.db2.gz POHLNISQRAVHHG-CQSZACIVSA-N 2 2 261.369 0.974 20 0 CCADLP NC(=O)C[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000346837203 137307065 /nfs/dbraw/zinc/30/70/65/137307065.db2.gz POHLNISQRAVHHG-CQSZACIVSA-N 2 2 261.369 0.974 20 0 CCADLP COC1CC([NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000347358756 137332819 /nfs/dbraw/zinc/33/28/19/137332819.db2.gz MMNLIKQZZRADQJ-HTAVTVPLSA-N 2 2 255.362 0.093 20 0 CCADLP COC1CC([NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000347358756 137332820 /nfs/dbraw/zinc/33/28/20/137332820.db2.gz MMNLIKQZZRADQJ-HTAVTVPLSA-N 2 2 255.362 0.093 20 0 CCADLP CC(C)([NH3+])C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000347482039 137338925 /nfs/dbraw/zinc/33/89/25/137338925.db2.gz UBCDHSDEQJZHSJ-UHFFFAOYSA-N 2 2 278.356 0.272 20 0 CCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000349627361 137397704 /nfs/dbraw/zinc/39/77/04/137397704.db2.gz CKMZRXQBKQYXHN-QWHCGFSZSA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000349627361 137397705 /nfs/dbraw/zinc/39/77/05/137397705.db2.gz CKMZRXQBKQYXHN-QWHCGFSZSA-N 2 2 297.399 0.176 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[NH+]2C)CCO1 ZINC000347661785 137348636 /nfs/dbraw/zinc/34/86/36/137348636.db2.gz KENPCCACGSLPCG-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[NH+]2C)CCO1 ZINC000347661785 137348637 /nfs/dbraw/zinc/34/86/37/137348637.db2.gz KENPCCACGSLPCG-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP CC[C@@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@@H+]2C)CCO1 ZINC000347661785 137348638 /nfs/dbraw/zinc/34/86/38/137348638.db2.gz KENPCCACGSLPCG-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP CC[C@@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@H+]2C)CCO1 ZINC000347661785 137348639 /nfs/dbraw/zinc/34/86/39/137348639.db2.gz KENPCCACGSLPCG-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP O[C@@H](C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)C1CC1 ZINC000348969413 137381840 /nfs/dbraw/zinc/38/18/40/137381840.db2.gz SURLKDVQYVLIRX-INIZCTEOSA-N 2 2 297.443 0.144 20 0 CCADLP O[C@@H](C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1)C1CC1 ZINC000348969413 137381841 /nfs/dbraw/zinc/38/18/41/137381841.db2.gz SURLKDVQYVLIRX-INIZCTEOSA-N 2 2 297.443 0.144 20 0 CCADLP Cc1cn2cc(NC(=O)CCOC3C[NH2+]C3)ccc2[nH+]1 ZINC000348986151 137382119 /nfs/dbraw/zinc/38/21/19/137382119.db2.gz BIWLFRXOENSYRE-UHFFFAOYSA-N 2 2 274.324 0.960 20 0 CCADLP O=C(CCOC1C[NH2+]C1)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000348990418 137382769 /nfs/dbraw/zinc/38/27/69/137382769.db2.gz LLAMGBWKNDMRNT-UHFFFAOYSA-N 3 2 287.323 0.584 20 0 CCADLP COCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050801919 348478841 /nfs/dbraw/zinc/47/88/41/348478841.db2.gz SEVKKWZFCGIKEU-UHFFFAOYSA-N 2 2 269.389 0.308 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976800 348674321 /nfs/dbraw/zinc/67/43/21/348674321.db2.gz SEKRCIUIQUSRQR-RWMBFGLXSA-N 2 2 269.389 0.293 20 0 CCADLP NC(=O)NC(=O)CC[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063190102 348682686 /nfs/dbraw/zinc/68/26/86/348682686.db2.gz SDUGPXPAMVEXEG-QWRGUYRKSA-N 2 2 268.361 0.178 20 0 CCADLP NC(=O)NC(=O)CC[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063190102 348682688 /nfs/dbraw/zinc/68/26/88/348682688.db2.gz SDUGPXPAMVEXEG-QWRGUYRKSA-N 2 2 268.361 0.178 20 0 CCADLP C[C@H]1CCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000066405938 348742276 /nfs/dbraw/zinc/74/22/76/348742276.db2.gz BLVBFJSNKODUFR-AWEZNQCLSA-N 2 2 297.443 0.945 20 0 CCADLP C[C@H]1CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000066405938 348742277 /nfs/dbraw/zinc/74/22/77/348742277.db2.gz BLVBFJSNKODUFR-AWEZNQCLSA-N 2 2 297.443 0.945 20 0 CCADLP O[C@@H](CN1CCC[C@H]1C[NH+]1CCCC1)C[NH+]1CCOCC1 ZINC000066665241 348753066 /nfs/dbraw/zinc/75/30/66/348753066.db2.gz JHWHBRLNCCEVJS-JKSUJKDBSA-N 2 2 297.443 0.240 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069857647 348863527 /nfs/dbraw/zinc/86/35/27/348863527.db2.gz XYZBHLBLRRNPSW-ZIAGYGMSSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069857647 348863528 /nfs/dbraw/zinc/86/35/28/348863528.db2.gz XYZBHLBLRRNPSW-ZIAGYGMSSA-N 2 2 295.427 0.698 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000070150090 348873621 /nfs/dbraw/zinc/87/36/21/348873621.db2.gz BBIAEIBGFBKWQZ-NSHDSACASA-N 2 2 270.377 0.426 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000070150090 348873623 /nfs/dbraw/zinc/87/36/23/348873623.db2.gz BBIAEIBGFBKWQZ-NSHDSACASA-N 2 2 270.377 0.426 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070149793 348873767 /nfs/dbraw/zinc/87/37/67/348873767.db2.gz XJJYIDDKLKLDJI-SNVBAGLBSA-N 2 2 256.350 0.035 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070149793 348873768 /nfs/dbraw/zinc/87/37/68/348873768.db2.gz XJJYIDDKLKLDJI-SNVBAGLBSA-N 2 2 256.350 0.035 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)n1C ZINC000070144287 348873831 /nfs/dbraw/zinc/87/38/31/348873831.db2.gz OUTQIPAPJYOTTC-SNVBAGLBSA-N 2 2 286.401 0.153 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NCCCn2cc[nH+]c2C)C1 ZINC000073711638 348959285 /nfs/dbraw/zinc/95/92/85/348959285.db2.gz VAWPRAARLLBREJ-ZDUSSCGKSA-N 2 2 280.372 0.419 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NCCCn2cc[nH+]c2C)C1 ZINC000073711638 348959288 /nfs/dbraw/zinc/95/92/88/348959288.db2.gz VAWPRAARLLBREJ-ZDUSSCGKSA-N 2 2 280.372 0.419 20 0 CCADLP C[NH+](C)CCCNC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000073902595 348965056 /nfs/dbraw/zinc/96/50/56/348965056.db2.gz ZAVFJSJHOKHOAY-UHFFFAOYSA-N 2 2 273.340 0.949 20 0 CCADLP C[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CCC1 ZINC000075842355 349053622 /nfs/dbraw/zinc/05/36/22/349053622.db2.gz UEAZPFFCLQPCRW-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP C[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CCC1 ZINC000075842355 349053624 /nfs/dbraw/zinc/05/36/24/349053624.db2.gz UEAZPFFCLQPCRW-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP C[N@@H+](CC(N)=O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110170 349070509 /nfs/dbraw/zinc/07/05/09/349070509.db2.gz IHGSCYKGWNCYCG-CQSZACIVSA-N 2 2 261.369 0.926 20 0 CCADLP C[N@H+](CC(N)=O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110170 349070511 /nfs/dbraw/zinc/07/05/11/349070511.db2.gz IHGSCYKGWNCYCG-CQSZACIVSA-N 2 2 261.369 0.926 20 0 CCADLP C[NH+](CC(N)=O)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110170 349070513 /nfs/dbraw/zinc/07/05/13/349070513.db2.gz IHGSCYKGWNCYCG-CQSZACIVSA-N 2 2 261.369 0.926 20 0 CCADLP C[NH+](CC(N)=O)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110170 349070514 /nfs/dbraw/zinc/07/05/14/349070514.db2.gz IHGSCYKGWNCYCG-CQSZACIVSA-N 2 2 261.369 0.926 20 0 CCADLP C[C@]1(C(=O)NCCCCn2cc[nH+]c2)CCC[NH2+]1 ZINC000079520723 349182352 /nfs/dbraw/zinc/18/23/52/349182352.db2.gz JIRMRELBVPIESV-CYBMUJFWSA-N 2 2 250.346 0.922 20 0 CCADLP O=C(NCC[NH+]1CCOCC1)N1CC[NH+](CC2CC2)CC1 ZINC000079809973 349190884 /nfs/dbraw/zinc/19/08/84/349190884.db2.gz KQWMCTQIWTUGLJ-UHFFFAOYSA-N 2 2 296.415 0.056 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)N2C[C@@H](C)[NH+](C)[C@H](C)C2)CC1 ZINC000339616383 215269718 /nfs/dbraw/zinc/26/97/18/215269718.db2.gz YQLQZOLUFJRPBC-KFWWJZLASA-N 2 2 296.459 0.563 20 0 CCADLP CS(=O)(=O)NCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961806 349235714 /nfs/dbraw/zinc/23/57/14/349235714.db2.gz OEWRNGQTDTVNFH-JTQLQIEISA-N 2 2 272.374 0.138 20 0 CCADLP CS(=O)(=O)NCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961806 349235718 /nfs/dbraw/zinc/23/57/18/349235718.db2.gz OEWRNGQTDTVNFH-JTQLQIEISA-N 2 2 272.374 0.138 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C)C[C@@H]2C(C)C)C1 ZINC000081433073 349264539 /nfs/dbraw/zinc/26/45/39/349264539.db2.gz CBNNOMVPHGXLPL-KGLIPLIRSA-N 2 2 283.416 0.506 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C)C[C@@H]2C(C)C)C1 ZINC000081433073 349264544 /nfs/dbraw/zinc/26/45/44/349264544.db2.gz CBNNOMVPHGXLPL-KGLIPLIRSA-N 2 2 283.416 0.506 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)C1 ZINC000081433073 349264549 /nfs/dbraw/zinc/26/45/49/349264549.db2.gz CBNNOMVPHGXLPL-KGLIPLIRSA-N 2 2 283.416 0.506 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)C1 ZINC000081433073 349264552 /nfs/dbraw/zinc/26/45/52/349264552.db2.gz CBNNOMVPHGXLPL-KGLIPLIRSA-N 2 2 283.416 0.506 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NCCC(=O)OC)C1 ZINC000081516587 349271742 /nfs/dbraw/zinc/27/17/42/349271742.db2.gz ZGHIVZRAJVGHRU-ZDUSSCGKSA-N 2 2 299.415 0.329 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NCCC(=O)OC)C1 ZINC000081516587 349271744 /nfs/dbraw/zinc/27/17/44/349271744.db2.gz ZGHIVZRAJVGHRU-ZDUSSCGKSA-N 2 2 299.415 0.329 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCCC(=O)OC)C1 ZINC000081516587 349271745 /nfs/dbraw/zinc/27/17/45/349271745.db2.gz ZGHIVZRAJVGHRU-ZDUSSCGKSA-N 2 2 299.415 0.329 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCCC(=O)OC)C1 ZINC000081516587 349271747 /nfs/dbraw/zinc/27/17/47/349271747.db2.gz ZGHIVZRAJVGHRU-ZDUSSCGKSA-N 2 2 299.415 0.329 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NC2CC2)C1 ZINC000081571182 349275674 /nfs/dbraw/zinc/27/56/74/349275674.db2.gz VEOZPQBWRRZJQI-LBPRGKRZSA-N 2 2 253.390 0.929 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NC2CC2)C1 ZINC000081571182 349275676 /nfs/dbraw/zinc/27/56/76/349275676.db2.gz VEOZPQBWRRZJQI-LBPRGKRZSA-N 2 2 253.390 0.929 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC000081571182 349275679 /nfs/dbraw/zinc/27/56/79/349275679.db2.gz VEOZPQBWRRZJQI-LBPRGKRZSA-N 2 2 253.390 0.929 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC000081571182 349275680 /nfs/dbraw/zinc/27/56/80/349275680.db2.gz VEOZPQBWRRZJQI-LBPRGKRZSA-N 2 2 253.390 0.929 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)Nc1cc[nH+]c(N(C)C)n1 ZINC000085431416 349334045 /nfs/dbraw/zinc/33/40/45/349334045.db2.gz AXUXUWRXPVCLJI-LLVKDONJSA-N 2 2 265.361 0.675 20 0 CCADLP CCOCCNC(=O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000084692536 349324598 /nfs/dbraw/zinc/32/45/98/349324598.db2.gz JGAGDRCZDDFWBD-UHFFFAOYSA-N 2 2 285.432 0.944 20 0 CCADLP CCOCCNC(=O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000084692536 349324599 /nfs/dbraw/zinc/32/45/99/349324599.db2.gz JGAGDRCZDDFWBD-UHFFFAOYSA-N 2 2 285.432 0.944 20 0 CCADLP C[N@@H+]1CCN(C(=O)COc2ccc(Cl)cc2)[C@H](C[NH3+])C1 ZINC000120778087 350004851 /nfs/dbraw/zinc/00/48/51/350004851.db2.gz OOMZZAAMNOBRFI-GFCCVEGCSA-N 2 2 297.786 0.820 20 0 CCADLP C[N@H+]1CCN(C(=O)COc2ccc(Cl)cc2)[C@H](C[NH3+])C1 ZINC000120778087 350004855 /nfs/dbraw/zinc/00/48/55/350004855.db2.gz OOMZZAAMNOBRFI-GFCCVEGCSA-N 2 2 297.786 0.820 20 0 CCADLP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)CN1CC[NH+](C)CC1 ZINC000120914018 350013391 /nfs/dbraw/zinc/01/33/91/350013391.db2.gz NHOOQTSFCTWPQC-OAGGEKHMSA-N 3 2 282.476 0.800 20 0 CCADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)CN1CC[NH+](C)CC1 ZINC000120914018 350013398 /nfs/dbraw/zinc/01/33/98/350013398.db2.gz NHOOQTSFCTWPQC-OAGGEKHMSA-N 3 2 282.476 0.800 20 0 CCADLP O[C@@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)C(F)(F)F ZINC000121316024 350032343 /nfs/dbraw/zinc/03/23/43/350032343.db2.gz NRXASGMBLHERNR-RYUDHWBXSA-N 2 2 296.333 0.954 20 0 CCADLP O[C@@H](C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)C(F)(F)F ZINC000121316024 350032345 /nfs/dbraw/zinc/03/23/45/350032345.db2.gz NRXASGMBLHERNR-RYUDHWBXSA-N 2 2 296.333 0.954 20 0 CCADLP COc1ccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])cc1O ZINC000122524014 350065255 /nfs/dbraw/zinc/06/52/55/350065255.db2.gz OMJZNDBMGDNFEZ-GFCCVEGCSA-N 2 2 265.357 0.476 20 0 CCADLP COc1ccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])cc1O ZINC000122524014 350065257 /nfs/dbraw/zinc/06/52/57/350065257.db2.gz OMJZNDBMGDNFEZ-GFCCVEGCSA-N 2 2 265.357 0.476 20 0 CCADLP C[N@@H+]1CCN(C(=O)/C=C/c2ccccc2)[C@@H](C[NH3+])C1 ZINC000122631270 350067578 /nfs/dbraw/zinc/06/75/78/350067578.db2.gz GIKBYGRPIKEIDX-NPQIQWPPSA-N 2 2 259.353 0.801 20 0 CCADLP C[N@H+]1CCN(C(=O)/C=C/c2ccccc2)[C@@H](C[NH3+])C1 ZINC000122631270 350067581 /nfs/dbraw/zinc/06/75/81/350067581.db2.gz GIKBYGRPIKEIDX-NPQIQWPPSA-N 2 2 259.353 0.801 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000124546481 350101757 /nfs/dbraw/zinc/10/17/57/350101757.db2.gz QJPGWBAEEVAFBI-QWRGUYRKSA-N 2 2 270.377 0.424 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000124546481 350101758 /nfs/dbraw/zinc/10/17/58/350101758.db2.gz QJPGWBAEEVAFBI-QWRGUYRKSA-N 2 2 270.377 0.424 20 0 CCADLP NC(=O)NC(=O)OCCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000125157660 350116811 /nfs/dbraw/zinc/11/68/11/350116811.db2.gz IONRVNWEJJRBHQ-UHFFFAOYSA-N 2 2 295.343 0.715 20 0 CCADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCNC(=O)[C@@H]1C ZINC000125496360 350123111 /nfs/dbraw/zinc/12/31/11/350123111.db2.gz DFGFATYEJQEDNA-NSHDSACASA-N 2 2 250.346 0.792 20 0 CCADLP Cc1[nH+]ccn1CCCC[N@H+]1CCNC(=O)[C@@H]1C ZINC000125496360 350123114 /nfs/dbraw/zinc/12/31/14/350123114.db2.gz DFGFATYEJQEDNA-NSHDSACASA-N 2 2 250.346 0.792 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+]2Cc3ccccc3C2)CC1 ZINC000127737003 350176939 /nfs/dbraw/zinc/17/69/39/350176939.db2.gz FPOPOSBTYHPBHS-UHFFFAOYSA-N 2 2 259.353 0.776 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NC(=O)NC1CCCCC1 ZINC000129064275 350204358 /nfs/dbraw/zinc/20/43/58/350204358.db2.gz ADKWVIKBLVOSSV-VXGBXAGGSA-N 2 2 296.415 0.957 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NC(=O)NC1CCCCC1 ZINC000129064275 350204361 /nfs/dbraw/zinc/20/43/61/350204361.db2.gz ADKWVIKBLVOSSV-VXGBXAGGSA-N 2 2 296.415 0.957 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000105130148 186042928 /nfs/dbraw/zinc/04/29/28/186042928.db2.gz OGIPGEXUJPAXMS-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@H]([NH3+])Cc2ccccc2)C1 ZINC000091669105 180224054 /nfs/dbraw/zinc/22/40/54/180224054.db2.gz IEORQSFXVYIKLV-ZIAGYGMSSA-N 2 2 277.368 0.003 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)[C@H]([NH3+])Cc2ccccc2)C1 ZINC000091669105 180224057 /nfs/dbraw/zinc/22/40/57/180224057.db2.gz IEORQSFXVYIKLV-ZIAGYGMSSA-N 2 2 277.368 0.003 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](CO)Cc1ccccc1 ZINC000133994801 350351081 /nfs/dbraw/zinc/35/10/81/350351081.db2.gz LEHVCJMZQGCFQJ-VNQPRFMTSA-N 2 2 278.396 0.947 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[NH+](C(C)C)CC1 ZINC000134830353 350376894 /nfs/dbraw/zinc/37/68/94/350376894.db2.gz QMPNHHIYRMXBOG-UHFFFAOYSA-N 2 2 251.334 0.598 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915827 186089880 /nfs/dbraw/zinc/08/98/80/186089880.db2.gz UEARHSPLDFPFOJ-UHFFFAOYSA-N 2 2 266.389 0.662 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915827 186089881 /nfs/dbraw/zinc/08/98/81/186089881.db2.gz UEARHSPLDFPFOJ-UHFFFAOYSA-N 2 2 266.389 0.662 20 0 CCADLP CC(C)[C@H](C(=O)N[C@@H](C)C[NH+]1CCOCC1)[NH+](C)C ZINC000106431952 186117188 /nfs/dbraw/zinc/11/71/88/186117188.db2.gz IBNDUWZTFSIVCB-QWHCGFSZSA-N 2 2 271.405 0.410 20 0 CCADLP CCOC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000107369243 186172508 /nfs/dbraw/zinc/17/25/08/186172508.db2.gz KGNBRZSELYRQAB-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CCOC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000107369243 186172509 /nfs/dbraw/zinc/17/25/09/186172509.db2.gz KGNBRZSELYRQAB-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000151435027 350501318 /nfs/dbraw/zinc/50/13/18/350501318.db2.gz NJZBMQMCCFICAH-ZDUSSCGKSA-N 2 2 294.399 0.530 20 0 CCADLP COCC[N@@H+](C)CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000151435027 350501322 /nfs/dbraw/zinc/50/13/22/350501322.db2.gz NJZBMQMCCFICAH-ZDUSSCGKSA-N 2 2 294.399 0.530 20 0 CCADLP C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+]1CCSCC1 ZINC000152559473 350532920 /nfs/dbraw/zinc/53/29/20/350532920.db2.gz VOXJRQGYMQQPCM-RYUDHWBXSA-N 2 2 271.430 0.634 20 0 CCADLP C[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1C)[NH+]1CCSCC1 ZINC000152559473 350532923 /nfs/dbraw/zinc/53/29/23/350532923.db2.gz VOXJRQGYMQQPCM-RYUDHWBXSA-N 2 2 271.430 0.634 20 0 CCADLP C[C@H](C(=O)N(C)[C@H]1CCC[N@H+](C)C1)[NH+]1CCSCC1 ZINC000152983634 350548377 /nfs/dbraw/zinc/54/83/77/350548377.db2.gz MGPZYLWHAMDNBR-OLZOCXBDSA-N 2 2 285.457 0.976 20 0 CCADLP C[C@H](C(=O)N(C)[C@H]1CCC[N@@H+](C)C1)[NH+]1CCSCC1 ZINC000152983634 350548380 /nfs/dbraw/zinc/54/83/80/350548380.db2.gz MGPZYLWHAMDNBR-OLZOCXBDSA-N 2 2 285.457 0.976 20 0 CCADLP C[C@@H](CN[C@@H]1CC[N@@H+](C2CC2)C1)C[NH+]1CCOCC1 ZINC000153275649 350555945 /nfs/dbraw/zinc/55/59/45/350555945.db2.gz VAKFKRTZBPKNQS-UONOGXRCSA-N 2 2 267.417 0.781 20 0 CCADLP C[C@@H](CN[C@@H]1CC[N@H+](C2CC2)C1)C[NH+]1CCOCC1 ZINC000153275649 350555947 /nfs/dbraw/zinc/55/59/47/350555947.db2.gz VAKFKRTZBPKNQS-UONOGXRCSA-N 2 2 267.417 0.781 20 0 CCADLP CCC[NH+]1CCC([NH2+]C[C@H]2CS(=O)(=O)CCO2)CC1 ZINC000540394035 290908679 /nfs/dbraw/zinc/90/86/79/290908679.db2.gz ZMPMPBIICQNJPV-ZDUSSCGKSA-N 2 2 290.429 0.264 20 0 CCADLP OCC[NH+]1CCN(c2cc[nH+]cc2Br)CC1 ZINC000159934397 350692337 /nfs/dbraw/zinc/69/23/37/350692337.db2.gz AKJPOJCWIFJESP-UHFFFAOYSA-N 2 2 286.173 0.958 20 0 CCADLP C[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000167691052 350814029 /nfs/dbraw/zinc/81/40/29/350814029.db2.gz AMETUBREMBWZFR-SDDRHHMPSA-N 2 2 271.405 0.585 20 0 CCADLP C[C@H]([NH3+])C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000164786204 350783246 /nfs/dbraw/zinc/78/32/46/350783246.db2.gz DOFQNEZDESVKBB-NSHDSACASA-N 2 2 258.325 0.895 20 0 CCADLP O=C(C[C@H]1CCC[NH2+]1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000165684052 350792667 /nfs/dbraw/zinc/79/26/67/350792667.db2.gz SJXZLIXXBJRGSF-KGLIPLIRSA-N 2 2 281.400 0.452 20 0 CCADLP C[C@H]([NH3+])C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000165936965 350794928 /nfs/dbraw/zinc/79/49/28/350794928.db2.gz CRUQVUIAYMHGFM-VIFPVBQESA-N 2 2 253.371 0.570 20 0 CCADLP C[C@H]([NH3+])C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000165936965 350794930 /nfs/dbraw/zinc/79/49/30/350794930.db2.gz CRUQVUIAYMHGFM-VIFPVBQESA-N 2 2 253.371 0.570 20 0 CCADLP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000168325821 350823348 /nfs/dbraw/zinc/82/33/48/350823348.db2.gz YIPCHRLMGIWYSA-OLZOCXBDSA-N 2 2 292.383 0.597 20 0 CCADLP CCC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000167318457 350808598 /nfs/dbraw/zinc/80/85/98/350808598.db2.gz YRYHASBIDAAGLL-UONOGXRCSA-N 2 2 283.416 0.827 20 0 CCADLP Cn1cnnc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000170784192 350861441 /nfs/dbraw/zinc/86/14/41/350861441.db2.gz MWPITSLRGUBXSW-UHFFFAOYSA-N 2 2 279.388 0.359 20 0 CCADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000170793924 350861999 /nfs/dbraw/zinc/86/19/99/350861999.db2.gz USFOAPOKOCRSJA-ZDUSSCGKSA-N 2 2 291.461 0.732 20 0 CCADLP CC[NH+](CC)CCC[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000170793924 350862003 /nfs/dbraw/zinc/86/20/03/350862003.db2.gz USFOAPOKOCRSJA-ZDUSSCGKSA-N 2 2 291.461 0.732 20 0 CCADLP CNS(=O)(=O)CCC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000111219004 186371198 /nfs/dbraw/zinc/37/11/98/186371198.db2.gz KCWOYHPVMQDKLK-UHFFFAOYSA-N 2 2 277.434 0.388 20 0 CCADLP C[C@@H]1C[C@H](N(C)C(=O)NCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000173891650 351059971 /nfs/dbraw/zinc/05/99/71/351059971.db2.gz QGGLTOCSILOOJS-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1C[C@H](N(C)C(=O)NCC[NH+]2CCOCC2)CC[N@H+]1C ZINC000173891650 351059974 /nfs/dbraw/zinc/05/99/74/351059974.db2.gz QGGLTOCSILOOJS-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](O)CC2)CC1 ZINC000339781890 215337581 /nfs/dbraw/zinc/33/75/81/215337581.db2.gz FLBBTKRKBNPELK-ZIAGYGMSSA-N 2 2 283.416 0.386 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](O)CC2)CC1 ZINC000339781890 215337584 /nfs/dbraw/zinc/33/75/84/215337584.db2.gz FLBBTKRKBNPELK-ZIAGYGMSSA-N 2 2 283.416 0.386 20 0 CCADLP O=C1NC[C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)CCN12 ZINC000175926655 351150105 /nfs/dbraw/zinc/15/01/05/351150105.db2.gz UQUVIBGXWDQIIL-CYBMUJFWSA-N 2 2 298.350 0.477 20 0 CCADLP O=C1NC[C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)CCN12 ZINC000175926655 351150107 /nfs/dbraw/zinc/15/01/07/351150107.db2.gz UQUVIBGXWDQIIL-CYBMUJFWSA-N 2 2 298.350 0.477 20 0 CCADLP COCCOCC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000175677845 351139437 /nfs/dbraw/zinc/13/94/37/351139437.db2.gz AMUNOQMCRCRQIN-UHFFFAOYSA-N 2 2 274.405 0.428 20 0 CCADLP COCCOCC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000175677845 351139440 /nfs/dbraw/zinc/13/94/40/351139440.db2.gz AMUNOQMCRCRQIN-UHFFFAOYSA-N 2 2 274.405 0.428 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]2CCC[NH2+]C2)CCO1 ZINC000178743827 351243275 /nfs/dbraw/zinc/24/32/75/351243275.db2.gz XLJHCDNMWOCAMN-GFCCVEGCSA-N 2 2 269.389 0.213 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]2CCC[NH2+]C2)CCO1 ZINC000178743827 351243279 /nfs/dbraw/zinc/24/32/79/351243279.db2.gz XLJHCDNMWOCAMN-GFCCVEGCSA-N 2 2 269.389 0.213 20 0 CCADLP CCC[C@H](C)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181026139 351299377 /nfs/dbraw/zinc/29/93/77/351299377.db2.gz BKXUNMWZKTVEIE-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP C[N@H+](CCc1ccncc1)CC(=O)N1CC[NH+](C)CC1 ZINC000181460474 351320492 /nfs/dbraw/zinc/32/04/92/351320492.db2.gz KDPXNVOTCOQUDU-UHFFFAOYSA-N 2 2 276.384 0.330 20 0 CCADLP C[N@@H+](CCc1ccncc1)CC(=O)N1CC[NH+](C)CC1 ZINC000181460474 351320498 /nfs/dbraw/zinc/32/04/98/351320498.db2.gz KDPXNVOTCOQUDU-UHFFFAOYSA-N 2 2 276.384 0.330 20 0 CCADLP C[C@@H](C(N)=O)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188271828 351584124 /nfs/dbraw/zinc/58/41/24/351584124.db2.gz CALYHJXVGUZTRV-XJKSGUPXSA-N 2 2 291.395 0.429 20 0 CCADLP C[C@@H](C(N)=O)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188271828 351584131 /nfs/dbraw/zinc/58/41/31/351584131.db2.gz CALYHJXVGUZTRV-XJKSGUPXSA-N 2 2 291.395 0.429 20 0 CCADLP C[C@@H](C(N)=O)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188271828 351584135 /nfs/dbraw/zinc/58/41/35/351584135.db2.gz CALYHJXVGUZTRV-XJKSGUPXSA-N 2 2 291.395 0.429 20 0 CCADLP C[C@@H](C(N)=O)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188271828 351584138 /nfs/dbraw/zinc/58/41/38/351584138.db2.gz CALYHJXVGUZTRV-XJKSGUPXSA-N 2 2 291.395 0.429 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+](C[C@H](O)CSC)CC2)c1 ZINC000187875453 351560534 /nfs/dbraw/zinc/56/05/34/351560534.db2.gz XWQSILZQRWGYJF-LBPRGKRZSA-N 2 2 297.424 0.936 20 0 CCADLP COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000189576037 351690724 /nfs/dbraw/zinc/69/07/24/351690724.db2.gz UUSIYDGUFOROPO-UONOGXRCSA-N 2 2 295.383 0.970 20 0 CCADLP COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000189576037 351690728 /nfs/dbraw/zinc/69/07/28/351690728.db2.gz UUSIYDGUFOROPO-UONOGXRCSA-N 2 2 295.383 0.970 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000192109490 351783815 /nfs/dbraw/zinc/78/38/15/351783815.db2.gz JEXOZRKYIJBJEJ-QWRGUYRKSA-N 2 2 257.378 0.197 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000192109490 351783817 /nfs/dbraw/zinc/78/38/17/351783817.db2.gz JEXOZRKYIJBJEJ-QWRGUYRKSA-N 2 2 257.378 0.197 20 0 CCADLP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000195157744 351900236 /nfs/dbraw/zinc/90/02/36/351900236.db2.gz FLYBAARHDAEGOU-MNOVXSKESA-N 2 2 257.403 0.640 20 0 CCADLP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000195157744 351900239 /nfs/dbraw/zinc/90/02/39/351900239.db2.gz FLYBAARHDAEGOU-MNOVXSKESA-N 2 2 257.403 0.640 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NCCCOC)C1 ZINC000221299232 351977744 /nfs/dbraw/zinc/97/77/44/351977744.db2.gz GDTJXLFYXAZBBO-RYUDHWBXSA-N 2 2 257.378 0.069 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NCCCOC)C1 ZINC000221299232 351977748 /nfs/dbraw/zinc/97/77/48/351977748.db2.gz GDTJXLFYXAZBBO-RYUDHWBXSA-N 2 2 257.378 0.069 20 0 CCADLP CC[N@H+](CCCNC(=O)[C@H](C[NH3+])OC)c1ccccc1 ZINC000227375148 352049462 /nfs/dbraw/zinc/04/94/62/352049462.db2.gz ODGFEYNMFXRTHS-AWEZNQCLSA-N 2 2 279.384 0.993 20 0 CCADLP CC[N@@H+](CCCNC(=O)[C@H](C[NH3+])OC)c1ccccc1 ZINC000227375148 352049465 /nfs/dbraw/zinc/04/94/65/352049465.db2.gz ODGFEYNMFXRTHS-AWEZNQCLSA-N 2 2 279.384 0.993 20 0 CCADLP Cc1ccc([C@@H]([NH3+])C(=O)N[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000228092151 352068431 /nfs/dbraw/zinc/06/84/31/352068431.db2.gz XFIUJSSUINZONO-UKRRQHHQSA-N 2 2 291.395 0.832 20 0 CCADLP CC(C)[NH+]1CCC([NH2+]C[C@H]2CS(=O)(=O)CCO2)CC1 ZINC000542146055 290946667 /nfs/dbraw/zinc/94/66/67/290946667.db2.gz KFPBYGCHVOCJJA-ZDUSSCGKSA-N 2 2 290.429 0.262 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@H]2CSc3ccccc32)[C@@H](C[NH3+])C1 ZINC000226611486 352029990 /nfs/dbraw/zinc/02/99/90/352029990.db2.gz BJPFGRYHTUJAKY-AAEUAGOBSA-N 2 2 291.420 0.977 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]2CSc3ccccc32)[C@@H](C[NH3+])C1 ZINC000226611486 352029994 /nfs/dbraw/zinc/02/99/94/352029994.db2.gz BJPFGRYHTUJAKY-AAEUAGOBSA-N 2 2 291.420 0.977 20 0 CCADLP CC(C)[C@@H](CCO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000231071431 352125526 /nfs/dbraw/zinc/12/55/26/352125526.db2.gz LVKFYLCZCNEBLW-GFCCVEGCSA-N 2 2 254.378 0.983 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231671155 352131758 /nfs/dbraw/zinc/13/17/58/352131758.db2.gz HXFPYEUDXMKQKV-GFCCVEGCSA-N 2 2 284.404 0.686 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231671155 352131762 /nfs/dbraw/zinc/13/17/62/352131762.db2.gz HXFPYEUDXMKQKV-GFCCVEGCSA-N 2 2 284.404 0.686 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)CC[NH+]1CCOCC1 ZINC000237035882 352238105 /nfs/dbraw/zinc/23/81/05/352238105.db2.gz NWENTEDPHGNQHP-NWDGAFQWSA-N 2 2 257.378 0.150 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)C1CC[NH2+]CC1 ZINC000237065925 352240405 /nfs/dbraw/zinc/24/04/05/352240405.db2.gz QQSYQQOCBVAPFE-UHFFFAOYSA-N 2 2 262.357 0.763 20 0 CCADLP CCC[C@@H]([NH3+])C(=O)NCc1ccc[nH+]c1N(C)C ZINC000236968020 352232689 /nfs/dbraw/zinc/23/26/89/352232689.db2.gz XLWRSTWSXSUSSP-LLVKDONJSA-N 2 2 250.346 0.891 20 0 CCADLP C[C@@H](CNC(=O)c1csc(C[NH3+])n1)C[NH+]1CCOCC1 ZINC000237309860 352259544 /nfs/dbraw/zinc/25/95/44/352259544.db2.gz AAXCNYKHYXFDLN-JTQLQIEISA-N 2 2 298.412 0.300 20 0 CCADLP Cc1cccc([C@@H](CNC(=O)[C@@H](C)[NH3+])[NH+]2CCOCC2)c1 ZINC000237462517 352266279 /nfs/dbraw/zinc/26/62/79/352266279.db2.gz CYDVNBQTLPDOLC-UKRRQHHQSA-N 2 2 291.395 0.832 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)CCCn2cc[nH+]c2)n1C ZINC000603889107 363168041 /nfs/dbraw/zinc/16/80/41/363168041.db2.gz SNQJSNYZHUTZJZ-UHFFFAOYSA-N 2 2 290.371 0.779 20 0 CCADLP O=C(NCCc1cn2ccccc2[nH+]1)[C@@H]1CCC[NH2+]1 ZINC000237900095 352288593 /nfs/dbraw/zinc/28/85/93/352288593.db2.gz SOVBCBLOKCKVMK-LBPRGKRZSA-N 2 2 258.325 0.745 20 0 CCADLP O=C(NCCN1CC[NH2+]CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000238088111 352297476 /nfs/dbraw/zinc/29/74/76/352297476.db2.gz FTXIWFNFJFYRJZ-UHFFFAOYSA-N 2 2 299.378 0.507 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000245437245 352323330 /nfs/dbraw/zinc/32/33/30/352323330.db2.gz DRBNFBGDXJHXQK-OLZOCXBDSA-N 2 2 298.431 0.884 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000245437245 352323333 /nfs/dbraw/zinc/32/33/33/352323333.db2.gz DRBNFBGDXJHXQK-OLZOCXBDSA-N 2 2 298.431 0.884 20 0 CCADLP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655417318 412564217 /nfs/dbraw/zinc/56/42/17/412564217.db2.gz HPAWUVIPWXFBTI-RISCZKNCSA-N 2 2 264.373 0.935 20 0 CCADLP O=C1NCCCC[C@@H]1[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000245703015 352334301 /nfs/dbraw/zinc/33/43/01/352334301.db2.gz XXOYYCUGJKFFPT-GJZGRUSLSA-N 2 2 295.427 0.699 20 0 CCADLP O=C1NCCCC[C@@H]1[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000245703015 352334303 /nfs/dbraw/zinc/33/43/03/352334303.db2.gz XXOYYCUGJKFFPT-GJZGRUSLSA-N 2 2 295.427 0.699 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000246124235 352349323 /nfs/dbraw/zinc/34/93/23/352349323.db2.gz IPWYIYPXXPLECZ-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000246124235 352349326 /nfs/dbraw/zinc/34/93/26/352349326.db2.gz IPWYIYPXXPLECZ-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CC(C)C[C@@H](C[NH3+])NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655416196 412564021 /nfs/dbraw/zinc/56/40/21/412564021.db2.gz ZLZPOYDNLPBZKA-RYUDHWBXSA-N 2 2 264.373 0.935 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CCO1 ZINC000655419016 412564693 /nfs/dbraw/zinc/56/46/93/412564693.db2.gz JKSFUNICRGEPMA-SRVKXCTJSA-N 2 2 278.356 0.020 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655416195 412564494 /nfs/dbraw/zinc/56/44/94/412564494.db2.gz ZLZPOYDNLPBZKA-NWDGAFQWSA-N 2 2 264.373 0.935 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)C[C@@H]1[NH+]1CCOCC1 ZINC000246251366 352356796 /nfs/dbraw/zinc/35/67/96/352356796.db2.gz JYUKQBVOQMGNMN-RDBSUJKOSA-N 2 2 281.400 0.165 20 0 CCADLP O[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)C(F)(F)F ZINC000248394876 352437938 /nfs/dbraw/zinc/43/79/38/352437938.db2.gz NRXASGMBLHERNR-NWDGAFQWSA-N 2 2 296.333 0.954 20 0 CCADLP CC[C@H]1C[N@H+](CC(=O)NC(=O)NC2CCCC2)CC[C@H]1[NH3+] ZINC000251814830 352511987 /nfs/dbraw/zinc/51/19/87/352511987.db2.gz OWFQNRCVLYOBKM-WCQYABFASA-N 2 2 296.415 0.814 20 0 CCADLP CC[C@H]1C[N@@H+](CC(=O)NC(=O)NC2CCCC2)CC[C@H]1[NH3+] ZINC000251814830 352511988 /nfs/dbraw/zinc/51/19/88/352511988.db2.gz OWFQNRCVLYOBKM-WCQYABFASA-N 2 2 296.415 0.814 20 0 CCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453919 352515159 /nfs/dbraw/zinc/51/51/59/352515159.db2.gz ZFLNSNXYCLSGAY-AGIUHOORSA-N 2 2 251.374 0.539 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H](O)C2CCCCC2)CC1 ZINC000354891759 137598383 /nfs/dbraw/zinc/59/83/83/137598383.db2.gz KRIKRARHSWDDCS-HNNXBMFYSA-N 2 2 297.443 0.633 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000261584718 352561891 /nfs/dbraw/zinc/56/18/91/352561891.db2.gz SOBGGMWPURZTSS-NQBHXWOUSA-N 2 2 250.346 0.776 20 0 CCADLP [NH3+][C@@H](CNC(=O)N1CC[NH+](Cc2ccco2)CC1)C1CC1 ZINC000418500192 234140517 /nfs/dbraw/zinc/14/05/17/234140517.db2.gz PGNSXOBARBJMMY-AWEZNQCLSA-N 2 2 292.383 0.844 20 0 CCADLP C[C@H](CC[NH3+])NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000418559170 234166568 /nfs/dbraw/zinc/16/65/68/234166568.db2.gz POJAAVRMIYSCDN-CYBMUJFWSA-N 2 2 291.399 0.646 20 0 CCADLP Cc1nn(C)cc1[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000268923220 352829338 /nfs/dbraw/zinc/82/93/38/352829338.db2.gz PGEPDKCABDXTDT-RISCZKNCSA-N 2 2 293.415 0.719 20 0 CCADLP Cc1nn(C)cc1[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000268923220 352829340 /nfs/dbraw/zinc/82/93/40/352829340.db2.gz PGEPDKCABDXTDT-RISCZKNCSA-N 2 2 293.415 0.719 20 0 CCADLP Cc1cc(C)c(CNC(=O)C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c[nH+]1 ZINC000418889531 234253934 /nfs/dbraw/zinc/25/39/34/234253934.db2.gz QGHHEXBYNNJIQB-MFKMUULPSA-N 2 2 290.367 0.120 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)CCO1 ZINC000655446565 412573456 /nfs/dbraw/zinc/57/34/56/412573456.db2.gz WKZYIHNMHRBCLI-NFAWXSAZSA-N 2 2 281.400 0.213 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)c1conc1C(C)(C)[NH3+] ZINC000655444830 412573170 /nfs/dbraw/zinc/57/31/70/412573170.db2.gz RTELSSXNWFDASE-SNVBAGLBSA-N 2 2 296.371 0.319 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)CCO1 ZINC000655446565 412573460 /nfs/dbraw/zinc/57/34/60/412573460.db2.gz WKZYIHNMHRBCLI-NFAWXSAZSA-N 2 2 281.400 0.213 20 0 CCADLP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCn1cc[nH+]c1 ZINC000153823425 188106305 /nfs/dbraw/zinc/10/63/05/188106305.db2.gz VBEQAMLAYJUEEH-STQMWFEESA-N 2 2 279.388 0.865 20 0 CCADLP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCCn1cc[nH+]c1 ZINC000153823425 188106307 /nfs/dbraw/zinc/10/63/07/188106307.db2.gz VBEQAMLAYJUEEH-STQMWFEESA-N 2 2 279.388 0.865 20 0 CCADLP C[NH+](C)C[C@@](C)(O)CNc1cc(N2CCOCC2)nc[nH+]1 ZINC000277905280 353272465 /nfs/dbraw/zinc/27/24/65/353272465.db2.gz UPERTRSDHFZVLH-AWEZNQCLSA-N 2 2 295.387 0.038 20 0 CCADLP C[NH+](C)C[C@@](C)(O)CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000277905280 353272466 /nfs/dbraw/zinc/27/24/66/353272466.db2.gz UPERTRSDHFZVLH-AWEZNQCLSA-N 2 2 295.387 0.038 20 0 CCADLP Cn1ncc2c1nc(NC1CC[NH+](C3CC3)CC1)[nH+]c2N ZINC000278376595 353296233 /nfs/dbraw/zinc/29/62/33/353296233.db2.gz LHEQSFGZRVWMBP-UHFFFAOYSA-N 2 2 287.371 0.984 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N2CCOCC2)C[C@@H]1n1cc[nH+]c1 ZINC000156408625 188260763 /nfs/dbraw/zinc/26/07/63/188260763.db2.gz RMKTZDJTQWIABF-KBPBESRZSA-N 2 2 292.383 0.625 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1n1cc[nH+]c1 ZINC000156408625 188260765 /nfs/dbraw/zinc/26/07/65/188260765.db2.gz RMKTZDJTQWIABF-KBPBESRZSA-N 2 2 292.383 0.625 20 0 CCADLP O=c1c2ccccc2ncn1CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000604997423 363235823 /nfs/dbraw/zinc/23/58/23/363235823.db2.gz VGSXMOCLNXCULT-STQMWFEESA-N 2 2 284.363 0.548 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2[nH+]ccn2C)[C@H](C)C1 ZINC000287347614 353640396 /nfs/dbraw/zinc/64/03/96/353640396.db2.gz IZWRZEQVYYUMHT-NEPJUHHUSA-N 2 2 295.387 0.017 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NCc2[nH+]ccn2C)[C@H](C)C1 ZINC000287347614 353640398 /nfs/dbraw/zinc/64/03/98/353640398.db2.gz IZWRZEQVYYUMHT-NEPJUHHUSA-N 2 2 295.387 0.017 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000290108579 353708148 /nfs/dbraw/zinc/70/81/48/353708148.db2.gz YIFKFOMHXSMTNA-ZDUSSCGKSA-N 2 2 292.314 0.601 20 0 CCADLP [NH3+]CC[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(F)F ZINC000655464853 412582840 /nfs/dbraw/zinc/58/28/40/412582840.db2.gz AFROCQNKGNLWNM-RKDXNWHRSA-N 2 2 272.299 0.544 20 0 CCADLP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1[nH+]ccn1C ZINC000290158861 353711618 /nfs/dbraw/zinc/71/16/18/353711618.db2.gz LULQSCUVONQMFN-CMPLNLGQSA-N 2 2 250.346 0.670 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000290222763 353715779 /nfs/dbraw/zinc/71/57/79/353715779.db2.gz TYGVOXBBMKTVAE-JSGCOSHPSA-N 2 2 292.383 0.261 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000290503243 353730630 /nfs/dbraw/zinc/73/06/30/353730630.db2.gz KUFCZMGHUFGVLT-QMMMGPOBSA-N 2 2 272.316 0.643 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)N1CCn2c[nH+]cc2C1 ZINC000290670909 353741788 /nfs/dbraw/zinc/74/17/88/353741788.db2.gz OYQXJHWFNQYGOS-UHFFFAOYSA-N 2 2 274.328 0.695 20 0 CCADLP C[NH+](C)C[C@@H]1CCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000293054996 353788059 /nfs/dbraw/zinc/78/80/59/353788059.db2.gz LVCAODSAMJSNRN-ZDUSSCGKSA-N 2 2 291.399 0.701 20 0 CCADLP C[NH+](C)C[C@@H]1CCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000293054996 353788063 /nfs/dbraw/zinc/78/80/63/353788063.db2.gz LVCAODSAMJSNRN-ZDUSSCGKSA-N 2 2 291.399 0.701 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000295791671 353918846 /nfs/dbraw/zinc/91/88/46/353918846.db2.gz QZMCRYKYGHBUEU-NSHDSACASA-N 2 2 282.413 0.957 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000296503106 353949662 /nfs/dbraw/zinc/94/96/62/353949662.db2.gz RALQZNOIUWGJNM-ZDUSSCGKSA-N 2 2 288.395 0.866 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)c[nH+]1 ZINC000299470948 354019195 /nfs/dbraw/zinc/01/91/95/354019195.db2.gz AHNSVLQCZSWRIE-GFCCVEGCSA-N 2 2 262.357 0.858 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C)c[nH+]1 ZINC000299470948 354019198 /nfs/dbraw/zinc/01/91/98/354019198.db2.gz AHNSVLQCZSWRIE-GFCCVEGCSA-N 2 2 262.357 0.858 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)CCn1cc[nH+]c1 ZINC000299642136 354035096 /nfs/dbraw/zinc/03/50/96/354035096.db2.gz MARHBAGHFTYHRX-LBPRGKRZSA-N 2 2 266.345 0.110 20 0 CCADLP Cc1nc(NC[C@H]2CC[N@@H+](C(C)C)C2)nc(N)[nH+]1 ZINC000302575457 354082592 /nfs/dbraw/zinc/08/25/92/354082592.db2.gz AYMBTFRHOPXMNE-SNVBAGLBSA-N 2 2 250.350 0.904 20 0 CCADLP Cc1nc(NC[C@H]2CC[N@H+](C(C)C)C2)nc(N)[nH+]1 ZINC000302575457 354082593 /nfs/dbraw/zinc/08/25/93/354082593.db2.gz AYMBTFRHOPXMNE-SNVBAGLBSA-N 2 2 250.350 0.904 20 0 CCADLP Cc1nc(N)nc(NC[C@H]2CC[N@@H+](C(C)C)C2)[nH+]1 ZINC000302575457 354082595 /nfs/dbraw/zinc/08/25/95/354082595.db2.gz AYMBTFRHOPXMNE-SNVBAGLBSA-N 2 2 250.350 0.904 20 0 CCADLP Cc1nc(N)nc(NC[C@H]2CC[N@H+](C(C)C)C2)[nH+]1 ZINC000302575457 354082596 /nfs/dbraw/zinc/08/25/96/354082596.db2.gz AYMBTFRHOPXMNE-SNVBAGLBSA-N 2 2 250.350 0.904 20 0 CCADLP CC[NH+](CC)C[C@@H]1CCN(C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000304313263 354112643 /nfs/dbraw/zinc/11/26/43/354112643.db2.gz NBVIFBIOLXMTNH-JKSUJKDBSA-N 2 2 299.459 0.343 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+](CCCN2CCOCC2)CC1 ZINC000304330855 354113566 /nfs/dbraw/zinc/11/35/66/354113566.db2.gz VDFDYURCBKLXNJ-UHFFFAOYSA-N 2 2 299.459 0.487 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+](CCCN2CCOCC2)CC1 ZINC000304330855 354113567 /nfs/dbraw/zinc/11/35/67/354113567.db2.gz VDFDYURCBKLXNJ-UHFFFAOYSA-N 2 2 299.459 0.487 20 0 CCADLP CCCc1[nH+]ccn1C[C@H](O)C[NH+]1CCOCC1 ZINC000305292309 354142917 /nfs/dbraw/zinc/14/29/17/354142917.db2.gz GOHLVALNXCQVLW-GFCCVEGCSA-N 2 2 253.346 0.529 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(c2cc[nH+]c(N(C)C)n2)C[C@@H]1C ZINC000607144999 363339425 /nfs/dbraw/zinc/33/94/25/363339425.db2.gz NHXPGXISQARVAU-NWDGAFQWSA-N 2 2 279.388 0.434 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(c2cc[nH+]c(N(C)C)n2)C[C@@H]1C ZINC000607144999 363339431 /nfs/dbraw/zinc/33/94/31/363339431.db2.gz NHXPGXISQARVAU-NWDGAFQWSA-N 2 2 279.388 0.434 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](CCO)c2ccccc2)CC1 ZINC000305786138 354161988 /nfs/dbraw/zinc/16/19/88/354161988.db2.gz XZGVIGRVIJEHSU-OAHLLOKOSA-N 2 2 291.395 0.474 20 0 CCADLP CC1CCN(C(=O)C[N@@H+]2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000313349024 354214175 /nfs/dbraw/zinc/21/41/75/354214175.db2.gz UQJKVVLKCAFJDI-ZDUSSCGKSA-N 2 2 269.389 0.295 20 0 CCADLP CC1CCN(C(=O)C[N@H+]2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000313349024 354214180 /nfs/dbraw/zinc/21/41/80/354214180.db2.gz UQJKVVLKCAFJDI-ZDUSSCGKSA-N 2 2 269.389 0.295 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000330364858 354326253 /nfs/dbraw/zinc/32/62/53/354326253.db2.gz YWESQKPVNOTMOE-LLVKDONJSA-N 2 2 257.359 0.310 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000330364858 354326255 /nfs/dbraw/zinc/32/62/55/354326255.db2.gz YWESQKPVNOTMOE-LLVKDONJSA-N 2 2 257.359 0.310 20 0 CCADLP Cc1cc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)nn1C ZINC000330389358 354340158 /nfs/dbraw/zinc/34/01/58/354340158.db2.gz XYQPWFCJVJKPKC-WCQYABFASA-N 2 2 252.362 0.446 20 0 CCADLP Cc1cc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)nn1C ZINC000330389358 354340160 /nfs/dbraw/zinc/34/01/60/354340160.db2.gz XYQPWFCJVJKPKC-WCQYABFASA-N 2 2 252.362 0.446 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1C[C@H](C)CC[NH2+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488444 412590735 /nfs/dbraw/zinc/59/07/35/412590735.db2.gz ZTGODHUGSXBBQS-QKGCVVFFSA-N 2 2 297.443 0.988 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1C[C@H](C)CC[NH2+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488444 412590738 /nfs/dbraw/zinc/59/07/38/412590738.db2.gz ZTGODHUGSXBBQS-QKGCVVFFSA-N 2 2 297.443 0.988 20 0 CCADLP Cn1cc([C@H](CO)[NH2+]CC[C@@H]2CCC[N@@H+]2C)cn1 ZINC000331146335 354466156 /nfs/dbraw/zinc/46/61/56/354466156.db2.gz HFLPZQLZLVSISE-STQMWFEESA-N 2 2 252.362 0.527 20 0 CCADLP Cn1cc([C@H](CO)[NH2+]CC[C@@H]2CCC[N@H+]2C)cn1 ZINC000331146335 354466158 /nfs/dbraw/zinc/46/61/58/354466158.db2.gz HFLPZQLZLVSISE-STQMWFEESA-N 2 2 252.362 0.527 20 0 CCADLP CSC[C@@H](O)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000331153728 354469204 /nfs/dbraw/zinc/46/92/04/354469204.db2.gz PADFYVKNYZAWRV-NSHDSACASA-N 2 2 270.402 0.251 20 0 CCADLP C[C@@H](C(=O)NCCCn1cc[nH+]c1)[NH+]1CC(C)C1 ZINC000557443936 291033004 /nfs/dbraw/zinc/03/30/04/291033004.db2.gz IJERTPTUGDDDDF-LBPRGKRZSA-N 2 2 250.346 0.730 20 0 CCADLP Cc1noc(CCC[NH+]2CCN(C(=O)C[NH+](C)C)CC2)n1 ZINC000331248684 354504777 /nfs/dbraw/zinc/50/47/77/354504777.db2.gz RFTFIGCCUQKGDH-UHFFFAOYSA-N 2 2 295.387 0.016 20 0 CCADLP Cn1cc([C@@H]2C[N@H+](CC[C@@H]3CC[NH2+]C3)C[C@H]2[NH3+])cn1 ZINC000333654250 354770629 /nfs/dbraw/zinc/77/06/29/354770629.db2.gz ZPMUSBGOJBAMDN-FPMFFAJLSA-N 3 2 263.389 0.146 20 0 CCADLP Cn1cc([C@@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)C[C@H]2[NH3+])cn1 ZINC000333654250 354770633 /nfs/dbraw/zinc/77/06/33/354770633.db2.gz ZPMUSBGOJBAMDN-FPMFFAJLSA-N 3 2 263.389 0.146 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@H](OC2CCC2)C1 ZINC000655495619 412596610 /nfs/dbraw/zinc/59/66/10/412596610.db2.gz RIHONFMRNWOLPB-KBPBESRZSA-N 2 2 283.416 0.826 20 0 CCADLP COCCC[N@H+](C)CC[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000608062157 363397799 /nfs/dbraw/zinc/39/77/99/363397799.db2.gz USPSLKLOUVUNCX-ZDUSSCGKSA-N 2 2 281.404 0.483 20 0 CCADLP COCCC[N@@H+](C)CC[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000608062157 363397806 /nfs/dbraw/zinc/39/78/06/363397806.db2.gz USPSLKLOUVUNCX-ZDUSSCGKSA-N 2 2 281.404 0.483 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000334042756 354841993 /nfs/dbraw/zinc/84/19/93/354841993.db2.gz OWMQHXRXSNSIKD-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCSC(C)(C)CC2)CC1 ZINC000334573621 354899519 /nfs/dbraw/zinc/89/95/19/354899519.db2.gz OMSMKBJDKCLBPP-UHFFFAOYSA-N 2 2 285.457 0.978 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCSC(C)(C)CC2)CC1 ZINC000334573621 354899522 /nfs/dbraw/zinc/89/95/22/354899522.db2.gz OMSMKBJDKCLBPP-UHFFFAOYSA-N 2 2 285.457 0.978 20 0 CCADLP [NH3+][C@@H]1CCCN(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000335062536 354954799 /nfs/dbraw/zinc/95/47/99/354954799.db2.gz KJBZMJSRPCEETQ-VHSXEESVSA-N 2 2 276.331 0.364 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000335076549 354957906 /nfs/dbraw/zinc/95/79/06/354957906.db2.gz MKPALUDZSPZDGT-GHMZBOCLSA-N 2 2 250.346 0.743 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000335076549 354957909 /nfs/dbraw/zinc/95/79/09/354957909.db2.gz MKPALUDZSPZDGT-GHMZBOCLSA-N 2 2 250.346 0.743 20 0 CCADLP COC[C@@H](C)[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000336697582 355139410 /nfs/dbraw/zinc/13/94/10/355139410.db2.gz DGYRTMUNLHFSPN-GFCCVEGCSA-N 2 2 252.362 0.573 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CC2(C)COC2)CC1 ZINC000336732913 355154704 /nfs/dbraw/zinc/15/47/04/355154704.db2.gz SQLANDHEUQGVEF-UHFFFAOYSA-N 2 2 250.346 0.579 20 0 CCADLP C(C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)N1CCOCC1 ZINC000336834559 355206918 /nfs/dbraw/zinc/20/69/18/355206918.db2.gz GTOOWDBFLZSJKL-MRXNPFEDSA-N 2 2 297.443 0.363 20 0 CCADLP C(C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)N1CCOCC1 ZINC000336834559 355206923 /nfs/dbraw/zinc/20/69/23/355206923.db2.gz GTOOWDBFLZSJKL-MRXNPFEDSA-N 2 2 297.443 0.363 20 0 CCADLP CCCCNC(=O)[C@H](C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000336840380 355210240 /nfs/dbraw/zinc/21/02/40/355210240.db2.gz PVAMRTDAIDNCMO-UONOGXRCSA-N 2 2 282.432 0.271 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000336815665 355190086 /nfs/dbraw/zinc/19/00/86/355190086.db2.gz INCKTSVNYBVUAP-RWMBFGLXSA-N 2 2 269.389 0.069 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000336815665 355190088 /nfs/dbraw/zinc/19/00/88/355190088.db2.gz INCKTSVNYBVUAP-RWMBFGLXSA-N 2 2 269.389 0.069 20 0 CCADLP CC(C)[N@@H+]1CCCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000336822407 355196573 /nfs/dbraw/zinc/19/65/73/355196573.db2.gz LPHPVEJVPZDYAW-OAHLLOKOSA-N 2 2 285.432 0.096 20 0 CCADLP CC(C)[N@H+]1CCCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000336822407 355196576 /nfs/dbraw/zinc/19/65/76/355196576.db2.gz LPHPVEJVPZDYAW-OAHLLOKOSA-N 2 2 285.432 0.096 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@H](CN2CCOCC2)C1)C1CC1 ZINC000336850159 355217965 /nfs/dbraw/zinc/21/79/65/355217965.db2.gz VUGLNRLHJHQMRS-GDBMZVCRSA-N 2 2 297.443 0.096 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@H](CN2CCOCC2)C1)C1CC1 ZINC000336850159 355217966 /nfs/dbraw/zinc/21/79/66/355217966.db2.gz VUGLNRLHJHQMRS-GDBMZVCRSA-N 2 2 297.443 0.096 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@H](CN2CCOCC2)C1)C1CC1 ZINC000336850159 355217970 /nfs/dbraw/zinc/21/79/70/355217970.db2.gz VUGLNRLHJHQMRS-GDBMZVCRSA-N 2 2 297.443 0.096 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@H](CN2CCOCC2)C1)C1CC1 ZINC000336850159 355217973 /nfs/dbraw/zinc/21/79/73/355217973.db2.gz VUGLNRLHJHQMRS-GDBMZVCRSA-N 2 2 297.443 0.096 20 0 CCADLP C[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)C(=O)NCCF ZINC000337274934 355294798 /nfs/dbraw/zinc/29/47/98/355294798.db2.gz DLMOSEZYETYCMS-SNVBAGLBSA-N 2 2 264.304 0.898 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000338427090 355345414 /nfs/dbraw/zinc/34/54/14/355345414.db2.gz VGNBRCWNNDLRLL-GFCCVEGCSA-N 2 2 257.378 0.164 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000338427090 355345416 /nfs/dbraw/zinc/34/54/16/355345416.db2.gz VGNBRCWNNDLRLL-GFCCVEGCSA-N 2 2 257.378 0.164 20 0 CCADLP COCCCn1nccc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000338436546 355347807 /nfs/dbraw/zinc/34/78/07/355347807.db2.gz NKMGYJCHWMQUTO-OAHLLOKOSA-N 2 2 296.415 0.466 20 0 CCADLP CC1CC[NH+](CC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000532137804 358497206 /nfs/dbraw/zinc/49/72/06/358497206.db2.gz YBRYCLHHTAPBLE-AWEZNQCLSA-N 2 2 283.416 0.555 20 0 CCADLP CC1CC[NH+](CC(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000532137804 358497207 /nfs/dbraw/zinc/49/72/07/358497207.db2.gz YBRYCLHHTAPBLE-AWEZNQCLSA-N 2 2 283.416 0.555 20 0 CCADLP [NH3+]C[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)C(F)(F)F ZINC000655519444 412611827 /nfs/dbraw/zinc/61/18/27/412611827.db2.gz UIQCEOGZWRCHLZ-SECBINFHSA-N 2 2 290.289 0.768 20 0 CCADLP C[C@@H]1OCC[NH2+][C@@H]1C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC000343434102 355769821 /nfs/dbraw/zinc/76/98/21/355769821.db2.gz JVKATDCOBOAAIU-RNSXUZJQSA-N 2 2 296.396 0.275 20 0 CCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)[C@@H]1CCC[NH+]1C ZINC000345378786 355810224 /nfs/dbraw/zinc/81/02/24/355810224.db2.gz GOPFALFLQOQZQG-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)[C@@H]1CCC[NH+]1C ZINC000345378786 355810228 /nfs/dbraw/zinc/81/02/28/355810228.db2.gz GOPFALFLQOQZQG-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000345378786 355810231 /nfs/dbraw/zinc/81/02/31/355810231.db2.gz GOPFALFLQOQZQG-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000345378786 355810235 /nfs/dbraw/zinc/81/02/35/355810235.db2.gz GOPFALFLQOQZQG-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@](C)(O)CC2)CC1 ZINC000348373004 355921189 /nfs/dbraw/zinc/92/11/89/355921189.db2.gz PJOJFJHFMSPRLE-GDBMZVCRSA-N 2 2 297.443 0.776 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@](C)(O)CC2)CC1 ZINC000348373004 355921193 /nfs/dbraw/zinc/92/11/93/355921193.db2.gz PJOJFJHFMSPRLE-GDBMZVCRSA-N 2 2 297.443 0.776 20 0 CCADLP CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000348367510 355921461 /nfs/dbraw/zinc/92/14/61/355921461.db2.gz COVPCCVVFNIWOP-RBSFLKMASA-N 2 2 295.427 0.698 20 0 CCADLP CCN(CCC[NH+](CC)CC)C(=O)[C@H]1COCC[N@@H+]1C ZINC000347821373 355882585 /nfs/dbraw/zinc/88/25/85/355882585.db2.gz ISDLRWYMEIZIAT-CQSZACIVSA-N 2 2 285.432 0.897 20 0 CCADLP CCN(CCC[NH+](CC)CC)C(=O)[C@H]1COCC[N@H+]1C ZINC000347821373 355882590 /nfs/dbraw/zinc/88/25/90/355882590.db2.gz ISDLRWYMEIZIAT-CQSZACIVSA-N 2 2 285.432 0.897 20 0 CCADLP O=C(NCC[NH+]1CCSCC1)N1CC[NH+](C2CC2)CC1 ZINC000352695360 356056876 /nfs/dbraw/zinc/05/68/76/356056876.db2.gz YWHDRDIWYHYRTP-UHFFFAOYSA-N 2 2 298.456 0.525 20 0 CCADLP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C(=O)N(C)C ZINC000352710005 356060514 /nfs/dbraw/zinc/06/05/14/356060514.db2.gz GGNMGPWANCRIOK-VIFPVBQESA-N 2 2 270.402 0.771 20 0 CCADLP C[C@H](C(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C)N1CC[NH+](C)CC1 ZINC000352782159 356079115 /nfs/dbraw/zinc/07/91/15/356079115.db2.gz UKUUNIVTRCLWQU-HZSPNIEDSA-N 2 2 282.432 0.173 20 0 CCADLP C[C@H](C(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C)N1CC[NH+](C)CC1 ZINC000352782159 356079119 /nfs/dbraw/zinc/07/91/19/356079119.db2.gz UKUUNIVTRCLWQU-HZSPNIEDSA-N 2 2 282.432 0.173 20 0 CCADLP C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C(=O)NCCF ZINC000352856870 356096789 /nfs/dbraw/zinc/09/67/89/356096789.db2.gz HVHRBKMKKPGQPH-SECBINFHSA-N 2 2 288.392 0.769 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]CCCn2cc(CO)nn2)[C@@H](C)C1 ZINC000353191897 356174744 /nfs/dbraw/zinc/17/47/44/356174744.db2.gz LAAATPQHTLLDAI-AAEUAGOBSA-N 2 2 267.377 0.090 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]CCCn2cc(CO)nn2)[C@@H](C)C1 ZINC000353191897 356174749 /nfs/dbraw/zinc/17/47/49/356174749.db2.gz LAAATPQHTLLDAI-AAEUAGOBSA-N 2 2 267.377 0.090 20 0 CCADLP C[C@@H](C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)[NH+]1CCOCC1 ZINC000353375576 356211889 /nfs/dbraw/zinc/21/18/89/356211889.db2.gz PTELFFKMATUPGU-DZGCQCFKSA-N 2 2 295.427 0.555 20 0 CCADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000353441992 356223381 /nfs/dbraw/zinc/22/33/81/356223381.db2.gz GCJHHZKCKHUKFA-CHWSQXEVSA-N 2 2 283.416 0.602 20 0 CCADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000353441992 356223384 /nfs/dbraw/zinc/22/33/84/356223384.db2.gz GCJHHZKCKHUKFA-CHWSQXEVSA-N 2 2 283.416 0.602 20 0 CCADLP O=C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)NC(C1CC1)C1CC1 ZINC000360565733 138000622 /nfs/dbraw/zinc/00/06/22/138000622.db2.gz VYAMNXGCDIHRTR-INIZCTEOSA-N 2 2 277.412 0.977 20 0 CCADLP O=C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)NC(C1CC1)C1CC1 ZINC000360565733 138000623 /nfs/dbraw/zinc/00/06/23/138000623.db2.gz VYAMNXGCDIHRTR-INIZCTEOSA-N 2 2 277.412 0.977 20 0 CCADLP C[C@H](C[NH2+][C@@H](C)C(C)(C)n1cncn1)C[NH+]1CCOCC1 ZINC000353255754 356189017 /nfs/dbraw/zinc/18/90/17/356189017.db2.gz ODCOBWBNEYTUDJ-KGLIPLIRSA-N 2 2 295.431 0.960 20 0 CCADLP C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000353348469 356207686 /nfs/dbraw/zinc/20/76/86/356207686.db2.gz JTUIHOWATAASFB-CQSZACIVSA-N 2 2 289.339 0.522 20 0 CCADLP C[N@H+]1CC[C@@](O)(CNC(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000353348469 356207687 /nfs/dbraw/zinc/20/76/87/356207687.db2.gz JTUIHOWATAASFB-CQSZACIVSA-N 2 2 289.339 0.522 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000353567367 356251258 /nfs/dbraw/zinc/25/12/58/356251258.db2.gz NNLFNVPZMTZQIN-BXUZGUMPSA-N 2 2 279.388 0.233 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000353567367 356251260 /nfs/dbraw/zinc/25/12/60/356251260.db2.gz NNLFNVPZMTZQIN-BXUZGUMPSA-N 2 2 279.388 0.233 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000353580941 356253978 /nfs/dbraw/zinc/25/39/78/356253978.db2.gz VFVQBQJYWNRVQC-YPMHNXCESA-N 2 2 257.378 0.341 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000353580941 356253980 /nfs/dbraw/zinc/25/39/80/356253980.db2.gz VFVQBQJYWNRVQC-YPMHNXCESA-N 2 2 257.378 0.341 20 0 CCADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](CS(C)(=O)=O)C2CC2)C1 ZINC000559765842 291087830 /nfs/dbraw/zinc/08/78/30/291087830.db2.gz DDQMDJCSIQQYMP-AAEUAGOBSA-N 2 2 274.430 0.741 20 0 CCADLP C[N@H+]1CCC[C@@H](C[NH2+][C@@H](CS(C)(=O)=O)C2CC2)C1 ZINC000559765842 291087832 /nfs/dbraw/zinc/08/78/32/291087832.db2.gz DDQMDJCSIQQYMP-AAEUAGOBSA-N 2 2 274.430 0.741 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)[C@@H]2CCOC2)C[N@@H+]1C1CC1 ZINC000360761275 138010086 /nfs/dbraw/zinc/01/00/86/138010086.db2.gz AQQVMOMRDCCPLO-MQYQWHSLSA-N 2 2 268.401 0.846 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)[C@@H]2CCOC2)C[N@H+]1C1CC1 ZINC000360761275 138010087 /nfs/dbraw/zinc/01/00/87/138010087.db2.gz AQQVMOMRDCCPLO-MQYQWHSLSA-N 2 2 268.401 0.846 20 0 CCADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CC[C@@H](CO)O2)s1 ZINC000353709008 356278440 /nfs/dbraw/zinc/27/84/40/356278440.db2.gz RSUPZPOYJPWNTJ-MNOVXSKESA-N 2 2 285.413 0.834 20 0 CCADLP CCN1CC[N@H+](CCCn2cc[nH+]c2C)CC1=O ZINC000273528755 192188925 /nfs/dbraw/zinc/18/89/25/192188925.db2.gz RCNNXXXSJKHKJL-UHFFFAOYSA-N 2 2 250.346 0.746 20 0 CCADLP CCN1CC[N@@H+](CCCn2cc[nH+]c2C)CC1=O ZINC000273528755 192188926 /nfs/dbraw/zinc/18/89/26/192188926.db2.gz RCNNXXXSJKHKJL-UHFFFAOYSA-N 2 2 250.346 0.746 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000353815566 356299578 /nfs/dbraw/zinc/29/95/78/356299578.db2.gz NLRNYHLFHWMWED-AVGNSLFASA-N 2 2 269.389 0.067 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000353815566 356299582 /nfs/dbraw/zinc/29/95/82/356299582.db2.gz NLRNYHLFHWMWED-AVGNSLFASA-N 2 2 269.389 0.067 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)C(=O)N(C)C)CC1 ZINC000361144991 138022736 /nfs/dbraw/zinc/02/27/36/138022736.db2.gz NHZMUIMYVXQNKH-GFCCVEGCSA-N 2 2 299.415 0.470 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+]CCCCO)CC1 ZINC000361138220 138022872 /nfs/dbraw/zinc/02/28/72/138022872.db2.gz CLKFUBZHPLAUMR-UHFFFAOYSA-N 2 2 272.389 0.766 20 0 CCADLP OC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000361138795 138022890 /nfs/dbraw/zinc/02/28/90/138022890.db2.gz CVDDATUFDKGOCL-ZYHUDNBSSA-N 2 2 279.365 0.861 20 0 CCADLP OC[C@H]1C[C@@H](O)C[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000361138795 138022891 /nfs/dbraw/zinc/02/28/91/138022891.db2.gz CVDDATUFDKGOCL-ZYHUDNBSSA-N 2 2 279.365 0.861 20 0 CCADLP COC[C@H](CO)[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000361134771 138023039 /nfs/dbraw/zinc/02/30/39/138023039.db2.gz ACEFFCRDZWJTNM-ZDUSSCGKSA-N 2 2 288.388 0.001 20 0 CCADLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3cncnc3)CC2)C1 ZINC000362376649 138056771 /nfs/dbraw/zinc/05/67/71/138056771.db2.gz QCCRCXKTMMYPDW-HNNXBMFYSA-N 2 2 275.400 0.688 20 0 CCADLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3cncnc3)CC2)C1 ZINC000362376649 138056772 /nfs/dbraw/zinc/05/67/72/138056772.db2.gz QCCRCXKTMMYPDW-HNNXBMFYSA-N 2 2 275.400 0.688 20 0 CCADLP C[NH+]1CCN(CCNC(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000362516340 138062325 /nfs/dbraw/zinc/06/23/25/138062325.db2.gz OPZHEUWVVBWXKQ-CYBMUJFWSA-N 2 2 291.399 0.124 20 0 CCADLP CCCCOCC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362841275 138076503 /nfs/dbraw/zinc/07/65/03/138076503.db2.gz VUJLXDOVKFBGIT-CQSZACIVSA-N 2 2 283.416 0.699 20 0 CCADLP CCCCOCC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362841275 138076504 /nfs/dbraw/zinc/07/65/04/138076504.db2.gz VUJLXDOVKFBGIT-CQSZACIVSA-N 2 2 283.416 0.699 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000363089012 138084977 /nfs/dbraw/zinc/08/49/77/138084977.db2.gz WCIJHUNCKKNPCU-GFCCVEGCSA-N 2 2 277.372 0.800 20 0 CCADLP CCNC(=O)C1(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CCC1 ZINC000363002623 138084035 /nfs/dbraw/zinc/08/40/35/138084035.db2.gz WWPZDXSEITYIIX-VXGBXAGGSA-N 2 2 253.390 0.833 20 0 CCADLP CCNC(=O)C1(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CCC1 ZINC000363002623 138084036 /nfs/dbraw/zinc/08/40/36/138084036.db2.gz WWPZDXSEITYIIX-VXGBXAGGSA-N 2 2 253.390 0.833 20 0 CCADLP CCN(C)C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000363520577 138090798 /nfs/dbraw/zinc/09/07/98/138090798.db2.gz SIRAWCVKCYABPH-AWEZNQCLSA-N 2 2 283.416 0.509 20 0 CCADLP CCN(C)C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000363520577 138090799 /nfs/dbraw/zinc/09/07/99/138090799.db2.gz SIRAWCVKCYABPH-AWEZNQCLSA-N 2 2 283.416 0.509 20 0 CCADLP Cc1ccc(CCC[NH2+]CC2(CO)COC2)c[nH+]1 ZINC000354584861 356445107 /nfs/dbraw/zinc/44/51/07/356445107.db2.gz MAWIMNKSNOETMB-UHFFFAOYSA-N 2 2 250.342 0.921 20 0 CCADLP CCNC(=O)C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355026621 356553049 /nfs/dbraw/zinc/55/30/49/356553049.db2.gz APNPIARPAOGFDM-ZDUSSCGKSA-N 2 2 282.432 0.223 20 0 CCADLP CCNC(=O)C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355026621 356553051 /nfs/dbraw/zinc/55/30/51/356553051.db2.gz APNPIARPAOGFDM-ZDUSSCGKSA-N 2 2 282.432 0.223 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[NH+]1CCCCC1 ZINC000071925379 295929113 /nfs/dbraw/zinc/92/91/13/295929113.db2.gz GNKWDEORPPBQTD-AWEZNQCLSA-N 2 2 298.431 0.492 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000355185598 356601880 /nfs/dbraw/zinc/60/18/80/356601880.db2.gz WPAGPAARKVFUEQ-LSDHHAIUSA-N 2 2 294.443 0.367 20 0 CCADLP C[N@H+]1CCCC[C@H]1CCC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000355185598 356601882 /nfs/dbraw/zinc/60/18/82/356601882.db2.gz WPAGPAARKVFUEQ-LSDHHAIUSA-N 2 2 294.443 0.367 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000355701268 356630943 /nfs/dbraw/zinc/63/09/43/356630943.db2.gz HKKGKKRGHCQGHJ-YNEHKIRRSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@H]1CCC[N@H+]1C)[NH+]1CCOCC1 ZINC000355701268 356630947 /nfs/dbraw/zinc/63/09/47/356630947.db2.gz HKKGKKRGHCQGHJ-YNEHKIRRSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CC[NH+]1CCOCC1 ZINC000355407192 356625503 /nfs/dbraw/zinc/62/55/03/356625503.db2.gz GQFTZAQWSPXKEK-OKILXGFUSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CC[NH+]1CCOCC1 ZINC000355407192 356625506 /nfs/dbraw/zinc/62/55/06/356625506.db2.gz GQFTZAQWSPXKEK-OKILXGFUSA-N 2 2 283.416 0.650 20 0 CCADLP C[N@@H+]1CCN(C(=O)Nc2ccc(F)cn2)[C@H](C[NH3+])C1 ZINC000561017734 291115479 /nfs/dbraw/zinc/11/54/79/291115479.db2.gz CHAOGYTWFJGVJT-SNVBAGLBSA-N 2 2 267.308 0.327 20 0 CCADLP C[N@H+]1CCN(C(=O)Nc2ccc(F)cn2)[C@H](C[NH3+])C1 ZINC000561017734 291115480 /nfs/dbraw/zinc/11/54/80/291115480.db2.gz CHAOGYTWFJGVJT-SNVBAGLBSA-N 2 2 267.308 0.327 20 0 CCADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000356626048 356765147 /nfs/dbraw/zinc/76/51/47/356765147.db2.gz IRRULEIPEQLCOC-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000356626048 356765151 /nfs/dbraw/zinc/76/51/51/356765151.db2.gz IRRULEIPEQLCOC-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359294151 356796145 /nfs/dbraw/zinc/79/61/45/356796145.db2.gz BBNLVLJZVLKVBZ-BETUJISGSA-N 2 2 269.389 0.071 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359294151 356796150 /nfs/dbraw/zinc/79/61/50/356796150.db2.gz BBNLVLJZVLKVBZ-BETUJISGSA-N 2 2 269.389 0.071 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359297721 356796779 /nfs/dbraw/zinc/79/67/79/356796779.db2.gz DOBATXNDCSOASK-SRVKXCTJSA-N 2 2 282.388 0.008 20 0 CCADLP CCS(=O)(=O)NCC[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000359303873 356798021 /nfs/dbraw/zinc/79/80/21/356798021.db2.gz JULATOLHPLKVQK-UHFFFAOYSA-N 2 2 299.440 0.777 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000359303873 356798023 /nfs/dbraw/zinc/79/80/23/356798023.db2.gz JULATOLHPLKVQK-UHFFFAOYSA-N 2 2 299.440 0.777 20 0 CCADLP C[C@H](C(=O)NCc1ccccc1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359317748 356802261 /nfs/dbraw/zinc/80/22/61/356802261.db2.gz YCULIFXPBLSFSJ-SNPRPXQTSA-N 2 2 273.380 0.843 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NCC[NH+]2CCSCC2)no1 ZINC000359363654 356809258 /nfs/dbraw/zinc/80/92/58/356809258.db2.gz SHHSIPALWXSVAB-UHFFFAOYSA-N 2 2 298.412 0.515 20 0 CCADLP COC(=O)c1coc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000359461309 356825940 /nfs/dbraw/zinc/82/59/40/356825940.db2.gz UNWKFIBEZAOGAE-QWRGUYRKSA-N 2 2 250.298 0.717 20 0 CCADLP COCCn1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000359477122 356828635 /nfs/dbraw/zinc/82/86/35/356828635.db2.gz VMTPDCYQRGXCLN-STQMWFEESA-N 2 2 250.346 0.181 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)no1 ZINC000359508241 356835304 /nfs/dbraw/zinc/83/53/04/356835304.db2.gz CHKWYAKMHILRJT-BXUZGUMPSA-N 2 2 292.383 0.902 20 0 CCADLP C[C@@H](CN1CCOCC1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655690507 412645744 /nfs/dbraw/zinc/64/57/44/412645744.db2.gz BSQJBHQEKSBYEV-GOEBONIOSA-N 2 2 297.443 0.550 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000532763159 358513035 /nfs/dbraw/zinc/51/30/35/358513035.db2.gz FPHMUCOXRCKDPK-NWDGAFQWSA-N 2 2 273.340 0.847 20 0 CCADLP CCNC(=O)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655682877 412646326 /nfs/dbraw/zinc/64/63/26/412646326.db2.gz MQIYTJYLHWDGDQ-CYBMUJFWSA-N 2 2 269.389 0.356 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCOCC3(CC3)C2)CC1 ZINC000360097446 356946565 /nfs/dbraw/zinc/94/65/65/356946565.db2.gz JZLMGEVEHFGTCA-AWEZNQCLSA-N 2 2 295.427 0.651 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCOCC3(CC3)C2)CC1 ZINC000360097446 356946570 /nfs/dbraw/zinc/94/65/70/356946570.db2.gz JZLMGEVEHFGTCA-AWEZNQCLSA-N 2 2 295.427 0.651 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)C2([NH+]3CCOCC3)CCC2)CC[N@H+]1C ZINC000360543295 357037337 /nfs/dbraw/zinc/03/73/37/357037337.db2.gz AVEIVABRSCRZGB-KGLIPLIRSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)C2([NH+]3CCOCC3)CCC2)CC[N@@H+]1C ZINC000360543295 357037338 /nfs/dbraw/zinc/03/73/38/357037338.db2.gz AVEIVABRSCRZGB-KGLIPLIRSA-N 2 2 295.427 0.792 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360549250 357038968 /nfs/dbraw/zinc/03/89/68/357038968.db2.gz DZTLGYRQVOUHRT-HNNXBMFYSA-N 2 2 283.416 0.605 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360549250 357038974 /nfs/dbraw/zinc/03/89/74/357038974.db2.gz DZTLGYRQVOUHRT-HNNXBMFYSA-N 2 2 283.416 0.605 20 0 CCADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC(=O)NC(N)=O)C1 ZINC000364067206 357083141 /nfs/dbraw/zinc/08/31/41/357083141.db2.gz TXWBWNJOBGTGJF-OLZOCXBDSA-N 2 2 296.415 0.768 20 0 CCADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC(=O)NC(N)=O)C1 ZINC000364067206 357083143 /nfs/dbraw/zinc/08/31/43/357083143.db2.gz TXWBWNJOBGTGJF-OLZOCXBDSA-N 2 2 296.415 0.768 20 0 CCADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC000364067206 357083146 /nfs/dbraw/zinc/08/31/46/357083146.db2.gz TXWBWNJOBGTGJF-OLZOCXBDSA-N 2 2 296.415 0.768 20 0 CCADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000364067206 357083147 /nfs/dbraw/zinc/08/31/47/357083147.db2.gz TXWBWNJOBGTGJF-OLZOCXBDSA-N 2 2 296.415 0.768 20 0 CCADLP CCN(CCO)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364232360 357100258 /nfs/dbraw/zinc/10/02/58/357100258.db2.gz YPILIUOCURSOEM-ZDUSSCGKSA-N 2 2 298.431 0.179 20 0 CCADLP CCN(CCO)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364232360 357100259 /nfs/dbraw/zinc/10/02/59/357100259.db2.gz YPILIUOCURSOEM-ZDUSSCGKSA-N 2 2 298.431 0.179 20 0 CCADLP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365404149 357150018 /nfs/dbraw/zinc/15/00/18/357150018.db2.gz OVEUSGUNZCRRTP-GFCCVEGCSA-N 2 2 285.388 0.082 20 0 CCADLP COC(=O)CCNC(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365404149 357150021 /nfs/dbraw/zinc/15/00/21/357150021.db2.gz OVEUSGUNZCRRTP-GFCCVEGCSA-N 2 2 285.388 0.082 20 0 CCADLP O=C(N1CC[C@@H]([NH+]2CCOCC2)C1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000366637655 357228209 /nfs/dbraw/zinc/22/82/09/357228209.db2.gz YSXKBTNZGSVXCP-IIAWOOMASA-N 2 2 293.411 0.309 20 0 CCADLP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)NCC3CCC3)C2)C1 ZINC000367849378 357285201 /nfs/dbraw/zinc/28/52/01/357285201.db2.gz XTIHRRXVGWJQDX-OAHLLOKOSA-N 2 2 265.401 0.930 20 0 CCADLP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)NCC3CCC3)C2)C1 ZINC000367849378 357285206 /nfs/dbraw/zinc/28/52/06/357285206.db2.gz XTIHRRXVGWJQDX-OAHLLOKOSA-N 2 2 265.401 0.930 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)NCC3CCC3)C2)C1 ZINC000367849378 357285213 /nfs/dbraw/zinc/28/52/13/357285213.db2.gz XTIHRRXVGWJQDX-OAHLLOKOSA-N 2 2 265.401 0.930 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)NCC3CCC3)C2)C1 ZINC000367849378 357285219 /nfs/dbraw/zinc/28/52/19/357285219.db2.gz XTIHRRXVGWJQDX-OAHLLOKOSA-N 2 2 265.401 0.930 20 0 CCADLP CCO[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369266209 357342171 /nfs/dbraw/zinc/34/21/71/357342171.db2.gz KPWSAFBRPZZCPU-NWANDNLSSA-N 2 2 295.427 0.696 20 0 CCADLP CCO[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369266209 357342173 /nfs/dbraw/zinc/34/21/73/357342173.db2.gz KPWSAFBRPZZCPU-NWANDNLSSA-N 2 2 295.427 0.696 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000376092726 357430980 /nfs/dbraw/zinc/43/09/80/357430980.db2.gz AQEQXUGDZKJDJN-NEPJUHHUSA-N 2 2 284.404 0.637 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000376092726 357430986 /nfs/dbraw/zinc/43/09/86/357430986.db2.gz AQEQXUGDZKJDJN-NEPJUHHUSA-N 2 2 284.404 0.637 20 0 CCADLP O=C1NCCN1CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000377309963 357564355 /nfs/dbraw/zinc/56/43/55/357564355.db2.gz LBCIRJMOLKLRCI-UHFFFAOYSA-N 2 2 263.345 0.614 20 0 CCADLP CN(C(=O)[C@H]1CCOC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377638326 357598472 /nfs/dbraw/zinc/59/84/72/357598472.db2.gz BPSKGXBJAOIRAS-DZGCQCFKSA-N 2 2 295.427 0.650 20 0 CCADLP CN(C(=O)[C@H]1CCOC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377638326 357598474 /nfs/dbraw/zinc/59/84/74/357598474.db2.gz BPSKGXBJAOIRAS-DZGCQCFKSA-N 2 2 295.427 0.650 20 0 CCADLP CN(C(=O)[C@H]1CCOC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377638329 357598761 /nfs/dbraw/zinc/59/87/61/357598761.db2.gz BPSKGXBJAOIRAS-ZFWWWQNUSA-N 2 2 295.427 0.650 20 0 CCADLP CN(C(=O)[C@H]1CCOC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377638329 357598763 /nfs/dbraw/zinc/59/87/63/357598763.db2.gz BPSKGXBJAOIRAS-ZFWWWQNUSA-N 2 2 295.427 0.650 20 0 CCADLP CCO[C@@H]1COC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655773705 412657547 /nfs/dbraw/zinc/65/75/47/412657547.db2.gz DDIOGEYQVSCMNF-RBSFLKMASA-N 2 2 284.400 0.633 20 0 CCADLP COc1nccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)n1 ZINC000655771937 412657562 /nfs/dbraw/zinc/65/75/62/412657562.db2.gz RNNQQFSXZFMVOI-AWEZNQCLSA-N 2 2 292.383 0.828 20 0 CCADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000377702162 357605910 /nfs/dbraw/zinc/60/59/10/357605910.db2.gz PIQWOMWMIIVYSG-GJZGRUSLSA-N 2 2 289.379 0.912 20 0 CCADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000377702162 357605912 /nfs/dbraw/zinc/60/59/12/357605912.db2.gz PIQWOMWMIIVYSG-GJZGRUSLSA-N 2 2 289.379 0.912 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@](C)(COC)C1 ZINC000381480381 357710480 /nfs/dbraw/zinc/71/04/80/357710480.db2.gz NNXPMHWXJHANCZ-UONOGXRCSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@](C)(COC)C1 ZINC000381480381 357710485 /nfs/dbraw/zinc/71/04/85/357710485.db2.gz NNXPMHWXJHANCZ-UONOGXRCSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@](C)(COC)C1 ZINC000381480381 357710489 /nfs/dbraw/zinc/71/04/89/357710489.db2.gz NNXPMHWXJHANCZ-UONOGXRCSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@](C)(COC)C1 ZINC000381480381 357710494 /nfs/dbraw/zinc/71/04/94/357710494.db2.gz NNXPMHWXJHANCZ-UONOGXRCSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1CCO ZINC000382262818 357711561 /nfs/dbraw/zinc/71/15/61/357711561.db2.gz AHKBKRWLUYQEKE-KGLIPLIRSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1CCO ZINC000382262818 357711564 /nfs/dbraw/zinc/71/15/64/357711564.db2.gz AHKBKRWLUYQEKE-KGLIPLIRSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1CCO ZINC000382262818 357711569 /nfs/dbraw/zinc/71/15/69/357711569.db2.gz AHKBKRWLUYQEKE-KGLIPLIRSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1CCO ZINC000382262818 357711574 /nfs/dbraw/zinc/71/15/74/357711574.db2.gz AHKBKRWLUYQEKE-KGLIPLIRSA-N 2 2 274.405 0.162 20 0 CCADLP Cc1ncc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)s1 ZINC000383484415 357716039 /nfs/dbraw/zinc/71/60/39/357716039.db2.gz BFOBOBRKEOLHBW-LLVKDONJSA-N 2 2 255.387 0.996 20 0 CCADLP Cc1ncc(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)s1 ZINC000383484415 357716041 /nfs/dbraw/zinc/71/60/41/357716041.db2.gz BFOBOBRKEOLHBW-LLVKDONJSA-N 2 2 255.387 0.996 20 0 CCADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2ccccn2)CC1 ZINC000378431335 357680093 /nfs/dbraw/zinc/68/00/93/357680093.db2.gz PBLPNZUTSTZIJZ-UHFFFAOYSA-N 2 2 291.395 0.741 20 0 CCADLP O=C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)Nc1nccs1 ZINC000380296953 357703328 /nfs/dbraw/zinc/70/33/28/357703328.db2.gz FMRKFZKKTQGWAN-NSHDSACASA-N 2 2 295.412 0.061 20 0 CCADLP O=C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)Nc1nccs1 ZINC000380296953 357703331 /nfs/dbraw/zinc/70/33/31/357703331.db2.gz FMRKFZKKTQGWAN-NSHDSACASA-N 2 2 295.412 0.061 20 0 CCADLP CN(C)C(=O)C[NH+]1CCC([NH2+]Cc2ccc(=O)[nH]c2)CC1 ZINC000392813660 357749003 /nfs/dbraw/zinc/74/90/03/357749003.db2.gz YYSYCDPUDMJEOW-UHFFFAOYSA-N 2 2 292.383 0.429 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(F)(F)[C@H](CO)C1 ZINC000403948799 357811531 /nfs/dbraw/zinc/81/15/31/357811531.db2.gz DBTRFKREISITCG-QWRGUYRKSA-N 2 2 266.332 0.249 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(F)(F)[C@H](CO)C1 ZINC000403948799 357811535 /nfs/dbraw/zinc/81/15/35/357811535.db2.gz DBTRFKREISITCG-QWRGUYRKSA-N 2 2 266.332 0.249 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000403948799 357811536 /nfs/dbraw/zinc/81/15/36/357811536.db2.gz DBTRFKREISITCG-QWRGUYRKSA-N 2 2 266.332 0.249 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000403948799 357811539 /nfs/dbraw/zinc/81/15/39/357811539.db2.gz DBTRFKREISITCG-QWRGUYRKSA-N 2 2 266.332 0.249 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCN2CCCC2=O)C[N@@H+]1C1CC1 ZINC000405514039 357826852 /nfs/dbraw/zinc/82/68/52/357826852.db2.gz ZQBOMXTZPRMABH-RYUDHWBXSA-N 2 2 251.374 0.824 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCN2CCCC2=O)C[N@H+]1C1CC1 ZINC000405514039 357826856 /nfs/dbraw/zinc/82/68/56/357826856.db2.gz ZQBOMXTZPRMABH-RYUDHWBXSA-N 2 2 251.374 0.824 20 0 CCADLP COC[C@@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000452031228 236213428 /nfs/dbraw/zinc/21/34/28/236213428.db2.gz RAQNYHWRUSZNAR-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP COC[C@@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000452031228 236213429 /nfs/dbraw/zinc/21/34/29/236213429.db2.gz RAQNYHWRUSZNAR-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[C@H]3CC[N@H+](C)C[C@@H]32)nc[nH+]1 ZINC000294594513 199100296 /nfs/dbraw/zinc/10/02/96/199100296.db2.gz ZMEYRWBBWABGEM-XQQFMLRXSA-N 2 2 291.399 0.800 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)nc[nH+]1 ZINC000294594513 199100297 /nfs/dbraw/zinc/10/02/97/199100297.db2.gz ZMEYRWBBWABGEM-XQQFMLRXSA-N 2 2 291.399 0.800 20 0 CCADLP CNC(=O)C[C@H](C)[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000346772210 283335913 /nfs/dbraw/zinc/33/59/13/283335913.db2.gz NXGDUPQUPPXWOW-STQMWFEESA-N 2 2 271.405 0.457 20 0 CCADLP CNC(=O)C[C@H](C)[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000346772210 283335915 /nfs/dbraw/zinc/33/59/15/283335915.db2.gz NXGDUPQUPPXWOW-STQMWFEESA-N 2 2 271.405 0.457 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000420278184 358178970 /nfs/dbraw/zinc/17/89/70/358178970.db2.gz UYDWTPAUJRRCFM-KBPBESRZSA-N 3 2 282.432 0.352 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000420278184 358178973 /nfs/dbraw/zinc/17/89/73/358178973.db2.gz UYDWTPAUJRRCFM-KBPBESRZSA-N 3 2 282.432 0.352 20 0 CCADLP O=C1NCC[N@H+](CCN2CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000420296299 358179139 /nfs/dbraw/zinc/17/91/39/358179139.db2.gz DELFSGWGVZHQRM-HNNXBMFYSA-N 2 2 288.395 0.065 20 0 CCADLP O=C1NCC[N@@H+](CCN2CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000420296299 358179144 /nfs/dbraw/zinc/17/91/44/358179144.db2.gz DELFSGWGVZHQRM-HNNXBMFYSA-N 2 2 288.395 0.065 20 0 CCADLP C[C@@H](C(=O)NCC1CCCCC1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420350230 358179689 /nfs/dbraw/zinc/17/96/89/358179689.db2.gz GCNKGQPJNSBTQR-AAEUAGOBSA-N 2 2 271.405 0.323 20 0 CCADLP C[C@@H](C(=O)NCC1CCCCC1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420350230 358179694 /nfs/dbraw/zinc/17/96/94/358179694.db2.gz GCNKGQPJNSBTQR-AAEUAGOBSA-N 2 2 271.405 0.323 20 0 CCADLP C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420351482 358179761 /nfs/dbraw/zinc/17/97/61/358179761.db2.gz KGCKHBBMNLKMIE-AAEUAGOBSA-N 2 2 271.405 0.417 20 0 CCADLP C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420351482 358179764 /nfs/dbraw/zinc/17/97/64/358179764.db2.gz KGCKHBBMNLKMIE-AAEUAGOBSA-N 2 2 271.405 0.417 20 0 CCADLP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420352037 358180625 /nfs/dbraw/zinc/18/06/25/358180625.db2.gz LPICFHKCTPYNBO-GJZGRUSLSA-N 2 2 293.411 0.848 20 0 CCADLP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420352037 358180629 /nfs/dbraw/zinc/18/06/29/358180629.db2.gz LPICFHKCTPYNBO-GJZGRUSLSA-N 2 2 293.411 0.848 20 0 CCADLP C[NH2+][C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000422705494 358191866 /nfs/dbraw/zinc/19/18/66/358191866.db2.gz CFPDHXOJYPRLPG-TZMCWYRMSA-N 2 2 281.400 0.450 20 0 CCADLP C[NH2+][C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000422705494 358191872 /nfs/dbraw/zinc/19/18/72/358191872.db2.gz CFPDHXOJYPRLPG-TZMCWYRMSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@H](C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)CN1CCOCC1 ZINC000422774047 358192666 /nfs/dbraw/zinc/19/26/66/358192666.db2.gz ZVRXSCKEXXPROO-BMFZPTHFSA-N 2 2 297.443 0.311 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423386211 358199742 /nfs/dbraw/zinc/19/97/42/358199742.db2.gz JCRNFSWABGXJOZ-IJLUTSLNSA-N 3 2 294.365 0.410 20 0 CCADLP C[C@@H](C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000424013333 358208018 /nfs/dbraw/zinc/20/80/18/358208018.db2.gz KNYQPPJRCQKUOU-FRRDWIJNSA-N 2 2 269.389 0.150 20 0 CCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1nccs1 ZINC000424335962 358210680 /nfs/dbraw/zinc/21/06/80/358210680.db2.gz PUZLHMJOWQMKSO-RKDXNWHRSA-N 2 2 254.359 0.941 20 0 CCADLP O=C1O[C@@]2(CN1C[N@@H+]1CCCOCC1)C[NH+]1CCC2CC1 ZINC000496443041 358323870 /nfs/dbraw/zinc/32/38/70/358323870.db2.gz ZXWXDKAAICWVMO-OAHLLOKOSA-N 2 2 295.383 0.583 20 0 CCADLP O=C1O[C@@]2(CN1C[N@H+]1CCCOCC1)C[NH+]1CCC2CC1 ZINC000496443041 358323875 /nfs/dbraw/zinc/32/38/75/358323875.db2.gz ZXWXDKAAICWVMO-OAHLLOKOSA-N 2 2 295.383 0.583 20 0 CCADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]CC1(O)CCCC1 ZINC000516291035 358339394 /nfs/dbraw/zinc/33/93/94/358339394.db2.gz GNZBQDIXFMREHX-CYBMUJFWSA-N 2 2 256.390 0.728 20 0 CCADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]CC1(O)CCCC1 ZINC000516291035 358339399 /nfs/dbraw/zinc/33/93/99/358339399.db2.gz GNZBQDIXFMREHX-CYBMUJFWSA-N 2 2 256.390 0.728 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000531056572 358438420 /nfs/dbraw/zinc/43/84/20/358438420.db2.gz TVUHJYBXXQZEIN-MGPQQGTHSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000531056572 358438424 /nfs/dbraw/zinc/43/84/24/358438424.db2.gz TVUHJYBXXQZEIN-MGPQQGTHSA-N 2 2 283.416 0.696 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000533563054 358543362 /nfs/dbraw/zinc/54/33/62/358543362.db2.gz GBLYABZIGHLEBR-AWEZNQCLSA-N 2 2 262.357 0.965 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000533563054 358543365 /nfs/dbraw/zinc/54/33/65/358543365.db2.gz GBLYABZIGHLEBR-AWEZNQCLSA-N 2 2 262.357 0.965 20 0 CCADLP C[NH+](C)C[C@](C)(O)CNC(=O)NCCCCn1cc[nH+]c1 ZINC000533107170 358526666 /nfs/dbraw/zinc/52/66/66/358526666.db2.gz RUENLVIBNPYIBX-CQSZACIVSA-N 2 2 297.403 0.275 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCCc2nccs2)[C@H](C[NH3+])C1 ZINC000567892517 358607465 /nfs/dbraw/zinc/60/74/65/358607465.db2.gz JNMYCWXCZOPLON-LLVKDONJSA-N 2 2 282.413 0.567 20 0 CCADLP C[N@H+]1CCN(C(=O)CCCc2nccs2)[C@H](C[NH3+])C1 ZINC000567892517 358607469 /nfs/dbraw/zinc/60/74/69/358607469.db2.gz JNMYCWXCZOPLON-LLVKDONJSA-N 2 2 282.413 0.567 20 0 CCADLP CN(Cc1cnn(C)c1)C(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000567990365 358622630 /nfs/dbraw/zinc/62/26/30/358622630.db2.gz XHGYJOOVKVIGPX-GFCCVEGCSA-N 2 2 281.404 0.342 20 0 CCADLP CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000568166536 358638386 /nfs/dbraw/zinc/63/83/86/358638386.db2.gz NBPXSFGFKIPEMO-NEPJUHHUSA-N 2 2 279.388 0.835 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000568409645 358673354 /nfs/dbraw/zinc/67/33/54/358673354.db2.gz NTVXKSTZRVTEBT-UTUOFQBUSA-N 2 2 262.357 0.608 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000568409645 358673358 /nfs/dbraw/zinc/67/33/58/358673358.db2.gz NTVXKSTZRVTEBT-UTUOFQBUSA-N 2 2 262.357 0.608 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000568409645 358673360 /nfs/dbraw/zinc/67/33/60/358673360.db2.gz NTVXKSTZRVTEBT-UTUOFQBUSA-N 2 2 262.357 0.608 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000568409645 358673364 /nfs/dbraw/zinc/67/33/64/358673364.db2.gz NTVXKSTZRVTEBT-UTUOFQBUSA-N 2 2 262.357 0.608 20 0 CCADLP CC(C)NC(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000568461710 358676244 /nfs/dbraw/zinc/67/62/44/358676244.db2.gz NCSIPOOINXGXSZ-UHFFFAOYSA-N 2 2 251.334 0.056 20 0 CCADLP COc1c(N)[nH+]cnc1N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000568664262 358696430 /nfs/dbraw/zinc/69/64/30/358696430.db2.gz OUCPOQQBFZMQFZ-JTQLQIEISA-N 2 2 280.376 0.115 20 0 CCADLP CC[C@H](O)C[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000569229987 358744477 /nfs/dbraw/zinc/74/44/77/358744477.db2.gz SFJAEUPHZWEAGS-INIZCTEOSA-N 3 2 292.427 0.954 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@H](O)Cc1cccc(F)c1)C1CC1 ZINC000568983436 358721605 /nfs/dbraw/zinc/72/16/05/358721605.db2.gz JSIZWFCFYALCTF-CVEARBPZSA-N 2 2 296.386 0.774 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H](O)Cc1cccc(F)c1)C1CC1 ZINC000568983436 358721607 /nfs/dbraw/zinc/72/16/07/358721607.db2.gz JSIZWFCFYALCTF-CVEARBPZSA-N 2 2 296.386 0.774 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)s1 ZINC000562630575 291160828 /nfs/dbraw/zinc/16/08/28/291160828.db2.gz LTVSNZBOSKJYNO-JTQLQIEISA-N 2 2 297.428 0.661 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](C)CC1(C)C)[NH+]1CC(C)C1 ZINC000569620786 358781007 /nfs/dbraw/zinc/78/10/07/358781007.db2.gz FSHFLFHAYKVGKQ-LBPRGKRZSA-N 2 2 253.390 0.879 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](C)CC1(C)C)[NH+]1CC(C)C1 ZINC000569620786 358781009 /nfs/dbraw/zinc/78/10/09/358781009.db2.gz FSHFLFHAYKVGKQ-LBPRGKRZSA-N 2 2 253.390 0.879 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@H+](CCOc3ccccc3)CCN2C1=O ZINC000569710099 358788019 /nfs/dbraw/zinc/78/80/19/358788019.db2.gz MTPCOZLYGKLEPG-OCCSQVGLSA-N 2 2 275.352 0.309 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCOc3ccccc3)CCN2C1=O ZINC000569710099 358788022 /nfs/dbraw/zinc/78/80/22/358788022.db2.gz MTPCOZLYGKLEPG-OCCSQVGLSA-N 2 2 275.352 0.309 20 0 CCADLP CC(C)CC[C@@H](O)C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000569921506 358805013 /nfs/dbraw/zinc/80/50/13/358805013.db2.gz VMGGZIWSHSXYHJ-ZIAGYGMSSA-N 2 2 257.422 0.619 20 0 CCADLP CC(C)CC[C@@H](O)C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000569921506 358805017 /nfs/dbraw/zinc/80/50/17/358805017.db2.gz VMGGZIWSHSXYHJ-ZIAGYGMSSA-N 2 2 257.422 0.619 20 0 CCADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CCCC[NH3+])C1 ZINC000569925677 358805963 /nfs/dbraw/zinc/80/59/63/358805963.db2.gz QGWPUCDOFWAPEC-LBPRGKRZSA-N 2 2 285.388 0.117 20 0 CCADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CCCC[NH3+])C1 ZINC000569925677 358805964 /nfs/dbraw/zinc/80/59/64/358805964.db2.gz QGWPUCDOFWAPEC-LBPRGKRZSA-N 2 2 285.388 0.117 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000569939073 358808297 /nfs/dbraw/zinc/80/82/97/358808297.db2.gz HYUSMTSNBYOTCI-GXTWGEPZSA-N 2 2 294.399 0.503 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000569939073 358808300 /nfs/dbraw/zinc/80/83/00/358808300.db2.gz HYUSMTSNBYOTCI-GXTWGEPZSA-N 2 2 294.399 0.503 20 0 CCADLP C[NH2+][C@@H](C)C(=O)Nc1ccc(-c2nnc(C[NH3+])[nH]2)cc1 ZINC000570411027 358854802 /nfs/dbraw/zinc/85/48/02/358854802.db2.gz LHRNTCACHNKKEF-QMMMGPOBSA-N 2 2 274.328 0.477 20 0 CCADLP O=C(NCC[NH+]1CCC1)c1cnn(-c2cc[nH+]cc2)c1 ZINC000571154762 358916440 /nfs/dbraw/zinc/91/64/40/358916440.db2.gz NEWOBGSDFXWPNL-UHFFFAOYSA-N 2 2 271.324 0.703 20 0 CCADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)[C@@H]1OC ZINC000570626938 358875463 /nfs/dbraw/zinc/87/54/63/358875463.db2.gz OIVNVLPNLLOARB-FQUUOJAGSA-N 2 2 272.389 0.224 20 0 CCADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)[C@@H]1OC ZINC000570626938 358875466 /nfs/dbraw/zinc/87/54/66/358875466.db2.gz OIVNVLPNLLOARB-FQUUOJAGSA-N 2 2 272.389 0.224 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])c2cscn2)C[N@@H+]1C1CC1 ZINC000570716880 358887952 /nfs/dbraw/zinc/88/79/52/358887952.db2.gz XHZGSPCLXRARFZ-VDDIYKPWSA-N 2 2 280.397 0.884 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000570763487 358891349 /nfs/dbraw/zinc/89/13/49/358891349.db2.gz ORPONWRHTKTNMT-GJZGRUSLSA-N 2 2 297.443 0.537 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000570763487 358891351 /nfs/dbraw/zinc/89/13/51/358891351.db2.gz ORPONWRHTKTNMT-GJZGRUSLSA-N 2 2 297.443 0.537 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000570763487 358891353 /nfs/dbraw/zinc/89/13/53/358891353.db2.gz ORPONWRHTKTNMT-GJZGRUSLSA-N 2 2 297.443 0.537 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000570763487 358891354 /nfs/dbraw/zinc/89/13/54/358891354.db2.gz ORPONWRHTKTNMT-GJZGRUSLSA-N 2 2 297.443 0.537 20 0 CCADLP Cn1cc[nH+]c1[C@H](NC[C@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000571040921 358906182 /nfs/dbraw/zinc/90/61/82/358906182.db2.gz UMXHQBSXAAJNCS-UONOGXRCSA-N 2 2 278.400 0.916 20 0 CCADLP Cn1cc[nH+]c1[C@H](NC[C@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000571040921 358906185 /nfs/dbraw/zinc/90/61/85/358906185.db2.gz UMXHQBSXAAJNCS-UONOGXRCSA-N 2 2 278.400 0.916 20 0 CCADLP CO[C@@H]1CC[N@H+](CCCc2nc(C)no2)[C@@H](C[NH3+])C1 ZINC000573370824 358960779 /nfs/dbraw/zinc/96/07/79/358960779.db2.gz MVEPEWVJYBFVTH-VXGBXAGGSA-N 2 2 268.361 0.749 20 0 CCADLP CO[C@@H]1CC[N@@H+](CCCc2nc(C)no2)[C@@H](C[NH3+])C1 ZINC000573370824 358960782 /nfs/dbraw/zinc/96/07/82/358960782.db2.gz MVEPEWVJYBFVTH-VXGBXAGGSA-N 2 2 268.361 0.749 20 0 CCADLP CC(C)([NH3+])c1noc(C[NH2+]C2(CO)CCCC2)n1 ZINC000573379289 358962162 /nfs/dbraw/zinc/96/21/62/358962162.db2.gz BDNRBONUHJHXJC-UHFFFAOYSA-N 2 2 254.334 0.658 20 0 CCADLP COc1nccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)n1 ZINC000573564412 358979001 /nfs/dbraw/zinc/97/90/01/358979001.db2.gz HTCNHMHZCDXHEW-MCIONIFRSA-N 2 2 292.383 0.732 20 0 CCADLP COc1cccnc1C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000573454637 358968213 /nfs/dbraw/zinc/96/82/13/358968213.db2.gz ULNRMMCSWFGHAX-NEPJUHHUSA-N 2 2 265.357 0.947 20 0 CCADLP CC[C@@]1(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CCC[NH2+]1 ZINC000573092593 358937108 /nfs/dbraw/zinc/93/71/08/358937108.db2.gz CGMHSRWXCITRJW-OCCSQVGLSA-N 2 2 269.389 0.356 20 0 CCADLP CC[C@@]1(C(=O)NCC[N@H+]2CCO[C@H](C)C2)CCC[NH2+]1 ZINC000573092593 358937110 /nfs/dbraw/zinc/93/71/10/358937110.db2.gz CGMHSRWXCITRJW-OCCSQVGLSA-N 2 2 269.389 0.356 20 0 CCADLP C[C@@H]1CSC[C@@H]1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000573190368 358946042 /nfs/dbraw/zinc/94/60/42/358946042.db2.gz RPKAQRJLULRGNX-MXWKQRLJSA-N 2 2 272.418 0.022 20 0 CCADLP C[C@@H]1CSC[C@@H]1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000573190368 358946046 /nfs/dbraw/zinc/94/60/46/358946046.db2.gz RPKAQRJLULRGNX-MXWKQRLJSA-N 2 2 272.418 0.022 20 0 CCADLP Cc1cccc2[nH+]c(CN3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)cn21 ZINC000573220464 358949751 /nfs/dbraw/zinc/94/97/51/358949751.db2.gz ANUKXJZNWINISR-ZIAGYGMSSA-N 2 2 299.378 0.387 20 0 CCADLP CS[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH+](C)C ZINC000573634958 358985975 /nfs/dbraw/zinc/98/59/75/358985975.db2.gz CMRAJOBXROREEQ-VXGBXAGGSA-N 2 2 282.413 0.467 20 0 CCADLP COC(C)(C)C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000573677125 358988987 /nfs/dbraw/zinc/98/89/87/358988987.db2.gz SYKZPACHTPPRKY-FRRDWIJNSA-N 2 2 274.405 0.471 20 0 CCADLP COC(C)(C)C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000573677125 358988990 /nfs/dbraw/zinc/98/89/90/358988990.db2.gz SYKZPACHTPPRKY-FRRDWIJNSA-N 2 2 274.405 0.471 20 0 CCADLP O=C(NCCc1cn2ccccc2[nH+]1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000562790061 291167833 /nfs/dbraw/zinc/16/78/33/291167833.db2.gz TXOXGPWQTNGTQB-BETUJISGSA-N 2 2 299.378 0.738 20 0 CCADLP COc1cc([C@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)ccn1 ZINC000579971713 359071940 /nfs/dbraw/zinc/07/19/40/359071940.db2.gz GTPXSHGPPGCGIF-GXTWGEPZSA-N 2 2 278.400 0.987 20 0 CCADLP COc1cc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)ccn1 ZINC000579971713 359071945 /nfs/dbraw/zinc/07/19/45/359071945.db2.gz GTPXSHGPPGCGIF-GXTWGEPZSA-N 2 2 278.400 0.987 20 0 CCADLP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000580768903 359091810 /nfs/dbraw/zinc/09/18/10/359091810.db2.gz BWSOBZFAVNPJFW-UKRRQHHQSA-N 3 2 269.433 0.763 20 0 CCADLP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000580768903 359091812 /nfs/dbraw/zinc/09/18/12/359091812.db2.gz BWSOBZFAVNPJFW-UKRRQHHQSA-N 3 2 269.433 0.763 20 0 CCADLP CCC[NH+]1CC[C@H](C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000580768903 359091813 /nfs/dbraw/zinc/09/18/13/359091813.db2.gz BWSOBZFAVNPJFW-UKRRQHHQSA-N 3 2 269.433 0.763 20 0 CCADLP CCC[NH+]1CC[C@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000580768903 359091814 /nfs/dbraw/zinc/09/18/14/359091814.db2.gz BWSOBZFAVNPJFW-UKRRQHHQSA-N 3 2 269.433 0.763 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC[C@H](C(N)=O)C2)n1C ZINC000579854055 359056913 /nfs/dbraw/zinc/05/69/13/359056913.db2.gz LPHXQMIOABWOTM-WDEREUQCSA-N 2 2 250.346 0.862 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000579923493 359061482 /nfs/dbraw/zinc/06/14/82/359061482.db2.gz DBHGALNPKBKYHW-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000579923493 359061484 /nfs/dbraw/zinc/06/14/84/359061484.db2.gz DBHGALNPKBKYHW-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@H]1C[NH+](C)CCN1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000579923493 359061485 /nfs/dbraw/zinc/06/14/85/359061485.db2.gz DBHGALNPKBKYHW-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@H]1C[NH+](C)CCN1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000579923493 359061489 /nfs/dbraw/zinc/06/14/89/359061489.db2.gz DBHGALNPKBKYHW-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)C1 ZINC000584665304 359190437 /nfs/dbraw/zinc/19/04/37/359190437.db2.gz HWZRVCKHDICSSN-VXGBXAGGSA-N 3 2 278.404 0.631 20 0 CCADLP COC(=O)C1([NH2+]CCCc2c[nH+]cn2C)CCOCC1 ZINC000582310016 359134344 /nfs/dbraw/zinc/13/43/44/359134344.db2.gz WUEQTZLBWWQWHG-UHFFFAOYSA-N 2 2 281.356 0.665 20 0 CCADLP CCC(=O)N1CCC[NH+](C[C@@H](O)C[N@@H+](C)CC)CC1 ZINC000583212088 359152244 /nfs/dbraw/zinc/15/22/44/359152244.db2.gz IYXZUAUMJAWQBI-ZDUSSCGKSA-N 2 2 271.405 0.243 20 0 CCADLP CCC(=O)N1CCC[NH+](C[C@@H](O)C[N@H+](C)CC)CC1 ZINC000583212088 359152247 /nfs/dbraw/zinc/15/22/47/359152247.db2.gz IYXZUAUMJAWQBI-ZDUSSCGKSA-N 2 2 271.405 0.243 20 0 CCADLP CCC(=O)N1CCC[N@@H+](C[C@@H](O)C[NH+](C)CC)CC1 ZINC000583212088 359152251 /nfs/dbraw/zinc/15/22/51/359152251.db2.gz IYXZUAUMJAWQBI-ZDUSSCGKSA-N 2 2 271.405 0.243 20 0 CCADLP CCC(=O)N1CCC[N@H+](C[C@@H](O)C[NH+](C)CC)CC1 ZINC000583212088 359152255 /nfs/dbraw/zinc/15/22/55/359152255.db2.gz IYXZUAUMJAWQBI-ZDUSSCGKSA-N 2 2 271.405 0.243 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCN1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000584788524 359206978 /nfs/dbraw/zinc/20/69/78/359206978.db2.gz NKHBEXYLIQYDRS-SOUVJXGZSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@H]1COCC[N@H+]1CCN1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000584788524 359206982 /nfs/dbraw/zinc/20/69/82/359206982.db2.gz NKHBEXYLIQYDRS-SOUVJXGZSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@H]1COCC[NH+]1CCN1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000584788524 359206985 /nfs/dbraw/zinc/20/69/85/359206985.db2.gz NKHBEXYLIQYDRS-SOUVJXGZSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@H]1COCC[NH+]1CCN1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000584788524 359206988 /nfs/dbraw/zinc/20/69/88/359206988.db2.gz NKHBEXYLIQYDRS-SOUVJXGZSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@H]1COCCN1CC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000584788524 359206989 /nfs/dbraw/zinc/20/69/89/359206989.db2.gz NKHBEXYLIQYDRS-SOUVJXGZSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@H]1COCCN1CC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000584788524 359206995 /nfs/dbraw/zinc/20/69/95/359206995.db2.gz NKHBEXYLIQYDRS-SOUVJXGZSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@H]1COCCN1CC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000584788524 359206998 /nfs/dbraw/zinc/20/69/98/359206998.db2.gz NKHBEXYLIQYDRS-SOUVJXGZSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@H]1COCCN1CC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000584788524 359207000 /nfs/dbraw/zinc/20/70/00/359207000.db2.gz NKHBEXYLIQYDRS-SOUVJXGZSA-N 2 2 267.417 0.876 20 0 CCADLP O=C(C[C@H]1COCC[NH2+]1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000584836477 359214241 /nfs/dbraw/zinc/21/42/41/359214241.db2.gz MEYJYDSQQIYLGH-RYUDHWBXSA-N 2 2 278.356 0.842 20 0 CCADLP CC[C@](C)(C[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)OC ZINC000562999121 291180100 /nfs/dbraw/zinc/18/01/00/291180100.db2.gz XKNVXTASEXDXSQ-APIJFGDWSA-N 2 2 288.432 0.861 20 0 CCADLP C[C@H](NC(=O)NCCC[NH+](C)C)[C@H](C)[NH+]1CCOCC1 ZINC000591538893 359598762 /nfs/dbraw/zinc/59/87/62/359598762.db2.gz VYFYSFBQFNIPNF-STQMWFEESA-N 2 2 286.420 0.347 20 0 CCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC1C[NH+](C(C)C)C1)C2 ZINC000296943714 200041908 /nfs/dbraw/zinc/04/19/08/200041908.db2.gz BVFVXXPMUDWKAG-LBPRGKRZSA-N 2 2 276.384 0.963 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000563064435 291186909 /nfs/dbraw/zinc/18/69/09/291186909.db2.gz KYKBFRIQVKUQGF-JQWIXIFHSA-N 2 2 282.413 0.989 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000563064435 291186912 /nfs/dbraw/zinc/18/69/12/291186912.db2.gz KYKBFRIQVKUQGF-JQWIXIFHSA-N 2 2 282.413 0.989 20 0 CCADLP C[NH+](C)CC1CCN(C(=O)[C@@H]([NH3+])c2cscn2)CC1 ZINC000563081550 291189156 /nfs/dbraw/zinc/18/91/56/291189156.db2.gz IDNHPIPABHNKNW-LBPRGKRZSA-N 2 2 282.413 0.943 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H](F)C2)[C@H](C[NH3+])C1 ZINC000563092355 291191347 /nfs/dbraw/zinc/19/13/47/291191347.db2.gz MWGADBOYHQBURI-IJLUTSLNSA-N 2 2 272.368 0.551 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H](F)C2)[C@H](C[NH3+])C1 ZINC000563092355 291191348 /nfs/dbraw/zinc/19/13/48/291191348.db2.gz MWGADBOYHQBURI-IJLUTSLNSA-N 2 2 272.368 0.551 20 0 CCADLP Cn1nnc2cc(CN3CC[N@H+](C)C[C@@H]3C[NH3+])ccc21 ZINC000563136155 291197488 /nfs/dbraw/zinc/19/74/88/291197488.db2.gz BNQRRVPJPBQTOE-LBPRGKRZSA-N 2 2 274.372 0.043 20 0 CCADLP Cn1nnc2cc(CN3CC[N@@H+](C)C[C@@H]3C[NH3+])ccc21 ZINC000563136155 291197490 /nfs/dbraw/zinc/19/74/90/291197490.db2.gz BNQRRVPJPBQTOE-LBPRGKRZSA-N 2 2 274.372 0.043 20 0 CCADLP COc1ccc2oc(N3CC[N@H+](C)C[C@@H]3C[NH3+])nc2c1 ZINC000563143177 291198619 /nfs/dbraw/zinc/19/86/19/291198619.db2.gz PAHALSCJXZKYPX-JTQLQIEISA-N 2 2 276.340 0.916 20 0 CCADLP COc1ccc2oc(N3CC[N@@H+](C)C[C@@H]3C[NH3+])nc2c1 ZINC000563143177 291198621 /nfs/dbraw/zinc/19/86/21/291198621.db2.gz PAHALSCJXZKYPX-JTQLQIEISA-N 2 2 276.340 0.916 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[NH2+]C[C@@H]2C(F)F)CCO1 ZINC000563149464 291199242 /nfs/dbraw/zinc/19/92/42/291199242.db2.gz BKMAPQWSHLIUAD-GHMZBOCLSA-N 2 2 263.332 0.246 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[NH2+]C[C@@H]2C(F)F)CCO1 ZINC000563149464 291199243 /nfs/dbraw/zinc/19/92/43/291199243.db2.gz BKMAPQWSHLIUAD-GHMZBOCLSA-N 2 2 263.332 0.246 20 0 CCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000592198305 359788329 /nfs/dbraw/zinc/78/83/29/359788329.db2.gz PDUDLTKBJPWTQH-DGCLKSJQSA-N 2 2 297.399 0.080 20 0 CCADLP Cc1ncc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c(=O)[nH]1 ZINC000563153940 291200026 /nfs/dbraw/zinc/20/00/26/291200026.db2.gz GZQPSPZQRQWKJJ-MCIONIFRSA-N 2 2 292.383 0.737 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000592433329 359839783 /nfs/dbraw/zinc/83/97/83/359839783.db2.gz JLPSJXXZTOPMDS-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000592433329 359839786 /nfs/dbraw/zinc/83/97/86/359839786.db2.gz JLPSJXXZTOPMDS-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@]2(C)CCC[NH2+]C2)CCO1 ZINC000563198293 291204310 /nfs/dbraw/zinc/20/43/10/291204310.db2.gz NTAKHMFHOYKJSJ-OCCSQVGLSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@]2(C)CCC[NH2+]C2)CCO1 ZINC000563198293 291204313 /nfs/dbraw/zinc/20/43/13/291204313.db2.gz NTAKHMFHOYKJSJ-OCCSQVGLSA-N 2 2 269.389 0.213 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC000297670004 200257641 /nfs/dbraw/zinc/25/76/41/200257641.db2.gz VQQMGMYFAKLNLW-LBPRGKRZSA-N 2 2 280.372 0.371 20 0 CCADLP COCC[N@H+]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC000297670004 200257642 /nfs/dbraw/zinc/25/76/42/200257642.db2.gz VQQMGMYFAKLNLW-LBPRGKRZSA-N 2 2 280.372 0.371 20 0 CCADLP COC(=O)C(C)(C)CC[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000592428572 359835782 /nfs/dbraw/zinc/83/57/82/359835782.db2.gz BDGSPIMTDWZFTM-GHMZBOCLSA-N 2 2 258.362 0.624 20 0 CCADLP COC(=O)C(C)(C)CC[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000592428572 359835789 /nfs/dbraw/zinc/83/57/89/359835789.db2.gz BDGSPIMTDWZFTM-GHMZBOCLSA-N 2 2 258.362 0.624 20 0 CCADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000563268491 291211277 /nfs/dbraw/zinc/21/12/77/291211277.db2.gz LKMROWTWGXXWET-HNNXBMFYSA-N 2 2 296.415 0.379 20 0 CCADLP CCSCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593052682 360021298 /nfs/dbraw/zinc/02/12/98/360021298.db2.gz UQIJQBKWBHCTTI-UHFFFAOYSA-N 2 2 259.419 0.445 20 0 CCADLP CCSCC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593052682 360021302 /nfs/dbraw/zinc/02/13/02/360021302.db2.gz UQIJQBKWBHCTTI-UHFFFAOYSA-N 2 2 259.419 0.445 20 0 CCADLP COC(=O)CCN(CC(C)C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593907459 360204020 /nfs/dbraw/zinc/20/40/20/360204020.db2.gz PGQYOBVOYUXZFW-GFCCVEGCSA-N 2 2 287.404 0.313 20 0 CCADLP COC(=O)C[C@@]1([NH2+]Cc2c[nH+]c3n2CCC3)CCOC1 ZINC000594944202 360423324 /nfs/dbraw/zinc/42/33/24/360423324.db2.gz IKXDNNCDHHOATK-AWEZNQCLSA-N 2 2 279.340 0.641 20 0 CCADLP C[C@@H](CSCCF)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000595014007 360433909 /nfs/dbraw/zinc/43/39/09/360433909.db2.gz KYOWTTUNWAXDLI-NSHDSACASA-N 2 2 277.409 0.441 20 0 CCADLP Nc1ccc(CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)c[nH+]1 ZINC000655927718 412702295 /nfs/dbraw/zinc/70/22/95/412702295.db2.gz JIWGMDYEMLZOKD-ZETCQYMHSA-N 2 2 277.250 0.353 20 0 CCADLP COC(=O)[C@H]1CC12CC[NH+](C[C@H]1C[NH2+]CCO1)CC2 ZINC000595890364 360690530 /nfs/dbraw/zinc/69/05/30/360690530.db2.gz CSZJDBPNAFYCSD-VXGBXAGGSA-N 2 2 268.357 0.250 20 0 CCADLP COC[C@]1(C(=O)OC)CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000595807885 360661986 /nfs/dbraw/zinc/66/19/86/360661986.db2.gz QMULRJIHTHVNKL-AWEZNQCLSA-N 2 2 281.356 0.927 20 0 CCADLP COC[C@]1(C(=O)OC)CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000595807885 360661988 /nfs/dbraw/zinc/66/19/88/360661988.db2.gz QMULRJIHTHVNKL-AWEZNQCLSA-N 2 2 281.356 0.927 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+](C)CC(C)(C)[NH3+] ZINC000595901360 360697933 /nfs/dbraw/zinc/69/79/33/360697933.db2.gz FUMYDOFVKOPOOF-QMMMGPOBSA-N 2 2 256.350 0.032 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000595901360 360697938 /nfs/dbraw/zinc/69/79/38/360697938.db2.gz FUMYDOFVKOPOOF-QMMMGPOBSA-N 2 2 256.350 0.032 20 0 CCADLP CCCC[N@H+](C)CCNC(=O)N1CC[NH+](C)C[C@H]1C[NH3+] ZINC000563569955 291237990 /nfs/dbraw/zinc/23/79/90/291237990.db2.gz QQXYVDMJOZDDQI-CYBMUJFWSA-N 3 2 285.436 0.003 20 0 CCADLP CCCC[N@@H+](C)CCNC(=O)N1CC[NH+](C)C[C@H]1C[NH3+] ZINC000563569955 291237992 /nfs/dbraw/zinc/23/79/92/291237992.db2.gz QQXYVDMJOZDDQI-CYBMUJFWSA-N 3 2 285.436 0.003 20 0 CCADLP CCCC[NH+](C)CCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000563569955 291237995 /nfs/dbraw/zinc/23/79/95/291237995.db2.gz QQXYVDMJOZDDQI-CYBMUJFWSA-N 3 2 285.436 0.003 20 0 CCADLP CCCC[NH+](C)CCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000563569955 291237998 /nfs/dbraw/zinc/23/79/98/291237998.db2.gz QQXYVDMJOZDDQI-CYBMUJFWSA-N 3 2 285.436 0.003 20 0 CCADLP CC(C)(C)n1cc(C[NH+]2CCN(C(=O)CC[NH3+])CC2)cn1 ZINC000178888907 189152457 /nfs/dbraw/zinc/15/24/57/189152457.db2.gz OEFVFMKVQKEFCJ-UHFFFAOYSA-N 2 2 293.415 0.631 20 0 CCADLP CN(C(=O)Cc1cn2ccccc2[nH+]1)[C@@H]1CC[NH2+]C1 ZINC000179047835 189164726 /nfs/dbraw/zinc/16/47/26/189164726.db2.gz CCJMQBOUMXLEDL-GFCCVEGCSA-N 2 2 258.325 0.697 20 0 CCADLP COC1CC[NH+](C(C)(C)C[NH2+]CCC(N)=O)CC1 ZINC000563617961 291242015 /nfs/dbraw/zinc/24/20/15/291242015.db2.gz LKWLHGISWOHQES-UHFFFAOYSA-N 2 2 257.378 0.341 20 0 CCADLP COCCN1CC[N@H+](CCCn2cc[nH+]c2)CC1=O ZINC000179661901 189210767 /nfs/dbraw/zinc/21/07/67/189210767.db2.gz AZOCUDJSXKHLOZ-UHFFFAOYSA-N 2 2 266.345 0.064 20 0 CCADLP COCCN1CC[N@@H+](CCCn2cc[nH+]c2)CC1=O ZINC000179661901 189210768 /nfs/dbraw/zinc/21/07/68/189210768.db2.gz AZOCUDJSXKHLOZ-UHFFFAOYSA-N 2 2 266.345 0.064 20 0 CCADLP COCC[NH+]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493737954 238343385 /nfs/dbraw/zinc/34/33/85/238343385.db2.gz HZPXHGRGGHWBHB-NSCUHMNNSA-N 2 2 264.329 0.214 20 0 CCADLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCn2c[nH+]cc2C1 ZINC000563759274 291249879 /nfs/dbraw/zinc/24/98/79/291249879.db2.gz VLLCRQGLUCPAPO-NSHDSACASA-N 2 2 275.356 0.645 20 0 CCADLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CCn2c[nH+]cc2C1 ZINC000563759274 291249880 /nfs/dbraw/zinc/24/98/80/291249880.db2.gz VLLCRQGLUCPAPO-NSHDSACASA-N 2 2 275.356 0.645 20 0 CCADLP C[C@H]([NH3+])[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000563810641 291251930 /nfs/dbraw/zinc/25/19/30/291251930.db2.gz RNYRTPRDDUVDAN-IUCAKERBSA-N 2 2 260.301 0.128 20 0 CCADLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)[C@]1(C)CCCO1 ZINC000340240582 299319983 /nfs/dbraw/zinc/31/99/83/299319983.db2.gz SNJTYVMTOMFCGD-IHRRRGAJSA-N 2 2 255.406 0.779 20 0 CCADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)[C@]1(C)CCCO1 ZINC000340240582 299319987 /nfs/dbraw/zinc/31/99/87/299319987.db2.gz SNJTYVMTOMFCGD-IHRRRGAJSA-N 2 2 255.406 0.779 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C2([NH+](C)C)CC2)C[C@@H]1C ZINC000597467196 361105315 /nfs/dbraw/zinc/10/53/15/361105315.db2.gz BUUIVZIPWNIPKW-LBPRGKRZSA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)C2([NH+](C)C)CC2)C[C@@H]1C ZINC000597467196 361105321 /nfs/dbraw/zinc/10/53/21/361105321.db2.gz BUUIVZIPWNIPKW-LBPRGKRZSA-N 2 2 297.399 0.176 20 0 CCADLP CNS(=O)(=O)CC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000621260698 366686284 /nfs/dbraw/zinc/68/62/84/366686284.db2.gz MRCVRQJPNJSQFZ-CYBMUJFWSA-N 2 2 289.445 0.199 20 0 CCADLP CNS(=O)(=O)CC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000621260698 366686287 /nfs/dbraw/zinc/68/62/87/366686287.db2.gz MRCVRQJPNJSQFZ-CYBMUJFWSA-N 2 2 289.445 0.199 20 0 CCADLP CNS(=O)(=O)CC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000621260698 366686291 /nfs/dbraw/zinc/68/62/91/366686291.db2.gz MRCVRQJPNJSQFZ-CYBMUJFWSA-N 2 2 289.445 0.199 20 0 CCADLP CNS(=O)(=O)CC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000621260698 366686296 /nfs/dbraw/zinc/68/62/96/366686296.db2.gz MRCVRQJPNJSQFZ-CYBMUJFWSA-N 2 2 289.445 0.199 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C2CCSCC2)C[C@H](C)O1 ZINC000563881026 291255731 /nfs/dbraw/zinc/25/57/31/291255731.db2.gz ASOFPHSXUHUZON-MBNYWOFBSA-N 2 2 288.457 0.942 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C2CCSCC2)C[C@H](C)O1 ZINC000563881026 291255735 /nfs/dbraw/zinc/25/57/35/291255735.db2.gz ASOFPHSXUHUZON-MBNYWOFBSA-N 2 2 288.457 0.942 20 0 CCADLP CSCCC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000597989845 361298143 /nfs/dbraw/zinc/29/81/43/361298143.db2.gz KJMOWTOESKHBKA-UHFFFAOYSA-N 2 2 261.435 0.739 20 0 CCADLP CSCCC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000597989845 361298145 /nfs/dbraw/zinc/29/81/45/361298145.db2.gz KJMOWTOESKHBKA-UHFFFAOYSA-N 2 2 261.435 0.739 20 0 CCADLP Cn1c2cc(C[N@@H+]3CCCO[C@H](C[NH3+])C3)ccc2oc1=O ZINC000631828372 370694984 /nfs/dbraw/zinc/69/49/84/370694984.db2.gz NITXLUKAANUDSS-GFCCVEGCSA-N 2 2 291.351 0.681 20 0 CCADLP Cn1c2cc(C[N@H+]3CCCO[C@H](C[NH3+])C3)ccc2oc1=O ZINC000631828372 370694987 /nfs/dbraw/zinc/69/49/87/370694987.db2.gz NITXLUKAANUDSS-GFCCVEGCSA-N 2 2 291.351 0.681 20 0 CCADLP COCC[C@H](C)[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000631827286 370693522 /nfs/dbraw/zinc/69/35/22/370693522.db2.gz KIZABFSFNNRXBJ-LBPRGKRZSA-N 2 2 293.415 0.986 20 0 CCADLP C[C@@H]([NH2+]Cc1cc(=O)n2ccccc2n1)[C@H]1CCC[NH2+]1 ZINC000564088377 291265659 /nfs/dbraw/zinc/26/56/59/291265659.db2.gz ALPYCTLRTKANMJ-DGCLKSJQSA-N 2 2 272.352 0.925 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CC(C)(C)CC[C@H]1CO)C1CC1 ZINC000621381583 366757051 /nfs/dbraw/zinc/75/70/51/366757051.db2.gz XIINQUSMRGHSKL-KBPBESRZSA-N 2 2 270.417 0.924 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CC(C)(C)CC[C@H]1CO)C1CC1 ZINC000621381583 366757055 /nfs/dbraw/zinc/75/70/55/366757055.db2.gz XIINQUSMRGHSKL-KBPBESRZSA-N 2 2 270.417 0.924 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CC(C)(C)CC[C@H]1CO)C1CC1 ZINC000621381583 366757061 /nfs/dbraw/zinc/75/70/61/366757061.db2.gz XIINQUSMRGHSKL-KBPBESRZSA-N 2 2 270.417 0.924 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CC(C)(C)CC[C@H]1CO)C1CC1 ZINC000621381583 366757066 /nfs/dbraw/zinc/75/70/66/366757066.db2.gz XIINQUSMRGHSKL-KBPBESRZSA-N 2 2 270.417 0.924 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621645465 366815107 /nfs/dbraw/zinc/81/51/07/366815107.db2.gz HAMSHAMKEJMNHN-UONOGXRCSA-N 2 2 283.416 0.603 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621645465 366815113 /nfs/dbraw/zinc/81/51/13/366815113.db2.gz HAMSHAMKEJMNHN-UONOGXRCSA-N 2 2 283.416 0.603 20 0 CCADLP Cc1cc(NC[C@@](C)(O)C[NH+]2CCOCC2)nc(C)[nH+]1 ZINC000301794750 201201376 /nfs/dbraw/zinc/20/13/76/201201376.db2.gz YFGQFAOVOUAEMT-CQSZACIVSA-N 2 2 280.372 0.589 20 0 CCADLP C[C@H](C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)[NH+]1CCN(C)CC1 ZINC000564453105 291280447 /nfs/dbraw/zinc/28/04/47/291280447.db2.gz RDQDMOYGESFTGD-QPSCCSFWSA-N 2 2 294.443 0.208 20 0 CCADLP COC(=O)C1(C[NH+]2CCC([NH+]3CCOCC3)CC2)CC1 ZINC000599472575 361713678 /nfs/dbraw/zinc/71/36/78/361713678.db2.gz YQFFKXUCJPKCHQ-UHFFFAOYSA-N 2 2 282.384 0.736 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612909874 364042900 /nfs/dbraw/zinc/04/29/00/364042900.db2.gz YVBWAMNZLGIHNT-GFCCVEGCSA-N 2 2 251.334 0.454 20 0 CCADLP [NH3+]CC1(O)CCN(C(=O)[C@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000564796969 291301253 /nfs/dbraw/zinc/30/12/53/291301253.db2.gz MATLYLYWWNDFNR-GFCCVEGCSA-N 2 2 299.321 0.277 20 0 CCADLP C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631863771 370723983 /nfs/dbraw/zinc/72/39/83/370723983.db2.gz FDJGLJRJFWDNKP-NSHDSACASA-N 2 2 271.405 0.336 20 0 CCADLP C[C@H](C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2)CS(C)(=O)=O ZINC000631867863 370727112 /nfs/dbraw/zinc/72/71/12/370727112.db2.gz MSISVMSOGMARPG-UTUOFQBUSA-N 2 2 260.403 0.399 20 0 CCADLP Cc1cc(NC(=O)CC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)no1 ZINC000631887513 370738301 /nfs/dbraw/zinc/73/83/01/370738301.db2.gz SKSZKNXIVULHHZ-CHWSQXEVSA-N 2 2 292.383 0.807 20 0 CCADLP Cc1cc(NC(=O)CC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)no1 ZINC000631887513 370738304 /nfs/dbraw/zinc/73/83/04/370738304.db2.gz SKSZKNXIVULHHZ-CHWSQXEVSA-N 2 2 292.383 0.807 20 0 CCADLP COCCCCC[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000564848508 291306778 /nfs/dbraw/zinc/30/67/78/291306778.db2.gz XTVWTVSEDLEQIE-ZNMIVQPWSA-N 2 2 288.432 0.863 20 0 CCADLP COCCCCC[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000564848508 291306780 /nfs/dbraw/zinc/30/67/80/291306780.db2.gz XTVWTVSEDLEQIE-ZNMIVQPWSA-N 2 2 288.432 0.863 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000613666897 364331937 /nfs/dbraw/zinc/33/19/37/364331937.db2.gz WAIGXFLVQIGYMD-VXGBXAGGSA-N 2 2 253.390 0.927 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000564889903 291311131 /nfs/dbraw/zinc/31/11/31/291311131.db2.gz KEJRTKZPRSJCHB-RKDXNWHRSA-N 2 2 280.397 0.925 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000564889903 291311132 /nfs/dbraw/zinc/31/11/32/291311132.db2.gz KEJRTKZPRSJCHB-RKDXNWHRSA-N 2 2 280.397 0.925 20 0 CCADLP C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCc3[nH+]ccn3C1)C2 ZINC000614035277 364469419 /nfs/dbraw/zinc/46/94/19/364469419.db2.gz NPOMEQRHNJEHGS-LBPRGKRZSA-N 2 2 274.368 0.610 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000614099235 364502584 /nfs/dbraw/zinc/50/25/84/364502584.db2.gz VWRQVYZBRRJAQW-WCQYABFASA-N 2 2 280.347 0.905 20 0 CCADLP CC1(C)NC(=O)N(CCC[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)C1=O ZINC000621779143 366865177 /nfs/dbraw/zinc/86/51/77/366865177.db2.gz AOFSDUXVYGDGDA-ABAIWWIYSA-N 2 2 294.399 0.520 20 0 CCADLP CC1(C)NC(=O)N(CCC[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)C1=O ZINC000621779143 366865181 /nfs/dbraw/zinc/86/51/81/366865181.db2.gz AOFSDUXVYGDGDA-ABAIWWIYSA-N 2 2 294.399 0.520 20 0 CCADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+]([C@@H]1CCN(CC(F)(F)F)C1=O)C2 ZINC000621781300 366865205 /nfs/dbraw/zinc/86/52/05/366865205.db2.gz BXOCGLBJYUFRCT-FOGDFJRCSA-N 2 2 291.317 0.963 20 0 CCADLP [NH3+][C@]12CCC[C@@H]1C[N@H+]([C@@H]1CCN(CC(F)(F)F)C1=O)C2 ZINC000621781300 366865207 /nfs/dbraw/zinc/86/52/07/366865207.db2.gz BXOCGLBJYUFRCT-FOGDFJRCSA-N 2 2 291.317 0.963 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000614274860 364558162 /nfs/dbraw/zinc/55/81/62/364558162.db2.gz DNGLSGKYAVHKAD-GFCCVEGCSA-N 2 2 274.324 0.994 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000614274860 364558166 /nfs/dbraw/zinc/55/81/66/364558166.db2.gz DNGLSGKYAVHKAD-GFCCVEGCSA-N 2 2 274.324 0.994 20 0 CCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000335656504 212374681 /nfs/dbraw/zinc/37/46/81/212374681.db2.gz KJTVOERQHBPUJB-RYUDHWBXSA-N 2 2 294.424 0.864 20 0 CCADLP [NH3+]CCOCC[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000357068050 144056085 /nfs/dbraw/zinc/05/60/85/144056085.db2.gz FVUBEPBKGGKEMG-JTQLQIEISA-N 2 2 257.359 0.492 20 0 CCADLP [NH3+]CCOCC[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000357068050 144056086 /nfs/dbraw/zinc/05/60/86/144056086.db2.gz FVUBEPBKGGKEMG-JTQLQIEISA-N 2 2 257.359 0.492 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1cccnc1 ZINC000564944580 291322827 /nfs/dbraw/zinc/32/28/27/291322827.db2.gz USPYECPYCDPCAA-WCQYABFASA-N 2 2 262.357 0.286 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1cccnc1 ZINC000564944580 291322828 /nfs/dbraw/zinc/32/28/28/291322828.db2.gz USPYECPYCDPCAA-WCQYABFASA-N 2 2 262.357 0.286 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000614965432 364797094 /nfs/dbraw/zinc/79/70/94/364797094.db2.gz WKTALUNHMYQEHU-UHFFFAOYSA-N 2 2 276.384 0.907 20 0 CCADLP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000615303881 364913305 /nfs/dbraw/zinc/91/33/05/364913305.db2.gz VHKWWZGGWQHCHT-DYEKYZERSA-N 2 2 276.384 0.997 20 0 CCADLP C[NH+](C)C1(CS(=O)(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000631951609 370784055 /nfs/dbraw/zinc/78/40/55/370784055.db2.gz LTLJCFJZDYKMSR-UHFFFAOYSA-N 2 2 275.418 0.094 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCOC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000615269407 364901520 /nfs/dbraw/zinc/90/15/20/364901520.db2.gz KXOKYJUVOOVGRG-KGLIPLIRSA-N 2 2 292.383 0.284 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCOC[C@H]1[C@H]1CCC[N@H+]1C ZINC000615269407 364901523 /nfs/dbraw/zinc/90/15/23/364901523.db2.gz KXOKYJUVOOVGRG-KGLIPLIRSA-N 2 2 292.383 0.284 20 0 CCADLP CCOCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564987363 291331425 /nfs/dbraw/zinc/33/14/25/291331425.db2.gz ZGVWFAGUFPECSB-GDBMZVCRSA-N 2 2 297.443 0.993 20 0 CCADLP CCOCCCNC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564987363 291331428 /nfs/dbraw/zinc/33/14/28/291331428.db2.gz ZGVWFAGUFPECSB-GDBMZVCRSA-N 2 2 297.443 0.993 20 0 CCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C[NH3+] ZINC000564993643 291333670 /nfs/dbraw/zinc/33/36/70/291333670.db2.gz KEFGQZDQPFTGFQ-UHFFFAOYSA-N 2 2 250.302 0.124 20 0 CCADLP CCOC(=O)N1CCC[N@H+](C[C@@](C)(O)C[NH2+]C)CC1 ZINC000496609146 240243704 /nfs/dbraw/zinc/24/37/04/240243704.db2.gz YSGLFFGKMZGUEQ-ZDUSSCGKSA-N 2 2 273.377 0.121 20 0 CCADLP CCOC(=O)N1CCC[N@@H+](C[C@@](C)(O)C[NH2+]C)CC1 ZINC000496609146 240243711 /nfs/dbraw/zinc/24/37/11/240243711.db2.gz YSGLFFGKMZGUEQ-ZDUSSCGKSA-N 2 2 273.377 0.121 20 0 CCADLP C[NH+](C)CC(C)(C)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000616188205 365208359 /nfs/dbraw/zinc/20/83/59/365208359.db2.gz QDUBOYDKDHWDSA-JTQLQIEISA-N 2 2 264.373 0.971 20 0 CCADLP C[NH+](C)CC(C)(C)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000616188205 365208361 /nfs/dbraw/zinc/20/83/61/365208361.db2.gz QDUBOYDKDHWDSA-JTQLQIEISA-N 2 2 264.373 0.971 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000616307103 365256000 /nfs/dbraw/zinc/25/60/00/365256000.db2.gz FWYOBGGKWCCCGO-IJLUTSLNSA-N 2 2 262.357 0.734 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000616307103 365256006 /nfs/dbraw/zinc/25/60/06/365256006.db2.gz FWYOBGGKWCCCGO-IJLUTSLNSA-N 2 2 262.357 0.734 20 0 CCADLP C[C@@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)[C@H](C)[NH3+] ZINC000417422030 296080315 /nfs/dbraw/zinc/08/03/15/296080315.db2.gz JZWFTKXJKXIHMY-WDEREUQCSA-N 2 2 272.393 0.132 20 0 CCADLP C[C@@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)[C@H](C)[NH3+] ZINC000417422030 296080316 /nfs/dbraw/zinc/08/03/16/296080316.db2.gz JZWFTKXJKXIHMY-WDEREUQCSA-N 2 2 272.393 0.132 20 0 CCADLP Cc1nc2[nH]ccc2c(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)[nH+]1 ZINC000565232595 291364798 /nfs/dbraw/zinc/36/47/98/291364798.db2.gz KYEQXLUPEANNTO-MWLCHTKSSA-N 2 2 286.339 0.015 20 0 CCADLP COCCn1cc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cn1 ZINC000622003673 366974970 /nfs/dbraw/zinc/97/49/70/366974970.db2.gz DEQBIGWGWAVTRA-KGLIPLIRSA-N 2 2 264.373 0.843 20 0 CCADLP COCCn1cc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cn1 ZINC000622003673 366974975 /nfs/dbraw/zinc/97/49/75/366974975.db2.gz DEQBIGWGWAVTRA-KGLIPLIRSA-N 2 2 264.373 0.843 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NCCc2cn(C)c[nH+]2)C[N@@H+]1C1CC1 ZINC000565290318 291369031 /nfs/dbraw/zinc/36/90/31/291369031.db2.gz IDNNPMCDRNDXRC-YPMHNXCESA-N 2 2 291.399 0.887 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NCCc2cn(C)c[nH+]2)C[N@H+]1C1CC1 ZINC000565290318 291369034 /nfs/dbraw/zinc/36/90/34/291369034.db2.gz IDNNPMCDRNDXRC-YPMHNXCESA-N 2 2 291.399 0.887 20 0 CCADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C[C@H]1[NH3+] ZINC000565251263 291367300 /nfs/dbraw/zinc/36/73/00/291367300.db2.gz QZDRCHBNXGWGMN-MWLCHTKSSA-N 2 2 287.323 0.078 20 0 CCADLP CN(C)[C@@H](C(=O)NC[C@@H](C1CC1)[NH+](C)C)c1c[nH+]cn1C ZINC000622318041 367115582 /nfs/dbraw/zinc/11/55/82/367115582.db2.gz XWUBBWMCXXFNIS-GXTWGEPZSA-N 2 2 293.415 0.479 20 0 CCADLP CN(C)[C@H](C(=O)NCC1CC[NH+](C)CC1)c1c[nH+]cn1C ZINC000622342867 367122081 /nfs/dbraw/zinc/12/20/81/367122081.db2.gz GSBHCXBNMXKRHY-AWEZNQCLSA-N 2 2 293.415 0.481 20 0 CCADLP C[NH+](C)CCCS(=O)(=O)N1CCc2c[nH+]ccc21 ZINC000632072811 370859554 /nfs/dbraw/zinc/85/95/54/370859554.db2.gz NKOXYIWZRQPVML-UHFFFAOYSA-N 2 2 269.370 0.726 20 0 CCADLP O=C(CCCC[NH+]1CCOCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623260554 367498457 /nfs/dbraw/zinc/49/84/57/367498457.db2.gz HUKDQZCPGZFGMD-CYBMUJFWSA-N 2 2 292.383 0.427 20 0 CCADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@H]1CCc2c[nH+]cn2C1 ZINC000623257735 367495343 /nfs/dbraw/zinc/49/53/43/367495343.db2.gz SLERLAGCBIKTDK-WDEREUQCSA-N 2 2 271.324 0.383 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccncc2Cl)CC1 ZINC000623381162 367551359 /nfs/dbraw/zinc/55/13/59/367551359.db2.gz DLIKOKOTDPGTGY-UHFFFAOYSA-N 2 2 282.775 0.599 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000623394726 367554054 /nfs/dbraw/zinc/55/40/54/367554054.db2.gz PPLHQVYOCQERHG-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000623394726 367554060 /nfs/dbraw/zinc/55/40/60/367554060.db2.gz PPLHQVYOCQERHG-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP CC[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623394726 367554069 /nfs/dbraw/zinc/55/40/69/367554069.db2.gz PPLHQVYOCQERHG-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP CC[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623394726 367554075 /nfs/dbraw/zinc/55/40/75/367554075.db2.gz PPLHQVYOCQERHG-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@]1(F)C[NH2+]CCN(C(=O)c2c[nH+]ccc2N)C1 ZINC000566250940 291385316 /nfs/dbraw/zinc/38/53/16/291385316.db2.gz JKWBZYNGFBDUDP-LBPRGKRZSA-N 2 2 252.293 0.268 20 0 CCADLP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]([NH3+])c1cscn1 ZINC000566298393 291391665 /nfs/dbraw/zinc/39/16/65/291391665.db2.gz XKSVUGVSXOMPFP-SCVCMEIPSA-N 2 2 280.397 0.838 20 0 CCADLP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H]([NH3+])c1cscn1 ZINC000566298393 291391666 /nfs/dbraw/zinc/39/16/66/291391666.db2.gz XKSVUGVSXOMPFP-SCVCMEIPSA-N 2 2 280.397 0.838 20 0 CCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623707568 367625705 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C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1COCC[NH+]1C ZINC000623749039 367644545 /nfs/dbraw/zinc/64/45/45/367644545.db2.gz SCKQZINHDAZTGH-BNOWGMLFSA-N 2 2 296.415 0.099 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1COCC[NH+]1C ZINC000623749039 367644553 /nfs/dbraw/zinc/64/45/53/367644553.db2.gz SCKQZINHDAZTGH-BNOWGMLFSA-N 2 2 296.415 0.099 20 0 CCADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623749039 367644561 /nfs/dbraw/zinc/64/45/61/367644561.db2.gz SCKQZINHDAZTGH-BNOWGMLFSA-N 2 2 296.415 0.099 20 0 CCADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623749039 367644569 /nfs/dbraw/zinc/64/45/69/367644569.db2.gz SCKQZINHDAZTGH-BNOWGMLFSA-N 2 2 296.415 0.099 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000566352051 291396515 /nfs/dbraw/zinc/39/65/15/291396515.db2.gz STZDEMAZDQDPJR-IUODEOHRSA-N 2 2 293.415 0.832 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000566352051 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0 CCADLP C[C@H](NC(=O)NC[C@H]1COCC[NH+]1C)C1=CC[N@H+](C)CC1 ZINC000623873709 367683959 /nfs/dbraw/zinc/68/39/59/367683959.db2.gz OZVVBFWZYMLYJI-JSGCOSHPSA-N 2 2 296.415 0.267 20 0 CCADLP C[C@H](NC(=O)NC[C@H]1COCC[NH+]1C)C1=CC[N@@H+](C)CC1 ZINC000623873709 367683963 /nfs/dbraw/zinc/68/39/63/367683963.db2.gz OZVVBFWZYMLYJI-JSGCOSHPSA-N 2 2 296.415 0.267 20 0 CCADLP C[NH+](C)CCCS(=O)(=O)NCCNc1cccc[nH+]1 ZINC000632097953 370869919 /nfs/dbraw/zinc/86/99/19/370869919.db2.gz ZQAULKITYHXRDG-UHFFFAOYSA-N 2 2 286.401 0.365 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCn2ccnc21 ZINC000624086506 367749981 /nfs/dbraw/zinc/74/99/81/367749981.db2.gz IYVVSCRXFKFNHJ-STQMWFEESA-N 2 2 291.399 0.647 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCn2ccnc21 ZINC000624086506 367749982 /nfs/dbraw/zinc/74/99/82/367749982.db2.gz IYVVSCRXFKFNHJ-STQMWFEESA-N 2 2 291.399 0.647 20 0 CCADLP Cn1ncc2c1nc[nH+]c2NC1CC([NH+]2CCOCC2)C1 ZINC000624331176 367833972 /nfs/dbraw/zinc/83/39/72/367833972.db2.gz QIVKLXRFRFBGRE-UHFFFAOYSA-N 2 2 288.355 0.638 20 0 CCADLP Cc1nc(N2CC[NH+](CCCF)CC2)nc(N(C)C)[nH+]1 ZINC000624335739 367838816 /nfs/dbraw/zinc/83/88/16/367838816.db2.gz ZKDJWGGFXPJTMG-UHFFFAOYSA-N 2 2 282.367 0.728 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNc1cc(NCC2CC2)[nH+]cn1 ZINC000624619868 367930281 /nfs/dbraw/zinc/93/02/81/367930281.db2.gz NZDBMJATGIOUNU-LBPRGKRZSA-N 2 2 277.372 0.463 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNc1cc(NCC2CC2)[nH+]cn1 ZINC000624619868 367930287 /nfs/dbraw/zinc/93/02/87/367930287.db2.gz NZDBMJATGIOUNU-LBPRGKRZSA-N 2 2 277.372 0.463 20 0 CCADLP Cc1cc(NC[C@H]2COCC[N@H+]2C)nc(C2CC2)[nH+]1 ZINC000624619412 367931435 /nfs/dbraw/zinc/93/14/35/367931435.db2.gz BTLNDERJEJWDMY-LBPRGKRZSA-N 2 2 262.357 0.827 20 0 CCADLP Cc1cc(NC[C@H]2COCC[N@@H+]2C)nc(C2CC2)[nH+]1 ZINC000624619412 367931443 /nfs/dbraw/zinc/93/14/43/367931443.db2.gz BTLNDERJEJWDMY-LBPRGKRZSA-N 2 2 262.357 0.827 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNc1cc(NC2CC2)[nH+]cn1 ZINC000624622000 367933450 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C[NH+]1CC[C@]2(CCN(C(=O)NC[C@@H]3COCC[N@@H+]3C)C2)C1 ZINC000624734632 367972720 /nfs/dbraw/zinc/97/27/20/367972720.db2.gz SDKVCJSTOFCSBJ-HIFRSBDPSA-N 2 2 296.415 0.054 20 0 CCADLP C[NH+]1CC[C@]2(CCN(C(=O)NC[C@@H]3COCC[N@H+]3C)C2)C1 ZINC000624734632 367972725 /nfs/dbraw/zinc/97/27/25/367972725.db2.gz SDKVCJSTOFCSBJ-HIFRSBDPSA-N 2 2 296.415 0.054 20 0 CCADLP CCO[C@@H](C[NH+]1CCN(C(=O)C[NH+](C)C)CC1)C1CC1 ZINC000625081453 368059967 /nfs/dbraw/zinc/05/99/67/368059967.db2.gz PVBSEZFDUIVTSJ-AWEZNQCLSA-N 2 2 283.416 0.507 20 0 CCADLP OCc1ccc(F)c(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000625096960 368062641 /nfs/dbraw/zinc/06/26/41/368062641.db2.gz HPXZSGKRXFHLJI-STQMWFEESA-N 2 2 250.317 0.969 20 0 CCADLP C[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000624940214 368023764 /nfs/dbraw/zinc/02/37/64/368023764.db2.gz YMPRXVIXTQVFAT-UONOGXRCSA-N 2 2 296.415 0.197 20 0 CCADLP C[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000624940214 368023767 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368253520 /nfs/dbraw/zinc/25/35/20/368253520.db2.gz UOUFMOPHLMTTFO-UHFFFAOYSA-N 2 2 293.415 0.335 20 0 CCADLP CN(CCOCC[NH3+])C(=O)Nc1ccn2cc[nH+]c2c1 ZINC000625884871 368357092 /nfs/dbraw/zinc/35/70/92/368357092.db2.gz JATXMCKDFBQEPU-UHFFFAOYSA-N 2 2 277.328 0.773 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000625978720 368384195 /nfs/dbraw/zinc/38/41/95/368384195.db2.gz DOHRODDLKIJUCX-UHFFFAOYSA-N 2 2 287.367 0.935 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[NH2+]C(C)(C)C1)CC2 ZINC000625979764 368384293 /nfs/dbraw/zinc/38/42/93/368384293.db2.gz WEJXHEBOMZGOSK-GFCCVEGCSA-N 2 2 276.384 0.964 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N1CC[NH+](CCCF)CC1 ZINC000626071337 368420904 /nfs/dbraw/zinc/42/09/04/368420904.db2.gz ZLJDLMQEEAQWJT-AWEZNQCLSA-N 2 2 273.396 0.684 20 0 CCADLP Cc1noc([C@H]2OCC[C@H]2[NH2+]C[C@H](O)C[N@@H+](C)C(C)C)n1 ZINC000626144043 368455913 /nfs/dbraw/zinc/45/59/13/368455913.db2.gz PMOZGNVDVOJVKE-XQQFMLRXSA-N 2 2 298.387 0.499 20 0 CCADLP Cc1noc([C@H]2OCC[C@H]2[NH2+]C[C@H](O)C[N@H+](C)C(C)C)n1 ZINC000626144043 368455917 /nfs/dbraw/zinc/45/59/17/368455917.db2.gz PMOZGNVDVOJVKE-XQQFMLRXSA-N 2 2 298.387 0.499 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCOCC(F)F)C[C@@H](C)O1 ZINC000566733537 291434111 /nfs/dbraw/zinc/43/41/11/291434111.db2.gz DHESZEUZMKFOBG-IJLUTSLNSA-N 2 2 296.358 0.328 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000626939722 368689966 /nfs/dbraw/zinc/68/99/66/368689966.db2.gz MOYHUFGWWGDPBQ-OUAUKWLOSA-N 2 2 251.334 0.321 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000626970577 368703641 /nfs/dbraw/zinc/70/36/41/368703641.db2.gz PTOWTJDPYDUJQS-XDQVBPFNSA-N 2 2 298.431 0.535 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000626922812 368680245 /nfs/dbraw/zinc/68/02/45/368680245.db2.gz FNTDNFDBHQBNSA-WDEREUQCSA-N 2 2 251.334 0.323 20 0 CCADLP C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)CCC[NH+](C)C ZINC000632174314 370906053 /nfs/dbraw/zinc/90/60/53/370906053.db2.gz WOHLHFNVFFBKIN-RYUDHWBXSA-N 2 2 277.434 0.292 20 0 CCADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)CCC[NH+](C)C ZINC000632174314 370906058 /nfs/dbraw/zinc/90/60/58/370906058.db2.gz WOHLHFNVFFBKIN-RYUDHWBXSA-N 2 2 277.434 0.292 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NCCOCC[NH2+]C ZINC000627053083 368758560 /nfs/dbraw/zinc/75/85/60/368758560.db2.gz XEOJULXPYNCOPN-NSHDSACASA-N 2 2 283.376 0.499 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCC1([NH3+])CCCCC1 ZINC000627067441 368768111 /nfs/dbraw/zinc/76/81/11/368768111.db2.gz DBAOYYYZWKXAFD-LBPRGKRZSA-N 2 2 284.404 0.278 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCC1([NH3+])CCCCC1 ZINC000627067441 368768117 /nfs/dbraw/zinc/76/81/17/368768117.db2.gz DBAOYYYZWKXAFD-LBPRGKRZSA-N 2 2 284.404 0.278 20 0 CCADLP C[C@H](NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)c1[nH+]ccn1C ZINC000627116903 368809005 /nfs/dbraw/zinc/80/90/05/368809005.db2.gz AXTHXCCSFHCANN-OUAUKWLOSA-N 2 2 265.361 0.921 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000627105292 368798915 /nfs/dbraw/zinc/79/89/15/368798915.db2.gz DYXIFBZIMYPGPY-FQUUOJAGSA-N 2 2 296.415 0.004 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000627105292 368798923 /nfs/dbraw/zinc/79/89/23/368798923.db2.gz DYXIFBZIMYPGPY-FQUUOJAGSA-N 2 2 296.415 0.004 20 0 CCADLP C[C@H]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)C[C@H]1n1cc[nH+]c1 ZINC000627249696 368914091 /nfs/dbraw/zinc/91/40/91/368914091.db2.gz ZIWOWDVMCHZFTE-YNEHKIRRSA-N 2 2 277.372 0.838 20 0 CCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627182822 368851811 /nfs/dbraw/zinc/85/18/11/368851811.db2.gz DACSQYQJXSHTEQ-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627182822 368851814 /nfs/dbraw/zinc/85/18/14/368851814.db2.gz DACSQYQJXSHTEQ-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP CCN(C(=O)Cn1cc[nH+]c1)C1CC[NH+](C)CC1 ZINC000627615937 369055753 /nfs/dbraw/zinc/05/57/53/369055753.db2.gz UWARJYAYQASKCH-UHFFFAOYSA-N 2 2 250.346 0.826 20 0 CCADLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C(N)=O ZINC000656259166 412775191 /nfs/dbraw/zinc/77/51/91/412775191.db2.gz YTHDYPMJLHKFON-PWSUYJOCSA-N 2 2 255.362 0.093 20 0 CCADLP CC[C@@H](C)[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000168941441 335012390 /nfs/dbraw/zinc/01/23/90/335012390.db2.gz VMZZZIOCMXESAH-CQSZACIVSA-N 2 2 257.422 0.765 20 0 CCADLP Cc1ncc(C[NH2+]C2(CCO)CC[NH+](C)CC2)o1 ZINC000628239456 369222383 /nfs/dbraw/zinc/22/23/83/369222383.db2.gz RQXYRJUQGAFOKR-UHFFFAOYSA-N 2 2 253.346 0.919 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000628421604 369266070 /nfs/dbraw/zinc/26/60/70/369266070.db2.gz KBNQVPSIUBANHC-MELADBBJSA-N 2 2 281.400 0.483 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000628421604 369266076 /nfs/dbraw/zinc/26/60/76/369266076.db2.gz KBNQVPSIUBANHC-MELADBBJSA-N 2 2 281.400 0.483 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H]1COCC[NH+]1C ZINC000628917708 369458974 /nfs/dbraw/zinc/45/89/74/369458974.db2.gz ODZJBBJLHVQLGC-XQQFMLRXSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@H]1COCC[NH+]1C ZINC000628917708 369458976 /nfs/dbraw/zinc/45/89/76/369458976.db2.gz ODZJBBJLHVQLGC-XQQFMLRXSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628917708 369458979 /nfs/dbraw/zinc/45/89/79/369458979.db2.gz ODZJBBJLHVQLGC-XQQFMLRXSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628917708 369458981 /nfs/dbraw/zinc/45/89/81/369458981.db2.gz ODZJBBJLHVQLGC-XQQFMLRXSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H](c1nnnn1C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000276191294 193237605 /nfs/dbraw/zinc/23/76/05/193237605.db2.gz ICHXNYAESTXZEY-VIFPVBQESA-N 2 2 261.333 0.874 20 0 CCADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1[nH+]ccn1C ZINC000330899730 203368104 /nfs/dbraw/zinc/36/81/04/203368104.db2.gz QAKLUUZLCWLUHB-QWRGUYRKSA-N 2 2 250.346 0.909 20 0 CCADLP C[C@@H](CC(=O)NCC[N@@H+]1CC[C@@H](O)C1)n1cc[nH+]c1 ZINC000629168466 369542538 /nfs/dbraw/zinc/54/25/38/369542538.db2.gz XCBZBOVVYAUQBE-NWDGAFQWSA-N 2 2 266.345 0.017 20 0 CCADLP C[C@@H](CC(=O)NCC[N@H+]1CC[C@@H](O)C1)n1cc[nH+]c1 ZINC000629168466 369542541 /nfs/dbraw/zinc/54/25/41/369542541.db2.gz XCBZBOVVYAUQBE-NWDGAFQWSA-N 2 2 266.345 0.017 20 0 CCADLP C[NH2+]CCOCC[N@H+](C)CC(=O)Nc1ccccc1F ZINC000629566221 369712101 /nfs/dbraw/zinc/71/21/01/369712101.db2.gz IHFAEKPZXWFPBW-UHFFFAOYSA-N 2 2 283.347 0.932 20 0 CCADLP C[NH2+]CCOCC[N@@H+](C)CC(=O)Nc1ccccc1F ZINC000629566221 369712106 /nfs/dbraw/zinc/71/21/06/369712106.db2.gz IHFAEKPZXWFPBW-UHFFFAOYSA-N 2 2 283.347 0.932 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629565024 369712275 /nfs/dbraw/zinc/71/22/75/369712275.db2.gz UMGIEWPELSWHNX-VWYCJHECSA-N 3 2 283.338 0.416 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629565024 369712281 /nfs/dbraw/zinc/71/22/81/369712281.db2.gz UMGIEWPELSWHNX-VWYCJHECSA-N 3 2 283.338 0.416 20 0 CCADLP CCn1cccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1=O ZINC000629580079 369722579 /nfs/dbraw/zinc/72/25/79/369722579.db2.gz SPWBRBUWDPYDBQ-CQSZACIVSA-N 2 2 279.384 0.415 20 0 CCADLP CCCNC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629569345 369714893 /nfs/dbraw/zinc/71/48/93/369714893.db2.gz WVOWPUHVKVDFML-VHSXEESVSA-N 2 2 281.322 0.972 20 0 CCADLP CCCNC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629569345 369714895 /nfs/dbraw/zinc/71/48/95/369714895.db2.gz WVOWPUHVKVDFML-VHSXEESVSA-N 2 2 281.322 0.972 20 0 CCADLP Cc1cc(C[C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)n[nH]1 ZINC000629571297 369715839 /nfs/dbraw/zinc/71/58/39/369715839.db2.gz KOVCCIIMZREKJI-SMDDNHRTSA-N 2 2 266.389 0.695 20 0 CCADLP O=S1(=O)CCCC[C@@H]1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629575330 369718058 /nfs/dbraw/zinc/71/80/58/369718058.db2.gz RTDZTLYFBHKGJI-QWHCGFSZSA-N 2 2 290.429 0.000 20 0 CCADLP Cn1cc(-c2nc(C[N@H+](C)CCOCC[NH3+])cs2)cn1 ZINC000629577807 369721034 /nfs/dbraw/zinc/72/10/34/369721034.db2.gz JLTYCPDZFATFEW-UHFFFAOYSA-N 2 2 295.412 0.951 20 0 CCADLP Cn1cc(-c2nc(C[N@@H+](C)CCOCC[NH3+])cs2)cn1 ZINC000629577807 369721040 /nfs/dbraw/zinc/72/10/40/369721040.db2.gz JLTYCPDZFATFEW-UHFFFAOYSA-N 2 2 295.412 0.951 20 0 CCADLP CCO[C@H](C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C1CC1 ZINC000629518227 369689679 /nfs/dbraw/zinc/68/96/79/369689679.db2.gz JHYVHUCOZKGOLD-HUUCEWRRSA-N 2 2 295.427 0.698 20 0 CCADLP CCO[C@H](C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C1CC1 ZINC000629518227 369689681 /nfs/dbraw/zinc/68/96/81/369689681.db2.gz JHYVHUCOZKGOLD-HUUCEWRRSA-N 2 2 295.427 0.698 20 0 CCADLP CCCN(CC(F)(F)F)C(=O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000629538296 369696066 /nfs/dbraw/zinc/69/60/66/369696066.db2.gz TYTXTUXCDQZESI-VIFPVBQESA-N 2 2 285.310 0.039 20 0 CCADLP CCCN(CC(F)(F)F)C(=O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000629538296 369696068 /nfs/dbraw/zinc/69/60/68/369696068.db2.gz TYTXTUXCDQZESI-VIFPVBQESA-N 2 2 285.310 0.039 20 0 CCADLP CCCN(CC(F)(F)F)C(=O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000629538284 369696079 /nfs/dbraw/zinc/69/60/79/369696079.db2.gz TYTXTUXCDQZESI-SECBINFHSA-N 2 2 285.310 0.039 20 0 CCADLP CCCN(CC(F)(F)F)C(=O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000629538284 369696083 /nfs/dbraw/zinc/69/60/83/369696083.db2.gz TYTXTUXCDQZESI-SECBINFHSA-N 2 2 285.310 0.039 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc[nH]c1=O ZINC000629544221 369697783 /nfs/dbraw/zinc/69/77/83/369697783.db2.gz IEHWTWGLCAUWTK-ZYHUDNBSSA-N 2 2 251.330 0.644 20 0 CCADLP CNC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629561199 369708118 /nfs/dbraw/zinc/70/81/18/369708118.db2.gz GSRCZPMQQSPRFX-HTQZYQBOSA-N 2 2 253.268 0.192 20 0 CCADLP CNC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629561199 369708122 /nfs/dbraw/zinc/70/81/22/369708122.db2.gz GSRCZPMQQSPRFX-HTQZYQBOSA-N 2 2 253.268 0.192 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CC2=CCCOC2)C1 ZINC000629647382 369747852 /nfs/dbraw/zinc/74/78/52/369747852.db2.gz SNIPNOINMMLMDX-AWEZNQCLSA-N 2 2 279.384 0.229 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CC2=CCCOC2)C1 ZINC000629647382 369747858 /nfs/dbraw/zinc/74/78/58/369747858.db2.gz SNIPNOINMMLMDX-AWEZNQCLSA-N 2 2 279.384 0.229 20 0 CCADLP c1nnc2ccc(N3CC[C@@H]([NH2+][C@@H]4CCC[NH2+]C4)C3)nn12 ZINC000629655646 369749328 /nfs/dbraw/zinc/74/93/28/369749328.db2.gz WZMRLRQRKKKHLZ-VXGBXAGGSA-N 2 2 287.371 0.045 20 0 CCADLP O=C1NCC[NH2+][C@H]1c1cccc(C2=CC[NH2+]CC2)c1 ZINC000629723266 369764443 /nfs/dbraw/zinc/76/44/43/369764443.db2.gz LUGYZJUAOJLCFV-AWEZNQCLSA-N 2 2 257.337 0.824 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000629593191 369732238 /nfs/dbraw/zinc/73/22/38/369732238.db2.gz HSAPQNBUKSZTHE-IYBDPMFKSA-N 3 2 294.443 0.082 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000629593191 369732244 /nfs/dbraw/zinc/73/22/44/369732244.db2.gz HSAPQNBUKSZTHE-IYBDPMFKSA-N 3 2 294.443 0.082 20 0 CCADLP O=C(NCC[N@H+]1CC[C@H](O)C1)c1ccc2[nH+]ccn2c1 ZINC000629912913 369819654 /nfs/dbraw/zinc/81/96/54/369819654.db2.gz AWLXCMKLWKCVPC-LBPRGKRZSA-N 2 2 274.324 0.131 20 0 CCADLP O=C(NCC[N@@H+]1CC[C@H](O)C1)c1ccc2[nH+]ccn2c1 ZINC000629912913 369819657 /nfs/dbraw/zinc/81/96/57/369819657.db2.gz AWLXCMKLWKCVPC-LBPRGKRZSA-N 2 2 274.324 0.131 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C[N@H+](C)C1CCC1 ZINC000629947148 369847960 /nfs/dbraw/zinc/84/79/60/369847960.db2.gz HZZCYXGHDVLQGS-LLVKDONJSA-N 2 2 250.346 0.872 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C[N@@H+](C)C1CCC1 ZINC000629947148 369847962 /nfs/dbraw/zinc/84/79/62/369847962.db2.gz HZZCYXGHDVLQGS-LLVKDONJSA-N 2 2 250.346 0.872 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC([NH+](C)C)C1 ZINC000629989573 369876252 /nfs/dbraw/zinc/87/62/52/369876252.db2.gz BDGNCCOMTMCHMR-KIDURHIOSA-N 2 2 262.357 0.732 20 0 CCADLP CO[C@@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)[C@@](C)(C[NH3+])C1 ZINC000630371580 370073587 /nfs/dbraw/zinc/07/35/87/370073587.db2.gz ACXTYQCRMXYQBJ-SWLSCSKDSA-N 2 2 288.351 0.913 20 0 CCADLP Cc1[nH+]c(-c2ccncc2)nc(NC[C@H]2COCC[NH2+]2)c1C ZINC000630531158 370151559 /nfs/dbraw/zinc/15/15/59/370151559.db2.gz CBZDREBZSILTHO-AWEZNQCLSA-N 2 2 299.378 0.978 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000630923513 370321699 /nfs/dbraw/zinc/32/16/99/370321699.db2.gz VIQNLYLKJFSMPS-UHFFFAOYSA-N 2 2 276.344 0.108 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000631001004 370356073 /nfs/dbraw/zinc/35/60/73/370356073.db2.gz KXVWWAWCJPDXPJ-VWYCJHECSA-N 2 2 251.334 0.403 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000631001003 370356188 /nfs/dbraw/zinc/35/61/88/370356188.db2.gz KXVWWAWCJPDXPJ-OUAUKWLOSA-N 2 2 251.334 0.403 20 0 CCADLP Cc1nc(NC[C@H](c2cccs2)[NH+](C)C)nc(N)[nH+]1 ZINC000631036095 370365177 /nfs/dbraw/zinc/36/51/77/370365177.db2.gz FOIABRDLKGSZIQ-SECBINFHSA-N 2 2 278.385 0.791 20 0 CCADLP Cc1nc(NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)nc(N)[nH+]1 ZINC000631058358 370371107 /nfs/dbraw/zinc/37/11/07/370371107.db2.gz BSYKTAFNHJVWMO-VHSXEESVSA-N 2 2 264.377 0.547 20 0 CCADLP Cc1nc(NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)nc(N)[nH+]1 ZINC000631058358 370371113 /nfs/dbraw/zinc/37/11/13/370371113.db2.gz BSYKTAFNHJVWMO-VHSXEESVSA-N 2 2 264.377 0.547 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]Cc2cn(C[C@H]3CCOC3)nn2)CC[N@@H+]1C ZINC000631080862 370377819 /nfs/dbraw/zinc/37/78/19/370377819.db2.gz ZWEAMIQMQMFGHJ-MGPQQGTHSA-N 2 2 293.415 0.887 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]Cc2cn(C[C@H]3CCOC3)nn2)CC[N@H+]1C ZINC000631080862 370377826 /nfs/dbraw/zinc/37/78/26/370377826.db2.gz ZWEAMIQMQMFGHJ-MGPQQGTHSA-N 2 2 293.415 0.887 20 0 CCADLP COCC[NH+]1CCC(Nc2nc(C)[nH+]c(N)n2)CC1 ZINC000631076321 370378113 /nfs/dbraw/zinc/37/81/13/370378113.db2.gz XRIMQQIQTSTGJU-UHFFFAOYSA-N 2 2 266.349 0.115 20 0 CCADLP COCC[NH+]1CCC(Nc2nc(N)nc(C)[nH+]2)CC1 ZINC000631076321 370378117 /nfs/dbraw/zinc/37/81/17/370378117.db2.gz XRIMQQIQTSTGJU-UHFFFAOYSA-N 2 2 266.349 0.115 20 0 CCADLP COCCc1ncc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)s1 ZINC000631111916 370386269 /nfs/dbraw/zinc/38/62/69/370386269.db2.gz LOBYAMFSCKQLKS-ZDUSSCGKSA-N 2 2 285.413 0.488 20 0 CCADLP COCCc1ncc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)s1 ZINC000631111916 370386274 /nfs/dbraw/zinc/38/62/74/370386274.db2.gz LOBYAMFSCKQLKS-ZDUSSCGKSA-N 2 2 285.413 0.488 20 0 CCADLP Cc1nc(NCC[NH+]2[C@@H](C)CCC[C@@H]2C)nc(N)[nH+]1 ZINC000631110059 370387335 /nfs/dbraw/zinc/38/73/35/370387335.db2.gz GOFCCAIFTXRORF-UWVGGRQHSA-N 2 2 264.377 0.689 20 0 CCADLP Cc1nc(NCCCC[N@@H+](C)C2CC2)nc(N)[nH+]1 ZINC000631304761 370465453 /nfs/dbraw/zinc/46/54/53/370465453.db2.gz HTEIDGXUDLZIQY-UHFFFAOYSA-N 2 2 250.350 0.301 20 0 CCADLP Cc1nc(NCCCC[N@H+](C)C2CC2)nc(N)[nH+]1 ZINC000631304761 370465456 /nfs/dbraw/zinc/46/54/56/370465456.db2.gz HTEIDGXUDLZIQY-UHFFFAOYSA-N 2 2 250.350 0.301 20 0 CCADLP Cc1nc(N)nc(NCCCC[N@@H+](C)C2CC2)[nH+]1 ZINC000631304761 370465460 /nfs/dbraw/zinc/46/54/60/370465460.db2.gz HTEIDGXUDLZIQY-UHFFFAOYSA-N 2 2 250.350 0.301 20 0 CCADLP Cc1nc(N)nc(NCCCC[N@H+](C)C2CC2)[nH+]1 ZINC000631304761 370465463 /nfs/dbraw/zinc/46/54/63/370465463.db2.gz HTEIDGXUDLZIQY-UHFFFAOYSA-N 2 2 250.350 0.301 20 0 CCADLP O[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000631673382 370631368 /nfs/dbraw/zinc/63/13/68/370631368.db2.gz QHMLYLSTQFTJCQ-LSDHHAIUSA-N 2 2 277.368 0.395 20 0 CCADLP CCn1cc[nH+]c1CNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632392545 371031162 /nfs/dbraw/zinc/03/11/62/371031162.db2.gz OKMDODIACRQVJL-UHFFFAOYSA-N 2 2 286.401 0.417 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NS(=O)(=O)CCC[NH+](C)C ZINC000632405763 371041792 /nfs/dbraw/zinc/04/17/92/371041792.db2.gz AAQWEXQOCYGPCY-NSHDSACASA-N 2 2 288.417 0.835 20 0 CCADLP CN(CC[N@H+](C)C1CC1)C(=O)C1([NH+]2CCOCC2)CC1 ZINC000632520692 371120694 /nfs/dbraw/zinc/12/06/94/371120694.db2.gz CIANIOZONFGHRL-UHFFFAOYSA-N 2 2 281.400 0.404 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCc2c[nH+]c(C)nc2N)CC[N@@H+]1C ZINC000633043349 371375079 /nfs/dbraw/zinc/37/50/79/371375079.db2.gz ZAXHNGKXSXIMRT-NWDGAFQWSA-N 2 2 277.372 0.544 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCc2c[nH+]c(C)nc2N)CC[N@H+]1C ZINC000633043349 371375085 /nfs/dbraw/zinc/37/50/85/371375085.db2.gz ZAXHNGKXSXIMRT-NWDGAFQWSA-N 2 2 277.372 0.544 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633054002 371377799 /nfs/dbraw/zinc/37/77/99/371377799.db2.gz YIFNAQFFZXJTFQ-UHFFFAOYSA-N 2 2 283.376 0.519 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633054002 371377802 /nfs/dbraw/zinc/37/78/02/371377802.db2.gz YIFNAQFFZXJTFQ-UHFFFAOYSA-N 2 2 283.376 0.519 20 0 CCADLP CO[C@H]1CN(c2nc[nH+]c3c2OCCN3)[C@](C)(C[NH3+])C1 ZINC000634240542 371964370 /nfs/dbraw/zinc/96/43/70/371964370.db2.gz ZUNGHGRLMUWYCB-RNCFNFMXSA-N 2 2 279.344 0.223 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CC2(O)CCOCC2)C[N@@H+]1C1CC1 ZINC000634707459 372152043 /nfs/dbraw/zinc/15/20/43/372152043.db2.gz GRQMLPOTYWOYPI-UMVBOHGHSA-N 2 2 298.427 0.494 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CC2(O)CCOCC2)C[N@H+]1C1CC1 ZINC000634707459 372152048 /nfs/dbraw/zinc/15/20/48/372152048.db2.gz GRQMLPOTYWOYPI-UMVBOHGHSA-N 2 2 298.427 0.494 20 0 CCADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)C1 ZINC000634723077 372170374 /nfs/dbraw/zinc/17/03/74/372170374.db2.gz ZPUCFRDEQJBYBG-SOUVJXGZSA-N 2 2 270.417 0.972 20 0 CCADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)C1 ZINC000634723077 372170383 /nfs/dbraw/zinc/17/03/83/372170383.db2.gz ZPUCFRDEQJBYBG-SOUVJXGZSA-N 2 2 270.417 0.972 20 0 CCADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccon3)CC2)CC1 ZINC000634731804 372176736 /nfs/dbraw/zinc/17/67/36/372176736.db2.gz NACYWFKWJVWTPC-UHFFFAOYSA-N 2 2 292.383 0.661 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCO[C@H](C(F)F)CC2)CC1 ZINC000634751790 372198779 /nfs/dbraw/zinc/19/87/79/372198779.db2.gz XTUMFRWRKAJHEP-NSHDSACASA-N 2 2 291.342 0.116 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCO[C@H](C(F)F)CC2)CC1 ZINC000634751790 372198785 /nfs/dbraw/zinc/19/87/85/372198785.db2.gz XTUMFRWRKAJHEP-NSHDSACASA-N 2 2 291.342 0.116 20 0 CCADLP c1cncc(C[NH2+]CCC[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC000634994545 372330788 /nfs/dbraw/zinc/33/07/88/372330788.db2.gz HACSOTHTDCALFQ-UHFFFAOYSA-N 3 2 260.385 0.903 20 0 CCADLP CCc1c[nH]c(CC(=O)NC2CC[NH+](C)CC2)[nH+]1 ZINC000635131530 372386133 /nfs/dbraw/zinc/38/61/33/372386133.db2.gz YVUTXQWLYRKORE-UHFFFAOYSA-N 2 2 250.346 0.725 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CCN(CC[NH+](C)C)CC2)[nH+]1 ZINC000635135081 372389503 /nfs/dbraw/zinc/38/95/03/372389503.db2.gz BCHXZQHXUIZKGZ-UHFFFAOYSA-N 2 2 293.415 0.220 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC000635500214 372563247 /nfs/dbraw/zinc/56/32/47/372563247.db2.gz DIUSWHBHBZKVST-CHWSQXEVSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC000635500214 372563249 /nfs/dbraw/zinc/56/32/49/372563249.db2.gz DIUSWHBHBZKVST-CHWSQXEVSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635500214 372563251 /nfs/dbraw/zinc/56/32/51/372563251.db2.gz DIUSWHBHBZKVST-CHWSQXEVSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635500214 372563254 /nfs/dbraw/zinc/56/32/54/372563254.db2.gz DIUSWHBHBZKVST-CHWSQXEVSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC000635516923 372580405 /nfs/dbraw/zinc/58/04/05/372580405.db2.gz JGGRAABPUAZBSM-ZDUSSCGKSA-N 2 2 285.432 0.489 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC000635516923 372580411 /nfs/dbraw/zinc/58/04/11/372580411.db2.gz JGGRAABPUAZBSM-ZDUSSCGKSA-N 2 2 285.432 0.489 20 0 CCADLP COCC[NH+]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000635556767 372623893 /nfs/dbraw/zinc/62/38/93/372623893.db2.gz SCWAYMMHLIGORV-UHFFFAOYSA-N 2 2 294.399 0.797 20 0 CCADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000635714579 372804096 /nfs/dbraw/zinc/80/40/96/372804096.db2.gz CPHYOMOTVCYMKC-QWRGUYRKSA-N 2 2 262.357 0.725 20 0 CCADLP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000635714579 372804099 /nfs/dbraw/zinc/80/40/99/372804099.db2.gz CPHYOMOTVCYMKC-QWRGUYRKSA-N 2 2 262.357 0.725 20 0 CCADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000635714579 372804102 /nfs/dbraw/zinc/80/41/02/372804102.db2.gz CPHYOMOTVCYMKC-QWRGUYRKSA-N 2 2 262.357 0.725 20 0 CCADLP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000635714579 372804107 /nfs/dbraw/zinc/80/41/07/372804107.db2.gz CPHYOMOTVCYMKC-QWRGUYRKSA-N 2 2 262.357 0.725 20 0 CCADLP CCc1c[nH]c(CC(=O)N(C)CCC[NH+](C)C)[nH+]1 ZINC000635768686 372882059 /nfs/dbraw/zinc/88/20/59/372882059.db2.gz RASAMZDVVMGGFX-UHFFFAOYSA-N 2 2 252.362 0.925 20 0 CCADLP CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@@H+]1CCO ZINC000635832275 372972880 /nfs/dbraw/zinc/97/28/80/372972880.db2.gz VKDKZPHSVURDOR-VXGBXAGGSA-N 2 2 292.383 0.428 20 0 CCADLP CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@H+]1CCO ZINC000635832275 372972883 /nfs/dbraw/zinc/97/28/83/372972883.db2.gz VKDKZPHSVURDOR-VXGBXAGGSA-N 2 2 292.383 0.428 20 0 CCADLP CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@@H+]1CCO ZINC000635832275 372972893 /nfs/dbraw/zinc/97/28/93/372972893.db2.gz VKDKZPHSVURDOR-VXGBXAGGSA-N 2 2 292.383 0.428 20 0 CCADLP CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@H+]1CCO ZINC000635832275 372972897 /nfs/dbraw/zinc/97/28/97/372972897.db2.gz VKDKZPHSVURDOR-VXGBXAGGSA-N 2 2 292.383 0.428 20 0 CCADLP OCc1cc(-n2cc(C[N@H+]3CCC[C@@H]3CO)nn2)cc[nH+]1 ZINC000656459122 412805451 /nfs/dbraw/zinc/80/54/51/412805451.db2.gz OPAHAVHSYLVIJG-CQSZACIVSA-N 2 2 289.339 0.111 20 0 CCADLP OCc1cc(-n2cc(C[N@@H+]3CCC[C@@H]3CO)nn2)cc[nH+]1 ZINC000656459122 412805453 /nfs/dbraw/zinc/80/54/53/412805453.db2.gz OPAHAVHSYLVIJG-CQSZACIVSA-N 2 2 289.339 0.111 20 0 CCADLP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000635986208 373207719 /nfs/dbraw/zinc/20/77/19/373207719.db2.gz MSHOXBBHXWKZRK-LBPRGKRZSA-N 2 2 292.383 0.282 20 0 CCADLP CC1CC[NH+](CCNC(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1 ZINC000636554807 373639077 /nfs/dbraw/zinc/63/90/77/373639077.db2.gz AERRPMCHSWNOOB-ZDUSSCGKSA-N 2 2 291.399 0.839 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCCC[NH+]1CCCCC1 ZINC000636492171 373620700 /nfs/dbraw/zinc/62/07/00/373620700.db2.gz IPDSUYFXOCEZSO-AWEZNQCLSA-N 2 2 298.431 0.492 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCCC[NH+]1CCCCC1 ZINC000636492171 373620702 /nfs/dbraw/zinc/62/07/02/373620702.db2.gz IPDSUYFXOCEZSO-AWEZNQCLSA-N 2 2 298.431 0.492 20 0 CCADLP CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000636630854 373684245 /nfs/dbraw/zinc/68/42/45/373684245.db2.gz FHFWWYAEIRSDPT-STQMWFEESA-N 2 2 291.399 0.839 20 0 CCADLP CCC[N@H+]1CC[C@@H](CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000636630854 373684254 /nfs/dbraw/zinc/68/42/54/373684254.db2.gz FHFWWYAEIRSDPT-STQMWFEESA-N 2 2 291.399 0.839 20 0 CCADLP CC[NH+](CC)C[C@@H](C)NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636652420 373694270 /nfs/dbraw/zinc/69/42/70/373694270.db2.gz LCGINRIHEKENHV-NEPJUHHUSA-N 2 2 279.388 0.837 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636666093 373697609 /nfs/dbraw/zinc/69/76/09/373697609.db2.gz UQSKLHZMLOFYAC-QWRGUYRKSA-N 2 2 265.361 0.447 20 0 CCADLP CCN(C(=O)NC[C@@H]1COCC[NH+]1C)[C@@H]1CC[N@H+](CC)C1 ZINC000637439808 374151938 /nfs/dbraw/zinc/15/19/38/374151938.db2.gz CQWUCNXDVNUEHE-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP CCN(C(=O)NC[C@@H]1COCC[NH+]1C)[C@@H]1CC[N@@H+](CC)C1 ZINC000637439808 374151948 /nfs/dbraw/zinc/15/19/48/374151948.db2.gz CQWUCNXDVNUEHE-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP CCN(C(=O)NC[C@@H]1COCC[N@@H+]1C)[C@@H]1CC[NH+](CC)C1 ZINC000637439808 374151953 /nfs/dbraw/zinc/15/19/53/374151953.db2.gz CQWUCNXDVNUEHE-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP CCN(C(=O)NC[C@@H]1COCC[N@H+]1C)[C@@H]1CC[NH+](CC)C1 ZINC000637439808 374151959 /nfs/dbraw/zinc/15/19/59/374151959.db2.gz CQWUCNXDVNUEHE-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000637442684 374165067 /nfs/dbraw/zinc/16/50/67/374165067.db2.gz GFSJEZIIBXMTAK-KGLIPLIRSA-N 2 2 298.431 0.300 20 0 CCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000637442684 374165074 /nfs/dbraw/zinc/16/50/74/374165074.db2.gz GFSJEZIIBXMTAK-KGLIPLIRSA-N 2 2 298.431 0.300 20 0 CCADLP CC[NH+](C)C[C@H]1CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000637442684 374165082 /nfs/dbraw/zinc/16/50/82/374165082.db2.gz GFSJEZIIBXMTAK-KGLIPLIRSA-N 2 2 298.431 0.300 20 0 CCADLP CC[NH+](C)C[C@H]1CCN(C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000637442684 374165092 /nfs/dbraw/zinc/16/50/92/374165092.db2.gz GFSJEZIIBXMTAK-KGLIPLIRSA-N 2 2 298.431 0.300 20 0 CCADLP C[NH+](C)C[C@H]1CN(Cc2cc3c(c[nH+]2)OCCO3)CCO1 ZINC000637819620 374356570 /nfs/dbraw/zinc/35/65/70/374356570.db2.gz JJWIREAMESQODB-ZDUSSCGKSA-N 2 2 293.367 0.615 20 0 CCADLP CC(C)[N@@H+]1CCCN(Cc2c[nH+]c(N)nc2N)CC1 ZINC000637830398 374372815 /nfs/dbraw/zinc/37/28/15/374372815.db2.gz YLKNVNDXUBBNIZ-UHFFFAOYSA-N 2 2 264.377 0.218 20 0 CCADLP CC(C)[N@H+]1CCCN(Cc2c[nH+]c(N)nc2N)CC1 ZINC000637830398 374372820 /nfs/dbraw/zinc/37/28/20/374372820.db2.gz YLKNVNDXUBBNIZ-UHFFFAOYSA-N 2 2 264.377 0.218 20 0 CCADLP C[C@@H](CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C(F)(F)F ZINC000637864129 374425265 /nfs/dbraw/zinc/42/52/65/374425265.db2.gz MUTOBAWRXWLSTD-DTWKUNHWSA-N 2 2 267.295 0.676 20 0 CCADLP C[C@@H](CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C(F)(F)F ZINC000637864129 374425273 /nfs/dbraw/zinc/42/52/73/374425273.db2.gz MUTOBAWRXWLSTD-DTWKUNHWSA-N 2 2 267.295 0.676 20 0 CCADLP [NH3+]C[C@]1(C(=O)NCCCn2cc[nH+]c2)CCCOC1 ZINC000638048246 374589777 /nfs/dbraw/zinc/58/97/77/374589777.db2.gz PLFQGRDZFYJXFF-CYBMUJFWSA-N 2 2 266.345 0.145 20 0 CCADLP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1Cc1c[nH+]c(N)nc1N ZINC000638053708 374596986 /nfs/dbraw/zinc/59/69/86/374596986.db2.gz AGMVEWIQJSAPTI-NEPJUHHUSA-N 2 2 276.388 0.360 20 0 CCADLP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1Cc1c[nH+]c(N)nc1N ZINC000638053708 374596993 /nfs/dbraw/zinc/59/69/93/374596993.db2.gz AGMVEWIQJSAPTI-NEPJUHHUSA-N 2 2 276.388 0.360 20 0 CCADLP C[C@H](CNC(=O)[C@]1(C[NH3+])CCCOC1)Cn1cc[nH+]c1 ZINC000638075110 374629985 /nfs/dbraw/zinc/62/99/85/374629985.db2.gz CAEOOPHGNFDFJC-OCCSQVGLSA-N 2 2 280.372 0.391 20 0 CCADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000638077970 374634431 /nfs/dbraw/zinc/63/44/31/374634431.db2.gz ZMEYAEZSCZWGDO-XUJVJEKNSA-N 2 2 292.383 0.883 20 0 CCADLP O=C(CN1CC[NH2+]CC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000638091536 374653306 /nfs/dbraw/zinc/65/33/06/374653306.db2.gz XDTLZFWCKHKRGJ-UHFFFAOYSA-N 2 2 277.372 0.021 20 0 CCADLP [NH3+][C@H]1CC=C(C(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000638136502 374707290 /nfs/dbraw/zinc/70/72/90/374707290.db2.gz HNYJGLCWMRULIO-AWEZNQCLSA-N 2 2 286.379 0.773 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)[nH+]1 ZINC000638176564 374761177 /nfs/dbraw/zinc/76/11/77/374761177.db2.gz DGGFJNPWGCIRGK-GXSJLCMTSA-N 2 2 250.346 0.629 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)CC2 ZINC000638157244 374730322 /nfs/dbraw/zinc/73/03/22/374730322.db2.gz KRZOGNIZIQHEDW-KGYLQXTDSA-N 2 2 276.384 0.963 20 0 CCADLP CO[C@H](C[NH2+]CCCn1cc[nH+]c1)[C@H]1CCOC1 ZINC000638285640 374893388 /nfs/dbraw/zinc/89/33/88/374893388.db2.gz JAAAPOZPXCEDAC-QWHCGFSZSA-N 2 2 253.346 0.914 20 0 CCADLP C[C@@]1(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C[NH2+]CCO1 ZINC000638289614 374898053 /nfs/dbraw/zinc/89/80/53/374898053.db2.gz LKCADMVAFIFBAT-DOMZBBRYSA-N 2 2 290.367 0.155 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)CC2 ZINC000638246855 374838475 /nfs/dbraw/zinc/83/84/75/374838475.db2.gz GKEXTLHWJWEZPI-SRVKXCTJSA-N 2 2 280.347 0.570 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000638257655 374854434 /nfs/dbraw/zinc/85/44/34/374854434.db2.gz CGSPXAMKRZKTNJ-QWRGUYRKSA-N 2 2 250.346 0.607 20 0 CCADLP CC(C)[N@H+](C)CCC[NH2+]Cc1cnc(N)nc1N ZINC000638338170 374939687 /nfs/dbraw/zinc/93/96/87/374939687.db2.gz SLPJLNRRCUZXHA-UHFFFAOYSA-N 2 2 252.366 0.122 20 0 CCADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1cnc(N)nc1N ZINC000638338170 374939693 /nfs/dbraw/zinc/93/96/93/374939693.db2.gz SLPJLNRRCUZXHA-UHFFFAOYSA-N 2 2 252.366 0.122 20 0 CCADLP O[C@H](C[NH2+]Cc1cc2c(cn1)OCCO2)C[NH+]1CCCC1 ZINC000638411449 375007923 /nfs/dbraw/zinc/00/79/23/375007923.db2.gz IRWIRNZOBUCVAL-CYBMUJFWSA-N 2 2 293.367 0.399 20 0 CCADLP COC[C@@]1(C(=O)N[C@@H](C)c2[nH+]ccn2C)CCCC[NH2+]1 ZINC000638429657 375028443 /nfs/dbraw/zinc/02/84/43/375028443.db2.gz MLHWDZROVPQMPP-SMDDNHRTSA-N 2 2 280.372 0.756 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000638433064 375033815 /nfs/dbraw/zinc/03/38/15/375033815.db2.gz VSLGOTHLHYTKRE-KOLCDFICSA-N 2 2 250.346 0.478 20 0 CCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000638491522 375084819 /nfs/dbraw/zinc/08/48/19/375084819.db2.gz GTNAIQJONWSEJJ-OLZOCXBDSA-N 2 2 276.384 0.902 20 0 CCADLP CCN(CC[NH3+])C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000638511972 375101418 /nfs/dbraw/zinc/10/14/18/375101418.db2.gz DDGSKWJLDMWGSG-UHFFFAOYSA-N 2 2 274.324 0.999 20 0 CCADLP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000638631720 375236631 /nfs/dbraw/zinc/23/66/31/375236631.db2.gz WQCMYLWGVDOOHS-HHHUOAJASA-N 2 2 257.378 0.194 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)[nH+]1 ZINC000638640311 375244218 /nfs/dbraw/zinc/24/42/18/375244218.db2.gz QSLLJGBOPYCMGB-GXSJLCMTSA-N 2 2 250.346 0.771 20 0 CCADLP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@@H]2COCC[N@H+]2C)cc1 ZINC000638610792 375192219 /nfs/dbraw/zinc/19/22/19/375192219.db2.gz KUTZKNBBLZUDDB-ZIAGYGMSSA-N 2 2 277.368 0.442 20 0 CCADLP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@@H]2COCC[N@@H+]2C)cc1 ZINC000638610792 375192228 /nfs/dbraw/zinc/19/22/28/375192228.db2.gz KUTZKNBBLZUDDB-ZIAGYGMSSA-N 2 2 277.368 0.442 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C[NH2+]1 ZINC000638652780 375256534 /nfs/dbraw/zinc/25/65/34/375256534.db2.gz UVUXBPQGBRPNKX-IPYPFGDCSA-N 2 2 295.427 0.887 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C[NH2+]1 ZINC000638652780 375256538 /nfs/dbraw/zinc/25/65/38/375256538.db2.gz UVUXBPQGBRPNKX-IPYPFGDCSA-N 2 2 295.427 0.887 20 0 CCADLP O=C(NC[C@@H]1COCC[NH2+]1)C1CC[NH+](CC(F)F)CC1 ZINC000638616926 375208866 /nfs/dbraw/zinc/20/88/66/375208866.db2.gz QKJYTAPDGAGNTN-LLVKDONJSA-N 2 2 291.342 0.068 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC(CCF)CC1 ZINC000638874085 375418786 /nfs/dbraw/zinc/41/87/86/375418786.db2.gz FAZZJOJRFJROHS-GFCCVEGCSA-N 2 2 259.369 0.864 20 0 CCADLP CC1(C)C[NH2+][C@@H]1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638984193 375496717 /nfs/dbraw/zinc/49/67/17/375496717.db2.gz JUYAIPZPZPSPFS-CYBMUJFWSA-N 3 2 289.383 0.428 20 0 CCADLP Cc1[nH]cnc1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638984085 375497516 /nfs/dbraw/zinc/49/75/16/375497516.db2.gz QPFNHWVYDPMDFP-UHFFFAOYSA-N 2 2 286.339 0.775 20 0 CCADLP CC(C)[NH2+]CC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639005240 375514144 /nfs/dbraw/zinc/51/41/44/375514144.db2.gz UTNFDVBPGOXLJK-UHFFFAOYSA-N 2 2 291.399 0.161 20 0 CCADLP CO[C@]1(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)CCOC1 ZINC000639062929 375557540 /nfs/dbraw/zinc/55/75/40/375557540.db2.gz WAQCJOQSWWNGJK-HNNXBMFYSA-N 2 2 292.383 0.713 20 0 CCADLP Cn1c2ccccc2nc1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000639075874 375561092 /nfs/dbraw/zinc/56/10/92/375561092.db2.gz LYKSUEVDYPSXEQ-SNVBAGLBSA-N 2 2 275.356 0.791 20 0 CCADLP CO[C@@H](C[NH2+]CCc1cn(C)c[nH+]1)[C@@H]1CCOC1 ZINC000639255945 375667396 /nfs/dbraw/zinc/66/73/96/375667396.db2.gz QQQKCFFTRFUSMQ-YPMHNXCESA-N 2 2 253.346 0.604 20 0 CCADLP Cn1c[nH+]c(CC[NH2+]Cc2ccc(S(N)(=O)=O)cc2)c1 ZINC000639255409 375668337 /nfs/dbraw/zinc/66/83/37/375668337.db2.gz GBNUCCRCPCDYAI-UHFFFAOYSA-N 2 2 294.380 0.400 20 0 CCADLP CC(C)OC[C@@H](CO)[N@H+](C)CCc1c[nH+]cn1C ZINC000639612099 375860605 /nfs/dbraw/zinc/86/06/05/375860605.db2.gz HDNUQGBAWMJWNC-CYBMUJFWSA-N 2 2 255.362 0.680 20 0 CCADLP CC(C)OC[C@@H](CO)[N@@H+](C)CCc1c[nH+]cn1C ZINC000639612099 375860609 /nfs/dbraw/zinc/86/06/09/375860609.db2.gz HDNUQGBAWMJWNC-CYBMUJFWSA-N 2 2 255.362 0.680 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH2+]Cc1c(C2CC2)cnn1C ZINC000656708608 412844703 /nfs/dbraw/zinc/84/47/03/412844703.db2.gz HOXLBQNGDIIKOT-LBPRGKRZSA-N 2 2 266.389 0.700 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+]Cc1c(C2CC2)cnn1C ZINC000656708608 412844705 /nfs/dbraw/zinc/84/47/05/412844705.db2.gz HOXLBQNGDIIKOT-LBPRGKRZSA-N 2 2 266.389 0.700 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000639664305 375897234 /nfs/dbraw/zinc/89/72/34/375897234.db2.gz PRTWOWCAISOHJS-AWEZNQCLSA-N 2 2 297.424 0.863 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@]2(CCS(=O)(=O)C2)C1 ZINC000639664305 375897238 /nfs/dbraw/zinc/89/72/38/375897238.db2.gz PRTWOWCAISOHJS-AWEZNQCLSA-N 2 2 297.424 0.863 20 0 CCADLP Cc1nnc([C@H]2CC[N@@H+](CCc3c[nH+]cn3C)C2)[nH]1 ZINC000639676852 375908899 /nfs/dbraw/zinc/90/88/99/375908899.db2.gz AHYMGHICAJBJLV-NSHDSACASA-N 2 2 260.345 0.879 20 0 CCADLP Cc1nnc([C@H]2CC[N@H+](CCc3c[nH+]cn3C)C2)[nH]1 ZINC000639676852 375908902 /nfs/dbraw/zinc/90/89/02/375908902.db2.gz AHYMGHICAJBJLV-NSHDSACASA-N 2 2 260.345 0.879 20 0 CCADLP Cc1n[nH]c([C@H]2CC[N@@H+](CCc3c[nH+]cn3C)C2)n1 ZINC000639676852 375908908 /nfs/dbraw/zinc/90/89/08/375908908.db2.gz AHYMGHICAJBJLV-NSHDSACASA-N 2 2 260.345 0.879 20 0 CCADLP Cc1n[nH]c([C@H]2CC[N@H+](CCc3c[nH+]cn3C)C2)n1 ZINC000639676852 375908915 /nfs/dbraw/zinc/90/89/15/375908915.db2.gz AHYMGHICAJBJLV-NSHDSACASA-N 2 2 260.345 0.879 20 0 CCADLP CC(C)CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764914 375993491 /nfs/dbraw/zinc/99/34/91/375993491.db2.gz XDRLHWDIPOLMCV-GDBMZVCRSA-N 2 2 299.459 0.926 20 0 CCADLP CC(C)CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764914 375993499 /nfs/dbraw/zinc/99/34/99/375993499.db2.gz XDRLHWDIPOLMCV-GDBMZVCRSA-N 2 2 299.459 0.926 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CCC[C@](O)(C[NH+](C)C)C2)CCO1 ZINC000639769315 375999903 /nfs/dbraw/zinc/99/99/03/375999903.db2.gz XUCMUZFJCLGHQR-CABCVRRESA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CCC[C@](O)(C[NH+](C)C)C2)CCO1 ZINC000639769315 375999912 /nfs/dbraw/zinc/99/99/12/375999912.db2.gz XUCMUZFJCLGHQR-CABCVRRESA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)CCO1 ZINC000639769315 375999919 /nfs/dbraw/zinc/99/99/19/375999919.db2.gz XUCMUZFJCLGHQR-CABCVRRESA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)CCO1 ZINC000639769315 375999925 /nfs/dbraw/zinc/99/99/25/375999925.db2.gz XUCMUZFJCLGHQR-CABCVRRESA-N 2 2 285.432 0.096 20 0 CCADLP C[NH2+]CCC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000261658644 190042501 /nfs/dbraw/zinc/04/25/01/190042501.db2.gz YZOPMHQDQSIIPU-HNNXBMFYSA-N 2 2 291.395 0.613 20 0 CCADLP C[NH2+]CCC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000261658644 190042502 /nfs/dbraw/zinc/04/25/02/190042502.db2.gz YZOPMHQDQSIIPU-HNNXBMFYSA-N 2 2 291.395 0.613 20 0 CCADLP C[NH2+][C@@H](C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000568901174 291633643 /nfs/dbraw/zinc/63/36/43/291633643.db2.gz OFQGHLKERLVSKR-NSHDSACASA-N 2 2 262.357 0.906 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCCN2CCOCC2)C1 ZINC000639761857 375987353 /nfs/dbraw/zinc/98/73/53/375987353.db2.gz FLJGIRSUDGSZTQ-OAHLLOKOSA-N 2 2 285.432 0.097 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCCN2CCOCC2)C1 ZINC000639761857 375987363 /nfs/dbraw/zinc/98/73/63/375987363.db2.gz FLJGIRSUDGSZTQ-OAHLLOKOSA-N 2 2 285.432 0.097 20 0 CCADLP C[NH+](C)C[C@]1(O)CCCN(CCC[NH+]2CCOCC2)C1 ZINC000639761857 375987371 /nfs/dbraw/zinc/98/73/71/375987371.db2.gz FLJGIRSUDGSZTQ-OAHLLOKOSA-N 2 2 285.432 0.097 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000639855992 376082925 /nfs/dbraw/zinc/08/29/25/376082925.db2.gz QVEBKFPXGOAKTC-CYBMUJFWSA-N 2 2 276.344 0.184 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000639855992 376082930 /nfs/dbraw/zinc/08/29/30/376082930.db2.gz QVEBKFPXGOAKTC-CYBMUJFWSA-N 2 2 276.344 0.184 20 0 CCADLP C[C@H]1C[C@H](C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000640051579 376215787 /nfs/dbraw/zinc/21/57/87/376215787.db2.gz QXLVKXXVZSQCMM-UONOGXRCSA-N 2 2 283.416 0.507 20 0 CCADLP CC(C)CC[C@H](O)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051287 376216256 /nfs/dbraw/zinc/21/62/56/376216256.db2.gz MPOYVWZJWUPPRN-AWEZNQCLSA-N 2 2 285.432 0.489 20 0 CCADLP CC(C)CC[C@H](O)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051287 376216261 /nfs/dbraw/zinc/21/62/61/376216261.db2.gz MPOYVWZJWUPPRN-AWEZNQCLSA-N 2 2 285.432 0.489 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC(F)F ZINC000640198626 376270191 /nfs/dbraw/zinc/27/01/91/376270191.db2.gz LKCHETRVJYZMCK-UHFFFAOYSA-N 2 2 292.374 0.919 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC(F)F ZINC000640198626 376270200 /nfs/dbraw/zinc/27/02/00/376270200.db2.gz LKCHETRVJYZMCK-UHFFFAOYSA-N 2 2 292.374 0.919 20 0 CCADLP O=C(N[C@H](CO)C[NH+]1CCCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000640320346 376308905 /nfs/dbraw/zinc/30/89/05/376308905.db2.gz PLVTVXZTKFPLJM-OLZOCXBDSA-N 2 2 292.383 0.018 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000262806600 190063197 /nfs/dbraw/zinc/06/31/97/190063197.db2.gz FNWHSOFTONLXIT-CYBMUJFWSA-N 2 2 292.383 0.662 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000262923821 190065086 /nfs/dbraw/zinc/06/50/86/190065086.db2.gz SAPGQMVFPSGECJ-GFCCVEGCSA-N 2 2 276.340 0.623 20 0 CCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C2([NH3+])CC2)C1 ZINC000334327170 206376077 /nfs/dbraw/zinc/37/60/77/206376077.db2.gz LRBZHHAZTKVKON-NSHDSACASA-N 2 2 262.357 0.693 20 0 CCADLP Cc1cccn2cc(Cn3cc(C[C@H]([NH3+])CO)nn3)[nH+]c12 ZINC000640953102 376636830 /nfs/dbraw/zinc/63/68/30/376636830.db2.gz MLNSKOXDZMJFJR-NSHDSACASA-N 2 2 286.339 0.145 20 0 CCADLP C[NH2+]C(C)(C)c1cn(CC[NH+]2CCOCC2)nn1 ZINC000641032503 376688965 /nfs/dbraw/zinc/68/89/65/376688965.db2.gz BLMCWBLCRXLMSW-UHFFFAOYSA-N 2 2 253.350 0.065 20 0 CCADLP Nc1cc(Cn2cc(C[NH+]3CCSCC3)nn2)cc[nH+]1 ZINC000641068216 376736480 /nfs/dbraw/zinc/73/64/80/376736480.db2.gz KHAXYOFJBCNXJL-UHFFFAOYSA-N 2 2 290.396 0.683 20 0 CCADLP Cc1ccc(Cn2cc(COCC[NH3+])nn2)c(C)[nH+]1 ZINC000641095042 376773785 /nfs/dbraw/zinc/77/37/85/376773785.db2.gz FHJDDCLUFMDSBB-UHFFFAOYSA-N 2 2 261.329 0.814 20 0 CCADLP Cc1[nH+]ccn1CCCCn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000641150387 376811692 /nfs/dbraw/zinc/81/16/92/376811692.db2.gz INTHZFUTLUBWBQ-CQSZACIVSA-N 2 2 290.371 0.924 20 0 CCADLP CN(C)c1ccc(Cn2cc(C[C@@H]3CC[NH2+]C3)nn2)c[nH+]1 ZINC000641178137 376848328 /nfs/dbraw/zinc/84/83/28/376848328.db2.gz PDZIMYVXPUFNLS-LBPRGKRZSA-N 2 2 286.383 0.939 20 0 CCADLP CC(C)(C)[C@H]([NH3+])c1cn(C[C@@H](O)C[NH+]2CCOCC2)nn1 ZINC000641209491 376883614 /nfs/dbraw/zinc/88/36/14/376883614.db2.gz YHRGDBNTMNRRPK-WCQYABFASA-N 2 2 297.403 0.017 20 0 CCADLP CC[N@H+](C)C[C@H](O)Cn1cc(C[NH+]2CCSCC2)nn1 ZINC000641224485 376919515 /nfs/dbraw/zinc/91/95/15/376919515.db2.gz ZUOQDBRGVRJYDB-ZDUSSCGKSA-N 2 2 299.444 0.140 20 0 CCADLP CC[N@@H+](C)C[C@H](O)Cn1cc(C[NH+]2CCSCC2)nn1 ZINC000641224485 376919521 /nfs/dbraw/zinc/91/95/21/376919521.db2.gz ZUOQDBRGVRJYDB-ZDUSSCGKSA-N 2 2 299.444 0.140 20 0 CCADLP C[NH+](C)CCNS(=O)(=O)c1cccc2c1CC[N@H+](C)C2 ZINC000641250665 376940030 /nfs/dbraw/zinc/94/00/30/376940030.db2.gz HUULJRYHPUKIIS-UHFFFAOYSA-N 2 2 297.424 0.514 20 0 CCADLP C[NH+](C)CCNS(=O)(=O)c1cccc2c1CC[N@@H+](C)C2 ZINC000641250665 376940040 /nfs/dbraw/zinc/94/00/40/376940040.db2.gz HUULJRYHPUKIIS-UHFFFAOYSA-N 2 2 297.424 0.514 20 0 CCADLP C[C@@H]1C[C@H](NS(=O)(=O)CCn2cc[nH+]c2)C[N@@H+]1C1CC1 ZINC000641375391 377048003 /nfs/dbraw/zinc/04/80/03/377048003.db2.gz FZGIMIFXOHZWTR-NEPJUHHUSA-N 2 2 298.412 0.428 20 0 CCADLP C[C@@H]1C[C@H](NS(=O)(=O)CCn2cc[nH+]c2)C[N@H+]1C1CC1 ZINC000641375391 377048005 /nfs/dbraw/zinc/04/80/05/377048005.db2.gz FZGIMIFXOHZWTR-NEPJUHHUSA-N 2 2 298.412 0.428 20 0 CCADLP C[NH+](C)C[C@@H]1CCN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641329005 376999713 /nfs/dbraw/zinc/99/97/13/376999713.db2.gz NDEYMPOGTQQEIB-LBPRGKRZSA-N 2 2 286.401 0.096 20 0 CCADLP C[C@@H]([NH3+])CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000641476599 377159712 /nfs/dbraw/zinc/15/97/12/377159712.db2.gz SKTSAENEVNMJEE-ZYHUDNBSSA-N 2 2 264.329 0.592 20 0 CCADLP CCn1nncc1C[NH2+][C@@H](CO)CC[NH+](CC)CC ZINC000641770016 377454130 /nfs/dbraw/zinc/45/41/30/377454130.db2.gz HWWFEJALAYJBAT-GFCCVEGCSA-N 2 2 269.393 0.480 20 0 CCADLP CCOC[C@H](C)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641786243 377463577 /nfs/dbraw/zinc/46/35/77/377463577.db2.gz JPPZLBXOQXFAAU-JKSUJKDBSA-N 2 2 299.459 0.798 20 0 CCADLP CCc1nc(C)c(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)o1 ZINC000641795963 377466945 /nfs/dbraw/zinc/46/69/45/377466945.db2.gz BYCKBWYTBGLDAE-UHFFFAOYSA-N 2 2 280.372 0.409 20 0 CCADLP CCc1nc(C)c(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)o1 ZINC000641795963 377466953 /nfs/dbraw/zinc/46/69/53/377466953.db2.gz BYCKBWYTBGLDAE-UHFFFAOYSA-N 2 2 280.372 0.409 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cc(=O)n(C)c(=O)n2C)[C@@H]1C ZINC000641808841 377480461 /nfs/dbraw/zinc/48/04/61/377480461.db2.gz OEZQLERXCSICMN-UTUOFQBUSA-N 2 2 294.399 0.032 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)[C@@H]1C ZINC000641808841 377480468 /nfs/dbraw/zinc/48/04/68/377480468.db2.gz OEZQLERXCSICMN-UTUOFQBUSA-N 2 2 294.399 0.032 20 0 CCADLP COc1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cn1 ZINC000422965866 249011703 /nfs/dbraw/zinc/01/17/03/249011703.db2.gz PXLKCPCVAYULCV-UKRRQHHQSA-N 2 2 277.368 0.947 20 0 CCADLP CN(CCC[N@H+](C)CCc1c[nH+]cn1C)CC[NH+](C)C ZINC000459521914 249041059 /nfs/dbraw/zinc/04/10/59/249041059.db2.gz HGNNJTFOMWVNOV-UHFFFAOYSA-N 3 2 281.448 0.778 20 0 CCADLP CN(CCC[N@@H+](C)CCc1c[nH+]cn1C)CC[NH+](C)C ZINC000459521914 249041063 /nfs/dbraw/zinc/04/10/63/249041063.db2.gz HGNNJTFOMWVNOV-UHFFFAOYSA-N 3 2 281.448 0.778 20 0 CCADLP C[NH+](C)CC(C)(C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000459551215 249042529 /nfs/dbraw/zinc/04/25/29/249042529.db2.gz RUBPAFLXCVEFNS-UHFFFAOYSA-N 3 2 270.421 0.080 20 0 CCADLP O=C1C[C@@H]([NH2+][C@H]2CC[NH2+]C2)CN1CCOc1ccccc1 ZINC000514660417 249096627 /nfs/dbraw/zinc/09/66/27/249096627.db2.gz JPLHJIRRLLMFGW-UONOGXRCSA-N 2 2 289.379 0.618 20 0 CCADLP C[C@@H]([NH3+])C1CC[NH+](Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC000514673172 249097587 /nfs/dbraw/zinc/09/75/87/249097587.db2.gz YAAIBPLAITYKHK-SECBINFHSA-N 3 2 267.377 0.823 20 0 CCADLP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000516273923 249157803 /nfs/dbraw/zinc/15/78/03/249157803.db2.gz BGHRPJJZVCDSHO-ATGSNQNLSA-N 3 2 267.417 0.861 20 0 CCADLP Cn1c2ccc(C[NH2+]C[C@H]3C[NH2+]CCO3)cc2sc1=O ZINC000516957957 249193151 /nfs/dbraw/zinc/19/31/51/249193151.db2.gz LBMPZWRRCPHCGZ-LLVKDONJSA-N 2 2 293.392 0.678 20 0 CCADLP C[N@H+]1CCC[C@H](CNC(=O)[C@H]([NH3+])c2cscn2)C1 ZINC000517377565 249217574 /nfs/dbraw/zinc/21/75/74/249217574.db2.gz KAKUDHHLVFOFMZ-MWLCHTKSSA-N 2 2 268.386 0.601 20 0 CCADLP Nc1nc(-n2cccn2)cc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)[nH+]1 ZINC000643031135 377696305 /nfs/dbraw/zinc/69/63/05/377696305.db2.gz HVGXVDJTZOXOFS-WDEREUQCSA-N 2 2 285.355 0.263 20 0 CCADLP CCCNS(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000657071569 412883042 /nfs/dbraw/zinc/88/30/42/412883042.db2.gz QRJVHDKTAAZOIN-LBPRGKRZSA-N 2 2 294.465 0.092 20 0 CCADLP CCCNS(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000657071569 412883044 /nfs/dbraw/zinc/88/30/44/412883044.db2.gz QRJVHDKTAAZOIN-LBPRGKRZSA-N 2 2 294.465 0.092 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN2CC[N@H+](C)C(C)(C)C2)C[C@@H](C)O1 ZINC000574700849 335041065 /nfs/dbraw/zinc/04/10/65/335041065.db2.gz LCCRGYMBSGROSR-RBSFLKMASA-N 2 2 299.459 0.483 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN2CC[N@@H+](C)C(C)(C)C2)C[C@@H](C)O1 ZINC000574700849 335041066 /nfs/dbraw/zinc/04/10/66/335041066.db2.gz LCCRGYMBSGROSR-RBSFLKMASA-N 2 2 299.459 0.483 20 0 CCADLP Cc1nc(C)c(C[NH+]2CCN(C(=O)C[NH+](C)C)CC2)s1 ZINC000266047820 190226519 /nfs/dbraw/zinc/22/65/19/190226519.db2.gz XYUCAIZJYGICPU-UHFFFAOYSA-N 2 2 296.440 0.966 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000569605554 291694204 /nfs/dbraw/zinc/69/42/04/291694204.db2.gz MKQWXKZDFFWKAU-UTUOFQBUSA-N 2 2 296.392 0.691 20 0 CCADLP Cc1nc(F)ccc1C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000278507045 194018175 /nfs/dbraw/zinc/01/81/75/194018175.db2.gz OJTJJISHQZVIPC-ZDUSSCGKSA-N 2 2 266.364 0.865 20 0 CCADLP Cc1nc(F)ccc1C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000278507045 194018176 /nfs/dbraw/zinc/01/81/76/194018176.db2.gz OJTJJISHQZVIPC-ZDUSSCGKSA-N 2 2 266.364 0.865 20 0 CCADLP [NH3+]Cc1ccc(CNC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000570088823 291731979 /nfs/dbraw/zinc/73/19/79/291731979.db2.gz MXULIIWIDSYCMT-UHFFFAOYSA-N 2 2 292.383 0.277 20 0 CCADLP O[C@H](Cn1cccn1)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267467549 190332600 /nfs/dbraw/zinc/33/26/00/190332600.db2.gz WTORQBNVRQTKRX-OLZOCXBDSA-N 2 2 275.356 0.847 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267376870 190325064 /nfs/dbraw/zinc/32/50/64/190325064.db2.gz ACYSQCHDEIYQHB-NSHDSACASA-N 2 2 286.401 0.528 20 0 CCADLP CCS(=O)(=O)NCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267376870 190325065 /nfs/dbraw/zinc/32/50/65/190325065.db2.gz ACYSQCHDEIYQHB-NSHDSACASA-N 2 2 286.401 0.528 20 0 CCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)c1cccc[nH+]1 ZINC000267533407 190336499 /nfs/dbraw/zinc/33/64/99/190336499.db2.gz LPUCZDGENJTGLT-GFCCVEGCSA-N 2 2 251.330 0.211 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1[nH+]ccn1C ZINC000268092779 190376062 /nfs/dbraw/zinc/37/60/62/190376062.db2.gz BGMOVKZYYAGPOC-ZYHUDNBSSA-N 2 2 277.372 0.702 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1[nH+]ccn1C ZINC000268092779 190376063 /nfs/dbraw/zinc/37/60/63/190376063.db2.gz BGMOVKZYYAGPOC-ZYHUDNBSSA-N 2 2 277.372 0.702 20 0 CCADLP O=C(NCCn1cc[nH+]c1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000279048720 194263027 /nfs/dbraw/zinc/26/30/27/194263027.db2.gz REXQZHZVCGDUOC-JTQLQIEISA-N 2 2 274.328 0.113 20 0 CCADLP CCN(CCC[NH+](C)C)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000338899561 284883209 /nfs/dbraw/zinc/88/32/09/284883209.db2.gz YXDIZGNSHSRAST-CYBMUJFWSA-N 2 2 271.405 0.507 20 0 CCADLP CN(C[C@H]1CC[N@H+](C)C1)C(=O)CCc1[nH]cc[nH+]1 ZINC000289196112 197260092 /nfs/dbraw/zinc/26/00/92/197260092.db2.gz RTWFFLRGWYYFTP-NSHDSACASA-N 2 2 250.346 0.752 20 0 CCADLP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)CCc1[nH]cc[nH+]1 ZINC000289196112 197260094 /nfs/dbraw/zinc/26/00/94/197260094.db2.gz RTWFFLRGWYYFTP-NSHDSACASA-N 2 2 250.346 0.752 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](OC)C2)CC1 ZINC000246083622 285003244 /nfs/dbraw/zinc/00/32/44/285003244.db2.gz FUKGPANROQJKBT-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](OC)C2)CC1 ZINC000246083622 285003246 /nfs/dbraw/zinc/00/32/46/285003246.db2.gz FUKGPANROQJKBT-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000289832320 197500183 /nfs/dbraw/zinc/50/01/83/197500183.db2.gz DQUXPYPDZYMZKG-NWDGAFQWSA-N 2 2 250.346 0.633 20 0 CCADLP [NH3+]Cc1nnc(-c2ccc(NC(=O)[C@H]3CC[NH2+]3)cc2)[nH]1 ZINC000571560126 291822555 /nfs/dbraw/zinc/82/25/55/291822555.db2.gz GMKRPPKSQZKYKR-SNVBAGLBSA-N 2 2 272.312 0.231 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000246929569 285037244 /nfs/dbraw/zinc/03/72/44/285037244.db2.gz SZOJDODQXXCYTC-AGIUHOORSA-N 2 2 298.431 0.883 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000246929569 285037247 /nfs/dbraw/zinc/03/72/47/285037247.db2.gz SZOJDODQXXCYTC-AGIUHOORSA-N 2 2 298.431 0.883 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000246929569 285037248 /nfs/dbraw/zinc/03/72/48/285037248.db2.gz SZOJDODQXXCYTC-AGIUHOORSA-N 2 2 298.431 0.883 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000246929569 285037251 /nfs/dbraw/zinc/03/72/51/285037251.db2.gz SZOJDODQXXCYTC-AGIUHOORSA-N 2 2 298.431 0.883 20 0 CCADLP CO[C@H](C)CC[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000571875415 291842667 /nfs/dbraw/zinc/84/26/67/291842667.db2.gz ORALESRRDAZIRB-SYQHCUMBSA-N 2 2 274.405 0.471 20 0 CCADLP O[C@@]1(C[NH2+]Cc2c[nH+]c3n2CCC3)CCSC1 ZINC000657382209 412979382 /nfs/dbraw/zinc/97/93/82/412979382.db2.gz BSPVIJSTSQSWCN-GFCCVEGCSA-N 2 2 253.371 0.787 20 0 CCADLP [NH3+][C@H](C(=O)NC1CC[NH2+]CC1)c1c(F)cccc1F ZINC000335378686 208315908 /nfs/dbraw/zinc/31/59/08/208315908.db2.gz GCXOSSGWYPITAJ-LBPRGKRZSA-N 2 2 269.295 0.833 20 0 CCADLP O=C(C1CC[NH+](CC(F)F)CC1)N1CCC[NH2+]CC1 ZINC000335391123 208353534 /nfs/dbraw/zinc/35/35/34/208353534.db2.gz VBDQLYWMDNJRFV-UHFFFAOYSA-N 2 2 275.343 0.785 20 0 CCADLP CC[C@H]1CN(C(=O)c2c[nH+]ccc2N)CC[N@@H+]1C[C@H](C)O ZINC000249089104 285100986 /nfs/dbraw/zinc/10/09/86/285100986.db2.gz UWAWLNURGWLARW-RYUDHWBXSA-N 2 2 292.383 0.581 20 0 CCADLP CC[C@H]1CN(C(=O)c2c[nH+]ccc2N)CC[N@H+]1C[C@H](C)O ZINC000249089104 285100987 /nfs/dbraw/zinc/10/09/87/285100987.db2.gz UWAWLNURGWLARW-RYUDHWBXSA-N 2 2 292.383 0.581 20 0 CCADLP O=C1NCC[N@H+](CCN2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000420296301 296371964 /nfs/dbraw/zinc/37/19/64/296371964.db2.gz DELFSGWGVZHQRM-OAHLLOKOSA-N 2 2 288.395 0.065 20 0 CCADLP O=C1NCC[N@@H+](CCN2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000420296301 296371967 /nfs/dbraw/zinc/37/19/67/296371967.db2.gz DELFSGWGVZHQRM-OAHLLOKOSA-N 2 2 288.395 0.065 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(CC[NH+]2CCOC[C@H]2C)[C@H](C)C1 ZINC000249273990 285107111 /nfs/dbraw/zinc/10/71/11/285107111.db2.gz KJJYVOAVOWFXND-KFWWJZLASA-N 2 2 285.432 0.094 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(CC[NH+]2CCOC[C@H]2C)[C@H](C)C1 ZINC000249273990 285107115 /nfs/dbraw/zinc/10/71/15/285107115.db2.gz KJJYVOAVOWFXND-KFWWJZLASA-N 2 2 285.432 0.094 20 0 CCADLP C[C@H](O)C[NH+]1CCN(CC[N@@H+]2CCOC[C@H]2C)[C@H](C)C1 ZINC000249273990 285107116 /nfs/dbraw/zinc/10/71/16/285107116.db2.gz KJJYVOAVOWFXND-KFWWJZLASA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H]1C[NH+](CC(C)(C)O)CCN1CC[N@H+]1CCO[C@@H](C)C1 ZINC000249295283 285109318 /nfs/dbraw/zinc/10/93/18/285109318.db2.gz QWQFGNITUCPINM-CABCVRRESA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1CC[NH+]1CCO[C@@H](C)C1 ZINC000249295283 285109320 /nfs/dbraw/zinc/10/93/20/285109320.db2.gz QWQFGNITUCPINM-CABCVRRESA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1CC[NH+]1CCO[C@@H](C)C1 ZINC000249295283 285109322 /nfs/dbraw/zinc/10/93/22/285109322.db2.gz QWQFGNITUCPINM-CABCVRRESA-N 2 2 299.459 0.484 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+](CCCO)Cc1ccccn1)C1CC1 ZINC000289427894 197342737 /nfs/dbraw/zinc/34/27/37/197342737.db2.gz RKWYXMULWHNOHQ-INIZCTEOSA-N 2 2 293.411 0.721 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+](CCCO)Cc1ccccn1)C1CC1 ZINC000289427894 197342738 /nfs/dbraw/zinc/34/27/38/197342738.db2.gz RKWYXMULWHNOHQ-INIZCTEOSA-N 2 2 293.411 0.721 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+](CCCO)Cc1ccccn1)C1CC1 ZINC000289427894 197342739 /nfs/dbraw/zinc/34/27/39/197342739.db2.gz RKWYXMULWHNOHQ-INIZCTEOSA-N 2 2 293.411 0.721 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+](CCCO)Cc1ccccn1)C1CC1 ZINC000289427894 197342736 /nfs/dbraw/zinc/34/27/36/197342736.db2.gz RKWYXMULWHNOHQ-INIZCTEOSA-N 2 2 293.411 0.721 20 0 CCADLP O=c1nc(C2CC[NH+](CCn3cc[nH+]c3)CC2)[nH][nH]1 ZINC000289415818 197335460 /nfs/dbraw/zinc/33/54/60/197335460.db2.gz MESWAJFZQNGLEB-UHFFFAOYSA-N 2 2 262.317 0.174 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H](CO)c1ccccc1)C1CC1 ZINC000289374103 197317921 /nfs/dbraw/zinc/31/79/21/197317921.db2.gz OTQLCILQHSFNPB-GJZGRUSLSA-N 2 2 264.369 0.765 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](CO)c1ccccc1)C1CC1 ZINC000289374103 197317922 /nfs/dbraw/zinc/31/79/22/197317922.db2.gz OTQLCILQHSFNPB-GJZGRUSLSA-N 2 2 264.369 0.765 20 0 CCADLP COC[C@@H](C)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000249897856 285141052 /nfs/dbraw/zinc/14/10/52/285141052.db2.gz ROPQZPIJCLKVDZ-KBPBESRZSA-N 2 2 256.390 0.923 20 0 CCADLP COC[C@@H](C)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000249897856 285141058 /nfs/dbraw/zinc/14/10/58/285141058.db2.gz ROPQZPIJCLKVDZ-KBPBESRZSA-N 2 2 256.390 0.923 20 0 CCADLP Oc1cc(F)cc(C[NH2+]C[C@H]2C[NH2+]CCCO2)c1 ZINC000572464041 291880516 /nfs/dbraw/zinc/88/05/16/291880516.db2.gz AQGROLHPXHCJGL-CYBMUJFWSA-N 2 2 254.305 0.999 20 0 CCADLP [NH3+]CC[C@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)C(F)(F)F ZINC000572525744 291885875 /nfs/dbraw/zinc/88/58/75/291885875.db2.gz RMPNCXNQUSJPCW-WDSKDSINSA-N 2 2 275.221 0.380 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCC2(CO)CC2)n1C ZINC000395922878 285229222 /nfs/dbraw/zinc/22/92/22/285229222.db2.gz DOXQVFAGYPATNN-UHFFFAOYSA-N 2 2 252.362 0.738 20 0 CCADLP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H]2CN(C)C(=O)O2)C1 ZINC000496160796 285264822 /nfs/dbraw/zinc/26/48/22/285264822.db2.gz WEVBOIROUQAZPZ-NWDGAFQWSA-N 2 2 255.362 0.711 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CN(C)C(=O)O2)C1 ZINC000496160796 285264825 /nfs/dbraw/zinc/26/48/25/285264825.db2.gz WEVBOIROUQAZPZ-NWDGAFQWSA-N 2 2 255.362 0.711 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CN(C)C(=O)O2)C1 ZINC000496160796 285264826 /nfs/dbraw/zinc/26/48/26/285264826.db2.gz WEVBOIROUQAZPZ-NWDGAFQWSA-N 2 2 255.362 0.711 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CN(C)C(=O)O2)C1 ZINC000496160796 285264828 /nfs/dbraw/zinc/26/48/28/285264828.db2.gz WEVBOIROUQAZPZ-NWDGAFQWSA-N 2 2 255.362 0.711 20 0 CCADLP [NH3+][C@@H](C(=O)NCCC[C@@H]1CCC[NH2+]1)c1cscn1 ZINC000521861888 285290953 /nfs/dbraw/zinc/29/09/53/285290953.db2.gz YHVXAEZBEWMHRB-GXSJLCMTSA-N 2 2 268.386 0.791 20 0 CCADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@H]1CCNC1=O ZINC000281494559 195262915 /nfs/dbraw/zinc/26/29/15/195262915.db2.gz AMFSGHWQOMURGY-ZDUSSCGKSA-N 2 2 285.351 0.978 20 0 CCADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@H]1CCNC1=O ZINC000281494559 195262917 /nfs/dbraw/zinc/26/29/17/195262917.db2.gz AMFSGHWQOMURGY-ZDUSSCGKSA-N 2 2 285.351 0.978 20 0 CCADLP CC[C@H](O)C[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000575054149 335059560 /nfs/dbraw/zinc/05/95/60/335059560.db2.gz OQNRMYWAYMHGKE-NWDGAFQWSA-N 2 2 280.372 0.272 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000575054247 335059675 /nfs/dbraw/zinc/05/96/75/335059675.db2.gz WVPKRDAUXGHWMV-PWSUYJOCSA-N 3 2 264.373 0.312 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000575054247 335059677 /nfs/dbraw/zinc/05/96/77/335059677.db2.gz WVPKRDAUXGHWMV-PWSUYJOCSA-N 3 2 264.373 0.312 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000575054247 335059679 /nfs/dbraw/zinc/05/96/79/335059679.db2.gz WVPKRDAUXGHWMV-PWSUYJOCSA-N 3 2 264.373 0.312 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000575054247 335059680 /nfs/dbraw/zinc/05/96/80/335059680.db2.gz WVPKRDAUXGHWMV-PWSUYJOCSA-N 3 2 264.373 0.312 20 0 CCADLP C[NH2+][C@H](C(=O)N1CC[NH+](C2CCC2)CC1)c1cnn(C)c1 ZINC000285865403 388807883 /nfs/dbraw/zinc/80/78/83/388807883.db2.gz ZMENGYALUMIRAE-AWEZNQCLSA-N 2 2 291.399 0.377 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)CCCn1cc[nH+]c1 ZINC000004945564 388761124 /nfs/dbraw/zinc/76/11/24/388761124.db2.gz ZDLINQLIDBFBBR-UHFFFAOYSA-N 2 2 261.329 0.985 20 0 CCADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000283484725 388766176 /nfs/dbraw/zinc/76/61/76/388766176.db2.gz QDECSAQIRFELQD-GFCCVEGCSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000283484725 388766182 /nfs/dbraw/zinc/76/61/82/388766182.db2.gz QDECSAQIRFELQD-GFCCVEGCSA-N 2 2 294.399 0.646 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000286183317 388837759 /nfs/dbraw/zinc/83/77/59/388837759.db2.gz AKXFTVAYXZGNML-WCQYABFASA-N 2 2 262.357 0.813 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000286183317 388837762 /nfs/dbraw/zinc/83/77/62/388837762.db2.gz AKXFTVAYXZGNML-WCQYABFASA-N 2 2 262.357 0.813 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000289971064 388898034 /nfs/dbraw/zinc/89/80/34/388898034.db2.gz NJWXRCITSKETKG-ZDUSSCGKSA-N 2 2 292.383 0.662 20 0 CCADLP C[C@H]1CC[C@@](CO)([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000187982567 388907171 /nfs/dbraw/zinc/90/71/71/388907171.db2.gz DXGREMTXZBVMFD-DZGCQCFKSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@H]1CC[C@@](CO)([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000187982567 388907174 /nfs/dbraw/zinc/90/71/74/388907174.db2.gz DXGREMTXZBVMFD-DZGCQCFKSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@H]1CCCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000187987094 388907422 /nfs/dbraw/zinc/90/74/22/388907422.db2.gz BQPQNXGBKCHJKL-ZDUSSCGKSA-N 2 2 253.390 0.882 20 0 CCADLP C[C@H]1CCCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000187987094 388907426 /nfs/dbraw/zinc/90/74/26/388907426.db2.gz BQPQNXGBKCHJKL-ZDUSSCGKSA-N 2 2 253.390 0.882 20 0 CCADLP CC[C@@H]1CN(C(=O)c2c[nH+]ccc2N)CC[N@@H+]1C[C@@H](C)O ZINC000188187416 388917100 /nfs/dbraw/zinc/91/71/00/388917100.db2.gz UWAWLNURGWLARW-VXGBXAGGSA-N 2 2 292.383 0.581 20 0 CCADLP CC[C@@H]1CN(C(=O)c2c[nH+]ccc2N)CC[N@H+]1C[C@@H](C)O ZINC000188187416 388917102 /nfs/dbraw/zinc/91/71/02/388917102.db2.gz UWAWLNURGWLARW-VXGBXAGGSA-N 2 2 292.383 0.581 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)c2coc(C[NH3+])c2)C[C@@H]1C ZINC000188188047 388917193 /nfs/dbraw/zinc/91/71/93/388917193.db2.gz DHLNJXVDLZQXNP-NSHDSACASA-N 2 2 281.356 0.531 20 0 CCADLP COCC[N@H+]1CCN(C(=O)c2coc(C[NH3+])c2)C[C@@H]1C ZINC000188188047 388917198 /nfs/dbraw/zinc/91/71/98/388917198.db2.gz DHLNJXVDLZQXNP-NSHDSACASA-N 2 2 281.356 0.531 20 0 CCADLP CC[C@H]1CN(C(=O)c2c[nH+]ccc2N)CC[N@@H+]1CCOC ZINC000188188350 388917789 /nfs/dbraw/zinc/91/77/89/388917789.db2.gz LRYWUDMPIZSUBQ-LBPRGKRZSA-N 2 2 292.383 0.847 20 0 CCADLP CC[C@H]1CN(C(=O)c2c[nH+]ccc2N)CC[N@H+]1CCOC ZINC000188188350 388917790 /nfs/dbraw/zinc/91/77/90/388917790.db2.gz LRYWUDMPIZSUBQ-LBPRGKRZSA-N 2 2 292.383 0.847 20 0 CCADLP Nc1cc[nH+]cc1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000188257509 388921485 /nfs/dbraw/zinc/92/14/85/388921485.db2.gz JPPOFUMITJDZCT-LBPRGKRZSA-N 2 2 290.367 0.458 20 0 CCADLP C[C@@]1(C(=O)NCCCn2cc[nH+]c2)CCC[NH2+]C1 ZINC000062853251 388939899 /nfs/dbraw/zinc/93/98/99/388939899.db2.gz SDMJGYYIRPWDJG-CYBMUJFWSA-N 2 2 250.346 0.779 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCOC1 ZINC000066942832 388946613 /nfs/dbraw/zinc/94/66/13/388946613.db2.gz ZXQRELALMHBSCE-ZDUSSCGKSA-N 2 2 283.416 0.507 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCOC1 ZINC000066942832 388946614 /nfs/dbraw/zinc/94/66/14/388946614.db2.gz ZXQRELALMHBSCE-ZDUSSCGKSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@@H]1CN(Cc2[nH]cc[nH+]2)CC[N@@H+]1CC(C)(C)O ZINC000189928651 388978058 /nfs/dbraw/zinc/97/80/58/388978058.db2.gz WDPDKXAPOXUYAV-LLVKDONJSA-N 2 2 252.362 0.687 20 0 CCADLP C[C@@H]1CN(Cc2[nH]cc[nH+]2)CC[N@H+]1CC(C)(C)O ZINC000189928651 388978062 /nfs/dbraw/zinc/97/80/62/388978062.db2.gz WDPDKXAPOXUYAV-LLVKDONJSA-N 2 2 252.362 0.687 20 0 CCADLP C[NH+](C)CCNC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000083419783 389002565 /nfs/dbraw/zinc/00/25/65/389002565.db2.gz NHYHGBPQBGYFOE-LLVKDONJSA-N 2 2 257.284 0.642 20 0 CCADLP CO[C@@H](C)CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000190777347 388999379 /nfs/dbraw/zinc/99/93/79/388999379.db2.gz CHJHKSLHCJPNHF-LBPRGKRZSA-N 2 2 286.420 0.347 20 0 CCADLP COCC[N@H+](C)CCC[NH2+]Cc1cn2cccnc2n1 ZINC000298266760 389012911 /nfs/dbraw/zinc/01/29/11/389012911.db2.gz GCRIONRVBSNNQA-UHFFFAOYSA-N 2 2 277.372 0.787 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+]Cc1cn2cccnc2n1 ZINC000298266760 389012916 /nfs/dbraw/zinc/01/29/16/389012916.db2.gz GCRIONRVBSNNQA-UHFFFAOYSA-N 2 2 277.372 0.787 20 0 CCADLP C[C@H]1COCCN1CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000191511471 389012938 /nfs/dbraw/zinc/01/29/38/389012938.db2.gz QZGFIXLDVQXMEQ-HOTGVXAUSA-N 2 2 297.443 0.361 20 0 CCADLP C[C@H]1COCCN1CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000191511471 389012941 /nfs/dbraw/zinc/01/29/41/389012941.db2.gz QZGFIXLDVQXMEQ-HOTGVXAUSA-N 2 2 297.443 0.361 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)C1CCOCC1 ZINC000354336135 389020487 /nfs/dbraw/zinc/02/04/87/389020487.db2.gz WAUKKCPRWRDMTB-OCCSQVGLSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)C1CCOCC1 ZINC000354336135 389020493 /nfs/dbraw/zinc/02/04/93/389020493.db2.gz WAUKKCPRWRDMTB-OCCSQVGLSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCN1CC[NH+](C)[C@H](C)[C@H]1C ZINC000337196100 389053925 /nfs/dbraw/zinc/05/39/25/389053925.db2.gz XESLRTDFQZXLTP-MGPQQGTHSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCN1CC[NH+](C)[C@H](C)[C@H]1C ZINC000337196100 389053927 /nfs/dbraw/zinc/05/39/27/389053927.db2.gz XESLRTDFQZXLTP-MGPQQGTHSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000337196100 389053930 /nfs/dbraw/zinc/05/39/30/389053930.db2.gz XESLRTDFQZXLTP-MGPQQGTHSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000337196100 389053935 /nfs/dbraw/zinc/05/39/35/389053935.db2.gz XESLRTDFQZXLTP-MGPQQGTHSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2CCOC[C@@H]2C)CC[NH+]1CC(C)(C)O ZINC000192814312 389054559 /nfs/dbraw/zinc/05/45/59/389054559.db2.gz WDKHVYUUZBFEIB-CABCVRRESA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2CCOC[C@@H]2C)CC[NH+]1CC(C)(C)O ZINC000192814312 389054562 /nfs/dbraw/zinc/05/45/62/389054562.db2.gz WDKHVYUUZBFEIB-CABCVRRESA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1CN(CC[NH+]2CCOC[C@@H]2C)CC[N@@H+]1CC(C)(C)O ZINC000192814312 389054565 /nfs/dbraw/zinc/05/45/65/389054565.db2.gz WDKHVYUUZBFEIB-CABCVRRESA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1CN(C[C@H](O)C[N@H+]2CC[C@@H](C[NH+](C)C)C2)C[C@@H](C)O1 ZINC000355307756 389057496 /nfs/dbraw/zinc/05/74/96/389057496.db2.gz AVUKILTYDLNKMY-LVQVYYBASA-N 2 2 299.459 0.340 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)NCCn1cc[nH+]c1 ZINC000192919841 389057731 /nfs/dbraw/zinc/05/77/31/389057731.db2.gz ICABOZKEPCYXLA-UHFFFAOYSA-N 2 2 262.317 0.469 20 0 CCADLP CC(C)OC[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000337324280 389058579 /nfs/dbraw/zinc/05/85/79/389058579.db2.gz BAJIFGBSYJSYTM-QWHCGFSZSA-N 2 2 271.405 0.729 20 0 CCADLP CC(C)OC[C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000337324280 389058581 /nfs/dbraw/zinc/05/85/81/389058581.db2.gz BAJIFGBSYJSYTM-QWHCGFSZSA-N 2 2 271.405 0.729 20 0 CCADLP Cn1ncc2c1nc(NC[C@H]1CCC[N@H+](C)C1)[nH+]c2N ZINC000302594904 389075128 /nfs/dbraw/zinc/07/51/28/389075128.db2.gz XEIGLZFSQFHCJL-SECBINFHSA-N 2 2 275.360 0.699 20 0 CCADLP Cn1ncc2c1nc(NC[C@H]1CCC[N@@H+](C)C1)[nH+]c2N ZINC000302594904 389075130 /nfs/dbraw/zinc/07/51/30/389075130.db2.gz XEIGLZFSQFHCJL-SECBINFHSA-N 2 2 275.360 0.699 20 0 CCADLP C[N@@H+]1CCCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000298623282 389035381 /nfs/dbraw/zinc/03/53/81/389035381.db2.gz UOQFMITXJSGKGS-UHFFFAOYSA-N 2 2 265.361 0.620 20 0 CCADLP C[N@H+]1CCCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000298623282 389035384 /nfs/dbraw/zinc/03/53/84/389035384.db2.gz UOQFMITXJSGKGS-UHFFFAOYSA-N 2 2 265.361 0.620 20 0 CCADLP CC[C@@H](C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000194749967 389103458 /nfs/dbraw/zinc/10/34/58/389103458.db2.gz SRASPKUECAMYHV-MJBXVCDLSA-N 2 2 285.432 0.894 20 0 CCADLP CC[C@@H](C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000194749967 389103461 /nfs/dbraw/zinc/10/34/61/389103461.db2.gz SRASPKUECAMYHV-MJBXVCDLSA-N 2 2 285.432 0.894 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000195128311 389115898 /nfs/dbraw/zinc/11/58/98/389115898.db2.gz MKGDRQBZVQBGAN-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000195128311 389115901 /nfs/dbraw/zinc/11/59/01/389115901.db2.gz MKGDRQBZVQBGAN-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CC(=O)N2CCOCC2)[C@H]1C ZINC000316283119 389119167 /nfs/dbraw/zinc/11/91/67/389119167.db2.gz SRZCNEWODGKUIG-FRRDWIJNSA-N 2 2 269.389 0.293 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CC(=O)N2CCOCC2)[C@H]1C ZINC000316283119 389119169 /nfs/dbraw/zinc/11/91/69/389119169.db2.gz SRZCNEWODGKUIG-FRRDWIJNSA-N 2 2 269.389 0.293 20 0 CCADLP CC[C@H](C(=O)NCC[N@@H+]1CCOC[C@@H]1C)[NH+](C)C ZINC000338969675 389119284 /nfs/dbraw/zinc/11/92/84/389119284.db2.gz AXATZBQNHUJDJA-NWDGAFQWSA-N 2 2 257.378 0.164 20 0 CCADLP CC[C@H](C(=O)NCC[N@H+]1CCOC[C@@H]1C)[NH+](C)C ZINC000338969675 389119286 /nfs/dbraw/zinc/11/92/86/389119286.db2.gz AXATZBQNHUJDJA-NWDGAFQWSA-N 2 2 257.378 0.164 20 0 CCADLP C[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000195188457 389119628 /nfs/dbraw/zinc/11/96/28/389119628.db2.gz UWQHHQDHBVBZFW-NSHDSACASA-N 2 2 263.341 0.805 20 0 CCADLP CC[C@H](COC)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000360894127 389205825 /nfs/dbraw/zinc/20/58/25/389205825.db2.gz MATMYCUFWMCHCQ-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP CC[C@H](COC)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000360894127 389205827 /nfs/dbraw/zinc/20/58/27/389205827.db2.gz MATMYCUFWMCHCQ-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129570977 389190161 /nfs/dbraw/zinc/19/01/61/389190161.db2.gz AQXONOKRWBVJMQ-ZIAGYGMSSA-N 2 2 294.399 0.919 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129570977 389190164 /nfs/dbraw/zinc/19/01/64/389190164.db2.gz AQXONOKRWBVJMQ-ZIAGYGMSSA-N 2 2 294.399 0.919 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000360415459 389197788 /nfs/dbraw/zinc/19/77/88/389197788.db2.gz AGXXQBIQCCDWED-MGPQQGTHSA-N 2 2 275.400 0.985 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000360415459 389197789 /nfs/dbraw/zinc/19/77/89/389197789.db2.gz AGXXQBIQCCDWED-MGPQQGTHSA-N 2 2 275.400 0.985 20 0 CCADLP CCC[N@H+](C)CC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000342255810 389203330 /nfs/dbraw/zinc/20/33/30/389203330.db2.gz UWRYFAGSHPQSHV-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000342255810 389203331 /nfs/dbraw/zinc/20/33/31/389203331.db2.gz UWRYFAGSHPQSHV-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP C[N@@H+]1CCN(Cc2ccc(Br)cn2)[C@@H](C[NH3+])C1 ZINC000228263212 389154029 /nfs/dbraw/zinc/15/40/29/389154029.db2.gz JBEJQCWIWKJSKL-LBPRGKRZSA-N 2 2 299.216 0.919 20 0 CCADLP C[N@H+]1CCN(Cc2ccc(Br)cn2)[C@@H](C[NH3+])C1 ZINC000228263212 389154030 /nfs/dbraw/zinc/15/40/30/389154030.db2.gz JBEJQCWIWKJSKL-LBPRGKRZSA-N 2 2 299.216 0.919 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](CO)Cc1ccccc1 ZINC000229204961 389155538 /nfs/dbraw/zinc/15/55/38/389155538.db2.gz LEHVCJMZQGCFQJ-NUEKZKHPSA-N 2 2 278.396 0.947 20 0 CCADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NC(=O)NC2CC2)CC[N@@H+]1C ZINC000123711786 389156935 /nfs/dbraw/zinc/15/69/35/389156935.db2.gz LOWACABYJMCIRL-ZYHUDNBSSA-N 2 2 282.388 0.389 20 0 CCADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NC(=O)NC2CC2)CC[N@H+]1C ZINC000123711786 389156936 /nfs/dbraw/zinc/15/69/36/389156936.db2.gz LOWACABYJMCIRL-ZYHUDNBSSA-N 2 2 282.388 0.389 20 0 CCADLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)NC(=O)NC2CC2)CC[NH+]1C ZINC000123711786 389156938 /nfs/dbraw/zinc/15/69/38/389156938.db2.gz LOWACABYJMCIRL-ZYHUDNBSSA-N 2 2 282.388 0.389 20 0 CCADLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)NC(=O)NC2CC2)CC[NH+]1C ZINC000123711786 389156939 /nfs/dbraw/zinc/15/69/39/389156939.db2.gz LOWACABYJMCIRL-ZYHUDNBSSA-N 2 2 282.388 0.389 20 0 CCADLP CO[C@H]1CCN(C(=O)c2ccc3[nH+]ccn3c2)[C@@H](C[NH3+])C1 ZINC000359224736 389168776 /nfs/dbraw/zinc/16/87/76/389168776.db2.gz LMIQJICBAFBJQF-OLZOCXBDSA-N 2 2 288.351 0.913 20 0 CCADLP CO[C@@H]1CCN(C(=O)c2ccc3[nH+]ccn3c2)[C@H](C[NH3+])C1 ZINC000359224739 389169158 /nfs/dbraw/zinc/16/91/58/389169158.db2.gz LMIQJICBAFBJQF-QWHCGFSZSA-N 2 2 288.351 0.913 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000342699258 389244124 /nfs/dbraw/zinc/24/41/24/389244124.db2.gz VYMZTPUCECKOMY-GHMZBOCLSA-N 2 2 291.342 0.068 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000342699258 389244127 /nfs/dbraw/zinc/24/41/27/389244127.db2.gz VYMZTPUCECKOMY-GHMZBOCLSA-N 2 2 291.342 0.068 20 0 CCADLP Cn1c[nH+]cc1CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000363481884 389248912 /nfs/dbraw/zinc/24/89/12/389248912.db2.gz WEBFJHKIDMYIDO-GFCCVEGCSA-N 2 2 250.346 0.327 20 0 CCADLP Cc1nc(N[C@@H]2CCC[N@H+](C)[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000343586946 389267984 /nfs/dbraw/zinc/26/79/84/389267984.db2.gz CKKVRQIZPSLMIW-MWLCHTKSSA-N 2 2 264.377 0.563 20 0 CCADLP Cc1nc(N[C@@H]2CCC[N@@H+](C)[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000343586946 389267986 /nfs/dbraw/zinc/26/79/86/389267986.db2.gz CKKVRQIZPSLMIW-MWLCHTKSSA-N 2 2 264.377 0.563 20 0 CCADLP COC[C@H](C)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131240729 389210665 /nfs/dbraw/zinc/21/06/65/389210665.db2.gz LUDYYLTUZKFAPH-WCQYABFASA-N 2 2 269.389 0.435 20 0 CCADLP COC[C@H](C)[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131240729 389210668 /nfs/dbraw/zinc/21/06/68/389210668.db2.gz LUDYYLTUZKFAPH-WCQYABFASA-N 2 2 269.389 0.435 20 0 CCADLP CC(C)[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000361420894 389216361 /nfs/dbraw/zinc/21/63/61/389216361.db2.gz PYZKISRESUBBDK-ZDUSSCGKSA-N 2 2 269.389 0.260 20 0 CCADLP CC(C)[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000361420894 389216363 /nfs/dbraw/zinc/21/63/63/389216363.db2.gz PYZKISRESUBBDK-ZDUSSCGKSA-N 2 2 269.389 0.260 20 0 CCADLP COCC[N@H+](CC[C@H]1CCC[NH+]1C)[C@@H](C)C(N)=O ZINC000245748448 389217734 /nfs/dbraw/zinc/21/77/34/389217734.db2.gz YKPYEGYVAUMBKC-NWDGAFQWSA-N 2 2 257.378 0.293 20 0 CCADLP COCC[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H](C)C(N)=O ZINC000245748448 389217740 /nfs/dbraw/zinc/21/77/40/389217740.db2.gz YKPYEGYVAUMBKC-NWDGAFQWSA-N 2 2 257.378 0.293 20 0 CCADLP COCC[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H](C)C(N)=O ZINC000245748448 389217743 /nfs/dbraw/zinc/21/77/43/389217743.db2.gz YKPYEGYVAUMBKC-NWDGAFQWSA-N 2 2 257.378 0.293 20 0 CCADLP COCC[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H](C)C(N)=O ZINC000245748448 389217747 /nfs/dbraw/zinc/21/77/47/389217747.db2.gz YKPYEGYVAUMBKC-NWDGAFQWSA-N 2 2 257.378 0.293 20 0 CCADLP CC[C@H](C(N)=O)[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000246449808 389228125 /nfs/dbraw/zinc/22/81/25/389228125.db2.gz ONVPKSLCFGPIIY-RBSFLKMASA-N 2 2 296.459 0.741 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N3CCCC3)C2)CC1 ZINC000107368691 285334612 /nfs/dbraw/zinc/33/46/12/285334612.db2.gz JYBVUBNWFVOPHE-OAHLLOKOSA-N 2 2 294.443 0.321 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N3CCCC3)C2)CC1 ZINC000107368691 285334615 /nfs/dbraw/zinc/33/46/15/285334615.db2.gz JYBVUBNWFVOPHE-OAHLLOKOSA-N 2 2 294.443 0.321 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CC(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC000156138190 389323612 /nfs/dbraw/zinc/32/36/12/389323612.db2.gz UCALBBNQPYHJFK-RKDXNWHRSA-N 2 2 267.295 0.737 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CC(=O)NCC(F)(F)F)CC[N@H+]1C ZINC000156138190 389323613 /nfs/dbraw/zinc/32/36/13/389323613.db2.gz UCALBBNQPYHJFK-RKDXNWHRSA-N 2 2 267.295 0.737 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)[C@@H]1CCCO1 ZINC000346548965 389331986 /nfs/dbraw/zinc/33/19/86/389331986.db2.gz FBQIZKBOOQXSHA-XQQFMLRXSA-N 2 2 269.389 0.483 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)[C@@H]1CCCO1 ZINC000346548965 389331990 /nfs/dbraw/zinc/33/19/90/389331990.db2.gz FBQIZKBOOQXSHA-XQQFMLRXSA-N 2 2 269.389 0.483 20 0 CCADLP C[N@@H+](CC(=O)N1CCCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000158075948 389335202 /nfs/dbraw/zinc/33/52/02/389335202.db2.gz STGUMNLRTBPITQ-CYBMUJFWSA-N 2 2 253.390 0.882 20 0 CCADLP C[N@H+](CC(=O)N1CCCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000158075948 389335205 /nfs/dbraw/zinc/33/52/05/389335205.db2.gz STGUMNLRTBPITQ-CYBMUJFWSA-N 2 2 253.390 0.882 20 0 CCADLP C[NH+](CC(=O)N1CCCC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000158075948 389335207 /nfs/dbraw/zinc/33/52/07/389335207.db2.gz STGUMNLRTBPITQ-CYBMUJFWSA-N 2 2 253.390 0.882 20 0 CCADLP C[NH+](CC(=O)N1CCCC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000158075948 389335210 /nfs/dbraw/zinc/33/52/10/389335210.db2.gz STGUMNLRTBPITQ-CYBMUJFWSA-N 2 2 253.390 0.882 20 0 CCADLP CN(CCC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCC[N@@H+]1C ZINC000420997885 389344405 /nfs/dbraw/zinc/34/44/05/389344405.db2.gz LTSLOGSBEGDDFX-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP CN(CCC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCC[N@H+]1C ZINC000420997885 389344410 /nfs/dbraw/zinc/34/44/10/389344410.db2.gz LTSLOGSBEGDDFX-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP CN1CCC[C@H]1C[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000420997885 389344411 /nfs/dbraw/zinc/34/44/11/389344411.db2.gz LTSLOGSBEGDDFX-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP CN1CCC[C@H]1C[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000420997885 389344415 /nfs/dbraw/zinc/34/44/15/389344415.db2.gz LTSLOGSBEGDDFX-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)N(C)C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343927571 389276226 /nfs/dbraw/zinc/27/62/26/389276226.db2.gz SHDSIJOKSBMRGL-UONOGXRCSA-N 2 2 282.432 0.032 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)N(C)C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343927571 389276229 /nfs/dbraw/zinc/27/62/29/389276229.db2.gz SHDSIJOKSBMRGL-UONOGXRCSA-N 2 2 282.432 0.032 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000262699802 389293443 /nfs/dbraw/zinc/29/34/43/389293443.db2.gz GYLXCUYSXBIHIV-IPYPFGDCSA-N 2 2 283.416 0.683 20 0 CCADLP CC(C)[C@H](C(=O)N(C)CC[NH+]1CCOCC1)[NH+](C)C ZINC000153351259 389299262 /nfs/dbraw/zinc/29/92/62/389299262.db2.gz JALODUVXXBCPAC-CYBMUJFWSA-N 2 2 271.405 0.363 20 0 CCADLP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366535245 389304013 /nfs/dbraw/zinc/30/40/13/389304013.db2.gz NUTIMFIBEBOLNR-GXTWGEPZSA-N 2 2 253.390 0.929 20 0 CCADLP CC[C@H](C)NC(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366535245 389304014 /nfs/dbraw/zinc/30/40/14/389304014.db2.gz NUTIMFIBEBOLNR-GXTWGEPZSA-N 2 2 253.390 0.929 20 0 CCADLP CC[C@H](C)NC(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366535245 389304017 /nfs/dbraw/zinc/30/40/17/389304017.db2.gz NUTIMFIBEBOLNR-GXTWGEPZSA-N 2 2 253.390 0.929 20 0 CCADLP CC[C@H](C)NC(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366535245 389304018 /nfs/dbraw/zinc/30/40/18/389304018.db2.gz NUTIMFIBEBOLNR-GXTWGEPZSA-N 2 2 253.390 0.929 20 0 CCADLP CC(=O)CCC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368528216 389380125 /nfs/dbraw/zinc/38/01/25/389380125.db2.gz OQIXGPZZHVNBNC-HNNXBMFYSA-N 2 2 295.427 0.983 20 0 CCADLP CC(=O)CCC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368528216 389380129 /nfs/dbraw/zinc/38/01/29/389380129.db2.gz OQIXGPZZHVNBNC-HNNXBMFYSA-N 2 2 295.427 0.983 20 0 CCADLP Cc1cc(C)c(NC(=O)C(=O)N2CC[NH+](C)CC2)c(C)[nH+]1 ZINC000411151003 389417130 /nfs/dbraw/zinc/41/71/30/389417130.db2.gz AKHYXOGAKXDEEC-UHFFFAOYSA-N 2 2 290.367 0.719 20 0 CCADLP CCCN1C[C@H](C[NH2+]Cc2c[nH+]c(N(C)C)n2C)CC1=O ZINC000422079612 389395130 /nfs/dbraw/zinc/39/51/30/389395130.db2.gz AAUIDJNYQVAUCL-LBPRGKRZSA-N 2 2 293.415 0.834 20 0 CCADLP CC(C)[C@@H](C(=O)N[C@@H](C)Cn1cc[nH+]c1)[NH+](C)C ZINC000269140453 389403975 /nfs/dbraw/zinc/40/39/75/389403975.db2.gz ZSOLBZOQDRCQSP-RYUDHWBXSA-N 2 2 252.362 0.974 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000269245167 389410032 /nfs/dbraw/zinc/41/00/32/389410032.db2.gz LYDBVDZIDAGFQO-CYBMUJFWSA-N 2 2 273.340 0.867 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)c2csc(C[NH3+])n2)C1 ZINC000269262003 389410623 /nfs/dbraw/zinc/41/06/23/389410623.db2.gz NERMBXCXKVYBLN-SECBINFHSA-N 2 2 284.385 0.052 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)c2csc(C[NH3+])n2)C1 ZINC000269262003 389410624 /nfs/dbraw/zinc/41/06/24/389410624.db2.gz NERMBXCXKVYBLN-SECBINFHSA-N 2 2 284.385 0.052 20 0 CCADLP Cc1cccn2cc(CNC(=O)C[C@@H]3C[NH2+]CCO3)[nH+]c12 ZINC000269263007 389411143 /nfs/dbraw/zinc/41/11/43/389411143.db2.gz NLFISDBRGNMSKU-CYBMUJFWSA-N 2 2 288.351 0.637 20 0 CCADLP CN1CC[N@H+](C)[C@H](CNC(=O)NCC2([NH3+])CCCCC2)C1 ZINC000333448735 389413782 /nfs/dbraw/zinc/41/37/82/389413782.db2.gz XFJBTSZPFDGUJQ-CYBMUJFWSA-N 2 2 297.447 0.193 20 0 CCADLP CN1CC[N@@H+](C)[C@H](CNC(=O)NCC2([NH3+])CCCCC2)C1 ZINC000333448735 389413783 /nfs/dbraw/zinc/41/37/83/389413783.db2.gz XFJBTSZPFDGUJQ-CYBMUJFWSA-N 2 2 297.447 0.193 20 0 CCADLP CCc1noc(CC)c1CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000162318098 389419018 /nfs/dbraw/zinc/41/90/18/389419018.db2.gz DUKJTKSBVPSDJJ-LLVKDONJSA-N 2 2 294.399 0.443 20 0 CCADLP CCc1noc(CC)c1CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000162318098 389419023 /nfs/dbraw/zinc/41/90/23/389419023.db2.gz DUKJTKSBVPSDJJ-LLVKDONJSA-N 2 2 294.399 0.443 20 0 CCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000347715741 389356527 /nfs/dbraw/zinc/35/65/27/389356527.db2.gz KBJYVKXAWQVBSD-GJZGRUSLSA-N 2 2 297.443 0.753 20 0 CCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000347715741 389356531 /nfs/dbraw/zinc/35/65/31/389356531.db2.gz KBJYVKXAWQVBSD-GJZGRUSLSA-N 2 2 297.443 0.753 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+][C@H]2CCc3nnnn3CC2)[C@@H](C)C1 ZINC000421400839 389361719 /nfs/dbraw/zinc/36/17/19/389361719.db2.gz SPKKZWRSRCKSHI-SRVKXCTJSA-N 2 2 264.377 0.308 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+][C@H]2CCc3nnnn3CC2)[C@@H](C)C1 ZINC000421400839 389361722 /nfs/dbraw/zinc/36/17/22/389361722.db2.gz SPKKZWRSRCKSHI-SRVKXCTJSA-N 2 2 264.377 0.308 20 0 CCADLP O[C@H](C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000422734001 389462716 /nfs/dbraw/zinc/46/27/16/389462716.db2.gz BWGCCYBZIWLOSX-YESZJQIVSA-N 2 2 290.407 0.947 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCC[N@H+](C)C1CCCC1 ZINC000422739717 389463906 /nfs/dbraw/zinc/46/39/06/389463906.db2.gz LOYOFZKBQSLARS-ZIAGYGMSSA-N 2 2 283.416 0.744 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCC[N@@H+](C)C1CCCC1 ZINC000422739717 389463909 /nfs/dbraw/zinc/46/39/09/389463909.db2.gz LOYOFZKBQSLARS-ZIAGYGMSSA-N 2 2 283.416 0.744 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@H](C)[N@H+](C)C1CC1 ZINC000422744376 389465099 /nfs/dbraw/zinc/46/50/99/389465099.db2.gz SQJHEDLRTVHIIU-CYZMBNFOSA-N 2 2 269.389 0.352 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@H](C)[N@@H+](C)C1CC1 ZINC000422744376 389465102 /nfs/dbraw/zinc/46/51/02/389465102.db2.gz SQJHEDLRTVHIIU-CYZMBNFOSA-N 2 2 269.389 0.352 20 0 CCADLP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)[C@H]1CCCC[NH2+]1 ZINC000422763117 389470100 /nfs/dbraw/zinc/47/01/00/389470100.db2.gz OONBGYBPNXVPDG-UKRRQHHQSA-N 3 2 269.433 0.953 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2csc(=O)[nH]2)CC1 ZINC000350157368 389493996 /nfs/dbraw/zinc/49/39/96/389493996.db2.gz IFWXJAAVSGSION-UHFFFAOYSA-N 2 2 298.412 0.605 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])C[NH+]1CCOCC1 ZINC000422773622 389472846 /nfs/dbraw/zinc/47/28/46/389472846.db2.gz YZZCPRSVGZBCCK-MGPQQGTHSA-N 3 2 255.406 0.672 20 0 CCADLP O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000422786857 389475816 /nfs/dbraw/zinc/47/58/16/389475816.db2.gz PDFPYGIDDCACBF-UONOGXRCSA-N 2 2 281.400 0.356 20 0 CCADLP O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000422786857 389475820 /nfs/dbraw/zinc/47/58/20/389475820.db2.gz PDFPYGIDDCACBF-UONOGXRCSA-N 2 2 281.400 0.356 20 0 CCADLP C(CN1CCCCC1)[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422806364 389479322 /nfs/dbraw/zinc/47/93/22/389479322.db2.gz IBVJXGKAHNFWPZ-LSDHHAIUSA-N 2 2 267.417 0.829 20 0 CCADLP CN(C)S(=O)(=O)c1ccccc1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422821106 389481482 /nfs/dbraw/zinc/48/14/82/389481482.db2.gz UKJVFWPILDJHHE-OLZOCXBDSA-N 2 2 297.424 0.906 20 0 CCADLP c1cncc(CC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422823041 389482655 /nfs/dbraw/zinc/48/26/55/389482655.db2.gz CKISCMZAMXEUDI-LSDHHAIUSA-N 2 2 261.369 0.981 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@@H](CC(C)C)[NH+](C)C ZINC000422821394 389482779 /nfs/dbraw/zinc/48/27/79/389482779.db2.gz VYBBGVASBJBSDA-HZSPNIEDSA-N 2 2 285.432 0.846 20 0 CCADLP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422848260 389490683 /nfs/dbraw/zinc/49/06/83/389490683.db2.gz AQXXFEHVLAEAEX-BFHYXJOUSA-N 3 2 257.422 0.931 20 0 CCADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ncc[nH]1 ZINC000162507662 389419733 /nfs/dbraw/zinc/41/97/33/389419733.db2.gz AOLVNEGRSOUVHV-UHFFFAOYSA-N 2 2 251.378 0.479 20 0 CCADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ncc[nH]1 ZINC000162507662 389419735 /nfs/dbraw/zinc/41/97/35/389419735.db2.gz AOLVNEGRSOUVHV-UHFFFAOYSA-N 2 2 251.378 0.479 20 0 CCADLP CC[NH+]1CCN(CCC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000422852784 389491531 /nfs/dbraw/zinc/49/15/31/389491531.db2.gz BHLDZEGGGKCWCU-LSDHHAIUSA-N 3 2 268.449 0.744 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000164464351 389435030 /nfs/dbraw/zinc/43/50/30/389435030.db2.gz NIBDTIHRFMAWOQ-AWEZNQCLSA-N 2 2 269.389 0.167 20 0 CCADLP CC(C)(CC[NH3+])NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000422599060 389444020 /nfs/dbraw/zinc/44/40/20/389444020.db2.gz PCTOXKVJOPVMSF-UHFFFAOYSA-N 2 2 286.420 0.524 20 0 CCADLP CC(C)(CC[NH3+])NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000422599060 389444024 /nfs/dbraw/zinc/44/40/24/389444024.db2.gz PCTOXKVJOPVMSF-UHFFFAOYSA-N 2 2 286.420 0.524 20 0 CCADLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000333807288 389444768 /nfs/dbraw/zinc/44/47/68/389444768.db2.gz IQWWJOVULZEDQK-IMRBUKKESA-N 2 2 287.367 0.131 20 0 CCADLP [NH3+][C@@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000422697640 389452894 /nfs/dbraw/zinc/45/28/94/389452894.db2.gz VLHKLPVEJRRCMI-TZMCWYRMSA-N 2 2 281.400 0.580 20 0 CCADLP [NH3+][C@@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000422697640 389452896 /nfs/dbraw/zinc/45/28/96/389452896.db2.gz VLHKLPVEJRRCMI-TZMCWYRMSA-N 2 2 281.400 0.580 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000334043058 389453881 /nfs/dbraw/zinc/45/38/81/389453881.db2.gz PAKHIZXKBURNDT-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP C([NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)[C@H]1CCCCO1 ZINC000422707200 389455345 /nfs/dbraw/zinc/45/53/45/389455345.db2.gz WBDAXECEMSKYKE-RDBSUJKOSA-N 2 2 254.374 0.912 20 0 CCADLP C[C@@H]([NH2+]CCN1CCOC[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000422711252 389456481 /nfs/dbraw/zinc/45/64/81/389456481.db2.gz GUTYHQJPMRRVPL-MCIONIFRSA-N 2 2 255.406 0.827 20 0 CCADLP CC(C)OCC[C@H](O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000349915716 389459124 /nfs/dbraw/zinc/45/91/24/389459124.db2.gz VKOGRZSLWVUOEP-AWEZNQCLSA-N 2 2 296.415 0.718 20 0 CCADLP CCN(CC)C(=O)CCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422954865 389510088 /nfs/dbraw/zinc/51/00/88/389510088.db2.gz IIFGQACNGPVFHY-GOEBONIOSA-N 2 2 297.443 0.992 20 0 CCADLP CS[C@H](CO)[C@H](C)[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422973775 389512928 /nfs/dbraw/zinc/51/29/28/389512928.db2.gz CQWYXEHYROHANL-SYEHKZFSSA-N 2 2 274.430 0.455 20 0 CCADLP Cc1cc(CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)cc(C)[nH+]1 ZINC000422976861 389515384 /nfs/dbraw/zinc/51/53/84/389515384.db2.gz VSGOEOXRNKFOQX-CYBMUJFWSA-N 2 2 292.383 0.414 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000276634207 389520418 /nfs/dbraw/zinc/52/04/18/389520418.db2.gz UBJKQCNBLFSGBE-XGACYXMMSA-N 2 2 290.367 0.746 20 0 CCADLP OC[C@H](Cc1ccccc1)[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423054989 389528305 /nfs/dbraw/zinc/52/83/05/389528305.db2.gz CMKBARRWBVDLLI-BBWFWOEESA-N 2 2 290.407 0.947 20 0 CCADLP O=C1c2ccccc2CCN1CC[NH2+][C@@H]1CC[NH2+]C1 ZINC000423068318 389529179 /nfs/dbraw/zinc/52/91/79/389529179.db2.gz JRNCELDCOOICFB-CYBMUJFWSA-N 2 2 259.353 0.636 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(N2CCOCC2)CC1 ZINC000423070537 389530363 /nfs/dbraw/zinc/53/03/63/389530363.db2.gz CZQYEUSRORAQSL-KGLIPLIRSA-N 2 2 283.416 0.208 20 0 CCADLP O=C(Cc1ccccc1)N1CC[C@@H]([NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000423113096 389536394 /nfs/dbraw/zinc/53/63/94/389536394.db2.gz YJWXIWHFZUUQGG-HUUCEWRRSA-N 2 2 273.380 0.782 20 0 CCADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)N2CCC2)C1 ZINC000350731708 389538758 /nfs/dbraw/zinc/53/87/58/389538758.db2.gz DWVXDTHHNWZIHM-AWEZNQCLSA-N 2 2 265.401 0.882 20 0 CCADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)N2CCC2)C1 ZINC000350731708 389538762 /nfs/dbraw/zinc/53/87/62/389538762.db2.gz DWVXDTHHNWZIHM-AWEZNQCLSA-N 2 2 265.401 0.882 20 0 CCADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC000350731708 389538766 /nfs/dbraw/zinc/53/87/66/389538766.db2.gz DWVXDTHHNWZIHM-AWEZNQCLSA-N 2 2 265.401 0.882 20 0 CCADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC000350731708 389538769 /nfs/dbraw/zinc/53/87/69/389538769.db2.gz DWVXDTHHNWZIHM-AWEZNQCLSA-N 2 2 265.401 0.882 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCNC2=O)[C@H](C)C1 ZINC000175721671 389545561 /nfs/dbraw/zinc/54/55/61/389545561.db2.gz OINYBAZPMBZEJC-NEPJUHHUSA-N 2 2 282.388 0.200 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCNC2=O)[C@H](C)C1 ZINC000175721671 389545564 /nfs/dbraw/zinc/54/55/64/389545564.db2.gz OINYBAZPMBZEJC-NEPJUHHUSA-N 2 2 282.388 0.200 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCNC2=O)[C@H](C)C1 ZINC000175721671 389545567 /nfs/dbraw/zinc/54/55/67/389545567.db2.gz OINYBAZPMBZEJC-NEPJUHHUSA-N 2 2 282.388 0.200 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCNC2=O)[C@H](C)C1 ZINC000175721671 389545570 /nfs/dbraw/zinc/54/55/70/389545570.db2.gz OINYBAZPMBZEJC-NEPJUHHUSA-N 2 2 282.388 0.200 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000423156151 389546056 /nfs/dbraw/zinc/54/60/56/389546056.db2.gz RWGPQAOWOFGAPG-YIYPIFLZSA-N 2 2 253.390 0.437 20 0 CCADLP Cn1c[nH+]cc1CN1CC[NH+](CC2CCOCC2)CC1 ZINC000177086076 389571248 /nfs/dbraw/zinc/57/12/48/389571248.db2.gz ONPWYXZRFDHLTN-UHFFFAOYSA-N 2 2 278.400 0.964 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NCCn2cc[nH+]c2)C[N@H+]1C1CC1 ZINC000176485724 389558762 /nfs/dbraw/zinc/55/87/62/389558762.db2.gz ARAHTZRWDLKSNA-VXGBXAGGSA-N 2 2 277.372 0.808 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000423313298 389563354 /nfs/dbraw/zinc/56/33/54/389563354.db2.gz FJGNUODMXQEOIC-CYBMUJFWSA-N 2 2 269.389 0.295 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCO[C@H](C(C)C)C2)CC1 ZINC000351136538 389565909 /nfs/dbraw/zinc/56/59/09/389565909.db2.gz APGMZKSODRNVLV-HNNXBMFYSA-N 2 2 297.443 0.944 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCO[C@H](C(C)C)C2)CC1 ZINC000351136538 389565914 /nfs/dbraw/zinc/56/59/14/389565914.db2.gz APGMZKSODRNVLV-HNNXBMFYSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H]1CCC[N@H+](CCNC(=O)[C@H]([NH3+])c2cscn2)C1 ZINC000423330397 389566728 /nfs/dbraw/zinc/56/67/28/389566728.db2.gz NQMNJBYDBMIUKC-CMPLNLGQSA-N 2 2 282.413 0.991 20 0 CCADLP C[C@H]1CCC[N@@H+](CCNC(=O)[C@H]([NH3+])c2cscn2)C1 ZINC000423330397 389566731 /nfs/dbraw/zinc/56/67/31/389566731.db2.gz NQMNJBYDBMIUKC-CMPLNLGQSA-N 2 2 282.413 0.991 20 0 CCADLP C[C@H]1CCC[N@H+](CCNC(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000423330398 389567129 /nfs/dbraw/zinc/56/71/29/389567129.db2.gz NQMNJBYDBMIUKC-JQWIXIFHSA-N 2 2 282.413 0.991 20 0 CCADLP C[C@H]1CCC[N@@H+](CCNC(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000423330398 389567133 /nfs/dbraw/zinc/56/71/33/389567133.db2.gz NQMNJBYDBMIUKC-JQWIXIFHSA-N 2 2 282.413 0.991 20 0 CCADLP CC[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422865949 389496084 /nfs/dbraw/zinc/49/60/84/389496084.db2.gz ZMHHMDOZCWECOH-ZNMIVQPWSA-N 3 2 268.449 0.743 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@@H](C)[NH+]1CCOCC1)[C@H](C)[NH3+] ZINC000423335679 389568252 /nfs/dbraw/zinc/56/82/52/389568252.db2.gz UCKOZRRYDVTFHL-AGIUHOORSA-N 2 2 271.405 0.443 20 0 CCADLP Cn1cc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cn1 ZINC000374798215 389609061 /nfs/dbraw/zinc/60/90/61/389609061.db2.gz JKUQVJUKSSMCBE-UHFFFAOYSA-N 2 2 294.399 0.079 20 0 CCADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)C[C@H]3CCCC[C@@H]3[NH3+])C[C@@H]21 ZINC000423934261 389615511 /nfs/dbraw/zinc/61/55/11/389615511.db2.gz VEFOQDXVJYTMIT-CBBWQLFWSA-N 2 2 295.427 0.826 20 0 CCADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)C[C@H]3CCCC[C@@H]3[NH3+])C[C@@H]21 ZINC000423934261 389615514 /nfs/dbraw/zinc/61/55/14/389615514.db2.gz VEFOQDXVJYTMIT-CBBWQLFWSA-N 2 2 295.427 0.826 20 0 CCADLP Cc1c([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cnn1C ZINC000351591512 389625260 /nfs/dbraw/zinc/62/52/60/389625260.db2.gz FJZLPXRHFRJNGS-ZWNOBZJWSA-N 2 2 266.389 0.834 20 0 CCADLP Cc1c([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cnn1C ZINC000351591512 389625265 /nfs/dbraw/zinc/62/52/65/389625265.db2.gz FJZLPXRHFRJNGS-ZWNOBZJWSA-N 2 2 266.389 0.834 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000414743831 389634229 /nfs/dbraw/zinc/63/42/29/389634229.db2.gz PFLRIKWXEDACTM-WDEREUQCSA-N 2 2 263.407 0.113 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000414743831 389634231 /nfs/dbraw/zinc/63/42/31/389634231.db2.gz PFLRIKWXEDACTM-WDEREUQCSA-N 2 2 263.407 0.113 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+](C)CCCNC(=O)C1CCC1)C1CC1 ZINC000351628816 389640730 /nfs/dbraw/zinc/64/07/30/389640730.db2.gz NSYVYUPIYZYEKH-OAHLLOKOSA-N 2 2 297.443 0.680 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+](C)CCCNC(=O)C1CCC1)C1CC1 ZINC000351628816 389640734 /nfs/dbraw/zinc/64/07/34/389640734.db2.gz NSYVYUPIYZYEKH-OAHLLOKOSA-N 2 2 297.443 0.680 20 0 CCADLP C[NH+](CCCNC(=O)C1CCC1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351628816 389640736 /nfs/dbraw/zinc/64/07/36/389640736.db2.gz NSYVYUPIYZYEKH-OAHLLOKOSA-N 2 2 297.443 0.680 20 0 CCADLP C[NH+](CCCNC(=O)C1CCC1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351628816 389640740 /nfs/dbraw/zinc/64/07/40/389640740.db2.gz NSYVYUPIYZYEKH-OAHLLOKOSA-N 2 2 297.443 0.680 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[NH2+]CCN2C)[C@H](C)C1 ZINC000414970963 389648700 /nfs/dbraw/zinc/64/87/00/389648700.db2.gz HGTOHMMFVVBZLF-MCIONIFRSA-N 3 2 254.422 0.210 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2C[NH2+]CCN2C)[C@H](C)C1 ZINC000414970963 389648705 /nfs/dbraw/zinc/64/87/05/389648705.db2.gz HGTOHMMFVVBZLF-MCIONIFRSA-N 3 2 254.422 0.210 20 0 CCADLP Cc1ccc2[nH+]cc(C[NH2+]CCN3CC[NH2+]CC3)n2c1 ZINC000414873547 389642372 /nfs/dbraw/zinc/64/23/72/389642372.db2.gz YAVSZRKXYUAHMH-UHFFFAOYSA-N 3 2 273.384 0.638 20 0 CCADLP CCCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000423372824 389574843 /nfs/dbraw/zinc/57/48/43/389574843.db2.gz HGENRUQQFNMFGF-NSHDSACASA-N 2 2 270.402 0.991 20 0 CCADLP CCCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000423372824 389574851 /nfs/dbraw/zinc/57/48/51/389574851.db2.gz HGENRUQQFNMFGF-NSHDSACASA-N 2 2 270.402 0.991 20 0 CCADLP CC(C)[N@H+](CC(N)=O)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177236994 389575834 /nfs/dbraw/zinc/57/58/34/389575834.db2.gz YTNUVZPOOIPEJV-UHFFFAOYSA-N 2 2 273.340 0.963 20 0 CCADLP CC(C)[N@@H+](CC(N)=O)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177236994 389575836 /nfs/dbraw/zinc/57/58/36/389575836.db2.gz YTNUVZPOOIPEJV-UHFFFAOYSA-N 2 2 273.340 0.963 20 0 CCADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1cccc(S(N)(=O)=O)c1 ZINC000423378760 389576533 /nfs/dbraw/zinc/57/65/33/389576533.db2.gz ZTYCRLGTEMPPPD-UHIISALHSA-N 2 2 297.424 0.983 20 0 CCADLP COC(=O)[C@@H]1CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)[C@H]1C ZINC000425330409 389645016 /nfs/dbraw/zinc/64/50/16/389645016.db2.gz APHLTDDLIGOWTH-CMPLNLGQSA-N 2 2 280.372 0.870 20 0 CCADLP COC(=O)[C@@H]1CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)[C@H]1C ZINC000425330409 389645021 /nfs/dbraw/zinc/64/50/21/389645021.db2.gz APHLTDDLIGOWTH-CMPLNLGQSA-N 2 2 280.372 0.870 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423382449 389576682 /nfs/dbraw/zinc/57/66/82/389576682.db2.gz IOGCPFWAUUOVQE-WDEREUQCSA-N 2 2 262.419 0.787 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)N1CCCC1 ZINC000374419846 389578106 /nfs/dbraw/zinc/57/81/06/389578106.db2.gz JEESKXCXPPXIQK-QLFBSQMISA-N 2 2 295.427 0.792 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC(=O)N1CCCC1 ZINC000374419846 389578110 /nfs/dbraw/zinc/57/81/10/389578110.db2.gz JEESKXCXPPXIQK-QLFBSQMISA-N 2 2 295.427 0.792 20 0 CCADLP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1c[nH+]c(N(C)C)n1C ZINC000425373253 389645453 /nfs/dbraw/zinc/64/54/53/389645453.db2.gz VAWRWGDBLKJRNE-STQMWFEESA-N 2 2 295.431 0.373 20 0 CCADLP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1c[nH+]c(N(C)C)n1C ZINC000425373253 389645454 /nfs/dbraw/zinc/64/54/54/389645454.db2.gz VAWRWGDBLKJRNE-STQMWFEESA-N 2 2 295.431 0.373 20 0 CCADLP CN(CC(F)(F)F)C(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351486815 389589869 /nfs/dbraw/zinc/58/98/69/389589869.db2.gz BGHSELQIHIFQLO-AEJSXWLSSA-N 2 2 279.306 0.676 20 0 CCADLP CN(CC(F)(F)F)C(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351486815 389589871 /nfs/dbraw/zinc/58/98/71/389589871.db2.gz BGHSELQIHIFQLO-AEJSXWLSSA-N 2 2 279.306 0.676 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n(C)n1 ZINC000351487877 389589974 /nfs/dbraw/zinc/58/99/74/389589974.db2.gz DAOHNRSIQJYYDA-TUAOUCFPSA-N 2 2 277.372 0.336 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n(C)n1 ZINC000351487877 389589977 /nfs/dbraw/zinc/58/99/77/389589977.db2.gz DAOHNRSIQJYYDA-TUAOUCFPSA-N 2 2 277.372 0.336 20 0 CCADLP COCCc1noc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000351488102 389590002 /nfs/dbraw/zinc/59/00/02/389590002.db2.gz DQAMAZPCMXKKJQ-HBNTYKKESA-N 2 2 266.345 0.428 20 0 CCADLP COCCc1noc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000351488102 389590006 /nfs/dbraw/zinc/59/00/06/389590006.db2.gz DQAMAZPCMXKKJQ-HBNTYKKESA-N 2 2 266.345 0.428 20 0 CCADLP C[C@H](C[NH3+])CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000423469808 389590870 /nfs/dbraw/zinc/59/08/70/389590870.db2.gz YWHKNBRICFXFPN-DGCLKSJQSA-N 2 2 269.389 0.198 20 0 CCADLP C[C@H](C[NH3+])CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000423469808 389590871 /nfs/dbraw/zinc/59/08/71/389590871.db2.gz YWHKNBRICFXFPN-DGCLKSJQSA-N 2 2 269.389 0.198 20 0 CCADLP CC(=O)N1CCC(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000335711014 389592350 /nfs/dbraw/zinc/59/23/50/389592350.db2.gz RHUSSCZYLBEUQY-RISCZKNCSA-N 2 2 253.390 0.785 20 0 CCADLP CC(=O)N1CCC(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000335711014 389592354 /nfs/dbraw/zinc/59/23/54/389592354.db2.gz RHUSSCZYLBEUQY-RISCZKNCSA-N 2 2 253.390 0.785 20 0 CCADLP CC(=O)N1CCC(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000335711012 389592404 /nfs/dbraw/zinc/59/24/04/389592404.db2.gz RHUSSCZYLBEUQY-BXUZGUMPSA-N 2 2 253.390 0.785 20 0 CCADLP CC(=O)N1CCC(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000335711012 389592409 /nfs/dbraw/zinc/59/24/09/389592409.db2.gz RHUSSCZYLBEUQY-BXUZGUMPSA-N 2 2 253.390 0.785 20 0 CCADLP CC(C)C(=O)N1CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)CC1 ZINC000351493669 389593788 /nfs/dbraw/zinc/59/37/88/389593788.db2.gz MWJAOPPSBYVBFD-OAHLLOKOSA-N 2 2 297.443 0.632 20 0 CCADLP CC(C)C(=O)N1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351493669 389593791 /nfs/dbraw/zinc/59/37/91/389593791.db2.gz MWJAOPPSBYVBFD-OAHLLOKOSA-N 2 2 297.443 0.632 20 0 CCADLP CC(C)C(=O)N1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351493669 389593793 /nfs/dbraw/zinc/59/37/93/389593793.db2.gz MWJAOPPSBYVBFD-OAHLLOKOSA-N 2 2 297.443 0.632 20 0 CCADLP Cc1ccc(CCC[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)c[nH+]1 ZINC000351496477 389595088 /nfs/dbraw/zinc/59/50/88/389595088.db2.gz WOACPXSLYNJTPB-AWEZNQCLSA-N 2 2 297.424 0.946 20 0 CCADLP Cc1ccc(CCC[N@H+]2CC[C@H](NS(C)(=O)=O)C2)c[nH+]1 ZINC000351496477 389595092 /nfs/dbraw/zinc/59/50/92/389595092.db2.gz WOACPXSLYNJTPB-AWEZNQCLSA-N 2 2 297.424 0.946 20 0 CCADLP CO[C@H](C)c1noc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000351498852 389595642 /nfs/dbraw/zinc/59/56/42/389595642.db2.gz WEMPHYKVXWBCCB-YTWAJWBKSA-N 2 2 266.345 0.946 20 0 CCADLP CO[C@H](C)c1noc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000351498852 389595645 /nfs/dbraw/zinc/59/56/45/389595645.db2.gz WEMPHYKVXWBCCB-YTWAJWBKSA-N 2 2 266.345 0.946 20 0 CCADLP COCC[N@@H+]1CC[C@H](N[C@H](C[NH3+])C2CCCC2)C1 ZINC000423501725 389596614 /nfs/dbraw/zinc/59/66/14/389596614.db2.gz LNHGMBCWODKVLA-UONOGXRCSA-N 2 2 255.406 0.814 20 0 CCADLP COCC[N@H+]1CC[C@H](N[C@H](C[NH3+])C2CCCC2)C1 ZINC000423501725 389596616 /nfs/dbraw/zinc/59/66/16/389596616.db2.gz LNHGMBCWODKVLA-UONOGXRCSA-N 2 2 255.406 0.814 20 0 CCADLP C[C@@H]1CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@H]1O ZINC000425382093 389646054 /nfs/dbraw/zinc/64/60/54/389646054.db2.gz NOIRBGFUPATCOC-ZYHUDNBSSA-N 2 2 252.362 0.689 20 0 CCADLP C[C@@H]1CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@H]1O ZINC000425382093 389646058 /nfs/dbraw/zinc/64/60/58/389646058.db2.gz NOIRBGFUPATCOC-ZYHUDNBSSA-N 2 2 252.362 0.689 20 0 CCADLP COc1cc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCN2C)c(F)cn1 ZINC000423526050 389600094 /nfs/dbraw/zinc/60/00/94/389600094.db2.gz UWFQHYMQMOQDJE-WDEREUQCSA-N 2 2 282.363 0.784 20 0 CCADLP C[N@H+](CC(=O)N1CCNC1=O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375748101 389708385 /nfs/dbraw/zinc/70/83/85/389708385.db2.gz XQDBKOKZJHMKGC-FOSCPWQOSA-N 2 2 280.372 0.095 20 0 CCADLP C[N@@H+](CC(=O)N1CCNC1=O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375748101 389708387 /nfs/dbraw/zinc/70/83/87/389708387.db2.gz XQDBKOKZJHMKGC-FOSCPWQOSA-N 2 2 280.372 0.095 20 0 CCADLP C[NH+](CC(=O)N1CCNC1=O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375748101 389708388 /nfs/dbraw/zinc/70/83/88/389708388.db2.gz XQDBKOKZJHMKGC-FOSCPWQOSA-N 2 2 280.372 0.095 20 0 CCADLP C[NH+](CC(=O)N1CCNC1=O)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375748101 389708391 /nfs/dbraw/zinc/70/83/91/389708391.db2.gz XQDBKOKZJHMKGC-FOSCPWQOSA-N 2 2 280.372 0.095 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000375816008 389716561 /nfs/dbraw/zinc/71/65/61/389716561.db2.gz QGCYLNJURHXVNL-NSHDSACASA-N 2 2 282.388 0.391 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000375816008 389716563 /nfs/dbraw/zinc/71/65/63/389716563.db2.gz QGCYLNJURHXVNL-NSHDSACASA-N 2 2 282.388 0.391 20 0 CCADLP OCCO[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000182783763 389716816 /nfs/dbraw/zinc/71/68/16/389716816.db2.gz RISBCAGWJLYVFI-CYBMUJFWSA-N 2 2 253.346 0.747 20 0 CCADLP OCCO[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000182783763 389716820 /nfs/dbraw/zinc/71/68/20/389716820.db2.gz RISBCAGWJLYVFI-CYBMUJFWSA-N 2 2 253.346 0.747 20 0 CCADLP CCOc1cccc(C[NH2+]C[C@H]2C[NH2+]CCN2C)n1 ZINC000414969690 389649375 /nfs/dbraw/zinc/64/93/75/389649375.db2.gz SZEREGMWVZTTCA-CYBMUJFWSA-N 2 2 264.373 0.474 20 0 CCADLP CCOC(=O)Cn1nc(C)c(C[NH2+]C[C@H]([NH3+])CC)c1C ZINC000414981848 389650240 /nfs/dbraw/zinc/65/02/40/389650240.db2.gz CHCFNHATCDLBSI-GFCCVEGCSA-N 2 2 282.388 0.890 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC2)CC1 ZINC000179280111 389651444 /nfs/dbraw/zinc/65/14/44/389651444.db2.gz FHWYBYBIGRAEJF-UHFFFAOYSA-N 2 2 254.378 0.428 20 0 CCADLP C[N@@H+](Cc1cccc2c1OCCO2)C[C@@H](O)C[NH3+] ZINC000415055564 389653826 /nfs/dbraw/zinc/65/38/26/389653826.db2.gz NHYZSNRBSJYOAM-NSHDSACASA-N 2 2 252.314 0.209 20 0 CCADLP C[N@H+](Cc1cccc2c1OCCO2)C[C@@H](O)C[NH3+] ZINC000415055564 389653832 /nfs/dbraw/zinc/65/38/32/389653832.db2.gz NHYZSNRBSJYOAM-NSHDSACASA-N 2 2 252.314 0.209 20 0 CCADLP c1cc(NC[C@@H]2CCC[NH2+]C2)[nH+]cc1N1CCOCC1 ZINC000415081736 389655455 /nfs/dbraw/zinc/65/54/55/389655455.db2.gz KWXGXFLFUYFMTP-CYBMUJFWSA-N 2 2 276.384 0.752 20 0 CCADLP C[N@@H+](Cc1cccc2c1OC(F)(F)O2)C[C@@H](O)C[NH3+] ZINC000415070228 389655505 /nfs/dbraw/zinc/65/55/05/389655505.db2.gz QEJNLFYHTDRDHA-VIFPVBQESA-N 2 2 274.267 0.760 20 0 CCADLP C[N@H+](Cc1cccc2c1OC(F)(F)O2)C[C@@H](O)C[NH3+] ZINC000415070228 389655506 /nfs/dbraw/zinc/65/55/06/389655506.db2.gz QEJNLFYHTDRDHA-VIFPVBQESA-N 2 2 274.267 0.760 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)CC1 ZINC000375357490 389669446 /nfs/dbraw/zinc/66/94/46/389669446.db2.gz VMFIVDYFOZNWDZ-KBPBESRZSA-N 2 2 281.400 0.404 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)CC1 ZINC000375357490 389669448 /nfs/dbraw/zinc/66/94/48/389669448.db2.gz VMFIVDYFOZNWDZ-KBPBESRZSA-N 2 2 281.400 0.404 20 0 CCADLP Cc1cc(NC(=O)N[C@@H](CC[NH3+])C(F)F)cc[nH+]1 ZINC000415401232 389680806 /nfs/dbraw/zinc/68/08/06/389680806.db2.gz UNLFKIKXSKZJAL-VIFPVBQESA-N 2 2 258.272 0.916 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000351855273 389699441 /nfs/dbraw/zinc/69/94/41/389699441.db2.gz SIJYZXAIFREHRK-GWCFXTLKSA-N 2 2 265.401 0.960 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000351855273 389699442 /nfs/dbraw/zinc/69/94/42/389699442.db2.gz SIJYZXAIFREHRK-GWCFXTLKSA-N 2 2 265.401 0.960 20 0 CCADLP CN(C(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1)C1C[NH2+]C1 ZINC000415733852 389700164 /nfs/dbraw/zinc/70/01/64/389700164.db2.gz IQQRSINHYZPXAK-UHFFFAOYSA-N 2 2 299.334 0.241 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000351860436 389702044 /nfs/dbraw/zinc/70/20/44/389702044.db2.gz IJWMDHYNWUAWDN-QWHCGFSZSA-N 2 2 297.424 0.634 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000351860436 389702048 /nfs/dbraw/zinc/70/20/48/389702048.db2.gz IJWMDHYNWUAWDN-QWHCGFSZSA-N 2 2 297.424 0.634 20 0 CCADLP C[NH+](C)CCC[NH2+][C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000182191614 389703362 /nfs/dbraw/zinc/70/33/62/389703362.db2.gz BWLMVGVNFRRMIS-RYUDHWBXSA-N 2 2 262.419 0.884 20 0 CCADLP CCOC(=O)[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000388820988 389770832 /nfs/dbraw/zinc/77/08/32/389770832.db2.gz WGTIWNZVYQUIKN-QWHCGFSZSA-N 2 2 272.389 0.574 20 0 CCADLP CCOC(=O)[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000388820988 389770834 /nfs/dbraw/zinc/77/08/34/389770834.db2.gz WGTIWNZVYQUIKN-QWHCGFSZSA-N 2 2 272.389 0.574 20 0 CCADLP CCOC(=O)[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)CC)C1 ZINC000388820988 389770835 /nfs/dbraw/zinc/77/08/35/389770835.db2.gz WGTIWNZVYQUIKN-QWHCGFSZSA-N 2 2 272.389 0.574 20 0 CCADLP CCOC(=O)[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)CC)C1 ZINC000388820988 389770837 /nfs/dbraw/zinc/77/08/37/389770837.db2.gz WGTIWNZVYQUIKN-QWHCGFSZSA-N 2 2 272.389 0.574 20 0 CCADLP CC(C)(CNC(=O)NC[C@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000416812303 389773017 /nfs/dbraw/zinc/77/30/17/389773017.db2.gz DRSRTWHUYZGMTL-GFCCVEGCSA-N 2 2 284.404 0.148 20 0 CCADLP CC1(C)CCC[NH2+][C@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000416857123 389776634 /nfs/dbraw/zinc/77/66/34/389776634.db2.gz RNSVTJZAJBQGNW-LBPRGKRZSA-N 2 2 279.388 0.961 20 0 CCADLP C[NH+](C)Cc1cnc(C[NH2+]CCOCCO)s1 ZINC000352240305 389777013 /nfs/dbraw/zinc/77/70/13/389777013.db2.gz GFNOOTZXTXXWMV-UHFFFAOYSA-N 2 2 259.375 0.303 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCOC(F)F ZINC000398245035 389781364 /nfs/dbraw/zinc/78/13/64/389781364.db2.gz GSQGCBHVQXLPRE-NXEZZACHSA-N 2 2 252.305 0.972 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000417003961 389788484 /nfs/dbraw/zinc/78/84/84/389788484.db2.gz CDEMFOQWMPPBNR-GFCCVEGCSA-N 2 2 291.399 0.946 20 0 CCADLP CN(C)c1ccc(CNC(=O)NCC(C)(C)[NH3+])c[nH+]1 ZINC000417007933 389789237 /nfs/dbraw/zinc/78/92/37/389789237.db2.gz LPGPCZBFCKTYEL-UHFFFAOYSA-N 2 2 265.361 0.684 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000417024886 389790828 /nfs/dbraw/zinc/79/08/28/389790828.db2.gz LDASKNGQERTRPX-CHWSQXEVSA-N 2 2 284.404 0.230 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429020439 389734169 /nfs/dbraw/zinc/73/41/69/389734169.db2.gz LYPITRXZONHSFM-OAHLLOKOSA-N 2 2 296.415 0.640 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429020439 389734171 /nfs/dbraw/zinc/73/41/71/389734171.db2.gz LYPITRXZONHSFM-OAHLLOKOSA-N 2 2 296.415 0.640 20 0 CCADLP CCCCNC(=O)NC(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429020439 389734172 /nfs/dbraw/zinc/73/41/72/389734172.db2.gz LYPITRXZONHSFM-OAHLLOKOSA-N 2 2 296.415 0.640 20 0 CCADLP CCCCNC(=O)NC(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000429020439 389734174 /nfs/dbraw/zinc/73/41/74/389734174.db2.gz LYPITRXZONHSFM-OAHLLOKOSA-N 2 2 296.415 0.640 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)C[NH+](C)[C@@H]1CCSC1 ZINC000352029959 389738967 /nfs/dbraw/zinc/73/89/67/389738967.db2.gz SWSKJUHRWRQWLD-JHJVBQTASA-N 2 2 285.457 0.975 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)C[NH+](C)[C@@H]1CCSC1 ZINC000352029959 389738970 /nfs/dbraw/zinc/73/89/70/389738970.db2.gz SWSKJUHRWRQWLD-JHJVBQTASA-N 2 2 285.457 0.975 20 0 CCADLP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000352029959 389738971 /nfs/dbraw/zinc/73/89/71/389738971.db2.gz SWSKJUHRWRQWLD-JHJVBQTASA-N 2 2 285.457 0.975 20 0 CCADLP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000352029959 389738973 /nfs/dbraw/zinc/73/89/73/389738973.db2.gz SWSKJUHRWRQWLD-JHJVBQTASA-N 2 2 285.457 0.975 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cnc(C)nc3)C2)CC1 ZINC000352046094 389741201 /nfs/dbraw/zinc/74/12/01/389741201.db2.gz KDNVWRLZXCIFBE-MRXNPFEDSA-N 2 2 289.427 0.997 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnc(C)nc3)C2)CC1 ZINC000352046094 389741204 /nfs/dbraw/zinc/74/12/04/389741204.db2.gz KDNVWRLZXCIFBE-MRXNPFEDSA-N 2 2 289.427 0.997 20 0 CCADLP C[C@@H]1CN(C(=O)NCCCn2cc[nH+]c2)[C@@H](C)C[NH2+]1 ZINC000416443345 389744231 /nfs/dbraw/zinc/74/42/31/389744231.db2.gz ZBKYVZYVXUQLRS-NEPJUHHUSA-N 2 2 265.361 0.665 20 0 CCADLP C[NH+](C)CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000377314460 389747388 /nfs/dbraw/zinc/74/73/88/389747388.db2.gz NXQQYHLFXAIJIB-LBPRGKRZSA-N 2 2 276.384 0.998 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000352093898 389751188 /nfs/dbraw/zinc/75/11/88/389751188.db2.gz VJCSAXUNCKJCII-CHWSQXEVSA-N 2 2 291.461 0.682 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000352093898 389751191 /nfs/dbraw/zinc/75/11/91/389751191.db2.gz VJCSAXUNCKJCII-CHWSQXEVSA-N 2 2 291.461 0.682 20 0 CCADLP C[NH2+]CCNC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000417242908 389805291 /nfs/dbraw/zinc/80/52/91/389805291.db2.gz PFMSIPLYZDGKQE-UHFFFAOYSA-N 2 2 261.329 0.661 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCCN1C(=O)NC(C)(C)C1=O ZINC000430547182 389806035 /nfs/dbraw/zinc/80/60/35/389806035.db2.gz UIDPLBTVNDVLJJ-LLVKDONJSA-N 2 2 282.388 0.391 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+]1CCCN1C(=O)NC(C)(C)C1=O ZINC000430547182 389806038 /nfs/dbraw/zinc/80/60/38/389806038.db2.gz UIDPLBTVNDVLJJ-LLVKDONJSA-N 2 2 282.388 0.391 20 0 CCADLP COCCc1noc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000430567172 389808281 /nfs/dbraw/zinc/80/82/81/389808281.db2.gz AHNSCQWQMQOCBE-QWRGUYRKSA-N 2 2 268.361 0.818 20 0 CCADLP COCCc1noc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000430567172 389808283 /nfs/dbraw/zinc/80/82/83/389808283.db2.gz AHNSCQWQMQOCBE-QWRGUYRKSA-N 2 2 268.361 0.818 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@](C)(C[NH3+])C2CC2)CC1 ZINC000430591574 389810945 /nfs/dbraw/zinc/81/09/45/389810945.db2.gz KMLFBKUETIJWJC-MRXNPFEDSA-N 3 2 296.459 0.692 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000430609124 389812138 /nfs/dbraw/zinc/81/21/38/389812138.db2.gz GRAAYCWAHMYESD-OLZOCXBDSA-N 2 2 298.431 0.788 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000430609124 389812141 /nfs/dbraw/zinc/81/21/41/389812141.db2.gz GRAAYCWAHMYESD-OLZOCXBDSA-N 2 2 298.431 0.788 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000430643796 389816013 /nfs/dbraw/zinc/81/60/13/389816013.db2.gz SLHFCHADAMJSBX-YPMHNXCESA-N 2 2 251.374 0.681 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000430643796 389816015 /nfs/dbraw/zinc/81/60/15/389816015.db2.gz SLHFCHADAMJSBX-YPMHNXCESA-N 2 2 251.374 0.681 20 0 CCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)NCc1[nH+]ccn1C ZINC000417479132 389819931 /nfs/dbraw/zinc/81/99/31/389819931.db2.gz JNWXRQDGLNRKRL-LLVKDONJSA-N 2 2 265.361 0.704 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NCC1([NH3+])CCCCC1 ZINC000417484836 389819987 /nfs/dbraw/zinc/81/99/87/389819987.db2.gz VQPYSOBBKNUFRF-UHFFFAOYSA-N 2 2 265.361 0.881 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000417507774 389823222 /nfs/dbraw/zinc/82/32/22/389823222.db2.gz PJYSAYBGAAHMAS-LBPRGKRZSA-N 2 2 284.404 0.148 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000417507774 389823224 /nfs/dbraw/zinc/82/32/24/389823224.db2.gz PJYSAYBGAAHMAS-LBPRGKRZSA-N 2 2 284.404 0.148 20 0 CCADLP C[C@H](NC(=O)NC1CCC([NH3+])CC1)[C@H](C)[NH+]1CCOCC1 ZINC000417517461 389824779 /nfs/dbraw/zinc/82/47/79/389824779.db2.gz IZUDDLKTIOEVEH-FEPKRQSRSA-N 2 2 298.431 0.665 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N[C@@H](C[NH3+])C1CC1)[NH+]1CCOCC1 ZINC000417522201 389825822 /nfs/dbraw/zinc/82/58/22/389825822.db2.gz PYFAUEFYRWQVIL-LOWVWBTDSA-N 2 2 284.404 0.132 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N1CC[C@H]([NH3+])[C@@H]1C)[NH+]1CCOCC1 ZINC000417521302 389825890 /nfs/dbraw/zinc/82/58/90/389825890.db2.gz PDLSKOWNCDVRLV-RNJOBUHISA-N 2 2 284.404 0.227 20 0 CCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000417529624 389826875 /nfs/dbraw/zinc/82/68/75/389826875.db2.gz QYSMUMCECWFHAY-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000417529624 389826876 /nfs/dbraw/zinc/82/68/76/389826876.db2.gz QYSMUMCECWFHAY-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H](CC(=O)NCC[N@@H+]1CCOC[C@H]1C)C1CC[NH2+]CC1 ZINC000430892500 389832464 /nfs/dbraw/zinc/83/24/64/389832464.db2.gz FRDYVVJUOQAPNW-UONOGXRCSA-N 2 2 297.443 0.849 20 0 CCADLP C[C@@H](CC(=O)NCC[N@H+]1CCOC[C@H]1C)C1CC[NH2+]CC1 ZINC000430892500 389832466 /nfs/dbraw/zinc/83/24/66/389832466.db2.gz FRDYVVJUOQAPNW-UONOGXRCSA-N 2 2 297.443 0.849 20 0 CCADLP Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH3+])C2)on1 ZINC000430930446 389836606 /nfs/dbraw/zinc/83/66/06/389836606.db2.gz ATHWTMKWXNFCAM-UWVGGRQHSA-N 2 2 252.318 0.591 20 0 CCADLP Cc1cc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH3+])C2)on1 ZINC000430930446 389836608 /nfs/dbraw/zinc/83/66/08/389836608.db2.gz ATHWTMKWXNFCAM-UWVGGRQHSA-N 2 2 252.318 0.591 20 0 CCADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)NCCOc2cccc(F)c2)C1 ZINC000430950328 389839549 /nfs/dbraw/zinc/83/95/49/389839549.db2.gz QZNIYZGIXRXZQU-GFCCVEGCSA-N 2 2 295.358 0.601 20 0 CCADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)NCCOc2cccc(F)c2)C1 ZINC000430950328 389839551 /nfs/dbraw/zinc/83/95/51/389839551.db2.gz QZNIYZGIXRXZQU-GFCCVEGCSA-N 2 2 295.358 0.601 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430950942 389839569 /nfs/dbraw/zinc/83/95/69/389839569.db2.gz SWYPWDHDILJGBO-KGLIPLIRSA-N 2 2 285.432 0.834 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430950942 389839573 /nfs/dbraw/zinc/83/95/73/389839573.db2.gz SWYPWDHDILJGBO-KGLIPLIRSA-N 2 2 285.432 0.834 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000430960321 389840854 /nfs/dbraw/zinc/84/08/54/389840854.db2.gz IHJGOBVUKFKLKU-ZDUSSCGKSA-N 3 2 294.443 0.271 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000430960321 389840856 /nfs/dbraw/zinc/84/08/56/389840856.db2.gz IHJGOBVUKFKLKU-ZDUSSCGKSA-N 3 2 294.443 0.271 20 0 CCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430965821 389841465 /nfs/dbraw/zinc/84/14/65/389841465.db2.gz MPAYVSMXLYMEHP-GMTAPVOTSA-N 2 2 284.404 0.668 20 0 CCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430965821 389841467 /nfs/dbraw/zinc/84/14/67/389841467.db2.gz MPAYVSMXLYMEHP-GMTAPVOTSA-N 2 2 284.404 0.668 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)NCC(F)(F)C[NH3+] ZINC000417731125 389847200 /nfs/dbraw/zinc/84/72/00/389847200.db2.gz FJRIHXQAGIGHFD-UHFFFAOYSA-N 2 2 289.330 0.932 20 0 CCADLP O=C([C@H]1C[NH2+]CCO1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000431045088 389847270 /nfs/dbraw/zinc/84/72/70/389847270.db2.gz MOUKXBHUPHFKRD-LLVKDONJSA-N 2 2 264.329 0.104 20 0 CCADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@H]2CC[C@@H]([NH3+])C2)no1 ZINC000431039015 389847389 /nfs/dbraw/zinc/84/73/89/389847389.db2.gz GBXGJPIPSFSWRI-VHSXEESVSA-N 2 2 295.387 0.610 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000431042721 389847450 /nfs/dbraw/zinc/84/74/50/389847450.db2.gz KLCLOPGBKPGUBR-SECBINFHSA-N 2 2 283.376 0.338 20 0 CCADLP CCOCCCNC(=O)C1CC[NH+](C[C@@H](C)[NH3+])CC1 ZINC000442661733 389853998 /nfs/dbraw/zinc/85/39/98/389853998.db2.gz CZMPAJXGETWUKB-GFCCVEGCSA-N 2 2 271.405 0.588 20 0 CCADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)C1(C(=O)OC)CCC1 ZINC000354092709 389858839 /nfs/dbraw/zinc/85/88/39/389858839.db2.gz OWNRIRLFAPHACB-KGLIPLIRSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)C1(C(=O)OC)CCC1 ZINC000354092709 389858843 /nfs/dbraw/zinc/85/88/43/389858843.db2.gz OWNRIRLFAPHACB-KGLIPLIRSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H](C[NH3+])CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000417887482 389861283 /nfs/dbraw/zinc/86/12/83/389861283.db2.gz KZJSNUBEWAKIHH-JTQLQIEISA-N 2 2 261.329 0.728 20 0 CCADLP CO[C@H](C)c1noc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)n1 ZINC000442760959 389861819 /nfs/dbraw/zinc/86/18/19/389861819.db2.gz WEENFJRGHRZQIX-IVZWLZJFSA-N 2 2 254.334 0.946 20 0 CCADLP CO[C@H](C)c1noc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)n1 ZINC000442760959 389861820 /nfs/dbraw/zinc/86/18/20/389861820.db2.gz WEENFJRGHRZQIX-IVZWLZJFSA-N 2 2 254.334 0.946 20 0 CCADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCNS(=O)(=O)c1ccccc1 ZINC000442764448 389862008 /nfs/dbraw/zinc/86/20/08/389862008.db2.gz TWCHFIBXEZZXNR-STQMWFEESA-N 2 2 297.424 0.634 20 0 CCADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCNS(=O)(=O)c1ccccc1 ZINC000442764448 389862009 /nfs/dbraw/zinc/86/20/09/389862009.db2.gz TWCHFIBXEZZXNR-STQMWFEESA-N 2 2 297.424 0.634 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCC[NH+]1CCOCC1 ZINC000431620635 389863371 /nfs/dbraw/zinc/86/33/71/389863371.db2.gz ADAIBIFZGPNLMA-CQSZACIVSA-N 2 2 283.416 0.699 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CCC(=O)NCC[NH+]1CCOCC1 ZINC000431620635 389863372 /nfs/dbraw/zinc/86/33/72/389863372.db2.gz ADAIBIFZGPNLMA-CQSZACIVSA-N 2 2 283.416 0.699 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418626139 389881089 /nfs/dbraw/zinc/88/10/89/389881089.db2.gz RWFKVVVDLWSGAW-CQSZACIVSA-N 2 2 298.431 0.478 20 0 CCADLP Cn1c(NC[C@@H]2C[N@H+](C)CCO2)[nH+]c2cccc(F)c21 ZINC000443516898 389881117 /nfs/dbraw/zinc/88/11/17/389881117.db2.gz GDEDBXUUJAXSPO-SNVBAGLBSA-N 2 2 278.331 0.877 20 0 CCADLP Cn1c(NC[C@@H]2C[N@@H+](C)CCO2)[nH+]c2cccc(F)c21 ZINC000443516898 389881120 /nfs/dbraw/zinc/88/11/20/389881120.db2.gz GDEDBXUUJAXSPO-SNVBAGLBSA-N 2 2 278.331 0.877 20 0 CCADLP CC(C)[C@@H](C[NH3+])C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000433157458 389901914 /nfs/dbraw/zinc/90/19/14/389901914.db2.gz MIVQNZZKQHCOKJ-GFCCVEGCSA-N 2 2 264.373 0.995 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418501362 389877207 /nfs/dbraw/zinc/87/72/07/389877207.db2.gz RAADFRPPRFJQJY-AAEUAGOBSA-N 2 2 284.404 0.086 20 0 CCADLP CN(CC1CC1)C(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435623538 389959433 /nfs/dbraw/zinc/95/94/33/389959433.db2.gz HHHBWZDWWDVOQV-CYBMUJFWSA-N 2 2 253.390 0.929 20 0 CCADLP CN(CC1CC1)C(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435623538 389959434 /nfs/dbraw/zinc/95/94/34/389959434.db2.gz HHHBWZDWWDVOQV-CYBMUJFWSA-N 2 2 253.390 0.929 20 0 CCADLP C[NH2+]C[C@H](C)CNc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000420189222 389964047 /nfs/dbraw/zinc/96/40/47/389964047.db2.gz GCVCNXGHYVHVEI-JTQLQIEISA-N 2 2 266.393 0.750 20 0 CCADLP C[NH2+]C[C@H](C)CNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000420189222 389964048 /nfs/dbraw/zinc/96/40/48/389964048.db2.gz GCVCNXGHYVHVEI-JTQLQIEISA-N 2 2 266.393 0.750 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000447825300 389966427 /nfs/dbraw/zinc/96/64/27/389966427.db2.gz CJQHMHKETKOMLZ-ZDUSSCGKSA-N 2 2 283.416 0.507 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000447825300 389966428 /nfs/dbraw/zinc/96/64/28/389966428.db2.gz CJQHMHKETKOMLZ-ZDUSSCGKSA-N 2 2 283.416 0.507 20 0 CCADLP Cc1nc2[nH]ccc2c(NC[C@@H]2C[N@H+](C)CCO2)[nH+]1 ZINC000433782605 389919130 /nfs/dbraw/zinc/91/91/30/389919130.db2.gz JSMUIFCWVDEWHQ-SNVBAGLBSA-N 2 2 261.329 0.431 20 0 CCADLP Cc1nc2[nH]ccc2c(NC[C@@H]2C[N@@H+](C)CCO2)[nH+]1 ZINC000433782605 389919133 /nfs/dbraw/zinc/91/91/33/389919133.db2.gz JSMUIFCWVDEWHQ-SNVBAGLBSA-N 2 2 261.329 0.431 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1(N2CCOCC2)CC1 ZINC000446974083 389943744 /nfs/dbraw/zinc/94/37/44/389943744.db2.gz GWVZNXGKXOIMGV-UKRRQHHQSA-N 2 2 279.428 0.924 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1(N2CCOCC2)CC1 ZINC000446974083 389943746 /nfs/dbraw/zinc/94/37/46/389943746.db2.gz GWVZNXGKXOIMGV-UKRRQHHQSA-N 2 2 279.428 0.924 20 0 CCADLP Cc1cccc2nc(C[NH2+]CC3([NH3+])CCC3)cc(=O)n12 ZINC000420317344 389982863 /nfs/dbraw/zinc/98/28/63/389982863.db2.gz ZKRWJZWZOIDDCE-UHFFFAOYSA-N 2 2 272.352 0.974 20 0 CCADLP CN(CCc1[nH+]c2ccccc2n1C)[C@H]1C[NH2+]C[C@@H]1O ZINC000420348213 389987106 /nfs/dbraw/zinc/98/71/06/389987106.db2.gz KEBBIDFBWKHXQN-KBPBESRZSA-N 2 2 274.368 0.380 20 0 CCADLP CSc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000420350478 389988248 /nfs/dbraw/zinc/98/82/48/389988248.db2.gz GZTHSNCWTWSXDO-JQWIXIFHSA-N 2 2 297.424 0.987 20 0 CCADLP CSc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000420350478 389988249 /nfs/dbraw/zinc/98/82/49/389988249.db2.gz GZTHSNCWTWSXDO-JQWIXIFHSA-N 2 2 297.424 0.987 20 0 CCADLP COC(=O)CCNC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420355104 389990460 /nfs/dbraw/zinc/99/04/60/389990460.db2.gz BRQQWQXHZHSMTO-LBPRGKRZSA-N 2 2 285.388 0.163 20 0 CCADLP Cc1ccc([C@@H](C)NC(=O)C[N@H+](C)C[C@@H](O)C[NH3+])cc1C ZINC000420361996 389991932 /nfs/dbraw/zinc/99/19/32/389991932.db2.gz YTLJGYDGTGDJAT-HIFRSBDPSA-N 2 2 293.411 0.732 20 0 CCADLP Cc1ccc([C@@H](C)NC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])cc1C ZINC000420361996 389991933 /nfs/dbraw/zinc/99/19/33/389991933.db2.gz YTLJGYDGTGDJAT-HIFRSBDPSA-N 2 2 293.411 0.732 20 0 CCADLP CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420361876 389992313 /nfs/dbraw/zinc/99/23/13/389992313.db2.gz YQPNFMPAGUVCHX-NWDGAFQWSA-N 2 2 298.387 0.154 20 0 CCADLP CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420361876 389992314 /nfs/dbraw/zinc/99/23/14/389992314.db2.gz YQPNFMPAGUVCHX-NWDGAFQWSA-N 2 2 298.387 0.154 20 0 CCADLP C[C@@H]1CSC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000449119603 389992512 /nfs/dbraw/zinc/99/25/12/389992512.db2.gz AGFMUHQLFWOWNM-GRYCIOLGSA-N 2 2 271.430 0.667 20 0 CCADLP C[C@@H]1CSC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000449119603 389992514 /nfs/dbraw/zinc/99/25/14/389992514.db2.gz AGFMUHQLFWOWNM-GRYCIOLGSA-N 2 2 271.430 0.667 20 0 CCADLP COC(=O)c1cccc(OCC[N@H+](C)CC[NH3+])c1 ZINC000420378199 389994909 /nfs/dbraw/zinc/99/49/09/389994909.db2.gz LRCYQMUHYVHXHP-UHFFFAOYSA-N 2 2 252.314 0.743 20 0 CCADLP COC(=O)c1cccc(OCC[N@@H+](C)CC[NH3+])c1 ZINC000420378199 389994911 /nfs/dbraw/zinc/99/49/11/389994911.db2.gz LRCYQMUHYVHXHP-UHFFFAOYSA-N 2 2 252.314 0.743 20 0 CCADLP Cn1c(C[NH2+][C@H](C[NH3+])C2CCCCC2)cc(=O)n(C)c1=O ZINC000420382209 389995132 /nfs/dbraw/zinc/99/51/32/389995132.db2.gz ZMOXDOGXQBYMAQ-CYBMUJFWSA-N 2 2 294.399 0.081 20 0 CCADLP C[NH2+]CCC[N@H+](C)CC(=O)NCCc1ccccc1OC ZINC000420382448 389995236 /nfs/dbraw/zinc/99/52/36/389995236.db2.gz ALICPOKITCYXDP-UHFFFAOYSA-N 2 2 293.411 0.895 20 0 CCADLP C[NH2+]CCC[N@@H+](C)CC(=O)NCCc1ccccc1OC ZINC000420382448 389995239 /nfs/dbraw/zinc/99/52/39/389995239.db2.gz ALICPOKITCYXDP-UHFFFAOYSA-N 2 2 293.411 0.895 20 0 CCADLP C[C@@H](C(=O)NCc1ccccc1)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420391538 389996295 /nfs/dbraw/zinc/99/62/95/389996295.db2.gz OMFHPHZBDLQMSL-DZGCQCFKSA-N 2 2 291.395 0.741 20 0 CCADLP C[C@@H](C(=O)NCc1ccccc1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420391538 389996296 /nfs/dbraw/zinc/99/62/96/389996296.db2.gz OMFHPHZBDLQMSL-DZGCQCFKSA-N 2 2 291.395 0.741 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccncc2)C[C@H]1C[NH3+] ZINC000420390673 389996354 /nfs/dbraw/zinc/99/63/54/389996354.db2.gz ACVOZCQIENIAHU-VXGBXAGGSA-N 2 2 262.357 0.359 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccncc2)C[C@H]1C[NH3+] ZINC000420390673 389996355 /nfs/dbraw/zinc/99/63/55/389996355.db2.gz ACVOZCQIENIAHU-VXGBXAGGSA-N 2 2 262.357 0.359 20 0 CCADLP CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420397272 389996587 /nfs/dbraw/zinc/99/65/87/389996587.db2.gz XAILBDJTMSQDSM-GJZGRUSLSA-N 2 2 291.395 0.866 20 0 CCADLP CN(C)C(=O)[C@H](c1ccccc1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420397272 389996588 /nfs/dbraw/zinc/99/65/88/389996588.db2.gz XAILBDJTMSQDSM-GJZGRUSLSA-N 2 2 291.395 0.866 20 0 CCADLP CCOC(=O)[C@@H]([NH2+]CCN1CC[NH2+]CC1)[C@@H](C)CC ZINC000420414604 389998701 /nfs/dbraw/zinc/99/87/01/389998701.db2.gz UMPPNSCENMUQHB-STQMWFEESA-N 2 2 271.405 0.459 20 0 CCADLP C[N@H+](CC[C@H]1CCOC1)C1CC[NH+](CCO)CC1 ZINC000438111807 390001010 /nfs/dbraw/zinc/00/10/10/390001010.db2.gz WTCXFYQECXEVAW-ZDUSSCGKSA-N 2 2 256.390 0.802 20 0 CCADLP C[N@@H+](CC[C@H]1CCOC1)C1CC[NH+](CCO)CC1 ZINC000438111807 390001013 /nfs/dbraw/zinc/00/10/13/390001013.db2.gz WTCXFYQECXEVAW-ZDUSSCGKSA-N 2 2 256.390 0.802 20 0 CCADLP CC[C@H](C(=O)N1CC[N@H+](CCO)C[C@@H]1C)[NH+](CC)CC ZINC000457111301 390030613 /nfs/dbraw/zinc/03/06/13/390030613.db2.gz FDVMEVRYNFDLOU-UONOGXRCSA-N 2 2 285.432 0.632 20 0 CCADLP CC[C@H](C(=O)N1CC[N@@H+](CCO)C[C@@H]1C)[NH+](CC)CC ZINC000457111301 390030615 /nfs/dbraw/zinc/03/06/15/390030615.db2.gz FDVMEVRYNFDLOU-UONOGXRCSA-N 2 2 285.432 0.632 20 0 CCADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000457139230 390032263 /nfs/dbraw/zinc/03/22/63/390032263.db2.gz WYASQYFGSOAJJI-LBPRGKRZSA-N 2 2 288.351 0.473 20 0 CCADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000457139230 390032266 /nfs/dbraw/zinc/03/22/66/390032266.db2.gz WYASQYFGSOAJJI-LBPRGKRZSA-N 2 2 288.351 0.473 20 0 CCADLP C[C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)[NH+](C)C ZINC000459042105 390068347 /nfs/dbraw/zinc/06/83/47/390068347.db2.gz OMXOJALPKKFXAX-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP c1n[nH]cc1CC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000459340283 390072985 /nfs/dbraw/zinc/07/29/85/390072985.db2.gz IGJPKTHORWVNAU-HNNXBMFYSA-N 2 2 278.400 0.996 20 0 CCADLP c1n[nH]cc1CC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000459340283 390072986 /nfs/dbraw/zinc/07/29/86/390072986.db2.gz IGJPKTHORWVNAU-HNNXBMFYSA-N 2 2 278.400 0.996 20 0 CCADLP CS[C@@H]1CN(CCc2c[nH+]cn2C)C[C@@H]1[NH+](C)C ZINC000459391242 390073882 /nfs/dbraw/zinc/07/38/82/390073882.db2.gz OIYYUUAKSYSLAN-QWHCGFSZSA-N 2 2 268.430 0.940 20 0 CCADLP CS[C@@H]1C[N@H+](CCc2c[nH+]cn2C)C[C@@H]1N(C)C ZINC000459391242 390073883 /nfs/dbraw/zinc/07/38/83/390073883.db2.gz OIYYUUAKSYSLAN-QWHCGFSZSA-N 2 2 268.430 0.940 20 0 CCADLP CS[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)C[C@@H]1N(C)C ZINC000459391242 390073884 /nfs/dbraw/zinc/07/38/84/390073884.db2.gz OIYYUUAKSYSLAN-QWHCGFSZSA-N 2 2 268.430 0.940 20 0 CCADLP C[NH+](C)CCOCCNC(=O)NCCNc1cccc[nH+]1 ZINC000471647405 390078062 /nfs/dbraw/zinc/07/80/62/390078062.db2.gz PQLRJJSOOBTRMY-UHFFFAOYSA-N 2 2 295.387 0.371 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000479303067 390081602 /nfs/dbraw/zinc/08/16/02/390081602.db2.gz AKGUHXSIMVCDFB-NSHDSACASA-N 2 2 279.388 0.897 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000486925268 390082880 /nfs/dbraw/zinc/08/28/80/390082880.db2.gz LYPBKCAMNDUUDM-MCIONIFRSA-N 2 2 288.395 0.974 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000486925268 390082881 /nfs/dbraw/zinc/08/28/81/390082881.db2.gz LYPBKCAMNDUUDM-MCIONIFRSA-N 2 2 288.395 0.974 20 0 CCADLP C[N@@H+]1CCN(C(=O)/C=C\C2CCCC2)[C@H](C[NH3+])C1 ZINC000493055610 390118847 /nfs/dbraw/zinc/11/88/47/390118847.db2.gz SPEMTGCITVUKRX-FMFIFOJESA-N 2 2 251.374 0.834 20 0 CCADLP C[N@H+]1CCN(C(=O)/C=C\C2CCCC2)[C@H](C[NH3+])C1 ZINC000493055610 390118848 /nfs/dbraw/zinc/11/88/48/390118848.db2.gz SPEMTGCITVUKRX-FMFIFOJESA-N 2 2 251.374 0.834 20 0 CCADLP COCC[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCC[C@H]1C ZINC000487972462 390090894 /nfs/dbraw/zinc/09/08/94/390090894.db2.gz MNRFFJRUBXURDF-HUUCEWRRSA-N 2 2 297.443 0.897 20 0 CCADLP COCC[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCC[C@H]1C ZINC000487972462 390090895 /nfs/dbraw/zinc/09/08/95/390090895.db2.gz MNRFFJRUBXURDF-HUUCEWRRSA-N 2 2 297.443 0.897 20 0 CCADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)/C=C/c3[nH]cc[nH+]3)C[C@@H]21 ZINC000493144214 390119478 /nfs/dbraw/zinc/11/94/78/390119478.db2.gz CWSJHPARXPIKBV-LMZQTDFCSA-N 2 2 276.340 0.354 20 0 CCADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)/C=C/c3[nH]cc[nH+]3)C[C@@H]21 ZINC000493144214 390119479 /nfs/dbraw/zinc/11/94/79/390119479.db2.gz CWSJHPARXPIKBV-LMZQTDFCSA-N 2 2 276.340 0.354 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493191451 390120589 /nfs/dbraw/zinc/12/05/89/390120589.db2.gz PBHFUQFIWMAGCT-BTBCPRSTSA-N 2 2 290.367 0.745 20 0 CCADLP C[NH+](C)C/C=C\C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000491643652 390115473 /nfs/dbraw/zinc/11/54/73/390115473.db2.gz PBOLPJJSAZYSNA-ARJAWSKDSA-N 2 2 288.395 0.844 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)c2ccc(C[NH+](C)C)nc2)C1 ZINC000457727104 390049016 /nfs/dbraw/zinc/04/90/16/390049016.db2.gz SIGLSOLEGGWXSG-UHFFFAOYSA-N 2 2 276.384 0.966 20 0 CCADLP CN(C)C(=O)c1cccc(NC(=O)C[N@H+](C)CCC[NH3+])c1 ZINC000647849336 390191580 /nfs/dbraw/zinc/19/15/80/390191580.db2.gz PPFYQGFBVMRDSO-UHFFFAOYSA-N 2 2 292.383 0.608 20 0 CCADLP CN(C)C(=O)c1cccc(NC(=O)C[N@@H+](C)CCC[NH3+])c1 ZINC000647849336 390191581 /nfs/dbraw/zinc/19/15/81/390191581.db2.gz PPFYQGFBVMRDSO-UHFFFAOYSA-N 2 2 292.383 0.608 20 0 CCADLP Cc1ncc(/C=C/C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])s1 ZINC000493361201 390124134 /nfs/dbraw/zinc/12/41/34/390124134.db2.gz WTIKUOAFVHELET-UFFNRZRYSA-N 2 2 280.397 0.566 20 0 CCADLP Cc1ncc(/C=C/C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])s1 ZINC000493361201 390124135 /nfs/dbraw/zinc/12/41/35/390124135.db2.gz WTIKUOAFVHELET-UFFNRZRYSA-N 2 2 280.397 0.566 20 0 CCADLP C[N@@H+]1CCN(C(=O)/C=C\c2ccsc2)[C@H](C[NH3+])C1 ZINC000493609589 390127426 /nfs/dbraw/zinc/12/74/26/390127426.db2.gz DFECXUYRWXCIFX-ZZKXABKFSA-N 2 2 265.382 0.863 20 0 CCADLP C[N@H+]1CCN(C(=O)/C=C\c2ccsc2)[C@H](C[NH3+])C1 ZINC000493609589 390127427 /nfs/dbraw/zinc/12/74/27/390127427.db2.gz DFECXUYRWXCIFX-ZZKXABKFSA-N 2 2 265.382 0.863 20 0 CCADLP CNC(=O)NC(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534861923 390132081 /nfs/dbraw/zinc/13/20/81/390132081.db2.gz YKANFRNIHPFQIQ-UHFFFAOYSA-N 2 2 291.355 0.414 20 0 CCADLP COC(=O)N1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000494022872 390140694 /nfs/dbraw/zinc/14/06/94/390140694.db2.gz GSVTZLWVAJRSON-UHFFFAOYSA-N 2 2 266.345 0.966 20 0 CCADLP C[C@H](C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1)CS(C)(=O)=O ZINC000535315504 390142691 /nfs/dbraw/zinc/14/26/91/390142691.db2.gz XUODBWDRAYFKTB-VXGBXAGGSA-N 2 2 285.413 0.890 20 0 CCADLP C[C@H](C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1)CS(C)(=O)=O ZINC000535315504 390142695 /nfs/dbraw/zinc/14/26/95/390142695.db2.gz XUODBWDRAYFKTB-VXGBXAGGSA-N 2 2 285.413 0.890 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)NCc2cccnc2)C1 ZINC000535316786 390143007 /nfs/dbraw/zinc/14/30/07/390143007.db2.gz VPXSQLRAGRTIJL-CQSZACIVSA-N 2 2 299.378 0.921 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)NCc2cccnc2)C1 ZINC000535316786 390143010 /nfs/dbraw/zinc/14/30/10/390143010.db2.gz VPXSQLRAGRTIJL-CQSZACIVSA-N 2 2 299.378 0.921 20 0 CCADLP CCCCNC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000579593273 390189043 /nfs/dbraw/zinc/18/90/43/390189043.db2.gz ZKKKNSLAVIMYIE-CQSZACIVSA-N 2 2 253.390 0.978 20 0 CCADLP CCCCNC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000579593273 390189050 /nfs/dbraw/zinc/18/90/50/390189050.db2.gz ZKKKNSLAVIMYIE-CQSZACIVSA-N 2 2 253.390 0.978 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000644150326 390148082 /nfs/dbraw/zinc/14/80/82/390148082.db2.gz JUUGVSRLXFARAZ-NWDGAFQWSA-N 2 2 262.357 0.632 20 0 CCADLP O=S1(=O)CC[C@H](C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)C1 ZINC000647903733 390212546 /nfs/dbraw/zinc/21/25/46/390212546.db2.gz OWNKHEUAYZVUMX-MGPQQGTHSA-N 2 2 286.441 0.885 20 0 CCADLP O=S1(=O)CC[C@H](C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)C1 ZINC000647903733 390212552 /nfs/dbraw/zinc/21/25/52/390212552.db2.gz OWNKHEUAYZVUMX-MGPQQGTHSA-N 2 2 286.441 0.885 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ncnn3CCF)C[C@@H]21 ZINC000647907637 390214030 /nfs/dbraw/zinc/21/40/30/390214030.db2.gz OKWATUFJCUMRIR-SDDRHHMPSA-N 2 2 267.352 0.807 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ncnn3CCF)C[C@@H]21 ZINC000647907637 390214033 /nfs/dbraw/zinc/21/40/33/390214033.db2.gz OKWATUFJCUMRIR-SDDRHHMPSA-N 2 2 267.352 0.807 20 0 CCADLP C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000647906735 390214043 /nfs/dbraw/zinc/21/40/43/390214043.db2.gz WSMFOLQZOFNTRU-AEJSXWLSSA-N 2 2 279.392 0.080 20 0 CCADLP C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000647906735 390214045 /nfs/dbraw/zinc/21/40/45/390214045.db2.gz WSMFOLQZOFNTRU-AEJSXWLSSA-N 2 2 279.392 0.080 20 0 CCADLP COC(C)(C)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000540065573 390216490 /nfs/dbraw/zinc/21/64/90/390216490.db2.gz AFZVYZXZQFNOJQ-UHFFFAOYSA-N 2 2 257.378 0.117 20 0 CCADLP COC(C)(C)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000540065573 390216493 /nfs/dbraw/zinc/21/64/93/390216493.db2.gz AFZVYZXZQFNOJQ-UHFFFAOYSA-N 2 2 257.378 0.117 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000647931257 390220111 /nfs/dbraw/zinc/22/01/11/390220111.db2.gz UUROFMHKXRVJJA-HIFRSBDPSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000647931257 390220115 /nfs/dbraw/zinc/22/01/15/390220115.db2.gz UUROFMHKXRVJJA-HIFRSBDPSA-N 2 2 295.427 0.840 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000647937447 390223025 /nfs/dbraw/zinc/22/30/25/390223025.db2.gz ZIYQRALZKZHNCQ-VXGBXAGGSA-N 2 2 257.378 0.198 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000647937447 390223026 /nfs/dbraw/zinc/22/30/26/390223026.db2.gz ZIYQRALZKZHNCQ-VXGBXAGGSA-N 2 2 257.378 0.198 20 0 CCADLP Cc1cc(NC(=O)CC[N@@H+]2CCn3c[nH+]cc3C2)no1 ZINC000647940734 390223928 /nfs/dbraw/zinc/22/39/28/390223928.db2.gz VKROIYSUULXBPV-UHFFFAOYSA-N 2 2 275.312 0.446 20 0 CCADLP Cc1cc(NC(=O)CC[N@H+]2CCn3c[nH+]cc3C2)no1 ZINC000647940734 390223930 /nfs/dbraw/zinc/22/39/30/390223930.db2.gz VKROIYSUULXBPV-UHFFFAOYSA-N 2 2 275.312 0.446 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]Cc2ccoc2)C[C@H](C)O1 ZINC000580184500 390226178 /nfs/dbraw/zinc/22/61/78/390226178.db2.gz FBCUERPCPJTSRA-SCRDCRAPSA-N 2 2 268.357 0.839 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]Cc2ccoc2)C[C@H](C)O1 ZINC000580184500 390226181 /nfs/dbraw/zinc/22/61/81/390226181.db2.gz FBCUERPCPJTSRA-SCRDCRAPSA-N 2 2 268.357 0.839 20 0 CCADLP c1nc(N2CC[NH+](C3CC3)CC2)c2c([nH+]1)NCCO2 ZINC000647861005 390196230 /nfs/dbraw/zinc/19/62/30/390196230.db2.gz IUENKLMRKGIONY-UHFFFAOYSA-N 2 2 261.329 0.565 20 0 CCADLP CC[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C1CCOCC1 ZINC000579691222 390197524 /nfs/dbraw/zinc/19/75/24/390197524.db2.gz JWCDHEBGDQJHKY-KBPBESRZSA-N 2 2 298.431 0.476 20 0 CCADLP CC[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C1CCOCC1 ZINC000579691222 390197530 /nfs/dbraw/zinc/19/75/30/390197530.db2.gz JWCDHEBGDQJHKY-KBPBESRZSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H]([NH3+])CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000647990041 390239829 /nfs/dbraw/zinc/23/98/29/390239829.db2.gz VBWABTGTMOONCZ-JKXDFHQYSA-N 3 2 266.433 0.576 20 0 CCADLP C[C@@H]([NH3+])CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000647990041 390239831 /nfs/dbraw/zinc/23/98/31/390239831.db2.gz VBWABTGTMOONCZ-JKXDFHQYSA-N 3 2 266.433 0.576 20 0 CCADLP O=C(c1ccccn1)N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647988507 390240120 /nfs/dbraw/zinc/24/01/20/390240120.db2.gz TWTNMMLDEHPCGO-CYBMUJFWSA-N 2 2 274.368 0.449 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](CC(N)=O)C(C)(C)C ZINC000647967235 390233987 /nfs/dbraw/zinc/23/39/87/390233987.db2.gz ZWZYFMQQMYPNSN-LLVKDONJSA-N 2 2 259.394 0.273 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](CC(N)=O)C(C)(C)C ZINC000647967235 390233989 /nfs/dbraw/zinc/23/39/89/390233989.db2.gz ZWZYFMQQMYPNSN-LLVKDONJSA-N 2 2 259.394 0.273 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](CC(N)=O)C(C)(C)C ZINC000647967235 390233991 /nfs/dbraw/zinc/23/39/91/390233991.db2.gz ZWZYFMQQMYPNSN-LLVKDONJSA-N 2 2 259.394 0.273 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](CC(N)=O)C(C)(C)C ZINC000647967235 390233992 /nfs/dbraw/zinc/23/39/92/390233992.db2.gz ZWZYFMQQMYPNSN-LLVKDONJSA-N 2 2 259.394 0.273 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]Cc2cccc(O)c2)C[C@H](C)O1 ZINC000582058392 390255284 /nfs/dbraw/zinc/25/52/84/390255284.db2.gz ZNMWIWTZWPSRJV-DVOMOZLQSA-N 2 2 294.395 0.952 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]Cc2cccc(O)c2)C[C@H](C)O1 ZINC000582058392 390255288 /nfs/dbraw/zinc/25/52/88/390255288.db2.gz ZNMWIWTZWPSRJV-DVOMOZLQSA-N 2 2 294.395 0.952 20 0 CCADLP CC(C)(CNC(=O)C[NH2+]C1(C2CC2)CC1)[NH+]1CCOCC1 ZINC000542524561 390262610 /nfs/dbraw/zinc/26/26/10/390262610.db2.gz DSIAAMKIXGZGBJ-UHFFFAOYSA-N 2 2 295.427 0.746 20 0 CCADLP CC[N@@H+]1C[C@H](C)N(C(=O)[C@H](C)N2CC[NH+](C)CC2)C[C@H]1C ZINC000542650303 390265680 /nfs/dbraw/zinc/26/56/80/390265680.db2.gz NOZIODRRMRZRFV-ILXRZTDVSA-N 2 2 296.459 0.563 20 0 CCADLP CC[N@H+]1C[C@H](C)N(C(=O)[C@H](C)N2CC[NH+](C)CC2)C[C@H]1C ZINC000542650303 390265682 /nfs/dbraw/zinc/26/56/82/390265682.db2.gz NOZIODRRMRZRFV-ILXRZTDVSA-N 2 2 296.459 0.563 20 0 CCADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1cn[nH]c1)CCO2 ZINC000648071870 390269828 /nfs/dbraw/zinc/26/98/28/390269828.db2.gz YQRBSOMZDNKFST-UHFFFAOYSA-N 2 2 250.346 0.706 20 0 CCADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cn[nH]c1)CCO2 ZINC000648071870 390269832 /nfs/dbraw/zinc/26/98/32/390269832.db2.gz YQRBSOMZDNKFST-UHFFFAOYSA-N 2 2 250.346 0.706 20 0 CCADLP COCCOC[C@H](O)C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000644643324 390275059 /nfs/dbraw/zinc/27/50/59/390275059.db2.gz MMCDKOCJMUJBMI-CYBMUJFWSA-N 2 2 283.372 0.333 20 0 CCADLP CC[C@@H]1C(=O)NCC[N@H+]1CCCc1c[nH+]cn1C ZINC000583638644 390302752 /nfs/dbraw/zinc/30/27/52/390302752.db2.gz FBZBIOQTDJRXFK-GFCCVEGCSA-N 2 2 250.346 0.563 20 0 CCADLP CC[C@@H]1C(=O)NCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000583638644 390302757 /nfs/dbraw/zinc/30/27/57/390302757.db2.gz FBZBIOQTDJRXFK-GFCCVEGCSA-N 2 2 250.346 0.563 20 0 CCADLP CCC(=O)N1CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)CC1 ZINC000583662551 390303377 /nfs/dbraw/zinc/30/33/77/390303377.db2.gz JCIUIQABTFKXJU-CQSZACIVSA-N 2 2 283.416 0.386 20 0 CCADLP CCC(=O)N1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000583662551 390303383 /nfs/dbraw/zinc/30/33/83/390303383.db2.gz JCIUIQABTFKXJU-CQSZACIVSA-N 2 2 283.416 0.386 20 0 CCADLP CCC(=O)N1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000583662551 390303387 /nfs/dbraw/zinc/30/33/87/390303387.db2.gz JCIUIQABTFKXJU-CQSZACIVSA-N 2 2 283.416 0.386 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000583751184 390308274 /nfs/dbraw/zinc/30/82/74/390308274.db2.gz HXDJSPPUKAOFFU-MRXNPFEDSA-N 2 2 284.363 1.000 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1cccs1 ZINC000583811321 390313892 /nfs/dbraw/zinc/31/38/92/390313892.db2.gz QIPZDDWJRWCMOO-MNOVXSKESA-N 2 2 267.398 0.953 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1cccs1 ZINC000583811321 390313894 /nfs/dbraw/zinc/31/38/94/390313894.db2.gz QIPZDDWJRWCMOO-MNOVXSKESA-N 2 2 267.398 0.953 20 0 CCADLP COCC[NH+]1CCC([NH2+]Cc2nnc3n2CCCC3)CC1 ZINC000545457694 390329281 /nfs/dbraw/zinc/32/92/81/390329281.db2.gz RINNMNDYZSYYAL-UHFFFAOYSA-N 2 2 293.415 0.815 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)C[NH+]1CCOCC1 ZINC000584004704 390334280 /nfs/dbraw/zinc/33/42/80/390334280.db2.gz SEHHHSOTYVUEIJ-HZSPNIEDSA-N 3 2 255.406 0.814 20 0 CCADLP COC(=O)CN1CCC([NH2+]CC[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000545949403 390337806 /nfs/dbraw/zinc/33/78/06/390337806.db2.gz UBYYLYAOQBWFOW-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP COC(=O)CN1CCC([NH2+]CC[N@H+]2CC[C@@H](C)C2)CC1 ZINC000545949403 390337809 /nfs/dbraw/zinc/33/78/09/390337809.db2.gz UBYYLYAOQBWFOW-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@H](CC(=O)N1CC[N@H+](C)C[C@H]1C)n1cc[nH+]c1 ZINC000584355058 390338468 /nfs/dbraw/zinc/33/84/68/390338468.db2.gz JIKGVCFXPGGLFP-VXGBXAGGSA-N 2 2 250.346 0.997 20 0 CCADLP C[C@H](CC(=O)N1CC[N@@H+](C)C[C@H]1C)n1cc[nH+]c1 ZINC000584355058 390338469 /nfs/dbraw/zinc/33/84/69/390338469.db2.gz JIKGVCFXPGGLFP-VXGBXAGGSA-N 2 2 250.346 0.997 20 0 CCADLP CN(C)c1[nH+]cc(CN2CC[C@@H]3C[N@H+](C)C[C@@H]32)n1C ZINC000644903696 390343645 /nfs/dbraw/zinc/34/36/45/390343645.db2.gz DNRGDOORMJOJHQ-YPMHNXCESA-N 2 2 263.389 0.622 20 0 CCADLP CN(C)c1[nH+]cc(CN2CC[C@@H]3C[N@@H+](C)C[C@@H]32)n1C ZINC000644903696 390343648 /nfs/dbraw/zinc/34/36/48/390343648.db2.gz DNRGDOORMJOJHQ-YPMHNXCESA-N 2 2 263.389 0.622 20 0 CCADLP COC(=O)N1CC([NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])C1 ZINC000497039193 390407333 /nfs/dbraw/zinc/40/73/33/390407333.db2.gz VEUWOBYZDOMKJE-BXUZGUMPSA-N 2 2 277.368 0.985 20 0 CCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000648798639 390412408 /nfs/dbraw/zinc/41/24/08/390412408.db2.gz RQCAAIDBVVXBFI-QLFBSQMISA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC[N@H+]1C ZINC000648798639 390412411 /nfs/dbraw/zinc/41/24/11/390412411.db2.gz RQCAAIDBVVXBFI-QLFBSQMISA-N 2 2 295.427 0.650 20 0 CCADLP COC[C@]1(C[NH2+]Cc2cnc(N(C)C)nc2)CCC[NH2+]1 ZINC000414938883 533235504 /nfs/dbraw/zinc/23/55/04/533235504.db2.gz FLUAXPKFLIAIID-CQSZACIVSA-N 2 2 279.388 0.401 20 0 CCADLP C[C@H](Nc1nc(N)[nH+]c2c1CCCC2)[C@H]1C[N@H+](C)CCO1 ZINC000645193540 390386472 /nfs/dbraw/zinc/38/64/72/390386472.db2.gz JCXSGRSPUKXWQA-GXFFZTMASA-N 2 2 291.399 0.321 20 0 CCADLP C[C@H](Nc1nc(N)[nH+]c2c1CCCC2)[C@H]1C[N@@H+](C)CCO1 ZINC000645193540 390386473 /nfs/dbraw/zinc/38/64/73/390386473.db2.gz JCXSGRSPUKXWQA-GXFFZTMASA-N 2 2 291.399 0.321 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000565491674 390518902 /nfs/dbraw/zinc/51/89/02/390518902.db2.gz MOIBQEAWUUGBHJ-LBPRGKRZSA-N 2 2 294.399 0.815 20 0 CCADLP CC(C)C[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000645843145 390508952 /nfs/dbraw/zinc/50/89/52/390508952.db2.gz AKHNKLNIZVSUHO-GFCCVEGCSA-N 2 2 271.405 0.587 20 0 CCADLP CC(C)C[C@@H]([NH3+])C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000645843145 390508954 /nfs/dbraw/zinc/50/89/54/390508954.db2.gz AKHNKLNIZVSUHO-GFCCVEGCSA-N 2 2 271.405 0.587 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H](CO)Cc1ccco1 ZINC000643450989 390447283 /nfs/dbraw/zinc/44/72/83/390447283.db2.gz PQKJBNNDCANUAQ-MCIONIFRSA-N 2 2 282.384 0.787 20 0 CCADLP CCn1cc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cn1 ZINC000643464818 390450103 /nfs/dbraw/zinc/45/01/03/390450103.db2.gz XNDYHXDRDYLGJG-ZIAGYGMSSA-N 2 2 264.373 0.760 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)Nc1ccc(N(C)CCO)c[nH+]1 ZINC000643478615 390453271 /nfs/dbraw/zinc/45/32/71/390453271.db2.gz NPXZXBWZGHFCAP-CHWSQXEVSA-N 2 2 294.399 0.689 20 0 CCADLP CN1CC[C@H](C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1=O ZINC000515637237 390476493 /nfs/dbraw/zinc/47/64/93/390476493.db2.gz IMWPTJAUZNZHFB-LNSITVRQSA-N 2 2 281.400 0.211 20 0 CCADLP CO[C@@H]1C[C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C12CCC2 ZINC000515523289 390476696 /nfs/dbraw/zinc/47/66/96/390476696.db2.gz XSQIJXHQSLQKKR-RWMBFGLXSA-N 2 2 296.415 0.228 20 0 CCADLP CO[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C12CCC2 ZINC000515523289 390476701 /nfs/dbraw/zinc/47/67/01/390476701.db2.gz XSQIJXHQSLQKKR-RWMBFGLXSA-N 2 2 296.415 0.228 20 0 CCADLP CC[C@H](Cn1cncn1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000516354557 390481170 /nfs/dbraw/zinc/48/11/70/390481170.db2.gz SFXKYEWLSFCRNL-GHMZBOCLSA-N 2 2 260.345 0.927 20 0 CCADLP CC[C@H](Cn1cncn1)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000516354557 390481172 /nfs/dbraw/zinc/48/11/72/390481172.db2.gz SFXKYEWLSFCRNL-GHMZBOCLSA-N 2 2 260.345 0.927 20 0 CCADLP Cc1[nH+]c2n(c1C)CCN(C(=O)[C@H]1CC[NH2+][C@@H]1C)C2 ZINC000646043852 390582282 /nfs/dbraw/zinc/58/22/82/390582282.db2.gz LCZGALGCJDESSG-PWSUYJOCSA-N 2 2 262.357 0.840 20 0 CCADLP Cc1cccc2[nH+]c(CCNC(=O)C[NH+](C)C)cn21 ZINC000649206877 390522874 /nfs/dbraw/zinc/52/28/74/390522874.db2.gz IXEATDPJUYXDKV-UHFFFAOYSA-N 2 2 260.341 0.863 20 0 CCADLP C[C@H](c1nnnn1C1CC1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000519653963 390525176 /nfs/dbraw/zinc/52/51/76/390525176.db2.gz MWOPIHILSYSYRQ-OPRDCNLKSA-N 2 2 250.350 0.738 20 0 CCADLP C[C@H](c1nnnn1C1CC1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000519653963 390525184 /nfs/dbraw/zinc/52/51/84/390525184.db2.gz MWOPIHILSYSYRQ-OPRDCNLKSA-N 2 2 250.350 0.738 20 0 CCADLP CC[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C(F)(F)F ZINC000565880632 390554993 /nfs/dbraw/zinc/55/49/93/390554993.db2.gz PWTKMDQHXKEENS-BDAKNGLRSA-N 2 2 282.310 0.612 20 0 CCADLP CC[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C(F)(F)F ZINC000565880632 390554996 /nfs/dbraw/zinc/55/49/96/390554996.db2.gz PWTKMDQHXKEENS-BDAKNGLRSA-N 2 2 282.310 0.612 20 0 CCADLP C[C@@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645977698 390555542 /nfs/dbraw/zinc/55/55/42/390555542.db2.gz JAYWNOCZKHHUQY-VXGBXAGGSA-N 3 2 268.405 0.008 20 0 CCADLP C[C@@H]([NH3+])CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645977698 390555545 /nfs/dbraw/zinc/55/55/45/390555545.db2.gz JAYWNOCZKHHUQY-VXGBXAGGSA-N 3 2 268.405 0.008 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645977537 390556085 /nfs/dbraw/zinc/55/60/85/390556085.db2.gz FXTMZAAIRFMJBT-TZMCWYRMSA-N 3 2 282.432 0.254 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645977537 390556087 /nfs/dbraw/zinc/55/60/87/390556087.db2.gz FXTMZAAIRFMJBT-TZMCWYRMSA-N 3 2 282.432 0.254 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@]3(C)CC[NH2+]C3)C2)CC1 ZINC000645978243 390557274 /nfs/dbraw/zinc/55/72/74/390557274.db2.gz ZDMRUMHNMZETKA-XJKSGUPXSA-N 3 2 294.443 0.271 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@]3(C)CC[NH2+]C3)C2)CC1 ZINC000645978243 390557277 /nfs/dbraw/zinc/55/72/77/390557277.db2.gz ZDMRUMHNMZETKA-XJKSGUPXSA-N 3 2 294.443 0.271 20 0 CCADLP CC1(C)C[NH2+][C@@H]1C(=O)NCCCNc1cccc[nH+]1 ZINC000645987257 390559844 /nfs/dbraw/zinc/55/98/44/390559844.db2.gz GOTNEHVONKZOMY-GFCCVEGCSA-N 2 2 262.357 0.998 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000649299611 390560178 /nfs/dbraw/zinc/56/01/78/390560178.db2.gz CBJQIRBELKJMKN-LBPRGKRZSA-N 2 2 284.363 0.884 20 0 CCADLP c1c[nH+]c(N2CC[NH+](Cc3cn4cccnc4n3)CC2)[nH]1 ZINC000520248146 390562492 /nfs/dbraw/zinc/56/24/92/390562492.db2.gz QQMBZYUOUUFIBZ-UHFFFAOYSA-N 2 2 283.339 0.775 20 0 CCADLP CC(=O)NCCC[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000565958948 390562589 /nfs/dbraw/zinc/56/25/89/390562589.db2.gz HFCQOOHALQZPFJ-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP CC(=O)NCCC[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000565958948 390562594 /nfs/dbraw/zinc/56/25/94/390562594.db2.gz HFCQOOHALQZPFJ-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP O=C(NCC[NH+]1Cc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000649306283 390567003 /nfs/dbraw/zinc/56/70/03/390567003.db2.gz KEGIZRZPZMEWQO-AWEZNQCLSA-N 2 2 259.353 0.870 20 0 CCADLP C[C@H](CC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)n1cc[nH+]c1 ZINC000520415007 390574906 /nfs/dbraw/zinc/57/49/06/390574906.db2.gz CNHZKMBKSVHVMN-UPJWGTAASA-N 2 2 262.357 0.854 20 0 CCADLP C[C@H](CC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)n1cc[nH+]c1 ZINC000520415007 390574912 /nfs/dbraw/zinc/57/49/12/390574912.db2.gz CNHZKMBKSVHVMN-UPJWGTAASA-N 2 2 262.357 0.854 20 0 CCADLP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@@H]1CSC[NH2+]1 ZINC000649319024 390576449 /nfs/dbraw/zinc/57/64/49/390576449.db2.gz AYXUWVCAFOOXSR-NSHDSACASA-N 2 2 275.337 0.868 20 0 CCADLP Cc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cn1 ZINC000566491786 390622457 /nfs/dbraw/zinc/62/24/57/390622457.db2.gz YZSXEFHBQTUUCB-OLZOCXBDSA-N 2 2 260.341 0.134 20 0 CCADLP Cc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cn1 ZINC000566491786 390622461 /nfs/dbraw/zinc/62/24/61/390622461.db2.gz YZSXEFHBQTUUCB-OLZOCXBDSA-N 2 2 260.341 0.134 20 0 CCADLP C[NH2+]CCNC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000646197066 390631081 /nfs/dbraw/zinc/63/10/81/390631081.db2.gz GYAZTBSNVPVZOO-UHFFFAOYSA-N 2 2 275.356 0.704 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC2 ZINC000646214426 390637205 /nfs/dbraw/zinc/63/72/05/390637205.db2.gz CDCMPXVIUJHTKE-ZJUUUORDSA-N 2 2 265.361 0.843 20 0 CCADLP C[C@H](CCCO)[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000566737900 390643413 /nfs/dbraw/zinc/64/34/13/390643413.db2.gz OIEPCTGZAREAIR-MQYQWHSLSA-N 2 2 274.405 0.207 20 0 CCADLP C[C@H](CCCO)[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000566737900 390643416 /nfs/dbraw/zinc/64/34/16/390643416.db2.gz OIEPCTGZAREAIR-MQYQWHSLSA-N 2 2 274.405 0.207 20 0 CCADLP C[NH2+]CCCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000566795474 390648657 /nfs/dbraw/zinc/64/86/57/390648657.db2.gz MPWJSIABGIXNNI-UHFFFAOYSA-N 2 2 260.301 0.002 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000566864456 390655736 /nfs/dbraw/zinc/65/57/36/390655736.db2.gz GTSZFEIZBVHBGK-QWHCGFSZSA-N 2 2 277.372 0.939 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000566864456 390655741 /nfs/dbraw/zinc/65/57/41/390655741.db2.gz GTSZFEIZBVHBGK-QWHCGFSZSA-N 2 2 277.372 0.939 20 0 CCADLP CC[NH2+]CCNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000521041366 390592969 /nfs/dbraw/zinc/59/29/69/390592969.db2.gz FHSIWCYEOGKJJN-UHFFFAOYSA-N 2 2 263.332 0.689 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc(N)cn2)CC1 ZINC000649343535 390597943 /nfs/dbraw/zinc/59/79/43/390597943.db2.gz DSPULCQSASQLMI-UHFFFAOYSA-N 2 2 291.399 0.420 20 0 CCADLP C[NH+]1CCC2(CC1)C[N@H+](CC(=O)NCC1CCC1)CCO2 ZINC000646104782 390599198 /nfs/dbraw/zinc/59/91/98/390599198.db2.gz XXRUDGAKIRTKHE-UHFFFAOYSA-N 2 2 295.427 0.699 20 0 CCADLP C[NH+]1CCC2(CC1)C[N@@H+](CC(=O)NCC1CCC1)CCO2 ZINC000646104782 390599202 /nfs/dbraw/zinc/59/92/02/390599202.db2.gz XXRUDGAKIRTKHE-UHFFFAOYSA-N 2 2 295.427 0.699 20 0 CCADLP CCOCCO[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000566414001 390599272 /nfs/dbraw/zinc/59/92/72/390599272.db2.gz KTIJEUXWXORQJL-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP CCOCCO[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000566414001 390599274 /nfs/dbraw/zinc/59/92/74/390599274.db2.gz KTIJEUXWXORQJL-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP CCOCCO[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)CC)C1 ZINC000566414001 390599279 /nfs/dbraw/zinc/59/92/79/390599279.db2.gz KTIJEUXWXORQJL-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP CCOCCO[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000566414001 390599281 /nfs/dbraw/zinc/59/92/81/390599281.db2.gz KTIJEUXWXORQJL-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP CCc1ccccc1OCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000646835447 390726189 /nfs/dbraw/zinc/72/61/89/390726189.db2.gz FANWMGOSGQVEAE-CQSZACIVSA-N 2 2 291.395 0.729 20 0 CCADLP CCc1ccccc1OCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000646835447 390726192 /nfs/dbraw/zinc/72/61/92/390726192.db2.gz FANWMGOSGQVEAE-CQSZACIVSA-N 2 2 291.395 0.729 20 0 CCADLP CN1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C[NH3+])C1 ZINC000646835562 390726277 /nfs/dbraw/zinc/72/62/77/390726277.db2.gz HWWWVLJJVSEQLN-HNNXBMFYSA-N 2 2 299.378 0.587 20 0 CCADLP COCC[N@@H+](C)CCCNC(=O)[C@H]([NH3+])c1cscn1 ZINC000567107051 390671804 /nfs/dbraw/zinc/67/18/04/390671804.db2.gz KPZBSTQQFCVPRF-LLVKDONJSA-N 2 2 286.401 0.227 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000567167384 390676789 /nfs/dbraw/zinc/67/67/89/390676789.db2.gz RGADEKRVOPFCCV-NEPJUHHUSA-N 2 2 262.419 0.726 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000567167384 390676791 /nfs/dbraw/zinc/67/67/91/390676791.db2.gz RGADEKRVOPFCCV-NEPJUHHUSA-N 2 2 262.419 0.726 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000646440877 390682362 /nfs/dbraw/zinc/68/23/62/390682362.db2.gz LUFFCZUOLNGKED-GFCCVEGCSA-N 2 2 288.355 0.503 20 0 CCADLP CCn1cncc1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000567248407 390682952 /nfs/dbraw/zinc/68/29/52/390682952.db2.gz CRSSXRLWOMAETF-UHFFFAOYSA-N 2 2 266.389 0.839 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000567246814 390683534 /nfs/dbraw/zinc/68/35/34/390683534.db2.gz WHARXICELAJLKW-ZIAGYGMSSA-N 2 2 299.459 0.926 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000567246814 390683537 /nfs/dbraw/zinc/68/35/37/390683537.db2.gz WHARXICELAJLKW-ZIAGYGMSSA-N 2 2 299.459 0.926 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000567246814 390683539 /nfs/dbraw/zinc/68/35/39/390683539.db2.gz WHARXICELAJLKW-ZIAGYGMSSA-N 2 2 299.459 0.926 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000567246814 390683541 /nfs/dbraw/zinc/68/35/41/390683541.db2.gz WHARXICELAJLKW-ZIAGYGMSSA-N 2 2 299.459 0.926 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCSC[C@@H](C(=O)OC)C1 ZINC000567364073 390695070 /nfs/dbraw/zinc/69/50/70/390695070.db2.gz ACUYRERKNWUBHE-NWDGAFQWSA-N 2 2 290.429 0.137 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCSC[C@@H](C(=O)OC)C1 ZINC000567364073 390695071 /nfs/dbraw/zinc/69/50/71/390695071.db2.gz ACUYRERKNWUBHE-NWDGAFQWSA-N 2 2 290.429 0.137 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCSC[C@@H](C(=O)OC)C1 ZINC000567364073 390695072 /nfs/dbraw/zinc/69/50/72/390695072.db2.gz ACUYRERKNWUBHE-NWDGAFQWSA-N 2 2 290.429 0.137 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCSC[C@@H](C(=O)OC)C1 ZINC000567364073 390695073 /nfs/dbraw/zinc/69/50/73/390695073.db2.gz ACUYRERKNWUBHE-NWDGAFQWSA-N 2 2 290.429 0.137 20 0 CCADLP c1cc(C[NH2+]C[C@H]2C[NH2+]CCO2)n(-c2ccccc2)n1 ZINC000571771031 390751773 /nfs/dbraw/zinc/75/17/73/390751773.db2.gz UHDZGXYAIWCZQI-OAHLLOKOSA-N 2 2 272.352 0.950 20 0 CCADLP [NH3+]C1(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CCC1 ZINC000571915950 390759373 /nfs/dbraw/zinc/75/93/73/390759373.db2.gz NRKJPTZMYJUYDH-ZDUSSCGKSA-N 2 2 299.440 0.192 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)[C@@H](C[NH3+])C1 ZINC000572227726 390772871 /nfs/dbraw/zinc/77/28/71/390772871.db2.gz UPGKNTLJKOMACB-STQMWFEESA-N 3 2 297.447 0.049 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)[C@@H](C[NH3+])C1 ZINC000572227726 390772873 /nfs/dbraw/zinc/77/28/73/390772873.db2.gz UPGKNTLJKOMACB-STQMWFEESA-N 3 2 297.447 0.049 20 0 CCADLP C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000528756955 390775606 /nfs/dbraw/zinc/77/56/06/390775606.db2.gz PFLPERWEUMYQJB-CZXHOFHRSA-N 2 2 269.389 0.162 20 0 CCADLP O[C@H](C[NH2+]CCc1cn2ccccc2[nH+]1)Cn1cccn1 ZINC000572274533 390776283 /nfs/dbraw/zinc/77/62/83/390776283.db2.gz FXSCHLXKYORUMW-CQSZACIVSA-N 2 2 285.351 0.724 20 0 CCADLP CC(C)Cn1nccc1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000647176512 390782691 /nfs/dbraw/zinc/78/26/91/390782691.db2.gz LZHUPGCHYAPEFB-UHFFFAOYSA-N 2 2 293.415 0.403 20 0 CCADLP COc1c(N)[nH+]cnc1NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000572616860 390792686 /nfs/dbraw/zinc/79/26/86/390792686.db2.gz HYEJTWORYGJQQK-LLVKDONJSA-N 2 2 295.387 0.258 20 0 CCADLP COc1c(N)[nH+]cnc1NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000572616860 390792687 /nfs/dbraw/zinc/79/26/87/390792687.db2.gz HYEJTWORYGJQQK-LLVKDONJSA-N 2 2 295.387 0.258 20 0 CCADLP COc1c(N)nc[nH+]c1NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000572616860 390792688 /nfs/dbraw/zinc/79/26/88/390792688.db2.gz HYEJTWORYGJQQK-LLVKDONJSA-N 2 2 295.387 0.258 20 0 CCADLP COc1c(N)nc[nH+]c1NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000572616860 390792689 /nfs/dbraw/zinc/79/26/89/390792689.db2.gz HYEJTWORYGJQQK-LLVKDONJSA-N 2 2 295.387 0.258 20 0 CCADLP C[C@H](F)CC[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000572631706 390793142 /nfs/dbraw/zinc/79/31/42/390793142.db2.gz CKNVFNPLTDXRNT-WUHRBBMRSA-N 2 2 262.369 0.794 20 0 CCADLP C[C@H](F)CC[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000572631706 390793143 /nfs/dbraw/zinc/79/31/43/390793143.db2.gz CKNVFNPLTDXRNT-WUHRBBMRSA-N 2 2 262.369 0.794 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]([C@H](C)CO)C1CCCC1 ZINC000572852748 390807461 /nfs/dbraw/zinc/80/74/61/390807461.db2.gz LQFGINLHKYTZFR-HIFRSBDPSA-N 2 2 288.432 0.551 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]([C@H](C)CO)C1CCCC1 ZINC000572852748 390807465 /nfs/dbraw/zinc/80/74/65/390807465.db2.gz LQFGINLHKYTZFR-HIFRSBDPSA-N 2 2 288.432 0.551 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]([C@H](C)CO)C1CCCC1 ZINC000572852748 390807468 /nfs/dbraw/zinc/80/74/68/390807468.db2.gz LQFGINLHKYTZFR-HIFRSBDPSA-N 2 2 288.432 0.551 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]([C@H](C)CO)C1CCCC1 ZINC000572852748 390807472 /nfs/dbraw/zinc/80/74/72/390807472.db2.gz LQFGINLHKYTZFR-HIFRSBDPSA-N 2 2 288.432 0.551 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529300746 390802699 /nfs/dbraw/zinc/80/26/99/390802699.db2.gz FFPZMRHPKLCTKI-QWHCGFSZSA-N 2 2 296.415 0.291 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529300746 390802700 /nfs/dbraw/zinc/80/27/00/390802700.db2.gz FFPZMRHPKLCTKI-QWHCGFSZSA-N 2 2 296.415 0.291 20 0 CCADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000646911974 390738299 /nfs/dbraw/zinc/73/82/99/390738299.db2.gz KRDNECOLBSBNPZ-AGIUHOORSA-N 2 2 274.368 0.608 20 0 CCADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000646911974 390738301 /nfs/dbraw/zinc/73/83/01/390738301.db2.gz KRDNECOLBSBNPZ-AGIUHOORSA-N 2 2 274.368 0.608 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000571538129 390741276 /nfs/dbraw/zinc/74/12/76/390741276.db2.gz PHDKOSHDPWCNKX-NSHDSACASA-N 2 2 293.371 0.226 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@H](O)CC2(O)CCC2)C1 ZINC000528419732 390742023 /nfs/dbraw/zinc/74/20/23/390742023.db2.gz CCXAQJVSZICKGZ-QWHCGFSZSA-N 2 2 279.384 0.875 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@H](O)CC2(O)CCC2)C1 ZINC000528419732 390742024 /nfs/dbraw/zinc/74/20/24/390742024.db2.gz CCXAQJVSZICKGZ-QWHCGFSZSA-N 2 2 279.384 0.875 20 0 CCADLP C[C@H](C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21)[NH+]1CCSCC1 ZINC000646930830 390744055 /nfs/dbraw/zinc/74/40/55/390744055.db2.gz ORRZWUFGUOTZMW-JHJVBQTASA-N 2 2 283.441 0.586 20 0 CCADLP C[C@H](C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21)[NH+]1CCSCC1 ZINC000646930830 390744058 /nfs/dbraw/zinc/74/40/58/390744058.db2.gz ORRZWUFGUOTZMW-JHJVBQTASA-N 2 2 283.441 0.586 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000578079808 390863336 /nfs/dbraw/zinc/86/33/36/390863336.db2.gz DAINNEHZGLUBSP-ZIAGYGMSSA-N 3 2 257.422 0.715 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000578079808 390863337 /nfs/dbraw/zinc/86/33/37/390863337.db2.gz DAINNEHZGLUBSP-ZIAGYGMSSA-N 3 2 257.422 0.715 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000578079808 390863340 /nfs/dbraw/zinc/86/33/40/390863340.db2.gz DAINNEHZGLUBSP-ZIAGYGMSSA-N 3 2 257.422 0.715 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000578079808 390863342 /nfs/dbraw/zinc/86/33/42/390863342.db2.gz DAINNEHZGLUBSP-ZIAGYGMSSA-N 3 2 257.422 0.715 20 0 CCADLP CC[NH2+]CCCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000572976985 390816042 /nfs/dbraw/zinc/81/60/42/390816042.db2.gz USOAQBUSPQALCF-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@H+]1CCN(C(=O)Cn2c[nH+]cc2C)[C@H](C)C1 ZINC000529362160 390818742 /nfs/dbraw/zinc/81/87/42/390818742.db2.gz OWFDBMANSSBWMY-GFCCVEGCSA-N 2 2 250.346 0.744 20 0 CCADLP COC(=O)COC[C@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000575130434 390833013 /nfs/dbraw/zinc/83/30/13/390833013.db2.gz CNWVFBXOYNRTKR-NEPJUHHUSA-N 2 2 258.362 0.496 20 0 CCADLP COC(=O)COC[C@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000575130434 390833018 /nfs/dbraw/zinc/83/30/18/390833018.db2.gz CNWVFBXOYNRTKR-NEPJUHHUSA-N 2 2 258.362 0.496 20 0 CCADLP CC(C)OCC[C@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000647530172 390834527 /nfs/dbraw/zinc/83/45/27/390834527.db2.gz XYZDOAUKXVSNBE-GJZGRUSLSA-N 2 2 288.432 0.599 20 0 CCADLP CC(C)OCC[C@H](O)C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000647530172 390834529 /nfs/dbraw/zinc/83/45/29/390834529.db2.gz XYZDOAUKXVSNBE-GJZGRUSLSA-N 2 2 288.432 0.599 20 0 CCADLP C[N@@H+]1CCN(Cc2cn3cccc(F)c3n2)[C@H](C[NH3+])C1 ZINC000647539517 390837467 /nfs/dbraw/zinc/83/74/67/390837467.db2.gz KJLFVFQOHODXGL-GFCCVEGCSA-N 2 2 277.347 0.548 20 0 CCADLP C[N@H+]1CCN(Cc2cn3cccc(F)c3n2)[C@H](C[NH3+])C1 ZINC000647539517 390837469 /nfs/dbraw/zinc/83/74/69/390837469.db2.gz KJLFVFQOHODXGL-GFCCVEGCSA-N 2 2 277.347 0.548 20 0 CCADLP C[N@@H+]1CCN(Cc2nc3c(s2)CCC3)[C@H](C[NH3+])C1 ZINC000647539499 390837642 /nfs/dbraw/zinc/83/76/42/390837642.db2.gz ISIVMTNAIFEFGC-SNVBAGLBSA-N 2 2 266.414 0.707 20 0 CCADLP C[N@H+]1CCN(Cc2nc3c(s2)CCC3)[C@H](C[NH3+])C1 ZINC000647539499 390837644 /nfs/dbraw/zinc/83/76/44/390837644.db2.gz ISIVMTNAIFEFGC-SNVBAGLBSA-N 2 2 266.414 0.707 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)C1 ZINC000647550839 390839786 /nfs/dbraw/zinc/83/97/86/390839786.db2.gz KUFXJEMYLSDUDT-GOEBONIOSA-N 3 2 282.476 0.848 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)C1 ZINC000647550839 390839789 /nfs/dbraw/zinc/83/97/89/390839789.db2.gz KUFXJEMYLSDUDT-GOEBONIOSA-N 3 2 282.476 0.848 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@@H]2C[C@H]3CCCCN3C2=O)C1 ZINC000647551878 390840652 /nfs/dbraw/zinc/84/06/52/390840652.db2.gz UJWCUEHKHIZWED-UMSGYPCISA-N 2 2 251.374 0.727 20 0 CCADLP CCOCC[C@@H](O)C[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000578626883 390895214 /nfs/dbraw/zinc/89/52/14/390895214.db2.gz ARAPVCKQPZKTPD-ZIAGYGMSSA-N 2 2 274.405 0.210 20 0 CCADLP CCOCC[C@@H](O)C[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000578626883 390895215 /nfs/dbraw/zinc/89/52/15/390895215.db2.gz ARAPVCKQPZKTPD-ZIAGYGMSSA-N 2 2 274.405 0.210 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)CCn1cc[nH+]c1 ZINC000578809773 390903190 /nfs/dbraw/zinc/90/31/90/390903190.db2.gz GMFHSBRBTPOPQA-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)CCn1cc[nH+]c1 ZINC000578809773 390903192 /nfs/dbraw/zinc/90/31/92/390903192.db2.gz GMFHSBRBTPOPQA-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP NC(=O)NC(=O)CC[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000578880105 390905897 /nfs/dbraw/zinc/90/58/97/390905897.db2.gz ACHSQQDTPUSLIY-UHFFFAOYSA-N 2 2 289.339 0.670 20 0 CCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000423784766 533598391 /nfs/dbraw/zinc/59/83/91/533598391.db2.gz MURBFVZKUOJWSW-CHWSQXEVSA-N 2 2 297.399 0.224 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000333844557 533664903 /nfs/dbraw/zinc/66/49/03/533664903.db2.gz VWGPPHHNGHOHMB-STQMWFEESA-N 2 2 296.415 0.148 20 0 CCADLP Cn1c[nH+]cc1C[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000353668425 130024038 /nfs/dbraw/zinc/02/40/38/130024038.db2.gz FXYKHUPIPVFIMG-UHFFFAOYSA-N 3 2 293.415 0.502 20 0 CCADLP COCCc1noc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)n1 ZINC000342092677 130253928 /nfs/dbraw/zinc/25/39/28/130253928.db2.gz VSWYQCVCUAHUMX-SRVKXCTJSA-N 2 2 280.372 0.818 20 0 CCADLP COCCc1noc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)n1 ZINC000342092677 130253932 /nfs/dbraw/zinc/25/39/32/130253932.db2.gz VSWYQCVCUAHUMX-SRVKXCTJSA-N 2 2 280.372 0.818 20 0 CCADLP O=C(C1C[NH2+]C1)N1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000342135182 130293810 /nfs/dbraw/zinc/29/38/10/130293810.db2.gz GWAXVIJLWSTQAB-LLVKDONJSA-N 2 2 260.341 0.561 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCN1CC[C@H]2OCC[NH+](C)[C@H]2C1 ZINC000342169328 130358786 /nfs/dbraw/zinc/35/87/86/130358786.db2.gz KTCNRXIYBYZKSC-QLFBSQMISA-N 2 2 283.416 0.112 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCN1CC[C@H]2OCC[NH+](C)[C@H]2C1 ZINC000342169328 130358790 /nfs/dbraw/zinc/35/87/90/130358790.db2.gz KTCNRXIYBYZKSC-QLFBSQMISA-N 2 2 283.416 0.112 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000342169328 130358791 /nfs/dbraw/zinc/35/87/91/130358791.db2.gz KTCNRXIYBYZKSC-QLFBSQMISA-N 2 2 283.416 0.112 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000342169328 130358792 /nfs/dbraw/zinc/35/87/92/130358792.db2.gz KTCNRXIYBYZKSC-QLFBSQMISA-N 2 2 283.416 0.112 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2C[C@H](O)C23CCC3)n1C ZINC000657707909 413052281 /nfs/dbraw/zinc/05/22/81/413052281.db2.gz JFXRJXDKFBNHTQ-RYUDHWBXSA-N 2 2 264.373 0.879 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2COC3(CCC3)C2)CC1 ZINC000657857866 413068201 /nfs/dbraw/zinc/06/82/01/413068201.db2.gz WZFOOZBRCRACHG-GFCCVEGCSA-N 2 2 267.373 0.062 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCCn2nccc21 ZINC000657881196 413071001 /nfs/dbraw/zinc/07/10/01/413071001.db2.gz RMUDLVNVWYKNKM-CHWSQXEVSA-N 2 2 263.389 0.553 20 0 CCADLP C[C@H](Cn1cncn1)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000658026842 413090735 /nfs/dbraw/zinc/09/07/35/413090735.db2.gz XQKWNWPOYYVGFH-OLZOCXBDSA-N 2 2 267.377 0.103 20 0 CCADLP C[C@H](Cn1cncn1)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000658026842 413090739 /nfs/dbraw/zinc/09/07/39/413090739.db2.gz XQKWNWPOYYVGFH-OLZOCXBDSA-N 2 2 267.377 0.103 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000658148478 413105595 /nfs/dbraw/zinc/10/55/95/413105595.db2.gz NATBMSFAFZSRAU-SNPRPXQTSA-N 2 2 284.400 0.227 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000658148478 413105600 /nfs/dbraw/zinc/10/56/00/413105600.db2.gz NATBMSFAFZSRAU-SNPRPXQTSA-N 2 2 284.400 0.227 20 0 CCADLP O=C([C@H]1CCCC[NH2+]1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000037799509 397385649 /nfs/dbraw/zinc/38/56/49/397385649.db2.gz GRRRYKSGKTVCSY-UONOGXRCSA-N 2 2 281.400 0.452 20 0 CCADLP C(C[NH+]1CCOCC1)C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000135569221 397415238 /nfs/dbraw/zinc/41/52/38/397415238.db2.gz JWFBZWSXTWZNEI-ZIAGYGMSSA-N 2 2 286.441 0.915 20 0 CCADLP C(C[NH+]1CCOCC1)C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000135569221 397415244 /nfs/dbraw/zinc/41/52/44/397415244.db2.gz JWFBZWSXTWZNEI-ZIAGYGMSSA-N 2 2 286.441 0.915 20 0 CCADLP NC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357078028 144057904 /nfs/dbraw/zinc/05/79/04/144057904.db2.gz KCIZXCZPLMOEQD-MCIONIFRSA-N 2 2 259.353 0.754 20 0 CCADLP NC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357078028 144057906 /nfs/dbraw/zinc/05/79/06/144057906.db2.gz KCIZXCZPLMOEQD-MCIONIFRSA-N 2 2 259.353 0.754 20 0 CCADLP COCC[NH2+]CC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000357116495 144061797 /nfs/dbraw/zinc/06/17/97/144061797.db2.gz GXSBXMBCGCXIGZ-UHFFFAOYSA-N 2 2 276.340 0.495 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]3COCC[C@H]32)CC1 ZINC000357311777 144081404 /nfs/dbraw/zinc/08/14/04/144081404.db2.gz WREZICFZCIDOGZ-UONOGXRCSA-N 2 2 281.400 0.261 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]3COCC[C@H]32)CC1 ZINC000357311777 144081406 /nfs/dbraw/zinc/08/14/06/144081406.db2.gz WREZICFZCIDOGZ-UONOGXRCSA-N 2 2 281.400 0.261 20 0 CCADLP Cc1csc(=O)n1CC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357650368 144109175 /nfs/dbraw/zinc/10/91/75/144109175.db2.gz RAENHGMPQVQFGH-UHFFFAOYSA-N 2 2 299.440 0.607 20 0 CCADLP Cc1csc(=O)n1CC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357650368 144109176 /nfs/dbraw/zinc/10/91/76/144109176.db2.gz RAENHGMPQVQFGH-UHFFFAOYSA-N 2 2 299.440 0.607 20 0 CCADLP CC(C)COC[C@H](O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357722178 144116672 /nfs/dbraw/zinc/11/66/72/144116672.db2.gz PQEUZCZHVKSREC-OAHLLOKOSA-N 2 2 288.432 0.408 20 0 CCADLP CC(C)COC[C@H](O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357722178 144116673 /nfs/dbraw/zinc/11/66/73/144116673.db2.gz PQEUZCZHVKSREC-OAHLLOKOSA-N 2 2 288.432 0.408 20 0 CCADLP CC[N@H+](CCNC(=O)NCc1c[nH+]cn1C)C(C)C ZINC000357730612 144117056 /nfs/dbraw/zinc/11/70/56/144117056.db2.gz LDOVUXDBJYEKBF-UHFFFAOYSA-N 2 2 267.377 0.950 20 0 CCADLP CC[N@@H+](CCNC(=O)NCc1c[nH+]cn1C)C(C)C ZINC000357730612 144117057 /nfs/dbraw/zinc/11/70/57/144117057.db2.gz LDOVUXDBJYEKBF-UHFFFAOYSA-N 2 2 267.377 0.950 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000357806715 144122682 /nfs/dbraw/zinc/12/26/82/144122682.db2.gz MADHPWNYGFRTSX-JSGCOSHPSA-N 2 2 269.389 0.356 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000357806715 144122683 /nfs/dbraw/zinc/12/26/83/144122683.db2.gz MADHPWNYGFRTSX-JSGCOSHPSA-N 2 2 269.389 0.356 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000357806712 144122791 /nfs/dbraw/zinc/12/27/91/144122791.db2.gz MADHPWNYGFRTSX-GXTWGEPZSA-N 2 2 269.389 0.356 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000357806712 144122793 /nfs/dbraw/zinc/12/27/93/144122793.db2.gz MADHPWNYGFRTSX-GXTWGEPZSA-N 2 2 269.389 0.356 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000358537354 144159857 /nfs/dbraw/zinc/15/98/57/144159857.db2.gz ZVAVPLLGZWBGLS-NWDGAFQWSA-N 2 2 279.388 0.869 20 0 CCADLP C[C@@H]1C[C@H](C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC[NH2+]1 ZINC000358698672 144173323 /nfs/dbraw/zinc/17/33/23/144173323.db2.gz VBUQSPQXTWBZEI-JHJVBQTASA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1C[C@H](C(=O)NCC[N@H+]2CCOC[C@H]2C)CC[NH2+]1 ZINC000358698672 144173324 /nfs/dbraw/zinc/17/33/24/144173324.db2.gz VBUQSPQXTWBZEI-JHJVBQTASA-N 2 2 269.389 0.211 20 0 CCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000368448618 144225106 /nfs/dbraw/zinc/22/51/06/144225106.db2.gz CLLMFAYGMBBWNB-OAHLLOKOSA-N 2 2 295.427 0.650 20 0 CCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000368448618 144225107 /nfs/dbraw/zinc/22/51/07/144225107.db2.gz CLLMFAYGMBBWNB-OAHLLOKOSA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3(C)COC3)CC2)CC1 ZINC000369988793 144286048 /nfs/dbraw/zinc/28/60/48/144286048.db2.gz WRZKPBBNWDTMHH-UHFFFAOYSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCC3(CCOCC3)C2)CC1 ZINC000371391096 144330032 /nfs/dbraw/zinc/33/00/32/144330032.db2.gz ABTCDZDGWGVPJX-UHFFFAOYSA-N 2 2 295.427 0.653 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCC3(CCOCC3)C2)CC1 ZINC000371391096 144330034 /nfs/dbraw/zinc/33/00/34/144330034.db2.gz ABTCDZDGWGVPJX-UHFFFAOYSA-N 2 2 295.427 0.653 20 0 CCADLP CCONC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371725876 144342251 /nfs/dbraw/zinc/34/22/51/144342251.db2.gz ZKHUVFCMOSSJDT-LLVKDONJSA-N 2 2 270.377 0.406 20 0 CCADLP CCONC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371725876 144342252 /nfs/dbraw/zinc/34/22/52/144342252.db2.gz ZKHUVFCMOSSJDT-LLVKDONJSA-N 2 2 270.377 0.406 20 0 CCADLP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000372324028 144361664 /nfs/dbraw/zinc/36/16/64/144361664.db2.gz FKKGXYMXLCDKDP-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000372324028 144361665 /nfs/dbraw/zinc/36/16/65/144361665.db2.gz FKKGXYMXLCDKDP-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)NC[C@@H]2CCCO2)CC1 ZINC000372992537 144388673 /nfs/dbraw/zinc/38/86/73/144388673.db2.gz XUFZASFABIWBLA-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H]2CCCO2)CC1 ZINC000372992537 144388675 /nfs/dbraw/zinc/38/86/75/144388675.db2.gz XUFZASFABIWBLA-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP CC[N@H+](C[C@H](O)C[NH+](C)CCOC)C[C@@H]1CCCO1 ZINC000388823677 397507259 /nfs/dbraw/zinc/50/72/59/397507259.db2.gz WMTCORJXQZJMII-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C[C@@H]1CCCO1 ZINC000388823677 397507263 /nfs/dbraw/zinc/50/72/63/397507263.db2.gz WMTCORJXQZJMII-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP CC[NH+](C[C@H](O)C[N@H+](C)CCOC)C[C@@H]1CCCO1 ZINC000388823677 397507268 /nfs/dbraw/zinc/50/72/68/397507268.db2.gz WMTCORJXQZJMII-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C[C@@H]1CCCO1 ZINC000388823677 397507273 /nfs/dbraw/zinc/50/72/73/397507273.db2.gz WMTCORJXQZJMII-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP COc1ncccc1C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000389071892 397509040 /nfs/dbraw/zinc/50/90/40/397509040.db2.gz WZCAINONPDRZGB-CYBMUJFWSA-N 2 2 265.357 0.635 20 0 CCADLP COc1ncccc1C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000389071892 397509044 /nfs/dbraw/zinc/50/90/44/397509044.db2.gz WZCAINONPDRZGB-CYBMUJFWSA-N 2 2 265.357 0.635 20 0 CCADLP C([C@@H]1CC[N@@H+](C[C@H]2CC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC000649413965 397607583 /nfs/dbraw/zinc/60/75/83/397607583.db2.gz ZNIMBLXYNXPZSO-KBPBESRZSA-N 3 2 253.390 0.250 20 0 CCADLP C([C@@H]1CC[N@H+](C[C@H]2CC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC000649413965 397607585 /nfs/dbraw/zinc/60/75/85/397607585.db2.gz ZNIMBLXYNXPZSO-KBPBESRZSA-N 3 2 253.390 0.250 20 0 CCADLP CC[C@H]1C[N@H+](CC(=O)NC2CC[NH+](CC)CC2)CC[C@H]1[NH3+] ZINC000649417131 397609333 /nfs/dbraw/zinc/60/93/33/397609333.db2.gz YTVWXLQVXXZYBE-DZGCQCFKSA-N 3 2 296.459 0.646 20 0 CCADLP CC[C@H]1C[N@@H+](CC(=O)NC2CC[NH+](CC)CC2)CC[C@H]1[NH3+] ZINC000649417131 397609334 /nfs/dbraw/zinc/60/93/34/397609334.db2.gz YTVWXLQVXXZYBE-DZGCQCFKSA-N 3 2 296.459 0.646 20 0 CCADLP CC[C@H]1C[N@H+](Cc2csc(CC(=O)NC)n2)CC[C@H]1[NH3+] ZINC000649417164 397609477 /nfs/dbraw/zinc/60/94/77/397609477.db2.gz ZPLKREKLNBJDPC-CMPLNLGQSA-N 2 2 296.440 0.991 20 0 CCADLP CC[C@H]1C[N@@H+](Cc2csc(CC(=O)NC)n2)CC[C@H]1[NH3+] ZINC000649417164 397609479 /nfs/dbraw/zinc/60/94/79/397609479.db2.gz ZPLKREKLNBJDPC-CMPLNLGQSA-N 2 2 296.440 0.991 20 0 CCADLP CC[C@H]1C[N@H+](CC(=O)Nc2ccncc2)CC[C@H]1[NH3+] ZINC000649416972 397609797 /nfs/dbraw/zinc/60/97/97/397609797.db2.gz SNRFNVORWBPJQK-WCQYABFASA-N 2 2 262.357 0.501 20 0 CCADLP CC[C@H]1C[N@@H+](CC(=O)Nc2ccncc2)CC[C@H]1[NH3+] ZINC000649416972 397609799 /nfs/dbraw/zinc/60/97/99/397609799.db2.gz SNRFNVORWBPJQK-WCQYABFASA-N 2 2 262.357 0.501 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)N(C)Cc1cnn(C)c1 ZINC000649420202 397610233 /nfs/dbraw/zinc/61/02/33/397610233.db2.gz LVYSQUHVYUEFPP-LALPHHSUSA-N 2 2 293.415 0.355 20 0 CCADLP O=C(NCCC1CC[NH2+]CC1)NCC[NH+]1CCOCC1 ZINC000649481855 397619423 /nfs/dbraw/zinc/61/94/23/397619423.db2.gz UPIFMYFJJMOXKW-UHFFFAOYSA-N 2 2 284.404 0.008 20 0 CCADLP CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC000649587381 397640449 /nfs/dbraw/zinc/64/04/49/397640449.db2.gz IHKOOSQNFALKGI-BNOWGMLFSA-N 2 2 253.390 0.927 20 0 CCADLP CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC000649587381 397640450 /nfs/dbraw/zinc/64/04/50/397640450.db2.gz IHKOOSQNFALKGI-BNOWGMLFSA-N 2 2 253.390 0.927 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC(C)(C)C[NH+](C)C ZINC000547540156 285955201 /nfs/dbraw/zinc/95/52/01/285955201.db2.gz OYULBJLLZXKAHT-UHFFFAOYSA-N 2 2 252.362 0.667 20 0 CCADLP CC(C)[C@H](C(=O)NCCc1c[nH+]cn1C)[NH+](C)C ZINC000548132841 286009129 /nfs/dbraw/zinc/00/91/29/286009129.db2.gz PFRNCAYAGLQTMG-GFCCVEGCSA-N 2 2 252.362 0.665 20 0 CCADLP CO[C@H]1CC[N@H+](CCC(=O)NC2CCCC2)[C@@H](C[NH3+])C1 ZINC000359038690 286058647 /nfs/dbraw/zinc/05/86/47/286058647.db2.gz GGKCUKAMRNPTOW-KGLIPLIRSA-N 2 2 283.416 0.873 20 0 CCADLP CO[C@H]1CC[N@@H+](CCC(=O)NC2CCCC2)[C@@H](C[NH3+])C1 ZINC000359038690 286058649 /nfs/dbraw/zinc/05/86/49/286058649.db2.gz GGKCUKAMRNPTOW-KGLIPLIRSA-N 2 2 283.416 0.873 20 0 CCADLP CCOCC[N@H+](C)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000495914090 286075823 /nfs/dbraw/zinc/07/58/23/286075823.db2.gz RVHPRJXYTVHUCG-OAHLLOKOSA-N 2 2 297.399 0.829 20 0 CCADLP CCOCC[N@@H+](C)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000495914090 286075824 /nfs/dbraw/zinc/07/58/24/286075824.db2.gz RVHPRJXYTVHUCG-OAHLLOKOSA-N 2 2 297.399 0.829 20 0 CCADLP Cc1[nH+]c2ccccc2n1CC[NH2+]CCC(=O)NC(N)=O ZINC000548901801 286078108 /nfs/dbraw/zinc/07/81/08/286078108.db2.gz DKLUYRMZBULEDC-UHFFFAOYSA-N 2 2 289.339 0.519 20 0 CCADLP CO[C@]1(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)CCOC1 ZINC000359419618 286174876 /nfs/dbraw/zinc/17/48/76/286174876.db2.gz KRXMBFIIDGXKJS-XBFCOCLRSA-N 2 2 254.374 0.864 20 0 CCADLP CO[C@]1(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)CCOC1 ZINC000359419618 286174877 /nfs/dbraw/zinc/17/48/77/286174877.db2.gz KRXMBFIIDGXKJS-XBFCOCLRSA-N 2 2 254.374 0.864 20 0 CCADLP CC(C)(C)[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000553146249 286181783 /nfs/dbraw/zinc/18/17/83/286181783.db2.gz GXNCHGXRJUHBMW-LLVKDONJSA-N 2 2 264.373 0.950 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(N)[nH+]c2)C1 ZINC000659102750 413281905 /nfs/dbraw/zinc/28/19/05/413281905.db2.gz HNQTXNDFVTWFDR-LLVKDONJSA-N 2 2 291.355 0.203 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(N)[nH+]c2)C1 ZINC000659102750 413281916 /nfs/dbraw/zinc/28/19/16/413281916.db2.gz HNQTXNDFVTWFDR-LLVKDONJSA-N 2 2 291.355 0.203 20 0 CCADLP CC(C)[NH2+]CC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000659287957 413380583 /nfs/dbraw/zinc/38/05/83/413380583.db2.gz XRYPYMQSCJOYSF-UHFFFAOYSA-N 2 2 295.387 0.152 20 0 CCADLP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000122648744 411708799 /nfs/dbraw/zinc/70/87/99/411708799.db2.gz PMUIMDJHVTWQTN-RXGFPQBGSA-N 2 2 269.389 0.147 20 0 CCADLP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000122648744 411708806 /nfs/dbraw/zinc/70/88/06/411708806.db2.gz PMUIMDJHVTWQTN-RXGFPQBGSA-N 2 2 269.389 0.147 20 0 CCADLP C[N@@H+]1CCN(Cc2ccc3c(c2)OCCO3)[C@H](C[NH3+])C1 ZINC000124275336 411713506 /nfs/dbraw/zinc/71/35/06/411713506.db2.gz VBJVPWIGBLKUKF-CYBMUJFWSA-N 2 2 277.368 0.533 20 0 CCADLP C[N@H+]1CCN(Cc2ccc3c(c2)OCCO3)[C@H](C[NH3+])C1 ZINC000124275336 411713507 /nfs/dbraw/zinc/71/35/07/411713507.db2.gz VBJVPWIGBLKUKF-CYBMUJFWSA-N 2 2 277.368 0.533 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000049235198 411670247 /nfs/dbraw/zinc/67/02/47/411670247.db2.gz YRZAHBOGLJXMNV-STQMWFEESA-N 3 2 252.362 0.318 20 0 CCADLP [NH3+][C@H](C(=O)NCCCCn1cc[nH+]c1)C1CCC1 ZINC000399191111 411774625 /nfs/dbraw/zinc/77/46/25/411774625.db2.gz PTUYOHXCEMRCPM-LBPRGKRZSA-N 2 2 250.346 0.907 20 0 CCADLP CC(C)(CNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)[NH+]1CCOCC1 ZINC000407307302 411806203 /nfs/dbraw/zinc/80/62/03/411806203.db2.gz MIVUIETVFRWXLU-KBPBESRZSA-N 2 2 295.427 0.744 20 0 CCADLP Cc1cccn2c(CN3CC([N@@H+]4CC[C@@H](O)C4)C3)c[nH+]c12 ZINC000651978164 411971985 /nfs/dbraw/zinc/97/19/85/411971985.db2.gz VZMFHSBLABLLCT-OAHLLOKOSA-N 2 2 286.379 0.894 20 0 CCADLP Cc1cccn2c(CN3CC([N@H+]4CC[C@@H](O)C4)C3)c[nH+]c12 ZINC000651978164 411971990 /nfs/dbraw/zinc/97/19/90/411971990.db2.gz VZMFHSBLABLLCT-OAHLLOKOSA-N 2 2 286.379 0.894 20 0 CCADLP CCN1C[C@H](C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1=O ZINC000652015130 411977195 /nfs/dbraw/zinc/97/71/95/411977195.db2.gz VETRJBCSOVORAO-MBNYWOFBSA-N 2 2 265.401 0.927 20 0 CCADLP CCN1C[C@H](C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1=O ZINC000652015130 411977198 /nfs/dbraw/zinc/97/71/98/411977198.db2.gz VETRJBCSOVORAO-MBNYWOFBSA-N 2 2 265.401 0.927 20 0 CCADLP C[C@H]([C@H](C)NC(=O)NCCC1(C[NH3+])CC1)[NH+]1CCOCC1 ZINC000652147387 411993139 /nfs/dbraw/zinc/99/31/39/411993139.db2.gz RXSGWTOLKHPTAL-QWHCGFSZSA-N 2 2 298.431 0.524 20 0 CCADLP C[N@H+]1C[C@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@H]2C1 ZINC000651918260 411960086 /nfs/dbraw/zinc/96/00/86/411960086.db2.gz PTXLAOUGEXCBIQ-BETUJISGSA-N 2 2 288.395 0.782 20 0 CCADLP C[N@@H+]1C[C@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@H]2C1 ZINC000651918260 411960091 /nfs/dbraw/zinc/96/00/91/411960091.db2.gz PTXLAOUGEXCBIQ-BETUJISGSA-N 2 2 288.395 0.782 20 0 CCADLP C[C@H](COCC1CC1)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000652306672 412025180 /nfs/dbraw/zinc/02/51/80/412025180.db2.gz ZQUJOMAXZOQEOK-DGCLKSJQSA-N 2 2 284.404 0.086 20 0 CCADLP C[C@H](COCC1CC1)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000652306672 412025185 /nfs/dbraw/zinc/02/51/85/412025185.db2.gz ZQUJOMAXZOQEOK-DGCLKSJQSA-N 2 2 284.404 0.086 20 0 CCADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+])C(=O)N(C)C ZINC000652355413 412035421 /nfs/dbraw/zinc/03/54/21/412035421.db2.gz XPYAFECXHHIRLM-AGIUHOORSA-N 2 2 298.431 0.029 20 0 CCADLP C[C@H](NC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+])C(=O)N(C)C ZINC000652355413 412035424 /nfs/dbraw/zinc/03/54/24/412035424.db2.gz XPYAFECXHHIRLM-AGIUHOORSA-N 2 2 298.431 0.029 20 0 CCADLP C[C@@H]1CCC[N@H+](Cc2nc(=O)n(C)[nH]2)[C@H]1CC[NH3+] ZINC000652356159 412035639 /nfs/dbraw/zinc/03/56/39/412035639.db2.gz USGZKQPZWNAFAG-ZJUUUORDSA-N 2 2 253.350 0.058 20 0 CCADLP C[C@@H]1CCC[N@@H+](Cc2nc(=O)n(C)[nH]2)[C@H]1CC[NH3+] ZINC000652356159 412035642 /nfs/dbraw/zinc/03/56/42/412035642.db2.gz USGZKQPZWNAFAG-ZJUUUORDSA-N 2 2 253.350 0.058 20 0 CCADLP CCO[C@@H]1C[N@H+](Cc2cc3n(n2)CCC3)C[C@H]1C[NH3+] ZINC000652356143 412036200 /nfs/dbraw/zinc/03/62/00/412036200.db2.gz UDSBFAZJZJKUML-BXUZGUMPSA-N 2 2 264.373 0.625 20 0 CCADLP CCO[C@@H]1C[N@@H+](Cc2cc3n(n2)CCC3)C[C@H]1C[NH3+] ZINC000652356143 412036203 /nfs/dbraw/zinc/03/62/03/412036203.db2.gz UDSBFAZJZJKUML-BXUZGUMPSA-N 2 2 264.373 0.625 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@@H]21 ZINC000652399988 412048779 /nfs/dbraw/zinc/04/87/79/412048779.db2.gz QOPPYWOEOSAUMJ-OCCSQVGLSA-N 2 2 288.395 0.924 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@@H]21 ZINC000652399988 412048783 /nfs/dbraw/zinc/04/87/83/412048783.db2.gz QOPPYWOEOSAUMJ-OCCSQVGLSA-N 2 2 288.395 0.924 20 0 CCADLP C[C@H](NC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000652464022 412057246 /nfs/dbraw/zinc/05/72/46/412057246.db2.gz GTVUFHDVCLVUES-CRWXNKLISA-N 2 2 298.431 0.440 20 0 CCADLP C[C@H](NC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000652464022 412057248 /nfs/dbraw/zinc/05/72/48/412057248.db2.gz GTVUFHDVCLVUES-CRWXNKLISA-N 2 2 298.431 0.440 20 0 CCADLP C[C@H](NC(=O)N1C[C@@H](C)[NH+](C)[C@@H](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000652464022 412057252 /nfs/dbraw/zinc/05/72/52/412057252.db2.gz GTVUFHDVCLVUES-CRWXNKLISA-N 2 2 298.431 0.440 20 0 CCADLP C[C@H](NC(=O)N1C[C@@H](C)[NH+](C)[C@@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000652464022 412057255 /nfs/dbraw/zinc/05/72/55/412057255.db2.gz GTVUFHDVCLVUES-CRWXNKLISA-N 2 2 298.431 0.440 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCC(=O)Nc1ccccc1 ZINC000653090702 412214348 /nfs/dbraw/zinc/21/43/48/412214348.db2.gz YFKUGHOFAHNDEU-ZDUSSCGKSA-N 2 2 292.383 0.410 20 0 CCADLP [NH3+][C@@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000653042814 412198796 /nfs/dbraw/zinc/19/87/96/412198796.db2.gz FSTKGOLHHIVEAP-LLVKDONJSA-N 2 2 262.357 0.712 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC[NH2+]C1CCCCCC1 ZINC000653053467 412202187 /nfs/dbraw/zinc/20/21/87/412202187.db2.gz LUKODAVKOKFRRL-AWEZNQCLSA-N 3 2 284.448 0.694 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@]1(C)CCCC[C@@H]1O ZINC000653095306 412215366 /nfs/dbraw/zinc/21/53/66/412215366.db2.gz FWCISUXJGDZHIG-OBJOEFQTSA-N 2 2 271.405 0.323 20 0 CCADLP Cc1cccc(OCCNC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000653060548 412205744 /nfs/dbraw/zinc/20/57/44/412205744.db2.gz HLENFYGPABJZFC-CQSZACIVSA-N 2 2 279.384 0.769 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H]1CCc2ccccc2C1 ZINC000653060424 412205836 /nfs/dbraw/zinc/20/58/36/412205836.db2.gz CRLNHTXEXXYIJM-LSDHHAIUSA-N 2 2 275.396 0.939 20 0 CCADLP CN(Cc1ccc2c(c1)OCO2)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653060884 412205988 /nfs/dbraw/zinc/20/59/88/412205988.db2.gz WKQPQBVYZMQJPM-GFCCVEGCSA-N 2 2 293.367 0.653 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000653063978 412207168 /nfs/dbraw/zinc/20/71/68/412207168.db2.gz AFELUURKXBWJCL-HUUCEWRRSA-N 2 2 291.395 0.866 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1cc(F)ccc1F ZINC000653065637 412207640 /nfs/dbraw/zinc/20/76/40/412207640.db2.gz MXERODWWQSSJHM-GFCCVEGCSA-N 2 2 271.311 0.860 20 0 CCADLP CCO[C@H]1CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653072159 412208665 /nfs/dbraw/zinc/20/86/65/412208665.db2.gz GMKDXJPROPNSKD-NWDGAFQWSA-N 2 2 257.378 0.293 20 0 CCADLP CC(C)n1cc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cn1 ZINC000653085202 412213010 /nfs/dbraw/zinc/21/30/10/412213010.db2.gz FWNHOVIWIBYNTM-NSHDSACASA-N 2 2 253.350 0.682 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCc1cc(F)ccc1F ZINC000653089756 412214073 /nfs/dbraw/zinc/21/40/73/412214073.db2.gz SPBITXACMWBHRV-ZDUSSCGKSA-N 2 2 285.338 0.903 20 0 CCADLP CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@@H]1CCCOC1 ZINC000653249099 412267523 /nfs/dbraw/zinc/26/75/23/412267523.db2.gz OOSYDLVTPZQLMF-VXGBXAGGSA-N 2 2 257.378 0.293 20 0 CCADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC1(CS(C)(=O)=O)CC1 ZINC000653299457 412285524 /nfs/dbraw/zinc/28/55/24/412285524.db2.gz UZSABTURYRUWIG-QWRGUYRKSA-N 2 2 260.403 0.623 20 0 CCADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC1(CS(C)(=O)=O)CC1 ZINC000653299457 412285527 /nfs/dbraw/zinc/28/55/27/412285527.db2.gz UZSABTURYRUWIG-QWRGUYRKSA-N 2 2 260.403 0.623 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N(CC1CC1)CC1CC1 ZINC000653092246 412215756 /nfs/dbraw/zinc/21/57/56/412215756.db2.gz WVJKXPKXLRAJOM-CYBMUJFWSA-N 2 2 253.390 0.914 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000653104567 412219820 /nfs/dbraw/zinc/21/98/20/412219820.db2.gz LNNAGZIYNAPKLZ-RVMXOQNASA-N 2 2 269.389 0.339 20 0 CCADLP CC(C)CO[C@H]1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653104586 412220012 /nfs/dbraw/zinc/22/00/12/412220012.db2.gz MBGYMDMVRDZLIF-STQMWFEESA-N 2 2 271.405 0.539 20 0 CCADLP CCOCCC1(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)CCC1 ZINC000653103881 412220131 /nfs/dbraw/zinc/22/01/31/412220131.db2.gz WEPSIUPHSVKABF-ZDUSSCGKSA-N 2 2 285.432 0.979 20 0 CCADLP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653108180 412221269 /nfs/dbraw/zinc/22/12/69/412221269.db2.gz LVCPBYXOZCKWDY-QWHCGFSZSA-N 3 2 270.421 0.208 20 0 CCADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653110083 412221455 /nfs/dbraw/zinc/22/14/55/412221455.db2.gz WYNZRFPPOZSQKH-KFWWJZLASA-N 3 2 298.475 0.750 20 0 CCADLP CC[NH+](CC)CC1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653109713 412221986 /nfs/dbraw/zinc/22/19/86/412221986.db2.gz KITSEWYJABJOIG-HNNXBMFYSA-N 3 2 298.475 0.846 20 0 CCADLP C[NH+](C)CC[C@H](N)C(=O)NCCCNc1cccc[nH+]1 ZINC000653110771 412224025 /nfs/dbraw/zinc/22/40/25/412224025.db2.gz UEKLBIGUTOFWOQ-LBPRGKRZSA-N 2 2 279.388 0.279 20 0 CCADLP CCC[N@H+](CC)CCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653122938 412232671 /nfs/dbraw/zinc/23/26/71/412232671.db2.gz ILWQFDKPFOADRN-GFCCVEGCSA-N 3 2 258.410 0.114 20 0 CCADLP CCC[N@@H+](CC)CCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653122938 412232674 /nfs/dbraw/zinc/23/26/74/412232674.db2.gz ILWQFDKPFOADRN-GFCCVEGCSA-N 3 2 258.410 0.114 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000653128926 412233768 /nfs/dbraw/zinc/23/37/68/412233768.db2.gz BKPUMZWLYNYRGK-CYBMUJFWSA-N 3 2 280.372 0.242 20 0 CCADLP C[NH2+]Cc1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653144824 412240308 /nfs/dbraw/zinc/24/03/08/412240308.db2.gz HGFAFTNYKAQVPZ-CYBMUJFWSA-N 3 2 264.373 0.624 20 0 CCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653151614 412243944 /nfs/dbraw/zinc/24/39/44/412243944.db2.gz LPQLTVRPPVIBAP-QWHCGFSZSA-N 3 2 270.421 0.064 20 0 CCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653151614 412243946 /nfs/dbraw/zinc/24/39/46/412243946.db2.gz LPQLTVRPPVIBAP-QWHCGFSZSA-N 3 2 270.421 0.064 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC[C@@H]1CCCCO1 ZINC000653151602 412244118 /nfs/dbraw/zinc/24/41/18/412244118.db2.gz LMCLKUBSIRIBBR-NWDGAFQWSA-N 2 2 257.378 0.341 20 0 CCADLP CC(C)[C@H](O)C(C)(C)CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653157750 412247379 /nfs/dbraw/zinc/24/73/79/412247379.db2.gz LCNZPTUCFXHVEW-NEPJUHHUSA-N 2 2 273.421 0.425 20 0 CCADLP Cn1c[nH+]cc1CCCN1CC[N@H+](CCO)C(C)(C)C1 ZINC000653632876 412328357 /nfs/dbraw/zinc/32/83/57/412328357.db2.gz FSRGHUFEQILBJA-UHFFFAOYSA-N 2 2 280.416 0.741 20 0 CCADLP Cn1c[nH+]cc1CCCN1CC[N@@H+](CCO)C(C)(C)C1 ZINC000653632876 412328362 /nfs/dbraw/zinc/32/83/62/412328362.db2.gz FSRGHUFEQILBJA-UHFFFAOYSA-N 2 2 280.416 0.741 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCN(CCO)C(C)(C)C1 ZINC000653632876 412328366 /nfs/dbraw/zinc/32/83/66/412328366.db2.gz FSRGHUFEQILBJA-UHFFFAOYSA-N 2 2 280.416 0.741 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCN(CCO)C(C)(C)C1 ZINC000653632876 412328370 /nfs/dbraw/zinc/32/83/70/412328370.db2.gz FSRGHUFEQILBJA-UHFFFAOYSA-N 2 2 280.416 0.741 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1C1(O)CC1 ZINC000653758003 412343939 /nfs/dbraw/zinc/34/39/39/412343939.db2.gz LPARIEIYIBXTOQ-UONOGXRCSA-N 2 2 286.416 0.305 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1C1(O)CC1 ZINC000653758003 412343941 /nfs/dbraw/zinc/34/39/41/412343941.db2.gz LPARIEIYIBXTOQ-UONOGXRCSA-N 2 2 286.416 0.305 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000653758003 412343945 /nfs/dbraw/zinc/34/39/45/412343945.db2.gz LPARIEIYIBXTOQ-UONOGXRCSA-N 2 2 286.416 0.305 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000653758003 412343947 /nfs/dbraw/zinc/34/39/47/412343947.db2.gz LPARIEIYIBXTOQ-UONOGXRCSA-N 2 2 286.416 0.305 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](OC3CCC3)C2)CC1 ZINC000653815685 412351559 /nfs/dbraw/zinc/35/15/59/412351559.db2.gz YIRVPUNDZOZOIE-OAHLLOKOSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](OC3CCC3)C2)CC1 ZINC000653815685 412351563 /nfs/dbraw/zinc/35/15/63/412351563.db2.gz YIRVPUNDZOZOIE-OAHLLOKOSA-N 2 2 295.427 0.794 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654025494 412367711 /nfs/dbraw/zinc/36/77/11/412367711.db2.gz GWSDOUHRSVEELW-NWDGAFQWSA-N 2 2 276.340 0.095 20 0 CCADLP C[C@@H](CNC(=O)NCC[NH+]1CCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654651888 412423908 /nfs/dbraw/zinc/42/39/08/412423908.db2.gz JMPDGSZXSCWAPK-MELADBBJSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H](CNC(=O)NCC[NH+]1CCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654651888 412423909 /nfs/dbraw/zinc/42/39/09/412423909.db2.gz JMPDGSZXSCWAPK-MELADBBJSA-N 2 2 298.431 0.489 20 0 CCADLP C[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000655132341 412486977 /nfs/dbraw/zinc/48/69/77/412486977.db2.gz JNPQFBKAHNORFF-MCIONIFRSA-N 2 2 296.415 0.243 20 0 CCADLP C[N@H+]1CCC[C@@H](NC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000655132341 412486983 /nfs/dbraw/zinc/48/69/83/412486983.db2.gz JNPQFBKAHNORFF-MCIONIFRSA-N 2 2 296.415 0.243 20 0 CCADLP C[NH+]1CCC[C@@H](NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000655132341 412486988 /nfs/dbraw/zinc/48/69/88/412486988.db2.gz JNPQFBKAHNORFF-MCIONIFRSA-N 2 2 296.415 0.243 20 0 CCADLP C[NH+]1CCC[C@@H](NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000655132341 412486992 /nfs/dbraw/zinc/48/69/92/412486992.db2.gz JNPQFBKAHNORFF-MCIONIFRSA-N 2 2 296.415 0.243 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000655016756 412461844 /nfs/dbraw/zinc/46/18/44/412461844.db2.gz HUVGXWKKDQDDMX-GFCCVEGCSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000655016756 412461846 /nfs/dbraw/zinc/46/18/46/412461846.db2.gz HUVGXWKKDQDDMX-GFCCVEGCSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000655016756 412461848 /nfs/dbraw/zinc/46/18/48/412461848.db2.gz HUVGXWKKDQDDMX-GFCCVEGCSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000655016756 412461851 /nfs/dbraw/zinc/46/18/51/412461851.db2.gz HUVGXWKKDQDDMX-GFCCVEGCSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000655070960 412473502 /nfs/dbraw/zinc/47/35/02/412473502.db2.gz POGKZWLLTXSKSW-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000655070960 412473505 /nfs/dbraw/zinc/47/35/05/412473505.db2.gz POGKZWLLTXSKSW-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659449966 413510553 /nfs/dbraw/zinc/51/05/53/413510553.db2.gz VPBGGTTYVKDKRQ-UHFFFAOYSA-N 2 2 296.415 0.230 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659449966 413510559 /nfs/dbraw/zinc/51/05/59/413510559.db2.gz VPBGGTTYVKDKRQ-UHFFFAOYSA-N 2 2 296.415 0.230 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000659493648 413546848 /nfs/dbraw/zinc/54/68/48/413546848.db2.gz JKIGRABTCZQXJT-RKDXNWHRSA-N 2 2 251.334 0.174 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000659493648 413546857 /nfs/dbraw/zinc/54/68/57/413546857.db2.gz JKIGRABTCZQXJT-RKDXNWHRSA-N 2 2 251.334 0.174 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000659502053 413555751 /nfs/dbraw/zinc/55/57/51/413555751.db2.gz SPPWULDXXJHBPV-AEJSXWLSSA-N 2 2 251.334 0.796 20 0 CCADLP CC[NH2+]CCCNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000659505531 413564937 /nfs/dbraw/zinc/56/49/37/413564937.db2.gz PLSKFWTVOUHFQG-JTQLQIEISA-N 2 2 253.350 0.780 20 0 CCADLP O=S1(=O)CCC([NH2+]CCCn2cc[nH+]c2)CC1 ZINC000035652428 172329698 /nfs/dbraw/zinc/32/96/98/172329698.db2.gz GFCMAWBOTPATCN-UHFFFAOYSA-N 2 2 257.359 0.440 20 0 CCADLP C[C@@H](CCC[NH3+])NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659554570 413647056 /nfs/dbraw/zinc/64/70/56/413647056.db2.gz ULNNJGGVAJKWKT-QWHCGFSZSA-N 2 2 284.404 0.230 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659556813 413651597 /nfs/dbraw/zinc/65/15/97/413651597.db2.gz VNVWKYXKXVWKIJ-RWMBFGLXSA-N 2 2 284.404 0.228 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000659637403 413739433 /nfs/dbraw/zinc/73/94/33/413739433.db2.gz FKVIGKRBVKCDHW-CYBMUJFWSA-N 2 2 291.399 0.517 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC[C@]2(C)CC2(F)F)[C@@H](C[NH3+])C1 ZINC000659602660 413684302 /nfs/dbraw/zinc/68/43/02/413684302.db2.gz IXRPGTMQCYQWFF-CMPLNLGQSA-N 2 2 290.358 0.706 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC[C@]2(C)CC2(F)F)[C@@H](C[NH3+])C1 ZINC000659602660 413684312 /nfs/dbraw/zinc/68/43/12/413684312.db2.gz IXRPGTMQCYQWFF-CMPLNLGQSA-N 2 2 290.358 0.706 20 0 CCADLP C[C@@H](NC(=O)N1CCC(C[NH3+])CC1)c1[nH+]ccn1C ZINC000659628039 413724732 /nfs/dbraw/zinc/72/47/32/413724732.db2.gz KFFBJNAAMGIBBA-SNVBAGLBSA-N 2 2 265.361 0.861 20 0 CCADLP C[NH2+]C[C@@H]1CCCN1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000659627695 413725790 /nfs/dbraw/zinc/72/57/90/413725790.db2.gz HYLGFRYHCPMDAV-MNOVXSKESA-N 2 2 265.361 0.875 20 0 CCADLP COC[C@H](C[NH+]1CCN(Cc2[nH+]ccn2C)CC1)OC ZINC000659903458 413961674 /nfs/dbraw/zinc/96/16/74/413961674.db2.gz PDKZVGMJXWGDDY-ZDUSSCGKSA-N 2 2 282.388 0.199 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCc2c[nH]nn2)CC1 ZINC000659909289 413964315 /nfs/dbraw/zinc/96/43/15/413964315.db2.gz JHNQSQXMRMOZQQ-OAHLLOKOSA-N 2 2 292.431 0.449 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCc2c[nH]nn2)CC1 ZINC000659909289 413964324 /nfs/dbraw/zinc/96/43/24/413964324.db2.gz JHNQSQXMRMOZQQ-OAHLLOKOSA-N 2 2 292.431 0.449 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCc2cn[nH]n2)CC1 ZINC000659909289 413964332 /nfs/dbraw/zinc/96/43/32/413964332.db2.gz JHNQSQXMRMOZQQ-OAHLLOKOSA-N 2 2 292.431 0.449 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCc2cn[nH]n2)CC1 ZINC000659909289 413964338 /nfs/dbraw/zinc/96/43/38/413964338.db2.gz JHNQSQXMRMOZQQ-OAHLLOKOSA-N 2 2 292.431 0.449 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCSC[C@H]1CCO ZINC000660004428 414041480 /nfs/dbraw/zinc/04/14/80/414041480.db2.gz WLKKINXMVPBMPB-CHWSQXEVSA-N 2 2 276.446 0.487 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCSC[C@H]1CCO ZINC000660004428 414041489 /nfs/dbraw/zinc/04/14/89/414041489.db2.gz WLKKINXMVPBMPB-CHWSQXEVSA-N 2 2 276.446 0.487 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCSC[C@H]1CCO ZINC000660004428 414041500 /nfs/dbraw/zinc/04/15/00/414041500.db2.gz WLKKINXMVPBMPB-CHWSQXEVSA-N 2 2 276.446 0.487 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCSC[C@H]1CCO ZINC000660004428 414041508 /nfs/dbraw/zinc/04/15/08/414041508.db2.gz WLKKINXMVPBMPB-CHWSQXEVSA-N 2 2 276.446 0.487 20 0 CCADLP CCN1OC[C@H]([N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1=O ZINC000660129521 414138310 /nfs/dbraw/zinc/13/83/10/414138310.db2.gz QXODOIWFCRBLKZ-MNOVXSKESA-N 2 2 264.329 0.372 20 0 CCADLP CCN1OC[C@H]([N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1=O ZINC000660129521 414138317 /nfs/dbraw/zinc/13/83/17/414138317.db2.gz QXODOIWFCRBLKZ-MNOVXSKESA-N 2 2 264.329 0.372 20 0 CCADLP CCN1OC[C@H]([NH+]2CCC(c3c[nH]c[nH+]3)CC2)C1=O ZINC000660093200 414102900 /nfs/dbraw/zinc/10/29/00/414102900.db2.gz CRAXZMDPKWWEMB-LBPRGKRZSA-N 2 2 264.329 0.751 20 0 CCADLP CO[C@H](C[NH+]1CCN(c2[nH+]ccn2C)CC1)[C@@H]1CCOC1 ZINC000660114681 414118135 /nfs/dbraw/zinc/11/81/35/414118135.db2.gz YLVTXYVDJBSLLV-ZIAGYGMSSA-N 2 2 294.399 0.594 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000660389477 414286861 /nfs/dbraw/zinc/28/68/61/414286861.db2.gz LTHHMDZSLZQQBO-FQUUOJAGSA-N 2 2 283.416 0.273 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000660389477 414286867 /nfs/dbraw/zinc/28/68/67/414286867.db2.gz LTHHMDZSLZQQBO-FQUUOJAGSA-N 2 2 283.416 0.273 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000660389477 414286871 /nfs/dbraw/zinc/28/68/71/414286871.db2.gz LTHHMDZSLZQQBO-FQUUOJAGSA-N 2 2 283.416 0.273 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000660389477 414286875 /nfs/dbraw/zinc/28/68/75/414286875.db2.gz LTHHMDZSLZQQBO-FQUUOJAGSA-N 2 2 283.416 0.273 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000660389478 414287014 /nfs/dbraw/zinc/28/70/14/414287014.db2.gz LTHHMDZSLZQQBO-IGQOVBAYSA-N 2 2 283.416 0.273 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000660389478 414287018 /nfs/dbraw/zinc/28/70/18/414287018.db2.gz LTHHMDZSLZQQBO-IGQOVBAYSA-N 2 2 283.416 0.273 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000660389478 414287023 /nfs/dbraw/zinc/28/70/23/414287023.db2.gz LTHHMDZSLZQQBO-IGQOVBAYSA-N 2 2 283.416 0.273 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000660389478 414287028 /nfs/dbraw/zinc/28/70/28/414287028.db2.gz LTHHMDZSLZQQBO-IGQOVBAYSA-N 2 2 283.416 0.273 20 0 CCADLP COC[C@@H](C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)OC ZINC000660474539 414342529 /nfs/dbraw/zinc/34/25/29/414342529.db2.gz JPHWNPWRNWSLNW-HUUCEWRRSA-N 2 2 286.416 0.835 20 0 CCADLP COC[C@@H](C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)OC ZINC000660474539 414342538 /nfs/dbraw/zinc/34/25/38/414342538.db2.gz JPHWNPWRNWSLNW-HUUCEWRRSA-N 2 2 286.416 0.835 20 0 CCADLP CCN1CC[C@H]([N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000660486285 414355020 /nfs/dbraw/zinc/35/50/20/414355020.db2.gz ZUTYLBUXPYHTGV-CABCVRRESA-N 2 2 295.427 0.651 20 0 CCADLP CCN1CC[C@H]([N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000660486285 414355026 /nfs/dbraw/zinc/35/50/26/414355026.db2.gz ZUTYLBUXPYHTGV-CABCVRRESA-N 2 2 295.427 0.651 20 0 CCADLP C[C@@H](NC(=O)N[C@@H](C)c1[nH+]ccn1C)[C@H]1C[N@H+](C)CCO1 ZINC000660934267 414532892 /nfs/dbraw/zinc/53/28/92/414532892.db2.gz OLJJFNDWTPRUGN-GRYCIOLGSA-N 2 2 295.387 0.499 20 0 CCADLP C[C@@H](NC(=O)N[C@@H](C)c1[nH+]ccn1C)[C@H]1C[N@@H+](C)CCO1 ZINC000660934267 414532896 /nfs/dbraw/zinc/53/28/96/414532896.db2.gz OLJJFNDWTPRUGN-GRYCIOLGSA-N 2 2 295.387 0.499 20 0 CCADLP C[C@H]1COC2(CCC2)C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000661465550 414630841 /nfs/dbraw/zinc/63/08/41/414630841.db2.gz HXLXHXQTCNEPMO-ZDUSSCGKSA-N 2 2 281.400 0.404 20 0 CCADLP C[C@H]1COC2(CCC2)C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000661465550 414630843 /nfs/dbraw/zinc/63/08/43/414630843.db2.gz HXLXHXQTCNEPMO-ZDUSSCGKSA-N 2 2 281.400 0.404 20 0 CCADLP CC(C)[C@@H](C)NC(=O)C1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662258203 414701513 /nfs/dbraw/zinc/70/15/13/414701513.db2.gz SNIYDJXPGGBGSD-HIFRSBDPSA-N 2 2 297.443 0.848 20 0 CCADLP CN(C(=O)C[NH2+]C1(CO)CC[NH2+]CC1)c1ccccc1 ZINC000662285506 414705992 /nfs/dbraw/zinc/70/59/92/414705992.db2.gz CALUFUANVWEMAC-UHFFFAOYSA-N 2 2 277.368 0.354 20 0 CCADLP C[C@H]1CCCC[C@@H]1NC(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662285526 414706005 /nfs/dbraw/zinc/70/60/05/414706005.db2.gz COAKHCNPOFBUJC-STQMWFEESA-N 2 2 283.416 0.385 20 0 CCADLP Cc1cccc(NC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)c1 ZINC000662286238 414706662 /nfs/dbraw/zinc/70/66/62/414706662.db2.gz OBJMEGHNYGTEGN-UHFFFAOYSA-N 2 2 277.368 0.638 20 0 CCADLP Cc1ccc(C)c(OCCC[N@H+](CC[NH3+])C[C@H](O)CO)c1 ZINC000662289935 414706988 /nfs/dbraw/zinc/70/69/88/414706988.db2.gz ZSQLMQFUJILORV-HNNXBMFYSA-N 2 2 296.411 0.686 20 0 CCADLP Cc1ccc(C)c(OCCC[N@@H+](CC[NH3+])C[C@H](O)CO)c1 ZINC000662289935 414706989 /nfs/dbraw/zinc/70/69/89/414706989.db2.gz ZSQLMQFUJILORV-HNNXBMFYSA-N 2 2 296.411 0.686 20 0 CCADLP C[C@@H]1CCC[C@H](CC[N@H+](CC[NH3+])C[C@@H](O)CO)C1 ZINC000662288282 414707200 /nfs/dbraw/zinc/70/72/00/414707200.db2.gz NMKOYLYSXMVYFG-MGPQQGTHSA-N 2 2 258.406 0.817 20 0 CCADLP C[C@@H]1CCC[C@H](CC[N@@H+](CC[NH3+])C[C@@H](O)CO)C1 ZINC000662288282 414707201 /nfs/dbraw/zinc/70/72/01/414707201.db2.gz NMKOYLYSXMVYFG-MGPQQGTHSA-N 2 2 258.406 0.817 20 0 CCADLP C[C@@H]1CCC[C@H](CC[N@H+](CC[NH3+])C[C@H](O)CO)C1 ZINC000662288281 414707228 /nfs/dbraw/zinc/70/72/28/414707228.db2.gz NMKOYLYSXMVYFG-MCIONIFRSA-N 2 2 258.406 0.817 20 0 CCADLP C[C@@H]1CCC[C@H](CC[N@@H+](CC[NH3+])C[C@H](O)CO)C1 ZINC000662288281 414707229 /nfs/dbraw/zinc/70/72/29/414707229.db2.gz NMKOYLYSXMVYFG-MCIONIFRSA-N 2 2 258.406 0.817 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000662298852 414707817 /nfs/dbraw/zinc/70/78/17/414707817.db2.gz QXMXNNBNTYQUHL-BNOWGMLFSA-N 2 2 287.363 0.451 20 0 CCADLP C[C@@H]([NH3+])C[N@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000662298852 414707818 /nfs/dbraw/zinc/70/78/18/414707818.db2.gz QXMXNNBNTYQUHL-BNOWGMLFSA-N 2 2 287.363 0.451 20 0 CCADLP Cn1cc[nH+]c1CN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662324621 414710001 /nfs/dbraw/zinc/71/00/01/414710001.db2.gz ZJMOKGXJBNEXTL-CYBMUJFWSA-N 2 2 266.389 0.963 20 0 CCADLP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cn[nH]c2)CCO1 ZINC000662324853 414710076 /nfs/dbraw/zinc/71/00/76/414710076.db2.gz ZGQCGEOAWXVCOP-CYBMUJFWSA-N 2 2 252.362 0.952 20 0 CCADLP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cn[nH]c2)CCO1 ZINC000662324853 414710077 /nfs/dbraw/zinc/71/00/77/414710077.db2.gz ZGQCGEOAWXVCOP-CYBMUJFWSA-N 2 2 252.362 0.952 20 0 CCADLP CCN1CC[C@@H]([N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)C1=O ZINC000662326655 414710476 /nfs/dbraw/zinc/71/04/76/414710476.db2.gz YECQVRQUHLXTFO-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CCN1CC[C@@H]([N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)C1=O ZINC000662326655 414710477 /nfs/dbraw/zinc/71/04/77/414710477.db2.gz YECQVRQUHLXTFO-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC2(CCCC2=O)CC1 ZINC000661959164 414685419 /nfs/dbraw/zinc/68/54/19/414685419.db2.gz BDRMGFPZUMBSQN-AWEZNQCLSA-N 2 2 298.427 0.761 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC2(CCCC2=O)CC1 ZINC000661959164 414685420 /nfs/dbraw/zinc/68/54/20/414685420.db2.gz BDRMGFPZUMBSQN-AWEZNQCLSA-N 2 2 298.427 0.761 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccon2)CC1 ZINC000662048660 414689118 /nfs/dbraw/zinc/68/91/18/414689118.db2.gz IFEKUAFWNGVIDO-CQSZACIVSA-N 2 2 297.399 0.793 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccon2)CC1 ZINC000662048660 414689119 /nfs/dbraw/zinc/68/91/19/414689119.db2.gz IFEKUAFWNGVIDO-CQSZACIVSA-N 2 2 297.399 0.793 20 0 CCADLP CCn1cc[nH+]c1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662152219 414693371 /nfs/dbraw/zinc/69/33/71/414693371.db2.gz ACOIKCDGQSAJEL-CQSZACIVSA-N 2 2 278.400 0.934 20 0 CCADLP CCn1cc[nH+]c1CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662152219 414693372 /nfs/dbraw/zinc/69/33/72/414693372.db2.gz ACOIKCDGQSAJEL-CQSZACIVSA-N 2 2 278.400 0.934 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@H]1CC1(C)C ZINC000662343135 414711171 /nfs/dbraw/zinc/71/11/71/414711171.db2.gz HQWIXQMKXXXSHQ-CHWSQXEVSA-N 2 2 258.406 0.903 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@H]1CC1(C)C ZINC000662343135 414711172 /nfs/dbraw/zinc/71/11/72/414711172.db2.gz HQWIXQMKXXXSHQ-CHWSQXEVSA-N 2 2 258.406 0.903 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@H]1CC1(C)C ZINC000662343135 414711173 /nfs/dbraw/zinc/71/11/73/414711173.db2.gz HQWIXQMKXXXSHQ-CHWSQXEVSA-N 2 2 258.406 0.903 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@H]1CC1(C)C ZINC000662343135 414711174 /nfs/dbraw/zinc/71/11/74/414711174.db2.gz HQWIXQMKXXXSHQ-CHWSQXEVSA-N 2 2 258.406 0.903 20 0 CCADLP CCCN(C)CC(C)(C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000662177707 414695804 /nfs/dbraw/zinc/69/58/04/414695804.db2.gz KWLBCVACPKFTFG-UHFFFAOYSA-N 2 2 298.475 0.861 20 0 CCADLP CCC[N@H+](C)CC(C)(C)NCCC(=O)N1CC[NH+](C)CC1 ZINC000662177707 414695805 /nfs/dbraw/zinc/69/58/05/414695805.db2.gz KWLBCVACPKFTFG-UHFFFAOYSA-N 2 2 298.475 0.861 20 0 CCADLP CCC[N@@H+](C)CC(C)(C)NCCC(=O)N1CC[NH+](C)CC1 ZINC000662177707 414695806 /nfs/dbraw/zinc/69/58/06/414695806.db2.gz KWLBCVACPKFTFG-UHFFFAOYSA-N 2 2 298.475 0.861 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)COCC[NH3+])CC1(C)C ZINC000662760560 414769136 /nfs/dbraw/zinc/76/91/36/414769136.db2.gz WVRAMLKIAKBEHF-NSHDSACASA-N 2 2 266.345 0.305 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000662761342 414770448 /nfs/dbraw/zinc/77/04/48/414770448.db2.gz OQKXFLKKBZJLTR-AVGNSLFASA-N 2 2 283.416 0.681 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)N3CCO[C@H]([C@H](C)[NH3+])C3)ccn12 ZINC000662431883 414717910 /nfs/dbraw/zinc/71/79/10/414717910.db2.gz MZCRWSRISONZIN-AAEUAGOBSA-N 2 2 288.351 0.831 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000662449065 414719448 /nfs/dbraw/zinc/71/94/48/414719448.db2.gz UNINFXCKCBYMLA-CYBMUJFWSA-N 2 2 279.388 0.062 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662586180 414730336 /nfs/dbraw/zinc/73/03/36/414730336.db2.gz GTMVHRUXZYGPJL-GJZGRUSLSA-N 3 2 296.459 0.504 20 0 CCADLP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662653956 414737356 /nfs/dbraw/zinc/73/73/56/414737356.db2.gz AOOHVNRLZBGQCR-ZIAGYGMSSA-N 2 2 297.443 0.944 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000662666181 414738811 /nfs/dbraw/zinc/73/88/11/414738811.db2.gz QWSNQMKDNQNLHE-RVMXOQNASA-N 2 2 253.390 0.818 20 0 CCADLP COCC[NH+]1CCN(C(=O)c2cccc3c2C[NH2+]C3)CC1 ZINC000662669588 414739508 /nfs/dbraw/zinc/73/95/08/414739508.db2.gz FSDQWRFHAQHKHP-UHFFFAOYSA-N 2 2 289.379 0.694 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2[NH2+]CCC2(C)C)CCO1 ZINC000662702069 414743419 /nfs/dbraw/zinc/74/34/19/414743419.db2.gz WRIDWDCTJBWZOL-NEPJUHHUSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2[NH2+]CCC2(C)C)CCO1 ZINC000662702069 414743420 /nfs/dbraw/zinc/74/34/20/414743420.db2.gz WRIDWDCTJBWZOL-NEPJUHHUSA-N 2 2 269.389 0.211 20 0 CCADLP O=C(C[C@H]1CC[NH2+]C1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662703983 414743764 /nfs/dbraw/zinc/74/37/64/414743764.db2.gz QMOIETRTNJIRIT-OAHLLOKOSA-N 2 2 295.427 0.557 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)[C@H]3C[C@H]([NH3+])C3)cn21 ZINC000662726643 414746991 /nfs/dbraw/zinc/74/69/91/414746991.db2.gz HXXMHPQVEJNPBN-XYPYZODXSA-N 2 2 258.325 0.996 20 0 CCADLP O=C(NCc1ccc[nH+]c1N1CCCC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000662849732 414840913 /nfs/dbraw/zinc/84/09/13/414840913.db2.gz KEUVYCZAPMGING-CHWSQXEVSA-N 2 2 290.367 0.021 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662857907 414848213 /nfs/dbraw/zinc/84/82/13/414848213.db2.gz CUUXALQHXFJIBG-OLZOCXBDSA-N 2 2 295.427 0.887 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662857907 414848219 /nfs/dbraw/zinc/84/82/19/414848219.db2.gz CUUXALQHXFJIBG-OLZOCXBDSA-N 2 2 295.427 0.887 20 0 CCADLP CC[C@]1(C(=O)NCC[N@H+](C)CCC[NH+](C)C)CCC[NH2+]1 ZINC000662857470 414849615 /nfs/dbraw/zinc/84/96/15/414849615.db2.gz MGMGSFJJOJPATB-OAHLLOKOSA-N 3 2 284.448 0.518 20 0 CCADLP CC[C@]1(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCC[NH2+]1 ZINC000662857470 414849619 /nfs/dbraw/zinc/84/96/19/414849619.db2.gz MGMGSFJJOJPATB-OAHLLOKOSA-N 3 2 284.448 0.518 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2[NH2+]CCCC2(C)C)[C@@H](C)CO1 ZINC000662859472 414851132 /nfs/dbraw/zinc/85/11/32/414851132.db2.gz NGEMDUWTFUNYRR-BFHYXJOUSA-N 2 2 297.443 0.990 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2[NH2+]CCCC2(C)C)[C@@H](C)CO1 ZINC000662859472 414851134 /nfs/dbraw/zinc/85/11/34/414851134.db2.gz NGEMDUWTFUNYRR-BFHYXJOUSA-N 2 2 297.443 0.990 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)CC2([NH3+])CC2)[C@H](C)CO1 ZINC000662860428 414853250 /nfs/dbraw/zinc/85/32/50/414853250.db2.gz RWOIIJQEDXOCJG-GHMZBOCLSA-N 2 2 255.362 0.093 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)CC2([NH3+])CC2)[C@H](C)CO1 ZINC000662860428 414853252 /nfs/dbraw/zinc/85/32/52/414853252.db2.gz RWOIIJQEDXOCJG-GHMZBOCLSA-N 2 2 255.362 0.093 20 0 CCADLP C[C@@]1(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CCC[NH2+]C1 ZINC000662870348 414854355 /nfs/dbraw/zinc/85/43/55/414854355.db2.gz DZDIDJPYBQKWBF-UKRRQHHQSA-N 2 2 281.400 0.309 20 0 CCADLP O=C([C@@H]1CCCC[NH2+]1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662870287 414854795 /nfs/dbraw/zinc/85/47/95/414854795.db2.gz CEWQQMXARHJMFJ-STQMWFEESA-N 2 2 267.373 0.062 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)C[NH2+]CCOC ZINC000662899030 414880780 /nfs/dbraw/zinc/88/07/80/414880780.db2.gz CMVSJEGBTSVEPC-SNVBAGLBSA-N 2 2 254.334 0.316 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000662899686 414881152 /nfs/dbraw/zinc/88/11/52/414881152.db2.gz HXECPUOCZPDLDC-VXGBXAGGSA-N 2 2 280.372 0.849 20 0 CCADLP [NH3+][C@H]1C[C@@H](C(=O)N(CC[NH+]2CCOCC2)CC2CC2)C1 ZINC000662910074 414885740 /nfs/dbraw/zinc/88/57/40/414885740.db2.gz KCUHPSJHHQNKTL-OKILXGFUSA-N 2 2 281.400 0.295 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000662932448 414900702 /nfs/dbraw/zinc/90/07/02/414900702.db2.gz BHDCAXWHVXPJON-DCAQKATOSA-N 2 2 250.346 0.985 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1[NH2+]CCC1(C)C)c1[nH+]ccn1C ZINC000662932714 414902737 /nfs/dbraw/zinc/90/27/37/414902737.db2.gz CYKMCPVZNVZAJX-ZJUUUORDSA-N 2 2 250.346 0.985 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC000663363899 415051031 /nfs/dbraw/zinc/05/10/31/415051031.db2.gz NSUFQSRECURZHY-JKSUJKDBSA-N 3 2 297.443 0.284 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC000663363899 415051033 /nfs/dbraw/zinc/05/10/33/415051033.db2.gz NSUFQSRECURZHY-JKSUJKDBSA-N 3 2 297.443 0.284 20 0 CCADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1nc2c(s1)C[NH2+]CC2 ZINC000663493665 415076410 /nfs/dbraw/zinc/07/64/10/415076410.db2.gz CQQLOQHYTFPOMV-VHSXEESVSA-N 3 2 266.414 0.958 20 0 CCADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1nc2c(s1)C[NH2+]CC2 ZINC000663493665 415076414 /nfs/dbraw/zinc/07/64/14/415076414.db2.gz CQQLOQHYTFPOMV-VHSXEESVSA-N 3 2 266.414 0.958 20 0 CCADLP COCCn1cc(C[NH2+]CC23CC(C2)C[NH2+]3)cn1 ZINC000663501196 415079910 /nfs/dbraw/zinc/07/99/10/415079910.db2.gz CRALQUIIGQPPSN-UHFFFAOYSA-N 2 2 250.346 0.371 20 0 CCADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)NC1CC1 ZINC000663305371 415039501 /nfs/dbraw/zinc/03/95/01/415039501.db2.gz YMVVIAZPVRORAD-SMDDNHRTSA-N 2 2 281.400 0.496 20 0 CCADLP C[C@@H]1C[C@@H]1CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000663717731 415118806 /nfs/dbraw/zinc/11/88/06/415118806.db2.gz VHHUUXXYCKGPDB-CHWSQXEVSA-N 2 2 270.421 0.825 20 0 CCADLP C[C@@H]1C[C@@H]1CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000663717731 415118811 /nfs/dbraw/zinc/11/88/11/415118811.db2.gz VHHUUXXYCKGPDB-CHWSQXEVSA-N 2 2 270.421 0.825 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnns1 ZINC000664330763 415344260 /nfs/dbraw/zinc/34/42/60/415344260.db2.gz MUHXBXATMZWZQT-UHFFFAOYSA-N 2 2 271.390 0.151 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnns1 ZINC000664330763 415344262 /nfs/dbraw/zinc/34/42/62/415344262.db2.gz MUHXBXATMZWZQT-UHFFFAOYSA-N 2 2 271.390 0.151 20 0 CCADLP CCc1cc(N(CC[NH+](C)C)CC(=O)N(C)C)nc(C)[nH+]1 ZINC000664354794 415358533 /nfs/dbraw/zinc/35/85/33/415358533.db2.gz GUOMBPCMGNHTST-UHFFFAOYSA-N 2 2 293.415 0.804 20 0 CCADLP C[C@H](CCNC(=O)NCCc1cn(C)c[nH+]1)[NH+](C)C ZINC000665109385 415539082 /nfs/dbraw/zinc/53/90/82/415539082.db2.gz KTUUQVLKDPYHID-LLVKDONJSA-N 2 2 267.377 0.602 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000353441994 287321415 /nfs/dbraw/zinc/32/14/15/287321415.db2.gz GCJHHZKCKHUKFA-OLZOCXBDSA-N 2 2 283.416 0.602 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000353441994 287321417 /nfs/dbraw/zinc/32/14/17/287321417.db2.gz GCJHHZKCKHUKFA-OLZOCXBDSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@H]1COCCN1CC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000192726657 227275370 /nfs/dbraw/zinc/27/53/70/227275370.db2.gz PLLQJCCCEMBZKJ-LSDHHAIUSA-N 2 2 269.433 0.981 20 0 CCADLP C[C@H]1COCCN1CC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000192726657 227275376 /nfs/dbraw/zinc/27/53/76/227275376.db2.gz PLLQJCCCEMBZKJ-LSDHHAIUSA-N 2 2 269.433 0.981 20 0 CCADLP C[C@H]1COCCN1CC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000192726657 227275381 /nfs/dbraw/zinc/27/53/81/227275381.db2.gz PLLQJCCCEMBZKJ-LSDHHAIUSA-N 2 2 269.433 0.981 20 0 CCADLP C[C@H]1COCCN1CC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000192726657 227275386 /nfs/dbraw/zinc/27/53/86/227275386.db2.gz PLLQJCCCEMBZKJ-LSDHHAIUSA-N 2 2 269.433 0.981 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCN(C)C[C@@H]1CCC[NH+](C)C1 ZINC000192726657 227275392 /nfs/dbraw/zinc/27/53/92/227275392.db2.gz PLLQJCCCEMBZKJ-LSDHHAIUSA-N 2 2 269.433 0.981 20 0 CCADLP C[C@H]1COCC[N@H+]1CCN(C)C[C@@H]1CCC[NH+](C)C1 ZINC000192726657 227275395 /nfs/dbraw/zinc/27/53/95/227275395.db2.gz PLLQJCCCEMBZKJ-LSDHHAIUSA-N 2 2 269.433 0.981 20 0 CCADLP C[C@H]1COCC[NH+]1CCN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000192726657 227275400 /nfs/dbraw/zinc/27/54/00/227275400.db2.gz PLLQJCCCEMBZKJ-LSDHHAIUSA-N 2 2 269.433 0.981 20 0 CCADLP C[C@H]1COCC[NH+]1CCN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000192726657 227275406 /nfs/dbraw/zinc/27/54/06/227275406.db2.gz PLLQJCCCEMBZKJ-LSDHHAIUSA-N 2 2 269.433 0.981 20 0 CCADLP CC[NH+](CC)CC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000063729303 544447874 /nfs/dbraw/zinc/44/78/74/544447874.db2.gz SZEOIQMBLVOEFY-MCIONIFRSA-N 2 2 285.432 0.942 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000080530516 544479602 /nfs/dbraw/zinc/47/96/02/544479602.db2.gz YQDZRYMTQVBQQF-GFCCVEGCSA-N 2 2 258.325 0.938 20 0 CCADLP [NH3+]Cc1ccc(C(=O)N2CC[NH+](CC3CC3)CC2)o1 ZINC000094568642 544545407 /nfs/dbraw/zinc/54/54/07/544545407.db2.gz CHIDJOCHOONRIB-UHFFFAOYSA-N 2 2 263.341 0.906 20 0 CCADLP C[N@H+](Cc1cccc2c1CC[NH2+]C2)[C@H]1CCS(=O)(=O)C1 ZINC000123908752 544584678 /nfs/dbraw/zinc/58/46/78/544584678.db2.gz FOLBUBPKEVRPMI-AWEZNQCLSA-N 2 2 294.420 0.951 20 0 CCADLP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@H]1CCS(=O)(=O)C1 ZINC000123908752 544584683 /nfs/dbraw/zinc/58/46/83/544584683.db2.gz FOLBUBPKEVRPMI-AWEZNQCLSA-N 2 2 294.420 0.951 20 0 CCADLP O=C(C[NH+]1CCN(c2cc[nH+]cc2)CC1)NCC1CC1 ZINC000125239187 544590171 /nfs/dbraw/zinc/59/01/71/544590171.db2.gz AAHFFUBXTHZFMX-UHFFFAOYSA-N 2 2 274.368 0.730 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000147511162 544646343 /nfs/dbraw/zinc/64/63/43/544646343.db2.gz MVHUWTAPXFQBBO-AXFHLTTASA-N 2 2 270.377 0.280 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000147511162 544646348 /nfs/dbraw/zinc/64/63/48/544646348.db2.gz MVHUWTAPXFQBBO-AXFHLTTASA-N 2 2 270.377 0.280 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2cccnn2)CC1 ZINC000151862448 544654281 /nfs/dbraw/zinc/65/42/81/544654281.db2.gz ZIWOGPFMFQSLII-UHFFFAOYSA-N 2 2 292.387 0.624 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN(C)Cc2[nH+]ccn2C)C[C@@H](C)O1 ZINC000153376428 544663814 /nfs/dbraw/zinc/66/38/14/544663814.db2.gz ZPYNNUWWJSYUGT-MGPQQGTHSA-N 2 2 296.415 0.322 20 0 CCADLP C[NH+](C)CCCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000220526223 544816297 /nfs/dbraw/zinc/81/62/97/544816297.db2.gz ALWKDLTVQUXYER-SNVBAGLBSA-N 2 2 250.346 0.583 20 0 CCADLP C[NH+](C)CCCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000220526223 544816299 /nfs/dbraw/zinc/81/62/99/544816299.db2.gz ALWKDLTVQUXYER-SNVBAGLBSA-N 2 2 250.346 0.583 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000280046673 544957002 /nfs/dbraw/zinc/95/70/02/544957002.db2.gz VXYSHDRCYMEVJQ-GXFFZTMASA-N 2 2 262.357 0.941 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000280046673 544957006 /nfs/dbraw/zinc/95/70/06/544957006.db2.gz VXYSHDRCYMEVJQ-GXFFZTMASA-N 2 2 262.357 0.941 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000280046673 544957009 /nfs/dbraw/zinc/95/70/09/544957009.db2.gz VXYSHDRCYMEVJQ-GXFFZTMASA-N 2 2 262.357 0.941 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000280046673 544957013 /nfs/dbraw/zinc/95/70/13/544957013.db2.gz VXYSHDRCYMEVJQ-GXFFZTMASA-N 2 2 262.357 0.941 20 0 CCADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ncc[nH]1 ZINC000353504784 545071348 /nfs/dbraw/zinc/07/13/48/545071348.db2.gz SZRAHJUEOFIHKE-RYUDHWBXSA-N 2 2 251.378 0.696 20 0 CCADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCc1c[nH+]cn1C ZINC000356770809 545077761 /nfs/dbraw/zinc/07/77/61/545077761.db2.gz BLWBRKGXGCHYLD-AWEZNQCLSA-N 2 2 294.399 0.830 20 0 CCADLP CCc1nc([C@H]2C[N@H+](CC3CC[NH2+]CC3)CCO2)n[nH]1 ZINC000346839720 265119658 /nfs/dbraw/zinc/11/96/58/265119658.db2.gz SPFARWLXFOHZPR-GFCCVEGCSA-N 2 2 279.388 0.740 20 0 CCADLP CCc1nc([C@H]2C[N@@H+](CC3CC[NH2+]CC3)CCO2)n[nH]1 ZINC000346839720 265119660 /nfs/dbraw/zinc/11/96/60/265119660.db2.gz SPFARWLXFOHZPR-GFCCVEGCSA-N 2 2 279.388 0.740 20 0 CCADLP COCC[NH+]1CCN(c2nc(C)[nH+]c(N(C)C)n2)CC1 ZINC000488381198 274031753 /nfs/dbraw/zinc/03/17/53/274031753.db2.gz ROZDPQPTJHPRFV-UHFFFAOYSA-N 2 2 280.376 0.014 20 0 CCADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NC(=O)NC)C1 ZINC000173899016 276074678 /nfs/dbraw/zinc/07/46/78/276074678.db2.gz XRSXPVFMYVTCPN-WDEREUQCSA-N 2 2 270.377 0.104 20 0 CCADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NC(=O)NC)C1 ZINC000173899016 276074680 /nfs/dbraw/zinc/07/46/80/276074680.db2.gz XRSXPVFMYVTCPN-WDEREUQCSA-N 2 2 270.377 0.104 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C1 ZINC000173899016 276074681 /nfs/dbraw/zinc/07/46/81/276074681.db2.gz XRSXPVFMYVTCPN-WDEREUQCSA-N 2 2 270.377 0.104 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NC)C1 ZINC000173899016 276074683 /nfs/dbraw/zinc/07/46/83/276074683.db2.gz XRSXPVFMYVTCPN-WDEREUQCSA-N 2 2 270.377 0.104 20 0 CCADLP CCN1CC[NH+]([C@H]2CCN(C(=O)CCC[NH2+]C)C2)CC1 ZINC000514861129 276387080 /nfs/dbraw/zinc/38/70/80/276387080.db2.gz XHLKJHVSKVCGLF-AWEZNQCLSA-N 2 2 282.432 0.224 20 0 CCADLP CN1C(=O)CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1=O ZINC000328599856 277008090 /nfs/dbraw/zinc/00/80/90/277008090.db2.gz CNPUWXSLXHEDMA-LBPRGKRZSA-N 2 2 265.357 0.350 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN2C(=O)CC[C@H]2C1 ZINC000334319395 277078408 /nfs/dbraw/zinc/07/84/08/277078408.db2.gz XUPVILRAOAHJPP-STQMWFEESA-N 2 2 251.374 0.777 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN2C(=O)CC[C@H]2C1 ZINC000334319395 277078409 /nfs/dbraw/zinc/07/84/09/277078409.db2.gz XUPVILRAOAHJPP-STQMWFEESA-N 2 2 251.374 0.777 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000334319395 277078411 /nfs/dbraw/zinc/07/84/11/277078411.db2.gz XUPVILRAOAHJPP-STQMWFEESA-N 2 2 251.374 0.777 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000334319395 277078413 /nfs/dbraw/zinc/07/84/13/277078413.db2.gz XUPVILRAOAHJPP-STQMWFEESA-N 2 2 251.374 0.777 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000334241876 277095751 /nfs/dbraw/zinc/09/57/51/277095751.db2.gz PWNQRCRTLWBEHY-LBPRGKRZSA-N 2 2 276.384 0.998 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000334241876 277095750 /nfs/dbraw/zinc/09/57/50/277095750.db2.gz PWNQRCRTLWBEHY-LBPRGKRZSA-N 2 2 276.384 0.998 20 0 CCADLP CC(=O)[C@](C)(O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000451073408 277100947 /nfs/dbraw/zinc/10/09/47/277100947.db2.gz ZVZXYEUCGUXDLG-ZIAGYGMSSA-N 2 2 254.374 0.744 20 0 CCADLP CC(=O)[C@](C)(O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000451073408 277100948 /nfs/dbraw/zinc/10/09/48/277100948.db2.gz ZVZXYEUCGUXDLG-ZIAGYGMSSA-N 2 2 254.374 0.744 20 0 CCADLP CC(=O)[C@](C)(O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000451073408 277100949 /nfs/dbraw/zinc/10/09/49/277100949.db2.gz ZVZXYEUCGUXDLG-ZIAGYGMSSA-N 2 2 254.374 0.744 20 0 CCADLP CC(=O)[C@](C)(O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000451073408 277100950 /nfs/dbraw/zinc/10/09/50/277100950.db2.gz ZVZXYEUCGUXDLG-ZIAGYGMSSA-N 2 2 254.374 0.744 20 0 CCADLP COC(=O)[C@H](C1CC1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000359597987 277118307 /nfs/dbraw/zinc/11/83/07/277118307.db2.gz OPRAXJCQAITRDV-HNNXBMFYSA-N 2 2 297.443 0.896 20 0 CCADLP COC(=O)[C@H](C1CC1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000359597987 277118309 /nfs/dbraw/zinc/11/83/09/277118309.db2.gz OPRAXJCQAITRDV-HNNXBMFYSA-N 2 2 297.443 0.896 20 0 CCADLP COC(=O)[C@H](C1CC1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000359597987 277118311 /nfs/dbraw/zinc/11/83/11/277118311.db2.gz OPRAXJCQAITRDV-HNNXBMFYSA-N 2 2 297.443 0.896 20 0 CCADLP COC(=O)[C@H](C1CC1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000359597987 277118312 /nfs/dbraw/zinc/11/83/12/277118312.db2.gz OPRAXJCQAITRDV-HNNXBMFYSA-N 2 2 297.443 0.896 20 0 CCADLP CO[C@@H](C)CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372742371 277276547 /nfs/dbraw/zinc/27/65/47/277276547.db2.gz QKUSXWJAFVZTFT-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP CO[C@@H](C)CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372742371 277276548 /nfs/dbraw/zinc/27/65/48/277276548.db2.gz QKUSXWJAFVZTFT-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000221100093 277386244 /nfs/dbraw/zinc/38/62/44/277386244.db2.gz FBJNBYFSJJOMSM-CYBMUJFWSA-N 2 2 274.430 0.884 20 0 CCADLP C(CN1C[C@H]2CC[C@@H](C1)O2)[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423151689 277718996 /nfs/dbraw/zinc/71/89/96/277718996.db2.gz KRJQPPOLHITDJU-FZKCQIBNSA-N 2 2 295.427 0.206 20 0 CCADLP C1CC1[C@@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1C[NH2+]CCO1 ZINC000423539873 277757638 /nfs/dbraw/zinc/75/76/38/277757638.db2.gz CDEGIHXDFOBUHC-DGADGQDISA-N 3 2 279.428 0.731 20 0 CCADLP C[C@@H]1C[C@H]([NH+](C)CCN2CCNC2=O)CC[N@@H+]1C ZINC000336791629 278014300 /nfs/dbraw/zinc/01/43/00/278014300.db2.gz OGAARXXGPYQQHB-VXGBXAGGSA-N 2 2 254.378 0.426 20 0 CCADLP C[C@@H]1C[C@H]([NH+](C)CCN2CCNC2=O)CC[N@H+]1C ZINC000336791629 278014302 /nfs/dbraw/zinc/01/43/02/278014302.db2.gz OGAARXXGPYQQHB-VXGBXAGGSA-N 2 2 254.378 0.426 20 0 CCADLP C[C@@H]1C[C@H]([N@H+](C)CCN2CCNC2=O)CC[NH+]1C ZINC000336791629 278014303 /nfs/dbraw/zinc/01/43/03/278014303.db2.gz OGAARXXGPYQQHB-VXGBXAGGSA-N 2 2 254.378 0.426 20 0 CCADLP C[C@@H]1C[C@H]([N@@H+](C)CCN2CCNC2=O)CC[NH+]1C ZINC000336791629 278014305 /nfs/dbraw/zinc/01/43/05/278014305.db2.gz OGAARXXGPYQQHB-VXGBXAGGSA-N 2 2 254.378 0.426 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCC(=O)N1CCCCC1 ZINC000422697536 278373531 /nfs/dbraw/zinc/37/35/31/278373531.db2.gz UYFNEVCEMZYCJS-QWHCGFSZSA-N 2 2 253.390 0.977 20 0 CCADLP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1nccn1C ZINC000330890181 288050427 /nfs/dbraw/zinc/05/04/27/288050427.db2.gz VULLXIFONINRLC-WCQYABFASA-N 2 2 252.362 0.527 20 0 CCADLP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1nccn1C ZINC000330890181 288050428 /nfs/dbraw/zinc/05/04/28/288050428.db2.gz VULLXIFONINRLC-WCQYABFASA-N 2 2 252.362 0.527 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@H]1CCCC[NH+]1CCO ZINC000453259287 288077204 /nfs/dbraw/zinc/07/72/04/288077204.db2.gz ICYAXKSFOATNHC-KFWWJZLASA-N 2 2 269.433 0.763 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@H]1CCCC[NH+]1CCO ZINC000453259287 288077207 /nfs/dbraw/zinc/07/72/07/288077207.db2.gz ICYAXKSFOATNHC-KFWWJZLASA-N 2 2 269.433 0.763 20 0 CCADLP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@H]1CCCC[N@@H+]1CCO ZINC000453259287 288077208 /nfs/dbraw/zinc/07/72/08/288077208.db2.gz ICYAXKSFOATNHC-KFWWJZLASA-N 2 2 269.433 0.763 20 0 CCADLP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@H]1CCCC[N@H+]1CCO ZINC000453259287 288077210 /nfs/dbraw/zinc/07/72/10/288077210.db2.gz ICYAXKSFOATNHC-KFWWJZLASA-N 2 2 269.433 0.763 20 0 CCADLP Cc1nc(N2CC[C@@H](N3CC[NH2+]CC3)C2)c(C)c(C)[nH+]1 ZINC000420251468 279076295 /nfs/dbraw/zinc/07/62/95/279076295.db2.gz LPRSSSLHKLNAIU-CQSZACIVSA-N 2 2 275.400 0.886 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000277574927 279171361 /nfs/dbraw/zinc/17/13/61/279171361.db2.gz VIAALOFVCMMEKK-PIGZYNQJSA-N 2 2 255.387 0.892 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000277574927 279171362 /nfs/dbraw/zinc/17/13/62/279171362.db2.gz VIAALOFVCMMEKK-PIGZYNQJSA-N 2 2 255.387 0.892 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H](O)C(C)(C)C2)CC1 ZINC000447861480 279346567 /nfs/dbraw/zinc/34/65/67/279346567.db2.gz BDKODHPMSIBRGH-QWHCGFSZSA-N 2 2 283.416 0.242 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H](O)C(C)(C)C2)CC1 ZINC000447861480 279346568 /nfs/dbraw/zinc/34/65/68/279346568.db2.gz BDKODHPMSIBRGH-QWHCGFSZSA-N 2 2 283.416 0.242 20 0 CCADLP CCN1CC[NH+](CCCC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422861494 279356695 /nfs/dbraw/zinc/35/66/95/279356695.db2.gz MTRIJHIKCNHHFE-HOTGVXAUSA-N 3 2 282.476 0.992 20 0 CCADLP CC[NH+]1CCN(CCCC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422861494 279356698 /nfs/dbraw/zinc/35/66/98/279356698.db2.gz MTRIJHIKCNHHFE-HOTGVXAUSA-N 3 2 282.476 0.992 20 0 CCADLP CC[NH+]1CCN(CCC[NH2+][C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000347716790 279357380 /nfs/dbraw/zinc/35/73/80/279357380.db2.gz IURVQWXIVFYZKG-CABCVRRESA-N 3 2 268.449 0.554 20 0 CCADLP CC[NH+]1CCN(CCC[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000347716790 279357383 /nfs/dbraw/zinc/35/73/83/279357383.db2.gz IURVQWXIVFYZKG-CABCVRRESA-N 3 2 268.449 0.554 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NC(C)(C)C)C2)CC1 ZINC000107372280 279372299 /nfs/dbraw/zinc/37/22/99/279372299.db2.gz PDRJXTYFCCKQRH-AWEZNQCLSA-N 2 2 296.459 0.613 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NC(C)(C)C)C2)CC1 ZINC000107372280 279372301 /nfs/dbraw/zinc/37/23/01/279372301.db2.gz PDRJXTYFCCKQRH-AWEZNQCLSA-N 2 2 296.459 0.613 20 0 CCADLP C[C@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000237399630 279392794 /nfs/dbraw/zinc/39/27/94/279392794.db2.gz LFERIEASSSIEAA-ZDUSSCGKSA-N 3 2 282.432 0.400 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1CSC[NH2+]1 ZINC000360169480 288130811 /nfs/dbraw/zinc/13/08/11/288130811.db2.gz JIVXUXGSYVRUDF-IEBDPFPHSA-N 2 2 255.387 0.248 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1CSC[NH2+]1 ZINC000360169480 288130814 /nfs/dbraw/zinc/13/08/14/288130814.db2.gz JIVXUXGSYVRUDF-IEBDPFPHSA-N 2 2 255.387 0.248 20 0 CCADLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000422744838 280186865 /nfs/dbraw/zinc/18/68/65/280186865.db2.gz UGEROVGUGVYXEZ-ZNMIVQPWSA-N 3 2 296.459 0.694 20 0 CCADLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000422744838 280186868 /nfs/dbraw/zinc/18/68/68/280186868.db2.gz UGEROVGUGVYXEZ-ZNMIVQPWSA-N 3 2 296.459 0.694 20 0 CCADLP CC[C@H]1CN(C(=O)C2([NH3+])CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000353723315 281127765 /nfs/dbraw/zinc/12/77/65/281127765.db2.gz IMCULYYJVABMQX-RYUDHWBXSA-N 2 2 267.373 0.047 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000236702170 282072876 /nfs/dbraw/zinc/07/28/76/282072876.db2.gz XZYYPVMUURRRCO-OLZOCXBDSA-N 2 2 285.432 0.977 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000114478646 289195594 /nfs/dbraw/zinc/19/55/94/289195594.db2.gz CRADZUOOAUWIRD-NSHDSACASA-N 2 2 275.356 0.406 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000114478646 289195595 /nfs/dbraw/zinc/19/55/95/289195595.db2.gz CRADZUOOAUWIRD-NSHDSACASA-N 2 2 275.356 0.406 20 0 CCADLP C[NH+](C)C[C@](C)(O)CNc1cc(N2CCCC2)nc[nH+]1 ZINC000277824698 289222809 /nfs/dbraw/zinc/22/28/09/289222809.db2.gz PEGHEWYDGNVKNI-CQSZACIVSA-N 2 2 279.388 0.801 20 0 CCADLP C[NH+](C)C[C@](C)(O)CNc1cc(N2CCCC2)[nH+]cn1 ZINC000277824698 289222812 /nfs/dbraw/zinc/22/28/12/289222812.db2.gz PEGHEWYDGNVKNI-CQSZACIVSA-N 2 2 279.388 0.801 20 0 CCADLP CN(C(=O)C[N@@H+]1CCO[C@H]2C[C@H]([NH+](C)C)CC[C@H]21)C1CC1 ZINC000374423188 289323112 /nfs/dbraw/zinc/32/31/12/289323112.db2.gz VLCSLYCQESCTBV-KFWWJZLASA-N 2 2 295.427 0.791 20 0 CCADLP CN(C(=O)C[N@H+]1CCO[C@H]2C[C@H]([NH+](C)C)CC[C@H]21)C1CC1 ZINC000374423188 289323114 /nfs/dbraw/zinc/32/31/14/289323114.db2.gz VLCSLYCQESCTBV-KFWWJZLASA-N 2 2 295.427 0.791 20 0 CCADLP C[C@H](O)[C@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)CCO1 ZINC000412068316 290168380 /nfs/dbraw/zinc/16/83/80/290168380.db2.gz IHDZXWCWMQKKFA-MELADBBJSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@H](O)[C@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)CCO1 ZINC000412068316 290168381 /nfs/dbraw/zinc/16/83/81/290168381.db2.gz IHDZXWCWMQKKFA-MELADBBJSA-N 2 2 256.390 0.942 20 0 CCADLP CNC(=O)C[C@@H](C)[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000358172462 290444511 /nfs/dbraw/zinc/44/45/11/290444511.db2.gz STXUINZLUBJLGW-NWDGAFQWSA-N 2 2 257.378 0.211 20 0 CCADLP COC[C@H]([NH3+])C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000262272768 293116587 /nfs/dbraw/zinc/11/65/87/293116587.db2.gz KQYCNDZZITWFDG-UWVGGRQHSA-N 2 2 252.318 0.437 20 0 CCADLP C[C@@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)C[C@@H](C(N)=O)O1 ZINC000351735840 297009652 /nfs/dbraw/zinc/00/96/52/297009652.db2.gz CJHBGTFTJHKNLB-UPJWGTAASA-N 2 2 269.389 0.435 20 0 CCADLP C[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)C[C@@H](C(N)=O)O1 ZINC000351735840 297009654 /nfs/dbraw/zinc/00/96/54/297009654.db2.gz CJHBGTFTJHKNLB-UPJWGTAASA-N 2 2 269.389 0.435 20 0 CCADLP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)C[C@@H](C(N)=O)O1 ZINC000351735840 297009656 /nfs/dbraw/zinc/00/96/56/297009656.db2.gz CJHBGTFTJHKNLB-UPJWGTAASA-N 2 2 269.389 0.435 20 0 CCADLP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)C[C@@H](C(N)=O)O1 ZINC000351735840 297009657 /nfs/dbraw/zinc/00/96/57/297009657.db2.gz CJHBGTFTJHKNLB-UPJWGTAASA-N 2 2 269.389 0.435 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000449343027 297110864 /nfs/dbraw/zinc/11/08/64/297110864.db2.gz HEGXDCXZYLMJND-QLFBSQMISA-N 2 2 295.427 0.555 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000430881998 297126964 /nfs/dbraw/zinc/12/69/64/297126964.db2.gz GPDSZSVUFROUDT-HIFRSBDPSA-N 2 2 291.395 0.566 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000430881998 297126966 /nfs/dbraw/zinc/12/69/66/297126966.db2.gz GPDSZSVUFROUDT-HIFRSBDPSA-N 2 2 291.395 0.566 20 0 CCADLP CC(C)(CNC(=O)CC1([NH3+])CC1)[NH+]1CCOCC1 ZINC000398032820 545088950 /nfs/dbraw/zinc/08/89/50/545088950.db2.gz FBVVUMVICNJHRK-UHFFFAOYSA-N 2 2 255.362 0.095 20 0 CCADLP O=C(CC[C@@H]1CCC[NH2+]1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394380316 545088149 /nfs/dbraw/zinc/08/81/49/545088149.db2.gz NTJJBXHOYHNNIC-UONOGXRCSA-N 2 2 280.416 0.025 20 0 CCADLP O=C(CC[C@@H]1CCC[NH2+]1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000394380316 545088150 /nfs/dbraw/zinc/08/81/50/545088150.db2.gz NTJJBXHOYHNNIC-UONOGXRCSA-N 2 2 280.416 0.025 20 0 CCADLP C[C@H](C(=O)N1CCCC[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000428962414 298023609 /nfs/dbraw/zinc/02/36/09/298023609.db2.gz KCALUUXBFHBCKI-NEPJUHHUSA-N 2 2 255.362 0.047 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449647351 528463556 /nfs/dbraw/zinc/46/35/56/528463556.db2.gz PPQLSCDJFXLNKT-ONGXEEELSA-N 2 2 263.332 0.865 20 0 CCADLP Cn1ccnc1[C@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CCN1C ZINC000262033443 303007800 /nfs/dbraw/zinc/00/78/00/303007800.db2.gz XKXMWTKJGLQIPH-UONOGXRCSA-N 2 2 277.416 0.708 20 0 CCADLP Cn1ccnc1[C@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CCN1C ZINC000262033443 303007801 /nfs/dbraw/zinc/00/78/01/303007801.db2.gz XKXMWTKJGLQIPH-UONOGXRCSA-N 2 2 277.416 0.708 20 0 CCADLP O=C(NCC[C@H]1CCC[NH2+]1)NC[C@H]1CC[NH2+]CC1(F)F ZINC000418582771 303781259 /nfs/dbraw/zinc/78/12/59/303781259.db2.gz VTZUOIRMZQPCHN-GHMZBOCLSA-N 2 2 290.358 0.673 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(F)(F)[C@@H](CO)C1 ZINC000404074701 545091155 /nfs/dbraw/zinc/09/11/55/545091155.db2.gz XOYADBUBDJEKIL-VXGBXAGGSA-N 2 2 280.359 0.637 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(F)(F)[C@@H](CO)C1 ZINC000404074701 545091156 /nfs/dbraw/zinc/09/11/56/545091156.db2.gz XOYADBUBDJEKIL-VXGBXAGGSA-N 2 2 280.359 0.637 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000404074701 545091157 /nfs/dbraw/zinc/09/11/57/545091157.db2.gz XOYADBUBDJEKIL-VXGBXAGGSA-N 2 2 280.359 0.637 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000404074701 545091158 /nfs/dbraw/zinc/09/11/58/545091158.db2.gz XOYADBUBDJEKIL-VXGBXAGGSA-N 2 2 280.359 0.637 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000582861907 329278049 /nfs/dbraw/zinc/27/80/49/329278049.db2.gz BMNKNFHZOQLWQS-VXGBXAGGSA-N 2 2 264.373 0.902 20 0 CCADLP CN(C)c1ccc(CNC(=O)CC[NH2+]C2CC2)c[nH+]1 ZINC000574464157 327337681 /nfs/dbraw/zinc/33/76/81/327337681.db2.gz ACUQKHWYQDHDQR-UHFFFAOYSA-N 2 2 262.357 0.906 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000582736216 329133954 /nfs/dbraw/zinc/13/39/54/329133954.db2.gz VIALMJIZVXPKSK-OPFPJEHXSA-N 2 2 283.416 0.731 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000582736216 329133955 /nfs/dbraw/zinc/13/39/55/329133955.db2.gz VIALMJIZVXPKSK-OPFPJEHXSA-N 2 2 283.416 0.731 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)[C@H]2CC[NH+](C)C2)CCO1 ZINC000582801439 329217753 /nfs/dbraw/zinc/21/77/53/329217753.db2.gz UPNBMBNCHUWDRO-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)[C@H]2CC[NH+](C)C2)CCO1 ZINC000582801439 329217754 /nfs/dbraw/zinc/21/77/54/329217754.db2.gz UPNBMBNCHUWDRO-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP CC[C@H]1C[NH+](CCNC(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC000582801439 329217756 /nfs/dbraw/zinc/21/77/56/329217756.db2.gz UPNBMBNCHUWDRO-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP CC[C@H]1C[NH+](CCNC(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC000582801439 329217757 /nfs/dbraw/zinc/21/77/57/329217757.db2.gz UPNBMBNCHUWDRO-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000583152396 329323498 /nfs/dbraw/zinc/32/34/98/329323498.db2.gz ZBKFOHWMYBARJT-ZDUSSCGKSA-N 2 2 285.413 0.862 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000583152396 329323499 /nfs/dbraw/zinc/32/34/99/329323499.db2.gz ZBKFOHWMYBARJT-ZDUSSCGKSA-N 2 2 285.413 0.862 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@H]2CC[C@H](O)CC2)C[C@H](C)O1 ZINC000583138601 329325439 /nfs/dbraw/zinc/32/54/39/329325439.db2.gz BIOJJMMPZXMCCA-XLWJZTARSA-N 2 2 286.416 0.350 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@H]2CC[C@H](O)CC2)C[C@H](C)O1 ZINC000583138601 329325440 /nfs/dbraw/zinc/32/54/40/329325440.db2.gz BIOJJMMPZXMCCA-XLWJZTARSA-N 2 2 286.416 0.350 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+][C@H]2CC[C@H](O)CC2)C[C@@H](C)O1 ZINC000583138600 329325623 /nfs/dbraw/zinc/32/56/23/329325623.db2.gz BIOJJMMPZXMCCA-RYPNDVFKSA-N 2 2 286.416 0.350 20 0 CCADLP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000584517537 329509460 /nfs/dbraw/zinc/50/94/60/329509460.db2.gz RAAOZBJWEFPDTB-ZZVYKPCYSA-N 2 2 280.393 0.656 20 0 CCADLP C[NH+]1CCC(CNC(=O)NCCn2cc[nH+]c2)CC1 ZINC000171002061 330123195 /nfs/dbraw/zinc/12/31/95/330123195.db2.gz DFVZYDMRZFJRLK-UHFFFAOYSA-N 2 2 265.361 0.524 20 0 CCADLP C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C)[NH+]1CCOCC1 ZINC000580463455 330142780 /nfs/dbraw/zinc/14/27/80/330142780.db2.gz OJMYHRDENYCLSI-IHRRRGAJSA-N 2 2 283.416 0.506 20 0 CCADLP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C)[NH+]1CCOCC1 ZINC000580463455 330142782 /nfs/dbraw/zinc/14/27/82/330142782.db2.gz OJMYHRDENYCLSI-IHRRRGAJSA-N 2 2 283.416 0.506 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000565784949 334597243 /nfs/dbraw/zinc/59/72/43/334597243.db2.gz XWDJCAZEHFNWPH-UHFFFAOYSA-N 2 2 290.371 0.151 20 0 CCADLP C[C@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)CS1 ZINC000566121122 334625343 /nfs/dbraw/zinc/62/53/43/334625343.db2.gz XXDWFXCBTDJGSH-PEBLQZBPSA-N 2 2 288.457 0.940 20 0 CCADLP CCCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175522431 335187345 /nfs/dbraw/zinc/18/73/45/335187345.db2.gz JKOQQSVELONAFY-UHFFFAOYSA-N 2 2 256.394 0.722 20 0 CCADLP CC(C)[C@H](CNC(=O)Cn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000576396413 335198288 /nfs/dbraw/zinc/19/82/88/335198288.db2.gz XTFSTOKISXAXIC-ZDUSSCGKSA-N 2 2 280.372 0.356 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000576475894 335209103 /nfs/dbraw/zinc/20/91/03/335209103.db2.gz PDHCJFWVBXGSCQ-UONOGXRCSA-N 2 2 294.395 0.388 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000576475894 335209104 /nfs/dbraw/zinc/20/91/04/335209104.db2.gz PDHCJFWVBXGSCQ-UONOGXRCSA-N 2 2 294.395 0.388 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC2=CCCCC2)[C@H](C[NH3+])C1 ZINC000576966222 335271260 /nfs/dbraw/zinc/27/12/60/335271260.db2.gz PRRFBWUCMSGLAK-CYBMUJFWSA-N 2 2 266.389 0.771 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000577040240 335287789 /nfs/dbraw/zinc/28/77/89/335287789.db2.gz SXEAWAHECNJMLF-STQMWFEESA-N 2 2 291.399 0.934 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000577040240 335287790 /nfs/dbraw/zinc/28/77/90/335287790.db2.gz SXEAWAHECNJMLF-STQMWFEESA-N 2 2 291.399 0.934 20 0 CCADLP CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000577062469 335293763 /nfs/dbraw/zinc/29/37/63/335293763.db2.gz JOSMCIGLPJHVEL-OCCSQVGLSA-N 2 2 253.390 0.977 20 0 CCADLP CCCNC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000577062469 335293765 /nfs/dbraw/zinc/29/37/65/335293765.db2.gz JOSMCIGLPJHVEL-OCCSQVGLSA-N 2 2 253.390 0.977 20 0 CCADLP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1=O ZINC000577094946 335299239 /nfs/dbraw/zinc/29/92/39/335299239.db2.gz BDMZWHAFESSYAS-RSQMQNDGSA-N 2 2 293.411 0.352 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCSCC1 ZINC000380073692 335313344 /nfs/dbraw/zinc/31/33/44/335313344.db2.gz QUDYKUORJDPDCT-GFCCVEGCSA-N 2 2 262.419 0.364 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCSCC1 ZINC000380073692 335313346 /nfs/dbraw/zinc/31/33/46/335313346.db2.gz QUDYKUORJDPDCT-GFCCVEGCSA-N 2 2 262.419 0.364 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCSCC1 ZINC000380073692 335313347 /nfs/dbraw/zinc/31/33/47/335313347.db2.gz QUDYKUORJDPDCT-GFCCVEGCSA-N 2 2 262.419 0.364 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCSCC1 ZINC000380073692 335313349 /nfs/dbraw/zinc/31/33/49/335313349.db2.gz QUDYKUORJDPDCT-GFCCVEGCSA-N 2 2 262.419 0.364 20 0 CCADLP C[C@H](CC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)n1cc[nH+]c1 ZINC000580655140 335313372 /nfs/dbraw/zinc/31/33/72/335313372.db2.gz LCSUBAUZKOLYOW-IJLUTSLNSA-N 2 2 250.346 0.948 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000577230478 335327247 /nfs/dbraw/zinc/32/72/47/335327247.db2.gz ONOMXZBSQTUMOS-GHMZBOCLSA-N 2 2 262.357 0.941 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000577230478 335327248 /nfs/dbraw/zinc/32/72/48/335327248.db2.gz ONOMXZBSQTUMOS-GHMZBOCLSA-N 2 2 262.357 0.941 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000577230478 335327249 /nfs/dbraw/zinc/32/72/49/335327249.db2.gz ONOMXZBSQTUMOS-GHMZBOCLSA-N 2 2 262.357 0.941 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000577230478 335327250 /nfs/dbraw/zinc/32/72/50/335327250.db2.gz ONOMXZBSQTUMOS-GHMZBOCLSA-N 2 2 262.357 0.941 20 0 CCADLP C[NH+]1CCN(C(=O)CC[NH+]2CC(C(F)(F)F)C2)CC1 ZINC000577349226 335341457 /nfs/dbraw/zinc/34/14/57/335341457.db2.gz AXWPMTCQXVACOO-UHFFFAOYSA-N 2 2 279.306 0.645 20 0 CCADLP C[C@@H](O)[C@@H]1CCN(c2cc(N3CC([NH+](C)C)C3)nc[nH+]2)C1 ZINC000577469245 335355690 /nfs/dbraw/zinc/35/56/90/335355690.db2.gz NBQBFYBLWSQRBY-VXGBXAGGSA-N 2 2 291.399 0.434 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000577526341 335364913 /nfs/dbraw/zinc/36/49/13/335364913.db2.gz WYVVVYGBGZYEOJ-LBPRGKRZSA-N 2 2 273.340 0.850 20 0 CCADLP CC(=O)[C@@](C)(O)C[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000577646529 335385690 /nfs/dbraw/zinc/38/56/90/335385690.db2.gz NEROQFZIWJYLBG-ZDUSSCGKSA-N 2 2 272.389 0.151 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2CCOC[C@@H]2C)C[C@@H](C)O1 ZINC000578301001 335596656 /nfs/dbraw/zinc/59/66/56/335596656.db2.gz PBTBMOGZKIXNAS-NJVJYBDUSA-N 2 2 286.416 0.471 20 0 CCADLP c1cc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)c2c(c1)OCCO2 ZINC000578846823 335679993 /nfs/dbraw/zinc/67/99/93/335679993.db2.gz ULTZIQGTDSXYCP-ZDUSSCGKSA-N 2 2 278.352 0.926 20 0 CCADLP COCCOC[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000581066215 336002790 /nfs/dbraw/zinc/00/27/90/336002790.db2.gz BFESITKVWRXOFP-OUCADQQQSA-N 2 2 272.389 0.225 20 0 CCADLP COCCOC[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000581066215 336002791 /nfs/dbraw/zinc/00/27/91/336002791.db2.gz BFESITKVWRXOFP-OUCADQQQSA-N 2 2 272.389 0.225 20 0 CCADLP C[C@@H]([NH2+]C1CC1)C(=O)NCCCCn1cc[nH+]c1 ZINC000383376018 336108028 /nfs/dbraw/zinc/10/80/28/336108028.db2.gz OZNCUDQKLCFAMJ-LLVKDONJSA-N 2 2 250.346 0.920 20 0 CCADLP COc1cccc(CNC(=O)C[N@H+](C)C2CC([NH3+])C2)c1 ZINC000384716268 336129739 /nfs/dbraw/zinc/12/97/39/336129739.db2.gz FXEPWIRRCSDUJI-UHFFFAOYSA-N 2 2 277.368 0.733 20 0 CCADLP COc1cccc(CNC(=O)C[N@@H+](C)C2CC([NH3+])C2)c1 ZINC000384716268 336129740 /nfs/dbraw/zinc/12/97/40/336129740.db2.gz FXEPWIRRCSDUJI-UHFFFAOYSA-N 2 2 277.368 0.733 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCSCC[C@H]1C ZINC000385329592 336144231 /nfs/dbraw/zinc/14/42/31/336144231.db2.gz PCXDQGIJXQMMSL-CHWSQXEVSA-N 2 2 276.446 0.753 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCSCC[C@H]1C ZINC000385329592 336144232 /nfs/dbraw/zinc/14/42/32/336144232.db2.gz PCXDQGIJXQMMSL-CHWSQXEVSA-N 2 2 276.446 0.753 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCSCC[C@H]1C ZINC000385329592 336144233 /nfs/dbraw/zinc/14/42/33/336144233.db2.gz PCXDQGIJXQMMSL-CHWSQXEVSA-N 2 2 276.446 0.753 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCSCC[C@H]1C ZINC000385329592 336144234 /nfs/dbraw/zinc/14/42/34/336144234.db2.gz PCXDQGIJXQMMSL-CHWSQXEVSA-N 2 2 276.446 0.753 20 0 CCADLP Cc1nn(C)c(C)c1NC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000581887118 336160137 /nfs/dbraw/zinc/16/01/37/336160137.db2.gz FCCIHQMAENUULA-LLVKDONJSA-N 2 2 281.404 0.938 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000386222060 336168356 /nfs/dbraw/zinc/16/83/56/336168356.db2.gz ZDRYFAGKMUGPDD-MCIONIFRSA-N 2 2 258.406 0.903 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000386222060 336168357 /nfs/dbraw/zinc/16/83/57/336168357.db2.gz ZDRYFAGKMUGPDD-MCIONIFRSA-N 2 2 258.406 0.903 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](CCc2cn[nH]c2)CC1 ZINC000582011013 336191444 /nfs/dbraw/zinc/19/14/44/336191444.db2.gz MRCREPUJNHXYDP-UHFFFAOYSA-N 2 2 266.389 0.777 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000449140443 533796978 /nfs/dbraw/zinc/79/69/78/533796978.db2.gz NRPFGLKWUCUTRW-ZFWWWQNUSA-N 2 2 295.427 0.840 20 0 CCADLP COC(=O)Cn1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)nn1 ZINC000358347589 533810750 /nfs/dbraw/zinc/81/07/50/533810750.db2.gz UUROAEGRVFEVBC-GHMZBOCLSA-N 2 2 281.360 0.023 20 0 CCADLP COC(=O)Cn1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)nn1 ZINC000358347589 533810756 /nfs/dbraw/zinc/81/07/56/533810756.db2.gz UUROAEGRVFEVBC-GHMZBOCLSA-N 2 2 281.360 0.023 20 0 CCADLP C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000358152681 533895285 /nfs/dbraw/zinc/89/52/85/533895285.db2.gz HLAMHJFEPJHZBP-RBSFLKMASA-N 2 2 295.427 0.698 20 0 CCADLP COc1ccccc1C[NH+]1CCN(C(=O)NCC[NH3+])CC1 ZINC000418297673 534081639 /nfs/dbraw/zinc/08/16/39/534081639.db2.gz KSESBOWZPPUCSC-UHFFFAOYSA-N 2 2 292.383 0.481 20 0 CCADLP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2COCC[NH2+]2)c1 ZINC000423784853 534165183 /nfs/dbraw/zinc/16/51/83/534165183.db2.gz NFXSLDOKLJSUMD-CQSZACIVSA-N 2 2 277.368 0.984 20 0 CCADLP CC[C@](COC)([NH2+]CCn1cc[nH+]c1C)C(=O)OC ZINC000459554682 535869806 /nfs/dbraw/zinc/86/98/06/535869806.db2.gz GCGBHRNBOAUJDP-CYBMUJFWSA-N 2 2 269.345 0.749 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1)C(=O)OC ZINC000314283580 535961426 /nfs/dbraw/zinc/96/14/26/535961426.db2.gz NUNCEVPOBFTDIP-CORIIIEPSA-N 2 2 299.415 0.361 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1)C(=O)OC ZINC000314283580 535961432 /nfs/dbraw/zinc/96/14/32/535961432.db2.gz NUNCEVPOBFTDIP-CORIIIEPSA-N 2 2 299.415 0.361 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424192007 534501913 /nfs/dbraw/zinc/50/19/13/534501913.db2.gz OLGFJBDBQJGAEG-JTQLQIEISA-N 2 2 272.299 0.634 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157198986 521741010 /nfs/dbraw/zinc/74/10/10/521741010.db2.gz AOFQTGQROYLTKY-CYBMUJFWSA-N 2 2 296.415 0.782 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157198986 521741011 /nfs/dbraw/zinc/74/10/11/521741011.db2.gz AOFQTGQROYLTKY-CYBMUJFWSA-N 2 2 296.415 0.782 20 0 CCADLP Cc1[nH+]c2ccccc2n1CC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000423995248 534674866 /nfs/dbraw/zinc/67/48/66/534674866.db2.gz UUKDDPSZYVICLO-LBPRGKRZSA-N 2 2 288.351 0.449 20 0 CCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ncc[nH]1 ZINC000067696758 524015638 /nfs/dbraw/zinc/01/56/38/524015638.db2.gz KSSAPHAORNQRJR-GFCCVEGCSA-N 2 2 279.388 0.442 20 0 CCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ncc[nH]1 ZINC000067696758 524015642 /nfs/dbraw/zinc/01/56/42/524015642.db2.gz KSSAPHAORNQRJR-GFCCVEGCSA-N 2 2 279.388 0.442 20 0 CCADLP C[NH+](C)C(C)(C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364973565 524033118 /nfs/dbraw/zinc/03/31/18/524033118.db2.gz AUAOTYLUTINVAU-NSHDSACASA-N 2 2 264.373 0.902 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+](Cc2cccnc2)CC1)[C@H](C)[NH3+] ZINC000156630979 524125943 /nfs/dbraw/zinc/12/59/43/524125943.db2.gz HUHHPBLTVCKVFC-OLZOCXBDSA-N 2 2 276.384 0.709 20 0 CCADLP C[C@H]1C[N@H+](CCn2cc[nH+]c2)C[C@@]2(CCOC2)O1 ZINC000366581947 524604968 /nfs/dbraw/zinc/60/49/68/524604968.db2.gz BKFHQBNPBVJKTH-QWHCGFSZSA-N 2 2 251.330 0.763 20 0 CCADLP C[C@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@@]2(CCOC2)O1 ZINC000366581947 524604974 /nfs/dbraw/zinc/60/49/74/524604974.db2.gz BKFHQBNPBVJKTH-QWHCGFSZSA-N 2 2 251.330 0.763 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000353116621 524717800 /nfs/dbraw/zinc/71/78/00/524717800.db2.gz UDMMFOUBNCXRBN-NSHDSACASA-N 2 2 266.345 0.179 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000353116621 524717805 /nfs/dbraw/zinc/71/78/05/524717805.db2.gz UDMMFOUBNCXRBN-NSHDSACASA-N 2 2 266.345 0.179 20 0 CCADLP CC[N@@H+]1CCCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000665700290 545103830 /nfs/dbraw/zinc/10/38/30/545103830.db2.gz BDRNVZPPXPUKQW-UHFFFAOYSA-N 2 2 263.345 0.813 20 0 CCADLP CC[N@H+]1CCCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000665700290 545103831 /nfs/dbraw/zinc/10/38/31/545103831.db2.gz BDRNVZPPXPUKQW-UHFFFAOYSA-N 2 2 263.345 0.813 20 0 CCADLP C[N@@H+]1CCO[C@@H]2CCN(c3nc[nH+]c4c3OCCN4)C[C@@H]21 ZINC000665717752 545105184 /nfs/dbraw/zinc/10/51/84/545105184.db2.gz CITPIJXHVUNIJJ-WDEREUQCSA-N 2 2 291.355 0.190 20 0 CCADLP C[N@H+]1CCO[C@@H]2CCN(c3nc[nH+]c4c3OCCN4)C[C@@H]21 ZINC000665717752 545105185 /nfs/dbraw/zinc/10/51/85/545105185.db2.gz CITPIJXHVUNIJJ-WDEREUQCSA-N 2 2 291.355 0.190 20 0 CCADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[NH+](CC2CC2)CC1 ZINC000156180934 526490336 /nfs/dbraw/zinc/49/03/36/526490336.db2.gz RULHONDVWQCVMT-CQSZACIVSA-N 2 2 288.395 1.000 20 0 CCADLP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)cc1 ZINC000667035040 545137497 /nfs/dbraw/zinc/13/74/97/545137497.db2.gz LBTZXMQWOQOEDQ-INIZCTEOSA-N 3 2 293.411 0.705 20 0 CCADLP O=C(C[C@H]1CSCC[NH2+]1)NCCc1[nH]cc[nH+]1 ZINC000157816374 527179796 /nfs/dbraw/zinc/17/97/96/527179796.db2.gz JMBPLHLNIPXMGQ-VIFPVBQESA-N 2 2 254.359 0.164 20 0 CCADLP COCC(=O)NC1CC[NH+](Cc2c[nH+]c(C)n2C)CC1 ZINC000667532339 545149146 /nfs/dbraw/zinc/14/91/46/545149146.db2.gz JGFBMFZQMYUXAK-UHFFFAOYSA-N 2 2 280.372 0.456 20 0 CCADLP Cc1[nH+]cc(CN2CC[N@H+](CCO)[C@H](C)C2)n1C ZINC000668014207 545161060 /nfs/dbraw/zinc/16/10/60/545161060.db2.gz VBRKAGDIZCNQDQ-LLVKDONJSA-N 2 2 252.362 0.227 20 0 CCADLP Cc1[nH+]cc(CN2CC[N@@H+](CCO)[C@H](C)C2)n1C ZINC000668014207 545161061 /nfs/dbraw/zinc/16/10/61/545161061.db2.gz VBRKAGDIZCNQDQ-LLVKDONJSA-N 2 2 252.362 0.227 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)NC[C@@H]1CCCC[NH2+]1 ZINC000668163314 545165620 /nfs/dbraw/zinc/16/56/20/545165620.db2.gz AEWSMXWPIVZDJA-LBPRGKRZSA-N 2 2 265.361 0.715 20 0 CCADLP C[C@@H]1C[N@H+](CCO)CCN1Cc1c[nH+]c2n1CCC2 ZINC000668228307 545168487 /nfs/dbraw/zinc/16/84/87/545168487.db2.gz FRHYDUHKQJDJET-GFCCVEGCSA-N 2 2 264.373 0.328 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)CCN1Cc1c[nH+]c2n1CCC2 ZINC000668228307 545168488 /nfs/dbraw/zinc/16/84/88/545168488.db2.gz FRHYDUHKQJDJET-GFCCVEGCSA-N 2 2 264.373 0.328 20 0 CCADLP CC(C)OC1CC([NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000428068583 527879030 /nfs/dbraw/zinc/87/90/30/527879030.db2.gz BYDRVBQQTCCSIX-JXQTWKCFSA-N 2 2 283.416 0.872 20 0 CCADLP CC(C)OC1CC([NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000428068583 527879033 /nfs/dbraw/zinc/87/90/33/527879033.db2.gz BYDRVBQQTCCSIX-JXQTWKCFSA-N 2 2 283.416 0.872 20 0 CCADLP C[C@H]([C@H](C)NC(=O)NC[C@@H]1CCCC[NH2+]1)[NH+]1CCOCC1 ZINC000669463900 545209043 /nfs/dbraw/zinc/20/90/43/545209043.db2.gz AZMUYUCWEYCXBA-MJBXVCDLSA-N 2 2 298.431 0.537 20 0 CCADLP CCOC(=O)[C@H]1C[N@H+](CCn2cc[nH+]c2)CC12COC2 ZINC000451143021 528080427 /nfs/dbraw/zinc/08/04/27/528080427.db2.gz WVVVZQYEAGKVJO-GFCCVEGCSA-N 2 2 279.340 0.395 20 0 CCADLP CCOC(=O)[C@H]1C[N@@H+](CCn2cc[nH+]c2)CC12COC2 ZINC000451143021 528080429 /nfs/dbraw/zinc/08/04/29/528080429.db2.gz WVVVZQYEAGKVJO-GFCCVEGCSA-N 2 2 279.340 0.395 20 0 CCADLP C[C@H](NC(=O)N1CC[NH2+][C@H](C)[C@H]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000669538430 545213600 /nfs/dbraw/zinc/21/36/00/545213600.db2.gz PXZKAMNLEPHPQF-XQHKEYJVSA-N 2 2 284.404 0.097 20 0 CCADLP C[C@H](NC(=O)N1CC[NH2+][C@H](C)[C@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000669538430 545213601 /nfs/dbraw/zinc/21/36/01/545213601.db2.gz PXZKAMNLEPHPQF-XQHKEYJVSA-N 2 2 284.404 0.097 20 0 CCADLP CC[NH2+]CCCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000669542889 545214033 /nfs/dbraw/zinc/21/40/33/545214033.db2.gz QBNXXMWRBQRAQA-ZDUSSCGKSA-N 2 2 291.399 0.959 20 0 CCADLP CC[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])[C@H]1CCCO1 ZINC000669545141 545214230 /nfs/dbraw/zinc/21/42/30/545214230.db2.gz ZQPBWOWUWKHSKC-FRRDWIJNSA-N 2 2 284.404 0.228 20 0 CCADLP CC[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])[C@H]1CCCO1 ZINC000669545141 545214231 /nfs/dbraw/zinc/21/42/31/545214231.db2.gz ZQPBWOWUWKHSKC-FRRDWIJNSA-N 2 2 284.404 0.228 20 0 CCADLP CC[N@@H+]1CCN(CC[NH+]2CCO[C@H](C)C2)C[C@H]1C ZINC000669691556 545219297 /nfs/dbraw/zinc/21/92/97/545219297.db2.gz KTYOZPAAWSHIDQ-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP CC[N@H+]1CCN(CC[NH+]2CCO[C@H](C)C2)C[C@H]1C ZINC000669691556 545219298 /nfs/dbraw/zinc/21/92/98/545219298.db2.gz KTYOZPAAWSHIDQ-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP CC[NH+]1CCN(CC[N@@H+]2CCO[C@H](C)C2)C[C@H]1C ZINC000669691556 545219299 /nfs/dbraw/zinc/21/92/99/545219299.db2.gz KTYOZPAAWSHIDQ-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP CC[NH+]1CCN(CC[N@H+]2CCO[C@H](C)C2)C[C@H]1C ZINC000669691556 545219300 /nfs/dbraw/zinc/21/93/00/545219300.db2.gz KTYOZPAAWSHIDQ-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP CCC[C@H](OC)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000450038539 528339424 /nfs/dbraw/zinc/33/94/24/528339424.db2.gz AVHGPMLGQFUOEL-AWEZNQCLSA-N 2 2 285.432 0.944 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000423872942 528462102 /nfs/dbraw/zinc/46/21/02/528462102.db2.gz QRPZGCUXQXONHB-DOMZBBRYSA-N 2 2 293.415 0.753 20 0 CCADLP CCC[NH2+]CCNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000418219451 528495042 /nfs/dbraw/zinc/49/50/42/528495042.db2.gz RGKWMLINHWGWIL-CYBMUJFWSA-N 2 2 284.404 0.148 20 0 CCADLP CCC[NH2+]CCNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000418219451 528495047 /nfs/dbraw/zinc/49/50/47/528495047.db2.gz RGKWMLINHWGWIL-CYBMUJFWSA-N 2 2 284.404 0.148 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418433714 528511063 /nfs/dbraw/zinc/51/10/63/528511063.db2.gz DBTWAAPPGMYKTD-MCIONIFRSA-N 2 2 298.431 0.522 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418433714 528511068 /nfs/dbraw/zinc/51/10/68/528511068.db2.gz DBTWAAPPGMYKTD-MCIONIFRSA-N 2 2 298.431 0.522 20 0 CCADLP CCOC1CC([NH2+]C[C@H]2CCCC[N@@H+]2CCO)C1 ZINC000449398122 528512058 /nfs/dbraw/zinc/51/20/58/528512058.db2.gz WYTOPAOGWFXXLW-ROKHWSDSSA-N 2 2 256.390 0.990 20 0 CCADLP CCOC1CC([NH2+]C[C@H]2CCCC[N@H+]2CCO)C1 ZINC000449398122 528512066 /nfs/dbraw/zinc/51/20/66/528512066.db2.gz WYTOPAOGWFXXLW-ROKHWSDSSA-N 2 2 256.390 0.990 20 0 CCADLP CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000670788602 545239375 /nfs/dbraw/zinc/23/93/75/545239375.db2.gz GHZYSXXXMMFGQO-AWEZNQCLSA-N 2 2 288.351 0.785 20 0 CCADLP CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000670788602 545239376 /nfs/dbraw/zinc/23/93/76/545239376.db2.gz GHZYSXXXMMFGQO-AWEZNQCLSA-N 2 2 288.351 0.785 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670985713 545240933 /nfs/dbraw/zinc/24/09/33/545240933.db2.gz HXGRHEBSYDLLLN-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670985713 545240934 /nfs/dbraw/zinc/24/09/34/545240934.db2.gz HXGRHEBSYDLLLN-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP O=C1CCCN1CC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986792 545241376 /nfs/dbraw/zinc/24/13/76/545241376.db2.gz XVLKWSDCKIUOGE-OAHLLOKOSA-N 2 2 295.427 0.796 20 0 CCADLP O=C1CCCN1CC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986792 545241377 /nfs/dbraw/zinc/24/13/77/545241377.db2.gz XVLKWSDCKIUOGE-OAHLLOKOSA-N 2 2 295.427 0.796 20 0 CCADLP CC(C)n1c[nH+]cc1CN1CC[N@H+](CCO)[C@@H](C)C1 ZINC000425347029 528620082 /nfs/dbraw/zinc/62/00/82/528620082.db2.gz XAHCBFOAOUCGKZ-ZDUSSCGKSA-N 2 2 266.389 0.962 20 0 CCADLP CC(C)n1c[nH+]cc1CN1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000425347029 528620088 /nfs/dbraw/zinc/62/00/88/528620088.db2.gz XAHCBFOAOUCGKZ-ZDUSSCGKSA-N 2 2 266.389 0.962 20 0 CCADLP O=C(N1CCCC1)[C@]1(O)CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000671557160 545254075 /nfs/dbraw/zinc/25/40/75/545254075.db2.gz VBXWCEKVILTYMQ-HNNXBMFYSA-N 2 2 292.383 0.332 20 0 CCADLP O=C(N1CCCC1)[C@]1(O)CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000671557160 545254076 /nfs/dbraw/zinc/25/40/76/545254076.db2.gz VBXWCEKVILTYMQ-HNNXBMFYSA-N 2 2 292.383 0.332 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]Cc2nnnn2C2CC2)[C@@H]2CCC[C@H]21 ZINC000671752823 545259359 /nfs/dbraw/zinc/25/93/59/545259359.db2.gz YDEXWAAITRRRRG-RWMBFGLXSA-N 2 2 276.388 0.970 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]Cc2nnnn2C2CC2)[C@@H]2CCC[C@H]21 ZINC000671752823 545259360 /nfs/dbraw/zinc/25/93/60/545259360.db2.gz YDEXWAAITRRRRG-RWMBFGLXSA-N 2 2 276.388 0.970 20 0 CCADLP CCN1CCN(C(=O)/C=C/C[NH+](C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000492721684 529109168 /nfs/dbraw/zinc/10/91/68/529109168.db2.gz SPUGXDFUFJDRIH-GFUIURDCSA-N 2 2 291.399 0.733 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000423780773 529213647 /nfs/dbraw/zinc/21/36/47/529213647.db2.gz KBFDZRWZZZYDOL-SMDDNHRTSA-N 2 2 291.399 0.807 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)NCC2([NH3+])CCC2)CCO1 ZINC000418532688 529292487 /nfs/dbraw/zinc/29/24/87/529292487.db2.gz ZPOHYPQVFBWIAQ-LBPRGKRZSA-N 2 2 284.404 0.278 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)NCC2([NH3+])CCC2)CCO1 ZINC000418532688 529292489 /nfs/dbraw/zinc/29/24/89/529292489.db2.gz ZPOHYPQVFBWIAQ-LBPRGKRZSA-N 2 2 284.404 0.278 20 0 CCADLP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+](C)C ZINC000674289747 545303296 /nfs/dbraw/zinc/30/32/96/545303296.db2.gz QMVCRRIDPABYBV-QWHCGFSZSA-N 3 2 282.432 0.221 20 0 CCADLP C[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+](C)C ZINC000674289747 545303297 /nfs/dbraw/zinc/30/32/97/545303297.db2.gz QMVCRRIDPABYBV-QWHCGFSZSA-N 3 2 282.432 0.221 20 0 CCADLP CC(C)[C@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1[nH]cc[nH+]1 ZINC000517234709 535085579 /nfs/dbraw/zinc/08/55/79/535085579.db2.gz QJBWZAOYUKZNAO-JQWIXIFHSA-N 2 2 293.371 0.091 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(CC(N)=O)cc1 ZINC000674912516 545318646 /nfs/dbraw/zinc/31/86/46/545318646.db2.gz FXSQDNBLPVAZBH-FZMZJTMJSA-N 2 2 261.369 0.754 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(CC(N)=O)cc1 ZINC000674912516 545318647 /nfs/dbraw/zinc/31/86/47/545318647.db2.gz FXSQDNBLPVAZBH-FZMZJTMJSA-N 2 2 261.369 0.754 20 0 CCADLP CC[C@@H](C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)[NH+](C)C ZINC000344346809 535427691 /nfs/dbraw/zinc/42/76/91/535427691.db2.gz LOVDJBKXTVPCQY-CABZTGNLSA-N 2 2 250.346 0.723 20 0 CCADLP CC[C@@H](C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)[NH+](C)C ZINC000344346809 535427695 /nfs/dbraw/zinc/42/76/95/535427695.db2.gz LOVDJBKXTVPCQY-CABZTGNLSA-N 2 2 250.346 0.723 20 0 CCADLP COCC[N@@H+]1CCC[C@H](Nc2nc(C)[nH+]c(N(C)C)n2)C1 ZINC000676081293 545334741 /nfs/dbraw/zinc/33/47/41/545334741.db2.gz VWMRPVMVVKYEOY-LBPRGKRZSA-N 2 2 294.403 0.769 20 0 CCADLP COCC[N@H+]1CCC[C@H](Nc2nc(C)[nH+]c(N(C)C)n2)C1 ZINC000676081293 545334742 /nfs/dbraw/zinc/33/47/42/545334742.db2.gz VWMRPVMVVKYEOY-LBPRGKRZSA-N 2 2 294.403 0.769 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000676246608 545338735 /nfs/dbraw/zinc/33/87/35/545338735.db2.gz XLGHHFDIADHXKN-YPMHNXCESA-N 2 2 295.387 0.210 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676246608 545338736 /nfs/dbraw/zinc/33/87/36/545338736.db2.gz XLGHHFDIADHXKN-YPMHNXCESA-N 2 2 295.387 0.210 20 0 CCADLP C[NH+]1CCC(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000676389542 545342852 /nfs/dbraw/zinc/34/28/52/545342852.db2.gz MEJDNKWWEYJTNH-AWEZNQCLSA-N 2 2 281.400 0.261 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000357085098 535637284 /nfs/dbraw/zinc/63/72/84/535637284.db2.gz QIQPPLCRHHHQJU-ZNMIVQPWSA-N 3 2 294.443 0.080 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000357085098 535637288 /nfs/dbraw/zinc/63/72/88/535637288.db2.gz QIQPPLCRHHHQJU-ZNMIVQPWSA-N 3 2 294.443 0.080 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@](O)(C3CC3)C2)CC1 ZINC000370081704 535637609 /nfs/dbraw/zinc/63/76/09/535637609.db2.gz KAOHNDXNIGCSKR-XJKSGUPXSA-N 2 2 295.427 0.386 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@](O)(C3CC3)C2)CC1 ZINC000370081704 535637613 /nfs/dbraw/zinc/63/76/13/535637613.db2.gz KAOHNDXNIGCSKR-XJKSGUPXSA-N 2 2 295.427 0.386 20 0 CCADLP CC[N@@H+]1CCN(c2nc(C)[nH+]c(N(C)C)n2)C[C@H]1C ZINC000677153764 545358853 /nfs/dbraw/zinc/35/88/53/545358853.db2.gz UTKMXPTVOXESQK-SNVBAGLBSA-N 2 2 264.377 0.776 20 0 CCADLP CC[N@H+]1CCN(c2nc(C)[nH+]c(N(C)C)n2)C[C@H]1C ZINC000677153764 545358854 /nfs/dbraw/zinc/35/88/54/545358854.db2.gz UTKMXPTVOXESQK-SNVBAGLBSA-N 2 2 264.377 0.776 20 0 CCADLP CC[N@@H+]1CCN(CCC[NH+]2CCOCC2)C[C@@H]1C ZINC000677196831 545361021 /nfs/dbraw/zinc/36/10/21/545361021.db2.gz VDEAERSRRKHUPD-AWEZNQCLSA-N 2 2 255.406 0.735 20 0 CCADLP CC[N@H+]1CCN(CCC[NH+]2CCOCC2)C[C@@H]1C ZINC000677196831 545361022 /nfs/dbraw/zinc/36/10/22/545361022.db2.gz VDEAERSRRKHUPD-AWEZNQCLSA-N 2 2 255.406 0.735 20 0 CCADLP CCn1nccc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261590853 535868968 /nfs/dbraw/zinc/86/89/68/535868968.db2.gz LPUPDSKXXBHNEV-ZDUSSCGKSA-N 2 2 263.389 0.383 20 0 CCADLP C[NH+](C)CCOCCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000345970582 535901327 /nfs/dbraw/zinc/90/13/27/535901327.db2.gz XECTZAAGKMMNPW-UHFFFAOYSA-N 2 2 276.340 0.642 20 0 CCADLP c1[nH]nc2c1CC[NH+](CCC[N@@H+]1CCc3c[nH]nc3C1)C2 ZINC000677898810 545376212 /nfs/dbraw/zinc/37/62/12/545376212.db2.gz HRLJIOLBPWKOML-UHFFFAOYSA-N 2 2 286.383 0.939 20 0 CCADLP c1[nH]nc2c1CC[NH+](CCC[N@H+]1CCc3c[nH]nc3C1)C2 ZINC000677898810 545376213 /nfs/dbraw/zinc/37/62/13/545376213.db2.gz HRLJIOLBPWKOML-UHFFFAOYSA-N 2 2 286.383 0.939 20 0 CCADLP COC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000357237127 536656694 /nfs/dbraw/zinc/65/66/94/536656694.db2.gz GHMJCYSDMFRULG-CQSZACIVSA-N 2 2 293.367 0.010 20 0 CCADLP COC[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000262340707 536671807 /nfs/dbraw/zinc/67/18/07/536671807.db2.gz SSTQVAODNMSOOS-CQSZACIVSA-N 2 2 293.367 0.431 20 0 CCADLP COCCOc1cccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000515059645 536707180 /nfs/dbraw/zinc/70/71/80/536707180.db2.gz CNEMCEHUELVNTR-OAHLLOKOSA-N 2 2 293.411 0.787 20 0 CCADLP COCCOc1cccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000515059645 536707184 /nfs/dbraw/zinc/70/71/84/536707184.db2.gz CNEMCEHUELVNTR-OAHLLOKOSA-N 2 2 293.411 0.787 20 0 CCADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)[C@H](C)[NH+](C)C ZINC000681205732 545445299 /nfs/dbraw/zinc/44/52/99/545445299.db2.gz ABFUKMKHVUQWLL-STQMWFEESA-N 2 2 270.421 0.079 20 0 CCADLP CC[NH+]1CCN(CC(=O)Nc2cc[nH+]cc2N(C)C)CC1 ZINC000681358111 545451776 /nfs/dbraw/zinc/45/17/76/545451776.db2.gz PRFUVRUWXIPHGT-UHFFFAOYSA-N 2 2 291.399 0.146 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000681551542 545455874 /nfs/dbraw/zinc/45/58/74/545455874.db2.gz RHPARTDWUBNFFZ-VXGBXAGGSA-N 2 2 274.368 0.798 20 0 CCADLP CN(C)C(=O)C[NH+]1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000682027703 545470547 /nfs/dbraw/zinc/47/05/47/545470547.db2.gz PTRRFYNTRIGRON-UHFFFAOYSA-N 2 2 296.459 0.568 20 0 CCADLP COC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C1CCCC1 ZINC000682132768 545473322 /nfs/dbraw/zinc/47/33/22/545473322.db2.gz LDDYNGOMZNKBAW-AWEZNQCLSA-N 2 2 283.416 0.555 20 0 CCADLP COC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C1CCCC1 ZINC000682132769 545473501 /nfs/dbraw/zinc/47/35/01/545473501.db2.gz LDDYNGOMZNKBAW-CQSZACIVSA-N 2 2 283.416 0.555 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CCCOCC1 ZINC000682171522 545474545 /nfs/dbraw/zinc/47/45/45/545474545.db2.gz MPAVRNFYFRMRMK-CYBMUJFWSA-N 2 2 269.389 0.309 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CCCOCC1 ZINC000682171522 545474546 /nfs/dbraw/zinc/47/45/46/545474546.db2.gz MPAVRNFYFRMRMK-CYBMUJFWSA-N 2 2 269.389 0.309 20 0 CCADLP C[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000682171522 545474547 /nfs/dbraw/zinc/47/45/47/545474547.db2.gz MPAVRNFYFRMRMK-CYBMUJFWSA-N 2 2 269.389 0.309 20 0 CCADLP c1cn(-c2cc(N3CC[NH+]4CCC3CC4)ncn2)c[nH+]1 ZINC000682473954 545480160 /nfs/dbraw/zinc/48/01/60/545480160.db2.gz USIOUAGKLQSKCK-UHFFFAOYSA-N 2 2 270.340 0.947 20 0 CCADLP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682488274 545480307 /nfs/dbraw/zinc/48/03/07/545480307.db2.gz CHOARWLZLLXEII-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000682492654 545480479 /nfs/dbraw/zinc/48/04/79/545480479.db2.gz DGVVRVXMZXCAGG-NWDGAFQWSA-N 2 2 262.357 0.656 20 0 CCADLP C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000682492654 545480480 /nfs/dbraw/zinc/48/04/80/545480480.db2.gz DGVVRVXMZXCAGG-NWDGAFQWSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@@H](c1nnnn1C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000682523563 545482074 /nfs/dbraw/zinc/48/20/74/545482074.db2.gz WLDVXMOATNBDDT-WDEREUQCSA-N 2 2 261.333 0.805 20 0 CCADLP C[C@@H](c1nnnn1C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000682523563 545482075 /nfs/dbraw/zinc/48/20/75/545482075.db2.gz WLDVXMOATNBDDT-WDEREUQCSA-N 2 2 261.333 0.805 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCC(C)(C)O)C2)CC1 ZINC000683851674 545571182 /nfs/dbraw/zinc/57/11/82/545571182.db2.gz ZLSJSKBUHIGZQP-CYBMUJFWSA-N 2 2 297.443 0.822 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCC(C)(C)O)C2)CC1 ZINC000683851674 545571187 /nfs/dbraw/zinc/57/11/87/545571187.db2.gz ZLSJSKBUHIGZQP-CYBMUJFWSA-N 2 2 297.443 0.822 20 0 CCADLP C[C@@H](NC(=O)CCc1c[nH+]cn1C)[C@@H]1C[N@H+](C)CCO1 ZINC000684464321 545676444 /nfs/dbraw/zinc/67/64/44/545676444.db2.gz TWHPAWIXUOXMTM-YPMHNXCESA-N 2 2 280.372 0.188 20 0 CCADLP C[C@@H](NC(=O)CCc1c[nH+]cn1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000684464321 545676449 /nfs/dbraw/zinc/67/64/49/545676449.db2.gz TWHPAWIXUOXMTM-YPMHNXCESA-N 2 2 280.372 0.188 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC1OCCO1 ZINC000777709647 581131007 /nfs/dbraw/zinc/13/10/07/581131007.db2.gz PKMXUBUNWRLBMQ-FRRDWIJNSA-N 2 2 270.373 0.543 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC1OCCO1 ZINC000777709647 581131009 /nfs/dbraw/zinc/13/10/09/581131009.db2.gz PKMXUBUNWRLBMQ-FRRDWIJNSA-N 2 2 270.373 0.543 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000725897969 581177382 /nfs/dbraw/zinc/17/73/82/581177382.db2.gz CUPXSLSWKVKBAW-ZDUSSCGKSA-N 2 2 294.399 0.809 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000725897969 581177385 /nfs/dbraw/zinc/17/73/85/581177385.db2.gz CUPXSLSWKVKBAW-ZDUSSCGKSA-N 2 2 294.399 0.809 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000725897965 581177391 /nfs/dbraw/zinc/17/73/91/581177391.db2.gz CUPXSLSWKVKBAW-CYBMUJFWSA-N 2 2 294.399 0.809 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000725897965 581177392 /nfs/dbraw/zinc/17/73/92/581177392.db2.gz CUPXSLSWKVKBAW-CYBMUJFWSA-N 2 2 294.399 0.809 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+]2CCCC2)CC2(CCOCC2)O1 ZINC000790360399 581185075 /nfs/dbraw/zinc/18/50/75/581185075.db2.gz GZPGFMZLMOPNLG-CABCVRRESA-N 2 2 298.427 0.713 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)CC2(CCOCC2)O1 ZINC000790360399 581185077 /nfs/dbraw/zinc/18/50/77/581185077.db2.gz GZPGFMZLMOPNLG-CABCVRRESA-N 2 2 298.427 0.713 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000726255833 581233881 /nfs/dbraw/zinc/23/38/81/581233881.db2.gz MEJKGNQUCMWKNG-OLZOCXBDSA-N 2 2 295.387 0.292 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000726255833 581233882 /nfs/dbraw/zinc/23/38/82/581233882.db2.gz MEJKGNQUCMWKNG-OLZOCXBDSA-N 2 2 295.387 0.292 20 0 CCADLP Cc1cc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)n(C)n1 ZINC000793523045 581302537 /nfs/dbraw/zinc/30/25/37/581302537.db2.gz OYWLZBKOVPMSKF-QWHCGFSZSA-N 2 2 266.389 0.836 20 0 CCADLP Cc1cc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)n(C)n1 ZINC000793553491 581303187 /nfs/dbraw/zinc/30/31/87/581303187.db2.gz NCLOWBSBENPWFQ-DGCLKSJQSA-N 2 2 252.362 0.446 20 0 CCADLP Cc1cc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)n(C)n1 ZINC000793553491 581303188 /nfs/dbraw/zinc/30/31/88/581303188.db2.gz NCLOWBSBENPWFQ-DGCLKSJQSA-N 2 2 252.362 0.446 20 0 CCADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+]2CCCOCC2)C1 ZINC000783969358 581369098 /nfs/dbraw/zinc/36/90/98/581369098.db2.gz AAUOYYXLJSDFRI-LBPRGKRZSA-N 2 2 278.356 0.416 20 0 CCADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+]2CCCOCC2)C1 ZINC000783969358 581369100 /nfs/dbraw/zinc/36/91/00/581369100.db2.gz AAUOYYXLJSDFRI-LBPRGKRZSA-N 2 2 278.356 0.416 20 0 CCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1CC[NH+]1CCCC1 ZINC000796375183 581438760 /nfs/dbraw/zinc/43/87/60/581438760.db2.gz DXPFUIKPMGCIAI-LSDHHAIUSA-N 2 2 267.417 0.877 20 0 CCADLP C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000796378534 581439396 /nfs/dbraw/zinc/43/93/96/581439396.db2.gz RMWWINLZQBKMFD-OAGGEKHMSA-N 2 2 297.443 0.238 20 0 CCADLP C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000796378534 581439399 /nfs/dbraw/zinc/43/93/99/581439399.db2.gz RMWWINLZQBKMFD-OAGGEKHMSA-N 2 2 297.443 0.238 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C[C@@H](O)C[NH+]1CCCC1 ZINC000796378534 581439401 /nfs/dbraw/zinc/43/94/01/581439401.db2.gz RMWWINLZQBKMFD-OAGGEKHMSA-N 2 2 297.443 0.238 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@@]2(CCOC2)O1 ZINC000796560100 581443823 /nfs/dbraw/zinc/44/38/23/581443823.db2.gz MSEXGMKEVKFHQG-QLFBSQMISA-N 2 2 284.400 0.323 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@@]2(CCOC2)O1 ZINC000796560100 581443825 /nfs/dbraw/zinc/44/38/25/581443825.db2.gz MSEXGMKEVKFHQG-QLFBSQMISA-N 2 2 284.400 0.323 20 0 CCADLP C[NH+](C)C[C@](C)(O)CNC(=O)c1cccc2[nH+]ccn21 ZINC000752480455 581507240 /nfs/dbraw/zinc/50/72/40/581507240.db2.gz CDRFWQQEZCVCBP-CQSZACIVSA-N 2 2 276.340 0.377 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1=COCC1 ZINC000734129629 581548322 /nfs/dbraw/zinc/54/83/22/581548322.db2.gz ZFSRYIMNRONWMC-UHFFFAOYSA-N 2 2 281.400 0.775 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1=COCC1 ZINC000734129629 581548324 /nfs/dbraw/zinc/54/83/24/581548324.db2.gz ZFSRYIMNRONWMC-UHFFFAOYSA-N 2 2 281.400 0.775 20 0 CCADLP C[N@@H+]1CCC[C@H](N2CC[NH+](CCN3CCOC3=O)CC2)C1 ZINC000734486555 581565405 /nfs/dbraw/zinc/56/54/05/581565405.db2.gz GEDGFLJPHVGTSX-AWEZNQCLSA-N 2 2 296.415 0.150 20 0 CCADLP C[N@H+]1CCC[C@H](N2CC[NH+](CCN3CCOC3=O)CC2)C1 ZINC000734486555 581565409 /nfs/dbraw/zinc/56/54/09/581565409.db2.gz GEDGFLJPHVGTSX-AWEZNQCLSA-N 2 2 296.415 0.150 20 0 CCADLP CNC(=O)[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000729542759 581604079 /nfs/dbraw/zinc/60/40/79/581604079.db2.gz SGGOGOCGSZSZDU-OLZOCXBDSA-N 2 2 269.389 0.044 20 0 CCADLP CNC(=O)[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000729542759 581604083 /nfs/dbraw/zinc/60/40/83/581604083.db2.gz SGGOGOCGSZSZDU-OLZOCXBDSA-N 2 2 269.389 0.044 20 0 CCADLP OCC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccco1 ZINC000769219226 581677695 /nfs/dbraw/zinc/67/76/95/581677695.db2.gz ALLYOYZONISSIB-STQMWFEESA-N 2 2 268.357 0.749 20 0 CCADLP O=C(CC[NH+]1CCOCC1)NCCCNc1cccc[nH+]1 ZINC000736196875 581713534 /nfs/dbraw/zinc/71/35/34/581713534.db2.gz ZVUMIIDNTAERBN-UHFFFAOYSA-N 2 2 292.383 0.722 20 0 CCADLP CN(C)c1nc(N2CC[NH+](CC[S@](C)=O)CC2)cc[nH+]1 ZINC000771143524 581793525 /nfs/dbraw/zinc/79/35/25/581793525.db2.gz CWAFWNNPDHPFPY-FQEVSTJZSA-N 2 2 297.428 0.043 20 0 CCADLP C[NH+](C)C1(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CCC1 ZINC000771556777 581808417 /nfs/dbraw/zinc/80/84/17/581808417.db2.gz POJAYTCBIGOMDX-CYBMUJFWSA-N 2 2 281.400 0.404 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000736946729 581871504 /nfs/dbraw/zinc/87/15/04/581871504.db2.gz RCEVHEGIDXYMTM-UTUOFQBUSA-N 2 2 296.333 0.831 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000736946729 581871505 /nfs/dbraw/zinc/87/15/05/581871505.db2.gz RCEVHEGIDXYMTM-UTUOFQBUSA-N 2 2 296.333 0.831 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000746260157 581905836 /nfs/dbraw/zinc/90/58/36/581905836.db2.gz WUZVGZQAMLJMOB-AWEZNQCLSA-N 2 2 292.383 0.643 20 0 CCADLP OC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000762362133 581942156 /nfs/dbraw/zinc/94/21/56/581942156.db2.gz VEBPHRNHQZAVQP-QWHCGFSZSA-N 2 2 274.324 0.195 20 0 CCADLP OC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000762362133 581942159 /nfs/dbraw/zinc/94/21/59/581942159.db2.gz VEBPHRNHQZAVQP-QWHCGFSZSA-N 2 2 274.324 0.195 20 0 CCADLP C[C@@H](CC(N)=O)[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000749126608 581997443 /nfs/dbraw/zinc/99/74/43/581997443.db2.gz QPXFLORGLWCXRR-JTQLQIEISA-N 2 2 259.313 0.621 20 0 CCADLP CS(=O)(=O)NCC[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872656 617173802 /nfs/dbraw/zinc/17/38/02/617173802.db2.gz XWDPSTCYYXQPGF-LBPRGKRZSA-N 2 2 275.418 0.001 20 0 CCADLP CS(=O)(=O)NCC[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872656 617173805 /nfs/dbraw/zinc/17/38/05/617173805.db2.gz XWDPSTCYYXQPGF-LBPRGKRZSA-N 2 2 275.418 0.001 20 0 CCADLP CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000923303440 617176523 /nfs/dbraw/zinc/17/65/23/617176523.db2.gz MQWQOMZFTHDNQL-CYBMUJFWSA-N 2 2 289.445 0.532 20 0 CCADLP CS(=O)(=O)NC[C@H]1CCCC[N@H+]1CCC[NH2+]C1CC1 ZINC000923303440 617176525 /nfs/dbraw/zinc/17/65/25/617176525.db2.gz MQWQOMZFTHDNQL-CYBMUJFWSA-N 2 2 289.445 0.532 20 0 CCADLP C[C@@H]([NH3+])[C@H]([NH2+]CC1(CO)COC1)c1ccccc1 ZINC000925618952 617178422 /nfs/dbraw/zinc/17/84/22/617178422.db2.gz XGWTXUHASJOHGT-YPMHNXCESA-N 2 2 250.342 0.673 20 0 CCADLP CC(=O)OC[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000892794037 614225503 /nfs/dbraw/zinc/22/55/03/614225503.db2.gz QOLVKBGAVPQFSS-GXTWGEPZSA-N 2 2 299.415 0.470 20 0 CCADLP CC(=O)OC[C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000892794037 614225505 /nfs/dbraw/zinc/22/55/05/614225505.db2.gz QOLVKBGAVPQFSS-GXTWGEPZSA-N 2 2 299.415 0.470 20 0 CCADLP CC(C)N1CC[NH+](CCC(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000900937890 614359210 /nfs/dbraw/zinc/35/92/10/614359210.db2.gz LDYZFZSOCGZVSW-UHFFFAOYSA-N 2 2 296.459 0.613 20 0 CCADLP COc1ccc(OC)c2c1C[N@H+](CCOCC[NH3+])C[C@@H]2O ZINC000843357683 617276085 /nfs/dbraw/zinc/27/60/85/617276085.db2.gz NCUSPBGHPIEBQT-LBPRGKRZSA-N 2 2 296.367 0.528 20 0 CCADLP COc1ccc(OC)c2c1C[N@@H+](CCOCC[NH3+])C[C@@H]2O ZINC000843357683 617276086 /nfs/dbraw/zinc/27/60/86/617276086.db2.gz NCUSPBGHPIEBQT-LBPRGKRZSA-N 2 2 296.367 0.528 20 0 CCADLP COc1ccc([C@H]2CN(C(=O)C[NH+](C)C)CC[NH2+]2)cc1 ZINC000870141524 617281998 /nfs/dbraw/zinc/28/19/98/617281998.db2.gz ZVWCUCPYSMBHMJ-CQSZACIVSA-N 2 2 277.368 0.730 20 0 CCADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903506531 617299125 /nfs/dbraw/zinc/29/91/25/617299125.db2.gz ALWQYJWCVUIHHM-AEGPPILISA-N 2 2 294.443 0.364 20 0 CCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903506531 617299127 /nfs/dbraw/zinc/29/91/27/617299127.db2.gz ALWQYJWCVUIHHM-AEGPPILISA-N 2 2 294.443 0.364 20 0 CCADLP C(COC[C@@H]1CCOC1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925567585 613222769 /nfs/dbraw/zinc/22/27/69/613222769.db2.gz PTSCGHYLINVLEP-CHWSQXEVSA-N 2 2 254.374 0.914 20 0 CCADLP C(C[NH2+]C1CC1)CN1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000923321203 613224782 /nfs/dbraw/zinc/22/47/82/613224782.db2.gz ACJZFOAQVQIKJM-OAHLLOKOSA-N 2 2 267.417 0.925 20 0 CCADLP C/C(=C/C(=O)N(C)[C@H]1CCC[N@H+](C)C1)C[NH+]1CCOCC1 ZINC000900832461 613227718 /nfs/dbraw/zinc/22/77/18/613227718.db2.gz SHNUCRHMPMKGNX-SZGZABIGSA-N 2 2 295.427 0.818 20 0 CCADLP C/C(=C/C(=O)N(C)[C@H]1CCC[N@@H+](C)C1)C[NH+]1CCOCC1 ZINC000900832461 613227721 /nfs/dbraw/zinc/22/77/21/613227721.db2.gz SHNUCRHMPMKGNX-SZGZABIGSA-N 2 2 295.427 0.818 20 0 CCADLP C/C(=C/C(=O)N(C)CC[NH+]1CCCC1)C[NH+]1CCOCC1 ZINC000900560526 613228022 /nfs/dbraw/zinc/22/80/22/613228022.db2.gz LPJPCZCICMAWKP-SQFISAMPSA-N 2 2 295.427 0.819 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC[C@H]([NH2+][C@@H]2CCOC2)C1 ZINC000883369834 613233597 /nfs/dbraw/zinc/23/35/97/613233597.db2.gz AHPNCDWOCRUALU-LSDHHAIUSA-N 2 2 283.416 0.162 20 0 CCADLP C/C(=C\C(=O)NCCCC[NH+](C)C)C[NH+]1CCOCC1 ZINC000900690820 613256042 /nfs/dbraw/zinc/25/60/42/613256042.db2.gz SLVBEBMKJOGYKP-WYMLVPIESA-N 2 2 283.416 0.723 20 0 CCADLP C/C(=C\C(=O)N[C@H]1CCC[N@@H+](C)C1)C[NH+]1CCOCC1 ZINC000900588688 613259844 /nfs/dbraw/zinc/25/98/44/613259844.db2.gz GFISRRJBYXCCGG-UELRPHRMSA-N 2 2 281.400 0.475 20 0 CCADLP C/C(=C\C(=O)N[C@H]1CCC[N@H+](C)C1)C[NH+]1CCOCC1 ZINC000900588688 613259847 /nfs/dbraw/zinc/25/98/47/613259847.db2.gz GFISRRJBYXCCGG-UELRPHRMSA-N 2 2 281.400 0.475 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H]2C[C@@H]3COC[C@H]3O2)CC1 ZINC000930614674 613939208 /nfs/dbraw/zinc/93/92/08/613939208.db2.gz DFIUQAUJOKDJCT-QLFBSQMISA-N 2 2 298.427 0.615 20 0 CCADLP CC(C)[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC000939210167 613982088 /nfs/dbraw/zinc/98/20/88/613982088.db2.gz LRTNBERMTGMBPQ-JQWIXIFHSA-N 2 2 250.346 0.797 20 0 CCADLP CC(C)OC[C@@H](O)C[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000871971147 614029430 /nfs/dbraw/zinc/02/94/30/614029430.db2.gz HRHWDJGKVDKGRJ-KKUMJFAQSA-N 2 2 288.432 0.861 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC000819181771 614091155 /nfs/dbraw/zinc/09/11/55/614091155.db2.gz AVNSKTHQUUMTBK-ZDUSSCGKSA-N 2 2 276.446 0.989 20 0 CCADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC000819181771 614091157 /nfs/dbraw/zinc/09/11/57/614091157.db2.gz AVNSKTHQUUMTBK-ZDUSSCGKSA-N 2 2 276.446 0.989 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@H](O)COC(C)C)C1 ZINC000871978657 614099996 /nfs/dbraw/zinc/09/99/96/614099996.db2.gz XQKMUDSGRZMHSW-LSDHHAIUSA-N 2 2 288.432 0.719 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@H](O)COC(C)C)C1 ZINC000871978657 614099997 /nfs/dbraw/zinc/09/99/97/614099997.db2.gz XQKMUDSGRZMHSW-LSDHHAIUSA-N 2 2 288.432 0.719 20 0 CCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900788885 614162598 /nfs/dbraw/zinc/16/25/98/614162598.db2.gz XRBYFNKTYITNKB-LBPRGKRZSA-N 2 2 250.346 0.751 20 0 CCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900788885 614162601 /nfs/dbraw/zinc/16/26/01/614162601.db2.gz XRBYFNKTYITNKB-LBPRGKRZSA-N 2 2 250.346 0.751 20 0 CCADLP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)CN1CC[NH+](C)CC1 ZINC000886593543 614200547 /nfs/dbraw/zinc/20/05/47/614200547.db2.gz TWFYQAPRFZYURD-OAHLLOKOSA-N 2 2 296.459 0.423 20 0 CCADLP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)CN1CC[NH+](C)CC1 ZINC000886593543 614200549 /nfs/dbraw/zinc/20/05/49/614200549.db2.gz TWFYQAPRFZYURD-OAHLLOKOSA-N 2 2 296.459 0.423 20 0 CCADLP CC(C)(O)C[C@@H](O)C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000872200792 614201826 /nfs/dbraw/zinc/20/18/26/614201826.db2.gz NZVUEPVPNHUGCT-CHWSQXEVSA-N 2 2 256.390 0.582 20 0 CCADLP CC(C)(O)C[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000872200792 614201828 /nfs/dbraw/zinc/20/18/28/614201828.db2.gz NZVUEPVPNHUGCT-CHWSQXEVSA-N 2 2 256.390 0.582 20 0 CCADLP CC(C)C[C@@](C)(C[NH3+])NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876537101 614208008 /nfs/dbraw/zinc/20/80/08/614208008.db2.gz WWPSPBZXMBRTAX-RGDDUWESSA-N 2 2 283.416 0.755 20 0 CCADLP CC(C)[C@H](CNC(=[NH2+])N[C@@H]1C[C@H]1C)[NH+]1CCN(C)CC1 ZINC000864451794 614208257 /nfs/dbraw/zinc/20/82/57/614208257.db2.gz YNDUVFXBXPRWSW-MCIONIFRSA-N 2 2 281.448 0.781 20 0 CCADLP CC(C)C[C@H]([NH2+]Cc1c[nH]cn1)C(=O)NCC[NH+](C)C ZINC000894368500 614221208 /nfs/dbraw/zinc/22/12/08/614221208.db2.gz RPAGOAZLBFRLGS-ZDUSSCGKSA-N 2 2 281.404 0.592 20 0 CCADLP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000886592891 614225960 /nfs/dbraw/zinc/22/59/60/614225960.db2.gz DHTXAZXNEFSVHE-HNNXBMFYSA-N 2 2 297.443 0.897 20 0 CCADLP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000886592891 614225961 /nfs/dbraw/zinc/22/59/61/614225961.db2.gz DHTXAZXNEFSVHE-HNNXBMFYSA-N 2 2 297.443 0.897 20 0 CCADLP CC(C)[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cnn(C)c1 ZINC000886524179 614249733 /nfs/dbraw/zinc/24/97/33/614249733.db2.gz FPAUFCJNGJIXDL-STQMWFEESA-N 2 2 254.378 0.629 20 0 CCADLP CC(C)(C(=O)N1CC[C@@H]([NH2+]CCF)C1)c1c[nH+]c[nH]1 ZINC000970485054 614293335 /nfs/dbraw/zinc/29/33/35/614293335.db2.gz OLDLDJHRYRWDHX-SNVBAGLBSA-N 2 2 268.336 0.847 20 0 CCADLP CC(C)c1[nH+]c2c(n1C)CCN([C@H]1C[C@H]([NH3+])C[C@@H]1O)C2 ZINC000923323606 614323784 /nfs/dbraw/zinc/32/37/84/614323784.db2.gz VLYVALUKBPRGPH-BPNCWPANSA-N 2 2 278.400 0.752 20 0 CCADLP CC(C)N1CCC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1=O ZINC000931279757 614348936 /nfs/dbraw/zinc/34/89/36/614348936.db2.gz QMRLCKABTNSZJK-RFQIPJPRSA-N 2 2 265.401 0.878 20 0 CCADLP CC(C)N1CCC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1=O ZINC000931279757 614348939 /nfs/dbraw/zinc/34/89/39/614348939.db2.gz QMRLCKABTNSZJK-RFQIPJPRSA-N 2 2 265.401 0.878 20 0 CCADLP CC(C)N1CC[NH+](CCC(=O)NC(C)(C)C[NH+](C)C)CC1 ZINC000909559372 614359648 /nfs/dbraw/zinc/35/96/48/614359648.db2.gz HFXGUVMCZOCJOK-UHFFFAOYSA-N 2 2 298.475 0.859 20 0 CCADLP CCN(C(=O)/C=C(/C)C[NH+]1CCOCC1)[C@@H]1CC[N@H+](C)C1 ZINC000912306979 614559837 /nfs/dbraw/zinc/55/98/37/614559837.db2.gz HKUMWJXMTYARFZ-QKXCFHHRSA-N 2 2 295.427 0.818 20 0 CCADLP CCN(C(=O)/C=C(/C)C[NH+]1CCOCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000912306979 614559840 /nfs/dbraw/zinc/55/98/40/614559840.db2.gz HKUMWJXMTYARFZ-QKXCFHHRSA-N 2 2 295.427 0.818 20 0 CCADLP CCC(CC)[C@@H](C(=O)NC[C@H]1C[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000870970853 614577104 /nfs/dbraw/zinc/57/71/04/614577104.db2.gz MLZWKRDGDXJENT-QEJZJMRPSA-N 2 2 297.443 0.977 20 0 CCADLP CCC[N@H+](C[C@H](O)COC1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000923286926 614585441 /nfs/dbraw/zinc/58/54/41/614585441.db2.gz QUIBOEFVPVRTMB-KBPBESRZSA-N 2 2 286.416 0.617 20 0 CCADLP CCC[N@@H+](C[C@H](O)COC1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000923286926 614585444 /nfs/dbraw/zinc/58/54/44/614585444.db2.gz QUIBOEFVPVRTMB-KBPBESRZSA-N 2 2 286.416 0.617 20 0 CCADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1C[NH+](CC2CCC2)C1 ZINC000949830514 614635480 /nfs/dbraw/zinc/63/54/80/614635480.db2.gz PIBXKBNVNJLWEX-HNNXBMFYSA-N 2 2 295.427 0.650 20 0 CCADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1C[NH+](CC2CCC2)C1 ZINC000949830514 614635484 /nfs/dbraw/zinc/63/54/84/614635484.db2.gz PIBXKBNVNJLWEX-HNNXBMFYSA-N 2 2 295.427 0.650 20 0 CCADLP CC1(C)C[N@H+](C[C@@H](O)COC2CCOCC2)C[C@H]1[NH3+] ZINC000923430489 614671974 /nfs/dbraw/zinc/67/19/74/614671974.db2.gz LYJXDIAAVTUHAC-DGCLKSJQSA-N 2 2 272.389 0.212 20 0 CCADLP CC1(C)C[N@@H+](C[C@@H](O)COC2CCOCC2)C[C@H]1[NH3+] ZINC000923430489 614671975 /nfs/dbraw/zinc/67/19/75/614671975.db2.gz LYJXDIAAVTUHAC-DGCLKSJQSA-N 2 2 272.389 0.212 20 0 CCADLP CCN(C(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1)C1C[NH+](CCO)C1 ZINC000950089381 614696298 /nfs/dbraw/zinc/69/62/98/614696298.db2.gz BNQPFWGFZYSRTG-UONOGXRCSA-N 2 2 295.427 0.386 20 0 CCADLP CCN(C(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1)C1C[NH+](CCO)C1 ZINC000950089381 614696301 /nfs/dbraw/zinc/69/63/01/614696301.db2.gz BNQPFWGFZYSRTG-UONOGXRCSA-N 2 2 295.427 0.386 20 0 CCADLP CC1(C)C[NH2+]C[C@H]1C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000884196911 614708370 /nfs/dbraw/zinc/70/83/70/614708370.db2.gz FLUJIHFYCKZDGF-KGLIPLIRSA-N 2 2 295.427 0.555 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)NCc2c[nH+]cn2C)C1 ZINC000852344825 614752926 /nfs/dbraw/zinc/75/29/26/614752926.db2.gz ZRVAASKFYWCWPL-NSHDSACASA-N 2 2 265.361 0.704 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)NCc2c[nH+]cn2C)C1 ZINC000852344825 614752927 /nfs/dbraw/zinc/75/29/27/614752927.db2.gz ZRVAASKFYWCWPL-NSHDSACASA-N 2 2 265.361 0.704 20 0 CCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925842785 614808116 /nfs/dbraw/zinc/80/81/16/614808116.db2.gz NOEBZKMDTQJCIF-CQSZACIVSA-N 3 2 268.449 0.792 20 0 CCADLP CC1(C)OC[C@H](C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)O1 ZINC000852154780 614832922 /nfs/dbraw/zinc/83/29/22/614832922.db2.gz TYAWEGRMWLRKIR-AWEZNQCLSA-N 2 2 298.427 0.964 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+](CC1CC1)[C@@H](C(N)=O)C1CC1 ZINC000879487418 614849628 /nfs/dbraw/zinc/84/96/28/614849628.db2.gz WIZRHBQCIKBJHE-ZIAGYGMSSA-N 2 2 283.416 0.275 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](CC1CC1)[C@@H](C(N)=O)C1CC1 ZINC000879487418 614849630 /nfs/dbraw/zinc/84/96/30/614849630.db2.gz WIZRHBQCIKBJHE-ZIAGYGMSSA-N 2 2 283.416 0.275 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](CC1CC1)[C@@H](C(N)=O)C1CC1 ZINC000879487418 614849632 /nfs/dbraw/zinc/84/96/32/614849632.db2.gz WIZRHBQCIKBJHE-ZIAGYGMSSA-N 2 2 283.416 0.275 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](CC1CC1)[C@@H](C(N)=O)C1CC1 ZINC000879487418 614849634 /nfs/dbraw/zinc/84/96/34/614849634.db2.gz WIZRHBQCIKBJHE-ZIAGYGMSSA-N 2 2 283.416 0.275 20 0 CCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000816941007 614880296 /nfs/dbraw/zinc/88/02/96/614880296.db2.gz TUCBVETWEMXCIT-LLVKDONJSA-N 2 2 250.346 0.752 20 0 CCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000816941007 614880299 /nfs/dbraw/zinc/88/02/99/614880299.db2.gz TUCBVETWEMXCIT-LLVKDONJSA-N 2 2 250.346 0.752 20 0 CCADLP CC1([NH+]2CCC2)CCN(c2nc(N)nc(N)[nH+]2)CC1 ZINC000882962107 614912460 /nfs/dbraw/zinc/91/24/60/614912460.db2.gz HHDNDGNZGMAIQX-UHFFFAOYSA-N 2 2 263.349 0.101 20 0 CCADLP CCCONC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000854202667 614947942 /nfs/dbraw/zinc/94/79/42/614947942.db2.gz GCPXAMYUCJRDDA-UHFFFAOYSA-N 2 2 260.382 0.511 20 0 CCADLP CCCONC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000854202667 614947944 /nfs/dbraw/zinc/94/79/44/614947944.db2.gz GCPXAMYUCJRDDA-UHFFFAOYSA-N 2 2 260.382 0.511 20 0 CCADLP CC[NH+](CC)CCNC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000899904135 614994291 /nfs/dbraw/zinc/99/42/91/614994291.db2.gz HBFKMBMMQJRYBN-WYMLVPIESA-N 2 2 283.416 0.723 20 0 CCADLP CCNC(=O)N1CC[C@H]([NH2+][C@H]2CCC[NH2+][C@H]2C)C1 ZINC000925587782 615056605 /nfs/dbraw/zinc/05/66/05/615056605.db2.gz JTDBTIGTRPSECD-SRVKXCTJSA-N 2 2 254.378 0.520 20 0 CCADLP CC[N@H+](CCS(C)(=O)=O)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903755746 615059360 /nfs/dbraw/zinc/05/93/60/615059360.db2.gz LFXVLWCUYGLZDD-CHWSQXEVSA-N 2 2 290.429 0.122 20 0 CCADLP CC[N@@H+](CCS(C)(=O)=O)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903755746 615059361 /nfs/dbraw/zinc/05/93/61/615059361.db2.gz LFXVLWCUYGLZDD-CHWSQXEVSA-N 2 2 290.429 0.122 20 0 CCADLP CCN(OC)C(=O)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000848919770 615075717 /nfs/dbraw/zinc/07/57/17/615075717.db2.gz RRMOFAKEHYQPHA-ZDUSSCGKSA-N 2 2 285.388 0.239 20 0 CCADLP CCN(OC)C(=O)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000843430962 615075764 /nfs/dbraw/zinc/07/57/64/615075764.db2.gz SWKIHZHEEWSYQH-UHFFFAOYSA-N 2 2 257.378 0.859 20 0 CCADLP CC[NH2+]CCNC(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000911749991 615087112 /nfs/dbraw/zinc/08/71/12/615087112.db2.gz DAMXJMPCVPDULU-CHWSQXEVSA-N 2 2 271.405 0.602 20 0 CCADLP CC[NH2+]CCNC(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000911749991 615087113 /nfs/dbraw/zinc/08/71/13/615087113.db2.gz DAMXJMPCVPDULU-CHWSQXEVSA-N 2 2 271.405 0.602 20 0 CCADLP CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000984082507 615094040 /nfs/dbraw/zinc/09/40/40/615094040.db2.gz PIQXDYCRNOJOAV-JHJVBQTASA-N 2 2 276.384 0.950 20 0 CCADLP CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC000979310631 615111510 /nfs/dbraw/zinc/11/15/10/615111510.db2.gz QVEMITCUUSQCRH-WCQYABFASA-N 2 2 280.372 0.568 20 0 CCADLP CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC000979310631 615111512 /nfs/dbraw/zinc/11/15/12/615111512.db2.gz QVEMITCUUSQCRH-WCQYABFASA-N 2 2 280.372 0.568 20 0 CCADLP CC[N@@H+]1CCCN(C(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000910280096 615117951 /nfs/dbraw/zinc/11/79/51/615117951.db2.gz PXTMNDJHWFXBTC-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP CC[N@H+]1CCCN(C(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000910280096 615117953 /nfs/dbraw/zinc/11/79/53/615117953.db2.gz PXTMNDJHWFXBTC-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCO[C@H](C)CC2)CC1 ZINC000932351265 615150689 /nfs/dbraw/zinc/15/06/89/615150689.db2.gz TXLMWBATICIRSO-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCO[C@H](C)CC2)CC1 ZINC000932351265 615150690 /nfs/dbraw/zinc/15/06/90/615150690.db2.gz TXLMWBATICIRSO-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000923514706 615150746 /nfs/dbraw/zinc/15/07/46/615150746.db2.gz PMZQFPLVKUDJDQ-MGPQQGTHSA-N 3 2 282.432 0.066 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000923514706 615150747 /nfs/dbraw/zinc/15/07/47/615150747.db2.gz PMZQFPLVKUDJDQ-MGPQQGTHSA-N 3 2 282.432 0.066 20 0 CCADLP CC[N@@H+]1CCOC2(CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC000949536926 615163630 /nfs/dbraw/zinc/16/36/30/615163630.db2.gz RTDOUBVNNRXCTN-UHFFFAOYSA-N 2 2 292.383 0.596 20 0 CCADLP CC[N@H+]1CCOC2(CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC000949536926 615163631 /nfs/dbraw/zinc/16/36/31/615163631.db2.gz RTDOUBVNNRXCTN-UHFFFAOYSA-N 2 2 292.383 0.596 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000948089585 615282570 /nfs/dbraw/zinc/28/25/70/615282570.db2.gz CUHRHCWWMUMGQB-RYUDHWBXSA-N 2 2 250.346 0.872 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000948089585 615282572 /nfs/dbraw/zinc/28/25/72/615282572.db2.gz CUHRHCWWMUMGQB-RYUDHWBXSA-N 2 2 250.346 0.872 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000883118010 615320529 /nfs/dbraw/zinc/32/05/29/615320529.db2.gz MTEDGSVFNUNKHK-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000883118010 615320532 /nfs/dbraw/zinc/32/05/32/615320532.db2.gz MTEDGSVFNUNKHK-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]1C[NH+]1CCC([NH2+]CCOC)CC1 ZINC000903764302 615320759 /nfs/dbraw/zinc/32/07/59/615320759.db2.gz RCKUOIZTDMBAGL-GXTWGEPZSA-N 2 2 284.400 0.886 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCc1cc(N(C)C)cc[nH+]1 ZINC000925813707 615326436 /nfs/dbraw/zinc/32/64/36/615326436.db2.gz VTWQOCOWBHKSOO-UONOGXRCSA-N 2 2 292.383 0.531 20 0 CCADLP CCS(=O)(=O)NCCC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933736007 615344201 /nfs/dbraw/zinc/34/42/01/615344201.db2.gz QFIVVZVADYBZJL-QWHCGFSZSA-N 2 2 289.445 0.199 20 0 CCADLP CCS(=O)(=O)NCCC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933736007 615344202 /nfs/dbraw/zinc/34/42/02/615344202.db2.gz QFIVVZVADYBZJL-QWHCGFSZSA-N 2 2 289.445 0.199 20 0 CCADLP CCS(=O)(=O)NCCC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933736007 615344205 /nfs/dbraw/zinc/34/42/05/615344205.db2.gz QFIVVZVADYBZJL-QWHCGFSZSA-N 2 2 289.445 0.199 20 0 CCADLP CCS(=O)(=O)NCCC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933736007 615344206 /nfs/dbraw/zinc/34/42/06/615344206.db2.gz QFIVVZVADYBZJL-QWHCGFSZSA-N 2 2 289.445 0.199 20 0 CCADLP CCOC(=O)[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000932637866 615378694 /nfs/dbraw/zinc/37/86/94/615378694.db2.gz DMFSTVGZFLYVGL-QWHCGFSZSA-N 2 2 272.389 0.573 20 0 CCADLP CCOC(=O)[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000932637866 615378698 /nfs/dbraw/zinc/37/86/98/615378698.db2.gz DMFSTVGZFLYVGL-QWHCGFSZSA-N 2 2 272.389 0.573 20 0 CCADLP CCOC(=O)[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000932637866 615378699 /nfs/dbraw/zinc/37/86/99/615378699.db2.gz DMFSTVGZFLYVGL-QWHCGFSZSA-N 2 2 272.389 0.573 20 0 CCADLP CCOC(=O)[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000932637866 615378702 /nfs/dbraw/zinc/37/87/02/615378702.db2.gz DMFSTVGZFLYVGL-QWHCGFSZSA-N 2 2 272.389 0.573 20 0 CCADLP CC[C@@H](C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)[NH+](C)C ZINC000912391430 615380780 /nfs/dbraw/zinc/38/07/80/615380780.db2.gz OGZISVHVFKXZIP-XQQFMLRXSA-N 2 2 271.405 0.552 20 0 CCADLP CC[C@@H](C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)[NH+](C)C ZINC000912391430 615380782 /nfs/dbraw/zinc/38/07/82/615380782.db2.gz OGZISVHVFKXZIP-XQQFMLRXSA-N 2 2 271.405 0.552 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000914314720 615478518 /nfs/dbraw/zinc/47/85/18/615478518.db2.gz BQVFYHJTQKIMEY-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CCO[C@H](C[NH2+]C[C@H](O)C1(O)CCCC1)C[NH+](C)C ZINC000905579759 615483830 /nfs/dbraw/zinc/48/38/30/615483830.db2.gz KYHUPUDSZMMFJO-OLZOCXBDSA-N 2 2 274.405 0.209 20 0 CCADLP CCO[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)C[NH+](C)C ZINC000925836507 615484441 /nfs/dbraw/zinc/48/44/41/615484441.db2.gz BAOTUSLUWURDNB-MELADBBJSA-N 3 2 257.422 0.931 20 0 CCADLP CCO[C@H]1CC[NH+](CC(O)C[N@H+]2CC[C@H](OCC)C2)C1 ZINC000932969687 615489070 /nfs/dbraw/zinc/48/90/70/615489070.db2.gz OODBNBQDCNFKMT-GJZGRUSLSA-N 2 2 286.416 0.569 20 0 CCADLP CCO[C@H]1CC[NH+](CC(O)C[N@@H+]2CC[C@H](OCC)C2)C1 ZINC000932969687 615489073 /nfs/dbraw/zinc/48/90/73/615489073.db2.gz OODBNBQDCNFKMT-GJZGRUSLSA-N 2 2 286.416 0.569 20 0 CCADLP CCS(=O)(=O)CC[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000819320504 615539272 /nfs/dbraw/zinc/53/92/72/615539272.db2.gz CIDGBCUZEBGZML-VIFPVBQESA-N 2 2 257.359 0.291 20 0 CCADLP CC[C@@H]1CN(C(=O)NC[C@H]2CC[NH+]2C)CC[N@@H+]1CCOC ZINC000925406366 615559024 /nfs/dbraw/zinc/55/90/24/615559024.db2.gz MNOFBPAZQWBYOK-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@@H]1CN(C(=O)NC[C@H]2CC[NH+]2C)CC[N@H+]1CCOC ZINC000925406366 615559025 /nfs/dbraw/zinc/55/90/25/615559025.db2.gz MNOFBPAZQWBYOK-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+]2C)CC[NH+]1CCOC ZINC000925406366 615559026 /nfs/dbraw/zinc/55/90/26/615559026.db2.gz MNOFBPAZQWBYOK-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C)CC[NH+]1CCOC ZINC000925406366 615559027 /nfs/dbraw/zinc/55/90/27/615559027.db2.gz MNOFBPAZQWBYOK-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@H](C(=O)NCC1CC[NH2+]CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911671976 615565059 /nfs/dbraw/zinc/56/50/59/615565059.db2.gz HHGNMUILURVDQI-HUUCEWRRSA-N 2 2 297.443 0.992 20 0 CCADLP CC[C@H](C(=O)NCC1CC[NH2+]CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000911671976 615565060 /nfs/dbraw/zinc/56/50/60/615565060.db2.gz HHGNMUILURVDQI-HUUCEWRRSA-N 2 2 297.443 0.992 20 0 CCADLP CCn1cccc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)c1=O ZINC000925659650 615601257 /nfs/dbraw/zinc/60/12/57/615601257.db2.gz ZBSOZPNRZAVFII-XPABHHOTSA-N 2 2 273.380 0.954 20 0 CCADLP CCn1nc(C)c([C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)n1 ZINC000924988431 615668739 /nfs/dbraw/zinc/66/87/39/615668739.db2.gz AYDKAEFILHVAGK-QWHCGFSZSA-N 2 2 294.447 0.893 20 0 CCADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905122047 615711330 /nfs/dbraw/zinc/71/13/30/615711330.db2.gz JUDXAFDFYJFDHH-OLZOCXBDSA-N 2 2 256.390 0.726 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[NH+](CC)CC1 ZINC000925570414 615716185 /nfs/dbraw/zinc/71/61/85/615716185.db2.gz FAWOONZIIOXTGK-CQSZACIVSA-N 2 2 298.431 0.444 20 0 CCADLP CCn1nccc1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000926083590 615727074 /nfs/dbraw/zinc/72/70/74/615727074.db2.gz FMJVSEYFFYDSMY-UHFFFAOYSA-N 2 2 280.376 0.448 20 0 CCADLP CC[C@H](CO)Nc1cc(NCC[N@@H+]2CC[C@H](O)C2)nc[nH+]1 ZINC000894833668 615738864 /nfs/dbraw/zinc/73/88/64/615738864.db2.gz WYVLJPDDYALGHY-NEPJUHHUSA-N 2 2 295.387 0.138 20 0 CCADLP CC[C@H](CO)Nc1cc(NCC[N@H+]2CC[C@H](O)C2)nc[nH+]1 ZINC000894833668 615738867 /nfs/dbraw/zinc/73/88/67/615738867.db2.gz WYVLJPDDYALGHY-NEPJUHHUSA-N 2 2 295.387 0.138 20 0 CCADLP CN(C(=O)C[NH+]1CCCC1)C(C)(C)C[NH+]1CCOCC1 ZINC000823669794 615814503 /nfs/dbraw/zinc/81/45/03/615814503.db2.gz PCFNVTXPJZUOPM-UHFFFAOYSA-N 2 2 283.416 0.651 20 0 CCADLP CCc1noc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000902697397 615828693 /nfs/dbraw/zinc/82/86/93/615828693.db2.gz XKBSVEBHYCYESN-UHFFFAOYSA-N 2 2 283.376 0.245 20 0 CCADLP CCc1noc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000902697397 615828696 /nfs/dbraw/zinc/82/86/96/615828696.db2.gz XKBSVEBHYCYESN-UHFFFAOYSA-N 2 2 283.376 0.245 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1 ZINC000877958575 615863992 /nfs/dbraw/zinc/86/39/92/615863992.db2.gz MJHICZMGQKZDGN-KKUMJFAQSA-N 2 2 295.427 0.650 20 0 CCADLP Cn1c[nH+]cc1Cc1noc(C2(C[NH+](C)C)CC2)n1 ZINC000923964463 615873406 /nfs/dbraw/zinc/87/34/06/615873406.db2.gz ZPQZUURJXRACRJ-UHFFFAOYSA-N 2 2 261.329 0.987 20 0 CCADLP CC[C@H]1C(=O)NCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903728720 615876658 /nfs/dbraw/zinc/87/66/58/615876658.db2.gz FJLQEZXAEFOUGQ-OLZOCXBDSA-N 2 2 281.400 0.356 20 0 CCADLP CC[C@H]1C(=O)NCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903728720 615876660 /nfs/dbraw/zinc/87/66/60/615876660.db2.gz FJLQEZXAEFOUGQ-OLZOCXBDSA-N 2 2 281.400 0.356 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)/C=C\c1ccncn1 ZINC000855415326 615878431 /nfs/dbraw/zinc/87/84/31/615878431.db2.gz VEQFSWDWSFPFQD-WAYWQWQTSA-N 2 2 291.399 0.490 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)/C=C\c1ccncn1 ZINC000855415326 615878433 /nfs/dbraw/zinc/87/84/33/615878433.db2.gz VEQFSWDWSFPFQD-WAYWQWQTSA-N 2 2 291.399 0.490 20 0 CCADLP C[NH+](C)CCN(Cc1ccco1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000866491547 615896740 /nfs/dbraw/zinc/89/67/40/615896740.db2.gz UXOXZQCVGRXOJP-ZDUSSCGKSA-N 2 2 292.339 0.627 20 0 CCADLP CC[C@@H](C(=O)NCC[NH2+]C1CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000911755707 615917911 /nfs/dbraw/zinc/91/79/11/615917911.db2.gz VFXIQHUGSJGVFV-KBPBESRZSA-N 2 2 283.416 0.744 20 0 CCADLP CC[C@@H](C(=O)NCC[NH2+]C1CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000911755707 615917913 /nfs/dbraw/zinc/91/79/13/615917913.db2.gz VFXIQHUGSJGVFV-KBPBESRZSA-N 2 2 283.416 0.744 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1CCC[NH+]1C ZINC000875151580 615925442 /nfs/dbraw/zinc/92/54/42/615925442.db2.gz KERFXNIIAKFUSL-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1CCC[NH+]1C ZINC000875151580 615925443 /nfs/dbraw/zinc/92/54/43/615925443.db2.gz KERFXNIIAKFUSL-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000875151580 615925445 /nfs/dbraw/zinc/92/54/45/615925445.db2.gz KERFXNIIAKFUSL-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000875151580 615925446 /nfs/dbraw/zinc/92/54/46/615925446.db2.gz KERFXNIIAKFUSL-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865161655 615926265 /nfs/dbraw/zinc/92/62/65/615926265.db2.gz OJUMFVWGZBLTMK-JQWIXIFHSA-N 2 2 266.345 0.386 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000877432173 615927366 /nfs/dbraw/zinc/92/73/66/615927366.db2.gz BDOOYHBQKDSGGN-STQMWFEESA-N 2 2 269.389 0.356 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000877432173 615927368 /nfs/dbraw/zinc/92/73/68/615927368.db2.gz BDOOYHBQKDSGGN-STQMWFEESA-N 2 2 269.389 0.356 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@]1(CC)CCC[NH2+]1 ZINC000877433945 615927995 /nfs/dbraw/zinc/92/79/95/615927995.db2.gz KROYXHMTEMWVGX-ZFWWWQNUSA-N 2 2 283.416 0.746 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@]1(CC)CCC[NH2+]1 ZINC000877433945 615927997 /nfs/dbraw/zinc/92/79/97/615927997.db2.gz KROYXHMTEMWVGX-ZFWWWQNUSA-N 2 2 283.416 0.746 20 0 CCADLP C[NH+](C)C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH+](C)C ZINC000870018007 615928961 /nfs/dbraw/zinc/92/89/61/615928961.db2.gz KQNOHPGKTRAPGT-ZIAGYGMSSA-N 3 2 293.415 0.081 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925609875 615944735 /nfs/dbraw/zinc/94/47/35/615944735.db2.gz WWBIJSVPYZTWPN-ILXRZTDVSA-N 3 2 269.433 0.667 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccnc(-c3nn[nH]n3)c2)C1 ZINC000825859542 615946501 /nfs/dbraw/zinc/94/65/01/615946501.db2.gz GOJONICOIDPCKQ-GFCCVEGCSA-N 2 2 287.371 0.645 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccnc(-c3nn[nH]n3)c2)C1 ZINC000825859542 615946502 /nfs/dbraw/zinc/94/65/02/615946502.db2.gz GOJONICOIDPCKQ-GFCCVEGCSA-N 2 2 287.371 0.645 20 0 CCADLP C[NH+](C)[C@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000799168976 615992665 /nfs/dbraw/zinc/99/26/65/615992665.db2.gz TVUMMLCYEXXRGQ-WDEREUQCSA-N 2 2 253.346 0.208 20 0 CCADLP C[NH+](C)[C@H]1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000799168976 615992666 /nfs/dbraw/zinc/99/26/66/615992666.db2.gz TVUMMLCYEXXRGQ-WDEREUQCSA-N 2 2 253.346 0.208 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H]3CC4(CC4)C(=O)O3)C[C@H]21 ZINC000931277993 615997991 /nfs/dbraw/zinc/99/79/91/615997991.db2.gz VGCAXHAIZHEZOS-NNYUYHANSA-N 2 2 250.342 0.574 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CC4(CC4)C(=O)O3)C[C@H]21 ZINC000931277993 615997992 /nfs/dbraw/zinc/99/79/92/615997992.db2.gz VGCAXHAIZHEZOS-NNYUYHANSA-N 2 2 250.342 0.574 20 0 CCADLP CN(C)c1cc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)nc[nH+]1 ZINC000892143702 616010635 /nfs/dbraw/zinc/01/06/35/616010635.db2.gz LOKZRJLUHUPXDN-NEPJUHHUSA-N 2 2 277.372 0.818 20 0 CCADLP CN(C)c1cc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)nc[nH+]1 ZINC000892143702 616010637 /nfs/dbraw/zinc/01/06/37/616010637.db2.gz LOKZRJLUHUPXDN-NEPJUHHUSA-N 2 2 277.372 0.818 20 0 CCADLP CN(C)c1cc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)[nH+]cn1 ZINC000892143702 616010638 /nfs/dbraw/zinc/01/06/38/616010638.db2.gz LOKZRJLUHUPXDN-NEPJUHHUSA-N 2 2 277.372 0.818 20 0 CCADLP CN(C)c1cc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)[nH+]cn1 ZINC000892143702 616010640 /nfs/dbraw/zinc/01/06/40/616010640.db2.gz LOKZRJLUHUPXDN-NEPJUHHUSA-N 2 2 277.372 0.818 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)C23CC[NH+](CC2)C3)n1C ZINC000900683279 616035914 /nfs/dbraw/zinc/03/59/14/616035914.db2.gz YMPZWYHGMOICLO-UHFFFAOYSA-N 2 2 277.372 0.198 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCC1 ZINC000899970895 616044068 /nfs/dbraw/zinc/04/40/68/616044068.db2.gz YNYLJDBGZDCXCB-HNNXBMFYSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCC1 ZINC000899970895 616044069 /nfs/dbraw/zinc/04/40/69/616044069.db2.gz YNYLJDBGZDCXCB-HNNXBMFYSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000929656832 616075818 /nfs/dbraw/zinc/07/58/18/616075818.db2.gz IHNPLUSUWDASCY-CQSZACIVSA-N 2 2 272.389 0.180 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000929656832 616075819 /nfs/dbraw/zinc/07/58/19/616075819.db2.gz IHNPLUSUWDASCY-CQSZACIVSA-N 2 2 272.389 0.180 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@H](O)c1ccccn1)C1CC1 ZINC000843096764 616131774 /nfs/dbraw/zinc/13/17/74/616131774.db2.gz UVTDPYMKBUMNMY-JSGCOSHPSA-N 2 2 265.357 0.160 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H](O)c1ccccn1)C1CC1 ZINC000843096764 616131775 /nfs/dbraw/zinc/13/17/75/616131775.db2.gz UVTDPYMKBUMNMY-JSGCOSHPSA-N 2 2 265.357 0.160 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]C[C@H](O)c1cccc(F)c1)C1CC1 ZINC000843068220 616149949 /nfs/dbraw/zinc/14/99/49/616149949.db2.gz FVTFEUBFRAQBMJ-CABCVRRESA-N 2 2 282.359 0.904 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@H](O)c1cccc(F)c1)C1CC1 ZINC000843068220 616149950 /nfs/dbraw/zinc/14/99/50/616149950.db2.gz FVTFEUBFRAQBMJ-CABCVRRESA-N 2 2 282.359 0.904 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@]12C[C@H]1COC21CCC1)C1CC1 ZINC000933385909 616150220 /nfs/dbraw/zinc/15/02/20/616150220.db2.gz LASMEGBIJQTJRV-NJZAAPMLSA-N 2 2 266.385 0.743 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@]12C[C@H]1COC21CCC1)C1CC1 ZINC000933385909 616150221 /nfs/dbraw/zinc/15/02/21/616150221.db2.gz LASMEGBIJQTJRV-NJZAAPMLSA-N 2 2 266.385 0.743 20 0 CCADLP CN1CC(=O)N(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)C1=O ZINC000923426462 616161393 /nfs/dbraw/zinc/16/13/93/616161393.db2.gz FABZZUGSTYSXSR-NSHDSACASA-N 2 2 280.372 0.145 20 0 CCADLP CN(C)C(=O)c1cccc(C[N@H+](C)C[C@H](O)C[NH3+])c1 ZINC000904358515 616167987 /nfs/dbraw/zinc/16/79/87/616167987.db2.gz OEHCTQZKCSUWIK-CYBMUJFWSA-N 2 2 265.357 0.140 20 0 CCADLP CN(C)C(=O)c1cccc(C[N@@H+](C)C[C@H](O)C[NH3+])c1 ZINC000904358515 616167989 /nfs/dbraw/zinc/16/79/89/616167989.db2.gz OEHCTQZKCSUWIK-CYBMUJFWSA-N 2 2 265.357 0.140 20 0 CCADLP CN(C)C(=O)c1cccc(C[N@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000904358516 616168089 /nfs/dbraw/zinc/16/80/89/616168089.db2.gz OEHCTQZKCSUWIK-ZDUSSCGKSA-N 2 2 265.357 0.140 20 0 CCADLP CN(C)C(=O)c1cccc(C[N@@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000904358516 616168090 /nfs/dbraw/zinc/16/80/90/616168090.db2.gz OEHCTQZKCSUWIK-ZDUSSCGKSA-N 2 2 265.357 0.140 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NOC3CCC3)C2)CC1 ZINC000836317973 616171948 /nfs/dbraw/zinc/17/19/48/616171948.db2.gz KVZIHVFOLHFPKY-GFCCVEGCSA-N 2 2 296.415 0.938 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NOC3CCC3)C2)CC1 ZINC000836317973 616171950 /nfs/dbraw/zinc/17/19/50/616171950.db2.gz KVZIHVFOLHFPKY-GFCCVEGCSA-N 2 2 296.415 0.938 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000928072716 616194458 /nfs/dbraw/zinc/19/44/58/616194458.db2.gz GWOMNCYJNJRVKE-YNEHKIRRSA-N 2 2 283.441 0.777 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000928072716 616194459 /nfs/dbraw/zinc/19/44/59/616194459.db2.gz GWOMNCYJNJRVKE-YNEHKIRRSA-N 2 2 283.441 0.777 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928072716 616194460 /nfs/dbraw/zinc/19/44/60/616194460.db2.gz GWOMNCYJNJRVKE-YNEHKIRRSA-N 2 2 283.441 0.777 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928072716 616194461 /nfs/dbraw/zinc/19/44/61/616194461.db2.gz GWOMNCYJNJRVKE-YNEHKIRRSA-N 2 2 283.441 0.777 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615548405 616209205 /nfs/dbraw/zinc/20/92/05/616209205.db2.gz OUIRZJAIDYONBC-KBPBESRZSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615548405 616209206 /nfs/dbraw/zinc/20/92/06/616209206.db2.gz OUIRZJAIDYONBC-KBPBESRZSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@@H+]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@@H](CO)C1 ZINC000912738451 616230700 /nfs/dbraw/zinc/23/07/00/616230700.db2.gz FOMUKAWXSFELQV-CYBMUJFWSA-N 2 2 274.324 0.083 20 0 CCADLP C[N@H+]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@@H](CO)C1 ZINC000912738451 616230701 /nfs/dbraw/zinc/23/07/01/616230701.db2.gz FOMUKAWXSFELQV-CYBMUJFWSA-N 2 2 274.324 0.083 20 0 CCADLP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925606749 616232791 /nfs/dbraw/zinc/23/27/91/616232791.db2.gz QESXVEMVHDUQML-CYBMUJFWSA-N 3 2 268.449 0.743 20 0 CCADLP Cn1c[nH+]cc1Cc1noc(C[C@@H]2CC[N@H+](C)C2)n1 ZINC000904032975 616271547 /nfs/dbraw/zinc/27/15/47/616271547.db2.gz AMBKLBGJEBMIHF-JTQLQIEISA-N 2 2 261.329 0.888 20 0 CCADLP Cn1c[nH+]cc1Cc1noc(C[C@@H]2CC[N@@H+](C)C2)n1 ZINC000904032975 616271550 /nfs/dbraw/zinc/27/15/50/616271550.db2.gz AMBKLBGJEBMIHF-JTQLQIEISA-N 2 2 261.329 0.888 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC[C@@H]21 ZINC000827287616 616323764 /nfs/dbraw/zinc/32/37/64/616323764.db2.gz LHQZVMSAYXDFMH-NFAWXSAZSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC[C@@H]21 ZINC000827287616 616323767 /nfs/dbraw/zinc/32/37/67/616323767.db2.gz LHQZVMSAYXDFMH-NFAWXSAZSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000854726624 616360002 /nfs/dbraw/zinc/36/00/02/616360002.db2.gz QKAMVLBMYZEGGU-KBPBESRZSA-N 2 2 281.400 0.261 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000854726624 616360008 /nfs/dbraw/zinc/36/00/08/616360008.db2.gz QKAMVLBMYZEGGU-KBPBESRZSA-N 2 2 281.400 0.261 20 0 CCADLP C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1 ZINC000913536907 616365398 /nfs/dbraw/zinc/36/53/98/616365398.db2.gz QFPPBPSPCLHXBB-BETUJISGSA-N 2 2 262.357 0.968 20 0 CCADLP C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1 ZINC000913536907 616365403 /nfs/dbraw/zinc/36/54/03/616365403.db2.gz QFPPBPSPCLHXBB-BETUJISGSA-N 2 2 262.357 0.968 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000900684709 616365439 /nfs/dbraw/zinc/36/54/39/616365439.db2.gz VLCDHIMKDXPSRD-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000900684709 616365443 /nfs/dbraw/zinc/36/54/43/616365443.db2.gz VLCDHIMKDXPSRD-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000876715486 616367047 /nfs/dbraw/zinc/36/70/47/616367047.db2.gz MXFFNLVSCCPEPK-HIFRSBDPSA-N 2 2 281.400 0.309 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000896257451 616386947 /nfs/dbraw/zinc/38/69/47/616386947.db2.gz FRPREJCCCOWKEK-CYBMUJFWSA-N 2 2 294.399 0.764 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000896257451 616386950 /nfs/dbraw/zinc/38/69/50/616386950.db2.gz FRPREJCCCOWKEK-CYBMUJFWSA-N 2 2 294.399 0.764 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000948091051 616392786 /nfs/dbraw/zinc/39/27/86/616392786.db2.gz SQIZXDFTDHVZQG-CHWSQXEVSA-N 2 2 280.372 0.499 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000948091051 616392789 /nfs/dbraw/zinc/39/27/89/616392789.db2.gz SQIZXDFTDHVZQG-CHWSQXEVSA-N 2 2 280.372 0.499 20 0 CCADLP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)N3CCOCC3)CC[C@@H]21 ZINC000879571315 616444676 /nfs/dbraw/zinc/44/46/76/616444676.db2.gz PKEVSEQVGHSXQU-KBPBESRZSA-N 2 2 281.400 0.261 20 0 CCADLP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)N3CCOCC3)CC[C@@H]21 ZINC000879571315 616444679 /nfs/dbraw/zinc/44/46/79/616444679.db2.gz PKEVSEQVGHSXQU-KBPBESRZSA-N 2 2 281.400 0.261 20 0 CCADLP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)N3CCOCC3)CC[C@@H]21 ZINC000879571315 616444681 /nfs/dbraw/zinc/44/46/81/616444681.db2.gz PKEVSEQVGHSXQU-KBPBESRZSA-N 2 2 281.400 0.261 20 0 CCADLP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)N3CCOCC3)CC[C@@H]21 ZINC000879571315 616444685 /nfs/dbraw/zinc/44/46/85/616444685.db2.gz PKEVSEQVGHSXQU-KBPBESRZSA-N 2 2 281.400 0.261 20 0 CCADLP COCC[NH2+]Cc1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871791407 616511597 /nfs/dbraw/zinc/51/15/97/616511597.db2.gz CCHMYEZMAPRBAG-FGWVZKOKSA-N 2 2 266.345 0.804 20 0 CCADLP C[NH+]1C[C@]2(C)C[NH+](CCN3CCOCC3)C[C@@]2(C)C1 ZINC000931312724 616513868 /nfs/dbraw/zinc/51/38/68/616513868.db2.gz YTXNIHCBEMTOJW-HUUCEWRRSA-N 2 2 267.417 0.592 20 0 CCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000870979496 616516291 /nfs/dbraw/zinc/51/62/91/616516291.db2.gz MRIZSFQIWVOVQV-UONOGXRCSA-N 2 2 275.352 0.278 20 0 CCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000870979496 616516295 /nfs/dbraw/zinc/51/62/95/616516295.db2.gz MRIZSFQIWVOVQV-UONOGXRCSA-N 2 2 275.352 0.278 20 0 CCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000877247009 616516682 /nfs/dbraw/zinc/51/66/82/616516682.db2.gz BWFGZCUXVRHAFF-SOUVJXGZSA-N 2 2 289.379 0.653 20 0 CCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000877247009 616516687 /nfs/dbraw/zinc/51/66/87/616516687.db2.gz BWFGZCUXVRHAFF-SOUVJXGZSA-N 2 2 289.379 0.653 20 0 CCADLP COCCOCC[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931286116 616541925 /nfs/dbraw/zinc/54/19/25/616541925.db2.gz BJMKEXJPZGTSJN-UHFFFAOYSA-N 2 2 286.416 0.836 20 0 CCADLP COCCOCC[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931286116 616541928 /nfs/dbraw/zinc/54/19/28/616541928.db2.gz BJMKEXJPZGTSJN-UHFFFAOYSA-N 2 2 286.416 0.836 20 0 CCADLP CNC(=O)C1([NH2+]C[C@H](O)C[N@H+](C)C(C)C)CCCC1 ZINC000851843351 616549879 /nfs/dbraw/zinc/54/98/79/616549879.db2.gz ATLXQPQTFRZCBT-LBPRGKRZSA-N 2 2 271.405 0.336 20 0 CCADLP CNC(=O)C1([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)CCCC1 ZINC000851843351 616549880 /nfs/dbraw/zinc/54/98/80/616549880.db2.gz ATLXQPQTFRZCBT-LBPRGKRZSA-N 2 2 271.405 0.336 20 0 CCADLP COC(=O)CC[C@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000872154239 616578351 /nfs/dbraw/zinc/57/83/51/616578351.db2.gz OTYPXWNFJIOWMF-CHWSQXEVSA-N 2 2 270.373 0.640 20 0 CCADLP COC(=O)CC[C@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000872154239 616578354 /nfs/dbraw/zinc/57/83/54/616578354.db2.gz OTYPXWNFJIOWMF-CHWSQXEVSA-N 2 2 270.373 0.640 20 0 CCADLP COCC[C@@H]([NH3+])C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000884202580 616636016 /nfs/dbraw/zinc/63/60/16/616636016.db2.gz CEOFXHVDWIGYTO-CQSZACIVSA-N 2 2 288.351 0.852 20 0 CCADLP COCC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000884316684 616678322 /nfs/dbraw/zinc/67/83/22/616678322.db2.gz AAKITRMNKLZXDR-NEPJUHHUSA-N 2 2 278.356 0.140 20 0 CCADLP COCC(COC)[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931284409 616724940 /nfs/dbraw/zinc/72/49/40/616724940.db2.gz RQFBXSAWGZJBAS-UHFFFAOYSA-N 2 2 286.416 0.835 20 0 CCADLP COCC(COC)[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931284409 616724946 /nfs/dbraw/zinc/72/49/46/616724946.db2.gz RQFBXSAWGZJBAS-UHFFFAOYSA-N 2 2 286.416 0.835 20 0 CCADLP COCC(COC)[NH+]1CCN(Cc2[nH]c(C)[nH+]c2C)CC1 ZINC000930708617 616727827 /nfs/dbraw/zinc/72/78/27/616727827.db2.gz RTGQJZCXWSJHCT-UHFFFAOYSA-N 2 2 296.415 0.806 20 0 CCADLP COC(=O)[C@](C)(O)C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880474274 616753172 /nfs/dbraw/zinc/75/31/72/616753172.db2.gz XBJYAFRSZURTEW-CQSZACIVSA-N 2 2 270.373 0.471 20 0 CCADLP CNC(=O)NC[C@H]1CCCC[N@@H+]1CCn1cc[nH+]c1C ZINC000879335277 616759221 /nfs/dbraw/zinc/75/92/21/616759221.db2.gz RGQAYVZOKLUTOE-CYBMUJFWSA-N 2 2 279.388 0.975 20 0 CCADLP CNC(=O)NC[C@H]1CCCC[N@H+]1CCn1cc[nH+]c1C ZINC000879335277 616759224 /nfs/dbraw/zinc/75/92/24/616759224.db2.gz RGQAYVZOKLUTOE-CYBMUJFWSA-N 2 2 279.388 0.975 20 0 CCADLP CNC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000805826056 616773313 /nfs/dbraw/zinc/77/33/13/616773313.db2.gz OKUMEGWVASAZTN-KBPBESRZSA-N 2 2 299.415 0.654 20 0 CCADLP CNC(=O)OC[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000805826056 616773318 /nfs/dbraw/zinc/77/33/18/616773318.db2.gz OKUMEGWVASAZTN-KBPBESRZSA-N 2 2 299.415 0.654 20 0 CCADLP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1noc(C)n1)C2 ZINC000903492864 616801521 /nfs/dbraw/zinc/80/15/21/616801521.db2.gz JNNUVMWHFRKQKF-CWSCBRNRSA-N 2 2 280.328 0.090 20 0 CCADLP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1noc(C)n1)C2 ZINC000903492864 616801524 /nfs/dbraw/zinc/80/15/24/616801524.db2.gz JNNUVMWHFRKQKF-CWSCBRNRSA-N 2 2 280.328 0.090 20 0 CCADLP COC(=O)c1cc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c[nH]1 ZINC000873228368 616849821 /nfs/dbraw/zinc/84/98/21/616849821.db2.gz DHBLCSPIDBEPLW-SMDDNHRTSA-N 2 2 263.341 0.843 20 0 CCADLP COC(=O)c1cc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)c[nH]1 ZINC000873228368 616849824 /nfs/dbraw/zinc/84/98/24/616849824.db2.gz DHBLCSPIDBEPLW-SMDDNHRTSA-N 2 2 263.341 0.843 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000828687018 616874436 /nfs/dbraw/zinc/87/44/36/616874436.db2.gz WZBBAWZDBNCDQB-UHFFFAOYSA-N 2 2 254.334 0.037 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC000828687018 616874439 /nfs/dbraw/zinc/87/44/39/616874439.db2.gz WZBBAWZDBNCDQB-UHFFFAOYSA-N 2 2 254.334 0.037 20 0 CCADLP COCCC[N@H+](C)CC[NH2+][C@@H]1CC[C@@H](C(=O)OC)C1 ZINC000886532909 616877792 /nfs/dbraw/zinc/87/77/92/616877792.db2.gz QVOFITLIOKPBCD-CHWSQXEVSA-N 2 2 272.389 0.886 20 0 CCADLP COCCC[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H](C(=O)OC)C1 ZINC000886532909 616877795 /nfs/dbraw/zinc/87/77/95/616877795.db2.gz QVOFITLIOKPBCD-CHWSQXEVSA-N 2 2 272.389 0.886 20 0 CCADLP CON(C)C(=O)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880258975 617022241 /nfs/dbraw/zinc/02/22/41/617022241.db2.gz FOQKTFIRKFGZTQ-LBPRGKRZSA-N 2 2 278.356 0.612 20 0 CCADLP CON(C)C(=O)C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880258975 617022243 /nfs/dbraw/zinc/02/22/43/617022243.db2.gz FOQKTFIRKFGZTQ-LBPRGKRZSA-N 2 2 278.356 0.612 20 0 CCADLP C[NH2+][C@@H](CC(C)C)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000884197155 617044133 /nfs/dbraw/zinc/04/41/33/617044133.db2.gz LVGJUBGOBBHLMN-CABCVRRESA-N 2 2 297.443 0.944 20 0 CCADLP CO[C@H](C)C[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000950088288 617065201 /nfs/dbraw/zinc/06/52/01/617065201.db2.gz AXQDUORMYXFUOK-ZIAGYGMSSA-N 2 2 285.432 0.752 20 0 CCADLP COC[C@H](C)NC(=[NH2+])NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000849049527 617074288 /nfs/dbraw/zinc/07/42/88/617074288.db2.gz RTFHVFHHKAHGHB-ZDEQEGDKSA-N 2 2 286.420 0.633 20 0 CCADLP COC[C@H](C)NC(=[NH2+])NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000849049527 617074290 /nfs/dbraw/zinc/07/42/90/617074290.db2.gz RTFHVFHHKAHGHB-ZDEQEGDKSA-N 2 2 286.420 0.633 20 0 CCADLP CON1CC[C@@H]([N@H+](C)C[C@H]2CCC[NH+](C)C2)C1=O ZINC000929702758 617092423 /nfs/dbraw/zinc/09/24/23/617092423.db2.gz PLQXPDLWVALTBY-NWDGAFQWSA-N 2 2 255.362 0.422 20 0 CCADLP CON1CC[C@@H]([N@@H+](C)C[C@H]2CCC[NH+](C)C2)C1=O ZINC000929702758 617092425 /nfs/dbraw/zinc/09/24/25/617092425.db2.gz PLQXPDLWVALTBY-NWDGAFQWSA-N 2 2 255.362 0.422 20 0 CCADLP CON1CC[C@@H]([NH+](C)C[C@H]2CCC[N@H+](C)C2)C1=O ZINC000929702758 617092427 /nfs/dbraw/zinc/09/24/27/617092427.db2.gz PLQXPDLWVALTBY-NWDGAFQWSA-N 2 2 255.362 0.422 20 0 CCADLP CON1CC[C@@H]([NH+](C)C[C@H]2CCC[N@@H+](C)C2)C1=O ZINC000929702758 617092429 /nfs/dbraw/zinc/09/24/29/617092429.db2.gz PLQXPDLWVALTBY-NWDGAFQWSA-N 2 2 255.362 0.422 20 0 CCADLP CON1CC[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1=O ZINC000905769580 617099841 /nfs/dbraw/zinc/09/98/41/617099841.db2.gz GMSWYRLLSIMPFJ-ZDUSSCGKSA-N 2 2 267.373 0.755 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H](C[NH2+]CC2CC2)C1 ZINC001027244412 625766259 /nfs/dbraw/zinc/76/62/59/625766259.db2.gz DNTYGLWLURTBET-ZDUSSCGKSA-N 2 2 262.357 0.731 20 0 CCADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@H](O)Cn1ccnn1)c1ccccc1 ZINC000925685060 625558575 /nfs/dbraw/zinc/55/85/75/625558575.db2.gz FHNGHXGFJKMJBU-UBHSHLNASA-N 2 2 275.356 0.317 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000892156382 622620683 /nfs/dbraw/zinc/62/06/83/622620683.db2.gz OJNCTWUYYFDEFC-SECBINFHSA-N 2 2 273.287 0.217 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]Cc2cccnc2)C1 ZINC001023158689 622931513 /nfs/dbraw/zinc/93/15/13/622931513.db2.gz CTKNVKJHZPKRNS-OKILXGFUSA-N 2 2 285.351 0.715 20 0 CCADLP Cc1nnc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)o1 ZINC001019772573 623906200 /nfs/dbraw/zinc/90/62/00/623906200.db2.gz KQFHOPIJZBDSQT-RYUDHWBXSA-N 2 2 293.371 0.020 20 0 CCADLP Cc1nnc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)o1 ZINC001019772573 623906208 /nfs/dbraw/zinc/90/62/08/623906208.db2.gz KQFHOPIJZBDSQT-RYUDHWBXSA-N 2 2 293.371 0.020 20 0 CCADLP FCCn1cc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cn1 ZINC000902448305 634388107 /nfs/dbraw/zinc/38/81/07/634388107.db2.gz YNJWTUFSJUMOOC-KGLIPLIRSA-N 2 2 282.363 0.709 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC000970105939 624605812 /nfs/dbraw/zinc/60/58/12/624605812.db2.gz XLUFLPJIWQEENB-NWDGAFQWSA-N 2 2 278.356 0.179 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]([NH2+]CC2CCC2)C1 ZINC001020819202 624606392 /nfs/dbraw/zinc/60/63/92/624606392.db2.gz SRVOCGFATZIDTP-HAQNSBGRSA-N 2 2 262.357 0.989 20 0 CCADLP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]([NH2+]Cc2cnsn2)C1 ZINC001021046838 624650164 /nfs/dbraw/zinc/65/01/64/624650164.db2.gz ZUWLOPAZHFJEBR-XYPYZODXSA-N 2 2 295.412 0.371 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001021128734 624664466 /nfs/dbraw/zinc/66/44/66/624664466.db2.gz SVYGNINPJHZXET-AVGNSLFASA-N 2 2 278.356 0.156 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCO ZINC001021394569 624717902 /nfs/dbraw/zinc/71/79/02/624717902.db2.gz NGIYVKLVCRRMOR-QXMXGUDHSA-N 2 2 292.383 0.446 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCO ZINC001021394569 624717909 /nfs/dbraw/zinc/71/79/09/624717909.db2.gz NGIYVKLVCRRMOR-QXMXGUDHSA-N 2 2 292.383 0.446 20 0 CCADLP Cn1nccc1C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000970857582 624771547 /nfs/dbraw/zinc/77/15/47/624771547.db2.gz CDEFYKGBXCIWEU-GFCCVEGCSA-N 2 2 288.355 0.007 20 0 CCADLP CNC(=S)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050254797 624804496 /nfs/dbraw/zinc/80/44/96/624804496.db2.gz YEYMMTASZWHNKF-UHFFFAOYSA-N 2 2 270.446 0.639 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]2C[N@H+](CCO)CC[C@H]21 ZINC001021704625 624813831 /nfs/dbraw/zinc/81/38/31/624813831.db2.gz UEJVMQCNHNPYNF-CHWSQXEVSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]2C[N@@H+](CCO)CC[C@H]21 ZINC001021704625 624813832 /nfs/dbraw/zinc/81/38/32/624813832.db2.gz UEJVMQCNHNPYNF-CHWSQXEVSA-N 2 2 292.383 0.257 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCC(C)(C)[NH3+] ZINC000891350890 624822377 /nfs/dbraw/zinc/82/23/77/624822377.db2.gz WTVGKRFPVQKISN-NSHDSACASA-N 2 2 272.393 0.134 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000891820353 624937221 /nfs/dbraw/zinc/93/72/21/624937221.db2.gz XZTHLLSUQCKTLS-MXWKQRLJSA-N 2 2 263.345 0.329 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000891896107 624987017 /nfs/dbraw/zinc/98/70/17/624987017.db2.gz SIOVAWALRCKZMP-KBPBESRZSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000891896107 624987020 /nfs/dbraw/zinc/98/70/20/624987020.db2.gz SIOVAWALRCKZMP-KBPBESRZSA-N 2 2 298.431 0.348 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC)C1 ZINC001022492166 625008508 /nfs/dbraw/zinc/00/85/08/625008508.db2.gz BZIIFXRGNFQLII-MJBXVCDLSA-N 2 2 283.416 0.744 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC)C1 ZINC001022492166 625008511 /nfs/dbraw/zinc/00/85/11/625008511.db2.gz BZIIFXRGNFQLII-MJBXVCDLSA-N 2 2 283.416 0.744 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[N@H+](CCCF)C1 ZINC001009206118 625778308 /nfs/dbraw/zinc/77/83/08/625778308.db2.gz DUOBWOXNNIQEKH-GFCCVEGCSA-N 2 2 282.363 0.903 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[N@@H+](CCCF)C1 ZINC001009206118 625778309 /nfs/dbraw/zinc/77/83/09/625778309.db2.gz DUOBWOXNNIQEKH-GFCCVEGCSA-N 2 2 282.363 0.903 20 0 CCADLP CCO[C@H]1CCC[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1 ZINC000902776995 634458822 /nfs/dbraw/zinc/45/88/22/634458822.db2.gz QJOSFQFAJPSLGN-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000977450561 625940460 /nfs/dbraw/zinc/94/04/60/625940460.db2.gz FTIZFKWCIHTPQZ-WCQYABFASA-N 2 2 294.399 0.170 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000977450561 625940466 /nfs/dbraw/zinc/94/04/66/625940466.db2.gz FTIZFKWCIHTPQZ-WCQYABFASA-N 2 2 294.399 0.170 20 0 CCADLP C[C@@H]1COC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000903392928 634556754 /nfs/dbraw/zinc/55/67/54/634556754.db2.gz BQKARGQXFOZUDA-MRVWCRGKSA-N 2 2 254.374 0.864 20 0 CCADLP O=C1CCCN1C[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903464628 634570383 /nfs/dbraw/zinc/57/03/83/634570383.db2.gz UJZPDRLJCXFMFA-CHWSQXEVSA-N 2 2 251.374 0.683 20 0 CCADLP O=C1CCCN1C[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903464628 634570389 /nfs/dbraw/zinc/57/03/89/634570389.db2.gz UJZPDRLJCXFMFA-CHWSQXEVSA-N 2 2 251.374 0.683 20 0 CCADLP O=C(CC[NH2+][C@H]1CC[NH2+]C12CCC2)N1CCOCC1 ZINC000903467793 634572013 /nfs/dbraw/zinc/57/20/13/634572013.db2.gz DQFRMUZVFFNRHP-LBPRGKRZSA-N 2 2 267.373 0.110 20 0 CCADLP C[C@](C[NH3+])([NH2+]Cc1[nH]nc2c1COCC2)C1CC1 ZINC000903716672 634627894 /nfs/dbraw/zinc/62/78/94/634627894.db2.gz BPXBWLZZYVEQTQ-CYBMUJFWSA-N 2 2 250.346 0.699 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000903751250 634635801 /nfs/dbraw/zinc/63/58/01/634635801.db2.gz HHBFSTRSFMFBAK-XHSDSOJGSA-N 3 2 281.444 0.907 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000903751250 634635804 /nfs/dbraw/zinc/63/58/04/634635804.db2.gz HHBFSTRSFMFBAK-XHSDSOJGSA-N 3 2 281.444 0.907 20 0 CCADLP [NH3+]C[C@H]1CCCC[N@@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903779251 634649253 /nfs/dbraw/zinc/64/92/53/634649253.db2.gz XHLANWVGGAKXCS-MGPQQGTHSA-N 3 2 253.390 0.568 20 0 CCADLP [NH3+]C[C@H]1CCCC[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903779251 634649258 /nfs/dbraw/zinc/64/92/58/634649258.db2.gz XHLANWVGGAKXCS-MGPQQGTHSA-N 3 2 253.390 0.568 20 0 CCADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000903932916 634692690 /nfs/dbraw/zinc/69/26/90/634692690.db2.gz ICMJTBMGKCMGRI-VHSXEESVSA-N 2 2 259.304 0.583 20 0 CCADLP [NH3+][C@H](CC(F)F)C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000903932916 634692696 /nfs/dbraw/zinc/69/26/96/634692696.db2.gz ICMJTBMGKCMGRI-VHSXEESVSA-N 2 2 259.304 0.583 20 0 CCADLP Cn1c[nH+]cc1CN[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903973513 634700235 /nfs/dbraw/zinc/70/02/35/634700235.db2.gz PENRMARDSSPFKA-LBPRGKRZSA-N 2 2 264.373 0.668 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(N)nn1 ZINC000904345516 634730882 /nfs/dbraw/zinc/73/08/82/634730882.db2.gz IZORWJRKUAVXHB-HZSPNIEDSA-N 2 2 291.399 0.742 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(N)nn1 ZINC000904345516 634730884 /nfs/dbraw/zinc/73/08/84/634730884.db2.gz IZORWJRKUAVXHB-HZSPNIEDSA-N 2 2 291.399 0.742 20 0 CCADLP C[C@@]1(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)CCC[NH2+]C1 ZINC000904350483 634733005 /nfs/dbraw/zinc/73/30/05/634733005.db2.gz MWLXNSCOASTIMG-LSDHHAIUSA-N 3 2 266.433 0.356 20 0 CCADLP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420338 634748810 /nfs/dbraw/zinc/74/88/10/634748810.db2.gz KXZPKOCUHISXGF-BFHYXJOUSA-N 3 2 290.415 0.244 20 0 CCADLP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420338 634748812 /nfs/dbraw/zinc/74/88/12/634748812.db2.gz KXZPKOCUHISXGF-BFHYXJOUSA-N 3 2 290.415 0.244 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000905149591 634810143 /nfs/dbraw/zinc/81/01/43/634810143.db2.gz RVSUJFGYGFWPGK-UTUOFQBUSA-N 2 2 265.361 0.663 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000905149591 634810144 /nfs/dbraw/zinc/81/01/44/634810144.db2.gz RVSUJFGYGFWPGK-UTUOFQBUSA-N 2 2 265.361 0.663 20 0 CCADLP C[C@H]1[C@@H](NC(=O)NCCCn2cc[nH+]c2)CC[N@@H+]1C ZINC000905149972 634809881 /nfs/dbraw/zinc/80/98/81/634809881.db2.gz VICMQKNDZCSRMN-RYUDHWBXSA-N 2 2 265.361 0.665 20 0 CCADLP C[C@H]1[C@@H](NC(=O)NCCCn2cc[nH+]c2)CC[N@H+]1C ZINC000905149972 634809884 /nfs/dbraw/zinc/80/98/84/634809884.db2.gz VICMQKNDZCSRMN-RYUDHWBXSA-N 2 2 265.361 0.665 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCF ZINC001027794876 630924696 /nfs/dbraw/zinc/92/46/96/630924696.db2.gz KMBWACWENDVUIZ-NWDGAFQWSA-N 2 2 257.353 0.631 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCF ZINC001027794876 630924701 /nfs/dbraw/zinc/92/47/01/630924701.db2.gz KMBWACWENDVUIZ-NWDGAFQWSA-N 2 2 257.353 0.631 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCF ZINC001027794876 630924710 /nfs/dbraw/zinc/92/47/10/630924710.db2.gz KMBWACWENDVUIZ-NWDGAFQWSA-N 2 2 257.353 0.631 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCF ZINC001027794876 630924719 /nfs/dbraw/zinc/92/47/19/630924719.db2.gz KMBWACWENDVUIZ-NWDGAFQWSA-N 2 2 257.353 0.631 20 0 CCADLP C[C@H](O)C[N@@H+]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000981716909 631310286 /nfs/dbraw/zinc/31/02/86/631310286.db2.gz UUNYZWQADGGLFH-ZDUSSCGKSA-N 2 2 280.372 0.188 20 0 CCADLP C[C@H](O)C[N@H+]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000981716909 631310287 /nfs/dbraw/zinc/31/02/87/631310287.db2.gz UUNYZWQADGGLFH-ZDUSSCGKSA-N 2 2 280.372 0.188 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)s1 ZINC000893660868 631337835 /nfs/dbraw/zinc/33/78/35/631337835.db2.gz GEJRCLLQSAXBTA-LLVKDONJSA-N 2 2 283.445 0.962 20 0 CCADLP Cn1nccc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010370569 631354599 /nfs/dbraw/zinc/35/45/99/631354599.db2.gz YEBUNMVQMHYRHC-GXTWGEPZSA-N 2 2 291.399 0.205 20 0 CCADLP Cn1nccc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010370569 631354608 /nfs/dbraw/zinc/35/46/08/631354608.db2.gz YEBUNMVQMHYRHC-GXTWGEPZSA-N 2 2 291.399 0.205 20 0 CCADLP Cn1nccc1C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001010370569 631354612 /nfs/dbraw/zinc/35/46/12/631354612.db2.gz YEBUNMVQMHYRHC-GXTWGEPZSA-N 2 2 291.399 0.205 20 0 CCADLP Cn1nccc1C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001010370569 631354619 /nfs/dbraw/zinc/35/46/19/631354619.db2.gz YEBUNMVQMHYRHC-GXTWGEPZSA-N 2 2 291.399 0.205 20 0 CCADLP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000925880571 631429825 /nfs/dbraw/zinc/42/98/25/631429825.db2.gz SWHUWDIEWQCLER-AHLTXXRQSA-N 3 2 253.390 0.470 20 0 CCADLP C[C@@H]1CC[N@H+](CCF)C[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000968647581 650025054 /nfs/dbraw/zinc/02/50/54/650025054.db2.gz MVXIMONIDOBEFZ-OLZOCXBDSA-N 2 2 271.380 0.878 20 0 CCADLP C[C@@H]1CC[N@@H+](CCF)C[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000968647581 650025056 /nfs/dbraw/zinc/02/50/56/650025056.db2.gz MVXIMONIDOBEFZ-OLZOCXBDSA-N 2 2 271.380 0.878 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@@H]([NH2+]CCF)C1 ZINC000968751692 650027777 /nfs/dbraw/zinc/02/77/77/650027777.db2.gz BWYBPBOFMHXMMS-GFCCVEGCSA-N 2 2 294.374 0.922 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N2CC[C@@H]([NH2+]C[C@H](C)O)C2)c[nH+]1 ZINC000969069455 650037872 /nfs/dbraw/zinc/03/78/72/650037872.db2.gz VUQPCDMDPMDZKV-QWHCGFSZSA-N 2 2 294.399 0.498 20 0 CCADLP CC(=O)OC[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000895436024 632082128 /nfs/dbraw/zinc/08/21/28/632082128.db2.gz NFXYKAUCSUDHSI-RISCZKNCSA-N 2 2 270.373 0.781 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895703202 632134054 /nfs/dbraw/zinc/13/40/54/632134054.db2.gz AGUXQOMGOGGGHG-WCQYABFASA-N 2 2 278.356 0.109 20 0 CCADLP C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000925196683 632609866 /nfs/dbraw/zinc/60/98/66/632609866.db2.gz HIARDEMDQATADT-FRRDWIJNSA-N 2 2 253.390 0.975 20 0 CCADLP C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000925196683 632609882 /nfs/dbraw/zinc/60/98/82/632609882.db2.gz HIARDEMDQATADT-FRRDWIJNSA-N 2 2 253.390 0.975 20 0 CCADLP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000925196685 632610934 /nfs/dbraw/zinc/61/09/34/632610934.db2.gz HIARDEMDQATADT-JHJVBQTASA-N 2 2 253.390 0.975 20 0 CCADLP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000925196685 632610952 /nfs/dbraw/zinc/61/09/52/632610952.db2.gz HIARDEMDQATADT-JHJVBQTASA-N 2 2 253.390 0.975 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H]1C ZINC000986627370 632783858 /nfs/dbraw/zinc/78/38/58/632783858.db2.gz GNKGXBBRIOXHAT-RYUDHWBXSA-N 2 2 250.346 0.872 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CC2CC2)CCN1C(=O)Cc1c[nH+]cn1C ZINC000987348697 632860050 /nfs/dbraw/zinc/86/00/50/632860050.db2.gz OPHVEZWLILCEMG-FZMZJTMJSA-N 2 2 276.384 0.952 20 0 CCADLP COc1cc(C)nc(NCC[NH+]2CCC([NH3+])CC2)n1 ZINC000321517312 632868315 /nfs/dbraw/zinc/86/83/15/632868315.db2.gz GPXPONBABHEUNM-UHFFFAOYSA-N 2 2 265.361 0.629 20 0 CCADLP C[C@H]1CCC[N@@H+]1CCNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000897479782 633020643 /nfs/dbraw/zinc/02/06/43/633020643.db2.gz IELKOVVNMQHSFC-AWEZNQCLSA-N 2 2 298.431 0.444 20 0 CCADLP C[C@H]1CCC[N@H+]1CCNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000897479782 633020653 /nfs/dbraw/zinc/02/06/53/633020653.db2.gz IELKOVVNMQHSFC-AWEZNQCLSA-N 2 2 298.431 0.444 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCO)CN1C(=O)c1cccc2[nH+]ccn21 ZINC000989169639 633162508 /nfs/dbraw/zinc/16/25/08/633162508.db2.gz KEJXSJXUELBHHY-RYUDHWBXSA-N 2 2 288.351 0.519 20 0 CCADLP CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCn2cc[nH+]c2)C1 ZINC000989266438 633180516 /nfs/dbraw/zinc/18/05/16/633180516.db2.gz MJMBFLZYJBIFIV-VXGBXAGGSA-N 2 2 250.346 0.872 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCC[NH+]2CCC(O)CC2)c[nH+]1 ZINC000897919141 633258812 /nfs/dbraw/zinc/25/88/12/633258812.db2.gz MHNIULDXOWTDBJ-UHFFFAOYSA-N 2 2 294.399 0.500 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCF)CN1C(=O)Cn1cc[nH+]c1 ZINC000989853372 633364576 /nfs/dbraw/zinc/36/45/76/633364576.db2.gz IDDZIAMMGYYTML-MNOVXSKESA-N 2 2 254.309 0.432 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCF)CN1C(=O)Cn1cc[nH+]c1 ZINC000989853373 633364791 /nfs/dbraw/zinc/36/47/91/633364791.db2.gz IDDZIAMMGYYTML-QWRGUYRKSA-N 2 2 254.309 0.432 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC[C@H]1CNC(=O)C1 ZINC000926986659 633570279 /nfs/dbraw/zinc/57/02/79/633570279.db2.gz OCDLXJQVBISQME-WZRBSPASSA-N 2 2 251.374 0.585 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC[C@H]1CNC(=O)C1 ZINC000926986659 633570282 /nfs/dbraw/zinc/57/02/82/633570282.db2.gz OCDLXJQVBISQME-WZRBSPASSA-N 2 2 251.374 0.585 20 0 CCADLP C/C(=C\C(=O)N(C)CC[NH+](C)C)C[NH+]1CCOCC1 ZINC000900925395 634128781 /nfs/dbraw/zinc/12/87/81/634128781.db2.gz AZQGODLLSDLFGU-ACCUITESSA-N 2 2 269.389 0.285 20 0 CCADLP Cc1nc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)oc1C ZINC000905292984 634833606 /nfs/dbraw/zinc/83/36/06/634833606.db2.gz CBKHPZMTBSWJJC-UHFFFAOYSA-N 2 2 281.360 0.836 20 0 CCADLP CN1CC[C@H]1C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000905550971 634877603 /nfs/dbraw/zinc/87/76/03/634877603.db2.gz HTDGSPYGFYZNCU-HOTGVXAUSA-N 2 2 277.412 0.773 20 0 CCADLP CN1CC[C@H]1C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000905550971 634877605 /nfs/dbraw/zinc/87/76/05/634877605.db2.gz HTDGSPYGFYZNCU-HOTGVXAUSA-N 2 2 277.412 0.773 20 0 CCADLP CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001009714185 650156453 /nfs/dbraw/zinc/15/64/53/650156453.db2.gz FWTRPXZOOVHKQU-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP CCC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001009714185 650156454 /nfs/dbraw/zinc/15/64/54/650156454.db2.gz FWTRPXZOOVHKQU-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)on1 ZINC001010369453 650207069 /nfs/dbraw/zinc/20/70/69/650207069.db2.gz KUCVVVIHFLPEPC-GXTWGEPZSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)on1 ZINC001010369453 650207074 /nfs/dbraw/zinc/20/70/74/650207074.db2.gz KUCVVVIHFLPEPC-GXTWGEPZSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)on1 ZINC001010369453 650207078 /nfs/dbraw/zinc/20/70/78/650207078.db2.gz KUCVVVIHFLPEPC-GXTWGEPZSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)on1 ZINC001010369453 650207082 /nfs/dbraw/zinc/20/70/82/650207082.db2.gz KUCVVVIHFLPEPC-GXTWGEPZSA-N 2 2 292.383 0.768 20 0 CCADLP [NH3+]CC1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000911670580 636328418 /nfs/dbraw/zinc/32/84/18/636328418.db2.gz MTZAUOJNTNYEEC-LBPRGKRZSA-N 2 2 262.357 0.643 20 0 CCADLP C[C@@H](CCNC(=O)CNc1cccc[nH+]1)[NH+](C)C ZINC000912389892 636567839 /nfs/dbraw/zinc/56/78/39/636567839.db2.gz HISBOSVXXKKSON-NSHDSACASA-N 2 2 250.346 0.950 20 0 CCADLP C[NH+](C)CCCNC(=S)NCCn1cc[nH+]c1 ZINC000044511798 636840188 /nfs/dbraw/zinc/84/01/88/636840188.db2.gz ITLKFUGRIWTHNV-UHFFFAOYSA-N 2 2 255.391 0.299 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[N@H+](CCCO)C2)c[nH+]1 ZINC001014901800 637032077 /nfs/dbraw/zinc/03/20/77/637032077.db2.gz MVHFHNPPKSGVPW-CYBMUJFWSA-N 2 2 294.399 0.500 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[N@@H+](CCCO)C2)c[nH+]1 ZINC001014901800 637032081 /nfs/dbraw/zinc/03/20/81/637032081.db2.gz MVHFHNPPKSGVPW-CYBMUJFWSA-N 2 2 294.399 0.500 20 0 CCADLP Cc1ccc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)cn1 ZINC000062053232 637148260 /nfs/dbraw/zinc/14/82/60/637148260.db2.gz NIBLJKRXPRMDQC-UHFFFAOYSA-N 2 2 262.357 0.254 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)CCO1 ZINC000171934110 637151333 /nfs/dbraw/zinc/15/13/33/637151333.db2.gz KHADYBSDNOUUDS-CYBMUJFWSA-N 2 2 292.383 0.767 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@]12CCC[C@@H]1[N@H+](CCO)CC2 ZINC000992443664 637413983 /nfs/dbraw/zinc/41/39/83/637413983.db2.gz GPVDFHFOLOEYRS-DZGCQCFKSA-N 2 2 292.383 0.366 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@]12CCC[C@@H]1[N@@H+](CCO)CC2 ZINC000992443664 637413987 /nfs/dbraw/zinc/41/39/87/637413987.db2.gz GPVDFHFOLOEYRS-DZGCQCFKSA-N 2 2 292.383 0.366 20 0 CCADLP C[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)[NH+]1CCOCC1 ZINC000914067426 637500253 /nfs/dbraw/zinc/50/02/53/637500253.db2.gz ROHWTOKIBBZQKA-UPJWGTAASA-N 2 2 284.404 0.099 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@H+](CCO)[C@@H]1C ZINC000994299168 637919091 /nfs/dbraw/zinc/91/90/91/637919091.db2.gz UHAUDDDBOUICMU-NEPJUHHUSA-N 2 2 280.372 0.222 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H]1CCCS1(=O)=O ZINC000930124000 638129702 /nfs/dbraw/zinc/12/97/02/638129702.db2.gz DTBTVQRHKGIOHX-LBPRGKRZSA-N 2 2 271.386 0.782 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H]1CCCS1(=O)=O ZINC000930124000 638129706 /nfs/dbraw/zinc/12/97/06/638129706.db2.gz DTBTVQRHKGIOHX-LBPRGKRZSA-N 2 2 271.386 0.782 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CCF)C[C@@H]1C ZINC000942518850 638661136 /nfs/dbraw/zinc/66/11/36/638661136.db2.gz YHNIBNYBIAJODV-AAEUAGOBSA-N 2 2 282.363 0.988 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CCF)C[C@@H]1C ZINC000942518850 638661138 /nfs/dbraw/zinc/66/11/38/638661138.db2.gz YHNIBNYBIAJODV-AAEUAGOBSA-N 2 2 282.363 0.988 20 0 CCADLP C[C@@H]1C[N@H+](CCCO)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943174134 638708176 /nfs/dbraw/zinc/70/81/76/638708176.db2.gz BTIBPNOCHISKKV-DGCLKSJQSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@@H]1C[N@@H+](CCCO)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943174134 638708187 /nfs/dbraw/zinc/70/81/87/638708187.db2.gz BTIBPNOCHISKKV-DGCLKSJQSA-N 2 2 280.372 0.161 20 0 CCADLP CC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC1(C)C ZINC000996514485 638821445 /nfs/dbraw/zinc/82/14/45/638821445.db2.gz NLNCCHXFIGDHRX-LBPRGKRZSA-N 2 2 264.373 0.809 20 0 CCADLP C[C@H](CN1CCOCC1)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000921545376 638856742 /nfs/dbraw/zinc/85/67/42/638856742.db2.gz LQTVWLDDCJVQEZ-CYBMUJFWSA-N 2 2 278.400 0.958 20 0 CCADLP CC[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)CC1 ZINC000997346591 638863437 /nfs/dbraw/zinc/86/34/37/638863437.db2.gz VBEJPHAXNPRTQI-HNNXBMFYSA-N 2 2 295.427 0.698 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC([NH2+]CCF)C1 ZINC000999748257 638995925 /nfs/dbraw/zinc/99/59/25/638995925.db2.gz UXAQBVITDWXSNF-UHFFFAOYSA-N 2 2 268.336 0.809 20 0 CCADLP O=C(NC1CC[NH+](CCCO)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001003068303 639500845 /nfs/dbraw/zinc/50/08/45/639500845.db2.gz RYGCXKOEZMFYQN-CHWSQXEVSA-N 2 2 292.383 0.476 20 0 CCADLP O=C(NC1CC[NH+](CCCO)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001003068303 639500849 /nfs/dbraw/zinc/50/08/49/639500849.db2.gz RYGCXKOEZMFYQN-CHWSQXEVSA-N 2 2 292.383 0.476 20 0 CCADLP Cc1ncccc1C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016394697 639544263 /nfs/dbraw/zinc/54/42/63/639544263.db2.gz ROVMIFWQLBJKHG-OAHLLOKOSA-N 2 2 299.378 0.977 20 0 CCADLP Cc1ncccc1C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016394697 639544270 /nfs/dbraw/zinc/54/42/70/639544270.db2.gz ROVMIFWQLBJKHG-OAHLLOKOSA-N 2 2 299.378 0.977 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC1CC[NH+](CCCF)CC1 ZINC001003842255 639633561 /nfs/dbraw/zinc/63/35/61/639633561.db2.gz JZRMJKIMZKVVIY-UHFFFAOYSA-N 2 2 268.336 0.892 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001014998610 650513603 /nfs/dbraw/zinc/51/36/03/650513603.db2.gz CQSGWDGVMWEFPO-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001014998610 650513604 /nfs/dbraw/zinc/51/36/04/650513604.db2.gz CQSGWDGVMWEFPO-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP O=C1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)Cc2ccccc2N1 ZINC000923387473 640118056 /nfs/dbraw/zinc/11/80/56/640118056.db2.gz KMZKLXBKRRRUHH-CYBMUJFWSA-N 2 2 287.363 0.819 20 0 CCADLP O=C1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)Cc2ccccc2N1 ZINC000923387473 640118065 /nfs/dbraw/zinc/11/80/65/640118065.db2.gz KMZKLXBKRRRUHH-CYBMUJFWSA-N 2 2 287.363 0.819 20 0 CCADLP c1c(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)nc2ncccn12 ZINC000923516460 640173103 /nfs/dbraw/zinc/17/31/03/640173103.db2.gz GFNZNWNHKBSQQP-NWDGAFQWSA-N 2 2 257.341 0.771 20 0 CCADLP c1c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)nc2ncccn12 ZINC000923516460 640173109 /nfs/dbraw/zinc/17/31/09/640173109.db2.gz GFNZNWNHKBSQQP-NWDGAFQWSA-N 2 2 257.341 0.771 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)NC(C)(C)C[NH+](C)C)CCO1 ZINC000838116434 640234280 /nfs/dbraw/zinc/23/42/80/640234280.db2.gz UUERRDDDXXYMRQ-GFCCVEGCSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC(C)(C)C[NH+](C)C)CCO1 ZINC000838116434 640234286 /nfs/dbraw/zinc/23/42/86/640234286.db2.gz UUERRDDDXXYMRQ-GFCCVEGCSA-N 2 2 286.420 0.347 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000799168807 640554552 /nfs/dbraw/zinc/55/45/52/640554552.db2.gz XIIFLSOHELWANS-QWRGUYRKSA-N 2 2 276.340 0.405 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000799168807 640554556 /nfs/dbraw/zinc/55/45/56/640554556.db2.gz XIIFLSOHELWANS-QWRGUYRKSA-N 2 2 276.340 0.405 20 0 CCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CC[NH+](CCF)C1 ZINC001015702361 650612148 /nfs/dbraw/zinc/61/21/48/650612148.db2.gz MZXLMZKBDYPXET-VXGBXAGGSA-N 2 2 257.353 0.631 20 0 CCADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1CC[NH+](CCF)C1 ZINC001015702361 650612150 /nfs/dbraw/zinc/61/21/50/650612150.db2.gz MZXLMZKBDYPXET-VXGBXAGGSA-N 2 2 257.353 0.631 20 0 CCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@H+](CCF)C1 ZINC001015702361 650612153 /nfs/dbraw/zinc/61/21/53/650612153.db2.gz MZXLMZKBDYPXET-VXGBXAGGSA-N 2 2 257.353 0.631 20 0 CCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@@H+](CCF)C1 ZINC001015702361 650612157 /nfs/dbraw/zinc/61/21/57/650612157.db2.gz MZXLMZKBDYPXET-VXGBXAGGSA-N 2 2 257.353 0.631 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000816932046 641231788 /nfs/dbraw/zinc/23/17/88/641231788.db2.gz FELVZBZBQVIHOP-LBPRGKRZSA-N 2 2 262.357 0.897 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCOc1cccnc1 ZINC000817892172 641276623 /nfs/dbraw/zinc/27/66/23/641276623.db2.gz JXQDLXPWLUCCEA-QWHCGFSZSA-N 2 2 265.357 0.817 20 0 CCADLP O=C(C[NH+]1CCCC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000820341714 641500126 /nfs/dbraw/zinc/50/01/26/641500126.db2.gz SSUMSOYJRSYUCW-CQSZACIVSA-N 2 2 281.400 0.405 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC001016002495 650673309 /nfs/dbraw/zinc/67/33/09/650673309.db2.gz VHEDVNYVHQCNQS-CHWSQXEVSA-N 2 2 292.383 0.190 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001016002495 650673312 /nfs/dbraw/zinc/67/33/12/650673312.db2.gz VHEDVNYVHQCNQS-CHWSQXEVSA-N 2 2 292.383 0.190 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001016105855 650680888 /nfs/dbraw/zinc/68/08/88/650680888.db2.gz IVJUTHXVMWIWGO-GFCCVEGCSA-N 2 2 262.357 0.861 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001016105855 650680889 /nfs/dbraw/zinc/68/08/89/650680889.db2.gz IVJUTHXVMWIWGO-GFCCVEGCSA-N 2 2 262.357 0.861 20 0 CCADLP Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)o1 ZINC001016253408 650705987 /nfs/dbraw/zinc/70/59/87/650705987.db2.gz YYIJHIAYCURJLL-CYBMUJFWSA-N 2 2 292.383 0.769 20 0 CCADLP Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)o1 ZINC001016253408 650705988 /nfs/dbraw/zinc/70/59/88/650705988.db2.gz YYIJHIAYCURJLL-CYBMUJFWSA-N 2 2 292.383 0.769 20 0 CCADLP [NH3+][C@H](CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C1CC1 ZINC000830630635 642278311 /nfs/dbraw/zinc/27/83/11/642278311.db2.gz NHJLHNSPHFVCPW-UONOGXRCSA-N 2 2 281.400 0.437 20 0 CCADLP [NH3+][C@H](CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CC1 ZINC000831443834 642363815 /nfs/dbraw/zinc/36/38/15/642363815.db2.gz POGNHNSVYABMLC-CHWSQXEVSA-N 2 2 274.368 0.904 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH2+][C@H](C[NH3+])C2CCCCC2)CCO1 ZINC000842476699 642900090 /nfs/dbraw/zinc/90/00/90/642900090.db2.gz SLEYAINXZYSCOU-TZMCWYRMSA-N 2 2 283.416 0.731 20 0 CCADLP CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001017441453 650802833 /nfs/dbraw/zinc/80/28/33/650802833.db2.gz QUBGMFUYANZAEI-MJBXVCDLSA-N 2 2 281.400 0.402 20 0 CCADLP CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001017441453 650802836 /nfs/dbraw/zinc/80/28/36/650802836.db2.gz QUBGMFUYANZAEI-MJBXVCDLSA-N 2 2 281.400 0.402 20 0 CCADLP CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001017441453 650802838 /nfs/dbraw/zinc/80/28/38/650802838.db2.gz QUBGMFUYANZAEI-MJBXVCDLSA-N 2 2 281.400 0.402 20 0 CCADLP CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001017441453 650802840 /nfs/dbraw/zinc/80/28/40/650802840.db2.gz QUBGMFUYANZAEI-MJBXVCDLSA-N 2 2 281.400 0.402 20 0 CCADLP Cn1c[nH+]cc1Cc1noc(CC[C@@H]2CC[NH2+]C2)n1 ZINC000843199030 643012099 /nfs/dbraw/zinc/01/20/99/643012099.db2.gz BKXOWTJZCJHNII-SNVBAGLBSA-N 2 2 261.329 0.936 20 0 CCADLP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+](C)CCC[NH3+] ZINC000843351246 643036115 /nfs/dbraw/zinc/03/61/15/643036115.db2.gz MZLNCPGYFBYQCT-VIFPVBQESA-N 2 2 291.355 0.876 20 0 CCADLP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+](C)CCC[NH3+] ZINC000843351246 643036124 /nfs/dbraw/zinc/03/61/24/643036124.db2.gz MZLNCPGYFBYQCT-VIFPVBQESA-N 2 2 291.355 0.876 20 0 CCADLP C[C@@H]1C[C@@H](C)N(C(=O)c2n[nH]c3c2C[NH2+]CC3)C[C@H]1C[NH3+] ZINC000843501042 643086945 /nfs/dbraw/zinc/08/69/45/643086945.db2.gz APHIQCULSAHUFH-GMTAPVOTSA-N 2 2 291.399 0.501 20 0 CCADLP C[C@H]([NH3+])CC(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000844187160 643176419 /nfs/dbraw/zinc/17/64/19/643176419.db2.gz CJDHKLWDXSXJDH-VIFPVBQESA-N 2 2 263.332 0.912 20 0 CCADLP C[C@H]([NH3+])CC(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000844187160 643176422 /nfs/dbraw/zinc/17/64/22/643176422.db2.gz CJDHKLWDXSXJDH-VIFPVBQESA-N 2 2 263.332 0.912 20 0 CCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000848428587 643635667 /nfs/dbraw/zinc/63/56/67/643635667.db2.gz DLHMZJYMLPDXIN-DOMZBBRYSA-N 2 2 274.368 0.800 20 0 CCADLP OCC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CC1 ZINC000848535200 643649956 /nfs/dbraw/zinc/64/99/56/643649956.db2.gz XSWXDAOYRWGMDU-HUUCEWRRSA-N 2 2 268.401 0.990 20 0 CCADLP C[C@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)[C@@H]1CCC[NH2+]1 ZINC000848723000 643671124 /nfs/dbraw/zinc/67/11/24/643671124.db2.gz ZWJOCEAFYZERCN-DLOVCJGASA-N 2 2 253.346 0.700 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC2(CC1)OCCCO2 ZINC000852092237 643926284 /nfs/dbraw/zinc/92/62/84/643926284.db2.gz SDKCQDBRVPWDAO-CQSZACIVSA-N 2 2 286.416 0.917 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC2(CC1)OCCCO2 ZINC000852092237 643926291 /nfs/dbraw/zinc/92/62/91/643926291.db2.gz SDKCQDBRVPWDAO-CQSZACIVSA-N 2 2 286.416 0.917 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000857107751 644468862 /nfs/dbraw/zinc/46/88/62/644468862.db2.gz GOHJXKCMHAAUCN-YNEHKIRRSA-N 2 2 284.404 0.228 20 0 CCADLP NC(=O)COc1ccc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000857229805 644484579 /nfs/dbraw/zinc/48/45/79/644484579.db2.gz HOKFTHDWRVOKKU-CJNGLKHVSA-N 2 2 289.379 0.864 20 0 CCADLP NC(=O)COc1ccc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000857229805 644484587 /nfs/dbraw/zinc/48/45/87/644484587.db2.gz HOKFTHDWRVOKKU-CJNGLKHVSA-N 2 2 289.379 0.864 20 0 CCADLP O=C(N[C@H]1Cc2c[nH+]cn2C1)C1CC[NH+](C2CC2)CC1 ZINC000857886399 644572316 /nfs/dbraw/zinc/57/23/16/644572316.db2.gz YATDWEYLPKOFAV-LBPRGKRZSA-N 2 2 274.368 0.798 20 0 CCADLP C[C@H](C[C@H]1CCOC1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000858467341 644623904 /nfs/dbraw/zinc/62/39/04/644623904.db2.gz ULVYMPQEVLHIOE-MCIONIFRSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@H](C[C@H]1CCOC1)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000858467341 644623906 /nfs/dbraw/zinc/62/39/06/644623906.db2.gz ULVYMPQEVLHIOE-MCIONIFRSA-N 2 2 283.416 0.731 20 0 CCADLP Cc1ccc(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])c(N(C)C)[nH+]1 ZINC000861542089 644889114 /nfs/dbraw/zinc/88/91/14/644889114.db2.gz LEQLXZDRQQSCEZ-VIFPVBQESA-N 2 2 293.371 0.200 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]([NH2+]CCF)C1 ZINC001019406544 650970387 /nfs/dbraw/zinc/97/03/87/650970387.db2.gz HYWUSZDGCGXWMJ-QJPTWQEYSA-N 2 2 280.347 0.684 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([NH2+]C[C@H]2CCCCO2)C1 ZINC001019435704 650972740 /nfs/dbraw/zinc/97/27/40/650972740.db2.gz KTCUFUGCZMMQNQ-GXTWGEPZSA-N 2 2 292.383 0.712 20 0 CCADLP O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000864602841 645247051 /nfs/dbraw/zinc/24/70/51/645247051.db2.gz UEUXYQNGZNYOTN-ZDUSSCGKSA-N 2 2 287.323 0.187 20 0 CCADLP C[C@@H](CNC(=O)/C=C\C[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000864931104 645305393 /nfs/dbraw/zinc/30/53/93/645305393.db2.gz IWUYDQSCXNOQNE-XVWMLYKFSA-N 2 2 295.427 0.723 20 0 CCADLP C[C@@H](O)[C@@H](O)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000865738992 645407658 /nfs/dbraw/zinc/40/76/58/645407658.db2.gz RMBMOTALKDQRRZ-SCZZXKLOSA-N 2 2 259.375 0.036 20 0 CCADLP O=C([C@@H](O)c1c[nH+]c[nH]1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000866010297 645462095 /nfs/dbraw/zinc/46/20/95/645462095.db2.gz VVNBZGYEXXQESN-AAEUAGOBSA-N 2 2 278.356 0.387 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)nc[nH+]1 ZINC000866206513 645505987 /nfs/dbraw/zinc/50/59/87/645505987.db2.gz RZVPKCOAVNYVQI-YNEHKIRRSA-N 2 2 291.399 0.800 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)nc[nH+]1 ZINC000866206513 645505989 /nfs/dbraw/zinc/50/59/89/645505989.db2.gz RZVPKCOAVNYVQI-YNEHKIRRSA-N 2 2 291.399 0.800 20 0 CCADLP C[C@H](CCCCO)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866412896 645526121 /nfs/dbraw/zinc/52/61/21/645526121.db2.gz NHDDDNKYWJSYLP-OLZOCXBDSA-N 2 2 258.406 0.972 20 0 CCADLP C[C@H](CCCCO)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866412896 645526113 /nfs/dbraw/zinc/52/61/13/645526113.db2.gz NHDDDNKYWJSYLP-OLZOCXBDSA-N 2 2 258.406 0.972 20 0 CCADLP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NCCCn1cc[nH+]c1)C2 ZINC000871599946 646157651 /nfs/dbraw/zinc/15/76/51/646157651.db2.gz GOUCKHXIBSSXFF-GXTWGEPZSA-N 2 2 277.372 0.524 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)NCc1ccccn1 ZINC000124423857 646354946 /nfs/dbraw/zinc/35/49/46/646354946.db2.gz XXTOXGIQHDLKLX-UHFFFAOYSA-N 2 2 287.367 0.916 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)NCc1ccccn1 ZINC000124423857 646354952 /nfs/dbraw/zinc/35/49/52/646354952.db2.gz XXTOXGIQHDLKLX-UHFFFAOYSA-N 2 2 287.367 0.916 20 0 CCADLP C[C@H]([C@H](C)NC(=O)C[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000874386060 646448792 /nfs/dbraw/zinc/44/87/92/646448792.db2.gz SDSMHXSDCWANRR-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP [NH3+]C1CCC(NC(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000876515827 646617073 /nfs/dbraw/zinc/61/70/73/646617073.db2.gz FMFGHRFSORIVGH-OWOJBTEDSA-N 2 2 267.373 0.261 20 0 CCADLP [NH3+]C[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)C1CCCCC1 ZINC000876532138 646621735 /nfs/dbraw/zinc/62/17/35/646621735.db2.gz BYEKDAYKNADQKP-SZTZYQKNSA-N 2 2 295.427 0.899 20 0 CCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876727807 646652401 /nfs/dbraw/zinc/65/24/01/646652401.db2.gz RPUSUVPNCRQHFA-SMDDNHRTSA-N 2 2 294.374 0.826 20 0 CCADLP Cc1cc(CNC(=O)[C@@H](N)C[NH+](C)C)cc(C)[nH+]1 ZINC000876927053 646699332 /nfs/dbraw/zinc/69/93/32/646699332.db2.gz PBWZPYBDJIMPCP-LBPRGKRZSA-N 2 2 250.346 0.204 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877332045 646795803 /nfs/dbraw/zinc/79/58/03/646795803.db2.gz UVZAFPRKCZMJKV-ZDUSSCGKSA-N 2 2 292.383 0.548 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](CN2CCOC2=O)C1 ZINC000878660550 646953534 /nfs/dbraw/zinc/95/35/34/646953534.db2.gz VMGGIHSCIUYTES-GFCCVEGCSA-N 2 2 278.356 0.737 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](CN2CCOC2=O)C1 ZINC000878660550 646953535 /nfs/dbraw/zinc/95/35/35/646953535.db2.gz VMGGIHSCIUYTES-GFCCVEGCSA-N 2 2 278.356 0.737 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](CC1CC1)[C@@H](C(N)=O)C1CC1 ZINC000879487392 647064347 /nfs/dbraw/zinc/06/43/47/647064347.db2.gz WBDWRAWIZKYMOH-HUUCEWRRSA-N 2 2 297.443 0.663 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](CC1CC1)[C@@H](C(N)=O)C1CC1 ZINC000879487392 647064349 /nfs/dbraw/zinc/06/43/49/647064349.db2.gz WBDWRAWIZKYMOH-HUUCEWRRSA-N 2 2 297.443 0.663 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](CC1CC1)[C@@H](C(N)=O)C1CC1 ZINC000879487392 647064354 /nfs/dbraw/zinc/06/43/54/647064354.db2.gz WBDWRAWIZKYMOH-HUUCEWRRSA-N 2 2 297.443 0.663 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](CC1CC1)[C@@H](C(N)=O)C1CC1 ZINC000879487392 647064360 /nfs/dbraw/zinc/06/43/60/647064360.db2.gz WBDWRAWIZKYMOH-HUUCEWRRSA-N 2 2 297.443 0.663 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879569299 647075671 /nfs/dbraw/zinc/07/56/71/647075671.db2.gz MVHCCWRTKAXPIR-MDZLAQPJSA-N 2 2 251.374 0.680 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879569299 647075679 /nfs/dbraw/zinc/07/56/79/647075679.db2.gz MVHCCWRTKAXPIR-MDZLAQPJSA-N 2 2 251.374 0.680 20 0 CCADLP C[C@H](C(=O)NC1CC1)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879569299 647075685 /nfs/dbraw/zinc/07/56/85/647075685.db2.gz MVHCCWRTKAXPIR-MDZLAQPJSA-N 2 2 251.374 0.680 20 0 CCADLP C[C@H](C(=O)NC1CC1)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879569299 647075692 /nfs/dbraw/zinc/07/56/92/647075692.db2.gz MVHCCWRTKAXPIR-MDZLAQPJSA-N 2 2 251.374 0.680 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC000879941088 647130697 /nfs/dbraw/zinc/13/06/97/647130697.db2.gz SPWGBAXBHRASSG-ZIAGYGMSSA-N 2 2 297.424 0.948 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC000879941088 647130700 /nfs/dbraw/zinc/13/07/00/647130700.db2.gz SPWGBAXBHRASSG-ZIAGYGMSSA-N 2 2 297.424 0.948 20 0 CCADLP c1cn(C[C@@H]([NH2+]CCn2cnnn2)c2ccccc2)c[nH+]1 ZINC000880570382 647232811 /nfs/dbraw/zinc/23/28/11/647232811.db2.gz VODLBLKDFWVVKZ-CQSZACIVSA-N 2 2 283.339 0.901 20 0 CCADLP Cc1cc(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)no1 ZINC000882988160 647473113 /nfs/dbraw/zinc/47/31/13/647473113.db2.gz DHCRUEKFVWPHQI-LLVKDONJSA-N 2 2 252.362 0.709 20 0 CCADLP NC(=O)COc1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000131385004 647506265 /nfs/dbraw/zinc/50/62/65/647506265.db2.gz VTPACVRPDBIPIF-GFCCVEGCSA-N 2 2 263.341 0.474 20 0 CCADLP NC(=O)COc1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000131385004 647506268 /nfs/dbraw/zinc/50/62/68/647506268.db2.gz VTPACVRPDBIPIF-GFCCVEGCSA-N 2 2 263.341 0.474 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N2CC[NH2+][C@H](C)C2)c[nH+]1 ZINC000884031318 647618741 /nfs/dbraw/zinc/61/87/41/647618741.db2.gz MUTISOHKGXKLDU-SNVBAGLBSA-N 2 2 250.346 0.747 20 0 CCADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1[C@H]1CCNC1=O ZINC000887132599 648072513 /nfs/dbraw/zinc/07/25/13/648072513.db2.gz IZZBQEZTCDMSCM-YPMHNXCESA-N 2 2 260.341 0.481 20 0 CCADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1[C@H]1CCNC1=O ZINC000887132599 648072516 /nfs/dbraw/zinc/07/25/16/648072516.db2.gz IZZBQEZTCDMSCM-YPMHNXCESA-N 2 2 260.341 0.481 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC000925322140 648414411 /nfs/dbraw/zinc/41/44/11/648414411.db2.gz DHUPKUJJJUYFDO-RDBSUJKOSA-N 2 2 296.415 0.195 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CC[N@H+]1C ZINC000925322140 648414415 /nfs/dbraw/zinc/41/44/15/648414415.db2.gz DHUPKUJJJUYFDO-RDBSUJKOSA-N 2 2 296.415 0.195 20 0 CCADLP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C12CCC2 ZINC000925614281 648446859 /nfs/dbraw/zinc/44/68/59/648446859.db2.gz WEBDSWHJGRFVLC-UPJWGTAASA-N 3 2 253.390 0.303 20 0 CCADLP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@H]2C[NH2+]CCOC2)cn1 ZINC000925709745 648456107 /nfs/dbraw/zinc/45/61/07/648456107.db2.gz VNXWFMQEEAXZLB-KKUMJFAQSA-N 2 2 278.400 0.709 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](CO)C[C@@H]1CCCO1 ZINC000925765753 648459389 /nfs/dbraw/zinc/45/93/89/648459389.db2.gz DQQKGOGQJZIZBK-RQJABVFESA-N 2 2 272.389 0.273 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000925856873 648467386 /nfs/dbraw/zinc/46/73/86/648467386.db2.gz GMPADELEPSPJQS-OFIBSPLFSA-N 2 2 272.414 0.682 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928084692 648612910 /nfs/dbraw/zinc/61/29/10/648612910.db2.gz DZQKXEXNZASVPK-YPMHNXCESA-N 2 2 294.424 0.957 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928084692 648612912 /nfs/dbraw/zinc/61/29/12/648612912.db2.gz DZQKXEXNZASVPK-YPMHNXCESA-N 2 2 294.424 0.957 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H]2CCC3(COC3)O2)CC1 ZINC000930067316 648818050 /nfs/dbraw/zinc/81/80/50/648818050.db2.gz LONMHYGFVWNUGH-ZDUSSCGKSA-N 2 2 292.383 0.490 20 0 CCADLP O[C@@H]1CC[N@@H+](C2CC[NH+](CCOC3CC3)CC2)C1 ZINC000931065323 648942627 /nfs/dbraw/zinc/94/26/27/648942627.db2.gz AGNGANRIIPPQPO-CYBMUJFWSA-N 2 2 254.374 0.696 20 0 CCADLP O[C@@H]1CC[N@H+](C2CC[NH+](CCOC3CC3)CC2)C1 ZINC000931065323 648942630 /nfs/dbraw/zinc/94/26/30/648942630.db2.gz AGNGANRIIPPQPO-CYBMUJFWSA-N 2 2 254.374 0.696 20 0 CCADLP C[C@H]1CCCN1C(=O)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931280289 648973983 /nfs/dbraw/zinc/97/39/83/648973983.db2.gz WGCWRAYFVHRUHW-RMRHIDDWSA-N 2 2 265.401 0.879 20 0 CCADLP C[C@H]1CCCN1C(=O)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931280289 648973989 /nfs/dbraw/zinc/97/39/89/648973989.db2.gz WGCWRAYFVHRUHW-RMRHIDDWSA-N 2 2 265.401 0.879 20 0 CCADLP OC[C@H](O)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000931707045 649020342 /nfs/dbraw/zinc/02/03/42/649020342.db2.gz LZUJHWDISKAPHH-KGLIPLIRSA-N 2 2 261.325 0.567 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCO)[C@@H](C)C1 ZINC000947980929 649358458 /nfs/dbraw/zinc/35/84/58/649358458.db2.gz SDODHOKRWDYFOY-JQWIXIFHSA-N 2 2 280.372 0.222 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000947980929 649358463 /nfs/dbraw/zinc/35/84/63/649358463.db2.gz SDODHOKRWDYFOY-JQWIXIFHSA-N 2 2 280.372 0.222 20 0 CCADLP COCC[N@H+]1[C@H](C)CN(CC[NH+]2CCO[C@H](C)C2)C[C@@H]1C ZINC000192777096 649514570 /nfs/dbraw/zinc/51/45/70/649514570.db2.gz BWSOFLJBTHQWNL-OWCLPIDISA-N 2 2 299.459 0.748 20 0 CCADLP COCC[N@@H+]1[C@H](C)CN(CC[NH+]2CCO[C@H](C)C2)C[C@@H]1C ZINC000192777096 649514579 /nfs/dbraw/zinc/51/45/79/649514579.db2.gz BWSOFLJBTHQWNL-OWCLPIDISA-N 2 2 299.459 0.748 20 0 CCADLP COCC[NH+]1[C@H](C)CN(CC[N@@H+]2CCO[C@H](C)C2)C[C@@H]1C ZINC000192777096 649514585 /nfs/dbraw/zinc/51/45/85/649514585.db2.gz BWSOFLJBTHQWNL-OWCLPIDISA-N 2 2 299.459 0.748 20 0 CCADLP COCC[NH+]1[C@H](C)CN(CC[N@H+]2CCO[C@H](C)C2)C[C@@H]1C ZINC000192777096 649514589 /nfs/dbraw/zinc/51/45/89/649514589.db2.gz BWSOFLJBTHQWNL-OWCLPIDISA-N 2 2 299.459 0.748 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCO1 ZINC000080959553 649569330 /nfs/dbraw/zinc/56/93/30/649569330.db2.gz WLUJVPRVIGBISP-OLZOCXBDSA-N 2 2 292.383 0.836 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCO1 ZINC000080959553 649569333 /nfs/dbraw/zinc/56/93/33/649569333.db2.gz WLUJVPRVIGBISP-OLZOCXBDSA-N 2 2 292.383 0.836 20 0 CCADLP CC1CC[NH+](CC(=O)N2CC[NH+](CCCO)CC2)CC1 ZINC000952393708 649598245 /nfs/dbraw/zinc/59/82/45/649598245.db2.gz IPUHFJQIBRKJSZ-UHFFFAOYSA-N 2 2 283.416 0.245 20 0 CCADLP CNc1cc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)nc[nH+]1 ZINC000249844267 649753271 /nfs/dbraw/zinc/75/32/71/649753271.db2.gz ABWZTCHCQAXAKO-QWRGUYRKSA-N 2 2 263.345 0.793 20 0 CCADLP CNc1cc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)nc[nH+]1 ZINC000249844267 649753276 /nfs/dbraw/zinc/75/32/76/649753276.db2.gz ABWZTCHCQAXAKO-QWRGUYRKSA-N 2 2 263.345 0.793 20 0 CCADLP CCN(CC)c1cc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)nc[nH+]1 ZINC001164674871 719414967 /nfs/dbraw/zinc/41/49/67/719414967.db2.gz XVARLANNAYGEAP-OLZOCXBDSA-N 2 2 291.399 0.842 20 0 CCADLP CCN(CC)c1cc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)nc[nH+]1 ZINC001164674871 719414968 /nfs/dbraw/zinc/41/49/68/719414968.db2.gz XVARLANNAYGEAP-OLZOCXBDSA-N 2 2 291.399 0.842 20 0 CCADLP CCOCCC[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001230438342 805601839 /nfs/dbraw/zinc/60/18/39/805601839.db2.gz JUNSSJOYMGKRPR-UHFFFAOYSA-N 2 2 294.399 0.890 20 0 CCADLP Cc1ncoc1C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039028923 790410308 /nfs/dbraw/zinc/41/03/08/790410308.db2.gz SODIHQQVZXKTRN-CHWSQXEVSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1ncoc1C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001039028923 790410313 /nfs/dbraw/zinc/41/03/13/790410313.db2.gz SODIHQQVZXKTRN-CHWSQXEVSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1ncoc1C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039028923 790410320 /nfs/dbraw/zinc/41/03/20/790410320.db2.gz SODIHQQVZXKTRN-CHWSQXEVSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1ncoc1C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039028923 790410324 /nfs/dbraw/zinc/41/03/24/790410324.db2.gz SODIHQQVZXKTRN-CHWSQXEVSA-N 2 2 292.383 0.625 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001266535302 790890053 /nfs/dbraw/zinc/89/00/53/790890053.db2.gz XYOOVABNJHDCSM-STQMWFEESA-N 2 2 292.383 0.282 20 0 CCADLP Cc1cc(C[NH2+]CCCNC(=O)Cc2c[nH]c[nH+]2)ncn1 ZINC001167346019 790931300 /nfs/dbraw/zinc/93/13/00/790931300.db2.gz FHFDXWXUSXIOOT-UHFFFAOYSA-N 2 2 288.355 0.347 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]C[C@@H]1CCCOC1 ZINC001167355329 790955760 /nfs/dbraw/zinc/95/57/60/790955760.db2.gz BQDJQSKQVDNMMB-LBPRGKRZSA-N 2 2 280.372 0.475 20 0 CCADLP Cc1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)on1 ZINC001277607643 805894276 /nfs/dbraw/zinc/89/42/76/805894276.db2.gz SSNSXJKGMFYVMO-OKILXGFUSA-N 2 2 294.399 0.430 20 0 CCADLP Cc1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)on1 ZINC001277607643 805894287 /nfs/dbraw/zinc/89/42/87/805894287.db2.gz SSNSXJKGMFYVMO-OKILXGFUSA-N 2 2 294.399 0.430 20 0 CCADLP C[NH+]1CCN(c2ccc(C[NH+]3CC4(COC4)C3)cn2)CC1 ZINC001232360281 805928471 /nfs/dbraw/zinc/92/84/71/805928471.db2.gz DFLQOKZSMBIWKO-UHFFFAOYSA-N 2 2 288.395 0.666 20 0 CCADLP Cc1cnc(C[NH2+]CCN(C)C(=O)CC[NH+](C)C)o1 ZINC001266826910 791271288 /nfs/dbraw/zinc/27/12/88/791271288.db2.gz BABOPGZJTDZODB-UHFFFAOYSA-N 2 2 268.361 0.483 20 0 CCADLP Cc1nn(C)cc1C[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001204577674 791348176 /nfs/dbraw/zinc/34/81/76/791348176.db2.gz HEANPQIRXYDAHP-UHFFFAOYSA-N 2 2 265.405 0.408 20 0 CCADLP Cc1nn(C)cc1C[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001204577674 791348179 /nfs/dbraw/zinc/34/81/79/791348179.db2.gz HEANPQIRXYDAHP-UHFFFAOYSA-N 2 2 265.405 0.408 20 0 CCADLP CC(C)OCC[NH2+][C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001266981869 791419430 /nfs/dbraw/zinc/41/94/30/791419430.db2.gz SAMSUEKNGPWJBH-NSHDSACASA-N 2 2 268.361 0.472 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CCOC1CCC1 ZINC001266995519 791429643 /nfs/dbraw/zinc/42/96/43/791429643.db2.gz IHUWLPCSPPZJSX-LBPRGKRZSA-N 2 2 280.372 0.547 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](C[C@@H](O)c2ccc(F)c(F)c2)C[C@@H]1O ZINC001246026226 807124328 /nfs/dbraw/zinc/12/43/28/807124328.db2.gz ZTZHCZDCKXXBIY-BIMULSAOSA-N 2 2 272.295 0.250 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](C[C@@H](O)c2ccc(F)c(F)c2)C[C@@H]1O ZINC001246026226 807124332 /nfs/dbraw/zinc/12/43/32/807124332.db2.gz ZTZHCZDCKXXBIY-BIMULSAOSA-N 2 2 272.295 0.250 20 0 CCADLP c1ccc2c(c1)n[nH]c2CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234981841 806326522 /nfs/dbraw/zinc/32/65/22/806326522.db2.gz MALJUEOURIZDSB-OAHLLOKOSA-N 2 2 271.368 0.700 20 0 CCADLP S=C1C=COC1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234992848 806340027 /nfs/dbraw/zinc/34/00/27/806340027.db2.gz TYVKPAGBDDUVJM-GFCCVEGCSA-N 2 2 253.371 0.706 20 0 CCADLP Cc1cc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc(C)n1 ZINC001235063105 806365225 /nfs/dbraw/zinc/36/52/25/806365225.db2.gz ODHZCSJBJSHRMI-OAHLLOKOSA-N 2 2 260.385 0.836 20 0 CCADLP Cc1cc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc(C)n1 ZINC001235063105 806365235 /nfs/dbraw/zinc/36/52/35/806365235.db2.gz ODHZCSJBJSHRMI-OAHLLOKOSA-N 2 2 260.385 0.836 20 0 CCADLP CN1C[C@]2(CC1=O)CCCC[N@@H+]2C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235521666 806443621 /nfs/dbraw/zinc/44/36/21/806443621.db2.gz OTDJQVUCANNTDJ-SWLSCSKDSA-N 2 2 281.400 0.798 20 0 CCADLP CN1C[C@]2(CC1=O)CCCC[N@H+]2C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235521666 806443627 /nfs/dbraw/zinc/44/36/27/806443627.db2.gz OTDJQVUCANNTDJ-SWLSCSKDSA-N 2 2 281.400 0.798 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1C[C@@H]2COC[C@]2(COc2cccnc2)C1 ZINC001235549831 806452970 /nfs/dbraw/zinc/45/29/70/806452970.db2.gz JLLJBVOCDKUIBW-GUTXKFCHSA-N 2 2 277.368 0.756 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1C[C@@H]2COC[C@]2(COc2cccnc2)C1 ZINC001235549831 806452978 /nfs/dbraw/zinc/45/29/78/806452978.db2.gz JLLJBVOCDKUIBW-GUTXKFCHSA-N 2 2 277.368 0.756 20 0 CCADLP OCCCC[N@@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001235553084 806455589 /nfs/dbraw/zinc/45/55/89/806455589.db2.gz UJCVJKPRRJWEDG-UHFFFAOYSA-N 2 2 290.371 0.501 20 0 CCADLP OCCCC[N@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001235553084 806455595 /nfs/dbraw/zinc/45/55/95/806455595.db2.gz UJCVJKPRRJWEDG-UHFFFAOYSA-N 2 2 290.371 0.501 20 0 CCADLP C[C@@H]([NH3+])C[N@H+]1C[C@@H]2C[C@@H](CN(C(=O)c3cscn3)C2)C1 ZINC001235660100 806485002 /nfs/dbraw/zinc/48/50/02/806485002.db2.gz IQPAOYYFEJRMPN-UTUOFQBUSA-N 2 2 294.424 0.884 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+]1C[C@@H]2C[C@@H](CN(C(=O)c3cscn3)C2)C1 ZINC001235660100 806485006 /nfs/dbraw/zinc/48/50/06/806485006.db2.gz IQPAOYYFEJRMPN-UTUOFQBUSA-N 2 2 294.424 0.884 20 0 CCADLP [NH3+][C@H]1NC(CN2CC[NH2+]C[C@@H]2Cc2ccccc2)=CS1 ZINC001235847413 806508456 /nfs/dbraw/zinc/50/84/56/806508456.db2.gz HYNQLHVARLTTAL-GJZGRUSLSA-N 2 2 290.436 0.923 20 0 CCADLP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1CN1CC[NH2+]C2(CC2)C1 ZINC001235932411 806518774 /nfs/dbraw/zinc/51/87/74/806518774.db2.gz JRVMFWLWLSUOPB-WDEREUQCSA-N 2 2 259.344 0.915 20 0 CCADLP CCc1nccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])n1 ZINC001235992049 806524134 /nfs/dbraw/zinc/52/41/34/806524134.db2.gz JPGCWRJPXPQXDT-BVUQATHDSA-N 2 2 262.357 0.445 20 0 CCADLP CCc1nccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])n1 ZINC001235992049 806524136 /nfs/dbraw/zinc/52/41/36/806524136.db2.gz JPGCWRJPXPQXDT-BVUQATHDSA-N 2 2 262.357 0.445 20 0 CCADLP CCOC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCC[NH2+]C2)C1 ZINC001246092076 807151621 /nfs/dbraw/zinc/15/16/21/807151621.db2.gz RUFVEFJUMLZOFW-VXGBXAGGSA-N 2 2 255.362 0.949 20 0 CCADLP COC(=O)[C@@H]1C[NH2+]CCN1Cc1ccn2cc[nH+]c2c1 ZINC001236055718 806537670 /nfs/dbraw/zinc/53/76/70/806537670.db2.gz ZEOSODMIFVUSDH-LBPRGKRZSA-N 2 2 274.324 0.281 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC[C@]3(CCC(=O)O3)C2)O1 ZINC001236157427 806545355 /nfs/dbraw/zinc/54/53/55/806545355.db2.gz HNSBAXDVHRBMDA-FZMZJTMJSA-N 2 2 268.357 0.883 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC[C@]3(CCC(=O)O3)C2)O1 ZINC001236157427 806545358 /nfs/dbraw/zinc/54/53/58/806545358.db2.gz HNSBAXDVHRBMDA-FZMZJTMJSA-N 2 2 268.357 0.883 20 0 CCADLP CC1(C)[NH2+]C[C@@H](CN2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)O1 ZINC001236617393 806599295 /nfs/dbraw/zinc/59/92/95/806599295.db2.gz VDDKMQLLFGHARP-JSGCOSHPSA-N 3 2 282.432 0.208 20 0 CCADLP CC1(C)[NH2+]C[C@@H](CN2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)O1 ZINC001236617393 806599302 /nfs/dbraw/zinc/59/93/02/806599302.db2.gz VDDKMQLLFGHARP-JSGCOSHPSA-N 3 2 282.432 0.208 20 0 CCADLP CC[C@H]([NH3+])C[N@H+](C)CC1=C2CCOC(=O)C2=CN[C@H]1C ZINC001236866095 806615501 /nfs/dbraw/zinc/61/55/01/806615501.db2.gz RZQSJSWINCPQFX-QWRGUYRKSA-N 2 2 279.384 0.775 20 0 CCADLP CC[C@H]([NH3+])C[N@@H+](C)CC1=C2CCOC(=O)C2=CN[C@H]1C ZINC001236866095 806615505 /nfs/dbraw/zinc/61/55/05/806615505.db2.gz RZQSJSWINCPQFX-QWRGUYRKSA-N 2 2 279.384 0.775 20 0 CCADLP C[C@@H](F)CCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001120535440 798852385 /nfs/dbraw/zinc/85/23/85/798852385.db2.gz DMDFFPCJNWONEJ-SNVBAGLBSA-N 2 2 260.357 0.457 20 0 CCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@H]1[NH3+] ZINC001121896139 799086425 /nfs/dbraw/zinc/08/64/25/799086425.db2.gz GKFYZHPIPWJTFL-NXEZZACHSA-N 2 2 250.346 0.883 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)C[C@H]([NH3+])C(F)F ZINC001121990957 799114875 /nfs/dbraw/zinc/11/48/75/799114875.db2.gz JEMCLQHZTFIRAD-VIFPVBQESA-N 2 2 267.320 0.053 20 0 CCADLP COCC[N@@H+](C)CCCNC(=O)C[C@H]([NH3+])C(F)F ZINC001121990957 799114878 /nfs/dbraw/zinc/11/48/78/799114878.db2.gz JEMCLQHZTFIRAD-VIFPVBQESA-N 2 2 267.320 0.053 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)C1=CC[C@H]([NH3+])C1 ZINC001122173276 799161238 /nfs/dbraw/zinc/16/12/38/799161238.db2.gz ILHFUKLMJGMNQZ-QWHCGFSZSA-N 2 2 267.373 0.261 20 0 CCADLP CC(C)(C(=O)N1CC[C@@H](CC[NH3+])C1)c1c[nH+]c[nH]1 ZINC001122212507 799171399 /nfs/dbraw/zinc/17/13/99/799171399.db2.gz RXJQFGRBCRWJHH-SNVBAGLBSA-N 2 2 250.346 0.885 20 0 CCADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1CC[NH2+]C1 ZINC001122215513 799171876 /nfs/dbraw/zinc/17/18/76/799171876.db2.gz YQWDNIVVBARGFG-IJLUTSLNSA-N 2 2 262.357 0.734 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC001122238820 799176985 /nfs/dbraw/zinc/17/69/85/799176985.db2.gz IVDOKESCPQYJOV-OLZOCXBDSA-N 3 2 268.405 0.043 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC001122301622 799192252 /nfs/dbraw/zinc/19/22/52/799192252.db2.gz IUMYZDCIGQENRF-GMTAPVOTSA-N 2 2 250.346 0.642 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC001122301622 799192253 /nfs/dbraw/zinc/19/22/53/799192253.db2.gz IUMYZDCIGQENRF-GMTAPVOTSA-N 2 2 250.346 0.642 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CCCCC[NH2+]1 ZINC001122305999 799193462 /nfs/dbraw/zinc/19/34/62/799193462.db2.gz XGMANTJJFOXOEA-GFCCVEGCSA-N 2 2 250.346 0.922 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@]1(C)CC[NH2+]C1 ZINC001122615077 799275166 /nfs/dbraw/zinc/27/51/66/799275166.db2.gz IFGAMJKMYGVOOP-TZMCWYRMSA-N 2 2 269.389 0.165 20 0 CCADLP CN1CCC2(C[NH+](Cc3cccc4c[nH+]cn43)C2)C1=O ZINC001238109402 806752359 /nfs/dbraw/zinc/75/23/59/806752359.db2.gz FGGBYVVLVVMWSZ-UHFFFAOYSA-N 2 2 270.336 0.998 20 0 CCADLP CC[NH+](CC)CCN1CC[NH+](Cc2ccnnc2)CC1 ZINC001139980650 799860410 /nfs/dbraw/zinc/86/04/10/799860410.db2.gz WAIDKHDXMXTWKJ-UHFFFAOYSA-N 2 2 277.416 0.936 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](Cc2ccnnc2)CCC1=O ZINC001139983818 799861385 /nfs/dbraw/zinc/86/13/85/799861385.db2.gz LXXOKQRKMJMUOA-UHFFFAOYSA-N 2 2 277.372 0.073 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](Cc2ccnnc2)CCC1=O ZINC001139983818 799861390 /nfs/dbraw/zinc/86/13/90/799861390.db2.gz LXXOKQRKMJMUOA-UHFFFAOYSA-N 2 2 277.372 0.073 20 0 CCADLP OC[C@H]1C[N@H+](Cc2c[nH]c3cc[nH+]cc23)CC[C@@H]1O ZINC001140801808 799942448 /nfs/dbraw/zinc/94/24/48/799942448.db2.gz GITDQRBUQLRRLC-RISCZKNCSA-N 2 2 261.325 0.738 20 0 CCADLP OC[C@H]1C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CC[C@@H]1O ZINC001140801808 799942455 /nfs/dbraw/zinc/94/24/55/799942455.db2.gz GITDQRBUQLRRLC-RISCZKNCSA-N 2 2 261.325 0.738 20 0 CCADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3c(CO)cnc(C)c3O)C[C@@H]2C1 ZINC001140872202 799955166 /nfs/dbraw/zinc/95/51/66/799955166.db2.gz UAUWKDQJMMZSHL-OKILXGFUSA-N 2 2 291.395 0.971 20 0 CCADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3c(CO)cnc(C)c3O)C[C@@H]2C1 ZINC001140872202 799955169 /nfs/dbraw/zinc/95/51/69/799955169.db2.gz UAUWKDQJMMZSHL-OKILXGFUSA-N 2 2 291.395 0.971 20 0 CCADLP Cc1nccnc1C[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001140938162 799961699 /nfs/dbraw/zinc/96/16/99/799961699.db2.gz ZIDAKVFJCWIBAF-UHFFFAOYSA-N 2 2 277.416 0.854 20 0 CCADLP Cc1ncoc1C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001141050576 799977425 /nfs/dbraw/zinc/97/74/25/799977425.db2.gz CHERBJXTXRQYHR-UHFFFAOYSA-N 2 2 252.362 0.662 20 0 CCADLP Cc1ccc(S(=O)(=O)NCC[NH2+]CC[NH3+])cc1C ZINC001238839672 806812023 /nfs/dbraw/zinc/81/20/23/806812023.db2.gz VAZDICWTDVDHDV-UHFFFAOYSA-N 2 2 271.386 0.130 20 0 CCADLP CC(C)(C)[NH+]1CC(NS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC001238870809 806814632 /nfs/dbraw/zinc/81/46/32/806814632.db2.gz VAKFDOQMNIGUDB-UHFFFAOYSA-N 2 2 289.445 0.388 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]CC[C@@H]1CCOC1 ZINC001149571169 800276917 /nfs/dbraw/zinc/27/69/17/800276917.db2.gz RIOHPDQWVPANCT-CYBMUJFWSA-N 2 2 294.399 0.485 20 0 CCADLP CC[N@@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001150595915 800349955 /nfs/dbraw/zinc/34/99/55/800349955.db2.gz FQQZZNXVZWERDU-ZDUSSCGKSA-N 2 2 280.372 0.190 20 0 CCADLP CC[N@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001150595915 800349968 /nfs/dbraw/zinc/34/99/68/800349968.db2.gz FQQZZNXVZWERDU-ZDUSSCGKSA-N 2 2 280.372 0.190 20 0 CCADLP Cc1noc([C@H](C)[NH2+]CCNC(=O)Cn2cc[nH+]c2C)n1 ZINC001151147195 800404323 /nfs/dbraw/zinc/40/43/23/800404323.db2.gz HVSTXFHVGAJOOG-VIFPVBQESA-N 2 2 292.343 0.350 20 0 CCADLP C[C@H](O)C[NH2+]CCNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001152202582 800499802 /nfs/dbraw/zinc/49/98/02/800499802.db2.gz NRUWUNALSFBUFA-NSHDSACASA-N 2 2 297.424 0.193 20 0 CCADLP C[C@H](O)C[NH2+]CCNC(=O)C[N@H+]1CCc2sccc2C1 ZINC001152202582 800499809 /nfs/dbraw/zinc/49/98/09/800499809.db2.gz NRUWUNALSFBUFA-NSHDSACASA-N 2 2 297.424 0.193 20 0 CCADLP Cn1nccc1C[NH2+]CCNC(=O)CCCn1cc[nH+]c1 ZINC001153339439 800623573 /nfs/dbraw/zinc/62/35/73/800623573.db2.gz RNUKFLSSUWHQCV-UHFFFAOYSA-N 2 2 290.371 0.303 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CC[C@H]1CCCCO1 ZINC001153495806 800635894 /nfs/dbraw/zinc/63/58/94/800635894.db2.gz OFDQNBOZRJAFRI-CYBMUJFWSA-N 2 2 280.372 0.548 20 0 CCADLP CC[N@H+](CCO)[C@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001154093089 800719814 /nfs/dbraw/zinc/71/98/14/800719814.db2.gz RMTDSTKYBRNIOH-OLZOCXBDSA-N 2 2 294.399 0.264 20 0 CCADLP CC[N@@H+](CCO)[C@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001154093089 800719816 /nfs/dbraw/zinc/71/98/16/800719816.db2.gz RMTDSTKYBRNIOH-OLZOCXBDSA-N 2 2 294.399 0.264 20 0 CCADLP c1nc(CNc2ccc(N3CC[NH2+]CC3)c[nH+]2)no1 ZINC001154895708 800863177 /nfs/dbraw/zinc/86/31/77/800863177.db2.gz COIGOWYKLNUJOV-UHFFFAOYSA-N 2 2 260.301 0.486 20 0 CCADLP Cc1nc(NCc2nnc3n2CCC[NH2+]C3)c2c([nH+]1)CCC2 ZINC001155429095 800975090 /nfs/dbraw/zinc/97/50/90/800975090.db2.gz FRZFQJGUMNDPPH-UHFFFAOYSA-N 2 2 299.382 0.971 20 0 CCADLP Cc1nc(N(C)C)nc(NCC[C@@H]2CCOC23C[NH2+]C3)[nH+]1 ZINC001155475728 800985832 /nfs/dbraw/zinc/98/58/32/800985832.db2.gz BHXZDIHCNFUKGP-LLVKDONJSA-N 2 2 292.387 0.427 20 0 CCADLP CN(C)c1cc(NCc2noc3c2C[NH2+]CC3)[nH+]cn1 ZINC001155494630 800990558 /nfs/dbraw/zinc/99/05/58/800990558.db2.gz FBSZTLWJFINBLE-UHFFFAOYSA-N 2 2 274.328 0.788 20 0 CCADLP [NH3+][C@H]1CN(Cc2cn3c(n2)C[NH2+]CC3)CCC1(F)F ZINC001206658347 801038237 /nfs/dbraw/zinc/03/82/37/801038237.db2.gz WDVQHOYFFKKDGY-JTQLQIEISA-N 2 2 271.315 0.155 20 0 CCADLP CCCN(CCC)c1cc(N(CC[NH3+])CCO)nc[nH+]1 ZINC001155952288 801084311 /nfs/dbraw/zinc/08/43/11/801084311.db2.gz FRDRPRCZKMYRLZ-UHFFFAOYSA-N 2 2 281.404 0.860 20 0 CCADLP C[C@@H]1CCCN(c2cc(N(CC[NH3+])CCO)nc[nH+]2)C1 ZINC001155953896 801085151 /nfs/dbraw/zinc/08/51/51/801085151.db2.gz SMICWNJATPJRPG-GFCCVEGCSA-N 2 2 279.388 0.470 20 0 CCADLP CC[N@H+](CCF)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001156942469 801267406 /nfs/dbraw/zinc/26/74/06/801267406.db2.gz TVKVQXPWUHIWRE-LLVKDONJSA-N 2 2 270.352 0.988 20 0 CCADLP CC[N@@H+](CCF)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001156942469 801267410 /nfs/dbraw/zinc/26/74/10/801267410.db2.gz TVKVQXPWUHIWRE-LLVKDONJSA-N 2 2 270.352 0.988 20 0 CCADLP N=c1cc(C[NH3+])ccn1C(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156975758 801276832 /nfs/dbraw/zinc/27/68/32/801276832.db2.gz TUSANIPXKZFGGJ-UHFFFAOYSA-N 2 2 282.307 0.573 20 0 CCADLP Cc1cc(N(C(N)=[NH2+])C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)n[nH]1 ZINC001157439559 801382081 /nfs/dbraw/zinc/38/20/81/801382081.db2.gz KDGPVJIVYGBMMX-LBPRGKRZSA-N 2 2 298.350 0.659 20 0 CCADLP [NH3+][C@H]1CN(C(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)C[C@H]1F ZINC001157531821 801407215 /nfs/dbraw/zinc/40/72/15/801407215.db2.gz RMMDYUGRLHMHOH-XQQFMLRXSA-N 2 2 292.358 0.806 20 0 CCADLP CN(C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)C1CC(F)(F)C1 ZINC001157564232 801420595 /nfs/dbraw/zinc/42/05/95/801420595.db2.gz FPKKARNJGDPMBS-UJNFCWOMSA-N 2 2 259.300 0.192 20 0 CCADLP CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001157678997 801453318 /nfs/dbraw/zinc/45/33/18/801453318.db2.gz LQXABRWOFLFOQW-NEPJUHHUSA-N 2 2 291.351 0.105 20 0 CCADLP COC1(C)CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001157688865 801456103 /nfs/dbraw/zinc/45/61/03/801456103.db2.gz MEJFJRWSRFORQN-NSHDSACASA-N 2 2 266.345 0.307 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC(F)(F)CC1 ZINC001157708027 801461027 /nfs/dbraw/zinc/46/10/27/801461027.db2.gz GCGOUPFPWUCZHO-JTQLQIEISA-N 2 2 272.299 0.927 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2CCOCC(F)(F)C2)cc1 ZINC001157708566 801461148 /nfs/dbraw/zinc/46/11/48/801461148.db2.gz WLCWYXPUWODEIY-GFCCVEGCSA-N 2 2 299.321 0.753 20 0 CCADLP C[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@@H]1[NH3+] ZINC001157792948 801486655 /nfs/dbraw/zinc/48/66/55/801486655.db2.gz JLPDSRFXMLKUHB-UTUOFQBUSA-N 2 2 262.357 0.641 20 0 CCADLP COC(=O)c1cc(F)cnc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001157914387 801518917 /nfs/dbraw/zinc/51/89/17/801518917.db2.gz FNANRZBGXMHMOU-UHFFFAOYSA-N 2 2 295.318 0.601 20 0 CCADLP C[C@]1(F)CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C[C@H]1F ZINC001157922801 801522237 /nfs/dbraw/zinc/52/22/37/801522237.db2.gz YMZYQMBCBXEALV-UMNHJUIQSA-N 2 2 272.299 0.578 20 0 CCADLP CC1(C)CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)[C@](C)(CO)C1 ZINC001157923467 801522360 /nfs/dbraw/zinc/52/23/60/801522360.db2.gz DMUJYAVYXXZWHY-FZMZJTMJSA-N 2 2 280.372 0.289 20 0 CCADLP O=C(N1CCC(OC2CCC2)CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157960011 801540675 /nfs/dbraw/zinc/54/06/75/801540675.db2.gz GUTQJJKVTBAJNR-WBMJQRKESA-N 2 2 293.411 0.498 20 0 CCADLP c1cc(NCC2OCCO2)[nH+]cc1N1CC[NH2+]CC1 ZINC001158201147 801590490 /nfs/dbraw/zinc/59/04/90/801590490.db2.gz LNTAHIYLMFEHPU-UHFFFAOYSA-N 2 2 264.329 0.276 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccnc(C2CC2)n1 ZINC001158206176 801593706 /nfs/dbraw/zinc/59/37/06/801593706.db2.gz BGZJSIVXXMQELI-SNVBAGLBSA-N 2 2 259.313 0.402 20 0 CCADLP Cc1nc(Cl)cnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158206744 801594073 /nfs/dbraw/zinc/59/40/73/801594073.db2.gz ZJOOVMITMTUVIL-MRVPVSSYSA-N 2 2 267.720 0.486 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc(-c2ccccn2)nn1 ZINC001158209107 801595387 /nfs/dbraw/zinc/59/53/87/801595387.db2.gz GCXVQAIIFNFHFU-LLVKDONJSA-N 2 2 296.334 0.586 20 0 CCADLP C[NH+]1CCN(c2cccc(N[C@H]3COC(=O)C3)[nH+]2)CC1 ZINC001158249161 801602266 /nfs/dbraw/zinc/60/22/66/801602266.db2.gz XCNFVYHNQOLYTP-LLVKDONJSA-N 2 2 276.340 0.561 20 0 CCADLP CCOc1ccc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)nn1 ZINC001158258538 801606300 /nfs/dbraw/zinc/60/63/00/801606300.db2.gz BSZIMFMADTVNCD-LBPRGKRZSA-N 2 2 291.399 0.877 20 0 CCADLP CCOc1ccc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)nn1 ZINC001158258538 801606306 /nfs/dbraw/zinc/60/63/06/801606306.db2.gz BSZIMFMADTVNCD-LBPRGKRZSA-N 2 2 291.399 0.877 20 0 CCADLP COc1ccc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)nn1 ZINC001158259818 801609201 /nfs/dbraw/zinc/60/92/01/801609201.db2.gz VURWFDVMEGIIOT-LLVKDONJSA-N 2 2 277.372 0.487 20 0 CCADLP COc1ccc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)nn1 ZINC001158259818 801609209 /nfs/dbraw/zinc/60/92/09/801609209.db2.gz VURWFDVMEGIIOT-LLVKDONJSA-N 2 2 277.372 0.487 20 0 CCADLP NC(=O)c1cccnc1N1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158259668 801609225 /nfs/dbraw/zinc/60/92/25/801609225.db2.gz UWYROWXERHKNOK-NSHDSACASA-N 2 2 289.383 0.182 20 0 CCADLP NC(=O)c1cccnc1N1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158259668 801609231 /nfs/dbraw/zinc/60/92/31/801609231.db2.gz UWYROWXERHKNOK-NSHDSACASA-N 2 2 289.383 0.182 20 0 CCADLP COCC[NH+]1CCN(C(=O)C23CCC([NH3+])(CC2)CC3)CC1 ZINC001158603570 801670270 /nfs/dbraw/zinc/67/02/70/801670270.db2.gz HDABBBYYOZZRHD-UHFFFAOYSA-N 2 2 295.427 0.829 20 0 CCADLP C[NH+](C)Cc1ccnc(NC[C@@H]2COCC[N@@H+]2C)c1 ZINC001158711282 801690606 /nfs/dbraw/zinc/69/06/06/801690606.db2.gz RASGNAANZVBCEB-CYBMUJFWSA-N 2 2 264.373 0.886 20 0 CCADLP C[NH+](C)Cc1ccnc(NC[C@@H]2COCC[N@H+]2C)c1 ZINC001158711282 801690612 /nfs/dbraw/zinc/69/06/12/801690612.db2.gz RASGNAANZVBCEB-CYBMUJFWSA-N 2 2 264.373 0.886 20 0 CCADLP C[C@@H](O)C[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001158955660 801728393 /nfs/dbraw/zinc/72/83/93/801728393.db2.gz QCDYQBKEBANENS-ZIAGYGMSSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001158955660 801728398 /nfs/dbraw/zinc/72/83/98/801728398.db2.gz QCDYQBKEBANENS-ZIAGYGMSSA-N 2 2 294.399 0.577 20 0 CCADLP Cn1cc(C[NH2+]CCCNC(=O)CCc2c[nH]c[nH+]2)cn1 ZINC001159526682 801830492 /nfs/dbraw/zinc/83/04/92/801830492.db2.gz FLZXFYBYKQSXLR-UHFFFAOYSA-N 2 2 290.371 0.372 20 0 CCADLP Cn1cc(C[NH2+]CCCNC(=O)CCc2c[nH+]c[nH]2)cn1 ZINC001159526682 801830499 /nfs/dbraw/zinc/83/04/99/801830499.db2.gz FLZXFYBYKQSXLR-UHFFFAOYSA-N 2 2 290.371 0.372 20 0 CCADLP [NH3+]Cc1nccnc1Nc1nccc(C2CC[NH2+]CC2)n1 ZINC001160245883 801923174 /nfs/dbraw/zinc/92/31/74/801923174.db2.gz NKFKYLGCIWKESK-UHFFFAOYSA-N 2 2 285.355 0.936 20 0 CCADLP O=C([C@@H]1COCC[NH2+]1)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001160461545 801944941 /nfs/dbraw/zinc/94/49/41/801944941.db2.gz SLGLIHKRXHBTGD-KBPBESRZSA-N 2 2 281.400 0.452 20 0 CCADLP CC(C)N(CC1CC1)C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160482873 801948653 /nfs/dbraw/zinc/94/86/53/801948653.db2.gz BOLXHYZVQQLKOA-TZMCWYRMSA-N 2 2 251.374 0.585 20 0 CCADLP [NH3+][C@H]1CC[C@@H]1C(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC001160484086 801948891 /nfs/dbraw/zinc/94/88/91/801948891.db2.gz YFARODABNJWBFD-GJZGRUSLSA-N 2 2 288.395 0.506 20 0 CCADLP CC(=O)NC[C@H](C)CNc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001160656005 801991328 /nfs/dbraw/zinc/99/13/28/801991328.db2.gz LHNBZTVAMUZGDI-LBPRGKRZSA-N 2 2 291.399 0.675 20 0 CCADLP CC(C)[C@H]1COCCN1C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001160669456 801995724 /nfs/dbraw/zinc/99/57/24/801995724.db2.gz FISHCMXNMQNNCA-VXGBXAGGSA-N 2 2 266.345 0.163 20 0 CCADLP [NH3+]C1(C(=O)N2CCC[C@@H]2c2nccs2)CC[NH2+]CC1 ZINC001160686057 802000048 /nfs/dbraw/zinc/00/00/48/802000048.db2.gz NFXIVBZNWNFIMF-SNVBAGLBSA-N 2 2 280.397 0.888 20 0 CCADLP CN(Cc1nc2ccccc2o1)C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001160722612 802010747 /nfs/dbraw/zinc/01/07/47/802010747.db2.gz QULOXDKXNNCKCD-UHFFFAOYSA-N 2 2 288.351 0.867 20 0 CCADLP O=C(C[C@@H]1CCC[NH2+]C1)N1CCc2[nH+]ccn2CC1 ZINC001160760114 802016614 /nfs/dbraw/zinc/01/66/14/802016614.db2.gz DCVBBUMBZQKUGL-LBPRGKRZSA-N 2 2 262.357 0.658 20 0 CCADLP O=C(N1CCC[C@@H]1c1ccccn1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160936370 802049330 /nfs/dbraw/zinc/04/93/30/802049330.db2.gz VVKHQKPOPQLATR-JGGQBBKZSA-N 2 2 286.379 0.697 20 0 CCADLP Cc1ccc(CN(C)C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc1C ZINC001161097220 802089777 /nfs/dbraw/zinc/08/97/77/802089777.db2.gz WSGCOYWHYIGDAN-KBPBESRZSA-N 2 2 261.369 0.809 20 0 CCADLP CNC(=O)C[NH+]1CCC(Nc2ccc(N)c[nH+]2)CC1 ZINC001161137163 802100081 /nfs/dbraw/zinc/10/00/81/802100081.db2.gz IYAZESYDFYOFTJ-UHFFFAOYSA-N 2 2 263.345 0.286 20 0 CCADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)C[C@@H]([NH3+])C(C)(C)C ZINC001161236103 802114253 /nfs/dbraw/zinc/11/42/53/802114253.db2.gz AWUNIVPAJLZYEY-GHMZBOCLSA-N 2 2 285.388 0.066 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)C[C@@H]([NH3+])C(C)(C)C ZINC001161236103 802114257 /nfs/dbraw/zinc/11/42/57/802114257.db2.gz AWUNIVPAJLZYEY-GHMZBOCLSA-N 2 2 285.388 0.066 20 0 CCADLP COc1cc(N2CCN(C(=O)C3([NH3+])CC3)CC2)cc[nH+]1 ZINC001161306673 802122561 /nfs/dbraw/zinc/12/25/61/802122561.db2.gz VLRMZVOKTDWWRC-UHFFFAOYSA-N 2 2 276.340 0.230 20 0 CCADLP CCOCC[NH2+]CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001161308734 802124302 /nfs/dbraw/zinc/12/43/02/802124302.db2.gz FEDVAMZZAMHKMS-ZDUSSCGKSA-N 2 2 294.399 0.578 20 0 CCADLP CCN(C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)[C@@H]1CCC[NH2+]C1 ZINC001161345168 802134838 /nfs/dbraw/zinc/13/48/38/802134838.db2.gz ASYZJRUJQSKKIW-HUUCEWRRSA-N 3 2 290.411 0.859 20 0 CCADLP CC(C)N(C(=O)[C@H]1C[NH2+]CC(F)(F)C1)[C@H]1CC[NH2+]C1 ZINC001161351575 802136716 /nfs/dbraw/zinc/13/67/16/802136716.db2.gz KIJZFEZOKSJIDX-MNOVXSKESA-N 2 2 275.343 0.830 20 0 CCADLP Cn1ccc2c1cc[nH+]c2-n1cc(C[NH3+])cnc1=N ZINC001161414560 802147761 /nfs/dbraw/zinc/14/77/61/802147761.db2.gz BFVKKZPNHMHUIY-UHFFFAOYSA-N 2 2 254.297 0.697 20 0 CCADLP O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CC[N@@H+]2CC[C@H]2C1 ZINC001161422059 802152139 /nfs/dbraw/zinc/15/21/39/802152139.db2.gz YWMYAWZWXIIOCL-LSDHHAIUSA-N 2 2 271.364 0.617 20 0 CCADLP O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CC[N@H+]2CC[C@H]2C1 ZINC001161422059 802152146 /nfs/dbraw/zinc/15/21/46/802152146.db2.gz YWMYAWZWXIIOCL-LSDHHAIUSA-N 2 2 271.364 0.617 20 0 CCADLP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001161471217 802159294 /nfs/dbraw/zinc/15/92/94/802159294.db2.gz NJJIJZHVALCJBD-QNWHQSFQSA-N 2 2 299.365 0.784 20 0 CCADLP Cc1cc[nH+]c(NCCC[NH2+]CCCC[NH3+])c1C(N)=O ZINC001162289845 802300829 /nfs/dbraw/zinc/30/08/29/802300829.db2.gz AHMZZYQOTXGILI-UHFFFAOYSA-N 3 2 279.388 0.619 20 0 CCADLP Cc1[nH+]ccn1-c1cncc(-n2cnc(C[NH3+])c2)n1 ZINC001162298290 802304823 /nfs/dbraw/zinc/30/48/23/802304823.db2.gz CVCMUIWHQSIPRD-UHFFFAOYSA-N 2 2 255.285 0.615 20 0 CCADLP C[NH+](C)Cc1ccc(NC[C@@H]2C[N@H+](C)CCO2)nc1 ZINC001162682237 802388294 /nfs/dbraw/zinc/38/82/94/802388294.db2.gz AHPPCQUSFYCFAO-CYBMUJFWSA-N 2 2 264.373 0.886 20 0 CCADLP C[NH+](C)Cc1ccc(NC[C@@H]2C[N@@H+](C)CCO2)nc1 ZINC001162682237 802388297 /nfs/dbraw/zinc/38/82/97/802388297.db2.gz AHPPCQUSFYCFAO-CYBMUJFWSA-N 2 2 264.373 0.886 20 0 CCADLP C[N@@H+]1CCO[C@H](CNc2ccc3c([nH+]2)NCCO3)C1 ZINC001162690013 802398267 /nfs/dbraw/zinc/39/82/67/802398267.db2.gz RZJZVIIPAQBTAT-SNVBAGLBSA-N 2 2 264.329 0.628 20 0 CCADLP C[N@H+]1CCO[C@H](CNc2ccc3c([nH+]2)NCCO3)C1 ZINC001162690013 802398276 /nfs/dbraw/zinc/39/82/76/802398276.db2.gz RZJZVIIPAQBTAT-SNVBAGLBSA-N 2 2 264.329 0.628 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNc2cc(O[C@@H]3CCOC3)cc[nH+]2)C1 ZINC001162693155 802400406 /nfs/dbraw/zinc/40/04/06/802400406.db2.gz BJVCKCBIVINAAV-KGLIPLIRSA-N 2 2 293.367 0.992 20 0 CCADLP C[N@H+]1CCO[C@@H](CNc2cc(O[C@@H]3CCOC3)cc[nH+]2)C1 ZINC001162693155 802400411 /nfs/dbraw/zinc/40/04/11/802400411.db2.gz BJVCKCBIVINAAV-KGLIPLIRSA-N 2 2 293.367 0.992 20 0 CCADLP Cc1nc(-n2cncn2)cc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)[nH+]1 ZINC001162800493 802421753 /nfs/dbraw/zinc/42/17/53/802421753.db2.gz BFUCIQBXWMUWNF-GRYCIOLGSA-N 2 2 283.339 0.552 20 0 CCADLP O=C1NC[C@H](CNc2ccc(N3CC[NH2+]CC3)c[nH+]2)O1 ZINC001163020264 802461480 /nfs/dbraw/zinc/46/14/80/802461480.db2.gz ZUFAZHZILBBSCM-NSHDSACASA-N 2 2 277.328 0.012 20 0 CCADLP CC(C)(C)OC(=O)[C@H]([NH3+])C1CN(c2[nH+]cccc2N)C1 ZINC001163117599 802486018 /nfs/dbraw/zinc/48/60/18/802486018.db2.gz KYQMFVRFANNCDF-LLVKDONJSA-N 2 2 278.356 0.769 20 0 CCADLP Cn1c[nH+]c2ccc(N[C@@H]3C[NH2+][C@@H]4COC[C@H]34)cc21 ZINC001163141735 802493287 /nfs/dbraw/zinc/49/32/87/802493287.db2.gz UVKQWDPKKZKSEH-RAIGVLPGSA-N 2 2 258.325 0.972 20 0 CCADLP Cc1nc2c(ccn2C)c(NC[C@]23C[NH2+]C[C@H]2COC3)[nH+]1 ZINC001163153429 802496784 /nfs/dbraw/zinc/49/67/84/802496784.db2.gz NKSOMJFDMSBNJN-NHYWBVRUSA-N 2 2 287.367 0.925 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCCC[NH2+]CC1CC1 ZINC001163274691 802526139 /nfs/dbraw/zinc/52/61/39/802526139.db2.gz CQBCZCFGONRWAI-HNNXBMFYSA-N 2 2 297.443 0.993 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCCC[NH2+]CC1CC1 ZINC001163274691 802526142 /nfs/dbraw/zinc/52/61/42/802526142.db2.gz CQBCZCFGONRWAI-HNNXBMFYSA-N 2 2 297.443 0.993 20 0 CCADLP CCC[NH2+]CCCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001163283723 802527107 /nfs/dbraw/zinc/52/71/07/802527107.db2.gz SRAOZPAFHXBJRM-HNNXBMFYSA-N 2 2 297.443 0.993 20 0 CCADLP CCC[NH2+]CCCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001163283723 802527109 /nfs/dbraw/zinc/52/71/09/802527109.db2.gz SRAOZPAFHXBJRM-HNNXBMFYSA-N 2 2 297.443 0.993 20 0 CCADLP Nc1cc(N[C@@H](CCCC[NH3+])C(=O)N2CCCC2)[nH+]cn1 ZINC001163456948 802560799 /nfs/dbraw/zinc/56/07/99/802560799.db2.gz DLEZQQOXWLQKSN-NSHDSACASA-N 2 2 292.387 0.591 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCC[NH2+]CC1CC1 ZINC001163594308 802574143 /nfs/dbraw/zinc/57/41/43/802574143.db2.gz VYTWRTHJYDUWTQ-UHFFFAOYSA-N 2 2 250.346 0.779 20 0 CCADLP COC[C@@H](C)[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163598869 802575469 /nfs/dbraw/zinc/57/54/69/802575469.db2.gz HSJAFLNLLWYYFU-GFCCVEGCSA-N 2 2 268.361 0.404 20 0 CCADLP CCOCC[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163599775 802575947 /nfs/dbraw/zinc/57/59/47/802575947.db2.gz WEZIBCORYFNHQJ-UHFFFAOYSA-N 2 2 268.361 0.406 20 0 CCADLP CCNC(=O)CN(C)c1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001163914312 802632034 /nfs/dbraw/zinc/63/20/34/802632034.db2.gz XVQJYZWPEUZQTQ-UHFFFAOYSA-N 2 2 277.372 0.064 20 0 CCADLP O=S1(=O)C=C[C@H](Nc2[nH+]cccc2N2CC[NH2+]CC2)C1 ZINC001164012545 802651274 /nfs/dbraw/zinc/65/12/74/802651274.db2.gz PLWWWGIEQNVLNK-NSHDSACASA-N 2 2 294.380 0.214 20 0 CCADLP [NH3+]CC1(F)CCN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)CC1 ZINC001165263230 802807021 /nfs/dbraw/zinc/80/70/21/802807021.db2.gz LNGBNXNIVXCCQG-UHFFFAOYSA-N 3 2 293.390 0.758 20 0 CCADLP COc1ccc(-n2c(C)[nH+]c3c2CC[NH2+]CC3)nn1 ZINC001165352034 802826411 /nfs/dbraw/zinc/82/64/11/802826411.db2.gz LTPWHNIYWFSPCN-UHFFFAOYSA-N 2 2 259.313 0.668 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCC1(C[NH2+]CCCO)CC1 ZINC001166474788 802908036 /nfs/dbraw/zinc/90/80/36/802908036.db2.gz WJVFNJCCUDJQEK-UHFFFAOYSA-N 2 2 294.399 0.532 20 0 CCADLP Cc1nn(C)cc1C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001204576758 803091089 /nfs/dbraw/zinc/09/10/89/803091089.db2.gz SWFJPJTTXUTBLF-UHFFFAOYSA-N 2 2 265.405 0.408 20 0 CCADLP COc1ccc(CC[N@H+](CC[NH3+])C[C@H](C)O)cc1 ZINC001204896939 803109103 /nfs/dbraw/zinc/10/91/03/803109103.db2.gz SOQAZBGDIZDQHX-LBPRGKRZSA-N 2 2 252.358 0.879 20 0 CCADLP COc1ccc(CC[N@@H+](CC[NH3+])C[C@H](C)O)cc1 ZINC001204896939 803109106 /nfs/dbraw/zinc/10/91/06/803109106.db2.gz SOQAZBGDIZDQHX-LBPRGKRZSA-N 2 2 252.358 0.879 20 0 CCADLP C[C@@H](CCCC(C)(C)O)CC[N@@H+]1C[C@@H]([NH3+])[C@H](O)C1 ZINC001205339070 803134956 /nfs/dbraw/zinc/13/49/56/803134956.db2.gz DQGBZOSZVZQVNP-YNEHKIRRSA-N 2 2 258.406 0.958 20 0 CCADLP C[C@@H](CCCC(C)(C)O)CC[N@H+]1C[C@@H]([NH3+])[C@H](O)C1 ZINC001205339070 803134961 /nfs/dbraw/zinc/13/49/61/803134961.db2.gz DQGBZOSZVZQVNP-YNEHKIRRSA-N 2 2 258.406 0.958 20 0 CCADLP CCn1cc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)cn1 ZINC001205557534 803148146 /nfs/dbraw/zinc/14/81/46/803148146.db2.gz UTCASNMSEDZNIX-CQSZACIVSA-N 2 2 293.415 0.545 20 0 CCADLP CCn1cc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)cn1 ZINC001205557534 803148151 /nfs/dbraw/zinc/14/81/51/803148151.db2.gz UTCASNMSEDZNIX-CQSZACIVSA-N 2 2 293.415 0.545 20 0 CCADLP Cc1cccn2c(CN3CC[C@@H]([NH3+])[C@H](O)C3)c[nH+]c12 ZINC001205953392 803190545 /nfs/dbraw/zinc/19/05/45/803190545.db2.gz XHSQPQLSXRRXSD-CHWSQXEVSA-N 2 2 260.341 0.537 20 0 CCADLP CC(C)NC(=O)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001205959356 803191789 /nfs/dbraw/zinc/19/17/89/803191789.db2.gz NUODFJCMXBAXRL-HUUCEWRRSA-N 2 2 291.395 0.719 20 0 CCADLP CC(C)NC(=O)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001205959356 803191793 /nfs/dbraw/zinc/19/17/93/803191793.db2.gz NUODFJCMXBAXRL-HUUCEWRRSA-N 2 2 291.395 0.719 20 0 CCADLP Cc1ncc(C[N@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)o1 ZINC001276486244 803195864 /nfs/dbraw/zinc/19/58/64/803195864.db2.gz XXRHLDPOKXEYCW-GJZGRUSLSA-N 2 2 294.399 0.430 20 0 CCADLP Cc1ncc(C[N@@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)o1 ZINC001276486244 803195876 /nfs/dbraw/zinc/19/58/76/803195876.db2.gz XXRHLDPOKXEYCW-GJZGRUSLSA-N 2 2 294.399 0.430 20 0 CCADLP Cn1nc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c2ccccc21 ZINC001206512291 803257174 /nfs/dbraw/zinc/25/71/74/803257174.db2.gz LFUZKHRQEKSSQU-HZMBPMFUSA-N 2 2 260.341 0.325 20 0 CCADLP Cn1nc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c2ccccc21 ZINC001206512291 803257178 /nfs/dbraw/zinc/25/71/78/803257178.db2.gz LFUZKHRQEKSSQU-HZMBPMFUSA-N 2 2 260.341 0.325 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(OC(F)F)c(O)c2)C[C@@H]1O ZINC001206525674 803259702 /nfs/dbraw/zinc/25/97/02/803259702.db2.gz YMRYKZOAXNIJQY-ONGXEEELSA-N 2 2 288.294 0.745 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(OC(F)F)c(O)c2)C[C@@H]1O ZINC001206525674 803259705 /nfs/dbraw/zinc/25/97/05/803259705.db2.gz YMRYKZOAXNIJQY-ONGXEEELSA-N 2 2 288.294 0.745 20 0 CCADLP CN1CC[NH+](CCCO[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)CC1 ZINC001206590231 803272127 /nfs/dbraw/zinc/27/21/27/803272127.db2.gz ILMVAQKGEAWZGY-NUEKZKHPSA-N 2 2 295.427 0.445 20 0 CCADLP CN1CC[NH+](CCCO[C@@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)CC1 ZINC001206590231 803272131 /nfs/dbraw/zinc/27/21/31/803272131.db2.gz ILMVAQKGEAWZGY-NUEKZKHPSA-N 2 2 295.427 0.445 20 0 CCADLP COC[C@@H](C)[NH2+]CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001206688241 803277714 /nfs/dbraw/zinc/27/77/14/803277714.db2.gz NCQYZILWZDAMQY-GFCCVEGCSA-N 2 2 294.399 0.815 20 0 CCADLP Cc1nccc(C[NH+]2CCN(CCC[NH+](C)C)CC2)n1 ZINC001207166731 803362751 /nfs/dbraw/zinc/36/27/51/803362751.db2.gz XBCNRYXOXHHHMF-UHFFFAOYSA-N 2 2 277.416 0.854 20 0 CCADLP CN1CCO[C@H]2C[N@H+](CC(C)(C)C[NH+](C)C)C[C@H]21 ZINC001207278851 803377024 /nfs/dbraw/zinc/37/70/24/803377024.db2.gz DOTXXOHHUPDGHT-OLZOCXBDSA-N 2 2 255.406 0.589 20 0 CCADLP CN1CCO[C@H]2C[N@@H+](CC(C)(C)C[NH+](C)C)C[C@H]21 ZINC001207278851 803377026 /nfs/dbraw/zinc/37/70/26/803377026.db2.gz DOTXXOHHUPDGHT-OLZOCXBDSA-N 2 2 255.406 0.589 20 0 CCADLP C[N@H+](C1CN(CC(C)(C)[NH+]2CCOCC2)C1)[C@H]1CCOC1 ZINC001207304214 803382433 /nfs/dbraw/zinc/38/24/33/803382433.db2.gz MOUQSWHSTXKPDE-AWEZNQCLSA-N 2 2 297.443 0.502 20 0 CCADLP C[N@@H+](C1CN(CC(C)(C)[NH+]2CCOCC2)C1)[C@H]1CCOC1 ZINC001207304214 803382438 /nfs/dbraw/zinc/38/24/38/803382438.db2.gz MOUQSWHSTXKPDE-AWEZNQCLSA-N 2 2 297.443 0.502 20 0 CCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccon2)C[C@H]1C)[NH+](C)C ZINC001207697973 803438903 /nfs/dbraw/zinc/43/89/03/803438903.db2.gz PWULFPOZKOUTQQ-MRVWCRGKSA-N 2 2 294.399 0.951 20 0 CCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccon2)C[C@H]1C)[NH+](C)C ZINC001207697973 803438907 /nfs/dbraw/zinc/43/89/07/803438907.db2.gz PWULFPOZKOUTQQ-MRVWCRGKSA-N 2 2 294.399 0.951 20 0 CCADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1C)[NH+](C)C ZINC001208530456 803520828 /nfs/dbraw/zinc/52/08/28/803520828.db2.gz WFUZHIRXWOTYJD-JHJVBQTASA-N 2 2 273.396 0.979 20 0 CCADLP CC(C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1C)[NH+](C)C ZINC001208530456 803520834 /nfs/dbraw/zinc/52/08/34/803520834.db2.gz WFUZHIRXWOTYJD-JHJVBQTASA-N 2 2 273.396 0.979 20 0 CCADLP C[N@@H+]1CCC[C@H](C[NH+]2Cc3ccnn3CC[C@H]2CO)C1 ZINC001208619998 803529922 /nfs/dbraw/zinc/52/99/22/803529922.db2.gz ZYOWFQBTCZGZAO-ZFWWWQNUSA-N 2 2 278.400 0.792 20 0 CCADLP C[N@H+]1CCC[C@H](C[NH+]2Cc3ccnn3CC[C@H]2CO)C1 ZINC001208619998 803529926 /nfs/dbraw/zinc/52/99/26/803529926.db2.gz ZYOWFQBTCZGZAO-ZFWWWQNUSA-N 2 2 278.400 0.792 20 0 CCADLP C[NH+]1CCC[C@H](C[N@@H+]2Cc3ccnn3CC[C@H]2CO)C1 ZINC001208619998 803529928 /nfs/dbraw/zinc/52/99/28/803529928.db2.gz ZYOWFQBTCZGZAO-ZFWWWQNUSA-N 2 2 278.400 0.792 20 0 CCADLP C[NH+]1CCC[C@H](C[N@H+]2Cc3ccnn3CC[C@H]2CO)C1 ZINC001208619998 803529929 /nfs/dbraw/zinc/52/99/29/803529929.db2.gz ZYOWFQBTCZGZAO-ZFWWWQNUSA-N 2 2 278.400 0.792 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1C ZINC001209351047 803599239 /nfs/dbraw/zinc/59/92/39/803599239.db2.gz JVGZNPUFTDUHAR-OUCADQQQSA-N 2 2 294.399 0.407 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1C ZINC001209351047 803599241 /nfs/dbraw/zinc/59/92/41/803599241.db2.gz JVGZNPUFTDUHAR-OUCADQQQSA-N 2 2 294.399 0.407 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1C ZINC001209351047 803599243 /nfs/dbraw/zinc/59/92/43/803599243.db2.gz JVGZNPUFTDUHAR-OUCADQQQSA-N 2 2 294.399 0.407 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1C ZINC001209351047 803599248 /nfs/dbraw/zinc/59/92/48/803599248.db2.gz JVGZNPUFTDUHAR-OUCADQQQSA-N 2 2 294.399 0.407 20 0 CCADLP C[NH+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2csnn2)C1 ZINC001209446742 803604318 /nfs/dbraw/zinc/60/43/18/803604318.db2.gz URHVAWYCWBWWTM-LLVKDONJSA-N 2 2 297.428 0.570 20 0 CCADLP CCOCC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209837706 803632271 /nfs/dbraw/zinc/63/22/71/803632271.db2.gz RJQOTMXGRHFMLK-GFCCVEGCSA-N 2 2 280.372 0.569 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]CCCO ZINC001214814517 803759052 /nfs/dbraw/zinc/75/90/52/803759052.db2.gz YJEAODWRCYVBGC-DGCLKSJQSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]CCCO ZINC001214814517 803759057 /nfs/dbraw/zinc/75/90/57/803759057.db2.gz YJEAODWRCYVBGC-DGCLKSJQSA-N 2 2 280.372 0.161 20 0 CCADLP C[N@H+](C[C@@H](O)COc1ccccc1C#N)[C@@H](C[NH3+])C1CC1 ZINC000402212014 803816278 /nfs/dbraw/zinc/81/62/78/803816278.db2.gz MFEIPKNZMADOGB-CABCVRRESA-N 2 2 289.379 0.967 20 0 CCADLP C[N@@H+](C[C@@H](O)COc1ccccc1C#N)[C@@H](C[NH3+])C1CC1 ZINC000402212014 803816287 /nfs/dbraw/zinc/81/62/87/803816287.db2.gz MFEIPKNZMADOGB-CABCVRRESA-N 2 2 289.379 0.967 20 0 CCADLP C[C@@H]1C[C@@H]1c1nnc([C@@H]([NH3+])CN2CCC([NH3+])CC2)o1 ZINC001217757589 803911876 /nfs/dbraw/zinc/91/18/76/803911876.db2.gz OWVYLBWKPKCWAZ-MIMYLULJSA-N 2 2 265.361 0.616 20 0 CCADLP COc1nc(Cl)cc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)n1 ZINC001218516979 803980654 /nfs/dbraw/zinc/98/06/54/803980654.db2.gz DVPBQAMTOBSRNN-QHMRUWFYSA-N 2 2 297.746 0.299 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1nc2c(s1)CCC2 ZINC001218518357 803981525 /nfs/dbraw/zinc/98/15/25/803981525.db2.gz NNPBXSUYAJZHRE-UHFFFAOYSA-N 2 2 280.397 0.912 20 0 CCADLP COc1cc(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)ncn1 ZINC001218538122 803992707 /nfs/dbraw/zinc/99/27/07/803992707.db2.gz GXSPUBLQEFHRST-NSHDSACASA-N 2 2 287.323 0.696 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1cccnc1F ZINC001218544031 803996118 /nfs/dbraw/zinc/99/61/18/803996118.db2.gz BSJPWRZGWFOYNQ-VIFPVBQESA-N 2 2 263.276 0.463 20 0 CCADLP [NH3+]C1(C(=O)Nc2cncc(C(F)(F)F)n2)CC[NH2+]CC1 ZINC001218593395 804026313 /nfs/dbraw/zinc/02/63/13/804026313.db2.gz UJRYZKLCLVPXSN-UHFFFAOYSA-N 2 2 289.261 0.515 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cc(-c2ccncc2)c[nH]c1=O ZINC001218602719 804029802 /nfs/dbraw/zinc/02/98/02/804029802.db2.gz HBUMLUICIKYEBK-NSHDSACASA-N 2 2 287.323 0.464 20 0 CCADLP Nc1cc(Cl)cnc1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218628680 804044270 /nfs/dbraw/zinc/04/42/70/804044270.db2.gz KWROZKDLIWAMCA-UHFFFAOYSA-N 2 2 283.763 0.597 20 0 CCADLP COC(=O)c1cc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)cn1C ZINC001218631891 804047326 /nfs/dbraw/zinc/04/73/26/804047326.db2.gz MXYVZRUQAGACFE-JTQLQIEISA-N 2 2 291.311 0.043 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cn(CCF)cn1 ZINC001218742101 804104079 /nfs/dbraw/zinc/10/40/79/804104079.db2.gz DLOUYNOTJHOXIS-SECBINFHSA-N 2 2 266.280 0.084 20 0 CCADLP [NH3+]CCC[C@@H]([NH3+])C(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001218849273 804138758 /nfs/dbraw/zinc/13/87/58/804138758.db2.gz XWDQIILWRVRYAB-CQSZACIVSA-N 3 2 287.367 0.936 20 0 CCADLP Nc1cccc2cccc(NC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])c12 ZINC001218920960 804158157 /nfs/dbraw/zinc/15/81/57/804158157.db2.gz GXVSZUYUZGMPSI-JQWIXIFHSA-N 2 2 270.336 0.907 20 0 CCADLP O=C(Nc1cccc(N2CC[NH2+]CC2)c1)C1(F)C[NH2+]C1 ZINC001219116760 804206846 /nfs/dbraw/zinc/20/68/46/804206846.db2.gz PAUMKHMTENOLNY-UHFFFAOYSA-N 2 2 278.331 0.346 20 0 CCADLP Cn1ccc2cc(CNC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])ccc21 ZINC001219597059 804366175 /nfs/dbraw/zinc/36/61/75/804366175.db2.gz AMEWQOJFMJKMJK-STQMWFEESA-N 2 2 272.352 0.341 20 0 CCADLP C[C@H]1CC[NH2+][C@H](C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000313211452 804384979 /nfs/dbraw/zinc/38/49/79/804384979.db2.gz JQXKDIOYPCGRCQ-JQWIXIFHSA-N 2 2 250.346 0.467 20 0 CCADLP C[C@@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])c1nc2ccccc2[nH]1 ZINC001219701834 804409599 /nfs/dbraw/zinc/40/95/99/804409599.db2.gz RLJRDZMGOSXFLQ-UTLUCORTSA-N 2 2 273.340 0.287 20 0 CCADLP O=C(NCCOc1ccccc1F)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219936910 804451237 /nfs/dbraw/zinc/45/12/37/804451237.db2.gz YTSJOHLVSFEMMQ-ABAIWWIYSA-N 2 2 293.342 0.272 20 0 CCADLP C[C@H]1CCCC[N@@H+]1CCCNC(=O)C1(F)C[NH2+]C1 ZINC001220061834 804490967 /nfs/dbraw/zinc/49/09/67/804490967.db2.gz DNEFUMXRUCMWPX-NSHDSACASA-N 2 2 257.353 0.679 20 0 CCADLP C[C@H]1CCCC[N@H+]1CCCNC(=O)C1(F)C[NH2+]C1 ZINC001220061834 804490969 /nfs/dbraw/zinc/49/09/69/804490969.db2.gz DNEFUMXRUCMWPX-NSHDSACASA-N 2 2 257.353 0.679 20 0 CCADLP CC(C)(C)OC[C@H]([NH3+])C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC001220189030 804531685 /nfs/dbraw/zinc/53/16/85/804531685.db2.gz JXQYWPNJZNOINN-ZJUUUORDSA-N 2 2 293.358 0.490 20 0 CCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@@H]1CC[NH2+]C[C@H]1F ZINC001220189333 804531891 /nfs/dbraw/zinc/53/18/91/804531891.db2.gz PHDQQEKQBMVPKH-IVZWLZJFSA-N 2 2 279.306 0.295 20 0 CCADLP CC(C)(C)[C@H](CO)NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220217380 804538990 /nfs/dbraw/zinc/53/89/90/804538990.db2.gz XXYRHQAEWAKPAY-STQMWFEESA-N 2 2 279.384 0.782 20 0 CCADLP COc1cccc2c1CC[C@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C2 ZINC001220215332 804539028 /nfs/dbraw/zinc/53/90/28/804539028.db2.gz SAWDCZLOOHSNAH-DYEKYZERSA-N 2 2 289.379 0.358 20 0 CCADLP C=Cc1ccc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)cc1 ZINC001220219100 804540986 /nfs/dbraw/zinc/54/09/86/804540986.db2.gz PTCUCKMWJAUIFQ-GOEBONIOSA-N 2 2 271.364 0.897 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N[C@@H](CO)C(F)(F)F)cc1 ZINC001220448128 804605956 /nfs/dbraw/zinc/60/59/56/804605956.db2.gz XVNYBXYVMSPUSK-UWVGGRQHSA-N 2 2 291.273 0.298 20 0 CCADLP CC(C)[N@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001220520026 804618007 /nfs/dbraw/zinc/61/80/07/804618007.db2.gz KSLVZDFOLACSIB-UHTWSYAYSA-N 2 2 280.372 0.158 20 0 CCADLP CC(C)[N@@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001220520026 804618013 /nfs/dbraw/zinc/61/80/13/804618013.db2.gz KSLVZDFOLACSIB-UHTWSYAYSA-N 2 2 280.372 0.158 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1nccc(Cl)n1 ZINC001220530876 804621098 /nfs/dbraw/zinc/62/10/98/804621098.db2.gz ZWEPKPDARMRHLS-MRVPVSSYSA-N 2 2 280.719 0.039 20 0 CCADLP [NH3+]C1(C(=O)N[C@@H]2CNc3ccccc3C2)CC[NH2+]CC1 ZINC001220601692 804635979 /nfs/dbraw/zinc/63/59/79/804635979.db2.gz LZAHXBLARZORKP-LBPRGKRZSA-N 2 2 274.368 0.220 20 0 CCADLP COc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)CC2 ZINC001220634511 804640576 /nfs/dbraw/zinc/64/05/76/804640576.db2.gz OZGZWFATUORPDN-SWHYSGLUSA-N 2 2 275.352 0.488 20 0 CCADLP COc1cc(F)cc(CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)c1 ZINC001220665767 804645320 /nfs/dbraw/zinc/64/53/20/804645320.db2.gz KNBXFWOTJJQADQ-LEWSCRJBSA-N 2 2 293.342 0.400 20 0 CCADLP CCOC(=O)[C@H](NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)[C@@H](C)CC ZINC001220665935 804645626 /nfs/dbraw/zinc/64/56/26/804645626.db2.gz NKFJYLYBIINTDX-MVWJERBFSA-N 2 2 296.371 0.374 20 0 CCADLP CC(C)C[C@@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])c1ccccn1 ZINC001220718520 804655292 /nfs/dbraw/zinc/65/52/92/804655292.db2.gz BHWQNNGLHXOZMQ-SGMGOOAPSA-N 2 2 276.384 0.832 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)c1cccc(C[NH3+])c1 ZINC001220725342 804656567 /nfs/dbraw/zinc/65/65/67/804656567.db2.gz QKPYTXYTRYVRPQ-LBPRGKRZSA-N 2 2 277.368 0.596 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)c1cccc(C[NH3+])c1 ZINC001220725342 804656569 /nfs/dbraw/zinc/65/65/69/804656569.db2.gz QKPYTXYTRYVRPQ-LBPRGKRZSA-N 2 2 277.368 0.596 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])C1CCCCC1 ZINC001220725635 804656704 /nfs/dbraw/zinc/65/67/04/804656704.db2.gz VYGHQLIBUJEHDP-JSGCOSHPSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])C1CCCCC1 ZINC001220725635 804656710 /nfs/dbraw/zinc/65/67/10/804656710.db2.gz VYGHQLIBUJEHDP-JSGCOSHPSA-N 2 2 283.416 0.731 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCCc1cc(F)cc(F)c1 ZINC001220734203 804658287 /nfs/dbraw/zinc/65/82/87/804658287.db2.gz HLQUIRWTPAYOSG-RYUDHWBXSA-N 2 2 269.295 0.170 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](F)CC)C[C@@H]1O ZINC001220829609 804677180 /nfs/dbraw/zinc/67/71/80/804677180.db2.gz XKZMIDQTKRDYLG-UPJWGTAASA-N 2 2 289.395 0.238 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](F)CC)C[C@@H]1O ZINC001220829609 804677185 /nfs/dbraw/zinc/67/71/85/804677185.db2.gz XKZMIDQTKRDYLG-UPJWGTAASA-N 2 2 289.395 0.238 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](F)CC)C[C@@H]1O ZINC001220829609 804677192 /nfs/dbraw/zinc/67/71/92/804677192.db2.gz XKZMIDQTKRDYLG-UPJWGTAASA-N 2 2 289.395 0.238 20 0 CCADLP CCc1ccc(CN(CC[NH3+])C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc1 ZINC001220904760 804697041 /nfs/dbraw/zinc/69/70/41/804697041.db2.gz BJZDJQJHKIQSJY-CABCVRRESA-N 3 2 290.411 0.226 20 0 CCADLP CC1(C)C[C@H](CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CCO1 ZINC001220952875 804706289 /nfs/dbraw/zinc/70/62/89/804706289.db2.gz GZAZKBFCYNVMAJ-MROQNXINSA-N 2 2 281.400 0.258 20 0 CCADLP COc1ccccc1Cn1c[nH+]cc1CNC(=O)[C@@H](C)[NH3+] ZINC001220968857 804710801 /nfs/dbraw/zinc/71/08/01/804710801.db2.gz GKCOAJAONDWQRC-LLVKDONJSA-N 2 2 288.351 0.903 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1ccc(-c2ncccn2)cc1 ZINC001221082248 804728458 /nfs/dbraw/zinc/72/84/58/804728458.db2.gz NEVTWKYZHSRRQY-KBPBESRZSA-N 2 2 297.362 0.307 20 0 CCADLP CC(C)n1ccc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)cc1=O ZINC001221151113 804735660 /nfs/dbraw/zinc/73/56/60/804735660.db2.gz CIVRCEQQRQBJQR-GFCCVEGCSA-N 2 2 289.339 0.661 20 0 CCADLP CC(C)n1ccc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc1=O ZINC001221151454 804736219 /nfs/dbraw/zinc/73/62/19/804736219.db2.gz GKABRAYLYPUHJG-KOLCDFICSA-N 2 2 264.329 0.057 20 0 CCADLP [NH3+]C1(C(=O)NCc2cc3ccccn3n2)CC[NH2+]CC1 ZINC001221234007 804752634 /nfs/dbraw/zinc/75/26/34/804752634.db2.gz AABZFPZQVDJTSA-UHFFFAOYSA-N 2 2 273.340 0.031 20 0 CCADLP C[N@@H+]1CCC[C@@](C)(NC(=O)c2cnc(C[NH3+])s2)C1 ZINC001221243083 804754926 /nfs/dbraw/zinc/75/49/26/804754926.db2.gz DMTGDYROUZXIDP-GFCCVEGCSA-N 2 2 268.386 0.816 20 0 CCADLP C[N@H+]1CCC[C@@](C)(NC(=O)c2cnc(C[NH3+])s2)C1 ZINC001221243083 804754930 /nfs/dbraw/zinc/75/49/30/804754930.db2.gz DMTGDYROUZXIDP-GFCCVEGCSA-N 2 2 268.386 0.816 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221246315 804757645 /nfs/dbraw/zinc/75/76/45/804757645.db2.gz XOTAEMUKKPEFNB-DZGCQCFKSA-N 3 2 291.399 0.318 20 0 CCADLP CC(C)(C)OC(=O)C(C)(C)CNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001221305306 804771797 /nfs/dbraw/zinc/77/17/97/804771797.db2.gz CRMVUGSQENEBIL-UHFFFAOYSA-N 2 2 299.415 0.551 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@H](c2ccccc2)c2cccnn2)C1 ZINC001221383941 804797248 /nfs/dbraw/zinc/79/72/48/804797248.db2.gz BAFKHKUMMOXBCV-VHDGCEQUSA-N 2 2 297.362 0.371 20 0 CCADLP CC(C)[C@H](NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)c1cccnc1 ZINC001221382718 804797367 /nfs/dbraw/zinc/79/73/67/804797367.db2.gz OGFPFJCYNSPKPG-DZKIICNBSA-N 2 2 288.395 0.846 20 0 CCADLP CC(C)N(C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)C(C)(C)C[NH3+] ZINC001221394188 804799473 /nfs/dbraw/zinc/79/94/73/804799473.db2.gz JJDBFZZLSSMSRL-LLVKDONJSA-N 3 2 267.377 0.254 20 0 CCADLP Cc1cnc(CN2CC[NH2+]C3(CC[NH2+]CC3)C2)s1 ZINC001222090993 804866429 /nfs/dbraw/zinc/86/64/29/804866429.db2.gz LWIMZWKOXKQAOA-UHFFFAOYSA-N 2 2 266.414 0.979 20 0 CCADLP Cc1cc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)ns1 ZINC001222109482 804872044 /nfs/dbraw/zinc/87/20/44/804872044.db2.gz IQHSFEGNMYEYSI-UHFFFAOYSA-N 2 2 266.414 0.979 20 0 CCADLP Cc1cc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)ns1 ZINC001222109482 804872052 /nfs/dbraw/zinc/87/20/52/804872052.db2.gz IQHSFEGNMYEYSI-UHFFFAOYSA-N 2 2 266.414 0.979 20 0 CCADLP COc1ncnc(NCC[NH+]2CCC([NH3+])CC2)c1C ZINC000321364723 805017279 /nfs/dbraw/zinc/01/72/79/805017279.db2.gz BVQCYCPZMWYVHV-UHFFFAOYSA-N 2 2 265.361 0.629 20 0 CCADLP COC[C@@H](C)[NH+]1CCC(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001227715171 805384442 /nfs/dbraw/zinc/38/44/42/805384442.db2.gz PXPMELQHNNLZHY-GFCCVEGCSA-N 2 2 294.399 0.958 20 0 CCADLP COC[C@@H](C)[NH+]1CCC(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001227715171 805384451 /nfs/dbraw/zinc/38/44/51/805384451.db2.gz PXPMELQHNNLZHY-GFCCVEGCSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC[NH+](CCO)CC1 ZINC001229559528 805541978 /nfs/dbraw/zinc/54/19/78/805541978.db2.gz YAKPGNJDSITEEX-LLVKDONJSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC[NH+](CCO)CC1 ZINC001229559528 805541984 /nfs/dbraw/zinc/54/19/84/805541984.db2.gz YAKPGNJDSITEEX-LLVKDONJSA-N 2 2 280.372 0.161 20 0 CCADLP COCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001229683498 805548419 /nfs/dbraw/zinc/54/84/19/805548419.db2.gz WSDWOMNSKJXCKI-ZIAGYGMSSA-N 2 2 294.399 0.626 20 0 CCADLP C[C@](O)(C[NH2+]C[C@H]1CCC[NH2+]1)C(=O)OCc1ccccc1 ZINC001245983047 807106663 /nfs/dbraw/zinc/10/66/63/807106663.db2.gz RLPQPKMPXOKADK-ZBFHGGJFSA-N 2 2 292.379 0.822 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@@H]1[NH2+]C[C@@H](O)CCOCc1ccccc1 ZINC001245995995 807110097 /nfs/dbraw/zinc/11/00/97/807110097.db2.gz PQUALOANYLPFQP-JYJNAYRXSA-N 2 2 294.395 0.124 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246025876 807123641 /nfs/dbraw/zinc/12/36/41/807123641.db2.gz DHNRWNSFOPCSIM-LVQVYYBASA-N 3 2 295.402 0.679 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246025876 807123645 /nfs/dbraw/zinc/12/36/45/807123645.db2.gz DHNRWNSFOPCSIM-LVQVYYBASA-N 3 2 295.402 0.679 20 0 CCADLP CCOC(=O)CN1CCC([NH2+][C@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246080087 807145490 /nfs/dbraw/zinc/14/54/90/807145490.db2.gz DPUPBZFIEFUHRR-STQMWFEESA-N 2 2 287.379 0.304 20 0 CCADLP [NH3+]Cc1nc2ccccc2n1[C@H]1CC[NH2+]C2(CNC2)C1 ZINC001246099496 807152870 /nfs/dbraw/zinc/15/28/70/807152870.db2.gz XBZRFAZITLUEQJ-NSHDSACASA-N 2 2 271.368 0.762 20 0 CCADLP C([NH2+][C@@H]1CCSC1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246145140 807166155 /nfs/dbraw/zinc/16/61/55/807166155.db2.gz LSQKYVDHSSHBJR-VXGBXAGGSA-N 3 2 255.431 0.956 20 0 CCADLP c1ccc([C@@H]2[NH2+]CC[C@H]2[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246146080 807166414 /nfs/dbraw/zinc/16/64/14/807166414.db2.gz XXGBWWZQGZJXSN-XHSDSOJGSA-N 3 2 286.423 0.773 20 0 CCADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246168903 807173303 /nfs/dbraw/zinc/17/33/03/807173303.db2.gz GILHWJVVHSXLCC-ZDUSSCGKSA-N 3 2 254.422 0.402 20 0 CCADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246168903 807173309 /nfs/dbraw/zinc/17/33/09/807173309.db2.gz GILHWJVVHSXLCC-ZDUSSCGKSA-N 3 2 254.422 0.402 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H](NC[C@@H]2CCCC[NH2+]2)C[NH2+]1 ZINC001246181410 807179130 /nfs/dbraw/zinc/17/91/30/807179130.db2.gz UGJRHONWJVKKIS-SGMGOOAPSA-N 2 2 269.389 0.402 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@@]2(C)CCC[NH2+]C2)C[NH2+]1 ZINC001246190647 807181509 /nfs/dbraw/zinc/18/15/09/807181509.db2.gz QXXJRAPKLOJNLP-HUBLWGQQSA-N 2 2 283.416 0.790 20 0 CCADLP COC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246204089 807185542 /nfs/dbraw/zinc/18/55/42/807185542.db2.gz OLGZDHYJJCAWDZ-SRVKXCTJSA-N 3 2 257.378 0.387 20 0 CCADLP CC(C)[NH+]1CCN(CC[NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC001246238565 807195591 /nfs/dbraw/zinc/19/55/91/807195591.db2.gz PYDRKQCONBUOMH-AWEZNQCLSA-N 3 2 254.422 0.354 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C[NH3+])Cc2ccccc2)CN1 ZINC001246263418 807201637 /nfs/dbraw/zinc/20/16/37/807201637.db2.gz DMLUQAUXHILIGV-KFWWJZLASA-N 2 2 291.395 0.440 20 0 CCADLP CC[C@@]1(C(=O)OC)C[C@H](NC2(C[NH3+])CCCC2)C[NH2+]1 ZINC001246285606 807208524 /nfs/dbraw/zinc/20/85/24/807208524.db2.gz HPVCXBOTPXPFJD-FZMZJTMJSA-N 2 2 269.389 0.531 20 0 CCADLP O=C1CC[NH2+]C[C@@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001246293902 807209637 /nfs/dbraw/zinc/20/96/37/807209637.db2.gz PVXLNPKGTNBVDM-CABCVRRESA-N 2 2 273.380 0.782 20 0 CCADLP O=C1CC[NH2+]C[C@@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001246293902 807209649 /nfs/dbraw/zinc/20/96/49/807209649.db2.gz PVXLNPKGTNBVDM-CABCVRRESA-N 2 2 273.380 0.782 20 0 CCADLP COc1cccc2c1CC[C@H]([NH2+][C@H]1C[NH2+]C[C@H]1CO)C2 ZINC001246296775 807211546 /nfs/dbraw/zinc/21/15/46/807211546.db2.gz CKJVYDPMBOGVOU-YDHLFZDLSA-N 2 2 276.380 0.722 20 0 CCADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)CCS(=O)(=O)CCC(=O)OC ZINC001246311408 807218459 /nfs/dbraw/zinc/21/84/59/807218459.db2.gz CJHDPTNDTHCLSD-GHMZBOCLSA-N 2 2 294.417 0.070 20 0 CCADLP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246300664 807213726 /nfs/dbraw/zinc/21/37/26/807213726.db2.gz TXFGERGYZGBYEM-BFHYXJOUSA-N 3 2 295.427 0.649 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@@H]1[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001246312803 807218592 /nfs/dbraw/zinc/21/85/92/807218592.db2.gz YWYXYAQLIJIUNM-CFVMTHIKSA-N 2 2 264.344 0.853 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)CO1 ZINC001246356303 807231980 /nfs/dbraw/zinc/23/19/80/807231980.db2.gz GSPUCQJWAPZHRX-WOPDTQHZSA-N 2 2 256.346 0.439 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@H]2CC23C[NH2+]C3)C[NH2+]1 ZINC001246446398 807252776 /nfs/dbraw/zinc/25/27/76/807252776.db2.gz SJCAOGPAIRGRMI-DCAQKATOSA-N 2 2 267.373 0.010 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C[NH3+])CC(C)C)CN1 ZINC001246502548 807268017 /nfs/dbraw/zinc/26/80/17/807268017.db2.gz FVXIAUKZYIVHGB-SRVKXCTJSA-N 2 2 257.378 0.243 20 0 CCADLP C[C@H]1CC[C@@H](NC[C@H]([NH3+])C(=O)OC(C)(C)C)C[NH2+]1 ZINC001246479361 807260553 /nfs/dbraw/zinc/26/05/53/807260553.db2.gz BGYNTWZKJYSEAC-AXFHLTTASA-N 2 2 257.378 0.386 20 0 CCADLP C[C@H]1C[C@H]([NH+]2CCN(c3cnccn3)CC2)CC[NH2+]1 ZINC001246536459 807277570 /nfs/dbraw/zinc/27/75/70/807277570.db2.gz FTDZEXADWSPQHS-QWHCGFSZSA-N 2 2 261.373 0.739 20 0 CCADLP CC1(C)COC2(CCC([N@@H+]3C[C@@H]([NH3+])[C@H](O)C3)CC2)OC1 ZINC001246560209 807287692 /nfs/dbraw/zinc/28/76/92/807287692.db2.gz UZZGHTGDBUNASW-CHWSQXEVSA-N 2 2 284.400 0.702 20 0 CCADLP CC1(C)COC2(CCC([N@H+]3C[C@@H]([NH3+])[C@H](O)C3)CC2)OC1 ZINC001246560209 807287697 /nfs/dbraw/zinc/28/76/97/807287697.db2.gz UZZGHTGDBUNASW-CHWSQXEVSA-N 2 2 284.400 0.702 20 0 CCADLP CC[NH+]1CCC([N@@H+]2CCCC[C@](O)(C[NH3+])C2)CC1 ZINC001246565050 807292567 /nfs/dbraw/zinc/29/25/67/807292567.db2.gz XYQPJVJLEKXXMV-AWEZNQCLSA-N 3 2 255.406 0.646 20 0 CCADLP CC[NH+]1CCC([N@H+]2CCCC[C@](O)(C[NH3+])C2)CC1 ZINC001246565050 807292573 /nfs/dbraw/zinc/29/25/73/807292573.db2.gz XYQPJVJLEKXXMV-AWEZNQCLSA-N 3 2 255.406 0.646 20 0 CCADLP CC1(C)C[C@@H](N2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)CO1 ZINC001246618154 807326408 /nfs/dbraw/zinc/32/64/08/807326408.db2.gz KNDNMYBASANNME-AGIUHOORSA-N 2 2 253.390 0.580 20 0 CCADLP CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CO1 ZINC001246633761 807336186 /nfs/dbraw/zinc/33/61/86/807336186.db2.gz MDNKWMFBVMOKSQ-YVECIDJPSA-N 2 2 268.357 0.533 20 0 CCADLP CCOC(=O)[C@H]1CC[C@@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CO1 ZINC001246633761 807336195 /nfs/dbraw/zinc/33/61/95/807336195.db2.gz MDNKWMFBVMOKSQ-YVECIDJPSA-N 2 2 268.357 0.533 20 0 CCADLP Cn1cc(N2C(=O)C[C@@H]3[C@H]2CC[N@H+]3[C@H]2CCC[NH2+]C2)cn1 ZINC001246722947 807365550 /nfs/dbraw/zinc/36/55/50/807365550.db2.gz TVYNBWVQGBZRCC-IACUBPJLSA-N 2 2 289.383 0.352 20 0 CCADLP Cn1cc(N2C(=O)C[C@@H]3[C@H]2CC[N@@H+]3[C@H]2CCC[NH2+]C2)cn1 ZINC001246722947 807365558 /nfs/dbraw/zinc/36/55/58/807365558.db2.gz TVYNBWVQGBZRCC-IACUBPJLSA-N 2 2 289.383 0.352 20 0 CCADLP Cc1noc([C@]23COC[C@H]2C[N@@H+]([C@@H]2CC[C@@H](C)[NH2+]C2)C3)n1 ZINC001246725786 807366118 /nfs/dbraw/zinc/36/61/18/807366118.db2.gz NFKYFYXXLJCFGW-BPGGGUHBSA-N 2 2 292.383 0.718 20 0 CCADLP Cc1noc([C@]23COC[C@H]2C[N@H+]([C@@H]2CC[C@@H](C)[NH2+]C2)C3)n1 ZINC001246725786 807366127 /nfs/dbraw/zinc/36/61/27/807366127.db2.gz NFKYFYXXLJCFGW-BPGGGUHBSA-N 2 2 292.383 0.718 20 0 CCADLP CN(C)C1=[NH+]OC2(C1)CCN([C@H]1CCC[NH2+]C1)CC2 ZINC001246735293 807368227 /nfs/dbraw/zinc/36/82/27/807368227.db2.gz GMFXMFNCMSKUFH-LBPRGKRZSA-N 2 2 266.389 0.868 20 0 CCADLP CC1(C)C[N@@H+](C2CN(C3CC[NH2+]CC3)C2)CCO1 ZINC001246844951 807403108 /nfs/dbraw/zinc/40/31/08/807403108.db2.gz JOXWFAYQPXARGS-UHFFFAOYSA-N 2 2 253.390 0.533 20 0 CCADLP CC1(C)C[N@H+](C2CN(C3CC[NH2+]CC3)C2)CCO1 ZINC001246844951 807403111 /nfs/dbraw/zinc/40/31/11/807403111.db2.gz JOXWFAYQPXARGS-UHFFFAOYSA-N 2 2 253.390 0.533 20 0 CCADLP C[C@@H]1CC[C@H](N2CC([N@@H+]3CCOC(C)(C)C3)C2)C[NH2+]1 ZINC001246846622 807405735 /nfs/dbraw/zinc/40/57/35/807405735.db2.gz PMTQVXNWVZGKEE-OLZOCXBDSA-N 2 2 267.417 0.922 20 0 CCADLP C[C@@H]1CC[C@H](N2CC([N@H+]3CCOC(C)(C)C3)C2)C[NH2+]1 ZINC001246846622 807405737 /nfs/dbraw/zinc/40/57/37/807405737.db2.gz PMTQVXNWVZGKEE-OLZOCXBDSA-N 2 2 267.417 0.922 20 0 CCADLP COC(=O)[C@H]([NH3+])[C@@H]1CCCN([C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246927579 807430542 /nfs/dbraw/zinc/43/05/42/807430542.db2.gz XAZHXVNAVIMAEE-UMSGYPCISA-N 2 2 269.389 0.339 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C2CCC([NH+](C)C)CC2)C[C@@H]1[NH3+] ZINC001246929509 807431543 /nfs/dbraw/zinc/43/15/43/807431543.db2.gz DWOFVTKBSLGXEX-TUUUFIMRSA-N 3 2 269.389 0.291 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C2CCC([NH+](C)C)CC2)C[C@@H]1[NH3+] ZINC001246929509 807431550 /nfs/dbraw/zinc/43/15/50/807431550.db2.gz DWOFVTKBSLGXEX-TUUUFIMRSA-N 3 2 269.389 0.291 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C2CCC(OC)CC2)C[C@@H]1[NH3+] ZINC001246932685 807433994 /nfs/dbraw/zinc/43/39/94/807433994.db2.gz QNPWNDGWTQHYOC-HCWSGVFWSA-N 2 2 256.346 0.376 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C2CCC(OC)CC2)C[C@@H]1[NH3+] ZINC001246932685 807433998 /nfs/dbraw/zinc/43/39/98/807433998.db2.gz QNPWNDGWTQHYOC-HCWSGVFWSA-N 2 2 256.346 0.376 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C[C@H]1[NH3+] ZINC001246933223 807434275 /nfs/dbraw/zinc/43/42/75/807434275.db2.gz REJMHZMSMZNPAC-JHJVBQTASA-N 3 2 281.400 0.341 20 0 CCADLP COC(=O)[C@@H]1C[N@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C[C@H]1[NH3+] ZINC001246933223 807434282 /nfs/dbraw/zinc/43/42/82/807434282.db2.gz REJMHZMSMZNPAC-JHJVBQTASA-N 3 2 281.400 0.341 20 0 CCADLP C[C@@H]1C[C@H](N2CC([NH+]3C[C@@H](C)O[C@H](C)C3)C2)CC[NH2+]1 ZINC001246985533 807447522 /nfs/dbraw/zinc/44/75/22/807447522.db2.gz CQMNVFRRGZNNNF-AAVRWANBSA-N 2 2 267.417 0.920 20 0 CCADLP C[C@@H]1C[C@@H]([N@@H+]2CC(=O)NC3(CCCC3)C2)CC[NH2+]1 ZINC001246997660 807451134 /nfs/dbraw/zinc/45/11/34/807451134.db2.gz XANFDPNKHKBTBO-NEPJUHHUSA-N 2 2 251.374 0.872 20 0 CCADLP C[C@@H]1C[C@@H]([N@H+]2CC(=O)NC3(CCCC3)C2)CC[NH2+]1 ZINC001246997660 807451136 /nfs/dbraw/zinc/45/11/36/807451136.db2.gz XANFDPNKHKBTBO-NEPJUHHUSA-N 2 2 251.374 0.872 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247015283 807453282 /nfs/dbraw/zinc/45/32/82/807453282.db2.gz OADBFRIGAYJMLF-QLFBSQMISA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247015283 807453286 /nfs/dbraw/zinc/45/32/86/807453286.db2.gz OADBFRIGAYJMLF-QLFBSQMISA-N 2 2 295.427 0.698 20 0 CCADLP N[C@H](C[NH3+])c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001249127322 807543748 /nfs/dbraw/zinc/54/37/48/807543748.db2.gz KAMUMXNQQDPLSW-SNVBAGLBSA-N 2 2 270.296 0.881 20 0 CCADLP CC[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001042756001 815133623 /nfs/dbraw/zinc/13/36/23/815133623.db2.gz IOGLELKOAFTLPT-WCQYABFASA-N 2 2 267.373 0.012 20 0 CCADLP CC[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001042756001 815133626 /nfs/dbraw/zinc/13/36/26/815133626.db2.gz IOGLELKOAFTLPT-WCQYABFASA-N 2 2 267.373 0.012 20 0 CCADLP Cc1cccc(C(=[NH2+])NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC001251044115 807654911 /nfs/dbraw/zinc/65/49/11/807654911.db2.gz UYKKBWDJGKDWCC-AWEZNQCLSA-N 2 2 277.368 0.603 20 0 CCADLP COc1ccc(C[NH+]2CCC([NH2+]C[C@H](O)CO)CC2)cc1 ZINC001252068902 807790620 /nfs/dbraw/zinc/79/06/20/807790620.db2.gz VVEGSLNZCWXNJC-HNNXBMFYSA-N 2 2 294.395 0.602 20 0 CCADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](CC(C)(C)O)CC2 ZINC001252350832 807811035 /nfs/dbraw/zinc/81/10/35/807811035.db2.gz OOOILZNJRCSBSD-UHFFFAOYSA-N 2 2 283.416 0.434 20 0 CCADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](CC(C)(C)O)CC2 ZINC001252350832 807811042 /nfs/dbraw/zinc/81/10/42/807811042.db2.gz OOOILZNJRCSBSD-UHFFFAOYSA-N 2 2 283.416 0.434 20 0 CCADLP O=C1C[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CN1 ZINC001252948269 807987752 /nfs/dbraw/zinc/98/77/52/807987752.db2.gz LSUIKTJPZJASQA-GOEBONIOSA-N 2 2 289.379 0.102 20 0 CCADLP O=C1C[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CN1 ZINC001252948269 807987755 /nfs/dbraw/zinc/98/77/55/807987755.db2.gz LSUIKTJPZJASQA-GOEBONIOSA-N 2 2 289.379 0.102 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH+]1CCC(C(C)(C)C(N)=O)CC1 ZINC001253188062 808023325 /nfs/dbraw/zinc/02/33/25/808023325.db2.gz OLNYDVLAXWMVJW-AWEZNQCLSA-N 2 2 299.459 0.913 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1C[C@H](C(=O)OC)C2(CC2)C1 ZINC001253194979 808025877 /nfs/dbraw/zinc/02/58/77/808025877.db2.gz MGSMLJTXHZDPFN-QWHCGFSZSA-N 2 2 284.400 0.574 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1C[C@H](C(=O)OC)C2(CC2)C1 ZINC001253194979 808025872 /nfs/dbraw/zinc/02/58/72/808025872.db2.gz MGSMLJTXHZDPFN-QWHCGFSZSA-N 2 2 284.400 0.574 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@@]2(CCC(=O)O2)C1 ZINC001253193728 808026071 /nfs/dbraw/zinc/02/60/71/808026071.db2.gz ICSHXRHAXZOWMP-UKRRQHHQSA-N 2 2 284.400 0.861 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@@]2(CCC(=O)O2)C1 ZINC001253193728 808026079 /nfs/dbraw/zinc/02/60/79/808026079.db2.gz ICSHXRHAXZOWMP-UKRRQHHQSA-N 2 2 284.400 0.861 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH+]1CCC2(CCC(=O)N2)CC1 ZINC001253192230 808026183 /nfs/dbraw/zinc/02/61/83/808026183.db2.gz MJHADRPHCRGHHZ-ZDUSSCGKSA-N 2 2 283.416 0.434 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]Cc1ncccc1O ZINC001253208202 808031537 /nfs/dbraw/zinc/03/15/37/808031537.db2.gz OLYZFPINOPTVBD-LLVKDONJSA-N 2 2 253.346 0.580 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H](CO)[C@@H](O)c1ccccc1 ZINC001253208871 808031901 /nfs/dbraw/zinc/03/19/01/808031901.db2.gz UFMFWBUCMKFKBQ-JYJNAYRXSA-N 2 2 296.411 0.373 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C[C@H](O)c1ccco1 ZINC001253385002 808052401 /nfs/dbraw/zinc/05/24/01/808052401.db2.gz OQJIDNKTCUBJCM-QWRGUYRKSA-N 2 2 256.346 0.652 20 0 CCADLP C[C@H]1C[NH+](C2CN(C[C@H](O)C[NH2+]C(C)(C)C)C2)C[C@H](C)O1 ZINC001253396660 808056852 /nfs/dbraw/zinc/05/68/52/808056852.db2.gz CALQKFCOULLMTA-KCQAQPDRSA-N 2 2 299.459 0.529 20 0 CCADLP O=S1(=O)CC[C@H]([NH2+]CCOc2cc[nH+]cc2)C1 ZINC001254328028 808211433 /nfs/dbraw/zinc/21/14/33/808211433.db2.gz MMZCPFGAYGYXBE-JTQLQIEISA-N 2 2 256.327 0.237 20 0 CCADLP [NH3+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CCCOC1 ZINC001254370945 808224862 /nfs/dbraw/zinc/22/48/62/808224862.db2.gz ZGFAWWOBEJIGRC-JYJNAYRXSA-N 2 2 275.396 0.967 20 0 CCADLP CCOC(=O)C[NH+]1CCC(n2cc(C[NH3+])cnc2=N)CC1 ZINC001254397534 808233266 /nfs/dbraw/zinc/23/32/66/808233266.db2.gz QIAULJZYJDGLDI-UHFFFAOYSA-N 2 2 293.371 0.021 20 0 CCADLP C[N@H+](CCN1CC[NH+](C)CC1)[C@H]1CCC[NH+](C)CC1 ZINC001254526439 808256862 /nfs/dbraw/zinc/25/68/62/808256862.db2.gz RRKQPURATVLZNU-HNNXBMFYSA-N 3 2 268.449 0.650 20 0 CCADLP C[N@@H+](CCN1CC[NH+](C)CC1)[C@H]1CCC[NH+](C)CC1 ZINC001254526439 808256870 /nfs/dbraw/zinc/25/68/70/808256870.db2.gz RRKQPURATVLZNU-HNNXBMFYSA-N 3 2 268.449 0.650 20 0 CCADLP C[NH+](CCN1CC[NH+](C)CC1)[C@H]1CCC[N@H+](C)CC1 ZINC001254526439 808256877 /nfs/dbraw/zinc/25/68/77/808256877.db2.gz RRKQPURATVLZNU-HNNXBMFYSA-N 3 2 268.449 0.650 20 0 CCADLP C[NH+](CCN1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254526439 808256883 /nfs/dbraw/zinc/25/68/83/808256883.db2.gz RRKQPURATVLZNU-HNNXBMFYSA-N 3 2 268.449 0.650 20 0 CCADLP CNC(=O)N1CC[NH+]([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254532392 808256989 /nfs/dbraw/zinc/25/69/89/808256989.db2.gz SBICNSPVOVNCKL-GFCCVEGCSA-N 2 2 254.378 0.428 20 0 CCADLP CNC(=O)N1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254532392 808256996 /nfs/dbraw/zinc/25/69/96/808256996.db2.gz SBICNSPVOVNCKL-GFCCVEGCSA-N 2 2 254.378 0.428 20 0 CCADLP C[NH+]1CC(C(=O)N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)C1 ZINC001142595752 815189523 /nfs/dbraw/zinc/18/95/23/815189523.db2.gz MPWWCBNTXIRUPH-GFCCVEGCSA-N 2 2 287.354 0.880 20 0 CCADLP O=C(NCC[NH2+][C@H]1CC2CC[NH+](CC2)C1)c1ccncc1 ZINC001254837145 808284459 /nfs/dbraw/zinc/28/44/59/808284459.db2.gz RTSFKHRQIIDVGD-HNNXBMFYSA-N 2 2 288.395 0.885 20 0 CCADLP O=C1C[C@H]2CC([NH2+]CCC[NH+](CCO)CCO)C[C@@H]2C1 ZINC001254921599 808296166 /nfs/dbraw/zinc/29/61/66/808296166.db2.gz DISBFSLEWQDLMN-CHWSQXEVSA-N 2 2 284.400 0.010 20 0 CCADLP CC(C)=CC[NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001278838183 808313740 /nfs/dbraw/zinc/31/37/40/808313740.db2.gz GWXBLZMPIFJOJS-ZDUSSCGKSA-N 2 2 280.372 0.258 20 0 CCADLP CN(C)C1=[NH+]OC2(C1)CCN([C@@H]1CC[N@H+](C)C1)CC2 ZINC001255432979 808365810 /nfs/dbraw/zinc/36/58/10/808365810.db2.gz FOFQIUJOXZBCED-GFCCVEGCSA-N 2 2 266.389 0.821 20 0 CCADLP CN(C)C1=[NH+]OC2(C1)CCN([C@@H]1CC[N@@H+](C)C1)CC2 ZINC001255432979 808365819 /nfs/dbraw/zinc/36/58/19/808365819.db2.gz FOFQIUJOXZBCED-GFCCVEGCSA-N 2 2 266.389 0.821 20 0 CCADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC001255941497 808439435 /nfs/dbraw/zinc/43/94/35/808439435.db2.gz SCMBJAWHWJXYNR-VXGBXAGGSA-N 2 2 262.419 0.884 20 0 CCADLP CCOC(=O)N1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC001256011649 808447602 /nfs/dbraw/zinc/44/76/02/808447602.db2.gz PARFUUVENCWAHP-NWDGAFQWSA-N 2 2 255.362 0.901 20 0 CCADLP CCOC(=O)N1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC001256011649 808447607 /nfs/dbraw/zinc/44/76/07/808447607.db2.gz PARFUUVENCWAHP-NWDGAFQWSA-N 2 2 255.362 0.901 20 0 CCADLP C[C@]1(CO)C[N@@H+](C2CC[NH+](C3CC3)CC2)CC[C@@H]1O ZINC001256076268 808467946 /nfs/dbraw/zinc/46/79/46/808467946.db2.gz XDXQQMACQVYDCD-LSDHHAIUSA-N 2 2 268.401 0.678 20 0 CCADLP C[C@]1(CO)C[N@H+](C2CC[NH+](C3CC3)CC2)CC[C@@H]1O ZINC001256076268 808467970 /nfs/dbraw/zinc/46/79/70/808467970.db2.gz XDXQQMACQVYDCD-LSDHHAIUSA-N 2 2 268.401 0.678 20 0 CCADLP C[C@]1(CO)C[N@@H+](C2CC[NH+](C3CC3)CC2)CC[C@H]1O ZINC001256076267 808468395 /nfs/dbraw/zinc/46/83/95/808468395.db2.gz XDXQQMACQVYDCD-HUUCEWRRSA-N 2 2 268.401 0.678 20 0 CCADLP C[C@]1(CO)C[N@H+](C2CC[NH+](C3CC3)CC2)CC[C@H]1O ZINC001256076267 808468398 /nfs/dbraw/zinc/46/83/98/808468398.db2.gz XDXQQMACQVYDCD-HUUCEWRRSA-N 2 2 268.401 0.678 20 0 CCADLP COc1cccc(C[C@@H](C)[N@H+](CC[NH3+])CCO)c1 ZINC001256144602 808472067 /nfs/dbraw/zinc/47/20/67/808472067.db2.gz PVWULSCFYKUUQV-GFCCVEGCSA-N 2 2 252.358 0.879 20 0 CCADLP COc1cccc(C[C@@H](C)[N@@H+](CC[NH3+])CCO)c1 ZINC001256144602 808472072 /nfs/dbraw/zinc/47/20/72/808472072.db2.gz PVWULSCFYKUUQV-GFCCVEGCSA-N 2 2 252.358 0.879 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@H](CO)C(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC001256531171 808532020 /nfs/dbraw/zinc/53/20/20/808532020.db2.gz QVGYWFMWCMNCKB-BPLDGKMQSA-N 2 2 291.395 0.475 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@H](CO)C(N)=O)CC[N@H+]1Cc1ccccc1 ZINC001256531171 808532025 /nfs/dbraw/zinc/53/20/25/808532025.db2.gz QVGYWFMWCMNCKB-BPLDGKMQSA-N 2 2 291.395 0.475 20 0 CCADLP CCOC(=O)[C@H]1CC[C@H](NC(=[NH2+])N2CC[NH+](C)CC2)C1 ZINC001257024000 808577871 /nfs/dbraw/zinc/57/78/71/808577871.db2.gz AIHNKDBRAOJYSQ-RYUDHWBXSA-N 2 2 282.388 0.490 20 0 CCADLP Cn1cc([C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]2[NH3+])cn1 ZINC001261430754 808975638 /nfs/dbraw/zinc/97/56/38/808975638.db2.gz ZQNRMIRGRCNRLM-KGYLQXTDSA-N 2 2 250.346 0.183 20 0 CCADLP Cn1cc([C@@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2[NH3+])cn1 ZINC001261430754 808975645 /nfs/dbraw/zinc/97/56/45/808975645.db2.gz ZQNRMIRGRCNRLM-KGYLQXTDSA-N 2 2 250.346 0.183 20 0 CCADLP [NH3+][C@H](CO)c1cn(Cc2[nH+]ccn2Cc2ccccc2)nn1 ZINC001262026136 809162148 /nfs/dbraw/zinc/16/21/48/809162148.db2.gz ILBWFBDDEWLYKX-CYBMUJFWSA-N 2 2 298.350 0.563 20 0 CCADLP [NH3+][C@H](CC(F)F)C[NH+]1CCC2(CCNC2=O)CC1 ZINC001262162396 809213385 /nfs/dbraw/zinc/21/33/85/809213385.db2.gz NHLUTQHOQLJQHF-SECBINFHSA-N 2 2 261.316 0.571 20 0 CCADLP C[C@@H]1C[C@@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH3+] ZINC001263130995 809455293 /nfs/dbraw/zinc/45/52/93/809455293.db2.gz KARZMSBBYQDSAT-GMTAPVOTSA-N 2 2 250.346 0.784 20 0 CCADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCNCC[NH2+]CC1 ZINC001263210140 809481765 /nfs/dbraw/zinc/48/17/65/809481765.db2.gz CKAPJADOHVQZIF-UHFFFAOYSA-N 2 2 273.340 0.198 20 0 CCADLP COCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001265482882 809790096 /nfs/dbraw/zinc/79/00/96/809790096.db2.gz BGHSKUKAOBCZIH-FDYHWXHSSA-N 2 2 292.383 0.787 20 0 CCADLP COCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001265482882 809790100 /nfs/dbraw/zinc/79/01/00/809790100.db2.gz BGHSKUKAOBCZIH-FDYHWXHSSA-N 2 2 292.383 0.787 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]CC2CC2)C1 ZINC001265552143 809803158 /nfs/dbraw/zinc/80/31/58/809803158.db2.gz YUJPACVXPDAWSI-BETUJISGSA-N 2 2 262.357 0.920 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C[C@H]([NH3+])C(F)F ZINC000724737326 809988406 /nfs/dbraw/zinc/98/84/06/809988406.db2.gz AOTBAQYLCZXJFL-LPEHRKFASA-N 2 2 261.316 0.664 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C[C@H]([NH3+])C(F)F ZINC000724737326 809988408 /nfs/dbraw/zinc/98/84/08/809988408.db2.gz AOTBAQYLCZXJFL-LPEHRKFASA-N 2 2 261.316 0.664 20 0 CCADLP Cc1[nH+]ccn1-c1cncc(-n2c(C)ncc(C[NH3+])c2=N)n1 ZINC001167673130 811152812 /nfs/dbraw/zinc/15/28/12/811152812.db2.gz LVGLJWFLZIPUFR-UHFFFAOYSA-N 2 2 296.338 0.403 20 0 CCADLP CN(CC[NH2+]CCCF)C(=O)Cc1c[nH+]cn1C ZINC001267456349 811317033 /nfs/dbraw/zinc/31/70/33/811317033.db2.gz ULPKQBITMUMERB-UHFFFAOYSA-N 2 2 256.325 0.370 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCOC[C@@H]1CCO ZINC000694881163 811523666 /nfs/dbraw/zinc/52/36/66/811523666.db2.gz OGCVHGRAPBTLEH-ZDUSSCGKSA-N 2 2 253.346 0.665 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CCOC[C@@H]1CCO ZINC000694881163 811523670 /nfs/dbraw/zinc/52/36/70/811523670.db2.gz OGCVHGRAPBTLEH-ZDUSSCGKSA-N 2 2 253.346 0.665 20 0 CCADLP CCC[N@H+](CCO)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001098514473 812308147 /nfs/dbraw/zinc/30/81/47/812308147.db2.gz VUIDVSXGMOASKV-UHFFFAOYSA-N 2 2 294.399 0.648 20 0 CCADLP CCC[N@@H+](CCO)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001098514473 812308156 /nfs/dbraw/zinc/30/81/56/812308156.db2.gz VUIDVSXGMOASKV-UHFFFAOYSA-N 2 2 294.399 0.648 20 0 CCADLP COCCOCCOCC[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000126018912 812317558 /nfs/dbraw/zinc/31/75/58/812317558.db2.gz LMVVLJBSBPQYED-KGLIPLIRSA-N 2 2 274.405 0.725 20 0 CCADLP COCCOCCOCC[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000126018912 812317569 /nfs/dbraw/zinc/31/75/69/812317569.db2.gz LMVVLJBSBPQYED-KGLIPLIRSA-N 2 2 274.405 0.725 20 0 CCADLP C[C@H](O)C[NH2+]CC[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001268388892 812538370 /nfs/dbraw/zinc/53/83/70/812538370.db2.gz XWCOUMPFWPZHCD-RYUDHWBXSA-N 2 2 282.388 0.218 20 0 CCADLP CCN(CC[NH2+]CCOC)C(=O)Cc1c[nH+]c[nH]1 ZINC001268484864 812661319 /nfs/dbraw/zinc/66/13/19/812661319.db2.gz VLVXCEYYJGULJT-UHFFFAOYSA-N 2 2 254.334 0.037 20 0 CCADLP COc1cc(F)cc(-c2noc([C@H]3C[NH2+]C[C@@H]3[NH3+])n2)c1 ZINC001211755452 812670201 /nfs/dbraw/zinc/67/02/01/812670201.db2.gz NPJGBBDQBBLKKL-QWRGUYRKSA-N 2 2 278.287 0.898 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC/C=C\C[NH2+]CCF ZINC001268593042 812887221 /nfs/dbraw/zinc/88/72/21/812887221.db2.gz OVXDSTNFBHHOJY-JDEDCZITSA-N 2 2 280.347 0.755 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC/C=C\C[NH2+]CC[C@@H]1CCCO1 ZINC001268632576 812955603 /nfs/dbraw/zinc/95/56/03/812955603.db2.gz HQPXXBHMCCCTTI-BOPNBLERSA-N 2 2 292.383 0.714 20 0 CCADLP CN(CCC[NH2+]Cc1cnns1)C(=O)Cn1cc[nH+]c1 ZINC001268964514 813160311 /nfs/dbraw/zinc/16/03/11/813160311.db2.gz RLFGCKBNFQWOLW-UHFFFAOYSA-N 2 2 294.384 0.373 20 0 CCADLP C[C@@H](O)C[NH2+]CC[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001269785468 813509620 /nfs/dbraw/zinc/50/96/20/813509620.db2.gz NNLIMQKDFGWEHU-OLZOCXBDSA-N 2 2 294.399 0.551 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]C/C=C/Cl ZINC001126447506 813631277 /nfs/dbraw/zinc/63/12/77/813631277.db2.gz HXLPCQSEXDZRTA-DAFODLJHSA-N 2 2 256.737 0.801 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]1C[NH2+]CCCF ZINC001270158840 813657151 /nfs/dbraw/zinc/65/71/51/813657151.db2.gz IMZRCYVHCFSBMQ-NSHDSACASA-N 2 2 268.336 0.892 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H](C[NH2+]CCO)C1CCCC1 ZINC001270440571 813764972 /nfs/dbraw/zinc/76/49/72/813764972.db2.gz FPOZDVJITYUVTO-CYBMUJFWSA-N 2 2 280.372 0.209 20 0 CCADLP CC[C@H](C(=O)N[C@]1(C)CC[N@H+](CCF)C1)[NH+](C)C ZINC001270648905 813870105 /nfs/dbraw/zinc/87/01/05/813870105.db2.gz KEENDHUOEFHSER-DGCLKSJQSA-N 2 2 259.369 0.877 20 0 CCADLP CC[C@H](C(=O)N[C@]1(C)CC[N@@H+](CCF)C1)[NH+](C)C ZINC001270648905 813870113 /nfs/dbraw/zinc/87/01/13/813870113.db2.gz KEENDHUOEFHSER-DGCLKSJQSA-N 2 2 259.369 0.877 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+]CCC[C@H](C)O ZINC001167978286 813883232 /nfs/dbraw/zinc/88/32/32/813883232.db2.gz LFPJVDPZXMLHPF-OLZOCXBDSA-N 2 2 296.415 0.845 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+]CCC[C@H](C)O ZINC001167978286 813883242 /nfs/dbraw/zinc/88/32/42/813883242.db2.gz LFPJVDPZXMLHPF-OLZOCXBDSA-N 2 2 296.415 0.845 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCO ZINC001029360194 814097519 /nfs/dbraw/zinc/09/75/19/814097519.db2.gz WSPQFDQQQAQSLS-MJBXVCDLSA-N 2 2 281.400 0.138 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCO ZINC001029360194 814097523 /nfs/dbraw/zinc/09/75/23/814097523.db2.gz WSPQFDQQQAQSLS-MJBXVCDLSA-N 2 2 281.400 0.138 20 0 CCADLP C[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001029360194 814097527 /nfs/dbraw/zinc/09/75/27/814097527.db2.gz WSPQFDQQQAQSLS-MJBXVCDLSA-N 2 2 281.400 0.138 20 0 CCADLP C[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001029360194 814097529 /nfs/dbraw/zinc/09/75/29/814097529.db2.gz WSPQFDQQQAQSLS-MJBXVCDLSA-N 2 2 281.400 0.138 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H](C)C[NH2+]CCCO ZINC001271137613 814198767 /nfs/dbraw/zinc/19/87/67/814198767.db2.gz QSNIIKVXCDMCEF-VXGBXAGGSA-N 2 2 282.388 0.407 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H](C)C[NH2+]CCCO ZINC001271137613 814198768 /nfs/dbraw/zinc/19/87/68/814198768.db2.gz QSNIIKVXCDMCEF-VXGBXAGGSA-N 2 2 282.388 0.407 20 0 CCADLP COCCOC[N@@H+]1CCC2(CN(C(=O)[C@H](C)[NH+](C)C)C2)C1 ZINC001271148050 814210199 /nfs/dbraw/zinc/21/01/99/814210199.db2.gz RRDCOLJXYAOVEP-ZDUSSCGKSA-N 2 2 299.415 0.091 20 0 CCADLP COCCOC[N@H+]1CCC2(CN(C(=O)[C@H](C)[NH+](C)C)C2)C1 ZINC001271148050 814210207 /nfs/dbraw/zinc/21/02/07/814210207.db2.gz RRDCOLJXYAOVEP-ZDUSSCGKSA-N 2 2 299.415 0.091 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCF ZINC001029554133 814420508 /nfs/dbraw/zinc/42/05/08/814420508.db2.gz OTAMDLQURAZIMT-BETUJISGSA-N 2 2 294.374 0.997 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCF ZINC001029554133 814420513 /nfs/dbraw/zinc/42/05/13/814420513.db2.gz OTAMDLQURAZIMT-BETUJISGSA-N 2 2 294.374 0.997 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](C)O ZINC001029565729 814432697 /nfs/dbraw/zinc/43/26/97/814432697.db2.gz SUMJZGNRZSXRPL-RTXFEEFZSA-N 2 2 292.383 0.317 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)O ZINC001029565729 814432702 /nfs/dbraw/zinc/43/27/02/814432702.db2.gz SUMJZGNRZSXRPL-RTXFEEFZSA-N 2 2 292.383 0.317 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@@H+](CCF)CC[C@@H]2C1 ZINC001088170846 814440686 /nfs/dbraw/zinc/44/06/86/814440686.db2.gz KLMFLGXDTGRHCT-OLZOCXBDSA-N 2 2 294.374 0.712 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@H+](CCF)CC[C@@H]2C1 ZINC001088170846 814440692 /nfs/dbraw/zinc/44/06/92/814440692.db2.gz KLMFLGXDTGRHCT-OLZOCXBDSA-N 2 2 294.374 0.712 20 0 CCADLP COCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001271498325 814466175 /nfs/dbraw/zinc/46/61/75/814466175.db2.gz GRCPDSQPSUSYGY-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001271498325 814466180 /nfs/dbraw/zinc/46/61/80/814466180.db2.gz GRCPDSQPSUSYGY-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)CC1 ZINC000714247084 814579062 /nfs/dbraw/zinc/57/90/62/814579062.db2.gz BMEGOFUTSTXYGD-IJLUTSLNSA-N 2 2 260.403 0.636 20 0 CCADLP C[N@H+]1CCC[C@@H]([NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)CC1 ZINC000714247084 814579066 /nfs/dbraw/zinc/57/90/66/814579066.db2.gz BMEGOFUTSTXYGD-IJLUTSLNSA-N 2 2 260.403 0.636 20 0 CCADLP C[N@@H+]1CCC2(CN(C(=O)CCc3ccc(N)[nH+]c3)C2)C1 ZINC001271815411 814590690 /nfs/dbraw/zinc/59/06/90/814590690.db2.gz HTUQTOYODIGUQO-UHFFFAOYSA-N 2 2 274.368 0.761 20 0 CCADLP C[N@H+]1CCC2(CN(C(=O)CCc3ccc(N)[nH+]c3)C2)C1 ZINC001271815411 814590697 /nfs/dbraw/zinc/59/06/97/814590697.db2.gz HTUQTOYODIGUQO-UHFFFAOYSA-N 2 2 274.368 0.761 20 0 CCADLP C[N@@H+]1CCO[C@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]21 ZINC001271945011 814640355 /nfs/dbraw/zinc/64/03/55/814640355.db2.gz GXAYDJRJYGMYKQ-KGLIPLIRSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@H+]1CCO[C@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]21 ZINC001271945011 814640358 /nfs/dbraw/zinc/64/03/58/814640358.db2.gz GXAYDJRJYGMYKQ-KGLIPLIRSA-N 2 2 281.400 0.404 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCCCC[C@@H]([NH2+]CCO)C1 ZINC001088405475 814675328 /nfs/dbraw/zinc/67/53/28/814675328.db2.gz YYMWTBZOZOOBIO-GFCCVEGCSA-N 2 2 280.372 0.305 20 0 CCADLP C[C@@H]1[C@@H]([NH2+]CCF)CCN1C(=O)CCc1[nH+]ccn1C ZINC000986603263 814761190 /nfs/dbraw/zinc/76/11/90/814761190.db2.gz SBLVYGLJSSXLKC-NEPJUHHUSA-N 2 2 282.363 0.901 20 0 CCADLP CC[C@H](C(=O)NC[C@@H](O)CNc1cc[nH+]c(C)n1)[NH+](C)C ZINC001105925923 816001195 /nfs/dbraw/zinc/00/11/95/816001195.db2.gz JMNOYNVIISPOAE-NWDGAFQWSA-N 2 2 295.387 0.014 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1C[NH+]([C@@H](C)COC)C1 ZINC001030401499 816016284 /nfs/dbraw/zinc/01/62/84/816016284.db2.gz SOKCATDKQIIGIB-GXTWGEPZSA-N 2 2 283.416 0.696 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC1C[NH+]([C@@H](C)COC)C1 ZINC001030401499 816016293 /nfs/dbraw/zinc/01/62/93/816016293.db2.gz SOKCATDKQIIGIB-GXTWGEPZSA-N 2 2 283.416 0.696 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC1C[NH+](CC[C@H]2CCOC2)C1 ZINC001030683729 816216285 /nfs/dbraw/zinc/21/62/85/816216285.db2.gz WGCLUHXLGPVVRM-ZDUSSCGKSA-N 2 2 292.383 0.419 20 0 CCADLP C[NH+]1CC2(C1)CCN(C(=O)Cc1cc[nH+]c(N)c1)CC2 ZINC001272304856 816289932 /nfs/dbraw/zinc/28/99/32/816289932.db2.gz YNXUCAXQYTUXAX-UHFFFAOYSA-N 2 2 274.368 0.761 20 0 CCADLP CCC[N@@H+]1CCC[C@@H](C(=O)NC2C[NH+](CC)C2)C1 ZINC001030825829 816321716 /nfs/dbraw/zinc/32/17/16/816321716.db2.gz QCCLNJHVMKYGII-GFCCVEGCSA-N 2 2 253.390 0.929 20 0 CCADLP CCC[N@H+]1CCC[C@@H](C(=O)NC2C[NH+](CC)C2)C1 ZINC001030825829 816321723 /nfs/dbraw/zinc/32/17/23/816321723.db2.gz QCCLNJHVMKYGII-GFCCVEGCSA-N 2 2 253.390 0.929 20 0 CCADLP CC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](OC)C1 ZINC001212199144 816636118 /nfs/dbraw/zinc/63/61/18/816636118.db2.gz QYAJAYMOAGZBPA-GHMZBOCLSA-N 2 2 266.345 0.178 20 0 CCADLP CC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](OC)C1 ZINC001212199144 816636123 /nfs/dbraw/zinc/63/61/23/816636123.db2.gz QYAJAYMOAGZBPA-GHMZBOCLSA-N 2 2 266.345 0.178 20 0 CCADLP CC1CC[NH+](CC(=O)NC2C[NH+](CCCF)C2)CC1 ZINC001031140789 816694090 /nfs/dbraw/zinc/69/40/90/816694090.db2.gz KRXVYNIYLKFZNJ-UHFFFAOYSA-N 2 2 271.380 0.878 20 0 CCADLP CO[C@@H]1C[N@H+](CCCF)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212200835 816720238 /nfs/dbraw/zinc/72/02/38/816720238.db2.gz ATHABPCVMSIZIQ-VXGBXAGGSA-N 2 2 298.362 0.517 20 0 CCADLP CO[C@@H]1C[N@@H+](CCCF)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212200835 816720243 /nfs/dbraw/zinc/72/02/43/816720243.db2.gz ATHABPCVMSIZIQ-VXGBXAGGSA-N 2 2 298.362 0.517 20 0 CCADLP c1ccc(OCC[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235052826 816797164 /nfs/dbraw/zinc/79/71/64/816797164.db2.gz PLZRJCKPGCLNGC-HNNXBMFYSA-N 2 2 261.369 0.703 20 0 CCADLP c1ccc(OCC[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235052826 816797167 /nfs/dbraw/zinc/79/71/67/816797167.db2.gz PLZRJCKPGCLNGC-HNNXBMFYSA-N 2 2 261.369 0.703 20 0 CCADLP COc1cccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235055174 816799292 /nfs/dbraw/zinc/79/92/92/816799292.db2.gz ZURQORIYWKCYDU-OAHLLOKOSA-N 2 2 261.369 0.833 20 0 CCADLP COc1cccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235055174 816799297 /nfs/dbraw/zinc/79/92/97/816799297.db2.gz ZURQORIYWKCYDU-OAHLLOKOSA-N 2 2 261.369 0.833 20 0 CCADLP CCOC(=O)c1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)[nH]n1 ZINC001205151417 816875986 /nfs/dbraw/zinc/87/59/86/816875986.db2.gz UFBMDYPEMPFGMH-VHSXEESVSA-N 2 2 266.345 0.613 20 0 CCADLP CCOC(=O)c1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)[nH]n1 ZINC001205151417 816875990 /nfs/dbraw/zinc/87/59/90/816875990.db2.gz UFBMDYPEMPFGMH-VHSXEESVSA-N 2 2 266.345 0.613 20 0 CCADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+](CCCC[NH3+])C2)C1 ZINC001235485613 816884332 /nfs/dbraw/zinc/88/43/32/816884332.db2.gz KZYXLOYHAZDBHZ-INIZCTEOSA-N 3 2 299.459 0.786 20 0 CCADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+](CCCC[NH3+])C2)C1 ZINC001235485613 816884337 /nfs/dbraw/zinc/88/43/37/816884337.db2.gz KZYXLOYHAZDBHZ-INIZCTEOSA-N 3 2 299.459 0.786 20 0 CCADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+](CCCC[NH3+])C2)C1 ZINC001235485613 816884346 /nfs/dbraw/zinc/88/43/46/816884346.db2.gz KZYXLOYHAZDBHZ-INIZCTEOSA-N 3 2 299.459 0.786 20 0 CCADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+](CCCC[NH3+])C2)C1 ZINC001235485613 816884355 /nfs/dbraw/zinc/88/43/55/816884355.db2.gz KZYXLOYHAZDBHZ-INIZCTEOSA-N 3 2 299.459 0.786 20 0 CCADLP CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235605782 816895771 /nfs/dbraw/zinc/89/57/71/816895771.db2.gz PFODGLUEYLSWPT-QJPTWQEYSA-N 2 2 267.373 0.406 20 0 CCADLP CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235605782 816895777 /nfs/dbraw/zinc/89/57/77/816895777.db2.gz PFODGLUEYLSWPT-QJPTWQEYSA-N 2 2 267.373 0.406 20 0 CCADLP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1ccc(OCCO)cc1)C2 ZINC001235993887 816982396 /nfs/dbraw/zinc/98/23/96/816982396.db2.gz OVMBPRXFYREPAX-UKRRQHHQSA-N 2 2 262.353 0.981 20 0 CCADLP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1ccc(OCCO)cc1)C2 ZINC001235993887 816982400 /nfs/dbraw/zinc/98/24/00/816982400.db2.gz OVMBPRXFYREPAX-UKRRQHHQSA-N 2 2 262.353 0.981 20 0 CCADLP CC(C)=CC[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001031382318 817016337 /nfs/dbraw/zinc/01/63/37/817016337.db2.gz PNPLSULPYFTROV-LBPRGKRZSA-N 2 2 251.374 0.705 20 0 CCADLP CC(C)=CC[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001031382318 817016347 /nfs/dbraw/zinc/01/63/47/817016347.db2.gz PNPLSULPYFTROV-LBPRGKRZSA-N 2 2 251.374 0.705 20 0 CCADLP CCC(CC)C[NH+]1CC(NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001031419409 817045854 /nfs/dbraw/zinc/04/58/54/817045854.db2.gz ZTFSCVRLMFKGQC-HNNXBMFYSA-N 2 2 297.443 0.944 20 0 CCADLP CCC(CC)C[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001031419409 817045864 /nfs/dbraw/zinc/04/58/64/817045864.db2.gz ZTFSCVRLMFKGQC-HNNXBMFYSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)CC[NH+]1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001031476888 817072671 /nfs/dbraw/zinc/07/26/71/817072671.db2.gz KNNNIXFFRUANAX-UHFFFAOYSA-N 2 2 250.346 0.730 20 0 CCADLP O=C(NCC[NH2+]Cc1csnn1)[C@@H]1C[NH+]2CCC1CC2 ZINC001127473910 817144698 /nfs/dbraw/zinc/14/46/98/817144698.db2.gz DJSJQERYLWQLAX-GFCCVEGCSA-N 2 2 295.412 0.086 20 0 CCADLP O=C(NCC1C[NH+](CCCF)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001031784183 817364001 /nfs/dbraw/zinc/36/40/01/817364001.db2.gz MMGBUJRHFDSYEG-ZDUSSCGKSA-N 2 2 294.374 0.853 20 0 CCADLP COCC[NH+]1CC(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001031782904 817364983 /nfs/dbraw/zinc/36/49/83/817364983.db2.gz PGXQGPGMXMZROM-ZDUSSCGKSA-N 2 2 292.383 0.140 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3cncs3)C2)C1 ZINC001032186089 817682635 /nfs/dbraw/zinc/68/26/35/817682635.db2.gz IEALMFZEANLORF-LBPRGKRZSA-N 2 2 294.424 0.643 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3cncs3)C2)C1 ZINC001032186089 817682642 /nfs/dbraw/zinc/68/26/42/817682642.db2.gz IEALMFZEANLORF-LBPRGKRZSA-N 2 2 294.424 0.643 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC000996458395 817809884 /nfs/dbraw/zinc/80/98/84/817809884.db2.gz VTRAFWDCZXGWEO-GHMZBOCLSA-N 2 2 280.372 0.160 20 0 CCADLP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001077656258 817943256 /nfs/dbraw/zinc/94/32/56/817943256.db2.gz CXODWFCIPDJVQX-MVWJERBFSA-N 2 2 278.356 0.011 20 0 CCADLP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001077656258 817943261 /nfs/dbraw/zinc/94/32/61/817943261.db2.gz CXODWFCIPDJVQX-MVWJERBFSA-N 2 2 278.356 0.011 20 0 CCADLP Cc1nc(NC[C@@H](C)NC(=O)C[NH+]2CCCC2)cc[nH+]1 ZINC001107767488 817994477 /nfs/dbraw/zinc/99/44/77/817994477.db2.gz IPRBELZHVNDOMX-LLVKDONJSA-N 2 2 277.372 0.797 20 0 CCADLP C[C@H](CC[NH2+]Cc1ccnn1C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001273045179 818523343 /nfs/dbraw/zinc/52/33/43/818523343.db2.gz QQLWDNDAZZEUSM-LLVKDONJSA-N 2 2 290.371 0.370 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cnc(N3CCC3)nc2)CC1 ZINC001168736266 818545473 /nfs/dbraw/zinc/54/54/73/818545473.db2.gz DHIQUEKBECROAN-UHFFFAOYSA-N 2 2 275.360 0.281 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc3c(n2)NCCO3)CC1 ZINC001168740369 818598386 /nfs/dbraw/zinc/59/83/86/818598386.db2.gz GHDZRCINPPAHKI-UHFFFAOYSA-N 2 2 276.344 0.480 20 0 CCADLP CN(C)c1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)nc1 ZINC001168740385 818600707 /nfs/dbraw/zinc/60/07/07/818600707.db2.gz GWHLPLMICONKOS-UHFFFAOYSA-N 2 2 262.361 0.742 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001033592039 818841375 /nfs/dbraw/zinc/84/13/75/818841375.db2.gz XMHSCBLIYMPGGW-NEPJUHHUSA-N 2 2 294.399 0.601 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001033592039 818841378 /nfs/dbraw/zinc/84/13/78/818841378.db2.gz XMHSCBLIYMPGGW-NEPJUHHUSA-N 2 2 294.399 0.601 20 0 CCADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001033787117 818935307 /nfs/dbraw/zinc/93/53/07/818935307.db2.gz CICJAXIOAAKKCI-GJZGRUSLSA-N 2 2 297.443 0.896 20 0 CCADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001033787117 818935311 /nfs/dbraw/zinc/93/53/11/818935311.db2.gz CICJAXIOAAKKCI-GJZGRUSLSA-N 2 2 297.443 0.896 20 0 CCADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](CC(C)C)C1 ZINC001033787117 818935319 /nfs/dbraw/zinc/93/53/19/818935319.db2.gz CICJAXIOAAKKCI-GJZGRUSLSA-N 2 2 297.443 0.896 20 0 CCADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](CC(C)C)C1 ZINC001033787117 818935325 /nfs/dbraw/zinc/93/53/25/818935325.db2.gz CICJAXIOAAKKCI-GJZGRUSLSA-N 2 2 297.443 0.896 20 0 CCADLP CO[C@H](C)C[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128967532 819237019 /nfs/dbraw/zinc/23/70/19/819237019.db2.gz VEHFRPBRFQFXLT-SNVBAGLBSA-N 2 2 254.334 0.083 20 0 CCADLP CO[C@H](C)C[NH2+]CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001128967532 819237026 /nfs/dbraw/zinc/23/70/26/819237026.db2.gz VEHFRPBRFQFXLT-SNVBAGLBSA-N 2 2 254.334 0.083 20 0 CCADLP CC1CCN(C(=O)C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000703614330 819303626 /nfs/dbraw/zinc/30/36/26/819303626.db2.gz MLOYUKPKAWIDSE-DZGCQCFKSA-N 2 2 265.401 0.786 20 0 CCADLP CC1CCN(C(=O)C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000703614330 819303633 /nfs/dbraw/zinc/30/36/33/819303633.db2.gz MLOYUKPKAWIDSE-DZGCQCFKSA-N 2 2 265.401 0.786 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC2CCC2)C1 ZINC001034890329 819362265 /nfs/dbraw/zinc/36/22/65/819362265.db2.gz AWXQZZFABDBVOO-HUUCEWRRSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC2CCC2)C1 ZINC001034890329 819362272 /nfs/dbraw/zinc/36/22/72/819362272.db2.gz 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SXOYLXDMAOUTBA-SNVBAGLBSA-N 2 2 285.417 0.393 20 0 CCADLP CC[C@H](C(=O)NCC[NH2+]Cc1nnc(C2CC2)o1)[NH+](C)C ZINC001130198135 837722868 /nfs/dbraw/zinc/72/28/68/837722868.db2.gz WLLZNMGJBNGAEM-LLVKDONJSA-N 2 2 295.387 0.493 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)[C@H]2CCCC[N@@H+]2C)o1 ZINC001130297299 837750765 /nfs/dbraw/zinc/75/07/65/837750765.db2.gz KHGRGMWXYUEHSV-CYBMUJFWSA-N 2 2 294.399 0.927 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)[C@H]2CCCC[N@H+]2C)o1 ZINC001130297299 837750774 /nfs/dbraw/zinc/75/07/74/837750774.db2.gz KHGRGMWXYUEHSV-CYBMUJFWSA-N 2 2 294.399 0.927 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ncccn1 ZINC001130297780 837754076 /nfs/dbraw/zinc/75/40/76/837754076.db2.gz RILIXEGCPMBBLF-LBPRGKRZSA-N 2 2 277.372 0.167 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ncccn1 ZINC001130297780 837754078 /nfs/dbraw/zinc/75/40/78/837754078.db2.gz RILIXEGCPMBBLF-LBPRGKRZSA-N 2 2 277.372 0.167 20 0 CCADLP COC[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130407689 837785848 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Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[NH2+]C(C)C)C2 ZINC001130491118 837812378 /nfs/dbraw/zinc/81/23/78/837812378.db2.gz LKPNFENTQNGJQT-LLVKDONJSA-N 2 2 264.373 0.937 20 0 CCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[NH2+]C(C)C)CC2 ZINC001130491118 837812386 /nfs/dbraw/zinc/81/23/86/837812386.db2.gz LKPNFENTQNGJQT-LLVKDONJSA-N 2 2 264.373 0.937 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nccc2nccnc21 ZINC001169066458 836122237 /nfs/dbraw/zinc/12/22/37/836122237.db2.gz DADSFQZCOCQXDP-SECBINFHSA-N 2 2 270.296 0.073 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2ncoc(=O)c2c1 ZINC001169073796 836127277 /nfs/dbraw/zinc/12/72/77/836127277.db2.gz LQQJIMVVDHYTRH-SECBINFHSA-N 2 2 286.291 0.236 20 0 CCADLP COc1nc(C)ccc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169075514 836128713 /nfs/dbraw/zinc/12/87/13/836128713.db2.gz SEBUIZACRFHWON-SNVBAGLBSA-N 2 2 262.313 0.446 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]C/C=C/Cl ZINC001169228634 836163120 /nfs/dbraw/zinc/16/31/20/836163120.db2.gz NKPGNNJAPYIBHZ-HNQUOIGGSA-N 2 2 256.737 0.801 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]C[C@@H]1CCCOC1 ZINC001169205241 836167912 /nfs/dbraw/zinc/16/79/12/836167912.db2.gz VUEMXOSREVCUJE-LBPRGKRZSA-N 2 2 280.372 0.475 20 0 CCADLP CCOC1CC(C[NH2+]CCCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001169205271 836168327 /nfs/dbraw/zinc/16/83/27/836168327.db2.gz WTQWCFXXXQFILO-UHFFFAOYSA-N 2 2 294.399 0.863 20 0 CCADLP CC[NH+]1CCC([NH2+]Cc2cncc(C(N)=O)c2)CC1 ZINC001169241493 836173074 /nfs/dbraw/zinc/17/30/74/836173074.db2.gz LXTOKCSAQWXRRB-UHFFFAOYSA-N 2 2 262.357 0.754 20 0 CCADLP CC(=O)N1CCC[C@H]([NH2+][C@]2(C[NH3+])CN3CCC2CC3)C1 ZINC001169584962 836381653 /nfs/dbraw/zinc/38/16/53/836381653.db2.gz CFBOGMWCBOACCV-LSDHHAIUSA-N 2 2 280.416 0.010 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)C2([NH+](C)C)CCC2)o1 ZINC001129351964 836493864 /nfs/dbraw/zinc/49/38/64/836493864.db2.gz SHHAHQAQHPFINW-UHFFFAOYSA-N 2 2 280.372 0.673 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)C1([NH+](C)C)CCC1)c1csnn1 ZINC001129356219 836510296 /nfs/dbraw/zinc/51/02/96/836510296.db2.gz DQJFUCFDFWREOH-JTQLQIEISA-N 2 2 297.428 0.789 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)C2([NH+](C)C)CCC2)o1 ZINC001129358099 836513229 /nfs/dbraw/zinc/51/32/29/836513229.db2.gz PZUDVYROLLUPJM-JTQLQIEISA-N 2 2 295.387 0.629 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)C2([NH+](C)C)CCC2)[nH]1 ZINC001129358289 836513947 /nfs/dbraw/zinc/51/39/47/836513947.db2.gz RSTHKQKSXGAIHV-SNVBAGLBSA-N 2 2 294.403 0.364 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)[C@@H](O)C1 ZINC001090427210 836692314 /nfs/dbraw/zinc/69/23/14/836692314.db2.gz INFZHALGDBQWRA-AAEUAGOBSA-N 2 2 288.351 0.519 20 0 CCADLP C[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001109581058 836701185 /nfs/dbraw/zinc/70/11/85/836701185.db2.gz HHFCJMHERDIBMQ-MQYQWHSLSA-N 2 2 292.383 0.376 20 0 CCADLP C[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001109581058 836701191 /nfs/dbraw/zinc/70/11/91/836701191.db2.gz HHFCJMHERDIBMQ-MQYQWHSLSA-N 2 2 292.383 0.376 20 0 CCADLP C[C@H](O)CCC[NH+]1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001112808567 836921563 /nfs/dbraw/zinc/92/15/63/836921563.db2.gz HHXLSYFOLQLHAE-ZDUSSCGKSA-N 2 2 294.399 0.648 20 0 CCADLP C[NH+](C)CCC(=O)N1CC[NH+](CCOCC2CC2)CC1 ZINC001113301695 837079347 /nfs/dbraw/zinc/07/93/47/837079347.db2.gz UTQAZYGNDCCONN-UHFFFAOYSA-N 2 2 283.416 0.509 20 0 CCADLP COCCC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001184710292 844275596 /nfs/dbraw/zinc/27/55/96/844275596.db2.gz ZHIRUYAVTGPMMK-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP COCCC[NH2+]CCNC(=O)c1cccc2[nH+]ccn21 ZINC001131270379 838029267 /nfs/dbraw/zinc/02/92/67/838029267.db2.gz JFCRKLIOJPCUGK-UHFFFAOYSA-N 2 2 276.340 0.690 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC[NH2+]CCF ZINC001131822660 838232493 /nfs/dbraw/zinc/23/24/93/838232493.db2.gz RKQLPYBZCHVCDU-GFCCVEGCSA-N 2 2 275.368 0.163 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC[NH2+]CCF ZINC001131822660 838232505 /nfs/dbraw/zinc/23/25/05/838232505.db2.gz RKQLPYBZCHVCDU-GFCCVEGCSA-N 2 2 275.368 0.163 20 0 CCADLP CC(C)[NH2+]CCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001131824966 838235448 /nfs/dbraw/zinc/23/54/48/838235448.db2.gz JKXJJGMANQNTJF-AWEZNQCLSA-N 2 2 283.416 0.602 20 0 CCADLP CC(C)[NH2+]CCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001131824966 838235458 /nfs/dbraw/zinc/23/54/58/838235458.db2.gz JKXJJGMANQNTJF-AWEZNQCLSA-N 2 2 283.416 0.602 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]CCOCC(F)F ZINC001132082988 838314104 /nfs/dbraw/zinc/31/41/04/838314104.db2.gz ZQDHUGIZCAXFSJ-UHFFFAOYSA-N 2 2 290.314 0.261 20 0 CCADLP CC(C)OCC[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132082543 838315103 /nfs/dbraw/zinc/31/51/03/838315103.db2.gz RCKUGAIBTPNPPF-UHFFFAOYSA-N 2 2 268.361 0.404 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@@H+]1CCO ZINC001132091355 838316305 /nfs/dbraw/zinc/31/63/05/838316305.db2.gz WCSHTHILRLTVPO-DGCLKSJQSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@H+]1CCO ZINC001132091355 838316310 /nfs/dbraw/zinc/31/63/10/838316310.db2.gz WCSHTHILRLTVPO-DGCLKSJQSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@@H+]1CCO ZINC001132091355 838316315 /nfs/dbraw/zinc/31/63/15/838316315.db2.gz WCSHTHILRLTVPO-DGCLKSJQSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@]1(C[NH3+])CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001158675843 838450616 /nfs/dbraw/zinc/45/06/16/838450616.db2.gz UOQNDMANEODXGA-OAHLLOKOSA-N 2 2 291.399 0.878 20 0 CCADLP C[C@]1(C[NH3+])CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001158675843 838450620 /nfs/dbraw/zinc/45/06/20/838450620.db2.gz UOQNDMANEODXGA-OAHLLOKOSA-N 2 2 291.399 0.878 20 0 CCADLP Cc1noc([C@H](C)[NH2+]CCNC(=O)C2(C[NH+](C)C)CC2)n1 ZINC001132996917 838534235 /nfs/dbraw/zinc/53/42/35/838534235.db2.gz BPVPNMPTXUSIAH-JTQLQIEISA-N 2 2 295.387 0.487 20 0 CCADLP C[NH+]1CCC(C(=O)NCC[NH2+]Cc2csnn2)CC1 ZINC001133285840 838588710 /nfs/dbraw/zinc/58/87/10/838588710.db2.gz KVOKQNRCMRTVBO-UHFFFAOYSA-N 2 2 283.401 0.086 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)C2CC[NH+](C)CC2)nc1 ZINC001133287987 838590066 /nfs/dbraw/zinc/59/00/66/838590066.db2.gz QRKDCIQDVHIOBT-UHFFFAOYSA-N 2 2 291.399 0.333 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C)n1 ZINC001133434689 838635633 /nfs/dbraw/zinc/63/56/33/838635633.db2.gz ZDBMERJIANMCHE-ZYHUDNBSSA-N 2 2 297.403 0.731 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2csnn2)C1 ZINC001133842353 838743377 /nfs/dbraw/zinc/74/33/77/838743377.db2.gz MNODMGLOAOLLDO-SNVBAGLBSA-N 2 2 283.401 0.086 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2csnn2)C1 ZINC001133842353 838743382 /nfs/dbraw/zinc/74/33/82/838743382.db2.gz MNODMGLOAOLLDO-SNVBAGLBSA-N 2 2 283.401 0.086 20 0 CCADLP C[N@H+](CC(=O)NCC[NH2+]Cc1cnon1)CC(C)(C)C ZINC001133906509 838770941 /nfs/dbraw/zinc/77/09/41/838770941.db2.gz ZEQDWBLEPZGDIO-UHFFFAOYSA-N 2 2 283.376 0.253 20 0 CCADLP C[N@@H+](CC(=O)NCC[NH2+]Cc1cnon1)CC(C)(C)C ZINC001133906509 838770946 /nfs/dbraw/zinc/77/09/46/838770946.db2.gz ZEQDWBLEPZGDIO-UHFFFAOYSA-N 2 2 283.376 0.253 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]Cc1cccc(F)c1 ZINC001134396563 838966994 /nfs/dbraw/zinc/96/69/94/838966994.db2.gz AIEGFYRZZZCZBH-UHFFFAOYSA-N 2 2 276.315 0.997 20 0 CCADLP C[C@H](CC(=O)NCC[NH2+]C[C@H]1CCCOC1)n1cc[nH+]c1 ZINC001134498932 838994339 /nfs/dbraw/zinc/99/43/39/838994339.db2.gz RYGJIWMUENBEGO-ZIAGYGMSSA-N 2 2 294.399 0.967 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1)C(=O)N(C)C ZINC001134517658 839000281 /nfs/dbraw/zinc/00/02/81/839000281.db2.gz NRMQSKDJJXQYBJ-NWDGAFQWSA-N 2 2 295.387 0.017 20 0 CCADLP Cc1nc(N[C@H]2C[NH2+]C[C@@H]2CO)c2c([nH+]1)CCCC2 ZINC001170777615 839104521 /nfs/dbraw/zinc/10/45/21/839104521.db2.gz RHMGNWDMZGEKMX-MFKMUULPSA-N 2 2 262.357 0.656 20 0 CCADLP CC(C)Oc1cc(N[C@H]2C[NH2+]C[C@@H]2CO)cc[nH+]1 ZINC001170782978 839132447 /nfs/dbraw/zinc/13/24/47/839132447.db2.gz WVSNMOCHNIDOLD-PWSUYJOCSA-N 2 2 251.330 0.861 20 0 CCADLP Cc1cc(N[C@@H]2C[NH2+]C[C@@H]2CO)cc(OC(F)F)[nH+]1 ZINC001170786734 839143354 /nfs/dbraw/zinc/14/33/54/839143354.db2.gz ADKXLIWYRNHHBH-PSASIEDQSA-N 2 2 273.283 0.984 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]C[C@H]1CCCCO1 ZINC001135079772 839156145 /nfs/dbraw/zinc/15/61/45/839156145.db2.gz CSLCTVOXLCOQIF-TZMCWYRMSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]C[C@H]1CCCCO1 ZINC001135079772 839156148 /nfs/dbraw/zinc/15/61/48/839156148.db2.gz CSLCTVOXLCOQIF-TZMCWYRMSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]C[C@@H]1CCCCO1 ZINC001135079771 839156559 /nfs/dbraw/zinc/15/65/59/839156559.db2.gz CSLCTVOXLCOQIF-OCCSQVGLSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]C[C@@H]1CCCCO1 ZINC001135079771 839156564 /nfs/dbraw/zinc/15/65/64/839156564.db2.gz CSLCTVOXLCOQIF-OCCSQVGLSA-N 2 2 294.399 0.863 20 0 CCADLP C[NH+](C)Cc1ccc(C(=O)NCCC[NH+]2CCOCC2)o1 ZINC001135418220 839243977 /nfs/dbraw/zinc/24/39/77/839243977.db2.gz FPCNAGUUMZICLA-UHFFFAOYSA-N 2 2 295.383 0.793 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001135508737 839267637 /nfs/dbraw/zinc/26/76/37/839267637.db2.gz YJCAZEMIHCREOH-UHFFFAOYSA-N 2 2 295.387 0.495 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[NH2+][C@@H](C)c1nc(C)no1 ZINC001135512855 839280640 /nfs/dbraw/zinc/28/06/40/839280640.db2.gz ALRGSXSYKXMPHA-JTQLQIEISA-N 2 2 283.376 0.487 20 0 CCADLP C[C@H](O)CCC[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159537497 839361881 /nfs/dbraw/zinc/36/18/81/839361881.db2.gz XNLBLSIMFMQOKM-LBPRGKRZSA-N 2 2 282.388 0.599 20 0 CCADLP C[C@H](O)CCC[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159537497 839361894 /nfs/dbraw/zinc/36/18/94/839361894.db2.gz XNLBLSIMFMQOKM-LBPRGKRZSA-N 2 2 282.388 0.599 20 0 CCADLP O=C(N1CCC([NH2+][C@H]2CC[NH2+]C[C@@H]2F)CC1)C(F)(F)F ZINC001246087410 839601325 /nfs/dbraw/zinc/60/13/25/839601325.db2.gz NZXSLXVRWAYGFT-UWVGGRQHSA-N 2 2 297.296 0.829 20 0 CCADLP CC[C@@]1(C(=O)OC)C[C@H](N[C@H]2CC[C@H](C)[NH2+]C2)C[NH2+]1 ZINC001246086752 839602020 /nfs/dbraw/zinc/60/20/20/839602020.db2.gz VUHAQCACBFUGOC-MNXVOIDGSA-N 2 2 269.389 0.400 20 0 CCADLP CCOC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]C2)CCN1 ZINC001246119102 839629784 /nfs/dbraw/zinc/62/97/84/839629784.db2.gz BJYACCSMWGTXEW-SRVKXCTJSA-N 2 2 255.362 0.012 20 0 CCADLP C([NH2+][C@@H]1CCC[NH2+]CC1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001246127701 839632885 /nfs/dbraw/zinc/63/28/85/839632885.db2.gz OXKVFMMOBQJTFJ-KGLIPLIRSA-N 3 2 266.433 0.592 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2C[NH2+]CC23CC3)CN1 ZINC001246134689 839636815 /nfs/dbraw/zinc/63/68/15/839636815.db2.gz RPTOYINECNWOGG-WOPDTQHZSA-N 2 2 267.373 0.012 20 0 CCADLP CCOC(=O)CN(CC[NH3+])c1cn2cc[nH+]c2cc1OC ZINC001170996089 839685675 /nfs/dbraw/zinc/68/56/75/839685675.db2.gz HZTWFMUZJDDIKM-UHFFFAOYSA-N 2 2 292.339 0.671 20 0 CCADLP CCOC(=O)[C@H](N)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001246414756 839835118 /nfs/dbraw/zinc/83/51/18/839835118.db2.gz BPQBTMXVZTYPJO-CYBMUJFWSA-N 2 2 269.389 0.341 20 0 CCADLP CC(=O)N1CC(Nc2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)C1 ZINC001171080419 839848925 /nfs/dbraw/zinc/84/89/25/839848925.db2.gz TXHRBWJTRBPJHA-CQSZACIVSA-N 2 2 288.395 0.862 20 0 CCADLP CC(=O)N1CC(Nc2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)C1 ZINC001171080419 839848940 /nfs/dbraw/zinc/84/89/40/839848940.db2.gz TXHRBWJTRBPJHA-CQSZACIVSA-N 2 2 288.395 0.862 20 0 CCADLP COC(=O)C[C@@H](C)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001160532780 839994071 /nfs/dbraw/zinc/99/40/71/839994071.db2.gz FVQREHICSUERDG-LLVKDONJSA-N 2 2 278.356 0.855 20 0 CCADLP CCOC(=O)CC1CCC([N@@H+]2C[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246560131 840024088 /nfs/dbraw/zinc/02/40/88/840024088.db2.gz UBTODQZNFWXVKL-FIYWTHMPSA-N 2 2 270.373 0.502 20 0 CCADLP CCOC(=O)CC1CCC([N@H+]2C[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246560131 840024091 /nfs/dbraw/zinc/02/40/91/840024091.db2.gz UBTODQZNFWXVKL-FIYWTHMPSA-N 2 2 270.373 0.502 20 0 CCADLP C[N@@H+]1CCC[C@@H]([NH+]2CCCC[C@](O)(C[NH3+])C2)CC1 ZINC001246561625 840027376 /nfs/dbraw/zinc/02/73/76/840027376.db2.gz RIDYPNBGCUNUAZ-KGLIPLIRSA-N 3 2 255.406 0.646 20 0 CCADLP C[N@H+]1CCC[C@@H]([NH+]2CCCC[C@](O)(C[NH3+])C2)CC1 ZINC001246561625 840027383 /nfs/dbraw/zinc/02/73/83/840027383.db2.gz RIDYPNBGCUNUAZ-KGLIPLIRSA-N 3 2 255.406 0.646 20 0 CCADLP C[NH+]1CCC[C@@H]([N@@H+]2CCCC[C@](O)(C[NH3+])C2)CC1 ZINC001246561625 840027389 /nfs/dbraw/zinc/02/73/89/840027389.db2.gz RIDYPNBGCUNUAZ-KGLIPLIRSA-N 3 2 255.406 0.646 20 0 CCADLP C[NH+]1CCC[C@@H]([N@H+]2CCCC[C@](O)(C[NH3+])C2)CC1 ZINC001246561625 840027397 /nfs/dbraw/zinc/02/73/97/840027397.db2.gz RIDYPNBGCUNUAZ-KGLIPLIRSA-N 3 2 255.406 0.646 20 0 CCADLP O=C(C[N@H+]1CC[C@H](O)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001186046116 844496334 /nfs/dbraw/zinc/49/63/34/844496334.db2.gz ZGBHIVMIVAIRFV-RYUDHWBXSA-N 2 2 278.356 0.182 20 0 CCADLP O=C(C[N@@H+]1CC[C@H](O)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001186046116 844496339 /nfs/dbraw/zinc/49/63/39/844496339.db2.gz ZGBHIVMIVAIRFV-RYUDHWBXSA-N 2 2 278.356 0.182 20 0 CCADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C[C@@H](O)[C@@H](C[NH3+])C1)C2 ZINC001246581073 840118702 /nfs/dbraw/zinc/11/87/02/840118702.db2.gz PCCWMVIRHOUQND-PDWCTOEPSA-N 3 2 253.390 0.253 20 0 CCADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C[C@@H](O)[C@@H](C[NH3+])C1)C2 ZINC001246581073 840118709 /nfs/dbraw/zinc/11/87/09/840118709.db2.gz PCCWMVIRHOUQND-PDWCTOEPSA-N 3 2 253.390 0.253 20 0 CCADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1)C2 ZINC001246581073 840118713 /nfs/dbraw/zinc/11/87/13/840118713.db2.gz PCCWMVIRHOUQND-PDWCTOEPSA-N 3 2 253.390 0.253 20 0 CCADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1)C2 ZINC001246581073 840118728 /nfs/dbraw/zinc/11/87/28/840118728.db2.gz PCCWMVIRHOUQND-PDWCTOEPSA-N 3 2 253.390 0.253 20 0 CCADLP CC[C@@H](C[NH2+]CCCNC(=O)Cc1c[nH+]cn1C)OC ZINC001171236776 840173435 /nfs/dbraw/zinc/17/34/35/840173435.db2.gz BRWHNEXWBIBVBI-ZDUSSCGKSA-N 2 2 282.388 0.484 20 0 CCADLP C[C@@H]1CC[C@@H]([N@@H+]2CCOCC3(CC[NH2+]CC3)C2)C[NH2+]1 ZINC001246611427 840176258 /nfs/dbraw/zinc/17/62/58/840176258.db2.gz GHFPRNCLNNIEME-ZIAGYGMSSA-N 3 2 267.417 0.829 20 0 CCADLP C[C@@H]1CC[C@@H]([N@H+]2CCOCC3(CC[NH2+]CC3)C2)C[NH2+]1 ZINC001246611427 840176264 /nfs/dbraw/zinc/17/62/64/840176264.db2.gz GHFPRNCLNNIEME-ZIAGYGMSSA-N 3 2 267.417 0.829 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]Cc1cnns1 ZINC001171238549 840179230 /nfs/dbraw/zinc/17/92/30/840179230.db2.gz SKPSWNVTFBEBQA-UHFFFAOYSA-N 2 2 294.384 0.110 20 0 CCADLP COC[C@@H](C)[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171244908 840187351 /nfs/dbraw/zinc/18/73/51/840187351.db2.gz VPKIJFVTFOIRJW-LLVKDONJSA-N 2 2 268.361 0.093 20 0 CCADLP O=C(NCC[NH2+]CCCO)c1cccc(-n2cc[nH+]c2)c1 ZINC001146473773 840310260 /nfs/dbraw/zinc/31/02/60/840310260.db2.gz GNFGLEKJQUVCIZ-UHFFFAOYSA-N 2 2 288.351 0.574 20 0 CCADLP O=C(NCC[NH2+]CCCF)c1cc(-n2cc[nH+]c2)ccn1 ZINC001146519894 840317510 /nfs/dbraw/zinc/31/75/10/840317510.db2.gz PEJCDRSYPWOITO-UHFFFAOYSA-N 2 2 291.330 0.946 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC001149123227 840322488 /nfs/dbraw/zinc/32/24/88/840322488.db2.gz IWZFRVQFIPKBRT-PWSUYJOCSA-N 2 2 280.372 0.534 20 0 CCADLP CC[N@H+](C)CCC(=O)NCC[NH2+]Cc1cnsn1 ZINC001146710221 840347060 /nfs/dbraw/zinc/34/70/60/840347060.db2.gz GLCRNILBFUVLIL-UHFFFAOYSA-N 2 2 271.390 0.086 20 0 CCADLP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1cnsn1 ZINC001146710221 840347072 /nfs/dbraw/zinc/34/70/72/840347072.db2.gz GLCRNILBFUVLIL-UHFFFAOYSA-N 2 2 271.390 0.086 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CCOCC1CCC1 ZINC001149124933 840638821 /nfs/dbraw/zinc/63/88/21/840638821.db2.gz XRADGSOTJJWSQK-UHFFFAOYSA-N 2 2 294.399 0.783 20 0 CCADLP C[C@H]1CC[C@H]([NH+]2CCC3(CCC(=O)N3)CC2)C[NH2+]1 ZINC001246970167 840649236 /nfs/dbraw/zinc/64/92/36/840649236.db2.gz XTOSWGALWHHMJO-RYUDHWBXSA-N 2 2 251.374 0.872 20 0 CCADLP COCCOC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000234873676 840710110 /nfs/dbraw/zinc/71/01/10/840710110.db2.gz OOMLREIBHMVBOB-QLFBSQMISA-N 2 2 286.416 0.617 20 0 CCADLP COCCOC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000234873676 840710117 /nfs/dbraw/zinc/71/01/17/840710117.db2.gz OOMLREIBHMVBOB-QLFBSQMISA-N 2 2 286.416 0.617 20 0 CCADLP C[NH+](C)C1(CNC(=O)NCC2CC2)CC[NH+](C)CC1 ZINC001186629117 844576635 /nfs/dbraw/zinc/57/66/35/844576635.db2.gz BKPFUBAIXXQJCL-UHFFFAOYSA-N 2 2 268.405 0.722 20 0 CCADLP CCC[N@H+](C)CCC(=O)NCC[NH2+][C@H](C)c1nc(C)no1 ZINC001148578493 840850205 /nfs/dbraw/zinc/85/02/05/840850205.db2.gz VJGHYGQSUASGGU-LLVKDONJSA-N 2 2 297.403 0.877 20 0 CCADLP CCC[N@@H+](C)CCC(=O)NCC[NH2+][C@H](C)c1nc(C)no1 ZINC001148578493 840850223 /nfs/dbraw/zinc/85/02/23/840850223.db2.gz VJGHYGQSUASGGU-LLVKDONJSA-N 2 2 297.403 0.877 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1ncc(CC)o1 ZINC001148638087 840874197 /nfs/dbraw/zinc/87/41/97/840874197.db2.gz BKWNBYMBDORTHW-UHFFFAOYSA-N 2 2 282.388 0.785 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1ncc(CC)o1 ZINC001148638087 840874214 /nfs/dbraw/zinc/87/42/14/840874214.db2.gz BKWNBYMBDORTHW-UHFFFAOYSA-N 2 2 282.388 0.785 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H]2CC3(CO2)CCOCC3)C[C@H]1[NH3+] ZINC000712686818 841104587 /nfs/dbraw/zinc/10/45/87/841104587.db2.gz FBUFCXRBZXIAIM-JHJVBQTASA-N 2 2 254.374 0.851 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H]2CC3(CO2)CCOCC3)C[C@H]1[NH3+] ZINC000712686818 841104593 /nfs/dbraw/zinc/10/45/93/841104593.db2.gz FBUFCXRBZXIAIM-JHJVBQTASA-N 2 2 254.374 0.851 20 0 CCADLP C[C@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)[C@H]1CCCC[NH2+]1 ZINC000714244754 841186919 /nfs/dbraw/zinc/18/69/19/841186919.db2.gz QKIGRJJTIJGCTK-FIQHERPVSA-N 2 2 260.403 0.682 20 0 CCADLP Cc1nc(NCCNC(=O)C[NH+]2CCCC2)cc[nH+]1 ZINC001093652093 841401913 /nfs/dbraw/zinc/40/19/13/841401913.db2.gz FCVDFJMCDGGZFP-UHFFFAOYSA-N 2 2 263.345 0.409 20 0 CCADLP COCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC001036909266 841686247 /nfs/dbraw/zinc/68/62/47/841686247.db2.gz BQWKNHJMBJJMAX-ZIAGYGMSSA-N 2 2 292.383 0.452 20 0 CCADLP COCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC001036909266 841686250 /nfs/dbraw/zinc/68/62/50/841686250.db2.gz BQWKNHJMBJJMAX-ZIAGYGMSSA-N 2 2 292.383 0.452 20 0 CCADLP CCN1CC[C@@H]([NH2+][C@]2(C[NH3+])CN3CCC2CC3)CC1=O ZINC001172034521 841811947 /nfs/dbraw/zinc/81/19/47/841811947.db2.gz DGTKOEBULNNRCJ-UKRRQHHQSA-N 2 2 280.416 0.010 20 0 CCADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172151343 841862977 /nfs/dbraw/zinc/86/29/77/841862977.db2.gz UOESMUUUVIHLHZ-UPJWGTAASA-N 2 2 251.374 0.824 20 0 CCADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172151343 841862981 /nfs/dbraw/zinc/86/29/81/841862981.db2.gz UOESMUUUVIHLHZ-UPJWGTAASA-N 2 2 251.374 0.824 20 0 CCADLP [NH3+]CCC(=O)NCCc1c[nH+]cn1C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172233651 841900271 /nfs/dbraw/zinc/90/02/71/841900271.db2.gz CYBODADGHOZIIQ-AGUYFDCRSA-N 2 2 290.367 0.549 20 0 CCADLP COCCC[NH+]1CCC([NH2+][C@@]2(C)CCC(=O)NC2=O)CC1 ZINC001172246583 841910083 /nfs/dbraw/zinc/91/00/83/841910083.db2.gz OJSDPBVILXLKHR-HNNXBMFYSA-N 2 2 297.399 0.272 20 0 CCADLP COC(=O)[C@@H]1CCC[C@H]([NH2+]C2(C[NH3+])COC2)CC1 ZINC001172772948 841972795 /nfs/dbraw/zinc/97/27/95/841972795.db2.gz PUYVNBLBCQXJJU-MNOVXSKESA-N 2 2 256.346 0.426 20 0 CCADLP CO[C@@H]1CCC[C@H]([NH2+]C2(CO)CC[NH+](C)CC2)C1 ZINC001172934055 841986668 /nfs/dbraw/zinc/98/66/68/841986668.db2.gz PDRJEIYXRRFNSM-QWHCGFSZSA-N 2 2 256.390 0.990 20 0 CCADLP C[NH+]1CCC(CO)([NH2+][C@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173749843 842147003 /nfs/dbraw/zinc/14/70/03/842147003.db2.gz LTCDSMMJLNRIBP-QWHCGFSZSA-N 2 2 294.403 0.203 20 0 CCADLP C[C@H](CCCC[NH2+]CCCO)NC(=O)CCn1cc[nH+]c1 ZINC001174581616 842191615 /nfs/dbraw/zinc/19/16/15/842191615.db2.gz VCJSUIHGKNMEPY-CQSZACIVSA-N 2 2 296.415 0.920 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]CCOC1CCC1 ZINC001174690652 842201268 /nfs/dbraw/zinc/20/12/68/842201268.db2.gz FEPPHTIQDVLHEI-UHFFFAOYSA-N 2 2 294.399 0.926 20 0 CCADLP Cc1nc([C@H](C)[NH2+]CCCNC(=O)[C@H]2CC[N@H+](C)C2)no1 ZINC001176057027 842317912 /nfs/dbraw/zinc/31/79/12/842317912.db2.gz MFWMFAICHZEQPY-JQWIXIFHSA-N 2 2 295.387 0.487 20 0 CCADLP Cc1nc([C@H](C)[NH2+]CCCNC(=O)[C@H]2CC[N@@H+](C)C2)no1 ZINC001176057027 842317926 /nfs/dbraw/zinc/31/79/26/842317926.db2.gz MFWMFAICHZEQPY-JQWIXIFHSA-N 2 2 295.387 0.487 20 0 CCADLP Cc1cc(C[NH2+]CCCNC(=O)Cn2cc[nH+]c2C)no1 ZINC001176125471 842332267 /nfs/dbraw/zinc/33/22/67/842332267.db2.gz DXNJSTZMCZNIHO-UHFFFAOYSA-N 2 2 291.355 0.784 20 0 CCADLP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)Cc1c[nH+]c[nH]1 ZINC001176836762 842420526 /nfs/dbraw/zinc/42/05/26/842420526.db2.gz VMNZCOPDNYMCPJ-UHFFFAOYSA-N 3 2 266.349 0.016 20 0 CCADLP CO[C@H](C)C[NH2+]CCCNC(=O)CCCn1cc[nH+]c1 ZINC001177351720 842563234 /nfs/dbraw/zinc/56/32/34/842563234.db2.gz ODSGKXCWLPTZAG-CYBMUJFWSA-N 2 2 282.388 0.794 20 0 CCADLP CCN(CC[NH+]1CCOCC1)C(=S)NCC[NH+](C)C ZINC001249836133 842681175 /nfs/dbraw/zinc/68/11/75/842681175.db2.gz ACUQLKPTZAKYIX-UHFFFAOYSA-N 2 2 288.461 0.077 20 0 CCADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@@H]1C[NH+]2CCC1CC2 ZINC001179900323 843072852 /nfs/dbraw/zinc/07/28/52/843072852.db2.gz VTEKYPDOMIADEV-BGTMTDRBSA-N 2 2 293.411 0.333 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001180288243 843142465 /nfs/dbraw/zinc/14/24/65/843142465.db2.gz VSDNUCHSBGYMGB-AGIUHOORSA-N 2 2 280.372 0.497 20 0 CCADLP C[C@H](O)C[NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1 ZINC001180470724 843186370 /nfs/dbraw/zinc/18/63/70/843186370.db2.gz RDDAQHXNVFIBAC-ZDUSSCGKSA-N 2 2 282.388 0.530 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCCC[C@H]2C[NH+]2CCCC2)C1 ZINC001180761440 843289073 /nfs/dbraw/zinc/28/90/73/843289073.db2.gz ZBJCWQXDASVKJJ-LSDHHAIUSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2CCCC[C@H]2C[NH+]2CCCC2)C1 ZINC001180761440 843289079 /nfs/dbraw/zinc/28/90/79/843289079.db2.gz ZBJCWQXDASVKJJ-LSDHHAIUSA-N 2 2 295.427 0.794 20 0 CCADLP Cc1c[nH]c(CCNC(=O)C23CC[NH+](CC2)CC3)[nH+]1 ZINC001181552139 843523868 /nfs/dbraw/zinc/52/38/68/843523868.db2.gz NRUXEHPGVSGOOE-UHFFFAOYSA-N 2 2 262.357 0.863 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001151048960 843548978 /nfs/dbraw/zinc/54/89/78/843548978.db2.gz FSHZUQFTUZUDAP-LLVKDONJSA-N 2 2 266.345 0.141 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001151048960 843548984 /nfs/dbraw/zinc/54/89/84/843548984.db2.gz FSHZUQFTUZUDAP-LLVKDONJSA-N 2 2 266.345 0.141 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC(=N)SCC[NH3+] ZINC001181996856 843668658 /nfs/dbraw/zinc/66/86/58/843668658.db2.gz NZGIFFSDDNUYHP-VIFPVBQESA-N 2 2 258.391 0.604 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)NC(=N)SCC[NH3+] ZINC001181996856 843668665 /nfs/dbraw/zinc/66/86/65/843668665.db2.gz NZGIFFSDDNUYHP-VIFPVBQESA-N 2 2 258.391 0.604 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC001181981553 843659135 /nfs/dbraw/zinc/65/91/35/843659135.db2.gz GOLOMBGZSOKFFV-QWHCGFSZSA-N 2 2 269.389 0.164 20 0 CCADLP CC(C)[N@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC001181981553 843659142 /nfs/dbraw/zinc/65/91/42/843659142.db2.gz GOLOMBGZSOKFFV-QWHCGFSZSA-N 2 2 269.389 0.164 20 0 CCADLP CC(C)[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC001181981553 843659148 /nfs/dbraw/zinc/65/91/48/843659148.db2.gz GOLOMBGZSOKFFV-QWHCGFSZSA-N 2 2 269.389 0.164 20 0 CCADLP CC(C)[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001181981553 843659153 /nfs/dbraw/zinc/65/91/53/843659153.db2.gz GOLOMBGZSOKFFV-QWHCGFSZSA-N 2 2 269.389 0.164 20 0 CCADLP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCc2[nH+]ccn2CC1 ZINC001182013512 843691772 /nfs/dbraw/zinc/69/17/72/843691772.db2.gz PFKYVJOLMUDAOH-CYBMUJFWSA-N 2 2 274.368 0.610 20 0 CCADLP C[NH+]1CCC([NH2+][C@@H]2C[C@H]3CCCCN3C2=O)CC1 ZINC001182202650 843753893 /nfs/dbraw/zinc/75/38/93/843753893.db2.gz CJIFYUHMKNTVBQ-CHWSQXEVSA-N 2 2 251.374 0.824 20 0 CCADLP CCOCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001187420246 844721414 /nfs/dbraw/zinc/72/14/14/844721414.db2.gz HLQAEXRLVGQGLB-GFCCVEGCSA-N 2 2 280.372 0.488 20 0 CCADLP CC[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192580523 845878228 /nfs/dbraw/zinc/87/82/28/845878228.db2.gz HJNLIYFGAZNSAE-YNEHKIRRSA-N 2 2 294.399 0.550 20 0 CCADLP CC[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192580523 845878237 /nfs/dbraw/zinc/87/82/37/845878237.db2.gz HJNLIYFGAZNSAE-YNEHKIRRSA-N 2 2 294.399 0.550 20 0 CCADLP COCC[N@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193048278 845964115 /nfs/dbraw/zinc/96/41/15/845964115.db2.gz NESWIIHVODLXFY-LLVKDONJSA-N 2 2 266.345 0.131 20 0 CCADLP COCC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193048278 845964119 /nfs/dbraw/zinc/96/41/19/845964119.db2.gz NESWIIHVODLXFY-LLVKDONJSA-N 2 2 266.345 0.131 20 0 CCADLP CC(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001193602471 846137811 /nfs/dbraw/zinc/13/78/11/846137811.db2.gz VVHCMPVXMRTQDS-ZIAGYGMSSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001193602471 846137814 /nfs/dbraw/zinc/13/78/14/846137814.db2.gz 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C[C@H](CC[NH2+]Cc1cnc2n1CCOC2)[NH+](C)C ZINC000722862564 850165268 /nfs/dbraw/zinc/16/52/68/850165268.db2.gz NMZQJALEFVZDLP-LLVKDONJSA-N 2 2 252.362 0.843 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001039442946 850191846 /nfs/dbraw/zinc/19/18/46/850191846.db2.gz BOHGHNRUNJYRBO-BNOWGMLFSA-N 2 2 292.383 0.398 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001039442946 850191853 /nfs/dbraw/zinc/19/18/53/850191853.db2.gz BOHGHNRUNJYRBO-BNOWGMLFSA-N 2 2 292.383 0.398 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CCCO)C1 ZINC001043198021 850830355 /nfs/dbraw/zinc/83/03/55/850830355.db2.gz ACHXWJUTCOLPIY-HNNXBMFYSA-N 2 2 297.443 0.632 20 0 CCADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CCCO)C1 ZINC001043198021 850830362 /nfs/dbraw/zinc/83/03/62/850830362.db2.gz ACHXWJUTCOLPIY-HNNXBMFYSA-N 2 2 297.443 0.632 20 0 CCADLP CC[C@H](C[NH+]1CC(N(C)C(=O)Cn2c[nH+]cc2C)C1)OC ZINC001043357065 850859346 /nfs/dbraw/zinc/85/93/46/850859346.db2.gz IQGGKYIWZBGXRG-CQSZACIVSA-N 2 2 294.399 0.759 20 0 CCADLP CCC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001043628111 850910785 /nfs/dbraw/zinc/91/07/85/850910785.db2.gz JCLYAICQVMONLY-AWEZNQCLSA-N 2 2 283.416 0.648 20 0 CCADLP CCC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001043628111 850910794 /nfs/dbraw/zinc/91/07/94/850910794.db2.gz JCLYAICQVMONLY-AWEZNQCLSA-N 2 2 283.416 0.648 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001044186277 851035386 /nfs/dbraw/zinc/03/53/86/851035386.db2.gz MMZKGFFKLBVPTB-LBPRGKRZSA-N 2 2 269.389 0.117 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001044186277 851035399 /nfs/dbraw/zinc/03/53/99/851035399.db2.gz MMZKGFFKLBVPTB-LBPRGKRZSA-N 2 2 269.389 0.117 20 0 CCADLP C[C@@H](O)C[NH+]1CC(N(C)C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001044194432 851037538 /nfs/dbraw/zinc/03/75/38/851037538.db2.gz IGRZOGXMWZEAJI-LLVKDONJSA-N 2 2 292.383 0.285 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1C[NH+](C[C@H]2CCOC2)C1 ZINC001044234171 851047847 /nfs/dbraw/zinc/04/78/47/851047847.db2.gz WIAKFFUDHSEAKO-GFCCVEGCSA-N 2 2 292.383 0.440 20 0 CCADLP CCC[NH+]1CC(N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001044233700 851049152 /nfs/dbraw/zinc/04/91/52/851049152.db2.gz GURVOWJSZJZRSC-UHFFFAOYSA-N 2 2 250.346 0.813 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCO)CCN1C(=O)CCn1cc[nH+]c1 ZINC001044694568 851143123 /nfs/dbraw/zinc/14/31/23/851143123.db2.gz RBAVPWUWQGEQIS-STQMWFEESA-N 2 2 280.372 0.235 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCF)CCN1C(=O)Cc1c[nH+]cn1C ZINC001044820824 851165311 /nfs/dbraw/zinc/16/53/11/851165311.db2.gz RWGGOWMGOWYNCV-VXGBXAGGSA-N 2 2 282.363 0.901 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)NC2(C)CC[NH+](CCF)CC2)C1 ZINC001045398053 851247957 /nfs/dbraw/zinc/24/79/57/851247957.db2.gz SKVFTKLBNROBRM-GFCCVEGCSA-N 2 2 287.379 0.257 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)NC2(C)CC[NH+](CCF)CC2)C1 ZINC001045398053 851247963 /nfs/dbraw/zinc/24/79/63/851247963.db2.gz SKVFTKLBNROBRM-GFCCVEGCSA-N 2 2 287.379 0.257 20 0 CCADLP CCC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001045397481 851249858 /nfs/dbraw/zinc/24/98/58/851249858.db2.gz DCZKLSBRPWCRIR-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001045397481 851249865 /nfs/dbraw/zinc/24/98/65/851249865.db2.gz DCZKLSBRPWCRIR-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CCF)C1 ZINC001046197813 851416286 /nfs/dbraw/zinc/41/62/86/851416286.db2.gz QWWUIMHXDYLDJF-AAEUAGOBSA-N 2 2 257.353 0.631 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[NH+](CCF)C1 ZINC001046197813 851416294 /nfs/dbraw/zinc/41/62/94/851416294.db2.gz QWWUIMHXDYLDJF-AAEUAGOBSA-N 2 2 257.353 0.631 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CCF)C1 ZINC001046197813 851416304 /nfs/dbraw/zinc/41/63/04/851416304.db2.gz QWWUIMHXDYLDJF-AAEUAGOBSA-N 2 2 257.353 0.631 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CCF)C1 ZINC001046197813 851416311 /nfs/dbraw/zinc/41/63/11/851416311.db2.gz QWWUIMHXDYLDJF-AAEUAGOBSA-N 2 2 257.353 0.631 20 0 CCADLP C[C@@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@H+](CCCO)C1 ZINC001046395744 851486615 /nfs/dbraw/zinc/48/66/15/851486615.db2.gz XEHGRORZTCSHFF-LALPHHSUSA-N 2 2 292.383 0.476 20 0 CCADLP C[C@@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@@H+](CCCO)C1 ZINC001046395744 851486624 /nfs/dbraw/zinc/48/66/24/851486624.db2.gz XEHGRORZTCSHFF-LALPHHSUSA-N 2 2 292.383 0.476 20 0 CCADLP C[C@@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@H+](CCCO)C1 ZINC001046395744 851486632 /nfs/dbraw/zinc/48/66/32/851486632.db2.gz XEHGRORZTCSHFF-LALPHHSUSA-N 2 2 292.383 0.476 20 0 CCADLP C[C@@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@@H+](CCCO)C1 ZINC001046395744 851486640 /nfs/dbraw/zinc/48/66/40/851486640.db2.gz XEHGRORZTCSHFF-LALPHHSUSA-N 2 2 292.383 0.476 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970029 852677611 /nfs/dbraw/zinc/67/76/11/852677611.db2.gz DQGMDRLYUODXJA-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP CO[C@@H](C)C[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970029 852677620 /nfs/dbraw/zinc/67/76/20/852677620.db2.gz DQGMDRLYUODXJA-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP COCC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970464 852678335 /nfs/dbraw/zinc/67/83/35/852678335.db2.gz NDSQTMNKSDHPML-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP COCC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970464 852678338 /nfs/dbraw/zinc/67/83/38/852678338.db2.gz NDSQTMNKSDHPML-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)[C@H](C1CC1)[NH+](C)C)CCO2 ZINC001053288546 852724409 /nfs/dbraw/zinc/72/44/09/852724409.db2.gz KPQWYHSZCAUSMO-AWEZNQCLSA-N 2 2 295.427 0.650 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCCC[N@@H+]1C)CCO2 ZINC001053309351 852726864 /nfs/dbraw/zinc/72/68/64/852726864.db2.gz FFFFTQJYQUCXAK-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCCC[N@H+]1C)CCO2 ZINC001053309351 852726868 /nfs/dbraw/zinc/72/68/68/852726868.db2.gz FFFFTQJYQUCXAK-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)O2 ZINC001053619194 852769832 /nfs/dbraw/zinc/76/98/32/852769832.db2.gz NDLXTNJWGXPDAR-UONOGXRCSA-N 2 2 295.427 0.840 20 0 CCADLP CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)O2 ZINC001053619194 852769833 /nfs/dbraw/zinc/76/98/33/852769833.db2.gz NDLXTNJWGXPDAR-UONOGXRCSA-N 2 2 295.427 0.840 20 0 CCADLP C(CN1CC2(COC2)C1)[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254849174 852906197 /nfs/dbraw/zinc/90/61/97/852906197.db2.gz RZXOBXSGIOJRFC-CQSZACIVSA-N 2 2 265.401 0.393 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC2(C1)CC[NH+](CCF)CC2 ZINC001050709218 853418646 /nfs/dbraw/zinc/41/86/46/853418646.db2.gz OIDGQUUOPJIIAS-UHFFFAOYSA-N 2 2 280.347 0.846 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC2(C1)CC[NH+](CCF)CC2 ZINC001050773798 853427211 /nfs/dbraw/zinc/42/72/11/853427211.db2.gz RUEHPSUYFVFYRJ-UHFFFAOYSA-N 2 2 280.347 0.777 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCC[NH+]1CC1CC1 ZINC001050849371 853461235 /nfs/dbraw/zinc/46/12/35/853461235.db2.gz WFXWNDPDNOCMBE-KGLIPLIRSA-N 2 2 281.400 0.308 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCC[NH+]1CC1CC1 ZINC001050849371 853461238 /nfs/dbraw/zinc/46/12/38/853461238.db2.gz WFXWNDPDNOCMBE-KGLIPLIRSA-N 2 2 281.400 0.308 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1COCC[N@@H+]1CC1CC1 ZINC001050849371 853461241 /nfs/dbraw/zinc/46/12/41/853461241.db2.gz WFXWNDPDNOCMBE-KGLIPLIRSA-N 2 2 281.400 0.308 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1COCC[N@H+]1CC1CC1 ZINC001050849371 853461244 /nfs/dbraw/zinc/46/12/44/853461244.db2.gz WFXWNDPDNOCMBE-KGLIPLIRSA-N 2 2 281.400 0.308 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CCO1 ZINC001051691124 853626080 /nfs/dbraw/zinc/62/60/80/853626080.db2.gz ZUSOGOZSTBFACI-QWHCGFSZSA-N 2 2 292.383 0.282 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)CCO1 ZINC001051851775 853650790 /nfs/dbraw/zinc/65/07/90/853650790.db2.gz SYPRGMBWIRTDHG-QWHCGFSZSA-N 2 2 280.372 0.671 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCO[C@@H](C[NH2+]CC2CC2)C1 ZINC001051948308 853661218 /nfs/dbraw/zinc/66/12/18/853661218.db2.gz KVETVJLCVGJWHK-ZDUSSCGKSA-N 2 2 278.356 0.110 20 0 CCADLP CCOC(=O)[C@@H]1CCC[C@@H]([N@H+](CC[NH3+])CCO)C1 ZINC001255341540 853816685 /nfs/dbraw/zinc/81/66/85/853816685.db2.gz YIONYDNTMBLAIO-VXGBXAGGSA-N 2 2 258.362 0.361 20 0 CCADLP CCOC(=O)[C@@H]1CCC[C@@H]([N@@H+](CC[NH3+])CCO)C1 ZINC001255341540 853816690 /nfs/dbraw/zinc/81/66/90/853816690.db2.gz YIONYDNTMBLAIO-VXGBXAGGSA-N 2 2 258.362 0.361 20 0 CCADLP O=C(C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)NC1CCCC1 ZINC000386103280 853916707 /nfs/dbraw/zinc/91/67/07/853916707.db2.gz KEPWLFATAHAQLY-NWDGAFQWSA-N 2 2 251.374 0.587 20 0 CCADLP O=C(C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)NC1CCCC1 ZINC000386103280 853916713 /nfs/dbraw/zinc/91/67/13/853916713.db2.gz KEPWLFATAHAQLY-NWDGAFQWSA-N 2 2 251.374 0.587 20 0 CCADLP CCC[N@@H+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001073016298 854515840 /nfs/dbraw/zinc/51/58/40/854515840.db2.gz SJGHTEJUWFIKNN-UHFFFAOYSA-N 2 2 262.357 0.897 20 0 CCADLP CCC[N@H+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001073016298 854515845 /nfs/dbraw/zinc/51/58/45/854515845.db2.gz SJGHTEJUWFIKNN-UHFFFAOYSA-N 2 2 262.357 0.897 20 0 CCADLP COC(=O)N(C)CC[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000689549919 854894066 /nfs/dbraw/zinc/89/40/66/854894066.db2.gz WJYAABSKIBKVOJ-QWRGUYRKSA-N 2 2 259.350 0.041 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001099872059 855013811 /nfs/dbraw/zinc/01/38/11/855013811.db2.gz ODIGFTJXXQUYGR-STQMWFEESA-N 2 2 280.372 0.302 20 0 CCADLP CC(C)[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001099872059 855013815 /nfs/dbraw/zinc/01/38/15/855013815.db2.gz ODIGFTJXXQUYGR-STQMWFEESA-N 2 2 280.372 0.302 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001099872059 855013819 /nfs/dbraw/zinc/01/38/19/855013819.db2.gz ODIGFTJXXQUYGR-STQMWFEESA-N 2 2 280.372 0.302 20 0 CCADLP CC(C)[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001099872059 855013823 /nfs/dbraw/zinc/01/38/23/855013823.db2.gz ODIGFTJXXQUYGR-STQMWFEESA-N 2 2 280.372 0.302 20 0 CCADLP CCCC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099940370 855039268 /nfs/dbraw/zinc/03/92/68/855039268.db2.gz UKKFXFQXXSUBMJ-KGLIPLIRSA-N 2 2 294.399 0.625 20 0 CCADLP CCCC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099940370 855039275 /nfs/dbraw/zinc/03/92/75/855039275.db2.gz UKKFXFQXXSUBMJ-KGLIPLIRSA-N 2 2 294.399 0.625 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@H](O)C1 ZINC001100138885 855106751 /nfs/dbraw/zinc/10/67/51/855106751.db2.gz MADXEWCBQGSLKZ-ZIAGYGMSSA-N 2 2 294.399 0.623 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@H](O)C1 ZINC001100138885 855106753 /nfs/dbraw/zinc/10/67/53/855106753.db2.gz MADXEWCBQGSLKZ-ZIAGYGMSSA-N 2 2 294.399 0.623 20 0 CCADLP Cc1nc(N(C)CCNC(=O)C[N@@H+]2CCC[C@H]2C)cc[nH+]1 ZINC001100342136 855151948 /nfs/dbraw/zinc/15/19/48/855151948.db2.gz NSRMQLVBKSIMSU-GFCCVEGCSA-N 2 2 291.399 0.822 20 0 CCADLP C[C@H](O)C[NH2+]C1CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001100551748 855185604 /nfs/dbraw/zinc/18/56/04/855185604.db2.gz RLNHANPBNCYQRL-HIFPTAJRSA-N 2 2 280.372 0.138 20 0 CCADLP C[C@H](CC(=O)NCC1CC([NH2+]CCCO)C1)n1cc[nH+]c1 ZINC001100716548 855214115 /nfs/dbraw/zinc/21/41/15/855214115.db2.gz GPUZJECNJGRPHZ-IYXRBSQSSA-N 2 2 294.399 0.701 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC1CC([NH2+]CCF)C1 ZINC001100790129 855225853 /nfs/dbraw/zinc/22/58/53/855225853.db2.gz QBNBUIIGSZACQG-UHFFFAOYSA-N 2 2 254.309 0.406 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC1CC([NH2+]CC2CC2)C1 ZINC001100871588 855233919 /nfs/dbraw/zinc/23/39/19/855233919.db2.gz YOIZWRZYJUSBBX-UHFFFAOYSA-N 2 2 276.384 0.857 20 0 CCADLP Cc1nc(NCCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)cc[nH+]1 ZINC001101532175 855309834 /nfs/dbraw/zinc/30/98/34/855309834.db2.gz OLIYSFXYYTYUNQ-LBPRGKRZSA-N 2 2 277.372 0.750 20 0 CCADLP Cc1nc(NCCN(C)C(=O)[C@@H]2CCC[N@H+]2C)cc[nH+]1 ZINC001101532175 855309840 /nfs/dbraw/zinc/30/98/40/855309840.db2.gz OLIYSFXYYTYUNQ-LBPRGKRZSA-N 2 2 277.372 0.750 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102031132 855409335 /nfs/dbraw/zinc/40/93/35/855409335.db2.gz TWLNVRMXQXXMBS-JHJVBQTASA-N 2 2 294.399 0.407 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102031132 855409343 /nfs/dbraw/zinc/40/93/43/855409343.db2.gz TWLNVRMXQXXMBS-JHJVBQTASA-N 2 2 294.399 0.407 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102031132 855409349 /nfs/dbraw/zinc/40/93/49/855409349.db2.gz TWLNVRMXQXXMBS-JHJVBQTASA-N 2 2 294.399 0.407 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102031132 855409356 /nfs/dbraw/zinc/40/93/56/855409356.db2.gz TWLNVRMXQXXMBS-JHJVBQTASA-N 2 2 294.399 0.407 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001114975466 855631253 /nfs/dbraw/zinc/63/12/53/855631253.db2.gz OEFQSTACEDCFCM-NHAGDIPZSA-N 2 2 294.374 0.988 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC001114975466 855631256 /nfs/dbraw/zinc/63/12/56/855631256.db2.gz OEFQSTACEDCFCM-NHAGDIPZSA-N 2 2 294.374 0.988 20 0 CCADLP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001116355927 855751457 /nfs/dbraw/zinc/75/14/57/855751457.db2.gz ZHTUIFGUSKLTQO-RYUDHWBXSA-N 2 2 262.357 0.513 20 0 CCADLP C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001116355927 855751467 /nfs/dbraw/zinc/75/14/67/855751467.db2.gz ZHTUIFGUSKLTQO-RYUDHWBXSA-N 2 2 262.357 0.513 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC001116685146 855812818 /nfs/dbraw/zinc/81/28/18/855812818.db2.gz VWJHKNNYMQTMRM-UHFFFAOYSA-N 2 2 262.357 0.706 20 0 CCADLP C[C@H](CS(C)(=O)=O)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC001117634064 856031562 /nfs/dbraw/zinc/03/15/62/856031562.db2.gz YAKGDXQFVHQJLB-RKDXNWHRSA-N 2 2 257.359 0.290 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CCCCC[NH3+] ZINC001118133775 856172411 /nfs/dbraw/zinc/17/24/11/856172411.db2.gz BQTZPJNVDLQDGF-GFCCVEGCSA-N 2 2 257.378 0.342 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)CCCCC[NH3+] ZINC001118133775 856172413 /nfs/dbraw/zinc/17/24/13/856172413.db2.gz BQTZPJNVDLQDGF-GFCCVEGCSA-N 2 2 257.378 0.342 20 0 CCADLP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001119296676 856618226 /nfs/dbraw/zinc/61/82/26/856618226.db2.gz ZOMZSPZBRSGLFS-MNOVXSKESA-N 2 2 264.329 0.232 20 0 CCADLP O=C1NCC2(CCOCC2)[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC001119689305 856837981 /nfs/dbraw/zinc/83/79/81/856837981.db2.gz HMVKXGFCIHRKHI-GFCCVEGCSA-N 2 2 278.356 0.158 20 0 CCADLP CCOCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001323262496 912232724 /nfs/dbraw/zinc/23/27/24/912232724.db2.gz OOYWKWRAIKOXSR-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP CCOCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001323262496 912232738 /nfs/dbraw/zinc/23/27/38/912232738.db2.gz OOYWKWRAIKOXSR-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP CCOCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001323262496 912232755 /nfs/dbraw/zinc/23/27/55/912232755.db2.gz OOYWKWRAIKOXSR-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP CCOCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001323262496 912232771 /nfs/dbraw/zinc/23/27/71/912232771.db2.gz OOYWKWRAIKOXSR-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001393351656 912528869 /nfs/dbraw/zinc/52/88/69/912528869.db2.gz ASBUAELTMIZJNR-QWHCGFSZSA-N 2 2 283.416 0.290 20 0 CCADLP COCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001324175994 912708238 /nfs/dbraw/zinc/70/82/38/912708238.db2.gz QWYCENJJDHMOPS-JHJVBQTASA-N 2 2 292.383 0.740 20 0 CCADLP COCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001324175994 912708247 /nfs/dbraw/zinc/70/82/47/912708247.db2.gz QWYCENJJDHMOPS-JHJVBQTASA-N 2 2 292.383 0.740 20 0 CCADLP C[C@@H](CCNC(=O)CCc1c[nH+]cn1C)[NH2+]CCF ZINC001393825728 912782628 /nfs/dbraw/zinc/78/26/28/912782628.db2.gz YOPMKNVJTVBSED-NSHDSACASA-N 2 2 270.352 0.807 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N1CC[NH+](CCCCO)CC1 ZINC001324872744 913078458 /nfs/dbraw/zinc/07/84/58/913078458.db2.gz PGQRPUXPNDINNY-HNNXBMFYSA-N 2 2 285.432 0.097 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H](CO)[NH2+]CC1CCC1 ZINC001394656212 913343325 /nfs/dbraw/zinc/34/33/25/913343325.db2.gz IWGREJZCEXLFIV-ZDUSSCGKSA-N 2 2 294.399 0.220 20 0 CCADLP C[C@@H]1C[C@@H](C[N@H+](C)CCNC(=O)Cc2c[nH]c[nH+]2)CCO1 ZINC001480918057 891803332 /nfs/dbraw/zinc/80/33/32/891803332.db2.gz VYGUBJAVJOWRJW-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H]1C[C@@H](C[N@@H+](C)CCNC(=O)Cc2c[nH]c[nH+]2)CCO1 ZINC001480918057 891803341 /nfs/dbraw/zinc/80/33/41/891803341.db2.gz VYGUBJAVJOWRJW-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+](C)C/C=C\Cl)C1 ZINC001480950796 891933209 /nfs/dbraw/zinc/93/32/09/891933209.db2.gz WDVHJAGJJRJTSF-RXNFCKPNSA-N 2 2 289.807 0.508 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+](C)C/C=C\Cl)C1 ZINC001480950796 891933222 /nfs/dbraw/zinc/93/32/22/891933222.db2.gz WDVHJAGJJRJTSF-RXNFCKPNSA-N 2 2 289.807 0.508 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+](C)C/C=C\Cl)C1 ZINC001480950796 891933233 /nfs/dbraw/zinc/93/32/33/891933233.db2.gz WDVHJAGJJRJTSF-RXNFCKPNSA-N 2 2 289.807 0.508 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+](C)C/C=C\Cl)C1 ZINC001480950796 891933245 /nfs/dbraw/zinc/93/32/45/891933245.db2.gz WDVHJAGJJRJTSF-RXNFCKPNSA-N 2 2 289.807 0.508 20 0 CCADLP Cc1ccncc1C[N@H+](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001480954301 891946606 /nfs/dbraw/zinc/94/66/06/891946606.db2.gz URCSSZSUFOOVGQ-UHFFFAOYSA-N 2 2 287.367 0.835 20 0 CCADLP Cc1ccncc1C[N@@H+](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001480954301 891946619 /nfs/dbraw/zinc/94/66/19/891946619.db2.gz URCSSZSUFOOVGQ-UHFFFAOYSA-N 2 2 287.367 0.835 20 0 CCADLP C[C@H](O)C[N@@H+]1CCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001481050369 892113555 /nfs/dbraw/zinc/11/35/55/892113555.db2.gz ODJMDDLLNXWUGU-STQMWFEESA-N 2 2 280.372 0.235 20 0 CCADLP C[C@H](O)C[N@H+]1CCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001481050369 892113559 /nfs/dbraw/zinc/11/35/59/892113559.db2.gz ODJMDDLLNXWUGU-STQMWFEESA-N 2 2 280.372 0.235 20 0 CCADLP CSc1nccc(CN2CC[NH2+]C3(CC[NH2+]CC3)C2)n1 ZINC001222095576 892494466 /nfs/dbraw/zinc/49/44/66/892494466.db2.gz VWTRAKQBUGIZEG-UHFFFAOYSA-N 2 2 293.440 0.726 20 0 CCADLP CN(CC[NH2+]CC[C@@H]1CCOC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001481284834 892520710 /nfs/dbraw/zinc/52/07/10/892520710.db2.gz IXAXJMQGUUJGPE-GFCCVEGCSA-N 2 2 280.372 0.427 20 0 CCADLP CO[C@H](C)C[NH2+]CCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001481285513 892522453 /nfs/dbraw/zinc/52/24/53/892522453.db2.gz HRNPZUPZXPFPJN-CHWSQXEVSA-N 2 2 282.388 0.917 20 0 CCADLP C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1C[NH3+] ZINC001341874925 892608452 /nfs/dbraw/zinc/60/84/52/892608452.db2.gz DONRAWFGFFTVAQ-RYUDHWBXSA-N 2 2 250.346 0.717 20 0 CCADLP CCN(C(=O)CCc1[nH+]ccn1C)[C@@H]1CC[N@H+](CCO)C1 ZINC001481771498 893134127 /nfs/dbraw/zinc/13/41/27/893134127.db2.gz NWHBTSFZYCJFBP-CYBMUJFWSA-N 2 2 294.399 0.268 20 0 CCADLP CCN(C(=O)CCc1[nH+]ccn1C)[C@@H]1CC[N@@H+](CCO)C1 ZINC001481771498 893134137 /nfs/dbraw/zinc/13/41/37/893134137.db2.gz NWHBTSFZYCJFBP-CYBMUJFWSA-N 2 2 294.399 0.268 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@@](C)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001481944809 893284072 /nfs/dbraw/zinc/28/40/72/893284072.db2.gz UWDHLQSZQHOQIQ-IAQYHMDHSA-N 2 2 294.399 0.862 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001482124791 893413005 /nfs/dbraw/zinc/41/30/05/893413005.db2.gz BSOPZWUNHMCXSI-NEPJUHHUSA-N 2 2 282.388 0.075 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC001362660918 893616698 /nfs/dbraw/zinc/61/66/98/893616698.db2.gz PWJHWCNYQOHZPD-MGPQQGTHSA-N 2 2 285.432 0.800 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC001362660918 893616708 /nfs/dbraw/zinc/61/67/08/893616708.db2.gz PWJHWCNYQOHZPD-MGPQQGTHSA-N 2 2 285.432 0.800 20 0 CCADLP CC(C)[C@H]1C[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CCO1 ZINC001363356382 893728739 /nfs/dbraw/zinc/72/87/39/893728739.db2.gz CNIGSPKLWYCZDY-ZIAGYGMSSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H](C[NH2+]C[C@H]1CCOC1)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001482291816 893788692 /nfs/dbraw/zinc/78/86/92/893788692.db2.gz IDTCALCIXLRNQI-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H](C[NH2+]C[C@H]1CCOC1)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001482291816 893788704 /nfs/dbraw/zinc/78/87/04/893788704.db2.gz IDTCALCIXLRNQI-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H](CC[NH2+]CCO)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001482832298 894638651 /nfs/dbraw/zinc/63/86/51/894638651.db2.gz FMLKFBDIXGGVLT-GFCCVEGCSA-N 2 2 294.399 0.239 20 0 CCADLP CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001482845525 894644613 /nfs/dbraw/zinc/64/46/13/894644613.db2.gz MNPVSXFWIYBZSS-VXGBXAGGSA-N 2 2 264.373 0.950 20 0 CCADLP C[C@H](CC[NH2+]C[C@@H]1CCOC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001482882965 894668836 /nfs/dbraw/zinc/66/88/36/894668836.db2.gz ASIVMQYISUQTDU-NEPJUHHUSA-N 2 2 280.372 0.473 20 0 CCADLP Cc1cc(C[NH2+]C[C@@H](C)NC(=O)Cn2c[nH+]cc2C)no1 ZINC001483149373 895029817 /nfs/dbraw/zinc/02/98/17/895029817.db2.gz GIQHSBHHPJGKCP-SNVBAGLBSA-N 2 2 291.355 0.782 20 0 CCADLP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1csnn1 ZINC001409443008 895185234 /nfs/dbraw/zinc/18/52/34/895185234.db2.gz CEUSNOOLSXPOMS-QWRGUYRKSA-N 2 2 297.428 0.617 20 0 CCADLP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@H+](C)CCCO ZINC001409594870 895269887 /nfs/dbraw/zinc/26/98/87/895269887.db2.gz QSVAWFBGWFFLNG-LLVKDONJSA-N 2 2 290.367 0.995 20 0 CCADLP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@@H+](C)CCCO ZINC001409594870 895269899 /nfs/dbraw/zinc/26/98/99/895269899.db2.gz QSVAWFBGWFFLNG-LLVKDONJSA-N 2 2 290.367 0.995 20 0 CCADLP C[C@@H](C[NH2+]CCF)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001483241981 895374103 /nfs/dbraw/zinc/37/41/03/895374103.db2.gz TWLZVCGKFDNQAL-QWRGUYRKSA-N 2 2 268.336 0.509 20 0 CCADLP C[C@@H](C[NH2+]C[C@H]1CCCOC1)NC(=O)CCn1cc[nH+]c1 ZINC001483253870 895385928 /nfs/dbraw/zinc/38/59/28/895385928.db2.gz TWVSQPOMMWXQCL-UONOGXRCSA-N 2 2 294.399 0.794 20 0 CCADLP C[C@H](CC(=O)N[C@@H](C)C[NH2+]CCCO)n1cc[nH+]c1 ZINC001483269446 895399741 /nfs/dbraw/zinc/39/97/41/895399741.db2.gz MICQEYGJNNYRRG-NWDGAFQWSA-N 2 2 268.361 0.311 20 0 CCADLP CO[C@H](C)C[N@H+](C)C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001483347642 895486108 /nfs/dbraw/zinc/48/61/08/895486108.db2.gz XPHLIFXCEAKQOM-NWDGAFQWSA-N 2 2 282.388 0.814 20 0 CCADLP CO[C@H](C)C[N@@H+](C)C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001483347642 895486113 /nfs/dbraw/zinc/48/61/13/895486113.db2.gz XPHLIFXCEAKQOM-NWDGAFQWSA-N 2 2 282.388 0.814 20 0 CCADLP CO[C@H](C)C[N@H+](C)C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001483347642 895486117 /nfs/dbraw/zinc/48/61/17/895486117.db2.gz XPHLIFXCEAKQOM-NWDGAFQWSA-N 2 2 282.388 0.814 20 0 CCADLP CO[C@H](C)C[N@@H+](C)C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001483347642 895486123 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YYQXLMTZMJWVNP-OAHLLOKOSA-N 2 2 295.427 0.555 20 0 CCADLP CC[NH+]1CC(CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001031876719 897110185 /nfs/dbraw/zinc/11/01/85/897110185.db2.gz YYQXLMTZMJWVNP-OAHLLOKOSA-N 2 2 295.427 0.555 20 0 CCADLP COCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001032656775 897901603 /nfs/dbraw/zinc/90/16/03/897901603.db2.gz LUAVWQHIOAPKFN-IHRRRGAJSA-N 2 2 292.383 0.766 20 0 CCADLP COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001032656775 897901610 /nfs/dbraw/zinc/90/16/10/897901610.db2.gz LUAVWQHIOAPKFN-IHRRRGAJSA-N 2 2 292.383 0.766 20 0 CCADLP CN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C1C[NH+](CCCO)C1 ZINC001043070131 897959881 /nfs/dbraw/zinc/95/98/81/897959881.db2.gz KPERNFODFZQINB-ZFWWWQNUSA-N 2 2 295.427 0.528 20 0 CCADLP CN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C1C[NH+](CCCO)C1 ZINC001043070131 897959897 /nfs/dbraw/zinc/95/98/97/897959897.db2.gz KPERNFODFZQINB-ZFWWWQNUSA-N 2 2 295.427 0.528 20 0 CCADLP 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Cn1c[nH+]c(CCNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC001413680797 903176284 /nfs/dbraw/zinc/17/62/84/903176284.db2.gz HLBSUCQRUAVQTK-ZIAGYGMSSA-N 2 2 291.399 0.889 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC001413680797 903176286 /nfs/dbraw/zinc/17/62/86/903176286.db2.gz HLBSUCQRUAVQTK-ZIAGYGMSSA-N 2 2 291.399 0.889 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001398552143 914696325 /nfs/dbraw/zinc/69/63/25/914696325.db2.gz BHXQLQWPNAWVCJ-CYDGBPFRSA-N 2 2 294.399 0.860 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001398552143 914696334 /nfs/dbraw/zinc/69/63/34/914696334.db2.gz BHXQLQWPNAWVCJ-CYDGBPFRSA-N 2 2 294.399 0.860 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCCC[N@H+]1CCCO ZINC001491237688 903458960 /nfs/dbraw/zinc/45/89/60/903458960.db2.gz PWALMCFBGLKELK-ZDUSSCGKSA-N 2 2 280.372 0.236 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCCC[N@@H+]1CCCO ZINC001491237688 903458965 /nfs/dbraw/zinc/45/89/65/903458965.db2.gz PWALMCFBGLKELK-ZDUSSCGKSA-N 2 2 280.372 0.236 20 0 CCADLP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCCO ZINC001491504262 903627275 /nfs/dbraw/zinc/62/72/75/903627275.db2.gz JPZFKRQEOIBUML-JTQLQIEISA-N 2 2 276.340 0.653 20 0 CCADLP C[C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)[NH2+]CCF ZINC001491507337 903628467 /nfs/dbraw/zinc/62/84/67/903628467.db2.gz SONHFZIRYNLPJM-VIFPVBQESA-N 2 2 272.324 0.414 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001210666891 903826911 /nfs/dbraw/zinc/82/69/11/903826911.db2.gz AQZVURRMBYQMDH-CHWSQXEVSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001398666992 914773456 /nfs/dbraw/zinc/77/34/56/914773456.db2.gz QDBHOYBWWDUXRG-UPJWGTAASA-N 2 2 280.372 0.281 20 0 CCADLP COCC[NH2+][C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001327867227 914821112 /nfs/dbraw/zinc/82/11/12/914821112.db2.gz IAAPTWFQWDJBOD-AAEUAGOBSA-N 2 2 280.372 0.425 20 0 CCADLP COCC[NH2+][C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001327867227 914821133 /nfs/dbraw/zinc/82/11/33/914821133.db2.gz IAAPTWFQWDJBOD-AAEUAGOBSA-N 2 2 280.372 0.425 20 0 CCADLP C[N@H+](CCC[C@H]1CCOC1)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001377235067 904707370 /nfs/dbraw/zinc/70/73/70/904707370.db2.gz BOJSXUSLHGYWSP-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP C[N@@H+](CCC[C@H]1CCOC1)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001377235067 904707378 /nfs/dbraw/zinc/70/73/78/904707378.db2.gz BOJSXUSLHGYWSP-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP C[C@@H]1C[C@@H](C[N@H+](C)CCNC(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001377236778 904713333 /nfs/dbraw/zinc/71/33/33/904713333.db2.gz LLLIAZBQLNTZSF-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H]1C[C@@H](C[N@@H+](C)CCNC(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001377236778 904713351 /nfs/dbraw/zinc/71/33/51/904713351.db2.gz LLLIAZBQLNTZSF-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H](CCC[NH2+]CCO)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001283202369 904755817 /nfs/dbraw/zinc/75/58/17/904755817.db2.gz HQFLDUFAWBPVCR-STQMWFEESA-N 2 2 294.399 0.312 20 0 CCADLP COCC[NH2+][C@H](C)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001283678666 904957521 /nfs/dbraw/zinc/95/75/21/904957521.db2.gz RFLCMHXZBZAWEA-CHWSQXEVSA-N 2 2 282.388 0.917 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001283677753 904957998 /nfs/dbraw/zinc/95/79/98/904957998.db2.gz CYIBDNRFQTTWKU-WDEREUQCSA-N 2 2 268.361 0.424 20 0 CCADLP COCC[NH2+][C@@H](C)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001283678668 904958289 /nfs/dbraw/zinc/95/82/89/904958289.db2.gz RFLCMHXZBZAWEA-QWHCGFSZSA-N 2 2 282.388 0.917 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[N@H+](C)CCCO ZINC001378065205 905396121 /nfs/dbraw/zinc/39/61/21/905396121.db2.gz AUPFOFHBNHPMLO-QJPTWQEYSA-N 2 2 280.372 0.332 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[N@@H+](C)CCCO ZINC001378065205 905396137 /nfs/dbraw/zinc/39/61/37/905396137.db2.gz AUPFOFHBNHPMLO-QJPTWQEYSA-N 2 2 280.372 0.332 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[N@H+](C)CCCO ZINC001378065205 905396150 /nfs/dbraw/zinc/39/61/50/905396150.db2.gz AUPFOFHBNHPMLO-QJPTWQEYSA-N 2 2 280.372 0.332 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[N@@H+](C)CCCO ZINC001378065205 905396165 /nfs/dbraw/zinc/39/61/65/905396165.db2.gz AUPFOFHBNHPMLO-QJPTWQEYSA-N 2 2 280.372 0.332 20 0 CCADLP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[N@H+](C)CC(N)=O ZINC001378161141 905463875 /nfs/dbraw/zinc/46/38/75/905463875.db2.gz ZBXUNGXAZLRHIP-CHWSQXEVSA-N 2 2 298.431 0.173 20 0 CCADLP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[N@@H+](C)CC(N)=O ZINC001378161141 905463881 /nfs/dbraw/zinc/46/38/81/905463881.db2.gz ZBXUNGXAZLRHIP-CHWSQXEVSA-N 2 2 298.431 0.173 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)NC1(CCO)C[NH+](C(C)C)C1 ZINC001378305184 905577317 /nfs/dbraw/zinc/57/73/17/905577317.db2.gz KRZLAPZCUAPIIT-AWEZNQCLSA-N 2 2 297.443 0.822 20 0 CCADLP C[C@@H](C[NH2+]Cc1csnn1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001378856545 905859792 /nfs/dbraw/zinc/85/97/92/905859792.db2.gz VRIYMNKFQBULLQ-QWRGUYRKSA-N 2 2 297.428 0.426 20 0 CCADLP C[C@@H](C[NH2+]Cc1csnn1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001378856545 905859805 /nfs/dbraw/zinc/85/98/05/905859805.db2.gz VRIYMNKFQBULLQ-QWRGUYRKSA-N 2 2 297.428 0.426 20 0 CCADLP Cc1cc(C[N@@H+](C)CCN(C)C(=O)[C@@H]2CCC[NH+]2C)on1 ZINC001379039068 905948156 /nfs/dbraw/zinc/94/81/56/905948156.db2.gz ZZVOXBMBWKXVFT-AWEZNQCLSA-N 2 2 294.399 0.967 20 0 CCADLP Cc1cc(C[N@H+](C)CCN(C)C(=O)[C@@H]2CCC[NH+]2C)on1 ZINC001379039068 905948168 /nfs/dbraw/zinc/94/81/68/905948168.db2.gz ZZVOXBMBWKXVFT-AWEZNQCLSA-N 2 2 294.399 0.967 20 0 CCADLP Cc1cc(C[NH+](C)CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)on1 ZINC001379039068 905948173 /nfs/dbraw/zinc/94/81/73/905948173.db2.gz ZZVOXBMBWKXVFT-AWEZNQCLSA-N 2 2 294.399 0.967 20 0 CCADLP Cc1cc(C[NH+](C)CCN(C)C(=O)[C@@H]2CCC[N@H+]2C)on1 ZINC001379039068 905948184 /nfs/dbraw/zinc/94/81/84/905948184.db2.gz ZZVOXBMBWKXVFT-AWEZNQCLSA-N 2 2 294.399 0.967 20 0 CCADLP C[C@@H](O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001379084180 905982422 /nfs/dbraw/zinc/98/24/22/905982422.db2.gz RAFHLLKBIWKKNA-CHWSQXEVSA-N 2 2 294.399 0.217 20 0 CCADLP C[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001379084180 905982445 /nfs/dbraw/zinc/98/24/45/905982445.db2.gz RAFHLLKBIWKKNA-CHWSQXEVSA-N 2 2 294.399 0.217 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001333631059 906067826 /nfs/dbraw/zinc/06/78/26/906067826.db2.gz NBWSFVLHNZCEPD-JTQLQIEISA-N 2 2 252.362 0.898 20 0 CCADLP C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]CC[C@@H]1CCOC1 ZINC001379266523 906101943 /nfs/dbraw/zinc/10/19/43/906101943.db2.gz FNVINGXDDMFSNI-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H](C[NH2+]Cc1ccccn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001379344917 906164826 /nfs/dbraw/zinc/16/48/26/906164826.db2.gz LORRBGAKRINJFY-OCCSQVGLSA-N 2 2 292.383 0.007 20 0 CCADLP C[C@H](C[NH2+]Cc1ccccn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001379344917 906164830 /nfs/dbraw/zinc/16/48/30/906164830.db2.gz LORRBGAKRINJFY-OCCSQVGLSA-N 2 2 292.383 0.007 20 0 CCADLP CC(C)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001379439854 906244071 /nfs/dbraw/zinc/24/40/71/906244071.db2.gz VQDCFRDUJDQWNF-QWHCGFSZSA-N 2 2 294.399 0.168 20 0 CCADLP CC(C)CC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001380581633 906836113 /nfs/dbraw/zinc/83/61/13/906836113.db2.gz OMHCJHRCXJLQTQ-CYBMUJFWSA-N 2 2 283.416 0.290 20 0 CCADLP CC(C)CC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001380581633 906836125 /nfs/dbraw/zinc/83/61/25/906836125.db2.gz OMHCJHRCXJLQTQ-CYBMUJFWSA-N 2 2 283.416 0.290 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@H](CC[NH3+])C1 ZINC001335570013 906925358 /nfs/dbraw/zinc/92/53/58/906925358.db2.gz FTBMDJOZUQQLJX-JTQLQIEISA-N 2 2 251.334 0.300 20 0 CCADLP C[C@@H](CC(=O)N[C@@H]1CCC[N@H+](CCO)CC1)n1cc[nH+]c1 ZINC001380937203 906996950 /nfs/dbraw/zinc/99/69/50/906996950.db2.gz YVJHVFRUMAEAMZ-UONOGXRCSA-N 2 2 294.399 0.797 20 0 CCADLP C[C@@H](CC(=O)N[C@@H]1CCC[N@@H+](CCO)CC1)n1cc[nH+]c1 ZINC001380937203 906996960 /nfs/dbraw/zinc/99/69/60/906996960.db2.gz YVJHVFRUMAEAMZ-UONOGXRCSA-N 2 2 294.399 0.797 20 0 CCADLP CC1CC(C[NH+]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1 ZINC001381082888 907067475 /nfs/dbraw/zinc/06/74/75/907067475.db2.gz XCLMAJNLYIKFHZ-NRXISQOPSA-N 2 2 295.427 0.507 20 0 CCADLP CC1CC(C[NH+]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC001381082888 907067493 /nfs/dbraw/zinc/06/74/93/907067493.db2.gz XCLMAJNLYIKFHZ-NRXISQOPSA-N 2 2 295.427 0.507 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001381677718 907365064 /nfs/dbraw/zinc/36/50/64/907365064.db2.gz KCIIHYGFHLXTAZ-UHFFFAOYSA-N 2 2 285.432 0.537 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001381677718 907365085 /nfs/dbraw/zinc/36/50/85/907365085.db2.gz KCIIHYGFHLXTAZ-UHFFFAOYSA-N 2 2 285.432 0.537 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001381690929 907369279 /nfs/dbraw/zinc/36/92/79/907369279.db2.gz YZZKMGPTEPOSAS-GFCCVEGCSA-N 2 2 271.405 0.146 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001381964883 907475358 /nfs/dbraw/zinc/47/53/58/907475358.db2.gz AZRNNDYNNWSGNR-JHJVBQTASA-N 2 2 294.399 0.218 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1ccns1 ZINC001491642611 907477847 /nfs/dbraw/zinc/47/78/47/907477847.db2.gz ZBLNCXHFODJOOZ-SNVBAGLBSA-N 2 2 293.396 0.714 20 0 CCADLP COC[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001382150932 907575950 /nfs/dbraw/zinc/57/59/50/907575950.db2.gz NPTWVLOQWCEDKY-STQMWFEESA-N 2 2 296.415 0.824 20 0 CCADLP CC[C@H](C[NH2+][C@H](C)CN(C)C(=O)Cn1cc[nH+]c1)OC ZINC001382166556 907582405 /nfs/dbraw/zinc/58/24/05/907582405.db2.gz WOYLCTJYEWLKRZ-CHWSQXEVSA-N 2 2 282.388 0.745 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@H](C[NH2+]CCF)C1 ZINC001491810039 907612193 /nfs/dbraw/zinc/61/21/93/907612193.db2.gz FFVMBKHPHCOENF-IJLUTSLNSA-N 2 2 280.347 0.921 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@H](C[NH2+]CCF)C1 ZINC001491810039 907612199 /nfs/dbraw/zinc/61/21/99/907612199.db2.gz FFVMBKHPHCOENF-IJLUTSLNSA-N 2 2 280.347 0.921 20 0 CCADLP C[N@H+](CCCO)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001491956394 907654021 /nfs/dbraw/zinc/65/40/21/907654021.db2.gz NDSOPEZYAXSJKE-GFCCVEGCSA-N 2 2 280.372 0.257 20 0 CCADLP C[N@@H+](CCCO)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001491956394 907654040 /nfs/dbraw/zinc/65/40/40/907654040.db2.gz NDSOPEZYAXSJKE-GFCCVEGCSA-N 2 2 280.372 0.257 20 0 CCADLP CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001382466609 907757947 /nfs/dbraw/zinc/75/79/47/907757947.db2.gz CGICUYMAHYFLDD-WCQYABFASA-N 2 2 282.388 0.359 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001382466609 907757956 /nfs/dbraw/zinc/75/79/56/907757956.db2.gz CGICUYMAHYFLDD-WCQYABFASA-N 2 2 282.388 0.359 20 0 CCADLP CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001382466609 907757963 /nfs/dbraw/zinc/75/79/63/907757963.db2.gz CGICUYMAHYFLDD-WCQYABFASA-N 2 2 282.388 0.359 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001382466609 907757971 /nfs/dbraw/zinc/75/79/71/907757971.db2.gz CGICUYMAHYFLDD-WCQYABFASA-N 2 2 282.388 0.359 20 0 CCADLP C[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)CC[C@H]1CCCO1 ZINC001492472873 907936027 /nfs/dbraw/zinc/93/60/27/907936027.db2.gz DSBMCVFUOUDDFZ-GFCCVEGCSA-N 2 2 280.372 0.569 20 0 CCADLP C[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)CC[C@H]1CCCO1 ZINC001492472873 907936040 /nfs/dbraw/zinc/93/60/40/907936040.db2.gz DSBMCVFUOUDDFZ-GFCCVEGCSA-N 2 2 280.372 0.569 20 0 CCADLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@@H](O)C2(O)CCCC2)C1 ZINC001336800284 907995936 /nfs/dbraw/zinc/99/59/36/907995936.db2.gz FBLPRWNNLUPNPT-CHWSQXEVSA-N 2 2 256.390 0.584 20 0 CCADLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@@H](O)C2(O)CCCC2)C1 ZINC001336800284 907995951 /nfs/dbraw/zinc/99/59/51/907995951.db2.gz FBLPRWNNLUPNPT-CHWSQXEVSA-N 2 2 256.390 0.584 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](c2nn[nH]n2)C1 ZINC001308035817 908368215 /nfs/dbraw/zinc/36/82/15/908368215.db2.gz SFAAKUVOPJPBKX-JTQLQIEISA-N 2 2 261.333 0.355 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](c2nn[nH]n2)C1 ZINC001308035817 908368232 /nfs/dbraw/zinc/36/82/32/908368232.db2.gz SFAAKUVOPJPBKX-JTQLQIEISA-N 2 2 261.333 0.355 20 0 CCADLP Cn1cc([C@H](CO)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC001308360802 908410921 /nfs/dbraw/zinc/41/09/21/908410921.db2.gz PNHGRFXSJBZCBV-MCIONIFRSA-N 2 2 264.373 0.670 20 0 CCADLP Cn1cc([C@H](CO)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC001308360802 908410934 /nfs/dbraw/zinc/41/09/34/908410934.db2.gz PNHGRFXSJBZCBV-MCIONIFRSA-N 2 2 264.373 0.670 20 0 CCADLP CC(C)(O)[C@H]([NH3+])C(=O)NCc1ccn2cc[nH+]c2c1 ZINC001340093047 908502455 /nfs/dbraw/zinc/50/24/55/908502455.db2.gz HHEMAQASLQLFDA-LLVKDONJSA-N 2 2 262.313 0.049 20 0 CCADLP C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ncccn1 ZINC001316864681 908554743 /nfs/dbraw/zinc/55/47/43/908554743.db2.gz AAOBVUXNIGXXJJ-ZDUSSCGKSA-N 2 2 291.399 0.366 20 0 CCADLP C[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ncccn1 ZINC001316864681 908554759 /nfs/dbraw/zinc/55/47/59/908554759.db2.gz AAOBVUXNIGXXJJ-ZDUSSCGKSA-N 2 2 291.399 0.366 20 0 CCADLP C[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ncccn1 ZINC001316864681 908554765 /nfs/dbraw/zinc/55/47/65/908554765.db2.gz AAOBVUXNIGXXJJ-ZDUSSCGKSA-N 2 2 291.399 0.366 20 0 CCADLP C[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ncccn1 ZINC001316864681 908554778 /nfs/dbraw/zinc/55/47/78/908554778.db2.gz AAOBVUXNIGXXJJ-ZDUSSCGKSA-N 2 2 291.399 0.366 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCOCCC[NH3+] ZINC001340845239 908555170 /nfs/dbraw/zinc/55/51/70/908555170.db2.gz RIVBBVPHMHWOKD-GHMZBOCLSA-N 2 2 266.345 0.005 20 0 CCADLP C[NH2+]C[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001328842704 908713579 /nfs/dbraw/zinc/71/35/79/908713579.db2.gz UVHLICFSQFNZMD-RYUDHWBXSA-N 2 2 250.346 0.902 20 0 CCADLP CC[N@H+](CCCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001316927977 908848604 /nfs/dbraw/zinc/84/86/04/908848604.db2.gz UWXZQGSJPXSTBG-UHFFFAOYSA-N 2 2 250.346 0.874 20 0 CCADLP CC[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001316927977 908848614 /nfs/dbraw/zinc/84/86/14/908848614.db2.gz UWXZQGSJPXSTBG-UHFFFAOYSA-N 2 2 250.346 0.874 20 0 CCADLP C[C@@H](O)CCC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001317129883 909000007 /nfs/dbraw/zinc/00/00/07/909000007.db2.gz XQAQIKWKNRALIO-UPJWGTAASA-N 2 2 280.372 0.281 20 0 CCADLP CC(C)OC[C@@H](O)C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC001338460130 921474379 /nfs/dbraw/zinc/47/43/79/921474379.db2.gz FQOIDOHMTPAYCT-OLZOCXBDSA-N 2 2 255.362 0.895 20 0 CCADLP COCCC[NH2+]CCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001317606984 909399170 /nfs/dbraw/zinc/39/91/70/909399170.db2.gz XZFUKYGQLSUUAI-CYBMUJFWSA-N 2 2 294.399 0.530 20 0 CCADLP CN(CC[NH2+]Cc1cnon1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001317628300 909421473 /nfs/dbraw/zinc/42/14/73/909421473.db2.gz ZXBMWHPWUWMRSB-UHFFFAOYSA-N 2 2 297.403 0.596 20 0 CCADLP CN(CC[NH2+]Cc1cnon1)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001317628300 909421486 /nfs/dbraw/zinc/42/14/86/909421486.db2.gz ZXBMWHPWUWMRSB-UHFFFAOYSA-N 2 2 297.403 0.596 20 0 CCADLP Cc1cc(C[NH2+]CCN(C)C(=O)Cc2c[nH+]c[nH]2)ncn1 ZINC001317634036 909430776 /nfs/dbraw/zinc/43/07/76/909430776.db2.gz MEUFRNDCDLUVGT-UHFFFAOYSA-N 2 2 288.355 0.299 20 0 CCADLP COCCC[NH+]1CC(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001318168990 909649406 /nfs/dbraw/zinc/64/94/06/909649406.db2.gz MAOPYXGJRGXHID-UHFFFAOYSA-N 2 2 280.372 0.047 20 0 CCADLP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)CS(C)(=O)=O)C1 ZINC001319799559 910298485 /nfs/dbraw/zinc/29/84/85/910298485.db2.gz XOECIWJTYSZZAL-RYUDHWBXSA-N 2 2 262.419 0.741 20 0 CCADLP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CS(C)(=O)=O)C1 ZINC001319799559 910298502 /nfs/dbraw/zinc/29/85/02/910298502.db2.gz XOECIWJTYSZZAL-RYUDHWBXSA-N 2 2 262.419 0.741 20 0 CCADLP NC(=O)C[C@@H]([NH2+]CCn1cc[nH+]c1)C1CCOCC1 ZINC001320087582 910458328 /nfs/dbraw/zinc/45/83/28/910458328.db2.gz BXECOZLUZJXBLB-GFCCVEGCSA-N 2 2 266.345 0.143 20 0 CCADLP CO[C@H](C)C[N@H+](C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001390781448 910673129 /nfs/dbraw/zinc/67/31/29/910673129.db2.gz GCTIDGMOFCPISH-CHWSQXEVSA-N 2 2 294.399 0.528 20 0 CCADLP CO[C@H](C)C[N@@H+](C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001390781448 910673139 /nfs/dbraw/zinc/67/31/39/910673139.db2.gz GCTIDGMOFCPISH-CHWSQXEVSA-N 2 2 294.399 0.528 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)CC[NH2+]Cc1cnon1 ZINC001320492925 910700124 /nfs/dbraw/zinc/70/01/24/910700124.db2.gz WDXWVXOATBGHPA-JTQLQIEISA-N 2 2 292.343 0.259 20 0 CCADLP CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001391399637 911097603 /nfs/dbraw/zinc/09/76/03/911097603.db2.gz QYOGYEJRBIQGPS-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001391399637 911097618 /nfs/dbraw/zinc/09/76/18/911097618.db2.gz QYOGYEJRBIQGPS-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CCNC(=O)C[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001391399637 911097633 /nfs/dbraw/zinc/09/76/33/911097633.db2.gz QYOGYEJRBIQGPS-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CCNC(=O)C[NH+]1CCC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001391399637 911097655 /nfs/dbraw/zinc/09/76/55/911097655.db2.gz QYOGYEJRBIQGPS-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CC(C)[C@@H](C(=O)NC1C[NH+](CCC[C@@H](C)O)C1)[NH+](C)C ZINC001391422721 911121700 /nfs/dbraw/zinc/12/17/00/911121700.db2.gz WVFDEANLRVEWSQ-OCCSQVGLSA-N 2 2 285.432 0.534 20 0 CCADLP C[C@@H](O)CCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001391563839 911228512 /nfs/dbraw/zinc/22/85/12/911228512.db2.gz XYHNCAZWLRUFRW-OLZOCXBDSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@@H](O)CCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001391563839 911228530 /nfs/dbraw/zinc/22/85/30/911228530.db2.gz XYHNCAZWLRUFRW-OLZOCXBDSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@H](C[NH2+]CC[C@H]1CCOC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001321533199 911354755 /nfs/dbraw/zinc/35/47/55/911354755.db2.gz RLJHYPTWXISCCU-OLZOCXBDSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@H](C[NH2+]CC[C@H]1CCOC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001321533199 911354774 /nfs/dbraw/zinc/35/47/74/911354774.db2.gz RLJHYPTWXISCCU-OLZOCXBDSA-N 2 2 294.399 0.863 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H](C)C[NH2+]C[C@H]1CCOC1 ZINC001392128623 911593762 /nfs/dbraw/zinc/59/37/62/911593762.db2.gz VCZNXGBMAKVZGL-DGCLKSJQSA-N 2 2 294.399 0.734 20 0 CCADLP C[C@@H]([NH2+]CCO)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001392182068 911619171 /nfs/dbraw/zinc/61/91/71/911619171.db2.gz AEJPAEJIUKLTGA-NEPJUHHUSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@@H](O)C[NH2+]CCCN(C)C(=O)CCn1cc[nH+]c1 ZINC001322636587 911893388 /nfs/dbraw/zinc/89/33/88/911893388.db2.gz LMQZRUZCKACXBI-GFCCVEGCSA-N 2 2 268.361 0.092 20 0 CCADLP C[C@@H](C[N@H+](C)CCCO)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001392667640 912061525 /nfs/dbraw/zinc/06/15/25/912061525.db2.gz BENWBYJUXRWVGO-STQMWFEESA-N 2 2 294.399 0.264 20 0 CCADLP C[C@@H](C[N@@H+](C)CCCO)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001392667640 912061543 /nfs/dbraw/zinc/06/15/43/912061543.db2.gz BENWBYJUXRWVGO-STQMWFEESA-N 2 2 294.399 0.264 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001399026616 915000758 /nfs/dbraw/zinc/00/07/58/915000758.db2.gz NSTRTDWJFFEVQB-RYUDHWBXSA-N 2 2 282.388 0.482 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001399237267 915087818 /nfs/dbraw/zinc/08/78/18/915087818.db2.gz UYYDGNAOQSOLBC-RYUDHWBXSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001399237267 915087842 /nfs/dbraw/zinc/08/78/42/915087842.db2.gz UYYDGNAOQSOLBC-RYUDHWBXSA-N 2 2 280.372 0.161 20 0 CCADLP CC[N@H+](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)C[C@@H](C)O ZINC001399738935 915353679 /nfs/dbraw/zinc/35/36/79/915353679.db2.gz RUGNWCIGZIVURW-OLZOCXBDSA-N 2 2 294.399 0.264 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)C[C@@H](C)O ZINC001399738935 915353696 /nfs/dbraw/zinc/35/36/96/915353696.db2.gz RUGNWCIGZIVURW-OLZOCXBDSA-N 2 2 294.399 0.264 20 0 CCADLP CC[N@H+](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C[C@H](C)O ZINC001399738938 915358672 /nfs/dbraw/zinc/35/86/72/915358672.db2.gz RUGNWCIGZIVURW-QWHCGFSZSA-N 2 2 294.399 0.264 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C[C@H](C)O ZINC001399738938 915358690 /nfs/dbraw/zinc/35/86/90/915358690.db2.gz RUGNWCIGZIVURW-QWHCGFSZSA-N 2 2 294.399 0.264 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001328720885 915379404 /nfs/dbraw/zinc/37/94/04/915379404.db2.gz HINAGLAZMZQFDL-SDDRHHMPSA-N 2 2 262.357 0.641 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[C@H]1CC[N@H+](CCO)C1 ZINC001400179683 915607900 /nfs/dbraw/zinc/60/79/00/915607900.db2.gz AGHAMGORGGPDSH-ZDUSSCGKSA-N 2 2 294.399 0.173 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[C@H]1CC[N@@H+](CCO)C1 ZINC001400179683 915607915 /nfs/dbraw/zinc/60/79/15/915607915.db2.gz AGHAMGORGGPDSH-ZDUSSCGKSA-N 2 2 294.399 0.173 20 0 CCADLP CC[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CCF ZINC001400818836 915943667 /nfs/dbraw/zinc/94/36/67/915943667.db2.gz JXDQAYBEERFEMW-NWDGAFQWSA-N 2 2 282.363 0.899 20 0 CCADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cnn(C)c1 ZINC001400928016 915989932 /nfs/dbraw/zinc/98/99/32/915989932.db2.gz RQACLBNNWSWWIP-ZDUSSCGKSA-N 2 2 290.371 0.301 20 0 CCADLP CC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001401231513 916131528 /nfs/dbraw/zinc/13/15/28/916131528.db2.gz WMTVTDANDLAIEC-CMPLNLGQSA-N 2 2 295.387 0.043 20 0 CCADLP CC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC001401231513 916131541 /nfs/dbraw/zinc/13/15/41/916131541.db2.gz WMTVTDANDLAIEC-CMPLNLGQSA-N 2 2 295.387 0.043 20 0 CCADLP CCc1nnc(C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C)o1 ZINC001401244513 916141781 /nfs/dbraw/zinc/14/17/81/916141781.db2.gz XUKFFASWIUVCGJ-LLVKDONJSA-N 2 2 297.403 0.520 20 0 CCADLP COCC[N@H+](C)CCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001401367818 916206928 /nfs/dbraw/zinc/20/69/28/916206928.db2.gz AVQCMECUKIVDDR-ZDUSSCGKSA-N 2 2 294.399 0.482 20 0 CCADLP COCC[N@@H+](C)CCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001401367818 916206944 /nfs/dbraw/zinc/20/69/44/916206944.db2.gz AVQCMECUKIVDDR-ZDUSSCGKSA-N 2 2 294.399 0.482 20 0 CCADLP CC(C)C[C@H](C(=O)NC[C@@H](O)C[NH2+]C(C)C)n1cc[nH+]c1 ZINC001401535299 916308633 /nfs/dbraw/zinc/30/86/33/916308633.db2.gz DYUSQQRQOSTSHM-UONOGXRCSA-N 2 2 296.415 0.945 20 0 CCADLP CC[C@@H](C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH+]cn1C)OC ZINC001401650815 916429131 /nfs/dbraw/zinc/42/91/31/916429131.db2.gz GZVLOWJOEISMRW-YPMHNXCESA-N 2 2 282.388 0.482 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)C[NH+]2CCCC2)[nH]1 ZINC001401672894 916455111 /nfs/dbraw/zinc/45/51/11/916455111.db2.gz XTPMHMYOOUPLDB-GHMZBOCLSA-N 2 2 294.403 0.364 20 0 CCADLP CC[NH2+]C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001401855230 916632277 /nfs/dbraw/zinc/63/22/77/916632277.db2.gz LBOLDTBOQHDCDJ-OCCSQVGLSA-N 2 2 276.384 0.950 20 0 CCADLP C[C@H]([NH2+]CCO)[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001402044945 916769205 /nfs/dbraw/zinc/76/92/05/916769205.db2.gz OLDRTVDENDYMGD-GXTWGEPZSA-N 2 2 294.399 0.314 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCCN(C(N)=O)CC1 ZINC001330657428 916772595 /nfs/dbraw/zinc/77/25/95/916772595.db2.gz MXGNIJQEIANQQB-UHFFFAOYSA-N 2 2 251.334 0.049 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCCN(C(N)=O)CC1 ZINC001330657428 916772603 /nfs/dbraw/zinc/77/26/03/916772603.db2.gz MXGNIJQEIANQQB-UHFFFAOYSA-N 2 2 251.334 0.049 20 0 CCADLP CCOCC[NH2+]C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001330707615 916804549 /nfs/dbraw/zinc/80/45/49/916804549.db2.gz GKLPWJFCFJTJQC-JOCQHMNTSA-N 2 2 280.372 0.404 20 0 CCADLP CC(C)[N@@H+]1CCC[C@](CO)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001402452771 917026995 /nfs/dbraw/zinc/02/69/95/917026995.db2.gz DXUPJXVTNNTLHM-HNNXBMFYSA-N 2 2 294.399 0.314 20 0 CCADLP CC(C)[N@H+]1CCC[C@](CO)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001402452771 917027010 /nfs/dbraw/zinc/02/70/10/917027010.db2.gz DXUPJXVTNNTLHM-HNNXBMFYSA-N 2 2 294.399 0.314 20 0 CCADLP CN(C)C(=O)OCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC001331143035 917119437 /nfs/dbraw/zinc/11/94/37/917119437.db2.gz CUOQGULKINEMBD-RYUDHWBXSA-N 2 2 255.362 0.711 20 0 CCADLP CN(C)C(=O)OCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC001331143035 917119442 /nfs/dbraw/zinc/11/94/42/917119442.db2.gz CUOQGULKINEMBD-RYUDHWBXSA-N 2 2 255.362 0.711 20 0 CCADLP CN(C)C(=O)OCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001331143035 917119448 /nfs/dbraw/zinc/11/94/48/917119448.db2.gz CUOQGULKINEMBD-RYUDHWBXSA-N 2 2 255.362 0.711 20 0 CCADLP CN(C)C(=O)OCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC001331143035 917119452 /nfs/dbraw/zinc/11/94/52/917119452.db2.gz CUOQGULKINEMBD-RYUDHWBXSA-N 2 2 255.362 0.711 20 0 CCADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)CO2 ZINC001402678725 917167749 /nfs/dbraw/zinc/16/77/49/917167749.db2.gz DAKXPLPOGRSXQP-KGLIPLIRSA-N 2 2 295.427 0.840 20 0 CCADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)CO2 ZINC001402678725 917167763 /nfs/dbraw/zinc/16/77/63/917167763.db2.gz DAKXPLPOGRSXQP-KGLIPLIRSA-N 2 2 295.427 0.840 20 0 CCADLP CCc1noc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001403009642 917418491 /nfs/dbraw/zinc/41/84/91/917418491.db2.gz SLIQZDNTMOXTCN-GHMZBOCLSA-N 2 2 295.387 0.321 20 0 CCADLP CCc1noc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001403009642 917418501 /nfs/dbraw/zinc/41/85/01/917418501.db2.gz SLIQZDNTMOXTCN-GHMZBOCLSA-N 2 2 295.387 0.321 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001331563731 917421246 /nfs/dbraw/zinc/42/12/46/917421246.db2.gz HFVBPUQHBYTMQU-WDEREUQCSA-N 2 2 268.361 0.424 20 0 CCADLP Cc1cc(C[NH2+][C@@H](C)[C@H](C)NC(=O)Cn2cc[nH+]c2)on1 ZINC001403019995 917427924 /nfs/dbraw/zinc/42/79/24/917427924.db2.gz BKQQYOMBVOXVJL-RYUDHWBXSA-N 2 2 291.355 0.863 20 0 CCADLP Cc1noc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]2CCCC2)n1 ZINC001403029394 917431094 /nfs/dbraw/zinc/43/10/94/917431094.db2.gz GMIQAITYFXEZMF-GHMZBOCLSA-N 2 2 295.387 0.457 20 0 CCADLP C[C@@H]([NH2+]Cc1ccn(C)n1)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001403032339 917434927 /nfs/dbraw/zinc/43/49/27/917434927.db2.gz GXLVUTDANQFHBI-NEPJUHHUSA-N 2 2 290.371 0.300 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NC[C@@H](C)[N@H+](C)C[C@@H](C)O ZINC001403133346 917516428 /nfs/dbraw/zinc/51/64/28/917516428.db2.gz DMKBYJUQTQXRRX-VXGBXAGGSA-N 2 2 295.383 0.450 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NC[C@@H](C)[N@@H+](C)C[C@@H](C)O ZINC001403133346 917516437 /nfs/dbraw/zinc/51/64/37/917516437.db2.gz DMKBYJUQTQXRRX-VXGBXAGGSA-N 2 2 295.383 0.450 20 0 CCADLP O=C(NC[C@@H](CO)[NH2+]CCCF)c1cc2c[nH+]ccc2[nH]1 ZINC001331739019 917561104 /nfs/dbraw/zinc/56/11/04/917561104.db2.gz JKCSSXMBHIJAKY-NSHDSACASA-N 2 2 294.330 0.603 20 0 CCADLP C[C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)[N@H+](C)CCF ZINC001403201635 917576208 /nfs/dbraw/zinc/57/62/08/917576208.db2.gz LYZJCDMFGTVDDX-QWHCGFSZSA-N 2 2 289.395 0.361 20 0 CCADLP C[C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)[N@@H+](C)CCF ZINC001403201635 917576214 /nfs/dbraw/zinc/57/62/14/917576214.db2.gz LYZJCDMFGTVDDX-QWHCGFSZSA-N 2 2 289.395 0.361 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001403250910 917612873 /nfs/dbraw/zinc/61/28/73/917612873.db2.gz YBLMLYPIRVISLG-KGLIPLIRSA-N 2 2 295.427 0.576 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001403250910 917612881 /nfs/dbraw/zinc/61/28/81/917612881.db2.gz YBLMLYPIRVISLG-KGLIPLIRSA-N 2 2 295.427 0.576 20 0 CCADLP COCCCC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001332033751 917813264 /nfs/dbraw/zinc/81/32/64/917813264.db2.gz WGVQCCREDUCZAS-STQMWFEESA-N 2 2 294.399 0.958 20 0 CCADLP COCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001332033546 917813308 /nfs/dbraw/zinc/81/33/08/917813308.db2.gz VDRRSIIDWILNGG-NEPJUHHUSA-N 2 2 280.372 0.568 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001332117688 917871403 /nfs/dbraw/zinc/87/14/03/917871403.db2.gz DCWVZMGTVWGHCC-LLVKDONJSA-N 2 2 266.345 0.480 20 0 CCADLP O=C(NC12CC[NH+](CC1)C2)[C@H]1CCn2cc[nH+]c2C1 ZINC001332261170 918000166 /nfs/dbraw/zinc/00/01/66/918000166.db2.gz FACATHKXSSPNTG-NSHDSACASA-N 2 2 260.341 0.410 20 0 CCADLP CC(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001403864894 918072914 /nfs/dbraw/zinc/07/29/14/918072914.db2.gz FWCCOZDBMNTZFN-JSGCOSHPSA-N 2 2 296.415 0.653 20 0 CCADLP CC(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001403864894 918072927 /nfs/dbraw/zinc/07/29/27/918072927.db2.gz FWCCOZDBMNTZFN-JSGCOSHPSA-N 2 2 296.415 0.653 20 0 CCADLP CC[C@@H](C(=O)NCC[N@H+](CC)Cc1ccn(C)n1)[NH+](C)C ZINC001403913520 918112514 /nfs/dbraw/zinc/11/25/14/918112514.db2.gz XXPPJHWEGVYLDK-AWEZNQCLSA-N 2 2 295.431 0.698 20 0 CCADLP CC[C@@H](C(=O)NCC[N@@H+](CC)Cc1ccn(C)n1)[NH+](C)C ZINC001403913520 918112520 /nfs/dbraw/zinc/11/25/20/918112520.db2.gz XXPPJHWEGVYLDK-AWEZNQCLSA-N 2 2 295.431 0.698 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC1(C2CC[NH+](CCO)CC2)CC1 ZINC001404018691 918172507 /nfs/dbraw/zinc/17/25/07/918172507.db2.gz OPYURBUFBMRIFT-UHFFFAOYSA-N 2 2 292.383 0.305 20 0 CCADLP CC[C@@H](C[NH+]1CC(CNC(=O)CCn2cc[nH+]c2)C1)OC ZINC001404907644 918513341 /nfs/dbraw/zinc/51/33/41/918513341.db2.gz ZRIUKUIJYBBWRF-AWEZNQCLSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@H]([NH2+]CCO)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001406000930 918991318 /nfs/dbraw/zinc/99/13/18/918991318.db2.gz QMSKCLHIMKSRNJ-STQMWFEESA-N 2 2 280.372 0.092 20 0 CCADLP O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001333557734 918997856 /nfs/dbraw/zinc/99/78/56/918997856.db2.gz HKUVGYWPRLEBDE-NEPJUHHUSA-N 2 2 289.339 0.109 20 0 CCADLP O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1[C@@H]1CC[N@H+](C2CC2)C1 ZINC001333557734 918997863 /nfs/dbraw/zinc/99/78/63/918997863.db2.gz HKUVGYWPRLEBDE-NEPJUHHUSA-N 2 2 289.339 0.109 20 0 CCADLP O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001333557734 918997869 /nfs/dbraw/zinc/99/78/69/918997869.db2.gz HKUVGYWPRLEBDE-NEPJUHHUSA-N 2 2 289.339 0.109 20 0 CCADLP O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1[C@@H]1CC[N@H+](C2CC2)C1 ZINC001333557734 918997881 /nfs/dbraw/zinc/99/78/81/918997881.db2.gz HKUVGYWPRLEBDE-NEPJUHHUSA-N 2 2 289.339 0.109 20 0 CCADLP CC(C)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001406250759 919137099 /nfs/dbraw/zinc/13/70/99/919137099.db2.gz UROTVYWIYQLBIJ-QJPTWQEYSA-N 2 2 280.372 0.236 20 0 CCADLP CC(C)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001406250759 919137116 /nfs/dbraw/zinc/13/71/16/919137116.db2.gz UROTVYWIYQLBIJ-QJPTWQEYSA-N 2 2 280.372 0.236 20 0 CCADLP O=CN1CCC([NH2+]C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001333778112 919155716 /nfs/dbraw/zinc/15/57/16/919155716.db2.gz ZRBIXNFZTSGIBE-AWEZNQCLSA-N 2 2 269.389 0.044 20 0 CCADLP O=CN1CCC([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001333778112 919155730 /nfs/dbraw/zinc/15/57/30/919155730.db2.gz ZRBIXNFZTSGIBE-AWEZNQCLSA-N 2 2 269.389 0.044 20 0 CCADLP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1nnc(C)o1)[NH+](C)C ZINC001406529631 919327703 /nfs/dbraw/zinc/32/77/03/919327703.db2.gz ORCYMVJVERWENN-ONGXEEELSA-N 2 2 283.376 0.313 20 0 CCADLP C[C@@H](O)CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001407034965 919581625 /nfs/dbraw/zinc/58/16/25/919581625.db2.gz FSYAOICUXQCVBW-OCCSQVGLSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@@H](O)CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001407034965 919581640 /nfs/dbraw/zinc/58/16/40/919581640.db2.gz FSYAOICUXQCVBW-OCCSQVGLSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CCCC1 ZINC001407177056 919650783 /nfs/dbraw/zinc/65/07/83/919650783.db2.gz UVXNWVRAZKXQAK-TZMCWYRMSA-N 2 2 294.399 0.529 20 0 CCADLP CC[C@H](C(=O)NC[C@@H]1COCC[N@@H+]1CC)[NH+](CC)CC ZINC001407760788 919876493 /nfs/dbraw/zinc/87/64/93/919876493.db2.gz RELOFXFEUHNKNJ-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP CC[C@H](C(=O)NC[C@@H]1COCC[N@H+]1CC)[NH+](CC)CC ZINC001407760788 919876500 /nfs/dbraw/zinc/87/65/00/919876500.db2.gz RELOFXFEUHNKNJ-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP CC[C@@H](F)C[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001407843817 919916205 /nfs/dbraw/zinc/91/62/05/919916205.db2.gz BMNQDPROFNJWOY-OLZOCXBDSA-N 2 2 298.362 0.448 20 0 CCADLP CCC1([NH2+]CCO)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001408012432 919986817 /nfs/dbraw/zinc/98/68/17/919986817.db2.gz UVKKTISZJMUHEG-UHFFFAOYSA-N 2 2 294.399 0.626 20 0 CCADLP C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CCn1cccn1 ZINC001408226219 920101490 /nfs/dbraw/zinc/10/14/90/920101490.db2.gz HEGPNFCWGLMUGC-LBPRGKRZSA-N 2 2 290.371 0.333 20 0 CCADLP COCn1ncc(C)c1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001336697590 920936833 /nfs/dbraw/zinc/93/68/33/920936833.db2.gz LHLGRECMCMOYIW-TXEJJXNPSA-N 2 2 250.346 0.447 20 0 CCADLP COCn1ncc(C)c1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001336697590 920936858 /nfs/dbraw/zinc/93/68/58/920936858.db2.gz LHLGRECMCMOYIW-TXEJJXNPSA-N 2 2 250.346 0.447 20 0 CCADLP C[C@H]([NH2+]CCC[NH+]1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001336751392 920977510 /nfs/dbraw/zinc/97/75/10/920977510.db2.gz PUSRKQDCEVBENV-STQMWFEESA-N 2 2 274.430 0.885 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CC1CC1 ZINC001418235495 921950315 /nfs/dbraw/zinc/95/03/15/921950315.db2.gz DUVYEIMPHGYTBQ-YPMHNXCESA-N 2 2 276.384 0.950 20 0 CCADLP C[NH+](C)CCCNC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC001340158194 921987745 /nfs/dbraw/zinc/98/77/45/921987745.db2.gz XPHPIMRVPNUPTP-UHFFFAOYSA-N 2 2 299.444 0.956 20 0 CCADLP C[NH2+]CCC1CCN(C(=O)C[C@@H]([NH3+])C(F)F)CC1 ZINC001340260600 922027943 /nfs/dbraw/zinc/02/79/43/922027943.db2.gz CFQKIWJHTQWMTQ-SNVBAGLBSA-N 2 2 263.332 0.817 20 0 CCADLP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1CSC[NH2+]1 ZINC001340710879 922177991 /nfs/dbraw/zinc/17/79/91/922177991.db2.gz XEWDGRUWYPHBBS-SDDRHHMPSA-N 2 2 269.414 0.782 20 0 CCADLP O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1CSC[NH2+]1 ZINC001340710879 922177993 /nfs/dbraw/zinc/17/79/93/922177993.db2.gz XEWDGRUWYPHBBS-SDDRHHMPSA-N 2 2 269.414 0.782 20 0 CCADLP O=C(NC[C@H]1COCC[NH2+]1)c1cc2c[nH+]ccc2[nH]1 ZINC001340845296 922236982 /nfs/dbraw/zinc/23/69/82/922236982.db2.gz RRPHSPFMPLHNQG-JTQLQIEISA-N 2 2 260.297 0.281 20 0 CCADLP C[C@@H](C(=O)Nc1cc2n(n1)CC[NH2+]C2)n1cc[nH+]c1 ZINC001341506906 922519148 /nfs/dbraw/zinc/51/91/48/922519148.db2.gz VGUFWOLESCVSPL-VIFPVBQESA-N 2 2 260.301 0.383 20 0 CCADLP CC(C)C[C@H](C)C[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001418965201 922520712 /nfs/dbraw/zinc/52/07/12/922520712.db2.gz HFQMSRQZNUEFBS-DZGCQCFKSA-N 2 2 297.443 0.800 20 0 CCADLP CC(C)C[C@H](C)C[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001418965201 922520720 /nfs/dbraw/zinc/52/07/20/922520720.db2.gz HFQMSRQZNUEFBS-DZGCQCFKSA-N 2 2 297.443 0.800 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H]([NH3+])C(F)F ZINC001341684088 922628126 /nfs/dbraw/zinc/62/81/26/922628126.db2.gz LDUHVQGICOKMFN-ZJUUUORDSA-N 2 2 263.332 0.960 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H]([NH3+])C(F)F ZINC001341684088 922628139 /nfs/dbraw/zinc/62/81/39/922628139.db2.gz LDUHVQGICOKMFN-ZJUUUORDSA-N 2 2 263.332 0.960 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC001341861121 922698496 /nfs/dbraw/zinc/69/84/96/922698496.db2.gz ZQPMRNDUUXENFY-IJLUTSLNSA-N 2 2 262.357 0.721 20 0 CCADLP Cc1ccc(NCCNC(=O)[C@H]2CSC[NH2+]2)[nH+]c1 ZINC001341969434 922743641 /nfs/dbraw/zinc/74/36/41/922743641.db2.gz YUVKUCWMVKMSJM-SNVBAGLBSA-N 2 2 266.370 0.581 20 0 CCADLP CC1(C)C[NH2+]C[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001342113307 922811136 /nfs/dbraw/zinc/81/11/36/922811136.db2.gz ZWNNZGMPQROHCG-WDEREUQCSA-N 2 2 262.357 0.560 20 0 CCADLP [NH3+][C@H]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001342408116 922946684 /nfs/dbraw/zinc/94/66/84/922946684.db2.gz ADRXFGSRDKZLSF-SRVKXCTJSA-N 2 2 262.357 0.832 20 0 CCADLP [NH3+][C@H]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001342408115 922947493 /nfs/dbraw/zinc/94/74/93/922947493.db2.gz ADRXFGSRDKZLSF-IJLUTSLNSA-N 2 2 262.357 0.832 20 0 CCADLP Nc1ccccc1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001342548600 922996417 /nfs/dbraw/zinc/99/64/17/922996417.db2.gz GQOWQZMPSRFVKV-UHFFFAOYSA-N 2 2 262.357 0.422 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]([NH3+])CC1CC1 ZINC001342609699 923022191 /nfs/dbraw/zinc/02/21/91/923022191.db2.gz VXGXKSJEKCRGTM-CHWSQXEVSA-N 2 2 269.389 0.341 20 0 CCADLP Cc1cccnc1C[NH2+][C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001419853260 923132087 /nfs/dbraw/zinc/13/20/87/923132087.db2.gz UBSMFBFNAWEWJC-LBPRGKRZSA-N 2 2 287.367 0.950 20 0 CCADLP COC[C@H](C)[NH2+][C@H](CNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001419912383 923160876 /nfs/dbraw/zinc/16/08/76/923160876.db2.gz VOSMXHREVHCFRR-WCQYABFASA-N 2 2 282.388 0.718 20 0 CCADLP CC(C)(C(=O)N1CCC[C@H](C[NH3+])C1)c1c[nH+]c[nH]1 ZINC001343037602 923176852 /nfs/dbraw/zinc/17/68/52/923176852.db2.gz MZAUUHPYAWSXEO-SNVBAGLBSA-N 2 2 250.346 0.885 20 0 CCADLP C[NH+](C)CCCC(=O)N1CC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001419966643 923196645 /nfs/dbraw/zinc/19/66/45/923196645.db2.gz LTSOAMUFTWKVKD-NSHDSACASA-N 2 2 297.428 0.570 20 0 CCADLP COCC[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001420010936 923235587 /nfs/dbraw/zinc/23/55/87/923235587.db2.gz LSSXLNLEVAQOBH-CHWSQXEVSA-N 2 2 294.399 0.560 20 0 CCADLP COCC[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001420010936 923235597 /nfs/dbraw/zinc/23/55/97/923235597.db2.gz LSSXLNLEVAQOBH-CHWSQXEVSA-N 2 2 294.399 0.560 20 0 CCADLP C[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C[C@@H]1CCCCO1 ZINC001420318263 923537547 /nfs/dbraw/zinc/53/75/47/923537547.db2.gz MENVFZIPDKNANS-LBPRGKRZSA-N 2 2 280.372 0.569 20 0 CCADLP C[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C[C@@H]1CCCCO1 ZINC001420318263 923537560 /nfs/dbraw/zinc/53/75/60/923537560.db2.gz MENVFZIPDKNANS-LBPRGKRZSA-N 2 2 280.372 0.569 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+]Cc1cnns1 ZINC001420318382 923540377 /nfs/dbraw/zinc/54/03/77/923540377.db2.gz DKWQUORDYJISER-SECBINFHSA-N 2 2 294.384 0.338 20 0 CCADLP CCc1nnc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001420391692 923614287 /nfs/dbraw/zinc/61/42/87/923614287.db2.gz CTIUJXCWWMWOLZ-QWRGUYRKSA-N 2 2 295.387 0.321 20 0 CCADLP CCc1nnc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001420391692 923614298 /nfs/dbraw/zinc/61/42/98/923614298.db2.gz CTIUJXCWWMWOLZ-QWRGUYRKSA-N 2 2 295.387 0.321 20 0 CCADLP CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)c1nnc(C)[nH]1)[NH+](C)C ZINC001420431856 923656735 /nfs/dbraw/zinc/65/67/35/923656735.db2.gz DAPAHXWJZAAKPJ-HOSYDEDBSA-N 2 2 296.419 0.609 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CC[N@@H+]1C[C@H]1CCOC1 ZINC001420852309 923982358 /nfs/dbraw/zinc/98/23/58/923982358.db2.gz UFHUGZUAAGCTMA-KGLIPLIRSA-N 2 2 292.383 0.500 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CC[N@H+]1C[C@H]1CCOC1 ZINC001420852309 923982368 /nfs/dbraw/zinc/98/23/68/923982368.db2.gz UFHUGZUAAGCTMA-KGLIPLIRSA-N 2 2 292.383 0.500 20 0 CCADLP CO[C@H](C)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001420950624 924049485 /nfs/dbraw/zinc/04/94/85/924049485.db2.gz CKKSAMHXQFTENU-IJLUTSLNSA-N 2 2 292.383 0.787 20 0 CCADLP CO[C@H](C)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001420950624 924049490 /nfs/dbraw/zinc/04/94/90/924049490.db2.gz CKKSAMHXQFTENU-IJLUTSLNSA-N 2 2 292.383 0.787 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001421069797 924133019 /nfs/dbraw/zinc/13/30/19/924133019.db2.gz AJFURHIKJIEXRF-UHFFFAOYSA-N 2 2 285.432 0.753 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001421069797 924133025 /nfs/dbraw/zinc/13/30/25/924133025.db2.gz AJFURHIKJIEXRF-UHFFFAOYSA-N 2 2 285.432 0.753 20 0 CCADLP CC(C)[C@@H](C(=O)N(C)C1C[NH+](C[C@H](C)O)C1)[NH+]1CCCC1 ZINC001421092757 924145469 /nfs/dbraw/zinc/14/54/69/924145469.db2.gz NKCXIKWEIDOJDR-ZFWWWQNUSA-N 2 2 297.443 0.630 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC1C[NH+](CCC[C@@H](C)O)C1 ZINC001421096139 924149038 /nfs/dbraw/zinc/14/90/38/924149038.db2.gz KDBMFTHHHDBNGU-LLVKDONJSA-N 2 2 280.372 0.153 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1C[NH+](CC2CC(F)(F)C2)C1 ZINC001421195665 924204049 /nfs/dbraw/zinc/20/40/49/924204049.db2.gz WQRRIKOPIKOVMZ-UHFFFAOYSA-N 2 2 298.337 0.976 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)N[C@@H]2C[C@H]2C2CC2)CC1 ZINC001346428875 924206679 /nfs/dbraw/zinc/20/66/79/924206679.db2.gz IBZJNNYKSBUFGY-QWHCGFSZSA-N 2 2 266.389 0.507 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001421229758 924231863 /nfs/dbraw/zinc/23/18/63/924231863.db2.gz ZRWARMQCBQWOMZ-JSGCOSHPSA-N 2 2 280.372 0.499 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001421229758 924231873 /nfs/dbraw/zinc/23/18/73/924231873.db2.gz ZRWARMQCBQWOMZ-JSGCOSHPSA-N 2 2 280.372 0.499 20 0 CCADLP C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001347099215 924370851 /nfs/dbraw/zinc/37/08/51/924370851.db2.gz ULUXXGGJHWDYML-QWRGUYRKSA-N 2 2 250.346 0.560 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)[C@H](C)n2cc[nH+]c2)CC[NH2+]1 ZINC001347896770 924556912 /nfs/dbraw/zinc/55/69/12/924556912.db2.gz ZQALOTMVHMCCDJ-RYUDHWBXSA-N 2 2 250.346 0.901 20 0 CCADLP COCn1ncc(C)c1C[NH2+]C1CC[NH+](C)CC1 ZINC001351927272 925493998 /nfs/dbraw/zinc/49/39/98/925493998.db2.gz WZODQXJMFIYXGW-UHFFFAOYSA-N 2 2 252.362 0.979 20 0 CCADLP Cn1nncc1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC001352863529 925660603 /nfs/dbraw/zinc/66/06/03/925660603.db2.gz PBRHXCKODKTPFG-UHFFFAOYSA-N 2 2 267.377 0.140 20 0 CCADLP C[NH2+]CCCCC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC001353534136 925863575 /nfs/dbraw/zinc/86/35/75/925863575.db2.gz CQKXFVMHEGRBTH-GFCCVEGCSA-N 2 2 257.378 0.213 20 0 CCADLP C[NH2+]CCCCC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC001353534136 925863586 /nfs/dbraw/zinc/86/35/86/925863586.db2.gz CQKXFVMHEGRBTH-GFCCVEGCSA-N 2 2 257.378 0.213 20 0 CCADLP C[C@H](CO)CCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001357336601 926513351 /nfs/dbraw/zinc/51/33/51/926513351.db2.gz JJKGOJGDOUSUFY-LBPRGKRZSA-N 2 2 286.420 0.117 20 0 CCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001357970301 926615961 /nfs/dbraw/zinc/61/59/61/926615961.db2.gz UTHACEHCTXLLMF-SDDRHHMPSA-N 2 2 260.341 0.408 20 0 CCADLP CN(CCCCCC[NH3+])C(=O)C[C@@H]([NH3+])C(F)F ZINC001358027058 926621339 /nfs/dbraw/zinc/62/13/39/926621339.db2.gz ITSYUPXSKGHKOI-SECBINFHSA-N 2 2 251.321 0.946 20 0 CCADLP [NH3+][C@@H](CC(=O)NC1(C2CC[NH2+]CC2)CC1)C(F)F ZINC001358446817 926701353 /nfs/dbraw/zinc/70/13/53/926701353.db2.gz DYYLWORAQAKWKK-VIFPVBQESA-N 2 2 261.316 0.617 20 0 CCADLP CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001421616570 926819503 /nfs/dbraw/zinc/81/95/03/926819503.db2.gz TVRXGNHFMIMSJH-LALPHHSUSA-N 2 2 292.383 0.476 20 0 CCADLP CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001421616570 926819512 /nfs/dbraw/zinc/81/95/12/926819512.db2.gz TVRXGNHFMIMSJH-LALPHHSUSA-N 2 2 292.383 0.476 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N(CCO)CC[NH2+]C(C)C ZINC001421634450 926825911 /nfs/dbraw/zinc/82/59/11/926825911.db2.gz DKBLJTXCFHNYHN-UHFFFAOYSA-N 2 2 295.383 0.452 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H]1COCC[N@@H+]1CC(C)C)[NH+](C)C ZINC001421698733 926862618 /nfs/dbraw/zinc/86/26/18/926862618.db2.gz HZBSXJBSMFOSMT-KGLIPLIRSA-N 2 2 285.432 0.800 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H]1COCC[N@H+]1CC(C)C)[NH+](C)C ZINC001421698733 926862630 /nfs/dbraw/zinc/86/26/30/926862630.db2.gz HZBSXJBSMFOSMT-KGLIPLIRSA-N 2 2 285.432 0.800 20 0 CCADLP CCOC(=O)[C@@](C)(O)C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001414054842 926905811 /nfs/dbraw/zinc/90/58/11/926905811.db2.gz LJTHGMZYAISZAH-HNNXBMFYSA-N 2 2 295.383 0.914 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1C[N@H+](CCC2CC2)CCO1 ZINC001421799448 926914296 /nfs/dbraw/zinc/91/42/96/926914296.db2.gz NZQCFXAMUVCYCE-CQSZACIVSA-N 2 2 292.383 0.500 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1C[N@@H+](CCC2CC2)CCO1 ZINC001421799448 926914303 /nfs/dbraw/zinc/91/43/03/926914303.db2.gz NZQCFXAMUVCYCE-CQSZACIVSA-N 2 2 292.383 0.500 20 0 CCADLP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)Cc1ccnn1C ZINC001422593223 927394724 /nfs/dbraw/zinc/39/47/24/927394724.db2.gz AAVIJKPMJPOLCN-ZDUSSCGKSA-N 2 2 293.415 0.452 20 0 CCADLP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)Cc1ccnn1C ZINC001422593223 927394732 /nfs/dbraw/zinc/39/47/32/927394732.db2.gz AAVIJKPMJPOLCN-ZDUSSCGKSA-N 2 2 293.415 0.452 20 0 CCADLP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)[N@H+](C)CCCO ZINC001422607390 927405529 /nfs/dbraw/zinc/40/55/29/927405529.db2.gz LJGYHWWGUVIXKD-LBPRGKRZSA-N 2 2 282.388 0.172 20 0 CCADLP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)[N@@H+](C)CCCO ZINC001422607390 927405535 /nfs/dbraw/zinc/40/55/35/927405535.db2.gz LJGYHWWGUVIXKD-LBPRGKRZSA-N 2 2 282.388 0.172 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[C@H]([NH2+]CCO)C(C)C ZINC001422682781 927449433 /nfs/dbraw/zinc/44/94/33/927449433.db2.gz ZKUDHHJZJABMPI-ZDUSSCGKSA-N 2 2 296.415 0.716 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]C[C@H](C)NC(=O)C[NH+]2CCCC2)o1 ZINC001422744753 927485687 /nfs/dbraw/zinc/48/56/87/927485687.db2.gz KWZGRKQNXNIBDQ-QWRGUYRKSA-N 2 2 295.387 0.629 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)o2)C1 ZINC001361984162 927498694 /nfs/dbraw/zinc/49/86/94/927498694.db2.gz GKOOXXPXTHHCLP-LBPRGKRZSA-N 2 2 295.383 0.792 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)o2)C1 ZINC001361984162 927498705 /nfs/dbraw/zinc/49/87/05/927498705.db2.gz GKOOXXPXTHHCLP-LBPRGKRZSA-N 2 2 295.383 0.792 20 0 CCADLP C[C@@H](C[N@H+](C)[C@@H](C)c1ncccn1)NC(=O)CC[NH+](C)C ZINC001422886193 927572282 /nfs/dbraw/zinc/57/22/82/927572282.db2.gz NZMFZFWDVVAWLA-STQMWFEESA-N 2 2 293.415 0.926 20 0 CCADLP C[C@@H](C[N@@H+](C)[C@@H](C)c1ncccn1)NC(=O)CC[NH+](C)C ZINC001422886193 927572293 /nfs/dbraw/zinc/57/22/93/927572293.db2.gz NZMFZFWDVVAWLA-STQMWFEESA-N 2 2 293.415 0.926 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC001362071134 927584362 /nfs/dbraw/zinc/58/43/62/927584362.db2.gz FDNNAPMQYWKSML-MCIONIFRSA-N 2 2 285.432 0.800 20 0 CCADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]C[C@@H]1CCOC1 ZINC001423141250 927691207 /nfs/dbraw/zinc/69/12/07/927691207.db2.gz SHHYVRLUCULQIP-RYUDHWBXSA-N 2 2 280.372 0.425 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001362183863 927703395 /nfs/dbraw/zinc/70/33/95/927703395.db2.gz ZKEVYMJNBOCECF-NWDGAFQWSA-N 2 2 278.356 0.240 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001362183863 927703404 /nfs/dbraw/zinc/70/34/04/927703404.db2.gz ZKEVYMJNBOCECF-NWDGAFQWSA-N 2 2 278.356 0.240 20 0 CCADLP CC(C)(C)CC[NH2+][C@@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001423301285 927796940 /nfs/dbraw/zinc/79/69/40/927796940.db2.gz KFYMDZAZHQSGRE-LLVKDONJSA-N 2 2 282.388 0.455 20 0 CCADLP CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001426066133 928746555 /nfs/dbraw/zinc/74/65/55/928746555.db2.gz IPRSGWGBPJXKJL-OLZOCXBDSA-N 2 2 294.399 0.217 20 0 CCADLP CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001426066133 928746559 /nfs/dbraw/zinc/74/65/59/928746559.db2.gz IPRSGWGBPJXKJL-OLZOCXBDSA-N 2 2 294.399 0.217 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC001426673178 928893473 /nfs/dbraw/zinc/89/34/73/928893473.db2.gz SPRXHIRMNGRJEO-LBPRGKRZSA-N 2 2 291.399 0.746 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC001426673178 928893479 /nfs/dbraw/zinc/89/34/79/928893479.db2.gz SPRXHIRMNGRJEO-LBPRGKRZSA-N 2 2 291.399 0.746 20 0 CCADLP C([C@H]1COCCO1)[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001363330031 929119295 /nfs/dbraw/zinc/11/92/95/929119295.db2.gz VLIKFGRQJZCBPQ-HNNXBMFYSA-N 2 2 284.400 0.635 20 0 CCADLP CC(C)[NH+]1CCC(C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)CC1 ZINC001363518009 929319279 /nfs/dbraw/zinc/31/92/79/929319279.db2.gz BKRYVHSVCAFRIK-AWEZNQCLSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)[NH+]1CCC(C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)CC1 ZINC001363518009 929319291 /nfs/dbraw/zinc/31/92/91/929319291.db2.gz BKRYVHSVCAFRIK-AWEZNQCLSA-N 2 2 294.399 0.550 20 0 CCADLP Cc1[nH]c(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)c(C)[nH+]1 ZINC001363610837 929413487 /nfs/dbraw/zinc/41/34/87/929413487.db2.gz VUOXTWVWDYMFJA-JTQLQIEISA-N 2 2 280.372 0.611 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ncccn2)C1 ZINC001363844626 929627703 /nfs/dbraw/zinc/62/77/03/929627703.db2.gz LETVWAMJRRGNQW-KGLIPLIRSA-N 2 2 278.400 0.967 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ncccn2)C1 ZINC001363844626 929627708 /nfs/dbraw/zinc/62/77/08/929627708.db2.gz LETVWAMJRRGNQW-KGLIPLIRSA-N 2 2 278.400 0.967 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](c2ncccn2)C1 ZINC001363844626 929627712 /nfs/dbraw/zinc/62/77/12/929627712.db2.gz LETVWAMJRRGNQW-KGLIPLIRSA-N 2 2 278.400 0.967 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](c2ncccn2)C1 ZINC001363844626 929627719 /nfs/dbraw/zinc/62/77/19/929627719.db2.gz LETVWAMJRRGNQW-KGLIPLIRSA-N 2 2 278.400 0.967 20 0 CCADLP CC(C)OCC[NH+]1CC(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001443519599 929633561 /nfs/dbraw/zinc/63/35/61/929633561.db2.gz DAEORVFXYBFFMJ-UHFFFAOYSA-N 2 2 297.443 0.944 20 0 CCADLP CC[NH+]1CC(NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001443522052 929633764 /nfs/dbraw/zinc/63/37/64/929633764.db2.gz CXXDYWFBCXAKBD-UHFFFAOYSA-N 2 2 275.396 0.981 20 0 CCADLP CC[NH+]1CC(NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001443522052 929633767 /nfs/dbraw/zinc/63/37/67/929633767.db2.gz CXXDYWFBCXAKBD-UHFFFAOYSA-N 2 2 275.396 0.981 20 0 CCADLP CC(C)[C@@H](C(=O)NC1C[NH+](CCCO)C1)[NH+]1CCCCC1 ZINC001443561623 929647230 /nfs/dbraw/zinc/64/72/30/929647230.db2.gz MFTUREZUAOHIKT-HNNXBMFYSA-N 2 2 297.443 0.680 20 0 CCADLP C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]C[C@H]1CCCOC1 ZINC001371857629 929648635 /nfs/dbraw/zinc/64/86/35/929648635.db2.gz AYGQUNMBCZWKKH-QWHCGFSZSA-N 2 2 294.399 0.863 20 0 CCADLP CCN(C(=O)Cc1[nH]c[nH+]c1C)[C@@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001443883298 929727299 /nfs/dbraw/zinc/72/72/99/929727299.db2.gz XADVODKRAGVJCP-DGCLKSJQSA-N 2 2 294.399 0.564 20 0 CCADLP CCN(C(=O)Cc1[nH]c[nH+]c1C)[C@@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001443883298 929727309 /nfs/dbraw/zinc/72/73/09/929727309.db2.gz XADVODKRAGVJCP-DGCLKSJQSA-N 2 2 294.399 0.564 20 0 CCADLP COC[C@@H](C)[N@H+](C)CCNC(=O)CCc1c[nH+]cn1C ZINC001372202137 929764502 /nfs/dbraw/zinc/76/45/02/929764502.db2.gz DTZJTARUHGGXOJ-GFCCVEGCSA-N 2 2 282.388 0.436 20 0 CCADLP COC[C@@H](C)[N@@H+](C)CCNC(=O)CCc1c[nH+]cn1C ZINC001372202137 929764507 /nfs/dbraw/zinc/76/45/07/929764507.db2.gz DTZJTARUHGGXOJ-GFCCVEGCSA-N 2 2 282.388 0.436 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[N@@H+](C)Cc1cnn(C)c1 ZINC001372221590 929772100 /nfs/dbraw/zinc/77/21/00/929772100.db2.gz FMOQYEVSABKRPL-UHFFFAOYSA-N 2 2 290.371 0.173 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[N@H+](C)Cc1cnn(C)c1 ZINC001372221590 929772108 /nfs/dbraw/zinc/77/21/08/929772108.db2.gz FMOQYEVSABKRPL-UHFFFAOYSA-N 2 2 290.371 0.173 20 0 CCADLP CC[N@H+](CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)C[C@@H](C)O ZINC001372370949 929821440 /nfs/dbraw/zinc/82/14/40/929821440.db2.gz YYRWOQAXKHZCHB-OLZOCXBDSA-N 2 2 294.399 0.264 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)C[C@@H](C)O ZINC001372370949 929821455 /nfs/dbraw/zinc/82/14/55/929821455.db2.gz YYRWOQAXKHZCHB-OLZOCXBDSA-N 2 2 294.399 0.264 20 0 CCADLP CCCC[N@@H+]1CCO[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001444486182 929882118 /nfs/dbraw/zinc/88/21/18/929882118.db2.gz PYGWRKQZNCMRBK-AWEZNQCLSA-N 2 2 294.399 0.580 20 0 CCADLP CCCC[N@H+]1CCO[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001444486182 929882131 /nfs/dbraw/zinc/88/21/31/929882131.db2.gz PYGWRKQZNCMRBK-AWEZNQCLSA-N 2 2 294.399 0.580 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001372667869 929910230 /nfs/dbraw/zinc/91/02/30/929910230.db2.gz SRBSEYODAQYUGB-VXGBXAGGSA-N 2 2 280.372 0.425 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001372667869 929910237 /nfs/dbraw/zinc/91/02/37/929910237.db2.gz SRBSEYODAQYUGB-VXGBXAGGSA-N 2 2 280.372 0.425 20 0 CCADLP COCC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001373303120 930132847 /nfs/dbraw/zinc/13/28/47/930132847.db2.gz WPKSMUDNMZOARU-LBPRGKRZSA-N 2 2 280.372 0.379 20 0 CCADLP COCC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001373303120 930132856 /nfs/dbraw/zinc/13/28/56/930132856.db2.gz WPKSMUDNMZOARU-LBPRGKRZSA-N 2 2 280.372 0.379 20 0 CCADLP C[C@H](C[NH2+]Cc1cnsn1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001445502034 930149847 /nfs/dbraw/zinc/14/98/47/930149847.db2.gz PWWGCVMAKLNSEY-ZJUUUORDSA-N 2 2 283.401 0.084 20 0 CCADLP C[C@H](C[NH2+]Cc1cnsn1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001445502034 930149852 /nfs/dbraw/zinc/14/98/52/930149852.db2.gz PWWGCVMAKLNSEY-ZJUUUORDSA-N 2 2 283.401 0.084 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001373453220 930200447 /nfs/dbraw/zinc/20/04/47/930200447.db2.gz NGMIMHUDHSSAEP-DGCLKSJQSA-N 2 2 271.405 0.408 20 0 CCADLP C[C@@H](C[N@H+](C)CCF)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001445759182 930243718 /nfs/dbraw/zinc/24/37/18/930243718.db2.gz GKNISIAOBBJEGE-JTQLQIEISA-N 2 2 286.351 0.756 20 0 CCADLP C[C@@H](C[N@@H+](C)CCF)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001445759182 930243730 /nfs/dbraw/zinc/24/37/30/930243730.db2.gz GKNISIAOBBJEGE-JTQLQIEISA-N 2 2 286.351 0.756 20 0 CCADLP CCN(C(=O)CCn1cc[nH+]c1)[C@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001373708648 930306310 /nfs/dbraw/zinc/30/63/10/930306310.db2.gz IYTAFXCSDQVSFR-KGLIPLIRSA-N 2 2 294.399 0.577 20 0 CCADLP CCN(C(=O)CCn1cc[nH+]c1)[C@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001373708648 930306319 /nfs/dbraw/zinc/30/63/19/930306319.db2.gz IYTAFXCSDQVSFR-KGLIPLIRSA-N 2 2 294.399 0.577 20 0 CCADLP CC[C@H](C[NH+]1CC(N(C)C(=O)CCn2cc[nH+]c2)C1)OC ZINC001446378976 930401725 /nfs/dbraw/zinc/40/17/25/930401725.db2.gz ITADEOJVAIMFOG-CQSZACIVSA-N 2 2 294.399 0.841 20 0 CCADLP COCC[N@@H+]1CC[C@](C)(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001446541087 930431629 /nfs/dbraw/zinc/43/16/29/930431629.db2.gz LHNXRIUEQAFJRA-HNNXBMFYSA-N 2 2 294.399 0.580 20 0 CCADLP COCC[N@H+]1CC[C@](C)(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001446541087 930431634 /nfs/dbraw/zinc/43/16/34/930431634.db2.gz LHNXRIUEQAFJRA-HNNXBMFYSA-N 2 2 294.399 0.580 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]C[C@H](C)O)CCCC1 ZINC001374177947 930443864 /nfs/dbraw/zinc/44/38/64/930443864.db2.gz LAIARBSZTJHCPH-NSHDSACASA-N 2 2 294.399 0.660 20 0 CCADLP CC(C)[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001446785777 930485615 /nfs/dbraw/zinc/48/56/15/930485615.db2.gz VFHGJLPBEFGKOQ-IUODEOHRSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001446785777 930485619 /nfs/dbraw/zinc/48/56/19/930485619.db2.gz VFHGJLPBEFGKOQ-IUODEOHRSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001446785777 930485624 /nfs/dbraw/zinc/48/56/24/930485624.db2.gz VFHGJLPBEFGKOQ-IUODEOHRSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001446785777 930485628 /nfs/dbraw/zinc/48/56/28/930485628.db2.gz VFHGJLPBEFGKOQ-IUODEOHRSA-N 2 2 294.399 0.550 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@H]1COCC[NH+]1CC1CCC1 ZINC001447152585 930576359 /nfs/dbraw/zinc/57/63/59/930576359.db2.gz NZEZRVGNAZSPDI-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@H]1COCC[NH+]1CC1CCC1 ZINC001447152585 930576374 /nfs/dbraw/zinc/57/63/74/930576374.db2.gz NZEZRVGNAZSPDI-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[NH+](C)CC(=O)NC[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001447152585 930576380 /nfs/dbraw/zinc/57/63/80/930576380.db2.gz NZEZRVGNAZSPDI-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[NH+](C)CC(=O)NC[C@H]1COCC[N@H+]1CC1CCC1 ZINC001447152585 930576394 /nfs/dbraw/zinc/57/63/94/930576394.db2.gz NZEZRVGNAZSPDI-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP C[C@H](O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC001447208156 930588355 /nfs/dbraw/zinc/58/83/55/930588355.db2.gz FQFHJQIMHQBSAY-QJPTWQEYSA-N 2 2 292.383 0.523 20 0 CCADLP C[C@H](O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC001447208156 930588365 /nfs/dbraw/zinc/58/83/65/930588365.db2.gz FQFHJQIMHQBSAY-QJPTWQEYSA-N 2 2 292.383 0.523 20 0 CCADLP CC(C)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001374617898 930596720 /nfs/dbraw/zinc/59/67/20/930596720.db2.gz NBHCMCUTIQCWIG-OLZOCXBDSA-N 2 2 294.399 0.168 20 0 CCADLP CC1CC(C[NH2+]C[C@@H](O)CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001374654623 930607741 /nfs/dbraw/zinc/60/77/41/930607741.db2.gz SQTDIPOKUARQOZ-GCZXYKMCSA-N 2 2 280.372 0.065 20 0 CCADLP C[C@H](C[NH2+]Cc1ccnn1C)NC(=O)CCn1cc[nH+]c1 ZINC001374796035 930667381 /nfs/dbraw/zinc/66/73/81/930667381.db2.gz PMHDYNNCUFCKNK-GFCCVEGCSA-N 2 2 290.371 0.301 20 0 CCADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)[NH2+]CC1CCOCC1 ZINC001447909418 930753184 /nfs/dbraw/zinc/75/31/84/930753184.db2.gz NQUQIQPFJVYUHY-VXGBXAGGSA-N 2 2 294.399 0.862 20 0 CCADLP C[C@H](C[N@H+](C)CCCO)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001375066793 930782683 /nfs/dbraw/zinc/78/26/83/930782683.db2.gz YGOZFFVUULTGAS-OLZOCXBDSA-N 2 2 294.399 0.264 20 0 CCADLP C[C@H](C[N@@H+](C)CCCO)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001375066793 930782692 /nfs/dbraw/zinc/78/26/92/930782692.db2.gz YGOZFFVUULTGAS-OLZOCXBDSA-N 2 2 294.399 0.264 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[N@H+](C)CCCO ZINC001448043865 930795563 /nfs/dbraw/zinc/79/55/63/930795563.db2.gz IOUQAFPWBKSFPP-QWHCGFSZSA-N 2 2 294.399 0.264 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[N@@H+](C)CCCO ZINC001448043865 930795572 /nfs/dbraw/zinc/79/55/72/930795572.db2.gz IOUQAFPWBKSFPP-QWHCGFSZSA-N 2 2 294.399 0.264 20 0 CCADLP C[C@H](O)CCC[N@@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001375384073 930871990 /nfs/dbraw/zinc/87/19/90/930871990.db2.gz QTRCGYNAECDWEF-STQMWFEESA-N 2 2 280.372 0.235 20 0 CCADLP C[C@H](O)CCC[N@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001375384073 930871993 /nfs/dbraw/zinc/87/19/93/930871993.db2.gz QTRCGYNAECDWEF-STQMWFEESA-N 2 2 280.372 0.235 20 0 CCADLP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]C[C@H]1CCCCO1 ZINC001448788734 930983087 /nfs/dbraw/zinc/98/30/87/930983087.db2.gz FINPRPYSOYPKKX-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP COCC[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001375846588 930992802 /nfs/dbraw/zinc/99/28/02/930992802.db2.gz GPWOJJNJGVGFTH-DOMZBBRYSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@H+]1CC[C@](C)(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001375846588 930992808 /nfs/dbraw/zinc/99/28/08/930992808.db2.gz GPWOJJNJGVGFTH-DOMZBBRYSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001375846588 930992813 /nfs/dbraw/zinc/99/28/13/930992813.db2.gz GPWOJJNJGVGFTH-DOMZBBRYSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@H+]1CC[C@](C)(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001375846588 930992820 /nfs/dbraw/zinc/99/28/20/930992820.db2.gz GPWOJJNJGVGFTH-DOMZBBRYSA-N 2 2 294.399 0.815 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001376126893 931060264 /nfs/dbraw/zinc/06/02/64/931060264.db2.gz BFKGLBBQUVOWPU-DGCLKSJQSA-N 2 2 280.372 0.568 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001376126893 931060271 /nfs/dbraw/zinc/06/02/71/931060271.db2.gz BFKGLBBQUVOWPU-DGCLKSJQSA-N 2 2 280.372 0.568 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001376126893 931060282 /nfs/dbraw/zinc/06/02/82/931060282.db2.gz BFKGLBBQUVOWPU-DGCLKSJQSA-N 2 2 280.372 0.568 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001376126893 931060287 /nfs/dbraw/zinc/06/02/87/931060287.db2.gz BFKGLBBQUVOWPU-DGCLKSJQSA-N 2 2 280.372 0.568 20 0 CCADLP CC(C)C[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001449156789 931088297 /nfs/dbraw/zinc/08/82/97/931088297.db2.gz HHTVQJRIQHIPGM-GFCCVEGCSA-N 2 2 296.415 0.752 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](O)C[NH2+]CC1CC1 ZINC001449175380 931090566 /nfs/dbraw/zinc/09/05/66/931090566.db2.gz UXNVQJITJQFNHA-LBPRGKRZSA-N 2 2 280.372 0.080 20 0 CCADLP CN(C[C@H](O)C[N@H+](C)CCC1CC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001449234934 931108376 /nfs/dbraw/zinc/10/83/76/931108376.db2.gz QGSZQJFJVHCAQE-CQSZACIVSA-N 2 2 294.399 0.503 20 0 CCADLP CN(C[C@H](O)C[N@@H+](C)CCC1CC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001449234934 931108381 /nfs/dbraw/zinc/10/83/81/931108381.db2.gz QGSZQJFJVHCAQE-CQSZACIVSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001376615127 931192626 /nfs/dbraw/zinc/19/26/26/931192626.db2.gz WUNJYDINFCYYRU-GXTWGEPZSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001376615127 931192631 /nfs/dbraw/zinc/19/26/31/931192631.db2.gz WUNJYDINFCYYRU-GXTWGEPZSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]Cc1cnon1 ZINC001376780905 931267304 /nfs/dbraw/zinc/26/73/04/931267304.db2.gz COVHFYAYKOTIRG-NSHDSACASA-N 2 2 295.387 0.538 20 0 CCADLP CCCCOCCNC(=O)C[NH+]1CCC([NH3+])CC1 ZINC000092714436 349503689 /nfs/dbraw/zinc/50/36/89/349503689.db2.gz NVZSFGPHUJIJPM-UHFFFAOYSA-N 2 2 257.378 0.342 20 0 CCADLP CN(C)C(=O)CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000337508196 214128453 /nfs/dbraw/zinc/12/84/53/214128453.db2.gz GWUZNKJBRSYBGE-UHFFFAOYSA-N 2 2 297.322 0.711 20 0 CCADLP COC(=O)[C@]1(OC)CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000599565567 361744924 /nfs/dbraw/zinc/74/49/24/361744924.db2.gz VEICBZBBUQCPBY-ZDUSSCGKSA-N 2 2 267.329 0.227 20 0 CCADLP COC(=O)[C@]1(OC)CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000599565567 361744927 /nfs/dbraw/zinc/74/49/27/361744927.db2.gz VEICBZBBUQCPBY-ZDUSSCGKSA-N 2 2 267.329 0.227 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H](C(=O)OC)[N@H+](CCn2cc[nH+]c2)C1 ZINC000599587305 361754769 /nfs/dbraw/zinc/75/47/69/361754769.db2.gz GJSWUYXNKGXFKQ-NEPJUHHUSA-N 2 2 295.339 0.310 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H](C(=O)OC)[N@@H+](CCn2cc[nH+]c2)C1 ZINC000599587305 361754774 /nfs/dbraw/zinc/75/47/74/361754774.db2.gz GJSWUYXNKGXFKQ-NEPJUHHUSA-N 2 2 295.339 0.310 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2c[nH]nc2C)CC1 ZINC000093046295 349522439 /nfs/dbraw/zinc/52/24/39/349522439.db2.gz IPQNEUJGPAYOBB-UHFFFAOYSA-N 2 2 293.415 0.704 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc[nH]n3)C2)CC1 ZINC000093133386 349526953 /nfs/dbraw/zinc/52/69/53/349526953.db2.gz VISWTPQQUXVAPV-CQSZACIVSA-N 2 2 263.389 0.622 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc[nH]n3)C2)CC1 ZINC000093133386 349526955 /nfs/dbraw/zinc/52/69/55/349526955.db2.gz VISWTPQQUXVAPV-CQSZACIVSA-N 2 2 263.389 0.622 20 0 CCADLP COCCCNC(=O)C1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000337656231 214200476 /nfs/dbraw/zinc/20/04/76/214200476.db2.gz FOLUENVZHVUGFG-UHFFFAOYSA-N 2 2 294.399 0.748 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnnn2C)[C@H](C)C1 ZINC000093638703 349547748 /nfs/dbraw/zinc/54/77/48/349547748.db2.gz JPNGUASEQRHMHG-YPMHNXCESA-N 2 2 251.378 0.977 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnnn2C)[C@H](C)C1 ZINC000093638703 349547750 /nfs/dbraw/zinc/54/77/50/349547750.db2.gz JPNGUASEQRHMHG-YPMHNXCESA-N 2 2 251.378 0.977 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnnn2C)[C@H](C)C1 ZINC000093638703 349547752 /nfs/dbraw/zinc/54/77/52/349547752.db2.gz JPNGUASEQRHMHG-YPMHNXCESA-N 2 2 251.378 0.977 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnnn2C)[C@H](C)C1 ZINC000093638703 349547754 /nfs/dbraw/zinc/54/77/54/349547754.db2.gz JPNGUASEQRHMHG-YPMHNXCESA-N 2 2 251.378 0.977 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)NC2CC[NH2+]CC2)CCO1 ZINC000418309203 529391988 /nfs/dbraw/zinc/39/19/88/529391988.db2.gz NIPPVWBCFWYLLW-CYBMUJFWSA-N 2 2 284.404 0.148 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH2+]CC2)CCO1 ZINC000418309203 529391989 /nfs/dbraw/zinc/39/19/89/529391989.db2.gz NIPPVWBCFWYLLW-CYBMUJFWSA-N 2 2 284.404 0.148 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000418717843 529446917 /nfs/dbraw/zinc/44/69/17/529446917.db2.gz HHBMPHTVJUKSSU-NWDGAFQWSA-N 2 2 272.393 0.134 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000418717843 529446918 /nfs/dbraw/zinc/44/69/18/529446918.db2.gz HHBMPHTVJUKSSU-NWDGAFQWSA-N 2 2 272.393 0.134 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cnn(C)c3)C2)CC1 ZINC000107370795 349737173 /nfs/dbraw/zinc/73/71/73/349737173.db2.gz QQNAEQYWUWXVJE-OAHLLOKOSA-N 2 2 277.416 0.632 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnn(C)c3)C2)CC1 ZINC000107370795 349737174 /nfs/dbraw/zinc/73/71/74/349737174.db2.gz QQNAEQYWUWXVJE-OAHLLOKOSA-N 2 2 277.416 0.632 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)CN1CC[NH+](C)CC1)c1ccco1 ZINC000109930186 349755363 /nfs/dbraw/zinc/75/53/63/349755363.db2.gz OJHGZCIGYTUWHO-CYBMUJFWSA-N 2 2 294.399 0.246 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)CN1CC[NH+](C)CC1 ZINC000109948619 349756932 /nfs/dbraw/zinc/75/69/32/349756932.db2.gz DJQQYTWCCLNJTD-UHFFFAOYSA-N 2 2 291.399 0.011 20 0 CCADLP CCc1cnc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)s1 ZINC000358173315 529651991 /nfs/dbraw/zinc/65/19/91/529651991.db2.gz WGESPAMRGGVYLC-LBPRGKRZSA-N 2 2 255.387 0.862 20 0 CCADLP CCc1cnc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)s1 ZINC000358173315 529651994 /nfs/dbraw/zinc/65/19/94/529651994.db2.gz WGESPAMRGGVYLC-LBPRGKRZSA-N 2 2 255.387 0.862 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1[nH]nc2ccccc21 ZINC000600812024 362067459 /nfs/dbraw/zinc/06/74/59/362067459.db2.gz IFZMJJARHQWQFO-GFCCVEGCSA-N 2 2 273.384 0.898 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1[nH]nc2ccccc21 ZINC000600812024 362067461 /nfs/dbraw/zinc/06/74/61/362067461.db2.gz IFZMJJARHQWQFO-GFCCVEGCSA-N 2 2 273.384 0.898 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[NH+]2C2CC2)[C@@H](C)CO1 ZINC000617726193 365734242 /nfs/dbraw/zinc/73/42/42/365734242.db2.gz UCNOVRHXUXUFKX-GUTXKFCHSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[NH+]2C2CC2)[C@@H](C)CO1 ZINC000617726193 365734248 /nfs/dbraw/zinc/73/42/48/365734248.db2.gz UCNOVRHXUXUFKX-GUTXKFCHSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)[C@@H](C)CO1 ZINC000617726193 365734253 /nfs/dbraw/zinc/73/42/53/365734253.db2.gz UCNOVRHXUXUFKX-GUTXKFCHSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@H+]2C2CC2)[C@@H](C)CO1 ZINC000617726193 365734259 /nfs/dbraw/zinc/73/42/59/365734259.db2.gz UCNOVRHXUXUFKX-GUTXKFCHSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](C)CO1 ZINC000617726351 365736083 /nfs/dbraw/zinc/73/60/83/365736083.db2.gz VVDOZDTUCXZAFG-XQLPTFJDSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](C)CO1 ZINC000617726351 365736086 /nfs/dbraw/zinc/73/60/86/365736086.db2.gz VVDOZDTUCXZAFG-XQLPTFJDSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H](C)CO1 ZINC000617726351 365736090 /nfs/dbraw/zinc/73/60/90/365736090.db2.gz VVDOZDTUCXZAFG-XQLPTFJDSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](C)CO1 ZINC000617726351 365736092 /nfs/dbraw/zinc/73/60/92/365736092.db2.gz VVDOZDTUCXZAFG-XQLPTFJDSA-N 2 2 297.443 0.942 20 0 CCADLP CC1CC[NH+](CC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)CC1 ZINC000617731254 365740203 /nfs/dbraw/zinc/74/02/03/365740203.db2.gz XLXDKLIIRGCSRS-HUUCEWRRSA-N 2 2 297.443 0.944 20 0 CCADLP CC1CC[NH+](CC(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)CC1 ZINC000617731254 365740209 /nfs/dbraw/zinc/74/02/09/365740209.db2.gz XLXDKLIIRGCSRS-HUUCEWRRSA-N 2 2 297.443 0.944 20 0 CCADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)OC)CC1 ZINC000601296752 362207732 /nfs/dbraw/zinc/20/77/32/362207732.db2.gz ZCNSNPVWWFLLAQ-QWRGUYRKSA-N 2 2 285.388 0.127 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)C2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000617732978 365743965 /nfs/dbraw/zinc/74/39/65/365743965.db2.gz LTPUDMIEQZSFTD-STQMWFEESA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)C2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000617732978 365743973 /nfs/dbraw/zinc/74/39/73/365743973.db2.gz LTPUDMIEQZSFTD-STQMWFEESA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCC(=O)NC(=O)NCC(F)(F)F ZINC000601329835 362226890 /nfs/dbraw/zinc/22/68/90/362226890.db2.gz MXUVWKQTJWMRRY-HTQZYQBOSA-N 2 2 296.293 0.186 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCC(=O)NC(=O)NCC(F)(F)F ZINC000601329835 362226896 /nfs/dbraw/zinc/22/68/96/362226896.db2.gz MXUVWKQTJWMRRY-HTQZYQBOSA-N 2 2 296.293 0.186 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601333143 362229345 /nfs/dbraw/zinc/22/93/45/362229345.db2.gz BCWKRGBHXNCSKP-TUAOUCFPSA-N 2 2 282.388 0.295 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601333143 362229349 /nfs/dbraw/zinc/22/93/49/362229349.db2.gz BCWKRGBHXNCSKP-TUAOUCFPSA-N 2 2 282.388 0.295 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)CCn2cc[nH+]c2)[C@@H](C)CO1 ZINC000617734037 365745206 /nfs/dbraw/zinc/74/52/06/365745206.db2.gz ZKKZNJOGCAPBSW-STQMWFEESA-N 2 2 280.372 0.499 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)CCn2cc[nH+]c2)[C@@H](C)CO1 ZINC000617734037 365745214 /nfs/dbraw/zinc/74/52/14/365745214.db2.gz ZKKZNJOGCAPBSW-STQMWFEESA-N 2 2 280.372 0.499 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH+]1C[C@H](C)OC[C@@H]1C ZINC000617734065 365746515 /nfs/dbraw/zinc/74/65/15/365746515.db2.gz ZQONHSCOKKMIHY-STQMWFEESA-N 2 2 271.405 0.554 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH+]1C[C@H](C)OC[C@@H]1C ZINC000617734065 365746520 /nfs/dbraw/zinc/74/65/20/365746520.db2.gz ZQONHSCOKKMIHY-STQMWFEESA-N 2 2 271.405 0.554 20 0 CCADLP CCC[NH+](C)CC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000617734065 365746525 /nfs/dbraw/zinc/74/65/25/365746525.db2.gz ZQONHSCOKKMIHY-STQMWFEESA-N 2 2 271.405 0.554 20 0 CCADLP CCC[NH+](C)CC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000617734065 365746533 /nfs/dbraw/zinc/74/65/33/365746533.db2.gz ZQONHSCOKKMIHY-STQMWFEESA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@@](C)(OC)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617763998 365767044 /nfs/dbraw/zinc/76/70/44/365767044.db2.gz FFZWZYSLNVHQTL-CQSZACIVSA-N 2 2 273.421 0.801 20 0 CCADLP CC[C@@](C)(OC)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617763998 365767047 /nfs/dbraw/zinc/76/70/47/365767047.db2.gz FFZWZYSLNVHQTL-CQSZACIVSA-N 2 2 273.421 0.801 20 0 CCADLP C[C@@H]1C[C@H](C)[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)O1 ZINC000617764164 365768831 /nfs/dbraw/zinc/76/88/31/365768831.db2.gz LGHKTKGESWGGGM-MJBXVCDLSA-N 2 2 285.432 0.800 20 0 CCADLP C[C@@H]1C[C@H](C)[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)O1 ZINC000617764164 365768839 /nfs/dbraw/zinc/76/88/39/365768839.db2.gz LGHKTKGESWGGGM-MJBXVCDLSA-N 2 2 285.432 0.800 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)CCO1 ZINC000617765158 365768881 /nfs/dbraw/zinc/76/88/81/365768881.db2.gz VWUAMUCYKNBMRR-KBPBESRZSA-N 2 2 285.432 0.801 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCO1 ZINC000617765158 365768887 /nfs/dbraw/zinc/76/88/87/365768887.db2.gz VWUAMUCYKNBMRR-KBPBESRZSA-N 2 2 285.432 0.801 20 0 CCADLP Cc1[nH]nc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1C ZINC000617766630 365773846 /nfs/dbraw/zinc/77/38/46/365773846.db2.gz RTFPPLRRNPATEP-UHFFFAOYSA-N 2 2 281.404 0.640 20 0 CCADLP Cc1[nH]nc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1C ZINC000617766630 365773851 /nfs/dbraw/zinc/77/38/51/365773851.db2.gz RTFPPLRRNPATEP-UHFFFAOYSA-N 2 2 281.404 0.640 20 0 CCADLP CCCn1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000617765487 365771650 /nfs/dbraw/zinc/77/16/50/365771650.db2.gz CNVRNVTXBQEZSF-UHFFFAOYSA-N 2 2 296.419 0.301 20 0 CCADLP CCCn1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000617765487 365771654 /nfs/dbraw/zinc/77/16/54/365771654.db2.gz CNVRNVTXBQEZSF-UHFFFAOYSA-N 2 2 296.419 0.301 20 0 CCADLP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000423860309 529782942 /nfs/dbraw/zinc/78/29/42/529782942.db2.gz AJMQEDIBTPXSIV-LSDHHAIUSA-N 2 2 295.427 0.555 20 0 CCADLP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000423860309 529782943 /nfs/dbraw/zinc/78/29/43/529782943.db2.gz AJMQEDIBTPXSIV-LSDHHAIUSA-N 2 2 295.427 0.555 20 0 CCADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@@]3(C)CCCC[NH2+]3)C[C@@H]21 ZINC000423933771 529784716 /nfs/dbraw/zinc/78/47/16/529784716.db2.gz SPTXSLKLTUBLMT-GZBFAFLISA-N 2 2 281.400 0.450 20 0 CCADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@@]3(C)CCCC[NH2+]3)C[C@@H]21 ZINC000423933771 529784717 /nfs/dbraw/zinc/78/47/17/529784717.db2.gz SPTXSLKLTUBLMT-GZBFAFLISA-N 2 2 281.400 0.450 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000423753299 529789900 /nfs/dbraw/zinc/78/99/00/529789900.db2.gz XFABAOXOKBDJNF-BZPMIXESSA-N 2 2 269.389 0.341 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000423753299 529789902 /nfs/dbraw/zinc/78/99/02/529789902.db2.gz XFABAOXOKBDJNF-BZPMIXESSA-N 2 2 269.389 0.341 20 0 CCADLP CN(C)c1[nH+]cc(CN2CC[NH+](C3CC3)CC2)n1C ZINC000425319290 529807323 /nfs/dbraw/zinc/80/73/23/529807323.db2.gz ASJSIZAIFUSSHZ-UHFFFAOYSA-N 2 2 263.389 0.766 20 0 CCADLP C[N@@H+]1CC[C@]2(CCN(C(=O)/C=C/c3[nH]cc[nH+]3)C2)C1 ZINC000493727930 529810421 /nfs/dbraw/zinc/81/04/21/529810421.db2.gz QWHHBPPLKILVLN-HSWBROFVSA-N 2 2 260.341 0.977 20 0 CCADLP C[N@H+]1CC[C@]2(CCN(C(=O)/C=C/c3[nH]cc[nH+]3)C2)C1 ZINC000493727930 529810423 /nfs/dbraw/zinc/81/04/23/529810423.db2.gz QWHHBPPLKILVLN-HSWBROFVSA-N 2 2 260.341 0.977 20 0 CCADLP CN(C)c1nccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)n1 ZINC000427145905 529812663 /nfs/dbraw/zinc/81/26/63/529812663.db2.gz UAXWZNVICZTDFG-WCQYABFASA-N 2 2 261.373 0.726 20 0 CCADLP CN(C)c1nccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)n1 ZINC000427145905 529812664 /nfs/dbraw/zinc/81/26/64/529812664.db2.gz UAXWZNVICZTDFG-WCQYABFASA-N 2 2 261.373 0.726 20 0 CCADLP CN1C[C@H](C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)OC1=O ZINC000495733960 529825883 /nfs/dbraw/zinc/82/58/83/529825883.db2.gz YSPXHGMMKPQOON-OCCSQVGLSA-N 2 2 267.373 0.855 20 0 CCADLP CN1C[C@H](C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)OC1=O ZINC000495733960 529825884 /nfs/dbraw/zinc/82/58/84/529825884.db2.gz YSPXHGMMKPQOON-OCCSQVGLSA-N 2 2 267.373 0.855 20 0 CCADLP CN1C[C@H](C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)OC1=O ZINC000495733960 529825885 /nfs/dbraw/zinc/82/58/85/529825885.db2.gz YSPXHGMMKPQOON-OCCSQVGLSA-N 2 2 267.373 0.855 20 0 CCADLP CN1C[C@H](C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)OC1=O ZINC000495733960 529825886 /nfs/dbraw/zinc/82/58/86/529825886.db2.gz YSPXHGMMKPQOON-OCCSQVGLSA-N 2 2 267.373 0.855 20 0 CCADLP CN1C[C@@H](C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)OC1=O ZINC000495654877 529817560 /nfs/dbraw/zinc/81/75/60/529817560.db2.gz VHJOZJBEHUJGJX-STQMWFEESA-N 2 2 283.372 0.091 20 0 CCADLP CN1C[C@@H](C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)OC1=O ZINC000495654877 529817561 /nfs/dbraw/zinc/81/75/61/529817561.db2.gz VHJOZJBEHUJGJX-STQMWFEESA-N 2 2 283.372 0.091 20 0 CCADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCC[NH+]1CCOCC1 ZINC000115779463 349860391 /nfs/dbraw/zinc/86/03/91/349860391.db2.gz YKQSHBUQXKRQPZ-CQSZACIVSA-N 2 2 298.431 0.302 20 0 CCADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCC[NH+]1CCOCC1 ZINC000115779463 349860392 /nfs/dbraw/zinc/86/03/92/349860392.db2.gz YKQSHBUQXKRQPZ-CQSZACIVSA-N 2 2 298.431 0.302 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000431065674 529979639 /nfs/dbraw/zinc/97/96/39/529979639.db2.gz OVYCBXORDDLKBV-LLVKDONJSA-N 2 2 250.346 0.902 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCC[NH+](C)C1 ZINC000180507410 282345872 /nfs/dbraw/zinc/34/58/72/282345872.db2.gz AGWGIHFZMXAERR-CQSZACIVSA-N 3 2 282.432 0.034 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCC[NH+](C)C1 ZINC000180507410 282345880 /nfs/dbraw/zinc/34/58/80/282345880.db2.gz AGWGIHFZMXAERR-CQSZACIVSA-N 3 2 282.432 0.034 20 0 CCADLP C[NH+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000180507410 282345883 /nfs/dbraw/zinc/34/58/83/282345883.db2.gz AGWGIHFZMXAERR-CQSZACIVSA-N 3 2 282.432 0.034 20 0 CCADLP C[NH+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000180507410 282345888 /nfs/dbraw/zinc/34/58/88/282345888.db2.gz AGWGIHFZMXAERR-CQSZACIVSA-N 3 2 282.432 0.034 20 0 CCADLP COC(=O)C(C)(C)[NH+]1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000602021620 362460982 /nfs/dbraw/zinc/46/09/82/362460982.db2.gz QLQPWTOGEKOGEM-UHFFFAOYSA-N 2 2 281.400 0.308 20 0 CCADLP COCCC(=O)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000355662133 232045493 /nfs/dbraw/zinc/04/54/93/232045493.db2.gz BFPOLNIDZWPZRK-UHFFFAOYSA-N 2 2 280.372 0.454 20 0 CCADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cncc(F)c1 ZINC000358254267 232070795 /nfs/dbraw/zinc/07/07/95/232070795.db2.gz PISMNGICXREBTL-GXFFZTMASA-N 2 2 253.321 0.938 20 0 CCADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cncc(F)c1 ZINC000358254267 232070798 /nfs/dbraw/zinc/07/07/98/232070798.db2.gz PISMNGICXREBTL-GXFFZTMASA-N 2 2 253.321 0.938 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc[nH]c3)C2)CC1 ZINC000602196857 362552875 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/nfs/dbraw/zinc/21/10/60/137211060.db2.gz PFVDWNZNBBLOPH-UHFFFAOYSA-N 2 2 273.446 0.834 20 0 CCADLP CSCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000344748117 137211061 /nfs/dbraw/zinc/21/10/61/137211061.db2.gz PFVDWNZNBBLOPH-UHFFFAOYSA-N 2 2 273.446 0.834 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@]1([NH+](C)C)CCSC1 ZINC000344760958 137211936 /nfs/dbraw/zinc/21/19/36/137211936.db2.gz BWVWTGPSOKVSSV-FRRDWIJNSA-N 2 2 257.447 0.963 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@]1([NH+](C)C)CCSC1 ZINC000344760958 137211937 /nfs/dbraw/zinc/21/19/37/137211937.db2.gz BWVWTGPSOKVSSV-FRRDWIJNSA-N 2 2 257.447 0.963 20 0 CCADLP COC(=O)CN1CCC([NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000344699901 137208358 /nfs/dbraw/zinc/20/83/58/137208358.db2.gz AVKVEHIXDFJRQT-TZMCWYRMSA-N 2 2 283.416 0.696 20 0 CCADLP COC(=O)CN1CCC([NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000344699901 137208359 /nfs/dbraw/zinc/20/83/59/137208359.db2.gz AVKVEHIXDFJRQT-TZMCWYRMSA-N 2 2 283.416 0.696 20 0 CCADLP CCC[C@H]([NH3+])C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000036872838 348174061 /nfs/dbraw/zinc/17/40/61/348174061.db2.gz QSTHDVWBIPWGKH-LBPRGKRZSA-N 2 2 262.357 0.858 20 0 CCADLP O=C([C@H]1CCC[NH2+]C1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000037800349 348205844 /nfs/dbraw/zinc/20/58/44/348205844.db2.gz USSCRDHOELMGOO-HNNXBMFYSA-N 2 2 288.395 0.725 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000037822996 348211571 /nfs/dbraw/zinc/21/15/71/348211571.db2.gz QVYCBCZXSZRINO-CYBMUJFWSA-N 2 2 272.352 0.949 20 0 CCADLP CC(C)[NH2+]CCC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000040805265 348242729 /nfs/dbraw/zinc/24/27/29/348242729.db2.gz WCVOKVYCEFXNHZ-UHFFFAOYSA-N 2 2 271.405 0.602 20 0 CCADLP C[C@H]([NH3+])C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000040855862 348244979 /nfs/dbraw/zinc/24/49/79/348244979.db2.gz JSFHHHBBUYNXJM-JQWIXIFHSA-N 2 2 258.325 0.973 20 0 CCADLP C[C@H](CNC(=O)[C@H]([NH3+])CC(F)F)Cn1cc[nH+]c1 ZINC000345688520 137245986 /nfs/dbraw/zinc/24/59/86/137245986.db2.gz IVBPUGMKTCRHPG-RKDXNWHRSA-N 2 2 260.288 0.618 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@H]([NH3+])CC(F)F ZINC000345732093 137249231 /nfs/dbraw/zinc/24/92/31/137249231.db2.gz ZORBRHSUJVCSPS-SECBINFHSA-N 2 2 272.299 0.746 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000346274298 137276551 /nfs/dbraw/zinc/27/65/51/137276551.db2.gz PXBJBBPKZXEYNI-JHJVBQTASA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000346274298 137276552 /nfs/dbraw/zinc/27/65/52/137276552.db2.gz PXBJBBPKZXEYNI-JHJVBQTASA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)[C@@H]1CCCO1 ZINC000346560915 137293301 /nfs/dbraw/zinc/29/33/01/137293301.db2.gz PLBKIJSBNIVTGR-HOTGVXAUSA-N 2 2 299.459 0.534 20 0 CCADLP CN(C)C(=O)COc1ccccc1C[N@@H+]1CCC[NH2+]CC1 ZINC000346681314 137299044 /nfs/dbraw/zinc/29/90/44/137299044.db2.gz DGFROKHIUQFXJH-UHFFFAOYSA-N 2 2 291.395 0.949 20 0 CCADLP CN(C)C(=O)COc1ccccc1C[N@H+]1CCC[NH2+]CC1 ZINC000346681314 137299045 /nfs/dbraw/zinc/29/90/45/137299045.db2.gz DGFROKHIUQFXJH-UHFFFAOYSA-N 2 2 291.395 0.949 20 0 CCADLP CC[N@H+](C[C@@H]1CCC[NH2+]C1)[C@H](C)CS(C)(=O)=O ZINC000346992769 137314729 /nfs/dbraw/zinc/31/47/29/137314729.db2.gz TXUJVJBQGIMDMA-VXGBXAGGSA-N 2 2 262.419 0.741 20 0 CCADLP CC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H](C)CS(C)(=O)=O ZINC000346992769 137314730 /nfs/dbraw/zinc/31/47/30/137314730.db2.gz TXUJVJBQGIMDMA-VXGBXAGGSA-N 2 2 262.419 0.741 20 0 CCADLP COc1ccsc1C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000347038082 137316694 /nfs/dbraw/zinc/31/66/94/137316694.db2.gz ICWFJPSZJITZCL-UHFFFAOYSA-N 2 2 283.397 0.620 20 0 CCADLP COc1ccsc1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000347038082 137316695 /nfs/dbraw/zinc/31/66/95/137316695.db2.gz ICWFJPSZJITZCL-UHFFFAOYSA-N 2 2 283.397 0.620 20 0 CCADLP O=C(NCCCCn1cc[nH+]c1)[C@H]1CCCC[NH2+]1 ZINC000045109157 348333896 /nfs/dbraw/zinc/33/38/96/348333896.db2.gz HPYNUSDPNZANAE-GFCCVEGCSA-N 2 2 250.346 0.922 20 0 CCADLP Cc1ncc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c(=O)[nH]1 ZINC000346807801 137305597 /nfs/dbraw/zinc/30/55/97/137305597.db2.gz MJEJBOHZSBWVPY-SKDRFNHKSA-N 2 2 250.346 0.920 20 0 CCADLP Cc1ncc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c(=O)[nH]1 ZINC000346807801 137305598 /nfs/dbraw/zinc/30/55/98/137305598.db2.gz MJEJBOHZSBWVPY-SKDRFNHKSA-N 2 2 250.346 0.920 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cn1C ZINC000347914354 137363903 /nfs/dbraw/zinc/36/39/03/137363903.db2.gz XNXPZTWHMOPJBX-LBPRGKRZSA-N 2 2 265.357 0.996 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cn1C ZINC000347914354 137363904 /nfs/dbraw/zinc/36/39/04/137363904.db2.gz XNXPZTWHMOPJBX-LBPRGKRZSA-N 2 2 265.357 0.996 20 0 CCADLP CO[C@H]1C[C@H](C[NH+]2CCCC2)N(CC[NH+]2CCOCC2)C1 ZINC000348023062 137369546 /nfs/dbraw/zinc/36/95/46/137369546.db2.gz UXFIGUYNRPZJRG-CVEARBPZSA-N 2 2 297.443 0.504 20 0 CCADLP CS(=O)(=O)CC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051957123 348501162 /nfs/dbraw/zinc/50/11/62/348501162.db2.gz BFYVCSOZJKROKJ-UHFFFAOYSA-N 2 2 290.429 0.075 20 0 CCADLP CC[C@@]1(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC[NH2+]C1 ZINC000062891873 348671205 /nfs/dbraw/zinc/67/12/05/348671205.db2.gz NWNKILXHSMQWJN-GXTWGEPZSA-N 2 2 269.389 0.213 20 0 CCADLP CC1CC[NH+](C[C@@H](O)CNCc2[nH]cc[nH+]2)CC1 ZINC000067122379 348766495 /nfs/dbraw/zinc/76/64/95/348766495.db2.gz CFIDDCRUUNSAHD-LBPRGKRZSA-N 2 2 252.362 0.592 20 0 CCADLP COc1ccc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1O ZINC000068800694 348822839 /nfs/dbraw/zinc/82/28/39/348822839.db2.gz DXUUQQURBXLZTA-CYBMUJFWSA-N 2 2 279.384 0.736 20 0 CCADLP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1O ZINC000068800694 348822842 /nfs/dbraw/zinc/82/28/42/348822842.db2.gz DXUUQQURBXLZTA-CYBMUJFWSA-N 2 2 279.384 0.736 20 0 CCADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCS(=O)(=O)C2)C1 ZINC000069137555 348833708 /nfs/dbraw/zinc/83/37/08/348833708.db2.gz VPRKDWLZBHDMBF-VXGBXAGGSA-N 2 2 260.403 0.495 20 0 CCADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCS(=O)(=O)C2)C1 ZINC000069137555 348833711 /nfs/dbraw/zinc/83/37/11/348833711.db2.gz VPRKDWLZBHDMBF-VXGBXAGGSA-N 2 2 260.403 0.495 20 0 CCADLP [NH3+]C[C@H]1c2ccccc2CCN1CC[NH+]1CCOCC1 ZINC000069311942 348840611 /nfs/dbraw/zinc/84/06/11/348840611.db2.gz GAXVNPFTROBPGE-INIZCTEOSA-N 2 2 275.396 0.877 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cnc(N(C)C)n1C ZINC000070143528 348873359 /nfs/dbraw/zinc/87/33/59/348873359.db2.gz FWVHKGIVEJRVQS-LLVKDONJSA-N 2 2 262.361 0.861 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000070149794 348873517 /nfs/dbraw/zinc/87/35/17/348873517.db2.gz XJJYIDDKLKLDJI-JTQLQIEISA-N 2 2 256.350 0.035 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000070149794 348873518 /nfs/dbraw/zinc/87/35/18/348873518.db2.gz XJJYIDDKLKLDJI-JTQLQIEISA-N 2 2 256.350 0.035 20 0 CCADLP [NH3+]CC[C@H]1CCCC[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC000070149676 348873600 /nfs/dbraw/zinc/87/36/00/348873600.db2.gz DPJFCFSEXMCVAT-LLVKDONJSA-N 2 2 268.361 0.178 20 0 CCADLP [NH3+]CC[C@H]1CCCC[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC000070149676 348873603 /nfs/dbraw/zinc/87/36/03/348873603.db2.gz DPJFCFSEXMCVAT-LLVKDONJSA-N 2 2 268.361 0.178 20 0 CCADLP [NH3+]CCCCC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000070203454 348879219 /nfs/dbraw/zinc/87/92/19/348879219.db2.gz BMCBTGBGCYGXCX-UHFFFAOYSA-N 2 2 292.383 0.663 20 0 CCADLP C[C@H]([NH3+])CCC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000070316356 348884910 /nfs/dbraw/zinc/88/49/10/348884910.db2.gz YLMMVBDZNSUCIL-ZDUSSCGKSA-N 2 2 276.384 0.853 20 0 CCADLP C[C@@H]([NH3+])CCC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000070318097 348885345 /nfs/dbraw/zinc/88/53/45/348885345.db2.gz LAVFOKKUCULVEC-NEPJUHHUSA-N 2 2 255.362 0.047 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH+]1CCCC1 ZINC000072987569 348940585 /nfs/dbraw/zinc/94/05/85/348940585.db2.gz ZYHKTSHNHSRZKN-LBPRGKRZSA-N 2 2 250.346 0.731 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NCCCCn2cc[nH+]c2C)C1 ZINC000073958399 348966469 /nfs/dbraw/zinc/96/64/69/348966469.db2.gz UTMQLCBLKBJNDK-AWEZNQCLSA-N 2 2 294.399 0.809 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NCCCCn2cc[nH+]c2C)C1 ZINC000073958399 348966472 /nfs/dbraw/zinc/96/64/72/348966472.db2.gz UTMQLCBLKBJNDK-AWEZNQCLSA-N 2 2 294.399 0.809 20 0 CCADLP CC[NH+](CC)[C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000076058722 349067536 /nfs/dbraw/zinc/06/75/36/349067536.db2.gz BYEUJSFVYNFBOA-CQSZACIVSA-N 2 2 255.406 0.735 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000078524739 349141572 /nfs/dbraw/zinc/14/15/72/349141572.db2.gz PGYZARHOCIRSPX-GFCCVEGCSA-N 2 2 279.388 0.436 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)CN2C[C@@H](C)[NH+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000339620040 215272714 /nfs/dbraw/zinc/27/27/14/215272714.db2.gz SDKXHTOMZIVCSQ-DGADGQDISA-N 2 2 299.459 0.481 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)CN2C[C@@H](C)[NH+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000339620040 215272716 /nfs/dbraw/zinc/27/27/16/215272716.db2.gz SDKXHTOMZIVCSQ-DGADGQDISA-N 2 2 299.459 0.481 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000339620040 215272718 /nfs/dbraw/zinc/27/27/18/215272718.db2.gz SDKXHTOMZIVCSQ-DGADGQDISA-N 2 2 299.459 0.481 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000339620040 215272720 /nfs/dbraw/zinc/27/27/20/215272720.db2.gz SDKXHTOMZIVCSQ-DGADGQDISA-N 2 2 299.459 0.481 20 0 CCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000080654353 349224597 /nfs/dbraw/zinc/22/45/97/349224597.db2.gz OZSRLYPLFWHYDV-CQSZACIVSA-N 2 2 298.431 0.444 20 0 CCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)c1cc[nH+]cc1Cl ZINC000081015187 349239923 /nfs/dbraw/zinc/23/99/23/349239923.db2.gz FUAUDMFYNFUPRR-LLVKDONJSA-N 2 2 285.775 0.864 20 0 CCADLP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080984813 349237612 /nfs/dbraw/zinc/23/76/12/349237612.db2.gz WHUICKYJZZMNOV-SNVBAGLBSA-N 2 2 279.344 0.435 20 0 CCADLP CNC(=O)NC(=O)CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080984813 349237615 /nfs/dbraw/zinc/23/76/15/349237615.db2.gz WHUICKYJZZMNOV-SNVBAGLBSA-N 2 2 279.344 0.435 20 0 CCADLP Cc1cc(N(C)C[C@@H](O)C[NH+]2CCOCC2)nc(C)[nH+]1 ZINC000081015091 349240688 /nfs/dbraw/zinc/24/06/88/349240688.db2.gz OUZWDAYKBLBVSA-CYBMUJFWSA-N 2 2 280.372 0.223 20 0 CCADLP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1COCC[NH2+]1 ZINC000088358737 349361718 /nfs/dbraw/zinc/36/17/18/349361718.db2.gz RSPQGHYQSFFJGV-GJZGRUSLSA-N 2 2 289.379 0.366 20 0 CCADLP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1COCC[NH2+]1 ZINC000088358737 349361721 /nfs/dbraw/zinc/36/17/21/349361721.db2.gz RSPQGHYQSFFJGV-GJZGRUSLSA-N 2 2 289.379 0.366 20 0 CCADLP Cc1c(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cnn1C ZINC000120977501 350016236 /nfs/dbraw/zinc/01/62/36/350016236.db2.gz CGTCOWGCEVMAFM-UHFFFAOYSA-N 2 2 291.443 0.942 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CCC(C)(C)O)CC1 ZINC000089926874 349412627 /nfs/dbraw/zinc/41/26/27/349412627.db2.gz KQBSDKCLLVQNGP-UHFFFAOYSA-N 2 2 252.362 0.703 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000122612065 350066455 /nfs/dbraw/zinc/06/64/55/350066455.db2.gz RKYJJHIVVGVRQU-ZDUSSCGKSA-N 2 2 265.332 0.470 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000122612065 350066457 /nfs/dbraw/zinc/06/64/57/350066457.db2.gz RKYJJHIVVGVRQU-ZDUSSCGKSA-N 2 2 265.332 0.470 20 0 CCADLP CC1CCN(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1 ZINC000122671620 350067759 /nfs/dbraw/zinc/06/77/59/350067759.db2.gz XCOKICFTESYVJN-GFCCVEGCSA-N 2 2 254.378 0.413 20 0 CCADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NC(=O)NC(C)(C)C ZINC000124587988 350102454 /nfs/dbraw/zinc/10/24/54/350102454.db2.gz IMWXFOPXEQQDLK-VHSXEESVSA-N 2 2 270.377 0.422 20 0 CCADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NC(=O)NC(C)(C)C ZINC000124587988 350102455 /nfs/dbraw/zinc/10/24/55/350102455.db2.gz IMWXFOPXEQQDLK-VHSXEESVSA-N 2 2 270.377 0.422 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCOc3ccccc32)[C@@H](C[NH3+])C1 ZINC000124330917 350095345 /nfs/dbraw/zinc/09/53/45/350095345.db2.gz HOVHAJLBNIAKIJ-GXTWGEPZSA-N 2 2 289.379 0.654 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2CCOc3ccccc32)[C@@H](C[NH3+])C1 ZINC000124330917 350095348 /nfs/dbraw/zinc/09/53/48/350095348.db2.gz HOVHAJLBNIAKIJ-GXTWGEPZSA-N 2 2 289.379 0.654 20 0 CCADLP [NH3+]Cc1nc(C(=O)NCCC[NH+]2CCOCC2)cs1 ZINC000090930182 180063950 /nfs/dbraw/zinc/06/39/50/180063950.db2.gz XXIRKJMCMPRBLP-UHFFFAOYSA-N 2 2 284.385 0.054 20 0 CCADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCNC(=O)[C@H]1C ZINC000125496618 350123206 /nfs/dbraw/zinc/12/32/06/350123206.db2.gz DFGFATYEJQEDNA-LLVKDONJSA-N 2 2 250.346 0.792 20 0 CCADLP Cc1[nH+]ccn1CCCC[N@H+]1CCNC(=O)[C@H]1C ZINC000125496618 350123209 /nfs/dbraw/zinc/12/32/09/350123209.db2.gz DFGFATYEJQEDNA-LLVKDONJSA-N 2 2 250.346 0.792 20 0 CCADLP [NH3+]Cc1nc(C(=O)N2CC[NH+](C3CC3)CC2)cs1 ZINC000090931178 180064752 /nfs/dbraw/zinc/06/47/52/180064752.db2.gz BCYTUVLPMGESMK-UHFFFAOYSA-N 2 2 266.370 0.522 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCNC(=O)C2CC2)C[N@@H+]1C1CC1 ZINC000128345650 350190510 /nfs/dbraw/zinc/19/05/10/350190510.db2.gz SUHZIQZHBJDNRF-CMPLNLGQSA-N 2 2 251.374 0.727 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCNC(=O)C2CC2)C[N@H+]1C1CC1 ZINC000128345650 350190514 /nfs/dbraw/zinc/19/05/14/350190514.db2.gz SUHZIQZHBJDNRF-CMPLNLGQSA-N 2 2 251.374 0.727 20 0 CCADLP C[C@H](O)[C@H]1CCN(c2cc(N(C)CC[NH+](C)C)nc[nH+]2)C1 ZINC000413190332 233373405 /nfs/dbraw/zinc/37/34/05/233373405.db2.gz ZYMPEFNZRMVQRJ-STQMWFEESA-N 2 2 293.415 0.682 20 0 CCADLP CC[N@H+](C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000132430122 350307871 /nfs/dbraw/zinc/30/78/71/350307871.db2.gz NCVIJTQTEVTRTQ-LLVKDONJSA-N 2 2 250.346 0.513 20 0 CCADLP CC[N@@H+](C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000132430122 350307873 /nfs/dbraw/zinc/30/78/73/350307873.db2.gz NCVIJTQTEVTRTQ-LLVKDONJSA-N 2 2 250.346 0.513 20 0 CCADLP CN(C)c1nc(N2CCN(Cc3[nH]cc[nH+]3)CC2)cc[nH+]1 ZINC000134118798 350355058 /nfs/dbraw/zinc/35/50/58/350355058.db2.gz GXKOQNWRXGBKOB-UHFFFAOYSA-N 2 2 287.371 0.588 20 0 CCADLP COc1c(N)[nH+]cnc1N1CCC[C@@H]([NH+](C)C)C1 ZINC000134913344 350379426 /nfs/dbraw/zinc/37/94/26/350379426.db2.gz DBWGJXKRUHQARF-SECBINFHSA-N 2 2 251.334 0.598 20 0 CCADLP CN(C)C(=O)N1CCC([NH2+]CC[NH+]2CCCC2)CC1 ZINC000135119288 350385956 /nfs/dbraw/zinc/38/59/56/350385956.db2.gz MDCVGIWVZUJBMB-UHFFFAOYSA-N 2 2 268.405 0.818 20 0 CCADLP C[C@@H](C(=O)NCCn1cc[nH+]c1)[NH+]1CCSCC1 ZINC000151438090 350501131 /nfs/dbraw/zinc/50/11/31/350501131.db2.gz AURGZIXNGQOCDJ-NSHDSACASA-N 2 2 268.386 0.437 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000152559275 350533130 /nfs/dbraw/zinc/53/31/30/350533130.db2.gz HVTJXAORSIUYFN-VXGBXAGGSA-N 2 2 262.357 0.656 20 0 CCADLP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000152559275 350533133 /nfs/dbraw/zinc/53/31/33/350533133.db2.gz HVTJXAORSIUYFN-VXGBXAGGSA-N 2 2 262.357 0.656 20 0 CCADLP CC[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107575984 186180054 /nfs/dbraw/zinc/18/00/54/186180054.db2.gz XNDWDCYMROXTAC-HZSPNIEDSA-N 2 2 265.401 0.929 20 0 CCADLP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107575984 186180055 /nfs/dbraw/zinc/18/00/55/186180055.db2.gz XNDWDCYMROXTAC-HZSPNIEDSA-N 2 2 265.401 0.929 20 0 CCADLP CC[N@H+](CC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)C1CC1 ZINC000152248608 350523579 /nfs/dbraw/zinc/52/35/79/350523579.db2.gz VWVCJHVXRNJJMH-CHWSQXEVSA-N 2 2 283.416 0.696 20 0 CCADLP CC[N@@H+](CC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)C1CC1 ZINC000152248608 350523580 /nfs/dbraw/zinc/52/35/80/350523580.db2.gz VWVCJHVXRNJJMH-CHWSQXEVSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H](C(=O)N(C)[C@H]1CCC[N@H+](C)C1)[NH+]1CCSCC1 ZINC000152983542 350548801 /nfs/dbraw/zinc/54/88/01/350548801.db2.gz MGPZYLWHAMDNBR-STQMWFEESA-N 2 2 285.457 0.976 20 0 CCADLP C[C@@H](C(=O)N(C)[C@H]1CCC[N@@H+](C)C1)[NH+]1CCSCC1 ZINC000152983542 350548803 /nfs/dbraw/zinc/54/88/03/350548803.db2.gz MGPZYLWHAMDNBR-STQMWFEESA-N 2 2 285.457 0.976 20 0 CCADLP Cc1ncc([C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C)c(C)n1 ZINC000154290980 350581721 /nfs/dbraw/zinc/58/17/21/350581721.db2.gz FCNWKISRGZPQQD-SKDRFNHKSA-N 2 2 252.362 0.667 20 0 CCADLP Cc1noc(C)c1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000109463975 186254391 /nfs/dbraw/zinc/25/43/91/186254391.db2.gz KTTXLHOARPRWFQ-LBPRGKRZSA-N 2 2 253.346 0.838 20 0 CCADLP C[C@@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000156483014 350630794 /nfs/dbraw/zinc/63/07/94/350630794.db2.gz YTHHGIUVJFIRNK-UPJWGTAASA-N 2 2 262.357 0.997 20 0 CCADLP C[C@@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000156483014 350630798 /nfs/dbraw/zinc/63/07/98/350630798.db2.gz YTHHGIUVJFIRNK-UPJWGTAASA-N 2 2 262.357 0.997 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC000110923241 186333771 /nfs/dbraw/zinc/33/37/71/186333771.db2.gz UWNIKDYNVUZGKP-UHFFFAOYSA-N 2 2 271.405 0.507 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC000110923241 186333772 /nfs/dbraw/zinc/33/37/72/186333772.db2.gz UWNIKDYNVUZGKP-UHFFFAOYSA-N 2 2 271.405 0.507 20 0 CCADLP COc1cccc([C@@H](C)C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000162305195 350740814 /nfs/dbraw/zinc/74/08/14/350740814.db2.gz IEEQGUJIVZWMNH-OCCSQVGLSA-N 2 2 291.395 0.900 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCOCc2ccccc2)[C@@H](C[NH3+])C1 ZINC000162326817 350741668 /nfs/dbraw/zinc/74/16/68/350741668.db2.gz QUALUCLSOYMMOZ-HNNXBMFYSA-N 2 2 291.395 0.695 20 0 CCADLP C[N@H+]1CCN(C(=O)CCOCc2ccccc2)[C@@H](C[NH3+])C1 ZINC000162326817 350741671 /nfs/dbraw/zinc/74/16/71/350741671.db2.gz QUALUCLSOYMMOZ-HNNXBMFYSA-N 2 2 291.395 0.695 20 0 CCADLP C[C@H]([NH3+])C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000167968805 350817594 /nfs/dbraw/zinc/81/75/94/350817594.db2.gz LRCAWCBGSHSCLJ-GXTWGEPZSA-N 2 2 277.368 0.211 20 0 CCADLP O=C([C@H]1CSC[NH2+]1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000167400927 350809780 /nfs/dbraw/zinc/80/97/80/350809780.db2.gz UPDGPYHHHCOSFU-CHWSQXEVSA-N 2 2 299.440 0.220 20 0 CCADLP CC(C)[NH+]1CCC(C(=O)N(C)CC[NH+]2CCOCC2)CC1 ZINC000172750727 351008819 /nfs/dbraw/zinc/00/88/19/351008819.db2.gz OJLFUPRSRREUSA-UHFFFAOYSA-N 2 2 297.443 0.897 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000174630812 351096411 /nfs/dbraw/zinc/09/64/11/351096411.db2.gz CVZXVSXLVGNBIC-GFCCVEGCSA-N 2 2 278.356 0.094 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000174630812 351096414 /nfs/dbraw/zinc/09/64/14/351096414.db2.gz CVZXVSXLVGNBIC-GFCCVEGCSA-N 2 2 278.356 0.094 20 0 CCADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000177035270 351192210 /nfs/dbraw/zinc/19/22/10/351192210.db2.gz QFAQQBHIHDTZCR-CABCVRRESA-N 2 2 297.443 0.945 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000177035270 351192213 /nfs/dbraw/zinc/19/22/13/351192213.db2.gz QFAQQBHIHDTZCR-CABCVRRESA-N 2 2 297.443 0.945 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000177035270 351192215 /nfs/dbraw/zinc/19/22/15/351192215.db2.gz QFAQQBHIHDTZCR-CABCVRRESA-N 2 2 297.443 0.945 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000177035270 351192217 /nfs/dbraw/zinc/19/22/17/351192217.db2.gz QFAQQBHIHDTZCR-CABCVRRESA-N 2 2 297.443 0.945 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@H]2CCC[C@H]([NH3+])C2)CCO1 ZINC000178744271 351243881 /nfs/dbraw/zinc/24/38/81/351243881.db2.gz DZZSUVPYUGMLQE-STQMWFEESA-N 2 2 283.416 0.731 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@H]2CCC[C@H]([NH3+])C2)CCO1 ZINC000178744271 351243884 /nfs/dbraw/zinc/24/38/84/351243884.db2.gz DZZSUVPYUGMLQE-STQMWFEESA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)C[C@@H]1[NH+]1CCOCC1 ZINC000178860559 351249601 /nfs/dbraw/zinc/24/96/01/351249601.db2.gz KWHVNIDSTISHFQ-MQYQWHSLSA-N 2 2 281.400 0.293 20 0 CCADLP COCCCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177150645 351196440 /nfs/dbraw/zinc/19/64/40/351196440.db2.gz BASGQOKNQDLDSE-UHFFFAOYSA-N 2 2 271.405 0.555 20 0 CCADLP CCC(CC)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181044057 351300307 /nfs/dbraw/zinc/30/03/07/351300307.db2.gz LYFAIKBXHOJJCW-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP CC(C)C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000179424209 351267384 /nfs/dbraw/zinc/26/73/84/351267384.db2.gz SRAHMUCTJKAJEZ-ZDUSSCGKSA-N 2 2 269.389 0.165 20 0 CCADLP CCN(CCC[NH+](C)C)C(=O)NCCn1cc[nH+]c1 ZINC000188487510 351599678 /nfs/dbraw/zinc/59/96/78/351599678.db2.gz LTQLLQVPGDIAPW-UHFFFAOYSA-N 2 2 267.377 0.866 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)c1nnnn1C ZINC000189733835 351699922 /nfs/dbraw/zinc/69/99/22/351699922.db2.gz KRVZVHKXUUMDMT-JTQLQIEISA-N 2 2 263.349 0.798 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)c1nnnn1C ZINC000189733835 351699925 /nfs/dbraw/zinc/69/99/25/351699925.db2.gz KRVZVHKXUUMDMT-JTQLQIEISA-N 2 2 263.349 0.798 20 0 CCADLP C[C@@H](C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)[C@H](C)[NH3+] ZINC000192100432 351783612 /nfs/dbraw/zinc/78/36/12/351783612.db2.gz FBCAKYAOYNXGAO-FRRDWIJNSA-N 2 2 269.389 0.293 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000192095222 351783758 /nfs/dbraw/zinc/78/37/58/351783758.db2.gz KXOMWAVTXIJQKE-WDEREUQCSA-N 2 2 273.340 0.867 20 0 CCADLP CCOCC[NH+]1CCN(CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000191483941 351760201 /nfs/dbraw/zinc/76/02/01/351760201.db2.gz BXDRFBUQFORFFI-HNNXBMFYSA-N 2 2 285.432 0.361 20 0 CCADLP CCOCC[NH+]1CCN(CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000191483941 351760202 /nfs/dbraw/zinc/76/02/02/351760202.db2.gz BXDRFBUQFORFFI-HNNXBMFYSA-N 2 2 285.432 0.361 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000193269037 351819415 /nfs/dbraw/zinc/81/94/15/351819415.db2.gz NMVKIYMVZZPGNR-CQSZACIVSA-N 2 2 294.399 0.665 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000193269037 351819417 /nfs/dbraw/zinc/81/94/17/351819417.db2.gz NMVKIYMVZZPGNR-CQSZACIVSA-N 2 2 294.399 0.665 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N1CCOCC1 ZINC000193557718 351832427 /nfs/dbraw/zinc/83/24/27/351832427.db2.gz RDMKXMKCNBQKJG-UHFFFAOYSA-N 2 2 298.431 0.396 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N1CCOCC1 ZINC000193557718 351832430 /nfs/dbraw/zinc/83/24/30/351832430.db2.gz RDMKXMKCNBQKJG-UHFFFAOYSA-N 2 2 298.431 0.396 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCC(=O)Nc1cc(C)on1 ZINC000123599280 187100361 /nfs/dbraw/zinc/10/03/61/187100361.db2.gz QUKGFDSNOWVWHE-LLVKDONJSA-N 2 2 266.345 0.995 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+]1CCC(=O)Nc1cc(C)on1 ZINC000123599280 187100362 /nfs/dbraw/zinc/10/03/62/187100362.db2.gz QUKGFDSNOWVWHE-LLVKDONJSA-N 2 2 266.345 0.995 20 0 CCADLP C[N@H+]1C[C@@H]2C[NH+](Cc3cc(C(N)=O)cs3)C[C@@H]2C1 ZINC000194535590 351873888 /nfs/dbraw/zinc/87/38/88/351873888.db2.gz OTIYPKBKLSOHRU-PHIMTYICSA-N 2 2 265.382 0.840 20 0 CCADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3cc(C(N)=O)cs3)C[C@@H]2C1 ZINC000194535590 351873893 /nfs/dbraw/zinc/87/38/93/351873893.db2.gz OTIYPKBKLSOHRU-PHIMTYICSA-N 2 2 265.382 0.840 20 0 CCADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3cc(C(N)=O)cs3)C[C@@H]2C1 ZINC000194535590 351873898 /nfs/dbraw/zinc/87/38/98/351873898.db2.gz OTIYPKBKLSOHRU-PHIMTYICSA-N 2 2 265.382 0.840 20 0 CCADLP C[NH+]1C[C@@H]2C[N@H+](Cc3cc(C(N)=O)cs3)C[C@@H]2C1 ZINC000194535590 351873900 /nfs/dbraw/zinc/87/39/00/351873900.db2.gz OTIYPKBKLSOHRU-PHIMTYICSA-N 2 2 265.382 0.840 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@H]2CCc3ccccc3C2)[C@@H](C[NH3+])C1 ZINC000223563749 351987530 /nfs/dbraw/zinc/98/75/30/351987530.db2.gz MPDORLLMDFODOQ-HOTGVXAUSA-N 2 2 287.407 0.893 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]2CCc3ccccc3C2)[C@@H](C[NH3+])C1 ZINC000223563749 351987535 /nfs/dbraw/zinc/98/75/35/351987535.db2.gz MPDORLLMDFODOQ-HOTGVXAUSA-N 2 2 287.407 0.893 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COCc1ccco1 ZINC000226053328 352018507 /nfs/dbraw/zinc/01/85/07/352018507.db2.gz DOGNYFBWWVHQHI-CHWSQXEVSA-N 2 2 268.357 0.841 20 0 CCADLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COCc1ccco1 ZINC000226053328 352018511 /nfs/dbraw/zinc/01/85/11/352018511.db2.gz DOGNYFBWWVHQHI-CHWSQXEVSA-N 2 2 268.357 0.841 20 0 CCADLP COc1ccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cn1 ZINC000232163251 352141746 /nfs/dbraw/zinc/14/17/46/352141746.db2.gz NBGMRVGQYQTIMX-ZDUSSCGKSA-N 2 2 253.346 0.492 20 0 CCADLP Cc1cc(N2CCN(C(=O)C[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000236835754 352221033 /nfs/dbraw/zinc/22/10/33/352221033.db2.gz XMPKNRDOCCKRHI-UHFFFAOYSA-N 2 2 277.372 0.516 20 0 CCADLP CCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000236905755 352227144 /nfs/dbraw/zinc/22/71/44/352227144.db2.gz RETCOUCPNBTKOW-CHWSQXEVSA-N 2 2 269.389 0.437 20 0 CCADLP C[NH2+]CC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000237301777 352259644 /nfs/dbraw/zinc/25/96/44/352259644.db2.gz KZLDZDDDHACBLW-UHFFFAOYSA-N 2 2 276.384 0.592 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000237332928 352260813 /nfs/dbraw/zinc/26/08/13/352260813.db2.gz HNZRMUBRFCPONK-LBPRGKRZSA-N 2 2 292.383 0.390 20 0 CCADLP COCC[NH2+]CC(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000237205968 352252436 /nfs/dbraw/zinc/25/24/36/352252436.db2.gz BZHBFDIRDYXRSU-UHFFFAOYSA-N 2 2 276.340 0.495 20 0 CCADLP C[C@@H]1C[N@@H+](CCCNC(=O)[C@H]2CSC[NH2+]2)C[C@H](C)O1 ZINC000237671541 352278121 /nfs/dbraw/zinc/27/81/21/352278121.db2.gz BLXLWKHCNKVJDZ-GRYCIOLGSA-N 2 2 287.429 0.264 20 0 CCADLP C[C@@H]1C[N@H+](CCCNC(=O)[C@H]2CSC[NH2+]2)C[C@H](C)O1 ZINC000237671541 352278125 /nfs/dbraw/zinc/27/81/25/352278125.db2.gz BLXLWKHCNKVJDZ-GRYCIOLGSA-N 2 2 287.429 0.264 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC3)C2)CC1 ZINC000604207482 363182699 /nfs/dbraw/zinc/18/26/99/363182699.db2.gz FZVUJSQLRLVDDN-GFCCVEGCSA-N 2 2 266.389 0.570 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC3)C2)CC1 ZINC000604207482 363182707 /nfs/dbraw/zinc/18/27/07/363182707.db2.gz FZVUJSQLRLVDDN-GFCCVEGCSA-N 2 2 266.389 0.570 20 0 CCADLP CCNS(=O)(=O)[C@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245527301 352327432 /nfs/dbraw/zinc/32/74/32/352327432.db2.gz CSLJFFCESJUJEB-OLZOCXBDSA-N 2 2 289.445 0.484 20 0 CCADLP CCNS(=O)(=O)[C@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245527301 352327437 /nfs/dbraw/zinc/32/74/37/352327437.db2.gz CSLJFFCESJUJEB-OLZOCXBDSA-N 2 2 289.445 0.484 20 0 CCADLP CCNS(=O)(=O)[C@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000245527301 352327441 /nfs/dbraw/zinc/32/74/41/352327441.db2.gz CSLJFFCESJUJEB-OLZOCXBDSA-N 2 2 289.445 0.484 20 0 CCADLP CCNS(=O)(=O)[C@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000245527301 352327444 /nfs/dbraw/zinc/32/74/44/352327444.db2.gz CSLJFFCESJUJEB-OLZOCXBDSA-N 2 2 289.445 0.484 20 0 CCADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+]([C@H]2CCOC2=O)C1 ZINC000245827429 352338460 /nfs/dbraw/zinc/33/84/60/352338460.db2.gz FUSAZBGWXSBKAM-NEPJUHHUSA-N 2 2 263.341 0.990 20 0 CCADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+]([C@H]2CCOC2=O)C1 ZINC000245827429 352338464 /nfs/dbraw/zinc/33/84/64/352338464.db2.gz FUSAZBGWXSBKAM-NEPJUHHUSA-N 2 2 263.341 0.990 20 0 CCADLP CCOC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000245914209 352341409 /nfs/dbraw/zinc/34/14/09/352341409.db2.gz KGNBRZSELYRQAB-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CCOC(=O)[C@@H](C)[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000245914209 352341412 /nfs/dbraw/zinc/34/14/12/352341412.db2.gz KGNBRZSELYRQAB-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)CC[N@@H+]1C ZINC000246378977 352363766 /nfs/dbraw/zinc/36/37/66/352363766.db2.gz JYDXCTMZNLDKDE-BZPMIXESSA-N 2 2 291.399 0.598 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)CC[N@H+]1C ZINC000246378977 352363769 /nfs/dbraw/zinc/36/37/69/352363769.db2.gz JYDXCTMZNLDKDE-BZPMIXESSA-N 2 2 291.399 0.598 20 0 CCADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(N)=O)C1 ZINC000247106169 352398883 /nfs/dbraw/zinc/39/88/83/352398883.db2.gz IRUKBMSXEOOTIU-GHMZBOCLSA-N 2 2 250.346 0.956 20 0 CCADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC000247106169 352398886 /nfs/dbraw/zinc/39/88/86/352398886.db2.gz IRUKBMSXEOOTIU-GHMZBOCLSA-N 2 2 250.346 0.956 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247230074 352404994 /nfs/dbraw/zinc/40/49/94/352404994.db2.gz YHTFUWBDCXBYCT-NWDGAFQWSA-N 2 2 282.388 0.520 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247230074 352404996 /nfs/dbraw/zinc/40/49/96/352404996.db2.gz YHTFUWBDCXBYCT-NWDGAFQWSA-N 2 2 282.388 0.520 20 0 CCADLP CC[C@@H]1CN(CC[N@@H+]2CCOC[C@H]2C)CC[NH+]1CCOC ZINC000249099491 352477870 /nfs/dbraw/zinc/47/78/70/352477870.db2.gz VYYRRTXCWLVENK-HZPDHXFCSA-N 2 2 299.459 0.750 20 0 CCADLP CC[C@@H]1CN(CC[N@H+]2CCOC[C@H]2C)CC[NH+]1CCOC ZINC000249099491 352477873 /nfs/dbraw/zinc/47/78/73/352477873.db2.gz VYYRRTXCWLVENK-HZPDHXFCSA-N 2 2 299.459 0.750 20 0 CCADLP CC[C@@H]1CN(CC[NH+]2CCOC[C@H]2C)CC[N@@H+]1CCOC ZINC000249099491 352477875 /nfs/dbraw/zinc/47/78/75/352477875.db2.gz VYYRRTXCWLVENK-HZPDHXFCSA-N 2 2 299.459 0.750 20 0 CCADLP CC[C@@H]1CN(CC[NH+]2CCOC[C@H]2C)CC[N@H+]1CCOC ZINC000249099491 352477878 /nfs/dbraw/zinc/47/78/78/352477878.db2.gz VYYRRTXCWLVENK-HZPDHXFCSA-N 2 2 299.459 0.750 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CCCC2)C[C@H]1C[NH3+] ZINC000253181997 352529129 /nfs/dbraw/zinc/52/91/29/352529129.db2.gz FNTGHDWEYQRLBU-NWDGAFQWSA-N 2 2 296.415 0.672 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CCCC2)C[C@H]1C[NH3+] ZINC000253181997 352529132 /nfs/dbraw/zinc/52/91/32/352529132.db2.gz FNTGHDWEYQRLBU-NWDGAFQWSA-N 2 2 296.415 0.672 20 0 CCADLP Cc1cc[nH+]cc1N1CCN(C(=O)NCC(C)(C)[NH3+])CC1 ZINC000418426811 234116405 /nfs/dbraw/zinc/11/64/05/234116405.db2.gz KIOZHMNUZZKKJS-UHFFFAOYSA-N 2 2 291.399 0.959 20 0 CCADLP C[NH2+]CC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000262673617 352589906 /nfs/dbraw/zinc/58/99/06/352589906.db2.gz QFAYIFSBNUYPSY-OAHLLOKOSA-N 2 2 291.395 0.266 20 0 CCADLP COC(=O)c1cn([C@H]2CCC[N@H+](CC(C)(C)[NH3+])C2)nn1 ZINC000261964045 352568217 /nfs/dbraw/zinc/56/82/17/352568217.db2.gz PSBYZLWCNCPNOJ-JTQLQIEISA-N 2 2 281.360 0.439 20 0 CCADLP COC(=O)c1cn([C@H]2CCC[N@@H+](CC(C)(C)[NH3+])C2)nn1 ZINC000261964045 352568219 /nfs/dbraw/zinc/56/82/19/352568219.db2.gz PSBYZLWCNCPNOJ-JTQLQIEISA-N 2 2 281.360 0.439 20 0 CCADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000262117431 352579765 /nfs/dbraw/zinc/57/97/65/352579765.db2.gz FQPKVODZDAUTBS-KGLIPLIRSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H](C[NH3+])C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000262341257 352585394 /nfs/dbraw/zinc/58/53/94/352585394.db2.gz HXQMTVHSKKNFHB-RYUDHWBXSA-N 2 2 292.383 0.518 20 0 CCADLP CC[C@@H](O)C[NH+]1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000266151033 352685359 /nfs/dbraw/zinc/68/53/59/352685359.db2.gz TYDRKRGNNWJCHV-LLVKDONJSA-N 2 2 275.356 0.851 20 0 CCADLP Cc1nc(N2CC[NH+](CCC(=O)N(C)C)CC2)cc[nH+]1 ZINC000268423849 352828171 /nfs/dbraw/zinc/82/81/71/352828171.db2.gz YDYWWNNSJOHGSD-UHFFFAOYSA-N 2 2 277.372 0.385 20 0 CCADLP C[NH+](C)C1CN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C1 ZINC000273384162 353111791 /nfs/dbraw/zinc/11/17/91/353111791.db2.gz ZHMOFEURFHAFJF-LBPRGKRZSA-N 2 2 291.399 0.436 20 0 CCADLP Cc1nc(NCC2([NH+](C)C)CC2)nc(N(C)C)[nH+]1 ZINC000419012405 234287138 /nfs/dbraw/zinc/28/71/38/234287138.db2.gz WDULPXICBPRWGE-UHFFFAOYSA-N 2 2 250.350 0.174 20 0 CCADLP CC(=O)N1CC[NH+](CCNc2cc[nH+]c(C)c2)CC1 ZINC000274348256 353121492 /nfs/dbraw/zinc/12/14/92/353121492.db2.gz JXTXNIJEUSVTOX-UHFFFAOYSA-N 2 2 262.357 0.966 20 0 CCADLP CCOC(=O)[C@](C)(O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000274649834 353149409 /nfs/dbraw/zinc/14/94/09/353149409.db2.gz MWQJOCYAQIZPBQ-CYBMUJFWSA-N 2 2 269.345 0.519 20 0 CCADLP CCOC(=O)[C@](C)(O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000274649834 353149410 /nfs/dbraw/zinc/14/94/10/353149410.db2.gz MWQJOCYAQIZPBQ-CYBMUJFWSA-N 2 2 269.345 0.519 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000277024572 353218534 /nfs/dbraw/zinc/21/85/34/353218534.db2.gz HYGKBACQBJTILM-VXGBXAGGSA-N 2 2 295.387 0.137 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1CNc1cc(N2CCCC2)[nH+]cn1 ZINC000277469052 353244800 /nfs/dbraw/zinc/24/48/00/353244800.db2.gz OUANMYXVGDEJBH-ZDUSSCGKSA-N 2 2 290.415 0.735 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1CNc1cc(N2CCCC2)[nH+]cn1 ZINC000277469052 353244803 /nfs/dbraw/zinc/24/48/03/353244803.db2.gz OUANMYXVGDEJBH-ZDUSSCGKSA-N 2 2 290.415 0.735 20 0 CCADLP CC[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)C(=O)OC ZINC000279702503 353310309 /nfs/dbraw/zinc/31/03/09/353310309.db2.gz HCHDFICUWKZQEV-WDEREUQCSA-N 2 2 251.330 0.987 20 0 CCADLP O=C(NCCn1cc[nH+]c1)NCC[N@H+]1CC=CCC1 ZINC000279735822 353312650 /nfs/dbraw/zinc/31/26/50/353312650.db2.gz WOIFVRODZHRXQU-UHFFFAOYSA-N 2 2 263.345 0.444 20 0 CCADLP O=C(NCCn1cc[nH+]c1)NCC[N@@H+]1CC=CCC1 ZINC000279735822 353312655 /nfs/dbraw/zinc/31/26/55/353312655.db2.gz WOIFVRODZHRXQU-UHFFFAOYSA-N 2 2 263.345 0.444 20 0 CCADLP Cn1ccnc1C[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000282644114 353441415 /nfs/dbraw/zinc/44/14/15/353441415.db2.gz BXEDPIJFQLESDT-UHFFFAOYSA-N 2 2 279.388 0.016 20 0 CCADLP Cn1ccnc1C[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000282644114 353441416 /nfs/dbraw/zinc/44/14/16/353441416.db2.gz BXEDPIJFQLESDT-UHFFFAOYSA-N 2 2 279.388 0.016 20 0 CCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)C=Cc3c[nH]c[nH+]3)[C@H]2C1 ZINC000283078619 353479188 /nfs/dbraw/zinc/47/91/88/353479188.db2.gz KWAGFJCXZRIENY-KTTDLOKESA-N 2 2 260.341 0.976 20 0 CCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)C=Cc3c[nH]c[nH+]3)[C@H]2C1 ZINC000283078619 353479191 /nfs/dbraw/zinc/47/91/91/353479191.db2.gz KWAGFJCXZRIENY-KTTDLOKESA-N 2 2 260.341 0.976 20 0 CCADLP C[C@@H](NC(=O)C=Cc1c[nH]c[nH+]1)[C@@H](C)[NH+]1CCOCC1 ZINC000284051016 353546011 /nfs/dbraw/zinc/54/60/11/353546011.db2.gz QLCKTLNJUICKSF-BLDJZWNYSA-N 2 2 278.356 0.648 20 0 CCADLP O=C(NCCC[NH+]1CCOCC1)c1ccc2c[nH+]cn2c1 ZINC000283310849 353499479 /nfs/dbraw/zinc/49/94/79/353499479.db2.gz BCFHIBGCPZXUPD-UHFFFAOYSA-N 2 2 288.351 0.786 20 0 CCADLP CC[N@@H+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)[C@H](C)C1 ZINC000286370016 353581539 /nfs/dbraw/zinc/58/15/39/353581539.db2.gz NRJKVYJGXOVUFR-CYBMUJFWSA-N 2 2 291.399 0.844 20 0 CCADLP CC[N@H+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)[C@H](C)C1 ZINC000286370016 353581542 /nfs/dbraw/zinc/58/15/42/353581542.db2.gz NRJKVYJGXOVUFR-CYBMUJFWSA-N 2 2 291.399 0.844 20 0 CCADLP Cc1cnn(C)c1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000286597617 353598730 /nfs/dbraw/zinc/59/87/30/353598730.db2.gz QXBKWLQDFCMZJV-LBPRGKRZSA-N 2 2 279.388 0.158 20 0 CCADLP Cc1cnn(C)c1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000286597617 353598732 /nfs/dbraw/zinc/59/87/32/353598732.db2.gz QXBKWLQDFCMZJV-LBPRGKRZSA-N 2 2 279.388 0.158 20 0 CCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000655459693 412580947 /nfs/dbraw/zinc/58/09/47/412580947.db2.gz OIHFCMVCHUCWFR-UTUOFQBUSA-N 2 2 260.341 0.123 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000286771166 353608971 /nfs/dbraw/zinc/60/89/71/353608971.db2.gz LLXWLNDVFKFUMU-LBPRGKRZSA-N 2 2 288.351 0.473 20 0 CCADLP COC(=O)CC[C@H]([NH3+])C(=O)NCCCNc1cccc[nH+]1 ZINC000289989839 353700118 /nfs/dbraw/zinc/70/01/18/353700118.db2.gz RDCFLSGTEQJKOE-NSHDSACASA-N 2 2 294.355 0.280 20 0 CCADLP Cc1nc(CN2CC[NH+](CCc3c[nH+]cn3C)CC2)no1 ZINC000290099463 353708173 /nfs/dbraw/zinc/70/81/73/353708173.db2.gz RUZNUQVGEMZEOS-UHFFFAOYSA-N 2 2 290.371 0.472 20 0 CCADLP C[C@H](CNC(=O)CCc1c[nH+]cn1C)C[NH+](C)C ZINC000293835811 353844252 /nfs/dbraw/zinc/84/42/52/353844252.db2.gz DBWHULKRCAJAEI-LLVKDONJSA-N 2 2 252.362 0.667 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000293956949 353854871 /nfs/dbraw/zinc/85/48/71/353854871.db2.gz KRXDXRMIGRMWPT-AOOOYVTPSA-N 2 2 250.346 0.812 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000293956949 353854874 /nfs/dbraw/zinc/85/48/74/353854874.db2.gz KRXDXRMIGRMWPT-AOOOYVTPSA-N 2 2 250.346 0.812 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000295822468 353920604 /nfs/dbraw/zinc/92/06/04/353920604.db2.gz UVROAJLGGRDSHB-AAEUAGOBSA-N 2 2 274.368 0.917 20 0 CCADLP C[C@@H]1CN(C(=O)NCc2[nH+]ccn2C)C[C@H](C)[N@H+]1C ZINC000296406452 353945857 /nfs/dbraw/zinc/94/58/57/353945857.db2.gz LZNGLZVZAMJTEZ-PHIMTYICSA-N 2 2 265.361 0.654 20 0 CCADLP C[C@@H]1CN(C(=O)NCc2[nH+]ccn2C)C[C@H](C)[N@@H+]1C ZINC000296406452 353945861 /nfs/dbraw/zinc/94/58/61/353945861.db2.gz LZNGLZVZAMJTEZ-PHIMTYICSA-N 2 2 265.361 0.654 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC[N@H+](C)CC1 ZINC000298698732 353964697 /nfs/dbraw/zinc/96/46/97/353964697.db2.gz UJCHGEYVSGNRSL-LBPRGKRZSA-N 2 2 265.361 0.619 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC[N@@H+](C)CC1 ZINC000298698732 353964698 /nfs/dbraw/zinc/96/46/98/353964698.db2.gz UJCHGEYVSGNRSL-LBPRGKRZSA-N 2 2 265.361 0.619 20 0 CCADLP CC(=O)N1CC[NH+](CCNc2cc(C)[nH+]c(C)n2)CC1 ZINC000298735354 353967017 /nfs/dbraw/zinc/96/70/17/353967017.db2.gz QJJWTDHKPFWMDG-UHFFFAOYSA-N 2 2 277.372 0.669 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[N@@H+]3CCC[C@H]3C2)nc[nH+]1 ZINC000298176300 353962079 /nfs/dbraw/zinc/96/20/79/353962079.db2.gz GGABCZZDXJTOMG-RYUDHWBXSA-N 2 2 277.372 0.554 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[N@H+]3CCC[C@H]3C2)nc[nH+]1 ZINC000298176300 353962085 /nfs/dbraw/zinc/96/20/85/353962085.db2.gz GGABCZZDXJTOMG-RYUDHWBXSA-N 2 2 277.372 0.554 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)NCCCn1cc[nH+]c1 ZINC000299365165 354011883 /nfs/dbraw/zinc/01/18/83/354011883.db2.gz LBKLHCNQGNZSSD-GFCCVEGCSA-N 2 2 267.377 0.913 20 0 CCADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@@H](CO)C1 ZINC000606934396 363325728 /nfs/dbraw/zinc/32/57/28/363325728.db2.gz UHXGNWBFSZASKJ-HZPDHXFCSA-N 2 2 278.396 0.794 20 0 CCADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@@H](CO)C1 ZINC000606934396 363325734 /nfs/dbraw/zinc/32/57/34/363325734.db2.gz UHXGNWBFSZASKJ-HZPDHXFCSA-N 2 2 278.396 0.794 20 0 CCADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CC[C@@H](CO)C1 ZINC000606934396 363325738 /nfs/dbraw/zinc/32/57/38/363325738.db2.gz UHXGNWBFSZASKJ-HZPDHXFCSA-N 2 2 278.396 0.794 20 0 CCADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CC[C@@H](CO)C1 ZINC000606934396 363325744 /nfs/dbraw/zinc/32/57/44/363325744.db2.gz UHXGNWBFSZASKJ-HZPDHXFCSA-N 2 2 278.396 0.794 20 0 CCADLP Cn1cc(C[N@H+](CCO)C2CC[NH+](C)CC2)cn1 ZINC000303997347 354101822 /nfs/dbraw/zinc/10/18/22/354101822.db2.gz PSKDDFRJZDSBPE-UHFFFAOYSA-N 2 2 252.362 0.309 20 0 CCADLP Cn1cc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cn1 ZINC000303997347 354101824 /nfs/dbraw/zinc/10/18/24/354101824.db2.gz PSKDDFRJZDSBPE-UHFFFAOYSA-N 2 2 252.362 0.309 20 0 CCADLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cccc(CO)c1 ZINC000305656328 354149646 /nfs/dbraw/zinc/14/96/46/354149646.db2.gz PSFJQNPJWQYXCJ-RISCZKNCSA-N 2 2 252.358 0.752 20 0 CCADLP COC(=O)[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000310815014 354192548 /nfs/dbraw/zinc/19/25/48/354192548.db2.gz ATEKMYVZQUITIW-RYUDHWBXSA-N 2 2 258.362 0.182 20 0 CCADLP COC(=O)[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000310815014 354192551 /nfs/dbraw/zinc/19/25/51/354192551.db2.gz ATEKMYVZQUITIW-RYUDHWBXSA-N 2 2 258.362 0.182 20 0 CCADLP COC(=O)[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000310815014 354192553 /nfs/dbraw/zinc/19/25/53/354192553.db2.gz ATEKMYVZQUITIW-RYUDHWBXSA-N 2 2 258.362 0.182 20 0 CCADLP COC(=O)[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000310815014 354192557 /nfs/dbraw/zinc/19/25/57/354192557.db2.gz ATEKMYVZQUITIW-RYUDHWBXSA-N 2 2 258.362 0.182 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000310988034 354195751 /nfs/dbraw/zinc/19/57/51/354195751.db2.gz KVCRNYCDOGYQKU-NXEZZACHSA-N 2 2 269.311 0.135 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000310988034 354195757 /nfs/dbraw/zinc/19/57/57/354195757.db2.gz KVCRNYCDOGYQKU-NXEZZACHSA-N 2 2 269.311 0.135 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C[C@H](C)O ZINC000311405161 354199373 /nfs/dbraw/zinc/19/93/73/354199373.db2.gz AXUBQRWZOLPAHQ-MJBXVCDLSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C[C@H](C)O ZINC000311405161 354199375 /nfs/dbraw/zinc/19/93/75/354199375.db2.gz AXUBQRWZOLPAHQ-MJBXVCDLSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1C[C@H](C)O ZINC000311405161 354199378 /nfs/dbraw/zinc/19/93/78/354199378.db2.gz AXUBQRWZOLPAHQ-MJBXVCDLSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1C[C@H](C)O ZINC000311405161 354199381 /nfs/dbraw/zinc/19/93/81/354199381.db2.gz AXUBQRWZOLPAHQ-MJBXVCDLSA-N 2 2 274.405 0.161 20 0 CCADLP C[C@H](c1cnccn1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000311913182 354205314 /nfs/dbraw/zinc/20/53/14/354205314.db2.gz HTZGJUDHJUQVBH-CHWSQXEVSA-N 2 2 261.373 0.517 20 0 CCADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)NC(=O)NC1CCCC1 ZINC000314264133 354222909 /nfs/dbraw/zinc/22/29/09/354222909.db2.gz SWDDIHGWPNFMEA-NWDGAFQWSA-N 2 2 294.399 0.296 20 0 CCADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)NC(=O)NC1CCCC1 ZINC000314264133 354222913 /nfs/dbraw/zinc/22/29/13/354222913.db2.gz SWDDIHGWPNFMEA-NWDGAFQWSA-N 2 2 294.399 0.296 20 0 CCADLP CN1CCN(C[C@H](O)C[NH+]2CCOCC2)c2ccc[nH+]c21 ZINC000328597300 354233510 /nfs/dbraw/zinc/23/35/10/354233510.db2.gz AAIKIFIRGLFORP-CYBMUJFWSA-N 2 2 292.383 0.031 20 0 CCADLP CCN1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000328622219 354239734 /nfs/dbraw/zinc/23/97/34/354239734.db2.gz IGWPYORWCQACIX-CYBMUJFWSA-N 2 2 293.415 0.955 20 0 CCADLP CCN1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000328622219 354239735 /nfs/dbraw/zinc/23/97/35/354239735.db2.gz IGWPYORWCQACIX-CYBMUJFWSA-N 2 2 293.415 0.955 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655485639 412588360 /nfs/dbraw/zinc/58/83/60/412588360.db2.gz PEBKSANLJPJZPW-WOPDTQHZSA-N 2 2 262.357 0.784 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000329874294 354267902 /nfs/dbraw/zinc/26/79/02/354267902.db2.gz CSMCYKSOJORZRR-KGLIPLIRSA-N 2 2 291.351 0.392 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000329874294 354267904 /nfs/dbraw/zinc/26/79/04/354267904.db2.gz CSMCYKSOJORZRR-KGLIPLIRSA-N 2 2 291.351 0.392 20 0 CCADLP CNS(=O)(=O)CCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000330365072 354327908 /nfs/dbraw/zinc/32/79/08/354327908.db2.gz DTBRWJZDQOUILR-LLVKDONJSA-N 2 2 286.401 0.528 20 0 CCADLP CNS(=O)(=O)CCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000330365072 354327910 /nfs/dbraw/zinc/32/79/10/354327910.db2.gz DTBRWJZDQOUILR-LLVKDONJSA-N 2 2 286.401 0.528 20 0 CCADLP C[C@H](C(=O)N[C@@H](C)Cn1cc[nH+]c1)N1CC[NH+](C)CC1 ZINC000330404053 354346118 /nfs/dbraw/zinc/34/61/18/354346118.db2.gz CTZSNWWVGDPBLL-QWHCGFSZSA-N 2 2 279.388 0.024 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)NCC2=CC[NH2+]CC2)CCO1 ZINC000557227772 291027809 /nfs/dbraw/zinc/02/78/09/291027809.db2.gz UEBXMUKCUTUXFG-AWEZNQCLSA-N 2 2 296.415 0.316 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)NCC2=CC[NH2+]CC2)CCO1 ZINC000557227772 291027811 /nfs/dbraw/zinc/02/78/11/291027811.db2.gz UEBXMUKCUTUXFG-AWEZNQCLSA-N 2 2 296.415 0.316 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](C(=O)OC)C2)CC1 ZINC000330449291 354362911 /nfs/dbraw/zinc/36/29/11/354362911.db2.gz ZPCUZMABWYRLSQ-CHWSQXEVSA-N 2 2 297.399 0.034 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](C(=O)OC)C2)CC1 ZINC000330449291 354362914 /nfs/dbraw/zinc/36/29/14/354362914.db2.gz ZPCUZMABWYRLSQ-CHWSQXEVSA-N 2 2 297.399 0.034 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](C(=O)OC)C2)CC1 ZINC000330449292 354363037 /nfs/dbraw/zinc/36/30/37/354363037.db2.gz ZPCUZMABWYRLSQ-OLZOCXBDSA-N 2 2 297.399 0.034 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](C(=O)OC)C2)CC1 ZINC000330449292 354363042 /nfs/dbraw/zinc/36/30/42/354363042.db2.gz ZPCUZMABWYRLSQ-OLZOCXBDSA-N 2 2 297.399 0.034 20 0 CCADLP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@H](O)C[NH+](C)C ZINC000331067919 354436770 /nfs/dbraw/zinc/43/67/70/354436770.db2.gz AJEFZSBPSQLLHL-JQWIXIFHSA-N 2 2 252.362 0.310 20 0 CCADLP CC(C)N1CC[C@@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)C1=O ZINC000331127042 354458978 /nfs/dbraw/zinc/45/89/78/354458978.db2.gz NWELATRSIPHEPB-GFCCVEGCSA-N 2 2 279.388 0.585 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C[C@H]1C ZINC000331339205 354541783 /nfs/dbraw/zinc/54/17/83/354541783.db2.gz RQQPMFKOIZVJGV-OLZOCXBDSA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C[C@H]1C ZINC000331339205 354541785 /nfs/dbraw/zinc/54/17/85/354541785.db2.gz RQQPMFKOIZVJGV-OLZOCXBDSA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC000331339205 354541790 /nfs/dbraw/zinc/54/17/90/354541790.db2.gz RQQPMFKOIZVJGV-OLZOCXBDSA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC000331339205 354541795 /nfs/dbraw/zinc/54/17/95/354541795.db2.gz RQQPMFKOIZVJGV-OLZOCXBDSA-N 2 2 297.399 0.176 20 0 CCADLP CCOC[C@@H](O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000331276778 354514708 /nfs/dbraw/zinc/51/47/08/354514708.db2.gz CVHIWJYPPILIRQ-LBPRGKRZSA-N 2 2 253.346 0.987 20 0 CCADLP Cn1c[nH+]cc1CSc1nnnn1CC[NH+](C)C ZINC000331276871 354514816 /nfs/dbraw/zinc/51/48/16/354514816.db2.gz YGCKHTILOVQJTA-UHFFFAOYSA-N 2 2 267.362 0.261 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)C1C[NH2+]C1 ZINC000422692581 234845571 /nfs/dbraw/zinc/84/55/71/234845571.db2.gz KKQYAFHXFKFGMH-BXUZGUMPSA-N 2 2 259.353 0.989 20 0 CCADLP O[C@@]1(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CCOC1 ZINC000332327284 354647132 /nfs/dbraw/zinc/64/71/32/354647132.db2.gz XUFVZHAJTQDCMJ-MRXNPFEDSA-N 2 2 291.395 0.787 20 0 CCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000334364320 354858684 /nfs/dbraw/zinc/85/86/84/354858684.db2.gz GHICKYSKELSUEF-GXTWGEPZSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000334364320 354858690 /nfs/dbraw/zinc/85/86/90/354858690.db2.gz GHICKYSKELSUEF-GXTWGEPZSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@@H](C(=O)N(C)C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000334364320 354858692 /nfs/dbraw/zinc/85/86/92/354858692.db2.gz GHICKYSKELSUEF-GXTWGEPZSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@@H](C(=O)N(C)C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000334364320 354858696 /nfs/dbraw/zinc/85/86/96/354858696.db2.gz GHICKYSKELSUEF-GXTWGEPZSA-N 2 2 253.390 0.881 20 0 CCADLP C[N@@H+]1CC[C@@H]([NH2+]CCN2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000420397888 283058558 /nfs/dbraw/zinc/05/85/58/283058558.db2.gz GOAQWBUWMKNZHD-SJORKVTESA-N 3 2 288.439 0.927 20 0 CCADLP C[N@H+]1CC[C@@H]([NH2+]CCN2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000420397888 283058560 /nfs/dbraw/zinc/05/85/60/283058560.db2.gz GOAQWBUWMKNZHD-SJORKVTESA-N 3 2 288.439 0.927 20 0 CCADLP CNC(=O)c1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000335038385 354944908 /nfs/dbraw/zinc/94/49/08/354944908.db2.gz OBJXCOVZNJMUDO-OKILXGFUSA-N 2 2 259.353 0.697 20 0 CCADLP CNC(=O)c1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000335038385 354944912 /nfs/dbraw/zinc/94/49/12/354944912.db2.gz OBJXCOVZNJMUDO-OKILXGFUSA-N 2 2 259.353 0.697 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(F)(F)CC2)CC1 ZINC000684624231 545717275 /nfs/dbraw/zinc/71/72/75/545717275.db2.gz PFFUPIYHQSBXFR-UHFFFAOYSA-N 2 2 261.316 0.492 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCN(C(=O)N(C)C)CC1 ZINC000336114127 355095312 /nfs/dbraw/zinc/09/53/12/355095312.db2.gz QXEAEIIHBJUWAO-UHFFFAOYSA-N 2 2 265.361 0.491 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@]12CCOC2)C1CC1 ZINC000336796066 355169657 /nfs/dbraw/zinc/16/96/57/355169657.db2.gz PDWSEPUVAQOATL-KBPBESRZSA-N 2 2 254.374 0.696 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@]12CCOC2)C1CC1 ZINC000336796066 355169660 /nfs/dbraw/zinc/16/96/60/355169660.db2.gz PDWSEPUVAQOATL-KBPBESRZSA-N 2 2 254.374 0.696 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@]12CCOC2)C1CC1 ZINC000336796066 355169664 /nfs/dbraw/zinc/16/96/64/355169664.db2.gz PDWSEPUVAQOATL-KBPBESRZSA-N 2 2 254.374 0.696 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@]12CCOC2)C1CC1 ZINC000336796066 355169667 /nfs/dbraw/zinc/16/96/67/355169667.db2.gz PDWSEPUVAQOATL-KBPBESRZSA-N 2 2 254.374 0.696 20 0 CCADLP C[C@@H](O)CC[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000336701361 355140930 /nfs/dbraw/zinc/14/09/30/355140930.db2.gz DXHPWONGPQUJBE-CHWSQXEVSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@@H](O)CC[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000336701361 355140933 /nfs/dbraw/zinc/14/09/33/355140933.db2.gz DXHPWONGPQUJBE-CHWSQXEVSA-N 2 2 256.390 0.942 20 0 CCADLP C[N@H+](CCC[NH+]1CCCC1)C[C@H]1CCS(=O)(=O)C1 ZINC000336708813 355144779 /nfs/dbraw/zinc/14/47/79/355144779.db2.gz LRYXXPWEPQOYSP-CYBMUJFWSA-N 2 2 274.430 0.839 20 0 CCADLP C[N@@H+](CCC[NH+]1CCCC1)C[C@H]1CCS(=O)(=O)C1 ZINC000336708813 355144782 /nfs/dbraw/zinc/14/47/82/355144782.db2.gz LRYXXPWEPQOYSP-CYBMUJFWSA-N 2 2 274.430 0.839 20 0 CCADLP C([C@H]1CCOC1)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000336709693 355145063 /nfs/dbraw/zinc/14/50/63/355145063.db2.gz MIGLMKFOXXVKTM-ZIAGYGMSSA-N 2 2 254.374 0.677 20 0 CCADLP C([C@H]1CCOC1)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000336709693 355145066 /nfs/dbraw/zinc/14/50/66/355145066.db2.gz MIGLMKFOXXVKTM-ZIAGYGMSSA-N 2 2 254.374 0.677 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3nccc(C)n3)C2)CC1 ZINC000336833170 355207350 /nfs/dbraw/zinc/20/73/50/355207350.db2.gz BYBXUWMSWQRWLF-OAHLLOKOSA-N 2 2 289.427 0.997 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3nccc(C)n3)C2)CC1 ZINC000336833170 355207351 /nfs/dbraw/zinc/20/73/51/355207351.db2.gz BYBXUWMSWQRWLF-OAHLLOKOSA-N 2 2 289.427 0.997 20 0 CCADLP [NH3+][C@@H]1CC[C@H](C(=O)NC[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000424177072 235168303 /nfs/dbraw/zinc/16/83/03/235168303.db2.gz PJPUAGVDYKSHEH-IVZWLZJFSA-N 2 2 261.316 0.475 20 0 CCADLP NS(=O)(=O)CCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000336799192 355173482 /nfs/dbraw/zinc/17/34/82/355173482.db2.gz HRWSNHDIHTVKTF-LBPRGKRZSA-N 2 2 285.369 0.213 20 0 CCADLP NS(=O)(=O)CCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000336799192 355173486 /nfs/dbraw/zinc/17/34/86/355173486.db2.gz HRWSNHDIHTVKTF-LBPRGKRZSA-N 2 2 285.369 0.213 20 0 CCADLP C[N@@H+]1CCC[C@H]2CN(CC[NH+]3CCOCC3)CC[C@@H]21 ZINC000336799360 355173637 /nfs/dbraw/zinc/17/36/37/355173637.db2.gz IINHVXODGNWUOS-GJZGRUSLSA-N 2 2 267.417 0.735 20 0 CCADLP C[N@H+]1CCC[C@H]2CN(CC[NH+]3CCOCC3)CC[C@@H]21 ZINC000336799360 355173640 /nfs/dbraw/zinc/17/36/40/355173640.db2.gz IINHVXODGNWUOS-GJZGRUSLSA-N 2 2 267.417 0.735 20 0 CCADLP O=C(CC[C@H]1CCC[NH2+]1)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424197785 235176164 /nfs/dbraw/zinc/17/61/64/235176164.db2.gz WZJGKHIMNTWELV-GHMZBOCLSA-N 2 2 275.343 0.880 20 0 CCADLP CC1CCC(N(C)C(=O)C[N@H+](C)C[C@@H](O)C[NH3+])CC1 ZINC000336816324 355190409 /nfs/dbraw/zinc/19/04/09/355190409.db2.gz LNQVZPPLMYWPEM-BPCQOVAHSA-N 2 2 271.405 0.275 20 0 CCADLP CC1CCC(N(C)C(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])CC1 ZINC000336816324 355190412 /nfs/dbraw/zinc/19/04/12/355190412.db2.gz LNQVZPPLMYWPEM-BPCQOVAHSA-N 2 2 271.405 0.275 20 0 CCADLP Cn1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)nn1 ZINC000336828397 355202684 /nfs/dbraw/zinc/20/26/84/355202684.db2.gz NULCDIDQEHQEFW-UHFFFAOYSA-N 2 2 279.388 0.359 20 0 CCADLP COCC(C)(C)[NH+]1CCN(C(=O)c2c[nH+]ccc2N)CC1 ZINC000424215031 235181102 /nfs/dbraw/zinc/18/11/02/235181102.db2.gz DOJJSBDDRPCAPS-UHFFFAOYSA-N 2 2 292.383 0.677 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H]1CCC12CCOCC2 ZINC000558623868 291063072 /nfs/dbraw/zinc/06/30/72/291063072.db2.gz XRXMNONDCIHHFP-UONOGXRCSA-N 2 2 267.417 0.781 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H]1CCC12CCOCC2 ZINC000558623868 291063073 /nfs/dbraw/zinc/06/30/73/291063073.db2.gz XRXMNONDCIHHFP-UONOGXRCSA-N 2 2 267.417 0.781 20 0 CCADLP COCCn1cc(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)cn1 ZINC000337268780 355294178 /nfs/dbraw/zinc/29/41/78/355294178.db2.gz YBCWZRSKMRERRE-WCQYABFASA-N 2 2 252.362 0.569 20 0 CCADLP COCCn1cc(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)cn1 ZINC000337268780 355294180 /nfs/dbraw/zinc/29/41/80/355294180.db2.gz YBCWZRSKMRERRE-WCQYABFASA-N 2 2 252.362 0.569 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCCCC[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000364466643 299229486 /nfs/dbraw/zinc/22/94/86/299229486.db2.gz MAFAQUKEBFUEBX-MELADBBJSA-N 2 2 283.416 0.744 20 0 CCADLP CS[C@@H]1CN(CC[N@@H+]2CCO[C@H](C)C2)C[C@@H]1[NH+](C)C ZINC000337314707 355299392 /nfs/dbraw/zinc/29/93/92/355299392.db2.gz ILDDQDMTSQBTJF-HZSPNIEDSA-N 2 2 287.473 0.685 20 0 CCADLP CS[C@@H]1CN(CC[N@H+]2CCO[C@H](C)C2)C[C@@H]1[NH+](C)C ZINC000337314707 355299394 /nfs/dbraw/zinc/29/93/94/355299394.db2.gz ILDDQDMTSQBTJF-HZSPNIEDSA-N 2 2 287.473 0.685 20 0 CCADLP CS[C@@H]1CN(CC[N@@H+]2CCOC[C@@H]2C)C[C@H]1[NH+](C)C ZINC000337187168 355280646 /nfs/dbraw/zinc/28/06/46/355280646.db2.gz PUEDYSIJQWNOAH-BFHYXJOUSA-N 2 2 287.473 0.685 20 0 CCADLP CS[C@@H]1CN(CC[N@H+]2CCOC[C@@H]2C)C[C@H]1[NH+](C)C ZINC000337187168 355280649 /nfs/dbraw/zinc/28/06/49/355280649.db2.gz PUEDYSIJQWNOAH-BFHYXJOUSA-N 2 2 287.473 0.685 20 0 CCADLP CC1(C)NC(=O)CC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000338596240 355374508 /nfs/dbraw/zinc/37/45/08/355374508.db2.gz FEVAWJJISYYATJ-LLVKDONJSA-N 2 2 250.346 0.920 20 0 CCADLP CC[N@H+](CCNC(=O)[C@@H](C)[NH+]1CCOCC1)C1CC1 ZINC000338454814 355352304 /nfs/dbraw/zinc/35/23/04/355352304.db2.gz IZZJJTVUCLHEBF-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@@H](C)[NH+]1CCOCC1)C1CC1 ZINC000338454814 355352309 /nfs/dbraw/zinc/35/23/09/355352309.db2.gz IZZJJTVUCLHEBF-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP COCCCn1nccc1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000338454138 355352833 /nfs/dbraw/zinc/35/28/33/355352833.db2.gz HKHZJSNFVXGMCK-CQSZACIVSA-N 2 2 284.404 0.322 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000338474862 355355917 /nfs/dbraw/zinc/35/59/17/355355917.db2.gz LROHMIZFKVRFSL-LBPRGKRZSA-N 2 2 267.377 0.911 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000338474862 355355921 /nfs/dbraw/zinc/35/59/21/355355921.db2.gz LROHMIZFKVRFSL-LBPRGKRZSA-N 2 2 267.377 0.911 20 0 CCADLP [NH3+]C[C@@H](NC(=O)[C@H]([NH3+])c1c(F)cccc1F)C(F)(F)F ZINC000655519214 412609966 /nfs/dbraw/zinc/60/99/66/412609966.db2.gz PXSMYSNBALBHDK-VXNVDRBHSA-N 2 2 297.227 0.970 20 0 CCADLP C[C@H]1COCCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340250577 355537731 /nfs/dbraw/zinc/53/77/31/355537731.db2.gz HSUODONFJPKHDL-ZDUSSCGKSA-N 2 2 298.431 0.443 20 0 CCADLP Cc1nc2n(n1)C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)CC2 ZINC000425363228 235289045 /nfs/dbraw/zinc/28/90/45/235289045.db2.gz WGYRWQRILZUHTE-LLVKDONJSA-N 2 2 289.387 0.491 20 0 CCADLP CS[C@@H]1CN(c2nc(C)[nH+]c(N(C)C)n2)C[C@H]1[NH+](C)C ZINC000340210018 355523494 /nfs/dbraw/zinc/52/34/94/355523494.db2.gz RQADEFAYIUSFKY-GHMZBOCLSA-N 2 2 296.444 0.728 20 0 CCADLP CC[C@@H](COC)[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000341331967 355654699 /nfs/dbraw/zinc/65/46/99/355654699.db2.gz RBXQPWRHZXNZJC-QWHCGFSZSA-N 2 2 294.399 0.926 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNc2nccc(CO)n2)CC1 ZINC000341614575 355704280 /nfs/dbraw/zinc/70/42/80/355704280.db2.gz NWIJHHXNUCSGDS-UHFFFAOYSA-N 2 2 279.388 0.407 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000341639233 355709734 /nfs/dbraw/zinc/70/97/34/355709734.db2.gz NEEKOXIKKHFUJM-STQMWFEESA-N 2 2 269.389 0.117 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000341639233 355709738 /nfs/dbraw/zinc/70/97/38/355709738.db2.gz NEEKOXIKKHFUJM-STQMWFEESA-N 2 2 269.389 0.117 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cnc(C(C)(C)C)nc2)C1 ZINC000342798490 355748453 /nfs/dbraw/zinc/74/84/53/355748453.db2.gz UJJSCGPDTDJQSI-OAHLLOKOSA-N 2 2 278.400 0.930 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cnc(C(C)(C)C)nc2)C1 ZINC000342798490 355748456 /nfs/dbraw/zinc/74/84/56/355748456.db2.gz UJJSCGPDTDJQSI-OAHLLOKOSA-N 2 2 278.400 0.930 20 0 CCADLP CCC(CC)[C@@H](C(=O)NCC1C[NH2+]C1)[NH+]1CCOCC1 ZINC000342839046 355755904 /nfs/dbraw/zinc/75/59/04/355755904.db2.gz GCTGHTALGJZPBI-AWEZNQCLSA-N 2 2 283.416 0.459 20 0 CCADLP Cc1ncc(C[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cn1 ZINC000344524358 355790684 /nfs/dbraw/zinc/79/06/84/355790684.db2.gz JQFARVHIVICLAK-GFCCVEGCSA-N 2 2 264.373 0.843 20 0 CCADLP Cc1ncc(C[NH2+][C@H](C)CC[NH+]2CCOCC2)cn1 ZINC000347779707 355883094 /nfs/dbraw/zinc/88/30/94/355883094.db2.gz PGJHZAQSPUGKRX-GFCCVEGCSA-N 2 2 264.373 0.985 20 0 CCADLP CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@H](O)C[NH+](C)C3CC3)[C@@H]2C1 ZINC000351715261 356003594 /nfs/dbraw/zinc/00/35/94/356003594.db2.gz IHFDKVSVWLZFRL-FPCVCCKLSA-N 2 2 298.427 0.710 20 0 CCADLP CO[C@@H]1CC[C@@H]2OCC[N@@H+](C[C@H](O)C[NH+](C)C3CC3)[C@@H]2C1 ZINC000351715261 356003602 /nfs/dbraw/zinc/00/36/02/356003602.db2.gz IHFDKVSVWLZFRL-FPCVCCKLSA-N 2 2 298.427 0.710 20 0 CCADLP CO[C@@H]1CC[C@@H]2OCC[NH+](C[C@H](O)C[N@H+](C)C3CC3)[C@@H]2C1 ZINC000351715261 356003606 /nfs/dbraw/zinc/00/36/06/356003606.db2.gz IHFDKVSVWLZFRL-FPCVCCKLSA-N 2 2 298.427 0.710 20 0 CCADLP CO[C@@H]1CC[C@@H]2OCC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)[C@@H]2C1 ZINC000351715261 356003613 /nfs/dbraw/zinc/00/36/13/356003613.db2.gz IHFDKVSVWLZFRL-FPCVCCKLSA-N 2 2 298.427 0.710 20 0 CCADLP CC[N@@H+]1CCN(CC[NH+]2CCO[C@@H](C)C2)[C@@H](C)C1 ZINC000352689255 356054605 /nfs/dbraw/zinc/05/46/05/356054605.db2.gz CYMFHHSHYPANQO-KBPBESRZSA-N 2 2 255.406 0.733 20 0 CCADLP CC[N@H+]1CCN(CC[NH+]2CCO[C@@H](C)C2)[C@@H](C)C1 ZINC000352689255 356054609 /nfs/dbraw/zinc/05/46/09/356054609.db2.gz CYMFHHSHYPANQO-KBPBESRZSA-N 2 2 255.406 0.733 20 0 CCADLP CC[NH+]1CCN(CC[N@@H+]2CCO[C@@H](C)C2)[C@@H](C)C1 ZINC000352689255 356054614 /nfs/dbraw/zinc/05/46/14/356054614.db2.gz CYMFHHSHYPANQO-KBPBESRZSA-N 2 2 255.406 0.733 20 0 CCADLP CC[NH+]1CCN(CC[N@H+]2CCO[C@@H](C)C2)[C@@H](C)C1 ZINC000352689255 356054617 /nfs/dbraw/zinc/05/46/17/356054617.db2.gz CYMFHHSHYPANQO-KBPBESRZSA-N 2 2 255.406 0.733 20 0 CCADLP CCCC[N@H+](C)CCNC(=O)NCc1[nH+]ccn1C ZINC000352732380 356065998 /nfs/dbraw/zinc/06/59/98/356065998.db2.gz ZJTAEDJEJKCNIA-UHFFFAOYSA-N 2 2 267.377 0.951 20 0 CCADLP CCCC[N@@H+](C)CCNC(=O)NCc1[nH+]ccn1C ZINC000352732380 356066002 /nfs/dbraw/zinc/06/60/02/356066002.db2.gz ZJTAEDJEJKCNIA-UHFFFAOYSA-N 2 2 267.377 0.951 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCC[N@H+](C)C1CC1 ZINC000352733156 356066164 /nfs/dbraw/zinc/06/61/64/356066164.db2.gz WEPUXIVEVNBPCM-CYBMUJFWSA-N 2 2 297.447 0.016 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCC[N@@H+](C)C1CC1 ZINC000352733156 356066167 /nfs/dbraw/zinc/06/61/67/356066167.db2.gz WEPUXIVEVNBPCM-CYBMUJFWSA-N 2 2 297.447 0.016 20 0 CCADLP CNC(=O)CC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352783494 356079445 /nfs/dbraw/zinc/07/94/45/356079445.db2.gz CMBJTCGTDOMYPN-UHFFFAOYSA-N 2 2 256.375 0.430 20 0 CCADLP Cn1cc(N2CC[C@@H]([N@@H+]3CC[C@]4(CC[NH2+]C4)C3)C2=O)cn1 ZINC000360561988 138000554 /nfs/dbraw/zinc/00/05/54/138000554.db2.gz KGUTWXXHTWDOPN-HIFRSBDPSA-N 2 2 289.383 0.211 20 0 CCADLP Cn1cc(N2CC[C@@H]([N@H+]3CC[C@]4(CC[NH2+]C4)C3)C2=O)cn1 ZINC000360561988 138000555 /nfs/dbraw/zinc/00/05/55/138000555.db2.gz KGUTWXXHTWDOPN-HIFRSBDPSA-N 2 2 289.383 0.211 20 0 CCADLP COCC[N@H+](C)CC[NH2+][C@H](C)C(C)(C)n1cncn1 ZINC000353414135 356216952 /nfs/dbraw/zinc/21/69/52/356216952.db2.gz RZQJJZIAJOPMAP-GFCCVEGCSA-N 2 2 269.393 0.570 20 0 CCADLP COCC[N@@H+](C)CC[NH2+][C@H](C)C(C)(C)n1cncn1 ZINC000353414135 356216953 /nfs/dbraw/zinc/21/69/53/356216953.db2.gz RZQJJZIAJOPMAP-GFCCVEGCSA-N 2 2 269.393 0.570 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000353469223 356230258 /nfs/dbraw/zinc/23/02/58/356230258.db2.gz POWCFRWDQODVPQ-AJNGGQMLSA-N 2 2 295.427 0.554 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000353579520 356252613 /nfs/dbraw/zinc/25/26/13/356252613.db2.gz QBRGWKUMYWGVCK-GXTWGEPZSA-N 2 2 277.368 0.523 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000353579520 356252616 /nfs/dbraw/zinc/25/26/16/356252616.db2.gz QBRGWKUMYWGVCK-GXTWGEPZSA-N 2 2 277.368 0.523 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000353581911 356253948 /nfs/dbraw/zinc/25/39/48/356253948.db2.gz ZUSDLIDDHHJUME-TUAOUCFPSA-N 2 2 257.378 0.197 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000353581911 356253950 /nfs/dbraw/zinc/25/39/50/356253950.db2.gz ZUSDLIDDHHJUME-TUAOUCFPSA-N 2 2 257.378 0.197 20 0 CCADLP CCC[C@@H]([NH3+])C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000353591133 356255421 /nfs/dbraw/zinc/25/54/21/356255421.db2.gz BSYZTNPLZWBVSM-OAHLLOKOSA-N 3 2 296.459 0.789 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)Cn1cc[nH+]c1 ZINC000360820690 138012286 /nfs/dbraw/zinc/01/22/86/138012286.db2.gz WIMJCQWYSYVIDO-VHSXEESVSA-N 2 2 272.299 0.633 20 0 CCADLP CCCC[C@H]([NH3+])C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000353666568 356269294 /nfs/dbraw/zinc/26/92/94/356269294.db2.gz BQLPUDHKSGTREF-LBPRGKRZSA-N 2 2 279.388 0.571 20 0 CCADLP CC[NH+]1CCC([NH2+][C@H]2CCS(=O)(=O)[C@H]2C)CC1 ZINC000353935503 356317703 /nfs/dbraw/zinc/31/77/03/356317703.db2.gz WUQOQWDEVPRNTL-JQWIXIFHSA-N 2 2 260.403 0.636 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC(F)(F)[C@H](CO)C1)C1CC1 ZINC000361407989 138035818 /nfs/dbraw/zinc/03/58/18/138035818.db2.gz JJJDPAHTPJTCNZ-JQWIXIFHSA-N 2 2 278.343 0.391 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(F)(F)[C@H](CO)C1)C1CC1 ZINC000361407989 138035819 /nfs/dbraw/zinc/03/58/19/138035819.db2.gz JJJDPAHTPJTCNZ-JQWIXIFHSA-N 2 2 278.343 0.391 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCC(F)(F)[C@H](CO)C1)C1CC1 ZINC000361407989 138035820 /nfs/dbraw/zinc/03/58/20/138035820.db2.gz JJJDPAHTPJTCNZ-JQWIXIFHSA-N 2 2 278.343 0.391 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCC(F)(F)[C@H](CO)C1)C1CC1 ZINC000361407989 138035821 /nfs/dbraw/zinc/03/58/21/138035821.db2.gz JJJDPAHTPJTCNZ-JQWIXIFHSA-N 2 2 278.343 0.391 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)NCC[NH+]1CCSCC1 ZINC000273574197 192210641 /nfs/dbraw/zinc/21/06/41/192210641.db2.gz GLYZCRGGZAHWAU-UHFFFAOYSA-N 2 2 294.424 0.926 20 0 CCADLP Cc1nc(N[C@H]2CC[N@@H+](C3CC3)C2)nc(N(C)C)[nH+]1 ZINC000532269438 358502731 /nfs/dbraw/zinc/50/27/31/358502731.db2.gz HSXVMZFJZFNJPP-JTQLQIEISA-N 2 2 262.361 0.317 20 0 CCADLP Cc1nc(N[C@H]2CC[N@H+](C3CC3)C2)nc(N(C)C)[nH+]1 ZINC000532269438 358502733 /nfs/dbraw/zinc/50/27/33/358502733.db2.gz HSXVMZFJZFNJPP-JTQLQIEISA-N 2 2 262.361 0.317 20 0 CCADLP C[C@H](C(=O)NCC[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000429406969 235460890 /nfs/dbraw/zinc/46/08/90/235460890.db2.gz PVZSEEIJHPXRTJ-OLZOCXBDSA-N 2 2 269.389 0.213 20 0 CCADLP Cn1ccnc1[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000362380434 138056400 /nfs/dbraw/zinc/05/64/00/138056400.db2.gz YOBAIPBMCYFUEU-KGLIPLIRSA-N 2 2 278.400 0.918 20 0 CCADLP Cc1n[nH]cc1C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000362377024 138056464 /nfs/dbraw/zinc/05/64/64/138056464.db2.gz UCNISABSSZAEAV-HNNXBMFYSA-N 2 2 277.416 0.930 20 0 CCADLP Cc1n[nH]cc1C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000362377024 138056465 /nfs/dbraw/zinc/05/64/65/138056465.db2.gz UCNISABSSZAEAV-HNNXBMFYSA-N 2 2 277.416 0.930 20 0 CCADLP Cn1ccnc1[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000362380433 138056469 /nfs/dbraw/zinc/05/64/69/138056469.db2.gz YOBAIPBMCYFUEU-KBPBESRZSA-N 2 2 278.400 0.918 20 0 CCADLP Cn1ccnc1[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000362380436 138056592 /nfs/dbraw/zinc/05/65/92/138056592.db2.gz YOBAIPBMCYFUEU-ZIAGYGMSSA-N 2 2 278.400 0.918 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000362526521 138062674 /nfs/dbraw/zinc/06/26/74/138062674.db2.gz SAMVWZXCGVZUGU-UTUOFQBUSA-N 2 2 250.346 0.586 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000362526521 138062675 /nfs/dbraw/zinc/06/26/75/138062675.db2.gz SAMVWZXCGVZUGU-UTUOFQBUSA-N 2 2 250.346 0.586 20 0 CCADLP Nc1cccc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362840932 138076958 /nfs/dbraw/zinc/07/69/58/138076958.db2.gz UKBHVQQHQPVJTL-OAHLLOKOSA-N 2 2 288.395 0.665 20 0 CCADLP Nc1cccc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362840932 138076959 /nfs/dbraw/zinc/07/69/59/138076959.db2.gz UKBHVQQHQPVJTL-OAHLLOKOSA-N 2 2 288.395 0.665 20 0 CCADLP Cc1cnc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)o1 ZINC000362836264 138077056 /nfs/dbraw/zinc/07/70/56/138077056.db2.gz FPVQXWORPZRUBV-LBPRGKRZSA-N 2 2 278.356 0.379 20 0 CCADLP Cc1cnc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)o1 ZINC000362836264 138077057 /nfs/dbraw/zinc/07/70/57/138077057.db2.gz FPVQXWORPZRUBV-LBPRGKRZSA-N 2 2 278.356 0.379 20 0 CCADLP CCNC(=O)CC[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000362705730 138070990 /nfs/dbraw/zinc/07/09/90/138070990.db2.gz ZAOTVKQBKRJODJ-CABCVRRESA-N 2 2 296.459 0.470 20 0 CCADLP CCNC(=O)CC[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000362705730 138070991 /nfs/dbraw/zinc/07/09/91/138070991.db2.gz ZAOTVKQBKRJODJ-CABCVRRESA-N 2 2 296.459 0.470 20 0 CCADLP Cc1nc(NCC[N@H+]2CCOC[C@@H]2C)c(C)c(C)[nH+]1 ZINC000354410229 356409473 /nfs/dbraw/zinc/40/94/73/356409473.db2.gz XNYCPOUMQBIVBD-JTQLQIEISA-N 2 2 264.373 0.956 20 0 CCADLP Cc1nc(NCC[N@@H+]2CCOC[C@@H]2C)c(C)c(C)[nH+]1 ZINC000354410229 356409475 /nfs/dbraw/zinc/40/94/75/356409475.db2.gz XNYCPOUMQBIVBD-JTQLQIEISA-N 2 2 264.373 0.956 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](CC(C)C)CC2)C1 ZINC000363262274 138088536 /nfs/dbraw/zinc/08/85/36/138088536.db2.gz ZAUBUNCHGQEPKK-AWEZNQCLSA-N 2 2 283.416 0.507 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](CC(C)C)CC2)C1 ZINC000363262274 138088537 /nfs/dbraw/zinc/08/85/37/138088537.db2.gz ZAUBUNCHGQEPKK-AWEZNQCLSA-N 2 2 283.416 0.507 20 0 CCADLP COC(=O)[C@H](C)CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000354720369 356482836 /nfs/dbraw/zinc/48/28/36/356482836.db2.gz XPZPRVRWNWTKIA-GFCCVEGCSA-N 2 2 299.415 0.328 20 0 CCADLP Cc1ccc(CCC[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c[nH+]1 ZINC000354663658 356468113 /nfs/dbraw/zinc/46/81/13/356468113.db2.gz XYKJPCVDVWWOJN-HNNXBMFYSA-N 3 2 263.385 0.979 20 0 CCADLP Cc1ccc(CCC[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c[nH+]1 ZINC000354663658 356468115 /nfs/dbraw/zinc/46/81/15/356468115.db2.gz XYKJPCVDVWWOJN-HNNXBMFYSA-N 3 2 263.385 0.979 20 0 CCADLP C[C@H](C(=O)N(C)C[C@H]1CC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000354983304 356544122 /nfs/dbraw/zinc/54/41/22/356544122.db2.gz DZRJIOBQEDELFJ-OLZOCXBDSA-N 2 2 269.389 0.117 20 0 CCADLP C[C@H](C(=O)N(C)C[C@H]1CC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000354983304 356544127 /nfs/dbraw/zinc/54/41/27/356544127.db2.gz DZRJIOBQEDELFJ-OLZOCXBDSA-N 2 2 269.389 0.117 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CC2(CS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC000181226956 297282966 /nfs/dbraw/zinc/28/29/66/297282966.db2.gz PJHBTUMLZQLFAD-NEPJUHHUSA-N 2 2 274.430 0.884 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CC2(CS(C)(=O)=O)CC2)CC[N@H+]1C ZINC000181226956 297282969 /nfs/dbraw/zinc/28/29/69/297282969.db2.gz PJHBTUMLZQLFAD-NEPJUHHUSA-N 2 2 274.430 0.884 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157470 363474974 /nfs/dbraw/zinc/47/49/74/363474974.db2.gz SGLYCYRHDNGCDE-QWRGUYRKSA-N 2 2 279.344 0.364 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157470 363474979 /nfs/dbraw/zinc/47/49/79/363474979.db2.gz SGLYCYRHDNGCDE-QWRGUYRKSA-N 2 2 279.344 0.364 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)c1ccc2c[nH+]cn2c1 ZINC000328792377 202060400 /nfs/dbraw/zinc/06/04/00/202060400.db2.gz AFBCGVIZVYZNOP-UHFFFAOYSA-N 2 2 288.351 0.739 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C[NH+](C)C ZINC000355738818 356636028 /nfs/dbraw/zinc/63/60/28/356636028.db2.gz JOUVZWJIXAXEBT-HIFRSBDPSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C[NH+](C)C ZINC000355738818 356636031 /nfs/dbraw/zinc/63/60/31/356636031.db2.gz JOUVZWJIXAXEBT-HIFRSBDPSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC[N@@H+]1CCO ZINC000355945092 356673588 /nfs/dbraw/zinc/67/35/88/356673588.db2.gz SYPWIWKJAUKTJD-CHWSQXEVSA-N 2 2 292.383 0.286 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC[N@H+]1CCO ZINC000355945092 356673589 /nfs/dbraw/zinc/67/35/89/356673589.db2.gz SYPWIWKJAUKTJD-CHWSQXEVSA-N 2 2 292.383 0.286 20 0 CCADLP C[C@@H](CNC(=O)NCC[NH+]1CCOCC1)[N@H+](C)C1CC1 ZINC000356127708 356707904 /nfs/dbraw/zinc/70/79/04/356707904.db2.gz DUHCQYZZEZALFL-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H](CNC(=O)NCC[NH+]1CCOCC1)[N@@H+](C)C1CC1 ZINC000356127708 356707908 /nfs/dbraw/zinc/70/79/08/356707908.db2.gz DUHCQYZZEZALFL-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H](CNC(=O)N(C)CC[NH+]1CCOCC1)[N@H+](C)C1CC1 ZINC000356333481 356747503 /nfs/dbraw/zinc/74/75/03/356747503.db2.gz LBLXFFXBJLMJSJ-CYBMUJFWSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H](CNC(=O)N(C)CC[NH+]1CCOCC1)[N@@H+](C)C1CC1 ZINC000356333481 356747506 /nfs/dbraw/zinc/74/75/06/356747506.db2.gz LBLXFFXBJLMJSJ-CYBMUJFWSA-N 2 2 298.431 0.443 20 0 CCADLP CC(C)CN(C(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000359270607 356790674 /nfs/dbraw/zinc/79/06/74/356790674.db2.gz FMJBKBQBUWSXMK-STQMWFEESA-N 2 2 265.401 0.785 20 0 CCADLP Cc1c[nH+]ccc1NCCCCN1CC[NH+](CCO)CC1 ZINC000359498205 356833377 /nfs/dbraw/zinc/83/33/77/356833377.db2.gz CTDCNUHFSUCESO-UHFFFAOYSA-N 2 2 292.427 0.614 20 0 CCADLP CCOC(=O)c1c[nH+]ccc1N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000359556152 356842867 /nfs/dbraw/zinc/84/28/67/356842867.db2.gz CNEVAOQHCFAIIM-UONOGXRCSA-N 2 2 291.351 0.778 20 0 CCADLP CCOC(=O)c1c[nH+]ccc1N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000359556152 356842870 /nfs/dbraw/zinc/84/28/70/356842870.db2.gz CNEVAOQHCFAIIM-UONOGXRCSA-N 2 2 291.351 0.778 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](CO)c2ccc(F)cc2)CC1 ZINC000359631009 356861471 /nfs/dbraw/zinc/86/14/71/356861471.db2.gz ZCLBYBKXBKVYPO-AWEZNQCLSA-N 2 2 295.358 0.223 20 0 CCADLP C[N@H+](CCc1nnnn1-c1ccccc1)[C@H](C[NH3+])C1CC1 ZINC000359913683 356919177 /nfs/dbraw/zinc/91/91/77/356919177.db2.gz RVASXWUPHHDIIB-CQSZACIVSA-N 2 2 286.383 0.874 20 0 CCADLP C[N@@H+](CCc1nnnn1-c1ccccc1)[C@H](C[NH3+])C1CC1 ZINC000359913683 356919178 /nfs/dbraw/zinc/91/91/78/356919178.db2.gz RVASXWUPHHDIIB-CQSZACIVSA-N 2 2 286.383 0.874 20 0 CCADLP C[C@H](C(=O)NCC[N@H+]1CC[C@H](C)C1)[NH+]1CCSCC1 ZINC000532763760 358513103 /nfs/dbraw/zinc/51/31/03/358513103.db2.gz LACWYGJHBVTVET-QWHCGFSZSA-N 2 2 285.457 0.882 20 0 CCADLP C[N@H+]([C@H](C[NH3+])C1CC1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000360004370 356933976 /nfs/dbraw/zinc/93/39/76/356933976.db2.gz XAAXVOBVDQTGFC-NXEZZACHSA-N 2 2 279.306 0.819 20 0 CCADLP C[N@@H+]([C@H](C[NH3+])C1CC1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000360004370 356933978 /nfs/dbraw/zinc/93/39/78/356933978.db2.gz XAAXVOBVDQTGFC-NXEZZACHSA-N 2 2 279.306 0.819 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H]1CSC[NH2+]1 ZINC000360169478 356963515 /nfs/dbraw/zinc/96/35/15/356963515.db2.gz JIVXUXGSYVRUDF-FBIMIBRVSA-N 2 2 255.387 0.248 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@H]1CSC[NH2+]1 ZINC000360169478 356963517 /nfs/dbraw/zinc/96/35/17/356963517.db2.gz JIVXUXGSYVRUDF-FBIMIBRVSA-N 2 2 255.387 0.248 20 0 CCADLP C[C@H]1CC[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CS1 ZINC000655701539 412646938 /nfs/dbraw/zinc/64/69/38/412646938.db2.gz GVFFYODRHAFADY-NWDGAFQWSA-N 2 2 271.430 0.634 20 0 CCADLP O=C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)NCC1CCC1 ZINC000360551165 357039111 /nfs/dbraw/zinc/03/91/11/357039111.db2.gz KONKPCIMOGGSIS-CQSZACIVSA-N 2 2 251.374 0.588 20 0 CCADLP O=C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)NCC1CCC1 ZINC000360551165 357039114 /nfs/dbraw/zinc/03/91/14/357039114.db2.gz KONKPCIMOGGSIS-CQSZACIVSA-N 2 2 251.374 0.588 20 0 CCADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000362701773 357056315 /nfs/dbraw/zinc/05/63/15/357056315.db2.gz KCEIXWGABLLCOM-MJBXVCDLSA-N 2 2 282.432 0.208 20 0 CCADLP CC[C@H](C(N)=O)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000362701773 357056317 /nfs/dbraw/zinc/05/63/17/357056317.db2.gz KCEIXWGABLLCOM-MJBXVCDLSA-N 2 2 282.432 0.208 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000364203298 357095980 /nfs/dbraw/zinc/09/59/80/357095980.db2.gz WHKYZWCQTVIXQQ-DOMZBBRYSA-N 2 2 281.400 0.213 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000364203298 357095983 /nfs/dbraw/zinc/09/59/83/357095983.db2.gz WHKYZWCQTVIXQQ-DOMZBBRYSA-N 2 2 281.400 0.213 20 0 CCADLP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)N2CCOCC2)CC1 ZINC000365407346 357149660 /nfs/dbraw/zinc/14/96/60/357149660.db2.gz ZWFAOEHRNGSETB-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)N2CCOCC2)CC1 ZINC000365407346 357149663 /nfs/dbraw/zinc/14/96/63/357149663.db2.gz ZWFAOEHRNGSETB-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)C2([NH3+])CCCCC2)CCO1 ZINC000263291046 535355093 /nfs/dbraw/zinc/35/50/93/535355093.db2.gz WJDHCDBAJCPMDK-UHFFFAOYSA-N 2 2 283.416 0.875 20 0 CCADLP Cc1nccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC000366466614 357213493 /nfs/dbraw/zinc/21/34/93/357213493.db2.gz QOJBHOMFUPHGMW-INIZCTEOSA-N 2 2 289.427 0.997 20 0 CCADLP Cc1nccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)n1 ZINC000366466614 357213496 /nfs/dbraw/zinc/21/34/96/357213496.db2.gz QOJBHOMFUPHGMW-INIZCTEOSA-N 2 2 289.427 0.997 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000367850437 357284857 /nfs/dbraw/zinc/28/48/57/357284857.db2.gz QOECKBNZAZTXBU-ZDUSSCGKSA-N 2 2 285.413 0.948 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000367850437 357284859 /nfs/dbraw/zinc/28/48/59/357284859.db2.gz QOECKBNZAZTXBU-ZDUSSCGKSA-N 2 2 285.413 0.948 20 0 CCADLP Nc1nccc([C@@H]2CCC[N@H+](CCn3cc[nH+]c3)C2)n1 ZINC000366990554 357263179 /nfs/dbraw/zinc/26/31/79/357263179.db2.gz UBTDAKPCMUIVFK-GFCCVEGCSA-N 2 2 272.356 0.965 20 0 CCADLP Nc1nccc([C@@H]2CCC[N@@H+](CCn3cc[nH+]c3)C2)n1 ZINC000366990554 357263182 /nfs/dbraw/zinc/26/31/82/357263182.db2.gz UBTDAKPCMUIVFK-GFCCVEGCSA-N 2 2 272.356 0.965 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@](C)(O)C3CC3)C2)CC1 ZINC000367639554 357274934 /nfs/dbraw/zinc/27/49/34/357274934.db2.gz WOHXGXSTVFSXML-CJNGLKHVSA-N 2 2 295.427 0.432 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@](C)(O)C3CC3)C2)CC1 ZINC000367639554 357274938 /nfs/dbraw/zinc/27/49/38/357274938.db2.gz WOHXGXSTVFSXML-CJNGLKHVSA-N 2 2 295.427 0.432 20 0 CCADLP COCCOC[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655729312 412653112 /nfs/dbraw/zinc/65/31/12/412653112.db2.gz JDNYGRROXUFLAX-HIFRSBDPSA-N 2 2 286.416 0.881 20 0 CCADLP NC(=O)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655728897 412653158 /nfs/dbraw/zinc/65/31/58/412653158.db2.gz ZXBBMBNZUYUVNL-VHDGCEQUSA-N 2 2 295.427 0.873 20 0 CCADLP c1nc(N2CC[N@@H+]3CCOC[C@H]3C2)cc(N2CCCC2)[nH+]1 ZINC000375942595 357418221 /nfs/dbraw/zinc/41/82/21/357418221.db2.gz QHBBNBGEDSDAJO-CYBMUJFWSA-N 2 2 289.383 0.598 20 0 CCADLP c1nc(N2CC[N@H+]3CCOC[C@H]3C2)cc(N2CCCC2)[nH+]1 ZINC000375942595 357418226 /nfs/dbraw/zinc/41/82/26/357418226.db2.gz QHBBNBGEDSDAJO-CYBMUJFWSA-N 2 2 289.383 0.598 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)NC2CC2)C1 ZINC000376422476 357466831 /nfs/dbraw/zinc/46/68/31/357466831.db2.gz APKYLNAPACLFFX-LLVKDONJSA-N 2 2 262.357 0.878 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC000376422476 357466834 /nfs/dbraw/zinc/46/68/34/357466834.db2.gz APKYLNAPACLFFX-LLVKDONJSA-N 2 2 262.357 0.878 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cc3n(n2)CCCC3)C1 ZINC000655760427 412656249 /nfs/dbraw/zinc/65/62/49/412656249.db2.gz PZZYIYLIDJUCEV-CQSZACIVSA-N 2 2 264.373 0.376 20 0 CCADLP CCN(CCO)CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655757468 412655697 /nfs/dbraw/zinc/65/56/97/412655697.db2.gz TULGPIIOCUOOLG-HNNXBMFYSA-N 2 2 285.432 0.144 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cc3n(n2)CCCC3)C1 ZINC000655760427 412656253 /nfs/dbraw/zinc/65/62/53/412656253.db2.gz PZZYIYLIDJUCEV-CQSZACIVSA-N 2 2 264.373 0.376 20 0 CCADLP CC1(C)[C@H](O)C[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655756750 412655842 /nfs/dbraw/zinc/65/58/42/412655842.db2.gz XGKYLJHIXNBDMV-MELADBBJSA-N 2 2 268.401 0.989 20 0 CCADLP COCC(COC)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655771646 412657711 /nfs/dbraw/zinc/65/77/11/412657711.db2.gz AFBJTBMDWQJFOR-AWEZNQCLSA-N 2 2 272.389 0.491 20 0 CCADLP CCn1nnc(C)c1C[NH2+]CCC[N@H+](C)CCOC ZINC000449080050 236016556 /nfs/dbraw/zinc/01/65/56/236016556.db2.gz SFXAFDZPTDBGHV-UHFFFAOYSA-N 2 2 269.393 0.664 20 0 CCADLP CCn1nnc(C)c1C[NH2+]CCC[N@@H+](C)CCOC ZINC000449080050 236016559 /nfs/dbraw/zinc/01/65/59/236016559.db2.gz SFXAFDZPTDBGHV-UHFFFAOYSA-N 2 2 269.393 0.664 20 0 CCADLP COCCN1CC[C@@H]([NH2+][C@@H]2CCC[N@H+](CCCO)C2)C1 ZINC000449397114 236033346 /nfs/dbraw/zinc/03/33/46/236033346.db2.gz ODUNVBNSMAHNFA-HUUCEWRRSA-N 2 2 285.432 0.144 20 0 CCADLP COCCN1CC[C@@H]([NH2+][C@@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000449397114 236033349 /nfs/dbraw/zinc/03/33/49/236033349.db2.gz ODUNVBNSMAHNFA-HUUCEWRRSA-N 2 2 285.432 0.144 20 0 CCADLP CC[C@H](C)[C@@H](NC(=O)C[N@H+](C)C1CC([NH3+])C1)C(=O)OC ZINC000384709625 357721900 /nfs/dbraw/zinc/72/19/00/357721900.db2.gz DCSBDLKLAOGUIX-HHISKICNSA-N 2 2 285.388 0.112 20 0 CCADLP CC[C@H](C)[C@@H](NC(=O)C[N@@H+](C)C1CC([NH3+])C1)C(=O)OC ZINC000384709625 357721906 /nfs/dbraw/zinc/72/19/06/357721906.db2.gz DCSBDLKLAOGUIX-HHISKICNSA-N 2 2 285.388 0.112 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)NCCC1CC[NH+](C)CC1 ZINC000378439883 357681806 /nfs/dbraw/zinc/68/18/06/357681806.db2.gz WPCNJRHDWIABIX-CQSZACIVSA-N 2 2 283.416 0.555 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)NCCC1CC[NH+](C)CC1 ZINC000378439883 357681813 /nfs/dbraw/zinc/68/18/13/357681813.db2.gz WPCNJRHDWIABIX-CQSZACIVSA-N 2 2 283.416 0.555 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(SC)CC1 ZINC000385887718 357728912 /nfs/dbraw/zinc/72/89/12/357728912.db2.gz CVJZWAAQKSFXEO-GFCCVEGCSA-N 2 2 276.446 0.753 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(SC)CC1 ZINC000385887718 357728915 /nfs/dbraw/zinc/72/89/15/357728915.db2.gz CVJZWAAQKSFXEO-GFCCVEGCSA-N 2 2 276.446 0.753 20 0 CCADLP COCC1(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CCCC1 ZINC000561217704 291122382 /nfs/dbraw/zinc/12/23/82/291122382.db2.gz HLMMZDXAZJCNFZ-ZDUSSCGKSA-N 2 2 298.431 0.478 20 0 CCADLP COCC1(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CCCC1 ZINC000561217704 291122384 /nfs/dbraw/zinc/12/23/84/291122384.db2.gz HLMMZDXAZJCNFZ-ZDUSSCGKSA-N 2 2 298.431 0.478 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000452016182 236212736 /nfs/dbraw/zinc/21/27/36/236212736.db2.gz OUZFLMSMEBHAGL-CYBMUJFWSA-N 2 2 279.388 0.927 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000452016182 236212738 /nfs/dbraw/zinc/21/27/38/236212738.db2.gz OUZFLMSMEBHAGL-CYBMUJFWSA-N 2 2 279.388 0.927 20 0 CCADLP C[C@H]1C[C@H]([NH+](C)CCN2CCOCC2)CC[N@@H+]1C ZINC000336711428 291124951 /nfs/dbraw/zinc/12/49/51/291124951.db2.gz NKACBLSNGGOGGZ-UONOGXRCSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@H]1C[C@H]([NH+](C)CCN2CCOCC2)CC[N@H+]1C ZINC000336711428 291124955 /nfs/dbraw/zinc/12/49/55/291124955.db2.gz NKACBLSNGGOGGZ-UONOGXRCSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@H]1C[C@H]([N@H+](C)CCN2CCOCC2)CC[NH+]1C ZINC000336711428 291124957 /nfs/dbraw/zinc/12/49/57/291124957.db2.gz NKACBLSNGGOGGZ-UONOGXRCSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@H]1C[C@H]([N@@H+](C)CCN2CCOCC2)CC[NH+]1C ZINC000336711428 291124961 /nfs/dbraw/zinc/12/49/61/291124961.db2.gz NKACBLSNGGOGGZ-UONOGXRCSA-N 2 2 255.406 0.733 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)[C@H](C)[NH+]2CC(C)C2)C[C@@H]1C ZINC000561247345 291123591 /nfs/dbraw/zinc/12/35/91/291123591.db2.gz WFCUFKASIPCQRD-KBPBESRZSA-N 2 2 283.416 0.506 20 0 CCADLP COCC[N@H+]1CCN(C(=O)[C@H](C)[NH+]2CC(C)C2)C[C@@H]1C ZINC000561247345 291123594 /nfs/dbraw/zinc/12/35/94/291123594.db2.gz WFCUFKASIPCQRD-KBPBESRZSA-N 2 2 283.416 0.506 20 0 CCADLP CNC(=O)CN1CCC[N@H+](CC[C@H]2CCC[NH+]2C)CC1 ZINC000371324894 283319280 /nfs/dbraw/zinc/31/92/80/283319280.db2.gz ATPWUVKHMAYMGI-CQSZACIVSA-N 2 2 282.432 0.224 20 0 CCADLP CNC(=O)CN1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)CC1 ZINC000371324894 283319283 /nfs/dbraw/zinc/31/92/83/283319283.db2.gz ATPWUVKHMAYMGI-CQSZACIVSA-N 2 2 282.432 0.224 20 0 CCADLP CNC(=O)CN1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000371324894 283319285 /nfs/dbraw/zinc/31/92/85/283319285.db2.gz ATPWUVKHMAYMGI-CQSZACIVSA-N 2 2 282.432 0.224 20 0 CCADLP CNC(=O)CN1CCC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000371324894 283319289 /nfs/dbraw/zinc/31/92/89/283319289.db2.gz ATPWUVKHMAYMGI-CQSZACIVSA-N 2 2 282.432 0.224 20 0 CCADLP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)CO2 ZINC000453105968 236273259 /nfs/dbraw/zinc/27/32/59/236273259.db2.gz XTWHFRDEKRCXFZ-QWHCGFSZSA-N 2 2 280.368 0.511 20 0 CCADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)[C@@H]1CCCO1 ZINC000453258611 236274654 /nfs/dbraw/zinc/27/46/54/236274654.db2.gz HYUQFWSMDCSJNU-MJBXVCDLSA-N 2 2 256.390 0.990 20 0 CCADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)[C@@H]1CCCO1 ZINC000453258611 236274656 /nfs/dbraw/zinc/27/46/56/236274656.db2.gz HYUQFWSMDCSJNU-MJBXVCDLSA-N 2 2 256.390 0.990 20 0 CCADLP C[C@@H](C[NH2+]C1CCC2(CC1)NC(=O)NC2=O)[N@H+](C)C1CC1 ZINC000561476144 291130172 /nfs/dbraw/zinc/13/01/72/291130172.db2.gz MMDQYCMBERBJKK-NLTNOIMHSA-N 2 2 294.399 0.580 20 0 CCADLP C[C@@H](C[NH2+]C1CCC2(CC1)NC(=O)NC2=O)[N@@H+](C)C1CC1 ZINC000561476144 291130175 /nfs/dbraw/zinc/13/01/75/291130175.db2.gz MMDQYCMBERBJKK-NLTNOIMHSA-N 2 2 294.399 0.580 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000455031134 236320991 /nfs/dbraw/zinc/32/09/91/236320991.db2.gz GDYOQXNWTHBAEJ-CYBMUJFWSA-N 2 2 292.383 0.780 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000455031134 236320994 /nfs/dbraw/zinc/32/09/94/236320994.db2.gz GDYOQXNWTHBAEJ-CYBMUJFWSA-N 2 2 292.383 0.780 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000418596069 358161800 /nfs/dbraw/zinc/16/18/00/358161800.db2.gz BMLGRCSFZQDKPA-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)C[NH+]1CCOCC1 ZINC000422765844 358192703 /nfs/dbraw/zinc/19/27/03/358192703.db2.gz PLFILDQYYJKIAL-ILXRZTDVSA-N 3 2 269.433 0.932 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000423110280 358196162 /nfs/dbraw/zinc/19/61/62/358196162.db2.gz VLJSQMMLTJDMHC-UONOGXRCSA-N 3 2 268.449 0.600 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000423110280 358196164 /nfs/dbraw/zinc/19/61/64/358196164.db2.gz VLJSQMMLTJDMHC-UONOGXRCSA-N 3 2 268.449 0.600 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000423371717 358200180 /nfs/dbraw/zinc/20/01/80/358200180.db2.gz HUOYZWRLFHGYMZ-CHWSQXEVSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000423371717 358200184 /nfs/dbraw/zinc/20/01/84/358200184.db2.gz HUOYZWRLFHGYMZ-CHWSQXEVSA-N 2 2 283.416 0.602 20 0 CCADLP 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COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CCCC[NH3+])C1 ZINC000569925676 358805969 /nfs/dbraw/zinc/80/59/69/358805969.db2.gz QGWPUCDOFWAPEC-GFCCVEGCSA-N 2 2 285.388 0.117 20 0 CCADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)CCCC[NH3+])C1 ZINC000569925676 358805970 /nfs/dbraw/zinc/80/59/70/358805970.db2.gz QGWPUCDOFWAPEC-GFCCVEGCSA-N 2 2 285.388 0.117 20 0 CCADLP CC(C)OCC[C@H](O)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000570325454 358845166 /nfs/dbraw/zinc/84/51/66/358845166.db2.gz KNVXCMIUQSDPTG-STQMWFEESA-N 2 2 267.373 0.964 20 0 CCADLP CC[C@H](COC)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000570391334 358851705 /nfs/dbraw/zinc/85/17/05/358851705.db2.gz XPWFZPVVJKSRLZ-XJFOESAGSA-N 2 2 274.405 0.471 20 0 CCADLP CC[C@H](COC)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000570391334 358851711 /nfs/dbraw/zinc/85/17/11/358851711.db2.gz XPWFZPVVJKSRLZ-XJFOESAGSA-N 2 2 274.405 0.471 20 0 CCADLP CCOC[C@H](O)C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000570625637 358875967 /nfs/dbraw/zinc/87/59/67/358875967.db2.gz DIBMKVNDSZRLNN-CYBMUJFWSA-N 2 2 263.341 0.864 20 0 CCADLP C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000570681246 358883963 /nfs/dbraw/zinc/88/39/63/358883963.db2.gz KCTOHBFMOLYTGS-NSHDSACASA-N 2 2 286.339 0.486 20 0 CCADLP Cc1cc(C)c(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c(=O)[nH]1 ZINC000571012951 358902696 /nfs/dbraw/zinc/90/26/96/358902696.db2.gz YFHMDGYMJXZDHV-ZDUSSCGKSA-N 2 2 279.384 0.949 20 0 CCADLP Cc1cc(C)c(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)c(=O)[nH]1 ZINC000571012951 358902700 /nfs/dbraw/zinc/90/27/00/358902700.db2.gz YFHMDGYMJXZDHV-ZDUSSCGKSA-N 2 2 279.384 0.949 20 0 CCADLP [NH3+]Cc1noc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000573564139 358979119 /nfs/dbraw/zinc/97/91/19/358979119.db2.gz PLAULSQNJLDDOC-UHFFFAOYSA-N 2 2 287.367 0.846 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCc2ccco2)[C@H](C[NH3+])C1 ZINC000573188603 358945072 /nfs/dbraw/zinc/94/50/72/358945072.db2.gz GIKJFPZZEWCSTG-SNVBAGLBSA-N 2 2 252.318 0.064 20 0 CCADLP C[N@H+]1CCN(C(=O)NCc2ccco2)[C@H](C[NH3+])C1 ZINC000573188603 358945076 /nfs/dbraw/zinc/94/50/76/358945076.db2.gz GIKJFPZZEWCSTG-SNVBAGLBSA-N 2 2 252.318 0.064 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H](CC(N)=O)c1ccccc1 ZINC000579974320 359071983 /nfs/dbraw/zinc/07/19/83/359071983.db2.gz BWTOSIOFUIRLNF-LSDHHAIUSA-N 2 2 293.411 0.848 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](CC(N)=O)c1ccccc1 ZINC000579974320 359071987 /nfs/dbraw/zinc/07/19/87/359071987.db2.gz BWTOSIOFUIRLNF-LSDHHAIUSA-N 2 2 293.411 0.848 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H](CC(N)=O)c1ccccc1 ZINC000579974320 359071991 /nfs/dbraw/zinc/07/19/91/359071991.db2.gz BWTOSIOFUIRLNF-LSDHHAIUSA-N 2 2 293.411 0.848 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](CC(N)=O)c1ccccc1 ZINC000579974320 359071994 /nfs/dbraw/zinc/07/19/94/359071994.db2.gz BWTOSIOFUIRLNF-LSDHHAIUSA-N 2 2 293.411 0.848 20 0 CCADLP Cc1nn(C(C)C)cc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000582371199 359140997 /nfs/dbraw/zinc/14/09/97/359140997.db2.gz QMBUJOWECDQNFQ-UONOGXRCSA-N 2 2 291.399 0.516 20 0 CCADLP Cc1nn(C(C)C)cc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000582371199 359141001 /nfs/dbraw/zinc/14/10/01/359141001.db2.gz QMBUJOWECDQNFQ-UONOGXRCSA-N 2 2 291.399 0.516 20 0 CCADLP O=C(CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)N1CCCCC1 ZINC000562958932 291175380 /nfs/dbraw/zinc/17/53/80/291175380.db2.gz XQNQJDDNRILSBQ-ZBFHGGJFSA-N 2 2 295.427 0.746 20 0 CCADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000588692386 359331902 /nfs/dbraw/zinc/33/19/02/359331902.db2.gz WYHGCQIRHLXBIL-IXDOHACOSA-N 3 2 289.423 0.631 20 0 CCADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000588692386 359331906 /nfs/dbraw/zinc/33/19/06/359331906.db2.gz WYHGCQIRHLXBIL-IXDOHACOSA-N 3 2 289.423 0.631 20 0 CCADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000588692386 359331917 /nfs/dbraw/zinc/33/19/17/359331917.db2.gz WYHGCQIRHLXBIL-IXDOHACOSA-N 3 2 289.423 0.631 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COC(C)C ZINC000562983686 291178274 /nfs/dbraw/zinc/17/82/74/291178274.db2.gz DMGGMLHWVLGOOT-ZIAGYGMSSA-N 2 2 274.405 0.473 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COC(C)C ZINC000562983686 291178275 /nfs/dbraw/zinc/17/82/75/291178275.db2.gz DMGGMLHWVLGOOT-ZIAGYGMSSA-N 2 2 274.405 0.473 20 0 CCADLP CSC[C@@H](O)C[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000562994070 291179449 /nfs/dbraw/zinc/17/94/49/291179449.db2.gz UQVSGYKEURFLFC-RYUDHWBXSA-N 2 2 262.419 0.268 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@](C)(C(=O)OC)C1 ZINC000590603460 359497537 /nfs/dbraw/zinc/49/75/37/359497537.db2.gz NFHKJMHUCCUATR-WCQYABFASA-N 2 2 258.362 0.184 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@](C)(C(=O)OC)C1 ZINC000590603460 359497541 /nfs/dbraw/zinc/49/75/41/359497541.db2.gz NFHKJMHUCCUATR-WCQYABFASA-N 2 2 258.362 0.184 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@](C)(C(=O)OC)C1 ZINC000590603460 359497545 /nfs/dbraw/zinc/49/75/45/359497545.db2.gz NFHKJMHUCCUATR-WCQYABFASA-N 2 2 258.362 0.184 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@](C)(C(=O)OC)C1 ZINC000590603460 359497550 /nfs/dbraw/zinc/49/75/50/359497550.db2.gz NFHKJMHUCCUATR-WCQYABFASA-N 2 2 258.362 0.184 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N[C@@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000591571221 359600083 /nfs/dbraw/zinc/60/00/83/359600083.db2.gz FQNVRHDUQUNPDZ-BFHYXJOUSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000591571221 359600086 /nfs/dbraw/zinc/60/00/86/359600086.db2.gz FQNVRHDUQUNPDZ-BFHYXJOUSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](CNC(=O)C=Cc1c[nH]c[nH+]1)C[NH+]1CCOCC1 ZINC000492872929 237328334 /nfs/dbraw/zinc/32/83/34/237328334.db2.gz ZPEJTNDGGWPXMW-ZZKXABKFSA-N 2 2 278.356 0.507 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](CCc2c[nH+]cn2C)C[C@H]1C ZINC000297351927 200159083 /nfs/dbraw/zinc/15/90/83/200159083.db2.gz FGCQYOURVOLJIC-ZYHUDNBSSA-N 2 2 251.330 0.704 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)C[C@H]1C ZINC000297351927 200159085 /nfs/dbraw/zinc/15/90/85/200159085.db2.gz FGCQYOURVOLJIC-ZYHUDNBSSA-N 2 2 251.330 0.704 20 0 CCADLP COCC[N@@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000592094852 359753782 /nfs/dbraw/zinc/75/37/82/359753782.db2.gz JAISEMMBDBHDCJ-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP COCC[N@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000592094852 359753792 /nfs/dbraw/zinc/75/37/92/359753792.db2.gz JAISEMMBDBHDCJ-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCN(C)CC(F)(F)F ZINC000422701406 296000824 /nfs/dbraw/zinc/00/08/24/296000824.db2.gz BUTXQQTXIRGTER-WDEREUQCSA-N 2 2 283.338 0.837 20 0 CCADLP C[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000620771651 366564726 /nfs/dbraw/zinc/56/47/26/366564726.db2.gz YMXKAXJZOWDHGQ-CQSZACIVSA-N 2 2 261.369 0.939 20 0 CCADLP C[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000620771651 366564731 /nfs/dbraw/zinc/56/47/31/366564731.db2.gz YMXKAXJZOWDHGQ-CQSZACIVSA-N 2 2 261.369 0.939 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471300 359849918 /nfs/dbraw/zinc/84/99/18/359849918.db2.gz TWADWRYLYXVUFR-UHFFFAOYSA-N 2 2 268.361 0.049 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471300 359849921 /nfs/dbraw/zinc/84/99/21/359849921.db2.gz TWADWRYLYXVUFR-UHFFFAOYSA-N 2 2 268.361 0.049 20 0 CCADLP C[C@H]1OCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)[C@H]1C ZINC000155989748 291204786 /nfs/dbraw/zinc/20/47/86/291204786.db2.gz SNFOMJCHDUWGOY-QWHCGFSZSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@H]1OCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)[C@H]1C ZINC000155989748 291204790 /nfs/dbraw/zinc/20/47/90/291204790.db2.gz SNFOMJCHDUWGOY-QWHCGFSZSA-N 2 2 295.427 0.839 20 0 CCADLP COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000592494397 359859051 /nfs/dbraw/zinc/85/90/51/359859051.db2.gz TVYDEEXGMTYWSY-CYBMUJFWSA-N 2 2 297.399 0.130 20 0 CCADLP COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000592494397 359859055 /nfs/dbraw/zinc/85/90/55/359859055.db2.gz TVYDEEXGMTYWSY-CYBMUJFWSA-N 2 2 297.399 0.130 20 0 CCADLP CCN1CC[NH+]([C@H]2CCN(C(=O)CCC(C)(C)[NH3+])C2)CC1 ZINC000592559339 359889033 /nfs/dbraw/zinc/88/90/33/359889033.db2.gz MKJSJTMCZXCFJJ-AWEZNQCLSA-N 2 2 296.459 0.742 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000297956666 200308328 /nfs/dbraw/zinc/30/83/28/200308328.db2.gz WEIQQTZQNKDKFS-CQSZACIVSA-N 2 2 291.399 0.191 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000297956666 200308330 /nfs/dbraw/zinc/30/83/30/200308330.db2.gz WEIQQTZQNKDKFS-CQSZACIVSA-N 2 2 291.399 0.191 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC[NH2+]1 ZINC000621156009 366656331 /nfs/dbraw/zinc/65/63/31/366656331.db2.gz QVGKEYZSAQISIU-GXTWGEPZSA-N 2 2 276.384 0.902 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2nccn2C)C1 ZINC000563350086 291215302 /nfs/dbraw/zinc/21/53/02/291215302.db2.gz KUGXVGQRNWGELS-CHWSQXEVSA-N 2 2 266.389 0.522 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2nccn2C)C1 ZINC000563350086 291215303 /nfs/dbraw/zinc/21/53/03/291215303.db2.gz KUGXVGQRNWGELS-CHWSQXEVSA-N 2 2 266.389 0.522 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000563350086 291215305 /nfs/dbraw/zinc/21/53/05/291215305.db2.gz KUGXVGQRNWGELS-CHWSQXEVSA-N 2 2 266.389 0.522 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000563350086 291215306 /nfs/dbraw/zinc/21/53/06/291215306.db2.gz KUGXVGQRNWGELS-CHWSQXEVSA-N 2 2 266.389 0.522 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2nccn2C)C1 ZINC000563350089 291215489 /nfs/dbraw/zinc/21/54/89/291215489.db2.gz KUGXVGQRNWGELS-QWHCGFSZSA-N 2 2 266.389 0.522 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2nccn2C)C1 ZINC000563350089 291215490 /nfs/dbraw/zinc/21/54/90/291215490.db2.gz KUGXVGQRNWGELS-QWHCGFSZSA-N 2 2 266.389 0.522 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000563350089 291215492 /nfs/dbraw/zinc/21/54/92/291215492.db2.gz KUGXVGQRNWGELS-QWHCGFSZSA-N 2 2 266.389 0.522 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000563350089 291215493 /nfs/dbraw/zinc/21/54/93/291215493.db2.gz KUGXVGQRNWGELS-QWHCGFSZSA-N 2 2 266.389 0.522 20 0 CCADLP COC(=O)[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)CC(C)C ZINC000593909247 360205013 /nfs/dbraw/zinc/20/50/13/360205013.db2.gz IXDXULDINOJSKY-NEPJUHHUSA-N 2 2 287.404 0.217 20 0 CCADLP CCOC(=O)[C@H]1CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000593907504 360203982 /nfs/dbraw/zinc/20/39/82/360203982.db2.gz QVZIZRHPAOWXKL-RYUDHWBXSA-N 2 2 285.388 0.067 20 0 CCADLP COC(=O)[C@@H](CC(C)(C)C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593906844 360204292 /nfs/dbraw/zinc/20/42/92/360204292.db2.gz LGVJCFGEGMFQSR-GHMZBOCLSA-N 2 2 287.404 0.359 20 0 CCADLP CNC(=O)CC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177110352 189029138 /nfs/dbraw/zinc/02/91/38/189029138.db2.gz WECJRHKQZGAKEO-UHFFFAOYSA-N 2 2 273.340 0.835 20 0 CCADLP CNC(=O)CC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177110352 189029139 /nfs/dbraw/zinc/02/91/39/189029139.db2.gz WECJRHKQZGAKEO-UHFFFAOYSA-N 2 2 273.340 0.835 20 0 CCADLP CSC[C@H](CCO)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000594495174 360323609 /nfs/dbraw/zinc/32/36/09/360323609.db2.gz MYUIOPKVLFIRTQ-KBPBESRZSA-N 2 2 288.457 0.943 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3cccc(O)c3)CCN2C1=O ZINC000594737001 360370601 /nfs/dbraw/zinc/37/06/01/360370601.db2.gz VMXCICGCJMDTPT-DGCLKSJQSA-N 2 2 261.325 0.136 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3cccc(O)c3)CCN2C1=O ZINC000594737001 360370607 /nfs/dbraw/zinc/37/06/07/360370607.db2.gz VMXCICGCJMDTPT-DGCLKSJQSA-N 2 2 261.325 0.136 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000595148521 360445167 /nfs/dbraw/zinc/44/51/67/360445167.db2.gz YBXLUXPXSVIQTD-UONOGXRCSA-N 2 2 293.415 0.625 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000595148521 360445175 /nfs/dbraw/zinc/44/51/75/360445175.db2.gz YBXLUXPXSVIQTD-UONOGXRCSA-N 2 2 293.415 0.625 20 0 CCADLP Cc1ccc2[nH+]c(CN3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)cn2c1 ZINC000594875161 360406150 /nfs/dbraw/zinc/40/61/50/360406150.db2.gz ZFCVSJWBHBIOBD-KBPBESRZSA-N 2 2 299.378 0.387 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000594940427 360421942 /nfs/dbraw/zinc/42/19/42/360421942.db2.gz CFGNGQZPXMGROC-AAVRWANBSA-N 2 2 284.400 0.620 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000594940427 360421945 /nfs/dbraw/zinc/42/19/45/360421945.db2.gz CFGNGQZPXMGROC-AAVRWANBSA-N 2 2 284.400 0.620 20 0 CCADLP CC[N@H+](CCO)CC[NH2+][C@H](C)[C@H]1C[C@H]1C(=O)OC ZINC000594946603 360423675 /nfs/dbraw/zinc/42/36/75/360423675.db2.gz QLLXMWPIPHIBTK-IJLUTSLNSA-N 2 2 258.362 0.088 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+][C@H](C)[C@H]1C[C@H]1C(=O)OC ZINC000594946603 360423682 /nfs/dbraw/zinc/42/36/82/360423682.db2.gz QLLXMWPIPHIBTK-IJLUTSLNSA-N 2 2 258.362 0.088 20 0 CCADLP COC(=O)[C@@](C)(CO)[NH2+]CCCn1cc[nH+]c1C ZINC000595532278 360568567 /nfs/dbraw/zinc/56/85/67/360568567.db2.gz QCTNHAZQORHBKJ-GFCCVEGCSA-N 2 2 255.318 0.095 20 0 CCADLP COC[C@]1(C(=O)OC)CCC[N@@H+]1CCn1cc[nH+]c1C ZINC000595804158 360659246 /nfs/dbraw/zinc/65/92/46/360659246.db2.gz CGQASIOYUSKLAN-AWEZNQCLSA-N 2 2 281.356 0.846 20 0 CCADLP COC[C@]1(C(=O)OC)CCC[N@H+]1CCn1cc[nH+]c1C ZINC000595804158 360659249 /nfs/dbraw/zinc/65/92/49/360659249.db2.gz CGQASIOYUSKLAN-AWEZNQCLSA-N 2 2 281.356 0.846 20 0 CCADLP C[C@@H]([NH3+])CN1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000442659522 296020156 /nfs/dbraw/zinc/02/01/56/296020156.db2.gz KXBFFTVRZMKZPE-CHWSQXEVSA-N 2 2 282.432 0.399 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000178861574 283575581 /nfs/dbraw/zinc/57/55/81/283575581.db2.gz RNFFBEUSRGQZRL-YNEHKIRRSA-N 2 2 269.389 0.021 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C[NH2+]C(C)C)C[C@@H]1C ZINC000595958408 360734643 /nfs/dbraw/zinc/73/46/43/360734643.db2.gz ZVKPDWSKUVMGRJ-LBPRGKRZSA-N 2 2 285.388 0.080 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)C[NH2+]C(C)C)C[C@@H]1C ZINC000595958408 360734647 /nfs/dbraw/zinc/73/46/47/360734647.db2.gz ZVKPDWSKUVMGRJ-LBPRGKRZSA-N 2 2 285.388 0.080 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000192109483 296021498 /nfs/dbraw/zinc/02/14/98/296021498.db2.gz JEXOZRKYIJBJEJ-GHMZBOCLSA-N 2 2 257.378 0.197 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000192109483 296021499 /nfs/dbraw/zinc/02/14/99/296021499.db2.gz JEXOZRKYIJBJEJ-GHMZBOCLSA-N 2 2 257.378 0.197 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C[C@@H]1C ZINC000493519549 238187882 /nfs/dbraw/zinc/18/78/82/238187882.db2.gz JHKZTQYTUMSIFP-PCAWENJQSA-N 2 2 278.356 0.602 20 0 CCADLP COCC[N@H+]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C[C@@H]1C ZINC000493519549 238187887 /nfs/dbraw/zinc/18/78/87/238187887.db2.gz JHKZTQYTUMSIFP-PCAWENJQSA-N 2 2 278.356 0.602 20 0 CCADLP O=C(/C=C/c1[nH]cc[nH+]1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000493577091 238214812 /nfs/dbraw/zinc/21/48/12/238214812.db2.gz FKIDVGGYTBYJIH-ZYOFXKKJSA-N 2 2 278.356 0.386 20 0 CCADLP O=C(/C=C/c1[nH]cc[nH+]1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000493577091 238214819 /nfs/dbraw/zinc/21/48/19/238214819.db2.gz FKIDVGGYTBYJIH-ZYOFXKKJSA-N 2 2 278.356 0.386 20 0 CCADLP Cc1ncsc1CCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000563604544 291241296 /nfs/dbraw/zinc/24/12/96/291241296.db2.gz VVCGUBCVVWMQBE-NSHDSACASA-N 2 2 297.428 0.278 20 0 CCADLP Cc1ncsc1CCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000563604544 291241297 /nfs/dbraw/zinc/24/12/97/291241297.db2.gz VVCGUBCVVWMQBE-NSHDSACASA-N 2 2 297.428 0.278 20 0 CCADLP COC(=O)[C@@H]1OCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000597186508 361027121 /nfs/dbraw/zinc/02/71/21/361027121.db2.gz HEHULZYLOUMKBE-HZSPNIEDSA-N 2 2 298.383 0.160 20 0 CCADLP CCOCCNC(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000181093467 189288461 /nfs/dbraw/zinc/28/84/61/189288461.db2.gz BQWHTKPFPXYYFQ-UHFFFAOYSA-N 2 2 268.361 0.358 20 0 CCADLP CCOCCNC(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181093467 189288462 /nfs/dbraw/zinc/28/84/62/189288462.db2.gz BQWHTKPFPXYYFQ-UHFFFAOYSA-N 2 2 268.361 0.358 20 0 CCADLP C[C@@H](NC(=O)C(C)(C)C[NH3+])[C@@H](C)[NH+]1CCOCC1 ZINC000167688784 296038206 /nfs/dbraw/zinc/03/82/06/296038206.db2.gz MFGCLZPDOVCTJU-GHMZBOCLSA-N 2 2 257.378 0.197 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)CC1 ZINC000621362814 366749419 /nfs/dbraw/zinc/74/94/19/366749419.db2.gz AISLFHDPEUMING-QLFBSQMISA-N 2 2 297.443 0.489 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@@H](CO)C2)CC1 ZINC000621362814 366749421 /nfs/dbraw/zinc/74/94/21/366749421.db2.gz AISLFHDPEUMING-QLFBSQMISA-N 2 2 297.443 0.489 20 0 CCADLP CNC(=O)[C@@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000183187235 189349784 /nfs/dbraw/zinc/34/97/84/189349784.db2.gz MWKRQHOACOYTQT-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP CNC(=O)[C@@H]1CCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000183187235 189349785 /nfs/dbraw/zinc/34/97/85/189349785.db2.gz MWKRQHOACOYTQT-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP C[C@H](CNc1nc(N(C)C)cc[nH+]1)N1CC[NH+](C)CC1 ZINC000301707167 201150079 /nfs/dbraw/zinc/15/00/79/201150079.db2.gz BYAMYPBORPRFQE-GFCCVEGCSA-N 2 2 278.404 0.590 20 0 CCADLP C[N@@H+]1CCN(C(=O)C[C@@H]([NH3+])Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000564309011 291273628 /nfs/dbraw/zinc/27/36/28/291273628.db2.gz YRMRPATZWZFJNG-GJZGRUSLSA-N 3 2 290.411 0.048 20 0 CCADLP C[N@H+]1CCN(C(=O)C[C@@H]([NH3+])Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000564309011 291273631 /nfs/dbraw/zinc/27/36/31/291273631.db2.gz YRMRPATZWZFJNG-GJZGRUSLSA-N 3 2 290.411 0.048 20 0 CCADLP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000598990716 361546886 /nfs/dbraw/zinc/54/68/86/361546886.db2.gz RQWWWZYGORGDPD-RVMXOQNASA-N 2 2 297.399 0.113 20 0 CCADLP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000598990716 361546889 /nfs/dbraw/zinc/54/68/89/361546889.db2.gz RQWWWZYGORGDPD-RVMXOQNASA-N 2 2 297.399 0.113 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000598990714 361547402 /nfs/dbraw/zinc/54/74/02/361547402.db2.gz RQWWWZYGORGDPD-LOWDOPEQSA-N 2 2 297.399 0.113 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000598990714 361547404 /nfs/dbraw/zinc/54/74/04/361547404.db2.gz RQWWWZYGORGDPD-LOWDOPEQSA-N 2 2 297.399 0.113 20 0 CCADLP C(C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)[C@H]1CC[NH2+]C1 ZINC000564458294 291281331 /nfs/dbraw/zinc/28/13/31/291281331.db2.gz QZWHIZNTHVDUOV-HUUCEWRRSA-N 3 2 267.417 0.640 20 0 CCADLP C(C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)[C@H]1CC[NH2+]C1 ZINC000564458294 291281332 /nfs/dbraw/zinc/28/13/32/291281332.db2.gz QZWHIZNTHVDUOV-HUUCEWRRSA-N 3 2 267.417 0.640 20 0 CCADLP CCOC(=O)C[C@@H](O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000599288810 361635047 /nfs/dbraw/zinc/63/50/47/361635047.db2.gz WWPGMHZWXBAJNS-QWHCGFSZSA-N 2 2 281.356 0.834 20 0 CCADLP CCOC(=O)C[C@@H](O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000599288810 361635052 /nfs/dbraw/zinc/63/50/52/361635052.db2.gz WWPGMHZWXBAJNS-QWHCGFSZSA-N 2 2 281.356 0.834 20 0 CCADLP C[C@@H](NC(=O)N(C)C1CC([NH3+])C1)[C@H](C)[NH+]1CCOCC1 ZINC000331406579 296052844 /nfs/dbraw/zinc/05/28/44/296052844.db2.gz INTDWMFALUPVAZ-IALDZJHCSA-N 2 2 284.404 0.227 20 0 CCADLP O=C([C@@H]1C[NH2+]CCO1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000431045089 296055332 /nfs/dbraw/zinc/05/53/32/296055332.db2.gz MOUKXBHUPHFKRD-NSHDSACASA-N 2 2 264.329 0.104 20 0 CCADLP C[C@H](NC(=O)N[C@@]1(C)CC[NH2+]C1)c1[nH+]ccn1C ZINC000612929184 364048722 /nfs/dbraw/zinc/04/87/22/364048722.db2.gz FOVPXPIAAOSGOS-CABZTGNLSA-N 2 2 251.334 0.532 20 0 CCADLP C[C@@H]1C[N@@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C[C@H]1C[NH3+] ZINC000631839942 370706413 /nfs/dbraw/zinc/70/64/13/370706413.db2.gz MZSUJHRGQPNADM-BBBLOLIVSA-N 2 2 279.306 0.676 20 0 CCADLP C[C@@H]1C[N@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C[C@H]1C[NH3+] ZINC000631839942 370706415 /nfs/dbraw/zinc/70/64/15/370706415.db2.gz MZSUJHRGQPNADM-BBBLOLIVSA-N 2 2 279.306 0.676 20 0 CCADLP CO[C@H](C)c1noc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000631841204 370708566 /nfs/dbraw/zinc/70/85/66/370708566.db2.gz ZPUKLGLQUCJVRH-OPRDCNLKSA-N 2 2 254.334 0.804 20 0 CCADLP CO[C@H](C)c1noc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000631841204 370708575 /nfs/dbraw/zinc/70/85/75/370708575.db2.gz ZPUKLGLQUCJVRH-OPRDCNLKSA-N 2 2 254.334 0.804 20 0 CCADLP C[C@@H](C(=O)Nc1ncccn1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631844342 370710943 /nfs/dbraw/zinc/71/09/43/370710943.db2.gz WNGQCRDUGRBXRX-OUAUKWLOSA-N 2 2 263.345 0.330 20 0 CCADLP C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631844342 370710946 /nfs/dbraw/zinc/71/09/46/370710946.db2.gz WNGQCRDUGRBXRX-OUAUKWLOSA-N 2 2 263.345 0.330 20 0 CCADLP CC(C)N1CC[C@@H]([NH+]2CCC([NH2+]CCO)CC2)C1=O ZINC000631864228 370725095 /nfs/dbraw/zinc/72/50/95/370725095.db2.gz KLTAKMWWTJYYJN-CYBMUJFWSA-N 2 2 269.389 0.042 20 0 CCADLP CN(CC1CC1)C(=O)C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631867376 370727325 /nfs/dbraw/zinc/72/73/25/370727325.db2.gz SFUYRCNWCWBGLQ-OCCSQVGLSA-N 2 2 251.374 0.587 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)NCc1cccnc1 ZINC000631889331 370737538 /nfs/dbraw/zinc/73/75/38/370737538.db2.gz IXVIVLTUIXFHRG-CABCVRRESA-N 2 2 288.395 0.772 20 0 CCADLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)NCc1cccnc1 ZINC000631889331 370737544 /nfs/dbraw/zinc/73/75/44/370737544.db2.gz IXVIVLTUIXFHRG-CABCVRRESA-N 2 2 288.395 0.772 20 0 CCADLP CCCCNC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631886735 370738707 /nfs/dbraw/zinc/73/87/07/370738707.db2.gz LXPJLBTWTAPHGC-QWHCGFSZSA-N 2 2 253.390 0.977 20 0 CCADLP CCCCNC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631886735 370738713 /nfs/dbraw/zinc/73/87/13/370738713.db2.gz LXPJLBTWTAPHGC-QWHCGFSZSA-N 2 2 253.390 0.977 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]CC1(O)CCCC1 ZINC000564845633 291306220 /nfs/dbraw/zinc/30/62/20/291306220.db2.gz ZRBAGYIILBBGGD-CYBMUJFWSA-N 2 2 256.390 0.992 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]CC1(O)CCCC1 ZINC000564845633 291306221 /nfs/dbraw/zinc/30/62/21/291306221.db2.gz ZRBAGYIILBBGGD-CYBMUJFWSA-N 2 2 256.390 0.992 20 0 CCADLP O[C@H](C[NH2+]Cc1ccn2cc[nH+]c2c1)Cn1cccn1 ZINC000564852733 291307187 /nfs/dbraw/zinc/30/71/87/291307187.db2.gz OUCOUOQRTXDMIP-CYBMUJFWSA-N 2 2 271.324 0.682 20 0 CCADLP CN(C)S(=O)(=O)CCC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621782097 366866356 /nfs/dbraw/zinc/86/63/56/366866356.db2.gz MIXVJFZBJAUGIT-NWDGAFQWSA-N 2 2 275.418 0.081 20 0 CCADLP CN(C)S(=O)(=O)CCC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621782097 366866361 /nfs/dbraw/zinc/86/63/61/366866361.db2.gz MIXVJFZBJAUGIT-NWDGAFQWSA-N 2 2 275.418 0.081 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cncc(Cl)c1 ZINC000621773954 366861762 /nfs/dbraw/zinc/86/17/62/366861762.db2.gz GVARKVBFSCGXIN-UHFFFAOYSA-N 2 2 282.775 0.599 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cncc(Cl)c1 ZINC000621773954 366861768 /nfs/dbraw/zinc/86/17/68/366861768.db2.gz GVARKVBFSCGXIN-UHFFFAOYSA-N 2 2 282.775 0.599 20 0 CCADLP CC[C@H]1C[N@H+](C)CCCN1C(=O)Cn1cc[nH+]c1 ZINC000614328670 364572636 /nfs/dbraw/zinc/57/26/36/364572636.db2.gz ALRBOIYJRBSKQV-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCCN1C(=O)Cn1cc[nH+]c1 ZINC000614328670 364572640 /nfs/dbraw/zinc/57/26/40/364572640.db2.gz ALRBOIYJRBSKQV-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP CC1(C)C[NH+](CC(=O)N2CC(C[NH+]3CCOCC3)C2)C1 ZINC000615139657 364858460 /nfs/dbraw/zinc/85/84/60/364858460.db2.gz JPMUFQSDSUXKFI-UHFFFAOYSA-N 2 2 281.400 0.119 20 0 CCADLP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000615311974 364917525 /nfs/dbraw/zinc/91/75/25/364917525.db2.gz DMTIWXUMHVCRQN-AGIUHOORSA-N 2 2 276.384 0.997 20 0 CCADLP C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000615262565 364897982 /nfs/dbraw/zinc/89/79/82/364897982.db2.gz BPBRAFJKXNKMJU-STQMWFEESA-N 2 2 292.383 0.664 20 0 CCADLP C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000615262565 364897985 /nfs/dbraw/zinc/89/79/85/364897985.db2.gz BPBRAFJKXNKMJU-STQMWFEESA-N 2 2 292.383 0.664 20 0 CCADLP C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000615265378 364898461 /nfs/dbraw/zinc/89/84/61/364898461.db2.gz IJTCHZKSFGVOFU-UONOGXRCSA-N 2 2 295.427 0.650 20 0 CCADLP C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000615265378 364898463 /nfs/dbraw/zinc/89/84/63/364898463.db2.gz IJTCHZKSFGVOFU-UONOGXRCSA-N 2 2 295.427 0.650 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCOC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000615269405 364901590 /nfs/dbraw/zinc/90/15/90/364901590.db2.gz KXOKYJUVOOVGRG-KBPBESRZSA-N 2 2 292.383 0.284 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCOC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000615269405 364901596 /nfs/dbraw/zinc/90/15/96/364901596.db2.gz KXOKYJUVOOVGRG-KBPBESRZSA-N 2 2 292.383 0.284 20 0 CCADLP C[NH+](C)CC1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000615506411 364987323 /nfs/dbraw/zinc/98/73/23/364987323.db2.gz PFEVQWBSFXJFHF-OAHLLOKOSA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+](C)CC1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000615506411 364987328 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C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[N@@H+]1CCO ZINC000621962056 366952596 /nfs/dbraw/zinc/95/25/96/366952596.db2.gz CKRMSJQOFSIMEM-NSHDSACASA-N 2 2 280.372 0.212 20 0 CCADLP C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[N@H+]1CCO ZINC000621962056 366952601 /nfs/dbraw/zinc/95/26/01/366952601.db2.gz CKRMSJQOFSIMEM-NSHDSACASA-N 2 2 280.372 0.212 20 0 CCADLP COc1c(C)[nH+]cnc1NC[C@@](C)(O)C[NH+](C)C ZINC000656149764 412750110 /nfs/dbraw/zinc/75/01/10/412750110.db2.gz NRCHELILESYUBD-GFCCVEGCSA-N 2 2 254.334 0.518 20 0 CCADLP Cc1csc(CCCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])n1 ZINC000565304087 291370734 /nfs/dbraw/zinc/37/07/34/291370734.db2.gz ZXQGGPBSDIWOMP-GFCCVEGCSA-N 2 2 296.440 0.876 20 0 CCADLP Cc1csc(CCCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000565304087 291370736 /nfs/dbraw/zinc/37/07/36/291370736.db2.gz ZXQGGPBSDIWOMP-GFCCVEGCSA-N 2 2 296.440 0.876 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000622083066 367014390 /nfs/dbraw/zinc/01/43/90/367014390.db2.gz XMCLKKSRRZLYBN-OLZOCXBDSA-N 2 2 293.415 0.716 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335561281 212268639 /nfs/dbraw/zinc/26/86/39/212268639.db2.gz ZAFNPIFAYJWFCA-VXGBXAGGSA-N 2 2 262.357 0.656 20 0 CCADLP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335561281 212268640 /nfs/dbraw/zinc/26/86/40/212268640.db2.gz ZAFNPIFAYJWFCA-VXGBXAGGSA-N 2 2 262.357 0.656 20 0 CCADLP COCC[NH+]1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000622369541 367136903 /nfs/dbraw/zinc/13/69/03/367136903.db2.gz QNOYXSRUFUUMAA-UHFFFAOYSA-N 2 2 266.345 0.133 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000622631322 367232127 /nfs/dbraw/zinc/23/21/27/367232127.db2.gz LAILPLZRNPTMRD-LBPRGKRZSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000622631322 367232134 /nfs/dbraw/zinc/23/21/34/367232134.db2.gz LAILPLZRNPTMRD-LBPRGKRZSA-N 2 2 280.372 0.305 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC(C2CCOCC2)C1 ZINC000656152434 412752876 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C[C@H](CC(=O)N[C@H]1Cc2c[nH+]cn2C1)n1cc[nH+]c1 ZINC000623255053 367491879 /nfs/dbraw/zinc/49/18/79/367491879.db2.gz ILYNJXHMQWSUSE-MNOVXSKESA-N 2 2 259.313 0.772 20 0 CCADLP CCn1nnc(C)c1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000623086735 367445619 /nfs/dbraw/zinc/44/56/19/367445619.db2.gz HMWDLUFHRSYNMF-UHFFFAOYSA-N 2 2 294.447 0.676 20 0 CCADLP CCn1nnc(C)c1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000623086735 367445622 /nfs/dbraw/zinc/44/56/22/367445622.db2.gz HMWDLUFHRSYNMF-UHFFFAOYSA-N 2 2 294.447 0.676 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)[C@H]1CCC[NH2+]C1 ZINC000623175813 367462242 /nfs/dbraw/zinc/46/22/42/367462242.db2.gz OZPZVSBDSNOJGB-AVGNSLFASA-N 2 2 276.384 0.950 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H](C)C[NH2+]1 ZINC000623177242 367465774 /nfs/dbraw/zinc/46/57/74/367465774.db2.gz NUATUDGVVUOXOT-IJLUTSLNSA-N 2 2 262.357 0.654 20 0 CCADLP CC1(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC[NH2+]CC1 ZINC000623177014 367465954 /nfs/dbraw/zinc/46/59/54/367465954.db2.gz 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C[NH2+]C[C@@](C)(O)C[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000566351672 291396550 /nfs/dbraw/zinc/39/65/50/291396550.db2.gz WXWDCJWYBDJSET-HZPDHXFCSA-N 2 2 278.396 0.900 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000566351672 291396551 /nfs/dbraw/zinc/39/65/51/291396551.db2.gz WXWDCJWYBDJSET-HZPDHXFCSA-N 2 2 278.396 0.900 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@H]1COCC[NH+]1C ZINC000624082251 367748293 /nfs/dbraw/zinc/74/82/93/367748293.db2.gz SFMDYAWWYRGHRN-STQMWFEESA-N 2 2 286.420 0.345 20 0 CCADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@H]1COCC[NH+]1C ZINC000624082251 367748294 /nfs/dbraw/zinc/74/82/94/367748294.db2.gz SFMDYAWWYRGHRN-STQMWFEESA-N 2 2 286.420 0.345 20 0 CCADLP CC(C)[NH+](C)C[C@H](C)NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624082251 367748295 /nfs/dbraw/zinc/74/82/95/367748295.db2.gz SFMDYAWWYRGHRN-STQMWFEESA-N 2 2 286.420 0.345 20 0 CCADLP CC(C)[NH+](C)C[C@H](C)NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000624082251 367748296 /nfs/dbraw/zinc/74/82/96/367748296.db2.gz SFMDYAWWYRGHRN-STQMWFEESA-N 2 2 286.420 0.345 20 0 CCADLP C[C@H](C(=O)N1CCC(CC[NH3+])CC1)[NH+]1CCN(C)CC1 ZINC000566405844 291399969 /nfs/dbraw/zinc/39/99/69/291399969.db2.gz DVOFXNJZKMADQW-CYBMUJFWSA-N 2 2 282.432 0.210 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c2nccn21 ZINC000624086725 367749997 /nfs/dbraw/zinc/74/99/97/367749997.db2.gz STJIIOWKPPWTCC-XQQFMLRXSA-N 2 2 291.399 0.818 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c2nccn21 ZINC000624086725 367749999 /nfs/dbraw/zinc/74/99/99/367749999.db2.gz STJIIOWKPPWTCC-XQQFMLRXSA-N 2 2 291.399 0.818 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000624577723 367924253 /nfs/dbraw/zinc/92/42/53/367924253.db2.gz RAQNSHUCQNFDQU-LLVKDONJSA-N 2 2 251.334 0.645 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000624577723 367924262 /nfs/dbraw/zinc/92/42/62/367924262.db2.gz RAQNSHUCQNFDQU-LLVKDONJSA-N 2 2 251.334 0.645 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000624577723 367924269 /nfs/dbraw/zinc/92/42/69/367924269.db2.gz RAQNSHUCQNFDQU-LLVKDONJSA-N 2 2 251.334 0.645 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000624577723 367924278 /nfs/dbraw/zinc/92/42/78/367924278.db2.gz RAQNSHUCQNFDQU-LLVKDONJSA-N 2 2 251.334 0.645 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NCC[N@@H+](C)C1CC1)CC2 ZINC000624597678 367925332 /nfs/dbraw/zinc/92/53/32/367925332.db2.gz QVDDQNSNHWTIKZ-GFCCVEGCSA-N 2 2 276.384 0.964 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NCC[N@H+](C)C1CC1)CC2 ZINC000624597678 367925337 /nfs/dbraw/zinc/92/53/37/367925337.db2.gz QVDDQNSNHWTIKZ-GFCCVEGCSA-N 2 2 276.384 0.964 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNc1cc[nH+]c2ccncc12 ZINC000624620173 367931109 /nfs/dbraw/zinc/93/11/09/367931109.db2.gz WXJRTQKHRXMKRC-NSHDSACASA-N 2 2 258.325 0.794 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNc1cc[nH+]c2ccncc12 ZINC000624620173 367931114 /nfs/dbraw/zinc/93/11/14/367931114.db2.gz WXJRTQKHRXMKRC-NSHDSACASA-N 2 2 258.325 0.794 20 0 CCADLP CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000624729061 367969986 /nfs/dbraw/zinc/96/99/86/367969986.db2.gz HSRNANTTYWSPKD-CYBMUJFWSA-N 2 2 298.431 0.443 20 0 CCADLP CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000624729061 367969994 /nfs/dbraw/zinc/96/99/94/367969994.db2.gz HSRNANTTYWSPKD-CYBMUJFWSA-N 2 2 298.431 0.443 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)NC[C@@H]2COCC[NH+]2C)CC[N@@H+]1C ZINC000624733362 367974415 /nfs/dbraw/zinc/97/44/15/367974415.db2.gz VLBBUXGHDYUIIR-KGLIPLIRSA-N 2 2 298.431 0.299 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)NC[C@@H]2COCC[NH+]2C)CC[N@H+]1C ZINC000624733362 367974420 /nfs/dbraw/zinc/97/44/20/367974420.db2.gz VLBBUXGHDYUIIR-KGLIPLIRSA-N 2 2 298.431 0.299 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC[NH+]1C ZINC000624733362 367974423 /nfs/dbraw/zinc/97/44/23/367974423.db2.gz VLBBUXGHDYUIIR-KGLIPLIRSA-N 2 2 298.431 0.299 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)NC[C@@H]2COCC[N@H+]2C)CC[NH+]1C ZINC000624733362 367974430 /nfs/dbraw/zinc/97/44/30/367974430.db2.gz VLBBUXGHDYUIIR-KGLIPLIRSA-N 2 2 298.431 0.299 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656200113 412764702 /nfs/dbraw/zinc/76/47/02/412764702.db2.gz JVJTZPNJDOJTPH-DGADGQDISA-N 2 2 299.459 0.841 20 0 CCADLP Cn1cc(CC[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)nn1 ZINC000625392911 368179133 /nfs/dbraw/zinc/17/91/33/368179133.db2.gz YNNVNLGKDUELBV-OAHLLOKOSA-N 2 2 293.415 0.544 20 0 CCADLP Cn1cc(CC[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)nn1 ZINC000625392911 368179135 /nfs/dbraw/zinc/17/91/35/368179135.db2.gz YNNVNLGKDUELBV-OAHLLOKOSA-N 2 2 293.415 0.544 20 0 CCADLP C[NH+]1CCC2(CC1)C[N@H+](CC(=O)NCC(C)(C)C)CCO2 ZINC000625508835 368226936 /nfs/dbraw/zinc/22/69/36/368226936.db2.gz IQODMWTUZWZOBL-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP C[NH+]1CCC2(CC1)C[N@@H+](CC(=O)NCC(C)(C)C)CCO2 ZINC000625508835 368226937 /nfs/dbraw/zinc/22/69/37/368226937.db2.gz IQODMWTUZWZOBL-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP CC(C)(C)n1nnc(CC[N@@H+]2CCc3[nH+]c[nH]c3C2)n1 ZINC000625434082 368198956 /nfs/dbraw/zinc/19/89/56/368198956.db2.gz CFXOMVWXFDEOAL-UHFFFAOYSA-N 2 2 275.360 0.752 20 0 CCADLP CC(C)(C)n1nnc(CC[N@H+]2CCc3[nH+]c[nH]c3C2)n1 ZINC000625434082 368198959 /nfs/dbraw/zinc/19/89/59/368198959.db2.gz CFXOMVWXFDEOAL-UHFFFAOYSA-N 2 2 275.360 0.752 20 0 CCADLP CC(C)C[NH2+]C1(CO)CC[NH+](CCc2cn(C)nn2)CC1 ZINC000625456844 368207098 /nfs/dbraw/zinc/20/70/98/368207098.db2.gz GHTLGQZKMRAICE-UHFFFAOYSA-N 2 2 295.431 0.430 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCN(c2nccnn2)CC1 ZINC000625643247 368283051 /nfs/dbraw/zinc/28/30/51/368283051.db2.gz IBXIBOJPXULZQR-UHFFFAOYSA-N 2 2 273.344 0.199 20 0 CCADLP C[C@@H](CO)C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000625960344 368375197 /nfs/dbraw/zinc/37/51/97/368375197.db2.gz IYHGTMRBFIWPPX-CYBMUJFWSA-N 2 2 256.390 0.802 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCO[C@H](CC(N)=O)C1 ZINC000626081489 368432854 /nfs/dbraw/zinc/43/28/54/368432854.db2.gz FZISIIQTJUFVJQ-QWHCGFSZSA-N 2 2 269.389 0.437 20 0 CCADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCO[C@H](CC(N)=O)C1 ZINC000626081489 368432861 /nfs/dbraw/zinc/43/28/61/368432861.db2.gz FZISIIQTJUFVJQ-QWHCGFSZSA-N 2 2 269.389 0.437 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626081489 368432865 /nfs/dbraw/zinc/43/28/65/368432865.db2.gz FZISIIQTJUFVJQ-QWHCGFSZSA-N 2 2 269.389 0.437 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626081489 368432870 /nfs/dbraw/zinc/43/28/70/368432870.db2.gz FZISIIQTJUFVJQ-QWHCGFSZSA-N 2 2 269.389 0.437 20 0 CCADLP CCC1([NH+]2CCOCC2)CC[NH+](CCCO)CC1 ZINC000626087162 368436363 /nfs/dbraw/zinc/43/63/63/368436363.db2.gz FDFDPCISUAAJBL-UHFFFAOYSA-N 2 2 256.390 0.946 20 0 CCADLP CC(=O)NC[C@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000626159756 368467008 /nfs/dbraw/zinc/46/70/08/368467008.db2.gz TZGVJTOUACTLIV-CABCVRRESA-N 2 2 283.416 0.432 20 0 CCADLP CC(=O)NC[C@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000626159756 368467012 /nfs/dbraw/zinc/46/70/12/368467012.db2.gz TZGVJTOUACTLIV-CABCVRRESA-N 2 2 283.416 0.432 20 0 CCADLP CC(=O)NC[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000626159756 368467016 /nfs/dbraw/zinc/46/70/16/368467016.db2.gz TZGVJTOUACTLIV-CABCVRRESA-N 2 2 283.416 0.432 20 0 CCADLP CC(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000626159756 368467022 /nfs/dbraw/zinc/46/70/22/368467022.db2.gz TZGVJTOUACTLIV-CABCVRRESA-N 2 2 283.416 0.432 20 0 CCADLP CCN(CC[NH3+])C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000626853886 368663290 /nfs/dbraw/zinc/66/32/90/368663290.db2.gz WVFLTMOYYPPNNA-UHFFFAOYSA-N 2 2 264.329 0.444 20 0 CCADLP CN(CCOCC[NH3+])C(=O)NCCCCn1cc[nH+]c1 ZINC000626946506 368694231 /nfs/dbraw/zinc/69/42/31/368694231.db2.gz ZNBXZRMMWOMVHN-UHFFFAOYSA-N 2 2 283.376 0.280 20 0 CCADLP [NH3+]C1(CNC(=O)NCCCCn2cc[nH+]c2)CCOCC1 ZINC000626946314 368694466 /nfs/dbraw/zinc/69/44/66/368694466.db2.gz WPCOUNXFYAGOOB-UHFFFAOYSA-N 2 2 295.387 0.470 20 0 CCADLP CCN(CC[NH3+])C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000626935005 368686186 /nfs/dbraw/zinc/68/61/86/368686186.db2.gz UNYQGPPECQMDLT-UHFFFAOYSA-N 2 2 265.361 0.638 20 0 CCADLP C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632174168 370905402 /nfs/dbraw/zinc/90/54/02/370905402.db2.gz SSDZKAJNUORDLT-RYUDHWBXSA-N 2 2 289.445 0.435 20 0 CCADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632174168 370905404 /nfs/dbraw/zinc/90/54/04/370905404.db2.gz SSDZKAJNUORDLT-RYUDHWBXSA-N 2 2 289.445 0.435 20 0 CCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000627003338 368728815 /nfs/dbraw/zinc/72/88/15/368728815.db2.gz MZSCJELUHIFJHX-HZSPNIEDSA-N 2 2 298.431 0.345 20 0 CCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000627003338 368728819 /nfs/dbraw/zinc/72/88/19/368728819.db2.gz MZSCJELUHIFJHX-HZSPNIEDSA-N 2 2 298.431 0.345 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000627078347 368776364 /nfs/dbraw/zinc/77/63/64/368776364.db2.gz NMILKIVRSZGKSQ-ZIAGYGMSSA-N 2 2 292.383 0.316 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000627078347 368776370 /nfs/dbraw/zinc/77/63/70/368776370.db2.gz NMILKIVRSZGKSQ-ZIAGYGMSSA-N 2 2 292.383 0.316 20 0 CCADLP C[C@H]([NH3+])C1CCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000627184403 368854010 /nfs/dbraw/zinc/85/40/10/368854010.db2.gz WZIWZBTUGIXNMQ-WCQYABFASA-N 2 2 284.404 0.086 20 0 CCADLP C[C@H]([NH3+])C1CCN(C(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000627184403 368854012 /nfs/dbraw/zinc/85/40/12/368854012.db2.gz WZIWZBTUGIXNMQ-WCQYABFASA-N 2 2 284.404 0.086 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCn3cc(C)[nH+]c3C2)C1 ZINC000627764175 369092745 /nfs/dbraw/zinc/09/27/45/369092745.db2.gz UVCITAPUOZDSSB-QWHCGFSZSA-N 2 2 276.384 0.964 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCn3cc(C)[nH+]c3C2)C1 ZINC000627764175 369092746 /nfs/dbraw/zinc/09/27/46/369092746.db2.gz UVCITAPUOZDSSB-QWHCGFSZSA-N 2 2 276.384 0.964 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000567060768 291456305 /nfs/dbraw/zinc/45/63/05/291456305.db2.gz CDADIJNGSBWYJL-LBPRGKRZSA-N 2 2 279.388 0.155 20 0 CCADLP OCC[NH+](CCO)C1CCN(c2cccc[nH+]2)CC1 ZINC000628369896 369252145 /nfs/dbraw/zinc/25/21/45/369252145.db2.gz JGCGBFLXDGJHRA-UHFFFAOYSA-N 2 2 265.357 0.337 20 0 CCADLP Cc1[nH]c(CN2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)[nH+]c1C ZINC000628314189 369239158 /nfs/dbraw/zinc/23/91/58/369239158.db2.gz POYRATODQYRAKQ-QWRGUYRKSA-N 2 2 266.389 0.913 20 0 CCADLP Cc1[nH]c(CN2C[C@H](C)[N@H+](CCO)C[C@@H]2C)[nH+]c1C ZINC000628314189 369239164 /nfs/dbraw/zinc/23/91/64/369239164.db2.gz POYRATODQYRAKQ-QWRGUYRKSA-N 2 2 266.389 0.913 20 0 CCADLP Cc1cc(NCCNC(=O)C[NH+](C)C)nc(C(C)C)[nH+]1 ZINC000628826497 369409699 /nfs/dbraw/zinc/40/96/99/369409699.db2.gz VDOYMMNBATZKKJ-UHFFFAOYSA-N 2 2 279.388 0.420 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000628919656 369461424 /nfs/dbraw/zinc/46/14/24/369461424.db2.gz INUCRQQWRZYMBP-CYBMUJFWSA-N 2 2 274.324 0.395 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000628919656 369461428 /nfs/dbraw/zinc/46/14/28/369461428.db2.gz INUCRQQWRZYMBP-CYBMUJFWSA-N 2 2 274.324 0.395 20 0 CCADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000276268289 193264482 /nfs/dbraw/zinc/26/44/82/193264482.db2.gz CDXDOJKLHMGDQN-CQSZACIVSA-N 2 2 297.424 0.946 20 0 CCADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000276268289 193264483 /nfs/dbraw/zinc/26/44/83/193264483.db2.gz CDXDOJKLHMGDQN-CQSZACIVSA-N 2 2 297.424 0.946 20 0 CCADLP NC(=O)c1cccc(C[NH2+]CC2([NH3+])CCOCC2)c1 ZINC000629388240 369650788 /nfs/dbraw/zinc/65/07/88/369650788.db2.gz PCGNCQLZMXSSJP-UHFFFAOYSA-N 2 2 263.341 0.383 20 0 CCADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629562168 369709604 /nfs/dbraw/zinc/70/96/04/369709604.db2.gz MFPUFJAPCYSPHN-DJLDLDEBSA-N 2 2 267.295 0.709 20 0 CCADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629562168 369709609 /nfs/dbraw/zinc/70/96/09/369709609.db2.gz MFPUFJAPCYSPHN-DJLDLDEBSA-N 2 2 267.295 0.709 20 0 CCADLP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000629561630 369710043 /nfs/dbraw/zinc/71/00/43/369710043.db2.gz JUYJCUGIUMAOGR-OAHLLOKOSA-N 3 2 298.475 0.059 20 0 CCADLP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000629561628 369710928 /nfs/dbraw/zinc/71/09/28/369710928.db2.gz JUYJCUGIUMAOGR-HNNXBMFYSA-N 3 2 298.475 0.059 20 0 CCADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(=O)N1CCCC[C@@H]1C ZINC000629568123 369714725 /nfs/dbraw/zinc/71/47/25/369714725.db2.gz RNKXUUOCRSDLFL-SOUVJXGZSA-N 2 2 297.443 0.822 20 0 CCADLP C[NH2+]CCOCC[N@H+](C)Cc1ncnn1CC(C)C ZINC000629572594 369717802 /nfs/dbraw/zinc/71/78/02/369717802.db2.gz XXKSHNRPDKIDQD-UHFFFAOYSA-N 2 2 269.393 0.602 20 0 CCADLP C[NH2+]CCOCC[N@@H+](C)Cc1ncnn1CC(C)C ZINC000629572594 369717805 /nfs/dbraw/zinc/71/78/05/369717805.db2.gz XXKSHNRPDKIDQD-UHFFFAOYSA-N 2 2 269.393 0.602 20 0 CCADLP C[N@H+](CCOCC[NH3+])Cc1nnnn1-c1ccccc1 ZINC000629578674 369720626 /nfs/dbraw/zinc/72/06/26/369720626.db2.gz CVIYKMVKSFMWNR-UHFFFAOYSA-N 2 2 276.344 0.069 20 0 CCADLP C[N@@H+](CCOCC[NH3+])Cc1nnnn1-c1ccccc1 ZINC000629578674 369720629 /nfs/dbraw/zinc/72/06/29/369720629.db2.gz CVIYKMVKSFMWNR-UHFFFAOYSA-N 2 2 276.344 0.069 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000629515686 369689613 /nfs/dbraw/zinc/68/96/13/369689613.db2.gz SXOCGINODUEIJE-RUXDESIVSA-N 3 2 282.432 0.433 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C1CCC(C[NH3+])CC1 ZINC000629515686 369689619 /nfs/dbraw/zinc/68/96/19/369689619.db2.gz SXOCGINODUEIJE-RUXDESIVSA-N 3 2 282.432 0.433 20 0 CCADLP Nc1ncccc1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000629531754 369691978 /nfs/dbraw/zinc/69/19/78/369691978.db2.gz XCKJREDICAUSJK-CYBMUJFWSA-N 2 2 261.373 0.143 20 0 CCADLP [NH3+]CCCOCC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000629536395 369694852 /nfs/dbraw/zinc/69/48/52/369694852.db2.gz HCSNEAYBKRSOSP-CYBMUJFWSA-N 2 2 275.356 0.849 20 0 CCADLP COc1cncc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000629535214 369695044 /nfs/dbraw/zinc/69/50/44/369695044.db2.gz CLLBLNWDOVWWTO-MNOVXSKESA-N 2 2 250.346 0.902 20 0 CCADLP COc1cncc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000629535214 369695047 /nfs/dbraw/zinc/69/50/47/369695047.db2.gz CLLBLNWDOVWWTO-MNOVXSKESA-N 2 2 250.346 0.902 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C[NH2+]1 ZINC000629541282 369697533 /nfs/dbraw/zinc/69/75/33/369697533.db2.gz SUPHTVURHYOODS-XLWJZTARSA-N 3 2 267.417 0.874 20 0 CCADLP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCOC1CCOCC1)C2 ZINC000629545841 369698905 /nfs/dbraw/zinc/69/89/05/369698905.db2.gz ADXLZKWHYNSDIN-GXTWGEPZSA-N 2 2 254.374 0.995 20 0 CCADLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCOC1CCOCC1)C2 ZINC000629545841 369698908 /nfs/dbraw/zinc/69/89/08/369698908.db2.gz ADXLZKWHYNSDIN-GXTWGEPZSA-N 2 2 254.374 0.995 20 0 CCADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccc(-n2cnnn2)c1 ZINC000629544871 369699262 /nfs/dbraw/zinc/69/92/62/369699262.db2.gz DYUKIFWYWDIXAO-CMPLNLGQSA-N 2 2 258.329 0.675 20 0 CCADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000629547534 369700666 /nfs/dbraw/zinc/70/06/66/369700666.db2.gz ULGRQQWQQKADIF-MCIONIFRSA-N 2 2 283.416 0.873 20 0 CCADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000629547534 369700671 /nfs/dbraw/zinc/70/06/71/369700671.db2.gz ULGRQQWQQKADIF-MCIONIFRSA-N 2 2 283.416 0.873 20 0 CCADLP CO[C@H]1C[C@@H](C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000629553603 369703594 /nfs/dbraw/zinc/70/35/94/369703594.db2.gz AXNBPTQCQIZEAK-AHLTXXRQSA-N 2 2 254.374 0.768 20 0 CCADLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629556940 369706861 /nfs/dbraw/zinc/70/68/61/369706861.db2.gz SDGWTPOZXOHRQM-DZGCQCFKSA-N 3 2 280.416 0.874 20 0 CCADLP CC(C)CC[C@H](O)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000629606024 369737971 /nfs/dbraw/zinc/73/79/71/369737971.db2.gz LVSWUFXCWORMOV-KBPBESRZSA-N 2 2 285.432 0.713 20 0 CCADLP CC(C)CC[C@H](O)C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000629606024 369737975 /nfs/dbraw/zinc/73/79/75/369737975.db2.gz LVSWUFXCWORMOV-KBPBESRZSA-N 2 2 285.432 0.713 20 0 CCADLP CN(C(=O)CC[NH2+]CC[N@@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000629616807 369741333 /nfs/dbraw/zinc/74/13/33/369741333.db2.gz BQNOWVYUUYROHB-HNNXBMFYSA-N 2 2 291.395 0.696 20 0 CCADLP CN(C(=O)CC[NH2+]CC[N@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000629616807 369741336 /nfs/dbraw/zinc/74/13/36/369741336.db2.gz BQNOWVYUUYROHB-HNNXBMFYSA-N 2 2 291.395 0.696 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000629674204 369753105 /nfs/dbraw/zinc/75/31/05/369753105.db2.gz YLXSBDYHFQBOCU-DMDPSCGWSA-N 2 2 251.374 0.727 20 0 CCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CC(=O)NCC1CCC1)C2 ZINC000629584578 369728344 /nfs/dbraw/zinc/72/83/44/369728344.db2.gz BSPDPRKBEFBMSZ-GASCZTMLSA-N 2 2 265.401 0.834 20 0 CCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CC(=O)NCC1CCC1)C2 ZINC000629584578 369728348 /nfs/dbraw/zinc/72/83/48/369728348.db2.gz BSPDPRKBEFBMSZ-GASCZTMLSA-N 2 2 265.401 0.834 20 0 CCADLP C[C@@H](C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)CS(C)(=O)=O ZINC000629585361 369729957 /nfs/dbraw/zinc/72/99/57/369729957.db2.gz SVSOGSBODSCVFS-RWMBFGLXSA-N 2 2 274.430 0.599 20 0 CCADLP C[C@@H](C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)CS(C)(=O)=O ZINC000629585361 369729960 /nfs/dbraw/zinc/72/99/60/369729960.db2.gz SVSOGSBODSCVFS-RWMBFGLXSA-N 2 2 274.430 0.599 20 0 CCADLP C[C@@H](C(=O)C1CC1)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000630603724 370202128 /nfs/dbraw/zinc/20/21/28/370202128.db2.gz LBOFIEUGRPMQON-NSHDSACASA-N 2 2 291.399 0.784 20 0 CCADLP Cc1cc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)on1 ZINC000631064552 370372727 /nfs/dbraw/zinc/37/27/27/370372727.db2.gz PEJRVFZVKQMNFP-LBPRGKRZSA-N 2 2 280.372 0.660 20 0 CCADLP Cc1cc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)on1 ZINC000631064552 370372732 /nfs/dbraw/zinc/37/27/32/370372732.db2.gz PEJRVFZVKQMNFP-LBPRGKRZSA-N 2 2 280.372 0.660 20 0 CCADLP Cn1nc2c(c1C[NH2+]C[C@]1(O)CC[N@H+](C)C1)CCCC2 ZINC000631112739 370388912 /nfs/dbraw/zinc/38/89/12/370388912.db2.gz RDOSLVXEHVYUIL-OAHLLOKOSA-N 2 2 278.400 0.455 20 0 CCADLP Cn1nc2c(c1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1)CCCC2 ZINC000631112739 370388919 /nfs/dbraw/zinc/38/89/19/370388919.db2.gz RDOSLVXEHVYUIL-OAHLLOKOSA-N 2 2 278.400 0.455 20 0 CCADLP CNS(=O)(=O)CCC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000631229856 370430128 /nfs/dbraw/zinc/43/01/28/370430128.db2.gz QPPKAPBLIQBEBC-MNOVXSKESA-N 2 2 275.418 0.141 20 0 CCADLP CNS(=O)(=O)CCC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000631229856 370430133 /nfs/dbraw/zinc/43/01/33/370430133.db2.gz QPPKAPBLIQBEBC-MNOVXSKESA-N 2 2 275.418 0.141 20 0 CCADLP O=c1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2CCCO)c[nH]1 ZINC000631146475 370400606 /nfs/dbraw/zinc/40/06/06/370400606.db2.gz JONUEIGHRAVGCW-ZDUSSCGKSA-N 2 2 265.357 0.724 20 0 CCADLP O=c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)c[nH]1 ZINC000631146475 370400612 /nfs/dbraw/zinc/40/06/12/370400612.db2.gz JONUEIGHRAVGCW-ZDUSSCGKSA-N 2 2 265.357 0.724 20 0 CCADLP Cc1nc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)nc(N)[nH+]1 ZINC000631282686 370454594 /nfs/dbraw/zinc/45/45/94/370454594.db2.gz WYWDUHWFLUCKBT-SNVBAGLBSA-N 2 2 276.388 0.903 20 0 CCADLP Cc1nc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)nc(N)[nH+]1 ZINC000631282686 370454602 /nfs/dbraw/zinc/45/46/02/370454602.db2.gz WYWDUHWFLUCKBT-SNVBAGLBSA-N 2 2 276.388 0.903 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N2CC(n3cc[nH+]c3)C2)CC[N@@H+]1C ZINC000631302007 370464200 /nfs/dbraw/zinc/46/42/00/370464200.db2.gz ZRCWYORLZSZKMI-QWHCGFSZSA-N 2 2 262.357 0.997 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N2CC(n3cc[nH+]c3)C2)CC[N@H+]1C ZINC000631302007 370464204 /nfs/dbraw/zinc/46/42/04/370464204.db2.gz ZRCWYORLZSZKMI-QWHCGFSZSA-N 2 2 262.357 0.997 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCOC(C)(C)C)C[C@@H](C)O1 ZINC000567681218 291501662 /nfs/dbraw/zinc/50/16/62/291501662.db2.gz MFXNNHQIVFUYJK-MCIONIFRSA-N 2 2 288.432 0.861 20 0 CCADLP Cc1nc(N2CCC[C@H]([NH+]3CCOCC3)CC2)nc(N)[nH+]1 ZINC000631337856 370482339 /nfs/dbraw/zinc/48/23/39/370482339.db2.gz HZLPGKQBTCMSIS-LBPRGKRZSA-N 2 2 292.387 0.284 20 0 CCADLP CC[NH+](CC)[C@H]1CCN(C(=O)C2([NH+]3CCOCC3)CC2)C1 ZINC000631558503 370591134 /nfs/dbraw/zinc/59/11/34/370591134.db2.gz YRIQLMPYTUDVBD-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP CC[C@@H](NC(C)=O)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000631626159 370614867 /nfs/dbraw/zinc/61/48/67/370614867.db2.gz UWSLOKRUJOEUKM-CQSZACIVSA-N 2 2 298.431 0.043 20 0 CCADLP O=S(=O)(CCC[NH+]1CCCC1)NCc1c[nH+]c[nH]1 ZINC000632588276 371165518 /nfs/dbraw/zinc/16/55/18/371165518.db2.gz HUEOATUSYWIGSU-UHFFFAOYSA-N 2 2 272.374 0.315 20 0 CCADLP C[C@@H]1CCN(C(=O)NC[C@H]([NH3+])C2CC2)C[C@H]1C[NH3+] ZINC000331933612 204309272 /nfs/dbraw/zinc/30/92/72/204309272.db2.gz WSRIKVKHIFSUOP-JLLWLGSASA-N 2 2 254.378 0.350 20 0 CCADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCCN1CCOCC1 ZINC000331972564 204349796 /nfs/dbraw/zinc/34/97/96/204349796.db2.gz JWTCSJHHBWVTJV-KBPBESRZSA-N 2 2 255.406 0.958 20 0 CCADLP [NH3+][C@H]1CCCCC[C@@H]1NCCC[NH+]1CCOCC1 ZINC000331972564 204349800 /nfs/dbraw/zinc/34/98/00/204349800.db2.gz JWTCSJHHBWVTJV-KBPBESRZSA-N 2 2 255.406 0.958 20 0 CCADLP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)C1([NH+]2CCOCC2)CC1 ZINC000633202185 371437086 /nfs/dbraw/zinc/43/70/86/371437086.db2.gz SBFSJSOESCZFRF-OLZOCXBDSA-N 2 2 281.400 0.402 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000633480980 371565709 /nfs/dbraw/zinc/56/57/09/371565709.db2.gz OMSRWXOJPSZXRY-TZMCWYRMSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000633480980 371565719 /nfs/dbraw/zinc/56/57/19/371565719.db2.gz OMSRWXOJPSZXRY-TZMCWYRMSA-N 2 2 294.399 0.551 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2C[C@H](C)OC[C@@H]2C)CC[N@@H+]1C ZINC000633616032 371631687 /nfs/dbraw/zinc/63/16/87/371631687.db2.gz BYFIOUMLCYMHEH-ZQDZILKHSA-N 2 2 297.443 0.942 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2C[C@H](C)OC[C@@H]2C)CC[N@H+]1C ZINC000633616032 371631691 /nfs/dbraw/zinc/63/16/91/371631691.db2.gz BYFIOUMLCYMHEH-ZQDZILKHSA-N 2 2 297.443 0.942 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)CC[NH+]1C ZINC000633616032 371631694 /nfs/dbraw/zinc/63/16/94/371631694.db2.gz BYFIOUMLCYMHEH-ZQDZILKHSA-N 2 2 297.443 0.942 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)CC[NH+]1C ZINC000633616032 371631696 /nfs/dbraw/zinc/63/16/96/371631696.db2.gz BYFIOUMLCYMHEH-ZQDZILKHSA-N 2 2 297.443 0.942 20 0 CCADLP CC(C)O[C@H]1C[C@@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000633823493 371713219 /nfs/dbraw/zinc/71/32/19/371713219.db2.gz JHLVPYJGLLQVPZ-UPJWGTAASA-N 2 2 284.404 0.227 20 0 CCADLP CC(C)O[C@H]1C[C@@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000633823493 371713225 /nfs/dbraw/zinc/71/32/25/371713225.db2.gz JHLVPYJGLLQVPZ-UPJWGTAASA-N 2 2 284.404 0.227 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]C[C@H](O)CC2(O)CCOCC2)[C@@H](C)C1 ZINC000634707664 372152465 /nfs/dbraw/zinc/15/24/65/372152465.db2.gz JSUKNLUXVAICSP-MJBXVCDLSA-N 2 2 286.416 0.209 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]C[C@H](O)CC2(O)CCOCC2)[C@@H](C)C1 ZINC000634707664 372152469 /nfs/dbraw/zinc/15/24/69/372152469.db2.gz JSUKNLUXVAICSP-MJBXVCDLSA-N 2 2 286.416 0.209 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCCCN(C)C1=O ZINC000634744110 372189812 /nfs/dbraw/zinc/18/98/12/372189812.db2.gz NNIGJAMQRDDWAY-KBPBESRZSA-N 2 2 285.432 0.630 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCCCN(C)C1=O ZINC000634744110 372189814 /nfs/dbraw/zinc/18/98/14/372189814.db2.gz NNIGJAMQRDDWAY-KBPBESRZSA-N 2 2 285.432 0.630 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CCCCN(C)C1=O ZINC000634744110 372189817 /nfs/dbraw/zinc/18/98/17/372189817.db2.gz NNIGJAMQRDDWAY-KBPBESRZSA-N 2 2 285.432 0.630 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CCCCN(C)C1=O ZINC000634744110 372189820 /nfs/dbraw/zinc/18/98/20/372189820.db2.gz NNIGJAMQRDDWAY-KBPBESRZSA-N 2 2 285.432 0.630 20 0 CCADLP C[C@@H](O)CNc1cc(N2CCCC[C@H]2CC[NH3+])nc[nH+]1 ZINC000634808741 372249352 /nfs/dbraw/zinc/24/93/52/372249352.db2.gz BGWJSKDPUIQVKF-NEPJUHHUSA-N 2 2 279.388 0.977 20 0 CCADLP C[C@@H](O)CNc1cc(N2CCCC[C@H]2CC[NH3+])[nH+]cn1 ZINC000634808741 372249354 /nfs/dbraw/zinc/24/93/54/372249354.db2.gz BGWJSKDPUIQVKF-NEPJUHHUSA-N 2 2 279.388 0.977 20 0 CCADLP c1nc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)c2c([nH+]1)NCCO2 ZINC000634808113 372249396 /nfs/dbraw/zinc/24/93/96/372249396.db2.gz JPCWXTZVLGPLTA-VHSXEESVSA-N 2 2 261.329 0.469 20 0 CCADLP c1nc(N2CCC[C@]3(CC[NH2+]C3)C2)c2c([nH+]1)NCCO2 ZINC000634809299 372252244 /nfs/dbraw/zinc/25/22/44/372252244.db2.gz OYIAQOYDILPTAF-CQSZACIVSA-N 2 2 275.356 0.861 20 0 CCADLP c1nc2c(c(N3CCC[C@]4(CC[NH2+]C4)C3)[nH+]1)OCCN2 ZINC000634809299 372252250 /nfs/dbraw/zinc/25/22/50/372252250.db2.gz OYIAQOYDILPTAF-CQSZACIVSA-N 2 2 275.356 0.861 20 0 CCADLP CC1(O)CCN(c2cc(N3C[C@@H]4C[C@H]3C[NH2+]4)nc[nH+]2)CC1 ZINC000634812289 372256697 /nfs/dbraw/zinc/25/66/97/372256697.db2.gz DZLUGTLGBRFXLK-RYUDHWBXSA-N 2 2 289.383 0.378 20 0 CCADLP O=C1CC[C@@H]([NH2+]C[C@H]2CCCC[N@H+]2CCO)CCN1 ZINC000634982420 372321232 /nfs/dbraw/zinc/32/12/32/372321232.db2.gz LHCAZLAXHJITMQ-CHWSQXEVSA-N 2 2 269.389 0.092 20 0 CCADLP O=C1CC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+]2CCO)CCN1 ZINC000634982420 372321238 /nfs/dbraw/zinc/32/12/38/372321238.db2.gz LHCAZLAXHJITMQ-CHWSQXEVSA-N 2 2 269.389 0.092 20 0 CCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634991964 372326756 /nfs/dbraw/zinc/32/67/56/372326756.db2.gz YBWVSWAZZXIUQJ-VEAWUBTESA-N 2 2 292.427 0.023 20 0 CCADLP CCc1c[nH]c(CC(=O)NCC(C)(C)[NH+](C)C)[nH+]1 ZINC000635112525 372377050 /nfs/dbraw/zinc/37/70/50/372377050.db2.gz TYQPBLUSVATHHS-UHFFFAOYSA-N 2 2 252.362 0.971 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635313688 372457021 /nfs/dbraw/zinc/45/70/21/372457021.db2.gz NGWLMTLQYHVTSP-HIFRSBDPSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635313688 372457032 /nfs/dbraw/zinc/45/70/32/372457032.db2.gz NGWLMTLQYHVTSP-HIFRSBDPSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+](C)CCn1ccc(=NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[nH]1 ZINC000635454917 372524417 /nfs/dbraw/zinc/52/44/17/372524417.db2.gz MUALRUVDQKDQSG-GHMZBOCLSA-N 2 2 288.355 0.332 20 0 CCADLP C[NH+](C)CCn1ccc(=NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[nH]1 ZINC000635454917 372524423 /nfs/dbraw/zinc/52/44/23/372524423.db2.gz MUALRUVDQKDQSG-GHMZBOCLSA-N 2 2 288.355 0.332 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000635501804 372564981 /nfs/dbraw/zinc/56/49/81/372564981.db2.gz UDLDRGNGJRQJSY-ZDUSSCGKSA-N 2 2 294.399 0.843 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000635501804 372564985 /nfs/dbraw/zinc/56/49/85/372564985.db2.gz UDLDRGNGJRQJSY-ZDUSSCGKSA-N 2 2 294.399 0.843 20 0 CCADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000635527100 372590390 /nfs/dbraw/zinc/59/03/90/372590390.db2.gz FIFAHYQERDZEFE-QWRGUYRKSA-N 2 2 273.340 0.965 20 0 CCADLP C[C@H](C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)[NH+](C)C ZINC000635546264 372610870 /nfs/dbraw/zinc/61/08/70/372610870.db2.gz KVIDPOCOFGBLRX-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP O=C(NCC[NH+]1CCSCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635552276 372617767 /nfs/dbraw/zinc/61/77/67/372617767.db2.gz SSSIQPMPJAMEOF-GHMZBOCLSA-N 2 2 280.397 0.678 20 0 CCADLP O=C(NCC[NH+]1CCSCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635552276 372617776 /nfs/dbraw/zinc/61/77/76/372617776.db2.gz SSSIQPMPJAMEOF-GHMZBOCLSA-N 2 2 280.397 0.678 20 0 CCADLP C[NH+](C)CC1(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000635697562 372779360 /nfs/dbraw/zinc/77/93/60/372779360.db2.gz PNUPJRYWPZIRFN-ZDUSSCGKSA-N 2 2 281.400 0.261 20 0 CCADLP Cc1cc(NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc[nH+]1 ZINC000333157311 205076614 /nfs/dbraw/zinc/07/66/14/205076614.db2.gz LIEFAGJPEDHSQQ-NWDGAFQWSA-N 2 2 260.341 0.885 20 0 CCADLP Cc1cc(NC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)cc[nH+]1 ZINC000333157312 205076667 /nfs/dbraw/zinc/07/66/67/205076667.db2.gz LIEFAGJPEDHSQQ-RYUDHWBXSA-N 2 2 260.341 0.885 20 0 CCADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)C(=O)NC[C@@H]1CCCO1 ZINC000333192766 205107205 /nfs/dbraw/zinc/10/72/05/205107205.db2.gz AHDYLBKEQIBNNC-PEBLQZBPSA-N 2 2 283.416 0.646 20 0 CCADLP C[C@H](NC(=O)[C@H]1CC[N@@H+]1C1CCCC1)[C@H]1C[NH+](C)CCO1 ZINC000635712811 372802177 /nfs/dbraw/zinc/80/21/77/372802177.db2.gz UREQARXFQCGQIM-NWANDNLSSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@H](NC(=O)[C@H]1CC[N@H+]1C1CCCC1)[C@H]1C[NH+](C)CCO1 ZINC000635712811 372802184 /nfs/dbraw/zinc/80/21/84/372802184.db2.gz UREQARXFQCGQIM-NWANDNLSSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@H](NC(=O)[C@H]1CC[NH+]1C1CCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000635712811 372802193 /nfs/dbraw/zinc/80/21/93/372802193.db2.gz UREQARXFQCGQIM-NWANDNLSSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@H](NC(=O)[C@H]1CC[NH+]1C1CCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000635712811 372802201 /nfs/dbraw/zinc/80/22/01/372802201.db2.gz UREQARXFQCGQIM-NWANDNLSSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000333234756 205141023 /nfs/dbraw/zinc/14/10/23/205141023.db2.gz CSVCVMPFDWHNQX-UPJWGTAASA-N 2 2 283.416 0.742 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)C1(C[NH+](C)C)CC1 ZINC000635789277 372910877 /nfs/dbraw/zinc/91/08/77/372910877.db2.gz KSCIVFVMCIAXEN-UHFFFAOYSA-N 2 2 250.346 0.421 20 0 CCADLP C[NH+](C)CC1(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000635917410 373102736 /nfs/dbraw/zinc/10/27/36/373102736.db2.gz BMFMNVKVQRZCFR-LLVKDONJSA-N 2 2 262.357 0.656 20 0 CCADLP Cc1nc(N)c(CNC(=O)Cn2cc[nH+]c2C(C)C)c[nH+]1 ZINC000635922041 373109793 /nfs/dbraw/zinc/10/97/93/373109793.db2.gz QMWARCGKPPPGAD-UHFFFAOYSA-N 2 2 288.355 0.834 20 0 CCADLP CC(C)C[C@@H](C(=O)N[C@@H](CO)C[NH+](C)C)n1cc[nH+]c1 ZINC000635929124 373118599 /nfs/dbraw/zinc/11/85/99/373118599.db2.gz QKFIYSUYJOKFHO-OLZOCXBDSA-N 2 2 282.388 0.509 20 0 CCADLP C[C@H](C(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO)[NH+](C)C ZINC000636144321 373404848 /nfs/dbraw/zinc/40/48/48/373404848.db2.gz PXIOXRRWPGCALA-GHMZBOCLSA-N 2 2 282.388 0.546 20 0 CCADLP C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH+](C)C ZINC000636171639 373426929 /nfs/dbraw/zinc/42/69/29/373426929.db2.gz NUXZWFBEORHDOC-GMTAPVOTSA-N 2 2 250.346 0.970 20 0 CCADLP C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH+](C)C ZINC000636171639 373426941 /nfs/dbraw/zinc/42/69/41/373426941.db2.gz NUXZWFBEORHDOC-GMTAPVOTSA-N 2 2 250.346 0.970 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636584947 373659092 /nfs/dbraw/zinc/65/90/92/373659092.db2.gz OVIOOQBGTXFPMC-GFCCVEGCSA-N 2 2 295.387 0.075 20 0 CCADLP COCC[N@@H+](C)CCCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636584947 373659097 /nfs/dbraw/zinc/65/90/97/373659097.db2.gz OVIOOQBGTXFPMC-GFCCVEGCSA-N 2 2 295.387 0.075 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000636908159 373813700 /nfs/dbraw/zinc/81/37/00/373813700.db2.gz CBGRLTMIWGYBTL-MGPQQGTHSA-N 2 2 283.416 0.506 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000636908159 373813709 /nfs/dbraw/zinc/81/37/09/373813709.db2.gz CBGRLTMIWGYBTL-MGPQQGTHSA-N 2 2 283.416 0.506 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000636908159 373813714 /nfs/dbraw/zinc/81/37/14/373813714.db2.gz CBGRLTMIWGYBTL-MGPQQGTHSA-N 2 2 283.416 0.506 20 0 CCADLP C[C@H](CNC(=O)C[NH+]1CC(C)(C)C1)N1CC[NH+](C)CC1 ZINC000574463244 335021736 /nfs/dbraw/zinc/02/17/36/335021736.db2.gz PPTPHRCNYCEGCX-CYBMUJFWSA-N 2 2 282.432 0.080 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC[C@@H]([NH3+])C1)CC2 ZINC000637798668 374324170 /nfs/dbraw/zinc/32/41/70/374324170.db2.gz MVNAWXBUKGXXAI-VXGBXAGGSA-N 2 2 262.357 0.704 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CC[NH2+][C@@H]1C)Cn1cc[nH+]c1 ZINC000568395551 291590474 /nfs/dbraw/zinc/59/04/74/291590474.db2.gz OHGFTGKLFIDTLZ-IJLUTSLNSA-N 2 2 250.346 0.633 20 0 CCADLP Cc1cn2ccc(C(=O)N3CCN(C)C[C@H]3C[NH3+])cc2[nH+]1 ZINC000637867787 374434206 /nfs/dbraw/zinc/43/42/06/374434206.db2.gz XMVAUJFIXFDELX-CYBMUJFWSA-N 2 2 287.367 0.358 20 0 CCADLP C[C@H](CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccco1 ZINC000637863847 374425309 /nfs/dbraw/zinc/42/53/09/374425309.db2.gz IGVMFZOIACBITJ-NEPJUHHUSA-N 2 2 265.357 0.875 20 0 CCADLP C[C@H](CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccco1 ZINC000637863847 374425317 /nfs/dbraw/zinc/42/53/17/374425317.db2.gz IGVMFZOIACBITJ-NEPJUHHUSA-N 2 2 265.357 0.875 20 0 CCADLP Nc1nc(N)c(CN2CC[C@H]([NH+]3CCCCC3)C2)c[nH+]1 ZINC000638028027 374571457 /nfs/dbraw/zinc/57/14/57/374571457.db2.gz DWGHAYCPVGCTCH-LBPRGKRZSA-N 2 2 276.388 0.362 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)NCCC[NH+]1CCOCC1 ZINC000638047423 374590129 /nfs/dbraw/zinc/59/01/29/374590129.db2.gz HTXBOVKWQNKXAP-UHFFFAOYSA-N 2 2 281.356 0.499 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000638050169 374591475 /nfs/dbraw/zinc/59/14/75/374591475.db2.gz SGFVITBWFBAFIK-UHFFFAOYSA-N 2 2 295.383 0.887 20 0 CCADLP [NH3+]C[C@]1(C(=O)NCc2cn3ccccc3[nH+]2)CCCOC1 ZINC000638051773 374594174 /nfs/dbraw/zinc/59/41/74/374594174.db2.gz QPCHBKASICDSDG-OAHLLOKOSA-N 2 2 288.351 0.706 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@H](C)[NH+]2CCSCC2)[C@@H](C)C1 ZINC000334220487 206211422 /nfs/dbraw/zinc/21/14/22/206211422.db2.gz RQQZQPXSWYNQDM-STQMWFEESA-N 2 2 285.457 0.976 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@H](C)[NH+]2CCSCC2)[C@@H](C)C1 ZINC000334220487 206211425 /nfs/dbraw/zinc/21/14/25/206211425.db2.gz RQQZQPXSWYNQDM-STQMWFEESA-N 2 2 285.457 0.976 20 0 CCADLP CCN(CC)C(=O)CCC[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422954027 284477003 /nfs/dbraw/zinc/47/70/03/284477003.db2.gz GWWSBGXCCVZUFZ-UONOGXRCSA-N 2 2 285.432 0.992 20 0 CCADLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cnc(N)nc2N)C1 ZINC000638059816 374606144 /nfs/dbraw/zinc/60/61/44/374606144.db2.gz XOYNXIURXRRCNL-GFCCVEGCSA-N 2 2 287.371 0.644 20 0 CCADLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cnc(N)nc2N)C1 ZINC000638059816 374606147 /nfs/dbraw/zinc/60/61/47/374606147.db2.gz XOYNXIURXRRCNL-GFCCVEGCSA-N 2 2 287.371 0.644 20 0 CCADLP O=C(CN1CC[NH2+]CC1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000638060911 374606924 /nfs/dbraw/zinc/60/69/24/374606924.db2.gz UPDOAQNLDQVURN-UHFFFAOYSA-N 2 2 285.351 0.716 20 0 CCADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000638069696 374616240 /nfs/dbraw/zinc/61/62/40/374616240.db2.gz RROXUVJJJSJYRU-WFASDCNBSA-N 2 2 292.383 0.531 20 0 CCADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000638069287 374618053 /nfs/dbraw/zinc/61/80/53/374618053.db2.gz OSPAKAOAAKHHHP-SWLSCSKDSA-N 2 2 292.383 0.531 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CCN(Cc2c[nH+]c(N)nc2N)C1 ZINC000638127525 374696764 /nfs/dbraw/zinc/69/67/64/374696764.db2.gz KSPRHNDPGMIXNU-NSHDSACASA-N 2 2 278.404 0.465 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CCN(Cc2c[nH+]c(N)nc2N)C1 ZINC000638127525 374696769 /nfs/dbraw/zinc/69/67/69/374696769.db2.gz KSPRHNDPGMIXNU-NSHDSACASA-N 2 2 278.404 0.465 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(CC(C)(C)[NH+]2CCOCC2)CC1 ZINC000638128197 374698335 /nfs/dbraw/zinc/69/83/35/374698335.db2.gz QAKCXPXPHJAJPD-OAHLLOKOSA-N 2 2 299.459 0.486 20 0 CCADLP C[C@@]1(C(=O)NCCCCNc2cccc[nH+]2)C[NH2+]CCO1 ZINC000638097872 374660976 /nfs/dbraw/zinc/66/09/76/374660976.db2.gz WXUDFFBUZNOXMV-HNNXBMFYSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1[nH+]c2cc(NC(=O)[C@@H]3OCC[C@@H]3[NH3+])ccc2n1C ZINC000638124628 374693557 /nfs/dbraw/zinc/69/35/57/374693557.db2.gz GDGRTRMBCNMGQW-GXFFZTMASA-N 2 2 274.324 0.936 20 0 CCADLP [NH3+]C[C@@H]1CN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CCO1 ZINC000638171508 374755016 /nfs/dbraw/zinc/75/50/16/374755016.db2.gz LNICMYAQXRWZJG-CYBMUJFWSA-N 2 2 286.335 0.876 20 0 CCADLP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC[NH+](C)CC1 ZINC000638149818 374722082 /nfs/dbraw/zinc/72/20/82/374722082.db2.gz PZBIKNOOIONMDZ-DZGCQCFKSA-N 2 2 291.395 0.693 20 0 CCADLP CCc1c[nH]c(CC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)[nH+]1 ZINC000638157071 374730655 /nfs/dbraw/zinc/73/06/55/374730655.db2.gz BESWVWQRPBKUAR-UWVGGRQHSA-N 2 2 250.346 0.723 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000638163757 374740581 /nfs/dbraw/zinc/74/05/81/374740581.db2.gz HOPGQKXMDMTOQT-QJPTWQEYSA-N 2 2 262.357 0.846 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC000638220818 374806566 /nfs/dbraw/zinc/80/65/66/374806566.db2.gz APODECSHPIELBF-LBPRGKRZSA-N 2 2 288.355 0.098 20 0 CCADLP Cn1nc2c(c1C[N@H+]1C[C@H]3C[NH2+]C[C@H]3C1)CCCC2 ZINC000638186384 374770273 /nfs/dbraw/zinc/77/02/73/374770273.db2.gz SCHFVRGEULWTMN-TXEJJXNPSA-N 2 2 260.385 0.950 20 0 CCADLP Cn1nc2c(c1C[N@@H+]1C[C@H]3C[NH2+]C[C@H]3C1)CCCC2 ZINC000638186384 374770278 /nfs/dbraw/zinc/77/02/78/374770278.db2.gz SCHFVRGEULWTMN-TXEJJXNPSA-N 2 2 260.385 0.950 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)[nH+]1 ZINC000638269422 374870253 /nfs/dbraw/zinc/87/02/53/374870253.db2.gz OKEBEFUGKBZZFU-MWLCHTKSSA-N 2 2 250.346 0.758 20 0 CCADLP O=C([C@@H]1CC[NH2+]CC1(F)F)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000343456825 284494342 /nfs/dbraw/zinc/49/43/42/284494342.db2.gz JYWHYVDWDUSMLM-AXFHLTTASA-N 2 2 273.327 0.584 20 0 CCADLP Cc1nc(N2CCN(C(=O)C3=CC[C@@H]([NH3+])C3)CC2)cc[nH+]1 ZINC000638285882 374893282 /nfs/dbraw/zinc/89/32/82/374893282.db2.gz JULPWQOJCBPSDW-CYBMUJFWSA-N 2 2 287.367 0.481 20 0 CCADLP C[C@]1(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C[NH2+]CCO1 ZINC000638289615 374897069 /nfs/dbraw/zinc/89/70/69/374897069.db2.gz LKCADMVAFIFBAT-IUODEOHRSA-N 2 2 290.367 0.155 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)[nH+]1 ZINC000638248984 374843825 /nfs/dbraw/zinc/84/38/25/374843825.db2.gz WUOZDGHAXIXBOL-CMPLNLGQSA-N 2 2 262.357 0.725 20 0 CCADLP Cc1cc(CNC(=O)[C@]2(C)C[NH2+]CCO2)cc(C)[nH+]1 ZINC000638354931 374952697 /nfs/dbraw/zinc/95/26/97/374952697.db2.gz YWSVEWQETXOQQX-AWEZNQCLSA-N 2 2 263.341 0.693 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638301192 374908125 /nfs/dbraw/zinc/90/81/25/374908125.db2.gz MFIHJBSAIUGSJV-ZDUSSCGKSA-N 2 2 266.345 0.110 20 0 CCADLP CCOC1CC(C[NH2+]CC(=O)N2CC[NH+](C)CC2)C1 ZINC000638440016 375042337 /nfs/dbraw/zinc/04/23/37/375042337.db2.gz MLNWDRSEPSLBNC-UHFFFAOYSA-N 2 2 269.389 0.165 20 0 CCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000638488992 375082781 /nfs/dbraw/zinc/08/27/81/375082781.db2.gz JSAXJBZIDUAMOC-RISCZKNCSA-N 2 2 291.399 0.557 20 0 CCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000638488990 375082936 /nfs/dbraw/zinc/08/29/36/375082936.db2.gz JSAXJBZIDUAMOC-BXUZGUMPSA-N 2 2 291.399 0.557 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000638529939 375120085 /nfs/dbraw/zinc/12/00/85/375120085.db2.gz VDDNTNUBMNPIRU-RRFJBIMHSA-N 3 2 290.411 0.137 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccccc1CC[NH3+] ZINC000638610885 375192815 /nfs/dbraw/zinc/19/28/15/375192815.db2.gz LQTMMGLPONLKGB-ZDUSSCGKSA-N 2 2 277.368 0.248 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccccc1CC[NH3+] ZINC000638610885 375192819 /nfs/dbraw/zinc/19/28/19/375192819.db2.gz LQTMMGLPONLKGB-ZDUSSCGKSA-N 2 2 277.368 0.248 20 0 CCADLP CO[C@@]1(C[NH2+]C[C@H](C)C[NH+]2CCOCC2)CCOC1 ZINC000638674375 375277974 /nfs/dbraw/zinc/27/79/74/375277974.db2.gz IFZIYLAWHXHWIS-UONOGXRCSA-N 2 2 272.389 0.350 20 0 CCADLP CN(CCOCC[NH3+])C(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000638672064 375273816 /nfs/dbraw/zinc/27/38/16/375273816.db2.gz CAQPVNNNXBMZBT-LBPRGKRZSA-N 2 2 287.310 0.398 20 0 CCADLP CCn1nc(C)c(CN(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)c1C ZINC000638831042 375397212 /nfs/dbraw/zinc/39/72/12/375397212.db2.gz WALDHMRKHFEUNX-CQSZACIVSA-N 2 2 295.431 0.757 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638917752 375454088 /nfs/dbraw/zinc/45/40/88/375454088.db2.gz SINHWGFQJYYCKV-JQWIXIFHSA-N 2 2 260.341 0.335 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639004964 375514485 /nfs/dbraw/zinc/51/44/85/375514485.db2.gz RZPAEKLQAIJHME-CHWSQXEVSA-N 2 2 291.399 0.147 20 0 CCADLP C[C@H](C(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21)[NH+]1CCN(C)CC1 ZINC000639023712 375528575 /nfs/dbraw/zinc/52/85/75/375528575.db2.gz LRTZFDDNRZRRJA-RBSFLKMASA-N 2 2 294.443 0.223 20 0 CCADLP CO[C@H](C[NH2+][C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCOC1 ZINC000639072654 375561388 /nfs/dbraw/zinc/56/13/88/375561388.db2.gz YHEUWDDODJVKHA-YNEHKIRRSA-N 2 2 265.357 0.839 20 0 CCADLP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@H](O)C(F)(F)F)CC1 ZINC000639097459 375576948 /nfs/dbraw/zinc/57/69/48/375576948.db2.gz ARJNZWKCTOSBEX-SNVBAGLBSA-N 2 2 284.322 0.735 20 0 CCADLP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000639217363 375638287 /nfs/dbraw/zinc/63/82/87/375638287.db2.gz GTZUZWSGGOQIJS-RBSFLKMASA-N 2 2 297.443 0.870 20 0 CCADLP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000639217363 375638289 /nfs/dbraw/zinc/63/82/89/375638289.db2.gz GTZUZWSGGOQIJS-RBSFLKMASA-N 2 2 297.443 0.870 20 0 CCADLP CO[C@H](C[NH2+][C@@H]1CCC[N@H+](CCCO)C1)C1CC1 ZINC000639218696 375641368 /nfs/dbraw/zinc/64/13/68/375641368.db2.gz LSZMESOQQGRGLB-ZIAGYGMSSA-N 2 2 256.390 0.848 20 0 CCADLP CO[C@H](C[NH2+][C@@H]1CCC[N@@H+](CCCO)C1)C1CC1 ZINC000639218696 375641375 /nfs/dbraw/zinc/64/13/75/375641375.db2.gz LSZMESOQQGRGLB-ZIAGYGMSSA-N 2 2 256.390 0.848 20 0 CCADLP Nc1nc(N)c(CN[C@H]2CC[N@@H+](C3CCCCC3)C2)c[nH+]1 ZINC000639318068 375724524 /nfs/dbraw/zinc/72/45/24/375724524.db2.gz BHIAWBWSOKIXSM-LBPRGKRZSA-N 2 2 290.415 0.798 20 0 CCADLP Nc1nc(N)c(CN[C@H]2CC[N@H+](C3CCCCC3)C2)c[nH+]1 ZINC000639318068 375724533 /nfs/dbraw/zinc/72/45/33/375724533.db2.gz BHIAWBWSOKIXSM-LBPRGKRZSA-N 2 2 290.415 0.798 20 0 CCADLP Cn1cc(CCC[NH2+]CC[N@@H+]2CC[C@@H](O)C2)cn1 ZINC000639354519 375755211 /nfs/dbraw/zinc/75/52/11/375755211.db2.gz IRCZONUARRKCQU-CYBMUJFWSA-N 2 2 252.362 0.009 20 0 CCADLP Cn1cc(CCC[NH2+]CC[N@H+]2CC[C@@H](O)C2)cn1 ZINC000639354519 375755221 /nfs/dbraw/zinc/75/52/21/375755221.db2.gz IRCZONUARRKCQU-CYBMUJFWSA-N 2 2 252.362 0.009 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC000639563871 375839594 /nfs/dbraw/zinc/83/95/94/375839594.db2.gz CBOVRPLNJUNZSO-VXGBXAGGSA-N 2 2 272.356 0.988 20 0 CCADLP Cn1nnc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)n1 ZINC000639754585 375980857 /nfs/dbraw/zinc/98/08/57/375980857.db2.gz CQIGFGAFUMFFCU-UHFFFAOYSA-N 2 2 250.350 0.128 20 0 CCADLP Cn1nnc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)n1 ZINC000639754585 375980867 /nfs/dbraw/zinc/98/08/67/375980867.db2.gz CQIGFGAFUMFFCU-UHFFFAOYSA-N 2 2 250.350 0.128 20 0 CCADLP Cc1nccnc1C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764011 375992367 /nfs/dbraw/zinc/99/23/67/375992367.db2.gz SBFJTLZFSFEMEO-AWEZNQCLSA-N 2 2 264.373 0.674 20 0 CCADLP Cc1nccnc1C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764011 375992372 /nfs/dbraw/zinc/99/23/72/375992372.db2.gz SBFJTLZFSFEMEO-AWEZNQCLSA-N 2 2 264.373 0.674 20 0 CCADLP CC(C)CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764927 375993514 /nfs/dbraw/zinc/99/35/14/375993514.db2.gz XDRLHWDIPOLMCV-ZBFHGGJFSA-N 2 2 299.459 0.926 20 0 CCADLP CC(C)CCNC(=O)[C@@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764927 375993521 /nfs/dbraw/zinc/99/35/21/375993521.db2.gz XDRLHWDIPOLMCV-ZBFHGGJFSA-N 2 2 299.459 0.926 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@@](C)(O)C(F)(F)F)C1 ZINC000639766361 375995741 /nfs/dbraw/zinc/99/57/41/375995741.db2.gz NPVFJSJHPXJPMX-GHMZBOCLSA-N 2 2 284.322 0.688 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@@](C)(O)C(F)(F)F)C1 ZINC000639766361 375995747 /nfs/dbraw/zinc/99/57/47/375995747.db2.gz NPVFJSJHPXJPMX-GHMZBOCLSA-N 2 2 284.322 0.688 20 0 CCADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000262054216 190047768 /nfs/dbraw/zinc/04/77/68/190047768.db2.gz AIEOFWKSAFKIER-MFKMUULPSA-N 2 2 274.324 0.327 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000639930765 376131315 /nfs/dbraw/zinc/13/13/15/376131315.db2.gz FTHDQPGMFMUWMM-NUEKZKHPSA-N 2 2 294.395 0.423 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000639930765 376131325 /nfs/dbraw/zinc/13/13/25/376131325.db2.gz FTHDQPGMFMUWMM-NUEKZKHPSA-N 2 2 294.395 0.423 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000639930765 376131331 /nfs/dbraw/zinc/13/13/31/376131331.db2.gz FTHDQPGMFMUWMM-NUEKZKHPSA-N 2 2 294.395 0.423 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000639930765 376131337 /nfs/dbraw/zinc/13/13/37/376131337.db2.gz FTHDQPGMFMUWMM-NUEKZKHPSA-N 2 2 294.395 0.423 20 0 CCADLP C[NH2+][C@H](C(=O)N1CC[NH+](CC2CC2)CC1)c1cnn(C)c1 ZINC000262359109 190053720 /nfs/dbraw/zinc/05/37/20/190053720.db2.gz KDMAGPSGIVPHOF-AWEZNQCLSA-N 2 2 291.399 0.235 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCC(C)(C)O1 ZINC000640051468 376215707 /nfs/dbraw/zinc/21/57/07/376215707.db2.gz NQFJGKBDMINZPQ-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCC(C)(C)O1 ZINC000640051468 376215714 /nfs/dbraw/zinc/21/57/14/376215714.db2.gz NQFJGKBDMINZPQ-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP O=C([C@H]1CCCc2[nH+]ccn21)N1CCn2cc[nH+]c2C1 ZINC000354468460 284562188 /nfs/dbraw/zinc/56/21/88/284562188.db2.gz XAVZZPPBLIFCEI-LLVKDONJSA-N 2 2 271.324 0.999 20 0 CCADLP [NH3+]C1(CNC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CCC1 ZINC000640467372 376383223 /nfs/dbraw/zinc/38/32/23/376383223.db2.gz XMTANMRTPIMZJE-CYBMUJFWSA-N 2 2 296.415 0.374 20 0 CCADLP O[C@H](CNc1[nH+]cnc2[nH]ccc21)C[NH+]1CCOCC1 ZINC000263782775 190078523 /nfs/dbraw/zinc/07/85/23/190078523.db2.gz LYYFECYOPPTGEJ-SNVBAGLBSA-N 2 2 277.328 0.063 20 0 CCADLP [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000262672190 190061068 /nfs/dbraw/zinc/06/10/68/190061068.db2.gz SBSNYHQHWGTGCA-AWEZNQCLSA-N 2 2 277.368 0.005 20 0 CCADLP CN(CC[NH+]1CCOCC1)c1ncnc2[nH]ccc21 ZINC000264073127 190090983 /nfs/dbraw/zinc/09/09/83/190090983.db2.gz LFTCHOMUBFCCIG-UHFFFAOYSA-N 2 2 261.329 0.726 20 0 CCADLP CN(CC[NH+]1CCOCC1)c1[nH+]cnc2[nH]ccc21 ZINC000264073127 190090984 /nfs/dbraw/zinc/09/09/84/190090984.db2.gz LFTCHOMUBFCCIG-UHFFFAOYSA-N 2 2 261.329 0.726 20 0 CCADLP CC(C)(C)[C@@H]([NH3+])c1cn(C[C@@H](O)C[NH+]2CCOCC2)nn1 ZINC000641209487 376883509 /nfs/dbraw/zinc/88/35/09/376883509.db2.gz YHRGDBNTMNRRPK-AAEUAGOBSA-N 2 2 297.403 0.017 20 0 CCADLP C[NH+](C)C1CCN(S(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000641274120 376958698 /nfs/dbraw/zinc/95/86/98/376958698.db2.gz UADRXHPPSQXMDT-UHFFFAOYSA-N 2 2 286.401 0.239 20 0 CCADLP Cn1c[nH+]c(CSc2nnnn2CC[NH+](C)C)c1 ZINC000641440723 377121224 /nfs/dbraw/zinc/12/12/24/377121224.db2.gz HIEWAIJTPVEAAE-UHFFFAOYSA-N 2 2 267.362 0.261 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC[NH+]1CCSCC1 ZINC000264841404 190138511 /nfs/dbraw/zinc/13/85/11/190138511.db2.gz JZPWLYFJNULKNN-LBPRGKRZSA-N 2 2 297.428 0.620 20 0 CCADLP C[C@@H](C[NH2+]Cc1ccncc1N)C[NH+]1CCOCC1 ZINC000641725094 377424700 /nfs/dbraw/zinc/42/47/00/377424700.db2.gz HBVJJVXQKUZEJD-LBPRGKRZSA-N 2 2 264.373 0.722 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)NCc1c[nH+]cn1C ZINC000641772296 377455136 /nfs/dbraw/zinc/45/51/36/377455136.db2.gz OJEADVNKSAESPQ-GFCCVEGCSA-N 2 2 254.378 0.603 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1cnc2cnccn12 ZINC000641773157 377456232 /nfs/dbraw/zinc/45/62/32/377456232.db2.gz VIFNDPGUFDIEJI-CYBMUJFWSA-N 2 2 291.399 0.912 20 0 CCADLP C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641788362 377464133 /nfs/dbraw/zinc/46/41/33/377464133.db2.gz YYIISAGLJWZSPS-HRCADAONSA-N 2 2 297.443 0.550 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)CO1 ZINC000641786314 377464408 /nfs/dbraw/zinc/46/44/08/377464408.db2.gz PGBPCVAWDVVXKN-OWCLPIDISA-N 2 2 297.443 0.550 20 0 CCADLP CC1(C)[C@H]([NH2+]Cc2nnnn2CC(F)(F)F)C[C@@H]1[NH3+] ZINC000641800870 377470974 /nfs/dbraw/zinc/47/09/74/377470974.db2.gz HOXFCBUYSRAWRO-NKWVEPMBSA-N 2 2 278.282 0.451 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)CCCC[NH+]1CCOCC1 ZINC000265069013 190155527 /nfs/dbraw/zinc/15/55/27/190155527.db2.gz VAKKMENIOMVOCC-UHFFFAOYSA-N 2 2 294.399 0.810 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@H]2CCc3nnnn3CC2)n1C ZINC000516194744 249155359 /nfs/dbraw/zinc/15/53/59/249155359.db2.gz UYWMOFMHHAXVKK-JTQLQIEISA-N 2 2 261.333 0.210 20 0 CCADLP C[NH+](C)C1(CNc2nc(N3CCOCC3)cc[nH+]2)CC1 ZINC000642310009 377556838 /nfs/dbraw/zinc/55/68/38/377556838.db2.gz NBOVFYBEMQKHEN-UHFFFAOYSA-N 2 2 277.372 0.819 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H](C)[NH+]2CC(C)C2)[C@@H](C)C1 ZINC000515356531 249130554 /nfs/dbraw/zinc/13/05/54/249130554.db2.gz XTPCWBCBEXTXDM-IHRRRGAJSA-N 2 2 283.416 0.240 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H](C)[NH+]2CC(C)C2)[C@@H](C)C1 ZINC000515356531 249130556 /nfs/dbraw/zinc/13/05/56/249130556.db2.gz XTPCWBCBEXTXDM-IHRRRGAJSA-N 2 2 283.416 0.240 20 0 CCADLP C[NH2+]CCC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000515379039 249131417 /nfs/dbraw/zinc/13/14/17/249131417.db2.gz DZEUXCYATKKQSD-UHFFFAOYSA-N 2 2 282.413 0.787 20 0 CCADLP C[NH2+]CCC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000515379039 249131420 /nfs/dbraw/zinc/13/14/20/249131420.db2.gz DZEUXCYATKKQSD-UHFFFAOYSA-N 2 2 282.413 0.787 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCc2cccc(F)c2)[C@@H](C[NH3+])C1 ZINC000515521398 249137974 /nfs/dbraw/zinc/13/79/74/249137974.db2.gz ONDXGEKIYOJTMN-ZDUSSCGKSA-N 2 2 280.347 0.610 20 0 CCADLP C[N@H+]1CCN(C(=O)NCc2cccc(F)c2)[C@@H](C[NH3+])C1 ZINC000515521398 249137977 /nfs/dbraw/zinc/13/79/77/249137977.db2.gz ONDXGEKIYOJTMN-ZDUSSCGKSA-N 2 2 280.347 0.610 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCCOC(F)F)C[C@H](C)O1 ZINC000516762724 249177625 /nfs/dbraw/zinc/17/76/25/249177625.db2.gz LMMSEELRDAQOLA-GRYCIOLGSA-N 2 2 296.358 0.675 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCCOC(F)F)C[C@H](C)O1 ZINC000516762724 249177627 /nfs/dbraw/zinc/17/76/27/249177627.db2.gz LMMSEELRDAQOLA-GRYCIOLGSA-N 2 2 296.358 0.675 20 0 CCADLP C[NH2+]CCC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000518179766 249241926 /nfs/dbraw/zinc/24/19/26/249241926.db2.gz FLXQZWJHDABTHP-STQMWFEESA-N 2 2 297.378 0.058 20 0 CCADLP C[NH2+]CCC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000518179766 249241928 /nfs/dbraw/zinc/24/19/28/249241928.db2.gz FLXQZWJHDABTHP-STQMWFEESA-N 2 2 297.378 0.058 20 0 CCADLP COC[C@]1(CNC(=O)C[C@H](C)n2cc[nH+]c2)CCC[NH2+]1 ZINC000569497613 291685031 /nfs/dbraw/zinc/68/50/31/291685031.db2.gz KUDVGLBOWFULFQ-GXTWGEPZSA-N 2 2 280.372 0.719 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[C@H]3CC[NH2+][C@H]3C2)nc[nH+]1 ZINC000643031889 377698278 /nfs/dbraw/zinc/69/82/78/377698278.db2.gz ZCHIQRJKKDOSEB-TUAOUCFPSA-N 2 2 277.372 0.458 20 0 CCADLP CCC[C@H](C)S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000657090342 412885942 /nfs/dbraw/zinc/88/59/42/412885942.db2.gz CBOOZZBMDOCGFC-ZDUSSCGKSA-N 2 2 293.477 0.978 20 0 CCADLP CCC[C@H](C)S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000657090342 412885945 /nfs/dbraw/zinc/88/59/45/412885945.db2.gz CBOOZZBMDOCGFC-ZDUSSCGKSA-N 2 2 293.477 0.978 20 0 CCADLP C[C@H](NC(=O)CC(F)(F)C[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000569617248 291695297 /nfs/dbraw/zinc/69/52/97/291695297.db2.gz VREQGNIMESLHOE-UWVGGRQHSA-N 2 2 279.331 0.196 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@H]2C[N@H+](C)CCO2)c[nH+]1 ZINC000266173032 190237433 /nfs/dbraw/zinc/23/74/33/190237433.db2.gz SXNHDUQJQRKDDG-GFCCVEGCSA-N 2 2 278.356 0.094 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@H]2C[N@@H+](C)CCO2)c[nH+]1 ZINC000266173032 190237434 /nfs/dbraw/zinc/23/74/34/190237434.db2.gz SXNHDUQJQRKDDG-GFCCVEGCSA-N 2 2 278.356 0.094 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000266449907 190258624 /nfs/dbraw/zinc/25/86/24/190258624.db2.gz BOZOUFPKFAQHNH-UHFFFAOYSA-N 2 2 254.334 0.416 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000266449907 190258625 /nfs/dbraw/zinc/25/86/25/190258625.db2.gz BOZOUFPKFAQHNH-UHFFFAOYSA-N 2 2 254.334 0.416 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCn1cc[nH+]c1 ZINC000278900316 194202516 /nfs/dbraw/zinc/20/25/16/194202516.db2.gz YJGBNYZTVBEALL-ZDUSSCGKSA-N 2 2 295.387 0.245 20 0 CCADLP CCC[N@H+](CC)CCNC(=O)NCc1[nH+]ccn1C ZINC000266938898 190292465 /nfs/dbraw/zinc/29/24/65/190292465.db2.gz HOIALOIKYQRZAW-UHFFFAOYSA-N 2 2 267.377 0.951 20 0 CCADLP CCC[N@@H+](CC)CCNC(=O)NCc1[nH+]ccn1C ZINC000266938898 190292466 /nfs/dbraw/zinc/29/24/66/190292466.db2.gz HOIALOIKYQRZAW-UHFFFAOYSA-N 2 2 267.377 0.951 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)CC[NH+](C)C ZINC000267036269 190298217 /nfs/dbraw/zinc/29/82/17/190298217.db2.gz JBAHHXQRLOFCCC-NSHDSACASA-N 2 2 253.350 0.475 20 0 CCADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)NC[C@H]1CCCO1 ZINC000267508235 190335461 /nfs/dbraw/zinc/33/54/61/190335461.db2.gz YEGSIJAXHYKQED-CQSZACIVSA-N 2 2 292.383 0.815 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000570206566 291740877 /nfs/dbraw/zinc/74/08/77/291740877.db2.gz PDJDCEYSEQMLGQ-ZDUSSCGKSA-N 2 2 274.324 0.462 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCCN(CCCO)C2)n1C ZINC000570345729 291751249 /nfs/dbraw/zinc/75/12/49/291751249.db2.gz UMIAPLNRVQPUHZ-CYBMUJFWSA-N 2 2 266.389 0.665 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000334823161 207140052 /nfs/dbraw/zinc/14/00/52/207140052.db2.gz XDUGJOKQAINOIZ-JTQLQIEISA-N 2 2 270.283 0.931 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCO1 ZINC000574756860 335045166 /nfs/dbraw/zinc/04/51/66/335045166.db2.gz FNLLNLMDNQYVBD-MGPQQGTHSA-N 2 2 253.390 0.248 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCO1 ZINC000574756860 335045168 /nfs/dbraw/zinc/04/51/68/335045168.db2.gz FNLLNLMDNQYVBD-MGPQQGTHSA-N 2 2 253.390 0.248 20 0 CCADLP [NH3+][C@H]1C[C@@H](C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000574759920 335045586 /nfs/dbraw/zinc/04/55/86/335045586.db2.gz RNWGKKSLTDETHU-OCAPTIKFSA-N 2 2 276.262 0.799 20 0 CCADLP OC1CC[NH+](CCC[NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000657326644 412962647 /nfs/dbraw/zinc/96/26/47/412962647.db2.gz QSILOPHSXODCDW-UHFFFAOYSA-N 2 2 278.400 0.766 20 0 CCADLP C[C@@H]1CCN(C(=O)[C@H]([NH3+])c2cscn2)C[C@H]1C[NH3+] ZINC000571324730 291807089 /nfs/dbraw/zinc/80/70/89/291807089.db2.gz GPWCCFPYGFDXHF-FXPVBKGRSA-N 2 2 268.386 0.586 20 0 CCADLP C[C@@H]([NH3+])CC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000423933914 532952466 /nfs/dbraw/zinc/95/24/66/532952466.db2.gz XMHURZLGNNUMQS-VXGBXAGGSA-N 2 2 292.383 0.865 20 0 CCADLP C[C@H](C[NH3+])N(C)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000571520869 291819806 /nfs/dbraw/zinc/81/98/06/291819806.db2.gz KHNANFVDKWFFCS-SNVBAGLBSA-N 2 2 259.313 0.687 20 0 CCADLP COCCN1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC000449384572 532981466 /nfs/dbraw/zinc/98/14/66/532981466.db2.gz BXDPLCKPCCUEIT-CABCVRRESA-N 2 2 285.432 0.144 20 0 CCADLP COCCN1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC000449384572 532981469 /nfs/dbraw/zinc/98/14/69/532981469.db2.gz BXDPLCKPCCUEIT-CABCVRRESA-N 2 2 285.432 0.144 20 0 CCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C1 ZINC000423486807 285056092 /nfs/dbraw/zinc/05/60/92/285056092.db2.gz SUUNGOCUGWNMIL-ZIAGYGMSSA-N 3 2 255.406 0.829 20 0 CCADLP COCC[N@H+]1CC[C@@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C1 ZINC000423486807 285056098 /nfs/dbraw/zinc/05/60/98/285056098.db2.gz SUUNGOCUGWNMIL-ZIAGYGMSSA-N 3 2 255.406 0.829 20 0 CCADLP Cc1c[nH]c(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)n1 ZINC000657363187 412973517 /nfs/dbraw/zinc/97/35/17/412973517.db2.gz MHOGGWUXDCMGBZ-AWEZNQCLSA-N 2 2 293.415 0.214 20 0 CCADLP Cn1ncc(C2CCC2)c1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000657435194 412989187 /nfs/dbraw/zinc/98/91/87/412989187.db2.gz LEYXLHICTGAQCI-OAHLLOKOSA-N 2 2 278.400 0.844 20 0 CCADLP Cn1ncc(C2CCC2)c1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000657435194 412989192 /nfs/dbraw/zinc/98/91/92/412989192.db2.gz LEYXLHICTGAQCI-OAHLLOKOSA-N 2 2 278.400 0.844 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](O)[C@@H](C)C2)CC1 ZINC000249602117 285132946 /nfs/dbraw/zinc/13/29/46/285132946.db2.gz YPNJOIWVFYKZHN-IHRRRGAJSA-N 2 2 283.416 0.242 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](O)[C@@H](C)C2)CC1 ZINC000249602117 285132949 /nfs/dbraw/zinc/13/29/49/285132949.db2.gz YPNJOIWVFYKZHN-IHRRRGAJSA-N 2 2 283.416 0.242 20 0 CCADLP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657439119 412993041 /nfs/dbraw/zinc/99/30/41/412993041.db2.gz UHGGNKMYMRBBPY-CQSZACIVSA-N 3 2 291.443 0.945 20 0 CCADLP OCC[NH+]1CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000258832820 285152959 /nfs/dbraw/zinc/15/29/59/285152959.db2.gz WTZALNXWEBJWQD-UHFFFAOYSA-N 2 2 263.345 0.165 20 0 CCADLP C[C@@H](C(=O)N1CC[NH2+][C@H](c2ccncc2)C1)[NH+]1CC(C)C1 ZINC000572422309 291878960 /nfs/dbraw/zinc/87/89/60/291878960.db2.gz XZARQIHIYHQKRD-ZFWWWQNUSA-N 2 2 288.395 0.895 20 0 CCADLP C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657454773 412995618 /nfs/dbraw/zinc/99/56/18/412995618.db2.gz LVAVFHHEGNVMTR-ZWNOBZJWSA-N 2 2 251.330 0.459 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](O)C2CCC2)n1C ZINC000316522978 285176921 /nfs/dbraw/zinc/17/69/21/285176921.db2.gz ZLJANPYIYVBNCG-GFCCVEGCSA-N 2 2 252.362 0.737 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[NH2+][C@](C)(C[NH3+])C2CC2)CC1 ZINC000430568037 285188788 /nfs/dbraw/zinc/18/87/88/285188788.db2.gz GSVPPOWKPHSXLA-OAHLLOKOSA-N 3 2 282.432 0.304 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000374071042 285204492 /nfs/dbraw/zinc/20/44/92/285204492.db2.gz WXBSPWMQZZCHBT-GASCZTMLSA-N 2 2 295.427 0.839 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000374071042 285204493 /nfs/dbraw/zinc/20/44/93/285204493.db2.gz WXBSPWMQZZCHBT-GASCZTMLSA-N 2 2 295.427 0.839 20 0 CCADLP OC[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)[C@H]1CCCOC1 ZINC000657497105 413010553 /nfs/dbraw/zinc/01/05/53/413010553.db2.gz ULCFMGSWTQECLH-WCQYABFASA-N 2 2 265.357 0.706 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000575044373 335058448 /nfs/dbraw/zinc/05/84/48/335058448.db2.gz XRHSBFOFQZCRGX-NWDGAFQWSA-N 2 2 284.404 0.276 20 0 CCADLP C[C@H](C[NH3+])C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000286015921 388825860 /nfs/dbraw/zinc/82/58/60/388825860.db2.gz JOZKQYVECCZGDA-OLZOCXBDSA-N 2 2 276.384 0.882 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000040598869 388852725 /nfs/dbraw/zinc/85/27/25/388852725.db2.gz XORSBTUXBXWZGM-OLZOCXBDSA-N 2 2 269.389 0.213 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000040598869 388852731 /nfs/dbraw/zinc/85/27/31/388852731.db2.gz XORSBTUXBXWZGM-OLZOCXBDSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1n1cc[nH+]c1 ZINC000289769799 388891272 /nfs/dbraw/zinc/89/12/72/388891272.db2.gz ILDSBBGVVGEYRS-QWHCGFSZSA-N 2 2 277.372 0.791 20 0 CCADLP C[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1n1cc[nH+]c1 ZINC000289769799 388891277 /nfs/dbraw/zinc/89/12/77/388891277.db2.gz ILDSBBGVVGEYRS-QWHCGFSZSA-N 2 2 277.372 0.791 20 0 CCADLP C[C@]1(C(=O)NCCCn2cc[nH+]c2)CCC[NH2+]C1 ZINC000062853250 388939536 /nfs/dbraw/zinc/93/95/36/388939536.db2.gz SDMJGYYIRPWDJG-ZDUSSCGKSA-N 2 2 250.346 0.779 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000292294296 388947966 /nfs/dbraw/zinc/94/79/66/388947966.db2.gz KUHYQDMNTIIVTD-UHFFFAOYSA-N 2 2 277.372 0.657 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCSCC[NH+]1CCOCC1 ZINC000188286067 262288987 /nfs/dbraw/zinc/28/89/87/262288987.db2.gz GEWWURXABXKDKR-CYBMUJFWSA-N 2 2 274.430 0.773 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCSCC[NH+]1CCOCC1 ZINC000188286067 262288988 /nfs/dbraw/zinc/28/89/88/262288988.db2.gz GEWWURXABXKDKR-CYBMUJFWSA-N 2 2 274.430 0.773 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000293001478 388976562 /nfs/dbraw/zinc/97/65/62/388976562.db2.gz LCCVRKGERKGWKS-LBPRGKRZSA-N 2 2 278.356 0.984 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000293001478 388976566 /nfs/dbraw/zinc/97/65/66/388976566.db2.gz LCCVRKGERKGWKS-LBPRGKRZSA-N 2 2 278.356 0.984 20 0 CCADLP C[C@@H]1[N@H+](C[C@H](O)C[NH+](C)C2CC2)CCOC1(C)C ZINC000336788940 389018969 /nfs/dbraw/zinc/01/89/69/389018969.db2.gz HXWGYBIVCUOEEL-WCQYABFASA-N 2 2 256.390 0.941 20 0 CCADLP C[C@@H]1[N@@H+](C[C@H](O)C[NH+](C)C2CC2)CCOC1(C)C ZINC000336788940 389018970 /nfs/dbraw/zinc/01/89/70/389018970.db2.gz HXWGYBIVCUOEEL-WCQYABFASA-N 2 2 256.390 0.941 20 0 CCADLP C[C@@H]1[NH+](C[C@H](O)C[N@H+](C)C2CC2)CCOC1(C)C ZINC000336788940 389018972 /nfs/dbraw/zinc/01/89/72/389018972.db2.gz HXWGYBIVCUOEEL-WCQYABFASA-N 2 2 256.390 0.941 20 0 CCADLP C[C@@H]1[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CCOC1(C)C ZINC000336788940 389018976 /nfs/dbraw/zinc/01/89/76/389018976.db2.gz HXWGYBIVCUOEEL-WCQYABFASA-N 2 2 256.390 0.941 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCN(C)[C@H]1CC[NH+](C2CC2)C1 ZINC000337171750 389050497 /nfs/dbraw/zinc/05/04/97/389050497.db2.gz GBBKDNYMNUTLBM-HIFRSBDPSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCN(C)[C@H]1CC[NH+](C2CC2)C1 ZINC000337171750 389050500 /nfs/dbraw/zinc/05/05/00/389050500.db2.gz GBBKDNYMNUTLBM-HIFRSBDPSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000337171750 389050505 /nfs/dbraw/zinc/05/05/05/389050505.db2.gz GBBKDNYMNUTLBM-HIFRSBDPSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000337171750 389050508 /nfs/dbraw/zinc/05/05/08/389050508.db2.gz GBBKDNYMNUTLBM-HIFRSBDPSA-N 2 2 267.417 0.876 20 0 CCADLP Cc1cc(N2CCN(c3[nH+]ccn3C)CC2)nc[nH+]1 ZINC000301399876 389052638 /nfs/dbraw/zinc/05/26/38/389052638.db2.gz PMXBLFQIFQUSMR-UHFFFAOYSA-N 2 2 258.329 0.845 20 0 CCADLP C[C@H]1C[N@H+](CCN(C)[C@@H]2CC[NH+](C3CC3)C2)CCO1 ZINC000337261160 389058326 /nfs/dbraw/zinc/05/83/26/389058326.db2.gz XRMHPDRCAHXARH-DZGCQCFKSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@H]1C[N@@H+](CCN(C)[C@@H]2CC[NH+](C3CC3)C2)CCO1 ZINC000337261160 389058328 /nfs/dbraw/zinc/05/83/28/389058328.db2.gz XRMHPDRCAHXARH-DZGCQCFKSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@H]1C[NH+](CCN(C)[C@@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC000337261160 389058332 /nfs/dbraw/zinc/05/83/32/389058332.db2.gz XRMHPDRCAHXARH-DZGCQCFKSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@H]1C[NH+](CCN(C)[C@@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000337261160 389058334 /nfs/dbraw/zinc/05/83/34/389058334.db2.gz XRMHPDRCAHXARH-DZGCQCFKSA-N 2 2 267.417 0.876 20 0 CCADLP CC[NH+]1CCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000193591862 389073817 /nfs/dbraw/zinc/07/38/17/389073817.db2.gz SLCJOEYZPDOIPZ-CYBMUJFWSA-N 2 2 284.404 0.054 20 0 CCADLP C[C@H](NC(=O)C(C)(C)[NH+]1CCOCC1)C1=CC[N@H+](C)CC1 ZINC000338183078 389086068 /nfs/dbraw/zinc/08/60/68/389086068.db2.gz WYPUYLAALQPEFY-ZDUSSCGKSA-N 2 2 295.427 0.864 20 0 CCADLP C[C@H](NC(=O)C(C)(C)[NH+]1CCOCC1)C1=CC[N@@H+](C)CC1 ZINC000338183078 389086069 /nfs/dbraw/zinc/08/60/69/389086069.db2.gz WYPUYLAALQPEFY-ZDUSSCGKSA-N 2 2 295.427 0.864 20 0 CCADLP CC[NH+](CC)[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338196153 389088891 /nfs/dbraw/zinc/08/88/91/389088891.db2.gz MKUYQPKOYUFRRE-ZDUSSCGKSA-N 2 2 285.432 0.944 20 0 CCADLP CC(C)(CNC(=O)NCCn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000298644318 389036936 /nfs/dbraw/zinc/03/69/36/389036936.db2.gz JWFBVUNWNMUFOK-UHFFFAOYSA-N 2 2 295.387 0.293 20 0 CCADLP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000338287667 389107039 /nfs/dbraw/zinc/10/70/39/389107039.db2.gz PMPFSKHOMZBQFG-LLVKDONJSA-N 2 2 263.407 0.081 20 0 CCADLP CC[NH+](CC)CCC[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000338287667 389107041 /nfs/dbraw/zinc/10/70/41/389107041.db2.gz PMPFSKHOMZBQFG-LLVKDONJSA-N 2 2 263.407 0.081 20 0 CCADLP CCC[C@@H](C(=O)OCC)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313335129 389112396 /nfs/dbraw/zinc/11/23/96/389112396.db2.gz HGSFTESKRVUUSM-RYUDHWBXSA-N 2 2 258.362 0.768 20 0 CCADLP CCC[C@@H](C(=O)OCC)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313335129 389112397 /nfs/dbraw/zinc/11/23/97/389112397.db2.gz HGSFTESKRVUUSM-RYUDHWBXSA-N 2 2 258.362 0.768 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000356745242 389128033 /nfs/dbraw/zinc/12/80/33/389128033.db2.gz PQGBDUZTVQJBOU-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000356745242 389128035 /nfs/dbraw/zinc/12/80/35/389128035.db2.gz PQGBDUZTVQJBOU-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CNC(=O)[C@@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)CCO1 ZINC000359656217 389180302 /nfs/dbraw/zinc/18/03/02/389180302.db2.gz VYQBRABNESRFLW-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP CNC(=O)[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)CCO1 ZINC000359656217 389180304 /nfs/dbraw/zinc/18/03/04/389180304.db2.gz VYQBRABNESRFLW-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP CNC(=O)[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)CCO1 ZINC000359656217 389180306 /nfs/dbraw/zinc/18/03/06/389180306.db2.gz VYQBRABNESRFLW-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP CNC(=O)[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)CCO1 ZINC000359656217 389180308 /nfs/dbraw/zinc/18/03/08/389180308.db2.gz VYQBRABNESRFLW-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CSC[NH2+]1 ZINC000360169481 389193223 /nfs/dbraw/zinc/19/32/23/389193223.db2.gz JIVXUXGSYVRUDF-MIMYLULJSA-N 2 2 255.387 0.248 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CSC[NH2+]1 ZINC000360169481 389193226 /nfs/dbraw/zinc/19/32/26/389193226.db2.gz JIVXUXGSYVRUDF-MIMYLULJSA-N 2 2 255.387 0.248 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360562041 389199750 /nfs/dbraw/zinc/19/97/50/389199750.db2.gz KWAJDAWRMDAASX-SWLSCSKDSA-N 2 2 296.415 0.542 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360562041 389199754 /nfs/dbraw/zinc/19/97/54/389199754.db2.gz KWAJDAWRMDAASX-SWLSCSKDSA-N 2 2 296.415 0.542 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)NCC(F)(F)F)C[C@H]21 ZINC000228474867 389153920 /nfs/dbraw/zinc/15/39/20/389153920.db2.gz JVRQAPMKZRTUBI-IVZWLZJFSA-N 2 2 279.306 0.724 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)NCC(F)(F)F)C[C@H]21 ZINC000228474867 389153922 /nfs/dbraw/zinc/15/39/22/389153922.db2.gz JVRQAPMKZRTUBI-IVZWLZJFSA-N 2 2 279.306 0.724 20 0 CCADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000359030471 389165626 /nfs/dbraw/zinc/16/56/26/389165626.db2.gz NTNLIOVSXVZFGS-WDEREUQCSA-N 2 2 260.403 0.493 20 0 CCADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000359030471 389165628 /nfs/dbraw/zinc/16/56/28/389165628.db2.gz NTNLIOVSXVZFGS-WDEREUQCSA-N 2 2 260.403 0.493 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC000125745522 389167299 /nfs/dbraw/zinc/16/72/99/389167299.db2.gz WZARCVFAWJWARM-YNEHKIRRSA-N 2 2 262.357 0.859 20 0 CCADLP O=C1[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCN1CC(F)(F)F ZINC000359282770 389170257 /nfs/dbraw/zinc/17/02/57/389170257.db2.gz TWWZRMYZQXLPLC-KXUCPTDWSA-N 2 2 277.290 0.301 20 0 CCADLP O=C1[C@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCN1CC(F)(F)F ZINC000359282770 389170259 /nfs/dbraw/zinc/17/02/59/389170259.db2.gz TWWZRMYZQXLPLC-KXUCPTDWSA-N 2 2 277.290 0.301 20 0 CCADLP CC[C@@]1(C(=O)N2CC[NH+](C3CC3)CC2)CCC[NH2+]1 ZINC000128944591 389179050 /nfs/dbraw/zinc/17/90/50/389179050.db2.gz PTMOVSKGJMVGJO-AWEZNQCLSA-N 2 2 251.374 0.825 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000342698689 389244007 /nfs/dbraw/zinc/24/40/07/389244007.db2.gz HJIXHYBGTHHXJT-QWRGUYRKSA-N 2 2 291.342 0.068 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000342699260 389244085 /nfs/dbraw/zinc/24/40/85/389244085.db2.gz VYMZTPUCECKOMY-MNOVXSKESA-N 2 2 291.342 0.068 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000342699260 389244090 /nfs/dbraw/zinc/24/40/90/389244090.db2.gz VYMZTPUCECKOMY-MNOVXSKESA-N 2 2 291.342 0.068 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000249040740 389251802 /nfs/dbraw/zinc/25/18/02/389251802.db2.gz MWGVVTBGPUBZTR-LSDHHAIUSA-N 2 2 267.417 0.877 20 0 CCADLP C[C@H]1COCC[N@H+]1CCN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000249040740 389251805 /nfs/dbraw/zinc/25/18/05/389251805.db2.gz MWGVVTBGPUBZTR-LSDHHAIUSA-N 2 2 267.417 0.877 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)N1CCOCC1 ZINC000343080786 389257346 /nfs/dbraw/zinc/25/73/46/389257346.db2.gz VBTZLEZWRDMUHM-QWHCGFSZSA-N 2 2 255.406 0.637 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)N1CCOCC1 ZINC000343080786 389257349 /nfs/dbraw/zinc/25/73/49/389257349.db2.gz VBTZLEZWRDMUHM-QWHCGFSZSA-N 2 2 255.406 0.637 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)N1CCOCC1 ZINC000343080788 389257488 /nfs/dbraw/zinc/25/74/88/389257488.db2.gz VBTZLEZWRDMUHM-STQMWFEESA-N 2 2 255.406 0.637 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)N1CCOCC1 ZINC000343080788 389257490 /nfs/dbraw/zinc/25/74/90/389257490.db2.gz VBTZLEZWRDMUHM-STQMWFEESA-N 2 2 255.406 0.637 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)C1 ZINC000343281959 389262103 /nfs/dbraw/zinc/26/21/03/389262103.db2.gz HOWQABHMMHGFGR-ZBFHGGJFSA-N 3 2 282.476 0.942 20 0 CCADLP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000131992030 389219124 /nfs/dbraw/zinc/21/91/24/389219124.db2.gz FHAVBHJTOHMCQQ-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@H]([C@H](C)NC(=O)NCc1[nH+]ccn1C)[NH+]1CCOCC1 ZINC000264332874 389321673 /nfs/dbraw/zinc/32/16/73/389321673.db2.gz XOPGSZALGRSGPV-NWDGAFQWSA-N 2 2 295.387 0.329 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)N(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343927568 389275642 /nfs/dbraw/zinc/27/56/42/389275642.db2.gz SHDSIJOKSBMRGL-KGLIPLIRSA-N 2 2 282.432 0.032 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343927568 389275643 /nfs/dbraw/zinc/27/56/43/389275643.db2.gz SHDSIJOKSBMRGL-KGLIPLIRSA-N 2 2 282.432 0.032 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261853708 389277313 /nfs/dbraw/zinc/27/73/13/389277313.db2.gz BKMAJOZFRGDVHC-LXTVHRRPSA-N 2 2 267.417 0.827 20 0 CCADLP C[N@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261853708 389277315 /nfs/dbraw/zinc/27/73/15/389277315.db2.gz BKMAJOZFRGDVHC-LXTVHRRPSA-N 2 2 267.417 0.827 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCN1CCOC(C)(C)C1 ZINC000344192726 389280168 /nfs/dbraw/zinc/28/01/68/389280168.db2.gz XLYLXLSSXFSYAK-STQMWFEESA-N 2 2 255.406 0.637 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCN1CCOC(C)(C)C1 ZINC000344192726 389280172 /nfs/dbraw/zinc/28/01/72/389280172.db2.gz XLYLXLSSXFSYAK-STQMWFEESA-N 2 2 255.406 0.637 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)[NH+]1CCOCC1 ZINC000262102992 389281686 /nfs/dbraw/zinc/28/16/86/389281686.db2.gz FSUHGHVJZZCDRI-KBXIAJHMSA-N 2 2 295.427 0.744 20 0 CCADLP C[N@@H+](CC(=O)NCC1CC1)C[C@H]1CCC[NH+](C)C1 ZINC000152371102 389289504 /nfs/dbraw/zinc/28/95/04/389289504.db2.gz WWJQJOIHEASPFI-ZDUSSCGKSA-N 2 2 253.390 0.786 20 0 CCADLP C[N@H+](CC(=O)NCC1CC1)C[C@H]1CCC[NH+](C)C1 ZINC000152371102 389289507 /nfs/dbraw/zinc/28/95/07/389289507.db2.gz WWJQJOIHEASPFI-ZDUSSCGKSA-N 2 2 253.390 0.786 20 0 CCADLP C[NH+](CC(=O)NCC1CC1)C[C@H]1CCC[N@H+](C)C1 ZINC000152371102 389289509 /nfs/dbraw/zinc/28/95/09/389289509.db2.gz WWJQJOIHEASPFI-ZDUSSCGKSA-N 2 2 253.390 0.786 20 0 CCADLP C[NH+](CC(=O)NCC1CC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152371102 389289510 /nfs/dbraw/zinc/28/95/10/389289510.db2.gz WWJQJOIHEASPFI-ZDUSSCGKSA-N 2 2 253.390 0.786 20 0 CCADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000263041436 389297401 /nfs/dbraw/zinc/29/74/01/389297401.db2.gz SWTCOKGPLUKPGW-UWVGGRQHSA-N 2 2 259.300 0.290 20 0 CCADLP CCOCC[NH+]1CCN(c2nc(N(C)C)cc[nH+]2)CC1 ZINC000153507028 389302600 /nfs/dbraw/zinc/30/26/00/389302600.db2.gz PYAJYELHZLHJRU-UHFFFAOYSA-N 2 2 279.388 0.701 20 0 CCADLP CC(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369269013 389392560 /nfs/dbraw/zinc/39/25/60/389392560.db2.gz VBSCHWLZYIDHRR-GFCCVEGCSA-N 2 2 253.390 0.927 20 0 CCADLP CC(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369269013 389392564 /nfs/dbraw/zinc/39/25/64/389392564.db2.gz VBSCHWLZYIDHRR-GFCCVEGCSA-N 2 2 253.390 0.927 20 0 CCADLP C[C@@H]1CN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C[C@H]1[NH+](C)C ZINC000332984072 389399414 /nfs/dbraw/zinc/39/94/14/389399414.db2.gz AUBPTXQELABOLP-FRRDWIJNSA-N 2 2 291.399 0.789 20 0 CCADLP C[C@H](CCn1cccn1)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000158838300 389352888 /nfs/dbraw/zinc/35/28/88/389352888.db2.gz MITCNLAPDWVWKG-KGLIPLIRSA-N 2 2 265.405 0.497 20 0 CCADLP C[C@H](CCn1cccn1)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000158838300 389352891 /nfs/dbraw/zinc/35/28/91/389352891.db2.gz MITCNLAPDWVWKG-KGLIPLIRSA-N 2 2 265.405 0.497 20 0 CCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158958453 389355064 /nfs/dbraw/zinc/35/50/64/389355064.db2.gz NPMBQLVGEDIRPF-CHWSQXEVSA-N 2 2 253.390 0.927 20 0 CCADLP CC(C)NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158958453 389355069 /nfs/dbraw/zinc/35/50/69/389355069.db2.gz NPMBQLVGEDIRPF-CHWSQXEVSA-N 2 2 253.390 0.927 20 0 CCADLP CC(C)NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158958453 389355073 /nfs/dbraw/zinc/35/50/73/389355073.db2.gz NPMBQLVGEDIRPF-CHWSQXEVSA-N 2 2 253.390 0.927 20 0 CCADLP CC(C)NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158958453 389355078 /nfs/dbraw/zinc/35/50/78/389355078.db2.gz NPMBQLVGEDIRPF-CHWSQXEVSA-N 2 2 253.390 0.927 20 0 CCADLP CC(C)[C@H](C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1)[C@H](C)[NH3+] ZINC000332708950 389359112 /nfs/dbraw/zinc/35/91/12/389359112.db2.gz YBZGQGBEOOQQSJ-FQUUOJAGSA-N 2 2 283.416 0.537 20 0 CCADLP CC(C)[C@H](C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1)[C@H](C)[NH3+] ZINC000332708950 389359115 /nfs/dbraw/zinc/35/91/15/389359115.db2.gz YBZGQGBEOOQQSJ-FQUUOJAGSA-N 2 2 283.416 0.537 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC(C)(C)N1CCOCC1 ZINC000422755141 389468145 /nfs/dbraw/zinc/46/81/45/389468145.db2.gz KGZSAJMXNBASNP-CHWSQXEVSA-N 2 2 255.406 0.685 20 0 CCADLP OC[C@@H](C[NH2+][C@@H]1CC[NH2+]C1)Cc1ccc(F)cc1 ZINC000422754952 389468148 /nfs/dbraw/zinc/46/81/48/389468148.db2.gz HFWWRKQJBQLTPH-TZMCWYRMSA-N 2 2 252.333 0.928 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC(C[NH2+]C)CC1 ZINC000422801264 389477675 /nfs/dbraw/zinc/47/76/75/389477675.db2.gz BOWYLBYWNSCOFF-OAHLLOKOSA-N 2 2 297.443 0.945 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CCC(C[NH2+]C)CC1 ZINC000422801264 389477679 /nfs/dbraw/zinc/47/76/79/389477679.db2.gz BOWYLBYWNSCOFF-OAHLLOKOSA-N 2 2 297.443 0.945 20 0 CCADLP O=C(NCC[C@@H]1CC[NH2+]C1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000422804322 389478017 /nfs/dbraw/zinc/47/80/17/389478017.db2.gz HJZJBACQMQEFFD-DZGCQCFKSA-N 2 2 295.427 0.746 20 0 CCADLP O=C(NCC[C@@H]1CC[NH2+]C1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000422804322 389478023 /nfs/dbraw/zinc/47/80/23/389478023.db2.gz HJZJBACQMQEFFD-DZGCQCFKSA-N 2 2 295.427 0.746 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1c1noc([C@@H]2CC[NH+](C)C2)n1 ZINC000350049441 389481181 /nfs/dbraw/zinc/48/11/81/389481181.db2.gz SLLATHOIFWRNQZ-MNOVXSKESA-N 2 2 265.361 0.407 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1c1noc([C@@H]2CC[NH+](C)C2)n1 ZINC000350049441 389481184 /nfs/dbraw/zinc/48/11/84/389481184.db2.gz SLLATHOIFWRNQZ-MNOVXSKESA-N 2 2 265.361 0.407 20 0 CCADLP CN1CC[NH+](C)C[C@H]1c1noc([C@@H]2CC[N@H+](C)C2)n1 ZINC000350049441 389481189 /nfs/dbraw/zinc/48/11/89/389481189.db2.gz SLLATHOIFWRNQZ-MNOVXSKESA-N 2 2 265.361 0.407 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000422845529 389489468 /nfs/dbraw/zinc/48/94/68/389489468.db2.gz CCGCEZMGRBTVRC-LBPRGKRZSA-N 2 2 273.340 0.980 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000422843843 389489735 /nfs/dbraw/zinc/48/97/35/389489735.db2.gz JTTFVRFQNJDPHA-MGPQQGTHSA-N 2 2 283.416 0.683 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000422843843 389489737 /nfs/dbraw/zinc/48/97/37/389489737.db2.gz JTTFVRFQNJDPHA-MGPQQGTHSA-N 2 2 283.416 0.683 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@@H]([NH3+])C(C)C ZINC000422845005 389489878 /nfs/dbraw/zinc/48/98/78/389489878.db2.gz APZPBTDLCBFQOA-CHWSQXEVSA-N 2 2 271.405 0.587 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@@H]([NH3+])C(C)C ZINC000422845005 389489881 /nfs/dbraw/zinc/48/98/81/389489881.db2.gz APZPBTDLCBFQOA-CHWSQXEVSA-N 2 2 271.405 0.587 20 0 CCADLP CN(C(=O)C1(C)COC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371709217 389436510 /nfs/dbraw/zinc/43/65/10/389436510.db2.gz UXDYOJAMSOYPDE-AWEZNQCLSA-N 2 2 295.427 0.650 20 0 CCADLP CN(C(=O)C1(C)COC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371709217 389436511 /nfs/dbraw/zinc/43/65/11/389436511.db2.gz UXDYOJAMSOYPDE-AWEZNQCLSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333674447 389439659 /nfs/dbraw/zinc/43/96/59/389439659.db2.gz NSFRAGWHBQDGGK-XHDPSFHLSA-N 2 2 294.399 0.439 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333674447 389439664 /nfs/dbraw/zinc/43/96/64/389439664.db2.gz NSFRAGWHBQDGGK-XHDPSFHLSA-N 2 2 294.399 0.439 20 0 CCADLP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CCC[C@H]3[NH3+])ccn2)CC1 ZINC000333785054 389443856 /nfs/dbraw/zinc/44/38/56/389443856.db2.gz FFJSKDUVKCMMJZ-CABCVRRESA-N 3 2 289.427 0.803 20 0 CCADLP C[C@@H]1CN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)[C@@H](C)C[NH2+]1 ZINC000333794869 389443984 /nfs/dbraw/zinc/44/39/84/389443984.db2.gz NBGSKUDZQZSJOE-OUAUKWLOSA-N 2 2 277.372 0.659 20 0 CCADLP C[C@@H]1CN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)[C@@H](C)C[NH2+]1 ZINC000333794869 389443986 /nfs/dbraw/zinc/44/39/86/389443986.db2.gz NBGSKUDZQZSJOE-OUAUKWLOSA-N 2 2 277.372 0.659 20 0 CCADLP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1COCC[NH2+]1 ZINC000169108293 389453015 /nfs/dbraw/zinc/45/30/15/389453015.db2.gz CNCKILYVUOSTQQ-KBPBESRZSA-N 2 2 281.400 0.356 20 0 CCADLP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1COCC[NH2+]1 ZINC000169108293 389453018 /nfs/dbraw/zinc/45/30/18/389453018.db2.gz CNCKILYVUOSTQQ-KBPBESRZSA-N 2 2 281.400 0.356 20 0 CCADLP CCCC[N@@H+](C)CCN[C@@H]1CC[NH2+][C@H]1C(=O)OCC ZINC000422707110 389454980 /nfs/dbraw/zinc/45/49/80/389454980.db2.gz GSOFEMHWVBVLAY-CHWSQXEVSA-N 2 2 271.405 0.602 20 0 CCADLP [NH3+][C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000422710207 389456863 /nfs/dbraw/zinc/45/68/63/389456863.db2.gz LBXOWVVMUXBVHZ-YPMHNXCESA-N 2 2 267.373 0.189 20 0 CCADLP [NH3+][C@@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000422710207 389456866 /nfs/dbraw/zinc/45/68/66/389456866.db2.gz LBXOWVVMUXBVHZ-YPMHNXCESA-N 2 2 267.373 0.189 20 0 CCADLP CCOC(=O)C1(O)CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000272040263 389459746 /nfs/dbraw/zinc/45/97/46/389459746.db2.gz XVOBTMUYJFAWJA-UHFFFAOYSA-N 2 2 281.356 0.663 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(OCCO)cc1 ZINC000422936784 389507933 /nfs/dbraw/zinc/50/79/33/389507933.db2.gz BVTVWIAROAQRPF-UKRRQHHQSA-N 2 2 294.395 0.914 20 0 CCADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)NC(=O)NC1CC1 ZINC000173954106 389513132 /nfs/dbraw/zinc/51/31/32/389513132.db2.gz CLCOCKPYNQJHKB-CYBMUJFWSA-N 2 2 296.415 0.781 20 0 CCADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)NC(=O)NC1CC1 ZINC000173954106 389513137 /nfs/dbraw/zinc/51/31/37/389513137.db2.gz CLCOCKPYNQJHKB-CYBMUJFWSA-N 2 2 296.415 0.781 20 0 CCADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC(=O)NC(=O)NC1CC1 ZINC000173954106 389513140 /nfs/dbraw/zinc/51/31/40/389513140.db2.gz CLCOCKPYNQJHKB-CYBMUJFWSA-N 2 2 296.415 0.781 20 0 CCADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC(=O)NC(=O)NC1CC1 ZINC000173954106 389513145 /nfs/dbraw/zinc/51/31/45/389513145.db2.gz CLCOCKPYNQJHKB-CYBMUJFWSA-N 2 2 296.415 0.781 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCNc1ccccn1 ZINC000422989283 389518290 /nfs/dbraw/zinc/51/82/90/389518290.db2.gz ATGCMNBRMMQAMS-OLZOCXBDSA-N 2 2 264.373 0.850 20 0 CCADLP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CCc1cc[nH+]cc1C ZINC000423008657 389521699 /nfs/dbraw/zinc/52/16/99/389521699.db2.gz AUGRWTRJJDCPIH-ZIAGYGMSSA-N 2 2 277.368 0.816 20 0 CCADLP C[C@](O)(C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)C(F)(F)F ZINC000423015230 389522530 /nfs/dbraw/zinc/52/25/30/389522530.db2.gz QNDLTUZWZJAJEH-MXWKQRLJSA-N 2 2 282.306 0.656 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)N1CC[NH+](CC2CC2)CC1 ZINC000276656396 389523969 /nfs/dbraw/zinc/52/39/69/389523969.db2.gz XKPLAIGJIYQZLL-ONEGZZNKSA-N 2 2 260.341 0.977 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1NCC1([NH+](C)C)CCC1 ZINC000423057357 389527857 /nfs/dbraw/zinc/52/78/57/389527857.db2.gz HESIEWQDQTWZSW-RYUDHWBXSA-N 2 2 269.389 0.354 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000276689567 389529409 /nfs/dbraw/zinc/52/94/09/389529409.db2.gz XJKJCWDDXFBBHT-GFCCVEGCSA-N 2 2 250.346 0.943 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000276689567 389529412 /nfs/dbraw/zinc/52/94/12/389529412.db2.gz XJKJCWDDXFBBHT-GFCCVEGCSA-N 2 2 250.346 0.943 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000276689567 389529415 /nfs/dbraw/zinc/52/94/15/389529415.db2.gz XJKJCWDDXFBBHT-GFCCVEGCSA-N 2 2 250.346 0.943 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000276689567 389529418 /nfs/dbraw/zinc/52/94/18/389529418.db2.gz XJKJCWDDXFBBHT-GFCCVEGCSA-N 2 2 250.346 0.943 20 0 CCADLP CC[C@@H]1CN(CC[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)CCO1 ZINC000423090609 389532787 /nfs/dbraw/zinc/53/27/87/389532787.db2.gz VUTCLOQAVXELNE-RBSFLKMASA-N 2 2 285.432 0.454 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](CCO)C[C@H]1C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000413859130 389572153 /nfs/dbraw/zinc/57/21/53/389572153.db2.gz JZXTXSDYBVRGQL-XQLPTFJDSA-N 2 2 297.443 0.773 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](CCO)C[C@H]1C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000413859130 389572156 /nfs/dbraw/zinc/57/21/56/389572156.db2.gz JZXTXSDYBVRGQL-XQLPTFJDSA-N 2 2 297.443 0.773 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(S(C)(=O)=O)CCCC1 ZINC000423110198 389536040 /nfs/dbraw/zinc/53/60/40/389536040.db2.gz OUTUJOCDUAWVIU-NEPJUHHUSA-N 2 2 274.430 0.931 20 0 CCADLP CC[C@H](C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C)[NH+](C)C ZINC000413678382 389549011 /nfs/dbraw/zinc/54/90/11/389549011.db2.gz VBEKYQBZVAYTEF-QWHCGFSZSA-N 2 2 299.415 0.422 20 0 CCADLP CC[C@H](C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C)[NH+](C)C ZINC000413678382 389549014 /nfs/dbraw/zinc/54/90/14/389549014.db2.gz VBEKYQBZVAYTEF-QWHCGFSZSA-N 2 2 299.415 0.422 20 0 CCADLP CC[C@@H](C(=O)N1CC[NH2+][C@H](c2cccnc2)C1)[NH+](C)C ZINC000413779361 389556466 /nfs/dbraw/zinc/55/64/66/389556466.db2.gz DZWFJDNULJGMPZ-KBPBESRZSA-N 2 2 276.384 0.895 20 0 CCADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000423242875 389556566 /nfs/dbraw/zinc/55/65/66/389556566.db2.gz WAHOGUZDNIGWGF-AAEUAGOBSA-N 2 2 297.424 0.997 20 0 CCADLP COC(=O)CNC(=O)CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374201348 389557069 /nfs/dbraw/zinc/55/70/69/389557069.db2.gz VAQPKGUJZQSMOL-UHFFFAOYSA-N 2 2 294.355 0.268 20 0 CCADLP C[C@H](CNC(=O)[C@H]1[NH2+]CCCC1(C)C)[NH+]1CCOCC1 ZINC000423317611 389564580 /nfs/dbraw/zinc/56/45/80/389564580.db2.gz CPOVECVWOUQMMF-CHWSQXEVSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@H]1CCC[N@H+](CCNC(=O)[C@H]([NH3+])c2cscn2)C1 ZINC000423330402 389567054 /nfs/dbraw/zinc/56/70/54/389567054.db2.gz NQMNJBYDBMIUKC-ZYHUDNBSSA-N 2 2 282.413 0.991 20 0 CCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@H]([NH3+])c2cscn2)C1 ZINC000423330402 389567058 /nfs/dbraw/zinc/56/70/58/389567058.db2.gz NQMNJBYDBMIUKC-ZYHUDNBSSA-N 2 2 282.413 0.991 20 0 CCADLP [NH3+]C[C@H](NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1)C1CC1 ZINC000422863870 389495414 /nfs/dbraw/zinc/49/54/14/389495414.db2.gz SPNBYAFGNJTJRY-UONOGXRCSA-N 2 2 281.400 0.341 20 0 CCADLP [NH3+]C[C@H](NC(=O)[C@H]1COCC[N@H+]1CC1CCC1)C1CC1 ZINC000422863870 389495416 /nfs/dbraw/zinc/49/54/16/389495416.db2.gz SPNBYAFGNJTJRY-UONOGXRCSA-N 2 2 281.400 0.341 20 0 CCADLP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000422866224 389496264 /nfs/dbraw/zinc/49/62/64/389496264.db2.gz QDTDBQYYQTWJNE-CFVMTHIKSA-N 2 2 295.427 0.873 20 0 CCADLP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000422866224 389496266 /nfs/dbraw/zinc/49/62/66/389496266.db2.gz QDTDBQYYQTWJNE-CFVMTHIKSA-N 2 2 295.427 0.873 20 0 CCADLP CCN(CC)S(=O)(=O)CC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422865619 389496581 /nfs/dbraw/zinc/49/65/81/389496581.db2.gz YUHCEUCZGSQMRL-OLZOCXBDSA-N 2 2 291.461 0.778 20 0 CCADLP Cn1c[nH+]cc1CCc1nc(Cc2c[nH+]cn2C)no1 ZINC000350189883 389498142 /nfs/dbraw/zinc/49/81/42/389498142.db2.gz KAJUDXQUGVAATB-UHFFFAOYSA-N 2 2 272.312 0.913 20 0 CCADLP CC[N@H+](CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])C1CC1 ZINC000422879849 389498434 /nfs/dbraw/zinc/49/84/34/389498434.db2.gz MVTFJRLPDWQUQB-MRVWCRGKSA-N 3 2 255.406 0.813 20 0 CCADLP CC[N@@H+](CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])C1CC1 ZINC000422879849 389498437 /nfs/dbraw/zinc/49/84/37/389498437.db2.gz MVTFJRLPDWQUQB-MRVWCRGKSA-N 3 2 255.406 0.813 20 0 CCADLP COCC[N@@H+]1CC[C@H](N[C@@H](C)c2c[nH+]ccc2N)C1 ZINC000422889921 389499875 /nfs/dbraw/zinc/49/98/75/389499875.db2.gz QVKZYGXGYQRJGK-RYUDHWBXSA-N 2 2 264.373 0.865 20 0 CCADLP COCC[N@H+]1CC[C@H](N[C@@H](C)c2c[nH+]ccc2N)C1 ZINC000422889921 389499878 /nfs/dbraw/zinc/49/98/78/389499878.db2.gz QVKZYGXGYQRJGK-RYUDHWBXSA-N 2 2 264.373 0.865 20 0 CCADLP COCCN1CC[C@H]([NH2+][C@@H](C)c2c[nH+]ccc2N)C1 ZINC000422889921 389499882 /nfs/dbraw/zinc/49/98/82/389499882.db2.gz QVKZYGXGYQRJGK-RYUDHWBXSA-N 2 2 264.373 0.865 20 0 CCADLP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)CC[NH2+]CC1 ZINC000422905444 389503430 /nfs/dbraw/zinc/50/34/30/389503430.db2.gz SCFWVMNBVFYEAW-UONOGXRCSA-N 3 2 297.443 0.992 20 0 CCADLP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)CC[NH2+]CC1 ZINC000422905444 389503437 /nfs/dbraw/zinc/50/34/37/389503437.db2.gz SCFWVMNBVFYEAW-UONOGXRCSA-N 3 2 297.443 0.992 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)n1C ZINC000414358026 389613040 /nfs/dbraw/zinc/61/30/40/389613040.db2.gz AZQPONGGLWECAE-LLVKDONJSA-N 2 2 293.415 0.975 20 0 CCADLP COCCn1cc(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)cn1 ZINC000414955963 389647735 /nfs/dbraw/zinc/64/77/35/389647735.db2.gz PDQRNDMWINRNBP-YPMHNXCESA-N 2 2 252.362 0.760 20 0 CCADLP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC[NH2+]1 ZINC000414719373 389632281 /nfs/dbraw/zinc/63/22/81/389632281.db2.gz YECVSVOPKGPPIP-RBSFLKMASA-N 3 2 294.443 0.271 20 0 CCADLP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC[NH2+]1 ZINC000414719373 389632284 /nfs/dbraw/zinc/63/22/84/389632284.db2.gz YECVSVOPKGPPIP-RBSFLKMASA-N 3 2 294.443 0.271 20 0 CCADLP Cc1cc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])nn1C ZINC000414757739 389635633 /nfs/dbraw/zinc/63/56/33/389635633.db2.gz BLTHQIACLGLGQS-AWEZNQCLSA-N 2 2 293.415 0.548 20 0 CCADLP Cc1cc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])nn1C ZINC000414757739 389635638 /nfs/dbraw/zinc/63/56/38/389635638.db2.gz BLTHQIACLGLGQS-AWEZNQCLSA-N 2 2 293.415 0.548 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+](C)CCCNC(=O)C1CCC1)C1CC1 ZINC000351628801 389640828 /nfs/dbraw/zinc/64/08/28/389640828.db2.gz NSYVYUPIYZYEKH-HNNXBMFYSA-N 2 2 297.443 0.680 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+](C)CCCNC(=O)C1CCC1)C1CC1 ZINC000351628801 389640831 /nfs/dbraw/zinc/64/08/31/389640831.db2.gz NSYVYUPIYZYEKH-HNNXBMFYSA-N 2 2 297.443 0.680 20 0 CCADLP C[NH+](CCCNC(=O)C1CCC1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351628801 389640835 /nfs/dbraw/zinc/64/08/35/389640835.db2.gz NSYVYUPIYZYEKH-HNNXBMFYSA-N 2 2 297.443 0.680 20 0 CCADLP C[NH+](CCCNC(=O)C1CCC1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351628801 389640839 /nfs/dbraw/zinc/64/08/39/389640839.db2.gz NSYVYUPIYZYEKH-HNNXBMFYSA-N 2 2 297.443 0.680 20 0 CCADLP COCC[NH2+]CC[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000414869129 389641211 /nfs/dbraw/zinc/64/12/11/389641211.db2.gz FPEBJJJSEUKRSF-UHFFFAOYSA-N 2 2 265.357 0.971 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000336523601 389642049 /nfs/dbraw/zinc/64/20/49/389642049.db2.gz MPYNHUHZBFESAD-NSHDSACASA-N 2 2 262.357 0.994 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC000423373199 389575320 /nfs/dbraw/zinc/57/53/20/389575320.db2.gz IWPPFYVKFNRCHJ-UPJWGTAASA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC000423373199 389575323 /nfs/dbraw/zinc/57/53/23/389575323.db2.gz IWPPFYVKFNRCHJ-UPJWGTAASA-N 2 2 269.389 0.211 20 0 CCADLP Cn1c[nH+]cc1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000177211638 389575845 /nfs/dbraw/zinc/57/58/45/389575845.db2.gz HQVUEURPCXSMBR-ZDUSSCGKSA-N 2 2 264.373 0.574 20 0 CCADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000423390091 389577696 /nfs/dbraw/zinc/57/76/96/389577696.db2.gz VRZSDSKAJNKOTR-GRYCIOLGSA-N 2 2 262.419 0.930 20 0 CCADLP C[C@H]1C[C@H](C)CN(C(=O)C[N@H+](C)C2CC([NH3+])C2)C1 ZINC000335659895 389581251 /nfs/dbraw/zinc/58/12/51/389581251.db2.gz NUEMHNDIFNMSLA-ZSVAQUKISA-N 2 2 253.390 0.912 20 0 CCADLP C[C@H]1C[C@H](C)CN(C(=O)C[N@@H+](C)C2CC([NH3+])C2)C1 ZINC000335659895 389581253 /nfs/dbraw/zinc/58/12/53/389581253.db2.gz NUEMHNDIFNMSLA-ZSVAQUKISA-N 2 2 253.390 0.912 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000351478973 389586458 /nfs/dbraw/zinc/58/64/58/389586458.db2.gz QFILSTMRGFTCAA-ZQDZILKHSA-N 3 2 294.443 0.208 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000351478973 389586463 /nfs/dbraw/zinc/58/64/63/389586463.db2.gz QFILSTMRGFTCAA-ZQDZILKHSA-N 3 2 294.443 0.208 20 0 CCADLP COC(=O)CC1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351475868 389586913 /nfs/dbraw/zinc/58/69/13/389586913.db2.gz JSPRBTUNJLXYDC-AWEZNQCLSA-N 2 2 284.400 0.717 20 0 CCADLP COC(=O)CC1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351475868 389586915 /nfs/dbraw/zinc/58/69/15/389586915.db2.gz JSPRBTUNJLXYDC-AWEZNQCLSA-N 2 2 284.400 0.717 20 0 CCADLP CC[C@@H](C(=O)NCC[N@H+]1CCOC(C)(C)C1)[NH+](C)C ZINC000177861608 389592151 /nfs/dbraw/zinc/59/21/51/389592151.db2.gz QKSXXXSYJDLFDF-LBPRGKRZSA-N 2 2 271.405 0.554 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000423514128 389596928 /nfs/dbraw/zinc/59/69/28/389596928.db2.gz DAYHPEDXKRMKEV-ZBFHGGJFSA-N 2 2 297.443 0.993 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000423514128 389596934 /nfs/dbraw/zinc/59/69/34/389596934.db2.gz DAYHPEDXKRMKEV-ZBFHGGJFSA-N 2 2 297.443 0.993 20 0 CCADLP Cc1ccc(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)c(C)[nH+]1 ZINC000351531125 389606007 /nfs/dbraw/zinc/60/60/07/389606007.db2.gz CSROMJFKQKLLMQ-LBPRGKRZSA-N 2 2 276.340 0.505 20 0 CCADLP CCOCCNC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375754795 389708759 /nfs/dbraw/zinc/70/87/59/389708759.db2.gz PTCYAFKLJSCQMM-PBWFPOADSA-N 2 2 283.416 0.696 20 0 CCADLP CCOCCNC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375754795 389708761 /nfs/dbraw/zinc/70/87/61/389708761.db2.gz PTCYAFKLJSCQMM-PBWFPOADSA-N 2 2 283.416 0.696 20 0 CCADLP CCOCCNC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375754795 389708765 /nfs/dbraw/zinc/70/87/65/389708765.db2.gz PTCYAFKLJSCQMM-PBWFPOADSA-N 2 2 283.416 0.696 20 0 CCADLP CCOCCNC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375754795 389708769 /nfs/dbraw/zinc/70/87/69/389708769.db2.gz PTCYAFKLJSCQMM-PBWFPOADSA-N 2 2 283.416 0.696 20 0 CCADLP COC(=O)[C@H]1C[C@H](OC)C[N@H+]1CCCn1cc[nH+]c1 ZINC000182779232 389716736 /nfs/dbraw/zinc/71/67/36/389716736.db2.gz BFNCLACCSODTOX-NWDGAFQWSA-N 2 2 267.329 0.536 20 0 CCADLP COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000182779232 389716739 /nfs/dbraw/zinc/71/67/39/389716739.db2.gz BFNCLACCSODTOX-NWDGAFQWSA-N 2 2 267.329 0.536 20 0 CCADLP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)c(OC)c1 ZINC000414968021 389649088 /nfs/dbraw/zinc/64/90/88/389649088.db2.gz RAJSKMAIHFGBGH-ZDUSSCGKSA-N 2 2 279.384 0.697 20 0 CCADLP CCOC(=O)Cn1nc(C)c(C[NH2+]C[C@H](C)[NH2+]C)c1C ZINC000414986915 389652273 /nfs/dbraw/zinc/65/22/73/389652273.db2.gz ODJWZRRJEFIVIN-JTQLQIEISA-N 2 2 282.388 0.761 20 0 CCADLP COCCn1cc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)cn1 ZINC000415048129 389654365 /nfs/dbraw/zinc/65/43/65/389654365.db2.gz WULJSIFYRUPQQY-GFCCVEGCSA-N 2 2 252.362 0.760 20 0 CCADLP COCCOc1ccccc1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000415073305 389655707 /nfs/dbraw/zinc/65/57/07/389655707.db2.gz YFIPFMJBSBDDQQ-ZDUSSCGKSA-N 2 2 268.357 0.463 20 0 CCADLP COCCOc1ccccc1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000415073305 389655712 /nfs/dbraw/zinc/65/57/12/389655712.db2.gz YFIPFMJBSBDDQQ-ZDUSSCGKSA-N 2 2 268.357 0.463 20 0 CCADLP Brc1cncc(C[NH2+]C[C@H]2C[NH2+]CCO2)c1 ZINC000415095861 389658120 /nfs/dbraw/zinc/65/81/20/389658120.db2.gz OKPIUQJKFYBJBG-LLVKDONJSA-N 2 2 286.173 0.922 20 0 CCADLP COCC[NH2+]CCNC(=O)Nc1cc[nH+]c(C)c1 ZINC000415400679 389680764 /nfs/dbraw/zinc/68/07/64/389680764.db2.gz UAXTVCVSFYRAJX-UHFFFAOYSA-N 2 2 252.318 0.169 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)COC(C)(C)C)CC1 ZINC000182126159 389701639 /nfs/dbraw/zinc/70/16/39/389701639.db2.gz UVUNNYUDPSKEMS-UHFFFAOYSA-N 2 2 285.432 0.944 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000351863200 389702527 /nfs/dbraw/zinc/70/25/27/389702527.db2.gz SVFXJLZUGMXDEP-DMDPSCGWSA-N 2 2 277.372 0.195 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000351863200 389702528 /nfs/dbraw/zinc/70/25/28/389702528.db2.gz SVFXJLZUGMXDEP-DMDPSCGWSA-N 2 2 277.372 0.195 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000428512074 389703622 /nfs/dbraw/zinc/70/36/22/389703622.db2.gz GDMDXOFFTFLWSM-UONOGXRCSA-N 2 2 283.416 0.386 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000428512074 389703625 /nfs/dbraw/zinc/70/36/25/389703625.db2.gz GDMDXOFFTFLWSM-UONOGXRCSA-N 2 2 283.416 0.386 20 0 CCADLP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000352177999 389765883 /nfs/dbraw/zinc/76/58/83/389765883.db2.gz IROIGIGUBANKHA-CHWSQXEVSA-N 2 2 271.405 0.600 20 0 CCADLP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000352177999 389765885 /nfs/dbraw/zinc/76/58/85/389765885.db2.gz IROIGIGUBANKHA-CHWSQXEVSA-N 2 2 271.405 0.600 20 0 CCADLP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000387600733 389766578 /nfs/dbraw/zinc/76/65/78/389766578.db2.gz VVHUXIQVPYXCRM-VXGBXAGGSA-N 2 2 271.405 0.457 20 0 CCADLP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000387600733 389766583 /nfs/dbraw/zinc/76/65/83/389766583.db2.gz VVHUXIQVPYXCRM-VXGBXAGGSA-N 2 2 271.405 0.457 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CCN(c3[nH+]ccn3C)CC2)CCO1 ZINC000429695989 389767063 /nfs/dbraw/zinc/76/70/63/389767063.db2.gz QLXUUIDEHNRYBX-CQSZACIVSA-N 2 2 293.415 0.263 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CCN(c3[nH+]ccn3C)CC2)CCO1 ZINC000429695989 389767065 /nfs/dbraw/zinc/76/70/65/389767065.db2.gz QLXUUIDEHNRYBX-CQSZACIVSA-N 2 2 293.415 0.263 20 0 CCADLP C[C@@H]1CN(CC[NH+]2CCN(c3[nH+]ccn3C)CC2)CCO1 ZINC000429695989 389767067 /nfs/dbraw/zinc/76/70/67/389767067.db2.gz QLXUUIDEHNRYBX-CQSZACIVSA-N 2 2 293.415 0.263 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](O)C(C)(C)C1 ZINC000388232951 389769566 /nfs/dbraw/zinc/76/95/66/389769566.db2.gz BTNWUBSNOKKHHZ-OLZOCXBDSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](O)C(C)(C)C1 ZINC000388232951 389769567 /nfs/dbraw/zinc/76/95/67/389769567.db2.gz BTNWUBSNOKKHHZ-OLZOCXBDSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000388232951 389769569 /nfs/dbraw/zinc/76/95/69/389769569.db2.gz BTNWUBSNOKKHHZ-OLZOCXBDSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000388232951 389769570 /nfs/dbraw/zinc/76/95/70/389769570.db2.gz BTNWUBSNOKKHHZ-OLZOCXBDSA-N 2 2 274.405 0.018 20 0 CCADLP CC[N@H+](C)CCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000429768669 389769822 /nfs/dbraw/zinc/76/98/22/389769822.db2.gz UGXSRCUXDBIWNX-NSHDSACASA-N 2 2 265.361 0.449 20 0 CCADLP CC[N@@H+](C)CCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000429768669 389769825 /nfs/dbraw/zinc/76/98/25/389769825.db2.gz UGXSRCUXDBIWNX-NSHDSACASA-N 2 2 265.361 0.449 20 0 CCADLP C[C@@H]1CCN(C(=O)NCCn2cc[nH+]c2)[C@H](C[NH3+])C1 ZINC000416841450 389775944 /nfs/dbraw/zinc/77/59/44/389775944.db2.gz HGHVBVNZDSFYFJ-NEPJUHHUSA-N 2 2 265.361 0.652 20 0 CCADLP [NH3+]C[C@H](NC(=O)NCc1cn2ccccc2[nH+]1)C1CC1 ZINC000416880272 389779029 /nfs/dbraw/zinc/77/90/29/389779029.db2.gz ZMYZLKVLGYLIAD-LBPRGKRZSA-N 2 2 273.340 0.871 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCC2(O)CCC2)n1C ZINC000397710957 389779632 /nfs/dbraw/zinc/77/96/32/389779632.db2.gz OYFQKKSAWQMCDM-UHFFFAOYSA-N 2 2 252.362 0.881 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000417000633 389788237 /nfs/dbraw/zinc/78/82/37/389788237.db2.gz DGOGATJOYPMTOB-AAEUAGOBSA-N 2 2 291.399 0.945 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000352356171 389796463 /nfs/dbraw/zinc/79/64/63/389796463.db2.gz GSWKWVVZYALMKP-DZGCQCFKSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000352356171 389796466 /nfs/dbraw/zinc/79/64/66/389796466.db2.gz GSWKWVVZYALMKP-DZGCQCFKSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H](CN1CCOCC1)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000352356171 389796469 /nfs/dbraw/zinc/79/64/69/389796469.db2.gz GSWKWVVZYALMKP-DZGCQCFKSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H](CN1CCOCC1)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000352356171 389796471 /nfs/dbraw/zinc/79/64/71/389796471.db2.gz GSWKWVVZYALMKP-DZGCQCFKSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H](CN1CCOCC1)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000352356171 389796473 /nfs/dbraw/zinc/79/64/73/389796473.db2.gz GSWKWVVZYALMKP-DZGCQCFKSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H](CN1CCOCC1)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000352356171 389796476 /nfs/dbraw/zinc/79/64/76/389796476.db2.gz GSWKWVVZYALMKP-DZGCQCFKSA-N 2 2 285.432 0.094 20 0 CCADLP Cc1[nH+]ccn1CCCN1CC[C@@H]([N@H+](C)CCO)[C@H]1C ZINC000429140529 389740407 /nfs/dbraw/zinc/74/04/07/389740407.db2.gz YEGFIGUWHJJBRJ-UKRRQHHQSA-N 2 2 280.416 0.969 20 0 CCADLP Cc1[nH+]ccn1CCCN1CC[C@@H]([N@@H+](C)CCO)[C@H]1C ZINC000429140529 389740409 /nfs/dbraw/zinc/74/04/09/389740409.db2.gz YEGFIGUWHJJBRJ-UKRRQHHQSA-N 2 2 280.416 0.969 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](N(C)CCO)[C@H]1C ZINC000429140529 389740411 /nfs/dbraw/zinc/74/04/11/389740411.db2.gz YEGFIGUWHJJBRJ-UKRRQHHQSA-N 2 2 280.416 0.969 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](N(C)CCO)[C@H]1C ZINC000429140529 389740412 /nfs/dbraw/zinc/74/04/12/389740412.db2.gz YEGFIGUWHJJBRJ-UKRRQHHQSA-N 2 2 280.416 0.969 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000416435362 389743178 /nfs/dbraw/zinc/74/31/78/389743178.db2.gz ZMNYYQUSRSJQPN-NWDGAFQWSA-N 2 2 267.377 0.944 20 0 CCADLP [NH3+]CC(F)(F)CNC(=O)NCCCn1cc[nH+]c1 ZINC000416442592 389744303 /nfs/dbraw/zinc/74/43/03/389744303.db2.gz YDQQHJSTUHKVOL-UHFFFAOYSA-N 2 2 261.276 0.166 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000430553761 389806659 /nfs/dbraw/zinc/80/66/59/389806659.db2.gz LVVHKWRCNJOZEP-WDEREUQCSA-N 2 2 275.356 0.582 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000430553761 389806662 /nfs/dbraw/zinc/80/66/62/389806662.db2.gz LVVHKWRCNJOZEP-WDEREUQCSA-N 2 2 275.356 0.582 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000430553759 389807024 /nfs/dbraw/zinc/80/70/24/389807024.db2.gz LVVHKWRCNJOZEP-MNOVXSKESA-N 2 2 275.356 0.582 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000430553759 389807026 /nfs/dbraw/zinc/80/70/26/389807026.db2.gz LVVHKWRCNJOZEP-MNOVXSKESA-N 2 2 275.356 0.582 20 0 CCADLP CC1CCN(C(=O)C[NH2+][C@](C)(C[NH3+])C2CC2)CC1 ZINC000430549705 389807136 /nfs/dbraw/zinc/80/71/36/389807136.db2.gz JCHRXFJJWBRCEQ-CQSZACIVSA-N 2 2 253.390 0.962 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430556263 389807467 /nfs/dbraw/zinc/80/74/67/389807467.db2.gz KQIGYLKEIIUKMJ-TUAOUCFPSA-N 2 2 277.372 0.863 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430556263 389807472 /nfs/dbraw/zinc/80/74/72/389807472.db2.gz KQIGYLKEIIUKMJ-TUAOUCFPSA-N 2 2 277.372 0.863 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430556260 389807877 /nfs/dbraw/zinc/80/78/77/389807877.db2.gz KQIGYLKEIIUKMJ-QJPTWQEYSA-N 2 2 277.372 0.863 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430556260 389807878 /nfs/dbraw/zinc/80/78/78/389807878.db2.gz KQIGYLKEIIUKMJ-QJPTWQEYSA-N 2 2 277.372 0.863 20 0 CCADLP C[C@@](C[NH3+])([NH2+]CC(=O)NCC(F)(F)F)C1CC1 ZINC000430580571 389809131 /nfs/dbraw/zinc/80/91/31/389809131.db2.gz SBIMJIAOIMXREE-VIFPVBQESA-N 2 2 253.268 0.382 20 0 CCADLP Cn1cc(N2CCC[C@@H]([N@H+](C)CC(C)(C)C[NH3+])C2=O)cn1 ZINC000430580208 389809269 /nfs/dbraw/zinc/80/92/69/389809269.db2.gz RMCPTQIDDMLSKV-CYBMUJFWSA-N 2 2 293.415 0.832 20 0 CCADLP Cn1cc(N2CCC[C@@H]([N@@H+](C)CC(C)(C)C[NH3+])C2=O)cn1 ZINC000430580208 389809271 /nfs/dbraw/zinc/80/92/71/389809271.db2.gz RMCPTQIDDMLSKV-CYBMUJFWSA-N 2 2 293.415 0.832 20 0 CCADLP Cc1cc(N2CC[C@@H]([N@H+](C)CC(C)(C)C[NH3+])C2=O)n(C)n1 ZINC000430575327 389809327 /nfs/dbraw/zinc/80/93/27/389809327.db2.gz QKDQQYCKNBIEII-GFCCVEGCSA-N 2 2 293.415 0.751 20 0 CCADLP Cc1cc(N2CC[C@@H]([N@@H+](C)CC(C)(C)C[NH3+])C2=O)n(C)n1 ZINC000430575327 389809329 /nfs/dbraw/zinc/80/93/29/389809329.db2.gz QKDQQYCKNBIEII-GFCCVEGCSA-N 2 2 293.415 0.751 20 0 CCADLP CCc1noc(C)c1C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430600711 389811236 /nfs/dbraw/zinc/81/12/36/389811236.db2.gz HVADSRTXAJTPLM-UHFFFAOYSA-N 2 2 280.372 0.409 20 0 CCADLP CCc1noc(C)c1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430600711 389811237 /nfs/dbraw/zinc/81/12/37/389811237.db2.gz HVADSRTXAJTPLM-UHFFFAOYSA-N 2 2 280.372 0.409 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000430609123 389812218 /nfs/dbraw/zinc/81/22/18/389812218.db2.gz GRAAYCWAHMYESD-CHWSQXEVSA-N 2 2 298.431 0.788 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000430609123 389812221 /nfs/dbraw/zinc/81/22/21/389812221.db2.gz GRAAYCWAHMYESD-CHWSQXEVSA-N 2 2 298.431 0.788 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430610463 389812760 /nfs/dbraw/zinc/81/27/60/389812760.db2.gz KQGRHHFSNWLVFR-NXEZZACHSA-N 2 2 268.361 0.034 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430610463 389812761 /nfs/dbraw/zinc/81/27/61/389812761.db2.gz KQGRHHFSNWLVFR-NXEZZACHSA-N 2 2 268.361 0.034 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC[NH2+]1 ZINC000417412733 389813865 /nfs/dbraw/zinc/81/38/65/389813865.db2.gz FTWWDNSRYTTZLA-STQMWFEESA-N 2 2 298.431 0.537 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC[NH2+]1 ZINC000417412733 389813868 /nfs/dbraw/zinc/81/38/68/389813868.db2.gz FTWWDNSRYTTZLA-STQMWFEESA-N 2 2 298.431 0.537 20 0 CCADLP COc1ccccc1[C@H]([NH3+])C(=O)NCCc1[nH]cc[nH+]1 ZINC000430730853 389821141 /nfs/dbraw/zinc/82/11/41/389821141.db2.gz TWDPMGDVMQPHSK-ZDUSSCGKSA-N 2 2 274.324 0.777 20 0 CCADLP O=C(COC1C[NH2+]C1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000430746465 389822467 /nfs/dbraw/zinc/82/24/67/389822467.db2.gz QQNXGAHEOSLXEN-UHFFFAOYSA-N 2 2 272.308 0.799 20 0 CCADLP CC(C)(C[NH3+])NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000417504174 389822571 /nfs/dbraw/zinc/82/25/71/389822571.db2.gz LRDVLRMGZWYJCC-UHFFFAOYSA-N 2 2 272.393 0.134 20 0 CCADLP CC(C)(C[NH3+])NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000417504174 389822573 /nfs/dbraw/zinc/82/25/73/389822573.db2.gz LRDVLRMGZWYJCC-UHFFFAOYSA-N 2 2 272.393 0.134 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000417517847 389825200 /nfs/dbraw/zinc/82/52/00/389825200.db2.gz RGMWSAORNWCFLW-UPJWGTAASA-N 2 2 284.404 0.004 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000417517847 389825204 /nfs/dbraw/zinc/82/52/04/389825204.db2.gz RGMWSAORNWCFLW-UPJWGTAASA-N 2 2 284.404 0.004 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000417517846 389825385 /nfs/dbraw/zinc/82/53/85/389825385.db2.gz RGMWSAORNWCFLW-JHJVBQTASA-N 2 2 284.404 0.004 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000417517846 389825388 /nfs/dbraw/zinc/82/53/88/389825388.db2.gz RGMWSAORNWCFLW-JHJVBQTASA-N 2 2 284.404 0.004 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000417528872 389827085 /nfs/dbraw/zinc/82/70/85/389827085.db2.gz QFBGRXXUWYECJT-ZIAGYGMSSA-N 2 2 298.431 0.478 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000417528872 389827088 /nfs/dbraw/zinc/82/70/88/389827088.db2.gz QFBGRXXUWYECJT-ZIAGYGMSSA-N 2 2 298.431 0.478 20 0 CCADLP CCC([NH3+])(CC)CNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000417525137 389827107 /nfs/dbraw/zinc/82/71/07/389827107.db2.gz LBEVJHXBKYGMEY-LBPRGKRZSA-N 2 2 286.420 0.524 20 0 CCADLP CCC([NH3+])(CC)CNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000417525137 389827111 /nfs/dbraw/zinc/82/71/11/389827111.db2.gz LBEVJHXBKYGMEY-LBPRGKRZSA-N 2 2 286.420 0.524 20 0 CCADLP CCC[C@H]1C[NH2+]CCN1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000417551901 389828641 /nfs/dbraw/zinc/82/86/41/389828641.db2.gz PGIXQHKPSAFTAP-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP CCC[C@H]1C[NH2+]CCN1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000417551901 389828643 /nfs/dbraw/zinc/82/86/43/389828643.db2.gz PGIXQHKPSAFTAP-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000430881997 389831716 /nfs/dbraw/zinc/83/17/16/389831716.db2.gz GPDSZSVUFROUDT-DZGCQCFKSA-N 2 2 291.395 0.566 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000430881997 389831719 /nfs/dbraw/zinc/83/17/19/389831719.db2.gz GPDSZSVUFROUDT-DZGCQCFKSA-N 2 2 291.395 0.566 20 0 CCADLP O=C(C[C@@H]1C[NH2+]CCO1)NCc1cn2c([nH+]1)CCCC2 ZINC000430900966 389833386 /nfs/dbraw/zinc/83/33/86/389833386.db2.gz QIEYQALUAORZFK-GFCCVEGCSA-N 2 2 278.356 0.214 20 0 CCADLP C[NH2+]CC1CC[NH+](Cc2cc(=O)n3[nH]ccc3n2)CC1 ZINC000430937745 389837601 /nfs/dbraw/zinc/83/76/01/389837601.db2.gz DYTMVDQPKWCFDC-UHFFFAOYSA-N 2 2 275.356 0.454 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@]1(O)CCSC1 ZINC000352812127 389838246 /nfs/dbraw/zinc/83/82/46/389838246.db2.gz ZFVSXUOWLNSMPH-RTXFEEFZSA-N 2 2 256.415 0.927 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@]1(O)CCSC1 ZINC000352812127 389838249 /nfs/dbraw/zinc/83/82/49/389838249.db2.gz ZFVSXUOWLNSMPH-RTXFEEFZSA-N 2 2 256.415 0.927 20 0 CCADLP CS(=O)(=O)c1ccc(OCC[N@@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000430946114 389838319 /nfs/dbraw/zinc/83/83/19/389838319.db2.gz ZHVHBTXNCYTDNX-LBPRGKRZSA-N 2 2 298.408 0.750 20 0 CCADLP CS(=O)(=O)c1ccc(OCC[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000430946114 389838321 /nfs/dbraw/zinc/83/83/21/389838321.db2.gz ZHVHBTXNCYTDNX-LBPRGKRZSA-N 2 2 298.408 0.750 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@]2(C)CC[NH2+]C2)C[C@@H]1[NH+]1CCOCC1 ZINC000431017977 389845183 /nfs/dbraw/zinc/84/51/83/389845183.db2.gz TXRXDRRXNOHZPW-IPYPFGDCSA-N 2 2 281.400 0.165 20 0 CCADLP C[C@H]1C[C@H](NC(=O)[C@H]2CSC[NH2+]2)C[N@@H+]1C1CC1 ZINC000431022586 389845803 /nfs/dbraw/zinc/84/58/03/389845803.db2.gz DHPXBLOIYBFSIC-ATZCPNFKSA-N 2 2 255.387 0.390 20 0 CCADLP C[C@H]1C[C@H](NC(=O)[C@H]2CSC[NH2+]2)C[N@H+]1C1CC1 ZINC000431022586 389845805 /nfs/dbraw/zinc/84/58/05/389845805.db2.gz DHPXBLOIYBFSIC-ATZCPNFKSA-N 2 2 255.387 0.390 20 0 CCADLP [NH3+][C@@H](CNC(=O)[C@H]([NH3+])c1c(F)cccc1F)C1CC1 ZINC000417799543 389850257 /nfs/dbraw/zinc/85/02/57/389850257.db2.gz BEEIFUDHQMDWPA-CMPLNLGQSA-N 2 2 269.295 0.818 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000353437359 389851149 /nfs/dbraw/zinc/85/11/49/389851149.db2.gz BZABALNGQZCYBK-VHDGCEQUSA-N 2 2 295.427 0.459 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000353437359 389851151 /nfs/dbraw/zinc/85/11/51/389851151.db2.gz BZABALNGQZCYBK-VHDGCEQUSA-N 2 2 295.427 0.459 20 0 CCADLP Cc1nc(N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)nc(N(C)C)[nH+]1 ZINC000419002027 389886079 /nfs/dbraw/zinc/88/60/79/389886079.db2.gz LXNUOLZOFAVAFZ-WDEREUQCSA-N 2 2 294.403 0.137 20 0 CCADLP Cc1nc(N2C[C@H](C)[N@H+](CCO)C[C@H]2C)nc(N(C)C)[nH+]1 ZINC000419002027 389886082 /nfs/dbraw/zinc/88/60/82/389886082.db2.gz LXNUOLZOFAVAFZ-WDEREUQCSA-N 2 2 294.403 0.137 20 0 CCADLP C[C@@H]1CN(C(=O)c2coc(C[NH3+])c2)C[C@H]1[NH+]1CCOCC1 ZINC000444270662 389898530 /nfs/dbraw/zinc/89/85/30/389898530.db2.gz VSNNCFIFHXHJGL-BXUZGUMPSA-N 2 2 293.367 0.531 20 0 CCADLP Cc1ncc(C[NH+]2CCN(C(=O)[C@H]3CC[NH2+]3)CC2)s1 ZINC000444269123 389898577 /nfs/dbraw/zinc/89/85/77/389898577.db2.gz WQIFBRHQBWWODB-GFCCVEGCSA-N 2 2 280.397 0.458 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CC2(N3CCOCC3)CC2)n1C ZINC000419696501 389906540 /nfs/dbraw/zinc/90/65/40/389906540.db2.gz ONRWWOLMCSQRSI-UHFFFAOYSA-N 2 2 293.415 0.441 20 0 CCADLP Cn1cc([C@@H](CO)[NH2+]CCC[NH+]2CCCCC2)cn1 ZINC000444640302 389911558 /nfs/dbraw/zinc/91/15/58/389911558.db2.gz RFSMOYNMNWDDST-CQSZACIVSA-N 2 2 266.389 0.919 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000447438952 389955255 /nfs/dbraw/zinc/95/52/55/389955255.db2.gz IDWCPYFULWWNKL-LLVKDONJSA-N 2 2 266.345 0.199 20 0 CCADLP CC[C@@H](C(=O)N(C)[C@H](C)C[NH+]1CCOCC1)[NH+](C)C ZINC000447659993 389961593 /nfs/dbraw/zinc/96/15/93/389961593.db2.gz PYSGMNCAHKWOGP-OLZOCXBDSA-N 2 2 271.405 0.506 20 0 CCADLP C[C@@H](O)CNc1cc(NCC[C@H]2CCC[NH2+]C2)[nH+]cn1 ZINC000420190721 389964195 /nfs/dbraw/zinc/96/41/95/389964195.db2.gz HFMILFIIEUBUTC-VXGBXAGGSA-N 2 2 279.388 0.493 20 0 CCADLP C[C@@H](O)CNc1cc(NCC[C@H]2CCC[NH2+]C2)nc[nH+]1 ZINC000420190721 389964198 /nfs/dbraw/zinc/96/41/98/389964198.db2.gz HFMILFIIEUBUTC-VXGBXAGGSA-N 2 2 279.388 0.493 20 0 CCADLP C[C@@H](O)CNc1cc(N[C@@H](C)CCC[NH3+])nc[nH+]1 ZINC000420263292 389975467 /nfs/dbraw/zinc/97/54/67/389975467.db2.gz NRFFKVOSCWERRD-VHSXEESVSA-N 2 2 253.350 0.809 20 0 CCADLP C[C@@H](O)CNc1cc(N[C@@H](C)CCC[NH3+])[nH+]cn1 ZINC000420263292 389975469 /nfs/dbraw/zinc/97/54/69/389975469.db2.gz NRFFKVOSCWERRD-VHSXEESVSA-N 2 2 253.350 0.809 20 0 CCADLP C[C@@H]1CN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC[NH2+]1 ZINC000420246498 389972241 /nfs/dbraw/zinc/97/22/41/389972241.db2.gz SZFGCJLAJXYJDN-OLZOCXBDSA-N 2 2 291.399 0.626 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H](C)[C@H](C)O1 ZINC000446077189 389930900 /nfs/dbraw/zinc/93/09/00/389930900.db2.gz JBIJKYVGXXXJPT-AGIUHOORSA-N 2 2 269.389 0.258 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H](C)[C@H](C)O1 ZINC000446077189 389930902 /nfs/dbraw/zinc/93/09/02/389930902.db2.gz JBIJKYVGXXXJPT-AGIUHOORSA-N 2 2 269.389 0.258 20 0 CCADLP C[NH+]1CCC(C(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000434390592 389932410 /nfs/dbraw/zinc/93/24/10/389932410.db2.gz YDVXHOZLXIGHGZ-UHFFFAOYSA-N 2 2 281.400 0.309 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(N2CCOCC2)CC1 ZINC000434786009 389946058 /nfs/dbraw/zinc/94/60/58/389946058.db2.gz NIQCFMYZQKQURQ-OLZOCXBDSA-N 2 2 253.390 0.391 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(N2CCOCC2)CC1 ZINC000434786009 389946060 /nfs/dbraw/zinc/94/60/60/389946060.db2.gz NIQCFMYZQKQURQ-OLZOCXBDSA-N 2 2 253.390 0.391 20 0 CCADLP CC(C)(C[NH+]1CCCC1)NC(=O)NCC[NH+]1CCOCC1 ZINC000457398488 390042286 /nfs/dbraw/zinc/04/22/86/390042286.db2.gz IGFBHYVXJQTPEW-UHFFFAOYSA-N 2 2 298.431 0.492 20 0 CCADLP C[C@H](O)CNc1cc(NC[C@@H]2CCC[C@@H]([NH3+])C2)[nH+]cn1 ZINC000420279098 389976926 /nfs/dbraw/zinc/97/69/26/389976926.db2.gz JQFBDRBEIAZRPP-QJPTWQEYSA-N 2 2 279.388 0.621 20 0 CCADLP C[C@H](O)CNc1cc(NC[C@@H]2CCC[C@@H]([NH3+])C2)nc[nH+]1 ZINC000420279098 389976929 /nfs/dbraw/zinc/97/69/29/389976929.db2.gz JQFBDRBEIAZRPP-QJPTWQEYSA-N 2 2 279.388 0.621 20 0 CCADLP CN(C)c1[nH+]cc(CNC[C@@H](O)C[NH+]2CCCC2)n1C ZINC000436481344 389978008 /nfs/dbraw/zinc/97/80/08/389978008.db2.gz YGRDRKOBNXWUDD-CYBMUJFWSA-N 2 2 281.404 0.032 20 0 CCADLP COC(=O)c1cccc(OCC[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC000420294470 389979524 /nfs/dbraw/zinc/97/95/24/389979524.db2.gz OMUAHBOWIDPIHX-LBPRGKRZSA-N 2 2 264.325 0.885 20 0 CCADLP COC(=O)c1cccc(OCC[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC000420294470 389979525 /nfs/dbraw/zinc/97/95/25/389979525.db2.gz OMUAHBOWIDPIHX-LBPRGKRZSA-N 2 2 264.325 0.885 20 0 CCADLP CCOC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328909 389984068 /nfs/dbraw/zinc/98/40/68/389984068.db2.gz NLHPHLRTZNTHME-RYUDHWBXSA-N 2 2 270.373 0.625 20 0 CCADLP CCOC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328909 389984070 /nfs/dbraw/zinc/98/40/70/389984070.db2.gz NLHPHLRTZNTHME-RYUDHWBXSA-N 2 2 270.373 0.625 20 0 CCADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000420350602 389988243 /nfs/dbraw/zinc/98/82/43/389988243.db2.gz HJDANMIBQIJYIE-JSGCOSHPSA-N 2 2 279.384 0.882 20 0 CCADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000420350602 389988245 /nfs/dbraw/zinc/98/82/45/389988245.db2.gz HJDANMIBQIJYIE-JSGCOSHPSA-N 2 2 279.384 0.882 20 0 CCADLP C[N@@H+](CC(=O)NCc1cccc(Cl)c1)C[C@H](O)C[NH3+] ZINC000420352878 389989612 /nfs/dbraw/zinc/98/96/12/389989612.db2.gz MYBRQJYHIYUHMI-GFCCVEGCSA-N 2 2 285.775 0.208 20 0 CCADLP C[N@H+](CC(=O)NCc1cccc(Cl)c1)C[C@H](O)C[NH3+] ZINC000420352878 389989615 /nfs/dbraw/zinc/98/96/15/389989615.db2.gz MYBRQJYHIYUHMI-GFCCVEGCSA-N 2 2 285.775 0.208 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCCC[NH+]1CCOCC1 ZINC000420355655 389990294 /nfs/dbraw/zinc/99/02/94/389990294.db2.gz CDNWYBRXATWPRJ-MGPQQGTHSA-N 2 2 255.406 0.685 20 0 CCADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)NC(=O)NCC(F)(F)F ZINC000420354939 389990333 /nfs/dbraw/zinc/99/03/33/389990333.db2.gz DPKRSASUQHOOIW-ZETCQYMHSA-N 2 2 298.309 0.338 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420363566 389992734 /nfs/dbraw/zinc/99/27/34/389992734.db2.gz OABWKRQUGBTLAB-IUCAKERBSA-N 2 2 258.366 0.184 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000449442139 389993215 /nfs/dbraw/zinc/99/32/15/389993215.db2.gz JWIDNYKYBJLRSY-DMDPSCGWSA-N 2 2 289.445 0.387 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000449442139 389993219 /nfs/dbraw/zinc/99/32/19/389993219.db2.gz JWIDNYKYBJLRSY-DMDPSCGWSA-N 2 2 289.445 0.387 20 0 CCADLP CCCCNC(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420369471 389993266 /nfs/dbraw/zinc/99/32/66/389993266.db2.gz LAHADIYTIKLAPK-AWEZNQCLSA-N 2 2 253.390 0.978 20 0 CCADLP CCCCNC(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420369471 389993267 /nfs/dbraw/zinc/99/32/67/389993267.db2.gz LAHADIYTIKLAPK-AWEZNQCLSA-N 2 2 253.390 0.978 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420367619 389993386 /nfs/dbraw/zinc/99/33/86/389993386.db2.gz MXFDZQWDCSYWCL-XDQVBPFNSA-N 2 2 285.432 0.894 20 0 CCADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)Nc1ccncc1 ZINC000420370487 389994039 /nfs/dbraw/zinc/99/40/39/389994039.db2.gz VZNSTURJKMFVJT-NSHDSACASA-N 2 2 250.346 0.405 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000451222284 390000928 /nfs/dbraw/zinc/00/09/28/390000928.db2.gz LPMOOTHJSUCGHH-BYNSBNAKSA-N 2 2 267.417 0.779 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000451222284 390000931 /nfs/dbraw/zinc/00/09/31/390000931.db2.gz LPMOOTHJSUCGHH-BYNSBNAKSA-N 2 2 267.417 0.779 20 0 CCADLP C[C@@H](C[NH2+]CC[C@H]1CCOC1)C[NH+]1CCOCC1 ZINC000438192913 390002761 /nfs/dbraw/zinc/00/27/61/390002761.db2.gz UPJJGHGDHPPTSQ-KBPBESRZSA-N 2 2 256.390 0.971 20 0 CCADLP CC[C@@H](Cn1cncn1)[NH2+]C[C@H]1CCC[N@@H+]1CCOC ZINC000438834383 390010704 /nfs/dbraw/zinc/01/07/04/390010704.db2.gz SEEPVPNASWDGDP-UONOGXRCSA-N 2 2 281.404 0.757 20 0 CCADLP CC[C@@H](Cn1cncn1)[NH2+]C[C@H]1CCC[N@H+]1CCOC ZINC000438834383 390010705 /nfs/dbraw/zinc/01/07/05/390010705.db2.gz SEEPVPNASWDGDP-UONOGXRCSA-N 2 2 281.404 0.757 20 0 CCADLP C[C@@H](C(=O)NCCCC[N@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000457205528 390034298 /nfs/dbraw/zinc/03/42/98/390034298.db2.gz RPSBKYSDOCPPFN-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@@H](C(=O)NCCCC[N@@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000457205528 390034299 /nfs/dbraw/zinc/03/42/99/390034299.db2.gz RPSBKYSDOCPPFN-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000492620865 390118235 /nfs/dbraw/zinc/11/82/35/390118235.db2.gz GQIRPYBKWKNIQH-WSNITJDQSA-N 2 2 278.356 0.099 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC000468107531 390077014 /nfs/dbraw/zinc/07/70/14/390077014.db2.gz GHKJRMMABGCXLU-ZNMIVQPWSA-N 2 2 296.459 0.469 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC000468107531 390077015 /nfs/dbraw/zinc/07/70/15/390077015.db2.gz GHKJRMMABGCXLU-ZNMIVQPWSA-N 2 2 296.459 0.469 20 0 CCADLP Cc1nc(NC[C@@H](C)C[NH+]2CCCC2)nc(N(C)C)[nH+]1 ZINC000488386095 390093608 /nfs/dbraw/zinc/09/36/08/390093608.db2.gz FGXSBKWNTYBNBO-LLVKDONJSA-N 2 2 278.404 0.812 20 0 CCADLP Cc1nc(N(C)C)nc(NC[C@@H](C)C[NH+]2CCCC2)[nH+]1 ZINC000488386095 390093609 /nfs/dbraw/zinc/09/36/09/390093609.db2.gz FGXSBKWNTYBNBO-LLVKDONJSA-N 2 2 278.404 0.812 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000488547403 390094496 /nfs/dbraw/zinc/09/44/96/390094496.db2.gz JDBWQMCEEOVNKM-RYUDHWBXSA-N 2 2 279.388 0.837 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000493150705 390119595 /nfs/dbraw/zinc/11/95/95/390119595.db2.gz IONQTOBVDOCKHH-DSYXLKISSA-N 2 2 292.383 0.441 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000493150705 390119596 /nfs/dbraw/zinc/11/95/96/390119596.db2.gz IONQTOBVDOCKHH-DSYXLKISSA-N 2 2 292.383 0.441 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000457724213 390048790 /nfs/dbraw/zinc/04/87/90/390048790.db2.gz PMRQZMQJGXPCBS-CYBMUJFWSA-N 2 2 269.389 0.304 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000457724213 390048791 /nfs/dbraw/zinc/04/87/91/390048791.db2.gz PMRQZMQJGXPCBS-CYBMUJFWSA-N 2 2 269.389 0.304 20 0 CCADLP O=c1cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)nc2cc[nH]n21 ZINC000647815190 390179322 /nfs/dbraw/zinc/17/93/22/390179322.db2.gz TUOWTYHMYDUDSF-UHFFFAOYSA-N 2 2 287.367 0.739 20 0 CCADLP O=c1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)nc2cc[nH]n21 ZINC000647815190 390179323 /nfs/dbraw/zinc/17/93/23/390179323.db2.gz TUOWTYHMYDUDSF-UHFFFAOYSA-N 2 2 287.367 0.739 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000579491505 390180596 /nfs/dbraw/zinc/18/05/96/390180596.db2.gz DIULUPJZCUXEBD-SNVBAGLBSA-N 2 2 250.346 0.797 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000579491505 390180600 /nfs/dbraw/zinc/18/06/00/390180600.db2.gz DIULUPJZCUXEBD-SNVBAGLBSA-N 2 2 250.346 0.797 20 0 CCADLP C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)CCn1cc[nH+]c1 ZINC000647823073 390181919 /nfs/dbraw/zinc/18/19/19/390181919.db2.gz CJEYQTKOAGFKLV-KBPBESRZSA-N 2 2 292.383 0.595 20 0 CCADLP C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)CCn1cc[nH+]c1 ZINC000647823073 390181920 /nfs/dbraw/zinc/18/19/20/390181920.db2.gz CJEYQTKOAGFKLV-KBPBESRZSA-N 2 2 292.383 0.595 20 0 CCADLP C[NH+](C)CCn1ccc(=NC(=O)C=Cc2c[nH]c[nH+]2)[nH]1 ZINC000493229676 390121235 /nfs/dbraw/zinc/12/12/35/390121235.db2.gz JUXBDVUQHUSZLU-ARJAWSKDSA-N 2 2 274.328 0.242 20 0 CCADLP CC(C)OC[C@@H](O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000538096281 390187683 /nfs/dbraw/zinc/18/76/83/390187683.db2.gz IJZXQZKOTNUVHN-STQMWFEESA-N 2 2 267.373 0.995 20 0 CCADLP CC(C)OC[C@@H](O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000538096281 390187686 /nfs/dbraw/zinc/18/76/86/390187686.db2.gz IJZXQZKOTNUVHN-STQMWFEESA-N 2 2 267.373 0.995 20 0 CCADLP CC[NH+]1CCN([C@@H](C)CNC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493486223 390126703 /nfs/dbraw/zinc/12/67/03/390126703.db2.gz MRYOIAJPRQEEGL-IHVVCDCBSA-N 2 2 291.399 0.565 20 0 CCADLP COc1cc([C@@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)c(F)cn1 ZINC000578978955 390130671 /nfs/dbraw/zinc/13/06/71/390130671.db2.gz PRQHMJBHSFNRQF-SNVBAGLBSA-N 2 2 296.346 0.312 20 0 CCADLP CC1(C)C[NH2+][C@@H]1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000644150311 390148505 /nfs/dbraw/zinc/14/85/05/390148505.db2.gz HMZMHSHDPHNGCI-WCQYABFASA-N 2 2 274.368 0.775 20 0 CCADLP O=C1OCC[C@@H]2C[N@H+](CCn3cc[nH+]c3)CCN12 ZINC000494142480 390154198 /nfs/dbraw/zinc/15/41/98/390154198.db2.gz QADBRDRGCHZNFK-LLVKDONJSA-N 2 2 250.302 0.410 20 0 CCADLP O=C1OCC[C@@H]2C[N@@H+](CCn3cc[nH+]c3)CCN12 ZINC000494142480 390154201 /nfs/dbraw/zinc/15/42/01/390154201.db2.gz QADBRDRGCHZNFK-LLVKDONJSA-N 2 2 250.302 0.410 20 0 CCADLP Cc1cc(CO)cc(N(C)C[C@@H](O)C[NH+]2CCOCC2)[nH+]1 ZINC000647872066 390201674 /nfs/dbraw/zinc/20/16/74/390201674.db2.gz WYIHKJIVXDONPA-CQSZACIVSA-N 2 2 295.383 0.012 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@H+](CCCO)C2CC2)n1 ZINC000647885026 390207029 /nfs/dbraw/zinc/20/70/29/390207029.db2.gz ZTCHUGXJFDPJGB-UHFFFAOYSA-N 2 2 254.334 0.610 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@@H+](CCCO)C2CC2)n1 ZINC000647885026 390207031 /nfs/dbraw/zinc/20/70/31/390207031.db2.gz ZTCHUGXJFDPJGB-UHFFFAOYSA-N 2 2 254.334 0.610 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ncnn3CCF)C[C@H]21 ZINC000647907635 390213654 /nfs/dbraw/zinc/21/36/54/390213654.db2.gz OKWATUFJCUMRIR-IJLUTSLNSA-N 2 2 267.352 0.807 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ncnn3CCF)C[C@H]21 ZINC000647907635 390213657 /nfs/dbraw/zinc/21/36/57/390213657.db2.gz OKWATUFJCUMRIR-IJLUTSLNSA-N 2 2 267.352 0.807 20 0 CCADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ncccn2)CC[C@H]1[NH3+] ZINC000647940081 390222726 /nfs/dbraw/zinc/22/27/26/390222726.db2.gz LQSWRDORKQVYCP-QJPTWQEYSA-N 2 2 277.372 0.863 20 0 CCADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ncccn2)CC[C@H]1[NH3+] ZINC000647940081 390222729 /nfs/dbraw/zinc/22/27/29/390222729.db2.gz LQSWRDORKQVYCP-QJPTWQEYSA-N 2 2 277.372 0.863 20 0 CCADLP C[C@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+](C)CCC[NH3+] ZINC000647848404 390191940 /nfs/dbraw/zinc/19/19/40/390191940.db2.gz QJCSKAHLAZHTBA-KBPBESRZSA-N 2 2 285.432 0.979 20 0 CCADLP C[C@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+](C)CCC[NH3+] ZINC000647848404 390191945 /nfs/dbraw/zinc/19/19/45/390191945.db2.gz QJCSKAHLAZHTBA-KBPBESRZSA-N 2 2 285.432 0.979 20 0 CCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000579660025 390194954 /nfs/dbraw/zinc/19/49/54/390194954.db2.gz JIVIDNMQOYONHE-GFCCVEGCSA-N 2 2 250.346 0.683 20 0 CCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000579660025 390194957 /nfs/dbraw/zinc/19/49/57/390194957.db2.gz JIVIDNMQOYONHE-GFCCVEGCSA-N 2 2 250.346 0.683 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)Nc1ccon1 ZINC000647858623 390195264 /nfs/dbraw/zinc/19/52/64/390195264.db2.gz MIFARZXQJLMLCD-JTQLQIEISA-N 2 2 254.334 0.340 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)Nc1ccon1 ZINC000647858623 390195266 /nfs/dbraw/zinc/19/52/66/390195266.db2.gz MIFARZXQJLMLCD-JTQLQIEISA-N 2 2 254.334 0.340 20 0 CCADLP CC(C)C(=O)NCC[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000647969910 390235542 /nfs/dbraw/zinc/23/55/42/390235542.db2.gz XQIHYVYKYCAECA-ZDUSSCGKSA-N 2 2 273.421 0.392 20 0 CCADLP CC(C)C(=O)NCC[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000647969910 390235545 /nfs/dbraw/zinc/23/55/45/390235545.db2.gz XQIHYVYKYCAECA-ZDUSSCGKSA-N 2 2 273.421 0.392 20 0 CCADLP CC(C)C(=O)NCC[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000647969910 390235548 /nfs/dbraw/zinc/23/55/48/390235548.db2.gz XQIHYVYKYCAECA-ZDUSSCGKSA-N 2 2 273.421 0.392 20 0 CCADLP CC(C)C(=O)NCC[N@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000647969910 390235551 /nfs/dbraw/zinc/23/55/51/390235551.db2.gz XQIHYVYKYCAECA-ZDUSSCGKSA-N 2 2 273.421 0.392 20 0 CCADLP COc1cccc(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)n1 ZINC000644532898 390247271 /nfs/dbraw/zinc/24/72/71/390247271.db2.gz CPOIUDBCKFRATG-CYBMUJFWSA-N 2 2 265.357 0.635 20 0 CCADLP COc1cccc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)n1 ZINC000644532898 390247273 /nfs/dbraw/zinc/24/72/73/390247273.db2.gz CPOIUDBCKFRATG-CYBMUJFWSA-N 2 2 265.357 0.635 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCc2cscn2)C[C@H](C)O1 ZINC000580769303 390247741 /nfs/dbraw/zinc/24/77/41/390247741.db2.gz KUEJEZUDNOUHDE-SCRDCRAPSA-N 2 2 299.440 0.745 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCc2cscn2)C[C@H](C)O1 ZINC000580769303 390247745 /nfs/dbraw/zinc/24/77/45/390247745.db2.gz KUEJEZUDNOUHDE-SCRDCRAPSA-N 2 2 299.440 0.745 20 0 CCADLP CCOC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1CCOC ZINC000644546549 390250492 /nfs/dbraw/zinc/25/04/92/390250492.db2.gz MXPZLJNQEKKCNQ-OLZOCXBDSA-N 2 2 260.378 0.084 20 0 CCADLP CCOC[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+]1CCOC ZINC000644546549 390250495 /nfs/dbraw/zinc/25/04/95/390250495.db2.gz MXPZLJNQEKKCNQ-OLZOCXBDSA-N 2 2 260.378 0.084 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1)Cn1cccn1 ZINC000644556878 390252428 /nfs/dbraw/zinc/25/24/28/390252428.db2.gz ULTUSOFXNIQLPX-KGLIPLIRSA-N 2 2 264.373 0.318 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)Cn1cccn1 ZINC000644556878 390252430 /nfs/dbraw/zinc/25/24/30/390252430.db2.gz ULTUSOFXNIQLPX-KGLIPLIRSA-N 2 2 264.373 0.318 20 0 CCADLP Cc1cnc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)s1 ZINC000644577141 390257407 /nfs/dbraw/zinc/25/74/07/390257407.db2.gz CDIBLAVOJJCFBH-LBPRGKRZSA-N 2 2 284.429 0.149 20 0 CCADLP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCCC2(F)F)CC1 ZINC000644648062 390276179 /nfs/dbraw/zinc/27/61/79/390276179.db2.gz YQGICINBIUURTR-NEPJUHHUSA-N 2 2 277.359 0.372 20 0 CCADLP COCC[N@@H+]1CC[C@H](NCC[NH+]2CC[C@@H](C)C2)C1 ZINC000543404373 390281955 /nfs/dbraw/zinc/28/19/55/390281955.db2.gz ZZMXCCFQBMXKNP-KGLIPLIRSA-N 2 2 255.406 0.639 20 0 CCADLP COCC[N@H+]1CC[C@H](NCC[NH+]2CC[C@@H](C)C2)C1 ZINC000543404373 390281957 /nfs/dbraw/zinc/28/19/57/390281957.db2.gz ZZMXCCFQBMXKNP-KGLIPLIRSA-N 2 2 255.406 0.639 20 0 CCADLP COCC[NH+]1CC[C@H](NCC[N@@H+]2CC[C@@H](C)C2)C1 ZINC000543404373 390281960 /nfs/dbraw/zinc/28/19/60/390281960.db2.gz ZZMXCCFQBMXKNP-KGLIPLIRSA-N 2 2 255.406 0.639 20 0 CCADLP COCC[NH+]1CC[C@H](NCC[N@H+]2CC[C@@H](C)C2)C1 ZINC000543404373 390281963 /nfs/dbraw/zinc/28/19/63/390281963.db2.gz ZZMXCCFQBMXKNP-KGLIPLIRSA-N 2 2 255.406 0.639 20 0 CCADLP COCCN1CC[C@H]([NH2+]CC[N@@H+]2CC[C@@H](C)C2)C1 ZINC000543404373 390281964 /nfs/dbraw/zinc/28/19/64/390281964.db2.gz ZZMXCCFQBMXKNP-KGLIPLIRSA-N 2 2 255.406 0.639 20 0 CCADLP COCCN1CC[C@H]([NH2+]CC[N@H+]2CC[C@@H](C)C2)C1 ZINC000543404373 390281967 /nfs/dbraw/zinc/28/19/67/390281967.db2.gz ZZMXCCFQBMXKNP-KGLIPLIRSA-N 2 2 255.406 0.639 20 0 CCADLP CC1=CC[N@H+](CCNC(=O)NCc2[nH+]ccn2C)CC1 ZINC000547273511 390365872 /nfs/dbraw/zinc/36/58/72/390365872.db2.gz BZQXBPZIWKROCG-UHFFFAOYSA-N 2 2 277.372 0.871 20 0 CCADLP CC1=CC[N@@H+](CCNC(=O)NCc2[nH+]ccn2C)CC1 ZINC000547273511 390365876 /nfs/dbraw/zinc/36/58/76/390365876.db2.gz BZQXBPZIWKROCG-UHFFFAOYSA-N 2 2 277.372 0.871 20 0 CCADLP COC(=O)N1CC([NH2+]Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000496808085 390366869 /nfs/dbraw/zinc/36/68/69/390366869.db2.gz AWTPVNOYXAAVMG-UHFFFAOYSA-N 2 2 267.333 0.026 20 0 CCADLP COC(=O)[C@@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)CC(C)C ZINC000593909250 390366843 /nfs/dbraw/zinc/36/68/43/390366843.db2.gz IXDXULDINOJSKY-VXGBXAGGSA-N 2 2 287.404 0.217 20 0 CCADLP NC(=O)c1c[nH+]ccc1NCCNc1cccc[nH+]1 ZINC000545158812 390315733 /nfs/dbraw/zinc/31/57/33/390315733.db2.gz ZOCKCGYIOAXTCB-UHFFFAOYSA-N 2 2 257.297 0.521 20 0 CCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)CCC[NH3+] ZINC000583870307 390319248 /nfs/dbraw/zinc/31/92/48/390319248.db2.gz KEOHNWRKTCABHP-UHFFFAOYSA-N 2 2 278.356 0.904 20 0 CCADLP C[N@@H+]1CCC[C@H](C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000583928620 390323602 /nfs/dbraw/zinc/32/36/02/390323602.db2.gz LSFBEVZPGUEUKB-VHDGCEQUSA-N 3 2 267.417 0.685 20 0 CCADLP C[N@H+]1CCC[C@H](C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000583928620 390323605 /nfs/dbraw/zinc/32/36/05/390323605.db2.gz LSFBEVZPGUEUKB-VHDGCEQUSA-N 3 2 267.417 0.685 20 0 CCADLP C[N@@H+]1CCC[C@H](CN[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000583928620 390323611 /nfs/dbraw/zinc/32/36/11/390323611.db2.gz LSFBEVZPGUEUKB-VHDGCEQUSA-N 2 2 267.417 0.685 20 0 CCADLP C[N@H+]1CCC[C@H](CN[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000583928620 390323615 /nfs/dbraw/zinc/32/36/15/390323615.db2.gz LSFBEVZPGUEUKB-VHDGCEQUSA-N 2 2 267.417 0.685 20 0 CCADLP COC(=O)C1CCN(C(=O)C[NH2+][C@](C)(C[NH3+])C(C)C)CC1 ZINC000583934986 390325836 /nfs/dbraw/zinc/32/58/36/390325836.db2.gz HBPQKJBOGDCUMO-OAHLLOKOSA-N 2 2 299.415 0.361 20 0 CCADLP CCOC[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000584002265 390332907 /nfs/dbraw/zinc/33/29/07/390332907.db2.gz RIPBWQJNUTXRQT-UONOGXRCSA-N 2 2 274.405 0.284 20 0 CCADLP CCOC[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000584002265 390332911 /nfs/dbraw/zinc/33/29/11/390332911.db2.gz RIPBWQJNUTXRQT-UONOGXRCSA-N 2 2 274.405 0.284 20 0 CCADLP CCOC[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000584002265 390332914 /nfs/dbraw/zinc/33/29/14/390332914.db2.gz RIPBWQJNUTXRQT-UONOGXRCSA-N 2 2 274.405 0.284 20 0 CCADLP CCOC[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000584002265 390332919 /nfs/dbraw/zinc/33/29/19/390332919.db2.gz RIPBWQJNUTXRQT-UONOGXRCSA-N 2 2 274.405 0.284 20 0 CCADLP C[C@@H](CF)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000644895510 390340833 /nfs/dbraw/zinc/34/08/33/390340833.db2.gz ATAVXFVSSVCEQQ-NWDGAFQWSA-N 2 2 286.395 0.812 20 0 CCADLP C[C@@H](CF)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000644895510 390340837 /nfs/dbraw/zinc/34/08/37/390340837.db2.gz ATAVXFVSSVCEQQ-NWDGAFQWSA-N 2 2 286.395 0.812 20 0 CCADLP CN(C)c1[nH+]cc(CN2CC[C@@H]3C[N@H+](C)C[C@H]32)n1C ZINC000644903692 390343246 /nfs/dbraw/zinc/34/32/46/390343246.db2.gz DNRGDOORMJOJHQ-DGCLKSJQSA-N 2 2 263.389 0.622 20 0 CCADLP CN(C)c1[nH+]cc(CN2CC[C@@H]3C[N@@H+](C)C[C@H]32)n1C ZINC000644903692 390343248 /nfs/dbraw/zinc/34/32/48/390343248.db2.gz DNRGDOORMJOJHQ-DGCLKSJQSA-N 2 2 263.389 0.622 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)N[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000584459594 390346448 /nfs/dbraw/zinc/34/64/48/390346448.db2.gz ZJDJGMNSWSLRBU-KGLIPLIRSA-N 2 2 298.431 0.539 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000584459594 390346452 /nfs/dbraw/zinc/34/64/52/390346452.db2.gz ZJDJGMNSWSLRBU-KGLIPLIRSA-N 2 2 298.431 0.539 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cccc3nccn32)C1 ZINC000546566124 390350674 /nfs/dbraw/zinc/35/06/74/390350674.db2.gz XEVDSHPSHJCDFV-CQSZACIVSA-N 3 2 260.341 0.491 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cccc3nccn32)C1 ZINC000546566124 390350677 /nfs/dbraw/zinc/35/06/77/390350677.db2.gz XEVDSHPSHJCDFV-CQSZACIVSA-N 2 2 260.341 0.491 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000546566124 390350679 /nfs/dbraw/zinc/35/06/79/390350679.db2.gz XEVDSHPSHJCDFV-CQSZACIVSA-N 3 2 260.341 0.491 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000546566124 390350682 /nfs/dbraw/zinc/35/06/82/390350682.db2.gz XEVDSHPSHJCDFV-CQSZACIVSA-N 3 2 260.341 0.491 20 0 CCADLP CN(C[C@@H](O)C[NH2+]CCn1cc[nH+]c1)C(=O)OC(C)(C)C ZINC000496776586 390362462 /nfs/dbraw/zinc/36/24/62/390362462.db2.gz PASJUJFMIPNHQF-LBPRGKRZSA-N 2 2 298.387 0.701 20 0 CCADLP COc1c(C)[nH+]c(C2CC2)nc1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000624681479 390402476 /nfs/dbraw/zinc/40/24/76/390402476.db2.gz TYOGPDJPMHCXEX-GFCCVEGCSA-N 2 2 292.383 0.571 20 0 CCADLP COc1c(C)[nH+]c(C2CC2)nc1NCC[N@H+]1CC[C@@H](O)C1 ZINC000624681479 390402479 /nfs/dbraw/zinc/40/24/79/390402479.db2.gz TYOGPDJPMHCXEX-GFCCVEGCSA-N 2 2 292.383 0.571 20 0 CCADLP COC1(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000648780561 390407655 /nfs/dbraw/zinc/40/76/55/390407655.db2.gz PHHGOPYIGUHXIZ-LBPRGKRZSA-N 2 2 281.400 0.450 20 0 CCADLP COC1(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000648780561 390407657 /nfs/dbraw/zinc/40/76/57/390407657.db2.gz PHHGOPYIGUHXIZ-LBPRGKRZSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@@H]1[C@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC000648822415 390416532 /nfs/dbraw/zinc/41/65/32/390416532.db2.gz VQAREJMYYJPFTO-HZSPNIEDSA-N 2 2 281.400 0.260 20 0 CCADLP C[C@@H]1[C@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC[N@H+]1C ZINC000648822415 390416534 /nfs/dbraw/zinc/41/65/34/390416534.db2.gz VQAREJMYYJPFTO-HZSPNIEDSA-N 2 2 281.400 0.260 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000554142925 390422577 /nfs/dbraw/zinc/42/25/77/390422577.db2.gz ZJMNKJCSMFDZPO-CQSZACIVSA-N 2 2 262.357 0.517 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000554142925 390422580 /nfs/dbraw/zinc/42/25/80/390422580.db2.gz ZJMNKJCSMFDZPO-CQSZACIVSA-N 2 2 262.357 0.517 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)[C@@H]1CCCO1 ZINC000527958163 285375052 /nfs/dbraw/zinc/37/50/52/285375052.db2.gz VBADNFSLXRSREN-SAXRGWBVSA-N 2 2 254.374 0.599 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)[C@@H]1CCCO1 ZINC000527958163 285375059 /nfs/dbraw/zinc/37/50/59/285375059.db2.gz VBADNFSLXRSREN-SAXRGWBVSA-N 2 2 254.374 0.599 20 0 CCADLP NC(=O)NC(=O)CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000554603844 390436708 /nfs/dbraw/zinc/43/67/08/390436708.db2.gz KJOQUDCDBIGWOS-UHFFFAOYSA-N 2 2 291.355 0.225 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cc3cccnc3o2)CC1 ZINC000648437268 390373260 /nfs/dbraw/zinc/37/32/60/390373260.db2.gz JXFYWTIOJABGDQ-UHFFFAOYSA-N 2 2 288.351 0.691 20 0 CCADLP C[C@H]1C[C@H](N(C)C(=O)Cc2c[nH+]cn2C)CC[N@@H+]1C ZINC000547539930 390382186 /nfs/dbraw/zinc/38/21/86/390382186.db2.gz QIMMSBUMQGNVNN-NWDGAFQWSA-N 2 2 264.373 0.904 20 0 CCADLP C[C@H]1C[C@H](N(C)C(=O)Cc2c[nH+]cn2C)CC[N@H+]1C ZINC000547539930 390382189 /nfs/dbraw/zinc/38/21/89/390382189.db2.gz QIMMSBUMQGNVNN-NWDGAFQWSA-N 2 2 264.373 0.904 20 0 CCADLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000547631101 390386710 /nfs/dbraw/zinc/38/67/10/390386710.db2.gz XEEJULXURUACNJ-NEPJUHHUSA-N 2 2 289.383 0.734 20 0 CCADLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000547631101 390386712 /nfs/dbraw/zinc/38/67/12/390386712.db2.gz XEEJULXURUACNJ-NEPJUHHUSA-N 2 2 289.383 0.734 20 0 CCADLP CC1(C)C[NH2+][C@H]1C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000645236770 390393518 /nfs/dbraw/zinc/39/35/18/390393518.db2.gz SIDSOZHHXRJESS-AWEZNQCLSA-N 2 2 288.395 0.724 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@@H+]1C ZINC000648715435 390394504 /nfs/dbraw/zinc/39/45/04/390394504.db2.gz XRQKSSSJWTWMRU-CHWSQXEVSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@H+]1C ZINC000648715435 390394506 /nfs/dbraw/zinc/39/45/06/390394506.db2.gz XRQKSSSJWTWMRU-CHWSQXEVSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)(C(=O)NCCCCn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000554787801 390441280 /nfs/dbraw/zinc/44/12/80/390441280.db2.gz IYHALTOFMLTMOB-UHFFFAOYSA-N 2 2 294.399 0.890 20 0 CCADLP CC[C@H]([NH3+])C(=O)NC[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000517739052 390490713 /nfs/dbraw/zinc/49/07/13/390490713.db2.gz HPHXRMXCJHXFMV-SRVKXCTJSA-N 2 2 297.378 0.186 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC2CC(C)(C)C2)[C@H](C[NH3+])C1 ZINC000565411289 390510406 /nfs/dbraw/zinc/51/04/06/390510406.db2.gz OWPXBLYIZUQXPY-GFCCVEGCSA-N 2 2 268.405 0.707 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC2CC(C)(C)C2)[C@H](C[NH3+])C1 ZINC000565411289 390510409 /nfs/dbraw/zinc/51/04/09/390510409.db2.gz OWPXBLYIZUQXPY-GFCCVEGCSA-N 2 2 268.405 0.707 20 0 CCADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH+]1CCOCC1 ZINC000555227325 390450358 /nfs/dbraw/zinc/45/03/58/390450358.db2.gz ZIPWORXVZLURPO-NEPJUHHUSA-N 2 2 266.345 0.109 20 0 CCADLP C[C@H]([NH2+]CCc1nnnn1-c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000643488121 390454044 /nfs/dbraw/zinc/45/40/44/390454044.db2.gz BHKOWRBSQNDMRR-GXTWGEPZSA-N 2 2 286.383 0.935 20 0 CCADLP CC[NH2+]CC[NH2+][C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000643505281 390456814 /nfs/dbraw/zinc/45/68/14/390456814.db2.gz AWAGRSKYDFEWQG-NSHDSACASA-N 2 2 260.345 0.922 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649320675 390578694 /nfs/dbraw/zinc/57/86/94/390578694.db2.gz VUNHVNLQKLICFM-QWRGUYRKSA-N 2 2 291.342 0.068 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649320675 390578696 /nfs/dbraw/zinc/57/86/96/390578696.db2.gz VUNHVNLQKLICFM-QWRGUYRKSA-N 2 2 291.342 0.068 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCn2cccc2)C[C@@H](C)O1 ZINC000566111133 390579750 /nfs/dbraw/zinc/57/97/50/390579750.db2.gz YPNBQNCLDNYCMS-KFWWJZLASA-N 2 2 281.400 0.548 20 0 CCADLP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000649211875 390523897 /nfs/dbraw/zinc/52/38/97/390523897.db2.gz FBVNMQWHGPDSOV-OCCSQVGLSA-N 2 2 292.383 0.282 20 0 CCADLP CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000649211875 390523901 /nfs/dbraw/zinc/52/39/01/390523901.db2.gz FBVNMQWHGPDSOV-OCCSQVGLSA-N 2 2 292.383 0.282 20 0 CCADLP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000649211874 390524715 /nfs/dbraw/zinc/52/47/15/390524715.db2.gz FBVNMQWHGPDSOV-JSGCOSHPSA-N 2 2 292.383 0.282 20 0 CCADLP CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000649211874 390524717 /nfs/dbraw/zinc/52/47/17/390524717.db2.gz FBVNMQWHGPDSOV-JSGCOSHPSA-N 2 2 292.383 0.282 20 0 CCADLP CCN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000565634986 390531265 /nfs/dbraw/zinc/53/12/65/390531265.db2.gz WIJJPLQPOCIMOH-GFCCVEGCSA-N 2 2 279.388 0.789 20 0 CCADLP Cn1c[nH+]cc1C[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000645937483 390535612 /nfs/dbraw/zinc/53/56/12/390535612.db2.gz GUXYSLZVHDBWBP-JTQLQIEISA-N 2 2 256.300 0.945 20 0 CCADLP Cn1c[nH+]cc1C[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000645937483 390535616 /nfs/dbraw/zinc/53/56/16/390535616.db2.gz GUXYSLZVHDBWBP-JTQLQIEISA-N 2 2 256.300 0.945 20 0 CCADLP COC[C@@]1(C(=O)N(C)Cc2[nH+]ccn2C)CCC[NH2+]1 ZINC000643774060 390540115 /nfs/dbraw/zinc/54/01/15/390540115.db2.gz HLFNLARCQOMNHR-CYBMUJFWSA-N 2 2 266.345 0.147 20 0 CCADLP Cn1cc[nH+]c1CN1CCN(C(=O)CC2([NH3+])CCC2)CC1 ZINC000645943985 390542241 /nfs/dbraw/zinc/54/22/41/390542241.db2.gz AZLFPGJHWXUUMK-UHFFFAOYSA-N 2 2 291.399 0.336 20 0 CCADLP [NH3+]Cc1nc(C(=O)NCCNc2cccc[nH+]2)cs1 ZINC000565831521 390550593 /nfs/dbraw/zinc/55/05/93/390550593.db2.gz VEVLGZSIAMLTKA-UHFFFAOYSA-N 2 2 277.353 0.839 20 0 CCADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000566171479 390590685 /nfs/dbraw/zinc/59/06/85/390590685.db2.gz MCTOXMDVAFUGOQ-YPMHNXCESA-N 2 2 272.352 0.991 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645978156 390557247 /nfs/dbraw/zinc/55/72/47/390557247.db2.gz VRJWHAPFIFQWPR-UONOGXRCSA-N 3 2 296.459 0.659 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645978156 390557251 /nfs/dbraw/zinc/55/72/51/390557251.db2.gz VRJWHAPFIFQWPR-UONOGXRCSA-N 3 2 296.459 0.659 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC(C)(C)C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000520204504 390557595 /nfs/dbraw/zinc/55/75/95/390557595.db2.gz UMUVSVXPFIVYHF-VIFPVBQESA-N 2 2 296.337 0.859 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC(C)(C)C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000520204504 390557600 /nfs/dbraw/zinc/55/76/00/390557600.db2.gz UMUVSVXPFIVYHF-VIFPVBQESA-N 2 2 296.337 0.859 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)c2ccc(C[NH3+])o2)n1C ZINC000645983978 390558323 /nfs/dbraw/zinc/55/83/23/390558323.db2.gz ZHDKSUGXEHEJKD-UHFFFAOYSA-N 2 2 277.328 0.468 20 0 CCADLP C[NH+](C)CCOC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000565926576 390559040 /nfs/dbraw/zinc/55/90/40/390559040.db2.gz SMFRNFSJMYRWCM-UHFFFAOYSA-N 2 2 280.372 0.452 20 0 CCADLP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000649302450 390561835 /nfs/dbraw/zinc/56/18/35/390561835.db2.gz QMISFPBKOUNIQC-QCNOEVLYSA-N 2 2 260.341 0.866 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000649312084 390570624 /nfs/dbraw/zinc/57/06/24/390570624.db2.gz NIROMXUCCZNQPQ-WOPDTQHZSA-N 2 2 257.378 0.197 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000649312084 390570628 /nfs/dbraw/zinc/57/06/28/390570628.db2.gz NIROMXUCCZNQPQ-WOPDTQHZSA-N 2 2 257.378 0.197 20 0 CCADLP C[NH2+][C@H](C)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000566471799 390618654 /nfs/dbraw/zinc/61/86/54/390618654.db2.gz SIEDIQZNKICFEA-SSDOTTSWSA-N 2 2 254.359 0.677 20 0 CCADLP C[NH2+][C@H](C)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000566471799 390618658 /nfs/dbraw/zinc/61/86/58/390618658.db2.gz SIEDIQZNKICFEA-SSDOTTSWSA-N 2 2 254.359 0.677 20 0 CCADLP Cc1[nH]c(CNC[C@@H]2C[N@@H+](C)CCN2C)[nH+]c1C ZINC000566496146 390623395 /nfs/dbraw/zinc/62/33/95/390623395.db2.gz BWPIEKBKUSANBF-GFCCVEGCSA-N 2 2 251.378 0.362 20 0 CCADLP Cc1[nH]c(CNC[C@@H]2C[N@H+](C)CCN2C)[nH+]c1C ZINC000566496146 390623402 /nfs/dbraw/zinc/62/34/02/390623402.db2.gz BWPIEKBKUSANBF-GFCCVEGCSA-N 2 2 251.378 0.362 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000522228175 390629595 /nfs/dbraw/zinc/62/95/95/390629595.db2.gz CQMFHCBACOBDRV-NWDGAFQWSA-N 2 2 277.372 0.808 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000522228175 390629598 /nfs/dbraw/zinc/62/95/98/390629598.db2.gz CQMFHCBACOBDRV-NWDGAFQWSA-N 2 2 277.372 0.808 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000646215808 390637227 /nfs/dbraw/zinc/63/72/27/390637227.db2.gz FEMHMBWMTULFMD-ZDEQEGDKSA-N 2 2 284.404 0.275 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000646215808 390637231 /nfs/dbraw/zinc/63/72/31/390637231.db2.gz FEMHMBWMTULFMD-ZDEQEGDKSA-N 2 2 284.404 0.275 20 0 CCADLP C[C@@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])CC(F)F ZINC000646219152 390639916 /nfs/dbraw/zinc/63/99/16/390639916.db2.gz CRSXUKMVDUHHRF-ZJUUUORDSA-N 2 2 278.347 0.562 20 0 CCADLP C[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])CC(F)F ZINC000646219152 390639918 /nfs/dbraw/zinc/63/99/18/390639918.db2.gz CRSXUKMVDUHHRF-ZJUUUORDSA-N 2 2 278.347 0.562 20 0 CCADLP Nc1ccc(NC(=O)[C@H]2C[NH2+]CCC2(F)F)c[nH+]1 ZINC000644084493 390650373 /nfs/dbraw/zinc/65/03/73/390650373.db2.gz FDUZATMQYHKMSQ-MRVPVSSYSA-N 2 2 256.256 0.677 20 0 CCADLP Cc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1F ZINC000566866793 390655808 /nfs/dbraw/zinc/65/58/08/390655808.db2.gz QUKCGXVHZJPPSM-TZMCWYRMSA-N 2 2 277.343 0.878 20 0 CCADLP Cc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1F ZINC000566866793 390655810 /nfs/dbraw/zinc/65/58/10/390655810.db2.gz QUKCGXVHZJPPSM-TZMCWYRMSA-N 2 2 277.343 0.878 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@]1(CO)CCOc2ccccc21 ZINC000566893766 390657215 /nfs/dbraw/zinc/65/72/15/390657215.db2.gz ZUKIVHWCROHQIG-XJKSGUPXSA-N 2 2 294.395 0.559 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@]1(CO)CCOc2ccccc21 ZINC000566893766 390657219 /nfs/dbraw/zinc/65/72/19/390657219.db2.gz ZUKIVHWCROHQIG-XJKSGUPXSA-N 2 2 294.395 0.559 20 0 CCADLP Cc1nn2c(C[NH2+]C[C@H]3C[NH2+]CCN3C)c(C)nc2s1 ZINC000566902862 390657291 /nfs/dbraw/zinc/65/72/91/390657291.db2.gz RNCRYADBFSTDDE-LLVKDONJSA-N 2 2 294.428 0.401 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@H]2[NH2+]CC2(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000646115360 390605784 /nfs/dbraw/zinc/60/57/84/390605784.db2.gz OXAWGQRDXRQCAB-MGPQQGTHSA-N 2 2 295.427 0.554 20 0 CCADLP Cc1cccn2cc(CCNC(=O)COCC[NH3+])[nH+]c12 ZINC000646138603 390616264 /nfs/dbraw/zinc/61/62/64/390616264.db2.gz NNDPUZXEBQLLOS-UHFFFAOYSA-N 2 2 276.340 0.277 20 0 CCADLP Cc1cccn2cc(CCNC(=O)[C@H]3C[NH2+]CCO3)[nH+]c12 ZINC000646138208 390616345 /nfs/dbraw/zinc/61/63/45/390616345.db2.gz GATXSUGFKZKYBJ-CYBMUJFWSA-N 2 2 288.351 0.290 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[N@H+](C)CC1 ZINC000567624140 390707218 /nfs/dbraw/zinc/70/72/18/390707218.db2.gz FYXNGRCBXRKDGB-NSHDSACASA-N 2 2 250.346 0.752 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[N@@H+](C)CC1 ZINC000567624140 390707221 /nfs/dbraw/zinc/70/72/21/390707221.db2.gz FYXNGRCBXRKDGB-NSHDSACASA-N 2 2 250.346 0.752 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[N@H+](C)CC1 ZINC000567624140 390707223 /nfs/dbraw/zinc/70/72/23/390707223.db2.gz FYXNGRCBXRKDGB-NSHDSACASA-N 2 2 250.346 0.752 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[N@@H+](C)CC1 ZINC000567624140 390707225 /nfs/dbraw/zinc/70/72/25/390707225.db2.gz FYXNGRCBXRKDGB-NSHDSACASA-N 2 2 250.346 0.752 20 0 CCADLP Cc1cccc(C)c1CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000570925140 390724530 /nfs/dbraw/zinc/72/45/30/390724530.db2.gz GLQICAZSXIOIEP-AWEZNQCLSA-N 2 2 275.396 0.947 20 0 CCADLP Cc1cccc(C)c1CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000570925140 390724532 /nfs/dbraw/zinc/72/45/32/390724532.db2.gz GLQICAZSXIOIEP-AWEZNQCLSA-N 2 2 275.396 0.947 20 0 CCADLP C[C@H](CN1CCOCC1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000570928964 390724846 /nfs/dbraw/zinc/72/48/46/390724846.db2.gz WTIWMKOETLQKEK-MCIONIFRSA-N 2 2 253.390 0.248 20 0 CCADLP C[C@H](CN1CCOCC1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000570928964 390724847 /nfs/dbraw/zinc/72/48/47/390724847.db2.gz WTIWMKOETLQKEK-MCIONIFRSA-N 2 2 253.390 0.248 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](OCC(C)C)C1 ZINC000567058469 390669549 /nfs/dbraw/zinc/66/95/49/390669549.db2.gz RXEISQGRAFUFFI-LSDHHAIUSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](OCC(C)C)C1 ZINC000567058469 390669552 /nfs/dbraw/zinc/66/95/52/390669552.db2.gz RXEISQGRAFUFFI-LSDHHAIUSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000567058469 390669553 /nfs/dbraw/zinc/66/95/53/390669553.db2.gz RXEISQGRAFUFFI-LSDHHAIUSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000567058469 390669556 /nfs/dbraw/zinc/66/95/56/390669556.db2.gz RXEISQGRAFUFFI-LSDHHAIUSA-N 2 2 288.432 0.672 20 0 CCADLP c1cc(C[NH+]2CCN(CCN3CC[NH2+]CC3)CC2)cs1 ZINC000567114095 390672935 /nfs/dbraw/zinc/67/29/35/390672935.db2.gz BUNJVRSPHANEKR-UHFFFAOYSA-N 2 2 294.468 0.771 20 0 CCADLP OCCC[N@@H+]1CCC[C@@H]([NH2+]CC2(O)CCCC2)C1 ZINC000567166806 390676869 /nfs/dbraw/zinc/67/68/69/390676869.db2.gz QIBMAGZIADKFTO-CYBMUJFWSA-N 2 2 256.390 0.728 20 0 CCADLP OCCC[N@H+]1CCC[C@@H]([NH2+]CC2(O)CCCC2)C1 ZINC000567166806 390676871 /nfs/dbraw/zinc/67/68/71/390676871.db2.gz QIBMAGZIADKFTO-CYBMUJFWSA-N 2 2 256.390 0.728 20 0 CCADLP Cn1cc(-c2ncc(C[N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)cn2)cn1 ZINC000527237631 390697395 /nfs/dbraw/zinc/69/73/95/390697395.db2.gz VZXWHLTZXAMKKM-GASCZTMLSA-N 2 2 298.394 0.871 20 0 CCADLP Cn1cc(-c2ncc(C[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)cn2)cn1 ZINC000527237631 390697397 /nfs/dbraw/zinc/69/73/97/390697397.db2.gz VZXWHLTZXAMKKM-GASCZTMLSA-N 2 2 298.394 0.871 20 0 CCADLP Cn1cc(-c2ncc(C[NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)cn2)cn1 ZINC000527237631 390697400 /nfs/dbraw/zinc/69/74/00/390697400.db2.gz VZXWHLTZXAMKKM-GASCZTMLSA-N 2 2 298.394 0.871 20 0 CCADLP Cn1cc(-c2ncc(C[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)cn2)cn1 ZINC000527237631 390697404 /nfs/dbraw/zinc/69/74/04/390697404.db2.gz VZXWHLTZXAMKKM-GASCZTMLSA-N 2 2 298.394 0.871 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000567485380 390700804 /nfs/dbraw/zinc/70/08/04/390700804.db2.gz DPRHNVLVLIPKPF-AGIUHOORSA-N 2 2 294.399 0.502 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000567485380 390700806 /nfs/dbraw/zinc/70/08/06/390700806.db2.gz DPRHNVLVLIPKPF-AGIUHOORSA-N 2 2 294.399 0.502 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000567485380 390700808 /nfs/dbraw/zinc/70/08/08/390700808.db2.gz DPRHNVLVLIPKPF-AGIUHOORSA-N 2 2 294.399 0.502 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000567485380 390700809 /nfs/dbraw/zinc/70/08/09/390700809.db2.gz DPRHNVLVLIPKPF-AGIUHOORSA-N 2 2 294.399 0.502 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)CC2CC[NH2+]CC2)CCO1 ZINC000571764301 390751843 /nfs/dbraw/zinc/75/18/43/390751843.db2.gz ULOGUVFKFFRKTE-GFCCVEGCSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)CC2CC[NH2+]CC2)CCO1 ZINC000571764301 390751845 /nfs/dbraw/zinc/75/18/45/390751845.db2.gz ULOGUVFKFFRKTE-GFCCVEGCSA-N 2 2 269.389 0.213 20 0 CCADLP O[C@H](C[NH+]1CCC([NH+]2CCOCC2)CC1)CC1(O)CCC1 ZINC000528556616 390757567 /nfs/dbraw/zinc/75/75/67/390757567.db2.gz WKFJSEOYIZCSJN-HNNXBMFYSA-N 2 2 298.427 0.449 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000571892651 390758195 /nfs/dbraw/zinc/75/81/95/390758195.db2.gz JXTSKOFSIQBKOZ-JHJVBQTASA-N 2 2 294.399 0.814 20 0 CCADLP CNC(=O)NC[C@H]1C[N@H+](CCCn2cc[nH+]c2C)CCO1 ZINC000528626471 390763819 /nfs/dbraw/zinc/76/38/19/390763819.db2.gz QFECLBOLFLIANP-ZDUSSCGKSA-N 2 2 295.387 0.211 20 0 CCADLP CNC(=O)NC[C@H]1C[N@@H+](CCCn2cc[nH+]c2C)CCO1 ZINC000528626471 390763820 /nfs/dbraw/zinc/76/38/20/390763820.db2.gz QFECLBOLFLIANP-ZDUSSCGKSA-N 2 2 295.387 0.211 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647058386 390767336 /nfs/dbraw/zinc/76/73/36/390767336.db2.gz FEEOCUNCMNFOQH-AVGNSLFASA-N 2 2 287.379 0.304 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647058386 390767339 /nfs/dbraw/zinc/76/73/39/390767339.db2.gz FEEOCUNCMNFOQH-AVGNSLFASA-N 2 2 287.379 0.304 20 0 CCADLP CC1([NH+]2CCOCC2)CC[NH+](CCN2CCNC2=O)CC1 ZINC000528726376 390771810 /nfs/dbraw/zinc/77/18/10/390771810.db2.gz IJQVRLKTLXFXGD-UHFFFAOYSA-N 2 2 296.415 0.198 20 0 CCADLP Cc1c[nH+]ccc1CC[NH2+][C@H](CO)c1ccnn1C ZINC000572238986 390773765 /nfs/dbraw/zinc/77/37/65/390773765.db2.gz DOACDCZFCKTIIT-CYBMUJFWSA-N 2 2 260.341 0.989 20 0 CCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000572541517 390789047 /nfs/dbraw/zinc/78/90/47/390789047.db2.gz BUBZJNCMDGJOQM-KFWWJZLASA-N 3 2 296.459 0.789 20 0 CCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000572541517 390789049 /nfs/dbraw/zinc/78/90/49/390789049.db2.gz BUBZJNCMDGJOQM-KFWWJZLASA-N 3 2 296.459 0.789 20 0 CCADLP CCc1cccc(OC[C@H](O)C[NH2+]C[C@H](O)C[NH+](C)C)c1 ZINC000572643169 390794301 /nfs/dbraw/zinc/79/43/01/390794301.db2.gz LLTNFWICZGCEOM-LSDHHAIUSA-N 2 2 296.411 0.501 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](CCOC)[C@@H]1CCO[C@H]1C ZINC000572852184 390807791 /nfs/dbraw/zinc/80/77/91/390807791.db2.gz ASCUBWWBGGDCHL-MELADBBJSA-N 2 2 274.405 0.425 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](CCOC)[C@@H]1CCO[C@H]1C ZINC000572852184 390807793 /nfs/dbraw/zinc/80/77/93/390807793.db2.gz ASCUBWWBGGDCHL-MELADBBJSA-N 2 2 274.405 0.425 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](CCOC)[C@@H]1CCO[C@H]1C ZINC000572852184 390807796 /nfs/dbraw/zinc/80/77/96/390807796.db2.gz ASCUBWWBGGDCHL-MELADBBJSA-N 2 2 274.405 0.425 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](CCOC)[C@@H]1CCO[C@H]1C ZINC000572852184 390807798 /nfs/dbraw/zinc/80/77/98/390807798.db2.gz ASCUBWWBGGDCHL-MELADBBJSA-N 2 2 274.405 0.425 20 0 CCADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000572759349 390801881 /nfs/dbraw/zinc/80/18/81/390801881.db2.gz AIVHIEMRLOIEIZ-VXGBXAGGSA-N 2 2 286.420 0.522 20 0 CCADLP O=C(NCc1ccn2cc[nH+]c2c1)N1CC[NH2+]CC1 ZINC000571506578 390738278 /nfs/dbraw/zinc/73/82/78/390738278.db2.gz MBZLDALNHCXPRF-UHFFFAOYSA-N 2 2 259.313 0.449 20 0 CCADLP Cc1c[nH+]ccc1CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000571551902 390740888 /nfs/dbraw/zinc/74/08/88/390740888.db2.gz ZTUMVNFFFYDNNY-HNNXBMFYSA-N 3 2 263.385 0.977 20 0 CCADLP Cc1c[nH+]ccc1CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000571551902 390740889 /nfs/dbraw/zinc/74/08/89/390740889.db2.gz ZTUMVNFFFYDNNY-HNNXBMFYSA-N 3 2 263.385 0.977 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@]2(CNC(=O)C2)C1)C1CC1 ZINC000571569768 390742256 /nfs/dbraw/zinc/74/22/56/390742256.db2.gz ISVBFJNCUGWDMN-ZFWWWQNUSA-N 2 2 281.400 0.044 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@]2(CNC(=O)C2)C1)C1CC1 ZINC000571569768 390742257 /nfs/dbraw/zinc/74/22/57/390742257.db2.gz ISVBFJNCUGWDMN-ZFWWWQNUSA-N 2 2 281.400 0.044 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@]2(CNC(=O)C2)C1)C1CC1 ZINC000571569768 390742259 /nfs/dbraw/zinc/74/22/59/390742259.db2.gz ISVBFJNCUGWDMN-ZFWWWQNUSA-N 2 2 281.400 0.044 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@]2(CNC(=O)C2)C1)C1CC1 ZINC000571569768 390742261 /nfs/dbraw/zinc/74/22/61/390742261.db2.gz ISVBFJNCUGWDMN-ZFWWWQNUSA-N 2 2 281.400 0.044 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2CCOC[C@@H]2C)C[C@H](C)O1 ZINC000578301003 390875492 /nfs/dbraw/zinc/87/54/92/390875492.db2.gz PBTBMOGZKIXNAS-VQJWOFKYSA-N 2 2 286.416 0.471 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2CCOC[C@@H]2C)C[C@H](C)O1 ZINC000578301003 390875494 /nfs/dbraw/zinc/87/54/94/390875494.db2.gz PBTBMOGZKIXNAS-VQJWOFKYSA-N 2 2 286.416 0.471 20 0 CCADLP Cc1cc(C)c(CNC(=O)NC[C@@H]2COCC[NH2+]2)c[nH+]1 ZINC000529330686 390810540 /nfs/dbraw/zinc/81/05/40/390810540.db2.gz LRYKKTFQOUSCTN-CYBMUJFWSA-N 2 2 278.356 0.486 20 0 CCADLP C[C@@H]1C[N@H+](CCC[NH2+]C[C@@H](O)C[NH+](C)C2CC2)CCCO1 ZINC000572993101 390817514 /nfs/dbraw/zinc/81/75/14/390817514.db2.gz NXCZDIJUXXYXPP-GDBMZVCRSA-N 3 2 299.459 0.532 20 0 CCADLP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)C[NH+](C)C2CC2)CCCO1 ZINC000572993101 390817517 /nfs/dbraw/zinc/81/75/17/390817517.db2.gz NXCZDIJUXXYXPP-GDBMZVCRSA-N 3 2 299.459 0.532 20 0 CCADLP C[C@@H]1C[NH+](CCC[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CCCO1 ZINC000572993101 390817520 /nfs/dbraw/zinc/81/75/20/390817520.db2.gz NXCZDIJUXXYXPP-GDBMZVCRSA-N 3 2 299.459 0.532 20 0 CCADLP C[C@@H]1C[NH+](CCC[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CCCO1 ZINC000572993101 390817523 /nfs/dbraw/zinc/81/75/23/390817523.db2.gz NXCZDIJUXXYXPP-GDBMZVCRSA-N 3 2 299.459 0.532 20 0 CCADLP C[C@H](CC(=O)NCC[N@@H+]1CCO[C@H](C)C1)n1cc[nH+]c1 ZINC000574920303 390825509 /nfs/dbraw/zinc/82/55/09/390825509.db2.gz FZUSBOFTCAGKFU-CHWSQXEVSA-N 2 2 280.372 0.671 20 0 CCADLP C[C@H](CC(=O)NCC[N@H+]1CCO[C@H](C)C1)n1cc[nH+]c1 ZINC000574920303 390825513 /nfs/dbraw/zinc/82/55/13/390825513.db2.gz FZUSBOFTCAGKFU-CHWSQXEVSA-N 2 2 280.372 0.671 20 0 CCADLP Cc1cccn2cc(CC(=O)NC[C@H](C)C[NH3+])[nH+]c12 ZINC000574920079 390825544 /nfs/dbraw/zinc/82/55/44/390825544.db2.gz YLEIKAOGOTWMBH-SNVBAGLBSA-N 2 2 260.341 0.896 20 0 CCADLP COC[C@@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000647526928 390832647 /nfs/dbraw/zinc/83/26/47/390832647.db2.gz VAITVEBMFTXIJE-HUUCEWRRSA-N 2 2 282.384 0.076 20 0 CCADLP COC[C@@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000647526928 390832648 /nfs/dbraw/zinc/83/26/48/390832648.db2.gz VAITVEBMFTXIJE-HUUCEWRRSA-N 2 2 282.384 0.076 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000575107692 390832950 /nfs/dbraw/zinc/83/29/50/390832950.db2.gz LOHCYKKAVXRXTC-IJLUTSLNSA-N 2 2 295.387 0.684 20 0 CCADLP C[N@@H+]1CCN(Cc2cccc3c2OCCO3)[C@H](C[NH3+])C1 ZINC000647539387 390837526 /nfs/dbraw/zinc/83/75/26/390837526.db2.gz YYMWILGIMQZLFT-CYBMUJFWSA-N 2 2 277.368 0.533 20 0 CCADLP C[N@H+]1CCN(Cc2cccc3c2OCCO3)[C@H](C[NH3+])C1 ZINC000647539387 390837527 /nfs/dbraw/zinc/83/75/27/390837527.db2.gz YYMWILGIMQZLFT-CYBMUJFWSA-N 2 2 277.368 0.533 20 0 CCADLP Cc1ccc(C2CC[NH+]([C@H]3CC(=O)NC3=O)CC2)c[nH+]1 ZINC000578451166 390884727 /nfs/dbraw/zinc/88/47/27/390884727.db2.gz XLRDRSCPLBAPMY-ZDUSSCGKSA-N 2 2 273.336 0.985 20 0 CCADLP C[C@@H](O)CNc1cc(N2CCC(CC[NH3+])CC2)nc[nH+]1 ZINC000578511722 390888169 /nfs/dbraw/zinc/88/81/69/390888169.db2.gz CMFWJLYKXYMMAX-LLVKDONJSA-N 2 2 279.388 0.835 20 0 CCADLP C[C@@H](O)CNc1cc(N2CCC(CC[NH3+])CC2)[nH+]cn1 ZINC000578511722 390888173 /nfs/dbraw/zinc/88/81/73/390888173.db2.gz CMFWJLYKXYMMAX-LLVKDONJSA-N 2 2 279.388 0.835 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCc2cnn(C)c2)C[C@H](C)O1 ZINC000578618680 390894660 /nfs/dbraw/zinc/89/46/60/390894660.db2.gz MARMUZLVJRYLPW-VNHYZAJKSA-N 2 2 296.415 0.022 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCc2cnn(C)c2)C[C@H](C)O1 ZINC000578618680 390894662 /nfs/dbraw/zinc/89/46/62/390894662.db2.gz MARMUZLVJRYLPW-VNHYZAJKSA-N 2 2 296.415 0.022 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2CCCC[NH2+]2)C[C@@H]1C ZINC000423900665 533423134 /nfs/dbraw/zinc/42/31/34/533423134.db2.gz RXBWTGLROWRSJZ-QWHCGFSZSA-N 2 2 297.399 0.224 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2CCCC[NH2+]2)C[C@@H]1C ZINC000423900665 533423141 /nfs/dbraw/zinc/42/31/41/533423141.db2.gz RXBWTGLROWRSJZ-QWHCGFSZSA-N 2 2 297.399 0.224 20 0 CCADLP C[C@@H](CCCC[NH3+])NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418693127 533533277 /nfs/dbraw/zinc/53/32/77/533533277.db2.gz JJDXIAXPFCYZQF-MELADBBJSA-N 2 2 298.431 0.666 20 0 CCADLP C[C@@H](CCCC[NH3+])NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418693127 533533279 /nfs/dbraw/zinc/53/32/79/533533279.db2.gz JJDXIAXPFCYZQF-MELADBBJSA-N 2 2 298.431 0.666 20 0 CCADLP Cc1cc(CNC(=O)C2([NH3+])CCOCC2)cc(C)[nH+]1 ZINC000424203227 533646323 /nfs/dbraw/zinc/64/63/23/533646323.db2.gz RIFIXDHLDKOCFE-UHFFFAOYSA-N 2 2 263.341 0.823 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000341852844 130095512 /nfs/dbraw/zinc/09/55/12/130095512.db2.gz ZUCACXRRLGVZOT-UONOGXRCSA-N 2 2 282.432 0.175 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000341852844 130095514 /nfs/dbraw/zinc/09/55/14/130095514.db2.gz ZUCACXRRLGVZOT-UONOGXRCSA-N 2 2 282.432 0.175 20 0 CCADLP [NH3+]CCC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000237864255 131061403 /nfs/dbraw/zinc/06/14/03/131061403.db2.gz QBZHPKKAPFZREA-AWEZNQCLSA-N 2 2 277.368 0.352 20 0 CCADLP [NH3+]CCC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000237864255 131061404 /nfs/dbraw/zinc/06/14/04/131061404.db2.gz QBZHPKKAPFZREA-AWEZNQCLSA-N 2 2 277.368 0.352 20 0 CCADLP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)[C@H]1COCC[NH2+]1 ZINC000269253287 132142988 /nfs/dbraw/zinc/14/29/88/132142988.db2.gz IKNMFXRCWHGDSK-LLVKDONJSA-N 2 2 273.296 0.194 20 0 CCADLP O=C1CC[C@@H](C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)N1 ZINC000657712254 413055097 /nfs/dbraw/zinc/05/50/97/413055097.db2.gz ZJHWJMAOVWYFOE-AWEZNQCLSA-N 2 2 288.395 0.914 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]C2CC(CF)(CF)C2)CC1 ZINC000657858306 413068255 /nfs/dbraw/zinc/06/82/55/413068255.db2.gz ZFUOSDOWESCDDO-UHFFFAOYSA-N 2 2 275.343 0.438 20 0 CCADLP c1ncn(CC[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)n1 ZINC000685412807 545815242 /nfs/dbraw/zinc/81/52/42/545815242.db2.gz YFAQXAUUILJDMW-CQSZACIVSA-N 2 2 279.388 0.465 20 0 CCADLP c1ncn(CC[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)n1 ZINC000685412807 545815247 /nfs/dbraw/zinc/81/52/47/545815247.db2.gz YFAQXAUUILJDMW-CQSZACIVSA-N 2 2 279.388 0.465 20 0 CCADLP O=S1(=O)CCC[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000530225016 285575578 /nfs/dbraw/zinc/57/55/78/285575578.db2.gz WIIDOMSDRIVVOO-WDEREUQCSA-N 2 2 258.387 0.438 20 0 CCADLP COCCc1noc(CC2CC[NH+](CC[NH3+])CC2)n1 ZINC000530232383 285578842 /nfs/dbraw/zinc/57/88/42/285578842.db2.gz ZKBZKSJHKHLLNJ-UHFFFAOYSA-N 2 2 268.361 0.472 20 0 CCADLP O=C1NCC[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000658055586 413098565 /nfs/dbraw/zinc/09/85/65/413098565.db2.gz QCENYPRRVNYRQY-OLZOCXBDSA-N 2 2 267.373 0.108 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+](CCO)CCc1ccccc1)C1CC1 ZINC000685564315 545833864 /nfs/dbraw/zinc/83/38/64/545833864.db2.gz FGZQDBKRIVEAKZ-QGZVFWFLSA-N 2 2 292.423 0.979 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+](CCO)CCc1ccccc1)C1CC1 ZINC000685564315 545833869 /nfs/dbraw/zinc/83/38/69/545833869.db2.gz FGZQDBKRIVEAKZ-QGZVFWFLSA-N 2 2 292.423 0.979 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+](CCO)CCc1ccccc1)C1CC1 ZINC000685564315 545833872 /nfs/dbraw/zinc/83/38/72/545833872.db2.gz FGZQDBKRIVEAKZ-QGZVFWFLSA-N 2 2 292.423 0.979 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+](CCO)CCc1ccccc1)C1CC1 ZINC000685564315 545833877 /nfs/dbraw/zinc/83/38/77/545833877.db2.gz FGZQDBKRIVEAKZ-QGZVFWFLSA-N 2 2 292.423 0.979 20 0 CCADLP COc1ccc(C[N@H+](C)C[C@H](O)C[NH+](C)C2CC2)cn1 ZINC000685569172 545837032 /nfs/dbraw/zinc/83/70/32/545837032.db2.gz YQEGLZHBGDVORJ-AWEZNQCLSA-N 2 2 279.384 0.977 20 0 CCADLP COc1ccc(C[N@@H+](C)C[C@H](O)C[NH+](C)C2CC2)cn1 ZINC000685569172 545837038 /nfs/dbraw/zinc/83/70/38/545837038.db2.gz YQEGLZHBGDVORJ-AWEZNQCLSA-N 2 2 279.384 0.977 20 0 CCADLP COc1ccc(C[NH+](C)C[C@H](O)C[N@H+](C)C2CC2)cn1 ZINC000685569172 545837044 /nfs/dbraw/zinc/83/70/44/545837044.db2.gz YQEGLZHBGDVORJ-AWEZNQCLSA-N 2 2 279.384 0.977 20 0 CCADLP COc1ccc(C[NH+](C)C[C@H](O)C[N@@H+](C)C2CC2)cn1 ZINC000685569172 545837052 /nfs/dbraw/zinc/83/70/52/545837052.db2.gz YQEGLZHBGDVORJ-AWEZNQCLSA-N 2 2 279.384 0.977 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)C1 ZINC000356998319 144049663 /nfs/dbraw/zinc/04/96/63/144049663.db2.gz NZSUUXRPKFWQEA-NEPJUHHUSA-N 2 2 280.372 0.944 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)C1 ZINC000356998319 144049664 /nfs/dbraw/zinc/04/96/64/144049664.db2.gz NZSUUXRPKFWQEA-NEPJUHHUSA-N 2 2 280.372 0.944 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357088864 144059061 /nfs/dbraw/zinc/05/90/61/144059061.db2.gz TXPNINJGNSMLSF-XQQFMLRXSA-N 2 2 296.415 0.398 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357088864 144059063 /nfs/dbraw/zinc/05/90/63/144059063.db2.gz TXPNINJGNSMLSF-XQQFMLRXSA-N 2 2 296.415 0.398 20 0 CCADLP Cc1cc(C[NH2+]CCCN2CC[NH+](C)CC2)no1 ZINC000357188853 144068205 /nfs/dbraw/zinc/06/82/05/144068205.db2.gz NHFIIULBIXXBER-UHFFFAOYSA-N 2 2 252.362 0.710 20 0 CCADLP CC(C)CCNC(=O)[C@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357652333 144109249 /nfs/dbraw/zinc/10/92/49/144109249.db2.gz VHXSBBYKRVVMDC-AWEZNQCLSA-N 2 2 299.459 0.926 20 0 CCADLP CC(C)CCNC(=O)[C@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357652333 144109250 /nfs/dbraw/zinc/10/92/50/144109250.db2.gz VHXSBBYKRVVMDC-AWEZNQCLSA-N 2 2 299.459 0.926 20 0 CCADLP C[N@H+](C[C@@H](O)COC(C)(C)C)C1CC[NH+](CCO)CC1 ZINC000357724951 144116492 /nfs/dbraw/zinc/11/64/92/144116492.db2.gz SWSIXJBLHMVWEB-CQSZACIVSA-N 2 2 288.432 0.551 20 0 CCADLP C[N@@H+](C[C@@H](O)COC(C)(C)C)C1CC[NH+](CCO)CC1 ZINC000357724951 144116494 /nfs/dbraw/zinc/11/64/94/144116494.db2.gz SWSIXJBLHMVWEB-CQSZACIVSA-N 2 2 288.432 0.551 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000358537355 144160087 /nfs/dbraw/zinc/16/00/87/144160087.db2.gz ZVAVPLLGZWBGLS-RYUDHWBXSA-N 2 2 279.388 0.869 20 0 CCADLP C[C@@H]1C[C@H](C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CC[NH2+]1 ZINC000358701796 144173957 /nfs/dbraw/zinc/17/39/57/144173957.db2.gz YSCDRTFALANXGF-CHWSQXEVSA-N 2 2 291.399 0.442 20 0 CCADLP [NH3+]C[C@H](C(=O)NCCc1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000358876999 144184701 /nfs/dbraw/zinc/18/47/01/144184701.db2.gz COEGLBUPZJUXRK-LBPRGKRZSA-N 2 2 276.315 0.950 20 0 CCADLP CC[C@@H](C)[C@@H](C[NH2+]CC(=O)N1CC[NH+](C)CC1)OC ZINC000381168787 397484662 /nfs/dbraw/zinc/48/46/62/397484662.db2.gz OXLYAEMLGANCBU-CHWSQXEVSA-N 2 2 271.405 0.411 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(CC(N)=O)CC1 ZINC000382449771 397490736 /nfs/dbraw/zinc/49/07/36/397490736.db2.gz SYIXTUFPLSJHSA-CYBMUJFWSA-N 2 2 271.405 0.275 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CC(N)=O)CC1 ZINC000382449771 397490740 /nfs/dbraw/zinc/49/07/40/397490740.db2.gz SYIXTUFPLSJHSA-CYBMUJFWSA-N 2 2 271.405 0.275 20 0 CCADLP Cc1nnsc1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000384257115 397495550 /nfs/dbraw/zinc/49/55/50/397495550.db2.gz OMVMKAXNMZBFEN-JTQLQIEISA-N 2 2 256.375 0.393 20 0 CCADLP Cc1nnsc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000384257116 397495790 /nfs/dbraw/zinc/49/57/90/397495790.db2.gz OMVMKAXNMZBFEN-SNVBAGLBSA-N 2 2 256.375 0.393 20 0 CCADLP C[NH+](C)C1CN(C(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000371726671 144342151 /nfs/dbraw/zinc/34/21/51/144342151.db2.gz ICVTXHJEBSPQFR-UHFFFAOYSA-N 2 2 267.373 0.014 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]2CCC[C@H]21 ZINC000394124128 397516219 /nfs/dbraw/zinc/51/62/19/397516219.db2.gz IOWOBODOIOIEBI-HZSPNIEDSA-N 2 2 256.390 0.800 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]2CCC[C@H]21 ZINC000394124128 397516221 /nfs/dbraw/zinc/51/62/21/397516221.db2.gz IOWOBODOIOIEBI-HZSPNIEDSA-N 2 2 256.390 0.800 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000394124128 397516227 /nfs/dbraw/zinc/51/62/27/397516227.db2.gz IOWOBODOIOIEBI-HZSPNIEDSA-N 2 2 256.390 0.800 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000394124128 397516231 /nfs/dbraw/zinc/51/62/31/397516231.db2.gz IOWOBODOIOIEBI-HZSPNIEDSA-N 2 2 256.390 0.800 20 0 CCADLP CC(C)(CNC(=O)[C@H]1C[C@]12CC[NH2+]C2)[NH+]1CCOCC1 ZINC000372423141 144366831 /nfs/dbraw/zinc/36/68/31/144366831.db2.gz VVRJJNLOMZMVIZ-DOMZBBRYSA-N 2 2 281.400 0.213 20 0 CCADLP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000372746587 144379833 /nfs/dbraw/zinc/37/98/33/144379833.db2.gz CLXIXSOBGAPHRD-QWHCGFSZSA-N 2 2 276.384 0.904 20 0 CCADLP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000372746587 144379835 /nfs/dbraw/zinc/37/98/35/144379835.db2.gz CLXIXSOBGAPHRD-QWHCGFSZSA-N 2 2 276.384 0.904 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000372955251 144387243 /nfs/dbraw/zinc/38/72/43/144387243.db2.gz XKFUOJQGNMXULV-AWEZNQCLSA-N 2 2 291.399 0.122 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000372955251 144387245 /nfs/dbraw/zinc/38/72/45/144387245.db2.gz XKFUOJQGNMXULV-AWEZNQCLSA-N 2 2 291.399 0.122 20 0 CCADLP Cc1nc(NCCC[N@H+]2CCCC[C@@H]2C)nc(N)[nH+]1 ZINC000388874059 397507292 /nfs/dbraw/zinc/50/72/92/397507292.db2.gz IAIQDTMJGLABIQ-JTQLQIEISA-N 2 2 264.377 0.691 20 0 CCADLP Cc1nc(NCCC[N@@H+]2CCCC[C@@H]2C)nc(N)[nH+]1 ZINC000388874059 397507297 /nfs/dbraw/zinc/50/72/97/397507297.db2.gz IAIQDTMJGLABIQ-JTQLQIEISA-N 2 2 264.377 0.691 20 0 CCADLP Cc1nc(N)nc(NCCC[N@H+]2CCCC[C@@H]2C)[nH+]1 ZINC000388874059 397507298 /nfs/dbraw/zinc/50/72/98/397507298.db2.gz IAIQDTMJGLABIQ-JTQLQIEISA-N 2 2 264.377 0.691 20 0 CCADLP Cc1nc(N)nc(NCCC[N@@H+]2CCCC[C@@H]2C)[nH+]1 ZINC000388874059 397507305 /nfs/dbraw/zinc/50/73/05/397507305.db2.gz IAIQDTMJGLABIQ-JTQLQIEISA-N 2 2 264.377 0.691 20 0 CCADLP Cn1cc[nH+]c1[C@@H](NC(=O)NC[C@@H]1COCC[NH2+]1)C1CC1 ZINC000529330707 397572888 /nfs/dbraw/zinc/57/28/88/397572888.db2.gz OPMOAGLFVWOFAJ-NEPJUHHUSA-N 2 2 293.371 0.159 20 0 CCADLP CC(C)OC1CC([N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000649685132 397654892 /nfs/dbraw/zinc/65/48/92/397654892.db2.gz PPLLTPYLSSDCCF-UHFFFAOYSA-N 2 2 283.416 0.648 20 0 CCADLP CC(C)OC1CC([N@H+]2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000649685132 397654893 /nfs/dbraw/zinc/65/48/93/397654893.db2.gz PPLLTPYLSSDCCF-UHFFFAOYSA-N 2 2 283.416 0.648 20 0 CCADLP Cc1ccnc(NC(=O)C[N@H+](C)C[C@H]2CC[NH2+]C2)c1 ZINC000649412067 397607276 /nfs/dbraw/zinc/60/72/76/397607276.db2.gz HHAKWBPWFDKUCL-LBPRGKRZSA-N 2 2 262.357 0.870 20 0 CCADLP Cc1ccnc(NC(=O)C[N@@H+](C)C[C@H]2CC[NH2+]C2)c1 ZINC000649412067 397607278 /nfs/dbraw/zinc/60/72/78/397607278.db2.gz HHAKWBPWFDKUCL-LBPRGKRZSA-N 2 2 262.357 0.870 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(C)([NH3+])CC2)CC1 ZINC000649416037 397609296 /nfs/dbraw/zinc/60/92/96/397609296.db2.gz JCDDMRUDEOLFNG-CYBMUJFWSA-N 3 2 282.432 0.352 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)Nc2ccncc2)CC[C@@H]1[NH3+] ZINC000649416973 397609777 /nfs/dbraw/zinc/60/97/77/397609777.db2.gz SNRFNVORWBPJQK-YPMHNXCESA-N 2 2 262.357 0.501 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)Nc2ccncc2)CC[C@@H]1[NH3+] ZINC000649416973 397609781 /nfs/dbraw/zinc/60/97/81/397609781.db2.gz SNRFNVORWBPJQK-YPMHNXCESA-N 2 2 262.357 0.501 20 0 CCADLP Cn1ncnc1C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000649420426 397610256 /nfs/dbraw/zinc/61/02/56/397610256.db2.gz NDHFBVSYSWQNEQ-JSGCOSHPSA-N 2 2 279.388 0.533 20 0 CCADLP CC(C)(C(=O)N1CC[N@H+](CCO)C(C)(C)C1)c1c[nH+]c[nH]1 ZINC000649771113 397667522 /nfs/dbraw/zinc/66/75/22/397667522.db2.gz XCNTULNCJLVKSJ-UHFFFAOYSA-N 2 2 294.399 0.602 20 0 CCADLP CC(C)(C(=O)N1CC[N@@H+](CCO)C(C)(C)C1)c1c[nH+]c[nH]1 ZINC000649771113 397667523 /nfs/dbraw/zinc/66/75/23/397667523.db2.gz XCNTULNCJLVKSJ-UHFFFAOYSA-N 2 2 294.399 0.602 20 0 CCADLP COCC[N@H+](C)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651234986 397854954 /nfs/dbraw/zinc/85/49/54/397854954.db2.gz BOWQDJHGNNJDIN-UHFFFAOYSA-N 2 2 294.399 0.456 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651234986 397854959 /nfs/dbraw/zinc/85/49/59/397854959.db2.gz BOWQDJHGNNJDIN-UHFFFAOYSA-N 2 2 294.399 0.456 20 0 CCADLP CCOCCNC(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435624569 286093311 /nfs/dbraw/zinc/09/33/11/286093311.db2.gz XWXRIQQNKURVKP-GFCCVEGCSA-N 2 2 257.378 0.213 20 0 CCADLP CCOCCNC(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435624569 286093312 /nfs/dbraw/zinc/09/33/12/286093312.db2.gz XWXRIQQNKURVKP-GFCCVEGCSA-N 2 2 257.378 0.213 20 0 CCADLP CO[C@](C)([C@@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000411943373 286149074 /nfs/dbraw/zinc/14/90/74/286149074.db2.gz IZYVCHPKQFKGMK-IUODEOHRSA-N 2 2 283.416 0.554 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2CC[NH+](C)C3)C1 ZINC000552143696 286154908 /nfs/dbraw/zinc/15/49/08/286154908.db2.gz DOUUYAQDARPHCI-XQQFMLRXSA-N 2 2 267.373 0.012 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2CC[NH+](C)C3)C1 ZINC000552143696 286154911 /nfs/dbraw/zinc/15/49/11/286154911.db2.gz DOUUYAQDARPHCI-XQQFMLRXSA-N 2 2 267.373 0.012 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)C1 ZINC000552143696 286154913 /nfs/dbraw/zinc/15/49/13/286154913.db2.gz DOUUYAQDARPHCI-XQQFMLRXSA-N 2 2 267.373 0.012 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)C1 ZINC000552143696 286154914 /nfs/dbraw/zinc/15/49/14/286154914.db2.gz DOUUYAQDARPHCI-XQQFMLRXSA-N 2 2 267.373 0.012 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000553092162 286180414 /nfs/dbraw/zinc/18/04/14/286180414.db2.gz CCRIQUXFOBDBDP-KGLIPLIRSA-N 2 2 282.432 0.079 20 0 CCADLP CCN1CC[NH+](CCCNC(=O)[C@@H](C)[NH+]2CC(C)C2)CC1 ZINC000552981254 286177164 /nfs/dbraw/zinc/17/71/64/286177164.db2.gz IWELCVRHDNKAPN-OAHLLOKOSA-N 2 2 296.459 0.470 20 0 CCADLP Cc1ccc(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])c(C)[nH+]1 ZINC000659093161 413280164 /nfs/dbraw/zinc/28/01/64/413280164.db2.gz DZOMATMIKYXIKV-UHFFFAOYSA-N 2 2 278.356 0.833 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339437370 292361537 /nfs/dbraw/zinc/36/15/37/292361537.db2.gz PBWGOSXJJPILSG-HOCLYGCPSA-N 2 2 297.443 0.945 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339437370 292361538 /nfs/dbraw/zinc/36/15/38/292361538.db2.gz PBWGOSXJJPILSG-HOCLYGCPSA-N 2 2 297.443 0.945 20 0 CCADLP COCCCNC(=O)[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339437370 292361539 /nfs/dbraw/zinc/36/15/39/292361539.db2.gz PBWGOSXJJPILSG-HOCLYGCPSA-N 2 2 297.443 0.945 20 0 CCADLP COCCCNC(=O)[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339437370 292361540 /nfs/dbraw/zinc/36/15/40/292361540.db2.gz PBWGOSXJJPILSG-HOCLYGCPSA-N 2 2 297.443 0.945 20 0 CCADLP CC(C)OC[C@H]([NH3+])C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000659286342 413375378 /nfs/dbraw/zinc/37/53/78/413375378.db2.gz YWKILCWSNMDDGG-NSHDSACASA-N 2 2 266.345 0.838 20 0 CCADLP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000423147183 298391517 /nfs/dbraw/zinc/39/15/17/298391517.db2.gz RICVJSOIMZWWFU-ZIAGYGMSSA-N 3 2 257.422 0.940 20 0 CCADLP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000423147183 298391521 /nfs/dbraw/zinc/39/15/21/298391521.db2.gz RICVJSOIMZWWFU-ZIAGYGMSSA-N 3 2 257.422 0.940 20 0 CCADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)[C@@H]1CCOC1 ZINC000153148103 287035104 /nfs/dbraw/zinc/03/51/04/287035104.db2.gz HWKYUVUBGJSEOV-BFHYXJOUSA-N 2 2 256.390 0.969 20 0 CCADLP C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC[NH3+] ZINC000263052493 287140899 /nfs/dbraw/zinc/14/08/99/287140899.db2.gz UPVNAYBBSBRPKA-VIFPVBQESA-N 2 2 257.359 0.286 20 0 CCADLP C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC[NH3+] ZINC000263052493 287140901 /nfs/dbraw/zinc/14/09/01/287140901.db2.gz UPVNAYBBSBRPKA-VIFPVBQESA-N 2 2 257.359 0.286 20 0 CCADLP C[C@H](CNC(=O)[C@@H](C[NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000178701256 298747864 /nfs/dbraw/zinc/74/78/64/298747864.db2.gz QEXTWJQFLKAYCE-HIFRSBDPSA-N 2 2 291.395 0.566 20 0 CCADLP C[N@H+](CCC[NH3+])CC(=O)N1CCc2sccc2C1 ZINC000123288861 411711208 /nfs/dbraw/zinc/71/12/08/411711208.db2.gz ZHGCDLCAFSAQMT-UHFFFAOYSA-N 2 2 267.398 0.913 20 0 CCADLP C[N@@H+](CCC[NH3+])CC(=O)N1CCc2sccc2C1 ZINC000123288861 411711214 /nfs/dbraw/zinc/71/12/14/411711214.db2.gz ZHGCDLCAFSAQMT-UHFFFAOYSA-N 2 2 267.398 0.913 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCOC(C)(C)C2)CC1 ZINC000215589832 411734970 /nfs/dbraw/zinc/73/49/70/411734970.db2.gz VFRPTVPOPOCCBK-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCCC[NH2+]1 ZINC000400186356 411778276 /nfs/dbraw/zinc/77/82/76/411778276.db2.gz RNVQQFMAUGKJTI-SRVKXCTJSA-N 2 2 275.418 0.141 20 0 CCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405885617 411804174 /nfs/dbraw/zinc/80/41/74/411804174.db2.gz VIQPROBQNLXJFX-QJPTWQEYSA-N 2 2 257.378 0.197 20 0 CCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405885617 411804178 /nfs/dbraw/zinc/80/41/78/411804178.db2.gz VIQPROBQNLXJFX-QJPTWQEYSA-N 2 2 257.378 0.197 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)[C@H](C)O ZINC000521995767 411825840 /nfs/dbraw/zinc/82/58/40/411825840.db2.gz QSFZFITZFXICCJ-FRRDWIJNSA-N 2 2 271.405 0.288 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)[C@H](C)O ZINC000521995767 411825844 /nfs/dbraw/zinc/82/58/44/411825844.db2.gz QSFZFITZFXICCJ-FRRDWIJNSA-N 2 2 271.405 0.288 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cnnn2-c2ccccc2)C1 ZINC000651762542 411931410 /nfs/dbraw/zinc/93/14/10/411931410.db2.gz AZXGTRCEYGVWFN-OAHLLOKOSA-N 2 2 287.367 0.424 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cnnn2-c2ccccc2)C1 ZINC000651762542 411931413 /nfs/dbraw/zinc/93/14/13/411931413.db2.gz AZXGTRCEYGVWFN-OAHLLOKOSA-N 2 2 287.367 0.424 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)N1CC[NH+](C2CCOCC2)CC1 ZINC000284524561 196076226 /nfs/dbraw/zinc/07/62/26/196076226.db2.gz WJMADEJJMLNQIX-OWOJBTEDSA-N 2 2 290.367 0.746 20 0 CCADLP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)CS(C)(=O)=O ZINC000651865760 411947775 /nfs/dbraw/zinc/94/77/75/411947775.db2.gz GXMCVNKKZJMMKA-GFCCVEGCSA-N 2 2 264.435 0.987 20 0 CCADLP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)CS(C)(=O)=O ZINC000651865760 411947780 /nfs/dbraw/zinc/94/77/80/411947780.db2.gz GXMCVNKKZJMMKA-GFCCVEGCSA-N 2 2 264.435 0.987 20 0 CCADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1cc2n(n1)CCC2 ZINC000652335987 412029082 /nfs/dbraw/zinc/02/90/82/412029082.db2.gz XHFCLNARCPRMFK-UHFFFAOYSA-N 2 2 263.389 0.166 20 0 CCADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cc2n(n1)CCC2 ZINC000652335987 412029089 /nfs/dbraw/zinc/02/90/89/412029089.db2.gz XHFCLNARCPRMFK-UHFFFAOYSA-N 2 2 263.389 0.166 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCCN1CCCCCC1=O ZINC000653059823 412205212 /nfs/dbraw/zinc/20/52/12/412205212.db2.gz OYQOPCYUKUSDGK-CYBMUJFWSA-N 2 2 298.431 0.174 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C[C@@H](C)O1 ZINC000653079040 412210701 /nfs/dbraw/zinc/21/07/01/412210701.db2.gz REDIMBMONTXHSD-IJLUTSLNSA-N 2 2 257.378 0.291 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)Oc1ccccc1 ZINC000653074045 412210780 /nfs/dbraw/zinc/21/07/80/412210780.db2.gz XLRABTZPLNPZIC-JSGCOSHPSA-N 2 2 279.384 0.849 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCOCc1ccccc1 ZINC000653084678 412212896 /nfs/dbraw/zinc/21/28/96/412212896.db2.gz NZKVOPDGHZZPNI-AWEZNQCLSA-N 2 2 279.384 0.598 20 0 CCADLP C[C@@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)Oc1ccccc1F ZINC000653096086 412217680 /nfs/dbraw/zinc/21/76/80/412217680.db2.gz CVWYFKSNHAQPPW-WCQYABFASA-N 2 2 297.374 0.988 20 0 CCADLP CC(C)Cn1cc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cn1 ZINC000653098474 412217732 /nfs/dbraw/zinc/21/77/32/412217732.db2.gz OKUXUMIFEPTUSY-LBPRGKRZSA-N 2 2 267.377 0.757 20 0 CCADLP CO[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1(C)C ZINC000653101669 412218253 /nfs/dbraw/zinc/21/82/53/412218253.db2.gz CDBKWRLFCGAINX-GMTAPVOTSA-N 2 2 257.378 0.195 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C1CCCCC1 ZINC000653101945 412218885 /nfs/dbraw/zinc/21/88/85/412218885.db2.gz KNTRDELLFRZMKQ-OLZOCXBDSA-N 2 2 298.431 0.206 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1cn2ccccc2n1 ZINC000653105659 412220282 /nfs/dbraw/zinc/22/02/82/412220282.db2.gz FHRYQFUGNDKUCJ-GFCCVEGCSA-N 2 2 275.356 0.230 20 0 CCADLP CC(C)(CNC(=O)[C@H]1CCC[NH2+]CC1)[NH+]1CCOCC1 ZINC000653105149 412220494 /nfs/dbraw/zinc/22/04/94/412220494.db2.gz HSXZMQNJNLYGDG-ZDUSSCGKSA-N 2 2 283.416 0.603 20 0 CCADLP CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CC[NH2+]CC1 ZINC000653104691 412220562 /nfs/dbraw/zinc/22/05/62/412220562.db2.gz QERFTNGLWKBELO-ZDUSSCGKSA-N 3 2 270.421 0.256 20 0 CCADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653112697 412224849 /nfs/dbraw/zinc/22/48/49/412224849.db2.gz HOMDJEKMKRUBFR-ZIAGYGMSSA-N 3 2 298.475 0.892 20 0 CCADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653112697 412224853 /nfs/dbraw/zinc/22/48/53/412224853.db2.gz HOMDJEKMKRUBFR-ZIAGYGMSSA-N 3 2 298.475 0.892 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@H]1CCC[NH2+]CC1)[NH+]1CCOCC1 ZINC000653117881 412228246 /nfs/dbraw/zinc/22/82/46/412228246.db2.gz YCKBVHKTKNMTAS-MJBXVCDLSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653125111 412231876 /nfs/dbraw/zinc/23/18/76/412231876.db2.gz SWJYQPVMCSEBHZ-KGLIPLIRSA-N 2 2 282.432 0.128 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653125113 412231999 /nfs/dbraw/zinc/23/19/99/412231999.db2.gz SWJYQPVMCSEBHZ-ZIAGYGMSSA-N 2 2 282.432 0.128 20 0 CCADLP COCC[NH2+]CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653127600 412234606 /nfs/dbraw/zinc/23/46/06/412234606.db2.gz NIFFZVXNRBTLDW-UHFFFAOYSA-N 2 2 280.372 0.114 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000653136745 412237479 /nfs/dbraw/zinc/23/74/79/412237479.db2.gz CBZFMGYZTJPCMN-TXEJJXNPSA-N 2 2 274.368 0.440 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000653141333 412239942 /nfs/dbraw/zinc/23/99/42/412239942.db2.gz CDUFJUFUXCYSRP-AVGNSLFASA-N 3 2 270.421 0.147 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CCO1 ZINC000653150607 412244167 /nfs/dbraw/zinc/24/41/67/412244167.db2.gz HAKIAUCOTYBUFD-RYUDHWBXSA-N 2 2 257.378 0.149 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCC[C@H]1CCCCO1 ZINC000653154628 412245707 /nfs/dbraw/zinc/24/57/07/412245707.db2.gz XELUVKKZJARWKT-CHWSQXEVSA-N 2 2 271.405 0.731 20 0 CCADLP Cn1c(NC(=O)[C@H]([NH3+])CC[NH+](C)C)nc2cccnc21 ZINC000653160071 412246399 /nfs/dbraw/zinc/24/63/99/412246399.db2.gz XCGQVMBHGCCMJP-SECBINFHSA-N 2 2 276.344 0.186 20 0 CCADLP CC[N@H+](C[C@H](O)C[NH+](C)CCOC)C[C@H]1CCOC1 ZINC000653497976 412308258 /nfs/dbraw/zinc/30/82/58/412308258.db2.gz BQPUZODCTGAACH-ZIAGYGMSSA-N 2 2 274.405 0.284 20 0 CCADLP CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C[C@H]1CCOC1 ZINC000653497976 412308260 /nfs/dbraw/zinc/30/82/60/412308260.db2.gz BQPUZODCTGAACH-ZIAGYGMSSA-N 2 2 274.405 0.284 20 0 CCADLP CC[NH+](C[C@H](O)C[N@H+](C)CCOC)C[C@H]1CCOC1 ZINC000653497976 412308262 /nfs/dbraw/zinc/30/82/62/412308262.db2.gz BQPUZODCTGAACH-ZIAGYGMSSA-N 2 2 274.405 0.284 20 0 CCADLP CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C[C@H]1CCOC1 ZINC000653497976 412308263 /nfs/dbraw/zinc/30/82/63/412308263.db2.gz BQPUZODCTGAACH-ZIAGYGMSSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000653499303 412308398 /nfs/dbraw/zinc/30/83/98/412308398.db2.gz FSBPQYSIOWVINC-KBPBESRZSA-N 2 2 296.415 0.528 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000653499303 412308400 /nfs/dbraw/zinc/30/84/00/412308400.db2.gz FSBPQYSIOWVINC-KBPBESRZSA-N 2 2 296.415 0.528 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000653499303 412308402 /nfs/dbraw/zinc/30/84/02/412308402.db2.gz FSBPQYSIOWVINC-KBPBESRZSA-N 2 2 296.415 0.528 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000653499303 412308406 /nfs/dbraw/zinc/30/84/06/412308406.db2.gz FSBPQYSIOWVINC-KBPBESRZSA-N 2 2 296.415 0.528 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ncnn2CCF)C1 ZINC000653590539 412321850 /nfs/dbraw/zinc/32/18/50/412321850.db2.gz IBFRXJCGYMDFIX-LLVKDONJSA-N 2 2 278.335 0.971 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ncnn2CCF)C1 ZINC000653590539 412321853 /nfs/dbraw/zinc/32/18/53/412321853.db2.gz IBFRXJCGYMDFIX-LLVKDONJSA-N 2 2 278.335 0.971 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](OC)CC1 ZINC000653612863 412324581 /nfs/dbraw/zinc/32/45/81/412324581.db2.gz JXBRFESBJXSKKS-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](OC)CC1 ZINC000653612863 412324586 /nfs/dbraw/zinc/32/45/86/412324586.db2.gz JXBRFESBJXSKKS-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](OC)CC1 ZINC000653612863 412324591 /nfs/dbraw/zinc/32/45/91/412324591.db2.gz JXBRFESBJXSKKS-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](OC)CC1 ZINC000653612863 412324597 /nfs/dbraw/zinc/32/45/97/412324597.db2.gz JXBRFESBJXSKKS-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C(N)=O)[C@@H](C)c1ccccc1 ZINC000653694914 412337471 /nfs/dbraw/zinc/33/74/71/412337471.db2.gz VWGCVPDYQCNCTE-CFVMTHIKSA-N 2 2 293.411 0.546 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C(N)=O)[C@@H](C)c1ccccc1 ZINC000653694914 412337473 /nfs/dbraw/zinc/33/74/73/412337473.db2.gz VWGCVPDYQCNCTE-CFVMTHIKSA-N 2 2 293.411 0.546 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2cccnc2)C1 ZINC000653775697 412344908 /nfs/dbraw/zinc/34/49/08/412344908.db2.gz FIIQIQTUEUXVFD-JKSUJKDBSA-N 2 2 293.411 0.810 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2cccnc2)C1 ZINC000653775697 412344911 /nfs/dbraw/zinc/34/49/11/412344911.db2.gz FIIQIQTUEUXVFD-JKSUJKDBSA-N 2 2 293.411 0.810 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000653775697 412344913 /nfs/dbraw/zinc/34/49/13/412344913.db2.gz FIIQIQTUEUXVFD-JKSUJKDBSA-N 2 2 293.411 0.810 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000653775697 412344915 /nfs/dbraw/zinc/34/49/15/412344915.db2.gz FIIQIQTUEUXVFD-JKSUJKDBSA-N 2 2 293.411 0.810 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000653347307 412292833 /nfs/dbraw/zinc/29/28/33/412292833.db2.gz ZVHBHSODSTXYAO-NWDGAFQWSA-N 2 2 297.424 0.927 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000654406939 412394390 /nfs/dbraw/zinc/39/43/90/412394390.db2.gz FOAYWQCNYONMQA-ZDUSSCGKSA-N 2 2 293.415 0.294 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000654406939 412394393 /nfs/dbraw/zinc/39/43/93/412394393.db2.gz FOAYWQCNYONMQA-ZDUSSCGKSA-N 2 2 293.415 0.294 20 0 CCADLP CC[C@@](C)(CO)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000654857334 412445283 /nfs/dbraw/zinc/44/52/83/412445283.db2.gz NANLWQALEZFTKQ-HNNXBMFYSA-N 2 2 285.432 0.537 20 0 CCADLP C[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000654928564 412450976 /nfs/dbraw/zinc/45/09/76/412450976.db2.gz APWWIUUTWUVANL-NEPJUHHUSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000654928564 412450978 /nfs/dbraw/zinc/45/09/78/412450978.db2.gz APWWIUUTWUVANL-NEPJUHHUSA-N 2 2 269.389 0.164 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659449724 413511305 /nfs/dbraw/zinc/51/13/05/413511305.db2.gz ORDRZLRNVLBCGV-RKDXNWHRSA-N 2 2 255.297 0.001 20 0 CCADLP O=C(NCC12CC(C1)C[NH2+]2)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000659484402 413539191 /nfs/dbraw/zinc/53/91/91/413539191.db2.gz TXADJIITORJNNY-IQLKVPPVSA-N 2 2 275.356 0.249 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000659493645 413546226 /nfs/dbraw/zinc/54/62/26/413546226.db2.gz JKIGRABTCZQXJT-BDAKNGLRSA-N 2 2 251.334 0.174 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000659493645 413546236 /nfs/dbraw/zinc/54/62/36/413546236.db2.gz JKIGRABTCZQXJT-BDAKNGLRSA-N 2 2 251.334 0.174 20 0 CCADLP O=C(Nc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CCC[NH2+]1 ZINC000035230839 172070729 /nfs/dbraw/zinc/07/07/29/172070729.db2.gz QQGFGZWLNAQHHG-NSHDSACASA-N 2 2 257.297 0.958 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000659518706 413588030 /nfs/dbraw/zinc/58/80/30/413588030.db2.gz ZXGNXLKAELQQPN-NXEZZACHSA-N 2 2 253.350 0.764 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659515241 413578074 /nfs/dbraw/zinc/57/80/74/413578074.db2.gz BGILSQUTKRRMET-OLZOCXBDSA-N 2 2 284.404 0.086 20 0 CCADLP [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000659553490 413642675 /nfs/dbraw/zinc/64/26/75/413642675.db2.gz IMLIJBGPLGRDKC-MCIONIFRSA-N 2 2 296.415 0.230 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)NCC1([NH3+])CCCC1 ZINC000659573933 413667316 /nfs/dbraw/zinc/66/73/16/413667316.db2.gz VIBJXSRWMQPINR-UHFFFAOYSA-N 2 2 265.361 0.833 20 0 CCADLP C[C@H](NC(=O)NCC(F)(F)C[NH3+])c1[nH+]ccn1C ZINC000659533030 413616644 /nfs/dbraw/zinc/61/66/44/413616644.db2.gz XCPHSVFKTPJFLY-ZETCQYMHSA-N 2 2 261.276 0.374 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)[C@H](C[NH3+])C1 ZINC000659597745 413679428 /nfs/dbraw/zinc/67/94/28/413679428.db2.gz RMLOCKNVBDYJDW-RQJABVFESA-N 2 2 280.416 0.707 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)[C@H](C[NH3+])C1 ZINC000659597745 413679432 /nfs/dbraw/zinc/67/94/32/413679432.db2.gz RMLOCKNVBDYJDW-RQJABVFESA-N 2 2 280.416 0.707 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H](C)c2[nH+]ccn2C)CCO1 ZINC000659626336 413724309 /nfs/dbraw/zinc/72/43/09/413724309.db2.gz APKFUTOYQJQJHZ-DCAQKATOSA-N 2 2 281.360 0.239 20 0 CCADLP C[C@@H](NC(=O)N1CC[NH2+][C@H](C)C1)c1[nH+]ccn1C ZINC000659628532 413725077 /nfs/dbraw/zinc/72/50/77/413725077.db2.gz QOEUTCWFCAKYMC-NXEZZACHSA-N 2 2 251.334 0.484 20 0 CCADLP CCOCC[NH+]1CCN(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000659887059 413946513 /nfs/dbraw/zinc/94/65/13/413946513.db2.gz HPNGFERIMZCSMI-HOTGVXAUSA-N 2 2 299.459 0.750 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC000659837089 413902792 /nfs/dbraw/zinc/90/27/92/413902792.db2.gz DAZIWLPBCKUFNX-LLVKDONJSA-N 2 2 291.342 0.116 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000659976069 414013435 /nfs/dbraw/zinc/01/34/35/414013435.db2.gz PXYGALBJNFCVND-ZDUSSCGKSA-N 2 2 296.415 0.544 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000659976069 414013443 /nfs/dbraw/zinc/01/34/43/414013443.db2.gz PXYGALBJNFCVND-ZDUSSCGKSA-N 2 2 296.415 0.544 20 0 CCADLP CCN1CC[C@@H]([N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000659955101 413999246 /nfs/dbraw/zinc/99/92/46/413999246.db2.gz IMDORXBECWKQIR-ZIAGYGMSSA-N 2 2 281.400 0.261 20 0 CCADLP CCN1CC[C@@H]([N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000659955101 413999255 /nfs/dbraw/zinc/99/92/55/413999255.db2.gz IMDORXBECWKQIR-ZIAGYGMSSA-N 2 2 281.400 0.261 20 0 CCADLP C[C@@H]1C[N@H+](CCc2cn[nH]n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000660152946 414161361 /nfs/dbraw/zinc/16/13/61/414161361.db2.gz DFXGAACOAOIGSA-UKRRQHHQSA-N 2 2 292.431 0.305 20 0 CCADLP C[C@@H]1C[N@@H+](CCc2cn[nH]n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000660152946 414161366 /nfs/dbraw/zinc/16/13/66/414161366.db2.gz DFXGAACOAOIGSA-UKRRQHHQSA-N 2 2 292.431 0.305 20 0 CCADLP C[C@@H]1C[N@H+](CCc2c[nH]nn2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000660152946 414161370 /nfs/dbraw/zinc/16/13/70/414161370.db2.gz DFXGAACOAOIGSA-UKRRQHHQSA-N 2 2 292.431 0.305 20 0 CCADLP C[C@@H]1C[N@@H+](CCc2c[nH]nn2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000660152946 414161377 /nfs/dbraw/zinc/16/13/77/414161377.db2.gz DFXGAACOAOIGSA-UKRRQHHQSA-N 2 2 292.431 0.305 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N[C@H](C)c1[nH+]ccn1C ZINC000660099155 414112187 /nfs/dbraw/zinc/11/21/87/414112187.db2.gz FGRPGIASCYIFHN-LLVKDONJSA-N 2 2 288.417 0.742 20 0 CCADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cn(C)c[nH+]1 ZINC000660367832 414263739 /nfs/dbraw/zinc/26/37/39/414263739.db2.gz RSPOBHXAAZFJHE-GFCCVEGCSA-N 2 2 266.389 0.697 20 0 CCADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1cn(C)c[nH+]1 ZINC000660367832 414263743 /nfs/dbraw/zinc/26/37/43/414263743.db2.gz RSPOBHXAAZFJHE-GFCCVEGCSA-N 2 2 266.389 0.697 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2CN(C)CC[NH+]2C)C1 ZINC000660640755 414421653 /nfs/dbraw/zinc/42/16/53/414421653.db2.gz UXIFOLXAKIMFPC-ZIAGYGMSSA-N 2 2 297.447 0.016 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2CN(C)CC[NH+]2C)C1 ZINC000660640755 414421658 /nfs/dbraw/zinc/42/16/58/414421658.db2.gz UXIFOLXAKIMFPC-ZIAGYGMSSA-N 2 2 297.447 0.016 20 0 CCADLP CCC[NH+]1CC[C@@H](NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)C1 ZINC000660640755 414421663 /nfs/dbraw/zinc/42/16/63/414421663.db2.gz UXIFOLXAKIMFPC-ZIAGYGMSSA-N 2 2 297.447 0.016 20 0 CCADLP CCC[NH+]1CC[C@@H](NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)C1 ZINC000660640755 414421669 /nfs/dbraw/zinc/42/16/69/414421669.db2.gz UXIFOLXAKIMFPC-ZIAGYGMSSA-N 2 2 297.447 0.016 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660704532 414453924 /nfs/dbraw/zinc/45/39/24/414453924.db2.gz FHMUDPLGKQELFG-LBPRGKRZSA-N 2 2 293.371 0.036 20 0 CCADLP Cc1[nH+]ccn1CCN1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000660824499 414493228 /nfs/dbraw/zinc/49/32/28/414493228.db2.gz OHJSUWCNWSDPGG-CHWSQXEVSA-N 2 2 266.389 0.578 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](n2ccnn2)C1 ZINC000660880499 414520300 /nfs/dbraw/zinc/52/03/00/414520300.db2.gz DPEFOHVAXHUXPA-UONOGXRCSA-N 2 2 281.404 0.616 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](n2ccnn2)C1 ZINC000660880499 414520305 /nfs/dbraw/zinc/52/03/05/414520305.db2.gz DPEFOHVAXHUXPA-UONOGXRCSA-N 2 2 281.404 0.616 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000660880499 414520309 /nfs/dbraw/zinc/52/03/09/414520309.db2.gz DPEFOHVAXHUXPA-UONOGXRCSA-N 2 2 281.404 0.616 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000660880499 414520314 /nfs/dbraw/zinc/52/03/14/414520314.db2.gz DPEFOHVAXHUXPA-UONOGXRCSA-N 2 2 281.404 0.616 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cccc(F)c1 ZINC000038030994 174023784 /nfs/dbraw/zinc/02/37/84/174023784.db2.gz QEYHWXOMKOHNNH-UHFFFAOYSA-N 2 2 265.332 0.689 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cccc(F)c1 ZINC000038030994 174023786 /nfs/dbraw/zinc/02/37/86/174023786.db2.gz QEYHWXOMKOHNNH-UHFFFAOYSA-N 2 2 265.332 0.689 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@](O)(C2CC2)C1 ZINC000661633143 414658747 /nfs/dbraw/zinc/65/87/47/414658747.db2.gz UNJWHMLQFWZNTD-HUUCEWRRSA-N 2 2 286.416 0.162 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@](O)(C2CC2)C1 ZINC000661633143 414658748 /nfs/dbraw/zinc/65/87/48/414658748.db2.gz UNJWHMLQFWZNTD-HUUCEWRRSA-N 2 2 286.416 0.162 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000661633143 414658749 /nfs/dbraw/zinc/65/87/49/414658749.db2.gz UNJWHMLQFWZNTD-HUUCEWRRSA-N 2 2 286.416 0.162 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000661633143 414658750 /nfs/dbraw/zinc/65/87/50/414658750.db2.gz UNJWHMLQFWZNTD-HUUCEWRRSA-N 2 2 286.416 0.162 20 0 CCADLP C[C@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000040430958 174259840 /nfs/dbraw/zinc/25/98/40/174259840.db2.gz KLENBIRQOFXKFZ-NSHDSACASA-N 2 2 263.341 0.805 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H]3COC[C@@]3(C)C2)CC1 ZINC000661700746 414665145 /nfs/dbraw/zinc/66/51/45/414665145.db2.gz KKXLALZEENAFKM-OFQRWUPVSA-N 2 2 295.427 0.507 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@H]3COC[C@@]3(C)C2)CC1 ZINC000661700746 414665148 /nfs/dbraw/zinc/66/51/48/414665148.db2.gz KKXLALZEENAFKM-OFQRWUPVSA-N 2 2 295.427 0.507 20 0 CCADLP Oc1cccc(C[NH+]2CCN(C[C@H]3C[NH2+]CCO3)CC2)c1 ZINC000662260504 414701288 /nfs/dbraw/zinc/70/12/88/414701288.db2.gz NSVRDOUSGNZFRY-MRXNPFEDSA-N 2 2 291.395 0.498 20 0 CCADLP CCOCCN1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662259990 414701397 /nfs/dbraw/zinc/70/13/97/414701397.db2.gz DPFHSJZPPKLQQV-AWEZNQCLSA-N 2 2 283.416 0.162 20 0 CCADLP c1ccc(C[NH+]2CCN(C[C@@H]3C[NH2+]CCO3)CC2)nc1 ZINC000662263526 414702297 /nfs/dbraw/zinc/70/22/97/414702297.db2.gz MSHSJIUDBFAYMN-HNNXBMFYSA-N 2 2 276.384 0.188 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](C[C@H]2C[NH2+]CCO2)C[C@H]1c1ccccc1 ZINC000662272803 414703515 /nfs/dbraw/zinc/70/35/15/414703515.db2.gz QJPLZZAWHBPCIL-OAGGEKHMSA-N 3 2 275.396 0.649 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2C[NH2+]CCO2)C[C@H]1c1ccccc1 ZINC000662272803 414703516 /nfs/dbraw/zinc/70/35/16/414703516.db2.gz QJPLZZAWHBPCIL-OAGGEKHMSA-N 3 2 275.396 0.649 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000662273590 414704262 /nfs/dbraw/zinc/70/42/62/414704262.db2.gz OYDIPPULRRWDDC-KBPBESRZSA-N 3 2 253.390 0.296 20 0 CCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)NCc1ccc(F)cc1 ZINC000662285758 414706361 /nfs/dbraw/zinc/70/63/61/414706361.db2.gz HEGDJQFDJGAOBD-UHFFFAOYSA-N 2 2 295.358 0.146 20 0 CCADLP COc1c(C)c[nH+]c(CNC2(CO)CC[NH2+]CC2)c1C ZINC000662286508 414706526 /nfs/dbraw/zinc/70/65/26/414706526.db2.gz IYHZCZYZLFDJGW-UHFFFAOYSA-N 2 2 279.384 0.911 20 0 CCADLP COc1c(C)cnc(C[NH2+]C2(CO)CC[NH2+]CC2)c1C ZINC000662286508 414706527 /nfs/dbraw/zinc/70/65/27/414706527.db2.gz IYHZCZYZLFDJGW-UHFFFAOYSA-N 2 2 279.384 0.911 20 0 CCADLP CC1(C)CCC(C[N@H+](CC[NH3+])C[C@H](O)CO)CC1 ZINC000662287712 414706586 /nfs/dbraw/zinc/70/65/86/414706586.db2.gz HIFMAZDLOBWCRR-ZDUSSCGKSA-N 2 2 258.406 0.817 20 0 CCADLP CC1(C)CCC(C[N@@H+](CC[NH3+])C[C@H](O)CO)CC1 ZINC000662287712 414706587 /nfs/dbraw/zinc/70/65/87/414706587.db2.gz HIFMAZDLOBWCRR-ZDUSSCGKSA-N 2 2 258.406 0.817 20 0 CCADLP CCN1CC[C@H]([NH+]2CCC([NH2+]CCOC)CC2)C1=O ZINC000662286848 414706898 /nfs/dbraw/zinc/70/68/98/414706898.db2.gz SNYZDVGLVUQKMJ-ZDUSSCGKSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H]1CCCCN1C(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662286381 414706907 /nfs/dbraw/zinc/70/69/07/414706907.db2.gz SYIWKHJJJAERGB-LBPRGKRZSA-N 2 2 269.389 0.092 20 0 CCADLP Cc1ccc(C)c(C[N@H+](CC[NH3+])C[C@@H](O)CO)c1 ZINC000662289231 414706994 /nfs/dbraw/zinc/70/69/94/414706994.db2.gz RPFJSMIHGSCTLR-CQSZACIVSA-N 2 2 252.358 0.417 20 0 CCADLP Cc1ccc(C)c(C[N@@H+](CC[NH3+])C[C@@H](O)CO)c1 ZINC000662289231 414706995 /nfs/dbraw/zinc/70/69/95/414706995.db2.gz RPFJSMIHGSCTLR-CQSZACIVSA-N 2 2 252.358 0.417 20 0 CCADLP [NH3+]CC[N@H+](CCCc1ccc(Cl)cc1)C[C@H](O)CO ZINC000662289749 414707025 /nfs/dbraw/zinc/70/70/25/414707025.db2.gz VQISGZRPDLQKKT-AWEZNQCLSA-N 2 2 286.803 0.887 20 0 CCADLP [NH3+]CC[N@@H+](CCCc1ccc(Cl)cc1)C[C@H](O)CO ZINC000662289749 414707026 /nfs/dbraw/zinc/70/70/26/414707026.db2.gz VQISGZRPDLQKKT-AWEZNQCLSA-N 2 2 286.803 0.887 20 0 CCADLP C[C@@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)[C@@H]1CCC[NH3+] ZINC000662312082 414708730 /nfs/dbraw/zinc/70/87/30/414708730.db2.gz FWTHPAYWYUIWDD-MGPQQGTHSA-N 3 2 255.406 0.814 20 0 CCADLP C[C@@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)[C@@H]1CCC[NH3+] ZINC000662312082 414708731 /nfs/dbraw/zinc/70/87/31/414708731.db2.gz FWTHPAYWYUIWDD-MGPQQGTHSA-N 3 2 255.406 0.814 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320990 414709328 /nfs/dbraw/zinc/70/93/28/414709328.db2.gz YTAWLOUISYXUHH-GXTWGEPZSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320990 414709329 /nfs/dbraw/zinc/70/93/29/414709329.db2.gz YTAWLOUISYXUHH-GXTWGEPZSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@H](C)NC(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662317992 414709419 /nfs/dbraw/zinc/70/94/19/414709419.db2.gz VNEZJPANZQFNRD-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP CC[C@H](C)NC(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662317992 414709420 /nfs/dbraw/zinc/70/94/20/414709420.db2.gz VNEZJPANZQFNRD-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP CCOc1ccc(N2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)nn1 ZINC000662327470 414710360 /nfs/dbraw/zinc/71/03/60/414710360.db2.gz OWWVDEKQOBMKBO-ZDUSSCGKSA-N 2 2 291.399 0.607 20 0 CCADLP NC(=O)c1cccc2c1CC[N@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000662326777 414710416 /nfs/dbraw/zinc/71/04/16/414710416.db2.gz BVBYHCYNGPZTBG-NSHDSACASA-N 2 2 259.353 0.753 20 0 CCADLP NC(=O)c1cccc2c1CC[N@@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000662326777 414710417 /nfs/dbraw/zinc/71/04/17/414710417.db2.gz BVBYHCYNGPZTBG-NSHDSACASA-N 2 2 259.353 0.753 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662335953 414710918 /nfs/dbraw/zinc/71/09/18/414710918.db2.gz BJAGANUIOQISME-OLZOCXBDSA-N 3 2 292.431 0.346 20 0 CCADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662335953 414710919 /nfs/dbraw/zinc/71/09/19/414710919.db2.gz BJAGANUIOQISME-OLZOCXBDSA-N 3 2 292.431 0.346 20 0 CCADLP CCN1CC[C@@H]([NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1=O ZINC000662147781 414693239 /nfs/dbraw/zinc/69/32/39/414693239.db2.gz GEHWSXZMCVXBTG-UONOGXRCSA-N 2 2 281.400 0.138 20 0 CCADLP CCN1CC[C@@H]([NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)C1=O ZINC000662147781 414693240 /nfs/dbraw/zinc/69/32/40/414693240.db2.gz GEHWSXZMCVXBTG-UONOGXRCSA-N 2 2 281.400 0.138 20 0 CCADLP COCCOCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662151059 414693783 /nfs/dbraw/zinc/69/37/83/414693783.db2.gz FHRKJGFXYBVOSU-CQSZACIVSA-N 2 2 272.389 0.180 20 0 CCADLP COCCOCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662151059 414693784 /nfs/dbraw/zinc/69/37/84/414693784.db2.gz FHRKJGFXYBVOSU-CQSZACIVSA-N 2 2 272.389 0.180 20 0 CCADLP CC(C)(C)n1nnc(CC[N@@H+]2CCCC[C@@H]2C[NH3+])n1 ZINC000662246546 414698802 /nfs/dbraw/zinc/69/88/02/414698802.db2.gz ZBWACKHHPPIYRD-LLVKDONJSA-N 2 2 266.393 0.784 20 0 CCADLP CC(C)(C)n1nnc(CC[N@H+]2CCCC[C@@H]2C[NH3+])n1 ZINC000662246546 414698803 /nfs/dbraw/zinc/69/88/03/414698803.db2.gz ZBWACKHHPPIYRD-LLVKDONJSA-N 2 2 266.393 0.784 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000662339376 414711282 /nfs/dbraw/zinc/71/12/82/414711282.db2.gz GOJCNOJTTKNDPH-NSHDSACASA-N 2 2 257.378 0.211 20 0 CCADLP Cn1cc[nH+]c1[C@H]1N(C(=O)C[C@@H]2COCC[NH2+]2)CC1(C)C ZINC000662755312 414765396 /nfs/dbraw/zinc/76/53/96/414765396.db2.gz DUHUFNIBHITQSW-DGCLKSJQSA-N 2 2 292.383 0.708 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000662755906 414765512 /nfs/dbraw/zinc/76/55/12/414765512.db2.gz HHVWXTXTZOLZHA-CMPLNLGQSA-N 2 2 280.372 0.693 20 0 CCADLP [NH3+]CC(F)(F)CNC(=O)[C@@H]([NH3+])c1ccc(F)cc1F ZINC000662766267 414775731 /nfs/dbraw/zinc/77/57/31/414775731.db2.gz HSROPHRPSJOXNZ-VIFPVBQESA-N 2 2 279.237 0.675 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000662385010 414713406 /nfs/dbraw/zinc/71/34/06/414713406.db2.gz FNRGJOYHLKWTQV-NSHDSACASA-N 2 2 250.346 0.762 20 0 CCADLP [NH3+]CCn1cc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)nn1 ZINC000662427577 414717170 /nfs/dbraw/zinc/71/71/70/414717170.db2.gz RFEWPIPKCWVYDO-LLVKDONJSA-N 2 2 289.343 0.327 20 0 CCADLP C[C@@H](Cc1ccco1)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000662430146 414717426 /nfs/dbraw/zinc/71/74/26/414717426.db2.gz UZUPLAJCXHJJEO-NWDGAFQWSA-N 2 2 265.357 0.560 20 0 CCADLP C[C@@H](Cc1ccco1)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000662430146 414717427 /nfs/dbraw/zinc/71/74/27/414717427.db2.gz UZUPLAJCXHJJEO-NWDGAFQWSA-N 2 2 265.357 0.560 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000662506294 414724021 /nfs/dbraw/zinc/72/40/21/414724021.db2.gz IBYRGVOYDVATCA-NEPJUHHUSA-N 2 2 262.357 0.775 20 0 CCADLP C[NH+]1CCN(C(=O)c2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000662523324 414725249 /nfs/dbraw/zinc/72/52/49/414725249.db2.gz LTBSGEYPTQWCJB-UHFFFAOYSA-N 2 2 278.356 0.529 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662619315 414733592 /nfs/dbraw/zinc/73/35/92/414733592.db2.gz KAZOCNXEBIZWMF-NWDGAFQWSA-N 3 2 270.421 0.254 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662619315 414733593 /nfs/dbraw/zinc/73/35/93/414733593.db2.gz KAZOCNXEBIZWMF-NWDGAFQWSA-N 3 2 270.421 0.254 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C2(C[NH3+])CCCC2)[C@@H](C)CO1 ZINC000662631035 414734876 /nfs/dbraw/zinc/73/48/76/414734876.db2.gz PGNRFQFTBWUOFD-QWHCGFSZSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2(C[NH3+])CCCC2)[C@@H](C)CO1 ZINC000662631035 414734877 /nfs/dbraw/zinc/73/48/77/414734877.db2.gz PGNRFQFTBWUOFD-QWHCGFSZSA-N 2 2 283.416 0.731 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000662630846 414734919 /nfs/dbraw/zinc/73/49/19/414734919.db2.gz NROKLOLBRQONQW-RWMBFGLXSA-N 2 2 271.405 0.600 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000662630846 414734920 /nfs/dbraw/zinc/73/49/20/414734920.db2.gz NROKLOLBRQONQW-RWMBFGLXSA-N 2 2 271.405 0.600 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1C[C@]2(C)COC[C@]2(C)C1 ZINC000662639235 414736145 /nfs/dbraw/zinc/73/61/45/414736145.db2.gz JUFPWAZVWKIWTF-FPMFFAJLSA-N 2 2 269.389 0.150 20 0 CCADLP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000662658638 414737973 /nfs/dbraw/zinc/73/79/73/414737973.db2.gz GDQXQIJNTMPLIE-OLZOCXBDSA-N 2 2 290.367 0.094 20 0 CCADLP [NH3+]C[C@H]1OCC[C@@H]1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000662734358 414748076 /nfs/dbraw/zinc/74/80/76/414748076.db2.gz FUNYETJVQSCSPY-WDEREUQCSA-N 2 2 260.297 0.637 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662839535 414833297 /nfs/dbraw/zinc/83/32/97/414833297.db2.gz TYSAKUAZQJLZAK-SNVBAGLBSA-N 2 2 276.262 0.910 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662839535 414833301 /nfs/dbraw/zinc/83/33/01/414833301.db2.gz TYSAKUAZQJLZAK-SNVBAGLBSA-N 2 2 276.262 0.910 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000662871297 414855378 /nfs/dbraw/zinc/85/53/78/414855378.db2.gz WFUMUEPWTHJFKF-RDBSUJKOSA-N 2 2 281.400 0.308 20 0 CCADLP [NH3+]CC12CC(C1)CN2C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000662874910 414859395 /nfs/dbraw/zinc/85/93/95/414859395.db2.gz CKQNSZZACYDKPZ-UHFFFAOYSA-N 2 2 274.368 0.712 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccnn1C(C)(C)C ZINC000662937800 414907114 /nfs/dbraw/zinc/90/71/14/414907114.db2.gz QGNVZZOMQRRPMR-SNVBAGLBSA-N 2 2 267.377 0.856 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000662968709 414923281 /nfs/dbraw/zinc/92/32/81/414923281.db2.gz WGLDVLVCYOXUEJ-SECBINFHSA-N 2 2 263.332 0.688 20 0 CCADLP CN(C(=O)[C@H]1CCC[NH2+]1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899149 414879350 /nfs/dbraw/zinc/87/93/50/414879350.db2.gz BYBGQHJXFCALCO-LSDHHAIUSA-N 3 2 294.443 0.365 20 0 CCADLP CN(C(=O)[C@H]1CCC[NH2+]1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899149 414879356 /nfs/dbraw/zinc/87/93/56/414879356.db2.gz BYBGQHJXFCALCO-LSDHHAIUSA-N 3 2 294.443 0.365 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899920 414879374 /nfs/dbraw/zinc/87/93/74/414879374.db2.gz HVXBVHFCWXXRNG-HUUCEWRRSA-N 3 2 296.459 0.611 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899920 414879378 /nfs/dbraw/zinc/87/93/78/414879378.db2.gz HVXBVHFCWXXRNG-HUUCEWRRSA-N 3 2 296.459 0.611 20 0 CCADLP C[C@H](NC(=O)CC[C@H]1CC[NH2+]C1)c1[nH+]ccn1C ZINC000662932778 414901911 /nfs/dbraw/zinc/90/19/11/414901911.db2.gz FTFZBPISPJZWNX-QWRGUYRKSA-N 2 2 250.346 0.987 20 0 CCADLP C[C@@H](NC(=O)[C@H]1C[C@H](C)CC[NH2+]1)c1[nH+]ccn1C ZINC000662932807 414902046 /nfs/dbraw/zinc/90/20/46/414902046.db2.gz GKLJVECCKTYYFX-GMTAPVOTSA-N 2 2 250.346 0.985 20 0 CCADLP C[C@H](NC(=O)c1csc(C[NH3+])n1)c1[nH+]ccn1C ZINC000662933161 414902304 /nfs/dbraw/zinc/90/23/04/414902304.db2.gz HWZFNPZCEPUSQC-ZETCQYMHSA-N 2 2 265.342 0.826 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C[C@](C)(C(F)F)O1 ZINC000663005485 414946679 /nfs/dbraw/zinc/94/66/79/414946679.db2.gz PFEZQDAYZFRJHA-GIPNMCIBSA-N 2 2 293.358 0.537 20 0 CCADLP COc1c(N)[nH+]cnc1N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000663243371 415026432 /nfs/dbraw/zinc/02/64/32/415026432.db2.gz YQKNCLQXRFDOME-BBBLOLIVSA-N 2 2 265.361 0.877 20 0 CCADLP COc1c(N)nc[nH+]c1N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000663243371 415026436 /nfs/dbraw/zinc/02/64/36/415026436.db2.gz YQKNCLQXRFDOME-BBBLOLIVSA-N 2 2 265.361 0.877 20 0 CCADLP C[NH+]1CCN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)CC1 ZINC000663312327 415042794 /nfs/dbraw/zinc/04/27/94/415042794.db2.gz VPJZEQUNSARXOD-UHFFFAOYSA-N 2 2 291.399 0.580 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1cscn1 ZINC000663874479 415155625 /nfs/dbraw/zinc/15/56/25/415155625.db2.gz JZGBIZMORCRBQV-UHFFFAOYSA-N 2 2 299.444 0.826 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1cscn1 ZINC000663874479 415155630 /nfs/dbraw/zinc/15/56/30/415155630.db2.gz JZGBIZMORCRBQV-UHFFFAOYSA-N 2 2 299.444 0.826 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1CCCOC1 ZINC000664017035 415207333 /nfs/dbraw/zinc/20/73/33/415207333.db2.gz UGQBZQLNBGXEGV-ZDUSSCGKSA-N 2 2 286.420 0.348 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1CCCOC1 ZINC000664017035 415207342 /nfs/dbraw/zinc/20/73/42/415207342.db2.gz UGQBZQLNBGXEGV-ZDUSSCGKSA-N 2 2 286.420 0.348 20 0 CCADLP CCn1ccnc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1=O ZINC000664195532 415279782 /nfs/dbraw/zinc/27/97/82/415279782.db2.gz COBVJWHQFKDKEV-ZDUSSCGKSA-N 2 2 295.431 0.947 20 0 CCADLP CCn1ccnc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1=O ZINC000664195532 415279787 /nfs/dbraw/zinc/27/97/87/415279787.db2.gz COBVJWHQFKDKEV-ZDUSSCGKSA-N 2 2 295.431 0.947 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000664898020 415487777 /nfs/dbraw/zinc/48/77/77/415487777.db2.gz WGIFWYIFXPETHK-STQMWFEESA-N 2 2 284.404 0.053 20 0 CCADLP NC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000665039890 415517375 /nfs/dbraw/zinc/51/73/75/415517375.db2.gz IVUIJWLJTOEFGO-KGLIPLIRSA-N 2 2 286.335 0.293 20 0 CCADLP NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000665039890 415517380 /nfs/dbraw/zinc/51/73/80/415517380.db2.gz IVUIJWLJTOEFGO-KGLIPLIRSA-N 2 2 286.335 0.293 20 0 CCADLP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000665287028 415587300 /nfs/dbraw/zinc/58/73/00/415587300.db2.gz ABNKWZHVPRODCI-UKRRQHHQSA-N 3 2 296.459 0.517 20 0 CCADLP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000665287028 415587306 /nfs/dbraw/zinc/58/73/06/415587306.db2.gz ABNKWZHVPRODCI-UKRRQHHQSA-N 3 2 296.459 0.517 20 0 CCADLP C[C@H](CC[NH3+])NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000417897374 227105093 /nfs/dbraw/zinc/10/50/93/227105093.db2.gz XSIIQEAJZXPLBQ-SNVBAGLBSA-N 2 2 261.329 0.871 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000417895904 227098731 /nfs/dbraw/zinc/09/87/31/227098731.db2.gz VMBMDIGRKCKHIZ-JTQLQIEISA-N 2 2 261.329 0.871 20 0 CCADLP CCn1cncc1C[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000417938136 227238919 /nfs/dbraw/zinc/23/89/19/227238919.db2.gz IHIBDJQBHZQLEB-CYBMUJFWSA-N 2 2 266.389 0.961 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000085366919 544493883 /nfs/dbraw/zinc/49/38/83/544493883.db2.gz HYMRLIMJGGPENZ-LSDHHAIUSA-N 2 2 288.395 0.853 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000080530678 544478518 /nfs/dbraw/zinc/47/85/18/544478518.db2.gz KYGHYXZKCHDTHQ-SNVBAGLBSA-N 2 2 276.262 0.910 20 0 CCADLP CC(C)(CNC(=O)CC1([NH3+])CCC1)[NH+]1CCOCC1 ZINC000094294993 544543587 /nfs/dbraw/zinc/54/35/87/544543587.db2.gz MHTAXILZUSNFJU-UHFFFAOYSA-N 2 2 269.389 0.485 20 0 CCADLP [NH3+]CCc1nc(C(=O)NCc2c[nH+]c[nH]2)cs1 ZINC000090957687 544525249 /nfs/dbraw/zinc/52/52/49/544525249.db2.gz OCCPDSQUAXKGAN-UHFFFAOYSA-N 2 2 251.315 0.297 20 0 CCADLP [NH3+]CCc1nc(C(=O)NCc2c[nH]c[nH+]2)cs1 ZINC000090957687 544525251 /nfs/dbraw/zinc/52/52/51/544525251.db2.gz OCCPDSQUAXKGAN-UHFFFAOYSA-N 2 2 251.315 0.297 20 0 CCADLP CCc1nnc(N2CC[N@H+](C)C[C@@H]2C[NH3+])nc1CC ZINC000097838059 544553662 /nfs/dbraw/zinc/55/36/62/544553662.db2.gz YTNBWDIPPCZWED-JTQLQIEISA-N 2 2 264.377 0.076 20 0 CCADLP CCc1nnc(N2CC[N@@H+](C)C[C@@H]2C[NH3+])nc1CC ZINC000097838059 544553666 /nfs/dbraw/zinc/55/36/66/544553666.db2.gz YTNBWDIPPCZWED-JTQLQIEISA-N 2 2 264.377 0.076 20 0 CCADLP O=C(NCCn1cc[nH+]c1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111246124 544562036 /nfs/dbraw/zinc/56/20/36/544562036.db2.gz RPCUFNKQJLTOEV-JTQLQIEISA-N 2 2 276.262 0.541 20 0 CCADLP CC1CC[NH+](CC[NH2+][C@H]2CCCNC(=O)C2)CC1 ZINC000111828471 544562595 /nfs/dbraw/zinc/56/25/95/544562595.db2.gz PCGZQUAKPFZQOI-ZDUSSCGKSA-N 2 2 253.390 0.977 20 0 CCADLP Cc1nc(NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)nc(N)[nH+]1 ZINC000631346956 419479868 /nfs/dbraw/zinc/47/98/68/419479868.db2.gz AIQNUIAEIBVQGD-BBBLOLIVSA-N 2 2 280.376 0.094 20 0 CCADLP Cc1nc(NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nc(N)[nH+]1 ZINC000631346956 419479888 /nfs/dbraw/zinc/47/98/88/419479888.db2.gz AIQNUIAEIBVQGD-BBBLOLIVSA-N 2 2 280.376 0.094 20 0 CCADLP [NH3+][C@@H](C(=O)NCC[NH+]1CCOCC1)c1cccc(Cl)c1 ZINC000163420273 544715347 /nfs/dbraw/zinc/71/53/47/544715347.db2.gz GFSVRMQKQYGXKR-CYBMUJFWSA-N 2 2 297.786 0.788 20 0 CCADLP Cc1nc(N[C@H](C)CN2CC[NH+](C)CC2)nc(N(C)C)[nH+]1 ZINC000488385647 420305796 /nfs/dbraw/zinc/30/57/96/420305796.db2.gz CXHDBWAUETYIIE-LLVKDONJSA-N 2 2 293.419 0.294 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H]1CCC[C@@H]1[NH3+])[NH+]1CCOCC1 ZINC000237453925 544894481 /nfs/dbraw/zinc/89/44/81/544894481.db2.gz RXKHPOLYLAGGOR-LOWDOPEQSA-N 2 2 269.389 0.339 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC[NH+]1CCCCC1 ZINC000276472030 544954419 /nfs/dbraw/zinc/95/44/19/544954419.db2.gz QJYQXOBENPOKSW-UHFFFAOYSA-N 2 2 250.346 0.944 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH+]1CCCCC1 ZINC000276472030 544954429 /nfs/dbraw/zinc/95/44/29/544954429.db2.gz QJYQXOBENPOKSW-UHFFFAOYSA-N 2 2 250.346 0.944 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)N2C[C@H](C)O[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000251728692 544927031 /nfs/dbraw/zinc/92/70/31/544927031.db2.gz KHLQIVODNLHRNX-IGQOVBAYSA-N 2 2 283.416 0.681 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)N2C[C@H](C)O[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000251728692 544927036 /nfs/dbraw/zinc/92/70/36/544927036.db2.gz KHLQIVODNLHRNX-IGQOVBAYSA-N 2 2 283.416 0.681 20 0 CCADLP CC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C1CCC1 ZINC000324984906 545016872 /nfs/dbraw/zinc/01/68/72/545016872.db2.gz SPBYHODOGWPWTR-CYBMUJFWSA-N 2 2 253.390 0.929 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)CN2CC[NH+](C)CC2(C)C)C[C@H](C)O1 ZINC000347603024 545063015 /nfs/dbraw/zinc/06/30/15/545063015.db2.gz XTTVUSPAUDJMCF-QLFBSQMISA-N 2 2 299.459 0.483 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)CN2CC[NH+](C)CC2(C)C)C[C@H](C)O1 ZINC000347603024 545063016 /nfs/dbraw/zinc/06/30/16/545063016.db2.gz XTTVUSPAUDJMCF-QLFBSQMISA-N 2 2 299.459 0.483 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)CN2CC[N@H+](C)CC2(C)C)C[C@H](C)O1 ZINC000347603024 545063017 /nfs/dbraw/zinc/06/30/17/545063017.db2.gz XTTVUSPAUDJMCF-QLFBSQMISA-N 2 2 299.459 0.483 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)CN2CC[N@@H+](C)CC2(C)C)C[C@H](C)O1 ZINC000347603024 545063018 /nfs/dbraw/zinc/06/30/18/545063018.db2.gz XTTVUSPAUDJMCF-QLFBSQMISA-N 2 2 299.459 0.483 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC000351970807 545068836 /nfs/dbraw/zinc/06/88/36/545068836.db2.gz JNRRKULZUIQDMC-LBPRGKRZSA-N 2 2 250.346 0.799 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC000351970807 545068837 /nfs/dbraw/zinc/06/88/37/545068837.db2.gz JNRRKULZUIQDMC-LBPRGKRZSA-N 2 2 250.346 0.799 20 0 CCADLP CCOc1cccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)n1 ZINC000521900117 260225227 /nfs/dbraw/zinc/22/52/27/260225227.db2.gz CBIOONOZYJAUHR-STQMWFEESA-N 2 2 290.367 0.224 20 0 CCADLP CCOc1cccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)n1 ZINC000521900117 260225228 /nfs/dbraw/zinc/22/52/28/260225228.db2.gz CBIOONOZYJAUHR-STQMWFEESA-N 2 2 290.367 0.224 20 0 CCADLP CCN(CCC[NH+](C)C)C(=O)Cc1c[nH+]cn1C ZINC000526066955 269795497 /nfs/dbraw/zinc/79/54/97/269795497.db2.gz YHTRLVPIFQBHLI-UHFFFAOYSA-N 2 2 252.362 0.763 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC000357406972 545078599 /nfs/dbraw/zinc/07/85/99/545078599.db2.gz OXOJGFHVGLRMHK-ZDUSSCGKSA-N 2 2 280.372 0.569 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC000357406972 545078601 /nfs/dbraw/zinc/07/86/01/545078601.db2.gz OXOJGFHVGLRMHK-ZDUSSCGKSA-N 2 2 280.372 0.569 20 0 CCADLP O=C(CC[NH2+]C1CC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000519000069 265292865 /nfs/dbraw/zinc/29/28/65/265292865.db2.gz SETPFFOVIMARNS-AWEZNQCLSA-N 2 2 281.400 0.452 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000519104397 265321347 /nfs/dbraw/zinc/32/13/47/265321347.db2.gz QFBZRHHKBRELMO-AWEZNQCLSA-N 2 2 298.431 0.348 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000519104397 265321348 /nfs/dbraw/zinc/32/13/48/265321348.db2.gz QFBZRHHKBRELMO-AWEZNQCLSA-N 2 2 298.431 0.348 20 0 CCADLP C(C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)C[C@@H]1CCC[NH2+]1 ZINC000423474839 275394185 /nfs/dbraw/zinc/39/41/85/275394185.db2.gz HSDKYBBCDNNOBO-RRFJBIMHSA-N 3 2 267.417 0.875 20 0 CCADLP CC(C)C[NH+]1CCN(C(=O)[C@H]2[NH2+]CCO[C@@H]2C)CC1 ZINC000262378491 275576705 /nfs/dbraw/zinc/57/67/05/275576705.db2.gz WWARIZICUUXUKX-OLZOCXBDSA-N 2 2 269.389 0.164 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccon3)C2)CC1 ZINC000132981644 276201118 /nfs/dbraw/zinc/20/11/18/276201118.db2.gz OLGKALHVRHHZFI-AWEZNQCLSA-N 2 2 264.373 0.886 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccon3)C2)CC1 ZINC000132981644 276201120 /nfs/dbraw/zinc/20/11/20/276201120.db2.gz OLGKALHVRHHZFI-AWEZNQCLSA-N 2 2 264.373 0.886 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000352967025 276208156 /nfs/dbraw/zinc/20/81/56/276208156.db2.gz KORVDSPDPOGVDG-OLZOCXBDSA-N 2 2 292.383 0.836 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000352967025 276208157 /nfs/dbraw/zinc/20/81/57/276208157.db2.gz KORVDSPDPOGVDG-OLZOCXBDSA-N 2 2 292.383 0.836 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccon3)C2)CC1 ZINC000132981415 276386783 /nfs/dbraw/zinc/38/67/83/276386783.db2.gz OLGKALHVRHHZFI-CQSZACIVSA-N 2 2 264.373 0.886 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccon3)C2)CC1 ZINC000132981415 276386784 /nfs/dbraw/zinc/38/67/84/276386784.db2.gz OLGKALHVRHHZFI-CQSZACIVSA-N 2 2 264.373 0.886 20 0 CCADLP C[NH2+]CCC[N@H+](C)[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000420384625 277022112 /nfs/dbraw/zinc/02/21/12/277022112.db2.gz DSMGLIBDFZWDIB-LBPRGKRZSA-N 2 2 279.388 0.375 20 0 CCADLP C[NH2+]CCC[N@@H+](C)[C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000420384625 277022113 /nfs/dbraw/zinc/02/21/13/277022113.db2.gz DSMGLIBDFZWDIB-LBPRGKRZSA-N 2 2 279.388 0.375 20 0 CCADLP CC(=O)NC1CCC([NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000334392354 277025232 /nfs/dbraw/zinc/02/52/32/277025232.db2.gz XMETWTSCTYPKMT-WKIYYKSKSA-N 2 2 253.390 0.973 20 0 CCADLP CC(=O)NC1CCC([NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000334392354 277025233 /nfs/dbraw/zinc/02/52/33/277025233.db2.gz XMETWTSCTYPKMT-WKIYYKSKSA-N 2 2 253.390 0.973 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)CC1 ZINC000375357493 277090111 /nfs/dbraw/zinc/09/01/11/277090111.db2.gz VMFIVDYFOZNWDZ-ZIAGYGMSSA-N 2 2 281.400 0.404 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)CC1 ZINC000375357493 277090113 /nfs/dbraw/zinc/09/01/13/277090113.db2.gz VMFIVDYFOZNWDZ-ZIAGYGMSSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@@H+]1CCO[C@H]2CCN(c3nc[nH+]c(N)c3Cl)C[C@@H]21 ZINC000225474332 277130176 /nfs/dbraw/zinc/13/01/76/277130176.db2.gz XMKFLQZSFIZZMS-IUCAKERBSA-N 2 2 283.763 0.622 20 0 CCADLP C[N@H+]1CCO[C@H]2CCN(c3nc[nH+]c(N)c3Cl)C[C@@H]21 ZINC000225474332 277130178 /nfs/dbraw/zinc/13/01/78/277130178.db2.gz XMKFLQZSFIZZMS-IUCAKERBSA-N 2 2 283.763 0.622 20 0 CCADLP CO[C@H]1C[C@@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C12CCC2 ZINC000451839287 277348435 /nfs/dbraw/zinc/34/84/35/277348435.db2.gz RJJADMZYRMCVES-KGLIPLIRSA-N 2 2 295.427 0.650 20 0 CCADLP CO[C@H]1C[C@@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C12CCC2 ZINC000451839287 277348436 /nfs/dbraw/zinc/34/84/36/277348436.db2.gz RJJADMZYRMCVES-KGLIPLIRSA-N 2 2 295.427 0.650 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000269242690 277749028 /nfs/dbraw/zinc/74/90/28/277749028.db2.gz RJBXLJZGSAGQHN-CYBMUJFWSA-N 2 2 292.383 0.518 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000352814113 278015255 /nfs/dbraw/zinc/01/52/55/278015255.db2.gz DPFIWVWOUJLMRE-PMPSAXMXSA-N 2 2 297.443 0.238 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000168651107 278231842 /nfs/dbraw/zinc/23/18/42/278231842.db2.gz MPFSVFYFQPSXHI-RYUDHWBXSA-N 2 2 296.415 0.814 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000168651107 278231845 /nfs/dbraw/zinc/23/18/45/278231845.db2.gz MPFSVFYFQPSXHI-RYUDHWBXSA-N 2 2 296.415 0.814 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(S(C)(=O)=O)CCCC1 ZINC000423110200 278373057 /nfs/dbraw/zinc/37/30/57/278373057.db2.gz OUTUJOCDUAWVIU-RYUDHWBXSA-N 2 2 274.430 0.931 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000236718699 279177518 /nfs/dbraw/zinc/17/75/18/279177518.db2.gz ZFLSUOGIVXOIMV-AVGNSLFASA-N 2 2 271.405 0.585 20 0 CCADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000192099189 279248905 /nfs/dbraw/zinc/24/89/05/279248905.db2.gz RSUOBLBCWVJCBE-GHMZBOCLSA-N 2 2 294.399 0.919 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCCc1cn(C)c[nH+]1 ZINC000458795290 279380334 /nfs/dbraw/zinc/38/03/34/279380334.db2.gz CJIGHFANLMTPNH-LBPRGKRZSA-N 2 2 281.404 0.991 20 0 CCADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCCc1cn(C)c[nH+]1 ZINC000458795290 279380336 /nfs/dbraw/zinc/38/03/36/279380336.db2.gz CJIGHFANLMTPNH-LBPRGKRZSA-N 2 2 281.404 0.991 20 0 CCADLP C[C@H]([NH3+])CC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000261921465 279395105 /nfs/dbraw/zinc/39/51/05/279395105.db2.gz XQUONLCXODAWGL-JTQLQIEISA-N 2 2 259.313 0.621 20 0 CCADLP C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000333537012 279929457 /nfs/dbraw/zinc/92/94/57/279929457.db2.gz ZDKZQRKWSWVEIC-GXSJLCMTSA-N 2 2 286.401 0.009 20 0 CCADLP CCS(=O)(=O)N(C)CCC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000358004168 280009423 /nfs/dbraw/zinc/00/94/23/280009423.db2.gz KVFQZEWTEDNVIO-NWDGAFQWSA-N 2 2 277.434 0.198 20 0 CCADLP CCS(=O)(=O)N(C)CCC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000358004168 280009425 /nfs/dbraw/zinc/00/94/25/280009425.db2.gz KVFQZEWTEDNVIO-NWDGAFQWSA-N 2 2 277.434 0.198 20 0 CCADLP C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1c1cc[nH+]c(N(C)C)n1 ZINC000357598782 280102951 /nfs/dbraw/zinc/10/29/51/280102951.db2.gz SIKHNURNUVDCBZ-STQMWFEESA-N 2 2 291.399 0.842 20 0 CCADLP C[C@@H]1C[N@H+](Cc2cnn(C)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374326518 288222452 /nfs/dbraw/zinc/22/24/52/288222452.db2.gz SQCUFOGLVMQJCT-ZBFHGGJFSA-N 2 2 291.443 0.878 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2cnn(C)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374326518 288222457 /nfs/dbraw/zinc/22/24/57/288222457.db2.gz SQCUFOGLVMQJCT-ZBFHGGJFSA-N 2 2 291.443 0.878 20 0 CCADLP CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[N@@H+]1C[C@@H](C)O ZINC000266290843 280349166 /nfs/dbraw/zinc/34/91/66/280349166.db2.gz BVQTXIGTVIIJDM-ZIAGYGMSSA-N 2 2 294.399 0.577 20 0 CCADLP CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[N@H+]1C[C@@H](C)O ZINC000266290843 280349168 /nfs/dbraw/zinc/34/91/68/280349168.db2.gz BVQTXIGTVIIJDM-ZIAGYGMSSA-N 2 2 294.399 0.577 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000178830997 289067536 /nfs/dbraw/zinc/06/75/36/289067536.db2.gz MTTVVQPAPWCVJN-ZDUSSCGKSA-N 3 2 282.432 0.271 20 0 CCADLP C[NH+](C)CC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000370603262 289077431 /nfs/dbraw/zinc/07/74/31/289077431.db2.gz JOTVUJGSPPSOSA-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)CC1 ZINC000365404019 289297074 /nfs/dbraw/zinc/29/70/74/289297074.db2.gz OERQBJSPRPMABZ-CYBMUJFWSA-N 2 2 289.383 0.939 20 0 CCADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)CC1 ZINC000365404019 289297073 /nfs/dbraw/zinc/29/70/73/289297073.db2.gz OERQBJSPRPMABZ-CYBMUJFWSA-N 2 2 289.383 0.939 20 0 CCADLP C[NH+](C)[C@H]1CCC[N@H+](CCCS(C)(=O)=O)CC1 ZINC000377262981 289373567 /nfs/dbraw/zinc/37/35/67/289373567.db2.gz UHXNYQAPEGEVRY-LBPRGKRZSA-N 2 2 262.419 0.837 20 0 CCADLP C[NH+](C)[C@H]1CCC[N@@H+](CCCS(C)(=O)=O)CC1 ZINC000377262981 289373569 /nfs/dbraw/zinc/37/35/69/289373569.db2.gz UHXNYQAPEGEVRY-LBPRGKRZSA-N 2 2 262.419 0.837 20 0 CCADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1cn2cccnc2n1 ZINC000459492057 289485264 /nfs/dbraw/zinc/48/52/64/289485264.db2.gz ZNPVDFVSBIQOOB-CYBMUJFWSA-N 2 2 289.383 0.930 20 0 CCADLP CN1CC[N@H+](C)[C@H](CNC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000252850615 290035522 /nfs/dbraw/zinc/03/55/22/290035522.db2.gz IYVKWRRNGLXWBN-CQSZACIVSA-N 2 2 296.459 0.648 20 0 CCADLP CN1CC[N@@H+](C)[C@H](CNC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000252850615 290035523 /nfs/dbraw/zinc/03/55/23/290035523.db2.gz IYVKWRRNGLXWBN-CQSZACIVSA-N 2 2 296.459 0.648 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]CCS(C)(=O)=O)[C@H]2CCC[C@H]21 ZINC000367639890 290219250 /nfs/dbraw/zinc/21/92/50/290219250.db2.gz XKGHMNMGPRVRNX-GRYCIOLGSA-N 2 2 260.403 0.493 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]CCS(C)(=O)=O)[C@H]2CCC[C@H]21 ZINC000367639890 290219252 /nfs/dbraw/zinc/21/92/52/290219252.db2.gz XKGHMNMGPRVRNX-GRYCIOLGSA-N 2 2 260.403 0.493 20 0 CCADLP C[N@@H+]1CC[C@]2(CC[NH+]([C@@H]3CCN(C4CC4)C3=O)C2)C1 ZINC000334191838 290252196 /nfs/dbraw/zinc/25/21/96/290252196.db2.gz JVYVLYVYMYGWCN-HIFRSBDPSA-N 2 2 263.385 0.777 20 0 CCADLP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CCN(C4CC4)C3=O)C2)C1 ZINC000334191838 290252197 /nfs/dbraw/zinc/25/21/97/290252197.db2.gz JVYVLYVYMYGWCN-HIFRSBDPSA-N 2 2 263.385 0.777 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CCN(C4CC4)C3=O)C2)C1 ZINC000334191838 290252198 /nfs/dbraw/zinc/25/21/98/290252198.db2.gz JVYVLYVYMYGWCN-HIFRSBDPSA-N 2 2 263.385 0.777 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CCN(C4CC4)C3=O)C2)C1 ZINC000334191838 290252200 /nfs/dbraw/zinc/25/22/00/290252200.db2.gz JVYVLYVYMYGWCN-HIFRSBDPSA-N 2 2 263.385 0.777 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)C[C@@H]21 ZINC000360830256 295308738 /nfs/dbraw/zinc/30/87/38/295308738.db2.gz DTMQUYCHSLJXPM-YTWAJWBKSA-N 2 2 273.327 0.569 20 0 CCADLP [NH3+][C@H](C(=O)N1CCC([NH3+])CC1)c1c(F)cccc1F ZINC000335379745 295327201 /nfs/dbraw/zinc/32/72/01/295327201.db2.gz JOTUTEICOJKFBY-LBPRGKRZSA-N 2 2 269.295 0.914 20 0 CCADLP C[C@H](C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)[NH+]1CCSCC1 ZINC000452978660 298098766 /nfs/dbraw/zinc/09/87/66/298098766.db2.gz SIPYJHNJXUFJNZ-FRRDWIJNSA-N 2 2 283.441 0.586 20 0 CCADLP C[C@H](C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)[NH+]1CCSCC1 ZINC000452978660 298098769 /nfs/dbraw/zinc/09/87/69/298098769.db2.gz SIPYJHNJXUFJNZ-FRRDWIJNSA-N 2 2 283.441 0.586 20 0 CCADLP C[C@H](C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000424053854 298105184 /nfs/dbraw/zinc/10/51/84/298105184.db2.gz AFWBYYIKWNLBNC-BARDWOONSA-N 2 2 296.459 0.454 20 0 CCADLP C[C@H](CNC(=O)C1([NH+]2CCOCC2)CCC1)C[NH+](C)C ZINC000341302510 298683982 /nfs/dbraw/zinc/68/39/82/298683982.db2.gz NIHXVVRQYHFHTK-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000269159248 298960070 /nfs/dbraw/zinc/96/00/70/298960070.db2.gz KDVIWLKBOUFPGY-ZDUSSCGKSA-N 2 2 291.395 0.986 20 0 CCADLP CO[C@@]1(CO)CCC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000401967951 545090955 /nfs/dbraw/zinc/09/09/55/545090955.db2.gz HMUURRDRZAHYOO-AWEZNQCLSA-N 2 2 267.373 0.826 20 0 CCADLP CO[C@@]1(CO)CCC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000401967951 545090954 /nfs/dbraw/zinc/09/09/54/545090954.db2.gz HMUURRDRZAHYOO-AWEZNQCLSA-N 2 2 267.373 0.826 20 0 CCADLP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC[NH+]1CCOCC1 ZINC000387611496 327791810 /nfs/dbraw/zinc/79/18/10/327791810.db2.gz YURFRUFOYKCCTM-GFCCVEGCSA-N 2 2 271.405 0.459 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@H]2CCCS2)C[C@H](C)O1 ZINC000576508717 327033767 /nfs/dbraw/zinc/03/37/67/327033767.db2.gz IHMVTXYDUTXGRG-XJFOESAGSA-N 2 2 288.457 0.942 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@H]2CCCS2)C[C@H](C)O1 ZINC000576508717 327033768 /nfs/dbraw/zinc/03/37/68/327033768.db2.gz IHMVTXYDUTXGRG-XJFOESAGSA-N 2 2 288.457 0.942 20 0 CCADLP C[N@H+](CCNC[C@H](O)CN1CC[NH+](C)CC1)C1CCCC1 ZINC000566108255 327137331 /nfs/dbraw/zinc/13/73/31/327137331.db2.gz XIPXUYFJFRZNIZ-INIZCTEOSA-N 2 2 298.475 0.059 20 0 CCADLP C[N@@H+](CCNC[C@H](O)CN1CC[NH+](C)CC1)C1CCCC1 ZINC000566108255 327137333 /nfs/dbraw/zinc/13/73/33/327137333.db2.gz XIPXUYFJFRZNIZ-INIZCTEOSA-N 2 2 298.475 0.059 20 0 CCADLP O=C1N[C@]2(CCC[NH2+]C2)C(=O)N1Cc1cn2ccccc2[nH+]1 ZINC000316650794 327182480 /nfs/dbraw/zinc/18/24/80/327182480.db2.gz QRARJPKOQBGWET-HNNXBMFYSA-N 2 2 299.334 0.508 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC000574032401 327282527 /nfs/dbraw/zinc/28/25/27/327282527.db2.gz ADNZTKAGFVHNCO-BNOWGMLFSA-N 2 2 264.373 0.316 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC000574032401 327282529 /nfs/dbraw/zinc/28/25/29/327282529.db2.gz ADNZTKAGFVHNCO-BNOWGMLFSA-N 2 2 264.373 0.316 20 0 CCADLP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000387522382 327297660 /nfs/dbraw/zinc/29/76/60/327297660.db2.gz KODRIMFTHRRPHW-QWHCGFSZSA-N 2 2 285.432 0.848 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)n1C ZINC000581380883 327535450 /nfs/dbraw/zinc/53/54/50/327535450.db2.gz HXYBMXBVKNTRSM-YPMHNXCESA-N 2 2 253.346 0.606 20 0 CCADLP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000570171725 327573869 /nfs/dbraw/zinc/57/38/69/327573869.db2.gz JFUMZVMXMPQANL-YVECIDJPSA-N 2 2 254.374 0.502 20 0 CCADLP Cc1cccn2c(C[NH2+][C@H]3CCC(=O)N(C)C3=O)c[nH+]c12 ZINC000582540771 329108807 /nfs/dbraw/zinc/10/88/07/329108807.db2.gz FYHBGZCOHJHZJQ-LBPRGKRZSA-N 2 2 286.335 0.880 20 0 CCADLP Cc1nc(N(C)CC[NH+](C)C)cc(N(C)CC[NH+](C)C)[nH+]1 ZINC000582824428 329268781 /nfs/dbraw/zinc/26/87/81/329268781.db2.gz RCTSNTVBIWSHQH-UHFFFAOYSA-N 3 2 294.447 0.781 20 0 CCADLP CNC(=O)CC[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000582853455 329280538 /nfs/dbraw/zinc/28/05/38/329280538.db2.gz FHGAZWDJZASXSL-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP CNC(=O)CC[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000582853455 329280540 /nfs/dbraw/zinc/28/05/40/329280540.db2.gz FHGAZWDJZASXSL-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP COc1c[nH+]ccc1N1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000582880383 329284626 /nfs/dbraw/zinc/28/46/26/329284626.db2.gz AFJGYFHUCDALHR-ZDUSSCGKSA-N 2 2 290.367 0.491 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000582972757 329296659 /nfs/dbraw/zinc/29/66/59/329296659.db2.gz ILFQBLDQAFCFPS-NEPJUHHUSA-N 2 2 280.372 0.425 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000582972757 329296661 /nfs/dbraw/zinc/29/66/61/329296661.db2.gz ILFQBLDQAFCFPS-NEPJUHHUSA-N 2 2 280.372 0.425 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000582972757 329296663 /nfs/dbraw/zinc/29/66/63/329296663.db2.gz ILFQBLDQAFCFPS-NEPJUHHUSA-N 2 2 280.372 0.425 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000582972757 329296664 /nfs/dbraw/zinc/29/66/64/329296664.db2.gz ILFQBLDQAFCFPS-NEPJUHHUSA-N 2 2 280.372 0.425 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000582972053 329296719 /nfs/dbraw/zinc/29/67/19/329296719.db2.gz BYHHWCGKDOKTHK-UHFFFAOYSA-N 3 2 288.399 0.908 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000575326292 335094276 /nfs/dbraw/zinc/09/42/76/335094276.db2.gz MQCHKUJMVLGPHD-KKUMJFAQSA-N 2 2 286.416 0.569 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000575326292 335094277 /nfs/dbraw/zinc/09/42/77/335094277.db2.gz MQCHKUJMVLGPHD-KKUMJFAQSA-N 2 2 286.416 0.569 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000575326292 335094279 /nfs/dbraw/zinc/09/42/79/335094279.db2.gz MQCHKUJMVLGPHD-KKUMJFAQSA-N 2 2 286.416 0.569 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000575326292 335094281 /nfs/dbraw/zinc/09/42/81/335094281.db2.gz MQCHKUJMVLGPHD-KKUMJFAQSA-N 2 2 286.416 0.569 20 0 CCADLP CO[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000575833937 335120829 /nfs/dbraw/zinc/12/08/29/335120829.db2.gz DHQCFDUKQFTBBW-UXXRCYHCSA-N 2 2 286.416 0.614 20 0 CCADLP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](Cc2cccnc2)CC1 ZINC000575944322 335134270 /nfs/dbraw/zinc/13/42/70/335134270.db2.gz SQTVLRXINTZFKU-MRXNPFEDSA-N 2 2 292.427 0.512 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](Cc2cccnc2)CC1 ZINC000575944322 335134271 /nfs/dbraw/zinc/13/42/71/335134271.db2.gz SQTVLRXINTZFKU-MRXNPFEDSA-N 2 2 292.427 0.512 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)Cc1[nH]c[nH+]c1C ZINC000576185295 335166666 /nfs/dbraw/zinc/16/66/66/335166666.db2.gz ONEOYFCHPZNSLK-LLVKDONJSA-N 2 2 250.346 0.813 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)Cc1[nH]c[nH+]c1C ZINC000576185295 335166667 /nfs/dbraw/zinc/16/66/67/335166667.db2.gz ONEOYFCHPZNSLK-LLVKDONJSA-N 2 2 250.346 0.813 20 0 CCADLP CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)CC(C)(C)O ZINC000311157269 334016001 /nfs/dbraw/zinc/01/60/01/334016001.db2.gz OPTZBDXYUSUWNN-LBPRGKRZSA-N 2 2 262.394 0.018 20 0 CCADLP CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)CC(C)(C)O ZINC000311157269 334016002 /nfs/dbraw/zinc/01/60/02/334016002.db2.gz OPTZBDXYUSUWNN-LBPRGKRZSA-N 2 2 262.394 0.018 20 0 CCADLP CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)CC(C)(C)O ZINC000311157269 334016004 /nfs/dbraw/zinc/01/60/04/334016004.db2.gz OPTZBDXYUSUWNN-LBPRGKRZSA-N 2 2 262.394 0.018 20 0 CCADLP CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)CC(C)(C)O ZINC000311157269 334016005 /nfs/dbraw/zinc/01/60/05/334016005.db2.gz OPTZBDXYUSUWNN-LBPRGKRZSA-N 2 2 262.394 0.018 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccsc1 ZINC000576225528 335173353 /nfs/dbraw/zinc/17/33/53/335173353.db2.gz RJHGLNTZBQUTAJ-PWSUYJOCSA-N 2 2 267.398 0.953 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccsc1 ZINC000576225528 335173354 /nfs/dbraw/zinc/17/33/54/335173354.db2.gz RJHGLNTZBQUTAJ-PWSUYJOCSA-N 2 2 267.398 0.953 20 0 CCADLP COc1ccnc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000566103596 334622896 /nfs/dbraw/zinc/62/28/96/334622896.db2.gz BLNXBUVMEJMQNE-GHMZBOCLSA-N 2 2 250.346 0.963 20 0 CCADLP CC(C)([NH3+])c1nocc1C(=O)NCC[NH+]1CCSCC1 ZINC000572780417 334877699 /nfs/dbraw/zinc/87/76/99/334877699.db2.gz JPJXRRMSEMDINT-UHFFFAOYSA-N 2 2 298.412 0.647 20 0 CCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCCn1cc[nH+]c1)C2 ZINC000576388542 335197205 /nfs/dbraw/zinc/19/72/05/335197205.db2.gz PLHZNEHSZMBFOA-GFCCVEGCSA-N 2 2 273.340 0.767 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000576475886 335209173 /nfs/dbraw/zinc/20/91/73/335209173.db2.gz PDHCJFWVBXGSCQ-KBPBESRZSA-N 2 2 294.395 0.388 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000576475886 335209174 /nfs/dbraw/zinc/20/91/74/335209174.db2.gz PDHCJFWVBXGSCQ-KBPBESRZSA-N 2 2 294.395 0.388 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000576632793 335227960 /nfs/dbraw/zinc/22/79/60/335227960.db2.gz ASYIEPUAYJLMDZ-UHFFFAOYSA-N 2 2 292.383 0.644 20 0 CCADLP Cc1ncc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cn1 ZINC000576765126 335245389 /nfs/dbraw/zinc/24/53/89/335245389.db2.gz GAQPNQFUJNBAIY-UHFFFAOYSA-N 2 2 258.329 0.830 20 0 CCADLP C[NH+](C)[C@@]1(CNC(=O)C[NH+]2CC(C)(C)C2)CCSC1 ZINC000576765353 335245560 /nfs/dbraw/zinc/24/55/60/335245560.db2.gz HQDVWCMZKDXIPG-CQSZACIVSA-N 2 2 285.457 0.882 20 0 CCADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000576955828 335269714 /nfs/dbraw/zinc/26/97/14/335269714.db2.gz PQGFTWZGFJORMG-NWDGAFQWSA-N 2 2 253.390 0.879 20 0 CCADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000576955828 335269716 /nfs/dbraw/zinc/26/97/16/335269716.db2.gz PQGFTWZGFJORMG-NWDGAFQWSA-N 2 2 253.390 0.879 20 0 CCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000576955830 335269792 /nfs/dbraw/zinc/26/97/92/335269792.db2.gz PQGFTWZGFJORMG-VXGBXAGGSA-N 2 2 253.390 0.879 20 0 CCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000576955830 335269793 /nfs/dbraw/zinc/26/97/93/335269793.db2.gz PQGFTWZGFJORMG-VXGBXAGGSA-N 2 2 253.390 0.879 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC(=O)NCCc1ccccc1 ZINC000580550993 335278616 /nfs/dbraw/zinc/27/86/16/335278616.db2.gz NZGMPANETCECHM-UKRRQHHQSA-N 2 2 275.396 0.933 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCSC[C@@H]1C[NH+](C)CCO1 ZINC000580563222 335286515 /nfs/dbraw/zinc/28/65/15/335286515.db2.gz IKPNSFDRMCLBBZ-STQMWFEESA-N 2 2 274.430 0.771 20 0 CCADLP C[C@H]1COCC[N@H+]1CCSC[C@@H]1C[NH+](C)CCO1 ZINC000580563222 335286517 /nfs/dbraw/zinc/28/65/17/335286517.db2.gz IKPNSFDRMCLBBZ-STQMWFEESA-N 2 2 274.430 0.771 20 0 CCADLP C[C@H]1COCC[NH+]1CCSC[C@@H]1C[N@H+](C)CCO1 ZINC000580563222 335286519 /nfs/dbraw/zinc/28/65/19/335286519.db2.gz IKPNSFDRMCLBBZ-STQMWFEESA-N 2 2 274.430 0.771 20 0 CCADLP C[C@H]1COCC[NH+]1CCSC[C@@H]1C[N@@H+](C)CCO1 ZINC000580563222 335286520 /nfs/dbraw/zinc/28/65/20/335286520.db2.gz IKPNSFDRMCLBBZ-STQMWFEESA-N 2 2 274.430 0.771 20 0 CCADLP CCOC1(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CCCC1 ZINC000577047519 335289623 /nfs/dbraw/zinc/28/96/23/335289623.db2.gz FBLBYBHXLNRGEE-ZDUSSCGKSA-N 2 2 298.431 0.620 20 0 CCADLP CCOC1(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CCCC1 ZINC000577047519 335289625 /nfs/dbraw/zinc/28/96/25/335289625.db2.gz FBLBYBHXLNRGEE-ZDUSSCGKSA-N 2 2 298.431 0.620 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000577060108 335293163 /nfs/dbraw/zinc/29/31/63/335293163.db2.gz HQAKICVKYQUEKN-WPRPVWTQSA-N 2 2 256.375 0.599 20 0 CCADLP O[C@H](C[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)Cn1cccn1 ZINC000577098731 335299458 /nfs/dbraw/zinc/29/94/58/335299458.db2.gz GPYPOBUNKCXKMJ-LSDHHAIUSA-N 2 2 278.400 0.851 20 0 CCADLP O[C@H](C[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)Cn1cccn1 ZINC000577098731 335299459 /nfs/dbraw/zinc/29/94/59/335299459.db2.gz GPYPOBUNKCXKMJ-LSDHHAIUSA-N 2 2 278.400 0.851 20 0 CCADLP CCC(CC)CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000577486139 335357618 /nfs/dbraw/zinc/35/76/18/335357618.db2.gz BVORBFVBYFPQKV-GFCCVEGCSA-N 2 2 256.394 0.707 20 0 CCADLP CCC(CC)CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000577486139 335357619 /nfs/dbraw/zinc/35/76/19/335357619.db2.gz BVORBFVBYFPQKV-GFCCVEGCSA-N 2 2 256.394 0.707 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000577830988 335407898 /nfs/dbraw/zinc/40/78/98/335407898.db2.gz MHLQQNDKQFAQEU-GFCCVEGCSA-N 2 2 291.399 0.946 20 0 CCADLP C[C@H](C(=O)N(C)Cc1[nH+]ccn1C)[NH+]1CC(C)C1 ZINC000579001669 335698533 /nfs/dbraw/zinc/69/85/33/335698533.db2.gz KKAMVXIWFJIOLY-LLVKDONJSA-N 2 2 250.346 0.719 20 0 CCADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000579115008 335711074 /nfs/dbraw/zinc/71/10/74/335711074.db2.gz HNCMVCFUADAFRF-GFCCVEGCSA-N 2 2 298.350 0.629 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)c1cnccn1)[C@@H]1CCCC[NH2+]1 ZINC000581005768 335994785 /nfs/dbraw/zinc/99/47/85/335994785.db2.gz IQDRELNMJHFARK-RYUDHWBXSA-N 2 2 277.372 0.327 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCCc3occc32)[C@@H](C[NH3+])C1 ZINC000581180390 336019883 /nfs/dbraw/zinc/01/98/83/336019883.db2.gz GCNMMXMWKAEEHG-AAEUAGOBSA-N 2 2 292.383 0.941 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@H]2CCCc3occc32)[C@@H](C[NH3+])C1 ZINC000581180390 336019885 /nfs/dbraw/zinc/01/98/85/336019885.db2.gz GCNMMXMWKAEEHG-AAEUAGOBSA-N 2 2 292.383 0.941 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000581207103 336024989 /nfs/dbraw/zinc/02/49/89/336024989.db2.gz ZGPQEIXAESCKMA-AGIUHOORSA-N 2 2 289.445 0.340 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000581207103 336024990 /nfs/dbraw/zinc/02/49/90/336024990.db2.gz ZGPQEIXAESCKMA-AGIUHOORSA-N 2 2 289.445 0.340 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCn1nc2ccccn2c1=O ZINC000581479201 336086506 /nfs/dbraw/zinc/08/65/06/336086506.db2.gz JLJOETIABRVBST-DYEKYZERSA-N 2 2 289.383 0.472 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCn1nc2ccccn2c1=O ZINC000581479202 336086519 /nfs/dbraw/zinc/08/65/19/336086519.db2.gz JLJOETIABRVBST-MBNYWOFBSA-N 2 2 289.383 0.472 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCn1nc2ccccn2c1=O ZINC000581479203 336086640 /nfs/dbraw/zinc/08/66/40/336086640.db2.gz JLJOETIABRVBST-YRGRVCCFSA-N 2 2 289.383 0.472 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000383645579 336116236 /nfs/dbraw/zinc/11/62/36/336116236.db2.gz OLRCSIOJOTXIGW-SWLSCSKDSA-N 2 2 282.384 0.982 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000383645579 336116238 /nfs/dbraw/zinc/11/62/38/336116238.db2.gz OLRCSIOJOTXIGW-SWLSCSKDSA-N 2 2 282.384 0.982 20 0 CCADLP Cn1cc[nH+]c1[C@H](NC(=O)[C@H]1CC[NH2+]1)c1ccccc1 ZINC000384795705 336131525 /nfs/dbraw/zinc/13/15/25/336131525.db2.gz XWVRZCOZGGZCTH-CHWSQXEVSA-N 2 2 270.336 0.988 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]([NH3+])c2ccccc2)CCO1 ZINC000581886828 336160360 /nfs/dbraw/zinc/16/03/60/336160360.db2.gz SYAKXTNEWRSGOR-OCCSQVGLSA-N 2 2 277.368 0.523 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]([NH3+])c2ccccc2)CCO1 ZINC000581886828 336160361 /nfs/dbraw/zinc/16/03/61/336160361.db2.gz SYAKXTNEWRSGOR-OCCSQVGLSA-N 2 2 277.368 0.523 20 0 CCADLP Cc1c[nH+]c(C)nc1N1CCC([N@H+](C)CCO)CC1 ZINC000581894884 336162097 /nfs/dbraw/zinc/16/20/97/336162097.db2.gz KVMSCPPJBGKOGD-UHFFFAOYSA-N 2 2 264.373 0.986 20 0 CCADLP Cc1c[nH+]c(C)nc1N1CCC([N@@H+](C)CCO)CC1 ZINC000581894884 336162099 /nfs/dbraw/zinc/16/20/99/336162099.db2.gz KVMSCPPJBGKOGD-UHFFFAOYSA-N 2 2 264.373 0.986 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000386345264 336171116 /nfs/dbraw/zinc/17/11/16/336171116.db2.gz MEJOTVXOXRDZCR-YPMHNXCESA-N 3 2 252.362 0.316 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000386345264 336171118 /nfs/dbraw/zinc/17/11/18/336171118.db2.gz MEJOTVXOXRDZCR-YPMHNXCESA-N 3 2 252.362 0.316 20 0 CCADLP COCc1noc([C@H](C)[N@@H+]2CCC[C@H](C[NH3+])C2)n1 ZINC000582003480 336189088 /nfs/dbraw/zinc/18/90/88/336189088.db2.gz LCPSMFSDNOEABT-VHSXEESVSA-N 2 2 254.334 0.948 20 0 CCADLP COCc1noc([C@H](C)[N@H+]2CCC[C@H](C[NH3+])C2)n1 ZINC000582003480 336189090 /nfs/dbraw/zinc/18/90/90/336189090.db2.gz LCPSMFSDNOEABT-VHSXEESVSA-N 2 2 254.334 0.948 20 0 CCADLP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCO2)cn1 ZINC000423558984 533760580 /nfs/dbraw/zinc/76/05/80/533760580.db2.gz IZZCXWRLJNGPEA-YPMHNXCESA-N 2 2 265.357 0.599 20 0 CCADLP C[C@@H](O)[C@@H]1CCN(c2cc(NCC[NH+](C)C)nc[nH+]2)C1 ZINC000413025622 533805915 /nfs/dbraw/zinc/80/59/15/533805915.db2.gz REVSWKGJBKXZBH-VXGBXAGGSA-N 2 2 279.388 0.657 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000430724888 545094797 /nfs/dbraw/zinc/09/47/97/545094797.db2.gz RXKHPOLYLAGGOR-RVMXOQNASA-N 2 2 269.389 0.339 20 0 CCADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)[C@H]1CCCO1 ZINC000453273772 533906070 /nfs/dbraw/zinc/90/60/70/533906070.db2.gz VZDSBHDBFDACAR-BFHYXJOUSA-N 2 2 256.390 0.990 20 0 CCADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)[C@H]1CCCO1 ZINC000453273772 533906078 /nfs/dbraw/zinc/90/60/78/533906078.db2.gz VZDSBHDBFDACAR-BFHYXJOUSA-N 2 2 256.390 0.990 20 0 CCADLP CS[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)C[C@H]1[NH+](C)C ZINC000493532361 534007976 /nfs/dbraw/zinc/00/79/76/534007976.db2.gz WAERDYBXVNILOW-XKFHPXPTSA-N 2 2 280.397 0.927 20 0 CCADLP OCCC[N@@H+]1CCC[C@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000449397126 534360497 /nfs/dbraw/zinc/36/04/97/534360497.db2.gz OHWAJNDQSDJPAI-KGLIPLIRSA-N 2 2 256.390 0.849 20 0 CCADLP OCCC[N@H+]1CCC[C@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000449397126 534360502 /nfs/dbraw/zinc/36/05/02/534360502.db2.gz OHWAJNDQSDJPAI-KGLIPLIRSA-N 2 2 256.390 0.849 20 0 CCADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]CC[C@H]1CCOC1 ZINC000449386728 534362025 /nfs/dbraw/zinc/36/20/25/534362025.db2.gz JIKVQTNUIZLLQU-KBPBESRZSA-N 2 2 256.390 0.849 20 0 CCADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]CC[C@H]1CCOC1 ZINC000449386728 534362030 /nfs/dbraw/zinc/36/20/30/534362030.db2.gz JIKVQTNUIZLLQU-KBPBESRZSA-N 2 2 256.390 0.849 20 0 CCADLP CCO[C@H]1C[C@]([NH3+])(C(=O)NCCn2cc[nH+]c2)C1(C)C ZINC000157099047 520585983 /nfs/dbraw/zinc/58/59/83/520585983.db2.gz YTODBBADPKXKBS-FZMZJTMJSA-N 2 2 280.372 0.532 20 0 CCADLP Cc1nsc(N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000431100502 534507624 /nfs/dbraw/zinc/50/76/24/534507624.db2.gz VIGGKVNUGBYPPM-GFCCVEGCSA-N 2 2 281.429 0.968 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000366346732 522372164 /nfs/dbraw/zinc/37/21/64/522372164.db2.gz LZCMBWDGARFDIQ-ZDUSSCGKSA-N 2 2 266.320 0.465 20 0 CCADLP COCCCNC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000157359664 523326997 /nfs/dbraw/zinc/32/69/97/523326997.db2.gz DFDCCMFNSCCXEJ-CQSZACIVSA-N 2 2 283.416 0.557 20 0 CCADLP COCCCNC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000157359664 523327009 /nfs/dbraw/zinc/32/70/09/523327009.db2.gz DFDCCMFNSCCXEJ-CQSZACIVSA-N 2 2 283.416 0.557 20 0 CCADLP Cc1ncc(C[NH+]2CCN(C(=O)[C@@H]3C[C@@H]3[NH3+])CC2)s1 ZINC000424140918 534735318 /nfs/dbraw/zinc/73/53/18/534735318.db2.gz GAOLLFXBDDLOAE-NEPJUHHUSA-N 2 2 280.397 0.443 20 0 CCADLP COCCOCC[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000183767715 524001689 /nfs/dbraw/zinc/00/16/89/524001689.db2.gz RCKWJEGVYQAZHD-UHFFFAOYSA-N 2 2 280.372 0.570 20 0 CCADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccncc1F ZINC000340361601 525509173 /nfs/dbraw/zinc/50/91/73/525509173.db2.gz XXASXEQKRCHQCY-ZWNOBZJWSA-N 2 2 253.321 0.938 20 0 CCADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccncc1F ZINC000340361601 525509183 /nfs/dbraw/zinc/50/91/83/525509183.db2.gz XXASXEQKRCHQCY-ZWNOBZJWSA-N 2 2 253.321 0.938 20 0 CCADLP C[C@H](CC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)[C@@H]1CCC[NH2+]C1 ZINC000156202521 526241024 /nfs/dbraw/zinc/24/10/24/526241024.db2.gz LAHWNZRQRZZKDE-RBSFLKMASA-N 2 2 296.459 0.374 20 0 CCADLP C[C@H](CC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)[C@@H]1CCC[NH2+]C1 ZINC000156202521 526241027 /nfs/dbraw/zinc/24/10/27/526241027.db2.gz LAHWNZRQRZZKDE-RBSFLKMASA-N 2 2 296.459 0.374 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(CCn2cc[nH+]c2C)[C@@H](C)C1 ZINC000342183631 536455166 /nfs/dbraw/zinc/45/51/66/536455166.db2.gz TVWUAHGEFPVTRA-ZDUSSCGKSA-N 2 2 294.399 0.761 20 0 CCADLP COC(=O)CC[N@H+]1CCN(CCn2cc[nH+]c2C)[C@@H](C)C1 ZINC000342183631 536455169 /nfs/dbraw/zinc/45/51/69/536455169.db2.gz TVWUAHGEFPVTRA-ZDUSSCGKSA-N 2 2 294.399 0.761 20 0 CCADLP COC(=O)CCN1CC[N@H+](CCn2cc[nH+]c2C)[C@@H](C)C1 ZINC000342183631 536455173 /nfs/dbraw/zinc/45/51/73/536455173.db2.gz TVWUAHGEFPVTRA-ZDUSSCGKSA-N 2 2 294.399 0.761 20 0 CCADLP COC(=O)CCN1CC[N@@H+](CCn2cc[nH+]c2C)[C@@H](C)C1 ZINC000342183631 536455177 /nfs/dbraw/zinc/45/51/77/536455177.db2.gz TVWUAHGEFPVTRA-ZDUSSCGKSA-N 2 2 294.399 0.761 20 0 CCADLP Cc1nc(N2CC[N@@H+](C)[C@H](C)[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000356797961 526947791 /nfs/dbraw/zinc/94/77/91/526947791.db2.gz RANFJYBJCAQZDL-ZJUUUORDSA-N 2 2 264.377 0.775 20 0 CCADLP Cc1nc(N2CC[N@H+](C)[C@H](C)[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000356797961 526947798 /nfs/dbraw/zinc/94/77/98/526947798.db2.gz RANFJYBJCAQZDL-ZJUUUORDSA-N 2 2 264.377 0.775 20 0 CCADLP COc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000666804553 545131435 /nfs/dbraw/zinc/13/14/35/545131435.db2.gz SIJAZXBQLRYQAC-NSHDSACASA-N 2 2 279.344 0.197 20 0 CCADLP COc1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000666804553 545131436 /nfs/dbraw/zinc/13/14/36/545131436.db2.gz SIJAZXBQLRYQAC-NSHDSACASA-N 2 2 279.344 0.197 20 0 CCADLP CC(C)(CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+])[NH+]1CCOCC1 ZINC000424456811 527140541 /nfs/dbraw/zinc/14/05/41/527140541.db2.gz XUMFAVMXYQVPCH-CHWSQXEVSA-N 2 2 298.431 0.666 20 0 CCADLP C[N@@H+]1CCN(C(=O)Nc2cnc(C3CC3)nc2)[C@@H](C[NH3+])C1 ZINC000667061978 545138046 /nfs/dbraw/zinc/13/80/46/545138046.db2.gz FZKFLZPMGPRFJC-LBPRGKRZSA-N 2 2 290.371 0.461 20 0 CCADLP C[N@H+]1CCN(C(=O)Nc2cnc(C3CC3)nc2)[C@@H](C[NH3+])C1 ZINC000667061978 545138047 /nfs/dbraw/zinc/13/80/47/545138047.db2.gz FZKFLZPMGPRFJC-LBPRGKRZSA-N 2 2 290.371 0.461 20 0 CCADLP COCC[NH+]1CCN(C(=O)N[C@H](C)c2[nH+]ccn2C)CC1 ZINC000667257662 545142802 /nfs/dbraw/zinc/14/28/02/545142802.db2.gz RQBOQRDKLOWFKM-GFCCVEGCSA-N 2 2 295.387 0.455 20 0 CCADLP CC(C)([NH3+])CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000418428786 527247466 /nfs/dbraw/zinc/24/74/66/527247466.db2.gz MXQBIFLUZODVOI-UHFFFAOYSA-N 2 2 291.399 0.646 20 0 CCADLP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667512481 545148783 /nfs/dbraw/zinc/14/87/83/545148783.db2.gz GRGGPIFDTAQJBA-MNOVXSKESA-N 2 2 262.357 0.915 20 0 CCADLP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667512481 545148784 /nfs/dbraw/zinc/14/87/84/545148784.db2.gz GRGGPIFDTAQJBA-MNOVXSKESA-N 2 2 262.357 0.915 20 0 CCADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C(C)(F)F ZINC000667654401 545152711 /nfs/dbraw/zinc/15/27/11/545152711.db2.gz XGSFRPITQSLJNI-DTWKUNHWSA-N 2 2 264.320 0.314 20 0 CCADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C(C)(F)F ZINC000667654401 545152712 /nfs/dbraw/zinc/15/27/12/545152712.db2.gz XGSFRPITQSLJNI-DTWKUNHWSA-N 2 2 264.320 0.314 20 0 CCADLP Cc1[nH+]cc(CN2CC[N@H+](CCO)C(C)(C)C2)n1C ZINC000668030085 545161865 /nfs/dbraw/zinc/16/18/65/545161865.db2.gz JXNHPIQYJXBCJQ-UHFFFAOYSA-N 2 2 266.389 0.617 20 0 CCADLP Cc1[nH+]cc(CN2CC[N@@H+](CCO)C(C)(C)C2)n1C ZINC000668030085 545161866 /nfs/dbraw/zinc/16/18/66/545161866.db2.gz JXNHPIQYJXBCJQ-UHFFFAOYSA-N 2 2 266.389 0.617 20 0 CCADLP COC1(CO)CC[NH+](Cc2c[nH+]c(C)n2C)CC1 ZINC000668074499 545162670 /nfs/dbraw/zinc/16/26/70/545162670.db2.gz WDLKTBWDDRBPDM-UHFFFAOYSA-N 2 2 253.346 0.702 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCn2cncn2)C1 ZINC000365662943 527468794 /nfs/dbraw/zinc/46/87/94/527468794.db2.gz KMAOUYXKNPRALQ-LBPRGKRZSA-N 2 2 260.345 0.891 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCn2cncn2)C1 ZINC000365662943 527468802 /nfs/dbraw/zinc/46/88/02/527468802.db2.gz KMAOUYXKNPRALQ-LBPRGKRZSA-N 2 2 260.345 0.891 20 0 CCADLP COCCN(CC[NH+](C)C)Cc1c[nH+]c2n1CCC2 ZINC000668162209 545165893 /nfs/dbraw/zinc/16/58/93/545165893.db2.gz RLEKVEKDDGPXAU-UHFFFAOYSA-N 2 2 266.389 0.839 20 0 CCADLP Cc1[nH+]cc(C[N@@H+](CCO)[C@H]2CCO[C@@H]2C)n1C ZINC000668225403 545168235 /nfs/dbraw/zinc/16/82/35/545168235.db2.gz LULMPFACPOYKAV-MFKMUULPSA-N 2 2 253.346 0.700 20 0 CCADLP Cc1[nH+]cc(C[N@H+](CCO)[C@H]2CCO[C@@H]2C)n1C ZINC000668225403 545168236 /nfs/dbraw/zinc/16/82/36/545168236.db2.gz LULMPFACPOYKAV-MFKMUULPSA-N 2 2 253.346 0.700 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1 ZINC000668623231 545184227 /nfs/dbraw/zinc/18/42/27/545184227.db2.gz BWRCAOYYKCMTOK-CQSZACIVSA-N 3 2 297.447 0.144 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1 ZINC000668623231 545184228 /nfs/dbraw/zinc/18/42/28/545184228.db2.gz BWRCAOYYKCMTOK-CQSZACIVSA-N 3 2 297.447 0.144 20 0 CCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000668793114 545190892 /nfs/dbraw/zinc/19/08/92/545190892.db2.gz IVXCWBXFGDBYIO-JYAVWHMHSA-N 2 2 299.378 0.862 20 0 CCADLP CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)CC1CCC1 ZINC000361488132 527897161 /nfs/dbraw/zinc/89/71/61/527897161.db2.gz XZDOQUMLVDTKQL-UHFFFAOYSA-N 2 2 253.390 0.882 20 0 CCADLP CC[N@H+](CC(=O)N1CC[NH+](C)CC1)CC1CCC1 ZINC000361488132 527897166 /nfs/dbraw/zinc/89/71/66/527897166.db2.gz XZDOQUMLVDTKQL-UHFFFAOYSA-N 2 2 253.390 0.882 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492813954 528011841 /nfs/dbraw/zinc/01/18/41/528011841.db2.gz RIMVIPOAFKVEOR-NQHOJNORSA-N 2 2 292.383 0.896 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492813954 528011849 /nfs/dbraw/zinc/01/18/49/528011849.db2.gz RIMVIPOAFKVEOR-NQHOJNORSA-N 2 2 292.383 0.896 20 0 CCADLP CC[C@@H]1CN(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC[C@@H]1[NH3+] ZINC000669323352 545205470 /nfs/dbraw/zinc/20/54/70/545205470.db2.gz YEQSRHSWRBSKLZ-MCIONIFRSA-N 2 2 298.431 0.476 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2Cc3ccccc32)[C@@H](C[NH3+])C1 ZINC000669404466 545207593 /nfs/dbraw/zinc/20/75/93/545207593.db2.gz WFHWSEQYQSRAAF-KBPBESRZSA-N 2 2 288.395 0.611 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@@H]2Cc3ccccc32)[C@@H](C[NH3+])C1 ZINC000669404466 545207594 /nfs/dbraw/zinc/20/75/94/545207594.db2.gz WFHWSEQYQSRAAF-KBPBESRZSA-N 2 2 288.395 0.611 20 0 CCADLP C[C@@H](NC(=O)NCC[NH2+]C1CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000669463918 545208967 /nfs/dbraw/zinc/20/89/67/545208967.db2.gz CVNNQIBOXOTUKB-VXGBXAGGSA-N 2 2 284.404 0.147 20 0 CCADLP Cc1cccn2cc(CCNC(=O)N3CC[NH2+]CC3)[nH+]c12 ZINC000669511746 545211447 /nfs/dbraw/zinc/21/14/47/545211447.db2.gz DEWNGIKHOBPYBP-UHFFFAOYSA-N 2 2 287.367 0.800 20 0 CCADLP CC(C)C[C@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000669541276 545213905 /nfs/dbraw/zinc/21/39/05/545213905.db2.gz DTCKLIHRLVRLSQ-NWDGAFQWSA-N 2 2 256.394 0.705 20 0 CCADLP CC(C)C[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000669541276 545213906 /nfs/dbraw/zinc/21/39/06/545213906.db2.gz DTCKLIHRLVRLSQ-NWDGAFQWSA-N 2 2 256.394 0.705 20 0 CCADLP [NH3+]C1(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCC1 ZINC000669542812 545214056 /nfs/dbraw/zinc/21/40/56/545214056.db2.gz KTLLKNMHBOGVDD-LBPRGKRZSA-N 2 2 289.383 0.841 20 0 CCADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])[C@H]1CCCCO1 ZINC000669553741 545214519 /nfs/dbraw/zinc/21/45/19/545214519.db2.gz XZWJZUASEJLFDE-YNEHKIRRSA-N 2 2 284.404 0.228 20 0 CCADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])[C@H]1CCCCO1 ZINC000669553741 545214520 /nfs/dbraw/zinc/21/45/20/545214520.db2.gz XZWJZUASEJLFDE-YNEHKIRRSA-N 2 2 284.404 0.228 20 0 CCADLP CCC(=O)CCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000450498619 528287090 /nfs/dbraw/zinc/28/70/90/528287090.db2.gz GNINJJOAOVASCJ-OAHLLOKOSA-N 2 2 295.427 0.984 20 0 CCADLP CCC(=O)CCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000450498619 528287099 /nfs/dbraw/zinc/28/70/99/528287099.db2.gz GNINJJOAOVASCJ-OAHLLOKOSA-N 2 2 295.427 0.984 20 0 CCADLP CC[NH2+]CCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000417926966 528321791 /nfs/dbraw/zinc/32/17/91/528321791.db2.gz PLJGVTLGTNXQPX-GFCCVEGCSA-N 2 2 277.372 0.569 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423550412 528474665 /nfs/dbraw/zinc/47/46/65/528474665.db2.gz IJVCLXPJCLGDRY-ZBFHGGJFSA-N 2 2 295.427 0.699 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423550412 528474667 /nfs/dbraw/zinc/47/46/67/528474667.db2.gz IJVCLXPJCLGDRY-ZBFHGGJFSA-N 2 2 295.427 0.699 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423627827 528478617 /nfs/dbraw/zinc/47/86/17/528478617.db2.gz VDZHFPDQOZOSFL-MGPQQGTHSA-N 2 2 283.416 0.744 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423627827 528478619 /nfs/dbraw/zinc/47/86/19/528478619.db2.gz VDZHFPDQOZOSFL-MGPQQGTHSA-N 2 2 283.416 0.744 20 0 CCADLP CC[N@H+](CCNc1cc(NC[C@H](C)O)[nH+]cn1)C(C)C ZINC000413117019 528518078 /nfs/dbraw/zinc/51/80/78/528518078.db2.gz QUFVAVGIUHJQSU-LBPRGKRZSA-N 2 2 281.404 0.833 20 0 CCADLP CC[N@@H+](CCNc1cc(NC[C@H](C)O)[nH+]cn1)C(C)C ZINC000413117019 528518081 /nfs/dbraw/zinc/51/80/81/528518081.db2.gz QUFVAVGIUHJQSU-LBPRGKRZSA-N 2 2 281.404 0.833 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000449118316 528533493 /nfs/dbraw/zinc/53/34/93/528533493.db2.gz XQHNZRAZXZCAHI-LBPRGKRZSA-N 2 2 257.378 0.165 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449647963 528550072 /nfs/dbraw/zinc/55/00/72/528550072.db2.gz QZGYAVRCSAJKAW-ZJUUUORDSA-N 2 2 263.332 0.721 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000449143193 528551291 /nfs/dbraw/zinc/55/12/91/528551291.db2.gz PLWSMIPDWMBVER-CHWSQXEVSA-N 2 2 299.415 0.470 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000449087781 528555124 /nfs/dbraw/zinc/55/51/24/528555124.db2.gz WQZUABQTZHJWBZ-NWDGAFQWSA-N 2 2 257.378 0.211 20 0 CCADLP CN(C(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)C1CC1 ZINC000670986095 545240886 /nfs/dbraw/zinc/24/08/86/545240886.db2.gz PSRPXDOINXMMPE-OAHLLOKOSA-N 2 2 295.427 0.794 20 0 CCADLP CN(C(=O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)C1CC1 ZINC000670986095 545240887 /nfs/dbraw/zinc/24/08/87/545240887.db2.gz PSRPXDOINXMMPE-OAHLLOKOSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]CCC2CS(=O)(=O)C2)[C@H]2CCC[C@H]21 ZINC000671761982 545259587 /nfs/dbraw/zinc/25/95/87/545259587.db2.gz OIFONRGYDVCYNS-HZSPNIEDSA-N 2 2 286.441 0.884 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]CCC2CS(=O)(=O)C2)[C@H]2CCC[C@H]21 ZINC000671761982 545259588 /nfs/dbraw/zinc/25/95/88/545259588.db2.gz OIFONRGYDVCYNS-HZSPNIEDSA-N 2 2 286.441 0.884 20 0 CCADLP CCCC[C@@H]([NH3+])C(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000423882333 528833359 /nfs/dbraw/zinc/83/33/59/528833359.db2.gz WZHDSTJXXDHLEL-CHWSQXEVSA-N 2 2 293.415 0.753 20 0 CCADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCC[NH+]1CCOCC1 ZINC000416433523 529043249 /nfs/dbraw/zinc/04/32/49/529043249.db2.gz PSJSBPPMDWUEQH-CYBMUJFWSA-N 2 2 286.420 0.333 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000423675187 529127047 /nfs/dbraw/zinc/12/70/47/529127047.db2.gz ICOMTDRWQINHRH-OLZOCXBDSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000423675187 529127048 /nfs/dbraw/zinc/12/70/48/529127048.db2.gz ICOMTDRWQINHRH-OLZOCXBDSA-N 2 2 298.431 0.029 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[N@H+](CCC(=O)OC)[C@H](C)C1 ZINC000423900126 529213755 /nfs/dbraw/zinc/21/37/55/529213755.db2.gz RIUORDCJZLPWSL-OUCADQQQSA-N 2 2 299.415 0.456 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[N@@H+](CCC(=O)OC)[C@H](C)C1 ZINC000423900126 529213756 /nfs/dbraw/zinc/21/37/56/529213756.db2.gz RIUORDCJZLPWSL-OUCADQQQSA-N 2 2 299.415 0.456 20 0 CCADLP CC[NH+]1CCN(CC(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000673668203 545290535 /nfs/dbraw/zinc/29/05/35/545290535.db2.gz HZMSTPCEUQQNMX-UHFFFAOYSA-N 2 2 287.367 0.910 20 0 CCADLP CC[C@H](C[NH+]1CCN(Cc2[nH+]ccn2C)CC1)OC ZINC000412980353 529335917 /nfs/dbraw/zinc/33/59/17/529335917.db2.gz XAVSKYDNYJFYGX-CYBMUJFWSA-N 2 2 266.389 0.963 20 0 CCADLP CC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000456524764 529354403 /nfs/dbraw/zinc/35/44/03/529354403.db2.gz GQBWNWYDHUVNCS-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000456524764 529354405 /nfs/dbraw/zinc/35/44/05/529354405.db2.gz GQBWNWYDHUVNCS-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP COC1CC[NH+](CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC000674325430 545304462 /nfs/dbraw/zinc/30/44/62/545304462.db2.gz PXQAILNGAXCDNE-UHFFFAOYSA-N 2 2 266.345 0.110 20 0 CCADLP CC(C)n1cc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000261644103 535059857 /nfs/dbraw/zinc/05/98/57/535059857.db2.gz COYJVEKVZJQTHG-OAHLLOKOSA-N 2 2 277.416 0.944 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)N(C)Cc1cnn(C)c1 ZINC000517747595 535063180 /nfs/dbraw/zinc/06/31/80/535063180.db2.gz YQYHFLVOQPIMLV-CQSZACIVSA-N 2 2 295.431 0.684 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)N(C)Cc1cnn(C)c1 ZINC000517747595 535063188 /nfs/dbraw/zinc/06/31/88/535063188.db2.gz YQYHFLVOQPIMLV-CQSZACIVSA-N 2 2 295.431 0.684 20 0 CCADLP OCC1(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)COC1 ZINC000674907219 545318432 /nfs/dbraw/zinc/31/84/32/545318432.db2.gz RAKXOXKWUWICMI-LBPRGKRZSA-N 2 2 251.330 0.529 20 0 CCADLP OCC1(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)COC1 ZINC000674907219 545318433 /nfs/dbraw/zinc/31/84/33/545318433.db2.gz RAKXOXKWUWICMI-LBPRGKRZSA-N 2 2 251.330 0.529 20 0 CCADLP CCCN(CCC[NH+](C)C)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000347937667 535330210 /nfs/dbraw/zinc/33/02/10/535330210.db2.gz DWABMMWJDCELMU-CQSZACIVSA-N 2 2 285.432 0.897 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)C2([NH3+])CCCCC2)CCO1 ZINC000263291046 535355089 /nfs/dbraw/zinc/35/50/89/535355089.db2.gz WJDHCDBAJCPMDK-UHFFFAOYSA-N 2 2 283.416 0.875 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC000675621201 545329354 /nfs/dbraw/zinc/32/93/54/545329354.db2.gz ARZSESPFKLXMRB-CQSZACIVSA-N 2 2 294.399 0.738 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346852773 535490420 /nfs/dbraw/zinc/49/04/20/535490420.db2.gz XJTGGSLQMQGMSY-HNNXBMFYSA-N 3 2 296.459 0.472 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263175487 535508390 /nfs/dbraw/zinc/50/83/90/535508390.db2.gz GDOWGZUUXPAMBB-WDEREUQCSA-N 2 2 275.343 0.974 20 0 CCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263175487 535508391 /nfs/dbraw/zinc/50/83/91/535508391.db2.gz GDOWGZUUXPAMBB-WDEREUQCSA-N 2 2 275.343 0.974 20 0 CCADLP C[C@H](Nc1[nH+]cnc2c1cnn2C)[C@H]1C[N@H+](C)CCO1 ZINC000676315176 545341387 /nfs/dbraw/zinc/34/13/87/545341387.db2.gz ZCGVANZLMVTHAJ-GXSJLCMTSA-N 2 2 276.344 0.494 20 0 CCADLP C[C@H](Nc1[nH+]cnc2c1cnn2C)[C@H]1C[N@@H+](C)CCO1 ZINC000676315176 545341388 /nfs/dbraw/zinc/34/13/88/545341388.db2.gz ZCGVANZLMVTHAJ-GXSJLCMTSA-N 2 2 276.344 0.494 20 0 CCADLP C[C@H](C(=O)N(C)C)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000676701643 545349361 /nfs/dbraw/zinc/34/93/61/545349361.db2.gz DYCKSJUVEGYYON-ZIAGYGMSSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@H](C(=O)N(C)C)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000676701643 545349362 /nfs/dbraw/zinc/34/93/62/545349362.db2.gz DYCKSJUVEGYYON-ZIAGYGMSSA-N 2 2 282.432 0.175 20 0 CCADLP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)CS(C)(=O)=O)CC1 ZINC000341761622 535740756 /nfs/dbraw/zinc/74/07/56/535740756.db2.gz RMVPVFSMAPTGBN-CHWSQXEVSA-N 2 2 291.461 0.035 20 0 CCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCOCC2)C1 ZINC000362470318 535754976 /nfs/dbraw/zinc/75/49/76/535754976.db2.gz VNVDPBAPLBMDCE-UONOGXRCSA-N 2 2 283.416 0.507 20 0 CCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCOCC2)C1 ZINC000362470318 535754978 /nfs/dbraw/zinc/75/49/78/535754978.db2.gz VNVDPBAPLBMDCE-UONOGXRCSA-N 2 2 283.416 0.507 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]CC2(C(N)=O)CCCC2)[C@@H](C)C1 ZINC000347834488 535783440 /nfs/dbraw/zinc/78/34/40/535783440.db2.gz QIXNFPJLZOWFCV-RYUDHWBXSA-N 2 2 253.390 0.962 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]CC2(C(N)=O)CCCC2)[C@@H](C)C1 ZINC000347834488 535783442 /nfs/dbraw/zinc/78/34/42/535783442.db2.gz QIXNFPJLZOWFCV-RYUDHWBXSA-N 2 2 253.390 0.962 20 0 CCADLP Cn1cc[nH+]c1[C@@H](NC(=O)NCC[NH+](C)C)C1CC1 ZINC000357795183 535886142 /nfs/dbraw/zinc/88/61/42/535886142.db2.gz JWTWQSAXXNUIGU-NSHDSACASA-N 2 2 265.361 0.732 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+](C)CCN1CCCS1(=O)=O ZINC000677983799 545380118 /nfs/dbraw/zinc/38/01/18/545380118.db2.gz HVZFPNVDBKHXDK-UHFFFAOYSA-N 2 2 286.401 0.159 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+](C)CCN1CCCS1(=O)=O ZINC000677983799 545380119 /nfs/dbraw/zinc/38/01/19/545380119.db2.gz HVZFPNVDBKHXDK-UHFFFAOYSA-N 2 2 286.401 0.159 20 0 CCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000349627360 536302611 /nfs/dbraw/zinc/30/26/11/536302611.db2.gz CKMZRXQBKQYXHN-OLZOCXBDSA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000349627360 536302613 /nfs/dbraw/zinc/30/26/13/536302613.db2.gz CKMZRXQBKQYXHN-OLZOCXBDSA-N 2 2 297.399 0.176 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000678715616 545396687 /nfs/dbraw/zinc/39/66/87/545396687.db2.gz ZXXARUJZNVHZQA-OAGGEKHMSA-N 2 2 297.443 0.238 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC=CCC2)CC1 ZINC000679385661 545408347 /nfs/dbraw/zinc/40/83/47/545408347.db2.gz QSWBGEHNIJYRAY-UHFFFAOYSA-N 2 2 280.416 0.984 20 0 CCADLP COC(=O)c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)[nH]1 ZINC000357138457 536674650 /nfs/dbraw/zinc/67/46/50/536674650.db2.gz WXJAUVIDFXNYNX-WDEREUQCSA-N 2 2 263.341 0.843 20 0 CCADLP COC(=O)c1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)[nH]1 ZINC000357138457 536674659 /nfs/dbraw/zinc/67/46/59/536674659.db2.gz WXJAUVIDFXNYNX-WDEREUQCSA-N 2 2 263.341 0.843 20 0 CCADLP CC[NH+]1CCN(CC(=O)Nc2cc(N(C)C)cc[nH+]2)CC1 ZINC000680259471 545424338 /nfs/dbraw/zinc/42/43/38/545424338.db2.gz FKGBEPYFMXVSTA-UHFFFAOYSA-N 2 2 291.399 0.724 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000680580951 545432699 /nfs/dbraw/zinc/43/26/99/545432699.db2.gz PUSNRWMVPFBXIR-CYBMUJFWSA-N 2 2 262.357 0.943 20 0 CCADLP O=S1(=O)CC(CC[NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000682474983 545480084 /nfs/dbraw/zinc/48/00/84/545480084.db2.gz OHYPVIDGQIEHTO-UHFFFAOYSA-N 2 2 279.365 0.859 20 0 CCADLP C[C@H](Nc1nc2c(cnn2C)c(N)[nH+]1)[C@@H]1C[N@H+](C)CCO1 ZINC000683458316 545524395 /nfs/dbraw/zinc/52/43/95/545524395.db2.gz DXDUXKSQIUEMSR-WPRPVWTQSA-N 2 2 291.359 0.077 20 0 CCADLP C[C@H](Nc1nc2c(cnn2C)c(N)[nH+]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000683458316 545524401 /nfs/dbraw/zinc/52/44/01/545524401.db2.gz DXDUXKSQIUEMSR-WPRPVWTQSA-N 2 2 291.359 0.077 20 0 CCADLP Cn1c[nH+]c(CN2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000683898892 545579643 /nfs/dbraw/zinc/57/96/43/545579643.db2.gz UPSUEASFIBLWQR-CYBMUJFWSA-N 2 2 264.373 0.574 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]C[C@H]2CC2(Cl)Cl)CC1 ZINC000779339823 581181676 /nfs/dbraw/zinc/18/16/76/581181676.db2.gz FLBBPXOXBQFUMB-SECBINFHSA-N 2 2 280.199 0.544 20 0 CCADLP C[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1n1cc[nH+]c1 ZINC000788485556 581113450 /nfs/dbraw/zinc/11/34/50/581113450.db2.gz MTKXSIQRFCBTRJ-IJLUTSLNSA-N 2 2 276.340 0.571 20 0 CCADLP C[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@H]1n1cc[nH+]c1 ZINC000788485556 581113452 /nfs/dbraw/zinc/11/34/52/581113452.db2.gz MTKXSIQRFCBTRJ-IJLUTSLNSA-N 2 2 276.340 0.571 20 0 CCADLP C[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1n1cc[nH+]c1 ZINC000788485557 581113628 /nfs/dbraw/zinc/11/36/28/581113628.db2.gz MTKXSIQRFCBTRJ-UTUOFQBUSA-N 2 2 276.340 0.571 20 0 CCADLP C[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C[C@@H]1n1cc[nH+]c1 ZINC000788485557 581113630 /nfs/dbraw/zinc/11/36/30/581113630.db2.gz MTKXSIQRFCBTRJ-UTUOFQBUSA-N 2 2 276.340 0.571 20 0 CCADLP CN1CC(=O)N([C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000777652427 581128690 /nfs/dbraw/zinc/12/86/90/581128690.db2.gz MMOWQXGLOICXRM-GFCCVEGCSA-N 2 2 280.372 0.049 20 0 CCADLP CN1CC(=O)N([C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000777652427 581128692 /nfs/dbraw/zinc/12/86/92/581128692.db2.gz MMOWQXGLOICXRM-GFCCVEGCSA-N 2 2 280.372 0.049 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CC1OCCO1 ZINC000793493291 581300820 /nfs/dbraw/zinc/30/08/20/581300820.db2.gz KYZBMWWBQKLQAY-UHFFFAOYSA-N 2 2 299.415 0.234 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CC1OCCO1 ZINC000793493291 581300823 /nfs/dbraw/zinc/30/08/23/581300823.db2.gz KYZBMWWBQKLQAY-UHFFFAOYSA-N 2 2 299.415 0.234 20 0 CCADLP Cc1cc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)n(C)n1 ZINC000793523043 581302474 /nfs/dbraw/zinc/30/24/74/581302474.db2.gz OYWLZBKOVPMSKF-OLZOCXBDSA-N 2 2 266.389 0.836 20 0 CCADLP C[C@@H]1CCC[N@@H+]1CCNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000782717514 581318114 /nfs/dbraw/zinc/31/81/14/581318114.db2.gz TYQDVUMZVBNKOZ-CQSZACIVSA-N 2 2 295.427 0.842 20 0 CCADLP C[C@@H]1CCC[N@H+]1CCNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000782717514 581318115 /nfs/dbraw/zinc/31/81/15/581318115.db2.gz TYQDVUMZVBNKOZ-CQSZACIVSA-N 2 2 295.427 0.842 20 0 CCADLP O=C(NCC[N@@H+]1CCCOCC1)c1cccc2[nH+]ccn21 ZINC000783850993 581366070 /nfs/dbraw/zinc/36/60/70/581366070.db2.gz PCUBINMSRFXCCT-UHFFFAOYSA-N 2 2 288.351 0.786 20 0 CCADLP O=C(NCC[N@H+]1CCCOCC1)c1cccc2[nH+]ccn21 ZINC000783850993 581366071 /nfs/dbraw/zinc/36/60/71/581366071.db2.gz PCUBINMSRFXCCT-UHFFFAOYSA-N 2 2 288.351 0.786 20 0 CCADLP CC(C)[C@H]1CC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000796730372 581449044 /nfs/dbraw/zinc/44/90/44/581449044.db2.gz QWJSZKNQKIAPAL-CHWSQXEVSA-N 2 2 253.390 0.785 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000729518711 581601220 /nfs/dbraw/zinc/60/12/20/581601220.db2.gz RZYCSLGSFXLSQS-ZDUSSCGKSA-N 2 2 285.351 0.835 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000729518711 581601223 /nfs/dbraw/zinc/60/12/23/581601223.db2.gz RZYCSLGSFXLSQS-ZDUSSCGKSA-N 2 2 285.351 0.835 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)CN1C[C@]2(CCOC2)CC1=O ZINC000767756780 581629003 /nfs/dbraw/zinc/62/90/03/581629003.db2.gz WSYRGJXQPLPJFQ-HNNXBMFYSA-N 2 2 292.383 0.802 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)CN1C[C@]2(CCOC2)CC1=O ZINC000767756780 581629006 /nfs/dbraw/zinc/62/90/06/581629006.db2.gz WSYRGJXQPLPJFQ-HNNXBMFYSA-N 2 2 292.383 0.802 20 0 CCADLP C[C@@H]1C[N@H+](CCC2OCCO2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000767824055 581632348 /nfs/dbraw/zinc/63/23/48/581632348.db2.gz XWZSBHGPCCMNAI-CABCVRRESA-N 2 2 297.443 0.707 20 0 CCADLP C[C@@H]1C[N@@H+](CCC2OCCO2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000767824055 581632351 /nfs/dbraw/zinc/63/23/51/581632351.db2.gz XWZSBHGPCCMNAI-CABCVRRESA-N 2 2 297.443 0.707 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=S)NCC[NH+](C)C)C1 ZINC000755396141 581638833 /nfs/dbraw/zinc/63/88/33/581638833.db2.gz FNLQQWXHEUBFOC-NSHDSACASA-N 2 2 281.429 0.646 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]CCN2C(=O)c3ccccc3C2=O)C1 ZINC000756107574 581657036 /nfs/dbraw/zinc/65/70/36/581657036.db2.gz RDLKYTTXYKOTTR-NSHDSACASA-N 2 2 273.336 0.576 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]CCN2C(=O)c3ccccc3C2=O)C1 ZINC000756107574 581657039 /nfs/dbraw/zinc/65/70/39/581657039.db2.gz RDLKYTTXYKOTTR-NSHDSACASA-N 2 2 273.336 0.576 20 0 CCADLP C[NH+](C)CCNC(=S)NCCNc1cccc[nH+]1 ZINC000730594042 581722629 /nfs/dbraw/zinc/72/26/29/581722629.db2.gz ZKEYOPKRJHHZDR-UHFFFAOYSA-N 2 2 267.402 0.519 20 0 CCADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCc1[nH]cc[nH+]1 ZINC000746692779 581922641 /nfs/dbraw/zinc/92/26/41/581922641.db2.gz ZOXWDTGCDBGDRO-AWEZNQCLSA-N 2 2 294.399 0.862 20 0 CCADLP CCNC(=S)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000749006243 581993791 /nfs/dbraw/zinc/99/37/91/581993791.db2.gz PVPXHIZQKVDDCV-UHFFFAOYSA-N 2 2 258.435 0.496 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H](O)C[NH+]1CCCC1 ZINC000774745489 581993927 /nfs/dbraw/zinc/99/39/27/581993927.db2.gz QEGMUCYWAGMMQW-AWEZNQCLSA-N 3 2 266.389 0.662 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H](O)C[NH+]1CCCC1 ZINC000774745489 581993930 /nfs/dbraw/zinc/99/39/30/581993930.db2.gz QEGMUCYWAGMMQW-AWEZNQCLSA-N 3 2 266.389 0.662 20 0 CCADLP C[N@H+](CCCn1ccnc1)C[C@H](O)C[NH+]1CCCC1 ZINC000774745489 581993934 /nfs/dbraw/zinc/99/39/34/581993934.db2.gz QEGMUCYWAGMMQW-AWEZNQCLSA-N 2 2 266.389 0.662 20 0 CCADLP C[N@@H+](CCCn1ccnc1)C[C@H](O)C[NH+]1CCCC1 ZINC000774745489 581993938 /nfs/dbraw/zinc/99/39/38/581993938.db2.gz QEGMUCYWAGMMQW-AWEZNQCLSA-N 2 2 266.389 0.662 20 0 CCADLP CNC(=O)C1([NH2+]C[C@@H](O)C[NH+]2CCCC2)CCCC1 ZINC000749321644 582003403 /nfs/dbraw/zinc/00/34/03/582003403.db2.gz MFYKGIOWKCJDDK-GFCCVEGCSA-N 2 2 269.389 0.092 20 0 CCADLP C[C@H](C(=O)OCCn1cc[nH+]c1)[NH+]1CCSCC1 ZINC000774975570 582006728 /nfs/dbraw/zinc/00/67/28/582006728.db2.gz ALVPBXQKVYDXRE-LLVKDONJSA-N 2 2 269.370 0.864 20 0 CCADLP COC(=O)c1ncn(C[NH+]2CCC(C[NH+](C)C)CC2)n1 ZINC000738077712 582020593 /nfs/dbraw/zinc/02/05/93/582020593.db2.gz XHLHWAYPQPQJFC-UHFFFAOYSA-N 2 2 281.360 0.296 20 0 CCADLP CC(C)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(=O)N1CCCC1 ZINC000775419889 582023338 /nfs/dbraw/zinc/02/33/38/582023338.db2.gz CARYLAWKMHBNDD-CABCVRRESA-N 2 2 297.443 0.680 20 0 CCADLP CC[N@@H+]1CCO[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC000776931135 582093691 /nfs/dbraw/zinc/09/36/91/582093691.db2.gz IZTJQVZOHUPTTK-LBPRGKRZSA-N 2 2 288.351 0.785 20 0 CCADLP CC[N@H+]1CCO[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC000776931135 582093695 /nfs/dbraw/zinc/09/36/95/582093695.db2.gz IZTJQVZOHUPTTK-LBPRGKRZSA-N 2 2 288.351 0.785 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H](C)C[NH2+]C ZINC000877432843 615927165 /nfs/dbraw/zinc/92/71/65/615927165.db2.gz INSHYRQSSLQXKE-NEPJUHHUSA-N 2 2 257.378 0.069 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H](C)C[NH2+]C ZINC000877432843 615927168 /nfs/dbraw/zinc/92/71/68/615927168.db2.gz INSHYRQSSLQXKE-NEPJUHHUSA-N 2 2 257.378 0.069 20 0 CCADLP CS(=O)(=O)NCCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924601868 617173924 /nfs/dbraw/zinc/17/39/24/617173924.db2.gz YPRNUFSHUZPNAG-QWHCGFSZSA-N 2 2 289.445 0.532 20 0 CCADLP CS(=O)(=O)NCCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000924601868 617173925 /nfs/dbraw/zinc/17/39/25/617173925.db2.gz YPRNUFSHUZPNAG-QWHCGFSZSA-N 2 2 289.445 0.532 20 0 CCADLP CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925768146 617183034 /nfs/dbraw/zinc/18/30/34/617183034.db2.gz IIZGDHLZJOKGTJ-GMTAPVOTSA-N 2 2 258.387 0.436 20 0 CCADLP CC(C)[C@@H](C(=O)N[C@@H](CO)c1c[nH+]cn1C)[NH+](C)C ZINC000898884257 614076584 /nfs/dbraw/zinc/07/65/84/614076584.db2.gz QQHWCPMVLHYCDT-JQWIXIFHSA-N 2 2 268.361 0.156 20 0 CCADLP CC(C)C[N@H+](CC1CC[NH+](C)CC1)Cn1ncn(C)c1=O ZINC000872743484 614078767 /nfs/dbraw/zinc/07/87/67/614078767.db2.gz FFNKFEWIEIWNHA-UHFFFAOYSA-N 2 2 295.431 0.839 20 0 CCADLP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)Cn1ncn(C)c1=O ZINC000872743484 614078769 /nfs/dbraw/zinc/07/87/69/614078769.db2.gz FFNKFEWIEIWNHA-UHFFFAOYSA-N 2 2 295.431 0.839 20 0 CCADLP C1CCC2(C1)[C@H]([NH2+][C@@H]1C[NH2+]CCOC1)[C@@H]1CCO[C@@H]12 ZINC000925635300 613224195 /nfs/dbraw/zinc/22/41/95/613224195.db2.gz UFSPMLSVRRWSJD-RQJABVFESA-N 2 2 266.385 0.912 20 0 CCADLP C(C[C@H]1CCCO1)[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000925773770 613229369 /nfs/dbraw/zinc/22/93/69/613229369.db2.gz GMWOFXWUQYGPNN-MGPQQGTHSA-N 2 2 254.374 0.912 20 0 CCADLP C/C(=C/C(=O)N1CC[N@H+](C)[C@H](C)C1)C[NH+]1CCOCC1 ZINC000900849040 613231074 /nfs/dbraw/zinc/23/10/74/613231074.db2.gz WGUBLFWSNOJMBD-QLKUMGTLSA-N 2 2 281.400 0.427 20 0 CCADLP C/C(=C/C(=O)N1CC[N@@H+](C)[C@H](C)C1)C[NH+]1CCOCC1 ZINC000900849040 613231078 /nfs/dbraw/zinc/23/10/78/613231078.db2.gz WGUBLFWSNOJMBD-QLKUMGTLSA-N 2 2 281.400 0.427 20 0 CCADLP C/C(=C/C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21)C[NH+]1CCOCC1 ZINC000908345288 613233313 /nfs/dbraw/zinc/23/33/13/613233313.db2.gz AVQXTVGYLRUDAV-XZVYODRBSA-N 2 2 293.411 0.427 20 0 CCADLP C/C(=C/C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21)C[NH+]1CCOCC1 ZINC000908345288 613233315 /nfs/dbraw/zinc/23/33/15/613233315.db2.gz AVQXTVGYLRUDAV-XZVYODRBSA-N 2 2 293.411 0.427 20 0 CCADLP C/C(=C/C(=O)NC[C@H]1CC[N@H+]1C)C[NH+]1CCOCC1 ZINC000928550939 613237654 /nfs/dbraw/zinc/23/76/54/613237654.db2.gz JOACXHLATKRLAP-KIWPFMIBSA-N 2 2 267.373 0.085 20 0 CCADLP C/C(=C/C(=O)NC[C@H]1CC[N@@H+]1C)C[NH+]1CCOCC1 ZINC000928550939 613237656 /nfs/dbraw/zinc/23/76/56/613237656.db2.gz JOACXHLATKRLAP-KIWPFMIBSA-N 2 2 267.373 0.085 20 0 CCADLP C/C(=C\C(=O)N1CC[C@@H](C[NH+](C)C)C1)C[NH+]1CCOCC1 ZINC000900711877 613251251 /nfs/dbraw/zinc/25/12/51/613251251.db2.gz QWHHLOKKHZGHDV-IPJDOKCGSA-N 2 2 295.427 0.675 20 0 CCADLP CC(=O)N1C[C@@H]2C[N@@H+](CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC000880311419 613629033 /nfs/dbraw/zinc/62/90/33/613629033.db2.gz FNMXSYLVCUQDDW-OKILXGFUSA-N 2 2 262.357 0.683 20 0 CCADLP CC(=O)N1C[C@@H]2C[N@H+](CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC000880311419 613629036 /nfs/dbraw/zinc/62/90/36/613629036.db2.gz FNMXSYLVCUQDDW-OKILXGFUSA-N 2 2 262.357 0.683 20 0 CCADLP CC(C)OCC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931276745 614024439 /nfs/dbraw/zinc/02/44/39/614024439.db2.gz CWIGBSRHVKZSPA-IGQOVBAYSA-N 2 2 256.390 0.654 20 0 CCADLP CC(C)OCC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931276745 614024440 /nfs/dbraw/zinc/02/44/40/614024440.db2.gz CWIGBSRHVKZSPA-IGQOVBAYSA-N 2 2 256.390 0.654 20 0 CCADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)NCc1ccccn1 ZINC000844225868 614033051 /nfs/dbraw/zinc/03/30/51/614033051.db2.gz IPQFJQWKZPEQIA-LBPRGKRZSA-N 2 2 264.373 0.661 20 0 CCADLP CC(C)(CNC(=O)C[NH+]1CCCC1)n1cc[nH+]c1 ZINC000912615802 614094999 /nfs/dbraw/zinc/09/49/99/614094999.db2.gz QKQDEGWYIMNUEP-UHFFFAOYSA-N 2 2 250.346 0.830 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)N1CCO[C@H](C)C1 ZINC000123665342 614117763 /nfs/dbraw/zinc/11/77/63/614117763.db2.gz ZZCNCOUODTXSSO-OLZOCXBDSA-N 2 2 271.405 0.539 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)N1CCO[C@H](C)C1 ZINC000123665342 614117767 /nfs/dbraw/zinc/11/77/67/614117767.db2.gz ZZCNCOUODTXSSO-OLZOCXBDSA-N 2 2 271.405 0.539 20 0 CCADLP CC(C)([NH3+])C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000843119906 614161207 /nfs/dbraw/zinc/16/12/07/614161207.db2.gz MMQRFCVXVGGGCT-NSHDSACASA-N 2 2 252.362 0.892 20 0 CCADLP CC(=O)[C@](C)(O)C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931314370 614244548 /nfs/dbraw/zinc/24/45/48/614244548.db2.gz NARPEJDRFFEOAS-HZSPNIEDSA-N 2 2 254.374 0.600 20 0 CCADLP CC(=O)[C@](C)(O)C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931314370 614244549 /nfs/dbraw/zinc/24/45/49/614244549.db2.gz NARPEJDRFFEOAS-HZSPNIEDSA-N 2 2 254.374 0.600 20 0 CCADLP CC(=O)[C@](C)(O)C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931314370 614244550 /nfs/dbraw/zinc/24/45/50/614244550.db2.gz NARPEJDRFFEOAS-HZSPNIEDSA-N 2 2 254.374 0.600 20 0 CCADLP CC(=O)[C@](C)(O)C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931314370 614244551 /nfs/dbraw/zinc/24/45/51/614244551.db2.gz NARPEJDRFFEOAS-HZSPNIEDSA-N 2 2 254.374 0.600 20 0 CCADLP CC(C)=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC000962144666 614320442 /nfs/dbraw/zinc/32/04/42/614320442.db2.gz YIZATIGDCJQHMD-JYAVWHMHSA-N 2 2 274.368 0.965 20 0 CCADLP CC(C)=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC000962144666 614320445 /nfs/dbraw/zinc/32/04/45/614320445.db2.gz YIZATIGDCJQHMD-JYAVWHMHSA-N 2 2 274.368 0.965 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H]2CO)CC1 ZINC000934024030 614325615 /nfs/dbraw/zinc/32/56/15/614325615.db2.gz NXSWQGMMYJFAKB-ZDUSSCGKSA-N 2 2 269.389 0.042 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H]2CO)CC1 ZINC000934024030 614325618 /nfs/dbraw/zinc/32/56/18/614325618.db2.gz NXSWQGMMYJFAKB-ZDUSSCGKSA-N 2 2 269.389 0.042 20 0 CCADLP CCCC[C@H](C[NH3+])NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876543188 614482966 /nfs/dbraw/zinc/48/29/66/614482966.db2.gz HNUSKZHNKRCVCT-RYWCDNDXSA-N 2 2 269.389 0.509 20 0 CCADLP CCC[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@@H]1CC[NH2+]C1 ZINC000903716440 614584802 /nfs/dbraw/zinc/58/48/02/614584802.db2.gz NCLZTEIERMUUCZ-QLFBSQMISA-N 3 2 267.417 0.829 20 0 CCADLP CCC[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@@H]1CC[NH2+]C1 ZINC000903716440 614584803 /nfs/dbraw/zinc/58/48/03/614584803.db2.gz NCLZTEIERMUUCZ-QLFBSQMISA-N 3 2 267.417 0.829 20 0 CCADLP CCC[NH+]1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000899986796 614619801 /nfs/dbraw/zinc/61/98/01/614619801.db2.gz CEIWDCLWNKXJIG-UHFFFAOYSA-N 2 2 250.346 0.943 20 0 CCADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903920965 614702019 /nfs/dbraw/zinc/70/20/19/614702019.db2.gz YWUNZUSLZMDTEG-OCCSQVGLSA-N 3 2 292.431 0.680 20 0 CCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000925577336 614808211 /nfs/dbraw/zinc/80/82/11/614808211.db2.gz QNQLSPCLBYCBJU-SNVBAGLBSA-N 2 2 260.403 0.541 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903025014 614850812 /nfs/dbraw/zinc/85/08/12/614850812.db2.gz ZWKOSRASJINLDZ-CHWSQXEVSA-N 2 2 279.388 0.275 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903025014 614850815 /nfs/dbraw/zinc/85/08/15/614850815.db2.gz ZWKOSRASJINLDZ-CHWSQXEVSA-N 2 2 279.388 0.275 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903025014 614850819 /nfs/dbraw/zinc/85/08/19/614850819.db2.gz ZWKOSRASJINLDZ-CHWSQXEVSA-N 2 2 279.388 0.275 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903025014 614850822 /nfs/dbraw/zinc/85/08/22/614850822.db2.gz ZWKOSRASJINLDZ-CHWSQXEVSA-N 2 2 279.388 0.275 20 0 CCADLP CCCNC(=O)C[NH+]1CCC(N[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925543647 614850945 /nfs/dbraw/zinc/85/09/45/614850945.db2.gz NJCVKKZJTHDWIH-ZFWWWQNUSA-N 2 2 296.459 0.707 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000884363260 614852067 /nfs/dbraw/zinc/85/20/67/614852067.db2.gz ZFFZRSQMCXZMDI-AXFHLTTASA-N 2 2 262.357 0.688 20 0 CCADLP CCC[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000939400421 614916883 /nfs/dbraw/zinc/91/68/83/614916883.db2.gz NJHFHUBCFXLNOJ-MNOVXSKESA-N 2 2 250.346 0.799 20 0 CCADLP CCN(CC)C(=O)C[NH+]1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903440814 614966964 /nfs/dbraw/zinc/96/69/64/614966964.db2.gz DHQABDHCKAKCSJ-CQSZACIVSA-N 2 2 282.432 0.224 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC)C1 ZINC000984448545 615003028 /nfs/dbraw/zinc/00/30/28/615003028.db2.gz WEZQOUKZLNZEEQ-RBSFLKMASA-N 2 2 297.443 0.992 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC)C1 ZINC000984448545 615003032 /nfs/dbraw/zinc/00/30/32/615003032.db2.gz WEZQOUKZLNZEEQ-RBSFLKMASA-N 2 2 297.443 0.992 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886865522 615057026 /nfs/dbraw/zinc/05/70/26/615057026.db2.gz MXCFVDKQQDAXAD-AWEZNQCLSA-N 2 2 282.388 0.298 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886865522 615057028 /nfs/dbraw/zinc/05/70/28/615057028.db2.gz MXCFVDKQQDAXAD-AWEZNQCLSA-N 2 2 282.388 0.298 20 0 CCADLP CCNS(=O)(=O)CC[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000817912900 615105966 /nfs/dbraw/zinc/10/59/66/615105966.db2.gz YRMGYZNMKYVQSZ-GXTWGEPZSA-N 2 2 299.440 0.474 20 0 CCADLP CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC000979310633 615129603 /nfs/dbraw/zinc/12/96/03/615129603.db2.gz QVEMITCUUSQCRH-YPMHNXCESA-N 2 2 280.372 0.568 20 0 CCADLP CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC000979310633 615129604 /nfs/dbraw/zinc/12/96/04/615129604.db2.gz QVEMITCUUSQCRH-YPMHNXCESA-N 2 2 280.372 0.568 20 0 CCADLP CC[NH2+][C@H](C)[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CCO1 ZINC000979438890 615130735 /nfs/dbraw/zinc/13/07/35/615130735.db2.gz CVKLHECXVCTOAH-VXGBXAGGSA-N 2 2 294.399 0.913 20 0 CCADLP CC[NH+]1CCN([C@H](C)CNc2cc(NC)[nH+]cn2)CC1 ZINC000891830245 615162742 /nfs/dbraw/zinc/16/27/42/615162742.db2.gz XGCCPJRRMVTSKI-GFCCVEGCSA-N 2 2 278.404 0.956 20 0 CCADLP CCOC(=O)C[N@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903751735 615190906 /nfs/dbraw/zinc/19/09/06/615190906.db2.gz IRAOCDBSKXUSDE-UKRRQHHQSA-N 2 2 282.384 0.783 20 0 CCADLP CCOC(=O)C[N@@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903751735 615190908 /nfs/dbraw/zinc/19/09/08/615190908.db2.gz IRAOCDBSKXUSDE-UKRRQHHQSA-N 2 2 282.384 0.783 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000882488794 615256475 /nfs/dbraw/zinc/25/64/75/615256475.db2.gz IQIASOVZVXQUPJ-NWDGAFQWSA-N 2 2 271.430 0.634 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000882488794 615256477 /nfs/dbraw/zinc/25/64/77/615256477.db2.gz IQIASOVZVXQUPJ-NWDGAFQWSA-N 2 2 271.430 0.634 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872550 615257859 /nfs/dbraw/zinc/25/78/59/615257859.db2.gz VLXADWTXMDXOTM-HNNXBMFYSA-N 2 2 283.416 0.605 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872550 615257861 /nfs/dbraw/zinc/25/78/61/615257861.db2.gz VLXADWTXMDXOTM-HNNXBMFYSA-N 2 2 283.416 0.605 20 0 CCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](O)c2c[nH+]c[nH]2)C[C@H]1C ZINC000866020000 615272266 /nfs/dbraw/zinc/27/22/66/615272266.db2.gz HTCPCEXNMCYNLD-NTZNESFSSA-N 2 2 280.372 0.774 20 0 CCADLP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](O)c2c[nH+]c[nH]2)C[C@H]1C ZINC000866020000 615272269 /nfs/dbraw/zinc/27/22/69/615272269.db2.gz HTCPCEXNMCYNLD-NTZNESFSSA-N 2 2 280.372 0.774 20 0 CCADLP CCOCC[C@@H](O)C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923530204 615299125 /nfs/dbraw/zinc/29/91/25/615299125.db2.gz HAGPNQRWJAXTKH-KGLIPLIRSA-N 2 2 256.390 0.992 20 0 CCADLP CCOCC[C@@H](O)C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923530204 615299127 /nfs/dbraw/zinc/29/91/27/615299127.db2.gz HAGPNQRWJAXTKH-KGLIPLIRSA-N 2 2 256.390 0.992 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCc1cc(N(C)C)cc[nH+]1 ZINC000925813708 615327656 /nfs/dbraw/zinc/32/76/56/615327656.db2.gz VTWQOCOWBHKSOO-ZIAGYGMSSA-N 2 2 292.383 0.531 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902432385 615327730 /nfs/dbraw/zinc/32/77/30/615327730.db2.gz HEOYQOXOJDKCJH-KBUPBQIOSA-N 2 2 289.379 0.494 20 0 CCADLP CC[C@@H](C(=O)NC[C@H]([NH3+])C(C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000911827715 615382485 /nfs/dbraw/zinc/38/24/85/615382485.db2.gz WMBQOCZGZYLHEK-RDBSUJKOSA-N 2 2 285.432 0.975 20 0 CCADLP CC[C@@H](C(=O)NC[C@H]([NH3+])C(C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000911827715 615382488 /nfs/dbraw/zinc/38/24/88/615382488.db2.gz WMBQOCZGZYLHEK-RDBSUJKOSA-N 2 2 285.432 0.975 20 0 CCADLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000905123426 615474501 /nfs/dbraw/zinc/47/45/01/615474501.db2.gz XWMOKEOAHMHQCV-KBPBESRZSA-N 2 2 286.416 0.353 20 0 CCADLP CCO[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)C[NH+](C)C ZINC000831712695 615482997 /nfs/dbraw/zinc/48/29/97/615482997.db2.gz FAUSKFOZHZXNSU-QWHCGFSZSA-N 2 2 294.399 0.528 20 0 CCADLP CC[C@@H](C[C@](C)(O)CC)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000924840464 615497457 /nfs/dbraw/zinc/49/74/57/615497457.db2.gz WDVIPYBUUPWUCK-DZGCQCFKSA-N 2 2 285.432 0.680 20 0 CCADLP CC[C@@H](O)C[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880250366 615540656 /nfs/dbraw/zinc/54/06/56/615540656.db2.gz NSIRCPIPYYDJIF-CYBMUJFWSA-N 2 2 283.416 0.563 20 0 CCADLP CC[C@H](C(=O)N(C)[C@H]1CC[NH2+]C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911786797 615564893 /nfs/dbraw/zinc/56/48/93/615564893.db2.gz FBSNZTPSQHQMCQ-BFHYXJOUSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@H](C(=O)N(C)[C@H]1CC[NH2+]C1)[N@H+]1CCO[C@H](CC)C1 ZINC000911786797 615564894 /nfs/dbraw/zinc/56/48/94/615564894.db2.gz FBSNZTPSQHQMCQ-BFHYXJOUSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000877432171 615568002 /nfs/dbraw/zinc/56/80/02/615568002.db2.gz BDOOYHBQKDSGGN-OLZOCXBDSA-N 2 2 269.389 0.356 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000877432171 615568003 /nfs/dbraw/zinc/56/80/03/615568003.db2.gz BDOOYHBQKDSGGN-OLZOCXBDSA-N 2 2 269.389 0.356 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CCC(C)C ZINC000877434779 615568635 /nfs/dbraw/zinc/56/86/35/615568635.db2.gz UOCXUTZNNOKFNS-ZIAGYGMSSA-N 2 2 285.432 0.977 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]([NH3+])CCC(C)C ZINC000877434779 615568636 /nfs/dbraw/zinc/56/86/36/615568636.db2.gz UOCXUTZNNOKFNS-ZIAGYGMSSA-N 2 2 285.432 0.977 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000877432393 615568810 /nfs/dbraw/zinc/56/88/10/615568810.db2.gz CWJFLKVFICDTBO-UONOGXRCSA-N 2 2 283.416 0.603 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000877432393 615568811 /nfs/dbraw/zinc/56/88/11/615568811.db2.gz CWJFLKVFICDTBO-UONOGXRCSA-N 2 2 283.416 0.603 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCOC[C@H]2CC)CC[N@@H+]1C ZINC000874711236 615584859 /nfs/dbraw/zinc/58/48/59/615584859.db2.gz NUFRVCPLSYJFRR-QLFBSQMISA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCOC[C@H]2CC)CC[N@H+]1C ZINC000874711236 615584860 /nfs/dbraw/zinc/58/48/60/615584860.db2.gz NUFRVCPLSYJFRR-QLFBSQMISA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+]2CCOC[C@H]2CC)CC[NH+]1C ZINC000874711236 615584861 /nfs/dbraw/zinc/58/48/61/615584861.db2.gz NUFRVCPLSYJFRR-QLFBSQMISA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[N@H+]2CCOC[C@H]2CC)CC[NH+]1C ZINC000874711236 615584862 /nfs/dbraw/zinc/58/48/62/615584862.db2.gz NUFRVCPLSYJFRR-QLFBSQMISA-N 2 2 297.443 0.944 20 0 CCADLP CCn1c[nH+]c2c1CCN(C[C@@](C)(O)C[NH2+]C)C2 ZINC000923556949 615629132 /nfs/dbraw/zinc/62/91/32/615629132.db2.gz HJAPNGLGKPNMFV-ZDUSSCGKSA-N 2 2 252.362 0.232 20 0 CCADLP CCn1c[nH+]c2c1CCN(C[C@H]1C[NH2+]CCO1)C2 ZINC000923558768 615629791 /nfs/dbraw/zinc/62/97/91/615629791.db2.gz VLAFEGCAKRXXRT-LLVKDONJSA-N 2 2 250.346 0.250 20 0 CCADLP CCn1nc(C)c([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)n1 ZINC000924963817 615668961 /nfs/dbraw/zinc/66/89/61/615668961.db2.gz GTCRHJLCZSDZEW-QWHCGFSZSA-N 2 2 294.447 0.893 20 0 CCADLP CCn1ncc(C[NH+]2CCC(OCCC[NH3+])CC2)n1 ZINC000857083412 615696306 /nfs/dbraw/zinc/69/63/06/615696306.db2.gz CWEBZJPTWPDMEZ-UHFFFAOYSA-N 2 2 267.377 0.628 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)C[NH+](C)C ZINC000922478341 615716919 /nfs/dbraw/zinc/71/69/19/615716919.db2.gz MCEPBVLUADKBQM-QWHCGFSZSA-N 2 2 286.420 0.347 20 0 CCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913540891 615779101 /nfs/dbraw/zinc/77/91/01/615779101.db2.gz AKERJIMYTQTHPK-OLZOCXBDSA-N 2 2 294.399 0.532 20 0 CCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913540891 615779104 /nfs/dbraw/zinc/77/91/04/615779104.db2.gz AKERJIMYTQTHPK-OLZOCXBDSA-N 2 2 294.399 0.532 20 0 CCADLP C[NH+](C)C(C)(C)CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864525637 615838948 /nfs/dbraw/zinc/83/89/48/615838948.db2.gz HSITWUKRPFCOBT-WAYWQWQTSA-N 2 2 269.389 0.331 20 0 CCADLP C[NH+](C)C1(C)CC[NH+](CCN2CCNC2=O)CC1 ZINC000931352696 615846297 /nfs/dbraw/zinc/84/62/97/615846297.db2.gz QOQCRTMUOBIZKK-UHFFFAOYSA-N 2 2 254.378 0.428 20 0 CCADLP C[NH+](C)C1(CNC(=O)NCCNc2cccc[nH+]2)CC1 ZINC000913915996 615848663 /nfs/dbraw/zinc/84/86/63/615848663.db2.gz VGUKBNFLJOZVLA-UHFFFAOYSA-N 2 2 277.372 0.887 20 0 CCADLP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925529148 615856349 /nfs/dbraw/zinc/85/63/49/615856349.db2.gz BXYOTLUTUDNFGH-CQSZACIVSA-N 3 2 268.449 0.743 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@@H]1CCCOC1 ZINC000855415135 615878397 /nfs/dbraw/zinc/87/83/97/615878397.db2.gz QWBBISOMULTRJL-AWEZNQCLSA-N 2 2 285.432 0.803 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@@H]1CCCOC1 ZINC000855415135 615878400 /nfs/dbraw/zinc/87/84/00/615878400.db2.gz QWBBISOMULTRJL-AWEZNQCLSA-N 2 2 285.432 0.803 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)/C=C/[C@@H]1CCOC1 ZINC000855417569 615878668 /nfs/dbraw/zinc/87/86/68/615878668.db2.gz JVQGKAYVXMGYFF-VBROQKIQSA-N 2 2 283.416 0.579 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)/C=C/[C@@H]1CCOC1 ZINC000855417569 615878670 /nfs/dbraw/zinc/87/86/70/615878670.db2.gz JVQGKAYVXMGYFF-VBROQKIQSA-N 2 2 283.416 0.579 20 0 CCADLP CC[C@H]1CCN(C(=[NH2+])NCC[N@@H+]2CCCOCC2)C1 ZINC000864463838 615887179 /nfs/dbraw/zinc/88/71/79/615887179.db2.gz LLUCWOYVAGNYAQ-ZDUSSCGKSA-N 2 2 268.405 0.965 20 0 CCADLP CC[C@H]1CCN(C(=[NH2+])NCC[N@H+]2CCCOCC2)C1 ZINC000864463838 615887181 /nfs/dbraw/zinc/88/71/81/615887181.db2.gz LLUCWOYVAGNYAQ-ZDUSSCGKSA-N 2 2 268.405 0.965 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](CC2CC(F)(F)C2)CC1=O ZINC000844382291 615898735 /nfs/dbraw/zinc/89/87/35/615898735.db2.gz WBTZHONRMRKFNJ-UHFFFAOYSA-N 2 2 275.343 0.738 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](CC2CC(F)(F)C2)CC1=O ZINC000844382291 615898736 /nfs/dbraw/zinc/89/87/36/615898736.db2.gz WBTZHONRMRKFNJ-UHFFFAOYSA-N 2 2 275.343 0.738 20 0 CCADLP CC[C@H]1CN(C(=O)NC[C@@H]2CC[NH+]2C)CC[N@@H+]1CCOC ZINC000925406362 615899750 /nfs/dbraw/zinc/89/97/50/615899750.db2.gz MNOFBPAZQWBYOK-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@H]1CN(C(=O)NC[C@@H]2CC[NH+]2C)CC[N@H+]1CCOC ZINC000925406362 615899757 /nfs/dbraw/zinc/89/97/57/615899757.db2.gz MNOFBPAZQWBYOK-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C)CC[NH+]1CCOC ZINC000925406362 615899759 /nfs/dbraw/zinc/89/97/59/615899759.db2.gz MNOFBPAZQWBYOK-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C)CC[NH+]1CCOC ZINC000925406362 615899763 /nfs/dbraw/zinc/89/97/63/615899763.db2.gz MNOFBPAZQWBYOK-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP C[NH+](C)CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000895469644 615901784 /nfs/dbraw/zinc/90/17/84/615901784.db2.gz LJKVLMIKWHJVCI-GFCCVEGCSA-N 2 2 265.361 0.468 20 0 CCADLP C[NH+](C)CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000895469644 615901786 /nfs/dbraw/zinc/90/17/86/615901786.db2.gz LJKVLMIKWHJVCI-GFCCVEGCSA-N 2 2 265.361 0.468 20 0 CCADLP C[NH+](C)CCOCCNC(=O)CNc1cccc[nH+]1 ZINC000901341181 615905540 /nfs/dbraw/zinc/90/55/40/615905540.db2.gz MBKDDKZQMDNQDO-UHFFFAOYSA-N 2 2 266.345 0.188 20 0 CCADLP C[NH+](C)CC[C@H](N)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000846673731 615913491 /nfs/dbraw/zinc/91/34/91/615913491.db2.gz WBJOQCRURFIPQK-QWHCGFSZSA-N 2 2 295.431 0.693 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])C(C)C ZINC000877432779 615927012 /nfs/dbraw/zinc/92/70/12/615927012.db2.gz GYYFBEMFNNUWKR-NWDGAFQWSA-N 2 2 257.378 0.197 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H]([NH3+])C(C)C ZINC000877432779 615927013 /nfs/dbraw/zinc/92/70/13/615927013.db2.gz GYYFBEMFNNUWKR-NWDGAFQWSA-N 2 2 257.378 0.197 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000878867028 615937589 /nfs/dbraw/zinc/93/75/89/615937589.db2.gz ZGMWWUOOLVWRKS-BBRMVZONSA-N 2 2 296.411 0.861 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000878867028 615937591 /nfs/dbraw/zinc/93/75/91/615937591.db2.gz ZGMWWUOOLVWRKS-BBRMVZONSA-N 2 2 296.411 0.861 20 0 CCADLP CN1CC[C@H]1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000922576046 615958648 /nfs/dbraw/zinc/95/86/48/615958648.db2.gz KUMRSXICWHRYLX-JTQLQIEISA-N 2 2 254.403 0.998 20 0 CCADLP C[NH+](C)[C@@]1(C[NH2+]C[C@H](O)C2(O)CCC2)CCSC1 ZINC000905146143 615987318 /nfs/dbraw/zinc/98/73/18/615987318.db2.gz GNJQAMSRPBNABS-NWDGAFQWSA-N 2 2 274.430 0.289 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]21 ZINC000931279591 615997189 /nfs/dbraw/zinc/99/71/89/615997189.db2.gz LQTWLLJLISARKP-IMRBUKKESA-N 2 2 251.374 0.491 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]21 ZINC000931279591 615997192 /nfs/dbraw/zinc/99/71/92/615997192.db2.gz LQTWLLJLISARKP-IMRBUKKESA-N 2 2 251.374 0.491 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H]3C[C@H]4COC[C@H]4O3)C[C@H]21 ZINC000931278132 615997744 /nfs/dbraw/zinc/99/77/44/615997744.db2.gz VWHVNBXTSXDNND-QEHJDLSMSA-N 2 2 252.358 0.282 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H]3C[C@H]4COC[C@H]4O3)C[C@H]21 ZINC000931278132 615997746 /nfs/dbraw/zinc/99/77/46/615997746.db2.gz VWHVNBXTSXDNND-QEHJDLSMSA-N 2 2 252.358 0.282 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H](O)COC[C@H]3CCCO3)C[C@H]21 ZINC000931283344 615998033 /nfs/dbraw/zinc/99/80/33/615998033.db2.gz UOKVTFHISJQDOY-ZSAUSMIDSA-N 2 2 284.400 0.035 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)COC[C@H]3CCCO3)C[C@H]21 ZINC000931283344 615998035 /nfs/dbraw/zinc/99/80/35/615998035.db2.gz UOKVTFHISJQDOY-ZSAUSMIDSA-N 2 2 284.400 0.035 20 0 CCADLP CCn1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c(C)n1 ZINC000893605106 615998700 /nfs/dbraw/zinc/99/87/00/615998700.db2.gz CHECRPJSVPCUNH-ZDUSSCGKSA-N 2 2 252.362 0.368 20 0 CCADLP CCn1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c(C)n1 ZINC000893605106 615998702 /nfs/dbraw/zinc/99/87/02/615998702.db2.gz CHECRPJSVPCUNH-ZDUSSCGKSA-N 2 2 252.362 0.368 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+]([C@H]3CCN(C(C)(C)C)C3=O)C[C@H]21 ZINC000931281413 615998920 /nfs/dbraw/zinc/99/89/20/615998920.db2.gz RZRQOVFRECONGU-QNWHQSFQSA-N 2 2 265.401 0.878 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(C(C)(C)C)C3=O)C[C@H]21 ZINC000931281413 615998923 /nfs/dbraw/zinc/99/89/23/615998923.db2.gz RZRQOVFRECONGU-QNWHQSFQSA-N 2 2 265.401 0.878 20 0 CCADLP CN(C)c1cc[nH+]c(CNC(=O)NCc2c[nH+]cn2C)c1 ZINC000922514814 616027273 /nfs/dbraw/zinc/02/72/73/616027273.db2.gz OENKGDDNNHCIJK-UHFFFAOYSA-N 2 2 288.355 0.881 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=[NH2+])NCC(F)F)n1C ZINC000887354334 616035811 /nfs/dbraw/zinc/03/58/11/616035811.db2.gz ZVJPDKTZTDPUEQ-UHFFFAOYSA-N 2 2 260.292 0.365 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897048312 616076391 /nfs/dbraw/zinc/07/63/91/616076391.db2.gz HRDLWPXOKIOERQ-CQSZACIVSA-N 2 2 292.383 0.452 20 0 CCADLP Cn1cc(C[N@H+](C)C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)nn1 ZINC000903767401 616091325 /nfs/dbraw/zinc/09/13/25/616091325.db2.gz WMYBYVLYFYZEFX-STQMWFEESA-N 2 2 265.361 0.016 20 0 CCADLP Cn1cc(C[N@@H+](C)C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)nn1 ZINC000903767401 616091326 /nfs/dbraw/zinc/09/13/26/616091326.db2.gz WMYBYVLYFYZEFX-STQMWFEESA-N 2 2 265.361 0.016 20 0 CCADLP C[N@@H+](Cc1nccs1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923325269 616107500 /nfs/dbraw/zinc/10/75/00/616107500.db2.gz SNNVQALWBHUYAI-SNVBAGLBSA-N 2 2 253.371 0.953 20 0 CCADLP C[N@H+](Cc1nccs1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923325269 616107502 /nfs/dbraw/zinc/10/75/02/616107502.db2.gz SNNVQALWBHUYAI-SNVBAGLBSA-N 2 2 253.371 0.953 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@]12OCCC[C@H]1C2(F)F)C1CC1 ZINC000849330022 616131856 /nfs/dbraw/zinc/13/18/56/616131856.db2.gz HBOQVFZPEISFDC-XQQFMLRXSA-N 2 2 290.354 0.845 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@]12OCCC[C@H]1C2(F)F)C1CC1 ZINC000849330022 616131857 /nfs/dbraw/zinc/13/18/57/616131857.db2.gz HBOQVFZPEISFDC-XQQFMLRXSA-N 2 2 290.354 0.845 20 0 CCADLP C[N@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000843358732 616160898 /nfs/dbraw/zinc/16/08/98/616160898.db2.gz XERXRHVVOIFZMN-UWVGGRQHSA-N 2 2 279.306 0.691 20 0 CCADLP C[N@@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000843358732 616160900 /nfs/dbraw/zinc/16/09/00/616160900.db2.gz XERXRHVVOIFZMN-UWVGGRQHSA-N 2 2 279.306 0.691 20 0 CCADLP C[NH+]1CCC([N@H+](CCO)Cc2cc[nH]c(=O)c2)CC1 ZINC000891402632 616171636 /nfs/dbraw/zinc/17/16/36/616171636.db2.gz SNDUQLVPJICPDT-UHFFFAOYSA-N 2 2 265.357 0.676 20 0 CCADLP C[NH+]1CCC([N@@H+](CCO)Cc2cc[nH]c(=O)c2)CC1 ZINC000891402632 616171637 /nfs/dbraw/zinc/17/16/37/616171637.db2.gz SNDUQLVPJICPDT-UHFFFAOYSA-N 2 2 265.357 0.676 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](N3C(=O)N[C@@H](CF)C3=O)C2)CC1 ZINC000806672076 616172362 /nfs/dbraw/zinc/17/23/62/616172362.db2.gz NGQHYOAXMMECQW-NEPJUHHUSA-N 2 2 298.362 0.045 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](N3C(=O)N[C@@H](CF)C3=O)C2)CC1 ZINC000806672076 616172363 /nfs/dbraw/zinc/17/23/63/616172363.db2.gz NGQHYOAXMMECQW-NEPJUHHUSA-N 2 2 298.362 0.045 20 0 CCADLP C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000907527375 616202310 /nfs/dbraw/zinc/20/23/10/616202310.db2.gz FISHOGSFYGQRFA-IUODEOHRSA-N 2 2 292.383 0.161 20 0 CCADLP C[N@H+]1CCC[C@@](O)(CC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000907527375 616202311 /nfs/dbraw/zinc/20/23/11/616202311.db2.gz FISHOGSFYGQRFA-IUODEOHRSA-N 2 2 292.383 0.161 20 0 CCADLP C[N@@H+]1CCC[C@H](CNC(=O)CNc2cccc[nH+]2)C1 ZINC000900630026 616204795 /nfs/dbraw/zinc/20/47/95/616204795.db2.gz FWOLKTICRQFRRW-GFCCVEGCSA-N 2 2 262.357 0.952 20 0 CCADLP C[N@H+]1CCC[C@H](CNC(=O)CNc2cccc[nH+]2)C1 ZINC000900630026 616204796 /nfs/dbraw/zinc/20/47/96/616204796.db2.gz FWOLKTICRQFRRW-GFCCVEGCSA-N 2 2 262.357 0.952 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCF)C1 ZINC000898502766 616212564 /nfs/dbraw/zinc/21/25/64/616212564.db2.gz DKSYKJWEPHTWDD-RYUDHWBXSA-N 2 2 257.353 0.631 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCF)C1 ZINC000898502766 616212565 /nfs/dbraw/zinc/21/25/65/616212565.db2.gz DKSYKJWEPHTWDD-RYUDHWBXSA-N 2 2 257.353 0.631 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898502766 616212566 /nfs/dbraw/zinc/21/25/66/616212566.db2.gz DKSYKJWEPHTWDD-RYUDHWBXSA-N 2 2 257.353 0.631 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898502766 616212567 /nfs/dbraw/zinc/21/25/67/616212567.db2.gz DKSYKJWEPHTWDD-RYUDHWBXSA-N 2 2 257.353 0.631 20 0 CCADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCC(=O)N1CCOCC1 ZINC000880132096 616216352 /nfs/dbraw/zinc/21/63/52/616216352.db2.gz NFSKEJSFPOLZDT-KBPBESRZSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCC(=O)N1CCOCC1 ZINC000880132096 616216353 /nfs/dbraw/zinc/21/63/53/616216353.db2.gz NFSKEJSFPOLZDT-KBPBESRZSA-N 2 2 281.400 0.404 20 0 CCADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC(=O)N1CCOCC1 ZINC000880132096 616216354 /nfs/dbraw/zinc/21/63/54/616216354.db2.gz NFSKEJSFPOLZDT-KBPBESRZSA-N 2 2 281.400 0.404 20 0 CCADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCC(=O)N1CCOCC1 ZINC000880132096 616216355 /nfs/dbraw/zinc/21/63/55/616216355.db2.gz NFSKEJSFPOLZDT-KBPBESRZSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@H+]1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)C(C)(C)C1 ZINC000901275800 616221090 /nfs/dbraw/zinc/22/10/90/616221090.db2.gz MGSDQXQMPQECSH-ZDUSSCGKSA-N 2 2 281.400 0.260 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCc3cccnc32)CC1 ZINC000886516423 616223628 /nfs/dbraw/zinc/22/36/28/616223628.db2.gz HKLHEMFSWOWKNN-ZDUSSCGKSA-N 2 2 274.368 0.433 20 0 CCADLP C[N@@H+]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1CO ZINC000913543655 616230531 /nfs/dbraw/zinc/23/05/31/616230531.db2.gz NCRSXNCIFSKZNN-ZDUSSCGKSA-N 2 2 274.324 0.083 20 0 CCADLP C[N@H+]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1CO ZINC000913543655 616230532 /nfs/dbraw/zinc/23/05/32/616230532.db2.gz NCRSXNCIFSKZNN-ZDUSSCGKSA-N 2 2 274.324 0.083 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907046637 616232742 /nfs/dbraw/zinc/23/27/42/616232742.db2.gz IOMPFECFRDGKFW-UHFFFAOYSA-N 2 2 293.415 0.225 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000907046637 616232743 /nfs/dbraw/zinc/23/27/43/616232743.db2.gz IOMPFECFRDGKFW-UHFFFAOYSA-N 2 2 293.415 0.225 20 0 CCADLP COC(=O)[C@@H]1CC[N@H+](C[C@@H]([NH3+])CC(F)F)[C@@H]1C ZINC000903916241 616307887 /nfs/dbraw/zinc/30/78/87/616307887.db2.gz RUAMHBZQAPZCDL-HRDYMLBCSA-N 2 2 250.289 0.852 20 0 CCADLP COC(=O)[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CC(F)F)[C@@H]1C ZINC000903916241 616307892 /nfs/dbraw/zinc/30/78/92/616307892.db2.gz RUAMHBZQAPZCDL-HRDYMLBCSA-N 2 2 250.289 0.852 20 0 CCADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000900449524 616315383 /nfs/dbraw/zinc/31/53/83/616315383.db2.gz SWSAKXUIPCGYQB-ZFWWWQNUSA-N 2 2 292.383 0.502 20 0 CCADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000900449524 616315388 /nfs/dbraw/zinc/31/53/88/616315388.db2.gz SWSAKXUIPCGYQB-ZFWWWQNUSA-N 2 2 292.383 0.502 20 0 CCADLP COC(C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)OC ZINC000852707768 616317239 /nfs/dbraw/zinc/31/72/39/616317239.db2.gz KGSKIWKCXLOTOR-LBPRGKRZSA-N 2 2 258.362 0.136 20 0 CCADLP COC(C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)OC ZINC000852707768 616317241 /nfs/dbraw/zinc/31/72/41/616317241.db2.gz KGSKIWKCXLOTOR-LBPRGKRZSA-N 2 2 258.362 0.136 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@@H]2C1 ZINC000812330006 616327530 /nfs/dbraw/zinc/32/75/30/616327530.db2.gz ADZCRHHPHZFDTA-MJBXVCDLSA-N 2 2 288.395 0.856 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@@H]2C1 ZINC000812330006 616327535 /nfs/dbraw/zinc/32/75/35/616327535.db2.gz ADZCRHHPHZFDTA-MJBXVCDLSA-N 2 2 288.395 0.856 20 0 CCADLP CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879572308 616334132 /nfs/dbraw/zinc/33/41/32/616334132.db2.gz GDHFREXIKZWUGY-CHWSQXEVSA-N 2 2 289.445 0.294 20 0 CCADLP CN(C)S(=O)(=O)CCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879572308 616334137 /nfs/dbraw/zinc/33/41/37/616334137.db2.gz GDHFREXIKZWUGY-CHWSQXEVSA-N 2 2 289.445 0.294 20 0 CCADLP CN(C)S(=O)(=O)CCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879572308 616334141 /nfs/dbraw/zinc/33/41/41/616334141.db2.gz GDHFREXIKZWUGY-CHWSQXEVSA-N 2 2 289.445 0.294 20 0 CCADLP CN(C)S(=O)(=O)CCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879572308 616334146 /nfs/dbraw/zinc/33/41/46/616334146.db2.gz GDHFREXIKZWUGY-CHWSQXEVSA-N 2 2 289.445 0.294 20 0 CCADLP C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC000854735288 616350501 /nfs/dbraw/zinc/35/05/01/616350501.db2.gz MRSMWDMUKOXURV-AWEZNQCLSA-N 2 2 262.357 0.897 20 0 CCADLP C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC000854735288 616350503 /nfs/dbraw/zinc/35/05/03/616350503.db2.gz MRSMWDMUKOXURV-AWEZNQCLSA-N 2 2 262.357 0.897 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902375272 616350821 /nfs/dbraw/zinc/35/08/21/616350821.db2.gz UNDZLUMGRMQVAT-GXTWGEPZSA-N 3 2 255.406 0.421 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902375272 616350825 /nfs/dbraw/zinc/35/08/25/616350825.db2.gz UNDZLUMGRMQVAT-GXTWGEPZSA-N 3 2 255.406 0.421 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC000911913120 616360281 /nfs/dbraw/zinc/36/02/81/616360281.db2.gz NSAHULQBHOQAEE-UHFFFAOYSA-N 2 2 280.372 0.521 20 0 CCADLP COCC[N@H+]1CCN(C(=O)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC000911913120 616360283 /nfs/dbraw/zinc/36/02/83/616360283.db2.gz NSAHULQBHOQAEE-UHFFFAOYSA-N 2 2 280.372 0.521 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3nncs3)C2)C1 ZINC000970712008 616363243 /nfs/dbraw/zinc/36/32/43/616363243.db2.gz JMNHAHFIYYFQRA-WDEREUQCSA-N 2 2 295.412 0.180 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3nncs3)C2)C1 ZINC000970712008 616363249 /nfs/dbraw/zinc/36/32/49/616363249.db2.gz JMNHAHFIYYFQRA-WDEREUQCSA-N 2 2 295.412 0.180 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000913280566 616393531 /nfs/dbraw/zinc/39/35/31/616393531.db2.gz FGMYGPNSNYTVKG-GJZGRUSLSA-N 2 2 276.384 0.763 20 0 CCADLP Cn1c[nH+]cc1Cc1noc(C[C@H]2CC[N@H+](C)C2)n1 ZINC000904032976 616400735 /nfs/dbraw/zinc/40/07/35/616400735.db2.gz AMBKLBGJEBMIHF-SNVBAGLBSA-N 2 2 261.329 0.888 20 0 CCADLP Cn1c[nH+]cc1Cc1noc(C[C@H]2CC[N@@H+](C)C2)n1 ZINC000904032976 616400739 /nfs/dbraw/zinc/40/07/39/616400739.db2.gz AMBKLBGJEBMIHF-SNVBAGLBSA-N 2 2 261.329 0.888 20 0 CCADLP C[N@@H+]1CC[C@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000925408799 616424690 /nfs/dbraw/zinc/42/46/90/616424690.db2.gz BKCATIWZDYJTDC-UONOGXRCSA-N 2 2 296.415 0.197 20 0 CCADLP C[N@H+]1CC[C@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000925408799 616424693 /nfs/dbraw/zinc/42/46/93/616424693.db2.gz BKCATIWZDYJTDC-UONOGXRCSA-N 2 2 296.415 0.197 20 0 CCADLP C[N@@H+]1CC[C@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000925408793 616425078 /nfs/dbraw/zinc/42/50/78/616425078.db2.gz BKCATIWZDYJTDC-KBPBESRZSA-N 2 2 296.415 0.197 20 0 CCADLP C[N@H+]1CC[C@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000925408793 616425081 /nfs/dbraw/zinc/42/50/81/616425081.db2.gz BKCATIWZDYJTDC-KBPBESRZSA-N 2 2 296.415 0.197 20 0 CCADLP COC(=O)C1=NO[C@@]2(CC[N@H+](CCc3c[nH+]cn3C)C2)C1 ZINC000879490670 616435754 /nfs/dbraw/zinc/43/57/54/616435754.db2.gz UJIXFVRJBNJUKM-AWEZNQCLSA-N 2 2 292.339 0.356 20 0 CCADLP COC(=O)C1=NO[C@@]2(CC[N@@H+](CCc3c[nH+]cn3C)C2)C1 ZINC000879490670 616435755 /nfs/dbraw/zinc/43/57/55/616435755.db2.gz UJIXFVRJBNJUKM-AWEZNQCLSA-N 2 2 292.339 0.356 20 0 CCADLP CN1C[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1=O ZINC000924895196 616449074 /nfs/dbraw/zinc/44/90/74/616449074.db2.gz GHUXEWQXVFIVAU-FRRDWIJNSA-N 2 2 251.374 0.824 20 0 CCADLP CN1C[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1=O ZINC000924895196 616449076 /nfs/dbraw/zinc/44/90/76/616449076.db2.gz GHUXEWQXVFIVAU-FRRDWIJNSA-N 2 2 251.374 0.824 20 0 CCADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000900541837 616470156 /nfs/dbraw/zinc/47/01/56/616470156.db2.gz RJVMWHYWHAHYPF-JMSVASOKSA-N 2 2 292.383 0.571 20 0 CCADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000900541837 616470159 /nfs/dbraw/zinc/47/01/59/616470159.db2.gz RJVMWHYWHAHYPF-JMSVASOKSA-N 2 2 292.383 0.571 20 0 CCADLP CN(C)c1[nH+]cc(CN2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)n1C ZINC000897620287 616512786 /nfs/dbraw/zinc/51/27/86/616512786.db2.gz LHYFILNSMHVXSY-SWLSCSKDSA-N 2 2 277.416 0.870 20 0 CCADLP CN(C)c1[nH+]cc(CN2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)n1C ZINC000897620287 616512788 /nfs/dbraw/zinc/51/27/88/616512788.db2.gz LHYFILNSMHVXSY-SWLSCSKDSA-N 2 2 277.416 0.870 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]([NH3+])CC2CC2)[C@@H](C)C1 ZINC000884326973 616555260 /nfs/dbraw/zinc/55/52/60/616555260.db2.gz GAGCFEFSGCBDEB-WCQYABFASA-N 2 2 297.399 0.210 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]([NH3+])CC2CC2)[C@@H](C)C1 ZINC000884326973 616555263 /nfs/dbraw/zinc/55/52/63/616555263.db2.gz GAGCFEFSGCBDEB-WCQYABFASA-N 2 2 297.399 0.210 20 0 CCADLP CNC(=O)CC1(C[NH2+][C@@H]2C[NH2+]CCOC2)CCCCC1 ZINC000925718178 616561025 /nfs/dbraw/zinc/56/10/25/616561025.db2.gz XSEABFFAIYSGCG-CYBMUJFWSA-N 2 2 283.416 0.651 20 0 CCADLP CNC(=O)CN1CCC([NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925538140 616600868 /nfs/dbraw/zinc/60/08/68/616600868.db2.gz RZZJACKXGJAXGH-CYBMUJFWSA-N 2 2 280.416 0.071 20 0 CCADLP CNC(=O)C[NH+]1CCC(N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925538140 616600870 /nfs/dbraw/zinc/60/08/70/616600870.db2.gz RZZJACKXGJAXGH-CYBMUJFWSA-N 2 2 280.416 0.071 20 0 CCADLP COCC[C@@H]([NH3+])C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000884222316 616635238 /nfs/dbraw/zinc/63/52/38/616635238.db2.gz NSWYHYLUNKXBDA-CYBMUJFWSA-N 2 2 290.367 0.665 20 0 CCADLP COCC[C@H]([NH3+])C(=O)NCCCNc1cccc[nH+]1 ZINC000884192938 616675811 /nfs/dbraw/zinc/67/58/11/616675811.db2.gz RJZDTDVQTKNKRI-NSHDSACASA-N 2 2 266.345 0.364 20 0 CCADLP COCC[C@H]([NH3+])C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000884223472 616677800 /nfs/dbraw/zinc/67/78/00/616677800.db2.gz QUBWZDSSMIKJCG-NSHDSACASA-N 2 2 262.313 0.314 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886865875 616704809 /nfs/dbraw/zinc/70/48/09/616704809.db2.gz WZMPZKBGIYDPEG-RISCZKNCSA-N 2 2 282.388 0.296 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886865875 616704810 /nfs/dbraw/zinc/70/48/10/616704810.db2.gz WZMPZKBGIYDPEG-RISCZKNCSA-N 2 2 282.388 0.296 20 0 CCADLP CO[C@@H]1CC[C@H]([NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000851863030 616706310 /nfs/dbraw/zinc/70/63/10/616706310.db2.gz JHSWHZBUMWFEJL-RRFJBIMHSA-N 2 2 295.427 0.968 20 0 CCADLP CO[C@@H]1CC[C@H]([NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000851863030 616706313 /nfs/dbraw/zinc/70/63/13/616706313.db2.gz JHSWHZBUMWFEJL-RRFJBIMHSA-N 2 2 295.427 0.968 20 0 CCADLP COCC(COC)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000930903228 616725499 /nfs/dbraw/zinc/72/54/99/616725499.db2.gz HUMIOLGAUFFJQF-CYBMUJFWSA-N 2 2 260.378 0.036 20 0 CCADLP COCC(COC)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000930903228 616725502 /nfs/dbraw/zinc/72/55/02/616725502.db2.gz HUMIOLGAUFFJQF-CYBMUJFWSA-N 2 2 260.378 0.036 20 0 CCADLP COCC(COC)[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000929525757 616727451 /nfs/dbraw/zinc/72/74/51/616727451.db2.gz ATMRHXVOJXBJPI-UHFFFAOYSA-N 2 2 295.383 0.874 20 0 CCADLP COC(=O)[C@]1(F)CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903768463 616771659 /nfs/dbraw/zinc/77/16/59/616771659.db2.gz NPPBXUAOYJWMBX-YPMHNXCESA-N 2 2 258.337 0.963 20 0 CCADLP COC(=O)[C@]1(F)CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903768463 616771662 /nfs/dbraw/zinc/77/16/62/616771662.db2.gz NPPBXUAOYJWMBX-YPMHNXCESA-N 2 2 258.337 0.963 20 0 CCADLP COC(=O)[C@]12C[C@H]1CCC[N@@H+]2C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903788507 616807405 /nfs/dbraw/zinc/80/74/05/616807405.db2.gz MUNMLAKNQWTAPL-VDERGJSUSA-N 2 2 294.395 0.783 20 0 CCADLP COC(=O)[C@]12C[C@H]1CCC[N@H+]2C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903788507 616807407 /nfs/dbraw/zinc/80/74/07/616807407.db2.gz MUNMLAKNQWTAPL-VDERGJSUSA-N 2 2 294.395 0.783 20 0 CCADLP COC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000961888407 616816923 /nfs/dbraw/zinc/81/69/23/616816923.db2.gz NAWUAGRXMPWHIQ-WUWHUORYSA-N 2 2 278.356 0.034 20 0 CCADLP COC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000961888407 616816926 /nfs/dbraw/zinc/81/69/26/616816926.db2.gz NAWUAGRXMPWHIQ-WUWHUORYSA-N 2 2 278.356 0.034 20 0 CCADLP COC(=O)N1CCC[C@H]([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000817902951 616839882 /nfs/dbraw/zinc/83/98/82/616839882.db2.gz CIYHRXNKIDQWBE-IHRRRGAJSA-N 2 2 297.399 0.574 20 0 CCADLP CO[C@H]1C[C@@H](C[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000878292667 616860699 /nfs/dbraw/zinc/86/06/99/616860699.db2.gz PWZKPCUWEFEBBQ-VHDGCEQUSA-N 2 2 295.427 0.826 20 0 CCADLP CO[C@H]1C[C@@H](C[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000878292667 616860701 /nfs/dbraw/zinc/86/07/01/616860701.db2.gz PWZKPCUWEFEBBQ-VHDGCEQUSA-N 2 2 295.427 0.826 20 0 CCADLP COC(=O)c1ccc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])cc1C ZINC000904351181 616898552 /nfs/dbraw/zinc/89/85/52/616898552.db2.gz VXGLFSNPIIUZEW-AWEZNQCLSA-N 2 2 291.395 0.856 20 0 CCADLP COC(=O)c1ccc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1C ZINC000904351181 616898553 /nfs/dbraw/zinc/89/85/53/616898553.db2.gz VXGLFSNPIIUZEW-AWEZNQCLSA-N 2 2 291.395 0.856 20 0 CCADLP COCCN(C)C(=[NH2+])NCCc1cn2c([nH+]1)CCCC2 ZINC000871603909 616945732 /nfs/dbraw/zinc/94/57/32/616945732.db2.gz LTHCSPDYZWBTSG-UHFFFAOYSA-N 2 2 279.388 0.864 20 0 CCADLP COCC[N@H+](C)CCC[NH2+]Cc1c2c(nn1C)CCC2 ZINC000921525140 616954320 /nfs/dbraw/zinc/95/43/20/616954320.db2.gz VKMZQFKQKGGLIC-UHFFFAOYSA-N 2 2 280.416 0.967 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+]Cc1c2c(nn1C)CCC2 ZINC000921525140 616954322 /nfs/dbraw/zinc/95/43/22/616954322.db2.gz VKMZQFKQKGGLIC-UHFFFAOYSA-N 2 2 280.416 0.967 20 0 CCADLP COCC[N@H+](C)CCC[NH2+][C@H]1C(=O)NCC1(C)C ZINC000924656443 616956397 /nfs/dbraw/zinc/95/63/97/616956397.db2.gz QNHCQFKGLHTXOW-NSHDSACASA-N 2 2 257.378 0.069 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+][C@H]1C(=O)NCC1(C)C ZINC000924656443 616956399 /nfs/dbraw/zinc/95/63/99/616956399.db2.gz QNHCQFKGLHTXOW-NSHDSACASA-N 2 2 257.378 0.069 20 0 CCADLP C[NH2+]CCOc1cccc(C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000884220570 616970715 /nfs/dbraw/zinc/97/07/15/616970715.db2.gz WUQYKVRFOQOVQY-UHFFFAOYSA-N 2 2 288.351 0.980 20 0 CCADLP CON(C)C(=O)C1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000812871409 616999252 /nfs/dbraw/zinc/99/92/52/616999252.db2.gz GPHJGUFLLFHIAF-AWEZNQCLSA-N 2 2 299.415 0.173 20 0 CCADLP CON(C)C(=O)C1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000812871409 616999255 /nfs/dbraw/zinc/99/92/55/616999255.db2.gz GPHJGUFLLFHIAF-AWEZNQCLSA-N 2 2 299.415 0.173 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H](O)COC1CCOCC1 ZINC000923295590 616999616 /nfs/dbraw/zinc/99/96/16/616999616.db2.gz ZFAYKKZAZKKUJU-CHWSQXEVSA-N 2 2 272.389 0.227 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H](O)COC1CCOCC1 ZINC000923295590 616999623 /nfs/dbraw/zinc/99/96/23/616999623.db2.gz ZFAYKKZAZKKUJU-CHWSQXEVSA-N 2 2 272.389 0.227 20 0 CCADLP COC(=O)[C@@H]([NH2+]CCn1cc[nH+]c1C)C1CCOCC1 ZINC000880338811 617020153 /nfs/dbraw/zinc/02/01/53/617020153.db2.gz FSVWWECUKSDEHW-ZDUSSCGKSA-N 2 2 281.356 0.749 20 0 CCADLP COC(=O)[C@@H]([NH2+]CCCNC(=O)[C@H](C)[NH+](C)C)C(C)C ZINC000880164852 617020727 /nfs/dbraw/zinc/02/07/27/617020727.db2.gz IKKYSFJFBUMCOT-RYUDHWBXSA-N 2 2 287.404 0.230 20 0 CCADLP C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000911737236 617052612 /nfs/dbraw/zinc/05/26/12/617052612.db2.gz SKZITXZRCQRJKE-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP CNc1cc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nc[nH+]1 ZINC000894869882 617059615 /nfs/dbraw/zinc/05/96/15/617059615.db2.gz AEUZWQNKGOGSDD-CHWSQXEVSA-N 3 2 292.431 0.694 20 0 CCADLP CNc1cc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[nH+]cn1 ZINC000894869882 617059618 /nfs/dbraw/zinc/05/96/18/617059618.db2.gz AEUZWQNKGOGSDD-CHWSQXEVSA-N 3 2 292.431 0.694 20 0 CCADLP CON1CC[C@H]([N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)C1=O ZINC000930578615 617099339 /nfs/dbraw/zinc/09/93/39/617099339.db2.gz WBDSAYSTQPKRKO-JSGCOSHPSA-N 2 2 267.373 0.566 20 0 CCADLP CON1CC[C@H]([N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)C1=O ZINC000930578615 617099340 /nfs/dbraw/zinc/09/93/40/617099340.db2.gz WBDSAYSTQPKRKO-JSGCOSHPSA-N 2 2 267.373 0.566 20 0 CCADLP CON1CC[C@H]([NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)C1=O ZINC000930578615 617099341 /nfs/dbraw/zinc/09/93/41/617099341.db2.gz WBDSAYSTQPKRKO-JSGCOSHPSA-N 2 2 267.373 0.566 20 0 CCADLP CON1CC[C@H]([NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)C1=O ZINC000930578615 617099342 /nfs/dbraw/zinc/09/93/42/617099342.db2.gz WBDSAYSTQPKRKO-JSGCOSHPSA-N 2 2 267.373 0.566 20 0 CCADLP COc1c(C)c[nH+]c(CNC(=O)NC[C@@H](C)[NH3+])c1C ZINC000841766086 617145762 /nfs/dbraw/zinc/14/57/62/617145762.db2.gz ZDEVVEDMMOLDQT-SECBINFHSA-N 2 2 266.345 0.853 20 0 CCADLP CO[C@@H](C)C[NH+]1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000952393660 617153568 /nfs/dbraw/zinc/15/35/68/617153568.db2.gz IBQWUQDGFWRKHI-HNNXBMFYSA-N 2 2 297.443 0.897 20 0 CCADLP CC1CC(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cc[nH+]c2)C1 ZINC001026153594 625344537 /nfs/dbraw/zinc/34/45/37/625344537.db2.gz QLGUHOQFBKHPSI-RVZSJEDASA-N 2 2 288.395 0.976 20 0 CCADLP CC1CC(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cn2cc[nH+]c2)C1 ZINC001026153594 625344546 /nfs/dbraw/zinc/34/45/46/625344546.db2.gz QLGUHOQFBKHPSI-RVZSJEDASA-N 2 2 288.395 0.976 20 0 CCADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925550359 625404084 /nfs/dbraw/zinc/40/40/84/625404084.db2.gz RIMSVFDZNYTOSV-QWHCGFSZSA-N 3 2 254.422 0.352 20 0 CCADLP c1nc2c([nH]1)C[C@H]([NH2+][C@@H]1[C@H]3C[C@H]4C[NH2+][C@H]1[C@H]4C3)CC2 ZINC000925668482 625488511 /nfs/dbraw/zinc/48/85/11/625488511.db2.gz HXCFZYXVVNXVPR-XMVXOMRJSA-N 2 2 258.369 0.853 20 0 CCADLP C[C@H]([NH3+])[C@@H]([NH2+]C[C@H](O)Cn1ccnn1)c1ccccc1 ZINC000925685058 625558563 /nfs/dbraw/zinc/55/85/63/625558563.db2.gz FHNGHXGFJKMJBU-FPMFFAJLSA-N 2 2 275.356 0.317 20 0 CCADLP O=C1[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C[C@@H]2CCCCN12 ZINC000925692341 625591114 /nfs/dbraw/zinc/59/11/14/625591114.db2.gz JQYYQVKCGNSUTF-AAFZENKGSA-N 2 2 275.396 0.726 20 0 CCADLP NC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000926648855 623359419 /nfs/dbraw/zinc/35/94/19/623359419.db2.gz ZAHGPEDYCJFBCE-QNWHQSFQSA-N 2 2 251.374 0.857 20 0 CCADLP NC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000926648855 623359421 /nfs/dbraw/zinc/35/94/21/623359421.db2.gz ZAHGPEDYCJFBCE-QNWHQSFQSA-N 2 2 251.374 0.857 20 0 CCADLP CC[NH2+]C[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001025138092 623629218 /nfs/dbraw/zinc/62/92/18/623629218.db2.gz HAYBXIBWONDAQE-GFCCVEGCSA-N 2 2 264.373 0.953 20 0 CCADLP NC(=O)C1CC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000926811690 623699481 /nfs/dbraw/zinc/69/94/81/623699481.db2.gz ZAHGPEDYCJFBCE-TYUFSLCMSA-N 2 2 251.374 0.857 20 0 CCADLP NC(=O)C1CC([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000926811690 623699484 /nfs/dbraw/zinc/69/94/84/623699484.db2.gz ZAHGPEDYCJFBCE-TYUFSLCMSA-N 2 2 251.374 0.857 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](C/C=C/Cl)C[C@H]32)C1 ZINC001025719862 623875941 /nfs/dbraw/zinc/87/59/41/623875941.db2.gz OZLFMUPYSSXFHZ-XCNRMOIJSA-N 2 2 299.802 0.116 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](C/C=C/Cl)C[C@H]32)C1 ZINC001025719862 623875942 /nfs/dbraw/zinc/87/59/42/623875942.db2.gz OZLFMUPYSSXFHZ-XCNRMOIJSA-N 2 2 299.802 0.116 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C/C=C/Cl)C[C@H]32)C1 ZINC001025719862 623875949 /nfs/dbraw/zinc/87/59/49/623875949.db2.gz OZLFMUPYSSXFHZ-XCNRMOIJSA-N 2 2 299.802 0.116 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](C/C=C/Cl)C[C@H]32)C1 ZINC001025719862 623875953 /nfs/dbraw/zinc/87/59/53/623875953.db2.gz OZLFMUPYSSXFHZ-XCNRMOIJSA-N 2 2 299.802 0.116 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cnn(CCF)c1 ZINC000902444869 634386130 /nfs/dbraw/zinc/38/61/30/634386130.db2.gz IWWQJCFSMDZSRD-AAEUAGOBSA-N 2 2 270.352 0.709 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@@H]([NH2+]CC2CC2)C1 ZINC000969518815 624513415 /nfs/dbraw/zinc/51/34/15/624513415.db2.gz WRBGRNDQJOCRKC-CYBMUJFWSA-N 2 2 262.357 0.874 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC000970103961 624603167 /nfs/dbraw/zinc/60/31/67/624603167.db2.gz WEOFKJPJRSVSQX-OCCSQVGLSA-N 2 2 292.383 0.712 20 0 CCADLP C[C@@H](CC(=O)N1CC[C@@H]([NH2+]CCF)C1)n1cc[nH+]c1 ZINC000970128143 624612088 /nfs/dbraw/zinc/61/20/88/624612088.db2.gz BWPROFWRKUXAJO-NWDGAFQWSA-N 2 2 268.336 0.994 20 0 CCADLP Cn1cc(C[NH2+][C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)cn1 ZINC000970857831 624771556 /nfs/dbraw/zinc/77/15/56/624771556.db2.gz LWCZZETYQRXZKB-CYBMUJFWSA-N 2 2 288.355 0.007 20 0 CCADLP COc1ccc(NC(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000050247075 624803262 /nfs/dbraw/zinc/80/32/62/624803262.db2.gz DJBGNOWHNHATGS-LLVKDONJSA-N 2 2 263.341 0.914 20 0 CCADLP COc1ccc(NC(=O)C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000050247075 624803264 /nfs/dbraw/zinc/80/32/64/624803264.db2.gz DJBGNOWHNHATGS-LLVKDONJSA-N 2 2 263.341 0.914 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]2C[N@H+](CCO)CC[C@H]21 ZINC001021704630 624814073 /nfs/dbraw/zinc/81/40/73/624814073.db2.gz UEJVMQCNHNPYNF-QWHCGFSZSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]2C[N@@H+](CCO)CC[C@H]21 ZINC001021704630 624814074 /nfs/dbraw/zinc/81/40/74/624814074.db2.gz UEJVMQCNHNPYNF-QWHCGFSZSA-N 2 2 292.383 0.257 20 0 CCADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000091299608 624847917 /nfs/dbraw/zinc/84/79/17/624847917.db2.gz SIUCQAUSLFKFEP-CHWSQXEVSA-N 2 2 294.399 0.793 20 0 CCADLP Cc1noc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001021895726 624850398 /nfs/dbraw/zinc/85/03/98/624850398.db2.gz PVYJTAUAWJCSIW-GRYCIOLGSA-N 2 2 293.371 0.209 20 0 CCADLP Cc1noc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC001021895726 624850399 /nfs/dbraw/zinc/85/03/99/624850399.db2.gz PVYJTAUAWJCSIW-GRYCIOLGSA-N 2 2 293.371 0.209 20 0 CCADLP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001022302146 624917628 /nfs/dbraw/zinc/91/76/28/624917628.db2.gz DCVGRHPBSWWQCJ-UTUOFQBUSA-N 2 2 262.357 0.702 20 0 CCADLP CS(=O)(=O)c1ccc(C[NH2+]CC2([NH3+])CC2)cc1 ZINC000088131110 624929470 /nfs/dbraw/zinc/92/94/70/624929470.db2.gz XZIRCGAIMCNVOD-UHFFFAOYSA-N 2 2 254.355 0.671 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC)C1 ZINC001022492164 625008366 /nfs/dbraw/zinc/00/83/66/625008366.db2.gz BZIIFXRGNFQLII-HZSPNIEDSA-N 2 2 283.416 0.744 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC)C1 ZINC001022492164 625008367 /nfs/dbraw/zinc/00/83/67/625008367.db2.gz BZIIFXRGNFQLII-HZSPNIEDSA-N 2 2 283.416 0.744 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H](C[NH2+]C[C@@H]2CCOC2)C1 ZINC001027245818 625765288 /nfs/dbraw/zinc/76/52/88/625765288.db2.gz GIZSBCNFLFXSGG-KGLIPLIRSA-N 2 2 292.383 0.358 20 0 CCADLP C[C@H]([NH3+])[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1ccccc1 ZINC000925725569 625881649 /nfs/dbraw/zinc/88/16/49/625881649.db2.gz AMTNIHQIUCOEAG-WCQYABFASA-N 2 2 299.440 0.979 20 0 CCADLP Cc1cc(CN2CC[NH+](C[C@@H]3C[NH2+]C[C@H]3C)CC2)no1 ZINC000903440747 634562822 /nfs/dbraw/zinc/56/28/22/634562822.db2.gz BIMOHVVNVOMBBY-OCCSQVGLSA-N 2 2 278.400 0.956 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903442229 634567115 /nfs/dbraw/zinc/56/71/15/634567115.db2.gz LHDUMNYCKYKTAU-RDBSUJKOSA-N 2 2 294.443 0.127 20 0 CCADLP C[C@@H](C(=O)NC1CC1)N1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903442229 634567125 /nfs/dbraw/zinc/56/71/25/634567125.db2.gz LHDUMNYCKYKTAU-RDBSUJKOSA-N 2 2 294.443 0.127 20 0 CCADLP O=C1CCCN1CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903484929 634579580 /nfs/dbraw/zinc/57/95/80/634579580.db2.gz GNTFLAYKWKJKPD-GFCCVEGCSA-N 2 2 251.374 0.873 20 0 CCADLP O=S1(=O)CCCN1CC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000903713458 634633182 /nfs/dbraw/zinc/63/31/82/634633182.db2.gz RGGWOHRUIFMMCN-UHFFFAOYSA-N 2 2 287.429 0.238 20 0 CCADLP O=S1(=O)CCCN1CC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000903713458 634633188 /nfs/dbraw/zinc/63/31/88/634633188.db2.gz RGGWOHRUIFMMCN-UHFFFAOYSA-N 2 2 287.429 0.238 20 0 CCADLP c1cnc(N2CC[NH+](C[C@H]3CCCC[NH2+]C3)CC2)cn1 ZINC000903736955 634637024 /nfs/dbraw/zinc/63/70/24/634637024.db2.gz OAFVRFHIGVNZFA-AWEZNQCLSA-N 2 2 275.400 0.988 20 0 CCADLP [NH3+]C[C@H]1CCCC[N@@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903779249 634649637 /nfs/dbraw/zinc/64/96/37/634649637.db2.gz XHLANWVGGAKXCS-HZSPNIEDSA-N 3 2 253.390 0.568 20 0 CCADLP [NH3+]C[C@H]1CCCC[N@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903779249 634649646 /nfs/dbraw/zinc/64/96/46/634649646.db2.gz XHLANWVGGAKXCS-HZSPNIEDSA-N 3 2 253.390 0.568 20 0 CCADLP O[C@H](C[N@@H+]1CC[NH2+]CCC12CCOCC2)C(F)(F)F ZINC000903818138 634653802 /nfs/dbraw/zinc/65/38/02/634653802.db2.gz XYHXDQXCGVPURA-SNVBAGLBSA-N 2 2 282.306 0.754 20 0 CCADLP O[C@H](C[N@H+]1CC[NH2+]CCC12CCOCC2)C(F)(F)F ZINC000903818138 634653806 /nfs/dbraw/zinc/65/38/06/634653806.db2.gz XYHXDQXCGVPURA-SNVBAGLBSA-N 2 2 282.306 0.754 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000903859854 634669797 /nfs/dbraw/zinc/66/97/97/634669797.db2.gz PCTNWQZDSYOKET-YRGRVCCFSA-N 3 2 251.374 0.321 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000903859854 634669803 /nfs/dbraw/zinc/66/98/03/634669803.db2.gz PCTNWQZDSYOKET-YRGRVCCFSA-N 3 2 251.374 0.321 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@H+](C)Cc2cnccn2)cnn1C ZINC000903888417 634670504 /nfs/dbraw/zinc/67/05/04/634670504.db2.gz BRGBBGDHNNLFHR-CYBMUJFWSA-N 2 2 288.399 0.768 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)Cc2cnccn2)cnn1C ZINC000903888417 634670510 /nfs/dbraw/zinc/67/05/10/634670510.db2.gz BRGBBGDHNNLFHR-CYBMUJFWSA-N 2 2 288.399 0.768 20 0 CCADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cnn1C ZINC000903892562 634678308 /nfs/dbraw/zinc/67/83/08/634678308.db2.gz JPEJJYNKTVOAPE-GJZGRUSLSA-N 3 2 293.459 0.729 20 0 CCADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cnn1C ZINC000903892562 634678313 /nfs/dbraw/zinc/67/83/13/634678313.db2.gz JPEJJYNKTVOAPE-GJZGRUSLSA-N 3 2 293.459 0.729 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[NH+]2CCC3(CC[NH2+]3)CC2)cnn1C ZINC000903930550 634690781 /nfs/dbraw/zinc/69/07/81/634690781.db2.gz ZSZGYBAWFZQOAV-CQSZACIVSA-N 3 2 291.443 0.674 20 0 CCADLP c1cc(N2CC[NH2+]CC2)oc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000904350232 634732001 /nfs/dbraw/zinc/73/20/01/634732001.db2.gz IUYMHJZDESLCAV-HIFRSBDPSA-N 3 2 290.411 0.873 20 0 CCADLP c1cc(N2CC[NH2+]CC2)oc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000904350232 634732007 /nfs/dbraw/zinc/73/20/07/634732007.db2.gz IUYMHJZDESLCAV-HIFRSBDPSA-N 3 2 290.411 0.873 20 0 CCADLP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1csnn1)CC2 ZINC000904392268 634737923 /nfs/dbraw/zinc/73/79/23/634737923.db2.gz OKFBWEVKAHFGTC-LLVKDONJSA-N 2 2 268.386 0.868 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000905002342 634775977 /nfs/dbraw/zinc/77/59/77/634775977.db2.gz GWTFTYPUFRSJEB-OUAUKWLOSA-N 2 2 251.334 0.179 20 0 CCADLP O[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1(O)CCCC1 ZINC000905076337 634797326 /nfs/dbraw/zinc/79/73/26/634797326.db2.gz OSAJVMKHEUSCTG-HZSPNIEDSA-N 2 2 284.400 0.105 20 0 CCADLP O[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1(O)CCCC1 ZINC000905076337 634797332 /nfs/dbraw/zinc/79/73/32/634797332.db2.gz OSAJVMKHEUSCTG-HZSPNIEDSA-N 2 2 284.400 0.105 20 0 CCADLP Cn1cncc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010368872 631349832 /nfs/dbraw/zinc/34/98/32/631349832.db2.gz HRDDVVDVFMZKNH-GXTWGEPZSA-N 2 2 291.399 0.205 20 0 CCADLP Cn1cncc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010368872 631349841 /nfs/dbraw/zinc/34/98/41/631349841.db2.gz HRDDVVDVFMZKNH-GXTWGEPZSA-N 2 2 291.399 0.205 20 0 CCADLP Cn1cncc1C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001010368872 631349846 /nfs/dbraw/zinc/34/98/46/631349846.db2.gz HRDDVVDVFMZKNH-GXTWGEPZSA-N 2 2 291.399 0.205 20 0 CCADLP Cn1cncc1C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001010368872 631349851 /nfs/dbraw/zinc/34/98/51/631349851.db2.gz HRDDVVDVFMZKNH-GXTWGEPZSA-N 2 2 291.399 0.205 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000950731954 631557272 /nfs/dbraw/zinc/55/72/72/631557272.db2.gz CNVHNVFPUYXYPK-CQSZACIVSA-N 2 2 292.383 0.666 20 0 CCADLP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1nccn2c[nH+]cc12 ZINC000894233199 631615889 /nfs/dbraw/zinc/61/58/89/631615889.db2.gz OMQOELIXZYSZBM-RYUDHWBXSA-N 2 2 275.356 0.621 20 0 CCADLP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1c1nccn2c[nH+]cc12 ZINC000894233199 631615893 /nfs/dbraw/zinc/61/58/93/631615893.db2.gz OMQOELIXZYSZBM-RYUDHWBXSA-N 2 2 275.356 0.621 20 0 CCADLP C[C@H](CC[NH2+]Cc1cnc(N(C)C)nc1)[NH+](C)C ZINC000895297350 632048261 /nfs/dbraw/zinc/04/82/61/632048261.db2.gz LENNCAHMAZIAFK-LLVKDONJSA-N 2 2 251.378 0.972 20 0 CCADLP C[C@H](NC(=O)[C@H]1CC[N@@H+]1C(C)(C)C)[C@@H]1C[NH+](C)CCO1 ZINC000897077269 632390869 /nfs/dbraw/zinc/39/08/69/632390869.db2.gz JIADLVGLBZSMRU-XQQFMLRXSA-N 2 2 283.416 0.695 20 0 CCADLP C[C@H](NC(=O)[C@H]1CC[N@H+]1C(C)(C)C)[C@@H]1C[NH+](C)CCO1 ZINC000897077269 632390874 /nfs/dbraw/zinc/39/08/74/632390874.db2.gz JIADLVGLBZSMRU-XQQFMLRXSA-N 2 2 283.416 0.695 20 0 CCADLP C[C@H](NC(=O)[C@H]1CC[NH+]1C(C)(C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000897077269 632390878 /nfs/dbraw/zinc/39/08/78/632390878.db2.gz JIADLVGLBZSMRU-XQQFMLRXSA-N 2 2 283.416 0.695 20 0 CCADLP C[C@H](NC(=O)[C@H]1CC[NH+]1C(C)(C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000897077269 632390883 /nfs/dbraw/zinc/39/08/83/632390883.db2.gz JIADLVGLBZSMRU-XQQFMLRXSA-N 2 2 283.416 0.695 20 0 CCADLP OCC[N@@H+]1CCC[C@H]2[C@H]1CCN2c1nccn2c[nH+]cc12 ZINC000897220363 632424183 /nfs/dbraw/zinc/42/41/83/632424183.db2.gz WLHDVBQGCGYXAE-OLZOCXBDSA-N 2 2 287.367 0.765 20 0 CCADLP OCC[N@H+]1CCC[C@H]2[C@H]1CCN2c1nccn2c[nH+]cc12 ZINC000897220363 632424192 /nfs/dbraw/zinc/42/41/92/632424192.db2.gz WLHDVBQGCGYXAE-OLZOCXBDSA-N 2 2 287.367 0.765 20 0 CCADLP CC(C)[C@H](C[NH2+]Cc1ncc[nH]1)N1CC[NH+](C)CC1 ZINC000049715667 632486426 /nfs/dbraw/zinc/48/64/26/632486426.db2.gz TUOGEWOXXHHDQY-ZDUSSCGKSA-N 2 2 265.405 0.771 20 0 CCADLP O=C(N[C@H]1CCC[N@@H+](CCO)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001007634797 650086791 /nfs/dbraw/zinc/08/67/91/650086791.db2.gz DAZPBUCPNYBVPS-LBPRGKRZSA-N 2 2 288.351 0.749 20 0 CCADLP O=C(N[C@H]1CCC[N@H+](CCO)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001007634797 650086793 /nfs/dbraw/zinc/08/67/93/650086793.db2.gz DAZPBUCPNYBVPS-LBPRGKRZSA-N 2 2 288.351 0.749 20 0 CCADLP O=C(N[C@@H]1CCn2c[nH+]cc2C1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000898098449 633278405 /nfs/dbraw/zinc/27/84/05/633278405.db2.gz ZARHDGYPPAVQFZ-CHWSQXEVSA-N 2 2 290.367 0.035 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000989562594 633329292 /nfs/dbraw/zinc/32/92/92/633329292.db2.gz HZBMXAXYYBQXFD-LBPRGKRZSA-N 2 2 294.399 0.830 20 0 CCADLP CO[C@@H](C)C[N@H+]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000989562594 633329295 /nfs/dbraw/zinc/32/92/95/633329295.db2.gz HZBMXAXYYBQXFD-LBPRGKRZSA-N 2 2 294.399 0.830 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]([NH2+]CCF)C[C@@H]1C ZINC000989724532 633348880 /nfs/dbraw/zinc/34/88/80/633348880.db2.gz AGNLBHJSHNCSEZ-ONGXEEELSA-N 2 2 268.336 0.809 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCF)CN1C(=O)Cn1cc[nH+]c1 ZINC000989853371 633364741 /nfs/dbraw/zinc/36/47/41/633364741.db2.gz IDDZIAMMGYYTML-GHMZBOCLSA-N 2 2 254.309 0.432 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC[C@@H]1CNC(=O)C1 ZINC000926986644 633570245 /nfs/dbraw/zinc/57/02/45/633570245.db2.gz OCDLXJQVBISQME-MDZLAQPJSA-N 2 2 251.374 0.585 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC[C@@H]1CNC(=O)C1 ZINC000926986644 633570248 /nfs/dbraw/zinc/57/02/48/633570248.db2.gz OCDLXJQVBISQME-MDZLAQPJSA-N 2 2 251.374 0.585 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)CC1(O)CCCC1 ZINC000905264754 634831404 /nfs/dbraw/zinc/83/14/04/634831404.db2.gz WHORWKJAJQPYPP-NEPJUHHUSA-N 2 2 279.384 0.913 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2nncs2)CC1 ZINC000905294239 634834623 /nfs/dbraw/zinc/83/46/23/634834623.db2.gz SPAQOVAJTYZNKC-UHFFFAOYSA-N 2 2 270.362 0.083 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000907762878 635200945 /nfs/dbraw/zinc/20/09/45/635200945.db2.gz HESNSHKAOYMUGM-UHFFFAOYSA-N 2 2 260.301 0.024 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC000907836363 635222226 /nfs/dbraw/zinc/22/22/26/635222226.db2.gz NMYQCNUAIOVVML-ZDUSSCGKSA-N 2 2 281.400 0.261 20 0 CCADLP O=C(CNc1cccc[nH+]1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000908539616 635407668 /nfs/dbraw/zinc/40/76/68/635407668.db2.gz CHJDIRLRMRNEBY-ZDUSSCGKSA-N 2 2 292.383 0.457 20 0 CCADLP O=C(CNc1cccc[nH+]1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000908539616 635407687 /nfs/dbraw/zinc/40/76/87/635407687.db2.gz CHJDIRLRMRNEBY-ZDUSSCGKSA-N 2 2 292.383 0.457 20 0 CCADLP Cn1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)cn1 ZINC001010369867 650207176 /nfs/dbraw/zinc/20/71/76/650207176.db2.gz PELFIMUUQDWIJY-KBPBESRZSA-N 2 2 291.399 0.205 20 0 CCADLP Cn1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)cn1 ZINC001010369867 650207179 /nfs/dbraw/zinc/20/71/79/650207179.db2.gz PELFIMUUQDWIJY-KBPBESRZSA-N 2 2 291.399 0.205 20 0 CCADLP Cn1cc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC001010369867 650207183 /nfs/dbraw/zinc/20/71/83/650207183.db2.gz PELFIMUUQDWIJY-KBPBESRZSA-N 2 2 291.399 0.205 20 0 CCADLP Cn1cc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)cn1 ZINC001010369867 650207185 /nfs/dbraw/zinc/20/71/85/650207185.db2.gz PELFIMUUQDWIJY-KBPBESRZSA-N 2 2 291.399 0.205 20 0 CCADLP Cc1cc(CNC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)cc(C)[nH+]1 ZINC000911167600 636186317 /nfs/dbraw/zinc/18/63/17/636186317.db2.gz GYIPJGODDAEDID-HIFRSBDPSA-N 2 2 277.368 0.770 20 0 CCADLP Cc1cc(CNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)cc(C)[nH+]1 ZINC000911167600 636186320 /nfs/dbraw/zinc/18/63/20/636186320.db2.gz GYIPJGODDAEDID-HIFRSBDPSA-N 2 2 277.368 0.770 20 0 CCADLP O=C(NCC[C@H]1CC[NH2+]C1)[C@H]1CCc2c[nH+]cn2C1 ZINC000911769283 636372931 /nfs/dbraw/zinc/37/29/31/636372931.db2.gz TVKHNKTYTOGJSP-NEPJUHHUSA-N 2 2 262.357 0.561 20 0 CCADLP C[C@@](C[NH3+])(NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000911803163 636395667 /nfs/dbraw/zinc/39/56/67/636395667.db2.gz PHQCFQOYVYSHLP-HZMBPMFUSA-N 2 2 262.357 0.689 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)[C@H]([NH3+])c2ccccc2)C[C@H]1C ZINC000168016242 636988521 /nfs/dbraw/zinc/98/85/21/636988521.db2.gz NHJVWTPNIVHSPA-UKRRQHHQSA-N 2 2 291.395 0.866 20 0 CCADLP COCC[N@H+]1CCN(C(=O)[C@H]([NH3+])c2ccccc2)C[C@H]1C ZINC000168016242 636988528 /nfs/dbraw/zinc/98/85/28/636988528.db2.gz NHJVWTPNIVHSPA-UKRRQHHQSA-N 2 2 291.395 0.866 20 0 CCADLP CCNS(=O)(=O)CC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000230986110 637195171 /nfs/dbraw/zinc/19/51/71/637195171.db2.gz BUUDEFDWBYHUAB-QWHCGFSZSA-N 2 2 283.397 0.660 20 0 CCADLP O=C(NC12CC[NH+](CC1)C2)[C@H]1CCc2c[nH+]cn2C1 ZINC000913634145 637391976 /nfs/dbraw/zinc/39/19/76/637391976.db2.gz CWPAMAFAQAZJGW-NSHDSACASA-N 2 2 260.341 0.410 20 0 CCADLP CCOC(=O)[C@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000312623313 637407983 /nfs/dbraw/zinc/40/79/83/637407983.db2.gz GTZFKBHAPRPQEG-KBPBESRZSA-N 2 2 284.400 0.718 20 0 CCADLP CCOC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000312623313 637407986 /nfs/dbraw/zinc/40/79/86/637407986.db2.gz GTZFKBHAPRPQEG-KBPBESRZSA-N 2 2 284.400 0.718 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@H]1CC[NH+]1C ZINC000925424259 637774733 /nfs/dbraw/zinc/77/47/33/637774733.db2.gz LGUDWKDOSWYQDF-VXGBXAGGSA-N 2 2 254.378 0.426 20 0 CCADLP CC[C@@H]1C[NH+](C)CCN1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925424259 637774765 /nfs/dbraw/zinc/77/47/65/637774765.db2.gz LGUDWKDOSWYQDF-VXGBXAGGSA-N 2 2 254.378 0.426 20 0 CCADLP CC[C@@H]1C[NH+](C)CCN1C(=O)NC[C@H]1CC[N@H+]1C ZINC000925424259 637774770 /nfs/dbraw/zinc/77/47/70/637774770.db2.gz LGUDWKDOSWYQDF-VXGBXAGGSA-N 2 2 254.378 0.426 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)NCC2([NH+](C)C)CC2)CCO1 ZINC000915826951 637797702 /nfs/dbraw/zinc/79/77/02/637797702.db2.gz FXMYCNWQYDCMIY-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC2([NH+](C)C)CC2)CCO1 ZINC000915826951 637797704 /nfs/dbraw/zinc/79/77/04/637797704.db2.gz FXMYCNWQYDCMIY-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP COCC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000994231668 637878490 /nfs/dbraw/zinc/87/84/90/637878490.db2.gz OKNAIGCXTLNQSF-JSGCOSHPSA-N 2 2 294.399 0.578 20 0 CCADLP COCC[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000994231668 637878494 /nfs/dbraw/zinc/87/84/94/637878494.db2.gz OKNAIGCXTLNQSF-JSGCOSHPSA-N 2 2 294.399 0.578 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@H+](CCO)[C@H]1C ZINC000994299171 637918936 /nfs/dbraw/zinc/91/89/36/637918936.db2.gz UHAUDDDBOUICMU-RYUDHWBXSA-N 2 2 280.372 0.222 20 0 CCADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CCF ZINC000939535333 638376030 /nfs/dbraw/zinc/37/60/30/638376030.db2.gz QATDAWDIKOWMNA-CMPLNLGQSA-N 2 2 268.336 0.369 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N2CC[C@@H]3OCC[NH+](C)[C@@H]3C2)CC[N@@H+]1C ZINC000925344503 638938170 /nfs/dbraw/zinc/93/81/70/638938170.db2.gz QMZNWJJCDTUWQN-SYQHCUMBSA-N 2 2 296.415 0.194 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N2CC[C@@H]3OCC[NH+](C)[C@@H]3C2)CC[N@H+]1C ZINC000925344503 638938171 /nfs/dbraw/zinc/93/81/71/638938171.db2.gz QMZNWJJCDTUWQN-SYQHCUMBSA-N 2 2 296.415 0.194 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)CC[NH+]1C ZINC000925344503 638938172 /nfs/dbraw/zinc/93/81/72/638938172.db2.gz QMZNWJJCDTUWQN-SYQHCUMBSA-N 2 2 296.415 0.194 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)CC[NH+]1C ZINC000925344503 638938173 /nfs/dbraw/zinc/93/81/73/638938173.db2.gz QMZNWJJCDTUWQN-SYQHCUMBSA-N 2 2 296.415 0.194 20 0 CCADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]([NH2+]CCF)C1 ZINC000999537866 638984989 /nfs/dbraw/zinc/98/49/89/638984989.db2.gz UZNRUJKRPAAINS-QWHCGFSZSA-N 2 2 294.374 0.996 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001000425773 639083905 /nfs/dbraw/zinc/08/39/05/639083905.db2.gz IYQDYZOUTCEIAB-RYUDHWBXSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001000425773 639083911 /nfs/dbraw/zinc/08/39/11/639083911.db2.gz IYQDYZOUTCEIAB-RYUDHWBXSA-N 2 2 280.372 0.161 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)NCC2=CC[NH+](CCF)CC2)C1 ZINC001000546951 639118427 /nfs/dbraw/zinc/11/84/27/639118427.db2.gz LNZDHLFYIFNGGC-CYBMUJFWSA-N 2 2 285.363 0.035 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)NCC2=CC[NH+](CCF)CC2)C1 ZINC001000546951 639118431 /nfs/dbraw/zinc/11/84/31/639118431.db2.gz LNZDHLFYIFNGGC-CYBMUJFWSA-N 2 2 285.363 0.035 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)NCC2=CC[N@H+](CCF)CC2)C1 ZINC001000546951 639118434 /nfs/dbraw/zinc/11/84/34/639118434.db2.gz LNZDHLFYIFNGGC-CYBMUJFWSA-N 2 2 285.363 0.035 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)NCC2=CC[N@@H+](CCF)CC2)C1 ZINC001000546951 639118438 /nfs/dbraw/zinc/11/84/38/639118438.db2.gz LNZDHLFYIFNGGC-CYBMUJFWSA-N 2 2 285.363 0.035 20 0 CCADLP Cc1[nH]c(CN2CCN(C(=O)C[NH+](C)C)CC2)c(C)[nH+]1 ZINC000929259192 639453093 /nfs/dbraw/zinc/45/30/93/639453093.db2.gz UDFMPOCCKQLJCU-UHFFFAOYSA-N 2 2 279.388 0.232 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000922477522 639706129 /nfs/dbraw/zinc/70/61/29/639706129.db2.gz ALGAOXQRIUCHAE-JTQLQIEISA-N 2 2 299.444 0.954 20 0 CCADLP [NH3+]C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000923280970 640068417 /nfs/dbraw/zinc/06/84/17/640068417.db2.gz MOTMWSUOZLZGNL-MJBXVCDLSA-N 2 2 272.389 0.356 20 0 CCADLP [NH3+]C[C@@H]1CCCC[N@H+]1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000923280970 640068423 /nfs/dbraw/zinc/06/84/23/640068423.db2.gz MOTMWSUOZLZGNL-MJBXVCDLSA-N 2 2 272.389 0.356 20 0 CCADLP O=C(C[NH+]1CCN(CCC[NH2+]C2CC2)CC1)N1CCCC1 ZINC000923319582 640080768 /nfs/dbraw/zinc/08/07/68/640080768.db2.gz PORWAZMPBWIPKB-UHFFFAOYSA-N 2 2 294.443 0.369 20 0 CCADLP COCC[NH+]1CCC(N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001006058587 640098870 /nfs/dbraw/zinc/09/88/70/640098870.db2.gz DCQULQIPQLYZCN-UHFFFAOYSA-N 2 2 280.372 0.521 20 0 CCADLP O[C@@H](Cn1cccn1)C[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000923363917 640102566 /nfs/dbraw/zinc/10/25/66/640102566.db2.gz FEAYNTWDASZKJR-ILXRZTDVSA-N 2 2 278.400 0.851 20 0 CCADLP O[C@@H](Cn1cccn1)C[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000923363917 640102571 /nfs/dbraw/zinc/10/25/71/640102571.db2.gz FEAYNTWDASZKJR-ILXRZTDVSA-N 2 2 278.400 0.851 20 0 CCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCO[C@@H](C(F)(F)F)CC2)C1 ZINC000923427112 640133108 /nfs/dbraw/zinc/13/31/08/640133108.db2.gz RIRAZJWQVKAGEB-AATLWQCWSA-N 2 2 268.279 0.490 20 0 CCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCO[C@@H](C(F)(F)F)CC2)C1 ZINC000923427112 640133110 /nfs/dbraw/zinc/13/31/10/640133110.db2.gz RIRAZJWQVKAGEB-AATLWQCWSA-N 2 2 268.279 0.490 20 0 CCADLP [NH3+][C@@]1(CO)CCC[N@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000923470546 640152065 /nfs/dbraw/zinc/15/20/65/640152065.db2.gz HJKKKOSGZIPJFO-CVEARBPZSA-N 2 2 278.396 0.766 20 0 CCADLP [NH3+][C@@]1(CO)CCC[N@@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000923470546 640152074 /nfs/dbraw/zinc/15/20/74/640152074.db2.gz HJKKKOSGZIPJFO-CVEARBPZSA-N 2 2 278.396 0.766 20 0 CCADLP [NH3+][C@]1(CO)CCC[N@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)C1 ZINC000923474745 640155053 /nfs/dbraw/zinc/15/50/53/640155053.db2.gz VKRGAJLKIMVXBY-IGQOVBAYSA-N 2 2 254.374 0.730 20 0 CCADLP [NH3+][C@]1(CO)CCC[N@@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)C1 ZINC000923474745 640155062 /nfs/dbraw/zinc/15/50/62/640155062.db2.gz VKRGAJLKIMVXBY-IGQOVBAYSA-N 2 2 254.374 0.730 20 0 CCADLP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923514665 640172440 /nfs/dbraw/zinc/17/24/40/640172440.db2.gz LRGHIFORRUKMAY-OASPWFOLSA-N 2 2 293.415 0.891 20 0 CCADLP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000923514665 640172446 /nfs/dbraw/zinc/17/24/46/640172446.db2.gz LRGHIFORRUKMAY-OASPWFOLSA-N 2 2 293.415 0.891 20 0 CCADLP O[C@H](Cn1cccn1)C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923536143 640180419 /nfs/dbraw/zinc/18/04/19/640180419.db2.gz MXYIMHUOLYOULV-KBPBESRZSA-N 2 2 264.373 0.462 20 0 CCADLP O[C@H](Cn1cccn1)C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923536143 640180424 /nfs/dbraw/zinc/18/04/24/640180424.db2.gz MXYIMHUOLYOULV-KBPBESRZSA-N 2 2 264.373 0.462 20 0 CCADLP O=S(=O)(NCc1ccccc1-n1cc[nH+]c1)C1C[NH2+]C1 ZINC000923593659 640203873 /nfs/dbraw/zinc/20/38/73/640203873.db2.gz CGINILZADBWXLJ-UHFFFAOYSA-N 2 2 292.364 0.264 20 0 CCADLP CCn1ncc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000839095559 640295308 /nfs/dbraw/zinc/29/53/08/640295308.db2.gz IGMKHLOBAHDUOF-UHFFFAOYSA-N 2 2 294.447 0.756 20 0 CCADLP CCn1ncc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000839095559 640295317 /nfs/dbraw/zinc/29/53/17/640295317.db2.gz IGMKHLOBAHDUOF-UHFFFAOYSA-N 2 2 294.447 0.756 20 0 CCADLP O=C(CCCC[NH+]1CCOCC1)OCCn1cc[nH+]c1 ZINC000803513040 640738739 /nfs/dbraw/zinc/73/87/39/640738739.db2.gz NDUBOUCKKRALMR-UHFFFAOYSA-N 2 2 281.356 0.929 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](CCF)C2)C1 ZINC001015709464 650613040 /nfs/dbraw/zinc/61/30/40/650613040.db2.gz VXYCFHNSYBCMBY-VXGBXAGGSA-N 2 2 257.353 0.488 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](CCF)C2)C1 ZINC001015709464 650613042 /nfs/dbraw/zinc/61/30/42/650613042.db2.gz VXYCFHNSYBCMBY-VXGBXAGGSA-N 2 2 257.353 0.488 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CCF)C2)C1 ZINC001015709464 650613044 /nfs/dbraw/zinc/61/30/44/650613044.db2.gz VXYCFHNSYBCMBY-VXGBXAGGSA-N 2 2 257.353 0.488 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CCF)C2)C1 ZINC001015709464 650613047 /nfs/dbraw/zinc/61/30/47/650613047.db2.gz VXYCFHNSYBCMBY-VXGBXAGGSA-N 2 2 257.353 0.488 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)N1CC[NH+](C)CC1 ZINC000114076506 650653386 /nfs/dbraw/zinc/65/33/86/650653386.db2.gz MXTMYMJFFAZYDF-HUUCEWRRSA-N 2 2 296.459 0.469 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)N1CC[NH+](C)CC1 ZINC000114076506 650653387 /nfs/dbraw/zinc/65/33/87/650653387.db2.gz MXTMYMJFFAZYDF-HUUCEWRRSA-N 2 2 296.459 0.469 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+]1CCN(C)CC1 ZINC000114076506 650653388 /nfs/dbraw/zinc/65/33/88/650653388.db2.gz MXTMYMJFFAZYDF-HUUCEWRRSA-N 2 2 296.459 0.469 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+]1CCN(C)CC1 ZINC000114076506 650653390 /nfs/dbraw/zinc/65/33/90/650653390.db2.gz MXTMYMJFFAZYDF-HUUCEWRRSA-N 2 2 296.459 0.469 20 0 CCADLP O=C(N[C@H]1CC[N@@H+](CCF)C1)C12CC[NH+](CC1)C2 ZINC001016004492 650673270 /nfs/dbraw/zinc/67/32/70/650673270.db2.gz XXSVQHODLDIVRQ-NSHDSACASA-N 2 2 255.337 0.242 20 0 CCADLP O=C(N[C@H]1CC[N@H+](CCF)C1)C12CC[NH+](CC1)C2 ZINC001016004492 650673273 /nfs/dbraw/zinc/67/32/73/650673273.db2.gz XXSVQHODLDIVRQ-NSHDSACASA-N 2 2 255.337 0.242 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C[NH+]1CCCC1 ZINC000822535705 641678479 /nfs/dbraw/zinc/67/84/79/641678479.db2.gz BHUUPGFJJIYCAE-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000823473586 641766684 /nfs/dbraw/zinc/76/66/84/641766684.db2.gz BFBVACFRMYBMKH-ZIAGYGMSSA-N 2 2 279.388 0.372 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000823473586 641766690 /nfs/dbraw/zinc/76/66/90/641766690.db2.gz BFBVACFRMYBMKH-ZIAGYGMSSA-N 2 2 279.388 0.372 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC12CC[NH+](CCO)CC2 ZINC001016950064 650773185 /nfs/dbraw/zinc/77/31/85/650773185.db2.gz JKUHAIASQYJHHC-ZDUSSCGKSA-N 2 2 292.383 0.224 20 0 CCADLP CC[NH+]1CCC2(C[C@H]2NC(=O)Cn2cc[nH+]c2)CC1 ZINC001016994482 650775937 /nfs/dbraw/zinc/77/59/37/650775937.db2.gz MUVXCHKNWOPJPN-GFCCVEGCSA-N 2 2 262.357 0.874 20 0 CCADLP CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001017442330 650803191 /nfs/dbraw/zinc/80/31/91/650803191.db2.gz WRHCRMNKGDXQFP-QLFBSQMISA-N 2 2 295.427 0.792 20 0 CCADLP CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001017442330 650803193 /nfs/dbraw/zinc/80/31/93/650803193.db2.gz WRHCRMNKGDXQFP-QLFBSQMISA-N 2 2 295.427 0.792 20 0 CCADLP CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001017442330 650803195 /nfs/dbraw/zinc/80/31/95/650803195.db2.gz WRHCRMNKGDXQFP-QLFBSQMISA-N 2 2 295.427 0.792 20 0 CCADLP CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001017442330 650803199 /nfs/dbraw/zinc/80/31/99/650803199.db2.gz WRHCRMNKGDXQFP-QLFBSQMISA-N 2 2 295.427 0.792 20 0 CCADLP C[C@H]([NH3+])c1nc(-c2ccc(N3CC[NH+](C)CC3)nc2)no1 ZINC000843199615 643012278 /nfs/dbraw/zinc/01/22/78/643012278.db2.gz ZDBVHPPIMBUNRN-JTQLQIEISA-N 2 2 288.355 0.903 20 0 CCADLP [NH3+]CCCCCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000843344289 643036364 /nfs/dbraw/zinc/03/63/64/643036364.db2.gz UBUYZGDSDROYBY-UONOGXRCSA-N 3 2 255.406 0.862 20 0 CCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[N@H+](C)[C@H](C)C1)CC2 ZINC000845638014 643336492 /nfs/dbraw/zinc/33/64/92/643336492.db2.gz KLWKDJPHBMXOMY-YPMHNXCESA-N 2 2 276.384 0.916 20 0 CCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[N@@H+](C)[C@H](C)C1)CC2 ZINC000845638014 643336496 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292.383 0.662 20 0 CCADLP CO[C@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001018001905 650839927 /nfs/dbraw/zinc/83/99/27/650839927.db2.gz WLXLUJSYEVUEQL-BNOWGMLFSA-N 2 2 292.383 0.662 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+](CCS(C)(=O)=O)C1CC1 ZINC000846833654 643461953 /nfs/dbraw/zinc/46/19/53/643461953.db2.gz DHBKUELJXDHTAR-UHFFFAOYSA-N 2 2 285.413 0.862 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+](CCS(C)(=O)=O)C1CC1 ZINC000846833654 643461958 /nfs/dbraw/zinc/46/19/58/643461958.db2.gz DHBKUELJXDHTAR-UHFFFAOYSA-N 2 2 285.413 0.862 20 0 CCADLP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CCc2[nH+]ccn2C1 ZINC000848426457 643635694 /nfs/dbraw/zinc/63/56/94/643635694.db2.gz CPDQYGVPKXSUTP-VHSXEESVSA-N 2 2 284.310 0.559 20 0 CCADLP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC[N@H+]1CC=CCC1 ZINC000849024711 643702986 /nfs/dbraw/zinc/70/29/86/643702986.db2.gz SQYUSCLQEVUQMJ-UHFFFAOYSA-N 3 2 295.431 0.085 20 0 CCADLP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC[N@@H+]1CC=CCC1 ZINC000849024711 643702993 /nfs/dbraw/zinc/70/29/93/643702993.db2.gz SQYUSCLQEVUQMJ-UHFFFAOYSA-N 3 2 295.431 0.085 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000851670507 643868633 /nfs/dbraw/zinc/86/86/33/643868633.db2.gz SCRWSOYKIINNJQ-RYUDHWBXSA-N 2 2 277.372 0.671 20 0 CCADLP O=C1CC[C@@H](C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)O1 ZINC000852152884 643936477 /nfs/dbraw/zinc/93/64/77/643936477.db2.gz DIWOGVGOVXXENL-ZDUSSCGKSA-N 2 2 282.384 0.519 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC2(CNC(=O)N2C)CC1 ZINC000852192097 643941551 /nfs/dbraw/zinc/94/15/51/643941551.db2.gz OEPWYZMYMPVUOQ-CYBMUJFWSA-N 2 2 298.431 0.177 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC2(CNC(=O)N2C)CC1 ZINC000852192097 643941556 /nfs/dbraw/zinc/94/15/56/643941556.db2.gz OEPWYZMYMPVUOQ-CYBMUJFWSA-N 2 2 298.431 0.177 20 0 CCADLP O=C(CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)C1CC1 ZINC000852707994 643988817 /nfs/dbraw/zinc/98/88/17/643988817.db2.gz NSCCLKBRFTYZIQ-CQSZACIVSA-N 2 2 266.385 0.887 20 0 CCADLP O=C(CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)C1CC1 ZINC000852707994 643988819 /nfs/dbraw/zinc/98/88/19/643988819.db2.gz NSCCLKBRFTYZIQ-CQSZACIVSA-N 2 2 266.385 0.887 20 0 CCADLP [NH3+]CC[N@H+](CC[C@H]1CC1(Cl)Cl)C[C@H](O)CO ZINC000852753385 643994719 /nfs/dbraw/zinc/99/47/19/643994719.db2.gz JBGSKZZNSYSLSU-IUCAKERBSA-N 2 2 271.188 0.184 20 0 CCADLP [NH3+]CC[N@@H+](CC[C@H]1CC1(Cl)Cl)C[C@H](O)CO ZINC000852753385 643994723 /nfs/dbraw/zinc/99/47/23/643994723.db2.gz JBGSKZZNSYSLSU-IUCAKERBSA-N 2 2 271.188 0.184 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000857107987 644468769 /nfs/dbraw/zinc/46/87/69/644468769.db2.gz LICKRCAXUQVDOQ-WCQYABFASA-N 2 2 278.356 0.982 20 0 CCADLP NC(=O)COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000857229804 644485318 /nfs/dbraw/zinc/48/53/18/644485318.db2.gz HOKFTHDWRVOKKU-BBRMVZONSA-N 2 2 289.379 0.864 20 0 CCADLP NC(=O)COc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cc1 ZINC000857229804 644485323 /nfs/dbraw/zinc/48/53/23/644485323.db2.gz HOKFTHDWRVOKKU-BBRMVZONSA-N 2 2 289.379 0.864 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@H]([NH2+]CCF)C1 ZINC001018994119 650927721 /nfs/dbraw/zinc/92/77/21/650927721.db2.gz HBSKZTCEYBUFTG-HBNTYKKESA-N 2 2 266.320 0.673 20 0 CCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[C@H]([NH2+]CCF)C1)C2 ZINC001019062281 650934507 /nfs/dbraw/zinc/93/45/07/650934507.db2.gz NLVMPAUERVBKPG-RYUDHWBXSA-N 2 2 294.374 0.983 20 0 CCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[C@H]([NH2+]CCF)C1)CC2 ZINC001019062281 650934512 /nfs/dbraw/zinc/93/45/12/650934512.db2.gz NLVMPAUERVBKPG-RYUDHWBXSA-N 2 2 294.374 0.983 20 0 CCADLP Cn1ccnc1C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001019437197 650973195 /nfs/dbraw/zinc/97/31/95/650973195.db2.gz HLEAKVIOTINYLO-NSHDSACASA-N 2 2 288.355 0.076 20 0 CCADLP O=C([C@H](O)c1c[nH+]c[nH]1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000864602839 645246153 /nfs/dbraw/zinc/24/61/53/645246153.db2.gz UEUXYQNGZNYOTN-CYBMUJFWSA-N 2 2 287.323 0.187 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]([NH2+]CCF)C1 ZINC001019723017 651000929 /nfs/dbraw/zinc/00/09/29/651000929.db2.gz YZBVCMNHVFYGCQ-NSHDSACASA-N 2 2 268.336 0.513 20 0 CCADLP O=C([C@@H](O)c1c[nH+]c[nH]1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000865124022 645325664 /nfs/dbraw/zinc/32/56/64/645325664.db2.gz APBGEGFNDSQQRU-PWSUYJOCSA-N 2 2 264.329 0.140 20 0 CCADLP C[C@@H](O)[C@H](O)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000865739849 645409745 /nfs/dbraw/zinc/40/97/45/645409745.db2.gz WOBGFGLJINUDBQ-BXKDBHETSA-N 2 2 267.354 0.765 20 0 CCADLP Cn1cncc1C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001019869242 651011883 /nfs/dbraw/zinc/01/18/83/651011883.db2.gz WBJLCIORNWRWRS-LBPRGKRZSA-N 2 2 288.355 0.007 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000866539563 645542247 /nfs/dbraw/zinc/54/22/47/645542247.db2.gz CVLBLQDBIFADIK-CLGDDFHISA-N 2 2 293.411 0.474 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000866539563 645542255 /nfs/dbraw/zinc/54/22/55/645542255.db2.gz CVLBLQDBIFADIK-CLGDDFHISA-N 2 2 293.411 0.474 20 0 CCADLP O=C(/C=C/C[NH+]1CCOCC1)NCC12CCC[NH+]1CCC2 ZINC000867937374 645685664 /nfs/dbraw/zinc/68/56/64/645685664.db2.gz DRANTXSUDDCEMN-DAFODLJHSA-N 2 2 293.411 0.619 20 0 CCADLP C[C@H](CCNC(=O)/C=C\C[NH+]1CCOCC1)[NH+](C)C ZINC000869241239 645861657 /nfs/dbraw/zinc/86/16/57/645861657.db2.gz BXOHYLGEFKBZCZ-DSYXLKISSA-N 2 2 269.389 0.331 20 0 CCADLP Cc1nn(C)c(Cl)c1CN1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000122712194 645913661 /nfs/dbraw/zinc/91/36/61/645913661.db2.gz OZWDAKWSTBIHRO-JTQLQIEISA-N 2 2 271.796 0.457 20 0 CCADLP Cc1nn(C)c(Cl)c1CN1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000122712194 645913670 /nfs/dbraw/zinc/91/36/70/645913670.db2.gz OZWDAKWSTBIHRO-JTQLQIEISA-N 2 2 271.796 0.457 20 0 CCADLP O=C(N[C@H]1C[C@H]([NH2+]CCF)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001020312279 651057990 /nfs/dbraw/zinc/05/79/90/651057990.db2.gz FSJCABSBDAQNIF-IJLUTSLNSA-N 2 2 280.347 0.652 20 0 CCADLP [NH3+][C@H]1C[C@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000870972006 646067048 /nfs/dbraw/zinc/06/70/48/646067048.db2.gz NJICJDUAGNTJLS-XYPYZODXSA-N 2 2 271.324 0.734 20 0 CCADLP C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000123951822 646208386 /nfs/dbraw/zinc/20/83/86/646208386.db2.gz LAPRDLHCPRYOFW-RYUDHWBXSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000123951822 646208391 /nfs/dbraw/zinc/20/83/91/646208391.db2.gz LAPRDLHCPRYOFW-RYUDHWBXSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1CC2(CO1)CCOCC2 ZINC000872145595 646211985 /nfs/dbraw/zinc/21/19/85/646211985.db2.gz UTZFZQWCKYIBFV-AVGNSLFASA-N 2 2 254.374 0.994 20 0 CCADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CC2(CO1)CCOCC2 ZINC000872145595 646211987 /nfs/dbraw/zinc/21/19/87/646211987.db2.gz UTZFZQWCKYIBFV-AVGNSLFASA-N 2 2 254.374 0.994 20 0 CCADLP Cn1cc(N2CC[C@H]([N@@H+]3C[C@@H]4C[NH2+]C[C@]4(C)C3)C2=O)cn1 ZINC000872154611 646214504 /nfs/dbraw/zinc/21/45/04/646214504.db2.gz YGVWNZUTWPIYFD-CORIIIEPSA-N 2 2 289.383 0.067 20 0 CCADLP Cn1cc(N2CC[C@H]([N@H+]3C[C@@H]4C[NH2+]C[C@]4(C)C3)C2=O)cn1 ZINC000872154611 646214510 /nfs/dbraw/zinc/21/45/10/646214510.db2.gz YGVWNZUTWPIYFD-CORIIIEPSA-N 2 2 289.383 0.067 20 0 CCADLP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCn1cnc3ccccc3c1=O)C2 ZINC000872153293 646215075 /nfs/dbraw/zinc/21/50/75/646215075.db2.gz HIMDMPDEDGQESJ-SUMWQHHRSA-N 2 2 298.390 0.938 20 0 CCADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCn1cnc3ccccc3c1=O)C2 ZINC000872153293 646215080 /nfs/dbraw/zinc/21/50/80/646215080.db2.gz HIMDMPDEDGQESJ-SUMWQHHRSA-N 2 2 298.390 0.938 20 0 CCADLP Cc1c[nH]nc1C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872257083 646230432 /nfs/dbraw/zinc/23/04/32/646230432.db2.gz KVOZGRXXGXAINU-RTXFEEFZSA-N 2 2 291.355 0.085 20 0 CCADLP Cc1c[nH]nc1C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872257083 646230436 /nfs/dbraw/zinc/23/04/36/646230436.db2.gz KVOZGRXXGXAINU-RTXFEEFZSA-N 2 2 291.355 0.085 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000873238982 646365064 /nfs/dbraw/zinc/36/50/64/646365064.db2.gz LCMQQEOWGMNZFN-FXWFOLBNSA-N 2 2 266.385 0.766 20 0 CCADLP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000874253239 646436199 /nfs/dbraw/zinc/43/61/99/646436199.db2.gz KTNYWQQHEIJLFB-FDYHWXHSSA-N 2 2 290.367 0.493 20 0 CCADLP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000874253239 646436204 /nfs/dbraw/zinc/43/62/04/646436204.db2.gz KTNYWQQHEIJLFB-FDYHWXHSSA-N 2 2 290.367 0.493 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000876305102 646595071 /nfs/dbraw/zinc/59/50/71/646595071.db2.gz BKJJUSOMXNBHHD-GFCCVEGCSA-N 2 2 295.387 0.066 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000876305102 646595074 /nfs/dbraw/zinc/59/50/74/646595074.db2.gz BKJJUSOMXNBHHD-GFCCVEGCSA-N 2 2 295.387 0.066 20 0 CCADLP O=C([C@H](F)[C@H]1CC[NH2+]C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000876709086 646647374 /nfs/dbraw/zinc/64/73/74/646647374.db2.gz IQMOAKZPNFSVTC-BFHYXJOUSA-N 2 2 299.390 0.257 20 0 CCADLP O=C(CN1CC[NH2+]CC1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000876742183 646654481 /nfs/dbraw/zinc/65/44/81/646654481.db2.gz RNTKHXLHFMRCID-UHFFFAOYSA-N 2 2 299.378 0.394 20 0 CCADLP Cc1cn2cc(NC(=O)[C@@H](N)C[NH+](C)C)ccc2[nH+]1 ZINC000876749234 646657167 /nfs/dbraw/zinc/65/71/67/646657167.db2.gz MKLVHDKZPZXVQF-NSHDSACASA-N 2 2 261.329 0.470 20 0 CCADLP [NH3+]CC[C@@H](NC(=O)/C=C/C[NH+]1CCOCC1)C(F)(F)F ZINC000876870435 646686935 /nfs/dbraw/zinc/68/69/35/646686935.db2.gz KOAVMBKGJMGZRB-TXXBHVLJSA-N 2 2 295.305 0.271 20 0 CCADLP [NH3+]CC[C@@H](NC(=O)/C=C\C[NH+]1CCOCC1)C(F)(F)F ZINC000876870433 646687161 /nfs/dbraw/zinc/68/71/61/646687161.db2.gz KOAVMBKGJMGZRB-JWXWKVPASA-N 2 2 295.305 0.271 20 0 CCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876887991 646690802 /nfs/dbraw/zinc/69/08/02/646690802.db2.gz LTXPKDZUUHRNCS-SCRDCRAPSA-N 2 2 292.358 0.724 20 0 CCADLP NS(=O)(=O)c1cccc(C[NH2+]CCn2cc[nH+]c2)c1 ZINC000876891531 646692141 /nfs/dbraw/zinc/69/21/41/646692141.db2.gz ACYMATAWWWNPHW-UHFFFAOYSA-N 2 2 280.353 0.320 20 0 CCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877273405 646775844 /nfs/dbraw/zinc/77/58/44/646775844.db2.gz DMHJUATYCICQJQ-UPJWGTAASA-N 2 2 274.368 0.798 20 0 CCADLP OC[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1CO ZINC000877766161 646841179 /nfs/dbraw/zinc/84/11/79/646841179.db2.gz ZRYKDJFNRBZENF-GASCZTMLSA-N 2 2 287.363 0.905 20 0 CCADLP OC[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1CO ZINC000877766161 646841181 /nfs/dbraw/zinc/84/11/81/646841181.db2.gz ZRYKDJFNRBZENF-GASCZTMLSA-N 2 2 287.363 0.905 20 0 CCADLP CC(C)[C@H](O)CC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000879357125 647049331 /nfs/dbraw/zinc/04/93/31/647049331.db2.gz UZRYTQBZCQNTFI-CYBMUJFWSA-N 2 2 271.405 0.099 20 0 CCADLP CC(C)[C@H](O)CC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000879357125 647049333 /nfs/dbraw/zinc/04/93/33/647049333.db2.gz UZRYTQBZCQNTFI-CYBMUJFWSA-N 2 2 271.405 0.099 20 0 CCADLP CC(C)[C@@H](O)CC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000879357126 647049500 /nfs/dbraw/zinc/04/95/00/647049500.db2.gz UZRYTQBZCQNTFI-ZDUSSCGKSA-N 2 2 271.405 0.099 20 0 CCADLP CC(C)[C@@H](O)CC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000879357126 647049504 /nfs/dbraw/zinc/04/95/04/647049504.db2.gz UZRYTQBZCQNTFI-ZDUSSCGKSA-N 2 2 271.405 0.099 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](CC1CC1)[C@H](C(N)=O)C1CC1 ZINC000879487390 647064830 /nfs/dbraw/zinc/06/48/30/647064830.db2.gz WBDWRAWIZKYMOH-CABCVRRESA-N 2 2 297.443 0.663 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](CC1CC1)[C@H](C(N)=O)C1CC1 ZINC000879487390 647064837 /nfs/dbraw/zinc/06/48/37/647064837.db2.gz WBDWRAWIZKYMOH-CABCVRRESA-N 2 2 297.443 0.663 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](CC1CC1)[C@H](C(N)=O)C1CC1 ZINC000879487390 647064843 /nfs/dbraw/zinc/06/48/43/647064843.db2.gz WBDWRAWIZKYMOH-CABCVRRESA-N 2 2 297.443 0.663 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](CC1CC1)[C@H](C(N)=O)C1CC1 ZINC000879487390 647064845 /nfs/dbraw/zinc/06/48/45/647064845.db2.gz WBDWRAWIZKYMOH-CABCVRRESA-N 2 2 297.443 0.663 20 0 CCADLP O[C@H](C[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1)C1CC1 ZINC000880206866 647170485 /nfs/dbraw/zinc/17/04/85/647170485.db2.gz LOXPAMYFRWPQFQ-LSDHHAIUSA-N 2 2 268.401 0.990 20 0 CCADLP O[C@H](C[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1)C1CC1 ZINC000880206866 647170489 /nfs/dbraw/zinc/17/04/89/647170489.db2.gz LOXPAMYFRWPQFQ-LSDHHAIUSA-N 2 2 268.401 0.990 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2C[NH2+]CC2(C)C)[C@H](C)CO1 ZINC000884401551 647728115 /nfs/dbraw/zinc/72/81/15/647728115.db2.gz TYYMYSFZIARXKT-JHJVBQTASA-N 2 2 283.416 0.457 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2C[NH2+]CC2(C)C)[C@H](C)CO1 ZINC000884401551 647728122 /nfs/dbraw/zinc/72/81/22/647728122.db2.gz TYYMYSFZIARXKT-JHJVBQTASA-N 2 2 283.416 0.457 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[NH2+]CC2(C)C)[C@H](C)CO1 ZINC000884401552 647728320 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c1cc2c(s1)CC[N@@H+](CCN[C@H]1C[NH2+]CCOC1)C2 ZINC000925496172 648324043 /nfs/dbraw/zinc/32/40/43/648324043.db2.gz TWQJWPKFLXTKLH-ZDUSSCGKSA-N 2 2 281.425 0.684 20 0 CCADLP c1cc2c(s1)CC[N@H+](CCN[C@H]1C[NH2+]CCOC1)C2 ZINC000925496172 648324046 /nfs/dbraw/zinc/32/40/46/648324046.db2.gz TWQJWPKFLXTKLH-ZDUSSCGKSA-N 2 2 281.425 0.684 20 0 CCADLP NC(=O)c1ccc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cc1 ZINC000925508171 648439796 /nfs/dbraw/zinc/43/97/96/648439796.db2.gz ZDDYHGLZMNZCMD-BTFPBAQTSA-N 2 2 271.364 0.872 20 0 CCADLP c1c(CCN[C@H]2C[NH2+]CCOC2)[nH+]c2n1CCCC2 ZINC000925537151 648441369 /nfs/dbraw/zinc/44/13/69/648441369.db2.gz JRUGIZNYAFFOKW-ZDUSSCGKSA-N 2 2 264.373 0.340 20 0 CCADLP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@H]1CN(C)CCO1 ZINC000925617323 648447904 /nfs/dbraw/zinc/44/79/04/648447904.db2.gz PVROZFSNPACLIC-NZDOLIBDSA-N 2 2 265.401 0.292 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000925699860 648455005 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CCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C)C2 ZINC000928554734 648647684 /nfs/dbraw/zinc/64/76/84/648647684.db2.gz IOPZCQZHPVWEGW-VXGBXAGGSA-N 2 2 262.357 0.574 20 0 CCADLP O[C@H](C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1(O)CCOCC1 ZINC000929992048 648810129 /nfs/dbraw/zinc/81/01/29/648810129.db2.gz MNZPLHGUBDDLKI-CHWSQXEVSA-N 2 2 295.383 0.492 20 0 CCADLP O[C@H](C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1(O)CCOCC1 ZINC000929992048 648810132 /nfs/dbraw/zinc/81/01/32/648810132.db2.gz MNZPLHGUBDDLKI-CHWSQXEVSA-N 2 2 295.383 0.492 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1[C@H](C)C(=O)N[C@@H](C)[C@@H]1C ZINC000930839358 648914642 /nfs/dbraw/zinc/91/46/42/648914642.db2.gz WQYYAOBYXSYARU-GARJFASQSA-N 2 2 250.346 0.789 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1[C@H](C)C(=O)N[C@@H](C)[C@@H]1C ZINC000930839358 648914646 /nfs/dbraw/zinc/91/46/46/648914646.db2.gz WQYYAOBYXSYARU-GARJFASQSA-N 2 2 250.346 0.789 20 0 CCADLP C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@H+]1CCCc1c[nH+]cn1C ZINC000930842417 648916261 /nfs/dbraw/zinc/91/62/61/648916261.db2.gz LDWJOTUYQWYTCL-SDDRHHMPSA-N 2 2 264.373 0.950 20 0 CCADLP C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@@H+]1CCCc1c[nH+]cn1C ZINC000930842417 648916263 /nfs/dbraw/zinc/91/62/63/648916263.db2.gz LDWJOTUYQWYTCL-SDDRHHMPSA-N 2 2 264.373 0.950 20 0 CCADLP C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)[N@@H+]1CCc1c[nH+]cn1C ZINC000930910767 648924726 /nfs/dbraw/zinc/92/47/26/648924726.db2.gz HWPGQKHWTAZUPO-NQBHXWOUSA-N 2 2 264.373 0.937 20 0 CCADLP C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)[N@H+]1CCc1c[nH+]cn1C ZINC000930910767 648924728 /nfs/dbraw/zinc/92/47/28/648924728.db2.gz HWPGQKHWTAZUPO-NQBHXWOUSA-N 2 2 264.373 0.937 20 0 CCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000931720588 649021929 /nfs/dbraw/zinc/02/19/29/649021929.db2.gz ZLNRSDZVUOCHJZ-SEBNEYGDSA-N 2 2 266.385 0.959 20 0 CCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000931720588 649021933 /nfs/dbraw/zinc/02/19/33/649021933.db2.gz ZLNRSDZVUOCHJZ-SEBNEYGDSA-N 2 2 266.385 0.959 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000931720588 649021936 /nfs/dbraw/zinc/02/19/36/649021936.db2.gz ZLNRSDZVUOCHJZ-SEBNEYGDSA-N 2 2 266.385 0.959 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000931720588 649021940 /nfs/dbraw/zinc/02/19/40/649021940.db2.gz ZLNRSDZVUOCHJZ-SEBNEYGDSA-N 2 2 266.385 0.959 20 0 CCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H]1CCc2ncnn21 ZINC000931718804 649022117 /nfs/dbraw/zinc/02/21/17/649022117.db2.gz XEDLUOWPRIOKHJ-XQQFMLRXSA-N 2 2 261.373 0.934 20 0 CCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H]1CCc2ncnn21 ZINC000931718804 649022119 /nfs/dbraw/zinc/02/21/19/649022119.db2.gz XEDLUOWPRIOKHJ-XQQFMLRXSA-N 2 2 261.373 0.934 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H]1CCc2ncnn21 ZINC000931718804 649022122 /nfs/dbraw/zinc/02/21/22/649022122.db2.gz XEDLUOWPRIOKHJ-XQQFMLRXSA-N 2 2 261.373 0.934 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H]1CCc2ncnn21 ZINC000931718804 649022124 /nfs/dbraw/zinc/02/21/24/649022124.db2.gz XEDLUOWPRIOKHJ-XQQFMLRXSA-N 2 2 261.373 0.934 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC2(CCNC(=O)O2)CC1)C1CC1 ZINC000932759288 649089036 /nfs/dbraw/zinc/08/90/36/649089036.db2.gz KYBZFZNWOOBMNA-ZDUSSCGKSA-N 2 2 297.399 0.406 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC2(CCNC(=O)O2)CC1)C1CC1 ZINC000932759288 649089038 /nfs/dbraw/zinc/08/90/38/649089038.db2.gz KYBZFZNWOOBMNA-ZDUSSCGKSA-N 2 2 297.399 0.406 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC([C@@H]2COC(=O)N2)CC1 ZINC000932773206 649090651 /nfs/dbraw/zinc/09/06/51/649090651.db2.gz MUPWMRBAWCSLGX-KBPBESRZSA-N 2 2 299.415 0.508 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC([C@@H]2COC(=O)N2)CC1 ZINC000932773206 649090653 /nfs/dbraw/zinc/09/06/53/649090653.db2.gz MUPWMRBAWCSLGX-KBPBESRZSA-N 2 2 299.415 0.508 20 0 CCADLP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1cc2c[nH+]ccc2[nH]1 ZINC000935842410 649265541 /nfs/dbraw/zinc/26/55/41/649265541.db2.gz IALNMURBHKRCPE-CYBMUJFWSA-N 2 2 299.378 0.683 20 0 CCADLP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)c1cc2c[nH+]ccc2[nH]1 ZINC000935842410 649265544 /nfs/dbraw/zinc/26/55/44/649265544.db2.gz IALNMURBHKRCPE-CYBMUJFWSA-N 2 2 299.378 0.683 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CCCO)[C@@H](C)C1 ZINC000947979392 649357950 /nfs/dbraw/zinc/35/79/50/649357950.db2.gz GMYSLDSQQDFLPQ-WCQYABFASA-N 2 2 294.399 0.612 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CCCO)[C@@H](C)C1 ZINC000947979392 649357956 /nfs/dbraw/zinc/35/79/56/649357956.db2.gz GMYSLDSQQDFLPQ-WCQYABFASA-N 2 2 294.399 0.612 20 0 CCADLP Cc1cc(NC[C@H]2CN(C)CC[N@@H+]2C)nc(N)[nH+]1 ZINC000096474983 649814741 /nfs/dbraw/zinc/81/47/41/649814741.db2.gz KKQQYHYYNIYDEG-JTQLQIEISA-N 2 2 250.350 0.025 20 0 CCADLP Cc1cc(NC[C@H]2CN(C)CC[N@H+]2C)nc(N)[nH+]1 ZINC000096474983 649814743 /nfs/dbraw/zinc/81/47/43/649814743.db2.gz KKQQYHYYNIYDEG-JTQLQIEISA-N 2 2 250.350 0.025 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC[C@H]1CCC[N@H+]1CCO ZINC001266247910 790324901 /nfs/dbraw/zinc/32/49/01/790324901.db2.gz ZLCRUGVADFVVJZ-ZDUSSCGKSA-N 2 2 280.372 0.236 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC[C@H]1CCC[N@@H+]1CCO ZINC001266247910 790324910 /nfs/dbraw/zinc/32/49/10/790324910.db2.gz ZLCRUGVADFVVJZ-ZDUSSCGKSA-N 2 2 280.372 0.236 20 0 CCADLP Cc1ncoc1C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039028924 790408953 /nfs/dbraw/zinc/40/89/53/790408953.db2.gz SODIHQQVZXKTRN-OLZOCXBDSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1ncoc1C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001039028924 790408958 /nfs/dbraw/zinc/40/89/58/790408958.db2.gz SODIHQQVZXKTRN-OLZOCXBDSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1ncoc1C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039028924 790408965 /nfs/dbraw/zinc/40/89/65/790408965.db2.gz SODIHQQVZXKTRN-OLZOCXBDSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1ncoc1C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039028924 790408973 /nfs/dbraw/zinc/40/89/73/790408973.db2.gz SODIHQQVZXKTRN-OLZOCXBDSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1ncoc1C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039028926 790409527 /nfs/dbraw/zinc/40/95/27/790409527.db2.gz SODIHQQVZXKTRN-QWHCGFSZSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1ncoc1C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001039028926 790409539 /nfs/dbraw/zinc/40/95/39/790409539.db2.gz SODIHQQVZXKTRN-QWHCGFSZSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1ncoc1C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039028926 790409547 /nfs/dbraw/zinc/40/95/47/790409547.db2.gz SODIHQQVZXKTRN-QWHCGFSZSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1ncoc1C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039028926 790409555 /nfs/dbraw/zinc/40/95/55/790409555.db2.gz SODIHQQVZXKTRN-QWHCGFSZSA-N 2 2 292.383 0.625 20 0 CCADLP C[N@H+](CCN1CC[NH+](C)CC1)C[C@@H]1CCC[NH+](C)C1 ZINC001208613649 790431542 /nfs/dbraw/zinc/43/15/42/790431542.db2.gz XJHBAARHXJZZJR-OAHLLOKOSA-N 3 2 268.449 0.507 20 0 CCADLP C[N@@H+](CCN1CC[NH+](C)CC1)C[C@@H]1CCC[NH+](C)C1 ZINC001208613649 790431551 /nfs/dbraw/zinc/43/15/51/790431551.db2.gz XJHBAARHXJZZJR-OAHLLOKOSA-N 3 2 268.449 0.507 20 0 CCADLP C[NH+](CCN1CC[NH+](C)CC1)C[C@@H]1CCC[N@H+](C)C1 ZINC001208613649 790431558 /nfs/dbraw/zinc/43/15/58/790431558.db2.gz XJHBAARHXJZZJR-OAHLLOKOSA-N 3 2 268.449 0.507 20 0 CCADLP C[NH+](CCN1CC[NH+](C)CC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208613649 790431571 /nfs/dbraw/zinc/43/15/71/790431571.db2.gz XJHBAARHXJZZJR-OAHLLOKOSA-N 3 2 268.449 0.507 20 0 CCADLP C[C@@H](NC(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@H](C)[NH+]1CCOCC1 ZINC000891516386 791264883 /nfs/dbraw/zinc/26/48/83/791264883.db2.gz GOBGNHNEMUSYEJ-XQHKEYJVSA-N 2 2 284.404 0.132 20 0 CCADLP COCC[N@@H+]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001266539414 790900703 /nfs/dbraw/zinc/90/07/03/790900703.db2.gz AXNOECDHWMBDDD-NSHDSACASA-N 2 2 266.345 0.037 20 0 CCADLP COCC[N@H+]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001266539414 790900712 /nfs/dbraw/zinc/90/07/12/790900712.db2.gz AXNOECDHWMBDDD-NSHDSACASA-N 2 2 266.345 0.037 20 0 CCADLP CC(C)C[C@@H]([NH3+])C(=O)NCCNc1cccc[nH+]1 ZINC000204997030 791054736 /nfs/dbraw/zinc/05/47/36/791054736.db2.gz MHLOEMFPVYXEMR-LLVKDONJSA-N 2 2 250.346 0.983 20 0 CCADLP C[C@H]([NH3+])C[NH+]1CCC2(CC1)C(=O)NCN2c1ccccc1 ZINC000199474658 791076942 /nfs/dbraw/zinc/07/69/42/791076942.db2.gz ZTMXVUSCNIQMQY-ZDUSSCGKSA-N 2 2 288.395 0.762 20 0 CCADLP Cc1cc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)on1 ZINC001277606167 805892961 /nfs/dbraw/zinc/89/29/61/805892961.db2.gz AGTHYHUHYGZKCM-CABCVRRESA-N 2 2 294.399 0.430 20 0 CCADLP Cc1cc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)on1 ZINC001277606167 805892970 /nfs/dbraw/zinc/89/29/70/805892970.db2.gz AGTHYHUHYGZKCM-CABCVRRESA-N 2 2 294.399 0.430 20 0 CCADLP Cc1cc[nH+]c(N2CC3(C2)CC[N@@H+](CC(=O)N(C)C)C3)c1 ZINC001277680782 805957780 /nfs/dbraw/zinc/95/77/80/805957780.db2.gz NXYGAWMIRPJMAS-UHFFFAOYSA-N 2 2 288.395 0.990 20 0 CCADLP Cc1cc[nH+]c(N2CC3(C2)CC[N@H+](CC(=O)N(C)C)C3)c1 ZINC001277680782 805957786 /nfs/dbraw/zinc/95/77/86/805957786.db2.gz NXYGAWMIRPJMAS-UHFFFAOYSA-N 2 2 288.395 0.990 20 0 CCADLP COCCOC[N@@H+]1CCC2(CN(c3c[nH+]cn3C)C2)C1 ZINC001277769485 806026502 /nfs/dbraw/zinc/02/65/02/806026502.db2.gz FTHVGPRVDOPORO-UHFFFAOYSA-N 2 2 280.372 0.553 20 0 CCADLP COCCOC[N@H+]1CCC2(CN(c3c[nH+]cn3C)C2)C1 ZINC001277769485 806026511 /nfs/dbraw/zinc/02/65/11/806026511.db2.gz FTHVGPRVDOPORO-UHFFFAOYSA-N 2 2 280.372 0.553 20 0 CCADLP Cc1ncc(C[N@H+](C)CCN2CC[NH+](C)CC2)o1 ZINC001233367434 806044391 /nfs/dbraw/zinc/04/43/91/806044391.db2.gz HWTRMMZEIDFWJE-UHFFFAOYSA-N 2 2 252.362 0.662 20 0 CCADLP Cc1ncc(C[N@@H+](C)CCN2CC[NH+](C)CC2)o1 ZINC001233367434 806044399 /nfs/dbraw/zinc/04/43/99/806044399.db2.gz HWTRMMZEIDFWJE-UHFFFAOYSA-N 2 2 252.362 0.662 20 0 CCADLP C[C@H]1CC[N@H+](CCNC(=O)NCCCn2cc[nH+]c2)C1 ZINC000891426812 791215997 /nfs/dbraw/zinc/21/59/97/791215997.db2.gz PIRYSFWUWQNWOX-ZDUSSCGKSA-N 2 2 279.388 0.914 20 0 CCADLP C[C@H]1CC[N@@H+](CCNC(=O)NCCCn2cc[nH+]c2)C1 ZINC000891426812 791216001 /nfs/dbraw/zinc/21/60/01/791216001.db2.gz PIRYSFWUWQNWOX-ZDUSSCGKSA-N 2 2 279.388 0.914 20 0 CCADLP C[C@@H](NC(=O)N1CCCC[C@H]1C[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000891517872 791264852 /nfs/dbraw/zinc/26/48/52/791264852.db2.gz MOBYDGAXXIQJEC-RDBSUJKOSA-N 2 2 298.431 0.618 20 0 CCADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000723881701 791308863 /nfs/dbraw/zinc/30/88/63/791308863.db2.gz CYMRAGUYWFXQBH-GHMZBOCLSA-N 2 2 262.419 0.787 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001039476721 791442998 /nfs/dbraw/zinc/44/29/98/791442998.db2.gz KLOQSIDCHHEORT-MCIONIFRSA-N 2 2 292.383 0.329 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001039476721 791443003 /nfs/dbraw/zinc/44/30/03/791443003.db2.gz KLOQSIDCHHEORT-MCIONIFRSA-N 2 2 292.383 0.329 20 0 CCADLP COCCC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001267044073 791474995 /nfs/dbraw/zinc/47/49/95/791474995.db2.gz ODLJEDIFVUWXRQ-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP COCCC[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001267044073 791474996 /nfs/dbraw/zinc/47/49/96/791474996.db2.gz ODLJEDIFVUWXRQ-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP CC[N@H+](CCF)CCNC(=O)Cc1c[nH+]cn1C ZINC001267255975 793251257 /nfs/dbraw/zinc/25/12/57/793251257.db2.gz VFSDUZFQGSLTFH-UHFFFAOYSA-N 2 2 256.325 0.370 20 0 CCADLP CC[N@@H+](CCF)CCNC(=O)Cc1c[nH+]cn1C ZINC001267255975 793251265 /nfs/dbraw/zinc/25/12/65/793251265.db2.gz VFSDUZFQGSLTFH-UHFFFAOYSA-N 2 2 256.325 0.370 20 0 CCADLP C[C@H](CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CCCO ZINC001277861047 806263425 /nfs/dbraw/zinc/26/34/25/806263425.db2.gz ALYNREJIZAZBNN-OLZOCXBDSA-N 2 2 294.399 0.264 20 0 CCADLP Oc1cc(F)c(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c(F)c1 ZINC001234987076 806330690 /nfs/dbraw/zinc/33/06/90/806330690.db2.gz GAQXPOZOGFDFAU-AWEZNQCLSA-N 2 2 283.322 0.808 20 0 CCADLP c1cc2nonc2c(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1 ZINC001235053420 806355485 /nfs/dbraw/zinc/35/54/85/806355485.db2.gz SFJOFNCRASBRAB-AWEZNQCLSA-N 2 2 273.340 0.360 20 0 CCADLP c1cc2nonc2c(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1 ZINC001235053420 806355492 /nfs/dbraw/zinc/35/54/92/806355492.db2.gz SFJOFNCRASBRAB-AWEZNQCLSA-N 2 2 273.340 0.360 20 0 CCADLP c1[nH]nc2ccc(C[N@@H+]3CCN[C@@]4(CC[NH2+]C4)C3)cc12 ZINC001235054758 806358609 /nfs/dbraw/zinc/35/86/09/806358609.db2.gz SDGALGQEIULFNB-OAHLLOKOSA-N 2 2 271.368 0.700 20 0 CCADLP c1[nH]nc2ccc(C[N@H+]3CCN[C@@]4(CC[NH2+]C4)C3)cc12 ZINC001235054758 806358618 /nfs/dbraw/zinc/35/86/18/806358618.db2.gz SDGALGQEIULFNB-OAHLLOKOSA-N 2 2 271.368 0.700 20 0 CCADLP c1[nH]nc2cc(C[N@@H+]3CCN[C@@]4(CC[NH2+]C4)C3)ccc12 ZINC001235063112 806365991 /nfs/dbraw/zinc/36/59/91/806365991.db2.gz OHYGULMWVFPOFU-OAHLLOKOSA-N 2 2 271.368 0.700 20 0 CCADLP c1[nH]nc2cc(C[N@H+]3CCN[C@@]4(CC[NH2+]C4)C3)ccc12 ZINC001235063112 806365999 /nfs/dbraw/zinc/36/59/99/806365999.db2.gz OHYGULMWVFPOFU-OAHLLOKOSA-N 2 2 271.368 0.700 20 0 CCADLP C[N@@H+]1CCO[C@H]2CN(C[C@H]([NH3+])Cc3ccccc3)C[C@H]21 ZINC001235485258 806431652 /nfs/dbraw/zinc/43/16/52/806431652.db2.gz VFLYNIOGEZOMCY-OAGGEKHMSA-N 2 2 275.396 0.571 20 0 CCADLP C[N@H+]1CCO[C@H]2CN(C[C@H]([NH3+])Cc3ccccc3)C[C@H]21 ZINC001235485258 806431657 /nfs/dbraw/zinc/43/16/57/806431657.db2.gz VFLYNIOGEZOMCY-OAGGEKHMSA-N 2 2 275.396 0.571 20 0 CCADLP [NH3+]CC[N@H+]1C[C@H]2CN(C(=O)c3ccsc3)C[C@H]2C1 ZINC001235575277 806461576 /nfs/dbraw/zinc/46/15/76/806461576.db2.gz RATCWGBIYSQQBX-TXEJJXNPSA-N 2 2 265.382 0.711 20 0 CCADLP [NH3+]CC[N@@H+]1C[C@H]2CN(C(=O)c3ccsc3)C[C@H]2C1 ZINC001235575277 806461579 /nfs/dbraw/zinc/46/15/79/806461579.db2.gz RATCWGBIYSQQBX-TXEJJXNPSA-N 2 2 265.382 0.711 20 0 CCADLP COCCN1CCC2(CC[NH+](C[C@H](C)[NH3+])CC2)C1=O ZINC001235595181 806467194 /nfs/dbraw/zinc/46/71/94/806467194.db2.gz AZWOFRBQRDXOHL-LBPRGKRZSA-N 2 2 269.389 0.295 20 0 CCADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](CCCO)CC1 ZINC001235889433 806513509 /nfs/dbraw/zinc/51/35/09/806513509.db2.gz WFEBLURNSACIPN-CQSZACIVSA-N 2 2 256.390 0.944 20 0 CCADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](CCCO)CC1 ZINC001235889433 806513514 /nfs/dbraw/zinc/51/35/14/806513514.db2.gz WFEBLURNSACIPN-CQSZACIVSA-N 2 2 256.390 0.944 20 0 CCADLP CCOC(=O)c1nc2c(o1)CC[N@H+](CCCC[NH3+])C2 ZINC001236041543 806534542 /nfs/dbraw/zinc/53/45/42/806534542.db2.gz HQYPDYQRUOIBBQ-UHFFFAOYSA-N 2 2 267.329 0.948 20 0 CCADLP CCOC(=O)c1nc2c(o1)CC[N@@H+](CCCC[NH3+])C2 ZINC001236041543 806534546 /nfs/dbraw/zinc/53/45/46/806534546.db2.gz HQYPDYQRUOIBBQ-UHFFFAOYSA-N 2 2 267.329 0.948 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](CC2(C)CCOCC2)C[C@@H]1[NH3+] ZINC001236342833 806573111 /nfs/dbraw/zinc/57/31/11/806573111.db2.gz NUVWYRGHKUNRIN-MNOVXSKESA-N 2 2 256.346 0.235 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](CC2(C)CCOCC2)C[C@@H]1[NH3+] ZINC001236342833 806573117 /nfs/dbraw/zinc/57/31/17/806573117.db2.gz NUVWYRGHKUNRIN-MNOVXSKESA-N 2 2 256.346 0.235 20 0 CCADLP C[N@H+](CCNC(=O)OC(C)(C)C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236416398 806589972 /nfs/dbraw/zinc/58/99/72/806589972.db2.gz VHROSBZBAUUXSJ-URLYPYJESA-N 2 2 255.362 0.661 20 0 CCADLP C[N@@H+](CCNC(=O)OC(C)(C)C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236416398 806589979 /nfs/dbraw/zinc/58/99/79/806589979.db2.gz VHROSBZBAUUXSJ-URLYPYJESA-N 2 2 255.362 0.661 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC[C@@H](n3ccnn3)C2)O1 ZINC001236433845 806590882 /nfs/dbraw/zinc/59/08/82/806590882.db2.gz KVPZEXIZKFFWOA-NEPJUHHUSA-N 2 2 265.361 0.640 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC[C@@H](n3ccnn3)C2)O1 ZINC001236433845 806590890 /nfs/dbraw/zinc/59/08/90/806590890.db2.gz KVPZEXIZKFFWOA-NEPJUHHUSA-N 2 2 265.361 0.640 20 0 CCADLP CC(C)OC(=O)C[N@@H+]1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001277986599 806596228 /nfs/dbraw/zinc/59/62/28/806596228.db2.gz FYQCUNZRFXDJKR-UHFFFAOYSA-N 2 2 297.443 0.897 20 0 CCADLP CC(C)OC(=O)C[N@H+]1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001277986599 806596236 /nfs/dbraw/zinc/59/62/36/806596236.db2.gz FYQCUNZRFXDJKR-UHFFFAOYSA-N 2 2 297.443 0.897 20 0 CCADLP COCC[NH2+]C[C@@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001277989666 806597412 /nfs/dbraw/zinc/59/74/12/806597412.db2.gz FCYGTRXYTGYIOK-LBPRGKRZSA-N 2 2 280.372 0.488 20 0 CCADLP CCn1cncc1C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001237592150 806691573 /nfs/dbraw/zinc/69/15/73/806691573.db2.gz VEJAXMKUCXMZPR-UHFFFAOYSA-N 2 2 265.405 0.582 20 0 CCADLP O=C(N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C12CC(C1)C[NH2+]2 ZINC001121988600 799114963 /nfs/dbraw/zinc/11/49/63/799114963.db2.gz MKZCRNSDJFVNDD-IQLKVPPVSA-N 2 2 260.341 0.868 20 0 CCADLP C[C@@H](C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1)n1cc[nH+]c1 ZINC001122144984 799154630 /nfs/dbraw/zinc/15/46/30/799154630.db2.gz JLJQBHXXWDDKAZ-GRYCIOLGSA-N 2 2 250.346 0.887 20 0 CCADLP C[C@]1(CO)C[N@H+](Cc2cccc3c[nH+]cn32)CC[C@H]1O ZINC001238107302 806750286 /nfs/dbraw/zinc/75/02/86/806750286.db2.gz OZUVSIOVBAYUDJ-HUUCEWRRSA-N 2 2 275.352 0.900 20 0 CCADLP C[C@]1(CO)C[N@@H+](Cc2cccc3c[nH+]cn32)CC[C@H]1O ZINC001238107302 806750290 /nfs/dbraw/zinc/75/02/90/806750290.db2.gz OZUVSIOVBAYUDJ-HUUCEWRRSA-N 2 2 275.352 0.900 20 0 CCADLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1cc(O)cc(O)c1 ZINC001138331188 799720998 /nfs/dbraw/zinc/72/09/98/799720998.db2.gz QEXYARVVFQFCJF-UHFFFAOYSA-N 2 2 279.384 0.777 20 0 CCADLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cc(O)cc(O)c1 ZINC001138331188 799721004 /nfs/dbraw/zinc/72/10/04/799721004.db2.gz QEXYARVVFQFCJF-UHFFFAOYSA-N 2 2 279.384 0.777 20 0 CCADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001203022470 799904854 /nfs/dbraw/zinc/90/48/54/799904854.db2.gz ZBJFPDYTDWQUSP-GFCCVEGCSA-N 2 2 263.341 0.931 20 0 CCADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001203022470 799904859 /nfs/dbraw/zinc/90/48/59/799904859.db2.gz ZBJFPDYTDWQUSP-GFCCVEGCSA-N 2 2 263.341 0.931 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H](C[NH2+]CCO)C1CCCC1 ZINC001278242116 806788541 /nfs/dbraw/zinc/78/85/41/806788541.db2.gz USAHHQHVNJMQSL-AWEZNQCLSA-N 2 2 294.399 0.599 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H](C[NH2+]CCO)C1CCCC1 ZINC001278242116 806788546 /nfs/dbraw/zinc/78/85/46/806788546.db2.gz USAHHQHVNJMQSL-AWEZNQCLSA-N 2 2 294.399 0.599 20 0 CCADLP C[N@@H+](Cc1cccc(-n2cc[nH+]c2)c1)C[C@H](O)CO ZINC001141239494 799993361 /nfs/dbraw/zinc/99/33/61/799993361.db2.gz VDKSZDWBYZVKSE-AWEZNQCLSA-N 2 2 261.325 0.657 20 0 CCADLP C[N@H+](Cc1cccc(-n2cc[nH+]c2)c1)C[C@H](O)CO ZINC001141239494 799993368 /nfs/dbraw/zinc/99/33/68/799993368.db2.gz VDKSZDWBYZVKSE-AWEZNQCLSA-N 2 2 261.325 0.657 20 0 CCADLP CO[C@H](C)C[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149557734 800276436 /nfs/dbraw/zinc/27/64/36/800276436.db2.gz ALQVHACGNAXRBB-LLVKDONJSA-N 2 2 268.361 0.093 20 0 CCADLP Cc1ncoc1C[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149571309 800278029 /nfs/dbraw/zinc/27/80/29/800278029.db2.gz XSFQSWKHYLGTHT-UHFFFAOYSA-N 2 2 291.355 0.555 20 0 CCADLP CC(C)[N@@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001150597433 800349571 /nfs/dbraw/zinc/34/95/71/800349571.db2.gz VOUQZRSXMVIASQ-AWEZNQCLSA-N 2 2 294.399 0.578 20 0 CCADLP CC(C)[N@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001150597433 800349578 /nfs/dbraw/zinc/34/95/78/800349578.db2.gz VOUQZRSXMVIASQ-AWEZNQCLSA-N 2 2 294.399 0.578 20 0 CCADLP CC[N@@H+]1CCCO[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001150824348 800369926 /nfs/dbraw/zinc/36/99/26/800369926.db2.gz JZQCVMZWQCTKOG-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP CC[N@H+]1CCCO[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001150824348 800369932 /nfs/dbraw/zinc/36/99/32/800369932.db2.gz JZQCVMZWQCTKOG-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP Cc1conc1C[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151121705 800400610 /nfs/dbraw/zinc/40/06/10/800400610.db2.gz KMZUIZOOTDQAMY-UHFFFAOYSA-N 2 2 277.328 0.394 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]CCNC(=O)Cn2cc[nH+]c2C)n1 ZINC001151147194 800403804 /nfs/dbraw/zinc/40/38/04/800403804.db2.gz HVSTXFHVGAJOOG-SECBINFHSA-N 2 2 292.343 0.350 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)C[N@@H+](C)C(C)C)[nH]1 ZINC001152433100 800521166 /nfs/dbraw/zinc/52/11/66/800521166.db2.gz UTHNTBZPJPCFJF-JTQLQIEISA-N 2 2 282.392 0.220 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)C[N@H+](C)C(C)C)[nH]1 ZINC001152433100 800521170 /nfs/dbraw/zinc/52/11/70/800521170.db2.gz UTHNTBZPJPCFJF-JTQLQIEISA-N 2 2 282.392 0.220 20 0 CCADLP CC[N@H+](CCOC)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153115187 800599356 /nfs/dbraw/zinc/59/93/56/800599356.db2.gz QNHCFYPRAYIXPE-GFCCVEGCSA-N 2 2 282.388 0.815 20 0 CCADLP CC[N@@H+](CCOC)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153115187 800599358 /nfs/dbraw/zinc/59/93/58/800599358.db2.gz QNHCFYPRAYIXPE-GFCCVEGCSA-N 2 2 282.388 0.815 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]Cc1cccc(F)c1 ZINC001153487804 800633843 /nfs/dbraw/zinc/63/38/43/800633843.db2.gz QKULOAODPCRMSI-UHFFFAOYSA-N 2 2 276.315 0.928 20 0 CCADLP CC(C)COCC[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153495911 800635031 /nfs/dbraw/zinc/63/50/31/800635031.db2.gz QYQDPMJFZYZURM-UHFFFAOYSA-N 2 2 268.361 0.262 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]C[C@@H]1C[C@]12CCOC2 ZINC001153495260 800635534 /nfs/dbraw/zinc/63/55/34/800635534.db2.gz GIVRVPXLGVKKRA-JSGCOSHPSA-N 2 2 278.356 0.016 20 0 CCADLP CC(C)CCOCC[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153500102 800636676 /nfs/dbraw/zinc/63/66/76/800636676.db2.gz FQSKACHTRFHDLL-UHFFFAOYSA-N 2 2 282.388 0.652 20 0 CCADLP CCCCOCC[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153500893 800637172 /nfs/dbraw/zinc/63/71/72/800637172.db2.gz YPOUDUXSUBQPJO-UHFFFAOYSA-N 2 2 268.361 0.406 20 0 CCADLP [NH3+]CCS(=O)(=O)N1CCC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001239162587 806860015 /nfs/dbraw/zinc/86/00/15/806860015.db2.gz GWSYWCDQFIXEJP-GFCCVEGCSA-N 2 2 285.369 0.213 20 0 CCADLP CC[N@H+](CCOC)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001154529133 800795876 /nfs/dbraw/zinc/79/58/76/800795876.db2.gz XQSHFZSXTOHNJJ-CYBMUJFWSA-N 2 2 282.388 0.746 20 0 CCADLP CC[N@@H+](CCOC)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001154529133 800795879 /nfs/dbraw/zinc/79/58/79/800795879.db2.gz XQSHFZSXTOHNJJ-CYBMUJFWSA-N 2 2 282.388 0.746 20 0 CCADLP COC(=O)c1ccc(-n2c[nH+]cc2C2CC[NH2+]CC2)nn1 ZINC001155053968 800898888 /nfs/dbraw/zinc/89/88/88/800898888.db2.gz UVHCBRHSPMNMSK-UHFFFAOYSA-N 2 2 287.323 0.916 20 0 CCADLP Nc1cccc(NCc2cc(=O)n3c(n2)C[NH2+]CCC3)[nH+]1 ZINC001155487644 800988342 /nfs/dbraw/zinc/98/83/42/800988342.db2.gz KNISDALCPBTJGQ-UHFFFAOYSA-N 2 2 286.339 0.326 20 0 CCADLP COCC[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157264807 801334956 /nfs/dbraw/zinc/33/49/56/801334956.db2.gz LOOSCTKZLKQIAY-UHFFFAOYSA-N 2 2 254.334 0.085 20 0 CCADLP CC[N@H+](CCC[C@@H](C)O)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157293841 801345961 /nfs/dbraw/zinc/34/59/61/801345961.db2.gz MALSJFWKWUSPOL-ZIAGYGMSSA-N 2 2 296.415 0.871 20 0 CCADLP CC[N@@H+](CCC[C@@H](C)O)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157293841 801345967 /nfs/dbraw/zinc/34/59/67/801345967.db2.gz MALSJFWKWUSPOL-ZIAGYGMSSA-N 2 2 296.415 0.871 20 0 CCADLP Cc1cc(N(C(N)=[NH2+])C(=O)[C@@H]2C[C@H](C)CC[NH2+]2)n[nH]1 ZINC001157439560 801381953 /nfs/dbraw/zinc/38/19/53/801381953.db2.gz KDHMOATUBQMRDH-APPZFPTMSA-N 2 2 264.333 0.333 20 0 CCADLP C[C@H]1CCC[C@H](C)N1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001157451077 801387620 /nfs/dbraw/zinc/38/76/20/801387620.db2.gz KJRNWHWXKBAAFU-PJSNJIKXSA-N 2 2 251.374 0.726 20 0 CCADLP [NH3+]C[C@]1(F)CCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001157808391 801489653 /nfs/dbraw/zinc/48/96/53/801489653.db2.gz FUFYTGQVRWDTFX-CYBMUJFWSA-N 2 2 281.335 0.190 20 0 CCADLP [NH3+]C[C@]1(F)CCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001157808391 801489656 /nfs/dbraw/zinc/48/96/56/801489656.db2.gz FUFYTGQVRWDTFX-CYBMUJFWSA-N 2 2 281.335 0.190 20 0 CCADLP [NH3+]C1(C(=O)N2CC[C@@](CF)(C(F)(F)F)C2)CC[NH2+]CC1 ZINC001157889558 801510835 /nfs/dbraw/zinc/51/08/35/801510835.db2.gz LXLJGACUKZFRKG-JTQLQIEISA-N 2 2 297.296 0.818 20 0 CCADLP COC(=O)c1cc(C)nc(NC(=[NH2+])N2CC[NH+](C)CC2)c1 ZINC001157910556 801517630 /nfs/dbraw/zinc/51/76/30/801517630.db2.gz KKMPXSQGRXSLDY-UHFFFAOYSA-N 2 2 291.355 0.771 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(C3CC3)nn2)CC1 ZINC001157914929 801519221 /nfs/dbraw/zinc/51/92/21/801519221.db2.gz HUEASIMIECUPRZ-UHFFFAOYSA-N 2 2 260.345 0.948 20 0 CCADLP COC(=O)c1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)nc1C ZINC001157915454 801519945 /nfs/dbraw/zinc/51/99/45/801519945.db2.gz XWBPJSGSOYVRID-UHFFFAOYSA-N 2 2 291.355 0.771 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cnc2cc[nH]c2n1 ZINC001158203069 801591471 /nfs/dbraw/zinc/59/14/71/801591471.db2.gz DKQZXOREGDNRFZ-MRVPVSSYSA-N 2 2 258.285 0.006 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc(Cl)cn1 ZINC001158203392 801591824 /nfs/dbraw/zinc/59/18/24/801591824.db2.gz KRAWPVHSPFVUEK-SECBINFHSA-N 2 2 252.705 0.783 20 0 CCADLP CCCCc1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ncn1 ZINC001158209377 801595837 /nfs/dbraw/zinc/59/58/37/801595837.db2.gz SXOICECCEXNOAR-LLVKDONJSA-N 2 2 275.356 0.867 20 0 CCADLP [NH3+]C1CCN(c2cccc(N3CC[N@@H+]4CC[C@H]4C3)[nH+]2)CC1 ZINC001158435287 801649166 /nfs/dbraw/zinc/64/91/66/801649166.db2.gz XVNIEDBILNPDET-AWEZNQCLSA-N 3 2 287.411 0.903 20 0 CCADLP [NH3+]C1CCN(c2cccc(N3CC[N@H+]4CC[C@H]4C3)[nH+]2)CC1 ZINC001158435287 801649171 /nfs/dbraw/zinc/64/91/71/801649171.db2.gz XVNIEDBILNPDET-AWEZNQCLSA-N 3 2 287.411 0.903 20 0 CCADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(=O)[nH]n1 ZINC001276406029 801772468 /nfs/dbraw/zinc/77/24/68/801772468.db2.gz UMNTZLAKZLAKDY-KBPBESRZSA-N 2 2 291.399 0.392 20 0 CCADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(=O)[nH]n1 ZINC001276406029 801772474 /nfs/dbraw/zinc/77/24/74/801772474.db2.gz UMNTZLAKZLAKDY-KBPBESRZSA-N 2 2 291.399 0.392 20 0 CCADLP CC[C@]([NH3+])(CO)Nc1cc(N2CCCC2)[nH+]c(C)n1 ZINC001159739151 801856795 /nfs/dbraw/zinc/85/67/95/801856795.db2.gz BINQFRZMEIPUGB-CYBMUJFWSA-N 2 2 265.361 0.854 20 0 CCADLP CN(CCCc1ccccc1)C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001160449325 801943664 /nfs/dbraw/zinc/94/36/64/801943664.db2.gz YXBZOZDVIBPBTE-KGLIPLIRSA-N 2 2 261.369 0.767 20 0 CCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CC[C@@H](c2cccnc2)C1 ZINC001160525383 801961755 /nfs/dbraw/zinc/96/17/55/801961755.db2.gz ZBGWNOFIYVNDIP-CBBWQLFWSA-N 2 2 286.379 0.347 20 0 CCADLP [NH3+]C1(C(=O)N2CCc3nc(Cl)ncc3C2)CC[NH2+]CC1 ZINC001160575482 801972807 /nfs/dbraw/zinc/97/28/07/801972807.db2.gz ACPDHSISVCVCFH-UHFFFAOYSA-N 2 2 295.774 0.096 20 0 CCADLP COC(C)(C)[C@@H]1CCCN1C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160581222 801974667 /nfs/dbraw/zinc/97/46/67/801974667.db2.gz FIIHJVJMDGDVHS-SLEUVZQESA-N 2 2 281.400 0.354 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC001160706255 802007194 /nfs/dbraw/zinc/00/71/94/802007194.db2.gz ZNVJEEOFPIZNQT-IUCAKERBSA-N 2 2 292.261 0.069 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](NCC[NH+](C(C)C)C(C)C)C[NH2+]1 ZINC001246186488 807180502 /nfs/dbraw/zinc/18/05/02/807180502.db2.gz XVXNTJNFPUOYOJ-OLZOCXBDSA-N 2 2 271.405 0.598 20 0 CCADLP [NH3+][C@H](C(=O)N1CCc2[nH+]ccn2CC1)C1CCC(O)CC1 ZINC001160761118 802017635 /nfs/dbraw/zinc/01/76/35/802017635.db2.gz VVLSZCDHQWNZEZ-YIZWMMSDSA-N 2 2 292.383 0.146 20 0 CCADLP CN(C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161058311 802079077 /nfs/dbraw/zinc/07/90/77/802079077.db2.gz RGPIMHXRSPVOTA-RWMBFGLXSA-N 3 2 279.388 0.018 20 0 CCADLP COCCC[NH2+]CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001161215637 802109542 /nfs/dbraw/zinc/10/95/42/802109542.db2.gz XWOUZSCXVHCXJE-CYBMUJFWSA-N 2 2 294.399 0.578 20 0 CCADLP CCC[NH2+]CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001161310834 802124327 /nfs/dbraw/zinc/12/43/27/802124327.db2.gz ZQJKATHVAJNOAY-GFCCVEGCSA-N 2 2 264.373 0.951 20 0 CCADLP COCC[NH2+]CCCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001161325184 802126745 /nfs/dbraw/zinc/12/67/45/802126745.db2.gz ZTHPUJXXFSWCDA-LBPRGKRZSA-N 2 2 294.399 0.565 20 0 CCADLP COCC[NH2+]CCCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001161325184 802126749 /nfs/dbraw/zinc/12/67/49/802126749.db2.gz ZTHPUJXXFSWCDA-LBPRGKRZSA-N 2 2 294.399 0.565 20 0 CCADLP CC(C)C[C@@](C)([NH3+])C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161378835 802141771 /nfs/dbraw/zinc/14/17/71/802141771.db2.gz NIHLTAFXIVKXHE-GOEBONIOSA-N 3 2 296.459 0.774 20 0 CCADLP [NH3+]C[C@@H](O)CC(=O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001161470212 802160237 /nfs/dbraw/zinc/16/02/37/802160237.db2.gz CVZNCJVNFAIMHK-WDEREUQCSA-N 2 2 291.342 0.028 20 0 CCADLP CN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)[C@@H]1CCc2ccccc21 ZINC001161542640 802173399 /nfs/dbraw/zinc/17/33/99/802173399.db2.gz IJOOZKSSJKCSDM-KWCYVHTRSA-N 2 2 259.353 0.822 20 0 CCADLP CN(C)C(=O)CN1CC[NH+]([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254522390 808254349 /nfs/dbraw/zinc/25/43/49/808254349.db2.gz FNIFAXPDBOAHIE-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP CN(C)C(=O)CN1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254522390 808254353 /nfs/dbraw/zinc/25/43/53/808254353.db2.gz FNIFAXPDBOAHIE-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP Cc1cnc(C[NH2+]CCCNC(=O)Cn2c[nH+]cc2C)o1 ZINC001162627934 802380654 /nfs/dbraw/zinc/38/06/54/802380654.db2.gz NVXTUNIBJJXMSJ-UHFFFAOYSA-N 2 2 291.355 0.784 20 0 CCADLP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCO[C@H](C[NH3+])C1)C2 ZINC001255182259 808326945 /nfs/dbraw/zinc/32/69/45/808326945.db2.gz DOBZLQYOOMDTFU-XJFOESAGSA-N 2 2 297.399 0.798 20 0 CCADLP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCO[C@H](C[NH3+])C1)C2 ZINC001255182259 808326950 /nfs/dbraw/zinc/32/69/50/808326950.db2.gz DOBZLQYOOMDTFU-XJFOESAGSA-N 2 2 297.399 0.798 20 0 CCADLP [NH3+]CCC(=O)NCCc1c[nH+]cn1[C@H]1CCSC1 ZINC001255277220 808339931 /nfs/dbraw/zinc/33/99/31/808339931.db2.gz ONYIXKNLOVCHLL-NSHDSACASA-N 2 2 268.386 0.569 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000251142448 802442820 /nfs/dbraw/zinc/44/28/20/802442820.db2.gz WQHONQCGMVYNOE-FRRDWIJNSA-N 2 2 269.389 0.341 20 0 CCADLP CC[C@H](C[NH2+]CCCNC(=O)CCc1[nH+]ccn1C)OC ZINC001163044186 802467243 /nfs/dbraw/zinc/46/72/43/802467243.db2.gz NKEUUEWFJFCVJM-CYBMUJFWSA-N 2 2 296.415 0.874 20 0 CCADLP CC(=O)NCc1ccc(NC[C@]23C[NH2+]C[C@H]2COC3)[nH+]c1 ZINC001163153396 802496535 /nfs/dbraw/zinc/49/65/35/802496535.db2.gz MUHFDOMJNVQPAN-ZFWWWQNUSA-N 2 2 290.367 0.366 20 0 CCADLP Fc1c[nH]c2nc[nH+]c(NC[C@@]34C[NH2+][C@@H](CO3)C4)c12 ZINC001163191209 802504078 /nfs/dbraw/zinc/50/40/78/802504078.db2.gz ILJPSDCRVCNVKY-JMCQJSRRSA-N 2 2 263.276 0.640 20 0 CCADLP CCC[NH2+]CCCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001163283724 802527512 /nfs/dbraw/zinc/52/75/12/802527512.db2.gz SRAOZPAFHXBJRM-OAHLLOKOSA-N 2 2 297.443 0.993 20 0 CCADLP CCC[NH2+]CCCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001163283724 802527517 /nfs/dbraw/zinc/52/75/17/802527517.db2.gz SRAOZPAFHXBJRM-OAHLLOKOSA-N 2 2 297.443 0.993 20 0 CCADLP Cc1nnc(C[NH3+])n1-c1cc(N2CCCC2)[nH+]c(C)n1 ZINC001163345758 802539551 /nfs/dbraw/zinc/53/95/51/802539551.db2.gz DMAIZDULQLDMAV-UHFFFAOYSA-N 2 2 273.344 0.733 20 0 CCADLP C[C@@]1(CO)CCN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC001164147649 802675565 /nfs/dbraw/zinc/67/55/65/802675565.db2.gz WELWNGYPXFBPEH-OAHLLOKOSA-N 2 2 276.384 0.700 20 0 CCADLP C[NH+](C)C1(CNc2cc(C(N)=O)ncn2)CC[NH+](C)CC1 ZINC001164211955 802688525 /nfs/dbraw/zinc/68/85/25/802688525.db2.gz XBXJQLXIYCANDX-UHFFFAOYSA-N 2 2 292.387 0.013 20 0 CCADLP CN(c1cccc(-c2c[nH+]cn2C)c1)S(=O)(=O)CC[NH3+] ZINC001164296929 802711746 /nfs/dbraw/zinc/71/17/46/802711746.db2.gz DGBPJLNDZQTLJS-UHFFFAOYSA-N 2 2 294.380 0.812 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CC[NH2+]CCF ZINC001104836244 811738387 /nfs/dbraw/zinc/73/83/87/811738387.db2.gz CFZRCXRWWPQRHM-VXGBXAGGSA-N 2 2 282.363 0.996 20 0 CCADLP CO[C@@H](C)C[NH2+]CCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001166408264 802906257 /nfs/dbraw/zinc/90/62/57/802906257.db2.gz NGYACUXPOMMJQC-NWDGAFQWSA-N 2 2 294.399 0.960 20 0 CCADLP COC(=O)C1([NH3+])CCN(c2nc(NC3CC3)cc[nH+]2)CC1 ZINC001166795300 802961594 /nfs/dbraw/zinc/96/15/94/802961594.db2.gz SIVPAVCQCXBGPS-UHFFFAOYSA-N 2 2 291.355 0.522 20 0 CCADLP CN(C[C@@H]1CC[NH2+]C1)c1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001166958275 802993792 /nfs/dbraw/zinc/99/37/92/802993792.db2.gz YEHXTXJEHSUAMO-CYBMUJFWSA-N 3 2 275.400 0.537 20 0 CCADLP COC(=O)C1(Nc2c[nH+]c3c(c2)CCCN3)CC[NH2+]CC1 ZINC001166967698 803000022 /nfs/dbraw/zinc/00/00/22/803000022.db2.gz KFOCJTGCQXQMOG-UHFFFAOYSA-N 2 2 290.367 0.435 20 0 CCADLP C[NH+](C)CCN1CC2(CC[N@@H+]2Cc2cccc(=O)[nH]2)C1 ZINC001276463531 803083747 /nfs/dbraw/zinc/08/37/47/803083747.db2.gz RWTPDMVQIZRPAL-UHFFFAOYSA-N 2 2 276.384 0.609 20 0 CCADLP C[NH+](C)CCN1CC2(CC[N@H+]2Cc2cccc(=O)[nH]2)C1 ZINC001276463531 803083752 /nfs/dbraw/zinc/08/37/52/803083752.db2.gz RWTPDMVQIZRPAL-UHFFFAOYSA-N 2 2 276.384 0.609 20 0 CCADLP C[NH+](C)CCN1CCCC2(C[NH+](Cc3cn[nH]c3)C2)C1 ZINC001276463581 803084049 /nfs/dbraw/zinc/08/40/49/803084049.db2.gz UNJFFHKXPLFTLL-UHFFFAOYSA-N 2 2 277.416 0.869 20 0 CCADLP Cc1cnc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)cn1 ZINC001205671757 803153206 /nfs/dbraw/zinc/15/32/06/803153206.db2.gz DCNXLCUKSHITJJ-CYBMUJFWSA-N 2 2 250.346 0.461 20 0 CCADLP Cc1cnc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)cn1 ZINC001205671757 803153210 /nfs/dbraw/zinc/15/32/10/803153210.db2.gz DCNXLCUKSHITJJ-CYBMUJFWSA-N 2 2 250.346 0.461 20 0 CCADLP COc1cnc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)cn1 ZINC001205687856 803155820 /nfs/dbraw/zinc/15/58/20/803155820.db2.gz BETGPACPKVLRSP-ZDUSSCGKSA-N 2 2 266.345 0.161 20 0 CCADLP COc1cnc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)cn1 ZINC001205687856 803155822 /nfs/dbraw/zinc/15/58/22/803155822.db2.gz BETGPACPKVLRSP-ZDUSSCGKSA-N 2 2 266.345 0.161 20 0 CCADLP COC(=O)c1ccc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)[nH]1 ZINC001205688089 803155955 /nfs/dbraw/zinc/15/59/55/803155955.db2.gz FBPYSJIOTJZJQA-AWEZNQCLSA-N 2 2 281.356 0.477 20 0 CCADLP COC(=O)c1ccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)[nH]1 ZINC001205688089 803155957 /nfs/dbraw/zinc/15/59/57/803155957.db2.gz FBPYSJIOTJZJQA-AWEZNQCLSA-N 2 2 281.356 0.477 20 0 CCADLP COc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1N ZINC001205967760 803193633 /nfs/dbraw/zinc/19/36/33/803193633.db2.gz XEZZSFNBSDOXMF-GHMZBOCLSA-N 2 2 251.330 0.171 20 0 CCADLP COc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1N ZINC001205967760 803193636 /nfs/dbraw/zinc/19/36/36/803193636.db2.gz XEZZSFNBSDOXMF-GHMZBOCLSA-N 2 2 251.330 0.171 20 0 CCADLP COc1c(C)cccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205973431 803194152 /nfs/dbraw/zinc/19/41/52/803194152.db2.gz SHTNRXIEXMPLRB-CHWSQXEVSA-N 2 2 250.342 0.898 20 0 CCADLP COc1c(C)cccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205973431 803194155 /nfs/dbraw/zinc/19/41/55/803194155.db2.gz SHTNRXIEXMPLRB-CHWSQXEVSA-N 2 2 250.342 0.898 20 0 CCADLP Cc1c(CN2CC[C@@H](O)[C@H]([NH3+])C2)[nH+]c2ccccn12 ZINC001206086322 803203503 /nfs/dbraw/zinc/20/35/03/803203503.db2.gz CMSHXRMFWILJLZ-DGCLKSJQSA-N 2 2 260.341 0.537 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2cnc(-c3cccnc3)o2)C[C@@H]1O ZINC001206530914 803261343 /nfs/dbraw/zinc/26/13/43/803261343.db2.gz WJHLZGXMXAXKNN-AAEUAGOBSA-N 2 2 274.324 0.488 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2cnc(-c3cccnc3)o2)C[C@@H]1O ZINC001206530914 803261350 /nfs/dbraw/zinc/26/13/50/803261350.db2.gz WJHLZGXMXAXKNN-AAEUAGOBSA-N 2 2 274.324 0.488 20 0 CCADLP C[C@]1(C[NH3+])CCCC[N@H+](CC2=CS[C@@H](N)N2)C1 ZINC001206541977 803264281 /nfs/dbraw/zinc/26/42/81/803264281.db2.gz ONNACNHYSPOUGQ-NWDGAFQWSA-N 2 2 256.419 0.857 20 0 CCADLP C[C@]1(C[NH3+])CCCC[N@@H+](CC2=CS[C@@H](N)N2)C1 ZINC001206541977 803264287 /nfs/dbraw/zinc/26/42/87/803264287.db2.gz ONNACNHYSPOUGQ-NWDGAFQWSA-N 2 2 256.419 0.857 20 0 CCADLP [NH3+][C@H]1CN(Cc2cnc3n2CC[NH2+]C3)CCC1(F)F ZINC001206704671 803280382 /nfs/dbraw/zinc/28/03/82/803280382.db2.gz TVYKBFCBUWUMSU-JTQLQIEISA-N 2 2 271.315 0.155 20 0 CCADLP COCCOCN1C[C@H]2C[C@@H](C1)[N@H+]2C[C@H]1CCC[NH+](C)C1 ZINC001276496753 803289491 /nfs/dbraw/zinc/28/94/91/803289491.db2.gz LEJRNBAGWWHVJC-HRCADAONSA-N 2 2 297.443 0.707 20 0 CCADLP COCCOCN1C[C@H]2C[C@@H](C1)[N@@H+]2C[C@H]1CCC[NH+](C)C1 ZINC001276496753 803289494 /nfs/dbraw/zinc/28/94/94/803289494.db2.gz LEJRNBAGWWHVJC-HRCADAONSA-N 2 2 297.443 0.707 20 0 CCADLP COCCOCN1C[C@H]2C[C@@H](C1)[NH+]2C[C@H]1CCC[N@H+](C)C1 ZINC001276496753 803289499 /nfs/dbraw/zinc/28/94/99/803289499.db2.gz LEJRNBAGWWHVJC-HRCADAONSA-N 2 2 297.443 0.707 20 0 CCADLP COCCOCN1C[C@H]2C[C@@H](C1)[NH+]2C[C@H]1CCC[N@@H+](C)C1 ZINC001276496753 803289503 /nfs/dbraw/zinc/28/95/03/803289503.db2.gz LEJRNBAGWWHVJC-HRCADAONSA-N 2 2 297.443 0.707 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CCC[C@@H]([NH2+]CCCO)C1 ZINC001207925174 803467366 /nfs/dbraw/zinc/46/73/66/803467366.db2.gz WVVRWMGNKOSPCD-GFCCVEGCSA-N 2 2 280.372 0.305 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001208061668 803485142 /nfs/dbraw/zinc/48/51/42/803485142.db2.gz LIQYYWSTWAMEFM-JHJVBQTASA-N 2 2 294.399 0.170 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001208061668 803485147 /nfs/dbraw/zinc/48/51/47/803485147.db2.gz LIQYYWSTWAMEFM-JHJVBQTASA-N 2 2 294.399 0.170 20 0 CCADLP C[C@@H]1C[N@H+](Cc2ccon2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208491964 803517109 /nfs/dbraw/zinc/51/71/09/803517109.db2.gz BKSKYAZMWAEYIN-DGCLKSJQSA-N 2 2 280.372 0.563 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2ccon2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208491964 803517111 /nfs/dbraw/zinc/51/71/11/803517111.db2.gz BKSKYAZMWAEYIN-DGCLKSJQSA-N 2 2 280.372 0.563 20 0 CCADLP CC[N@@H+]1CCO[C@@H]2C[NH+](CCCC3OCCO3)C[C@@H]2C1 ZINC001209304958 803591661 /nfs/dbraw/zinc/59/16/61/803591661.db2.gz BNSXRZUKYOTPAV-UONOGXRCSA-N 2 2 284.400 0.792 20 0 CCADLP CC[N@H+]1CCO[C@@H]2C[NH+](CCCC3OCCO3)C[C@@H]2C1 ZINC001209304958 803591664 /nfs/dbraw/zinc/59/16/64/803591664.db2.gz BNSXRZUKYOTPAV-UONOGXRCSA-N 2 2 284.400 0.792 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@H+](CCCC3OCCO3)C[C@@H]2C1 ZINC001209304958 803591667 /nfs/dbraw/zinc/59/16/67/803591667.db2.gz BNSXRZUKYOTPAV-UONOGXRCSA-N 2 2 284.400 0.792 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@@H+](CCCC3OCCO3)C[C@@H]2C1 ZINC001209304958 803591670 /nfs/dbraw/zinc/59/16/70/803591670.db2.gz BNSXRZUKYOTPAV-UONOGXRCSA-N 2 2 284.400 0.792 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1C ZINC001209350830 803598579 /nfs/dbraw/zinc/59/85/79/803598579.db2.gz GQCLCGQHTUSWFW-NQBHXWOUSA-N 2 2 280.372 0.017 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001209350830 803598585 /nfs/dbraw/zinc/59/85/85/803598585.db2.gz GQCLCGQHTUSWFW-NQBHXWOUSA-N 2 2 280.372 0.017 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1C ZINC001209350830 803598590 /nfs/dbraw/zinc/59/85/90/803598590.db2.gz GQCLCGQHTUSWFW-NQBHXWOUSA-N 2 2 280.372 0.017 20 0 CCADLP Nc1cc[nH+]cc1C[N@@H+]1CC[C@H](Oc2ncccn2)C1 ZINC001209733134 803625534 /nfs/dbraw/zinc/62/55/34/803625534.db2.gz IKKAHBPJARFXFM-LBPRGKRZSA-N 2 2 271.324 0.937 20 0 CCADLP Nc1cc[nH+]cc1C[N@H+]1CC[C@H](Oc2ncccn2)C1 ZINC001209733134 803625537 /nfs/dbraw/zinc/62/55/37/803625537.db2.gz IKKAHBPJARFXFM-LBPRGKRZSA-N 2 2 271.324 0.937 20 0 CCADLP CCOC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3c[nH+]ccc3N)C[C@@H]21 ZINC001209736096 803626704 /nfs/dbraw/zinc/62/67/04/803626704.db2.gz CSTMKMJUVQJHNG-PJXYFTJBSA-N 2 2 261.325 0.735 20 0 CCADLP CCOC(=O)[C@H]1[C@@H]2C[N@H+](Cc3c[nH+]ccc3N)C[C@@H]21 ZINC001209736096 803626708 /nfs/dbraw/zinc/62/67/08/803626708.db2.gz CSTMKMJUVQJHNG-PJXYFTJBSA-N 2 2 261.325 0.735 20 0 CCADLP Nc1cc[nH+]cc1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC001209734479 803627301 /nfs/dbraw/zinc/62/73/01/803627301.db2.gz QUCNSOWWJFUSBJ-CYBMUJFWSA-N 2 2 262.357 0.401 20 0 CCADLP Nc1cc[nH+]cc1C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC001209734479 803627303 /nfs/dbraw/zinc/62/73/03/803627303.db2.gz QUCNSOWWJFUSBJ-CYBMUJFWSA-N 2 2 262.357 0.401 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001210666902 803656847 /nfs/dbraw/zinc/65/68/47/803656847.db2.gz AQZVURRMBYQMDH-STQMWFEESA-N 2 2 294.399 0.578 20 0 CCADLP COCC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001210667246 803656864 /nfs/dbraw/zinc/65/68/64/803656864.db2.gz DTUANNNTZXQSGD-GFCCVEGCSA-N 2 2 294.399 0.914 20 0 CCADLP c1cn(CCN2CC3(C2)C[NH+](CC2CC[NH2+]CC2)C3)c[nH+]1 ZINC001276714404 803758419 /nfs/dbraw/zinc/75/84/19/803758419.db2.gz VVFNGEUPBQZBMV-UHFFFAOYSA-N 3 2 289.427 0.500 20 0 CCADLP NC(=O)[C@@H]([NH3+])Cc1ccc(O[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC001218012515 803929465 /nfs/dbraw/zinc/92/94/65/803929465.db2.gz QOKLDPAZHHKCLG-RYUDHWBXSA-N 2 2 299.321 0.418 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1[nH]nc2cccnc21 ZINC001218523798 803984045 /nfs/dbraw/zinc/98/40/45/803984045.db2.gz TWFXFTBFDMTLKG-UHFFFAOYSA-N 2 2 274.328 0.238 20 0 CCADLP COc1ccnc(NC(=O)C2([NH3+])CC[NH2+]CC2)c1 ZINC001218528814 803990123 /nfs/dbraw/zinc/99/01/23/803990123.db2.gz TXDNTVKRXQFDTE-UHFFFAOYSA-N 2 2 250.302 0.110 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cc(Cl)nnc2Cl)C1 ZINC001218540760 803995565 /nfs/dbraw/zinc/99/55/65/803995565.db2.gz MABBYQVQVPQZAS-XINAWCOVSA-N 2 2 276.127 0.411 20 0 CCADLP Cc1ccc2c(n[nH]c2NC(=O)C[NH2+]C2CC[NH2+]CC2)n1 ZINC001218541427 803997166 /nfs/dbraw/zinc/99/71/66/803997166.db2.gz GBGHBCJHPWQPQF-UHFFFAOYSA-N 2 2 288.355 0.546 20 0 CCADLP COc1cc(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)no1 ZINC001218574567 804016321 /nfs/dbraw/zinc/01/63/21/804016321.db2.gz WGOIGJLUTKITAP-JTQLQIEISA-N 2 2 276.296 0.894 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)Nc2noc3nccnc23)cc1 ZINC001218573968 804017376 /nfs/dbraw/zinc/01/73/76/804017376.db2.gz CRAGJPUEIWMVQD-SNVBAGLBSA-N 2 2 298.306 0.829 20 0 CCADLP [NH3+][C@@H](C(=O)Nc1cc[nH+]c2c1CCC2)C1CC[NH2+]CC1 ZINC001218619714 804037372 /nfs/dbraw/zinc/03/73/72/804037372.db2.gz FEAFJDGLOMOGBP-CQSZACIVSA-N 3 2 274.368 0.258 20 0 CCADLP Cn1cc(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)nn1 ZINC001218629402 804046268 /nfs/dbraw/zinc/04/62/68/804046268.db2.gz WFEUWJBQVGFBMF-SNVBAGLBSA-N 2 2 260.301 0.026 20 0 CCADLP COC(=O)c1c(C)scc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218666945 804073126 /nfs/dbraw/zinc/07/31/26/804073126.db2.gz HWHIJLBVKALXMK-YUMQZZPRSA-N 2 2 283.353 0.328 20 0 CCADLP [NH3+]Cc1cncc(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)c1 ZINC001218705298 804089687 /nfs/dbraw/zinc/08/96/87/804089687.db2.gz NDEDOJBYULEEEN-AWEZNQCLSA-N 3 2 285.351 0.751 20 0 CCADLP O=C(Nc1cc([C@H]2CCC[NH2+]2)no1)C1(F)C[NH2+]C1 ZINC001218710307 804093098 /nfs/dbraw/zinc/09/30/98/804093098.db2.gz HKVLFIXEKYLPPA-SSDOTTSWSA-N 2 2 254.265 0.349 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc(-c2ccccc2O)no1 ZINC001218713727 804094535 /nfs/dbraw/zinc/09/45/35/804094535.db2.gz WGQKCMZCGKZTHG-UWVGGRQHSA-N 2 2 288.307 0.532 20 0 CCADLP COc1cnc(Cl)c(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)n1 ZINC001218720431 804096618 /nfs/dbraw/zinc/09/66/18/804096618.db2.gz JEBQNPQTZYDYIT-SSDOTTSWSA-N 2 2 296.718 0.370 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2nc(Cl)cc3nc[nH]c32)C1 ZINC001218745307 804106411 /nfs/dbraw/zinc/10/64/11/804106411.db2.gz IOIOCBZDWLRRMN-VDTYLAMSSA-N 2 2 280.719 0.239 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1ccc2n[nH]cc2c1 ZINC001218810876 804129560 /nfs/dbraw/zinc/12/95/60/804129560.db2.gz IPZVLOBUSVYBES-UHFFFAOYSA-N 2 2 273.340 0.843 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccc2n[nH]cc2c1 ZINC001218811680 804130479 /nfs/dbraw/zinc/13/04/79/804130479.db2.gz SODVUMUHJHWCPL-LBPRGKRZSA-N 2 2 284.323 0.805 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccccc1-n1cccn1 ZINC001218817777 804131552 /nfs/dbraw/zinc/13/15/52/804131552.db2.gz GJIDJLXKBRAFFN-JTQLQIEISA-N 2 2 259.313 0.487 20 0 CCADLP O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1C[NH2+]C[C@H]1O ZINC001218849257 804139188 /nfs/dbraw/zinc/13/91/88/804139188.db2.gz XSKQHAJLKSLZDS-ZIAGYGMSSA-N 2 2 286.335 0.450 20 0 CCADLP [NH3+]C1(C(=O)Nc2ccc(F)c(O)c2)CC[NH2+]CC1 ZINC001218877618 804144073 /nfs/dbraw/zinc/14/40/73/804144073.db2.gz MZIXBWLWAZDVSE-UHFFFAOYSA-N 2 2 253.277 0.551 20 0 CCADLP [NH3+]C1(C(=O)Nc2cccc3cnncc32)CC[NH2+]CC1 ZINC001218892183 804149154 /nfs/dbraw/zinc/14/91/54/804149154.db2.gz SGJWBIMNHRIOBG-UHFFFAOYSA-N 2 2 271.324 0.649 20 0 CCADLP Cn1cc2cccc(NC(=O)C3([NH3+])CC[NH2+]CC3)c2n1 ZINC001218889279 804149444 /nfs/dbraw/zinc/14/94/44/804149444.db2.gz PRDHGFUYFUVAMP-UHFFFAOYSA-N 2 2 273.340 0.593 20 0 CCADLP [NH3+]C1(C(=O)Nc2cccc3n[nH]cc32)CC[NH2+]CC1 ZINC001218895856 804151247 /nfs/dbraw/zinc/15/12/47/804151247.db2.gz JKKVCHHEEHELCT-UHFFFAOYSA-N 2 2 259.313 0.582 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc2c(c1)CC[NH2+]CC2 ZINC001218935545 804162537 /nfs/dbraw/zinc/16/25/37/804162537.db2.gz HAMVXNVYTHHTRL-OAHLLOKOSA-N 3 2 299.378 0.606 20 0 CCADLP NC(=O)c1ccc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc1Cl ZINC001218951571 804165593 /nfs/dbraw/zinc/16/55/93/804165593.db2.gz LBYUMMALFBIYBF-VIFPVBQESA-N 2 2 270.720 0.054 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccccc2-c2cc[nH]n2)C1 ZINC001219124493 804211238 /nfs/dbraw/zinc/21/12/38/804211238.db2.gz RKONUAYTBLEOIQ-RNCFNFMXSA-N 2 2 271.324 0.704 20 0 CCADLP COCCCN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])c1ccccc1N ZINC001219277973 804256266 /nfs/dbraw/zinc/25/62/66/804256266.db2.gz HBPHFHYFEGCIIK-AAEUAGOBSA-N 2 2 292.383 0.185 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccc3oc(=O)ccc3c2)C1 ZINC001219390996 804296186 /nfs/dbraw/zinc/29/61/86/804296186.db2.gz JAFMVGUEJXEPIV-KOLCDFICSA-N 2 2 273.292 0.421 20 0 CCADLP COC(=O)c1cc(C)c(C)c(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c1 ZINC001219402285 804299897 /nfs/dbraw/zinc/29/98/97/804299897.db2.gz GOELHSYMFVDSBM-YPMHNXCESA-N 2 2 291.351 0.718 20 0 CCADLP COc1c(O)cccc1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001219518259 804333850 /nfs/dbraw/zinc/33/38/50/804333850.db2.gz DECOKJLNGVFAMP-UHFFFAOYSA-N 2 2 265.313 0.420 20 0 CCADLP COc1c(O)cccc1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001219516544 804334620 /nfs/dbraw/zinc/33/46/20/804334620.db2.gz WWELSLYQWMFHHQ-UHFFFAOYSA-N 2 2 279.340 0.681 20 0 CCADLP O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2)[C@@H]1COCC[NH2+]1 ZINC001219537662 804341056 /nfs/dbraw/zinc/34/10/56/804341056.db2.gz OOFNSCCODVUJOB-CDMKHQONSA-N 2 2 289.335 0.061 20 0 CCADLP CCCC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219552785 804345517 /nfs/dbraw/zinc/34/55/17/804345517.db2.gz JNTMGZDZEKQFEF-NEPJUHHUSA-N 2 2 280.372 0.304 20 0 CCADLP CCCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219552785 804345526 /nfs/dbraw/zinc/34/55/26/804345526.db2.gz JNTMGZDZEKQFEF-NEPJUHHUSA-N 2 2 280.372 0.304 20 0 CCADLP CC[NH+](CC)CCNC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001219555668 804345801 /nfs/dbraw/zinc/34/58/01/804345801.db2.gz MBTWKLHRPCWVGT-AWEZNQCLSA-N 3 2 278.400 0.717 20 0 CCADLP [NH3+][C@H](Cc1cccc(O)c1)C(=O)NCCn1cc[nH+]c1 ZINC001219563655 804352729 /nfs/dbraw/zinc/35/27/29/804352729.db2.gz GCPYKBGAQMTXLF-CYBMUJFWSA-N 2 2 274.324 0.275 20 0 CCADLP O=C(N[C@@H]1CCCC[C@H]1F)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219671970 804400277 /nfs/dbraw/zinc/40/02/77/804400277.db2.gz YLAQYLULAKVYNT-UZWSLXQKSA-N 2 2 255.337 0.335 20 0 CCADLP C[C@@H]1C[C@@H](CNC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)C[NH2+]1 ZINC001219687251 804403410 /nfs/dbraw/zinc/40/34/10/804403410.db2.gz JKEJSUHHRNLJJU-JTNHKYCSSA-N 3 2 276.384 0.373 20 0 CCADLP C[C@@H](NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)c1cnc2ccccn21 ZINC001219700864 804407912 /nfs/dbraw/zinc/40/79/12/804407912.db2.gz GZFUOHQZSLSROY-BFQNTYOBSA-N 2 2 299.378 0.463 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001219703167 804409305 /nfs/dbraw/zinc/40/93/05/804409305.db2.gz CRJLREQNVXYDPL-OAHLLOKOSA-N 3 2 299.378 0.242 20 0 CCADLP [NH3+][C@H](C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)c1ccsc1 ZINC001219765257 804417663 /nfs/dbraw/zinc/41/76/63/804417663.db2.gz XVMCHGLCJJHKCV-WXHSDQCUSA-N 2 2 294.424 0.158 20 0 CCADLP [NH3+][C@H](C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1)c1ccsc1 ZINC001219765257 804417667 /nfs/dbraw/zinc/41/76/67/804417667.db2.gz XVMCHGLCJJHKCV-WXHSDQCUSA-N 2 2 294.424 0.158 20 0 CCADLP [NH3+][C@H](C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1)c1ccsc1 ZINC001219765257 804417674 /nfs/dbraw/zinc/41/76/74/804417674.db2.gz XVMCHGLCJJHKCV-WXHSDQCUSA-N 2 2 294.424 0.158 20 0 CCADLP O=C(NC1CC2(C1)CC[NH2+]CC2)c1n[nH]c2c1C[NH2+]C2 ZINC001219783039 804424125 /nfs/dbraw/zinc/42/41/25/804424125.db2.gz RSFQIEAJNXNJBH-UHFFFAOYSA-N 2 2 275.356 0.275 20 0 CCADLP O=C(NC1C2CC3CC(C2)CC1C3)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219989802 804466318 /nfs/dbraw/zinc/46/63/18/804466318.db2.gz QJOVKXUYYGYXLF-JVEJJJSFSA-N 2 2 289.423 0.879 20 0 CCADLP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)NC1C[NH+](C)C1 ZINC001220012710 804471590 /nfs/dbraw/zinc/47/15/90/804471590.db2.gz AIMJAYWFGCKSOC-NSHDSACASA-N 2 2 285.388 0.256 20 0 CCADLP COC(=O)[C@@H]([NH3+])CC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC001220062183 804490168 /nfs/dbraw/zinc/49/01/68/804490168.db2.gz PHLGFRICCPUTOX-RYUDHWBXSA-N 2 2 285.388 0.258 20 0 CCADLP COC(=O)[C@@H]([NH3+])CC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC001220062183 804490171 /nfs/dbraw/zinc/49/01/71/804490171.db2.gz PHLGFRICCPUTOX-RYUDHWBXSA-N 2 2 285.388 0.258 20 0 CCADLP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220062362 804491033 /nfs/dbraw/zinc/49/10/33/804491033.db2.gz VYZIYLVONJFJOI-YCPHGPKFSA-N 3 2 294.443 0.319 20 0 CCADLP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220062362 804491038 /nfs/dbraw/zinc/49/10/38/804491038.db2.gz VYZIYLVONJFJOI-YCPHGPKFSA-N 3 2 294.443 0.319 20 0 CCADLP CCOC(=O)C(C)(C)NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220064148 804492069 /nfs/dbraw/zinc/49/20/69/804492069.db2.gz SMXJINSNALFXOJ-LBPRGKRZSA-N 2 2 293.367 0.717 20 0 CCADLP CC(C)(C)OC[C@H]([NH3+])C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC001220189029 804531720 /nfs/dbraw/zinc/53/17/20/804531720.db2.gz JXQYWPNJZNOINN-UWVGGRQHSA-N 2 2 293.358 0.490 20 0 CCADLP Cc1ccc(CNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)c(F)c1F ZINC001220210137 804537655 /nfs/dbraw/zinc/53/76/55/804537655.db2.gz SDFVVLRWKSBEJN-IAQYHMDHSA-N 2 2 295.333 0.841 20 0 CCADLP O=C(N[C@@H]1CCCc2cccnc21)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220226479 804542629 /nfs/dbraw/zinc/54/26/29/804542629.db2.gz SYASKEUKPYSTAG-WOSRLPQWSA-N 2 2 286.379 0.527 20 0 CCADLP C[C@H](CCCC(C)(C)O)NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220243267 804546342 /nfs/dbraw/zinc/54/63/42/804546342.db2.gz QQGJPBDVKHWHPH-MROQNXINSA-N 2 2 283.416 0.382 20 0 CCADLP Cc1ccc([C@@H](C)NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)nc1 ZINC001220265971 804554600 /nfs/dbraw/zinc/55/46/00/804554600.db2.gz DZJMGRPTQCSWDU-YPMHNXCESA-N 2 2 287.367 0.871 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)[C@H]1CC[NH2+]C[C@H]1F ZINC001220274474 804558924 /nfs/dbraw/zinc/55/89/24/804558924.db2.gz DNPJRZGBIAUUMK-NWDGAFQWSA-N 2 2 284.335 0.093 20 0 CCADLP CC(C)(C)[C@H]([NH3+])CC(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001220291313 804563251 /nfs/dbraw/zinc/56/32/51/804563251.db2.gz QVDPISUTSAGGMV-GHMZBOCLSA-N 2 2 268.361 0.193 20 0 CCADLP CC(C)(C)[C@H]([NH3+])CC(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001220291313 804563258 /nfs/dbraw/zinc/56/32/58/804563258.db2.gz QVDPISUTSAGGMV-GHMZBOCLSA-N 2 2 268.361 0.193 20 0 CCADLP C[C@H]1C[C@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC(C)(C)C1 ZINC001220291778 804563860 /nfs/dbraw/zinc/56/38/60/804563860.db2.gz XJLNGASHUBKOCJ-BJDJZHNGSA-N 2 2 253.390 0.864 20 0 CCADLP [NH3+]C1(C(=O)NC[C@H](CO)Cc2ccccc2)CC[NH2+]CC1 ZINC001220405763 804597796 /nfs/dbraw/zinc/59/77/96/804597796.db2.gz CUMLTPZISZTTAX-CQSZACIVSA-N 2 2 291.395 0.035 20 0 CCADLP CC(C)C[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001220442044 804605901 /nfs/dbraw/zinc/60/59/01/804605901.db2.gz WIVMLYWVMYOAIQ-MCIONIFRSA-N 2 2 294.399 0.652 20 0 CCADLP CC(C)C[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001220442044 804605904 /nfs/dbraw/zinc/60/59/04/804605904.db2.gz WIVMLYWVMYOAIQ-MCIONIFRSA-N 2 2 294.399 0.652 20 0 CCADLP C[C@@](CO)(NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)c1ccccc1 ZINC001220711281 804653375 /nfs/dbraw/zinc/65/33/75/804653375.db2.gz NHDAVDRMUXHGBD-HIFRSBDPSA-N 2 2 288.351 0.303 20 0 CCADLP CC1(C)[C@H](O)C[C@@H]1NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220766136 804663558 /nfs/dbraw/zinc/66/35/58/804663558.db2.gz MGVIMQGAZNXDQC-FRRDWIJNSA-N 2 2 277.368 0.534 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220774978 804664203 /nfs/dbraw/zinc/66/42/03/804664203.db2.gz CLJLMIZGWUKDRV-BNOWGMLFSA-N 3 2 277.372 0.200 20 0 CCADLP Cc1noc2ccc(CNC(=O)C3([NH3+])CC[NH2+]CC3)cc12 ZINC001220846868 804680426 /nfs/dbraw/zinc/68/04/26/804680426.db2.gz JGMUMHIRLIHACF-UHFFFAOYSA-N 2 2 288.351 0.833 20 0 CCADLP O=C(NCCc1c[nH]c2cc[nH+]cc12)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220866384 804684172 /nfs/dbraw/zinc/68/41/72/804684172.db2.gz XHEMJVQJSCNESH-LRDDRELGSA-N 3 2 299.378 0.173 20 0 CCADLP COCc1ccc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)cc1 ZINC001220934803 804703341 /nfs/dbraw/zinc/70/33/41/804703341.db2.gz WUNYEOJFHMXFIG-GOEBONIOSA-N 2 2 289.379 0.401 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCC2(CC3CCC3)CC[NH2+]CC2)C1 ZINC001221130571 804733939 /nfs/dbraw/zinc/73/39/39/804733939.db2.gz YANLHPCEXOWIES-KGLIPLIRSA-N 3 2 294.443 0.352 20 0 CCADLP CCn1cc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)ccc1=O ZINC001221176598 804740674 /nfs/dbraw/zinc/74/06/74/804740674.db2.gz FWBDJNCNRRFLMA-LLVKDONJSA-N 2 2 275.312 0.100 20 0 CCADLP CC(=O)Nc1ccc([C@H](C)NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc1 ZINC001221338101 804781597 /nfs/dbraw/zinc/78/15/97/804781597.db2.gz XTTUEZHACKQJGY-HERUPUMHSA-N 2 2 290.367 0.369 20 0 CCADLP C[C@]1(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)CCCOC1 ZINC001221403462 804806032 /nfs/dbraw/zinc/80/60/32/804806032.db2.gz SUVQVUAQRCXHET-ZFWWWQNUSA-N 2 2 277.368 0.944 20 0 CCADLP COC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001221408921 804810812 /nfs/dbraw/zinc/81/08/12/804810812.db2.gz SFDRCWIUNOUKLI-SDDRHHMPSA-N 2 2 285.388 0.112 20 0 CCADLP COC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001221408921 804810819 /nfs/dbraw/zinc/81/08/19/804810819.db2.gz SFDRCWIUNOUKLI-SDDRHHMPSA-N 2 2 285.388 0.112 20 0 CCADLP Fc1cccc(CN2CC[NH2+]C3(CC[NH2+]CC3)C2)n1 ZINC001222095428 804867652 /nfs/dbraw/zinc/86/76/52/804867652.db2.gz SJBZUZRPIRNONL-UHFFFAOYSA-N 2 2 264.348 0.748 20 0 CCADLP COCCC[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222098099 804868593 /nfs/dbraw/zinc/86/85/93/804868593.db2.gz JVRFESRWDWBKJF-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP Cc1c[nH]c(=O)c(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c1 ZINC001222507135 804910404 /nfs/dbraw/zinc/91/04/04/804910404.db2.gz NMMMWJXBCQXFSB-KBPBESRZSA-N 2 2 276.384 0.621 20 0 CCADLP CC1(C)[NH2+][C@@H](CC[NH+]2CCC(F)(C[NH3+])CC2)CO1 ZINC001222527350 804911484 /nfs/dbraw/zinc/91/14/84/804911484.db2.gz LIRKIPBVMYPPBJ-NSHDSACASA-N 3 2 259.369 0.864 20 0 CCADLP c1cn(CC[N@@H+]2C[C@H]3C[C@@H](C2)N(c2cncnc2)C3)c[nH+]1 ZINC001276975317 805042294 /nfs/dbraw/zinc/04/22/94/805042294.db2.gz ZOTLQDJJWHVYKX-KGLIPLIRSA-N 2 2 284.367 0.884 20 0 CCADLP c1cn(CC[N@H+]2C[C@H]3C[C@@H](C2)N(c2cncnc2)C3)c[nH+]1 ZINC001276975317 805042303 /nfs/dbraw/zinc/04/23/03/805042303.db2.gz ZOTLQDJJWHVYKX-KGLIPLIRSA-N 2 2 284.367 0.884 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H](C[NH2+]CCF)C1 ZINC001277053641 805140454 /nfs/dbraw/zinc/14/04/54/805140454.db2.gz PHSDILDFDXWNAU-MGCOHNPYSA-N 2 2 254.309 0.406 20 0 CCADLP CO[C@H](C)C[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001225658756 805149175 /nfs/dbraw/zinc/14/91/75/805149175.db2.gz NEJISJCDPAEZHX-CYBMUJFWSA-N 2 2 294.399 0.746 20 0 CCADLP CC[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001277195900 805339555 /nfs/dbraw/zinc/33/95/55/805339555.db2.gz XLBMQXZBTNOOAN-SNVBAGLBSA-N 2 2 250.346 0.847 20 0 CCADLP CC[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001277195900 805339561 /nfs/dbraw/zinc/33/95/61/805339561.db2.gz XLBMQXZBTNOOAN-SNVBAGLBSA-N 2 2 250.346 0.847 20 0 CCADLP C[C@@H](O)C[NH+]1CCC(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001227715242 805383673 /nfs/dbraw/zinc/38/36/73/805383673.db2.gz SRFCDVMOJFVBDF-LLVKDONJSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H](O)C[NH+]1CCC(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001227715242 805383681 /nfs/dbraw/zinc/38/36/81/805383681.db2.gz SRFCDVMOJFVBDF-LLVKDONJSA-N 2 2 280.372 0.304 20 0 CCADLP Cn1c(C[N@H+]2[C@@H]3C[C@H]2CN(CC[NH+](C)C)C3)cccc1=O ZINC001277315202 805456461 /nfs/dbraw/zinc/45/64/61/805456461.db2.gz GSQMLTKJMFDFNB-GASCZTMLSA-N 2 2 290.411 0.205 20 0 CCADLP Cn1c(C[N@@H+]2[C@@H]3C[C@H]2CN(CC[NH+](C)C)C3)cccc1=O ZINC001277315202 805456466 /nfs/dbraw/zinc/45/64/66/805456466.db2.gz GSQMLTKJMFDFNB-GASCZTMLSA-N 2 2 290.411 0.205 20 0 CCADLP C[C@H](CCC[NH2+]CCF)NC(=O)Cc1c[nH+]cn1C ZINC001277335635 805483813 /nfs/dbraw/zinc/48/38/13/805483813.db2.gz SVYWHSBNIQSUHV-LLVKDONJSA-N 2 2 270.352 0.807 20 0 CCADLP C[C@@H](O)C[NH+]1CCC(NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001229385282 805528984 /nfs/dbraw/zinc/52/89/84/805528984.db2.gz QJCUEGYEWHTDMX-QWHCGFSZSA-N 2 2 294.399 0.796 20 0 CCADLP COc1cccc(OC[C@@H](O)C[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC001245982354 807105911 /nfs/dbraw/zinc/10/59/11/807105911.db2.gz RJVKEFWGUPVASV-STQMWFEESA-N 2 2 280.368 0.777 20 0 CCADLP COc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC001245984025 807106441 /nfs/dbraw/zinc/10/64/41/807106441.db2.gz WPLNKLZKPMOTMR-STQMWFEESA-N 2 2 280.368 0.777 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@H]1[NH2+]C[C@@H](O)CCOCc1ccccc1 ZINC001245995993 807110297 /nfs/dbraw/zinc/11/02/97/807110297.db2.gz PQUALOANYLPFQP-HRCADAONSA-N 2 2 294.395 0.124 20 0 CCADLP OCCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC001246011777 807114727 /nfs/dbraw/zinc/11/47/27/807114727.db2.gz UJYXTIXYTJGUIK-CABCVRRESA-N 2 2 294.395 0.303 20 0 CCADLP OCCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC001246014907 807116345 /nfs/dbraw/zinc/11/63/45/807116345.db2.gz UIPNEGCNVMDYSB-HNNXBMFYSA-N 2 2 294.395 0.256 20 0 CCADLP OCCc1ccc(OC[C@@H](O)C[N@H+]2CCC[NH2+]CC2)cc1 ZINC001246014907 807116351 /nfs/dbraw/zinc/11/63/51/807116351.db2.gz UIPNEGCNVMDYSB-HNNXBMFYSA-N 2 2 294.395 0.256 20 0 CCADLP O[C@@H](C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC001246027209 807124829 /nfs/dbraw/zinc/12/48/29/807124829.db2.gz PMAUCUUNYOKSDM-LSDHHAIUSA-N 2 2 279.359 0.496 20 0 CCADLP O[C@@H](C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC001246027209 807124833 /nfs/dbraw/zinc/12/48/33/807124833.db2.gz PMAUCUUNYOKSDM-LSDHHAIUSA-N 2 2 279.359 0.496 20 0 CCADLP O[C@@H](C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC001246028988 807125385 /nfs/dbraw/zinc/12/53/85/807125385.db2.gz VBGFHYQHDMAPOT-GJZGRUSLSA-N 2 2 261.369 0.357 20 0 CCADLP O[C@@H](C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC001246028988 807125392 /nfs/dbraw/zinc/12/53/92/807125392.db2.gz VBGFHYQHDMAPOT-GJZGRUSLSA-N 2 2 261.369 0.357 20 0 CCADLP C[C@H]([NH3+])C[N@H+](C)C[C@@H](O)COc1cccc(F)c1 ZINC001246055720 807135707 /nfs/dbraw/zinc/13/57/07/807135707.db2.gz DPEVFIVMRMGXLL-CMPLNLGQSA-N 2 2 256.321 0.844 20 0 CCADLP C[C@H]([NH3+])C[N@@H+](C)C[C@@H](O)COc1cccc(F)c1 ZINC001246055720 807135713 /nfs/dbraw/zinc/13/57/13/807135713.db2.gz DPEVFIVMRMGXLL-CMPLNLGQSA-N 2 2 256.321 0.844 20 0 CCADLP O[C@H](C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1)C(F)(F)F ZINC001246061001 807137117 /nfs/dbraw/zinc/13/71/17/807137117.db2.gz SJJLYIWKIDCKNB-KXUCPTDWSA-N 2 2 252.280 0.984 20 0 CCADLP O[C@H](C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1)C(F)(F)F ZINC001246061001 807137120 /nfs/dbraw/zinc/13/71/20/807137120.db2.gz SJJLYIWKIDCKNB-KXUCPTDWSA-N 2 2 252.280 0.984 20 0 CCADLP CC[C@H]([NH3+])C[N@H+](C)C[C@@H](O)COc1ccc(CCO)cc1 ZINC001246060387 807137954 /nfs/dbraw/zinc/13/79/54/807137954.db2.gz SSIMCMKHRUPZMK-LSDHHAIUSA-N 2 2 296.411 0.630 20 0 CCADLP CC[C@H]([NH3+])C[N@@H+](C)C[C@@H](O)COc1ccc(CCO)cc1 ZINC001246060387 807137957 /nfs/dbraw/zinc/13/79/57/807137957.db2.gz SSIMCMKHRUPZMK-LSDHHAIUSA-N 2 2 296.411 0.630 20 0 CCADLP OC[C@@H](O)C[NH+]1CCC2(CC1)[NH2+]CCc1ccccc12 ZINC001246065766 807138769 /nfs/dbraw/zinc/13/87/69/807138769.db2.gz QMWQHAGDTBZUIS-AWEZNQCLSA-N 2 2 276.380 0.477 20 0 CCADLP C[C@H]1CC[C@H](N[C@@H]2C[NH2+][C@H](C(=O)OC(C)(C)C)C2)C[NH2+]1 ZINC001246085681 807148343 /nfs/dbraw/zinc/14/83/43/807148343.db2.gz ROIUZQIRIOOLGE-CYDGBPFRSA-N 2 2 283.416 0.789 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N[C@H]2C[NH2+]Cc3ccsc32)C[NH2+]1 ZINC001246140992 807163723 /nfs/dbraw/zinc/16/37/23/807163723.db2.gz JBSIAKGRBIWDIL-VWYCJHECSA-N 2 2 281.381 0.386 20 0 CCADLP C1C[NH2+]C[C@H]([NH2+]C2CCN(C3CC[NH2+]CC3)CC2)C1 ZINC001246143182 807164705 /nfs/dbraw/zinc/16/47/05/807164705.db2.gz UONWXTCIYQARDB-CQSZACIVSA-N 3 2 266.433 0.544 20 0 CCADLP COC(=O)[C@@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C(C)(C)C ZINC001246162897 807172506 /nfs/dbraw/zinc/17/25/06/807172506.db2.gz HHAWXUMKCABZSW-WDEREUQCSA-N 2 2 269.389 0.258 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[NH2+]2)CN1 ZINC001246175900 807177032 /nfs/dbraw/zinc/17/70/32/807177032.db2.gz GWWSPFJQPXPKPJ-WOPDTQHZSA-N 2 2 255.362 0.012 20 0 CCADLP COc1cccc(C[C@H](CO)[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC001246273809 807204320 /nfs/dbraw/zinc/20/43/20/807204320.db2.gz WBZQPUCGFCYGBG-UONOGXRCSA-N 2 2 264.369 0.940 20 0 CCADLP CCC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)[C@@H](O)C(=O)NC1CC1 ZINC001246289869 807208538 /nfs/dbraw/zinc/20/85/38/807208538.db2.gz CFAGWJTXGOQDJQ-AHLTXXRQSA-N 2 2 283.416 0.525 20 0 CCADLP O=C1C[C@H]([NH2+]C2(c3ccc(F)cc3)CC[NH2+]CC2)CN1 ZINC001246337800 807226571 /nfs/dbraw/zinc/22/65/71/807226571.db2.gz VTYPWHIUWIFVRL-ZDUSSCGKSA-N 2 2 277.343 0.883 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)CN1 ZINC001246355856 807231645 /nfs/dbraw/zinc/23/16/45/807231645.db2.gz FGFFENZSBIVPRX-WOPDTQHZSA-N 2 2 255.362 0.012 20 0 CCADLP C1[NH2+]CC12C[C@H]([NH2+][C@@H]1CC[N@@H+](C3CCCC3)C1)CCN2 ZINC001246360043 807233018 /nfs/dbraw/zinc/23/30/18/807233018.db2.gz ICJQEECRHLUEST-ZIAGYGMSSA-N 3 2 278.444 0.687 20 0 CCADLP C1[NH2+]CC12C[C@H]([NH2+][C@@H]1CC[N@H+](C3CCCC3)C1)CCN2 ZINC001246360043 807233023 /nfs/dbraw/zinc/23/30/23/807233023.db2.gz ICJQEECRHLUEST-ZIAGYGMSSA-N 3 2 278.444 0.687 20 0 CCADLP COC(=O)[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@@H](C(=O)OC)C1 ZINC001246401121 807243997 /nfs/dbraw/zinc/24/39/97/807243997.db2.gz KIQXGVFJQBHZHJ-UTUOFQBUSA-N 2 2 286.372 0.588 20 0 CCADLP C[C@H]1CC[C@@H]([NH2+]C2(C)CCS(=O)(=O)CC2)C[NH2+]1 ZINC001246417706 807248504 /nfs/dbraw/zinc/24/85/04/807248504.db2.gz CFFWDHFNPAFEPJ-WDEREUQCSA-N 2 2 260.403 0.684 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH2+]CCOc2cc[nH+]cc2)CN1 ZINC001246502124 807267986 /nfs/dbraw/zinc/26/79/86/807267986.db2.gz DGQDHHLIGYAMPJ-AAEUAGOBSA-N 2 2 279.340 0.344 20 0 CCADLP CCOC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2CC[C@H](C)[NH2+]C2)cn1 ZINC001246515070 807270787 /nfs/dbraw/zinc/27/07/87/807270787.db2.gz CGZLIWBMRFBYLV-UHTWSYAYSA-N 2 2 280.372 0.629 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC[NH2+]CC2)C[C@H]1C(=O)OC ZINC001246524584 807273512 /nfs/dbraw/zinc/27/35/12/807273512.db2.gz MUJSVWAVNXSIEG-YNEHKIRRSA-N 2 2 298.383 0.413 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@H+]2CCC[NH2+]CC2)C[C@H]1C(=O)OC ZINC001246524584 807273516 /nfs/dbraw/zinc/27/35/16/807273516.db2.gz MUJSVWAVNXSIEG-YNEHKIRRSA-N 2 2 298.383 0.413 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC[NH2+]CC2)C[C@H]1C(=O)OC ZINC001246524582 807274259 /nfs/dbraw/zinc/27/42/59/807274259.db2.gz MUJSVWAVNXSIEG-JHJVBQTASA-N 2 2 298.383 0.413 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCC[NH2+]CC2)C[C@H]1C(=O)OC ZINC001246524582 807274263 /nfs/dbraw/zinc/27/42/63/807274263.db2.gz MUJSVWAVNXSIEG-JHJVBQTASA-N 2 2 298.383 0.413 20 0 CCADLP CC(=O)N1CC[C@H]([N@@H+]2CCCC[C@](F)(C[NH3+])C2)C1 ZINC001246580910 807301781 /nfs/dbraw/zinc/30/17/81/807301781.db2.gz OGXCFRLXZJBNJE-STQMWFEESA-N 2 2 257.353 0.760 20 0 CCADLP CC(=O)N1CC[C@H]([N@H+]2CCCC[C@](F)(C[NH3+])C2)C1 ZINC001246580910 807301787 /nfs/dbraw/zinc/30/17/87/807301787.db2.gz OGXCFRLXZJBNJE-STQMWFEESA-N 2 2 257.353 0.760 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+]([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C[C@@H]1O ZINC001246584496 807306449 /nfs/dbraw/zinc/30/64/49/807306449.db2.gz NFVMQQWIBVECOG-YVSFHVDLSA-N 3 2 289.423 0.601 20 0 CCADLP [NH3+]C[C@H]1C[N@H+]([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C[C@@H]1O ZINC001246584496 807306458 /nfs/dbraw/zinc/30/64/58/807306458.db2.gz NFVMQQWIBVECOG-YVSFHVDLSA-N 3 2 289.423 0.601 20 0 CCADLP COC(=O)[C@@H]1CCC[C@@H](N2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)C1 ZINC001246619728 807329053 /nfs/dbraw/zinc/32/90/53/807329053.db2.gz UFDOEZRSQGZZBT-KBXIAJHMSA-N 2 2 295.427 0.744 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([NH+]2CCC3(CC[NH2+]3)CC2)CN1 ZINC001246646446 807345280 /nfs/dbraw/zinc/34/52/80/807345280.db2.gz FCYPRBPXVLFPPN-NEPJUHHUSA-N 2 2 267.373 0.108 20 0 CCADLP C1C[NH2+]C[C@H]([NH+]2CCC(OC3CC[NH2+]CC3)CC2)C1 ZINC001246663745 807349514 /nfs/dbraw/zinc/34/95/14/807349514.db2.gz QECJHXNPPKSYIC-CYBMUJFWSA-N 3 2 267.417 0.971 20 0 CCADLP CNC(=O)[C@@H]1CCO[C@@H]2CC[N@@H+]([C@@H]3CCC[NH2+]C3)C[C@H]21 ZINC001246703598 807360545 /nfs/dbraw/zinc/36/05/45/807360545.db2.gz KGNJMENFUOSAHL-YIYPIFLZSA-N 2 2 281.400 0.211 20 0 CCADLP CNC(=O)[C@@H]1CCO[C@@H]2CC[N@H+]([C@@H]3CCC[NH2+]C3)C[C@H]21 ZINC001246703598 807360551 /nfs/dbraw/zinc/36/05/51/807360551.db2.gz KGNJMENFUOSAHL-YIYPIFLZSA-N 2 2 281.400 0.211 20 0 CCADLP CN(C)C(=O)[C@@H]1CC12CC[NH+]([C@H]1CCC[NH2+]C1)CC2 ZINC001246759567 807372910 /nfs/dbraw/zinc/37/29/10/807372910.db2.gz NGZGDWHZGPWUJZ-STQMWFEESA-N 2 2 265.401 0.929 20 0 CCADLP C[C@@H]1CC[C@@H](N2CC[NH+](C3CC[NH2+]CC3)CC2)C[NH2+]1 ZINC001246795581 807384236 /nfs/dbraw/zinc/38/42/36/807384236.db2.gz MXGNKDPRRZGDBJ-UKRRQHHQSA-N 3 2 266.433 0.497 20 0 CCADLP COC(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246802130 807387956 /nfs/dbraw/zinc/38/79/56/807387956.db2.gz IQGBNIPKUFITQK-FUNVUKJBSA-N 2 2 267.373 0.060 20 0 CCADLP CC1(C)C[N@@H+](C2CN([C@@H]3CCC[NH2+]C3)C2)CCO1 ZINC001246842769 807404010 /nfs/dbraw/zinc/40/40/10/807404010.db2.gz DIASBNUWTSDGKM-GFCCVEGCSA-N 2 2 253.390 0.533 20 0 CCADLP CC1(C)C[N@H+](C2CN([C@@H]3CCC[NH2+]C3)C2)CCO1 ZINC001246842769 807404012 /nfs/dbraw/zinc/40/40/12/807404012.db2.gz DIASBNUWTSDGKM-GFCCVEGCSA-N 2 2 253.390 0.533 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]2C[NH3+])C[C@H]1C(=O)OC ZINC001246912838 807425947 /nfs/dbraw/zinc/42/59/47/807425947.db2.gz HSZHVVWDHPXTCI-UMSGYPCISA-N 2 2 298.383 0.540 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]2C[NH3+])C[C@H]1C(=O)OC ZINC001246912838 807425950 /nfs/dbraw/zinc/42/59/50/807425950.db2.gz HSZHVVWDHPXTCI-UMSGYPCISA-N 2 2 298.383 0.540 20 0 CCADLP CC(C)(C)OC(=O)C[NH+]1CCC(N2C[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246923393 807428671 /nfs/dbraw/zinc/42/86/71/807428671.db2.gz YIZHZEBJHCBXMQ-TZMCWYRMSA-N 2 2 295.427 0.696 20 0 CCADLP CC(C)(C)OC(=O)CN1CCC([N@@H+]2C[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246923393 807428680 /nfs/dbraw/zinc/42/86/80/807428680.db2.gz YIZHZEBJHCBXMQ-TZMCWYRMSA-N 2 2 295.427 0.696 20 0 CCADLP CC(C)(C)OC(=O)CN1CCC([N@H+]2C[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246923393 807428685 /nfs/dbraw/zinc/42/86/85/807428685.db2.gz YIZHZEBJHCBXMQ-TZMCWYRMSA-N 2 2 295.427 0.696 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C[C@@H]1[NH3+] ZINC001246933225 807433267 /nfs/dbraw/zinc/43/32/67/807433267.db2.gz REJMHZMSMZNPAC-XQQFMLRXSA-N 3 2 281.400 0.341 20 0 CCADLP COC(=O)[C@@H]1C[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C[C@@H]1[NH3+] ZINC001246933225 807433269 /nfs/dbraw/zinc/43/32/69/807433269.db2.gz REJMHZMSMZNPAC-XQQFMLRXSA-N 3 2 281.400 0.341 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+]([C@H]2CCCC3(C2)OCCO3)C[C@@H]1[NH3+] ZINC001246933261 807433505 /nfs/dbraw/zinc/43/35/05/807433505.db2.gz RRCFRWLUDUKDMP-TUAOUCFPSA-N 2 2 284.356 0.104 20 0 CCADLP COC(=O)[C@@H]1C[N@H+]([C@H]2CCCC3(C2)OCCO3)C[C@@H]1[NH3+] ZINC001246933261 807433507 /nfs/dbraw/zinc/43/35/07/807433507.db2.gz RRCFRWLUDUKDMP-TUAOUCFPSA-N 2 2 284.356 0.104 20 0 CCADLP O=C(COC1CC[NH+]([C@H]2CCC[NH2+]C2)CC1)N1CCCC1 ZINC001246973459 807443554 /nfs/dbraw/zinc/44/35/54/807443554.db2.gz JAHQPRHVEDPGEY-AWEZNQCLSA-N 2 2 295.427 0.842 20 0 CCADLP C1[NH2+]CC12C[C@H]([N@@H+]1CC[C@H]3[NH2+]CCC[C@@H]3C1)CS2 ZINC001247016482 807454752 /nfs/dbraw/zinc/45/47/52/807454752.db2.gz WCTGJLVIOBCERX-FRRDWIJNSA-N 3 2 267.442 0.908 20 0 CCADLP C1[NH2+]CC12C[C@H]([N@H+]1CC[C@H]3[NH2+]CCC[C@@H]3C1)CS2 ZINC001247016482 807454755 /nfs/dbraw/zinc/45/47/55/807454755.db2.gz WCTGJLVIOBCERX-FRRDWIJNSA-N 3 2 267.442 0.908 20 0 CCADLP CC(=O)c1cc(-c2noc(C[C@@H]([NH3+])C[NH3+])n2)ccn1 ZINC001249127895 807544480 /nfs/dbraw/zinc/54/44/80/807544480.db2.gz COPPREVRPAYMCE-SECBINFHSA-N 2 2 261.285 0.163 20 0 CCADLP [NH3+]C[C@H]([NH3+])Cc1nc(-c2ccc(F)c(F)c2F)no1 ZINC001249129286 807544723 /nfs/dbraw/zinc/54/47/23/807544723.db2.gz KPQQQJSLXKOYOW-RXMQYKEDSA-N 2 2 272.230 0.982 20 0 CCADLP CN(C(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1C[NH+](CCCF)C1 ZINC001042756921 815134911 /nfs/dbraw/zinc/13/49/11/815134911.db2.gz WGJNCSBFUAPZSH-GXTWGEPZSA-N 2 2 299.390 0.352 20 0 CCADLP CN(C(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1)C1C[NH+](CCCF)C1 ZINC001042756921 815134915 /nfs/dbraw/zinc/13/49/15/815134915.db2.gz WGJNCSBFUAPZSH-GXTWGEPZSA-N 2 2 299.390 0.352 20 0 CCADLP Cc1[nH]c2ccc(NC[C@@H](O)C[NH+]3CCOCC3)cc2[nH+]1 ZINC001251028258 807647859 /nfs/dbraw/zinc/64/78/59/807647859.db2.gz ZTGVCVFWTAHJEM-CYBMUJFWSA-N 2 2 290.367 0.976 20 0 CCADLP COCC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC1(C)C ZINC001278660850 807808873 /nfs/dbraw/zinc/80/88/73/807808873.db2.gz AQGOXLLLPCPZSM-CYBMUJFWSA-N 2 2 294.399 0.746 20 0 CCADLP COC[C@@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001252815031 807965056 /nfs/dbraw/zinc/96/50/56/807965056.db2.gz LCGNJPPLHFYJEK-LZWOXQAQSA-N 2 2 291.395 0.453 20 0 CCADLP COC[C@@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001252815031 807965060 /nfs/dbraw/zinc/96/50/60/807965060.db2.gz LCGNJPPLHFYJEK-LZWOXQAQSA-N 2 2 291.395 0.453 20 0 CCADLP COC[C@@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001252815031 807965065 /nfs/dbraw/zinc/96/50/65/807965065.db2.gz LCGNJPPLHFYJEK-LZWOXQAQSA-N 2 2 291.395 0.453 20 0 CCADLP COC[C@@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001252815031 807965068 /nfs/dbraw/zinc/96/50/68/807965068.db2.gz LCGNJPPLHFYJEK-LZWOXQAQSA-N 2 2 291.395 0.453 20 0 CCADLP CC[NH+](CC)C[C@@H](O)CN1CCc2[nH+]c[nH]c2C1 ZINC001253180931 808019641 /nfs/dbraw/zinc/01/96/41/808019641.db2.gz MBAUNZYZJDBSOW-LLVKDONJSA-N 2 2 252.362 0.471 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001253193275 808026236 /nfs/dbraw/zinc/02/62/36/808026236.db2.gz FZYSQNSWLOZQOA-AWEZNQCLSA-N 3 2 269.433 0.717 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC001253192375 808027483 /nfs/dbraw/zinc/02/74/83/808027483.db2.gz PMEZVAKLOGALHO-UONOGXRCSA-N 2 2 281.404 0.618 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC001253192375 808027491 /nfs/dbraw/zinc/02/74/91/808027491.db2.gz PMEZVAKLOGALHO-UONOGXRCSA-N 2 2 281.404 0.618 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+]Cc1ccccc1CO ZINC001253208450 808030814 /nfs/dbraw/zinc/03/08/14/808030814.db2.gz QPZYUWWORXLREX-HNNXBMFYSA-N 2 2 266.385 0.971 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H](CC(C)C)C(=O)N(C)C ZINC001253212084 808034359 /nfs/dbraw/zinc/03/43/59/808034359.db2.gz DKUJSYPNHQXZIM-KGLIPLIRSA-N 2 2 287.448 0.782 20 0 CCADLP C[C@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)c1cncnc1 ZINC001253405408 808059357 /nfs/dbraw/zinc/05/93/57/808059357.db2.gz ZLGDPPGPEXYQSS-JQWIXIFHSA-N 2 2 252.362 0.876 20 0 CCADLP CCOC(C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)OCC ZINC001253406050 808059695 /nfs/dbraw/zinc/05/96/95/808059695.db2.gz XWGDJFOTFFARDQ-NSHDSACASA-N 2 2 262.394 0.724 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]Cc1cnn(CCF)c1 ZINC001253411173 808062531 /nfs/dbraw/zinc/06/25/31/808062531.db2.gz DSNADUYAYLWALC-LBPRGKRZSA-N 2 2 272.368 0.691 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C1CN(c2ccccn2)C1 ZINC001253410663 808063757 /nfs/dbraw/zinc/06/37/57/808063757.db2.gz PACKYGKCHYWLHP-ZDUSSCGKSA-N 2 2 278.400 0.609 20 0 CCADLP CC(C)[C@H](O)C[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001253784065 808138502 /nfs/dbraw/zinc/13/85/02/808138502.db2.gz CGNCQHREKQFRQQ-GXTWGEPZSA-N 2 2 256.390 0.846 20 0 CCADLP CC(C)[C@H](O)C[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001253784065 808138504 /nfs/dbraw/zinc/13/85/04/808138504.db2.gz CGNCQHREKQFRQQ-GXTWGEPZSA-N 2 2 256.390 0.846 20 0 CCADLP CCC[NH+]1C[C@@H]2C[NH+](C[C@@H](O)CC(=O)OCC)C[C@H]2C1 ZINC001253800037 808146593 /nfs/dbraw/zinc/14/65/93/808146593.db2.gz RZRMPMPRQDQZJB-MCIONIFRSA-N 2 2 284.400 0.574 20 0 CCADLP CC(=O)N1CCC([NH2+]C2(CO)CC[NH+](C)CC2)CC1 ZINC001254422074 808238834 /nfs/dbraw/zinc/23/88/34/808238834.db2.gz CLWZKHWHUHEGAX-UHFFFAOYSA-N 2 2 269.389 0.044 20 0 CCADLP C[N@@H+]1CCC[C@H]([NH2+]CC2CCS(=O)(=O)CC2)CC1 ZINC001254502894 808246337 /nfs/dbraw/zinc/24/63/37/808246337.db2.gz JVXCDDBPTTWDEH-ZDUSSCGKSA-N 2 2 274.430 0.885 20 0 CCADLP C[N@H+]1CCC[C@H]([NH2+]CC2CCS(=O)(=O)CC2)CC1 ZINC001254502894 808246344 /nfs/dbraw/zinc/24/63/44/808246344.db2.gz JVXCDDBPTTWDEH-ZDUSSCGKSA-N 2 2 274.430 0.885 20 0 CCADLP C[N@@H+]1CCC[C@@H]([NH2+]CC2CCS(=O)(=O)CC2)CC1 ZINC001254502890 808247021 /nfs/dbraw/zinc/24/70/21/808247021.db2.gz JVXCDDBPTTWDEH-CYBMUJFWSA-N 2 2 274.430 0.885 20 0 CCADLP C[N@H+]1CCC[C@@H]([NH2+]CC2CCS(=O)(=O)CC2)CC1 ZINC001254502890 808247023 /nfs/dbraw/zinc/24/70/23/808247023.db2.gz JVXCDDBPTTWDEH-CYBMUJFWSA-N 2 2 274.430 0.885 20 0 CCADLP C[NH+]1CCN(CC[NH2+][C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254832454 808282801 /nfs/dbraw/zinc/28/28/01/808282801.db2.gz FSGAHNXTZKATNH-OAHLLOKOSA-N 3 2 266.433 0.308 20 0 CCADLP CS(=O)(=O)N1CC[C@H]([NH2+][C@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254845542 808286504 /nfs/dbraw/zinc/28/65/04/808286504.db2.gz OKUFUZJVUMIEHQ-STQMWFEESA-N 2 2 287.429 0.094 20 0 CCADLP C[N@H+]1CC[C@@H](NC(=[NH2+])SCCSC(N)=[NH2+])C1 ZINC001255418579 808358682 /nfs/dbraw/zinc/35/86/82/808358682.db2.gz VXCOGNUQQQIUFO-SSDOTTSWSA-N 3 2 261.420 0.575 20 0 CCADLP C[N@@H+]1CC[C@@H](NC(=[NH2+])SCCSC(N)=[NH2+])C1 ZINC001255418579 808358674 /nfs/dbraw/zinc/35/86/74/808358674.db2.gz VXCOGNUQQQIUFO-SSDOTTSWSA-N 3 2 261.420 0.575 20 0 CCADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)N[C@H]1CCC[N@H+](C)C1 ZINC001255478178 808384467 /nfs/dbraw/zinc/38/44/67/808384467.db2.gz RZFZEGHUSZVVMD-KBPBESRZSA-N 2 2 294.399 0.578 20 0 CCADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)N[C@H]1CCC[N@@H+](C)C1 ZINC001255478178 808384477 /nfs/dbraw/zinc/38/44/77/808384477.db2.gz RZFZEGHUSZVVMD-KBPBESRZSA-N 2 2 294.399 0.578 20 0 CCADLP CC[N@@H+]1CCO[C@@H]2C[NH+]([C@H]3CCCN(C)C3)C[C@@H]2C1 ZINC001255484610 808386946 /nfs/dbraw/zinc/38/69/46/808386946.db2.gz ASOCAYWUIXEVIS-SOUVJXGZSA-N 2 2 267.417 0.733 20 0 CCADLP CC[N@H+]1CCO[C@@H]2C[NH+]([C@H]3CCCN(C)C3)C[C@@H]2C1 ZINC001255484610 808386954 /nfs/dbraw/zinc/38/69/54/808386954.db2.gz ASOCAYWUIXEVIS-SOUVJXGZSA-N 2 2 267.417 0.733 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@@H+]([C@H]3CCCN(C)C3)C[C@@H]2C1 ZINC001255484610 808386965 /nfs/dbraw/zinc/38/69/65/808386965.db2.gz ASOCAYWUIXEVIS-SOUVJXGZSA-N 2 2 267.417 0.733 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@H+]([C@H]3CCCN(C)C3)C[C@@H]2C1 ZINC001255484610 808386974 /nfs/dbraw/zinc/38/69/74/808386974.db2.gz ASOCAYWUIXEVIS-SOUVJXGZSA-N 2 2 267.417 0.733 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[NH2+]CCn1cc[nH+]c1 ZINC001256315927 808490038 /nfs/dbraw/zinc/49/00/38/808490038.db2.gz NJCBAORJPWOMSU-GFCCVEGCSA-N 2 2 266.345 0.110 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC001256320528 808491309 /nfs/dbraw/zinc/49/13/09/808491309.db2.gz PXSMLLRZBMCARG-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP CC(C)[NH+]1CCC([NH2+]CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC001257207722 808597418 /nfs/dbraw/zinc/59/74/18/808597418.db2.gz FDPZPLVHCQQDIZ-UHFFFAOYSA-N 3 2 296.459 0.613 20 0 CCADLP COCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001279031707 808627395 /nfs/dbraw/zinc/62/73/95/808627395.db2.gz RNKMUSPWPAIWLA-RYUDHWBXSA-N 2 2 280.372 0.425 20 0 CCADLP C[C@@H]([NH2+]CCCO)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001279047896 808637344 /nfs/dbraw/zinc/63/73/44/808637344.db2.gz YWOIKMRMMMRHTM-CHWSQXEVSA-N 2 2 280.372 0.092 20 0 CCADLP C[C@H]([NH2+]CCCO)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001279047899 808637361 /nfs/dbraw/zinc/63/73/61/808637361.db2.gz YWOIKMRMMMRHTM-STQMWFEESA-N 2 2 280.372 0.092 20 0 CCADLP COC(=O)CC[C@@H](C)NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001258356209 808675971 /nfs/dbraw/zinc/67/59/71/808675971.db2.gz RTAZLOAXMSGIDQ-SNVBAGLBSA-N 2 2 256.350 0.100 20 0 CCADLP C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C[NH2+]CCO ZINC001279102585 808687884 /nfs/dbraw/zinc/68/78/84/808687884.db2.gz HPSAZRAXCJOKIT-RYUDHWBXSA-N 2 2 280.372 0.019 20 0 CCADLP C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C[NH2+]CCO ZINC001279102585 808687893 /nfs/dbraw/zinc/68/78/93/808687893.db2.gz HPSAZRAXCJOKIT-RYUDHWBXSA-N 2 2 280.372 0.019 20 0 CCADLP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1noc(C(N)=O)n1 ZINC001258901020 808704412 /nfs/dbraw/zinc/70/44/12/808704412.db2.gz VTQZRCVRGBYQOD-JTQLQIEISA-N 2 2 283.376 0.769 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCCc1cn(C)c[nH+]1 ZINC001262095377 809189215 /nfs/dbraw/zinc/18/92/15/809189215.db2.gz SIWOSCVBFITPMW-NXEZZACHSA-N 2 2 251.334 0.094 20 0 CCADLP [NH3+][C@H](CC(F)F)C[NH+]1CCC2(CNC(=O)C2)CC1 ZINC001262162764 809212863 /nfs/dbraw/zinc/21/28/63/809212863.db2.gz XQDRTEGBPNGQHA-SECBINFHSA-N 2 2 261.316 0.571 20 0 CCADLP CN(C)C(=O)OCC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001262301222 809269853 /nfs/dbraw/zinc/26/98/53/809269853.db2.gz FRFMZBIJMNRSOE-KBPBESRZSA-N 2 2 269.389 0.958 20 0 CCADLP C[C@H]1C[NH+](CCCNC(=O)[C@@H]2CSC[NH2+]2)C[C@H](C)O1 ZINC001263093472 809440518 /nfs/dbraw/zinc/44/05/18/809440518.db2.gz BLXLWKHCNKVJDZ-SRVKXCTJSA-N 2 2 287.429 0.264 20 0 CCADLP CCCC[N@H+](C)CCNC(=O)C[C@H]([NH3+])C(F)F ZINC001263098843 809443070 /nfs/dbraw/zinc/44/30/70/809443070.db2.gz PXCNVQUAULNNAU-VIFPVBQESA-N 2 2 251.321 0.817 20 0 CCADLP CCCC[N@@H+](C)CCNC(=O)C[C@H]([NH3+])C(F)F ZINC001263098843 809443071 /nfs/dbraw/zinc/44/30/71/809443071.db2.gz PXCNVQUAULNNAU-VIFPVBQESA-N 2 2 251.321 0.817 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C)CC[NH2+]CC1 ZINC001263106978 809448056 /nfs/dbraw/zinc/44/80/56/809448056.db2.gz KDMRIBUGUPSOGS-SNVBAGLBSA-N 2 2 250.346 0.847 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C)CC[NH2+]CC1 ZINC001263106978 809448063 /nfs/dbraw/zinc/44/80/63/809448063.db2.gz KDMRIBUGUPSOGS-SNVBAGLBSA-N 2 2 250.346 0.847 20 0 CCADLP COC[C@H]([NH3+])C(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001263330376 809511345 /nfs/dbraw/zinc/51/13/45/809511345.db2.gz JIFPWAHWGUSVQW-NSHDSACASA-N 2 2 266.345 0.100 20 0 CCADLP O=C(NC1CC[NH+](C2CC[NH2+]CC2)CC1)C(F)(F)F ZINC000586048755 809523096 /nfs/dbraw/zinc/52/30/96/809523096.db2.gz LWBCOYJWEPVBQT-UHFFFAOYSA-N 2 2 279.306 0.881 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NC(C)(C)C[NH+](C)C ZINC001263839897 809584603 /nfs/dbraw/zinc/58/46/03/809584603.db2.gz PXWSHKXQLWLRHH-UHFFFAOYSA-N 2 2 252.362 0.809 20 0 CCADLP COCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001264378979 809646493 /nfs/dbraw/zinc/64/64/93/809646493.db2.gz WEWFOYQNPPBNAH-CYBMUJFWSA-N 2 2 294.399 0.830 20 0 CCADLP COCCC[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001264378979 809646496 /nfs/dbraw/zinc/64/64/96/809646496.db2.gz WEWFOYQNPPBNAH-CYBMUJFWSA-N 2 2 294.399 0.830 20 0 CCADLP COC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001076633440 815322772 /nfs/dbraw/zinc/32/27/72/815322772.db2.gz NTICMXBLFGTZHD-MELADBBJSA-N 2 2 292.383 0.451 20 0 CCADLP COC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001076633440 815322777 /nfs/dbraw/zinc/32/27/77/815322777.db2.gz NTICMXBLFGTZHD-MELADBBJSA-N 2 2 292.383 0.451 20 0 CCADLP CO[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001076633190 815323036 /nfs/dbraw/zinc/32/30/36/815323036.db2.gz BTTRUVMYUWZSJH-MELADBBJSA-N 2 2 292.383 0.451 20 0 CCADLP CO[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001076633190 815323041 /nfs/dbraw/zinc/32/30/41/815323041.db2.gz BTTRUVMYUWZSJH-MELADBBJSA-N 2 2 292.383 0.451 20 0 CCADLP CCOCC[NH2+][C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001265827535 809867838 /nfs/dbraw/zinc/86/78/38/809867838.db2.gz QSGDWHUDTYHDBL-YNEHKIRRSA-N 2 2 294.399 0.654 20 0 CCADLP NC(=O)[C@H]([NH3+])Cc1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001211591304 811084711 /nfs/dbraw/zinc/08/47/11/811084711.db2.gz RORKBKJRBQVFAS-LLVKDONJSA-N 2 2 298.306 0.277 20 0 CCADLP Cc1ccnc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001267354115 811201716 /nfs/dbraw/zinc/20/17/16/811201716.db2.gz ARWKBLNPZCPZKQ-ZDUSSCGKSA-N 2 2 291.399 0.427 20 0 CCADLP Cc1ccnc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001267354115 811201725 /nfs/dbraw/zinc/20/17/25/811201725.db2.gz ARWKBLNPZCPZKQ-ZDUSSCGKSA-N 2 2 291.399 0.427 20 0 CCADLP COCCC[NH+]1CC(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001267695049 811662161 /nfs/dbraw/zinc/66/21/61/811662161.db2.gz YBMXDYYQQMVMEC-LBPRGKRZSA-N 2 2 294.399 0.673 20 0 CCADLP COCCC[NH+]1CC(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001267695049 811662164 /nfs/dbraw/zinc/66/21/64/811662164.db2.gz YBMXDYYQQMVMEC-LBPRGKRZSA-N 2 2 294.399 0.673 20 0 CCADLP CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001267811791 811807040 /nfs/dbraw/zinc/80/70/40/811807040.db2.gz XHJMBHNBNZJDNC-RYUDHWBXSA-N 2 2 264.373 0.950 20 0 CCADLP CC1(C)[NH2+]C[C@@H](CN2CC[NH+](Cc3cccnc3)CC2)O1 ZINC001204655125 812081742 /nfs/dbraw/zinc/08/17/42/812081742.db2.gz VKYLZPKQKIZPNA-HNNXBMFYSA-N 2 2 290.411 0.924 20 0 CCADLP Cc1nc(N[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc[nH+]1 ZINC001058904728 812320396 /nfs/dbraw/zinc/32/03/96/812320396.db2.gz GZTWKAVRCWWABQ-OLZOCXBDSA-N 2 2 289.383 0.750 20 0 CCADLP Cc1nc(N[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)cc[nH+]1 ZINC001058904728 812320409 /nfs/dbraw/zinc/32/04/09/812320409.db2.gz GZTWKAVRCWWABQ-OLZOCXBDSA-N 2 2 289.383 0.750 20 0 CCADLP [NH2+]=CNc1ccc(OCC[NH+]2CCOCC2)nc1 ZINC001167871348 812345656 /nfs/dbraw/zinc/34/56/56/812345656.db2.gz MIEVSLZSYYIYAY-UHFFFAOYSA-N 2 2 250.302 0.812 20 0 CCADLP COCC[NH2+]CC1(CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001167900560 812476720 /nfs/dbraw/zinc/47/67/20/812476720.db2.gz LGOUHRHGMQWQIF-UHFFFAOYSA-N 2 2 294.399 0.783 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001268318686 812482327 /nfs/dbraw/zinc/48/23/27/812482327.db2.gz WDZODLRVOJLZQW-NSHDSACASA-N 2 2 269.389 0.306 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001268318686 812482332 /nfs/dbraw/zinc/48/23/32/812482332.db2.gz WDZODLRVOJLZQW-NSHDSACASA-N 2 2 269.389 0.306 20 0 CCADLP CCCCC[NH+]1CC(NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001268483803 812660673 /nfs/dbraw/zinc/66/06/73/812660673.db2.gz ASZIFKLKFYCTLF-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP CCCCC[NH+]1CC(NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001268483803 812660678 /nfs/dbraw/zinc/66/06/78/812660678.db2.gz ASZIFKLKFYCTLF-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@H](C[NH2+]CCF)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001268647428 812972723 /nfs/dbraw/zinc/97/27/23/812972723.db2.gz RPLHPERSVJBELZ-LLVKDONJSA-N 2 2 282.363 0.826 20 0 CCADLP CCOCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001268653449 812981877 /nfs/dbraw/zinc/98/18/77/812981877.db2.gz TYVZIKVBLWBBAZ-OLZOCXBDSA-N 2 2 294.399 0.576 20 0 CCADLP C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4[nH+]c(N)[nH]c4c3)[C@@H]2C1 ZINC001269146149 813238297 /nfs/dbraw/zinc/23/82/97/813238297.db2.gz NKWQZSDUYLZKHE-GXFFZTMASA-N 2 2 285.351 0.921 20 0 CCADLP C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4[nH+]c(N)[nH]c4c3)[C@@H]2C1 ZINC001269146149 813238300 /nfs/dbraw/zinc/23/83/00/813238300.db2.gz NKWQZSDUYLZKHE-GXFFZTMASA-N 2 2 285.351 0.921 20 0 CCADLP COc1cccc(C[C@@H]([NH3+])C(=O)N2CC3(CC[N@@H+]3C)C2)c1 ZINC001269336158 813331291 /nfs/dbraw/zinc/33/12/91/813331291.db2.gz CYIGSCJMGBJKHE-CQSZACIVSA-N 2 2 289.379 0.482 20 0 CCADLP COc1cccc(C[C@@H]([NH3+])C(=O)N2CC3(CC[N@H+]3C)C2)c1 ZINC001269336158 813331297 /nfs/dbraw/zinc/33/12/97/813331297.db2.gz CYIGSCJMGBJKHE-CQSZACIVSA-N 2 2 289.379 0.482 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@](C)(C[NH2+]CCO)C1CC1 ZINC001269637334 813456504 /nfs/dbraw/zinc/45/65/04/813456504.db2.gz CQECUOBTDYRWFS-ABAIWWIYSA-N 2 2 294.399 0.455 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@](C)(C[NH2+]CCO)C1CC1 ZINC001269637334 813456510 /nfs/dbraw/zinc/45/65/10/813456510.db2.gz CQECUOBTDYRWFS-ABAIWWIYSA-N 2 2 294.399 0.455 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@](C)(C[NH2+]CCO)C1CC1 ZINC001269637336 813456978 /nfs/dbraw/zinc/45/69/78/813456978.db2.gz CQECUOBTDYRWFS-NHYWBVRUSA-N 2 2 294.399 0.455 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@](C)(C[NH2+]CCO)C1CC1 ZINC001269637336 813456986 /nfs/dbraw/zinc/45/69/86/813456986.db2.gz CQECUOBTDYRWFS-NHYWBVRUSA-N 2 2 294.399 0.455 20 0 CCADLP C[C@H](O)C[NH2+]CC[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001269771022 813502725 /nfs/dbraw/zinc/50/27/25/813502725.db2.gz VPXDHOKQPOSMRA-STQMWFEESA-N 2 2 294.399 0.551 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@H+](Cc3ccc[nH]3)C[C@H]21 ZINC001269840558 813526799 /nfs/dbraw/zinc/52/67/99/813526799.db2.gz BVYWEZLBMLDLOS-DZGCQCFKSA-N 2 2 299.378 0.944 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](Cc3ccc[nH]3)C[C@H]21 ZINC001269840558 813526805 /nfs/dbraw/zinc/52/68/05/813526805.db2.gz BVYWEZLBMLDLOS-DZGCQCFKSA-N 2 2 299.378 0.944 20 0 CCADLP Cc1ncccc1C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126436773 813584085 /nfs/dbraw/zinc/58/40/85/813584085.db2.gz LHVFWNRVGUJPLG-UHFFFAOYSA-N 2 2 287.367 0.952 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]C[C@@H]1CCCOC1 ZINC001126436991 813584922 /nfs/dbraw/zinc/58/49/22/813584922.db2.gz QLXPJQCZYRQTFI-LBPRGKRZSA-N 2 2 280.372 0.475 20 0 CCADLP Cc1nocc1C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126437026 813585660 /nfs/dbraw/zinc/58/56/60/813585660.db2.gz SBWHPRMCFXOXMY-UHFFFAOYSA-N 2 2 277.328 0.545 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]Cc1ccns1 ZINC001126442302 813597194 /nfs/dbraw/zinc/59/71/94/813597194.db2.gz LTHIFFVOXPNPBV-UHFFFAOYSA-N 2 2 279.369 0.705 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]C[C@H]1C[C@@]12CCOC2 ZINC001126447274 813629378 /nfs/dbraw/zinc/62/93/78/813629378.db2.gz BTVFNZQYMBEREW-IUODEOHRSA-N 2 2 292.383 0.475 20 0 CCADLP C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](CO)n1cc[nH+]c1)C2 ZINC001270399758 813749597 /nfs/dbraw/zinc/74/95/97/813749597.db2.gz UMTOFRYTMXKJEO-DZGCQCFKSA-N 2 2 292.383 0.361 20 0 CCADLP C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](CO)n1cc[nH+]c1)C2 ZINC001270399758 813749601 /nfs/dbraw/zinc/74/96/01/813749601.db2.gz UMTOFRYTMXKJEO-DZGCQCFKSA-N 2 2 292.383 0.361 20 0 CCADLP C[N@@H+]1C[C@@H]2CCN(C(=O)C3CN(c4cccc[nH+]4)C3)[C@@H]2C1 ZINC001270466014 813773400 /nfs/dbraw/zinc/77/34/00/813773400.db2.gz SYRHJXXAIVXJKT-GXTWGEPZSA-N 2 2 286.379 0.680 20 0 CCADLP C[N@H+]1C[C@@H]2CCN(C(=O)C3CN(c4cccc[nH+]4)C3)[C@@H]2C1 ZINC001270466014 813773408 /nfs/dbraw/zinc/77/34/08/813773408.db2.gz SYRHJXXAIVXJKT-GXTWGEPZSA-N 2 2 286.379 0.680 20 0 CCADLP Cc1nc(N[C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc[nH+]1 ZINC001059231361 813975355 /nfs/dbraw/zinc/97/53/55/813975355.db2.gz LGZKLEHTCRHHNC-AVGNSLFASA-N 2 2 289.383 0.796 20 0 CCADLP Cc1nc(N[C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc[nH+]1 ZINC001059231361 813975360 /nfs/dbraw/zinc/97/53/60/813975360.db2.gz LGZKLEHTCRHHNC-AVGNSLFASA-N 2 2 289.383 0.796 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CCOC ZINC001087797180 814215876 /nfs/dbraw/zinc/21/58/76/814215876.db2.gz BKMOZIUDOOQGPH-UONOGXRCSA-N 2 2 294.399 0.578 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1CCOC ZINC001087797180 814215884 /nfs/dbraw/zinc/21/58/84/814215884.db2.gz BKMOZIUDOOQGPH-UONOGXRCSA-N 2 2 294.399 0.578 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CCCO ZINC001087847750 814235368 /nfs/dbraw/zinc/23/53/68/814235368.db2.gz PFLVYZYQQBXLAK-QWHCGFSZSA-N 2 2 280.372 0.235 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CCCO ZINC001087847750 814235373 /nfs/dbraw/zinc/23/53/73/814235373.db2.gz PFLVYZYQQBXLAK-QWHCGFSZSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCO)n1cc[nH+]c1 ZINC001029495341 814317310 /nfs/dbraw/zinc/31/73/10/814317310.db2.gz FPUMRSLCRYIASC-MCIONIFRSA-N 2 2 292.383 0.502 20 0 CCADLP C[C@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO)n1cc[nH+]c1 ZINC001029495341 814317318 /nfs/dbraw/zinc/31/73/18/814317318.db2.gz FPUMRSLCRYIASC-MCIONIFRSA-N 2 2 292.383 0.502 20 0 CCADLP CC/C=C/CC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001271263743 814357200 /nfs/dbraw/zinc/35/72/00/814357200.db2.gz ZTUPFESKYTVFDD-NNTXTVRGSA-N 2 2 295.427 0.600 20 0 CCADLP CC/C=C/CC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001271263743 814357206 /nfs/dbraw/zinc/35/72/06/814357206.db2.gz ZTUPFESKYTVFDD-NNTXTVRGSA-N 2 2 295.427 0.600 20 0 CCADLP CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC001088170715 814439495 /nfs/dbraw/zinc/43/94/95/814439495.db2.gz CNQXOFVKRSRTGL-OLZOCXBDSA-N 2 2 276.384 0.763 20 0 CCADLP CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC001088170715 814439500 /nfs/dbraw/zinc/43/95/00/814439500.db2.gz CNQXOFVKRSRTGL-OLZOCXBDSA-N 2 2 276.384 0.763 20 0 CCADLP COCC[NH2+][C@H](C)[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001271548744 814473249 /nfs/dbraw/zinc/47/32/49/814473249.db2.gz FTZWVMMQADKTHM-YPMHNXCESA-N 2 2 294.399 0.734 20 0 CCADLP COc1ccc2c(c1)C[C@@H]([N@H+](CC[NH3+])CCO)C2 ZINC001168231872 814917413 /nfs/dbraw/zinc/91/74/13/814917413.db2.gz RJGVXEPSCXUPSW-ZDUSSCGKSA-N 2 2 250.342 0.415 20 0 CCADLP COc1ccc2c(c1)C[C@@H]([N@@H+](CC[NH3+])CCO)C2 ZINC001168231872 814917415 /nfs/dbraw/zinc/91/74/15/814917415.db2.gz RJGVXEPSCXUPSW-ZDUSSCGKSA-N 2 2 250.342 0.415 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC1C[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC001030162817 815851275 /nfs/dbraw/zinc/85/12/75/815851275.db2.gz ZOTJHKIKMLJIEH-ZIAGYGMSSA-N 2 2 295.427 0.696 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NC1C[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC001030162817 815851287 /nfs/dbraw/zinc/85/12/87/815851287.db2.gz ZOTJHKIKMLJIEH-ZIAGYGMSSA-N 2 2 295.427 0.696 20 0 CCADLP O=C(NC1C[NH+](CCCO)C1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001030520690 816082977 /nfs/dbraw/zinc/08/29/77/816082977.db2.gz ZTAMHPISCUCOPC-ZIAGYGMSSA-N 2 2 281.400 0.186 20 0 CCADLP O=C(NC1C[NH+](CCCO)C1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001030520690 816082981 /nfs/dbraw/zinc/08/29/81/816082981.db2.gz ZTAMHPISCUCOPC-ZIAGYGMSSA-N 2 2 281.400 0.186 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001030606999 816142307 /nfs/dbraw/zinc/14/23/07/816142307.db2.gz ATTJXCSJVRPTSA-GFCCVEGCSA-N 2 2 281.400 0.450 20 0 CCADLP O=C(NC1C[NH+](CCCO)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001030737546 816257482 /nfs/dbraw/zinc/25/74/82/816257482.db2.gz BBCKJQQEWBPLGX-AWEZNQCLSA-N 2 2 281.400 0.044 20 0 CCADLP COCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001272344310 816345460 /nfs/dbraw/zinc/34/54/60/816345460.db2.gz SQKMERYSCNEMEI-QWHCGFSZSA-N 2 2 280.372 0.404 20 0 CCADLP CC[N@@H+]1CC[C@@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001272446618 816437899 /nfs/dbraw/zinc/43/78/99/816437899.db2.gz QVTFYSMMUDAQAT-CQSZACIVSA-N 2 2 262.357 0.864 20 0 CCADLP CC[N@H+]1CC[C@@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001272446618 816437906 /nfs/dbraw/zinc/43/79/06/816437906.db2.gz QVTFYSMMUDAQAT-CQSZACIVSA-N 2 2 262.357 0.864 20 0 CCADLP C[NH+](C)CCN1C[C@@]2(F)C[N@H+](CC3CC3)C[C@@]2(F)C1=O ZINC001272484821 816478789 /nfs/dbraw/zinc/47/87/89/816478789.db2.gz ZKOXIFRAHNNKHF-UONOGXRCSA-N 2 2 287.354 0.532 20 0 CCADLP C[NH+](C)CCN1C[C@@]2(F)C[N@@H+](CC3CC3)C[C@@]2(F)C1=O ZINC001272484821 816478791 /nfs/dbraw/zinc/47/87/91/816478791.db2.gz ZKOXIFRAHNNKHF-UONOGXRCSA-N 2 2 287.354 0.532 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1C[NH+](CCOC2CCC2)C1 ZINC001030963238 816509988 /nfs/dbraw/zinc/50/99/88/816509988.db2.gz LKYFSVRWXGVLGS-DOMZBBRYSA-N 2 2 295.427 0.554 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1C[NH+](CCOC2CCC2)C1 ZINC001030963238 816509992 /nfs/dbraw/zinc/50/99/92/816509992.db2.gz LKYFSVRWXGVLGS-DOMZBBRYSA-N 2 2 295.427 0.554 20 0 CCADLP CC(C)=CC[NH2+]C[C@@H](O)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001272529613 816553947 /nfs/dbraw/zinc/55/39/47/816553947.db2.gz MDCSSQJGXXHHNP-ZIAGYGMSSA-N 2 2 294.399 0.867 20 0 CCADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001031050431 816606454 /nfs/dbraw/zinc/60/64/54/816606454.db2.gz MEQNPQJOMYUCCI-GXTWGEPZSA-N 2 2 283.416 0.431 20 0 CCADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001031050431 816606458 /nfs/dbraw/zinc/60/64/58/816606458.db2.gz MEQNPQJOMYUCCI-GXTWGEPZSA-N 2 2 283.416 0.431 20 0 CCADLP CC(C)(C(=O)NCC[NH2+]Cc1cnon1)[NH+]1CCCCC1 ZINC001127321642 816738963 /nfs/dbraw/zinc/73/89/63/816738963.db2.gz BBURKSQCNZKNNF-UHFFFAOYSA-N 2 2 295.387 0.540 20 0 CCADLP COCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106704953 816858638 /nfs/dbraw/zinc/85/86/38/816858638.db2.gz KSKSVPRSFBBWDD-VXGBXAGGSA-N 2 2 280.372 0.283 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH+]2CC(NC(=O)C34CC[NH+](CC3)C4)C2)O1 ZINC001031265486 816915764 /nfs/dbraw/zinc/91/57/64/816915764.db2.gz GLYJKCHTWLQFKN-OCCSQVGLSA-N 2 2 293.411 0.450 20 0 CCADLP C[C@H](F)CC[NH+]1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001031389698 817022681 /nfs/dbraw/zinc/02/26/81/817022681.db2.gz WSHWMZZNSMLEPK-NSHDSACASA-N 2 2 257.353 0.631 20 0 CCADLP C[C@@H](O)C[NH+]1CC(NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001031437797 817054730 /nfs/dbraw/zinc/05/47/30/817054730.db2.gz MISCIVICYYONIA-GFCCVEGCSA-N 2 2 291.395 0.543 20 0 CCADLP O=C(NCC[NH2+]Cc1nncs1)[C@@H]1C[NH+]2CCC1CC2 ZINC001127481916 817154858 /nfs/dbraw/zinc/15/48/58/817154858.db2.gz YYKZEYVEIBWLHU-LLVKDONJSA-N 2 2 295.412 0.086 20 0 CCADLP C[NH+](C)CCn1ccc(C(=O)NCC2C[NH+](CCF)C2)n1 ZINC001031677671 817239471 /nfs/dbraw/zinc/23/94/71/817239471.db2.gz TZDIGRPEEJMBMM-UHFFFAOYSA-N 2 2 297.378 0.076 20 0 CCADLP COCC[NH+]1CC(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001031783602 817363860 /nfs/dbraw/zinc/36/38/60/817363860.db2.gz CMAXZOYOEOHSLW-ZDUSSCGKSA-N 2 2 292.383 0.140 20 0 CCADLP COCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001106923045 817446786 /nfs/dbraw/zinc/44/67/86/817446786.db2.gz ZIHYNAAYNUWERX-DGCLKSJQSA-N 2 2 294.399 0.591 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)s1 ZINC001124836950 817589849 /nfs/dbraw/zinc/58/98/49/817589849.db2.gz JEYKJOWGRVOJIA-JTQLQIEISA-N 2 2 283.401 0.147 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)s1 ZINC001124836950 817589852 /nfs/dbraw/zinc/58/98/52/817589852.db2.gz JEYKJOWGRVOJIA-JTQLQIEISA-N 2 2 283.401 0.147 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)s1 ZINC001124836953 817589960 /nfs/dbraw/zinc/58/99/60/817589960.db2.gz JEYKJOWGRVOJIA-SNVBAGLBSA-N 2 2 283.401 0.147 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)s1 ZINC001124836953 817589966 /nfs/dbraw/zinc/58/99/66/817589966.db2.gz JEYKJOWGRVOJIA-SNVBAGLBSA-N 2 2 283.401 0.147 20 0 CCADLP C[C@H]1C[N@H+](CCCO)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943767544 817636927 /nfs/dbraw/zinc/63/69/27/817636927.db2.gz XJMCGEDIQMYVMJ-RYUDHWBXSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@H]1C[N@@H+](CCCO)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943767544 817636934 /nfs/dbraw/zinc/63/69/34/817636934.db2.gz XJMCGEDIQMYVMJ-RYUDHWBXSA-N 2 2 280.372 0.161 20 0 CCADLP CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001032331378 817884361 /nfs/dbraw/zinc/88/43/61/817884361.db2.gz BDQGULROUBZGTG-MELADBBJSA-N 2 2 281.400 0.402 20 0 CCADLP CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001032331378 817884365 /nfs/dbraw/zinc/88/43/65/817884365.db2.gz BDQGULROUBZGTG-MELADBBJSA-N 2 2 281.400 0.402 20 0 CCADLP CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001032331378 817884368 /nfs/dbraw/zinc/88/43/68/817884368.db2.gz BDQGULROUBZGTG-MELADBBJSA-N 2 2 281.400 0.402 20 0 CCADLP CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001032331378 817884372 /nfs/dbraw/zinc/88/43/72/817884372.db2.gz BDQGULROUBZGTG-MELADBBJSA-N 2 2 281.400 0.402 20 0 CCADLP C[C@H](CC[NH2+]Cc1ccon1)NC(=O)CCn1cc[nH+]c1 ZINC001272943127 818085305 /nfs/dbraw/zinc/08/53/05/818085305.db2.gz GIGYCTDFACLFAH-GFCCVEGCSA-N 2 2 291.355 0.946 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(OC(F)F)nn2)CC1 ZINC001168735598 818538116 /nfs/dbraw/zinc/53/81/16/818538116.db2.gz CTKIHRPKLGAJRK-UHFFFAOYSA-N 2 2 286.286 0.672 20 0 CCADLP Cn1ccc2ncnc(NC(=[NH2+])N3CC[NH+](C)CC3)c21 ZINC001168736841 818551898 /nfs/dbraw/zinc/55/18/98/818551898.db2.gz RJRKJNDNOIUKCT-UHFFFAOYSA-N 2 2 273.344 0.562 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cncnc2C2CC2)CC1 ZINC001168737107 818558034 /nfs/dbraw/zinc/55/80/34/818558034.db2.gz OYNRYLVKNFKMGY-UHFFFAOYSA-N 2 2 260.345 0.948 20 0 CCADLP CC[N@@H+]1CCO[C@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001108077236 818569940 /nfs/dbraw/zinc/56/99/40/818569940.db2.gz YNSKJWVESJUUEC-CQSZACIVSA-N 2 2 280.372 0.419 20 0 CCADLP Cc1nccc(NC(=[NH2+])N2CC[NH+](C)CC2)c1F ZINC001168740681 818605953 /nfs/dbraw/zinc/60/59/53/818605953.db2.gz MXKPPAUHVWSKEV-UHFFFAOYSA-N 2 2 251.309 0.545 20 0 CCADLP CO[C@@H](C)C[NH2+]CC[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001273122933 818681160 /nfs/dbraw/zinc/68/11/60/818681160.db2.gz KBSGCYXUCTWIJD-NEPJUHHUSA-N 2 2 282.388 0.482 20 0 CCADLP C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CC[NH+](CCF)C1 ZINC001033422730 818771026 /nfs/dbraw/zinc/77/10/26/818771026.db2.gz IKIOUTRCYFAXQQ-STQMWFEESA-N 2 2 271.380 0.973 20 0 CCADLP C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CC[NH+](CCF)C1 ZINC001033422730 818771029 /nfs/dbraw/zinc/77/10/29/818771029.db2.gz IKIOUTRCYFAXQQ-STQMWFEESA-N 2 2 271.380 0.973 20 0 CCADLP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@H+](CCF)C1 ZINC001033422730 818771033 /nfs/dbraw/zinc/77/10/33/818771033.db2.gz IKIOUTRCYFAXQQ-STQMWFEESA-N 2 2 271.380 0.973 20 0 CCADLP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@@H+](CCF)C1 ZINC001033422730 818771036 /nfs/dbraw/zinc/77/10/36/818771036.db2.gz IKIOUTRCYFAXQQ-STQMWFEESA-N 2 2 271.380 0.973 20 0 CCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001033456754 818783163 /nfs/dbraw/zinc/78/31/63/818783163.db2.gz ZYILIVJBHUPNJP-JSGCOSHPSA-N 2 2 292.383 0.521 20 0 CCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001033456754 818783170 /nfs/dbraw/zinc/78/31/70/818783170.db2.gz ZYILIVJBHUPNJP-JSGCOSHPSA-N 2 2 292.383 0.521 20 0 CCADLP C[C@H](C(=O)N1CC[NH+](C)C[C@H]1CO)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000700614122 818821570 /nfs/dbraw/zinc/82/15/70/818821570.db2.gz JADAWMKICDLLID-RQJABVFESA-N 2 2 283.416 0.383 20 0 CCADLP C[C@H](C(=O)N1CC[NH+](C)C[C@H]1CO)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000700614122 818821574 /nfs/dbraw/zinc/82/15/74/818821574.db2.gz JADAWMKICDLLID-RQJABVFESA-N 2 2 283.416 0.383 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@H]1CO)[NH+]1[C@H](C)CC[C@@H]1C ZINC000700614122 818821581 /nfs/dbraw/zinc/82/15/81/818821581.db2.gz JADAWMKICDLLID-RQJABVFESA-N 2 2 283.416 0.383 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1CO)[NH+]1[C@H](C)CC[C@@H]1C ZINC000700614122 818821586 /nfs/dbraw/zinc/82/15/86/818821586.db2.gz JADAWMKICDLLID-RQJABVFESA-N 2 2 283.416 0.383 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1nonc1C ZINC001128773912 818985560 /nfs/dbraw/zinc/98/55/60/818985560.db2.gz IIJLFCLYABHEOU-ZDUSSCGKSA-N 2 2 295.387 0.458 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1nonc1C ZINC001128773912 818985567 /nfs/dbraw/zinc/98/55/67/818985567.db2.gz IIJLFCLYABHEOU-ZDUSSCGKSA-N 2 2 295.387 0.458 20 0 CCADLP C[C@H](O)CCC[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128967077 819235757 /nfs/dbraw/zinc/23/57/57/819235757.db2.gz AEUXAUCVHGJXLX-NSHDSACASA-N 2 2 268.361 0.209 20 0 CCADLP C[C@H](O)CCC[NH2+]CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001128967077 819235762 /nfs/dbraw/zinc/23/57/62/819235762.db2.gz AEUXAUCVHGJXLX-NSHDSACASA-N 2 2 268.361 0.209 20 0 CCADLP CO[C@H](C)C[N@@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547609 819241767 /nfs/dbraw/zinc/24/17/67/819241767.db2.gz VZSLHNNVBKZQDZ-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP CO[C@H](C)C[N@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547609 819241772 /nfs/dbraw/zinc/24/17/72/819241772.db2.gz VZSLHNNVBKZQDZ-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP C[N@@H+]1CCO[C@H](CNc2ccc3c(n2)C[NH2+]CC3)C1 ZINC001162683443 819391040 /nfs/dbraw/zinc/39/10/40/819391040.db2.gz TZDVNHFVFANULB-GFCCVEGCSA-N 2 2 262.357 0.470 20 0 CCADLP C[N@H+]1CCO[C@H](CNc2ccc3c(n2)C[NH2+]CC3)C1 ZINC001162683443 819391045 /nfs/dbraw/zinc/39/10/45/819391045.db2.gz TZDVNHFVFANULB-GFCCVEGCSA-N 2 2 262.357 0.470 20 0 CCADLP CC[NH+]1CC2(C1)CCN(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC001035825569 819630585 /nfs/dbraw/zinc/63/05/85/819630585.db2.gz MYTAKNDSQRUCCK-UHFFFAOYSA-N 2 2 262.357 0.897 20 0 CCADLP C[C@H]1CC[N@H+](CCCCS(C)(=O)=O)C[C@@H]1C[NH3+] ZINC000706604659 819654864 /nfs/dbraw/zinc/65/48/64/819654864.db2.gz PBSCSFDRKNQODP-RYUDHWBXSA-N 2 2 262.419 0.728 20 0 CCADLP C[C@H]1CC[N@@H+](CCCCS(C)(=O)=O)C[C@@H]1C[NH3+] ZINC000706604659 819654870 /nfs/dbraw/zinc/65/48/70/819654870.db2.gz PBSCSFDRKNQODP-RYUDHWBXSA-N 2 2 262.419 0.728 20 0 CCADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1[NH2+]CCF ZINC001036209503 819705954 /nfs/dbraw/zinc/70/59/54/819705954.db2.gz YHGGSPKFQGTVJD-CMPLNLGQSA-N 2 2 268.336 0.748 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1[NH2+]CCF ZINC001036264384 819717262 /nfs/dbraw/zinc/71/72/62/819717262.db2.gz SSYXOPYLKPXNIS-YPMHNXCESA-N 2 2 282.363 0.759 20 0 CCADLP Cc1[nH]c(CNC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)[nH+]c1C ZINC000709056478 819784743 /nfs/dbraw/zinc/78/47/43/819784743.db2.gz JJENWGKFLQEXFL-QWHCGFSZSA-N 2 2 264.373 0.979 20 0 CCADLP Cc1[nH]c(CNC[C@@H]2C[N@H+]3CCC[C@H]3CO2)[nH+]c1C ZINC000709056478 819784749 /nfs/dbraw/zinc/78/47/49/819784749.db2.gz JJENWGKFLQEXFL-QWHCGFSZSA-N 2 2 264.373 0.979 20 0 CCADLP CCOC(=O)C[C@@H](O)C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000709812613 819810790 /nfs/dbraw/zinc/81/07/90/819810790.db2.gz YVJMXSMRAVBDQD-GFCCVEGCSA-N 2 2 272.389 0.717 20 0 CCADLP Cc1nc(N2CCC(O)(C[NH+](C)C)CC2)cc[nH+]1 ZINC000710613893 819858810 /nfs/dbraw/zinc/85/88/10/819858810.db2.gz KQHZWNYQFNTNFS-UHFFFAOYSA-N 2 2 250.346 0.678 20 0 CCADLP CC1(C)C[NH2+]C[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000711285185 819996496 /nfs/dbraw/zinc/99/64/96/819996496.db2.gz VYGJUZULKJVQNN-NSHDSACASA-N 2 2 250.346 0.635 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711565406 820054314 /nfs/dbraw/zinc/05/43/14/820054314.db2.gz FXJWXEQAXPJGEM-XQQFMLRXSA-N 2 2 274.430 0.220 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711565406 820054324 /nfs/dbraw/zinc/05/43/24/820054324.db2.gz FXJWXEQAXPJGEM-XQQFMLRXSA-N 2 2 274.430 0.220 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711565406 820054327 /nfs/dbraw/zinc/05/43/27/820054327.db2.gz FXJWXEQAXPJGEM-XQQFMLRXSA-N 2 2 274.430 0.220 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711565406 820054337 /nfs/dbraw/zinc/05/43/37/820054337.db2.gz FXJWXEQAXPJGEM-XQQFMLRXSA-N 2 2 274.430 0.220 20 0 CCADLP COC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001080852433 820645299 /nfs/dbraw/zinc/64/52/99/820645299.db2.gz CZCPIKYQFLBTFT-UHIISALHSA-N 2 2 294.399 0.732 20 0 CCADLP COC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001080852433 820645304 /nfs/dbraw/zinc/64/53/04/820645304.db2.gz CZCPIKYQFLBTFT-UHIISALHSA-N 2 2 294.399 0.732 20 0 CCADLP CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001081038150 820671797 /nfs/dbraw/zinc/67/17/97/820671797.db2.gz PRZPEACKMRANPG-VXGBXAGGSA-N 2 2 250.346 0.730 20 0 CCADLP CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001081038150 820671802 /nfs/dbraw/zinc/67/18/02/820671802.db2.gz PRZPEACKMRANPG-VXGBXAGGSA-N 2 2 250.346 0.730 20 0 CCADLP C[C@@H](C(=O)N(CC[NH3+])CC(F)(F)F)n1cc[nH+]c1 ZINC001119305021 821098348 /nfs/dbraw/zinc/09/83/48/821098348.db2.gz YZFGVFHIBDSQAT-QMMMGPOBSA-N 2 2 264.251 0.794 20 0 CCADLP C[N@@H+]1CCO[C@]2(CCCN(C(=O)C[NH+]3CCC3)C2)C1 ZINC001273363252 821958148 /nfs/dbraw/zinc/95/81/48/821958148.db2.gz LGFTYFHSKDDZCQ-CQSZACIVSA-N 2 2 267.373 0.015 20 0 CCADLP C[N@H+]1CCO[C@]2(CCCN(C(=O)C[NH+]3CCC3)C2)C1 ZINC001273363252 821958152 /nfs/dbraw/zinc/95/81/52/821958152.db2.gz LGFTYFHSKDDZCQ-CQSZACIVSA-N 2 2 267.373 0.015 20 0 CCADLP NC(=O)c1cccc(-n2c[nH+]cc2C2CC[NH2+]CC2)n1 ZINC001155057587 821988516 /nfs/dbraw/zinc/98/85/16/821988516.db2.gz KSMHTFJOFVPLOA-UHFFFAOYSA-N 2 2 271.324 0.833 20 0 CCADLP COC[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129892912 837581054 /nfs/dbraw/zinc/58/10/54/837581054.db2.gz DZLUQYCITJXRHN-HBNTYKKESA-N 2 2 266.345 0.254 20 0 CCADLP COC[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129892912 837581059 /nfs/dbraw/zinc/58/10/59/837581059.db2.gz DZLUQYCITJXRHN-HBNTYKKESA-N 2 2 266.345 0.254 20 0 CCADLP COC[C@@H]1CCCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001157922607 837705003 /nfs/dbraw/zinc/70/50/03/837705003.db2.gz SKUHFLUEQGVWMH-AAEUAGOBSA-N 2 2 280.372 0.317 20 0 CCADLP CC[C@H](C(=O)NCC[NH2+]Cc1csnn1)[NH+](C)C ZINC001130197748 837721469 /nfs/dbraw/zinc/72/14/69/837721469.db2.gz OLORFGRGEPESGJ-SNVBAGLBSA-N 2 2 271.390 0.084 20 0 CCADLP CC[C@H](C(=O)NCC[NH2+]Cc1nccc(C)n1)[NH+](C)C ZINC001130197532 837722521 /nfs/dbraw/zinc/72/25/21/837722521.db2.gz KQWSLHRRFQXDLW-GFCCVEGCSA-N 2 2 279.388 0.331 20 0 CCADLP C[C@@H](O)C[NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001130265868 837746286 /nfs/dbraw/zinc/74/62/86/837746286.db2.gz BWIGGTNHVHCFNU-SECBINFHSA-N 2 2 262.313 0.263 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1nncs1 ZINC001130300735 837759305 /nfs/dbraw/zinc/75/93/05/837759305.db2.gz VOLCIGHTRZHNGN-JTQLQIEISA-N 2 2 283.401 0.228 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1nncs1 ZINC001130300735 837759311 /nfs/dbraw/zinc/75/93/11/837759311.db2.gz VOLCIGHTRZHNGN-JTQLQIEISA-N 2 2 283.401 0.228 20 0 CCADLP O=C(NCC[NH2+]C[C@H]1CCOC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130406927 837787386 /nfs/dbraw/zinc/78/73/86/837787386.db2.gz HWTGHPAZUDLZFG-CHWSQXEVSA-N 2 2 292.383 0.188 20 0 CCADLP CC(C)OCC[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130484171 837807877 /nfs/dbraw/zinc/80/78/77/837807877.db2.gz GQRAZAVOSLJEHB-CYBMUJFWSA-N 2 2 294.399 0.576 20 0 CCADLP C[C@H]1C[C@@H]([NH2+][C@@H]2COC[C@H]2[NH3+])CN1C(=O)OC(C)(C)C ZINC001168813598 836011289 /nfs/dbraw/zinc/01/12/89/836011289.db2.gz VDUXCNCGTAXVAJ-IRCOFANPSA-N 2 2 285.388 0.700 20 0 CCADLP N=c1cc(C[NH3+])ccn1C(=O)CCc1ccc(N)[nH+]c1 ZINC001183936526 844115293 /nfs/dbraw/zinc/11/52/93/844115293.db2.gz URQOLJVRUPRUTM-UHFFFAOYSA-N 2 2 271.324 0.676 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncnc2sncc21 ZINC001169070864 836123961 /nfs/dbraw/zinc/12/39/61/836123961.db2.gz DWAMVVFTDXXADQ-SSDOTTSWSA-N 2 2 276.325 0.134 20 0 CCADLP CCc1cc(C)nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169072183 836125555 /nfs/dbraw/zinc/12/55/55/836125555.db2.gz KGJKMHHMBUNTKG-SNVBAGLBSA-N 2 2 261.329 0.395 20 0 CCADLP CC(C)(C)c1ncncc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169075576 836129199 /nfs/dbraw/zinc/12/91/99/836129199.db2.gz TYBPVBIRJRZGRR-SNVBAGLBSA-N 2 2 275.356 0.822 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1COCCC13OCCO3)C2 ZINC001169099076 836130124 /nfs/dbraw/zinc/13/01/24/836130124.db2.gz MVMWYFGYPJKXQS-FQUUOJAGSA-N 2 2 282.384 0.733 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1COCCC13OCCO3)C2 ZINC001169099076 836130132 /nfs/dbraw/zinc/13/01/32/836130132.db2.gz MVMWYFGYPJKXQS-FQUUOJAGSA-N 2 2 282.384 0.733 20 0 CCADLP COc1cc(SC)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cn1 ZINC001169076107 836130838 /nfs/dbraw/zinc/13/08/38/836130838.db2.gz NEVFUAKPVZYNEP-SECBINFHSA-N 2 2 294.380 0.860 20 0 CCADLP COC(=O)[C@H]([NH3+])Cc1cn([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC001169122815 836140161 /nfs/dbraw/zinc/14/01/61/836140161.db2.gz FDAGZBVTZLZMPU-ZOBORPQBSA-N 2 2 292.383 0.724 20 0 CCADLP COC(=O)[C@H]([NH3+])Cc1cn([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC001169122815 836140165 /nfs/dbraw/zinc/14/01/65/836140165.db2.gz FDAGZBVTZLZMPU-ZOBORPQBSA-N 2 2 292.383 0.724 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]CC[C@@H]1CCCO1 ZINC001169204089 836158547 /nfs/dbraw/zinc/15/85/47/836158547.db2.gz HIKDZLPVBXKYEH-LBPRGKRZSA-N 2 2 280.372 0.617 20 0 CCADLP C[C@@H](F)CC[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169203715 836158879 /nfs/dbraw/zinc/15/88/79/836158879.db2.gz AOMNJNXGZDDBEE-SNVBAGLBSA-N 2 2 256.325 0.796 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]Cc1ccccn1 ZINC001169204486 836159630 /nfs/dbraw/zinc/15/96/30/836159630.db2.gz LUHJYAHDVOOFPY-UHFFFAOYSA-N 2 2 273.340 0.643 20 0 CCADLP Cc1nnsc1C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169204792 836167975 /nfs/dbraw/zinc/16/79/75/836167975.db2.gz QROPFTICUXSXLW-UHFFFAOYSA-N 2 2 294.384 0.408 20 0 CCADLP CCOC(=O)N1CCC[C@@H]([N@@H+]2CCO[C@@H](C[NH3+])C2)CC1 ZINC001169645716 836402455 /nfs/dbraw/zinc/40/24/55/836402455.db2.gz BTUVVPQXWLAHFX-OLZOCXBDSA-N 2 2 285.388 0.657 20 0 CCADLP CCOC(=O)N1CCC[C@@H]([N@H+]2CCO[C@@H](C[NH3+])C2)CC1 ZINC001169645716 836402461 /nfs/dbraw/zinc/40/24/61/836402461.db2.gz BTUVVPQXWLAHFX-OLZOCXBDSA-N 2 2 285.388 0.657 20 0 CCADLP CS(=O)(=O)C1CCC([NH2+]CCn2cc[nH+]c2)CC1 ZINC001169853962 836461314 /nfs/dbraw/zinc/46/13/14/836461314.db2.gz MWYSMOROZCVBBJ-UHFFFAOYSA-N 2 2 271.386 0.829 20 0 CCADLP Cn1cc[nH+]c1CC[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC001169871427 836470963 /nfs/dbraw/zinc/47/09/63/836470963.db2.gz WAZNHHTVFRFHEJ-UHFFFAOYSA-N 2 2 285.413 0.908 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]CCNC(=O)C2([NH+](C)C)CCC2)n1 ZINC001129364379 836527714 /nfs/dbraw/zinc/52/77/14/836527714.db2.gz UXQANFACZGMXGA-SNVBAGLBSA-N 2 2 295.387 0.629 20 0 CCADLP [NH3+]Cc1cccn1-c1cc[nH+]c(N2CCOCC2)n1 ZINC001156730435 836687997 /nfs/dbraw/zinc/68/79/97/836687997.db2.gz AYJGXWDIHBCCNJ-UHFFFAOYSA-N 2 2 259.313 0.563 20 0 CCADLP CO[C@H](C)C[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157265485 836907590 /nfs/dbraw/zinc/90/75/90/836907590.db2.gz SMKCLUDBZZXIGH-LLVKDONJSA-N 2 2 268.361 0.473 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[NH+](CCC[C@H](C)O)CC1 ZINC001113108911 837025746 /nfs/dbraw/zinc/02/57/46/837025746.db2.gz HHKJDLVTKWAYNQ-AWEZNQCLSA-N 2 2 294.399 0.497 20 0 CCADLP CC[C@@H](C(=O)N1CC[NH+](CCCO)CC1)[NH+](CC)CC ZINC001113341181 837092010 /nfs/dbraw/zinc/09/20/10/837092010.db2.gz NCIPQPRFGBAROS-AWEZNQCLSA-N 2 2 285.432 0.633 20 0 CCADLP COCCC[NH+]1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001113634526 837183314 /nfs/dbraw/zinc/18/33/14/837183314.db2.gz ISRNLJNUHJPYNP-UHFFFAOYSA-N 2 2 280.372 0.372 20 0 CCADLP CO[C@H](C)C[NH+]1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001113722866 837206759 /nfs/dbraw/zinc/20/67/59/837206759.db2.gz FJRDCUXBAPBHDC-CQSZACIVSA-N 2 2 294.399 0.842 20 0 CCADLP CC[N@H+](C)CCC(=O)NCCC[NH2+][C@H](C)c1noc(C)n1 ZINC001170222960 837269561 /nfs/dbraw/zinc/26/95/61/837269561.db2.gz PHWHODSKXDUCGL-LLVKDONJSA-N 2 2 297.403 0.877 20 0 CCADLP CC[N@@H+](C)CCC(=O)NCCC[NH2+][C@H](C)c1noc(C)n1 ZINC001170222960 837269571 /nfs/dbraw/zinc/26/95/71/837269571.db2.gz PHWHODSKXDUCGL-LLVKDONJSA-N 2 2 297.403 0.877 20 0 CCADLP Cc1[nH+]ccn1-c1cncc(NCC2C[NH+](C)C2)n1 ZINC001170254286 837286812 /nfs/dbraw/zinc/28/68/12/837286812.db2.gz YQCMJECUOULKQQ-UHFFFAOYSA-N 2 2 258.329 0.944 20 0 CCADLP CCOc1c(Cl)ncnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158206159 837987834 /nfs/dbraw/zinc/98/78/34/837987834.db2.gz AQEARDBFUPJIFN-MRVPVSSYSA-N 2 2 297.746 0.577 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1ocnc1C ZINC001131385373 838072837 /nfs/dbraw/zinc/07/28/37/838072837.db2.gz PFXSNMNLSPRCHO-UHFFFAOYSA-N 2 2 277.328 0.394 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]C[C@@H]1CCCCO1 ZINC001131656211 838171010 /nfs/dbraw/zinc/17/10/10/838171010.db2.gz LKKNSPZAOGOGIL-ZDUSSCGKSA-N 2 2 294.399 0.628 20 0 CCADLP CC(C)C[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131656803 838171724 /nfs/dbraw/zinc/17/17/24/838171724.db2.gz ZUMARGCHSUCKSW-UHFFFAOYSA-N 2 2 252.362 0.715 20 0 CCADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCCC[NH2+]CCF)[nH]n1 ZINC001158470913 838234462 /nfs/dbraw/zinc/23/44/62/838234462.db2.gz GENBNOFBMRZYEO-ZDUSSCGKSA-N 2 2 297.378 0.855 20 0 CCADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)NCCC[NH2+]CCF)[nH]n1 ZINC001158470913 838234471 /nfs/dbraw/zinc/23/44/71/838234471.db2.gz GENBNOFBMRZYEO-ZDUSSCGKSA-N 2 2 297.378 0.855 20 0 CCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1C[NH2+]CCO ZINC001184901758 844309049 /nfs/dbraw/zinc/30/90/49/844309049.db2.gz FAMKTTGOJSKZIJ-KGLIPLIRSA-N 2 2 294.399 0.340 20 0 CCADLP C[C@@H](O)C[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001158533653 838288553 /nfs/dbraw/zinc/28/85/53/838288553.db2.gz DIBMHXYBUJCTNQ-TZMCWYRMSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001158533653 838288559 /nfs/dbraw/zinc/28/85/59/838288559.db2.gz DIBMHXYBUJCTNQ-TZMCWYRMSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@H](O)C[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001158533652 838288987 /nfs/dbraw/zinc/28/89/87/838288987.db2.gz DIBMHXYBUJCTNQ-GXTWGEPZSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@H](O)C[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001158533652 838288994 /nfs/dbraw/zinc/28/89/94/838288994.db2.gz DIBMHXYBUJCTNQ-GXTWGEPZSA-N 2 2 294.399 0.646 20 0 CCADLP Cc1ncsc1C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132079610 838313195 /nfs/dbraw/zinc/31/31/95/838313195.db2.gz DEYFHIORCQHYSC-UHFFFAOYSA-N 2 2 293.396 0.944 20 0 CCADLP C[C@H](F)CC[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132082452 838315046 /nfs/dbraw/zinc/31/50/46/838315046.db2.gz PBHKYGLCKUMOQF-NSHDSACASA-N 2 2 256.325 0.727 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)C1CC[NH+](C)CC1)c1csnn1 ZINC001133281686 838584985 /nfs/dbraw/zinc/58/49/85/838584985.db2.gz HQKNMPJCYIIXTC-SNVBAGLBSA-N 2 2 297.428 0.647 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)C1CC[NH+](C)CC1)c1csnn1 ZINC001133281685 838585673 /nfs/dbraw/zinc/58/56/73/838585673.db2.gz HQKNMPJCYIIXTC-JTQLQIEISA-N 2 2 297.428 0.647 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)C2CC[NH+](C)CC2)oc1C ZINC001133285683 838588546 /nfs/dbraw/zinc/58/85/46/838588546.db2.gz CVEHGXVIXRCGBQ-UHFFFAOYSA-N 2 2 294.399 0.839 20 0 CCADLP CC(C)c1noc([C@H](C)[NH2+]CCNC(=O)CC[NH+](C)C)n1 ZINC001133294489 838592535 /nfs/dbraw/zinc/59/25/35/838592535.db2.gz KQPKSVCFJGOKIX-NSHDSACASA-N 2 2 297.403 0.912 20 0 CCADLP Cc1noc(C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C)n1 ZINC001133415932 838622617 /nfs/dbraw/zinc/62/26/17/838622617.db2.gz VLTFZPHNADEFAJ-GFCCVEGCSA-N 2 2 283.376 0.170 20 0 CCADLP CC(C)[C@H](C(=O)NCC[NH2+]Cc1csnn1)[NH+](C)C ZINC001133415860 838622667 /nfs/dbraw/zinc/62/26/67/838622667.db2.gz RMJWPKITHFJSMP-LLVKDONJSA-N 2 2 285.417 0.330 20 0 CCADLP Cc1ccnc(C[NH2+]CCNC(=O)C[N@@H+]2CCC[C@@H]2C)n1 ZINC001133834402 838734778 /nfs/dbraw/zinc/73/47/78/838734778.db2.gz WGNPBAVIBIZHRJ-ZDUSSCGKSA-N 2 2 291.399 0.475 20 0 CCADLP CC[C@@H](C(=O)NCC[NH2+][C@@H](C)c1nnc(C)o1)[NH+](C)C ZINC001133966007 838796336 /nfs/dbraw/zinc/79/63/36/838796336.db2.gz SYKYKXBEGWIWMY-ONGXEEELSA-N 2 2 283.376 0.485 20 0 CCADLP CC[C@@H](C(=O)NCC[NH2+]Cc1ncc(C)o1)[NH+](C)C ZINC001133983082 838804094 /nfs/dbraw/zinc/80/40/94/838804094.db2.gz YMUDUGVPHCKWDZ-NSHDSACASA-N 2 2 268.361 0.529 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CCCC1CCOCC1 ZINC001134393609 838965429 /nfs/dbraw/zinc/96/54/29/838965429.db2.gz PUZRRRAIPMJBLH-UHFFFAOYSA-N 2 2 294.399 0.865 20 0 CCADLP COCCC[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001134499229 838994959 /nfs/dbraw/zinc/99/49/59/838994959.db2.gz YYDDHLIDECMOPQ-GFCCVEGCSA-N 2 2 268.361 0.577 20 0 CCADLP C[C@@H](CC(=O)NCC[NH2+]CC1CCOCC1)n1cc[nH+]c1 ZINC001134517869 839001879 /nfs/dbraw/zinc/00/18/79/839001879.db2.gz VAZNZDJDNGGVBH-ZDUSSCGKSA-N 2 2 294.399 0.967 20 0 CCADLP C[C@H](C(=O)NCC[NH2+]Cc1cnon1)[NH+]1CCCCCC1 ZINC001134757928 839071326 /nfs/dbraw/zinc/07/13/26/839071326.db2.gz ULDIULULFPWULC-GFCCVEGCSA-N 2 2 295.387 0.540 20 0 CCADLP C[C@H](C[C@H](C)[NH2+]CCCO)NC(=O)CCc1[nH+]ccn1C ZINC001135055412 839142741 /nfs/dbraw/zinc/14/27/41/839142741.db2.gz DZWXIMRAXGPZCG-QWHCGFSZSA-N 2 2 296.415 0.608 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CC[C@@H]1CCCO1 ZINC001135080120 839155991 /nfs/dbraw/zinc/15/59/91/839155991.db2.gz LDFBEKFZARVJNC-JSGCOSHPSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]CC[C@@H]1CCCO1 ZINC001135080120 839155997 /nfs/dbraw/zinc/15/59/97/839155997.db2.gz LDFBEKFZARVJNC-JSGCOSHPSA-N 2 2 294.399 0.863 20 0 CCADLP CC(C)COCC[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001135080635 839158741 /nfs/dbraw/zinc/15/87/41/839158741.db2.gz YRCBQIPFHXJYLC-ZDUSSCGKSA-N 2 2 296.415 0.967 20 0 CCADLP CC(C)COCC[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001135080635 839158744 /nfs/dbraw/zinc/15/87/44/839158744.db2.gz YRCBQIPFHXJYLC-ZDUSSCGKSA-N 2 2 296.415 0.967 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]Cc1ccc(F)cc1 ZINC001135755910 839385527 /nfs/dbraw/zinc/38/55/27/839385527.db2.gz TYSAQUKCTWPESB-UHFFFAOYSA-N 2 2 276.315 0.997 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CCc1cccs1 ZINC001135758054 839394171 /nfs/dbraw/zinc/39/41/71/839394171.db2.gz WTNLVHVPFWLIGF-UHFFFAOYSA-N 2 2 278.381 0.962 20 0 CCADLP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ccn2cc[nH+]c2c1 ZINC001170873976 839482339 /nfs/dbraw/zinc/48/23/39/839482339.db2.gz NQRYATRNRJEAPO-VXGBXAGGSA-N 2 2 274.324 0.897 20 0 CCADLP C[C@H]1CC[C@@H]([NH2+]CCCCN2CC[NH2+]CC2)C[NH2+]1 ZINC001246089118 839602942 /nfs/dbraw/zinc/60/29/42/839602942.db2.gz OPJLEMLZHOZDBZ-UONOGXRCSA-N 3 2 254.422 0.402 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@@]2(C)CC[NH2+]C2)C[NH2+]1 ZINC001246096598 839609656 /nfs/dbraw/zinc/60/96/56/839609656.db2.gz LGQCMQTXIOXPMI-MJVIPROJSA-N 2 2 269.389 0.400 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)C[NH2+]1 ZINC001246251559 839740283 /nfs/dbraw/zinc/74/02/83/839740283.db2.gz XJKDUIJBEXTSEE-HZSPNIEDSA-N 3 2 267.417 0.875 20 0 CCADLP C[C@@H]1C[C@@H](N[C@H]2C[NH2+][C@H](C(=O)OC(C)(C)C)C2)C[NH2+]1 ZINC001246361568 839818553 /nfs/dbraw/zinc/81/85/53/839818553.db2.gz INFJSTPPSRGHDL-KKOKHZNYSA-N 2 2 269.389 0.399 20 0 CCADLP CC(C)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090851075 839853465 /nfs/dbraw/zinc/85/34/65/839853465.db2.gz YKNKZUIZEAKSMT-QWHCGFSZSA-N 2 2 280.372 0.091 20 0 CCADLP CC(C)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090851075 839853471 /nfs/dbraw/zinc/85/34/71/839853471.db2.gz YKNKZUIZEAKSMT-QWHCGFSZSA-N 2 2 280.372 0.091 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@]2(CC)CC[NH2+]C2)CN1 ZINC001246464673 839859428 /nfs/dbraw/zinc/85/94/28/839859428.db2.gz SKBZXILJKOXMBI-OBJOEFQTSA-N 2 2 269.389 0.402 20 0 CCADLP C[C@@H](O)C[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171153013 839984856 /nfs/dbraw/zinc/98/48/56/839984856.db2.gz VOICWDRHFVEEQP-QWHCGFSZSA-N 2 2 296.415 0.988 20 0 CCADLP C[C@@H](O)C[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171153013 839984862 /nfs/dbraw/zinc/98/48/62/839984862.db2.gz VOICWDRHFVEEQP-QWHCGFSZSA-N 2 2 296.415 0.988 20 0 CCADLP CC(C)(C)OC(=O)C1CCC([N@@H+]2C[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246562324 840030114 /nfs/dbraw/zinc/03/01/14/840030114.db2.gz ZMEKYVYAQQVTJR-FIYWTHMPSA-N 2 2 284.400 0.891 20 0 CCADLP CC(C)(C)OC(=O)C1CCC([N@H+]2C[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246562324 840030118 /nfs/dbraw/zinc/03/01/18/840030118.db2.gz ZMEKYVYAQQVTJR-FIYWTHMPSA-N 2 2 284.400 0.891 20 0 CCADLP COc1ccc(C[N@H+](C)CCN2CC[NH+](C)CC2)nc1 ZINC001144430307 840046982 /nfs/dbraw/zinc/04/69/82/840046982.db2.gz CHOORWDOJVQUDS-UHFFFAOYSA-N 2 2 278.400 0.769 20 0 CCADLP COc1ccc(C[N@@H+](C)CCN2CC[NH+](C)CC2)nc1 ZINC001144430307 840046989 /nfs/dbraw/zinc/04/69/89/840046989.db2.gz CHOORWDOJVQUDS-UHFFFAOYSA-N 2 2 278.400 0.769 20 0 CCADLP C[S@@](=O)CC[C@H]([NH3+])C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001160692569 840133040 /nfs/dbraw/zinc/13/30/40/840133040.db2.gz CNPQVHKNVBHLBB-QZXWKGOOSA-N 2 2 298.412 0.212 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+][C@H](C)c1cnccn1 ZINC001149123182 840330117 /nfs/dbraw/zinc/33/01/17/840330117.db2.gz INSLDVPNPJMEPD-LLVKDONJSA-N 2 2 288.355 0.518 20 0 CCADLP CCc1noc([C@@H](C)[NH2+]CCNC(=O)CC[N@@H+](C)CC)n1 ZINC001146746557 840366553 /nfs/dbraw/zinc/36/65/53/840366553.db2.gz HLXJSEODIUIYDY-LLVKDONJSA-N 2 2 297.403 0.741 20 0 CCADLP CCc1noc([C@@H](C)[NH2+]CCNC(=O)CC[N@H+](C)CC)n1 ZINC001146746557 840366565 /nfs/dbraw/zinc/36/65/65/840366565.db2.gz HLXJSEODIUIYDY-LLVKDONJSA-N 2 2 297.403 0.741 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]C[C@@H]1CCCOC1 ZINC001149123509 840427445 /nfs/dbraw/zinc/42/74/45/840427445.db2.gz JYMODFGKOAISRB-LBPRGKRZSA-N 2 2 280.372 0.393 20 0 CCADLP C[C@H]1CC[C@@H](C[NH2+]CCNC(=O)Cc2c[nH+]cn2C)O1 ZINC001147871623 840709200 /nfs/dbraw/zinc/70/92/00/840709200.db2.gz FKKKXCIDBHUJBT-AAEUAGOBSA-N 2 2 280.372 0.236 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CC[C@@H]1CCCO1 ZINC001147871667 840709413 /nfs/dbraw/zinc/70/94/13/840709413.db2.gz HJEMNMIVPDFRQG-ZDUSSCGKSA-N 2 2 280.372 0.238 20 0 CCADLP Cc1ccnc(C[NH2+]CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001147877917 840711226 /nfs/dbraw/zinc/71/12/26/840711226.db2.gz PMVHXCYMHZOPEG-ZDUSSCGKSA-N 2 2 291.399 0.333 20 0 CCADLP Cc1ccnc(C[NH2+]CCNC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001147877917 840711231 /nfs/dbraw/zinc/71/12/31/840711231.db2.gz PMVHXCYMHZOPEG-ZDUSSCGKSA-N 2 2 291.399 0.333 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)o1 ZINC001147994571 840732017 /nfs/dbraw/zinc/73/20/17/840732017.db2.gz KCHYUELXGYSMTB-SNVBAGLBSA-N 2 2 293.371 0.241 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1nc(C)c(C)o1 ZINC001148638827 840872688 /nfs/dbraw/zinc/87/26/88/840872688.db2.gz UANCSYFSDRCRRG-UHFFFAOYSA-N 2 2 282.388 0.839 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1nc(C)c(C)o1 ZINC001148638827 840872695 /nfs/dbraw/zinc/87/26/95/840872695.db2.gz UANCSYFSDRCRRG-UHFFFAOYSA-N 2 2 282.388 0.839 20 0 CCADLP CCN(C(=O)[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2)C1C[NH+](C)C1 ZINC001161138294 840880133 /nfs/dbraw/zinc/88/01/33/840880133.db2.gz RFGPCSGTDKRUCA-BBRMVZONSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H](CCCC[NH2+]CCO)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171358906 840945506 /nfs/dbraw/zinc/94/55/06/840945506.db2.gz NDCUABYQJLNRIH-YNEHKIRRSA-N 2 2 294.399 0.770 20 0 CCADLP C[C@@H](CCCC[NH2+]CCO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171358906 840945510 /nfs/dbraw/zinc/94/55/10/840945510.db2.gz NDCUABYQJLNRIH-YNEHKIRRSA-N 2 2 294.399 0.770 20 0 CCADLP CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1 ZINC000714247645 841189735 /nfs/dbraw/zinc/18/97/35/841189735.db2.gz ONLGIUHEGWPLRV-ZRHTZCORSA-N 2 2 270.398 0.148 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC000714339573 841193781 /nfs/dbraw/zinc/19/37/81/841193781.db2.gz QZGOYHLBFCKJFO-SDDRHHMPSA-N 2 2 260.403 0.684 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]2[C@H](CC[N@H+]2CCF)C1 ZINC001036830676 841338560 /nfs/dbraw/zinc/33/85/60/841338560.db2.gz YXRAOCLCUAYWNF-DGCLKSJQSA-N 2 2 280.347 0.845 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]2[C@H](CC[N@@H+]2CCF)C1 ZINC001036830676 841338571 /nfs/dbraw/zinc/33/85/71/841338571.db2.gz YXRAOCLCUAYWNF-DGCLKSJQSA-N 2 2 280.347 0.845 20 0 CCADLP CCc1cc(NCCNC(=O)C[NH+]2CCCC2)nc(C)[nH+]1 ZINC001093652428 841404261 /nfs/dbraw/zinc/40/42/61/841404261.db2.gz QYGMEFNYCFHLJR-UHFFFAOYSA-N 2 2 291.399 0.971 20 0 CCADLP Cc1nc(NCCNC(=O)[C@H](C2CC2)[NH+](C)C)cc[nH+]1 ZINC001093943524 841493791 /nfs/dbraw/zinc/49/37/91/841493791.db2.gz UGBODVPOSGHXRF-ZDUSSCGKSA-N 2 2 277.372 0.653 20 0 CCADLP COCC[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC001036909265 841686078 /nfs/dbraw/zinc/68/60/78/841686078.db2.gz BQWKNHJMBJJMAX-UONOGXRCSA-N 2 2 292.383 0.452 20 0 CCADLP COCC[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC001036909265 841686081 /nfs/dbraw/zinc/68/60/81/841686081.db2.gz BQWKNHJMBJJMAX-UONOGXRCSA-N 2 2 292.383 0.452 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]2[C@@H](CC[N@H+]2CCCO)C1 ZINC001036910777 841689714 /nfs/dbraw/zinc/68/97/14/841689714.db2.gz YZYLNGASWOFPQI-UONOGXRCSA-N 2 2 292.383 0.188 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCCO)C1 ZINC001036910777 841689721 /nfs/dbraw/zinc/68/97/21/841689721.db2.gz YZYLNGASWOFPQI-UONOGXRCSA-N 2 2 292.383 0.188 20 0 CCADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC(N3CCNC(=O)C3)C1)C2 ZINC001172125033 841834511 /nfs/dbraw/zinc/83/45/11/841834511.db2.gz NUHBSTSXNFSWJE-BTTYYORXSA-N 2 2 292.427 0.118 20 0 CCADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CC(N3CCNC(=O)C3)C1)C2 ZINC001172125033 841834522 /nfs/dbraw/zinc/83/45/22/841834522.db2.gz NUHBSTSXNFSWJE-BTTYYORXSA-N 2 2 292.427 0.118 20 0 CCADLP Cc1cc(N(C(N)=[NH2+])C2C[C@@H]3COC[C@H](C2)[N@@H+]3C)n[nH]1 ZINC001172133756 841838956 /nfs/dbraw/zinc/83/89/56/841838956.db2.gz GYJAPXVYUJIIEM-FGWVZKOKSA-N 2 2 278.360 0.280 20 0 CCADLP Cc1cc(N(C(N)=[NH2+])C2C[C@@H]3COC[C@H](C2)[N@H+]3C)n[nH]1 ZINC001172133756 841838961 /nfs/dbraw/zinc/83/89/61/841838961.db2.gz GYJAPXVYUJIIEM-FGWVZKOKSA-N 2 2 278.360 0.280 20 0 CCADLP CC[NH+](CC)CCNC(=[NH2+])NC1C[C@@H]2COC[C@H](C1)[N@@H+]2C ZINC001172133283 841839547 /nfs/dbraw/zinc/83/95/47/841839547.db2.gz CNNCEDLJZZJNON-AGUYFDCRSA-N 3 2 297.447 0.304 20 0 CCADLP CC[NH+](CC)CCNC(=[NH2+])NC1C[C@@H]2COC[C@H](C1)[N@H+]2C ZINC001172133283 841839553 /nfs/dbraw/zinc/83/95/53/841839553.db2.gz CNNCEDLJZZJNON-AGUYFDCRSA-N 3 2 297.447 0.304 20 0 CCADLP CC(C)(C)OC(=O)C[NH+]1CCC(N2CC([NH3+])C2)CC1 ZINC001172883531 841982439 /nfs/dbraw/zinc/98/24/39/841982439.db2.gz SDIAURLOQZOFCY-UHFFFAOYSA-N 2 2 269.389 0.435 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])N[C@@H]2CCc3ncsc3C2)CC1 ZINC001173123491 841998446 /nfs/dbraw/zinc/99/84/46/841998446.db2.gz FOSCYTAFGCZADQ-SNVBAGLBSA-N 2 2 279.413 0.772 20 0 CCADLP CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+]2CCO[C@H](C[NH3+])C2)C1 ZINC001173621812 842119434 /nfs/dbraw/zinc/11/94/34/842119434.db2.gz HXPCWWBXVBSRKS-JHJVBQTASA-N 2 2 270.373 0.768 20 0 CCADLP CCOC(=O)C[C@@H]1CC[C@@H]([N@H+]2CCO[C@H](C[NH3+])C2)C1 ZINC001173621812 842119441 /nfs/dbraw/zinc/11/94/41/842119441.db2.gz HXPCWWBXVBSRKS-JHJVBQTASA-N 2 2 270.373 0.768 20 0 CCADLP C[C@H](C[NH+](C)C)[NH2+][C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173729337 842160840 /nfs/dbraw/zinc/16/08/40/842160840.db2.gz DOFNCLBNUGHRGK-WOPDTQHZSA-N 2 2 252.366 0.697 20 0 CCADLP CC(C)C[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001176676174 842399435 /nfs/dbraw/zinc/39/94/35/842399435.db2.gz SPXNDVQOUXDGPI-HNNXBMFYSA-N 2 2 297.443 0.849 20 0 CCADLP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)CCn1cc[nH+]c1 ZINC001176877967 842437669 /nfs/dbraw/zinc/43/76/69/842437669.db2.gz QVCZSZNTEJWYPP-LLVKDONJSA-N 2 2 286.339 0.714 20 0 CCADLP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)CCn1cc[nH+]c1)C2 ZINC001176877663 842437784 /nfs/dbraw/zinc/43/77/84/842437784.db2.gz LCBOBGMRXXTSOA-TZMCWYRMSA-N 2 2 262.357 0.683 20 0 CCADLP C[NH+](C)[C@H](C(=O)NCCC[NH2+]CCCO)c1cccnc1 ZINC001177064035 842498759 /nfs/dbraw/zinc/49/87/59/842498759.db2.gz KJVSOPZVZKCZQO-AWEZNQCLSA-N 2 2 294.399 0.163 20 0 CCADLP C[C@H](O)CCC[NH2+]CCCNC(=O)CCCn1cc[nH+]c1 ZINC001177351520 842562858 /nfs/dbraw/zinc/56/28/58/842562858.db2.gz GHMTXKZHVKWISE-AWEZNQCLSA-N 2 2 296.415 0.920 20 0 CCADLP COc1cc(C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)on1 ZINC001177404481 842577496 /nfs/dbraw/zinc/57/74/96/842577496.db2.gz BFTWZTGSNMUUDC-UHFFFAOYSA-N 2 2 293.327 0.176 20 0 CCADLP CO[C@@H](C)C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177405151 842578236 /nfs/dbraw/zinc/57/82/36/842578236.db2.gz KVUGCWFWIQMNGN-NSHDSACASA-N 2 2 254.334 0.014 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]CCc1ccns1 ZINC001177404871 842578297 /nfs/dbraw/zinc/57/82/97/842578297.db2.gz IRESJBKHYALNOP-UHFFFAOYSA-N 2 2 293.396 0.678 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]Cc1ccns1 ZINC001177404734 842579188 /nfs/dbraw/zinc/57/91/88/842579188.db2.gz GOAMUDOJJCERRR-UHFFFAOYSA-N 2 2 279.369 0.636 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)CN(C)c1cccc[nH+]1 ZINC001177413699 842584651 /nfs/dbraw/zinc/58/46/51/842584651.db2.gz GOWSORYBFMXTEI-NSHDSACASA-N 2 2 250.346 0.584 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]CC1CCOCC1 ZINC001177411383 842585610 /nfs/dbraw/zinc/58/56/10/842585610.db2.gz OOGAHTSUIJNRNU-UHFFFAOYSA-N 2 2 280.372 0.406 20 0 CCADLP CN(CC(=O)NC[C@@H]1CC[N@H+](C)C1)c1cccc[nH+]1 ZINC001177417046 842587762 /nfs/dbraw/zinc/58/77/62/842587762.db2.gz JQLJKEMFSHILKG-LBPRGKRZSA-N 2 2 262.357 0.586 20 0 CCADLP CN(CC(=O)NC[C@@H]1CC[N@@H+](C)C1)c1cccc[nH+]1 ZINC001177417046 842587764 /nfs/dbraw/zinc/58/77/64/842587764.db2.gz JQLJKEMFSHILKG-LBPRGKRZSA-N 2 2 262.357 0.586 20 0 CCADLP CN(CC(=O)NC1(CO)CC[NH+](C)CC1)c1cccc[nH+]1 ZINC001177418137 842587780 /nfs/dbraw/zinc/58/77/80/842587780.db2.gz WDTJYSQYOLPGOF-UHFFFAOYSA-N 2 2 292.383 0.091 20 0 CCADLP C[C@H]1CN(CC[NH2+]Cc2c[nH+]ccc2N(C)C)CCO1 ZINC001177748420 842666367 /nfs/dbraw/zinc/66/63/67/842666367.db2.gz BGMORSLQKMVNAI-ZDUSSCGKSA-N 2 2 278.400 0.958 20 0 CCADLP C[C@H](C(=O)NC1CC[NH+](CCF)CC1)n1cc[nH+]c1 ZINC001177927193 842716405 /nfs/dbraw/zinc/71/64/05/842716405.db2.gz PZIDOYIJOIPVCZ-LLVKDONJSA-N 2 2 268.336 0.994 20 0 CCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N(c1ncccn1)C1C[NH2+]C1 ZINC001178105377 842758635 /nfs/dbraw/zinc/75/86/35/842758635.db2.gz SSGRKUBSZYCYAK-LLVKDONJSA-N 2 2 298.350 0.241 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCCCCCC[NH2+]CCCO ZINC001178653409 842890769 /nfs/dbraw/zinc/89/07/69/842890769.db2.gz AZVPVBFZOFEWTC-UHFFFAOYSA-N 2 2 296.415 0.991 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCCCCCC[NH2+]CCCO ZINC001178653409 842890781 /nfs/dbraw/zinc/89/07/81/842890781.db2.gz AZVPVBFZOFEWTC-UHFFFAOYSA-N 2 2 296.415 0.991 20 0 CCADLP C/C(=C/C(=O)N[C@@H]1C[N@@H+](C)CC1(C)C)C[NH+]1CCOCC1 ZINC001178710145 842911682 /nfs/dbraw/zinc/91/16/82/842911682.db2.gz WKZYTDMJRVJSPT-RNQWEJQRSA-N 2 2 295.427 0.721 20 0 CCADLP C/C(=C/C(=O)N[C@@H]1C[N@H+](C)CC1(C)C)C[NH+]1CCOCC1 ZINC001178710145 842911692 /nfs/dbraw/zinc/91/16/92/842911692.db2.gz WKZYTDMJRVJSPT-RNQWEJQRSA-N 2 2 295.427 0.721 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001180280122 843142913 /nfs/dbraw/zinc/14/29/13/843142913.db2.gz TYOBAAMICSHJNX-RYUDHWBXSA-N 2 2 266.345 0.109 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCCC2)CC1 ZINC001180578969 843194957 /nfs/dbraw/zinc/19/49/57/843194957.db2.gz JATOCZSUYZVFOF-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)C1 ZINC001181981165 843660303 /nfs/dbraw/zinc/66/03/03/843660303.db2.gz ATFHBYAKWAAEPV-WCQYABFASA-N 2 2 280.372 0.160 20 0 CCADLP CC(C)[N@H+]1CC[C@H](C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)C1 ZINC001181981165 843660308 /nfs/dbraw/zinc/66/03/08/843660308.db2.gz ATFHBYAKWAAEPV-WCQYABFASA-N 2 2 280.372 0.160 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)C1 ZINC001181981165 843660312 /nfs/dbraw/zinc/66/03/12/843660312.db2.gz ATFHBYAKWAAEPV-WCQYABFASA-N 2 2 280.372 0.160 20 0 CCADLP CC(C)[N@H+]1CC[C@H](C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)C1 ZINC001181981165 843660318 /nfs/dbraw/zinc/66/03/18/843660318.db2.gz ATFHBYAKWAAEPV-WCQYABFASA-N 2 2 280.372 0.160 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC001181971583 843674852 /nfs/dbraw/zinc/67/48/52/843674852.db2.gz ABLKPXQHMUSZIB-GFCCVEGCSA-N 2 2 250.346 0.730 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC001181971583 843674854 /nfs/dbraw/zinc/67/48/54/843674854.db2.gz ABLKPXQHMUSZIB-GFCCVEGCSA-N 2 2 250.346 0.730 20 0 CCADLP C[NH+](C)C1(C(=O)N[C@H]2CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001182602116 843872911 /nfs/dbraw/zinc/87/29/11/843872911.db2.gz WJGOHLWTDJZJRN-AWEZNQCLSA-N 2 2 288.395 0.866 20 0 CCADLP C[NH+](C)C1(C(=O)N[C@H]2CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001182602116 843872924 /nfs/dbraw/zinc/87/29/24/843872924.db2.gz WJGOHLWTDJZJRN-AWEZNQCLSA-N 2 2 288.395 0.866 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+]CCOC(C)C)C1 ZINC001187420103 844721271 /nfs/dbraw/zinc/72/12/71/844721271.db2.gz APJZIZAOJQFLQZ-CYBMUJFWSA-N 2 2 294.399 0.876 20 0 CCADLP C[NH+]1CCN(c2ccc(CC[NH+]3CCOCC3)cn2)CC1 ZINC001250275334 844857936 /nfs/dbraw/zinc/85/79/36/844857936.db2.gz GRVPSQUQMQCTIQ-UHFFFAOYSA-N 2 2 290.411 0.708 20 0 CCADLP CCOCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001188375775 844875685 /nfs/dbraw/zinc/87/56/85/844875685.db2.gz KTLQOXIRASGLSQ-GFCCVEGCSA-N 2 2 266.345 0.110 20 0 CCADLP COCCC[N@H+](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189872771 845238656 /nfs/dbraw/zinc/23/86/56/845238656.db2.gz AIKKWQYQRGUIMS-CYBMUJFWSA-N 2 2 294.399 0.912 20 0 CCADLP COCCC[N@@H+](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189872771 845238672 /nfs/dbraw/zinc/23/86/72/845238672.db2.gz AIKKWQYQRGUIMS-CYBMUJFWSA-N 2 2 294.399 0.912 20 0 CCADLP COCCC[N@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001191633721 845698363 /nfs/dbraw/zinc/69/83/63/845698363.db2.gz SZJQPARYJDQEMQ-AWEZNQCLSA-N 2 2 294.399 0.842 20 0 CCADLP COCCC[N@@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001191633721 845698368 /nfs/dbraw/zinc/69/83/68/845698368.db2.gz SZJQPARYJDQEMQ-AWEZNQCLSA-N 2 2 294.399 0.842 20 0 CCADLP CCN(CC[NH2+]Cc1ccnn1C)C(=O)Cc1c[nH+]c[nH]1 ZINC001273628763 845759833 /nfs/dbraw/zinc/75/98/33/845759833.db2.gz NXFRJVMSFHKPEP-UHFFFAOYSA-N 2 2 290.371 0.324 20 0 CCADLP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1ccc(O)c(F)c1F ZINC001192842184 845922274 /nfs/dbraw/zinc/92/22/74/845922274.db2.gz FEJBBXPQBLKOLD-UHFFFAOYSA-N 2 2 286.282 0.745 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]([N@H+](C)CCCF)C1 ZINC001193461198 846083689 /nfs/dbraw/zinc/08/36/89/846083689.db2.gz GCMRGEKZCGRQAQ-GFCCVEGCSA-N 2 2 282.363 0.855 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]([N@@H+](C)CCCF)C1 ZINC001193461198 846083698 /nfs/dbraw/zinc/08/36/98/846083698.db2.gz GCMRGEKZCGRQAQ-GFCCVEGCSA-N 2 2 282.363 0.855 20 0 CCADLP C[N@@H+]1CC[C@@]2(CC[NH+](CCNC(=O)C3CC3)C2)C1 ZINC001194692194 846359134 /nfs/dbraw/zinc/35/91/34/846359134.db2.gz MJCISJIXKHJPKT-CQSZACIVSA-N 2 2 251.374 0.540 20 0 CCADLP C[N@H+]1CC[C@@]2(CC[NH+](CCNC(=O)C3CC3)C2)C1 ZINC001194692194 846359140 /nfs/dbraw/zinc/35/91/40/846359140.db2.gz MJCISJIXKHJPKT-CQSZACIVSA-N 2 2 251.374 0.540 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@H+](CCNC(=O)C3CC3)C2)C1 ZINC001194692194 846359146 /nfs/dbraw/zinc/35/91/46/846359146.db2.gz MJCISJIXKHJPKT-CQSZACIVSA-N 2 2 251.374 0.540 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@@H+](CCNC(=O)C3CC3)C2)C1 ZINC001194692194 846359149 /nfs/dbraw/zinc/35/91/49/846359149.db2.gz MJCISJIXKHJPKT-CQSZACIVSA-N 2 2 251.374 0.540 20 0 CCADLP CC(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195129131 846468624 /nfs/dbraw/zinc/46/86/24/846468624.db2.gz ZMFFEEFVJJEWKF-ZIAGYGMSSA-N 2 2 294.399 0.481 20 0 CCADLP CC(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195129131 846468631 /nfs/dbraw/zinc/46/86/31/846468631.db2.gz ZMFFEEFVJJEWKF-ZIAGYGMSSA-N 2 2 294.399 0.481 20 0 CCADLP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cc(Cl)ncc1O ZINC001196396992 846741932 /nfs/dbraw/zinc/74/19/32/846741932.db2.gz RDNYPEPAVQRHHX-UHFFFAOYSA-N 2 2 285.735 0.515 20 0 CCADLP C[C@@H](O)CCC[N@@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001197269589 846889426 /nfs/dbraw/zinc/88/94/26/846889426.db2.gz QIWIYGXCBNPDQR-CYBMUJFWSA-N 2 2 294.399 0.648 20 0 CCADLP CC/C=C/CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001199405685 847325525 /nfs/dbraw/zinc/32/55/25/847325525.db2.gz JCRLBUGCHSMCBU-LSMGEYOZSA-N 2 2 292.383 0.401 20 0 CCADLP CCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCCO1 ZINC001202216964 847868683 /nfs/dbraw/zinc/86/86/83/847868683.db2.gz LOHTWQVECPKMCN-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCCO[C@@H](C[NH2+]CCF)C1 ZINC001202216654 847870104 /nfs/dbraw/zinc/87/01/04/847870104.db2.gz HRIXWTZKIJOEER-LBPRGKRZSA-N 2 2 284.335 0.060 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]C1(C)CCS(=O)(=O)CC1 ZINC001253214338 848161298 /nfs/dbraw/zinc/16/12/98/848161298.db2.gz OFQNDDDUCLOMPC-GFCCVEGCSA-N 2 2 292.445 0.246 20 0 CCADLP C[C@H](O)C[N@@H+]1CCC[C@@]12CCN(Cc1c[nH+]cn1C)C2=O ZINC001274051381 848324312 /nfs/dbraw/zinc/32/43/12/848324312.db2.gz FHXHRXUJTCGCKK-WFASDCNBSA-N 2 2 292.383 0.368 20 0 CCADLP C[C@H](O)C[N@H+]1CCC[C@@]12CCN(Cc1c[nH+]cn1C)C2=O ZINC001274051381 848324322 /nfs/dbraw/zinc/32/43/22/848324322.db2.gz FHXHRXUJTCGCKK-WFASDCNBSA-N 2 2 292.383 0.368 20 0 CCADLP COCC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001274258715 848432785 /nfs/dbraw/zinc/43/27/85/848432785.db2.gz BKQZPCBEDMPPBS-PWSUYJOCSA-N 2 2 266.345 0.035 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC/C=C/C[NH2+]C(C)C ZINC001274536802 848497956 /nfs/dbraw/zinc/49/79/56/848497956.db2.gz WWCIRQDZZYLYBC-SNAWJCMRSA-N 2 2 250.346 0.931 20 0 CCADLP C[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4cc[nH]n4)CC3)[C@H]2C1 ZINC001275202567 848663550 /nfs/dbraw/zinc/66/35/50/848663550.db2.gz OSWSSYUWXQHRLZ-STQMWFEESA-N 2 2 289.383 0.052 20 0 CCADLP C[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4cc[nH]n4)CC3)[C@H]2C1 ZINC001275202567 848663553 /nfs/dbraw/zinc/66/35/53/848663553.db2.gz OSWSSYUWXQHRLZ-STQMWFEESA-N 2 2 289.383 0.052 20 0 CCADLP COCCOC[NH+]1CC2(C1)CC[NH+](Cc1cc[nH]n1)CC2 ZINC001275202899 848664283 /nfs/dbraw/zinc/66/42/83/848664283.db2.gz TWJKLGPKMUKSBD-UHFFFAOYSA-N 2 2 294.399 0.928 20 0 CCADLP C[C@@H](C[NH2+]CC[C@H]1CCCO1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001275381895 848705474 /nfs/dbraw/zinc/70/54/74/848705474.db2.gz IJPKUHYZXVDHTL-NWDGAFQWSA-N 2 2 280.372 0.616 20 0 CCADLP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]CC1CC1 ZINC001275581108 848768408 /nfs/dbraw/zinc/76/84/08/848768408.db2.gz YCJFCUFIXZBTNU-QWRGUYRKSA-N 2 2 250.346 0.776 20 0 CCADLP C[C@@H]([NH2+]CC1CC1)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001275581107 848768452 /nfs/dbraw/zinc/76/84/52/848768452.db2.gz YCJFCUFIXZBTNU-MNOVXSKESA-N 2 2 250.346 0.776 20 0 CCADLP C[C@H]1C[C@@H]1C[N@@H+]1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001276034341 848899404 /nfs/dbraw/zinc/89/94/04/848899404.db2.gz YQGUHRPEKYMXKB-XUWVNRHRSA-N 2 2 290.411 0.924 20 0 CCADLP C[C@H]1C[C@@H]1C[N@H+]1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001276034341 848899407 /nfs/dbraw/zinc/89/94/07/848899407.db2.gz YQGUHRPEKYMXKB-XUWVNRHRSA-N 2 2 290.411 0.924 20 0 CCADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccon1 ZINC001276070890 848916253 /nfs/dbraw/zinc/91/62/53/848916253.db2.gz QKZQDPNBVTXJCO-KBPBESRZSA-N 2 2 264.373 0.885 20 0 CCADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccon1 ZINC001276070890 848916261 /nfs/dbraw/zinc/91/62/61/848916261.db2.gz QKZQDPNBVTXJCO-KBPBESRZSA-N 2 2 264.373 0.885 20 0 CCADLP Cc1nn(C)cc1C[NH+]1CC2(CCN2CC[NH+](C)C)C1 ZINC001276200729 848958958 /nfs/dbraw/zinc/95/89/58/848958958.db2.gz PQRMHIINIXYTAG-UHFFFAOYSA-N 2 2 277.416 0.550 20 0 CCADLP Cn1cc(C[NH+]2CC3(C2)CCN(CC[NH+](C)C)C3)cn1 ZINC001276223521 848965735 /nfs/dbraw/zinc/96/57/35/848965735.db2.gz ORPPRUGQOIZYQA-UHFFFAOYSA-N 2 2 277.416 0.489 20 0 CCADLP CO[C@@H]1CC[C@@H](C)[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000687190044 849094687 /nfs/dbraw/zinc/09/46/87/849094687.db2.gz DWGAXNVYUJGVDD-MRVWCRGKSA-N 2 2 256.390 0.941 20 0 CCADLP CO[C@@H]1CC[C@@H](C)[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000687190044 849094689 /nfs/dbraw/zinc/09/46/89/849094689.db2.gz DWGAXNVYUJGVDD-MRVWCRGKSA-N 2 2 256.390 0.941 20 0 CCADLP CO[C@@H]1CC[C@@H](C)[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000687190044 849094692 /nfs/dbraw/zinc/09/46/92/849094692.db2.gz DWGAXNVYUJGVDD-MRVWCRGKSA-N 2 2 256.390 0.941 20 0 CCADLP CO[C@@H]1CC[C@@H](C)[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000687190044 849094695 /nfs/dbraw/zinc/09/46/95/849094695.db2.gz DWGAXNVYUJGVDD-MRVWCRGKSA-N 2 2 256.390 0.941 20 0 CCADLP CC[NH+]1CCC([NH2+]Cc2cccc(S(N)(=O)=O)c2)CC1 ZINC000037649812 849208109 /nfs/dbraw/zinc/20/81/09/849208109.db2.gz IKRCNVRLNVCJPJ-UHFFFAOYSA-N 2 2 297.424 0.908 20 0 CCADLP C[NH2+]C1CC[NH+](Cc2ccc(OCC(N)=O)cc2)CC1 ZINC000380813008 849693142 /nfs/dbraw/zinc/69/31/42/849693142.db2.gz ZHQNZBSDGJETSH-UHFFFAOYSA-N 2 2 277.368 0.735 20 0 CCADLP COCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001038411574 849884487 /nfs/dbraw/zinc/88/44/87/849884487.db2.gz JVLHFBGYOHWJSU-OLZOCXBDSA-N 2 2 292.383 0.282 20 0 CCADLP COCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001038411574 849884495 /nfs/dbraw/zinc/88/44/95/849884495.db2.gz JVLHFBGYOHWJSU-OLZOCXBDSA-N 2 2 292.383 0.282 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724572213 850202874 /nfs/dbraw/zinc/20/28/74/850202874.db2.gz YFWRLXDZVDSUOH-HTVCTNPSSA-N 2 2 254.374 0.992 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724572213 850202884 /nfs/dbraw/zinc/20/28/84/850202884.db2.gz YFWRLXDZVDSUOH-HTVCTNPSSA-N 2 2 254.374 0.992 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001042034372 850564541 /nfs/dbraw/zinc/56/45/41/850564541.db2.gz IURRZYQIWXWALK-STQMWFEESA-N 2 2 292.383 0.257 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001042034372 850564551 /nfs/dbraw/zinc/56/45/51/850564551.db2.gz IURRZYQIWXWALK-STQMWFEESA-N 2 2 292.383 0.257 20 0 CCADLP CC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@H]21 ZINC001042314677 850613468 /nfs/dbraw/zinc/61/34/68/850613468.db2.gz VAFSACHNAMJSAX-GXTWGEPZSA-N 2 2 276.384 0.905 20 0 CCADLP CC[N@H+]1CC[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@H]21 ZINC001042314677 850613470 /nfs/dbraw/zinc/61/34/70/850613470.db2.gz VAFSACHNAMJSAX-GXTWGEPZSA-N 2 2 276.384 0.905 20 0 CCADLP CC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001042385442 850622971 /nfs/dbraw/zinc/62/29/71/850622971.db2.gz SIOXMNONTLSPKW-QWHCGFSZSA-N 2 2 262.357 0.826 20 0 CCADLP CC[N@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001042385442 850622975 /nfs/dbraw/zinc/62/29/75/850622975.db2.gz SIOXMNONTLSPKW-QWHCGFSZSA-N 2 2 262.357 0.826 20 0 CCADLP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1C[NH+](CC2CCCC2)C1 ZINC001042570836 850700274 /nfs/dbraw/zinc/70/02/74/850700274.db2.gz MQPCYZOZAWOMLJ-HNNXBMFYSA-N 2 2 295.427 0.650 20 0 CCADLP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1C[NH+](CC2CCCC2)C1 ZINC001042570836 850700281 /nfs/dbraw/zinc/70/02/81/850700281.db2.gz MQPCYZOZAWOMLJ-HNNXBMFYSA-N 2 2 295.427 0.650 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](C[C@H](C)O)C1 ZINC001042848181 850768781 /nfs/dbraw/zinc/76/87/81/850768781.db2.gz MVXJXQFHSLVEAX-JSGCOSHPSA-N 2 2 283.416 0.384 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](C[C@H](C)O)C1 ZINC001042848181 850768790 /nfs/dbraw/zinc/76/87/90/850768790.db2.gz MVXJXQFHSLVEAX-JSGCOSHPSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)C1C[NH+](CCO)C1 ZINC001042924757 850781864 /nfs/dbraw/zinc/78/18/64/850781864.db2.gz UHAWPQLBQVJJFO-CYBMUJFWSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)C1C[NH+](CCO)C1 ZINC001042924757 850781873 /nfs/dbraw/zinc/78/18/73/850781873.db2.gz UHAWPQLBQVJJFO-CYBMUJFWSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@H](O)C[NH+]1CC(N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001043056653 850804331 /nfs/dbraw/zinc/80/43/31/850804331.db2.gz ANFILKVMKGSPMD-ZDUSSCGKSA-N 2 2 295.427 0.386 20 0 CCADLP COC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001043099854 850813179 /nfs/dbraw/zinc/81/31/79/850813179.db2.gz QNYSMLWOMASHJE-TZMCWYRMSA-N 2 2 283.416 0.648 20 0 CCADLP COC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001043099854 850813172 /nfs/dbraw/zinc/81/31/72/850813172.db2.gz QNYSMLWOMASHJE-TZMCWYRMSA-N 2 2 283.416 0.648 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+](C[C@@H](C)O)C1 ZINC001043198562 850826295 /nfs/dbraw/zinc/82/62/95/850826295.db2.gz UIPHPDIQQZMZES-UKRRQHHQSA-N 2 2 297.443 0.630 20 0 CCADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+](C[C@@H](C)O)C1 ZINC001043198562 850826298 /nfs/dbraw/zinc/82/62/98/850826298.db2.gz UIPHPDIQQZMZES-UKRRQHHQSA-N 2 2 297.443 0.630 20 0 CCADLP CC[C@@H](C)C[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001044317081 851075709 /nfs/dbraw/zinc/07/57/09/851075709.db2.gz HQGPMBMXNDJQNH-UKRRQHHQSA-N 2 2 297.443 0.896 20 0 CCADLP CC[C@@H](C)C[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001044317081 851075721 /nfs/dbraw/zinc/07/57/21/851075721.db2.gz HQGPMBMXNDJQNH-UKRRQHHQSA-N 2 2 297.443 0.896 20 0 CCADLP CCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001044321165 851076248 /nfs/dbraw/zinc/07/62/48/851076248.db2.gz VZWDEVUFCJXRNK-CYBMUJFWSA-N 2 2 269.389 0.260 20 0 CCADLP CCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001044321165 851076254 /nfs/dbraw/zinc/07/62/54/851076254.db2.gz VZWDEVUFCJXRNK-CYBMUJFWSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCO)CCN1C(=O)CCc1[nH+]ccn1C ZINC001044685721 851143631 /nfs/dbraw/zinc/14/36/31/851143631.db2.gz PBEABGJSLQVQQN-QWHCGFSZSA-N 2 2 294.399 0.314 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365655457 851235117 /nfs/dbraw/zinc/23/51/17/851235117.db2.gz GERXCDOJAHUVLX-GHMZBOCLSA-N 2 2 293.371 0.444 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365655457 851235122 /nfs/dbraw/zinc/23/51/22/851235122.db2.gz GERXCDOJAHUVLX-GHMZBOCLSA-N 2 2 293.371 0.444 20 0 CCADLP Cc1nc(N2CCC[C@H](NC(=O)CC[NH+](C)C)C2)cc[nH+]1 ZINC001096225296 851845677 /nfs/dbraw/zinc/84/56/77/851845677.db2.gz ZQXWAWRIBMFDLJ-ZDUSSCGKSA-N 2 2 291.399 0.822 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](C)O ZINC001096433325 852089986 /nfs/dbraw/zinc/08/99/86/852089986.db2.gz MPGUTXXGMBZXNE-RCCPXBDUSA-N 2 2 292.383 0.363 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](C)O ZINC001096433325 852089993 /nfs/dbraw/zinc/08/99/93/852089993.db2.gz MPGUTXXGMBZXNE-RCCPXBDUSA-N 2 2 292.383 0.363 20 0 CCADLP Cc1nc(N[C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)cc[nH+]1 ZINC001097094775 852497681 /nfs/dbraw/zinc/49/76/81/852497681.db2.gz OKSSNPAHZDOKIT-HAQNSBGRSA-N 2 2 277.372 0.796 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCOC2(C[NH+](CCCF)C2)C1 ZINC001053190338 852706852 /nfs/dbraw/zinc/70/68/52/852706852.db2.gz RMCUFSYAVKSRPA-ZDUSSCGKSA-N 2 2 299.390 0.353 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCOC2(C[NH+](CCCF)C2)C1 ZINC001053190338 852706856 /nfs/dbraw/zinc/70/68/56/852706856.db2.gz RMCUFSYAVKSRPA-ZDUSSCGKSA-N 2 2 299.390 0.353 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)C[C@@H]1CC[N@H+](C)C1)CCO2 ZINC001053507092 852751701 /nfs/dbraw/zinc/75/17/01/852751701.db2.gz CFRWEERMMQTLMD-AWEZNQCLSA-N 2 2 295.427 0.651 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)CCO2 ZINC001053507092 852751705 /nfs/dbraw/zinc/75/17/05/852751705.db2.gz CFRWEERMMQTLMD-AWEZNQCLSA-N 2 2 295.427 0.651 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)C[C@@H]1CC[N@H+](C)C1)CCO2 ZINC001053506583 852752453 /nfs/dbraw/zinc/75/24/53/852752453.db2.gz KWMJEMBAAIGHRA-ZDUSSCGKSA-N 2 2 281.400 0.261 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)CCO2 ZINC001053506583 852752455 /nfs/dbraw/zinc/75/24/55/852752455.db2.gz KWMJEMBAAIGHRA-ZDUSSCGKSA-N 2 2 281.400 0.261 20 0 CCADLP CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)CO2 ZINC001053847007 852831563 /nfs/dbraw/zinc/83/15/63/852831563.db2.gz VEKMSXCBIBOODD-UONOGXRCSA-N 2 2 295.427 0.840 20 0 CCADLP CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)CO2 ZINC001053847007 852831566 /nfs/dbraw/zinc/83/15/66/852831566.db2.gz VEKMSXCBIBOODD-UONOGXRCSA-N 2 2 295.427 0.840 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)CO2 ZINC001053982202 852863759 /nfs/dbraw/zinc/86/37/59/852863759.db2.gz GAUQCDRIGXKTMS-STQMWFEESA-N 2 2 281.400 0.308 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)CO2 ZINC001053982202 852863767 /nfs/dbraw/zinc/86/37/67/852863767.db2.gz GAUQCDRIGXKTMS-STQMWFEESA-N 2 2 281.400 0.308 20 0 CCADLP CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1cc[nH+]c1C)CO2 ZINC001054007068 852866496 /nfs/dbraw/zinc/86/64/96/852866496.db2.gz WDIHNLBUPODARG-ZDUSSCGKSA-N 2 2 292.383 0.561 20 0 CCADLP Cc1nc(N[C@@H](C)CNC(=O)COCC[NH+](C)C)cc[nH+]1 ZINC001097953730 853001697 /nfs/dbraw/zinc/00/16/97/853001697.db2.gz IVOUZZAAIMPMIM-NSHDSACASA-N 2 2 295.387 0.280 20 0 CCADLP CC(C)(C(=O)N1CCC[C@H]([NH2+]CCO)C1)c1c[nH+]c[nH]1 ZINC001000701665 853246810 /nfs/dbraw/zinc/24/68/10/853246810.db2.gz KYROMOHDMOTCFA-NSHDSACASA-N 2 2 280.372 0.260 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC2(C1)CC[NH+](CCCO)CC2 ZINC001050681259 853413615 /nfs/dbraw/zinc/41/36/15/853413615.db2.gz FKPDUFWDBKTURJ-UHFFFAOYSA-N 2 2 292.383 0.259 20 0 CCADLP CC(C)[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001051648925 853617140 /nfs/dbraw/zinc/61/71/40/853617140.db2.gz YQRJUPGFDUIHCV-ZDUSSCGKSA-N 2 2 280.372 0.568 20 0 CCADLP CC(C)[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC001051648925 853617144 /nfs/dbraw/zinc/61/71/44/853617144.db2.gz YQRJUPGFDUIHCV-ZDUSSCGKSA-N 2 2 280.372 0.568 20 0 CCADLP CC(C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001051848567 853651126 /nfs/dbraw/zinc/65/11/26/853651126.db2.gz VHXIBJWYFVYIAQ-GFCCVEGCSA-N 2 2 266.345 0.178 20 0 CCADLP C[NH+]1CCN(C2C[NH+](Cc3c[nH]c4ncccc34)C2)CC1 ZINC001137405511 853787344 /nfs/dbraw/zinc/78/73/44/853787344.db2.gz CIWVCRUHLMRFEC-UHFFFAOYSA-N 2 2 285.395 0.995 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](Cc2cncnc2)CCC1=O ZINC001137669338 853792050 /nfs/dbraw/zinc/79/20/50/853792050.db2.gz NICMAPIOSGDOHG-UHFFFAOYSA-N 2 2 277.372 0.073 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](Cc2cncnc2)CCC1=O ZINC001137669338 853792056 /nfs/dbraw/zinc/79/20/56/853792056.db2.gz NICMAPIOSGDOHG-UHFFFAOYSA-N 2 2 277.372 0.073 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCc1nnc2ccccn21 ZINC000133437429 853840760 /nfs/dbraw/zinc/84/07/60/853840760.db2.gz XVVVSHMXSNBOFD-STQMWFEESA-N 2 2 289.383 0.628 20 0 CCADLP CCN(C)C(=O)[C@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000392970251 854098447 /nfs/dbraw/zinc/09/84/47/854098447.db2.gz UUCICAWZACHLCH-ASHHDVGLSA-N 2 2 251.374 0.439 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCO)C1 ZINC001072029820 854338996 /nfs/dbraw/zinc/33/89/96/854338996.db2.gz KEROGZIECRCMKA-JQWIXIFHSA-N 2 2 280.372 0.222 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](C)[N@H+](CCO)C1 ZINC001072029820 854338998 /nfs/dbraw/zinc/33/89/98/854338998.db2.gz KEROGZIECRCMKA-JQWIXIFHSA-N 2 2 280.372 0.222 20 0 CCADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000396563864 854367881 /nfs/dbraw/zinc/36/78/81/854367881.db2.gz UXSOHXXSCDZTMW-ZIAGYGMSSA-N 3 2 268.449 0.743 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC2(C1)CC[N@@H+](CCCF)C2 ZINC001073079566 854524859 /nfs/dbraw/zinc/52/48/59/854524859.db2.gz RFIABMIJAXHFHJ-UHFFFAOYSA-N 2 2 280.347 0.846 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC2(C1)CC[N@H+](CCCF)C2 ZINC001073079566 854524861 /nfs/dbraw/zinc/52/48/61/854524861.db2.gz RFIABMIJAXHFHJ-UHFFFAOYSA-N 2 2 280.347 0.846 20 0 CCADLP COC[C@H](C)[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001073485843 854563819 /nfs/dbraw/zinc/56/38/19/854563819.db2.gz CXMFLHHJTYFYOE-ZDUSSCGKSA-N 2 2 292.383 0.452 20 0 CCADLP COC[C@H](C)[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001073485843 854563827 /nfs/dbraw/zinc/56/38/27/854563827.db2.gz CXMFLHHJTYFYOE-ZDUSSCGKSA-N 2 2 292.383 0.452 20 0 CCADLP CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001074408058 854725784 /nfs/dbraw/zinc/72/57/84/854725784.db2.gz PKHYIWQYSXMKBM-UONOGXRCSA-N 2 2 281.400 0.404 20 0 CCADLP CC[N@H+]1CCO[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001074408058 854725793 /nfs/dbraw/zinc/72/57/93/854725793.db2.gz PKHYIWQYSXMKBM-UONOGXRCSA-N 2 2 281.400 0.404 20 0 CCADLP CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001074408059 854726256 /nfs/dbraw/zinc/72/62/56/854726256.db2.gz PKHYIWQYSXMKBM-ZIAGYGMSSA-N 2 2 281.400 0.404 20 0 CCADLP CC[N@H+]1CCO[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001074408059 854726263 /nfs/dbraw/zinc/72/62/63/854726263.db2.gz PKHYIWQYSXMKBM-ZIAGYGMSSA-N 2 2 281.400 0.404 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]([NH2+]CCO)[C@@H]1C ZINC001074954656 854802198 /nfs/dbraw/zinc/80/21/98/854802198.db2.gz GNCLVSDKITWDMA-GVXVVHGQSA-N 2 2 280.372 0.160 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]([NH2+]CCO)[C@@H]1C ZINC001074954656 854802203 /nfs/dbraw/zinc/80/22/03/854802203.db2.gz GNCLVSDKITWDMA-GVXVVHGQSA-N 2 2 280.372 0.160 20 0 CCADLP COCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001098217803 854852188 /nfs/dbraw/zinc/85/21/88/854852188.db2.gz KHGDTYMIFHSIEB-BNOWGMLFSA-N 2 2 292.383 0.331 20 0 CCADLP COCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001098217803 854852195 /nfs/dbraw/zinc/85/21/95/854852195.db2.gz KHGDTYMIFHSIEB-BNOWGMLFSA-N 2 2 292.383 0.331 20 0 CCADLP CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001098774134 854884283 /nfs/dbraw/zinc/88/42/83/854884283.db2.gz VMRSPHNGFOTECQ-GUTXKFCHSA-N 2 2 281.400 0.308 20 0 CCADLP CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001098774134 854884293 /nfs/dbraw/zinc/88/42/93/854884293.db2.gz VMRSPHNGFOTECQ-GUTXKFCHSA-N 2 2 281.400 0.308 20 0 CCADLP CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001098774134 854884296 /nfs/dbraw/zinc/88/42/96/854884296.db2.gz VMRSPHNGFOTECQ-GUTXKFCHSA-N 2 2 281.400 0.308 20 0 CCADLP CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001098774134 854884306 /nfs/dbraw/zinc/88/43/06/854884306.db2.gz VMRSPHNGFOTECQ-GUTXKFCHSA-N 2 2 281.400 0.308 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC[N@@H+](CC2CC2)C[C@@H]1O ZINC001099871989 855012688 /nfs/dbraw/zinc/01/26/88/855012688.db2.gz NEJAFAKCTJTKFW-KGLIPLIRSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC[N@H+](CC2CC2)C[C@@H]1O ZINC001099871989 855012697 /nfs/dbraw/zinc/01/26/97/855012697.db2.gz NEJAFAKCTJTKFW-KGLIPLIRSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CC[N@@H+](CC2CC2)C[C@@H]1O ZINC001099871989 855012703 /nfs/dbraw/zinc/01/27/03/855012703.db2.gz NEJAFAKCTJTKFW-KGLIPLIRSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CC[N@H+](CC2CC2)C[C@@H]1O ZINC001099871989 855012710 /nfs/dbraw/zinc/01/27/10/855012710.db2.gz NEJAFAKCTJTKFW-KGLIPLIRSA-N 2 2 292.383 0.304 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H](O)C1 ZINC001099929053 855034341 /nfs/dbraw/zinc/03/43/41/855034341.db2.gz RULLFIVAWZLKBY-CHWSQXEVSA-N 2 2 294.399 0.313 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H](O)C1 ZINC001099929053 855034352 /nfs/dbraw/zinc/03/43/52/855034352.db2.gz RULLFIVAWZLKBY-CHWSQXEVSA-N 2 2 294.399 0.313 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099940041 855039011 /nfs/dbraw/zinc/03/90/11/855039011.db2.gz PMTAMFPUFZMESH-CHWSQXEVSA-N 2 2 280.372 0.235 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099940041 855039017 /nfs/dbraw/zinc/03/90/17/855039017.db2.gz PMTAMFPUFZMESH-CHWSQXEVSA-N 2 2 280.372 0.235 20 0 CCADLP Cc1nc(N(C)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc[nH+]1 ZINC001100370393 855155573 /nfs/dbraw/zinc/15/55/73/855155573.db2.gz FTRFMWYWGORUHG-DGCLKSJQSA-N 2 2 291.399 0.678 20 0 CCADLP Cc1nc(N(C)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc[nH+]1 ZINC001100370393 855155580 /nfs/dbraw/zinc/15/55/80/855155580.db2.gz FTRFMWYWGORUHG-DGCLKSJQSA-N 2 2 291.399 0.678 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC1CC([NH2+]CCCO)C1 ZINC001100551337 855185195 /nfs/dbraw/zinc/18/51/95/855185195.db2.gz FOAJWBQEBUQCOF-UHFFFAOYSA-N 2 2 280.372 0.140 20 0 CCADLP CCOCC[NH2+]C1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001100710120 855213186 /nfs/dbraw/zinc/21/31/86/855213186.db2.gz CNSXPOFENUDTNH-UHFFFAOYSA-N 2 2 280.372 0.473 20 0 CCADLP Cc1nc(NCCN(C)C(=O)CC[NH+](C)C)cc[nH+]1 ZINC001101927324 855393083 /nfs/dbraw/zinc/39/30/83/855393083.db2.gz ZXFDHTHQWZFVII-UHFFFAOYSA-N 2 2 265.361 0.607 20 0 CCADLP Cc1nc(NC[C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001103973651 855556810 /nfs/dbraw/zinc/55/68/10/855556810.db2.gz JDJMRDMGLFXCCL-YPMHNXCESA-N 2 2 291.399 0.901 20 0 CCADLP Cc1nc(NC[C@@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001103973651 855556817 /nfs/dbraw/zinc/55/68/17/855556817.db2.gz JDJMRDMGLFXCCL-YPMHNXCESA-N 2 2 291.399 0.901 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+](C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001118261385 856230302 /nfs/dbraw/zinc/23/03/02/856230302.db2.gz SSJQJMAGAUXONQ-VXGBXAGGSA-N 2 2 260.403 0.353 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001118261385 856230308 /nfs/dbraw/zinc/23/03/08/856230308.db2.gz SSJQJMAGAUXONQ-VXGBXAGGSA-N 2 2 260.403 0.353 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC[C@@H]1[NH3+] ZINC001118790162 856444528 /nfs/dbraw/zinc/44/45/28/856444528.db2.gz OQFNEIKSCNOESP-WOPDTQHZSA-N 2 2 262.357 0.641 20 0 CCADLP O=C(N[C@@H]1CCn2c[nH+]cc2C1)C12CC[NH+](CC1)C2 ZINC001119654059 856817841 /nfs/dbraw/zinc/81/78/41/856817841.db2.gz OXUNXNWDVBDTMH-LLVKDONJSA-N 2 2 260.341 0.410 20 0 CCADLP Cc1ccc(NCCNC(=O)NC[C@H]2COCC[NH2+]2)[nH+]c1 ZINC001336931765 921111007 /nfs/dbraw/zinc/11/10/07/921111007.db2.gz BWDZHNJRGWBFLM-LBPRGKRZSA-N 2 2 293.371 0.090 20 0 CCADLP CC(C)=CC[N@@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001492817587 912325741 /nfs/dbraw/zinc/32/57/41/912325741.db2.gz UIUWLXWFTKBGOZ-UHFFFAOYSA-N 2 2 264.373 0.977 20 0 CCADLP CC(C)=CC[N@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001492817587 912325757 /nfs/dbraw/zinc/32/57/57/912325757.db2.gz UIUWLXWFTKBGOZ-UHFFFAOYSA-N 2 2 264.373 0.977 20 0 CCADLP CC[C@H](C(=O)N[C@]1(C)CC[N@H+](CC(N)=O)C1)[NH+](CC)CC ZINC001393108430 912399753 /nfs/dbraw/zinc/39/97/53/912399753.db2.gz AATSPELHORUGPB-IUODEOHRSA-N 2 2 298.431 0.173 20 0 CCADLP CC[C@H](C(=O)N[C@]1(C)CC[N@@H+](CC(N)=O)C1)[NH+](CC)CC ZINC001393108430 912399771 /nfs/dbraw/zinc/39/97/71/912399771.db2.gz AATSPELHORUGPB-IUODEOHRSA-N 2 2 298.431 0.173 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@@H]1COCC[NH+]1CCC1CC1 ZINC001393519219 912618465 /nfs/dbraw/zinc/61/84/65/912618465.db2.gz LYIQMPAZDHFUHF-OAHLLOKOSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1COCC[NH+]1CCC1CC1 ZINC001393519219 912618475 /nfs/dbraw/zinc/61/84/75/912618475.db2.gz LYIQMPAZDHFUHF-OAHLLOKOSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[NH+](C)CC(=O)NC[C@@H]1COCC[N@@H+]1CCC1CC1 ZINC001393519219 912618485 /nfs/dbraw/zinc/61/84/85/912618485.db2.gz LYIQMPAZDHFUHF-OAHLLOKOSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[NH+](C)CC(=O)NC[C@@H]1COCC[N@H+]1CCC1CC1 ZINC001393519219 912618495 /nfs/dbraw/zinc/61/84/95/912618495.db2.gz LYIQMPAZDHFUHF-OAHLLOKOSA-N 2 2 297.443 0.945 20 0 CCADLP CN(CCC[N@H+](C)Cc1cnon1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001393645970 912697181 /nfs/dbraw/zinc/69/71/81/912697181.db2.gz VQKRABJRRFQKDY-GFCCVEGCSA-N 2 2 295.387 0.302 20 0 CCADLP CN(CCC[N@@H+](C)Cc1cnon1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001393645970 912697189 /nfs/dbraw/zinc/69/71/89/912697189.db2.gz VQKRABJRRFQKDY-GFCCVEGCSA-N 2 2 295.387 0.302 20 0 CCADLP CN(CCC[NH+](C)Cc1cnon1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001393645970 912697198 /nfs/dbraw/zinc/69/71/98/912697198.db2.gz VQKRABJRRFQKDY-GFCCVEGCSA-N 2 2 295.387 0.302 20 0 CCADLP CN(CCC[NH+](C)Cc1cnon1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001393645970 912697202 /nfs/dbraw/zinc/69/72/02/912697202.db2.gz VQKRABJRRFQKDY-GFCCVEGCSA-N 2 2 295.387 0.302 20 0 CCADLP CCCC[NH+]1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001325307350 913330449 /nfs/dbraw/zinc/33/04/49/913330449.db2.gz CNIPMIOWQVKXEN-UHFFFAOYSA-N 2 2 269.389 0.045 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@H](CO)[NH2+]CC1CCC1 ZINC001394656210 913343905 /nfs/dbraw/zinc/34/39/05/913343905.db2.gz IWGREJZCEXLFIV-CYBMUJFWSA-N 2 2 294.399 0.220 20 0 CCADLP CCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001480875653 891501771 /nfs/dbraw/zinc/50/17/71/891501771.db2.gz LTTXDOPQQUNZBG-GHMZBOCLSA-N 2 2 250.346 0.971 20 0 CCADLP CCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001480875653 891501778 /nfs/dbraw/zinc/50/17/78/891501778.db2.gz LTTXDOPQQUNZBG-GHMZBOCLSA-N 2 2 250.346 0.971 20 0 CCADLP CCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001480875653 891501786 /nfs/dbraw/zinc/50/17/86/891501786.db2.gz LTTXDOPQQUNZBG-GHMZBOCLSA-N 2 2 250.346 0.971 20 0 CCADLP CCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001480875653 891501792 /nfs/dbraw/zinc/50/17/92/891501792.db2.gz LTTXDOPQQUNZBG-GHMZBOCLSA-N 2 2 250.346 0.971 20 0 CCADLP COCC[C@H]([NH3+])C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001349817929 891783033 /nfs/dbraw/zinc/78/30/33/891783033.db2.gz ZFDNEPUSCYRBKE-NSHDSACASA-N 2 2 266.345 0.480 20 0 CCADLP COCC[C@H]([NH3+])C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001349817929 891783035 /nfs/dbraw/zinc/78/30/35/891783035.db2.gz ZFDNEPUSCYRBKE-NSHDSACASA-N 2 2 266.345 0.480 20 0 CCADLP C[C@H]1C[C@@H](C[N@H+](C)CCNC(=O)Cc2c[nH]c[nH+]2)CCO1 ZINC001480918059 891803737 /nfs/dbraw/zinc/80/37/37/891803737.db2.gz VYGUBJAVJOWRJW-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H]1C[C@@H](C[N@@H+](C)CCNC(=O)Cc2c[nH]c[nH+]2)CCO1 ZINC001480918059 891803756 /nfs/dbraw/zinc/80/37/56/891803756.db2.gz VYGUBJAVJOWRJW-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP Cc1noc(C)c1C[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001480947467 891924876 /nfs/dbraw/zinc/92/48/76/891924876.db2.gz VTDOVNKNPPCULH-UHFFFAOYSA-N 2 2 294.399 0.935 20 0 CCADLP Cc1noc(C)c1C[N@@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001480947467 891924887 /nfs/dbraw/zinc/92/48/87/891924887.db2.gz VTDOVNKNPPCULH-UHFFFAOYSA-N 2 2 294.399 0.935 20 0 CCADLP CO[C@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001481066100 892126508 /nfs/dbraw/zinc/12/65/08/892126508.db2.gz QXAHWLKWBUYYDN-CHWSQXEVSA-N 2 2 294.399 0.578 20 0 CCADLP CO[C@H](C)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001481066100 892126523 /nfs/dbraw/zinc/12/65/23/892126523.db2.gz QXAHWLKWBUYYDN-CHWSQXEVSA-N 2 2 294.399 0.578 20 0 CCADLP CN(CC[NH2+]Cc1ncccn1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001481301716 892551307 /nfs/dbraw/zinc/55/13/07/892551307.db2.gz BDYCHNUNEYEKEZ-CYBMUJFWSA-N 2 2 291.399 0.366 20 0 CCADLP CN(CC[NH2+]Cc1ncccn1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001481301716 892551311 /nfs/dbraw/zinc/55/13/11/892551311.db2.gz BDYCHNUNEYEKEZ-CYBMUJFWSA-N 2 2 291.399 0.366 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1CC[NH2+]CCO ZINC001496417591 892747955 /nfs/dbraw/zinc/74/79/55/892747955.db2.gz AYNVNWFEHSYSQN-ZDUSSCGKSA-N 2 2 294.399 0.614 20 0 CCADLP CCOCCC[NH+]1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001481566506 892842651 /nfs/dbraw/zinc/84/26/51/892842651.db2.gz NNIQOGZUCAHALU-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP CCOCCC[NH+]1CC(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001481566506 892842664 /nfs/dbraw/zinc/84/26/64/892842664.db2.gz NNIQOGZUCAHALU-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@@H]([NH2+]CCO)[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001496449565 892926974 /nfs/dbraw/zinc/92/69/74/892926974.db2.gz XTPBGGJDHMFSBT-CHWSQXEVSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H]([NH2+]CCO)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001496449565 892926987 /nfs/dbraw/zinc/92/69/87/892926987.db2.gz XTPBGGJDHMFSBT-CHWSQXEVSA-N 2 2 294.399 0.551 20 0 CCADLP CCN(C(=O)C[C@H](C)n1cc[nH+]c1)[C@H]1CC[N@H+](CCO)C1 ZINC001481775744 893138293 /nfs/dbraw/zinc/13/82/93/893138293.db2.gz PJCRZSOQZHDWCC-KBPBESRZSA-N 2 2 294.399 0.749 20 0 CCADLP CCN(C(=O)C[C@H](C)n1cc[nH+]c1)[C@H]1CC[N@@H+](CCO)C1 ZINC001481775744 893138302 /nfs/dbraw/zinc/13/83/02/893138302.db2.gz PJCRZSOQZHDWCC-KBPBESRZSA-N 2 2 294.399 0.749 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)C[NH2+]Cc1cnon1 ZINC001482124442 893413315 /nfs/dbraw/zinc/41/33/15/893413315.db2.gz YSVNZYKLHNFPOJ-JTQLQIEISA-N 2 2 292.343 0.117 20 0 CCADLP Cc1ncoc1C[NH2+]C[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001482146021 893437472 /nfs/dbraw/zinc/43/74/72/893437472.db2.gz ZWPXBZBRZJZJAE-SNVBAGLBSA-N 2 2 291.355 0.791 20 0 CCADLP C[C@@H](CC[NH+](C)C)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC001362035476 893498923 /nfs/dbraw/zinc/49/89/23/893498923.db2.gz NLKQELKHAFEQPC-LSDHHAIUSA-N 2 2 297.443 0.897 20 0 CCADLP C[C@H](C[NH2+]CCCO)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001482338709 893887570 /nfs/dbraw/zinc/88/75/70/893887570.db2.gz PDMIYBXYGJKUQQ-CHWSQXEVSA-N 2 2 282.388 0.653 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H](O)C[NH2+]CC1CCCCC1 ZINC001482798401 894607918 /nfs/dbraw/zinc/60/79/18/894607918.db2.gz CXLJXFUJQXEEAJ-CQSZACIVSA-N 2 2 294.399 0.530 20 0 CCADLP CCN(CC[NH2+]C[C@@H]1CCCCO1)C(=O)Cn1cc[nH+]c1 ZINC001482972392 894737552 /nfs/dbraw/zinc/73/75/52/894737552.db2.gz XOJCFSWKADPGBB-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC/C=C\C[NH2+]Cc1ccccn1 ZINC001483100529 894901664 /nfs/dbraw/zinc/90/16/64/894901664.db2.gz IMDJUTMUGJGMPP-ARJAWSKDSA-N 2 2 285.351 0.740 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)Cc1cncn1C ZINC001409520056 895227878 /nfs/dbraw/zinc/22/78/78/895227878.db2.gz RJRAJIJQJISEMY-JSGCOSHPSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)Cc1cncn1C ZINC001409520056 895227892 /nfs/dbraw/zinc/22/78/92/895227892.db2.gz RJRAJIJQJISEMY-JSGCOSHPSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@H+](C)Cc1cncn1C ZINC001409520056 895227905 /nfs/dbraw/zinc/22/79/05/895227905.db2.gz RJRAJIJQJISEMY-JSGCOSHPSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@@H+](C)Cc1cncn1C ZINC001409520056 895227918 /nfs/dbraw/zinc/22/79/18/895227918.db2.gz RJRAJIJQJISEMY-JSGCOSHPSA-N 2 2 293.415 0.451 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC1(CCO)C[NH+](CC2CC2)C1 ZINC001409729130 895352461 /nfs/dbraw/zinc/35/24/61/895352461.db2.gz MOPLUKOXMJZDGV-CQSZACIVSA-N 2 2 295.427 0.434 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)NC1(CCO)C[NH+](CC2CC2)C1 ZINC001409729130 895352480 /nfs/dbraw/zinc/35/24/80/895352480.db2.gz MOPLUKOXMJZDGV-CQSZACIVSA-N 2 2 295.427 0.434 20 0 CCADLP CC(C)[NH+]1CC(CCO)(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001409750933 895359776 /nfs/dbraw/zinc/35/97/76/895359776.db2.gz KXLMHWYNBADVNK-ZIAGYGMSSA-N 2 2 297.443 0.821 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)C[C@@H](C)O)c[nH+]1 ZINC001483354228 895492023 /nfs/dbraw/zinc/49/20/23/895492023.db2.gz YSJHGNFDAAOMMH-QWHCGFSZSA-N 2 2 296.415 0.744 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[N@H+](C)C[C@@H](C)O)c[nH+]1 ZINC001483354228 895492029 /nfs/dbraw/zinc/49/20/29/895492029.db2.gz YSJHGNFDAAOMMH-QWHCGFSZSA-N 2 2 296.415 0.744 20 0 CCADLP C[C@@H](C[N@H+](C)C[C@@H]1CCOC1)NC(=O)Cn1cc[nH+]c1 ZINC001483427460 895559198 /nfs/dbraw/zinc/55/91/98/895559198.db2.gz NDCCDJNWRTUDEN-STQMWFEESA-N 2 2 280.372 0.356 20 0 CCADLP C[C@@H](C[N@@H+](C)C[C@@H]1CCOC1)NC(=O)Cn1cc[nH+]c1 ZINC001483427460 895559213 /nfs/dbraw/zinc/55/92/13/895559213.db2.gz NDCCDJNWRTUDEN-STQMWFEESA-N 2 2 280.372 0.356 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001397144946 914064024 /nfs/dbraw/zinc/06/40/24/914064024.db2.gz MDDIVPWOTVMKPL-AVGNSLFASA-N 2 2 294.399 0.218 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001365801665 896472507 /nfs/dbraw/zinc/47/25/07/896472507.db2.gz JCUYWUMKLSDMHA-STQMWFEESA-N 2 2 280.372 0.451 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001365801665 896472514 /nfs/dbraw/zinc/47/25/14/896472514.db2.gz JCUYWUMKLSDMHA-STQMWFEESA-N 2 2 280.372 0.451 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCF)C1 ZINC001484614779 896497070 /nfs/dbraw/zinc/49/70/70/896497070.db2.gz ABPYWGFWVMHBDQ-OLZOCXBDSA-N 2 2 287.379 0.257 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCF)C1 ZINC001484614779 896497073 /nfs/dbraw/zinc/49/70/73/896497073.db2.gz ABPYWGFWVMHBDQ-OLZOCXBDSA-N 2 2 287.379 0.257 20 0 CCADLP C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1[NH2+]CCCO ZINC001484896506 896658819 /nfs/dbraw/zinc/65/88/19/896658819.db2.gz XFEVZGHLPJUJKO-QWHCGFSZSA-N 2 2 294.399 0.172 20 0 CCADLP CC(C)OCC[NH2+][C@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001485233233 896879607 /nfs/dbraw/zinc/87/96/07/896879607.db2.gz CQQREENVWTWHLD-OLZOCXBDSA-N 2 2 282.388 0.791 20 0 CCADLP COCC[N@H+](C)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001485365516 896993883 /nfs/dbraw/zinc/99/38/83/896993883.db2.gz MTDHRCHLWMVNCZ-SNVBAGLBSA-N 2 2 254.334 0.035 20 0 CCADLP COCC[N@@H+](C)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001485365516 896993894 /nfs/dbraw/zinc/99/38/94/896993894.db2.gz MTDHRCHLWMVNCZ-SNVBAGLBSA-N 2 2 254.334 0.035 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001494055359 897188436 /nfs/dbraw/zinc/18/84/36/897188436.db2.gz GNQHLLHGTXXORG-RYUDHWBXSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001494055359 897188438 /nfs/dbraw/zinc/18/84/38/897188438.db2.gz GNQHLLHGTXXORG-RYUDHWBXSA-N 2 2 280.372 0.161 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001485692508 897190951 /nfs/dbraw/zinc/19/09/51/897190951.db2.gz QSZYWBBNABPVOB-MGPQQGTHSA-N 2 2 294.399 0.793 20 0 CCADLP CCOCC[NH2+][C@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001485938289 898526211 /nfs/dbraw/zinc/52/62/11/898526211.db2.gz OGKKQRBUHWPBCY-LLVKDONJSA-N 2 2 268.361 0.425 20 0 CCADLP CCOCC[NH2+][C@@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001485938291 898526564 /nfs/dbraw/zinc/52/65/64/898526564.db2.gz OGKKQRBUHWPBCY-NSHDSACASA-N 2 2 268.361 0.425 20 0 CCADLP CCOCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@@H]1C ZINC001486093135 898650443 /nfs/dbraw/zinc/65/04/43/898650443.db2.gz USPRCZSHRKUPKY-CHWSQXEVSA-N 2 2 294.399 0.876 20 0 CCADLP CO[C@@H](C)C[NH2+]CCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001493600760 898932530 /nfs/dbraw/zinc/93/25/30/898932530.db2.gz KTKYZDXGCIPXIQ-QWHCGFSZSA-N 2 2 294.399 0.528 20 0 CCADLP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2cnon2)C[C@H]1C ZINC001410883921 899616123 /nfs/dbraw/zinc/61/61/23/899616123.db2.gz OGRGQWGAQDLBHS-VXGBXAGGSA-N 2 2 295.387 0.490 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2cnon2)C[C@H]1C ZINC001410883921 899616127 /nfs/dbraw/zinc/61/61/27/899616127.db2.gz OGRGQWGAQDLBHS-VXGBXAGGSA-N 2 2 295.387 0.490 20 0 CCADLP CC[N@H+](C)C[C@H](O)CN(C)C(=O)CCCn1cc[nH+]c1 ZINC001411188426 899722767 /nfs/dbraw/zinc/72/27/67/899722767.db2.gz NQFNPQUIOUKQSP-ZDUSSCGKSA-N 2 2 282.388 0.434 20 0 CCADLP CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CCCn1cc[nH+]c1 ZINC001411188426 899722776 /nfs/dbraw/zinc/72/27/76/899722776.db2.gz NQFNPQUIOUKQSP-ZDUSSCGKSA-N 2 2 282.388 0.434 20 0 CCADLP CC[C@H](C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1)OC ZINC001134397523 899833936 /nfs/dbraw/zinc/83/39/36/899833936.db2.gz PUUOPRMTQUQWJB-LLVKDONJSA-N 2 2 254.334 0.083 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1C[C@@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001488778450 900375834 /nfs/dbraw/zinc/37/58/34/900375834.db2.gz BQKGCKNHAJLZJG-RWMBFGLXSA-N 2 2 292.383 0.473 20 0 CCADLP C[N@H+](CCCF)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001490255221 900581473 /nfs/dbraw/zinc/58/14/73/900581473.db2.gz IVJHZCRRCUYINZ-UHFFFAOYSA-N 2 2 256.325 0.750 20 0 CCADLP C[N@@H+](CCCF)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001490255221 900581484 /nfs/dbraw/zinc/58/14/84/900581484.db2.gz IVJHZCRRCUYINZ-UHFFFAOYSA-N 2 2 256.325 0.750 20 0 CCADLP CC[N@H+](CCO)CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001490356233 900616645 /nfs/dbraw/zinc/61/66/45/900616645.db2.gz CQOCUQQTLWZRHS-UHFFFAOYSA-N 2 2 268.361 0.081 20 0 CCADLP CC[N@@H+](CCO)CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001490356233 900616649 /nfs/dbraw/zinc/61/66/49/900616649.db2.gz CQOCUQQTLWZRHS-UHFFFAOYSA-N 2 2 268.361 0.081 20 0 CCADLP CO[C@@H](C)C[NH2+]C/C=C\CNC(=O)Cn1cc[nH+]c1 ZINC001274632416 900937688 /nfs/dbraw/zinc/93/76/88/900937688.db2.gz UHKRTDIWLUNVIN-MVZIDQBPSA-N 2 2 266.345 0.180 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001321013747 900962927 /nfs/dbraw/zinc/96/29/27/900962927.db2.gz HQYMSZNCMVRDSA-GFCCVEGCSA-N 2 2 264.373 0.763 20 0 CCADLP C[C@]([NH2+]C[C@@H]1CCC[NH2+]C1)(C(N)=O)c1ccccc1 ZINC001327538040 914601094 /nfs/dbraw/zinc/60/10/94/914601094.db2.gz NZEVUPFTGICOBK-IUODEOHRSA-N 2 2 261.369 0.976 20 0 CCADLP Cc1nc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)no1 ZINC001398550414 914697185 /nfs/dbraw/zinc/69/71/85/914697185.db2.gz ALHFSJSHPUBDAL-DLOVCJGASA-N 2 2 295.387 0.628 20 0 CCADLP CCC[NH2+][C@H]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001491040934 903303052 /nfs/dbraw/zinc/30/30/52/903303052.db2.gz XPUFBOHXLACDTJ-TXEJJXNPSA-N 2 2 264.373 1.000 20 0 CCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC[C@@H]1C[NH2+]CCF ZINC001495567806 903315005 /nfs/dbraw/zinc/31/50/05/903315005.db2.gz YNDGQSRXQWMMGY-QWHCGFSZSA-N 2 2 294.374 0.996 20 0 CCADLP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001491070223 903331750 /nfs/dbraw/zinc/33/17/50/903331750.db2.gz RRWYYMDLVLPEGC-UTUOFQBUSA-N 2 2 282.363 0.948 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1csnn1 ZINC001491416102 903564760 /nfs/dbraw/zinc/56/47/60/903564760.db2.gz XHKBUWOZVSNHNF-ONGXEEELSA-N 2 2 283.401 0.227 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1csnn1 ZINC001491416102 903564764 /nfs/dbraw/zinc/56/47/64/903564764.db2.gz XHKBUWOZVSNHNF-ONGXEEELSA-N 2 2 283.401 0.227 20 0 CCADLP C[C@@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)[NH2+]CCCO ZINC001491464319 903607043 /nfs/dbraw/zinc/60/70/43/903607043.db2.gz ZTZYQNILLOZDBC-LBPRGKRZSA-N 2 2 294.399 0.239 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001216387633 903858778 /nfs/dbraw/zinc/85/87/78/903858778.db2.gz JOZCDAGWDDAKIB-YRGRVCCFSA-N 2 2 294.399 0.434 20 0 CCADLP CC(C)(C(=O)N1CCO[C@H](C[NH2+]CCF)C1)c1c[nH+]c[nH]1 ZINC001280658224 904133658 /nfs/dbraw/zinc/13/36/58/904133658.db2.gz AYTKCOIYANSLFO-LLVKDONJSA-N 2 2 298.362 0.474 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC1(C[NH2+]CCF)CCOCC1 ZINC001281279937 904258523 /nfs/dbraw/zinc/25/85/23/904258523.db2.gz IGKTVTNVOSADEN-UHFFFAOYSA-N 2 2 284.335 0.177 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)CCCF ZINC001282478214 904485908 /nfs/dbraw/zinc/48/59/08/904485908.db2.gz NIBXIJGTEHZUFK-JTQLQIEISA-N 2 2 256.325 0.748 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)CCCF ZINC001282478214 904485914 /nfs/dbraw/zinc/48/59/14/904485914.db2.gz NIBXIJGTEHZUFK-JTQLQIEISA-N 2 2 256.325 0.748 20 0 CCADLP CC(C)[N@H+](C)CCOCCNC(=O)Cn1cc[nH+]c1 ZINC001283422946 904843831 /nfs/dbraw/zinc/84/38/31/904843831.db2.gz CLBHWKCWWZQGQG-UHFFFAOYSA-N 2 2 268.361 0.356 20 0 CCADLP CC(C)[N@@H+](C)CCOCCNC(=O)Cn1cc[nH+]c1 ZINC001283422946 904843845 /nfs/dbraw/zinc/84/38/45/904843845.db2.gz CLBHWKCWWZQGQG-UHFFFAOYSA-N 2 2 268.361 0.356 20 0 CCADLP C[C@@H](CN(C)C(=O)CCc1c[nH]c[nH+]1)[NH2+]CCF ZINC001283623019 904933891 /nfs/dbraw/zinc/93/38/91/904933891.db2.gz SVNJCXVTMQEHQK-JTQLQIEISA-N 2 2 256.325 0.748 20 0 CCADLP C[C@@H](CN(C)C(=O)CCc1c[nH+]c[nH]1)[NH2+]CCF ZINC001283623019 904933899 /nfs/dbraw/zinc/93/38/99/904933899.db2.gz SVNJCXVTMQEHQK-JTQLQIEISA-N 2 2 256.325 0.748 20 0 CCADLP C[C@@H](O)C[N@H+](CCNC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC001377529933 904973416 /nfs/dbraw/zinc/97/34/16/904973416.db2.gz UBGSYMKDVPVHLG-LLVKDONJSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H](O)C[N@@H+](CCNC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC001377529933 904973423 /nfs/dbraw/zinc/97/34/23/904973423.db2.gz UBGSYMKDVPVHLG-LLVKDONJSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H](O)C[N@H+](CCNC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC001377529933 904973430 /nfs/dbraw/zinc/97/34/30/904973430.db2.gz UBGSYMKDVPVHLG-LLVKDONJSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H](O)C[N@@H+](CCNC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC001377529933 904973438 /nfs/dbraw/zinc/97/34/38/904973438.db2.gz UBGSYMKDVPVHLG-LLVKDONJSA-N 2 2 280.372 0.304 20 0 CCADLP COC[C@H](C)[N@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001377571741 905008118 /nfs/dbraw/zinc/00/81/18/905008118.db2.gz TURHNPBVNXTGPV-NSHDSACASA-N 2 2 294.399 0.876 20 0 CCADLP COC[C@H](C)[N@@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001377571741 905008139 /nfs/dbraw/zinc/00/81/39/905008139.db2.gz TURHNPBVNXTGPV-NSHDSACASA-N 2 2 294.399 0.876 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001377635642 905059931 /nfs/dbraw/zinc/05/99/31/905059931.db2.gz SROASSQHTWLPAQ-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001377635642 905059949 /nfs/dbraw/zinc/05/99/49/905059949.db2.gz SROASSQHTWLPAQ-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001377635642 905059969 /nfs/dbraw/zinc/05/99/69/905059969.db2.gz SROASSQHTWLPAQ-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001377635642 905059985 /nfs/dbraw/zinc/05/99/85/905059985.db2.gz SROASSQHTWLPAQ-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@@H](O)CCC[NH+]1CC(NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001377899718 905231444 /nfs/dbraw/zinc/23/14/44/905231444.db2.gz VJPVMVKPZCRRKF-TZMCWYRMSA-N 2 2 283.416 0.432 20 0 CCADLP C[C@@H](O)CCC[NH+]1CC(NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001377899718 905231458 /nfs/dbraw/zinc/23/14/58/905231458.db2.gz VJPVMVKPZCRRKF-TZMCWYRMSA-N 2 2 283.416 0.432 20 0 CCADLP CC[N@H+](C)CCC(=O)NC1C[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC001377931137 905254905 /nfs/dbraw/zinc/25/49/05/905254905.db2.gz VMYZKKODQRFEPD-CQSZACIVSA-N 2 2 297.443 0.944 20 0 CCADLP CC[N@@H+](C)CCC(=O)NC1C[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC001377931137 905254921 /nfs/dbraw/zinc/25/49/21/905254921.db2.gz VMYZKKODQRFEPD-CQSZACIVSA-N 2 2 297.443 0.944 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC001378059806 905395705 /nfs/dbraw/zinc/39/57/05/905395705.db2.gz OUGJLJCKVZIJDV-OCCSQVGLSA-N 2 2 292.383 0.569 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001378059806 905395723 /nfs/dbraw/zinc/39/57/23/905395723.db2.gz OUGJLJCKVZIJDV-OCCSQVGLSA-N 2 2 292.383 0.569 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC001378059806 905395741 /nfs/dbraw/zinc/39/57/41/905395741.db2.gz OUGJLJCKVZIJDV-OCCSQVGLSA-N 2 2 292.383 0.569 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001378059806 905395759 /nfs/dbraw/zinc/39/57/59/905395759.db2.gz OUGJLJCKVZIJDV-OCCSQVGLSA-N 2 2 292.383 0.569 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[N@H+](C)CCCF ZINC001378182125 905478884 /nfs/dbraw/zinc/47/88/84/905478884.db2.gz GJNASOOJQWPLAP-NSHDSACASA-N 2 2 270.352 0.759 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[N@@H+](C)CCCF ZINC001378182125 905478890 /nfs/dbraw/zinc/47/88/90/905478890.db2.gz GJNASOOJQWPLAP-NSHDSACASA-N 2 2 270.352 0.759 20 0 CCADLP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1nncs1 ZINC001378296947 905570581 /nfs/dbraw/zinc/57/05/81/905570581.db2.gz HUAKXHVTWKBZMF-GHMZBOCLSA-N 2 2 297.428 0.617 20 0 CCADLP CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1nncs1 ZINC001378296947 905570596 /nfs/dbraw/zinc/57/05/96/905570596.db2.gz HUAKXHVTWKBZMF-GHMZBOCLSA-N 2 2 297.428 0.617 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@H](C)N(C)C(=O)CCn1cc[nH+]c1 ZINC001378808961 905826662 /nfs/dbraw/zinc/82/66/62/905826662.db2.gz XINOXRLHLIXOPL-STQMWFEESA-N 2 2 282.388 0.745 20 0 CCADLP C[C@H]([NH2+]CCO)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001378909787 905880596 /nfs/dbraw/zinc/88/05/96/905880596.db2.gz HRFZDMPHXJHIGC-RYUDHWBXSA-N 2 2 280.372 0.161 20 0 CCADLP CC(C)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001379208809 906066877 /nfs/dbraw/zinc/06/68/77/906066877.db2.gz RAMYEBFNIXVMRO-GXTWGEPZSA-N 2 2 294.399 0.168 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnsn1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001379549840 906342359 /nfs/dbraw/zinc/34/23/59/906342359.db2.gz FYEGKZZXZOOAAD-QWRGUYRKSA-N 2 2 297.428 0.474 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnsn1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001379549840 906342375 /nfs/dbraw/zinc/34/23/75/906342375.db2.gz FYEGKZZXZOOAAD-QWRGUYRKSA-N 2 2 297.428 0.474 20 0 CCADLP O=S1(=O)CCC[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC001334858877 906464988 /nfs/dbraw/zinc/46/49/88/906464988.db2.gz KOXRPXOJINTNPS-WDEREUQCSA-N 2 2 269.370 0.365 20 0 CCADLP C[C@@H](C[N@H+](C)CC[C@H]1CCOC1)NC(=O)Cn1cc[nH+]c1 ZINC001379812351 906489659 /nfs/dbraw/zinc/48/96/59/906489659.db2.gz XIUZHNHWQDOOST-KBPBESRZSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@@H](C[N@@H+](C)CC[C@H]1CCOC1)NC(=O)Cn1cc[nH+]c1 ZINC001379812351 906489671 /nfs/dbraw/zinc/48/96/71/906489671.db2.gz XIUZHNHWQDOOST-KBPBESRZSA-N 2 2 294.399 0.746 20 0 CCADLP CC(C)[C@@H](C(=O)NC1(CCO)C[NH+](C(C)C)C1)[NH+](C)C ZINC001381731457 907376589 /nfs/dbraw/zinc/37/65/89/907376589.db2.gz APEDOIKNKVMTNW-ZDUSSCGKSA-N 2 2 285.432 0.534 20 0 CCADLP CCc1noc(C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C(C)C)n1 ZINC001491682910 907500637 /nfs/dbraw/zinc/50/06/37/907500637.db2.gz QKOSELYTWCABAS-LLVKDONJSA-N 2 2 297.403 0.567 20 0 CCADLP CCc1noc(C[NH2+][C@H](C)CNC(=O)C[N@@H+](C)C(C)C)n1 ZINC001491682910 907500654 /nfs/dbraw/zinc/50/06/54/907500654.db2.gz QKOSELYTWCABAS-LLVKDONJSA-N 2 2 297.403 0.567 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cnns1 ZINC001491694179 907508903 /nfs/dbraw/zinc/50/89/03/907508903.db2.gz NRWBVIIDEAWWPU-SECBINFHSA-N 2 2 280.357 0.029 20 0 CCADLP C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1cnon1 ZINC001382118671 907556999 /nfs/dbraw/zinc/55/69/99/907556999.db2.gz IUSMOGWKRJKZBL-NWDGAFQWSA-N 2 2 295.387 0.348 20 0 CCADLP C[C@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1cnon1 ZINC001382118671 907557012 /nfs/dbraw/zinc/55/70/12/907557012.db2.gz IUSMOGWKRJKZBL-NWDGAFQWSA-N 2 2 295.387 0.348 20 0 CCADLP COCC[NH2+]C[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001491839263 907597646 /nfs/dbraw/zinc/59/76/46/907597646.db2.gz VKTPEXBWUJXZJU-KGLIPLIRSA-N 2 2 294.399 0.919 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001491858941 907608598 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C[N@@H+]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)C(C)(C)C1 ZINC001303990300 908132137 /nfs/dbraw/zinc/13/21/37/908132137.db2.gz WATAFAYHEFRXCW-JTQLQIEISA-N 2 2 250.346 0.799 20 0 CCADLP C[N@H+]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)C(C)(C)C1 ZINC001303990300 908132145 /nfs/dbraw/zinc/13/21/45/908132145.db2.gz WATAFAYHEFRXCW-JTQLQIEISA-N 2 2 250.346 0.799 20 0 CCADLP Cc1cc(N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)nc(N)[nH+]1 ZINC001338083897 908203726 /nfs/dbraw/zinc/20/37/26/908203726.db2.gz LBKQYXZYFCYUJV-QWRGUYRKSA-N 2 2 264.377 0.413 20 0 CCADLP Cc1cc(N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)nc(N)[nH+]1 ZINC001338083897 908203734 /nfs/dbraw/zinc/20/37/34/908203734.db2.gz LBKQYXZYFCYUJV-QWRGUYRKSA-N 2 2 264.377 0.413 20 0 CCADLP C[NH+]1C[C@]2(C)C[NH+](CCNC(=O)C3CC3)C[C@@]2(C)C1 ZINC001307977467 908364803 /nfs/dbraw/zinc/36/48/03/908364803.db2.gz CMLSBFVNIOIUQS-HUUCEWRRSA-N 2 2 265.401 0.786 20 0 CCADLP C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H](C[NH2+]CCO)C1 ZINC001316710293 908563039 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C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001417653393 921500528 /nfs/dbraw/zinc/50/05/28/921500528.db2.gz SGYZDSLELCFPFD-CHWSQXEVSA-N 2 2 276.384 0.904 20 0 CCADLP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001417653393 921500551 /nfs/dbraw/zinc/50/05/51/921500551.db2.gz SGYZDSLELCFPFD-CHWSQXEVSA-N 2 2 276.384 0.904 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCc1c[nH+]cn1C ZINC001388662025 909539909 /nfs/dbraw/zinc/53/99/09/909539909.db2.gz YMOHFDVHUPRVMN-OCCSQVGLSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)CCc1c[nH+]cn1C ZINC001388662025 909539917 /nfs/dbraw/zinc/53/99/17/909539917.db2.gz YMOHFDVHUPRVMN-OCCSQVGLSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@H](C(=O)NC[C@H](C1CC1)[NH+](C)C)n1cc[nH+]c1 ZINC001317997942 909562886 /nfs/dbraw/zinc/56/28/86/909562886.db2.gz BYZNWEWNCVMCTK-ZYHUDNBSSA-N 2 2 250.346 0.901 20 0 CCADLP C[C@@H](C(=O)NC[C@@H](C1CC1)[NH+](C)C)n1cc[nH+]c1 ZINC001317997938 909564068 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COCC[N@H+](C)CCN(C)C(=O)CCn1cc[nH+]c1 ZINC001320029150 910424109 /nfs/dbraw/zinc/42/41/09/910424109.db2.gz QNEWQRSDGKNMQA-UHFFFAOYSA-N 2 2 268.361 0.310 20 0 CCADLP COCC[N@@H+](C)CCN(C)C(=O)CCn1cc[nH+]c1 ZINC001320029150 910424124 /nfs/dbraw/zinc/42/41/24/910424124.db2.gz QNEWQRSDGKNMQA-UHFFFAOYSA-N 2 2 268.361 0.310 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[C@@H]1C[NH2+]CCF ZINC001320190089 910502329 /nfs/dbraw/zinc/50/23/29/910502329.db2.gz UCQCMPUUBBAKHC-NEPJUHHUSA-N 2 2 268.336 0.727 20 0 CCADLP COc1cc(C[NH2+][C@H](C)CNC(=O)Cn2cc[nH+]c2)on1 ZINC001390538316 910502966 /nfs/dbraw/zinc/50/29/66/910502966.db2.gz ATMWVTJVOXOMQS-SNVBAGLBSA-N 2 2 293.327 0.174 20 0 CCADLP Cc1cc(C[NH2+][C@H](C)CNC(=O)Cn2cc[nH+]c2)sn1 ZINC001390543906 910503096 /nfs/dbraw/zinc/50/30/96/910503096.db2.gz MWOBUMLIAMXZTO-LLVKDONJSA-N 2 2 293.396 0.943 20 0 CCADLP C[C@@H](C(=O)NCCOCC[NH+](C)C)n1cc[nH+]c1 ZINC001320377927 910642803 /nfs/dbraw/zinc/64/28/03/910642803.db2.gz QLYFSIFNDADJQZ-NSHDSACASA-N 2 2 254.334 0.139 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001390761978 910657244 /nfs/dbraw/zinc/65/72/44/910657244.db2.gz AWDHNTQKUWJCGJ-UHFFFAOYSA-N 2 2 298.431 0.043 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001390761978 910657255 /nfs/dbraw/zinc/65/72/55/910657255.db2.gz AWDHNTQKUWJCGJ-UHFFFAOYSA-N 2 2 298.431 0.043 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001417849422 921637564 /nfs/dbraw/zinc/63/75/64/921637564.db2.gz LZYODKDUBDKXKI-UPJWGTAASA-N 2 2 294.399 0.313 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001417849422 921637571 /nfs/dbraw/zinc/63/75/71/921637571.db2.gz LZYODKDUBDKXKI-UPJWGTAASA-N 2 2 294.399 0.313 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC1C[NH+](CCC2CC2)C1 ZINC001391513805 911192998 /nfs/dbraw/zinc/19/29/98/911192998.db2.gz WWBWVZSIIJFCPY-UHFFFAOYSA-N 2 2 276.384 0.811 20 0 CCADLP CC(C)C[NH2+]C/C=C/CNC(=O)Cc1c[nH+]cn1C ZINC001321340689 911244358 /nfs/dbraw/zinc/24/43/58/911244358.db2.gz YFJNJJRUSYBXNL-SNAWJCMRSA-N 2 2 264.373 0.881 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N(C)[C@@H](C)C[NH2+]C[C@H](C)O ZINC001392072751 911560518 /nfs/dbraw/zinc/56/05/18/911560518.db2.gz GEYNHXWFUAOAJD-RYUDHWBXSA-N 2 2 295.383 0.450 20 0 CCADLP C[C@H](F)CC[NH2+]C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001322002807 911617447 /nfs/dbraw/zinc/61/74/47/911617447.db2.gz OCXDUXRPVJNTSG-UWVGGRQHSA-N 2 2 256.325 0.795 20 0 CCADLP C[C@@H](C[NH2+]CCC[C@@H]1CCOC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001322032419 911628908 /nfs/dbraw/zinc/62/89/08/911628908.db2.gz IHDLZUNLJFZMBS-QWHCGFSZSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@@H](C[NH2+]Cc1ccccn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001392553035 911929143 /nfs/dbraw/zinc/92/91/43/911929143.db2.gz LORRBGAKRINJFY-GXTWGEPZSA-N 2 2 292.383 0.007 20 0 CCADLP C[C@@H](C[NH2+]Cc1ccccn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001392553035 911929159 /nfs/dbraw/zinc/92/91/59/911929159.db2.gz LORRBGAKRINJFY-GXTWGEPZSA-N 2 2 292.383 0.007 20 0 CCADLP Cc1conc1C[NH2+]C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001392581632 911956195 /nfs/dbraw/zinc/95/61/95/911956195.db2.gz ZQKPOAVXVYIGAR-NSHDSACASA-N 2 2 291.355 0.782 20 0 CCADLP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccn(C)n2)C1 ZINC001417945408 921724518 /nfs/dbraw/zinc/72/45/18/921724518.db2.gz XOQSGDLGGXLOTJ-ZDUSSCGKSA-N 2 2 293.415 0.452 20 0 CCADLP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccn(C)n2)C1 ZINC001417945408 921724525 /nfs/dbraw/zinc/72/45/25/921724525.db2.gz XOQSGDLGGXLOTJ-ZDUSSCGKSA-N 2 2 293.415 0.452 20 0 CCADLP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC001417945408 921724533 /nfs/dbraw/zinc/72/45/33/921724533.db2.gz XOQSGDLGGXLOTJ-ZDUSSCGKSA-N 2 2 293.415 0.452 20 0 CCADLP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001417945408 921724541 /nfs/dbraw/zinc/72/45/41/921724541.db2.gz XOQSGDLGGXLOTJ-ZDUSSCGKSA-N 2 2 293.415 0.452 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001392854753 912204671 /nfs/dbraw/zinc/20/46/71/912204671.db2.gz KNMGLBNWOXVLGV-OLZOCXBDSA-N 2 2 280.372 0.499 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001392854753 912204692 /nfs/dbraw/zinc/20/46/92/912204692.db2.gz KNMGLBNWOXVLGV-OLZOCXBDSA-N 2 2 280.372 0.499 20 0 CCADLP Cc1nonc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001398950684 914971069 /nfs/dbraw/zinc/97/10/69/914971069.db2.gz JFJDHOPPBROWNI-MFKMUULPSA-N 2 2 295.387 0.457 20 0 CCADLP Cc1nonc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001398950684 914971073 /nfs/dbraw/zinc/97/10/73/914971073.db2.gz JFJDHOPPBROWNI-MFKMUULPSA-N 2 2 295.387 0.457 20 0 CCADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]C[C@@H]1CCCOC1 ZINC001399040366 915010441 /nfs/dbraw/zinc/01/04/41/915010441.db2.gz NUWAWIBZPMRAOF-KGLIPLIRSA-N 2 2 294.399 0.794 20 0 CCADLP CCc1cnc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001399101167 915048717 /nfs/dbraw/zinc/04/87/17/915048717.db2.gz FFWCAAQNOQLKFO-NEPJUHHUSA-N 2 2 294.399 0.783 20 0 CCADLP CCc1cnc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001399101167 915048736 /nfs/dbraw/zinc/04/87/36/915048736.db2.gz FFWCAAQNOQLKFO-NEPJUHHUSA-N 2 2 294.399 0.783 20 0 CCADLP CCOCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001328276723 915074829 /nfs/dbraw/zinc/07/48/29/915074829.db2.gz BRLUHNHNZQJOIE-OLZOCXBDSA-N 2 2 294.399 0.958 20 0 CCADLP CCOCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001328276723 915074847 /nfs/dbraw/zinc/07/48/47/915074847.db2.gz BRLUHNHNZQJOIE-OLZOCXBDSA-N 2 2 294.399 0.958 20 0 CCADLP Cn1nccc1C[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001399441650 915175967 /nfs/dbraw/zinc/17/59/67/915175967.db2.gz YBXMPVBMQJAKHH-ZDUSSCGKSA-N 2 2 279.388 0.062 20 0 CCADLP Cn1nccc1C[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001399441650 915175976 /nfs/dbraw/zinc/17/59/76/915175976.db2.gz YBXMPVBMQJAKHH-ZDUSSCGKSA-N 2 2 279.388 0.062 20 0 CCADLP Cn1nccc1C[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001399441650 915175989 /nfs/dbraw/zinc/17/59/89/915175989.db2.gz YBXMPVBMQJAKHH-ZDUSSCGKSA-N 2 2 279.388 0.062 20 0 CCADLP Cn1nccc1C[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001399441650 915175996 /nfs/dbraw/zinc/17/59/96/915175996.db2.gz YBXMPVBMQJAKHH-ZDUSSCGKSA-N 2 2 279.388 0.062 20 0 CCADLP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccn(C)n1 ZINC001399697686 915331352 /nfs/dbraw/zinc/33/13/52/915331352.db2.gz ZWOIAJQAYKCMIR-CQSZACIVSA-N 2 2 293.415 0.452 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccn(C)n1 ZINC001399697686 915331374 /nfs/dbraw/zinc/33/13/74/915331374.db2.gz ZWOIAJQAYKCMIR-CQSZACIVSA-N 2 2 293.415 0.452 20 0 CCADLP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1ccn(C)n1 ZINC001399697686 915331395 /nfs/dbraw/zinc/33/13/95/915331395.db2.gz ZWOIAJQAYKCMIR-CQSZACIVSA-N 2 2 293.415 0.452 20 0 CCADLP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)Cc1ccn(C)n1 ZINC001399697686 915331416 /nfs/dbraw/zinc/33/14/16/915331416.db2.gz ZWOIAJQAYKCMIR-CQSZACIVSA-N 2 2 293.415 0.452 20 0 CCADLP O=C(NC1CC(C[NH2+]CCF)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001328879653 915495200 /nfs/dbraw/zinc/49/52/00/915495200.db2.gz KEZMQLHGNXTHCA-CPCZMJQVSA-N 2 2 294.374 0.899 20 0 CCADLP Cn1c[nH+]cc1CN1CC(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001400346761 915694503 /nfs/dbraw/zinc/69/45/03/915694503.db2.gz QHUHUZGZBVINCN-UHFFFAOYSA-N 2 2 291.399 0.205 20 0 CCADLP Cn1c[nH+]cc1CN1CC(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001400346761 915694514 /nfs/dbraw/zinc/69/45/14/915694514.db2.gz QHUHUZGZBVINCN-UHFFFAOYSA-N 2 2 291.399 0.205 20 0 CCADLP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001418072097 921809777 /nfs/dbraw/zinc/80/97/77/921809777.db2.gz KYOSFJNOGHXRRU-NWDGAFQWSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001418072097 921809792 /nfs/dbraw/zinc/80/97/92/921809792.db2.gz KYOSFJNOGHXRRU-NWDGAFQWSA-N 2 2 280.372 0.256 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CCc1c[nH+]cn1C ZINC001401256439 916152174 /nfs/dbraw/zinc/15/21/74/916152174.db2.gz JAXGWZFCMAPQKH-CHWSQXEVSA-N 2 2 296.415 0.824 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@@H]([NH2+]CCO)C(C)C)c[nH+]1 ZINC001401328167 916173651 /nfs/dbraw/zinc/17/36/51/916173651.db2.gz JKPRWUYPORGTKS-CYBMUJFWSA-N 2 2 296.415 0.649 20 0 CCADLP CC[NH2+]C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001401855225 916634739 /nfs/dbraw/zinc/63/47/39/916634739.db2.gz LBOLDTBOQHDCDJ-GXTWGEPZSA-N 2 2 276.384 0.950 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001401908740 916683890 /nfs/dbraw/zinc/68/38/90/916683890.db2.gz NJXQDAQZKPMSEM-GXTWGEPZSA-N 2 2 294.399 0.578 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001401908740 916683899 /nfs/dbraw/zinc/68/38/99/916683899.db2.gz NJXQDAQZKPMSEM-GXTWGEPZSA-N 2 2 294.399 0.578 20 0 CCADLP Cc1nocc1C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001401982528 916742496 /nfs/dbraw/zinc/74/24/96/916742496.db2.gz HBWGYLUUSPXNLD-UHFFFAOYSA-N 2 2 289.339 0.618 20 0 CCADLP CN(C(=O)CC[NH+](C)C)C1C[NH+](CCc2cnn(C)c2)C1 ZINC001402019952 916755769 /nfs/dbraw/zinc/75/57/69/916755769.db2.gz ICDGCMGANLRGJV-UHFFFAOYSA-N 2 2 293.415 0.057 20 0 CCADLP CN(C)C(=O)OCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC001331143033 917120115 /nfs/dbraw/zinc/12/01/15/917120115.db2.gz CUOQGULKINEMBD-NEPJUHHUSA-N 2 2 255.362 0.711 20 0 CCADLP CN(C)C(=O)OCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC001331143033 917120123 /nfs/dbraw/zinc/12/01/23/917120123.db2.gz CUOQGULKINEMBD-NEPJUHHUSA-N 2 2 255.362 0.711 20 0 CCADLP CN(C)C(=O)OCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001331143033 917120137 /nfs/dbraw/zinc/12/01/37/917120137.db2.gz CUOQGULKINEMBD-NEPJUHHUSA-N 2 2 255.362 0.711 20 0 CCADLP CN(C)C(=O)OCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC001331143033 917120144 /nfs/dbraw/zinc/12/01/44/917120144.db2.gz CUOQGULKINEMBD-NEPJUHHUSA-N 2 2 255.362 0.711 20 0 CCADLP CC[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001402602755 917121588 /nfs/dbraw/zinc/12/15/88/917121588.db2.gz BRJBFIQPPAOOPK-UONOGXRCSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001402701848 917182386 /nfs/dbraw/zinc/18/23/86/917182386.db2.gz ZNGQCNXVFNMHGL-RYUDHWBXSA-N 2 2 280.372 0.161 20 0 CCADLP CCC1([NH2+]C[C@@H](C)O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001402736380 917198310 /nfs/dbraw/zinc/19/83/10/917198310.db2.gz ZLPYBRAYQCGYGP-CYBMUJFWSA-N 2 2 294.399 0.625 20 0 CCADLP CC[NH2+][C@@]1(CO)CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001402740880 917200982 /nfs/dbraw/zinc/20/09/82/917200982.db2.gz VYJKNEAVXQVIMB-AWEZNQCLSA-N 2 2 280.372 0.224 20 0 CCADLP O=C(NCC[C@H]1CC[NH2+]C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001331466620 917352173 /nfs/dbraw/zinc/35/21/73/917352173.db2.gz QLNZZGLEJHNZAG-VXGBXAGGSA-N 2 2 262.357 0.561 20 0 CCADLP CC[C@@H](C[NH2+][C@H](C)CNC(=O)Cc1c[nH+]cn1C)OC ZINC001403079434 917461835 /nfs/dbraw/zinc/46/18/35/917461835.db2.gz JQBWRMAWORCHCA-YPMHNXCESA-N 2 2 282.388 0.482 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)CCn1cccn1 ZINC001403187632 917566589 /nfs/dbraw/zinc/56/65/89/917566589.db2.gz GJJKKWCBKCBUFE-LBPRGKRZSA-N 2 2 290.371 0.285 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)CCn1cccn1 ZINC001403187632 917566596 /nfs/dbraw/zinc/56/65/96/917566596.db2.gz GJJKKWCBKCBUFE-LBPRGKRZSA-N 2 2 290.371 0.285 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001403240378 917609872 /nfs/dbraw/zinc/60/98/72/917609872.db2.gz VBUJEVNAAOBKHI-KBPBESRZSA-N 2 2 297.443 0.680 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CCCCC[N@H+]1CCO ZINC001403283360 917628835 /nfs/dbraw/zinc/62/88/35/917628835.db2.gz GOQOUDCQAFFSMX-CYBMUJFWSA-N 2 2 280.372 0.236 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CCCCC[N@@H+]1CCO ZINC001403283360 917628844 /nfs/dbraw/zinc/62/88/44/917628844.db2.gz GOQOUDCQAFFSMX-CYBMUJFWSA-N 2 2 280.372 0.236 20 0 CCADLP CCOCC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@@H]1C ZINC001331915400 917712054 /nfs/dbraw/zinc/71/20/54/917712054.db2.gz CWLQQGGFFFFUIU-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP COCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001332033552 917813867 /nfs/dbraw/zinc/81/38/67/917813867.db2.gz VDRRSIIDWILNGG-VXGBXAGGSA-N 2 2 280.372 0.568 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1nncs1 ZINC001403617241 917847734 /nfs/dbraw/zinc/84/77/34/917847734.db2.gz CTXMMWLTYCIRNG-NSHDSACASA-N 2 2 299.444 0.815 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1nncs1 ZINC001403617241 917847743 /nfs/dbraw/zinc/84/77/43/917847743.db2.gz CTXMMWLTYCIRNG-NSHDSACASA-N 2 2 299.444 0.815 20 0 CCADLP CC(C)C[NH2+][C@H](CO)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001403696816 917938577 /nfs/dbraw/zinc/93/85/77/917938577.db2.gz BDZTZIDKJJNJMX-AAEUAGOBSA-N 2 2 282.388 0.311 20 0 CCADLP CC(C)C[NH2+][C@H](CO)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001403696816 917938594 /nfs/dbraw/zinc/93/85/94/917938594.db2.gz BDZTZIDKJJNJMX-AAEUAGOBSA-N 2 2 282.388 0.311 20 0 CCADLP C[C@H]1[C@H](NC(=O)CCc2c[nH]c[nH+]2)CCC[N@@H+]1CCCO ZINC001403832597 918044975 /nfs/dbraw/zinc/04/49/75/918044975.db2.gz USPLMZNNIPWSJC-GXTWGEPZSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@H]1[C@H](NC(=O)CCc2c[nH]c[nH+]2)CCC[N@H+]1CCCO ZINC001403832597 918045007 /nfs/dbraw/zinc/04/50/07/918045007.db2.gz USPLMZNNIPWSJC-GXTWGEPZSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@H]1[C@H](NC(=O)CCc2c[nH+]c[nH]2)CCC[N@@H+]1CCCO ZINC001403832597 918045023 /nfs/dbraw/zinc/04/50/23/918045023.db2.gz USPLMZNNIPWSJC-GXTWGEPZSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@H]1[C@H](NC(=O)CCc2c[nH+]c[nH]2)CCC[N@H+]1CCCO ZINC001403832597 918045042 /nfs/dbraw/zinc/04/50/42/918045042.db2.gz USPLMZNNIPWSJC-GXTWGEPZSA-N 2 2 294.399 0.694 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CC(=O)NC ZINC001403852616 918062203 /nfs/dbraw/zinc/06/22/03/918062203.db2.gz OHBZGXWJZHGYDR-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CC(=O)NC ZINC001403852616 918062219 /nfs/dbraw/zinc/06/22/19/918062219.db2.gz OHBZGXWJZHGYDR-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)CC(=O)NC ZINC001403852616 918062235 /nfs/dbraw/zinc/06/22/35/918062235.db2.gz OHBZGXWJZHGYDR-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)CC(=O)NC ZINC001403852616 918062249 /nfs/dbraw/zinc/06/22/49/918062249.db2.gz OHBZGXWJZHGYDR-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CC[C@H](F)C[N@H+](CC)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001403850021 918065971 /nfs/dbraw/zinc/06/59/71/918065971.db2.gz YWWPJTDRWDCKKF-STQMWFEESA-N 2 2 289.395 0.503 20 0 CCADLP CC[C@H](F)C[N@@H+](CC)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001403850021 918065991 /nfs/dbraw/zinc/06/59/91/918065991.db2.gz YWWPJTDRWDCKKF-STQMWFEESA-N 2 2 289.395 0.503 20 0 CCADLP CC[C@H](F)C[NH+](CC)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001403850021 918066009 /nfs/dbraw/zinc/06/60/09/918066009.db2.gz YWWPJTDRWDCKKF-STQMWFEESA-N 2 2 289.395 0.503 20 0 CCADLP CC[C@H](F)C[NH+](CC)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001403850021 918066023 /nfs/dbraw/zinc/06/60/23/918066023.db2.gz YWWPJTDRWDCKKF-STQMWFEESA-N 2 2 289.395 0.503 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001404538298 918383074 /nfs/dbraw/zinc/38/30/74/918383074.db2.gz BMPJXWPAJDTLNW-KGLIPLIRSA-N 2 2 294.399 0.746 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001404538298 918383085 /nfs/dbraw/zinc/38/30/85/918383085.db2.gz BMPJXWPAJDTLNW-KGLIPLIRSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@H](O)[C@H](O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001332701407 918391329 /nfs/dbraw/zinc/39/13/29/918391329.db2.gz VTEUSDWDMVFMLP-RWMBFGLXSA-N 2 2 267.373 0.416 20 0 CCADLP C[C@H](O)[C@H](O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001332701407 918391341 /nfs/dbraw/zinc/39/13/41/918391341.db2.gz VTEUSDWDMVFMLP-RWMBFGLXSA-N 2 2 267.373 0.416 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)CCc2[nH+]ccn2C)C1 ZINC001405115731 918609174 /nfs/dbraw/zinc/60/91/74/918609174.db2.gz GFSDZRMFWKGNNF-OLZOCXBDSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)CCc2[nH+]ccn2C)C1 ZINC001405115731 918609182 /nfs/dbraw/zinc/60/91/82/918609182.db2.gz GFSDZRMFWKGNNF-OLZOCXBDSA-N 2 2 294.399 0.266 20 0 CCADLP Cc1nnc(CC[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)o1 ZINC001333197092 918726470 /nfs/dbraw/zinc/72/64/70/918726470.db2.gz BOUSYNNMANJPII-VXGBXAGGSA-N 2 2 250.346 0.947 20 0 CCADLP Cc1nnc(CC[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)o1 ZINC001333197092 918726487 /nfs/dbraw/zinc/72/64/87/918726487.db2.gz BOUSYNNMANJPII-VXGBXAGGSA-N 2 2 250.346 0.947 20 0 CCADLP Cc1nnc(CC[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)o1 ZINC001333197092 918726503 /nfs/dbraw/zinc/72/65/03/918726503.db2.gz BOUSYNNMANJPII-VXGBXAGGSA-N 2 2 250.346 0.947 20 0 CCADLP Cc1nnc(CC[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)o1 ZINC001333197092 918726520 /nfs/dbraw/zinc/72/65/20/918726520.db2.gz BOUSYNNMANJPII-VXGBXAGGSA-N 2 2 250.346 0.947 20 0 CCADLP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1csnn1 ZINC001405346339 918733700 /nfs/dbraw/zinc/73/37/00/918733700.db2.gz OYTHRINWDIXZLI-MNOVXSKESA-N 2 2 297.428 0.474 20 0 CCADLP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1csnn1 ZINC001405346339 918733718 /nfs/dbraw/zinc/73/37/18/918733718.db2.gz OYTHRINWDIXZLI-MNOVXSKESA-N 2 2 297.428 0.474 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CCO ZINC001406048802 919013587 /nfs/dbraw/zinc/01/35/87/919013587.db2.gz WJAYTPGWOWMJLO-QWHCGFSZSA-N 2 2 294.399 0.168 20 0 CCADLP C[NH2+]C[C@@H]1CCCN1C(=O)NCc1c[nH+]cn1C ZINC001333626603 919052982 /nfs/dbraw/zinc/05/29/82/919052982.db2.gz WLHGTBJDUQHPCJ-JTQLQIEISA-N 2 2 251.334 0.314 20 0 CCADLP C[C@H](C[NH2+]Cc1ccnn1C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001406366118 919216471 /nfs/dbraw/zinc/21/64/71/919216471.db2.gz RMJKDXIIBBGFAO-LLVKDONJSA-N 2 2 290.371 0.370 20 0 CCADLP C[C@H](C[NH2+]Cc1ccnn1C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001406366118 919216483 /nfs/dbraw/zinc/21/64/83/919216483.db2.gz RMJKDXIIBBGFAO-LLVKDONJSA-N 2 2 290.371 0.370 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@@H+]1Cc1cccnc1 ZINC001406839582 919488269 /nfs/dbraw/zinc/48/82/69/919488269.db2.gz ADOUSAJMKJJMMA-OAHLLOKOSA-N 2 2 299.378 0.977 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@H+]1Cc1cccnc1 ZINC001406839582 919488279 /nfs/dbraw/zinc/48/82/79/919488279.db2.gz ADOUSAJMKJJMMA-OAHLLOKOSA-N 2 2 299.378 0.977 20 0 CCADLP CC[C@@H](C(=O)NC[C@H]1COCC[N@@H+]1CC)[NH+](CC)CC ZINC001407760773 919877482 /nfs/dbraw/zinc/87/74/82/919877482.db2.gz RELOFXFEUHNKNJ-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP CC[C@@H](C(=O)NC[C@H]1COCC[N@H+]1CC)[NH+](CC)CC ZINC001407760773 919877489 /nfs/dbraw/zinc/87/74/89/919877489.db2.gz RELOFXFEUHNKNJ-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP CN(CCC[N@H+](C)Cc1ccon1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001407947975 919962870 /nfs/dbraw/zinc/96/28/70/919962870.db2.gz LQESZZGUHDNCJD-CYBMUJFWSA-N 2 2 294.399 0.907 20 0 CCADLP CN(CCC[N@@H+](C)Cc1ccon1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001407947975 919962883 /nfs/dbraw/zinc/96/28/83/919962883.db2.gz LQESZZGUHDNCJD-CYBMUJFWSA-N 2 2 294.399 0.907 20 0 CCADLP CN(CCC[NH+](C)Cc1ccon1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001407947975 919962891 /nfs/dbraw/zinc/96/28/91/919962891.db2.gz LQESZZGUHDNCJD-CYBMUJFWSA-N 2 2 294.399 0.907 20 0 CCADLP CN(CCC[NH+](C)Cc1ccon1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001407947975 919962912 /nfs/dbraw/zinc/96/29/12/919962912.db2.gz LQESZZGUHDNCJD-CYBMUJFWSA-N 2 2 294.399 0.907 20 0 CCADLP C[C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1CCO ZINC001408153626 920070505 /nfs/dbraw/zinc/07/05/05/920070505.db2.gz FVWIKYSZFCCEOT-NWDGAFQWSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1CCO ZINC001408153626 920070524 /nfs/dbraw/zinc/07/05/24/920070524.db2.gz FVWIKYSZFCCEOT-NWDGAFQWSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1CCO ZINC001408153626 920070542 /nfs/dbraw/zinc/07/05/42/920070542.db2.gz FVWIKYSZFCCEOT-NWDGAFQWSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1CCO ZINC001408153626 920070559 /nfs/dbraw/zinc/07/05/59/920070559.db2.gz FVWIKYSZFCCEOT-NWDGAFQWSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H]1CC[N@H+](CC[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001335395898 920167319 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CC[C@H](C[NH+]1CCOCC1)NC(=O)NCCCC[NH3+] ZINC001336893193 921088501 /nfs/dbraw/zinc/08/85/01/921088501.db2.gz JDBTXDRUHSDBSE-GFCCVEGCSA-N 2 2 272.393 0.135 20 0 CCADLP C[C@@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]C[C@H]1CCOC1 ZINC001418268399 921977421 /nfs/dbraw/zinc/97/74/21/921977421.db2.gz YBUZKVQZGXVPPV-QWHCGFSZSA-N 2 2 294.399 0.484 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001418284751 921995397 /nfs/dbraw/zinc/99/53/97/921995397.db2.gz GRIRAXRHVBXAEC-XQQFMLRXSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001418284751 921995407 /nfs/dbraw/zinc/99/54/07/921995407.db2.gz GRIRAXRHVBXAEC-XQQFMLRXSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC001418284751 921995418 /nfs/dbraw/zinc/99/54/18/921995418.db2.gz GRIRAXRHVBXAEC-XQQFMLRXSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001418284751 921995433 /nfs/dbraw/zinc/99/54/33/921995433.db2.gz GRIRAXRHVBXAEC-XQQFMLRXSA-N 2 2 276.384 0.998 20 0 CCADLP C[N@H+](CCCO)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001418371604 922059125 /nfs/dbraw/zinc/05/91/25/922059125.db2.gz IKALHOQKUWAGRZ-AWEZNQCLSA-N 2 2 294.399 0.578 20 0 CCADLP C[N@@H+](CCCO)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001418371604 922059144 /nfs/dbraw/zinc/05/91/44/922059144.db2.gz IKALHOQKUWAGRZ-AWEZNQCLSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@@]1(C(=O)Nc2ccc3[nH+]ccn3c2)C[C@@H](O)C[NH2+]1 ZINC001340633076 922147076 /nfs/dbraw/zinc/14/70/76/922147076.db2.gz DCFINUCEEIYSBG-MFKMUULPSA-N 2 2 260.297 0.386 20 0 CCADLP Cn1cncc1C[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001418510964 922201145 /nfs/dbraw/zinc/20/11/45/922201145.db2.gz AGTWQUYVMSJGGV-UHFFFAOYSA-N 2 2 291.399 0.064 20 0 CCADLP Cn1cncc1C[N@@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001418510964 922201160 /nfs/dbraw/zinc/20/11/60/922201160.db2.gz AGTWQUYVMSJGGV-UHFFFAOYSA-N 2 2 291.399 0.064 20 0 CCADLP [NH3+]CCN(CC(F)(F)F)C(=O)C[C@@H]([NH3+])C(F)F ZINC001340844255 922239077 /nfs/dbraw/zinc/23/90/77/922239077.db2.gz DUBWYFNAQBLZHN-RXMQYKEDSA-N 2 2 263.210 0.319 20 0 CCADLP CC1(C(=O)NCC[NH+]2CCC([NH3+])CC2)CCOCC1 ZINC001340941879 922286129 /nfs/dbraw/zinc/28/61/29/922286129.db2.gz CKILXRSLKDNNPV-UHFFFAOYSA-N 2 2 269.389 0.342 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1c[nH+]cn1C ZINC001418593574 922288261 /nfs/dbraw/zinc/28/82/61/922288261.db2.gz KKJNTTLUTPXGSR-QWHCGFSZSA-N 2 2 294.399 0.530 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)CCC1C[NH2+]C1 ZINC001341127291 922353388 /nfs/dbraw/zinc/35/33/88/922353388.db2.gz OXIAGSJRBDDGQQ-ZDUSSCGKSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@H]([NH3+])CONC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC001341216679 922385851 /nfs/dbraw/zinc/38/58/51/922385851.db2.gz BSRJRHUIJKGHCZ-NSHDSACASA-N 2 2 274.324 0.940 20 0 CCADLP C[C@@H](O)C[N@H+](C)CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001418944005 922499320 /nfs/dbraw/zinc/49/93/20/922499320.db2.gz BQVWICLSUVAVGX-GFCCVEGCSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@@H](O)C[N@@H+](C)CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001418944005 922499328 /nfs/dbraw/zinc/49/93/28/922499328.db2.gz BQVWICLSUVAVGX-GFCCVEGCSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@H]([NH3+])C1(C(=O)NCCn2cc[nH+]c2)CCOCC1 ZINC001341536305 922538787 /nfs/dbraw/zinc/53/87/87/922538787.db2.gz YBHLWTUMJQSHKN-NSHDSACASA-N 2 2 266.345 0.143 20 0 CCADLP C[N@H+](CCC(=O)NC1C[NH+](CCO)C1)C1CCCCC1 ZINC001418986599 922543181 /nfs/dbraw/zinc/54/31/81/922543181.db2.gz AEGFLRVMMXLIEO-UHFFFAOYSA-N 2 2 283.416 0.434 20 0 CCADLP C[N@@H+](CCC(=O)NC1C[NH+](CCO)C1)C1CCCCC1 ZINC001418986599 922543191 /nfs/dbraw/zinc/54/31/91/922543191.db2.gz AEGFLRVMMXLIEO-UHFFFAOYSA-N 2 2 283.416 0.434 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC001341973940 922744917 /nfs/dbraw/zinc/74/49/17/922744917.db2.gz IPGDNCIZLSAPJP-FBIMIBRVSA-N 2 2 250.346 0.830 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC001341973940 922744928 /nfs/dbraw/zinc/74/49/28/922744928.db2.gz IPGDNCIZLSAPJP-FBIMIBRVSA-N 2 2 250.346 0.830 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@](C)(C[NH2+]CC2CC2)C2CC2)C1 ZINC001419328359 922771900 /nfs/dbraw/zinc/77/19/00/922771900.db2.gz AFNRYOGONIZGNN-GDBMZVCRSA-N 2 2 295.427 0.602 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@](C)(C[NH2+]CC2CC2)C2CC2)C1 ZINC001419328359 922771915 /nfs/dbraw/zinc/77/19/15/922771915.db2.gz AFNRYOGONIZGNN-GDBMZVCRSA-N 2 2 295.427 0.602 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC2CC1(C[NH3+])C2 ZINC001342131639 922821363 /nfs/dbraw/zinc/82/13/63/922821363.db2.gz YZGBMHYWWKJLQX-JXRVJTEKSA-N 2 2 260.341 0.473 20 0 CCADLP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C[C@H]([NH3+])C(F)F)C2 ZINC001342251275 922877978 /nfs/dbraw/zinc/87/79/78/922877978.db2.gz URYKVLRDNZFPAC-KPXOXKRLSA-N 2 2 261.316 0.427 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001342302245 922902685 /nfs/dbraw/zinc/90/26/85/922902685.db2.gz QOLHAYTZUUUDMR-ADEWGFFLSA-N 2 2 250.346 0.845 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001342302245 922902688 /nfs/dbraw/zinc/90/26/88/922902688.db2.gz QOLHAYTZUUUDMR-ADEWGFFLSA-N 2 2 250.346 0.845 20 0 CCADLP CC[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NC)[NH+](C)C ZINC001419611699 922946307 /nfs/dbraw/zinc/94/63/07/922946307.db2.gz VZMMPIKXCQFXLB-OLZOCXBDSA-N 2 2 298.431 0.043 20 0 CCADLP CC[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NC)[NH+](C)C ZINC001419611699 922946313 /nfs/dbraw/zinc/94/63/13/922946313.db2.gz VZMMPIKXCQFXLB-OLZOCXBDSA-N 2 2 298.431 0.043 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@H]1CCC[N@H+](CCO)C1 ZINC001419627109 922953404 /nfs/dbraw/zinc/95/34/04/922953404.db2.gz OHPTUELPUICTBY-YPMHNXCESA-N 2 2 294.399 0.470 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CCO)C1 ZINC001419627109 922953421 /nfs/dbraw/zinc/95/34/21/922953421.db2.gz OHPTUELPUICTBY-YPMHNXCESA-N 2 2 294.399 0.470 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001419663318 922986635 /nfs/dbraw/zinc/98/66/35/922986635.db2.gz WPWUCQQLRNYZII-XOBFJNJYSA-N 2 2 292.383 0.261 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001419663318 922986642 /nfs/dbraw/zinc/98/66/42/922986642.db2.gz WPWUCQQLRNYZII-XOBFJNJYSA-N 2 2 292.383 0.261 20 0 CCADLP CC(C)(C(=O)N1C[C@H]([NH3+])C(C)(C)C1)c1c[nH+]c[nH]1 ZINC001342573866 923007773 /nfs/dbraw/zinc/00/77/73/923007773.db2.gz PWASZWDMBMWTQV-VIFPVBQESA-N 2 2 250.346 0.883 20 0 CCADLP COC[C@@H](C)[NH2+][C@H](CNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001419912380 923162780 /nfs/dbraw/zinc/16/27/80/923162780.db2.gz VOSMXHREVHCFRR-DGCLKSJQSA-N 2 2 282.388 0.718 20 0 CCADLP CC[C@H](C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)OC ZINC001419996482 923223140 /nfs/dbraw/zinc/22/31/40/923223140.db2.gz PUMLVXLOFQAWKA-TZMCWYRMSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@H+](C)CCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001420027134 923248665 /nfs/dbraw/zinc/24/86/65/923248665.db2.gz WCJIIMTXYXTHFG-LBPRGKRZSA-N 2 2 282.388 0.625 20 0 CCADLP COCC[N@@H+](C)CCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001420027134 923248681 /nfs/dbraw/zinc/24/86/81/923248681.db2.gz WCJIIMTXYXTHFG-LBPRGKRZSA-N 2 2 282.388 0.625 20 0 CCADLP C[C@@H]1C[C@H](N(C)C(=O)C[C@H]([NH3+])C(F)F)CC[N@@H+]1C ZINC001343440357 923314736 /nfs/dbraw/zinc/31/47/36/923314736.db2.gz XYFRGMMGGPINBQ-BBBLOLIVSA-N 2 2 263.332 0.910 20 0 CCADLP C[C@@H]1C[C@H](N(C)C(=O)C[C@H]([NH3+])C(F)F)CC[N@H+]1C ZINC001343440357 923314748 /nfs/dbraw/zinc/31/47/48/923314748.db2.gz XYFRGMMGGPINBQ-BBBLOLIVSA-N 2 2 263.332 0.910 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CSC[NH2+]1 ZINC001343444513 923318834 /nfs/dbraw/zinc/31/88/34/923318834.db2.gz JIVXUXGSYVRUDF-LSJOCFKGSA-N 2 2 255.387 0.248 20 0 CCADLP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH3+])C1)[N@@H+]1CCO[C@@H](CC)C1 ZINC001343610492 923391499 /nfs/dbraw/zinc/39/14/99/923391499.db2.gz XPXHPAXFPCFAMI-CYDGBPFRSA-N 2 2 269.389 0.482 20 0 CCADLP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH3+])C1)[N@H+]1CCO[C@@H](CC)C1 ZINC001343610492 923391507 /nfs/dbraw/zinc/39/15/07/923391507.db2.gz XPXHPAXFPCFAMI-CYDGBPFRSA-N 2 2 269.389 0.482 20 0 CCADLP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001344057580 923540947 /nfs/dbraw/zinc/54/09/47/923540947.db2.gz IPBSASAWJVZODM-DGCLKSJQSA-N 2 2 264.373 0.935 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH+](C)Cc1nccnc1C ZINC001420341431 923556211 /nfs/dbraw/zinc/55/62/11/923556211.db2.gz OLMUEAQJMNGZTH-UHFFFAOYSA-N 2 2 293.415 0.675 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH+](C)Cc1nccnc1C ZINC001420341431 923556226 /nfs/dbraw/zinc/55/62/26/923556226.db2.gz OLMUEAQJMNGZTH-UHFFFAOYSA-N 2 2 293.415 0.675 20 0 CCADLP CCC[NH+](C)CC(=O)NCC[N@H+](C)Cc1nccnc1C ZINC001420341431 923556238 /nfs/dbraw/zinc/55/62/38/923556238.db2.gz OLMUEAQJMNGZTH-UHFFFAOYSA-N 2 2 293.415 0.675 20 0 CCADLP CCC[NH+](C)CC(=O)NCC[N@@H+](C)Cc1nccnc1C ZINC001420341431 923556255 /nfs/dbraw/zinc/55/62/55/923556255.db2.gz OLMUEAQJMNGZTH-UHFFFAOYSA-N 2 2 293.415 0.675 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+]Cc1cnsn1 ZINC001420370253 923589315 /nfs/dbraw/zinc/58/93/15/923589315.db2.gz KYUPMIZVRKRHPU-SECBINFHSA-N 2 2 294.384 0.338 20 0 CCADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)CCn1cccn1 ZINC001420452628 923676857 /nfs/dbraw/zinc/67/68/57/923676857.db2.gz IVLWZYUMSTXEDZ-UHFFFAOYSA-N 2 2 290.371 0.218 20 0 CCADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)CCn1cccn1 ZINC001420452628 923676867 /nfs/dbraw/zinc/67/68/67/923676867.db2.gz IVLWZYUMSTXEDZ-UHFFFAOYSA-N 2 2 290.371 0.218 20 0 CCADLP CCc1noc(C[NH2+]C[C@H](C)NC(=O)[C@H](CC)[NH+](C)C)n1 ZINC001420468522 923690459 /nfs/dbraw/zinc/69/04/59/923690459.db2.gz IVFYMIZFGVMRNJ-QWRGUYRKSA-N 2 2 297.403 0.567 20 0 CCADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(N)=O ZINC001347179214 924390566 /nfs/dbraw/zinc/39/05/66/924390566.db2.gz UCFJALOWAUIVCM-NEPJUHHUSA-N 2 2 255.362 0.093 20 0 CCADLP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCc3c[nH]c[nH+]3)[C@H]2C1 ZINC001348223846 924622053 /nfs/dbraw/zinc/62/20/53/924622053.db2.gz IOOAOUCZBFQFAW-DRZSPHRISA-N 2 2 262.357 0.799 20 0 CCADLP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCc3c[nH]c[nH+]3)[C@H]2C1 ZINC001348223846 924622058 /nfs/dbraw/zinc/62/20/58/924622058.db2.gz IOOAOUCZBFQFAW-DRZSPHRISA-N 2 2 262.357 0.799 20 0 CCADLP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCc3c[nH+]c[nH]3)[C@H]2C1 ZINC001348223846 924622065 /nfs/dbraw/zinc/62/20/65/924622065.db2.gz IOOAOUCZBFQFAW-DRZSPHRISA-N 2 2 262.357 0.799 20 0 CCADLP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCc3c[nH+]c[nH]3)[C@H]2C1 ZINC001348223846 924622068 /nfs/dbraw/zinc/62/20/68/924622068.db2.gz IOOAOUCZBFQFAW-DRZSPHRISA-N 2 2 262.357 0.799 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC001349598651 925001787 /nfs/dbraw/zinc/00/17/87/925001787.db2.gz BCLCZBPTSJNKNG-IJLUTSLNSA-N 2 2 269.389 0.197 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC001349598651 925001790 /nfs/dbraw/zinc/00/17/90/925001790.db2.gz BCLCZBPTSJNKNG-IJLUTSLNSA-N 2 2 269.389 0.197 20 0 CCADLP COCC[NH2+]C1CCN(C(=O)[C@@H](C)n2cc[nH+]c2)CC1 ZINC001349655068 925017714 /nfs/dbraw/zinc/01/77/14/925017714.db2.gz CKXVVLRKALZMQU-GFCCVEGCSA-N 2 2 280.372 0.671 20 0 CCADLP CC(C)(C)[NH2+]CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001351044916 925351258 /nfs/dbraw/zinc/35/12/58/925351258.db2.gz WATULHABQOWARF-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC1(C[NH3+])CCCCC1 ZINC001353478216 925844470 /nfs/dbraw/zinc/84/44/70/925844470.db2.gz OHGNOLJJZJBIPE-UHFFFAOYSA-N 2 2 265.361 0.881 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC001353653105 925896250 /nfs/dbraw/zinc/89/62/50/925896250.db2.gz BNLLOVRBBKPVIJ-CMPLNLGQSA-N 2 2 262.357 0.847 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC001353653105 925896256 /nfs/dbraw/zinc/89/62/56/925896256.db2.gz BNLLOVRBBKPVIJ-CMPLNLGQSA-N 2 2 262.357 0.847 20 0 CCADLP CC1(C)CC[C@@H](CNC(=O)C[C@H]([NH3+])C(F)F)[NH2+]C1 ZINC001354474071 926114223 /nfs/dbraw/zinc/11/42/23/926114223.db2.gz HFTRNXBGJIOLHX-IUCAKERBSA-N 2 2 263.332 0.863 20 0 CCADLP Cc1cc(C)c(CNC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)c[nH+]1 ZINC001356429145 926379867 /nfs/dbraw/zinc/37/98/67/926379867.db2.gz SYIWDCYMNUJQDO-ZWNOBZJWSA-N 2 2 290.367 0.039 20 0 CCADLP C[C@@](O)(C[NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccco1 ZINC001356609420 926409435 /nfs/dbraw/zinc/40/94/35/926409435.db2.gz NCCJTYRPFIBAES-GXTWGEPZSA-N 2 2 268.357 0.533 20 0 CCADLP C[NH2+]C[C@H](O)[C@H](C)C(=O)NCCCCNc1cccc[nH+]1 ZINC001357391950 926523326 /nfs/dbraw/zinc/52/33/26/926523326.db2.gz PDWWDRKTDVVKLI-STQMWFEESA-N 2 2 294.399 0.606 20 0 CCADLP C[NH2+]CCN(C(=O)NCCc1cn(C)c[nH+]1)C(C)C ZINC001357434869 926531328 /nfs/dbraw/zinc/53/13/28/926531328.db2.gz MYUJISREDODJEJ-UHFFFAOYSA-N 2 2 267.377 0.602 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC001357452911 926534221 /nfs/dbraw/zinc/53/42/21/926534221.db2.gz ICPXGSUXLDDMMF-QWRGUYRKSA-N 2 2 250.346 0.847 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC001357452911 926534226 /nfs/dbraw/zinc/53/42/26/926534226.db2.gz ICPXGSUXLDDMMF-QWRGUYRKSA-N 2 2 250.346 0.847 20 0 CCADLP [NH3+][C@@H](CC(=O)N[C@H]1C[NH2+]CCC1(F)F)C(F)F ZINC001357475231 926544172 /nfs/dbraw/zinc/54/41/72/926544172.db2.gz VMBIWHZXAFRZPO-WDSKDSINSA-N 2 2 257.231 0.082 20 0 CCADLP CN(CC[NH+]1CCCCC1)C(=O)C[C@H]([NH3+])C(F)F ZINC001357810171 926601026 /nfs/dbraw/zinc/60/10/26/926601026.db2.gz CWBQAJKBGPAEQA-JTQLQIEISA-N 2 2 263.332 0.913 20 0 CCADLP [NH3+][C@H](CC(=O)NC1(C2CC[NH2+]CC2)CC1)C(F)F ZINC001358446816 926700896 /nfs/dbraw/zinc/70/08/96/926700896.db2.gz DYYLWORAQAKWKK-SECBINFHSA-N 2 2 261.316 0.617 20 0 CCADLP CC[C@@H](C)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001421390988 926723817 /nfs/dbraw/zinc/72/38/17/926723817.db2.gz MAYWCKNBKJKYRE-HIFRSBDPSA-N 2 2 294.399 0.482 20 0 CCADLP CC[C@@H](C)C[N@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001421390988 926723824 /nfs/dbraw/zinc/72/38/24/926723824.db2.gz MAYWCKNBKJKYRE-HIFRSBDPSA-N 2 2 294.399 0.482 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC001414029542 926868353 /nfs/dbraw/zinc/86/83/53/926868353.db2.gz PMXDFKHMZBEKAH-NFAWXSAZSA-N 2 2 295.383 0.519 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC001414029542 926868362 /nfs/dbraw/zinc/86/83/62/926868362.db2.gz PMXDFKHMZBEKAH-NFAWXSAZSA-N 2 2 295.383 0.519 20 0 CCADLP C[N@H+](CCO)CCC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001422055522 927055051 /nfs/dbraw/zinc/05/50/51/927055051.db2.gz DRPZMTDWYBSLHB-UHFFFAOYSA-N 2 2 294.399 0.436 20 0 CCADLP C[N@@H+](CCO)CCC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001422055522 927055066 /nfs/dbraw/zinc/05/50/66/927055066.db2.gz DRPZMTDWYBSLHB-UHFFFAOYSA-N 2 2 294.399 0.436 20 0 CCADLP CN(CC[N@H+](C)CCCO)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001422174833 927123322 /nfs/dbraw/zinc/12/33/22/927123322.db2.gz JEBCTMKZZAGCDJ-ZDUSSCGKSA-N 2 2 294.399 0.218 20 0 CCADLP CN(CC[N@@H+](C)CCCO)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001422174833 927123326 /nfs/dbraw/zinc/12/33/26/927123326.db2.gz JEBCTMKZZAGCDJ-ZDUSSCGKSA-N 2 2 294.399 0.218 20 0 CCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001361667862 927233640 /nfs/dbraw/zinc/23/36/40/927233640.db2.gz UOUFKIPRCNZQQE-LLVKDONJSA-N 2 2 275.356 0.920 20 0 CCADLP C[C@H](C[NH2+]Cc1ccns1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001422576272 927379398 /nfs/dbraw/zinc/37/93/98/927379398.db2.gz HIGVSRIJFRIZLP-SECBINFHSA-N 2 2 279.369 0.703 20 0 CCADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(C(N)=O)nc1 ZINC001422738446 927481251 /nfs/dbraw/zinc/48/12/51/927481251.db2.gz VEONNRCLVWHREN-UHFFFAOYSA-N 2 2 285.351 0.931 20 0 CCADLP Cc1ncoc1C[NH2+]C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001422747892 927487917 /nfs/dbraw/zinc/48/79/17/927487917.db2.gz SKQWHWPYMGKLOW-VIFPVBQESA-N 2 2 291.355 0.852 20 0 CCADLP CO[C@@H](C)C[NH+]1CC([C@@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001422760947 927491574 /nfs/dbraw/zinc/49/15/74/927491574.db2.gz KSWAPKBCRMQYNB-NWDGAFQWSA-N 2 2 280.372 0.355 20 0 CCADLP COCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001422795090 927513459 /nfs/dbraw/zinc/51/34/59/927513459.db2.gz LIKZLOHLBACOPR-CYBMUJFWSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001422795090 927513467 /nfs/dbraw/zinc/51/34/67/927513467.db2.gz LIKZLOHLBACOPR-CYBMUJFWSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001422795090 927513476 /nfs/dbraw/zinc/51/34/76/927513476.db2.gz LIKZLOHLBACOPR-CYBMUJFWSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001422795090 927513486 /nfs/dbraw/zinc/51/34/86/927513486.db2.gz LIKZLOHLBACOPR-CYBMUJFWSA-N 2 2 294.399 0.815 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)CC(N)=O ZINC001422850630 927547844 /nfs/dbraw/zinc/54/78/44/927547844.db2.gz JJWHHLNUOMGYDC-QWHCGFSZSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)CC(N)=O ZINC001422850630 927547854 /nfs/dbraw/zinc/54/78/54/927547854.db2.gz JJWHHLNUOMGYDC-QWHCGFSZSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CC(N)=O ZINC001422850630 927547865 /nfs/dbraw/zinc/54/78/65/927547865.db2.gz JJWHHLNUOMGYDC-QWHCGFSZSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC(N)=O ZINC001422850630 927547879 /nfs/dbraw/zinc/54/78/79/927547879.db2.gz JJWHHLNUOMGYDC-QWHCGFSZSA-N 2 2 298.431 0.029 20 0 CCADLP C[C@H]([NH2+]CCF)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001422853625 927554086 /nfs/dbraw/zinc/55/40/86/927554086.db2.gz MQSNNDWAJXHSAY-RYUDHWBXSA-N 2 2 284.335 0.058 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001422906422 927583977 /nfs/dbraw/zinc/58/39/77/927583977.db2.gz VASRLIPEODVRBZ-FDYHWXHSSA-N 2 2 294.399 0.454 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001422906422 927583982 /nfs/dbraw/zinc/58/39/82/927583982.db2.gz VASRLIPEODVRBZ-FDYHWXHSSA-N 2 2 294.399 0.454 20 0 CCADLP C[C@H](CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CCF ZINC001423075993 927662620 /nfs/dbraw/zinc/66/26/20/927662620.db2.gz JEIKGEVNGKZTTD-VXGBXAGGSA-N 2 2 282.363 0.852 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001362183870 927703839 /nfs/dbraw/zinc/70/38/39/927703839.db2.gz ZKEVYMJNBOCECF-RYUDHWBXSA-N 2 2 278.356 0.240 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001362183870 927703846 /nfs/dbraw/zinc/70/38/46/927703846.db2.gz ZKEVYMJNBOCECF-RYUDHWBXSA-N 2 2 278.356 0.240 20 0 CCADLP CO[C@@H](C)C[NH2+]C1CC(N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001423681187 927957144 /nfs/dbraw/zinc/95/71/44/927957144.db2.gz GZEISLQWRFWNKJ-PKSQDBQZSA-N 2 2 294.399 0.875 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001362399211 927968029 /nfs/dbraw/zinc/96/80/29/927968029.db2.gz IWAVIFHNHBIRBO-CQSZACIVSA-N 2 2 281.400 0.404 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001362399211 927968041 /nfs/dbraw/zinc/96/80/41/927968041.db2.gz IWAVIFHNHBIRBO-CQSZACIVSA-N 2 2 281.400 0.404 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001424087381 928092061 /nfs/dbraw/zinc/09/20/61/928092061.db2.gz RTIVJYDEAQVNIY-MGPQQGTHSA-N 2 2 294.399 0.529 20 0 CCADLP CC[N@@H+]1CC[C@H]1C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001362568522 928189329 /nfs/dbraw/zinc/18/93/29/928189329.db2.gz BPRBAGOVAZCAPC-CABCVRRESA-N 2 2 295.427 0.651 20 0 CCADLP CC[N@H+]1CC[C@H]1C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001362568522 928189334 /nfs/dbraw/zinc/18/93/34/928189334.db2.gz BPRBAGOVAZCAPC-CABCVRRESA-N 2 2 295.427 0.651 20 0 CCADLP C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1cncn1C ZINC001424599138 928225954 /nfs/dbraw/zinc/22/59/54/928225954.db2.gz CMNSWQIDQRCVCI-NSHDSACASA-N 2 2 290.371 0.370 20 0 CCADLP Cc1ncoc1C[NH2+][C@@H](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001424630830 928231319 /nfs/dbraw/zinc/23/13/19/928231319.db2.gz PUTKBSSKBCOZKE-NSHDSACASA-N 2 2 291.355 0.864 20 0 CCADLP CC[C@@H](C[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]cn1C)OC ZINC001425679244 928621261 /nfs/dbraw/zinc/62/12/61/928621261.db2.gz LCUNCBQKVDHTCS-JSGCOSHPSA-N 2 2 296.415 0.824 20 0 CCADLP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccnn1C ZINC001425695685 928628033 /nfs/dbraw/zinc/62/80/33/928628033.db2.gz NIDMOIPMNFXLMD-GFCCVEGCSA-N 2 2 290.371 0.253 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001362922476 928658240 /nfs/dbraw/zinc/65/82/40/928658240.db2.gz PBLXWHHHJCIZQY-ZIAGYGMSSA-N 2 2 283.416 0.507 20 0 CCADLP CC[C@@H](C(=O)NC1C[NH+](C[C@@H](C)OC)C1)[NH+](CC)CC ZINC001443524518 929637190 /nfs/dbraw/zinc/63/71/90/929637190.db2.gz IRYMXXFKEAHRRI-OCCSQVGLSA-N 2 2 285.432 0.942 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC1C[NH+](CCC[C@@H](C)O)C1 ZINC001443560458 929647835 /nfs/dbraw/zinc/64/78/35/929647835.db2.gz KNEZTALKEJBSMC-GFCCVEGCSA-N 2 2 271.405 0.288 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC1C[NH+](CCC[C@@H](C)O)C1 ZINC001443560458 929647846 /nfs/dbraw/zinc/64/78/46/929647846.db2.gz KNEZTALKEJBSMC-GFCCVEGCSA-N 2 2 271.405 0.288 20 0 CCADLP C[N@H+](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)CC1CC1 ZINC001372017699 929704982 /nfs/dbraw/zinc/70/49/82/929704982.db2.gz OAMRSYCMBLZXGF-CYBMUJFWSA-N 2 2 276.384 0.904 20 0 CCADLP C[N@@H+](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)CC1CC1 ZINC001372017699 929704992 /nfs/dbraw/zinc/70/49/92/929704992.db2.gz OAMRSYCMBLZXGF-CYBMUJFWSA-N 2 2 276.384 0.904 20 0 CCADLP CC[C@@H](C(=O)NCC[N@@H+](C)Cc1ccnn1C)[NH+](C)C ZINC001372106597 929733685 /nfs/dbraw/zinc/73/36/85/929733685.db2.gz BSEFZZFLPUCRJG-ZDUSSCGKSA-N 2 2 281.404 0.308 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001372666844 929909925 /nfs/dbraw/zinc/90/99/25/929909925.db2.gz OGJHJTZAGQSSJZ-CMPLNLGQSA-N 2 2 280.372 0.080 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001372666844 929909934 /nfs/dbraw/zinc/90/99/34/929909934.db2.gz OGJHJTZAGQSSJZ-CMPLNLGQSA-N 2 2 280.372 0.080 20 0 CCADLP C[C@H](C[NH2+]C[C@H]1CCOC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001444688050 929933632 /nfs/dbraw/zinc/93/36/32/929933632.db2.gz IHISTLPLZPXJSE-VXGBXAGGSA-N 2 2 280.372 0.425 20 0 CCADLP CCCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001373380442 930164915 /nfs/dbraw/zinc/16/49/15/930164915.db2.gz BGZFWKCEFGLFNZ-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CCCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001373380442 930164928 /nfs/dbraw/zinc/16/49/28/930164928.db2.gz BGZFWKCEFGLFNZ-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP C[NH+](C)CCCC(=O)NC1C[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001373449201 930196859 /nfs/dbraw/zinc/19/68/59/930196859.db2.gz AOAULZTWSZDAPC-AWEZNQCLSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@H](C(=O)NC1C[NH+](C[C@H](C)O)C1)[NH+](CC)CC ZINC001373453829 930201006 /nfs/dbraw/zinc/20/10/06/930201006.db2.gz FDYRRHPKWKSKOD-WCQYABFASA-N 2 2 271.405 0.288 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NC1C[NH+](C[C@@H]2CCOC2)C1 ZINC001373483080 930213084 /nfs/dbraw/zinc/21/30/84/930213084.db2.gz CHTWZBBSXLDNRX-ZDUSSCGKSA-N 2 2 292.383 0.500 20 0 CCADLP C[C@H](C[N@H+](C)C[C@H]1CCOC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001445811872 930255547 /nfs/dbraw/zinc/25/55/47/930255547.db2.gz IACWUHYAMFNWJY-VXGBXAGGSA-N 2 2 280.372 0.425 20 0 CCADLP C[C@H](C[N@@H+](C)C[C@H]1CCOC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001445811872 930255558 /nfs/dbraw/zinc/25/55/58/930255558.db2.gz IACWUHYAMFNWJY-VXGBXAGGSA-N 2 2 280.372 0.425 20 0 CCADLP CC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1)[NH+](CC)CC ZINC001373682531 930299324 /nfs/dbraw/zinc/29/93/24/930299324.db2.gz RXAGVNWQXXZVBH-STQMWFEESA-N 2 2 298.431 0.125 20 0 CCADLP CC[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1)[NH+](CC)CC ZINC001373682531 930299335 /nfs/dbraw/zinc/29/93/35/930299335.db2.gz RXAGVNWQXXZVBH-STQMWFEESA-N 2 2 298.431 0.125 20 0 CCADLP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1conc1C ZINC001373799205 930346329 /nfs/dbraw/zinc/34/63/29/930346329.db2.gz FLIQDJCPTHLNMM-LBPRGKRZSA-N 2 2 291.355 0.933 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1ncccn1 ZINC001374115888 930425409 /nfs/dbraw/zinc/42/54/09/930425409.db2.gz UICABKQZPHOXIV-LBPRGKRZSA-N 2 2 288.355 0.215 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001446593137 930444169 /nfs/dbraw/zinc/44/41/69/930444169.db2.gz IFLXLHJIGJBFAH-SMDDNHRTSA-N 2 2 280.372 0.161 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@]1(C)CCC[N@H+](CCO)C1 ZINC001446684393 930459264 /nfs/dbraw/zinc/45/92/64/930459264.db2.gz LFAKVZRTNXZCAR-HNNXBMFYSA-N 2 2 294.399 0.471 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@]1(C)CCC[N@@H+](CCO)C1 ZINC001446684393 930459267 /nfs/dbraw/zinc/45/92/67/930459267.db2.gz LFAKVZRTNXZCAR-HNNXBMFYSA-N 2 2 294.399 0.471 20 0 CCADLP C[C@]1(CNC(=O)Cn2cc[nH+]c2)CCC[N@H+](CCO)C1 ZINC001446691389 930460186 /nfs/dbraw/zinc/46/01/86/930460186.db2.gz BNGYVPSUIJLLET-CQSZACIVSA-N 2 2 280.372 0.094 20 0 CCADLP C[C@]1(CNC(=O)Cn2cc[nH+]c2)CCC[N@@H+](CCO)C1 ZINC001446691389 930460192 /nfs/dbraw/zinc/46/01/92/930460192.db2.gz BNGYVPSUIJLLET-CQSZACIVSA-N 2 2 280.372 0.094 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC1([NH2+]CC2CC2)CCOCC1 ZINC001446717811 930466344 /nfs/dbraw/zinc/46/63/44/930466344.db2.gz XCPSTDOILVSLRK-UHFFFAOYSA-N 2 2 292.383 0.617 20 0 CCADLP Cc1nocc1C[NH2+]C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001374796085 930666669 /nfs/dbraw/zinc/66/66/69/930666669.db2.gz QKXQVXANQAHSOF-LLVKDONJSA-N 2 2 291.355 0.864 20 0 CCADLP Cc1ncc(C[NH2+]C[C@@H](C)NC(=O)Cn2cc[nH+]c2)s1 ZINC001374852591 930689665 /nfs/dbraw/zinc/68/96/65/930689665.db2.gz LMZVXMPZKKSJTQ-SNVBAGLBSA-N 2 2 293.396 0.943 20 0 CCADLP CC[N@H+](CCO)CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001447736374 930690609 /nfs/dbraw/zinc/69/06/09/930690609.db2.gz DMXRAILJGYAVTL-UHFFFAOYSA-N 2 2 294.399 0.505 20 0 CCADLP CC[N@@H+](CCO)CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001447736374 930690618 /nfs/dbraw/zinc/69/06/18/930690618.db2.gz DMXRAILJGYAVTL-UHFFFAOYSA-N 2 2 294.399 0.505 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001448028191 930790548 /nfs/dbraw/zinc/79/05/48/930790548.db2.gz YFBNSHGTHNCCJU-NEPJUHHUSA-N 2 2 264.373 0.902 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H](NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001375240668 930826914 /nfs/dbraw/zinc/82/69/14/930826914.db2.gz JZVQYWYYLIKSCK-DGCLKSJQSA-N 2 2 280.372 0.138 20 0 CCADLP COC[C@H](C)[NH2+]C[C@@H](NC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001375270204 930834616 /nfs/dbraw/zinc/83/46/16/930834616.db2.gz KSNXECAVNWSVGD-SMDDNHRTSA-N 2 2 294.399 0.482 20 0 CCADLP CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001448461947 930894706 /nfs/dbraw/zinc/89/47/06/930894706.db2.gz HVIGGAWWANOMFS-AAEUAGOBSA-N 2 2 280.372 0.568 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CCO)C1 ZINC001375581078 930924935 /nfs/dbraw/zinc/92/49/35/930924935.db2.gz DWPRVXJHUNHTEC-QWHCGFSZSA-N 2 2 294.399 0.220 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H](C)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001448781720 930979528 /nfs/dbraw/zinc/97/95/28/930979528.db2.gz ICEPNVLKVGUXHT-WDEREUQCSA-N 2 2 282.388 0.732 20 0 CCADLP COCC[N@H+](C)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001376294605 931117148 /nfs/dbraw/zinc/11/71/48/931117148.db2.gz YWOLRLNQKMUPJC-CQSZACIVSA-N 2 2 294.399 0.700 20 0 CCADLP COCC[N@@H+](C)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001376294605 931117154 /nfs/dbraw/zinc/11/71/54/931117154.db2.gz YWOLRLNQKMUPJC-CQSZACIVSA-N 2 2 294.399 0.700 20 0 CCADLP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cnsn1 ZINC001376889505 931314008 /nfs/dbraw/zinc/31/40/08/931314008.db2.gz ZHKIQPFJLYYOME-SNVBAGLBSA-N 2 2 283.401 0.228 20 0 CCADLP C[C@H](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CCF ZINC001377047856 931368134 /nfs/dbraw/zinc/36/81/34/931368134.db2.gz LGJHLJISXYHVAI-NEPJUHHUSA-N 2 2 282.363 0.899 20 0 CCADLP C[C@H](CC(N)=O)[NH2+]C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000090914171 349445452 /nfs/dbraw/zinc/44/54/52/349445452.db2.gz GTYGYGWFKAWRLU-SNPRPXQTSA-N 2 2 291.395 0.475 20 0 CCADLP C[C@H](CC(N)=O)[NH2+]C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000090914171 349445454 /nfs/dbraw/zinc/44/54/54/349445454.db2.gz GTYGYGWFKAWRLU-SNPRPXQTSA-N 2 2 291.395 0.475 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C2CC[NH+](C)CC2)[nH]1 ZINC000093084406 349523809 /nfs/dbraw/zinc/52/38/09/349523809.db2.gz XTHGHJSQAMRXLQ-UHFFFAOYSA-N 2 2 251.330 0.985 20 0 CCADLP C[C@@H](O)C[N@H+](CC(=O)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000093172258 349529478 /nfs/dbraw/zinc/52/94/78/349529478.db2.gz PCFGMKJGBIWSMN-CQSZACIVSA-N 2 2 297.443 0.776 20 0 CCADLP C[C@@H](O)C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000093172258 349529481 /nfs/dbraw/zinc/52/94/81/349529481.db2.gz PCFGMKJGBIWSMN-CQSZACIVSA-N 2 2 297.443 0.776 20 0 CCADLP C[C@@H]1[C@H](C)SCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000093174872 349529568 /nfs/dbraw/zinc/52/95/68/349529568.db2.gz SLWYYQBZGCIVAV-NEPJUHHUSA-N 2 2 271.430 0.586 20 0 CCADLP C[C@@H]1[C@H](C)SCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000093174872 349529569 /nfs/dbraw/zinc/52/95/69/349529569.db2.gz SLWYYQBZGCIVAV-NEPJUHHUSA-N 2 2 271.430 0.586 20 0 CCADLP [NH3+]CCOCC[NH+]1CCN(CC(F)(F)F)CC1 ZINC000093232468 349533961 /nfs/dbraw/zinc/53/39/61/349533961.db2.gz FOTURCJIIWTXOT-UHFFFAOYSA-N 2 2 255.284 0.142 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCOCC23CCCC3)CC1 ZINC000093241362 349533979 /nfs/dbraw/zinc/53/39/79/349533979.db2.gz INULJMKKYGEWLC-UHFFFAOYSA-N 2 2 281.400 0.405 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCOCC23CCCC3)CC1 ZINC000093241362 349533984 /nfs/dbraw/zinc/53/39/84/349533984.db2.gz INULJMKKYGEWLC-UHFFFAOYSA-N 2 2 281.400 0.405 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCc3cccc(F)c3C2)CC1 ZINC000093256907 349533628 /nfs/dbraw/zinc/53/36/28/349533628.db2.gz FZQOETKPTKKMJB-UHFFFAOYSA-N 2 2 291.370 0.958 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCc3cccc(F)c3C2)CC1 ZINC000093256907 349533630 /nfs/dbraw/zinc/53/36/30/349533630.db2.gz FZQOETKPTKKMJB-UHFFFAOYSA-N 2 2 291.370 0.958 20 0 CCADLP Cc1n[nH]cc1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000093665442 349548927 /nfs/dbraw/zinc/54/89/27/349548927.db2.gz MPFHNMAGMLEKFJ-CYBMUJFWSA-N 2 2 264.373 0.872 20 0 CCADLP Cc1n[nH]cc1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000093665442 349548932 /nfs/dbraw/zinc/54/89/32/349548932.db2.gz MPFHNMAGMLEKFJ-CYBMUJFWSA-N 2 2 264.373 0.872 20 0 CCADLP C[N@H+](CC(=O)NC(=O)NC1CCCC1)CC(C)(C)C[NH3+] ZINC000093874285 349554595 /nfs/dbraw/zinc/55/45/95/349554595.db2.gz WHOZGPGKWBPZSC-UHFFFAOYSA-N 2 2 284.404 0.672 20 0 CCADLP C[N@@H+](CC(=O)NC(=O)NC1CCCC1)CC(C)(C)C[NH3+] ZINC000093874285 349554598 /nfs/dbraw/zinc/55/45/98/349554598.db2.gz WHOZGPGKWBPZSC-UHFFFAOYSA-N 2 2 284.404 0.672 20 0 CCADLP COc1ccccc1CNC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000094341913 349567309 /nfs/dbraw/zinc/56/73/09/349567309.db2.gz XVHSYYDDKQFFHL-JSGCOSHPSA-N 2 2 291.395 0.981 20 0 CCADLP COc1ccccc1CNC(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000094341913 349567313 /nfs/dbraw/zinc/56/73/13/349567313.db2.gz XVHSYYDDKQFFHL-JSGCOSHPSA-N 2 2 291.395 0.981 20 0 CCADLP CCOC(=O)c1cccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000600135577 361874767 /nfs/dbraw/zinc/87/47/67/361874767.db2.gz ZLFMQQIWELFNRS-RYUDHWBXSA-N 2 2 275.352 0.910 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CCO1 ZINC000418604941 529392831 /nfs/dbraw/zinc/39/28/31/529392831.db2.gz YDLDDEGDTBVNJH-MGPQQGTHSA-N 2 2 298.431 0.394 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CCO1 ZINC000418604941 529392833 /nfs/dbraw/zinc/39/28/33/529392833.db2.gz YDLDDEGDTBVNJH-MGPQQGTHSA-N 2 2 298.431 0.394 20 0 CCADLP COC[C@@H](O)C[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000346629194 536734870 /nfs/dbraw/zinc/73/48/70/536734870.db2.gz RYCZVXWLSSEJFK-ZDUSSCGKSA-N 2 2 265.357 0.519 20 0 CCADLP C[C@H]([NH3+])C1CC[NH+](Cc2nnnn2C2CC2)CC1 ZINC000104134132 349709201 /nfs/dbraw/zinc/70/92/01/349709201.db2.gz FWDYQOBEVDKPOS-VIFPVBQESA-N 2 2 250.350 0.567 20 0 CCADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)NC1CCCCCC1 ZINC000107574022 349738066 /nfs/dbraw/zinc/73/80/66/349738066.db2.gz VRWBNKKFBOXOTL-CHWSQXEVSA-N 2 2 265.401 0.977 20 0 CCADLP COc1ccccc1CNC(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107576816 349738504 /nfs/dbraw/zinc/73/85/04/349738504.db2.gz VXGAMEJEGNGMMT-KBPBESRZSA-N 2 2 289.379 0.463 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000126234992 187225884 /nfs/dbraw/zinc/22/58/84/187225884.db2.gz INAZGOZRWBHDJE-AGIUHOORSA-N 2 2 269.389 0.211 20 0 CCADLP COc1cc(NCC[NH+]2CCC([NH+](C)C)CC2)ncn1 ZINC000126349844 187234065 /nfs/dbraw/zinc/23/40/65/187234065.db2.gz WEVSEWIVRPBOGX-UHFFFAOYSA-N 2 2 279.388 0.923 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000600987535 362117511 /nfs/dbraw/zinc/11/75/11/362117511.db2.gz BEGAZPRDIQTBBW-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCCC[N@H+]1C ZINC000600987535 362117517 /nfs/dbraw/zinc/11/75/17/362117517.db2.gz BEGAZPRDIQTBBW-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP CS[C@H]1CN(c2nc(C)[nH+]c(N)n2)C[C@H]1[NH+]1CCCC1 ZINC000601145841 362158252 /nfs/dbraw/zinc/15/82/52/362158252.db2.gz SNZLEIAZXUZZNA-MNOVXSKESA-N 2 2 294.428 0.609 20 0 CCADLP CC[N@H+](CC(=O)NCC[NH+]1C[C@H](C)OC[C@H]1C)C1CC1 ZINC000617730349 365741360 /nfs/dbraw/zinc/74/13/60/365741360.db2.gz LSKCLECDRIXAAR-OLZOCXBDSA-N 2 2 283.416 0.696 20 0 CCADLP CC[N@@H+](CC(=O)NCC[NH+]1C[C@H](C)OC[C@H]1C)C1CC1 ZINC000617730349 365741365 /nfs/dbraw/zinc/74/13/65/365741365.db2.gz LSKCLECDRIXAAR-OLZOCXBDSA-N 2 2 283.416 0.696 20 0 CCADLP CC[NH+](CC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C)C1CC1 ZINC000617730349 365741372 /nfs/dbraw/zinc/74/13/72/365741372.db2.gz LSKCLECDRIXAAR-OLZOCXBDSA-N 2 2 283.416 0.696 20 0 CCADLP CC[NH+](CC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C)C1CC1 ZINC000617730349 365741379 /nfs/dbraw/zinc/74/13/79/365741379.db2.gz LSKCLECDRIXAAR-OLZOCXBDSA-N 2 2 283.416 0.696 20 0 CCADLP CCOC(=O)c1ncc(C[NH2+]C2(CO)CC[NH2+]CC2)s1 ZINC000601326049 362221633 /nfs/dbraw/zinc/22/16/33/362221633.db2.gz QOXNMFAYPMBXRH-UHFFFAOYSA-N 2 2 299.396 0.524 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NCC[NH+]1C[C@@H](C)OC[C@@H]1C ZINC000617735553 365746333 /nfs/dbraw/zinc/74/63/33/365746333.db2.gz QZONOASVRJXXTM-QWHCGFSZSA-N 2 2 271.405 0.552 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NCC[NH+]1C[C@@H](C)OC[C@@H]1C ZINC000617735553 365746339 /nfs/dbraw/zinc/74/63/39/365746339.db2.gz QZONOASVRJXXTM-QWHCGFSZSA-N 2 2 271.405 0.552 20 0 CCADLP CC(C)[NH+](C)CC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617735553 365746342 /nfs/dbraw/zinc/74/63/42/365746342.db2.gz QZONOASVRJXXTM-QWHCGFSZSA-N 2 2 271.405 0.552 20 0 CCADLP CC(C)[NH+](C)CC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617735553 365746349 /nfs/dbraw/zinc/74/63/49/365746349.db2.gz QZONOASVRJXXTM-QWHCGFSZSA-N 2 2 271.405 0.552 20 0 CCADLP C[C@H](CCNC(=O)CCc1c[nH+]cn1C)[NH+](C)C ZINC000617757941 365760526 /nfs/dbraw/zinc/76/05/26/365760526.db2.gz DMFSBPAKXXWPEZ-LLVKDONJSA-N 2 2 252.362 0.809 20 0 CCADLP Cn1cccc1C(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617763914 365766843 /nfs/dbraw/zinc/76/68/43/365766843.db2.gz BDWSNMRFQZJASL-UHFFFAOYSA-N 2 2 294.399 0.208 20 0 CCADLP Cn1cccc1C(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617763914 365766848 /nfs/dbraw/zinc/76/68/48/365766848.db2.gz BDWSNMRFQZJASL-UHFFFAOYSA-N 2 2 294.399 0.208 20 0 CCADLP Cc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)ncn1 ZINC000617765902 365770740 /nfs/dbraw/zinc/77/07/40/365770740.db2.gz VLUAMWSAZSDJHF-UHFFFAOYSA-N 2 2 279.388 0.398 20 0 CCADLP Cc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)ncn1 ZINC000617765902 365770746 /nfs/dbraw/zinc/77/07/46/365770746.db2.gz VLUAMWSAZSDJHF-UHFFFAOYSA-N 2 2 279.388 0.398 20 0 CCADLP Cc1cc(CO)oc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764388 365768981 /nfs/dbraw/zinc/76/89/81/365768981.db2.gz UXAVXZSZISHORV-UHFFFAOYSA-N 2 2 297.399 0.694 20 0 CCADLP Cc1cc(CO)oc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764388 365768984 /nfs/dbraw/zinc/76/89/84/365768984.db2.gz UXAVXZSZISHORV-UHFFFAOYSA-N 2 2 297.399 0.694 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccncc1F ZINC000617766237 365771283 /nfs/dbraw/zinc/77/12/83/365771283.db2.gz CNUQNRIGJVEYII-UHFFFAOYSA-N 2 2 282.363 0.834 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccncc1F ZINC000617766237 365771286 /nfs/dbraw/zinc/77/12/86/365771286.db2.gz CNUQNRIGJVEYII-UHFFFAOYSA-N 2 2 282.363 0.834 20 0 CCADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000423860307 529788479 /nfs/dbraw/zinc/78/84/79/529788479.db2.gz AJMQEDIBTPXSIV-GJZGRUSLSA-N 2 2 295.427 0.555 20 0 CCADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000423860307 529788481 /nfs/dbraw/zinc/78/84/81/529788481.db2.gz AJMQEDIBTPXSIV-GJZGRUSLSA-N 2 2 295.427 0.555 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000423740722 529789726 /nfs/dbraw/zinc/78/97/26/529789726.db2.gz GYCCGBXUIRVMMJ-HZSPNIEDSA-N 2 2 283.416 0.731 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000423740722 529789727 /nfs/dbraw/zinc/78/97/27/529789727.db2.gz GYCCGBXUIRVMMJ-HZSPNIEDSA-N 2 2 283.416 0.731 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000114478217 349832775 /nfs/dbraw/zinc/83/27/75/349832775.db2.gz AHPKYQQLVCTLAB-LSDHHAIUSA-N 3 2 296.459 0.423 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000114478217 349832777 /nfs/dbraw/zinc/83/27/77/349832777.db2.gz AHPKYQQLVCTLAB-LSDHHAIUSA-N 3 2 296.459 0.423 20 0 CCADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)NCC[NH+]3CCOCC3)[C@@H]2C1 ZINC000424068760 529822281 /nfs/dbraw/zinc/82/22/81/529822281.db2.gz NXBCTIGCUHRGBI-UONOGXRCSA-N 2 2 296.415 0.054 20 0 CCADLP C[N@H+]1C[C@@H]2CCCN(C(=O)NCC[NH+]3CCOCC3)[C@@H]2C1 ZINC000424068760 529822283 /nfs/dbraw/zinc/82/22/83/529822283.db2.gz NXBCTIGCUHRGBI-UONOGXRCSA-N 2 2 296.415 0.054 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+]([C@H]3CCN(C)C3=O)CC2)c1 ZINC000116277636 349866622 /nfs/dbraw/zinc/86/66/22/349866622.db2.gz CNJUICLOUYJURL-ZDUSSCGKSA-N 2 2 290.367 0.443 20 0 CCADLP C[NH+](C)C[C@@H]1CCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000127072011 187280364 /nfs/dbraw/zinc/28/03/64/187280364.db2.gz SGHXJBVCKXKHOJ-LBPRGKRZSA-N 2 2 265.361 0.476 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CC2(O)CCCC2)n1C ZINC000087016635 282320752 /nfs/dbraw/zinc/32/07/52/282320752.db2.gz FTKHSSAFGGYJFN-UHFFFAOYSA-N 2 2 252.362 0.881 20 0 CCADLP C[NH2+]CCNC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000417986356 529977234 /nfs/dbraw/zinc/97/72/34/529977234.db2.gz IGDIWZGFSIJBAH-UHFFFAOYSA-N 2 2 261.329 0.661 20 0 CCADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000602018955 362459280 /nfs/dbraw/zinc/45/92/80/362459280.db2.gz COZAZNOGUXJZHD-NOOOWODRSA-N 2 2 285.388 0.173 20 0 CCADLP C[N@@H+]1CCC[C@@H](N2CCN(Cc3c[nH+]c[nH]3)CC2)C1 ZINC000367471988 530055029 /nfs/dbraw/zinc/05/50/29/530055029.db2.gz ANDRSWWHQJAHDH-CQSZACIVSA-N 2 2 263.389 0.622 20 0 CCADLP C[N@H+]1CCC[C@@H](N2CCN(Cc3c[nH+]c[nH]3)CC2)C1 ZINC000367471988 530055030 /nfs/dbraw/zinc/05/50/30/530055030.db2.gz ANDRSWWHQJAHDH-CQSZACIVSA-N 2 2 263.389 0.622 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCc3c2cccc3O)CC1 ZINC000451173194 530068378 /nfs/dbraw/zinc/06/83/78/530068378.db2.gz ADUVOKLNUVMXMO-AWEZNQCLSA-N 2 2 289.379 0.743 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](CCCOc2ccc3c(c2)OCO3)CCO1 ZINC000358144566 232050906 /nfs/dbraw/zinc/05/09/06/232050906.db2.gz CSKRCXRZNSABEE-ZDUSSCGKSA-N 2 2 294.351 0.844 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CCCOc2ccc3c(c2)OCO3)CCO1 ZINC000358144566 232050908 /nfs/dbraw/zinc/05/09/08/232050908.db2.gz CSKRCXRZNSABEE-ZDUSSCGKSA-N 2 2 294.351 0.844 20 0 CCADLP CO[C@H]1CC[N@H+](CCC(=O)Nc2cccnc2)[C@@H](C[NH3+])C1 ZINC000358359804 232087854 /nfs/dbraw/zinc/08/78/54/232087854.db2.gz SBDSLFNOPDKEFA-KGLIPLIRSA-N 2 2 292.383 0.848 20 0 CCADLP CO[C@H]1CC[N@@H+](CCC(=O)Nc2cccnc2)[C@@H](C[NH3+])C1 ZINC000358359804 232087857 /nfs/dbraw/zinc/08/78/57/232087857.db2.gz SBDSLFNOPDKEFA-KGLIPLIRSA-N 2 2 292.383 0.848 20 0 CCADLP CC[C@H](OC)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602204115 362556471 /nfs/dbraw/zinc/55/64/71/362556471.db2.gz SBTBPVIZECRNSE-OCCSQVGLSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@H](OC)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602204115 362556477 /nfs/dbraw/zinc/55/64/77/362556477.db2.gz SBTBPVIZECRNSE-OCCSQVGLSA-N 2 2 283.416 0.696 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H](O)COC1CCOCC1 ZINC000119328045 349930242 /nfs/dbraw/zinc/93/02/42/349930242.db2.gz UIENLHWLUQZMEO-CQSZACIVSA-N 2 2 297.399 0.762 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H](O)COC1CCOCC1 ZINC000119328045 349930244 /nfs/dbraw/zinc/93/02/44/349930244.db2.gz UIENLHWLUQZMEO-CQSZACIVSA-N 2 2 297.399 0.762 20 0 CCADLP C[C@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000119475231 349938537 /nfs/dbraw/zinc/93/85/37/349938537.db2.gz PUJNVTPYBGHQQR-UKRRQHHQSA-N 2 2 291.395 0.913 20 0 CCADLP c1cn(CC[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)c[nH+]1 ZINC000367571489 232389820 /nfs/dbraw/zinc/38/98/20/232389820.db2.gz AXRUGROZEXHLNP-QWHCGFSZSA-N 2 2 251.330 0.763 20 0 CCADLP c1cn(CC[N@H+]2CCOC[C@H]2[C@H]2CCCO2)c[nH+]1 ZINC000367571489 232389826 /nfs/dbraw/zinc/38/98/26/232389826.db2.gz AXRUGROZEXHLNP-QWHCGFSZSA-N 2 2 251.330 0.763 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@@]2(CC)CC[NH2+]C2)CC1 ZINC000119592989 349943498 /nfs/dbraw/zinc/94/34/98/349943498.db2.gz GWSHANJJMBKXDH-HNNXBMFYSA-N 2 2 283.416 0.557 20 0 CCADLP COC(=O)c1csc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000602614484 362714683 /nfs/dbraw/zinc/71/46/83/362714683.db2.gz ZVINBBCKNDGRRD-ZDUSSCGKSA-N 2 2 284.381 0.691 20 0 CCADLP COC(=O)c1csc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000602614484 362714687 /nfs/dbraw/zinc/71/46/87/362714687.db2.gz ZVINBBCKNDGRRD-ZDUSSCGKSA-N 2 2 284.381 0.691 20 0 CCADLP CCN(C#N)CC[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000602777346 362796465 /nfs/dbraw/zinc/79/64/65/362796465.db2.gz VWKPJFHUSZZPOD-OAHLLOKOSA-N 2 2 279.432 0.501 20 0 CCADLP CCN(C#N)CC[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000602777346 362796467 /nfs/dbraw/zinc/79/64/67/362796467.db2.gz VWKPJFHUSZZPOD-OAHLLOKOSA-N 2 2 279.432 0.501 20 0 CCADLP C[C@@H](C(N)=O)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249534432 137000064 /nfs/dbraw/zinc/00/00/64/137000064.db2.gz CALYHJXVGUZTRV-BBRMVZONSA-N 2 2 291.395 0.429 20 0 CCADLP C[C@@H](C(N)=O)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249534432 137000065 /nfs/dbraw/zinc/00/00/65/137000065.db2.gz CALYHJXVGUZTRV-BBRMVZONSA-N 2 2 291.395 0.429 20 0 CCADLP C[C@@H](C(N)=O)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249534432 137000066 /nfs/dbraw/zinc/00/00/66/137000066.db2.gz CALYHJXVGUZTRV-BBRMVZONSA-N 2 2 291.395 0.429 20 0 CCADLP C[C@@H](C(N)=O)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249534432 137000067 /nfs/dbraw/zinc/00/00/67/137000067.db2.gz CALYHJXVGUZTRV-BBRMVZONSA-N 2 2 291.395 0.429 20 0 CCADLP CCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000262705115 137051014 /nfs/dbraw/zinc/05/10/14/137051014.db2.gz LMJXBLRFAWUSQB-SRVKXCTJSA-N 2 2 257.378 0.339 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)N1CC[NH+](CCOCC)CC1 ZINC000262717024 137051607 /nfs/dbraw/zinc/05/16/07/137051607.db2.gz VYQURCSPQOLBSP-AWEZNQCLSA-N 2 2 271.405 0.685 20 0 CCADLP C[C@@H]([NH3+])CC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000261747480 137018093 /nfs/dbraw/zinc/01/80/93/137018093.db2.gz HBHNXRJSHDDPDT-UKRRQHHQSA-N 2 2 291.395 0.913 20 0 CCADLP Cc1cc(N2CC[C@@H]([N@@H+]3CC[C@@](C)(C[NH3+])C3)C2=O)n(C)n1 ZINC000261768022 137019052 /nfs/dbraw/zinc/01/90/52/137019052.db2.gz MDIQNFZMYHTJKO-DOMZBBRYSA-N 2 2 291.399 0.505 20 0 CCADLP Cc1cc(N2CC[C@@H]([N@H+]3CC[C@@](C)(C[NH3+])C3)C2=O)n(C)n1 ZINC000261768022 137019053 /nfs/dbraw/zinc/01/90/53/137019053.db2.gz MDIQNFZMYHTJKO-DOMZBBRYSA-N 2 2 291.399 0.505 20 0 CCADLP C[C@H]([NH3+])CC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000261801815 137020649 /nfs/dbraw/zinc/02/06/49/137020649.db2.gz MQARKILACVXRLZ-JTQLQIEISA-N 2 2 259.313 0.621 20 0 CCADLP C[C@@H](CNC(=O)CC[C@@H]1CC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000261840745 137022097 /nfs/dbraw/zinc/02/20/97/137022097.db2.gz NUFOISLEDLKJGP-UONOGXRCSA-N 2 2 282.432 0.128 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000261881200 137023595 /nfs/dbraw/zinc/02/35/95/137023595.db2.gz ZDEIVYIOYRGNJN-RRFJBIMHSA-N 2 2 295.427 0.827 20 0 CCADLP C[C@@H](CNC(=O)CC[C@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000261904538 137025354 /nfs/dbraw/zinc/02/53/54/137025354.db2.gz ZTTXXCWCVXCBQS-STQMWFEESA-N 2 2 269.389 0.213 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@H]2CC23CC[NH2+]CC3)CCO1 ZINC000261920775 137026301 /nfs/dbraw/zinc/02/63/01/137026301.db2.gz IVLKBGQMJPZHJF-CYBMUJFWSA-N 2 2 295.427 0.603 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@H]2CC23CC[NH2+]CC3)CCO1 ZINC000261920775 137026302 /nfs/dbraw/zinc/02/63/02/137026302.db2.gz IVLKBGQMJPZHJF-CYBMUJFWSA-N 2 2 295.427 0.603 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000261979125 137026827 /nfs/dbraw/zinc/02/68/27/137026827.db2.gz VYJXONFAQRPYJL-OLZOCXBDSA-N 2 2 281.400 0.213 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000261979125 137026828 /nfs/dbraw/zinc/02/68/28/137026828.db2.gz VYJXONFAQRPYJL-OLZOCXBDSA-N 2 2 281.400 0.213 20 0 CCADLP COc1ccccc1C[NH+]1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000262157627 137029012 /nfs/dbraw/zinc/02/90/12/137029012.db2.gz ATESCMYYCJROOH-UHFFFAOYSA-N 2 2 289.379 0.559 20 0 CCADLP CC(C)OCC[NH+]1CCN(Cc2noc(C[NH3+])n2)CC1 ZINC000262169621 137029195 /nfs/dbraw/zinc/02/91/95/137029195.db2.gz HOMOHYLLIIPJPF-UHFFFAOYSA-N 2 2 283.376 0.071 20 0 CCADLP COC[C@H]([NH3+])C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000262333745 137038918 /nfs/dbraw/zinc/03/89/18/137038918.db2.gz RXCJWNQVDVHIDA-QWRGUYRKSA-N 2 2 294.399 0.585 20 0 CCADLP CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C[C@@H]1CCCO1 ZINC000311126592 137074307 /nfs/dbraw/zinc/07/43/07/137074307.db2.gz YUVIVFVQTIXCFM-KBPBESRZSA-N 2 2 256.390 0.942 20 0 CCADLP CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C[C@@H]1CCCO1 ZINC000311126592 137074308 /nfs/dbraw/zinc/07/43/08/137074308.db2.gz YUVIVFVQTIXCFM-KBPBESRZSA-N 2 2 256.390 0.942 20 0 CCADLP CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C[C@@H]1CCCO1 ZINC000311126592 137074309 /nfs/dbraw/zinc/07/43/09/137074309.db2.gz YUVIVFVQTIXCFM-KBPBESRZSA-N 2 2 256.390 0.942 20 0 CCADLP CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C[C@@H]1CCCO1 ZINC000311126592 137074310 /nfs/dbraw/zinc/07/43/10/137074310.db2.gz YUVIVFVQTIXCFM-KBPBESRZSA-N 2 2 256.390 0.942 20 0 CCADLP C[N@@H+](CC(=O)NCc1ccc(Cl)cc1)C[C@@H](O)C[NH3+] ZINC000311931136 137075976 /nfs/dbraw/zinc/07/59/76/137075976.db2.gz USBWKNGKDXYDKA-LBPRGKRZSA-N 2 2 285.775 0.208 20 0 CCADLP C[N@H+](CC(=O)NCc1ccc(Cl)cc1)C[C@@H](O)C[NH3+] ZINC000311931136 137075977 /nfs/dbraw/zinc/07/59/77/137075977.db2.gz USBWKNGKDXYDKA-LBPRGKRZSA-N 2 2 285.775 0.208 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000311972266 137076541 /nfs/dbraw/zinc/07/65/41/137076541.db2.gz KARVJCDSVFCCHY-TZMCWYRMSA-N 2 2 269.389 0.213 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000311972266 137076542 /nfs/dbraw/zinc/07/65/42/137076542.db2.gz KARVJCDSVFCCHY-TZMCWYRMSA-N 2 2 269.389 0.213 20 0 CCADLP CCC[C@@H](C(=O)OCC)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000312232080 137076962 /nfs/dbraw/zinc/07/69/62/137076962.db2.gz DAXDUFVCMDWNOO-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP [NH3+][C@@H](CC(F)F)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000312587234 137077248 /nfs/dbraw/zinc/07/72/48/137077248.db2.gz DELLMMSZUVTRBV-JTQLQIEISA-N 2 2 284.310 0.713 20 0 CCADLP C[C@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CCC[N@@H+]1C ZINC000343498805 137138999 /nfs/dbraw/zinc/13/89/99/137138999.db2.gz HENKDXVNDUAKRV-RYUDHWBXSA-N 2 2 250.346 0.872 20 0 CCADLP C[C@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CCC[N@H+]1C ZINC000343498805 137139000 /nfs/dbraw/zinc/13/90/00/137139000.db2.gz HENKDXVNDUAKRV-RYUDHWBXSA-N 2 2 250.346 0.872 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]C[C@@H](O)COCC(C)C)[C@@H](C)C1 ZINC000343714442 137152030 /nfs/dbraw/zinc/15/20/30/137152030.db2.gz NYNZTBAQBFIBMN-MJBXVCDLSA-N 2 2 258.406 0.950 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]C[C@@H](O)COCC(C)C)[C@@H](C)C1 ZINC000343714442 137152031 /nfs/dbraw/zinc/15/20/31/137152031.db2.gz NYNZTBAQBFIBMN-MJBXVCDLSA-N 2 2 258.406 0.950 20 0 CCADLP CC(C)c1nc(N[C@H](C)C[NH+](C)C)nc(N(C)C)[nH+]1 ZINC000343800729 137158347 /nfs/dbraw/zinc/15/83/47/137158347.db2.gz ZHGGDMXTYBUCGB-SNVBAGLBSA-N 2 2 266.393 0.845 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC1=CC[N@H+](C)CC1 ZINC000343412973 137132842 /nfs/dbraw/zinc/13/28/42/137132842.db2.gz PUOYWOOIXMIXLG-ZDUSSCGKSA-N 2 2 296.415 0.268 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000343412973 137132843 /nfs/dbraw/zinc/13/28/43/137132843.db2.gz PUOYWOOIXMIXLG-ZDUSSCGKSA-N 2 2 296.415 0.268 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)[C@@H]1[NH2+]CCO[C@@H]1C ZINC000344470223 137196130 /nfs/dbraw/zinc/19/61/30/137196130.db2.gz GNCDYMCSWWSFKK-ZYHUDNBSSA-N 2 2 266.345 0.075 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1[NH2+]CCO[C@@H]1C)Cn1cc[nH+]c1 ZINC000344480377 137196774 /nfs/dbraw/zinc/19/67/74/137196774.db2.gz GWJDEHAPKKYPNY-IJLUTSLNSA-N 2 2 266.345 0.012 20 0 CCADLP CC[N@@H+]1CC[C@H]2OCCN(Cc3c[nH+]cn3C)[C@@H]2C1 ZINC000339387952 215138387 /nfs/dbraw/zinc/13/83/87/215138387.db2.gz RVDWFZLBAHUTKV-ZIAGYGMSSA-N 2 2 264.373 0.715 20 0 CCADLP CC[N@H+]1CC[C@H]2OCCN(Cc3c[nH+]cn3C)[C@@H]2C1 ZINC000339387952 215138389 /nfs/dbraw/zinc/13/83/89/215138389.db2.gz RVDWFZLBAHUTKV-ZIAGYGMSSA-N 2 2 264.373 0.715 20 0 CCADLP c1cnc(N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)nc1 ZINC000020072888 348076912 /nfs/dbraw/zinc/07/69/12/348076912.db2.gz QLQTXMNUGLQNPA-ZDUSSCGKSA-N 2 2 261.373 0.598 20 0 CCADLP CCC(=O)N1CC[C@H]([NH2+][C@@H]2C[N@H+](CC)C[C@@H]2C)C1 ZINC000344768791 137212234 /nfs/dbraw/zinc/21/22/34/137212234.db2.gz FORZPKZYYIFHQA-RWMBFGLXSA-N 2 2 253.390 0.927 20 0 CCADLP CCC(=O)N1CC[C@H]([NH2+][C@@H]2C[N@@H+](CC)C[C@@H]2C)C1 ZINC000344768791 137212235 /nfs/dbraw/zinc/21/22/35/137212235.db2.gz FORZPKZYYIFHQA-RWMBFGLXSA-N 2 2 253.390 0.927 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000037008725 348178715 /nfs/dbraw/zinc/17/87/15/348178715.db2.gz URRKWSMZQXGMIZ-ZFWWWQNUSA-N 2 2 291.395 0.913 20 0 CCADLP Cc1cccn2cc(CC(=O)N3CC[NH2+]CC3)[nH+]c12 ZINC000031946272 348129525 /nfs/dbraw/zinc/12/95/25/348129525.db2.gz GSRWTGJXORWZLC-UHFFFAOYSA-N 2 2 258.325 0.617 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NC(=O)NC1CC1 ZINC000037917898 348218306 /nfs/dbraw/zinc/21/83/06/348218306.db2.gz CYKZRLDXYFIILI-DGCLKSJQSA-N 2 2 294.399 0.439 20 0 CCADLP O=C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NC(=O)NC1CC1 ZINC000037917898 348218309 /nfs/dbraw/zinc/21/83/09/348218309.db2.gz CYKZRLDXYFIILI-DGCLKSJQSA-N 2 2 294.399 0.439 20 0 CCADLP O=C(CC[NH2+]C1CC1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000037800391 348205734 /nfs/dbraw/zinc/20/57/34/348205734.db2.gz VKJRYJWZFZRCDL-UHFFFAOYSA-N 2 2 288.395 0.868 20 0 CCADLP O=C([C@H]1CCC[NH2+]C1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000037818440 348210158 /nfs/dbraw/zinc/21/01/58/348210158.db2.gz KODQYRBQPCGDRY-HNNXBMFYSA-N 2 2 288.395 0.725 20 0 CCADLP CC[NH+]1CCN(CC(=O)N(C)Cc2[nH+]ccn2C)CC1 ZINC000339432759 215163570 /nfs/dbraw/zinc/16/35/70/215163570.db2.gz IVURRTMIAOTBLF-UHFFFAOYSA-N 2 2 279.388 0.016 20 0 CCADLP O=C(C[NH2+]C1CC1)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000040431046 348233880 /nfs/dbraw/zinc/23/38/80/348233880.db2.gz LUNWICNLLGGDFF-UHFFFAOYSA-N 2 2 290.367 0.286 20 0 CCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)NCC[NH+]1CCC1 ZINC000345897375 137258578 /nfs/dbraw/zinc/25/85/78/137258578.db2.gz ZZEWQMTYKIBBDG-KGLIPLIRSA-N 2 2 288.395 0.976 20 0 CCADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000345745433 137250305 /nfs/dbraw/zinc/25/03/05/137250305.db2.gz VCAWKDHPURCOOI-MNOVXSKESA-N 2 2 291.342 0.211 20 0 CCADLP CC[C@H](C(=O)N[C@@H](C)C[NH+]1CCOCC1)[NH+](CC)CC ZINC000345789621 137253131 /nfs/dbraw/zinc/25/31/31/137253131.db2.gz DOCUYYSDJLWKSH-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP CC[C@H](C(=O)N(C)CC[NH+]1CCOCC1)[NH+](CC)CC ZINC000345808695 137254169 /nfs/dbraw/zinc/25/41/69/137254169.db2.gz RXLAXZGANBULIN-CQSZACIVSA-N 2 2 285.432 0.897 20 0 CCADLP COCCc1noc(C[N@H+](C)CCn2cc[nH+]c2C)n1 ZINC000346334027 137279517 /nfs/dbraw/zinc/27/95/17/137279517.db2.gz XBIROPGGFDGBHG-UHFFFAOYSA-N 2 2 279.344 0.895 20 0 CCADLP COCCc1noc(C[N@@H+](C)CCn2cc[nH+]c2C)n1 ZINC000346334027 137279518 /nfs/dbraw/zinc/27/95/18/137279518.db2.gz XBIROPGGFDGBHG-UHFFFAOYSA-N 2 2 279.344 0.895 20 0 CCADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nnnn2C)[C@H](C)C1 ZINC000346557869 137292512 /nfs/dbraw/zinc/29/25/12/137292512.db2.gz IVXXACRJQNHMRN-CHWSQXEVSA-N 2 2 296.419 0.437 20 0 CCADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nnnn2C)[C@H](C)C1 ZINC000346557869 137292513 /nfs/dbraw/zinc/29/25/13/137292513.db2.gz IVXXACRJQNHMRN-CHWSQXEVSA-N 2 2 296.419 0.437 20 0 CCADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cn(Cc2cccnc2)nn1 ZINC000346671890 137298283 /nfs/dbraw/zinc/29/82/83/137298283.db2.gz HPJQICDFCHIMDN-GXTWGEPZSA-N 2 2 286.383 0.891 20 0 CCADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cn(Cc2cccnc2)nn1 ZINC000346671890 137298284 /nfs/dbraw/zinc/29/82/84/137298284.db2.gz HPJQICDFCHIMDN-GXTWGEPZSA-N 2 2 286.383 0.891 20 0 CCADLP O=C(NCCn1cc[nH+]c1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000044427094 348319478 /nfs/dbraw/zinc/31/94/78/348319478.db2.gz IMLXNVFCGGGHEU-CQSZACIVSA-N 2 2 270.336 0.886 20 0 CCADLP CC(C)(C[NH3+])C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000044751311 348325784 /nfs/dbraw/zinc/32/57/84/348325784.db2.gz MWUWHEIVEMXFRN-UHFFFAOYSA-N 2 2 262.357 0.715 20 0 CCADLP CC[C@@H](C)NC(=O)CN1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346816984 137305968 /nfs/dbraw/zinc/30/59/68/137305968.db2.gz BKIGVKVMXWMBJV-CABCVRRESA-N 2 2 296.459 0.518 20 0 CCADLP C[N@H+](CCO)C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346818066 137306068 /nfs/dbraw/zinc/30/60/68/137306068.db2.gz AKFGJRBYGPHPFH-ZDUSSCGKSA-N 3 2 255.406 0.375 20 0 CCADLP C[N@@H+](CCO)C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346818066 137306069 /nfs/dbraw/zinc/30/60/69/137306069.db2.gz AKFGJRBYGPHPFH-ZDUSSCGKSA-N 3 2 255.406 0.375 20 0 CCADLP CC[C@@H](C)NC(=O)C[NH+]1CCN(CC(C)(C)[NH3+])CC1 ZINC000346822454 137306522 /nfs/dbraw/zinc/30/65/22/137306522.db2.gz MKJUWHYULKIFAU-GFCCVEGCSA-N 2 2 270.421 0.256 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)OC[C@@H]2C)CC1 ZINC000045839080 348343727 /nfs/dbraw/zinc/34/37/27/348343727.db2.gz RAWZQPNLNJMVTM-STQMWFEESA-N 2 2 283.416 0.696 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C)OC[C@@H]2C)CC1 ZINC000045839080 348343730 /nfs/dbraw/zinc/34/37/30/348343730.db2.gz RAWZQPNLNJMVTM-STQMWFEESA-N 2 2 283.416 0.696 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)CCCC[NH+]1CCOCC1 ZINC000347509107 137340731 /nfs/dbraw/zinc/34/07/31/137340731.db2.gz BLVDXYNRBPSMRH-UHFFFAOYSA-N 2 2 280.372 0.871 20 0 CCADLP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000347528502 137341804 /nfs/dbraw/zinc/34/18/04/137341804.db2.gz IEUDWVMWVMMBGW-AAEUAGOBSA-N 2 2 266.389 0.836 20 0 CCADLP CCOC(=O)[C@H]([NH2+]CCn1cc[nH+]c1)[C@@H]1CCCOC1 ZINC000347600008 137344884 /nfs/dbraw/zinc/34/48/84/137344884.db2.gz ZGBXPTTWEHXRNT-CHWSQXEVSA-N 2 2 281.356 0.831 20 0 CCADLP C[C@H](C[NH3+])C(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000054344993 348553264 /nfs/dbraw/zinc/55/32/64/348553264.db2.gz CHJGZWYVBGUPML-VXGBXAGGSA-N 2 2 297.424 0.832 20 0 CCADLP C[N@H+](CCCS(C)(=O)=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000063016253 348676113 /nfs/dbraw/zinc/67/61/13/348676113.db2.gz YJBOADAADIPXCJ-FOSCPWQOSA-N 2 2 260.403 0.636 20 0 CCADLP C[N@@H+](CCCS(C)(=O)=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000063016253 348676115 /nfs/dbraw/zinc/67/61/15/348676115.db2.gz YJBOADAADIPXCJ-FOSCPWQOSA-N 2 2 260.403 0.636 20 0 CCADLP C[NH2+]CC1CC[NH+](Cc2nnnn2C2CC2)CC1 ZINC000063165838 348679953 /nfs/dbraw/zinc/67/99/53/348679953.db2.gz ZNYGDSDBALFTGJ-UHFFFAOYSA-N 2 2 250.350 0.439 20 0 CCADLP CN(C)c1[nH+]cc(CNCC(C)(C)[NH+](C)C)n1C ZINC000070142765 348873129 /nfs/dbraw/zinc/87/31/29/348873129.db2.gz WONKBXWWMTVKFE-UHFFFAOYSA-N 2 2 253.394 0.916 20 0 CCADLP Cc1cc(NC(=O)C[NH+]2CCC(CC[NH3+])CC2)no1 ZINC000070188143 348877837 /nfs/dbraw/zinc/87/78/37/348877837.db2.gz FPKNDSXTYSXVFE-UHFFFAOYSA-N 2 2 266.345 0.982 20 0 CCADLP C[C@H]([NH3+])CCC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000070318096 348885767 /nfs/dbraw/zinc/88/57/67/348885767.db2.gz LAVFOKKUCULVEC-RYUDHWBXSA-N 2 2 255.362 0.047 20 0 CCADLP CC(C)C[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC000072971658 348939426 /nfs/dbraw/zinc/93/94/26/348939426.db2.gz YRXWGNWIXAQVLA-UHFFFAOYSA-N 2 2 255.406 0.592 20 0 CCADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1cnn(C)c1 ZINC000076898007 349093477 /nfs/dbraw/zinc/09/34/77/349093477.db2.gz PDOPMDGDAIWINF-LBPRGKRZSA-N 2 2 252.362 0.621 20 0 CCADLP CC[NH+](CC)[C@@H]1CCN(C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000076052979 349066405 /nfs/dbraw/zinc/06/64/05/349066405.db2.gz XRTQCMRDSFSLSY-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@]1(C(=O)N2CCN(c3cccc[nH+]3)CC2)CCC[NH2+]1 ZINC000079510730 349180936 /nfs/dbraw/zinc/18/09/36/349180936.db2.gz FIVLEMSVZRMYDU-OAHLLOKOSA-N 2 2 274.368 0.872 20 0 CCADLP O=C(NCc1[nH]cc[nH+]1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000080626055 349223432 /nfs/dbraw/zinc/22/34/32/349223432.db2.gz RNMNBLVUDMKZPK-GFCCVEGCSA-N 2 2 256.309 0.740 20 0 CCADLP CCC[N@H+](C)C[C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000081569154 349275335 /nfs/dbraw/zinc/27/53/35/349275335.db2.gz SGJLKHJDJYJAGR-OAHLLOKOSA-N 2 2 269.433 0.982 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000081569154 349275337 /nfs/dbraw/zinc/27/53/37/349275337.db2.gz SGJLKHJDJYJAGR-OAHLLOKOSA-N 2 2 269.433 0.982 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCC(=O)N(C)C2)n1C ZINC000084063153 349314226 /nfs/dbraw/zinc/31/42/26/349314226.db2.gz JOUWXJXAAZKFBC-JTQLQIEISA-N 2 2 265.361 0.197 20 0 CCADLP Cc1ccc(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000122565265 350066673 /nfs/dbraw/zinc/06/66/73/350066673.db2.gz MNLUUKXWHJUGLQ-AWEZNQCLSA-N 2 2 261.369 0.639 20 0 CCADLP Cc1ccc(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000122565265 350066679 /nfs/dbraw/zinc/06/66/79/350066679.db2.gz MNLUUKXWHJUGLQ-AWEZNQCLSA-N 2 2 261.369 0.639 20 0 CCADLP C[N@@H+]1CCN(C(=O)Nc2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000122662058 350068066 /nfs/dbraw/zinc/06/80/66/350068066.db2.gz UPZQVYOMPFLBIW-GFCCVEGCSA-N 2 2 266.320 0.932 20 0 CCADLP C[N@H+]1CCN(C(=O)Nc2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000122662058 350068069 /nfs/dbraw/zinc/06/80/69/350068069.db2.gz UPZQVYOMPFLBIW-GFCCVEGCSA-N 2 2 266.320 0.932 20 0 CCADLP CC[C@H]1C[N@H+](CC(=O)NC(=O)NCC(C)C)CC[C@@H]1[NH3+] ZINC000122847897 350070061 /nfs/dbraw/zinc/07/00/61/350070061.db2.gz NPPHJZBJEZYKAW-RYUDHWBXSA-N 2 2 284.404 0.527 20 0 CCADLP CC[C@H]1C[N@@H+](CC(=O)NC(=O)NCC(C)C)CC[C@@H]1[NH3+] ZINC000122847897 350070063 /nfs/dbraw/zinc/07/00/63/350070063.db2.gz NPPHJZBJEZYKAW-RYUDHWBXSA-N 2 2 284.404 0.527 20 0 CCADLP CC[C@H](C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1)[NH+](C)C ZINC000126554428 350149494 /nfs/dbraw/zinc/14/94/94/350149494.db2.gz KUMFVTRCABHYEQ-CABCVRRESA-N 2 2 298.475 0.715 20 0 CCADLP O=C(C[C@@H]1CSCC[NH2+]1)N1CCn2cc[nH+]c2C1 ZINC000091291230 180122877 /nfs/dbraw/zinc/12/28/77/180122877.db2.gz FEZCBRYMHFFEHH-SNVBAGLBSA-N 2 2 266.370 0.320 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000128451027 350193065 /nfs/dbraw/zinc/19/30/65/350193065.db2.gz SGFPINXHJUMPKG-GFCCVEGCSA-N 2 2 286.420 0.773 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000128451027 350193067 /nfs/dbraw/zinc/19/30/67/350193067.db2.gz SGFPINXHJUMPKG-GFCCVEGCSA-N 2 2 286.420 0.773 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1n1cc[nH+]c1 ZINC000271307455 191064315 /nfs/dbraw/zinc/06/43/15/191064315.db2.gz QJWILYRUPHUMPZ-QWHCGFSZSA-N 2 2 262.357 0.998 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1n1cc[nH+]c1 ZINC000271307455 191064317 /nfs/dbraw/zinc/06/43/17/191064317.db2.gz QJWILYRUPHUMPZ-QWHCGFSZSA-N 2 2 262.357 0.998 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1cccnc1 ZINC000129054177 350204429 /nfs/dbraw/zinc/20/44/29/350204429.db2.gz HGXMYHJPPKTNEV-UHFFFAOYSA-N 2 2 262.357 0.287 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1cccnc1 ZINC000129054177 350204431 /nfs/dbraw/zinc/20/44/31/350204431.db2.gz HGXMYHJPPKTNEV-UHFFFAOYSA-N 2 2 262.357 0.287 20 0 CCADLP CC[C@@H]([NH3+])C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000130275949 350234306 /nfs/dbraw/zinc/23/43/06/350234306.db2.gz BDEGRNXQGIMKIZ-HUUCEWRRSA-N 2 2 291.395 0.913 20 0 CCADLP C[C@@H](C(=O)NCCC[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000339701388 215305618 /nfs/dbraw/zinc/30/56/18/215305618.db2.gz HBLZTKBKYLQWAL-AWEZNQCLSA-N 2 2 283.416 0.699 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC(C)(C)N1CCOCC1 ZINC000133415160 350335433 /nfs/dbraw/zinc/33/54/33/350335433.db2.gz CGOLBORJZCXWRK-KGLIPLIRSA-N 2 2 285.432 0.454 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCC[NH+]1CCCC1 ZINC000133440343 350335885 /nfs/dbraw/zinc/33/58/85/350335885.db2.gz FHHTVEHDBMUVKW-UONOGXRCSA-N 3 2 255.406 0.829 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(Cc2[nH+]ccn2C)[C@H](C)C1 ZINC000105911597 186089691 /nfs/dbraw/zinc/08/96/91/186089691.db2.gz ISHDZITVHXEAIM-GFCCVEGCSA-N 2 2 280.372 0.489 20 0 CCADLP COC(=O)CC[N@H+]1CCN(Cc2[nH+]ccn2C)[C@H](C)C1 ZINC000105911597 186089692 /nfs/dbraw/zinc/08/96/92/186089692.db2.gz ISHDZITVHXEAIM-GFCCVEGCSA-N 2 2 280.372 0.489 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000106028507 186099102 /nfs/dbraw/zinc/09/91/02/186099102.db2.gz WOQJDBRZEVSNOO-UHFFFAOYSA-N 2 2 293.415 0.405 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000106028507 186099104 /nfs/dbraw/zinc/09/91/04/186099104.db2.gz WOQJDBRZEVSNOO-UHFFFAOYSA-N 2 2 293.415 0.405 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](CO)CC2)CC1 ZINC000339746364 215324036 /nfs/dbraw/zinc/32/40/36/215324036.db2.gz NWYKGPNKQSXPQC-CABCVRRESA-N 2 2 297.443 0.633 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](CO)CC2)CC1 ZINC000339746364 215324040 /nfs/dbraw/zinc/32/40/40/215324040.db2.gz NWYKGPNKQSXPQC-CABCVRRESA-N 2 2 297.443 0.633 20 0 CCADLP COC(=O)C[C@@H]1C[N@H+](CCCn2cc[nH+]c2)CCO1 ZINC000152034760 350516678 /nfs/dbraw/zinc/51/66/78/350516678.db2.gz IYYJHJYDGDXSAT-GFCCVEGCSA-N 2 2 267.329 0.537 20 0 CCADLP COC(=O)C[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)CCO1 ZINC000152034760 350516681 /nfs/dbraw/zinc/51/66/81/350516681.db2.gz IYYJHJYDGDXSAT-GFCCVEGCSA-N 2 2 267.329 0.537 20 0 CCADLP C(CN1CC[NH+](C2CC2)CC1)CN1CC[NH+](C2CC2)CC1 ZINC000157653548 350647349 /nfs/dbraw/zinc/64/73/49/350647349.db2.gz YLZJLBYROHKDHW-UHFFFAOYSA-N 2 2 292.471 0.937 20 0 CCADLP C[C@H]([NH3+])C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000163868347 350774125 /nfs/dbraw/zinc/77/41/25/350774125.db2.gz JCZUJNOJXNDPHM-GXTWGEPZSA-N 2 2 277.368 0.523 20 0 CCADLP [NH3+]CCC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000163868568 350774403 /nfs/dbraw/zinc/77/44/03/350774403.db2.gz VOFFHILOZRYBDY-CQSZACIVSA-N 2 2 277.368 0.525 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000165254308 350788889 /nfs/dbraw/zinc/78/88/89/350788889.db2.gz IDLQYMGZJZFLPS-ZDUSSCGKSA-N 2 2 264.373 0.861 20 0 CCADLP COCC[NH2+]CC(=O)NCCCNc1cccc[nH+]1 ZINC000165242597 350789050 /nfs/dbraw/zinc/78/90/50/350789050.db2.gz YDQIMQHHGKXCNI-UHFFFAOYSA-N 2 2 266.345 0.236 20 0 CCADLP C[C@@H](CNC(=O)C[C@H]1CCC[NH2+]1)Cn1cc[nH+]c1 ZINC000165588136 350791777 /nfs/dbraw/zinc/79/17/77/350791777.db2.gz JNHIJELJEUZSGO-NWDGAFQWSA-N 2 2 250.346 0.778 20 0 CCADLP CSCC[C@@H]([NH3+])C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000165589017 350792081 /nfs/dbraw/zinc/79/20/81/350792081.db2.gz BLKHJLARPZIBJU-GHMZBOCLSA-N 2 2 270.402 0.716 20 0 CCADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C[NH3+] ZINC000169184722 350836246 /nfs/dbraw/zinc/83/62/46/350836246.db2.gz CRVYKJSLVDJJJU-UHFFFAOYSA-N 2 2 263.341 0.724 20 0 CCADLP O=C(C[NH+]1CCCC1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000111219327 186371190 /nfs/dbraw/zinc/37/11/90/186371190.db2.gz LXKIISGASBIYCQ-UHFFFAOYSA-N 2 2 277.372 0.150 20 0 CCADLP C[NH+](C)[C@H]1CCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000170826063 350865777 /nfs/dbraw/zinc/86/57/77/350865777.db2.gz BDIOTVGJXCTOCD-NSHDSACASA-N 2 2 251.334 0.229 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC([C@@H](C)O)CC2)CC1 ZINC000171969973 350947751 /nfs/dbraw/zinc/94/77/51/350947751.db2.gz GFYKLLSMTZQWFM-ZIAGYGMSSA-N 2 2 297.443 0.632 20 0 CCADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCOCC2)C1 ZINC000173903464 351061495 /nfs/dbraw/zinc/06/14/95/351061495.db2.gz KNICBVDSROPIBI-ZDUSSCGKSA-N 2 2 269.389 0.119 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCOCC2)C1 ZINC000173903464 351061498 /nfs/dbraw/zinc/06/14/98/351061498.db2.gz KNICBVDSROPIBI-ZDUSSCGKSA-N 2 2 269.389 0.119 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000173903464 351061501 /nfs/dbraw/zinc/06/15/01/351061501.db2.gz KNICBVDSROPIBI-ZDUSSCGKSA-N 2 2 269.389 0.119 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000173903464 351061504 /nfs/dbraw/zinc/06/15/04/351061504.db2.gz KNICBVDSROPIBI-ZDUSSCGKSA-N 2 2 269.389 0.119 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](O)CC2)CC1 ZINC000339781885 215337567 /nfs/dbraw/zinc/33/75/67/215337567.db2.gz FLBBTKRKBNPELK-UONOGXRCSA-N 2 2 283.416 0.386 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](O)CC2)CC1 ZINC000339781885 215337569 /nfs/dbraw/zinc/33/75/69/215337569.db2.gz FLBBTKRKBNPELK-UONOGXRCSA-N 2 2 283.416 0.386 20 0 CCADLP CSCCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177131494 351194222 /nfs/dbraw/zinc/19/42/22/351194222.db2.gz HQINMZUFWPLFQI-UHFFFAOYSA-N 2 2 273.446 0.882 20 0 CCADLP COCCOCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000175738117 351141287 /nfs/dbraw/zinc/14/12/87/351141287.db2.gz FRTSQJHGQPIYOI-AWEZNQCLSA-N 2 2 272.389 0.304 20 0 CCADLP COCCOCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000175738117 351141290 /nfs/dbraw/zinc/14/12/90/351141290.db2.gz FRTSQJHGQPIYOI-AWEZNQCLSA-N 2 2 272.389 0.304 20 0 CCADLP C[C@H](CNC(=O)[C@H](C[NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000178701278 351241032 /nfs/dbraw/zinc/24/10/32/351241032.db2.gz QEXTWJQFLKAYCE-UKRRQHHQSA-N 2 2 291.395 0.566 20 0 CCADLP CO[C@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000179229959 351261977 /nfs/dbraw/zinc/26/19/77/351261977.db2.gz CSDLMBDWAXMYSZ-JKXDFHQYSA-N 2 2 295.427 0.791 20 0 CCADLP CO[C@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000179229959 351261982 /nfs/dbraw/zinc/26/19/82/351261982.db2.gz CSDLMBDWAXMYSZ-JKXDFHQYSA-N 2 2 295.427 0.791 20 0 CCADLP CC[C@H](C)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181025287 351298893 /nfs/dbraw/zinc/29/88/93/351298893.db2.gz DVTAOFPFXROBPS-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP CC[C@H]1[C@H](C)CC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000185672972 351453692 /nfs/dbraw/zinc/45/36/92/351453692.db2.gz LNFLCIWKVKEDEO-OLZOCXBDSA-N 2 2 253.390 0.881 20 0 CCADLP CC[C@H]1[C@H](C)CC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000185672972 351453696 /nfs/dbraw/zinc/45/36/96/351453696.db2.gz LNFLCIWKVKEDEO-OLZOCXBDSA-N 2 2 253.390 0.881 20 0 CCADLP CC(C)[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)CCCO1 ZINC000339811011 215345715 /nfs/dbraw/zinc/34/57/15/215345715.db2.gz DWRHKFBFJZURNQ-CQSZACIVSA-N 2 2 283.416 0.507 20 0 CCADLP CC(C)[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CCCO1 ZINC000339811011 215345718 /nfs/dbraw/zinc/34/57/18/215345718.db2.gz DWRHKFBFJZURNQ-CQSZACIVSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@H](c1nnnn1C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000189521327 351685345 /nfs/dbraw/zinc/68/53/45/351685345.db2.gz FTRPLDGKXDFYHV-SNVBAGLBSA-N 2 2 261.333 0.805 20 0 CCADLP CCC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000190282609 351716546 /nfs/dbraw/zinc/71/65/46/351716546.db2.gz ULJYGXZXBNQERP-AWEZNQCLSA-N 2 2 281.400 0.594 20 0 CCADLP CCC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000190282609 351716549 /nfs/dbraw/zinc/71/65/49/351716549.db2.gz ULJYGXZXBNQERP-AWEZNQCLSA-N 2 2 281.400 0.594 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000192094447 351782660 /nfs/dbraw/zinc/78/26/60/351782660.db2.gz GAZUUZDTQCRKJH-RYUDHWBXSA-N 2 2 292.383 0.518 20 0 CCADLP Nc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)ccn1 ZINC000191511385 351762600 /nfs/dbraw/zinc/76/26/00/351762600.db2.gz OZGMJQMGDCHOTK-CQSZACIVSA-N 2 2 276.384 0.818 20 0 CCADLP Nc1cc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)ccn1 ZINC000191511385 351762602 /nfs/dbraw/zinc/76/26/02/351762602.db2.gz OZGMJQMGDCHOTK-CQSZACIVSA-N 2 2 276.384 0.818 20 0 CCADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000207432516 351926683 /nfs/dbraw/zinc/92/66/83/351926683.db2.gz HLZXYCHDPBCRBV-UHFFFAOYSA-N 2 2 278.356 0.687 20 0 CCADLP [NH3+][C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000195116611 351897423 /nfs/dbraw/zinc/89/74/23/351897423.db2.gz DTDXCEDRXURLSF-LBPRGKRZSA-N 2 2 271.324 0.831 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2C)C1 ZINC000221294989 351977831 /nfs/dbraw/zinc/97/78/31/351977831.db2.gz GYGPOYVTWQNAQJ-STQMWFEESA-N 2 2 253.390 0.929 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2C)C1 ZINC000221294989 351977833 /nfs/dbraw/zinc/97/78/33/351977833.db2.gz GYGPOYVTWQNAQJ-STQMWFEESA-N 2 2 253.390 0.929 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000416432048 233836701 /nfs/dbraw/zinc/83/67/01/233836701.db2.gz JCQAVOQBBBLGBZ-OLZOCXBDSA-N 2 2 279.388 0.961 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000227374501 352048596 /nfs/dbraw/zinc/04/85/96/352048596.db2.gz QOTBLHFMMRDZQH-AWEZNQCLSA-N 2 2 293.367 0.431 20 0 CCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1nnnn1-c1ccccc1 ZINC000131772988 187587345 /nfs/dbraw/zinc/58/73/45/187587345.db2.gz VAFFVECZGOMIPA-NEPJUHHUSA-N 2 2 272.356 0.831 20 0 CCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1nnnn1-c1ccccc1 ZINC000131772988 187587347 /nfs/dbraw/zinc/58/73/47/187587347.db2.gz VAFFVECZGOMIPA-NEPJUHHUSA-N 2 2 272.356 0.831 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225890889 352017761 /nfs/dbraw/zinc/01/77/61/352017761.db2.gz OKGOWPUUYTURDL-XQQFMLRXSA-N 2 2 296.415 0.685 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225890889 352017764 /nfs/dbraw/zinc/01/77/64/352017764.db2.gz OKGOWPUUYTURDL-XQQFMLRXSA-N 2 2 296.415 0.685 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@H]2CCOc3ccccc32)[C@@H](C[NH3+])C1 ZINC000226607976 352030325 /nfs/dbraw/zinc/03/03/25/352030325.db2.gz HOVHAJLBNIAKIJ-JSGCOSHPSA-N 2 2 289.379 0.654 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]2CCOc3ccccc32)[C@@H](C[NH3+])C1 ZINC000226607976 352030327 /nfs/dbraw/zinc/03/03/27/352030327.db2.gz HOVHAJLBNIAKIJ-JSGCOSHPSA-N 2 2 289.379 0.654 20 0 CCADLP COC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)CC1 ZINC000227069098 352037373 /nfs/dbraw/zinc/03/73/73/352037373.db2.gz YDPVXRRFYZCDMJ-WCQYABFASA-N 2 2 297.399 0.067 20 0 CCADLP COC(=O)C1CCN(C(=O)C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)CC1 ZINC000227069098 352037374 /nfs/dbraw/zinc/03/73/74/352037374.db2.gz YDPVXRRFYZCDMJ-WCQYABFASA-N 2 2 297.399 0.067 20 0 CCADLP COc1ccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)c(F)c1 ZINC000228618575 352078548 /nfs/dbraw/zinc/07/85/48/352078548.db2.gz CZMIQNXLNJYEHD-UHFFFAOYSA-N 2 2 295.358 0.698 20 0 CCADLP COc1ccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c(F)c1 ZINC000228618575 352078551 /nfs/dbraw/zinc/07/85/51/352078551.db2.gz CZMIQNXLNJYEHD-UHFFFAOYSA-N 2 2 295.358 0.698 20 0 CCADLP CCc1nc(C)c(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)o1 ZINC000603431336 363130461 /nfs/dbraw/zinc/13/04/61/363130461.db2.gz WFDFYLZKUBCJHX-GHMZBOCLSA-N 2 2 278.356 0.289 20 0 CCADLP CCc1nc(C)c(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)o1 ZINC000603431336 363130465 /nfs/dbraw/zinc/13/04/65/363130465.db2.gz WFDFYLZKUBCJHX-GHMZBOCLSA-N 2 2 278.356 0.289 20 0 CCADLP C[C@H]([NH3+])C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000237403632 352262686 /nfs/dbraw/zinc/26/26/86/352262686.db2.gz FDAFCCMITICHTQ-ZETCQYMHSA-N 2 2 252.705 0.951 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000237451663 352265586 /nfs/dbraw/zinc/26/55/86/352265586.db2.gz YENNDJJMGXVGBT-REWJHTLYSA-N 2 2 283.416 0.729 20 0 CCADLP C[C@@H](C[NH3+])N(C)C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000237472634 352267033 /nfs/dbraw/zinc/26/70/33/352267033.db2.gz RLBDOKBOOFRWFH-JTQLQIEISA-N 2 2 259.313 0.687 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)[C@@H](C)C[NH2+]1 ZINC000237624923 352275598 /nfs/dbraw/zinc/27/55/98/352275598.db2.gz NUATUDGVVUOXOT-WOPDTQHZSA-N 2 2 262.357 0.654 20 0 CCADLP O=C(NCCCCNc1cccc[nH+]1)[C@H]1COCC[NH2+]1 ZINC000238019761 352295266 /nfs/dbraw/zinc/29/52/66/352295266.db2.gz NMRDBYBBIDGZAD-GFCCVEGCSA-N 2 2 278.356 0.378 20 0 CCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1COCC[NH2+]1 ZINC000238084514 352297800 /nfs/dbraw/zinc/29/78/00/352297800.db2.gz RDCJCXTXNGYQDR-ZDUSSCGKSA-N 2 2 290.367 0.286 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292038514 198140898 /nfs/dbraw/zinc/14/08/98/198140898.db2.gz AGMGNCVGWVTYFL-GFCCVEGCSA-N 2 2 286.401 0.157 20 0 CCADLP Cn1cc[nH+]c1[C@@H](NC(=O)NCC(F)(F)C[NH3+])C1CC1 ZINC000418167198 234020373 /nfs/dbraw/zinc/02/03/73/234020373.db2.gz MBODKABCCIBYBI-VIFPVBQESA-N 2 2 287.314 0.764 20 0 CCADLP CCC[C@H]([NH3+])C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000246230128 352356417 /nfs/dbraw/zinc/35/64/17/352356417.db2.gz HSAIYRLWSLHIAI-AVGNSLFASA-N 2 2 269.389 0.293 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246730207 352381520 /nfs/dbraw/zinc/38/15/20/352381520.db2.gz GDQVPSGIELKYDK-AVGNSLFASA-N 2 2 296.415 0.637 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246730207 352381523 /nfs/dbraw/zinc/38/15/23/352381523.db2.gz GDQVPSGIELKYDK-AVGNSLFASA-N 2 2 296.415 0.637 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246730207 352381527 /nfs/dbraw/zinc/38/15/27/352381527.db2.gz GDQVPSGIELKYDK-AVGNSLFASA-N 2 2 296.415 0.637 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246730207 352381530 /nfs/dbraw/zinc/38/15/30/352381530.db2.gz GDQVPSGIELKYDK-AVGNSLFASA-N 2 2 296.415 0.637 20 0 CCADLP CCOC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000247041050 352394793 /nfs/dbraw/zinc/39/47/93/352394793.db2.gz GPHAVIDMFXYOBL-LSDHHAIUSA-N 2 2 286.416 0.428 20 0 CCADLP CCOC[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000247041050 352394795 /nfs/dbraw/zinc/39/47/95/352394795.db2.gz GPHAVIDMFXYOBL-LSDHHAIUSA-N 2 2 286.416 0.428 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]C2)C[C@H]1[NH+]1CCOCC1 ZINC000246251359 352357090 /nfs/dbraw/zinc/35/70/90/352357090.db2.gz JYUKQBVOQMGNMN-HZSPNIEDSA-N 2 2 281.400 0.165 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000249319628 352486487 /nfs/dbraw/zinc/48/64/87/352486487.db2.gz PTRCMPJOBOKOAY-TUVASFSCSA-N 2 2 295.427 0.744 20 0 CCADLP CN1CC[N@H+](C)[C@@H](CNC(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000250366076 352504375 /nfs/dbraw/zinc/50/43/75/352504375.db2.gz GBLUOXJUBNZAGC-KGLIPLIRSA-N 2 2 282.432 0.128 20 0 CCADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000250366076 352504377 /nfs/dbraw/zinc/50/43/77/352504377.db2.gz GBLUOXJUBNZAGC-KGLIPLIRSA-N 2 2 282.432 0.128 20 0 CCADLP C[N@@H+]1CCN(C(=O)CC[C@H]2CCCCO2)[C@H](C[NH3+])C1 ZINC000250417440 352505216 /nfs/dbraw/zinc/50/52/16/352505216.db2.gz YEUXQKGHCMOPOF-CHWSQXEVSA-N 2 2 269.389 0.437 20 0 CCADLP C[N@H+]1CCN(C(=O)CC[C@H]2CCCCO2)[C@H](C[NH3+])C1 ZINC000250417440 352505217 /nfs/dbraw/zinc/50/52/17/352505217.db2.gz YEUXQKGHCMOPOF-CHWSQXEVSA-N 2 2 269.389 0.437 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)c1ccco1 ZINC000252465316 352515211 /nfs/dbraw/zinc/51/52/11/352515211.db2.gz PXQYNSZEIFTZOX-DGCLKSJQSA-N 2 2 281.356 0.329 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)c1ccco1 ZINC000252465316 352515213 /nfs/dbraw/zinc/51/52/13/352515213.db2.gz PXQYNSZEIFTZOX-DGCLKSJQSA-N 2 2 281.356 0.329 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)N(C)C2)C[N@@H+]1C1CC1 ZINC000252710667 352523827 /nfs/dbraw/zinc/52/38/27/352523827.db2.gz HISGNCOWITWMPF-GRYCIOLGSA-N 2 2 251.374 0.822 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)N(C)C2)C[N@H+]1C1CC1 ZINC000252710667 352523830 /nfs/dbraw/zinc/52/38/30/352523830.db2.gz HISGNCOWITWMPF-GRYCIOLGSA-N 2 2 251.374 0.822 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000253248822 352529711 /nfs/dbraw/zinc/52/97/11/352529711.db2.gz UPGBBSYPTLOSCT-IXPVHAAZSA-N 2 2 292.383 0.569 20 0 CCADLP C[C@@H](C(=O)NCC[N@@H+]1CCOCC1(C)C)C1C[NH2+]C1 ZINC000262389751 352586515 /nfs/dbraw/zinc/58/65/15/352586515.db2.gz OBPIHVGICCISOU-LLVKDONJSA-N 2 2 269.389 0.069 20 0 CCADLP C[C@@H](C(=O)NCC[N@H+]1CCOCC1(C)C)C1C[NH2+]C1 ZINC000262389751 352586518 /nfs/dbraw/zinc/58/65/18/352586518.db2.gz OBPIHVGICCISOU-LLVKDONJSA-N 2 2 269.389 0.069 20 0 CCADLP C[NH+](C)C/C=C/C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000264605082 352596492 /nfs/dbraw/zinc/59/64/92/352596492.db2.gz GAFXFNQUVSYYSN-FNORWQNLSA-N 2 2 274.368 0.848 20 0 CCADLP COCCN(C)c1ccc(C[N@H+](C)[C@@H](C)C[NH3+])cn1 ZINC000262046618 352573119 /nfs/dbraw/zinc/57/31/19/352573119.db2.gz ZBGFSAVDRPWZHX-LBPRGKRZSA-N 2 2 266.389 0.943 20 0 CCADLP COCCN(C)c1ccc(C[N@@H+](C)[C@@H](C)C[NH3+])cn1 ZINC000262046618 352573123 /nfs/dbraw/zinc/57/31/23/352573123.db2.gz ZBGFSAVDRPWZHX-LBPRGKRZSA-N 2 2 266.389 0.943 20 0 CCADLP Cc1cc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)on1 ZINC000262063746 352574877 /nfs/dbraw/zinc/57/48/77/352574877.db2.gz AOSRZZGXRPRDGL-LBPRGKRZSA-N 2 2 278.356 0.379 20 0 CCADLP Cc1cc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)on1 ZINC000262063746 352574880 /nfs/dbraw/zinc/57/48/80/352574880.db2.gz AOSRZZGXRPRDGL-LBPRGKRZSA-N 2 2 278.356 0.379 20 0 CCADLP C[C@@H](C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)C1C[NH2+]C1 ZINC000262302672 352585347 /nfs/dbraw/zinc/58/53/47/352585347.db2.gz BRXDHUFOWXNJHZ-GRYCIOLGSA-N 2 2 269.389 0.067 20 0 CCADLP C[C@@H](CC[NH3+])NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000418559171 234166479 /nfs/dbraw/zinc/16/64/79/234166479.db2.gz POJAAVRMIYSCDN-ZDUSSCGKSA-N 2 2 291.399 0.646 20 0 CCADLP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000418692739 234207511 /nfs/dbraw/zinc/20/75/11/234207511.db2.gz GCQQOTNXDUBVFU-RYUDHWBXSA-N 2 2 280.372 0.843 20 0 CCADLP O=C1C[N@H+](CCCNc2[nH+]cnc3[nH]ccc32)CCN1 ZINC000269942983 352888579 /nfs/dbraw/zinc/88/85/79/352888579.db2.gz HCUJDLHYZNZBDQ-UHFFFAOYSA-N 2 2 274.328 0.192 20 0 CCADLP O=C1C[N@@H+](CCCNc2[nH+]cnc3[nH]ccc32)CCN1 ZINC000269942983 352888583 /nfs/dbraw/zinc/88/85/83/352888583.db2.gz HCUJDLHYZNZBDQ-UHFFFAOYSA-N 2 2 274.328 0.192 20 0 CCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H](O)C3)cn2)CC1 ZINC000271017708 353015428 /nfs/dbraw/zinc/01/54/28/353015428.db2.gz SAOLYASNMKJYQV-CQSZACIVSA-N 2 2 291.399 0.185 20 0 CCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H](O)C3)cn2)CC1 ZINC000271017708 353015432 /nfs/dbraw/zinc/01/54/32/353015432.db2.gz SAOLYASNMKJYQV-CQSZACIVSA-N 2 2 291.399 0.185 20 0 CCADLP CCC[C@@H]([NH3+])C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000272299007 353050932 /nfs/dbraw/zinc/05/09/32/353050932.db2.gz GRTRUIKSAVTVQR-LLVKDONJSA-N 2 2 250.346 0.891 20 0 CCADLP [NH3+]CC[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000070169989 303389774 /nfs/dbraw/zinc/38/97/74/303389774.db2.gz INECZLQMMYRILH-GFCCVEGCSA-N 2 2 250.346 0.861 20 0 CCADLP CCOC(=O)[C@@](C)(O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000274649835 353149014 /nfs/dbraw/zinc/14/90/14/353149014.db2.gz MWQJOCYAQIZPBQ-ZDUSSCGKSA-N 2 2 269.345 0.519 20 0 CCADLP CCOC(=O)[C@@](C)(O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000274649835 353149015 /nfs/dbraw/zinc/14/90/15/353149015.db2.gz MWQJOCYAQIZPBQ-ZDUSSCGKSA-N 2 2 269.345 0.519 20 0 CCADLP COc1cccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)n1 ZINC000276953835 353213520 /nfs/dbraw/zinc/21/35/20/353213520.db2.gz KKHGTGAFYHCCFK-ZDUSSCGKSA-N 2 2 292.383 0.520 20 0 CCADLP COc1cccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)n1 ZINC000276953835 353213521 /nfs/dbraw/zinc/21/35/21/353213521.db2.gz KKHGTGAFYHCCFK-ZDUSSCGKSA-N 2 2 292.383 0.520 20 0 CCADLP C[C@H](NC(=O)[C@@H]1C[C@]12CCC[NH2+]C2)[C@H](C)[NH+]1CCOCC1 ZINC000655447082 412575473 /nfs/dbraw/zinc/57/54/73/412575473.db2.gz OWAYKIRGZFFQPO-YXWQFLTLSA-N 2 2 295.427 0.602 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(c2[nH+]cnc3[nH]ccc32)[C@@H](C)C1 ZINC000277736999 353262798 /nfs/dbraw/zinc/26/27/98/353262798.db2.gz HSWVAXXXQGOSNO-WDEREUQCSA-N 2 2 275.356 0.849 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(c2[nH+]cnc3[nH]ccc32)[C@@H](C)C1 ZINC000277736999 353262800 /nfs/dbraw/zinc/26/28/00/353262800.db2.gz HSWVAXXXQGOSNO-WDEREUQCSA-N 2 2 275.356 0.849 20 0 CCADLP C[C@]1(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCC[NH2+]C1 ZINC000655452533 412576663 /nfs/dbraw/zinc/57/66/63/412576663.db2.gz JRQHPVODYPEYQH-DOMZBBRYSA-N 2 2 276.384 0.951 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000280271986 353352571 /nfs/dbraw/zinc/35/25/71/353352571.db2.gz NISHYGRIOSSGEA-UHFFFAOYSA-N 2 2 293.415 0.059 20 0 CCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000556713887 291001200 /nfs/dbraw/zinc/00/12/00/291001200.db2.gz XACDSPDLOURVLJ-NWDGAFQWSA-N 2 2 250.346 0.824 20 0 CCADLP CC[N@H+]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000556713887 291001201 /nfs/dbraw/zinc/00/12/01/291001201.db2.gz XACDSPDLOURVLJ-NWDGAFQWSA-N 2 2 250.346 0.824 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655460801 412580219 /nfs/dbraw/zinc/58/02/19/412580219.db2.gz CPUVWQYFBYGPSB-NRWUCQMLSA-N 2 2 276.384 0.948 20 0 CCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000655458054 412580381 /nfs/dbraw/zinc/58/03/81/412580381.db2.gz KCNZVCPTFXYZJY-UPJWGTAASA-N 2 2 274.368 0.656 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@@H](c2c[nH+]cn2C)N(C)C)[C@@H](C)C1 ZINC000286557996 353595999 /nfs/dbraw/zinc/59/59/99/353595999.db2.gz AFPGQZROZLBUHO-GXTWGEPZSA-N 2 2 293.415 0.575 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@@H](c2c[nH+]cn2C)N(C)C)[C@@H](C)C1 ZINC000286557996 353596002 /nfs/dbraw/zinc/59/60/02/353596002.db2.gz AFPGQZROZLBUHO-GXTWGEPZSA-N 2 2 293.415 0.575 20 0 CCADLP C[N@H+](C[C@@H](O)CN1CC[NH+](Cc2ccco2)CC1)C1CC1 ZINC000290065928 353705660 /nfs/dbraw/zinc/70/56/60/353705660.db2.gz SYLFJVRRIGPLEB-OAHLLOKOSA-N 2 2 293.411 0.852 20 0 CCADLP C[N@@H+](C[C@@H](O)CN1CC[NH+](Cc2ccco2)CC1)C1CC1 ZINC000290065928 353705663 /nfs/dbraw/zinc/70/56/63/353705663.db2.gz SYLFJVRRIGPLEB-OAHLLOKOSA-N 2 2 293.411 0.852 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)N1CCn2c[nH+]cc2C1 ZINC000291310141 353779046 /nfs/dbraw/zinc/77/90/46/353779046.db2.gz PNVJNPZMCSHYLL-LLVKDONJSA-N 2 2 265.361 0.749 20 0 CCADLP CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655465974 412583666 /nfs/dbraw/zinc/58/36/66/412583666.db2.gz WNNAVWXWRMPTDH-RYUDHWBXSA-N 2 2 276.384 0.950 20 0 CCADLP COC[C@H]1CC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000293585894 353822685 /nfs/dbraw/zinc/82/26/85/353822685.db2.gz ICLZJWWWRMTDDK-CQSZACIVSA-N 2 2 291.399 0.449 20 0 CCADLP COC[C@H]1CC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000293585894 353822687 /nfs/dbraw/zinc/82/26/87/353822687.db2.gz ICLZJWWWRMTDDK-CQSZACIVSA-N 2 2 291.399 0.449 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)NCCCn1cc[nH+]c1 ZINC000299365168 354011433 /nfs/dbraw/zinc/01/14/33/354011433.db2.gz LBKLHCNQGNZSSD-LBPRGKRZSA-N 2 2 267.377 0.913 20 0 CCADLP CC[NH+]1CCC(CNc2nc(C)[nH+]c(N)n2)CC1 ZINC000302633494 354083806 /nfs/dbraw/zinc/08/38/06/354083806.db2.gz RDODILNYSBDXAB-UHFFFAOYSA-N 2 2 250.350 0.906 20 0 CCADLP CC[NH+]1CCC(CNc2nc(N)nc(C)[nH+]2)CC1 ZINC000302633494 354083811 /nfs/dbraw/zinc/08/38/11/354083811.db2.gz RDODILNYSBDXAB-UHFFFAOYSA-N 2 2 250.350 0.906 20 0 CCADLP O=c1nc(C[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)[nH][nH]1 ZINC000299745204 354044570 /nfs/dbraw/zinc/04/45/70/354044570.db2.gz WOXOQJGSXQCUGL-SNVBAGLBSA-N 2 2 288.355 0.620 20 0 CCADLP O=c1nc(C[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)[nH][nH]1 ZINC000299745204 354044573 /nfs/dbraw/zinc/04/45/73/354044573.db2.gz WOXOQJGSXQCUGL-SNVBAGLBSA-N 2 2 288.355 0.620 20 0 CCADLP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cnn(C)c1 ZINC000305113473 354131659 /nfs/dbraw/zinc/13/16/59/354131659.db2.gz GXZXBOMCWALGMC-GFCCVEGCSA-N 2 2 266.389 0.918 20 0 CCADLP C[NH+](C)C[C@@H](O)C[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000305157576 354134654 /nfs/dbraw/zinc/13/46/54/354134654.db2.gz WEPUTIQFDWVIDD-INIZCTEOSA-N 2 2 292.427 0.558 20 0 CCADLP C[NH+](C)C[C@@H](O)CNC1CC[NH+](Cc2cccnc2)CC1 ZINC000305157576 354134658 /nfs/dbraw/zinc/13/46/58/354134658.db2.gz WEPUTIQFDWVIDD-INIZCTEOSA-N 2 2 292.427 0.558 20 0 CCADLP O[C@H](CN1CCC[C@H]([NH+]2CCCC2)C1)C[NH+]1CCOCC1 ZINC000303106571 354095900 /nfs/dbraw/zinc/09/59/00/354095900.db2.gz FBTVLKZSUMMTHE-HOTGVXAUSA-N 2 2 297.443 0.240 20 0 CCADLP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655476134 412586895 /nfs/dbraw/zinc/58/68/95/412586895.db2.gz NDKVZYUHQFLDFD-QWRGUYRKSA-N 2 2 264.373 0.935 20 0 CCADLP COC[C@](C)([NH3+])CNc1cc(-n2cc[nH+]c2)ncn1 ZINC000607145829 363341074 /nfs/dbraw/zinc/34/10/74/363341074.db2.gz SMJCXNYKJVKOCX-GFCCVEGCSA-N 2 2 262.317 0.438 20 0 CCADLP CCOC(=O)C[C@@H](O)C[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000308583413 354185764 /nfs/dbraw/zinc/18/57/64/354185764.db2.gz AQLRRAPNKIVLQZ-GFCCVEGCSA-N 2 2 272.389 0.765 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCSC1 ZINC000310459143 354189755 /nfs/dbraw/zinc/18/97/55/354189755.db2.gz ALADIVRUAQJBFO-RYUDHWBXSA-N 2 2 262.419 0.363 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCSC1 ZINC000310459143 354189758 /nfs/dbraw/zinc/18/97/58/354189758.db2.gz ALADIVRUAQJBFO-RYUDHWBXSA-N 2 2 262.419 0.363 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CCSC1 ZINC000310459143 354189762 /nfs/dbraw/zinc/18/97/62/354189762.db2.gz ALADIVRUAQJBFO-RYUDHWBXSA-N 2 2 262.419 0.363 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CCSC1 ZINC000310459143 354189765 /nfs/dbraw/zinc/18/97/65/354189765.db2.gz ALADIVRUAQJBFO-RYUDHWBXSA-N 2 2 262.419 0.363 20 0 CCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@]1(C)C[NH3+] ZINC000310866522 354192519 /nfs/dbraw/zinc/19/25/19/354192519.db2.gz DVOQXLMVPRYXSI-DGCLKSJQSA-N 2 2 250.346 0.717 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)CC1CCOCC1 ZINC000311448071 354199850 /nfs/dbraw/zinc/19/98/50/354199850.db2.gz ILRAPDZTLMQWEE-AWEZNQCLSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)CC1CCOCC1 ZINC000311448071 354199855 /nfs/dbraw/zinc/19/98/55/354199855.db2.gz ILRAPDZTLMQWEE-AWEZNQCLSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)CC1CCOCC1 ZINC000311448071 354199863 /nfs/dbraw/zinc/19/98/63/354199863.db2.gz ILRAPDZTLMQWEE-AWEZNQCLSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)CC1CCOCC1 ZINC000311448071 354199867 /nfs/dbraw/zinc/19/98/67/354199867.db2.gz ILRAPDZTLMQWEE-AWEZNQCLSA-N 2 2 274.405 0.284 20 0 CCADLP Cn1c[nH+]c(CC[NH2+]C[C@@H](O)COCc2ccco2)c1 ZINC000313287454 354213293 /nfs/dbraw/zinc/21/32/93/354213293.db2.gz XIAIZKZAEMWGDY-CYBMUJFWSA-N 2 2 279.340 0.723 20 0 CCADLP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313348188 354213679 /nfs/dbraw/zinc/21/36/79/354213679.db2.gz KRDJRRQHSZQQQM-HZSPNIEDSA-N 2 2 283.416 0.826 20 0 CCADLP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313348188 354213682 /nfs/dbraw/zinc/21/36/82/354213682.db2.gz KRDJRRQHSZQQQM-HZSPNIEDSA-N 2 2 283.416 0.826 20 0 CCADLP C[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@@H]1C[NH3+] ZINC000655478328 412587460 /nfs/dbraw/zinc/58/74/60/412587460.db2.gz QVHVDJCBIIQGDY-AGIUHOORSA-N 2 2 276.384 0.889 20 0 CCADLP CCCN(C(=O)[C@@H](C)[NH+]1CCOCC1)C1CC[NH2+]CC1 ZINC000430835275 283014886 /nfs/dbraw/zinc/01/48/86/283014886.db2.gz CDXJZPKLEJAHQA-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP Cn1c[nH+]cc1CN1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000330403219 354346327 /nfs/dbraw/zinc/34/63/27/354346327.db2.gz LQISJPYKOYREKR-GFCCVEGCSA-N 2 2 281.360 0.088 20 0 CCADLP Cn1c[nH+]cc1CN1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000330403219 354346331 /nfs/dbraw/zinc/34/63/31/354346331.db2.gz LQISJPYKOYREKR-GFCCVEGCSA-N 2 2 281.360 0.088 20 0 CCADLP C[C@@H](CNC(=O)c1c[nH+]ccc1N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488410 412589993 /nfs/dbraw/zinc/58/99/93/412589993.db2.gz YWISZXNYQZJEBZ-SDDRHHMPSA-N 2 2 292.383 0.722 20 0 CCADLP C[C@@H](CNC(=O)c1c[nH+]ccc1N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488410 412589999 /nfs/dbraw/zinc/58/99/99/412589999.db2.gz YWISZXNYQZJEBZ-SDDRHHMPSA-N 2 2 292.383 0.722 20 0 CCADLP CC(=O)[C@](C)(O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000331335610 354540321 /nfs/dbraw/zinc/54/03/21/354540321.db2.gz QFLFMIOORHWRPQ-WCQYABFASA-N 2 2 251.330 0.929 20 0 CCADLP CC(=O)[C@](C)(O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000331335610 354540325 /nfs/dbraw/zinc/54/03/25/354540325.db2.gz QFLFMIOORHWRPQ-WCQYABFASA-N 2 2 251.330 0.929 20 0 CCADLP OC1(C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)CCOCC1 ZINC000331254851 354506517 /nfs/dbraw/zinc/50/65/17/354506517.db2.gz XVBXYYJVCPGJKA-UHFFFAOYSA-N 2 2 280.372 0.069 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000331356383 354548785 /nfs/dbraw/zinc/54/87/85/354548785.db2.gz RVRLBNRQMZNDBQ-NWDGAFQWSA-N 2 2 280.372 0.105 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000331356383 354548786 /nfs/dbraw/zinc/54/87/86/354548786.db2.gz RVRLBNRQMZNDBQ-NWDGAFQWSA-N 2 2 280.372 0.105 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)NC[C@H](C)Cn2cc[nH+]c2C)[N@H+](C)C1 ZINC000332269421 354637589 /nfs/dbraw/zinc/63/75/89/354637589.db2.gz CDPXDBMRQMIKNA-UBHSHLNASA-N 2 2 294.399 0.663 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)NC[C@H](C)Cn2cc[nH+]c2C)[N@@H+](C)C1 ZINC000332269421 354637592 /nfs/dbraw/zinc/63/75/92/354637592.db2.gz CDPXDBMRQMIKNA-UBHSHLNASA-N 2 2 294.399 0.663 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000333651698 354770643 /nfs/dbraw/zinc/77/06/43/354770643.db2.gz VWTMONIGPDPHGE-KGLIPLIRSA-N 2 2 298.431 0.524 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000333651698 354770647 /nfs/dbraw/zinc/77/06/47/354770647.db2.gz VWTMONIGPDPHGE-KGLIPLIRSA-N 2 2 298.431 0.524 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000333846488 354804207 /nfs/dbraw/zinc/80/42/07/354804207.db2.gz PFXQASMWTNEEOX-MCIONIFRSA-N 2 2 296.415 0.243 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1 ZINC000355585725 283051662 /nfs/dbraw/zinc/05/16/62/283051662.db2.gz NBBPNWIITIEMPI-UHFFFAOYSA-N 3 2 298.475 0.813 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1 ZINC000355585725 283051666 /nfs/dbraw/zinc/05/16/66/283051666.db2.gz NBBPNWIITIEMPI-UHFFFAOYSA-N 3 2 298.475 0.813 20 0 CCADLP CCC[NH+](C)CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000355585725 283051670 /nfs/dbraw/zinc/05/16/70/283051670.db2.gz NBBPNWIITIEMPI-UHFFFAOYSA-N 3 2 298.475 0.813 20 0 CCADLP CCC[NH+](C)CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000355585725 283051675 /nfs/dbraw/zinc/05/16/75/283051675.db2.gz NBBPNWIITIEMPI-UHFFFAOYSA-N 3 2 298.475 0.813 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000334711719 354929559 /nfs/dbraw/zinc/92/95/59/354929559.db2.gz DLIULNHLCIRABE-QWRGUYRKSA-N 2 2 250.346 0.743 20 0 CCADLP Cc1nc(N2CCN(C(=O)C(C)(C)C[NH3+])CC2)cc[nH+]1 ZINC000423778620 235076398 /nfs/dbraw/zinc/07/63/98/235076398.db2.gz HMEUUDAWOUMBCP-UHFFFAOYSA-N 2 2 277.372 0.419 20 0 CCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CSC[NH2+]1 ZINC000423808001 235088198 /nfs/dbraw/zinc/08/81/98/235088198.db2.gz WSCDYBNHHKGESA-QWRGUYRKSA-N 2 2 278.381 0.439 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@]12CCOC2)C1CC1 ZINC000336796068 355169508 /nfs/dbraw/zinc/16/95/08/355169508.db2.gz PDWSEPUVAQOATL-UONOGXRCSA-N 2 2 254.374 0.696 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@]12CCOC2)C1CC1 ZINC000336796068 355169512 /nfs/dbraw/zinc/16/95/12/355169512.db2.gz PDWSEPUVAQOATL-UONOGXRCSA-N 2 2 254.374 0.696 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@]12CCOC2)C1CC1 ZINC000336796068 355169515 /nfs/dbraw/zinc/16/95/15/355169515.db2.gz PDWSEPUVAQOATL-UONOGXRCSA-N 2 2 254.374 0.696 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@]12CCOC2)C1CC1 ZINC000336796068 355169518 /nfs/dbraw/zinc/16/95/18/355169518.db2.gz PDWSEPUVAQOATL-UONOGXRCSA-N 2 2 254.374 0.696 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1COCCO1 ZINC000336694085 355137494 /nfs/dbraw/zinc/13/74/94/355137494.db2.gz DHRZXUUQKCRBSQ-HZSPNIEDSA-N 2 2 254.374 0.960 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1COCCO1 ZINC000336694085 355137498 /nfs/dbraw/zinc/13/74/98/355137498.db2.gz DHRZXUUQKCRBSQ-HZSPNIEDSA-N 2 2 254.374 0.960 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1COCCO1 ZINC000336694085 355137501 /nfs/dbraw/zinc/13/75/01/355137501.db2.gz DHRZXUUQKCRBSQ-HZSPNIEDSA-N 2 2 254.374 0.960 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1COCCO1 ZINC000336694085 355137503 /nfs/dbraw/zinc/13/75/03/355137503.db2.gz DHRZXUUQKCRBSQ-HZSPNIEDSA-N 2 2 254.374 0.960 20 0 CCADLP C[C@H](O)CC[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000336706715 355143593 /nfs/dbraw/zinc/14/35/93/355143593.db2.gz WOSAYVKBSRAMDH-LBPRGKRZSA-N 2 2 252.362 0.309 20 0 CCADLP CO[C@H](C)C[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000336706942 355143643 /nfs/dbraw/zinc/14/36/43/355143643.db2.gz YJLBFODQEMQULD-GFCCVEGCSA-N 2 2 252.362 0.573 20 0 CCADLP CN(C)S(=O)(=O)CCC[NH+]1CCC([NH+](C)C)CC1 ZINC000336730768 355153331 /nfs/dbraw/zinc/15/33/31/355153331.db2.gz QJCDBCDVPGPIRO-UHFFFAOYSA-N 2 2 277.434 0.294 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ncc(C)cn3)C2)CC1 ZINC000336834233 355207007 /nfs/dbraw/zinc/20/70/07/355207007.db2.gz FRCBJLSGHVINLJ-HNNXBMFYSA-N 2 2 289.427 0.997 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ncc(C)cn3)C2)CC1 ZINC000336834233 355207011 /nfs/dbraw/zinc/20/70/11/355207011.db2.gz FRCBJLSGHVINLJ-HNNXBMFYSA-N 2 2 289.427 0.997 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)C1CC1 ZINC000336814345 355189175 /nfs/dbraw/zinc/18/91/75/355189175.db2.gz FKTZWQKDTXFWCH-HIFRSBDPSA-N 3 2 269.433 0.715 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1)C1CC1 ZINC000336814345 355189177 /nfs/dbraw/zinc/18/91/77/355189177.db2.gz FKTZWQKDTXFWCH-HIFRSBDPSA-N 3 2 269.433 0.715 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C[C@@H]1CCC[NH+](C)C1 ZINC000336814345 355189178 /nfs/dbraw/zinc/18/91/78/355189178.db2.gz FKTZWQKDTXFWCH-HIFRSBDPSA-N 3 2 269.433 0.715 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C[C@@H]1CCC[NH+](C)C1 ZINC000336814345 355189181 /nfs/dbraw/zinc/18/91/81/355189181.db2.gz FKTZWQKDTXFWCH-HIFRSBDPSA-N 3 2 269.433 0.715 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCC(CS(C)(=O)=O)CC1 ZINC000336816471 355190271 /nfs/dbraw/zinc/19/02/71/355190271.db2.gz MCFMCCVAHIWVOF-UHFFFAOYSA-N 2 2 285.413 0.948 20 0 CCADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)[C@H]1C[C@H](F)C[NH2+]1 ZINC000424197866 235176876 /nfs/dbraw/zinc/17/68/76/235176876.db2.gz XJQDYRQBZBYATB-HRDYMLBCSA-N 2 2 265.279 0.047 20 0 CCADLP COCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424329413 235198506 /nfs/dbraw/zinc/19/85/06/235198506.db2.gz GHZRUNBLXMEZQR-IJLUTSLNSA-N 2 2 257.378 0.387 20 0 CCADLP Nc1nsc(N2CC[NH+](CCCn3cc[nH+]c3)CC2)n1 ZINC000271887950 191392523 /nfs/dbraw/zinc/39/25/23/191392523.db2.gz DHDHBDNHLBONQV-UHFFFAOYSA-N 2 2 293.400 0.529 20 0 CCADLP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[NH+](C)CC2)c1 ZINC000424433184 235205951 /nfs/dbraw/zinc/20/59/51/235205951.db2.gz BQYOYXWMPAHHRO-UHFFFAOYSA-N 2 2 290.367 0.166 20 0 CCADLP O=C(Cc1cn2ccccc2[nH+]1)NCC[NH+]1CCC1 ZINC000337298553 355296908 /nfs/dbraw/zinc/29/69/08/355296908.db2.gz ULENWNISULQTTH-UHFFFAOYSA-N 2 2 258.325 0.699 20 0 CCADLP CN(C)CC[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC000558645765 291064425 /nfs/dbraw/zinc/06/44/25/291064425.db2.gz URYYQDIJMXUNSM-UHFFFAOYSA-N 2 2 293.415 0.273 20 0 CCADLP CS[C@@H]1CN(CC[N@@H+]2CCOC[C@H]2C)C[C@H]1[NH+](C)C ZINC000337187171 355280903 /nfs/dbraw/zinc/28/09/03/355280903.db2.gz PUEDYSIJQWNOAH-MGPQQGTHSA-N 2 2 287.473 0.685 20 0 CCADLP CS[C@@H]1CN(CC[N@H+]2CCOC[C@H]2C)C[C@H]1[NH+](C)C ZINC000337187171 355280907 /nfs/dbraw/zinc/28/09/07/355280907.db2.gz PUEDYSIJQWNOAH-MGPQQGTHSA-N 2 2 287.473 0.685 20 0 CCADLP COCCCn1nccc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000338436135 355347957 /nfs/dbraw/zinc/34/79/57/355347957.db2.gz CRXLNAIYPHWLEA-CQSZACIVSA-N 2 2 282.388 0.076 20 0 CCADLP COCCCn1nccc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000338436135 355347960 /nfs/dbraw/zinc/34/79/60/355347960.db2.gz CRXLNAIYPHWLEA-CQSZACIVSA-N 2 2 282.388 0.076 20 0 CCADLP C[N@@H+]1CCCN(C(=O)NCC[NH+]2CCOC(C)(C)C2)CC1 ZINC000338499963 355360453 /nfs/dbraw/zinc/36/04/53/355360453.db2.gz BLGYNFFOGREQCJ-UHFFFAOYSA-N 2 2 298.431 0.444 20 0 CCADLP C[N@H+]1CCCN(C(=O)NCC[NH+]2CCOC(C)(C)C2)CC1 ZINC000338499963 355360455 /nfs/dbraw/zinc/36/04/55/355360455.db2.gz BLGYNFFOGREQCJ-UHFFFAOYSA-N 2 2 298.431 0.444 20 0 CCADLP C[NH+]1CCCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000338499963 355360459 /nfs/dbraw/zinc/36/04/59/355360459.db2.gz BLGYNFFOGREQCJ-UHFFFAOYSA-N 2 2 298.431 0.444 20 0 CCADLP C[NH+]1CCCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000338499963 355360463 /nfs/dbraw/zinc/36/04/63/355360463.db2.gz BLGYNFFOGREQCJ-UHFFFAOYSA-N 2 2 298.431 0.444 20 0 CCADLP C[N@@H+]1CCCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000339480705 355503398 /nfs/dbraw/zinc/50/33/98/355503398.db2.gz CARPFCZKMSDWNX-UHFFFAOYSA-N 2 2 298.431 0.444 20 0 CCADLP C[N@H+]1CCCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000339480705 355503402 /nfs/dbraw/zinc/50/34/02/355503402.db2.gz CARPFCZKMSDWNX-UHFFFAOYSA-N 2 2 298.431 0.444 20 0 CCADLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cn[nH]c1 ZINC000340476116 355559643 /nfs/dbraw/zinc/55/96/43/355559643.db2.gz SXGKNAGIZLBMFB-YPMHNXCESA-N 2 2 252.362 0.907 20 0 CCADLP Cc1ncc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cn1 ZINC000341218571 355632968 /nfs/dbraw/zinc/63/29/68/355632968.db2.gz JEJGXQWGRGAPPS-ZDUSSCGKSA-N 2 2 277.372 0.214 20 0 CCADLP Cc1ncc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cn1 ZINC000341218571 355632970 /nfs/dbraw/zinc/63/29/70/355632970.db2.gz JEJGXQWGRGAPPS-ZDUSSCGKSA-N 2 2 277.372 0.214 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCC[NH2+][C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000342698813 299233004 /nfs/dbraw/zinc/23/30/04/299233004.db2.gz HYCQQWBUPNULAX-XUXIUFHCSA-N 2 2 283.416 0.600 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000342764225 355740988 /nfs/dbraw/zinc/74/09/88/355740988.db2.gz GPKAAKOLAIWJPV-ZJUUUORDSA-N 2 2 272.299 0.633 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000344220765 355790062 /nfs/dbraw/zinc/79/00/62/355790062.db2.gz WPHMCVYOSABNHQ-BFHYXJOUSA-N 3 2 254.422 0.162 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000344220765 355790063 /nfs/dbraw/zinc/79/00/63/355790063.db2.gz WPHMCVYOSABNHQ-BFHYXJOUSA-N 3 2 254.422 0.162 20 0 CCADLP CN(CCC[NH+]1CCCC1)C(=O)NCC[NH+]1CCOCC1 ZINC000345368994 355807546 /nfs/dbraw/zinc/80/75/46/355807546.db2.gz MGASYBDKTIFCTP-UHFFFAOYSA-N 2 2 298.431 0.446 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)C[NH+]1CCCC1 ZINC000345511114 355841447 /nfs/dbraw/zinc/84/14/47/355841447.db2.gz UVZKFATVRBOTKJ-QWRGUYRKSA-N 2 2 275.343 0.832 20 0 CCADLP CO[C@H]1C[C@H](CO)[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348485657 355938795 /nfs/dbraw/zinc/93/87/95/355938795.db2.gz VRRIYIWVSYWXRK-MNOVXSKESA-N 2 2 285.413 0.786 20 0 CCADLP CO[C@H]1C[C@H](CO)[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348485657 355938799 /nfs/dbraw/zinc/93/87/99/355938799.db2.gz VRRIYIWVSYWXRK-MNOVXSKESA-N 2 2 285.413 0.786 20 0 CCADLP CC[NH+](CC)Cc1nc(CC(=O)N2CC[NH+](C)CC2)no1 ZINC000350204098 355995899 /nfs/dbraw/zinc/99/58/99/355995899.db2.gz RSZSRMHSMUJLPP-UHFFFAOYSA-N 2 2 295.387 0.228 20 0 CCADLP c1cc2c(c(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)c1)OCO2 ZINC000352693867 356055865 /nfs/dbraw/zinc/05/58/65/356055865.db2.gz UMZWHNQPFJAXNA-AWEZNQCLSA-N 2 2 289.379 0.895 20 0 CCADLP C[C@@H](C(=O)N(C)C1CC[NH+](C)CC1)[NH+]1CCN(C)CC1 ZINC000352780917 356079235 /nfs/dbraw/zinc/07/92/35/356079235.db2.gz WMFOBJQLFZBMLH-ZDUSSCGKSA-N 2 2 282.432 0.175 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000353445696 356224618 /nfs/dbraw/zinc/22/46/18/356224618.db2.gz JEBFIKMBJMRTMS-AGIUHOORSA-N 2 2 269.389 0.211 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000353445696 356224621 /nfs/dbraw/zinc/22/46/21/356224621.db2.gz JEBFIKMBJMRTMS-AGIUHOORSA-N 2 2 269.389 0.211 20 0 CCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]([NH3+])[C@H](C)CC)CC1 ZINC000353475832 356232819 /nfs/dbraw/zinc/23/28/19/356232819.db2.gz XQJKJUUITDMBLJ-TZMCWYRMSA-N 2 2 298.431 0.030 20 0 CCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]([NH3+])[C@H](C)CC)CC1 ZINC000353475832 356232822 /nfs/dbraw/zinc/23/28/22/356232822.db2.gz XQJKJUUITDMBLJ-TZMCWYRMSA-N 2 2 298.431 0.030 20 0 CCADLP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000360815005 138011942 /nfs/dbraw/zinc/01/19/42/138011942.db2.gz DGAKRUNIRATQKV-NXEZZACHSA-N 2 2 261.316 0.442 20 0 CCADLP CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000360815005 138011943 /nfs/dbraw/zinc/01/19/43/138011943.db2.gz DGAKRUNIRATQKV-NXEZZACHSA-N 2 2 261.316 0.442 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000353666506 356269376 /nfs/dbraw/zinc/26/93/76/356269376.db2.gz BFHSQVNWZOVHAV-LBPRGKRZSA-N 2 2 279.388 0.427 20 0 CCADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CC[C@H](CO)O2)s1 ZINC000353709020 356278157 /nfs/dbraw/zinc/27/81/57/356278157.db2.gz RSUPZPOYJPWNTJ-WDEREUQCSA-N 2 2 285.413 0.834 20 0 CCADLP CSCC[C@@H]([NH3+])C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000353504334 356240515 /nfs/dbraw/zinc/24/05/15/356240515.db2.gz ZHUZUENTLRKMJD-GFCCVEGCSA-N 2 2 296.440 0.959 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000353532569 356245591 /nfs/dbraw/zinc/24/55/91/356245591.db2.gz VMAHGUOKOIUAQQ-MJBXVCDLSA-N 2 2 281.400 0.308 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000353760546 356287899 /nfs/dbraw/zinc/28/78/99/356287899.db2.gz IWTLJGCCOPMOAG-NWDGAFQWSA-N 2 2 278.356 0.207 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000353760546 356287902 /nfs/dbraw/zinc/28/79/02/356287902.db2.gz IWTLJGCCOPMOAG-NWDGAFQWSA-N 2 2 278.356 0.207 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)n(C)c1C ZINC000361136302 138022730 /nfs/dbraw/zinc/02/27/30/138022730.db2.gz NKEZBKLJFHHXGQ-OAHLLOKOSA-N 2 2 295.383 0.276 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)n(C)c1C ZINC000361136302 138022731 /nfs/dbraw/zinc/02/27/31/138022731.db2.gz NKEZBKLJFHHXGQ-OAHLLOKOSA-N 2 2 295.383 0.276 20 0 CCADLP CNC(=O)C[C@@H](C)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000361226972 138025746 /nfs/dbraw/zinc/02/57/46/138025746.db2.gz DNMSWPZYABNYQZ-GFCCVEGCSA-N 2 2 285.432 0.990 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCCCOC)C[C@@H]1C ZINC000362184995 138050018 /nfs/dbraw/zinc/05/00/18/138050018.db2.gz UWVPNBBLAUEVRU-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCCCOC)C[C@@H]1C ZINC000362184995 138050019 /nfs/dbraw/zinc/05/00/19/138050019.db2.gz UWVPNBBLAUEVRU-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCCCOC)C[C@@H]1C ZINC000362184995 138050020 /nfs/dbraw/zinc/05/00/20/138050020.db2.gz UWVPNBBLAUEVRU-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCCCOC)C[C@@H]1C ZINC000362184995 138050021 /nfs/dbraw/zinc/05/00/21/138050021.db2.gz UWVPNBBLAUEVRU-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)NCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000361860478 138037260 /nfs/dbraw/zinc/03/72/60/138037260.db2.gz YBFRLMJGXFQBPD-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)NCC[NH+]2CCOCC2)CC[N@H+]1C ZINC000361860478 138037261 /nfs/dbraw/zinc/03/72/61/138037261.db2.gz YBFRLMJGXFQBPD-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCCC(=O)OC)C[C@@H]1C ZINC000354220383 356368978 /nfs/dbraw/zinc/36/89/78/356368978.db2.gz GYTKODAKENXEOD-STQMWFEESA-N 2 2 299.415 0.470 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCCC(=O)OC)C[C@@H]1C ZINC000354220383 356368980 /nfs/dbraw/zinc/36/89/80/356368980.db2.gz GYTKODAKENXEOD-STQMWFEESA-N 2 2 299.415 0.470 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCCC(=O)OC)C[C@@H]1C ZINC000354220383 356368982 /nfs/dbraw/zinc/36/89/82/356368982.db2.gz GYTKODAKENXEOD-STQMWFEESA-N 2 2 299.415 0.470 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCCC(=O)OC)C[C@@H]1C ZINC000354220383 356368986 /nfs/dbraw/zinc/36/89/86/356368986.db2.gz GYTKODAKENXEOD-STQMWFEESA-N 2 2 299.415 0.470 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCCC(=O)OC)C[C@H]1C ZINC000354220380 356369334 /nfs/dbraw/zinc/36/93/34/356369334.db2.gz GYTKODAKENXEOD-CHWSQXEVSA-N 2 2 299.415 0.470 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCCC(=O)OC)C[C@H]1C ZINC000354220380 356369336 /nfs/dbraw/zinc/36/93/36/356369336.db2.gz GYTKODAKENXEOD-CHWSQXEVSA-N 2 2 299.415 0.470 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCCC(=O)OC)C[C@H]1C ZINC000354220380 356369339 /nfs/dbraw/zinc/36/93/39/356369339.db2.gz GYTKODAKENXEOD-CHWSQXEVSA-N 2 2 299.415 0.470 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCCC(=O)OC)C[C@H]1C ZINC000354220380 356369343 /nfs/dbraw/zinc/36/93/43/356369343.db2.gz GYTKODAKENXEOD-CHWSQXEVSA-N 2 2 299.415 0.470 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCNC2=O)C[C@@H]1C ZINC000354207346 356366439 /nfs/dbraw/zinc/36/64/39/356366439.db2.gz MNIJQBXHWRIUKC-NWDGAFQWSA-N 2 2 282.388 0.343 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCNC2=O)C[C@@H]1C ZINC000354207346 356366443 /nfs/dbraw/zinc/36/64/43/356366443.db2.gz MNIJQBXHWRIUKC-NWDGAFQWSA-N 2 2 282.388 0.343 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCNC2=O)C[C@@H]1C ZINC000354207346 356366444 /nfs/dbraw/zinc/36/64/44/356366444.db2.gz MNIJQBXHWRIUKC-NWDGAFQWSA-N 2 2 282.388 0.343 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCNC2=O)C[C@@H]1C ZINC000354207346 356366447 /nfs/dbraw/zinc/36/64/47/356366447.db2.gz MNIJQBXHWRIUKC-NWDGAFQWSA-N 2 2 282.388 0.343 20 0 CCADLP O=C(NCc1c[nH+]c[nH]1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000362802314 138075121 /nfs/dbraw/zinc/07/51/21/138075121.db2.gz SPFWFNNEQKLXQQ-LLVKDONJSA-N 2 2 274.328 0.461 20 0 CCADLP O=C(NCc1c[nH]c[nH+]1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000362802314 138075122 /nfs/dbraw/zinc/07/51/22/138075122.db2.gz SPFWFNNEQKLXQQ-LLVKDONJSA-N 2 2 274.328 0.461 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@H]1C[C@@H](F)C[NH2+]1 ZINC000362893349 138079563 /nfs/dbraw/zinc/07/95/63/138079563.db2.gz NSXUSIMITPFXGS-GHMZBOCLSA-N 2 2 268.336 0.855 20 0 CCADLP Cc1c(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cnn1C ZINC000362684773 138069925 /nfs/dbraw/zinc/06/99/25/138069925.db2.gz QIOGBNOKXSACBJ-CQSZACIVSA-N 2 2 291.399 0.125 20 0 CCADLP Cc1c(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cnn1C ZINC000362684773 138069926 /nfs/dbraw/zinc/06/99/26/138069926.db2.gz QIOGBNOKXSACBJ-CQSZACIVSA-N 2 2 291.399 0.125 20 0 CCADLP O=C(NCCC[NH+]1CCOCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000363197167 138088204 /nfs/dbraw/zinc/08/82/04/138088204.db2.gz IMJMOIMTUVYTQS-ZDUSSCGKSA-N 2 2 292.383 0.284 20 0 CCADLP C[C@@H]1CC[C@@H](C[N@H+](C)C2CC[NH+](CCO)CC2)O1 ZINC000354890651 356522197 /nfs/dbraw/zinc/52/21/97/356522197.db2.gz JPVZYEOXPHPUEY-OCCSQVGLSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@@H]1CC[C@@H](C[N@@H+](C)C2CC[NH+](CCO)CC2)O1 ZINC000354890651 356522199 /nfs/dbraw/zinc/52/21/99/356522199.db2.gz JPVZYEOXPHPUEY-OCCSQVGLSA-N 2 2 256.390 0.942 20 0 CCADLP CCOC[C@@H](O)C[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000354856776 356515418 /nfs/dbraw/zinc/51/54/18/356515418.db2.gz VIALNUPFVCORDG-HIFRSBDPSA-N 2 2 286.416 0.569 20 0 CCADLP Cn1cc(C[NH+]2CCN(C(=O)[C@H]3CCCC[NH2+]3)CC2)cn1 ZINC000431008956 235541994 /nfs/dbraw/zinc/54/19/94/235541994.db2.gz UZJHEWUDYKANOK-CQSZACIVSA-N 2 2 291.399 0.206 20 0 CCADLP COC[C@H](C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354983066 356542984 /nfs/dbraw/zinc/54/29/84/356542984.db2.gz IWMUTHJKDIMSRM-UONOGXRCSA-N 2 2 297.443 0.896 20 0 CCADLP COC[C@H](C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354983066 356542987 /nfs/dbraw/zinc/54/29/87/356542987.db2.gz IWMUTHJKDIMSRM-UONOGXRCSA-N 2 2 297.443 0.896 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NC[C@@H]2CCC[N@H+]2C)no1 ZINC000355864210 356661847 /nfs/dbraw/zinc/66/18/47/356661847.db2.gz YHCXQCDXUSRHDW-JTQLQIEISA-N 2 2 266.345 0.560 20 0 CCADLP C[NH+](C)Cc1cnc(C[NH2+][C@H](CO)[C@H]2CCCO2)s1 ZINC000352713292 219582455 /nfs/dbraw/zinc/58/24/55/219582455.db2.gz SBEMCMOXTZERQC-VXGBXAGGSA-N 2 2 285.413 0.834 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1CCC[NH+]1C ZINC000356198515 356721950 /nfs/dbraw/zinc/72/19/50/356721950.db2.gz DDPICYIWKNKNIF-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1CCC[NH+]1C ZINC000356198515 356721952 /nfs/dbraw/zinc/72/19/52/356721952.db2.gz DDPICYIWKNKNIF-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000356198515 356721954 /nfs/dbraw/zinc/72/19/54/356721954.db2.gz DDPICYIWKNKNIF-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000356198515 356721955 /nfs/dbraw/zinc/72/19/55/356721955.db2.gz DDPICYIWKNKNIF-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000532749318 358511846 /nfs/dbraw/zinc/51/18/46/358511846.db2.gz XIBGURGBRSBZJD-STQMWFEESA-N 2 2 276.384 0.904 20 0 CCADLP C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000532749318 358511849 /nfs/dbraw/zinc/51/18/49/358511849.db2.gz XIBGURGBRSBZJD-STQMWFEESA-N 2 2 276.384 0.904 20 0 CCADLP C[C@H](C(=O)NCc1cccs1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359307277 356799378 /nfs/dbraw/zinc/79/93/78/356799378.db2.gz NEHANYMNCSMZMN-WOPDTQHZSA-N 2 2 279.409 0.904 20 0 CCADLP COc1coc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1=O ZINC000359321409 356801793 /nfs/dbraw/zinc/80/17/93/356801793.db2.gz LXNPHFKPSNZLHX-UWVGGRQHSA-N 2 2 250.298 0.300 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC000619902698 366381853 /nfs/dbraw/zinc/38/18/53/366381853.db2.gz NMWLDSUGDRWJDM-LBPRGKRZSA-N 2 2 264.373 0.953 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC000619902698 366381860 /nfs/dbraw/zinc/38/18/60/366381860.db2.gz NMWLDSUGDRWJDM-LBPRGKRZSA-N 2 2 264.373 0.953 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+][C@@H](C)CN2CCOCC2)[C@@H](C)C1 ZINC000359933676 356921890 /nfs/dbraw/zinc/92/18/90/356921890.db2.gz KHCNWMYTZUOSIQ-IHRRRGAJSA-N 2 2 255.406 0.637 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)CN2CCOCC2)[C@@H](C)C1 ZINC000359933676 356921894 /nfs/dbraw/zinc/92/18/94/356921894.db2.gz KHCNWMYTZUOSIQ-IHRRRGAJSA-N 2 2 255.406 0.637 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC000362384945 357054009 /nfs/dbraw/zinc/05/40/09/357054009.db2.gz OOHXXNRJZZTWGC-ZDUSSCGKSA-N 2 2 253.390 0.882 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC000362384945 357054010 /nfs/dbraw/zinc/05/40/10/357054010.db2.gz OOHXXNRJZZTWGC-ZDUSSCGKSA-N 2 2 253.390 0.882 20 0 CCADLP C[NH+](C)CCn1ccc(=NC(=O)[C@@H]2CCCCC[NH2+]2)[nH]1 ZINC000364133654 357087958 /nfs/dbraw/zinc/08/79/58/357087958.db2.gz YYQCEZWLBBVDJH-LBPRGKRZSA-N 2 2 279.388 0.337 20 0 CCADLP C[C@@H](CNC(=O)C[C@H]1CCC[NH2+]CC1)[NH+]1CCN(C)CC1 ZINC000364220310 357099395 /nfs/dbraw/zinc/09/93/95/357099395.db2.gz LWUAESZEOFIHPQ-GJZGRUSLSA-N 2 2 296.459 0.518 20 0 CCADLP C[C@@H]1CN(C)C[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655732482 412651782 /nfs/dbraw/zinc/65/17/82/412651782.db2.gz CTSZGUOLDWSVJT-BPLDGKMQSA-N 2 2 267.417 0.779 20 0 CCADLP [NH3+]Cc1cc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)co1 ZINC000375978138 357422136 /nfs/dbraw/zinc/42/21/36/357422136.db2.gz WUWKQUCLVKSABG-UONOGXRCSA-N 2 2 293.367 0.410 20 0 CCADLP Cc1cc(N2CCC[N@H+](CC(N)=O)CC2)nc(C2CC2)[nH+]1 ZINC000377734212 357608862 /nfs/dbraw/zinc/60/88/62/357608862.db2.gz HNYUIKXPFGLZNM-UHFFFAOYSA-N 2 2 289.383 0.660 20 0 CCADLP Cc1cc(N2CCC[N@@H+](CC(N)=O)CC2)nc(C2CC2)[nH+]1 ZINC000377734212 357608869 /nfs/dbraw/zinc/60/88/69/357608869.db2.gz HNYUIKXPFGLZNM-UHFFFAOYSA-N 2 2 289.383 0.660 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000449321722 236027644 /nfs/dbraw/zinc/02/76/44/236027644.db2.gz UKCYUHHNASUCBE-ZYHUDNBSSA-N 2 2 262.357 0.619 20 0 CCADLP CC1(C)NC(=O)CC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655766655 412657942 /nfs/dbraw/zinc/65/79/42/412657942.db2.gz SXZPYLJZQOCVFT-KGLIPLIRSA-N 2 2 295.427 0.887 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCS(=O)(=O)N(C)C ZINC000384013743 357719585 /nfs/dbraw/zinc/71/95/85/357719585.db2.gz QEVGWKPLHZHRSV-NSHDSACASA-N 2 2 265.423 0.183 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCS(=O)(=O)N(C)C ZINC000384013743 357719590 /nfs/dbraw/zinc/71/95/90/357719590.db2.gz QEVGWKPLHZHRSV-NSHDSACASA-N 2 2 265.423 0.183 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000385119957 357724531 /nfs/dbraw/zinc/72/45/31/357724531.db2.gz VUQGCNMHZUEFOW-UTUOFQBUSA-N 2 2 275.418 0.080 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000385119957 357724534 /nfs/dbraw/zinc/72/45/34/357724534.db2.gz VUQGCNMHZUEFOW-UTUOFQBUSA-N 2 2 275.418 0.080 20 0 CCADLP NC(=O)c1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC000449389078 236031695 /nfs/dbraw/zinc/03/16/95/236031695.db2.gz BWKVUVHZQABXNM-HNNXBMFYSA-N 2 2 291.395 0.722 20 0 CCADLP NC(=O)c1ccc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1 ZINC000449389078 236031697 /nfs/dbraw/zinc/03/16/97/236031697.db2.gz BWKVUVHZQABXNM-HNNXBMFYSA-N 2 2 291.395 0.722 20 0 CCADLP Cn1cccc1C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449393143 236032218 /nfs/dbraw/zinc/03/22/18/236032218.db2.gz LLMCVBWYFFUINQ-AWEZNQCLSA-N 2 2 251.374 0.962 20 0 CCADLP Cn1cccc1C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449393143 236032220 /nfs/dbraw/zinc/03/22/20/236032220.db2.gz LLMCVBWYFFUINQ-AWEZNQCLSA-N 2 2 251.374 0.962 20 0 CCADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCC(N)=O ZINC000389849411 357738916 /nfs/dbraw/zinc/73/89/16/357738916.db2.gz TWTGFQMZFBGCEB-TZMCWYRMSA-N 2 2 261.369 0.972 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCC(N)=O ZINC000389849411 357738922 /nfs/dbraw/zinc/73/89/22/357738922.db2.gz TWTGFQMZFBGCEB-TZMCWYRMSA-N 2 2 261.369 0.972 20 0 CCADLP Cc1nc(NCCC[N@@H+](C)Cc2ccccc2)nc(N)[nH+]1 ZINC000393950330 357753118 /nfs/dbraw/zinc/75/31/18/357753118.db2.gz VUNYXWVUORXXRE-UHFFFAOYSA-N 2 2 286.383 0.948 20 0 CCADLP Cc1nc(NCCC[N@H+](C)Cc2ccccc2)nc(N)[nH+]1 ZINC000393950330 357753120 /nfs/dbraw/zinc/75/31/20/357753120.db2.gz VUNYXWVUORXXRE-UHFFFAOYSA-N 2 2 286.383 0.948 20 0 CCADLP Cc1nc(N)nc(NCCC[N@@H+](C)Cc2ccccc2)[nH+]1 ZINC000393950330 357753124 /nfs/dbraw/zinc/75/31/24/357753124.db2.gz VUNYXWVUORXXRE-UHFFFAOYSA-N 2 2 286.383 0.948 20 0 CCADLP Cc1nc(N)nc(NCCC[N@H+](C)Cc2ccccc2)[nH+]1 ZINC000393950330 357753127 /nfs/dbraw/zinc/75/31/27/357753127.db2.gz VUNYXWVUORXXRE-UHFFFAOYSA-N 2 2 286.383 0.948 20 0 CCADLP COCC1(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CCC1 ZINC000561198585 291120961 /nfs/dbraw/zinc/12/09/61/291120961.db2.gz XYVVVHLNIMGZLG-GFCCVEGCSA-N 2 2 284.404 0.087 20 0 CCADLP COCC1(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CCC1 ZINC000561198585 291120963 /nfs/dbraw/zinc/12/09/63/291120963.db2.gz XYVVVHLNIMGZLG-GFCCVEGCSA-N 2 2 284.404 0.087 20 0 CCADLP CNc1nc(NC[C@@H]2C[NH2+]CCCO2)[nH+]c2ccccc21 ZINC000561267731 291125266 /nfs/dbraw/zinc/12/52/66/291125266.db2.gz UNZDLUVMYMFWJV-NSHDSACASA-N 2 2 287.367 0.306 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)[C@H]1CCCO1 ZINC000453258610 236274616 /nfs/dbraw/zinc/27/46/16/236274616.db2.gz HYUQFWSMDCSJNU-MELADBBJSA-N 2 2 256.390 0.990 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)[C@H]1CCCO1 ZINC000453258610 236274619 /nfs/dbraw/zinc/27/46/19/236274619.db2.gz HYUQFWSMDCSJNU-MELADBBJSA-N 2 2 256.390 0.990 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000454268256 236288641 /nfs/dbraw/zinc/28/86/41/236288641.db2.gz PZJZPRCSGFAWAR-MCIONIFRSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000454268256 236288645 /nfs/dbraw/zinc/28/86/45/236288645.db2.gz PZJZPRCSGFAWAR-MCIONIFRSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@@H]1CC[N@H+](CC[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000561972416 291135991 /nfs/dbraw/zinc/13/59/91/291135991.db2.gz UDVDURDUIUGXNR-XIKARTHZSA-N 2 2 294.399 0.439 20 0 CCADLP C[C@@H]1CC[N@@H+](CC[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000561972416 291135994 /nfs/dbraw/zinc/13/59/94/291135994.db2.gz UDVDURDUIUGXNR-XIKARTHZSA-N 2 2 294.399 0.439 20 0 CCADLP CC[C@@H](O)C[NH+]1CCN(Cc2c[nH+]cn2CC)CC1 ZINC000417787026 358140776 /nfs/dbraw/zinc/14/07/76/358140776.db2.gz FQLBENCPOLHHMT-CQSZACIVSA-N 2 2 266.389 0.792 20 0 CCADLP C[C@H]1CC[N@H+](CCCS(=O)(=O)N(C)C)[C@@H](C[NH3+])C1 ZINC000420347188 358180449 /nfs/dbraw/zinc/18/04/49/358180449.db2.gz XXDTVUNXQLPLLM-NWDGAFQWSA-N 2 2 277.434 0.327 20 0 CCADLP C[C@H]1CC[N@@H+](CCCS(=O)(=O)N(C)C)[C@@H](C[NH3+])C1 ZINC000420347188 358180450 /nfs/dbraw/zinc/18/04/50/358180450.db2.gz XXDTVUNXQLPLLM-NWDGAFQWSA-N 2 2 277.434 0.327 20 0 CCADLP C[C@H](C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)CS(C)(=O)=O ZINC000420375529 358180459 /nfs/dbraw/zinc/18/04/59/358180459.db2.gz TWYVDSFKFMKLNV-WRWGMCAJSA-N 2 2 262.419 0.643 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000422746933 358192996 /nfs/dbraw/zinc/19/29/96/358192996.db2.gz XOJWBUHAMISSQJ-GOEBONIOSA-N 3 2 282.476 0.848 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCc2c(nnn2C)C1 ZINC000655830772 412668198 /nfs/dbraw/zinc/66/81/98/412668198.db2.gz WYQUQYRBDCCGBK-SUNKGSAMSA-N 2 2 275.400 0.745 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCc2c(nnn2C)C1 ZINC000655830772 412668202 /nfs/dbraw/zinc/66/82/02/412668202.db2.gz WYQUQYRBDCCGBK-SUNKGSAMSA-N 2 2 275.400 0.745 20 0 CCADLP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000423689155 358203976 /nfs/dbraw/zinc/20/39/76/358203976.db2.gz YEWMOFLLGQJUCA-GMXVVIOVSA-N 2 2 269.389 0.482 20 0 CCADLP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000423689155 358203978 /nfs/dbraw/zinc/20/39/78/358203978.db2.gz YEWMOFLLGQJUCA-GMXVVIOVSA-N 2 2 269.389 0.482 20 0 CCADLP C[C@@H](C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000429136057 358223375 /nfs/dbraw/zinc/22/33/75/358223375.db2.gz PLCIAKUQBNVYIM-AGIUHOORSA-N 2 2 269.389 0.293 20 0 CCADLP C[C@@H](C(=O)N1CCC[C@@H]([NH+](C)C)CC1)[NH+]1CCN(C)CC1 ZINC000430422355 358227130 /nfs/dbraw/zinc/22/71/30/358227130.db2.gz DOJGBZCYZUGQQA-LSDHHAIUSA-N 2 2 296.459 0.565 20 0 CCADLP [NH3+]C[C@H]1CCC[N@@H+]1CCN1C(=O)NC2(CCCC2)C1=O ZINC000430539007 358227401 /nfs/dbraw/zinc/22/74/01/358227401.db2.gz DBDJCOHIZIOQKP-LLVKDONJSA-N 2 2 280.372 0.274 20 0 CCADLP [NH3+]C[C@H]1CCC[N@H+]1CCN1C(=O)NC2(CCCC2)C1=O ZINC000430539007 358227404 /nfs/dbraw/zinc/22/74/04/358227404.db2.gz DBDJCOHIZIOQKP-LLVKDONJSA-N 2 2 280.372 0.274 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC000430605888 358228705 /nfs/dbraw/zinc/22/87/05/358228705.db2.gz SWWDBWCCWIRVGZ-VXGBXAGGSA-N 2 2 284.404 0.541 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC000430605888 358228708 /nfs/dbraw/zinc/22/87/08/358228708.db2.gz SWWDBWCCWIRVGZ-VXGBXAGGSA-N 2 2 284.404 0.541 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC000430934032 358229294 /nfs/dbraw/zinc/22/92/94/358229294.db2.gz NCSKIGAVZTVRPA-WDEREUQCSA-N 2 2 270.377 0.150 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC000430934032 358229298 /nfs/dbraw/zinc/22/92/98/358229298.db2.gz NCSKIGAVZTVRPA-WDEREUQCSA-N 2 2 270.377 0.150 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N[C@@H](C)C[NH+](C)C)[NH+]1CCOCC1 ZINC000493878463 358311399 /nfs/dbraw/zinc/31/13/99/358311399.db2.gz LRQHWPXJPHQXSK-RWMBFGLXSA-N 2 2 286.420 0.345 20 0 CCADLP O=C(NCC[C@H]1CCC[NH2+]1)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000517540184 358342671 /nfs/dbraw/zinc/34/26/71/358342671.db2.gz CYUGRNYWDPYJTB-MCIONIFRSA-N 2 2 296.415 0.291 20 0 CCADLP O=C(NCC[C@H]1CCC[NH2+]1)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000517540184 358342678 /nfs/dbraw/zinc/34/26/78/358342678.db2.gz CYUGRNYWDPYJTB-MCIONIFRSA-N 2 2 296.415 0.291 20 0 CCADLP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)C[NH+](C)C)cc1 ZINC000529838420 358350036 /nfs/dbraw/zinc/35/00/36/358350036.db2.gz QZFRNMHVABTALV-CQSZACIVSA-N 2 2 291.395 0.947 20 0 CCADLP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)C[NH+](C)C)cc1 ZINC000529838420 358350038 /nfs/dbraw/zinc/35/00/38/358350038.db2.gz QZFRNMHVABTALV-CQSZACIVSA-N 2 2 291.395 0.947 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000530575467 358408752 /nfs/dbraw/zinc/40/87/52/358408752.db2.gz BZUONRDVGPEOFN-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000530575467 358408757 /nfs/dbraw/zinc/40/87/57/358408757.db2.gz BZUONRDVGPEOFN-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)Cn1cccn1 ZINC000530245402 358385332 /nfs/dbraw/zinc/38/53/32/358385332.db2.gz YDYASDPNZOOARB-CABCVRRESA-N 2 2 278.400 0.851 20 0 CCADLP O[C@@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1)Cn1cccn1 ZINC000530245402 358385333 /nfs/dbraw/zinc/38/53/33/358385333.db2.gz YDYASDPNZOOARB-CABCVRRESA-N 2 2 278.400 0.851 20 0 CCADLP C[C@H](CC(=O)NCC[N@@H+]1CCOC[C@H]1C)n1cc[nH+]c1 ZINC000568021329 358625646 /nfs/dbraw/zinc/62/56/46/358625646.db2.gz QKTZIDCHJWGYKX-CHWSQXEVSA-N 2 2 280.372 0.671 20 0 CCADLP C[C@H](CC(=O)NCC[N@H+]1CCOC[C@H]1C)n1cc[nH+]c1 ZINC000568021329 358625648 /nfs/dbraw/zinc/62/56/48/358625648.db2.gz QKTZIDCHJWGYKX-CHWSQXEVSA-N 2 2 280.372 0.671 20 0 CCADLP COC[C@]1(C(=O)N(C)CCCn2cc[nH+]c2)CC[NH2+]C1 ZINC000567818488 358591544 /nfs/dbraw/zinc/59/15/44/358591544.db2.gz AYGRDNXFQNJCQI-AWEZNQCLSA-N 2 2 280.372 0.358 20 0 CCADLP CCOc1ccccc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000568259318 358658385 /nfs/dbraw/zinc/65/83/85/358658385.db2.gz COGIHKPDSOHZJY-KBPBESRZSA-N 2 2 289.379 0.829 20 0 CCADLP CCOc1ccccc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000568259318 358658387 /nfs/dbraw/zinc/65/83/87/358658387.db2.gz COGIHKPDSOHZJY-KBPBESRZSA-N 2 2 289.379 0.829 20 0 CCADLP C[C@@H](Cc1cccs1)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000568737084 358699725 /nfs/dbraw/zinc/69/97/25/358699725.db2.gz BNROXJIRZWSSGF-RYUDHWBXSA-N 2 2 296.440 0.963 20 0 CCADLP C[C@@H](Cc1cccs1)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000568737084 358699730 /nfs/dbraw/zinc/69/97/30/358699730.db2.gz BNROXJIRZWSSGF-RYUDHWBXSA-N 2 2 296.440 0.963 20 0 CCADLP Cn1ccnc1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000569318553 358752255 /nfs/dbraw/zinc/75/22/55/358752255.db2.gz NKIAHFXMTBFPSW-UHFFFAOYSA-N 2 2 252.362 0.357 20 0 CCADLP O=C(C[C@@H]1COCC[NH2+]1)Nc1ccc2[nH+]ccn2c1 ZINC000569358185 358757568 /nfs/dbraw/zinc/75/75/68/358757568.db2.gz MSGIMDLELGGRBA-LLVKDONJSA-N 2 2 260.297 0.651 20 0 CCADLP Cc1nc(N)c(CNC(=O)C2CC[NH+](C(C)C)CC2)c[nH+]1 ZINC000568886257 358716131 /nfs/dbraw/zinc/71/61/31/358716131.db2.gz LQGYKTIXWRIUIK-UHFFFAOYSA-N 2 2 291.399 0.934 20 0 CCADLP COc1nc2ccccc2cc1C[N@H+](C)C[C@H](O)C[NH3+] ZINC000568962741 358719854 /nfs/dbraw/zinc/71/98/54/358719854.db2.gz SHYTYBZAOHCWSK-CYBMUJFWSA-N 2 2 275.352 0.995 20 0 CCADLP COc1nc2ccccc2cc1C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000568962741 358719856 /nfs/dbraw/zinc/71/98/56/358719856.db2.gz SHYTYBZAOHCWSK-CYBMUJFWSA-N 2 2 275.352 0.995 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@H](CO)c1ccccc1 ZINC000568996540 358724183 /nfs/dbraw/zinc/72/41/83/358724183.db2.gz JIJVXPLTORXACP-JKSUJKDBSA-N 2 2 296.411 0.591 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](CO)c1ccccc1 ZINC000568996540 358724186 /nfs/dbraw/zinc/72/41/86/358724186.db2.gz JIJVXPLTORXACP-JKSUJKDBSA-N 2 2 296.411 0.591 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](CO)c1ccccc1 ZINC000568996540 358724191 /nfs/dbraw/zinc/72/41/91/358724191.db2.gz JIJVXPLTORXACP-JKSUJKDBSA-N 2 2 296.411 0.591 20 0 CCADLP Cc1[nH+]ccn1CC[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000570081863 358819957 /nfs/dbraw/zinc/81/99/57/358819957.db2.gz KEQMTBAJMLMYGK-VNHYZAJKSA-N 3 2 296.415 0.251 20 0 CCADLP Cc1[nH+]ccn1CC[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000570081863 358819960 /nfs/dbraw/zinc/81/99/60/358819960.db2.gz KEQMTBAJMLMYGK-VNHYZAJKSA-N 3 2 296.415 0.251 20 0 CCADLP C[N@@H+]1CCc2ncnc(NC[C@@H]3CCC[C@@H]([NH3+])C3)c2C1 ZINC000569913172 358804201 /nfs/dbraw/zinc/80/42/01/358804201.db2.gz ZBYYASRPAZLXIZ-VXGBXAGGSA-N 2 2 275.400 0.816 20 0 CCADLP C[N@H+]1CCc2ncnc(NC[C@@H]3CCC[C@@H]([NH3+])C3)c2C1 ZINC000569913172 358804205 /nfs/dbraw/zinc/80/42/05/358804205.db2.gz ZBYYASRPAZLXIZ-VXGBXAGGSA-N 2 2 275.400 0.816 20 0 CCADLP C[C@H](C[NH2+]CCC(=O)NC(N)=O)[N@H+](C)Cc1ccccc1 ZINC000569921232 358805276 /nfs/dbraw/zinc/80/52/76/358805276.db2.gz PKAZZDVNXROIQD-GFCCVEGCSA-N 2 2 292.383 0.682 20 0 CCADLP C[C@H](C[NH2+]CCC(=O)NC(N)=O)[N@@H+](C)Cc1ccccc1 ZINC000569921232 358805278 /nfs/dbraw/zinc/80/52/78/358805278.db2.gz PKAZZDVNXROIQD-GFCCVEGCSA-N 2 2 292.383 0.682 20 0 CCADLP CCOCC[N@@H+]1CCN(C(=O)[C@H](C)[NH+]2CC(C)C2)C[C@H]1C ZINC000570582271 358872267 /nfs/dbraw/zinc/87/22/67/358872267.db2.gz RGSWAHOSCZZDAI-CABCVRRESA-N 2 2 297.443 0.896 20 0 CCADLP CCOCC[N@H+]1CCN(C(=O)[C@H](C)[NH+]2CC(C)C2)C[C@H]1C ZINC000570582271 358872269 /nfs/dbraw/zinc/87/22/69/358872269.db2.gz RGSWAHOSCZZDAI-CABCVRRESA-N 2 2 297.443 0.896 20 0 CCADLP COc1ccccc1[C@H](CO)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000570320504 358845302 /nfs/dbraw/zinc/84/53/02/358845302.db2.gz OARFUIFIQCEVPP-ZFWWWQNUSA-N 2 2 294.395 0.773 20 0 CCADLP COc1ccccc1[C@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000570320504 358845306 /nfs/dbraw/zinc/84/53/06/358845306.db2.gz OARFUIFIQCEVPP-ZFWWWQNUSA-N 2 2 294.395 0.773 20 0 CCADLP C[C@@H](c1cnccn1)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000571166089 358917187 /nfs/dbraw/zinc/91/71/87/358917187.db2.gz RXMVYNJHIOXJAA-QWHCGFSZSA-N 2 2 289.383 0.434 20 0 CCADLP C[C@@H](c1cnccn1)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000571166089 358917191 /nfs/dbraw/zinc/91/71/91/358917191.db2.gz RXMVYNJHIOXJAA-QWHCGFSZSA-N 2 2 289.383 0.434 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000570632190 358877080 /nfs/dbraw/zinc/87/70/80/358877080.db2.gz FGDYHQJRHVLLOS-NEPJUHHUSA-N 2 2 280.434 0.102 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[C@H]([NH+]3CCCC3)C2)nc[nH+]1 ZINC000562721660 291165070 /nfs/dbraw/zinc/16/50/70/291165070.db2.gz NYICVPHZZHGOTR-STQMWFEESA-N 2 2 291.399 0.944 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1c[nH+]c(C)nc1N ZINC000570804146 358897235 /nfs/dbraw/zinc/89/72/35/358897235.db2.gz LUQYTPMNKPZETL-GFCCVEGCSA-N 2 2 277.372 0.688 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCc1c[nH+]c(C)nc1N ZINC000570804146 358897240 /nfs/dbraw/zinc/89/72/40/358897240.db2.gz LUQYTPMNKPZETL-GFCCVEGCSA-N 2 2 277.372 0.688 20 0 CCADLP Cc1cc(CNC(=O)N2CCN(C)C[C@H]2C[NH3+])cc(C)[nH+]1 ZINC000573354937 358960344 /nfs/dbraw/zinc/96/03/44/358960344.db2.gz CFVLTLLVALVKQL-CQSZACIVSA-N 2 2 291.399 0.483 20 0 CCADLP COc1cccnc1C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000573454640 358968745 /nfs/dbraw/zinc/96/87/45/358968745.db2.gz ULNRMMCSWFGHAX-RYUDHWBXSA-N 2 2 265.357 0.947 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]([NH3+])Cc2ccccc2)CCO1 ZINC000573493975 358972722 /nfs/dbraw/zinc/97/27/22/358972722.db2.gz LKIBJAKKSGAKKN-HIFRSBDPSA-N 2 2 291.395 0.393 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]([NH3+])Cc2ccccc2)CCO1 ZINC000573493975 358972728 /nfs/dbraw/zinc/97/27/28/358972728.db2.gz LKIBJAKKSGAKKN-HIFRSBDPSA-N 2 2 291.395 0.393 20 0 CCADLP C[NH+](C)[C@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)C[C@@H]1O ZINC000573141587 358942543 /nfs/dbraw/zinc/94/25/43/358942543.db2.gz OPMZUGLVDILAQE-STQMWFEESA-N 2 2 288.351 0.010 20 0 CCADLP CC[N@H+](CC(=O)NCc1c[nH+]c(C)nc1N)C1CC1 ZINC000573152924 358943154 /nfs/dbraw/zinc/94/31/54/358943154.db2.gz BTYSXVFASKTWOF-UHFFFAOYSA-N 2 2 263.345 0.298 20 0 CCADLP CC[N@@H+](CC(=O)NCc1c[nH+]c(C)nc1N)C1CC1 ZINC000573152924 358943156 /nfs/dbraw/zinc/94/31/56/358943156.db2.gz BTYSXVFASKTWOF-UHFFFAOYSA-N 2 2 263.345 0.298 20 0 CCADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC000573200427 358946809 /nfs/dbraw/zinc/94/68/09/358946809.db2.gz SLFOIDMNGQGBQZ-NWDGAFQWSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@H+]1C[C@@H]2CCCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC000573200427 358946811 /nfs/dbraw/zinc/94/68/11/358946811.db2.gz SLFOIDMNGQGBQZ-NWDGAFQWSA-N 2 2 262.357 0.895 20 0 CCADLP [NH3+]C1(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CCC1 ZINC000573718594 358993963 /nfs/dbraw/zinc/99/39/63/358993963.db2.gz SDGDKYMJZNMXOF-UHFFFAOYSA-N 2 2 293.371 0.035 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000573754813 358996832 /nfs/dbraw/zinc/99/68/32/358996832.db2.gz FFCWUKVSETUNKA-KGLIPLIRSA-N 2 2 283.416 0.507 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000573754813 358996834 /nfs/dbraw/zinc/99/68/34/358996834.db2.gz FFCWUKVSETUNKA-KGLIPLIRSA-N 2 2 283.416 0.507 20 0 CCADLP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC000580025287 359075839 /nfs/dbraw/zinc/07/58/39/359075839.db2.gz OGYUCQMOMBEPPR-STQMWFEESA-N 2 2 262.357 0.826 20 0 CCADLP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC000580025287 359075840 /nfs/dbraw/zinc/07/58/40/359075840.db2.gz OGYUCQMOMBEPPR-STQMWFEESA-N 2 2 262.357 0.826 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)OC2(CCC2)C1 ZINC000580343737 359083005 /nfs/dbraw/zinc/08/30/05/359083005.db2.gz XAKZZLPSVGKQQL-UONOGXRCSA-N 2 2 286.416 0.569 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)OC2(CCC2)C1 ZINC000580343737 359083010 /nfs/dbraw/zinc/08/30/10/359083010.db2.gz XAKZZLPSVGKQQL-UONOGXRCSA-N 2 2 286.416 0.569 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000580343737 359083016 /nfs/dbraw/zinc/08/30/16/359083016.db2.gz XAKZZLPSVGKQQL-UONOGXRCSA-N 2 2 286.416 0.569 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000580930791 359109885 /nfs/dbraw/zinc/10/98/85/359109885.db2.gz BTXUSLQKIVGVMB-JKSUJKDBSA-N 3 2 298.475 0.011 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000580930791 359109889 /nfs/dbraw/zinc/10/98/89/359109889.db2.gz BTXUSLQKIVGVMB-JKSUJKDBSA-N 3 2 298.475 0.011 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000580930791 359109892 /nfs/dbraw/zinc/10/98/92/359109892.db2.gz BTXUSLQKIVGVMB-JKSUJKDBSA-N 3 2 298.475 0.011 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000580930791 359109895 /nfs/dbraw/zinc/10/98/95/359109895.db2.gz BTXUSLQKIVGVMB-JKSUJKDBSA-N 3 2 298.475 0.011 20 0 CCADLP C[NH+]1CCN([C@H](c2nc(C[NH3+])no2)c2ccccc2)CC1 ZINC000584590112 359176991 /nfs/dbraw/zinc/17/69/91/359176991.db2.gz LRWMYVYEZIQFKK-AWEZNQCLSA-N 2 2 287.367 0.865 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+](CCOC)[C@H]1CCOC1 ZINC000584788498 359206811 /nfs/dbraw/zinc/20/68/11/359206811.db2.gz MROOOCCLDVHCCO-QWHCGFSZSA-N 2 2 260.378 0.036 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](CCOC)[C@H]1CCOC1 ZINC000584788498 359206814 /nfs/dbraw/zinc/20/68/14/359206814.db2.gz MROOOCCLDVHCCO-QWHCGFSZSA-N 2 2 260.378 0.036 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](CCOC)[C@H]1CCOC1 ZINC000584788498 359206819 /nfs/dbraw/zinc/20/68/19/359206819.db2.gz MROOOCCLDVHCCO-QWHCGFSZSA-N 2 2 260.378 0.036 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](CCOC)[C@H]1CCOC1 ZINC000584788498 359206823 /nfs/dbraw/zinc/20/68/23/359206823.db2.gz MROOOCCLDVHCCO-QWHCGFSZSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2nccn2C)C1 ZINC000584789052 359208600 /nfs/dbraw/zinc/20/86/00/359208600.db2.gz VLOMJFYNKKOMJI-UONOGXRCSA-N 2 2 296.415 0.149 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2nccn2C)C1 ZINC000584789052 359208604 /nfs/dbraw/zinc/20/86/04/359208604.db2.gz VLOMJFYNKKOMJI-UONOGXRCSA-N 2 2 296.415 0.149 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000584789052 359208605 /nfs/dbraw/zinc/20/86/05/359208605.db2.gz VLOMJFYNKKOMJI-UONOGXRCSA-N 2 2 296.415 0.149 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000584789052 359208611 /nfs/dbraw/zinc/20/86/11/359208611.db2.gz VLOMJFYNKKOMJI-UONOGXRCSA-N 2 2 296.415 0.149 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)CSC ZINC000562983674 291177860 /nfs/dbraw/zinc/17/78/60/291177860.db2.gz CZKIYBZRBMAIPF-NWDGAFQWSA-N 2 2 262.419 0.411 20 0 CCADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)CSC ZINC000562983674 291177861 /nfs/dbraw/zinc/17/78/61/291177861.db2.gz CZKIYBZRBMAIPF-NWDGAFQWSA-N 2 2 262.419 0.411 20 0 CCADLP C[C@@H](O)[C@@H](C)[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000562986989 291178817 /nfs/dbraw/zinc/17/88/17/291178817.db2.gz KVHSMVOVWUKTIZ-HUUCEWRRSA-N 3 2 292.427 0.953 20 0 CCADLP CO[C@H](C[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC000562989831 291178929 /nfs/dbraw/zinc/17/89/29/291178929.db2.gz TYYVTTYLQVQFEK-APIJFGDWSA-N 2 2 288.432 0.717 20 0 CCADLP C[C@H](COCC(F)(F)F)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000562986714 291178199 /nfs/dbraw/zinc/17/81/99/291178199.db2.gz NYABQJDDJUINJS-MWLCHTKSSA-N 2 2 284.322 0.999 20 0 CCADLP C[C@H](COCC(F)(F)F)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000562986714 291178201 /nfs/dbraw/zinc/17/82/01/291178201.db2.gz NYABQJDDJUINJS-MWLCHTKSSA-N 2 2 284.322 0.999 20 0 CCADLP C[C@@H](NC(=O)NCCC[NH+](C)C)[C@@H](C)[NH+]1CCOCC1 ZINC000591538890 359599101 /nfs/dbraw/zinc/59/91/01/359599101.db2.gz VYFYSFBQFNIPNF-CHWSQXEVSA-N 2 2 286.420 0.347 20 0 CCADLP C[N@@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC000591643309 359625238 /nfs/dbraw/zinc/62/52/38/359625238.db2.gz YWQDGRNABFLYEU-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP C[N@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC000591643309 359625242 /nfs/dbraw/zinc/62/52/42/359625242.db2.gz YWQDGRNABFLYEU-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP CCOC(=O)CC[C@H](O)C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000591733979 359649771 /nfs/dbraw/zinc/64/97/71/359649771.db2.gz RTQWTMBBKIMDPH-RYUDHWBXSA-N 2 2 258.362 0.374 20 0 CCADLP CCOC(=O)CC[C@H](O)C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000591733979 359649773 /nfs/dbraw/zinc/64/97/73/359649773.db2.gz RTQWTMBBKIMDPH-RYUDHWBXSA-N 2 2 258.362 0.374 20 0 CCADLP CC(C)OCCCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000563101658 291193211 /nfs/dbraw/zinc/19/32/11/291193211.db2.gz KSSZJPWMVULQCJ-GFCCVEGCSA-N 2 2 257.378 0.293 20 0 CCADLP CC(C)OCCCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000563101658 291193213 /nfs/dbraw/zinc/19/32/13/291193213.db2.gz KSSZJPWMVULQCJ-GFCCVEGCSA-N 2 2 257.378 0.293 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)NC[C@@H]1CCCO1 ZINC000591915796 359694195 /nfs/dbraw/zinc/69/41/95/359694195.db2.gz RABIOPBRUDRPRW-KGLIPLIRSA-N 2 2 292.383 0.815 20 0 CCADLP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)NC[C@@H]1CCCO1 ZINC000591915796 359694197 /nfs/dbraw/zinc/69/41/97/359694197.db2.gz RABIOPBRUDRPRW-KGLIPLIRSA-N 2 2 292.383 0.815 20 0 CCADLP [NH3+][C@@H](CNC(=O)C1CC[NH+](CC(F)F)CC1)C1CC1 ZINC000563109481 291194464 /nfs/dbraw/zinc/19/44/64/291194464.db2.gz LYYYGTHUHZPKGE-NSHDSACASA-N 2 2 275.343 0.817 20 0 CCADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)CC(C)(C)[NH3+])C2)CC1 ZINC000592134001 359762682 /nfs/dbraw/zinc/76/26/82/359762682.db2.gz AEAUBPLOWYKOIZ-CYBMUJFWSA-N 2 2 282.432 0.352 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1[nH+]ccn1C ZINC000620612530 366546620 /nfs/dbraw/zinc/54/66/20/366546620.db2.gz XQGHMEXPROLHRH-GMTAPVOTSA-N 2 2 250.346 0.938 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1[nH+]ccn1C ZINC000620612530 366546627 /nfs/dbraw/zinc/54/66/27/366546627.db2.gz XQGHMEXPROLHRH-GMTAPVOTSA-N 2 2 250.346 0.938 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000563210685 291206116 /nfs/dbraw/zinc/20/61/16/291206116.db2.gz HVAPEYIXCNMXCL-RISCZKNCSA-N 2 2 262.357 0.907 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000563198383 291204422 /nfs/dbraw/zinc/20/44/22/291204422.db2.gz VJHPKCDSUNJHKB-AGIUHOORSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000563198383 291204423 /nfs/dbraw/zinc/20/44/23/291204423.db2.gz VJHPKCDSUNJHKB-AGIUHOORSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@]2(C)CCC[NH2+]C2)CCO1 ZINC000563198294 291204544 /nfs/dbraw/zinc/20/45/44/291204544.db2.gz NTAKHMFHOYKJSJ-TZMCWYRMSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@]2(C)CCC[NH2+]C2)CCO1 ZINC000563198294 291204546 /nfs/dbraw/zinc/20/45/46/291204546.db2.gz NTAKHMFHOYKJSJ-TZMCWYRMSA-N 2 2 269.389 0.213 20 0 CCADLP CC[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H](C)[NH2+]1 ZINC000620899541 366596222 /nfs/dbraw/zinc/59/62/22/366596222.db2.gz LYIOPKNAUFKJOQ-NWDGAFQWSA-N 2 2 264.373 0.952 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655920214 412696161 /nfs/dbraw/zinc/69/61/61/412696161.db2.gz FIVKIFCWPSTCKA-ZETCQYMHSA-N 2 2 279.266 0.451 20 0 CCADLP CCOC(=O)CCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593053133 360021742 /nfs/dbraw/zinc/02/17/42/360021742.db2.gz XMEHEEIZIXBBLO-UHFFFAOYSA-N 2 2 285.388 0.036 20 0 CCADLP CCOC(=O)CCC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593053133 360021743 /nfs/dbraw/zinc/02/17/43/360021743.db2.gz XMEHEEIZIXBBLO-UHFFFAOYSA-N 2 2 285.388 0.036 20 0 CCADLP COCC[NH+]1CCN(c2cc(NC[C@H](C)O)[nH+]cn2)CC1 ZINC000298243942 200370009 /nfs/dbraw/zinc/37/00/09/200370009.db2.gz MFGPKMVZPRXKHA-LBPRGKRZSA-N 2 2 295.387 0.038 20 0 CCADLP CS(=O)(=O)NCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000593292558 360062494 /nfs/dbraw/zinc/06/24/94/360062494.db2.gz HERJXWIKKQJRHX-LLVKDONJSA-N 2 2 272.374 0.069 20 0 CCADLP CS(=O)(=O)NCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000593292558 360062498 /nfs/dbraw/zinc/06/24/98/360062498.db2.gz HERJXWIKKQJRHX-LLVKDONJSA-N 2 2 272.374 0.069 20 0 CCADLP C[C@H](O)CNc1cc(N2CCC[N@H+](C)CC2)nc[nH+]1 ZINC000298197306 200357301 /nfs/dbraw/zinc/35/73/01/200357301.db2.gz HXWOAMILBITVFH-NSHDSACASA-N 2 2 265.361 0.411 20 0 CCADLP C[C@H](O)CNc1cc(N2CCC[N@@H+](C)CC2)nc[nH+]1 ZINC000298197306 200357302 /nfs/dbraw/zinc/35/73/02/200357302.db2.gz HXWOAMILBITVFH-NSHDSACASA-N 2 2 265.361 0.411 20 0 CCADLP CCOC(=O)CC[C@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593907732 360205228 /nfs/dbraw/zinc/20/52/28/360205228.db2.gz SWGUCHWCYZKNAW-WDEREUQCSA-N 2 2 273.377 0.113 20 0 CCADLP C[NH+](C)Cc1ccnc(NC(=O)[C@H]2C[N@H+](C)CCO2)c1 ZINC000176947019 189016489 /nfs/dbraw/zinc/01/64/89/189016489.db2.gz JDCOWAWURWMLCR-GFCCVEGCSA-N 2 2 278.356 0.412 20 0 CCADLP C[NH+](C)Cc1ccnc(NC(=O)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000176947019 189016490 /nfs/dbraw/zinc/01/64/90/189016490.db2.gz JDCOWAWURWMLCR-GFCCVEGCSA-N 2 2 278.356 0.412 20 0 CCADLP COC(=O)C1(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)CCCCC1 ZINC000593907773 360205508 /nfs/dbraw/zinc/20/55/08/360205508.db2.gz UYUHQEZCWLEUQQ-GFCCVEGCSA-N 2 2 299.415 0.505 20 0 CCADLP CSC[C@@H](CCO)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000594495175 360323858 /nfs/dbraw/zinc/32/38/58/360323858.db2.gz MYUIOPKVLFIRTQ-KGLIPLIRSA-N 2 2 288.457 0.943 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000595142208 360442816 /nfs/dbraw/zinc/44/28/16/360442816.db2.gz PHIMQDUJAKUTPF-NEPJUHHUSA-N 2 2 260.345 0.800 20 0 CCADLP COCC[N@H+](C)CC[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000595147212 360443669 /nfs/dbraw/zinc/44/36/69/360443669.db2.gz RPIBCMRDDBRLLF-GFCCVEGCSA-N 2 2 267.377 0.093 20 0 CCADLP COCC[N@@H+](C)CC[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000595147212 360443673 /nfs/dbraw/zinc/44/36/73/360443673.db2.gz RPIBCMRDDBRLLF-GFCCVEGCSA-N 2 2 267.377 0.093 20 0 CCADLP CNC(=O)[C@H](CCSC)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000594954779 360426344 /nfs/dbraw/zinc/42/63/44/360426344.db2.gz OHYNCFPTLWKFBT-NSHDSACASA-N 2 2 282.413 0.787 20 0 CCADLP COc1c(N)[nH+]cnc1NC[C@@H](C1CC1)[NH+](C)C ZINC000563418986 291227309 /nfs/dbraw/zinc/22/73/09/291227309.db2.gz WINNKLOBWWVXPK-VIFPVBQESA-N 2 2 251.334 0.241 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)n1C ZINC000563441907 291230332 /nfs/dbraw/zinc/23/03/32/291230332.db2.gz UPCTZSWCXIKVHD-OKILXGFUSA-N 2 2 264.373 0.681 20 0 CCADLP COC(=O)[C@H]1C[C@@H]([N@H+](C)C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000595855688 360679758 /nfs/dbraw/zinc/67/97/58/360679758.db2.gz FVAXIHNJSUXDKI-XQQFMLRXSA-N 2 2 272.389 0.571 20 0 CCADLP COC(=O)[C@H]1C[C@@H]([N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000595855688 360679763 /nfs/dbraw/zinc/67/97/63/360679763.db2.gz FVAXIHNJSUXDKI-XQQFMLRXSA-N 2 2 272.389 0.571 20 0 CCADLP COC(=O)[C@H]1C[C@@H]([NH+](C)C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000595855688 360679765 /nfs/dbraw/zinc/67/97/65/360679765.db2.gz FVAXIHNJSUXDKI-XQQFMLRXSA-N 2 2 272.389 0.571 20 0 CCADLP COC(=O)[C@H]1C[C@@H]([NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000595855688 360679769 /nfs/dbraw/zinc/67/97/69/360679769.db2.gz FVAXIHNJSUXDKI-XQQFMLRXSA-N 2 2 272.389 0.571 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000178463911 189118783 /nfs/dbraw/zinc/11/87/83/189118783.db2.gz VALBZYRDVVCGEB-NSHDSACASA-N 2 2 257.297 0.359 20 0 CCADLP [NH3+]C[C@H](NC(=O)N1CCn2c[nH+]cc2C1)C(F)(F)F ZINC000655928949 412704516 /nfs/dbraw/zinc/70/45/16/412704516.db2.gz WWMFDIPRDLQTEI-QMMMGPOBSA-N 2 2 277.250 0.298 20 0 CCADLP O=C(N[C@@H]1CCC[NH2+]C1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000178400796 189113435 /nfs/dbraw/zinc/11/34/35/189113435.db2.gz FXCVQYBEDNGQOJ-GFCCVEGCSA-N 2 2 271.324 0.749 20 0 CCADLP C[C@@H]([NH3+])CCNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000178695158 189138472 /nfs/dbraw/zinc/13/84/72/189138472.db2.gz BZUIXKROACYEAJ-SNVBAGLBSA-N 2 2 259.313 0.734 20 0 CCADLP CC(C)(C)n1nnc(C[NH+]2CCC(C[NH3+])CC2)n1 ZINC000655937005 412706889 /nfs/dbraw/zinc/70/68/89/412706889.db2.gz SDFXOBVQNHMYAZ-UHFFFAOYSA-N 2 2 252.366 0.599 20 0 CCADLP O=C(/C=C/c1[nH]cc[nH+]1)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000493593301 238231946 /nfs/dbraw/zinc/23/19/46/238231946.db2.gz QOUANSZGQQAAGS-FWEMWIAWSA-N 2 2 271.324 0.998 20 0 CCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[NH+](C)CC1 ZINC000299531135 200765561 /nfs/dbraw/zinc/76/55/61/200765561.db2.gz TUWJGQRPMURDJG-GFCCVEGCSA-N 2 2 279.388 0.785 20 0 CCADLP COC[C@](C)(CC(=O)OC)[NH2+]Cc1c[nH+]c(C)n1C ZINC000597081514 361005538 /nfs/dbraw/zinc/00/55/38/361005538.db2.gz BMEVKUOOLSNRCY-ZDUSSCGKSA-N 2 2 269.345 0.786 20 0 CCADLP CNS(=O)(=O)CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000621294667 366708429 /nfs/dbraw/zinc/70/84/29/366708429.db2.gz IWCXINSFFICQTD-FOSCPWQOSA-N 2 2 275.418 0.093 20 0 CCADLP CNS(=O)(=O)CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000621294667 366708437 /nfs/dbraw/zinc/70/84/37/366708437.db2.gz IWCXINSFFICQTD-FOSCPWQOSA-N 2 2 275.418 0.093 20 0 CCADLP CNS(=O)(=O)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000621294667 366708443 /nfs/dbraw/zinc/70/84/43/366708443.db2.gz IWCXINSFFICQTD-FOSCPWQOSA-N 2 2 275.418 0.093 20 0 CCADLP CNS(=O)(=O)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000621294667 366708446 /nfs/dbraw/zinc/70/84/46/366708446.db2.gz IWCXINSFFICQTD-FOSCPWQOSA-N 2 2 275.418 0.093 20 0 CCADLP CN(Cc1cnn(C)c1)C(=O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000563960429 291261242 /nfs/dbraw/zinc/26/12/42/291261242.db2.gz QEDRKTNGUWNCQH-CQSZACIVSA-N 2 2 279.388 0.096 20 0 CCADLP C[NH+](C)C1(CS(=O)(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000631811815 370681329 /nfs/dbraw/zinc/68/13/29/370681329.db2.gz QZHQWKFBESQRKD-UHFFFAOYSA-N 2 2 287.429 0.190 20 0 CCADLP COCC[N@H+](CCCn1cc[nH+]c1)[C@@H](C)C(N)=O ZINC000182767020 189334356 /nfs/dbraw/zinc/33/43/56/189334356.db2.gz RCBNGYPSCYLAHL-NSHDSACASA-N 2 2 254.334 0.095 20 0 CCADLP COCC[N@@H+](CCCn1cc[nH+]c1)[C@@H](C)C(N)=O ZINC000182767020 189334357 /nfs/dbraw/zinc/33/43/57/189334357.db2.gz RCBNGYPSCYLAHL-NSHDSACASA-N 2 2 254.334 0.095 20 0 CCADLP Cc1cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)ccn1 ZINC000598680375 361479184 /nfs/dbraw/zinc/47/91/84/361479184.db2.gz ADVKAHRYWCHLBG-STQMWFEESA-N 2 2 260.341 0.134 20 0 CCADLP Cc1cc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)ccn1 ZINC000598680375 361479191 /nfs/dbraw/zinc/47/91/91/361479191.db2.gz ADVKAHRYWCHLBG-STQMWFEESA-N 2 2 260.341 0.134 20 0 CCADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000599084980 361568669 /nfs/dbraw/zinc/56/86/69/361568669.db2.gz HPGSRALUJBNPQZ-NWDGAFQWSA-N 2 2 272.389 0.763 20 0 CCADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000599084980 361568675 /nfs/dbraw/zinc/56/86/75/361568675.db2.gz HPGSRALUJBNPQZ-NWDGAFQWSA-N 2 2 272.389 0.763 20 0 CCADLP CCOC(=O)C[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000599305156 361643460 /nfs/dbraw/zinc/64/34/60/361643460.db2.gz URGIMISTUCWWEH-LSDHHAIUSA-N 2 2 298.427 0.964 20 0 CCADLP CCOC(=O)C[C@@H](O)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000599305156 361643464 /nfs/dbraw/zinc/64/34/64/361643464.db2.gz URGIMISTUCWWEH-LSDHHAIUSA-N 2 2 298.427 0.964 20 0 CCADLP CCOC(=O)C[C@@H](O)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000599305156 361643466 /nfs/dbraw/zinc/64/34/66/361643466.db2.gz URGIMISTUCWWEH-LSDHHAIUSA-N 2 2 298.427 0.964 20 0 CCADLP CCOC(=O)C[C@@H](O)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000599305156 361643469 /nfs/dbraw/zinc/64/34/69/361643469.db2.gz URGIMISTUCWWEH-LSDHHAIUSA-N 2 2 298.427 0.964 20 0 CCADLP COCc1noc([C@H](C)[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000564656736 291291467 /nfs/dbraw/zinc/29/14/67/291291467.db2.gz DTKVUCZCHFZWMA-LPEHRKFASA-N 2 2 254.334 0.946 20 0 CCADLP COCc1noc([C@H](C)[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000564656736 291291470 /nfs/dbraw/zinc/29/14/70/291291470.db2.gz DTKVUCZCHFZWMA-LPEHRKFASA-N 2 2 254.334 0.946 20 0 CCADLP C[NH+](C)C1(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000612013859 363829275 /nfs/dbraw/zinc/82/92/75/363829275.db2.gz CSVFRNFOULMDQH-ZDUSSCGKSA-N 2 2 281.400 0.261 20 0 CCADLP CN(C)c1ccc(CNC(=O)N[C@@]2(C)CC[NH2+]C2)c[nH+]1 ZINC000612868076 364026400 /nfs/dbraw/zinc/02/64/00/364026400.db2.gz MDAQRCYSOYINNH-AWEZNQCLSA-N 2 2 277.372 0.699 20 0 CCADLP [NH3+][C@H]1CCCCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000631835432 370700543 /nfs/dbraw/zinc/70/05/43/370700543.db2.gz USSHABUIAPOLFN-QWHCGFSZSA-N 3 2 253.390 0.711 20 0 CCADLP [NH3+][C@H]1CCCCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000631835432 370700544 /nfs/dbraw/zinc/70/05/44/370700544.db2.gz USSHABUIAPOLFN-QWHCGFSZSA-N 3 2 253.390 0.711 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1CCCCC[C@@H]([NH3+])C1 ZINC000631834646 370700625 /nfs/dbraw/zinc/70/06/25/370700625.db2.gz CGRSYROIEWDAHM-ZIAGYGMSSA-N 2 2 255.406 0.910 20 0 CCADLP CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CCC([NH2+]CCO)CC1 ZINC000631863705 370723050 /nfs/dbraw/zinc/72/30/50/370723050.db2.gz BMYIEGASUJQJDR-CQSZACIVSA-N 2 2 299.459 0.926 20 0 CCADLP Cc1ncc(C[NH+]2CCC([NH2+]CCO)CC2)s1 ZINC000631862569 370723925 /nfs/dbraw/zinc/72/39/25/370723925.db2.gz KNBKZJBNGWMOKM-UHFFFAOYSA-N 2 2 255.387 0.998 20 0 CCADLP O=C(C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2)NC[C@H]1CCCO1 ZINC000631868027 370727434 /nfs/dbraw/zinc/72/74/34/370727434.db2.gz TYRWWUSBZWZVPT-BZPMIXESSA-N 2 2 267.373 0.013 20 0 CCADLP CC(C)NC(=O)NCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000564896280 291311800 /nfs/dbraw/zinc/31/18/00/291311800.db2.gz HQKRMHXPWKUBRP-AWEZNQCLSA-N 2 2 298.431 0.348 20 0 CCADLP CC(C)NC(=O)NCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000564896280 291311801 /nfs/dbraw/zinc/31/18/01/291311801.db2.gz HQKRMHXPWKUBRP-AWEZNQCLSA-N 2 2 298.431 0.348 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000614099236 364503064 /nfs/dbraw/zinc/50/30/64/364503064.db2.gz VWRQVYZBRRJAQW-YPMHNXCESA-N 2 2 280.347 0.905 20 0 CCADLP [NH3+][C@]12CCC[C@H]1C[N@H+](CCn1nc3ccccn3c1=O)C2 ZINC000621780627 366864531 /nfs/dbraw/zinc/86/45/31/366864531.db2.gz TTXVRSZQHWDLQG-WFASDCNBSA-N 2 2 287.367 0.309 20 0 CCADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCn1nc3ccccn3c1=O)C2 ZINC000621780627 366864537 /nfs/dbraw/zinc/86/45/37/366864537.db2.gz TTXVRSZQHWDLQG-WFASDCNBSA-N 2 2 287.367 0.309 20 0 CCADLP Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000564944102 291322444 /nfs/dbraw/zinc/32/24/44/291322444.db2.gz JBTANQKXLWDJRL-GWCFXTLKSA-N 2 2 293.415 0.242 20 0 CCADLP Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000564944102 291322446 /nfs/dbraw/zinc/32/24/46/291322446.db2.gz JBTANQKXLWDJRL-GWCFXTLKSA-N 2 2 293.415 0.242 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCCOc2ccccc2)[C@@H](C[NH3+])C1 ZINC000564944068 291322768 /nfs/dbraw/zinc/32/27/68/291322768.db2.gz HGPWLNIBBUVXSW-AWEZNQCLSA-N 2 2 291.395 0.947 20 0 CCADLP C[N@H+]1CCN(C(=O)CCCOc2ccccc2)[C@@H](C[NH3+])C1 ZINC000564944068 291322769 /nfs/dbraw/zinc/32/27/69/291322769.db2.gz HGPWLNIBBUVXSW-AWEZNQCLSA-N 2 2 291.395 0.947 20 0 CCADLP Cc1cccn2cc(CC(=O)N[C@H](CO)C[NH+](C)C)[nH+]c12 ZINC000614854342 364755874 /nfs/dbraw/zinc/75/58/74/364755874.db2.gz NGSSQUSSURUSOZ-ZDUSSCGKSA-N 2 2 290.367 0.224 20 0 CCADLP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cc1c[nH+]cn1C ZINC000615303523 364913063 /nfs/dbraw/zinc/91/30/63/364913063.db2.gz IPDNFOVVBAUGND-PWSUYJOCSA-N 2 2 250.346 0.514 20 0 CCADLP C[C@H](CCO)CC[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000564979144 291329788 /nfs/dbraw/zinc/32/97/88/291329788.db2.gz QWSQGVNPHRRFHZ-XQLPTFJDSA-N 2 2 288.432 0.455 20 0 CCADLP C[C@H](CCO)CC[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000564979144 291329792 /nfs/dbraw/zinc/32/97/92/291329792.db2.gz QWSQGVNPHRRFHZ-XQLPTFJDSA-N 2 2 288.432 0.455 20 0 CCADLP C(C[NH+]1CCCCC1)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000564986055 291331125 /nfs/dbraw/zinc/33/11/25/291331125.db2.gz CYUNROOXHHNHFS-MRXNPFEDSA-N 3 2 280.460 0.842 20 0 CCADLP C[C@@H](NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[C@@H](C)[NH+]1CCOCC1 ZINC000417529074 296071328 /nfs/dbraw/zinc/07/13/28/296071328.db2.gz WZQYSFBAIQGRQG-XJFOESAGSA-N 2 2 298.431 0.487 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000615315835 364918763 /nfs/dbraw/zinc/91/87/63/364918763.db2.gz UTSQTBFKYWJLNT-YNEHKIRRSA-N 2 2 269.389 0.258 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000615315835 364918764 /nfs/dbraw/zinc/91/87/64/364918764.db2.gz UTSQTBFKYWJLNT-YNEHKIRRSA-N 2 2 269.389 0.258 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000564988554 291332334 /nfs/dbraw/zinc/33/23/34/291332334.db2.gz VYPPBPFHVJTSDA-JYJNAYRXSA-N 3 2 277.412 0.459 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000564988554 291332335 /nfs/dbraw/zinc/33/23/35/291332335.db2.gz VYPPBPFHVJTSDA-JYJNAYRXSA-N 3 2 277.412 0.459 20 0 CCADLP CC[C@@H](C(=O)N1CC(C[NH+](C)C)C1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000615507070 364988743 /nfs/dbraw/zinc/98/87/43/364988743.db2.gz XLCNLWJECWWKTL-GJZGRUSLSA-N 2 2 297.443 0.896 20 0 CCADLP CC[C@@H](C(=O)N1CC(C[NH+](C)C)C1)[N@H+]1CCO[C@@H](CC)C1 ZINC000615507070 364988745 /nfs/dbraw/zinc/98/87/45/364988745.db2.gz XLCNLWJECWWKTL-GJZGRUSLSA-N 2 2 297.443 0.896 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCCOC(=O)NC(N)=O)C1 ZINC000496688738 240321561 /nfs/dbraw/zinc/32/15/61/240321561.db2.gz CGBQNLIGRQRGRX-SNVBAGLBSA-N 2 2 295.343 0.404 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCCOC(=O)NC(N)=O)C1 ZINC000496688738 240321571 /nfs/dbraw/zinc/32/15/71/240321571.db2.gz CGBQNLIGRQRGRX-SNVBAGLBSA-N 2 2 295.343 0.404 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000615535754 364995017 /nfs/dbraw/zinc/99/50/17/364995017.db2.gz PFELZIZLWFAUAA-CABCVRRESA-N 2 2 295.427 0.651 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000615535754 364995020 /nfs/dbraw/zinc/99/50/20/364995020.db2.gz PFELZIZLWFAUAA-CABCVRRESA-N 2 2 295.427 0.651 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1[C@H](C)O ZINC000565162602 291349876 /nfs/dbraw/zinc/34/98/76/291349876.db2.gz JHGJOEUYHTUMBD-MELADBBJSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1[C@H](C)O ZINC000565162602 291349878 /nfs/dbraw/zinc/34/98/78/291349878.db2.gz JHGJOEUYHTUMBD-MELADBBJSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H](C)O ZINC000565162602 291349879 /nfs/dbraw/zinc/34/98/79/291349879.db2.gz JHGJOEUYHTUMBD-MELADBBJSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H](C)O ZINC000565162602 291349880 /nfs/dbraw/zinc/34/98/80/291349880.db2.gz JHGJOEUYHTUMBD-MELADBBJSA-N 2 2 274.405 0.161 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000565163895 291349986 /nfs/dbraw/zinc/34/99/86/291349986.db2.gz MWENOWQLGLSSSI-GFCCVEGCSA-N 2 2 271.386 0.472 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000565163895 291349988 /nfs/dbraw/zinc/34/99/88/291349988.db2.gz MWENOWQLGLSSSI-GFCCVEGCSA-N 2 2 271.386 0.472 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)CCc1cnccn1 ZINC000565167364 291350773 /nfs/dbraw/zinc/35/07/73/291350773.db2.gz WPCJWOBWTOFPET-ZDUSSCGKSA-N 2 2 252.362 0.264 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCc1cnccn1 ZINC000565167364 291350777 /nfs/dbraw/zinc/35/07/77/291350777.db2.gz WPCJWOBWTOFPET-ZDUSSCGKSA-N 2 2 252.362 0.264 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)CCc1cnccn1 ZINC000565167364 291350780 /nfs/dbraw/zinc/35/07/80/291350780.db2.gz WPCJWOBWTOFPET-ZDUSSCGKSA-N 2 2 252.362 0.264 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCc1cnccn1 ZINC000565167364 291350784 /nfs/dbraw/zinc/35/07/84/291350784.db2.gz WPCJWOBWTOFPET-ZDUSSCGKSA-N 2 2 252.362 0.264 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000616921152 365469261 /nfs/dbraw/zinc/46/92/61/365469261.db2.gz HCVZXJSHAAYGRT-UHFFFAOYSA-N 2 2 276.344 0.440 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000616921152 365469270 /nfs/dbraw/zinc/46/92/70/365469270.db2.gz HCVZXJSHAAYGRT-UHFFFAOYSA-N 2 2 276.344 0.440 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)C[NH+]2CC(C)(C)C2)[C@H](C)C1 ZINC000565196633 291356934 /nfs/dbraw/zinc/35/69/34/291356934.db2.gz VRZLLYYEZLJNTE-CHWSQXEVSA-N 2 2 283.416 0.242 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)C[NH+]2CC(C)(C)C2)[C@H](C)C1 ZINC000565196633 291356936 /nfs/dbraw/zinc/35/69/36/291356936.db2.gz VRZLLYYEZLJNTE-CHWSQXEVSA-N 2 2 283.416 0.242 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC000565200431 291357901 /nfs/dbraw/zinc/35/79/01/291357901.db2.gz RFZXDTPMCRPOMO-LBPRGKRZSA-N 2 2 268.361 0.092 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000622083067 367015346 /nfs/dbraw/zinc/01/53/46/367015346.db2.gz XMCLKKSRRZLYBN-QWHCGFSZSA-N 2 2 293.415 0.716 20 0 CCADLP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335547300 212248222 /nfs/dbraw/zinc/24/82/22/212248222.db2.gz DCCSUIOZJJXNFY-JSGCOSHPSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+](CC(=O)NCCc1cn(C)c[nH+]1)C1CC1 ZINC000622685889 367295824 /nfs/dbraw/zinc/29/58/24/367295824.db2.gz OVHUDGMTMCXXEW-UHFFFAOYSA-N 2 2 250.346 0.563 20 0 CCADLP CC[N@@H+](CC(=O)NCCc1cn(C)c[nH+]1)C1CC1 ZINC000622685889 367295826 /nfs/dbraw/zinc/29/58/26/367295826.db2.gz OVHUDGMTMCXXEW-UHFFFAOYSA-N 2 2 250.346 0.563 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC(CC(F)(F)F)C1 ZINC000656151958 412753291 /nfs/dbraw/zinc/75/32/91/412753291.db2.gz VHEPDHKHVJTMCY-LLVKDONJSA-N 2 2 284.322 0.810 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC(CC(F)(F)F)C1 ZINC000656151958 412753296 /nfs/dbraw/zinc/75/32/96/412753296.db2.gz VHEPDHKHVJTMCY-LLVKDONJSA-N 2 2 284.322 0.810 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCC[NH2+]C1 ZINC000623175816 367463309 /nfs/dbraw/zinc/46/33/09/367463309.db2.gz OZPZVSBDSNOJGB-YNEHKIRRSA-N 2 2 276.384 0.950 20 0 CCADLP O=C([C@H]1CCn2cc[nH+]c2C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000623176655 367464585 /nfs/dbraw/zinc/46/45/85/367464585.db2.gz KGRVTJZYYNBODN-AAEUAGOBSA-N 2 2 274.368 0.798 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623178497 367465898 /nfs/dbraw/zinc/46/58/98/367465898.db2.gz TXZZEMXLHUVORH-NMKXLXIOSA-N 2 2 276.384 0.948 20 0 CCADLP CC[C@H](C(=O)N[C@@H]1CCn2c[nH+]cc2C1)[NH+](C)C ZINC000623307600 367528404 /nfs/dbraw/zinc/52/84/04/367528404.db2.gz KESZKUNLTMRSQC-ZYHUDNBSSA-N 2 2 250.346 0.654 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623381416 367550979 /nfs/dbraw/zinc/55/09/79/367550979.db2.gz SITLXUCDFYIENB-ZDUSSCGKSA-N 3 2 282.432 0.223 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623381416 367550983 /nfs/dbraw/zinc/55/09/83/367550983.db2.gz SITLXUCDFYIENB-ZDUSSCGKSA-N 3 2 282.432 0.223 20 0 CCADLP C[NH+]1CCN(C(=O)CN[C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623381416 367550989 /nfs/dbraw/zinc/55/09/89/367550989.db2.gz SITLXUCDFYIENB-ZDUSSCGKSA-N 2 2 282.432 0.223 20 0 CCADLP C[NH+]1CCN(C(=O)CN[C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623381416 367550994 /nfs/dbraw/zinc/55/09/94/367550994.db2.gz SITLXUCDFYIENB-ZDUSSCGKSA-N 2 2 282.432 0.223 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cccc3n[nH]cc32)CC1 ZINC000623381109 367551096 /nfs/dbraw/zinc/55/10/96/367551096.db2.gz BHDHSOJWXPAVRF-UHFFFAOYSA-N 2 2 287.367 0.427 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC[N@@H+](C)CC1)CC2 ZINC000623395372 367553848 /nfs/dbraw/zinc/55/38/48/367553848.db2.gz ISCQHCJXEVNSSQ-CYBMUJFWSA-N 2 2 276.384 0.918 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC[N@H+](C)CC1)CC2 ZINC000623395372 367553851 /nfs/dbraw/zinc/55/38/51/367553851.db2.gz ISCQHCJXEVNSSQ-CYBMUJFWSA-N 2 2 276.384 0.918 20 0 CCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000566251532 291385337 /nfs/dbraw/zinc/38/53/37/291385337.db2.gz QVCZJFVIQPJWEN-TXEJJXNPSA-N 2 2 290.367 0.902 20 0 CCADLP CC(C)[C@@H](C(=O)N[C@@H]1Cc2c[nH+]cn2C1)[NH+](C)C ZINC000623264954 367504156 /nfs/dbraw/zinc/50/41/56/367504156.db2.gz XRMABVLANBYHKZ-PWSUYJOCSA-N 2 2 250.346 0.510 20 0 CCADLP C[C@H](C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)[NH+]1CCN(C)CC1 ZINC000566254290 291385751 /nfs/dbraw/zinc/38/57/51/291385751.db2.gz YHKWGXAEXZBSRJ-ZBFHGGJFSA-N 2 2 294.443 0.224 20 0 CCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000566296477 291390870 /nfs/dbraw/zinc/39/08/70/291390870.db2.gz VPQDWVPEWFXWCV-JSGCOSHPSA-N 3 2 282.432 0.127 20 0 CCADLP C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+]1C)[C@H](C)[NH+]1CCOCC1 ZINC000623633822 367611887 /nfs/dbraw/zinc/61/18/87/367611887.db2.gz FVYNOYGQPQJTTK-HZSPNIEDSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H](NC(=O)NC[C@H]1CCC[N@H+]1C)[C@H](C)[NH+]1CCOCC1 ZINC000623633822 367611891 /nfs/dbraw/zinc/61/18/91/367611891.db2.gz FVYNOYGQPQJTTK-HZSPNIEDSA-N 2 2 298.431 0.489 20 0 CCADLP Cn1nnc2c1CC[C@@H]([NH2+]CC[NH2+]C(C)(C)C)C2 ZINC000656193705 412760952 /nfs/dbraw/zinc/76/09/52/412760952.db2.gz PQQGYPKDWVIYCQ-SNVBAGLBSA-N 2 2 251.378 0.650 20 0 CCADLP O[C@H]1CC[N@H+](CC[NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000623836782 367673582 /nfs/dbraw/zinc/67/35/82/367673582.db2.gz JJXJHQYHDMHGOI-NSHDSACASA-N 2 2 260.341 0.719 20 0 CCADLP O[C@H]1CC[N@@H+](CC[NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000623836782 367673586 /nfs/dbraw/zinc/67/35/86/367673586.db2.gz JJXJHQYHDMHGOI-NSHDSACASA-N 2 2 260.341 0.719 20 0 CCADLP CN(CC[C@@H]1CCCC[N@@H+]1C)c1nc(N)nc(N)[nH+]1 ZINC000624000571 367722204 /nfs/dbraw/zinc/72/22/04/367722204.db2.gz GGQPJNZTZCQZGB-VIFPVBQESA-N 2 2 265.365 0.007 20 0 CCADLP CN(CC[C@@H]1CCCC[N@H+]1C)c1nc(N)nc(N)[nH+]1 ZINC000624000571 367722213 /nfs/dbraw/zinc/72/22/13/367722213.db2.gz GGQPJNZTZCQZGB-VIFPVBQESA-N 2 2 265.365 0.007 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)[C@H]1CCCCO1 ZINC000624087095 367749310 /nfs/dbraw/zinc/74/93/10/367749310.db2.gz HMMNWKORGGPXKX-HZSPNIEDSA-N 2 2 283.416 0.873 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)[C@H]1CCCCO1 ZINC000624087095 367749314 /nfs/dbraw/zinc/74/93/14/367749314.db2.gz HMMNWKORGGPXKX-HZSPNIEDSA-N 2 2 283.416 0.873 20 0 CCADLP C[C@H](CC(=O)N1CCCCCC1)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624227498 367795053 /nfs/dbraw/zinc/79/50/53/367795053.db2.gz RVNPBALVOGLHOQ-HUUCEWRRSA-N 2 2 297.443 0.824 20 0 CCADLP C[C@H](CC(=O)N1CCCCCC1)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624227498 367795059 /nfs/dbraw/zinc/79/50/59/367795059.db2.gz RVNPBALVOGLHOQ-HUUCEWRRSA-N 2 2 297.443 0.824 20 0 CCADLP C[NH+]1CCC([NH2+][C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000624341856 367839456 /nfs/dbraw/zinc/83/94/56/367839456.db2.gz TTZAORWVXFKCBI-CYBMUJFWSA-N 2 2 251.374 0.824 20 0 CCADLP CO[C@H]1C[C@H]2C[C@H]([NH2+]CC[N@@H+]3CC[C@H](O)C3)C[C@H]2C1 ZINC000624339893 367840307 /nfs/dbraw/zinc/84/03/07/367840307.db2.gz VCEKXJSMBJPJPZ-VYDRJRHOSA-N 2 2 268.401 0.846 20 0 CCADLP CO[C@H]1C[C@H]2C[C@H]([NH2+]CC[N@H+]3CC[C@H](O)C3)C[C@H]2C1 ZINC000624339893 367840329 /nfs/dbraw/zinc/84/03/29/367840329.db2.gz VCEKXJSMBJPJPZ-VYDRJRHOSA-N 2 2 268.401 0.846 20 0 CCADLP Cn1c2cc(F)ccc2[nH+]c1NC[C@@H]1COCC[N@@H+]1C ZINC000624621460 367932976 /nfs/dbraw/zinc/93/29/76/367932976.db2.gz AHEBCVICANURFM-LLVKDONJSA-N 2 2 278.331 0.877 20 0 CCADLP Cn1c2cc(F)ccc2[nH+]c1NC[C@@H]1COCC[N@H+]1C ZINC000624621460 367932978 /nfs/dbraw/zinc/93/29/78/367932978.db2.gz AHEBCVICANURFM-LLVKDONJSA-N 2 2 278.331 0.877 20 0 CCADLP Cn1c2cc(F)ccc2[nH+]c1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000624677650 367950577 /nfs/dbraw/zinc/95/05/77/367950577.db2.gz CDLKTUPJSKROBM-LLVKDONJSA-N 2 2 278.331 0.613 20 0 CCADLP Cn1c2cc(F)ccc2[nH+]c1NCC[N@H+]1CC[C@@H](O)C1 ZINC000624677650 367950581 /nfs/dbraw/zinc/95/05/81/367950581.db2.gz CDLKTUPJSKROBM-LLVKDONJSA-N 2 2 278.331 0.613 20 0 CCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC[C@@H]1COCC[NH+]1C ZINC000624726823 367966547 /nfs/dbraw/zinc/96/65/47/367966547.db2.gz OLQIXLIGBCXRNO-QWHCGFSZSA-N 2 2 284.404 0.053 20 0 CCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NC[C@@H]1COCC[NH+]1C ZINC000624726823 367966558 /nfs/dbraw/zinc/96/65/58/367966558.db2.gz OLQIXLIGBCXRNO-QWHCGFSZSA-N 2 2 284.404 0.053 20 0 CCADLP CN(C[C@@H]1CCC[NH+]1C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000624726823 367966564 /nfs/dbraw/zinc/96/65/64/367966564.db2.gz OLQIXLIGBCXRNO-QWHCGFSZSA-N 2 2 284.404 0.053 20 0 CCADLP CN(C[C@@H]1CCC[NH+]1C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000624726823 367966571 /nfs/dbraw/zinc/96/65/71/367966571.db2.gz OLQIXLIGBCXRNO-QWHCGFSZSA-N 2 2 284.404 0.053 20 0 CCADLP O=C([C@H]1CCC[NH2+]C1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000167317806 296110592 /nfs/dbraw/zinc/11/05/92/296110592.db2.gz TWYDOCPUBWZOMH-LSDHHAIUSA-N 2 2 295.427 0.699 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cnns1 ZINC000625266536 368122372 /nfs/dbraw/zinc/12/23/72/368122372.db2.gz KXVSJCDMLPKPFW-UHFFFAOYSA-N 2 2 283.445 0.996 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cnns1 ZINC000625266536 368122375 /nfs/dbraw/zinc/12/23/75/368122375.db2.gz KXVSJCDMLPKPFW-UHFFFAOYSA-N 2 2 283.445 0.996 20 0 CCADLP Cc1nccnc1[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000275945809 193170559 /nfs/dbraw/zinc/17/05/59/193170559.db2.gz ZXBLDQCVSVWRNW-CHWSQXEVSA-N 2 2 264.373 0.892 20 0 CCADLP CCN(C)C(=O)CC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625548993 368240775 /nfs/dbraw/zinc/24/07/75/368240775.db2.gz IDWUZTQLLLNHAA-UHFFFAOYSA-N 2 2 283.416 0.651 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2nccnn2)CC1 ZINC000625640991 368281354 /nfs/dbraw/zinc/28/13/54/368281354.db2.gz XAHDFTMQHFJPDS-CQSZACIVSA-N 2 2 290.415 0.868 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2nccnn2)CC1 ZINC000625640991 368281357 /nfs/dbraw/zinc/28/13/57/368281357.db2.gz XAHDFTMQHFJPDS-CQSZACIVSA-N 2 2 290.415 0.868 20 0 CCADLP C[NH2+]Cc1ccc(NC(=O)NC[C@H]2COCC[N@@H+]2C)cc1 ZINC000625897570 368361745 /nfs/dbraw/zinc/36/17/45/368361745.db2.gz JSSFRDKSFKXZEM-AWEZNQCLSA-N 2 2 292.383 0.858 20 0 CCADLP C[NH2+]Cc1ccc(NC(=O)NC[C@H]2COCC[N@H+]2C)cc1 ZINC000625897570 368361747 /nfs/dbraw/zinc/36/17/47/368361747.db2.gz JSSFRDKSFKXZEM-AWEZNQCLSA-N 2 2 292.383 0.858 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NCC[NH+]1CCC1)CC2 ZINC000626241446 368497070 /nfs/dbraw/zinc/49/70/70/368497070.db2.gz PYUCRQNPGJMJDX-GFCCVEGCSA-N 2 2 262.357 0.576 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)[C@H]1C[C@H]1C ZINC000414109422 296123295 /nfs/dbraw/zinc/12/32/95/296123295.db2.gz HECFAMVKNUZOEG-NDBYEHHHSA-N 2 2 253.390 0.960 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)[C@H]1C[C@H]1C ZINC000414109422 296123297 /nfs/dbraw/zinc/12/32/97/296123297.db2.gz HECFAMVKNUZOEG-NDBYEHHHSA-N 2 2 253.390 0.960 20 0 CCADLP Cn1ncc2c1nc(NCCCCn1cc[nH+]c1)[nH+]c2N ZINC000566775647 291436707 /nfs/dbraw/zinc/43/67/07/291436707.db2.gz DQPZSFZAJWKOPU-UHFFFAOYSA-N 2 2 286.343 0.456 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)C[NH2+]1 ZINC000626920771 368678216 /nfs/dbraw/zinc/67/82/16/368678216.db2.gz KNWIHGYNRCOIHV-OLZOCXBDSA-N 2 2 298.431 0.537 20 0 CCADLP CN(CCOCC[NH3+])C(=O)NCc1cn2ccccc2[nH+]1 ZINC000626923773 368680156 /nfs/dbraw/zinc/68/01/56/368680156.db2.gz TUQAYIAXDZLLEL-UHFFFAOYSA-N 2 2 291.355 0.451 20 0 CCADLP C[NH+](C)C1(CS(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000632241337 370935125 /nfs/dbraw/zinc/93/51/25/370935125.db2.gz HFZFIRSWGVMPMP-NSHDSACASA-N 2 2 298.412 0.212 20 0 CCADLP C[NH+](C)CCCS(=O)(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000632240651 370935141 /nfs/dbraw/zinc/93/51/41/370935141.db2.gz XBLJOYBYRUISQM-NSHDSACASA-N 2 2 286.401 0.069 20 0 CCADLP CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000330617404 203044061 /nfs/dbraw/zinc/04/40/61/203044061.db2.gz XBEHZAUAWCHPBC-RYUDHWBXSA-N 2 2 286.401 0.333 20 0 CCADLP CCN(CC[NH3+])C(=O)NCc1c[nH+]ccc1OC ZINC000627043210 368752768 /nfs/dbraw/zinc/75/27/68/368752768.db2.gz OJTHCSARXFFNOL-UHFFFAOYSA-N 2 2 252.318 0.580 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)Cc1[nH+]ccn1C ZINC000627241380 368904033 /nfs/dbraw/zinc/90/40/33/368904033.db2.gz FUXMNWOSLYXSFF-VHSXEESVSA-N 2 2 251.334 0.312 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@H](C)C[NH+](C)C)CC2 ZINC000627243734 368908231 /nfs/dbraw/zinc/90/82/31/368908231.db2.gz SUAWQQBVSSWGDL-JQWIXIFHSA-N 2 2 264.373 0.820 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627182612 368852028 /nfs/dbraw/zinc/85/20/28/368852028.db2.gz BDRXQUBCGKYPCB-XQQFMLRXSA-N 2 2 284.404 0.228 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627182612 368852033 /nfs/dbraw/zinc/85/20/33/368852033.db2.gz BDRXQUBCGKYPCB-XQQFMLRXSA-N 2 2 284.404 0.228 20 0 CCADLP C[C@@H]1CC[C@H](CCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])O1 ZINC000576581173 335221757 /nfs/dbraw/zinc/22/17/57/335221757.db2.gz DQQCKOYNYWGZTD-FRRDWIJNSA-N 2 2 269.389 0.435 20 0 CCADLP C[C@@H]1CC[C@H](CCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])O1 ZINC000576581173 335221758 /nfs/dbraw/zinc/22/17/58/335221758.db2.gz DQQCKOYNYWGZTD-FRRDWIJNSA-N 2 2 269.389 0.435 20 0 CCADLP CCC(=O)N1CC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000574288127 335007342 /nfs/dbraw/zinc/00/73/42/335007342.db2.gz KUNIXKHSXIDUNB-UHFFFAOYSA-N 2 2 250.346 0.864 20 0 CCADLP CCC(=O)N1CC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000574288127 335007343 /nfs/dbraw/zinc/00/73/43/335007343.db2.gz KUNIXKHSXIDUNB-UHFFFAOYSA-N 2 2 250.346 0.864 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000628121257 369185333 /nfs/dbraw/zinc/18/53/33/369185333.db2.gz YFZVUFNEQLQVFQ-UHFFFAOYSA-N 2 2 292.383 0.515 20 0 CCADLP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000334656486 284125496 /nfs/dbraw/zinc/12/54/96/284125496.db2.gz YWVVWJOZIGABLZ-NKWVEPMBSA-N 2 2 269.242 0.097 20 0 CCADLP Cc1[nH]c(CN2CC[NH+](C(C)(C)CO)CC2)[nH+]c1C ZINC000628178554 369204518 /nfs/dbraw/zinc/20/45/18/369204518.db2.gz UGSGGQMOBVMHDV-UHFFFAOYSA-N 2 2 266.389 0.915 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cnc(C2CC2)o1 ZINC000628230187 369220188 /nfs/dbraw/zinc/22/01/88/369220188.db2.gz VZLMJFDQLCVDIZ-CYBMUJFWSA-N 2 2 253.346 0.954 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cnc(C3CC3)o2)C1 ZINC000628239544 369221407 /nfs/dbraw/zinc/22/14/07/369221407.db2.gz VNQCBQOIIFOMIP-CYBMUJFWSA-N 2 2 251.330 0.708 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cnc(C3CC3)o2)C1 ZINC000628239544 369221413 /nfs/dbraw/zinc/22/14/13/369221413.db2.gz VNQCBQOIIFOMIP-CYBMUJFWSA-N 2 2 251.330 0.708 20 0 CCADLP C[C@@H]1C[NH+](CCCCNC(=O)Cn2cc[nH+]c2)C[C@@H](C)O1 ZINC000567166407 291463620 /nfs/dbraw/zinc/46/36/20/291463620.db2.gz PVZYLNQNFMANJX-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP CN(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+]1C)c1c[nH+]cn1C ZINC000628648082 369358416 /nfs/dbraw/zinc/35/84/16/369358416.db2.gz XTANCQLCEZFBQN-YPMHNXCESA-N 2 2 279.388 0.233 20 0 CCADLP CN(C)[C@H](C(=O)NC[C@H]1CCC[N@H+]1C)c1c[nH+]cn1C ZINC000628648082 369358420 /nfs/dbraw/zinc/35/84/20/369358420.db2.gz XTANCQLCEZFBQN-YPMHNXCESA-N 2 2 279.388 0.233 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000628919657 369461737 /nfs/dbraw/zinc/46/17/37/369461737.db2.gz INUCRQQWRZYMBP-ZDUSSCGKSA-N 2 2 274.324 0.395 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000628919657 369461739 /nfs/dbraw/zinc/46/17/39/369461739.db2.gz INUCRQQWRZYMBP-ZDUSSCGKSA-N 2 2 274.324 0.395 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629561872 369710216 /nfs/dbraw/zinc/71/02/16/369710216.db2.gz KDELKNQXJCLINC-OPRDCNLKSA-N 2 2 281.322 0.922 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629561872 369710220 /nfs/dbraw/zinc/71/02/20/369710220.db2.gz KDELKNQXJCLINC-OPRDCNLKSA-N 2 2 281.322 0.922 20 0 CCADLP C[N@H+](CCOCC[NH3+])CCS(=O)(=O)c1ccccc1 ZINC000629574307 369717165 /nfs/dbraw/zinc/71/71/65/369717165.db2.gz GXNICERWUVPCSO-UHFFFAOYSA-N 2 2 286.397 0.367 20 0 CCADLP C[N@@H+](CCOCC[NH3+])CCS(=O)(=O)c1ccccc1 ZINC000629574307 369717167 /nfs/dbraw/zinc/71/71/67/369717167.db2.gz GXNICERWUVPCSO-UHFFFAOYSA-N 2 2 286.397 0.367 20 0 CCADLP C[NH2+]CCOCC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000629530718 369691915 /nfs/dbraw/zinc/69/19/15/369691915.db2.gz OSUFLZMTEAEECE-CYBMUJFWSA-N 2 2 275.356 0.720 20 0 CCADLP C(C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)OC1CCOCC1 ZINC000629534278 369695085 /nfs/dbraw/zinc/69/50/85/369695085.db2.gz UDPSTNMFGXSTTA-GXTWGEPZSA-N 2 2 254.374 0.866 20 0 CCADLP C(C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)OC1CCOCC1 ZINC000629534278 369695088 /nfs/dbraw/zinc/69/50/88/369695088.db2.gz UDPSTNMFGXSTTA-GXTWGEPZSA-N 2 2 254.374 0.866 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C[NH2+]1 ZINC000629541281 369697135 /nfs/dbraw/zinc/69/71/35/369697135.db2.gz SUPHTVURHYOODS-QKGCVVFFSA-N 3 2 267.417 0.874 20 0 CCADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000629547533 369700622 /nfs/dbraw/zinc/70/06/22/369700622.db2.gz ULGRQQWQQKADIF-HZSPNIEDSA-N 2 2 283.416 0.873 20 0 CCADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000629547533 369700626 /nfs/dbraw/zinc/70/06/26/369700626.db2.gz ULGRQQWQQKADIF-HZSPNIEDSA-N 2 2 283.416 0.873 20 0 CCADLP C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCO2)C1C[NH2+]C1 ZINC000629548425 369700894 /nfs/dbraw/zinc/70/08/94/369700894.db2.gz FLGKUEFKRYBENM-JTQLQIEISA-N 2 2 291.351 0.594 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000629547896 369701174 /nfs/dbraw/zinc/70/11/74/369701174.db2.gz LUDAMJFNGKIUHE-IRCOFANPSA-N 2 2 260.403 0.682 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CC2=CCCOC2)C1 ZINC000629647383 369748041 /nfs/dbraw/zinc/74/80/41/369748041.db2.gz SNIPNOINMMLMDX-CQSZACIVSA-N 2 2 279.384 0.229 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CC2=CCCOC2)C1 ZINC000629647383 369748045 /nfs/dbraw/zinc/74/80/45/369748045.db2.gz SNIPNOINMMLMDX-CQSZACIVSA-N 2 2 279.384 0.229 20 0 CCADLP C[NH2+]C1(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CCC1 ZINC000630002423 369886161 /nfs/dbraw/zinc/88/61/61/369886161.db2.gz XBUGAGPYIHQQLR-CQSZACIVSA-N 2 2 295.427 0.888 20 0 CCADLP C[NH2+]C1(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CCC1 ZINC000630002423 369886162 /nfs/dbraw/zinc/88/61/62/369886162.db2.gz XBUGAGPYIHQQLR-CQSZACIVSA-N 2 2 295.427 0.888 20 0 CCADLP C[N@H+](CC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)C1CCC1 ZINC000630005009 369888219 /nfs/dbraw/zinc/88/82/19/369888219.db2.gz AXOQBHIKCLRNGW-OKILXGFUSA-N 2 2 281.400 0.450 20 0 CCADLP C[N@@H+](CC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)C1CCC1 ZINC000630005009 369888226 /nfs/dbraw/zinc/88/82/26/369888226.db2.gz AXOQBHIKCLRNGW-OKILXGFUSA-N 2 2 281.400 0.450 20 0 CCADLP C[NH+](CC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C1CCC1 ZINC000630005009 369888233 /nfs/dbraw/zinc/88/82/33/369888233.db2.gz AXOQBHIKCLRNGW-OKILXGFUSA-N 2 2 281.400 0.450 20 0 CCADLP C[NH+](CC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C1CCC1 ZINC000630005009 369888239 /nfs/dbraw/zinc/88/82/39/369888239.db2.gz AXOQBHIKCLRNGW-OKILXGFUSA-N 2 2 281.400 0.450 20 0 CCADLP c1cc(NC[C@@H]2COCC[NH2+]2)nc(N2CCCCC2)[nH+]1 ZINC000630532417 370151205 /nfs/dbraw/zinc/15/12/05/370151205.db2.gz IUQYSLMZJKTVDI-GFCCVEGCSA-N 2 2 277.372 0.289 20 0 CCADLP C[NH2+]C(C)(C)c1cn(CC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000630611354 370209700 /nfs/dbraw/zinc/20/97/00/370209700.db2.gz DTTSMPMOTQZGRA-UHFFFAOYSA-N 3 2 282.436 0.616 20 0 CCADLP C[NH2+]C(C)(C)c1cn(CC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000630611354 370209704 /nfs/dbraw/zinc/20/97/04/370209704.db2.gz DTTSMPMOTQZGRA-UHFFFAOYSA-N 3 2 282.436 0.616 20 0 CCADLP [NH3+]CCOCc1cn(Cc2cn3ccccc3[nH+]2)nn1 ZINC000630601318 370201231 /nfs/dbraw/zinc/20/12/31/370201231.db2.gz WSWLYZZBCIUGKR-UHFFFAOYSA-N 2 2 272.312 0.449 20 0 CCADLP C[C@@H](O)C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631029782 370362851 /nfs/dbraw/zinc/36/28/51/370362851.db2.gz GXHMTEGDJYZQNV-CQSZACIVSA-N 2 2 294.395 0.868 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631062197 370373515 /nfs/dbraw/zinc/37/35/15/370373515.db2.gz QTVXYSCZCHLXIY-CYBMUJFWSA-N 2 2 265.357 0.988 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631062197 370373517 /nfs/dbraw/zinc/37/35/17/370373517.db2.gz QTVXYSCZCHLXIY-CYBMUJFWSA-N 2 2 265.357 0.988 20 0 CCADLP COCCc1ncc(C[NH2+]C[C@](C)(O)C[NH+](C)C)s1 ZINC000631100018 370384065 /nfs/dbraw/zinc/38/40/65/370384065.db2.gz OFIKMFBXFUWSHQ-ZDUSSCGKSA-N 2 2 287.429 0.734 20 0 CCADLP c1c(C[NH2+]CCC[NH+]2CCC2)nnn1C[C@@H]1CCOC1 ZINC000631105700 370385536 /nfs/dbraw/zinc/38/55/36/370385536.db2.gz WJVKKCZQDUHLQV-ZDUSSCGKSA-N 2 2 279.388 0.500 20 0 CCADLP Cc1nc(N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000631266961 370443564 /nfs/dbraw/zinc/44/35/64/370443564.db2.gz ZWABMUBXWUFKIR-AWEZNQCLSA-N 2 2 298.394 0.956 20 0 CCADLP Cc1nc(N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000631266961 370443566 /nfs/dbraw/zinc/44/35/66/370443566.db2.gz ZWABMUBXWUFKIR-AWEZNQCLSA-N 2 2 298.394 0.956 20 0 CCADLP Cc1nc(N2CCC([N@@H+]3CCCOCC3)CC2)nc(N)[nH+]1 ZINC000631298710 370463013 /nfs/dbraw/zinc/46/30/13/370463013.db2.gz GANSNECUDSYZKX-UHFFFAOYSA-N 2 2 292.387 0.284 20 0 CCADLP Cc1nc(N2CCC([N@H+]3CCCOCC3)CC2)nc(N)[nH+]1 ZINC000631298710 370463020 /nfs/dbraw/zinc/46/30/20/370463020.db2.gz GANSNECUDSYZKX-UHFFFAOYSA-N 2 2 292.387 0.284 20 0 CCADLP Cc1nc(N)nc(N2CCC([N@@H+]3CCCOCC3)CC2)[nH+]1 ZINC000631298710 370463024 /nfs/dbraw/zinc/46/30/24/370463024.db2.gz GANSNECUDSYZKX-UHFFFAOYSA-N 2 2 292.387 0.284 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NS(=O)(=O)CCC[NH+](C)C ZINC000632405762 371041658 /nfs/dbraw/zinc/04/16/58/371041658.db2.gz AAQWEXQOCYGPCY-LLVKDONJSA-N 2 2 288.417 0.835 20 0 CCADLP Cc1cccn2c(C[NH2+]C[C@@]3(O)CCOC3)c[nH+]c12 ZINC000331614600 204014552 /nfs/dbraw/zinc/01/45/52/204014552.db2.gz FOYPDZFQCVALSM-AWEZNQCLSA-N 2 2 261.325 0.884 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000567822543 291519945 /nfs/dbraw/zinc/51/99/45/291519945.db2.gz AZSWCLGRHOVHHB-NSHDSACASA-N 2 2 286.339 0.408 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[N@H+](C)CC1 ZINC000337354760 214024595 /nfs/dbraw/zinc/02/45/95/214024595.db2.gz AEFUKSUXEHJSAH-ZDUSSCGKSA-N 2 2 284.404 0.054 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[N@@H+](C)CC1 ZINC000337354760 214024597 /nfs/dbraw/zinc/02/45/97/214024597.db2.gz AEFUKSUXEHJSAH-ZDUSSCGKSA-N 2 2 284.404 0.054 20 0 CCADLP CN1CC[NH+](CCn2cc([C@@H]([NH3+])C(C)(C)C)nn2)CC1 ZINC000656437888 412793431 /nfs/dbraw/zinc/79/34/31/412793431.db2.gz NXQGRTQQFHXKPV-CYBMUJFWSA-N 2 2 280.420 0.571 20 0 CCADLP C[C@@H](C(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1)[NH+](C)C ZINC000634196221 371944911 /nfs/dbraw/zinc/94/49/11/371944911.db2.gz PWHJQZYMYRJODH-LBPRGKRZSA-N 2 2 291.399 0.722 20 0 CCADLP C[C@@H](C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)[NH+](C)C ZINC000634196221 371944913 /nfs/dbraw/zinc/94/49/13/371944913.db2.gz PWHJQZYMYRJODH-LBPRGKRZSA-N 3 2 291.399 0.722 20 0 CCADLP CC(C)C[C@H]([NH3+])c1noc([C@@H](C)N2CC[NH2+]CC2=O)n1 ZINC000634555444 372079556 /nfs/dbraw/zinc/07/95/56/372079556.db2.gz KNEAYFBADKJQNI-ZJUUUORDSA-N 2 2 281.360 0.608 20 0 CCADLP [NH3+]CC[N@@H+](Cc1cccc2ncccc12)C[C@@H](O)CO ZINC000634688253 372133388 /nfs/dbraw/zinc/13/33/88/372133388.db2.gz MXGCXPMNZJMPLP-CYBMUJFWSA-N 2 2 275.352 0.349 20 0 CCADLP [NH3+]CC[N@H+](Cc1cccc2ncccc12)C[C@@H](O)CO ZINC000634688253 372133392 /nfs/dbraw/zinc/13/33/92/372133392.db2.gz MXGCXPMNZJMPLP-CYBMUJFWSA-N 2 2 275.352 0.349 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000634704471 372151180 /nfs/dbraw/zinc/15/11/80/372151180.db2.gz LGAATHAQEUUTPZ-HZSPNIEDSA-N 2 2 256.390 0.582 20 0 CCADLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000634704471 372151183 /nfs/dbraw/zinc/15/11/83/372151183.db2.gz LGAATHAQEUUTPZ-HZSPNIEDSA-N 2 2 256.390 0.582 20 0 CCADLP O=C(N[C@]12CCC[C@@H]1C[NH2+]C2)[C@H]1CCn2cc[nH+]c2C1 ZINC000634769455 372217593 /nfs/dbraw/zinc/21/75/93/372217593.db2.gz BGOBXYGYHQEOIL-ZOWXZIJZSA-N 2 2 274.368 0.704 20 0 CCADLP C[N@@H+]1CCc2ncnc(N3CC[C@@H]4CC[NH2+][C@H]4C3)c2C1 ZINC000634808058 372247378 /nfs/dbraw/zinc/24/73/78/372247378.db2.gz IPIYNLLKMPYRLC-FZMZJTMJSA-N 2 2 273.384 0.653 20 0 CCADLP C[N@H+]1CCc2ncnc(N3CC[C@@H]4CC[NH2+][C@H]4C3)c2C1 ZINC000634808058 372247384 /nfs/dbraw/zinc/24/73/84/372247384.db2.gz IPIYNLLKMPYRLC-FZMZJTMJSA-N 2 2 273.384 0.653 20 0 CCADLP C[NH2+]C1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000634808431 372248992 /nfs/dbraw/zinc/24/89/92/372248992.db2.gz SHIHWTBSJHEQLZ-UHFFFAOYSA-N 2 2 277.372 0.501 20 0 CCADLP C[NH2+]C1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000634808431 372248999 /nfs/dbraw/zinc/24/89/99/372248999.db2.gz SHIHWTBSJHEQLZ-UHFFFAOYSA-N 2 2 277.372 0.501 20 0 CCADLP Cc1cc(N2CCC[C@H](n3cc(C[NH3+])nn3)C2)nc[nH+]1 ZINC000634810910 372255312 /nfs/dbraw/zinc/25/53/12/372255312.db2.gz MRZRQEVJBJNZMY-LBPRGKRZSA-N 2 2 273.344 0.677 20 0 CCADLP Cn1ncc2c1nc[nH+]c2N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000634813082 372256887 /nfs/dbraw/zinc/25/68/87/372256887.db2.gz YTSFLVHIDQNIPB-JQWIXIFHSA-N 2 2 272.356 0.942 20 0 CCADLP COCCO[C@@H]1CCC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634993756 372329465 /nfs/dbraw/zinc/32/94/65/372329465.db2.gz FLOLGPDSXHPRLS-ROKHWSDSSA-N 2 2 254.374 0.866 20 0 CCADLP COCCO[C@@H]1CCC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634993756 372329471 /nfs/dbraw/zinc/32/94/71/372329471.db2.gz FLOLGPDSXHPRLS-ROKHWSDSSA-N 2 2 254.374 0.866 20 0 CCADLP C[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)[C@@H]1CCC[NH2+]1 ZINC000635022993 372351466 /nfs/dbraw/zinc/35/14/66/372351466.db2.gz QRHNSIILDBZXTA-XBFCOCLRSA-N 2 2 281.400 0.496 20 0 CCADLP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)NCC[NH+](C)C)cc1 ZINC000635071242 372364765 /nfs/dbraw/zinc/36/47/65/372364765.db2.gz ZYORSEGJYBWGQG-HNNXBMFYSA-N 2 2 291.395 0.947 20 0 CCADLP COc1ccc(C[N@H+]2CC[C@H]2C(=O)NCC[NH+](C)C)cc1 ZINC000635071242 372364771 /nfs/dbraw/zinc/36/47/71/372364771.db2.gz ZYORSEGJYBWGQG-HNNXBMFYSA-N 2 2 291.395 0.947 20 0 CCADLP C[C@H](C(=O)NCCc1cn2c([nH+]1)CCCC2)[NH+](C)C ZINC000635239936 372423332 /nfs/dbraw/zinc/42/33/32/372423332.db2.gz BBISTBIJMMKUBF-LLVKDONJSA-N 2 2 264.373 0.828 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635312575 372456407 /nfs/dbraw/zinc/45/64/07/372456407.db2.gz DBEKPYZNEPIGJN-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635312575 372456411 /nfs/dbraw/zinc/45/64/11/372456411.db2.gz DBEKPYZNEPIGJN-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C[NH+](C)CC(C)(C)C)CCO1 ZINC000635464713 372534091 /nfs/dbraw/zinc/53/40/91/372534091.db2.gz IFXVSDWXHMZGFD-CYBMUJFWSA-N 2 2 285.432 0.801 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C[NH+](C)CC(C)(C)C)CCO1 ZINC000635464713 372534102 /nfs/dbraw/zinc/53/41/02/372534102.db2.gz IFXVSDWXHMZGFD-CYBMUJFWSA-N 2 2 285.432 0.801 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)C[N@H+](C)CC(C)(C)C)CCO1 ZINC000635464713 372534108 /nfs/dbraw/zinc/53/41/08/372534108.db2.gz IFXVSDWXHMZGFD-CYBMUJFWSA-N 2 2 285.432 0.801 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)C[N@@H+](C)CC(C)(C)C)CCO1 ZINC000635464713 372534114 /nfs/dbraw/zinc/53/41/14/372534114.db2.gz IFXVSDWXHMZGFD-CYBMUJFWSA-N 2 2 285.432 0.801 20 0 CCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC000635533584 372596597 /nfs/dbraw/zinc/59/65/97/372596597.db2.gz SUGLXZCYUIVLQX-ZDUSSCGKSA-N 2 2 282.432 0.080 20 0 CCADLP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)Cn1cc[nH+]c1 ZINC000635592456 372664853 /nfs/dbraw/zinc/66/48/53/372664853.db2.gz MNJLSRKUVGLVNK-QWHCGFSZSA-N 2 2 264.373 0.977 20 0 CCADLP C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)Cn1cc[nH+]c1 ZINC000635592456 372664860 /nfs/dbraw/zinc/66/48/60/372664860.db2.gz MNJLSRKUVGLVNK-QWHCGFSZSA-N 2 2 264.373 0.977 20 0 CCADLP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)Cn1cc[nH+]c1 ZINC000635592368 372665649 /nfs/dbraw/zinc/66/56/49/372665649.db2.gz KZXORFXFGTZWKX-GFCCVEGCSA-N 2 2 264.373 0.977 20 0 CCADLP CCc1c[nH]c(CC(=O)NCC[N@@H+]2CC[C@@H](C)C2)[nH+]1 ZINC000635634968 372708819 /nfs/dbraw/zinc/70/88/19/372708819.db2.gz ISGBALKCNZFQHR-LLVKDONJSA-N 2 2 264.373 0.973 20 0 CCADLP CCc1c[nH]c(CC(=O)NCC[N@H+]2CC[C@@H](C)C2)[nH+]1 ZINC000635634968 372708822 /nfs/dbraw/zinc/70/88/22/372708822.db2.gz ISGBALKCNZFQHR-LLVKDONJSA-N 2 2 264.373 0.973 20 0 CCADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000072858323 284347592 /nfs/dbraw/zinc/34/75/92/284347592.db2.gz OSRZETAIBRQTTJ-LBPRGKRZSA-N 2 2 298.431 0.884 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000072858323 284347594 /nfs/dbraw/zinc/34/75/94/284347594.db2.gz OSRZETAIBRQTTJ-LBPRGKRZSA-N 2 2 298.431 0.884 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000072858323 284347595 /nfs/dbraw/zinc/34/75/95/284347595.db2.gz OSRZETAIBRQTTJ-LBPRGKRZSA-N 2 2 298.431 0.884 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000072858323 284347597 /nfs/dbraw/zinc/34/75/97/284347597.db2.gz OSRZETAIBRQTTJ-LBPRGKRZSA-N 2 2 298.431 0.884 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)NCC[NH+]1CCC1 ZINC000635725752 372819904 /nfs/dbraw/zinc/81/99/04/372819904.db2.gz XTCNBFZLSLIWKQ-UHFFFAOYSA-N 2 2 250.346 0.828 20 0 CCADLP c1cc(N[C@H]2CCCOC2)nc(NCC[NH+]2CCCC2)[nH+]1 ZINC000333264963 205164740 /nfs/dbraw/zinc/16/47/40/205164740.db2.gz MSSFMAUVBUNWHO-ZDUSSCGKSA-N 2 2 291.399 0.997 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000333341273 205234460 /nfs/dbraw/zinc/23/44/60/205234460.db2.gz SWMVVHCNHGKOPX-LBPRGKRZSA-N 2 2 273.340 0.767 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000635788974 372911844 /nfs/dbraw/zinc/91/18/44/372911844.db2.gz HVKABWCWKPKIRS-LBPRGKRZSA-N 2 2 250.346 0.563 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000635788974 372911847 /nfs/dbraw/zinc/91/18/47/372911847.db2.gz HVKABWCWKPKIRS-LBPRGKRZSA-N 2 2 250.346 0.563 20 0 CCADLP CC(C)C[C@@H](C(=O)NC[C@]1(O)CC[N@H+](C)C1)n1cc[nH+]c1 ZINC000635802919 372930426 /nfs/dbraw/zinc/93/04/26/372930426.db2.gz XJCPETFDRVIKGX-DZGCQCFKSA-N 2 2 294.399 0.653 20 0 CCADLP CC(C)C[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](C)C1)n1cc[nH+]c1 ZINC000635802919 372930431 /nfs/dbraw/zinc/93/04/31/372930431.db2.gz XJCPETFDRVIKGX-DZGCQCFKSA-N 2 2 294.399 0.653 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+]2C2CCCC2)CC[N@@H+]1CCO ZINC000635823717 372961656 /nfs/dbraw/zinc/96/16/56/372961656.db2.gz SXZXJHXUEFBNKN-HIFRSBDPSA-N 2 2 295.427 0.528 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+]2C2CCCC2)CC[N@H+]1CCO ZINC000635823717 372961659 /nfs/dbraw/zinc/96/16/59/372961659.db2.gz SXZXJHXUEFBNKN-HIFRSBDPSA-N 2 2 295.427 0.528 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+]2C2CCCC2)CC[NH+]1CCO ZINC000635823717 372961665 /nfs/dbraw/zinc/96/16/65/372961665.db2.gz SXZXJHXUEFBNKN-HIFRSBDPSA-N 2 2 295.427 0.528 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+]2C2CCCC2)CC[NH+]1CCO ZINC000635823717 372961673 /nfs/dbraw/zinc/96/16/73/372961673.db2.gz SXZXJHXUEFBNKN-HIFRSBDPSA-N 2 2 295.427 0.528 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635870312 373026082 /nfs/dbraw/zinc/02/60/82/373026082.db2.gz VMOZJBJLAIOZHE-UONOGXRCSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635870312 373026088 /nfs/dbraw/zinc/02/60/88/373026088.db2.gz VMOZJBJLAIOZHE-UONOGXRCSA-N 2 2 283.416 0.507 20 0 CCADLP O=C(N[C@@H](CO)C[NH+]1CCCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635915725 373098751 /nfs/dbraw/zinc/09/87/51/373098751.db2.gz ZFCSRGIJVCATRK-JHJVBQTASA-N 2 2 292.383 0.476 20 0 CCADLP O=C(N[C@@H](CO)C[NH+]1CCCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635915725 373098760 /nfs/dbraw/zinc/09/87/60/373098760.db2.gz ZFCSRGIJVCATRK-JHJVBQTASA-N 2 2 292.383 0.476 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)[nH+]1 ZINC000635929588 373119025 /nfs/dbraw/zinc/11/90/25/373119025.db2.gz WTYHLCLGLOEYBU-STQMWFEESA-N 2 2 292.383 0.182 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)[nH+]1 ZINC000635929588 373119030 /nfs/dbraw/zinc/11/90/30/373119030.db2.gz WTYHLCLGLOEYBU-STQMWFEESA-N 2 2 292.383 0.182 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)[nH+]1 ZINC000635976831 373191465 /nfs/dbraw/zinc/19/14/65/373191465.db2.gz OGOQCPCUMKADNM-CYBMUJFWSA-N 2 2 294.399 0.478 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)[nH+]1 ZINC000635976831 373191470 /nfs/dbraw/zinc/19/14/70/373191470.db2.gz OGOQCPCUMKADNM-CYBMUJFWSA-N 2 2 294.399 0.478 20 0 CCADLP COCC[N@H+](C)Cc1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000656468775 412808874 /nfs/dbraw/zinc/80/88/74/412808874.db2.gz SFGPUEXJLIJJBM-GFCCVEGCSA-N 2 2 253.350 0.281 20 0 CCADLP COCC[N@@H+](C)Cc1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000656468775 412808878 /nfs/dbraw/zinc/80/88/78/412808878.db2.gz SFGPUEXJLIJJBM-GFCCVEGCSA-N 2 2 253.350 0.281 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636589704 373661427 /nfs/dbraw/zinc/66/14/27/373661427.db2.gz NYQZIELFQPMTKT-MNOVXSKESA-N 2 2 274.328 0.392 20 0 CCADLP CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636652422 373694145 /nfs/dbraw/zinc/69/41/45/373694145.db2.gz LCGINRIHEKENHV-RYUDHWBXSA-N 2 2 279.388 0.837 20 0 CCADLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636789708 373757996 /nfs/dbraw/zinc/75/79/96/373757996.db2.gz JIWYXMSSDKSRMV-QWRGUYRKSA-N 2 2 275.356 0.344 20 0 CCADLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636789708 373758002 /nfs/dbraw/zinc/75/80/02/373758002.db2.gz JIWYXMSSDKSRMV-QWRGUYRKSA-N 2 2 275.356 0.344 20 0 CCADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000568270977 291578260 /nfs/dbraw/zinc/57/82/60/291578260.db2.gz LLZYDMHMQDSHSV-GHMZBOCLSA-N 2 2 250.346 0.767 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000637029712 373886550 /nfs/dbraw/zinc/88/65/50/373886550.db2.gz VLJXEIZLYMWQAD-QLFBSQMISA-N 2 2 295.427 0.650 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000637029712 373886562 /nfs/dbraw/zinc/88/65/62/373886562.db2.gz VLJXEIZLYMWQAD-QLFBSQMISA-N 2 2 295.427 0.650 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000637029712 373886568 /nfs/dbraw/zinc/88/65/68/373886568.db2.gz VLJXEIZLYMWQAD-QLFBSQMISA-N 2 2 295.427 0.650 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000637283614 374073387 /nfs/dbraw/zinc/07/33/87/374073387.db2.gz WBRUHCUOENSPDJ-NWDGAFQWSA-N 2 2 277.372 0.591 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000637283614 374073393 /nfs/dbraw/zinc/07/33/93/374073393.db2.gz WBRUHCUOENSPDJ-NWDGAFQWSA-N 2 2 277.372 0.591 20 0 CCADLP CC(C)[N@@H+]1CCCN(C(=O)NC[C@H]2COCC[NH+]2C)CC1 ZINC000637448106 374175252 /nfs/dbraw/zinc/17/52/52/374175252.db2.gz UGTUCZOGFIZCRI-AWEZNQCLSA-N 2 2 298.431 0.443 20 0 CCADLP CC(C)[N@H+]1CCCN(C(=O)NC[C@H]2COCC[NH+]2C)CC1 ZINC000637448106 374175263 /nfs/dbraw/zinc/17/52/63/374175263.db2.gz UGTUCZOGFIZCRI-AWEZNQCLSA-N 2 2 298.431 0.443 20 0 CCADLP CC(C)[NH+]1CCCN(C(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000637448106 374175270 /nfs/dbraw/zinc/17/52/70/374175270.db2.gz UGTUCZOGFIZCRI-AWEZNQCLSA-N 2 2 298.431 0.443 20 0 CCADLP CC(C)[NH+]1CCCN(C(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000637448106 374175274 /nfs/dbraw/zinc/17/52/74/374175274.db2.gz UGTUCZOGFIZCRI-AWEZNQCLSA-N 2 2 298.431 0.443 20 0 CCADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N1CC[NH2+]CC1 ZINC000637802211 374329778 /nfs/dbraw/zinc/32/97/78/374329778.db2.gz WLUIMNPPDBZATQ-VIFPVBQESA-N 2 2 276.262 0.808 20 0 CCADLP CO[C@H](C[NH3+])C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000289487363 197371033 /nfs/dbraw/zinc/37/10/33/197371033.db2.gz CKKTYPGBVQIYIH-GFCCVEGCSA-N 2 2 274.324 0.999 20 0 CCADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N[C@H]1CC[NH2+]C1 ZINC000637810367 374342690 /nfs/dbraw/zinc/34/26/90/374342690.db2.gz DAZAVJKSMHLFAW-IUCAKERBSA-N 2 2 276.262 0.855 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000637830544 374373440 /nfs/dbraw/zinc/37/34/40/374373440.db2.gz YHRSWAUSTIMWOS-SECBINFHSA-N 2 2 250.346 0.846 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]([NH3+])CN(C)Cc2ccccc2)CC[NH2+]1 ZINC000637839193 374387701 /nfs/dbraw/zinc/38/77/01/374387701.db2.gz ANWZXUNVIHFAHR-ZFWWWQNUSA-N 2 2 290.411 0.266 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCC(C)(C)[NH3+])CC2 ZINC000637858309 374418075 /nfs/dbraw/zinc/41/80/75/374418075.db2.gz YTDXPZFJPVHLFS-JTQLQIEISA-N 2 2 250.346 0.607 20 0 CCADLP OCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000574511107 335024892 /nfs/dbraw/zinc/02/48/92/335024892.db2.gz YAZADBWAGBXALX-MXAVVETBSA-N 2 2 268.401 0.894 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000638078098 374636154 /nfs/dbraw/zinc/63/61/54/374636154.db2.gz ZIGQYCIBEJUHTJ-VIFPVBQESA-N 2 2 283.376 0.481 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000638070672 374620411 /nfs/dbraw/zinc/62/04/11/374620411.db2.gz ULSGZUAAQWWVBR-LLVKDONJSA-N 2 2 281.356 0.497 20 0 CCADLP CO[C@H]1C[NH2+][C@](C)(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000638090335 374650105 /nfs/dbraw/zinc/65/01/05/374650105.db2.gz IPEDVCQGVXWJCF-DOMZBBRYSA-N 2 2 292.383 0.883 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)C2=CC[C@@H]([NH3+])C2)CCO1 ZINC000638089974 374651547 /nfs/dbraw/zinc/65/15/47/374651547.db2.gz FINYGACSXPIYRX-GFCCVEGCSA-N 2 2 267.373 0.261 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)C2=CC[C@@H]([NH3+])C2)CCO1 ZINC000638089974 374651550 /nfs/dbraw/zinc/65/15/50/374651550.db2.gz FINYGACSXPIYRX-GFCCVEGCSA-N 2 2 267.373 0.261 20 0 CCADLP CC(C)(CO)[NH+]1CCN(CC(C)(C)[NH+]2CCOCC2)CC1 ZINC000638092529 374655368 /nfs/dbraw/zinc/65/53/68/374655368.db2.gz XZNPJZRFTZGQLN-UHFFFAOYSA-N 2 2 299.459 0.486 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000638101213 374666902 /nfs/dbraw/zinc/66/69/02/374666902.db2.gz OQIYSUUFJVTFCL-NEPJUHHUSA-N 2 2 295.383 0.886 20 0 CCADLP O=C(CN1CC[NH2+]CC1)Nc1ccc2[nH+]ccn2c1 ZINC000638116277 374682805 /nfs/dbraw/zinc/68/28/05/374682805.db2.gz LISVHKUVNPRWKV-UHFFFAOYSA-N 2 2 259.313 0.178 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000638137397 374707859 /nfs/dbraw/zinc/70/78/59/374707859.db2.gz UPBVUKBTRCITOG-CYBMUJFWSA-N 2 2 276.384 0.724 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)[nH+]1 ZINC000638201565 374783543 /nfs/dbraw/zinc/78/35/43/374783543.db2.gz 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412845030 /nfs/dbraw/zinc/84/50/30/412845030.db2.gz HOXLBQNGDIIKOT-GFCCVEGCSA-N 2 2 266.389 0.700 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000639654055 375889296 /nfs/dbraw/zinc/88/92/96/375889296.db2.gz FUQSXEAWPUTEIG-GFCCVEGCSA-N 2 2 285.413 0.719 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000639654055 375889304 /nfs/dbraw/zinc/88/93/04/375889304.db2.gz FUQSXEAWPUTEIG-GFCCVEGCSA-N 2 2 285.413 0.719 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000639651484 375889765 /nfs/dbraw/zinc/88/97/65/375889765.db2.gz YLNQYIMGQQOJHO-JTQLQIEISA-N 2 2 259.300 0.912 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000639651484 375889775 /nfs/dbraw/zinc/88/97/75/375889775.db2.gz YLNQYIMGQQOJHO-JTQLQIEISA-N 2 2 259.300 0.912 20 0 CCADLP CN(C)C(=O)N[C@H]1CCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000639668154 375899368 /nfs/dbraw/zinc/89/93/68/375899368.db2.gz MIIPMBRMLVMEJS-LBPRGKRZSA-N 2 2 279.388 0.698 20 0 CCADLP CN(C)C(=O)N[C@H]1CCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000639668154 375899376 /nfs/dbraw/zinc/89/93/76/375899376.db2.gz MIIPMBRMLVMEJS-LBPRGKRZSA-N 2 2 279.388 0.698 20 0 CCADLP CNC(=O)[C@@]1(C)CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000639623370 375867672 /nfs/dbraw/zinc/86/76/72/375867672.db2.gz KIRYNGWSWZXMJY-ZDUSSCGKSA-N 2 2 250.346 0.421 20 0 CCADLP CNC(=O)[C@@]1(C)CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000639623370 375867675 /nfs/dbraw/zinc/86/76/75/375867675.db2.gz KIRYNGWSWZXMJY-ZDUSSCGKSA-N 2 2 250.346 0.421 20 0 CCADLP CC[N@H+]1[C@H](C)CN(CC[NH+]2CCOCC2)C[C@@H]1C ZINC000639743805 375972950 /nfs/dbraw/zinc/97/29/50/375972950.db2.gz OTBXXDDFWMOZGB-OKILXGFUSA-N 2 2 255.406 0.733 20 0 CCADLP CC[N@@H+]1[C@H](C)CN(CC[NH+]2CCOCC2)C[C@@H]1C ZINC000639743805 375972956 /nfs/dbraw/zinc/97/29/56/375972956.db2.gz OTBXXDDFWMOZGB-OKILXGFUSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@H](c1nnnn1C)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639684137 375915288 /nfs/dbraw/zinc/91/52/88/375915288.db2.gz RRDVGAIWZLTJOE-GFCCVEGCSA-N 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Cn1c[nH+]cc1CCC[N@H+]1C[C@H](O)C[C@]1(C)CO ZINC000639848711 376062091 /nfs/dbraw/zinc/06/20/91/376062091.db2.gz IVSVLGUBINEJCZ-CHWSQXEVSA-N 2 2 253.346 0.170 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639944391 376143736 /nfs/dbraw/zinc/14/37/36/376143736.db2.gz KRZNYMPJVJECCB-OKILXGFUSA-N 2 2 276.340 0.176 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639944391 376143743 /nfs/dbraw/zinc/14/37/43/376143743.db2.gz KRZNYMPJVJECCB-OKILXGFUSA-N 2 2 276.340 0.176 20 0 CCADLP O=C(NCc1ccn2cc[nH+]c2c1)[C@H]1CSC[NH2+]1 ZINC000262612521 190059077 /nfs/dbraw/zinc/05/90/77/190059077.db2.gz AXINQXALMQCZQI-SNVBAGLBSA-N 2 2 262.338 0.613 20 0 CCADLP O=C([C@H]1CC[NH2+]1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000444179589 284564602 /nfs/dbraw/zinc/56/46/02/284564602.db2.gz ZOVKKQNVLFHEHZ-CHWSQXEVSA-N 2 2 267.373 0.062 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCCn2nccc21 ZINC000640219953 376286428 /nfs/dbraw/zinc/28/64/28/376286428.db2.gz IYWCQNKYKGHUEX-OLZOCXBDSA-N 2 2 282.388 0.247 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCCn2nccc21 ZINC000640219953 376286435 /nfs/dbraw/zinc/28/64/35/376286435.db2.gz IYWCQNKYKGHUEX-OLZOCXBDSA-N 2 2 282.388 0.247 20 0 CCADLP Cn1[nH]c(C[N@H+](C)CCCC[NH+]2CCCCC2)nc1=O ZINC000640533119 376414216 /nfs/dbraw/zinc/41/42/16/376414216.db2.gz NABGKQBCWGKQOX-UHFFFAOYSA-N 2 2 281.404 0.806 20 0 CCADLP Cn1[nH]c(C[N@@H+](C)CCCC[NH+]2CCCCC2)nc1=O ZINC000640533119 376414225 /nfs/dbraw/zinc/41/42/25/376414225.db2.gz NABGKQBCWGKQOX-UHFFFAOYSA-N 2 2 281.404 0.806 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000262860082 190064065 /nfs/dbraw/zinc/06/40/65/190064065.db2.gz TYWUBNDTZWKSNP-DGCLKSJQSA-N 2 2 285.351 0.995 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000264134926 190092359 /nfs/dbraw/zinc/09/23/59/190092359.db2.gz IISSTNQVBJCVGV-VXGBXAGGSA-N 2 2 277.372 0.846 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000264134926 190092360 /nfs/dbraw/zinc/09/23/60/190092360.db2.gz IISSTNQVBJCVGV-VXGBXAGGSA-N 2 2 277.372 0.846 20 0 CCADLP COC(=O)c1coc(C[N@H+](CCO)C2CC[NH+](C)CC2)c1 ZINC000264351440 190104681 /nfs/dbraw/zinc/10/46/81/190104681.db2.gz GYQLIUJJGCXYCW-UHFFFAOYSA-N 2 2 296.367 0.955 20 0 CCADLP COC(=O)c1coc(C[N@@H+](CCO)C2CC[NH+](C)CC2)c1 ZINC000264351440 190104682 /nfs/dbraw/zinc/10/46/82/190104682.db2.gz GYQLIUJJGCXYCW-UHFFFAOYSA-N 2 2 296.367 0.955 20 0 CCADLP Cc1[nH+]ccn1CCn1cc(C[N@@H+]2CCC[C@@H]2CO)nn1 ZINC000640985915 376648404 /nfs/dbraw/zinc/64/84/04/376648404.db2.gz OLBKFZWBKGYQIC-CQSZACIVSA-N 2 2 290.371 0.440 20 0 CCADLP Cc1[nH+]ccn1CCn1cc(C[N@H+]2CCC[C@@H]2CO)nn1 ZINC000640985915 376648409 /nfs/dbraw/zinc/64/84/09/376648409.db2.gz OLBKFZWBKGYQIC-CQSZACIVSA-N 2 2 290.371 0.440 20 0 CCADLP COC[C@@H]([NH3+])Cc1cn(Cc2ccc[nH+]c2C)nn1 ZINC000641051215 376717101 /nfs/dbraw/zinc/71/71/01/376717101.db2.gz IVOKZEUZUYZAHV-LBPRGKRZSA-N 2 2 261.329 0.546 20 0 CCADLP COCC[N@H+](C)Cc1cn(Cc2cc[nH+]c(N)c2)nn1 ZINC000641068164 376737304 /nfs/dbraw/zinc/73/73/04/376737304.db2.gz JNXWMRSLZBBCBY-UHFFFAOYSA-N 2 2 276.344 0.212 20 0 CCADLP COCC[N@@H+](C)Cc1cn(Cc2cc[nH+]c(N)c2)nn1 ZINC000641068164 376737309 /nfs/dbraw/zinc/73/73/09/376737309.db2.gz JNXWMRSLZBBCBY-UHFFFAOYSA-N 2 2 276.344 0.212 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)[NH+]1CC(C)C1 ZINC000574649105 335037249 /nfs/dbraw/zinc/03/72/49/335037249.db2.gz VBQIUTQAMAIVTK-UONOGXRCSA-N 2 2 297.443 0.630 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnn2c1CCC2 ZINC000656857420 412860771 /nfs/dbraw/zinc/86/07/71/412860771.db2.gz DBEKHTORJJJVKK-UHFFFAOYSA-N 2 2 293.415 0.443 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnn2c1CCC2 ZINC000656857420 412860773 /nfs/dbraw/zinc/86/07/73/412860773.db2.gz DBEKHTORJJJVKK-UHFFFAOYSA-N 2 2 293.415 0.443 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc[nH+]cc2F)CC1 ZINC000641443634 377123276 /nfs/dbraw/zinc/12/32/76/377123276.db2.gz KGOLRTGKZJABSO-CQSZACIVSA-N 2 2 292.358 0.964 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc[nH+]cc2F)CC1 ZINC000641443634 377123282 /nfs/dbraw/zinc/12/32/82/377123282.db2.gz KGOLRTGKZJABSO-CQSZACIVSA-N 2 2 292.358 0.964 20 0 CCADLP C[C@H]([NH3+])CNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000641472848 377154411 /nfs/dbraw/zinc/15/44/11/377154411.db2.gz IVOPZJSYWHYSAB-NSHDSACASA-N 2 2 266.345 0.454 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000264816925 190136937 /nfs/dbraw/zinc/13/69/37/190136937.db2.gz ZFYXFKWTNHELOL-CYBMUJFWSA-N 2 2 287.367 0.310 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000264816925 190136938 /nfs/dbraw/zinc/13/69/38/190136938.db2.gz ZFYXFKWTNHELOL-CYBMUJFWSA-N 2 2 287.367 0.310 20 0 CCADLP CCc1nc(N2CC3(C2)CC(=O)NCC[NH2+]3)cc(C)[nH+]1 ZINC000641682374 377386610 /nfs/dbraw/zinc/38/66/10/377386610.db2.gz YPUJMFYICGPGNX-UHFFFAOYSA-N 2 2 275.356 0.016 20 0 CCADLP COCc1cc(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)no1 ZINC000641718003 377417773 /nfs/dbraw/zinc/41/77/73/377417773.db2.gz UJCSYKIVIXVMQD-GFCCVEGCSA-N 2 2 282.388 0.547 20 0 CCADLP CCC[C@H](C(=O)OCC)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313335130 248998312 /nfs/dbraw/zinc/99/83/12/248998312.db2.gz HGSFTESKRVUUSM-VXGBXAGGSA-N 2 2 258.362 0.768 20 0 CCADLP CCC[C@H](C(=O)OCC)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313335130 248998314 /nfs/dbraw/zinc/99/83/14/248998314.db2.gz HGSFTESKRVUUSM-VXGBXAGGSA-N 2 2 258.362 0.768 20 0 CCADLP CO[C@H](C)[C@@H](C)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641789014 377463337 /nfs/dbraw/zinc/46/33/37/377463337.db2.gz WZJNGNJJASDLPM-OAGGEKHMSA-N 2 2 299.459 0.796 20 0 CCADLP c1nc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)co1 ZINC000641786873 377463393 /nfs/dbraw/zinc/46/33/93/377463393.db2.gz ILSPGECTRLTASN-CQSZACIVSA-N 2 2 294.399 0.561 20 0 CCADLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1nnnn1CC1CCOCC1 ZINC000641801940 377471382 /nfs/dbraw/zinc/47/13/82/377471382.db2.gz WHBGHFBNUNWMJP-RYUDHWBXSA-N 2 2 294.403 0.315 20 0 CCADLP CCc1cc(=O)[nH]c(C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)n1 ZINC000641802394 377472644 /nfs/dbraw/zinc/47/26/44/377472644.db2.gz KKHPSBLCFSDKQA-VHSXEESVSA-N 2 2 250.346 0.960 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCCS(=O)(=O)N(C)C)[C@H]1C ZINC000641804886 377476443 /nfs/dbraw/zinc/47/64/43/377476443.db2.gz CXJGRUWZPATYRF-AGIUHOORSA-N 2 2 291.461 0.716 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCCS(=O)(=O)N(C)C)[C@H]1C ZINC000641804886 377476450 /nfs/dbraw/zinc/47/64/50/377476450.db2.gz CXJGRUWZPATYRF-AGIUHOORSA-N 2 2 291.461 0.716 20 0 CCADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@H](CO)[C@H](O)C1 ZINC000459675097 249050783 /nfs/dbraw/zinc/05/07/83/249050783.db2.gz JMDXCIYAPQOEFB-GDBMZVCRSA-N 2 2 287.363 0.966 20 0 CCADLP C[NH+](C)CC(C)(C)[NH2+]CCCN1C(=O)NC(C)(C)C1=O ZINC000459544408 249042245 /nfs/dbraw/zinc/04/22/45/249042245.db2.gz ZAZXWVXDDOCWKF-UHFFFAOYSA-N 2 2 284.404 0.637 20 0 CCADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@H](CO)[C@H](O)C1 ZINC000459675097 249050786 /nfs/dbraw/zinc/05/07/86/249050786.db2.gz JMDXCIYAPQOEFB-GDBMZVCRSA-N 2 2 287.363 0.966 20 0 CCADLP CC1CC[NH+](CCNC[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000515055605 249118025 /nfs/dbraw/zinc/11/80/25/249118025.db2.gz XYYOGIOESUULAJ-OAHLLOKOSA-N 2 2 285.432 0.001 20 0 CCADLP C[C@H]([C@H](C)NC(=O)C[NH+]1CC(C)(C)C1)[NH+]1CCOCC1 ZINC000515068857 249119981 /nfs/dbraw/zinc/11/99/81/249119981.db2.gz CWYARSYSPLFBDA-QWHCGFSZSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H](CC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C)n1cc[nH+]c1 ZINC000516076362 249150169 /nfs/dbraw/zinc/15/01/69/249150169.db2.gz PNOFXFINJBLMLW-BFHYXJOUSA-N 2 2 294.399 0.748 20 0 CCADLP C[C@@H](CC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C)n1cc[nH+]c1 ZINC000516076362 249150170 /nfs/dbraw/zinc/15/01/70/249150170.db2.gz PNOFXFINJBLMLW-BFHYXJOUSA-N 2 2 294.399 0.748 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000516334220 249162310 /nfs/dbraw/zinc/16/23/10/249162310.db2.gz BPCBJJJYUYXHJI-UONOGXRCSA-N 2 2 282.432 0.175 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000516334220 249162312 /nfs/dbraw/zinc/16/23/12/249162312.db2.gz BPCBJJJYUYXHJI-UONOGXRCSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H](C)[NH+]2CC(C)C2)[C@H](C)C1 ZINC000515356533 249130486 /nfs/dbraw/zinc/13/04/86/249130486.db2.gz XTPCWBCBEXTXDM-RDBSUJKOSA-N 2 2 283.416 0.240 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H](C)[NH+]2CC(C)C2)[C@H](C)C1 ZINC000515356533 249130487 /nfs/dbraw/zinc/13/04/87/249130487.db2.gz XTPCWBCBEXTXDM-RDBSUJKOSA-N 2 2 283.416 0.240 20 0 CCADLP CN1CC[C@H](C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1=O ZINC000515637238 249140817 /nfs/dbraw/zinc/14/08/17/249140817.db2.gz IMWPTJAUZNZHFB-NJZAAPMLSA-N 2 2 281.400 0.211 20 0 CCADLP CC[NH+](CC)CCN(CCOC)C(=O)Cn1cc[nH+]c1 ZINC000515725051 249142957 /nfs/dbraw/zinc/14/29/57/249142957.db2.gz XRJCBGPMUWYRMY-UHFFFAOYSA-N 2 2 282.388 0.700 20 0 CCADLP O=C1NCCC[C@H]1[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000515796138 249144507 /nfs/dbraw/zinc/14/45/07/249144507.db2.gz XXBLSUSSSKQOJZ-CHWSQXEVSA-N 2 2 261.325 0.813 20 0 CCADLP O=C1NCCC[C@H]1[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000515796138 249144510 /nfs/dbraw/zinc/14/45/10/249144510.db2.gz XXBLSUSSSKQOJZ-CHWSQXEVSA-N 2 2 261.325 0.813 20 0 CCADLP C[C@H](NC(=O)NCC[C@H]1CC[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000516554174 249168685 /nfs/dbraw/zinc/16/86/85/249168685.db2.gz ADHSYSSAPGNPMN-MELADBBJSA-N 2 2 298.431 0.394 20 0 CCADLP COC(=O)CC[C@H]([NH3+])C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000516568649 249170457 /nfs/dbraw/zinc/17/04/57/249170457.db2.gz QSBKCEXFUDQMLT-LBPRGKRZSA-N 2 2 279.340 0.595 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3scnc3C3CC3)CCN2C1=O ZINC000517176049 249207465 /nfs/dbraw/zinc/20/74/65/249207465.db2.gz LEEFJBPJFVDMAM-QWRGUYRKSA-N 2 2 292.408 0.764 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3scnc3C3CC3)CCN2C1=O ZINC000517176049 249207469 /nfs/dbraw/zinc/20/74/69/249207469.db2.gz LEEFJBPJFVDMAM-QWRGUYRKSA-N 2 2 292.408 0.764 20 0 CCADLP C[C@@H](CC(=O)NC[C@@]1(O)CC[N@H+](C)C1)n1cc[nH+]c1 ZINC000516574952 249171322 /nfs/dbraw/zinc/17/13/22/249171322.db2.gz WPVMYQRINRZMPX-AAEUAGOBSA-N 2 2 266.345 0.017 20 0 CCADLP C[C@@H](CC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)n1cc[nH+]c1 ZINC000516574952 249171324 /nfs/dbraw/zinc/17/13/24/249171324.db2.gz WPVMYQRINRZMPX-AAEUAGOBSA-N 2 2 266.345 0.017 20 0 CCADLP COC[C@@]1(C(=O)NCc2cn3ccccc3[nH+]2)CC[NH2+]C1 ZINC000516647025 249174540 /nfs/dbraw/zinc/17/45/40/249174540.db2.gz CRRIPXIMSPCQOL-OAHLLOKOSA-N 2 2 288.351 0.577 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)C(C)(C)C1)N1CC[NH+](C)CC1 ZINC000516790902 249180965 /nfs/dbraw/zinc/18/09/65/249180965.db2.gz VFCRHIVVONVWGR-CYBMUJFWSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)C(C)(C)C1)N1CC[NH+](C)CC1 ZINC000516790902 249180967 /nfs/dbraw/zinc/18/09/67/249180967.db2.gz VFCRHIVVONVWGR-CYBMUJFWSA-N 2 2 282.432 0.175 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000265392946 190179074 /nfs/dbraw/zinc/17/90/74/190179074.db2.gz PHQIUDMHBKTGPK-UHFFFAOYSA-N 2 2 292.339 0.239 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000265392946 190179075 /nfs/dbraw/zinc/17/90/75/190179075.db2.gz PHQIUDMHBKTGPK-UHFFFAOYSA-N 2 2 292.339 0.239 20 0 CCADLP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCn2c[nH+]cc2C1 ZINC000642519284 377578100 /nfs/dbraw/zinc/57/81/00/377578100.db2.gz DHNBMBZXIBIKAC-ZDUSSCGKSA-N 2 2 289.383 0.893 20 0 CCADLP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCn2c[nH+]cc2C1 ZINC000642519284 377578106 /nfs/dbraw/zinc/57/81/06/377578106.db2.gz DHNBMBZXIBIKAC-ZDUSSCGKSA-N 2 2 289.383 0.893 20 0 CCADLP C[C@@H]1CN(c2cc(-n3cccn3)nc(N)[nH+]2)[C@H](C)C[NH2+]1 ZINC000643023148 377692198 /nfs/dbraw/zinc/69/21/98/377692198.db2.gz XHBZUWJRJBMFPV-NXEZZACHSA-N 2 2 273.344 0.261 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)[C@H]([NH3+])c1cscn1 ZINC000574683864 335039388 /nfs/dbraw/zinc/03/93/88/335039388.db2.gz CNQUCIRVSODHLV-PSASIEDQSA-N 2 2 256.375 0.633 20 0 CCADLP Cn1ncc2c1nc(NC1CC[NH+](C)CC1)[nH+]c2N ZINC000278508793 194017820 /nfs/dbraw/zinc/01/78/20/194017820.db2.gz XZCSSWHTPNHRPN-UHFFFAOYSA-N 2 2 261.333 0.452 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)n1C ZINC000278533911 194029919 /nfs/dbraw/zinc/02/99/19/194029919.db2.gz BIORLNYULOLQPM-ZDUSSCGKSA-N 2 2 291.399 0.729 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000266335648 190249659 /nfs/dbraw/zinc/24/96/59/190249659.db2.gz WXIDTSDKBKRCRB-KGLIPLIRSA-N 2 2 289.383 0.927 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCn1cc[nH+]c1 ZINC000278900315 194202278 /nfs/dbraw/zinc/20/22/78/194202278.db2.gz YJGBNYZTVBEALL-CYBMUJFWSA-N 2 2 295.387 0.245 20 0 CCADLP COC(=O)CCNC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266705633 190276257 /nfs/dbraw/zinc/27/62/57/190276257.db2.gz DPLUXGFMXKHFBL-UHFFFAOYSA-N 2 2 294.355 0.268 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+]([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000266933230 190291871 /nfs/dbraw/zinc/29/18/71/190291871.db2.gz PFLITTCLXRJKCE-CQSZACIVSA-N 2 2 299.378 0.769 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNc2ncnc3nc[nH]c32)CC1 ZINC000267163209 190307714 /nfs/dbraw/zinc/30/77/14/190307714.db2.gz GDOZIXULICXDEL-UHFFFAOYSA-N 2 2 289.387 0.791 20 0 CCADLP C[C@H]1CN(C(=O)NCc2cn3ccccc3[nH+]2)CC[NH2+]1 ZINC000334910041 207277393 /nfs/dbraw/zinc/27/73/93/207277393.db2.gz UCYBWZVPOAHPCP-NSHDSACASA-N 2 2 273.340 0.838 20 0 CCADLP C[NH2+][C@@H]1CCN(C(=O)[C@@H]([NH3+])c2c(F)cccc2F)C1 ZINC000334950949 207343409 /nfs/dbraw/zinc/34/34/09/207343409.db2.gz ORMKBIDLJDDUPV-PELKAZGASA-N 2 2 269.295 0.785 20 0 CCADLP C[C@H]1CN(C(=O)[C@H]([NH3+])c2c(F)cccc2F)CC[NH2+]1 ZINC000334956691 207356227 /nfs/dbraw/zinc/35/62/27/207356227.db2.gz ZUVFBURTBWRWFD-QPUJVOFHSA-N 2 2 269.295 0.785 20 0 CCADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)NC1C[NH2+]C1 ZINC000571183266 291797577 /nfs/dbraw/zinc/79/75/77/291797577.db2.gz NYDGCSPIUAMFDG-UHFFFAOYSA-N 2 2 285.351 0.702 20 0 CCADLP C[C@@H]1COCCN1CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657347316 412965894 /nfs/dbraw/zinc/96/58/94/412965894.db2.gz XELQKTVJWVPSPA-GFCCVEGCSA-N 2 2 264.373 0.640 20 0 CCADLP C[C@@H]([NH3+])CC(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000423933911 532952577 /nfs/dbraw/zinc/95/25/77/532952577.db2.gz XMHURZLGNNUMQS-NEPJUHHUSA-N 2 2 292.383 0.865 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)[C@@H](C)[NH2+]C2CC2)C[C@H]1C ZINC000449126493 532955816 /nfs/dbraw/zinc/95/58/16/532955816.db2.gz MBOOKSURWCFRLH-VXGBXAGGSA-N 2 2 269.389 0.306 20 0 CCADLP COCC[N@H+]1CCN(C(=O)[C@@H](C)[NH2+]C2CC2)C[C@H]1C ZINC000449126493 532955817 /nfs/dbraw/zinc/95/58/17/532955817.db2.gz MBOOKSURWCFRLH-VXGBXAGGSA-N 2 2 269.389 0.306 20 0 CCADLP O=C(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)N1CCCCC1 ZINC000571612641 291825570 /nfs/dbraw/zinc/82/55/70/291825570.db2.gz FDCIUIIGVMSXBL-UHFFFAOYSA-N 2 2 277.372 0.544 20 0 CCADLP COCCN1CC[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)C1 ZINC000449389080 532981887 /nfs/dbraw/zinc/98/18/87/532981887.db2.gz BWNVUCZKVQKXNW-CABCVRRESA-N 2 2 285.432 0.144 20 0 CCADLP COCCN1CC[C@@H]([NH2+]C[C@@H]2CCCC[N@H+]2CCO)C1 ZINC000449389080 532981890 /nfs/dbraw/zinc/98/18/90/532981890.db2.gz BWNVUCZKVQKXNW-CABCVRRESA-N 2 2 285.432 0.144 20 0 CCADLP COCC[NH2+]CCNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000417885446 533021512 /nfs/dbraw/zinc/02/15/12/533021512.db2.gz JDCXIEFLDWWMDO-UHFFFAOYSA-N 2 2 291.355 0.370 20 0 CCADLP COCC[C@](C)(O)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657364870 412973883 /nfs/dbraw/zinc/97/38/83/412973883.db2.gz BAZAMJFTLWHZCJ-ZDUSSCGKSA-N 2 2 253.346 0.706 20 0 CCADLP [NH3+][C@@H](C(=O)N[C@@H]1CC[NH2+]C1)c1c(F)cccc1F ZINC000335402048 208376591 /nfs/dbraw/zinc/37/65/91/208376591.db2.gz YGAMGOMNWQMSEY-RDDDGLTNSA-N 2 2 255.268 0.443 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccnn1CC1CC1 ZINC000657416160 412985766 /nfs/dbraw/zinc/98/57/66/412985766.db2.gz QIUBZEXVOFTVFD-CQSZACIVSA-N 2 2 266.389 0.695 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(CC[NH+]2CCOC[C@@H]2C)[C@@H](C)C1 ZINC000249273991 285107090 /nfs/dbraw/zinc/10/70/90/285107090.db2.gz KJJYVOAVOWFXND-KKUMJFAQSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(CC[NH+]2CCOC[C@@H]2C)[C@@H](C)C1 ZINC000249273991 285107092 /nfs/dbraw/zinc/10/70/92/285107092.db2.gz KJJYVOAVOWFXND-KKUMJFAQSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@H](O)C[NH+]1CCN(CC[N@@H+]2CCOC[C@@H]2C)[C@@H](C)C1 ZINC000249273991 285107095 /nfs/dbraw/zinc/10/70/95/285107095.db2.gz KJJYVOAVOWFXND-KKUMJFAQSA-N 2 2 285.432 0.094 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+](CCCO)Cc1ccccn1)C1CC1 ZINC000289427896 197343251 /nfs/dbraw/zinc/34/32/51/197343251.db2.gz RKWYXMULWHNOHQ-MRXNPFEDSA-N 2 2 293.411 0.721 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+](CCCO)Cc1ccccn1)C1CC1 ZINC000289427896 197343253 /nfs/dbraw/zinc/34/32/53/197343253.db2.gz RKWYXMULWHNOHQ-MRXNPFEDSA-N 2 2 293.411 0.721 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+](CCCO)Cc1ccccn1)C1CC1 ZINC000289427896 197343255 /nfs/dbraw/zinc/34/32/55/197343255.db2.gz RKWYXMULWHNOHQ-MRXNPFEDSA-N 2 2 293.411 0.721 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+](CCCO)Cc1ccccn1)C1CC1 ZINC000289427896 197343256 /nfs/dbraw/zinc/34/32/56/197343256.db2.gz RKWYXMULWHNOHQ-MRXNPFEDSA-N 2 2 293.411 0.721 20 0 CCADLP Cc1cn[nH]c1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000289429436 197343319 /nfs/dbraw/zinc/34/33/19/197343319.db2.gz DOTVCQVLFHYJLJ-LBPRGKRZSA-N 2 2 265.361 0.148 20 0 CCADLP Cc1cn[nH]c1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000289429436 197343320 /nfs/dbraw/zinc/34/33/20/197343320.db2.gz DOTVCQVLFHYJLJ-LBPRGKRZSA-N 2 2 265.361 0.148 20 0 CCADLP O=c1nc([C@H]2CCC[N@H+](CCn3cc[nH+]c3)C2)[nH][nH]1 ZINC000289356296 197310668 /nfs/dbraw/zinc/31/06/68/197310668.db2.gz GTAIBPMAOBTCOQ-JTQLQIEISA-N 2 2 262.317 0.174 20 0 CCADLP O=c1nc([C@H]2CCC[N@@H+](CCn3cc[nH+]c3)C2)[nH][nH]1 ZINC000289356296 197310669 /nfs/dbraw/zinc/31/06/69/197310669.db2.gz GTAIBPMAOBTCOQ-JTQLQIEISA-N 2 2 262.317 0.174 20 0 CCADLP [NH3+][C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)nn1)C1CC1 ZINC000572242102 291865931 /nfs/dbraw/zinc/86/59/31/291865931.db2.gz ZZEOMNJNMBKRSG-JTQLQIEISA-N 2 2 272.312 0.129 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)NC[C@H]([NH3+])C(C)C ZINC000418218622 533080150 /nfs/dbraw/zinc/08/01/50/533080150.db2.gz RAZJILXCENTQPP-NSHDSACASA-N 2 2 266.345 0.873 20 0 CCADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)NC(=O)Nc1ccccc1 ZINC000359282571 285200707 /nfs/dbraw/zinc/20/07/07/285200707.db2.gz SODLLFRYYACPEW-VXGBXAGGSA-N 2 2 288.351 0.486 20 0 CCADLP CCS(=O)(=O)CCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657497104 413010454 /nfs/dbraw/zinc/01/04/54/413010454.db2.gz WBHDNLPMZFGBDL-UHFFFAOYSA-N 2 2 271.386 0.744 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)N[C@@H](C)C[NH+](C)C ZINC000288099230 197003849 /nfs/dbraw/zinc/00/38/49/197003849.db2.gz ILKJNZAMXGGDQA-VIFPVBQESA-N 2 2 280.328 0.095 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCc3c(nnn3C)C2)n1C ZINC000657504785 413014335 /nfs/dbraw/zinc/01/43/35/413014335.db2.gz LKGNRNANGDNBON-SNVBAGLBSA-N 2 2 260.345 0.504 20 0 CCADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CC[C@H](C)[NH3+])C1 ZINC000574874910 335054074 /nfs/dbraw/zinc/05/40/74/335054074.db2.gz VZJZADFFOKIULV-RYUDHWBXSA-N 2 2 285.388 0.115 20 0 CCADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CC[C@H](C)[NH3+])C1 ZINC000574874910 335054075 /nfs/dbraw/zinc/05/40/75/335054075.db2.gz VZJZADFFOKIULV-RYUDHWBXSA-N 2 2 285.388 0.115 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](C[NH2+]C)C2)CC1 ZINC000430606185 285305320 /nfs/dbraw/zinc/30/53/20/285305320.db2.gz UVIPULQEVKDXAX-LSDHHAIUSA-N 3 2 296.459 0.470 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](C[NH2+]C)C2)CC1 ZINC000430606185 285305321 /nfs/dbraw/zinc/30/53/21/285305321.db2.gz UVIPULQEVKDXAX-LSDHHAIUSA-N 3 2 296.459 0.470 20 0 CCADLP O[C@@H]1CCCC[C@H]1[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000305700874 285314195 /nfs/dbraw/zinc/31/41/95/285314195.db2.gz WGFGFXSASJIVFO-RBSFLKMASA-N 2 2 268.401 0.944 20 0 CCADLP O[C@@H]1CCCC[C@H]1[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000305700874 285314196 /nfs/dbraw/zinc/31/41/96/285314196.db2.gz WGFGFXSASJIVFO-RBSFLKMASA-N 2 2 268.401 0.944 20 0 CCADLP [NH3+][C@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000011754714 388774023 /nfs/dbraw/zinc/77/40/23/388774023.db2.gz BPWQWFIOURQEFB-ZDUSSCGKSA-N 2 2 263.341 0.135 20 0 CCADLP CCOC(=O)N1CCC([NH2+]CC[N@H+](CC)CCO)CC1 ZINC000184546918 388774397 /nfs/dbraw/zinc/77/43/97/388774397.db2.gz PPSVEJZKBPWJAP-UHFFFAOYSA-N 2 2 287.404 0.511 20 0 CCADLP CCOC(=O)N1CCC([NH2+]CC[N@@H+](CC)CCO)CC1 ZINC000184546918 388774401 /nfs/dbraw/zinc/77/44/01/388774401.db2.gz PPSVEJZKBPWJAP-UHFFFAOYSA-N 2 2 287.404 0.511 20 0 CCADLP CNC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000286671179 388844061 /nfs/dbraw/zinc/84/40/61/388844061.db2.gz GPTYHNVUKXNWTB-SWLSCSKDSA-N 2 2 293.415 0.481 20 0 CCADLP CNC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000286671179 388844064 /nfs/dbraw/zinc/84/40/64/388844064.db2.gz GPTYHNVUKXNWTB-SWLSCSKDSA-N 2 2 293.415 0.481 20 0 CCADLP CNC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000286671179 388844067 /nfs/dbraw/zinc/84/40/67/388844067.db2.gz GPTYHNVUKXNWTB-SWLSCSKDSA-N 2 2 293.415 0.481 20 0 CCADLP CNC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000286671179 388844072 /nfs/dbraw/zinc/84/40/72/388844072.db2.gz GPTYHNVUKXNWTB-SWLSCSKDSA-N 2 2 293.415 0.481 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000286084055 388832933 /nfs/dbraw/zinc/83/29/33/388832933.db2.gz AIRLOYWHKSLUGL-YPMHNXCESA-N 2 2 292.383 0.582 20 0 CCADLP CCC[C@@H]([NH3+])C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000040805226 388855433 /nfs/dbraw/zinc/85/54/33/388855433.db2.gz YRDNDWHHTMQMAO-LLVKDONJSA-N 2 2 257.378 0.341 20 0 CCADLP C[C@H](CNC(=O)c1c[nH+]ccc1N)[NH+]1CCOCC1 ZINC000188071132 388912502 /nfs/dbraw/zinc/91/25/02/388912502.db2.gz IHBUMBMZPDRVRK-SNVBAGLBSA-N 2 2 264.329 0.114 20 0 CCADLP C[N@H+]1CCC[C@@H]1CNC(=O)N1CCn2c[nH+]cc2C1 ZINC000291308715 388920119 /nfs/dbraw/zinc/92/01/19/388920119.db2.gz PMPXFHVMFBZMQM-LLVKDONJSA-N 2 2 263.345 0.503 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000189261161 388952954 /nfs/dbraw/zinc/95/29/54/388952954.db2.gz MQTJTEYXOZPWMO-LBPRGKRZSA-N 2 2 278.356 0.920 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000189261161 388952960 /nfs/dbraw/zinc/95/29/60/388952960.db2.gz MQTJTEYXOZPWMO-LBPRGKRZSA-N 2 2 278.356 0.920 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+]2CC(C)(C)OC(C)(C)C2)CC1 ZINC000190543162 388993647 /nfs/dbraw/zinc/99/36/47/388993647.db2.gz GDYQCCXZMVABAS-UHFFFAOYSA-N 2 2 283.416 0.650 20 0 CCADLP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000295198238 388994606 /nfs/dbraw/zinc/99/46/06/388994606.db2.gz OTLXYPZAYGYIFT-TZMCWYRMSA-N 2 2 277.368 0.442 20 0 CCADLP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000295198238 388994608 /nfs/dbraw/zinc/99/46/08/388994608.db2.gz OTLXYPZAYGYIFT-TZMCWYRMSA-N 2 2 277.368 0.442 20 0 CCADLP COCC[N@H+](CC[C@@H]1CCC[NH+]1C)CC(=O)N(C)C ZINC000089425379 389016242 /nfs/dbraw/zinc/01/62/42/389016242.db2.gz WDZJFHRBHIYKOZ-ZDUSSCGKSA-N 2 2 271.405 0.507 20 0 CCADLP COCC[N@@H+](CC[C@@H]1CCC[NH+]1C)CC(=O)N(C)C ZINC000089425379 389016248 /nfs/dbraw/zinc/01/62/48/389016248.db2.gz WDZJFHRBHIYKOZ-ZDUSSCGKSA-N 2 2 271.405 0.507 20 0 CCADLP COCC[NH+](CC[C@@H]1CCC[N@@H+]1C)CC(=O)N(C)C ZINC000089425379 389016254 /nfs/dbraw/zinc/01/62/54/389016254.db2.gz WDZJFHRBHIYKOZ-ZDUSSCGKSA-N 2 2 271.405 0.507 20 0 CCADLP COCC[NH+](CC[C@@H]1CCC[N@H+]1C)CC(=O)N(C)C ZINC000089425379 389016259 /nfs/dbraw/zinc/01/62/59/389016259.db2.gz WDZJFHRBHIYKOZ-ZDUSSCGKSA-N 2 2 271.405 0.507 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000337177939 389050220 /nfs/dbraw/zinc/05/02/20/389050220.db2.gz KAMNBSXODBEBJU-HZSPNIEDSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000337177939 389050226 /nfs/dbraw/zinc/05/02/26/389050226.db2.gz KAMNBSXODBEBJU-HZSPNIEDSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2CCOC[C@H]2C)[C@@H](C)C[NH+]1C ZINC000337177939 389050231 /nfs/dbraw/zinc/05/02/31/389050231.db2.gz KAMNBSXODBEBJU-HZSPNIEDSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2CCOC[C@H]2C)[C@@H](C)C[NH+]1C ZINC000337177939 389050236 /nfs/dbraw/zinc/05/02/36/389050236.db2.gz KAMNBSXODBEBJU-HZSPNIEDSA-N 2 2 255.406 0.732 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)NCCn1cc[nH+]c1 ZINC000193205879 389063132 /nfs/dbraw/zinc/06/31/32/389063132.db2.gz BKPRGVSTXADLNA-UHFFFAOYSA-N 2 2 283.376 0.151 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]C2CCC(C(N)=O)CC2)C1 ZINC000358175648 389144062 /nfs/dbraw/zinc/14/40/62/389144062.db2.gz MKMQSYVEEIVEEZ-IKWCTNDRSA-N 2 2 253.390 0.960 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]C2CCC(C(N)=O)CC2)C1 ZINC000358175648 389144063 /nfs/dbraw/zinc/14/40/63/389144063.db2.gz MKMQSYVEEIVEEZ-IKWCTNDRSA-N 2 2 253.390 0.960 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000358175772 389144372 /nfs/dbraw/zinc/14/43/72/389144372.db2.gz MXNXKRPNQWMLSD-XBFCOCLRSA-N 2 2 253.390 0.389 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000358175772 389144373 /nfs/dbraw/zinc/14/43/73/389144373.db2.gz MXNXKRPNQWMLSD-XBFCOCLRSA-N 2 2 253.390 0.389 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000358175772 389144376 /nfs/dbraw/zinc/14/43/76/389144376.db2.gz MXNXKRPNQWMLSD-XBFCOCLRSA-N 2 2 253.390 0.389 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000358175772 389144378 /nfs/dbraw/zinc/14/43/78/389144378.db2.gz MXNXKRPNQWMLSD-XBFCOCLRSA-N 2 2 253.390 0.389 20 0 CCADLP CCOC(=O)C(C)(C)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338281679 389104847 /nfs/dbraw/zinc/10/48/47/389104847.db2.gz SDWLIQPBDXGXOH-UHFFFAOYSA-N 2 2 299.415 0.424 20 0 CCADLP CCOC(=O)C(C)(C)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338281679 389104848 /nfs/dbraw/zinc/10/48/48/389104848.db2.gz SDWLIQPBDXGXOH-UHFFFAOYSA-N 2 2 299.415 0.424 20 0 CCADLP Cn1c[nH+]cc1C[NH2+]CC(=O)NCCc1ccccc1 ZINC000111400378 389107173 /nfs/dbraw/zinc/10/71/73/389107173.db2.gz NYYLZWNJCBQDJT-UHFFFAOYSA-N 2 2 272.352 0.869 20 0 CCADLP COCc1ccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)o1 ZINC000313351891 389113161 /nfs/dbraw/zinc/11/31/61/389113161.db2.gz KVIQQYOCRFJXSQ-CYBMUJFWSA-N 2 2 254.330 0.976 20 0 CCADLP COCc1ccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)o1 ZINC000313351891 389113163 /nfs/dbraw/zinc/11/31/63/389113163.db2.gz KVIQQYOCRFJXSQ-CYBMUJFWSA-N 2 2 254.330 0.976 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCc3ccccc3NC2=O)CCCO1 ZINC000313350414 389113172 /nfs/dbraw/zinc/11/31/72/389113172.db2.gz MTZJBVVQYFDYSH-HIFRSBDPSA-N 2 2 289.379 0.990 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCc3ccccc3NC2=O)CCCO1 ZINC000313350414 389113174 /nfs/dbraw/zinc/11/31/74/389113174.db2.gz MTZJBVVQYFDYSH-HIFRSBDPSA-N 2 2 289.379 0.990 20 0 CCADLP CCCCCNC(=O)[C@@H](C)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313377001 389114184 /nfs/dbraw/zinc/11/41/84/389114184.db2.gz FCDUCSFYDCTMDJ-OLZOCXBDSA-N 2 2 271.405 0.731 20 0 CCADLP CCCCCNC(=O)[C@@H](C)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313377001 389114186 /nfs/dbraw/zinc/11/41/86/389114186.db2.gz FCDUCSFYDCTMDJ-OLZOCXBDSA-N 2 2 271.405 0.731 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H]2CCCS2(=O)=O)n1C ZINC000212561015 389131719 /nfs/dbraw/zinc/13/17/19/389131719.db2.gz NMFDCMDPKCQCDW-NSHDSACASA-N 2 2 286.401 0.153 20 0 CCADLP CN1CC[C@@H]([NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC000116279139 389133399 /nfs/dbraw/zinc/13/33/99/389133399.db2.gz VOJXSVUPJNMCMD-LSDHHAIUSA-N 2 2 294.443 0.319 20 0 CCADLP CN1CC[C@@H]([NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C1=O ZINC000116279139 389133403 /nfs/dbraw/zinc/13/34/03/389133403.db2.gz VOJXSVUPJNMCMD-LSDHHAIUSA-N 2 2 294.443 0.319 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843873 389136951 /nfs/dbraw/zinc/13/69/51/389136951.db2.gz LPRNLQNYRWEBOC-WDEREUQCSA-N 2 2 270.377 0.104 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843873 389136953 /nfs/dbraw/zinc/13/69/53/389136953.db2.gz LPRNLQNYRWEBOC-WDEREUQCSA-N 2 2 270.377 0.104 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843873 389136956 /nfs/dbraw/zinc/13/69/56/389136956.db2.gz LPRNLQNYRWEBOC-WDEREUQCSA-N 2 2 270.377 0.104 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843873 389136959 /nfs/dbraw/zinc/13/69/59/389136959.db2.gz LPRNLQNYRWEBOC-WDEREUQCSA-N 2 2 270.377 0.104 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000129448630 389187656 /nfs/dbraw/zinc/18/76/56/389187656.db2.gz GLZTWNBHIRRPAG-OLZOCXBDSA-N 2 2 263.341 0.133 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000129448630 389187661 /nfs/dbraw/zinc/18/76/61/389187661.db2.gz GLZTWNBHIRRPAG-OLZOCXBDSA-N 2 2 263.341 0.133 20 0 CCADLP COc1ccccc1[C@@H](CNC(=O)C[NH+](C)C)[NH+](C)C ZINC000340093797 389150589 /nfs/dbraw/zinc/15/05/89/389150589.db2.gz WYJLHYPMSIJOIM-CYBMUJFWSA-N 2 2 279.384 0.976 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)C2CCOCC2)C[N@@H+]1C1CC1 ZINC000360796879 389204462 /nfs/dbraw/zinc/20/44/62/389204462.db2.gz ACKXMJFLCYTVHR-KYOSRNDESA-N 2 2 268.401 0.989 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)C2CCOCC2)C[N@H+]1C1CC1 ZINC000360796879 389204465 /nfs/dbraw/zinc/20/44/65/389204465.db2.gz ACKXMJFLCYTVHR-KYOSRNDESA-N 2 2 268.401 0.989 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CC[NH2+]CC1(F)F)Cn1cc[nH+]c1 ZINC000342691329 389242401 /nfs/dbraw/zinc/24/24/01/389242401.db2.gz HDXUPXRVRHVIAG-MNOVXSKESA-N 2 2 286.326 0.880 20 0 CCADLP C[C@@H]1CC[C@H](C[N@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)O1 ZINC000364381135 389260670 /nfs/dbraw/zinc/26/06/70/389260670.db2.gz JDIHPFOBAMHAOX-BZUAXINKSA-N 2 2 297.443 0.502 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+](C2CC2)CC1)[NH+]1CCSCC1 ZINC000131526625 389214076 /nfs/dbraw/zinc/21/40/76/389214076.db2.gz VSVZXDJRNPRYKI-LBPRGKRZSA-N 2 2 283.441 0.730 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000245611730 389214320 /nfs/dbraw/zinc/21/43/20/389214320.db2.gz LLCZXZMQWUKMCF-VXGBXAGGSA-N 2 2 275.418 0.094 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000245611730 389214321 /nfs/dbraw/zinc/21/43/21/389214321.db2.gz LLCZXZMQWUKMCF-VXGBXAGGSA-N 2 2 275.418 0.094 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000245611730 389214323 /nfs/dbraw/zinc/21/43/23/389214323.db2.gz LLCZXZMQWUKMCF-VXGBXAGGSA-N 2 2 275.418 0.094 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000245611730 389214325 /nfs/dbraw/zinc/21/43/25/389214325.db2.gz LLCZXZMQWUKMCF-VXGBXAGGSA-N 2 2 275.418 0.094 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000245666670 389214947 /nfs/dbraw/zinc/21/49/47/389214947.db2.gz ALBMBLUQJGLFNX-ZNMIVQPWSA-N 2 2 294.443 0.365 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000245666670 389214949 /nfs/dbraw/zinc/21/49/49/389214949.db2.gz ALBMBLUQJGLFNX-ZNMIVQPWSA-N 2 2 294.443 0.365 20 0 CCADLP COc1c[nH+]ccc1N1CC[NH+](CC(=O)NC(C)C)CC1 ZINC000361519275 389218667 /nfs/dbraw/zinc/21/86/67/389218667.db2.gz NMUKLLVKNCPOGN-UHFFFAOYSA-N 2 2 292.383 0.737 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000133713619 389238060 /nfs/dbraw/zinc/23/80/60/389238060.db2.gz OUGWMAFZPPHZQJ-VXGBXAGGSA-N 2 2 262.357 0.714 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000331665739 389309940 /nfs/dbraw/zinc/30/99/40/389309940.db2.gz PHGOIHPTTKQJKN-SMDDNHRTSA-N 2 2 282.388 0.248 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000331665739 389309944 /nfs/dbraw/zinc/30/99/44/389309944.db2.gz PHGOIHPTTKQJKN-SMDDNHRTSA-N 2 2 282.388 0.248 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000331665739 389309945 /nfs/dbraw/zinc/30/99/45/389309945.db2.gz PHGOIHPTTKQJKN-SMDDNHRTSA-N 2 2 282.388 0.248 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000331665739 389309948 /nfs/dbraw/zinc/30/99/48/389309948.db2.gz PHGOIHPTTKQJKN-SMDDNHRTSA-N 2 2 282.388 0.248 20 0 CCADLP O=C(C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)N1CCNC1=O ZINC000154090585 389310319 /nfs/dbraw/zinc/31/03/19/389310319.db2.gz ZBXYIHDOGOBHKY-LBPRGKRZSA-N 2 2 290.323 0.087 20 0 CCADLP O=C(C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)N1CCNC1=O ZINC000154090585 389310320 /nfs/dbraw/zinc/31/03/20/389310320.db2.gz ZBXYIHDOGOBHKY-LBPRGKRZSA-N 2 2 290.323 0.087 20 0 CCADLP C[C@@H](Nc1nc(N(C)C)cc[nH+]1)[C@@H]1C[N@H+](C)CCO1 ZINC000154782310 389314724 /nfs/dbraw/zinc/31/47/24/389314724.db2.gz CHCJTXVQPLIEJX-MNOVXSKESA-N 2 2 265.361 0.674 20 0 CCADLP C[C@@H](Nc1nc(N(C)C)cc[nH+]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000154782310 389314725 /nfs/dbraw/zinc/31/47/25/389314725.db2.gz CHCJTXVQPLIEJX-MNOVXSKESA-N 2 2 265.361 0.674 20 0 CCADLP C[NH+]1CCC([N@H+](CCO)CC2=CCCOC2)CC1 ZINC000155500793 389319108 /nfs/dbraw/zinc/31/91/08/389319108.db2.gz OBNUIOPGDULKCI-UHFFFAOYSA-N 2 2 254.374 0.722 20 0 CCADLP C[NH+]1CCC([N@@H+](CCO)CC2=CCCOC2)CC1 ZINC000155500793 389319109 /nfs/dbraw/zinc/31/91/09/389319109.db2.gz OBNUIOPGDULKCI-UHFFFAOYSA-N 2 2 254.374 0.722 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000367083380 389319432 /nfs/dbraw/zinc/31/94/32/389319432.db2.gz FQRJOUFTLKFNDA-AWEZNQCLSA-N 2 2 276.384 0.896 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)Cn1cccn1 ZINC000137456083 389270110 /nfs/dbraw/zinc/27/01/10/389270110.db2.gz GHHIXIFOTRIXQJ-UONOGXRCSA-N 2 2 266.389 0.972 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)Cn1cccn1 ZINC000137456083 389270111 /nfs/dbraw/zinc/27/01/11/389270111.db2.gz GHHIXIFOTRIXQJ-UONOGXRCSA-N 2 2 266.389 0.972 20 0 CCADLP COC(=O)C1(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000344204003 389279688 /nfs/dbraw/zinc/27/96/88/389279688.db2.gz ZFAHMNBUFPPJMP-CQSZACIVSA-N 2 2 296.411 0.984 20 0 CCADLP COC(=O)C1(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000344204003 389279690 /nfs/dbraw/zinc/27/96/90/389279690.db2.gz ZFAHMNBUFPPJMP-CQSZACIVSA-N 2 2 296.411 0.984 20 0 CCADLP C[C@@H](C[NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000262305911 389284364 /nfs/dbraw/zinc/28/43/64/389284364.db2.gz CGSCNXOIIQZWEL-ZFWWWQNUSA-N 2 2 291.395 0.771 20 0 CCADLP C[C@H]1CCOCC[NH+]1CC(O)C[N@H+]1CCOCC[C@@H]1C ZINC000365706430 389285939 /nfs/dbraw/zinc/28/59/39/389285939.db2.gz QSHWQVDWDLEFRO-KBPBESRZSA-N 2 2 286.416 0.569 20 0 CCADLP C[C@H]1CCOCC[NH+]1CC(O)C[N@@H+]1CCOCC[C@@H]1C ZINC000365706430 389285943 /nfs/dbraw/zinc/28/59/43/389285943.db2.gz QSHWQVDWDLEFRO-KBPBESRZSA-N 2 2 286.416 0.569 20 0 CCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366568505 389305497 /nfs/dbraw/zinc/30/54/97/389305497.db2.gz WSSBNDHCVIVSOS-AWEZNQCLSA-N 2 2 253.390 0.882 20 0 CCADLP CCN(CC)C(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366568505 389305501 /nfs/dbraw/zinc/30/55/01/389305501.db2.gz WSSBNDHCVIVSOS-AWEZNQCLSA-N 2 2 253.390 0.882 20 0 CCADLP CCN(CC)C(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366568505 389305503 /nfs/dbraw/zinc/30/55/03/389305503.db2.gz WSSBNDHCVIVSOS-AWEZNQCLSA-N 2 2 253.390 0.882 20 0 CCADLP CCN(CC)C(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366568505 389305505 /nfs/dbraw/zinc/30/55/05/389305505.db2.gz WSSBNDHCVIVSOS-AWEZNQCLSA-N 2 2 253.390 0.882 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000345440582 389306154 /nfs/dbraw/zinc/30/61/54/389306154.db2.gz ZRUDJPXBLHPODK-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC000345440582 389306158 /nfs/dbraw/zinc/30/61/58/389306158.db2.gz ZRUDJPXBLHPODK-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000331683384 389309641 /nfs/dbraw/zinc/30/96/41/389309641.db2.gz ROPQOVHWNTWYIY-DOMZBBRYSA-N 2 2 296.415 0.685 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000331683384 389309642 /nfs/dbraw/zinc/30/96/42/389309642.db2.gz ROPQOVHWNTWYIY-DOMZBBRYSA-N 2 2 296.415 0.685 20 0 CCADLP C[C@@H](CC(N)=O)[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000267238535 389368989 /nfs/dbraw/zinc/36/89/89/389368989.db2.gz MLFYIVUGJYTLOE-LBPRGKRZSA-N 2 2 275.396 0.939 20 0 CCADLP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000349669123 389419117 /nfs/dbraw/zinc/41/91/17/389419117.db2.gz PUCCOZIUYRHWHJ-ZIAGYGMSSA-N 2 2 299.463 0.262 20 0 CCADLP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000349669123 389419119 /nfs/dbraw/zinc/41/91/19/389419119.db2.gz PUCCOZIUYRHWHJ-ZIAGYGMSSA-N 2 2 299.463 0.262 20 0 CCADLP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1CN(C)CC[NH+]1C ZINC000348377378 389374923 /nfs/dbraw/zinc/37/49/23/389374923.db2.gz MPGGGAOTAACFCI-UONOGXRCSA-N 2 2 299.463 0.262 20 0 CCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H]1CN(C)CC[NH+]1C ZINC000348377378 389374928 /nfs/dbraw/zinc/37/49/28/389374928.db2.gz MPGGGAOTAACFCI-UONOGXRCSA-N 2 2 299.463 0.262 20 0 CCADLP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000348377378 389374932 /nfs/dbraw/zinc/37/49/32/389374932.db2.gz MPGGGAOTAACFCI-UONOGXRCSA-N 2 2 299.463 0.262 20 0 CCADLP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000348377378 389374937 /nfs/dbraw/zinc/37/49/37/389374937.db2.gz MPGGGAOTAACFCI-UONOGXRCSA-N 2 2 299.463 0.262 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@@H+]1CCOC[C@H]1C)[NH+](C)C ZINC000348820158 389393129 /nfs/dbraw/zinc/39/31/29/389393129.db2.gz WKEYIXZKCKYZEU-OLZOCXBDSA-N 2 2 271.405 0.410 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@H+]1CCOC[C@H]1C)[NH+](C)C ZINC000348820158 389393132 /nfs/dbraw/zinc/39/31/32/389393132.db2.gz WKEYIXZKCKYZEU-OLZOCXBDSA-N 2 2 271.405 0.410 20 0 CCADLP CN(C)[C@H](C(=O)N(C)C[C@H]1CCC[N@@H+]1C)c1c[nH+]cn1C ZINC000422039819 389393974 /nfs/dbraw/zinc/39/39/74/389393974.db2.gz RRCYWAHDKJJGEY-OCCSQVGLSA-N 2 2 293.415 0.575 20 0 CCADLP CN(C)[C@H](C(=O)N(C)C[C@H]1CCC[N@H+]1C)c1c[nH+]cn1C ZINC000422039819 389393977 /nfs/dbraw/zinc/39/39/77/389393977.db2.gz RRCYWAHDKJJGEY-OCCSQVGLSA-N 2 2 293.415 0.575 20 0 CCADLP CC[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369373302 389395914 /nfs/dbraw/zinc/39/59/14/389395914.db2.gz OTHJTFBVBILCEN-CHWSQXEVSA-N 2 2 298.431 0.225 20 0 CCADLP CC[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369373302 389395916 /nfs/dbraw/zinc/39/59/16/389395916.db2.gz OTHJTFBVBILCEN-CHWSQXEVSA-N 2 2 298.431 0.225 20 0 CCADLP C[C@@H]1CN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C[C@@H]1[NH+](C)C ZINC000332984071 389399721 /nfs/dbraw/zinc/39/97/21/389399721.db2.gz AUBPTXQELABOLP-AGIUHOORSA-N 2 2 291.399 0.789 20 0 CCADLP CC[N@H+](CCO)CCNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422211902 389407985 /nfs/dbraw/zinc/40/79/85/389407985.db2.gz QNCBPMJBRMHULX-UHFFFAOYSA-N 2 2 294.399 0.812 20 0 CCADLP CC[N@@H+](CCO)CCNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422211902 389407992 /nfs/dbraw/zinc/40/79/92/389407992.db2.gz QNCBPMJBRMHULX-UHFFFAOYSA-N 2 2 294.399 0.812 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](CCO)CC2)CC1 ZINC000421006157 389345466 /nfs/dbraw/zinc/34/54/66/389345466.db2.gz AYDJNOMZDJXHMT-CQSZACIVSA-N 2 2 283.416 0.245 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](CCO)CC2)CC1 ZINC000421006157 389345469 /nfs/dbraw/zinc/34/54/69/389345469.db2.gz AYDJNOMZDJXHMT-CQSZACIVSA-N 2 2 283.416 0.245 20 0 CCADLP CCc1nc2n(n1)C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)CC2 ZINC000332664791 389356132 /nfs/dbraw/zinc/35/61/32/389356132.db2.gz YASJHIKYUAPQKY-QJPTWQEYSA-N 2 2 263.389 0.743 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CCCCO)CC1 ZINC000349916722 389460396 /nfs/dbraw/zinc/46/03/96/389460396.db2.gz XGTSYVKLEGZVEN-ZDUSSCGKSA-N 2 2 271.405 0.243 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CCCCO)CC1 ZINC000349916722 389460401 /nfs/dbraw/zinc/46/04/01/389460401.db2.gz XGTSYVKLEGZVEN-ZDUSSCGKSA-N 2 2 271.405 0.243 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H](O)Cc1ccccc1 ZINC000422732697 389461387 /nfs/dbraw/zinc/46/13/87/389461387.db2.gz AHIDLHTYPYRCMV-VNQPRFMTSA-N 2 2 278.396 0.947 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CCC(C[NH3+])CC1 ZINC000422735986 389462479 /nfs/dbraw/zinc/46/24/79/389462479.db2.gz VKODTFSFLPGNJV-AWEZNQCLSA-N 2 2 283.416 0.685 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CCC(C[NH3+])CC1 ZINC000422735986 389462481 /nfs/dbraw/zinc/46/24/81/389462481.db2.gz VKODTFSFLPGNJV-AWEZNQCLSA-N 2 2 283.416 0.685 20 0 CCADLP CS[C@H]1CN(Cc2c[nH+]cn2C)C[C@@H]1[NH+](C)C ZINC000272067725 389463107 /nfs/dbraw/zinc/46/31/07/389463107.db2.gz TZDZFESSSOCBNX-RYUDHWBXSA-N 2 2 254.403 0.898 20 0 CCADLP C[NH+]1CCC(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000422742813 389463676 /nfs/dbraw/zinc/46/36/76/389463676.db2.gz QQAJOOBQTUOSRR-GJZGRUSLSA-N 3 2 267.417 0.685 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)[C@H](C)N1CCOCC1 ZINC000422743897 389465353 /nfs/dbraw/zinc/46/53/53/389465353.db2.gz SCPJGWCEBKPZBS-CBBWQLFWSA-N 2 2 285.432 0.452 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@H]1CCC[NH2+]1 ZINC000422743760 389465666 /nfs/dbraw/zinc/46/56/66/389465666.db2.gz RTZRWQAKHOQBNN-MELADBBJSA-N 3 2 282.432 0.304 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@H]1CCC[NH2+]1 ZINC000422743760 389465669 /nfs/dbraw/zinc/46/56/69/389465669.db2.gz RTZRWQAKHOQBNN-MELADBBJSA-N 3 2 282.432 0.304 20 0 CCADLP COC(=O)[C@H]1C[C@H](OC)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000373206589 389466732 /nfs/dbraw/zinc/46/67/32/389466732.db2.gz WIZVJWDKHVJOJL-VXGBXAGGSA-N 2 2 267.329 0.536 20 0 CCADLP COC(=O)[C@H]1C[C@H](OC)CC[N@H+]1CCn1cc[nH+]c1 ZINC000373206589 389466734 /nfs/dbraw/zinc/46/67/34/389466734.db2.gz WIZVJWDKHVJOJL-VXGBXAGGSA-N 2 2 267.329 0.536 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC(C)(C)N1CCOCC1 ZINC000422755143 389467558 /nfs/dbraw/zinc/46/75/58/389467558.db2.gz KGZSAJMXNBASNP-QWHCGFSZSA-N 2 2 255.406 0.685 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000422794550 389476592 /nfs/dbraw/zinc/47/65/92/389476592.db2.gz YYAGDEHEFZPEIY-OLZOCXBDSA-N 2 2 269.389 0.356 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000422794550 389476593 /nfs/dbraw/zinc/47/65/93/389476593.db2.gz YYAGDEHEFZPEIY-OLZOCXBDSA-N 2 2 269.389 0.356 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)c1ccco1)[C@H]1CCC[NH2+]1 ZINC000422807437 389479437 /nfs/dbraw/zinc/47/94/37/389479437.db2.gz OWTPKRHOJQRGFZ-GHMZBOCLSA-N 2 2 251.330 0.740 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2cn[nH]c2)CC1 ZINC000274062750 389481101 /nfs/dbraw/zinc/48/11/01/389481101.db2.gz PBAHKCBZUCJBJL-VXGBXAGGSA-N 2 2 279.388 0.613 20 0 CCADLP CC[N@@H+]1CCN(c2cc(NC[C@H](C)O)[nH+]cn2)[C@@H](C)C1 ZINC000413281600 389488888 /nfs/dbraw/zinc/48/88/88/389488888.db2.gz NMOIGTRBTQUJKR-RYUDHWBXSA-N 2 2 279.388 0.800 20 0 CCADLP CC[N@H+]1CCN(c2cc(NC[C@H](C)O)[nH+]cn2)[C@@H](C)C1 ZINC000413281600 389488890 /nfs/dbraw/zinc/48/88/90/389488890.db2.gz NMOIGTRBTQUJKR-RYUDHWBXSA-N 2 2 279.388 0.800 20 0 CCADLP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)C1C[NH2+]C1 ZINC000422692590 389452827 /nfs/dbraw/zinc/45/28/27/389452827.db2.gz KKQYAFHXFKFGMH-SMDDNHRTSA-N 2 2 259.353 0.989 20 0 CCADLP [NH3+][C@@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000422690854 389453186 /nfs/dbraw/zinc/45/31/86/389453186.db2.gz HAXLFCOXFIMPIS-KGLIPLIRSA-N 2 2 281.400 0.437 20 0 CCADLP [NH3+][C@@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000422690854 389453189 /nfs/dbraw/zinc/45/31/89/389453189.db2.gz HAXLFCOXFIMPIS-KGLIPLIRSA-N 2 2 281.400 0.437 20 0 CCADLP CCCC[N@@H+](C)CCN[C@H]1CC[NH2+][C@@H]1C(=O)OCC ZINC000422707113 389454862 /nfs/dbraw/zinc/45/48/62/389454862.db2.gz GSOFEMHWVBVLAY-STQMWFEESA-N 2 2 271.405 0.602 20 0 CCADLP CS[C@@H]1CN(CCn2cc[nH+]c2)C[C@H]1[NH+](C)C ZINC000272019775 389457304 /nfs/dbraw/zinc/45/73/04/389457304.db2.gz LEVYETIQBDFLQO-VXGBXAGGSA-N 2 2 254.403 0.861 20 0 CCADLP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCCC[NH2+]1 ZINC000422720827 389458696 /nfs/dbraw/zinc/45/86/96/389458696.db2.gz TYVCNCBKBVWLKC-UONOGXRCSA-N 3 2 282.432 0.271 20 0 CCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000334798887 389505305 /nfs/dbraw/zinc/50/53/05/389505305.db2.gz AGSSCYDQGNPZNG-RYUDHWBXSA-N 2 2 262.357 0.608 20 0 CCADLP CC(C)[C@@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000422968961 389510955 /nfs/dbraw/zinc/51/09/55/389510955.db2.gz YFGUVVJAWQMMPL-OWCLPIDISA-N 3 2 282.476 0.989 20 0 CCADLP CCNC(=O)C(C)(C)C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422968019 389511296 /nfs/dbraw/zinc/51/12/96/389511296.db2.gz QJHIOGQMKIWGKY-CHWSQXEVSA-N 2 2 283.416 0.505 20 0 CCADLP COCC(COC)[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000413476995 389517295 /nfs/dbraw/zinc/51/72/95/389517295.db2.gz PTJADPCHDBDXMD-UHFFFAOYSA-N 2 2 280.372 0.568 20 0 CCADLP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)[NH+]1CCOCC1 ZINC000276630804 389520504 /nfs/dbraw/zinc/52/05/04/389520504.db2.gz SPYSFBJLUSMYRW-LBPRGKRZSA-N 2 2 280.372 0.190 20 0 CCADLP CC(C)C(=O)NCCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423014237 389522913 /nfs/dbraw/zinc/52/29/13/389522913.db2.gz OMQZOEXOWLKKQH-UONOGXRCSA-N 2 2 283.416 0.505 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000276672602 389526274 /nfs/dbraw/zinc/52/62/74/389526274.db2.gz ZNWSINKRWGXZLU-BLDJZWNYSA-N 2 2 278.356 0.336 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000276672602 389526277 /nfs/dbraw/zinc/52/62/77/389526277.db2.gz ZNWSINKRWGXZLU-BLDJZWNYSA-N 2 2 278.356 0.336 20 0 CCADLP COC(=O)c1cn(CC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)nn1 ZINC000423100406 389535559 /nfs/dbraw/zinc/53/55/59/389535559.db2.gz GUJOFKDSCJGLOE-WDEREUQCSA-N 2 2 281.360 0.185 20 0 CCADLP CC(C)N1CC[C@@H]([NH+]2CCC([N@H+](C)CCCO)CC2)C1=O ZINC000175236365 389538838 /nfs/dbraw/zinc/53/88/38/389538838.db2.gz ZJEQBEGZUCSEIJ-OAHLLOKOSA-N 2 2 297.443 0.774 20 0 CCADLP CC(C)N1CC[C@@H]([NH+]2CCC([N@@H+](C)CCCO)CC2)C1=O ZINC000175236365 389538841 /nfs/dbraw/zinc/53/88/41/389538841.db2.gz ZJEQBEGZUCSEIJ-OAHLLOKOSA-N 2 2 297.443 0.774 20 0 CCADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000423185929 389550329 /nfs/dbraw/zinc/55/03/29/389550329.db2.gz JOIXVPIASBESRT-WCQYABFASA-N 2 2 297.424 0.997 20 0 CCADLP CC[NH2+]CC[NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000423246578 389556949 /nfs/dbraw/zinc/55/69/49/389556949.db2.gz NZMISDRPEVTNMY-LLVKDONJSA-N 2 2 285.413 0.855 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@H](C[NH3+])CC(C)C ZINC000423267097 389558411 /nfs/dbraw/zinc/55/84/11/389558411.db2.gz SPXZWELNVVLIES-QJPTWQEYSA-N 2 2 257.378 0.243 20 0 CCADLP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+][C@H](C[NH3+])CC(C)C ZINC000423267097 389558414 /nfs/dbraw/zinc/55/84/14/389558414.db2.gz SPXZWELNVVLIES-QJPTWQEYSA-N 2 2 257.378 0.243 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)CC1 ZINC000423302820 389560789 /nfs/dbraw/zinc/56/07/89/389560789.db2.gz KRSZJFYZPUYIBH-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H]1C[N@H+](CCCNC(=O)Cn2cc[nH+]c2)CCCO1 ZINC000278648742 389561032 /nfs/dbraw/zinc/56/10/32/389561032.db2.gz SOKAGDYYHQTNAA-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP C[C@@H]1C[N@@H+](CCCNC(=O)Cn2cc[nH+]c2)CCCO1 ZINC000278648742 389561035 /nfs/dbraw/zinc/56/10/35/389561035.db2.gz SOKAGDYYHQTNAA-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP CC1(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC[NH2+]CC1 ZINC000423323531 389565388 /nfs/dbraw/zinc/56/53/88/389565388.db2.gz IADHNJABOHEETP-KBPBESRZSA-N 3 2 267.417 0.733 20 0 CCADLP CC[C@@H]([NH2+]CCS(=O)(=O)N(CC)CC)[C@@H]1CCC[NH2+]1 ZINC000422862592 389495484 /nfs/dbraw/zinc/49/54/84/389495484.db2.gz QIHJPPJGIGJCQJ-OLZOCXBDSA-N 2 2 291.461 0.778 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1NCC[N@H+](C)C(C)C ZINC000422882354 389498835 /nfs/dbraw/zinc/49/88/35/389498835.db2.gz SAGNDQIFJYDUOD-NEPJUHHUSA-N 2 2 257.378 0.210 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1NCC[N@@H+](C)C(C)C ZINC000422882354 389498842 /nfs/dbraw/zinc/49/88/42/389498842.db2.gz SAGNDQIFJYDUOD-NEPJUHHUSA-N 2 2 257.378 0.210 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000422882457 389498877 /nfs/dbraw/zinc/49/88/77/389498877.db2.gz SHTLLHMHMWPKIL-MELADBBJSA-N 3 2 284.448 0.645 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000422882457 389498878 /nfs/dbraw/zinc/49/88/78/389498878.db2.gz SHTLLHMHMWPKIL-MELADBBJSA-N 3 2 284.448 0.645 20 0 CCADLP C[C@H](CCN1CCOCC1)[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422910369 389504968 /nfs/dbraw/zinc/50/49/68/389504968.db2.gz HXAOWZRIOGZANF-QLFBSQMISA-N 2 2 285.432 0.454 20 0 CCADLP C[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000334798887 389505303 /nfs/dbraw/zinc/50/53/03/389505303.db2.gz AGSSCYDQGNPZNG-RYUDHWBXSA-N 2 2 262.357 0.608 20 0 CCADLP CC(C)COC[C@H](O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414314566 389611746 /nfs/dbraw/zinc/61/17/46/389611746.db2.gz LJBVNGBEVJXTTN-CYBMUJFWSA-N 2 2 284.404 0.609 20 0 CCADLP CC[C@@H](C)[C@@H](O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414356275 389612406 /nfs/dbraw/zinc/61/24/06/389612406.db2.gz YYMMZZYPAPMIBW-PWSUYJOCSA-N 2 2 254.378 0.983 20 0 CCADLP CN(CC[NH3+])C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000423993617 389617422 /nfs/dbraw/zinc/61/74/22/389617422.db2.gz BCFRPXNLWLZVMA-GFCCVEGCSA-N 2 2 255.362 0.047 20 0 CCADLP CN(CC[NH3+])C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000423993617 389617427 /nfs/dbraw/zinc/61/74/27/389617427.db2.gz BCFRPXNLWLZVMA-GFCCVEGCSA-N 2 2 255.362 0.047 20 0 CCADLP COc1c(O)cccc1C[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414959389 389647519 /nfs/dbraw/zinc/64/75/19/389647519.db2.gz FHBBMDDSAJLCNJ-GFCCVEGCSA-N 2 2 265.357 0.394 20 0 CCADLP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000414647860 389625031 /nfs/dbraw/zinc/62/50/31/389625031.db2.gz AJBPGGNCLWFURA-LBPRGKRZSA-N 3 2 270.421 0.161 20 0 CCADLP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000414647860 389625034 /nfs/dbraw/zinc/62/50/34/389625034.db2.gz AJBPGGNCLWFURA-LBPRGKRZSA-N 3 2 270.421 0.161 20 0 CCADLP CCOC(=O)c1ccc(N2CC[NH+](CCC[NH3+])CC2)nc1 ZINC000414672390 389626422 /nfs/dbraw/zinc/62/64/22/389626422.db2.gz HPIDTFKCNJWSJN-UHFFFAOYSA-N 2 2 292.383 0.729 20 0 CCADLP CC(C)C[C@H]([NH3+])CN1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000414684552 389627336 /nfs/dbraw/zinc/62/73/36/389627336.db2.gz VXUQYCKDHOVVJM-KGLIPLIRSA-N 2 2 296.459 0.645 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCOCC2(CCC2)C1)C1CC1 ZINC000351601424 389628364 /nfs/dbraw/zinc/62/83/64/389628364.db2.gz FWDHJIHGEMINLT-CQSZACIVSA-N 2 2 268.401 0.944 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCOCC2(CCC2)C1)C1CC1 ZINC000351601424 389628366 /nfs/dbraw/zinc/62/83/66/389628366.db2.gz FWDHJIHGEMINLT-CQSZACIVSA-N 2 2 268.401 0.944 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCOCC2(CCC2)C1)C1CC1 ZINC000351601424 389628370 /nfs/dbraw/zinc/62/83/70/389628370.db2.gz FWDHJIHGEMINLT-CQSZACIVSA-N 2 2 268.401 0.944 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCOCC2(CCC2)C1)C1CC1 ZINC000351601424 389628373 /nfs/dbraw/zinc/62/83/73/389628373.db2.gz FWDHJIHGEMINLT-CQSZACIVSA-N 2 2 268.401 0.944 20 0 CCADLP c1cn(-c2csc(C[NH2+]CCN3CC[NH2+]CC3)c2)c[nH+]1 ZINC000414870855 389641758 /nfs/dbraw/zinc/64/17/58/389641758.db2.gz SYBPJYDYJACMLV-UHFFFAOYSA-N 3 2 291.424 0.929 20 0 CCADLP CN(C)C(=O)COc1ccccc1C[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414890424 389644245 /nfs/dbraw/zinc/64/42/45/389644245.db2.gz HHYUZRAPNVWTGL-AWEZNQCLSA-N 2 2 291.395 0.981 20 0 CCADLP COC[C@@]1(C[NH2+]Cc2nc(C)ccc2O)CCC[NH2+]1 ZINC000414938927 389645689 /nfs/dbraw/zinc/64/56/89/389645689.db2.gz FRHQUTLGQYLUIP-AWEZNQCLSA-N 2 2 265.357 0.954 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000423479288 389592812 /nfs/dbraw/zinc/59/28/12/389592812.db2.gz NKVSKAZUKAFJDN-STQMWFEESA-N 2 2 269.389 0.341 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000423479288 389592814 /nfs/dbraw/zinc/59/28/14/389592814.db2.gz NKVSKAZUKAFJDN-STQMWFEESA-N 2 2 269.389 0.341 20 0 CCADLP CN(C(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)c1nccs1 ZINC000351493141 389593763 /nfs/dbraw/zinc/59/37/63/389593763.db2.gz LYZVKEAXGHZFDS-AXFHLTTASA-N 2 2 280.397 0.775 20 0 CCADLP CN(C(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)c1nccs1 ZINC000351493141 389593766 /nfs/dbraw/zinc/59/37/66/389593766.db2.gz LYZVKEAXGHZFDS-AXFHLTTASA-N 2 2 280.397 0.775 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000423509351 389597864 /nfs/dbraw/zinc/59/78/64/389597864.db2.gz JODKQGJQBRKBFR-HZSPNIEDSA-N 2 2 283.416 0.683 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000423509351 389597866 /nfs/dbraw/zinc/59/78/66/389597866.db2.gz JODKQGJQBRKBFR-HZSPNIEDSA-N 2 2 283.416 0.683 20 0 CCADLP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cn1 ZINC000414109810 389601125 /nfs/dbraw/zinc/60/11/25/389601125.db2.gz HNZZFTBFBFRIMJ-UKRRQHHQSA-N 2 2 292.427 0.857 20 0 CCADLP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cn1 ZINC000414109810 389601128 /nfs/dbraw/zinc/60/11/28/389601128.db2.gz HNZZFTBFBFRIMJ-UKRRQHHQSA-N 2 2 292.427 0.857 20 0 CCADLP COCC[N@H+](C)CCC[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000182399734 389708168 /nfs/dbraw/zinc/70/81/68/389708168.db2.gz WKIFVQIGZRXDNB-LBPRGKRZSA-N 2 2 278.418 0.122 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000182399734 389708171 /nfs/dbraw/zinc/70/81/71/389708171.db2.gz WKIFVQIGZRXDNB-LBPRGKRZSA-N 2 2 278.418 0.122 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC000414973656 389651276 /nfs/dbraw/zinc/65/12/76/389651276.db2.gz ZYYJYVYTXUMDDU-GFCCVEGCSA-N 2 2 293.802 0.981 20 0 CCADLP COc1cc(C[N@H+](C)C[C@@H](O)C[NH3+])cc2c1OCO2 ZINC000415048018 389654640 /nfs/dbraw/zinc/65/46/40/389654640.db2.gz BQSGDCFZIYTFRN-JTQLQIEISA-N 2 2 268.313 0.175 20 0 CCADLP COc1cc(C[N@@H+](C)C[C@@H](O)C[NH3+])cc2c1OCO2 ZINC000415048018 389654645 /nfs/dbraw/zinc/65/46/45/389654645.db2.gz BQSGDCFZIYTFRN-JTQLQIEISA-N 2 2 268.313 0.175 20 0 CCADLP CC(C)N(C)c1ccc(C[N@H+](C)C[C@H](O)C[NH3+])cn1 ZINC000415071374 389655376 /nfs/dbraw/zinc/65/53/76/389655376.db2.gz SUTCOSGNSNTRBR-CYBMUJFWSA-N 2 2 266.389 0.678 20 0 CCADLP CC(C)N(C)c1ccc(C[N@@H+](C)C[C@H](O)C[NH3+])cn1 ZINC000415071374 389655379 /nfs/dbraw/zinc/65/53/79/389655379.db2.gz SUTCOSGNSNTRBR-CYBMUJFWSA-N 2 2 266.389 0.678 20 0 CCADLP COc1cc(C[NH2+]C[C@H]2C[NH2+]CCO2)cc(OC)c1 ZINC000415095687 389658801 /nfs/dbraw/zinc/65/88/01/389658801.db2.gz NOPCZWRPSDXZJF-CQSZACIVSA-N 2 2 266.341 0.782 20 0 CCADLP Cc1cccn2c(CN(C)[C@H]3C[NH2+]C[C@@H]3O)c[nH+]c12 ZINC000415100543 389659482 /nfs/dbraw/zinc/65/94/82/389659482.db2.gz MTEZHLMPSKAJBC-STQMWFEESA-N 2 2 260.341 0.407 20 0 CCADLP C[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415131644 389662809 /nfs/dbraw/zinc/66/28/09/389662809.db2.gz AWHZGTKAWDVWGV-NSHDSACASA-N 2 2 290.367 0.246 20 0 CCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415131644 389662812 /nfs/dbraw/zinc/66/28/12/389662812.db2.gz AWHZGTKAWDVWGV-NSHDSACASA-N 2 2 290.367 0.246 20 0 CCADLP COCC[NH2+]CCNC(=O)Nc1cc[nH+]cc1C ZINC000415391646 389680840 /nfs/dbraw/zinc/68/08/40/389680840.db2.gz WNXKNZFZWWCSIB-UHFFFAOYSA-N 2 2 252.318 0.169 20 0 CCADLP COC1(C[NH2+][C@H](C)CC[NH+]2CCOCC2)CCOCC1 ZINC000428862740 389724400 /nfs/dbraw/zinc/72/44/00/389724400.db2.gz OTKRGALELPSDSL-CQSZACIVSA-N 2 2 286.416 0.882 20 0 CCADLP Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)on1 ZINC000351858502 389700706 /nfs/dbraw/zinc/70/07/06/389700706.db2.gz ZIMPDUYNHAVRHC-OUAUKWLOSA-N 2 2 266.345 0.979 20 0 CCADLP Cc1cc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)on1 ZINC000351858502 389700709 /nfs/dbraw/zinc/70/07/09/389700709.db2.gz ZIMPDUYNHAVRHC-OUAUKWLOSA-N 2 2 266.345 0.979 20 0 CCADLP C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCOCC1 ZINC000429634076 389762985 /nfs/dbraw/zinc/76/29/85/389762985.db2.gz JZNGZFVKOKLZAT-XQQFMLRXSA-N 2 2 267.373 0.060 20 0 CCADLP CCN1C[C@H]([NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1=O ZINC000391606486 389772989 /nfs/dbraw/zinc/77/29/89/389772989.db2.gz LUDORJPRAUUAQZ-SDDRHHMPSA-N 2 2 251.374 0.822 20 0 CCADLP CCN1C[C@H]([NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1=O ZINC000391606486 389772992 /nfs/dbraw/zinc/77/29/92/389772992.db2.gz LUDORJPRAUUAQZ-SDDRHHMPSA-N 2 2 251.374 0.822 20 0 CCADLP C[NH2+][C@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000416830354 389774666 /nfs/dbraw/zinc/77/46/66/389774666.db2.gz RPZFQFFGEFTZQJ-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP CC(C)(CNC(=O)N1CC[NH2+]C(C)(C)C1)[NH+]1CCOCC1 ZINC000416831234 389774687 /nfs/dbraw/zinc/77/46/87/389774687.db2.gz SMAWILMUYPLSCS-UHFFFAOYSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH2+][C@@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000416830353 389774837 /nfs/dbraw/zinc/77/48/37/389774837.db2.gz RPZFQFFGEFTZQJ-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP [NH3+]C[C@H](NC(=O)NCCn1cc[nH+]c1)C1CCCC1 ZINC000416858210 389776429 /nfs/dbraw/zinc/77/64/29/389776429.db2.gz SRQHGROUYHWLJI-LBPRGKRZSA-N 2 2 265.361 0.700 20 0 CCADLP CCC[NH2+]CCNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000417005531 389788507 /nfs/dbraw/zinc/78/85/07/389788507.db2.gz DMQAEJOLWDFOBA-UHFFFAOYSA-N 2 2 279.388 0.946 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000417023258 389790161 /nfs/dbraw/zinc/79/01/61/389790161.db2.gz VVXPYLNZFVEHPW-GFCCVEGCSA-N 2 2 277.372 0.780 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)NCC(F)(F)C[NH3+] ZINC000417016131 389790448 /nfs/dbraw/zinc/79/04/48/389790448.db2.gz NQULSCWFJVFSKT-UHFFFAOYSA-N 2 2 287.314 0.541 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCCCNc1cccc[nH+]1 ZINC000417082118 389795213 /nfs/dbraw/zinc/79/52/13/389795213.db2.gz RCUJKFXPITWORQ-GHMZBOCLSA-N 2 2 265.361 0.919 20 0 CCADLP [NH3+]C1(CNC(=O)NCC[NH+]2CCOCC2)CCCCCC1 ZINC000416431244 389742154 /nfs/dbraw/zinc/74/21/54/389742154.db2.gz GZNSAXYKYQKQGT-UHFFFAOYSA-N 2 2 298.431 0.670 20 0 CCADLP C[NH+](C)CCNC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000377315905 389747427 /nfs/dbraw/zinc/74/74/27/389747427.db2.gz JZBXBPKBKIAMOO-UHFFFAOYSA-N 2 2 265.361 0.580 20 0 CCADLP CC1(C)NC(=O)N(CCC[N@@H+]2CCC[C@H]2C[NH3+])C1=O ZINC000430547616 389806519 /nfs/dbraw/zinc/80/65/19/389806519.db2.gz UWPQIAAYDMOKIL-JTQLQIEISA-N 2 2 268.361 0.130 20 0 CCADLP C[NH2+]CCNC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000417263031 389806500 /nfs/dbraw/zinc/80/65/00/389806500.db2.gz KCFVZQRZWPXNJP-UHFFFAOYSA-N 2 2 273.340 0.891 20 0 CCADLP CC1(C)NC(=O)N(CCC[N@H+]2CCC[C@H]2C[NH3+])C1=O ZINC000430547616 389806522 /nfs/dbraw/zinc/80/65/22/389806522.db2.gz UWPQIAAYDMOKIL-JTQLQIEISA-N 2 2 268.361 0.130 20 0 CCADLP COc1coc(C[NH2+][C@](C)(C[NH3+])C2CC2)cc1=O ZINC000430578289 389809275 /nfs/dbraw/zinc/80/92/75/389809275.db2.gz WKPCOPNMBAFUJT-CYBMUJFWSA-N 2 2 252.314 0.865 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)C2CC[NH2+]CC2)CC1 ZINC000430597064 389811270 /nfs/dbraw/zinc/81/12/70/389811270.db2.gz YLLXAYZJXHFGGE-UHFFFAOYSA-N 3 2 282.432 0.271 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)C2CC[NH2+]CC2)CC1 ZINC000430597064 389811271 /nfs/dbraw/zinc/81/12/71/389811271.db2.gz YLLXAYZJXHFGGE-UHFFFAOYSA-N 3 2 282.432 0.271 20 0 CCADLP C[NH2+][C@H]1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000417429461 389815660 /nfs/dbraw/zinc/81/56/60/389815660.db2.gz VJXXWKSOCWHSLG-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP C[NH2+][C@H]1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000417429461 389815663 /nfs/dbraw/zinc/81/56/63/389815663.db2.gz VJXXWKSOCWHSLG-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP Cc1cc(NC(=O)C[N@H+](C)C2CC[NH2+]CC2)n(C)n1 ZINC000430643219 389816005 /nfs/dbraw/zinc/81/60/05/389816005.db2.gz QQXDWLDEFLQEQF-UHFFFAOYSA-N 2 2 265.361 0.351 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+](C)C2CC[NH2+]CC2)n(C)n1 ZINC000430643219 389816007 /nfs/dbraw/zinc/81/60/07/389816007.db2.gz QQXDWLDEFLQEQF-UHFFFAOYSA-N 2 2 265.361 0.351 20 0 CCADLP CSCC[C@H]([NH2+]C1CC[NH+](C)CC1)C(=O)N(C)C ZINC000352475465 389816968 /nfs/dbraw/zinc/81/69/68/389816968.db2.gz CJOFXSYQUOBLNI-LBPRGKRZSA-N 2 2 273.446 0.880 20 0 CCADLP O=C(COC1C[NH2+]C1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000430696326 389818059 /nfs/dbraw/zinc/81/80/59/389818059.db2.gz BFYCHOHOWRHLHE-UHFFFAOYSA-N 2 2 290.367 0.155 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000417499578 389821699 /nfs/dbraw/zinc/82/16/99/389821699.db2.gz FKZAUVBJNQPEAF-MCIONIFRSA-N 2 2 298.431 0.524 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000417499578 389821702 /nfs/dbraw/zinc/82/17/02/389821702.db2.gz FKZAUVBJNQPEAF-MCIONIFRSA-N 2 2 298.431 0.524 20 0 CCADLP C[C@H](CC[NH3+])NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000417515394 389824277 /nfs/dbraw/zinc/82/42/77/389824277.db2.gz CXPODCUWTJNQJB-UTUOFQBUSA-N 2 2 272.393 0.132 20 0 CCADLP C[C@@H]1CCN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C[C@H]1C[NH3+] ZINC000417517458 389824784 /nfs/dbraw/zinc/82/47/84/389824784.db2.gz QGUMXARLTMGJBL-HZSPNIEDSA-N 2 2 298.431 0.333 20 0 CCADLP C[C@@H]1CCN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)C[C@H]1C[NH3+] ZINC000417517458 389824787 /nfs/dbraw/zinc/82/47/87/389824787.db2.gz QGUMXARLTMGJBL-HZSPNIEDSA-N 2 2 298.431 0.333 20 0 CCADLP CC(C)C[C@@H](C[NH3+])NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000417529612 389827276 /nfs/dbraw/zinc/82/72/76/389827276.db2.gz QYOXXKXNPKYFFN-STQMWFEESA-N 2 2 286.420 0.380 20 0 CCADLP CC(C)C[C@@H](C[NH3+])NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000417529612 389827279 /nfs/dbraw/zinc/82/72/79/389827279.db2.gz QYOXXKXNPKYFFN-STQMWFEESA-N 2 2 286.420 0.380 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NCc2cccnc2)C1 ZINC000430929408 389836017 /nfs/dbraw/zinc/83/60/17/389836017.db2.gz WKVGCDZBSBECBH-CYBMUJFWSA-N 2 2 262.357 0.239 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NCc2cccnc2)C1 ZINC000430929408 389836019 /nfs/dbraw/zinc/83/60/19/389836019.db2.gz WKVGCDZBSBECBH-CYBMUJFWSA-N 2 2 262.357 0.239 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC000430934030 389836848 /nfs/dbraw/zinc/83/68/48/389836848.db2.gz NCSKIGAVZTVRPA-MNOVXSKESA-N 2 2 270.377 0.150 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC000430934030 389836850 /nfs/dbraw/zinc/83/68/50/389836850.db2.gz NCSKIGAVZTVRPA-MNOVXSKESA-N 2 2 270.377 0.150 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430960468 389841392 /nfs/dbraw/zinc/84/13/92/389841392.db2.gz JKIBNSMNSRXRAD-KKZNHRDASA-N 2 2 268.361 0.032 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430960468 389841393 /nfs/dbraw/zinc/84/13/93/389841393.db2.gz JKIBNSMNSRXRAD-KKZNHRDASA-N 2 2 268.361 0.032 20 0 CCADLP O=C([C@@H]1COCC[NH2+]1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000431032509 389846523 /nfs/dbraw/zinc/84/65/23/389846523.db2.gz JVUYMJPGXQPIBI-NSHDSACASA-N 2 2 264.329 0.104 20 0 CCADLP CC(C)[C@](C)(O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000353285934 389849075 /nfs/dbraw/zinc/84/90/75/389849075.db2.gz BQCSBCIIWGNHOI-INIZCTEOSA-N 2 2 299.459 0.878 20 0 CCADLP CC(C)[C@](C)(O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000353285934 389849078 /nfs/dbraw/zinc/84/90/78/389849078.db2.gz BQCSBCIIWGNHOI-INIZCTEOSA-N 2 2 299.459 0.878 20 0 CCADLP C[C@H]([NH3+])CN1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000442658445 389853461 /nfs/dbraw/zinc/85/34/61/389853461.db2.gz JBALNHGJTQCUDQ-AWEZNQCLSA-N 2 2 290.411 0.268 20 0 CCADLP C[C@@H]([NH3+])C[N@H+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000442664152 389854365 /nfs/dbraw/zinc/85/43/65/389854365.db2.gz VSTJOHKIGLIEHA-NXEZZACHSA-N 2 2 271.386 0.674 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000442664152 389854366 /nfs/dbraw/zinc/85/43/66/389854366.db2.gz VSTJOHKIGLIEHA-NXEZZACHSA-N 2 2 271.386 0.674 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000442667208 389854712 /nfs/dbraw/zinc/85/47/12/389854712.db2.gz YPNIEEYMGTUASJ-QWRGUYRKSA-N 2 2 263.407 0.127 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000442667208 389854714 /nfs/dbraw/zinc/85/47/14/389854714.db2.gz YPNIEEYMGTUASJ-QWRGUYRKSA-N 2 2 263.407 0.127 20 0 CCADLP C[C@H]1C[N@H+](C)CCN1c1cc[nH+]c(N2CCOCC2)n1 ZINC000443445584 389879624 /nfs/dbraw/zinc/87/96/24/389879624.db2.gz NBIHCZYDHJMAHF-LBPRGKRZSA-N 2 2 277.372 0.454 20 0 CCADLP C[C@H]1C[N@@H+](C)CCN1c1cc[nH+]c(N2CCOCC2)n1 ZINC000443445584 389879625 /nfs/dbraw/zinc/87/96/25/389879625.db2.gz NBIHCZYDHJMAHF-LBPRGKRZSA-N 2 2 277.372 0.454 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@H]2C[C@]23CC[NH2+]C3)c[nH+]1 ZINC000444182038 389895557 /nfs/dbraw/zinc/89/55/57/389895557.db2.gz KZYAZGAUMVWGCJ-DOMZBBRYSA-N 2 2 274.368 0.763 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433141230 389900868 /nfs/dbraw/zinc/90/08/68/389900868.db2.gz NASYIJCRJREPNS-ZDUSSCGKSA-N 3 2 293.415 0.591 20 0 CCADLP CC[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)[C@@H](O)C(F)F ZINC000419707422 389907279 /nfs/dbraw/zinc/90/72/79/389907279.db2.gz FPFRVMHINFZLEA-NXEZZACHSA-N 2 2 276.331 0.980 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000433324884 389908860 /nfs/dbraw/zinc/90/88/60/389908860.db2.gz GFICKRZZMZXTAV-AWEZNQCLSA-N 2 2 276.340 0.826 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000433324884 389908861 /nfs/dbraw/zinc/90/88/61/389908861.db2.gz GFICKRZZMZXTAV-AWEZNQCLSA-N 2 2 276.340 0.826 20 0 CCADLP C[N@H+](CCO[C@H]1CCCCO1)C1CC[NH+](CCO)CC1 ZINC000444626079 389910811 /nfs/dbraw/zinc/91/08/11/389910811.db2.gz LZIXACPNDBVZFY-HNNXBMFYSA-N 2 2 286.416 0.918 20 0 CCADLP C[N@@H+](CCO[C@H]1CCCCO1)C1CC[NH+](CCO)CC1 ZINC000444626079 389910815 /nfs/dbraw/zinc/91/08/15/389910815.db2.gz LZIXACPNDBVZFY-HNNXBMFYSA-N 2 2 286.416 0.918 20 0 CCADLP C[C@@H](C[N@H+](C)[C@@H]1CCC[NH2+]CC1)CS(C)(=O)=O ZINC000435622687 389959386 /nfs/dbraw/zinc/95/93/86/389959386.db2.gz FLHVNAQUTXBRRT-NWDGAFQWSA-N 2 2 262.419 0.741 20 0 CCADLP C[C@@H](C[N@@H+](C)[C@@H]1CCC[NH2+]CC1)CS(C)(=O)=O ZINC000435622687 389959387 /nfs/dbraw/zinc/95/93/87/389959387.db2.gz FLHVNAQUTXBRRT-NWDGAFQWSA-N 2 2 262.419 0.741 20 0 CCADLP C[NH2+]CCC[N@@H+]1CCCN(c2nc(C)ns2)CC1 ZINC000435879249 389965058 /nfs/dbraw/zinc/96/50/58/389965058.db2.gz IZFQUFJYPXIPET-UHFFFAOYSA-N 2 2 269.418 0.968 20 0 CCADLP C[NH2+]CCC[N@H+]1CCCN(c2nc(C)ns2)CC1 ZINC000435879249 389965060 /nfs/dbraw/zinc/96/50/60/389965060.db2.gz IZFQUFJYPXIPET-UHFFFAOYSA-N 2 2 269.418 0.968 20 0 CCADLP CC(C)c1nc(N2CC[NH2+]C[C@H]2C)nc(N(C)C)[nH+]1 ZINC000420219596 389967364 /nfs/dbraw/zinc/96/73/64/389967364.db2.gz RAWGWYQZMGTXAA-SNVBAGLBSA-N 2 2 264.377 0.859 20 0 CCADLP Cc1noc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])n1 ZINC000436061287 389970109 /nfs/dbraw/zinc/97/01/09/389970109.db2.gz TXFJKRHBMYSRBE-LLVKDONJSA-N 2 2 281.360 0.198 20 0 CCADLP Cc1noc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])n1 ZINC000436061287 389970112 /nfs/dbraw/zinc/97/01/12/389970112.db2.gz TXFJKRHBMYSRBE-LLVKDONJSA-N 2 2 281.360 0.198 20 0 CCADLP Cc1nc2[nH]ccc2c(NC[C@H](O)C[NH+]2CCCCC2)[nH+]1 ZINC000433781081 389919273 /nfs/dbraw/zinc/91/92/73/389919273.db2.gz CRHZWCDAFPDVIA-LBPRGKRZSA-N 2 2 289.383 0.947 20 0 CCADLP CC[NH+]1CCC([N@@H+]2CCCN(CC(=O)N(C)C)CC2)CC1 ZINC000445515177 389923640 /nfs/dbraw/zinc/92/36/40/389923640.db2.gz LHAZIFJVVQKUKZ-UHFFFAOYSA-N 2 2 296.459 0.567 20 0 CCADLP CC[NH+]1CCC([N@H+]2CCCN(CC(=O)N(C)C)CC2)CC1 ZINC000445515177 389923641 /nfs/dbraw/zinc/92/36/41/389923641.db2.gz LHAZIFJVVQKUKZ-UHFFFAOYSA-N 2 2 296.459 0.567 20 0 CCADLP C[C@H]([NH3+])[C@H](C)Nc1cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]cn1 ZINC000420258245 389974304 /nfs/dbraw/zinc/97/43/04/389974304.db2.gz FWKWANNLRDQHMP-FIQHERPVSA-N 2 2 279.388 0.831 20 0 CCADLP C[C@@H]1CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H]1C[NH3+] ZINC000420283592 389977799 /nfs/dbraw/zinc/97/77/99/389977799.db2.gz CGBBVCYMTWOOTR-KGLIPLIRSA-N 3 2 282.432 0.210 20 0 CCADLP C[C@@H]1CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H]1C[NH3+] ZINC000420283592 389977803 /nfs/dbraw/zinc/97/78/03/389977803.db2.gz CGBBVCYMTWOOTR-KGLIPLIRSA-N 3 2 282.432 0.210 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000420304936 389980940 /nfs/dbraw/zinc/98/09/40/389980940.db2.gz JNMCBGBLZGNLPR-YESZJQIVSA-N 3 2 289.423 0.603 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000420304936 389980942 /nfs/dbraw/zinc/98/09/42/389980942.db2.gz JNMCBGBLZGNLPR-YESZJQIVSA-N 3 2 289.423 0.603 20 0 CCADLP O=C1[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCCN1CC(F)(F)F ZINC000420318686 389982984 /nfs/dbraw/zinc/98/29/84/389982984.db2.gz WKPDYLRSRFLFFX-AXFHLTTASA-N 2 2 291.317 0.691 20 0 CCADLP O=C1[C@@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCCN1CC(F)(F)F ZINC000420318686 389982985 /nfs/dbraw/zinc/98/29/85/389982985.db2.gz WKPDYLRSRFLFFX-AXFHLTTASA-N 2 2 291.317 0.691 20 0 CCADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000420323769 389983503 /nfs/dbraw/zinc/98/35/03/389983503.db2.gz BLIBRVNTIWKUKV-BPCQOVAHSA-N 2 2 297.399 0.352 20 0 CCADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000420323769 389983504 /nfs/dbraw/zinc/98/35/04/389983504.db2.gz BLIBRVNTIWKUKV-BPCQOVAHSA-N 2 2 297.399 0.352 20 0 CCADLP C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CC([NH3+])C1 ZINC000420331861 389984694 /nfs/dbraw/zinc/98/46/94/389984694.db2.gz MNMLRKUZKNDCLP-WUCCLRPBSA-N 3 2 263.385 0.339 20 0 CCADLP C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CC([NH3+])C1 ZINC000420331861 389984697 /nfs/dbraw/zinc/98/46/97/389984697.db2.gz MNMLRKUZKNDCLP-WUCCLRPBSA-N 3 2 263.385 0.339 20 0 CCADLP C[N@H+](CC(=O)N1CCO[C@H]2CCCC[C@@H]21)C1CC([NH3+])C1 ZINC000420340820 389986158 /nfs/dbraw/zinc/98/61/58/389986158.db2.gz UPETVWNGJXLVCG-HOAMVYINSA-N 2 2 281.400 0.578 20 0 CCADLP C[N@@H+](CC(=O)N1CCO[C@H]2CCCC[C@@H]21)C1CC([NH3+])C1 ZINC000420340820 389986162 /nfs/dbraw/zinc/98/61/62/389986162.db2.gz UPETVWNGJXLVCG-HOAMVYINSA-N 2 2 281.400 0.578 20 0 CCADLP Cc1cccc2[nH+]c(CN(C)[C@H]3C[NH2+]C[C@@H]3O)cn21 ZINC000420346792 389987187 /nfs/dbraw/zinc/98/71/87/389987187.db2.gz DPYIGYXPSQYUAV-STQMWFEESA-N 2 2 260.341 0.407 20 0 CCADLP C[C@H](C(=O)NCC1CCCCC1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420350232 389988543 /nfs/dbraw/zinc/98/85/43/389988543.db2.gz GCNKGQPJNSBTQR-DGCLKSJQSA-N 2 2 271.405 0.323 20 0 CCADLP C[C@H](C(=O)NCC1CCCCC1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420350232 389988545 /nfs/dbraw/zinc/98/85/45/389988545.db2.gz GCNKGQPJNSBTQR-DGCLKSJQSA-N 2 2 271.405 0.323 20 0 CCADLP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420351820 389989128 /nfs/dbraw/zinc/98/91/28/389989128.db2.gz LBUFPGNMPKYKFI-BFHYXJOUSA-N 2 2 293.411 0.812 20 0 CCADLP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420351820 389989131 /nfs/dbraw/zinc/98/91/31/389989131.db2.gz LBUFPGNMPKYKFI-BFHYXJOUSA-N 2 2 293.411 0.812 20 0 CCADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420351199 389989264 /nfs/dbraw/zinc/98/92/64/389989264.db2.gz JIXOIKHVXLVBHS-FZMZJTMJSA-N 2 2 297.374 0.424 20 0 CCADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420351199 389989267 /nfs/dbraw/zinc/98/92/67/389989267.db2.gz JIXOIKHVXLVBHS-FZMZJTMJSA-N 2 2 297.374 0.424 20 0 CCADLP CC[C@H](C(=O)NC[C@@H](C)[NH+](C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000448678052 389990992 /nfs/dbraw/zinc/99/09/92/389990992.db2.gz RFSVTIPDKCAVGZ-MGPQQGTHSA-N 2 2 285.432 0.942 20 0 CCADLP CC[C@H](C(=O)NC[C@@H](C)[NH+](C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000448678052 389990995 /nfs/dbraw/zinc/99/09/95/389990995.db2.gz RFSVTIPDKCAVGZ-MGPQQGTHSA-N 2 2 285.432 0.942 20 0 CCADLP C[C@@H]1CSC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000449119605 389992445 /nfs/dbraw/zinc/99/24/45/389992445.db2.gz AGFMUHQLFWOWNM-UTUOFQBUSA-N 2 2 271.430 0.667 20 0 CCADLP C[C@@H]1CSC[C@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000449119605 389992447 /nfs/dbraw/zinc/99/24/47/389992447.db2.gz AGFMUHQLFWOWNM-UTUOFQBUSA-N 2 2 271.430 0.667 20 0 CCADLP COC[C@](C)(O)CC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000449384727 389993610 /nfs/dbraw/zinc/99/36/10/389993610.db2.gz OEQGGNCNMIUIPR-KWCYVHTRSA-N 2 2 256.390 0.846 20 0 CCADLP COC[C@](C)(O)CC[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000449384727 389993612 /nfs/dbraw/zinc/99/36/12/389993612.db2.gz OEQGGNCNMIUIPR-KWCYVHTRSA-N 2 2 256.390 0.846 20 0 CCADLP COC[C@](C)(O)CC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000449384653 389993711 /nfs/dbraw/zinc/99/37/11/389993711.db2.gz NZIMRVAVJTWWFC-SGMGOOAPSA-N 2 2 256.390 0.989 20 0 CCADLP COC[C@](C)(O)CC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000449384653 389993712 /nfs/dbraw/zinc/99/37/12/389993712.db2.gz NZIMRVAVJTWWFC-SGMGOOAPSA-N 2 2 256.390 0.989 20 0 CCADLP CCOC(=O)C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420380887 389994958 /nfs/dbraw/zinc/99/49/58/389994958.db2.gz OOUCSQNUTXSUJO-GXTWGEPZSA-N 2 2 270.373 0.768 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](CCC[NH+]2CCCCC2)CCCO1 ZINC000420390484 389996215 /nfs/dbraw/zinc/99/62/15/389996215.db2.gz NPUITFYXTLVSPK-AWEZNQCLSA-N 3 2 255.406 0.912 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CCC[NH+]2CCCCC2)CCCO1 ZINC000420390484 389996217 /nfs/dbraw/zinc/99/62/17/389996217.db2.gz NPUITFYXTLVSPK-AWEZNQCLSA-N 3 2 255.406 0.912 20 0 CCADLP [NH3+][C@@H]1CN(CC[NH+]2CCOCC2)C[C@H]1c1cccc(F)c1 ZINC000420398853 389996696 /nfs/dbraw/zinc/99/66/96/389996696.db2.gz ZFVKXWUIAOETAV-JKSUJKDBSA-N 2 2 293.386 0.884 20 0 CCADLP C[C@@H](CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+](C)C ZINC000459060656 390068823 /nfs/dbraw/zinc/06/88/23/390068823.db2.gz OLNKKZVVABTRBF-RWMBFGLXSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H](CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+](C)C ZINC000459060656 390068824 /nfs/dbraw/zinc/06/88/24/390068824.db2.gz OLNKKZVVABTRBF-RWMBFGLXSA-N 2 2 284.404 0.099 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)CC2CC[NH+](C)CC2)CCO1 ZINC000487501368 390087797 /nfs/dbraw/zinc/08/77/97/390087797.db2.gz KJHNVXUKVWBXPG-OAHLLOKOSA-N 2 2 297.443 0.945 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[C@H]2OCC[NH+](C)[C@@H]2C1 ZINC000488364222 390093155 /nfs/dbraw/zinc/09/31/55/390093155.db2.gz HDMSMTGZHQJQAD-XJFOESAGSA-N 2 2 281.400 0.116 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[C@H]2OCC[NH+](C)[C@@H]2C1 ZINC000488364222 390093156 /nfs/dbraw/zinc/09/31/56/390093156.db2.gz HDMSMTGZHQJQAD-XJFOESAGSA-N 2 2 281.400 0.116 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000488364222 390093157 /nfs/dbraw/zinc/09/31/57/390093157.db2.gz HDMSMTGZHQJQAD-XJFOESAGSA-N 2 2 281.400 0.116 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000488364222 390093158 /nfs/dbraw/zinc/09/31/58/390093158.db2.gz HDMSMTGZHQJQAD-XJFOESAGSA-N 2 2 281.400 0.116 20 0 CCADLP C[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@H]1CC1(C)C ZINC000489418110 390100128 /nfs/dbraw/zinc/10/01/28/390100128.db2.gz ZBXBLZVYHPWHBK-ZDUSSCGKSA-N 2 2 297.443 0.944 20 0 CCADLP C[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@H]1CC1(C)C ZINC000489418110 390100129 /nfs/dbraw/zinc/10/01/29/390100129.db2.gz ZBXBLZVYHPWHBK-ZDUSSCGKSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H](CNC(=O)NCCc1cn(C)c[nH+]1)C[NH+]1CCCC1 ZINC000457878197 390051002 /nfs/dbraw/zinc/05/10/02/390051002.db2.gz IFJTWEUTAQRSNF-ZDUSSCGKSA-N 2 2 293.415 0.994 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)NCC[N@@H+]1CCCOCC1 ZINC000491961499 390117854 /nfs/dbraw/zinc/11/78/54/390117854.db2.gz JMMNUHPSMJBNFV-PLNGDYQASA-N 2 2 292.383 0.755 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)NCC[N@H+]1CCCOCC1 ZINC000491961499 390117855 /nfs/dbraw/zinc/11/78/55/390117855.db2.gz JMMNUHPSMJBNFV-PLNGDYQASA-N 2 2 292.383 0.755 20 0 CCADLP CC(C)c1nnc(C[N@H+](C)CCN2CC[NH2+]CC2)n1C ZINC000647836192 390187113 /nfs/dbraw/zinc/18/71/13/390187113.db2.gz LBYFZLLTXGKTGZ-UHFFFAOYSA-N 2 2 280.420 0.276 20 0 CCADLP CC(C)c1nnc(C[N@@H+](C)CCN2CC[NH2+]CC2)n1C ZINC000647836192 390187116 /nfs/dbraw/zinc/18/71/16/390187116.db2.gz LBYFZLLTXGKTGZ-UHFFFAOYSA-N 2 2 280.420 0.276 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)NCC(F)(F)C[NH3+] ZINC000493329357 390123479 /nfs/dbraw/zinc/12/34/79/390123479.db2.gz WQPHQWSADODXRJ-ONEGZZNKSA-N 2 2 258.272 0.626 20 0 CCADLP O=C(/C=C/c1[nH]cc[nH+]1)NCC[NH+]1CCSCC1 ZINC000493459044 390126069 /nfs/dbraw/zinc/12/60/69/390126069.db2.gz TVNGUGDYBIBJEX-OWOJBTEDSA-N 2 2 266.370 0.588 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000493812693 390127804 /nfs/dbraw/zinc/12/78/04/390127804.db2.gz CFSPWRSHJLGSFL-WWKJKZQJSA-N 2 2 292.383 0.881 20 0 CCADLP C[NH+](C)C(C)(C)CNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000579590418 390188223 /nfs/dbraw/zinc/18/82/23/390188223.db2.gz GVMOZGWZSYTZFT-VIFPVBQESA-N 2 2 256.375 0.599 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534579610 390129721 /nfs/dbraw/zinc/12/97/21/390129721.db2.gz XTPANUBTEMPRCI-UWVGGRQHSA-N 2 2 279.344 0.054 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534579610 390129723 /nfs/dbraw/zinc/12/97/23/390129723.db2.gz XTPANUBTEMPRCI-UWVGGRQHSA-N 2 2 279.344 0.054 20 0 CCADLP CC1(C)C[NH2+]CCN1C(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000647841301 390188232 /nfs/dbraw/zinc/18/82/32/390188232.db2.gz IDYYFZKUSOISKK-SNVBAGLBSA-N 2 2 277.372 0.311 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000534579423 390130089 /nfs/dbraw/zinc/13/00/89/390130089.db2.gz PDMCTTCYTADVDI-GFCCVEGCSA-N 2 2 278.356 0.068 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000534579423 390130091 /nfs/dbraw/zinc/13/00/91/390130091.db2.gz PDMCTTCYTADVDI-GFCCVEGCSA-N 2 2 278.356 0.068 20 0 CCADLP CC[C@@H]1C[N@H+](C[C@](C)(O)C[NH2+]C)CCN1CC(F)F ZINC000579248098 390157631 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[NH3+]CCOCC[NH+]1CCN(C(=O)N2CCCCC2)CC1 ZINC000647874245 390202678 /nfs/dbraw/zinc/20/26/78/390202678.db2.gz KDLIPNVBUDNYQO-UHFFFAOYSA-N 2 2 284.404 0.185 20 0 CCADLP C[N@@H+]1CC[C@@H]2CCN(c3nc[nH+]c4c3OCCN4)[C@@H]2C1 ZINC000647876784 390203547 /nfs/dbraw/zinc/20/35/47/390203547.db2.gz ZUOFZSVTJAAIGW-GHMZBOCLSA-N 2 2 275.356 0.811 20 0 CCADLP C[N@H+]1CC[C@@H]2CCN(c3nc[nH+]c4c3OCCN4)[C@@H]2C1 ZINC000647876784 390203548 /nfs/dbraw/zinc/20/35/48/390203548.db2.gz ZUOFZSVTJAAIGW-GHMZBOCLSA-N 2 2 275.356 0.811 20 0 CCADLP Cc1nc(N(C)CCC[NH+](C)C)nc(N(C)C)[nH+]1 ZINC000539393986 390206433 /nfs/dbraw/zinc/20/64/33/390206433.db2.gz DAVGOZJKOKCNCB-UHFFFAOYSA-N 2 2 252.366 0.634 20 0 CCADLP Cc1nc(N(C)C)nc(N(C)CCC[NH+](C)C)[nH+]1 ZINC000539393986 390206435 /nfs/dbraw/zinc/20/64/35/390206435.db2.gz DAVGOZJKOKCNCB-UHFFFAOYSA-N 2 2 252.366 0.634 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@@H]1C ZINC000495063060 390214645 /nfs/dbraw/zinc/21/46/45/390214645.db2.gz XFBAYHTYNWIDIG-TUVASFSCSA-N 2 2 295.427 0.554 20 0 CCADLP COc1coc(C[NH+]2CCC(C)([NH3+])CC2)cc1=O ZINC000647924765 390219324 /nfs/dbraw/zinc/21/93/24/390219324.db2.gz IJUBNPWHIPPSLU-UHFFFAOYSA-N 2 2 252.314 0.962 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)N2CCc3[nH+]c[nH]c3C2)CC1 ZINC000647932886 390220865 /nfs/dbraw/zinc/22/08/65/390220865.db2.gz TZFXESMPGKQTRD-LBPRGKRZSA-N 2 2 291.399 0.320 20 0 CCADLP CC[C@H]1C[N@H+](CCCCS(C)(=O)=O)CC[C@@H]1[NH3+] ZINC000647936622 390222784 /nfs/dbraw/zinc/22/27/84/390222784.db2.gz IMMRIMQVHSCJEQ-RYUDHWBXSA-N 2 2 262.419 0.870 20 0 CCADLP CC[C@H]1C[N@@H+](CCCCS(C)(=O)=O)CC[C@@H]1[NH3+] ZINC000647936622 390222786 /nfs/dbraw/zinc/22/27/86/390222786.db2.gz IMMRIMQVHSCJEQ-RYUDHWBXSA-N 2 2 262.419 0.870 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000580150944 390223391 /nfs/dbraw/zinc/22/33/91/390223391.db2.gz YEIBQUJBVXBGSQ-CQSZACIVSA-N 3 2 296.415 0.528 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000580150944 390223394 /nfs/dbraw/zinc/22/33/94/390223394.db2.gz YEIBQUJBVXBGSQ-CQSZACIVSA-N 3 2 296.415 0.528 20 0 CCADLP C[N@H+](CCC[NH3+])CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000647848559 390191869 /nfs/dbraw/zinc/19/18/69/390191869.db2.gz UCHXTFMUQPQPRV-ZDUSSCGKSA-N 2 2 277.368 0.387 20 0 CCADLP C[N@@H+](CCC[NH3+])CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000647848559 390191873 /nfs/dbraw/zinc/19/18/73/390191873.db2.gz UCHXTFMUQPQPRV-ZDUSSCGKSA-N 2 2 277.368 0.387 20 0 CCADLP COc1ccccc1CCNC(=O)C[N@H+](C)CCC[NH3+] ZINC000647849094 390191884 /nfs/dbraw/zinc/19/18/84/390191884.db2.gz HJUGOYWVCQFIBU-UHFFFAOYSA-N 2 2 279.384 0.635 20 0 CCADLP COc1ccccc1CCNC(=O)C[N@@H+](C)CCC[NH3+] ZINC000647849094 390191888 /nfs/dbraw/zinc/19/18/88/390191888.db2.gz HJUGOYWVCQFIBU-UHFFFAOYSA-N 2 2 279.384 0.635 20 0 CCADLP COc1ccccc1CN(C)C(=O)C[N@H+](C)CCC[NH3+] ZINC000647849575 390192580 /nfs/dbraw/zinc/19/25/80/390192580.db2.gz YOEQNKOHYZGRLT-UHFFFAOYSA-N 2 2 279.384 0.934 20 0 CCADLP COc1ccccc1CN(C)C(=O)C[N@@H+](C)CCC[NH3+] ZINC000647849575 390192583 /nfs/dbraw/zinc/19/25/83/390192583.db2.gz YOEQNKOHYZGRLT-UHFFFAOYSA-N 2 2 279.384 0.934 20 0 CCADLP COc1ccc(CNC(=O)C[N@H+](C)CCC[NH3+])cc1 ZINC000647850158 390192869 /nfs/dbraw/zinc/19/28/69/390192869.db2.gz RKXZFDMWDDTKDF-UHFFFAOYSA-N 2 2 265.357 0.592 20 0 CCADLP COc1ccc(CNC(=O)C[N@@H+](C)CCC[NH3+])cc1 ZINC000647850158 390192872 /nfs/dbraw/zinc/19/28/72/390192872.db2.gz RKXZFDMWDDTKDF-UHFFFAOYSA-N 2 2 265.357 0.592 20 0 CCADLP COc1cc(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])ccc1C ZINC000580191896 390227981 /nfs/dbraw/zinc/22/79/81/390227981.db2.gz IYGGMYGSJXWUIJ-CQSZACIVSA-N 2 2 291.395 0.647 20 0 CCADLP COc1cc(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])ccc1C ZINC000580191896 390227983 /nfs/dbraw/zinc/22/79/83/390227983.db2.gz IYGGMYGSJXWUIJ-CQSZACIVSA-N 2 2 291.395 0.647 20 0 CCADLP CCC[N@@H+]1CC[C@H](CNc2nc[nH+]c3c2OCCN3)C1 ZINC000647858914 390195271 /nfs/dbraw/zinc/19/52/71/390195271.db2.gz NJOYGUFZMNNTNT-LLVKDONJSA-N 2 2 277.372 0.847 20 0 CCADLP CCC[N@H+]1CC[C@H](CNc2nc[nH+]c3c2OCCN3)C1 ZINC000647858914 390195273 /nfs/dbraw/zinc/19/52/73/390195273.db2.gz NJOYGUFZMNNTNT-LLVKDONJSA-N 2 2 277.372 0.847 20 0 CCADLP CCC[N@@H+]1CC[C@H](CNc2[nH+]cnc3c2OCCN3)C1 ZINC000647858914 390195275 /nfs/dbraw/zinc/19/52/75/390195275.db2.gz NJOYGUFZMNNTNT-LLVKDONJSA-N 2 2 277.372 0.847 20 0 CCADLP CCC[N@H+]1CC[C@H](CNc2[nH+]cnc3c2OCCN3)C1 ZINC000647858914 390195276 /nfs/dbraw/zinc/19/52/76/390195276.db2.gz NJOYGUFZMNNTNT-LLVKDONJSA-N 2 2 277.372 0.847 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCC[NH+]1CCOCC1 ZINC000579680426 390196778 /nfs/dbraw/zinc/19/67/78/390196778.db2.gz DXUNUXALRZXWPM-CYBMUJFWSA-N 2 2 284.404 0.054 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCC[NH+]1CCOCC1 ZINC000579680426 390196782 /nfs/dbraw/zinc/19/67/82/390196782.db2.gz DXUNUXALRZXWPM-CYBMUJFWSA-N 2 2 284.404 0.054 20 0 CCADLP CC[NH+](CC)CCC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000647967243 390233176 /nfs/dbraw/zinc/23/31/76/390233176.db2.gz CDRSMHXRXZECDZ-HNNXBMFYSA-N 3 2 268.449 0.698 20 0 CCADLP CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C[C@H](C)[NH3+])C1 ZINC000647997629 390244665 /nfs/dbraw/zinc/24/46/65/390244665.db2.gz SZHNDYZSYCXIMM-IONNQARKSA-N 2 2 253.268 0.334 20 0 CCADLP CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](C[C@H](C)[NH3+])C1 ZINC000647997629 390244670 /nfs/dbraw/zinc/24/46/70/390244670.db2.gz SZHNDYZSYCXIMM-IONNQARKSA-N 2 2 253.268 0.334 20 0 CCADLP CN1C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1=O ZINC000644535586 390247738 /nfs/dbraw/zinc/24/77/38/390247738.db2.gz WDNNDIKOWVITSU-HUUCEWRRSA-N 2 2 291.395 0.300 20 0 CCADLP CN1C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1=O ZINC000644535586 390247742 /nfs/dbraw/zinc/24/77/42/390247742.db2.gz WDNNDIKOWVITSU-HUUCEWRRSA-N 2 2 291.395 0.300 20 0 CCADLP C[NH+](C)CC1([NH2+]C[C@H]2CNc3ccnn3C2)CCC1 ZINC000648030901 390253824 /nfs/dbraw/zinc/25/38/24/390253824.db2.gz YHPDBCWGBBLTPW-GFCCVEGCSA-N 2 2 263.389 0.999 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]Cc2cccc(O)c2)C[C@H](C)O1 ZINC000582058395 390254897 /nfs/dbraw/zinc/25/48/97/390254897.db2.gz ZNMWIWTZWPSRJV-ZENOOKHLSA-N 2 2 294.395 0.952 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]Cc2cccc(O)c2)C[C@H](C)O1 ZINC000582058395 390254901 /nfs/dbraw/zinc/25/49/01/390254901.db2.gz ZNMWIWTZWPSRJV-ZENOOKHLSA-N 2 2 294.395 0.952 20 0 CCADLP CN1C[C@H](C[NH2+]C(C)(C)C[NH+]2CCCC2)OC1=O ZINC000495870201 390258844 /nfs/dbraw/zinc/25/88/44/390258844.db2.gz UAANYHJKGITPET-NSHDSACASA-N 2 2 255.362 0.901 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc(F)cn1)C1CC1 ZINC000644599660 390263186 /nfs/dbraw/zinc/26/31/86/390263186.db2.gz CUFGGWVMBNEOLA-ZDUSSCGKSA-N 2 2 253.321 0.765 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc(F)cn1)C1CC1 ZINC000644599660 390263191 /nfs/dbraw/zinc/26/31/91/390263191.db2.gz CUFGGWVMBNEOLA-ZDUSSCGKSA-N 2 2 253.321 0.765 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)[C@@H]([NH3+])c1cscn1)C1CC1 ZINC000582240256 390271970 /nfs/dbraw/zinc/27/19/70/390271970.db2.gz ZMLLXWMWBOYQME-MNOVXSKESA-N 2 2 268.386 0.599 20 0 CCADLP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000644641333 390273908 /nfs/dbraw/zinc/27/39/08/390273908.db2.gz SABYDLPEVJUUJY-TZMCWYRMSA-N 2 2 278.400 0.842 20 0 CCADLP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000644641333 390273913 /nfs/dbraw/zinc/27/39/13/390273913.db2.gz SABYDLPEVJUUJY-TZMCWYRMSA-N 2 2 278.400 0.842 20 0 CCADLP CCC(CC)(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(=O)OC ZINC000593909689 390366895 /nfs/dbraw/zinc/36/68/95/390366895.db2.gz KMXLTOXTUSWHDU-JTQLQIEISA-N 2 2 273.377 0.113 20 0 CCADLP Cc1nn2c(C[NH2+]C[C@@]3(O)CC[N@@H+](C)C3)c(C)nc2s1 ZINC000546563471 390350597 /nfs/dbraw/zinc/35/05/97/390350597.db2.gz BSDBWLQOIRGTNR-ZDUSSCGKSA-N 2 2 295.412 0.564 20 0 CCADLP Cc1nn2c(C[NH2+]C[C@@]3(O)CC[N@H+](C)C3)c(C)nc2s1 ZINC000546563471 390350598 /nfs/dbraw/zinc/35/05/98/390350598.db2.gz BSDBWLQOIRGTNR-ZDUSSCGKSA-N 2 2 295.412 0.564 20 0 CCADLP O[C@@H](CNC[C@H]1CCCC[N@@H+]1C1CC1)C[NH+]1CCOCC1 ZINC000584525611 390351739 /nfs/dbraw/zinc/35/17/39/390351739.db2.gz SSSKGSSQCIEHPD-CVEARBPZSA-N 2 2 297.443 0.286 20 0 CCADLP O[C@@H](CNC[C@H]1CCCC[N@H+]1C1CC1)C[NH+]1CCOCC1 ZINC000584525611 390351743 /nfs/dbraw/zinc/35/17/43/390351743.db2.gz SSSKGSSQCIEHPD-CVEARBPZSA-N 2 2 297.443 0.286 20 0 CCADLP CC[C@H](CCO)[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000584529996 390353056 /nfs/dbraw/zinc/35/30/56/390353056.db2.gz IMWOEISXIKNMRG-FQUUOJAGSA-N 2 2 274.405 0.207 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000547864137 390405925 /nfs/dbraw/zinc/40/59/25/390405925.db2.gz HMEHICZUJSAWSQ-CYBMUJFWSA-N 2 2 276.384 0.907 20 0 CCADLP CC[N@H+](CCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000547955481 390410500 /nfs/dbraw/zinc/41/05/00/390410500.db2.gz FLWKXHVUYVXXJT-GFCCVEGCSA-N 2 2 291.399 0.981 20 0 CCADLP CC[N@@H+](CCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000547955481 390410503 /nfs/dbraw/zinc/41/05/03/390410503.db2.gz FLWKXHVUYVXXJT-GFCCVEGCSA-N 2 2 291.399 0.981 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Cc1c[nH+]cn1C ZINC000554611141 390436345 /nfs/dbraw/zinc/43/63/45/390436345.db2.gz CUEGNQNROUMHRW-GFCCVEGCSA-N 2 2 280.372 0.142 20 0 CCADLP CC(C)NC(=O)NCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000645814776 390502137 /nfs/dbraw/zinc/50/21/37/390502137.db2.gz MJJIKXNAIGAQDZ-UHFFFAOYSA-N 2 2 291.399 0.911 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H](n2ccnn2)C1)C1CC1 ZINC000519596631 390514667 /nfs/dbraw/zinc/51/46/67/390514667.db2.gz SBXFZYOEFXDYOD-KGLIPLIRSA-N 2 2 279.388 0.370 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H](n2ccnn2)C1)C1CC1 ZINC000519596631 390514669 /nfs/dbraw/zinc/51/46/69/390514669.db2.gz SBXFZYOEFXDYOD-KGLIPLIRSA-N 2 2 279.388 0.370 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H](n2ccnn2)C1)C1CC1 ZINC000519596631 390514673 /nfs/dbraw/zinc/51/46/73/390514673.db2.gz SBXFZYOEFXDYOD-KGLIPLIRSA-N 2 2 279.388 0.370 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H](n2ccnn2)C1)C1CC1 ZINC000519596631 390514677 /nfs/dbraw/zinc/51/46/77/390514677.db2.gz SBXFZYOEFXDYOD-KGLIPLIRSA-N 2 2 279.388 0.370 20 0 CCADLP C[C@H](N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCC[NH2+]1 ZINC000643452314 390447844 /nfs/dbraw/zinc/44/78/44/390447844.db2.gz FMIHMPGWWGHREN-OFQRWUPVSA-N 3 2 280.460 0.885 20 0 CCADLP C[C@H](N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCC[NH2+]1 ZINC000643452314 390447849 /nfs/dbraw/zinc/44/78/49/390447849.db2.gz FMIHMPGWWGHREN-OFQRWUPVSA-N 3 2 280.460 0.885 20 0 CCADLP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CCC[NH2+]1 ZINC000643452314 390447852 /nfs/dbraw/zinc/44/78/52/390447852.db2.gz FMIHMPGWWGHREN-OFQRWUPVSA-N 3 2 280.460 0.885 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000527973684 285376413 /nfs/dbraw/zinc/37/64/13/285376413.db2.gz SEXFJBNFCFXYNW-NSHDSACASA-N 2 2 266.345 0.028 20 0 CCADLP CO[C@H]1C[C@@H](CN(C)CC[N@@H+]2CCOC[C@@H]2C)[NH+](C)C1 ZINC000497518734 390456901 /nfs/dbraw/zinc/45/69/01/390456901.db2.gz KBQWFJUFTIULOU-KKUMJFAQSA-N 2 2 285.432 0.358 20 0 CCADLP CO[C@H]1C[C@@H](CN(C)CC[N@H+]2CCOC[C@@H]2C)[NH+](C)C1 ZINC000497518734 390456906 /nfs/dbraw/zinc/45/69/06/390456906.db2.gz KBQWFJUFTIULOU-KKUMJFAQSA-N 2 2 285.432 0.358 20 0 CCADLP CO[C@H]1C[C@@H](CN(C)CC[NH+]2CCOC[C@@H]2C)[N@H+](C)C1 ZINC000497518734 390456908 /nfs/dbraw/zinc/45/69/08/390456908.db2.gz KBQWFJUFTIULOU-KKUMJFAQSA-N 2 2 285.432 0.358 20 0 CCADLP CO[C@H]1C[C@@H](CN(C)CC[NH+]2CCOC[C@@H]2C)[N@@H+](C)C1 ZINC000497518734 390456911 /nfs/dbraw/zinc/45/69/11/390456911.db2.gz KBQWFJUFTIULOU-KKUMJFAQSA-N 2 2 285.432 0.358 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)[N@@H+](C)C1 ZINC000499620138 390459421 /nfs/dbraw/zinc/45/94/21/390459421.db2.gz WGODCHVKYRJXAR-MELADBBJSA-N 2 2 283.416 0.504 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)[NH+](C)C1 ZINC000499620138 390459425 /nfs/dbraw/zinc/45/94/25/390459425.db2.gz WGODCHVKYRJXAR-MELADBBJSA-N 2 2 283.416 0.504 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)[NH+](C)C1 ZINC000499620138 390459429 /nfs/dbraw/zinc/45/94/29/390459429.db2.gz WGODCHVKYRJXAR-MELADBBJSA-N 2 2 283.416 0.504 20 0 CCADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]C[C@H](C)[NH3+] ZINC000643526937 390460500 /nfs/dbraw/zinc/46/05/00/390460500.db2.gz HREXGQAPRYKRAT-WDEREUQCSA-N 2 2 285.413 0.949 20 0 CCADLP CSC[C@H](O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000556065309 390472822 /nfs/dbraw/zinc/47/28/22/390472822.db2.gz CGAGIPWJFMRVEI-GHMZBOCLSA-N 2 2 255.387 0.933 20 0 CCADLP CSC[C@H](O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000556065309 390472824 /nfs/dbraw/zinc/47/28/24/390472824.db2.gz CGAGIPWJFMRVEI-GHMZBOCLSA-N 2 2 255.387 0.933 20 0 CCADLP CO[C@@H]1COC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000646042632 390581386 /nfs/dbraw/zinc/58/13/86/390581386.db2.gz HWEDTSKEARQXGN-ARFHVFGLSA-N 2 2 294.395 0.483 20 0 CCADLP CO[C@@H]1COC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000646042632 390581389 /nfs/dbraw/zinc/58/13/89/390581389.db2.gz HWEDTSKEARQXGN-ARFHVFGLSA-N 2 2 294.395 0.483 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000519705513 390530962 /nfs/dbraw/zinc/53/09/62/390530962.db2.gz IFWVLLXXWMBFIT-SNVBAGLBSA-N 2 2 295.387 0.349 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000519705513 390530965 /nfs/dbraw/zinc/53/09/65/390530965.db2.gz IFWVLLXXWMBFIT-SNVBAGLBSA-N 2 2 295.387 0.349 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000565666087 390534213 /nfs/dbraw/zinc/53/42/13/390534213.db2.gz OSMXBXFQCYUKOA-BYNSBNAKSA-N 2 2 286.416 0.567 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000565666087 390534218 /nfs/dbraw/zinc/53/42/18/390534218.db2.gz OSMXBXFQCYUKOA-BYNSBNAKSA-N 2 2 286.416 0.567 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000565666087 390534221 /nfs/dbraw/zinc/53/42/21/390534221.db2.gz OSMXBXFQCYUKOA-BYNSBNAKSA-N 2 2 286.416 0.567 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000565666087 390534228 /nfs/dbraw/zinc/53/42/28/390534228.db2.gz OSMXBXFQCYUKOA-BYNSBNAKSA-N 2 2 286.416 0.567 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@H]2CCCC2(F)F)[C@H](C[NH3+])C1 ZINC000519756113 390538743 /nfs/dbraw/zinc/53/87/43/390538743.db2.gz SAJJSFMEZRIKRA-GHMZBOCLSA-N 2 2 290.358 0.706 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@H]2CCCC2(F)F)[C@H](C[NH3+])C1 ZINC000519756113 390538745 /nfs/dbraw/zinc/53/87/45/390538745.db2.gz SAJJSFMEZRIKRA-GHMZBOCLSA-N 2 2 290.358 0.706 20 0 CCADLP C[C@@H](C[NH2+]C[C@H](O)C(F)(F)F)C[NH+]1CCOCC1 ZINC000565770246 390543107 /nfs/dbraw/zinc/54/31/07/390543107.db2.gz LJRXURFAICMOSK-UWVGGRQHSA-N 2 2 270.295 0.468 20 0 CCADLP C[C@@H](C(=O)N1CC2CCC1(C[NH3+])CC2)[NH+]1CCN(C)CC1 ZINC000519825761 390548837 /nfs/dbraw/zinc/54/88/37/390548837.db2.gz CTPUFBHXXPRLFD-HLIUYOAVSA-N 2 2 294.443 0.352 20 0 CCADLP CC(C)[NH2+]CCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645977486 390555731 /nfs/dbraw/zinc/55/57/31/390555731.db2.gz BXTCHCNBIOOCBI-AWEZNQCLSA-N 3 2 296.459 0.659 20 0 CCADLP CC(C)[NH2+]CCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645977486 390555735 /nfs/dbraw/zinc/55/57/35/390555735.db2.gz BXTCHCNBIOOCBI-AWEZNQCLSA-N 3 2 296.459 0.659 20 0 CCADLP C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000520231113 390561360 /nfs/dbraw/zinc/56/13/60/390561360.db2.gz CZTKZCFCXXPEDZ-AXFHLTTASA-N 2 2 293.419 0.470 20 0 CCADLP C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000520231113 390561366 /nfs/dbraw/zinc/56/13/66/390561366.db2.gz CZTKZCFCXXPEDZ-AXFHLTTASA-N 2 2 293.419 0.470 20 0 CCADLP CCC[C@H](CC)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000565999364 390565623 /nfs/dbraw/zinc/56/56/23/390565623.db2.gz LLGAAFALGCWDKZ-NWDGAFQWSA-N 2 2 256.394 0.849 20 0 CCADLP CCC[C@H](CC)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000565999364 390565629 /nfs/dbraw/zinc/56/56/29/390565629.db2.gz LLGAAFALGCWDKZ-NWDGAFQWSA-N 2 2 256.394 0.849 20 0 CCADLP O=C(NCC[NH+]1Cc2ccccc2C1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649306504 390567217 /nfs/dbraw/zinc/56/72/17/390567217.db2.gz WAPRKIZQOCOSLD-KFWWJZLASA-N 2 2 271.364 0.869 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CNC2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000520396655 390569903 /nfs/dbraw/zinc/56/99/03/390569903.db2.gz AZTGMHUGKWHXRB-UMVBOHGHSA-N 2 2 285.432 0.140 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)CNC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000520396656 390570271 /nfs/dbraw/zinc/57/02/71/390570271.db2.gz AZTGMHUGKWHXRB-VNHYZAJKSA-N 2 2 285.432 0.140 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)CNC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000520396656 390570272 /nfs/dbraw/zinc/57/02/72/390570272.db2.gz AZTGMHUGKWHXRB-VNHYZAJKSA-N 2 2 285.432 0.140 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)C[C@H]1C ZINC000646024837 390574372 /nfs/dbraw/zinc/57/43/72/390574372.db2.gz RPXCRBLXPLWCRR-VXGBXAGGSA-N 2 2 269.389 0.164 20 0 CCADLP COCC[N@H+]1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)C[C@H]1C ZINC000646024837 390574378 /nfs/dbraw/zinc/57/43/78/390574378.db2.gz RPXCRBLXPLWCRR-VXGBXAGGSA-N 2 2 269.389 0.164 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000520424747 390575025 /nfs/dbraw/zinc/57/50/25/390575025.db2.gz BWBQTUPIIKCEMI-VWYCJHECSA-N 2 2 284.322 0.544 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000520424747 390575029 /nfs/dbraw/zinc/57/50/29/390575029.db2.gz BWBQTUPIIKCEMI-VWYCJHECSA-N 2 2 284.322 0.544 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000520424747 390575031 /nfs/dbraw/zinc/57/50/31/390575031.db2.gz BWBQTUPIIKCEMI-VWYCJHECSA-N 2 2 284.322 0.544 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000520424747 390575034 /nfs/dbraw/zinc/57/50/34/390575034.db2.gz BWBQTUPIIKCEMI-VWYCJHECSA-N 2 2 284.322 0.544 20 0 CCADLP COc1cccnc1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000566088856 390575848 /nfs/dbraw/zinc/57/58/48/390575848.db2.gz CYNJGXPTYYTHSA-CABCVRRESA-N 2 2 277.368 0.947 20 0 CCADLP COCCn1cc(C[NH2+]CCC[NH+]2CCC2)cn1 ZINC000566474877 390619535 /nfs/dbraw/zinc/61/95/35/390619535.db2.gz UKKIIFUGTLFJIT-UHFFFAOYSA-N 2 2 252.362 0.715 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)n1C ZINC000566557965 390628193 /nfs/dbraw/zinc/62/81/93/390628193.db2.gz XURLAEITPGKWDX-UHFFFAOYSA-N 2 2 288.355 0.540 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2CCc3n[nH]c(=O)cc3C2)n1C ZINC000566557965 390628196 /nfs/dbraw/zinc/62/81/96/390628196.db2.gz XURLAEITPGKWDX-UHFFFAOYSA-N 2 2 288.355 0.540 20 0 CCADLP C[NH+](C)C(C)(C)CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000523286743 390634751 /nfs/dbraw/zinc/63/47/51/390634751.db2.gz LDIFYQFLCRRSIE-UHFFFAOYSA-N 2 2 288.355 0.732 20 0 CCADLP CC[C@H](O)CCC[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000566678355 390638324 /nfs/dbraw/zinc/63/83/24/390638324.db2.gz COXFTVXLYDWCEA-LJISPDSOSA-N 2 2 288.432 0.597 20 0 CCADLP CC[C@H](O)CCC[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000566678355 390638327 /nfs/dbraw/zinc/63/83/27/390638327.db2.gz COXFTVXLYDWCEA-LJISPDSOSA-N 2 2 288.432 0.597 20 0 CCADLP CC[C@H](O)CCC[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000566678353 390638342 /nfs/dbraw/zinc/63/83/42/390638342.db2.gz COXFTVXLYDWCEA-AJNGGQMLSA-N 2 2 288.432 0.597 20 0 CCADLP C[C@@H]1SCC[C@H]1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000646233638 390645443 /nfs/dbraw/zinc/64/54/43/390645443.db2.gz JIJIHRYXTNKWAA-HBNTYKKESA-N 2 2 272.418 0.165 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000646253084 390649654 /nfs/dbraw/zinc/64/96/54/390649654.db2.gz QBMPTTARARRFGT-LLVKDONJSA-N 2 2 250.346 0.730 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)NC[C@@]3(O)CC[N@@H+](C)C3)ccn12 ZINC000566450985 390611475 /nfs/dbraw/zinc/61/14/75/390611475.db2.gz LXGCNOADDZCCPD-HNNXBMFYSA-N 2 2 288.351 0.439 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)NC[C@@]3(O)CC[N@H+](C)C3)ccn12 ZINC000566450985 390611481 /nfs/dbraw/zinc/61/14/81/390611481.db2.gz LXGCNOADDZCCPD-HNNXBMFYSA-N 2 2 288.351 0.439 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000646138223 390616682 /nfs/dbraw/zinc/61/66/82/390616682.db2.gz GRADPKYIHVGOSM-ZDUSSCGKSA-N 2 2 290.367 0.665 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CC2(F)CC2)C1 ZINC000567501807 390702286 /nfs/dbraw/zinc/70/22/86/390702286.db2.gz JCDYUKXBMPOGSQ-LLVKDONJSA-N 2 2 255.337 0.385 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CC2(F)CC2)C1 ZINC000567501807 390702287 /nfs/dbraw/zinc/70/22/87/390702287.db2.gz JCDYUKXBMPOGSQ-LLVKDONJSA-N 2 2 255.337 0.385 20 0 CCADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000567618940 390707339 /nfs/dbraw/zinc/70/73/39/390707339.db2.gz GDRBNLPQBSGVTO-HNNXBMFYSA-N 2 2 281.375 0.918 20 0 CCADLP C[C@H](CN1CCOCC1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000570928966 390724758 /nfs/dbraw/zinc/72/47/58/390724758.db2.gz WTIWMKOETLQKEK-RDBSUJKOSA-N 2 2 253.390 0.248 20 0 CCADLP C[C@H](CN1CCOCC1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000570928966 390724759 /nfs/dbraw/zinc/72/47/59/390724759.db2.gz WTIWMKOETLQKEK-RDBSUJKOSA-N 2 2 253.390 0.248 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C(F)(F)F ZINC000646831874 390725396 /nfs/dbraw/zinc/72/53/96/390725396.db2.gz DBGCTFNRYKFYPV-SFYZADRCSA-N 2 2 253.268 0.286 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C(F)(F)F ZINC000646831874 390725398 /nfs/dbraw/zinc/72/53/98/390725398.db2.gz DBGCTFNRYKFYPV-SFYZADRCSA-N 2 2 253.268 0.286 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCOC2CCCC2)[C@H](C[NH3+])C1 ZINC000570938631 390725469 /nfs/dbraw/zinc/72/54/69/390725469.db2.gz UDCFVUHPXRZQKL-GFCCVEGCSA-N 2 2 284.404 0.230 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCOC2CCCC2)[C@H](C[NH3+])C1 ZINC000570938631 390725471 /nfs/dbraw/zinc/72/54/71/390725471.db2.gz UDCFVUHPXRZQKL-GFCCVEGCSA-N 2 2 284.404 0.230 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](C)[NH+]1CCSCC1 ZINC000571236747 390727202 /nfs/dbraw/zinc/72/72/02/390727202.db2.gz LGBXUONNOLRCIH-QWHCGFSZSA-N 2 2 285.457 0.976 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)[NH+]1CCSCC1 ZINC000571236747 390727203 /nfs/dbraw/zinc/72/72/03/390727203.db2.gz LGBXUONNOLRCIH-QWHCGFSZSA-N 2 2 285.457 0.976 20 0 CCADLP COc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1F ZINC000566985831 390664540 /nfs/dbraw/zinc/66/45/40/390664540.db2.gz ZFMGJUHGVMWUSO-YPMHNXCESA-N 2 2 293.342 0.578 20 0 CCADLP COc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1F ZINC000566985831 390664543 /nfs/dbraw/zinc/66/45/43/390664543.db2.gz ZFMGJUHGVMWUSO-YPMHNXCESA-N 2 2 293.342 0.578 20 0 CCADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000567484080 390700884 /nfs/dbraw/zinc/70/08/84/390700884.db2.gz GVQHTJBEBXKHLZ-CQSZACIVSA-N 2 2 298.427 0.713 20 0 CCADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000567484080 390700886 /nfs/dbraw/zinc/70/08/86/390700886.db2.gz GVQHTJBEBXKHLZ-CQSZACIVSA-N 2 2 298.427 0.713 20 0 CCADLP CN1CCC[C@H]([NH+]2CCC(C)([NH+]3CCOCC3)CC2)C1=O ZINC000528726273 390771601 /nfs/dbraw/zinc/77/16/01/390771601.db2.gz DPUNUTYFTXNVCP-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP CCSCC[C@@H](C)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000572346968 390779124 /nfs/dbraw/zinc/77/91/24/390779124.db2.gz JUQDDQRRJZFPOZ-NEPJUHHUSA-N 2 2 288.461 0.802 20 0 CCADLP CCSCC[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000572346968 390779125 /nfs/dbraw/zinc/77/91/25/390779125.db2.gz JUQDDQRRJZFPOZ-NEPJUHHUSA-N 2 2 288.461 0.802 20 0 CCADLP COc1ncncc1C[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000647185237 390784454 /nfs/dbraw/zinc/78/44/54/390784454.db2.gz VHWZAMIMBWMAHS-LBPRGKRZSA-N 2 2 280.372 0.543 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000528945660 390785155 /nfs/dbraw/zinc/78/51/55/390785155.db2.gz FXDQKHOMJQDBQA-VXGBXAGGSA-N 2 2 250.346 0.743 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000528945660 390785157 /nfs/dbraw/zinc/78/51/57/390785157.db2.gz FXDQKHOMJQDBQA-VXGBXAGGSA-N 2 2 250.346 0.743 20 0 CCADLP CC(C)Cn1nccc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000647202038 390787362 /nfs/dbraw/zinc/78/73/62/390787362.db2.gz KCPYNHAPJQVIKB-AWEZNQCLSA-N 2 2 266.389 0.695 20 0 CCADLP CC(C)Cn1nccc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000647202038 390787363 /nfs/dbraw/zinc/78/73/63/390787363.db2.gz KCPYNHAPJQVIKB-AWEZNQCLSA-N 2 2 266.389 0.695 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CO1 ZINC000647210550 390789791 /nfs/dbraw/zinc/78/97/91/390789791.db2.gz MSIVTBPGFOSQHC-ZWBVZUSMSA-N 2 2 295.427 0.837 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CO1 ZINC000647210550 390789793 /nfs/dbraw/zinc/78/97/93/390789793.db2.gz MSIVTBPGFOSQHC-ZWBVZUSMSA-N 2 2 295.427 0.837 20 0 CCADLP COc1ncncc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000647211916 390789933 /nfs/dbraw/zinc/78/99/33/390789933.db2.gz MJTONYXZOGTYPP-JTQLQIEISA-N 2 2 259.313 0.855 20 0 CCADLP COc1ncncc1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000647211916 390789936 /nfs/dbraw/zinc/78/99/36/390789936.db2.gz MJTONYXZOGTYPP-JTQLQIEISA-N 2 2 259.313 0.855 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](CCc2cnn(C)c2)CC1 ZINC000572613605 390792093 /nfs/dbraw/zinc/79/20/93/390792093.db2.gz HVZAQZQEYFGCSH-UHFFFAOYSA-N 2 2 280.416 0.788 20 0 CCADLP C[C@H](CO[C@H]1CCOC1)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000572751742 390801294 /nfs/dbraw/zinc/80/12/94/390801294.db2.gz SJGHLTYSSJLDMF-BNOWGMLFSA-N 2 2 272.389 0.225 20 0 CCADLP C[C@H](CO[C@H]1CCOC1)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000572751742 390801295 /nfs/dbraw/zinc/80/12/95/390801295.db2.gz SJGHLTYSSJLDMF-BNOWGMLFSA-N 2 2 272.389 0.225 20 0 CCADLP COc1c(N)[nH+]cnc1NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528209500 390736094 /nfs/dbraw/zinc/73/60/94/390736094.db2.gz JQRBCJPZYDDGOZ-NSHDSACASA-N 2 2 277.372 0.918 20 0 CCADLP COc1c(N)[nH+]cnc1NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528209500 390736097 /nfs/dbraw/zinc/73/60/97/390736097.db2.gz JQRBCJPZYDDGOZ-NSHDSACASA-N 2 2 277.372 0.918 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2ccncc2)C1 ZINC000578202875 390869760 /nfs/dbraw/zinc/86/97/60/390869760.db2.gz AMAVEFHGFQLHAB-HZPDHXFCSA-N 2 2 293.411 0.810 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2ccncc2)C1 ZINC000578202875 390869764 /nfs/dbraw/zinc/86/97/64/390869764.db2.gz AMAVEFHGFQLHAB-HZPDHXFCSA-N 2 2 293.411 0.810 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000578202875 390869765 /nfs/dbraw/zinc/86/97/65/390869765.db2.gz AMAVEFHGFQLHAB-HZPDHXFCSA-N 2 2 293.411 0.810 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000578202875 390869768 /nfs/dbraw/zinc/86/97/68/390869768.db2.gz AMAVEFHGFQLHAB-HZPDHXFCSA-N 2 2 293.411 0.810 20 0 CCADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cc2n(n1)CCCC2 ZINC000647300238 390809619 /nfs/dbraw/zinc/80/96/19/390809619.db2.gz ZSGOPERPGBMKBU-SWLSCSKDSA-N 2 2 278.400 0.937 20 0 CCADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cc2n(n1)CCCC2 ZINC000647300238 390809623 /nfs/dbraw/zinc/80/96/23/390809623.db2.gz ZSGOPERPGBMKBU-SWLSCSKDSA-N 2 2 278.400 0.937 20 0 CCADLP C[C@@H]1CN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)[C@H](C)C[NH2+]1 ZINC000572958212 390812961 /nfs/dbraw/zinc/81/29/61/390812961.db2.gz NQSCCZHWKCWSCC-MXWKQRLJSA-N 2 2 277.372 0.309 20 0 CCADLP C[C@@H](C(=O)NCC[N@@H+]1CCOCC1(C)C)[NH+]1CC(C)C1 ZINC000572973021 390815257 /nfs/dbraw/zinc/81/52/57/390815257.db2.gz KXYVOZLWJQCTEI-ZDUSSCGKSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H](C(=O)NCC[N@H+]1CCOCC1(C)C)[NH+]1CC(C)C1 ZINC000572973021 390815261 /nfs/dbraw/zinc/81/52/61/390815261.db2.gz KXYVOZLWJQCTEI-ZDUSSCGKSA-N 2 2 283.416 0.554 20 0 CCADLP C[N@@H+]1CCc2nc(NC(=O)[C@@H]3C[C@@H]3[NH3+])sc2C1 ZINC000578352422 390878909 /nfs/dbraw/zinc/87/89/09/390878909.db2.gz ZSJDDBZOESXBJI-RQJHMYQMSA-N 2 2 252.343 0.417 20 0 CCADLP C[N@H+]1CCc2nc(NC(=O)[C@@H]3C[C@@H]3[NH3+])sc2C1 ZINC000578352422 390878912 /nfs/dbraw/zinc/87/89/12/390878912.db2.gz ZSJDDBZOESXBJI-RQJHMYQMSA-N 2 2 252.343 0.417 20 0 CCADLP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000529376440 390823852 /nfs/dbraw/zinc/82/38/52/390823852.db2.gz DBEJNFUIBCPSSA-RXGFPQBGSA-N 2 2 284.404 0.083 20 0 CCADLP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000529376440 390823853 /nfs/dbraw/zinc/82/38/53/390823853.db2.gz DBEJNFUIBCPSSA-RXGFPQBGSA-N 2 2 284.404 0.083 20 0 CCADLP C[NH2+][C@@H](C)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000574927179 390825971 /nfs/dbraw/zinc/82/59/71/390825971.db2.gz ZKLZSJHFCCGYQR-AWEZNQCLSA-N 2 2 291.395 0.818 20 0 CCADLP COCC(C)(C)[NH+]1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC000529502974 390838708 /nfs/dbraw/zinc/83/87/08/390838708.db2.gz QZOQVEUPDJKVQY-UHFFFAOYSA-N 2 2 294.399 0.761 20 0 CCADLP C[C@@H]([NH2+][C@H]1C[NH2+]C[C@@H](C)C1)[C@H](C)N1CCOCC1 ZINC000647549600 390840152 /nfs/dbraw/zinc/84/01/52/390840152.db2.gz JBZCTYUZFGUFRH-RFQIPJPRSA-N 2 2 255.406 0.683 20 0 CCADLP C[C@@H](N[C@H]1C[NH2+]C[C@@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000647549600 390840155 /nfs/dbraw/zinc/84/01/55/390840155.db2.gz JBZCTYUZFGUFRH-RFQIPJPRSA-N 2 2 255.406 0.683 20 0 CCADLP O=C(NCC1CC[NH2+]CC1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000577868300 390850038 /nfs/dbraw/zinc/85/00/38/390850038.db2.gz HZYPXADYROKBIM-HNNXBMFYSA-N 2 2 295.427 0.746 20 0 CCADLP O=C(NCC1CC[NH2+]CC1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000577868300 390850040 /nfs/dbraw/zinc/85/00/40/390850040.db2.gz HZYPXADYROKBIM-HNNXBMFYSA-N 2 2 295.427 0.746 20 0 CCADLP Cc1ccc(NCCC[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)[nH+]c1 ZINC000578435624 390882865 /nfs/dbraw/zinc/88/28/65/390882865.db2.gz JYMYXPBMWVBFOO-HNNXBMFYSA-N 3 2 292.427 0.659 20 0 CCADLP Cc1ccc(NCCC[NH2+]C[C@H](O)C[N@H+](C)C2CC2)[nH+]c1 ZINC000578435624 390882868 /nfs/dbraw/zinc/88/28/68/390882868.db2.gz JYMYXPBMWVBFOO-HNNXBMFYSA-N 3 2 292.427 0.659 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COC2CCOCC2)C[N@@H+]1C1CC1 ZINC000578435717 390882942 /nfs/dbraw/zinc/88/29/42/390882942.db2.gz NHOBFJONDFXFHK-VNHYZAJKSA-N 2 2 298.427 0.758 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COC2CCOCC2)C[N@H+]1C1CC1 ZINC000578435717 390882944 /nfs/dbraw/zinc/88/29/44/390882944.db2.gz NHOBFJONDFXFHK-VNHYZAJKSA-N 2 2 298.427 0.758 20 0 CCADLP CC1CC([NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000578435951 390883500 /nfs/dbraw/zinc/88/35/00/390883500.db2.gz ZBNLIXKWDWWPAB-XGVQBZMBSA-N 2 2 256.390 0.845 20 0 CCADLP CC1CC([NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000578435951 390883504 /nfs/dbraw/zinc/88/35/04/390883504.db2.gz ZBNLIXKWDWWPAB-XGVQBZMBSA-N 2 2 256.390 0.845 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCc2cnn(C)c2)C[C@@H](C)O1 ZINC000578618678 390894740 /nfs/dbraw/zinc/89/47/40/390894740.db2.gz MARMUZLVJRYLPW-NFAWXSAZSA-N 2 2 296.415 0.022 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)C1CCC(CO)CC1 ZINC000578638759 390895803 /nfs/dbraw/zinc/89/58/03/390895803.db2.gz FZIVKDGMAQJJTR-NRXISQOPSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)C1CCC(CO)CC1 ZINC000578638759 390895804 /nfs/dbraw/zinc/89/58/04/390895804.db2.gz FZIVKDGMAQJJTR-NRXISQOPSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)C1CCC(CO)CC1 ZINC000578638759 390895805 /nfs/dbraw/zinc/89/58/05/390895805.db2.gz FZIVKDGMAQJJTR-NRXISQOPSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)C1CCC(CO)CC1 ZINC000578638759 390895806 /nfs/dbraw/zinc/89/58/06/390895806.db2.gz FZIVKDGMAQJJTR-NRXISQOPSA-N 2 2 288.432 0.408 20 0 CCADLP [NH3+]C1(C(=O)NCCc2cn3c([nH+]2)CCCC3)CCC1 ZINC000578886764 390906382 /nfs/dbraw/zinc/90/63/82/390906382.db2.gz VZUGZMQXZGUBSE-UHFFFAOYSA-N 2 2 262.357 0.760 20 0 CCADLP C[C@@H]([NH2+]C1CC1)C(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000423865723 533332783 /nfs/dbraw/zinc/33/27/83/533332783.db2.gz KYDAEVJKRIFJMM-DOMZBBRYSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H]([NH2+]C1CC1)C(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000423865723 533332795 /nfs/dbraw/zinc/33/27/95/533332795.db2.gz KYDAEVJKRIFJMM-DOMZBBRYSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H](CCC[NH3+])NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000423697319 533552964 /nfs/dbraw/zinc/55/29/64/533552964.db2.gz ZDJKMQSVHFDQBC-JSGCOSHPSA-N 2 2 283.416 0.873 20 0 CCADLP C[C@@H](CCC[NH3+])NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000423697319 533552967 /nfs/dbraw/zinc/55/29/67/533552967.db2.gz ZDJKMQSVHFDQBC-JSGCOSHPSA-N 2 2 283.416 0.873 20 0 CCADLP CSCC[C@H]([NH3+])C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424178310 533646609 /nfs/dbraw/zinc/64/66/09/533646609.db2.gz QYDHFJXNNIRPOF-IUCAKERBSA-N 2 2 281.372 0.428 20 0 CCADLP CC[N@@H+]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@@H](C)C1 ZINC000341841211 130086120 /nfs/dbraw/zinc/08/61/20/130086120.db2.gz JKLHAVCSXKNYTR-NSHDSACASA-N 2 2 280.372 0.902 20 0 CCADLP CC[N@H+]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@@H](C)C1 ZINC000341841211 130086121 /nfs/dbraw/zinc/08/61/21/130086121.db2.gz JKLHAVCSXKNYTR-NSHDSACASA-N 2 2 280.372 0.902 20 0 CCADLP CC[NH+](CC)CCOC1CC[NH+](Cc2nnnn2C)CC1 ZINC000342114235 130271328 /nfs/dbraw/zinc/27/13/28/130271328.db2.gz RDYQFUWWTZKFCT-UHFFFAOYSA-N 2 2 296.419 0.533 20 0 CCADLP [NH3+]C1(C[NH2+]CC(=O)NC(=O)NC2CCCCC2)CCC1 ZINC000342134482 130292092 /nfs/dbraw/zinc/29/20/92/130292092.db2.gz PVMUBYFGINHBSQ-UHFFFAOYSA-N 2 2 282.388 0.616 20 0 CCADLP [NH3+]C1(C[NH2+]Cc2cc(=O)n3ccsc3n2)CCC1 ZINC000342141384 130333049 /nfs/dbraw/zinc/33/30/49/130333049.db2.gz USAQVBTXMBTAPR-UHFFFAOYSA-N 2 2 264.354 0.727 20 0 CCADLP Cn1ccc(N2CCC[C@@H]([NH2+]CC3([NH3+])CCC3)C2=O)n1 ZINC000342146626 130338628 /nfs/dbraw/zinc/33/86/28/130338628.db2.gz YGWRGDGUKKBMHS-LLVKDONJSA-N 2 2 277.372 0.387 20 0 CCADLP C[C@H]1[C@@H](NC(=O)NCCn2cc[nH+]c2)CCC[N@H+]1C ZINC000342210924 130386969 /nfs/dbraw/zinc/38/69/69/130386969.db2.gz YPSMVDCUQXMIDZ-RYUDHWBXSA-N 2 2 265.361 0.665 20 0 CCADLP C[NH2+]CC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000237271171 131019702 /nfs/dbraw/zinc/01/97/02/131019702.db2.gz PHRYOTQRKXUKAO-CQSZACIVSA-N 2 2 277.368 0.396 20 0 CCADLP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NC1CC1 ZINC000037918065 397392005 /nfs/dbraw/zinc/39/20/05/397392005.db2.gz SQZMVEZDSVHYMY-AAEUAGOBSA-N 2 2 251.374 0.729 20 0 CCADLP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NC1CC1 ZINC000037918065 397392007 /nfs/dbraw/zinc/39/20/07/397392007.db2.gz SQZMVEZDSVHYMY-AAEUAGOBSA-N 2 2 251.374 0.729 20 0 CCADLP [NH3+]CCOCC[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000357026264 144051746 /nfs/dbraw/zinc/05/17/46/144051746.db2.gz HZHRLKCPZCHYPA-UHFFFAOYSA-N 2 2 295.358 0.559 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000357069947 144056263 /nfs/dbraw/zinc/05/62/63/144056263.db2.gz IAGAJPJTZFYXTQ-UONOGXRCSA-N 3 2 294.443 0.128 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000357069947 144056265 /nfs/dbraw/zinc/05/62/65/144056265.db2.gz IAGAJPJTZFYXTQ-UONOGXRCSA-N 3 2 294.443 0.128 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NC(C1CC1)C1CC1 ZINC000357074569 144057076 /nfs/dbraw/zinc/05/70/76/144057076.db2.gz IGUFZOQBRHUSOM-KGLIPLIRSA-N 2 2 277.412 0.833 20 0 CCADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NC(C1CC1)C1CC1 ZINC000357074569 144057077 /nfs/dbraw/zinc/05/70/77/144057077.db2.gz IGUFZOQBRHUSOM-KGLIPLIRSA-N 2 2 277.412 0.833 20 0 CCADLP C[NH2+][C@@H](C(=O)NCCCn1cc[nH+]c1)c1cnn(C)c1 ZINC000357196470 144068824 /nfs/dbraw/zinc/06/88/24/144068824.db2.gz ZKSRALJMRJYETH-GFCCVEGCSA-N 2 2 276.344 0.084 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]3COCC[C@@H]32)CC1 ZINC000357311775 144081323 /nfs/dbraw/zinc/08/13/23/144081323.db2.gz WREZICFZCIDOGZ-KBPBESRZSA-N 2 2 281.400 0.261 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]3COCC[C@@H]32)CC1 ZINC000357311775 144081325 /nfs/dbraw/zinc/08/13/25/144081325.db2.gz WREZICFZCIDOGZ-KBPBESRZSA-N 2 2 281.400 0.261 20 0 CCADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000357922664 144134031 /nfs/dbraw/zinc/13/40/31/144134031.db2.gz NSDYGUQOTBUNMR-OLZOCXBDSA-N 2 2 290.367 0.021 20 0 CCADLP CC[N@@H+]1CCCN(c2nc(C)[nH+]c(N(C)C)n2)CC1 ZINC000359151301 144197294 /nfs/dbraw/zinc/19/72/94/144197294.db2.gz UNCQHEAJSNEJBK-UHFFFAOYSA-N 2 2 264.377 0.778 20 0 CCADLP CC[N@H+]1CCCN(c2nc(C)[nH+]c(N(C)C)n2)CC1 ZINC000359151301 144197295 /nfs/dbraw/zinc/19/72/95/144197295.db2.gz UNCQHEAJSNEJBK-UHFFFAOYSA-N 2 2 264.377 0.778 20 0 CCADLP Cc1nc(N(C)[C@@H]2CCC[N@H+](C)C2)nc(N(C)C)[nH+]1 ZINC000359152845 144197523 /nfs/dbraw/zinc/19/75/23/144197523.db2.gz ZUIASXQYKSMMIC-LLVKDONJSA-N 2 2 264.377 0.776 20 0 CCADLP Cc1nc(N(C)[C@@H]2CCC[N@@H+](C)C2)nc(N(C)C)[nH+]1 ZINC000359152845 144197526 /nfs/dbraw/zinc/19/75/26/144197526.db2.gz ZUIASXQYKSMMIC-LLVKDONJSA-N 2 2 264.377 0.776 20 0 CCADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000368561500 144232304 /nfs/dbraw/zinc/23/23/04/144232304.db2.gz LXSJQHLRRVXEFE-CHWSQXEVSA-N 2 2 283.416 0.602 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]2CCCCC[NH2+]2)CCO1 ZINC000368738750 144242396 /nfs/dbraw/zinc/24/23/96/144242396.db2.gz BYXXGGLZRBIICW-ZDUSSCGKSA-N 2 2 283.416 0.746 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]2CCCCC[NH2+]2)CCO1 ZINC000368738750 144242398 /nfs/dbraw/zinc/24/23/98/144242398.db2.gz BYXXGGLZRBIICW-ZDUSSCGKSA-N 2 2 283.416 0.746 20 0 CCADLP Cc1n[nH]cc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369273781 144261001 /nfs/dbraw/zinc/26/10/01/144261001.db2.gz JNONMWRVUFWJBH-GFCCVEGCSA-N 2 2 291.399 0.616 20 0 CCADLP Cc1n[nH]cc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369273781 144261003 /nfs/dbraw/zinc/26/10/03/144261003.db2.gz JNONMWRVUFWJBH-GFCCVEGCSA-N 2 2 291.399 0.616 20 0 CCADLP CC(C)NC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000370151371 144292344 /nfs/dbraw/zinc/29/23/44/144292344.db2.gz VRFMBQLPJMIKQW-GJZGRUSLSA-N 2 2 296.459 0.469 20 0 CCADLP CC(C)NC(=O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000370151371 144292345 /nfs/dbraw/zinc/29/23/45/144292345.db2.gz VRFMBQLPJMIKQW-GJZGRUSLSA-N 2 2 296.459 0.469 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)CCCn2cc[nH+]c2)C1 ZINC000370734733 144314176 /nfs/dbraw/zinc/31/41/76/144314176.db2.gz KVWJZXMOLMWPMR-ZDUSSCGKSA-N 2 2 280.372 0.452 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N(C)CCCn2cc[nH+]c2)C1 ZINC000370734733 144314177 /nfs/dbraw/zinc/31/41/77/144314177.db2.gz KVWJZXMOLMWPMR-ZDUSSCGKSA-N 2 2 280.372 0.452 20 0 CCADLP CC(C)[NH+]1CCC([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000387427929 397504408 /nfs/dbraw/zinc/50/44/08/397504408.db2.gz PKRKPLGEIIKATN-OAHLLOKOSA-N 3 2 269.433 0.904 20 0 CCADLP CC(C)[NH+]1CCC([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000387427929 397504411 /nfs/dbraw/zinc/50/44/11/397504411.db2.gz PKRKPLGEIIKATN-OAHLLOKOSA-N 3 2 269.433 0.904 20 0 CCADLP CC(C)OCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685860 397655937 /nfs/dbraw/zinc/65/59/37/397655937.db2.gz OPLPZSMBQUJLEO-UHFFFAOYSA-N 2 2 257.378 0.117 20 0 CCADLP CC(C)OCC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685860 397655940 /nfs/dbraw/zinc/65/59/40/397655940.db2.gz OPLPZSMBQUJLEO-UHFFFAOYSA-N 2 2 257.378 0.117 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@H](C)CO1 ZINC000649731685 397661295 /nfs/dbraw/zinc/66/12/95/397661295.db2.gz LHNRYBVQMCOPOB-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@H](C)CO1 ZINC000649731685 397661297 /nfs/dbraw/zinc/66/12/97/397661297.db2.gz LHNRYBVQMCOPOB-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC(Cn2cnnc2)CC1)C1CC1 ZINC000649785112 397667863 /nfs/dbraw/zinc/66/78/63/397667863.db2.gz XEXMWTBGRPGAAT-HNNXBMFYSA-N 2 2 293.415 0.445 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(Cn2cnnc2)CC1)C1CC1 ZINC000649785112 397667865 /nfs/dbraw/zinc/66/78/65/397667865.db2.gz XEXMWTBGRPGAAT-HNNXBMFYSA-N 2 2 293.415 0.445 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCOC[C@H]1c1ccnn1C ZINC000649885615 397679990 /nfs/dbraw/zinc/67/99/90/397679990.db2.gz VYODEUZMQWDUMQ-AWEZNQCLSA-N 2 2 275.356 0.770 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCOC[C@H]1c1ccnn1C ZINC000649885615 397679992 /nfs/dbraw/zinc/67/99/92/397679992.db2.gz VYODEUZMQWDUMQ-AWEZNQCLSA-N 2 2 275.356 0.770 20 0 CCADLP CC[C@]1(C(=O)NCC(C)(C)[NH+]2CCOCC2)CCC[NH2+]1 ZINC000128971333 288426879 /nfs/dbraw/zinc/42/68/79/288426879.db2.gz RXOSDJBVZWIDNO-OAHLLOKOSA-N 2 2 283.416 0.746 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000548817026 286071249 /nfs/dbraw/zinc/07/12/49/286071249.db2.gz KUGGKIVJNCAVQV-CQSZACIVSA-N 2 2 294.399 0.532 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000551953230 286139828 /nfs/dbraw/zinc/13/98/28/286139828.db2.gz XAQMSBRAYRLFCQ-STQMWFEESA-N 2 2 269.389 0.117 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000551953230 286139830 /nfs/dbraw/zinc/13/98/30/286139830.db2.gz XAQMSBRAYRLFCQ-STQMWFEESA-N 2 2 269.389 0.117 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000659112189 413289573 /nfs/dbraw/zinc/28/95/73/413289573.db2.gz IVPPEBIDMZUTLV-VIFPVBQESA-N 2 2 264.329 0.361 20 0 CCADLP CC(C)[NH2+]CC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000659330047 413419660 /nfs/dbraw/zinc/41/96/60/413419660.db2.gz ONOJDDXGZSJQTJ-RWMBFGLXSA-N 2 2 271.405 0.598 20 0 CCADLP CC(C)[C@H](C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)[C@@H](C)[NH3+] ZINC000659357811 413441190 /nfs/dbraw/zinc/44/11/90/413441190.db2.gz NKIOXBWEGVGUIG-RDBSUJKOSA-N 2 2 283.416 0.539 20 0 CCADLP O=C(N[C@@H]1CC[NH2+]C1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000113370363 411703436 /nfs/dbraw/zinc/70/34/36/411703436.db2.gz RAAKXQHDSMFATP-CYBMUJFWSA-N 2 2 289.383 0.712 20 0 CCADLP O=C(Nc1cnc2c(c1)C[NH2+]CC2)[C@H]1CSC[NH2+]1 ZINC000120200683 411704756 /nfs/dbraw/zinc/70/47/56/411704756.db2.gz UQFBEEWGZSADSL-LLVKDONJSA-N 2 2 264.354 0.328 20 0 CCADLP CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1[NH3+] ZINC000122435208 411707042 /nfs/dbraw/zinc/70/70/42/411707042.db2.gz CWSSNGFOAJPONJ-VXGBXAGGSA-N 2 2 250.346 0.859 20 0 CCADLP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NC1CCOCC1 ZINC000062769215 411687254 /nfs/dbraw/zinc/68/72/54/411687254.db2.gz GWTVTNRFRVUMRL-DZGCQCFKSA-N 2 2 295.427 0.746 20 0 CCADLP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NC1CCOCC1 ZINC000062769215 411687260 /nfs/dbraw/zinc/68/72/60/411687260.db2.gz GWTVTNRFRVUMRL-DZGCQCFKSA-N 2 2 295.427 0.746 20 0 CCADLP CCn1ccnc1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150872 411694647 /nfs/dbraw/zinc/69/46/47/411694647.db2.gz UZFFJFPUXQZPBH-UHFFFAOYSA-N 2 2 251.378 0.240 20 0 CCADLP CCn1ccnc1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150872 411694652 /nfs/dbraw/zinc/69/46/52/411694652.db2.gz UZFFJFPUXQZPBH-UHFFFAOYSA-N 2 2 251.378 0.240 20 0 CCADLP CCCCc1noc(C[N@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000071150317 411695170 /nfs/dbraw/zinc/69/51/70/411695170.db2.gz IWSJXGRHQQJKBD-UHFFFAOYSA-N 2 2 281.404 0.749 20 0 CCADLP CCCCc1noc(C[N@@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000071150317 411695171 /nfs/dbraw/zinc/69/51/71/411695171.db2.gz IWSJXGRHQQJKBD-UHFFFAOYSA-N 2 2 281.404 0.749 20 0 CCADLP CC[C@]1(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CCC[NH2+]1 ZINC000214458134 411734108 /nfs/dbraw/zinc/73/41/08/411734108.db2.gz XKJWKTMFSCKWGS-GDBMZVCRSA-N 2 2 295.427 0.842 20 0 CCADLP CCNC(=O)C[NH+]1CCN(CCC[NH+](CC)CC)CC1 ZINC000338265306 411761976 /nfs/dbraw/zinc/76/19/76/411761976.db2.gz GZIGMHYGNYJIIU-UHFFFAOYSA-N 2 2 284.448 0.472 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CC[C@]2(O)CCOC2)n1C ZINC000404194637 411793037 /nfs/dbraw/zinc/79/30/37/411793037.db2.gz MEDNATSRXVIQIZ-ZDUSSCGKSA-N 2 2 268.361 0.117 20 0 CCADLP CCN1C[C@H](C[NH2+]Cc2c[nH+]c(N(C)C)n2C)CC1=O ZINC000651999842 411972998 /nfs/dbraw/zinc/97/29/98/411972998.db2.gz UBPOZWOPGGLJQX-NSHDSACASA-N 2 2 279.388 0.444 20 0 CCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CC[C@]2(O)CCCOC2)C1 ZINC000652040409 411979087 /nfs/dbraw/zinc/97/90/87/411979087.db2.gz DFKQJJMSAUURNP-ZIAGYGMSSA-N 2 2 272.389 0.228 20 0 CCADLP COCC[N@H+]1CC[C@@H]([NH2+]CC[C@]2(O)CCCOC2)C1 ZINC000652040409 411979091 /nfs/dbraw/zinc/97/90/91/411979091.db2.gz DFKQJJMSAUURNP-ZIAGYGMSSA-N 2 2 272.389 0.228 20 0 CCADLP COc1ccc(NC(=O)C[N@H+](C)CCC[NH3+])cc1 ZINC000019834761 170883857 /nfs/dbraw/zinc/88/38/57/170883857.db2.gz ZGIZFZXIBSSDGP-UHFFFAOYSA-N 2 2 251.330 0.914 20 0 CCADLP COc1ccc(NC(=O)C[N@@H+](C)CCC[NH3+])cc1 ZINC000019834761 170883858 /nfs/dbraw/zinc/88/38/58/170883858.db2.gz ZGIZFZXIBSSDGP-UHFFFAOYSA-N 2 2 251.330 0.914 20 0 CCADLP Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)[C@H](C)[NH+](C)C)C2 ZINC000652086262 411986936 /nfs/dbraw/zinc/98/69/36/411986936.db2.gz RRFWNPIRRSSWEJ-CMPLNLGQSA-N 2 2 294.399 0.107 20 0 CCADLP C[C@H](CC(=O)N1CC[N@H+](CCO)C(C)(C)C1)n1cc[nH+]c1 ZINC000651845750 411945145 /nfs/dbraw/zinc/94/51/45/411945145.db2.gz VCEAKUZDOUOROQ-CYBMUJFWSA-N 2 2 294.399 0.749 20 0 CCADLP C[C@H](CC(=O)N1CC[N@@H+](CCO)C(C)(C)C1)n1cc[nH+]c1 ZINC000651845750 411945149 /nfs/dbraw/zinc/94/51/49/411945149.db2.gz VCEAKUZDOUOROQ-CYBMUJFWSA-N 2 2 294.399 0.749 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](Cc2ccc(O)cc2)CC1=O ZINC000651891206 411952989 /nfs/dbraw/zinc/95/29/89/411952989.db2.gz LVUIVCQZQWWNFO-UHFFFAOYSA-N 2 2 277.368 0.598 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](Cc2ccc(O)cc2)CC1=O ZINC000651891206 411952994 /nfs/dbraw/zinc/95/29/94/411952994.db2.gz LVUIVCQZQWWNFO-UHFFFAOYSA-N 2 2 277.368 0.598 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000652339841 412031701 /nfs/dbraw/zinc/03/17/01/412031701.db2.gz PENSCXAECKRYKA-CQSZACIVSA-N 3 2 264.373 0.174 20 0 CCADLP COCCc1noc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1 ZINC000652351982 412032898 /nfs/dbraw/zinc/03/28/98/412032898.db2.gz QCMCNMCCBBNFBI-FZMZJTMJSA-N 2 2 280.372 0.819 20 0 CCADLP COCCc1noc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1 ZINC000652351982 412032899 /nfs/dbraw/zinc/03/28/99/412032899.db2.gz QCMCNMCCBBNFBI-FZMZJTMJSA-N 2 2 280.372 0.819 20 0 CCADLP C[C@H]1CCC[N@H+](Cc2nc(=O)n(C)[nH]2)[C@H]1CC[NH3+] ZINC000652356157 412035565 /nfs/dbraw/zinc/03/55/65/412035565.db2.gz USGZKQPZWNAFAG-UWVGGRQHSA-N 2 2 253.350 0.058 20 0 CCADLP C[C@H]1CCC[N@@H+](Cc2nc(=O)n(C)[nH]2)[C@H]1CC[NH3+] ZINC000652356157 412035569 /nfs/dbraw/zinc/03/55/69/412035569.db2.gz USGZKQPZWNAFAG-UWVGGRQHSA-N 2 2 253.350 0.058 20 0 CCADLP CC(C)C[N@H+](C)CCCNC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000652522526 412068371 /nfs/dbraw/zinc/06/83/71/412068371.db2.gz KZPVVOQQRCUDOM-HNNXBMFYSA-N 2 2 298.475 0.716 20 0 CCADLP CC(C)C[N@@H+](C)CCCNC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000652522526 412068373 /nfs/dbraw/zinc/06/83/73/412068373.db2.gz KZPVVOQQRCUDOM-HNNXBMFYSA-N 2 2 298.475 0.716 20 0 CCADLP C[C@H]1C[NH2+]CCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653046720 412200153 /nfs/dbraw/zinc/20/01/53/412200153.db2.gz LPFSLXSCNFAYRJ-NSHDSACASA-N 2 2 262.357 0.582 20 0 CCADLP CN(C(=O)Cc1cn2c([nH+]1)CCCC2)[C@@H]1CC[NH2+]C1 ZINC000653049883 412200821 /nfs/dbraw/zinc/20/08/21/412200821.db2.gz NPVDCCVOVRTUSU-GFCCVEGCSA-N 2 2 262.357 0.582 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1nc2ccccc2[nH]1 ZINC000653056164 412204114 /nfs/dbraw/zinc/20/41/14/412204114.db2.gz WHOHRTNOXLEIFN-VIFPVBQESA-N 2 2 261.329 0.780 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCn2c3ccccc3nc21 ZINC000653057838 412205013 /nfs/dbraw/zinc/20/50/13/412205013.db2.gz RZKXRPCAKBKTEI-LLVKDONJSA-N 2 2 287.367 0.662 20 0 CCADLP CCc1nnc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)s1 ZINC000653057781 412205854 /nfs/dbraw/zinc/20/58/54/412205854.db2.gz QDPPNSBYVGDVLU-ZETCQYMHSA-N 2 2 257.363 0.318 20 0 CCADLP C[C@@H]1SCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@H]1C ZINC000653092714 412215411 /nfs/dbraw/zinc/21/54/11/412215411.db2.gz JBFYCMXYBWWMFO-DCAQKATOSA-N 2 2 259.419 0.618 20 0 CCADLP COc1cc(CN(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)ccc1O ZINC000653064758 412207960 /nfs/dbraw/zinc/20/79/60/412207960.db2.gz DIELAIYCQSJJAR-GFCCVEGCSA-N 2 2 295.383 0.638 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1COc2ccccc2C1 ZINC000653072865 412208265 /nfs/dbraw/zinc/20/82/65/412208265.db2.gz IOPYGKKLUHBMTF-QWHCGFSZSA-N 2 2 277.368 0.385 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H](O)C1CCCCC1 ZINC000653072360 412208519 /nfs/dbraw/zinc/20/85/19/412208519.db2.gz OZMOPWMLNUANCU-QWHCGFSZSA-N 2 2 271.405 0.323 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000653079525 412211262 /nfs/dbraw/zinc/21/12/62/412211262.db2.gz CJJGGLLFQXMSNL-LLVKDONJSA-N 2 2 279.388 0.992 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cnc(C2CC2)nc1 ZINC000653086545 412213342 /nfs/dbraw/zinc/21/33/42/412213342.db2.gz VEUZWUXKZJFVQZ-LLVKDONJSA-N 2 2 263.345 0.572 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000653088840 412214173 /nfs/dbraw/zinc/21/41/73/412214173.db2.gz OMQZYVIUYBYRFM-LBPRGKRZSA-N 2 2 288.355 0.689 20 0 CCADLP CC(C)O[C@H]1CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653198622 412257158 /nfs/dbraw/zinc/25/71/58/412257158.db2.gz FOLNUAWFMFNOOU-STQMWFEESA-N 2 2 271.405 0.681 20 0 CCADLP C[NH2+]Cc1ccccc1CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653214828 412260004 /nfs/dbraw/zinc/26/00/04/412260004.db2.gz CQYYEYZDGNHHQA-CQSZACIVSA-N 3 2 278.400 0.301 20 0 CCADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H]2CC(=O)NC2=O)CC1 ZINC000653280987 412278707 /nfs/dbraw/zinc/27/87/07/412278707.db2.gz SHZLOBZJFLRVPO-LBPRGKRZSA-N 2 2 289.335 0.648 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000653096669 412216808 /nfs/dbraw/zinc/21/68/08/412216808.db2.gz SESDWJGOCHHCOE-YVECIDJPSA-N 2 2 283.416 0.585 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000653104434 412220387 /nfs/dbraw/zinc/22/03/87/412220387.db2.gz HPSGZVKDXGHRGE-BYNSBNAKSA-N 2 2 273.380 0.720 20 0 CCADLP CC(C)C[NH+]1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653106204 412220619 /nfs/dbraw/zinc/22/06/19/412220619.db2.gz XBUBMLXHRZQMCG-ZDUSSCGKSA-N 3 2 270.421 0.066 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCn1cnc2ccccc21 ZINC000653108415 412221757 /nfs/dbraw/zinc/22/17/57/412221757.db2.gz WWVVVXONBXNLJY-GFCCVEGCSA-N 2 2 289.383 0.432 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000653109613 412221898 /nfs/dbraw/zinc/22/18/98/412221898.db2.gz HKJHEEWLPUSQPF-AWEZNQCLSA-N 3 2 284.448 0.646 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000653109613 412221902 /nfs/dbraw/zinc/22/19/02/412221902.db2.gz HKJHEEWLPUSQPF-AWEZNQCLSA-N 3 2 284.448 0.646 20 0 CCADLP C[C@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)C[NH+]1CCCC1 ZINC000653111111 412223998 /nfs/dbraw/zinc/22/39/98/412223998.db2.gz FDQRNKZLAOYARJ-CHWSQXEVSA-N 3 2 270.421 0.114 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653114069 412225446 /nfs/dbraw/zinc/22/54/46/412225446.db2.gz XCWYQIOUQZSAKZ-KBPBESRZSA-N 3 2 284.448 0.502 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653114069 412225449 /nfs/dbraw/zinc/22/54/49/412225449.db2.gz XCWYQIOUQZSAKZ-KBPBESRZSA-N 3 2 284.448 0.502 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)[NH+]1CCOCC1 ZINC000653117799 412228522 /nfs/dbraw/zinc/22/85/22/412228522.db2.gz WEIAQKMRLKJSEZ-NEBZKDRISA-N 2 2 295.427 0.742 20 0 CCADLP Cc1cnc([C@@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C)s1 ZINC000653123402 412232940 /nfs/dbraw/zinc/23/29/40/412232940.db2.gz XLAXHHWPQYWPLF-ZJUUUORDSA-N 2 2 270.402 0.908 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C[N@@H+]1C1CC1 ZINC000653123700 412233116 /nfs/dbraw/zinc/23/31/16/412233116.db2.gz DQEPMULRJTYNLP-NQBHXWOUSA-N 3 2 268.405 0.007 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C[N@H+]1C1CC1 ZINC000653123700 412233119 /nfs/dbraw/zinc/23/31/19/412233119.db2.gz DQEPMULRJTYNLP-NQBHXWOUSA-N 3 2 268.405 0.007 20 0 CCADLP CO[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC[C@H]1C ZINC000653152545 412245497 /nfs/dbraw/zinc/24/54/97/412245497.db2.gz QFDPIYGDAVEPHZ-GRYCIOLGSA-N 2 2 257.378 0.149 20 0 CCADLP COCC[C@H]1CCCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653159383 412246454 /nfs/dbraw/zinc/24/64/54/412246454.db2.gz AUMZSJYVFDWBCX-KGLIPLIRSA-N 2 2 285.432 0.931 20 0 CCADLP CCC(=O)N[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000653526654 412311686 /nfs/dbraw/zinc/31/16/86/412311686.db2.gz JUVUFVOEUNVNHM-STQMWFEESA-N 2 2 271.405 0.290 20 0 CCADLP CCC(=O)N[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)CC)C1 ZINC000653526654 412311687 /nfs/dbraw/zinc/31/16/87/412311687.db2.gz JUVUFVOEUNVNHM-STQMWFEESA-N 2 2 271.405 0.290 20 0 CCADLP CCC(=O)N[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000653526654 412311690 /nfs/dbraw/zinc/31/16/90/412311690.db2.gz JUVUFVOEUNVNHM-STQMWFEESA-N 2 2 271.405 0.290 20 0 CCADLP CCC(=O)N[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000653526654 412311693 /nfs/dbraw/zinc/31/16/93/412311693.db2.gz JUVUFVOEUNVNHM-STQMWFEESA-N 2 2 271.405 0.290 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(OCCCO)CC1 ZINC000653567953 412319170 /nfs/dbraw/zinc/31/91/70/412319170.db2.gz FYKPHFRCDAMILE-CYBMUJFWSA-N 2 2 274.405 0.162 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(OCCCO)CC1 ZINC000653567953 412319172 /nfs/dbraw/zinc/31/91/72/412319172.db2.gz FYKPHFRCDAMILE-CYBMUJFWSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C(F)F)C1 ZINC000653593579 412322817 /nfs/dbraw/zinc/32/28/17/412322817.db2.gz GKKLLNHQHYXPSQ-MNOVXSKESA-N 2 2 266.332 0.513 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C(F)F)C1 ZINC000653593579 412322819 /nfs/dbraw/zinc/32/28/19/412322819.db2.gz GKKLLNHQHYXPSQ-MNOVXSKESA-N 2 2 266.332 0.513 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000653593579 412322823 /nfs/dbraw/zinc/32/28/23/412322823.db2.gz GKKLLNHQHYXPSQ-MNOVXSKESA-N 2 2 266.332 0.513 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000653593579 412322828 /nfs/dbraw/zinc/32/28/28/412322828.db2.gz GKKLLNHQHYXPSQ-MNOVXSKESA-N 2 2 266.332 0.513 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](OC(F)F)C1 ZINC000653611337 412325006 /nfs/dbraw/zinc/32/50/06/412325006.db2.gz UZCHXZJDFCLYNQ-RYUDHWBXSA-N 2 2 296.358 0.629 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](OC(F)F)C1 ZINC000653611337 412325009 /nfs/dbraw/zinc/32/50/09/412325009.db2.gz UZCHXZJDFCLYNQ-RYUDHWBXSA-N 2 2 296.358 0.629 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000653611337 412325012 /nfs/dbraw/zinc/32/50/12/412325012.db2.gz UZCHXZJDFCLYNQ-RYUDHWBXSA-N 2 2 296.358 0.629 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@]2(CC2(F)F)C1 ZINC000653780136 412346627 /nfs/dbraw/zinc/34/66/27/412346627.db2.gz XZIYNMRZWCOQDT-NWDGAFQWSA-N 2 2 278.343 0.657 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@]2(CC2(F)F)C1 ZINC000653780136 412346628 /nfs/dbraw/zinc/34/66/28/412346628.db2.gz XZIYNMRZWCOQDT-NWDGAFQWSA-N 2 2 278.343 0.657 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000653780136 412346630 /nfs/dbraw/zinc/34/66/30/412346630.db2.gz XZIYNMRZWCOQDT-NWDGAFQWSA-N 2 2 278.343 0.657 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000653780136 412346631 /nfs/dbraw/zinc/34/66/31/412346631.db2.gz XZIYNMRZWCOQDT-NWDGAFQWSA-N 2 2 278.343 0.657 20 0 CCADLP CC1(C)C[NH+](CC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000654749340 412435946 /nfs/dbraw/zinc/43/59/46/412435946.db2.gz KLSBLFWXFGHSDO-KBPBESRZSA-N 2 2 295.427 0.386 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654428053 412395101 /nfs/dbraw/zinc/39/51/01/412395101.db2.gz MHGDESUIQZSICI-MELADBBJSA-N 2 2 298.431 0.347 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654428053 412395104 /nfs/dbraw/zinc/39/51/04/412395104.db2.gz MHGDESUIQZSICI-MELADBBJSA-N 2 2 298.431 0.347 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000654653102 412423753 /nfs/dbraw/zinc/42/37/53/412423753.db2.gz XLMHJUIECXNAPI-LBPRGKRZSA-N 2 2 269.389 0.165 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000654653102 412423755 /nfs/dbraw/zinc/42/37/55/412423755.db2.gz XLMHJUIECXNAPI-LBPRGKRZSA-N 2 2 269.389 0.165 20 0 CCADLP C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000654653102 412423756 /nfs/dbraw/zinc/42/37/56/412423756.db2.gz XLMHJUIECXNAPI-LBPRGKRZSA-N 2 2 269.389 0.165 20 0 CCADLP C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000654653102 412423759 /nfs/dbraw/zinc/42/37/59/412423759.db2.gz XLMHJUIECXNAPI-LBPRGKRZSA-N 2 2 269.389 0.165 20 0 CCADLP [NH3+][C@@H]1CN(C(=O)NCCCNc2cccc[nH+]2)CC[C@H]1F ZINC000659436844 413498088 /nfs/dbraw/zinc/49/80/88/413498088.db2.gz RCXGFWJYAJVSQC-VXGBXAGGSA-N 2 2 295.362 0.964 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659437171 413498117 /nfs/dbraw/zinc/49/81/17/413498117.db2.gz DGGMVGRSLXWWEF-GMTAPVOTSA-N 2 2 269.324 0.352 20 0 CCADLP CC(C)[C@H]([NH3+])CCNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000659450945 413508554 /nfs/dbraw/zinc/50/85/54/413508554.db2.gz IXQMOJUSQQGBCX-CHWSQXEVSA-N 2 2 286.420 0.380 20 0 CCADLP CC(C)[C@H]([NH3+])CCNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000659450945 413508564 /nfs/dbraw/zinc/50/85/64/413508564.db2.gz IXQMOJUSQQGBCX-CHWSQXEVSA-N 2 2 286.420 0.380 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCC1([NH3+])CCCC1 ZINC000659451615 413509996 /nfs/dbraw/zinc/50/99/96/413509996.db2.gz TUHUEEANDSUMJB-LBPRGKRZSA-N 2 2 284.404 0.278 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCC1([NH3+])CCCC1 ZINC000659451615 413510004 /nfs/dbraw/zinc/51/00/04/413510004.db2.gz TUHUEEANDSUMJB-LBPRGKRZSA-N 2 2 284.404 0.278 20 0 CCADLP C[C@H](NC(=O)NCC1([NH3+])CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000659450546 413510678 /nfs/dbraw/zinc/51/06/78/413510678.db2.gz PEOXGGBPPULHKA-STQMWFEESA-N 2 2 298.431 0.666 20 0 CCADLP C[C@@H](NC(=O)N(C)CC(C)(C)[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000659450079 413510757 /nfs/dbraw/zinc/51/07/57/413510757.db2.gz GPTGJOWVGOLIGG-NEPJUHHUSA-N 2 2 286.420 0.474 20 0 CCADLP Cc1cccn2cc(CCNC(=O)N[C@H]3CC[NH2+]C3)[nH+]c12 ZINC000659463253 413520560 /nfs/dbraw/zinc/52/05/60/413520560.db2.gz FUHMMNRNETXGGP-LBPRGKRZSA-N 2 2 287.367 0.846 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)NCc1c[nH+]ccc1OC ZINC000659494594 413548260 /nfs/dbraw/zinc/54/82/60/413548260.db2.gz BDLUYKLXFAAXBE-SECBINFHSA-N 2 2 252.318 0.497 20 0 CCADLP C[C@H](NC(=O)NC[C@@H]1CCCC[NH2+]1)c1[nH+]ccn1C ZINC000659508209 413567188 /nfs/dbraw/zinc/56/71/88/413567188.db2.gz ONVXILWZKBDEPK-QWRGUYRKSA-N 2 2 265.361 0.922 20 0 CCADLP CCCC[C@@H](C[NH3+])NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659524932 413598579 /nfs/dbraw/zinc/59/85/79/413598579.db2.gz XGFCWHMXTWSZQE-UONOGXRCSA-N 2 2 298.431 0.620 20 0 CCADLP C[C@H](NC(=O)N[C@H]1CC[C@H](C[NH3+])C1)c1[nH+]ccn1C ZINC000659553163 413645364 /nfs/dbraw/zinc/64/53/64/413645364.db2.gz HKMXPVFCAPCPJU-DCAQKATOSA-N 2 2 265.361 0.908 20 0 CCADLP C[C@H](NC(=O)NC[C@H]([NH3+])C1CC1)c1[nH+]ccn1C ZINC000659529168 413608520 /nfs/dbraw/zinc/60/85/20/413608520.db2.gz ZPUYHGJVAZHHCU-WPRPVWTQSA-N 2 2 251.334 0.518 20 0 CCADLP C[C@H](NC(=O)N[C@@H]1CCC[NH2+]CC1)c1[nH+]ccn1C ZINC000659536307 413622183 /nfs/dbraw/zinc/62/21/83/413622183.db2.gz NCOHZEIPTXEBNU-WDEREUQCSA-N 2 2 265.361 0.922 20 0 CCADLP [NH3+][C@@H]1CCC[C@H](NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000659536527 413622998 /nfs/dbraw/zinc/62/29/98/413622998.db2.gz IHMSCPQFXTWMFH-HZSPNIEDSA-N 2 2 296.415 0.372 20 0 CCADLP C[NH2+][C@H]1CCCN(C(=O)N[C@H](C)c2[nH+]ccn2C)C1 ZINC000659626663 413723258 /nfs/dbraw/zinc/72/32/58/413723258.db2.gz CYGGTXUXPGWJJP-MNOVXSKESA-N 2 2 265.361 0.875 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000659635232 413736312 /nfs/dbraw/zinc/73/63/12/413736312.db2.gz BRFICDNRYZGPGP-WDEREUQCSA-N 2 2 265.361 0.907 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc(C[NH3+])cc1 ZINC000037008662 172867028 /nfs/dbraw/zinc/86/70/28/172867028.db2.gz IVHWQIGSFWXFPZ-GFCCVEGCSA-N 2 2 277.368 0.596 20 0 CCADLP CCN1CC[C@H]([N@H+](C)C[C@@H]2CCC[NH+](C)C2)C1=O ZINC000659948308 413994899 /nfs/dbraw/zinc/99/48/99/413994899.db2.gz PJSDTSCXQIHJJQ-OLZOCXBDSA-N 2 2 253.390 0.881 20 0 CCADLP CCN1CC[C@H]([N@@H+](C)C[C@@H]2CCC[NH+](C)C2)C1=O ZINC000659948308 413994904 /nfs/dbraw/zinc/99/49/04/413994904.db2.gz PJSDTSCXQIHJJQ-OLZOCXBDSA-N 2 2 253.390 0.881 20 0 CCADLP CCN1CC[C@H]([NH+](C)C[C@@H]2CCC[N@H+](C)C2)C1=O ZINC000659948308 413994911 /nfs/dbraw/zinc/99/49/11/413994911.db2.gz PJSDTSCXQIHJJQ-OLZOCXBDSA-N 2 2 253.390 0.881 20 0 CCADLP CCN1CC[C@H]([NH+](C)C[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC000659948308 413994916 /nfs/dbraw/zinc/99/49/16/413994916.db2.gz PJSDTSCXQIHJJQ-OLZOCXBDSA-N 2 2 253.390 0.881 20 0 CCADLP CO[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)[C@H]1CCOC1 ZINC000659956900 414001851 /nfs/dbraw/zinc/00/18/51/414001851.db2.gz VVBDUTWDLUIZKC-HRCADAONSA-N 2 2 298.427 0.692 20 0 CCADLP CO[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)[C@H]1CCOC1 ZINC000659956900 414001857 /nfs/dbraw/zinc/00/18/57/414001857.db2.gz VVBDUTWDLUIZKC-HRCADAONSA-N 2 2 298.427 0.692 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)CCO1 ZINC000660120929 414125824 /nfs/dbraw/zinc/12/58/24/414125824.db2.gz QNTQBSIIQYUWLJ-YUELXQCFSA-N 2 2 295.427 0.968 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)CN1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000660127540 414135235 /nfs/dbraw/zinc/13/52/35/414135235.db2.gz BGKKCWVDCCWUBR-KGLIPLIRSA-N 2 2 280.416 0.911 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)CN1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000660127540 414135245 /nfs/dbraw/zinc/13/52/45/414135245.db2.gz BGKKCWVDCCWUBR-KGLIPLIRSA-N 2 2 280.416 0.911 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2nccn2C)C1 ZINC000660127540 414135258 /nfs/dbraw/zinc/13/52/58/414135258.db2.gz BGKKCWVDCCWUBR-KGLIPLIRSA-N 2 2 280.416 0.911 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2nccn2C)C1 ZINC000660127540 414135270 /nfs/dbraw/zinc/13/52/70/414135270.db2.gz BGKKCWVDCCWUBR-KGLIPLIRSA-N 2 2 280.416 0.911 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000660127540 414135278 /nfs/dbraw/zinc/13/52/78/414135278.db2.gz BGKKCWVDCCWUBR-KGLIPLIRSA-N 2 2 280.416 0.911 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000660127540 414135285 /nfs/dbraw/zinc/13/52/85/414135285.db2.gz BGKKCWVDCCWUBR-KGLIPLIRSA-N 2 2 280.416 0.911 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@]1(C)C(N)=O ZINC000660277013 414222276 /nfs/dbraw/zinc/22/22/76/414222276.db2.gz UFLONKDJXJGCFJ-GXTWGEPZSA-N 2 2 271.405 0.417 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@]1(C)C(N)=O ZINC000660277013 414222283 /nfs/dbraw/zinc/22/22/83/414222283.db2.gz UFLONKDJXJGCFJ-GXTWGEPZSA-N 2 2 271.405 0.417 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000660277013 414222290 /nfs/dbraw/zinc/22/22/90/414222290.db2.gz UFLONKDJXJGCFJ-GXTWGEPZSA-N 2 2 271.405 0.417 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@]1(C)C(N)=O ZINC000660277013 414222295 /nfs/dbraw/zinc/22/22/95/414222295.db2.gz UFLONKDJXJGCFJ-GXTWGEPZSA-N 2 2 271.405 0.417 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000660332496 414249730 /nfs/dbraw/zinc/24/97/30/414249730.db2.gz PGHTXYJBBXVHKC-NSHDSACASA-N 2 2 280.359 0.780 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000660332496 414249740 /nfs/dbraw/zinc/24/97/40/414249740.db2.gz PGHTXYJBBXVHKC-NSHDSACASA-N 2 2 280.359 0.780 20 0 CCADLP O=C1C[C@H](C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CN1 ZINC000660475066 414343150 /nfs/dbraw/zinc/34/31/50/414343150.db2.gz QGLZKLUBUACQCW-KBPBESRZSA-N 2 2 281.400 0.309 20 0 CCADLP O=C1C[C@H](C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CN1 ZINC000660475066 414343155 /nfs/dbraw/zinc/34/31/55/414343155.db2.gz QGLZKLUBUACQCW-KBPBESRZSA-N 2 2 281.400 0.309 20 0 CCADLP OCC1(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)COC1 ZINC000660474501 414346002 /nfs/dbraw/zinc/34/60/02/414346002.db2.gz KPWVKAFEAIYDFF-CQSZACIVSA-N 2 2 284.400 0.182 20 0 CCADLP OCC1(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)COC1 ZINC000660474501 414346007 /nfs/dbraw/zinc/34/60/07/414346007.db2.gz KPWVKAFEAIYDFF-CQSZACIVSA-N 2 2 284.400 0.182 20 0 CCADLP C[C@@H]1NC(=O)N(CC[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000660665098 414431501 /nfs/dbraw/zinc/43/15/01/414431501.db2.gz UDUBBWBIODAHAM-SWLSCSKDSA-N 2 2 294.399 0.344 20 0 CCADLP C[C@@H]1NC(=O)N(CC[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000660665098 414431506 /nfs/dbraw/zinc/43/15/06/414431506.db2.gz UDUBBWBIODAHAM-SWLSCSKDSA-N 2 2 294.399 0.344 20 0 CCADLP C[C@@H]1NC(=O)N(CC[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)C1=O ZINC000660665098 414431508 /nfs/dbraw/zinc/43/15/08/414431508.db2.gz UDUBBWBIODAHAM-SWLSCSKDSA-N 2 2 294.399 0.344 20 0 CCADLP C[C@@H]1NC(=O)N(CC[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000660665098 414431513 /nfs/dbraw/zinc/43/15/13/414431513.db2.gz UDUBBWBIODAHAM-SWLSCSKDSA-N 2 2 294.399 0.344 20 0 CCADLP COCCOCC[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660696311 414446250 /nfs/dbraw/zinc/44/62/50/414446250.db2.gz JKAYGQNOYSONDO-UHFFFAOYSA-N 2 2 288.432 0.722 20 0 CCADLP C[C@@H]1C[N@H+](CCN2C[C@H](C)[NH+](CCO)C[C@H]2C)C[C@H](C)O1 ZINC000660822213 414489841 /nfs/dbraw/zinc/48/98/41/414489841.db2.gz BIFZDJHFJARSKG-QXSJWSMHSA-N 2 2 299.459 0.483 20 0 CCADLP C[C@@H]1C[NH+](CCN2C[C@H](C)[N@H+](CCO)C[C@H]2C)C[C@H](C)O1 ZINC000660822213 414489843 /nfs/dbraw/zinc/48/98/43/414489843.db2.gz BIFZDJHFJARSKG-QXSJWSMHSA-N 2 2 299.459 0.483 20 0 CCADLP C[C@@H]1C[NH+](CCN2C[C@H](C)[N@@H+](CCO)C[C@H]2C)C[C@H](C)O1 ZINC000660822213 414489845 /nfs/dbraw/zinc/48/98/45/414489845.db2.gz BIFZDJHFJARSKG-QXSJWSMHSA-N 2 2 299.459 0.483 20 0 CCADLP C[C@@H](CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)[NH+](C)C ZINC000661276499 414588284 /nfs/dbraw/zinc/58/82/84/414588284.db2.gz ZBIDOQNQMNYSHL-STQMWFEESA-N 2 2 284.404 0.053 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCO[C@](C)(C3CC3)C2)CC1 ZINC000661167315 414571652 /nfs/dbraw/zinc/57/16/52/414571652.db2.gz IIUGKLNEMSXMKB-HNNXBMFYSA-N 2 2 281.400 0.261 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCO[C@](C)(C3CC3)C2)CC1 ZINC000661167315 414571656 /nfs/dbraw/zinc/57/16/56/414571656.db2.gz IIUGKLNEMSXMKB-HNNXBMFYSA-N 2 2 281.400 0.261 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000661205605 414577021 /nfs/dbraw/zinc/57/70/21/414577021.db2.gz ZSCICWGXRVHPMY-LLVKDONJSA-N 2 2 277.372 0.470 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000661205605 414577023 /nfs/dbraw/zinc/57/70/23/414577023.db2.gz ZSCICWGXRVHPMY-LLVKDONJSA-N 2 2 277.372 0.470 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661595718 414645732 /nfs/dbraw/zinc/64/57/32/414645732.db2.gz DQJQJGWYVCQCQU-YPMHNXCESA-N 2 2 262.357 0.563 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661595718 414645735 /nfs/dbraw/zinc/64/57/35/414645735.db2.gz DQJQJGWYVCQCQU-YPMHNXCESA-N 2 2 262.357 0.563 20 0 CCADLP CC(C)OCCN1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662262547 414701874 /nfs/dbraw/zinc/70/18/74/414701874.db2.gz HIIKATCCOMLCCC-HNNXBMFYSA-N 2 2 297.443 0.550 20 0 CCADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662264926 414702877 /nfs/dbraw/zinc/70/28/77/414702877.db2.gz SAPFFAQGAJBVEI-CABCVRRESA-N 3 2 285.432 0.408 20 0 CCADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662264926 414702878 /nfs/dbraw/zinc/70/28/78/414702878.db2.gz SAPFFAQGAJBVEI-CABCVRRESA-N 3 2 285.432 0.408 20 0 CCADLP Cc1nnc([C@H](C)[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)[nH]1 ZINC000662274227 414704012 /nfs/dbraw/zinc/70/40/12/414704012.db2.gz SFNVKGNJUGQKBD-CMPLNLGQSA-N 2 2 279.388 0.861 20 0 CCADLP Cc1nnc([C@H](C)[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)[nH]1 ZINC000662274227 414704013 /nfs/dbraw/zinc/70/40/13/414704013.db2.gz SFNVKGNJUGQKBD-CMPLNLGQSA-N 2 2 279.388 0.861 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662274867 414704356 /nfs/dbraw/zinc/70/43/56/414704356.db2.gz YBBOJRUECUBOGD-ILXRZTDVSA-N 3 2 267.417 0.686 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662274867 414704357 /nfs/dbraw/zinc/70/43/57/414704357.db2.gz YBBOJRUECUBOGD-ILXRZTDVSA-N 3 2 267.417 0.686 20 0 CCADLP Cn1ccnc1C[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662276477 414704389 /nfs/dbraw/zinc/70/43/89/414704389.db2.gz JNRGXPIWQPDOJI-NSHDSACASA-N 2 2 250.346 0.373 20 0 CCADLP Cn1ccnc1C[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662276477 414704390 /nfs/dbraw/zinc/70/43/90/414704390.db2.gz JNRGXPIWQPDOJI-NSHDSACASA-N 2 2 250.346 0.373 20 0 CCADLP CC(C)[C@@H](C[NH2+]C1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000040770031 174399248 /nfs/dbraw/zinc/39/92/48/174399248.db2.gz DFVPJKYWEXYVMY-MRXNPFEDSA-N 3 2 282.476 0.942 20 0 CCADLP C([C@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000662275709 414704613 /nfs/dbraw/zinc/70/46/13/414704613.db2.gz HDXCITGIUYZTQI-JHJVBQTASA-N 3 2 251.374 0.191 20 0 CCADLP C([C@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000662275709 414704614 /nfs/dbraw/zinc/70/46/14/414704614.db2.gz HDXCITGIUYZTQI-JHJVBQTASA-N 3 2 251.374 0.191 20 0 CCADLP CC(C)CN1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1=O ZINC000662279032 414704899 /nfs/dbraw/zinc/70/48/99/414704899.db2.gz OWVCJVHQAOEESB-CYBMUJFWSA-N 2 2 281.400 0.308 20 0 CCADLP CC(C)CN1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1=O ZINC000662279032 414704900 /nfs/dbraw/zinc/70/49/00/414704900.db2.gz OWVCJVHQAOEESB-CYBMUJFWSA-N 2 2 281.400 0.308 20 0 CCADLP Cc1cc(C2CC[NH+](C[C@H]3C[NH2+]CCO3)CC2)[nH]n1 ZINC000662278807 414705214 /nfs/dbraw/zinc/70/52/14/414705214.db2.gz AZGOBNAGGQJOLG-CYBMUJFWSA-N 2 2 264.373 0.886 20 0 CCADLP Cc1cc(C2CC[NH+](C[C@H]3C[NH2+]CCO3)CC2)n[nH]1 ZINC000662278807 414705215 /nfs/dbraw/zinc/70/52/15/414705215.db2.gz AZGOBNAGGQJOLG-CYBMUJFWSA-N 2 2 264.373 0.886 20 0 CCADLP C[C@@H]1CCC[C@@H](NC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)[C@H]1C ZINC000662286723 414706524 /nfs/dbraw/zinc/70/65/24/414706524.db2.gz ZRMMLJKGYPWBIN-HZSPNIEDSA-N 2 2 297.443 0.631 20 0 CCADLP Cc1cccc(NC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)c1C ZINC000662285837 414706658 /nfs/dbraw/zinc/70/66/58/414706658.db2.gz JUFJDZIKYOWPJG-UHFFFAOYSA-N 2 2 291.395 0.946 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000662286124 414706719 /nfs/dbraw/zinc/70/67/19/414706719.db2.gz OIRDZZWWKYFLPQ-TUAOUCFPSA-N 2 2 258.387 0.181 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000662286124 414706720 /nfs/dbraw/zinc/70/67/20/414706720.db2.gz OIRDZZWWKYFLPQ-TUAOUCFPSA-N 2 2 258.387 0.181 20 0 CCADLP C[C@H]1CCCC[C@@H]1N(C)C(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662287029 414706777 /nfs/dbraw/zinc/70/67/77/414706777.db2.gz QFWFOQUWHOWDMI-KBPBESRZSA-N 2 2 297.443 0.728 20 0 CCADLP Cc1nc(C)c(C[NH2+]C2(CO)CC[NH2+]CC2)s1 ZINC000662287176 414706846 /nfs/dbraw/zinc/70/68/46/414706846.db2.gz SBGYCTZJHOOMIW-UHFFFAOYSA-N 2 2 255.387 0.964 20 0 CCADLP C[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@H](C)O1 ZINC000661853235 414681257 /nfs/dbraw/zinc/68/12/57/414681257.db2.gz PLZKPWVUIPWBQC-MBNYWOFBSA-N 2 2 256.390 0.941 20 0 CCADLP C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@H](C)O1 ZINC000661853235 414681258 /nfs/dbraw/zinc/68/12/58/414681258.db2.gz PLZKPWVUIPWBQC-MBNYWOFBSA-N 2 2 256.390 0.941 20 0 CCADLP C[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C[C@H](C)O1 ZINC000661853235 414681259 /nfs/dbraw/zinc/68/12/59/414681259.db2.gz PLZKPWVUIPWBQC-MBNYWOFBSA-N 2 2 256.390 0.941 20 0 CCADLP C[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C[C@H](C)O1 ZINC000661853235 414681260 /nfs/dbraw/zinc/68/12/60/414681260.db2.gz PLZKPWVUIPWBQC-MBNYWOFBSA-N 2 2 256.390 0.941 20 0 CCADLP Cc1cncc(CC[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)n1 ZINC000662148491 414693351 /nfs/dbraw/zinc/69/33/51/414693351.db2.gz KYGGDPXCGUFYLW-INIZCTEOSA-N 2 2 290.411 0.859 20 0 CCADLP Cc1cncc(CC[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)n1 ZINC000662148491 414693352 /nfs/dbraw/zinc/69/33/52/414693352.db2.gz KYGGDPXCGUFYLW-INIZCTEOSA-N 2 2 290.411 0.859 20 0 CCADLP C[C@H](CN1CCOCC1)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662153196 414694113 /nfs/dbraw/zinc/69/41/13/414694113.db2.gz PKQUQTBZHDXWNV-GDBMZVCRSA-N 2 2 297.443 0.238 20 0 CCADLP C[C@H](CN1CCOCC1)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662153196 414694114 /nfs/dbraw/zinc/69/41/14/414694114.db2.gz PKQUQTBZHDXWNV-GDBMZVCRSA-N 2 2 297.443 0.238 20 0 CCADLP CNS(=O)(=O)c1ccc(C[N@H+](C)[C@H](C)C[NH3+])cc1 ZINC000662244280 414698858 /nfs/dbraw/zinc/69/88/58/414698858.db2.gz LRVKRISJLICKGH-SNVBAGLBSA-N 2 2 271.386 0.374 20 0 CCADLP CNS(=O)(=O)c1ccc(C[N@@H+](C)[C@H](C)C[NH3+])cc1 ZINC000662244280 414698859 /nfs/dbraw/zinc/69/88/59/414698859.db2.gz LRVKRISJLICKGH-SNVBAGLBSA-N 2 2 271.386 0.374 20 0 CCADLP COc1ccc([C@H](CO)[N@H+](C)C[C@H]2C[NH2+]CCO2)cc1 ZINC000662254118 414699597 /nfs/dbraw/zinc/69/95/97/414699597.db2.gz FVHPTOWIIBHPPU-CABCVRRESA-N 2 2 280.368 0.649 20 0 CCADLP COc1ccc([C@H](CO)[N@@H+](C)C[C@H]2C[NH2+]CCO2)cc1 ZINC000662254118 414699598 /nfs/dbraw/zinc/69/95/98/414699598.db2.gz FVHPTOWIIBHPPU-CABCVRRESA-N 2 2 280.368 0.649 20 0 CCADLP O=C(CC1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1)N1CCCC1 ZINC000662253442 414699683 /nfs/dbraw/zinc/69/96/83/414699683.db2.gz VYTLKLYEGJQNLJ-HNNXBMFYSA-N 2 2 295.427 0.699 20 0 CCADLP c1cc([C@H]2CCC[N@@H+](C[C@@H]3C[NH2+]CCO3)C2)n[nH]1 ZINC000662253901 414700134 /nfs/dbraw/zinc/70/01/34/414700134.db2.gz YIBWUKNDYQBAAK-RYUDHWBXSA-N 2 2 250.346 0.578 20 0 CCADLP c1cc([C@H]2CCC[N@H+](C[C@@H]3C[NH2+]CCO3)C2)n[nH]1 ZINC000662253901 414700135 /nfs/dbraw/zinc/70/01/35/414700135.db2.gz YIBWUKNDYQBAAK-RYUDHWBXSA-N 2 2 250.346 0.578 20 0 CCADLP OCC[N@H+](CCc1ccccc1)C[C@H]1C[NH2+]CCO1 ZINC000662255912 414700353 /nfs/dbraw/zinc/70/03/53/414700353.db2.gz SJYLOYWCGRDOAU-OAHLLOKOSA-N 2 2 264.369 0.512 20 0 CCADLP OCC[N@@H+](CCc1ccccc1)C[C@H]1C[NH2+]CCO1 ZINC000662255912 414700354 /nfs/dbraw/zinc/70/03/54/414700354.db2.gz SJYLOYWCGRDOAU-OAHLLOKOSA-N 2 2 264.369 0.512 20 0 CCADLP Cn1cc[nH+]c1[C@H]1N(C(=O)C[C@@H]2C[NH2+]CCO2)CC1(C)C ZINC000662756339 414766209 /nfs/dbraw/zinc/76/62/09/414766209.db2.gz IYFWWUVCJXFFLE-DGCLKSJQSA-N 2 2 292.383 0.708 20 0 CCADLP CC(C)[NH2+]CC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000662377725 414712934 /nfs/dbraw/zinc/71/29/34/414712934.db2.gz PEYKXVZNEFXLPR-UHFFFAOYSA-N 2 2 264.373 0.876 20 0 CCADLP CC(C)OC[C@H]([NH3+])C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000662377724 414713028 /nfs/dbraw/zinc/71/30/28/414713028.db2.gz PEAOUFXERGEMHM-ZDUSSCGKSA-N 2 2 294.399 0.630 20 0 CCADLP Cc1ccn([C@@H](C)CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000662430423 414717816 /nfs/dbraw/zinc/71/78/16/414717816.db2.gz WLQGTCJILSCBCP-QWHCGFSZSA-N 2 2 279.388 0.244 20 0 CCADLP Cc1ccn([C@@H](C)CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])n1 ZINC000662430423 414717817 /nfs/dbraw/zinc/71/78/17/414717817.db2.gz WLQGTCJILSCBCP-QWHCGFSZSA-N 2 2 279.388 0.244 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000662447580 414719162 /nfs/dbraw/zinc/71/91/62/414719162.db2.gz ALEMYQRIJIEPMG-GFCCVEGCSA-N 2 2 279.388 0.062 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662584071 414730305 /nfs/dbraw/zinc/73/03/05/414730305.db2.gz KYEJUAJIYOZAED-NDBYEHHHSA-N 2 2 271.405 0.598 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662584071 414730306 /nfs/dbraw/zinc/73/03/06/414730306.db2.gz KYEJUAJIYOZAED-NDBYEHHHSA-N 2 2 271.405 0.598 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc(N)c1 ZINC000662631935 414734825 /nfs/dbraw/zinc/73/48/25/414734825.db2.gz KSXCGGGQPOKGAV-UHFFFAOYSA-N 2 2 278.400 0.882 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc(N)c1 ZINC000662631935 414734826 /nfs/dbraw/zinc/73/48/26/414734826.db2.gz KSXCGGGQPOKGAV-UHFFFAOYSA-N 2 2 278.400 0.882 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000662632867 414735231 /nfs/dbraw/zinc/73/52/31/414735231.db2.gz VEQXMDRITJLMAV-ZBFHGGJFSA-N 3 2 298.475 0.894 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000662632867 414735232 /nfs/dbraw/zinc/73/52/32/414735232.db2.gz VEQXMDRITJLMAV-ZBFHGGJFSA-N 3 2 298.475 0.894 20 0 CCADLP [NH3+]Cc1ccc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)o1 ZINC000662656714 414737616 /nfs/dbraw/zinc/73/76/16/414737616.db2.gz SDTPOSQWBYYQDI-NSHDSACASA-N 2 2 279.340 0.285 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)C1(O)C[NH2+]C1)c1ccccc1Cl ZINC000662664839 414738712 /nfs/dbraw/zinc/73/87/12/414738712.db2.gz VQULCDJKUYPDEE-GFCCVEGCSA-N 2 2 297.786 0.393 20 0 CCADLP C[C@@H]1CCC[C@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)O1 ZINC000662667861 414739189 /nfs/dbraw/zinc/73/91/89/414739189.db2.gz ZITLDJFATALRHC-IJLUTSLNSA-N 2 2 257.378 0.339 20 0 CCADLP Cc1ccn2cc(CNC(=O)[C@H]3CCO[C@@H]3C[NH3+])[nH+]c2c1 ZINC000662689632 414741462 /nfs/dbraw/zinc/74/14/62/414741462.db2.gz UWYYOJWUDWIIPP-QWHCGFSZSA-N 2 2 288.351 0.623 20 0 CCADLP [NH3+]C1(CC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000662688811 414741495 /nfs/dbraw/zinc/74/14/95/414741495.db2.gz OYGUFKXZBANCQO-GFCCVEGCSA-N 2 2 267.373 0.191 20 0 CCADLP [NH3+]CCCCC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662704020 414743579 /nfs/dbraw/zinc/74/35/79/414743579.db2.gz RUWNEDLXIFMHSF-UHFFFAOYSA-N 2 2 283.416 0.686 20 0 CCADLP O=C(C[C@@H]1CCC[NH2+]1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662703002 414743928 /nfs/dbraw/zinc/74/39/28/414743928.db2.gz GGGKRSVFWXOBDI-HNNXBMFYSA-N 2 2 295.427 0.699 20 0 CCADLP Cc1cc(CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])cc(C)[nH+]1 ZINC000662818074 414815739 /nfs/dbraw/zinc/81/57/39/414815739.db2.gz OBOVQIVNJUCJRM-CHWSQXEVSA-N 2 2 263.341 0.678 20 0 CCADLP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1CSC[NH2+]1 ZINC000662840048 414833705 /nfs/dbraw/zinc/83/37/05/414833705.db2.gz XEWDGRUWYPHBBS-GRYCIOLGSA-N 2 2 269.414 0.782 20 0 CCADLP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1CSC[NH2+]1 ZINC000662840048 414833711 /nfs/dbraw/zinc/83/37/11/414833711.db2.gz XEWDGRUWYPHBBS-GRYCIOLGSA-N 2 2 269.414 0.782 20 0 CCADLP C[NH2+]CCCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662901622 414883195 /nfs/dbraw/zinc/88/31/95/414883195.db2.gz XAPGXLDGLPYHOV-OAHLLOKOSA-N 3 2 296.459 0.613 20 0 CCADLP C[NH2+]CCCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662901622 414883199 /nfs/dbraw/zinc/88/31/99/414883199.db2.gz XAPGXLDGLPYHOV-OAHLLOKOSA-N 3 2 296.459 0.613 20 0 CCADLP [NH3+][C@H](C(=O)N(CC[NH+]1CCOCC1)CC1CC1)C1CCC1 ZINC000662910095 414884659 /nfs/dbraw/zinc/88/46/59/414884659.db2.gz KIAMXPAUTQJXTA-HNNXBMFYSA-N 2 2 295.427 0.685 20 0 CCADLP C[C@@H](NC(=O)[C@@]1(C)CCC[NH2+]C1)c1[nH+]ccn1C ZINC000662934401 414902917 /nfs/dbraw/zinc/90/29/17/414902917.db2.gz NVEKMLOWUZCUCU-MFKMUULPSA-N 2 2 250.346 0.987 20 0 CCADLP CN(C)C(=O)C[NH+]1CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000663342895 415046935 /nfs/dbraw/zinc/04/69/35/415046935.db2.gz UBFZSDUWRLVZTM-UHFFFAOYSA-N 2 2 287.367 0.773 20 0 CCADLP c1nc(N2CCCC2)ncc1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663502650 415079847 /nfs/dbraw/zinc/07/98/47/415079847.db2.gz XRBNJLWGAHIZBC-UHFFFAOYSA-N 2 2 273.384 0.918 20 0 CCADLP COc1c(N)[nH+]cnc1N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000664196034 415277244 /nfs/dbraw/zinc/27/72/44/415277244.db2.gz PTWBUGGRVREDHT-NSHDSACASA-N 3 2 296.419 0.751 20 0 CCADLP COc1c(N)[nH+]cnc1N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000664196034 415277250 /nfs/dbraw/zinc/27/72/50/415277250.db2.gz PTWBUGGRVREDHT-NSHDSACASA-N 3 2 296.419 0.751 20 0 CCADLP COc1c(N)ncnc1N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000664196034 415277253 /nfs/dbraw/zinc/27/72/53/415277253.db2.gz PTWBUGGRVREDHT-NSHDSACASA-N 2 2 296.419 0.751 20 0 CCADLP COc1c(N)ncnc1N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000664196034 415277258 /nfs/dbraw/zinc/27/72/58/415277258.db2.gz PTWBUGGRVREDHT-NSHDSACASA-N 2 2 296.419 0.751 20 0 CCADLP C[C@@H]([NH2+]Cc1nc(C(N)=O)cs1)[C@@H]1CCC[NH2+]C1 ZINC000665273159 415584617 /nfs/dbraw/zinc/58/46/17/415584617.db2.gz QTFIIDPSQNDHRG-RKDXNWHRSA-N 2 2 268.386 0.720 20 0 CCADLP CCS(=O)(=O)N1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000077121892 177226683 /nfs/dbraw/zinc/22/66/83/177226683.db2.gz LBHKASVAALFRPX-UHFFFAOYSA-N 2 2 286.401 0.159 20 0 CCADLP CC[NH+]1CCC([N@H+](C)CCCS(=O)(=O)NC)CC1 ZINC000077248779 177239356 /nfs/dbraw/zinc/23/93/56/177239356.db2.gz BJSMPYIHDNOJNG-UHFFFAOYSA-N 2 2 277.434 0.342 20 0 CCADLP CC[NH+]1CCC([N@@H+](C)CCCS(=O)(=O)NC)CC1 ZINC000077248779 177239357 /nfs/dbraw/zinc/23/93/57/177239357.db2.gz BJSMPYIHDNOJNG-UHFFFAOYSA-N 2 2 277.434 0.342 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCS[C@H](C)C2)CC1 ZINC000171700254 335075088 /nfs/dbraw/zinc/07/50/88/335075088.db2.gz WDWWBALADAGTIP-OLZOCXBDSA-N 2 2 285.457 0.976 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCS[C@H](C)C2)CC1 ZINC000171700254 335075090 /nfs/dbraw/zinc/07/50/90/335075090.db2.gz WDWWBALADAGTIP-OLZOCXBDSA-N 2 2 285.457 0.976 20 0 CCADLP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000417920789 227178115 /nfs/dbraw/zinc/17/81/15/227178115.db2.gz HARISSOPDORBEQ-SDDRHHMPSA-N 2 2 277.372 0.695 20 0 CCADLP C[C@H]1C[C@H](NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH2+]1 ZINC000333845192 228216484 /nfs/dbraw/zinc/21/64/84/228216484.db2.gz PAXYSODCXZAHSX-RFQIPJPRSA-N 2 2 296.415 0.289 20 0 CCADLP C[C@H]1C[C@H](NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH2+]1 ZINC000333845192 228216485 /nfs/dbraw/zinc/21/64/85/228216485.db2.gz PAXYSODCXZAHSX-RFQIPJPRSA-N 2 2 296.415 0.289 20 0 CCADLP CC(C)n1ncnc1C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000088602570 544509398 /nfs/dbraw/zinc/50/93/98/544509398.db2.gz BWUYVAPGTQCTDW-LBPRGKRZSA-N 2 2 294.403 0.146 20 0 CCADLP CC(C)n1ncnc1C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000088602570 544509403 /nfs/dbraw/zinc/50/94/03/544509403.db2.gz BWUYVAPGTQCTDW-LBPRGKRZSA-N 2 2 294.403 0.146 20 0 CCADLP CN(C)c1nc(NCC[N@@H+]2CC[C@H](O)C2)cc[nH+]1 ZINC000624775524 419425826 /nfs/dbraw/zinc/42/58/26/419425826.db2.gz YRXFCYPRCYYZNQ-JTQLQIEISA-N 2 2 251.334 0.021 20 0 CCADLP CN(C)c1nc(NCC[N@H+]2CC[C@H](O)C2)cc[nH+]1 ZINC000624775524 419425839 /nfs/dbraw/zinc/42/58/39/419425839.db2.gz YRXFCYPRCYYZNQ-JTQLQIEISA-N 2 2 251.334 0.021 20 0 CCADLP Nc1[nH+]cnc(NCC[N@@H+]2CC[C@H](O)C2)c1Cl ZINC000624773836 419427503 /nfs/dbraw/zinc/42/75/03/419427503.db2.gz ISFNARKEVGOTNN-ZETCQYMHSA-N 2 2 257.725 0.191 20 0 CCADLP Nc1[nH+]cnc(NCC[N@H+]2CC[C@H](O)C2)c1Cl ZINC000624773836 419427513 /nfs/dbraw/zinc/42/75/13/419427513.db2.gz ISFNARKEVGOTNN-ZETCQYMHSA-N 2 2 257.725 0.191 20 0 CCADLP C[C@@H](CO)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000120943095 544573729 /nfs/dbraw/zinc/57/37/29/544573729.db2.gz MVWGCXDMFFNRCT-ZIAGYGMSSA-N 2 2 256.390 0.659 20 0 CCADLP C[C@@H](CO)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000120943095 544573731 /nfs/dbraw/zinc/57/37/31/544573731.db2.gz MVWGCXDMFFNRCT-ZIAGYGMSSA-N 2 2 256.390 0.659 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000124924060 544591211 /nfs/dbraw/zinc/59/12/11/544591211.db2.gz DVWXAWKFGIYWHW-QWHCGFSZSA-N 2 2 289.445 0.484 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000124924060 544591213 /nfs/dbraw/zinc/59/12/13/544591213.db2.gz DVWXAWKFGIYWHW-QWHCGFSZSA-N 2 2 289.445 0.484 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000124924060 544591217 /nfs/dbraw/zinc/59/12/17/544591217.db2.gz DVWXAWKFGIYWHW-QWHCGFSZSA-N 2 2 289.445 0.484 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000124924060 544591223 /nfs/dbraw/zinc/59/12/23/544591223.db2.gz DVWXAWKFGIYWHW-QWHCGFSZSA-N 2 2 289.445 0.484 20 0 CCADLP C[N@H+](C[C@H]1C[NH2+]CCO1)C[C@@H]1COc2ccccc2O1 ZINC000126785194 544601478 /nfs/dbraw/zinc/60/14/78/544601478.db2.gz YCFAMNXIQKYHCV-CHWSQXEVSA-N 2 2 278.352 0.747 20 0 CCADLP C[N@@H+](C[C@H]1C[NH2+]CCO1)C[C@@H]1COc2ccccc2O1 ZINC000126785194 544601483 /nfs/dbraw/zinc/60/14/83/544601483.db2.gz YCFAMNXIQKYHCV-CHWSQXEVSA-N 2 2 278.352 0.747 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000178762736 544748260 /nfs/dbraw/zinc/74/82/60/544748260.db2.gz VAJITKPOUIFSSB-NEPJUHHUSA-N 2 2 269.389 0.341 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000178762736 544748262 /nfs/dbraw/zinc/74/82/62/544748262.db2.gz VAJITKPOUIFSSB-NEPJUHHUSA-N 2 2 269.389 0.341 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000220577936 544815269 /nfs/dbraw/zinc/81/52/69/544815269.db2.gz INQZYRJTIFKESX-GFCCVEGCSA-N 2 2 276.384 0.987 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000220577936 544815273 /nfs/dbraw/zinc/81/52/73/544815273.db2.gz INQZYRJTIFKESX-GFCCVEGCSA-N 2 2 276.384 0.987 20 0 CCADLP C[C@H](CN1CCOCC1)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000222013256 544817825 /nfs/dbraw/zinc/81/78/25/544817825.db2.gz OCGVDRHZYAGFEF-MGPQQGTHSA-N 2 2 267.417 0.922 20 0 CCADLP C[C@H](CN1CCOCC1)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000222013256 544817829 /nfs/dbraw/zinc/81/78/29/544817829.db2.gz OCGVDRHZYAGFEF-MGPQQGTHSA-N 2 2 267.417 0.922 20 0 CCADLP C[C@H]1C[NH+](CCCNC(=O)c2ccc(C[NH3+])o2)C[C@H](C)O1 ZINC000237671777 544896400 /nfs/dbraw/zinc/89/64/00/544896400.db2.gz ZFJCMUQASXXBDN-RYUDHWBXSA-N 2 2 295.383 0.967 20 0 CCADLP C[C@@H]1CCC[N@H+](CCn2nc3ccccn3c2=O)[C@H]1C[NH3+] ZINC000252198989 544928453 /nfs/dbraw/zinc/92/84/53/544928453.db2.gz SWHBEXWKIATPAP-OLZOCXBDSA-N 2 2 289.383 0.555 20 0 CCADLP C[C@@H]1CCC[N@@H+](CCn2nc3ccccn3c2=O)[C@H]1C[NH3+] ZINC000252198989 544928456 /nfs/dbraw/zinc/92/84/56/544928456.db2.gz SWHBEXWKIATPAP-OLZOCXBDSA-N 2 2 289.383 0.555 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCS2(=O)=O)CC[N@@H+]1C ZINC000252185372 544928872 /nfs/dbraw/zinc/92/88/72/544928872.db2.gz UEYKUEFCSGPMOG-IJLUTSLNSA-N 2 2 260.403 0.636 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCS2(=O)=O)CC[N@H+]1C ZINC000252185372 544928876 /nfs/dbraw/zinc/92/88/76/544928876.db2.gz UEYKUEFCSGPMOG-IJLUTSLNSA-N 2 2 260.403 0.636 20 0 CCADLP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000262151603 544942391 /nfs/dbraw/zinc/94/23/91/544942391.db2.gz RGFUBOSPZOOKGD-DZGCQCFKSA-N 3 2 272.352 0.542 20 0 CCADLP C[NH+](C)CCNC(=O)C1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000179469320 260049091 /nfs/dbraw/zinc/04/90/91/260049091.db2.gz DDYYYTOPQYCCSO-UHFFFAOYSA-N 3 2 293.415 0.273 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@](C)(O)C2)CC1 ZINC000179718867 260064799 /nfs/dbraw/zinc/06/47/99/260064799.db2.gz JCQBQUHJNHNBIS-DZGCQCFKSA-N 2 2 283.416 0.386 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@](C)(O)C2)CC1 ZINC000179718867 260064800 /nfs/dbraw/zinc/06/48/00/260064800.db2.gz JCQBQUHJNHNBIS-DZGCQCFKSA-N 2 2 283.416 0.386 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@@H](O)CC2(O)CCC2)C1 ZINC000528419733 269835303 /nfs/dbraw/zinc/83/53/03/269835303.db2.gz CCXAQJVSZICKGZ-STQMWFEESA-N 2 2 279.384 0.875 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@@H](O)CC2(O)CCC2)C1 ZINC000528419733 269835304 /nfs/dbraw/zinc/83/53/04/269835304.db2.gz CCXAQJVSZICKGZ-STQMWFEESA-N 2 2 279.384 0.875 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCC2(O)CCC2)C[C@H](C)O1 ZINC000521032247 262221621 /nfs/dbraw/zinc/22/16/21/262221621.db2.gz AFPQYYWCPRSYGD-HZSPNIEDSA-N 2 2 286.416 0.351 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCC2(O)CCC2)C[C@H](C)O1 ZINC000521032247 262221622 /nfs/dbraw/zinc/22/16/22/262221622.db2.gz AFPQYYWCPRSYGD-HZSPNIEDSA-N 2 2 286.416 0.351 20 0 CCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H](C)[NH2+]C2CC2)CC1 ZINC000449142113 533685727 /nfs/dbraw/zinc/68/57/27/533685727.db2.gz NJNDYROXBUHGBB-RYUDHWBXSA-N 2 2 297.399 0.223 20 0 CCADLP O=C(N[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21)[C@@H]1CCn2c[nH+]cc2C1 ZINC000960628344 649856563 /nfs/dbraw/zinc/85/65/63/649856563.db2.gz FFOPNWDWNNPUKF-ZZVYKPCYSA-N 2 2 292.358 0.461 20 0 CCADLP O=C(N[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21)[C@@H]1CCn2c[nH+]cc2C1 ZINC000960628344 649856564 /nfs/dbraw/zinc/85/65/64/649856564.db2.gz FFOPNWDWNNPUKF-ZZVYKPCYSA-N 2 2 292.358 0.461 20 0 CCADLP COCC[C@H](C)C[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000519141587 265331468 /nfs/dbraw/zinc/33/14/68/265331468.db2.gz MPRHEVLWUURZAF-YJNKXOJESA-N 2 2 288.432 0.719 20 0 CCADLP CC(C)[C@H](C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C)[NH+](C)C ZINC000342254933 276012019 /nfs/dbraw/zinc/01/20/19/276012019.db2.gz TVICTGBMRKQVBQ-QLFBSQMISA-N 2 2 297.443 0.894 20 0 CCADLP CC[N@@H+]1CCN(CC[NH+]2CCO[C@@H](C)C2)[C@H](C)C1 ZINC000352689256 276195545 /nfs/dbraw/zinc/19/55/45/276195545.db2.gz CYMFHHSHYPANQO-KGLIPLIRSA-N 2 2 255.406 0.733 20 0 CCADLP CC[N@H+]1CCN(CC[NH+]2CCO[C@@H](C)C2)[C@H](C)C1 ZINC000352689256 276195546 /nfs/dbraw/zinc/19/55/46/276195546.db2.gz CYMFHHSHYPANQO-KGLIPLIRSA-N 2 2 255.406 0.733 20 0 CCADLP CC[NH+]1CCN(CC[N@@H+]2CCO[C@@H](C)C2)[C@H](C)C1 ZINC000352689256 276195547 /nfs/dbraw/zinc/19/55/47/276195547.db2.gz CYMFHHSHYPANQO-KGLIPLIRSA-N 2 2 255.406 0.733 20 0 CCADLP CC[NH+]1CCN(CC[N@H+]2CCO[C@@H](C)C2)[C@H](C)C1 ZINC000352689256 276195549 /nfs/dbraw/zinc/19/55/49/276195549.db2.gz CYMFHHSHYPANQO-KGLIPLIRSA-N 2 2 255.406 0.733 20 0 CCADLP CC[N@@H+]1CC[C@H]2OCCN(CCn3cc[nH+]c3)[C@@H]2C1 ZINC000339384018 276235587 /nfs/dbraw/zinc/23/55/87/276235587.db2.gz BVUFWOKEUPABDI-ZIAGYGMSSA-N 2 2 264.373 0.678 20 0 CCADLP CC[N@H+]1CC[C@H]2OCCN(CCn3cc[nH+]c3)[C@@H]2C1 ZINC000339384018 276235589 /nfs/dbraw/zinc/23/55/89/276235589.db2.gz BVUFWOKEUPABDI-ZIAGYGMSSA-N 2 2 264.373 0.678 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000352185073 276361804 /nfs/dbraw/zinc/36/18/04/276361804.db2.gz ZHSJQKJWVXNOOU-MCIONIFRSA-N 2 2 281.400 0.402 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[NH+]2C ZINC000352185073 276361801 /nfs/dbraw/zinc/36/18/01/276361801.db2.gz ZHSJQKJWVXNOOU-MCIONIFRSA-N 2 2 281.400 0.402 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[NH+]2C ZINC000352185073 276361802 /nfs/dbraw/zinc/36/18/02/276361802.db2.gz ZHSJQKJWVXNOOU-MCIONIFRSA-N 2 2 281.400 0.402 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000352185073 276361803 /nfs/dbraw/zinc/36/18/03/276361803.db2.gz ZHSJQKJWVXNOOU-MCIONIFRSA-N 2 2 281.400 0.402 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)C1CC1 ZINC000360819019 276777969 /nfs/dbraw/zinc/77/79/69/276777969.db2.gz PTDMDASBRFYZBO-ZJUUUORDSA-N 2 2 261.316 0.440 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000237289051 277029716 /nfs/dbraw/zinc/02/97/16/277029716.db2.gz GDFYJGVBLQAUQM-UONOGXRCSA-N 2 2 283.416 0.555 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1)C(C)C ZINC000253193135 277099266 /nfs/dbraw/zinc/09/92/66/277099266.db2.gz OGILTDDQUSUCCU-CORIIIEPSA-N 2 2 283.416 0.633 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1)C(C)C ZINC000253193135 277099269 /nfs/dbraw/zinc/09/92/69/277099269.db2.gz OGILTDDQUSUCCU-CORIIIEPSA-N 2 2 283.416 0.633 20 0 CCADLP Cn1ncc2c1nc[nH+]c2N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000278721068 277199973 /nfs/dbraw/zinc/19/99/73/277199973.db2.gz KDCFLYJMMNFFJI-AOOOYVTPSA-N 2 2 258.329 0.361 20 0 CCADLP Cn1ncc2c1nc[nH+]c2N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000278721068 277199975 /nfs/dbraw/zinc/19/99/75/277199975.db2.gz KDCFLYJMMNFFJI-AOOOYVTPSA-N 2 2 258.329 0.361 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC(O)CC1 ZINC000428214630 277221376 /nfs/dbraw/zinc/22/13/76/277221376.db2.gz DWEQZMVDDDSBJH-ROKHWSDSSA-N 2 2 256.390 0.990 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C1CCC(O)CC1 ZINC000428214630 277221377 /nfs/dbraw/zinc/22/13/77/277221377.db2.gz DWEQZMVDDDSBJH-ROKHWSDSSA-N 2 2 256.390 0.990 20 0 CCADLP C[NH2+]CCCNC(=O)NCCCNc1cccc[nH+]1 ZINC000417064206 277268075 /nfs/dbraw/zinc/26/80/75/277268075.db2.gz ACBKCZLWXOAGOK-UHFFFAOYSA-N 2 2 265.361 0.792 20 0 CCADLP CC(C)([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000236795228 277305971 /nfs/dbraw/zinc/30/59/71/277305971.db2.gz QQGJVLXEBIWCRF-CQSZACIVSA-N 2 2 291.395 0.913 20 0 CCADLP CS[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1[NH+](C)C ZINC000287836943 277529167 /nfs/dbraw/zinc/52/91/67/277529167.db2.gz WYVORMRQNIJUCR-QWRGUYRKSA-N 2 2 282.413 0.846 20 0 CCADLP CSC[C@@H](CCO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425362890 278134123 /nfs/dbraw/zinc/13/41/23/278134123.db2.gz VULDDQHFZUNIAU-SNVBAGLBSA-N 2 2 272.418 0.690 20 0 CCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000336308187 288069492 /nfs/dbraw/zinc/06/94/92/288069492.db2.gz LMQSHRKSVIAWTL-DGCLKSJQSA-N 2 2 251.374 0.776 20 0 CCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000336308187 288069493 /nfs/dbraw/zinc/06/94/93/288069493.db2.gz LMQSHRKSVIAWTL-DGCLKSJQSA-N 2 2 251.374 0.776 20 0 CCADLP C[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000336308187 288069495 /nfs/dbraw/zinc/06/94/95/288069495.db2.gz LMQSHRKSVIAWTL-DGCLKSJQSA-N 2 2 251.374 0.776 20 0 CCADLP C[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000336308187 288069497 /nfs/dbraw/zinc/06/94/97/288069497.db2.gz LMQSHRKSVIAWTL-DGCLKSJQSA-N 2 2 251.374 0.776 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000341261808 288091212 /nfs/dbraw/zinc/09/12/12/288091212.db2.gz DODQDCAZQUZDFJ-NDBYEHHHSA-N 2 2 269.389 0.162 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000341261808 288091213 /nfs/dbraw/zinc/09/12/13/288091213.db2.gz DODQDCAZQUZDFJ-NDBYEHHHSA-N 2 2 269.389 0.162 20 0 CCADLP C[C@@](C[NH3+])([NH2+]Cc1cc(=O)n2ccccc2n1)C1CC1 ZINC000430570849 279148943 /nfs/dbraw/zinc/14/89/43/279148943.db2.gz JOUPGIAHICWSTH-HNNXBMFYSA-N 2 2 272.352 0.912 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000414657327 279179295 /nfs/dbraw/zinc/17/92/95/279179295.db2.gz OIGNRBFNYVPAJX-CABCVRRESA-N 3 2 296.459 0.504 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000414657327 279179296 /nfs/dbraw/zinc/17/92/96/279179296.db2.gz OIGNRBFNYVPAJX-CABCVRRESA-N 3 2 296.459 0.504 20 0 CCADLP CC[NH+]1CCC([N@H+](C)CCCS(=O)(=O)N(C)C)CC1 ZINC000157482012 279258200 /nfs/dbraw/zinc/25/82/00/279258200.db2.gz OQQYJEROHLTXAE-UHFFFAOYSA-N 2 2 291.461 0.684 20 0 CCADLP CC[NH+]1CCC([N@@H+](C)CCCS(=O)(=O)N(C)C)CC1 ZINC000157482012 279258201 /nfs/dbraw/zinc/25/82/01/279258201.db2.gz OQQYJEROHLTXAE-UHFFFAOYSA-N 2 2 291.461 0.684 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262964357 279312447 /nfs/dbraw/zinc/31/24/47/279312447.db2.gz LBYWKVRQVMGICJ-ZJUUUORDSA-N 2 2 261.316 0.584 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262964357 279312448 /nfs/dbraw/zinc/31/24/48/279312448.db2.gz LBYWKVRQVMGICJ-ZJUUUORDSA-N 2 2 261.316 0.584 20 0 CCADLP C[C@H](CN1CCOCC1)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000070143093 279318877 /nfs/dbraw/zinc/31/88/77/279318877.db2.gz HTUUERDMFAVLDP-GFCCVEGCSA-N 2 2 281.404 0.296 20 0 CCADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CCN(C(N)=O)CC1 ZINC000037213896 279335387 /nfs/dbraw/zinc/33/53/87/279335387.db2.gz HDKCMZHXJLYQGC-LBPRGKRZSA-N 2 2 254.378 0.603 20 0 CCADLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CCN(C(N)=O)CC1 ZINC000037213896 279335390 /nfs/dbraw/zinc/33/53/90/279335390.db2.gz HDKCMZHXJLYQGC-LBPRGKRZSA-N 2 2 254.378 0.603 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000346301819 279378479 /nfs/dbraw/zinc/37/84/79/279378479.db2.gz WACFJZGYUMJRFC-UKRRQHHQSA-N 2 2 281.400 0.261 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000346301819 279378480 /nfs/dbraw/zinc/37/84/80/279378480.db2.gz WACFJZGYUMJRFC-UKRRQHHQSA-N 2 2 281.400 0.261 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000346301819 279378481 /nfs/dbraw/zinc/37/84/81/279378481.db2.gz WACFJZGYUMJRFC-UKRRQHHQSA-N 2 2 281.400 0.261 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000346301819 279378482 /nfs/dbraw/zinc/37/84/82/279378482.db2.gz WACFJZGYUMJRFC-UKRRQHHQSA-N 2 2 281.400 0.261 20 0 CCADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493111951 288144364 /nfs/dbraw/zinc/14/43/64/288144364.db2.gz DGQKIPITCMWQMV-ZYOFXKKJSA-N 2 2 292.383 0.727 20 0 CCADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493111951 288144365 /nfs/dbraw/zinc/14/43/65/288144365.db2.gz DGQKIPITCMWQMV-ZYOFXKKJSA-N 2 2 292.383 0.727 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000236802692 279668410 /nfs/dbraw/zinc/66/84/10/279668410.db2.gz KSKAVILQRWWMQS-CYBMUJFWSA-N 2 2 285.432 0.929 20 0 CCADLP CC[C@@H](C)NC(=O)CN1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346816996 280107267 /nfs/dbraw/zinc/10/72/67/280107267.db2.gz BKIGVKVMXWMBJV-HUUCEWRRSA-N 2 2 296.459 0.518 20 0 CCADLP CC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)[C@@H]1CCC[NH2+]1 ZINC000422769105 280186999 /nfs/dbraw/zinc/18/69/99/280186999.db2.gz UJLDSYFKTZYJJC-CABCVRRESA-N 3 2 269.433 0.953 20 0 CCADLP CC(C)[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)C(=O)N1CCOCC1 ZINC000422848006 280334276 /nfs/dbraw/zinc/33/42/76/280334276.db2.gz JCTKORVPVKSDKZ-MCIONIFRSA-N 2 2 283.416 0.600 20 0 CCADLP O=S1(=O)CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000252390397 280343490 /nfs/dbraw/zinc/34/34/90/280343490.db2.gz NNODHIYBMOQAPB-QWHCGFSZSA-N 2 2 272.414 0.780 20 0 CCADLP O=S1(=O)CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000252390397 280343493 /nfs/dbraw/zinc/34/34/93/280343493.db2.gz NNODHIYBMOQAPB-QWHCGFSZSA-N 2 2 272.414 0.780 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)N1CCC1 ZINC000371301192 289331847 /nfs/dbraw/zinc/33/18/47/289331847.db2.gz SQZCMSOWBRUABF-HZSPNIEDSA-N 2 2 281.400 0.402 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC(=O)N1CCC1 ZINC000371301192 289331853 /nfs/dbraw/zinc/33/18/53/289331853.db2.gz SQZCMSOWBRUABF-HZSPNIEDSA-N 2 2 281.400 0.402 20 0 CCADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134921144 289393287 /nfs/dbraw/zinc/39/32/87/289393287.db2.gz ZMTCGGKBAJBDGC-NQBHXWOUSA-N 2 2 251.374 0.809 20 0 CCADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134921144 289393293 /nfs/dbraw/zinc/39/32/93/289393293.db2.gz ZMTCGGKBAJBDGC-NQBHXWOUSA-N 2 2 251.374 0.809 20 0 CCADLP C[C@H](C(N)=O)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134921144 289393295 /nfs/dbraw/zinc/39/32/95/289393295.db2.gz ZMTCGGKBAJBDGC-NQBHXWOUSA-N 2 2 251.374 0.809 20 0 CCADLP C[C@H](C(N)=O)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134921144 289393296 /nfs/dbraw/zinc/39/32/96/289393296.db2.gz ZMTCGGKBAJBDGC-NQBHXWOUSA-N 2 2 251.374 0.809 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280688075 289755444 /nfs/dbraw/zinc/75/54/44/289755444.db2.gz AWSBVHWXUHHORE-BZPMIXESSA-N 2 2 262.357 0.778 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C2(CCCCC2)C1 ZINC000365907378 290101648 /nfs/dbraw/zinc/10/16/48/290101648.db2.gz JOUOFMAIIMPKJV-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C2(CCCCC2)C1 ZINC000365907378 290101651 /nfs/dbraw/zinc/10/16/51/290101651.db2.gz JOUOFMAIIMPKJV-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CC[N@H+](C)CC23CCCCC3)C1 ZINC000365907378 290101654 /nfs/dbraw/zinc/10/16/54/290101654.db2.gz JOUOFMAIIMPKJV-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](C)CC23CCCCC3)C1 ZINC000365907378 290101657 /nfs/dbraw/zinc/10/16/57/290101657.db2.gz JOUOFMAIIMPKJV-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP Cc1cc[nH+]c(NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC000269384200 292787444 /nfs/dbraw/zinc/78/74/44/292787444.db2.gz TWHKAAKGLOLHHQ-LBPRGKRZSA-N 2 2 251.330 0.495 20 0 CCADLP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000164597354 290179971 /nfs/dbraw/zinc/17/99/71/290179971.db2.gz XBLOFICSBSIHPP-MCIONIFRSA-N 2 2 281.400 0.260 20 0 CCADLP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000164597354 290179972 /nfs/dbraw/zinc/17/99/72/290179972.db2.gz XBLOFICSBSIHPP-MCIONIFRSA-N 2 2 281.400 0.260 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000164597354 290179973 /nfs/dbraw/zinc/17/99/73/290179973.db2.gz XBLOFICSBSIHPP-MCIONIFRSA-N 2 2 281.400 0.260 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000164597354 290179974 /nfs/dbraw/zinc/17/99/74/290179974.db2.gz XBLOFICSBSIHPP-MCIONIFRSA-N 2 2 281.400 0.260 20 0 CCADLP CNC(=O)C[C@H](C)[NH2+][C@H](C)CC[NH+]1CCOCC1 ZINC000358172454 290459346 /nfs/dbraw/zinc/45/93/46/290459346.db2.gz STXUINZLUBJLGW-NEPJUHHUSA-N 2 2 257.378 0.211 20 0 CCADLP Cc1nc(N2CC[C@H](N3CC[NH2+]CC3)C2)c(C)c(C)[nH+]1 ZINC000420251467 293227978 /nfs/dbraw/zinc/22/79/78/293227978.db2.gz LPRSSSLHKLNAIU-AWEZNQCLSA-N 2 2 275.400 0.886 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000386328548 336170759 /nfs/dbraw/zinc/17/07/59/336170759.db2.gz JRKXBZKNUIWHBT-UPJWGTAASA-N 2 2 276.446 0.751 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000386328548 336170760 /nfs/dbraw/zinc/17/07/60/336170760.db2.gz JRKXBZKNUIWHBT-UPJWGTAASA-N 2 2 276.446 0.751 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)CCS1 ZINC000192175756 335091192 /nfs/dbraw/zinc/09/11/92/335091192.db2.gz HXVZDPVYIHEGOY-LBPRGKRZSA-N 2 2 271.430 0.588 20 0 CCADLP COc1c(C[NH2+][C@@H](C)CC[NH+]2CCOCC2)c(C)nn1C ZINC000124199170 294901321 /nfs/dbraw/zinc/90/13/21/294901321.db2.gz JHDZXWILIZIELH-LBPRGKRZSA-N 2 2 296.415 0.938 20 0 CCADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC000389202986 545086978 /nfs/dbraw/zinc/08/69/78/545086978.db2.gz ZCPJMLKZDMZPPZ-QWHCGFSZSA-N 2 2 252.362 0.318 20 0 CCADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC000389202986 545086979 /nfs/dbraw/zinc/08/69/79/545086979.db2.gz ZCPJMLKZDMZPPZ-QWHCGFSZSA-N 2 2 252.362 0.318 20 0 CCADLP C[C@H](C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000435238908 297995665 /nfs/dbraw/zinc/99/56/65/297995665.db2.gz HUYNAZZDVVDPMK-DGCLKSJQSA-N 2 2 267.373 0.060 20 0 CCADLP C[C@H](CS(C)(=O)=O)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423382447 298869168 /nfs/dbraw/zinc/86/91/68/298869168.db2.gz IOGCPFWAUUOVQE-MNOVXSKESA-N 2 2 262.419 0.787 20 0 CCADLP C[C@H]1CN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000262354981 300177869 /nfs/dbraw/zinc/17/78/69/300177869.db2.gz HUDMVAYLNDDKAE-AJNGGQMLSA-N 2 2 295.427 0.554 20 0 CCADLP O=C(COC1CC[NH2+]CC1)NCCCNc1cccc[nH+]1 ZINC000570925985 327635878 /nfs/dbraw/zinc/63/58/78/327635878.db2.gz QBBQCBGKPYKIMW-UHFFFAOYSA-N 2 2 292.383 0.768 20 0 CCADLP C[C@H](C[NH2+]C[C@](C)(O)C(F)(F)F)C[NH+]1CCOCC1 ZINC000582057705 327824825 /nfs/dbraw/zinc/82/48/25/327824825.db2.gz BAWRLRQTZLMNQO-MNOVXSKESA-N 2 2 284.322 0.858 20 0 CCADLP Cc1cc(C[NH2+]Cc2c[nH+]c(N(C)C)n2C)n(C)n1 ZINC000425382990 533708491 /nfs/dbraw/zinc/70/84/91/533708491.db2.gz OXNXJXWNJDVGHI-UHFFFAOYSA-N 2 2 262.361 0.818 20 0 CCADLP CN(C(=O)[C@H]([NH3+])c1cscn1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000575991060 327007081 /nfs/dbraw/zinc/00/70/81/327007081.db2.gz HMYMQVCJTRMDIW-CMPLNLGQSA-N 2 2 280.397 0.838 20 0 CCADLP CN(C(=O)[C@H]([NH3+])c1cscn1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000575991060 327007082 /nfs/dbraw/zinc/00/70/82/327007082.db2.gz HMYMQVCJTRMDIW-CMPLNLGQSA-N 2 2 280.397 0.838 20 0 CCADLP C[N@@H+]1CCN(C(=O)c2ccnc3ccncc32)[C@@H](C[NH3+])C1 ZINC000565832249 327030625 /nfs/dbraw/zinc/03/06/25/327030625.db2.gz QWCLMDNVVCOXHB-NSHDSACASA-N 2 2 285.351 0.345 20 0 CCADLP C[N@H+]1CCN(C(=O)c2ccnc3ccncc32)[C@@H](C[NH3+])C1 ZINC000565832249 327030627 /nfs/dbraw/zinc/03/06/27/327030627.db2.gz QWCLMDNVVCOXHB-NSHDSACASA-N 2 2 285.351 0.345 20 0 CCADLP COC(=O)CN(C)C(=O)CC[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000584124202 327046120 /nfs/dbraw/zinc/04/61/20/327046120.db2.gz XILMQYRMGRLDJA-UHFFFAOYSA-N 2 2 297.399 0.211 20 0 CCADLP COC(=O)CN(C)C(=O)CC[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000584124202 327046121 /nfs/dbraw/zinc/04/61/21/327046121.db2.gz XILMQYRMGRLDJA-UHFFFAOYSA-N 2 2 297.399 0.211 20 0 CCADLP Cc1cccnc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000577076771 327077204 /nfs/dbraw/zinc/07/72/04/327077204.db2.gz DNXOWMKSFHQTSU-NEPJUHHUSA-N 2 2 260.341 0.134 20 0 CCADLP Cc1cccnc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000577076771 327077206 /nfs/dbraw/zinc/07/72/06/327077206.db2.gz DNXOWMKSFHQTSU-NEPJUHHUSA-N 2 2 260.341 0.134 20 0 CCADLP CC(C)COC[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000573206802 327125425 /nfs/dbraw/zinc/12/54/25/327125425.db2.gz OLWLMVUQRGVHLY-GJZGRUSLSA-N 2 2 288.432 0.456 20 0 CCADLP CC(C)COC[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000573206802 327125427 /nfs/dbraw/zinc/12/54/27/327125427.db2.gz OLWLMVUQRGVHLY-GJZGRUSLSA-N 2 2 288.432 0.456 20 0 CCADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000387522384 327297525 /nfs/dbraw/zinc/29/75/25/327297525.db2.gz KODRIMFTHRRPHW-STQMWFEESA-N 2 2 285.432 0.848 20 0 CCADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2cc(C)[nH+]c(C)c2)C1 ZINC000583439178 327365462 /nfs/dbraw/zinc/36/54/62/327365462.db2.gz AWJOIYNBNGFUAT-QWHCGFSZSA-N 2 2 263.341 0.692 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)CC1 ZINC000575920244 335131002 /nfs/dbraw/zinc/13/10/02/335131002.db2.gz RFLGHNJBENIMDU-LSDHHAIUSA-N 2 2 295.427 0.651 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)CC1 ZINC000575920244 335131003 /nfs/dbraw/zinc/13/10/03/335131003.db2.gz RFLGHNJBENIMDU-LSDHHAIUSA-N 2 2 295.427 0.651 20 0 CCADLP [NH3+][C@@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH2+]CC2)c2ccccc21 ZINC000565475138 334566146 /nfs/dbraw/zinc/56/61/46/334566146.db2.gz VOMWTLFTPYLJRF-ZIAGYGMSSA-N 3 2 274.368 0.153 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH2+]CCc1cc[nH+]cc1C ZINC000566112275 334624260 /nfs/dbraw/zinc/62/42/60/334624260.db2.gz UIJCTDQVDJUJHZ-DZGCQCFKSA-N 2 2 282.384 0.935 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000576476300 335209577 /nfs/dbraw/zinc/20/95/77/335209577.db2.gz XWGKWFWAAMUHEH-AWEZNQCLSA-N 2 2 291.355 0.027 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000576476300 335209579 /nfs/dbraw/zinc/20/95/79/335209579.db2.gz XWGKWFWAAMUHEH-AWEZNQCLSA-N 2 2 291.355 0.027 20 0 CCADLP C[C@H]1[C@@H]([NH3+])CCN1c1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000576570404 335219844 /nfs/dbraw/zinc/21/98/44/335219844.db2.gz OVEXLUNHZDRTRI-XQQFMLRXSA-N 2 2 291.399 0.754 20 0 CCADLP O=C(C[C@@H]1CCC[NH2+]C1)NC[C@H]1CC[NH2+]CC1(F)F ZINC000576647501 335230933 /nfs/dbraw/zinc/23/09/33/335230933.db2.gz FKOLTOZQGZDSFE-WDEREUQCSA-N 2 2 275.343 0.737 20 0 CCADLP O[C@@H](C[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)Cn1cccn1 ZINC000577098728 335299603 /nfs/dbraw/zinc/29/96/03/335299603.db2.gz GPYPOBUNKCXKMJ-CABCVRRESA-N 2 2 278.400 0.851 20 0 CCADLP O[C@@H](C[NH2+]C[C@H]1CCCC[N@H+]1C1CC1)Cn1cccn1 ZINC000577098728 335299604 /nfs/dbraw/zinc/29/96/04/335299604.db2.gz GPYPOBUNKCXKMJ-CABCVRRESA-N 2 2 278.400 0.851 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CC2=CCCOC2)C[C@H](C)O1 ZINC000577099635 335300074 /nfs/dbraw/zinc/30/00/74/335300074.db2.gz GPHLRGMQNYMTIM-VNHYZAJKSA-N 2 2 284.400 0.393 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCC(F)(F)F)CCN2C1=O ZINC000577125228 335305025 /nfs/dbraw/zinc/30/50/25/335305025.db2.gz OEKHAFFBOOUQLB-SFYZADRCSA-N 2 2 251.252 0.183 20 0 CCADLP CC(C)c1[nH+]ccn1CCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000577182026 335318141 /nfs/dbraw/zinc/31/81/41/335318141.db2.gz JCRXDPRHDPNCOF-ZDUSSCGKSA-N 3 2 293.415 0.498 20 0 CCADLP CC(C)c1[nH+]ccn1CCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000577182026 335318142 /nfs/dbraw/zinc/31/81/42/335318142.db2.gz JCRXDPRHDPNCOF-ZDUSSCGKSA-N 3 2 293.415 0.498 20 0 CCADLP C[C@H](O)[C@H]1CCN(c2cc(N3CC([NH+](C)C)C3)nc[nH+]2)C1 ZINC000577469244 335355557 /nfs/dbraw/zinc/35/55/57/335355557.db2.gz NBQBFYBLWSQRBY-RYUDHWBXSA-N 2 2 291.399 0.434 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000577483533 335357029 /nfs/dbraw/zinc/35/70/29/335357029.db2.gz FYGDBLKDCRWOGH-KWCYVHTRSA-N 2 2 291.399 0.959 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000577490079 335358159 /nfs/dbraw/zinc/35/81/59/335358159.db2.gz JIQFDEKJUNZNGT-AAEUAGOBSA-N 2 2 262.357 0.515 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000577490079 335358160 /nfs/dbraw/zinc/35/81/60/335358160.db2.gz JIQFDEKJUNZNGT-AAEUAGOBSA-N 2 2 262.357 0.515 20 0 CCADLP COC(=O)[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)[C@H]1C(=O)OC ZINC000346251552 335360429 /nfs/dbraw/zinc/36/04/29/335360429.db2.gz KUACBDKMAWSAAD-VXGBXAGGSA-N 2 2 295.339 0.310 20 0 CCADLP COC(=O)[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)[C@H]1C(=O)OC ZINC000346251552 335360430 /nfs/dbraw/zinc/36/04/30/335360430.db2.gz KUACBDKMAWSAAD-VXGBXAGGSA-N 2 2 295.339 0.310 20 0 CCADLP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1nnnn1CC1CC1 ZINC000577620644 335380015 /nfs/dbraw/zinc/38/00/15/335380015.db2.gz AJHHATKYPKWANP-ZYHUDNBSSA-N 2 2 264.377 0.561 20 0 CCADLP CCOCC[C@H](O)C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000577621805 335380343 /nfs/dbraw/zinc/38/03/43/335380343.db2.gz FBJHTLLQOVURTC-DYEKYZERSA-N 2 2 256.390 0.989 20 0 CCADLP CCOCC[C@H](O)C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000577621805 335380345 /nfs/dbraw/zinc/38/03/45/335380345.db2.gz FBJHTLLQOVURTC-DYEKYZERSA-N 2 2 256.390 0.989 20 0 CCADLP C[NH+]1CCN(C(=O)C2CC[NH+](CC3(F)CC3)CC2)CC1 ZINC000577717150 335391754 /nfs/dbraw/zinc/39/17/54/335391754.db2.gz KYHNSGDFQHZFFX-UHFFFAOYSA-N 2 2 283.391 0.975 20 0 CCADLP C[C@@H](C(=O)Nc1ccnn1CC[NH+](C)C)[NH+]1CC(C)C1 ZINC000580783114 335966632 /nfs/dbraw/zinc/96/66/32/335966632.db2.gz JBHJZCBHAKRXHM-LBPRGKRZSA-N 2 2 279.388 0.723 20 0 CCADLP C[C@H](CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+])[NH+]1CCN(C)CC1 ZINC000581367618 336062294 /nfs/dbraw/zinc/06/22/94/336062294.db2.gz IVKSCXODAUZQRE-ILXRZTDVSA-N 2 2 296.459 0.646 20 0 CCADLP CCCCOCC[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581424576 336074952 /nfs/dbraw/zinc/07/49/52/336074952.db2.gz WWPXSYKOALNEQU-QLFBSQMISA-N 2 2 288.432 0.863 20 0 CCADLP CCCCOCC[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581424576 336074954 /nfs/dbraw/zinc/07/49/54/336074954.db2.gz WWPXSYKOALNEQU-QLFBSQMISA-N 2 2 288.432 0.863 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)NCCCCn1cc[nH+]c1 ZINC000383376035 336108013 /nfs/dbraw/zinc/10/80/13/336108013.db2.gz OZNCUDQKLCFAMJ-NSHDSACASA-N 2 2 250.346 0.920 20 0 CCADLP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)[C@H]1CCCC[NH2+]1 ZINC000385949887 336163202 /nfs/dbraw/zinc/16/32/02/336163202.db2.gz CMBRVJNOHJTAKA-LSDHHAIUSA-N 3 2 268.449 0.744 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000386328533 336170770 /nfs/dbraw/zinc/17/07/70/336170770.db2.gz JRKXBZKNUIWHBT-AVGNSLFASA-N 2 2 276.446 0.751 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000386328533 336170772 /nfs/dbraw/zinc/17/07/72/336170772.db2.gz JRKXBZKNUIWHBT-AVGNSLFASA-N 2 2 276.446 0.751 20 0 CCADLP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000582012370 336191859 /nfs/dbraw/zinc/19/18/59/336191859.db2.gz FYFQWQXVHBEYJO-KGLIPLIRSA-N 2 2 295.427 0.650 20 0 CCADLP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000582012370 336191861 /nfs/dbraw/zinc/19/18/61/336191861.db2.gz FYFQWQXVHBEYJO-KGLIPLIRSA-N 2 2 295.427 0.650 20 0 CCADLP CN(C(=O)C[N@H+]1CCC(C)(C)C1)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000582012370 336191863 /nfs/dbraw/zinc/19/18/63/336191863.db2.gz FYFQWQXVHBEYJO-KGLIPLIRSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H](C[NH3+])CNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000418478010 533761000 /nfs/dbraw/zinc/76/10/00/533761000.db2.gz WFIHMHZPRLCRAY-ZDUSSCGKSA-N 2 2 291.399 0.504 20 0 CCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)NCc1c[nH+]cn1C ZINC000418213140 545094453 /nfs/dbraw/zinc/09/44/53/545094453.db2.gz ICKWQODPWCXPSK-LLVKDONJSA-N 2 2 265.361 0.704 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ncc[nH]1 ZINC000428233075 545094729 /nfs/dbraw/zinc/09/47/29/545094729.db2.gz XISNOMOIBFRFFC-RYUDHWBXSA-N 2 2 279.388 0.648 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ncc[nH]1 ZINC000428233075 545094730 /nfs/dbraw/zinc/09/47/30/545094730.db2.gz XISNOMOIBFRFFC-RYUDHWBXSA-N 2 2 279.388 0.648 20 0 CCADLP C[C@@H](CNC(=O)/C=C/c1[nH]cc[nH+]1)C[NH+]1CCOCC1 ZINC000493143420 533871918 /nfs/dbraw/zinc/87/19/18/533871918.db2.gz BJCCEQQOPNWTSV-JDGPPOGSSA-N 2 2 278.356 0.507 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)N(C)Cc1[nH+]ccn1C ZINC000358514598 534017099 /nfs/dbraw/zinc/01/70/99/534017099.db2.gz ZYFCFNDGOVNPSP-SNVBAGLBSA-N 2 2 253.350 0.512 20 0 CCADLP C[C@@H](CO[C@@H]1CCOC1)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425339597 534162487 /nfs/dbraw/zinc/16/24/87/534162487.db2.gz CSJNYBGIYFUCHS-WCQYABFASA-N 2 2 282.388 0.770 20 0 CCADLP C[C@@H](Cn1cccn1)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449397497 534270569 /nfs/dbraw/zinc/27/05/69/534270569.db2.gz VJJYKRXBXZVNNQ-UONOGXRCSA-N 2 2 266.389 0.708 20 0 CCADLP C[C@@H](Cn1cccn1)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449397497 534270572 /nfs/dbraw/zinc/27/05/72/534270572.db2.gz VJJYKRXBXZVNNQ-UONOGXRCSA-N 2 2 266.389 0.708 20 0 CCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424184077 534446598 /nfs/dbraw/zinc/44/65/98/534446598.db2.gz XAOXREZALKPOJA-MNOVXSKESA-N 2 2 276.340 0.512 20 0 CCADLP CC(C)[C@@H](C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)[NH+](C)C ZINC000363708006 519788949 /nfs/dbraw/zinc/78/89/49/519788949.db2.gz IEHDXZQJMBRJLX-KGLIPLIRSA-N 2 2 283.416 0.506 20 0 CCADLP C[NH+]1CCC(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000365000128 523763468 /nfs/dbraw/zinc/76/34/68/523763468.db2.gz WHIKNRQDNGHCAN-ZDUSSCGKSA-N 2 2 276.384 0.904 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@@H]3CSC[NH2+]3)CC2)cc[nH+]1 ZINC000423787841 534754181 /nfs/dbraw/zinc/75/41/81/534754181.db2.gz VPQHNQYWGWOCIA-NSHDSACASA-N 2 2 293.396 0.096 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC2)cc[nH+]1 ZINC000423788768 534754279 /nfs/dbraw/zinc/75/42/79/534754279.db2.gz WLYFGOUTSUKFPJ-CYBMUJFWSA-N 2 2 291.399 0.807 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366093447 524158379 /nfs/dbraw/zinc/15/83/79/524158379.db2.gz SLIUPEZLQJOLIK-TZMCWYRMSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366093447 524158387 /nfs/dbraw/zinc/15/83/87/524158387.db2.gz SLIUPEZLQJOLIK-TZMCWYRMSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H](CC(=O)NCC[NH+]1CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000155972688 524371638 /nfs/dbraw/zinc/37/16/38/524371638.db2.gz WPVYGJRWMJTHBE-UONOGXRCSA-N 2 2 283.416 0.461 20 0 CCADLP C[C@@H](C[NH3+])C(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000054344990 524580210 /nfs/dbraw/zinc/58/02/10/524580210.db2.gz CHJGZWYVBGUPML-NWDGAFQWSA-N 2 2 297.424 0.832 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000156630708 525001533 /nfs/dbraw/zinc/00/15/33/525001533.db2.gz HUHHPBLTVCKVFC-CHWSQXEVSA-N 2 2 276.384 0.709 20 0 CCADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccncc1F ZINC000340361596 525425731 /nfs/dbraw/zinc/42/57/31/525425731.db2.gz XXASXEQKRCHQCY-GXFFZTMASA-N 2 2 253.321 0.938 20 0 CCADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccncc1F ZINC000340361596 525425739 /nfs/dbraw/zinc/42/57/39/525425739.db2.gz XXASXEQKRCHQCY-GXFFZTMASA-N 2 2 253.321 0.938 20 0 CCADLP CN1CC[C@@H]([N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1=O ZINC000246185447 536452705 /nfs/dbraw/zinc/45/27/05/536452705.db2.gz LHPPWNQTQHNDTJ-QWHCGFSZSA-N 2 2 251.374 0.635 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CN(C(=O)Nc2ccn3cc[nH+]c3c2)CCO1 ZINC000667532049 545149182 /nfs/dbraw/zinc/14/91/82/545149182.db2.gz GAYNBYMYZNOQCN-PWSUYJOCSA-N 2 2 289.339 0.914 20 0 CCADLP c1[nH+]c2n(c1CN1CC[NH+](C[C@H]3CCOC3)CC1)CCC2 ZINC000667683424 545153819 /nfs/dbraw/zinc/15/38/19/545153819.db2.gz PLVWAVALEHZMDY-CQSZACIVSA-N 2 2 290.411 0.983 20 0 CCADLP CCC[N@H+](Cc1c[nH+]c(C)n1C)[C@@H]1CC(=O)N(C)C1=O ZINC000668110123 545163726 /nfs/dbraw/zinc/16/37/26/545163726.db2.gz XOANXNUPPODPAX-GFCCVEGCSA-N 2 2 278.356 0.698 20 0 CCADLP CCC[N@@H+](Cc1c[nH+]c(C)n1C)[C@@H]1CC(=O)N(C)C1=O ZINC000668110123 545163727 /nfs/dbraw/zinc/16/37/27/545163727.db2.gz XOANXNUPPODPAX-GFCCVEGCSA-N 2 2 278.356 0.698 20 0 CCADLP COC[C@]1(CO)CC[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000668226465 545168165 /nfs/dbraw/zinc/16/81/65/545168165.db2.gz MTDMVCOCLYVHOC-CYBMUJFWSA-N 2 2 253.346 0.559 20 0 CCADLP COC[C@]1(CO)CC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000668226465 545168166 /nfs/dbraw/zinc/16/81/66/545168166.db2.gz MTDMVCOCLYVHOC-CYBMUJFWSA-N 2 2 253.346 0.559 20 0 CCADLP CCn1c[nH+]cc1CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668535247 545180293 /nfs/dbraw/zinc/18/02/93/545180293.db2.gz DCVQWODFHQFAFT-ZDUSSCGKSA-N 2 2 264.373 0.810 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000449659107 527734910 /nfs/dbraw/zinc/73/49/10/527734910.db2.gz VAMGIOYCKGBXJV-QWRGUYRKSA-N 2 2 291.342 0.068 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000449659107 527734911 /nfs/dbraw/zinc/73/49/11/527734911.db2.gz VAMGIOYCKGBXJV-QWRGUYRKSA-N 2 2 291.342 0.068 20 0 CCADLP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1(CO)CC1 ZINC000668801204 545191254 /nfs/dbraw/zinc/19/12/54/545191254.db2.gz NPPYMIZXUUQNOJ-UHFFFAOYSA-N 2 2 291.399 0.185 20 0 CCADLP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1(CO)CC1 ZINC000668801204 545191255 /nfs/dbraw/zinc/19/12/55/545191255.db2.gz NPPYMIZXUUQNOJ-UHFFFAOYSA-N 2 2 291.399 0.185 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+][C@@H]2CC(=O)N(C(C)C)C2)[C@@H](C)C1 ZINC000358161444 527991495 /nfs/dbraw/zinc/99/14/95/527991495.db2.gz UIXMGEIGPJVDPE-XQQFMLRXSA-N 2 2 253.390 0.926 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+][C@@H]2CC(=O)N(C(C)C)C2)[C@@H](C)C1 ZINC000358161444 527991504 /nfs/dbraw/zinc/99/15/04/527991504.db2.gz UIXMGEIGPJVDPE-XQQFMLRXSA-N 2 2 253.390 0.926 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428031978 528047260 /nfs/dbraw/zinc/04/72/60/528047260.db2.gz MHYCMVSVFCTHJA-RWMBFGLXSA-N 2 2 296.415 0.541 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428031978 528047265 /nfs/dbraw/zinc/04/72/65/528047265.db2.gz MHYCMVSVFCTHJA-RWMBFGLXSA-N 2 2 296.415 0.541 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000669323313 545205394 /nfs/dbraw/zinc/20/53/94/545205394.db2.gz LZTJRXDMJVBROX-CHWSQXEVSA-N 2 2 284.404 0.148 20 0 CCADLP COCC[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000669699157 545219627 /nfs/dbraw/zinc/21/96/27/545219627.db2.gz UCUPSZPNUZQDHV-UONOGXRCSA-N 2 2 283.416 0.555 20 0 CCADLP CCC[NH2+]CCNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000418471338 528482676 /nfs/dbraw/zinc/48/26/76/528482676.db2.gz KOZPBWHIQKBEML-ZDUSSCGKSA-N 2 2 286.420 0.348 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000423861648 528536830 /nfs/dbraw/zinc/53/68/30/528536830.db2.gz CZTLOZGNWQGOLD-QWHCGFSZSA-N 2 2 293.415 0.623 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000449087782 528540914 /nfs/dbraw/zinc/54/09/14/528540914.db2.gz WQZUABQTZHJWBZ-RYUDHWBXSA-N 2 2 257.378 0.211 20 0 CCADLP COCCOCC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670987564 545241298 /nfs/dbraw/zinc/24/12/98/545241298.db2.gz XJSZMFUBOGEWHS-HNNXBMFYSA-N 2 2 286.416 0.836 20 0 CCADLP COCCOCC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670987564 545241299 /nfs/dbraw/zinc/24/12/99/545241299.db2.gz XJSZMFUBOGEWHS-HNNXBMFYSA-N 2 2 286.416 0.836 20 0 CCADLP C[C@H](NC(=O)N1CC[NH+]2CCC1CC2)[C@@H]1C[N@H+](C)CCO1 ZINC000671209461 545244064 /nfs/dbraw/zinc/24/40/64/545244064.db2.gz MGPQCVBJIWJOKD-JSGCOSHPSA-N 2 2 296.415 0.195 20 0 CCADLP C[C@H](NC(=O)N1CC[NH+]2CCC1CC2)[C@@H]1C[N@@H+](C)CCO1 ZINC000671209461 545244065 /nfs/dbraw/zinc/24/40/65/545244065.db2.gz MGPQCVBJIWJOKD-JSGCOSHPSA-N 2 2 296.415 0.195 20 0 CCADLP CC(C)Cn1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cn1 ZINC000358161044 528710233 /nfs/dbraw/zinc/71/02/33/528710233.db2.gz KNDGJFRYZAVLFH-AWEZNQCLSA-N 2 2 266.389 0.695 20 0 CCADLP CC(C)Cn1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cn1 ZINC000358161044 528710236 /nfs/dbraw/zinc/71/02/36/528710236.db2.gz KNDGJFRYZAVLFH-AWEZNQCLSA-N 2 2 266.389 0.695 20 0 CCADLP CCOCCOCC[N@H+](C)Cc1c[nH+]c(N(C)C)n1C ZINC000425330071 528801051 /nfs/dbraw/zinc/80/10/51/528801051.db2.gz ABWYXCSLOHPDAB-UHFFFAOYSA-N 2 2 284.404 0.971 20 0 CCADLP CCOCCOCC[N@@H+](C)Cc1c[nH+]c(N(C)C)n1C ZINC000425330071 528801056 /nfs/dbraw/zinc/80/10/56/528801056.db2.gz ABWYXCSLOHPDAB-UHFFFAOYSA-N 2 2 284.404 0.971 20 0 CCADLP CCCC[C@@H](C[NH3+])NC(=O)N1CCn2cc[nH+]c2C1 ZINC000418445024 528805886 /nfs/dbraw/zinc/80/58/86/528805886.db2.gz MSTYFIYIADQOCI-NSHDSACASA-N 2 2 265.361 0.926 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672876921 545274668 /nfs/dbraw/zinc/27/46/68/545274668.db2.gz QXNMPDCBFNKBML-LBPRGKRZSA-N 2 2 262.357 0.563 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672876921 545274669 /nfs/dbraw/zinc/27/46/69/545274669.db2.gz QXNMPDCBFNKBML-LBPRGKRZSA-N 2 2 262.357 0.563 20 0 CCADLP CC[NH+]1CCN(CCNC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493721827 529145699 /nfs/dbraw/zinc/14/56/99/529145699.db2.gz SHJUHYISNSPJCX-ARJAWSKDSA-N 2 2 277.372 0.177 20 0 CCADLP CC1(C)NC(=O)N(CC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C1=O ZINC000261657576 534979555 /nfs/dbraw/zinc/97/95/55/534979555.db2.gz DVQMKIGEOVAXQL-WDEREUQCSA-N 2 2 280.372 0.001 20 0 CCADLP CC1(C)NC(=O)N(CC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C1=O ZINC000261657576 534979562 /nfs/dbraw/zinc/97/95/62/534979562.db2.gz DVQMKIGEOVAXQL-WDEREUQCSA-N 2 2 280.372 0.001 20 0 CCADLP C[C@@H](C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000674244948 545301320 /nfs/dbraw/zinc/30/13/20/545301320.db2.gz UFAAEFGGFRCBOI-AVGNSLFASA-N 2 2 285.432 0.941 20 0 CCADLP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000357104335 534986876 /nfs/dbraw/zinc/98/68/76/534986876.db2.gz VDFHQOWVCWNDKJ-GJZGRUSLSA-N 2 2 297.443 0.896 20 0 CCADLP CC(C)N(C)C(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000357104335 534986877 /nfs/dbraw/zinc/98/68/77/534986877.db2.gz VDFHQOWVCWNDKJ-GJZGRUSLSA-N 2 2 297.443 0.896 20 0 CCADLP CC(C)N1CCO[C@@H](C[NH+]2CCN(CC(C)(C)[NH3+])CC2)C1 ZINC000346846241 535214284 /nfs/dbraw/zinc/21/42/84/535214284.db2.gz NPGUOCMHQWMSAZ-HNNXBMFYSA-N 2 2 298.475 0.451 20 0 CCADLP Cn1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000675637953 545329872 /nfs/dbraw/zinc/32/98/72/545329872.db2.gz OGIGOJZMRJWZPW-AWEZNQCLSA-N 2 2 290.411 0.923 20 0 CCADLP Cn1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000675637953 545329873 /nfs/dbraw/zinc/32/98/73/545329873.db2.gz OGIGOJZMRJWZPW-AWEZNQCLSA-N 2 2 290.411 0.923 20 0 CCADLP CCOCCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000362711722 535457998 /nfs/dbraw/zinc/45/79/98/535457998.db2.gz RGPAVPKXXFZNFX-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP CCOCCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000362711722 535458002 /nfs/dbraw/zinc/45/80/02/535458002.db2.gz RGPAVPKXXFZNFX-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@@H](NC(=O)c1ccc2[nH+]ccn2c1)[C@H]1C[N@H+](C)CCO1 ZINC000676287691 545339713 /nfs/dbraw/zinc/33/97/13/545339713.db2.gz WWFZWSINHXIZAA-DGCLKSJQSA-N 2 2 288.351 0.783 20 0 CCADLP C[C@@H](NC(=O)c1ccc2[nH+]ccn2c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676287691 545339714 /nfs/dbraw/zinc/33/97/14/545339714.db2.gz WWFZWSINHXIZAA-DGCLKSJQSA-N 2 2 288.351 0.783 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H]1C[NH+](C)CCO1 ZINC000676349158 545342138 /nfs/dbraw/zinc/34/21/38/545342138.db2.gz UTWWILGHWGPPOE-VXGBXAGGSA-N 2 2 257.378 0.164 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@H](C)[C@H]1C[NH+](C)CCO1 ZINC000676349158 545342139 /nfs/dbraw/zinc/34/21/39/545342139.db2.gz UTWWILGHWGPPOE-VXGBXAGGSA-N 2 2 257.378 0.164 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000676349158 545342140 /nfs/dbraw/zinc/34/21/40/545342140.db2.gz UTWWILGHWGPPOE-VXGBXAGGSA-N 2 2 257.378 0.164 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000676349158 545342141 /nfs/dbraw/zinc/34/21/41/545342141.db2.gz UTWWILGHWGPPOE-VXGBXAGGSA-N 2 2 257.378 0.164 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676388049 545342883 /nfs/dbraw/zinc/34/28/83/545342883.db2.gz ISTRCTXFDMSYDI-RBSFLKMASA-N 2 2 295.427 0.792 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000261606561 535637392 /nfs/dbraw/zinc/63/73/92/535637392.db2.gz ASJXUPBMOUCESS-ZFWWWQNUSA-N 3 2 282.432 0.210 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000261606561 535637398 /nfs/dbraw/zinc/63/73/98/535637398.db2.gz ASJXUPBMOUCESS-ZFWWWQNUSA-N 3 2 282.432 0.210 20 0 CCADLP C[C@@H](C(=O)N(C)C)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000676701463 545349433 /nfs/dbraw/zinc/34/94/33/545349433.db2.gz DYCKSJUVEGYYON-KBPBESRZSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@@H](C(=O)N(C)C)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000676701463 545349434 /nfs/dbraw/zinc/34/94/34/545349434.db2.gz DYCKSJUVEGYYON-KBPBESRZSA-N 2 2 282.432 0.175 20 0 CCADLP CCC[C@@H](O)CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000676753699 545351245 /nfs/dbraw/zinc/35/12/45/545351245.db2.gz AEFLPJIWOBVCMC-CQSZACIVSA-N 2 2 285.432 0.680 20 0 CCADLP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000676842982 545353661 /nfs/dbraw/zinc/35/36/61/545353661.db2.gz LAPCHMQYRXSKSL-JSGCOSHPSA-N 2 2 292.383 0.282 20 0 CCADLP CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000676842982 545353662 /nfs/dbraw/zinc/35/36/62/545353662.db2.gz LAPCHMQYRXSKSL-JSGCOSHPSA-N 2 2 292.383 0.282 20 0 CCADLP CCN(C)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000369601499 535720876 /nfs/dbraw/zinc/72/08/76/535720876.db2.gz KHDMILWPALSOQY-CYBMUJFWSA-N 2 2 253.390 0.882 20 0 CCADLP CCN(C)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000369601499 535720883 /nfs/dbraw/zinc/72/08/83/535720883.db2.gz KHDMILWPALSOQY-CYBMUJFWSA-N 2 2 253.390 0.882 20 0 CCADLP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2c[nH+]c(C)n2C)CC1 ZINC000518218337 535741717 /nfs/dbraw/zinc/74/17/17/535741717.db2.gz HBKQSBOKVFCJAR-CYBMUJFWSA-N 3 2 279.432 0.844 20 0 CCADLP CC[N@H+](C)CCNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368188355 535750124 /nfs/dbraw/zinc/75/01/24/535750124.db2.gz CFNZZPUDOIRFNY-SNVBAGLBSA-N 2 2 265.361 0.518 20 0 CCADLP CC[N@@H+](C)CCNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368188355 535750129 /nfs/dbraw/zinc/75/01/29/535750129.db2.gz CFNZZPUDOIRFNY-SNVBAGLBSA-N 2 2 265.361 0.518 20 0 CCADLP CC[N@H+](C)CCNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368188355 535750133 /nfs/dbraw/zinc/75/01/33/535750133.db2.gz CFNZZPUDOIRFNY-SNVBAGLBSA-N 2 2 265.361 0.518 20 0 CCADLP CC[N@@H+](C)CCNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368188355 535750138 /nfs/dbraw/zinc/75/01/38/535750138.db2.gz CFNZZPUDOIRFNY-SNVBAGLBSA-N 2 2 265.361 0.518 20 0 CCADLP C[NH+](C)CCNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000371257274 535884166 /nfs/dbraw/zinc/88/41/66/535884166.db2.gz FZCGZDYJMLDCDO-UHFFFAOYSA-N 2 2 288.355 0.628 20 0 CCADLP CC[C@H]1CCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000348143787 536075454 /nfs/dbraw/zinc/07/54/54/536075454.db2.gz AFGFDEUFRXQQOY-STQMWFEESA-N 2 2 253.390 0.929 20 0 CCADLP COCC[C@H](C)[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678079790 545383933 /nfs/dbraw/zinc/38/39/33/545383933.db2.gz DAIDCKFNCRTNQE-JSGCOSHPSA-N 2 2 283.416 0.826 20 0 CCADLP COCC[C@H](C)[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678079790 545383934 /nfs/dbraw/zinc/38/39/34/545383934.db2.gz DAIDCKFNCRTNQE-JSGCOSHPSA-N 2 2 283.416 0.826 20 0 CCADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3cnc(N)s3)CC2)C1 ZINC000678258636 545387763 /nfs/dbraw/zinc/38/77/63/545387763.db2.gz HKTUTNRIMNCPBO-GFCCVEGCSA-N 2 2 295.456 0.937 20 0 CCADLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3cnc(N)s3)CC2)C1 ZINC000678258636 545387764 /nfs/dbraw/zinc/38/77/64/545387764.db2.gz HKTUTNRIMNCPBO-GFCCVEGCSA-N 2 2 295.456 0.937 20 0 CCADLP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261584747 536162837 /nfs/dbraw/zinc/16/28/37/536162837.db2.gz SOSWRKUSHODUQZ-RVMXOQNASA-N 2 2 253.390 0.831 20 0 CCADLP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261584747 536162840 /nfs/dbraw/zinc/16/28/40/536162840.db2.gz SOSWRKUSHODUQZ-RVMXOQNASA-N 2 2 253.390 0.831 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000678774657 545397141 /nfs/dbraw/zinc/39/71/41/545397141.db2.gz BFLUWWWLGVTIDL-LLVKDONJSA-N 2 2 265.361 0.656 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000678774657 545397142 /nfs/dbraw/zinc/39/71/42/545397142.db2.gz BFLUWWWLGVTIDL-LLVKDONJSA-N 2 2 265.361 0.656 20 0 CCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cccc(CO)c1 ZINC000678946797 545400260 /nfs/dbraw/zinc/40/02/60/545400260.db2.gz YXIQVECZRAXVKU-CYBMUJFWSA-N 2 2 291.395 0.604 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCc2cccs2)[C@@H](C[NH3+])C1 ZINC000516568752 536404127 /nfs/dbraw/zinc/40/41/27/536404127.db2.gz XLGBVKBXGULPOO-NSHDSACASA-N 2 2 267.398 0.782 20 0 CCADLP C[N@H+]1CCN(C(=O)CCc2cccs2)[C@@H](C[NH3+])C1 ZINC000516568752 536404130 /nfs/dbraw/zinc/40/41/30/536404130.db2.gz XLGBVKBXGULPOO-NSHDSACASA-N 2 2 267.398 0.782 20 0 CCADLP C(C[NH+]1CCOCC1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000678994741 545400974 /nfs/dbraw/zinc/40/09/74/545400974.db2.gz HPNLGRLSSPQLAR-HNNXBMFYSA-N 2 2 283.416 0.115 20 0 CCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@H](C[NH3+])C3)cn2)CC1 ZINC000347151133 536426066 /nfs/dbraw/zinc/42/60/66/536426066.db2.gz ZKBOEIRRLMRTMR-CYBMUJFWSA-N 3 2 290.415 0.009 20 0 CCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@H](C[NH3+])C3)cn2)CC1 ZINC000347151133 536426069 /nfs/dbraw/zinc/42/60/69/536426069.db2.gz ZKBOEIRRLMRTMR-CYBMUJFWSA-N 3 2 290.415 0.009 20 0 CCADLP CN1CC[C@@H]([N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1=O ZINC000246185447 536452704 /nfs/dbraw/zinc/45/27/04/536452704.db2.gz LHPPWNQTQHNDTJ-QWHCGFSZSA-N 2 2 251.374 0.635 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC=CCC2)CC1 ZINC000679324354 545407300 /nfs/dbraw/zinc/40/73/00/545407300.db2.gz QGUMECRPVFPHFQ-ZDUSSCGKSA-N 2 2 251.374 0.801 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC=CCC2)CC1 ZINC000679324354 545407301 /nfs/dbraw/zinc/40/73/01/545407301.db2.gz QGUMECRPVFPHFQ-ZDUSSCGKSA-N 2 2 251.374 0.801 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1c[nH+]cn1C ZINC000357776067 536861329 /nfs/dbraw/zinc/86/13/29/536861329.db2.gz DTXVKQPQWGXEIB-GFCCVEGCSA-N 2 2 295.387 0.330 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCc1c[nH+]cn1C ZINC000357776067 536861333 /nfs/dbraw/zinc/86/13/33/536861333.db2.gz DTXVKQPQWGXEIB-GFCCVEGCSA-N 2 2 295.387 0.330 20 0 CCADLP C[N@@H+]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000681579598 545456859 /nfs/dbraw/zinc/45/68/59/545456859.db2.gz ZGFUQTHRGSZNNH-LBPRGKRZSA-N 2 2 262.357 0.610 20 0 CCADLP C[N@H+]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000681579598 545456860 /nfs/dbraw/zinc/45/68/60/545456860.db2.gz ZGFUQTHRGSZNNH-LBPRGKRZSA-N 2 2 262.357 0.610 20 0 CCADLP C[C@@H]1CN(c2cc(-n3cc[nH+]c3)ncn2)CC[N@@H+]1CCO ZINC000681674695 545459256 /nfs/dbraw/zinc/45/92/56/545459256.db2.gz OMPBCQGZGBNDHU-GFCCVEGCSA-N 2 2 288.355 0.165 20 0 CCADLP C[C@@H]1CN(c2cc(-n3cc[nH+]c3)ncn2)CC[N@H+]1CCO ZINC000681674695 545459257 /nfs/dbraw/zinc/45/92/57/545459257.db2.gz OMPBCQGZGBNDHU-GFCCVEGCSA-N 2 2 288.355 0.165 20 0 CCADLP CC(C)OC1CC([NH2+]CC(=O)N2CC[NH+](C)CC2)C1 ZINC000681751331 545461573 /nfs/dbraw/zinc/46/15/73/545461573.db2.gz SRSNSANCIUVYME-UHFFFAOYSA-N 2 2 269.389 0.306 20 0 CCADLP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682488280 545480475 /nfs/dbraw/zinc/48/04/75/545480475.db2.gz CHOARWLZLLXEII-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000682502110 545481103 /nfs/dbraw/zinc/48/11/03/545481103.db2.gz HOWSCCCARIIGKX-STQMWFEESA-N 2 2 292.383 0.282 20 0 CCADLP CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000682502110 545481104 /nfs/dbraw/zinc/48/11/04/545481104.db2.gz HOWSCCCARIIGKX-STQMWFEESA-N 2 2 292.383 0.282 20 0 CCADLP CN(CC[NH+](C)C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682507657 545481418 /nfs/dbraw/zinc/48/14/18/545481418.db2.gz SWSDRKFWGMIJJP-NSHDSACASA-N 2 2 250.346 0.466 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000683667447 545555820 /nfs/dbraw/zinc/55/58/20/545555820.db2.gz 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C1CCC2(C1)[C@H]([NH2+][C@@H]1C[NH2+]CCOC1)[C@H]1CCO[C@@H]12 ZINC000925635304 613224525 /nfs/dbraw/zinc/22/45/25/613224525.db2.gz UFSPMLSVRRWSJD-SYQHCUMBSA-N 2 2 266.385 0.912 20 0 CCADLP C1CC1[C@@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@@H]1C[NH2+]CCO1 ZINC000902452824 613230530 /nfs/dbraw/zinc/23/05/30/613230530.db2.gz MIYLSDKTSMSUEJ-LEXUZLFXSA-N 2 2 264.369 0.519 20 0 CCADLP C([NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261514 613230821 /nfs/dbraw/zinc/23/08/21/613230821.db2.gz PGHLFCUPFQRXOQ-TXUJKZCJSA-N 3 2 279.428 0.874 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC[C@@H]([NH2+]C2CSC2)C1 ZINC000895688482 613231315 /nfs/dbraw/zinc/23/13/15/613231315.db2.gz VNCAMGZWPCOBMK-CYBMUJFWSA-N 2 2 285.457 0.488 20 0 CCADLP C/C(=C\C(=O)NC[C@H](C)[N@H+](C)C1CC1)C[NH+]1CCOCC1 ZINC000900542318 613257025 /nfs/dbraw/zinc/25/70/25/613257025.db2.gz MREVNQXIZGLVMF-UELRPHRMSA-N 2 2 295.427 0.864 20 0 CCADLP C/C(=C\C(=O)NC[C@H](C)[N@@H+](C)C1CC1)C[NH+]1CCOCC1 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ZINC000906084002 614192577 /nfs/dbraw/zinc/19/25/77/614192577.db2.gz ZFLSUOGIVXOIMV-RWMBFGLXSA-N 2 2 271.405 0.585 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000040770465 614217676 /nfs/dbraw/zinc/21/76/76/614217676.db2.gz QQVQKNFNWDSGRY-GJZGRUSLSA-N 2 2 298.475 0.748 20 0 CCADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCn1cc[nH+]c1 ZINC000743307265 614237842 /nfs/dbraw/zinc/23/78/42/614237842.db2.gz PBOCFYFCAGMBQO-AWEZNQCLSA-N 2 2 294.399 0.793 20 0 CCADLP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972427153 614274678 /nfs/dbraw/zinc/27/46/78/614274678.db2.gz UTFPEZHBUMDZMA-GFCCVEGCSA-N 2 2 250.346 0.893 20 0 CCADLP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972427153 614274680 /nfs/dbraw/zinc/27/46/80/614274680.db2.gz UTFPEZHBUMDZMA-GFCCVEGCSA-N 2 2 250.346 0.893 20 0 CCADLP CC(C)[C@](C)(C[NH3+])NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000911833849 614287552 /nfs/dbraw/zinc/28/75/52/614287552.db2.gz SHERTBBPSVCWGX-FZMZJTMJSA-N 2 2 264.373 0.935 20 0 CCADLP CC(C)[NH+]1CC(N2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC000941686200 614315769 /nfs/dbraw/zinc/31/57/69/614315769.db2.gz FXEITBXQSYTWLH-UHFFFAOYSA-N 2 2 291.399 0.120 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000820918168 614350201 /nfs/dbraw/zinc/35/02/01/614350201.db2.gz YGXBGLGBIUJLJS-ILXRZTDVSA-N 2 2 295.427 0.791 20 0 CCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000820918168 614350204 /nfs/dbraw/zinc/35/02/04/614350204.db2.gz YGXBGLGBIUJLJS-ILXRZTDVSA-N 2 2 295.427 0.791 20 0 CCADLP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000820918168 614350205 /nfs/dbraw/zinc/35/02/05/614350205.db2.gz YGXBGLGBIUJLJS-ILXRZTDVSA-N 2 2 295.427 0.791 20 0 CCADLP CCCN(CC[NH+](C)C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865178520 614579255 /nfs/dbraw/zinc/57/92/55/614579255.db2.gz XCTMQVGIRCDTKW-NSHDSACASA-N 2 2 254.334 0.243 20 0 CCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N(CC)C2C[NH+](CCO)C2)C1 ZINC000951214541 614646872 /nfs/dbraw/zinc/64/68/72/614646872.db2.gz KZMNUGJPVUIXRF-CQSZACIVSA-N 2 2 297.443 0.633 20 0 CCADLP CCC[N@H+]1CCC[C@@H](C(=O)N(CC)C2C[NH+](CCO)C2)C1 ZINC000951214541 614646874 /nfs/dbraw/zinc/64/68/74/614646874.db2.gz KZMNUGJPVUIXRF-CQSZACIVSA-N 2 2 297.443 0.633 20 0 CCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@H]2C[NH+](C)CCO2)C1 ZINC000913506872 614646935 /nfs/dbraw/zinc/64/69/35/614646935.db2.gz IGYNNAJTXHZPDO-HUUCEWRRSA-N 2 2 297.443 0.897 20 0 CCADLP CCC[N@H+]1CCC[C@@H](C(=O)N(C)C[C@H]2C[NH+](C)CCO2)C1 ZINC000913506872 614646937 /nfs/dbraw/zinc/64/69/37/614646937.db2.gz IGYNNAJTXHZPDO-HUUCEWRRSA-N 2 2 297.443 0.897 20 0 CCADLP CCC[NH+]1CCC[C@@H](C(=O)N(C)C[C@H]2C[N@H+](C)CCO2)C1 ZINC000913506872 614646940 /nfs/dbraw/zinc/64/69/40/614646940.db2.gz IGYNNAJTXHZPDO-HUUCEWRRSA-N 2 2 297.443 0.897 20 0 CCADLP CCC[NH+]1CCC[C@@H](C(=O)N(C)C[C@H]2C[N@@H+](C)CCO2)C1 ZINC000913506872 614646942 /nfs/dbraw/zinc/64/69/42/614646942.db2.gz IGYNNAJTXHZPDO-HUUCEWRRSA-N 2 2 297.443 0.897 20 0 CCADLP CC1(C)C[N@H+](CCO)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941129767 614657352 /nfs/dbraw/zinc/65/73/52/614657352.db2.gz LVSAGJWCIDBWII-NSHDSACASA-N 2 2 280.372 0.161 20 0 CCADLP CC1(C)C[N@@H+](CCO)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941129767 614657354 /nfs/dbraw/zinc/65/73/54/614657354.db2.gz LVSAGJWCIDBWII-NSHDSACASA-N 2 2 280.372 0.161 20 0 CCADLP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH+]2CCO[C@@H](C)C2)C1 ZINC000906488739 614669536 /nfs/dbraw/zinc/66/95/36/614669536.db2.gz NMYASCWCGLSYTF-GJZGRUSLSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH+]2CCO[C@@H](C)C2)C1 ZINC000906488739 614669538 /nfs/dbraw/zinc/66/95/38/614669538.db2.gz NMYASCWCGLSYTF-GJZGRUSLSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[NH+]1CCC[C@H](C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000906488739 614669540 /nfs/dbraw/zinc/66/95/40/614669540.db2.gz NMYASCWCGLSYTF-GJZGRUSLSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[NH+]1CCC[C@H](C(=O)NCC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000906488739 614669544 /nfs/dbraw/zinc/66/95/44/614669544.db2.gz NMYASCWCGLSYTF-GJZGRUSLSA-N 2 2 297.443 0.945 20 0 CCADLP CC1(C)CNC(=O)[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000895322529 614696593 /nfs/dbraw/zinc/69/65/93/614696593.db2.gz UQCCHGQBVYSLKS-UONOGXRCSA-N 2 2 295.427 0.744 20 0 CCADLP CC1(C)C[NH2+]C[C@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000884405680 614708471 /nfs/dbraw/zinc/70/84/71/614708471.db2.gz ZUXMBICQNMRUIX-OLZOCXBDSA-N 2 2 281.400 0.165 20 0 CCADLP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2nnc3n2CCNC3=O)C1 ZINC000925765971 614774825 /nfs/dbraw/zinc/77/48/25/614774825.db2.gz NTAKSCWVWCONCI-NXEZZACHSA-N 2 2 292.387 0.017 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000876708124 614845206 /nfs/dbraw/zinc/84/52/06/614845206.db2.gz XJAMRNBXPVYROX-GHMZBOCLSA-N 2 2 250.346 0.763 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC([C@H]2COC(=O)N2)CC1 ZINC000932774168 614849590 /nfs/dbraw/zinc/84/95/90/614849590.db2.gz UMIIITOJEGSWOB-CHWSQXEVSA-N 2 2 285.388 0.119 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC([C@H]2COC(=O)N2)CC1 ZINC000932774168 614849591 /nfs/dbraw/zinc/84/95/91/614849591.db2.gz UMIIITOJEGSWOB-CHWSQXEVSA-N 2 2 285.388 0.119 20 0 CCADLP CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000960526306 614858368 /nfs/dbraw/zinc/85/83/68/614858368.db2.gz JTALUNYEFGGWAE-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000960526306 614858370 /nfs/dbraw/zinc/85/83/70/614858370.db2.gz JTALUNYEFGGWAE-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000960526306 614858372 /nfs/dbraw/zinc/85/83/72/614858372.db2.gz JTALUNYEFGGWAE-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000960526306 614858373 /nfs/dbraw/zinc/85/83/73/614858373.db2.gz JTALUNYEFGGWAE-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000876733451 614860049 /nfs/dbraw/zinc/86/00/49/614860049.db2.gz YGGBVCXLLCAKKJ-MELADBBJSA-N 2 2 295.427 0.683 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(N(C)CC(F)F)CC1 ZINC000846828571 614866485 /nfs/dbraw/zinc/86/64/85/614866485.db2.gz LJMZUOKQNAGRGH-ZDUSSCGKSA-N 2 2 293.402 0.960 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(N(C)CC(F)F)CC1 ZINC000846828571 614866486 /nfs/dbraw/zinc/86/64/86/614866486.db2.gz LJMZUOKQNAGRGH-ZDUSSCGKSA-N 2 2 293.402 0.960 20 0 CCADLP CC1(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)OCCO1 ZINC000817916532 614905481 /nfs/dbraw/zinc/90/54/81/614905481.db2.gz GZWGNQLQMXAWOY-VXGBXAGGSA-N 2 2 256.346 0.106 20 0 CCADLP CCCOC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000842478714 614932142 /nfs/dbraw/zinc/93/21/42/614932142.db2.gz NSQAYLAAJUVXPS-WCQYABFASA-N 2 2 295.387 0.715 20 0 CCADLP CCCOC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000842478714 614932146 /nfs/dbraw/zinc/93/21/46/614932146.db2.gz NSQAYLAAJUVXPS-WCQYABFASA-N 2 2 295.387 0.715 20 0 CCADLP CCCC[NH+]1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000957893297 614993134 /nfs/dbraw/zinc/99/31/34/614993134.db2.gz KFNYGPQHGJICGB-UHFFFAOYSA-N 2 2 250.346 0.827 20 0 CCADLP CCCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000957724545 614994865 /nfs/dbraw/zinc/99/48/65/614994865.db2.gz VZYDZDQWQYVDEP-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP CCCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000957724545 614994866 /nfs/dbraw/zinc/99/48/66/614994866.db2.gz VZYDZDQWQYVDEP-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP CC1=NO[C@H](C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000827413472 615000066 /nfs/dbraw/zinc/00/00/66/615000066.db2.gz GYJXQBUIBZRVGZ-JSGCOSHPSA-N 2 2 294.399 0.436 20 0 CCADLP CC1=NO[C@H](C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000827413472 615000067 /nfs/dbraw/zinc/00/00/67/615000067.db2.gz GYJXQBUIBZRVGZ-JSGCOSHPSA-N 2 2 294.399 0.436 20 0 CCADLP CC[NH+](CC)C[C@@H](C)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865806098 615001640 /nfs/dbraw/zinc/00/16/40/615001640.db2.gz GCQDEJZNXJQVRC-PSKZRQQASA-N 2 2 283.416 0.721 20 0 CCADLP CCN(C(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1C[NH+](CC)C1 ZINC000950381214 615082805 /nfs/dbraw/zinc/08/28/05/615082805.db2.gz MSNPUMYBHMENNZ-GXTWGEPZSA-N 2 2 281.400 0.402 20 0 CCADLP CCN(C(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1)C1C[NH+](CC)C1 ZINC000950381214 615082807 /nfs/dbraw/zinc/08/28/07/615082807.db2.gz MSNPUMYBHMENNZ-GXTWGEPZSA-N 2 2 281.400 0.402 20 0 CCADLP CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000959938376 615089078 /nfs/dbraw/zinc/08/90/78/615089078.db2.gz POMYDLUXYORBCS-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000959938376 615089080 /nfs/dbraw/zinc/08/90/80/615089080.db2.gz POMYDLUXYORBCS-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP CC[N@@H+]1CCCN(C(=O)/C=C(\C)C[NH+]2CCOCC2)CC1 ZINC000900631687 615116256 /nfs/dbraw/zinc/11/62/56/615116256.db2.gz DDPSLDZHKNMUNU-FYWRMAATSA-N 2 2 295.427 0.819 20 0 CCADLP CC[N@H+]1CCCN(C(=O)/C=C(\C)C[NH+]2CCOCC2)CC1 ZINC000900631687 615116258 /nfs/dbraw/zinc/11/62/58/615116258.db2.gz DDPSLDZHKNMUNU-FYWRMAATSA-N 2 2 295.427 0.819 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864609882 615145167 /nfs/dbraw/zinc/14/51/67/615145167.db2.gz HMADKDURRCNJQH-YVZNUBBCSA-N 2 2 281.400 0.475 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864609882 615145168 /nfs/dbraw/zinc/14/51/68/615145168.db2.gz HMADKDURRCNJQH-YVZNUBBCSA-N 2 2 281.400 0.475 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(F)CC2)CC1 ZINC000880242839 615152245 /nfs/dbraw/zinc/15/22/45/615152245.db2.gz MZRQOYANABZVJD-LBPRGKRZSA-N 2 2 271.380 0.973 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)OCCn2cc[nH+]c2C)C1 ZINC000805472886 615173064 /nfs/dbraw/zinc/17/30/64/615173064.db2.gz PJBCSDAUDRTILV-GFCCVEGCSA-N 2 2 267.329 0.455 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)OCCn2cc[nH+]c2C)C1 ZINC000805472886 615173066 /nfs/dbraw/zinc/17/30/66/615173066.db2.gz PJBCSDAUDRTILV-GFCCVEGCSA-N 2 2 267.329 0.455 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH+](C)CCF)C2)C1 ZINC000980448012 615181722 /nfs/dbraw/zinc/18/17/22/615181722.db2.gz ITKAEZMQJIUDPU-STQMWFEESA-N 2 2 287.379 0.209 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH+](C)CCF)C2)C1 ZINC000980448012 615181725 /nfs/dbraw/zinc/18/17/25/615181725.db2.gz ITKAEZMQJIUDPU-STQMWFEESA-N 2 2 287.379 0.209 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]([N@H+](C)CCF)C2)C1 ZINC000980448012 615181726 /nfs/dbraw/zinc/18/17/26/615181726.db2.gz ITKAEZMQJIUDPU-STQMWFEESA-N 2 2 287.379 0.209 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]([N@@H+](C)CCF)C2)C1 ZINC000980448012 615181728 /nfs/dbraw/zinc/18/17/28/615181728.db2.gz ITKAEZMQJIUDPU-STQMWFEESA-N 2 2 287.379 0.209 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)N(C)[C@@H]2CC[NH+]3CCO[C@H]2C3)C1 ZINC000413851201 615214933 /nfs/dbraw/zinc/21/49/33/615214933.db2.gz DOXOVMMEJYKAFQ-MCIONIFRSA-N 2 2 296.415 0.195 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)N(C)[C@@H]2CC[NH+]3CCO[C@H]2C3)C1 ZINC000413851201 615214936 /nfs/dbraw/zinc/21/49/36/615214936.db2.gz DOXOVMMEJYKAFQ-MCIONIFRSA-N 2 2 296.415 0.195 20 0 CCADLP CC[NH+]1CC[C@@H](NC(=O)N(C)[C@@H]2CC[N@@H+]3CCO[C@H]2C3)C1 ZINC000413851201 615214938 /nfs/dbraw/zinc/21/49/38/615214938.db2.gz DOXOVMMEJYKAFQ-MCIONIFRSA-N 2 2 296.415 0.195 20 0 CCADLP CCOCCOCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000931067947 615271632 /nfs/dbraw/zinc/27/16/32/615271632.db2.gz VGFBEEZCPOZNCE-HNNXBMFYSA-N 2 2 286.416 0.571 20 0 CCADLP CCOCCOCC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000931067947 615271634 /nfs/dbraw/zinc/27/16/34/615271634.db2.gz VGFBEEZCPOZNCE-HNNXBMFYSA-N 2 2 286.416 0.571 20 0 CCADLP CCOCCOCC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000930066293 615273048 /nfs/dbraw/zinc/27/30/48/615273048.db2.gz DCMPYNHHOOESQK-UHFFFAOYSA-N 2 2 282.388 0.595 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000948089583 615282730 /nfs/dbraw/zinc/28/27/30/615282730.db2.gz CUHRHCWWMUMGQB-NEPJUHHUSA-N 2 2 250.346 0.872 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000948089583 615282731 /nfs/dbraw/zinc/28/27/31/615282731.db2.gz CUHRHCWWMUMGQB-NEPJUHHUSA-N 2 2 250.346 0.872 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000883274188 615317216 /nfs/dbraw/zinc/31/72/16/615317216.db2.gz AUEWOODSYMOUNY-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000883274188 615317218 /nfs/dbraw/zinc/31/72/18/615317218.db2.gz AUEWOODSYMOUNY-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH+]1CC[C@H]1CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000883274188 615317221 /nfs/dbraw/zinc/31/72/21/615317221.db2.gz AUEWOODSYMOUNY-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH+]1CC[C@H]1CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000883274188 615317223 /nfs/dbraw/zinc/31/72/23/615317223.db2.gz AUEWOODSYMOUNY-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]1C[NH+]1CCC([NH2+]CCO)CC1 ZINC000903779153 615320650 /nfs/dbraw/zinc/32/06/50/615320650.db2.gz UUZDTPNZZNIPMW-WCQYABFASA-N 2 2 270.373 0.232 20 0 CCADLP CCON(CC)C(=O)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000862452621 615349100 /nfs/dbraw/zinc/34/91/00/615349100.db2.gz FXYCKIYBOSBWPO-CQSZACIVSA-N 2 2 299.415 0.629 20 0 CCADLP CCON(CC)C(=O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000877651563 615350160 /nfs/dbraw/zinc/35/01/60/615350160.db2.gz YITWQDKMRZOXML-NWDGAFQWSA-N 2 2 257.378 0.859 20 0 CCADLP CCON(CC)C(=O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000877651563 615350163 /nfs/dbraw/zinc/35/01/63/615350163.db2.gz YITWQDKMRZOXML-NWDGAFQWSA-N 2 2 257.378 0.859 20 0 CCADLP CC[C@@H](C(=O)N1CCN(Cc2c[nH+]cn2C)CC1)[NH+](C)C ZINC000950552139 615371978 /nfs/dbraw/zinc/37/19/78/615371978.db2.gz RFKGCPPTMLTFEV-AWEZNQCLSA-N 2 2 293.415 0.405 20 0 CCADLP CC[C@@H](C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)[NH+](C)C ZINC000900595448 615385272 /nfs/dbraw/zinc/38/52/72/615385272.db2.gz XYGRCCDWMZFTSX-AGIUHOORSA-N 2 2 271.405 0.552 20 0 CCADLP CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000958183952 615407633 /nfs/dbraw/zinc/40/76/33/615407633.db2.gz SHEPASWIQLDXKB-FZMZJTMJSA-N 2 2 288.351 0.605 20 0 CCADLP CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000958183952 615407635 /nfs/dbraw/zinc/40/76/35/615407635.db2.gz SHEPASWIQLDXKB-FZMZJTMJSA-N 2 2 288.351 0.605 20 0 CCADLP CCO[C@@H](C[NH2+]C[C@](C)(O)C(F)F)C[NH+](C)C ZINC000905580799 615410194 /nfs/dbraw/zinc/41/01/94/615410194.db2.gz QCKDTTMNVAEPHF-ONGXEEELSA-N 2 2 254.321 0.559 20 0 CCADLP CCO[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C[NH3+] ZINC000884386568 615415207 /nfs/dbraw/zinc/41/52/07/615415207.db2.gz TVEIEPGYSTZBOV-CHWSQXEVSA-N 2 2 294.399 0.749 20 0 CCADLP CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000958183953 615423034 /nfs/dbraw/zinc/42/30/34/615423034.db2.gz SHEPASWIQLDXKB-RISCZKNCSA-N 2 2 288.351 0.605 20 0 CCADLP CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000958183953 615423037 /nfs/dbraw/zinc/42/30/37/615423037.db2.gz SHEPASWIQLDXKB-RISCZKNCSA-N 2 2 288.351 0.605 20 0 CCADLP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000960645343 615439257 /nfs/dbraw/zinc/43/92/57/615439257.db2.gz GEGNHJJYHOWUQX-FJJYHAOUSA-N 2 2 288.395 0.889 20 0 CCADLP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000960645343 615439258 /nfs/dbraw/zinc/43/92/58/615439258.db2.gz GEGNHJJYHOWUQX-FJJYHAOUSA-N 2 2 288.395 0.889 20 0 CCADLP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000960645343 615439259 /nfs/dbraw/zinc/43/92/59/615439259.db2.gz GEGNHJJYHOWUQX-FJJYHAOUSA-N 2 2 288.395 0.889 20 0 CCADLP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000960645343 615439261 /nfs/dbraw/zinc/43/92/61/615439261.db2.gz GEGNHJJYHOWUQX-FJJYHAOUSA-N 2 2 288.395 0.889 20 0 CCADLP CCNC(=O)C[N@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873203742 615466730 /nfs/dbraw/zinc/46/67/30/615466730.db2.gz MSFSFMJCPHOCPT-UHFFFAOYSA-N 2 2 267.398 0.962 20 0 CCADLP CCNC(=O)C[N@@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873203742 615466731 /nfs/dbraw/zinc/46/67/31/615466731.db2.gz MSFSFMJCPHOCPT-UHFFFAOYSA-N 2 2 267.398 0.962 20 0 CCADLP CC[C@@H](CO)Nc1cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)nc[nH+]1 ZINC000893549427 615491878 /nfs/dbraw/zinc/49/18/78/615491878.db2.gz TWGLZUUTXNXPIP-XQQFMLRXSA-N 2 2 291.399 0.657 20 0 CCADLP CC[C@@H](CO)Nc1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)nc[nH+]1 ZINC000893549427 615491879 /nfs/dbraw/zinc/49/18/79/615491879.db2.gz TWGLZUUTXNXPIP-XQQFMLRXSA-N 2 2 291.399 0.657 20 0 CCADLP CC[C@H](C(=O)N1CC[NH2+][C@@H](C)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000911812683 615564849 /nfs/dbraw/zinc/56/48/49/615564849.db2.gz UFDXSHBIJFATLQ-BFHYXJOUSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@H](C(=O)N[C@@H]1CCC[NH2+]C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911674767 615565062 /nfs/dbraw/zinc/56/50/62/615565062.db2.gz WACOCNQMLGIWMO-MGPQQGTHSA-N 2 2 283.416 0.744 20 0 CCADLP CC[C@H](C(=O)N[C@@H]1CCC[NH2+]C1)[N@H+]1CCO[C@H](CC)C1 ZINC000911674767 615565063 /nfs/dbraw/zinc/56/50/63/615565063.db2.gz WACOCNQMLGIWMO-MGPQQGTHSA-N 2 2 283.416 0.744 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000877434008 615568619 /nfs/dbraw/zinc/56/86/19/615568619.db2.gz LWTDKFAKYHLHMW-IIAWOOMASA-N 2 2 295.427 0.603 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000877434008 615568620 /nfs/dbraw/zinc/56/86/20/615568620.db2.gz LWTDKFAKYHLHMW-IIAWOOMASA-N 2 2 295.427 0.603 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1cccc(C[NH3+])c1 ZINC000877432736 615569337 /nfs/dbraw/zinc/56/93/37/615569337.db2.gz GJGOQLZEOZGWHN-OAHLLOKOSA-N 2 2 291.395 0.986 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)c1cccc(C[NH3+])c1 ZINC000877432736 615569338 /nfs/dbraw/zinc/56/93/38/615569338.db2.gz GJGOQLZEOZGWHN-OAHLLOKOSA-N 2 2 291.395 0.986 20 0 CCADLP CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000877964811 615570293 /nfs/dbraw/zinc/57/02/93/615570293.db2.gz UCXYJHKNHFNZQE-TZMCWYRMSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000877964811 615570294 /nfs/dbraw/zinc/57/02/94/615570294.db2.gz UCXYJHKNHFNZQE-TZMCWYRMSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@@](C)(O)c1cn(CC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000864648005 615592206 /nfs/dbraw/zinc/59/22/06/615592206.db2.gz PJINFHUSURLZCN-CQSZACIVSA-N 2 2 283.420 0.779 20 0 CCADLP CC[C@@](C)(O)c1cn(CC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000864648005 615592207 /nfs/dbraw/zinc/59/22/07/615592207.db2.gz PJINFHUSURLZCN-CQSZACIVSA-N 2 2 283.420 0.779 20 0 CCADLP CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)o2)C1)[NH+](C)C ZINC000969074787 615602719 /nfs/dbraw/zinc/60/27/19/615602719.db2.gz SNFJDFJTEMQFAA-VXGBXAGGSA-N 2 2 295.387 0.409 20 0 CCADLP CCn1c[nH+]c2c1CCN(C[C@@H]1C[C@H](F)C[NH2+]1)C2 ZINC000923558738 615629187 /nfs/dbraw/zinc/62/91/87/615629187.db2.gz UQKKROSDXHRSKM-QWRGUYRKSA-N 2 2 252.337 0.961 20 0 CCADLP CCc1cc(NC[C@@H](O)C[NH+](C)C)nc(CC)[nH+]1 ZINC000891745213 615658397 /nfs/dbraw/zinc/65/83/97/615658397.db2.gz GEEXVQYNJVZWQB-LLVKDONJSA-N 2 2 252.362 0.936 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000914314723 615717591 /nfs/dbraw/zinc/71/75/91/615717591.db2.gz BQVFYHJTQKIMEY-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000914314723 615717592 /nfs/dbraw/zinc/71/75/92/615717592.db2.gz BQVFYHJTQKIMEY-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H]2CCC3(CCC3)O2)CC1 ZINC000877959386 615863651 /nfs/dbraw/zinc/86/36/51/615863651.db2.gz VSTWGSXKJXKHDU-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cc1[nH]cc[nH+]1 ZINC000816933878 615880888 /nfs/dbraw/zinc/88/08/88/615880888.db2.gz LWSFXRDJKNSCHP-UHFFFAOYSA-N 3 2 295.431 0.684 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](C[C@H]2CCC=CO2)CC1=O ZINC000846013027 615899256 /nfs/dbraw/zinc/89/92/56/615899256.db2.gz JCQXVJWOZGRXSW-CYBMUJFWSA-N 2 2 267.373 0.385 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](C[C@H]2CCC=CO2)CC1=O ZINC000846013027 615899257 /nfs/dbraw/zinc/89/92/57/615899257.db2.gz JCQXVJWOZGRXSW-CYBMUJFWSA-N 2 2 267.373 0.385 20 0 CCADLP C[NH+](C)CCONC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000823254801 615907371 /nfs/dbraw/zinc/90/73/71/615907371.db2.gz DGRSCCHTMXSRCB-VIFPVBQESA-N 2 2 294.277 0.986 20 0 CCADLP CN(C)c1cc(NC[C@](C)(O)C[NH+](C)C)[nH+]cn1 ZINC000892955202 615936206 /nfs/dbraw/zinc/93/62/06/615936206.db2.gz GHIGJLKRCPYSJY-LBPRGKRZSA-N 2 2 253.350 0.267 20 0 CCADLP CN(C)c1cc(NC[C@](C)(O)C[NH+](C)C)nc[nH+]1 ZINC000892955202 615936209 /nfs/dbraw/zinc/93/62/09/615936209.db2.gz GHIGJLKRCPYSJY-LBPRGKRZSA-N 2 2 253.350 0.267 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@@H]2CCC(=O)O2)C1 ZINC000878866530 615937247 /nfs/dbraw/zinc/93/72/47/615937247.db2.gz UPAMGHTVWLWTNC-AAEUAGOBSA-N 2 2 256.346 0.081 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@@H]2CCC(=O)O2)C1 ZINC000878866530 615937248 /nfs/dbraw/zinc/93/72/48/615937248.db2.gz UPAMGHTVWLWTNC-AAEUAGOBSA-N 2 2 256.346 0.081 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858153989 615951422 /nfs/dbraw/zinc/95/14/22/615951422.db2.gz WOLLZRPTIJZWRS-TZMCWYRMSA-N 3 2 257.422 0.761 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858153989 615951426 /nfs/dbraw/zinc/95/14/26/615951426.db2.gz WOLLZRPTIJZWRS-TZMCWYRMSA-N 3 2 257.422 0.761 20 0 CCADLP C[NH+](C)Cc1cnc(C[NH2+]CCN2CC[C@H](O)C2)s1 ZINC000858341128 615957813 /nfs/dbraw/zinc/95/78/13/615957813.db2.gz ZLZLPTQVKRLUIY-NSHDSACASA-N 2 2 284.429 0.361 20 0 CCADLP C[NH+](C)[C@@]1(CNC(=O)Cc2[nH]cc[nH+]2)CCSC1 ZINC000829627441 615986634 /nfs/dbraw/zinc/98/66/34/615986634.db2.gz WCNQWSUWONGPOU-GFCCVEGCSA-N 2 2 268.386 0.506 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C)c1ccco1 ZINC000899957157 615990644 /nfs/dbraw/zinc/99/06/44/615990644.db2.gz JHMLOXOPKGFSEU-LALPHHSUSA-N 2 2 295.383 0.454 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C)c1ccco1 ZINC000899957157 615990646 /nfs/dbraw/zinc/99/06/46/615990646.db2.gz JHMLOXOPKGFSEU-LALPHHSUSA-N 2 2 295.383 0.454 20 0 CCADLP C[N@H+](C1CC([NH3+])C1)[C@H]1CCN(C2CCOCC2)C1=O ZINC000843386940 616039114 /nfs/dbraw/zinc/03/91/14/616039114.db2.gz DDRONVIXMHIQPI-GDKBPFBDSA-N 2 2 267.373 0.188 20 0 CCADLP C[N@@H+](C1CC([NH3+])C1)[C@H]1CCN(C2CCOCC2)C1=O ZINC000843386940 616039115 /nfs/dbraw/zinc/03/91/15/616039115.db2.gz DDRONVIXMHIQPI-GDKBPFBDSA-N 2 2 267.373 0.188 20 0 CCADLP CN(C1CC[NH+](CCC[NH2+]C2CC2)CC1)S(C)(=O)=O ZINC000923310106 616039523 /nfs/dbraw/zinc/03/95/23/616039523.db2.gz XFOUUXSKMNGGKD-UHFFFAOYSA-N 2 2 289.445 0.484 20 0 CCADLP C[N@H+](CC(=O)NC1CC([NH+]2CCOCC2)C1)C1CCC1 ZINC000898094536 616046421 /nfs/dbraw/zinc/04/64/21/616046421.db2.gz OXLFDGZYEYXERY-UHFFFAOYSA-N 2 2 281.400 0.450 20 0 CCADLP C[N@@H+](CC(=O)NC1CC([NH+]2CCOCC2)C1)C1CCC1 ZINC000898094536 616046422 /nfs/dbraw/zinc/04/64/22/616046422.db2.gz OXLFDGZYEYXERY-UHFFFAOYSA-N 2 2 281.400 0.450 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H](O)C[C@@]1(O)CCOC1 ZINC000930124203 616076836 /nfs/dbraw/zinc/07/68/36/616076836.db2.gz HJNMPYDJFRTHOG-KGLIPLIRSA-N 2 2 283.372 0.107 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H](O)C[C@@]1(O)CCOC1 ZINC000930124203 616076837 /nfs/dbraw/zinc/07/68/37/616076837.db2.gz HJNMPYDJFRTHOG-KGLIPLIRSA-N 2 2 283.372 0.107 20 0 CCADLP C[N@H+](CCNC(=O)/C=C/C[NH+]1CCOCC1)C1CCCC1 ZINC000865178609 616090669 /nfs/dbraw/zinc/09/06/69/616090669.db2.gz AIHOEQLKLLEFPX-QPJJXVBHSA-N 2 2 295.427 0.865 20 0 CCADLP C[N@@H+](CCNC(=O)/C=C/C[NH+]1CCOCC1)C1CCCC1 ZINC000865178609 616090670 /nfs/dbraw/zinc/09/06/70/616090670.db2.gz AIHOEQLKLLEFPX-QPJJXVBHSA-N 2 2 295.427 0.865 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CC3(C)COC3)C2)CC1 ZINC000932621087 616172237 /nfs/dbraw/zinc/17/22/37/616172237.db2.gz GHJRTYPZDQBLSC-ZDUSSCGKSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CC3(C)COC3)C2)CC1 ZINC000932621087 616172239 /nfs/dbraw/zinc/17/22/39/616172239.db2.gz GHJRTYPZDQBLSC-ZDUSSCGKSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)NC1CC[NH+](C)CC1 ZINC000878319451 616172836 /nfs/dbraw/zinc/17/28/36/616172836.db2.gz RYNYPYMJNKOHER-UHFFFAOYSA-N 3 2 293.415 0.415 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)NC1CC[NH+](C)CC1 ZINC000878319451 616172837 /nfs/dbraw/zinc/17/28/37/616172837.db2.gz RYNYPYMJNKOHER-UHFFFAOYSA-N 3 2 293.415 0.415 20 0 CCADLP C[NH+]1CCC([NH2+]CC[S@@](=O)CC(F)(F)F)CC1 ZINC000850350171 616174335 /nfs/dbraw/zinc/17/43/35/616174335.db2.gz OZZJPWPSATUPJK-QGZVFWFLSA-N 2 2 272.336 0.981 20 0 CCADLP C[NH+]1CCC(ONC(=O)CCCn2cc[nH+]c2)CC1 ZINC000816534106 616175989 /nfs/dbraw/zinc/17/59/89/616175989.db2.gz WWDAINHHRRYZGV-UHFFFAOYSA-N 2 2 266.345 0.805 20 0 CCADLP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925608952 616186083 /nfs/dbraw/zinc/18/60/83/616186083.db2.gz MNGMOGKRXSMIIQ-OAHLLOKOSA-N 3 2 280.460 0.888 20 0 CCADLP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925608952 616186084 /nfs/dbraw/zinc/18/60/84/616186084.db2.gz MNGMOGKRXSMIIQ-OAHLLOKOSA-N 3 2 280.460 0.888 20 0 CCADLP C[N@@H+]1CCC[C@@H](CNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000865609565 616188077 /nfs/dbraw/zinc/18/80/77/616188077.db2.gz XVILYWMWCYPKDX-KQIUPUNMSA-N 2 2 281.400 0.333 20 0 CCADLP C[N@H+]1CCC[C@@H](CNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000865609565 616188078 /nfs/dbraw/zinc/18/80/78/616188078.db2.gz XVILYWMWCYPKDX-KQIUPUNMSA-N 2 2 281.400 0.333 20 0 CCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC000830401451 616197794 /nfs/dbraw/zinc/19/77/94/616197794.db2.gz KRFDSCCLUBZLPZ-NEPJUHHUSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC000830401451 616197795 /nfs/dbraw/zinc/19/77/95/616197795.db2.gz KRFDSCCLUBZLPZ-NEPJUHHUSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H](O)C1(O)CCC1 ZINC000931623191 616199537 /nfs/dbraw/zinc/19/95/37/616199537.db2.gz WWWWAKVXFUFFIV-YNEHKIRRSA-N 2 2 254.374 0.431 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H](O)C1(O)CCC1 ZINC000931623191 616199538 /nfs/dbraw/zinc/19/95/38/616199538.db2.gz WWWWAKVXFUFFIV-YNEHKIRRSA-N 2 2 254.374 0.431 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H](O)C1(O)CCC1 ZINC000931623191 616199539 /nfs/dbraw/zinc/19/95/39/616199539.db2.gz WWWWAKVXFUFFIV-YNEHKIRRSA-N 2 2 254.374 0.431 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H](O)C1(O)CCC1 ZINC000931623191 616199540 /nfs/dbraw/zinc/19/95/40/616199540.db2.gz WWWWAKVXFUFFIV-YNEHKIRRSA-N 2 2 254.374 0.431 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@H]1CCc2ncnn21 ZINC000880142898 616200665 /nfs/dbraw/zinc/20/06/65/616200665.db2.gz VTZCBNCDLZCAIU-JHJVBQTASA-N 2 2 261.373 0.934 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@H]1CCc2ncnn21 ZINC000880142898 616200666 /nfs/dbraw/zinc/20/06/66/616200666.db2.gz VTZCBNCDLZCAIU-JHJVBQTASA-N 2 2 261.373 0.934 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@H]1CCc2ncnn21 ZINC000880142898 616200667 /nfs/dbraw/zinc/20/06/67/616200667.db2.gz VTZCBNCDLZCAIU-JHJVBQTASA-N 2 2 261.373 0.934 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@H]1CCc2ncnn21 ZINC000880142898 616200668 /nfs/dbraw/zinc/20/06/68/616200668.db2.gz VTZCBNCDLZCAIU-JHJVBQTASA-N 2 2 261.373 0.934 20 0 CCADLP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000872780566 616216288 /nfs/dbraw/zinc/21/62/88/616216288.db2.gz LZBKRLUBMWVQIO-RYUDHWBXSA-N 2 2 299.382 0.917 20 0 CCADLP C[N@H+]1CCC[C@H]2[C@@H]1CCN2c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000872780566 616216289 /nfs/dbraw/zinc/21/62/89/616216289.db2.gz LZBKRLUBMWVQIO-RYUDHWBXSA-N 2 2 299.382 0.917 20 0 CCADLP C[N@@H+]1CCC[C@H]2[C@H]1CCN2c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000872780562 616217183 /nfs/dbraw/zinc/21/71/83/616217183.db2.gz LZBKRLUBMWVQIO-NEPJUHHUSA-N 2 2 299.382 0.917 20 0 CCADLP C[N@H+]1CCC[C@H]2[C@H]1CCN2c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000872780562 616217184 /nfs/dbraw/zinc/21/71/84/616217184.db2.gz LZBKRLUBMWVQIO-NEPJUHHUSA-N 2 2 299.382 0.917 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)CC1CC(F)(F)C1 ZINC000879355880 616223016 /nfs/dbraw/zinc/22/30/16/616223016.db2.gz QSKDFWMAPHNHBN-UHFFFAOYSA-N 2 2 275.343 0.738 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)CC1CC(F)(F)C1 ZINC000879355880 616223017 /nfs/dbraw/zinc/22/30/17/616223017.db2.gz QSKDFWMAPHNHBN-UHFFFAOYSA-N 2 2 275.343 0.738 20 0 CCADLP C[N@@H+]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@H](CO)C1 ZINC000912738452 616230660 /nfs/dbraw/zinc/23/06/60/616230660.db2.gz FOMUKAWXSFELQV-ZDUSSCGKSA-N 2 2 274.324 0.083 20 0 CCADLP C[N@H+]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@H](CO)C1 ZINC000912738452 616230661 /nfs/dbraw/zinc/23/06/61/616230661.db2.gz FOMUKAWXSFELQV-ZDUSSCGKSA-N 2 2 274.324 0.083 20 0 CCADLP COC(=O)/C(C)=C/C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879592226 616282066 /nfs/dbraw/zinc/28/20/66/616282066.db2.gz FJELSASZEGBFEZ-LNKIKWGQSA-N 2 2 295.427 0.818 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC000812333833 616314618 /nfs/dbraw/zinc/31/46/18/616314618.db2.gz PKUBSQNYYRNLNR-OLZOCXBDSA-N 2 2 262.357 0.683 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC000812333833 616314624 /nfs/dbraw/zinc/31/46/24/616314624.db2.gz PKUBSQNYYRNLNR-OLZOCXBDSA-N 2 2 262.357 0.683 20 0 CCADLP COCC[NH+]1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000900683813 616359402 /nfs/dbraw/zinc/35/94/02/616359402.db2.gz DKHMXVRLZBQMLR-UHFFFAOYSA-N 2 2 269.389 0.261 20 0 CCADLP COCC[NH+]1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000900683813 616359409 /nfs/dbraw/zinc/35/94/09/616359409.db2.gz DKHMXVRLZBQMLR-UHFFFAOYSA-N 2 2 269.389 0.261 20 0 CCADLP COC/C(C)=C/C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000929845846 616373264 /nfs/dbraw/zinc/37/32/64/616373264.db2.gz MDMGYRGRVMJKQH-SXSSENBOSA-N 2 2 295.427 0.818 20 0 CCADLP COC/C(C)=C/C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000929845846 616373267 /nfs/dbraw/zinc/37/32/67/616373267.db2.gz MDMGYRGRVMJKQH-SXSSENBOSA-N 2 2 295.427 0.818 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000947755225 616415175 /nfs/dbraw/zinc/41/51/75/616415175.db2.gz YWGQMFDRFMPLNL-RYUDHWBXSA-N 2 2 280.372 0.568 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000947755225 616415177 /nfs/dbraw/zinc/41/51/77/616415177.db2.gz YWGQMFDRFMPLNL-RYUDHWBXSA-N 2 2 280.372 0.568 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000947863021 616416255 /nfs/dbraw/zinc/41/62/55/616416255.db2.gz VXDBUADQCQQNAS-RYUDHWBXSA-N 2 2 280.372 0.568 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000947863021 616416256 /nfs/dbraw/zinc/41/62/56/616416256.db2.gz VXDBUADQCQQNAS-RYUDHWBXSA-N 2 2 280.372 0.568 20 0 CCADLP C[N@@H+]1CC[C@H]2C[NH+](CCN3CCOC3=O)CC[C@@H]21 ZINC000879572512 616444691 /nfs/dbraw/zinc/44/46/91/616444691.db2.gz YKETXSMCOZBUMC-RYUDHWBXSA-N 2 2 253.346 0.465 20 0 CCADLP C[N@H+]1CC[C@H]2C[NH+](CCN3CCOC3=O)CC[C@@H]21 ZINC000879572512 616444696 /nfs/dbraw/zinc/44/46/96/616444696.db2.gz YKETXSMCOZBUMC-RYUDHWBXSA-N 2 2 253.346 0.465 20 0 CCADLP C[NH+]1CC[C@H]2C[N@H+](CCN3CCOC3=O)CC[C@@H]21 ZINC000879572512 616444700 /nfs/dbraw/zinc/44/47/00/616444700.db2.gz YKETXSMCOZBUMC-RYUDHWBXSA-N 2 2 253.346 0.465 20 0 CCADLP C[NH+]1CC[C@H]2C[N@@H+](CCN3CCOC3=O)CC[C@@H]21 ZINC000879572512 616444701 /nfs/dbraw/zinc/44/47/01/616444701.db2.gz YKETXSMCOZBUMC-RYUDHWBXSA-N 2 2 253.346 0.465 20 0 CCADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000900563043 616470601 /nfs/dbraw/zinc/47/06/01/616470601.db2.gz OJDPUOBJBWWPLF-NFAWXSAZSA-N 2 2 292.383 0.502 20 0 CCADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000900563043 616470605 /nfs/dbraw/zinc/47/06/05/616470605.db2.gz OJDPUOBJBWWPLF-NFAWXSAZSA-N 2 2 292.383 0.502 20 0 CCADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000900449520 616494988 /nfs/dbraw/zinc/49/49/88/616494988.db2.gz SWSAKXUIPCGYQB-UKRRQHHQSA-N 2 2 292.383 0.502 20 0 CCADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000900449520 616494989 /nfs/dbraw/zinc/49/49/89/616494989.db2.gz SWSAKXUIPCGYQB-UKRRQHHQSA-N 2 2 292.383 0.502 20 0 CCADLP C[N@H+]1C[C@H]2CN(C(=O)NCCCn3cc[nH+]c3)C[C@H]2C1 ZINC000891427822 616509924 /nfs/dbraw/zinc/50/99/24/616509924.db2.gz YYMRRYZEMYFVSS-BETUJISGSA-N 2 2 277.372 0.476 20 0 CCADLP C[N@@H+]1C[C@H]2CN(C(=O)NCCCn3cc[nH+]c3)C[C@H]2C1 ZINC000891427822 616509926 /nfs/dbraw/zinc/50/99/26/616509926.db2.gz YYMRRYZEMYFVSS-BETUJISGSA-N 2 2 277.372 0.476 20 0 CCADLP COCC[NH2+]Cc1nc(CC2CC[NH2+]CC2)no1 ZINC000905319247 616511617 /nfs/dbraw/zinc/51/16/17/616511617.db2.gz YDCUQENZIDYTOD-UHFFFAOYSA-N 2 2 254.334 0.348 20 0 CCADLP COC1CC([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)C1 ZINC000895686029 616516004 /nfs/dbraw/zinc/51/60/04/616516004.db2.gz QGENPVJGONUJSR-QQFBHYJXSA-N 2 2 297.443 0.550 20 0 CCADLP COCCOCCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931276098 616553549 /nfs/dbraw/zinc/55/35/49/616553549.db2.gz GWQQOXOLSWVXJR-WDNDVIMCSA-N 2 2 272.389 0.158 20 0 CCADLP COCCOCCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931276098 616553555 /nfs/dbraw/zinc/55/35/55/616553555.db2.gz GWQQOXOLSWVXJR-WDNDVIMCSA-N 2 2 272.389 0.158 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000821715362 616554369 /nfs/dbraw/zinc/55/43/69/616554369.db2.gz ABAMCUWWHYWKIM-ZDUSSCGKSA-N 2 2 297.399 0.178 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000821715362 616554373 /nfs/dbraw/zinc/55/43/73/616554373.db2.gz ABAMCUWWHYWKIM-ZDUSSCGKSA-N 2 2 297.399 0.178 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CC2CC2)[C@@H](C)C1 ZINC000884326971 616555513 /nfs/dbraw/zinc/55/55/13/616555513.db2.gz GAGCFEFSGCBDEB-AAEUAGOBSA-N 2 2 297.399 0.210 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]([NH3+])CC2CC2)[C@@H](C)C1 ZINC000884326971 616555514 /nfs/dbraw/zinc/55/55/14/616555514.db2.gz GAGCFEFSGCBDEB-AAEUAGOBSA-N 2 2 297.399 0.210 20 0 CCADLP COC(=O)CC[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000872154240 616578481 /nfs/dbraw/zinc/57/84/81/616578481.db2.gz OTYPXWNFJIOWMF-OLZOCXBDSA-N 2 2 270.373 0.640 20 0 CCADLP COC(=O)CC[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000872154240 616578482 /nfs/dbraw/zinc/57/84/82/616578482.db2.gz OTYPXWNFJIOWMF-OLZOCXBDSA-N 2 2 270.373 0.640 20 0 CCADLP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923534036 616583833 /nfs/dbraw/zinc/58/38/33/616583833.db2.gz QVUDXODVTIWAHW-OAHLLOKOSA-N 2 2 297.399 0.226 20 0 CCADLP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923534036 616583837 /nfs/dbraw/zinc/58/38/37/616583837.db2.gz QVUDXODVTIWAHW-OAHLLOKOSA-N 2 2 297.399 0.226 20 0 CCADLP COCC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000884199728 616675562 /nfs/dbraw/zinc/67/55/62/616675562.db2.gz ICWNFJHKKOMHIP-LBPRGKRZSA-N 2 2 297.424 0.586 20 0 CCADLP COCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000884199728 616675564 /nfs/dbraw/zinc/67/55/64/616675564.db2.gz ICWNFJHKKOMHIP-LBPRGKRZSA-N 2 2 297.424 0.586 20 0 CCADLP COC(=O)[C@H]1[C@@H](C[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1(F)F ZINC000897621857 616733305 /nfs/dbraw/zinc/73/33/05/616733305.db2.gz WXEQZCPYFBHHIH-SBFPOUOMSA-N 2 2 288.338 0.924 20 0 CCADLP COC(=O)[C@H]1[C@@H](C[N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1(F)F ZINC000897621857 616733309 /nfs/dbraw/zinc/73/33/09/616733309.db2.gz WXEQZCPYFBHHIH-SBFPOUOMSA-N 2 2 288.338 0.924 20 0 CCADLP COC(=O)[C@H]1[C@@H](C[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)C1(F)F ZINC000897621857 616733312 /nfs/dbraw/zinc/73/33/12/616733312.db2.gz WXEQZCPYFBHHIH-SBFPOUOMSA-N 2 2 288.338 0.924 20 0 CCADLP COC(=O)[C@H]1[C@@H](C[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)C1(F)F ZINC000897621857 616733316 /nfs/dbraw/zinc/73/33/16/616733316.db2.gz WXEQZCPYFBHHIH-SBFPOUOMSA-N 2 2 288.338 0.924 20 0 CCADLP COC(=O)[C@](C)(Cn1cccn1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000903864178 616750528 /nfs/dbraw/zinc/75/05/28/616750528.db2.gz STUWDYKZNXOEQM-ZFWWWQNUSA-N 2 2 294.399 0.794 20 0 CCADLP CO[C@@H]1COCC[C@@H]1[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000883461134 616800050 /nfs/dbraw/zinc/80/00/50/616800050.db2.gz OKXKHAQEPYGTKZ-VHSXEESVSA-N 2 2 284.360 0.499 20 0 CCADLP CO[C@@H]1COCC[C@@H]1[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000883461134 616800052 /nfs/dbraw/zinc/80/00/52/616800052.db2.gz OKXKHAQEPYGTKZ-VHSXEESVSA-N 2 2 284.360 0.499 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000900836537 616874648 /nfs/dbraw/zinc/87/46/48/616874648.db2.gz OZBDRIAAYADMGH-UHFFFAOYSA-N 2 2 254.334 0.037 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC000900836537 616874650 /nfs/dbraw/zinc/87/46/50/616874650.db2.gz OZBDRIAAYADMGH-UHFFFAOYSA-N 2 2 254.334 0.037 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C2CC([NH+](C)C)C2)n1C ZINC000873133712 616904243 /nfs/dbraw/zinc/90/42/43/616904243.db2.gz JMKHHHODSOEEGB-UHFFFAOYSA-N 2 2 265.357 0.994 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)CNc1cccc[nH+]1 ZINC000900192247 616952701 /nfs/dbraw/zinc/95/27/01/616952701.db2.gz MVBNAOVHYDQSEL-UHFFFAOYSA-N 2 2 280.372 0.578 20 0 CCADLP COCC[N@@H+](C)CCCNC(=O)CNc1cccc[nH+]1 ZINC000900192247 616952704 /nfs/dbraw/zinc/95/27/04/616952704.db2.gz MVBNAOVHYDQSEL-UHFFFAOYSA-N 2 2 280.372 0.578 20 0 CCADLP COC(=O)c1cnc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cn1 ZINC000923515994 616970156 /nfs/dbraw/zinc/97/01/56/616970156.db2.gz PXZJKHNPDDWXSW-WDEREUQCSA-N 2 2 276.340 0.305 20 0 CCADLP COC(=O)c1cnc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cn1 ZINC000923515994 616970159 /nfs/dbraw/zinc/97/01/59/616970159.db2.gz PXZJKHNPDDWXSW-WDEREUQCSA-N 2 2 276.340 0.305 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886873879 616987319 /nfs/dbraw/zinc/98/73/19/616987319.db2.gz AAQQKEAAEYHBPH-ZIAGYGMSSA-N 3 2 255.406 0.422 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886873879 616987324 /nfs/dbraw/zinc/98/73/24/616987324.db2.gz AAQQKEAAEYHBPH-ZIAGYGMSSA-N 3 2 255.406 0.422 20 0 CCADLP COCCN(CC1CC[NH+](C)CC1)C(=O)Cc1[nH]cc[nH+]1 ZINC000869763531 616989785 /nfs/dbraw/zinc/98/97/85/616989785.db2.gz WCHVOAILDXHBKZ-UHFFFAOYSA-N 2 2 294.399 0.769 20 0 CCADLP COC(=O)c1cncc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1 ZINC000886589611 616995943 /nfs/dbraw/zinc/99/59/43/616995943.db2.gz ADULOFXFNDFABL-XHDPSFHLSA-N 2 2 293.367 0.585 20 0 CCADLP COC(=O)c1cncc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000886589611 616995946 /nfs/dbraw/zinc/99/59/46/616995946.db2.gz ADULOFXFNDFABL-XHDPSFHLSA-N 2 2 293.367 0.585 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717322 616999491 /nfs/dbraw/zinc/99/94/91/616999491.db2.gz NFQKDLARXNYXKJ-KGLIPLIRSA-N 3 2 267.417 0.829 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717322 616999497 /nfs/dbraw/zinc/99/94/97/616999497.db2.gz NFQKDLARXNYXKJ-KGLIPLIRSA-N 3 2 267.417 0.829 20 0 CCADLP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000911737237 617046949 /nfs/dbraw/zinc/04/69/49/617046949.db2.gz SKZITXZRCQRJKE-VXGBXAGGSA-N 2 2 262.357 0.656 20 0 CCADLP C[NH2+][C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000911737316 617052471 /nfs/dbraw/zinc/05/24/71/617052471.db2.gz VACCBTKEYZGHIO-QWRGUYRKSA-N 2 2 250.346 0.799 20 0 CCADLP C[NH2+][C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000911737316 617052474 /nfs/dbraw/zinc/05/24/74/617052474.db2.gz VACCBTKEYZGHIO-QWRGUYRKSA-N 2 2 250.346 0.799 20 0 CCADLP CNc1cc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)nc[nH+]1 ZINC000897219413 617059880 /nfs/dbraw/zinc/05/98/80/617059880.db2.gz KPBDDJPSHKIKAV-VXGBXAGGSA-N 2 2 277.372 0.554 20 0 CCADLP CNc1cc(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)nc[nH+]1 ZINC000897219413 617059883 /nfs/dbraw/zinc/05/98/83/617059883.db2.gz KPBDDJPSHKIKAV-VXGBXAGGSA-N 2 2 277.372 0.554 20 0 CCADLP CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000977649692 617068545 /nfs/dbraw/zinc/06/85/45/617068545.db2.gz STPWEKZCMYDBRG-CHWSQXEVSA-N 2 2 294.399 0.745 20 0 CCADLP CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000977649692 617068546 /nfs/dbraw/zinc/06/85/46/617068546.db2.gz STPWEKZCMYDBRG-CHWSQXEVSA-N 2 2 294.399 0.745 20 0 CCADLP COC[C@H](C)[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000977641397 617070853 /nfs/dbraw/zinc/07/08/53/617070853.db2.gz DHJJBEJRWXGLIH-STQMWFEESA-N 2 2 294.399 0.745 20 0 CCADLP COC[C@H](C)[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000977641397 617070855 /nfs/dbraw/zinc/07/08/55/617070855.db2.gz DHJJBEJRWXGLIH-STQMWFEESA-N 2 2 294.399 0.745 20 0 CCADLP CON1CC[C@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)C1=O ZINC000905762184 617099787 /nfs/dbraw/zinc/09/97/87/617099787.db2.gz RMQMOQVZHHSKCW-AWEZNQCLSA-N 2 2 299.415 0.628 20 0 CCADLP COc1c(N)[nH+]cnc1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000134916477 617147996 /nfs/dbraw/zinc/14/79/96/617147996.db2.gz WBMNXOSGPWCDPB-ZJUUUORDSA-N 2 2 279.344 0.343 20 0 CCADLP COc1c(N)[nH+]cnc1NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000134916477 617147997 /nfs/dbraw/zinc/14/79/97/617147997.db2.gz WBMNXOSGPWCDPB-ZJUUUORDSA-N 2 2 279.344 0.343 20 0 CCADLP CO[C@@H](CC[NH2+][C@H]1C[NH2+]CCOC1)C(F)(F)F ZINC000925644156 617162862 /nfs/dbraw/zinc/16/28/62/617162862.db2.gz INKPYZXAJSHEHC-IUCAKERBSA-N 2 2 256.268 0.532 20 0 CCADLP OCC1(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)COC1 ZINC000925583942 625430409 /nfs/dbraw/zinc/43/04/09/625430409.db2.gz JGWDPVKMSOEKBN-CHWSQXEVSA-N 2 2 254.374 0.602 20 0 CCADLP OCC1(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)COC1 ZINC000925583942 625430410 /nfs/dbraw/zinc/43/04/10/625430410.db2.gz JGWDPVKMSOEKBN-CHWSQXEVSA-N 2 2 254.374 0.602 20 0 CCADLP CS(=O)(=O)N1CCC[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925602585 625439281 /nfs/dbraw/zinc/43/92/81/625439281.db2.gz WMQQVMWPXVVFHF-VXGBXAGGSA-N 2 2 287.429 0.285 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)COCC1CC1 ZINC000925619033 625454567 /nfs/dbraw/zinc/45/45/67/625454567.db2.gz ZTETWVJOKNTEFF-CHWSQXEVSA-N 2 2 254.374 0.648 20 0 CCADLP CC[NH2+]C1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001026568769 625474405 /nfs/dbraw/zinc/47/44/05/625474405.db2.gz XBXYQXOXEBLYDI-UHFFFAOYSA-N 2 2 250.346 0.989 20 0 CCADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000925689959 625575867 /nfs/dbraw/zinc/57/58/67/625575867.db2.gz IWGTWVSRCWHZOB-YIYPIFLZSA-N 2 2 253.390 0.580 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)NCc2c[nH+]cn2C)CC[NH2+]1 ZINC000892094624 622581986 /nfs/dbraw/zinc/58/19/86/622581986.db2.gz BGQXGMHDTVABTN-UWVGGRQHSA-N 2 2 251.334 0.360 20 0 CCADLP C[C@H]1COC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000926411732 622740688 /nfs/dbraw/zinc/74/06/88/622740688.db2.gz SVFLSLIDOGWKJI-MNFFZHCASA-N 2 2 295.427 0.695 20 0 CCADLP C[C@H]1COC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000926411732 622740694 /nfs/dbraw/zinc/74/06/94/622740694.db2.gz SVFLSLIDOGWKJI-MNFFZHCASA-N 2 2 295.427 0.695 20 0 CCADLP CC(C)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001022775189 622743845 /nfs/dbraw/zinc/74/38/45/622743845.db2.gz LEYSLHSOKPVPJD-PHIMTYICSA-N 2 2 250.346 0.845 20 0 CCADLP O[C@@H]1CC[N@H+](CCCC[NH+]2CC[C@H](O)[C@H](F)C2)C[C@@H]1F ZINC000934570498 622759910 /nfs/dbraw/zinc/75/99/10/622759910.db2.gz LDJSMYIQEDRKRA-LVEBTZEWSA-N 2 2 292.370 0.576 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccon2)C1 ZINC001022976829 622876178 /nfs/dbraw/zinc/87/61/78/622876178.db2.gz KCUUYWLCQQVGQP-TXEJJXNPSA-N 2 2 289.339 0.388 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001023024966 622886892 /nfs/dbraw/zinc/88/68/92/622886892.db2.gz OFXMLFLNVGEWMA-UPJWGTAASA-N 2 2 292.383 0.534 20 0 CCADLP Cc1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3)C2)o1 ZINC001023160820 622935488 /nfs/dbraw/zinc/93/54/88/622935488.db2.gz CYYXYQZMUWYQQL-TXEJJXNPSA-N 2 2 289.339 0.617 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]Cc2ccns2)C1 ZINC001023160847 622935874 /nfs/dbraw/zinc/93/58/74/622935874.db2.gz FQYJAAUNBZAUBR-PHIMTYICSA-N 2 2 291.380 0.777 20 0 CCADLP O=C(NC[C@@H]1CCC[N@@H+](CCO)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001023431104 623028468 /nfs/dbraw/zinc/02/84/68/623028468.db2.gz YSKZVDCZPDJYMZ-YNEHKIRRSA-N 2 2 292.383 0.334 20 0 CCADLP O=C(NC[C@@H]1CCC[N@H+](CCO)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001023431104 623028472 /nfs/dbraw/zinc/02/84/72/623028472.db2.gz YSKZVDCZPDJYMZ-YNEHKIRRSA-N 2 2 292.383 0.334 20 0 CCADLP O=C(NC[C@@H]1CCC[N@@H+](CCO)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001023431104 623028478 /nfs/dbraw/zinc/02/84/78/623028478.db2.gz YSKZVDCZPDJYMZ-YNEHKIRRSA-N 2 2 292.383 0.334 20 0 CCADLP O=C(NC[C@@H]1CCC[N@H+](CCO)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001023431104 623028484 /nfs/dbraw/zinc/02/84/84/623028484.db2.gz YSKZVDCZPDJYMZ-YNEHKIRRSA-N 2 2 292.383 0.334 20 0 CCADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000310958269 623605189 /nfs/dbraw/zinc/60/51/89/623605189.db2.gz AILKKKMSDWEQNA-UONOGXRCSA-N 3 2 255.406 0.646 20 0 CCADLP [NH3+]CC[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000310958269 623605199 /nfs/dbraw/zinc/60/51/99/623605199.db2.gz AILKKKMSDWEQNA-UONOGXRCSA-N 3 2 255.406 0.646 20 0 CCADLP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925706739 625662770 /nfs/dbraw/zinc/66/27/70/625662770.db2.gz KIEQOQSNDYIGCU-NURVWSNCSA-N 3 2 271.355 0.817 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+](C)CCCn2cc[nH+]c2)CCO1 ZINC000181104213 623643875 /nfs/dbraw/zinc/64/38/75/623643875.db2.gz BVBJCKGOIWRYHG-CYBMUJFWSA-N 2 2 280.372 0.452 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)CCCn2cc[nH+]c2)CCO1 ZINC000181104213 623643880 /nfs/dbraw/zinc/64/38/80/623643880.db2.gz BVBJCKGOIWRYHG-CYBMUJFWSA-N 2 2 280.372 0.452 20 0 CCADLP CCONC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000166442467 623709790 /nfs/dbraw/zinc/70/97/90/623709790.db2.gz WURXCGHUWKRRKR-UHFFFAOYSA-N 2 2 272.393 0.605 20 0 CCADLP CCONC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000166442467 623709800 /nfs/dbraw/zinc/70/98/00/623709800.db2.gz WURXCGHUWKRRKR-UHFFFAOYSA-N 2 2 272.393 0.605 20 0 CCADLP CC[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001026981700 625680247 /nfs/dbraw/zinc/68/02/47/625680247.db2.gz WOEKTJHGHXFDGA-LBPRGKRZSA-N 2 2 250.346 0.731 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+]CCC2CC2)C1 ZINC001020633703 624554958 /nfs/dbraw/zinc/55/49/58/624554958.db2.gz XGMCGBQZKCIRGQ-HAQNSBGRSA-N 2 2 262.357 0.989 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC001020635093 624555575 /nfs/dbraw/zinc/55/55/75/624555575.db2.gz FCLXTIYGCAKAGO-AVGNSLFASA-N 2 2 292.383 0.616 20 0 CCADLP O[C@H](CC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)C1CC1 ZINC000902504657 634394398 /nfs/dbraw/zinc/39/43/98/634394398.db2.gz PPJIQECDDRDRKY-MGPQQGTHSA-N 2 2 254.374 0.504 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]([NH2+]Cc2ccns2)C1 ZINC001020819143 624606516 /nfs/dbraw/zinc/60/65/16/624606516.db2.gz PQGIGHHSEWIGST-MGCOHNPYSA-N 2 2 291.380 0.846 20 0 CCADLP O=c1cc(N2CC[C@H]([NH2+][C@@H]3CC[NH2+]C34CCC4)C2)nc[nH]1 ZINC000902503493 634395117 /nfs/dbraw/zinc/39/51/17/634395117.db2.gz YCBNJMZIEQEZJL-NWDGAFQWSA-N 2 2 289.383 0.635 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]([NH2+]CCF)C1 ZINC001020930590 624626316 /nfs/dbraw/zinc/62/63/16/624626316.db2.gz YNVXFZWUIGFQOK-MGCOHNPYSA-N 2 2 254.309 0.169 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]Cc2cscn2)C1 ZINC001021128747 624664436 /nfs/dbraw/zinc/66/44/36/624664436.db2.gz UFTBBHGKIUEKDA-XYPYZODXSA-N 2 2 291.380 0.777 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC000970343052 624677037 /nfs/dbraw/zinc/67/70/37/624677037.db2.gz FYFQCKNEXKNIOD-CHWSQXEVSA-N 2 2 292.383 0.569 20 0 CCADLP CN(Cc1cccs1)C(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000050248132 624804085 /nfs/dbraw/zinc/80/40/85/624804085.db2.gz NBORVUDVXVQSBY-NSHDSACASA-N 2 2 267.398 0.987 20 0 CCADLP CN(Cc1cccs1)C(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000050248132 624804086 /nfs/dbraw/zinc/80/40/86/624804086.db2.gz NBORVUDVXVQSBY-NSHDSACASA-N 2 2 267.398 0.987 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC1(C[NH3+])CCCCC1 ZINC000891350426 624822217 /nfs/dbraw/zinc/82/22/17/624822217.db2.gz RIPMOJLKGNVUHY-CYBMUJFWSA-N 2 2 298.431 0.668 20 0 CCADLP C[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000971434548 624853967 /nfs/dbraw/zinc/85/39/67/624853967.db2.gz YTPOURDLEWSWFH-NWDGAFQWSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000971434548 624853969 /nfs/dbraw/zinc/85/39/69/624853969.db2.gz YTPOURDLEWSWFH-NWDGAFQWSA-N 2 2 280.372 0.256 20 0 CCADLP COCC(C)(C)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000261941839 624872277 /nfs/dbraw/zinc/87/22/77/624872277.db2.gz MVOGSWHOSFXYEZ-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP COCC(C)(C)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000261941839 624872278 /nfs/dbraw/zinc/87/22/78/624872278.db2.gz MVOGSWHOSFXYEZ-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP Cc1cc(N)nc(NCCN2CC[NH+](C)CC2)[nH+]1 ZINC000891620339 624892689 /nfs/dbraw/zinc/89/26/89/624892689.db2.gz WHXPOXXXCXNWJB-UHFFFAOYSA-N 2 2 250.350 0.027 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001022311753 624921375 /nfs/dbraw/zinc/92/13/75/624921375.db2.gz XDJNDHQTSFQSBE-ZDEQEGDKSA-N 2 2 292.383 0.063 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001022311750 624921438 /nfs/dbraw/zinc/92/14/38/624921438.db2.gz XDJNDHQTSFQSBE-QNWHQSFQSA-N 2 2 292.383 0.063 20 0 CCADLP OC[C@H]1CC[N@@H+]1C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000934011039 625002090 /nfs/dbraw/zinc/00/20/90/625002090.db2.gz IOTURQUNMYPNNZ-CVEARBPZSA-N 2 2 276.380 0.690 20 0 CCADLP OC[C@H]1CC[N@H+]1C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000934011039 625002092 /nfs/dbraw/zinc/00/20/92/625002092.db2.gz IOTURQUNMYPNNZ-CVEARBPZSA-N 2 2 276.380 0.690 20 0 CCADLP OC[C@H]1CC[NH+]1C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000934011039 625002094 /nfs/dbraw/zinc/00/20/94/625002094.db2.gz IOTURQUNMYPNNZ-CVEARBPZSA-N 2 2 276.380 0.690 20 0 CCADLP OC[C@H]1CC[NH+]1C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000934011039 625002096 /nfs/dbraw/zinc/00/20/96/625002096.db2.gz IOTURQUNMYPNNZ-CVEARBPZSA-N 2 2 276.380 0.690 20 0 CCADLP OC[C@H]1CC[N@@H+]1C[C@H](C[NH+]1CC[C@H]1CO)c1ccccc1 ZINC000934017080 625004331 /nfs/dbraw/zinc/00/43/31/625004331.db2.gz YEWANGWINUNTSX-OSYLJGHBSA-N 2 2 290.407 0.903 20 0 CCADLP OC[C@H]1CC[N@H+]1C[C@H](C[NH+]1CC[C@H]1CO)c1ccccc1 ZINC000934017080 625004335 /nfs/dbraw/zinc/00/43/35/625004335.db2.gz YEWANGWINUNTSX-OSYLJGHBSA-N 2 2 290.407 0.903 20 0 CCADLP OC[C@H]1CC[NH+]1C[C@H](C[N@@H+]1CC[C@H]1CO)c1ccccc1 ZINC000934017080 625004338 /nfs/dbraw/zinc/00/43/38/625004338.db2.gz YEWANGWINUNTSX-OSYLJGHBSA-N 2 2 290.407 0.903 20 0 CCADLP OC[C@H]1CC[NH+]1C[C@H](C[N@H+]1CC[C@H]1CO)c1ccccc1 ZINC000934017080 625004342 /nfs/dbraw/zinc/00/43/42/625004342.db2.gz YEWANGWINUNTSX-OSYLJGHBSA-N 2 2 290.407 0.903 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]1C[NH3+] ZINC000253200621 625922211 /nfs/dbraw/zinc/92/22/11/625922211.db2.gz XHBSOVNKGKNJMJ-WDEREUQCSA-N 2 2 284.404 0.527 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]1C[NH3+] ZINC000253200621 625922219 /nfs/dbraw/zinc/92/22/19/625922219.db2.gz XHBSOVNKGKNJMJ-WDEREUQCSA-N 2 2 284.404 0.527 20 0 CCADLP C[C@H](CC(N)=O)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903385035 634556521 /nfs/dbraw/zinc/55/65/21/634556521.db2.gz VEXRAKZYSMCZIZ-DGCLKSJQSA-N 2 2 264.373 0.928 20 0 CCADLP NC(=O)COc1cccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000903471928 634574210 /nfs/dbraw/zinc/57/42/10/634574210.db2.gz WMZKVXDJFGLKIE-AWEZNQCLSA-N 2 2 289.379 0.925 20 0 CCADLP C[C@]1([C@H]2CCC[N@H+](C[C@H]3C[NH2+]CCO3)C2)COC(=O)N1 ZINC000903561620 634607270 /nfs/dbraw/zinc/60/72/70/634607270.db2.gz LSJKWVYGPAVXNV-OUCADQQQSA-N 2 2 283.372 0.185 20 0 CCADLP C[C@]1([C@H]2CCC[N@@H+](C[C@H]3C[NH2+]CCO3)C2)COC(=O)N1 ZINC000903561620 634607271 /nfs/dbraw/zinc/60/72/71/634607271.db2.gz LSJKWVYGPAVXNV-OUCADQQQSA-N 2 2 283.372 0.185 20 0 CCADLP C[C@]1([C@@H]2CCC[N@H+](C[C@H]3C[NH2+]CCO3)C2)COC(=O)N1 ZINC000903561622 634607322 /nfs/dbraw/zinc/60/73/22/634607322.db2.gz LSJKWVYGPAVXNV-YRGRVCCFSA-N 2 2 283.372 0.185 20 0 CCADLP C[C@]1([C@@H]2CCC[N@@H+](C[C@H]3C[NH2+]CCO3)C2)COC(=O)N1 ZINC000903561622 634607327 /nfs/dbraw/zinc/60/73/27/634607327.db2.gz LSJKWVYGPAVXNV-YRGRVCCFSA-N 2 2 283.372 0.185 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903713131 634632831 /nfs/dbraw/zinc/63/28/31/634632831.db2.gz GDTWXWJHVWDXRK-AJNGGQMLSA-N 3 2 267.417 0.957 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903713131 634632833 /nfs/dbraw/zinc/63/28/33/634632833.db2.gz GDTWXWJHVWDXRK-AJNGGQMLSA-N 3 2 267.417 0.957 20 0 CCADLP [NH3+]C[C@@H]1CCCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903713400 634633704 /nfs/dbraw/zinc/63/37/04/634633704.db2.gz PNGQIYZDTANBIO-UONOGXRCSA-N 3 2 267.417 0.958 20 0 CCADLP [NH3+]C[C@@H]1CCCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903713400 634633705 /nfs/dbraw/zinc/63/37/05/634633705.db2.gz PNGQIYZDTANBIO-UONOGXRCSA-N 3 2 267.417 0.958 20 0 CCADLP [NH3+]CC12CC(C1)C[N@@H+]2C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903766110 634643714 /nfs/dbraw/zinc/64/37/14/634643714.db2.gz OUDBILMPEMEIOX-OWYJLGKBSA-N 3 2 265.401 0.568 20 0 CCADLP [NH3+]CC12CC(C1)C[N@H+]2C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903766110 634643716 /nfs/dbraw/zinc/64/37/16/634643716.db2.gz OUDBILMPEMEIOX-OWYJLGKBSA-N 3 2 265.401 0.568 20 0 CCADLP Cn1cnnc1N1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903769026 634644862 /nfs/dbraw/zinc/64/48/62/634644862.db2.gz XWVGKAXZJQQTNP-ZDUSSCGKSA-N 2 2 278.404 0.327 20 0 CCADLP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@@H+]1CCCOCC1 ZINC000903903980 634681497 /nfs/dbraw/zinc/68/14/97/634681497.db2.gz NOVJRYNSHZHTRH-GFCCVEGCSA-N 2 2 265.361 0.425 20 0 CCADLP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@H+]1CCCOCC1 ZINC000903903980 634681500 /nfs/dbraw/zinc/68/15/00/634681500.db2.gz NOVJRYNSHZHTRH-GFCCVEGCSA-N 2 2 265.361 0.425 20 0 CCADLP c1cc(C[NH2+]C[C@@H]2C[NH2+]CCO2)c2c(c1)C[NH2+]CC2 ZINC000903929100 634689230 /nfs/dbraw/zinc/68/92/30/634689230.db2.gz AIMJJBVOSMBACD-AWEZNQCLSA-N 3 2 261.369 0.410 20 0 CCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903930347 634690839 /nfs/dbraw/zinc/69/08/39/634690839.db2.gz XUDJMTWJMJTFQS-IACUBPJLSA-N 3 2 278.404 0.562 20 0 CCADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000903933337 634692558 /nfs/dbraw/zinc/69/25/58/634692558.db2.gz PARJAQDBUQIDDV-IVZWLZJFSA-N 2 2 261.316 0.569 20 0 CCADLP [NH3+][C@H](CC(F)F)C[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000903933337 634692564 /nfs/dbraw/zinc/69/25/64/634692564.db2.gz PARJAQDBUQIDDV-IVZWLZJFSA-N 2 2 261.316 0.569 20 0 CCADLP [NH3+]C1(C[NH2+]Cc2ccc(N3CC[NH2+]CC3)o2)CCC1 ZINC000904356014 634734768 /nfs/dbraw/zinc/73/47/68/634734768.db2.gz RYCJMLGDNYKCHU-UHFFFAOYSA-N 3 2 264.373 0.660 20 0 CCADLP [NH3+]CCN1CCC([NH2+]CCCn2cc[nH+]c2)CC1 ZINC000904367798 634735917 /nfs/dbraw/zinc/73/59/17/634735917.db2.gz JQNNHBXGCPHQBR-UHFFFAOYSA-N 3 2 251.378 0.286 20 0 CCADLP Cn1nc(Br)cc1C[NH2+]CC1([NH3+])CC1 ZINC000904443534 634750072 /nfs/dbraw/zinc/75/00/72/634750072.db2.gz LGJCGESKWQJUDN-UHFFFAOYSA-N 2 2 259.151 0.764 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000905004421 634776096 /nfs/dbraw/zinc/77/60/96/634776096.db2.gz KBKSBGUPDQYQBU-FRRDWIJNSA-N 2 2 279.388 0.898 20 0 CCADLP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)C1(O)CCCC1 ZINC000905048405 634785064 /nfs/dbraw/zinc/78/50/64/634785064.db2.gz XJPGSDSJPRZXTH-MELADBBJSA-N 2 2 268.401 0.869 20 0 CCADLP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)C1(O)CCCC1 ZINC000905048405 634785069 /nfs/dbraw/zinc/78/50/69/634785069.db2.gz XJPGSDSJPRZXTH-MELADBBJSA-N 2 2 268.401 0.869 20 0 CCADLP C[C@](O)(C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(F)F ZINC000905074996 634797456 /nfs/dbraw/zinc/79/74/56/634797456.db2.gz HUXCHWZYSFAUJN-UMNHJUIQSA-N 2 2 264.316 0.455 20 0 CCADLP C[C@](O)(C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(F)F ZINC000905074996 634797459 /nfs/dbraw/zinc/79/74/59/634797459.db2.gz HUXCHWZYSFAUJN-UMNHJUIQSA-N 2 2 264.316 0.455 20 0 CCADLP O[C@@H](C[NH2+][C@H]1CCn2cc[nH+]c2C1)C1(O)CCCC1 ZINC000905219894 634824917 /nfs/dbraw/zinc/82/49/17/634824917.db2.gz TZQGCOWTIWQBQC-RYUDHWBXSA-N 2 2 265.357 0.454 20 0 CCADLP C[C@@H](CC(=O)N1CCC[C@@H]([N@H+](C)CCO)C1)n1cc[nH+]c1 ZINC001027597484 630795358 /nfs/dbraw/zinc/79/53/58/630795358.db2.gz HKNMMOJETLVYOW-UONOGXRCSA-N 2 2 294.399 0.749 20 0 CCADLP C[C@@H](CC(=O)N1CCC[C@@H]([N@@H+](C)CCO)C1)n1cc[nH+]c1 ZINC001027597484 630795362 /nfs/dbraw/zinc/79/53/62/630795362.db2.gz HKNMMOJETLVYOW-UONOGXRCSA-N 2 2 294.399 0.749 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]([N@H+](C)CCF)C1 ZINC001027650341 630833991 /nfs/dbraw/zinc/83/39/91/630833991.db2.gz FEGIBEOGCWYZSN-GFCCVEGCSA-N 2 2 282.363 0.855 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]([N@@H+](C)CCF)C1 ZINC001027650341 630833997 /nfs/dbraw/zinc/83/39/97/630833997.db2.gz FEGIBEOGCWYZSN-GFCCVEGCSA-N 2 2 282.363 0.855 20 0 CCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000096628598 630952664 /nfs/dbraw/zinc/95/26/64/630952664.db2.gz RCDNTBOPTUZLPO-CQSZACIVSA-N 2 2 283.416 0.245 20 0 CCADLP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000096628598 630952679 /nfs/dbraw/zinc/95/26/79/630952679.db2.gz RCDNTBOPTUZLPO-CQSZACIVSA-N 2 2 283.416 0.245 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCC[C@H]([NH2+]CCF)C1 ZINC000981353855 631271661 /nfs/dbraw/zinc/27/16/61/631271661.db2.gz LZOYLGULTICNRN-QWRGUYRKSA-N 2 2 268.336 0.939 20 0 CCADLP Cc1nonc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000967926576 650005409 /nfs/dbraw/zinc/00/54/09/650005409.db2.gz YHVRNYWQWJLCDO-DGCLKSJQSA-N 2 2 293.371 0.163 20 0 CCADLP Cc1nonc1C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000967926576 650005408 /nfs/dbraw/zinc/00/54/08/650005408.db2.gz YHVRNYWQWJLCDO-DGCLKSJQSA-N 2 2 293.371 0.163 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@@H]([NH2+]CCO)C3)ccn12 ZINC000968671108 650025591 /nfs/dbraw/zinc/02/55/91/650025591.db2.gz XRGATOXVLBCSMN-CYBMUJFWSA-N 2 2 288.351 0.439 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@@H+]1C ZINC000928440713 631846525 /nfs/dbraw/zinc/84/65/25/631846525.db2.gz CFMJTYMIQXEQQD-NEPJUHHUSA-N 2 2 250.346 0.872 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@H+]1C ZINC000928440713 631846529 /nfs/dbraw/zinc/84/65/29/631846529.db2.gz CFMJTYMIQXEQQD-NEPJUHHUSA-N 2 2 250.346 0.872 20 0 CCADLP COCC[NH2+]CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000237204136 631932175 /nfs/dbraw/zinc/93/21/75/631932175.db2.gz WRNKAHATGWHZNE-UHFFFAOYSA-N 2 2 288.351 0.725 20 0 CCADLP C[C@@H]1CC[N@H+](CCNC(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000895292423 632047457 /nfs/dbraw/zinc/04/74/57/632047457.db2.gz UWYKTXXRDPYCCQ-GFCCVEGCSA-N 2 2 279.388 0.604 20 0 CCADLP C[C@@H]1CC[N@@H+](CCNC(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000895292423 632047460 /nfs/dbraw/zinc/04/74/60/632047460.db2.gz UWYKTXXRDPYCCQ-GFCCVEGCSA-N 2 2 279.388 0.604 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895466814 632086401 /nfs/dbraw/zinc/08/64/01/632086401.db2.gz XEFJWJQYTIFIGX-CYBMUJFWSA-N 2 2 278.356 0.110 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N1CC[C@@H]([NH2+]CCO)[C@@H]1C ZINC000986429323 632755164 /nfs/dbraw/zinc/75/51/64/632755164.db2.gz XXIIQXMEPZRUKZ-WCQYABFASA-N 2 2 293.367 0.204 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H]1C ZINC000986627368 632783686 /nfs/dbraw/zinc/78/36/86/632783686.db2.gz GNKGXBBRIOXHAT-NWDGAFQWSA-N 2 2 250.346 0.872 20 0 CCADLP C[C@@H]1[C@H]([NH2+]CCF)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000987264984 632850073 /nfs/dbraw/zinc/85/00/73/632850073.db2.gz GSWYBALUABLHRG-NXEZZACHSA-N 2 2 254.309 0.501 20 0 CCADLP CC(C)[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000987349672 632859838 /nfs/dbraw/zinc/85/98/38/632859838.db2.gz WQQQYDOXWYKOGG-YPMHNXCESA-N 2 2 264.373 0.950 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000897791003 633241947 /nfs/dbraw/zinc/24/19/47/633241947.db2.gz AVLITSHEPZBUJX-NSHDSACASA-N 2 2 250.346 0.909 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000897791003 633241952 /nfs/dbraw/zinc/24/19/52/633241952.db2.gz AVLITSHEPZBUJX-NSHDSACASA-N 2 2 250.346 0.909 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCn1ccc(=O)[nH]c1=O ZINC000898334025 633306319 /nfs/dbraw/zinc/30/63/19/633306319.db2.gz ZPXFVYWGVARNDO-AAEUAGOBSA-N 2 2 292.383 0.411 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCn1ccc(=O)[nH]c1=O ZINC000898334025 633306324 /nfs/dbraw/zinc/30/63/24/633306324.db2.gz ZPXFVYWGVARNDO-AAEUAGOBSA-N 2 2 292.383 0.411 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CC2CC2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000989492246 633319088 /nfs/dbraw/zinc/31/90/88/633319088.db2.gz LUZBKEASRPQJDX-ZWNOBZJWSA-N 2 2 262.357 0.941 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCF)CN1C(=O)Cc1c[nH+]cn1C ZINC000989679483 633344246 /nfs/dbraw/zinc/34/42/46/633344246.db2.gz KYJAYOCCGXXJCB-MNOVXSKESA-N 2 2 268.336 0.511 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000899248063 633772439 /nfs/dbraw/zinc/77/24/39/633772439.db2.gz LTQMIJPGVILQCG-JSGCOSHPSA-N 2 2 277.372 0.809 20 0 CCADLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccnnc1 ZINC000924754723 633806280 /nfs/dbraw/zinc/80/62/80/633806280.db2.gz GVKAPEISCTTXGV-YPMHNXCESA-N 2 2 250.346 0.584 20 0 CCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900283891 633983342 /nfs/dbraw/zinc/98/33/42/633983342.db2.gz MAEUEWNHKOZUTB-ZLDLUXBVSA-N 2 2 294.399 0.399 20 0 CCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000900283891 633983348 /nfs/dbraw/zinc/98/33/48/633983348.db2.gz MAEUEWNHKOZUTB-ZLDLUXBVSA-N 2 2 294.399 0.399 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000901079060 634177914 /nfs/dbraw/zinc/17/79/14/634177914.db2.gz UPGLNHYUXCGSTE-CQSZACIVSA-N 2 2 292.383 0.666 20 0 CCADLP C[C@@H](CNC(=O)CNc1cccc[nH+]1)C[NH+](C)C ZINC000908349191 635358193 /nfs/dbraw/zinc/35/81/93/635358193.db2.gz XTSHZEOMBGXDDS-NSHDSACASA-N 2 2 250.346 0.807 20 0 CCADLP [NH3+]CCc1ccc(CNC(=O)C[C@@H]([NH3+])C(F)F)cc1 ZINC000911734826 636358708 /nfs/dbraw/zinc/35/87/08/636358708.db2.gz PIRHXZGROUASBA-LLVKDONJSA-N 2 2 271.311 0.787 20 0 CCADLP [NH3+]C[C@H](NC(=O)C[C@@H]([NH3+])C(F)F)C1CCCCC1 ZINC000911821554 636408557 /nfs/dbraw/zinc/40/85/57/636408557.db2.gz USCIBZOZOFIMQU-ZJUUUORDSA-N 2 2 263.332 0.993 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000911849925 636422096 /nfs/dbraw/zinc/42/20/96/636422096.db2.gz WLCWHZTVWLGSQF-GFCCVEGCSA-N 2 2 252.362 0.963 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000912614723 636623837 /nfs/dbraw/zinc/62/38/37/636623837.db2.gz SIMGSIFTVMWREV-UHFFFAOYSA-N 2 2 261.329 0.940 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000225353989 636942735 /nfs/dbraw/zinc/94/27/35/636942735.db2.gz JJPCYNJSFGXHAM-KBPBESRZSA-N 2 2 276.384 0.048 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000225353989 636942755 /nfs/dbraw/zinc/94/27/55/636942755.db2.gz JJPCYNJSFGXHAM-KBPBESRZSA-N 2 2 276.384 0.048 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@H+](CCCO)[C@@H]1C ZINC000994297627 637916724 /nfs/dbraw/zinc/91/67/24/637916724.db2.gz ICSTZDHNQYJLCT-CHWSQXEVSA-N 2 2 294.399 0.612 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@@H+](CCCO)[C@@H]1C ZINC000994297627 637916726 /nfs/dbraw/zinc/91/67/26/637916726.db2.gz ICSTZDHNQYJLCT-CHWSQXEVSA-N 2 2 294.399 0.612 20 0 CCADLP Cn1nc2c(c1C[NH2+]CCCn1cc[nH+]c1)COCC2 ZINC000921472358 638187966 /nfs/dbraw/zinc/18/79/66/638187966.db2.gz DEFBTMLXCFKJTJ-UHFFFAOYSA-N 2 2 275.356 0.869 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1cccnc1 ZINC000939212620 638329826 /nfs/dbraw/zinc/32/98/26/638329826.db2.gz ZMCFFWYIHIWHOU-IUODEOHRSA-N 2 2 299.378 0.984 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC000941061399 638512213 /nfs/dbraw/zinc/51/22/13/638512213.db2.gz MMKPXNIDFQQWHH-WCQYABFASA-N 2 2 294.399 0.550 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC000941061399 638512216 /nfs/dbraw/zinc/51/22/16/638512216.db2.gz MMKPXNIDFQQWHH-WCQYABFASA-N 2 2 294.399 0.550 20 0 CCADLP CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000995151378 638534805 /nfs/dbraw/zinc/53/48/05/638534805.db2.gz HRIXLNYABRLCLC-QWRGUYRKSA-N 2 2 250.346 0.847 20 0 CCADLP C[C@H]1C[N@H+](CCCO)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944154136 638763615 /nfs/dbraw/zinc/76/36/15/638763615.db2.gz KHYLEEPUKFUSEY-JSGCOSHPSA-N 2 2 294.399 0.172 20 0 CCADLP C[C@H]1C[N@@H+](CCCO)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944154136 638763616 /nfs/dbraw/zinc/76/36/16/638763616.db2.gz KHYLEEPUKFUSEY-JSGCOSHPSA-N 2 2 294.399 0.172 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]([NH2+]CCO)C(C)(C)C1 ZINC000996400831 638817602 /nfs/dbraw/zinc/81/76/02/638817602.db2.gz XEOKYVZADSTECB-WCQYABFASA-N 2 2 294.399 0.407 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]([NH2+]CCO)C(C)(C)C1 ZINC000996400831 638817603 /nfs/dbraw/zinc/81/76/03/638817603.db2.gz XEOKYVZADSTECB-WCQYABFASA-N 2 2 294.399 0.407 20 0 CCADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CC([NH2+]Cc2ccon2)C1 ZINC000999467582 638982576 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[NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000870896823 646040958 /nfs/dbraw/zinc/04/09/58/646040958.db2.gz PXCXYUCIHLYYMF-DSJMHWKBSA-N 2 2 293.411 0.437 20 0 CCADLP COCCN(C)C(=[NH2+])NCCCCn1cc[nH+]c1 ZINC000871603673 646157248 /nfs/dbraw/zinc/15/72/48/646157248.db2.gz COOUUVMYRDSQJM-UHFFFAOYSA-N 2 2 253.350 0.766 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872152539 646215108 /nfs/dbraw/zinc/21/51/08/646215108.db2.gz SWWGPRPUYMLISH-UTUOFQBUSA-N 2 2 295.349 0.776 20 0 CCADLP C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873206793 646356846 /nfs/dbraw/zinc/35/68/46/646356846.db2.gz LELIVHRFCAUYLB-CMPLNLGQSA-N 2 2 282.409 0.975 20 0 CCADLP C[C@H]1CO[C@@H](CO)C[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873206793 646356848 /nfs/dbraw/zinc/35/68/48/646356848.db2.gz LELIVHRFCAUYLB-CMPLNLGQSA-N 2 2 282.409 0.975 20 0 CCADLP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1nnnn1C1CC1 ZINC000873220198 646360989 /nfs/dbraw/zinc/36/09/89/646360989.db2.gz QRVMPNURZNCCBD-GUBZILKMSA-N 2 2 250.350 0.929 20 0 CCADLP C[C@@H]([NH2+]Cc1ccnc(-n2cncn2)c1)[C@@H]1CCC[NH2+]1 ZINC000873236858 646365020 /nfs/dbraw/zinc/36/50/20/646365020.db2.gz GUKMOUPPZFMMEP-YPMHNXCESA-N 2 2 272.356 0.892 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292867 646371937 /nfs/dbraw/zinc/37/19/37/646371937.db2.gz GEMOGHZGUCWAMX-RDBSUJKOSA-N 3 2 267.417 0.733 20 0 CCADLP Cc1nocc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000888720720 646599347 /nfs/dbraw/zinc/59/93/47/646599347.db2.gz OMDIJFGLHDINBG-UHFFFAOYSA-N 2 2 283.376 0.988 20 0 CCADLP Cc1nocc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000888720720 646599352 /nfs/dbraw/zinc/59/93/52/646599352.db2.gz OMDIJFGLHDINBG-UHFFFAOYSA-N 2 2 283.376 0.988 20 0 CCADLP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876535613 646622591 /nfs/dbraw/zinc/62/25/91/646622591.db2.gz OURQOHXHYFCCTN-VTUYONSCSA-N 2 2 281.400 0.509 20 0 CCADLP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H](N)C[NH+](C)C)cn1 ZINC000876721669 646649279 /nfs/dbraw/zinc/64/92/79/646649279.db2.gz WQTKDEDQWIPXBH-LBPRGKRZSA-N 2 2 288.355 0.403 20 0 CCADLP [NH3+]C[C@@H]1[C@H](C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1(F)F ZINC000876747038 646655628 /nfs/dbraw/zinc/65/56/28/646655628.db2.gz SWBWLQSFWABWOW-NXEZZACHSA-N 2 2 284.310 0.956 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000876793532 646665795 /nfs/dbraw/zinc/66/57/95/646665795.db2.gz PTDGIKCRRZPYJS-UHFFFAOYSA-N 2 2 262.357 0.863 20 0 CCADLP C[C@H]([NH3+])CN(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000877105243 646731714 /nfs/dbraw/zinc/73/17/14/646731714.db2.gz NFJSQKBAKRPDID-WCQYABFASA-N 2 2 269.389 0.435 20 0 CCADLP C[C@H]([NH3+])CN(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000877105243 646731721 /nfs/dbraw/zinc/73/17/21/646731721.db2.gz NFJSQKBAKRPDID-WCQYABFASA-N 2 2 269.389 0.435 20 0 CCADLP CC[C@]1(C)COCC[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878318364 646892276 /nfs/dbraw/zinc/89/22/76/646892276.db2.gz SMLFGRBIJDWRFG-OAHLLOKOSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@]1(C)COCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878318364 646892279 /nfs/dbraw/zinc/89/22/79/646892279.db2.gz SMLFGRBIJDWRFG-OAHLLOKOSA-N 2 2 283.416 0.698 20 0 CCADLP NC(=O)c1ccc(CC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000878517595 646926787 /nfs/dbraw/zinc/92/67/87/646926787.db2.gz MXSZIBQYELZRJX-UHFFFAOYSA-N 2 2 299.378 0.873 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](CN2CCOC2=O)C1 ZINC000878660551 646953211 /nfs/dbraw/zinc/95/32/11/646953211.db2.gz VMGGIHSCIUYTES-LBPRGKRZSA-N 2 2 278.356 0.737 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](CN2CCOC2=O)C1 ZINC000878660551 646953215 /nfs/dbraw/zinc/95/32/15/646953215.db2.gz VMGGIHSCIUYTES-LBPRGKRZSA-N 2 2 278.356 0.737 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C)CC2)CC2(CCC2)O1 ZINC000878770597 646975778 /nfs/dbraw/zinc/97/57/78/646975778.db2.gz QLBARTJYHJLWPH-CYBMUJFWSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C)CC2)CC2(CCC2)O1 ZINC000878770597 646975785 /nfs/dbraw/zinc/97/57/85/646975785.db2.gz QLBARTJYHJLWPH-CYBMUJFWSA-N 2 2 295.427 0.840 20 0 CCADLP COCC1([N@H+](C)C[C@@H](O)C[NH+]2CCCC2)CCC1 ZINC000880186701 647168136 /nfs/dbraw/zinc/16/81/36/647168136.db2.gz MEIBLPSPVLBHLD-CYBMUJFWSA-N 2 2 256.390 0.944 20 0 CCADLP COCC1([N@@H+](C)C[C@@H](O)C[NH+]2CCCC2)CCC1 ZINC000880186701 647168137 /nfs/dbraw/zinc/16/81/37/647168137.db2.gz MEIBLPSPVLBHLD-CYBMUJFWSA-N 2 2 256.390 0.944 20 0 CCADLP Cn1nnnc1CC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880475677 647205177 /nfs/dbraw/zinc/20/51/77/647205177.db2.gz HCQQNJNGILBWRJ-UHFFFAOYSA-N 2 2 264.377 0.313 20 0 CCADLP [NH3+]CC[N@H+](CC[C@@H]1CCCC1(F)F)C[C@H](O)CO ZINC000883434804 647526345 /nfs/dbraw/zinc/52/63/45/647526345.db2.gz BFOSSYAZANTOSM-QWRGUYRKSA-N 2 2 266.332 0.426 20 0 CCADLP [NH3+]CC[N@@H+](CC[C@@H]1CCCC1(F)F)C[C@H](O)CO ZINC000883434804 647526349 /nfs/dbraw/zinc/52/63/49/647526349.db2.gz BFOSSYAZANTOSM-QWRGUYRKSA-N 2 2 266.332 0.426 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c[nH+]1 ZINC000884276033 647692032 /nfs/dbraw/zinc/69/20/32/647692032.db2.gz DEWGXXSYEGRVHM-TXEJJXNPSA-N 2 2 262.357 0.604 20 0 CCADLP C[C@](O)(C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1)C(F)F ZINC000886238732 647926880 /nfs/dbraw/zinc/92/68/80/647926880.db2.gz HBKLGHIAOGVVME-ZDUSSCGKSA-N 2 2 292.370 0.829 20 0 CCADLP C[C@@](O)(C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)C(F)F ZINC000886285998 647956658 /nfs/dbraw/zinc/95/66/58/647956658.db2.gz YODUJTHBPFSWTN-DGCLKSJQSA-N 2 2 278.343 0.534 20 0 CCADLP C[C@@](O)(C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)C(F)F ZINC000886285998 647956677 /nfs/dbraw/zinc/95/66/77/647956677.db2.gz YODUJTHBPFSWTN-DGCLKSJQSA-N 2 2 278.343 0.534 20 0 CCADLP Cn1cc([C@@H]2C[N@H+](C[C@@H]3C[C@]34CCOC4)C[C@H]2[NH3+])cn1 ZINC000886840212 648024050 /nfs/dbraw/zinc/02/40/50/648024050.db2.gz WUIHZVIOUZQGOZ-XQLPTFJDSA-N 2 2 276.384 0.573 20 0 CCADLP Cn1cc([C@@H]2C[N@@H+](C[C@@H]3C[C@]34CCOC4)C[C@H]2[NH3+])cn1 ZINC000886840212 648024052 /nfs/dbraw/zinc/02/40/52/648024052.db2.gz WUIHZVIOUZQGOZ-XQLPTFJDSA-N 2 2 276.384 0.573 20 0 CCADLP C[C@H]1CN(C(=O)C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)CCO1 ZINC000886870499 648027766 /nfs/dbraw/zinc/02/77/66/648027766.db2.gz ZQTZDZKRYAOJMS-HOCLYGCPSA-N 2 2 295.427 0.699 20 0 CCADLP C[C@H]1CN(C(=O)C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)CCO1 ZINC000886870499 648027771 /nfs/dbraw/zinc/02/77/71/648027771.db2.gz ZQTZDZKRYAOJMS-HOCLYGCPSA-N 2 2 295.427 0.699 20 0 CCADLP C[C@H](C[NH2+][C@H]1CCC[NH2+][C@H]1C)N1CC[NH+](C)CC1 ZINC000925490051 648439178 /nfs/dbraw/zinc/43/91/78/648439178.db2.gz AHWQPTNBAIIBKV-RDBSUJKOSA-N 3 2 254.422 0.352 20 0 CCADLP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+][C@@H]2C[NH2+]CCOC2)cn1 ZINC000925709746 648455906 /nfs/dbraw/zinc/45/59/06/648455906.db2.gz VNXWFMQEEAXZLB-RRFJBIMHSA-N 2 2 278.400 0.709 20 0 CCADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925839798 648465185 /nfs/dbraw/zinc/46/51/85/648465185.db2.gz FKLUIOXGJSHCRZ-HUUCEWRRSA-N 3 2 268.449 0.792 20 0 CCADLP C[C@@H]1OC[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)[C@@H]1C ZINC000926747744 648523588 /nfs/dbraw/zinc/52/35/88/648523588.db2.gz XRQNRHNLLPNSLC-XQHKEYJVSA-N 2 2 269.389 0.339 20 0 CCADLP C[C@@H]1OC[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)[C@@H]1C ZINC000926747744 648523590 /nfs/dbraw/zinc/52/35/90/648523590.db2.gz XRQNRHNLLPNSLC-XQHKEYJVSA-N 2 2 269.389 0.339 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928093145 648615076 /nfs/dbraw/zinc/61/50/76/648615076.db2.gz KEDJAGAVVUJGIS-OLZOCXBDSA-N 2 2 294.424 0.969 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928093145 648615080 /nfs/dbraw/zinc/61/50/80/648615080.db2.gz KEDJAGAVVUJGIS-OLZOCXBDSA-N 2 2 294.424 0.969 20 0 CCADLP C[C@@H]1[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC[N@@H+]1C ZINC000928431858 648630440 /nfs/dbraw/zinc/63/04/40/648630440.db2.gz HGQHDIHYOLJZHW-GRYCIOLGSA-N 2 2 262.357 0.654 20 0 CCADLP C[C@@H]1[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC[N@H+]1C ZINC000928431858 648630445 /nfs/dbraw/zinc/63/04/45/648630445.db2.gz HGQHDIHYOLJZHW-GRYCIOLGSA-N 2 2 262.357 0.654 20 0 CCADLP O[C@H](C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C1(O)CCOCC1 ZINC000929992132 648810115 /nfs/dbraw/zinc/81/01/15/648810115.db2.gz MNZPLHGUBDDLKI-QWHCGFSZSA-N 2 2 295.383 0.492 20 0 CCADLP O[C@H](C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C1(O)CCOCC1 ZINC000929992132 648810117 /nfs/dbraw/zinc/81/01/17/648810117.db2.gz MNZPLHGUBDDLKI-QWHCGFSZSA-N 2 2 295.383 0.492 20 0 CCADLP Nc1cc[nH+]c2c1C[N@H+](C[C@@H](O)Cn1cccn1)CC2 ZINC000931511782 648998498 /nfs/dbraw/zinc/99/84/98/648998498.db2.gz QLEKYEIVCSGGAU-LLVKDONJSA-N 2 2 273.340 0.280 20 0 CCADLP Nc1cc[nH+]c2c1C[N@@H+](C[C@@H](O)Cn1cccn1)CC2 ZINC000931511782 648998503 /nfs/dbraw/zinc/99/85/03/648998503.db2.gz QLEKYEIVCSGGAU-LLVKDONJSA-N 2 2 273.340 0.280 20 0 CCADLP CSC[C@H](O)C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931519384 649000521 /nfs/dbraw/zinc/00/05/21/649000521.db2.gz SAJFNPAXYZOZTC-SECBINFHSA-N 2 2 253.371 0.746 20 0 CCADLP CSC[C@H](O)C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931519384 649000524 /nfs/dbraw/zinc/00/05/24/649000524.db2.gz SAJFNPAXYZOZTC-SECBINFHSA-N 2 2 253.371 0.746 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CC1(C)COC1 ZINC000932713686 649086475 /nfs/dbraw/zinc/08/64/75/649086475.db2.gz RXTSEYSTRLRXMO-UHFFFAOYSA-N 2 2 297.443 0.897 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CC1(C)COC1 ZINC000932713686 649086478 /nfs/dbraw/zinc/08/64/78/649086478.db2.gz RXTSEYSTRLRXMO-UHFFFAOYSA-N 2 2 297.443 0.897 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000949623626 649434050 /nfs/dbraw/zinc/43/40/50/649434050.db2.gz IQUWREKOAYMNLK-ZDUSSCGKSA-N 2 2 283.416 0.386 20 0 CCADLP CC1(C)CC[N@H+](CC(=O)N2CC[NH+](CCCO)CC2)C1 ZINC000950505510 649479393 /nfs/dbraw/zinc/47/93/93/649479393.db2.gz BFMYTOCDCYUGAI-UHFFFAOYSA-N 2 2 283.416 0.245 20 0 CCADLP CC1(C)CC[N@@H+](CC(=O)N2CC[NH+](CCCO)CC2)C1 ZINC000950505510 649479398 /nfs/dbraw/zinc/47/93/98/649479398.db2.gz BFMYTOCDCYUGAI-UHFFFAOYSA-N 2 2 283.416 0.245 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000957900403 649769074 /nfs/dbraw/zinc/76/90/74/649769074.db2.gz VOPAUJAZUQIZDS-AWEZNQCLSA-N 2 2 292.383 0.596 20 0 CCADLP CCOc1cc[nH+]c(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC001164669309 719391901 /nfs/dbraw/zinc/39/19/01/719391901.db2.gz URDQDPJUYLBFEK-STQMWFEESA-N 2 2 263.341 1.000 20 0 CCADLP CCOc1cc[nH+]c(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC001164669309 719391904 /nfs/dbraw/zinc/39/19/04/719391904.db2.gz URDQDPJUYLBFEK-STQMWFEESA-N 2 2 263.341 1.000 20 0 CCADLP C[NH+](C)[C@H]1CCCN(c2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000354075394 721893173 /nfs/dbraw/zinc/89/31/73/721893173.db2.gz KWESLBJESGPLCT-ZDUSSCGKSA-N 2 2 291.399 0.844 20 0 CCADLP Nc1cccc(N2CC[NH+](C[C@H]3CCCO3)CC2)[nH+]1 ZINC001165037460 721904656 /nfs/dbraw/zinc/90/46/56/721904656.db2.gz HGLLYGNOJPSTRP-GFCCVEGCSA-N 2 2 262.357 0.965 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001230352599 805596575 /nfs/dbraw/zinc/59/65/75/805596575.db2.gz HLHIKVFXOLOQFD-MGPQQGTHSA-N 2 2 294.399 0.935 20 0 CCADLP COCCC[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001279396032 790647986 /nfs/dbraw/zinc/64/79/86/790647986.db2.gz QTOZZJGAKNRQDD-BETUJISGSA-N 2 2 292.383 0.379 20 0 CCADLP COCCC[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001279396032 790647992 /nfs/dbraw/zinc/64/79/92/790647992.db2.gz QTOZZJGAKNRQDD-BETUJISGSA-N 2 2 292.383 0.379 20 0 CCADLP O=C1OCCN1CC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000403155006 791253166 /nfs/dbraw/zinc/25/31/66/791253166.db2.gz CUBHKYKYLRINDJ-UHFFFAOYSA-N 2 2 267.373 0.903 20 0 CCADLP C[NH+]1CCN(C2C[NH+](Cc3cccc4nonc43)C2)CC1 ZINC001203142403 790828591 /nfs/dbraw/zinc/82/85/91/790828591.db2.gz IPLJUVKWOJEKAJ-UHFFFAOYSA-N 2 2 287.367 0.654 20 0 CCADLP C[C@H](O)C[NH2+]CC1(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001167331415 790904633 /nfs/dbraw/zinc/90/46/33/790904633.db2.gz JOHSHIZVRKLDSW-NSHDSACASA-N 2 2 280.372 0.209 20 0 CCADLP COC[C@H](C)[NH2+]CC1(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001167331518 790904865 /nfs/dbraw/zinc/90/48/65/790904865.db2.gz OCDBKMXARSQRTL-LBPRGKRZSA-N 2 2 294.399 0.863 20 0 CCADLP c1cn2c([nH+]1)CC[C@@H](Oc1[nH+][nH]cc3nncc1-3)C2 ZINC001230900193 805687209 /nfs/dbraw/zinc/68/72/09/805687209.db2.gz FURDQNIGIAZXGO-MRVPVSSYSA-N 2 2 256.269 0.943 20 0 CCADLP Cn1c[nH+]cc1N1CC2(C1)C[NH+](Cc1cccc(=O)[nH]1)C2 ZINC001277765364 806023315 /nfs/dbraw/zinc/02/33/15/806023315.db2.gz FTOWEVPVEPCQMQ-UHFFFAOYSA-N 2 2 285.351 0.843 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CCCC[C@@H]1C[NH2+]CCO ZINC001266872214 791310763 /nfs/dbraw/zinc/31/07/63/791310763.db2.gz IGIGVSZARPIUEA-CYBMUJFWSA-N 2 2 294.399 0.316 20 0 CCADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891819688 791333463 /nfs/dbraw/zinc/33/34/63/791333463.db2.gz REBCHUYBJVVQCH-AGIUHOORSA-N 2 2 289.383 0.734 20 0 CCADLP COCC[NH2+][C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001266956032 791391916 /nfs/dbraw/zinc/39/19/16/791391916.db2.gz KNEUPQFPAOJAGJ-LLVKDONJSA-N 2 2 276.340 0.689 20 0 CCADLP CN(CC[NH2+]Cc1cnsn1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001266989121 791425023 /nfs/dbraw/zinc/42/50/23/791425023.db2.gz SRNIBJFXQAIMDT-LLVKDONJSA-N 2 2 297.428 0.428 20 0 CCADLP CN(CC[NH2+]Cc1cnsn1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001266989121 791425030 /nfs/dbraw/zinc/42/50/30/791425030.db2.gz SRNIBJFXQAIMDT-LLVKDONJSA-N 2 2 297.428 0.428 20 0 CCADLP COC[C@H](C)[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001266994988 791428258 /nfs/dbraw/zinc/42/82/58/791428258.db2.gz DUALOSJHEMWSQC-QWRGUYRKSA-N 2 2 254.334 0.012 20 0 CCADLP COCC[NH2+][C@@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001267150315 791595574 /nfs/dbraw/zinc/59/55/74/791595574.db2.gz ADBMQHSNUDYFCN-JTQLQIEISA-N 2 2 254.334 0.083 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@H]1C[NH2+]CCCO ZINC001277873300 806294458 /nfs/dbraw/zinc/29/44/58/806294458.db2.gz GRNSTVSKBLJOEC-YNEHKIRRSA-N 2 2 292.383 0.476 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@H]1C[NH2+]CCCO ZINC001277873300 806294466 /nfs/dbraw/zinc/29/44/66/806294466.db2.gz GRNSTVSKBLJOEC-YNEHKIRRSA-N 2 2 292.383 0.476 20 0 CCADLP c1c(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)sc2c1C[NH2+]CC2 ZINC001235053085 806355853 /nfs/dbraw/zinc/35/58/53/806355853.db2.gz JESPBVXGEGLRHO-HNNXBMFYSA-N 3 2 292.452 0.531 20 0 CCADLP c1c(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)sc2c1C[NH2+]CC2 ZINC001235053085 806355861 /nfs/dbraw/zinc/35/58/61/806355861.db2.gz JESPBVXGEGLRHO-HNNXBMFYSA-N 3 2 292.452 0.531 20 0 CCADLP OCCOc1ccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235056059 806360614 /nfs/dbraw/zinc/36/06/14/806360614.db2.gz YIMIJBUZHYWKQI-MRXNPFEDSA-N 2 2 291.395 0.195 20 0 CCADLP OCCOc1ccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235056059 806360623 /nfs/dbraw/zinc/36/06/23/806360623.db2.gz YIMIJBUZHYWKQI-MRXNPFEDSA-N 2 2 291.395 0.195 20 0 CCADLP Cc1c(O)cccc1C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235062582 806364060 /nfs/dbraw/zinc/36/40/60/806364060.db2.gz NCVNDXUOMBXDDG-OAHLLOKOSA-N 2 2 261.369 0.838 20 0 CCADLP Cc1c(O)cccc1C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235062582 806364070 /nfs/dbraw/zinc/36/40/70/806364070.db2.gz NCVNDXUOMBXDDG-OAHLLOKOSA-N 2 2 261.369 0.838 20 0 CCADLP COCCCC[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001277946782 806426564 /nfs/dbraw/zinc/42/65/64/806426564.db2.gz BBRSKUHEJSXEAC-AWEZNQCLSA-N 2 2 294.399 0.959 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1CC[C@@]2(CC(=O)N(c3cnn(C)c3)C2)C1 ZINC001235583971 806463562 /nfs/dbraw/zinc/46/35/62/806463562.db2.gz NRYLFOBPWVSBHZ-SMDDNHRTSA-N 2 2 277.372 0.196 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1CC[C@@]2(CC(=O)N(c3cnn(C)c3)C2)C1 ZINC001235583971 806463565 /nfs/dbraw/zinc/46/35/65/806463565.db2.gz NRYLFOBPWVSBHZ-SMDDNHRTSA-N 2 2 277.372 0.196 20 0 CCADLP COc1ccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c(C)n1 ZINC001235997763 806525105 /nfs/dbraw/zinc/52/51/05/806525105.db2.gz HJKQLQBRIJQXIN-NNQSOWQGSA-N 2 2 277.368 0.804 20 0 CCADLP COc1ccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c(C)n1 ZINC001235997763 806525109 /nfs/dbraw/zinc/52/51/09/806525109.db2.gz HJKQLQBRIJQXIN-NNQSOWQGSA-N 2 2 277.368 0.804 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246094298 807151380 /nfs/dbraw/zinc/15/13/80/807151380.db2.gz DWNSWJNTPYQOBS-VOAKCMCISA-N 2 2 283.416 0.646 20 0 CCADLP COCC[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC001236336531 806568898 /nfs/dbraw/zinc/56/88/98/806568898.db2.gz YXCROHUSABYMFO-UONOGXRCSA-N 3 2 255.406 0.686 20 0 CCADLP COCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC001236336531 806568901 /nfs/dbraw/zinc/56/89/01/806568901.db2.gz YXCROHUSABYMFO-UONOGXRCSA-N 3 2 255.406 0.686 20 0 CCADLP COC(=O)[C@H]1C[N@H+](C[C@@H]2CC[C@@H](C(=O)OC)CC2)C[C@H]1[NH3+] ZINC001236340838 806571203 /nfs/dbraw/zinc/57/12/03/806571203.db2.gz JZJLYEZWTXSRFO-ZDEQEGDKSA-N 2 2 298.383 0.398 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](C[C@@H]2CC[C@@H](C(=O)OC)CC2)C[C@H]1[NH3+] ZINC001236340838 806571205 /nfs/dbraw/zinc/57/12/05/806571205.db2.gz JZJLYEZWTXSRFO-ZDEQEGDKSA-N 2 2 298.383 0.398 20 0 CCADLP COCCC[NH2+][C@@H](C)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001278003292 806605252 /nfs/dbraw/zinc/60/52/52/806605252.db2.gz RSDYWAUBJBIHRX-NSHDSACASA-N 2 2 282.388 0.734 20 0 CCADLP COCCC[NH2+][C@H](C)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001278003291 806605806 /nfs/dbraw/zinc/60/58/06/806605806.db2.gz RSDYWAUBJBIHRX-LLVKDONJSA-N 2 2 282.388 0.734 20 0 CCADLP [NH3+][C@@H]1NC(CN2CC[C@@H]3[NH2+]CCC[C@H]3C2)=CS1 ZINC001237379825 806656264 /nfs/dbraw/zinc/65/62/64/806656264.db2.gz DBLJGRGVFIMBHA-ZMLRMANQSA-N 2 2 254.403 0.480 20 0 CCADLP Cc1[nH+]cn(C)c1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC001237542512 806679492 /nfs/dbraw/zinc/67/94/92/806679492.db2.gz VGIFPXCJNGJRGD-UHFFFAOYSA-N 2 2 272.374 0.470 20 0 CCADLP C[C@H]1C[NH+](CCCNc2cc[nH+]c(N)n2)C[C@H](C)O1 ZINC001120796810 798939100 /nfs/dbraw/zinc/93/91/00/798939100.db2.gz FXBPLWLJWNKVFH-QWRGUYRKSA-N 2 2 265.361 0.970 20 0 CCADLP C[NH2+]CCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001122173882 799161325 /nfs/dbraw/zinc/16/13/25/799161325.db2.gz QMLNNFGSPNBBEU-LBPRGKRZSA-N 2 2 264.373 0.902 20 0 CCADLP Cc1cnc(F)cc1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001122238270 799177219 /nfs/dbraw/zinc/17/72/19/799177219.db2.gz CDYRKLNTDDDWJS-UHFFFAOYSA-N 2 2 280.347 0.682 20 0 CCADLP CCN(C(=O)CCc1[nH+]ccn1C)[C@@H]1CC[N@H+](C)C1 ZINC001123925927 799506499 /nfs/dbraw/zinc/50/64/99/799506499.db2.gz XBJSXRDDRFJSSJ-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP CCN(C(=O)CCc1[nH+]ccn1C)[C@@H]1CC[N@@H+](C)C1 ZINC001123925927 799506503 /nfs/dbraw/zinc/50/65/03/799506503.db2.gz XBJSXRDDRFJSSJ-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC001202878165 799768865 /nfs/dbraw/zinc/76/88/65/799768865.db2.gz MOLSUSSPDLHMEU-ZFWWWQNUSA-N 2 2 295.427 0.840 20 0 CCADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC001202878165 799768868 /nfs/dbraw/zinc/76/88/68/799768868.db2.gz MOLSUSSPDLHMEU-ZFWWWQNUSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@@H](O)C3)s2)CC1 ZINC001139320081 799803369 /nfs/dbraw/zinc/80/33/69/799803369.db2.gz OTPNSJZYKIJSPR-LLVKDONJSA-N 2 2 282.413 0.462 20 0 CCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@@H](O)C3)s2)CC1 ZINC001139320081 799803373 /nfs/dbraw/zinc/80/33/73/799803373.db2.gz OTPNSJZYKIJSPR-LLVKDONJSA-N 2 2 282.413 0.462 20 0 CCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@](C)(O)C3)s2)CC1 ZINC001139322157 799803447 /nfs/dbraw/zinc/80/34/47/799803447.db2.gz PGIWYGGPXIIUNH-AWEZNQCLSA-N 2 2 296.440 0.852 20 0 CCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@](C)(O)C3)s2)CC1 ZINC001139322157 799803455 /nfs/dbraw/zinc/80/34/55/799803455.db2.gz PGIWYGGPXIIUNH-AWEZNQCLSA-N 2 2 296.440 0.852 20 0 CCADLP [NH3+]CCS(=O)(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC001238379503 806780653 /nfs/dbraw/zinc/78/06/53/806780653.db2.gz SEICPAMZPVWKHY-UHFFFAOYSA-N 2 2 280.353 0.250 20 0 CCADLP COCCn1cc(C[N@@H+]2CCc3[nH+]ccn3CC2)cn1 ZINC001139781388 799842498 /nfs/dbraw/zinc/84/24/98/799842498.db2.gz QJGGTCXCAQZUFR-UHFFFAOYSA-N 2 2 275.356 0.784 20 0 CCADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001140021713 799870657 /nfs/dbraw/zinc/87/06/57/799870657.db2.gz PFASVJOUHFIWAU-ZBFHGGJFSA-N 2 2 287.363 0.966 20 0 CCADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001140021713 799870661 /nfs/dbraw/zinc/87/06/61/799870661.db2.gz PFASVJOUHFIWAU-ZBFHGGJFSA-N 2 2 287.363 0.966 20 0 CCADLP C[C@@H](O)CCC[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001203051871 799925818 /nfs/dbraw/zinc/92/58/18/799925818.db2.gz JGDUWKISLYHPCI-GFCCVEGCSA-N 2 2 294.399 0.694 20 0 CCADLP Cc1nccnc1C[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001140938099 799961479 /nfs/dbraw/zinc/96/14/79/799961479.db2.gz UIHHPLZOQAZMBU-UHFFFAOYSA-N 2 2 263.389 0.464 20 0 CCADLP Cc1nccnc1C[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001140938099 799961484 /nfs/dbraw/zinc/96/14/84/799961484.db2.gz UIHHPLZOQAZMBU-UHFFFAOYSA-N 2 2 263.389 0.464 20 0 CCADLP CC(C)[N@@H+]1CCCO[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001150052831 800313988 /nfs/dbraw/zinc/31/39/88/800313988.db2.gz BFOWPDCZLGRSOV-CQSZACIVSA-N 2 2 294.399 0.889 20 0 CCADLP CC(C)[N@H+]1CCCO[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001150052831 800313993 /nfs/dbraw/zinc/31/39/93/800313993.db2.gz BFOWPDCZLGRSOV-CQSZACIVSA-N 2 2 294.399 0.889 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1C[N@H+](CC2CC2)CCCO1 ZINC001150824648 800370682 /nfs/dbraw/zinc/37/06/82/800370682.db2.gz OLRJXVPFIWPSIL-AWEZNQCLSA-N 2 2 292.383 0.500 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1C[N@@H+](CC2CC2)CCCO1 ZINC001150824648 800370688 /nfs/dbraw/zinc/37/06/88/800370688.db2.gz OLRJXVPFIWPSIL-AWEZNQCLSA-N 2 2 292.383 0.500 20 0 CCADLP CCc1noc([C@@H](C)[NH2+]CCNC(=O)C[N@H+](C)C(C)C)n1 ZINC001152445526 800522968 /nfs/dbraw/zinc/52/29/68/800522968.db2.gz IQQNXEKKGXMDFO-LLVKDONJSA-N 2 2 297.403 0.739 20 0 CCADLP CCc1noc([C@@H](C)[NH2+]CCNC(=O)C[N@@H+](C)C(C)C)n1 ZINC001152445526 800522970 /nfs/dbraw/zinc/52/29/70/800522970.db2.gz IQQNXEKKGXMDFO-LLVKDONJSA-N 2 2 297.403 0.739 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1nncs1 ZINC001152458988 800525202 /nfs/dbraw/zinc/52/52/02/800525202.db2.gz WEMNGWMWXLFKGW-NSHDSACASA-N 2 2 297.428 0.618 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1nncs1 ZINC001152458988 800525207 /nfs/dbraw/zinc/52/52/07/800525207.db2.gz WEMNGWMWXLFKGW-NSHDSACASA-N 2 2 297.428 0.618 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[NH2+]Cc1cnon1)[NH+]1CCCC1 ZINC001152480515 800528073 /nfs/dbraw/zinc/52/80/73/800528073.db2.gz VUXRRUDAEXYUAJ-ZDUSSCGKSA-N 2 2 295.387 0.396 20 0 CCADLP C[NH+](C)[C@H](C(=O)NCC[NH2+]CCCF)c1cccnc1 ZINC001152618636 800542806 /nfs/dbraw/zinc/54/28/06/800542806.db2.gz QCKQWTFQGIZVPN-ZDUSSCGKSA-N 2 2 282.363 0.750 20 0 CCADLP Cn1cncc1C[NH2+]CCNC(=O)CCCn1cc[nH+]c1 ZINC001153339668 800623500 /nfs/dbraw/zinc/62/35/00/800623500.db2.gz YDTGUXAFVREHJF-UHFFFAOYSA-N 2 2 290.371 0.303 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]C[C@@H]1CCCOC1 ZINC001153495148 800635621 /nfs/dbraw/zinc/63/56/21/800635621.db2.gz CIRWVPWSMUAIRN-LBPRGKRZSA-N 2 2 266.345 0.016 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]C[C@H]1CCCOC1 ZINC001153495147 800635632 /nfs/dbraw/zinc/63/56/32/800635632.db2.gz CIRWVPWSMUAIRN-GFCCVEGCSA-N 2 2 266.345 0.016 20 0 CCADLP O=C1NCc2ccnc(-n3c[nH+]cc3C3CC[NH2+]CC3)c21 ZINC001155058095 800901667 /nfs/dbraw/zinc/90/16/67/800901667.db2.gz TWUBNPVCZPZRPR-UHFFFAOYSA-N 2 2 283.335 0.978 20 0 CCADLP COc1nccnc1N1CCC[C@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155363505 800959441 /nfs/dbraw/zinc/95/94/41/800959441.db2.gz NCWXHZQQVBZYQX-LBPRGKRZSA-N 2 2 277.372 0.345 20 0 CCADLP C[NH+](C)C1(CNc2ccc(F)c[n+]2[O-])CC[NH+](C)CC1 ZINC001156181871 801123422 /nfs/dbraw/zinc/12/34/22/801123422.db2.gz HBAQITFCGMITRT-UHFFFAOYSA-N 2 2 282.363 0.897 20 0 CCADLP CC[N@H+](CCCOC)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156383577 801159045 /nfs/dbraw/zinc/15/90/45/801159045.db2.gz OUFALAZQNORLLZ-CYBMUJFWSA-N 2 2 296.415 0.826 20 0 CCADLP CC[N@@H+](CCCOC)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156383577 801159047 /nfs/dbraw/zinc/15/90/47/801159047.db2.gz OUFALAZQNORLLZ-CYBMUJFWSA-N 2 2 296.415 0.826 20 0 CCADLP CC[N@H+](CCO)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001156623752 801199496 /nfs/dbraw/zinc/19/94/96/801199496.db2.gz MCAQYVOCQKGZEW-SNVBAGLBSA-N 2 2 268.361 0.080 20 0 CCADLP CC[N@@H+](CCO)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001156623752 801199501 /nfs/dbraw/zinc/19/95/01/801199501.db2.gz MCAQYVOCQKGZEW-SNVBAGLBSA-N 2 2 268.361 0.080 20 0 CCADLP CC[N@H+](C[C@@H]1CCOC1)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157294112 801346450 /nfs/dbraw/zinc/34/64/50/801346450.db2.gz SCJMQABFJYUGDL-KGLIPLIRSA-N 2 2 294.399 0.746 20 0 CCADLP CC[N@@H+](C[C@@H]1CCOC1)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157294112 801346458 /nfs/dbraw/zinc/34/64/58/801346458.db2.gz SCJMQABFJYUGDL-KGLIPLIRSA-N 2 2 294.399 0.746 20 0 CCADLP CC1(Nc2cc(N3CCOCC3)nc[nH+]2)CC[NH2+]CC1 ZINC001157396806 801369452 /nfs/dbraw/zinc/36/94/52/801369452.db2.gz GIMJYZIZSCLPLI-UHFFFAOYSA-N 2 2 277.372 0.867 20 0 CCADLP CC1(Nc2cc(N3CCOCC3)[nH+]cn2)CC[NH2+]CC1 ZINC001157396806 801369458 /nfs/dbraw/zinc/36/94/58/801369458.db2.gz GIMJYZIZSCLPLI-UHFFFAOYSA-N 2 2 277.372 0.867 20 0 CCADLP C[NH+]1CCN(c2cccc(NC[C@H]3COCCO3)[nH+]2)CC1 ZINC001157483157 801397434 /nfs/dbraw/zinc/39/74/34/801397434.db2.gz KVCGSLUPGUTIND-ZDUSSCGKSA-N 2 2 292.383 0.661 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@H]2[NH2+]CC[C@@H]2O)[C@@H](c2ccccc2)C1 ZINC001157507154 801401271 /nfs/dbraw/zinc/40/12/71/801401271.db2.gz FASBCWZMZLQGGC-ILXRZTDVSA-N 2 2 289.379 0.225 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]2[NH2+]CC[C@@H]2O)[C@@H](c2ccccc2)C1 ZINC001157507154 801401273 /nfs/dbraw/zinc/40/12/73/801401273.db2.gz FASBCWZMZLQGGC-ILXRZTDVSA-N 2 2 289.379 0.225 20 0 CCADLP CN(C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)C1CC(F)(F)C1 ZINC001157565284 801419735 /nfs/dbraw/zinc/41/97/35/801419735.db2.gz YLNDYWIYLGSZMR-KKZNHRDASA-N 2 2 259.300 0.464 20 0 CCADLP CN(C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)C1CC(F)(F)C1 ZINC001157564321 801420993 /nfs/dbraw/zinc/42/09/93/801420993.db2.gz JISVFQISYIIOPJ-PELKAZGASA-N 2 2 259.300 0.194 20 0 CCADLP C[C@H]1CCCCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001157780767 801482803 /nfs/dbraw/zinc/48/28/03/801482803.db2.gz JJWORPSAUKMNAJ-JQWIXIFHSA-N 2 2 250.346 0.928 20 0 CCADLP CCC1(Nc2cc(N3CCC[C@H]3C(N)=O)[nH+]cn2)C[NH2+]C1 ZINC001157788279 801484940 /nfs/dbraw/zinc/48/49/40/801484940.db2.gz YMMLOWBGTFKGNM-JTQLQIEISA-N 2 2 290.371 0.095 20 0 CCADLP CCC1(Nc2cc(N3CCC[C@@H]3C(N)=O)[nH+]cn2)C[NH2+]C1 ZINC001157788280 801485140 /nfs/dbraw/zinc/48/51/40/801485140.db2.gz YMMLOWBGTFKGNM-SNVBAGLBSA-N 2 2 290.371 0.095 20 0 CCADLP C[C@H]1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CCC1(F)F ZINC001157847772 801500517 /nfs/dbraw/zinc/50/05/17/801500517.db2.gz MWKCNQZLUPLKOY-AEJSXWLSSA-N 2 2 261.316 0.569 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cc(-c3nnco3)ccn2)CC1 ZINC001157916013 801520495 /nfs/dbraw/zinc/52/04/95/801520495.db2.gz JXZDQALNVNSGMM-UHFFFAOYSA-N 2 2 287.327 0.726 20 0 CCADLP CC(C)Oc1nccnc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001157915660 801520596 /nfs/dbraw/zinc/52/05/96/801520596.db2.gz CZVWBRNJBPZVFJ-UHFFFAOYSA-N 2 2 278.360 0.858 20 0 CCADLP CCOC(=O)c1cncc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001157915169 801520778 /nfs/dbraw/zinc/52/07/78/801520778.db2.gz SKSDEBVNWGFIHT-UHFFFAOYSA-N 2 2 292.343 0.247 20 0 CCADLP COCc1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)nn1 ZINC001157916442 801520864 /nfs/dbraw/zinc/52/08/64/801520864.db2.gz YZOPSFMONXUMON-UHFFFAOYSA-N 2 2 264.333 0.217 20 0 CCADLP C[C@]1(F)CCN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)C[C@@H]1F ZINC001157922800 801523238 /nfs/dbraw/zinc/52/32/38/801523238.db2.gz YMZYQMBCBXEALV-SCVCMEIPSA-N 2 2 272.299 0.578 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc(Cl)ccn1 ZINC001158203792 801591074 /nfs/dbraw/zinc/59/10/74/801591074.db2.gz QAXJUMLNYJJOKD-SECBINFHSA-N 2 2 252.705 0.783 20 0 CCADLP CCN(c1cc[nH+]c(N2CCOCC2)n1)[C@@H]1CCC[NH2+]C1 ZINC001158205387 801592853 /nfs/dbraw/zinc/59/28/53/801592853.db2.gz PGGHQAQTAYULLH-CYBMUJFWSA-N 2 2 291.399 0.892 20 0 CCADLP Cc1c(F)ccnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158206316 801593817 /nfs/dbraw/zinc/59/38/17/801593817.db2.gz JGWKCXMAHCUWTE-SECBINFHSA-N 2 2 250.277 0.577 20 0 CCADLP Cc1cn(-c2ccc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)nn2)cn1 ZINC001158206424 801593997 /nfs/dbraw/zinc/59/39/97/801593997.db2.gz NVXGWAIXYATFLL-LLVKDONJSA-N 2 2 299.338 0.019 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncc2cccnc2n1 ZINC001158206733 801594611 /nfs/dbraw/zinc/59/46/11/801594611.db2.gz YTKZWTHHRYIBES-SNVBAGLBSA-N 2 2 270.296 0.073 20 0 CCADLP COc1ncnc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)c1C ZINC001158262034 801608055 /nfs/dbraw/zinc/60/80/55/801608055.db2.gz QIVKLHZAJBXTGR-GFCCVEGCSA-N 2 2 291.399 0.795 20 0 CCADLP COc1ncnc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)c1C ZINC001158262034 801608057 /nfs/dbraw/zinc/60/80/57/801608057.db2.gz QIVKLHZAJBXTGR-GFCCVEGCSA-N 2 2 291.399 0.795 20 0 CCADLP C[N@H+](CCO)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001158955735 801728124 /nfs/dbraw/zinc/72/81/24/801728124.db2.gz USOUQXAEDWFQMZ-CYBMUJFWSA-N 2 2 280.372 0.188 20 0 CCADLP C[N@@H+](CCO)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001158955735 801728127 /nfs/dbraw/zinc/72/81/27/801728127.db2.gz USOUQXAEDWFQMZ-CYBMUJFWSA-N 2 2 280.372 0.188 20 0 CCADLP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001160454205 801943263 /nfs/dbraw/zinc/94/32/63/801943263.db2.gz JYEFVINTRITIDF-ZDUSSCGKSA-N 3 2 279.388 0.080 20 0 CCADLP CC[NH+](CC)C1CCN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001160478052 801947681 /nfs/dbraw/zinc/94/76/81/801947681.db2.gz IYQOWAIHLPGROO-CQSZACIVSA-N 3 2 293.415 0.612 20 0 CCADLP COc1ncc(F)c(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)n1 ZINC001160512196 801956613 /nfs/dbraw/zinc/95/66/13/801956613.db2.gz UELDMBRSPMBUOD-ZDUSSCGKSA-N 2 2 281.335 0.459 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CCC([NH3+])CC2)cc1 ZINC001160522471 801960943 /nfs/dbraw/zinc/96/09/43/801960943.db2.gz JJRNZINVRBHCGC-ZDUSSCGKSA-N 3 2 262.357 0.208 20 0 CCADLP CC(C)C[C@@H](C(=O)NCCC[NH2+]C[C@@H](C)O)n1cc[nH+]c1 ZINC001160528772 801962126 /nfs/dbraw/zinc/96/21/26/801962126.db2.gz UWXFPELYIJWBKW-KGLIPLIRSA-N 2 2 296.415 0.947 20 0 CCADLP Cc1nc([C@H]2CCCCN2C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)no1 ZINC001160549723 801968515 /nfs/dbraw/zinc/96/85/15/801968515.db2.gz WLJINWWLXKRZHP-OUAUKWLOSA-N 2 2 279.344 0.121 20 0 CCADLP C[C@H]1CC(=O)CCN1C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001160642507 801987430 /nfs/dbraw/zinc/98/74/30/801987430.db2.gz KFYKSYSUEXDLPC-HZMBPMFUSA-N 2 2 275.352 0.839 20 0 CCADLP COc1ccc(CN(C)C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c(OC)c1 ZINC001160675440 801996873 /nfs/dbraw/zinc/99/68/73/801996873.db2.gz BKCNUACBUZCQNE-STQMWFEESA-N 2 2 293.367 0.209 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@H]1c1nccs1 ZINC001160687800 802001071 /nfs/dbraw/zinc/00/10/71/802001071.db2.gz IURUGWBDTQXWGS-GUBZILKMSA-N 2 2 266.370 0.353 20 0 CCADLP [NH3+][C@@H](C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)C1CC[NH2+]CC1 ZINC001160692850 802003627 /nfs/dbraw/zinc/00/36/27/802003627.db2.gz FYKHLMFOBWWOAW-QWHCGFSZSA-N 3 2 291.399 0.443 20 0 CCADLP COC(=O)C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001160832143 802023223 /nfs/dbraw/zinc/02/32/23/802023223.db2.gz FZCBFPRWWLRLMB-JQWIXIFHSA-N 2 2 294.355 0.081 20 0 CCADLP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC001160849042 802031828 /nfs/dbraw/zinc/03/18/28/802031828.db2.gz MVTUZFUHVKQNGT-VVLHAWIVSA-N 2 2 297.402 0.893 20 0 CCADLP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC001160849042 802031834 /nfs/dbraw/zinc/03/18/34/802031834.db2.gz MVTUZFUHVKQNGT-VVLHAWIVSA-N 2 2 297.402 0.893 20 0 CCADLP CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)[C@@]1(N)CC[NH2+]C1 ZINC001161030512 802070173 /nfs/dbraw/zinc/07/01/73/802070173.db2.gz AJZJFIXDDMGRIA-MRXNPFEDSA-N 2 2 299.378 0.522 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCOC[C@H]2Cc2ccccc2)C1 ZINC001161143823 802100829 /nfs/dbraw/zinc/10/08/29/802100829.db2.gz GACVOKNWXMEWOW-KFWWJZLASA-N 2 2 289.379 0.146 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)[C@H]2CCC[N@H+]2C2CC2)c1 ZINC001161166929 802103843 /nfs/dbraw/zinc/10/38/43/802103843.db2.gz LCIDPNHLGGKDLI-CYBMUJFWSA-N 2 2 262.357 0.706 20 0 CCADLP C[C@@H]1CN(C(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)[C@@H](C)CO1 ZINC001161235852 802113759 /nfs/dbraw/zinc/11/37/59/802113759.db2.gz ZXCGXCLHTOBCFH-MISXGVKJSA-N 2 2 277.368 0.895 20 0 CCADLP CC(C)(C)CN(C(=O)C1([NH3+])CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001161259190 802117708 /nfs/dbraw/zinc/11/77/08/802117708.db2.gz ZAJNZHTUYCFSAD-UHFFFAOYSA-N 3 2 296.459 0.694 20 0 CCADLP CCN(C(=O)CCc1[nH]cc[nH+]1)[C@@H]1CCC[NH2+]C1 ZINC001161331870 802130030 /nfs/dbraw/zinc/13/00/30/802130030.db2.gz HRYMFDVTPHDEHC-LLVKDONJSA-N 2 2 250.346 0.943 20 0 CCADLP COc1cc2c(cc1OC)CN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C2 ZINC001161469960 802159660 /nfs/dbraw/zinc/15/96/60/802159660.db2.gz YNNBMFPJWCYGJI-NEPJUHHUSA-N 2 2 291.351 0.235 20 0 CCADLP [NH3+][C@H](C(=O)N1CC[NH2+]C2(CC2)C1)c1ccsc1 ZINC001161542946 802173361 /nfs/dbraw/zinc/17/33/61/802173361.db2.gz LQDRDBDTYXTPTA-JTQLQIEISA-N 2 2 251.355 0.712 20 0 CCADLP Nc1ccc(CCC(=O)N2CC[NH2+]C3(CC3)C2)c[nH+]1 ZINC001161550121 802176969 /nfs/dbraw/zinc/17/69/69/802176969.db2.gz FABUMPAJPBFDAI-UHFFFAOYSA-N 2 2 260.341 0.561 20 0 CCADLP c1cn(CCCNc2nccc(C3C[NH2+]C3)n2)c[nH+]1 ZINC001161681926 802198748 /nfs/dbraw/zinc/19/87/48/802198748.db2.gz FEWKAWHDKYRDQH-UHFFFAOYSA-N 2 2 258.329 0.862 20 0 CCADLP CCOC(=O)[C@H]([NH3+])CNc1cc(N2CCCC2)[nH+]c(C)n1 ZINC001161945301 802251926 /nfs/dbraw/zinc/25/19/26/802251926.db2.gz HWYUKJNYTWYPMQ-LLVKDONJSA-N 2 2 293.371 0.688 20 0 CCADLP CCOC(=O)c1c(C[NH3+])ncn1-c1c[nH+]ccc1OC ZINC001162537772 802361672 /nfs/dbraw/zinc/36/16/72/802361672.db2.gz SPKDBUNRYFDWJI-UHFFFAOYSA-N 2 2 276.296 0.911 20 0 CCADLP Cc1nc(-n2cncn2)cc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)[nH+]1 ZINC001162800499 802421635 /nfs/dbraw/zinc/42/16/35/802421635.db2.gz BFUCIQBXWMUWNF-SDDRHHMPSA-N 2 2 283.339 0.552 20 0 CCADLP COC(=O)[C@@H](Nc1c[nH+]c2c(c1)CCCN2)C(C)(C)[NH3+] ZINC001162956134 802444197 /nfs/dbraw/zinc/44/41/97/802444197.db2.gz LGUOJTNONPLSEA-LLVKDONJSA-N 2 2 278.356 0.418 20 0 CCADLP C[N@@H+]1CCC[C@@H](N[C@H]2CC[NH+](C3CCOCC3)C2)C1 ZINC001255475274 808382929 /nfs/dbraw/zinc/38/29/29/808382929.db2.gz MYUFXQUPPDZBSD-KGLIPLIRSA-N 2 2 267.417 0.924 20 0 CCADLP C[N@H+]1CCC[C@@H](N[C@H]2CC[NH+](C3CCOCC3)C2)C1 ZINC001255475274 808382938 /nfs/dbraw/zinc/38/29/38/808382938.db2.gz MYUFXQUPPDZBSD-KGLIPLIRSA-N 2 2 267.417 0.924 20 0 CCADLP C[NH+]1CCC[C@@H](N[C@H]2CC[N@@H+](C3CCOCC3)C2)C1 ZINC001255475274 808382945 /nfs/dbraw/zinc/38/29/45/808382945.db2.gz MYUFXQUPPDZBSD-KGLIPLIRSA-N 2 2 267.417 0.924 20 0 CCADLP C[NH+]1CCC[C@@H](N[C@H]2CC[N@H+](C3CCOCC3)C2)C1 ZINC001255475274 808382953 /nfs/dbraw/zinc/38/29/53/808382953.db2.gz MYUFXQUPPDZBSD-KGLIPLIRSA-N 2 2 267.417 0.924 20 0 CCADLP Cc1cc(NCc2nnc3n2CCC[NH2+]C3)nc(C)[nH+]1 ZINC001163010716 802455499 /nfs/dbraw/zinc/45/54/99/802455499.db2.gz CECUYGNMKBUILD-UHFFFAOYSA-N 2 2 273.344 0.790 20 0 CCADLP COCCOc1cc(N[C@H]2COCCC23C[NH2+]C3)cc[nH+]1 ZINC001163078962 802475821 /nfs/dbraw/zinc/47/58/21/802475821.db2.gz IBOXIHKHHMHNHK-ZDUSSCGKSA-N 2 2 293.367 0.897 20 0 CCADLP c1cc2c([nH+]c1NC[C@]13C[NH2+]C[C@H]1COC3)CCOC2 ZINC001163152413 802495865 /nfs/dbraw/zinc/49/58/65/802495865.db2.gz AMYZCFGTHNNBBA-WFASDCNBSA-N 2 2 275.352 0.802 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCC[NH2+]C[C@@H]1CCOC1 ZINC001163599778 802575433 /nfs/dbraw/zinc/57/54/33/802575433.db2.gz WGXDCVWYNPXVHI-ZDUSSCGKSA-N 2 2 280.372 0.406 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH3+])CN1c1cc(N2CCOCC2)[nH+]cn1 ZINC001164460448 802744688 /nfs/dbraw/zinc/74/46/88/802744688.db2.gz CZQYFROJLWVUKA-OLZOCXBDSA-N 2 2 291.399 0.877 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH3+])CN1c1cc(N2CCOCC2)nc[nH+]1 ZINC001164460448 802744692 /nfs/dbraw/zinc/74/46/92/802744692.db2.gz CZQYFROJLWVUKA-OLZOCXBDSA-N 2 2 291.399 0.877 20 0 CCADLP CCN(C)c1cc[nH+]c(N2C[C@@H]3C[NH+](C)C[C@H]3C2)n1 ZINC001165145579 802787613 /nfs/dbraw/zinc/78/76/13/802787613.db2.gz RQKYRYQGFHZZFP-RYUDHWBXSA-N 2 2 261.373 0.931 20 0 CCADLP CCc1cc(N2CC(=O)NC3(CC[NH2+]CC3)C2)nc(C)[nH+]1 ZINC001165256275 802806556 /nfs/dbraw/zinc/80/65/56/802806556.db2.gz USRNLTXOLLVNBQ-UHFFFAOYSA-N 2 2 289.383 0.406 20 0 CCADLP COc1cc(-n2c(C)[nH+]c3c2CC[NH2+]CC3)ncn1 ZINC001165352063 802825865 /nfs/dbraw/zinc/82/58/65/802825865.db2.gz NCOUFEPSHXQWJM-UHFFFAOYSA-N 2 2 259.313 0.668 20 0 CCADLP COCC[NH2+]CC1(CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001165372899 802829551 /nfs/dbraw/zinc/82/95/51/802829551.db2.gz DHSRKQXYKXVGDU-UHFFFAOYSA-N 2 2 294.399 0.865 20 0 CCADLP COCC[NH2+]CC1(CCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001165372899 802829555 /nfs/dbraw/zinc/82/95/55/802829555.db2.gz DHSRKQXYKXVGDU-UHFFFAOYSA-N 2 2 294.399 0.865 20 0 CCADLP [NH3+][C@H]1[C@H]2CN(c3cc(N4CCCCC4)[nH+]cn3)C[C@@H]12 ZINC001165384316 802831580 /nfs/dbraw/zinc/83/15/80/802831580.db2.gz CBRRAVCAMGNGIS-GNXNZQSNSA-N 2 2 259.357 0.860 20 0 CCADLP [NH3+][C@H]1[C@H]2CN(c3cc(N4CCCCC4)nc[nH+]3)C[C@@H]12 ZINC001165384316 802831586 /nfs/dbraw/zinc/83/15/86/802831586.db2.gz CBRRAVCAMGNGIS-GNXNZQSNSA-N 2 2 259.357 0.860 20 0 CCADLP C[C@H](C(=O)N1CCC([NH+](C)C)CC1)n1cc[nH+]c1 ZINC000060021781 802931685 /nfs/dbraw/zinc/93/16/85/802931685.db2.gz FCYUUYVEAWZMLI-LLVKDONJSA-N 2 2 250.346 0.997 20 0 CCADLP COC(=O)C1([NH3+])CCN(c2cc(N(C)C)[nH+]c(C)n2)CC1 ZINC001166794379 802960966 /nfs/dbraw/zinc/96/09/66/802960966.db2.gz BSRJJDRKUHJTEG-UHFFFAOYSA-N 2 2 293.371 0.322 20 0 CCADLP COC(=O)C1([NH3+])CCN(c2cc(N(C)C)nc(C)[nH+]2)CC1 ZINC001166794379 802960968 /nfs/dbraw/zinc/96/09/68/802960968.db2.gz BSRJJDRKUHJTEG-UHFFFAOYSA-N 2 2 293.371 0.322 20 0 CCADLP CN(C[C@@H]1CC[NH2+]C1)c1ccc(Cn2cncn2)c[nH+]1 ZINC001166958204 802994388 /nfs/dbraw/zinc/99/43/88/802994388.db2.gz WGYAPQAMOKGMRI-CYBMUJFWSA-N 2 2 272.356 0.767 20 0 CCADLP [NH3+][C@H]1CCN(c2ncc3c(n2)C[NH2+]C3)CC1(F)F ZINC001166959651 802996026 /nfs/dbraw/zinc/99/60/26/802996026.db2.gz BDESDMRCXOAROP-VIFPVBQESA-N 2 2 255.272 0.253 20 0 CCADLP CN(CCC1OCCO1)c1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001167026473 803012968 /nfs/dbraw/zinc/01/29/68/803012968.db2.gz DYVBANGUJGOHDK-UHFFFAOYSA-N 2 2 292.383 0.690 20 0 CCADLP COCCOC[N@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001276463664 803083732 /nfs/dbraw/zinc/08/37/32/803083732.db2.gz ZAPPLUYDLZSHSL-KBPBESRZSA-N 2 2 271.405 0.317 20 0 CCADLP COCCOC[N@@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001276463664 803083730 /nfs/dbraw/zinc/08/37/30/803083730.db2.gz ZAPPLUYDLZSHSL-KBPBESRZSA-N 2 2 271.405 0.317 20 0 CCADLP CN(CC[NH+]1CCOCC1)C[C@H]([NH3+])Cc1ccccc1 ZINC001204849143 803106014 /nfs/dbraw/zinc/10/60/14/803106014.db2.gz YGBRQTMBWBTQED-MRXNPFEDSA-N 2 2 277.412 0.820 20 0 CCADLP [NH3+][C@]1(c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)CCOC1 ZINC001205227257 803128074 /nfs/dbraw/zinc/12/80/74/803128074.db2.gz ILOZNDATVMWNRP-CQSZACIVSA-N 2 2 287.323 0.352 20 0 CCADLP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2nc3ccccn3n2)CC1 ZINC001205240440 803130320 /nfs/dbraw/zinc/13/03/20/803130320.db2.gz KMSVOCXPVBKLQC-CQSZACIVSA-N 2 2 275.356 0.405 20 0 CCADLP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2nc3ccccn3n2)CC1 ZINC001205240440 803130325 /nfs/dbraw/zinc/13/03/25/803130325.db2.gz KMSVOCXPVBKLQC-CQSZACIVSA-N 2 2 275.356 0.405 20 0 CCADLP C[C@H]1CC[N@H+](Cc2cnc3n2CC[NH2+]C3)CC[C@@H]1C[NH3+] ZINC001205651507 803153357 /nfs/dbraw/zinc/15/33/57/803153357.db2.gz FXWGEPVXLACXTO-QWHCGFSZSA-N 3 2 277.416 0.793 20 0 CCADLP C[C@H]1CC[N@@H+](Cc2cnc3n2CC[NH2+]C3)CC[C@@H]1C[NH3+] ZINC001205651507 803153358 /nfs/dbraw/zinc/15/33/58/803153358.db2.gz FXWGEPVXLACXTO-QWHCGFSZSA-N 3 2 277.416 0.793 20 0 CCADLP COC(=O)c1ccc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)o1 ZINC001205682333 803154634 /nfs/dbraw/zinc/15/46/34/803154634.db2.gz RWKBLYRWBOHGJF-AWEZNQCLSA-N 2 2 282.340 0.742 20 0 CCADLP COC(=O)c1ccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)o1 ZINC001205682333 803154644 /nfs/dbraw/zinc/15/46/44/803154644.db2.gz RWKBLYRWBOHGJF-AWEZNQCLSA-N 2 2 282.340 0.742 20 0 CCADLP C[C@]1(C[NH3+])CCC[N@H+](Cc2cn3c(n2)C[NH2+]CC3)CC1 ZINC001206304974 803225708 /nfs/dbraw/zinc/22/57/08/803225708.db2.gz SJJDKKGPYPSFPB-HNNXBMFYSA-N 3 2 277.416 0.937 20 0 CCADLP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cn3c(n2)C[NH2+]CC3)CC1 ZINC001206304974 803225715 /nfs/dbraw/zinc/22/57/15/803225715.db2.gz SJJDKKGPYPSFPB-HNNXBMFYSA-N 3 2 277.416 0.937 20 0 CCADLP COC(=O)c1ccccc1C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206465217 803246140 /nfs/dbraw/zinc/24/61/40/803246140.db2.gz YDMHBUFWQVXPKM-WCQYABFASA-N 2 2 264.325 0.225 20 0 CCADLP COC(=O)c1ccccc1C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206465217 803246146 /nfs/dbraw/zinc/24/61/46/803246146.db2.gz YDMHBUFWQVXPKM-WCQYABFASA-N 2 2 264.325 0.225 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2[nH]nc3cc(Cl)ccc32)C[C@H]1O ZINC001206491074 803252846 /nfs/dbraw/zinc/25/28/46/803252846.db2.gz GGJNIICLPPFKRC-ISVAXAHUSA-N 2 2 280.759 0.968 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2[nH]nc3cc(Cl)ccc32)C[C@H]1O ZINC001206491074 803252853 /nfs/dbraw/zinc/25/28/53/803252853.db2.gz GGJNIICLPPFKRC-ISVAXAHUSA-N 2 2 280.759 0.968 20 0 CCADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206520349 803258429 /nfs/dbraw/zinc/25/84/29/803258429.db2.gz UTLWBGICKHHJIR-HOCLYGCPSA-N 3 2 286.379 0.932 20 0 CCADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206520349 803258435 /nfs/dbraw/zinc/25/84/35/803258435.db2.gz UTLWBGICKHHJIR-HOCLYGCPSA-N 3 2 286.379 0.932 20 0 CCADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@]3(CCNC3=O)C2)n1C ZINC001206791840 803287276 /nfs/dbraw/zinc/28/72/76/803287276.db2.gz BUCWXBUBWFDSJE-AWEZNQCLSA-N 2 2 262.357 0.831 20 0 CCADLP Cc1[nH+]cc(C[N@H+]2CCC[C@]3(CCNC3=O)C2)n1C ZINC001206791840 803287279 /nfs/dbraw/zinc/28/72/79/803287279.db2.gz BUCWXBUBWFDSJE-AWEZNQCLSA-N 2 2 262.357 0.831 20 0 CCADLP COC[C@@H](C)[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001206971897 803319669 /nfs/dbraw/zinc/31/96/69/803319669.db2.gz HNLWYLPCGPBPBS-CYBMUJFWSA-N 2 2 294.399 0.746 20 0 CCADLP CCOCC[NH2+][C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001208300238 803503515 /nfs/dbraw/zinc/50/35/15/803503515.db2.gz XMKQJKJAHHGGGT-AWEZNQCLSA-N 2 2 294.399 0.959 20 0 CCADLP CCOCC[NH2+][C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001208300238 803503516 /nfs/dbraw/zinc/50/35/16/803503516.db2.gz XMKQJKJAHHGGGT-AWEZNQCLSA-N 2 2 294.399 0.959 20 0 CCADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCN3C(=O)CC[C@@H]3C2)C1 ZINC001208612756 803529403 /nfs/dbraw/zinc/52/94/03/803529403.db2.gz NNUFNNIULUSUSS-CHWSQXEVSA-N 2 2 251.374 0.635 20 0 CCADLP C[N@H+]1CCC[C@@H](C[NH+]2CCN3C(=O)CC[C@@H]3C2)C1 ZINC001208612756 803529404 /nfs/dbraw/zinc/52/94/04/803529404.db2.gz NNUFNNIULUSUSS-CHWSQXEVSA-N 2 2 251.374 0.635 20 0 CCADLP C[NH+]1CCC[C@@H](C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)C1 ZINC001208612756 803529405 /nfs/dbraw/zinc/52/94/05/803529405.db2.gz NNUFNNIULUSUSS-CHWSQXEVSA-N 2 2 251.374 0.635 20 0 CCADLP C[NH+]1CCC[C@@H](C[N@H+]2CCN3C(=O)CC[C@@H]3C2)C1 ZINC001208612756 803529406 /nfs/dbraw/zinc/52/94/06/803529406.db2.gz NNUFNNIULUSUSS-CHWSQXEVSA-N 2 2 251.374 0.635 20 0 CCADLP COC(=O)[C@H]1COCCC12C[NH+](C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001208616878 803531091 /nfs/dbraw/zinc/53/10/91/803531091.db2.gz MTKFBLNUHQPSTR-ZIAGYGMSSA-N 2 2 296.411 0.840 20 0 CCADLP COC(=O)[C@H]1COCCC12C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001208616878 803531094 /nfs/dbraw/zinc/53/10/94/803531094.db2.gz MTKFBLNUHQPSTR-ZIAGYGMSSA-N 2 2 296.411 0.840 20 0 CCADLP CCO[C@@H]1C[C@H]2CN(CC[NH+]3CCOCC3)CC[N@@H+]2C1 ZINC001209290832 803586852 /nfs/dbraw/zinc/58/68/52/803586852.db2.gz WGECSBWSGISECV-LSDHHAIUSA-N 2 2 283.416 0.114 20 0 CCADLP CCO[C@@H]1C[C@H]2CN(CC[NH+]3CCOCC3)CC[N@H+]2C1 ZINC001209290832 803586855 /nfs/dbraw/zinc/58/68/55/803586855.db2.gz WGECSBWSGISECV-LSDHHAIUSA-N 2 2 283.416 0.114 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC([NH+]2CCC2)CC1 ZINC001209295694 803590643 /nfs/dbraw/zinc/59/06/43/803590643.db2.gz BZOBTMIPVWEDJU-UHFFFAOYSA-N 2 2 253.390 0.489 20 0 CCADLP CC1=NC2(CC[NH+](Cc3c[nH+]ccc3N)CC2)C(=O)N1C ZINC001209733385 803625161 /nfs/dbraw/zinc/62/51/61/803625161.db2.gz VHBNAOYSODHNFW-UHFFFAOYSA-N 2 2 287.367 0.719 20 0 CCADLP Nc1cc[nH+]cc1C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC001209732133 803625661 /nfs/dbraw/zinc/62/56/61/803625661.db2.gz XIEMVYXDDXBXQD-UHFFFAOYSA-N 2 2 284.367 0.996 20 0 CCADLP Nc1cc[nH+]cc1C[N@H+]1CCCN(c2ncccn2)CC1 ZINC001209732133 803625665 /nfs/dbraw/zinc/62/56/65/803625665.db2.gz XIEMVYXDDXBXQD-UHFFFAOYSA-N 2 2 284.367 0.996 20 0 CCADLP CNC(=O)NC1CC[NH+](Cc2c[nH+]ccc2N)CC1 ZINC001209732053 803625817 /nfs/dbraw/zinc/62/58/17/803625817.db2.gz GYXFMIQKDFXUFC-UHFFFAOYSA-N 2 2 263.345 0.388 20 0 CCADLP Nc1cc[nH+]cc1C[NH+]1CCC2(CNC(=O)O2)CC1 ZINC001209731166 803626077 /nfs/dbraw/zinc/62/60/77/803626077.db2.gz OWJMEMJWHDCODN-UHFFFAOYSA-N 2 2 262.313 0.569 20 0 CCADLP C[C@@]1(CO)CC[N@H+](Cc2c[nH+]ccc2N)C[C@H]1O ZINC001209730165 803626191 /nfs/dbraw/zinc/62/61/91/803626191.db2.gz UNJDYEHITRKTSC-OLZOCXBDSA-N 2 2 251.330 0.059 20 0 CCADLP C[C@@]1(CO)CC[N@@H+](Cc2c[nH+]ccc2N)C[C@H]1O 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SGJMTYPIHXASAT-ZYHUDNBSSA-N 2 2 295.387 0.266 20 0 CCADLP COCCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215680700 803823534 /nfs/dbraw/zinc/82/35/34/803823534.db2.gz JONJSBDVXXEHJB-TZMCWYRMSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCO)C1 ZINC001215855710 803827128 /nfs/dbraw/zinc/82/71/28/803827128.db2.gz WHNWILINFGEIMM-OUCADQQQSA-N 2 2 294.399 0.407 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCO)C1 ZINC001215855710 803827137 /nfs/dbraw/zinc/82/71/37/803827137.db2.gz WHNWILINFGEIMM-OUCADQQQSA-N 2 2 294.399 0.407 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCO)C1 ZINC001216565935 803845044 /nfs/dbraw/zinc/84/50/44/803845044.db2.gz RDDJKPWZUFAMFF-ZWNOBZJWSA-N 2 2 280.372 0.080 20 0 CCADLP CC(C)Cc1nnc(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)o1 ZINC001217696131 803901569 /nfs/dbraw/zinc/90/15/69/803901569.db2.gz BUIDFBFBAVUARI-JTQLQIEISA-N 2 2 292.343 0.177 20 0 CCADLP C[C@@H]1C[N@@H+](CCc2nnc([C@H]3[NH2+]CC[C@H]3O)o2)C[C@H](C)O1 ZINC001217751605 803910610 /nfs/dbraw/zinc/91/06/10/803910610.db2.gz LDOQJMJWXKPFCK-XZUYRWCXSA-N 2 2 296.371 0.117 20 0 CCADLP C[C@@H]1C[N@H+](CCc2nnc([C@H]3[NH2+]CC[C@H]3O)o2)C[C@H](C)O1 ZINC001217751605 803910619 /nfs/dbraw/zinc/91/06/19/803910619.db2.gz LDOQJMJWXKPFCK-XZUYRWCXSA-N 2 2 296.371 0.117 20 0 CCADLP FC1(F)C[NH2+]C[C@H]1Oc1ccc2c(n1)CC[NH2+]C2 ZINC001218235870 803943803 /nfs/dbraw/zinc/94/38/03/803943803.db2.gz NLIMHZOJJFCVSD-SNVBAGLBSA-N 2 2 255.268 0.713 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ncnc3sccc32)C1 ZINC001218515863 803979290 /nfs/dbraw/zinc/97/92/90/803979290.db2.gz YUOJSJBWCBKQNQ-SVRRBLITSA-N 2 2 263.326 0.319 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccnnc2)cc1 ZINC001218569087 804012866 /nfs/dbraw/zinc/01/28/66/804012866.db2.gz SLKQNOUBOGZMIK-GFCCVEGCSA-N 2 2 257.297 0.687 20 0 CCADLP Nc1cc(Cl)cnc1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218629529 804045515 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C[S@@](=O)CC[C@H]([NH3+])C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001218787234 804119292 /nfs/dbraw/zinc/11/92/92/804119292.db2.gz BHFHBVJCFBNPIM-APBUJDDRSA-N 2 2 280.353 0.369 20 0 CCADLP CCc1ncsc1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218800244 804124607 /nfs/dbraw/zinc/12/46/07/804124607.db2.gz DVQFCSFUEKCHJI-MRVPVSSYSA-N 2 2 265.342 0.937 20 0 CCADLP [NH3+]C[C@H](O)CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001218811839 804129423 /nfs/dbraw/zinc/12/94/23/804129423.db2.gz LFFYBSZFCRFOMJ-GFCCVEGCSA-N 2 2 260.297 0.521 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccccc1CO ZINC001218829706 804135805 /nfs/dbraw/zinc/13/58/05/804135805.db2.gz KAVWTRGQJWSQGP-LBPRGKRZSA-N 2 2 274.324 0.421 20 0 CCADLP O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001218847115 804139428 /nfs/dbraw/zinc/13/94/28/804139428.db2.gz BNKFQJLAKNLCHV-ZIAGYGMSSA-N 2 2 286.335 0.593 20 0 CCADLP Cc1noc(-c2ccc(NC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])cc2)n1 ZINC001218954586 804165693 /nfs/dbraw/zinc/16/56/93/804165693.db2.gz BNXQPOGUZSOPJV-RYUDHWBXSA-N 2 2 287.323 0.530 20 0 CCADLP NC(=S)c1cccc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)c1 ZINC001218967694 804167527 /nfs/dbraw/zinc/16/75/27/804167527.db2.gz DKARZRAATXFPQN-NSHDSACASA-N 2 2 289.364 0.552 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccccc1-c1cc[nH]n1 ZINC001219124435 804210462 /nfs/dbraw/zinc/21/04/62/804210462.db2.gz PFPFLHXPXYBEKA-QWRGUYRKSA-N 2 2 271.324 0.562 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccc3oc(=O)[nH]c3c2)C1 ZINC001219152455 804220739 /nfs/dbraw/zinc/22/07/39/804220739.db2.gz ZMMIAMPUIFFPEJ-MUWHJKNJSA-N 2 2 262.269 0.161 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1O ZINC001219551295 804341970 /nfs/dbraw/zinc/34/19/70/804341970.db2.gz WWLMFFOPUSZZRU-OLZOCXBDSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1O ZINC001219551295 804341978 /nfs/dbraw/zinc/34/19/78/804341978.db2.gz WWLMFFOPUSZZRU-OLZOCXBDSA-N 2 2 292.383 0.304 20 0 CCADLP Cc1cccnc1CCCNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219571697 804354728 /nfs/dbraw/zinc/35/47/28/804354728.db2.gz MIFKGKIYWPERND-BBRMVZONSA-N 2 2 288.395 0.390 20 0 CCADLP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)Cc2cc[nH+]c(N)c2)C1 ZINC001219650486 804392902 /nfs/dbraw/zinc/39/29/02/804392902.db2.gz ORNDRAIGCSBMPT-JQWIXIFHSA-N 2 2 262.357 0.568 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H](CNC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)C1 ZINC001219663764 804397823 /nfs/dbraw/zinc/39/78/23/804397823.db2.gz QWBDDLUIBFHDDP-YWPYICTPSA-N 3 2 290.411 0.621 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001219703166 804409128 /nfs/dbraw/zinc/40/91/28/804409128.db2.gz CRJLREQNVXYDPL-HNNXBMFYSA-N 3 2 299.378 0.242 20 0 CCADLP COC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001219816128 804427458 /nfs/dbraw/zinc/42/74/58/804427458.db2.gz ABXAWQLWOGPVDY-SCRDCRAPSA-N 2 2 291.351 0.096 20 0 CCADLP COc1ccc(O[C@H](C)CNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc1 ZINC001219945213 804455366 /nfs/dbraw/zinc/45/53/66/804455366.db2.gz DJLZTMSFQNTBHX-GYSYKLTISA-N 2 2 293.367 0.268 20 0 CCADLP O=C(NCCCc1ccncc1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219980760 804465399 /nfs/dbraw/zinc/46/53/99/804465399.db2.gz OTCQZSNNBGWSON-HIFRSBDPSA-N 2 2 274.368 0.082 20 0 CCADLP O=C(NCc1cnc2[nH]ccc2c1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220012962 804471930 /nfs/dbraw/zinc/47/19/30/804471930.db2.gz FDHBANBZYHQJOR-WFASDCNBSA-N 2 2 285.351 0.131 20 0 CCADLP CC(C)[C@](C)(NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)C(N)=O ZINC001220022306 804474350 /nfs/dbraw/zinc/47/43/50/804474350.db2.gz FMFUGMAUAFNOPL-WFASDCNBSA-N 2 2 292.383 0.275 20 0 CCADLP COC(=O)CCCCCNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220048265 804483812 /nfs/dbraw/zinc/48/38/12/804483812.db2.gz LUXFXECGFJTOAV-NSHDSACASA-N 2 2 282.344 0.129 20 0 CCADLP O=C(NCc1ccc2c(c1)CCO2)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220067341 804493620 /nfs/dbraw/zinc/49/36/20/804493620.db2.gz KEFIRWBHCJJNRJ-XJKSGUPXSA-N 2 2 287.363 0.189 20 0 CCADLP Cc1ccc2c(CCNC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])c[nH]c2c1 ZINC001220076235 804496299 /nfs/dbraw/zinc/49/62/99/804496299.db2.gz YQDVRGAMRGAMSP-KBPBESRZSA-N 2 2 286.379 0.682 20 0 CCADLP CC1(C)C[C@@H](NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CCO1 ZINC001220218995 804540786 /nfs/dbraw/zinc/54/07/86/804540786.db2.gz MLJIRKRDPOLMQL-OXIWPEFWSA-N 2 2 267.373 0.282 20 0 CCADLP O=C(N[C@@H]1CCCc2cccnc21)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220226478 804541966 /nfs/dbraw/zinc/54/19/66/804541966.db2.gz SYASKEUKPYSTAG-IOASZLSFSA-N 2 2 286.379 0.527 20 0 CCADLP COC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001220303983 804567957 /nfs/dbraw/zinc/56/79/57/804567957.db2.gz KXMRFFGBLMYJBY-AVGNSLFASA-N 2 2 297.399 0.161 20 0 CCADLP C[NH+](C)CCC(C)(C)NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220385795 804591547 /nfs/dbraw/zinc/59/15/47/804591547.db2.gz AKLYDJBHTIEBLS-GYSYKLTISA-N 3 2 268.405 0.055 20 0 CCADLP CO[C@@H](C)CNC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220392573 804594009 /nfs/dbraw/zinc/59/40/09/804594009.db2.gz HEOSXDYPPVNZPD-JOYOIKCWSA-N 2 2 251.330 0.410 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N[C@H](CO)C(F)(F)F)cc1 ZINC001220448129 804605577 /nfs/dbraw/zinc/60/55/77/804605577.db2.gz XVNYBXYVMSPUSK-VHSXEESVSA-N 2 2 291.273 0.298 20 0 CCADLP [NH3+]Cc1ncc(C(=O)Nc2cccnc2C[NH3+])s1 ZINC001220714212 804653654 /nfs/dbraw/zinc/65/36/54/804653654.db2.gz CKGWBMIJWFPCRZ-UHFFFAOYSA-N 2 2 263.326 0.708 20 0 CCADLP CC(C)C[C@@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)c1ccccn1 ZINC001220719037 804656939 /nfs/dbraw/zinc/65/69/39/804656939.db2.gz POPVIZRIQWHJME-BNOWGMLFSA-N 2 2 276.384 0.974 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC1CCC(O)CC1 ZINC001220756442 804660213 /nfs/dbraw/zinc/66/02/13/804660213.db2.gz DODLBZJKODDLKQ-GDKBPFBDSA-N 2 2 280.372 0.337 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220774979 804664515 /nfs/dbraw/zinc/66/45/15/804664515.db2.gz CLJLMIZGWUKDRV-YUTCNCBUSA-N 3 2 277.372 0.200 20 0 CCADLP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]1C[NH2+]CC(F)(F)C1 ZINC001220857464 804682640 /nfs/dbraw/zinc/68/26/40/804682640.db2.gz DFAGVSPUMBNKCL-IUCAKERBSA-N 2 2 263.332 0.721 20 0 CCADLP COC(=O)[C@@H]1C[C@H]1CNC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220881707 804688858 /nfs/dbraw/zinc/68/88/58/804688858.db2.gz NNVHRFQGGUUNFX-XQQFMLRXSA-N 2 2 291.351 0.184 20 0 CCADLP O=C(NCc1cncn1C1CCC1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001221023236 804721862 /nfs/dbraw/zinc/72/18/62/804721862.db2.gz FOPPPVJSJKXRPZ-LEWSCRJBSA-N 2 2 289.383 0.174 20 0 CCADLP O=C(NC[C@@H]1CCc2ccccc21)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001221100508 804729769 /nfs/dbraw/zinc/72/97/69/804729769.db2.gz KXZROPIKLXNBKZ-DARAHFNDSA-N 2 2 285.391 0.783 20 0 CCADLP CC1(CNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CCC(F)(F)CC1 ZINC001221109784 804732364 /nfs/dbraw/zinc/73/23/64/804732364.db2.gz PCVJPKSMQQJKIP-UWVGGRQHSA-N 2 2 275.343 0.865 20 0 CCADLP CC(C)(C)[NH+]1CC(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001221193778 804743349 /nfs/dbraw/zinc/74/33/49/804743349.db2.gz FURZFBRIPWHHRX-CYBMUJFWSA-N 3 2 294.443 0.460 20 0 CCADLP O=C(N[C@@H]1CCCc2cnccc21)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221292041 804767783 /nfs/dbraw/zinc/76/77/83/804767783.db2.gz CYXCLPNSAMZCQM-BJJXKVORSA-N 2 2 286.379 0.527 20 0 CCADLP CC(C)[C@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)c1cccnc1 ZINC001221382780 804797566 /nfs/dbraw/zinc/79/75/66/804797566.db2.gz PBPCGAHHPMSPHR-AGIUHOORSA-N 2 2 262.357 0.584 20 0 CCADLP COc1cccc([C@@H](C[NH3+])NC(=O)C2(F)C[NH2+]C2)c1 ZINC001221406856 804808203 /nfs/dbraw/zinc/80/82/03/804808203.db2.gz VLDHNZUVXHIYIZ-LLVKDONJSA-N 2 2 267.304 0.123 20 0 CCADLP [NH3+]Cc1ncc(-c2ccc(C[NH+]3CC(O)C3)cc2)cn1 ZINC001243639774 807042169 /nfs/dbraw/zinc/04/21/69/807042169.db2.gz DFWBHEOTEFUHBK-UHFFFAOYSA-N 2 2 270.336 0.779 20 0 CCADLP Nc1cn2ccc(-c3cnc(N4CC[NH2+]CC4)nc3)cc2[nH+]1 ZINC001241897229 806984203 /nfs/dbraw/zinc/98/42/03/806984203.db2.gz CVOTUQGANPJGRH-UHFFFAOYSA-N 2 2 295.350 0.783 20 0 CCADLP CCCOC[C@H](O)CNc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001245957838 807104336 /nfs/dbraw/zinc/10/43/36/807104336.db2.gz WGJVSJFRUJYNQX-CQSZACIVSA-N 2 2 294.399 0.691 20 0 CCADLP CCCC[C@@H](O)C[NH2+][C@@H](CCCC[NH3+])C(=O)OC ZINC001245979940 807105767 /nfs/dbraw/zinc/10/57/67/807105767.db2.gz YKAGLWAASNONQQ-NEPJUHHUSA-N 2 2 260.378 0.798 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1CCC[NH2+]C1)COCc1ccccc1 ZINC001246012268 807116139 /nfs/dbraw/zinc/11/61/39/807116139.db2.gz XORCOOBZOIVODL-CABCVRRESA-N 2 2 264.369 0.906 20 0 CCADLP O[C@H](COCC(F)(F)C(F)F)C[N@@H+]1CCC[NH2+]CC1 ZINC001246013512 807116385 /nfs/dbraw/zinc/11/63/85/807116385.db2.gz HBDZNYAICNGZDX-VIFPVBQESA-N 2 2 288.285 0.560 20 0 CCADLP O[C@H](COCC(F)(F)C(F)F)C[N@H+]1CCC[NH2+]CC1 ZINC001246013512 807116389 /nfs/dbraw/zinc/11/63/89/807116389.db2.gz HBDZNYAICNGZDX-VIFPVBQESA-N 2 2 288.285 0.560 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246021721 807120195 /nfs/dbraw/zinc/12/01/95/807120195.db2.gz OVFPUJQWTKTBBP-OCCSQVGLSA-N 3 2 257.422 0.939 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246021721 807120200 /nfs/dbraw/zinc/12/02/00/807120200.db2.gz OVFPUJQWTKTBBP-OCCSQVGLSA-N 3 2 257.422 0.939 20 0 CCADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](C[C@H](O)COCc1ccco1)C2 ZINC001246038431 807129646 /nfs/dbraw/zinc/12/96/46/807129646.db2.gz YTCLTFGZYZFFLZ-SGMGOOAPSA-N 2 2 266.341 0.580 20 0 CCADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](C[C@H](O)COCc1ccco1)C2 ZINC001246038431 807129649 /nfs/dbraw/zinc/12/96/49/807129649.db2.gz YTCLTFGZYZFFLZ-SGMGOOAPSA-N 2 2 266.341 0.580 20 0 CCADLP COc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc1 ZINC001246045437 807132390 /nfs/dbraw/zinc/13/23/90/807132390.db2.gz KHFHVKVECPRWHC-ZENOOKHLSA-N 2 2 292.379 0.858 20 0 CCADLP COc1ccc(OC[C@H](O)C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc1 ZINC001246045437 807132396 /nfs/dbraw/zinc/13/23/96/807132396.db2.gz KHFHVKVECPRWHC-ZENOOKHLSA-N 2 2 292.379 0.858 20 0 CCADLP COc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246048639 807133202 /nfs/dbraw/zinc/13/32/02/807133202.db2.gz ZDJCATAWSDLVBG-IOASZLSFSA-N 2 2 292.379 0.858 20 0 CCADLP COc1ccccc1OC[C@H](O)C[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001246048639 807133208 /nfs/dbraw/zinc/13/32/08/807133208.db2.gz ZDJCATAWSDLVBG-IOASZLSFSA-N 2 2 292.379 0.858 20 0 CCADLP COc1ccc(OC[C@@H](O)C[N@H+](C)C[C@H](C)[NH3+])cc1 ZINC001246059177 807136150 /nfs/dbraw/zinc/13/61/50/807136150.db2.gz MREQMTRUJCZNOW-RYUDHWBXSA-N 2 2 268.357 0.714 20 0 CCADLP COc1ccc(OC[C@@H](O)C[N@@H+](C)C[C@H](C)[NH3+])cc1 ZINC001246059177 807136158 /nfs/dbraw/zinc/13/61/58/807136158.db2.gz MREQMTRUJCZNOW-RYUDHWBXSA-N 2 2 268.357 0.714 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H](N[C@@H]2CCCC[C@@H]2[NH3+])C[NH2+]1 ZINC001246101903 807153761 /nfs/dbraw/zinc/15/37/61/807153761.db2.gz MVRJHMZABYBHGL-CIQGVGRVSA-N 2 2 269.389 0.530 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]C[C@@H]2[C@H](N[C@H]3CC[C@H](C)[NH2+]C3)CC[C@@H]21 ZINC001246148134 807167530 /nfs/dbraw/zinc/16/75/30/807167530.db2.gz DVNKIBXKYZRYII-UQGHGMQMSA-N 2 2 295.427 0.646 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]2)C[C@@H]1C(=O)OC ZINC001246186151 807180223 /nfs/dbraw/zinc/18/02/23/807180223.db2.gz FPZNOBYJROWAFD-WISYIIOYSA-N 2 2 284.356 0.069 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@]2(C)CCC[NH2+]C2)CN1 ZINC001246191306 807181578 /nfs/dbraw/zinc/18/15/78/807181578.db2.gz VOKKLHNFHYBPCH-NTZNESFSSA-N 2 2 255.362 0.012 20 0 CCADLP COc1cccc2c1CC[C@H]([NH2+][C@H]1C[NH2+]C[C@@H]1CO)C2 ZINC001246296765 807212701 /nfs/dbraw/zinc/21/27/01/807212701.db2.gz CKJVYDPMBOGVOU-IPYPFGDCSA-N 2 2 276.380 0.722 20 0 CCADLP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1C[NH2+]C[C@H]1CO ZINC001246299919 807214143 /nfs/dbraw/zinc/21/41/43/807214143.db2.gz OEMBLRACEUEQBD-SCDSUCTJSA-N 2 2 252.333 0.927 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001246312539 807218600 /nfs/dbraw/zinc/21/86/00/807218600.db2.gz XZLOGHZDMKIOJN-YWPYICTPSA-N 2 2 282.334 0.992 20 0 CCADLP CC[C@@]1(C(=O)OC)C[C@H](N[C@H]2C[NH2+]CC[C@@H]2C)C[NH2+]1 ZINC001246324008 807220468 /nfs/dbraw/zinc/22/04/68/807220468.db2.gz DNZZNYFRHRUPDX-MNXVOIDGSA-N 2 2 269.389 0.258 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N2C[C@@H](C[NH3+])c3ccccc32)C[NH2+]1 ZINC001246322118 807221665 /nfs/dbraw/zinc/22/16/65/807221665.db2.gz FKMRPPOPEABWCH-MDZLAQPJSA-N 2 2 275.352 0.452 20 0 CCADLP C[C@@H]1CC[C@H](N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)C[NH2+]1 ZINC001246326505 807222446 /nfs/dbraw/zinc/22/24/46/807222446.db2.gz PMRCFPHKOFQGIS-XBFCOCLRSA-N 3 2 252.406 0.140 20 0 CCADLP CC[C@@]1(C(=O)OC)C[C@H](N[C@H]2CCC[NH2+][C@@H]2C)C[NH2+]1 ZINC001246332987 807225569 /nfs/dbraw/zinc/22/55/69/807225569.db2.gz TYCWZYTWTCXSPB-UHXUPSOCSA-N 2 2 269.389 0.400 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(c3cnccn3)C2)C[NH2+]1 ZINC001246369111 807236292 /nfs/dbraw/zinc/23/62/92/807236292.db2.gz PYSWOEYVZLTYSJ-FRRDWIJNSA-N 2 2 261.373 0.785 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@@H](NC[C@H]2C[NH2+]CC(C)(C)O2)C[NH2+]1 ZINC001246414904 807247537 /nfs/dbraw/zinc/24/75/37/807247537.db2.gz UZFBTZOKDPOHDP-LALPHHSUSA-N 2 2 299.415 0.027 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)CCN1 ZINC001246464442 807257566 /nfs/dbraw/zinc/25/75/66/807257566.db2.gz QLACUOWNTWGDFS-RHYQMDGZSA-N 2 2 255.362 0.010 20 0 CCADLP CS(=O)(=O)N1CCC([N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CC1 ZINC001246593062 807313143 /nfs/dbraw/zinc/31/31/43/807313143.db2.gz WFRQQRBLXDPHFE-VXGBXAGGSA-N 2 2 293.408 0.172 20 0 CCADLP CS(=O)(=O)N1CCC([N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CC1 ZINC001246593062 807313152 /nfs/dbraw/zinc/31/31/52/807313152.db2.gz WFRQQRBLXDPHFE-VXGBXAGGSA-N 2 2 293.408 0.172 20 0 CCADLP COC(=O)[C@@H]1CC[C@H](N2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)C1 ZINC001246618634 807325505 /nfs/dbraw/zinc/32/55/05/807325505.db2.gz NCNLNAPYCSRNQR-RFGFWPKPSA-N 2 2 281.400 0.354 20 0 CCADLP C[C@@H](CC(=O)N1CCOCC1)[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246651671 807348131 /nfs/dbraw/zinc/34/81/31/807348131.db2.gz XSNFRNZHPCGOBY-GOEBONIOSA-N 2 2 295.427 0.842 20 0 CCADLP C[C@@H](CC(=O)N1CCOCC1)[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246651671 807348140 /nfs/dbraw/zinc/34/81/40/807348140.db2.gz XSNFRNZHPCGOBY-GOEBONIOSA-N 2 2 295.427 0.842 20 0 CCADLP C1[C@@H]2C[NH2+]C[C@@]3(CC[N@@H+]([C@@H]4CCC[NH2+]C4)C[C@H]13)O2 ZINC001246687158 807357170 /nfs/dbraw/zinc/35/71/70/807357170.db2.gz VLTUKFNMWOMYNL-REWJHTLYSA-N 3 2 251.374 0.191 20 0 CCADLP C1[C@@H]2C[NH2+]C[C@@]3(CC[N@H+]([C@@H]4CCC[NH2+]C4)C[C@H]13)O2 ZINC001246687158 807357179 /nfs/dbraw/zinc/35/71/79/807357179.db2.gz VLTUKFNMWOMYNL-REWJHTLYSA-N 3 2 251.374 0.191 20 0 CCADLP CNC(=O)[C@@H]1CCO[C@@H]2CC[N@@H+]([C@H]3CC[C@H](C)[NH2+]C3)C[C@H]21 ZINC001246704953 807360902 /nfs/dbraw/zinc/36/09/02/807360902.db2.gz NJIBZRDEQXEYKW-SBJFKYEJSA-N 2 2 295.427 0.600 20 0 CCADLP CNC(=O)[C@@H]1CCO[C@@H]2CC[N@H+]([C@H]3CC[C@H](C)[NH2+]C3)C[C@H]21 ZINC001246704953 807360910 /nfs/dbraw/zinc/36/09/10/807360910.db2.gz NJIBZRDEQXEYKW-SBJFKYEJSA-N 2 2 295.427 0.600 20 0 CCADLP C(O[C@@H]1C[N@@H+]([C@@H]2CCC[NH2+]C2)[C@@H]2COC[C@H]12)C1CC1 ZINC001246778648 807376820 /nfs/dbraw/zinc/37/68/20/807376820.db2.gz ZZIXMXPMLHJJDW-LXTVHRRPSA-N 2 2 266.385 0.864 20 0 CCADLP C(O[C@@H]1C[N@H+]([C@@H]2CCC[NH2+]C2)[C@@H]2COC[C@H]12)C1CC1 ZINC001246778648 807376829 /nfs/dbraw/zinc/37/68/29/807376829.db2.gz ZZIXMXPMLHJJDW-LXTVHRRPSA-N 2 2 266.385 0.864 20 0 CCADLP CC1([NH+]2CCN([C@H]3CCC[NH2+]C3)CC2)CC[NH2+]CC1 ZINC001246814507 807390380 /nfs/dbraw/zinc/39/03/80/807390380.db2.gz VXDFSFWGVPTSAW-AWEZNQCLSA-N 3 2 266.433 0.498 20 0 CCADLP CCOC(=O)[C@@H]1C[N@@H+](C2CC[NH2+]CC2)CCS1 ZINC001246917985 807428260 /nfs/dbraw/zinc/42/82/60/807428260.db2.gz PTBKVHAJEASPJL-NSHDSACASA-N 2 2 258.387 0.719 20 0 CCADLP CCOC(=O)[C@@H]1C[N@H+](C2CC[NH2+]CC2)CCS1 ZINC001246917985 807428262 /nfs/dbraw/zinc/42/82/62/807428262.db2.gz PTBKVHAJEASPJL-NSHDSACASA-N 2 2 258.387 0.719 20 0 CCADLP CC(C)(C)OC(=O)C[NH+]1CCC(N2C[C@@H]3C[NH2+]C[C@H]32)CC1 ZINC001246923385 807428377 /nfs/dbraw/zinc/42/83/77/807428377.db2.gz YIZHZEBJHCBXMQ-GXTWGEPZSA-N 2 2 295.427 0.696 20 0 CCADLP CC(C)(C)OC(=O)CN1CCC([N@@H+]2C[C@@H]3C[NH2+]C[C@H]32)CC1 ZINC001246923385 807428381 /nfs/dbraw/zinc/42/83/81/807428381.db2.gz YIZHZEBJHCBXMQ-GXTWGEPZSA-N 2 2 295.427 0.696 20 0 CCADLP CC(C)(C)OC(=O)CN1CCC([N@H+]2C[C@@H]3C[NH2+]C[C@H]32)CC1 ZINC001246923385 807428386 /nfs/dbraw/zinc/42/83/86/807428386.db2.gz YIZHZEBJHCBXMQ-GXTWGEPZSA-N 2 2 295.427 0.696 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+]([C@H]2CCOC(C)(C)C2)C[C@@H]1[NH3+] ZINC001246929988 807432185 /nfs/dbraw/zinc/43/21/85/807432185.db2.gz JCFUAVWNZNPBPE-AXFHLTTASA-N 2 2 256.346 0.376 20 0 CCADLP COC(=O)[C@@H]1C[N@H+]([C@H]2CCOC(C)(C)C2)C[C@@H]1[NH3+] ZINC001246929988 807432189 /nfs/dbraw/zinc/43/21/89/807432189.db2.gz JCFUAVWNZNPBPE-AXFHLTTASA-N 2 2 256.346 0.376 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)CN1 ZINC001246973221 807442840 /nfs/dbraw/zinc/44/28/40/807442840.db2.gz NOAGQZWXTHUTNT-UBHSHLNASA-N 2 2 281.400 0.354 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)CN1 ZINC001246973221 807442844 /nfs/dbraw/zinc/44/28/44/807442844.db2.gz NOAGQZWXTHUTNT-UBHSHLNASA-N 2 2 281.400 0.354 20 0 CCADLP C[C@@H]1C[C@@H](N2CC([N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)CC[NH2+]1 ZINC001246985537 807447554 /nfs/dbraw/zinc/44/75/54/807447554.db2.gz CQMNVFRRGZNNNF-MQYQWHSLSA-N 2 2 267.417 0.920 20 0 CCADLP C[C@@H]1C[C@@H](N2CC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)CC[NH2+]1 ZINC001246985537 807447557 /nfs/dbraw/zinc/44/75/57/807447557.db2.gz CQMNVFRRGZNNNF-MQYQWHSLSA-N 2 2 267.417 0.920 20 0 CCADLP CCOC(=O)[C@@H]1C[N@@H+]([C@H]2CCCC[NH2+]C2)CCC12C[NH2+]C2 ZINC001247009139 807452478 /nfs/dbraw/zinc/45/24/78/807452478.db2.gz ONADYNBEAGBVNY-KBPBESRZSA-N 3 2 295.427 0.603 20 0 CCADLP CCOC(=O)[C@@H]1C[N@H+]([C@H]2CCCC[NH2+]C2)CCC12C[NH2+]C2 ZINC001247009139 807452483 /nfs/dbraw/zinc/45/24/83/807452483.db2.gz ONADYNBEAGBVNY-KBPBESRZSA-N 3 2 295.427 0.603 20 0 CCADLP C1[NH2+]CC12C[C@H]([N@@H+]1CC[C@H]3[NH2+]CCC[C@H]3C1)CS2 ZINC001247016484 807454621 /nfs/dbraw/zinc/45/46/21/807454621.db2.gz WCTGJLVIOBCERX-RWMBFGLXSA-N 3 2 267.442 0.908 20 0 CCADLP C1[NH2+]CC12C[C@H]([N@H+]1CC[C@H]3[NH2+]CCC[C@H]3C1)CS2 ZINC001247016484 807454624 /nfs/dbraw/zinc/45/46/24/807454624.db2.gz WCTGJLVIOBCERX-RWMBFGLXSA-N 3 2 267.442 0.908 20 0 CCADLP COC[C@@H]([NH3+])c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001248185272 807508427 /nfs/dbraw/zinc/50/84/27/807508427.db2.gz BOZLUDWAWZNFOE-SECBINFHSA-N 2 2 275.312 0.424 20 0 CCADLP Cn1c(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cccc1=O ZINC001248808938 807527227 /nfs/dbraw/zinc/52/72/27/807527227.db2.gz ATZCCHDPSYJLAL-HNNXBMFYSA-N 2 2 261.369 0.913 20 0 CCADLP Cn1c(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cccc1=O ZINC001248808938 807527231 /nfs/dbraw/zinc/52/72/31/807527231.db2.gz ATZCCHDPSYJLAL-HNNXBMFYSA-N 2 2 261.369 0.913 20 0 CCADLP Cn1c(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cccc1=O ZINC001248808938 807527235 /nfs/dbraw/zinc/52/72/35/807527235.db2.gz ATZCCHDPSYJLAL-HNNXBMFYSA-N 2 2 261.369 0.913 20 0 CCADLP Cn1c(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cccc1=O ZINC001248808938 807527238 /nfs/dbraw/zinc/52/72/38/807527238.db2.gz ATZCCHDPSYJLAL-HNNXBMFYSA-N 2 2 261.369 0.913 20 0 CCADLP [NH3+]C[C@H]([NH3+])Cc1nc(-c2cccc3ccnn32)no1 ZINC001249127982 807544358 /nfs/dbraw/zinc/54/43/58/807544358.db2.gz FPTTZQYPKNGIDM-MRVPVSSYSA-N 2 2 258.285 0.213 20 0 CCADLP COc1ccc(F)cc1-c1noc(C[C@@H]([NH3+])C[NH3+])n1 ZINC001249128446 807544796 /nfs/dbraw/zinc/54/47/96/807544796.db2.gz CEBNUXUAAWCKGI-MRVPVSSYSA-N 2 2 266.276 0.713 20 0 CCADLP COc1nccc(C)c1-c1noc(C[C@@H]([NH3+])C[NH3+])n1 ZINC001249128687 807545015 /nfs/dbraw/zinc/54/50/15/807545015.db2.gz NBJHYSPTAAIJNL-MRVPVSSYSA-N 2 2 263.301 0.277 20 0 CCADLP [NH3+]C[C@H]([NH3+])Cc1nc(-c2cccc(C3OCCO3)c2)no1 ZINC001249130182 807545056 /nfs/dbraw/zinc/54/50/56/807545056.db2.gz WRIOAVDTYIJRSC-LLVKDONJSA-N 2 2 290.323 0.611 20 0 CCADLP COc1c(F)cc(-c2noc(C[C@@H]([NH3+])C[NH3+])n2)cc1F ZINC001249130207 807546235 /nfs/dbraw/zinc/54/62/35/807546235.db2.gz YAPRIDNYRNLUAX-SSDOTTSWSA-N 2 2 284.266 0.852 20 0 CCADLP OC1C[NH+](Cc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC001250276470 807587467 /nfs/dbraw/zinc/58/74/67/807587467.db2.gz GBYPAZZUJHRYDG-UHFFFAOYSA-N 2 2 276.380 0.738 20 0 CCADLP C[NH+](C)CCCN1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC001250973184 807627728 /nfs/dbraw/zinc/62/77/28/807627728.db2.gz UFDDSVLHXUPJHP-NSHDSACASA-N 2 2 283.338 0.479 20 0 CCADLP [NH2+]=C(NC[C@H](O)C[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC001251036022 807650887 /nfs/dbraw/zinc/65/08/87/807650887.db2.gz VZCJKWJRTCRNLE-NSHDSACASA-N 2 2 299.321 0.573 20 0 CCADLP OC[C@@H](O)C[NH+]1C[C@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001252057388 807781663 /nfs/dbraw/zinc/78/16/63/807781663.db2.gz IRGUCIWADBQTEM-AVGNSLFASA-N 2 2 282.409 0.465 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])NC[C@@H](O)c2ccc(F)cc2)CC1 ZINC001252861720 807978226 /nfs/dbraw/zinc/97/82/26/807978226.db2.gz IGOLKLLHKATGMY-CYBMUJFWSA-N 2 2 280.347 0.631 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@@H](O)c1ccco1 ZINC001253175395 808014009 /nfs/dbraw/zinc/01/40/09/808014009.db2.gz JUEIXJQPRIZGEV-VXGBXAGGSA-N 2 2 256.346 0.605 20 0 CCADLP CC[NH+](CC)C[C@@H](O)CN1CC([N@@H+]2CC[C@H](F)C2)C1 ZINC001253187634 808023770 /nfs/dbraw/zinc/02/37/70/808023770.db2.gz GBAXGCDKLCOVLW-GXTWGEPZSA-N 2 2 273.396 0.417 20 0 CCADLP CC[NH+](CC)C[C@@H](O)CN1CC([N@H+]2CC[C@H](F)C2)C1 ZINC001253187634 808023779 /nfs/dbraw/zinc/02/37/79/808023779.db2.gz GBAXGCDKLCOVLW-GXTWGEPZSA-N 2 2 273.396 0.417 20 0 CCADLP CCCCC[C@H]([NH2+]C[C@@H](O)C[NH+](CC)CC)C(=O)NC ZINC001253215357 808036739 /nfs/dbraw/zinc/03/67/39/808036739.db2.gz WXCFIRWZYJAVAX-KGLIPLIRSA-N 2 2 287.448 0.974 20 0 CCADLP C[NH+]1CCC(CO)([NH2+]C[C@@H](O)COC(C)(C)C)CC1 ZINC001253487033 808075146 /nfs/dbraw/zinc/07/51/46/808075146.db2.gz ZBAMKYKZHRWKMN-GFCCVEGCSA-N 2 2 274.405 0.209 20 0 CCADLP CCCCC[C@H](O)C[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001253563255 808080531 /nfs/dbraw/zinc/08/05/31/808080531.db2.gz JLVYTAKODPDRGM-ZDUSSCGKSA-N 2 2 258.406 0.974 20 0 CCADLP O=S1(=O)CC[C@@H]([NH2+]CCOc2cc[nH+]cc2)C1 ZINC001254328030 808211763 /nfs/dbraw/zinc/21/17/63/808211763.db2.gz MMZCPFGAYGYXBE-SNVBAGLBSA-N 2 2 256.327 0.237 20 0 CCADLP CCOC(=O)C[NH+]1CCC(n2cnc3c2C[NH2+]CC3)CC1 ZINC001254404398 808235304 /nfs/dbraw/zinc/23/53/04/808235304.db2.gz BDFNKMLDIPUOAR-UHFFFAOYSA-N 2 2 292.383 0.729 20 0 CCADLP C[N@@H+]1CCC[C@@H]([NH+]2CCN3C(=O)COC[C@@H]3C2)CC1 ZINC001254528557 808257155 /nfs/dbraw/zinc/25/71/55/808257155.db2.gz HEWBPEFDZUHTOV-OLZOCXBDSA-N 2 2 267.373 0.014 20 0 CCADLP C[N@H+]1CCC[C@@H]([NH+]2CCN3C(=O)COC[C@@H]3C2)CC1 ZINC001254528557 808257159 /nfs/dbraw/zinc/25/71/59/808257159.db2.gz HEWBPEFDZUHTOV-OLZOCXBDSA-N 2 2 267.373 0.014 20 0 CCADLP C[NH+]1CCC[C@@H]([N@@H+]2CCN3C(=O)COC[C@@H]3C2)CC1 ZINC001254528557 808257162 /nfs/dbraw/zinc/25/71/62/808257162.db2.gz HEWBPEFDZUHTOV-OLZOCXBDSA-N 2 2 267.373 0.014 20 0 CCADLP C[NH+]1CCC[C@@H]([N@H+]2CCN3C(=O)COC[C@@H]3C2)CC1 ZINC001254528557 808257167 /nfs/dbraw/zinc/25/71/67/808257167.db2.gz HEWBPEFDZUHTOV-OLZOCXBDSA-N 2 2 267.373 0.014 20 0 CCADLP CN1CCO[C@H]2C[N@@H+]([C@H]3CC4CC[NH+](CC4)C3)C[C@H]21 ZINC001254856262 808288399 /nfs/dbraw/zinc/28/83/99/808288399.db2.gz FDAGJRSFEJKMGW-ZNMIVQPWSA-N 2 2 265.401 0.486 20 0 CCADLP CN1CCO[C@H]2C[N@H+]([C@H]3CC4CC[NH+](CC4)C3)C[C@H]21 ZINC001254856262 808288405 /nfs/dbraw/zinc/28/84/05/808288405.db2.gz FDAGJRSFEJKMGW-ZNMIVQPWSA-N 2 2 265.401 0.486 20 0 CCADLP COC(=O)CO[C@H]1CC[N@@H+]([C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254865871 808292471 /nfs/dbraw/zinc/29/24/71/808292471.db2.gz IRCJBGBDGSHSMI-KGLIPLIRSA-N 2 2 282.384 0.735 20 0 CCADLP COC(=O)CO[C@H]1CC[N@H+]([C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254865871 808292475 /nfs/dbraw/zinc/29/24/75/808292475.db2.gz IRCJBGBDGSHSMI-KGLIPLIRSA-N 2 2 282.384 0.735 20 0 CCADLP O=C1C[C@H]2C[C@H]([NH2+]CCC[NH+](CCO)CCO)C[C@H]2C1 ZINC001254921601 808296012 /nfs/dbraw/zinc/29/60/12/808296012.db2.gz DISBFSLEWQDLMN-WDNDVIMCSA-N 2 2 284.400 0.010 20 0 CCADLP C[NH+]1CC(C(=O)N[C@H](C[NH+]2CCOCC2)C(C)(C)C)C1 ZINC001142604723 815192500 /nfs/dbraw/zinc/19/25/00/815192500.db2.gz GQEJCDVUSIBBEV-CYBMUJFWSA-N 2 2 283.416 0.411 20 0 CCADLP C[N@@H+]1CC[C@@H](N2CCc3onc(Cn4cc[nH+]c4)c3C2)C1 ZINC001255430060 808361717 /nfs/dbraw/zinc/36/17/17/808361717.db2.gz VVHKBKGFXBNTJX-GFCCVEGCSA-N 2 2 287.367 0.982 20 0 CCADLP C[N@H+]1CC[C@@H](N2CCc3onc(Cn4cc[nH+]c4)c3C2)C1 ZINC001255430060 808361724 /nfs/dbraw/zinc/36/17/24/808361724.db2.gz VVHKBKGFXBNTJX-GFCCVEGCSA-N 2 2 287.367 0.982 20 0 CCADLP C[N@@H+]1CC[C@H](N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC001255430662 808362522 /nfs/dbraw/zinc/36/25/22/808362522.db2.gz FNYRKKNXDBPNQS-HNNXBMFYSA-N 2 2 260.385 0.903 20 0 CCADLP C[N@H+]1CC[C@H](N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC001255430662 808362530 /nfs/dbraw/zinc/36/25/30/808362530.db2.gz FNYRKKNXDBPNQS-HNNXBMFYSA-N 2 2 260.385 0.903 20 0 CCADLP COC[C@H](C)[N@@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001255574572 808407542 /nfs/dbraw/zinc/40/75/42/808407542.db2.gz SZBBLGVXYDBXGQ-LBPRGKRZSA-N 2 2 294.399 0.546 20 0 CCADLP COC[C@H](C)[N@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001255574572 808407544 /nfs/dbraw/zinc/40/75/44/808407544.db2.gz SZBBLGVXYDBXGQ-LBPRGKRZSA-N 2 2 294.399 0.546 20 0 CCADLP NC(=O)[C@H](CO)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001256599479 808538887 /nfs/dbraw/zinc/53/88/87/808538887.db2.gz SQOOHRJHNRRQFU-AWEZNQCLSA-N 2 2 277.368 0.087 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](CCC[NH3+])C(=O)OC)C1 ZINC001257035781 808581909 /nfs/dbraw/zinc/58/19/09/808581909.db2.gz DVJCDPQRMTVCCF-GRYCIOLGSA-N 2 2 286.372 0.588 20 0 CCADLP C[C@@H](C(=O)N1CCC(OCCC[NH3+])CC1)n1cc[nH+]c1 ZINC001261501104 808999980 /nfs/dbraw/zinc/99/99/80/808999980.db2.gz PVLLESHORBQSPR-LBPRGKRZSA-N 2 2 280.372 0.801 20 0 CCADLP C[NH2+]C[C@H]1CCCCN1C(=O)NCCn1cc[nH+]c1 ZINC001262090710 809188031 /nfs/dbraw/zinc/18/80/31/809188031.db2.gz AHUWONXHFJTZTK-GFCCVEGCSA-N 2 2 265.361 0.667 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2c[nH+]cn2C)C1 ZINC001262098087 809190106 /nfs/dbraw/zinc/19/01/06/809190106.db2.gz UQJQOXVBSDUZDZ-QWRGUYRKSA-N 2 2 265.361 0.689 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001262652310 809385755 /nfs/dbraw/zinc/38/57/55/809385755.db2.gz CAADQBCSJLQTTP-LBPRGKRZSA-N 2 2 250.346 0.943 20 0 CCADLP C[N@H+]1CCCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001262652310 809385761 /nfs/dbraw/zinc/38/57/61/809385761.db2.gz CAADQBCSJLQTTP-LBPRGKRZSA-N 2 2 250.346 0.943 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001262652310 809385769 /nfs/dbraw/zinc/38/57/69/809385769.db2.gz CAADQBCSJLQTTP-LBPRGKRZSA-N 2 2 250.346 0.943 20 0 CCADLP C[N@H+]1CCCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001262652310 809385774 /nfs/dbraw/zinc/38/57/74/809385774.db2.gz CAADQBCSJLQTTP-LBPRGKRZSA-N 2 2 250.346 0.943 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](CC[NH3+])C(F)F ZINC001263109972 809450051 /nfs/dbraw/zinc/45/00/51/809450051.db2.gz LDCNBMLPRLBCHH-VXNVDRBHSA-N 2 2 260.288 0.687 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](CC[NH3+])C(F)F ZINC001263109972 809450054 /nfs/dbraw/zinc/45/00/54/809450054.db2.gz LDCNBMLPRLBCHH-VXNVDRBHSA-N 2 2 260.288 0.687 20 0 CCADLP COCC[NH2+][C@H]1C[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001264437648 809657263 /nfs/dbraw/zinc/65/72/63/809657263.db2.gz GGJINTSLNPGFIM-JOCQHMNTSA-N 2 2 294.399 0.484 20 0 CCADLP COC[C@@H](C)[N@H+](C)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001265041412 809698915 /nfs/dbraw/zinc/69/89/15/809698915.db2.gz XYJXKXPQIRAPOH-LLVKDONJSA-N 2 2 268.361 0.425 20 0 CCADLP COC[C@@H](C)[N@@H+](C)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001265041412 809698918 /nfs/dbraw/zinc/69/89/18/809698918.db2.gz XYJXKXPQIRAPOH-LLVKDONJSA-N 2 2 268.361 0.425 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001265453962 809782649 /nfs/dbraw/zinc/78/26/49/809782649.db2.gz BIPKHGVIUMAAFB-NSHDSACASA-N 2 2 280.372 0.524 20 0 CCADLP 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C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1[NH2+]CCCO ZINC001268145154 812301447 /nfs/dbraw/zinc/30/14/47/812301447.db2.gz ZVAQQEBTZBOPEL-OCCSQVGLSA-N 2 2 294.399 0.172 20 0 CCADLP C[C@@H]([NH3+])c1ncc(C(=O)N2CC[NH2+]C3(CC3)C2)s1 ZINC001161553143 812304330 /nfs/dbraw/zinc/30/43/30/812304330.db2.gz YSVNAVRJXKACLM-MRVPVSSYSA-N 2 2 266.370 0.741 20 0 CCADLP CCOCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001268288761 812449115 /nfs/dbraw/zinc/44/91/15/812449115.db2.gz OMOQDUYAAQDPCL-OCCSQVGLSA-N 2 2 294.399 0.863 20 0 CCADLP CCN(CC[NH2+]CC1CCOCC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001268486637 812667086 /nfs/dbraw/zinc/66/70/86/812667086.db2.gz GWUJJJHTUXANHI-UHFFFAOYSA-N 2 2 294.399 0.817 20 0 CCADLP COc1ccc(F)cc1-c1noc([C@H]2C[NH2+]C[C@@H]2[NH3+])n1 ZINC001211755570 812670152 /nfs/dbraw/zinc/67/01/52/812670152.db2.gz STWMMBXYRHVRNW-UWVGGRQHSA-N 2 2 278.287 0.898 20 0 CCADLP C[C@H](C[NH2+]CC[C@H](C)F)NC(=O)Cn1cc[nH+]c1 ZINC001268675602 812996776 /nfs/dbraw/zinc/99/67/76/812996776.db2.gz CBVZPNSTUKBYOX-WDEREUQCSA-N 2 2 256.325 0.726 20 0 CCADLP C[C@@H](O)CCC[NH2+]C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001268705673 813024729 /nfs/dbraw/zinc/02/47/29/813024729.db2.gz LDPANSJTTUKKEP-WDEREUQCSA-N 2 2 268.361 0.208 20 0 CCADLP O=C(NC[C@@H]1CC[N@@H+](CCF)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001028643389 813107148 /nfs/dbraw/zinc/10/71/48/813107148.db2.gz OKUQWGUANYTZPM-QWHCGFSZSA-N 2 2 294.374 0.853 20 0 CCADLP O=C(NC[C@@H]1CC[N@H+](CCF)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001028643389 813107154 /nfs/dbraw/zinc/10/71/54/813107154.db2.gz OKUQWGUANYTZPM-QWHCGFSZSA-N 2 2 294.374 0.853 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NC[C@@H]2CC[N@H+](CCF)C2)no1 ZINC001028645557 813108946 /nfs/dbraw/zinc/10/89/46/813108946.db2.gz HVUZOFDATWTNKU-NSHDSACASA-N 2 2 298.362 0.757 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](CCF)C2)no1 ZINC001028645557 813108949 /nfs/dbraw/zinc/10/89/49/813108949.db2.gz HVUZOFDATWTNKU-NSHDSACASA-N 2 2 298.362 0.757 20 0 CCADLP Cc1nn(C)cc1C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126437242 813587999 /nfs/dbraw/zinc/58/79/99/813587999.db2.gz XLKYTIVEZITIGN-UHFFFAOYSA-N 2 2 290.371 0.290 20 0 CCADLP C[N@@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH+]c[nH]1)CC2 ZINC001270180204 813666670 /nfs/dbraw/zinc/66/66/70/813666670.db2.gz IABFPBJVAFCSPM-UHFFFAOYSA-N 2 2 262.357 0.897 20 0 CCADLP C[N@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH+]c[nH]1)CC2 ZINC001270180204 813666674 /nfs/dbraw/zinc/66/66/74/813666674.db2.gz IABFPBJVAFCSPM-UHFFFAOYSA-N 2 2 262.357 0.897 20 0 CCADLP C[C@H](C(=O)N1CC2(CN(CC[NH+](C)C)C2)C1)n1cc[nH+]c1 ZINC001270395798 813746158 /nfs/dbraw/zinc/74/61/58/813746158.db2.gz FCUWHCTYPOYXNS-CYBMUJFWSA-N 2 2 291.399 0.150 20 0 CCADLP C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001270446726 813766836 /nfs/dbraw/zinc/76/68/36/813766836.db2.gz JLHDWDRHNFZZQV-LLVKDONJSA-N 2 2 274.368 0.994 20 0 CCADLP C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001270446726 813766838 /nfs/dbraw/zinc/76/68/38/813766838.db2.gz JLHDWDRHNFZZQV-LLVKDONJSA-N 2 2 274.368 0.994 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)C[NH2+]CCF ZINC001270579741 813823030 /nfs/dbraw/zinc/82/30/30/813823030.db2.gz WHBXKTIKJSACJP-SECBINFHSA-N 2 2 256.325 0.572 20 0 CCADLP C[C@@]1(NC(=O)CCn2cc[nH+]c2)CC[N@H+](CCF)C1 ZINC001270615742 813839831 /nfs/dbraw/zinc/83/98/31/813839831.db2.gz PRZSUIZQPAORSY-CYBMUJFWSA-N 2 2 268.336 0.823 20 0 CCADLP C[C@@]1(NC(=O)CCn2cc[nH+]c2)CC[N@@H+](CCF)C1 ZINC001270615742 813839837 /nfs/dbraw/zinc/83/98/37/813839837.db2.gz PRZSUIZQPAORSY-CYBMUJFWSA-N 2 2 268.336 0.823 20 0 CCADLP C[C@H](C[NH2+]CC[C@@H]1CCOC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001271227062 814343286 /nfs/dbraw/zinc/34/32/86/814343286.db2.gz LYSGYPFHFJREAX-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)OCCC[NH+]1CCOCC1 ZINC001224870286 815622853 /nfs/dbraw/zinc/62/28/53/815622853.db2.gz OSNZMVMICDCZMQ-AWEZNQCLSA-N 2 2 272.389 0.446 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CCC[C@@H]2CCOC2)C1 ZINC001030162028 815852923 /nfs/dbraw/zinc/85/29/23/815852923.db2.gz RHTWPKUSXJPVQH-UKRRQHHQSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CCC[C@@H]2CCOC2)C1 ZINC001030162028 815852929 /nfs/dbraw/zinc/85/29/29/815852929.db2.gz RHTWPKUSXJPVQH-UKRRQHHQSA-N 2 2 295.427 0.698 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001030400598 816014134 /nfs/dbraw/zinc/01/41/34/816014134.db2.gz BGKDNYBTIQAIPE-YPMHNXCESA-N 2 2 269.389 0.042 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001030400598 816014142 /nfs/dbraw/zinc/01/41/42/816014142.db2.gz BGKDNYBTIQAIPE-YPMHNXCESA-N 2 2 269.389 0.042 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001030433094 816036979 /nfs/dbraw/zinc/03/69/79/816036979.db2.gz VFPSEYXSZOSQGY-UONOGXRCSA-N 2 2 297.443 0.800 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001030433094 816036984 /nfs/dbraw/zinc/03/69/84/816036984.db2.gz VFPSEYXSZOSQGY-UONOGXRCSA-N 2 2 297.443 0.800 20 0 CCADLP CCC(CC)C[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001030515307 816080027 /nfs/dbraw/zinc/08/00/27/816080027.db2.gz RNQCCFWKMOUSTD-IUODEOHRSA-N 2 2 297.443 0.942 20 0 CCADLP CCC(CC)C[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001030515307 816080031 /nfs/dbraw/zinc/08/00/31/816080031.db2.gz RNQCCFWKMOUSTD-IUODEOHRSA-N 2 2 297.443 0.942 20 0 CCADLP CCC[NH+]1CC(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001030608678 816144953 /nfs/dbraw/zinc/14/49/53/816144953.db2.gz SRNLGICLISCSPU-UHFFFAOYSA-N 2 2 251.374 0.825 20 0 CCADLP C[NH+](C)CCc1ccccc1C(=O)NC1C[NH+](CCO)C1 ZINC001030741427 816259300 /nfs/dbraw/zinc/25/93/00/816259300.db2.gz BURNMLLWLVNZLW-UHFFFAOYSA-N 2 2 291.395 0.197 20 0 CCADLP C[NH+](C)C1(C(=O)N2CCC[C@@]3(C2)C[N@H+](C)CCO3)CC1 ZINC001272307749 816294157 /nfs/dbraw/zinc/29/41/57/816294157.db2.gz BXXHTOILUOTTJO-AWEZNQCLSA-N 2 2 281.400 0.404 20 0 CCADLP C[NH+](C)C1(C(=O)N2CCC[C@@]3(C2)C[N@@H+](C)CCO3)CC1 ZINC001272307749 816294163 /nfs/dbraw/zinc/29/41/63/816294163.db2.gz BXXHTOILUOTTJO-AWEZNQCLSA-N 2 2 281.400 0.404 20 0 CCADLP CCC[N@@H+]1CCC[C@H](C(=O)NC2C[NH+](C[C@@H](C)OC)C2)C1 ZINC001030825682 816320543 /nfs/dbraw/zinc/32/05/43/816320543.db2.gz ONCJLTZNAMKOPV-KGLIPLIRSA-N 2 2 297.443 0.944 20 0 CCADLP CCC[N@H+]1CCC[C@H](C(=O)NC2C[NH+](C[C@@H](C)OC)C2)C1 ZINC001030825682 816320550 /nfs/dbraw/zinc/32/05/50/816320550.db2.gz ONCJLTZNAMKOPV-KGLIPLIRSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001121939467 816492030 /nfs/dbraw/zinc/49/20/30/816492030.db2.gz KBOOEBYEXQXKAK-MDZLAQPJSA-N 2 2 262.357 0.799 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001121939467 816492037 /nfs/dbraw/zinc/49/20/37/816492037.db2.gz KBOOEBYEXQXKAK-MDZLAQPJSA-N 2 2 262.357 0.799 20 0 CCADLP C[C@H]1CCC[N@@H+]1CC(=O)NC1C[NH+](CCCF)C1 ZINC001030955687 816497815 /nfs/dbraw/zinc/49/78/15/816497815.db2.gz JVMVRPARWOWPNV-NSHDSACASA-N 2 2 257.353 0.631 20 0 CCADLP C[C@H]1CCC[N@H+]1CC(=O)NC1C[NH+](CCCF)C1 ZINC001030955687 816497820 /nfs/dbraw/zinc/49/78/20/816497820.db2.gz JVMVRPARWOWPNV-NSHDSACASA-N 2 2 257.353 0.631 20 0 CCADLP C[C@@H]1CCC[N@@H+]1CC(=O)NC1C[NH+](C[C@@H]2CCCCO2)C1 ZINC001030956198 816499990 /nfs/dbraw/zinc/49/99/90/816499990.db2.gz VCZJOSFCRFTCNN-HIFRSBDPSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@@H]1CCC[N@H+]1CC(=O)NC1C[NH+](C[C@@H]2CCCCO2)C1 ZINC001030956198 816499995 /nfs/dbraw/zinc/49/99/95/816499995.db2.gz VCZJOSFCRFTCNN-HIFRSBDPSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+](C)CCN1CC[C@]2(CCC[N@@H+]2Cc2cc[nH]n2)C1=O ZINC001272542401 816565453 /nfs/dbraw/zinc/56/54/53/816565453.db2.gz WOTWSUNDMDHFOI-OAHLLOKOSA-N 2 2 291.399 0.538 20 0 CCADLP C[NH+](C)CCN1CC[C@]2(CCC[N@H+]2Cc2cc[nH]n2)C1=O ZINC001272542401 816565455 /nfs/dbraw/zinc/56/54/55/816565455.db2.gz WOTWSUNDMDHFOI-OAHLLOKOSA-N 2 2 291.399 0.538 20 0 CCADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001031044900 816603342 /nfs/dbraw/zinc/60/33/42/816603342.db2.gz GLDNUROSEBAKCP-CQSZACIVSA-N 2 2 283.416 0.432 20 0 CCADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001031044900 816603346 /nfs/dbraw/zinc/60/33/46/816603346.db2.gz GLDNUROSEBAKCP-CQSZACIVSA-N 2 2 283.416 0.432 20 0 CCADLP Cn1c[nH+]cc1CN1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001038095663 816617065 /nfs/dbraw/zinc/61/70/65/816617065.db2.gz MKUCWGKDQFGDGB-GXTWGEPZSA-N 2 2 291.399 0.205 20 0 CCADLP Cn1c[nH+]cc1CN1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001038095663 816617070 /nfs/dbraw/zinc/61/70/70/816617070.db2.gz MKUCWGKDQFGDGB-GXTWGEPZSA-N 2 2 291.399 0.205 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001106223785 816663365 /nfs/dbraw/zinc/66/33/65/816663365.db2.gz MSZFKWYFVILCKP-JHJVBQTASA-N 2 2 294.399 0.407 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001106223785 816663374 /nfs/dbraw/zinc/66/33/74/816663374.db2.gz MSZFKWYFVILCKP-JHJVBQTASA-N 2 2 294.399 0.407 20 0 CCADLP COc1ccccc1C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235051597 816795883 /nfs/dbraw/zinc/79/58/83/816795883.db2.gz KFZSAWCJZLMVNW-HNNXBMFYSA-N 2 2 261.369 0.833 20 0 CCADLP COc1ccccc1C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235051597 816795887 /nfs/dbraw/zinc/79/58/87/816795887.db2.gz KFZSAWCJZLMVNW-HNNXBMFYSA-N 2 2 261.369 0.833 20 0 CCADLP CO[C@H](C)C[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001168499055 816889139 /nfs/dbraw/zinc/88/91/39/816889139.db2.gz GEEKAUCLKPLLIQ-CYBMUJFWSA-N 2 2 294.399 0.794 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC1C[NH+](CC[C@@H]2CCOC2)C1 ZINC001031256763 816906236 /nfs/dbraw/zinc/90/62/36/816906236.db2.gz DMXCYICTQRJQFE-GFCCVEGCSA-N 2 2 292.383 0.190 20 0 CCADLP CC1(C)[NH2+]C[C@@H](CN2CC([N@@H+]3CCOC(C)(C)C3)C2)O1 ZINC001235928173 816954417 /nfs/dbraw/zinc/95/44/17/816954417.db2.gz RKAJZMRPPYXXMA-ZDUSSCGKSA-N 2 2 283.416 0.506 20 0 CCADLP CC1(C)[NH2+]C[C@@H](CN2CC([N@H+]3CCOC(C)(C)C3)C2)O1 ZINC001235928173 816954420 /nfs/dbraw/zinc/95/44/20/816954420.db2.gz RKAJZMRPPYXXMA-ZDUSSCGKSA-N 2 2 283.416 0.506 20 0 CCADLP O=C(NCC1C[NH+](CC2CC2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001031776200 817356499 /nfs/dbraw/zinc/35/64/99/817356499.db2.gz QLVUVRWINPKULJ-AWEZNQCLSA-N 2 2 288.395 0.904 20 0 CCADLP CC(C)[NH+]1CC(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001031779117 817359681 /nfs/dbraw/zinc/35/96/81/817359681.db2.gz KHDWMOSOMFUWLC-CYBMUJFWSA-N 2 2 276.384 0.902 20 0 CCADLP O=C(NCC1C[NH+](CC2CC2)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001031783891 817363957 /nfs/dbraw/zinc/36/39/57/817363957.db2.gz IOBPCZCEMQDGSK-AWEZNQCLSA-N 2 2 288.395 0.904 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NCC2C[NH+](CC3CC3)C2)no1 ZINC001031799940 817374277 /nfs/dbraw/zinc/37/42/77/817374277.db2.gz MKJILRFBPHQZLW-UHFFFAOYSA-N 2 2 292.383 0.808 20 0 CCADLP CC(C)[NH+]1CC(CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001031799435 817374922 /nfs/dbraw/zinc/37/49/22/817374922.db2.gz FPNDNTMSVKSTMJ-UHFFFAOYSA-N 2 2 280.372 0.806 20 0 CCADLP CO[C@H](C)C[NH+]1CC(N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001044082240 818235637 /nfs/dbraw/zinc/23/56/37/818235637.db2.gz AAHLQCJMORDQGT-CQSZACIVSA-N 2 2 297.443 0.896 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccnc3nc[nH]c32)CC1 ZINC001168736313 818545054 /nfs/dbraw/zinc/54/50/54/818545054.db2.gz FOSJBQBUOROPMH-UHFFFAOYSA-N 2 2 259.317 0.552 20 0 CCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H]1CC[N@H+](CCO)C1 ZINC001033429231 818774483 /nfs/dbraw/zinc/77/44/83/818774483.db2.gz FLKDDWFPEJONCF-YNEHKIRRSA-N 2 2 292.383 0.049 20 0 CCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H]1CC[N@@H+](CCO)C1 ZINC001033429231 818774487 /nfs/dbraw/zinc/77/44/87/818774487.db2.gz FLKDDWFPEJONCF-YNEHKIRRSA-N 2 2 292.383 0.049 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033626152 818859254 /nfs/dbraw/zinc/85/92/54/818859254.db2.gz WVERDIABBXMLQS-DGCLKSJQSA-N 2 2 294.399 0.828 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033626152 818859259 /nfs/dbraw/zinc/85/92/59/818859259.db2.gz WVERDIABBXMLQS-DGCLKSJQSA-N 2 2 294.399 0.828 20 0 CCADLP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](CCF)C1 ZINC001033657534 818870763 /nfs/dbraw/zinc/87/07/63/818870763.db2.gz LTTWXMXBUKHUEA-GFCCVEGCSA-N 2 2 257.353 0.584 20 0 CCADLP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](CCF)C1 ZINC001033657534 818870770 /nfs/dbraw/zinc/87/07/70/818870770.db2.gz LTTWXMXBUKHUEA-GFCCVEGCSA-N 2 2 257.353 0.584 20 0 CCADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001033787113 818935881 /nfs/dbraw/zinc/93/58/81/818935881.db2.gz CICJAXIOAAKKCI-CABCVRRESA-N 2 2 297.443 0.896 20 0 CCADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001033787113 818935886 /nfs/dbraw/zinc/93/58/86/818935886.db2.gz CICJAXIOAAKKCI-CABCVRRESA-N 2 2 297.443 0.896 20 0 CCADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001033787113 818935890 /nfs/dbraw/zinc/93/58/90/818935890.db2.gz CICJAXIOAAKKCI-CABCVRRESA-N 2 2 297.443 0.896 20 0 CCADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001033787113 818935895 /nfs/dbraw/zinc/93/58/95/818935895.db2.gz CICJAXIOAAKKCI-CABCVRRESA-N 2 2 297.443 0.896 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001128786315 819012920 /nfs/dbraw/zinc/01/29/20/819012920.db2.gz VCPUHOHPZWVOFQ-GFCCVEGCSA-N 2 2 281.360 0.150 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001128786315 819012924 /nfs/dbraw/zinc/01/29/24/819012924.db2.gz VCPUHOHPZWVOFQ-GFCCVEGCSA-N 2 2 281.360 0.150 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034485626 819221205 /nfs/dbraw/zinc/22/12/05/819221205.db2.gz RYBHIPPOYPWJLF-CHWSQXEVSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@@H](O)C[N@H+]1CCCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034485626 819221209 /nfs/dbraw/zinc/22/12/09/819221209.db2.gz RYBHIPPOYPWJLF-CHWSQXEVSA-N 2 2 294.399 0.314 20 0 CCADLP COCC[N@@H+]1CCCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001034502087 819222931 /nfs/dbraw/zinc/22/29/31/819222931.db2.gz CPBYNLFVUZFXOB-ZDUSSCGKSA-N 2 2 294.399 0.878 20 0 CCADLP COCC[N@H+]1CCCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001034502087 819222938 /nfs/dbraw/zinc/22/29/38/819222938.db2.gz CPBYNLFVUZFXOB-ZDUSSCGKSA-N 2 2 294.399 0.878 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC2(C[NH+](CCCO)C2)CC1 ZINC001035824779 819630939 /nfs/dbraw/zinc/63/09/39/819630939.db2.gz BJDDYFJZQIQJBU-UHFFFAOYSA-N 2 2 292.383 0.259 20 0 CCADLP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001080421103 820563392 /nfs/dbraw/zinc/56/33/92/820563392.db2.gz STWGEMZZDSVLHS-NTZNESFSSA-N 2 2 292.383 0.258 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001080421103 820563399 /nfs/dbraw/zinc/56/33/99/820563399.db2.gz STWGEMZZDSVLHS-NTZNESFSSA-N 2 2 292.383 0.258 20 0 CCADLP CO[C@@H]1C[N@H+](CC2CC2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001082327211 820939536 /nfs/dbraw/zinc/93/95/36/820939536.db2.gz ITDOPMKIGARHAC-ZIAGYGMSSA-N 2 2 292.383 0.188 20 0 CCADLP CO[C@@H]1C[N@@H+](CC2CC2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001082327211 820939540 /nfs/dbraw/zinc/93/95/40/820939540.db2.gz ITDOPMKIGARHAC-ZIAGYGMSSA-N 2 2 292.383 0.188 20 0 CCADLP CO[C@@H]1C[N@H+](CCC2CC2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082394861 820956479 /nfs/dbraw/zinc/95/64/79/820956479.db2.gz JTCGPVVPSBUKCV-ZIAGYGMSSA-N 2 2 292.383 0.499 20 0 CCADLP CO[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082394861 820956486 /nfs/dbraw/zinc/95/64/86/820956486.db2.gz JTCGPVVPSBUKCV-ZIAGYGMSSA-N 2 2 292.383 0.499 20 0 CCADLP C[C@@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCO)C1)n1cc[nH+]c1 ZINC001082771458 821032653 /nfs/dbraw/zinc/03/26/53/821032653.db2.gz BCHTVKRGCYLKAR-FRRDWIJNSA-N 2 2 280.372 0.263 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](C)O)C1 ZINC001082884417 821053725 /nfs/dbraw/zinc/05/37/25/821053725.db2.gz RZXZBCUOCISIMK-GIPNMCIBSA-N 2 2 280.372 0.078 20 0 CCADLP COCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001084395527 821284698 /nfs/dbraw/zinc/28/46/98/821284698.db2.gz YLWIVXWPXSQMSM-TZMCWYRMSA-N 2 2 292.383 0.521 20 0 CCADLP COCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001084395527 821284703 /nfs/dbraw/zinc/28/47/03/821284703.db2.gz YLWIVXWPXSQMSM-TZMCWYRMSA-N 2 2 292.383 0.521 20 0 CCADLP CC(C)C[N@@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001099811250 821338325 /nfs/dbraw/zinc/33/83/25/821338325.db2.gz XKBYJYPNYDXQPN-CHWSQXEVSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)C[N@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001099811250 821338334 /nfs/dbraw/zinc/33/83/34/821338334.db2.gz XKBYJYPNYDXQPN-CHWSQXEVSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001085345845 821664656 /nfs/dbraw/zinc/66/46/56/821664656.db2.gz TVYAZHGMIQPXMK-CYZMBNFOSA-N 2 2 280.372 0.350 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001085394247 821677862 /nfs/dbraw/zinc/67/78/62/821677862.db2.gz BOMUHBPYAGQXCV-MRVWCRGKSA-N 2 2 294.399 0.360 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001086392621 822236309 /nfs/dbraw/zinc/23/63/09/822236309.db2.gz YFONYRGTVDOJIJ-SYLRKERUSA-N 2 2 292.383 0.378 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001086392621 822236314 /nfs/dbraw/zinc/23/63/14/822236314.db2.gz YFONYRGTVDOJIJ-SYLRKERUSA-N 2 2 292.383 0.378 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NC[C@H]2C[C@H]([NH2+]CCF)C2)no1 ZINC001086412371 822243361 /nfs/dbraw/zinc/24/33/61/822243361.db2.gz WWHHHGUCYGGJKF-XYPYZODXSA-N 2 2 298.362 0.804 20 0 CCADLP CCN(CC[NH2+]Cc1cnon1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001273434399 822288554 /nfs/dbraw/zinc/28/85/54/822288554.db2.gz OEYRLLLFIFSLIJ-ZDUSSCGKSA-N 2 2 297.403 0.594 20 0 CCADLP C[C@H]1CCCCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001157781339 837430391 /nfs/dbraw/zinc/43/03/91/837430391.db2.gz OEQUCSHEVPENSM-SFTQSGBHSA-N 2 2 251.374 0.857 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)[C@H](C2CC2)[NH+](C)C)o1 ZINC001129436059 837509251 /nfs/dbraw/zinc/50/92/51/837509251.db2.gz LUWDNIAVEUCIMK-AWEZNQCLSA-N 2 2 294.399 0.783 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)C[N@@H+](C)C2CCC2)s1 ZINC001129526563 837520812 /nfs/dbraw/zinc/52/08/12/837520812.db2.gz LBOIFBIDSSJNBT-UHFFFAOYSA-N 2 2 297.428 0.537 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)C[N@H+](C)C2CCC2)s1 ZINC001129526563 837520816 /nfs/dbraw/zinc/52/08/16/837520816.db2.gz LBOIFBIDSSJNBT-UHFFFAOYSA-N 2 2 297.428 0.537 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]Cc1csnn1 ZINC001129856700 837569419 /nfs/dbraw/zinc/56/94/19/837569419.db2.gz WCVQWSFGBDYTJU-GFCCVEGCSA-N 2 2 297.428 0.618 20 0 CCADLP C[N@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]Cc1csnn1 ZINC001129856700 837569425 /nfs/dbraw/zinc/56/94/25/837569425.db2.gz WCVQWSFGBDYTJU-GFCCVEGCSA-N 2 2 297.428 0.618 20 0 CCADLP C[C@]1(F)CCCCN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001157915008 837694924 /nfs/dbraw/zinc/69/49/24/837694924.db2.gz ONQMDJGFNWSVNT-UBHSHLNASA-N 2 2 269.364 0.679 20 0 CCADLP CC[C@H](F)C[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130404900 837786169 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COC[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001130490741 837810012 /nfs/dbraw/zinc/81/00/12/837810012.db2.gz HJYSFSJDQCUTBC-CMPLNLGQSA-N 2 2 294.399 0.564 20 0 CCADLP COC[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001130490741 837810020 /nfs/dbraw/zinc/81/00/20/837810020.db2.gz HJYSFSJDQCUTBC-CMPLNLGQSA-N 2 2 294.399 0.564 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001183582377 844046056 /nfs/dbraw/zinc/04/60/56/844046056.db2.gz WUAJHZOSOWVHHY-CYBMUJFWSA-N 2 2 293.367 0.206 20 0 CCADLP Cc1c(C)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nnc1Cl ZINC001169067031 836122671 /nfs/dbraw/zinc/12/26/71/836122671.db2.gz LTYUPBUJKNRHHO-SECBINFHSA-N 2 2 281.747 0.795 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2ncsc2n1 ZINC001169071206 836123685 /nfs/dbraw/zinc/12/36/85/836123685.db2.gz HMIMJOHNINEDEK-MRVPVSSYSA-N 2 2 275.337 0.739 20 0 CCADLP COC(=O)c1ccc(C)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169067822 836123783 /nfs/dbraw/zinc/12/37/83/836123783.db2.gz 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ZINC001169100128 836132336 /nfs/dbraw/zinc/13/23/36/836132336.db2.gz HBRHFOLPRXZVBN-UBSAEIQESA-N 2 2 273.384 0.880 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(CC[NH3+])CC1)C2 ZINC001169091189 836136998 /nfs/dbraw/zinc/13/69/98/836136998.db2.gz PAUXRRGODCDVSF-WDNDVIMCSA-N 3 2 252.406 0.188 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(CC[NH3+])CC1)C2 ZINC001169091189 836137003 /nfs/dbraw/zinc/13/70/03/836137003.db2.gz PAUXRRGODCDVSF-WDNDVIMCSA-N 3 2 252.406 0.188 20 0 CCADLP C[C@@H]1CC[C@H](C[NH2+]CCCNC(=O)Cc2[nH]cc[nH+]2)O1 ZINC001169203741 836159224 /nfs/dbraw/zinc/15/92/24/836159224.db2.gz AZPXRECFHWLASP-VXGBXAGGSA-N 2 2 280.372 0.616 20 0 CCADLP CCOC(=O)[C@H]1CC[C@H](n2c[nH+]c(C)c2CC[NH3+])CO1 ZINC001169332617 836226686 /nfs/dbraw/zinc/22/66/86/836226686.db2.gz ZSRJECAQQORUBV-WCQYABFASA-N 2 2 281.356 0.976 20 0 CCADLP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CC2C[NH+](C)C2)CO1 ZINC001169338354 836229961 /nfs/dbraw/zinc/22/99/61/836229961.db2.gz HFNUEVOPVSAQEW-VXGBXAGGSA-N 2 2 256.346 0.248 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNc1cc[nH+]c(N2CCOCC2)c1 ZINC001169655017 836410196 /nfs/dbraw/zinc/41/01/96/836410196.db2.gz YPMZGYVHDNOZAY-CQSZACIVSA-N 2 2 292.383 0.661 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNc1cc[nH+]c(N2CCOCC2)c1 ZINC001169655017 836410200 /nfs/dbraw/zinc/41/02/00/836410200.db2.gz YPMZGYVHDNOZAY-CQSZACIVSA-N 2 2 292.383 0.661 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)C1([NH+](C)C)CCC1)c1ncccn1 ZINC001129358515 836513147 /nfs/dbraw/zinc/51/31/47/836513147.db2.gz TVIHLPSCSFSDCK-GFCCVEGCSA-N 2 2 291.399 0.728 20 0 CCADLP COCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001109580884 836700431 /nfs/dbraw/zinc/70/04/31/836700431.db2.gz ZJGNQZFJHSEMER-RDBSUJKOSA-N 2 2 292.383 0.641 20 0 CCADLP COCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001109580884 836700436 /nfs/dbraw/zinc/70/04/36/836700436.db2.gz ZJGNQZFJHSEMER-RDBSUJKOSA-N 2 2 292.383 0.641 20 0 CCADLP CC[NH+](CC)C[C@H](F)C(=O)N1CC[NH+](CCOC)CC1 ZINC001112908870 836961277 /nfs/dbraw/zinc/96/12/77/836961277.db2.gz HNHYJSQLNVRLNS-ZDUSSCGKSA-N 2 2 289.395 0.457 20 0 CCADLP CC[C@@H]1C[C@@H](NC(=[NH2+])N2CC[NH+](C)CC2)CCO1 ZINC001170176551 837248593 /nfs/dbraw/zinc/24/85/93/837248593.db2.gz YKSONULXIZVNMS-NWDGAFQWSA-N 2 2 254.378 0.716 20 0 CCADLP CN(CC[NH3+])CCNc1ccc(Cn2cc[nH+]c2)cn1 ZINC001170498823 837837009 /nfs/dbraw/zinc/83/70/09/837837009.db2.gz NMKHZJQPTINEEV-UHFFFAOYSA-N 2 2 274.372 0.629 20 0 CCADLP CC(C)(C(=O)NCC[NH2+]Cc1cnsn1)[NH+]1CCCC1 ZINC001132283933 838350849 /nfs/dbraw/zinc/35/08/49/838350849.db2.gz PBYYGWSTSRPOTE-UHFFFAOYSA-N 2 2 297.428 0.618 20 0 CCADLP O=C(NCC[NH2+]CC1CC1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001132784483 838495142 /nfs/dbraw/zinc/49/51/42/838495142.db2.gz WVNRYZVENKFIIN-HNNXBMFYSA-N 2 2 295.427 0.746 20 0 CCADLP O=C(NCC[NH2+]CC1CC1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001132784483 838495144 /nfs/dbraw/zinc/49/51/44/838495144.db2.gz WVNRYZVENKFIIN-HNNXBMFYSA-N 2 2 295.427 0.746 20 0 CCADLP O=C(NCC[NH2+]CC1CC1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001133664460 838691048 /nfs/dbraw/zinc/69/10/48/838691048.db2.gz RKOXNWBHWPQAAA-LLVKDONJSA-N 2 2 262.357 0.945 20 0 CCADLP CO[C@@H](C)C[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001133663313 838691256 /nfs/dbraw/zinc/69/12/56/838691256.db2.gz CWEOVFBVCKWHFA-WDEREUQCSA-N 2 2 280.372 0.570 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)C[N@@H+]2CCC[C@H]2C)[nH]1 ZINC001133824075 838736756 /nfs/dbraw/zinc/73/67/56/838736756.db2.gz XHELHRNGYITOKL-MNOVXSKESA-N 2 2 294.403 0.364 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)C[N@H+]2CCC[C@H]2C)[nH]1 ZINC001133824075 838736761 /nfs/dbraw/zinc/73/67/61/838736761.db2.gz XHELHRNGYITOKL-MNOVXSKESA-N 2 2 294.403 0.364 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2cnsn2)C1 ZINC001133842393 838742458 /nfs/dbraw/zinc/74/24/58/838742458.db2.gz OBIYAZWHGITNCW-SNVBAGLBSA-N 2 2 283.401 0.086 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2cnsn2)C1 ZINC001133842393 838742469 /nfs/dbraw/zinc/74/24/69/838742469.db2.gz OBIYAZWHGITNCW-SNVBAGLBSA-N 2 2 283.401 0.086 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]Cc1ccccn1 ZINC001134049309 838844771 /nfs/dbraw/zinc/84/47/71/838844771.db2.gz AYRFRQDZLPPSRF-ZIAGYGMSSA-N 2 2 299.378 0.825 20 0 CCADLP COCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134227248 838912059 /nfs/dbraw/zinc/91/20/59/838912059.db2.gz DDTSDROAFQPZAM-VXGBXAGGSA-N 2 2 282.388 0.862 20 0 CCADLP C[C@H](C[C@@H](C)[NH2+]CCO)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134229468 838914017 /nfs/dbraw/zinc/91/40/17/838914017.db2.gz UBWOVTJREPGDBC-GHMZBOCLSA-N 2 2 268.361 0.208 20 0 CCADLP Cc1nc(C)c(C[NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)s1 ZINC001134407222 838961914 /nfs/dbraw/zinc/96/19/14/838961914.db2.gz WEGWJVPCTNPRMR-UHFFFAOYSA-N 2 2 293.396 0.932 20 0 CCADLP CC(C)C[NH2+]CCNC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001134618750 839025982 /nfs/dbraw/zinc/02/59/82/839025982.db2.gz PCFBTQLMLODPRX-UHFFFAOYSA-N 2 2 297.443 0.993 20 0 CCADLP COc1c(C)[nH+]c(C2CC2)nc1N[C@@H]1C[NH2+]C[C@H]1CO ZINC001170780775 839117751 /nfs/dbraw/zinc/11/77/51/839117751.db2.gz VHSYGSDCRNCRLI-WDEREUQCSA-N 2 2 278.356 0.663 20 0 CCADLP Cc1cc(N[C@H]2C[NH2+]C[C@H]2CO)cc(OC(F)F)[nH+]1 ZINC001170786739 839143261 /nfs/dbraw/zinc/14/32/61/839143261.db2.gz ADKXLIWYRNHHBH-WPRPVWTQSA-N 2 2 273.283 0.984 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]C[C@@H]1CCCOC1 ZINC001135080096 839156164 /nfs/dbraw/zinc/15/61/64/839156164.db2.gz KVPWJJHIEJLMEI-STQMWFEESA-N 2 2 294.399 0.721 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]C[C@@H]1CCCOC1 ZINC001135080096 839156167 /nfs/dbraw/zinc/15/61/67/839156167.db2.gz KVPWJJHIEJLMEI-STQMWFEESA-N 2 2 294.399 0.721 20 0 CCADLP CC[C@H](C[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)OC ZINC001135080109 839157296 /nfs/dbraw/zinc/15/72/96/839157296.db2.gz KYOONJWPKKCMQB-WCQYABFASA-N 2 2 282.388 0.719 20 0 CCADLP CC[C@H](C[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)OC ZINC001135080109 839157301 /nfs/dbraw/zinc/15/73/01/839157301.db2.gz KYOONJWPKKCMQB-WCQYABFASA-N 2 2 282.388 0.719 20 0 CCADLP C[C@@H](O)CCC[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159537464 839361607 /nfs/dbraw/zinc/36/16/07/839361607.db2.gz XNLBLSIMFMQOKM-GFCCVEGCSA-N 2 2 282.388 0.599 20 0 CCADLP C[C@@H](O)CCC[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159537464 839361598 /nfs/dbraw/zinc/36/15/98/839361598.db2.gz XNLBLSIMFMQOKM-GFCCVEGCSA-N 2 2 282.388 0.599 20 0 CCADLP CC(C)OCC[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135759666 839395989 /nfs/dbraw/zinc/39/59/89/839395989.db2.gz ABDKSWZAECCOHO-UHFFFAOYSA-N 2 2 254.334 0.083 20 0 CCADLP CC[C@]([NH3+])(CO)Nc1nc(Cl)nc2c1C[NH2+]C2 ZINC001170855018 839424467 /nfs/dbraw/zinc/42/44/67/839424467.db2.gz NGPRYIHXIOSRTP-SNVBAGLBSA-N 2 2 257.725 0.202 20 0 CCADLP CC[C@]([NH3+])(CO)Nc1cc(-n2cc[nH+]c2C)ncn1 ZINC001170858639 839444745 /nfs/dbraw/zinc/44/47/45/839444745.db2.gz MHPABCSAANNSHN-GFCCVEGCSA-N 2 2 262.317 0.440 20 0 CCADLP Cc1ccc2[nH+]cc(CN3CC[C@@H](O)[C@H]([NH3+])C3)n2c1 ZINC001206088304 839474366 /nfs/dbraw/zinc/47/43/66/839474366.db2.gz YMMUZINLIIZTNJ-CHWSQXEVSA-N 2 2 260.341 0.537 20 0 CCADLP CC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001135948932 839475725 /nfs/dbraw/zinc/47/57/25/839475725.db2.gz FYPIGYREPLYGSO-MNOVXSKESA-N 2 2 252.362 0.855 20 0 CCADLP [NH3+][C@@H]1COC[C@H]1[NH2+][C@@H]1CCc2cccc(F)c2C1 ZINC001170953732 839604350 /nfs/dbraw/zinc/60/43/50/839604350.db2.gz ARHUBGMLXCCTTL-LERXQTSPSA-N 2 2 250.317 0.999 20 0 CCADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[C@H]3C[NH2+]CCN3C2)C[NH2+]1 ZINC001246125954 839633624 /nfs/dbraw/zinc/63/36/24/839633624.db2.gz FNRQHYFLSQSNAJ-SYQHCUMBSA-N 3 2 252.406 0.010 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[N@@H+](CC2CCC2)C[C@@H]1O ZINC001090602360 839666439 /nfs/dbraw/zinc/66/64/39/839666439.db2.gz YPWMJLDXYJVZKC-KGLIPLIRSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[N@H+](CC2CCC2)C[C@@H]1O ZINC001090602360 839666444 /nfs/dbraw/zinc/66/64/44/839666444.db2.gz YPWMJLDXYJVZKC-KGLIPLIRSA-N 2 2 292.383 0.304 20 0 CCADLP CCCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001090678442 839732798 /nfs/dbraw/zinc/73/27/98/839732798.db2.gz HALWWXZRGZZOAW-VXGBXAGGSA-N 2 2 280.372 0.304 20 0 CCADLP CCCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001090678442 839732805 /nfs/dbraw/zinc/73/28/05/839732805.db2.gz HALWWXZRGZZOAW-VXGBXAGGSA-N 2 2 280.372 0.304 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCCF)C[C@@H]1O ZINC001090763743 839784645 /nfs/dbraw/zinc/78/46/45/839784645.db2.gz LHFHXEJTKQRZNH-AAEUAGOBSA-N 2 2 298.362 0.172 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCCF)C[C@@H]1O ZINC001090763743 839784651 /nfs/dbraw/zinc/78/46/51/839784651.db2.gz LHFHXEJTKQRZNH-AAEUAGOBSA-N 2 2 298.362 0.172 20 0 CCADLP COCCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001185918086 844473750 /nfs/dbraw/zinc/47/37/50/844473750.db2.gz FPBLFKWZCVXOBC-LLVKDONJSA-N 2 2 266.345 0.179 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C1 ZINC001160476783 839910018 /nfs/dbraw/zinc/91/00/18/839910018.db2.gz NUISCASSJFERAY-WOPDTQHZSA-N 2 2 297.399 0.113 20 0 CCADLP [NH3+][C@@H]1NC(CN2C[C@H]([NH3+])CC(F)(F)C2)=CS1 ZINC001206117600 839986010 /nfs/dbraw/zinc/98/60/10/839986010.db2.gz ROBHPJLAFGFDCJ-HTRCEHHLSA-N 2 2 250.318 0.075 20 0 CCADLP CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001186222185 844521351 /nfs/dbraw/zinc/52/13/51/844521351.db2.gz WBYOGEGSYAGCLB-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP CCOCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001186222185 844521357 /nfs/dbraw/zinc/52/13/57/844521357.db2.gz WBYOGEGSYAGCLB-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP COCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146757362 840370919 /nfs/dbraw/zinc/37/09/19/840370919.db2.gz OMEWTYPQXFAQKG-CHWSQXEVSA-N 2 2 282.388 0.793 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CCC[C@@H]1CCOC1 ZINC001147877348 840710189 /nfs/dbraw/zinc/71/01/89/840710189.db2.gz HXEIZHUJJUGIBY-CYBMUJFWSA-N 2 2 294.399 0.485 20 0 CCADLP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]Cc2csnn2)C1 ZINC001147878406 840713152 /nfs/dbraw/zinc/71/31/52/840713152.db2.gz YDDLKCQJYIOJHR-JTQLQIEISA-N 2 2 283.401 0.086 20 0 CCADLP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+]Cc2csnn2)C1 ZINC001147878406 840713159 /nfs/dbraw/zinc/71/31/59/840713159.db2.gz YDDLKCQJYIOJHR-JTQLQIEISA-N 2 2 283.401 0.086 20 0 CCADLP CCCCOCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186600996 844580083 /nfs/dbraw/zinc/58/00/83/844580083.db2.gz HVMMXXUGHGFXOP-CYBMUJFWSA-N 2 2 294.399 0.959 20 0 CCADLP CCN(C(=O)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2)C1C[NH+](C)C1 ZINC001161138297 840879228 /nfs/dbraw/zinc/87/92/28/840879228.db2.gz RFGPCSGTDKRUCA-XJKSGUPXSA-N 2 2 295.427 0.698 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)[C@H]1CC12CC[NH+](C)CC2 ZINC001273524951 844587635 /nfs/dbraw/zinc/58/76/35/844587635.db2.gz MTHRJNGGHHLCKQ-GFCCVEGCSA-N 2 2 262.357 0.768 20 0 CCADLP Cn1c[nH+]cc1CN1C(=O)C[C@]2(CCC[N@H+](C)C2)C1=O ZINC001273525517 844590862 /nfs/dbraw/zinc/59/08/62/844590862.db2.gz UNLPPOSPEHVSKV-AWEZNQCLSA-N 2 2 276.340 0.391 20 0 CCADLP Cn1c[nH+]cc1CN1C(=O)C[C@]2(CCC[N@@H+](C)C2)C1=O ZINC001273525517 844590867 /nfs/dbraw/zinc/59/08/67/844590867.db2.gz UNLPPOSPEHVSKV-AWEZNQCLSA-N 2 2 276.340 0.391 20 0 CCADLP CC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]cn3C)CC[C@H]21 ZINC001036869475 841430778 /nfs/dbraw/zinc/43/07/78/841430778.db2.gz FEGYOBGAYJYBPN-GXTWGEPZSA-N 2 2 276.384 0.905 20 0 CCADLP CC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]cn3C)CC[C@H]21 ZINC001036869475 841430783 /nfs/dbraw/zinc/43/07/83/841430783.db2.gz FEGYOBGAYJYBPN-GXTWGEPZSA-N 2 2 276.384 0.905 20 0 CCADLP Cc1nc(NCCNC(=O)C2([NH+](C)C)CCC2)cc[nH+]1 ZINC001093922382 841485425 /nfs/dbraw/zinc/48/54/25/841485425.db2.gz IFRSQDAWHTUFCJ-UHFFFAOYSA-N 2 2 277.372 0.797 20 0 CCADLP Cc1nc(NCCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)cc[nH+]1 ZINC001094796330 841724463 /nfs/dbraw/zinc/72/44/63/841724463.db2.gz JTJIEUVLXJTOCX-AAEUAGOBSA-N 2 2 291.399 0.901 20 0 CCADLP Cc1nc(NCCCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)cc[nH+]1 ZINC001094796330 841724470 /nfs/dbraw/zinc/72/44/70/841724470.db2.gz JTJIEUVLXJTOCX-AAEUAGOBSA-N 2 2 291.399 0.901 20 0 CCADLP Cn1cc[nH+]c1CC[NH2+][C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172008424 841787387 /nfs/dbraw/zinc/78/73/87/841787387.db2.gz PPBCMQZSORSPIJ-LLVKDONJSA-N 2 2 262.357 0.706 20 0 CCADLP C[NH+]1CCN(C2C[NH+]([C@@H]3COC(C)(C)C3)C2)CC1 ZINC001172296737 841921574 /nfs/dbraw/zinc/92/15/74/841921574.db2.gz YPAXMEFNICRBKC-LBPRGKRZSA-N 2 2 253.390 0.486 20 0 CCADLP COC(=O)[C@@H]1CCC[C@@H]([NH2+]C2(CO)CC[NH+](C)CC2)C1 ZINC001172610857 841944846 /nfs/dbraw/zinc/94/48/46/841944846.db2.gz KVAACPVLHZLBTA-CHWSQXEVSA-N 2 2 284.400 0.765 20 0 CCADLP COC(=O)N1CCC([NH+]2CC(N3CC[NH+](C)CC3)C2)CC1 ZINC001172739868 841963364 /nfs/dbraw/zinc/96/33/64/841963364.db2.gz RKSYERPRNNUKSF-UHFFFAOYSA-N 2 2 296.415 0.149 20 0 CCADLP CC[N@@H+]1CC[C@H](N[C@H](Cc2c[nH+]cn2C)C(=O)OC)C1 ZINC001173353911 842052675 /nfs/dbraw/zinc/05/26/75/842052675.db2.gz SAGGTMXFIHHXIY-WCQYABFASA-N 2 2 280.372 0.188 20 0 CCADLP COc1ccc(C(=O)N2CCC([NH2+][C@@H]3C[C@H]3[NH3+])CC2)cc1 ZINC001173407533 842073346 /nfs/dbraw/zinc/07/33/46/842073346.db2.gz UEIPLVWNTFJGJD-HUUCEWRRSA-N 2 2 289.379 0.989 20 0 CCADLP C[NH+]1CC(C[NH2+][C@H]2CCC[C@H](n3ncnn3)C2)C1 ZINC001173756853 842149612 /nfs/dbraw/zinc/14/96/12/842149612.db2.gz LJSGIXVOPDYJRV-RYUDHWBXSA-N 2 2 250.350 0.308 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCCC[NH2+]Cc1cnon1 ZINC001175003123 842223351 /nfs/dbraw/zinc/22/33/51/842223351.db2.gz PFFXCKGHZYAUQL-UHFFFAOYSA-N 2 2 292.343 0.032 20 0 CCADLP Cc1ncc(C[NH3+])c(=N)n1C(=O)CCn1cc[nH+]c1 ZINC001176883087 842439973 /nfs/dbraw/zinc/43/99/73/842439973.db2.gz CDSHJDFOYLOTJY-UHFFFAOYSA-N 2 2 260.301 0.057 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NCCC[NH2+]CCCO ZINC001177351673 842562207 /nfs/dbraw/zinc/56/22/07/842562207.db2.gz MJLOVKFPNHIZSN-UHFFFAOYSA-N 2 2 268.361 0.142 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H](CC[NH+](C)C)C1 ZINC001177532275 842623448 /nfs/dbraw/zinc/62/34/48/842623448.db2.gz LNOMSULVRGTHKM-LBPRGKRZSA-N 2 2 264.373 0.763 20 0 CCADLP C[NH+](C)C1(C(=O)NCc2c[nH+]c3n2CCC3)CCC1 ZINC001177740268 842664660 /nfs/dbraw/zinc/66/46/60/842664660.db2.gz GASNGFGGXYYNRS-UHFFFAOYSA-N 2 2 262.357 0.930 20 0 CCADLP C[C@H](C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1)n1cc[nH+]c1 ZINC001177925493 842711000 /nfs/dbraw/zinc/71/10/00/842711000.db2.gz KIBFYMDKSMRMPT-ZIAGYGMSSA-N 2 2 292.383 0.767 20 0 CCADLP C[NH+](C)C1(C)CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001178105660 842759061 /nfs/dbraw/zinc/75/90/61/842759061.db2.gz ZXQWSXQORZTWJS-NSHDSACASA-N 2 2 262.357 0.608 20 0 CCADLP COCCC[NH2+][C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@H]1C ZINC001178572630 842881900 /nfs/dbraw/zinc/88/19/00/842881900.db2.gz NVFNECZDXUTFGG-STQMWFEESA-N 2 2 294.399 0.958 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCCCCC[NH2+]CCCO ZINC001179180631 842967406 /nfs/dbraw/zinc/96/74/06/842967406.db2.gz ZRTUYQABSCDSRE-UHFFFAOYSA-N 2 2 296.415 0.922 20 0 CCADLP CCOCC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001179264256 842982165 /nfs/dbraw/zinc/98/21/65/842982165.db2.gz CWLQQGGFFFFUIU-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP CC(C)OCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001179617916 843027109 /nfs/dbraw/zinc/02/71/09/843027109.db2.gz WWRLGRVFFPZMEN-JSGCOSHPSA-N 2 2 294.399 0.956 20 0 CCADLP CCOCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001180012812 843098579 /nfs/dbraw/zinc/09/85/79/843098579.db2.gz USPRCZSHRKUPKY-STQMWFEESA-N 2 2 294.399 0.876 20 0 CCADLP CC[NH+](CC)CC(=O)NCCOc1cc[nH+]cc1 ZINC001180391652 843162350 /nfs/dbraw/zinc/16/23/50/843162350.db2.gz YIAMYIISKZJRIV-UHFFFAOYSA-N 2 2 251.330 0.918 20 0 CCADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)C1(C)CC[NH+](C)CC1 ZINC001181985341 843663882 /nfs/dbraw/zinc/66/38/82/843663882.db2.gz VXYLRCPRHMWREX-GFCCVEGCSA-N 2 2 297.399 0.034 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)C1(C)CC[NH+](C)CC1 ZINC001181985341 843663889 /nfs/dbraw/zinc/66/38/89/843663889.db2.gz VXYLRCPRHMWREX-GFCCVEGCSA-N 2 2 297.399 0.034 20 0 CCADLP C[NH+]1CCC(O)(C(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC001182032166 843682915 /nfs/dbraw/zinc/68/29/15/843682915.db2.gz GWGFBNRMOQQANP-UHFFFAOYSA-N 2 2 292.383 0.503 20 0 CCADLP C[C@@H](O)CCC[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001182220967 843757434 /nfs/dbraw/zinc/75/74/34/843757434.db2.gz RYQHKVIKVDMNIG-CHWSQXEVSA-N 2 2 294.399 0.694 20 0 CCADLP CC(C)OCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001187092619 844649829 /nfs/dbraw/zinc/64/98/29/844649829.db2.gz ZOWNHXBGEBLDFQ-CYBMUJFWSA-N 2 2 294.399 0.578 20 0 CCADLP Nc1[nH+]ccc2c1CN(c1nccnc1C[NH3+])CC2 ZINC001187870981 844800835 /nfs/dbraw/zinc/80/08/35/844800835.db2.gz IIJCKDCELCTUOW-UHFFFAOYSA-N 2 2 256.313 0.475 20 0 CCADLP Cc1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)o1 ZINC001192144732 845799159 /nfs/dbraw/zinc/79/91/59/845799159.db2.gz WAOSXZVEOAWYLP-ZDUSSCGKSA-N 2 2 294.399 0.967 20 0 CCADLP Cc1cnc(C[N@H+](C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)o1 ZINC001192144732 845799161 /nfs/dbraw/zinc/79/91/61/845799161.db2.gz WAOSXZVEOAWYLP-ZDUSSCGKSA-N 2 2 294.399 0.967 20 0 CCADLP C[N@H+](CCCF)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192550333 845866129 /nfs/dbraw/zinc/86/61/29/845866129.db2.gz HPSTVDUINFVBFA-GFCCVEGCSA-N 2 2 268.336 0.845 20 0 CCADLP C[N@@H+](CCCF)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192550333 845866135 /nfs/dbraw/zinc/86/61/35/845866135.db2.gz HPSTVDUINFVBFA-GFCCVEGCSA-N 2 2 268.336 0.845 20 0 CCADLP CCOCC[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192558991 845869447 /nfs/dbraw/zinc/86/94/47/845869447.db2.gz FXNCAXGHXDWILS-CYBMUJFWSA-N 2 2 280.372 0.521 20 0 CCADLP CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192558991 845869457 /nfs/dbraw/zinc/86/94/57/845869457.db2.gz FXNCAXGHXDWILS-CYBMUJFWSA-N 2 2 280.372 0.521 20 0 CCADLP C[C@H]1CC[N@@H+](Cc2cn3c(n2)C[NH2+]CC3)CC[C@H]1C[NH3+] ZINC001205617549 845959910 /nfs/dbraw/zinc/95/99/10/845959910.db2.gz KPOYECLBXVEDGS-STQMWFEESA-N 3 2 277.416 0.793 20 0 CCADLP COCC[N@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193048279 845963685 /nfs/dbraw/zinc/96/36/85/845963685.db2.gz NESWIIHVODLXFY-NSHDSACASA-N 2 2 266.345 0.131 20 0 CCADLP COCC[N@@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193048279 845963695 /nfs/dbraw/zinc/96/36/95/845963695.db2.gz NESWIIHVODLXFY-NSHDSACASA-N 2 2 266.345 0.131 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1O ZINC001193601901 846137774 /nfs/dbraw/zinc/13/77/74/846137774.db2.gz NSMGORCAWSVQLY-ZIAGYGMSSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1O ZINC001193601901 846137778 /nfs/dbraw/zinc/13/77/78/846137778.db2.gz NSMGORCAWSVQLY-ZIAGYGMSSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1O ZINC001193601901 846137781 /nfs/dbraw/zinc/13/77/81/846137781.db2.gz NSMGORCAWSVQLY-ZIAGYGMSSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1O ZINC001193601901 846137784 /nfs/dbraw/zinc/13/77/84/846137784.db2.gz NSMGORCAWSVQLY-ZIAGYGMSSA-N 2 2 292.383 0.304 20 0 CCADLP CCOCCC[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194460755 846296499 /nfs/dbraw/zinc/29/64/99/846296499.db2.gz RPGKMENMYRKYEM-CQSZACIVSA-N 2 2 294.399 0.842 20 0 CCADLP CCOCCC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194460755 846296508 /nfs/dbraw/zinc/29/65/08/846296508.db2.gz RPGKMENMYRKYEM-CQSZACIVSA-N 2 2 294.399 0.842 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2ncccc2F)C1 ZINC001205673484 846377363 /nfs/dbraw/zinc/37/73/63/846377363.db2.gz RDQYNJNDUWIQHS-ZDUSSCGKSA-N 2 2 253.321 0.896 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ncccc2F)C1 ZINC001205673484 846377376 /nfs/dbraw/zinc/37/73/76/846377376.db2.gz RDQYNJNDUWIQHS-ZDUSSCGKSA-N 2 2 253.321 0.896 20 0 CCADLP O=C(CC[NH+]1CCCCC1)NCC[NH2+]Cc1cnsn1 ZINC001152340749 846926819 /nfs/dbraw/zinc/92/68/19/846926819.db2.gz XIPVVTSMCLYKKA-UHFFFAOYSA-N 2 2 297.428 0.620 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1csnn1 ZINC001152432154 847084618 /nfs/dbraw/zinc/08/46/18/847084618.db2.gz HSKVFAUVLPVKSM-JTQLQIEISA-N 2 2 285.417 0.645 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)C[N@@H+](C)C(C)C)o1 ZINC001152432517 847085747 /nfs/dbraw/zinc/08/57/47/847085747.db2.gz JACNSPGZLMTDBP-JTQLQIEISA-N 2 2 283.376 0.485 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)C[N@H+](C)C(C)C)o1 ZINC001152432517 847085753 /nfs/dbraw/zinc/08/57/53/847085753.db2.gz JACNSPGZLMTDBP-JTQLQIEISA-N 2 2 283.376 0.485 20 0 CCADLP C[NH+]1CCN(c2cc[nH+]cc2C(=O)N[C@H]2C[C@H](O)C2)CC1 ZINC001199358688 847308419 /nfs/dbraw/zinc/30/84/19/847308419.db2.gz BDJORQYBCWWDHI-HAQNSBGRSA-N 2 2 290.367 0.087 20 0 CCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccnn1C ZINC001199933685 847482298 /nfs/dbraw/zinc/48/22/98/847482298.db2.gz MKVFVBLFZSWTQB-CQSZACIVSA-N 2 2 293.415 0.452 20 0 CCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccnn1C ZINC001199933685 847482305 /nfs/dbraw/zinc/48/23/05/847482305.db2.gz MKVFVBLFZSWTQB-CQSZACIVSA-N 2 2 293.415 0.452 20 0 CCADLP CCN(C(=S)NCC[NH+]1CCCCC1)C1C[NH+](C)C1 ZINC001200427548 847637106 /nfs/dbraw/zinc/63/71/06/847637106.db2.gz GBQRDDVHKQTRPD-UHFFFAOYSA-N 2 2 284.473 0.983 20 0 CCADLP CC(C)(C)C[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001201440531 847783187 /nfs/dbraw/zinc/78/31/87/847783187.db2.gz RCRIFAWFFVUQLA-UHFFFAOYSA-N 2 2 269.433 0.982 20 0 CCADLP Cc1cnc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001273909887 847820208 /nfs/dbraw/zinc/82/02/08/847820208.db2.gz LCBHATSNRCTYFM-ITDFMYJTSA-N 2 2 292.383 0.839 20 0 CCADLP CCC(=O)C[N@@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001273950652 847920378 /nfs/dbraw/zinc/92/03/78/847920378.db2.gz JFXUYKKWNHPISR-HNNXBMFYSA-N 2 2 281.400 0.594 20 0 CCADLP CCC(=O)C[N@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001273950652 847920386 /nfs/dbraw/zinc/92/03/86/847920386.db2.gz JFXUYKKWNHPISR-HNNXBMFYSA-N 2 2 281.400 0.594 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+][C@H](C(=O)N1CCCC1)C(C)C ZINC001253210922 848160091 /nfs/dbraw/zinc/16/00/91/848160091.db2.gz PWRSSTITRJRPIQ-CABCVRRESA-N 2 2 299.459 0.926 20 0 CCADLP C(C[NH+]1CCOCC1)N1CC[NH+](CC2CCOCC2)CC1 ZINC001202590711 848185822 /nfs/dbraw/zinc/18/58/22/848185822.db2.gz IUVMXDFVSJXCFI-UHFFFAOYSA-N 2 2 297.443 0.363 20 0 CCADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000717298396 848225432 /nfs/dbraw/zinc/22/54/32/848225432.db2.gz TXBNRKLNUZPXBJ-STQMWFEESA-N 2 2 256.321 0.371 20 0 CCADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@@H](O)c1ccc(F)cc1F ZINC000717319091 848227169 /nfs/dbraw/zinc/22/71/69/848227169.db2.gz SJMIBTPMRJGUJL-GXFFZTMASA-N 2 2 274.311 0.510 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000717317704 848227607 /nfs/dbraw/zinc/22/76/07/848227607.db2.gz MYHWBTUSHPPNMA-SKDRFNHKSA-N 2 2 274.311 0.510 20 0 CCADLP C[C@H](C[NH2+]CCF)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001274810958 848572033 /nfs/dbraw/zinc/57/20/33/848572033.db2.gz TWLZVCGKFDNQAL-GHMZBOCLSA-N 2 2 268.336 0.509 20 0 CCADLP COCC[N@@H+]1CC[C@H]2CN(CCn3cc[nH+]c3)C[C@H]21 ZINC001274981836 848607271 /nfs/dbraw/zinc/60/72/71/848607271.db2.gz XEEXIMQZMTVWAR-UONOGXRCSA-N 2 2 264.373 0.536 20 0 CCADLP COCC[N@H+]1CC[C@H]2CN(CCn3cc[nH+]c3)C[C@H]21 ZINC001274981836 848607276 /nfs/dbraw/zinc/60/72/76/848607276.db2.gz XEEXIMQZMTVWAR-UONOGXRCSA-N 2 2 264.373 0.536 20 0 CCADLP CC(C)C[N@@H+]1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001275056152 848622850 /nfs/dbraw/zinc/62/28/50/848622850.db2.gz QHKSTCSYWUQCCT-GJZGRUSLSA-N 2 2 278.400 0.924 20 0 CCADLP CC(C)C[N@H+]1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001275056152 848622852 /nfs/dbraw/zinc/62/28/52/848622852.db2.gz QHKSTCSYWUQCCT-GJZGRUSLSA-N 2 2 278.400 0.924 20 0 CCADLP COc1ccc(C[NH+]2CC3(CN(CC[NH+](C)C)C3)C2)nc1 ZINC001275095631 848635647 /nfs/dbraw/zinc/63/56/47/848635647.db2.gz HQMZTMLNPRVNGH-UHFFFAOYSA-N 2 2 290.411 0.769 20 0 CCADLP Cc1cc(C[N@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)[nH]n1 ZINC001275211095 848664909 /nfs/dbraw/zinc/66/49/09/848664909.db2.gz JFBRSZIDQLKKSU-GJZGRUSLSA-N 2 2 293.415 0.165 20 0 CCADLP Cc1cc(C[N@@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)[nH]n1 ZINC001275211095 848664915 /nfs/dbraw/zinc/66/49/15/848664915.db2.gz JFBRSZIDQLKKSU-GJZGRUSLSA-N 2 2 293.415 0.165 20 0 CCADLP CCCn1cc(C[NH+]2CC3(CN(CC[NH+](C)C)C3)C2)cn1 ZINC001275710751 848798115 /nfs/dbraw/zinc/79/81/15/848798115.db2.gz WHRLSTRWRVFEFY-UHFFFAOYSA-N 2 2 291.443 0.972 20 0 CCADLP c1c[nH]c(CN2[C@@H]3C[C@H]2C[N@@H+](CCn2cc[nH+]c2)C3)n1 ZINC001275847628 848845804 /nfs/dbraw/zinc/84/58/04/848845804.db2.gz VNCBVRHGHVBCJH-BETUJISGSA-N 2 2 272.356 0.565 20 0 CCADLP c1c[nH]c(CN2[C@@H]3C[C@H]2C[N@H+](CCn2cc[nH+]c2)C3)n1 ZINC001275847628 848845807 /nfs/dbraw/zinc/84/58/07/848845807.db2.gz VNCBVRHGHVBCJH-BETUJISGSA-N 2 2 272.356 0.565 20 0 CCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1ccncc1 ZINC001275889607 848858418 /nfs/dbraw/zinc/85/84/18/848858418.db2.gz XAXSWLTWVJUYLC-GASCZTMLSA-N 2 2 260.385 0.902 20 0 CCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1ccncc1 ZINC001275889607 848858426 /nfs/dbraw/zinc/85/84/26/848858426.db2.gz XAXSWLTWVJUYLC-GASCZTMLSA-N 2 2 260.385 0.902 20 0 CCADLP COc1cccnc1C[NH+]1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001276291252 848986929 /nfs/dbraw/zinc/98/69/29/848986929.db2.gz QPGXATMIGNOMQT-UHFFFAOYSA-N 2 2 290.411 0.769 20 0 CCADLP CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001037178748 849374271 /nfs/dbraw/zinc/37/42/71/849374271.db2.gz MYXDDJQADPRLGI-NWDGAFQWSA-N 2 2 250.346 0.778 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC000961893461 849519606 /nfs/dbraw/zinc/51/96/06/849519606.db2.gz BIOMSIJIHYDQHS-IMRBUKKESA-N 2 2 260.341 0.409 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC000961893461 849519615 /nfs/dbraw/zinc/51/96/15/849519615.db2.gz BIOMSIJIHYDQHS-IMRBUKKESA-N 2 2 260.341 0.409 20 0 CCADLP [NH3+]C[C@H]1CN(CCC[NH+]2CCOCC2)C[C@@H]1C(F)(F)F ZINC000720795878 849539917 /nfs/dbraw/zinc/53/99/17/849539917.db2.gz QTNKBQJBZOAAAN-RYUDHWBXSA-N 2 2 295.349 0.778 20 0 CCADLP CC[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1[NH2+]CCO ZINC001037969368 849614116 /nfs/dbraw/zinc/61/41/16/849614116.db2.gz ONLIRBLBWYFVMN-STQMWFEESA-N 2 2 294.399 0.470 20 0 CCADLP C[C@H](NC(=O)CCn1cc[nH+]c1)C1CC[NH2+]CC1 ZINC000381186229 849741849 /nfs/dbraw/zinc/74/18/49/849741849.db2.gz UWLCWHVZGVDZGT-NSHDSACASA-N 2 2 250.346 0.778 20 0 CCADLP O=C(NC[C@H]1CC[N@H+]1CCCO)[C@H]1CCc2c[nH+]cn2C1 ZINC001038424440 849891092 /nfs/dbraw/zinc/89/10/92/849891092.db2.gz PPKJSLNRSUKYNC-GXTWGEPZSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(NC[C@H]1CC[N@@H+]1CCCO)[C@H]1CCc2c[nH+]cn2C1 ZINC001038424440 849891098 /nfs/dbraw/zinc/89/10/98/849891098.db2.gz PPKJSLNRSUKYNC-GXTWGEPZSA-N 2 2 292.383 0.018 20 0 CCADLP Cc1oncc1C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039028059 850126010 /nfs/dbraw/zinc/12/60/10/850126010.db2.gz MFEUWQRYPOBGFG-TZMCWYRMSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1oncc1C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001039028059 850126012 /nfs/dbraw/zinc/12/60/12/850126012.db2.gz MFEUWQRYPOBGFG-TZMCWYRMSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1oncc1C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039028059 850126015 /nfs/dbraw/zinc/12/60/15/850126015.db2.gz MFEUWQRYPOBGFG-TZMCWYRMSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1oncc1C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039028059 850126018 /nfs/dbraw/zinc/12/60/18/850126018.db2.gz MFEUWQRYPOBGFG-TZMCWYRMSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1ncc(C[NH+]2CC[C@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001039026100 850127107 /nfs/dbraw/zinc/12/71/07/850127107.db2.gz DIIUHFLGFUMICE-STQMWFEESA-N 2 2 292.383 0.625 20 0 CCADLP Cc1ncc(C[NH+]2CC[C@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001039026100 850127113 /nfs/dbraw/zinc/12/71/13/850127113.db2.gz DIIUHFLGFUMICE-STQMWFEESA-N 2 2 292.383 0.625 20 0 CCADLP Cc1ncc(C[N@H+]2CC[C@H]2CNC(=O)[C@H]2CC[NH+](C)C2)o1 ZINC001039026100 850127118 /nfs/dbraw/zinc/12/71/18/850127118.db2.gz DIIUHFLGFUMICE-STQMWFEESA-N 2 2 292.383 0.625 20 0 CCADLP Cc1ncc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H]2CC[NH+](C)C2)o1 ZINC001039026100 850127122 /nfs/dbraw/zinc/12/71/22/850127122.db2.gz DIIUHFLGFUMICE-STQMWFEESA-N 2 2 292.383 0.625 20 0 CCADLP CCCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042570674 850699949 /nfs/dbraw/zinc/69/99/49/850699949.db2.gz ZHKHUZIUEDOHAN-CYBMUJFWSA-N 2 2 269.389 0.260 20 0 CCADLP CCCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042570674 850699954 /nfs/dbraw/zinc/69/99/54/850699954.db2.gz ZHKHUZIUEDOHAN-CYBMUJFWSA-N 2 2 269.389 0.260 20 0 CCADLP CCC(CC)C[NH+]1CC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042573684 850700566 /nfs/dbraw/zinc/70/05/66/850700566.db2.gz QTEDATQIRVSIDC-HNNXBMFYSA-N 2 2 297.443 0.896 20 0 CCADLP CCC(CC)C[NH+]1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042573684 850700573 /nfs/dbraw/zinc/70/05/73/850700573.db2.gz QTEDATQIRVSIDC-HNNXBMFYSA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001042756000 850753621 /nfs/dbraw/zinc/75/36/21/850753621.db2.gz IOGLELKOAFTLPT-DGCLKSJQSA-N 2 2 267.373 0.012 20 0 CCADLP CC[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001042756000 850753629 /nfs/dbraw/zinc/75/36/29/850753629.db2.gz IOGLELKOAFTLPT-DGCLKSJQSA-N 2 2 267.373 0.012 20 0 CCADLP CC[N@H+]1C[C@@H]2C[NH+](C[C@H](O)C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001253689304 850890044 /nfs/dbraw/zinc/89/00/44/850890044.db2.gz RATMIZJMENTSHW-XQQFMLRXSA-N 2 2 284.400 0.573 20 0 CCADLP CC[N@@H+]1C[C@@H]2C[NH+](C[C@H](O)C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001253689304 850890052 /nfs/dbraw/zinc/89/00/52/850890052.db2.gz RATMIZJMENTSHW-XQQFMLRXSA-N 2 2 284.400 0.573 20 0 CCADLP CC[NH+]1C[C@@H]2C[N@@H+](C[C@H](O)C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001253689304 850890058 /nfs/dbraw/zinc/89/00/58/850890058.db2.gz RATMIZJMENTSHW-XQQFMLRXSA-N 2 2 284.400 0.573 20 0 CCADLP CC[NH+]1C[C@@H]2C[N@H+](C[C@H](O)C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001253689304 850890067 /nfs/dbraw/zinc/89/00/67/850890067.db2.gz RATMIZJMENTSHW-XQQFMLRXSA-N 2 2 284.400 0.573 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001043738688 850928441 /nfs/dbraw/zinc/92/84/41/850928441.db2.gz PSBFGDFZBTZTHA-UHFFFAOYSA-N 2 2 269.389 0.117 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001043870867 850953868 /nfs/dbraw/zinc/95/38/68/850953868.db2.gz MBKREHQPBSJGDA-UHFFFAOYSA-N 2 2 283.416 0.507 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001043870867 850953872 /nfs/dbraw/zinc/95/38/72/850953872.db2.gz MBKREHQPBSJGDA-UHFFFAOYSA-N 2 2 283.416 0.507 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001044820417 851165424 /nfs/dbraw/zinc/16/54/24/851165424.db2.gz QKKWOAPXIWTQPH-VXGBXAGGSA-N 2 2 264.373 0.952 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)NC2(C)CC[NH+](CC3CC3)CC2)C1 ZINC001045397559 851250025 /nfs/dbraw/zinc/25/00/25/851250025.db2.gz GPBOCQJUUACSSB-CQSZACIVSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)NC2(C)CC[NH+](CC3CC3)CC2)C1 ZINC001045397559 851250032 /nfs/dbraw/zinc/25/00/32/851250032.db2.gz GPBOCQJUUACSSB-CQSZACIVSA-N 2 2 295.427 0.698 20 0 CCADLP CCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046218577 851425865 /nfs/dbraw/zinc/42/58/65/851425865.db2.gz LDOSDKBWHCXIEI-DZGCQCFKSA-N 2 2 283.416 0.698 20 0 CCADLP CCCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046218577 851425869 /nfs/dbraw/zinc/42/58/69/851425869.db2.gz LDOSDKBWHCXIEI-DZGCQCFKSA-N 2 2 283.416 0.698 20 0 CCADLP CCCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001046218577 851425874 /nfs/dbraw/zinc/42/58/74/851425874.db2.gz LDOSDKBWHCXIEI-DZGCQCFKSA-N 2 2 283.416 0.698 20 0 CCADLP CCCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001046218577 851425879 /nfs/dbraw/zinc/42/58/79/851425879.db2.gz LDOSDKBWHCXIEI-DZGCQCFKSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@]1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC[N@H+](CCO)C1 ZINC001046434833 851503450 /nfs/dbraw/zinc/50/34/50/851503450.db2.gz SCKAMZRWSSSNFL-WFASDCNBSA-N 2 2 292.383 0.018 20 0 CCADLP C[C@]1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC[N@@H+](CCO)C1 ZINC001046434833 851503457 /nfs/dbraw/zinc/50/34/57/851503457.db2.gz SCKAMZRWSSSNFL-WFASDCNBSA-N 2 2 292.383 0.018 20 0 CCADLP Cc1nc(N2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)cc[nH+]1 ZINC001096225295 851843544 /nfs/dbraw/zinc/84/35/44/851843544.db2.gz ZQXWAWRIBMFDLJ-CYBMUJFWSA-N 2 2 291.399 0.822 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049934523 852398833 /nfs/dbraw/zinc/39/88/33/852398833.db2.gz XNMAMBDNSGUPDN-BFHYXJOUSA-N 2 2 292.383 0.329 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049934523 852398843 /nfs/dbraw/zinc/39/88/43/852398843.db2.gz XNMAMBDNSGUPDN-BFHYXJOUSA-N 2 2 292.383 0.329 20 0 CCADLP Cc1nc(N[C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001097864361 852634187 /nfs/dbraw/zinc/63/41/87/852634187.db2.gz CYYZKTWVTDZRGW-JQWIXIFHSA-N 2 2 277.372 0.653 20 0 CCADLP Cc1nc(N[C@@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001097864361 852634195 /nfs/dbraw/zinc/63/41/95/852634195.db2.gz CYYZKTWVTDZRGW-JQWIXIFHSA-N 2 2 277.372 0.653 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970840 852677373 /nfs/dbraw/zinc/67/73/73/852677373.db2.gz ZIXSHWYXOBUIGT-CHWSQXEVSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970840 852677378 /nfs/dbraw/zinc/67/73/78/852677378.db2.gz ZIXSHWYXOBUIGT-CHWSQXEVSA-N 2 2 280.372 0.235 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)C[N@H+](C)C1CCC1)CCO2 ZINC001053288871 852723610 /nfs/dbraw/zinc/72/36/10/852723610.db2.gz PVAWSIIIPIAKGB-UHFFFAOYSA-N 2 2 295.427 0.794 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)C[N@@H+](C)C1CCC1)CCO2 ZINC001053288871 852723614 /nfs/dbraw/zinc/72/36/14/852723614.db2.gz PVAWSIIIPIAKGB-UHFFFAOYSA-N 2 2 295.427 0.794 20 0 CCADLP CC(C)[NH+]1CC2(C1)CN(C(=O)C[N@H+](C)C1CCC1)CCO2 ZINC001053288480 852723754 /nfs/dbraw/zinc/72/37/54/852723754.db2.gz GQRPXXRAEWSOMR-UHFFFAOYSA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)[NH+]1CC2(C1)CN(C(=O)C[N@@H+](C)C1CCC1)CCO2 ZINC001053288480 852723758 /nfs/dbraw/zinc/72/37/58/852723758.db2.gz GQRPXXRAEWSOMR-UHFFFAOYSA-N 2 2 295.427 0.792 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)C[N@@H+]1CCC[C@@H]1C)CCO2 ZINC001053429351 852742630 /nfs/dbraw/zinc/74/26/30/852742630.db2.gz NAWTWLBTTJDOKW-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)C[N@H+]1CCC[C@@H]1C)CCO2 ZINC001053429351 852742631 /nfs/dbraw/zinc/74/26/31/852742631.db2.gz NAWTWLBTTJDOKW-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP CC(C)[NH+]1CC2(C1)CN(C(=O)C[N@@H+]1CCC[C@H]1C)CCO2 ZINC001053429102 852742729 /nfs/dbraw/zinc/74/27/29/852742729.db2.gz FSGFRZVDKXXETG-CQSZACIVSA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)[NH+]1CC2(C1)CN(C(=O)C[N@H+]1CCC[C@H]1C)CCO2 ZINC001053429102 852742732 /nfs/dbraw/zinc/74/27/32/852742732.db2.gz FSGFRZVDKXXETG-CQSZACIVSA-N 2 2 295.427 0.792 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)N2CCOC3(C[NH+](CCCF)C3)C2)C1 ZINC001053530844 852752570 /nfs/dbraw/zinc/75/25/70/852752570.db2.gz HXLXVTIGFFFJHF-CYBMUJFWSA-N 2 2 299.390 0.211 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)N2CCOC3(C[NH+](CCCF)C3)C2)C1 ZINC001053530844 852752572 /nfs/dbraw/zinc/75/25/72/852752572.db2.gz HXLXVTIGFFFJHF-CYBMUJFWSA-N 2 2 299.390 0.211 20 0 CCADLP CC(C)C[NH+]1CC2(C1)CN(C(=O)C[NH+]1CCCC1)CCO2 ZINC001053532242 852753561 /nfs/dbraw/zinc/75/35/61/852753561.db2.gz GOYJXOPHMOXUDQ-UHFFFAOYSA-N 2 2 295.427 0.651 20 0 CCADLP CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)O2 ZINC001053582618 852766394 /nfs/dbraw/zinc/76/63/94/852766394.db2.gz ITKCOEGVEBNONU-OLZOCXBDSA-N 2 2 281.400 0.450 20 0 CCADLP CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)O2 ZINC001053582618 852766396 /nfs/dbraw/zinc/76/63/96/852766396.db2.gz ITKCOEGVEBNONU-OLZOCXBDSA-N 2 2 281.400 0.450 20 0 CCADLP CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)CO2 ZINC001053756304 852806798 /nfs/dbraw/zinc/80/67/98/852806798.db2.gz TVFPPYGBDWXTKH-CHWSQXEVSA-N 2 2 281.400 0.450 20 0 CCADLP CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)CO2 ZINC001053756304 852806805 /nfs/dbraw/zinc/80/68/05/852806805.db2.gz TVFPPYGBDWXTKH-CHWSQXEVSA-N 2 2 281.400 0.450 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)CO2 ZINC001053847121 852832531 /nfs/dbraw/zinc/83/25/31/852832531.db2.gz ZLEDGWNGNBQRHV-QWHCGFSZSA-N 2 2 281.400 0.450 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)CO2 ZINC001053847121 852832534 /nfs/dbraw/zinc/83/25/34/852832534.db2.gz ZLEDGWNGNBQRHV-QWHCGFSZSA-N 2 2 281.400 0.450 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C)[C@@H]([NH2+]CCO)C2)c[nH+]1 ZINC001054791815 853016466 /nfs/dbraw/zinc/01/64/66/853016466.db2.gz WMRUFZRWYWCCJB-YPMHNXCESA-N 2 2 294.399 0.355 20 0 CCADLP C[C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1[NH2+]CCF ZINC001054828878 853020609 /nfs/dbraw/zinc/02/06/09/853020609.db2.gz CBAZFZDUFIYWOK-GWCFXTLKSA-N 2 2 298.362 0.756 20 0 CCADLP CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001050006769 853290522 /nfs/dbraw/zinc/29/05/22/853290522.db2.gz QLXVQRWRFPJEHG-MJBXVCDLSA-N 2 2 281.400 0.260 20 0 CCADLP CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001050006769 853290526 /nfs/dbraw/zinc/29/05/26/853290526.db2.gz QLXVQRWRFPJEHG-MJBXVCDLSA-N 2 2 281.400 0.260 20 0 CCADLP CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001050006769 853290533 /nfs/dbraw/zinc/29/05/33/853290533.db2.gz QLXVQRWRFPJEHG-MJBXVCDLSA-N 2 2 281.400 0.260 20 0 CCADLP CC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001050006769 853290538 /nfs/dbraw/zinc/29/05/38/853290538.db2.gz QLXVQRWRFPJEHG-MJBXVCDLSA-N 2 2 281.400 0.260 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001051086821 853521418 /nfs/dbraw/zinc/52/14/18/853521418.db2.gz NEHSJQSUSROFTN-IHRRRGAJSA-N 2 2 283.416 0.554 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001051086821 853521426 /nfs/dbraw/zinc/52/14/26/853521426.db2.gz NEHSJQSUSROFTN-IHRRRGAJSA-N 2 2 283.416 0.554 20 0 CCADLP CC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001051086821 853521432 /nfs/dbraw/zinc/52/14/32/853521432.db2.gz NEHSJQSUSROFTN-IHRRRGAJSA-N 2 2 283.416 0.554 20 0 CCADLP CC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001051086821 853521442 /nfs/dbraw/zinc/52/14/42/853521442.db2.gz NEHSJQSUSROFTN-IHRRRGAJSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)[NH2+]C[C@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCO1 ZINC001051861736 853652274 /nfs/dbraw/zinc/65/22/74/853652274.db2.gz MWAINPMNXJNPOQ-OCCSQVGLSA-N 2 2 294.399 0.814 20 0 CCADLP CC(C)[NH2+]C[C@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCO1 ZINC001051861736 853652276 /nfs/dbraw/zinc/65/22/76/853652276.db2.gz MWAINPMNXJNPOQ-OCCSQVGLSA-N 2 2 294.399 0.814 20 0 CCADLP COC1CCC(NC(=[NH2+])N2CC[NH+](C)CC2)CC1 ZINC001255448872 853964120 /nfs/dbraw/zinc/96/41/20/853964120.db2.gz ACRLZFZXFRSOCG-UHFFFAOYSA-N 2 2 254.378 0.716 20 0 CCADLP CC[N@@H+]1CCn2ncc(CNC(=O)[C@H]3CC[NH+](C)C3)c2C1 ZINC001069883067 853990072 /nfs/dbraw/zinc/99/00/72/853990072.db2.gz OVZOUPPNMROFLJ-LBPRGKRZSA-N 2 2 291.399 0.287 20 0 CCADLP CC[N@H+]1CCn2ncc(CNC(=O)[C@H]3CC[NH+](C)C3)c2C1 ZINC001069883067 853990077 /nfs/dbraw/zinc/99/00/77/853990077.db2.gz OVZOUPPNMROFLJ-LBPRGKRZSA-N 2 2 291.399 0.287 20 0 CCADLP CC[NH+]1CCn2ncc(CNC(=O)[C@H]3CC[N@H+](C)C3)c2C1 ZINC001069883067 853990082 /nfs/dbraw/zinc/99/00/82/853990082.db2.gz OVZOUPPNMROFLJ-LBPRGKRZSA-N 2 2 291.399 0.287 20 0 CCADLP CC[NH+]1CCn2ncc(CNC(=O)[C@H]3CC[N@@H+](C)C3)c2C1 ZINC001069883067 853990087 /nfs/dbraw/zinc/99/00/87/853990087.db2.gz OVZOUPPNMROFLJ-LBPRGKRZSA-N 2 2 291.399 0.287 20 0 CCADLP COC[C@@H](C)[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000151837190 854090273 /nfs/dbraw/zinc/09/02/73/854090273.db2.gz TUQLWEFEQCYNSB-KGLIPLIRSA-N 2 2 285.432 0.752 20 0 CCADLP CS(=O)(=O)C1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000393683471 854127420 /nfs/dbraw/zinc/12/74/20/854127420.db2.gz KHNAOSQCCJDPHF-RNWYCLNJSA-N 2 2 270.398 0.150 20 0 CCADLP COCC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001072120499 854348688 /nfs/dbraw/zinc/34/86/88/854348688.db2.gz VGIKHKVXDLXNFQ-CHWSQXEVSA-N 2 2 280.372 0.499 20 0 CCADLP COCC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001072120499 854348690 /nfs/dbraw/zinc/34/86/90/854348690.db2.gz VGIKHKVXDLXNFQ-CHWSQXEVSA-N 2 2 280.372 0.499 20 0 CCADLP CC[N@@H+]1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001072803850 854465549 /nfs/dbraw/zinc/46/55/49/854465549.db2.gz MTWASZJGJPMPIK-UHFFFAOYSA-N 2 2 262.357 0.897 20 0 CCADLP CC[N@H+]1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001072803850 854465558 /nfs/dbraw/zinc/46/55/58/854465558.db2.gz MTWASZJGJPMPIK-UHFFFAOYSA-N 2 2 262.357 0.897 20 0 CCADLP CC[N@@H+]1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001072803850 854465562 /nfs/dbraw/zinc/46/55/62/854465562.db2.gz MTWASZJGJPMPIK-UHFFFAOYSA-N 2 2 262.357 0.897 20 0 CCADLP CC[N@H+]1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001072803850 854465567 /nfs/dbraw/zinc/46/55/67/854465567.db2.gz MTWASZJGJPMPIK-UHFFFAOYSA-N 2 2 262.357 0.897 20 0 CCADLP CCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001074581765 854753391 /nfs/dbraw/zinc/75/33/91/854753391.db2.gz NJOPGHCVIPVARF-RWMBFGLXSA-N 2 2 269.389 0.306 20 0 CCADLP CCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001074581765 854753396 /nfs/dbraw/zinc/75/33/96/854753396.db2.gz NJOPGHCVIPVARF-RWMBFGLXSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001074764851 854777060 /nfs/dbraw/zinc/77/70/60/854777060.db2.gz ZQLLUHXKYVIQPH-AVGNSLFASA-N 2 2 294.399 0.313 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001074781403 854783434 /nfs/dbraw/zinc/78/34/34/854783434.db2.gz HFFUAWULWMXQLL-AGIUHOORSA-N 2 2 280.372 0.233 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC[N@@H+](CCCF)C[C@@H]1O ZINC001099871421 855013227 /nfs/dbraw/zinc/01/32/27/855013227.db2.gz DANDLVZIYLFBQA-OLZOCXBDSA-N 2 2 298.362 0.253 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC[N@H+](CCCF)C[C@@H]1O ZINC001099871421 855013235 /nfs/dbraw/zinc/01/32/35/855013235.db2.gz DANDLVZIYLFBQA-OLZOCXBDSA-N 2 2 298.362 0.253 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CC[N@@H+](CCCF)C[C@@H]1O ZINC001099871421 855013244 /nfs/dbraw/zinc/01/32/44/855013244.db2.gz DANDLVZIYLFBQA-OLZOCXBDSA-N 2 2 298.362 0.253 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CC[N@H+](CCCF)C[C@@H]1O ZINC001099871421 855013251 /nfs/dbraw/zinc/01/32/51/855013251.db2.gz DANDLVZIYLFBQA-OLZOCXBDSA-N 2 2 298.362 0.253 20 0 CCADLP Cc1nc(N(C)CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)cc[nH+]1 ZINC001100326676 855147693 /nfs/dbraw/zinc/14/76/93/855147693.db2.gz HPRKVPSMTRXQQA-WCQYABFASA-N 2 2 291.399 0.535 20 0 CCADLP Cc1nc(N(C)CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)cc[nH+]1 ZINC001100326676 855147695 /nfs/dbraw/zinc/14/76/95/855147695.db2.gz HPRKVPSMTRXQQA-WCQYABFASA-N 2 2 291.399 0.535 20 0 CCADLP CCOCC[NH2+]C1CC(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001100392787 855159977 /nfs/dbraw/zinc/15/99/77/855159977.db2.gz ZKQKFVAQCQOKKT-UHFFFAOYSA-N 2 2 294.399 0.863 20 0 CCADLP CCOCC[NH2+]C1CC(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001100392787 855159984 /nfs/dbraw/zinc/15/99/84/855159984.db2.gz ZKQKFVAQCQOKKT-UHFFFAOYSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@@H]1C[N@H+](CCO)C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001101927849 855394090 /nfs/dbraw/zinc/39/40/90/855394090.db2.gz ODCYVCAIBVWKTM-VXGBXAGGSA-N 2 2 280.372 0.019 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001101927849 855394092 /nfs/dbraw/zinc/39/40/92/855394092.db2.gz ODCYVCAIBVWKTM-VXGBXAGGSA-N 2 2 280.372 0.019 20 0 CCADLP C[C@@H]1C[N@H+](CCCO)C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001101928337 855394344 /nfs/dbraw/zinc/39/43/44/855394344.db2.gz XJTYVGOBPVOFKO-CHWSQXEVSA-N 2 2 294.399 0.409 20 0 CCADLP C[C@@H]1C[N@@H+](CCCO)C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001101928337 855394345 /nfs/dbraw/zinc/39/43/45/855394345.db2.gz XJTYVGOBPVOFKO-CHWSQXEVSA-N 2 2 294.399 0.409 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@@H+](CCCO)C[C@H]1C ZINC001102532197 855444154 /nfs/dbraw/zinc/44/41/54/855444154.db2.gz ZQNLGAVRITWDBC-DGCLKSJQSA-N 2 2 294.399 0.327 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@H+](CCCO)C[C@H]1C ZINC001102532197 855444160 /nfs/dbraw/zinc/44/41/60/855444160.db2.gz ZQNLGAVRITWDBC-DGCLKSJQSA-N 2 2 294.399 0.327 20 0 CCADLP CC(=O)N1CCC([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC001117630738 856029164 /nfs/dbraw/zinc/02/91/64/856029164.db2.gz BCTFQDYFVRFQFD-GFCCVEGCSA-N 2 2 262.357 0.868 20 0 CCADLP Cc1ncccc1C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC001118899901 856482534 /nfs/dbraw/zinc/48/25/34/856482534.db2.gz FZXHWPVMZKSFOD-UHFFFAOYSA-N 2 2 259.313 0.634 20 0 CCADLP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1nnc(C2CCOCC2)[nH]1 ZINC001119031853 856534255 /nfs/dbraw/zinc/53/42/55/856534255.db2.gz RHOYUVDVBVYKTJ-NXEZZACHSA-N 2 2 267.377 0.914 20 0 CCADLP CC(C)(C)[NH+]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001119594112 856764823 /nfs/dbraw/zinc/76/48/23/856764823.db2.gz KZADGAVKUVVSNG-UHFFFAOYSA-N 2 2 250.346 0.895 20 0 CCADLP C[C@H](O)CCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001393009613 912326285 /nfs/dbraw/zinc/32/62/85/912326285.db2.gz FSYAOICUXQCVBW-GXTWGEPZSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@H](O)CCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001393009613 912326303 /nfs/dbraw/zinc/32/63/03/912326303.db2.gz FSYAOICUXQCVBW-GXTWGEPZSA-N 2 2 283.416 0.384 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001393521898 912623153 /nfs/dbraw/zinc/62/31/53/912623153.db2.gz OYOGGPUAQNGYQE-QWHCGFSZSA-N 2 2 271.405 0.410 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001393521898 912623165 /nfs/dbraw/zinc/62/31/65/912623165.db2.gz OYOGGPUAQNGYQE-QWHCGFSZSA-N 2 2 271.405 0.410 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2COCC[NH+]2CC2CC2)C1 ZINC001393527680 912629976 /nfs/dbraw/zinc/62/99/76/912629976.db2.gz OAQXXLGHUOOHAE-ZFWWWQNUSA-N 2 2 295.427 0.555 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2COCC[NH+]2CC2CC2)C1 ZINC001393527680 912629983 /nfs/dbraw/zinc/62/99/83/912629983.db2.gz OAQXXLGHUOOHAE-ZFWWWQNUSA-N 2 2 295.427 0.555 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)NC[C@H]2COCC[N@@H+]2CC2CC2)C1 ZINC001393527680 912629989 /nfs/dbraw/zinc/62/99/89/912629989.db2.gz OAQXXLGHUOOHAE-ZFWWWQNUSA-N 2 2 295.427 0.555 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)NC[C@H]2COCC[N@H+]2CC2CC2)C1 ZINC001393527680 912629996 /nfs/dbraw/zinc/62/99/96/912629996.db2.gz OAQXXLGHUOOHAE-ZFWWWQNUSA-N 2 2 295.427 0.555 20 0 CCADLP CO[C@H](C)C[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CCC1 ZINC001393549859 912642114 /nfs/dbraw/zinc/64/21/14/912642114.db2.gz PLYNNWLICZNCSX-CYBMUJFWSA-N 2 2 294.399 0.937 20 0 CCADLP CC[NH+]1CC2(C1)CC[C@H](CNC(=O)Cn1cc[nH+]c1C)O2 ZINC001393674838 912712049 /nfs/dbraw/zinc/71/20/49/912712049.db2.gz XVWWIGDCTXNLJH-CYBMUJFWSA-N 2 2 292.383 0.561 20 0 CCADLP CCC[NH2+][C@]1(CO)CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001393705519 912724431 /nfs/dbraw/zinc/72/44/31/912724431.db2.gz QHRSFUGCOICBDK-OAHLLOKOSA-N 2 2 294.399 0.614 20 0 CCADLP C[C@H](CC(=O)N1CC[C@@](C)(C[NH2+]CCO)C1)n1cc[nH+]c1 ZINC001324798798 913042279 /nfs/dbraw/zinc/04/22/79/913042279.db2.gz PGJWQYUUUPYHRO-HIFRSBDPSA-N 2 2 294.399 0.655 20 0 CCADLP CC(C)OCC[NH+]1CC([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001394243663 913093402 /nfs/dbraw/zinc/09/34/02/913093402.db2.gz BISHNNUXPWMBSM-GFCCVEGCSA-N 2 2 294.399 0.814 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001394281007 913110871 /nfs/dbraw/zinc/11/08/71/913110871.db2.gz HDWOECCRDBBAIM-QWHCGFSZSA-N 2 2 294.399 0.481 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001394281007 913110878 /nfs/dbraw/zinc/11/08/78/913110878.db2.gz HDWOECCRDBBAIM-QWHCGFSZSA-N 2 2 294.399 0.481 20 0 CCADLP C[C@@H](CN(C)C(=O)CCc1c[nH+]cn1C)[NH2+]CCF ZINC001394556085 913253613 /nfs/dbraw/zinc/25/36/13/913253613.db2.gz NGFZCRCGMJGRMF-NSHDSACASA-N 2 2 270.352 0.759 20 0 CCADLP Cc1ncc(C[N@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)C2)o1 ZINC001480946955 891923725 /nfs/dbraw/zinc/92/37/25/891923725.db2.gz ZQDMXMHIUJHSED-GFCCVEGCSA-N 2 2 280.372 0.483 20 0 CCADLP Cc1ncc(C[N@@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)C2)o1 ZINC001480946955 891923735 /nfs/dbraw/zinc/92/37/35/891923735.db2.gz ZQDMXMHIUJHSED-GFCCVEGCSA-N 2 2 280.372 0.483 20 0 CCADLP Cc1ncc(C[NH+](C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001480946955 891923745 /nfs/dbraw/zinc/92/37/45/891923745.db2.gz ZQDMXMHIUJHSED-GFCCVEGCSA-N 2 2 280.372 0.483 20 0 CCADLP Cc1ncc(C[NH+](C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001480946955 891923754 /nfs/dbraw/zinc/92/37/54/891923754.db2.gz ZQDMXMHIUJHSED-GFCCVEGCSA-N 2 2 280.372 0.483 20 0 CCADLP COC[C@@H](C)[NH2+]CCN(C)C(=O)CCn1cc[nH+]c1 ZINC001481264018 892451519 /nfs/dbraw/zinc/45/15/19/892451519.db2.gz IQACKCWELSPJNB-GFCCVEGCSA-N 2 2 268.361 0.356 20 0 CCADLP CC[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]C[C@H]1CCOC1 ZINC001481818083 893182483 /nfs/dbraw/zinc/18/24/83/893182483.db2.gz FAWLWHDTFAGMQR-OLZOCXBDSA-N 2 2 294.399 0.863 20 0 CCADLP CC[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]C[C@H]1CCOC1 ZINC001481818083 893182488 /nfs/dbraw/zinc/18/24/88/893182488.db2.gz FAWLWHDTFAGMQR-OLZOCXBDSA-N 2 2 294.399 0.863 20 0 CCADLP CC(C)C[NH2+]CC1(NC(=O)[C@H]2C[N@H+](C)CCO2)CCCC1 ZINC001481890962 893250865 /nfs/dbraw/zinc/25/08/65/893250865.db2.gz KJHOZKURWRSDMQ-CQSZACIVSA-N 2 2 297.443 0.992 20 0 CCADLP CC(C)C[NH2+]CC1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CCCC1 ZINC001481890962 893250881 /nfs/dbraw/zinc/25/08/81/893250881.db2.gz KJHOZKURWRSDMQ-CQSZACIVSA-N 2 2 297.443 0.992 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@@](C)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001481943493 893281612 /nfs/dbraw/zinc/28/16/12/893281612.db2.gz HZELXEDZPXCNDQ-IAQYHMDHSA-N 2 2 294.399 0.862 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1=CC[N@H+](CCCF)CC1 ZINC001284994901 893788294 /nfs/dbraw/zinc/78/82/94/893788294.db2.gz MHQAQQKTRWRATO-UHFFFAOYSA-N 2 2 280.347 0.991 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1=CC[N@@H+](CCCF)CC1 ZINC001284994901 893788308 /nfs/dbraw/zinc/78/83/08/893788308.db2.gz MHQAQQKTRWRATO-UHFFFAOYSA-N 2 2 280.347 0.991 20 0 CCADLP C[C@@H](C[NH2+]CC1CC1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001482336785 893886446 /nfs/dbraw/zinc/88/64/46/893886446.db2.gz YPLUMESUJJIHKS-JTQLQIEISA-N 2 2 250.346 0.799 20 0 CCADLP CC(C)(C)CCC[NH2+]C[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001482798609 894608086 /nfs/dbraw/zinc/60/80/86/894608086.db2.gz FSJZOXHOSPNVIV-ZDUSSCGKSA-N 2 2 296.415 0.776 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CC[NH2+]C[C@H](C)O ZINC001482888923 894672670 /nfs/dbraw/zinc/67/26/70/894672670.db2.gz FSZSAEDDWJAFFI-UWVGGRQHSA-N 2 2 268.361 0.126 20 0 CCADLP CCN(CC[NH2+]C[C@@H](C)OC)C(=O)Cc1c[nH+]c[nH]1 ZINC001482952096 894720989 /nfs/dbraw/zinc/72/09/89/894720989.db2.gz BBHLERZCLRNJIP-LLVKDONJSA-N 2 2 268.361 0.425 20 0 CCADLP CO[C@H](C)C[NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001326371296 913916771 /nfs/dbraw/zinc/91/67/71/913916771.db2.gz RPLMQDKUNCJJCS-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H](C[NH2+]C[C@H]1CCCOC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001483134892 895013157 /nfs/dbraw/zinc/01/31/57/895013157.db2.gz PTEKHUZCQYIYOZ-CHWSQXEVSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@H](C[NH2+]C[C@H]1CCCOC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001483134892 895013172 /nfs/dbraw/zinc/01/31/72/895013172.db2.gz PTEKHUZCQYIYOZ-CHWSQXEVSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@H](C[NH2+]C[C@H]1CCCCO1)NC(=O)Cc1c[nH+]cn1C ZINC001483184099 895074115 /nfs/dbraw/zinc/07/41/15/895074115.db2.gz JBNOLXVSMRFLBZ-TZMCWYRMSA-N 2 2 294.399 0.626 20 0 CCADLP C[C@H](CNC(=O)CC[NH+]1CCOCC1)[N@H+](C)CCF ZINC001409627012 895290607 /nfs/dbraw/zinc/29/06/07/895290607.db2.gz RADPDZNYIFGRMU-GFCCVEGCSA-N 2 2 275.368 0.115 20 0 CCADLP C[C@H](CNC(=O)CC[NH+]1CCOCC1)[N@@H+](C)CCF ZINC001409627012 895290620 /nfs/dbraw/zinc/29/06/20/895290620.db2.gz RADPDZNYIFGRMU-GFCCVEGCSA-N 2 2 275.368 0.115 20 0 CCADLP C[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[N@H+](C)CCCO ZINC001409652119 895313098 /nfs/dbraw/zinc/31/30/98/895313098.db2.gz KYDYJGYSOJXYSJ-NWDGAFQWSA-N 2 2 282.388 0.407 20 0 CCADLP C[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[N@@H+](C)CCCO ZINC001409652119 895313111 /nfs/dbraw/zinc/31/31/11/895313111.db2.gz KYDYJGYSOJXYSJ-NWDGAFQWSA-N 2 2 282.388 0.407 20 0 CCADLP C[C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[N@H+](C)CCCO ZINC001409652119 895313120 /nfs/dbraw/zinc/31/31/20/895313120.db2.gz KYDYJGYSOJXYSJ-NWDGAFQWSA-N 2 2 282.388 0.407 20 0 CCADLP C[C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[N@@H+](C)CCCO ZINC001409652119 895313133 /nfs/dbraw/zinc/31/31/33/895313133.db2.gz KYDYJGYSOJXYSJ-NWDGAFQWSA-N 2 2 282.388 0.407 20 0 CCADLP CO[C@@H](C)C[N@H+](C)C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001483347643 895485990 /nfs/dbraw/zinc/48/59/90/895485990.db2.gz XPHLIFXCEAKQOM-RYUDHWBXSA-N 2 2 282.388 0.814 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001483347643 895486000 /nfs/dbraw/zinc/48/60/00/895486000.db2.gz XPHLIFXCEAKQOM-RYUDHWBXSA-N 2 2 282.388 0.814 20 0 CCADLP CO[C@@H](C)C[N@H+](C)C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001483347643 895486005 /nfs/dbraw/zinc/48/60/05/895486005.db2.gz XPHLIFXCEAKQOM-RYUDHWBXSA-N 2 2 282.388 0.814 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001483347643 895486013 /nfs/dbraw/zinc/48/60/13/895486013.db2.gz XPHLIFXCEAKQOM-RYUDHWBXSA-N 2 2 282.388 0.814 20 0 CCADLP CCC[N@@H+]1CC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001483695892 895872794 /nfs/dbraw/zinc/87/27/94/895872794.db2.gz FMRXORGHZJBAKU-ZDUSSCGKSA-N 2 2 264.373 0.953 20 0 CCADLP CCC[N@H+]1CC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001483695892 895872803 /nfs/dbraw/zinc/87/28/03/895872803.db2.gz FMRXORGHZJBAKU-ZDUSSCGKSA-N 2 2 264.373 0.953 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CCCC1 ZINC001484008490 896148521 /nfs/dbraw/zinc/14/85/21/896148521.db2.gz QSEQAESVJHXPON-RISCZKNCSA-N 2 2 294.399 0.598 20 0 CCADLP CC(C)=CC[NH+]1CC(O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001484306387 896326534 /nfs/dbraw/zinc/32/65/34/896326534.db2.gz JSOOTFGFFWVESO-CQSZACIVSA-N 2 2 297.443 0.702 20 0 CCADLP COCC[N@H+](C)C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001485060003 896752417 /nfs/dbraw/zinc/75/24/17/896752417.db2.gz MJSUVJPSYCYFSC-CQSZACIVSA-N 2 2 294.399 0.912 20 0 CCADLP COCC[N@@H+](C)C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001485060003 896752428 /nfs/dbraw/zinc/75/24/28/896752428.db2.gz MJSUVJPSYCYFSC-CQSZACIVSA-N 2 2 294.399 0.912 20 0 CCADLP COCC[N@H+](C)C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001485060003 896752439 /nfs/dbraw/zinc/75/24/39/896752439.db2.gz MJSUVJPSYCYFSC-CQSZACIVSA-N 2 2 294.399 0.912 20 0 CCADLP COCC[N@@H+](C)C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001485060003 896752451 /nfs/dbraw/zinc/75/24/51/896752451.db2.gz MJSUVJPSYCYFSC-CQSZACIVSA-N 2 2 294.399 0.912 20 0 CCADLP COCC[NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001485260254 896889338 /nfs/dbraw/zinc/88/93/38/896889338.db2.gz KLLUDOWXQHZKTR-UHFFFAOYSA-N 2 2 282.388 0.673 20 0 CCADLP CCCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001485400751 897035967 /nfs/dbraw/zinc/03/59/67/897035967.db2.gz QQRORGKZVOTWPN-ZDUSSCGKSA-N 2 2 283.416 0.434 20 0 CCADLP CCCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001485400751 897035977 /nfs/dbraw/zinc/03/59/77/897035977.db2.gz QQRORGKZVOTWPN-ZDUSSCGKSA-N 2 2 283.416 0.434 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001485406809 897039837 /nfs/dbraw/zinc/03/98/37/897039837.db2.gz DLWALMHVOMCKBW-UHFFFAOYSA-N 2 2 269.389 0.044 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC1(C[NH2+]CCO)CCCCC1 ZINC001485459377 897060430 /nfs/dbraw/zinc/06/04/30/897060430.db2.gz PIOBVFQYLYLXSS-UHFFFAOYSA-N 2 2 280.372 0.284 20 0 CCADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1C[NH+](CC2CC2)C1 ZINC001485531189 897109900 /nfs/dbraw/zinc/10/99/00/897109900.db2.gz RKVHRHBAOORUFZ-SNVBAGLBSA-N 2 2 262.357 0.799 20 0 CCADLP O=C([C@H]1C[NH2+]CCO1)N1CCC(n2cc[nH+]c2)CC1 ZINC001326782878 914165421 /nfs/dbraw/zinc/16/54/21/914165421.db2.gz BGCFOSDXOYSMJM-GFCCVEGCSA-N 2 2 264.329 0.035 20 0 CCADLP CCc1nc(N(C)CC[N@H+](C)CCO)cc(C)[nH+]1 ZINC000691330073 897514213 /nfs/dbraw/zinc/51/42/13/897514213.db2.gz DWLDUADLNPZLQR-UHFFFAOYSA-N 2 2 252.362 0.708 20 0 CCADLP CCc1nc(N(C)CC[N@@H+](C)CCO)cc(C)[nH+]1 ZINC000691330073 897514230 /nfs/dbraw/zinc/51/42/30/897514230.db2.gz DWLDUADLNPZLQR-UHFFFAOYSA-N 2 2 252.362 0.708 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1[nH+]ccn1C ZINC001032534887 897713197 /nfs/dbraw/zinc/71/31/97/897713197.db2.gz LDJGSLYOLHLQAD-AGIUHOORSA-N 2 2 292.383 0.019 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1[nH+]ccn1C ZINC001032534887 897713206 /nfs/dbraw/zinc/71/32/06/897713206.db2.gz LDJGSLYOLHLQAD-AGIUHOORSA-N 2 2 292.383 0.019 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCCO[C@@H](C[NH2+]CC2CC2)C1 ZINC001078492573 898393365 /nfs/dbraw/zinc/39/33/65/898393365.db2.gz SYVDQFFRDPVIRN-ZDUSSCGKSA-N 2 2 292.383 0.569 20 0 CCADLP CC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)CCCO1 ZINC001078502716 898396850 /nfs/dbraw/zinc/39/68/50/898396850.db2.gz NIFZJDULXWVDKL-AWEZNQCLSA-N 2 2 294.399 0.580 20 0 CCADLP C[NH+](C)CC[C@@H](N)C(=O)NCCCCn1cc[nH+]c1 ZINC001326908473 914261102 /nfs/dbraw/zinc/26/11/02/914261102.db2.gz XRIHFTCHYUXTNI-GFCCVEGCSA-N 2 2 267.377 0.059 20 0 CCADLP CCC[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001411184682 899718823 /nfs/dbraw/zinc/71/88/23/899718823.db2.gz NZWBYNYNPQHOCL-LBPRGKRZSA-N 2 2 282.388 0.422 20 0 CCADLP CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001411184682 899718835 /nfs/dbraw/zinc/71/88/35/899718835.db2.gz NZWBYNYNPQHOCL-LBPRGKRZSA-N 2 2 282.388 0.422 20 0 CCADLP C[C@H](CC(=O)N[C@H]1CC[N@H+](CCO)[C@@H]1C)n1cc[nH+]c1 ZINC001397800199 914381631 /nfs/dbraw/zinc/38/16/31/914381631.db2.gz NICSXMAVRQWEPA-UPJWGTAASA-N 2 2 280.372 0.406 20 0 CCADLP C[C@H](CC(=O)N[C@H]1CC[N@@H+](CCO)[C@@H]1C)n1cc[nH+]c1 ZINC001397800199 914381645 /nfs/dbraw/zinc/38/16/45/914381645.db2.gz NICSXMAVRQWEPA-UPJWGTAASA-N 2 2 280.372 0.406 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)CCCC[NH2+]CCO ZINC001175643742 899967778 /nfs/dbraw/zinc/96/77/78/899967778.db2.gz GDVHZBYMSWEHLU-OLZOCXBDSA-N 2 2 296.415 0.845 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)CCCC[NH2+]CCO ZINC001175643742 899967799 /nfs/dbraw/zinc/96/77/99/899967799.db2.gz GDVHZBYMSWEHLU-OLZOCXBDSA-N 2 2 296.415 0.845 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCn1cc[nH+]c1 ZINC001488643355 900326390 /nfs/dbraw/zinc/32/63/90/900326390.db2.gz ARERWIWQQFYGEO-KGLIPLIRSA-N 2 2 294.399 0.841 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@H]1CN(C)C(=O)CCn1cc[nH+]c1 ZINC001488643355 900326396 /nfs/dbraw/zinc/32/63/96/900326396.db2.gz ARERWIWQQFYGEO-KGLIPLIRSA-N 2 2 294.399 0.841 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCn1cc[nH+]c1 ZINC001488643354 900327458 /nfs/dbraw/zinc/32/74/58/900327458.db2.gz ARERWIWQQFYGEO-KBPBESRZSA-N 2 2 294.399 0.841 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@H]1CN(C)C(=O)CCn1cc[nH+]c1 ZINC001488643354 900327463 /nfs/dbraw/zinc/32/74/63/900327463.db2.gz ARERWIWQQFYGEO-KBPBESRZSA-N 2 2 294.399 0.841 20 0 CCADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)CCCC[NH+](C)C)CO2 ZINC001327412335 914529675 /nfs/dbraw/zinc/52/96/75/914529675.db2.gz LATFRDCFZYEUKZ-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP O=C(N[C@H](CO)Cc1c[nH+]c[nH]1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001412483305 901759768 /nfs/dbraw/zinc/75/97/68/901759768.db2.gz CKHULDSDOOCOTE-IHRRRGAJSA-N 2 2 292.383 0.446 20 0 CCADLP O=C(N[C@H](CO)Cc1c[nH+]c[nH]1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001412483305 901759779 /nfs/dbraw/zinc/75/97/79/901759779.db2.gz CKHULDSDOOCOTE-IHRRRGAJSA-N 2 2 292.383 0.446 20 0 CCADLP Cn1nccc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001413131641 902728604 /nfs/dbraw/zinc/72/86/04/902728604.db2.gz GDCCQMHXJYLPBI-CABCVRRESA-N 2 2 278.400 0.888 20 0 CCADLP CC(C)c1[nH]cc(CNS(=O)(=O)CCC[NH+](C)C)[nH+]1 ZINC001413444562 902954500 /nfs/dbraw/zinc/95/45/00/902954500.db2.gz GGKGBXGUMWWRRO-UHFFFAOYSA-N 2 2 288.417 0.904 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001493241645 903188027 /nfs/dbraw/zinc/18/80/27/903188027.db2.gz VOJYFLRHIPJPHH-OLZOCXBDSA-N 2 2 292.383 0.427 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001493241645 903188034 /nfs/dbraw/zinc/18/80/34/903188034.db2.gz VOJYFLRHIPJPHH-OLZOCXBDSA-N 2 2 292.383 0.427 20 0 CCADLP Cc1cnc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)nc1 ZINC001491413830 903562458 /nfs/dbraw/zinc/56/24/58/903562458.db2.gz GIQSOIAIMRMGPF-STQMWFEESA-N 2 2 291.399 0.474 20 0 CCADLP Cc1cnc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C)nc1 ZINC001491413830 903562470 /nfs/dbraw/zinc/56/24/70/903562470.db2.gz GIQSOIAIMRMGPF-STQMWFEESA-N 2 2 291.399 0.474 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3CCn4cc[nH+]c4C3)C[C@@H]21 ZINC001413798528 903669699 /nfs/dbraw/zinc/66/96/99/903669699.db2.gz RXQQOADLGJHEJJ-UPJWGTAASA-N 2 2 289.383 0.543 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3CCn4cc[nH+]c4C3)C[C@@H]21 ZINC001413798528 903669705 /nfs/dbraw/zinc/66/97/05/903669705.db2.gz RXQQOADLGJHEJJ-UPJWGTAASA-N 2 2 289.383 0.543 20 0 CCADLP COCC[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001281458534 903916476 /nfs/dbraw/zinc/91/64/76/903916476.db2.gz UGIZAYNVYXYGAK-QWRGUYRKSA-N 2 2 266.345 0.035 20 0 CCADLP C[C@@H](F)CC[N@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001377309786 904776766 /nfs/dbraw/zinc/77/67/66/904776766.db2.gz ZCKUPLFFPIAOEL-LLVKDONJSA-N 2 2 270.352 0.759 20 0 CCADLP C[C@@H](F)CC[N@@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001377309786 904776773 /nfs/dbraw/zinc/77/67/73/904776773.db2.gz ZCKUPLFFPIAOEL-LLVKDONJSA-N 2 2 270.352 0.759 20 0 CCADLP COCC[NH2+][C@@H](C)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001283678669 904958191 /nfs/dbraw/zinc/95/81/91/904958191.db2.gz RFLCMHXZBZAWEA-STQMWFEESA-N 2 2 282.388 0.917 20 0 CCADLP COC[C@@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001377682938 905099508 /nfs/dbraw/zinc/09/95/08/905099508.db2.gz GVMMRVLMWDIXPU-CHWSQXEVSA-N 2 2 294.399 0.910 20 0 CCADLP COC[C@@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001377682938 905099526 /nfs/dbraw/zinc/09/95/26/905099526.db2.gz GVMMRVLMWDIXPU-CHWSQXEVSA-N 2 2 294.399 0.910 20 0 CCADLP CC[C@@H](C(=O)NC1C[NH+](CCC[C@H]2CCOC2)C1)[NH+](C)C ZINC001377933191 905257231 /nfs/dbraw/zinc/25/72/31/905257231.db2.gz RBUAVWBMBPJHLE-ZFWWWQNUSA-N 2 2 297.443 0.944 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001377947830 905265645 /nfs/dbraw/zinc/26/56/45/905265645.db2.gz AIABOMPNCRVUQW-LBPRGKRZSA-N 2 2 285.432 0.800 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001377947830 905265662 /nfs/dbraw/zinc/26/56/62/905265662.db2.gz AIABOMPNCRVUQW-LBPRGKRZSA-N 2 2 285.432 0.800 20 0 CCADLP CC[C@@H](C(=O)NC1C[NH+](CCOC2CCC2)C1)[NH+](C)C ZINC001377959126 905276148 /nfs/dbraw/zinc/27/61/48/905276148.db2.gz MVISXKVSTHROCR-AWEZNQCLSA-N 2 2 283.416 0.696 20 0 CCADLP Cc1csc(C[NH+]2CC(CNC(=O)CC[NH+](C)C)C2)n1 ZINC001377993770 905310038 /nfs/dbraw/zinc/31/00/38/905310038.db2.gz QTAWPXJLMPNWPZ-UHFFFAOYSA-N 2 2 296.440 0.951 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NC1(CCO)C[NH+](CC2CCC2)C1 ZINC001378272610 905550642 /nfs/dbraw/zinc/55/06/42/905550642.db2.gz FOFHAAPSYFLOHR-AWEZNQCLSA-N 2 2 295.427 0.434 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NC1(CCO)C[NH+](CC2CCC2)C1 ZINC001378272610 905550662 /nfs/dbraw/zinc/55/06/62/905550662.db2.gz FOFHAAPSYFLOHR-AWEZNQCLSA-N 2 2 295.427 0.434 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001378674654 905753149 /nfs/dbraw/zinc/75/31/49/905753149.db2.gz XWSPATIFGWPFGI-CYBMUJFWSA-N 2 2 280.372 0.417 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001378674654 905753159 /nfs/dbraw/zinc/75/31/59/905753159.db2.gz XWSPATIFGWPFGI-CYBMUJFWSA-N 2 2 280.372 0.417 20 0 CCADLP CO[C@H](C)C[N@H+](C)CCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001379055255 905956493 /nfs/dbraw/zinc/95/64/93/905956493.db2.gz QDJDNFRHLIAMLU-GFCCVEGCSA-N 2 2 282.388 0.767 20 0 CCADLP CO[C@H](C)C[N@@H+](C)CCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001379055255 905956503 /nfs/dbraw/zinc/95/65/03/905956503.db2.gz QDJDNFRHLIAMLU-GFCCVEGCSA-N 2 2 282.388 0.767 20 0 CCADLP CO[C@H](C)C[N@H+](C)CCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001379055255 905956516 /nfs/dbraw/zinc/95/65/16/905956516.db2.gz QDJDNFRHLIAMLU-GFCCVEGCSA-N 2 2 282.388 0.767 20 0 CCADLP CO[C@H](C)C[N@@H+](C)CCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001379055255 905956527 /nfs/dbraw/zinc/95/65/27/905956527.db2.gz QDJDNFRHLIAMLU-GFCCVEGCSA-N 2 2 282.388 0.767 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC001333625292 906068968 /nfs/dbraw/zinc/06/89/68/906068968.db2.gz RCQGNCLXIAAFOQ-NSHDSACASA-N 2 2 265.361 0.691 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1cnon1 ZINC001379283780 906114159 /nfs/dbraw/zinc/11/41/59/906114159.db2.gz KNKPGOCXOVHLGS-NSHDSACASA-N 2 2 283.376 0.348 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1cnon1 ZINC001379283780 906114173 /nfs/dbraw/zinc/11/41/73/906114173.db2.gz KNKPGOCXOVHLGS-NSHDSACASA-N 2 2 283.376 0.348 20 0 CCADLP OC1CC2(C[C@@H]2[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC001333824058 906114659 /nfs/dbraw/zinc/11/46/59/906114659.db2.gz AIXNKHNOUAITMW-LQULJDIASA-N 2 2 266.385 0.743 20 0 CCADLP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1cnsn1)[NH+](C)C ZINC001379551780 906349017 /nfs/dbraw/zinc/34/90/17/906349017.db2.gz NHMPXAKHZLWOMT-ONGXEEELSA-N 2 2 285.417 0.473 20 0 CCADLP C[C@H](C[N@H+](C)Cc1ccn(C)n1)NC(=O)C[NH+]1CCCC1 ZINC001379787023 906482581 /nfs/dbraw/zinc/48/25/81/906482581.db2.gz UMHBAXFZYWKTHZ-CYBMUJFWSA-N 2 2 293.415 0.452 20 0 CCADLP C[C@H](C[N@@H+](C)Cc1ccn(C)n1)NC(=O)C[NH+]1CCCC1 ZINC001379787023 906482589 /nfs/dbraw/zinc/48/25/89/906482589.db2.gz UMHBAXFZYWKTHZ-CYBMUJFWSA-N 2 2 293.415 0.452 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001380033958 906601353 /nfs/dbraw/zinc/60/13/53/906601353.db2.gz WFWPBLXSPCGGMP-PWSUYJOCSA-N 2 2 280.372 0.486 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001380033958 906601363 /nfs/dbraw/zinc/60/13/63/906601363.db2.gz WFWPBLXSPCGGMP-PWSUYJOCSA-N 2 2 280.372 0.486 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001380302091 906723068 /nfs/dbraw/zinc/72/30/68/906723068.db2.gz SJNJZRSCMCQKSL-UONOGXRCSA-N 2 2 294.399 0.625 20 0 CCADLP CC(C)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001380571991 906828223 /nfs/dbraw/zinc/82/82/23/906828223.db2.gz UIXGEIXZVUXVNG-AWEZNQCLSA-N 2 2 280.372 0.092 20 0 CCADLP CC(C)C[N@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001380571991 906828235 /nfs/dbraw/zinc/82/82/35/906828235.db2.gz UIXGEIXZVUXVNG-AWEZNQCLSA-N 2 2 280.372 0.092 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)C[N@H+](C)CC(C)(C)C)CCO2 ZINC001380992377 907035501 /nfs/dbraw/zinc/03/55/01/907035501.db2.gz BVUDWCKYRVQUMI-UHFFFAOYSA-N 2 2 297.443 0.897 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)C[N@@H+](C)CC(C)(C)C)CCO2 ZINC001380992377 907035514 /nfs/dbraw/zinc/03/55/14/907035514.db2.gz BVUDWCKYRVQUMI-UHFFFAOYSA-N 2 2 297.443 0.897 20 0 CCADLP Cc1cc(C[N@@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C)nn1C ZINC001381566536 907293624 /nfs/dbraw/zinc/29/36/24/907293624.db2.gz PCYFLDSDBGGGQK-CYBMUJFWSA-N 2 2 295.431 0.617 20 0 CCADLP Cc1cc(C[N@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C)nn1C ZINC001381566536 907293639 /nfs/dbraw/zinc/29/36/39/907293639.db2.gz PCYFLDSDBGGGQK-CYBMUJFWSA-N 2 2 295.431 0.617 20 0 CCADLP C[C@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[NH2+]CCF ZINC001491603819 907488998 /nfs/dbraw/zinc/48/89/98/907488998.db2.gz AAYFCAWRRQHAKN-NXEZZACHSA-N 2 2 256.325 0.652 20 0 CCADLP C[C@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[NH2+]CCF ZINC001491603819 907489008 /nfs/dbraw/zinc/48/90/08/907489008.db2.gz AAYFCAWRRQHAKN-NXEZZACHSA-N 2 2 256.325 0.652 20 0 CCADLP C[C@H](O)CCC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001491839509 907600145 /nfs/dbraw/zinc/60/01/45/907600145.db2.gz XBKAWCOHRFAHRU-QWHCGFSZSA-N 2 2 294.399 0.551 20 0 CCADLP COC[C@@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001491966690 907653492 /nfs/dbraw/zinc/65/34/92/907653492.db2.gz HIKYUTOSKXZJKW-ZIAGYGMSSA-N 2 2 294.399 0.841 20 0 CCADLP COC[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001491966690 907653504 /nfs/dbraw/zinc/65/35/04/907653504.db2.gz HIKYUTOSKXZJKW-ZIAGYGMSSA-N 2 2 294.399 0.841 20 0 CCADLP C[C@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC[C@H]1CCOC1 ZINC001492102396 907705583 /nfs/dbraw/zinc/70/55/83/907705583.db2.gz XJHSYLALSROVFT-OLZOCXBDSA-N 2 2 294.399 0.863 20 0 CCADLP CN(C[C@@H](O)C[NH2+]CC1CC1)C(=O)CCc1c[nH]c[nH+]1 ZINC001382404927 907725327 /nfs/dbraw/zinc/72/53/27/907725327.db2.gz NNDIQIOFDHLTFH-ZDUSSCGKSA-N 2 2 280.372 0.161 20 0 CCADLP CN(C[C@@H](O)C[NH2+]CC1CC1)C(=O)CCc1c[nH+]c[nH]1 ZINC001382404927 907725339 /nfs/dbraw/zinc/72/53/39/907725339.db2.gz NNDIQIOFDHLTFH-ZDUSSCGKSA-N 2 2 280.372 0.161 20 0 CCADLP CN(C[C@H](O)C[N@H+](C)CC1CCC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001382470146 907759561 /nfs/dbraw/zinc/75/95/61/907759561.db2.gz DNQOGPKAOAREAX-CYBMUJFWSA-N 2 2 294.399 0.503 20 0 CCADLP CN(C[C@H](O)C[N@@H+](C)CC1CCC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001382470146 907759569 /nfs/dbraw/zinc/75/95/69/907759569.db2.gz DNQOGPKAOAREAX-CYBMUJFWSA-N 2 2 294.399 0.503 20 0 CCADLP CN(C[C@@H](O)C[N@H+](C)CC1CC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001382475477 907761368 /nfs/dbraw/zinc/76/13/68/907761368.db2.gz TUFKQLDXBZDPDQ-LBPRGKRZSA-N 2 2 280.372 0.113 20 0 CCADLP CN(C[C@@H](O)C[N@@H+](C)CC1CC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001382475477 907761378 /nfs/dbraw/zinc/76/13/78/907761378.db2.gz TUFKQLDXBZDPDQ-LBPRGKRZSA-N 2 2 280.372 0.113 20 0 CCADLP CO[C@@H](C)C[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001382589725 907798456 /nfs/dbraw/zinc/79/84/56/907798456.db2.gz NQWUMAZEEZKOEN-HIFPTAJRSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@H]1CC[N@H+](CC[NH2+]C[C@@H](O)C2(O)CCCC2)C1 ZINC001336800286 907996592 /nfs/dbraw/zinc/99/65/92/907996592.db2.gz FBLPRWNNLUPNPT-QWHCGFSZSA-N 2 2 256.390 0.584 20 0 CCADLP C[C@H]1CC[N@@H+](CC[NH2+]C[C@@H](O)C2(O)CCCC2)C1 ZINC001336800286 907996601 /nfs/dbraw/zinc/99/66/01/907996601.db2.gz FBLPRWNNLUPNPT-QWHCGFSZSA-N 2 2 256.390 0.584 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCc1c[nH+]c2n1CCC2 ZINC001303551063 908095200 /nfs/dbraw/zinc/09/52/00/908095200.db2.gz JVZMWJGGVLTASV-UHFFFAOYSA-N 2 2 259.313 0.651 20 0 CCADLP CC[N@@H+]1CC[C@H]1C(=O)N[C@@H]1C[NH+](CC)CC1(C)C ZINC001304043672 908136727 /nfs/dbraw/zinc/13/67/27/908136727.db2.gz YKBVWKRTPHNNRI-NWDGAFQWSA-N 2 2 253.390 0.927 20 0 CCADLP CC[N@H+]1CC[C@H]1C(=O)N[C@@H]1C[NH+](CC)CC1(C)C ZINC001304043672 908136730 /nfs/dbraw/zinc/13/67/30/908136730.db2.gz YKBVWKRTPHNNRI-NWDGAFQWSA-N 2 2 253.390 0.927 20 0 CCADLP CC[NH+]1CC[C@H]1C(=O)N[C@@H]1C[N@H+](CC)CC1(C)C ZINC001304043672 908136735 /nfs/dbraw/zinc/13/67/35/908136735.db2.gz YKBVWKRTPHNNRI-NWDGAFQWSA-N 2 2 253.390 0.927 20 0 CCADLP CC[NH+]1CC[C@H]1C(=O)N[C@@H]1C[N@@H+](CC)CC1(C)C ZINC001304043672 908136743 /nfs/dbraw/zinc/13/67/43/908136743.db2.gz YKBVWKRTPHNNRI-NWDGAFQWSA-N 2 2 253.390 0.927 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NC[C@@H]1C[NH+]2CCC1CC2 ZINC001304526806 908168365 /nfs/dbraw/zinc/16/83/65/908168365.db2.gz XGKVUFWDULJKPD-GFCCVEGCSA-N 2 2 262.357 0.800 20 0 CCADLP C[C@H](CC(=O)N1CC[C@H]([NH2+]CCCO)C1)n1cc[nH+]c1 ZINC001317063876 908952864 /nfs/dbraw/zinc/95/28/64/908952864.db2.gz LGOPWLMXJPOSBN-OLZOCXBDSA-N 2 2 280.372 0.407 20 0 CCADLP CCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001317461222 909236602 /nfs/dbraw/zinc/23/66/02/909236602.db2.gz KHRLBNPWIBKJCK-VXGBXAGGSA-N 2 2 264.373 0.982 20 0 CCADLP CCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001317461222 909236617 /nfs/dbraw/zinc/23/66/17/909236617.db2.gz KHRLBNPWIBKJCK-VXGBXAGGSA-N 2 2 264.373 0.982 20 0 CCADLP COCCC[NH2+]CCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001317606986 909398341 /nfs/dbraw/zinc/39/83/41/909398341.db2.gz XZFUKYGQLSUUAI-ZDUSSCGKSA-N 2 2 294.399 0.530 20 0 CCADLP CN(CC[NH2+]C[C@@H]1C[C@@]12CCOC2)C(=O)Cc1[nH]cc[nH+]1 ZINC001317642621 909433145 /nfs/dbraw/zinc/43/31/45/909433145.db2.gz SRRQULXGUWOUHA-SWLSCSKDSA-N 2 2 292.383 0.427 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001388649310 909532482 /nfs/dbraw/zinc/53/24/82/909532482.db2.gz GSIDVTTYDPKOKH-WCQYABFASA-N 2 2 280.372 0.520 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001388649310 909532493 /nfs/dbraw/zinc/53/24/93/909532493.db2.gz GSIDVTTYDPKOKH-WCQYABFASA-N 2 2 280.372 0.520 20 0 CCADLP CC[C@@H](C[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1)OC ZINC001388665610 909537879 /nfs/dbraw/zinc/53/78/79/909537879.db2.gz MOGORHTXNIFWIF-KGLIPLIRSA-N 2 2 294.399 0.841 20 0 CCADLP CC[C@@H](C[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1)OC ZINC001388665610 909537890 /nfs/dbraw/zinc/53/78/90/909537890.db2.gz MOGORHTXNIFWIF-KGLIPLIRSA-N 2 2 294.399 0.841 20 0 CCADLP C[C@@H](O)C[NH2+]CCC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001318937629 909927600 /nfs/dbraw/zinc/92/76/00/909927600.db2.gz MSDVULMFBQUCNZ-CYBMUJFWSA-N 2 2 294.399 0.482 20 0 CCADLP Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)cn1 ZINC001389487622 909933128 /nfs/dbraw/zinc/93/31/28/909933128.db2.gz NFYIYNFBDUFBND-CQSZACIVSA-N 2 2 291.399 0.427 20 0 CCADLP Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)cn1 ZINC001389487622 909933146 /nfs/dbraw/zinc/93/31/46/909933146.db2.gz NFYIYNFBDUFBND-CQSZACIVSA-N 2 2 291.399 0.427 20 0 CCADLP C[C@H](O)CCC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001389491771 909937341 /nfs/dbraw/zinc/93/73/41/909937341.db2.gz ZTAMJWYMFOUQGD-UONOGXRCSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@H](O)CCC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001389491771 909937348 /nfs/dbraw/zinc/93/73/48/909937348.db2.gz ZTAMJWYMFOUQGD-UONOGXRCSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001389883327 910130152 /nfs/dbraw/zinc/13/01/52/910130152.db2.gz KPFMMVFSPTUJFS-USZNOCQGSA-N 2 2 280.372 0.206 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001389883327 910130161 /nfs/dbraw/zinc/13/01/61/910130161.db2.gz KPFMMVFSPTUJFS-USZNOCQGSA-N 2 2 280.372 0.206 20 0 CCADLP COC[C@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001390148947 910247314 /nfs/dbraw/zinc/24/73/14/910247314.db2.gz GYUCGIBMMHVWSR-JSGCOSHPSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@@H](O)C[NH2+]CC[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001319791760 910297736 /nfs/dbraw/zinc/29/77/36/910297736.db2.gz USCJNHLMFRUMMP-KGLIPLIRSA-N 2 2 294.399 0.625 20 0 CCADLP Cc1cnc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001390519589 910487917 /nfs/dbraw/zinc/48/79/17/910487917.db2.gz KHRDDWHQFKUAEQ-ZYHUDNBSSA-N 2 2 280.372 0.529 20 0 CCADLP Cc1cnc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001390519589 910487940 /nfs/dbraw/zinc/48/79/40/910487940.db2.gz KHRDDWHQFKUAEQ-ZYHUDNBSSA-N 2 2 280.372 0.529 20 0 CCADLP Cc1cnc(C[NH2+][C@@H](C)CNC(=O)Cn2cc[nH+]c2)s1 ZINC001390548185 910506477 /nfs/dbraw/zinc/50/64/77/910506477.db2.gz YWZMRSHALSHIPS-JTQLQIEISA-N 2 2 293.396 0.943 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001390601382 910538379 /nfs/dbraw/zinc/53/83/79/910538379.db2.gz BZWPVHLAFVICAN-QWHCGFSZSA-N 2 2 294.399 0.172 20 0 CCADLP CCC[NH2+]C[C@H](O)CNC(=O)c1cccc2[nH+]ccn21 ZINC001320245914 910553005 /nfs/dbraw/zinc/55/30/05/910553005.db2.gz NVNDNCPLTHTTGS-NSHDSACASA-N 2 2 276.340 0.425 20 0 CCADLP COCC[NH2+]CC[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001320608042 910762160 /nfs/dbraw/zinc/76/21/60/910762160.db2.gz MXJFEACXLIVMBH-LLVKDONJSA-N 2 2 268.361 0.093 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)CCc2[nH+]ccn2C)CC[N@@H+]1CCO ZINC001417825848 921631486 /nfs/dbraw/zinc/63/14/86/921631486.db2.gz WRBMIBFBZDBJJO-QWHCGFSZSA-N 2 2 294.399 0.314 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)CCc2[nH+]ccn2C)CC[N@H+]1CCO ZINC001417825848 921631489 /nfs/dbraw/zinc/63/14/89/921631489.db2.gz WRBMIBFBZDBJJO-QWHCGFSZSA-N 2 2 294.399 0.314 20 0 CCADLP CC[NH2+]C/C=C/CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001321210717 911165530 /nfs/dbraw/zinc/16/55/30/911165530.db2.gz VGCANZGZUCQUSR-LLYBFZRZSA-N 2 2 295.427 0.912 20 0 CCADLP CC[NH2+]C/C=C/CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001321210717 911165536 /nfs/dbraw/zinc/16/55/36/911165536.db2.gz VGCANZGZUCQUSR-LLYBFZRZSA-N 2 2 295.427 0.912 20 0 CCADLP Nc1cc(NCCCC[NH+]2CCOCC2)nc[nH+]1 ZINC001321566923 911378819 /nfs/dbraw/zinc/37/88/19/911378819.db2.gz VKCOQSQISZYYLE-UHFFFAOYSA-N 2 2 251.334 0.583 20 0 CCADLP C[C@H](C[NH2+]CCC[C@H](C)O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001321661454 911429265 /nfs/dbraw/zinc/42/92/65/911429265.db2.gz LDPANSJTTUKKEP-MNOVXSKESA-N 2 2 268.361 0.208 20 0 CCADLP C[C@@H](C[NH2+]CC[C@@H]1CCOC1)NC(=O)Cn1cc[nH+]c1 ZINC001322094214 911653085 /nfs/dbraw/zinc/65/30/85/911653085.db2.gz UBZNCGCDBVJCRR-QWHCGFSZSA-N 2 2 280.372 0.404 20 0 CCADLP COCC[NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001323076417 912101699 /nfs/dbraw/zinc/10/16/99/912101699.db2.gz ITWDKFZZUOTPMC-LBPRGKRZSA-N 2 2 266.345 0.083 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H](C[NH2+]CCF)C1CC1 ZINC001323089568 912109151 /nfs/dbraw/zinc/10/91/51/912109151.db2.gz MOJAIVMSPLDENL-JTQLQIEISA-N 2 2 254.309 0.406 20 0 CCADLP CC(C)[NH2+]C[C@@H](NC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001323095500 912114124 /nfs/dbraw/zinc/11/41/24/912114124.db2.gz YRLCQNWULVYVJA-CYBMUJFWSA-N 2 2 264.373 0.855 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C[NH2+]C[C@H](C)O)C1CC1 ZINC001392805452 912158183 /nfs/dbraw/zinc/15/81/83/912158183.db2.gz PGHBAJDNYBJUII-ZANVPECISA-N 2 2 280.372 0.126 20 0 CCADLP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1CC(=O)NC(C)(C)C ZINC001392855627 912203265 /nfs/dbraw/zinc/20/32/65/912203265.db2.gz OOWXVVGAGJOKBU-GFCCVEGCSA-N 2 2 298.431 0.043 20 0 CCADLP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1CC(=O)NC(C)(C)C ZINC001392855627 912203285 /nfs/dbraw/zinc/20/32/85/912203285.db2.gz OOWXVVGAGJOKBU-GFCCVEGCSA-N 2 2 298.431 0.043 20 0 CCADLP Cc1noc(C[NH2+][C@H]2CCN(C(=O)CCC[NH+](C)C)C2)n1 ZINC001399183261 915077269 /nfs/dbraw/zinc/07/72/69/915077269.db2.gz AUCQOOAGNFGOCD-LBPRGKRZSA-N 2 2 295.387 0.410 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001399252196 915093298 /nfs/dbraw/zinc/09/32/98/915093298.db2.gz SFUOIGHZCLDZQZ-DGCLKSJQSA-N 2 2 294.399 0.734 20 0 CCADLP Cc1nonc1C[NH2+][C@H](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001399426369 915162176 /nfs/dbraw/zinc/16/21/76/915162176.db2.gz KDTLQASTJIWTNV-SNVBAGLBSA-N 2 2 292.343 0.259 20 0 CCADLP [NH3+]Cc1nccnc1NCC[NH+]1CCSCC1 ZINC001339578903 921766207 /nfs/dbraw/zinc/76/62/07/921766207.db2.gz OJWCEXUMVMPAKF-UHFFFAOYSA-N 2 2 253.375 0.396 20 0 CCADLP C[NH+]1CCC(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001328743121 915403035 /nfs/dbraw/zinc/40/30/35/915403035.db2.gz IWOROVKJYXGGKO-UHFFFAOYSA-N 2 2 250.346 0.800 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001399907599 915435155 /nfs/dbraw/zinc/43/51/55/915435155.db2.gz XTXMIAOLQXEGGM-ZIAGYGMSSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001399907599 915435165 /nfs/dbraw/zinc/43/51/65/915435165.db2.gz XTXMIAOLQXEGGM-ZIAGYGMSSA-N 2 2 294.399 0.625 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001399946149 915464386 /nfs/dbraw/zinc/46/43/86/915464386.db2.gz OBQYZWKMHOZVLD-DGCLKSJQSA-N 2 2 294.399 0.734 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001399946149 915464390 /nfs/dbraw/zinc/46/43/90/915464390.db2.gz OBQYZWKMHOZVLD-DGCLKSJQSA-N 2 2 294.399 0.734 20 0 CCADLP Cn1cc(C[NH+]2CC(CNC(=O)C[NH+]3CCCC3)C2)cn1 ZINC001400561440 915809969 /nfs/dbraw/zinc/80/99/69/915809969.db2.gz PVEAOYRRPSUOTD-UHFFFAOYSA-N 2 2 291.399 0.064 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1CC[N@H+](CCCF)C1 ZINC001400619191 915833614 /nfs/dbraw/zinc/83/36/14/915833614.db2.gz BZUVKRZSMBVGEF-LBPRGKRZSA-N 2 2 282.363 0.903 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1CC[N@@H+](CCCF)C1 ZINC001400619191 915833633 /nfs/dbraw/zinc/83/36/33/915833633.db2.gz BZUVKRZSMBVGEF-LBPRGKRZSA-N 2 2 282.363 0.903 20 0 CCADLP C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001329805401 916195227 /nfs/dbraw/zinc/19/52/27/916195227.db2.gz VCXHTTXDQRFAQG-IJLUTSLNSA-N 2 2 262.357 0.923 20 0 CCADLP C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001329805401 916195235 /nfs/dbraw/zinc/19/52/35/916195235.db2.gz VCXHTTXDQRFAQG-IJLUTSLNSA-N 2 2 262.357 0.923 20 0 CCADLP C[C@H](C[NH2+]Cc1cnsn1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001401618368 916390845 /nfs/dbraw/zinc/39/08/45/916390845.db2.gz KOKHQTJFWWRMJN-CKYFFXLPSA-N 2 2 297.428 0.473 20 0 CCADLP C[C@H](C[NH2+]Cc1cnsn1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001401618368 916390862 /nfs/dbraw/zinc/39/08/62/916390862.db2.gz KOKHQTJFWWRMJN-CKYFFXLPSA-N 2 2 297.428 0.473 20 0 CCADLP C[C@H](C[N@H+](C)Cc1ccccn1)NC(=O)Cn1cc[nH+]c1 ZINC001401820108 916612573 /nfs/dbraw/zinc/61/25/73/916612573.db2.gz MATJZKYXHWAIRC-CYBMUJFWSA-N 2 2 287.367 0.915 20 0 CCADLP C[C@H](C[N@@H+](C)Cc1ccccn1)NC(=O)Cn1cc[nH+]c1 ZINC001401820108 916612585 /nfs/dbraw/zinc/61/25/85/916612585.db2.gz MATJZKYXHWAIRC-CYBMUJFWSA-N 2 2 287.367 0.915 20 0 CCADLP CC(C)C[C@H](C(=O)NC[C@H]1CC[N@@H+]1CCO)n1cc[nH+]c1 ZINC001401892783 916669165 /nfs/dbraw/zinc/66/91/65/916669165.db2.gz JEFWCHPMGZXKAD-ZIAGYGMSSA-N 2 2 294.399 0.653 20 0 CCADLP CC(C)C[C@H](C(=O)NC[C@H]1CC[N@H+]1CCO)n1cc[nH+]c1 ZINC001401892783 916669175 /nfs/dbraw/zinc/66/91/75/916669175.db2.gz JEFWCHPMGZXKAD-ZIAGYGMSSA-N 2 2 294.399 0.653 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@@H+]1CC[C@@H]1CCOC1 ZINC001401914384 916685931 /nfs/dbraw/zinc/68/59/31/916685931.db2.gz KAMABPSLAQJCEM-ZIAGYGMSSA-N 2 2 292.383 0.500 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@H+]1CC[C@@H]1CCOC1 ZINC001401914384 916685945 /nfs/dbraw/zinc/68/59/45/916685945.db2.gz KAMABPSLAQJCEM-ZIAGYGMSSA-N 2 2 292.383 0.500 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@@H+]1CC[C@H]1CCOC1 ZINC001401914375 916688455 /nfs/dbraw/zinc/68/84/55/916688455.db2.gz KAMABPSLAQJCEM-UONOGXRCSA-N 2 2 292.383 0.500 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@H+]1CC[C@H]1CCOC1 ZINC001401914375 916688468 /nfs/dbraw/zinc/68/84/68/916688468.db2.gz KAMABPSLAQJCEM-UONOGXRCSA-N 2 2 292.383 0.500 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001330549534 916690728 /nfs/dbraw/zinc/69/07/28/916690728.db2.gz GHDRSBKNVFBWPP-PWSUYJOCSA-N 2 2 263.345 0.266 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001330549534 916690743 /nfs/dbraw/zinc/69/07/43/916690743.db2.gz GHDRSBKNVFBWPP-PWSUYJOCSA-N 2 2 263.345 0.266 20 0 CCADLP NS(=O)(=O)c1cccc(C[NH2+]CCC[NH+]2CCCC2)c1 ZINC001330619875 916749143 /nfs/dbraw/zinc/74/91/43/916749143.db2.gz ZEIPTZIZJAJQJO-UHFFFAOYSA-N 2 2 297.424 0.910 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@]1(C)CC[N@H+](CCCO)C1 ZINC001402142263 916835040 /nfs/dbraw/zinc/83/50/40/916835040.db2.gz QUGRKSCDMOMXFM-DOMZBBRYSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@]1(C)CC[N@@H+](CCCO)C1 ZINC001402142263 916835057 /nfs/dbraw/zinc/83/50/57/916835057.db2.gz QUGRKSCDMOMXFM-DOMZBBRYSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@]1(C)CC[N@H+](CCCO)C1 ZINC001402142263 916835072 /nfs/dbraw/zinc/83/50/72/916835072.db2.gz QUGRKSCDMOMXFM-DOMZBBRYSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@]1(C)CC[N@@H+](CCCO)C1 ZINC001402142263 916835083 /nfs/dbraw/zinc/83/50/83/916835083.db2.gz QUGRKSCDMOMXFM-DOMZBBRYSA-N 2 2 294.399 0.551 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@]1(O)CC[N@@H+](CC(C)C)C1 ZINC001402325236 916957525 /nfs/dbraw/zinc/95/75/25/916957525.db2.gz ZTMGAFZTHHZLDO-HNNXBMFYSA-N 2 2 294.399 0.470 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@]1(O)CC[N@H+](CC(C)C)C1 ZINC001402325236 916957535 /nfs/dbraw/zinc/95/75/35/916957535.db2.gz ZTMGAFZTHHZLDO-HNNXBMFYSA-N 2 2 294.399 0.470 20 0 CCADLP Cc1[nH+]ccn1CCCCNC(=O)c1cnc(C[NH3+])nc1 ZINC001331043938 917045779 /nfs/dbraw/zinc/04/57/79/917045779.db2.gz YFCZWKURJYZABY-UHFFFAOYSA-N 2 2 288.355 0.650 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccon1 ZINC001402914569 917344235 /nfs/dbraw/zinc/34/42/35/917344235.db2.gz ZRELQBNVIIABMJ-YPMHNXCESA-N 2 2 280.372 0.753 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1ccon1 ZINC001402914569 917344243 /nfs/dbraw/zinc/34/42/43/917344243.db2.gz ZRELQBNVIIABMJ-YPMHNXCESA-N 2 2 280.372 0.753 20 0 CCADLP C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]CC1CCOCC1 ZINC001403045634 917442782 /nfs/dbraw/zinc/44/27/82/917442782.db2.gz RVFYSEOLRBPAFQ-RYUDHWBXSA-N 2 2 294.399 0.862 20 0 CCADLP Cc1nc(C[NH2+][C@@H](C)CNC(=O)C[NH+]2CCCC2)oc1C ZINC001403125944 917508320 /nfs/dbraw/zinc/50/83/20/917508320.db2.gz BAFHAYXWOZMREI-NSHDSACASA-N 2 2 294.399 0.982 20 0 CCADLP CC(C)[NH2+][C@H](CO)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001331805051 917623598 /nfs/dbraw/zinc/62/35/98/917623598.db2.gz PVDCBPVFKNUYSC-JQWIXIFHSA-N 2 2 268.361 0.063 20 0 CCADLP CC(C)[NH2+][C@H](CO)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001331805051 917623609 /nfs/dbraw/zinc/62/36/09/917623609.db2.gz PVDCBPVFKNUYSC-JQWIXIFHSA-N 2 2 268.361 0.063 20 0 CCADLP CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001403414409 917702773 /nfs/dbraw/zinc/70/27/73/917702773.db2.gz DCQWFNMQEGGSNK-GXTWGEPZSA-N 2 2 294.399 0.958 20 0 CCADLP CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC001403414409 917702786 /nfs/dbraw/zinc/70/27/86/917702786.db2.gz DCQWFNMQEGGSNK-GXTWGEPZSA-N 2 2 294.399 0.958 20 0 CCADLP COCCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@@H]1C ZINC001331927741 917725332 /nfs/dbraw/zinc/72/53/32/917725332.db2.gz FJSPMKQDKKOWJX-CHWSQXEVSA-N 2 2 294.399 0.876 20 0 CCADLP CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1nnc(C)[nH]1)[NH+](C)C ZINC001403628292 917856728 /nfs/dbraw/zinc/85/67/28/917856728.db2.gz JAGBRLUXBSGVTN-PWSUYJOCSA-N 2 2 296.419 0.390 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NCC[NH+](C)Cc2ccnn2C)C1 ZINC001403684547 917924049 /nfs/dbraw/zinc/92/40/49/917924049.db2.gz PTEOJEKLJNMAOU-ZDUSSCGKSA-N 2 2 293.415 0.310 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+](C)Cc2ccnn2C)C1 ZINC001403684547 917924058 /nfs/dbraw/zinc/92/40/58/917924058.db2.gz PTEOJEKLJNMAOU-ZDUSSCGKSA-N 2 2 293.415 0.310 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)NCC[N@H+](C)Cc2ccnn2C)C1 ZINC001403684547 917924066 /nfs/dbraw/zinc/92/40/66/917924066.db2.gz PTEOJEKLJNMAOU-ZDUSSCGKSA-N 2 2 293.415 0.310 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)NCC[N@@H+](C)Cc2ccnn2C)C1 ZINC001403684547 917924077 /nfs/dbraw/zinc/92/40/77/917924077.db2.gz PTEOJEKLJNMAOU-ZDUSSCGKSA-N 2 2 293.415 0.310 20 0 CCADLP O[C@H](C[NH2+]CCCCn1cc[nH+]c1)CC1(O)CCOCC1 ZINC001332239356 917984859 /nfs/dbraw/zinc/98/48/59/917984859.db2.gz UDDXJNGRQOKVAR-AWEZNQCLSA-N 2 2 297.399 0.545 20 0 CCADLP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)Cc1cnnn1C ZINC001403949862 918144261 /nfs/dbraw/zinc/14/42/61/918144261.db2.gz NZSOINZXZJIXOH-UHFFFAOYSA-N 2 2 296.419 0.093 20 0 CCADLP CC[N@@H+](CCNC(=O)C[NH+](C)C(C)C)Cc1cnnn1C ZINC001403949862 918144266 /nfs/dbraw/zinc/14/42/66/918144266.db2.gz NZSOINZXZJIXOH-UHFFFAOYSA-N 2 2 296.419 0.093 20 0 CCADLP CC[NH+](CCNC(=O)C[N@H+](C)C(C)C)Cc1cnnn1C ZINC001403949862 918144277 /nfs/dbraw/zinc/14/42/77/918144277.db2.gz NZSOINZXZJIXOH-UHFFFAOYSA-N 2 2 296.419 0.093 20 0 CCADLP CC[NH+](CCNC(=O)C[N@@H+](C)C(C)C)Cc1cnnn1C ZINC001403949862 918144284 /nfs/dbraw/zinc/14/42/84/918144284.db2.gz NZSOINZXZJIXOH-UHFFFAOYSA-N 2 2 296.419 0.093 20 0 CCADLP C[C@@H]([NH2+]CCN(C)C(=O)C[NH+]1CCCC1)c1ncccn1 ZINC001404334105 918311450 /nfs/dbraw/zinc/31/14/50/918311450.db2.gz RXYQBNNJQUYLRA-CYBMUJFWSA-N 2 2 291.399 0.681 20 0 CCADLP CC[C@H](C(=O)NC1C[NH+](C[C@@H]2CCCCO2)C1)[NH+](C)C ZINC001404787586 918463547 /nfs/dbraw/zinc/46/35/47/918463547.db2.gz WTNHXMRMOQNPRB-UONOGXRCSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001405531199 918791883 /nfs/dbraw/zinc/79/18/83/918791883.db2.gz XWSSNSZJPXYWFF-IHRRRGAJSA-N 2 2 294.399 0.671 20 0 CCADLP COC[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001405892162 918959379 /nfs/dbraw/zinc/95/93/79/918959379.db2.gz OJANZBJBDUZLJR-WDEREUQCSA-N 2 2 282.388 0.732 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001406361764 919214726 /nfs/dbraw/zinc/21/47/26/919214726.db2.gz SOQUHICYNQFYEX-VXGBXAGGSA-N 2 2 294.399 0.237 20 0 CCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H]1CC[N@@H+]1CCO ZINC001406825275 919483345 /nfs/dbraw/zinc/48/33/45/919483345.db2.gz HASFGJSNNMRGMT-QWHCGFSZSA-N 2 2 294.399 0.579 20 0 CCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H]1CC[N@H+]1CCO ZINC001406825275 919483356 /nfs/dbraw/zinc/48/33/56/919483356.db2.gz HASFGJSNNMRGMT-QWHCGFSZSA-N 2 2 294.399 0.579 20 0 CCADLP COCC[N@@H+]1CC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001406885319 919514255 /nfs/dbraw/zinc/51/42/55/919514255.db2.gz WRDKQCOSPYSANO-QWHCGFSZSA-N 2 2 280.372 0.671 20 0 CCADLP COCC[N@H+]1CC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001406885319 919514266 /nfs/dbraw/zinc/51/42/66/919514266.db2.gz WRDKQCOSPYSANO-QWHCGFSZSA-N 2 2 280.372 0.671 20 0 CCADLP CO[C@H](C)C[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001406956670 919554184 /nfs/dbraw/zinc/55/41/84/919554184.db2.gz NSBOURUVZMLXMS-GFCCVEGCSA-N 2 2 280.372 0.547 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC1([NH2+]C[C@H]2CCOC2)CC1 ZINC001406984056 919566227 /nfs/dbraw/zinc/56/62/27/919566227.db2.gz BIVYTEHTDAQQOE-GFCCVEGCSA-N 2 2 292.383 0.238 20 0 CCADLP C[C@@H](O)C[NH+]1CCC(C)(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001407275767 919687168 /nfs/dbraw/zinc/68/71/68/919687168.db2.gz NBQXUBNDNJWZJY-CYBMUJFWSA-N 2 2 294.399 0.482 20 0 CCADLP CC(C)[N@@H+]1CCO[C@@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001407471289 919770571 /nfs/dbraw/zinc/77/05/71/919770571.db2.gz QIJXPFNEWOADAB-AWEZNQCLSA-N 2 2 294.399 0.578 20 0 CCADLP CC(C)[N@H+]1CCO[C@@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001407471289 919770587 /nfs/dbraw/zinc/77/05/87/919770587.db2.gz QIJXPFNEWOADAB-AWEZNQCLSA-N 2 2 294.399 0.578 20 0 CCADLP CC[N@@H+]1CCC[C@@](CO)(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001407646254 919842182 /nfs/dbraw/zinc/84/21/82/919842182.db2.gz VTJPCQHRTNEZQH-OAHLLOKOSA-N 2 2 294.399 0.626 20 0 CCADLP CC[N@H+]1CCC[C@@](CO)(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001407646254 919842193 /nfs/dbraw/zinc/84/21/93/919842193.db2.gz VTJPCQHRTNEZQH-OAHLLOKOSA-N 2 2 294.399 0.626 20 0 CCADLP O=C(NCC1([NH2+]CCO)CCC1)c1cccc2[nH+]ccn21 ZINC001407794129 919893140 /nfs/dbraw/zinc/89/31/40/919893140.db2.gz DWMWMIUQAVCFEZ-UHFFFAOYSA-N 2 2 288.351 0.569 20 0 CCADLP C[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001407860287 919922017 /nfs/dbraw/zinc/92/20/17/919922017.db2.gz YUTFSXHRFHIZRA-UONOGXRCSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001407860287 919922026 /nfs/dbraw/zinc/92/20/26/919922026.db2.gz YUTFSXHRFHIZRA-UONOGXRCSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001407860275 919922971 /nfs/dbraw/zinc/92/29/71/919922971.db2.gz YUTFSXHRFHIZRA-KGLIPLIRSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001407860275 919922989 /nfs/dbraw/zinc/92/29/89/919922989.db2.gz YUTFSXHRFHIZRA-KGLIPLIRSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N2CCn3c[nH+]cc3C2)CC[N@H+]1C ZINC001335251328 920064410 /nfs/dbraw/zinc/06/44/10/920064410.db2.gz JKEFCBLWIFRLTG-ZYHUDNBSSA-N 2 2 263.345 0.501 20 0 CCADLP CCOC(=O)CC[C@@H](O)C[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC001335445375 920197266 /nfs/dbraw/zinc/19/72/66/920197266.db2.gz RHURNPOCBDITIU-QWHCGFSZSA-N 2 2 272.389 0.622 20 0 CCADLP CCOC(=O)CC[C@@H](O)C[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC001335445375 920197275 /nfs/dbraw/zinc/19/72/75/920197275.db2.gz RHURNPOCBDITIU-QWHCGFSZSA-N 2 2 272.389 0.622 20 0 CCADLP CC[NH2+]CCNC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC001335538317 920262393 /nfs/dbraw/zinc/26/23/93/920262393.db2.gz RBFUTCGMSAXEBI-GFCCVEGCSA-N 2 2 272.393 0.006 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001335572552 920285195 /nfs/dbraw/zinc/28/51/95/920285195.db2.gz RDAJVTCOYOICQC-LLVKDONJSA-N 2 2 265.361 0.752 20 0 CCADLP C[C@@H](C[NH2+]C[C@H](O)CC(C)(C)O)Cn1cc[nH+]c1 ZINC001336738781 920968213 /nfs/dbraw/zinc/96/82/13/920968213.db2.gz FDTOYTDEYGLMNL-NWDGAFQWSA-N 2 2 255.362 0.631 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC001336742270 920972544 /nfs/dbraw/zinc/97/25/44/920972544.db2.gz NCHLSLGUEOMQJV-HNCHTBHHSA-N 2 2 260.341 0.866 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC001336742270 920972560 /nfs/dbraw/zinc/97/25/60/920972560.db2.gz NCHLSLGUEOMQJV-HNCHTBHHSA-N 2 2 260.341 0.866 20 0 CCADLP CC[C@H]1COCCN1CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC001336798725 921018172 /nfs/dbraw/zinc/01/81/72/921018172.db2.gz YCOCKZYFDCBVPG-DZGCQCFKSA-N 2 2 285.432 0.142 20 0 CCADLP CC[C@H]1COCCN1CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC001336798725 921018186 /nfs/dbraw/zinc/01/81/86/921018186.db2.gz YCOCKZYFDCBVPG-DZGCQCFKSA-N 2 2 285.432 0.142 20 0 CCADLP CC(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001418162085 921865257 /nfs/dbraw/zinc/86/52/57/921865257.db2.gz HHFGMTNUOZTCOI-CABCVRRESA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001418162085 921865267 /nfs/dbraw/zinc/86/52/67/921865267.db2.gz HHFGMTNUOZTCOI-CABCVRRESA-N 2 2 297.443 0.944 20 0 CCADLP Cc1nonc1C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001418239707 921953864 /nfs/dbraw/zinc/95/38/64/921953864.db2.gz MXFBCDBDQKEIOO-GWCFXTLKSA-N 2 2 297.403 0.559 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H](C)C[NH2+]1 ZINC001340129159 921969543 /nfs/dbraw/zinc/96/95/43/921969543.db2.gz RYIORWWLXBSASP-IJLUTSLNSA-N 2 2 262.357 0.654 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)CNC(=O)C2CC[NH+](C)CC2)o1 ZINC001418267937 921977656 /nfs/dbraw/zinc/97/76/56/921977656.db2.gz NBHZPSNOVPGEQT-SNVBAGLBSA-N 2 2 295.387 0.314 20 0 CCADLP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001340180657 921997425 /nfs/dbraw/zinc/99/74/25/921997425.db2.gz FGHXEDVDCMKTAT-UTUOFQBUSA-N 2 2 262.357 0.689 20 0 CCADLP C[C@@H](C(=O)N1CCC[C@@H]1C[NH+](C)C)n1cc[nH+]c1 ZINC001340235162 922019702 /nfs/dbraw/zinc/01/97/02/922019702.db2.gz ANSCSOYGOCVFQC-NWDGAFQWSA-N 2 2 250.346 0.997 20 0 CCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H](C[NH3+])C1CC1 ZINC001340334003 922058353 /nfs/dbraw/zinc/05/83/53/922058353.db2.gz PRXXOGOSZQTLBT-UTUOFQBUSA-N 2 2 262.357 0.719 20 0 CCADLP C[C@@H](O)C[NH2+][C@H](C)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001418410300 922087435 /nfs/dbraw/zinc/08/74/35/922087435.db2.gz UIEHCWOWZGSTIB-VXGBXAGGSA-N 2 2 290.367 0.813 20 0 CCADLP C[C@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1nccn1C ZINC001418415749 922091081 /nfs/dbraw/zinc/09/10/81/922091081.db2.gz FITDWZZWKOGXEB-LLVKDONJSA-N 2 2 290.371 0.370 20 0 CCADLP C[NH2+]C[C@@H](O)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001340744829 922195180 /nfs/dbraw/zinc/19/51/80/922195180.db2.gz AVRGYGBGGAXQGE-SNVBAGLBSA-N 2 2 262.313 0.215 20 0 CCADLP CC[C@H](C[NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)C1)OC ZINC001418710276 922378111 /nfs/dbraw/zinc/37/81/11/922378111.db2.gz RIFSTXAOCAHKLR-MGPQQGTHSA-N 2 2 294.399 0.793 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]CCN(C)C(=O)C[N@@H+](C)C(C)C)n1 ZINC001418829120 922439373 /nfs/dbraw/zinc/43/93/73/922439373.db2.gz LSVHAJQKNGOVII-LLVKDONJSA-N 2 2 297.403 0.827 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]CCN(C)C(=O)C[N@H+](C)C(C)C)n1 ZINC001418829120 922439381 /nfs/dbraw/zinc/43/93/81/922439381.db2.gz LSVHAJQKNGOVII-LLVKDONJSA-N 2 2 297.403 0.827 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001418902797 922476298 /nfs/dbraw/zinc/47/62/98/922476298.db2.gz CUBQTDQIBWGCHQ-NWDGAFQWSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001418902797 922476308 /nfs/dbraw/zinc/47/63/08/922476308.db2.gz CUBQTDQIBWGCHQ-NWDGAFQWSA-N 2 2 280.372 0.161 20 0 CCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001418972348 922532220 /nfs/dbraw/zinc/53/22/20/922532220.db2.gz QLESKBKWBKOCCU-RYUDHWBXSA-N 2 2 294.399 0.578 20 0 CCADLP [NH3+]CCCn1ccc(C(=O)NCc2ccn3cc[nH+]c3c2)n1 ZINC001341616201 922583221 /nfs/dbraw/zinc/58/32/21/922583221.db2.gz WZLOGNRGRVKRRA-UHFFFAOYSA-N 2 2 298.350 0.810 20 0 CCADLP C[C@H](CC(=O)NC[C@@H]1C[NH2+]C[C@H]1C)n1cc[nH+]c1 ZINC001341648237 922605220 /nfs/dbraw/zinc/60/52/20/922605220.db2.gz RTOWJKOTQRMMIU-UTUOFQBUSA-N 2 2 250.346 0.806 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC001341753941 922658279 /nfs/dbraw/zinc/65/82/79/922658279.db2.gz UGEIEFVYVZFDQA-NWDGAFQWSA-N 2 2 257.378 0.211 20 0 CCADLP CC[C@H](C(=O)N[C@@H](C)C[NH3+])[N@@H+]1CCO[C@@H](CC)C1 ZINC001341768369 922664407 /nfs/dbraw/zinc/66/44/07/922664407.db2.gz UTWOGCRCERMXOK-SDDRHHMPSA-N 2 2 257.378 0.339 20 0 CCADLP CC[C@H](C(=O)N[C@@H](C)C[NH3+])[N@H+]1CCO[C@@H](CC)C1 ZINC001341768369 922664425 /nfs/dbraw/zinc/66/44/25/922664425.db2.gz UTWOGCRCERMXOK-SDDRHHMPSA-N 2 2 257.378 0.339 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001341977668 922749801 /nfs/dbraw/zinc/74/98/01/922749801.db2.gz MPPMZARSIXYAHF-BYAALVKHSA-N 2 2 262.357 0.974 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001341977668 922749809 /nfs/dbraw/zinc/74/98/09/922749809.db2.gz MPPMZARSIXYAHF-BYAALVKHSA-N 2 2 262.357 0.974 20 0 CCADLP CC[C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+][C@H](C)COC ZINC001419285749 922749944 /nfs/dbraw/zinc/74/99/44/922749944.db2.gz ZPVKUYASGHMJPT-PWSUYJOCSA-N 2 2 282.388 0.780 20 0 CCADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC001342302991 922902056 /nfs/dbraw/zinc/90/20/56/922902056.db2.gz JQHGEPFJKSTDRF-QVWFHYRISA-N 2 2 295.427 0.577 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001342399528 922947166 /nfs/dbraw/zinc/94/71/66/922947166.db2.gz NABDGAYXIKESNY-AWEZNQCLSA-N 2 2 262.357 0.944 20 0 CCADLP Cc1cc(C(=O)NCC[NH+]2CCC([NH3+])CC2)ccc1N ZINC001342463704 922971408 /nfs/dbraw/zinc/97/14/08/922971408.db2.gz ZORUEMKJZLLXPX-UHFFFAOYSA-N 2 2 276.384 0.730 20 0 CCADLP CCn1nccc1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001342461565 922972370 /nfs/dbraw/zinc/97/23/70/922972370.db2.gz IZQORLKSLIYVIB-UHFFFAOYSA-N 2 2 265.361 0.056 20 0 CCADLP [NH3+][C@@H](C(=O)NCC1([NH3+])CC1)c1c(F)cccc1F ZINC001342816148 923100449 /nfs/dbraw/zinc/10/04/49/923100449.db2.gz WRFPWIHBBMFRSI-SNVBAGLBSA-N 2 2 255.268 0.572 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+]Cc1nccn1C ZINC001419792769 923101155 /nfs/dbraw/zinc/10/11/55/923101155.db2.gz QTLJBTIZWXXCNR-LLVKDONJSA-N 2 2 290.371 0.220 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CCc3occc32)C[C@@H](C)[NH2+]1 ZINC001343038134 923176578 /nfs/dbraw/zinc/17/65/78/923176578.db2.gz PXXXDTHGOZSTCZ-GIPNMCIBSA-N 2 2 263.341 0.675 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001343123113 923210676 /nfs/dbraw/zinc/21/06/76/923210676.db2.gz ZAULJQRXLGLGHF-RNWYCLNJSA-N 2 2 260.341 0.851 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001343123113 923210694 /nfs/dbraw/zinc/21/06/94/923210694.db2.gz ZAULJQRXLGLGHF-RNWYCLNJSA-N 2 2 260.341 0.851 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001343148051 923219470 /nfs/dbraw/zinc/21/94/70/923219470.db2.gz VLDIYWIQGQJJDM-BXUZGUMPSA-N 2 2 262.357 0.943 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001343148051 923219480 /nfs/dbraw/zinc/21/94/80/923219480.db2.gz VLDIYWIQGQJJDM-BXUZGUMPSA-N 2 2 262.357 0.943 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](C)C[NH2+]1 ZINC001343459148 923324805 /nfs/dbraw/zinc/32/48/05/923324805.db2.gz OTCUFCGHDIAVLP-NNYUYHANSA-N 2 2 262.357 0.732 20 0 CCADLP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1nccn1C ZINC001420174346 923366849 /nfs/dbraw/zinc/36/68/49/923366849.db2.gz ZOKRDWMSOPXTJY-GFCCVEGCSA-N 2 2 290.371 0.301 20 0 CCADLP C[N@@H+](CCC[C@H]1CCOC1)CCNC(=O)Cn1cc[nH+]c1 ZINC001420361566 923575000 /nfs/dbraw/zinc/57/50/00/923575000.db2.gz HTFOYPSOPZKPFG-AWEZNQCLSA-N 2 2 294.399 0.748 20 0 CCADLP C[N@H+](CCC[C@H]1CCOC1)CCNC(=O)Cn1cc[nH+]c1 ZINC001420361566 923574987 /nfs/dbraw/zinc/57/49/87/923574987.db2.gz HTFOYPSOPZKPFG-AWEZNQCLSA-N 2 2 294.399 0.748 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[N@@H+](C)CCC[C@H](C)O ZINC001420671084 923868779 /nfs/dbraw/zinc/86/87/79/923868779.db2.gz YUAPIHWTNMOFFF-NEPJUHHUSA-N 2 2 296.415 0.858 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[N@H+](C)CCC[C@H](C)O ZINC001420671084 923868795 /nfs/dbraw/zinc/86/87/95/923868795.db2.gz YUAPIHWTNMOFFF-NEPJUHHUSA-N 2 2 296.415 0.858 20 0 CCADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001420813270 923951525 /nfs/dbraw/zinc/95/15/25/923951525.db2.gz BMNLZTJHRZHWCK-OCCSQVGLSA-N 2 2 294.399 0.646 20 0 CCADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001420813270 923951536 /nfs/dbraw/zinc/95/15/36/923951536.db2.gz BMNLZTJHRZHWCK-OCCSQVGLSA-N 2 2 294.399 0.646 20 0 CCADLP CO[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001420950628 924052580 /nfs/dbraw/zinc/05/25/80/924052580.db2.gz CKKSAMHXQFTENU-QJPTWQEYSA-N 2 2 292.383 0.787 20 0 CCADLP CO[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001420950628 924052589 /nfs/dbraw/zinc/05/25/89/924052589.db2.gz CKKSAMHXQFTENU-QJPTWQEYSA-N 2 2 292.383 0.787 20 0 CCADLP COCC[NH+]1CC(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001421069197 924134424 /nfs/dbraw/zinc/13/44/24/924134424.db2.gz DRPHLOSAQLLQLA-UHFFFAOYSA-N 2 2 271.405 0.411 20 0 CCADLP COCC[NH+]1CC(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001421069197 924134429 /nfs/dbraw/zinc/13/44/29/924134429.db2.gz DRPHLOSAQLLQLA-UHFFFAOYSA-N 2 2 271.405 0.411 20 0 CCADLP C[C@H](O)C[NH+]1CCC(C)(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001421157665 924182481 /nfs/dbraw/zinc/18/24/81/924182481.db2.gz ZQUBFVMBNFNQTF-LBPRGKRZSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001348776841 924801615 /nfs/dbraw/zinc/80/16/15/924801615.db2.gz PXBJBBPKZXEYNI-YNEHKIRRSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001348776841 924801627 /nfs/dbraw/zinc/80/16/27/924801627.db2.gz PXBJBBPKZXEYNI-YNEHKIRRSA-N 2 2 269.389 0.341 20 0 CCADLP CC[N@@H+]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001349368721 924941264 /nfs/dbraw/zinc/94/12/64/924941264.db2.gz NWOROMFXQXAEFH-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP CC[N@H+]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001349368721 924941272 /nfs/dbraw/zinc/94/12/72/924941272.db2.gz NWOROMFXQXAEFH-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP CCC1([NH3+])CCN(C(=O)NCc2c[nH+]cn2C)CC1 ZINC001350207498 925144585 /nfs/dbraw/zinc/14/45/85/925144585.db2.gz NWELGRFPTYEWRV-UHFFFAOYSA-N 2 2 265.361 0.833 20 0 CCADLP CC(=O)N1C[C@@H]2C[N@@H+](C[C@@H]([NH3+])CC(F)F)C[C@@H]2C1 ZINC001350646746 925247744 /nfs/dbraw/zinc/24/77/44/925247744.db2.gz LYUCZSCTYSGMBA-AXFHLTTASA-N 2 2 261.316 0.379 20 0 CCADLP CC(=O)N1C[C@@H]2C[N@H+](C[C@@H]([NH3+])CC(F)F)C[C@@H]2C1 ZINC001350646746 925247754 /nfs/dbraw/zinc/24/77/54/925247754.db2.gz LYUCZSCTYSGMBA-AXFHLTTASA-N 2 2 261.316 0.379 20 0 CCADLP CC[C@H](C(=O)NCc1coc(C[NH+](C)C)n1)[NH+](C)C ZINC001350739780 925266944 /nfs/dbraw/zinc/26/69/44/925266944.db2.gz WHQMGUMDHHKQBY-LLVKDONJSA-N 2 2 268.361 0.693 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCO1 ZINC001352836755 925654276 /nfs/dbraw/zinc/65/42/76/925654276.db2.gz PLEAFIVEWSSJAX-XNDJQWLSSA-N 2 2 264.329 0.088 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCO1 ZINC001352836755 925654280 /nfs/dbraw/zinc/65/42/80/925654280.db2.gz PLEAFIVEWSSJAX-XNDJQWLSSA-N 2 2 264.329 0.088 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCO1 ZINC001352836753 925655223 /nfs/dbraw/zinc/65/52/23/925655223.db2.gz PLEAFIVEWSSJAX-DNRKLUKYSA-N 2 2 264.329 0.088 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCO1 ZINC001352836753 925655233 /nfs/dbraw/zinc/65/52/33/925655233.db2.gz PLEAFIVEWSSJAX-DNRKLUKYSA-N 2 2 264.329 0.088 20 0 CCADLP CC(C)CCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001353255196 925774320 /nfs/dbraw/zinc/77/43/20/925774320.db2.gz SAONKXUMOAYMGS-UHFFFAOYSA-N 2 2 256.394 0.755 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCn2cncc2C1)C1CC1 ZINC001353340707 925804339 /nfs/dbraw/zinc/80/43/39/925804339.db2.gz SNJUUMCYTJYTLO-SMDDNHRTSA-N 2 2 264.373 0.243 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCn2cncc2C1)C1CC1 ZINC001353340707 925804344 /nfs/dbraw/zinc/80/43/44/925804344.db2.gz SNJUUMCYTJYTLO-SMDDNHRTSA-N 2 2 264.373 0.243 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001353623622 925887113 /nfs/dbraw/zinc/88/71/13/925887113.db2.gz SVXCTHVXBHPSDW-IRCOFANPSA-N 2 2 262.357 0.910 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001353655767 925896951 /nfs/dbraw/zinc/89/69/51/925896951.db2.gz SFIYPVLBNDCPAI-UKKRHICBSA-N 2 2 266.320 0.340 20 0 CCADLP C/C(=C/C(=O)N1CC([NH+](C)C)C1)C[NH+]1CCOCC1 ZINC001353896310 925956868 /nfs/dbraw/zinc/95/68/68/925956868.db2.gz FETVHAWUEJUHTA-WQLSENKSSA-N 2 2 267.373 0.037 20 0 CCADLP CC(C)OCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001357351480 926514819 /nfs/dbraw/zinc/51/48/19/926514819.db2.gz QXCNTETWMLWYHW-UHFFFAOYSA-N 2 2 272.393 0.134 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001357416758 926527106 /nfs/dbraw/zinc/52/71/06/926527106.db2.gz BQGLOCJONIDHDL-CYBMUJFWSA-N 2 2 263.345 0.458 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3C[NH2+]C[C@H]3C)ccn12 ZINC001358070524 926631325 /nfs/dbraw/zinc/63/13/25/926631325.db2.gz RBNFLKQKLSQGEZ-BXKDBHETSA-N 2 2 258.325 0.980 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1[C@H](C)C[NH2+][C@@H](C)[C@H]1C ZINC001358176610 926651445 /nfs/dbraw/zinc/65/14/45/926651445.db2.gz PGHQFUOEIVYUNK-WCABBAIRSA-N 2 2 250.346 0.858 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1COCC[N@H+]1CC(C)C ZINC001421703293 926863860 /nfs/dbraw/zinc/86/38/60/926863860.db2.gz HDZLBSZOPSKXMJ-AWEZNQCLSA-N 2 2 294.399 0.665 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1COCC[N@@H+]1CC(C)C ZINC001421703293 926863872 /nfs/dbraw/zinc/86/38/72/926863872.db2.gz HDZLBSZOPSKXMJ-AWEZNQCLSA-N 2 2 294.399 0.665 20 0 CCADLP CC[C@@H](F)C[NH2+]C[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001421769355 926901065 /nfs/dbraw/zinc/90/10/65/926901065.db2.gz OBQMBHNLIQIEGD-NWDGAFQWSA-N 2 2 270.352 0.973 20 0 CCADLP CC(C)[C@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]C[C@@H](C)O ZINC001422122474 927084235 /nfs/dbraw/zinc/08/42/35/927084235.db2.gz GPDOANWQCPXNGW-OLZOCXBDSA-N 2 2 296.415 0.464 20 0 CCADLP COC[C@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001422216558 927154206 /nfs/dbraw/zinc/15/42/06/927154206.db2.gz KAPBEVNOPVLSCC-STQMWFEESA-N 2 2 294.399 0.958 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+](C)[C@@H](C)C(N)=O ZINC001422242021 927170489 /nfs/dbraw/zinc/17/04/89/927170489.db2.gz CAGBNMGWRGZSON-QWHCGFSZSA-N 2 2 298.431 0.125 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+](C)[C@@H](C)C(N)=O ZINC001422242021 927170495 /nfs/dbraw/zinc/17/04/95/927170495.db2.gz CAGBNMGWRGZSON-QWHCGFSZSA-N 2 2 298.431 0.125 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)N(C)CC[N@H+](C)[C@@H](C)C(N)=O ZINC001422242021 927170504 /nfs/dbraw/zinc/17/05/04/927170504.db2.gz CAGBNMGWRGZSON-QWHCGFSZSA-N 2 2 298.431 0.125 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)N(C)CC[N@@H+](C)[C@@H](C)C(N)=O ZINC001422242021 927170515 /nfs/dbraw/zinc/17/05/15/927170515.db2.gz CAGBNMGWRGZSON-QWHCGFSZSA-N 2 2 298.431 0.125 20 0 CCADLP C[C@H]1CC[C@H](C[N@H+](C)CCN(C)C(=O)Cn2cc[nH+]c2)O1 ZINC001422248449 927173895 /nfs/dbraw/zinc/17/38/95/927173895.db2.gz PSHLBVZJCVJUQB-UONOGXRCSA-N 2 2 294.399 0.841 20 0 CCADLP C[C@H]1CC[C@H](C[N@@H+](C)CCN(C)C(=O)Cn2cc[nH+]c2)O1 ZINC001422248449 927173902 /nfs/dbraw/zinc/17/39/02/927173902.db2.gz PSHLBVZJCVJUQB-UONOGXRCSA-N 2 2 294.399 0.841 20 0 CCADLP CC(C)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001422347367 927236428 /nfs/dbraw/zinc/23/64/28/927236428.db2.gz LIWBIMXOYHLMML-QWHCGFSZSA-N 2 2 294.399 0.168 20 0 CCADLP C[C@@H]([NH2+]CCO)[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001422386682 927256834 /nfs/dbraw/zinc/25/68/34/927256834.db2.gz VSYDAHKRAWWYGH-MNOVXSKESA-N 2 2 276.340 0.423 20 0 CCADLP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH+](C)C/C=C\Cl ZINC001422489311 927311275 /nfs/dbraw/zinc/31/12/75/927311275.db2.gz TXCBKTAVMPRSBZ-XLMCQVRKSA-N 2 2 289.807 0.506 20 0 CCADLP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH+](C)C/C=C\Cl ZINC001422489311 927311287 /nfs/dbraw/zinc/31/12/87/927311287.db2.gz TXCBKTAVMPRSBZ-XLMCQVRKSA-N 2 2 289.807 0.506 20 0 CCADLP C[C@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@H+](C)C/C=C\Cl ZINC001422489311 927311297 /nfs/dbraw/zinc/31/12/97/927311297.db2.gz TXCBKTAVMPRSBZ-XLMCQVRKSA-N 2 2 289.807 0.506 20 0 CCADLP C[C@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@@H+](C)C/C=C\Cl ZINC001422489311 927311311 /nfs/dbraw/zinc/31/13/11/927311311.db2.gz TXCBKTAVMPRSBZ-XLMCQVRKSA-N 2 2 289.807 0.506 20 0 CCADLP Cc1cc(C[N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C)no1 ZINC001422888529 927572550 /nfs/dbraw/zinc/57/25/50/927572550.db2.gz SYMONCXBNHTDBT-NSHDSACASA-N 2 2 282.388 0.871 20 0 CCADLP Cc1cc(C[N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C)no1 ZINC001422888529 927572561 /nfs/dbraw/zinc/57/25/61/927572561.db2.gz SYMONCXBNHTDBT-NSHDSACASA-N 2 2 282.388 0.871 20 0 CCADLP CC(C)[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]C[C@H](C)O ZINC001422970519 927611780 /nfs/dbraw/zinc/61/17/80/927611780.db2.gz QWHWPMXPIDURBO-WCQYABFASA-N 2 2 282.388 0.454 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1nonc1C ZINC001423164231 927701662 /nfs/dbraw/zinc/70/16/62/927701662.db2.gz SIKBOAFWODSVJP-NSHDSACASA-N 2 2 297.403 0.656 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001423483000 927887149 /nfs/dbraw/zinc/88/71/49/927887149.db2.gz LCTLHBQAWVWQKP-YPMHNXCESA-N 2 2 280.372 0.568 20 0 CCADLP CC[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001423830567 927998761 /nfs/dbraw/zinc/99/87/61/927998761.db2.gz RVVZAQCAAYJJHB-OLZOCXBDSA-N 2 2 283.416 0.290 20 0 CCADLP CC[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001423830567 927998770 /nfs/dbraw/zinc/99/87/70/927998770.db2.gz RVVZAQCAAYJJHB-OLZOCXBDSA-N 2 2 283.416 0.290 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC1(CO)CC[NH+](CC2CC2)CC1 ZINC001424661825 928239267 /nfs/dbraw/zinc/23/92/67/928239267.db2.gz NMXFBFZNUBEQJB-UHFFFAOYSA-N 2 2 292.383 0.305 20 0 CCADLP C[C@H](NC(=O)CCc1[nH+]ccn1C)[C@H](C)[NH2+]CCF ZINC001424802026 928301027 /nfs/dbraw/zinc/30/10/27/928301027.db2.gz JOVLKGYATKQSOL-QWRGUYRKSA-N 2 2 270.352 0.805 20 0 CCADLP CCc1[nH]c(CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)c[nH+]1 ZINC001363600237 929405647 /nfs/dbraw/zinc/40/56/47/929405647.db2.gz GVMYZHMFBFHWMB-AWEZNQCLSA-N 2 2 280.372 0.435 20 0 CCADLP CCc1[nH]c(CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)c[nH+]1 ZINC001363600237 929405657 /nfs/dbraw/zinc/40/56/57/929405657.db2.gz GVMYZHMFBFHWMB-AWEZNQCLSA-N 2 2 280.372 0.435 20 0 CCADLP CCc1[nH]cc(CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)[nH+]1 ZINC001363600237 929405666 /nfs/dbraw/zinc/40/56/66/929405666.db2.gz GVMYZHMFBFHWMB-AWEZNQCLSA-N 2 2 280.372 0.435 20 0 CCADLP CCc1[nH]cc(CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)[nH+]1 ZINC001363600237 929405669 /nfs/dbraw/zinc/40/56/69/929405669.db2.gz GVMYZHMFBFHWMB-AWEZNQCLSA-N 2 2 280.372 0.435 20 0 CCADLP C[C@@H](O)CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC001443679428 929672084 /nfs/dbraw/zinc/67/20/84/929672084.db2.gz OYUGMVYEXSBELX-XBFCOCLRSA-N 2 2 292.383 0.398 20 0 CCADLP C[C@@H](O)CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC001443679428 929672095 /nfs/dbraw/zinc/67/20/95/929672095.db2.gz OYUGMVYEXSBELX-XBFCOCLRSA-N 2 2 292.383 0.398 20 0 CCADLP CO[C@@H](C)C[N@H+](C)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001372032238 929711386 /nfs/dbraw/zinc/71/13/86/929711386.db2.gz RKANPNDMZNPMLZ-STQMWFEESA-N 2 2 294.399 0.528 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001372032238 929711389 /nfs/dbraw/zinc/71/13/89/929711389.db2.gz RKANPNDMZNPMLZ-STQMWFEESA-N 2 2 294.399 0.528 20 0 CCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC[N@H+](C)CCF)CC2 ZINC001372093076 929731213 /nfs/dbraw/zinc/73/12/13/929731213.db2.gz JUVPGAKKHVCKHG-LBPRGKRZSA-N 2 2 282.363 0.771 20 0 CCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC[N@@H+](C)CCF)CC2 ZINC001372093076 929731225 /nfs/dbraw/zinc/73/12/25/929731225.db2.gz JUVPGAKKHVCKHG-LBPRGKRZSA-N 2 2 282.363 0.771 20 0 CCADLP C[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)CC[C@@H]1CCCCO1 ZINC001372164877 929752182 /nfs/dbraw/zinc/75/21/82/929752182.db2.gz KIYJDLVCARCSBU-ZDUSSCGKSA-N 2 2 294.399 0.959 20 0 CCADLP C[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)CC[C@@H]1CCCCO1 ZINC001372164877 929752188 /nfs/dbraw/zinc/75/21/88/929752188.db2.gz KIYJDLVCARCSBU-ZDUSSCGKSA-N 2 2 294.399 0.959 20 0 CCADLP CC[C@@H](C)C[NH2+]C[C@@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001445278709 930084568 /nfs/dbraw/zinc/08/45/68/930084568.db2.gz PCDSEHMFEBPAJV-DGCLKSJQSA-N 2 2 282.388 0.075 20 0 CCADLP COCC[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001373303118 930133450 /nfs/dbraw/zinc/13/34/50/930133450.db2.gz WPKSMUDNMZOARU-GFCCVEGCSA-N 2 2 280.372 0.379 20 0 CCADLP COCC[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001373303118 930133454 /nfs/dbraw/zinc/13/34/54/930133454.db2.gz WPKSMUDNMZOARU-GFCCVEGCSA-N 2 2 280.372 0.379 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+]Cc1cnns1 ZINC001445645395 930193852 /nfs/dbraw/zinc/19/38/52/930193852.db2.gz CGQSLWVYIIFMLL-VIFPVBQESA-N 2 2 294.384 0.338 20 0 CCADLP CCO[C@@H](C[NH+]1CC(NC(=O)C[N@H+](C)C(C)C)C1)C1CC1 ZINC001373490407 930216163 /nfs/dbraw/zinc/21/61/63/930216163.db2.gz UBHSMLKUUBGGTF-HNNXBMFYSA-N 2 2 297.443 0.942 20 0 CCADLP CCO[C@@H](C[NH+]1CC(NC(=O)C[N@@H+](C)C(C)C)C1)C1CC1 ZINC001373490407 930216171 /nfs/dbraw/zinc/21/61/71/930216171.db2.gz UBHSMLKUUBGGTF-HNNXBMFYSA-N 2 2 297.443 0.942 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@@H+]1C[C@@H]1CCCOC1 ZINC001446121935 930339980 /nfs/dbraw/zinc/33/99/80/930339980.db2.gz NYAXPUSIQVJTON-UONOGXRCSA-N 2 2 292.383 0.500 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@H+]1C[C@@H]1CCCOC1 ZINC001446121935 930339987 /nfs/dbraw/zinc/33/99/87/930339987.db2.gz NYAXPUSIQVJTON-UONOGXRCSA-N 2 2 292.383 0.500 20 0 CCADLP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1Cc1cnn(C)c1 ZINC001446122600 930341573 /nfs/dbraw/zinc/34/15/73/930341573.db2.gz FYEXELDKOBHBCN-CQSZACIVSA-N 2 2 293.415 0.452 20 0 CCADLP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]1Cc1cnn(C)c1 ZINC001446122600 930341583 /nfs/dbraw/zinc/34/15/83/930341583.db2.gz FYEXELDKOBHBCN-CQSZACIVSA-N 2 2 293.415 0.452 20 0 CCADLP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1Cc1cnn(C)c1 ZINC001446122600 930341592 /nfs/dbraw/zinc/34/15/92/930341592.db2.gz FYEXELDKOBHBCN-CQSZACIVSA-N 2 2 293.415 0.452 20 0 CCADLP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1Cc1cnn(C)c1 ZINC001446122600 930341601 /nfs/dbraw/zinc/34/16/01/930341601.db2.gz FYEXELDKOBHBCN-CQSZACIVSA-N 2 2 293.415 0.452 20 0 CCADLP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@@H+]1CCOC1CCC1 ZINC001446123074 930343331 /nfs/dbraw/zinc/34/33/31/930343331.db2.gz CWJNOGUUKSLZSI-AWEZNQCLSA-N 2 2 295.427 0.842 20 0 CCADLP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@H+]1CCOC1CCC1 ZINC001446123074 930343347 /nfs/dbraw/zinc/34/33/47/930343347.db2.gz CWJNOGUUKSLZSI-AWEZNQCLSA-N 2 2 295.427 0.842 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001373923987 930372923 /nfs/dbraw/zinc/37/29/23/930372923.db2.gz UUEYQRUKKMHPMV-MGPQQGTHSA-N 2 2 294.399 0.935 20 0 CCADLP O=C([C@H]1CC[C@H]2CCCC[N@@H+]21)N1CC[NH+](CCCO)CC1 ZINC001374103939 930423213 /nfs/dbraw/zinc/42/32/13/930423213.db2.gz MBDOLDRPAQLTFM-HUUCEWRRSA-N 2 2 295.427 0.530 20 0 CCADLP O=C([C@H]1CC[C@H]2CCCC[N@H+]21)N1CC[NH+](CCCO)CC1 ZINC001374103939 930423219 /nfs/dbraw/zinc/42/32/19/930423219.db2.gz MBDOLDRPAQLTFM-HUUCEWRRSA-N 2 2 295.427 0.530 20 0 CCADLP COCC[N@@H+]1CC[C@](C)(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001446554036 930435530 /nfs/dbraw/zinc/43/55/30/930435530.db2.gz BWQJHMPEVLTRLX-HNNXBMFYSA-N 2 2 294.399 0.580 20 0 CCADLP COCC[N@H+]1CC[C@](C)(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001446554036 930435533 /nfs/dbraw/zinc/43/55/33/930435533.db2.gz BWQJHMPEVLTRLX-HNNXBMFYSA-N 2 2 294.399 0.580 20 0 CCADLP CC[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001446849035 930500794 /nfs/dbraw/zinc/50/07/94/930500794.db2.gz IUMCEPPYUWBQMC-ZIAGYGMSSA-N 2 2 297.443 0.680 20 0 CCADLP CC[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001446849035 930500800 /nfs/dbraw/zinc/50/08/00/930500800.db2.gz IUMCEPPYUWBQMC-ZIAGYGMSSA-N 2 2 297.443 0.680 20 0 CCADLP CCC[N@@H+]1CCC[C@](CO)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001447033573 930551845 /nfs/dbraw/zinc/55/18/45/930551845.db2.gz DGSDXBDQCRKABM-HNNXBMFYSA-N 2 2 294.399 0.614 20 0 CCADLP CCC[N@H+]1CCC[C@](CO)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001447033573 930551847 /nfs/dbraw/zinc/55/18/47/930551847.db2.gz DGSDXBDQCRKABM-HNNXBMFYSA-N 2 2 294.399 0.614 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnsn1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001374889506 930714208 /nfs/dbraw/zinc/71/42/08/930714208.db2.gz KOKHQTJFWWRMJN-HOSYDEDBSA-N 2 2 297.428 0.473 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnsn1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001374889506 930714215 /nfs/dbraw/zinc/71/42/15/930714215.db2.gz KOKHQTJFWWRMJN-HOSYDEDBSA-N 2 2 297.428 0.473 20 0 CCADLP C[C@@H](O)C[N@H+](C)C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001447786747 930715206 /nfs/dbraw/zinc/71/52/06/930715206.db2.gz QNXBCKGJRMSVCM-VXGBXAGGSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001447786747 930715210 /nfs/dbraw/zinc/71/52/10/930715210.db2.gz QNXBCKGJRMSVCM-VXGBXAGGSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]CC1CCOCC1 ZINC001447909399 930752711 /nfs/dbraw/zinc/75/27/11/930752711.db2.gz NQUQIQPFJVYUHY-NWDGAFQWSA-N 2 2 294.399 0.862 20 0 CCADLP C[C@@H](O)C[NH2+]CC(C)(C)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001447966045 930764921 /nfs/dbraw/zinc/76/49/21/930764921.db2.gz LRJXGMYXTWYBOA-CYBMUJFWSA-N 2 2 296.415 0.728 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1[C@@H](CC)C(N)=O ZINC001375473286 930893073 /nfs/dbraw/zinc/89/30/73/930893073.db2.gz SWNRMIJLDCTBIZ-STQMWFEESA-N 2 2 298.431 0.125 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1[C@@H](CC)C(N)=O ZINC001375473286 930893078 /nfs/dbraw/zinc/89/30/78/930893078.db2.gz SWNRMIJLDCTBIZ-STQMWFEESA-N 2 2 298.431 0.125 20 0 CCADLP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](CC)C(N)=O ZINC001375473286 930893081 /nfs/dbraw/zinc/89/30/81/930893081.db2.gz SWNRMIJLDCTBIZ-STQMWFEESA-N 2 2 298.431 0.125 20 0 CCADLP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](CC)C(N)=O ZINC001375473286 930893084 /nfs/dbraw/zinc/89/30/84/930893084.db2.gz SWNRMIJLDCTBIZ-STQMWFEESA-N 2 2 298.431 0.125 20 0 CCADLP CC[C@@H](C[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1c[nH+]c[nH]1)OC ZINC001375478271 930894637 /nfs/dbraw/zinc/89/46/37/930894637.db2.gz ZOFYRTZZMLLBNE-KBPBESRZSA-N 2 2 294.399 0.910 20 0 CCADLP CC[C@@H](C[N@H+]1CC[C@H]1CN(C)C(=O)Cc1c[nH+]c[nH]1)OC ZINC001375478271 930894641 /nfs/dbraw/zinc/89/46/41/930894641.db2.gz ZOFYRTZZMLLBNE-KBPBESRZSA-N 2 2 294.399 0.910 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001375511240 930904261 /nfs/dbraw/zinc/90/42/61/930904261.db2.gz MFEMUFDNHYTXJX-RWMBFGLXSA-N 2 2 280.372 0.402 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)C1C[NH+](CCC[C@@H](C)O)C1 ZINC001375717687 930957204 /nfs/dbraw/zinc/95/72/04/930957204.db2.gz ASADUMSTVZARSM-CYBMUJFWSA-N 2 2 285.432 0.632 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)C1C[NH+](CCC[C@@H](C)O)C1 ZINC001375717687 930957214 /nfs/dbraw/zinc/95/72/14/930957214.db2.gz ASADUMSTVZARSM-CYBMUJFWSA-N 2 2 285.432 0.632 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH2+]Cc1cscn1 ZINC001376774768 931265401 /nfs/dbraw/zinc/26/54/01/931265401.db2.gz IKSNJXJAKPYKHH-JTQLQIEISA-N 2 2 293.396 0.943 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1([NH2+]CCO)CCC1 ZINC001376783312 931270783 /nfs/dbraw/zinc/27/07/83/931270783.db2.gz KKVDCDXPQXAZAA-VXGBXAGGSA-N 2 2 292.383 0.144 20 0 CCADLP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1cnon1)[NH+](C)C ZINC001376845040 931302480 /nfs/dbraw/zinc/30/24/80/931302480.db2.gz FOUSWKUUDKSHJR-PWSUYJOCSA-N 2 2 283.376 0.250 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1nonc1C ZINC001376852258 931304298 /nfs/dbraw/zinc/30/42/98/931304298.db2.gz XBZGUHOKPWLQTJ-JTQLQIEISA-N 2 2 283.376 0.314 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1nonc1C ZINC001376852258 931304302 /nfs/dbraw/zinc/30/43/02/931304302.db2.gz XBZGUHOKPWLQTJ-JTQLQIEISA-N 2 2 283.376 0.314 20 0 CCADLP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC(=O)NC(C)(C)C ZINC001377126418 931392327 /nfs/dbraw/zinc/39/23/27/931392327.db2.gz CJUYTGMPUQHKCZ-LBPRGKRZSA-N 2 2 298.431 0.043 20 0 CCADLP C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)CC(=O)NC(C)(C)C ZINC001377126418 931392336 /nfs/dbraw/zinc/39/23/36/931392336.db2.gz CJUYTGMPUQHKCZ-LBPRGKRZSA-N 2 2 298.431 0.043 20 0 CCADLP C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)CC(=O)NC(C)(C)C ZINC001377126418 931392340 /nfs/dbraw/zinc/39/23/40/931392340.db2.gz CJUYTGMPUQHKCZ-LBPRGKRZSA-N 2 2 298.431 0.043 20 0 CCADLP C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)CC(=O)NC(C)(C)C ZINC001377126418 931392344 /nfs/dbraw/zinc/39/23/44/931392344.db2.gz CJUYTGMPUQHKCZ-LBPRGKRZSA-N 2 2 298.431 0.043 20 0 CCADLP CC[NH+]1CCC(NC(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000337469130 214101695 /nfs/dbraw/zinc/10/16/95/214101695.db2.gz OMPRHXXFQGXBCM-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)C[NH+](CC)CC)CCO1 ZINC000337572944 214164512 /nfs/dbraw/zinc/16/45/12/214164512.db2.gz UEBCMVUKQVEGEJ-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)C[NH+](CC)CC)CCO1 ZINC000337572944 214164515 /nfs/dbraw/zinc/16/45/15/214164515.db2.gz UEBCMVUKQVEGEJ-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP C[C@H](c1cccnc1)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093235847 349533728 /nfs/dbraw/zinc/53/37/28/349533728.db2.gz SEXGCBKHZAQZQK-CYBMUJFWSA-N 2 2 276.384 0.848 20 0 CCADLP C[C@H](c1cccnc1)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093235847 349533732 /nfs/dbraw/zinc/53/37/32/349533732.db2.gz SEXGCBKHZAQZQK-CYBMUJFWSA-N 2 2 276.384 0.848 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)NCC(C)(C)[NH3+])CCO1 ZINC000418415073 529391752 /nfs/dbraw/zinc/39/17/52/529391752.db2.gz MUGKAIITHRFXLP-LLVKDONJSA-N 2 2 272.393 0.134 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCC(C)(C)[NH3+])CCO1 ZINC000418415073 529391756 /nfs/dbraw/zinc/39/17/56/529391756.db2.gz MUGKAIITHRFXLP-LLVKDONJSA-N 2 2 272.393 0.134 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000418604329 529392732 /nfs/dbraw/zinc/39/27/32/529392732.db2.gz OPCHECHNGMYYFP-HZSPNIEDSA-N 2 2 298.431 0.537 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000418604329 529392734 /nfs/dbraw/zinc/39/27/34/529392734.db2.gz OPCHECHNGMYYFP-HZSPNIEDSA-N 2 2 298.431 0.537 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000417920883 529450848 /nfs/dbraw/zinc/45/08/48/529450848.db2.gz HGODAUJLVFQEPS-RYUDHWBXSA-N 2 2 277.372 0.697 20 0 CCADLP CC[N@H+](CCNC(=O)NCC[NH+]1CCOCC1)C1CC1 ZINC000101972190 349673197 /nfs/dbraw/zinc/67/31/97/349673197.db2.gz ZTIYYKRGRZUAOI-UHFFFAOYSA-N 2 2 284.404 0.102 20 0 CCADLP CC[N@@H+](CCNC(=O)NCC[NH+]1CCOCC1)C1CC1 ZINC000101972190 349673201 /nfs/dbraw/zinc/67/32/01/349673201.db2.gz ZTIYYKRGRZUAOI-UHFFFAOYSA-N 2 2 284.404 0.102 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000493778865 529558081 /nfs/dbraw/zinc/55/80/81/529558081.db2.gz NCHSSKXATKPENG-XOULXFPDSA-N 2 2 284.310 0.982 20 0 CCADLP Cc1ccc(CNC(=O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000107579316 349738711 /nfs/dbraw/zinc/73/87/11/349738711.db2.gz QLKYTXKMNAEKIL-HUUCEWRRSA-N 2 2 273.380 0.762 20 0 CCADLP Cc1cccn2c(=O)cc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)nc12 ZINC000107855591 349741661 /nfs/dbraw/zinc/74/16/61/349741661.db2.gz UHZRQDJJJBTPGC-CHWSQXEVSA-N 2 2 284.363 0.654 20 0 CCADLP O=c1[nH]c2ccccc2n1CCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107855723 349741698 /nfs/dbraw/zinc/74/16/98/349741698.db2.gz IENNQEHZWOHEOS-BETUJISGSA-N 2 2 286.379 0.871 20 0 CCADLP O=c1[nH]c2ccccc2n1CCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107855723 349741700 /nfs/dbraw/zinc/74/17/00/349741700.db2.gz IENNQEHZWOHEOS-BETUJISGSA-N 2 2 286.379 0.871 20 0 CCADLP CN(C)C(=O)C[N@@H+]1CCCN(Cc2[nH]cc[nH+]2)CC1 ZINC000111200629 349767040 /nfs/dbraw/zinc/76/70/40/349767040.db2.gz DVRMABCJOREEDH-UHFFFAOYSA-N 2 2 265.361 0.006 20 0 CCADLP CN(C)C(=O)C[N@H+]1CCCN(Cc2[nH]cc[nH+]2)CC1 ZINC000111200629 349767041 /nfs/dbraw/zinc/76/70/41/349767041.db2.gz DVRMABCJOREEDH-UHFFFAOYSA-N 2 2 265.361 0.006 20 0 CCADLP Cc1n[nH]cc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000112839309 349794258 /nfs/dbraw/zinc/79/42/58/349794258.db2.gz KFDZTXCHWTYTCV-OLZOCXBDSA-N 2 2 250.346 0.671 20 0 CCADLP Cc1n[nH]cc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000112839309 349794260 /nfs/dbraw/zinc/79/42/60/349794260.db2.gz KFDZTXCHWTYTCV-OLZOCXBDSA-N 2 2 250.346 0.671 20 0 CCADLP CC[N@H+](CC[NH3+])CCC(=O)NC(=O)NCC(F)(F)F ZINC000600718048 362044976 /nfs/dbraw/zinc/04/49/76/362044976.db2.gz FMRMOFONCWZPSU-UHFFFAOYSA-N 2 2 284.282 0.045 20 0 CCADLP CC[N@@H+](CC[NH3+])CCC(=O)NC(=O)NCC(F)(F)F ZINC000600718048 362044980 /nfs/dbraw/zinc/04/49/80/362044980.db2.gz FMRMOFONCWZPSU-UHFFFAOYSA-N 2 2 284.282 0.045 20 0 CCADLP CCC(CC)[C@@H](C(=O)N1CC[NH2+][C@H](C)C1)[NH+]1CCOCC1 ZINC000155152377 282221747 /nfs/dbraw/zinc/22/17/47/282221747.db2.gz QYBKGRWEZMBQPB-HIFRSBDPSA-N 2 2 297.443 0.944 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000600974352 362109702 /nfs/dbraw/zinc/10/97/02/362109702.db2.gz DXBRZEGWAPBQCS-CYBMUJFWSA-N 2 2 251.374 0.777 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000600974352 362109709 /nfs/dbraw/zinc/10/97/09/362109709.db2.gz DXBRZEGWAPBQCS-CYBMUJFWSA-N 2 2 251.374 0.777 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617718638 365722922 /nfs/dbraw/zinc/72/29/22/365722922.db2.gz AUFATRAXUWXCBR-FRRDWIJNSA-N 2 2 294.399 0.814 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617718638 365722926 /nfs/dbraw/zinc/72/29/26/365722926.db2.gz AUFATRAXUWXCBR-FRRDWIJNSA-N 2 2 294.399 0.814 20 0 CCADLP C[NH+](C)[C@H]1CCN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000332903339 282262794 /nfs/dbraw/zinc/26/27/94/282262794.db2.gz QTOOUEWSXZKPLH-QWRGUYRKSA-N 2 2 277.372 0.613 20 0 CCADLP C[NH+](C)[C@H]1CCN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000332903339 282262795 /nfs/dbraw/zinc/26/27/95/282262795.db2.gz QTOOUEWSXZKPLH-QWRGUYRKSA-N 2 2 277.372 0.613 20 0 CCADLP O=C(C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2)NC(=O)NC1CCCC1 ZINC000601333786 362229855 /nfs/dbraw/zinc/22/98/55/362229855.db2.gz VANCWZXXJFALRK-ABAIWWIYSA-N 2 2 294.399 0.487 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601334473 362230719 /nfs/dbraw/zinc/23/07/19/362230719.db2.gz LBETVFBASKNTAI-CHWSQXEVSA-N 2 2 296.415 0.542 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601334473 362230722 /nfs/dbraw/zinc/23/07/22/362230722.db2.gz LBETVFBASKNTAI-CHWSQXEVSA-N 2 2 296.415 0.542 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(O)cc1O ZINC000617764629 365768596 /nfs/dbraw/zinc/76/85/96/365768596.db2.gz AMPVOJXKZSPVJZ-UHFFFAOYSA-N 2 2 295.383 0.711 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(O)cc1O ZINC000617764629 365768600 /nfs/dbraw/zinc/76/86/00/365768600.db2.gz AMPVOJXKZSPVJZ-UHFFFAOYSA-N 2 2 295.383 0.711 20 0 CCADLP COc1cncc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000617764866 365768644 /nfs/dbraw/zinc/76/86/44/365768644.db2.gz JTAGPFKFZZNFDF-UHFFFAOYSA-N 2 2 295.387 0.099 20 0 CCADLP COc1cncc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000617764866 365768649 /nfs/dbraw/zinc/76/86/49/365768649.db2.gz JTAGPFKFZZNFDF-UHFFFAOYSA-N 2 2 295.387 0.099 20 0 CCADLP Cc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)[nH]n1 ZINC000617767435 365773730 /nfs/dbraw/zinc/77/37/30/365773730.db2.gz VFBJETZSYTVKLM-UHFFFAOYSA-N 2 2 267.377 0.331 20 0 CCADLP Cc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)[nH]n1 ZINC000617767435 365773736 /nfs/dbraw/zinc/77/37/36/365773736.db2.gz VFBJETZSYTVKLM-UHFFFAOYSA-N 2 2 267.377 0.331 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(CO)cc1 ZINC000617768413 365773994 /nfs/dbraw/zinc/77/39/94/365773994.db2.gz BPOQRYXKGRGEJV-UHFFFAOYSA-N 2 2 293.411 0.792 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(CO)cc1 ZINC000617768413 365773995 /nfs/dbraw/zinc/77/39/95/365773995.db2.gz BPOQRYXKGRGEJV-UHFFFAOYSA-N 2 2 293.411 0.792 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@]1(C)CCCO1 ZINC000617765995 365771102 /nfs/dbraw/zinc/77/11/02/365771102.db2.gz YNSUGJFJTAKQAI-CQSZACIVSA-N 2 2 271.405 0.555 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@]1(C)CCCO1 ZINC000617765995 365771103 /nfs/dbraw/zinc/77/11/03/365771103.db2.gz YNSUGJFJTAKQAI-CQSZACIVSA-N 2 2 271.405 0.555 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]Cc2ccc(C(N)=O)cc2)n1C ZINC000425364359 529810335 /nfs/dbraw/zinc/81/03/35/529810335.db2.gz ZEARFSMXCFAZOP-UHFFFAOYSA-N 2 2 287.367 0.875 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCc3n[nH]cc3C2)n1C ZINC000425361192 529810650 /nfs/dbraw/zinc/81/06/50/529810650.db2.gz TWURHGRXHVPFNG-LLVKDONJSA-N 2 2 274.372 0.856 20 0 CCADLP C[C@@H](C(=O)N(C)C)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000115739218 349860209 /nfs/dbraw/zinc/86/02/09/349860209.db2.gz XOKFAJRCQHGZBD-LBPRGKRZSA-N 2 2 271.405 0.242 20 0 CCADLP C[C@@H](C(=O)N(C)C)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000115739218 349860214 /nfs/dbraw/zinc/86/02/14/349860214.db2.gz XOKFAJRCQHGZBD-LBPRGKRZSA-N 2 2 271.405 0.242 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@H]([NH3+])C1CCC1 ZINC000423825229 529898534 /nfs/dbraw/zinc/89/85/34/529898534.db2.gz KPOSQLGOKVESHV-GFCCVEGCSA-N 2 2 250.346 0.859 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000423744546 529910837 /nfs/dbraw/zinc/91/08/37/529910837.db2.gz LMZJWWIUQAUMBL-ZIAGYGMSSA-N 2 2 283.416 0.685 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000423744543 529911037 /nfs/dbraw/zinc/91/10/37/529911037.db2.gz LMZJWWIUQAUMBL-KGLIPLIRSA-N 2 2 283.416 0.685 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000423746387 529911187 /nfs/dbraw/zinc/91/11/87/529911187.db2.gz RDKOQCHDIWIFRN-ILXRZTDVSA-N 2 2 295.427 0.698 20 0 CCADLP O=C(NCCc1cn2ccccc2[nH+]1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000573547799 334946066 /nfs/dbraw/zinc/94/60/66/334946066.db2.gz LSEXHWAEZCOUBA-OCCSQVGLSA-N 2 2 299.378 0.880 20 0 CCADLP CN(CC[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000451137148 529932073 /nfs/dbraw/zinc/93/20/73/529932073.db2.gz HMSOWVWXBDHGDW-KFWWJZLASA-N 2 2 267.417 0.876 20 0 CCADLP CN(CC[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000451137148 529932074 /nfs/dbraw/zinc/93/20/74/529932074.db2.gz HMSOWVWXBDHGDW-KFWWJZLASA-N 2 2 267.417 0.876 20 0 CCADLP CN(CC[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000451137148 529932075 /nfs/dbraw/zinc/93/20/75/529932075.db2.gz HMSOWVWXBDHGDW-KFWWJZLASA-N 2 2 267.417 0.876 20 0 CCADLP C[NH+](C)C[C@H]1CCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000127072264 187280861 /nfs/dbraw/zinc/28/08/61/187280861.db2.gz SGHXJBVCKXKHOJ-GFCCVEGCSA-N 2 2 265.361 0.476 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H]([C@H](O)C(F)(F)F)C1)C1CC1 ZINC000451890362 529960245 /nfs/dbraw/zinc/96/02/45/529960245.db2.gz NDLWGQQSSIRWLF-USWWRNFRSA-N 2 2 296.333 0.687 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H]([C@H](O)C(F)(F)F)C1)C1CC1 ZINC000451890362 529960247 /nfs/dbraw/zinc/96/02/47/529960247.db2.gz NDLWGQQSSIRWLF-USWWRNFRSA-N 2 2 296.333 0.687 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1)C1CC1 ZINC000451890362 529960248 /nfs/dbraw/zinc/96/02/48/529960248.db2.gz NDLWGQQSSIRWLF-USWWRNFRSA-N 2 2 296.333 0.687 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1)C1CC1 ZINC000451890362 529960249 /nfs/dbraw/zinc/96/02/49/529960249.db2.gz NDLWGQQSSIRWLF-USWWRNFRSA-N 2 2 296.333 0.687 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418398914 529982929 /nfs/dbraw/zinc/98/29/29/529982929.db2.gz WPYPOZNILNTJCO-UPJWGTAASA-N 2 2 284.404 0.004 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418398914 529982931 /nfs/dbraw/zinc/98/29/31/529982931.db2.gz WPYPOZNILNTJCO-UPJWGTAASA-N 2 2 284.404 0.004 20 0 CCADLP C[NH2+][C@@H]1CCCN(C(=O)NCc2c[nH+]ccc2OC)C1 ZINC000418220491 530044096 /nfs/dbraw/zinc/04/40/96/530044096.db2.gz UQQGZEBTSMDYPN-GFCCVEGCSA-N 2 2 278.356 0.984 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456211460 530062066 /nfs/dbraw/zinc/06/20/66/530062066.db2.gz FVBYZIFNNHZIEH-XQQFMLRXSA-N 2 2 267.373 0.060 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456211460 530062067 /nfs/dbraw/zinc/06/20/67/530062067.db2.gz FVBYZIFNNHZIEH-XQQFMLRXSA-N 2 2 267.373 0.060 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456211460 530062068 /nfs/dbraw/zinc/06/20/68/530062068.db2.gz FVBYZIFNNHZIEH-XQQFMLRXSA-N 2 2 267.373 0.060 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456211460 530062069 /nfs/dbraw/zinc/06/20/69/530062069.db2.gz FVBYZIFNNHZIEH-XQQFMLRXSA-N 2 2 267.373 0.060 20 0 CCADLP C[C@H](C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)[NH+]1CCOCC1 ZINC000342718770 232035367 /nfs/dbraw/zinc/03/53/67/232035367.db2.gz GTZMLJCBDUZDKN-RQJABVFESA-N 2 2 281.400 0.293 20 0 CCADLP COc1ccsc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358135883 232047582 /nfs/dbraw/zinc/04/75/82/232047582.db2.gz KSTXQVVERZLAAX-LBPRGKRZSA-N 2 2 256.371 0.913 20 0 CCADLP COc1ccsc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358135883 232047586 /nfs/dbraw/zinc/04/75/86/232047586.db2.gz KSTXQVVERZLAAX-LBPRGKRZSA-N 2 2 256.371 0.913 20 0 CCADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000602125355 362506629 /nfs/dbraw/zinc/50/66/29/362506629.db2.gz JDBHRBQEUPHHTM-RYUDHWBXSA-N 2 2 294.355 0.094 20 0 CCADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000602125355 362506633 /nfs/dbraw/zinc/50/66/33/362506633.db2.gz JDBHRBQEUPHHTM-RYUDHWBXSA-N 2 2 294.355 0.094 20 0 CCADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000602125355 362506640 /nfs/dbraw/zinc/50/66/40/362506640.db2.gz JDBHRBQEUPHHTM-RYUDHWBXSA-N 2 2 294.355 0.094 20 0 CCADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000602125355 362506644 /nfs/dbraw/zinc/50/66/44/362506644.db2.gz JDBHRBQEUPHHTM-RYUDHWBXSA-N 2 2 294.355 0.094 20 0 CCADLP C[C@@H](O)C[N@H+](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000361512734 232143540 /nfs/dbraw/zinc/14/35/40/232143540.db2.gz PNSNTKOHDDXJIW-CYBMUJFWSA-N 2 2 295.383 0.236 20 0 CCADLP C[C@@H](O)C[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000361512734 232143544 /nfs/dbraw/zinc/14/35/44/232143544.db2.gz PNSNTKOHDDXJIW-CYBMUJFWSA-N 2 2 295.383 0.236 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000602330856 362589296 /nfs/dbraw/zinc/58/92/96/362589296.db2.gz WIMFXFKEAIBPFE-CQSZACIVSA-N 3 2 296.459 0.613 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000602330856 362589300 /nfs/dbraw/zinc/58/93/00/362589300.db2.gz WIMFXFKEAIBPFE-CQSZACIVSA-N 3 2 296.459 0.613 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602330856 362589305 /nfs/dbraw/zinc/58/93/05/362589305.db2.gz WIMFXFKEAIBPFE-CQSZACIVSA-N 3 2 296.459 0.613 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602330856 362589310 /nfs/dbraw/zinc/58/93/10/362589310.db2.gz WIMFXFKEAIBPFE-CQSZACIVSA-N 3 2 296.459 0.613 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N1CC[N@H+](CCC(=O)OC)[C@H](C)C1 ZINC000602502495 362648141 /nfs/dbraw/zinc/64/81/41/362648141.db2.gz LERIDDIEUJGVJR-VXGBXAGGSA-N 2 2 285.388 0.080 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N1CC[N@@H+](CCC(=O)OC)[C@H](C)C1 ZINC000602502495 362648143 /nfs/dbraw/zinc/64/81/43/362648143.db2.gz LERIDDIEUJGVJR-VXGBXAGGSA-N 2 2 285.388 0.080 20 0 CCADLP CC(C)n1nccc1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000684373008 545658069 /nfs/dbraw/zinc/65/80/69/545658069.db2.gz WEBRORGGELQCAQ-UHFFFAOYSA-N 2 2 279.388 0.328 20 0 CCADLP Cc1nccc(C[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)n1 ZINC000339245361 215038104 /nfs/dbraw/zinc/03/81/04/215038104.db2.gz CUKNIBLMXFGWGN-OAHLLOKOSA-N 2 2 278.400 0.967 20 0 CCADLP CC(=O)C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000602788429 362800504 /nfs/dbraw/zinc/80/05/04/362800504.db2.gz WTWJPHRDZFXIDN-AWEZNQCLSA-N 2 2 253.390 0.676 20 0 CCADLP CC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000602788429 362800513 /nfs/dbraw/zinc/80/05/13/362800513.db2.gz WTWJPHRDZFXIDN-AWEZNQCLSA-N 2 2 253.390 0.676 20 0 CCADLP COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1CCc1c[nH+]cn1C ZINC000602799208 362808143 /nfs/dbraw/zinc/80/81/43/362808143.db2.gz BSGBDPKYHVPIDC-OLZOCXBDSA-N 2 2 281.356 0.615 20 0 CCADLP COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1CCc1c[nH+]cn1C ZINC000602799208 362808147 /nfs/dbraw/zinc/80/81/47/362808147.db2.gz BSGBDPKYHVPIDC-OLZOCXBDSA-N 2 2 281.356 0.615 20 0 CCADLP COC(=O)C[C@@H]1COCC[N@@H+]1CCc1c[nH+]cn1C ZINC000602828613 362823468 /nfs/dbraw/zinc/82/34/68/362823468.db2.gz OTDLXERZGMDQKO-GFCCVEGCSA-N 2 2 267.329 0.227 20 0 CCADLP COC(=O)C[C@@H]1COCC[N@H+]1CCc1c[nH+]cn1C ZINC000602828613 362823470 /nfs/dbraw/zinc/82/34/70/362823470.db2.gz OTDLXERZGMDQKO-GFCCVEGCSA-N 2 2 267.329 0.227 20 0 CCADLP NC(=O)c1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000252668359 137003575 /nfs/dbraw/zinc/00/35/75/137003575.db2.gz VNXUHFKTYFGZRX-GJZGRUSLSA-N 2 2 289.379 0.738 20 0 CCADLP NC(=O)c1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000252668359 137003576 /nfs/dbraw/zinc/00/35/76/137003576.db2.gz VNXUHFKTYFGZRX-GJZGRUSLSA-N 2 2 289.379 0.738 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000252716601 137003960 /nfs/dbraw/zinc/00/39/60/137003960.db2.gz YVTMNOOLVVFGLW-HZSPNIEDSA-N 3 2 255.406 0.373 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000252716601 137003961 /nfs/dbraw/zinc/00/39/61/137003961.db2.gz YVTMNOOLVVFGLW-HZSPNIEDSA-N 3 2 255.406 0.373 20 0 CCADLP Brc1cnn(CC[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000261528759 137006498 /nfs/dbraw/zinc/00/64/98/137006498.db2.gz NMASIIIBAVFXHV-SECBINFHSA-N 2 2 259.151 0.597 20 0 CCADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261577461 137009662 /nfs/dbraw/zinc/00/96/62/137009662.db2.gz OJYMBCGNDAJCDY-JSGCOSHPSA-N 2 2 253.390 0.833 20 0 CCADLP CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261577461 137009663 /nfs/dbraw/zinc/00/96/63/137009663.db2.gz OJYMBCGNDAJCDY-JSGCOSHPSA-N 2 2 253.390 0.833 20 0 CCADLP O=C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)NC1CCCC1 ZINC000261593893 137011437 /nfs/dbraw/zinc/01/14/37/137011437.db2.gz ZLFYKNZQTAFSCE-AWEZNQCLSA-N 2 2 251.374 0.731 20 0 CCADLP O=C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)NC1CCCC1 ZINC000261593893 137011438 /nfs/dbraw/zinc/01/14/38/137011438.db2.gz ZLFYKNZQTAFSCE-AWEZNQCLSA-N 2 2 251.374 0.731 20 0 CCADLP COC[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000262401952 137042104 /nfs/dbraw/zinc/04/21/04/137042104.db2.gz ZTCFYDBSFBCVDI-JSGCOSHPSA-N 2 2 292.383 0.261 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262514825 137045701 /nfs/dbraw/zinc/04/57/01/137045701.db2.gz KAXXUDNEFZXGSC-IJEWVQPXSA-N 2 2 295.427 0.603 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)N(C)CC[NH+]1CCOCC1 ZINC000262703193 137051351 /nfs/dbraw/zinc/05/13/51/137051351.db2.gz KGKNPMYXNBYPBK-ZDUSSCGKSA-N 2 2 257.378 0.295 20 0 CCADLP Cn1ccc(N2CCC[C@@H]([N@@H+]3CC[C@](C)(C[NH3+])C3)C2=O)n1 ZINC000261702963 137016623 /nfs/dbraw/zinc/01/66/23/137016623.db2.gz LTCNNVFXDVUGPP-IUODEOHRSA-N 2 2 291.399 0.586 20 0 CCADLP Cn1ccc(N2CCC[C@@H]([N@H+]3CC[C@](C)(C[NH3+])C3)C2=O)n1 ZINC000261702963 137016624 /nfs/dbraw/zinc/01/66/24/137016624.db2.gz LTCNNVFXDVUGPP-IUODEOHRSA-N 2 2 291.399 0.586 20 0 CCADLP CCCn1cc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000261747980 137018245 /nfs/dbraw/zinc/01/82/45/137018245.db2.gz MPYLCYDPFRRDQZ-OAHLLOKOSA-N 2 2 277.416 0.773 20 0 CCADLP CC(C)C[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261792314 137020374 /nfs/dbraw/zinc/02/03/74/137020374.db2.gz GHMLXRZEIIYGKQ-OLZOCXBDSA-N 2 2 253.390 0.833 20 0 CCADLP CC(C)C[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261792314 137020375 /nfs/dbraw/zinc/02/03/75/137020375.db2.gz GHMLXRZEIIYGKQ-OLZOCXBDSA-N 2 2 253.390 0.833 20 0 CCADLP [NH3+][C@H](CC1CCCCC1)C(=O)N1CC[NH+](CCO)CC1 ZINC000261834927 137022120 /nfs/dbraw/zinc/02/21/20/137022120.db2.gz VBTXFLDLSWVAHI-CQSZACIVSA-N 2 2 283.416 0.421 20 0 CCADLP C[C@H](CNC(=O)CC[C@@H]1CC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000261840747 137022230 /nfs/dbraw/zinc/02/22/30/137022230.db2.gz NUFOISLEDLKJGP-ZIAGYGMSSA-N 2 2 282.432 0.128 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000618191447 365922915 /nfs/dbraw/zinc/92/29/15/365922915.db2.gz DQBJYPNGLPFWMX-UHFFFAOYSA-N 2 2 285.351 0.901 20 0 CCADLP C[NH2+][C@@H](C)CNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000261863866 137023121 /nfs/dbraw/zinc/02/31/21/137023121.db2.gz YVYYFUWJAPWCGX-ZDUSSCGKSA-N 2 2 291.395 0.857 20 0 CCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C[C@@H](C)[NH3+] ZINC000261879128 137023976 /nfs/dbraw/zinc/02/39/76/137023976.db2.gz SVGYCOKIDBJNBC-SNVBAGLBSA-N 2 2 278.356 0.902 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000261984473 137027669 /nfs/dbraw/zinc/02/76/69/137027669.db2.gz MLBZDRKWZKUSID-KGLIPLIRSA-N 2 2 299.415 0.062 20 0 CCADLP CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C[C@H]1CCCO1 ZINC000311126596 137074341 /nfs/dbraw/zinc/07/43/41/137074341.db2.gz YUVIVFVQTIXCFM-UONOGXRCSA-N 2 2 256.390 0.942 20 0 CCADLP CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C[C@H]1CCCO1 ZINC000311126596 137074342 /nfs/dbraw/zinc/07/43/42/137074342.db2.gz YUVIVFVQTIXCFM-UONOGXRCSA-N 2 2 256.390 0.942 20 0 CCADLP CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C[C@H]1CCCO1 ZINC000311126596 137074343 /nfs/dbraw/zinc/07/43/43/137074343.db2.gz YUVIVFVQTIXCFM-UONOGXRCSA-N 2 2 256.390 0.942 20 0 CCADLP CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C[C@H]1CCCO1 ZINC000311126596 137074344 /nfs/dbraw/zinc/07/43/44/137074344.db2.gz YUVIVFVQTIXCFM-UONOGXRCSA-N 2 2 256.390 0.942 20 0 CCADLP CCCCc1noc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)n1 ZINC000314092996 137078790 /nfs/dbraw/zinc/07/87/90/137078790.db2.gz HYQSUKVZTRMFRK-CYBMUJFWSA-N 2 2 293.415 0.892 20 0 CCADLP CCCCc1noc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)n1 ZINC000314092996 137078791 /nfs/dbraw/zinc/07/87/91/137078791.db2.gz HYQSUKVZTRMFRK-CYBMUJFWSA-N 2 2 293.415 0.892 20 0 CCADLP COCCN1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000328298619 137080014 /nfs/dbraw/zinc/08/00/14/137080014.db2.gz WWGFGHSBBUGCHF-MJBXVCDLSA-N 2 2 255.406 0.779 20 0 CCADLP COCCN1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000328298619 137080015 /nfs/dbraw/zinc/08/00/15/137080015.db2.gz WWGFGHSBBUGCHF-MJBXVCDLSA-N 2 2 255.406 0.779 20 0 CCADLP CCc1nc(N2CC[N@H+](CCO)[C@H](C)C2)cc(C)[nH+]1 ZINC000343025682 137110614 /nfs/dbraw/zinc/11/06/14/137110614.db2.gz FWSRVFXMEKWMTR-GFCCVEGCSA-N 2 2 264.373 0.850 20 0 CCADLP CCc1nc(N2CC[N@@H+](CCO)[C@H](C)C2)cc(C)[nH+]1 ZINC000343025682 137110615 /nfs/dbraw/zinc/11/06/15/137110615.db2.gz FWSRVFXMEKWMTR-GFCCVEGCSA-N 2 2 264.373 0.850 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000343082754 137114075 /nfs/dbraw/zinc/11/40/75/137114075.db2.gz YQQDJGBRCJNGED-LLVKDONJSA-N 2 2 262.357 0.861 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000343082754 137114076 /nfs/dbraw/zinc/11/40/76/137114076.db2.gz YQQDJGBRCJNGED-LLVKDONJSA-N 2 2 262.357 0.861 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000343082754 137114077 /nfs/dbraw/zinc/11/40/77/137114077.db2.gz YQQDJGBRCJNGED-LLVKDONJSA-N 2 2 262.357 0.861 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000343082754 137114078 /nfs/dbraw/zinc/11/40/78/137114078.db2.gz YQQDJGBRCJNGED-LLVKDONJSA-N 2 2 262.357 0.861 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCNC(=O)c1ccccc1 ZINC000343165840 137118522 /nfs/dbraw/zinc/11/85/22/137118522.db2.gz VNVWHAHXLATOAK-GXTWGEPZSA-N 2 2 261.369 0.956 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCNC(=O)c1ccccc1 ZINC000343165840 137118523 /nfs/dbraw/zinc/11/85/23/137118523.db2.gz VNVWHAHXLATOAK-GXTWGEPZSA-N 2 2 261.369 0.956 20 0 CCADLP C[C@@H]1[C@@H](Nc2cc(-n3cccn3)nc(N)[nH+]2)CCC[N@@H+]1C ZINC000343473450 137137595 /nfs/dbraw/zinc/13/75/95/137137595.db2.gz KSKYLRYKEUWCRJ-MNOVXSKESA-N 2 2 287.371 0.969 20 0 CCADLP C[C@@H]1[C@@H](Nc2cc(-n3cccn3)nc(N)[nH+]2)CCC[N@H+]1C ZINC000343473450 137137596 /nfs/dbraw/zinc/13/75/96/137137596.db2.gz KSKYLRYKEUWCRJ-MNOVXSKESA-N 2 2 287.371 0.969 20 0 CCADLP CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000343304019 137126458 /nfs/dbraw/zinc/12/64/58/137126458.db2.gz PENZPNMWARCEIE-LBPRGKRZSA-N 2 2 286.401 0.287 20 0 CCADLP CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000343304019 137126459 /nfs/dbraw/zinc/12/64/59/137126459.db2.gz PENZPNMWARCEIE-LBPRGKRZSA-N 2 2 286.401 0.287 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000343381448 137131707 /nfs/dbraw/zinc/13/17/07/137131707.db2.gz ZQAGKQZHIONVTN-MRVWCRGKSA-N 2 2 281.400 0.164 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000343381448 137131708 /nfs/dbraw/zinc/13/17/08/137131708.db2.gz ZQAGKQZHIONVTN-MRVWCRGKSA-N 2 2 281.400 0.164 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000343381448 137131709 /nfs/dbraw/zinc/13/17/09/137131709.db2.gz ZQAGKQZHIONVTN-MRVWCRGKSA-N 2 2 281.400 0.164 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000343381448 137131710 /nfs/dbraw/zinc/13/17/10/137131710.db2.gz ZQAGKQZHIONVTN-MRVWCRGKSA-N 2 2 281.400 0.164 20 0 CCADLP C[C@@H](CNC(=O)CCc1[nH]cc[nH+]1)C[NH+]1CCOCC1 ZINC000344205984 137183382 /nfs/dbraw/zinc/18/33/82/137183382.db2.gz RKIWHBOVPQOWMZ-LBPRGKRZSA-N 2 2 280.372 0.427 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000344470222 137196152 /nfs/dbraw/zinc/19/61/52/137196152.db2.gz GNCDYMCSWWSFKK-PWSUYJOCSA-N 2 2 266.345 0.075 20 0 CCADLP Cc1cccc(NC(=O)C[NH+]2CCN(CC[NH3+])CC2)c1C ZINC000019688119 348067334 /nfs/dbraw/zinc/06/73/34/348067334.db2.gz SSZSXYAJLWZVJK-UHFFFAOYSA-N 2 2 290.411 0.818 20 0 CCADLP [NH3+]CC(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000019687540 348067345 /nfs/dbraw/zinc/06/73/45/348067345.db2.gz IMJJITGCMQCYKI-UHFFFAOYSA-N 2 2 267.760 0.943 20 0 CCADLP O=C(C1CC[NH2+]CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000019411768 348060735 /nfs/dbraw/zinc/06/07/35/348060735.db2.gz NXEQSVHJBDUGED-UHFFFAOYSA-N 2 2 274.368 0.730 20 0 CCADLP [NH3+][C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000019437458 348062196 /nfs/dbraw/zinc/06/21/96/348062196.db2.gz BPWQWFIOURQEFB-CYBMUJFWSA-N 2 2 263.341 0.135 20 0 CCADLP COCCCn1nccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000339410464 215155728 /nfs/dbraw/zinc/15/57/28/215155728.db2.gz UCXDSLMBVDOXFL-STQMWFEESA-N 2 2 264.373 0.571 20 0 CCADLP CC(C)([NH3+])C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000040925611 348245945 /nfs/dbraw/zinc/24/59/45/348245945.db2.gz NGBQYUSKPYDNLG-UHFFFAOYSA-N 2 2 278.356 0.272 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000042242292 348270812 /nfs/dbraw/zinc/27/08/12/348270812.db2.gz CHIJEFJTKDQMGE-BETUJISGSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000042242292 348270815 /nfs/dbraw/zinc/27/08/15/348270815.db2.gz CHIJEFJTKDQMGE-BETUJISGSA-N 2 2 295.427 0.839 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@H]([NH3+])CC(F)F)CCO1 ZINC000345705292 137247005 /nfs/dbraw/zinc/24/70/05/137247005.db2.gz GBAKGBSLMIGGDX-SECBINFHSA-N 2 2 279.331 0.196 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@H]([NH3+])CC(F)F)CCO1 ZINC000345705292 137247006 /nfs/dbraw/zinc/24/70/06/137247006.db2.gz GBAKGBSLMIGGDX-SECBINFHSA-N 2 2 279.331 0.196 20 0 CCADLP [NH3+][C@@H](CC(F)F)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000345712412 137247692 /nfs/dbraw/zinc/24/76/92/137247692.db2.gz KXAJQDYXFXXDPR-VIFPVBQESA-N 2 2 268.267 0.933 20 0 CCADLP COCC[NH+]1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000345714167 137248044 /nfs/dbraw/zinc/24/80/44/137248044.db2.gz GSOUTOKJLDHTBV-OKILXGFUSA-N 2 2 283.416 0.650 20 0 CCADLP COCC[NH+]1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000345714167 137248045 /nfs/dbraw/zinc/24/80/45/137248045.db2.gz GSOUTOKJLDHTBV-OKILXGFUSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@H]1[C@H](NC(=O)N(C)CC[NH+]2CCOCC2)CCC[N@@H+]1C ZINC000345770370 137251858 /nfs/dbraw/zinc/25/18/58/137251858.db2.gz DXWNWJWBNRHAFN-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H]1[C@H](NC(=O)N(C)CC[NH+]2CCOCC2)CCC[N@H+]1C ZINC000345770370 137251859 /nfs/dbraw/zinc/25/18/59/137251859.db2.gz DXWNWJWBNRHAFN-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402251 348308234 /nfs/dbraw/zinc/30/82/34/348308234.db2.gz HNCGCNIUKUONCL-IUCAKERBSA-N 2 2 281.360 0.349 20 0 CCADLP C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402251 348308236 /nfs/dbraw/zinc/30/82/36/348308236.db2.gz HNCGCNIUKUONCL-IUCAKERBSA-N 2 2 281.360 0.349 20 0 CCADLP CC[NH+]1CCN(CCCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000346135390 137269124 /nfs/dbraw/zinc/26/91/24/137269124.db2.gz GMPAZIMJROONJK-UHFFFAOYSA-N 2 2 293.415 0.404 20 0 CCADLP CC[N@H+](CCO)CCNCc1cc(OC)cc(C)[nH+]1 ZINC000346251599 137275124 /nfs/dbraw/zinc/27/51/24/137275124.db2.gz KHCMIFGRUQMQKW-UHFFFAOYSA-N 2 2 267.373 0.802 20 0 CCADLP CC[N@@H+](CCO)CCNCc1cc(OC)cc(C)[nH+]1 ZINC000346251599 137275125 /nfs/dbraw/zinc/27/51/25/137275125.db2.gz KHCMIFGRUQMQKW-UHFFFAOYSA-N 2 2 267.373 0.802 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000044806186 348326415 /nfs/dbraw/zinc/32/64/15/348326415.db2.gz DYYPKZZOTXGGNG-RYUDHWBXSA-N 2 2 257.378 0.054 20 0 CCADLP Cc1cnn(C[C@@H]2C[N@H+](C[C@@H]3CCC[NH2+]C3)CCO2)c1 ZINC000346847601 137308307 /nfs/dbraw/zinc/30/83/07/137308307.db2.gz DHKBJSZVRWUZBQ-CABCVRRESA-N 2 2 278.400 0.892 20 0 CCADLP Cc1cnn(C[C@@H]2C[N@@H+](C[C@@H]3CCC[NH2+]C3)CCO2)c1 ZINC000346847601 137308308 /nfs/dbraw/zinc/30/83/08/137308308.db2.gz DHKBJSZVRWUZBQ-CABCVRRESA-N 2 2 278.400 0.892 20 0 CCADLP c1cnc(N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)cn1 ZINC000346854034 137308841 /nfs/dbraw/zinc/30/88/41/137308841.db2.gz YTRHFVWTBSPNKK-ZDUSSCGKSA-N 2 2 261.373 0.598 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC000347494450 137339752 /nfs/dbraw/zinc/33/97/52/137339752.db2.gz WOUCRVXHNUENBA-UHFFFAOYSA-N 2 2 264.333 0.135 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC000347494450 137339753 /nfs/dbraw/zinc/33/97/53/137339753.db2.gz WOUCRVXHNUENBA-UHFFFAOYSA-N 2 2 264.333 0.135 20 0 CCADLP CC[NH+]1CCN(CC(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000531300646 358454726 /nfs/dbraw/zinc/45/47/26/358454726.db2.gz WMMBMUXRKBWMFZ-UHFFFAOYSA-N 2 2 293.415 0.417 20 0 CCADLP CC(C)n1cc(C[N@H+](C)CCCN2CC[NH+](C)CC2)nn1 ZINC000349315683 137391823 /nfs/dbraw/zinc/39/18/23/137391823.db2.gz MINUGQQMKJDFCJ-UHFFFAOYSA-N 2 2 294.447 0.928 20 0 CCADLP CC(C)n1cc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)nn1 ZINC000349315683 137391824 /nfs/dbraw/zinc/39/18/24/137391824.db2.gz MINUGQQMKJDFCJ-UHFFFAOYSA-N 2 2 294.447 0.928 20 0 CCADLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccn(C)n1 ZINC000349461196 137394207 /nfs/dbraw/zinc/39/42/07/137394207.db2.gz QUDQPPUZYNRLPU-OCCSQVGLSA-N 2 2 293.415 0.801 20 0 CCADLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccn(C)n1 ZINC000349461196 137394208 /nfs/dbraw/zinc/39/42/08/137394208.db2.gz QUDQPPUZYNRLPU-OCCSQVGLSA-N 2 2 293.415 0.801 20 0 CCADLP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000347528505 137341518 /nfs/dbraw/zinc/34/15/18/137341518.db2.gz IEUDWVMWVMMBGW-YPMHNXCESA-N 2 2 266.389 0.836 20 0 CCADLP C[C@H](CNC(=O)c1ccc2c(c1)C[NH2+]C2)[NH+]1CCOCC1 ZINC000347544750 137342022 /nfs/dbraw/zinc/34/20/22/137342022.db2.gz BREYBBYBMHQFGD-GFCCVEGCSA-N 2 2 289.379 0.740 20 0 CCADLP CNC(=O)[C@H]1CCC[C@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000348152059 137375025 /nfs/dbraw/zinc/37/50/25/137375025.db2.gz ONXWFVOIFQVKNO-QWHCGFSZSA-N 2 2 253.390 0.977 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000348930545 137380781 /nfs/dbraw/zinc/38/07/81/137380781.db2.gz YAKDSOTXNCWAFS-STQMWFEESA-N 2 2 283.416 0.696 20 0 CCADLP O=C(CCOC1C[NH2+]C1)NCc1cn2ccccc2[nH+]1 ZINC000348993001 137383156 /nfs/dbraw/zinc/38/31/56/137383156.db2.gz PYZVRTXYGJCKKZ-UHFFFAOYSA-N 2 2 274.324 0.329 20 0 CCADLP C[C@@H](C[NH3+])C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000054340778 348552667 /nfs/dbraw/zinc/55/26/67/348552667.db2.gz RVSMPOFMTOCTNR-LBPRGKRZSA-N 2 2 262.357 0.321 20 0 CCADLP CCC[N@H+](CCCS(C)(=O)=O)C1CC[NH2+]CC1 ZINC000063016244 348675193 /nfs/dbraw/zinc/67/51/93/348675193.db2.gz ZGYQXDTUKKFYQD-UHFFFAOYSA-N 2 2 262.419 0.885 20 0 CCADLP CCC[N@@H+](CCCS(C)(=O)=O)C1CC[NH2+]CC1 ZINC000063016244 348675195 /nfs/dbraw/zinc/67/51/95/348675195.db2.gz ZGYQXDTUKKFYQD-UHFFFAOYSA-N 2 2 262.419 0.885 20 0 CCADLP CCn1cc([C@@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)cn1 ZINC000068801218 348821983 /nfs/dbraw/zinc/82/19/83/348821983.db2.gz WTGKZCTVLBAAOY-OCCSQVGLSA-N 2 2 265.405 0.799 20 0 CCADLP CCn1cc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cn1 ZINC000068801218 348821986 /nfs/dbraw/zinc/82/19/86/348821986.db2.gz WTGKZCTVLBAAOY-OCCSQVGLSA-N 2 2 265.405 0.799 20 0 CCADLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cnn(C)c1 ZINC000068802238 348822736 /nfs/dbraw/zinc/82/27/36/348822736.db2.gz SEBMRPARWXDUBJ-AAEUAGOBSA-N 2 2 251.378 0.317 20 0 CCADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cnn(C)c1 ZINC000068802238 348822738 /nfs/dbraw/zinc/82/27/38/348822738.db2.gz SEBMRPARWXDUBJ-AAEUAGOBSA-N 2 2 251.378 0.317 20 0 CCADLP O=C1CCCN1CC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069856646 348863519 /nfs/dbraw/zinc/86/35/19/348863519.db2.gz HWCCNDGOENQFFP-OAHLLOKOSA-N 2 2 295.427 0.653 20 0 CCADLP O=C1CCCN1CC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069856646 348863520 /nfs/dbraw/zinc/86/35/20/348863520.db2.gz HWCCNDGOENQFFP-OAHLLOKOSA-N 2 2 295.427 0.653 20 0 CCADLP C[C@@H]1C[NH+]=C(N2CCN(C(=O)/C=C/C[NH+](C)C)CC2)S1 ZINC000073118543 348943952 /nfs/dbraw/zinc/94/39/52/348943952.db2.gz IRMXXOLLISENOL-ZYOFXKKJSA-N 2 2 296.440 0.740 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@@H]2C)CC1 ZINC000339561507 215242124 /nfs/dbraw/zinc/24/21/24/215242124.db2.gz DWBJLLPWHJZAJZ-AGIUHOORSA-N 2 2 253.390 0.879 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@@H]2C)CC1 ZINC000339561507 215242126 /nfs/dbraw/zinc/24/21/26/215242126.db2.gz DWBJLLPWHJZAJZ-AGIUHOORSA-N 2 2 253.390 0.879 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCCNc2cccc(C)[nH+]2)C1 ZINC000074085428 348972540 /nfs/dbraw/zinc/97/25/40/348972540.db2.gz AAZRIVOIYODXID-CYBMUJFWSA-N 2 2 292.383 0.639 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NCCNc2cccc(C)[nH+]2)C1 ZINC000074085428 348972544 /nfs/dbraw/zinc/97/25/44/348972544.db2.gz AAZRIVOIYODXID-CYBMUJFWSA-N 2 2 292.383 0.639 20 0 CCADLP CSCCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000075625134 349042729 /nfs/dbraw/zinc/04/27/29/349042729.db2.gz VJRHOQBDMWCNRG-UHFFFAOYSA-N 2 2 259.419 0.445 20 0 CCADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835800 349053036 /nfs/dbraw/zinc/05/30/36/349053036.db2.gz ZJKGCVHRBXZGOO-LBPRGKRZSA-N 2 2 282.388 0.250 20 0 CCADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835800 349053038 /nfs/dbraw/zinc/05/30/38/349053038.db2.gz ZJKGCVHRBXZGOO-LBPRGKRZSA-N 2 2 282.388 0.250 20 0 CCADLP C[C@H](CNc1cc[nH+]c(N(C)C)n1)N1CC[NH+](C)CC1 ZINC000077215856 349102578 /nfs/dbraw/zinc/10/25/78/349102578.db2.gz VKCXMRNFHWABGN-GFCCVEGCSA-N 2 2 278.404 0.590 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000076002067 349062095 /nfs/dbraw/zinc/06/20/95/349062095.db2.gz MWWYHLNAXBPLSA-ZDUSSCGKSA-N 2 2 298.431 0.886 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000076002067 349062096 /nfs/dbraw/zinc/06/20/96/349062096.db2.gz MWWYHLNAXBPLSA-ZDUSSCGKSA-N 2 2 298.431 0.886 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)NCCC(=O)OC)C1 ZINC000076003543 349063650 /nfs/dbraw/zinc/06/36/50/349063650.db2.gz BKEZCJXBUBARSJ-CYBMUJFWSA-N 2 2 299.415 0.329 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)NCCC(=O)OC)C1 ZINC000076003543 349063655 /nfs/dbraw/zinc/06/36/55/349063655.db2.gz BKEZCJXBUBARSJ-CYBMUJFWSA-N 2 2 299.415 0.329 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)N2C[C@H](C)[NH+](C)[C@@H](C)C2)CC1 ZINC000339616384 215269585 /nfs/dbraw/zinc/26/95/85/215269585.db2.gz YQLQZOLUFJRPBC-KKUMJFAQSA-N 2 2 296.459 0.563 20 0 CCADLP CNC(=O)NC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080960721 349235595 /nfs/dbraw/zinc/23/55/95/349235595.db2.gz MGMWVLCPGHSSBL-VIFPVBQESA-N 2 2 265.317 0.045 20 0 CCADLP CNC(=O)NC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080960721 349235598 /nfs/dbraw/zinc/23/55/98/349235598.db2.gz MGMWVLCPGHSSBL-VIFPVBQESA-N 2 2 265.317 0.045 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000081365859 349260283 /nfs/dbraw/zinc/26/02/83/349260283.db2.gz UFDGUTXBNAOVRI-ZDUSSCGKSA-N 2 2 262.357 0.970 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCC(=O)N(C)C2)n1C ZINC000084063150 349314212 /nfs/dbraw/zinc/31/42/12/349314212.db2.gz JOUWXJXAAZKFBC-SNVBAGLBSA-N 2 2 265.361 0.197 20 0 CCADLP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000089106565 349374712 /nfs/dbraw/zinc/37/47/12/349374712.db2.gz PITIXJCADXNBJY-VXGBXAGGSA-N 2 2 250.346 0.907 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2ccsc2)[C@H](C[NH3+])C1 ZINC000120767564 350003886 /nfs/dbraw/zinc/00/38/86/350003886.db2.gz FYFNPDSYSPXBNF-LLVKDONJSA-N 2 2 253.371 0.392 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2ccsc2)[C@H](C[NH3+])C1 ZINC000120767564 350003888 /nfs/dbraw/zinc/00/38/88/350003888.db2.gz FYFNPDSYSPXBNF-LLVKDONJSA-N 2 2 253.371 0.392 20 0 CCADLP CC(C)C[NH+]1CCN(Cc2noc(C[NH3+])n2)CC1 ZINC000261550121 535103438 /nfs/dbraw/zinc/10/34/38/535103438.db2.gz LITHNPZSJHADCE-UHFFFAOYSA-N 2 2 253.350 0.302 20 0 CCADLP C[N@@H+]1CCC[C@H]1CCN1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000124739627 350106048 /nfs/dbraw/zinc/10/60/48/350106048.db2.gz UBTZTJRJZLTGQM-HNNXBMFYSA-N 2 2 294.443 0.367 20 0 CCADLP C[N@H+]1CCC[C@H]1CCN1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000124739627 350106052 /nfs/dbraw/zinc/10/60/52/350106052.db2.gz UBTZTJRJZLTGQM-HNNXBMFYSA-N 2 2 294.443 0.367 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CSc3ccccc32)[C@H](C[NH3+])C1 ZINC000124282768 350093043 /nfs/dbraw/zinc/09/30/43/350093043.db2.gz BJPFGRYHTUJAKY-DGCLKSJQSA-N 2 2 291.420 0.977 20 0 CCADLP C[N@@H+]1CCN(C(=O)c2nccc3ccccc32)[C@H](C[NH3+])C1 ZINC000124343872 350096449 /nfs/dbraw/zinc/09/64/49/350096449.db2.gz ISDGVHDWNSSIGX-CYBMUJFWSA-N 2 2 284.363 0.950 20 0 CCADLP C[N@H+]1CCN(C(=O)c2nccc3ccccc32)[C@H](C[NH3+])C1 ZINC000124343872 350096454 /nfs/dbraw/zinc/09/64/54/350096454.db2.gz ISDGVHDWNSSIGX-CYBMUJFWSA-N 2 2 284.363 0.950 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)c1csc(C[NH3+])n1 ZINC000090930332 180063576 /nfs/dbraw/zinc/06/35/76/180063576.db2.gz OLWOKUNQOPIVSD-MRVPVSSYSA-N 2 2 265.342 0.617 20 0 CCADLP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000125489736 350123598 /nfs/dbraw/zinc/12/35/98/350123598.db2.gz WBDOHDDWLTYXKI-GFCCVEGCSA-N 2 2 266.345 0.158 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000126094098 350137773 /nfs/dbraw/zinc/13/77/73/350137773.db2.gz DZJQZBJQCZFTAP-NEPJUHHUSA-N 2 2 250.346 0.778 20 0 CCADLP C[NH2+]CCC[N@H+](C)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000127226582 350164827 /nfs/dbraw/zinc/16/48/27/350164827.db2.gz GCIHGOFNKUXSIP-UHFFFAOYSA-N 2 2 299.440 0.978 20 0 CCADLP C[NH2+]CCC[N@@H+](C)Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000127226582 350164829 /nfs/dbraw/zinc/16/48/29/350164829.db2.gz GCIHGOFNKUXSIP-UHFFFAOYSA-N 2 2 299.440 0.978 20 0 CCADLP C[C@@H](CNc1cc(N2CCC[C@H]2CO)[nH+]cn1)[NH+](C)C ZINC000271327875 191075460 /nfs/dbraw/zinc/07/54/60/191075460.db2.gz PTQOQLWHPFBFTF-RYUDHWBXSA-N 2 2 279.388 0.800 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000129548105 350216650 /nfs/dbraw/zinc/21/66/50/350216650.db2.gz YVTMNOOLVVFGLW-RDBSUJKOSA-N 3 2 255.406 0.373 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000129548105 350216653 /nfs/dbraw/zinc/21/66/53/350216653.db2.gz YVTMNOOLVVFGLW-RDBSUJKOSA-N 3 2 255.406 0.373 20 0 CCADLP COCCN(CC[NH+](C)C)C(=O)NCCn1cc[nH+]c1 ZINC000105065404 186040093 /nfs/dbraw/zinc/04/00/93/186040093.db2.gz SIMMHHDKHCVLGZ-UHFFFAOYSA-N 2 2 283.376 0.103 20 0 CCADLP CC(C)(C)NC(=O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129187541 350207698 /nfs/dbraw/zinc/20/76/98/350207698.db2.gz GIKYTLLKGYYAIM-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)[C@H]([NH3+])c1ccccc1 ZINC000130542890 350239932 /nfs/dbraw/zinc/23/99/32/350239932.db2.gz QITZKONUWAJBSG-CFVMTHIKSA-N 2 2 291.395 0.769 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)[C@H]([NH3+])c1ccccc1 ZINC000130542890 350239934 /nfs/dbraw/zinc/23/99/34/350239934.db2.gz QITZKONUWAJBSG-CFVMTHIKSA-N 2 2 291.395 0.769 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000134524141 350367303 /nfs/dbraw/zinc/36/73/03/350367303.db2.gz CGALXMDNJNLUDQ-NSHDSACASA-N 2 2 250.346 0.768 20 0 CCADLP CC[C@@]1(C(=O)NC[C@@H](C)[NH+]2CCOCC2)CCC[NH2+]1 ZINC000134568245 350368810 /nfs/dbraw/zinc/36/88/10/350368810.db2.gz VNWSZRZUBMNCKB-OCCSQVGLSA-N 2 2 269.389 0.356 20 0 CCADLP Cc1[nH+]cc(C[NH2+]C[C@H](O)CO)n1-c1ccccc1 ZINC000092129197 180329941 /nfs/dbraw/zinc/32/99/41/180329941.db2.gz ZTKWSODJIHWYID-AWEZNQCLSA-N 2 2 261.325 0.624 20 0 CCADLP Cc1ccncc1C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000135498602 350398310 /nfs/dbraw/zinc/39/83/10/350398310.db2.gz JDDHOFRAJMGACL-UHFFFAOYSA-N 2 2 262.357 0.254 20 0 CCADLP Cc1ccncc1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000135498602 350398311 /nfs/dbraw/zinc/39/83/11/350398311.db2.gz JDDHOFRAJMGACL-UHFFFAOYSA-N 2 2 262.357 0.254 20 0 CCADLP CCNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000136091748 350414190 /nfs/dbraw/zinc/41/41/90/350414190.db2.gz MEWVHFFZPCGXLW-VXGBXAGGSA-N 2 2 250.346 0.902 20 0 CCADLP CCNC(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000136091748 350414193 /nfs/dbraw/zinc/41/41/93/350414193.db2.gz MEWVHFFZPCGXLW-VXGBXAGGSA-N 2 2 250.346 0.902 20 0 CCADLP CC(C)[C@@H](C(=O)NCCCn1cc[nH+]c1)[NH+](C)C ZINC000106454234 186119213 /nfs/dbraw/zinc/11/92/13/186119213.db2.gz PLBJWOKQNKJBQM-LBPRGKRZSA-N 2 2 252.362 0.976 20 0 CCADLP CCCCCNC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577162 186179305 /nfs/dbraw/zinc/17/93/05/186179305.db2.gz WNMKATUUECWEGH-RWMBFGLXSA-N 2 2 253.390 0.833 20 0 CCADLP CCCCCNC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577162 186179306 /nfs/dbraw/zinc/17/93/06/186179306.db2.gz WNMKATUUECWEGH-RWMBFGLXSA-N 2 2 253.390 0.833 20 0 CCADLP CCCC[C@H]([NH3+])C(=O)N1CC[NH+](CCOCC)CC1 ZINC000154534770 350591633 /nfs/dbraw/zinc/59/16/33/350591633.db2.gz PPEWKBZJNCZHDR-ZDUSSCGKSA-N 2 2 271.405 0.685 20 0 CCADLP C[N@H+](CC(=O)NCc1[nH]cc[nH+]1)[C@H]1CCSC1 ZINC000155455855 350618939 /nfs/dbraw/zinc/61/89/39/350618939.db2.gz BCFVYZTYLWABKJ-VIFPVBQESA-N 2 2 254.359 0.463 20 0 CCADLP C[N@@H+](CC(=O)NCc1[nH]cc[nH+]1)[C@H]1CCSC1 ZINC000155455855 350618940 /nfs/dbraw/zinc/61/89/40/350618940.db2.gz BCFVYZTYLWABKJ-VIFPVBQESA-N 2 2 254.359 0.463 20 0 CCADLP COC(=O)CCNC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109796076 186272870 /nfs/dbraw/zinc/27/28/70/186272870.db2.gz VNTIRFJYJGEGOA-UHFFFAOYSA-N 2 2 294.355 0.199 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCOCC2CC2)CC1 ZINC000162690494 350750319 /nfs/dbraw/zinc/75/03/19/350750319.db2.gz ZHAHFCBPBXYFAC-OAHLLOKOSA-N 2 2 295.427 0.651 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCOCC2CC2)CC1 ZINC000162690494 350750324 /nfs/dbraw/zinc/75/03/24/350750324.db2.gz ZHAHFCBPBXYFAC-OAHLLOKOSA-N 2 2 295.427 0.651 20 0 CCADLP CC(=O)NCCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000162898836 350755861 /nfs/dbraw/zinc/75/58/61/350755861.db2.gz RWFUFELJWJKHQZ-UHFFFAOYSA-N 2 2 297.322 0.759 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCC(F)(F)F)C1 ZINC000163254981 350762161 /nfs/dbraw/zinc/76/21/61/350762161.db2.gz GPZJZZVPTRUPNG-HTQZYQBOSA-N 2 2 253.268 0.334 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCC(F)(F)F)C1 ZINC000163254981 350762164 /nfs/dbraw/zinc/76/21/64/350762164.db2.gz GPZJZZVPTRUPNG-HTQZYQBOSA-N 2 2 253.268 0.334 20 0 CCADLP C[N@@H+]1CCN(C(=O)c2ccc(-n3cccn3)cc2)[C@H](C[NH3+])C1 ZINC000162352072 350741630 /nfs/dbraw/zinc/74/16/30/350741630.db2.gz LZDWPYJRQQGMHS-OAHLLOKOSA-N 2 2 299.378 0.587 20 0 CCADLP C[N@H+]1CCN(C(=O)c2ccc(-n3cccn3)cc2)[C@H](C[NH3+])C1 ZINC000162352072 350741634 /nfs/dbraw/zinc/74/16/34/350741634.db2.gz LZDWPYJRQQGMHS-OAHLLOKOSA-N 2 2 299.378 0.587 20 0 CCADLP [NH3+]C1(C(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)CC1 ZINC000163947536 350775022 /nfs/dbraw/zinc/77/50/22/350775022.db2.gz VXSOYHRFQRPSFH-UHFFFAOYSA-N 2 2 299.378 0.470 20 0 CCADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@H]1CSC[NH2+]1 ZINC000165520588 350790934 /nfs/dbraw/zinc/79/09/34/350790934.db2.gz DLEMYDVGMGPEGJ-GXSJLCMTSA-N 2 2 268.386 0.606 20 0 CCADLP O=C(NCC[NH+]1CCOCC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000170740514 350856333 /nfs/dbraw/zinc/85/63/33/350856333.db2.gz XSXIOLTZXOYDTL-AWEZNQCLSA-N 2 2 296.415 0.198 20 0 CCADLP C[NH+](C)CC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000170752626 350856984 /nfs/dbraw/zinc/85/69/84/350856984.db2.gz QLLQXGJHLFPUCP-UHFFFAOYSA-N 2 2 278.356 0.096 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000170904745 350872434 /nfs/dbraw/zinc/87/24/34/350872434.db2.gz SKJLAAIZGCZNSN-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000170904745 350872437 /nfs/dbraw/zinc/87/24/37/350872437.db2.gz SKJLAAIZGCZNSN-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000170904745 350872441 /nfs/dbraw/zinc/87/24/41/350872441.db2.gz SKJLAAIZGCZNSN-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000170904745 350872444 /nfs/dbraw/zinc/87/24/44/350872444.db2.gz SKJLAAIZGCZNSN-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP COCC[NH+]1CCC([NH2+]Cc2cncn2C)CC1 ZINC000171130670 350888382 /nfs/dbraw/zinc/88/83/82/350888382.db2.gz NWEFUEWEUQUQLN-UHFFFAOYSA-N 2 2 252.362 0.621 20 0 CCADLP C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000172770739 351009809 /nfs/dbraw/zinc/00/98/09/351009809.db2.gz KEQJSGHJYDFLKU-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000172770739 351009812 /nfs/dbraw/zinc/00/98/12/351009812.db2.gz KEQJSGHJYDFLKU-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173637694 351048317 /nfs/dbraw/zinc/04/83/17/351048317.db2.gz DTFHVSZNTQLXDV-QWRGUYRKSA-N 2 2 270.377 0.376 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173637694 351048321 /nfs/dbraw/zinc/04/83/21/351048321.db2.gz DTFHVSZNTQLXDV-QWRGUYRKSA-N 2 2 270.377 0.376 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173637694 351048324 /nfs/dbraw/zinc/04/83/24/351048324.db2.gz DTFHVSZNTQLXDV-QWRGUYRKSA-N 2 2 270.377 0.376 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173637694 351048328 /nfs/dbraw/zinc/04/83/28/351048328.db2.gz DTFHVSZNTQLXDV-QWRGUYRKSA-N 2 2 270.377 0.376 20 0 CCADLP C[C@H](NC(=O)C[NH+](C)C)C1([NH+]2CCOCC2)CCCC1 ZINC000175927238 351149671 /nfs/dbraw/zinc/14/96/71/351149671.db2.gz GANWDSJVSSCCMY-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000178762604 351244370 /nfs/dbraw/zinc/24/43/70/351244370.db2.gz OLWYICBAKIJRRP-LBPRGKRZSA-N 2 2 269.389 0.213 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@H]1CCC[NH2+]C1 ZINC000178762604 351244373 /nfs/dbraw/zinc/24/43/73/351244373.db2.gz OLWYICBAKIJRRP-LBPRGKRZSA-N 2 2 269.389 0.213 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CC2CC[NH2+]CC2)CC1 ZINC000178830873 351247350 /nfs/dbraw/zinc/24/73/50/351247350.db2.gz FESPXAMKAVHBTB-UHFFFAOYSA-N 3 2 296.459 0.518 20 0 CCADLP C[C@@H](C(=O)NC[C@@H]1C[NH+]2CCN1CC2)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000179024422 351257476 /nfs/dbraw/zinc/25/74/76/351257476.db2.gz ICYVQHJVUXTTOW-LJISPDSOSA-N 2 2 294.443 0.364 20 0 CCADLP C[C@@H](C(=O)NC[C@@H]1C[NH+]2CCN1CC2)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000179024422 351257478 /nfs/dbraw/zinc/25/74/78/351257478.db2.gz ICYVQHJVUXTTOW-LJISPDSOSA-N 2 2 294.443 0.364 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCN1C(=O)CNC1=O ZINC000177336194 351200613 /nfs/dbraw/zinc/20/06/13/351200613.db2.gz FXCODFXSRPEFJX-OLZOCXBDSA-N 2 2 294.399 0.487 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCN1C(=O)CNC1=O ZINC000177336194 351200617 /nfs/dbraw/zinc/20/06/17/351200617.db2.gz FXCODFXSRPEFJX-OLZOCXBDSA-N 2 2 294.399 0.487 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCN1C(=O)CNC1=O ZINC000177336194 351200620 /nfs/dbraw/zinc/20/06/20/351200620.db2.gz FXCODFXSRPEFJX-OLZOCXBDSA-N 2 2 294.399 0.487 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCN1C(=O)CNC1=O ZINC000177336194 351200625 /nfs/dbraw/zinc/20/06/25/351200625.db2.gz FXCODFXSRPEFJX-OLZOCXBDSA-N 2 2 294.399 0.487 20 0 CCADLP CC(C)N1CC[C@H]([N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000177689343 351210464 /nfs/dbraw/zinc/21/04/64/351210464.db2.gz ZFLQJEWPBFPZAJ-CABCVRRESA-N 2 2 295.427 0.650 20 0 CCADLP CC(C)N1CC[C@H]([N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000177689343 351210468 /nfs/dbraw/zinc/21/04/68/351210468.db2.gz ZFLQJEWPBFPZAJ-CABCVRRESA-N 2 2 295.427 0.650 20 0 CCADLP CCC[NH2+]CCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000179264469 351262117 /nfs/dbraw/zinc/26/21/17/351262117.db2.gz JHRVQLRESQEXOC-UHFFFAOYSA-N 2 2 260.341 0.993 20 0 CCADLP COc1cc[nH+]cc1Cn1cc(CSCC[NH3+])nn1 ZINC000603250656 363022060 /nfs/dbraw/zinc/02/20/60/363022060.db2.gz FMKMDGUTVBGEAD-UHFFFAOYSA-N 2 2 279.369 0.922 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNc1cc[nH+]cc1C(N)=O ZINC000184107875 351403233 /nfs/dbraw/zinc/40/32/33/351403233.db2.gz KFKRREVNXBOITE-UHFFFAOYSA-N 2 2 278.356 0.703 20 0 CCADLP CC1(C)COCC[N@H+]1CCNc1cc[nH+]cc1C(N)=O ZINC000184107875 351403239 /nfs/dbraw/zinc/40/32/39/351403239.db2.gz KFKRREVNXBOITE-UHFFFAOYSA-N 2 2 278.356 0.703 20 0 CCADLP C[C@@H](C(=O)N1CCC([NH+]2CCCC2)CC1)[NH+]1CCOCC1 ZINC000339813697 215348086 /nfs/dbraw/zinc/34/80/86/215348086.db2.gz POZZXWDPZCYQLX-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP C[C@H]1C(=O)NCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000189103219 351652517 /nfs/dbraw/zinc/65/25/17/351652517.db2.gz UDVAHCBPONSUOX-LBPRGKRZSA-N 2 2 285.351 0.978 20 0 CCADLP C[C@H]1C(=O)NCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000189103219 351652520 /nfs/dbraw/zinc/65/25/20/351652520.db2.gz UDVAHCBPONSUOX-LBPRGKRZSA-N 2 2 285.351 0.978 20 0 CCADLP O=C(NCC[N@H+]1CCc2sccc2C1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188738843 351623163 /nfs/dbraw/zinc/62/31/63/351623163.db2.gz IKAMMRJMTBJHBD-NWDGAFQWSA-N 2 2 297.399 0.922 20 0 CCADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000655408701 412560343 /nfs/dbraw/zinc/56/03/43/412560343.db2.gz ZAZMXJGYGHZEMQ-BZPMIXESSA-N 2 2 276.384 0.902 20 0 CCADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+](CCO)CCO ZINC000191992300 351779981 /nfs/dbraw/zinc/77/99/81/351779981.db2.gz MOOOYYPIDHRHPT-UHFFFAOYSA-N 2 2 275.352 0.967 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000192094441 351782631 /nfs/dbraw/zinc/78/26/31/351782631.db2.gz GAZUUZDTQCRKJH-VXGBXAGGSA-N 2 2 292.383 0.518 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000192094825 351784105 /nfs/dbraw/zinc/78/41/05/351784105.db2.gz OUXIOSYCNFCXCN-RYUDHWBXSA-N 2 2 292.383 0.518 20 0 CCADLP CCCn1cc(C[N@@H+]2CCCN(C(=O)C[NH2+]C)CC2)cn1 ZINC000193129715 351812812 /nfs/dbraw/zinc/81/28/12/351812812.db2.gz AKNWANVEYXHQIK-UHFFFAOYSA-N 2 2 293.415 0.547 20 0 CCADLP CCCn1cc(C[N@H+]2CCCN(C(=O)C[NH2+]C)CC2)cn1 ZINC000193129715 351812818 /nfs/dbraw/zinc/81/28/18/351812818.db2.gz AKNWANVEYXHQIK-UHFFFAOYSA-N 2 2 293.415 0.547 20 0 CCADLP CCn1cc(C[N@@H+]2CCCN(C(=O)C[NH2+]C)CC2)cn1 ZINC000193129696 351812944 /nfs/dbraw/zinc/81/29/44/351812944.db2.gz UUCWRKVNJXSESV-UHFFFAOYSA-N 2 2 279.388 0.157 20 0 CCADLP CCn1cc(C[N@H+]2CCCN(C(=O)C[NH2+]C)CC2)cn1 ZINC000193129696 351812949 /nfs/dbraw/zinc/81/29/49/351812949.db2.gz UUCWRKVNJXSESV-UHFFFAOYSA-N 2 2 279.388 0.157 20 0 CCADLP Cc1cc(NC(=O)CC[N@@H+]2CCC[C@@H]2C[NH3+])no1 ZINC000123415996 187090831 /nfs/dbraw/zinc/09/08/31/187090831.db2.gz GLTXOAAGGFTXLX-SNVBAGLBSA-N 2 2 252.318 0.735 20 0 CCADLP Cc1cc(NC(=O)CC[N@H+]2CCC[C@@H]2C[NH3+])no1 ZINC000123415996 187090832 /nfs/dbraw/zinc/09/08/32/187090832.db2.gz GLTXOAAGGFTXLX-SNVBAGLBSA-N 2 2 252.318 0.735 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123814819 187110635 /nfs/dbraw/zinc/11/06/35/187110635.db2.gz VPEABZXBGYZLGG-QWHCGFSZSA-N 2 2 298.431 0.883 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123814819 187110636 /nfs/dbraw/zinc/11/06/36/187110636.db2.gz VPEABZXBGYZLGG-QWHCGFSZSA-N 2 2 298.431 0.883 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123814819 187110637 /nfs/dbraw/zinc/11/06/37/187110637.db2.gz VPEABZXBGYZLGG-QWHCGFSZSA-N 2 2 298.431 0.883 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123814819 187110638 /nfs/dbraw/zinc/11/06/38/187110638.db2.gz VPEABZXBGYZLGG-QWHCGFSZSA-N 2 2 298.431 0.883 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000194904562 351891177 /nfs/dbraw/zinc/89/11/77/351891177.db2.gz HSTQOJBWIHDADV-STQMWFEESA-N 2 2 294.399 0.807 20 0 CCADLP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000223736768 351989084 /nfs/dbraw/zinc/98/90/84/351989084.db2.gz ONAKILIKLWUTJR-GFCCVEGCSA-N 2 2 262.419 0.884 20 0 CCADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000223736768 351989086 /nfs/dbraw/zinc/98/90/86/351989086.db2.gz ONAKILIKLWUTJR-GFCCVEGCSA-N 2 2 262.419 0.884 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H]2CC[C@H](O)C2)n1C ZINC000227551528 352053295 /nfs/dbraw/zinc/05/32/95/352053295.db2.gz JFYFGUKDXLIJDH-JQWIXIFHSA-N 2 2 252.362 0.737 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@H]2COc3ccccc32)[C@@H](C[NH3+])C1 ZINC000226610191 352030310 /nfs/dbraw/zinc/03/03/10/352030310.db2.gz DJFDXWKYCVAVRC-AAEUAGOBSA-N 2 2 275.352 0.264 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]2COc3ccccc32)[C@@H](C[NH3+])C1 ZINC000226610191 352030312 /nfs/dbraw/zinc/03/03/12/352030312.db2.gz DJFDXWKYCVAVRC-AAEUAGOBSA-N 2 2 275.352 0.264 20 0 CCADLP CCc1cc(NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)nc[nH+]1 ZINC000603389585 363106107 /nfs/dbraw/zinc/10/61/07/363106107.db2.gz JURCQPWVPKJEOA-GFCCVEGCSA-N 2 2 291.399 0.460 20 0 CCADLP CCc1cc(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)nc[nH+]1 ZINC000603389585 363106110 /nfs/dbraw/zinc/10/61/10/363106110.db2.gz JURCQPWVPKJEOA-GFCCVEGCSA-N 2 2 291.399 0.460 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000229413966 352090681 /nfs/dbraw/zinc/09/06/81/352090681.db2.gz JUFDCUNCXTXAHQ-CYBMUJFWSA-N 2 2 283.416 0.733 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000229413966 352090685 /nfs/dbraw/zinc/09/06/85/352090685.db2.gz JUFDCUNCXTXAHQ-CYBMUJFWSA-N 2 2 283.416 0.733 20 0 CCADLP C[C@@H](CC[NH2+]Cc1c[nH+]c(N(C)C)n1C)[S@](C)=O ZINC000229787571 352096224 /nfs/dbraw/zinc/09/62/24/352096224.db2.gz LRVVIOVBLZZLOQ-YPMLDQLKSA-N 2 2 272.418 0.733 20 0 CCADLP COc1ccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cn1 ZINC000232163249 352141969 /nfs/dbraw/zinc/14/19/69/352141969.db2.gz NBGMRVGQYQTIMX-CYBMUJFWSA-N 2 2 253.346 0.492 20 0 CCADLP CSCC[C@H]([NH3+])C(=O)NCc1ccc[nH+]c1N(C)C ZINC000237322003 352260428 /nfs/dbraw/zinc/26/04/28/352260428.db2.gz VXZZKHLGRIAPGZ-NSHDSACASA-N 2 2 282.413 0.844 20 0 CCADLP C[C@@H]1C[NH+](CCCNC(=O)[C@H]2CSC[NH2+]2)C[C@@H](C)O1 ZINC000237506669 352269355 /nfs/dbraw/zinc/26/93/55/352269355.db2.gz BLXLWKHCNKVJDZ-IJLUTSLNSA-N 2 2 287.429 0.264 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1COCC[NH2+]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000237566964 352271714 /nfs/dbraw/zinc/27/17/14/352271714.db2.gz AHJJMRZOVKFEBH-UPJWGTAASA-N 2 2 269.389 0.211 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1COCC[NH2+]1)[N@H+]1CCC[C@@H](C)C1 ZINC000237566964 352271715 /nfs/dbraw/zinc/27/17/15/352271715.db2.gz AHJJMRZOVKFEBH-UPJWGTAASA-N 2 2 269.389 0.211 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N(C)CC(C)(C)C[NH3+] ZINC000417531829 233969051 /nfs/dbraw/zinc/96/90/51/233969051.db2.gz UXHVRSMRYCIRNI-LBPRGKRZSA-N 2 2 286.420 0.333 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N(C)CC(C)(C)C[NH3+] ZINC000417531829 233969054 /nfs/dbraw/zinc/96/90/54/233969054.db2.gz UXHVRSMRYCIRNI-LBPRGKRZSA-N 2 2 286.420 0.333 20 0 CCADLP C[C@H](C[NH3+])N(C)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000237606247 352275342 /nfs/dbraw/zinc/27/53/42/352275342.db2.gz MFUKMYUUBMBGOA-CYBMUJFWSA-N 2 2 291.399 0.009 20 0 CCADLP C[NH2+]CCCC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000237168985 352249694 /nfs/dbraw/zinc/24/96/94/352249694.db2.gz RQBNXXMCDDBXAO-UHFFFAOYSA-N 2 2 260.341 0.993 20 0 CCADLP COc1ccccc1[C@@H](NC(=O)[C@H](C)[NH3+])c1[nH+]ccn1C ZINC000237225354 352254465 /nfs/dbraw/zinc/25/44/65/352254465.db2.gz CQYDRILPNXYNTI-GXFFZTMASA-N 2 2 288.351 0.982 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000237663511 352278291 /nfs/dbraw/zinc/27/82/91/352278291.db2.gz SLEYPWBDUPMJBB-UKRRQHHQSA-N 2 2 282.432 0.128 20 0 CCADLP [NH3+]CCC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000237851682 352286323 /nfs/dbraw/zinc/28/63/23/352286323.db2.gz BHKAGPBTABKISX-UHFFFAOYSA-N 2 2 287.367 0.327 20 0 CCADLP [NH3+]CCCC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000237895203 352288548 /nfs/dbraw/zinc/28/85/48/352288548.db2.gz GXZOBUNEAKWADJ-GFCCVEGCSA-N 2 2 255.362 0.049 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC3)C2)CC1 ZINC000604207483 363183145 /nfs/dbraw/zinc/18/31/45/363183145.db2.gz FZVUJSQLRLVDDN-LBPRGKRZSA-N 2 2 266.389 0.570 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC3)C2)CC1 ZINC000604207483 363183149 /nfs/dbraw/zinc/18/31/49/363183149.db2.gz FZVUJSQLRLVDDN-LBPRGKRZSA-N 2 2 266.389 0.570 20 0 CCADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NCCCOC)C1 ZINC000245458026 352324186 /nfs/dbraw/zinc/32/41/86/352324186.db2.gz UPIKAQSKMZHHQM-ZIAGYGMSSA-N 2 2 285.432 0.801 20 0 CCADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NCCCOC)C1 ZINC000245458026 352324189 /nfs/dbraw/zinc/32/41/89/352324189.db2.gz UPIKAQSKMZHHQM-ZIAGYGMSSA-N 2 2 285.432 0.801 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)NCCCOC)C1 ZINC000245458026 352324192 /nfs/dbraw/zinc/32/41/92/352324192.db2.gz UPIKAQSKMZHHQM-ZIAGYGMSSA-N 2 2 285.432 0.801 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)NCCCOC)C1 ZINC000245458026 352324195 /nfs/dbraw/zinc/32/41/95/352324195.db2.gz UPIKAQSKMZHHQM-ZIAGYGMSSA-N 2 2 285.432 0.801 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000245455315 352324548 /nfs/dbraw/zinc/32/45/48/352324548.db2.gz SKVXXJLWNLPUEM-GHMZBOCLSA-N 2 2 270.377 0.234 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000245455315 352324551 /nfs/dbraw/zinc/32/45/51/352324551.db2.gz SKVXXJLWNLPUEM-GHMZBOCLSA-N 2 2 270.377 0.234 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@H](C)C(=O)OC)CC1 ZINC000246375330 352363251 /nfs/dbraw/zinc/36/32/51/352363251.db2.gz MFPMXRFBBIVVHJ-STQMWFEESA-N 2 2 299.415 0.280 20 0 CCADLP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CCO1 ZINC000655419014 412564866 /nfs/dbraw/zinc/56/48/66/412564866.db2.gz JKSFUNICRGEPMA-QJPTWQEYSA-N 2 2 278.356 0.020 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248150361 352432369 /nfs/dbraw/zinc/43/23/69/352432369.db2.gz QSVSRNIHNKKONX-STQMWFEESA-N 2 2 296.415 0.638 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248150361 352432372 /nfs/dbraw/zinc/43/23/72/352432372.db2.gz QSVSRNIHNKKONX-STQMWFEESA-N 2 2 296.415 0.638 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248150361 352432374 /nfs/dbraw/zinc/43/23/74/352432374.db2.gz QSVSRNIHNKKONX-STQMWFEESA-N 2 2 296.415 0.638 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248150361 352432376 /nfs/dbraw/zinc/43/23/76/352432376.db2.gz QSVSRNIHNKKONX-STQMWFEESA-N 2 2 296.415 0.638 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248150358 352432988 /nfs/dbraw/zinc/43/29/88/352432988.db2.gz QSVSRNIHNKKONX-QWHCGFSZSA-N 2 2 296.415 0.638 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248150358 352432990 /nfs/dbraw/zinc/43/29/90/352432990.db2.gz QSVSRNIHNKKONX-QWHCGFSZSA-N 2 2 296.415 0.638 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248150358 352432992 /nfs/dbraw/zinc/43/29/92/352432992.db2.gz QSVSRNIHNKKONX-QWHCGFSZSA-N 2 2 296.415 0.638 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248150358 352432993 /nfs/dbraw/zinc/43/29/93/352432993.db2.gz QSVSRNIHNKKONX-QWHCGFSZSA-N 2 2 296.415 0.638 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252749426 352524627 /nfs/dbraw/zinc/52/46/27/352524627.db2.gz AOZXYSPRZRXPTP-WDEREUQCSA-N 2 2 270.377 0.137 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252749426 352524631 /nfs/dbraw/zinc/52/46/31/352524631.db2.gz AOZXYSPRZRXPTP-WDEREUQCSA-N 2 2 270.377 0.137 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000264229305 352595702 /nfs/dbraw/zinc/59/57/02/352595702.db2.gz YEGBWLXPQBEAOE-UHFFFAOYSA-N 2 2 292.383 0.691 20 0 CCADLP Nc1ncc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)s1 ZINC000262048393 352572910 /nfs/dbraw/zinc/57/29/10/352572910.db2.gz QATOXISDAIYXAZ-NSHDSACASA-N 2 2 282.413 0.879 20 0 CCADLP Nc1ncc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)s1 ZINC000262048393 352572914 /nfs/dbraw/zinc/57/29/14/352572914.db2.gz QATOXISDAIYXAZ-NSHDSACASA-N 2 2 282.413 0.879 20 0 CCADLP Cc1nn(C(C)C)cc1C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000262050255 352573903 /nfs/dbraw/zinc/57/39/03/352573903.db2.gz ZLYHZEBRDHAYTD-UHFFFAOYSA-N 2 2 293.415 0.636 20 0 CCADLP Cc1nn(C(C)C)cc1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000262050255 352573905 /nfs/dbraw/zinc/57/39/05/352573905.db2.gz ZLYHZEBRDHAYTD-UHFFFAOYSA-N 2 2 293.415 0.636 20 0 CCADLP Cc1cnn(C[C@@H]2C[N@H+](C[C@]3(C)CC[NH2+]C3)CCO2)c1 ZINC000262060474 352574941 /nfs/dbraw/zinc/57/49/41/352574941.db2.gz RBOIYIYMLAVKMT-LSDHHAIUSA-N 2 2 278.400 0.892 20 0 CCADLP Cc1cnn(C[C@@H]2C[N@@H+](C[C@]3(C)CC[NH2+]C3)CCO2)c1 ZINC000262060474 352574942 /nfs/dbraw/zinc/57/49/42/352574942.db2.gz RBOIYIYMLAVKMT-LSDHHAIUSA-N 2 2 278.400 0.892 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000262141719 352581682 /nfs/dbraw/zinc/58/16/82/352581682.db2.gz PGDCPTXRGOCGQQ-OBJOEFQTSA-N 2 2 299.415 0.456 20 0 CCADLP O=C([C@H]1CSC[NH2+]1)N1CC[NH+](C2CCC2)CC1 ZINC000262153981 352583581 /nfs/dbraw/zinc/58/35/81/352583581.db2.gz GEOODEYEODJEHL-LLVKDONJSA-N 2 2 255.387 0.346 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000271595946 191232168 /nfs/dbraw/zinc/23/21/68/191232168.db2.gz SGUYMMLUAWFGNE-SNVBAGLBSA-N 2 2 254.359 0.094 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCSC[C@@H]1C(N)=O ZINC000271595946 191232171 /nfs/dbraw/zinc/23/21/71/191232171.db2.gz SGUYMMLUAWFGNE-SNVBAGLBSA-N 2 2 254.359 0.094 20 0 CCADLP C[NH+](C)CCN1C(=O)C[C@H]([NH+]2CCC(F)(F)CC2)C1=O ZINC000684559474 545702657 /nfs/dbraw/zinc/70/26/57/545702657.db2.gz WYDWLUQQZXLYCL-JTQLQIEISA-N 2 2 289.326 0.407 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000269606459 352852599 /nfs/dbraw/zinc/85/25/99/352852599.db2.gz QGEMIYCQAKOQKJ-ZDUSSCGKSA-N 2 2 280.372 0.236 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCN(c2cnccn2)CC1 ZINC000270632055 352960527 /nfs/dbraw/zinc/96/05/27/352960527.db2.gz HAGZZXBVHYOFRU-UHFFFAOYSA-N 2 2 272.356 0.804 20 0 CCADLP Cc1cc(C)c(CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])c[nH+]1 ZINC000418890991 234254028 /nfs/dbraw/zinc/25/40/28/234254028.db2.gz SVSPEXQBVNBRBT-CYBMUJFWSA-N 2 2 290.367 0.264 20 0 CCADLP CCC[C@H]([NH3+])C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000272434462 353064166 /nfs/dbraw/zinc/06/41/66/353064166.db2.gz JYCVITLZYXTSLR-NSHDSACASA-N 2 2 250.346 0.963 20 0 CCADLP C[N@H+](CC(=O)N1CCn2c[nH+]cc2C1)[C@H]1CCSC1 ZINC000336451891 213319546 /nfs/dbraw/zinc/31/95/46/213319546.db2.gz AOCPOPUPIUXETN-NSHDSACASA-N 2 2 280.397 0.663 20 0 CCADLP C[N@@H+](CC(=O)N1CCn2c[nH+]cc2C1)[C@H]1CCSC1 ZINC000336451891 213319548 /nfs/dbraw/zinc/31/95/48/213319548.db2.gz AOCPOPUPIUXETN-NSHDSACASA-N 2 2 280.397 0.663 20 0 CCADLP CN(CC[N@H+](C)C1CC1)c1cc(N2CCOCC2)[nH+]cn1 ZINC000277800581 353266111 /nfs/dbraw/zinc/26/61/11/353266111.db2.gz NLPSXMXPSWCZLQ-UHFFFAOYSA-N 2 2 291.399 0.844 20 0 CCADLP CN(CC[N@@H+](C)C1CC1)c1cc(N2CCOCC2)[nH+]cn1 ZINC000277800581 353266113 /nfs/dbraw/zinc/26/61/13/353266113.db2.gz NLPSXMXPSWCZLQ-UHFFFAOYSA-N 2 2 291.399 0.844 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000156553133 188269501 /nfs/dbraw/zinc/26/95/01/188269501.db2.gz AFFCKTSPFBBGHU-CHWSQXEVSA-N 2 2 276.384 0.709 20 0 CCADLP Cn1cnc2cc(C[NH2+]C[C@](C)(O)C[NH+](C)C)ccc21 ZINC000271681362 191273473 /nfs/dbraw/zinc/27/34/73/191273473.db2.gz OXJCXTVIXFIOCZ-HNNXBMFYSA-N 2 2 276.384 0.976 20 0 CCADLP CC[N@@H+]1CCCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000280623432 353372565 /nfs/dbraw/zinc/37/25/65/353372565.db2.gz WNSUNPHXJIENTA-UHFFFAOYSA-N 2 2 264.373 0.907 20 0 CCADLP CC[N@H+]1CCCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000280623432 353372567 /nfs/dbraw/zinc/37/25/67/353372567.db2.gz WNSUNPHXJIENTA-UHFFFAOYSA-N 2 2 264.373 0.907 20 0 CCADLP Cn1nc([C@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)nc1N ZINC000283972447 353541082 /nfs/dbraw/zinc/54/10/82/353541082.db2.gz IOMPUCFWJTXCBU-LLVKDONJSA-N 2 2 275.360 0.821 20 0 CCADLP Cn1nc([C@H]2CCC[N@H+]2CCCn2cc[nH+]c2)nc1N ZINC000283972447 353541085 /nfs/dbraw/zinc/54/10/85/353541085.db2.gz IOMPUCFWJTXCBU-LLVKDONJSA-N 2 2 275.360 0.821 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000287040017 353624474 /nfs/dbraw/zinc/62/44/74/353624474.db2.gz HKEAZNVFKBQXLW-NSHDSACASA-N 2 2 279.388 0.897 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655467869 412583269 /nfs/dbraw/zinc/58/32/69/412583269.db2.gz OGAIAKOSCGIUJI-UKRRQHHQSA-N 2 2 281.400 0.167 20 0 CCADLP C[C@@H](C(=O)N1CCn2c[nH+]cc2C1)[NH+]1CCSCC1 ZINC000291244877 353775509 /nfs/dbraw/zinc/77/55/09/353775509.db2.gz XRCNNVTYYAMREG-NSHDSACASA-N 2 2 280.397 0.663 20 0 CCADLP CN(C)CC[N@H+](C)CCCNC(=O)CCc1c[nH+]cn1C ZINC000290659191 353740652 /nfs/dbraw/zinc/74/06/52/353740652.db2.gz OEOFRFLSBPWKKX-UHFFFAOYSA-N 2 2 295.431 0.352 20 0 CCADLP CN(C)CC[N@@H+](C)CCCNC(=O)CCc1c[nH+]cn1C ZINC000290659191 353740657 /nfs/dbraw/zinc/74/06/57/353740657.db2.gz OEOFRFLSBPWKKX-UHFFFAOYSA-N 2 2 295.431 0.352 20 0 CCADLP Cc1cc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)ncn1 ZINC000293204176 353796831 /nfs/dbraw/zinc/79/68/31/353796831.db2.gz PCKZJJCUXDDPJO-UHFFFAOYSA-N 2 2 272.356 0.841 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+](C)C[C@H](O)Cc1ccccc1)C1CC1 ZINC000293504122 353816225 /nfs/dbraw/zinc/81/62/25/353816225.db2.gz ZXRFEWPBWVZBRK-IAGOWNOFSA-N 2 2 292.423 0.977 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+](C)C[C@H](O)Cc1ccccc1)C1CC1 ZINC000293504122 353816228 /nfs/dbraw/zinc/81/62/28/353816228.db2.gz ZXRFEWPBWVZBRK-IAGOWNOFSA-N 2 2 292.423 0.977 20 0 CCADLP C[NH+](C[C@H](O)Cc1ccccc1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000293504122 353816231 /nfs/dbraw/zinc/81/62/31/353816231.db2.gz ZXRFEWPBWVZBRK-IAGOWNOFSA-N 2 2 292.423 0.977 20 0 CCADLP C[NH+](C[C@H](O)Cc1ccccc1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000293504122 353816233 /nfs/dbraw/zinc/81/62/33/353816233.db2.gz ZXRFEWPBWVZBRK-IAGOWNOFSA-N 2 2 292.423 0.977 20 0 CCADLP CN(C(=O)c1c[nH]cn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000605660779 363267812 /nfs/dbraw/zinc/26/78/12/363267812.db2.gz ASBVFWXSAGZMCB-ZDUSSCGKSA-N 2 2 291.399 0.650 20 0 CCADLP CN(C(=O)c1c[nH]cn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000605660779 363267818 /nfs/dbraw/zinc/26/78/18/363267818.db2.gz ASBVFWXSAGZMCB-ZDUSSCGKSA-N 2 2 291.399 0.650 20 0 CCADLP CN(C(=O)c1cnc[nH]1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000605660779 363267821 /nfs/dbraw/zinc/26/78/21/363267821.db2.gz ASBVFWXSAGZMCB-ZDUSSCGKSA-N 2 2 291.399 0.650 20 0 CCADLP CN(C(=O)c1cnc[nH]1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000605660779 363267825 /nfs/dbraw/zinc/26/78/25/363267825.db2.gz ASBVFWXSAGZMCB-ZDUSSCGKSA-N 2 2 291.399 0.650 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[C@@H]([NH+]3CC=CC3)C2)nc[nH+]1 ZINC000298810004 353972319 /nfs/dbraw/zinc/97/23/19/353972319.db2.gz FVUDDHVYSAYCLS-QWHCGFSZSA-N 2 2 289.383 0.720 20 0 CCADLP CN(C)C(=O)O[C@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000296728206 353956845 /nfs/dbraw/zinc/95/68/45/353956845.db2.gz NVCBYIURUOCERW-NSHDSACASA-N 2 2 252.318 0.656 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000298131173 353962501 /nfs/dbraw/zinc/96/25/01/353962501.db2.gz AVRSGBNACVCQJV-UHFFFAOYSA-N 2 2 285.351 0.935 20 0 CCADLP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)Cn2cccn2)C[C@H](C)O1 ZINC000556865626 291015518 /nfs/dbraw/zinc/01/55/18/291015518.db2.gz HIFLZOZHTQXOBS-QLFBSQMISA-N 2 2 296.415 0.333 20 0 CCADLP C[C@@H]1C[N@H+](CCC[NH2+]C[C@@H](O)Cn2cccn2)C[C@H](C)O1 ZINC000556865626 291015520 /nfs/dbraw/zinc/01/55/20/291015520.db2.gz HIFLZOZHTQXOBS-QLFBSQMISA-N 2 2 296.415 0.333 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)NCCn1cc[nH+]c1 ZINC000299379674 354012217 /nfs/dbraw/zinc/01/22/17/354012217.db2.gz PLIBAPOLDYIDGM-LLVKDONJSA-N 2 2 253.350 0.523 20 0 CCADLP CC(C)Cn1ncnc1C[N@H+](C)CCOCC[NH3+] ZINC000302453002 354081564 /nfs/dbraw/zinc/08/15/64/354081564.db2.gz VLFSKXJUXMKPRG-UHFFFAOYSA-N 2 2 255.366 0.341 20 0 CCADLP CC(C)Cn1ncnc1C[N@@H+](C)CCOCC[NH3+] ZINC000302453002 354081566 /nfs/dbraw/zinc/08/15/66/354081566.db2.gz VLFSKXJUXMKPRG-UHFFFAOYSA-N 2 2 255.366 0.341 20 0 CCADLP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@H](O)C[NH+](C)C ZINC000305149724 354133883 /nfs/dbraw/zinc/13/38/83/354133883.db2.gz SYUYFXQTBJVLTA-JQWIXIFHSA-N 2 2 252.362 0.310 20 0 CCADLP C[C@H](CNc1nc[nH+]c(N)c1Cl)N1CC[NH+](C)CC1 ZINC000302878640 354091780 /nfs/dbraw/zinc/09/17/80/354091780.db2.gz GLXMUGTZDOHWKO-SECBINFHSA-N 2 2 284.795 0.760 20 0 CCADLP O[C@H](CN1CCC[C@@H]([NH+]2CCCC2)C1)C[NH+]1CCOCC1 ZINC000303106569 354095746 /nfs/dbraw/zinc/09/57/46/354095746.db2.gz FBTVLKZSUMMTHE-CVEARBPZSA-N 2 2 297.443 0.240 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)CN2CC[NH+](C3CC3)CC2)C[C@@H](C)O1 ZINC000303981684 354100322 /nfs/dbraw/zinc/10/03/22/354100322.db2.gz GBDFCGIEMFDGSN-FMKPAKJESA-N 2 2 297.443 0.237 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N(CCO)C2CC2)CC1 ZINC000305725562 354155174 /nfs/dbraw/zinc/15/51/74/354155174.db2.gz XNGVUFDMIUAGKM-UHFFFAOYSA-N 2 2 298.431 0.179 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H]([C@H](C)O)C2)CC1 ZINC000305821076 354164425 /nfs/dbraw/zinc/16/44/25/354164425.db2.gz BGYWWVRNFHOZBS-IHRRRGAJSA-N 2 2 283.416 0.242 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H]([C@H](C)O)C2)CC1 ZINC000305821076 354164429 /nfs/dbraw/zinc/16/44/29/354164429.db2.gz BGYWWVRNFHOZBS-IHRRRGAJSA-N 2 2 283.416 0.242 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H]([C@H](C)O)C2)CC1 ZINC000305821077 354164484 /nfs/dbraw/zinc/16/44/84/354164484.db2.gz BGYWWVRNFHOZBS-MELADBBJSA-N 2 2 283.416 0.242 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H]([C@H](C)O)C2)CC1 ZINC000305821077 354164486 /nfs/dbraw/zinc/16/44/86/354164486.db2.gz BGYWWVRNFHOZBS-MELADBBJSA-N 2 2 283.416 0.242 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCO[C@@H](C)C1 ZINC000310967620 354194529 /nfs/dbraw/zinc/19/45/29/354194529.db2.gz BWPNGYZIBQFYPN-STQMWFEESA-N 2 2 260.378 0.036 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCO[C@@H](C)C1 ZINC000310967620 354194531 /nfs/dbraw/zinc/19/45/31/354194531.db2.gz BWPNGYZIBQFYPN-STQMWFEESA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCO[C@@H](C)C1 ZINC000310967620 354194532 /nfs/dbraw/zinc/19/45/32/354194532.db2.gz BWPNGYZIBQFYPN-STQMWFEESA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCO[C@@H](C)C1 ZINC000310967620 354194535 /nfs/dbraw/zinc/19/45/35/354194535.db2.gz BWPNGYZIBQFYPN-STQMWFEESA-N 2 2 260.378 0.036 20 0 CCADLP CC[C@@H]1CO[C@@H](C)C[N@@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000311432447 354199971 /nfs/dbraw/zinc/19/99/71/354199971.db2.gz DCFWZLSMAFVJQP-BFHYXJOUSA-N 2 2 274.405 0.425 20 0 CCADLP CC[C@@H]1CO[C@@H](C)C[N@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000311432447 354199973 /nfs/dbraw/zinc/19/99/73/354199973.db2.gz DCFWZLSMAFVJQP-BFHYXJOUSA-N 2 2 274.405 0.425 20 0 CCADLP CC[C@@H]1CO[C@@H](C)C[NH+]1C[C@H](O)C[N@H+](C)CCOC ZINC000311432447 354199975 /nfs/dbraw/zinc/19/99/75/354199975.db2.gz DCFWZLSMAFVJQP-BFHYXJOUSA-N 2 2 274.405 0.425 20 0 CCADLP CC[C@@H]1CO[C@@H](C)C[NH+]1C[C@H](O)C[N@@H+](C)CCOC ZINC000311432447 354199978 /nfs/dbraw/zinc/19/99/78/354199978.db2.gz DCFWZLSMAFVJQP-BFHYXJOUSA-N 2 2 274.405 0.425 20 0 CCADLP CN(C(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1)C1CCCCC1 ZINC000313345989 354213781 /nfs/dbraw/zinc/21/37/81/354213781.db2.gz JIOXLAYVANXEJW-CQSZACIVSA-N 2 2 283.416 0.827 20 0 CCADLP CN(C(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1)C1CCCCC1 ZINC000313345989 354213786 /nfs/dbraw/zinc/21/37/86/354213786.db2.gz JIOXLAYVANXEJW-CQSZACIVSA-N 2 2 283.416 0.827 20 0 CCADLP CC[C@H]1CN(c2cc[nH+]c(N(C)C)n2)CC[N@@H+]1C[C@@H](C)O ZINC000607145034 363340031 /nfs/dbraw/zinc/34/00/31/363340031.db2.gz RSNWUKCPANBXQA-OLZOCXBDSA-N 2 2 293.415 0.824 20 0 CCADLP CC[C@H]1CN(c2cc[nH+]c(N(C)C)n2)CC[N@H+]1C[C@@H](C)O ZINC000607145034 363340032 /nfs/dbraw/zinc/34/00/32/363340032.db2.gz RSNWUKCPANBXQA-OLZOCXBDSA-N 2 2 293.415 0.824 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CC=CCC2)[C@H](C[NH3+])C1 ZINC000557167132 291023759 /nfs/dbraw/zinc/02/37/59/291023759.db2.gz HTTJCXMLRMPDCU-VXGBXAGGSA-N 2 2 252.362 0.379 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CC=CCC2)[C@H](C[NH3+])C1 ZINC000557167132 291023760 /nfs/dbraw/zinc/02/37/60/291023760.db2.gz HTTJCXMLRMPDCU-VXGBXAGGSA-N 2 2 252.362 0.379 20 0 CCADLP C[C@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@@H]1n1cc[nH+]c1 ZINC000329474026 354257774 /nfs/dbraw/zinc/25/77/74/354257774.db2.gz BMFAQFKANIHLRC-QWRGUYRKSA-N 2 2 276.344 0.388 20 0 CCADLP C[C@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@@H]1n1cc[nH+]c1 ZINC000329474026 354257775 /nfs/dbraw/zinc/25/77/75/354257775.db2.gz BMFAQFKANIHLRC-QWRGUYRKSA-N 2 2 276.344 0.388 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@@]2(CNC(=O)C2)C1)C1CC1 ZINC000329813208 354260867 /nfs/dbraw/zinc/26/08/67/354260867.db2.gz DHVXNZHNXQWYLN-GXTWGEPZSA-N 2 2 267.373 0.494 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@]2(CNC(=O)C2)C1)C1CC1 ZINC000329813208 354260869 /nfs/dbraw/zinc/26/08/69/354260869.db2.gz DHVXNZHNXQWYLN-GXTWGEPZSA-N 2 2 267.373 0.494 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1)C1CC1 ZINC000329813208 354260873 /nfs/dbraw/zinc/26/08/73/354260873.db2.gz DHVXNZHNXQWYLN-GXTWGEPZSA-N 2 2 267.373 0.494 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@@]2(CNC(=O)C2)C1)C1CC1 ZINC000329813208 354260875 /nfs/dbraw/zinc/26/08/75/354260875.db2.gz DHVXNZHNXQWYLN-GXTWGEPZSA-N 2 2 267.373 0.494 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@]2(CNC(=O)C2)C1)C1CC1 ZINC000329813209 354261144 /nfs/dbraw/zinc/26/11/44/354261144.db2.gz DHVXNZHNXQWYLN-JSGCOSHPSA-N 2 2 267.373 0.494 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@]2(CNC(=O)C2)C1)C1CC1 ZINC000329813209 354261145 /nfs/dbraw/zinc/26/11/45/354261145.db2.gz DHVXNZHNXQWYLN-JSGCOSHPSA-N 2 2 267.373 0.494 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@]2(CNC(=O)C2)C1)C1CC1 ZINC000329813209 354261147 /nfs/dbraw/zinc/26/11/47/354261147.db2.gz DHVXNZHNXQWYLN-JSGCOSHPSA-N 2 2 267.373 0.494 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@]2(CNC(=O)C2)C1)C1CC1 ZINC000329813209 354261150 /nfs/dbraw/zinc/26/11/50/354261150.db2.gz DHVXNZHNXQWYLN-JSGCOSHPSA-N 2 2 267.373 0.494 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000330186752 354304925 /nfs/dbraw/zinc/30/49/25/354304925.db2.gz JZQXJXYSMWYNJS-GFCCVEGCSA-N 2 2 278.404 0.954 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000330186752 354304926 /nfs/dbraw/zinc/30/49/26/354304926.db2.gz JZQXJXYSMWYNJS-GFCCVEGCSA-N 2 2 278.404 0.954 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000330366869 354330984 /nfs/dbraw/zinc/33/09/84/354330984.db2.gz FCENMHRCVVZCDW-WCQYABFASA-N 2 2 253.346 0.663 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000330366869 354330986 /nfs/dbraw/zinc/33/09/86/354330986.db2.gz FCENMHRCVVZCDW-WCQYABFASA-N 2 2 253.346 0.663 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CSC[NH2+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488102 412590991 /nfs/dbraw/zinc/59/09/91/412590991.db2.gz UEPWRMGUNNHRQK-NNYUYHANSA-N 2 2 287.429 0.263 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CSC[NH2+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488102 412590994 /nfs/dbraw/zinc/59/09/94/412590994.db2.gz UEPWRMGUNNHRQK-NNYUYHANSA-N 2 2 287.429 0.263 20 0 CCADLP C[NH+](C)C1CN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)C1 ZINC000271744523 191302144 /nfs/dbraw/zinc/30/21/44/191302144.db2.gz SBUYNCXMZRBUGY-NSHDSACASA-N 2 2 277.372 0.188 20 0 CCADLP CC(C)CN(C(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1)C1CC1 ZINC000557339127 291030989 /nfs/dbraw/zinc/03/09/89/291030989.db2.gz JWCLGTQXZSOAQS-CQSZACIVSA-N 2 2 283.416 0.683 20 0 CCADLP CC(C)CN(C(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1)C1CC1 ZINC000557339127 291030992 /nfs/dbraw/zinc/03/09/92/291030992.db2.gz JWCLGTQXZSOAQS-CQSZACIVSA-N 2 2 283.416 0.683 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](O)C2CCOCC2)n1C ZINC000331243568 354502940 /nfs/dbraw/zinc/50/29/40/354502940.db2.gz PKTQTCKNTSIVAU-CYBMUJFWSA-N 2 2 282.388 0.363 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000557524804 291035258 /nfs/dbraw/zinc/03/52/58/291035258.db2.gz MOIFKZLENGBCDH-GFCCVEGCSA-N 2 2 269.389 0.165 20 0 CCADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)CS(C)(=O)=O ZINC000271749633 191304785 /nfs/dbraw/zinc/30/47/85/191304785.db2.gz XIZWBOOTKYUIEA-NSHDSACASA-N 2 2 256.371 0.955 20 0 CCADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)CS(C)(=O)=O ZINC000271749630 191305733 /nfs/dbraw/zinc/30/57/33/191305733.db2.gz XIZWBOOTKYUIEA-LLVKDONJSA-N 2 2 256.371 0.955 20 0 CCADLP [NH3+]C[C@@H]1CCCN1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000332163782 354623268 /nfs/dbraw/zinc/62/32/68/354623268.db2.gz UASNUZRORSWFFS-OLZOCXBDSA-N 2 2 289.383 0.793 20 0 CCADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000333345016 354756970 /nfs/dbraw/zinc/75/69/70/354756970.db2.gz ZAJZBAFNBUPMNH-FPMFFAJLSA-N 2 2 281.400 0.578 20 0 CCADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000333345016 354756973 /nfs/dbraw/zinc/75/69/73/354756973.db2.gz ZAJZBAFNBUPMNH-FPMFFAJLSA-N 2 2 281.400 0.578 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000333705472 354779385 /nfs/dbraw/zinc/77/93/85/354779385.db2.gz DVSFPABKBVLAGO-UPJWGTAASA-N 2 2 284.404 0.004 20 0 CCADLP C[C@H]1[NH2+]CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)[C@@H]1C ZINC000333708682 354780296 /nfs/dbraw/zinc/78/02/96/354780296.db2.gz FDNKJEFGQJXUSJ-CHWSQXEVSA-N 2 2 296.415 0.243 20 0 CCADLP Cc1nc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)nc(N(C)C)[nH+]1 ZINC000532014875 358490471 /nfs/dbraw/zinc/49/04/71/358490471.db2.gz DASMGXJLFWROGW-RYUDHWBXSA-N 2 2 276.388 0.707 20 0 CCADLP Cc1nc(N[C@H]2CC[N@H+]3CCCC[C@@H]23)nc(N(C)C)[nH+]1 ZINC000532014875 358490474 /nfs/dbraw/zinc/49/04/74/358490474.db2.gz DASMGXJLFWROGW-RYUDHWBXSA-N 2 2 276.388 0.707 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000333871372 354808598 /nfs/dbraw/zinc/80/85/98/354808598.db2.gz UQKPUXWKEIWPRG-UPJWGTAASA-N 2 2 291.399 0.917 20 0 CCADLP [NH3+]C1(CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CCC1 ZINC000333887728 354810938 /nfs/dbraw/zinc/81/09/38/354810938.db2.gz XMTANMRTPIMZJE-ZDUSSCGKSA-N 2 2 296.415 0.374 20 0 CCADLP C[C@H]1C[C@H]([NH2+]Cc2c[nH+]cn2C)C(=O)N1c1cnn(C)c1 ZINC000608075322 363399042 /nfs/dbraw/zinc/39/90/42/363399042.db2.gz MVKKPGAZIHLIHD-GWCFXTLKSA-N 2 2 288.355 0.437 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000557730543 291043890 /nfs/dbraw/zinc/04/38/90/291043890.db2.gz PAQZRJLPJOLLAS-UHFFFAOYSA-N 2 2 269.308 0.927 20 0 CCADLP CO[C@@H]1CC[N@H+](CCOC[C@@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000576280416 335182193 /nfs/dbraw/zinc/18/21/93/335182193.db2.gz UWXKMZJBGHBORJ-MJBXVCDLSA-N 2 2 272.389 0.620 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC[NH2+]1 ZINC000423626883 235022025 /nfs/dbraw/zinc/02/20/25/235022025.db2.gz SZBFVRLQLNWNQK-VHDGCEQUSA-N 2 2 295.427 0.744 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC[NH2+]1 ZINC000423626883 235022027 /nfs/dbraw/zinc/02/20/27/235022027.db2.gz SZBFVRLQLNWNQK-VHDGCEQUSA-N 2 2 295.427 0.744 20 0 CCADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000423746401 235050960 /nfs/dbraw/zinc/05/09/60/235050960.db2.gz RFAQYAHCEKCYDX-ZDUSSCGKSA-N 2 2 291.399 0.206 20 0 CCADLP C[C@]1([NH3+])CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000423748172 235053484 /nfs/dbraw/zinc/05/34/84/235053484.db2.gz ANSSHSXQKJXHBE-YCPHGPKFSA-N 2 2 295.427 0.873 20 0 CCADLP C[C@]1([NH3+])CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000423748172 235053487 /nfs/dbraw/zinc/05/34/87/235053487.db2.gz ANSSHSXQKJXHBE-YCPHGPKFSA-N 2 2 295.427 0.873 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)[C@H]3C[C@@H]([NH3+])C3)cn21 ZINC000335464117 354997974 /nfs/dbraw/zinc/99/79/74/354997974.db2.gz HXXMHPQVEJNPBN-PHIMTYICSA-N 2 2 258.325 0.996 20 0 CCADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000335859348 355029791 /nfs/dbraw/zinc/02/97/91/355029791.db2.gz YAQWFMKMMXIUTF-WDEREUQCSA-N 2 2 250.346 0.893 20 0 CCADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000335859348 355029795 /nfs/dbraw/zinc/02/97/95/355029795.db2.gz YAQWFMKMMXIUTF-WDEREUQCSA-N 2 2 250.346 0.893 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)C[C@H](C)O1 ZINC000423762994 235065223 /nfs/dbraw/zinc/06/52/23/235065223.db2.gz PDPQYVKNDBRVBS-XQLPTFJDSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)C[C@H](C)O1 ZINC000423762994 235065229 /nfs/dbraw/zinc/06/52/29/235065229.db2.gz PDPQYVKNDBRVBS-XQLPTFJDSA-N 2 2 297.443 0.942 20 0 CCADLP COC[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000423824503 235091995 /nfs/dbraw/zinc/09/19/95/235091995.db2.gz VZWUUKAKUZWDGB-AAEUAGOBSA-N 2 2 297.424 0.927 20 0 CCADLP CO[C@@H]1CC[N@@H+](CCOC[C@@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000576280416 335182195 /nfs/dbraw/zinc/18/21/95/335182195.db2.gz UWXKMZJBGHBORJ-MJBXVCDLSA-N 2 2 272.389 0.620 20 0 CCADLP C[C@H]([NH3+])C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000423934563 235124903 /nfs/dbraw/zinc/12/49/03/235124903.db2.gz ZGLZDVKDDNXBOZ-WDEREUQCSA-N 2 2 278.356 0.475 20 0 CCADLP [NH3+][C@@H]1C[C@@H]1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000424137136 235158791 /nfs/dbraw/zinc/15/87/91/235158791.db2.gz RQOUEERJNCVJQV-NWDGAFQWSA-N 2 2 260.341 0.645 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCCNC2=O)C1 ZINC000336692134 355137360 /nfs/dbraw/zinc/13/73/60/355137360.db2.gz BOBXVMZMPLACFZ-QWHCGFSZSA-N 2 2 253.390 0.929 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCCNC2=O)C1 ZINC000336692134 355137363 /nfs/dbraw/zinc/13/73/63/355137363.db2.gz BOBXVMZMPLACFZ-QWHCGFSZSA-N 2 2 253.390 0.929 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC000336692134 355137364 /nfs/dbraw/zinc/13/73/64/355137364.db2.gz BOBXVMZMPLACFZ-QWHCGFSZSA-N 2 2 253.390 0.929 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC000336692134 355137366 /nfs/dbraw/zinc/13/73/66/355137366.db2.gz BOBXVMZMPLACFZ-QWHCGFSZSA-N 2 2 253.390 0.929 20 0 CCADLP O=C1[C@@H]([N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CCN1C1CC1 ZINC000336837852 355209033 /nfs/dbraw/zinc/20/90/33/355209033.db2.gz FXALDZIROPYPCG-HIFRSBDPSA-N 2 2 293.411 0.404 20 0 CCADLP O=C1[C@@H]([N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CCN1C1CC1 ZINC000336837852 355209036 /nfs/dbraw/zinc/20/90/36/355209036.db2.gz FXALDZIROPYPCG-HIFRSBDPSA-N 2 2 293.411 0.404 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCN(Cc2cnn(C)c2)CC1 ZINC000336837514 355209717 /nfs/dbraw/zinc/20/97/17/355209717.db2.gz NXFRWSNRRPUNRA-UHFFFAOYSA-N 2 2 288.399 0.743 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000336802269 355176607 /nfs/dbraw/zinc/17/66/07/355176607.db2.gz TVXUPJOPQHGVOH-ZDUSSCGKSA-N 2 2 283.397 0.843 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000336802269 355176610 /nfs/dbraw/zinc/17/66/10/355176610.db2.gz TVXUPJOPQHGVOH-ZDUSSCGKSA-N 2 2 283.397 0.843 20 0 CCADLP C[C@H]1CN(CCC[NH+]2CCOCC2)C[C@H](C)[NH+]1C ZINC000336895363 355222406 /nfs/dbraw/zinc/22/24/06/355222406.db2.gz YOUGKMQQYCFOIP-KBPBESRZSA-N 2 2 255.406 0.733 20 0 CCADLP Cn1cc([C@@H]2C[N@H+](Cc3cccc(N)c3)C[C@H]2[NH3+])cn1 ZINC000424303004 235195757 /nfs/dbraw/zinc/19/57/57/235195757.db2.gz YQMXQKARZPYAFH-LSDHHAIUSA-N 2 2 271.368 0.929 20 0 CCADLP Cn1cc([C@@H]2C[N@@H+](Cc3cccc(N)c3)C[C@H]2[NH3+])cn1 ZINC000424303004 235195761 /nfs/dbraw/zinc/19/57/61/235195761.db2.gz YQMXQKARZPYAFH-LSDHHAIUSA-N 2 2 271.368 0.929 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000339169942 355499488 /nfs/dbraw/zinc/49/94/88/355499488.db2.gz KLPQGLXDTSREJM-TZMCWYRMSA-N 2 2 276.384 0.905 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000339169942 355499491 /nfs/dbraw/zinc/49/94/91/355499491.db2.gz KLPQGLXDTSREJM-TZMCWYRMSA-N 2 2 276.384 0.905 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@H]2CCOC2)CC1 ZINC000340248916 355537666 /nfs/dbraw/zinc/53/76/66/355537666.db2.gz AAQYOACQUJOOSA-CYBMUJFWSA-N 2 2 298.431 0.348 20 0 CCADLP CC1CC[NH+](CC(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000532137809 358496863 /nfs/dbraw/zinc/49/68/63/358496863.db2.gz YBRYCLHHTAPBLE-CQSZACIVSA-N 2 2 283.416 0.555 20 0 CCADLP CC1CC[NH+](CC(=O)NCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000532137809 358496866 /nfs/dbraw/zinc/49/68/66/358496866.db2.gz YBRYCLHHTAPBLE-CQSZACIVSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NCC[N@H+]2CCOC[C@H]2C)CC[NH+]1C ZINC000341116995 355609608 /nfs/dbraw/zinc/60/96/08/355609608.db2.gz FYWRUDXNCVFTHP-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NCC[N@@H+]2CCOC[C@H]2C)CC[NH+]1C ZINC000341116995 355609610 /nfs/dbraw/zinc/60/96/10/355609610.db2.gz FYWRUDXNCVFTHP-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000341116995 355609612 /nfs/dbraw/zinc/60/96/12/355609612.db2.gz FYWRUDXNCVFTHP-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000341116995 355609613 /nfs/dbraw/zinc/60/96/13/355609613.db2.gz FYWRUDXNCVFTHP-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C[NH+](C)C ZINC000341232177 355636238 /nfs/dbraw/zinc/63/62/38/355636238.db2.gz WNWSTKVKHSRHGW-VXGBXAGGSA-N 2 2 264.373 0.759 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC000342764306 355740779 /nfs/dbraw/zinc/74/07/79/355740779.db2.gz HHFRPJVXUSJIQY-NSHDSACASA-N 2 2 291.342 0.022 20 0 CCADLP Cc1c[nH+]c(CN2CCC[N@@H+]([C@@H](C)CO)CC2)n1C ZINC000342797204 355748560 /nfs/dbraw/zinc/74/85/60/355748560.db2.gz NLBZXJJNZOEVHK-ZDUSSCGKSA-N 2 2 266.389 0.617 20 0 CCADLP Cc1c[nH+]c(CN2CCC[N@H+]([C@@H](C)CO)CC2)n1C ZINC000342797204 355748563 /nfs/dbraw/zinc/74/85/63/355748563.db2.gz NLBZXJJNZOEVHK-ZDUSSCGKSA-N 2 2 266.389 0.617 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)CC(N)=O)CC1 ZINC000342803103 355749440 /nfs/dbraw/zinc/74/94/40/355749440.db2.gz USSVXKOPLOLEEN-NSHDSACASA-N 2 2 285.388 0.258 20 0 CCADLP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343886630 355779124 /nfs/dbraw/zinc/77/91/24/355779124.db2.gz KETYHQZFSYRKMH-ILXRZTDVSA-N 2 2 296.459 0.421 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC[C@@H]2C[NH+](C3CC3)CCO2)C1 ZINC000344066912 355784345 /nfs/dbraw/zinc/78/43/45/355784345.db2.gz IDEDDJVPVVUTHG-UKRRQHHQSA-N 2 2 283.416 0.160 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC[C@@H]2C[NH+](C3CC3)CCO2)C1 ZINC000344066912 355784351 /nfs/dbraw/zinc/78/43/51/355784351.db2.gz IDEDDJVPVVUTHG-UKRRQHHQSA-N 2 2 283.416 0.160 20 0 CCADLP COCC[NH+]1CC[C@@H](NC[C@@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000344066912 355784353 /nfs/dbraw/zinc/78/43/53/355784353.db2.gz IDEDDJVPVVUTHG-UKRRQHHQSA-N 2 2 283.416 0.160 20 0 CCADLP COCC[NH+]1CC[C@@H](NC[C@@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000344066912 355784359 /nfs/dbraw/zinc/78/43/59/355784359.db2.gz IDEDDJVPVVUTHG-UKRRQHHQSA-N 2 2 283.416 0.160 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000345434547 355825896 /nfs/dbraw/zinc/82/58/96/355825896.db2.gz MNWWVAPSUJPELZ-MGPQQGTHSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000345434547 355825898 /nfs/dbraw/zinc/82/58/98/355825898.db2.gz MNWWVAPSUJPELZ-MGPQQGTHSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)CCn2cc[nH+]c2)C[C@H](C)O1 ZINC000345411582 355819309 /nfs/dbraw/zinc/81/93/09/355819309.db2.gz LTWGQYWOKUBDFZ-OKILXGFUSA-N 2 2 294.399 0.841 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)CCn2cc[nH+]c2)C[C@H](C)O1 ZINC000345411582 355819314 /nfs/dbraw/zinc/81/93/14/355819314.db2.gz LTWGQYWOKUBDFZ-OKILXGFUSA-N 2 2 294.399 0.841 20 0 CCADLP C[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)[NH+]1CCN(C)CC1 ZINC000346268609 355869771 /nfs/dbraw/zinc/86/97/71/355869771.db2.gz KLUQYWADUFYBKI-GOEBONIOSA-N 2 2 294.443 0.177 20 0 CCADLP C[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)[NH+]1CCN(C)CC1 ZINC000346268609 355869772 /nfs/dbraw/zinc/86/97/72/355869772.db2.gz KLUQYWADUFYBKI-GOEBONIOSA-N 2 2 294.443 0.177 20 0 CCADLP O=C1C[N@H+](C[C@@H]2CCC[NH2+]C2)[C@@H]2CCCC[C@H]2N1 ZINC000346843518 355874371 /nfs/dbraw/zinc/87/43/71/355874371.db2.gz JOJLVSXRTPPCFH-JHJVBQTASA-N 2 2 251.374 0.729 20 0 CCADLP O=C1C[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@@H]2CCCC[C@H]2N1 ZINC000346843518 355874373 /nfs/dbraw/zinc/87/43/73/355874373.db2.gz JOJLVSXRTPPCFH-JHJVBQTASA-N 2 2 251.374 0.729 20 0 CCADLP CCn1cnc2c(c1=O)CC[N@H+](CCn1cc[nH+]c1)C2 ZINC000348350039 355917039 /nfs/dbraw/zinc/91/70/39/355917039.db2.gz OHNRKVSYIUIIFB-UHFFFAOYSA-N 2 2 273.340 0.518 20 0 CCADLP CCn1cnc2c(c1=O)CC[N@@H+](CCn1cc[nH+]c1)C2 ZINC000348350039 355917044 /nfs/dbraw/zinc/91/70/44/355917044.db2.gz OHNRKVSYIUIIFB-UHFFFAOYSA-N 2 2 273.340 0.518 20 0 CCADLP CC[N@@H+]1CCN(CCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000352668686 356048297 /nfs/dbraw/zinc/04/82/97/356048297.db2.gz UIGRYMVEMXHGLA-AWEZNQCLSA-N 2 2 255.406 0.735 20 0 CCADLP CC[N@H+]1CCN(CCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000352668686 356048298 /nfs/dbraw/zinc/04/82/98/356048298.db2.gz UIGRYMVEMXHGLA-AWEZNQCLSA-N 2 2 255.406 0.735 20 0 CCADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H](CO)[C@@H]2CCCO2)s1 ZINC000352713291 356061570 /nfs/dbraw/zinc/06/15/70/356061570.db2.gz SBEMCMOXTZERQC-RYUDHWBXSA-N 2 2 285.413 0.834 20 0 CCADLP COC[C@@H](O)CC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352742053 356068648 /nfs/dbraw/zinc/06/86/48/356068648.db2.gz LGNRNSQYCSXTDN-JTQLQIEISA-N 2 2 273.402 0.692 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1c(C)cnn1C ZINC000352814049 356087676 /nfs/dbraw/zinc/08/76/76/356087676.db2.gz KDXAGGSTWYYROP-CYBMUJFWSA-N 2 2 266.389 0.929 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1c(C)cnn1C ZINC000352814049 356087677 /nfs/dbraw/zinc/08/76/77/356087677.db2.gz KDXAGGSTWYYROP-CYBMUJFWSA-N 2 2 266.389 0.929 20 0 CCADLP CC(C)[NH2+]C1CC[NH+](Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000353128574 356161848 /nfs/dbraw/zinc/16/18/48/356161848.db2.gz RPESXZPDNAYXLL-UHFFFAOYSA-N 2 2 294.399 0.046 20 0 CCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H]([NH3+])CC(C)C)CC1 ZINC000353201363 356177222 /nfs/dbraw/zinc/17/72/22/356177222.db2.gz GCWFEJQZOIDRDH-CHWSQXEVSA-N 2 2 299.415 0.456 20 0 CCADLP COc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+](C)C)cc1O ZINC000353390486 356214413 /nfs/dbraw/zinc/21/44/13/356214413.db2.gz UWFJMCIWJXASJS-JQWIXIFHSA-N 2 2 268.357 0.974 20 0 CCADLP C[NH+]1CCO[C@H](CNC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)C1 ZINC000353398533 356215354 /nfs/dbraw/zinc/21/53/54/356215354.db2.gz ZXLFXBSHAGZXAI-MCIONIFRSA-N 2 2 296.415 0.053 20 0 CCADLP C[NH+]1CCO[C@H](CNC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)C1 ZINC000353398533 356215355 /nfs/dbraw/zinc/21/53/55/356215355.db2.gz ZXLFXBSHAGZXAI-MCIONIFRSA-N 2 2 296.415 0.053 20 0 CCADLP C[NH+]1CC[C@@H]2CCN(C(=O)NC[C@@H]3C[N@H+](C)CCO3)[C@H]2C1 ZINC000353398533 356215356 /nfs/dbraw/zinc/21/53/56/356215356.db2.gz ZXLFXBSHAGZXAI-MCIONIFRSA-N 2 2 296.415 0.053 20 0 CCADLP C[NH+]1CC[C@@H]2CCN(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)[C@H]2C1 ZINC000353398533 356215357 /nfs/dbraw/zinc/21/53/57/356215357.db2.gz ZXLFXBSHAGZXAI-MCIONIFRSA-N 2 2 296.415 0.053 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000353432247 356221674 /nfs/dbraw/zinc/22/16/74/356221674.db2.gz RUZVSCSPEHGVCX-KFWWJZLASA-N 2 2 296.459 0.373 20 0 CCADLP C[C@H]1[C@H](Nc2cc[nH+]c(N3CCOCC3)n2)CCC[N@@H+]1C ZINC000353284388 356194567 /nfs/dbraw/zinc/19/45/67/356194567.db2.gz YXAHJLVINJKDPB-QWHCGFSZSA-N 2 2 291.399 0.630 20 0 CCADLP C[C@H]1[C@H](Nc2cc[nH+]c(N3CCOCC3)n2)CCC[N@H+]1C ZINC000353284388 356194569 /nfs/dbraw/zinc/19/45/69/356194569.db2.gz YXAHJLVINJKDPB-QWHCGFSZSA-N 2 2 291.399 0.630 20 0 CCADLP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000360815006 138011952 /nfs/dbraw/zinc/01/19/52/138011952.db2.gz DGAKRUNIRATQKV-UWVGGRQHSA-N 2 2 261.316 0.442 20 0 CCADLP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000360815006 138011953 /nfs/dbraw/zinc/01/19/53/138011953.db2.gz DGAKRUNIRATQKV-UWVGGRQHSA-N 2 2 261.316 0.442 20 0 CCADLP O=C(C[NH2+]Cc1cocn1)NCC[NH+]1CCCCCC1 ZINC000353672352 356270526 /nfs/dbraw/zinc/27/05/26/356270526.db2.gz QJHQUCHDQLBEJP-UHFFFAOYSA-N 2 2 280.372 0.756 20 0 CCADLP CCCCOCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000360876289 138014591 /nfs/dbraw/zinc/01/45/91/138014591.db2.gz ZPKGRYREHUATIC-UHFFFAOYSA-N 2 2 285.432 0.945 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)[C@@H]([NH3+])c2ccccc2)n1C ZINC000353697450 356275490 /nfs/dbraw/zinc/27/54/90/356275490.db2.gz CYSPTXHTYGGKOP-ZDUSSCGKSA-N 2 2 287.367 0.802 20 0 CCADLP CN(C)C(=O)CC[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000353998442 356327807 /nfs/dbraw/zinc/32/78/07/356327807.db2.gz VGKXBBXVBFKSID-UHFFFAOYSA-N 2 2 279.388 0.016 20 0 CCADLP CC(C)[C@@](C)(O)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000353932046 356317076 /nfs/dbraw/zinc/31/70/76/356317076.db2.gz KYKBCSJAMFKVGQ-OAHLLOKOSA-N 2 2 285.432 0.536 20 0 CCADLP CC[NH+]1CCC([NH2+][C@@H]2CCN(C3CC3)C2=O)CC1 ZINC000361247346 138026153 /nfs/dbraw/zinc/02/61/53/138026153.db2.gz WQQUUHVMLREOLS-CYBMUJFWSA-N 2 2 251.374 0.824 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+](C)C[C@H]2CCOC2)n1C ZINC000362281508 138053569 /nfs/dbraw/zinc/05/35/69/138053569.db2.gz CDEHOSIMZDMEGB-LLVKDONJSA-N 2 2 252.362 0.954 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+](C)C[C@H]2CCOC2)n1C ZINC000362281508 138053570 /nfs/dbraw/zinc/05/35/70/138053570.db2.gz CDEHOSIMZDMEGB-LLVKDONJSA-N 2 2 252.362 0.954 20 0 CCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000362565727 138064279 /nfs/dbraw/zinc/06/42/79/138064279.db2.gz UWQLVLDMOGXVKU-VXGBXAGGSA-N 2 2 291.399 0.701 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@@H](F)C[NH2+]1 ZINC000362893350 138079774 /nfs/dbraw/zinc/07/97/74/138079774.db2.gz NSXUSIMITPFXGS-MNOVXSKESA-N 2 2 268.336 0.855 20 0 CCADLP CCNC(=O)C1(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CCC1 ZINC000363002621 138083865 /nfs/dbraw/zinc/08/38/65/138083865.db2.gz WWPZDXSEITYIIX-NWDGAFQWSA-N 2 2 253.390 0.833 20 0 CCADLP CCNC(=O)C1(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CCC1 ZINC000363002621 138083866 /nfs/dbraw/zinc/08/38/66/138083866.db2.gz WWPZDXSEITYIIX-NWDGAFQWSA-N 2 2 253.390 0.833 20 0 CCADLP Cc1cccnc1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362661140 138068186 /nfs/dbraw/zinc/06/81/86/138068186.db2.gz CCKCUPKEJMQVHM-CQSZACIVSA-N 2 2 288.395 0.786 20 0 CCADLP Cc1cccnc1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362661140 138068187 /nfs/dbraw/zinc/06/81/87/138068187.db2.gz CCKCUPKEJMQVHM-CQSZACIVSA-N 2 2 288.395 0.786 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NCc2c[nH+]ccc2N(C)C)C1 ZINC000273624767 192233919 /nfs/dbraw/zinc/23/39/19/192233919.db2.gz RGGQIVBTFVTIBQ-CQSZACIVSA-N 2 2 278.400 0.958 20 0 CCADLP COCC[N@H+]1CC[C@@H](NCc2c[nH+]ccc2N(C)C)C1 ZINC000273624767 192233922 /nfs/dbraw/zinc/23/39/22/192233922.db2.gz RGGQIVBTFVTIBQ-CQSZACIVSA-N 2 2 278.400 0.958 20 0 CCADLP COCCN1CC[C@@H]([NH2+]Cc2c[nH+]ccc2N(C)C)C1 ZINC000273624767 192233924 /nfs/dbraw/zinc/23/39/24/192233924.db2.gz RGGQIVBTFVTIBQ-CQSZACIVSA-N 2 2 278.400 0.958 20 0 CCADLP C[C@H](CF)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000354623667 356456013 /nfs/dbraw/zinc/45/60/13/356456013.db2.gz FPAIDVMSZFRBSG-LLVKDONJSA-N 2 2 274.384 0.670 20 0 CCADLP Cc1cc(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)cc[nH+]1 ZINC000354708962 356479454 /nfs/dbraw/zinc/47/94/54/356479454.db2.gz JLYBWPGUNKFJDK-GFCCVEGCSA-N 2 2 276.340 0.009 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157361 363475042 /nfs/dbraw/zinc/47/50/42/363475042.db2.gz FZVLSIYCIKXYDC-UWVGGRQHSA-N 2 2 265.317 0.103 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157361 363475046 /nfs/dbraw/zinc/47/50/46/363475046.db2.gz FZVLSIYCIKXYDC-UWVGGRQHSA-N 2 2 265.317 0.103 20 0 CCADLP COC[C@@H](C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000355070876 356566561 /nfs/dbraw/zinc/56/65/61/356566561.db2.gz NCVKLVWLEDWIIN-GFCCVEGCSA-N 2 2 286.420 0.347 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609257759 363480636 /nfs/dbraw/zinc/48/06/36/363480636.db2.gz DJEWMQWHPHFTBK-RYUDHWBXSA-N 2 2 294.355 0.198 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609257759 363480637 /nfs/dbraw/zinc/48/06/37/363480637.db2.gz DJEWMQWHPHFTBK-RYUDHWBXSA-N 2 2 294.355 0.198 20 0 CCADLP COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609257755 363481050 /nfs/dbraw/zinc/48/10/50/363481050.db2.gz DJEWMQWHPHFTBK-NEPJUHHUSA-N 2 2 294.355 0.198 20 0 CCADLP COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609257755 363481055 /nfs/dbraw/zinc/48/10/55/363481055.db2.gz DJEWMQWHPHFTBK-NEPJUHHUSA-N 2 2 294.355 0.198 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC000328805099 202066824 /nfs/dbraw/zinc/06/68/24/202066824.db2.gz CWWHOXIHVQXCLX-CYBMUJFWSA-N 2 2 294.399 0.532 20 0 CCADLP COCC[N@H+]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC000328805099 202066826 /nfs/dbraw/zinc/06/68/26/202066826.db2.gz CWWHOXIHVQXCLX-CYBMUJFWSA-N 2 2 294.399 0.532 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000355090902 356574628 /nfs/dbraw/zinc/57/46/28/356574628.db2.gz HIVVEEJTHKLHCW-QWRGUYRKSA-N 2 2 265.361 0.447 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCOC[C@H]1C ZINC000355094142 356575132 /nfs/dbraw/zinc/57/51/32/356575132.db2.gz YRKWNMVHLRDFJI-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCOC[C@H]1C ZINC000355094142 356575138 /nfs/dbraw/zinc/57/51/38/356575138.db2.gz YRKWNMVHLRDFJI-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000355094142 356575141 /nfs/dbraw/zinc/57/51/41/356575141.db2.gz YRKWNMVHLRDFJI-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000355094142 356575147 /nfs/dbraw/zinc/57/51/47/356575147.db2.gz YRKWNMVHLRDFJI-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000356284022 356740450 /nfs/dbraw/zinc/74/04/50/356740450.db2.gz QMJNEFPGOWTSHK-QWHCGFSZSA-N 2 2 285.432 0.990 20 0 CCADLP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000356284022 356740452 /nfs/dbraw/zinc/74/04/52/356740452.db2.gz QMJNEFPGOWTSHK-QWHCGFSZSA-N 2 2 285.432 0.990 20 0 CCADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359292980 356796200 /nfs/dbraw/zinc/79/62/00/356796200.db2.gz AMNJQPCUQMRJMS-MELADBBJSA-N 2 2 265.401 0.785 20 0 CCADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359292980 356796203 /nfs/dbraw/zinc/79/62/03/356796203.db2.gz AMNJQPCUQMRJMS-MELADBBJSA-N 2 2 265.401 0.785 20 0 CCADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000359296410 356796897 /nfs/dbraw/zinc/79/68/97/356796897.db2.gz CVCBUAYVHRRZAJ-LJISPDSOSA-N 2 2 293.411 0.308 20 0 CCADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000359296410 356796903 /nfs/dbraw/zinc/79/69/03/356796903.db2.gz CVCBUAYVHRRZAJ-LJISPDSOSA-N 2 2 293.411 0.308 20 0 CCADLP Cc1cc(C)n2c(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cnc2n1 ZINC000359455074 356824657 /nfs/dbraw/zinc/82/46/57/356824657.db2.gz BUJPUWJLNZHFEJ-BETUJISGSA-N 2 2 271.368 0.997 20 0 CCADLP Cc1cc(C)n2c(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cnc2n1 ZINC000359455074 356824659 /nfs/dbraw/zinc/82/46/59/356824659.db2.gz BUJPUWJLNZHFEJ-BETUJISGSA-N 2 2 271.368 0.997 20 0 CCADLP CCNC(=O)C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC000359455468 356825062 /nfs/dbraw/zinc/82/50/62/356825062.db2.gz JGNWFVFCDKYWIP-UHFFFAOYSA-N 2 2 262.357 0.648 20 0 CCADLP c1nc(N2CCOCC2)sc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359476327 356828342 /nfs/dbraw/zinc/82/83/42/356828342.db2.gz UHYBVJSOCMKNBC-RYUDHWBXSA-N 2 2 294.424 0.631 20 0 CCADLP CC[NH+]1CCN(CC(=O)N2C[C@H](C)[NH+](C)[C@@H](C)C2)CC1 ZINC000358711999 356782873 /nfs/dbraw/zinc/78/28/73/356782873.db2.gz QVYFQRRWFAMARM-KBPBESRZSA-N 2 2 282.432 0.175 20 0 CCADLP Cc1nnc(NCC[NH+]2CCC([NH+](C)C)CC2)nc1C ZINC000359582133 356850521 /nfs/dbraw/zinc/85/05/21/356850521.db2.gz VSRODQTUAIHKDF-UHFFFAOYSA-N 2 2 278.404 0.348 20 0 CCADLP COCC[N@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)C[C@H]1C ZINC000360028527 356936883 /nfs/dbraw/zinc/93/68/83/356936883.db2.gz FYQFDVFKBALNPH-ZIAGYGMSSA-N 3 2 257.422 0.885 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+](C)C[C@H]1C ZINC000360028527 356936886 /nfs/dbraw/zinc/93/68/86/356936886.db2.gz FYQFDVFKBALNPH-ZIAGYGMSSA-N 3 2 257.422 0.885 20 0 CCADLP COCC[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000360028527 356936889 /nfs/dbraw/zinc/93/68/89/356936889.db2.gz FYQFDVFKBALNPH-ZIAGYGMSSA-N 3 2 257.422 0.885 20 0 CCADLP COCC[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000360028527 356936893 /nfs/dbraw/zinc/93/68/93/356936893.db2.gz FYQFDVFKBALNPH-ZIAGYGMSSA-N 3 2 257.422 0.885 20 0 CCADLP C[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000360085999 356945141 /nfs/dbraw/zinc/94/51/41/356945141.db2.gz CFUMDLGNJJHHPG-UONOGXRCSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@H]1C[NH+](CCN(C)C(=O)Cn2cc[nH+]c2)C[C@H](C)O1 ZINC000360489027 357024715 /nfs/dbraw/zinc/02/47/15/357024715.db2.gz LEAJYVGOJLQNCK-STQMWFEESA-N 2 2 280.372 0.451 20 0 CCADLP O[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C[NH+]1CCCC1 ZINC000655698387 412647824 /nfs/dbraw/zinc/64/78/24/412647824.db2.gz AXQSYSUMIFABON-HOTGVXAUSA-N 3 2 297.443 0.286 20 0 CCADLP CN1CC[NH+](CC2(C)CC[NH+]([C@@H]3CCOC3=O)CC2)CC1 ZINC000364946646 357132506 /nfs/dbraw/zinc/13/25/06/357132506.db2.gz TVRGQPCBVXXCSM-CQSZACIVSA-N 2 2 295.427 0.651 20 0 CCADLP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)N2CCOCC2)CC1 ZINC000365407345 357149848 /nfs/dbraw/zinc/14/98/48/357149848.db2.gz ZWFAOEHRNGSETB-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)N2CCOCC2)CC1 ZINC000365407345 357149851 /nfs/dbraw/zinc/14/98/51/357149851.db2.gz ZWFAOEHRNGSETB-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365621162 357162633 /nfs/dbraw/zinc/16/26/33/357162633.db2.gz DBRFNXZXXPMOCH-ZDUSSCGKSA-N 2 2 294.399 0.752 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365621162 357162634 /nfs/dbraw/zinc/16/26/34/357162634.db2.gz DBRFNXZXXPMOCH-ZDUSSCGKSA-N 2 2 294.399 0.752 20 0 CCADLP CN1CCC[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1=O ZINC000655719348 412651996 /nfs/dbraw/zinc/65/19/96/412651996.db2.gz RQAKQZMHQFNFMD-UONOGXRCSA-N 2 2 281.400 0.450 20 0 CCADLP CNS(=O)(=O)[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000371197622 357367406 /nfs/dbraw/zinc/36/74/06/357367406.db2.gz JTXAMIUTHGGLMY-STQMWFEESA-N 2 2 289.445 0.484 20 0 CCADLP CNS(=O)(=O)[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000371197622 357367409 /nfs/dbraw/zinc/36/74/09/357367409.db2.gz JTXAMIUTHGGLMY-STQMWFEESA-N 2 2 289.445 0.484 20 0 CCADLP CNS(=O)(=O)[C@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000371197622 357367413 /nfs/dbraw/zinc/36/74/13/357367413.db2.gz JTXAMIUTHGGLMY-STQMWFEESA-N 2 2 289.445 0.484 20 0 CCADLP CNS(=O)(=O)[C@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000371197622 357367416 /nfs/dbraw/zinc/36/74/16/357367416.db2.gz JTXAMIUTHGGLMY-STQMWFEESA-N 2 2 289.445 0.484 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000610583334 363581921 /nfs/dbraw/zinc/58/19/21/363581921.db2.gz DKZCNHBJUAUPFA-JTQLQIEISA-N 2 2 294.355 0.267 20 0 CCADLP CCc1nc(N2CC[N@@H+]3CCOC[C@@H]3C2)cc(C)[nH+]1 ZINC000376438129 357468575 /nfs/dbraw/zinc/46/85/75/357468575.db2.gz XPMDHLMJWNGTQY-LBPRGKRZSA-N 2 2 262.357 0.868 20 0 CCADLP CCc1nc(N2CC[N@H+]3CCOC[C@@H]3C2)cc(C)[nH+]1 ZINC000376438129 357468577 /nfs/dbraw/zinc/46/85/77/357468577.db2.gz XPMDHLMJWNGTQY-LBPRGKRZSA-N 2 2 262.357 0.868 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCn3ccnc32)C1 ZINC000655755263 412655628 /nfs/dbraw/zinc/65/56/28/412655628.db2.gz VNCPKMLGLRAVFK-AAEUAGOBSA-N 2 2 250.346 0.374 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCn3ccnc32)C1 ZINC000655755263 412655632 /nfs/dbraw/zinc/65/56/32/412655632.db2.gz VNCPKMLGLRAVFK-AAEUAGOBSA-N 2 2 250.346 0.374 20 0 CCADLP Cc1cnn([C@H]2CC[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000377760100 357613025 /nfs/dbraw/zinc/61/30/25/357613025.db2.gz LVSKWXOEBDRTBP-AWEZNQCLSA-N 2 2 291.399 0.212 20 0 CCADLP Cc1cnn([C@H]2CC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000377760100 357613029 /nfs/dbraw/zinc/61/30/29/357613029.db2.gz LVSKWXOEBDRTBP-AWEZNQCLSA-N 2 2 291.399 0.212 20 0 CCADLP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)N1CC[NH+]2CCC1CC2 ZINC000378102279 357647476 /nfs/dbraw/zinc/64/74/76/357647476.db2.gz RFLKGCHVVOXYRR-LLVKDONJSA-N 2 2 289.383 0.757 20 0 CCADLP O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)N1CC[NH+]2CCC1CC2 ZINC000378102279 357647481 /nfs/dbraw/zinc/64/74/81/357647481.db2.gz RFLKGCHVVOXYRR-LLVKDONJSA-N 2 2 289.383 0.757 20 0 CCADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]CC[C@H]1CCOC1 ZINC000449397963 236033017 /nfs/dbraw/zinc/03/30/17/236033017.db2.gz WRDDFFMDYLJETJ-KBPBESRZSA-N 2 2 256.390 0.849 20 0 CCADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]CC[C@H]1CCOC1 ZINC000449397963 236033020 /nfs/dbraw/zinc/03/30/20/236033020.db2.gz WRDDFFMDYLJETJ-KBPBESRZSA-N 2 2 256.390 0.849 20 0 CCADLP C([C@H]1CCCO1)[NH+]1CCC([NH2+]C2COCCOC2)CC1 ZINC000655769950 412658929 /nfs/dbraw/zinc/65/89/29/412658929.db2.gz UDNUDLAONJAJNK-OAHLLOKOSA-N 2 2 284.400 0.635 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000380391853 357703688 /nfs/dbraw/zinc/70/36/88/357703688.db2.gz CGUSJEUYDPZQHD-UPJWGTAASA-N 2 2 256.390 0.513 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000380391853 357703690 /nfs/dbraw/zinc/70/36/90/357703690.db2.gz CGUSJEUYDPZQHD-UPJWGTAASA-N 2 2 256.390 0.513 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000380391853 357703692 /nfs/dbraw/zinc/70/36/92/357703692.db2.gz CGUSJEUYDPZQHD-UPJWGTAASA-N 2 2 256.390 0.513 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000380391853 357703693 /nfs/dbraw/zinc/70/36/93/357703693.db2.gz CGUSJEUYDPZQHD-UPJWGTAASA-N 2 2 256.390 0.513 20 0 CCADLP C[C@@H]1C[N@H+](CCO)CCN1c1cc(NCC2CC2)[nH+]cn1 ZINC000450957635 236125881 /nfs/dbraw/zinc/12/58/81/236125881.db2.gz USZBASUHLIHKIV-GFCCVEGCSA-N 2 2 291.399 0.801 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)CCN1c1cc(NCC2CC2)[nH+]cn1 ZINC000450957635 236125883 /nfs/dbraw/zinc/12/58/83/236125883.db2.gz USZBASUHLIHKIV-GFCCVEGCSA-N 2 2 291.399 0.801 20 0 CCADLP C[NH+]1CCC(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000561092571 291117056 /nfs/dbraw/zinc/11/70/56/291117056.db2.gz XCWOUBXQUNICBF-LLVKDONJSA-N 2 2 262.357 0.656 20 0 CCADLP CN(C)C(=O)C1([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CCCCC1 ZINC000451409144 236157951 /nfs/dbraw/zinc/15/79/51/236157951.db2.gz GDSNCGAUQXTTJU-CQSZACIVSA-N 2 2 297.443 0.822 20 0 CCADLP CN(C)C(=O)C1([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CCCCC1 ZINC000451409144 236157953 /nfs/dbraw/zinc/15/79/53/236157953.db2.gz GDSNCGAUQXTTJU-CQSZACIVSA-N 2 2 297.443 0.822 20 0 CCADLP O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000408126746 357928604 /nfs/dbraw/zinc/92/86/04/357928604.db2.gz BHIVLNNTWQNYCA-CHWSQXEVSA-N 2 2 289.383 0.463 20 0 CCADLP O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000408126746 357928607 /nfs/dbraw/zinc/92/86/07/357928607.db2.gz BHIVLNNTWQNYCA-CHWSQXEVSA-N 2 2 289.383 0.463 20 0 CCADLP CCC[NH+]1CCC([N@H+](C)CC(=O)NCCOCC)CC1 ZINC000084694559 283318458 /nfs/dbraw/zinc/31/84/58/283318458.db2.gz JVZNVAAIDNZTCC-UHFFFAOYSA-N 2 2 285.432 0.945 20 0 CCADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)NCCOCC)CC1 ZINC000084694559 283318459 /nfs/dbraw/zinc/31/84/59/283318459.db2.gz JVZNVAAIDNZTCC-UHFFFAOYSA-N 2 2 285.432 0.945 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000294591627 199099324 /nfs/dbraw/zinc/09/93/24/199099324.db2.gz MPCSDZGBLBFQTF-LBPRGKRZSA-N 2 2 265.313 0.037 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000294591627 199099326 /nfs/dbraw/zinc/09/93/26/199099326.db2.gz MPCSDZGBLBFQTF-LBPRGKRZSA-N 2 2 265.313 0.037 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000329173290 202217455 /nfs/dbraw/zinc/21/74/55/202217455.db2.gz LIEXFZMFBYWQKU-CYBMUJFWSA-N 2 2 292.383 0.521 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000329173290 202217456 /nfs/dbraw/zinc/21/74/56/202217456.db2.gz LIEXFZMFBYWQKU-CYBMUJFWSA-N 2 2 292.383 0.521 20 0 CCADLP C[C@](C[NH3+])([NH2+]CC(=O)N1CCO[C@H]2CCCC[C@H]21)C1CC1 ZINC000430594693 358227068 /nfs/dbraw/zinc/22/70/68/358227068.db2.gz GVCPSTBTLYRGGM-IJEWVQPXSA-N 2 2 295.427 0.873 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC(=O)NC(C)(C)C)C1 ZINC000430604425 358228475 /nfs/dbraw/zinc/22/84/75/358228475.db2.gz NDSWYYLCFPXFOJ-NEPJUHHUSA-N 2 2 298.431 0.931 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC(=O)NC(C)(C)C)C1 ZINC000430604425 358228479 /nfs/dbraw/zinc/22/84/79/358228479.db2.gz NDSWYYLCFPXFOJ-NEPJUHHUSA-N 2 2 298.431 0.931 20 0 CCADLP COC1(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CCOCC1 ZINC000428869406 358222461 /nfs/dbraw/zinc/22/24/61/358222461.db2.gz AXIXYRVYWRJFLH-ZDUSSCGKSA-N 2 2 299.415 0.111 20 0 CCADLP COC1(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CCOCC1 ZINC000428869406 358222466 /nfs/dbraw/zinc/22/24/66/358222466.db2.gz AXIXYRVYWRJFLH-ZDUSSCGKSA-N 2 2 299.415 0.111 20 0 CCADLP O=C(/C=C\c1[nH]cc[nH+]1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000493448226 358308353 /nfs/dbraw/zinc/30/83/53/358308353.db2.gz IAJDQGFLAVWEIW-SCOBNMCVSA-N 2 2 290.367 0.746 20 0 CCADLP C[C@H](C[NH2+][C@H]1CCC(=O)NC1(C)C)C[NH+]1CCOCC1 ZINC000562364927 291146863 /nfs/dbraw/zinc/14/68/63/291146863.db2.gz LCAOGWGEDQKICZ-OLZOCXBDSA-N 2 2 283.416 0.602 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157421113 283362730 /nfs/dbraw/zinc/36/27/30/283362730.db2.gz ZABQDMAINCXBCC-STQMWFEESA-N 2 2 296.415 0.781 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157421113 283362733 /nfs/dbraw/zinc/36/27/33/283362733.db2.gz ZABQDMAINCXBCC-STQMWFEESA-N 2 2 296.415 0.781 20 0 CCADLP Cn1ccc(C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000530244600 358384895 /nfs/dbraw/zinc/38/48/95/358384895.db2.gz ZZADZGJUTHXWGA-UHFFFAOYSA-N 2 2 291.399 0.168 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)C1 ZINC000565549047 358562712 /nfs/dbraw/zinc/56/27/12/358562712.db2.gz MHCABJRIDDESKC-KFWWJZLASA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)C1 ZINC000565549047 358562713 /nfs/dbraw/zinc/56/27/13/358562713.db2.gz MHCABJRIDDESKC-KFWWJZLASA-N 2 2 295.427 0.650 20 0 CCADLP Cc1cn2cc(NC(=O)NC[C@@H]3C[NH2+]CCO3)ccc2[nH+]1 ZINC000565586506 358563125 /nfs/dbraw/zinc/56/31/25/358563125.db2.gz RZQKZAUYRGKFPM-LBPRGKRZSA-N 2 2 289.339 0.753 20 0 CCADLP C[C@@H](O)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000565712050 358565230 /nfs/dbraw/zinc/56/52/30/358565230.db2.gz NZNVQTATHFWYLG-DUJLVANISA-N 2 2 283.416 0.429 20 0 CCADLP C[C@@H](O)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000565712050 358565232 /nfs/dbraw/zinc/56/52/32/358565232.db2.gz NZNVQTATHFWYLG-DUJLVANISA-N 2 2 283.416 0.429 20 0 CCADLP CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366478224 283379297 /nfs/dbraw/zinc/37/92/97/283379297.db2.gz DJGCELLGHKOMLI-OCCSQVGLSA-N 2 2 253.390 0.929 20 0 CCADLP CCCNC(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366478224 283379302 /nfs/dbraw/zinc/37/93/02/283379302.db2.gz DJGCELLGHKOMLI-OCCSQVGLSA-N 2 2 253.390 0.929 20 0 CCADLP CCCNC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366478224 283379304 /nfs/dbraw/zinc/37/93/04/283379304.db2.gz DJGCELLGHKOMLI-OCCSQVGLSA-N 2 2 253.390 0.929 20 0 CCADLP CCCNC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366478224 283379307 /nfs/dbraw/zinc/37/93/07/283379307.db2.gz DJGCELLGHKOMLI-OCCSQVGLSA-N 2 2 253.390 0.929 20 0 CCADLP C[N@@H+]1CCN(Cc2nccn2CC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000567871512 358602520 /nfs/dbraw/zinc/60/25/20/358602520.db2.gz LNWLCCYZTSOGIJ-JTQLQIEISA-N 2 2 291.321 0.520 20 0 CCADLP C[N@H+]1CCN(Cc2nccn2CC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000567871512 358602526 /nfs/dbraw/zinc/60/25/26/358602526.db2.gz LNWLCCYZTSOGIJ-JTQLQIEISA-N 2 2 291.321 0.520 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH+](C)C ZINC000567966324 358618531 /nfs/dbraw/zinc/61/85/31/358618531.db2.gz FNLQAHXIZMUAPY-WDEREUQCSA-N 2 2 250.346 0.512 20 0 CCADLP CC[NH+]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000568011385 358625493 /nfs/dbraw/zinc/62/54/93/358625493.db2.gz MLULNZNMODBNIC-GFCCVEGCSA-N 2 2 250.346 0.998 20 0 CCADLP C[C@@H](CC(=O)N(C)CC[NH+]1CCOCC1)n1cc[nH+]c1 ZINC000568021617 358625862 /nfs/dbraw/zinc/62/58/62/358625862.db2.gz ZFQZIZQDQXEKBL-ZDUSSCGKSA-N 2 2 280.372 0.625 20 0 CCADLP C[C@@H](CCCC[NH3+])NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000568087183 358632081 /nfs/dbraw/zinc/63/20/81/358632081.db2.gz UIMDYFPNZQNYID-NSHDSACASA-N 2 2 288.355 0.910 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]2COCC[C@H]21 ZINC000568164919 358637928 /nfs/dbraw/zinc/63/79/28/358637928.db2.gz CYSOJUBUQBCSJI-QLFBSQMISA-N 2 2 286.416 0.426 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]2COCC[C@H]21 ZINC000568164919 358637934 /nfs/dbraw/zinc/63/79/34/358637934.db2.gz CYSOJUBUQBCSJI-QLFBSQMISA-N 2 2 286.416 0.426 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000568164919 358637937 /nfs/dbraw/zinc/63/79/37/358637937.db2.gz CYSOJUBUQBCSJI-QLFBSQMISA-N 2 2 286.416 0.426 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000568164919 358637941 /nfs/dbraw/zinc/63/79/41/358637941.db2.gz CYSOJUBUQBCSJI-QLFBSQMISA-N 2 2 286.416 0.426 20 0 CCADLP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000568507063 358679952 /nfs/dbraw/zinc/67/99/52/358679952.db2.gz VTIIQKDZYHCMLQ-ONGXEEELSA-N 2 2 268.386 0.743 20 0 CCADLP CC[N@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000568507063 358679953 /nfs/dbraw/zinc/67/99/53/358679953.db2.gz VTIIQKDZYHCMLQ-ONGXEEELSA-N 2 2 268.386 0.743 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000569234833 358746340 /nfs/dbraw/zinc/74/63/40/358746340.db2.gz LYZYAPJJMNFMTC-KBPBESRZSA-N 2 2 297.443 0.536 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000569234833 358746342 /nfs/dbraw/zinc/74/63/42/358746342.db2.gz LYZYAPJJMNFMTC-KBPBESRZSA-N 2 2 297.443 0.536 20 0 CCADLP Cc1ncncc1[C@@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000568879017 358714211 /nfs/dbraw/zinc/71/42/11/358714211.db2.gz DMALKFNBLIBLDA-DGCLKSJQSA-N 2 2 263.389 0.681 20 0 CCADLP Cc1ncncc1[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000568879017 358714212 /nfs/dbraw/zinc/71/42/12/358714212.db2.gz DMALKFNBLIBLDA-DGCLKSJQSA-N 2 2 263.389 0.681 20 0 CCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCn3c[nH+]cc3C1)CC2 ZINC000569010250 358726257 /nfs/dbraw/zinc/72/62/57/358726257.db2.gz LGXJCFVSNGMGFQ-GFCCVEGCSA-N 2 2 285.351 0.993 20 0 CCADLP Cc1cncc(C[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000569111343 358735116 /nfs/dbraw/zinc/73/51/16/358735116.db2.gz REIAHQWUCWBTQB-FMKPAKJESA-N 2 2 293.411 0.950 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(c2ccncn2)CC1 ZINC000570056578 358818859 /nfs/dbraw/zinc/81/88/59/358818859.db2.gz IXOCVBOBFASXEP-AWEZNQCLSA-N 2 2 278.400 0.969 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2ccncn2)CC1 ZINC000570056578 358818865 /nfs/dbraw/zinc/81/88/65/358818865.db2.gz IXOCVBOBFASXEP-AWEZNQCLSA-N 2 2 278.400 0.969 20 0 CCADLP C[NH+]1CCC(O)(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000570096573 358821916 /nfs/dbraw/zinc/82/19/16/358821916.db2.gz ORIRGFWTKFKJRH-GFCCVEGCSA-N 2 2 292.383 0.018 20 0 CCADLP CN1CCN(C(=O)Nc2ccn3cc[nH+]c3c2)[C@@H](C[NH3+])C1 ZINC000569674641 358783732 /nfs/dbraw/zinc/78/37/32/358783732.db2.gz DUKXDYZQRDQZLI-LBPRGKRZSA-N 2 2 288.355 0.441 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000569676681 358784267 /nfs/dbraw/zinc/78/42/67/358784267.db2.gz QAFDOZWYYSNEEX-STQMWFEESA-N 2 2 284.404 0.006 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000569676681 358784269 /nfs/dbraw/zinc/78/42/69/358784269.db2.gz QAFDOZWYYSNEEX-STQMWFEESA-N 2 2 284.404 0.006 20 0 CCADLP C[C@@H]1CCCC[C@H]1C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000569808736 358794566 /nfs/dbraw/zinc/79/45/66/358794566.db2.gz JHFSYOKHRJCOAP-JHJVBQTASA-N 2 2 253.390 0.914 20 0 CCADLP C[C@@H]1CCCC[C@H]1C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000569808736 358794568 /nfs/dbraw/zinc/79/45/68/358794568.db2.gz JHFSYOKHRJCOAP-JHJVBQTASA-N 2 2 253.390 0.914 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)NCCC[NH+]1CCOCC1 ZINC000562651158 291161893 /nfs/dbraw/zinc/16/18/93/291161893.db2.gz JLBAKLWCTPRDHB-AWEZNQCLSA-N 2 2 298.431 0.444 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCCC[NH+]1CCOCC1 ZINC000562651158 291161894 /nfs/dbraw/zinc/16/18/94/291161894.db2.gz JLBAKLWCTPRDHB-AWEZNQCLSA-N 2 2 298.431 0.444 20 0 CCADLP C[C@@H](C[NH2+]CCC(=O)NC(N)=O)[N@H+](C)Cc1ccccc1 ZINC000569921233 358805306 /nfs/dbraw/zinc/80/53/06/358805306.db2.gz PKAZZDVNXROIQD-LBPRGKRZSA-N 2 2 292.383 0.682 20 0 CCADLP C[C@@H](C[NH2+]CCC(=O)NC(N)=O)[N@@H+](C)Cc1ccccc1 ZINC000569921233 358805310 /nfs/dbraw/zinc/80/53/10/358805310.db2.gz PKAZZDVNXROIQD-LBPRGKRZSA-N 2 2 292.383 0.682 20 0 CCADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]([NH3+])c1cscn1 ZINC000570568830 358870354 /nfs/dbraw/zinc/87/03/54/358870354.db2.gz NQLBGALORGJWQI-GXSJLCMTSA-N 2 2 270.402 0.975 20 0 CCADLP Cc1nn(C)c(C)c1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000570739219 358890554 /nfs/dbraw/zinc/89/05/54/358890554.db2.gz MCWUXEZBTGZAOW-UHFFFAOYSA-N 2 2 280.416 0.973 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000570794873 358895278 /nfs/dbraw/zinc/89/52/78/358895278.db2.gz IRGQIXUUGWBKCT-UXXRCYHCSA-N 2 2 286.416 0.614 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000570794873 358895281 /nfs/dbraw/zinc/89/52/81/358895281.db2.gz IRGQIXUUGWBKCT-UXXRCYHCSA-N 2 2 286.416 0.614 20 0 CCADLP COC1CC[NH+](C(C)(C)CNC(=O)Cn2cc[nH+]c2)CC1 ZINC000573534801 358975721 /nfs/dbraw/zinc/97/57/21/358975721.db2.gz JIBPRZBDWITGMB-UHFFFAOYSA-N 2 2 294.399 0.889 20 0 CCADLP O[C@@H]1COC[C@H]1[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000571221672 358924015 /nfs/dbraw/zinc/92/40/15/358924015.db2.gz DYIGKPCQWPZWII-JHJVBQTASA-N 2 2 250.298 0.294 20 0 CCADLP O[C@@H]1COC[C@H]1[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000571221672 358924016 /nfs/dbraw/zinc/92/40/16/358924016.db2.gz DYIGKPCQWPZWII-JHJVBQTASA-N 2 2 250.298 0.294 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CC(=O)NCC1(C)C ZINC000573101175 358937596 /nfs/dbraw/zinc/93/75/96/358937596.db2.gz JASMDUCXCVTTHN-UHFFFAOYSA-N 2 2 250.346 0.563 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CC(=O)NCC1(C)C ZINC000573101175 358937599 /nfs/dbraw/zinc/93/75/99/358937599.db2.gz JASMDUCXCVTTHN-UHFFFAOYSA-N 2 2 250.346 0.563 20 0 CCADLP O[C@H](C[NH2+]CCCNc1cccc[nH+]1)Cn1cccn1 ZINC000573358214 358959532 /nfs/dbraw/zinc/95/95/32/358959532.db2.gz GTGDIDZXGNHFDW-CYBMUJFWSA-N 2 2 275.356 0.731 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCC12CCC2 ZINC000574050692 359023564 /nfs/dbraw/zinc/02/35/64/359023564.db2.gz JVJZASKEMXATEH-CYBMUJFWSA-N 2 2 256.390 0.944 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC12CCC2 ZINC000574050692 359023568 /nfs/dbraw/zinc/02/35/68/359023568.db2.gz JVJZASKEMXATEH-CYBMUJFWSA-N 2 2 256.390 0.944 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC12CCC2 ZINC000574050692 359023573 /nfs/dbraw/zinc/02/35/73/359023573.db2.gz JVJZASKEMXATEH-CYBMUJFWSA-N 2 2 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Cc1nn(C(C)C)cc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000582371197 359140970 /nfs/dbraw/zinc/14/09/70/359140970.db2.gz QMBUJOWECDQNFQ-KBPBESRZSA-N 2 2 291.399 0.516 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](OCCOC)C1 ZINC000582428601 359147295 /nfs/dbraw/zinc/14/72/95/359147295.db2.gz UMGQAEHDOYUMTF-QWHCGFSZSA-N 2 2 260.378 0.036 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](OCCOC)C1 ZINC000582428601 359147297 /nfs/dbraw/zinc/14/72/97/359147297.db2.gz UMGQAEHDOYUMTF-QWHCGFSZSA-N 2 2 260.378 0.036 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](OCCOC)C1 ZINC000582428601 359147299 /nfs/dbraw/zinc/14/72/99/359147299.db2.gz UMGQAEHDOYUMTF-QWHCGFSZSA-N 2 2 260.378 0.036 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](OCCOC)C1 ZINC000582428601 359147302 /nfs/dbraw/zinc/14/73/02/359147302.db2.gz UMGQAEHDOYUMTF-QWHCGFSZSA-N 2 2 260.378 0.036 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000584589771 359176466 /nfs/dbraw/zinc/17/64/66/359176466.db2.gz 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ZINC000562933297 291173540 /nfs/dbraw/zinc/17/35/40/291173540.db2.gz FCWLIGQGTCCVMQ-UONOGXRCSA-N 2 2 274.405 0.426 20 0 CCADLP CC[C@]1(C)C[NH+](C[C@@H](O)C[N@H+](C)CCOC)CCO1 ZINC000562933297 291173542 /nfs/dbraw/zinc/17/35/42/291173542.db2.gz FCWLIGQGTCCVMQ-UONOGXRCSA-N 2 2 274.405 0.426 20 0 CCADLP CC[C@]1(C)C[NH+](C[C@@H](O)C[N@@H+](C)CCOC)CCO1 ZINC000562933297 291173545 /nfs/dbraw/zinc/17/35/45/291173545.db2.gz FCWLIGQGTCCVMQ-UONOGXRCSA-N 2 2 274.405 0.426 20 0 CCADLP C[C@H]([NH2+]CCC[NH+](C)C)C1CCS(=O)(=O)CC1 ZINC000353910353 299290594 /nfs/dbraw/zinc/29/05/94/299290594.db2.gz CRSAQLHYRFCMEN-NSHDSACASA-N 2 2 262.419 0.741 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CCO[C@H](C)C1 ZINC000591176917 359566779 /nfs/dbraw/zinc/56/67/79/359566779.db2.gz HAGKMBIOYNOFLZ-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CCO[C@H](C)C1 ZINC000591176917 359566784 /nfs/dbraw/zinc/56/67/84/359566784.db2.gz HAGKMBIOYNOFLZ-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000591176917 359566790 /nfs/dbraw/zinc/56/67/90/359566790.db2.gz HAGKMBIOYNOFLZ-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000591176917 359566796 /nfs/dbraw/zinc/56/67/96/359566796.db2.gz HAGKMBIOYNOFLZ-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP COCC[N@@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC000592090349 359752197 /nfs/dbraw/zinc/75/21/97/359752197.db2.gz CYPMMWMPBSFIIK-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP COCC[N@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC000592090349 359752200 /nfs/dbraw/zinc/75/22/00/359752200.db2.gz CYPMMWMPBSFIIK-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)CC3([NH3+])CCC3)C2)CC1 ZINC000592134339 359762714 /nfs/dbraw/zinc/76/27/14/359762714.db2.gz SEYKXJWOKDAIMV-CQSZACIVSA-N 2 2 294.443 0.496 20 0 CCADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000592278417 359809957 /nfs/dbraw/zinc/80/99/57/359809957.db2.gz RMGPYXBYGHQPTD-FZMZJTMJSA-N 2 2 297.399 0.115 20 0 CCADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000592278417 359809962 /nfs/dbraw/zinc/80/99/62/359809962.db2.gz RMGPYXBYGHQPTD-FZMZJTMJSA-N 2 2 297.399 0.115 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000621155325 366656560 /nfs/dbraw/zinc/65/65/60/366656560.db2.gz CXQNUWPAXQYFML-CHWSQXEVSA-N 2 2 269.389 0.164 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000621155325 366656562 /nfs/dbraw/zinc/65/65/62/366656562.db2.gz CXQNUWPAXQYFML-CHWSQXEVSA-N 2 2 269.389 0.164 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[NH2+]1 ZINC000621157303 366657437 /nfs/dbraw/zinc/65/74/37/366657437.db2.gz STGKAJIOYCMYFI-LBPRGKRZSA-N 2 2 250.346 0.419 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000563349225 291215455 /nfs/dbraw/zinc/21/54/55/291215455.db2.gz FNEMXOFJMHDASZ-BYNSBNAKSA-N 2 2 286.416 0.567 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000563349225 291215456 /nfs/dbraw/zinc/21/54/56/291215456.db2.gz FNEMXOFJMHDASZ-BYNSBNAKSA-N 2 2 286.416 0.567 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000563349225 291215458 /nfs/dbraw/zinc/21/54/58/291215458.db2.gz FNEMXOFJMHDASZ-BYNSBNAKSA-N 2 2 286.416 0.567 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000563349225 291215459 /nfs/dbraw/zinc/21/54/59/291215459.db2.gz FNEMXOFJMHDASZ-BYNSBNAKSA-N 2 2 286.416 0.567 20 0 CCADLP COc1ncc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c(C)n1 ZINC000563357455 291216412 /nfs/dbraw/zinc/21/64/12/291216412.db2.gz VKJUURAGLKGWQU-UHFFFAOYSA-N 2 2 288.355 0.839 20 0 CCADLP COC(=O)C[C@@H]1COCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000593987984 360227610 /nfs/dbraw/zinc/22/76/10/360227610.db2.gz BUTQDYNKTPMWMH-CYBMUJFWSA-N 2 2 281.356 0.617 20 0 CCADLP COC(=O)C[C@@H]1COCC[N@H+]1CCCc1c[nH+]cn1C ZINC000593987984 360227615 /nfs/dbraw/zinc/22/76/15/360227615.db2.gz BUTQDYNKTPMWMH-CYBMUJFWSA-N 2 2 281.356 0.617 20 0 CCADLP Cn1cc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cn1 ZINC000177144578 189032145 /nfs/dbraw/zinc/03/21/45/189032145.db2.gz STPDVKDZQBWBOV-UHFFFAOYSA-N 2 2 279.388 0.176 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c(C)o1 ZINC000594611571 360339396 /nfs/dbraw/zinc/33/93/96/360339396.db2.gz GYLYLYRMGWIJIM-CYBMUJFWSA-N 2 2 296.367 0.921 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N(C)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000563406402 291225011 /nfs/dbraw/zinc/22/50/11/291225011.db2.gz IXFCGKRSGYIRAW-AWEZNQCLSA-N 2 2 297.443 0.897 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N(C)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000563406402 291225013 /nfs/dbraw/zinc/22/50/13/291225013.db2.gz IXFCGKRSGYIRAW-AWEZNQCLSA-N 2 2 297.443 0.897 20 0 CCADLP c1cc2n(n1)C[C@@H](C[NH2+]CCCn1cc[nH+]c1)CN2 ZINC000595139784 360443040 /nfs/dbraw/zinc/44/30/40/360443040.db2.gz UFIDLULKJCAUTQ-LBPRGKRZSA-N 2 2 260.345 0.801 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000594989344 360430827 /nfs/dbraw/zinc/43/08/27/360430827.db2.gz WUXPYUNTPFYHBS-GFCCVEGCSA-N 2 2 277.372 0.704 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000594989344 360430835 /nfs/dbraw/zinc/43/08/35/360430835.db2.gz WUXPYUNTPFYHBS-GFCCVEGCSA-N 2 2 277.372 0.704 20 0 CCADLP COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000595665215 360613952 /nfs/dbraw/zinc/61/39/52/360613952.db2.gz VILVLNZDFKSVSI-WDEREUQCSA-N 2 2 253.302 0.193 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655929043 412703599 /nfs/dbraw/zinc/70/35/99/412703599.db2.gz XRTMXLHXEWRZKH-ZETCQYMHSA-N 2 2 279.266 0.592 20 0 CCADLP CSCC1(CCNC(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000595940693 360716707 /nfs/dbraw/zinc/71/67/07/360716707.db2.gz UFNCVBZLJAQEPH-LLVKDONJSA-N 2 2 273.446 0.915 20 0 CCADLP CC(C)n1cc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000655933162 412707345 /nfs/dbraw/zinc/70/73/45/412707345.db2.gz APOKNUUJSDVAGI-LBPRGKRZSA-N 2 2 280.376 0.571 20 0 CCADLP CC(C)n1cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000655933162 412707349 /nfs/dbraw/zinc/70/73/49/412707349.db2.gz APOKNUUJSDVAGI-LBPRGKRZSA-N 2 2 280.376 0.571 20 0 CCADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](C)C[C@H]1C[NH3+] ZINC000563591213 291239501 /nfs/dbraw/zinc/23/95/01/291239501.db2.gz FGMIGNSRFQGQGQ-ZIAGYGMSSA-N 3 2 299.463 0.391 20 0 CCADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](C)C[C@H]1C[NH3+] ZINC000563591213 291239503 /nfs/dbraw/zinc/23/95/03/291239503.db2.gz FGMIGNSRFQGQGQ-ZIAGYGMSSA-N 3 2 299.463 0.391 20 0 CCADLP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000563591213 291239504 /nfs/dbraw/zinc/23/95/04/291239504.db2.gz FGMIGNSRFQGQGQ-ZIAGYGMSSA-N 3 2 299.463 0.391 20 0 CCADLP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000563591213 291239506 /nfs/dbraw/zinc/23/95/06/291239506.db2.gz FGMIGNSRFQGQGQ-ZIAGYGMSSA-N 3 2 299.463 0.391 20 0 CCADLP CC(C)(C)n1nnc(C[NH+]2CCC(CC[NH3+])CC2)n1 ZINC000655941778 412709251 /nfs/dbraw/zinc/70/92/51/412709251.db2.gz BAPVFMBBCUFKIG-UHFFFAOYSA-N 2 2 266.393 0.989 20 0 CCADLP C[C@@H](CC(=O)N1CCCO[C@H](C[NH3+])C1)n1cc[nH+]c1 ZINC000563632282 291243550 /nfs/dbraw/zinc/24/35/50/291243550.db2.gz ZGKLFVUBIDKYBD-NWDGAFQWSA-N 2 2 266.345 0.410 20 0 CCADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccnn1C ZINC000453271845 299317756 /nfs/dbraw/zinc/31/77/56/299317756.db2.gz UJOKLVNVYCPEKP-QWHCGFSZSA-N 2 2 266.389 0.918 20 0 CCADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccnn1C ZINC000453271845 299317758 /nfs/dbraw/zinc/31/77/58/299317758.db2.gz UJOKLVNVYCPEKP-QWHCGFSZSA-N 2 2 266.389 0.918 20 0 CCADLP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](C)S(C)(=O)=O)C1 ZINC000563806525 291251184 /nfs/dbraw/zinc/25/11/84/291251184.db2.gz ZEKHQPKXHGEZDK-OLZOCXBDSA-N 2 2 276.446 0.987 20 0 CCADLP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](C)S(C)(=O)=O)C1 ZINC000563806525 291251185 /nfs/dbraw/zinc/25/11/85/291251185.db2.gz ZEKHQPKXHGEZDK-OLZOCXBDSA-N 2 2 276.446 0.987 20 0 CCADLP CCOc1cncc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000621335489 366738740 /nfs/dbraw/zinc/73/87/40/366738740.db2.gz OAUFZCDQPSVFGI-CQSZACIVSA-N 2 2 278.400 0.816 20 0 CCADLP CCOc1cncc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000621335489 366738743 /nfs/dbraw/zinc/73/87/43/366738743.db2.gz OAUFZCDQPSVFGI-CQSZACIVSA-N 2 2 278.400 0.816 20 0 CCADLP C[C@@H]1OCC[C@H]1C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000631824239 370689791 /nfs/dbraw/zinc/68/97/91/370689791.db2.gz ZELWJKXULLGBOU-IHRRRGAJSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000631824239 370689795 /nfs/dbraw/zinc/68/97/95/370689795.db2.gz ZELWJKXULLGBOU-IHRRRGAJSA-N 2 2 281.400 0.308 20 0 CCADLP C[N@@H+]1CCN(C(=O)C[C@@H]([NH3+])Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000564309013 291273569 /nfs/dbraw/zinc/27/35/69/291273569.db2.gz YRMRPATZWZFJNG-LSDHHAIUSA-N 3 2 290.411 0.048 20 0 CCADLP C[N@H+]1CCN(C(=O)C[C@@H]([NH3+])Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000564309013 291273571 /nfs/dbraw/zinc/27/35/71/291273571.db2.gz YRMRPATZWZFJNG-LSDHHAIUSA-N 3 2 290.411 0.048 20 0 CCADLP COC(=O)CC1CCC([NH2+]C[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000599028278 361557865 /nfs/dbraw/zinc/55/78/65/361557865.db2.gz UPKHPLPPEJBYHW-YMAMQOFZSA-N 2 2 297.443 0.944 20 0 CCADLP COC(=O)CC1CCC([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000599028278 361557868 /nfs/dbraw/zinc/55/78/68/361557868.db2.gz UPKHPLPPEJBYHW-YMAMQOFZSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]Cc2cccn2C)C[C@@H](C)O1 ZINC000564444945 291279389 /nfs/dbraw/zinc/27/93/89/291279389.db2.gz VYMMYXBSDVNWPA-UMVBOHGHSA-N 2 2 281.400 0.585 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000599325052 361652436 /nfs/dbraw/zinc/65/24/36/361652436.db2.gz DSVGQQRSQJQJMM-ZDUSSCGKSA-N 2 2 272.389 0.763 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000599389068 361681832 /nfs/dbraw/zinc/68/18/32/361681832.db2.gz BGFAIMFIYPYXCS-GJZGRUSLSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000599389068 361681835 /nfs/dbraw/zinc/68/18/35/361681835.db2.gz BGFAIMFIYPYXCS-GJZGRUSLSA-N 2 2 295.427 0.794 20 0 CCADLP CCNC(=O)C(C)(C)C[NH2+]Cc1c[nH+]c(C)n1C ZINC000564583520 291287312 /nfs/dbraw/zinc/28/73/12/291287312.db2.gz CCHPKZQRPNPECV-UHFFFAOYSA-N 2 2 252.362 0.980 20 0 CCADLP C[NH+](C)[C@H]1CN(Cc2c[nH+]c3ccccn23)C[C@@H]1O ZINC000564665493 291292766 /nfs/dbraw/zinc/29/27/66/291292766.db2.gz IVRORZMXCHHHPI-STQMWFEESA-N 2 2 260.341 0.441 20 0 CCADLP [NH3+]Cc1ccc2c(c1)N(CC[NH+]1CCOCC1)CCO2 ZINC000631831232 370697860 /nfs/dbraw/zinc/69/78/60/370697860.db2.gz WZGDFISHBLCCPN-UHFFFAOYSA-N 2 2 277.368 0.676 20 0 CCADLP O=C(N[C@H]1CC12CC[NH2+]CC2)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000612988264 364072871 /nfs/dbraw/zinc/07/28/71/364072871.db2.gz PQYCJFKEVQZRHI-GWCFXTLKSA-N 2 2 289.383 0.708 20 0 CCADLP O=C(N[C@H]1CC12CC[NH2+]CC2)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000612988264 364072879 /nfs/dbraw/zinc/07/28/79/364072879.db2.gz PQYCJFKEVQZRHI-GWCFXTLKSA-N 2 2 289.383 0.708 20 0 CCADLP C[C@]1(NC(=O)NCCCCn2cc[nH+]c2)CC[NH2+]C1 ZINC000612872507 364028222 /nfs/dbraw/zinc/02/82/22/364028222.db2.gz JUOVNDOQAJJZNU-ZDUSSCGKSA-N 2 2 265.361 0.715 20 0 CCADLP C[C@H](NC(=O)N[C@]1(C)CC[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000612879012 364032137 /nfs/dbraw/zinc/03/21/37/364032137.db2.gz QFBBNSFIKTYFNO-SGMGOOAPSA-N 2 2 284.404 0.147 20 0 CCADLP C[C@]1(NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC[NH2+]C1 ZINC000612903427 364039138 /nfs/dbraw/zinc/03/91/38/364039138.db2.gz YZVIMGVRSMBQLQ-MFKMUULPSA-N 2 2 263.345 0.249 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631832320 370699370 /nfs/dbraw/zinc/69/93/70/370699370.db2.gz CWEXQHAVFQLZNF-QWHCGFSZSA-N 2 2 271.405 0.731 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631832320 370699375 /nfs/dbraw/zinc/69/93/75/370699375.db2.gz CWEXQHAVFQLZNF-QWHCGFSZSA-N 2 2 271.405 0.731 20 0 CCADLP C[NH2+]CCC[N@@H+]1CCc2nc(COC)ncc2C1 ZINC000631834563 370700427 /nfs/dbraw/zinc/70/04/27/370700427.db2.gz ABAWETJLMZRVJD-UHFFFAOYSA-N 2 2 250.346 0.591 20 0 CCADLP C[NH2+]CCC[N@H+]1CCc2nc(COC)ncc2C1 ZINC000631834563 370700430 /nfs/dbraw/zinc/70/04/30/370700430.db2.gz ABAWETJLMZRVJD-UHFFFAOYSA-N 2 2 250.346 0.591 20 0 CCADLP CCn1nc(C)c(C[N@H+](C)C[C@@](C)(O)C[NH2+]C)c1C ZINC000631834741 370700466 /nfs/dbraw/zinc/70/04/66/370700466.db2.gz DZLINAQAPIIHMC-AWEZNQCLSA-N 2 2 268.405 0.922 20 0 CCADLP CCn1nc(C)c(C[N@@H+](C)C[C@@](C)(O)C[NH2+]C)c1C ZINC000631834741 370700468 /nfs/dbraw/zinc/70/04/68/370700468.db2.gz DZLINAQAPIIHMC-AWEZNQCLSA-N 2 2 268.405 0.922 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000631840110 370705171 /nfs/dbraw/zinc/70/51/71/370705171.db2.gz PMZQFPLVKUDJDQ-HZSPNIEDSA-N 3 2 282.432 0.066 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000631840110 370705177 /nfs/dbraw/zinc/70/51/77/370705177.db2.gz PMZQFPLVKUDJDQ-HZSPNIEDSA-N 3 2 282.432 0.066 20 0 CCADLP CCN(CC)C(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631890948 370739902 /nfs/dbraw/zinc/73/99/02/370739902.db2.gz WOKVWYBKYHMDDI-QWHCGFSZSA-N 2 2 253.390 0.929 20 0 CCADLP CCN(CC)C(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631890948 370739906 /nfs/dbraw/zinc/73/99/06/370739906.db2.gz WOKVWYBKYHMDDI-QWHCGFSZSA-N 2 2 253.390 0.929 20 0 CCADLP C[C@H]1CN(S(=O)(=O)CC2([NH+](C)C)CC2)C[C@H](C)[NH2+]1 ZINC000631904463 370751452 /nfs/dbraw/zinc/75/14/52/370751452.db2.gz OKYBCGRHOGKZPZ-QWRGUYRKSA-N 2 2 275.418 0.093 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)Cn2cccn2)C[N@@H+]1C1CC1 ZINC000564850667 291307409 /nfs/dbraw/zinc/30/74/09/291307409.db2.gz XQQYZQZBIHOPOH-DYEKYZERSA-N 2 2 264.373 0.459 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)Cn2cccn2)C[N@H+]1C1CC1 ZINC000564850667 291307411 /nfs/dbraw/zinc/30/74/11/291307411.db2.gz XQQYZQZBIHOPOH-DYEKYZERSA-N 2 2 264.373 0.459 20 0 CCADLP C[NH+](C)C[C@]1(O)CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000614065116 364482534 /nfs/dbraw/zinc/48/25/34/364482534.db2.gz KWHIRKPLVTULIN-OAHLLOKOSA-N 2 2 294.399 0.602 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000614065115 364483087 /nfs/dbraw/zinc/48/30/87/364483087.db2.gz KWHIRKPLVTULIN-HNNXBMFYSA-N 2 2 294.399 0.602 20 0 CCADLP CCn1nccc1CC[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000621775308 366863527 /nfs/dbraw/zinc/86/35/27/366863527.db2.gz LKKAJJGCZRKFTC-WCQYABFASA-N 2 2 252.362 0.494 20 0 CCADLP CCn1nccc1CC[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000621775308 366863530 /nfs/dbraw/zinc/86/35/30/366863530.db2.gz LKKAJJGCZRKFTC-WCQYABFASA-N 2 2 252.362 0.494 20 0 CCADLP CC1(C)NC(=O)N(CC[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)C1=O ZINC000621780462 366865014 /nfs/dbraw/zinc/86/50/14/366865014.db2.gz RQTRDCLJBMBOOW-IINYFYTJSA-N 2 2 280.372 0.130 20 0 CCADLP CC1(C)NC(=O)N(CC[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)C1=O ZINC000621780462 366865019 /nfs/dbraw/zinc/86/50/19/366865019.db2.gz RQTRDCLJBMBOOW-IINYFYTJSA-N 2 2 280.372 0.130 20 0 CCADLP C[C@@H](CC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)n1cc[nH+]c1 ZINC000614514168 364643470 /nfs/dbraw/zinc/64/34/70/364643470.db2.gz JKJSHPCETXUXCN-UONOGXRCSA-N 2 2 291.399 0.340 20 0 CCADLP C[C@@H](CC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2)n1cc[nH+]c1 ZINC000614514168 364643479 /nfs/dbraw/zinc/64/34/79/364643479.db2.gz JKJSHPCETXUXCN-UONOGXRCSA-N 2 2 291.399 0.340 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000564941431 291322158 /nfs/dbraw/zinc/32/21/58/291322158.db2.gz WORCHHNYVCRDBF-LBPRGKRZSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000564941431 291322160 /nfs/dbraw/zinc/32/21/60/291322160.db2.gz WORCHHNYVCRDBF-LBPRGKRZSA-N 2 2 298.431 0.029 20 0 CCADLP Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000564944104 291322682 /nfs/dbraw/zinc/32/26/82/291322682.db2.gz JBTANQKXLWDJRL-GXFFZTMASA-N 2 2 293.415 0.242 20 0 CCADLP Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000564944104 291322685 /nfs/dbraw/zinc/32/26/85/291322685.db2.gz JBTANQKXLWDJRL-GXFFZTMASA-N 2 2 293.415 0.242 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000615607678 365020288 /nfs/dbraw/zinc/02/02/88/365020288.db2.gz ZRAIYBWJJWJZCA-OAHLLOKOSA-N 2 2 276.384 0.907 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000615607678 365020293 /nfs/dbraw/zinc/02/02/93/365020293.db2.gz ZRAIYBWJJWJZCA-OAHLLOKOSA-N 2 2 276.384 0.907 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)N1CC[NH+](C)CC1)c1ccco1 ZINC000275481876 193054519 /nfs/dbraw/zinc/05/45/19/193054519.db2.gz QRQALILBWWCQFE-LBPRGKRZSA-N 2 2 280.372 0.839 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)c[nH+]1 ZINC000275524290 193067010 /nfs/dbraw/zinc/06/70/10/193067010.db2.gz KUDSZLJPLYUKEK-WDEREUQCSA-N 2 2 266.320 0.464 20 0 CCADLP CN1C[C@@H]([N@H+](C)CCCn2cc[nH+]c2)CCC1=O ZINC000565171595 291351318 /nfs/dbraw/zinc/35/13/18/291351318.db2.gz LHQZPTONZKVBJX-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP CN1C[C@@H]([N@@H+](C)CCCn2cc[nH+]c2)CCC1=O ZINC000565171595 291351319 /nfs/dbraw/zinc/35/13/19/291351319.db2.gz LHQZPTONZKVBJX-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP CC(C)(C(=O)N1CC(n2cc[nH+]c2)C1)c1c[nH+]c[nH]1 ZINC000621869307 366904574 /nfs/dbraw/zinc/90/45/74/366904574.db2.gz XPQNKTGXPCOCJI-UHFFFAOYSA-N 2 2 259.313 0.967 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000565253176 291367593 /nfs/dbraw/zinc/36/75/93/291367593.db2.gz GVORNEAFKKXXFN-RYUDHWBXSA-N 2 2 263.345 0.419 20 0 CCADLP COc1c(N)[nH+]cnc1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000656148801 412749672 /nfs/dbraw/zinc/74/96/72/412749672.db2.gz GTLCUPIJILNNDZ-LLVKDONJSA-N 2 2 293.371 0.733 20 0 CCADLP COc1c(N)nc[nH+]c1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000656148801 412749677 /nfs/dbraw/zinc/74/96/77/412749677.db2.gz GTLCUPIJILNNDZ-LLVKDONJSA-N 2 2 293.371 0.733 20 0 CCADLP O=C([C@H]1CC[NH2+]1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000335559506 212266339 /nfs/dbraw/zinc/26/63/39/212266339.db2.gz BXKSSYKEIJQJBW-CQSZACIVSA-N 2 2 277.343 0.832 20 0 CCADLP CC[C@H](C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1)[NH+](C)C ZINC000622345353 367123292 /nfs/dbraw/zinc/12/32/92/367123292.db2.gz YDTSPFHHRIFROL-SNVBAGLBSA-N 2 2 297.403 0.823 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000622353677 367127748 /nfs/dbraw/zinc/12/77/48/367127748.db2.gz YMSNCDXTKWPALC-UHFFFAOYSA-N 2 2 273.340 0.807 20 0 CCADLP CN(C)[C@H](C(=O)N(C)CC[NH+](C)C)c1c[nH+]cn1C ZINC000622409040 367151799 /nfs/dbraw/zinc/15/17/99/367151799.db2.gz TZHVMZGUUGNMSZ-LBPRGKRZSA-N 2 2 267.377 0.043 20 0 CCADLP C[C@H](C[NH3+])CNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000566206611 291376017 /nfs/dbraw/zinc/37/60/17/291376017.db2.gz UTEKOSKDISJSGE-SECBINFHSA-N 2 2 263.332 0.675 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC000622676649 367284063 /nfs/dbraw/zinc/28/40/63/367284063.db2.gz GDBKQMULNHWPJR-LBPRGKRZSA-N 2 2 264.373 0.904 20 0 CCADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC000622676649 367284070 /nfs/dbraw/zinc/28/40/70/367284070.db2.gz GDBKQMULNHWPJR-LBPRGKRZSA-N 2 2 264.373 0.904 20 0 CCADLP C[C@@]1(F)C[NH2+]CCN(C(=O)c2c[nH+]ccc2N)C1 ZINC000566250937 291385081 /nfs/dbraw/zinc/38/50/81/291385081.db2.gz JKWBZYNGFBDUDP-GFCCVEGCSA-N 2 2 252.293 0.268 20 0 CCADLP CC[NH2+]CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623175906 367462860 /nfs/dbraw/zinc/46/28/60/367462860.db2.gz RQCMWPYGVCPRGB-NSHDSACASA-N 2 2 250.346 0.561 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1cccc2n[nH]cc21 ZINC000623414174 367558504 /nfs/dbraw/zinc/55/85/04/367558504.db2.gz WFBXDGKSPWVLRX-CYBMUJFWSA-N 2 2 273.384 0.898 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1cccc2n[nH]cc21 ZINC000623414174 367558512 /nfs/dbraw/zinc/55/85/12/367558512.db2.gz WFBXDGKSPWVLRX-CYBMUJFWSA-N 2 2 273.384 0.898 20 0 CCADLP C[C@H]1CCC[N@H+](CCNC(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000623461225 367567301 /nfs/dbraw/zinc/56/73/01/367567301.db2.gz CXCYRULFKXNFFD-UONOGXRCSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@H]1CCC[N@@H+](CCNC(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000623461225 367567305 /nfs/dbraw/zinc/56/73/05/367567305.db2.gz CXCYRULFKXNFFD-UONOGXRCSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@H]1CCC[NH+](CCNC(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000623461225 367567311 /nfs/dbraw/zinc/56/73/11/367567311.db2.gz CXCYRULFKXNFFD-UONOGXRCSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@H]1CCC[NH+](CCNC(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000623461225 367567315 /nfs/dbraw/zinc/56/73/15/367567315.db2.gz CXCYRULFKXNFFD-UONOGXRCSA-N 2 2 298.431 0.348 20 0 CCADLP Cc1nc(N2CCc3[nH+]ccc(N)c3C2)nc(N(C)C)[nH+]1 ZINC000623284126 367512696 /nfs/dbraw/zinc/51/26/96/367512696.db2.gz XQBOVYNJTDOAMX-UHFFFAOYSA-N 2 2 285.355 0.786 20 0 CCADLP Cc1nc(N(C)C)nc(N2CCc3[nH+]ccc(N)c3C2)[nH+]1 ZINC000623284126 367512702 /nfs/dbraw/zinc/51/27/02/367512702.db2.gz XQBOVYNJTDOAMX-UHFFFAOYSA-N 2 2 285.355 0.786 20 0 CCADLP CN1CCOC[C@H]1C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000623712131 367628876 /nfs/dbraw/zinc/62/88/76/367628876.db2.gz YRBSFPKPLHYFKN-CYBMUJFWSA-N 2 2 260.341 0.755 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000623633471 367611603 /nfs/dbraw/zinc/61/16/03/367611603.db2.gz RFGGBPXAOHZLRW-KBPBESRZSA-N 2 2 296.415 0.101 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000623633471 367611613 /nfs/dbraw/zinc/61/16/13/367611613.db2.gz RFGGBPXAOHZLRW-KBPBESRZSA-N 2 2 296.415 0.101 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000623633471 367611621 /nfs/dbraw/zinc/61/16/21/367611621.db2.gz RFGGBPXAOHZLRW-KBPBESRZSA-N 2 2 296.415 0.101 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000623633471 367611626 /nfs/dbraw/zinc/61/16/26/367611626.db2.gz RFGGBPXAOHZLRW-KBPBESRZSA-N 2 2 296.415 0.101 20 0 CCADLP COc1c(N)[nH+]cnc1NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000656179015 412757472 /nfs/dbraw/zinc/75/74/72/412757472.db2.gz ZDKSYVDOKQBXIZ-LLVKDONJSA-N 2 2 295.387 0.980 20 0 CCADLP COc1c(N)[nH+]cnc1NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000656179015 412757478 /nfs/dbraw/zinc/75/74/78/412757478.db2.gz ZDKSYVDOKQBXIZ-LLVKDONJSA-N 2 2 295.387 0.980 20 0 CCADLP COc1c(N)nc[nH+]c1NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000656179015 412757483 /nfs/dbraw/zinc/75/74/83/412757483.db2.gz ZDKSYVDOKQBXIZ-LLVKDONJSA-N 2 2 295.387 0.980 20 0 CCADLP COc1c(N)nc[nH+]c1NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000656179015 412757487 /nfs/dbraw/zinc/75/74/87/412757487.db2.gz ZDKSYVDOKQBXIZ-LLVKDONJSA-N 2 2 295.387 0.980 20 0 CCADLP CC(C)[C@H]1C[C@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)CCO1 ZINC000623837574 367675597 /nfs/dbraw/zinc/67/55/97/367675597.db2.gz KTEVUOQRGKFXLR-HZSPNIEDSA-N 2 2 256.390 0.846 20 0 CCADLP CC(C)[C@H]1C[C@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)CCO1 ZINC000623837574 367675600 /nfs/dbraw/zinc/67/56/00/367675600.db2.gz KTEVUOQRGKFXLR-HZSPNIEDSA-N 2 2 256.390 0.846 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H]1COCCN1C ZINC000624174076 367774931 /nfs/dbraw/zinc/77/49/31/367774931.db2.gz QPMNJQYTWJLTPQ-MRVWCRGKSA-N 2 2 253.390 0.389 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H]1COCCN1C ZINC000624174076 367774935 /nfs/dbraw/zinc/77/49/35/367774935.db2.gz QPMNJQYTWJLTPQ-MRVWCRGKSA-N 2 2 253.390 0.389 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000624188094 367782200 /nfs/dbraw/zinc/78/22/00/367782200.db2.gz XSBDIDFFEHRIQD-LBPRGKRZSA-N 2 2 265.361 0.356 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)NC[C@@H]2CCC[N@H+]2C)c1 ZINC000624188094 367782207 /nfs/dbraw/zinc/78/22/07/367782207.db2.gz XSBDIDFFEHRIQD-LBPRGKRZSA-N 2 2 265.361 0.356 20 0 CCADLP O[C@@H]1COCC[C@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000624236422 367801201 /nfs/dbraw/zinc/80/12/01/367801201.db2.gz CBUZJAOGVNKVAB-HZPDHXFCSA-N 2 2 291.395 0.785 20 0 CCADLP C[C@H](CCn1cccn1)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624336651 367838676 /nfs/dbraw/zinc/83/86/76/367838676.db2.gz WDNLDXAOVPPSMG-OLZOCXBDSA-N 2 2 252.362 0.318 20 0 CCADLP C[C@H](CCn1cccn1)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624336651 367838680 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CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000624731166 367971804 /nfs/dbraw/zinc/97/18/04/367971804.db2.gz FVIBPFRINIYOKE-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP C[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000624940213 368023034 /nfs/dbraw/zinc/02/30/34/368023034.db2.gz YMPRXVIXTQVFAT-KBPBESRZSA-N 2 2 296.415 0.197 20 0 CCADLP C[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000624940213 368023040 /nfs/dbraw/zinc/02/30/40/368023040.db2.gz YMPRXVIXTQVFAT-KBPBESRZSA-N 2 2 296.415 0.197 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000625333224 368150850 /nfs/dbraw/zinc/15/08/50/368150850.db2.gz FXUBMOISALVWQW-UONOGXRCSA-N 2 2 292.383 0.249 20 0 CCADLP C[NH2+]CCOCCN(C)C(=O)Nc1cc[nH+]c(C)c1 ZINC000625873528 368352949 /nfs/dbraw/zinc/35/29/49/368352949.db2.gz DJFVAIYTCMTJHU-UHFFFAOYSA-N 2 2 266.345 0.512 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000626015175 368396435 /nfs/dbraw/zinc/39/64/35/368396435.db2.gz LRMAZZNPLPAZBH-SOUVJXGZSA-N 2 2 286.416 0.020 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000626015175 368396444 /nfs/dbraw/zinc/39/64/44/368396444.db2.gz LRMAZZNPLPAZBH-SOUVJXGZSA-N 2 2 286.416 0.020 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000626015175 368396451 /nfs/dbraw/zinc/39/64/51/368396451.db2.gz LRMAZZNPLPAZBH-SOUVJXGZSA-N 2 2 286.416 0.020 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000626015175 368396457 /nfs/dbraw/zinc/39/64/57/368396457.db2.gz LRMAZZNPLPAZBH-SOUVJXGZSA-N 2 2 286.416 0.020 20 0 CCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335497330 212177018 /nfs/dbraw/zinc/17/70/18/212177018.db2.gz PSGZYGWQVQUGOI-GXTWGEPZSA-N 2 2 276.384 0.998 20 0 CCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335497330 212177021 /nfs/dbraw/zinc/17/70/21/212177021.db2.gz PSGZYGWQVQUGOI-GXTWGEPZSA-N 2 2 276.384 0.998 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@H]2C[C@@H](O)C2)CC1 ZINC000626043013 368407937 /nfs/dbraw/zinc/40/79/37/368407937.db2.gz CINYKQZNYUQQOR-MCIONIFRSA-N 2 2 283.416 0.242 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@H]2C[C@@H](O)C2)CC1 ZINC000626043013 368407945 /nfs/dbraw/zinc/40/79/45/368407945.db2.gz CINYKQZNYUQQOR-MCIONIFRSA-N 2 2 283.416 0.242 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000626206540 368487295 /nfs/dbraw/zinc/48/72/95/368487295.db2.gz RKIDVJOBWMEJON-RYUDHWBXSA-N 2 2 266.345 0.027 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000626206540 368487300 /nfs/dbraw/zinc/48/73/00/368487300.db2.gz RKIDVJOBWMEJON-RYUDHWBXSA-N 2 2 266.345 0.027 20 0 CCADLP CCN(CC[NH3+])C(=O)NCCCCn1cc[nH+]c1 ZINC000626945665 368692940 /nfs/dbraw/zinc/69/29/40/368692940.db2.gz LDBSAIDOTGBMAA-UHFFFAOYSA-N 2 2 253.350 0.654 20 0 CCADLP C[C@H]1CC[C@@H](NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)C[NH2+]1 ZINC000626961572 368698742 /nfs/dbraw/zinc/69/87/42/368698742.db2.gz ALGYIZNOJLJUQI-QWHCGFSZSA-N 2 2 298.431 0.537 20 0 CCADLP C[C@H]1CC[C@@H](NC(=O)NCC[N@H+]2CCOC(C)(C)C2)C[NH2+]1 ZINC000626961572 368698748 /nfs/dbraw/zinc/69/87/48/368698748.db2.gz ALGYIZNOJLJUQI-QWHCGFSZSA-N 2 2 298.431 0.537 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)NCC[N@@H+]2CCOCC2(C)C)C[NH2+]1 ZINC000626969552 368702848 /nfs/dbraw/zinc/70/28/48/368702848.db2.gz YMJMLBJELZGKAA-OLZOCXBDSA-N 2 2 298.431 0.537 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)NCC[N@H+]2CCOCC2(C)C)C[NH2+]1 ZINC000626969552 368702853 /nfs/dbraw/zinc/70/28/53/368702853.db2.gz YMJMLBJELZGKAA-OLZOCXBDSA-N 2 2 298.431 0.537 20 0 CCADLP CCN(CC[NH3+])C(=O)NCc1ccc[nH+]c1N(C)C ZINC000626935088 368685661 /nfs/dbraw/zinc/68/56/61/368685661.db2.gz XBBJLNALTBWFFX-UHFFFAOYSA-N 2 2 265.361 0.638 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000626934930 368685960 /nfs/dbraw/zinc/68/59/60/368685960.db2.gz RJZSYGQMDZJRGW-LLVKDONJSA-N 2 2 263.345 0.309 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000626934850 368686363 /nfs/dbraw/zinc/68/63/63/368686363.db2.gz PCKOCLSQGIMVDB-FRRDWIJNSA-N 2 2 284.404 0.147 20 0 CCADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)CCC[NH+](C)C ZINC000632169778 370903294 /nfs/dbraw/zinc/90/32/94/370903294.db2.gz FMAXLQVMWCJBMP-RYUDHWBXSA-N 2 2 277.434 0.292 20 0 CCADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)CCC[NH+](C)C ZINC000632169778 370903296 /nfs/dbraw/zinc/90/32/96/370903296.db2.gz FMAXLQVMWCJBMP-RYUDHWBXSA-N 2 2 277.434 0.292 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)N(C)CCOCC[NH2+]C ZINC000627052105 368757872 /nfs/dbraw/zinc/75/78/72/368757872.db2.gz KHVHUPSPSQWCQM-GFCCVEGCSA-N 2 2 297.403 0.841 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N(C)CCOCC[NH3+] ZINC000627051979 368757992 /nfs/dbraw/zinc/75/79/92/368757992.db2.gz IOGDHYGVEPSMNT-NSHDSACASA-N 2 2 283.376 0.581 20 0 CCADLP C[NH2+]CCOCCNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000627118172 368810901 /nfs/dbraw/zinc/81/09/01/368810901.db2.gz SHNHJQOVFGRNQC-SNVBAGLBSA-N 2 2 269.349 0.016 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000627158913 368833421 /nfs/dbraw/zinc/83/34/21/368833421.db2.gz IDPYNMLRXNQTBG-RFQIPJPRSA-N 2 2 296.415 0.289 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000627158913 368833428 /nfs/dbraw/zinc/83/34/28/368833428.db2.gz IDPYNMLRXNQTBG-RFQIPJPRSA-N 2 2 296.415 0.289 20 0 CCADLP C[NH2+]CCOCCNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000627178639 368850730 /nfs/dbraw/zinc/85/07/30/368850730.db2.gz VERLVGFJLOKUCX-LBPRGKRZSA-N 2 2 295.387 0.535 20 0 CCADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627183490 368851667 /nfs/dbraw/zinc/85/16/67/368851667.db2.gz LCQIBYVFXJHGCP-QWHCGFSZSA-N 2 2 286.420 0.332 20 0 CCADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000627183490 368851672 /nfs/dbraw/zinc/85/16/72/368851672.db2.gz LCQIBYVFXJHGCP-QWHCGFSZSA-N 2 2 286.420 0.332 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627182610 368851833 /nfs/dbraw/zinc/85/18/33/368851833.db2.gz BDRXQUBCGKYPCB-RWMBFGLXSA-N 2 2 284.404 0.228 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000627182610 368851838 /nfs/dbraw/zinc/85/18/38/368851838.db2.gz BDRXQUBCGKYPCB-RWMBFGLXSA-N 2 2 284.404 0.228 20 0 CCADLP CC(C)[C@H](C(=O)N1CCc2[nH]c[nH+]c2C1)[NH+](C)C ZINC000627366974 368968546 /nfs/dbraw/zinc/96/85/46/368968546.db2.gz HEGOKILFIQXLOF-GFCCVEGCSA-N 2 2 250.346 0.881 20 0 CCADLP CC(C)[C@H](C(=O)N1CCc2[nH+]c[nH]c2C1)[NH+](C)C ZINC000627366974 368968548 /nfs/dbraw/zinc/96/85/48/368968548.db2.gz HEGOKILFIQXLOF-GFCCVEGCSA-N 2 2 250.346 0.881 20 0 CCADLP CC(=O)[C@@](C)(O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000330835302 203293868 /nfs/dbraw/zinc/29/38/68/203293868.db2.gz LJAUQWGSLZSPEV-ZDUSSCGKSA-N 2 2 251.330 0.860 20 0 CCADLP C[N@@H+]1CCCC[C@@H](CNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000628747067 369374399 /nfs/dbraw/zinc/37/43/99/369374399.db2.gz KZKAEJSHFIYVEY-AWEZNQCLSA-N 2 2 297.443 0.945 20 0 CCADLP C[N@H+]1CCCC[C@@H](CNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000628747067 369374402 /nfs/dbraw/zinc/37/44/02/369374402.db2.gz KZKAEJSHFIYVEY-AWEZNQCLSA-N 2 2 297.443 0.945 20 0 CCADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@H]1COCC[N@H+]1C)CC2 ZINC000628923674 369471153 /nfs/dbraw/zinc/47/11/53/369471153.db2.gz RWHPSERMURQFRZ-OCCSQVGLSA-N 2 2 292.383 0.201 20 0 CCADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@H]1COCC[N@@H+]1C)CC2 ZINC000628923674 369471157 /nfs/dbraw/zinc/47/11/57/369471157.db2.gz RWHPSERMURQFRZ-OCCSQVGLSA-N 2 2 292.383 0.201 20 0 CCADLP CCn1cc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cn1 ZINC000330884666 203350936 /nfs/dbraw/zinc/35/09/36/203350936.db2.gz PRMHTLFUDMYLTP-YPMHNXCESA-N 2 2 252.362 0.620 20 0 CCADLP CCn1cc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cn1 ZINC000330884666 203350938 /nfs/dbraw/zinc/35/09/38/203350938.db2.gz PRMHTLFUDMYLTP-YPMHNXCESA-N 2 2 252.362 0.620 20 0 CCADLP CC[N@H+](C)C[C@H]1CCN(c2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000276358114 193298396 /nfs/dbraw/zinc/29/83/96/193298396.db2.gz YWSVPZOMYSLBTK-SNVBAGLBSA-N 2 2 289.387 0.724 20 0 CCADLP CC[N@@H+](C)C[C@H]1CCN(c2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000276358114 193298398 /nfs/dbraw/zinc/29/83/98/193298398.db2.gz YWSVPZOMYSLBTK-SNVBAGLBSA-N 2 2 289.387 0.724 20 0 CCADLP [NH3+]C1(C[NH2+]Cc2cnc(N3CCCC3)nc2)CCOCC1 ZINC000629389111 369650657 /nfs/dbraw/zinc/65/06/57/369650657.db2.gz UHDYJEAYIVDKBE-UHFFFAOYSA-N 2 2 291.399 0.674 20 0 CCADLP CN(C)C(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629566583 369712333 /nfs/dbraw/zinc/71/23/33/369712333.db2.gz ZSOOIEMSMYVJCL-BDAKNGLRSA-N 2 2 267.295 0.534 20 0 CCADLP CN(C)C(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629566583 369712338 /nfs/dbraw/zinc/71/23/38/369712338.db2.gz ZSOOIEMSMYVJCL-BDAKNGLRSA-N 2 2 267.295 0.534 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000629512742 369687377 /nfs/dbraw/zinc/68/73/77/369687377.db2.gz DYBGKBARWPCKLK-TUAOUCFPSA-N 3 2 256.394 0.042 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000629512742 369687380 /nfs/dbraw/zinc/68/73/80/369687380.db2.gz DYBGKBARWPCKLK-TUAOUCFPSA-N 3 2 256.394 0.042 20 0 CCADLP Cc1noc([C@H]2OCC[C@H]2[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)n1 ZINC000629544563 369698860 /nfs/dbraw/zinc/69/88/60/369698860.db2.gz AJWSNBIOHMHFGE-KLHWPWHYSA-N 2 2 266.345 0.938 20 0 CCADLP O=c1[nH]cccc1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000629548824 369700499 /nfs/dbraw/zinc/70/04/99/369700499.db2.gz ZIDLJIPVINBRKT-STQMWFEESA-N 2 2 263.341 0.644 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000276546287 193375915 /nfs/dbraw/zinc/37/59/15/193375915.db2.gz GXMCVDDEEWPPPF-AORQRIRUSA-N 2 2 290.367 0.604 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000629589936 369730937 /nfs/dbraw/zinc/73/09/37/369730937.db2.gz FPOYUAAUZQHQTD-GXFFZTMASA-N 2 2 273.336 0.623 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592189 369731785 /nfs/dbraw/zinc/73/17/85/369731785.db2.gz CCVKTYJQPAOYAB-YUELXQCFSA-N 2 2 283.416 0.459 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592189 369731788 /nfs/dbraw/zinc/73/17/88/369731788.db2.gz CCVKTYJQPAOYAB-YUELXQCFSA-N 2 2 283.416 0.459 20 0 CCADLP C[N@H+](CC(=O)NCCCn1cc[nH+]c1)C1CCC1 ZINC000629943734 369848336 /nfs/dbraw/zinc/84/83/36/369848336.db2.gz ZKANGZORZGMAHY-UHFFFAOYSA-N 2 2 250.346 0.874 20 0 CCADLP C[N@@H+](CC(=O)NCCCn1cc[nH+]c1)C1CCC1 ZINC000629943734 369848340 /nfs/dbraw/zinc/84/83/40/369848340.db2.gz ZKANGZORZGMAHY-UHFFFAOYSA-N 2 2 250.346 0.874 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCNc1cc[nH+]cc1 ZINC000629950362 369851494 /nfs/dbraw/zinc/85/14/94/369851494.db2.gz LTWJSMQCSCJSHM-NSHDSACASA-N 2 2 273.340 0.634 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCNc1cc[nH+]cc1 ZINC000629950362 369851498 /nfs/dbraw/zinc/85/14/98/369851498.db2.gz LTWJSMQCSCJSHM-NSHDSACASA-N 2 2 273.340 0.634 20 0 CCADLP C[N@H+](CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C1CCC1 ZINC000629964557 369857407 /nfs/dbraw/zinc/85/74/07/369857407.db2.gz DCMFIQHXIMWTOU-HNNXBMFYSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@@H+](CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C1CCC1 ZINC000629964557 369857413 /nfs/dbraw/zinc/85/74/13/369857413.db2.gz DCMFIQHXIMWTOU-HNNXBMFYSA-N 2 2 295.427 0.794 20 0 CCADLP CN(C(=O)C[NH+](C)C1CCC1)[C@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000629995587 369880572 /nfs/dbraw/zinc/88/05/72/369880572.db2.gz BTTNTCJGBZZVAI-KBPBESRZSA-N 2 2 281.400 0.402 20 0 CCADLP CN(C(=O)C[N@H+](C)C1CCC1)[C@H]1CC[NH+]2CCO[C@H]1C2 ZINC000629995587 369880579 /nfs/dbraw/zinc/88/05/79/369880579.db2.gz BTTNTCJGBZZVAI-KBPBESRZSA-N 2 2 281.400 0.402 20 0 CCADLP CN(C(=O)C[N@@H+](C)C1CCC1)[C@H]1CC[NH+]2CCO[C@H]1C2 ZINC000629995587 369880581 /nfs/dbraw/zinc/88/05/81/369880581.db2.gz BTTNTCJGBZZVAI-KBPBESRZSA-N 2 2 281.400 0.402 20 0 CCADLP C[NH2+]C1(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCC1 ZINC000630001971 369884523 /nfs/dbraw/zinc/88/45/23/369884523.db2.gz NOXZPPYRHGGMEB-LLVKDONJSA-N 2 2 262.357 0.704 20 0 CCADLP CO[C@H]1C[N@H+](CCC(=O)NC2CCCC2)[C@](C)(C[NH3+])C1 ZINC000630362553 370064578 /nfs/dbraw/zinc/06/45/78/370064578.db2.gz XGOWGEYNPMCYQL-HIFRSBDPSA-N 2 2 283.416 0.873 20 0 CCADLP CO[C@H]1C[N@@H+](CCC(=O)NC2CCCC2)[C@](C)(C[NH3+])C1 ZINC000630362553 370064579 /nfs/dbraw/zinc/06/45/79/370064579.db2.gz XGOWGEYNPMCYQL-HIFRSBDPSA-N 2 2 283.416 0.873 20 0 CCADLP CO[C@@H]1C[N@H+]([C@@H]2CCCN(C(C)C)C2=O)[C@@](C)(C[NH3+])C1 ZINC000630366890 370067679 /nfs/dbraw/zinc/06/76/79/370067679.db2.gz XBROTOBXOVDRAZ-GZBFAFLISA-N 2 2 283.416 0.824 20 0 CCADLP CO[C@@H]1C[N@@H+]([C@@H]2CCCN(C(C)C)C2=O)[C@@](C)(C[NH3+])C1 ZINC000630366890 370067680 /nfs/dbraw/zinc/06/76/80/370067680.db2.gz XBROTOBXOVDRAZ-GZBFAFLISA-N 2 2 283.416 0.824 20 0 CCADLP c1nc(NC[C@H]2COCC[NH2+]2)cc(N2CCCCC2)[nH+]1 ZINC000630532558 370150909 /nfs/dbraw/zinc/15/09/09/370150909.db2.gz JQJTVKBUZFYSTC-LBPRGKRZSA-N 2 2 277.372 0.867 20 0 CCADLP C[N@H+](CCO)Cc1cn(-c2cccc(C[NH3+])c2)nn1 ZINC000630607793 370205707 /nfs/dbraw/zinc/20/57/07/370205707.db2.gz OTKIABXVRFSOKX-UHFFFAOYSA-N 2 2 261.329 0.150 20 0 CCADLP C[N@@H+](CCO)Cc1cn(-c2cccc(C[NH3+])c2)nn1 ZINC000630607793 370205719 /nfs/dbraw/zinc/20/57/19/370205719.db2.gz OTKIABXVRFSOKX-UHFFFAOYSA-N 2 2 261.329 0.150 20 0 CCADLP CC1(C)C[NH2+]CC[C@@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000631001009 370356312 /nfs/dbraw/zinc/35/63/12/370356312.db2.gz KYJADVWEDBTWRA-CYBMUJFWSA-N 2 2 298.431 0.396 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631002218 370356418 /nfs/dbraw/zinc/35/64/18/370356418.db2.gz WIFQEZVADZUKEA-SDDRHHMPSA-N 2 2 263.345 0.417 20 0 CCADLP CC(C)n1ncnc1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000631038566 370365479 /nfs/dbraw/zinc/36/54/79/370365479.db2.gz CACKKTRBVJDGEG-UHFFFAOYSA-N 2 2 294.447 0.975 20 0 CCADLP Cc1nc(NC[C@@H](Cc2ccccc2)[NH+](C)C)nc(N)[nH+]1 ZINC000631040706 370366685 /nfs/dbraw/zinc/36/66/85/370366685.db2.gz BRBFUSUVBYDYHI-CYBMUJFWSA-N 2 2 286.383 0.599 20 0 CCADLP Cc1nc(NC[C@@H](c2cccc(F)c2)[NH+](C)C)nc(N)[nH+]1 ZINC000631040562 370366998 /nfs/dbraw/zinc/36/69/98/370366998.db2.gz ACWWYUDSYLCARU-LBPRGKRZSA-N 2 2 290.346 0.868 20 0 CCADLP CC(=O)Nc1cccc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000631068882 370374164 /nfs/dbraw/zinc/37/41/64/370374164.db2.gz IOZQFQWGXROTNZ-INIZCTEOSA-N 2 2 290.411 0.980 20 0 CCADLP CC(=O)Nc1cccc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)c1 ZINC000631068882 370374168 /nfs/dbraw/zinc/37/41/68/370374168.db2.gz IOZQFQWGXROTNZ-INIZCTEOSA-N 2 2 290.411 0.980 20 0 CCADLP Cc1nc(NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nc(N)[nH+]1 ZINC000631161062 370408466 /nfs/dbraw/zinc/40/84/66/370408466.db2.gz JNMXPSOFIBSZRD-PHIMTYICSA-N 2 2 294.403 0.316 20 0 CCADLP Cc1nc(NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nc(N)[nH+]1 ZINC000631161062 370408467 /nfs/dbraw/zinc/40/84/67/370408467.db2.gz JNMXPSOFIBSZRD-PHIMTYICSA-N 2 2 294.403 0.316 20 0 CCADLP Cc1nc(N)nc(NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC000631161062 370408469 /nfs/dbraw/zinc/40/84/69/370408469.db2.gz JNMXPSOFIBSZRD-PHIMTYICSA-N 2 2 294.403 0.316 20 0 CCADLP Cc1nc(N)nc(NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC000631161062 370408471 /nfs/dbraw/zinc/40/84/71/370408471.db2.gz JNMXPSOFIBSZRD-PHIMTYICSA-N 2 2 294.403 0.316 20 0 CCADLP Cc1nc(NCC2CC[NH+](C3CC3)CC2)nc(N)[nH+]1 ZINC000631249416 370437424 /nfs/dbraw/zinc/43/74/24/370437424.db2.gz DKPLDIBWCMAFGE-UHFFFAOYSA-N 2 2 262.361 0.301 20 0 CCADLP Cc1nc(N)nc(NCC2CC[NH+](C3CC3)CC2)[nH+]1 ZINC000631249416 370437427 /nfs/dbraw/zinc/43/74/27/370437427.db2.gz DKPLDIBWCMAFGE-UHFFFAOYSA-N 2 2 262.361 0.301 20 0 CCADLP Cc1nc(N2CCC[C@](O)(C[NH+](C)C)C2)nc(N(C)C)[nH+]1 ZINC000631344436 370484152 /nfs/dbraw/zinc/48/41/52/370484152.db2.gz PUOOGOGITLYENC-AWEZNQCLSA-N 2 2 294.403 0.139 20 0 CCADLP Cc1nc(N(C)C)nc(N2CCC[C@](O)(C[NH+](C)C)C2)[nH+]1 ZINC000631344436 370484159 /nfs/dbraw/zinc/48/41/59/370484159.db2.gz PUOOGOGITLYENC-AWEZNQCLSA-N 2 2 294.403 0.139 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@H]2CCSC2)C[C@@H](C)O1 ZINC000567685314 291502166 /nfs/dbraw/zinc/50/21/66/291502166.db2.gz ZQNVMBBJCWKJBG-FVCCEPFGSA-N 2 2 274.430 0.552 20 0 CCADLP Cc1nc(NC[C@H]2CC[N@@H+]2C(C)(C)C)nc(N)[nH+]1 ZINC000631349723 370488625 /nfs/dbraw/zinc/48/86/25/370488625.db2.gz JWXABKUURHVWHG-SECBINFHSA-N 2 2 250.350 0.299 20 0 CCADLP Cc1nc(NC[C@H]2CC[N@H+]2C(C)(C)C)nc(N)[nH+]1 ZINC000631349723 370488630 /nfs/dbraw/zinc/48/86/30/370488630.db2.gz JWXABKUURHVWHG-SECBINFHSA-N 2 2 250.350 0.299 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000631582180 370598514 /nfs/dbraw/zinc/59/85/14/370598514.db2.gz YKQVEYXIFNXJQA-QPSCCSFWSA-N 2 2 279.428 0.779 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000631582180 370598517 /nfs/dbraw/zinc/59/85/17/370598517.db2.gz YKQVEYXIFNXJQA-QPSCCSFWSA-N 2 2 279.428 0.779 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000632955143 371336839 /nfs/dbraw/zinc/33/68/39/371336839.db2.gz MQEFFILFHGABKP-LURJTMIESA-N 2 2 265.239 0.441 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000632953345 371337167 /nfs/dbraw/zinc/33/71/67/371337167.db2.gz UPBHGQYDPHYHEF-SSDOTTSWSA-N 2 2 279.266 0.831 20 0 CCADLP C[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)c1[nH]cc[nH+]1 ZINC000633171006 371422800 /nfs/dbraw/zinc/42/28/00/371422800.db2.gz PTWMMQVPWAKQKR-SNVBAGLBSA-N 2 2 276.344 0.659 20 0 CCADLP CC(C)[C@@H]1C[C@H]1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000633659407 371662754 /nfs/dbraw/zinc/66/27/54/371662754.db2.gz YDMLQCCEYDKVEZ-XQQFMLRXSA-N 2 2 268.405 0.563 20 0 CCADLP CC(C)[C@@H]1C[C@H]1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000633659407 371662758 /nfs/dbraw/zinc/66/27/58/371662758.db2.gz YDMLQCCEYDKVEZ-XQQFMLRXSA-N 2 2 268.405 0.563 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2C[C@H]2C2CC2)[C@@H](C[NH3+])C1 ZINC000633723388 371698943 /nfs/dbraw/zinc/69/89/43/371698943.db2.gz ANOYTPZZTADNLC-AVGNSLFASA-N 2 2 266.389 0.317 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@@H]2C[C@H]2C2CC2)[C@@H](C[NH3+])C1 ZINC000633723388 371698944 /nfs/dbraw/zinc/69/89/44/371698944.db2.gz ANOYTPZZTADNLC-AVGNSLFASA-N 2 2 266.389 0.317 20 0 CCADLP C[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000634142421 371905599 /nfs/dbraw/zinc/90/55/99/371905599.db2.gz DDDXWCQSQPSCOD-MNOVXSKESA-N 2 2 277.372 0.660 20 0 CCADLP C[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000634142421 371905609 /nfs/dbraw/zinc/90/56/09/371905609.db2.gz DDDXWCQSQPSCOD-MNOVXSKESA-N 2 2 277.372 0.660 20 0 CCADLP C[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000634142421 371905617 /nfs/dbraw/zinc/90/56/17/371905617.db2.gz DDDXWCQSQPSCOD-MNOVXSKESA-N 2 2 277.372 0.660 20 0 CCADLP C[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000634142421 371905624 /nfs/dbraw/zinc/90/56/24/371905624.db2.gz DDDXWCQSQPSCOD-MNOVXSKESA-N 2 2 277.372 0.660 20 0 CCADLP C[C@H]([NH2+][C@H]1C[C@H]2CCCCN2C1=O)[C@@H]1CCC[NH2+]1 ZINC000423159176 299429347 /nfs/dbraw/zinc/42/93/47/299429347.db2.gz FLQPEUBDYKLUHJ-RNJOBUHISA-N 2 2 251.374 0.870 20 0 CCADLP C[NH2+][C@H](C)Cc1noc([C@]2(COC)CCCC[NH2+]2)n1 ZINC000634557156 372081465 /nfs/dbraw/zinc/08/14/65/372081465.db2.gz OJEBBLFZDGDUBL-ZWNOBZJWSA-N 2 2 268.361 0.835 20 0 CCADLP C[C@](O)(C[C@@H](O)C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C1CC1 ZINC000634705112 372151266 /nfs/dbraw/zinc/15/12/66/372151266.db2.gz VJSNMOOMGAZECT-OAGGEKHMSA-N 2 2 282.428 0.972 20 0 CCADLP C[C@](O)(C[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C1CC1 ZINC000634705112 372151271 /nfs/dbraw/zinc/15/12/71/372151271.db2.gz VJSNMOOMGAZECT-OAGGEKHMSA-N 2 2 282.428 0.972 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]C[C@@H](O)CC2(O)CCOCC2)[C@@H](C)C1 ZINC000634707662 372152390 /nfs/dbraw/zinc/15/23/90/372152390.db2.gz JSUKNLUXVAICSP-IHRRRGAJSA-N 2 2 286.416 0.209 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]C[C@@H](O)CC2(O)CCOCC2)[C@@H](C)C1 ZINC000634707662 372152396 /nfs/dbraw/zinc/15/23/96/372152396.db2.gz JSUKNLUXVAICSP-IHRRRGAJSA-N 2 2 286.416 0.209 20 0 CCADLP C[C@](O)(C[C@@H](O)C[NH2+][C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000634712087 372157785 /nfs/dbraw/zinc/15/77/85/372157785.db2.gz YXXPVUMRHNVJIH-GUTXKFCHSA-N 2 2 279.384 0.700 20 0 CCADLP Cn1ncc2c1nc(N)[nH+]c2N1CCC[C@@H](CC[NH3+])C1 ZINC000634808137 372250104 /nfs/dbraw/zinc/25/01/04/372250104.db2.gz JWROMSOSVMILPA-VIFPVBQESA-N 2 2 275.360 0.341 20 0 CCADLP C[C@H](O)CNc1cc(N[C@H]2CC[NH2+][C@@H](C)C2)nc[nH+]1 ZINC000634808513 372250467 /nfs/dbraw/zinc/25/04/67/372250467.db2.gz VRDJXLXVVMMKMC-DCAQKATOSA-N 2 2 265.361 0.822 20 0 CCADLP C[C@H](O)CNc1cc(N[C@H]2CC[NH2+][C@@H](C)C2)[nH+]cn1 ZINC000634808513 372250471 /nfs/dbraw/zinc/25/04/71/372250471.db2.gz VRDJXLXVVMMKMC-DCAQKATOSA-N 2 2 265.361 0.822 20 0 CCADLP C[C@@H](O)[C@@H]1CCN(c2cc(NC3C[NH2+]C3)nc[nH+]2)C1 ZINC000634809605 372252205 /nfs/dbraw/zinc/25/22/05/372252205.db2.gz XBEMTVVZGQNIPF-NXEZZACHSA-N 2 2 263.345 0.067 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)Nc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000634810118 372253207 /nfs/dbraw/zinc/25/32/07/372253207.db2.gz MPRVDMQMNAVLQU-MNOVXSKESA-N 2 2 279.388 0.975 20 0 CCADLP Cc1cc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)nc(-c2ccncc2)[nH+]1 ZINC000634809995 372253250 /nfs/dbraw/zinc/25/32/50/372253250.db2.gz INJLERZTTTWQIV-IMRBUKKESA-N 2 2 267.336 0.899 20 0 CCADLP c1nc(N2CCOCC2)cc(N[C@H]2CCC[NH2+]CC2)[nH+]1 ZINC000634813375 372258676 /nfs/dbraw/zinc/25/86/76/372258676.db2.gz ITGSUVGZPYENSJ-LBPRGKRZSA-N 2 2 277.372 0.867 20 0 CCADLP c1nc(N[C@H]2CCC[NH2+]CC2)cc(N2CCOCC2)[nH+]1 ZINC000634813375 372258680 /nfs/dbraw/zinc/25/86/80/372258680.db2.gz ITGSUVGZPYENSJ-LBPRGKRZSA-N 2 2 277.372 0.867 20 0 CCADLP CC1CC[NH+](CC[NH2+][C@@H]2CCNC(=O)CC2)CC1 ZINC000634952579 372308772 /nfs/dbraw/zinc/30/87/72/372308772.db2.gz CWSSQWZOOJAIKU-ZDUSSCGKSA-N 2 2 253.390 0.977 20 0 CCADLP O=C(NC1CC1)N[C@@H]1CC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634994012 372329593 /nfs/dbraw/zinc/32/95/93/372329593.db2.gz NOVFHFKJROHENC-KSGYAGIASA-N 2 2 264.373 0.274 20 0 CCADLP O=C(NC1CC1)N[C@@H]1CC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634994012 372329596 /nfs/dbraw/zinc/32/95/96/372329596.db2.gz NOVFHFKJROHENC-KSGYAGIASA-N 2 2 264.373 0.274 20 0 CCADLP Cc1ccc(O)c(C[NH+]2CCC([NH2+]CCO)CC2)n1 ZINC000635001110 372337259 /nfs/dbraw/zinc/33/72/59/372337259.db2.gz GZNVPHFNQRAGMX-UHFFFAOYSA-N 2 2 265.357 0.642 20 0 CCADLP Cc1nn(C)c(C)c1C[NH+]1CCC([NH2+]CCO)CC1 ZINC000635001033 372338249 /nfs/dbraw/zinc/33/82/49/372338249.db2.gz CJTWFWVDUOHLNQ-UHFFFAOYSA-N 2 2 266.389 0.583 20 0 CCADLP CCC[C@H](CCO)[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000635006174 372340417 /nfs/dbraw/zinc/34/04/17/372340417.db2.gz XSIISIFJVNKULH-MCIONIFRSA-N 2 2 256.390 0.894 20 0 CCADLP C[NH+]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000635056946 372358412 /nfs/dbraw/zinc/35/84/12/372358412.db2.gz MTULIYBKMAPESK-UHFFFAOYSA-N 2 2 269.389 0.119 20 0 CCADLP C[C@H](C(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[NH+](C)C ZINC000635165590 372401086 /nfs/dbraw/zinc/40/10/86/372401086.db2.gz TUIKODYXYQJSKZ-GFCCVEGCSA-N 2 2 292.383 0.485 20 0 CCADLP C[C@H](C(=O)NCc1ccc[nH+]c1N(C)C)[NH+](C)C ZINC000635285204 372447570 /nfs/dbraw/zinc/44/75/70/372447570.db2.gz LSFUCFISRQQSIS-SNVBAGLBSA-N 2 2 250.346 0.714 20 0 CCADLP CCc1c[nH]c(CC(=O)NCC[N@H+](C)CCOC)[nH+]1 ZINC000635478403 372544225 /nfs/dbraw/zinc/54/42/25/372544225.db2.gz CPFXRSKDJKERGL-UHFFFAOYSA-N 2 2 268.361 0.209 20 0 CCADLP CCc1c[nH]c(CC(=O)NCC[N@@H+](C)CCOC)[nH+]1 ZINC000635478403 372544229 /nfs/dbraw/zinc/54/42/29/372544229.db2.gz CPFXRSKDJKERGL-UHFFFAOYSA-N 2 2 268.361 0.209 20 0 CCADLP COCCOCC[N@H+](C)CCC(=O)Nc1cc[nH+]c(C)c1 ZINC000635552994 372620525 /nfs/dbraw/zinc/62/05/25/372620525.db2.gz WFKSLUQKNHDEKK-UHFFFAOYSA-N 2 2 295.383 0.735 20 0 CCADLP COCCOCC[N@@H+](C)CCC(=O)Nc1cc[nH+]c(C)c1 ZINC000635552994 372620528 /nfs/dbraw/zinc/62/05/28/372620528.db2.gz WFKSLUQKNHDEKK-UHFFFAOYSA-N 2 2 295.383 0.735 20 0 CCADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(Cc2cc(C)on2)CC1 ZINC000568051324 291549959 /nfs/dbraw/zinc/54/99/59/291549959.db2.gz CNEJCKYWQSKGHF-AWEZNQCLSA-N 2 2 282.388 0.071 20 0 CCADLP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)CS(C)(=O)=O)C1 ZINC000119501877 284347504 /nfs/dbraw/zinc/34/75/04/284347504.db2.gz XMKVNWDINFTLQW-OLZOCXBDSA-N 2 2 276.446 0.941 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)CS(C)(=O)=O)C1 ZINC000119501877 284347506 /nfs/dbraw/zinc/34/75/06/284347506.db2.gz XMKVNWDINFTLQW-OLZOCXBDSA-N 2 2 276.446 0.941 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](C)CS(C)(=O)=O)C1 ZINC000119501877 284347508 /nfs/dbraw/zinc/34/75/08/284347508.db2.gz XMKVNWDINFTLQW-OLZOCXBDSA-N 2 2 276.446 0.941 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](C)CS(C)(=O)=O)C1 ZINC000119501877 284347509 /nfs/dbraw/zinc/34/75/09/284347509.db2.gz XMKVNWDINFTLQW-OLZOCXBDSA-N 2 2 276.446 0.941 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H](C)C1 ZINC000635818756 372951131 /nfs/dbraw/zinc/95/11/31/372951131.db2.gz LGRVYVHPRMRPJQ-YVECIDJPSA-N 2 2 292.383 0.427 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H](C)C1 ZINC000635818756 372951138 /nfs/dbraw/zinc/95/11/38/372951138.db2.gz LGRVYVHPRMRPJQ-YVECIDJPSA-N 2 2 292.383 0.427 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H](C)C1 ZINC000635818756 372951143 /nfs/dbraw/zinc/95/11/43/372951143.db2.gz LGRVYVHPRMRPJQ-YVECIDJPSA-N 2 2 292.383 0.427 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H](C)C1 ZINC000635818756 372951150 /nfs/dbraw/zinc/95/11/50/372951150.db2.gz LGRVYVHPRMRPJQ-YVECIDJPSA-N 2 2 292.383 0.427 20 0 CCADLP C[C@H]([C@H](C)NC(=O)NC[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000333396814 205286364 /nfs/dbraw/zinc/28/63/64/205286364.db2.gz PKWCBKJKDWAWMZ-MJBXVCDLSA-N 2 2 298.431 0.394 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)n1C ZINC000333415793 205301343 /nfs/dbraw/zinc/30/13/43/205301343.db2.gz IAYMIYUUPRULDP-WFASDCNBSA-N 2 2 294.399 0.914 20 0 CCADLP CCc1c[nH]c(CC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)[nH+]1 ZINC000635991069 373215995 /nfs/dbraw/zinc/21/59/95/373215995.db2.gz FDKALJCNEOMHHD-CMPLNLGQSA-N 2 2 262.357 0.677 20 0 CCADLP CCc1c[nH]c(CC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)[nH+]1 ZINC000635991069 373216003 /nfs/dbraw/zinc/21/60/03/373216003.db2.gz FDKALJCNEOMHHD-CMPLNLGQSA-N 2 2 262.357 0.677 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000656475791 412810146 /nfs/dbraw/zinc/81/01/46/412810146.db2.gz MNSIXIRZWGLXGX-ZBOXLXRLSA-N 2 2 263.345 0.404 20 0 CCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000333667178 205571991 /nfs/dbraw/zinc/57/19/91/205571991.db2.gz MLXIACPGLFGPSW-LLVKDONJSA-N 2 2 297.403 0.379 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000636279626 373512724 /nfs/dbraw/zinc/51/27/24/373512724.db2.gz VUDAJNCFZWWEAX-LBPRGKRZSA-N 2 2 280.372 0.453 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000636279626 373512728 /nfs/dbraw/zinc/51/27/28/373512728.db2.gz VUDAJNCFZWWEAX-LBPRGKRZSA-N 2 2 280.372 0.453 20 0 CCADLP C[C@H](CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C[NH+]1CCCC1 ZINC000636605056 373669379 /nfs/dbraw/zinc/66/93/79/373669379.db2.gz GCPSKLZIXRHSGS-CHWSQXEVSA-N 2 2 291.399 0.839 20 0 CCADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000636789709 373757647 /nfs/dbraw/zinc/75/76/47/373757647.db2.gz JIWYXMSSDKSRMV-WDEREUQCSA-N 2 2 275.356 0.344 20 0 CCADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000636789709 373757651 /nfs/dbraw/zinc/75/76/51/373757651.db2.gz JIWYXMSSDKSRMV-WDEREUQCSA-N 2 2 275.356 0.344 20 0 CCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000637442386 374163249 /nfs/dbraw/zinc/16/32/49/374163249.db2.gz GFSJEZIIBXMTAK-KBPBESRZSA-N 2 2 298.431 0.300 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000637442386 374163256 /nfs/dbraw/zinc/16/32/56/374163256.db2.gz GFSJEZIIBXMTAK-KBPBESRZSA-N 2 2 298.431 0.300 20 0 CCADLP CC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000637442386 374163264 /nfs/dbraw/zinc/16/32/64/374163264.db2.gz GFSJEZIIBXMTAK-KBPBESRZSA-N 2 2 298.431 0.300 20 0 CCADLP CC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000637442386 374163269 /nfs/dbraw/zinc/16/32/69/374163269.db2.gz GFSJEZIIBXMTAK-KBPBESRZSA-N 2 2 298.431 0.300 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC[C@H]1COCC[NH+]1C ZINC000637445218 374170104 /nfs/dbraw/zinc/17/01/04/374170104.db2.gz XLOZWQVXXJMKLV-HZSPNIEDSA-N 2 2 298.431 0.299 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC[C@H]1COCC[NH+]1C ZINC000637445218 374170107 /nfs/dbraw/zinc/17/01/07/374170107.db2.gz XLOZWQVXXJMKLV-HZSPNIEDSA-N 2 2 298.431 0.299 20 0 CCADLP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637445218 374170110 /nfs/dbraw/zinc/17/01/10/374170110.db2.gz XLOZWQVXXJMKLV-HZSPNIEDSA-N 2 2 298.431 0.299 20 0 CCADLP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000637445218 374170113 /nfs/dbraw/zinc/17/01/13/374170113.db2.gz XLOZWQVXXJMKLV-HZSPNIEDSA-N 2 2 298.431 0.299 20 0 CCADLP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2COCC[NH+]2C)CC[N@@H+]1C ZINC000637448056 374174989 /nfs/dbraw/zinc/17/49/89/374174989.db2.gz SPJTVXOGXSYJNQ-HZSPNIEDSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2COCC[NH+]2C)CC[N@H+]1C ZINC000637448056 374174996 /nfs/dbraw/zinc/17/49/96/374174996.db2.gz SPJTVXOGXSYJNQ-HZSPNIEDSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2COCC[N@@H+]2C)CC[NH+]1C ZINC000637448056 374175001 /nfs/dbraw/zinc/17/50/01/374175001.db2.gz SPJTVXOGXSYJNQ-HZSPNIEDSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2COCC[N@H+]2C)CC[NH+]1C ZINC000637448056 374175008 /nfs/dbraw/zinc/17/50/08/374175008.db2.gz SPJTVXOGXSYJNQ-HZSPNIEDSA-N 2 2 298.431 0.441 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000334122235 206030479 /nfs/dbraw/zinc/03/04/79/206030479.db2.gz MGEDKIFCRZVWHN-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000334122235 206030481 /nfs/dbraw/zinc/03/04/81/206030481.db2.gz MGEDKIFCRZVWHN-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CCCCNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000656542475 412821342 /nfs/dbraw/zinc/82/13/42/412821342.db2.gz HRAWOOPKZKMGAD-UHFFFAOYSA-N 2 2 258.410 0.969 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[NH2+]C[C@@H]1C)CC2 ZINC000637819305 374355026 /nfs/dbraw/zinc/35/50/26/374355026.db2.gz SCHQCHKSNWKQEV-NWDGAFQWSA-N 2 2 262.357 0.574 20 0 CCADLP C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)C1 ZINC000637821873 374359955 /nfs/dbraw/zinc/35/99/55/374359955.db2.gz DUDICFDELQJTPF-OLZOCXBDSA-N 2 2 276.384 0.964 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000334133739 206044036 /nfs/dbraw/zinc/04/40/36/206044036.db2.gz WQCOIORQYCPAIV-MCIONIFRSA-N 2 2 296.415 0.243 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000334133739 206044041 /nfs/dbraw/zinc/04/40/41/206044041.db2.gz WQCOIORQYCPAIV-MCIONIFRSA-N 2 2 296.415 0.243 20 0 CCADLP CC[NH+]1CC[C@@H](NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000334133739 206044046 /nfs/dbraw/zinc/04/40/46/206044046.db2.gz WQCOIORQYCPAIV-MCIONIFRSA-N 2 2 296.415 0.243 20 0 CCADLP CC[NH+]1CC[C@@H](NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000334133739 206044051 /nfs/dbraw/zinc/04/40/51/206044051.db2.gz WQCOIORQYCPAIV-MCIONIFRSA-N 2 2 296.415 0.243 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@@H]2CCC[NH2+]C2)[nH+]1 ZINC000637815819 374349418 /nfs/dbraw/zinc/34/94/18/374349418.db2.gz XVQJNUHDRZGTHU-SNVBAGLBSA-N 2 2 250.346 0.630 20 0 CCADLP CCCCNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000656542475 412821339 /nfs/dbraw/zinc/82/13/39/412821339.db2.gz HRAWOOPKZKMGAD-UHFFFAOYSA-N 2 2 258.410 0.969 20 0 CCADLP C[C@@H](C[NH3+])N(C)C(=O)[C@H]([NH3+])CN(C)Cc1ccccc1 ZINC000637841740 374391873 /nfs/dbraw/zinc/39/18/73/374391873.db2.gz MJVTYBHTNBOXQM-GXTWGEPZSA-N 2 2 278.400 0.251 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@](C)(C[NH3+])C2CC2)[nH+]1 ZINC000637842507 374394490 /nfs/dbraw/zinc/39/44/90/374394490.db2.gz QNMLHHQLZWGPGX-CYBMUJFWSA-N 2 2 250.346 0.758 20 0 CCADLP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000637863264 374423268 /nfs/dbraw/zinc/42/32/68/374423268.db2.gz WSDCLFVFDLBDTQ-CHWSQXEVSA-N 2 2 276.384 0.964 20 0 CCADLP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000637863267 374423644 /nfs/dbraw/zinc/42/36/44/374423644.db2.gz WSDCLFVFDLBDTQ-STQMWFEESA-N 2 2 276.384 0.964 20 0 CCADLP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000638052797 374595953 /nfs/dbraw/zinc/59/59/53/374595953.db2.gz AYUBBGTWBHZMHB-OLZOCXBDSA-N 2 2 295.408 0.509 20 0 CCADLP C[C@H](CNC(=O)CCC1C[NH2+]C1)Cn1cc[nH+]c1 ZINC000638074735 374629500 /nfs/dbraw/zinc/62/95/00/374629500.db2.gz AMEDAENUMOZTQE-LLVKDONJSA-N 2 2 250.346 0.635 20 0 CCADLP [NH3+]C[C@]1(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCCOC1 ZINC000638077423 374632367 /nfs/dbraw/zinc/63/23/67/374632367.db2.gz SHRCMOHSAALLCG-IUODEOHRSA-N 2 2 292.383 0.871 20 0 CCADLP [NH3+][C@@H]1CCO[C@@H]1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000638079883 374638115 /nfs/dbraw/zinc/63/81/15/374638115.db2.gz QPUZYPYSNGLYNF-KGLIPLIRSA-N 2 2 275.352 0.235 20 0 CCADLP O=C(CCC1C[NH2+]C1)NCCc1cn2c([nH+]1)CCCC2 ZINC000638072065 374623196 /nfs/dbraw/zinc/62/31/96/374623196.db2.gz PELBNFYGNNABCU-UHFFFAOYSA-N 2 2 276.384 0.878 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000638090246 374651723 /nfs/dbraw/zinc/65/17/23/374651723.db2.gz GJSPKLWKYCQNKW-LLVKDONJSA-N 2 2 281.356 0.497 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000638090246 374651729 /nfs/dbraw/zinc/65/17/29/374651729.db2.gz GJSPKLWKYCQNKW-LLVKDONJSA-N 2 2 281.356 0.497 20 0 CCADLP COc1cccc(C[C@@H]([NH3+])C(=O)NCc2[nH]c[nH+]c2C)c1 ZINC000638130776 374700189 /nfs/dbraw/zinc/70/01/89/374700189.db2.gz IHTCGHGXTVYCRJ-CYBMUJFWSA-N 2 2 288.351 0.913 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000638097819 374659254 /nfs/dbraw/zinc/65/92/54/374659254.db2.gz HAQLTZAVRILFGZ-NSHDSACASA-N 2 2 281.356 0.497 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000638097819 374659256 /nfs/dbraw/zinc/65/92/56/374659256.db2.gz HAQLTZAVRILFGZ-NSHDSACASA-N 2 2 281.356 0.497 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000638099055 374662130 /nfs/dbraw/zinc/66/21/30/374662130.db2.gz FABPEXCSLSECAH-UTUOFQBUSA-N 2 2 257.378 0.210 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000638163764 374741273 /nfs/dbraw/zinc/74/12/73/374741273.db2.gz HOPGQKXMDMTOQT-TUAOUCFPSA-N 2 2 262.357 0.846 20 0 CCADLP COC[C@@]1(CNC(=O)Cc2[nH]c[nH+]c2C)CCC[NH2+]1 ZINC000638228203 374817273 /nfs/dbraw/zinc/81/72/73/374817273.db2.gz DQNJVZMPCMNGPO-ZDUSSCGKSA-N 2 2 266.345 0.145 20 0 CCADLP COC[C@@]1(CNC(=O)Cc2[nH+]c[nH]c2C)CCC[NH2+]1 ZINC000638228203 374817281 /nfs/dbraw/zinc/81/72/81/374817281.db2.gz DQNJVZMPCMNGPO-ZDUSSCGKSA-N 2 2 266.345 0.145 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000638232173 374823701 /nfs/dbraw/zinc/82/37/01/374823701.db2.gz DSIZKHXEPZONLM-LLVKDONJSA-N 2 2 250.346 0.991 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@H]2C[NH2+]CCCO2)[nH+]1 ZINC000638268235 374868103 /nfs/dbraw/zinc/86/81/03/374868103.db2.gz XWWCDLLIQBSKNP-LLVKDONJSA-N 2 2 266.345 0.009 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000638278065 374880872 /nfs/dbraw/zinc/88/08/72/374880872.db2.gz PYXPCZUDCHAKNN-GFCCVEGCSA-N 2 2 279.388 0.062 20 0 CCADLP CO[C@H](C[NH2+]CCC[NH+]1CCOCC1)C1CCOCC1 ZINC000638285079 374893693 /nfs/dbraw/zinc/89/36/93/374893693.db2.gz FTRFPJHLJCIUHI-OAHLLOKOSA-N 2 2 286.416 0.740 20 0 CCADLP Cc1cc(NC(=O)NCC(F)(F)C[NH3+])c(C)c[nH+]1 ZINC000574544912 335028644 /nfs/dbraw/zinc/02/86/44/335028644.db2.gz PTGRQEFMWUHLPF-UHFFFAOYSA-N 2 2 258.272 0.836 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000638257651 374855033 /nfs/dbraw/zinc/85/50/33/374855033.db2.gz CGSPXAMKRZKTNJ-GHMZBOCLSA-N 2 2 250.346 0.607 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000638328730 374929229 /nfs/dbraw/zinc/92/92/29/374929229.db2.gz KIRKDIXGWNPOKZ-AWEZNQCLSA-N 2 2 285.351 0.760 20 0 CCADLP O=C(NC[C@H]1C[NH2+]CCO1)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000638338526 374939831 /nfs/dbraw/zinc/93/98/31/374939831.db2.gz YGCIYORRVBQCIM-CYBMUJFWSA-N 2 2 286.335 0.795 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000638342271 374941988 /nfs/dbraw/zinc/94/19/88/374941988.db2.gz PKVXEBOFHCTKEL-GXSJLCMTSA-N 2 2 250.346 0.704 20 0 CCADLP CC(C)C[C@@H](C(=O)N1CCC(O)(C[NH3+])CC1)n1cc[nH+]c1 ZINC000638354467 374951050 /nfs/dbraw/zinc/95/10/50/374951050.db2.gz NRVHVGQIVLIQSG-ZDUSSCGKSA-N 2 2 294.399 0.783 20 0 CCADLP CC(C)[C@@H](C[NH2+]Cc1ncnn1C)N1CC[NH+](C)CC1 ZINC000638352914 374951389 /nfs/dbraw/zinc/95/13/89/374951389.db2.gz OUUZOJRMCSJYSS-CYBMUJFWSA-N 2 2 280.420 0.177 20 0 CCADLP Cc1cc(CNC(=O)[C@@]2(C)C[NH2+]CCO2)cc(C)[nH+]1 ZINC000638354932 374953307 /nfs/dbraw/zinc/95/33/07/374953307.db2.gz YWSVEWQETXOQQX-CQSZACIVSA-N 2 2 263.341 0.693 20 0 CCADLP CC(C)C[C@H](C(=O)N1CCOC2(C[NH2+]C2)C1)n1cc[nH+]c1 ZINC000638440018 375042226 /nfs/dbraw/zinc/04/22/26/375042226.db2.gz MQTGXULUTABKJW-CYBMUJFWSA-N 2 2 292.383 0.671 20 0 CCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000638491520 375084212 /nfs/dbraw/zinc/08/42/12/375084212.db2.gz GTNAIQJONWSEJJ-CHWSQXEVSA-N 2 2 276.384 0.902 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCNC(=O)C1 ZINC000638509654 375100008 /nfs/dbraw/zinc/10/00/08/375100008.db2.gz NWTIPQGYONKTMQ-CHWSQXEVSA-N 2 2 269.389 0.356 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCNC(=O)C1 ZINC000638509654 375100011 /nfs/dbraw/zinc/10/00/11/375100011.db2.gz NWTIPQGYONKTMQ-CHWSQXEVSA-N 2 2 269.389 0.356 20 0 CCADLP CCN(CC[NH3+])C(=O)[C@H]([NH3+])CN(C)Cc1ccccc1 ZINC000638512734 375102839 /nfs/dbraw/zinc/10/28/39/375102839.db2.gz KWBSMGLIXBJWRR-CQSZACIVSA-N 2 2 278.400 0.253 20 0 CCADLP CCN(CC[NH3+])C(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000638513843 375104443 /nfs/dbraw/zinc/10/44/43/375104443.db2.gz WLKYDNJHSXFMNN-LLVKDONJSA-N 2 2 250.346 0.561 20 0 CCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@@H]1CC1(F)F ZINC000638440058 375043454 /nfs/dbraw/zinc/04/34/54/375043454.db2.gz NNOBXGGHMFCKAE-ZJUUUORDSA-N 2 2 261.316 0.394 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)c1ccsc1 ZINC000574581769 335031865 /nfs/dbraw/zinc/03/18/65/335031865.db2.gz QMPRIGDYNZWJEC-STQMWFEESA-N 2 2 288.413 0.310 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)c1ccsc1 ZINC000574581769 335031866 /nfs/dbraw/zinc/03/18/66/335031866.db2.gz QMPRIGDYNZWJEC-STQMWFEESA-N 2 2 288.413 0.310 20 0 CCADLP O=C1C[C@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)CCCN1 ZINC000638582993 375162766 /nfs/dbraw/zinc/16/27/66/375162766.db2.gz WNHPRKHFXJTVMB-CHWSQXEVSA-N 2 2 251.374 0.729 20 0 CCADLP O=C1C[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)CCCN1 ZINC000638582993 375162769 /nfs/dbraw/zinc/16/27/69/375162769.db2.gz WNHPRKHFXJTVMB-CHWSQXEVSA-N 2 2 251.374 0.729 20 0 CCADLP C[NH2+]CCCC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000638584258 375164105 /nfs/dbraw/zinc/16/41/05/375164105.db2.gz RPVDLKWUHRASDC-UHFFFAOYSA-N 2 2 293.415 0.858 20 0 CCADLP Cc1cc(NCCNC(=O)[C@@H](C)[C@@H](C)[NH3+])nc(C(C)C)[nH+]1 ZINC000638584290 375164843 /nfs/dbraw/zinc/16/48/43/375164843.db2.gz SOHHQWGVAXMRHX-NWDGAFQWSA-N 2 2 293.415 0.842 20 0 CCADLP C[C@H](C[NH2+][C@H](C)C[C@H]1CCCC(=O)N1)C[NH+]1CCOCC1 ZINC000638675034 375279138 /nfs/dbraw/zinc/27/91/38/375279138.db2.gz QQBRREIBRWBJIY-RBSFLKMASA-N 2 2 297.443 0.992 20 0 CCADLP [NH3+]CCCOCCNC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000638661872 375264661 /nfs/dbraw/zinc/26/46/61/375264661.db2.gz HJPAEOYVNRADPW-GFCCVEGCSA-N 2 2 287.310 0.446 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000638766377 375344306 /nfs/dbraw/zinc/34/43/06/375344306.db2.gz VEQIUNWQWILZAC-YUTCNCBUSA-N 2 2 281.400 0.496 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000638766377 375344313 /nfs/dbraw/zinc/34/43/13/375344313.db2.gz VEQIUNWQWILZAC-YUTCNCBUSA-N 2 2 281.400 0.496 20 0 CCADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000638931833 375468170 /nfs/dbraw/zinc/46/81/70/375468170.db2.gz OYTZAUJJGMBCHL-WDEREUQCSA-N 2 2 271.324 0.829 20 0 CCADLP CO[C@]1(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)CCOC1 ZINC000638917875 375455786 /nfs/dbraw/zinc/45/57/86/375455786.db2.gz JUGTVJGADLUUIY-IHRRRGAJSA-N 2 2 254.374 0.818 20 0 CCADLP CO[C@]1(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)CCOC1 ZINC000638917875 375455791 /nfs/dbraw/zinc/45/57/91/375455791.db2.gz JUGTVJGADLUUIY-IHRRRGAJSA-N 2 2 254.374 0.818 20 0 CCADLP CO[C@]1(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)CCOC1 ZINC000638917875 375455796 /nfs/dbraw/zinc/45/57/96/375455796.db2.gz JUGTVJGADLUUIY-IHRRRGAJSA-N 2 2 254.374 0.818 20 0 CCADLP CO[C@]1(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CCOC1 ZINC000638917875 375455800 /nfs/dbraw/zinc/45/58/00/375455800.db2.gz JUGTVJGADLUUIY-IHRRRGAJSA-N 2 2 254.374 0.818 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638984656 375496941 /nfs/dbraw/zinc/49/69/41/375496941.db2.gz YTDFMRDJDVCDMJ-NSHDSACASA-N 3 2 277.372 0.428 20 0 CCADLP Cn1cncc1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638984191 375497451 /nfs/dbraw/zinc/49/74/51/375497451.db2.gz JSYWFTIQIBWXLK-UHFFFAOYSA-N 2 2 286.339 0.477 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccnn1CC1CCC1 ZINC000639003937 375513522 /nfs/dbraw/zinc/51/35/22/375513522.db2.gz CPNMXJMDKSJALQ-GFCCVEGCSA-N 2 2 279.388 0.901 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cccc(F)c2N)C1 ZINC000639049001 375546949 /nfs/dbraw/zinc/54/69/49/375546949.db2.gz GFMQTQFHGNGJMT-ZDUSSCGKSA-N 2 2 253.321 0.564 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cccc(F)c2N)C1 ZINC000639049001 375546956 /nfs/dbraw/zinc/54/69/56/375546956.db2.gz GFMQTQFHGNGJMT-ZDUSSCGKSA-N 2 2 253.321 0.564 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1(C)C)[C@@H]1CCSC1 ZINC000334262913 206277100 /nfs/dbraw/zinc/27/71/00/206277100.db2.gz CJFXCFIBWKPKOI-GFCCVEGCSA-N 2 2 285.457 0.976 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1(C)C)[C@@H]1CCSC1 ZINC000334262913 206277103 /nfs/dbraw/zinc/27/71/03/206277103.db2.gz CJFXCFIBWKPKOI-GFCCVEGCSA-N 2 2 285.457 0.976 20 0 CCADLP C[NH+](CC(=O)N1CC[N@H+](C)CC1(C)C)[C@@H]1CCSC1 ZINC000334262913 206277106 /nfs/dbraw/zinc/27/71/06/206277106.db2.gz CJFXCFIBWKPKOI-GFCCVEGCSA-N 2 2 285.457 0.976 20 0 CCADLP C[NH+](CC(=O)N1CC[N@@H+](C)CC1(C)C)[C@@H]1CCSC1 ZINC000334262913 206277109 /nfs/dbraw/zinc/27/71/09/206277109.db2.gz CJFXCFIBWKPKOI-GFCCVEGCSA-N 2 2 285.457 0.976 20 0 CCADLP C[C@H](Cc1cnccn1)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000639218914 375641894 /nfs/dbraw/zinc/64/18/94/375641894.db2.gz QDNWICNSORDOPB-HIFRSBDPSA-N 2 2 278.400 0.844 20 0 CCADLP C[C@H](Cc1cnccn1)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000639218914 375641899 /nfs/dbraw/zinc/64/18/99/375641899.db2.gz QDNWICNSORDOPB-HIFRSBDPSA-N 2 2 278.400 0.844 20 0 CCADLP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000639220287 375644577 /nfs/dbraw/zinc/64/45/77/375644577.db2.gz WXAVEZZTOTWSQS-ILXRZTDVSA-N 2 2 297.443 0.870 20 0 CCADLP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000639220287 375644578 /nfs/dbraw/zinc/64/45/78/375644578.db2.gz WXAVEZZTOTWSQS-ILXRZTDVSA-N 2 2 297.443 0.870 20 0 CCADLP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000639255991 375668366 /nfs/dbraw/zinc/66/83/66/375668366.db2.gz RJGGDIRMIXEJPS-NWDGAFQWSA-N 2 2 264.373 1.000 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CC(n2cccn2)C1 ZINC000639350495 375751154 /nfs/dbraw/zinc/75/11/54/375751154.db2.gz ZQQQJQAPLVTYNP-RUXDESIVSA-N 2 2 291.399 0.516 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C1CC(n2cccn2)C1 ZINC000639350495 375751164 /nfs/dbraw/zinc/75/11/64/375751164.db2.gz ZQQQJQAPLVTYNP-RUXDESIVSA-N 2 2 291.399 0.516 20 0 CCADLP CC(C)C(=O)N1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000639435826 375780577 /nfs/dbraw/zinc/78/05/77/375780577.db2.gz UKJLIYYQYMKDSC-UHFFFAOYSA-N 2 2 264.373 0.763 20 0 CCADLP O=c1c(C[NH2+]CC[N@H+]2CC[C@H](O)C2)cccn1C(F)F ZINC000639358220 375756827 /nfs/dbraw/zinc/75/68/27/375756827.db2.gz VHJDLWSKAARHPN-NSHDSACASA-N 2 2 287.310 0.400 20 0 CCADLP O=c1c(C[NH2+]CC[N@@H+]2CC[C@H](O)C2)cccn1C(F)F ZINC000639358220 375756831 /nfs/dbraw/zinc/75/68/31/375756831.db2.gz VHJDLWSKAARHPN-NSHDSACASA-N 2 2 287.310 0.400 20 0 CCADLP CC[N@H+](CCc1c[nH+]cn1C)[C@@H](C)CS(C)(=O)=O ZINC000639489744 375807410 /nfs/dbraw/zinc/80/74/10/375807410.db2.gz SVKFVMALGWJCOQ-NSHDSACASA-N 2 2 273.402 0.718 20 0 CCADLP CC[N@@H+](CCc1c[nH+]cn1C)[C@@H](C)CS(C)(=O)=O ZINC000639489744 375807417 /nfs/dbraw/zinc/80/74/17/375807417.db2.gz SVKFVMALGWJCOQ-NSHDSACASA-N 2 2 273.402 0.718 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000639491992 375808102 /nfs/dbraw/zinc/80/81/02/375808102.db2.gz VJAWOLNDCOIJJW-CYBMUJFWSA-N 2 2 277.372 0.452 20 0 CCADLP c1cnc(CC[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cn1 ZINC000639498761 375810068 /nfs/dbraw/zinc/81/00/68/375810068.db2.gz YOZRTOWLDPIJGD-AWEZNQCLSA-N 2 2 276.384 0.673 20 0 CCADLP c1cnc(CC[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cn1 ZINC000639498761 375810070 /nfs/dbraw/zinc/81/00/70/375810070.db2.gz YOZRTOWLDPIJGD-AWEZNQCLSA-N 2 2 276.384 0.673 20 0 CCADLP COCCOC[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000639506219 375814447 /nfs/dbraw/zinc/81/44/47/375814447.db2.gz PWLCMYXWXMDDKD-CYBMUJFWSA-N 2 2 267.373 0.948 20 0 CCADLP COCCOC[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000639506219 375814449 /nfs/dbraw/zinc/81/44/49/375814449.db2.gz PWLCMYXWXMDDKD-CYBMUJFWSA-N 2 2 267.373 0.948 20 0 CCADLP CCC(=O)N[C@@H]1CCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000639473179 375793211 /nfs/dbraw/zinc/79/32/11/375793211.db2.gz QPLQXIMXTOQYSF-GFCCVEGCSA-N 2 2 264.373 0.953 20 0 CCADLP CCC(=O)N[C@@H]1CCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000639473179 375793212 /nfs/dbraw/zinc/79/32/12/375793212.db2.gz QPLQXIMXTOQYSF-GFCCVEGCSA-N 2 2 264.373 0.953 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000656702132 412843253 /nfs/dbraw/zinc/84/32/53/412843253.db2.gz LUCPKJANHMLWSX-MJBXVCDLSA-N 2 2 288.432 0.861 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000656702132 412843257 /nfs/dbraw/zinc/84/32/57/412843257.db2.gz LUCPKJANHMLWSX-MJBXVCDLSA-N 2 2 288.432 0.861 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC000656702709 412843795 /nfs/dbraw/zinc/84/37/95/412843795.db2.gz RMSGACDAGKQTCP-STQMWFEESA-N 2 2 266.389 0.706 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC000656702709 412843798 /nfs/dbraw/zinc/84/37/98/412843798.db2.gz RMSGACDAGKQTCP-STQMWFEESA-N 2 2 266.389 0.706 20 0 CCADLP C[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)[C@@H](C(N)=O)C1 ZINC000639599879 375852589 /nfs/dbraw/zinc/85/25/89/375852589.db2.gz WFMQNZLWQNZLST-ZYHUDNBSSA-N 2 2 250.346 0.548 20 0 CCADLP C[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)[C@@H](C(N)=O)C1 ZINC000639599879 375852602 /nfs/dbraw/zinc/85/26/02/375852602.db2.gz WFMQNZLWQNZLST-ZYHUDNBSSA-N 2 2 250.346 0.548 20 0 CCADLP c1nc(N2CC[NH+](CCC[NH+]3CCCCC3)CC2)n[nH]1 ZINC000639731401 375957358 /nfs/dbraw/zinc/95/73/58/375957358.db2.gz FJIRPPDSMMONGL-UHFFFAOYSA-N 2 2 278.404 0.803 20 0 CCADLP C[C@H](C[NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000261588485 190040970 /nfs/dbraw/zinc/04/09/70/190040970.db2.gz KFXVUTAJAKTSBZ-HIFRSBDPSA-N 2 2 291.395 0.598 20 0 CCADLP C[C@H](C[NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000261588485 190040971 /nfs/dbraw/zinc/04/09/71/190040971.db2.gz KFXVUTAJAKTSBZ-HIFRSBDPSA-N 2 2 291.395 0.598 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCOC2CCOCC2)C1 ZINC000639764897 375992293 /nfs/dbraw/zinc/99/22/93/375992293.db2.gz XYIJHNXOHJENSM-HNNXBMFYSA-N 2 2 286.416 0.571 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCOC2CCOCC2)C1 ZINC000639764897 375992300 /nfs/dbraw/zinc/99/23/00/375992300.db2.gz XYIJHNXOHJENSM-HNNXBMFYSA-N 2 2 286.416 0.571 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@H]([NH3+])C2CCOCC2)c[nH+]1 ZINC000261644990 190042086 /nfs/dbraw/zinc/04/20/86/190042086.db2.gz DSNAVWIXALGVTE-CQSZACIVSA-N 2 2 292.383 0.518 20 0 CCADLP CC(C)N1CC[C@@H]([N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)C1=O ZINC000639760099 375981941 /nfs/dbraw/zinc/98/19/41/375981941.db2.gz BLZIZTCJTNMNGH-UKRRQHHQSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)N1CC[C@@H]([N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)C1=O ZINC000639760099 375981947 /nfs/dbraw/zinc/98/19/47/375981947.db2.gz BLZIZTCJTNMNGH-UKRRQHHQSA-N 2 2 283.416 0.384 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C1 ZINC000639760825 375985063 /nfs/dbraw/zinc/98/50/63/375985063.db2.gz BBFMUTQNAZIZAV-CZUORRHYSA-N 2 2 297.443 0.774 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C1 ZINC000639760825 375985072 /nfs/dbraw/zinc/98/50/72/375985072.db2.gz BBFMUTQNAZIZAV-CZUORRHYSA-N 2 2 297.443 0.774 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)C[C@@H](C)O1 ZINC000639763289 375990128 /nfs/dbraw/zinc/99/01/28/375990128.db2.gz PTMOZMZSZJUZSF-BZUAXINKSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)C[C@@H](C)O1 ZINC000639763289 375990130 /nfs/dbraw/zinc/99/01/30/375990130.db2.gz PTMOZMZSZJUZSF-BZUAXINKSA-N 2 2 299.459 0.484 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000639860172 376089373 /nfs/dbraw/zinc/08/93/73/376089373.db2.gz OLLRWBYUXNIVHP-LSDHHAIUSA-N 2 2 293.415 0.853 20 0 CCADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000639860172 376089376 /nfs/dbraw/zinc/08/93/76/376089376.db2.gz OLLRWBYUXNIVHP-LSDHHAIUSA-N 2 2 293.415 0.853 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000639860172 376089377 /nfs/dbraw/zinc/08/93/77/376089377.db2.gz OLLRWBYUXNIVHP-LSDHHAIUSA-N 2 2 293.415 0.853 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000639860172 376089379 /nfs/dbraw/zinc/08/93/79/376089379.db2.gz OLLRWBYUXNIVHP-LSDHHAIUSA-N 2 2 293.415 0.853 20 0 CCADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000262029968 190047467 /nfs/dbraw/zinc/04/74/67/190047467.db2.gz BKYMJOPIWRAKNW-JTQLQIEISA-N 2 2 280.372 0.530 20 0 CCADLP CCN1CC[NH+](Cc2ccccc2CNC(=O)C[NH3+])CC1 ZINC000262151762 190049582 /nfs/dbraw/zinc/04/95/82/190049582.db2.gz NSIKBXIEXBWDJC-UHFFFAOYSA-N 2 2 290.411 0.399 20 0 CCADLP O=C(NCc1ccn2cc[nH+]c2c1)C1CC[NH2+]CC1 ZINC000262167548 190049849 /nfs/dbraw/zinc/04/98/49/190049849.db2.gz WNPNMZBNTUJRRK-UHFFFAOYSA-N 2 2 258.325 0.950 20 0 CCADLP CCCCOCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640059070 376222805 /nfs/dbraw/zinc/22/28/05/376222805.db2.gz PQBKSGKMQTVDTO-UHFFFAOYSA-N 2 2 271.405 0.509 20 0 CCADLP CCCCOCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640059070 376222812 /nfs/dbraw/zinc/22/28/12/376222812.db2.gz PQBKSGKMQTVDTO-UHFFFAOYSA-N 2 2 271.405 0.509 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000262785286 190062895 /nfs/dbraw/zinc/06/28/95/190062895.db2.gz MHTGCDGYZBDAOV-LBPRGKRZSA-N 2 2 276.340 0.357 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000264159722 190093326 /nfs/dbraw/zinc/09/33/26/190093326.db2.gz KRQVIWVAWJOALA-UHFFFAOYSA-N 2 2 295.387 0.330 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000264159722 190093327 /nfs/dbraw/zinc/09/33/27/190093327.db2.gz KRQVIWVAWJOALA-UHFFFAOYSA-N 2 2 295.387 0.330 20 0 CCADLP COCCN(CC[NH+](C)C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000264258971 190100034 /nfs/dbraw/zinc/10/00/34/190100034.db2.gz LSGBJGHLYMXDLL-CYBMUJFWSA-N 2 2 297.403 0.491 20 0 CCADLP C[NH+](C)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000264452067 190110716 /nfs/dbraw/zinc/11/07/16/190110716.db2.gz ODZAELWBJHKYKI-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP Cn1c[nH+]cc1Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000641038508 376699506 /nfs/dbraw/zinc/69/95/06/376699506.db2.gz PWRMTQKQKGSPOF-NSHDSACASA-N 2 2 260.345 0.602 20 0 CCADLP CC(C)CC[C@@H](O)C[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000569095359 291648070 /nfs/dbraw/zinc/64/80/70/291648070.db2.gz PBRFJPQOWOQLNT-OAHLLOKOSA-N 2 2 299.459 0.926 20 0 CCADLP COC[C@@H]([NH3+])Cc1cn(Cc2c[nH+]ccc2C)nn1 ZINC000641070701 376739362 /nfs/dbraw/zinc/73/93/62/376739362.db2.gz KFSQYNXJGYSYTI-LBPRGKRZSA-N 2 2 261.329 0.546 20 0 CCADLP C[C@H]1C[NH+](CCCNc2cc(CO)cc[nH+]2)C[C@H](C)O1 ZINC000641273905 376957439 /nfs/dbraw/zinc/95/74/39/376957439.db2.gz ASALNLJKJPFGMH-STQMWFEESA-N 2 2 279.384 0.907 20 0 CCADLP CC[NH+]1CCC(NS(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000641275319 376959678 /nfs/dbraw/zinc/95/96/78/376959678.db2.gz ZQZAUTZMCRIPJD-UHFFFAOYSA-N 2 2 286.401 0.287 20 0 CCADLP C[C@@H](CN1CC[NH+](C)CC1)Nc1cc[nH+]cc1F ZINC000641362052 377036215 /nfs/dbraw/zinc/03/62/15/377036215.db2.gz NBTJDXMCFRBEEQ-NSHDSACASA-N 2 2 252.337 0.690 20 0 CCADLP CC[N@@H+]1CCN(S(=O)(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC000641394802 377066791 /nfs/dbraw/zinc/06/67/91/377066791.db2.gz SUDWIBMXFNBZKJ-GFCCVEGCSA-N 2 2 286.401 0.239 20 0 CCADLP CC[N@H+]1CCN(S(=O)(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC000641394802 377066798 /nfs/dbraw/zinc/06/67/98/377066798.db2.gz SUDWIBMXFNBZKJ-GFCCVEGCSA-N 2 2 286.401 0.239 20 0 CCADLP CC[NH+](CC)C[C@@H](C)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641444788 377125208 /nfs/dbraw/zinc/12/52/08/377125208.db2.gz USPFLXHZRDNMAA-GFCCVEGCSA-N 2 2 288.417 0.533 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000641720368 377419666 /nfs/dbraw/zinc/41/96/66/377419666.db2.gz SJCQTFZPSAOUEJ-LBPRGKRZSA-N 2 2 289.383 0.604 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000641720368 377419675 /nfs/dbraw/zinc/41/96/75/377419675.db2.gz SJCQTFZPSAOUEJ-LBPRGKRZSA-N 2 2 289.383 0.604 20 0 CCADLP COCc1cc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)no1 ZINC000641717113 377418184 /nfs/dbraw/zinc/41/81/84/377418184.db2.gz YTFXWZTZGYSKIX-CYBMUJFWSA-N 2 2 296.415 0.794 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1cnc(N(C)C)nc1 ZINC000641773827 377458769 /nfs/dbraw/zinc/45/87/69/377458769.db2.gz ZRYJIRRSAOVHCF-CQSZACIVSA-N 2 2 295.431 0.725 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CC[NH+](C)C(C)(C)C1 ZINC000641785240 377461984 /nfs/dbraw/zinc/46/19/84/377461984.db2.gz ZJCMNFIMBRIXCM-CYBMUJFWSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CC[NH+](C)C(C)(C)C1 ZINC000641785240 377461988 /nfs/dbraw/zinc/46/19/88/377461988.db2.gz ZJCMNFIMBRIXCM-CYBMUJFWSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000641785240 377461992 /nfs/dbraw/zinc/46/19/92/377461992.db2.gz ZJCMNFIMBRIXCM-CYBMUJFWSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000641785240 377461996 /nfs/dbraw/zinc/46/19/96/377461996.db2.gz ZJCMNFIMBRIXCM-CYBMUJFWSA-N 2 2 298.431 0.443 20 0 CCADLP CNC(=O)Cc1nc(C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)cs1 ZINC000641802360 377473822 /nfs/dbraw/zinc/47/38/22/377473822.db2.gz JNPPTLDPRNJMMX-NXEZZACHSA-N 2 2 282.413 0.647 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCN2C(=O)CCC2=O)[C@H]1C ZINC000641805239 377475867 /nfs/dbraw/zinc/47/58/67/377475867.db2.gz FADRDKGOLXVXBZ-GRYCIOLGSA-N 2 2 267.373 0.583 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCN2C(=O)CCC2=O)[C@H]1C ZINC000641805239 377475876 /nfs/dbraw/zinc/47/58/76/377475876.db2.gz FADRDKGOLXVXBZ-GRYCIOLGSA-N 2 2 267.373 0.583 20 0 CCADLP CNS(=O)(=O)CCC[N@@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000641805230 377476706 /nfs/dbraw/zinc/47/67/06/377476706.db2.gz DTBKQEFDQLAKCU-WOPDTQHZSA-N 2 2 277.434 0.373 20 0 CCADLP CNS(=O)(=O)CCC[N@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000641805230 377476717 /nfs/dbraw/zinc/47/67/17/377476717.db2.gz DTBKQEFDQLAKCU-WOPDTQHZSA-N 2 2 277.434 0.373 20 0 CCADLP CCc1nc(C)c(C[NH2+]C2(CO)CC[NH2+]CC2)o1 ZINC000641824651 377494501 /nfs/dbraw/zinc/49/45/01/377494501.db2.gz WIJMJBXXFHKBLC-UHFFFAOYSA-N 2 2 253.346 0.750 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000423858832 249015886 /nfs/dbraw/zinc/01/58/86/249015886.db2.gz DXYPETAOPGHWCI-STQMWFEESA-N 2 2 299.415 0.470 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000423858832 249015888 /nfs/dbraw/zinc/01/58/88/249015888.db2.gz DXYPETAOPGHWCI-STQMWFEESA-N 2 2 299.415 0.470 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@@H]1CCOC1 ZINC000351967946 249006242 /nfs/dbraw/zinc/00/62/42/249006242.db2.gz NYSAAMMDNYRSFA-AWEZNQCLSA-N 2 2 297.443 0.897 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@@H]1CCOC1 ZINC000351967946 249006244 /nfs/dbraw/zinc/00/62/44/249006244.db2.gz NYSAAMMDNYRSFA-AWEZNQCLSA-N 2 2 297.443 0.897 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+]([C@H]2CCCN(C)C2=O)CC1 ZINC000515069949 249119840 /nfs/dbraw/zinc/11/98/40/249119840.db2.gz UFQNBBLMEXIRAB-ZDUSSCGKSA-N 2 2 283.416 0.432 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)n1C ZINC000514598435 249092144 /nfs/dbraw/zinc/09/21/44/249092144.db2.gz UISCILGLUHYZDA-DGCLKSJQSA-N 2 2 282.388 0.363 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCc2ccncc2)C[C@H](C)O1 ZINC000516174708 249153294 /nfs/dbraw/zinc/15/32/94/249153294.db2.gz PLSBLWKJIMKPNR-LZWOXQAQSA-N 2 2 293.411 0.684 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCc2ccncc2)C[C@H](C)O1 ZINC000516174708 249153297 /nfs/dbraw/zinc/15/32/97/249153297.db2.gz PLSBLWKJIMKPNR-LZWOXQAQSA-N 2 2 293.411 0.684 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C)[NH+]1CC(C)C1 ZINC000515356530 249130572 /nfs/dbraw/zinc/13/05/72/249130572.db2.gz XTPCWBCBEXTXDM-HZSPNIEDSA-N 2 2 283.416 0.240 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C)[NH+]1CC(C)C1 ZINC000515356530 249130574 /nfs/dbraw/zinc/13/05/74/249130574.db2.gz XTPCWBCBEXTXDM-HZSPNIEDSA-N 2 2 283.416 0.240 20 0 CCADLP CCOCC[C@@H](O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000516978053 249196352 /nfs/dbraw/zinc/19/63/52/249196352.db2.gz YYTSTKMUOQOFHV-QWHCGFSZSA-N 2 2 267.373 0.997 20 0 CCADLP CCOCC[C@@H](O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000516978053 249196355 /nfs/dbraw/zinc/19/63/55/249196355.db2.gz YYTSTKMUOQOFHV-QWHCGFSZSA-N 2 2 267.373 0.997 20 0 CCADLP [NH3+]CC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000423909409 295217454 /nfs/dbraw/zinc/21/74/54/295217454.db2.gz DKPBDVKBDDQWAM-UWVGGRQHSA-N 2 2 271.361 0.735 20 0 CCADLP [NH3+]CC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000423909409 295217455 /nfs/dbraw/zinc/21/74/55/295217455.db2.gz DKPBDVKBDDQWAM-UWVGGRQHSA-N 2 2 271.361 0.735 20 0 CCADLP C[C@H](NC(=O)N1CCn2c[nH+]cc2C1)[C@H]1C[N@H+](C)CCO1 ZINC000642703537 377610043 /nfs/dbraw/zinc/61/00/43/377610043.db2.gz HUBZZTRJZJSZFZ-WCQYABFASA-N 2 2 293.371 0.127 20 0 CCADLP C[C@H](NC(=O)N1CCn2c[nH+]cc2C1)[C@H]1C[N@@H+](C)CCO1 ZINC000642703537 377610047 /nfs/dbraw/zinc/61/00/47/377610047.db2.gz HUBZZTRJZJSZFZ-WCQYABFASA-N 2 2 293.371 0.127 20 0 CCADLP [NH3+][C@H]1CCCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C1 ZINC000642986905 377680381 /nfs/dbraw/zinc/68/03/81/377680381.db2.gz ODVRQHXGNFQJIQ-QWHCGFSZSA-N 2 2 291.399 0.755 20 0 CCADLP CCc1cc(NC2C[NH2+]C2)nc(-c2ccncc2)[nH+]1 ZINC000643006026 377686178 /nfs/dbraw/zinc/68/61/78/377686178.db2.gz GJLVCPGTPGWSOP-UHFFFAOYSA-N 2 2 255.325 0.907 20 0 CCADLP CCN(C)S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000657070951 412882935 /nfs/dbraw/zinc/88/29/35/412882935.db2.gz BTCSEFFLNULSND-LBPRGKRZSA-N 2 2 294.465 0.045 20 0 CCADLP CCN(C)S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000657070951 412882938 /nfs/dbraw/zinc/88/29/38/412882938.db2.gz BTCSEFFLNULSND-LBPRGKRZSA-N 2 2 294.465 0.045 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)CC1CC1 ZINC000657091681 412886975 /nfs/dbraw/zinc/88/69/75/412886975.db2.gz OLHZAWHNEOJRTK-UHFFFAOYSA-N 2 2 277.434 0.199 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)CC1CC1 ZINC000657091681 412886977 /nfs/dbraw/zinc/88/69/77/412886977.db2.gz OLHZAWHNEOJRTK-UHFFFAOYSA-N 2 2 277.434 0.199 20 0 CCADLP CC[N@@H+]1CCCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000266287393 190245999 /nfs/dbraw/zinc/24/59/99/190245999.db2.gz IMLWOTIRZKJLPX-UHFFFAOYSA-N 2 2 265.361 0.620 20 0 CCADLP CC[N@H+]1CCCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000266287393 190246000 /nfs/dbraw/zinc/24/60/00/190246000.db2.gz IMLWOTIRZKJLPX-UHFFFAOYSA-N 2 2 265.361 0.620 20 0 CCADLP CC[N@H+](C)CC[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000278627566 194074032 /nfs/dbraw/zinc/07/40/32/194074032.db2.gz GOHYUMZYWRUFGM-UHFFFAOYSA-N 2 2 275.352 0.824 20 0 CCADLP CC[N@@H+](C)CC[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000278627566 194074033 /nfs/dbraw/zinc/07/40/33/194074033.db2.gz GOHYUMZYWRUFGM-UHFFFAOYSA-N 2 2 275.352 0.824 20 0 CCADLP CCCCNC(=O)[C@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266917174 190290471 /nfs/dbraw/zinc/29/04/71/190290471.db2.gz LAPNWTAJVZQFQH-ZDUSSCGKSA-N 2 2 293.415 0.847 20 0 CCADLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N1CCOCC1 ZINC000267392757 190326738 /nfs/dbraw/zinc/32/67/38/190326738.db2.gz DILMRNRAFAGWEI-LBPRGKRZSA-N 2 2 278.356 0.448 20 0 CCADLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N1CCOCC1 ZINC000267392757 190326739 /nfs/dbraw/zinc/32/67/39/190326739.db2.gz DILMRNRAFAGWEI-LBPRGKRZSA-N 2 2 278.356 0.448 20 0 CCADLP COCCCNC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000267497307 190334408 /nfs/dbraw/zinc/33/44/08/190334408.db2.gz RHNJYYVUOPAMIZ-UHFFFAOYSA-N 2 2 280.372 0.673 20 0 CCADLP CCO[C@H](CC[NH+](C)C)CNC(=O)CCn1cc[nH+]c1 ZINC000267996340 190368155 /nfs/dbraw/zinc/36/81/55/190368155.db2.gz RDTKLMZMSBYSQB-CYBMUJFWSA-N 2 2 282.388 0.746 20 0 CCADLP O=C(N[C@@H]1CCC[NH2+]C1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000570330642 291749286 /nfs/dbraw/zinc/74/92/86/291749286.db2.gz BPVITGSZQKKFLT-SNVBAGLBSA-N 2 2 272.312 0.144 20 0 CCADLP C[NH+](C)CCn1ccc(C(=O)NCCn2cc[nH+]c2)n1 ZINC000570408627 291755031 /nfs/dbraw/zinc/75/50/31/291755031.db2.gz FNIZYTASLMGLSE-UHFFFAOYSA-N 2 2 276.344 0.071 20 0 CCADLP O=C1NCCC[C@@H]1[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000334768751 207042465 /nfs/dbraw/zinc/04/24/65/207042465.db2.gz AMBDHGJMGBPPJN-STQMWFEESA-N 2 2 251.374 0.683 20 0 CCADLP O=C1NCCC[C@@H]1[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000334768751 207042469 /nfs/dbraw/zinc/04/24/69/207042469.db2.gz AMBDHGJMGBPPJN-STQMWFEESA-N 2 2 251.374 0.683 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CCn1cc[nH+]c1 ZINC000279355155 194397931 /nfs/dbraw/zinc/39/79/31/194397931.db2.gz RFOGGVCYVBGAOU-CYBMUJFWSA-N 2 2 280.372 0.452 20 0 CCADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]([NH3+])c1cscn1 ZINC000570568831 291765310 /nfs/dbraw/zinc/76/53/10/291765310.db2.gz NQLBGALORGJWQI-KOLCDFICSA-N 2 2 270.402 0.975 20 0 CCADLP [NH3+][C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1cscn1 ZINC000570675204 291773472 /nfs/dbraw/zinc/77/34/72/291773472.db2.gz WCNDUBPCCIAUQD-WCABBAIRSA-N 2 2 266.370 0.496 20 0 CCADLP O=C(NCC[NH2+]Cc1c[nH+]c2n1CCC2)c1ccco1 ZINC000657299474 412952131 /nfs/dbraw/zinc/95/21/31/412952131.db2.gz WPUSRXBQGGDILY-UHFFFAOYSA-N 2 2 274.324 0.942 20 0 CCADLP CCNC(=O)[C@@H](C)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657293161 412953108 /nfs/dbraw/zinc/95/31/08/412953108.db2.gz UPHOSLKZQTZDFC-LLVKDONJSA-N 2 2 273.340 0.882 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)CC(F)(F)C[NH3+] ZINC000574766241 335046131 /nfs/dbraw/zinc/04/61/31/335046131.db2.gz FYOISVWHMPIBDI-UHFFFAOYSA-N 2 2 260.288 0.716 20 0 CCADLP [NH3+][C@@H](C(=O)N1CCC[C@H]([NH3+])C1)c1c(F)cccc1F ZINC000334967609 207383786 /nfs/dbraw/zinc/38/37/86/207383786.db2.gz OUORZXRXNQQCHG-QPUJVOFHSA-N 2 2 269.295 0.914 20 0 CCADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CS(C)(=O)=O)C1 ZINC000246037048 285001046 /nfs/dbraw/zinc/00/10/46/285001046.db2.gz NACZPLKSCFHEES-VXGBXAGGSA-N 2 2 262.419 0.741 20 0 CCADLP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)CS(C)(=O)=O)C1 ZINC000246037048 285001047 /nfs/dbraw/zinc/00/10/47/285001047.db2.gz NACZPLKSCFHEES-VXGBXAGGSA-N 2 2 262.419 0.741 20 0 CCADLP C[C@H](CS(C)(=O)=O)[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246054041 285001728 /nfs/dbraw/zinc/00/17/28/285001728.db2.gz QAHDUCGSAJRVJK-IJLUTSLNSA-N 2 2 262.419 0.882 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCCCOC)[C@@H](C)C1 ZINC000246845438 285034098 /nfs/dbraw/zinc/03/40/98/285034098.db2.gz OWUWBLMJCRLCOP-UONOGXRCSA-N 2 2 285.432 0.801 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCCCOC)[C@@H](C)C1 ZINC000246845438 285034101 /nfs/dbraw/zinc/03/41/01/285034101.db2.gz OWUWBLMJCRLCOP-UONOGXRCSA-N 2 2 285.432 0.801 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCCCOC)[C@@H](C)C1 ZINC000246845438 285034108 /nfs/dbraw/zinc/03/41/08/285034108.db2.gz OWUWBLMJCRLCOP-UONOGXRCSA-N 2 2 285.432 0.801 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCCCOC)[C@@H](C)C1 ZINC000246845438 285034110 /nfs/dbraw/zinc/03/41/10/285034110.db2.gz OWUWBLMJCRLCOP-UONOGXRCSA-N 2 2 285.432 0.801 20 0 CCADLP [NH3+][C@@H](C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cscn1 ZINC000571679998 291831172 /nfs/dbraw/zinc/83/11/72/291831172.db2.gz ZMNWDJJPSZVBRA-HOSYDEDBSA-N 2 2 280.397 0.647 20 0 CCADLP CCc1nncn1CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657380058 412978347 /nfs/dbraw/zinc/97/83/47/412978347.db2.gz GFGBXWLTUPMBFL-UHFFFAOYSA-N 2 2 260.345 0.773 20 0 CCADLP OCC1([NH2+]CC2CC2)CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000572165257 291862055 /nfs/dbraw/zinc/86/20/55/291862055.db2.gz PFBZJUMHLXPADV-UHFFFAOYSA-N 2 2 264.373 0.736 20 0 CCADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CC[C@@H](C(=O)N(C)C)O2)n1C ZINC000657426496 412989543 /nfs/dbraw/zinc/98/95/43/412989543.db2.gz GJFGNUAEZCRDTE-OLZOCXBDSA-N 2 2 280.372 0.454 20 0 CCADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000289299205 197287893 /nfs/dbraw/zinc/28/78/93/197287893.db2.gz IAEHSFITZDMVKF-RYUDHWBXSA-N 2 2 290.367 0.489 20 0 CCADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC000289299205 197287895 /nfs/dbraw/zinc/28/78/95/197287895.db2.gz IAEHSFITZDMVKF-RYUDHWBXSA-N 2 2 290.367 0.489 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000574816377 335049882 /nfs/dbraw/zinc/04/98/82/335049882.db2.gz KCNBBYNPMBBENE-AAEUAGOBSA-N 2 2 267.377 0.263 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000574816377 335049883 /nfs/dbraw/zinc/04/98/83/335049883.db2.gz KCNBBYNPMBBENE-AAEUAGOBSA-N 2 2 267.377 0.263 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000574816377 335049885 /nfs/dbraw/zinc/04/98/85/335049885.db2.gz KCNBBYNPMBBENE-AAEUAGOBSA-N 2 2 267.377 0.263 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000574816377 335049886 /nfs/dbraw/zinc/04/98/86/335049886.db2.gz KCNBBYNPMBBENE-AAEUAGOBSA-N 2 2 267.377 0.263 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000574816377 335049887 /nfs/dbraw/zinc/04/98/87/335049887.db2.gz KCNBBYNPMBBENE-AAEUAGOBSA-N 2 2 267.377 0.263 20 0 CCADLP Cc1noc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)n1 ZINC000572364815 291874833 /nfs/dbraw/zinc/87/48/33/291874833.db2.gz SLVGPVZWJGQWGN-YPMHNXCESA-N 2 2 266.345 0.706 20 0 CCADLP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)c(OC)c1 ZINC000258896838 285153883 /nfs/dbraw/zinc/15/38/83/285153883.db2.gz KPFXKOTYJIKVIJ-ZDUSSCGKSA-N 2 2 266.341 0.782 20 0 CCADLP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000305171045 285169971 /nfs/dbraw/zinc/16/99/71/285169971.db2.gz ZSWVCGPFDAWTMT-JSGCOSHPSA-N 2 2 278.400 0.844 20 0 CCADLP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000305171053 285169979 /nfs/dbraw/zinc/16/99/79/285169979.db2.gz ZSWVCGPFDAWTMT-TZMCWYRMSA-N 2 2 278.400 0.844 20 0 CCADLP c1[nH+]c2n(c1C[NH2+][C@H]1CCc3nnnn3CC1)CCC2 ZINC000657493600 413007266 /nfs/dbraw/zinc/00/72/66/413007266.db2.gz GWVBORASIQNPDC-JTQLQIEISA-N 2 2 273.344 0.311 20 0 CCADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000333631189 533191404 /nfs/dbraw/zinc/19/14/04/533191404.db2.gz AWQJIAYBUARLMV-KBPBESRZSA-N 2 2 283.416 0.683 20 0 CCADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000333631189 533191409 /nfs/dbraw/zinc/19/14/09/533191409.db2.gz AWQJIAYBUARLMV-KBPBESRZSA-N 2 2 283.416 0.683 20 0 CCADLP CO[C@H](C[NH2+]Cc1c[nH+]c(N(C)C)n1C)[C@@H]1CCOC1 ZINC000657540525 413021849 /nfs/dbraw/zinc/02/18/49/413021849.db2.gz HXFNSAMJUYCZTK-DGCLKSJQSA-N 2 2 282.388 0.627 20 0 CCADLP Cn1ncc2c1nc[nH+]c2NCCC[NH+]1CCC(O)CC1 ZINC000171131518 335056275 /nfs/dbraw/zinc/05/62/75/335056275.db2.gz RBYGCVDRUUSPEQ-UHFFFAOYSA-N 2 2 290.371 0.622 20 0 CCADLP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ncc[nH]1 ZINC000286050805 388830414 /nfs/dbraw/zinc/83/04/14/388830414.db2.gz KZEVXHUJKRHDGU-NSHDSACASA-N 2 2 265.361 0.224 20 0 CCADLP CCOC(=O)c1nn(C)cc1C[NH2+]CCCn1cc[nH+]c1 ZINC000186294840 388831317 /nfs/dbraw/zinc/83/13/17/388831317.db2.gz FXAWAYKKMSOWMQ-UHFFFAOYSA-N 2 2 291.355 0.973 20 0 CCADLP O=C(NCC1=CC[NH2+]CC1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000186274792 388831601 /nfs/dbraw/zinc/83/16/01/388831601.db2.gz VCCCMHPMXPENDO-UHFFFAOYSA-N 2 2 283.335 0.917 20 0 CCADLP C[NH2+]CCCC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000037800375 388847288 /nfs/dbraw/zinc/84/72/88/388847288.db2.gz GRYASTUHOGTZDR-UHFFFAOYSA-N 2 2 276.384 0.725 20 0 CCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CCC[NH2+]C1 ZINC000289725658 388885909 /nfs/dbraw/zinc/88/59/09/388885909.db2.gz GJXBHLRTOUMZSA-CHWSQXEVSA-N 2 2 274.368 0.776 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]Cc1cc(OC)c(O)c(OC)c1 ZINC000289832040 388896578 /nfs/dbraw/zinc/89/65/78/388896578.db2.gz UMCFDKHPHREETE-UHFFFAOYSA-N 2 2 298.383 0.813 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]Cc1cc(OC)c(O)c(OC)c1 ZINC000289832040 388896579 /nfs/dbraw/zinc/89/65/79/388896579.db2.gz UMCFDKHPHREETE-UHFFFAOYSA-N 2 2 298.383 0.813 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000291042425 388916536 /nfs/dbraw/zinc/91/65/36/388916536.db2.gz OEPUAGMQKTWZEN-FZMZJTMJSA-N 2 2 289.383 0.891 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000291042425 388916539 /nfs/dbraw/zinc/91/65/39/388916539.db2.gz OEPUAGMQKTWZEN-FZMZJTMJSA-N 2 2 289.383 0.891 20 0 CCADLP CC[NH+](CC)CCCNC(=O)NCc1c[nH+]cn1C ZINC000292303059 388947191 /nfs/dbraw/zinc/94/71/91/388947191.db2.gz HUTPPRIWYJNXNP-UHFFFAOYSA-N 2 2 267.377 0.951 20 0 CCADLP COCCN(CC[NH+](C)C)C(=O)NCc1c[nH+]cn1C ZINC000292402858 388949780 /nfs/dbraw/zinc/94/97/80/388949780.db2.gz RXBOZLLKQFABJL-UHFFFAOYSA-N 2 2 283.376 0.140 20 0 CCADLP C[C@@H]1CN(CCn2cc[nH+]c2)CC[N@@H+]1CC(C)(C)O ZINC000189928464 388978035 /nfs/dbraw/zinc/97/80/35/388978035.db2.gz UDCRMPFTGLICCA-CYBMUJFWSA-N 2 2 266.389 0.660 20 0 CCADLP C[C@@H]1CN(CCn2cc[nH+]c2)CC[N@H+]1CC(C)(C)O ZINC000189928464 388978038 /nfs/dbraw/zinc/97/80/38/388978038.db2.gz UDCRMPFTGLICCA-CYBMUJFWSA-N 2 2 266.389 0.660 20 0 CCADLP Cc1cnccc1C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000295242203 388996645 /nfs/dbraw/zinc/99/66/45/388996645.db2.gz SVGQYHRXNJPSFI-CQSZACIVSA-N 2 2 276.384 0.819 20 0 CCADLP Cc1cnccc1C[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000295242203 388996649 /nfs/dbraw/zinc/99/66/49/388996649.db2.gz SVGQYHRXNJPSFI-CQSZACIVSA-N 2 2 276.384 0.819 20 0 CCADLP CCCN1CCC[N@H+](CCc2c[nH+]cn2C)CC1=O ZINC000298568174 389030943 /nfs/dbraw/zinc/03/09/43/389030943.db2.gz WUTHXCPFYYMFIQ-UHFFFAOYSA-N 2 2 264.373 0.907 20 0 CCADLP CCCN1CCC[N@@H+](CCc2c[nH+]cn2C)CC1=O ZINC000298568174 389030944 /nfs/dbraw/zinc/03/09/44/389030944.db2.gz WUTHXCPFYYMFIQ-UHFFFAOYSA-N 2 2 264.373 0.907 20 0 CCADLP CN(CC[NH+]1CCOCC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000336717375 389016568 /nfs/dbraw/zinc/01/65/68/389016568.db2.gz SXKVSXFKJRRGLM-AWEZNQCLSA-N 2 2 253.390 0.487 20 0 CCADLP CN(CC[NH+]1CCOCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000336717375 389016574 /nfs/dbraw/zinc/01/65/74/389016574.db2.gz SXKVSXFKJRRGLM-AWEZNQCLSA-N 2 2 253.390 0.487 20 0 CCADLP Cc1cc(N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)nc[nH+]1 ZINC000301380959 389050747 /nfs/dbraw/zinc/05/07/47/389050747.db2.gz ZDKSKHVORPGRDB-UHFFFAOYSA-N 2 2 299.382 0.968 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(CCn2cc[nH+]c2)[C@H](C)C1 ZINC000192806228 389055334 /nfs/dbraw/zinc/05/53/34/389055334.db2.gz PSWWJJUBCICVLR-CHWSQXEVSA-N 2 2 252.362 0.270 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(CCn2cc[nH+]c2)[C@H](C)C1 ZINC000192806228 389055335 /nfs/dbraw/zinc/05/53/35/389055335.db2.gz PSWWJJUBCICVLR-CHWSQXEVSA-N 2 2 252.362 0.270 20 0 CCADLP C[NH+](C)CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000193557911 389073031 /nfs/dbraw/zinc/07/30/31/389073031.db2.gz YJTSYAGJEKHOCK-UHFFFAOYSA-N 2 2 291.395 0.697 20 0 CCADLP C[NH+]1CCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000298626927 389035693 /nfs/dbraw/zinc/03/56/93/389035693.db2.gz ZNMAPBQXHOAPIU-UHFFFAOYSA-N 2 2 251.334 0.230 20 0 CCADLP CC(C)C[C@@H](C[NH2+][C@@H]1CC[NH2+]C1)N1CCOCC1 ZINC000094075142 389038979 /nfs/dbraw/zinc/03/89/79/389038979.db2.gz XHIMOUFVBFGASN-KGLIPLIRSA-N 2 2 255.406 0.685 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000358254056 389145497 /nfs/dbraw/zinc/14/54/97/389145497.db2.gz PKIGRNMEHBUWEP-INIZCTEOSA-N 3 2 290.411 0.707 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000358254056 389145503 /nfs/dbraw/zinc/14/55/03/389145503.db2.gz PKIGRNMEHBUWEP-INIZCTEOSA-N 3 2 290.411 0.707 20 0 CCADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000338272706 389102721 /nfs/dbraw/zinc/10/27/21/389102721.db2.gz DIMDSSKTWVBEGX-CYBMUJFWSA-N 2 2 291.461 0.732 20 0 CCADLP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000338272706 389102724 /nfs/dbraw/zinc/10/27/24/389102724.db2.gz DIMDSSKTWVBEGX-CYBMUJFWSA-N 2 2 291.461 0.732 20 0 CCADLP COc1ccc(/C=C\C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000313137769 389110935 /nfs/dbraw/zinc/11/09/35/389110935.db2.gz CIDFWYYHTQACCW-BMWLXYDHSA-N 2 2 289.379 0.810 20 0 CCADLP COc1ccc(/C=C\C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000313137769 389110940 /nfs/dbraw/zinc/11/09/40/389110940.db2.gz CIDFWYYHTQACCW-BMWLXYDHSA-N 2 2 289.379 0.810 20 0 CCADLP C[C@@H](C[N@H+](C)C[C@@H]1CCC[NH+](C)C1)CS(C)(=O)=O ZINC000119226593 389138279 /nfs/dbraw/zinc/13/82/79/389138279.db2.gz CEYSJVVOBYNZAJ-QWHCGFSZSA-N 2 2 276.446 0.941 20 0 CCADLP C[C@@H](C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)CS(C)(=O)=O ZINC000119226593 389138282 /nfs/dbraw/zinc/13/82/82/389138282.db2.gz CEYSJVVOBYNZAJ-QWHCGFSZSA-N 2 2 276.446 0.941 20 0 CCADLP C[C@@H](C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)CS(C)(=O)=O ZINC000119226593 389138284 /nfs/dbraw/zinc/13/82/84/389138284.db2.gz CEYSJVVOBYNZAJ-QWHCGFSZSA-N 2 2 276.446 0.941 20 0 CCADLP C[C@@H](C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)CS(C)(=O)=O ZINC000119226593 389138285 /nfs/dbraw/zinc/13/82/85/389138285.db2.gz CEYSJVVOBYNZAJ-QWHCGFSZSA-N 2 2 276.446 0.941 20 0 CCADLP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)[C@H]1C[NH2+]CCO1 ZINC000237834844 389195678 /nfs/dbraw/zinc/19/56/78/389195678.db2.gz DZQVQOJHBMNNNE-LLVKDONJSA-N 2 2 294.742 0.592 20 0 CCADLP Cc1ncc(C[NH2+]CCC[NH+]2CCC(O)CC2)cn1 ZINC000340458184 389160083 /nfs/dbraw/zinc/16/00/83/389160083.db2.gz CMBXWHFDHGNPER-UHFFFAOYSA-N 2 2 264.373 0.721 20 0 CCADLP C[C@@H](CN1CCOCC1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000340911246 389165700 /nfs/dbraw/zinc/16/57/00/389165700.db2.gz LGQYSPYYRZPLOD-AWEZNQCLSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H](CN1CCOCC1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000340911246 389165704 /nfs/dbraw/zinc/16/57/04/389165704.db2.gz LGQYSPYYRZPLOD-AWEZNQCLSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H](O)C[N@H+](C)C1CC[NH+]([C@H](C)CN2CCOCC2)CC1 ZINC000340922105 389167737 /nfs/dbraw/zinc/16/77/37/389167737.db2.gz OSRAEUFEYBCMEM-HUUCEWRRSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+]([C@H](C)CN2CCOCC2)CC1 ZINC000340922105 389167738 /nfs/dbraw/zinc/16/77/38/389167738.db2.gz OSRAEUFEYBCMEM-HUUCEWRRSA-N 2 2 299.459 0.484 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359297717 389170323 /nfs/dbraw/zinc/17/03/23/389170323.db2.gz DOBATXNDCSOASK-QJPTWQEYSA-N 2 2 282.388 0.008 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CC[NH2+]CC1(F)F)Cn1cc[nH+]c1 ZINC000342691327 389242393 /nfs/dbraw/zinc/24/23/93/389242393.db2.gz HDXUPXRVRHVIAG-GHMZBOCLSA-N 2 2 286.326 0.880 20 0 CCADLP C[NH+]1CCC(CNC(=O)CC(N)=O)([NH+]2CCCCC2)CC1 ZINC000330949121 389261000 /nfs/dbraw/zinc/26/10/00/389261000.db2.gz JCZQLCKHAZIYJG-UHFFFAOYSA-N 2 2 296.415 0.978 20 0 CCADLP CO[C@H](C)[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000361219246 389210147 /nfs/dbraw/zinc/21/01/47/389210147.db2.gz BZZCPTPFTSURHE-TUAOUCFPSA-N 2 2 257.378 0.339 20 0 CCADLP CO[C@H](C)[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000361219246 389210150 /nfs/dbraw/zinc/21/01/50/389210150.db2.gz BZZCPTPFTSURHE-TUAOUCFPSA-N 2 2 257.378 0.339 20 0 CCADLP C[C@H](O)C[N@H+](C)C1CC[NH+]([C@@H]2CCN(C3CC3)C2=O)CC1 ZINC000361400932 389215072 /nfs/dbraw/zinc/21/50/72/389215072.db2.gz TWEKCLFQDAFJGG-SWLSCSKDSA-N 2 2 295.427 0.527 20 0 CCADLP C[C@H](O)C[N@@H+](C)C1CC[NH+]([C@@H]2CCN(C3CC3)C2=O)CC1 ZINC000361400932 389215075 /nfs/dbraw/zinc/21/50/75/389215075.db2.gz TWEKCLFQDAFJGG-SWLSCSKDSA-N 2 2 295.427 0.527 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246200998 389225109 /nfs/dbraw/zinc/22/51/09/389225109.db2.gz VZXHTMWMNMYPKS-NEPJUHHUSA-N 2 2 284.404 0.494 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246200998 389225113 /nfs/dbraw/zinc/22/51/13/389225113.db2.gz VZXHTMWMNMYPKS-NEPJUHHUSA-N 2 2 284.404 0.494 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246200998 389225117 /nfs/dbraw/zinc/22/51/17/389225117.db2.gz VZXHTMWMNMYPKS-NEPJUHHUSA-N 2 2 284.404 0.494 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246200998 389225119 /nfs/dbraw/zinc/22/51/19/389225119.db2.gz VZXHTMWMNMYPKS-NEPJUHHUSA-N 2 2 284.404 0.494 20 0 CCADLP COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1CCn1cc[nH+]c1C ZINC000346325803 389326573 /nfs/dbraw/zinc/32/65/73/389326573.db2.gz MDVXWEAAWSCARV-VXGBXAGGSA-N 2 2 267.329 0.454 20 0 CCADLP COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1CCn1cc[nH+]c1C ZINC000346325803 389326577 /nfs/dbraw/zinc/32/65/77/389326577.db2.gz MDVXWEAAWSCARV-VXGBXAGGSA-N 2 2 267.329 0.454 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCNC(=O)c2cnccn2)C1 ZINC000343916574 389276280 /nfs/dbraw/zinc/27/62/80/389276280.db2.gz QIVDGNMOTWHDTP-YPMHNXCESA-N 2 2 277.372 0.136 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCNC(=O)c2cnccn2)C1 ZINC000343916574 389276284 /nfs/dbraw/zinc/27/62/84/389276284.db2.gz QIVDGNMOTWHDTP-YPMHNXCESA-N 2 2 277.372 0.136 20 0 CCADLP CC[C@@H]1C(=O)N(CC)CC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261821257 389277282 /nfs/dbraw/zinc/27/72/82/389277282.db2.gz IJRDPSFRTSKARG-CHWSQXEVSA-N 2 2 253.390 0.929 20 0 CCADLP CC[C@@H]1C(=O)N(CC)CC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261821257 389277284 /nfs/dbraw/zinc/27/72/84/389277284.db2.gz IJRDPSFRTSKARG-CHWSQXEVSA-N 2 2 253.390 0.929 20 0 CCADLP CN(C(=O)C(C)(C)O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365257450 389278792 /nfs/dbraw/zinc/27/87/92/389278792.db2.gz SMNMWYCXUDPGIO-ZDUSSCGKSA-N 2 2 283.416 0.384 20 0 CCADLP CN(C(=O)C(C)(C)O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365257450 389278795 /nfs/dbraw/zinc/27/87/95/389278795.db2.gz SMNMWYCXUDPGIO-ZDUSSCGKSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@H]1[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CCC[N@@H+]1C ZINC000345294184 389299824 /nfs/dbraw/zinc/29/98/24/389299824.db2.gz BMGCCHADYHEWOL-JQWIXIFHSA-N 2 2 280.372 0.949 20 0 CCADLP C[C@H]1[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CCC[N@H+]1C ZINC000345294184 389299827 /nfs/dbraw/zinc/29/98/27/389299827.db2.gz BMGCCHADYHEWOL-JQWIXIFHSA-N 2 2 280.372 0.949 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000331541647 389307829 /nfs/dbraw/zinc/30/78/29/389307829.db2.gz FCQHWXPPIBSZSQ-FZMZJTMJSA-N 2 2 282.388 0.296 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000331541647 389307834 /nfs/dbraw/zinc/30/78/34/389307834.db2.gz FCQHWXPPIBSZSQ-FZMZJTMJSA-N 2 2 282.388 0.296 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C2CCOCC2)CC1 ZINC000348951963 389398048 /nfs/dbraw/zinc/39/80/48/389398048.db2.gz UBKOMSYGVIJGHQ-OAHLLOKOSA-N 2 2 295.427 0.651 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C2CCOCC2)CC1 ZINC000348951963 389398050 /nfs/dbraw/zinc/39/80/50/389398050.db2.gz UBKOMSYGVIJGHQ-OAHLLOKOSA-N 2 2 295.427 0.651 20 0 CCADLP C[NH+](C)[C@H]1CCCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000332991390 389400549 /nfs/dbraw/zinc/40/05/49/389400549.db2.gz FHMOQLTUZWUCCS-OLZOCXBDSA-N 2 2 291.399 0.934 20 0 CCADLP CN(C(=O)c1cn[nH]c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370837618 389418717 /nfs/dbraw/zinc/41/87/17/389418717.db2.gz IAWZCGGDNHZVOT-AWEZNQCLSA-N 2 2 291.399 0.650 20 0 CCADLP CN(C(=O)c1cn[nH]c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370837618 389418721 /nfs/dbraw/zinc/41/87/21/389418721.db2.gz IAWZCGGDNHZVOT-AWEZNQCLSA-N 2 2 291.399 0.650 20 0 CCADLP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C1CC[NH+](C)CC1 ZINC000349376183 389413407 /nfs/dbraw/zinc/41/34/07/389413407.db2.gz FGIIRCZNMBTAMS-AWEZNQCLSA-N 3 2 268.449 0.696 20 0 CCADLP C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000333529257 389419024 /nfs/dbraw/zinc/41/90/24/389419024.db2.gz XUAKSVBPRFRJOY-GXSJLCMTSA-N 2 2 265.361 0.100 20 0 CCADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NC[C@@H]3CCCO3)CC[C@@H]21 ZINC000158740966 389350549 /nfs/dbraw/zinc/35/05/49/389350549.db2.gz MGLNMODGNLILPC-ILXRZTDVSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NC[C@@H]3CCCO3)CC[C@@H]21 ZINC000158740966 389350554 /nfs/dbraw/zinc/35/05/54/389350554.db2.gz MGLNMODGNLILPC-ILXRZTDVSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NC[C@@H]3CCCO3)CC[C@@H]21 ZINC000158740966 389350558 /nfs/dbraw/zinc/35/05/58/389350558.db2.gz MGLNMODGNLILPC-ILXRZTDVSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NC[C@@H]3CCCO3)CC[C@@H]21 ZINC000158740966 389350563 /nfs/dbraw/zinc/35/05/63/389350563.db2.gz MGLNMODGNLILPC-ILXRZTDVSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCOCC1(C)C ZINC000332577521 389355297 /nfs/dbraw/zinc/35/52/97/389355297.db2.gz ZRDSGFBDCNDEEH-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP C[N@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCOCC1(C)C ZINC000332577521 389355299 /nfs/dbraw/zinc/35/52/99/389355299.db2.gz ZRDSGFBDCNDEEH-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+]1CCC[C@@H]1CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000332577521 389355305 /nfs/dbraw/zinc/35/53/05/389355305.db2.gz ZRDSGFBDCNDEEH-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+]1CCC[C@@H]1CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000332577521 389355309 /nfs/dbraw/zinc/35/53/09/389355309.db2.gz ZRDSGFBDCNDEEH-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CC(C)[C@@H](C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1)[C@H](C)[NH3+] ZINC000332708952 389358693 /nfs/dbraw/zinc/35/86/93/389358693.db2.gz YBZGQGBEOOQQSJ-IGQOVBAYSA-N 2 2 283.416 0.537 20 0 CCADLP CC(C)[C@@H](C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1)[C@H](C)[NH3+] ZINC000332708952 389358695 /nfs/dbraw/zinc/35/86/95/389358695.db2.gz YBZGQGBEOOQQSJ-IGQOVBAYSA-N 2 2 283.416 0.537 20 0 CCADLP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000422745491 389465602 /nfs/dbraw/zinc/46/56/02/389465602.db2.gz VGUHAHIJLIHSDL-SOUVJXGZSA-N 3 2 268.449 0.743 20 0 CCADLP OC[C@H](C[NH2+][C@@H]1CC[NH2+]C1)Cc1ccc(F)cc1 ZINC000422754948 389467924 /nfs/dbraw/zinc/46/79/24/389467924.db2.gz HFWWRKQJBQLTPH-GXTWGEPZSA-N 2 2 252.333 0.928 20 0 CCADLP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000422860556 389494062 /nfs/dbraw/zinc/49/40/62/389494062.db2.gz LOPYQPIKKLBDGC-KKUMJFAQSA-N 3 2 268.449 0.743 20 0 CCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)C[NH+](C)[C@H]1CCSC1 ZINC000334514933 389494110 /nfs/dbraw/zinc/49/41/10/389494110.db2.gz MJOJWAIGSCVODC-NEPJUHHUSA-N 2 2 271.430 0.586 20 0 CCADLP C[C@@H]1C[NH+](C)CCN1C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000334514933 389494116 /nfs/dbraw/zinc/49/41/16/389494116.db2.gz MJOJWAIGSCVODC-NEPJUHHUSA-N 2 2 271.430 0.586 20 0 CCADLP C[C@@H]1C[NH+](C)CCN1C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000334514933 389494119 /nfs/dbraw/zinc/49/41/19/389494119.db2.gz MJOJWAIGSCVODC-NEPJUHHUSA-N 2 2 271.430 0.586 20 0 CCADLP C[C@@H]([NH2+]Cc1cccc(OCC(N)=O)c1)[C@H]1CCC[NH2+]1 ZINC000422789623 389476022 /nfs/dbraw/zinc/47/60/22/389476022.db2.gz OPVVNLNUTIQQOP-BXUZGUMPSA-N 2 2 277.368 0.781 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000422806084 389479595 /nfs/dbraw/zinc/47/95/95/389479595.db2.gz JYGBYJXVSBJBBA-ZIAGYGMSSA-N 2 2 283.416 0.603 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000422806084 389479599 /nfs/dbraw/zinc/47/95/99/389479599.db2.gz JYGBYJXVSBJBBA-ZIAGYGMSSA-N 2 2 283.416 0.603 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000422806468 389479645 /nfs/dbraw/zinc/47/96/45/389479645.db2.gz KWZAYZYQJVSSOS-KGLIPLIRSA-N 2 2 283.416 0.555 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000422806468 389479646 /nfs/dbraw/zinc/47/96/46/389479646.db2.gz KWZAYZYQJVSSOS-KGLIPLIRSA-N 2 2 283.416 0.555 20 0 CCADLP Cn1c[nH+]cc1CCc1nc([C@@H]2C[N@H+](C)CCN2C)no1 ZINC000350046285 389480323 /nfs/dbraw/zinc/48/03/23/389480323.db2.gz WGUMTNSCMPROAY-LBPRGKRZSA-N 2 2 290.371 0.507 20 0 CCADLP Cn1c[nH+]cc1CCc1nc([C@@H]2C[N@@H+](C)CCN2C)no1 ZINC000350046285 389480326 /nfs/dbraw/zinc/48/03/26/389480326.db2.gz WGUMTNSCMPROAY-LBPRGKRZSA-N 2 2 290.371 0.507 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000422825489 389484072 /nfs/dbraw/zinc/48/40/72/389484072.db2.gz PUQCQUNBMZZAEA-GJZGRUSLSA-N 2 2 297.443 0.993 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000422825489 389484077 /nfs/dbraw/zinc/48/40/77/389484077.db2.gz PUQCQUNBMZZAEA-GJZGRUSLSA-N 2 2 297.443 0.993 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000422864329 389494928 /nfs/dbraw/zinc/49/49/28/389494928.db2.gz UQTPIQBCDCXTHS-BPLDGKMQSA-N 2 2 295.427 0.887 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000422864329 389494931 /nfs/dbraw/zinc/49/49/31/389494931.db2.gz UQTPIQBCDCXTHS-BPLDGKMQSA-N 2 2 295.427 0.887 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000422839772 389488169 /nfs/dbraw/zinc/48/81/69/389488169.db2.gz RFVXZXHBKBHEFL-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000422839772 389488174 /nfs/dbraw/zinc/48/81/74/389488174.db2.gz RFVXZXHBKBHEFL-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@@H](C)C[NH+]1CCCCC1 ZINC000422838865 389488281 /nfs/dbraw/zinc/48/82/81/389488281.db2.gz YKPLUJIJMKOFFM-MELADBBJSA-N 2 2 283.416 0.744 20 0 CCADLP O=C(N[C@@H]1CCC[NH2+]C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000333628697 389437519 /nfs/dbraw/zinc/43/75/19/389437519.db2.gz GGVIJFRPQXCFAN-CYBMUJFWSA-N 2 2 289.383 0.665 20 0 CCADLP C[C@@H]1CN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)[C@H](C)C[NH2+]1 ZINC000333794866 389443940 /nfs/dbraw/zinc/44/39/40/389443940.db2.gz NBGSKUDZQZSJOE-MXWKQRLJSA-N 2 2 277.372 0.659 20 0 CCADLP C[C@@H]1CN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)[C@H](C)C[NH2+]1 ZINC000333794866 389443943 /nfs/dbraw/zinc/44/39/43/389443943.db2.gz NBGSKUDZQZSJOE-MXWKQRLJSA-N 2 2 277.372 0.659 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)[C@@H]2CCCC[NH2+]2)C[C@H]1C ZINC000168021080 389447829 /nfs/dbraw/zinc/44/78/29/389447829.db2.gz AURFQADJWJWAPU-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP COCC[N@H+]1CCN(C(=O)[C@@H]2CCCC[NH2+]2)C[C@H]1C ZINC000168021080 389447832 /nfs/dbraw/zinc/44/78/32/389447832.db2.gz AURFQADJWJWAPU-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H]1C[C@@H]1N1C[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1=O ZINC000422919522 389505675 /nfs/dbraw/zinc/50/56/75/389505675.db2.gz JWEFAHXJKDVHCC-FHUSYTEZSA-N 2 2 251.374 0.583 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)[C@H]1CCCC[NH2+]1 ZINC000422925272 389506904 /nfs/dbraw/zinc/50/69/04/389506904.db2.gz ZYHQPRLLJXHPKW-NQBHXWOUSA-N 2 2 251.374 0.870 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000351188548 389568668 /nfs/dbraw/zinc/56/86/68/389568668.db2.gz YCOOSDIXVVZZJQ-CHWSQXEVSA-N 2 2 289.445 0.484 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000351188548 389568671 /nfs/dbraw/zinc/56/86/71/389568671.db2.gz YCOOSDIXVVZZJQ-CHWSQXEVSA-N 2 2 289.445 0.484 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000351188548 389568675 /nfs/dbraw/zinc/56/86/75/389568675.db2.gz YCOOSDIXVVZZJQ-CHWSQXEVSA-N 2 2 289.445 0.484 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000351188548 389568677 /nfs/dbraw/zinc/56/86/77/389568677.db2.gz YCOOSDIXVVZZJQ-CHWSQXEVSA-N 2 2 289.445 0.484 20 0 CCADLP CCC[NH2+]CCNC(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422970504 389512365 /nfs/dbraw/zinc/51/23/65/389512365.db2.gz GLBUAUFOGNWDIU-UHFFFAOYSA-N 2 2 292.383 0.430 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(C)(C)O)C2)CC1 ZINC000373780493 389514790 /nfs/dbraw/zinc/51/47/90/389514790.db2.gz MISDKRCXUPYKPN-NSHDSACASA-N 2 2 269.389 0.042 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(C)(C)O)C2)CC1 ZINC000373780493 389514792 /nfs/dbraw/zinc/51/47/92/389514792.db2.gz MISDKRCXUPYKPN-NSHDSACASA-N 2 2 269.389 0.042 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000422976381 389515099 /nfs/dbraw/zinc/51/50/99/389515099.db2.gz IEJWCPMUVJXINS-OWCLPIDISA-N 3 2 299.459 0.436 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCOc1ncccc1F ZINC000422990847 389518237 /nfs/dbraw/zinc/51/82/37/389518237.db2.gz ACEIHZJQIUHNTR-NEPJUHHUSA-N 2 2 283.347 0.956 20 0 CCADLP CC(C)C(=O)NCCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423014235 389522489 /nfs/dbraw/zinc/52/24/89/389522489.db2.gz OMQZOEXOWLKKQH-KBPBESRZSA-N 2 2 283.416 0.505 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)[C@@H]1CCCC[NH2+]1 ZINC000423023033 389524206 /nfs/dbraw/zinc/52/42/06/389524206.db2.gz GOVDDWAVNUYVBR-CFVMTHIKSA-N 2 2 267.417 0.970 20 0 CCADLP CC[C@H](C(=O)N1CCC[C@H]1C[NH+]1CCOCC1)[NH+](C)C ZINC000413524918 389526482 /nfs/dbraw/zinc/52/64/82/389526482.db2.gz XNYWOZQYDYOKNW-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CCNC(=O)C1(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CCC1 ZINC000423081897 389531464 /nfs/dbraw/zinc/53/14/64/389531464.db2.gz VYGNXSDGRCOPLZ-ZIAGYGMSSA-N 2 2 295.427 0.649 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000423093023 389533924 /nfs/dbraw/zinc/53/39/24/389533924.db2.gz FHKHNPIVEPNEAL-PFSRBDOWSA-N 2 2 295.427 0.887 20 0 CCADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000423093023 389533930 /nfs/dbraw/zinc/53/39/30/389533930.db2.gz FHKHNPIVEPNEAL-PFSRBDOWSA-N 2 2 295.427 0.887 20 0 CCADLP C[C@H]([NH2+][C@H](CO)C[C@H](O)C(C)(C)C)[C@H]1CCC[NH2+]1 ZINC000423109707 389536097 /nfs/dbraw/zinc/53/60/97/389536097.db2.gz SXOOMVUTJKVJDF-RVMXOQNASA-N 2 2 258.406 0.875 20 0 CCADLP C[C@H](CCCO)C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423159120 389546180 /nfs/dbraw/zinc/54/61/80/389546180.db2.gz OUPPFSUCFDVYQS-MRVWCRGKSA-N 2 2 256.390 0.752 20 0 CCADLP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC000423197095 389551761 /nfs/dbraw/zinc/55/17/61/389551761.db2.gz XROZDTADOUMLEC-QWHCGFSZSA-N 3 2 283.416 0.649 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423260590 389557832 /nfs/dbraw/zinc/55/78/32/389557832.db2.gz HPVMXDOCUVSWFP-CMPLNLGQSA-N 2 2 262.419 0.917 20 0 CCADLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000423266620 389558578 /nfs/dbraw/zinc/55/85/78/389558578.db2.gz DPIRVFMZZUVWNX-GWCFXTLKSA-N 2 2 285.413 0.968 20 0 CCADLP COCC[NH2+]CC[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000423323324 389565373 /nfs/dbraw/zinc/56/53/73/389565373.db2.gz HCNMJVKQBTUORA-GFCCVEGCSA-N 2 2 290.371 0.549 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCC[N@H+](CC)C1CC1 ZINC000422883386 389498176 /nfs/dbraw/zinc/49/81/76/389498176.db2.gz UZXVFGLTMUAEJO-QWHCGFSZSA-N 2 2 269.389 0.354 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCC[N@@H+](CC)C1CC1 ZINC000422883386 389498181 /nfs/dbraw/zinc/49/81/81/389498181.db2.gz UZXVFGLTMUAEJO-QWHCGFSZSA-N 2 2 269.389 0.354 20 0 CCADLP CS(=O)(=O)[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000274221607 389500823 /nfs/dbraw/zinc/50/08/23/389500823.db2.gz VHJBBYCLZRJKOI-GFCCVEGCSA-N 2 2 271.386 0.782 20 0 CCADLP CS(=O)(=O)[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000274221607 389500830 /nfs/dbraw/zinc/50/08/30/389500830.db2.gz VHJBBYCLZRJKOI-GFCCVEGCSA-N 2 2 271.386 0.782 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N(C)CC(C)(C)C[NH3+] ZINC000422895355 389501454 /nfs/dbraw/zinc/50/14/54/389501454.db2.gz FQURGMSVSPSMJU-ZDUSSCGKSA-N 2 2 285.432 0.931 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N(C)CC(C)(C)C[NH3+] ZINC000422895355 389501459 /nfs/dbraw/zinc/50/14/59/389501459.db2.gz FQURGMSVSPSMJU-ZDUSSCGKSA-N 2 2 285.432 0.931 20 0 CCADLP O=C(NCC[N@H+]1CC=CCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000373621892 389502445 /nfs/dbraw/zinc/50/24/45/389502445.db2.gz HYMBKWWJSNVQAU-CYBMUJFWSA-N 2 2 274.368 0.824 20 0 CCADLP O=C(NCC[N@@H+]1CC=CCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000373621892 389502449 /nfs/dbraw/zinc/50/24/49/389502449.db2.gz HYMBKWWJSNVQAU-CYBMUJFWSA-N 2 2 274.368 0.824 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000423866153 389612342 /nfs/dbraw/zinc/61/23/42/389612342.db2.gz LCOYEDPMOGTIJC-UPJWGTAASA-N 2 2 293.415 0.609 20 0 CCADLP CC(C)[C@@H](C[NH3+])C(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000423878485 389613545 /nfs/dbraw/zinc/61/35/45/389613545.db2.gz URCYIISAJUBEHU-OLZOCXBDSA-N 2 2 293.415 0.466 20 0 CCADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1cccc2c1OCCO2 ZINC000414956639 389647716 /nfs/dbraw/zinc/64/77/16/389647716.db2.gz ATFMNVCSJHVHGU-ZDUSSCGKSA-N 2 2 277.368 0.451 20 0 CCADLP CNC(=O)CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000178858570 389625530 /nfs/dbraw/zinc/62/55/30/389625530.db2.gz ZFAGTFMWLLFZQT-UHFFFAOYSA-N 2 2 283.295 0.368 20 0 CCADLP Cn1cc[nH+]c1CN1CCN(CC[NH2+]C(C)(C)C)CC1 ZINC000414692268 389627636 /nfs/dbraw/zinc/62/76/36/389627636.db2.gz KPYZSDNDUCZQPN-UHFFFAOYSA-N 2 2 279.432 0.926 20 0 CCADLP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[NH+](C)CC2)cc1 ZINC000414699077 389628038 /nfs/dbraw/zinc/62/80/38/389628038.db2.gz DWGDPSTYSXZGCM-NSHDSACASA-N 2 2 290.367 0.419 20 0 CCADLP COc1cc(C[NH2+][C@@H](C)C[NH3+])cc2c1OCCO2 ZINC000414952857 389648086 /nfs/dbraw/zinc/64/80/86/389648086.db2.gz KZLRRAQYRRIANI-VIFPVBQESA-N 2 2 252.314 0.903 20 0 CCADLP CN(C(=O)c1ccnc(-n2cc[nH+]c2)c1)[C@@H]1CC[NH2+]C1 ZINC000179118296 389638358 /nfs/dbraw/zinc/63/83/58/389638358.db2.gz NRNLBJIGMGGKAM-GFCCVEGCSA-N 2 2 271.324 0.701 20 0 CCADLP CCOC(=O)Cn1nc(C)c(C[NH2+]CC(C)(C)[NH3+])c1C ZINC000414807610 389639176 /nfs/dbraw/zinc/63/91/76/389639176.db2.gz RPFZQDJUFJEJDJ-UHFFFAOYSA-N 2 2 282.388 0.890 20 0 CCADLP COCC[NH2+]CC[NH2+]Cc1ccc2c(c1)ncn2C ZINC000414867676 389641834 /nfs/dbraw/zinc/64/18/34/389641834.db2.gz CRPRXXHHOGKOKF-UHFFFAOYSA-N 2 2 262.357 0.899 20 0 CCADLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423370719 389575337 /nfs/dbraw/zinc/57/53/37/389575337.db2.gz PTDLQXMNWOOUIO-QWRGUYRKSA-N 2 2 285.413 0.935 20 0 CCADLP CC(C)[C@H](C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)[C@H](C)[NH3+] ZINC000423393522 389577748 /nfs/dbraw/zinc/57/77/48/389577748.db2.gz YQJILWNIOJCSAW-CRWXNKLISA-N 2 2 285.432 0.831 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(C)(O)CC2)CC1 ZINC000177325532 389578605 /nfs/dbraw/zinc/57/86/05/389578605.db2.gz PPMRIRNCBKOFSR-ZDUSSCGKSA-N 2 2 283.416 0.386 20 0 CCADLP CN(C(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)C1CC1 ZINC000374423192 389578844 /nfs/dbraw/zinc/57/88/44/389578844.db2.gz VLCSLYCQESCTBV-RBSFLKMASA-N 2 2 295.427 0.791 20 0 CCADLP CN(C(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)C1CC1 ZINC000374423192 389578846 /nfs/dbraw/zinc/57/88/46/389578846.db2.gz VLCSLYCQESCTBV-RBSFLKMASA-N 2 2 295.427 0.791 20 0 CCADLP CC(=O)NC[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351441691 389582660 /nfs/dbraw/zinc/58/26/60/389582660.db2.gz JNHFAALYGOZJSH-ZFWWWQNUSA-N 2 2 283.416 0.290 20 0 CCADLP CC(=O)NC[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000351441691 389582667 /nfs/dbraw/zinc/58/26/67/389582667.db2.gz JNHFAALYGOZJSH-ZFWWWQNUSA-N 2 2 283.416 0.290 20 0 CCADLP CC(=O)NC[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351441691 389582672 /nfs/dbraw/zinc/58/26/72/389582672.db2.gz JNHFAALYGOZJSH-ZFWWWQNUSA-N 2 2 283.416 0.290 20 0 CCADLP CC(=O)NC[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351441691 389582678 /nfs/dbraw/zinc/58/26/78/389582678.db2.gz JNHFAALYGOZJSH-ZFWWWQNUSA-N 2 2 283.416 0.290 20 0 CCADLP COCCOc1cccc(C[N@H+](CC[NH3+])CCO)c1 ZINC000414915163 389645403 /nfs/dbraw/zinc/64/54/03/389645403.db2.gz QHGZQXGPXBUHJR-UHFFFAOYSA-N 2 2 268.357 0.465 20 0 CCADLP COCCOc1cccc(C[N@@H+](CC[NH3+])CCO)c1 ZINC000414915163 389645404 /nfs/dbraw/zinc/64/54/04/389645404.db2.gz QHGZQXGPXBUHJR-UHFFFAOYSA-N 2 2 268.357 0.465 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccc2c(c1)OCO2 ZINC000423483644 389594002 /nfs/dbraw/zinc/59/40/02/389594002.db2.gz SQQUDBFBUPBRGT-AAEUAGOBSA-N 2 2 277.368 0.970 20 0 CCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000351505709 389598666 /nfs/dbraw/zinc/59/86/66/389598666.db2.gz BZRKYOSRQQGAQY-GJZGRUSLSA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000351505709 389598671 /nfs/dbraw/zinc/59/86/71/389598671.db2.gz BZRKYOSRQQGAQY-GJZGRUSLSA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)[NH+]1CCO[C@H](C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000351505709 389598678 /nfs/dbraw/zinc/59/86/78/389598678.db2.gz BZRKYOSRQQGAQY-GJZGRUSLSA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)[NH+]1CCO[C@H](C(=O)N2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC000351505709 389598684 /nfs/dbraw/zinc/59/86/84/389598684.db2.gz BZRKYOSRQQGAQY-GJZGRUSLSA-N 2 2 295.427 0.792 20 0 CCADLP C([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)[C@@H]1C[NH2+]CCO1 ZINC000423560155 389601354 /nfs/dbraw/zinc/60/13/54/389601354.db2.gz JNSJVDZNRVZZCP-REWJHTLYSA-N 2 2 266.385 0.912 20 0 CCADLP C[C@H]1C[N@H+](Cc2c[nH+]c(N(C)C)n2C)CC[C@@H]1O ZINC000425330956 389646280 /nfs/dbraw/zinc/64/62/80/389646280.db2.gz BHZFPXMNHUEPTJ-JQWIXIFHSA-N 2 2 252.362 0.689 20 0 CCADLP C[C@H]1C[N@@H+](Cc2c[nH+]c(N(C)C)n2C)CC[C@@H]1O ZINC000425330956 389646284 /nfs/dbraw/zinc/64/62/84/389646284.db2.gz BHZFPXMNHUEPTJ-JQWIXIFHSA-N 2 2 252.362 0.689 20 0 CCADLP COC[C@]1(C[NH2+]Cc2ccc(C(=O)OC)[nH]2)CCC[NH2+]1 ZINC000414948037 389646374 /nfs/dbraw/zinc/64/63/74/389646374.db2.gz WLIMQCIIVFRXAW-CQSZACIVSA-N 2 2 281.356 0.660 20 0 CCADLP C[C@H]1C[C@@H](O)C[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425370971 389646419 /nfs/dbraw/zinc/64/64/19/389646419.db2.gz PEQREFRMCJPCNY-CMPLNLGQSA-N 2 2 252.362 0.689 20 0 CCADLP C[C@H]1C[C@@H](O)C[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425370971 389646423 /nfs/dbraw/zinc/64/64/23/389646423.db2.gz PEQREFRMCJPCNY-CMPLNLGQSA-N 2 2 252.362 0.689 20 0 CCADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CS(C)(=O)=O)C1 ZINC000182564058 389710519 /nfs/dbraw/zinc/71/05/19/389710519.db2.gz NACZPLKSCFHEES-NWDGAFQWSA-N 2 2 262.419 0.741 20 0 CCADLP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CS(C)(=O)=O)C1 ZINC000182564058 389710523 /nfs/dbraw/zinc/71/05/23/389710523.db2.gz NACZPLKSCFHEES-NWDGAFQWSA-N 2 2 262.419 0.741 20 0 CCADLP COc1ccsc1C[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414969836 389649249 /nfs/dbraw/zinc/64/92/49/389649249.db2.gz UFWZQCRRVKZIOA-SNVBAGLBSA-N 2 2 255.387 0.750 20 0 CCADLP CN1CC[NH2+]C[C@H]1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000414978855 389650365 /nfs/dbraw/zinc/65/03/65/389650365.db2.gz SPFIRGYVLKBIHK-AWEZNQCLSA-N 3 2 268.449 0.743 20 0 CCADLP c1cc(NCC2CC[NH2+]CC2)[nH+]cc1N1CCOCC1 ZINC000415086049 389657566 /nfs/dbraw/zinc/65/75/66/389657566.db2.gz RDXZWRLOORYFMW-UHFFFAOYSA-N 2 2 276.384 0.752 20 0 CCADLP CC(C)(C)c1n[nH]cc1C[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000415098115 389658726 /nfs/dbraw/zinc/65/87/26/389658726.db2.gz UWRRYDIHBWXNJZ-NSHDSACASA-N 2 2 252.362 0.785 20 0 CCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415131640 389662321 /nfs/dbraw/zinc/66/23/21/389662321.db2.gz AWHZGTKAWDVWGV-LLVKDONJSA-N 2 2 290.367 0.246 20 0 CCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415131640 389662327 /nfs/dbraw/zinc/66/23/27/389662327.db2.gz AWHZGTKAWDVWGV-LLVKDONJSA-N 2 2 290.367 0.246 20 0 CCADLP CCOCCO[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351710447 389663508 /nfs/dbraw/zinc/66/35/08/389663508.db2.gz QSQLPYTUMLXPCR-CABCVRRESA-N 2 2 286.416 0.569 20 0 CCADLP CCOCCO[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351710447 389663511 /nfs/dbraw/zinc/66/35/11/389663511.db2.gz QSQLPYTUMLXPCR-CABCVRRESA-N 2 2 286.416 0.569 20 0 CCADLP CCOCCO[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000351710447 389663512 /nfs/dbraw/zinc/66/35/12/389663512.db2.gz QSQLPYTUMLXPCR-CABCVRRESA-N 2 2 286.416 0.569 20 0 CCADLP CCOCCO[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351710447 389663514 /nfs/dbraw/zinc/66/35/14/389663514.db2.gz QSQLPYTUMLXPCR-CABCVRRESA-N 2 2 286.416 0.569 20 0 CCADLP O[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)C(F)(F)F ZINC000181718255 389692258 /nfs/dbraw/zinc/69/22/58/389692258.db2.gz MIYXKFCHQUESHJ-MNOVXSKESA-N 2 2 282.306 0.564 20 0 CCADLP CC[C@H](C(=O)N[C@@H]1CCn2cc[nH+]c2C1)[NH+](C)C ZINC000428345045 389693470 /nfs/dbraw/zinc/69/34/70/389693470.db2.gz BGKRDRCPDRELRZ-GHMZBOCLSA-N 2 2 250.346 0.654 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000351860434 389701999 /nfs/dbraw/zinc/70/19/99/389701999.db2.gz IJWMDHYNWUAWDN-CHWSQXEVSA-N 2 2 297.424 0.634 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000351860434 389702003 /nfs/dbraw/zinc/70/20/03/389702003.db2.gz IJWMDHYNWUAWDN-CHWSQXEVSA-N 2 2 297.424 0.634 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000415820770 389705535 /nfs/dbraw/zinc/70/55/35/389705535.db2.gz CJILZSMXGJWSJU-UHFFFAOYSA-N 2 2 292.339 0.239 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CC2([S@](C)=O)CC2)n1C ZINC000380180849 389763700 /nfs/dbraw/zinc/76/37/00/389763700.db2.gz QQSFPELOTJEJQW-SFHVURJKSA-N 2 2 270.402 0.487 20 0 CCADLP CC[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@@]2(CCOC2)O1 ZINC000352368659 389798996 /nfs/dbraw/zinc/79/89/96/389798996.db2.gz JWULVTYVDCIKQA-BZUAXINKSA-N 2 2 298.427 0.711 20 0 CCADLP CC[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@@]2(CCOC2)O1 ZINC000352368659 389798998 /nfs/dbraw/zinc/79/89/98/389798998.db2.gz JWULVTYVDCIKQA-BZUAXINKSA-N 2 2 298.427 0.711 20 0 CCADLP CC[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)C[C@@]2(CCOC2)O1 ZINC000352368659 389799000 /nfs/dbraw/zinc/79/90/00/389799000.db2.gz JWULVTYVDCIKQA-BZUAXINKSA-N 2 2 298.427 0.711 20 0 CCADLP CC[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C[C@@]2(CCOC2)O1 ZINC000352368659 389799003 /nfs/dbraw/zinc/79/90/03/389799003.db2.gz JWULVTYVDCIKQA-BZUAXINKSA-N 2 2 298.427 0.711 20 0 CCADLP COC[C@@]1(C(=O)NCCCn2cc[nH+]c2)CC[NH2+]C1 ZINC000388664142 389770054 /nfs/dbraw/zinc/77/00/54/389770054.db2.gz BCKZCYUVRUTXQT-CYBMUJFWSA-N 2 2 266.345 0.016 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCOCC12CCCC2 ZINC000388538080 389770067 /nfs/dbraw/zinc/77/00/67/389770067.db2.gz RHVYWFAGJKTDRW-CYBMUJFWSA-N 2 2 256.390 0.944 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCOCC12CCCC2 ZINC000388538080 389770068 /nfs/dbraw/zinc/77/00/68/389770068.db2.gz RHVYWFAGJKTDRW-CYBMUJFWSA-N 2 2 256.390 0.944 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCOCC12CCCC2 ZINC000388538080 389770069 /nfs/dbraw/zinc/77/00/69/389770069.db2.gz RHVYWFAGJKTDRW-CYBMUJFWSA-N 2 2 256.390 0.944 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCOCC12CCCC2 ZINC000388538080 389770070 /nfs/dbraw/zinc/77/00/70/389770070.db2.gz RHVYWFAGJKTDRW-CYBMUJFWSA-N 2 2 256.390 0.944 20 0 CCADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000429855764 389772902 /nfs/dbraw/zinc/77/29/02/389772902.db2.gz DYHCVNDENCMIHW-ZDUSSCGKSA-N 2 2 288.351 0.559 20 0 CCADLP Cc1cc[nH+]cc1CCC[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000429855764 389772904 /nfs/dbraw/zinc/77/29/04/389772904.db2.gz DYHCVNDENCMIHW-ZDUSSCGKSA-N 2 2 288.351 0.559 20 0 CCADLP CC(C)(CNC(=O)N[C@@H](C[NH3+])C1CC1)[NH+]1CCOCC1 ZINC000416827779 389774684 /nfs/dbraw/zinc/77/46/84/389774684.db2.gz NVXHTHQCDICNSO-LBPRGKRZSA-N 2 2 284.404 0.134 20 0 CCADLP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000416834097 389775280 /nfs/dbraw/zinc/77/52/80/389775280.db2.gz WHRIDPGWACYYDA-QWHCGFSZSA-N 2 2 298.431 0.394 20 0 CCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)NCCn1cc[nH+]c1 ZINC000416853167 389776625 /nfs/dbraw/zinc/77/66/25/389776625.db2.gz NNJQEHBYRHVQGB-GFCCVEGCSA-N 2 2 265.361 0.667 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCCn1cc[nH+]c1 ZINC000416860289 389776961 /nfs/dbraw/zinc/77/69/61/389776961.db2.gz VNXFLVFGKOEWJS-VXGBXAGGSA-N 2 2 265.361 0.794 20 0 CCADLP C[C@@H](O)C[C@H](C)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000398582211 389783920 /nfs/dbraw/zinc/78/39/20/389783920.db2.gz MNIQJPZQNZQRQT-WDEREUQCSA-N 2 2 254.378 0.983 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@H]([NH3+])C1CCC1)[NH+]1CCN(C)CC1 ZINC000398964242 389787253 /nfs/dbraw/zinc/78/72/53/389787253.db2.gz PMWMTATVHPELQI-LSDHHAIUSA-N 2 2 296.459 0.502 20 0 CCADLP C[NH+](C)CCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000430248954 389788721 /nfs/dbraw/zinc/78/87/21/389788721.db2.gz HEJDIVSAPRTLKP-JTQLQIEISA-N 2 2 251.334 0.059 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000417018807 389790133 /nfs/dbraw/zinc/79/01/33/389790133.db2.gz FMHWHJAKTFPANO-KGLIPLIRSA-N 2 2 298.431 0.478 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417016709 389790215 /nfs/dbraw/zinc/79/02/15/389790215.db2.gz DBVZTGWRZCFPLR-OCCSQVGLSA-N 2 2 298.431 0.524 20 0 CCADLP [NH3+]C[C@@H]1CN(C(=O)NCCCNc2cccc[nH+]2)CCO1 ZINC000417071036 389793181 /nfs/dbraw/zinc/79/31/81/389793181.db2.gz GKRPXKUTVKSGJQ-GFCCVEGCSA-N 2 2 293.371 0.253 20 0 CCADLP O=C(NCCCNc1cccc[nH+]1)NC[C@H]1CCC[NH2+]1 ZINC000417084293 389795304 /nfs/dbraw/zinc/79/53/04/389795304.db2.gz WCFIGDQHLAHREZ-GFCCVEGCSA-N 2 2 277.372 0.935 20 0 CCADLP Cc1nc(N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)nc(N(C)C)[nH+]1 ZINC000352089239 389750071 /nfs/dbraw/zinc/75/00/71/389750071.db2.gz JFBWZNYXODYAHQ-RYUDHWBXSA-N 2 2 276.388 0.776 20 0 CCADLP Cc1nc(N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)nc(N(C)C)[nH+]1 ZINC000352089239 389750073 /nfs/dbraw/zinc/75/00/73/389750073.db2.gz JFBWZNYXODYAHQ-RYUDHWBXSA-N 2 2 276.388 0.776 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000430571871 389808217 /nfs/dbraw/zinc/80/82/17/389808217.db2.gz DFEHGZCXMVRWKS-SOUVJXGZSA-N 3 2 296.459 0.598 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000430571871 389808218 /nfs/dbraw/zinc/80/82/18/389808218.db2.gz DFEHGZCXMVRWKS-SOUVJXGZSA-N 3 2 296.459 0.598 20 0 CCADLP C[C@H]1CCC[N@H+](CCCN2C(=O)NC(C)(C)C2=O)[C@@H]1C[NH3+] ZINC000430568148 389808526 /nfs/dbraw/zinc/80/85/26/389808526.db2.gz FNTARLSEJGGIFT-NWDGAFQWSA-N 2 2 296.415 0.766 20 0 CCADLP C[C@H]1CCC[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)[C@@H]1C[NH3+] ZINC000430568148 389808529 /nfs/dbraw/zinc/80/85/29/389808529.db2.gz FNTARLSEJGGIFT-NWDGAFQWSA-N 2 2 296.415 0.766 20 0 CCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)NCc1cccnc1 ZINC000430594214 389810712 /nfs/dbraw/zinc/81/07/12/389810712.db2.gz KASWLLBWXJPQIQ-CQSZACIVSA-N 2 2 264.373 0.661 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](CCO)CC2CC2)CC1 ZINC000352458868 389814024 /nfs/dbraw/zinc/81/40/24/389814024.db2.gz PZOWSLCDMSMXHL-CYBMUJFWSA-N 2 2 283.416 0.243 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](CCO)CC2CC2)CC1 ZINC000352458868 389814027 /nfs/dbraw/zinc/81/40/27/389814027.db2.gz PZOWSLCDMSMXHL-CYBMUJFWSA-N 2 2 283.416 0.243 20 0 CCADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)[C@@H]1C[NH2+]CCO1 ZINC000430715075 389819392 /nfs/dbraw/zinc/81/93/92/389819392.db2.gz RCXSRXVZZBTMOM-AWEZNQCLSA-N 2 2 286.335 0.477 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000417497995 389820899 /nfs/dbraw/zinc/82/08/99/389820899.db2.gz CRIVRDLHPWVOCH-GFCCVEGCSA-N 2 2 286.420 0.380 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000417497995 389820902 /nfs/dbraw/zinc/82/09/02/389820902.db2.gz CRIVRDLHPWVOCH-GFCCVEGCSA-N 2 2 286.420 0.380 20 0 CCADLP CCCC[C@H](C[NH3+])NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000417501550 389821630 /nfs/dbraw/zinc/82/16/30/389821630.db2.gz AJRGNINYLCDMKD-QWHCGFSZSA-N 2 2 286.420 0.524 20 0 CCADLP CCCC[C@H](C[NH3+])NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000417501550 389821633 /nfs/dbraw/zinc/82/16/33/389821633.db2.gz AJRGNINYLCDMKD-QWHCGFSZSA-N 2 2 286.420 0.524 20 0 CCADLP C[NH2+]C[C@H]1CCCN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000417508448 389823470 /nfs/dbraw/zinc/82/34/70/389823470.db2.gz QIYOWOPAFRHLQK-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH2+]C[C@H]1CCCN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000417508448 389823473 /nfs/dbraw/zinc/82/34/73/389823473.db2.gz QIYOWOPAFRHLQK-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000417513361 389824184 /nfs/dbraw/zinc/82/41/84/389824184.db2.gz XSLIEOVCPJDXLU-STQMWFEESA-N 2 2 298.431 0.476 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000417513361 389824188 /nfs/dbraw/zinc/82/41/88/389824188.db2.gz XSLIEOVCPJDXLU-STQMWFEESA-N 2 2 298.431 0.476 20 0 CCADLP C[C@H](NC(=O)NCC(C)(C)[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000417515638 389824465 /nfs/dbraw/zinc/82/44/65/389824465.db2.gz DRLHRVOSADRONV-QWRGUYRKSA-N 2 2 272.393 0.132 20 0 CCADLP COCC[NH2+]CC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000430816182 389827482 /nfs/dbraw/zinc/82/74/82/389827482.db2.gz XUNJHMPRJMEMBB-UHFFFAOYSA-N 3 2 275.312 0.442 20 0 CCADLP C[C@H](CC(=O)NCC[N@@H+]1CCOC[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000430878052 389830444 /nfs/dbraw/zinc/83/04/44/389830444.db2.gz GRBILCUMBTVMJA-KFWWJZLASA-N 2 2 297.443 0.849 20 0 CCADLP C[C@H](CC(=O)NCC[N@H+]1CCOC[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000430878052 389830448 /nfs/dbraw/zinc/83/04/48/389830448.db2.gz GRBILCUMBTVMJA-KFWWJZLASA-N 2 2 297.443 0.849 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000430877935 389830645 /nfs/dbraw/zinc/83/06/45/389830645.db2.gz GMVDOAHYLWULFL-QPSCCSFWSA-N 2 2 295.427 0.744 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000430877935 389830648 /nfs/dbraw/zinc/83/06/48/389830648.db2.gz GMVDOAHYLWULFL-QPSCCSFWSA-N 2 2 295.427 0.744 20 0 CCADLP C[C@H](CC(=O)NCC[N@@H+]1CCOC[C@@H]1C)C1CC[NH2+]CC1 ZINC000430892499 389832736 /nfs/dbraw/zinc/83/27/36/389832736.db2.gz FRDYVVJUOQAPNW-KGLIPLIRSA-N 2 2 297.443 0.849 20 0 CCADLP C[C@H](CC(=O)NCC[N@H+]1CCOC[C@@H]1C)C1CC[NH2+]CC1 ZINC000430892499 389832739 /nfs/dbraw/zinc/83/27/39/389832739.db2.gz FRDYVVJUOQAPNW-KGLIPLIRSA-N 2 2 297.443 0.849 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H]2CCCN(c3cnn(C)c3)C2=O)C1 ZINC000430918683 389834744 /nfs/dbraw/zinc/83/47/44/389834744.db2.gz NTSULQUTOMJCKC-JSGCOSHPSA-N 2 2 291.399 0.457 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H]2CCCN(c3cnn(C)c3)C2=O)C1 ZINC000430918683 389834747 /nfs/dbraw/zinc/83/47/47/389834747.db2.gz NTSULQUTOMJCKC-JSGCOSHPSA-N 2 2 291.399 0.457 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NCc2cccnc2)C1 ZINC000430929409 389835481 /nfs/dbraw/zinc/83/54/81/389835481.db2.gz WKVGCDZBSBECBH-ZDUSSCGKSA-N 2 2 262.357 0.239 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NCc2cccnc2)C1 ZINC000430929409 389835486 /nfs/dbraw/zinc/83/54/86/389835486.db2.gz WKVGCDZBSBECBH-ZDUSSCGKSA-N 2 2 262.357 0.239 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NCc2ccc(OC)cc2)C1 ZINC000430928151 389835800 /nfs/dbraw/zinc/83/58/00/389835800.db2.gz KMPSWPMLPUKLRG-CQSZACIVSA-N 2 2 291.395 0.853 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(OC)cc2)C1 ZINC000430928151 389835802 /nfs/dbraw/zinc/83/58/02/389835802.db2.gz KMPSWPMLPUKLRG-CQSZACIVSA-N 2 2 291.395 0.853 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000352811662 389836576 /nfs/dbraw/zinc/83/65/76/389836576.db2.gz VFEXTXYMJUQXAE-JSGCOSHPSA-N 3 2 267.417 0.515 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000352811662 389836579 /nfs/dbraw/zinc/83/65/79/389836579.db2.gz VFEXTXYMJUQXAE-JSGCOSHPSA-N 3 2 267.417 0.515 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000430949504 389839205 /nfs/dbraw/zinc/83/92/05/389839205.db2.gz NXAVOOZNDVRRKT-ZFWWWQNUSA-N 3 2 296.459 0.645 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000430949504 389839208 /nfs/dbraw/zinc/83/92/08/389839208.db2.gz NXAVOOZNDVRRKT-ZFWWWQNUSA-N 3 2 296.459 0.645 20 0 CCADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cn2)C1 ZINC000430967566 389841875 /nfs/dbraw/zinc/84/18/75/389841875.db2.gz TYSZEYDXPGSYSP-SECBINFHSA-N 2 2 268.748 0.954 20 0 CCADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cn2)C1 ZINC000430967566 389841876 /nfs/dbraw/zinc/84/18/76/389841876.db2.gz TYSZEYDXPGSYSP-SECBINFHSA-N 2 2 268.748 0.954 20 0 CCADLP C[C@H]([NH3+])C[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000442652507 389853214 /nfs/dbraw/zinc/85/32/14/389853214.db2.gz UBHRVZLXCVQGLF-NSHDSACASA-N 2 2 252.362 0.402 20 0 CCADLP Cc1nc(C)n(C[C@H]2CCC[N@@H+](C[C@@H](C)[NH3+])C2)n1 ZINC000442655577 389853759 /nfs/dbraw/zinc/85/37/59/389853759.db2.gz CSASJAJPCFWNEZ-MFKMUULPSA-N 2 2 251.378 0.954 20 0 CCADLP Cc1nc(C)n(C[C@H]2CCC[N@H+](C[C@@H](C)[NH3+])C2)n1 ZINC000442655577 389853760 /nfs/dbraw/zinc/85/37/60/389853760.db2.gz CSASJAJPCFWNEZ-MFKMUULPSA-N 2 2 251.378 0.954 20 0 CCADLP C[C@@H]([NH3+])C[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000442663059 389854080 /nfs/dbraw/zinc/85/40/80/389854080.db2.gz IQYILNKJXLSYRE-LLVKDONJSA-N 2 2 279.388 0.209 20 0 CCADLP C[C@@H]([NH3+])C[N@H+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000442664160 389854293 /nfs/dbraw/zinc/85/42/93/389854293.db2.gz VSTJOHKIGLIEHA-ZJUUUORDSA-N 2 2 271.386 0.674 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000442664160 389854295 /nfs/dbraw/zinc/85/42/95/389854295.db2.gz VSTJOHKIGLIEHA-ZJUUUORDSA-N 2 2 271.386 0.674 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442764834 389861913 /nfs/dbraw/zinc/86/19/13/389861913.db2.gz IFOZSCUHGDNVBN-VXGBXAGGSA-N 2 2 262.419 0.869 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442764834 389861914 /nfs/dbraw/zinc/86/19/14/389861914.db2.gz IFOZSCUHGDNVBN-VXGBXAGGSA-N 2 2 262.419 0.869 20 0 CCADLP COCC[NH+]1CCC([NH2+]CC2([S@](C)=O)CC2)CC1 ZINC000442809475 389864226 /nfs/dbraw/zinc/86/42/26/389864226.db2.gz KKHIZOTWUQBOLO-SFHVURJKSA-N 2 2 274.430 0.598 20 0 CCADLP CC(C)(C)[NH2+]CCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000431787164 389866482 /nfs/dbraw/zinc/86/64/82/389866482.db2.gz GVKHABBZKYVPGO-UHFFFAOYSA-N 2 2 271.405 0.602 20 0 CCADLP Nc1cc[nH+]cc1C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000444272665 389899269 /nfs/dbraw/zinc/89/92/69/389899269.db2.gz YFCYAUMHMDGSEX-LBPRGKRZSA-N 2 2 290.367 0.288 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000433158726 389902596 /nfs/dbraw/zinc/90/25/96/389902596.db2.gz QBBKSUBEJMNXMM-NEPJUHHUSA-N 2 2 257.378 0.054 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000433168076 389903265 /nfs/dbraw/zinc/90/32/65/389903265.db2.gz LFWCUFTZWHUZLI-LBPRGKRZSA-N 2 2 271.405 0.444 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000433168076 389903266 /nfs/dbraw/zinc/90/32/66/389903266.db2.gz LFWCUFTZWHUZLI-LBPRGKRZSA-N 2 2 271.405 0.444 20 0 CCADLP CCC([NH3+])(CC)CNC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000419691423 389906666 /nfs/dbraw/zinc/90/66/66/389906666.db2.gz WHWRDJXRPMGMJP-NSHDSACASA-N 2 2 295.387 0.022 20 0 CCADLP Cn1c2c(cccc2F)[nH+]c1N1CCO[C@@H](C[NH3+])C1 ZINC000420246536 389972316 /nfs/dbraw/zinc/97/23/16/389972316.db2.gz TVHYNKITLAJRIV-VIFPVBQESA-N 2 2 264.304 0.876 20 0 CCADLP CC(C)[C@H](C(=O)N1CC[NH+](CCO)CC1)[NH+]1CCCCC1 ZINC000445515861 389923628 /nfs/dbraw/zinc/92/36/28/389923628.db2.gz ZCCJATPGCZFNKP-OAHLLOKOSA-N 2 2 297.443 0.633 20 0 CCADLP FCC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000436312489 389974038 /nfs/dbraw/zinc/97/40/38/389974038.db2.gz KJGCBXXOBHDOIO-UHFFFAOYSA-N 2 2 259.369 0.342 20 0 CCADLP FCC[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000436312489 389974039 /nfs/dbraw/zinc/97/40/39/389974039.db2.gz KJGCBXXOBHDOIO-UHFFFAOYSA-N 2 2 259.369 0.342 20 0 CCADLP COCCO[C@H]1C[C@H](CO)C[N@H+](CCn2cc[nH+]c2C)C1 ZINC000447395307 389954012 /nfs/dbraw/zinc/95/40/12/389954012.db2.gz IIUBCTLGTSPULB-GJZGRUSLSA-N 2 2 297.399 0.537 20 0 CCADLP COCCO[C@H]1C[C@H](CO)C[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000447395307 389954013 /nfs/dbraw/zinc/95/40/13/389954013.db2.gz IIUBCTLGTSPULB-GJZGRUSLSA-N 2 2 297.399 0.537 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H](C)C[C@H](CO)C2)CC1 ZINC000420945328 390039443 /nfs/dbraw/zinc/03/94/43/390039443.db2.gz ROQQYFHTGKKLQX-KKUMJFAQSA-N 2 2 297.443 0.489 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H](C)C[C@H](CO)C2)CC1 ZINC000420945328 390039446 /nfs/dbraw/zinc/03/94/46/390039446.db2.gz ROQQYFHTGKKLQX-KKUMJFAQSA-N 2 2 297.443 0.489 20 0 CCADLP CCOc1ccccc1NC(=O)CC[N@H+](CC[NH3+])CCO ZINC000420310465 389982248 /nfs/dbraw/zinc/98/22/48/389982248.db2.gz PXBGMBCCDJARHE-UHFFFAOYSA-N 2 2 295.383 0.667 20 0 CCADLP CCOc1ccccc1NC(=O)CC[N@@H+](CC[NH3+])CCO ZINC000420310465 389982250 /nfs/dbraw/zinc/98/22/50/389982250.db2.gz PXBGMBCCDJARHE-UHFFFAOYSA-N 2 2 295.383 0.667 20 0 CCADLP COc1ccc([C@H](C[NH3+])C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000420318459 389982712 /nfs/dbraw/zinc/98/27/12/389982712.db2.gz WFTDERLOPDXKSJ-KFWWJZLASA-N 3 2 275.396 0.889 20 0 CCADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000420318459 389982716 /nfs/dbraw/zinc/98/27/16/389982716.db2.gz WFTDERLOPDXKSJ-KFWWJZLASA-N 3 2 275.396 0.889 20 0 CCADLP C[N@H+](C[C@H](O)C[NH3+])[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000420351055 389988964 /nfs/dbraw/zinc/98/89/64/389988964.db2.gz IXHBUAUCCVSWAQ-ZIAGYGMSSA-N 2 2 295.358 0.573 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH3+])[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000420351055 389988966 /nfs/dbraw/zinc/98/89/66/389988966.db2.gz IXHBUAUCCVSWAQ-ZIAGYGMSSA-N 2 2 295.358 0.573 20 0 CCADLP O=C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)NCC1CCC1 ZINC000420352121 389989429 /nfs/dbraw/zinc/98/94/29/389989429.db2.gz AODHWAKRPBSAMW-OAHLLOKOSA-N 2 2 265.401 0.978 20 0 CCADLP O=C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)NCC1CCC1 ZINC000420352121 389989431 /nfs/dbraw/zinc/98/94/31/389989431.db2.gz AODHWAKRPBSAMW-OAHLLOKOSA-N 2 2 265.401 0.978 20 0 CCADLP C[C@@H](C(=O)NCc1ccccc1Cl)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420352769 389989675 /nfs/dbraw/zinc/98/96/75/389989675.db2.gz MSSAOSWZRZSXTC-JQWIXIFHSA-N 2 2 299.802 0.596 20 0 CCADLP C[C@@H](C(=O)NCc1ccccc1Cl)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420352769 389989676 /nfs/dbraw/zinc/98/96/76/389989676.db2.gz MSSAOSWZRZSXTC-JQWIXIFHSA-N 2 2 299.802 0.596 20 0 CCADLP Cc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H](O)C[NH3+])c(F)c1 ZINC000420355488 389990157 /nfs/dbraw/zinc/99/01/57/389990157.db2.gz PRDGLBLGDDNOTK-QWRGUYRKSA-N 2 2 283.347 0.713 20 0 CCADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])c(F)c1 ZINC000420355488 389990158 /nfs/dbraw/zinc/99/01/58/389990158.db2.gz PRDGLBLGDDNOTK-QWRGUYRKSA-N 2 2 283.347 0.713 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCOC[C@@H]2OC)C1 ZINC000449461102 389994099 /nfs/dbraw/zinc/99/40/99/389994099.db2.gz SITXKMPSRNIIPE-FQUUOJAGSA-N 2 2 256.390 0.968 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCOC[C@@H]2OC)C1 ZINC000449461102 389994100 /nfs/dbraw/zinc/99/41/00/389994100.db2.gz SITXKMPSRNIIPE-FQUUOJAGSA-N 2 2 256.390 0.968 20 0 CCADLP C[C@H](C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)CS(C)(=O)=O ZINC000420375517 389994347 /nfs/dbraw/zinc/99/43/47/389994347.db2.gz TWYVDSFKFMKLNV-DDHJBXDOSA-N 2 2 262.419 0.643 20 0 CCADLP C[C@H]([NH3+])C[NH2+][C@@H](CN1CCOCC1)c1ccccc1 ZINC000420374110 389994408 /nfs/dbraw/zinc/99/44/08/389994408.db2.gz NFWNQYKGVUUUBP-ZFWWWQNUSA-N 2 2 263.385 0.997 20 0 CCADLP CCCCN(CC)C(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420384247 389995275 /nfs/dbraw/zinc/99/52/75/389995275.db2.gz GHSJJMPQQVRCSS-CYBMUJFWSA-N 2 2 271.405 0.685 20 0 CCADLP CCCCN(CC)C(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420384247 389995276 /nfs/dbraw/zinc/99/52/76/389995276.db2.gz GHSJJMPQQVRCSS-CYBMUJFWSA-N 2 2 271.405 0.685 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](CCOCC(F)(F)C(F)F)CCCO1 ZINC000420394536 389996509 /nfs/dbraw/zinc/99/65/09/389996509.db2.gz RURXQVPIKZRVOV-SECBINFHSA-N 2 2 288.285 0.953 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](CCOCC(F)(F)C(F)F)CCCO1 ZINC000420394536 389996511 /nfs/dbraw/zinc/99/65/11/389996511.db2.gz RURXQVPIKZRVOV-SECBINFHSA-N 2 2 288.285 0.953 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NCc2cccnc2)C[C@@H]1C[NH3+] ZINC000420414652 389998766 /nfs/dbraw/zinc/99/87/66/389998766.db2.gz UOWDJVPRUWISCR-OCCSQVGLSA-N 2 2 276.384 0.615 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NCc2cccnc2)C[C@@H]1C[NH3+] ZINC000420414652 389998768 /nfs/dbraw/zinc/99/87/68/389998768.db2.gz UOWDJVPRUWISCR-OCCSQVGLSA-N 2 2 276.384 0.615 20 0 CCADLP CCOC(=O)[C@@H]([NH2+]CCN1CC[NH2+]CC1)[C@H](C)CC ZINC000420414602 389998904 /nfs/dbraw/zinc/99/89/04/389998904.db2.gz UMPPNSCENMUQHB-OLZOCXBDSA-N 2 2 271.405 0.459 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N(C)CC(F)(F)F)C[C@@H]1C[NH3+] ZINC000420417284 389999645 /nfs/dbraw/zinc/99/96/45/389999645.db2.gz WGUNSNLPKLDMTK-UWVGGRQHSA-N 2 2 281.322 0.924 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N(C)CC(F)(F)F)C[C@@H]1C[NH3+] ZINC000420417284 389999647 /nfs/dbraw/zinc/99/96/47/389999647.db2.gz WGUNSNLPKLDMTK-UWVGGRQHSA-N 2 2 281.322 0.924 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000439120432 390014764 /nfs/dbraw/zinc/01/47/64/390014764.db2.gz RHOCUZNTUKUTPH-LBPRGKRZSA-N 2 2 296.419 0.173 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000439120432 390014765 /nfs/dbraw/zinc/01/47/65/390014765.db2.gz RHOCUZNTUKUTPH-LBPRGKRZSA-N 2 2 296.419 0.173 20 0 CCADLP Cc1cc(C)c(CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)c[nH+]1 ZINC000456850226 390020072 /nfs/dbraw/zinc/02/00/72/390020072.db2.gz WBMYWRTVBCHXOE-HNNXBMFYSA-N 2 2 288.395 0.705 20 0 CCADLP Cc1cc(C)c(CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)c[nH+]1 ZINC000456850226 390020073 /nfs/dbraw/zinc/02/00/73/390020073.db2.gz WBMYWRTVBCHXOE-HNNXBMFYSA-N 2 2 288.395 0.705 20 0 CCADLP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000440120495 390032307 /nfs/dbraw/zinc/03/23/07/390032307.db2.gz QTOCKMVTPYNKBD-STQMWFEESA-N 2 2 276.384 0.904 20 0 CCADLP CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000440120495 390032310 /nfs/dbraw/zinc/03/23/10/390032310.db2.gz QTOCKMVTPYNKBD-STQMWFEESA-N 2 2 276.384 0.904 20 0 CCADLP C[N@H+](CCO)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420900163 390036892 /nfs/dbraw/zinc/03/68/92/390036892.db2.gz IRDQBEPIWVFHRR-UHFFFAOYSA-N 2 2 264.369 0.943 20 0 CCADLP C[N@@H+](CCO)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420900163 390036893 /nfs/dbraw/zinc/03/68/93/390036893.db2.gz IRDQBEPIWVFHRR-UHFFFAOYSA-N 2 2 264.369 0.943 20 0 CCADLP C[N@H+](CC(N)=O)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420898046 390036943 /nfs/dbraw/zinc/03/69/43/390036943.db2.gz CEENXBNJRBVIBL-UHFFFAOYSA-N 2 2 277.368 0.436 20 0 CCADLP C[N@@H+](CC(N)=O)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420898046 390036944 /nfs/dbraw/zinc/03/69/44/390036944.db2.gz CEENXBNJRBVIBL-UHFFFAOYSA-N 2 2 277.368 0.436 20 0 CCADLP C[NH+](C)C/C=C/C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000492862035 390118590 /nfs/dbraw/zinc/11/85/90/390118590.db2.gz IGOQYCYXLMCHCD-DRHCNIFCSA-N 2 2 267.373 0.036 20 0 CCADLP C[NH+](C)C/C=C/C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000492862035 390118591 /nfs/dbraw/zinc/11/85/91/390118591.db2.gz IGOQYCYXLMCHCD-DRHCNIFCSA-N 2 2 267.373 0.036 20 0 CCADLP C[C@H](C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000479471513 390081799 /nfs/dbraw/zinc/08/17/99/390081799.db2.gz FEXZRFCSDYKSTP-UONOGXRCSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000488569840 390094804 /nfs/dbraw/zinc/09/48/04/390094804.db2.gz UNYPGVCFFLDKJB-SNPRPXQTSA-N 2 2 288.395 0.752 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000488569840 390094805 /nfs/dbraw/zinc/09/48/05/390094805.db2.gz UNYPGVCFFLDKJB-SNPRPXQTSA-N 2 2 288.395 0.752 20 0 CCADLP Cc1nc(NC2CC[NH+](C)CC2)nc(N(C)C)[nH+]1 ZINC000489473133 390100505 /nfs/dbraw/zinc/10/05/05/390100505.db2.gz IIDSGIJMDGEAIT-UHFFFAOYSA-N 2 2 250.350 0.174 20 0 CCADLP COC(=O)N(C)CC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000491452162 390113487 /nfs/dbraw/zinc/11/34/87/390113487.db2.gz KFOSEJYOAIEDTE-UHFFFAOYSA-N 2 2 289.295 0.904 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458101589 390052978 /nfs/dbraw/zinc/05/29/78/390052978.db2.gz WBUWFVXKPZTBCU-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458101589 390052979 /nfs/dbraw/zinc/05/29/79/390052979.db2.gz WBUWFVXKPZTBCU-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP Cc1ccc(/C=C/C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])nc1 ZINC000493229200 390121312 /nfs/dbraw/zinc/12/13/12/390121312.db2.gz YWZNGWYLQLMPJK-VBROQKIQSA-N 2 2 274.368 0.505 20 0 CCADLP Cc1ccc(/C=C/C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])nc1 ZINC000493229200 390121313 /nfs/dbraw/zinc/12/13/13/390121313.db2.gz YWZNGWYLQLMPJK-VBROQKIQSA-N 2 2 274.368 0.505 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000493253947 390121730 /nfs/dbraw/zinc/12/17/30/390121730.db2.gz LNMHZFBYJPCTJE-HNFMAKEJSA-N 2 2 274.368 0.984 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)/C=C\C[NH+](C)C ZINC000493288815 390122484 /nfs/dbraw/zinc/12/24/84/390122484.db2.gz NUFAUNILZNBDFN-CFHLNLSMSA-N 2 2 269.389 0.283 20 0 CCADLP C[NH+]1CCC(CCO)(NC(=O)/C=C\c2[nH]cc[nH+]2)CC1 ZINC000493418629 390125095 /nfs/dbraw/zinc/12/50/95/390125095.db2.gz HXUSIHBEUZTXHU-IHWYPQMZSA-N 2 2 278.356 0.386 20 0 CCADLP C[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)[C@@H](C)C[N@@H+]1CCO ZINC000493691466 390127507 /nfs/dbraw/zinc/12/75/07/390127507.db2.gz SPBPZWNXFHYDTF-LXYZTQFVSA-N 2 2 278.356 0.336 20 0 CCADLP C[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)[C@@H](C)C[N@H+]1CCO ZINC000493691466 390127508 /nfs/dbraw/zinc/12/75/08/390127508.db2.gz SPBPZWNXFHYDTF-LXYZTQFVSA-N 2 2 278.356 0.336 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000493866187 390130897 /nfs/dbraw/zinc/13/08/97/390130897.db2.gz BBNKMNUXODZDSU-DLRQAJBASA-N 2 2 264.329 0.102 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000493890058 390132138 /nfs/dbraw/zinc/13/21/38/390132138.db2.gz AGFSFYNBRDCINX-UWVGGRQHSA-N 2 2 250.346 0.747 20 0 CCADLP COCC[N@H+](C)CCC[NH2+]C[C@](C)(O)C(F)(F)F ZINC000578997169 390132642 /nfs/dbraw/zinc/13/26/42/390132642.db2.gz FFXHRGYOECJBCT-JTQLQIEISA-N 2 2 272.311 0.858 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+]C[C@](C)(O)C(F)(F)F ZINC000578997169 390132645 /nfs/dbraw/zinc/13/26/45/390132645.db2.gz FFXHRGYOECJBCT-JTQLQIEISA-N 2 2 272.311 0.858 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH+]1CCSCC1 ZINC000579002545 390133815 /nfs/dbraw/zinc/13/38/15/390133815.db2.gz PUKYUFLXTXDNOU-NSHDSACASA-N 2 2 282.413 0.753 20 0 CCADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCn3cc[nH+]c3)C2)CC1 ZINC000535034908 390136553 /nfs/dbraw/zinc/13/65/53/390136553.db2.gz KTZRWEPBIVVLHP-INIZCTEOSA-N 3 2 291.443 0.983 20 0 CCADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCn3cc[nH+]c3)C2)CC1 ZINC000535034908 390136554 /nfs/dbraw/zinc/13/65/54/390136554.db2.gz KTZRWEPBIVVLHP-INIZCTEOSA-N 3 2 291.443 0.983 20 0 CCADLP COC(=O)C[N@@H+]1CCC[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC000579059358 390138029 /nfs/dbraw/zinc/13/80/29/390138029.db2.gz HHDZMSJYAWJOGD-GFCCVEGCSA-N 2 2 278.356 0.504 20 0 CCADLP COC(=O)C[N@H+]1CCC[C@H](CNc2cc[nH+]c(C)n2)C1 ZINC000579059358 390138032 /nfs/dbraw/zinc/13/80/32/390138032.db2.gz HHDZMSJYAWJOGD-GFCCVEGCSA-N 2 2 278.356 0.504 20 0 CCADLP CC[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000579083359 390140215 /nfs/dbraw/zinc/14/02/15/390140215.db2.gz BGZVTXDCCNVOLX-LXFSFDBISA-N 2 2 286.416 0.614 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535314020 390143085 /nfs/dbraw/zinc/14/30/85/390143085.db2.gz PUNBQBYCSPEWDC-GHMZBOCLSA-N 2 2 262.357 0.877 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535314020 390143087 /nfs/dbraw/zinc/14/30/87/390143087.db2.gz PUNBQBYCSPEWDC-GHMZBOCLSA-N 2 2 262.357 0.877 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000644150404 390147996 /nfs/dbraw/zinc/14/79/96/390147996.db2.gz WNYLYIUCIVGEDS-SDDRHHMPSA-N 2 2 262.357 0.760 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@H]2CC2(C)C)[C@H](C[NH3+])C1 ZINC000579333044 390162581 /nfs/dbraw/zinc/16/25/81/390162581.db2.gz NKELRUDDWJEYHX-GHMZBOCLSA-N 2 2 254.378 0.317 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@H]2CC2(C)C)[C@H](C[NH3+])C1 ZINC000579333044 390162582 /nfs/dbraw/zinc/16/25/82/390162582.db2.gz NKELRUDDWJEYHX-GHMZBOCLSA-N 2 2 254.378 0.317 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)c1ccccc1OC ZINC000579370724 390168086 /nfs/dbraw/zinc/16/80/86/390168086.db2.gz QFBHAEBQCZCGMS-JSGCOSHPSA-N 2 2 282.384 0.631 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)c1ccccc1OC ZINC000579370724 390168090 /nfs/dbraw/zinc/16/80/90/390168090.db2.gz QFBHAEBQCZCGMS-JSGCOSHPSA-N 2 2 282.384 0.631 20 0 CCADLP Cc1ccncc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000579377518 390168726 /nfs/dbraw/zinc/16/87/26/390168726.db2.gz REAPENMKZIVWNX-OLZOCXBDSA-N 2 2 260.341 0.134 20 0 CCADLP COC(=O)C(C)(C)N1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000494391860 390171142 /nfs/dbraw/zinc/17/11/42/390171142.db2.gz JDMMCAXLCGUFCL-UHFFFAOYSA-N 2 2 294.399 0.761 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2nccc(N)n2)C1 ZINC000536996330 390172694 /nfs/dbraw/zinc/17/26/94/390172694.db2.gz VNNHUMIRAFQONF-JTQLQIEISA-N 2 2 258.329 0.612 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2nccc(N)n2)C1 ZINC000536996330 390172700 /nfs/dbraw/zinc/17/27/00/390172700.db2.gz VNNHUMIRAFQONF-JTQLQIEISA-N 2 2 258.329 0.612 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC(C[NH+]2CCOCC2)C1 ZINC000647806788 390177367 /nfs/dbraw/zinc/17/73/67/390177367.db2.gz WZXJIWCADKNADI-UHFFFAOYSA-N 2 2 278.356 0.064 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000579718781 390202550 /nfs/dbraw/zinc/20/25/50/390202550.db2.gz BIGFRIZEZFMJBE-UONOGXRCSA-N 2 2 294.399 0.749 20 0 CCADLP CCn1nc2c(cc1=O)C[N@@H+](CCC[NH2+]C)CC2 ZINC000647891616 390209963 /nfs/dbraw/zinc/20/99/63/390209963.db2.gz XWZBSHZSARZDON-UHFFFAOYSA-N 2 2 250.346 0.231 20 0 CCADLP CCn1nc2c(cc1=O)C[N@H+](CCC[NH2+]C)CC2 ZINC000647891616 390209965 /nfs/dbraw/zinc/20/99/65/390209965.db2.gz XWZBSHZSARZDON-UHFFFAOYSA-N 2 2 250.346 0.231 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)NCC[NH+](C)C2CC2)CCO1 ZINC000495028190 390212537 /nfs/dbraw/zinc/21/25/37/390212537.db2.gz UMASSZCSYCUNEK-CQSZACIVSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCC[NH+](C)C2CC2)CCO1 ZINC000495028190 390212544 /nfs/dbraw/zinc/21/25/44/390212544.db2.gz UMASSZCSYCUNEK-CQSZACIVSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1C[NH+](CCNC(=O)NCC[N@H+](C)C2CC2)CCO1 ZINC000495028190 390212548 /nfs/dbraw/zinc/21/25/48/390212548.db2.gz UMASSZCSYCUNEK-CQSZACIVSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1C[NH+](CCNC(=O)NCC[N@@H+](C)C2CC2)CCO1 ZINC000495028190 390212551 /nfs/dbraw/zinc/21/25/51/390212551.db2.gz UMASSZCSYCUNEK-CQSZACIVSA-N 2 2 298.431 0.491 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)n1 ZINC000647907937 390214053 /nfs/dbraw/zinc/21/40/53/390214053.db2.gz VIPRWJJXQKPEPA-DCAQKATOSA-N 3 2 279.388 0.823 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)n1 ZINC000647907937 390214056 /nfs/dbraw/zinc/21/40/56/390214056.db2.gz VIPRWJJXQKPEPA-DCAQKATOSA-N 3 2 279.388 0.823 20 0 CCADLP CC1([NH3+])CC[NH+](CCNS(=O)(=O)c2ccccc2)CC1 ZINC000647925838 390219200 /nfs/dbraw/zinc/21/92/00/390219200.db2.gz ZJYZCJDGIXGLAX-UHFFFAOYSA-N 2 2 297.424 0.778 20 0 CCADLP CC[C@H]1C[N@H+](Cc2cc(=O)n3[nH]ccc3n2)CC[C@H]1[NH3+] ZINC000647936560 390223174 /nfs/dbraw/zinc/22/31/74/390223174.db2.gz HDUPKIUDGMFCCS-CMPLNLGQSA-N 2 2 275.356 0.582 20 0 CCADLP CC[C@H]1C[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)CC[C@H]1[NH3+] ZINC000647936560 390223177 /nfs/dbraw/zinc/22/31/77/390223177.db2.gz HDUPKIUDGMFCCS-CMPLNLGQSA-N 2 2 275.356 0.582 20 0 CCADLP CN1CCC[C@H]([NH+]2CCC([N@H+](C)CCCO)CC2)C1=O ZINC000538707282 390196777 /nfs/dbraw/zinc/19/67/77/390196777.db2.gz PLJPUVLRCFJWNL-AWEZNQCLSA-N 2 2 283.416 0.386 20 0 CCADLP CN1CCC[C@H]([NH+]2CCC([N@@H+](C)CCCO)CC2)C1=O ZINC000538707282 390196781 /nfs/dbraw/zinc/19/67/81/390196781.db2.gz PLJPUVLRCFJWNL-AWEZNQCLSA-N 2 2 283.416 0.386 20 0 CCADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@@H](O)CC(F)(F)F ZINC000580327297 390239542 /nfs/dbraw/zinc/23/95/42/390239542.db2.gz FXZWIZQICWIORF-QWRGUYRKSA-N 2 2 284.322 0.736 20 0 CCADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]C[C@@H](O)CC(F)(F)F ZINC000580327297 390239546 /nfs/dbraw/zinc/23/95/46/390239546.db2.gz FXZWIZQICWIORF-QWRGUYRKSA-N 2 2 284.322 0.736 20 0 CCADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000580347801 390241616 /nfs/dbraw/zinc/24/16/16/390241616.db2.gz LGCUMOUPDTXRST-ZDUSSCGKSA-N 2 2 289.383 0.584 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CN2CCOCC2)C1 ZINC000647965321 390232593 /nfs/dbraw/zinc/23/25/93/390232593.db2.gz RVCBVXRUKMNKQT-JKSUJKDBSA-N 2 2 299.459 0.342 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CN2CCOCC2)C1 ZINC000647965321 390232597 /nfs/dbraw/zinc/23/25/97/390232597.db2.gz RVCBVXRUKMNKQT-JKSUJKDBSA-N 2 2 299.459 0.342 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000647965321 390232599 /nfs/dbraw/zinc/23/25/99/390232599.db2.gz RVCBVXRUKMNKQT-JKSUJKDBSA-N 2 2 299.459 0.342 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000647965321 390232602 /nfs/dbraw/zinc/23/26/02/390232602.db2.gz RVCBVXRUKMNKQT-JKSUJKDBSA-N 2 2 299.459 0.342 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)CC[C@@H]1[NH3+] ZINC000648126425 390296273 /nfs/dbraw/zinc/29/62/73/390296273.db2.gz JBNCKFUWHCIFRD-MCIONIFRSA-N 2 2 282.432 0.208 20 0 CCADLP CC(C)[C@@H](CO)C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581370515 390251667 /nfs/dbraw/zinc/25/16/67/390251667.db2.gz YHJQIDAPWDJKDW-LXTVHRRPSA-N 2 2 288.432 0.311 20 0 CCADLP CC(C)[C@@H](CO)C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581370515 390251669 /nfs/dbraw/zinc/25/16/69/390251669.db2.gz YHJQIDAPWDJKDW-LXTVHRRPSA-N 2 2 288.432 0.311 20 0 CCADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)CN1CCOCC1 ZINC000644569493 390255559 /nfs/dbraw/zinc/25/55/59/390255559.db2.gz SWRBNQIKPVDNCN-CABCVRRESA-N 2 2 285.432 0.144 20 0 CCADLP C[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)CC[C@@H]1[NH3+] ZINC000582181827 390267032 /nfs/dbraw/zinc/26/70/32/390267032.db2.gz SWKPDCGKQDLLCD-MNOVXSKESA-N 2 2 260.403 0.480 20 0 CCADLP C[C@@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)CC[C@@H]1[NH3+] ZINC000582181827 390267034 /nfs/dbraw/zinc/26/70/34/390267034.db2.gz SWKPDCGKQDLLCD-MNOVXSKESA-N 2 2 260.403 0.480 20 0 CCADLP CN1CCN(C)[C@@H](c2noc(CCn3cc[nH+]c3)n2)C1 ZINC000547209319 390364206 /nfs/dbraw/zinc/36/42/06/390364206.db2.gz JQPOJDPQDJLIBI-LLVKDONJSA-N 2 2 276.344 0.427 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1c1noc(CCn2cc[nH+]c2)n1 ZINC000547209319 390364208 /nfs/dbraw/zinc/36/42/08/390364208.db2.gz JQPOJDPQDJLIBI-LLVKDONJSA-N 2 2 276.344 0.427 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1c1noc(CCn2cc[nH+]c2)n1 ZINC000547209319 390364209 /nfs/dbraw/zinc/36/42/09/390364209.db2.gz JQPOJDPQDJLIBI-LLVKDONJSA-N 2 2 276.344 0.427 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C[C@H](C)O1 ZINC000648154438 390316581 /nfs/dbraw/zinc/31/65/81/390316581.db2.gz AKEILCKRXVITRG-ITGHMWBKSA-N 2 2 281.400 0.304 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C[C@H](C)O1 ZINC000648154438 390316587 /nfs/dbraw/zinc/31/65/87/390316587.db2.gz AKEILCKRXVITRG-ITGHMWBKSA-N 2 2 281.400 0.304 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000648164323 390321371 /nfs/dbraw/zinc/32/13/71/390321371.db2.gz FGWDEIICMATHQT-NSHDSACASA-N 2 2 286.326 0.976 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1CC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000583990647 390331056 /nfs/dbraw/zinc/33/10/56/390331056.db2.gz CYMLLFWGSVOTCD-SOUVJXGZSA-N 2 2 267.417 0.876 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1CC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000583990647 390331058 /nfs/dbraw/zinc/33/10/58/390331058.db2.gz CYMLLFWGSVOTCD-SOUVJXGZSA-N 2 2 267.417 0.876 20 0 CCADLP CC[C@H]1C[NH+](C)CCN1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000583990647 390331060 /nfs/dbraw/zinc/33/10/60/390331060.db2.gz CYMLLFWGSVOTCD-SOUVJXGZSA-N 2 2 267.417 0.876 20 0 CCADLP CC[C@H]1C[NH+](C)CCN1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000583990647 390331063 /nfs/dbraw/zinc/33/10/63/390331063.db2.gz CYMLLFWGSVOTCD-SOUVJXGZSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@H](CC(=O)N1CC[N@H+](C)C[C@@H]1C)n1cc[nH+]c1 ZINC000584355055 390338521 /nfs/dbraw/zinc/33/85/21/390338521.db2.gz JIKGVCFXPGGLFP-NEPJUHHUSA-N 2 2 250.346 0.997 20 0 CCADLP C[C@H](CC(=O)N1CC[N@@H+](C)C[C@@H]1C)n1cc[nH+]c1 ZINC000584355055 390338522 /nfs/dbraw/zinc/33/85/22/390338522.db2.gz JIKGVCFXPGGLFP-NEPJUHHUSA-N 2 2 250.346 0.997 20 0 CCADLP O=C(NCCCCn1cc[nH+]c1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000584527590 390352306 /nfs/dbraw/zinc/35/23/06/390352306.db2.gz VNWYHYXVKCFHQG-GXTWGEPZSA-N 2 2 262.357 0.779 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@H]1[NH2+]CC1(C)C)[NH+]1CCOCC1 ZINC000645302730 390406618 /nfs/dbraw/zinc/40/66/18/390406618.db2.gz RNTNRQDKZMINOV-QWHCGFSZSA-N 2 2 283.416 0.457 20 0 CCADLP CC[C@@H](O)CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000645392987 390418754 /nfs/dbraw/zinc/41/87/54/390418754.db2.gz ABVSHINLHUPAMJ-CYBMUJFWSA-N 2 2 286.420 0.083 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](O)[C@@H]1CCCO1 ZINC000527958161 285375215 /nfs/dbraw/zinc/37/52/15/285375215.db2.gz VBADNFSLXRSREN-CABNGKKXSA-N 2 2 254.374 0.599 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](O)[C@@H]1CCCO1 ZINC000527958161 285375217 /nfs/dbraw/zinc/37/52/17/285375217.db2.gz VBADNFSLXRSREN-CABNGKKXSA-N 2 2 254.374 0.599 20 0 CCADLP CN1C[C@H](C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)OC1=O ZINC000496878297 390378750 /nfs/dbraw/zinc/37/87/50/390378750.db2.gz YZHFABZQDADCAL-CHWSQXEVSA-N 2 2 277.324 0.985 20 0 CCADLP CN1C[C@H](C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)OC1=O ZINC000496878297 390378754 /nfs/dbraw/zinc/37/87/54/390378754.db2.gz YZHFABZQDADCAL-CHWSQXEVSA-N 2 2 277.324 0.985 20 0 CCADLP Cn1cc[nH+]c1CNc1nc(N)[nH+]c2c1CCCC2 ZINC000645156944 390379263 /nfs/dbraw/zinc/37/92/63/390379263.db2.gz JRBVLDLFNQJNIL-UHFFFAOYSA-N 2 2 258.329 0.535 20 0 CCADLP C[NH2+]CC(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000645220514 390390110 /nfs/dbraw/zinc/39/01/10/390390110.db2.gz OKQIWQHISBETMU-UHFFFAOYSA-N 2 2 291.395 0.867 20 0 CCADLP COC(=O)[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000547727276 390394432 /nfs/dbraw/zinc/39/44/32/390394432.db2.gz XOCLOIBWXCOMKZ-GXFFZTMASA-N 2 2 263.341 0.987 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000496996256 390399563 /nfs/dbraw/zinc/39/95/63/390399563.db2.gz LHFUXVGVGGCHBS-NWDGAFQWSA-N 2 2 273.377 0.072 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000496996256 390399566 /nfs/dbraw/zinc/39/95/66/390399566.db2.gz LHFUXVGVGGCHBS-NWDGAFQWSA-N 2 2 273.377 0.072 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000496996256 390399570 /nfs/dbraw/zinc/39/95/70/390399570.db2.gz LHFUXVGVGGCHBS-NWDGAFQWSA-N 2 2 273.377 0.072 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000496996256 390399574 /nfs/dbraw/zinc/39/95/74/390399574.db2.gz LHFUXVGVGGCHBS-NWDGAFQWSA-N 2 2 273.377 0.072 20 0 CCADLP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000517231046 390488944 /nfs/dbraw/zinc/48/89/44/390488944.db2.gz OKWDJBXHFNSORV-JSGCOSHPSA-N 2 2 278.400 0.842 20 0 CCADLP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000517231046 390488946 /nfs/dbraw/zinc/48/89/46/390488946.db2.gz OKWDJBXHFNSORV-JSGCOSHPSA-N 2 2 278.400 0.842 20 0 CCADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C1CCCC1 ZINC000517225696 390489085 /nfs/dbraw/zinc/48/90/85/390489085.db2.gz AYRIZKXNINHIDJ-AAEUAGOBSA-N 2 2 268.405 0.849 20 0 CCADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C1CCCC1 ZINC000517225696 390489086 /nfs/dbraw/zinc/48/90/86/390489086.db2.gz AYRIZKXNINHIDJ-AAEUAGOBSA-N 2 2 268.405 0.849 20 0 CCADLP COC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000517567463 390489619 /nfs/dbraw/zinc/48/96/19/390489619.db2.gz QEIWXDCIYLZNSI-GHMZBOCLSA-N 2 2 256.346 0.235 20 0 CCADLP COC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000517567463 390489626 /nfs/dbraw/zinc/48/96/26/390489626.db2.gz QEIWXDCIYLZNSI-GHMZBOCLSA-N 2 2 256.346 0.235 20 0 CCADLP O=C(C[NH2+]C[C@@H]1CCCO1)NCCCCn1cc[nH+]c1 ZINC000519393523 390498200 /nfs/dbraw/zinc/49/82/00/390498200.db2.gz RXXAOZSBJYINIM-ZDUSSCGKSA-N 2 2 280.372 0.548 20 0 CCADLP C[C@H](CCCO)C[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000519400703 390499354 /nfs/dbraw/zinc/49/93/54/390499354.db2.gz MUFVHYDCARLYKA-TUVASFSCSA-N 2 2 288.432 0.455 20 0 CCADLP CCCN(CC[NH+](C)C)C(=O)Cc1c[nH+]cn1C ZINC000519450562 390502261 /nfs/dbraw/zinc/50/22/61/390502261.db2.gz NXLJBTPUKVYVJJ-UHFFFAOYSA-N 2 2 252.362 0.763 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000565411170 390510625 /nfs/dbraw/zinc/51/06/25/390510625.db2.gz JEIJWUPHDYTFFE-MELADBBJSA-N 2 2 296.415 0.243 20 0 CCADLP COCC[NH2+]CC[NH2+][C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000643516887 390458746 /nfs/dbraw/zinc/45/87/46/390458746.db2.gz JGKBBMJPIJUJHB-LBPRGKRZSA-N 2 2 290.371 0.549 20 0 CCADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C[C@@H](C)[NH3+] ZINC000643526933 390460456 /nfs/dbraw/zinc/46/04/56/390460456.db2.gz HREXGQAPRYKRAT-MNOVXSKESA-N 2 2 285.413 0.949 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC2CCC(F)(F)CC2)[C@@H](C[NH3+])C1 ZINC000516554914 390482314 /nfs/dbraw/zinc/48/23/14/390482314.db2.gz ZDOASOJFHBRFOH-NSHDSACASA-N 2 2 290.358 0.849 20 0 CCADLP C[N@H+]1CCN(C(=O)NC2CCC(F)(F)CC2)[C@@H](C[NH3+])C1 ZINC000516554914 390482318 /nfs/dbraw/zinc/48/23/18/390482318.db2.gz ZDOASOJFHBRFOH-NSHDSACASA-N 2 2 290.358 0.849 20 0 CCADLP C[C@H]1CCCN(c2cc(N3CCO[C@H](C[NH3+])C3)nc[nH+]2)C1 ZINC000521011132 390592214 /nfs/dbraw/zinc/59/22/14/390592214.db2.gz KHRHULCYGGVDJK-QWHCGFSZSA-N 2 2 291.399 0.877 20 0 CCADLP C[C@H]1CCCN(c2cc(N3CCO[C@H](C[NH3+])C3)[nH+]cn2)C1 ZINC000521011132 390592218 /nfs/dbraw/zinc/59/22/18/390592218.db2.gz KHRHULCYGGVDJK-QWHCGFSZSA-N 2 2 291.399 0.877 20 0 CCADLP CC1(C)C[NH+](CC(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000565665026 390534528 /nfs/dbraw/zinc/53/45/28/390534528.db2.gz IUPRSUDIIUTVET-UHFFFAOYSA-N 2 2 283.416 0.555 20 0 CCADLP CC1(C)C[NH+](CC(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000565665026 390534535 /nfs/dbraw/zinc/53/45/35/390534535.db2.gz IUPRSUDIIUTVET-UHFFFAOYSA-N 2 2 283.416 0.555 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@]1(C)CCC[NH2+]1)[NH+]1CCOCC1 ZINC000649284894 390549294 /nfs/dbraw/zinc/54/92/94/390549294.db2.gz JFECXEVQAIRDHO-ZFWWWQNUSA-N 2 2 283.416 0.602 20 0 CCADLP CC(=O)[C@](C)(O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000649287187 390551552 /nfs/dbraw/zinc/55/15/52/390551552.db2.gz LZPNEMQNVRBPPR-QWHCGFSZSA-N 2 2 251.330 0.860 20 0 CCADLP CC(=O)[C@](C)(O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000649287187 390551559 /nfs/dbraw/zinc/55/15/59/390551559.db2.gz LZPNEMQNVRBPPR-QWHCGFSZSA-N 2 2 251.330 0.860 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCSC[C@@H]1CC(=O)OC ZINC000565870912 390553683 /nfs/dbraw/zinc/55/36/83/390553683.db2.gz MXFFEMIZFOQABN-NWDGAFQWSA-N 2 2 290.429 0.280 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCSC[C@@H]1CC(=O)OC ZINC000565870912 390553686 /nfs/dbraw/zinc/55/36/86/390553686.db2.gz MXFFEMIZFOQABN-NWDGAFQWSA-N 2 2 290.429 0.280 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCSC[C@@H]1CC(=O)OC ZINC000565870912 390553689 /nfs/dbraw/zinc/55/36/89/390553689.db2.gz MXFFEMIZFOQABN-NWDGAFQWSA-N 2 2 290.429 0.280 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCSC[C@@H]1CC(=O)OC ZINC000565870912 390553692 /nfs/dbraw/zinc/55/36/92/390553692.db2.gz MXFFEMIZFOQABN-NWDGAFQWSA-N 2 2 290.429 0.280 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@]3(C)CC[NH2+]C3)C2)CC1 ZINC000645978242 390557499 /nfs/dbraw/zinc/55/74/99/390557499.db2.gz ZDMRUMHNMZETKA-CZUORRHYSA-N 3 2 294.443 0.271 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@]3(C)CC[NH2+]C3)C2)CC1 ZINC000645978242 390557501 /nfs/dbraw/zinc/55/75/01/390557501.db2.gz ZDMRUMHNMZETKA-CZUORRHYSA-N 3 2 294.443 0.271 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1[NH2+]CC1(C)C)Cn1cc[nH+]c1 ZINC000649302521 390561892 /nfs/dbraw/zinc/56/18/92/390561892.db2.gz WLDHJDTYEXOMST-MNOVXSKESA-N 2 2 250.346 0.633 20 0 CCADLP CC[C@H](O)[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000520248132 390562769 /nfs/dbraw/zinc/56/27/69/390562769.db2.gz QAPICDZZWTYCJU-KFWWJZLASA-N 2 2 288.432 0.551 20 0 CCADLP CC[C@H](O)[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000520248132 390562773 /nfs/dbraw/zinc/56/27/73/390562773.db2.gz QAPICDZZWTYCJU-KFWWJZLASA-N 2 2 288.432 0.551 20 0 CCADLP CC[C@H](O)[C@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)CCOC ZINC000520248132 390562777 /nfs/dbraw/zinc/56/27/77/390562777.db2.gz QAPICDZZWTYCJU-KFWWJZLASA-N 2 2 288.432 0.551 20 0 CCADLP CC[C@H](O)[C@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)CCOC ZINC000520248132 390562781 /nfs/dbraw/zinc/56/27/81/390562781.db2.gz QAPICDZZWTYCJU-KFWWJZLASA-N 2 2 288.432 0.551 20 0 CCADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)CCC(C)(C)[NH3+])no1 ZINC000649304247 390564477 /nfs/dbraw/zinc/56/44/77/390564477.db2.gz UAIGHZOEFSCRDE-UHFFFAOYSA-N 2 2 297.403 1.000 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)CC[C@@H]2CCC[NH2+]2)CCO1 ZINC000649312534 390572269 /nfs/dbraw/zinc/57/22/69/390572269.db2.gz XMUJGCVLFOVRAA-STQMWFEESA-N 2 2 269.389 0.356 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)CC[C@@H]2CCC[NH2+]2)CCO1 ZINC000649312534 390572271 /nfs/dbraw/zinc/57/22/71/390572271.db2.gz XMUJGCVLFOVRAA-STQMWFEESA-N 2 2 269.389 0.356 20 0 CCADLP Cc1ncncc1[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000566476446 390619440 /nfs/dbraw/zinc/61/94/40/390619440.db2.gz ZJHXJXPVHYTGND-WCQYABFASA-N 2 2 264.373 0.892 20 0 CCADLP Cc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cn1 ZINC000566491785 390622849 /nfs/dbraw/zinc/62/28/49/390622849.db2.gz YZSXEFHBQTUUCB-CHWSQXEVSA-N 2 2 260.341 0.134 20 0 CCADLP Cc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cn1 ZINC000566491785 390622853 /nfs/dbraw/zinc/62/28/53/390622853.db2.gz YZSXEFHBQTUUCB-CHWSQXEVSA-N 2 2 260.341 0.134 20 0 CCADLP C[C@@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C[NH+]1CCCC1 ZINC000566550759 390628084 /nfs/dbraw/zinc/62/80/84/390628084.db2.gz LQAVYJJORMKOKK-UONOGXRCSA-N 3 2 297.447 0.003 20 0 CCADLP C[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C[NH+]1CCCC1 ZINC000566550759 390628087 /nfs/dbraw/zinc/62/80/87/390628087.db2.gz LQAVYJJORMKOKK-UONOGXRCSA-N 3 2 297.447 0.003 20 0 CCADLP Cc1cc(=NC(=O)CC[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)[nH]o1 ZINC000566557134 390628267 /nfs/dbraw/zinc/62/82/67/390628267.db2.gz OSKOIBVTDKYACU-LBPRGKRZSA-N 2 2 292.383 0.807 20 0 CCADLP Cc1cc(=NC(=O)CC[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)[nH]o1 ZINC000566557134 390628271 /nfs/dbraw/zinc/62/82/71/390628271.db2.gz OSKOIBVTDKYACU-LBPRGKRZSA-N 2 2 292.383 0.807 20 0 CCADLP CC[NH+](CC)CCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000523121446 390633344 /nfs/dbraw/zinc/63/33/44/390633344.db2.gz VHYRWOOVFSUMOM-UHFFFAOYSA-N 2 2 288.355 0.734 20 0 CCADLP C[C@@H]([NH2+]C1CC1)C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000566677318 390638274 /nfs/dbraw/zinc/63/82/74/390638274.db2.gz PKTBBYIANOGLLD-SECBINFHSA-N 2 2 295.387 0.623 20 0 CCADLP [NH3+]C1(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCC1 ZINC000646265455 390653617 /nfs/dbraw/zinc/65/36/17/390653617.db2.gz ZJPOOYZDOTXAQP-LLVKDONJSA-N 2 2 260.341 0.658 20 0 CCADLP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000566893975 390657150 /nfs/dbraw/zinc/65/71/50/390657150.db2.gz LKNXANSHDCPILY-CHWSQXEVSA-N 2 2 276.384 0.904 20 0 CCADLP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000566893975 390657151 /nfs/dbraw/zinc/65/71/51/390657151.db2.gz LKNXANSHDCPILY-CHWSQXEVSA-N 2 2 276.384 0.904 20 0 CCADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccno1)CCO2 ZINC000646103268 390598288 /nfs/dbraw/zinc/59/82/88/390598288.db2.gz MVNXXBUQQAPNOD-UHFFFAOYSA-N 2 2 251.330 0.971 20 0 CCADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccno1)CCO2 ZINC000646103268 390598290 /nfs/dbraw/zinc/59/82/90/390598290.db2.gz MVNXXBUQQAPNOD-UHFFFAOYSA-N 2 2 251.330 0.971 20 0 CCADLP CCn1nncc1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106634 390599336 /nfs/dbraw/zinc/59/93/36/390599336.db2.gz IAIJZTDQCVFTHF-UHFFFAOYSA-N 2 2 279.388 0.595 20 0 CCADLP CCn1nncc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106634 390599340 /nfs/dbraw/zinc/59/93/40/390599340.db2.gz IAIJZTDQCVFTHF-UHFFFAOYSA-N 2 2 279.388 0.595 20 0 CCADLP CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000646112299 390603829 /nfs/dbraw/zinc/60/38/29/390603829.db2.gz MVMACFPRTYSJBD-LLVKDONJSA-N 2 2 290.289 0.884 20 0 CCADLP CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000646112299 390603832 /nfs/dbraw/zinc/60/38/32/390603832.db2.gz MVMACFPRTYSJBD-LLVKDONJSA-N 2 2 290.289 0.884 20 0 CCADLP [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000649369502 390608191 /nfs/dbraw/zinc/60/81/91/390608191.db2.gz MGVZXONPXUMOLE-GHMZBOCLSA-N 2 2 286.339 0.662 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000566452899 390611190 /nfs/dbraw/zinc/61/11/90/390611190.db2.gz LWFPTUBQWQVNCV-UONOGXRCSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC000566452899 390611193 /nfs/dbraw/zinc/61/11/93/390611193.db2.gz LWFPTUBQWQVNCV-UONOGXRCSA-N 2 2 283.416 0.507 20 0 CCADLP [NH3+]Cc1nnnn1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000567585724 390705084 /nfs/dbraw/zinc/70/50/84/390705084.db2.gz QOILJRXWXWXBAC-UHFFFAOYSA-N 2 2 288.355 0.012 20 0 CCADLP [NH3+]C1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000646664860 390706258 /nfs/dbraw/zinc/70/62/58/390706258.db2.gz UZUFJEPHSGOUSD-UHFFFAOYSA-N 2 2 286.339 0.662 20 0 CCADLP [NH3+]C[C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000646670097 390707107 /nfs/dbraw/zinc/70/71/07/390707107.db2.gz CBUJPYBGCQIDNY-GXTWGEPZSA-N 2 2 281.400 0.437 20 0 CCADLP [NH3+]C[C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000646670097 390707109 /nfs/dbraw/zinc/70/71/09/390707109.db2.gz CBUJPYBGCQIDNY-GXTWGEPZSA-N 2 2 281.400 0.437 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C(F)(F)F ZINC000646831872 390725201 /nfs/dbraw/zinc/72/52/01/390725201.db2.gz DBGCTFNRYKFYPV-HTQZYQBOSA-N 2 2 253.268 0.286 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C(F)(F)F ZINC000646831872 390725202 /nfs/dbraw/zinc/72/52/02/390725202.db2.gz DBGCTFNRYKFYPV-HTQZYQBOSA-N 2 2 253.268 0.286 20 0 CCADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646336124 390666872 /nfs/dbraw/zinc/66/68/72/390666872.db2.gz IYCGAZKXTPQYJA-LPEHRKFASA-N 2 2 259.300 0.194 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000567063416 390670411 /nfs/dbraw/zinc/67/04/11/390670411.db2.gz XLOUKSWWJPGPGJ-SECBINFHSA-N 2 2 275.312 0.126 20 0 CCADLP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@H]1CC[NH2+]1 ZINC000646441016 390682380 /nfs/dbraw/zinc/68/23/80/390682380.db2.gz UFLACSRWIALPAE-UPJWGTAASA-N 2 2 267.373 0.108 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)[C@H](C[NH3+])C1 ZINC000567361784 390695251 /nfs/dbraw/zinc/69/52/51/390695251.db2.gz KWKGWVAAMOHGAD-QLFBSQMISA-N 2 2 288.395 0.827 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)[C@H](C[NH3+])C1 ZINC000567361784 390695252 /nfs/dbraw/zinc/69/52/52/390695252.db2.gz KWKGWVAAMOHGAD-QLFBSQMISA-N 2 2 288.395 0.827 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2nnnn2CC2CC2)C1 ZINC000567406769 390698142 /nfs/dbraw/zinc/69/81/42/390698142.db2.gz RSWCBBLOTDKOFC-MNOVXSKESA-N 2 2 250.350 0.443 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C[NH+](C)C ZINC000646607180 390699479 /nfs/dbraw/zinc/69/94/79/390699479.db2.gz MECZYQWUXPDYPU-NWDGAFQWSA-N 2 2 264.373 0.759 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1)[C@H]1CCC[NH2+]1 ZINC000571872455 390756598 /nfs/dbraw/zinc/75/65/98/390756598.db2.gz CKYOSVOZIYQEGS-WUHRBBMRSA-N 2 2 269.389 0.352 20 0 CCADLP COc1ccc(F)c(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000571982216 390761970 /nfs/dbraw/zinc/76/19/70/390761970.db2.gz XMUWWSXHOPAESF-JTQLQIEISA-N 2 2 296.346 0.941 20 0 CCADLP Cc1nc(NCC(=O)NCC[NH+]2CCCCCC2)cc[nH+]1 ZINC000572125731 390769127 /nfs/dbraw/zinc/76/91/27/390769127.db2.gz HCZMRIMBZIYLOC-UHFFFAOYSA-N 2 2 291.399 0.611 20 0 CCADLP CSC[C@H](O)C[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000572322432 390778287 /nfs/dbraw/zinc/77/82/87/390778287.db2.gz AOTARYHRZGSTCV-GXTWGEPZSA-N 2 2 288.457 0.895 20 0 CCADLP CSC[C@H](O)C[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000572322432 390778291 /nfs/dbraw/zinc/77/82/91/390778291.db2.gz AOTARYHRZGSTCV-GXTWGEPZSA-N 2 2 288.457 0.895 20 0 CCADLP CO[C@H]1C[C@@H](c2nc(C3([NH3+])CCC3)no2)[N@H+](C)C1 ZINC000647141693 390779673 /nfs/dbraw/zinc/77/96/73/390779673.db2.gz HRAWEPIBDOOSKW-IUCAKERBSA-N 2 2 252.318 0.799 20 0 CCADLP CO[C@H]1C[C@@H](c2nc(C3([NH3+])CCC3)no2)[N@@H+](C)C1 ZINC000647141693 390779674 /nfs/dbraw/zinc/77/96/74/390779674.db2.gz HRAWEPIBDOOSKW-IUCAKERBSA-N 2 2 252.318 0.799 20 0 CCADLP CC[N@@H+]1CCO[C@@H](c2nc([C@@H]3CCC[NH2+]3)no2)C1 ZINC000647149739 390780430 /nfs/dbraw/zinc/78/04/30/390780430.db2.gz QTANNNUFMPRIII-VHSXEESVSA-N 2 2 252.318 0.887 20 0 CCADLP CC[N@H+]1CCO[C@@H](c2nc([C@@H]3CCC[NH2+]3)no2)C1 ZINC000647149739 390780432 /nfs/dbraw/zinc/78/04/32/390780432.db2.gz QTANNNUFMPRIII-VHSXEESVSA-N 2 2 252.318 0.887 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](CCCN2CCCC2=O)CC1 ZINC000572420923 390782657 /nfs/dbraw/zinc/78/26/57/390782657.db2.gz OGEKHRRACJWEJJ-UHFFFAOYSA-N 2 2 297.443 0.824 20 0 CCADLP COc1ncncc1C[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000647177945 390782925 /nfs/dbraw/zinc/78/29/25/390782925.db2.gz UBDRWBRTOQKCJA-LLVKDONJSA-N 2 2 259.313 0.786 20 0 CCADLP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+] ZINC000572499277 390786626 /nfs/dbraw/zinc/78/66/26/390786626.db2.gz MESBRQFVLLSTPS-STQMWFEESA-N 3 2 285.436 0.001 20 0 CCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+] ZINC000572499277 390786628 /nfs/dbraw/zinc/78/66/28/390786628.db2.gz MESBRQFVLLSTPS-STQMWFEESA-N 3 2 285.436 0.001 20 0 CCADLP CC[C@H](C)[NH+](C)CCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000572499277 390786630 /nfs/dbraw/zinc/78/66/30/390786630.db2.gz MESBRQFVLLSTPS-STQMWFEESA-N 3 2 285.436 0.001 20 0 CCADLP CC[C@H](C)[NH+](C)CCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000572499277 390786631 /nfs/dbraw/zinc/78/66/31/390786631.db2.gz MESBRQFVLLSTPS-STQMWFEESA-N 3 2 285.436 0.001 20 0 CCADLP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CO1 ZINC000647210548 390789719 /nfs/dbraw/zinc/78/97/19/390789719.db2.gz MSIVTBPGFOSQHC-AILVEWFUSA-N 2 2 295.427 0.837 20 0 CCADLP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CO1 ZINC000647210548 390789720 /nfs/dbraw/zinc/78/97/20/390789720.db2.gz MSIVTBPGFOSQHC-AILVEWFUSA-N 2 2 295.427 0.837 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)CCC(=O)N1CC[NH2+]CC1 ZINC000572608423 390792329 /nfs/dbraw/zinc/79/23/29/390792329.db2.gz CJXKGAKLYPIMOK-UHFFFAOYSA-N 3 2 279.388 0.027 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)CCC(=O)N1CC[NH2+]CC1 ZINC000572608423 390792331 /nfs/dbraw/zinc/79/23/31/390792331.db2.gz CJXKGAKLYPIMOK-UHFFFAOYSA-N 3 2 279.388 0.027 20 0 CCADLP CCc1cccc(OC[C@H](O)C[NH2+]C[C@@H](O)C[NH+](C)C)c1 ZINC000572643168 390794591 /nfs/dbraw/zinc/79/45/91/390794591.db2.gz LLTNFWICZGCEOM-HUUCEWRRSA-N 2 2 296.411 0.501 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCCc2ncn(C)n2)n1C ZINC000647231708 390795095 /nfs/dbraw/zinc/79/50/95/390795095.db2.gz LJZRJFAYKPSEGD-UHFFFAOYSA-N 2 2 277.376 0.337 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529300744 390802849 /nfs/dbraw/zinc/80/28/49/390802849.db2.gz FFPZMRHPKLCTKI-OLZOCXBDSA-N 2 2 296.415 0.291 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529300744 390802850 /nfs/dbraw/zinc/80/28/50/390802850.db2.gz FFPZMRHPKLCTKI-OLZOCXBDSA-N 2 2 296.415 0.291 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000528450091 390745118 /nfs/dbraw/zinc/74/51/18/390745118.db2.gz KJOAJQCMWCSOSI-UHFFFAOYSA-N 2 2 280.372 0.107 20 0 CCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000577998889 390857725 /nfs/dbraw/zinc/85/77/25/390857725.db2.gz TVRFHOLTBBYMMP-ZDUSSCGKSA-N 2 2 291.399 0.933 20 0 CCADLP O=C1C[C@H]([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CN1C1CC1 ZINC000578185564 390868537 /nfs/dbraw/zinc/86/85/37/390868537.db2.gz WLFQIIXHVYWOFP-LNSITVRQSA-N 2 2 279.384 0.106 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000578197820 390870050 /nfs/dbraw/zinc/87/00/50/390870050.db2.gz ZRBRYWKAEGHWQP-CHWSQXEVSA-N 2 2 280.372 0.671 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2CCOC[C@H]2C)C[C@H](C)O1 ZINC000578301002 390875673 /nfs/dbraw/zinc/87/56/73/390875673.db2.gz PBTBMOGZKIXNAS-UXXRCYHCSA-N 2 2 286.416 0.471 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2CCOC[C@H]2C)C[C@H](C)O1 ZINC000578301002 390875676 /nfs/dbraw/zinc/87/56/76/390875676.db2.gz PBTBMOGZKIXNAS-UXXRCYHCSA-N 2 2 286.416 0.471 20 0 CCADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cc2n(n1)CCCC2 ZINC000647300237 390809711 /nfs/dbraw/zinc/80/97/11/390809711.db2.gz ZSGOPERPGBMKBU-IUODEOHRSA-N 2 2 278.400 0.937 20 0 CCADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cc2n(n1)CCCC2 ZINC000647300237 390809715 /nfs/dbraw/zinc/80/97/15/390809715.db2.gz ZSGOPERPGBMKBU-IUODEOHRSA-N 2 2 278.400 0.937 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000572943452 390812577 /nfs/dbraw/zinc/81/25/77/390812577.db2.gz UYNPPPRHFZTFFH-QWHCGFSZSA-N 2 2 284.404 0.148 20 0 CCADLP C[C@@H]1CN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)[C@H](C)C[NH2+]1 ZINC000572958211 390812948 /nfs/dbraw/zinc/81/29/48/390812948.db2.gz NQSCCZHWKCWSCC-GMTAPVOTSA-N 2 2 277.372 0.309 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529364596 390819401 /nfs/dbraw/zinc/81/94/01/390819401.db2.gz ICCFJMYDRZOLDG-CYBMUJFWSA-N 2 2 296.415 0.245 20 0 CCADLP CC[NH+]1CCC(NC[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000574911851 390823340 /nfs/dbraw/zinc/82/33/40/390823340.db2.gz GMJAFBLLJLGORQ-LZWOXQAQSA-N 2 2 299.459 0.530 20 0 CCADLP CC[NH+]1CCC(NC[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000574911851 390823343 /nfs/dbraw/zinc/82/33/43/390823343.db2.gz GMJAFBLLJLGORQ-LZWOXQAQSA-N 2 2 299.459 0.530 20 0 CCADLP C[C@H]1C[NH2+]C[C@H]([NH2+]CCN2CCOC(C)(C)C2)C1 ZINC000647550385 390839827 /nfs/dbraw/zinc/83/98/27/390839827.db2.gz OHAWYXUIURIHCK-CHWSQXEVSA-N 2 2 255.406 0.685 20 0 CCADLP C[C@H]1C[NH2+]C[C@H](NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000647550385 390839830 /nfs/dbraw/zinc/83/98/30/390839830.db2.gz OHAWYXUIURIHCK-CHWSQXEVSA-N 2 2 255.406 0.685 20 0 CCADLP C[C@H]1C[NH2+]C[C@H](NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000647550385 390839833 /nfs/dbraw/zinc/83/98/33/390839833.db2.gz OHAWYXUIURIHCK-CHWSQXEVSA-N 2 2 255.406 0.685 20 0 CCADLP COC[C@@]1(CNC(=O)[C@H]([NH3+])c2cscn2)CCC[NH2+]1 ZINC000578435100 390882851 /nfs/dbraw/zinc/88/28/51/390882851.db2.gz POPQUOZHOUASQK-PWSUYJOCSA-N 2 2 284.385 0.028 20 0 CCADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)Nc1ccncc1 ZINC000532651136 390883269 /nfs/dbraw/zinc/88/32/69/390883269.db2.gz KEYUTOZYHLPWOI-UHFFFAOYSA-N 2 2 285.351 0.976 20 0 CCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533867747 390886767 /nfs/dbraw/zinc/88/67/67/390886767.db2.gz WLQYGPIQOBUGRA-GFCCVEGCSA-N 2 2 264.373 0.982 20 0 CCADLP CC(C)CNC(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533867747 390886769 /nfs/dbraw/zinc/88/67/69/390886769.db2.gz WLQYGPIQOBUGRA-GFCCVEGCSA-N 2 2 264.373 0.982 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533866265 390887276 /nfs/dbraw/zinc/88/72/76/390887276.db2.gz WMOIPTQLOMHBDL-SNVBAGLBSA-N 2 2 279.344 0.055 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533866265 390887279 /nfs/dbraw/zinc/88/72/79/390887279.db2.gz WMOIPTQLOMHBDL-SNVBAGLBSA-N 2 2 279.344 0.055 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)C[NH+](C)[C@@H]1CCSC1 ZINC000578570611 390892786 /nfs/dbraw/zinc/89/27/86/390892786.db2.gz CLQOVNLSXXXENH-CHWSQXEVSA-N 2 2 285.457 0.976 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)C[NH+](C)[C@@H]1CCSC1 ZINC000578570611 390892787 /nfs/dbraw/zinc/89/27/87/390892787.db2.gz CLQOVNLSXXXENH-CHWSQXEVSA-N 2 2 285.457 0.976 20 0 CCADLP CC[C@@H]1C[NH+](C)CCN1C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000578570611 390892790 /nfs/dbraw/zinc/89/27/90/390892790.db2.gz CLQOVNLSXXXENH-CHWSQXEVSA-N 2 2 285.457 0.976 20 0 CCADLP CC[C@@H]1C[NH+](C)CCN1C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000578570611 390892792 /nfs/dbraw/zinc/89/27/92/390892792.db2.gz CLQOVNLSXXXENH-CHWSQXEVSA-N 2 2 285.457 0.976 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC(=O)N(C)C2)C[N@@H+]1C1CC1 ZINC000657695735 413049277 /nfs/dbraw/zinc/04/92/77/413049277.db2.gz CXYBRCAUAYTQHD-GRYCIOLGSA-N 2 2 251.374 0.680 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC(=O)N(C)C2)C[N@H+]1C1CC1 ZINC000657695735 413049281 /nfs/dbraw/zinc/04/92/81/413049281.db2.gz CXYBRCAUAYTQHD-GRYCIOLGSA-N 2 2 251.374 0.680 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccncc3)C[C@@H]21 ZINC000342077303 130240017 /nfs/dbraw/zinc/24/00/17/130240017.db2.gz BEAZJYMEYWNHQZ-FPMFFAJLSA-N 2 2 274.368 0.501 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccncc3)C[C@@H]21 ZINC000342077303 130240019 /nfs/dbraw/zinc/24/00/19/130240019.db2.gz BEAZJYMEYWNHQZ-FPMFFAJLSA-N 2 2 274.368 0.501 20 0 CCADLP Cc1csc(NC(=O)C[NH2+]CC2([NH3+])CCC2)n1 ZINC000342089836 130304015 /nfs/dbraw/zinc/30/40/15/130304015.db2.gz BMSLBETZUDWIAJ-UHFFFAOYSA-N 2 2 254.359 0.861 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(c2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000275746912 135112213 /nfs/dbraw/zinc/11/22/13/135112213.db2.gz COPSPKCJSAGICQ-GFCCVEGCSA-N 2 2 291.399 0.801 20 0 CCADLP OCC(CO)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000356845055 144037696 /nfs/dbraw/zinc/03/76/96/144037696.db2.gz ICHBUTSZYBPYQW-UHFFFAOYSA-N 2 2 270.295 0.346 20 0 CCADLP CN(C)C(=O)c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)[nH]1 ZINC000357045674 144053249 /nfs/dbraw/zinc/05/32/49/144053249.db2.gz HZZONXLOIWTTQA-NWDGAFQWSA-N 2 2 276.384 0.758 20 0 CCADLP CN(C)C(=O)c1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)[nH]1 ZINC000357045674 144053251 /nfs/dbraw/zinc/05/32/51/144053251.db2.gz HZZONXLOIWTTQA-NWDGAFQWSA-N 2 2 276.384 0.758 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCCCC[NH+]1CCOCC1 ZINC000357306881 144080819 /nfs/dbraw/zinc/08/08/19/144080819.db2.gz QTVLAKLIXAMEHL-UHFFFAOYSA-N 2 2 294.399 0.581 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357644217 144107933 /nfs/dbraw/zinc/10/79/33/144107933.db2.gz HAYPCMMLQGQVFJ-LLVKDONJSA-N 2 2 269.389 0.042 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357644217 144107935 /nfs/dbraw/zinc/10/79/35/144107935.db2.gz HAYPCMMLQGQVFJ-LLVKDONJSA-N 2 2 269.389 0.042 20 0 CCADLP CC(C)NC(=O)CC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357654296 144109695 /nfs/dbraw/zinc/10/96/95/144109695.db2.gz ZLPNOCXQDVTDPX-UHFFFAOYSA-N 2 2 271.405 0.290 20 0 CCADLP CC(C)NC(=O)CC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357654296 144109696 /nfs/dbraw/zinc/10/96/96/144109696.db2.gz ZLPNOCXQDVTDPX-UHFFFAOYSA-N 2 2 271.405 0.290 20 0 CCADLP COCC[NH+]1CCC(NC(=O)NCc2c[nH+]cn2C)CC1 ZINC000357978328 144139892 /nfs/dbraw/zinc/13/98/92/144139892.db2.gz BBDMNPFLXYFAGY-UHFFFAOYSA-N 2 2 295.387 0.330 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000357985237 144140174 /nfs/dbraw/zinc/14/01/74/144140174.db2.gz JNLJPWZQQJDHHF-QWRGUYRKSA-N 2 2 279.388 0.906 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000357985237 144140175 /nfs/dbraw/zinc/14/01/75/144140175.db2.gz JNLJPWZQQJDHHF-QWRGUYRKSA-N 2 2 279.388 0.906 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCNC(=O)c1ccco1 ZINC000358054883 144146565 /nfs/dbraw/zinc/14/65/65/144146565.db2.gz AEGMIIMHOLYHMQ-GHMZBOCLSA-N 2 2 251.330 0.549 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCNC(=O)c1ccco1 ZINC000358054883 144146566 /nfs/dbraw/zinc/14/65/66/144146566.db2.gz AEGMIIMHOLYHMQ-GHMZBOCLSA-N 2 2 251.330 0.549 20 0 CCADLP O=C(NCC[C@H]1CCC[NH2+]C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000368486703 144227595 /nfs/dbraw/zinc/22/75/95/144227595.db2.gz OVLPRWRYUWEZNQ-ZJUUUORDSA-N 2 2 261.316 0.490 20 0 CCADLP Cc1nc(N2CCC[C@@H]([NH+]3CCCC3)C2)nc(N)[nH+]1 ZINC000382539968 397491532 /nfs/dbraw/zinc/49/15/32/397491532.db2.gz UMBSDHCJYHGPPZ-LLVKDONJSA-N 2 2 262.361 0.657 20 0 CCADLP CCCNC(=O)[C@@H](C)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000369359960 144265027 /nfs/dbraw/zinc/26/50/27/144265027.db2.gz UDGVKAXSZOACED-HUUCEWRRSA-N 2 2 296.459 0.613 20 0 CCADLP CCCNC(=O)[C@@H](C)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000369359960 144265029 /nfs/dbraw/zinc/26/50/29/144265029.db2.gz UDGVKAXSZOACED-HUUCEWRRSA-N 2 2 296.459 0.613 20 0 CCADLP Cc1nc(N2CCC[C@H]([NH+]3CCCC3)C2)nc(N)[nH+]1 ZINC000382539971 397492083 /nfs/dbraw/zinc/49/20/83/397492083.db2.gz UMBSDHCJYHGPPZ-NSHDSACASA-N 2 2 262.361 0.657 20 0 CCADLP O=C([C@H]1C[C@]12CC[NH2+]C2)N1CCN(c2cccc[nH+]2)CC1 ZINC000369804460 144280245 /nfs/dbraw/zinc/28/02/45/144280245.db2.gz GTBYLDLCBBJIOY-CJNGLKHVSA-N 2 2 286.379 0.730 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372992081 144388190 /nfs/dbraw/zinc/38/81/90/144388190.db2.gz WMCXMWCOZVXONL-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372992081 144388191 /nfs/dbraw/zinc/38/81/91/144388191.db2.gz WMCXMWCOZVXONL-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC000615549525 397586819 /nfs/dbraw/zinc/58/68/19/397586819.db2.gz WGHNDTICBIGBQO-CABCVRRESA-N 2 2 297.443 0.896 20 0 CCADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2nnnn2C2CC2)C[C@@H]1C[NH3+] ZINC000397440666 397522081 /nfs/dbraw/zinc/52/20/81/397522081.db2.gz FLTOAIMHDUYLAV-MXWKQRLJSA-N 2 2 264.377 0.813 20 0 CCADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nnnn2C2CC2)C[C@@H]1C[NH3+] ZINC000397440666 397522085 /nfs/dbraw/zinc/52/20/85/397522085.db2.gz FLTOAIMHDUYLAV-MXWKQRLJSA-N 2 2 264.377 0.813 20 0 CCADLP CC(C)OCCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649688047 397656788 /nfs/dbraw/zinc/65/67/88/397656788.db2.gz PBIZTSIUHQYNNF-UHFFFAOYSA-N 2 2 271.405 0.507 20 0 CCADLP CC(C)OCCC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649688047 397656792 /nfs/dbraw/zinc/65/67/92/397656792.db2.gz PBIZTSIUHQYNNF-UHFFFAOYSA-N 2 2 271.405 0.507 20 0 CCADLP COCC[N@@H+]1CCN(Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000649849671 397673802 /nfs/dbraw/zinc/67/38/02/397673802.db2.gz FWNLTCVFNUKZIF-UHFFFAOYSA-N 2 2 266.389 0.963 20 0 CCADLP COCC[N@H+]1CCN(Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000649849671 397673803 /nfs/dbraw/zinc/67/38/03/397673803.db2.gz FWNLTCVFNUKZIF-UHFFFAOYSA-N 2 2 266.389 0.963 20 0 CCADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CCN1CCCCC1 ZINC000649890082 397680697 /nfs/dbraw/zinc/68/06/97/397680697.db2.gz WSGPLPATWSRAQN-UHFFFAOYSA-N 2 2 296.459 0.568 20 0 CCADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CCN1CCCCC1 ZINC000649890082 397680699 /nfs/dbraw/zinc/68/06/99/397680699.db2.gz WSGPLPATWSRAQN-UHFFFAOYSA-N 2 2 296.459 0.568 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](n2cc(CO)nn2)C1 ZINC000650725162 397749492 /nfs/dbraw/zinc/74/94/92/397749492.db2.gz UTEWGHBYVXDRIB-DGCLKSJQSA-N 2 2 267.377 0.391 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@@H](n2cc(CO)nn2)C1 ZINC000650725162 397749497 /nfs/dbraw/zinc/74/94/97/397749497.db2.gz UTEWGHBYVXDRIB-DGCLKSJQSA-N 2 2 267.377 0.391 20 0 CCADLP C[C@@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)S(C)(=O)=O ZINC000544706197 285840625 /nfs/dbraw/zinc/84/06/25/285840625.db2.gz KIUUFXQIURDDQB-JTQLQIEISA-N 2 2 271.386 0.670 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCC1([NH+](C)C)CCCC1 ZINC000422785241 285888647 /nfs/dbraw/zinc/88/86/47/285888647.db2.gz NBXCBXKEEHBZJD-CHWSQXEVSA-N 2 2 283.416 0.744 20 0 CCADLP COC1CC([NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C1 ZINC000547423953 285940625 /nfs/dbraw/zinc/94/06/25/285940625.db2.gz AHQRAOHUCFDHSA-WXRRBKDZSA-N 2 2 292.383 0.678 20 0 CCADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Cc1c[nH+]cn1C ZINC000548383389 286031784 /nfs/dbraw/zinc/03/17/84/286031784.db2.gz DRVYQUYJIWQBPO-GFCCVEGCSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Cc1c[nH+]cn1C ZINC000548383389 286031785 /nfs/dbraw/zinc/03/17/85/286031785.db2.gz DRVYQUYJIWQBPO-GFCCVEGCSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCc1c[nH+]cn1C ZINC000548460097 286038735 /nfs/dbraw/zinc/03/87/35/286038735.db2.gz QOBRPMIJNZVQKO-VXGBXAGGSA-N 2 2 264.373 0.952 20 0 CCADLP C[C@H](CNC(=O)C(C)(C)c1c[nH]c[nH+]1)N1CC[NH+](C)CC1 ZINC000548742214 286064059 /nfs/dbraw/zinc/06/40/59/286064059.db2.gz SBTNDFRBGJBVGX-GFCCVEGCSA-N 2 2 293.415 0.439 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000548813142 286070723 /nfs/dbraw/zinc/07/07/23/286070723.db2.gz HJFORQYIXIDIKC-ZDUSSCGKSA-N 2 2 271.324 0.451 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000549830159 286101143 /nfs/dbraw/zinc/10/11/43/286101143.db2.gz QLOXXNDUYCCBMH-AWEZNQCLSA-N 2 2 290.371 0.612 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000549830159 286101144 /nfs/dbraw/zinc/10/11/44/286101144.db2.gz QLOXXNDUYCCBMH-AWEZNQCLSA-N 2 2 290.371 0.612 20 0 CCADLP C[NH+](C)[C@@H](C[NH2+]CCC(=O)NC(N)=O)Cc1ccccc1 ZINC000551389430 286119041 /nfs/dbraw/zinc/11/90/41/286119041.db2.gz GFUUAIODRNKAAX-CYBMUJFWSA-N 2 2 292.383 0.334 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2CC[NH+](C)C3)C1 ZINC000552143697 286155028 /nfs/dbraw/zinc/15/50/28/286155028.db2.gz DOUUYAQDARPHCI-YNEHKIRRSA-N 2 2 267.373 0.012 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2CC[NH+](C)C3)C1 ZINC000552143697 286155029 /nfs/dbraw/zinc/15/50/29/286155029.db2.gz DOUUYAQDARPHCI-YNEHKIRRSA-N 2 2 267.373 0.012 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)C1 ZINC000552143697 286155032 /nfs/dbraw/zinc/15/50/32/286155032.db2.gz DOUUYAQDARPHCI-YNEHKIRRSA-N 2 2 267.373 0.012 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)C1 ZINC000552143697 286155035 /nfs/dbraw/zinc/15/50/35/286155035.db2.gz DOUUYAQDARPHCI-YNEHKIRRSA-N 2 2 267.373 0.012 20 0 CCADLP C[C@@H]([NH2+]CCC[NH+](C)C)c1cccc(S(N)(=O)=O)c1 ZINC000037213621 287023368 /nfs/dbraw/zinc/02/33/68/287023368.db2.gz LGJSJNGVVYWPDH-LLVKDONJSA-N 2 2 285.413 0.936 20 0 CCADLP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)[C@H]1CCCC[NH2+]1 ZINC000422709732 287034845 /nfs/dbraw/zinc/03/48/45/287034845.db2.gz DVWXFBTZWCNDTA-ARFHVFGLSA-N 3 2 282.476 0.990 20 0 CCADLP C[N@H+](CCC[NH3+])CC(=O)N1CCc2ccccc2C1 ZINC000123284809 411711136 /nfs/dbraw/zinc/71/11/36/411711136.db2.gz KTXRJLCXXAFEQO-UHFFFAOYSA-N 2 2 261.369 0.852 20 0 CCADLP C[N@@H+](CCC[NH3+])CC(=O)N1CCc2ccccc2C1 ZINC000123284809 411711141 /nfs/dbraw/zinc/71/11/41/411711141.db2.gz KTXRJLCXXAFEQO-UHFFFAOYSA-N 2 2 261.369 0.852 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@](C)(CO)c1ccccc1 ZINC000314907700 411757543 /nfs/dbraw/zinc/75/75/43/411757543.db2.gz OAGIFRAFMMUJNF-HOTGVXAUSA-N 2 2 296.411 0.423 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@](C)(CO)c1ccccc1 ZINC000314907700 411757547 /nfs/dbraw/zinc/75/75/47/411757547.db2.gz OAGIFRAFMMUJNF-HOTGVXAUSA-N 2 2 296.411 0.423 20 0 CCADLP COC[C@@H](CC(C)(C)C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000651690554 411919668 /nfs/dbraw/zinc/91/96/68/411919668.db2.gz KTEDPMNYGBUQGD-CYBMUJFWSA-N 2 2 285.432 0.801 20 0 CCADLP COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000651950277 411968120 /nfs/dbraw/zinc/96/81/20/411968120.db2.gz NOPVUHCRDANNGF-CHWSQXEVSA-N 2 2 261.325 0.916 20 0 CCADLP COC[C@H]1C[C@@H](O)C[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000651950277 411968122 /nfs/dbraw/zinc/96/81/22/411968122.db2.gz NOPVUHCRDANNGF-CHWSQXEVSA-N 2 2 261.325 0.916 20 0 CCADLP CCOc1ccnc(N2CCC[N@H+](C[C@@H](C)[NH3+])CC2)n1 ZINC000652343710 412034558 /nfs/dbraw/zinc/03/45/58/412034558.db2.gz JMSZEPOGACAJPQ-GFCCVEGCSA-N 2 2 279.388 0.735 20 0 CCADLP CCOc1ccnc(N2CCC[N@@H+](C[C@@H](C)[NH3+])CC2)n1 ZINC000652343710 412034562 /nfs/dbraw/zinc/03/45/62/412034562.db2.gz JMSZEPOGACAJPQ-GFCCVEGCSA-N 2 2 279.388 0.735 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)n(C)n1 ZINC000652352103 412036819 /nfs/dbraw/zinc/03/68/19/412036819.db2.gz FLRXLGDOYLPJKS-WFASDCNBSA-N 2 2 291.399 0.728 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)n(C)n1 ZINC000652352103 412036826 /nfs/dbraw/zinc/03/68/26/412036826.db2.gz FLRXLGDOYLPJKS-WFASDCNBSA-N 2 2 291.399 0.728 20 0 CCADLP Cn1ncnc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652363981 412039810 /nfs/dbraw/zinc/03/98/10/412039810.db2.gz UAAFLSOKIBSZBP-UPJWGTAASA-N 2 2 279.388 0.676 20 0 CCADLP Cn1ncnc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652363981 412039813 /nfs/dbraw/zinc/03/98/13/412039813.db2.gz UAAFLSOKIBSZBP-UPJWGTAASA-N 2 2 279.388 0.676 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000653050165 412201130 /nfs/dbraw/zinc/20/11/30/412201130.db2.gz GDQYHUKATCNKGL-CYBMUJFWSA-N 3 2 276.384 0.550 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc2n[nH]cc2c1 ZINC000653058648 412205258 /nfs/dbraw/zinc/20/52/58/412205258.db2.gz AHWSLAMWVQXZAA-LLVKDONJSA-N 2 2 261.329 0.780 20 0 CCADLP Cc1cccc(OCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000653060547 412205601 /nfs/dbraw/zinc/20/56/01/412205601.db2.gz HLENFYGPABJZFC-AWEZNQCLSA-N 2 2 279.384 0.769 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000653058425 412206469 /nfs/dbraw/zinc/20/64/69/412206469.db2.gz SSCQSNVEBAGTOZ-NEPJUHHUSA-N 2 2 293.367 0.222 20 0 CCADLP Cc1ccsc1CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653064824 412207129 /nfs/dbraw/zinc/20/71/29/412207129.db2.gz HJYYIGBIDPCIGY-SNVBAGLBSA-N 2 2 255.387 0.952 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1cccc(F)c1 ZINC000653064915 412207783 /nfs/dbraw/zinc/20/77/83/412207783.db2.gz KNRMVFMTHNYICU-GFCCVEGCSA-N 2 2 253.321 0.721 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCc2ccc(O)cc2C1 ZINC000653072727 412208353 /nfs/dbraw/zinc/20/83/53/412208353.db2.gz CRYUALFRIBSYNR-AWEZNQCLSA-N 2 2 277.368 0.556 20 0 CCADLP COCCN(CC(C)C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653071445 412208370 /nfs/dbraw/zinc/20/83/70/412208370.db2.gz HWKNGJAFFHSKNK-LBPRGKRZSA-N 2 2 259.394 0.396 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCC(=O)N1CCCCCC1 ZINC000653082485 412211125 /nfs/dbraw/zinc/21/11/25/412211125.db2.gz WSOXYNFEDGKFSR-ZDUSSCGKSA-N 2 2 298.431 0.174 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(-c2ncon2)cc1 ZINC000653082096 412211919 /nfs/dbraw/zinc/21/19/19/412211919.db2.gz IYYAGHDNIZXRBP-LBPRGKRZSA-N 2 2 289.339 0.954 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C[C@@H](C)S1 ZINC000653080349 412212024 /nfs/dbraw/zinc/21/20/24/412212024.db2.gz CPMMJCZPXOCHLL-GMTAPVOTSA-N 2 2 259.419 0.618 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCOc2cc(F)ccc21 ZINC000653091946 412215978 /nfs/dbraw/zinc/21/59/78/412215978.db2.gz NSWKLVAHOFWSRX-LLVKDONJSA-N 2 2 281.331 0.830 20 0 CCADLP C[C@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)Oc1cccc(F)c1 ZINC000653096178 412216777 /nfs/dbraw/zinc/21/67/77/412216777.db2.gz FVYNDBCIRBFQAD-BXUZGUMPSA-N 2 2 297.374 0.988 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC1(CO)CCCCC1 ZINC000653095757 412217595 /nfs/dbraw/zinc/21/75/95/412217595.db2.gz UTORBOWBNJCCCM-LBPRGKRZSA-N 2 2 271.405 0.324 20 0 CCADLP Cn1c2cccc(F)c2nc1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653098177 412217695 /nfs/dbraw/zinc/21/76/95/412217695.db2.gz DJXHPUDXGLTTRD-SNVBAGLBSA-N 2 2 293.346 0.930 20 0 CCADLP CCO[C@@H](CCNC(=O)[C@H]([NH3+])CC[NH+](C)C)C(C)C ZINC000653101612 412218360 /nfs/dbraw/zinc/21/83/60/412218360.db2.gz ADJKMRIOPHPCQM-OLZOCXBDSA-N 2 2 273.421 0.833 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CCS1 ZINC000653101704 412219042 /nfs/dbraw/zinc/21/90/42/412219042.db2.gz DINXDOKFCOYJJJ-RYUDHWBXSA-N 2 2 273.446 0.865 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCC[NH+]1CCCCCC1 ZINC000653105602 412220137 /nfs/dbraw/zinc/22/01/37/412220137.db2.gz BSMCLYRZUJYICF-AWEZNQCLSA-N 3 2 284.448 0.648 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCC1CC[NH+](C)CC1 ZINC000653113693 412226300 /nfs/dbraw/zinc/22/63/00/412226300.db2.gz LPWJAGUEMMGYCC-CYBMUJFWSA-N 3 2 270.421 0.114 20 0 CCADLP CN(C)c1nc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)cs1 ZINC000653120215 412230435 /nfs/dbraw/zinc/23/04/35/412230435.db2.gz KCZQRKCAMIQTAN-SNVBAGLBSA-N 2 2 285.417 0.104 20 0 CCADLP Cc1nc(C)c(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)s1 ZINC000653120945 412230724 /nfs/dbraw/zinc/23/07/24/412230724.db2.gz IGVJBLHMHSXMNU-JTQLQIEISA-N 2 2 270.402 0.655 20 0 CCADLP [NH3+][C@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)C1CC1 ZINC000653127719 412234232 /nfs/dbraw/zinc/23/42/32/412234232.db2.gz XPWXCINGSIUCQR-GFCCVEGCSA-N 2 2 262.357 0.615 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000653133890 412236588 /nfs/dbraw/zinc/23/65/88/412236588.db2.gz FCYXAZXFCOCAOX-TZMCWYRMSA-N 2 2 288.395 0.972 20 0 CCADLP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653138227 412237082 /nfs/dbraw/zinc/23/70/82/412237082.db2.gz OSCOKMXMNQUTOZ-AAEUAGOBSA-N 2 2 294.374 0.920 20 0 CCADLP CCOC[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C(C)C ZINC000653151314 412242869 /nfs/dbraw/zinc/24/28/69/412242869.db2.gz CNCRMDWKJNWFHA-VXGBXAGGSA-N 2 2 259.394 0.443 20 0 CCADLP CCC[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CCO1 ZINC000653151161 412243844 /nfs/dbraw/zinc/24/38/44/412243844.db2.gz YXRNIMXAWZNYMB-VXGBXAGGSA-N 2 2 257.378 0.293 20 0 CCADLP CCCN(CC[NH+](C)C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653168500 412250505 /nfs/dbraw/zinc/25/05/05/412250505.db2.gz CZZHQNAFYSMURB-LBPRGKRZSA-N 3 2 258.410 0.066 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@@H](CC)CO1 ZINC000653177334 412253876 /nfs/dbraw/zinc/25/38/76/412253876.db2.gz UQGHUNXNTDHUEL-YNEHKIRRSA-N 2 2 271.405 0.681 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@]2(CCOC2)C1 ZINC000653568512 412319822 /nfs/dbraw/zinc/31/98/22/412319822.db2.gz YTZFPNMITBOJEQ-UONOGXRCSA-N 2 2 272.389 0.038 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@]2(CCOC2)C1 ZINC000653568512 412319826 /nfs/dbraw/zinc/31/98/26/412319826.db2.gz YTZFPNMITBOJEQ-UONOGXRCSA-N 2 2 272.389 0.038 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000653568512 412319829 /nfs/dbraw/zinc/31/98/29/412319829.db2.gz YTZFPNMITBOJEQ-UONOGXRCSA-N 2 2 272.389 0.038 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000653568512 412319832 /nfs/dbraw/zinc/31/98/32/412319832.db2.gz YTZFPNMITBOJEQ-UONOGXRCSA-N 2 2 272.389 0.038 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C(=O)N1CCCC1)C(C)C ZINC000653605078 412324845 /nfs/dbraw/zinc/32/48/45/412324845.db2.gz FVTCASPMVGZWBH-KBPBESRZSA-N 2 2 285.432 0.536 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C(=O)N1CCCC1)C(C)C ZINC000653605078 412324846 /nfs/dbraw/zinc/32/48/46/412324846.db2.gz FVTCASPMVGZWBH-KBPBESRZSA-N 2 2 285.432 0.536 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)CC[C@@H]1CCCO1 ZINC000653635771 412327715 /nfs/dbraw/zinc/32/77/15/412327715.db2.gz CIKKFHOPNFVOEQ-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)CC[C@@H]1CCCO1 ZINC000653635771 412327717 /nfs/dbraw/zinc/32/77/17/412327717.db2.gz CIKKFHOPNFVOEQ-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)CC[C@@H]1CCCO1 ZINC000653635771 412327720 /nfs/dbraw/zinc/32/77/20/412327720.db2.gz CIKKFHOPNFVOEQ-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)CC[C@@H]1CCCO1 ZINC000653635771 412327721 /nfs/dbraw/zinc/32/77/21/412327721.db2.gz CIKKFHOPNFVOEQ-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000653699328 412337378 /nfs/dbraw/zinc/33/73/78/412337378.db2.gz JOTBJSRCLSWGSA-LBPRGKRZSA-N 2 2 250.346 0.515 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000653699328 412337380 /nfs/dbraw/zinc/33/73/80/412337380.db2.gz JOTBJSRCLSWGSA-LBPRGKRZSA-N 2 2 250.346 0.515 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000655140643 412488427 /nfs/dbraw/zinc/48/84/27/412488427.db2.gz VGLJVCZJLKAETJ-VXGBXAGGSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000655140643 412488430 /nfs/dbraw/zinc/48/84/30/412488430.db2.gz VGLJVCZJLKAETJ-VXGBXAGGSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000655140643 412488433 /nfs/dbraw/zinc/48/84/33/412488433.db2.gz VGLJVCZJLKAETJ-VXGBXAGGSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000655140643 412488438 /nfs/dbraw/zinc/48/84/38/412488438.db2.gz VGLJVCZJLKAETJ-VXGBXAGGSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000655140640 412488810 /nfs/dbraw/zinc/48/88/10/412488810.db2.gz VGLJVCZJLKAETJ-NEPJUHHUSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000655140640 412488811 /nfs/dbraw/zinc/48/88/11/412488811.db2.gz VGLJVCZJLKAETJ-NEPJUHHUSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000655140640 412488813 /nfs/dbraw/zinc/48/88/13/412488813.db2.gz VGLJVCZJLKAETJ-NEPJUHHUSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000655140640 412488814 /nfs/dbraw/zinc/48/88/14/412488814.db2.gz VGLJVCZJLKAETJ-NEPJUHHUSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000654928871 412451185 /nfs/dbraw/zinc/45/11/85/412451185.db2.gz SVRBBZOJHXSVSL-AGIUHOORSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000654928871 412451188 /nfs/dbraw/zinc/45/11/88/412451188.db2.gz SVRBBZOJHXSVSL-AGIUHOORSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@H](NC(=O)C[NH+]1CC[C@@H](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000654928871 412451189 /nfs/dbraw/zinc/45/11/89/412451189.db2.gz SVRBBZOJHXSVSL-AGIUHOORSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@H](NC(=O)C[NH+]1CC[C@@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000654928871 412451190 /nfs/dbraw/zinc/45/11/90/412451190.db2.gz SVRBBZOJHXSVSL-AGIUHOORSA-N 2 2 269.389 0.164 20 0 CCADLP C[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CC(C)(C)C3)[C@H]2C1 ZINC000654989116 412458461 /nfs/dbraw/zinc/45/84/61/412458461.db2.gz KTMVYJFUMMNOIK-STQMWFEESA-N 2 2 265.401 0.881 20 0 CCADLP C[N@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CC(C)(C)C3)[C@H]2C1 ZINC000654989116 412458463 /nfs/dbraw/zinc/45/84/63/412458463.db2.gz KTMVYJFUMMNOIK-STQMWFEESA-N 2 2 265.401 0.881 20 0 CCADLP [NH3+]CC12CC(C1)CN2C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000659483607 413537387 /nfs/dbraw/zinc/53/73/87/413537387.db2.gz BHKFWLPDPUAJTH-CVZZAPKMSA-N 2 2 275.356 0.331 20 0 CCADLP O=C(NCC[C@@H]1CC[NH2+]C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659513230 413574851 /nfs/dbraw/zinc/57/48/51/413574851.db2.gz HICGZPGNXHMOPN-KBPBESRZSA-N 2 2 296.415 0.102 20 0 CCADLP COC[C@@]1(CNC(=O)N[C@H](C)c2[nH+]ccn2C)CCC[NH2+]1 ZINC000659540497 413628073 /nfs/dbraw/zinc/62/80/73/413628073.db2.gz DRTJNJIPKNMEBH-RISCZKNCSA-N 2 2 295.387 0.549 20 0 CCADLP C[C@H](NC(=O)N[C@H]1CC[NH2+]C[C@H]1C)c1[nH+]ccn1C ZINC000659540410 413629442 /nfs/dbraw/zinc/62/94/42/413629442.db2.gz SOZWDBWICXSTMX-VWYCJHECSA-N 2 2 265.361 0.778 20 0 CCADLP C[C@H](NC(=O)N[C@H](CC[NH3+])C(F)F)c1[nH+]ccn1C ZINC000659550499 413639068 /nfs/dbraw/zinc/63/90/68/413639068.db2.gz QSCRMQGFUPVUPG-JGVFFNPUSA-N 2 2 275.303 0.763 20 0 CCADLP C[C@@H](NC(=O)NCCC1(C[NH3+])CC1)c1[nH+]ccn1C ZINC000659558697 413656319 /nfs/dbraw/zinc/65/63/19/413656319.db2.gz CHMQSLHFXJGBGX-SNVBAGLBSA-N 2 2 265.361 0.909 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2C(C)(C)C2(F)F)[C@H](C[NH3+])C1 ZINC000659609605 413691561 /nfs/dbraw/zinc/69/15/61/413691561.db2.gz KINRLTOUEPAXQY-NXEZZACHSA-N 2 2 290.358 0.562 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@@H]2C(C)(C)C2(F)F)[C@H](C[NH3+])C1 ZINC000659609605 413691568 /nfs/dbraw/zinc/69/15/68/413691568.db2.gz KINRLTOUEPAXQY-NXEZZACHSA-N 2 2 290.358 0.562 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659614959 413707498 /nfs/dbraw/zinc/70/74/98/413707498.db2.gz DLAJPLNCYZBLJX-UHFFFAOYSA-N 2 2 263.345 0.314 20 0 CCADLP CC(C)[C@H]([NH3+])CCNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000659623111 413721510 /nfs/dbraw/zinc/72/15/10/413721510.db2.gz BETHFYZDYTVOGH-CYBMUJFWSA-N 2 2 286.420 0.333 20 0 CCADLP C[C@@H](NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)c1[nH+]ccn1C ZINC000659627288 413723632 /nfs/dbraw/zinc/72/36/32/413723632.db2.gz GZEQHKNWFONRRT-OUAUKWLOSA-N 2 2 265.361 0.873 20 0 CCADLP 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CN(CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1c[nH+]c[nH]1 ZINC000661087935 414554150 /nfs/dbraw/zinc/55/41/50/414554150.db2.gz ZRJQSNNKUDBTBU-UHFFFAOYSA-N 2 2 291.399 0.585 20 0 CCADLP CN(CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1c[nH]c[nH+]1 ZINC000661087935 414554154 /nfs/dbraw/zinc/55/41/54/414554154.db2.gz ZRJQSNNKUDBTBU-UHFFFAOYSA-N 2 2 291.399 0.585 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCO[C@@](C)(C2CC2)C1)C1CC1 ZINC000661173533 414574940 /nfs/dbraw/zinc/57/49/40/414574940.db2.gz ZCLUXZJNSPLDOI-HUUCEWRRSA-N 2 2 268.401 0.942 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCO[C@@](C)(C2CC2)C1)C1CC1 ZINC000661173533 414574942 /nfs/dbraw/zinc/57/49/42/414574942.db2.gz ZCLUXZJNSPLDOI-HUUCEWRRSA-N 2 2 268.401 0.942 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCO[C@@](C)(C2CC2)C1)C1CC1 ZINC000661173533 414574946 /nfs/dbraw/zinc/57/49/46/414574946.db2.gz ZCLUXZJNSPLDOI-HUUCEWRRSA-N 2 2 268.401 0.942 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCO[C@@](C)(C2CC2)C1)C1CC1 ZINC000661173533 414574949 /nfs/dbraw/zinc/57/49/49/414574949.db2.gz ZCLUXZJNSPLDOI-HUUCEWRRSA-N 2 2 268.401 0.942 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C)[C@@H]1CCO ZINC000661490922 414634995 /nfs/dbraw/zinc/63/49/95/414634995.db2.gz FWRCVHAUDDBDJI-ILXRZTDVSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C)[C@@H]1CCO ZINC000661490922 414634998 /nfs/dbraw/zinc/63/49/98/414634998.db2.gz FWRCVHAUDDBDJI-ILXRZTDVSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CCO ZINC000661490922 414634999 /nfs/dbraw/zinc/63/49/99/414634999.db2.gz FWRCVHAUDDBDJI-ILXRZTDVSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](C)[C@@H]1CCO ZINC000661490922 414635002 /nfs/dbraw/zinc/63/50/02/414635002.db2.gz FWRCVHAUDDBDJI-ILXRZTDVSA-N 2 2 288.432 0.408 20 0 CCADLP COc1ccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1F ZINC000038031373 174025627 /nfs/dbraw/zinc/02/56/27/174025627.db2.gz WRVINMVFKOUUPR-UHFFFAOYSA-N 2 2 295.358 0.698 20 0 CCADLP COc1ccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1F ZINC000038031373 174025629 /nfs/dbraw/zinc/02/56/29/174025629.db2.gz WRVINMVFKOUUPR-UHFFFAOYSA-N 2 2 295.358 0.698 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC2(CCC2)OC[C@H]1C ZINC000661462062 414628758 /nfs/dbraw/zinc/62/87/58/414628758.db2.gz GFGTWRAWDHILAY-OLZOCXBDSA-N 2 2 256.390 0.942 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC2(CCC2)OC[C@H]1C ZINC000661462062 414628760 /nfs/dbraw/zinc/62/87/60/414628760.db2.gz GFGTWRAWDHILAY-OLZOCXBDSA-N 2 2 256.390 0.942 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC2(CCC2)OC[C@H]1C ZINC000661462062 414628763 /nfs/dbraw/zinc/62/87/63/414628763.db2.gz GFGTWRAWDHILAY-OLZOCXBDSA-N 2 2 256.390 0.942 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC2(CCC2)OC[C@H]1C ZINC000661462062 414628765 /nfs/dbraw/zinc/62/87/65/414628765.db2.gz GFGTWRAWDHILAY-OLZOCXBDSA-N 2 2 256.390 0.942 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CCF)C1 ZINC000661689913 414664557 /nfs/dbraw/zinc/66/45/57/414664557.db2.gz LSNSXPSFAWRDIY-KGLIPLIRSA-N 2 2 276.396 0.997 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CCF)C1 ZINC000661689913 414664559 /nfs/dbraw/zinc/66/45/59/414664559.db2.gz LSNSXPSFAWRDIY-KGLIPLIRSA-N 2 2 276.396 0.997 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](CCF)C1 ZINC000661689913 414664561 /nfs/dbraw/zinc/66/45/61/414664561.db2.gz LSNSXPSFAWRDIY-KGLIPLIRSA-N 2 2 276.396 0.997 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](CCF)C1 ZINC000661689913 414664563 /nfs/dbraw/zinc/66/45/63/414664563.db2.gz LSNSXPSFAWRDIY-KGLIPLIRSA-N 2 2 276.396 0.997 20 0 CCADLP FC(F)(F)CN1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662260596 414701595 /nfs/dbraw/zinc/70/15/95/414701595.db2.gz NGFLFTHOWOFHEG-NSHDSACASA-N 2 2 293.333 0.687 20 0 CCADLP C(C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1)[NH+]1CCOCC1 ZINC000662260916 414701662 /nfs/dbraw/zinc/70/16/62/414701662.db2.gz QYSLNDYGAMLNPG-OAHLLOKOSA-N 3 2 283.416 0.019 20 0 CCADLP CN(C)c1noc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)n1 ZINC000662274340 414704072 /nfs/dbraw/zinc/70/40/72/414704072.db2.gz VUIZGXFUENXXET-LBPRGKRZSA-N 2 2 279.388 0.957 20 0 CCADLP Nc1nccc([C@@H]2CCC[N@H+](C[C@@H]3C[NH2+]CCO3)C2)n1 ZINC000662277008 414704453 /nfs/dbraw/zinc/70/44/53/414704453.db2.gz NAYDMIRUXQPPCZ-NEPJUHHUSA-N 2 2 277.372 0.227 20 0 CCADLP Nc1nccc([C@@H]2CCC[N@@H+](C[C@@H]3C[NH2+]CCO3)C2)n1 ZINC000662277008 414704454 /nfs/dbraw/zinc/70/44/54/414704454.db2.gz NAYDMIRUXQPPCZ-NEPJUHHUSA-N 2 2 277.372 0.227 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC000662277260 414704698 /nfs/dbraw/zinc/70/46/98/414704698.db2.gz OJEPEWSHVCJSNL-NQBHXWOUSA-N 2 2 280.420 0.947 20 0 CCADLP Cc1cnc(CC[N@@H+](C)C[C@H]2C[NH2+]CCO2)s1 ZINC000662279529 414705226 /nfs/dbraw/zinc/70/52/26/414705226.db2.gz UTJOVQPZTFZXET-LLVKDONJSA-N 2 2 255.387 0.914 20 0 CCADLP Cc1cnc(CC[N@H+](C)C[C@H]2C[NH2+]CCO2)s1 ZINC000662279529 414705227 /nfs/dbraw/zinc/70/52/27/414705227.db2.gz UTJOVQPZTFZXET-LLVKDONJSA-N 2 2 255.387 0.914 20 0 CCADLP CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@H]3C[NH2+]CCO3)[C@H]2C1 ZINC000662279822 414705304 /nfs/dbraw/zinc/70/53/04/414705304.db2.gz MANHASKZCCCCBY-MQYQWHSLSA-N 2 2 270.373 0.243 20 0 CCADLP CO[C@@H]1CC[C@@H]2OCC[N@@H+](C[C@H]3C[NH2+]CCO3)[C@H]2C1 ZINC000662279822 414705305 /nfs/dbraw/zinc/70/53/05/414705305.db2.gz MANHASKZCCCCBY-MQYQWHSLSA-N 2 2 270.373 0.243 20 0 CCADLP COc1ccc([C@@H](C[NH3+])C[NH2+]C2(CO)CC[NH2+]CC2)cc1 ZINC000662282500 414705788 /nfs/dbraw/zinc/70/57/88/414705788.db2.gz AWHJMSCIFTVEMS-AWEZNQCLSA-N 3 2 293.411 0.442 20 0 CCADLP CC(C)N(C(=O)C[NH2+]C1(CO)CC[NH2+]CC1)C(C)C ZINC000662286255 414706616 /nfs/dbraw/zinc/70/66/16/414706616.db2.gz PEYBUWXCERAIKU-UHFFFAOYSA-N 2 2 271.405 0.336 20 0 CCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)NCc1cccs1 ZINC000662285841 414706649 /nfs/dbraw/zinc/70/66/49/414706649.db2.gz JYAOBWOCBDYIBK-UHFFFAOYSA-N 2 2 283.397 0.068 20 0 CCADLP CCc1cccc(C[N@H+](CC[NH3+])C[C@@H](O)CO)c1 ZINC000662287948 414707169 /nfs/dbraw/zinc/70/71/69/414707169.db2.gz KTILNMVLVFETFO-CQSZACIVSA-N 2 2 252.358 0.363 20 0 CCADLP CCc1cccc(C[N@@H+](CC[NH3+])C[C@@H](O)CO)c1 ZINC000662287948 414707170 /nfs/dbraw/zinc/70/71/70/414707170.db2.gz KTILNMVLVFETFO-CQSZACIVSA-N 2 2 252.358 0.363 20 0 CCADLP [NH3+][C@@H]1C[N@H+](CCC(=O)NC2CCCC2)CC[C@H]1F ZINC000662323823 414709765 /nfs/dbraw/zinc/70/97/65/414709765.db2.gz VXIUPRYIWWPPDL-VXGBXAGGSA-N 2 2 257.353 0.806 20 0 CCADLP [NH3+][C@@H]1C[N@@H+](CCC(=O)NC2CCCC2)CC[C@H]1F ZINC000662323823 414709766 /nfs/dbraw/zinc/70/97/66/414709766.db2.gz VXIUPRYIWWPPDL-VXGBXAGGSA-N 2 2 257.353 0.806 20 0 CCADLP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cn[nH]c2)CCO1 ZINC000662324854 414710008 /nfs/dbraw/zinc/71/00/08/414710008.db2.gz ZGQCGEOAWXVCOP-ZDUSSCGKSA-N 2 2 252.362 0.952 20 0 CCADLP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cn[nH]c2)CCO1 ZINC000662324854 414710009 /nfs/dbraw/zinc/71/00/09/414710009.db2.gz ZGQCGEOAWXVCOP-ZDUSSCGKSA-N 2 2 252.362 0.952 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H](CN2CCCC2=O)C1)C1CC1 ZINC000662053327 414689020 /nfs/dbraw/zinc/68/90/20/414689020.db2.gz HSMWQJUYRLHZBR-HIFRSBDPSA-N 2 2 295.427 0.386 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H](CN2CCCC2=O)C1)C1CC1 ZINC000662053327 414689021 /nfs/dbraw/zinc/68/90/21/414689021.db2.gz HSMWQJUYRLHZBR-HIFRSBDPSA-N 2 2 295.427 0.386 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H](CN2CCCC2=O)C1)C1CC1 ZINC000662053327 414689022 /nfs/dbraw/zinc/68/90/22/414689022.db2.gz HSMWQJUYRLHZBR-HIFRSBDPSA-N 2 2 295.427 0.386 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H](CN2CCCC2=O)C1)C1CC1 ZINC000662053327 414689023 /nfs/dbraw/zinc/68/90/23/414689023.db2.gz HSMWQJUYRLHZBR-HIFRSBDPSA-N 2 2 295.427 0.386 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000662339375 414711147 /nfs/dbraw/zinc/71/11/47/414711147.db2.gz GOJCNOJTTKNDPH-LLVKDONJSA-N 2 2 257.378 0.211 20 0 CCADLP O[C@H]1CC[N@@H+](C2CC[NH+](CCOC[C@H]3CCCO3)CC2)C1 ZINC000662158370 414694102 /nfs/dbraw/zinc/69/41/02/414694102.db2.gz SFLFDNWCDZLSOI-JKSUJKDBSA-N 2 2 298.427 0.713 20 0 CCADLP O[C@H]1CC[N@H+](C2CC[NH+](CCOC[C@H]3CCCO3)CC2)C1 ZINC000662158370 414694103 /nfs/dbraw/zinc/69/41/03/414694103.db2.gz SFLFDNWCDZLSOI-JKSUJKDBSA-N 2 2 298.427 0.713 20 0 CCADLP CNS(=O)(=O)c1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC000662241026 414698427 /nfs/dbraw/zinc/69/84/27/414698427.db2.gz PKRSHAPYGWAXKT-UHFFFAOYSA-N 2 2 283.397 0.518 20 0 CCADLP CCCCCNC(=O)C1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662250907 414699282 /nfs/dbraw/zinc/69/92/82/414699282.db2.gz RTXPLLIYIRYZAN-HNNXBMFYSA-N 2 2 297.443 0.993 20 0 CCADLP CC(C)(C)C(=O)N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662248427 414699383 /nfs/dbraw/zinc/69/93/83/414699383.db2.gz BBSJIFIEKINUOQ-ZDUSSCGKSA-N 2 2 295.427 0.698 20 0 CCADLP O=C([C@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1)N1CCCC1 ZINC000662254487 414700070 /nfs/dbraw/zinc/70/00/70/414700070.db2.gz IVGYDIOBZVRFHS-KBPBESRZSA-N 2 2 281.400 0.309 20 0 CCADLP O=C([C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1)N1CCCC1 ZINC000662254487 414700071 /nfs/dbraw/zinc/70/00/71/414700071.db2.gz IVGYDIOBZVRFHS-KBPBESRZSA-N 2 2 281.400 0.309 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000662629452 414734526 /nfs/dbraw/zinc/73/45/26/414734526.db2.gz FSUBPBDYNHLZKD-LOWDOPEQSA-N 2 2 271.405 0.585 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000662629452 414734527 /nfs/dbraw/zinc/73/45/27/414734527.db2.gz FSUBPBDYNHLZKD-LOWDOPEQSA-N 2 2 271.405 0.585 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000662631782 414735024 /nfs/dbraw/zinc/73/50/24/414735024.db2.gz VLTDGIZSDPVBGW-FRRDWIJNSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000662631782 414735025 /nfs/dbraw/zinc/73/50/25/414735025.db2.gz VLTDGIZSDPVBGW-FRRDWIJNSA-N 2 2 269.389 0.211 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000662633552 414735312 /nfs/dbraw/zinc/73/53/12/414735312.db2.gz MLUFSPZLMKHNTI-ZDUSSCGKSA-N 3 2 272.437 0.360 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000662633552 414735313 /nfs/dbraw/zinc/73/53/13/414735313.db2.gz MLUFSPZLMKHNTI-ZDUSSCGKSA-N 3 2 272.437 0.360 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000662632363 414735342 /nfs/dbraw/zinc/73/53/42/414735342.db2.gz COFBXCJQFUDHBV-STQMWFEESA-N 3 2 272.437 0.360 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000662632363 414735343 /nfs/dbraw/zinc/73/53/43/414735343.db2.gz COFBXCJQFUDHBV-STQMWFEESA-N 3 2 272.437 0.360 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000662633038 414735388 /nfs/dbraw/zinc/73/53/88/414735388.db2.gz XIHPRUDVZHABQW-GOEBONIOSA-N 3 2 296.459 0.376 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000662633038 414735389 /nfs/dbraw/zinc/73/53/89/414735389.db2.gz XIHPRUDVZHABQW-GOEBONIOSA-N 3 2 296.459 0.376 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1ccccc1N ZINC000662633423 414735616 /nfs/dbraw/zinc/73/56/16/414735616.db2.gz KYHYVDNVDXIXQU-UHFFFAOYSA-N 2 2 292.427 0.811 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1ccccc1N ZINC000662633423 414735617 /nfs/dbraw/zinc/73/56/17/414735617.db2.gz KYHYVDNVDXIXQU-UHFFFAOYSA-N 2 2 292.427 0.811 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)c2coc(C[NH3+])c2)[C@H](C)CO1 ZINC000662636026 414736108 /nfs/dbraw/zinc/73/61/08/414736108.db2.gz XJOBJOAWOHJOTB-GHMZBOCLSA-N 2 2 281.356 0.577 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)c2coc(C[NH3+])c2)[C@H](C)CO1 ZINC000662636026 414736109 /nfs/dbraw/zinc/73/61/09/414736109.db2.gz XJOBJOAWOHJOTB-GHMZBOCLSA-N 2 2 281.356 0.577 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)c2coc(C[NH3+])c2)[C@@H](C)CO1 ZINC000662636042 414736124 /nfs/dbraw/zinc/73/61/24/414736124.db2.gz XJOBJOAWOHJOTB-WDEREUQCSA-N 2 2 281.356 0.577 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)c2coc(C[NH3+])c2)[C@@H](C)CO1 ZINC000662636042 414736125 /nfs/dbraw/zinc/73/61/25/414736125.db2.gz XJOBJOAWOHJOTB-WDEREUQCSA-N 2 2 281.356 0.577 20 0 CCADLP C[C@H]1C[C@@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC[NH2+]1 ZINC000662656700 414737688 /nfs/dbraw/zinc/73/76/88/414737688.db2.gz RUAMOUYDQZPWCV-IHRRRGAJSA-N 2 2 281.400 0.308 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662678911 414740099 /nfs/dbraw/zinc/74/00/99/414740099.db2.gz JYRJWAFMTLSCJB-VXGBXAGGSA-N 2 2 278.356 0.128 20 0 CCADLP Cc1ccn2cc(CNC(=O)[C@H]3C[C@H]([NH3+])C3)[nH+]c2c1 ZINC000662688112 414741460 /nfs/dbraw/zinc/74/14/60/414741460.db2.gz JBUOKSHYMPITAM-XYPYZODXSA-N 2 2 258.325 0.996 20 0 CCADLP [NH3+][C@H]1C[C@H](C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000662688794 414741483 /nfs/dbraw/zinc/74/14/83/414741483.db2.gz OXEWOGGDPURRER-JHJVBQTASA-N 2 2 267.373 0.047 20 0 CCADLP O=C(C1CC[NH2+]CC1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662703802 414743618 /nfs/dbraw/zinc/74/36/18/414743618.db2.gz NQQXDHCQPUAJNP-UHFFFAOYSA-N 2 2 295.427 0.557 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)CC1([NH3+])CC1 ZINC000662714191 414745757 /nfs/dbraw/zinc/74/57/57/414745757.db2.gz ALVWYVHSCQMQGF-UHFFFAOYSA-N 2 2 255.362 0.095 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)CC1([NH3+])CC1 ZINC000662714191 414745758 /nfs/dbraw/zinc/74/57/58/414745758.db2.gz ALVWYVHSCQMQGF-UHFFFAOYSA-N 2 2 255.362 0.095 20 0 CCADLP C[C@H](NC(=O)C1([NH3+])CC2(CCC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000662720873 414746164 /nfs/dbraw/zinc/74/61/64/414746164.db2.gz MTIJGPBAONENQB-STQMWFEESA-N 2 2 295.427 0.873 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)[C@@H]3CCO[C@@H]3C[NH3+])cn21 ZINC000662727873 414746862 /nfs/dbraw/zinc/74/68/62/414746862.db2.gz YOWDHYKRMGLVRQ-CHWSQXEVSA-N 2 2 288.351 0.623 20 0 CCADLP CO[C@@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)C1CCCCC1 ZINC000662733268 414748376 /nfs/dbraw/zinc/74/83/76/414748376.db2.gz IYZZPXZDKCMWOS-KGLIPLIRSA-N 2 2 285.432 0.977 20 0 CCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662799379 414802511 /nfs/dbraw/zinc/80/25/11/414802511.db2.gz LIUKMOWIIFYGSK-LLVKDONJSA-N 2 2 295.408 0.288 20 0 CCADLP O=C([C@@H]1CCC[NH2+]CC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662870414 414853920 /nfs/dbraw/zinc/85/39/20/414853920.db2.gz HECJAKQKFLBCBY-ZIAGYGMSSA-N 2 2 281.400 0.309 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1COc2cc(F)ccc2C1 ZINC000662876370 414861789 /nfs/dbraw/zinc/86/17/89/414861789.db2.gz XMVSDQWSWYYNAY-OLZOCXBDSA-N 2 2 295.358 0.524 20 0 CCADLP C[C@H](NC(=O)c1csc(CC[NH3+])n1)c1[nH+]ccn1C ZINC000662934332 414902464 /nfs/dbraw/zinc/90/24/64/414902464.db2.gz NJDYYDUKZVQHJJ-QMMMGPOBSA-N 2 2 279.369 0.869 20 0 CCADLP C[C@]1(NC(=O)c2ccc(-n3cc[nH+]c3)nn2)CC[NH2+]C1 ZINC000663011356 414949271 /nfs/dbraw/zinc/94/92/71/414949271.db2.gz PXLJIMWOJAGDSS-ZDUSSCGKSA-N 2 2 272.312 0.144 20 0 CCADLP C[C@@H](O)CNc1cc(N[C@H]2CC[N@@H+](C3CC3)C2)nc[nH+]1 ZINC000663428946 415063142 /nfs/dbraw/zinc/06/31/42/415063142.db2.gz WSXCSLOHEXZYMO-MNOVXSKESA-N 2 2 277.372 0.918 20 0 CCADLP C[C@@H](O)CNc1cc(N[C@H]2CC[N@H+](C3CC3)C2)nc[nH+]1 ZINC000663428946 415063149 /nfs/dbraw/zinc/06/31/49/415063149.db2.gz WSXCSLOHEXZYMO-MNOVXSKESA-N 2 2 277.372 0.918 20 0 CCADLP Nc1nc(-n2cccn2)cc(N[C@H]2CC[N@@H+](C3CC3)C2)[nH+]1 ZINC000663428318 415063655 /nfs/dbraw/zinc/06/36/55/415063655.db2.gz HHFUHGCWEUEOCD-JTQLQIEISA-N 2 2 285.355 0.893 20 0 CCADLP Nc1nc(-n2cccn2)cc(N[C@H]2CC[N@H+](C3CC3)C2)[nH+]1 ZINC000663428318 415063661 /nfs/dbraw/zinc/06/36/61/415063661.db2.gz HHFUHGCWEUEOCD-JTQLQIEISA-N 2 2 285.355 0.893 20 0 CCADLP CS(=O)(=O)c1ccc(C[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000663501372 415080168 /nfs/dbraw/zinc/08/01/68/415080168.db2.gz FXVGVMYOUXKNOM-UHFFFAOYSA-N 2 2 280.393 0.932 20 0 CCADLP COc1c(N)[nH+]cnc1N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000663243372 415027216 /nfs/dbraw/zinc/02/72/16/415027216.db2.gz YQKNCLQXRFDOME-GUBZILKMSA-N 2 2 265.361 0.877 20 0 CCADLP COc1c(N)nc[nH+]c1N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000663243372 415027221 /nfs/dbraw/zinc/02/72/21/415027221.db2.gz YQKNCLQXRFDOME-GUBZILKMSA-N 2 2 265.361 0.877 20 0 CCADLP O=C([C@@H]1C[NH2+]CCO1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000043707537 175100205 /nfs/dbraw/zinc/10/02/05/175100205.db2.gz RZWXXYVVEWIFDJ-HNNXBMFYSA-N 2 2 289.379 0.319 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCCn1cccn1 ZINC000664126225 415249560 /nfs/dbraw/zinc/24/95/60/415249560.db2.gz OYTOGSUGTRWTOP-UHFFFAOYSA-N 2 2 296.419 0.066 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCCn1cccn1 ZINC000664126225 415249565 /nfs/dbraw/zinc/24/95/65/415249565.db2.gz OYTOGSUGTRWTOP-UHFFFAOYSA-N 2 2 296.419 0.066 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000664898140 415487796 /nfs/dbraw/zinc/48/77/96/415487796.db2.gz YPCJQPMAKLJCTG-XQQFMLRXSA-N 2 2 286.420 0.345 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000664898140 415487801 /nfs/dbraw/zinc/48/78/01/415487801.db2.gz YPCJQPMAKLJCTG-XQQFMLRXSA-N 2 2 286.420 0.345 20 0 CCADLP C[C@@H]1C[C@H]1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664854507 415480335 /nfs/dbraw/zinc/48/03/35/415480335.db2.gz UHGHTVXOPISJTA-VXGBXAGGSA-N 2 2 256.394 0.578 20 0 CCADLP C[C@@H]1C[C@H]1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664854507 415480341 /nfs/dbraw/zinc/48/03/41/415480341.db2.gz UHGHTVXOPISJTA-VXGBXAGGSA-N 2 2 256.394 0.578 20 0 CCADLP C[C@H](CC(N)=O)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665250262 415576550 /nfs/dbraw/zinc/57/65/50/415576550.db2.gz MGERZCPFZNTFPU-MRVWCRGKSA-N 2 2 261.369 0.986 20 0 CCADLP CCS(=O)(=O)C1(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000665275217 415583414 /nfs/dbraw/zinc/58/34/14/415583414.db2.gz FNERFJRDWPTPJY-MNOVXSKESA-N 2 2 260.403 0.541 20 0 CCADLP NC(=O)[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000072073518 176312366 /nfs/dbraw/zinc/31/23/66/176312366.db2.gz ZORXNGCGRVJKDH-AWEZNQCLSA-N 2 2 286.335 0.558 20 0 CCADLP NC(=O)[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000072073518 176312369 /nfs/dbraw/zinc/31/23/69/176312369.db2.gz ZORXNGCGRVJKDH-AWEZNQCLSA-N 2 2 286.335 0.558 20 0 CCADLP C[C@H]1CN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC[NH2+]1 ZINC000334893041 225352323 /nfs/dbraw/zinc/35/23/23/225352323.db2.gz QGTHUZAOVXKTHP-LBPRGKRZSA-N 2 2 291.399 0.765 20 0 CCADLP NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)o1 ZINC000088539220 544509416 /nfs/dbraw/zinc/50/94/16/544509416.db2.gz KLNXCHGEAPYPHN-SNVBAGLBSA-N 2 2 299.396 0.501 20 0 CCADLP NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)o1 ZINC000088539220 544509419 /nfs/dbraw/zinc/50/94/19/544509419.db2.gz KLNXCHGEAPYPHN-SNVBAGLBSA-N 2 2 299.396 0.501 20 0 CCADLP CN(C)c1nc(NC[C@H]2COCC[N@@H+]2C)cc[nH+]1 ZINC000624619842 419420803 /nfs/dbraw/zinc/42/08/03/419420803.db2.gz NMPMODQBOYHJRT-JTQLQIEISA-N 2 2 251.334 0.285 20 0 CCADLP CN(C)c1nc(NC[C@H]2COCC[N@H+]2C)cc[nH+]1 ZINC000624619842 419420814 /nfs/dbraw/zinc/42/08/14/419420814.db2.gz NMPMODQBOYHJRT-JTQLQIEISA-N 2 2 251.334 0.285 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)c2cccc3c2CC[NH2+]C3)C1 ZINC000124348361 544589334 /nfs/dbraw/zinc/58/93/34/544589334.db2.gz INBPDOJTFULOLK-CYBMUJFWSA-N 2 2 289.379 0.393 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)c2cccc3c2CC[NH2+]C3)C1 ZINC000124348361 544589339 /nfs/dbraw/zinc/58/93/39/544589339.db2.gz INBPDOJTFULOLK-CYBMUJFWSA-N 2 2 289.379 0.393 20 0 CCADLP C[C@H](NC(=O)N1CC[NH+](C2CC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000152542814 544658927 /nfs/dbraw/zinc/65/89/27/544658927.db2.gz BELTZCWIMDABST-GXTWGEPZSA-N 2 2 296.415 0.195 20 0 CCADLP C[C@H](NC(=O)N1CC[NH+](C2CC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000152542814 544658932 /nfs/dbraw/zinc/65/89/32/544658932.db2.gz BELTZCWIMDABST-GXTWGEPZSA-N 2 2 296.415 0.195 20 0 CCADLP Cc1cc(NCCC[N@@H+]2CCNC(=O)C2)nc(C)[nH+]1 ZINC000275473581 544954257 /nfs/dbraw/zinc/95/42/57/544954257.db2.gz BNUNBBFUQRNLJZ-UHFFFAOYSA-N 2 2 263.345 0.327 20 0 CCADLP Cc1cc(NCCC[N@H+]2CCNC(=O)C2)nc(C)[nH+]1 ZINC000275473581 544954261 /nfs/dbraw/zinc/95/42/61/544954261.db2.gz BNUNBBFUQRNLJZ-UHFFFAOYSA-N 2 2 263.345 0.327 20 0 CCADLP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000300314483 544979467 /nfs/dbraw/zinc/97/94/67/544979467.db2.gz BBAMCOGTUJBYDG-RYUDHWBXSA-N 2 2 253.390 0.975 20 0 CCADLP CC(C)(C)[NH2+]CC[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000300314483 544979480 /nfs/dbraw/zinc/97/94/80/544979480.db2.gz BBAMCOGTUJBYDG-RYUDHWBXSA-N 2 2 253.390 0.975 20 0 CCADLP CCC[N@@H+]1CC[C@H]([NH2+]C2CCN(S(C)(=O)=O)CC2)C1 ZINC000328187475 545017374 /nfs/dbraw/zinc/01/73/74/545017374.db2.gz OMMYVXYUSZCXAC-ZDUSSCGKSA-N 2 2 289.445 0.484 20 0 CCADLP CCC[N@H+]1CC[C@H]([NH2+]C2CCN(S(C)(=O)=O)CC2)C1 ZINC000328187475 545017376 /nfs/dbraw/zinc/01/73/76/545017376.db2.gz OMMYVXYUSZCXAC-ZDUSSCGKSA-N 2 2 289.445 0.484 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000353453057 545071087 /nfs/dbraw/zinc/07/10/87/545071087.db2.gz XRIVJUUBJSEEGG-LBPRGKRZSA-N 2 2 266.345 0.179 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000353453057 545071089 /nfs/dbraw/zinc/07/10/89/545071089.db2.gz XRIVJUUBJSEEGG-LBPRGKRZSA-N 2 2 266.345 0.179 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000353453057 545071090 /nfs/dbraw/zinc/07/10/90/545071090.db2.gz XRIVJUUBJSEEGG-LBPRGKRZSA-N 2 2 266.345 0.179 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000353453057 545071092 /nfs/dbraw/zinc/07/10/92/545071092.db2.gz XRIVJUUBJSEEGG-LBPRGKRZSA-N 2 2 266.345 0.179 20 0 CCADLP C[C@@H](NC(=O)NCC[C@H]1CCC[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000521985458 269779746 /nfs/dbraw/zinc/77/97/46/269779746.db2.gz HPAGENGTPKTBIZ-HZSPNIEDSA-N 2 2 298.431 0.537 20 0 CCADLP C[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2)nc1)[C@H](C)[NH3+] ZINC000370657921 267335344 /nfs/dbraw/zinc/33/53/44/267335344.db2.gz LVVUPYSZKQUZCV-MNOVXSKESA-N 2 2 273.340 0.867 20 0 CCADLP CNC(=S)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732720247 581844820 /nfs/dbraw/zinc/84/48/20/581844820.db2.gz GJBWXZNUNKUEAS-SNVBAGLBSA-N 2 2 256.419 0.249 20 0 CCADLP CNC(=S)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732720247 581844823 /nfs/dbraw/zinc/84/48/23/581844823.db2.gz GJBWXZNUNKUEAS-SNVBAGLBSA-N 2 2 256.419 0.249 20 0 CCADLP O=C([C@H]1CCCc2[nH+]ccn21)N1CCn2c[nH+]cc2C1 ZINC000359460590 275008577 /nfs/dbraw/zinc/00/85/77/275008577.db2.gz NPRDOBDTHBQXRE-GFCCVEGCSA-N 2 2 271.324 0.999 20 0 CCADLP C(C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)C[NH+]1CCCC1 ZINC000422787721 275393754 /nfs/dbraw/zinc/39/37/54/275393754.db2.gz QGBAVSJMQNKYLZ-CABCVRRESA-N 3 2 267.417 0.829 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H](C)C1 ZINC000335952995 276190674 /nfs/dbraw/zinc/19/06/74/276190674.db2.gz WZLGDSOYQQURAH-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H](C)C1 ZINC000335952995 276190675 /nfs/dbraw/zinc/19/06/75/276190675.db2.gz WZLGDSOYQQURAH-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CCOC[C@@H]2OC)C1 ZINC000449461101 276251757 /nfs/dbraw/zinc/25/17/57/276251757.db2.gz SITXKMPSRNIIPE-DGAVXFQQSA-N 2 2 256.390 0.968 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CCOC[C@@H]2OC)C1 ZINC000449461101 276251759 /nfs/dbraw/zinc/25/17/59/276251759.db2.gz SITXKMPSRNIIPE-DGAVXFQQSA-N 2 2 256.390 0.968 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)C1 ZINC000358194173 276252176 /nfs/dbraw/zinc/25/21/76/276252176.db2.gz BJICFYQVQBSRLL-ITGHMWBKSA-N 2 2 265.401 0.926 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)C1 ZINC000358194173 276252179 /nfs/dbraw/zinc/25/21/79/276252179.db2.gz BJICFYQVQBSRLL-ITGHMWBKSA-N 2 2 265.401 0.926 20 0 CCADLP CC[NH+](CC(O)C[N@@H+](CC)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000361596915 276316518 /nfs/dbraw/zinc/31/65/18/276316518.db2.gz WAIKFNCMBQMLOU-ZIAGYGMSSA-N 2 2 286.416 0.569 20 0 CCADLP CC[NH+](CC(O)C[N@H+](CC)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000361596915 276316520 /nfs/dbraw/zinc/31/65/20/276316520.db2.gz WAIKFNCMBQMLOU-ZIAGYGMSSA-N 2 2 286.416 0.569 20 0 CCADLP C[NH2+]CCN(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000423524186 277023655 /nfs/dbraw/zinc/02/36/55/277023655.db2.gz SRPWHAKYTNCUSI-CYBMUJFWSA-N 2 2 269.389 0.308 20 0 CCADLP C[NH2+]CCN(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000423524186 277023656 /nfs/dbraw/zinc/02/36/56/277023656.db2.gz SRPWHAKYTNCUSI-CYBMUJFWSA-N 2 2 269.389 0.308 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)NCc2cccnc2)C1 ZINC000430669715 277026591 /nfs/dbraw/zinc/02/65/91/277026591.db2.gz UIYYMIDJWVOWTE-AWEZNQCLSA-N 2 2 276.384 0.629 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)NCc2cccnc2)C1 ZINC000430669715 277026592 /nfs/dbraw/zinc/02/65/92/277026592.db2.gz UIYYMIDJWVOWTE-AWEZNQCLSA-N 2 2 276.384 0.629 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(C)(F)F)C2)CC1 ZINC000377411221 277028241 /nfs/dbraw/zinc/02/82/41/277028241.db2.gz ZEZPNWFTHKRNHP-JTQLQIEISA-N 2 2 275.343 0.926 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(C)(F)F)C2)CC1 ZINC000377411221 277028243 /nfs/dbraw/zinc/02/82/43/277028243.db2.gz ZEZPNWFTHKRNHP-JTQLQIEISA-N 2 2 275.343 0.926 20 0 CCADLP C[N@@H+]1CC[C@@]2(CC[NH+]([C@H]3CCN(C4CC4)C3=O)C2)C1 ZINC000334191834 277160867 /nfs/dbraw/zinc/16/08/67/277160867.db2.gz JVYVLYVYMYGWCN-DZGCQCFKSA-N 2 2 263.385 0.777 20 0 CCADLP C[N@H+]1CC[C@@]2(CC[NH+]([C@H]3CCN(C4CC4)C3=O)C2)C1 ZINC000334191834 277160868 /nfs/dbraw/zinc/16/08/68/277160868.db2.gz JVYVLYVYMYGWCN-DZGCQCFKSA-N 2 2 263.385 0.777 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@@H+]([C@H]3CCN(C4CC4)C3=O)C2)C1 ZINC000334191834 277160869 /nfs/dbraw/zinc/16/08/69/277160869.db2.gz JVYVLYVYMYGWCN-DZGCQCFKSA-N 2 2 263.385 0.777 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@H+]([C@H]3CCN(C4CC4)C3=O)C2)C1 ZINC000334191834 277160870 /nfs/dbraw/zinc/16/08/70/277160870.db2.gz JVYVLYVYMYGWCN-DZGCQCFKSA-N 2 2 263.385 0.777 20 0 CCADLP CC(C)(CNC(=O)[C@H]1CCC[N@@H+]1C1CC1)[NH+]1CCOCC1 ZINC000493475305 277302506 /nfs/dbraw/zinc/30/25/06/277302506.db2.gz ZTUVCUQTYXGRLO-CQSZACIVSA-N 2 2 295.427 0.840 20 0 CCADLP CC(C)(CNC(=O)[C@H]1CCC[N@H+]1C1CC1)[NH+]1CCOCC1 ZINC000493475305 277302508 /nfs/dbraw/zinc/30/25/08/277302508.db2.gz ZTUVCUQTYXGRLO-CQSZACIVSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@@H](CC(=O)N(C)C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427861690 277558843 /nfs/dbraw/zinc/55/88/43/277558843.db2.gz UALZNLFSBYUYOV-QWRGUYRKSA-N 2 2 250.346 0.654 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@]12C[C@H]1CC[NH2+]2)[NH+]1CCOCC1 ZINC000423309417 277743420 /nfs/dbraw/zinc/74/34/20/277743420.db2.gz ZPKBDBARKSJVCO-NFAWXSAZSA-N 2 2 281.400 0.211 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCC(=O)N2)C[N@@H+]1C1CC1 ZINC000453447069 278026845 /nfs/dbraw/zinc/02/68/45/278026845.db2.gz ZBDUPNHWAVRVTR-SUNKGSAMSA-N 2 2 251.374 0.870 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCC(=O)N2)C[N@H+]1C1CC1 ZINC000453447069 278026846 /nfs/dbraw/zinc/02/68/46/278026846.db2.gz ZBDUPNHWAVRVTR-SUNKGSAMSA-N 2 2 251.374 0.870 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N[C@H]2CCn3cc[nH+]c3C2)CCC[N@@H+]1C ZINC000488534936 278102650 /nfs/dbraw/zinc/10/26/50/278102650.db2.gz KMWHLLSCYXYOHH-FRRDWIJNSA-N 2 2 291.399 0.980 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N[C@H]2CCn3cc[nH+]c3C2)CCC[N@H+]1C ZINC000488534936 278102653 /nfs/dbraw/zinc/10/26/53/278102653.db2.gz KMWHLLSCYXYOHH-FRRDWIJNSA-N 2 2 291.399 0.980 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1C[NH+]2CCN1CC2)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000246088917 278152152 /nfs/dbraw/zinc/15/21/52/278152152.db2.gz ICYVQHJVUXTTOW-LXTVHRRPSA-N 2 2 294.443 0.364 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1C[NH+]2CCN1CC2)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000246088917 278152155 /nfs/dbraw/zinc/15/21/55/278152155.db2.gz ICYVQHJVUXTTOW-LXTVHRRPSA-N 2 2 294.443 0.364 20 0 CCADLP CS[C@H](CO)[C@@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000228308671 278159723 /nfs/dbraw/zinc/15/97/23/278159723.db2.gz PTSOSLDAJBFYMT-MWLCHTKSSA-N 2 2 272.418 0.688 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000354744364 278177791 /nfs/dbraw/zinc/17/77/91/278177791.db2.gz XAAYTCZVFMUFAB-OLZOCXBDSA-N 2 2 291.399 0.910 20 0 CCADLP C[C@@H]([NH3+])C(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000423932248 278303331 /nfs/dbraw/zinc/30/33/31/278303331.db2.gz NXIMWLQJSAEAMZ-SNPRPXQTSA-N 2 2 291.395 0.864 20 0 CCADLP C[C@@H]([NH3+])C(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000423932248 278303332 /nfs/dbraw/zinc/30/33/32/278303332.db2.gz NXIMWLQJSAEAMZ-SNPRPXQTSA-N 2 2 291.395 0.864 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000449322362 278842414 /nfs/dbraw/zinc/84/24/14/278842414.db2.gz XFDULTRQDKAMLE-ZYHUDNBSSA-N 2 2 262.357 0.619 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000358180016 288091672 /nfs/dbraw/zinc/09/16/72/288091672.db2.gz RVELCZHDMRWILE-UTUOFQBUSA-N 2 2 253.390 0.926 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000358180016 288091674 /nfs/dbraw/zinc/09/16/74/288091674.db2.gz RVELCZHDMRWILE-UTUOFQBUSA-N 2 2 253.390 0.926 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000358389268 288097478 /nfs/dbraw/zinc/09/74/78/288097478.db2.gz CWCUSDWWLMFZQG-TZMCWYRMSA-N 2 2 282.432 0.079 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000358389268 288097481 /nfs/dbraw/zinc/09/74/81/288097481.db2.gz CWCUSDWWLMFZQG-TZMCWYRMSA-N 2 2 282.432 0.079 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC000336691622 279125382 /nfs/dbraw/zinc/12/53/82/279125382.db2.gz BCSZDRMQIHHPGO-QWHCGFSZSA-N 2 2 253.390 0.929 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC000336691622 279125385 /nfs/dbraw/zinc/12/53/85/279125385.db2.gz BCSZDRMQIHHPGO-QWHCGFSZSA-N 2 2 253.390 0.929 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000246136084 279311522 /nfs/dbraw/zinc/31/15/22/279311522.db2.gz JFZYMQDNWKZYBI-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000246136084 279311523 /nfs/dbraw/zinc/31/15/23/279311523.db2.gz JFZYMQDNWKZYBI-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP CC[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000246136084 279311525 /nfs/dbraw/zinc/31/15/25/279311525.db2.gz JFZYMQDNWKZYBI-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP CC[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000246136084 279311528 /nfs/dbraw/zinc/31/15/28/279311528.db2.gz JFZYMQDNWKZYBI-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428031266 279337598 /nfs/dbraw/zinc/33/75/98/279337598.db2.gz GSWQBDGJADHXIS-UPJWGTAASA-N 2 2 253.390 0.926 20 0 CCADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428031266 279337601 /nfs/dbraw/zinc/33/76/01/279337601.db2.gz GSWQBDGJADHXIS-UPJWGTAASA-N 2 2 253.390 0.926 20 0 CCADLP C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O)[C@H]1CCC[NH2+]1 ZINC000333308900 279506126 /nfs/dbraw/zinc/50/61/26/279506126.db2.gz RKCWBVUJLDTLRL-IACUBPJLSA-N 2 2 291.399 0.646 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420356486 279589864 /nfs/dbraw/zinc/58/98/64/279589864.db2.gz CQBFAAYLWNUIGY-NOOOWODRSA-N 2 2 284.404 0.585 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000353815567 280071452 /nfs/dbraw/zinc/07/14/52/280071452.db2.gz NLRNYHLFHWMWED-UPJWGTAASA-N 2 2 269.389 0.067 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000353815567 280071454 /nfs/dbraw/zinc/07/14/54/280071454.db2.gz NLRNYHLFHWMWED-UPJWGTAASA-N 2 2 269.389 0.067 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@@H+]1CCOCC1(C)C)[C@H](C)[NH3+] ZINC000423365444 280170923 /nfs/dbraw/zinc/17/09/23/280170923.db2.gz BTLQBNWERQGBHP-STQMWFEESA-N 2 2 285.432 0.833 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@H+]1CCOCC1(C)C)[C@H](C)[NH3+] ZINC000423365444 280170925 /nfs/dbraw/zinc/17/09/25/280170925.db2.gz BTLQBNWERQGBHP-STQMWFEESA-N 2 2 285.432 0.833 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C1CC[NH+](C)CC1 ZINC000342277489 288522123 /nfs/dbraw/zinc/52/21/23/288522123.db2.gz DNWCYTYFDXAWBF-UKRRQHHQSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134875666 289341077 /nfs/dbraw/zinc/34/10/77/289341077.db2.gz RPGBNZVDESPIGN-NQBHXWOUSA-N 2 2 294.399 0.519 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134875666 289341078 /nfs/dbraw/zinc/34/10/78/289341078.db2.gz RPGBNZVDESPIGN-NQBHXWOUSA-N 2 2 294.399 0.519 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134875666 289341079 /nfs/dbraw/zinc/34/10/79/289341079.db2.gz RPGBNZVDESPIGN-NQBHXWOUSA-N 2 2 294.399 0.519 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134875666 289341080 /nfs/dbraw/zinc/34/10/80/289341080.db2.gz RPGBNZVDESPIGN-NQBHXWOUSA-N 2 2 294.399 0.519 20 0 CCADLP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)[C@H](C)N1CCOCC1 ZINC000414326884 289983313 /nfs/dbraw/zinc/98/33/13/289983313.db2.gz FQDMWCCFXUOGTF-STQMWFEESA-N 2 2 295.431 0.685 20 0 CCADLP C[N@@H+]1CCO[C@H]2CN(C(=O)C3CC[NH+](C4CC4)CC3)C[C@H]21 ZINC000338824833 290116206 /nfs/dbraw/zinc/11/62/06/290116206.db2.gz QYGUOVKJIOMKPA-CABCVRRESA-N 2 2 293.411 0.402 20 0 CCADLP C[N@H+]1CCO[C@H]2CN(C(=O)C3CC[NH+](C4CC4)CC3)C[C@H]21 ZINC000338824833 290116209 /nfs/dbraw/zinc/11/62/09/290116209.db2.gz QYGUOVKJIOMKPA-CABCVRRESA-N 2 2 293.411 0.402 20 0 CCADLP [NH3+]C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCOCC1 ZINC000430611884 295265826 /nfs/dbraw/zinc/26/58/26/295265826.db2.gz PYDHQFGPGUCEIB-GFCCVEGCSA-N 2 2 255.362 0.049 20 0 CCADLP [NH3+]C[C@H]1CCCC[N@H+]1CCC(=O)N1CCOCC1 ZINC000430611884 295265827 /nfs/dbraw/zinc/26/58/27/295265827.db2.gz PYDHQFGPGUCEIB-GFCCVEGCSA-N 2 2 255.362 0.049 20 0 CCADLP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000516273924 295311674 /nfs/dbraw/zinc/31/16/74/295311674.db2.gz BGHRPJJZVCDSHO-MYPMTAMASA-N 3 2 267.417 0.861 20 0 CCADLP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449397623 297139868 /nfs/dbraw/zinc/13/98/68/297139868.db2.gz QZSYMHSUHHKKOO-MCIONIFRSA-N 2 2 256.390 0.848 20 0 CCADLP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449397623 297139869 /nfs/dbraw/zinc/13/98/69/297139869.db2.gz QZSYMHSUHHKKOO-MCIONIFRSA-N 2 2 256.390 0.848 20 0 CCADLP C[C@@H]1OCC[NH2+][C@H]1C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000343434100 297583279 /nfs/dbraw/zinc/58/32/79/297583279.db2.gz JVKATDCOBOAAIU-DKCNOQQISA-N 2 2 296.396 0.275 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCCC[C@@H]1CO ZINC000388741045 545086485 /nfs/dbraw/zinc/08/64/85/545086485.db2.gz JKYUPUYWXYOVFM-ZIAGYGMSSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCCC[C@@H]1CO ZINC000388741045 545086486 /nfs/dbraw/zinc/08/64/86/545086486.db2.gz JKYUPUYWXYOVFM-ZIAGYGMSSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCCC[C@@H]1CO ZINC000388741045 545086487 /nfs/dbraw/zinc/08/64/87/545086487.db2.gz JKYUPUYWXYOVFM-ZIAGYGMSSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCCC[C@@H]1CO ZINC000388741045 545086488 /nfs/dbraw/zinc/08/64/88/545086488.db2.gz JKYUPUYWXYOVFM-ZIAGYGMSSA-N 2 2 274.405 0.162 20 0 CCADLP Cc1cc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])no1 ZINC000436053258 301272692 /nfs/dbraw/zinc/27/26/92/301272692.db2.gz 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284.400 0.393 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCCSC2)[C@H](C[NH3+])C1 ZINC000577208061 335322585 /nfs/dbraw/zinc/32/25/85/335322585.db2.gz FCVVKEARNKNDBD-WDEREUQCSA-N 2 2 272.418 0.166 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@H]2CCCSC2)[C@H](C[NH3+])C1 ZINC000577208061 335322587 /nfs/dbraw/zinc/32/25/87/335322587.db2.gz FCVVKEARNKNDBD-WDEREUQCSA-N 2 2 272.418 0.166 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000577571207 335370511 /nfs/dbraw/zinc/37/05/11/335370511.db2.gz KQWAUJTXSZENHE-JTQLQIEISA-N 2 2 263.345 0.199 20 0 CCADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1nnnn1CC1CC1 ZINC000577620643 335380022 /nfs/dbraw/zinc/38/00/22/335380022.db2.gz AJHHATKYPKWANP-PWSUYJOCSA-N 2 2 264.377 0.561 20 0 CCADLP CN1CC[NH2+]C[C@@H]1CN[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000577840179 335409415 /nfs/dbraw/zinc/40/94/15/335409415.db2.gz UOZKEIHMODOFTD-HUUCEWRRSA-N 2 2 285.395 0.992 20 0 CCADLP CC1CC([NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000578435950 335633630 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C[N@@H+]1CCN(C(=O)NC[C@@H]2CCC(C)(C)O2)[C@H](C[NH3+])C1 ZINC000581240786 336029569 /nfs/dbraw/zinc/02/95/69/336029569.db2.gz ILSWXCYBCYLVQV-NEPJUHHUSA-N 2 2 284.404 0.228 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCC(C)(C)O2)[C@H](C[NH3+])C1 ZINC000581240786 336029572 /nfs/dbraw/zinc/02/95/72/336029572.db2.gz ILSWXCYBCYLVQV-NEPJUHHUSA-N 2 2 284.404 0.228 20 0 CCADLP C[C@H]([NH3+])C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000195149454 336047631 /nfs/dbraw/zinc/04/76/31/336047631.db2.gz VDQVECKCURISNT-SRVKXCTJSA-N 2 2 292.383 0.659 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000581320017 336048352 /nfs/dbraw/zinc/04/83/52/336048352.db2.gz QUJIJERDNWZGJI-AWEZNQCLSA-N 2 2 297.443 0.897 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000581320017 336048353 /nfs/dbraw/zinc/04/83/53/336048353.db2.gz QUJIJERDNWZGJI-AWEZNQCLSA-N 2 2 297.443 0.897 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCn1nc2ccccn2c1=O ZINC000581479200 336086571 /nfs/dbraw/zinc/08/65/71/336086571.db2.gz JLJOETIABRVBST-BZPMIXESSA-N 2 2 289.383 0.472 20 0 CCADLP COC(=O)C1CCN(C(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)CC1 ZINC000581489524 336088527 /nfs/dbraw/zinc/08/85/27/336088527.db2.gz GVNCEEYPAJVFEY-HNNXBMFYSA-N 2 2 297.399 0.115 20 0 CCADLP O=C([C@H]1CC[NH2+]1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000384836723 336132466 /nfs/dbraw/zinc/13/24/66/336132466.db2.gz PMZDDJIHJYAMQD-GFCCVEGCSA-N 2 2 265.382 0.754 20 0 CCADLP O=C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)NC(=O)NC1CCCC1 ZINC000385011945 336135790 /nfs/dbraw/zinc/13/57/90/336135790.db2.gz TYIAJBMSDVXXEK-OAHLLOKOSA-N 2 2 294.399 0.440 20 0 CCADLP O=C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)NC(=O)NC1CCCC1 ZINC000385011945 336135791 /nfs/dbraw/zinc/13/57/91/336135791.db2.gz TYIAJBMSDVXXEK-OAHLLOKOSA-N 2 2 294.399 0.440 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]CCOC1CCCC1)C1CC1 ZINC000386431110 336173917 /nfs/dbraw/zinc/17/39/17/336173917.db2.gz OLQAQKBFAPRSCH-CYBMUJFWSA-N 2 2 256.390 0.990 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]CCOC1CCCC1)C1CC1 ZINC000386431110 336173918 /nfs/dbraw/zinc/17/39/18/336173918.db2.gz OLQAQKBFAPRSCH-CYBMUJFWSA-N 2 2 256.390 0.990 20 0 CCADLP COCC[N@H+](CCC[NH3+])Cc1c(C)nn(C)c1C ZINC000415093117 545093488 /nfs/dbraw/zinc/09/34/88/545093488.db2.gz HNHMVDLSYZNZGB-UHFFFAOYSA-N 2 2 254.378 0.834 20 0 CCADLP COCC[N@@H+](CCC[NH3+])Cc1c(C)nn(C)c1C ZINC000415093117 545093489 /nfs/dbraw/zinc/09/34/89/545093489.db2.gz HNHMVDLSYZNZGB-UHFFFAOYSA-N 2 2 254.378 0.834 20 0 CCADLP C[C@@H](CNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)[NH+](C)C ZINC000454541954 533975575 /nfs/dbraw/zinc/97/55/75/533975575.db2.gz KVXJGJFROOMJDR-AVGNSLFASA-N 2 2 286.420 0.345 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000358521843 534018752 /nfs/dbraw/zinc/01/87/52/534018752.db2.gz PQABREWJAHAUMP-HZSPNIEDSA-N 2 2 298.431 0.441 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCCN(C)S(=O)(=O)CC)C1 ZINC000357999702 535781610 /nfs/dbraw/zinc/78/16/10/535781610.db2.gz ANCPAIFYWSSDHJ-QWHCGFSZSA-N 2 2 291.461 0.588 20 0 CCADLP CC[NH+](CC)C[C@H](C)NC(=O)NCCc1cn(C)c[nH+]1 ZINC000458020089 545097741 /nfs/dbraw/zinc/09/77/41/545097741.db2.gz SEBYYIARFDNRKQ-LBPRGKRZSA-N 2 2 281.404 0.992 20 0 CCADLP CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000311077063 535853335 /nfs/dbraw/zinc/85/33/35/535853335.db2.gz MVULSQFMUOYLKT-BZPMIXESSA-N 2 2 256.390 0.941 20 0 CCADLP CC[C@@H]1CO[C@H](C)C[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000311077063 535853344 /nfs/dbraw/zinc/85/33/44/535853344.db2.gz MVULSQFMUOYLKT-BZPMIXESSA-N 2 2 256.390 0.941 20 0 CCADLP CC[C@@H]1CO[C@H](C)C[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000311077063 535853351 /nfs/dbraw/zinc/85/33/51/535853351.db2.gz MVULSQFMUOYLKT-BZPMIXESSA-N 2 2 256.390 0.941 20 0 CCADLP CC[C@@H]1CO[C@H](C)C[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000311077063 535853360 /nfs/dbraw/zinc/85/33/60/535853360.db2.gz MVULSQFMUOYLKT-BZPMIXESSA-N 2 2 256.390 0.941 20 0 CCADLP O=C(CC[C@H]1CC[NH2+]C1)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424189324 534448959 /nfs/dbraw/zinc/44/89/59/534448959.db2.gz KLQFCUMJWXTRJZ-WDEREUQCSA-N 2 2 275.343 0.737 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000340042158 520702107 /nfs/dbraw/zinc/70/21/07/520702107.db2.gz DBZFFYPLTMYLHK-UHFFFAOYSA-N 2 2 289.445 0.438 20 0 CCADLP O=C(NCCn1cc[nH+]c1)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000424128805 534520849 /nfs/dbraw/zinc/52/08/49/534520849.db2.gz CIBQNDJRUIRIFC-LLVKDONJSA-N 2 2 288.355 0.503 20 0 CCADLP COCC[C@@]1(C(=O)NC[C@H](C)Cn2cc[nH+]c2)CC[NH2+]C1 ZINC000370771478 521899780 /nfs/dbraw/zinc/89/97/80/521899780.db2.gz GSVIMGZAOIKCIZ-ZFWWWQNUSA-N 2 2 294.399 0.652 20 0 CCADLP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)NC[C@H]3CCCO3)C2)C1 ZINC000366537177 523977378 /nfs/dbraw/zinc/97/73/78/523977378.db2.gz VVYQXQCGWALGPG-UKRRQHHQSA-N 2 2 281.400 0.309 20 0 CCADLP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)NC[C@H]3CCCO3)C2)C1 ZINC000366537177 523977381 /nfs/dbraw/zinc/97/73/81/523977381.db2.gz VVYQXQCGWALGPG-UKRRQHHQSA-N 2 2 281.400 0.309 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)NC[C@H]3CCCO3)C2)C1 ZINC000366537177 523977383 /nfs/dbraw/zinc/97/73/83/523977383.db2.gz VVYQXQCGWALGPG-UKRRQHHQSA-N 2 2 281.400 0.309 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)NC[C@H]3CCCO3)C2)C1 ZINC000366537177 523977386 /nfs/dbraw/zinc/97/73/86/523977386.db2.gz VVYQXQCGWALGPG-UKRRQHHQSA-N 2 2 281.400 0.309 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@@H]([NH3+])CC(C)C)CC2)cc[nH+]1 ZINC000423791338 534753950 /nfs/dbraw/zinc/75/39/50/534753950.db2.gz YMKFMKPCDIGONX-ZDUSSCGKSA-N 2 2 291.399 0.807 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@@H](C[NH3+])C(C)C)CC2)cc[nH+]1 ZINC000423791277 534755155 /nfs/dbraw/zinc/75/51/55/534755155.db2.gz YKCWQVNPHAOKJA-ZDUSSCGKSA-N 2 2 291.399 0.665 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000055090812 524354854 /nfs/dbraw/zinc/35/48/54/524354854.db2.gz WQHONQCGMVYNOE-AGIUHOORSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CC[C@@H](CO)O1 ZINC000340411189 524919684 /nfs/dbraw/zinc/91/96/84/524919684.db2.gz DNKGQXRGJAWHGT-SAXRGWBVSA-N 2 2 254.374 0.599 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CC[C@@H](CO)O1 ZINC000340411189 524919693 /nfs/dbraw/zinc/91/96/93/524919693.db2.gz DNKGQXRGJAWHGT-SAXRGWBVSA-N 2 2 254.374 0.599 20 0 CCADLP C[C@H]1[C@H](NC(=O)CCc2[nH]cc[nH+]2)CCC[N@@H+]1C ZINC000355919866 525106772 /nfs/dbraw/zinc/10/67/72/525106772.db2.gz PFSBYKPYZYFYJD-WDEREUQCSA-N 2 2 250.346 0.941 20 0 CCADLP C[C@H]1[C@H](NC(=O)CCc2[nH]cc[nH+]2)CCC[N@H+]1C ZINC000355919866 525106783 /nfs/dbraw/zinc/10/67/83/525106783.db2.gz PFSBYKPYZYFYJD-WDEREUQCSA-N 2 2 250.346 0.941 20 0 CCADLP C[C@H](CNc1[nH+]cnc2c1OCCN2)C[NH+](C)C ZINC000665720476 545105674 /nfs/dbraw/zinc/10/56/74/545105674.db2.gz ICLODSOMWHCCBT-SECBINFHSA-N 2 2 251.334 0.891 20 0 CCADLP C[C@H](CNc1nc[nH+]c2c1OCCN2)C[NH+](C)C ZINC000665720476 545105675 /nfs/dbraw/zinc/10/56/75/545105675.db2.gz ICLODSOMWHCCBT-SECBINFHSA-N 2 2 251.334 0.891 20 0 CCADLP Cn1ccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000665917889 545109865 /nfs/dbraw/zinc/10/98/65/545109865.db2.gz LODRIPVDJPTZQM-UHFFFAOYSA-N 2 2 282.392 0.425 20 0 CCADLP Cn1ccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000665917889 545109866 /nfs/dbraw/zinc/10/98/66/545109866.db2.gz LODRIPVDJPTZQM-UHFFFAOYSA-N 2 2 282.392 0.425 20 0 CCADLP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449643651 526700699 /nfs/dbraw/zinc/70/06/99/526700699.db2.gz BRSVDCWIGIXSCE-DTWKUNHWSA-N 2 2 263.332 0.721 20 0 CCADLP O=C(c1ccc2c(c1)C[NH2+]C2)N1CC[NH+](CCO)CC1 ZINC000156653836 526723939 /nfs/dbraw/zinc/72/39/39/526723939.db2.gz AWTBWZGFRSYGSS-UHFFFAOYSA-N 2 2 275.352 0.040 20 0 CCADLP CCN1CC[NH+](CCCNC(=O)C2([NH+](C)C)CC2)CC1 ZINC000666347841 545120254 /nfs/dbraw/zinc/12/02/54/545120254.db2.gz JPCGQVUTMMPVDS-UHFFFAOYSA-N 2 2 282.432 0.224 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)NC(=O)NC1CC1 ZINC000150767114 526799355 /nfs/dbraw/zinc/79/93/55/526799355.db2.gz WMHUWXLLIOIDCI-LBPRGKRZSA-N 2 2 294.399 0.392 20 0 CCADLP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)NC(=O)NC1CC1 ZINC000150767114 526799361 /nfs/dbraw/zinc/79/93/61/526799361.db2.gz WMHUWXLLIOIDCI-LBPRGKRZSA-N 2 2 294.399 0.392 20 0 CCADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])C2 ZINC000424163697 526814204 /nfs/dbraw/zinc/81/42/04/526814204.db2.gz XXXUNUXOFVXBEA-AXFHLTTASA-N 2 2 276.384 0.959 20 0 CCADLP Cn1nccc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000666677669 545128303 /nfs/dbraw/zinc/12/83/03/545128303.db2.gz MFNHCRWXUJJBTJ-UHFFFAOYSA-N 2 2 282.392 0.425 20 0 CCADLP Cn1nccc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000666677669 545128304 /nfs/dbraw/zinc/12/83/04/545128304.db2.gz MFNHCRWXUJJBTJ-UHFFFAOYSA-N 2 2 282.392 0.425 20 0 CCADLP O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000666783857 545131183 /nfs/dbraw/zinc/13/11/83/545131183.db2.gz AYUIHDJYMCQWRL-NSHDSACASA-N 2 2 273.336 0.624 20 0 CCADLP CC(C)c1nn(C)c(N(C)C)c1C[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000667037230 545137808 /nfs/dbraw/zinc/13/78/08/545137808.db2.gz BFPRIFFHQBKJGZ-LBPRGKRZSA-N 2 2 295.431 0.688 20 0 CCADLP C[N@@H+]1CCN(C(=O)Nc2cnc(C3CC3)nc2)[C@H](C[NH3+])C1 ZINC000667061977 545138087 /nfs/dbraw/zinc/13/80/87/545138087.db2.gz FZKFLZPMGPRFJC-GFCCVEGCSA-N 2 2 290.371 0.461 20 0 CCADLP C[N@H+]1CCN(C(=O)Nc2cnc(C3CC3)nc2)[C@H](C[NH3+])C1 ZINC000667061977 545138088 /nfs/dbraw/zinc/13/80/88/545138088.db2.gz FZKFLZPMGPRFJC-GFCCVEGCSA-N 2 2 290.371 0.461 20 0 CCADLP C[C@@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)c1[nH+]ccn1C ZINC000667252076 545142192 /nfs/dbraw/zinc/14/21/92/545142192.db2.gz AELCPGQWFCPWNW-MFKMUULPSA-N 2 2 283.376 0.093 20 0 CCADLP C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@@H]1CCNC1=O ZINC000667710522 545154432 /nfs/dbraw/zinc/15/44/32/545154432.db2.gz GYTZXZJXXNBEMO-CYBMUJFWSA-N 2 2 271.324 0.588 20 0 CCADLP C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@@H]1CCNC1=O ZINC000667710522 545154433 /nfs/dbraw/zinc/15/44/33/545154433.db2.gz GYTZXZJXXNBEMO-CYBMUJFWSA-N 2 2 271.324 0.588 20 0 CCADLP COCC[N@H+](C)CCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000667993702 545160371 /nfs/dbraw/zinc/16/03/71/545160371.db2.gz IGSPCGBJUMTJTP-LLVKDONJSA-N 2 2 280.372 0.209 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000667993702 545160372 /nfs/dbraw/zinc/16/03/72/545160372.db2.gz IGSPCGBJUMTJTP-LLVKDONJSA-N 2 2 280.372 0.209 20 0 CCADLP COCC[N@H+](C)CCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000667993702 545160373 /nfs/dbraw/zinc/16/03/73/545160373.db2.gz IGSPCGBJUMTJTP-LLVKDONJSA-N 2 2 280.372 0.209 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000667993702 545160374 /nfs/dbraw/zinc/16/03/74/545160374.db2.gz IGSPCGBJUMTJTP-LLVKDONJSA-N 2 2 280.372 0.209 20 0 CCADLP NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668042225 545162307 /nfs/dbraw/zinc/16/23/07/545162307.db2.gz NHPPBEXRYLRJGQ-SUHUHFCYSA-N 2 2 274.368 0.915 20 0 CCADLP NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668042225 545162308 /nfs/dbraw/zinc/16/23/08/545162308.db2.gz NHPPBEXRYLRJGQ-SUHUHFCYSA-N 2 2 274.368 0.915 20 0 CCADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)CCCn1cc[nH+]c1 ZINC000668042685 545162347 /nfs/dbraw/zinc/16/23/47/545162347.db2.gz JHHYGEAOGATBEM-ZIAGYGMSSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)CCCn1cc[nH+]c1 ZINC000668042685 545162348 /nfs/dbraw/zinc/16/23/48/545162348.db2.gz JHHYGEAOGATBEM-ZIAGYGMSSA-N 2 2 294.399 0.577 20 0 CCADLP COCC[N@H+](Cc1c[nH+]c(C)n1C)[C@H]1CCOC1 ZINC000668081418 545162740 /nfs/dbraw/zinc/16/27/40/545162740.db2.gz YFFFUDREZBGRAM-LBPRGKRZSA-N 2 2 253.346 0.966 20 0 CCADLP COCC[N@@H+](Cc1c[nH+]c(C)n1C)[C@H]1CCOC1 ZINC000668081418 545162741 /nfs/dbraw/zinc/16/27/41/545162741.db2.gz YFFFUDREZBGRAM-LBPRGKRZSA-N 2 2 253.346 0.966 20 0 CCADLP CCC[N@H+](Cc1c[nH+]c(C)n1C)[C@H]1CC(=O)N(C)C1=O ZINC000668110124 545163608 /nfs/dbraw/zinc/16/36/08/545163608.db2.gz XOANXNUPPODPAX-LBPRGKRZSA-N 2 2 278.356 0.698 20 0 CCADLP CCC[N@@H+](Cc1c[nH+]c(C)n1C)[C@H]1CC(=O)N(C)C1=O ZINC000668110124 545163609 /nfs/dbraw/zinc/16/36/09/545163609.db2.gz XOANXNUPPODPAX-LBPRGKRZSA-N 2 2 278.356 0.698 20 0 CCADLP C[NH+](C)CCN(CC[NH+](C)C)Cc1c[nH+]c2n1CCC2 ZINC000668161204 545165647 /nfs/dbraw/zinc/16/56/47/545165647.db2.gz VEJAEISVJXIJAY-UHFFFAOYSA-N 3 2 279.432 0.755 20 0 CCADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)n1C ZINC000668193563 545166639 /nfs/dbraw/zinc/16/66/39/545166639.db2.gz IMNLOSOXTLRRQE-CYBMUJFWSA-N 2 2 290.371 0.649 20 0 CCADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)n1C ZINC000668193563 545166640 /nfs/dbraw/zinc/16/66/40/545166640.db2.gz IMNLOSOXTLRRQE-CYBMUJFWSA-N 2 2 290.371 0.649 20 0 CCADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492895143 527713541 /nfs/dbraw/zinc/71/35/41/527713541.db2.gz HWCPDUQFIIEWGO-SZZPACECSA-N 2 2 280.372 0.896 20 0 CCADLP CCC[C@@H](OC)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000450038540 527714057 /nfs/dbraw/zinc/71/40/57/527714057.db2.gz AVHGPMLGQFUOEL-CQSZACIVSA-N 2 2 285.432 0.944 20 0 CCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)C2([NH+](C)C)CC2)CC1 ZINC000668685602 545187347 /nfs/dbraw/zinc/18/73/47/545187347.db2.gz RIQYPZQSNIXHBJ-CQSZACIVSA-N 2 2 296.459 0.470 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000668623226 545184105 /nfs/dbraw/zinc/18/41/05/545184105.db2.gz BWRCAOYYKCMTOK-AWEZNQCLSA-N 3 2 297.447 0.144 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000668623226 545184106 /nfs/dbraw/zinc/18/41/06/545184106.db2.gz BWRCAOYYKCMTOK-AWEZNQCLSA-N 3 2 297.447 0.144 20 0 CCADLP COC[C@H](C)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000668793275 545190899 /nfs/dbraw/zinc/19/08/99/545190899.db2.gz VPADBAZTIBUJJS-GFCCVEGCSA-N 2 2 252.362 0.825 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000423872945 527894455 /nfs/dbraw/zinc/89/44/55/527894455.db2.gz QRPZGCUXQXONHB-SWLSCSKDSA-N 2 2 293.415 0.753 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492915824 527955056 /nfs/dbraw/zinc/95/50/56/527955056.db2.gz YBTWYIDMNQQFMF-ARJAWSKDSA-N 2 2 292.383 0.992 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)[C@@H](C)[NH2+]C2CC2)CC1 ZINC000449145118 527960063 /nfs/dbraw/zinc/96/00/63/527960063.db2.gz WGMNHZMNPIABIQ-CYBMUJFWSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H](CNC(=O)C1([NH+](C)C)CC1)C[NH+]1CCOCC1 ZINC000669003698 545197401 /nfs/dbraw/zinc/19/74/01/545197401.db2.gz FPTJPLIJTPUBDZ-LBPRGKRZSA-N 2 2 269.389 0.165 20 0 CCADLP CCNC(=O)C[NH+]1CCN(c2cc[nH+]c(CC)c2)CC1 ZINC000450242869 528095202 /nfs/dbraw/zinc/09/52/02/528095202.db2.gz KFYAGKCWUQKAKJ-UHFFFAOYSA-N 2 2 276.384 0.902 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)NC[C@H]2CCCC[NH2+]2)CCO1 ZINC000669439236 545208073 /nfs/dbraw/zinc/20/80/73/545208073.db2.gz XZMFLXDJDCNOAW-CYBMUJFWSA-N 2 2 298.431 0.539 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)NC[C@H]2CCCC[NH2+]2)CCO1 ZINC000669439236 545208074 /nfs/dbraw/zinc/20/80/74/545208074.db2.gz XZMFLXDJDCNOAW-CYBMUJFWSA-N 2 2 298.431 0.539 20 0 CCADLP CCN(CC)S(=O)(=O)CC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422856722 528210132 /nfs/dbraw/zinc/21/01/32/528210132.db2.gz FYOLNCTYSAHZOF-QWRGUYRKSA-N 2 2 263.407 0.127 20 0 CCADLP Cc1cccn2cc(CCNC(=O)N3CC[C@@H]([NH3+])C3)[nH+]c12 ZINC000669512139 545211549 /nfs/dbraw/zinc/21/15/49/545211549.db2.gz YRAQLOCMESVOAG-GFCCVEGCSA-N 2 2 287.367 0.928 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCO)[C@H](C)C1 ZINC000428140347 528220667 /nfs/dbraw/zinc/22/06/67/528220667.db2.gz FRAMCHXVGJSUEN-ZIAGYGMSSA-N 2 2 283.416 0.386 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCO)[C@H](C)C1 ZINC000428140347 528220672 /nfs/dbraw/zinc/22/06/72/528220672.db2.gz FRAMCHXVGJSUEN-ZIAGYGMSSA-N 2 2 283.416 0.386 20 0 CCADLP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000428140347 528220676 /nfs/dbraw/zinc/22/06/76/528220676.db2.gz FRAMCHXVGJSUEN-ZIAGYGMSSA-N 2 2 283.416 0.386 20 0 CCADLP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000428140347 528220679 /nfs/dbraw/zinc/22/06/79/528220679.db2.gz FRAMCHXVGJSUEN-ZIAGYGMSSA-N 2 2 283.416 0.386 20 0 CCADLP CC(C)C[C@@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000669541278 545214063 /nfs/dbraw/zinc/21/40/63/545214063.db2.gz DTCKLIHRLVRLSQ-VXGBXAGGSA-N 2 2 256.394 0.705 20 0 CCADLP CC(C)C[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000669541278 545214064 /nfs/dbraw/zinc/21/40/64/545214064.db2.gz DTCKLIHRLVRLSQ-VXGBXAGGSA-N 2 2 256.394 0.705 20 0 CCADLP COc1cccc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)c1F ZINC000669680583 545218767 /nfs/dbraw/zinc/21/87/67/545218767.db2.gz DYTWGNOLUCCNBL-UHFFFAOYSA-N 2 2 295.358 0.698 20 0 CCADLP CC(C)OC[C@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000669680619 545219146 /nfs/dbraw/zinc/21/91/46/545219146.db2.gz KEUWFXOTCMPRMG-LBPRGKRZSA-N 2 2 257.378 0.164 20 0 CCADLP CCC[NH2+]CCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000418484646 528490383 /nfs/dbraw/zinc/49/03/83/528490383.db2.gz ZEPBQKSHJKFEDC-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[NH2+]CCNC(=O)NCc1[nH+]ccn1CC ZINC000418262005 528500193 /nfs/dbraw/zinc/50/01/93/528500193.db2.gz HZPZVFAPVCHVHC-UHFFFAOYSA-N 2 2 253.350 0.702 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000418212789 528523515 /nfs/dbraw/zinc/52/35/15/528523515.db2.gz LYHQSXWTUDITRB-OLZOCXBDSA-N 2 2 284.404 0.132 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000418212789 528523522 /nfs/dbraw/zinc/52/35/22/528523522.db2.gz LYHQSXWTUDITRB-OLZOCXBDSA-N 2 2 284.404 0.132 20 0 CCADLP CC(C)n1c[nH+]cc1CN1CC[N@H+](CCO)[C@H](C)C1 ZINC000425347028 528620163 /nfs/dbraw/zinc/62/01/63/528620163.db2.gz XAHCBFOAOUCGKZ-CYBMUJFWSA-N 2 2 266.389 0.962 20 0 CCADLP CC(C)n1c[nH+]cc1CN1CC[N@@H+](CCO)[C@H](C)C1 ZINC000425347028 528620171 /nfs/dbraw/zinc/62/01/71/528620171.db2.gz XAHCBFOAOUCGKZ-CYBMUJFWSA-N 2 2 266.389 0.962 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456220148 528812212 /nfs/dbraw/zinc/81/22/12/528812212.db2.gz VXLBLTRNTSEOBR-BETUJISGSA-N 2 2 269.389 0.306 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456220148 528812215 /nfs/dbraw/zinc/81/22/15/528812215.db2.gz VXLBLTRNTSEOBR-BETUJISGSA-N 2 2 269.389 0.306 20 0 CCADLP CC(C)[NH+](C)CC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456220148 528812219 /nfs/dbraw/zinc/81/22/19/528812219.db2.gz VXLBLTRNTSEOBR-BETUJISGSA-N 2 2 269.389 0.306 20 0 CCADLP CC(C)[NH+](C)CC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456220148 528812221 /nfs/dbraw/zinc/81/22/21/528812221.db2.gz VXLBLTRNTSEOBR-BETUJISGSA-N 2 2 269.389 0.306 20 0 CCADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000423878911 528860123 /nfs/dbraw/zinc/86/01/23/528860123.db2.gz QMTRTVVZYVNVHO-ZDUSSCGKSA-N 2 2 294.399 0.673 20 0 CCADLP CCc1nc(N2CC[NH+](CC(=O)N(C)C)CC2)cc(C)[nH+]1 ZINC000672143151 545262947 /nfs/dbraw/zinc/26/29/47/545262947.db2.gz ONWCXLQFSUHXIN-UHFFFAOYSA-N 2 2 291.399 0.558 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672158352 545264161 /nfs/dbraw/zinc/26/41/61/545264161.db2.gz WYNCECNAZLHENA-NSHDSACASA-N 2 2 250.346 0.654 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672158352 545264162 /nfs/dbraw/zinc/26/41/62/545264162.db2.gz WYNCECNAZLHENA-NSHDSACASA-N 2 2 250.346 0.654 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCO[C@@H](C)[C@H]2C)CC1 ZINC000361678099 528977814 /nfs/dbraw/zinc/97/78/14/528977814.db2.gz LRYNQPSIFQFLOK-OLZOCXBDSA-N 2 2 283.416 0.696 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCO[C@@H](C)[C@H]2C)CC1 ZINC000361678099 528977820 /nfs/dbraw/zinc/97/78/20/528977820.db2.gz LRYNQPSIFQFLOK-OLZOCXBDSA-N 2 2 283.416 0.696 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000428032658 528978334 /nfs/dbraw/zinc/97/83/34/528978334.db2.gz ORFDNBTZNPQZDF-HIFRSBDPSA-N 3 2 294.443 0.271 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000428032658 528978338 /nfs/dbraw/zinc/97/83/38/528978338.db2.gz ORFDNBTZNPQZDF-HIFRSBDPSA-N 3 2 294.443 0.271 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000423864867 528990937 /nfs/dbraw/zinc/99/09/37/528990937.db2.gz JQFONCYTGDIHCV-CABCVRRESA-N 2 2 297.443 0.787 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000423864867 528990940 /nfs/dbraw/zinc/99/09/40/528990940.db2.gz JQFONCYTGDIHCV-CABCVRRESA-N 2 2 297.443 0.787 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000423675189 529126951 /nfs/dbraw/zinc/12/69/51/529126951.db2.gz ICOMTDRWQINHRH-STQMWFEESA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000423675189 529126953 /nfs/dbraw/zinc/12/69/53/529126953.db2.gz ICOMTDRWQINHRH-STQMWFEESA-N 2 2 298.431 0.029 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@](O)(CC)C2)CC1 ZINC000425931272 529132656 /nfs/dbraw/zinc/13/26/56/529132656.db2.gz PPKKCIFPMPRQIQ-DZGCQCFKSA-N 2 2 283.416 0.386 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@](O)(CC)C2)CC1 ZINC000425931272 529132657 /nfs/dbraw/zinc/13/26/57/529132657.db2.gz PPKKCIFPMPRQIQ-DZGCQCFKSA-N 2 2 283.416 0.386 20 0 CCADLP Cc1nc(N2CC[NH+](C(C)(C)CO)CC2)cc[nH+]1 ZINC000673885645 545294399 /nfs/dbraw/zinc/29/43/99/545294399.db2.gz SYPXFOYOGQIWEG-UHFFFAOYSA-N 2 2 250.346 0.678 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)NCC(C)(C)[NH3+])CCO1 ZINC000418415075 529292804 /nfs/dbraw/zinc/29/28/04/529292804.db2.gz MUGKAIITHRFXLP-NSHDSACASA-N 2 2 272.393 0.134 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)NCC(C)(C)[NH3+])CCO1 ZINC000418415075 529292805 /nfs/dbraw/zinc/29/28/05/529292805.db2.gz MUGKAIITHRFXLP-NSHDSACASA-N 2 2 272.393 0.134 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)NC[C@@H]2CCC[NH2+]2)CCO1 ZINC000418368899 529292970 /nfs/dbraw/zinc/29/29/70/529292970.db2.gz NBPMRDLWKABXQI-STQMWFEESA-N 2 2 284.404 0.148 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)NC[C@@H]2CCC[NH2+]2)CCO1 ZINC000418368899 529292971 /nfs/dbraw/zinc/29/29/71/529292971.db2.gz NBPMRDLWKABXQI-STQMWFEESA-N 2 2 284.404 0.148 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)N[C@H](C[NH3+])C2CC2)CCO1 ZINC000418405403 529293601 /nfs/dbraw/zinc/29/36/01/529293601.db2.gz RCBYSOSULONLTH-QWHCGFSZSA-N 2 2 284.404 0.134 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)N[C@H](C[NH3+])C2CC2)CCO1 ZINC000418405403 529293602 /nfs/dbraw/zinc/29/36/02/529293602.db2.gz RCBYSOSULONLTH-QWHCGFSZSA-N 2 2 284.404 0.134 20 0 CCADLP C[C@@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1)[NH+](C)C ZINC000674245769 545301172 /nfs/dbraw/zinc/30/11/72/545301172.db2.gz WJSVFKNQKZUDSS-LBPRGKRZSA-N 2 2 291.399 0.722 20 0 CCADLP C[C@@H](C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[NH+](C)C ZINC000674288052 545302606 /nfs/dbraw/zinc/30/26/06/545302606.db2.gz NWGSFODFVILMOF-ZDUSSCGKSA-N 3 2 296.459 0.611 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@]3(C)CCCO3)C2)CC1 ZINC000674799118 545313736 /nfs/dbraw/zinc/31/37/36/545313736.db2.gz AWIMVYNMHUMVNJ-BBRMVZONSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@]3(C)CCCO3)C2)CC1 ZINC000674799118 545313737 /nfs/dbraw/zinc/31/37/37/545313737.db2.gz AWIMVYNMHUMVNJ-BBRMVZONSA-N 2 2 295.427 0.840 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674677803 545309998 /nfs/dbraw/zinc/30/99/98/545309998.db2.gz WQBOEPFYEJYBNJ-ZDUSSCGKSA-N 2 2 280.372 0.673 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674677803 545309999 /nfs/dbraw/zinc/30/99/99/545309999.db2.gz WQBOEPFYEJYBNJ-ZDUSSCGKSA-N 2 2 280.372 0.673 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000358594896 535250170 /nfs/dbraw/zinc/25/01/70/535250170.db2.gz QSUAHLXWPGEVHG-LBPRGKRZSA-N 2 2 257.378 0.165 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000358594896 535250177 /nfs/dbraw/zinc/25/01/77/535250177.db2.gz QSUAHLXWPGEVHG-LBPRGKRZSA-N 2 2 257.378 0.165 20 0 CCADLP CN(C)c1nc(N2CC[NH+](CC3(O)CCC3)CC2)cc[nH+]1 ZINC000675069204 545320868 /nfs/dbraw/zinc/32/08/68/545320868.db2.gz QUVHZNUBUYJHFW-UHFFFAOYSA-N 2 2 291.399 0.580 20 0 CCADLP CC(C)[C@H](C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C)[NH+](C)C ZINC000342254936 535322504 /nfs/dbraw/zinc/32/25/04/535322504.db2.gz TVICTGBMRKQVBQ-SOUVJXGZSA-N 2 2 297.443 0.894 20 0 CCADLP CC(C)CCNC(=O)[C@H](C)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453399 535385262 /nfs/dbraw/zinc/38/52/62/535385262.db2.gz IYWUSKQLAXBJRC-AVGNSLFASA-N 2 2 253.390 0.688 20 0 CCADLP CC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000675782477 545331264 /nfs/dbraw/zinc/33/12/64/545331264.db2.gz UMSIUOVKLHQJBQ-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP Cc1nc(N2CCC([NH2+]C3CC3)CC2)nc(N(C)C)[nH+]1 ZINC000676305987 545340524 /nfs/dbraw/zinc/34/05/24/545340524.db2.gz PVHLCTQFOYBQPI-UHFFFAOYSA-N 2 2 276.388 0.967 20 0 CCADLP Cc1nc(N(C)C)nc(N2CCC([NH2+]C3CC3)CC2)[nH+]1 ZINC000676305987 545340525 /nfs/dbraw/zinc/34/05/25/545340525.db2.gz PVHLCTQFOYBQPI-UHFFFAOYSA-N 2 2 276.388 0.967 20 0 CCADLP CCN1CCN(CC(C)(C)[NH3+])C[C@@H]1c1[nH]cc[nH+]1 ZINC000261994110 535668416 /nfs/dbraw/zinc/66/84/16/535668416.db2.gz SSHCBWBCCAUPPX-LLVKDONJSA-N 2 2 251.378 0.826 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3c(C)cnn3C)C2)CC1 ZINC000368014659 535737273 /nfs/dbraw/zinc/73/72/73/535737273.db2.gz AWHLAFAXAMFMEU-OAHLLOKOSA-N 2 2 291.443 0.940 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c(C)cnn3C)C2)CC1 ZINC000368014659 535737293 /nfs/dbraw/zinc/73/72/93/535737293.db2.gz AWHLAFAXAMFMEU-OAHLLOKOSA-N 2 2 291.443 0.940 20 0 CCADLP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000343487341 535740825 /nfs/dbraw/zinc/74/08/25/535740825.db2.gz CIHQVRTZQNTRDP-RRFJBIMHSA-N 3 2 268.449 0.552 20 0 CCADLP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000343487341 535740833 /nfs/dbraw/zinc/74/08/33/535740833.db2.gz CIHQVRTZQNTRDP-RRFJBIMHSA-N 3 2 268.449 0.552 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCCN(C)S(=O)(=O)CC)C1 ZINC000357999702 535781604 /nfs/dbraw/zinc/78/16/04/535781604.db2.gz ANCPAIFYWSSDHJ-QWHCGFSZSA-N 2 2 291.461 0.588 20 0 CCADLP C[NH+](C)Cc1ccc(C(=O)N2CCn3c[nH+]cc3C2)cn1 ZINC000368647959 535996018 /nfs/dbraw/zinc/99/60/18/535996018.db2.gz PNDPBPLBOQQNTF-UHFFFAOYSA-N 2 2 285.351 0.996 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000678715617 545396507 /nfs/dbraw/zinc/39/65/07/545396507.db2.gz ZXXARUJZNVHZQA-OWCLPIDISA-N 2 2 297.443 0.238 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC=CCC2)CC1 ZINC000679324353 545407057 /nfs/dbraw/zinc/40/70/57/545407057.db2.gz QGUMECRPVFPHFQ-CYBMUJFWSA-N 2 2 251.374 0.801 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC=CCC2)CC1 ZINC000679324353 545407058 /nfs/dbraw/zinc/40/70/58/545407058.db2.gz QGUMECRPVFPHFQ-CYBMUJFWSA-N 2 2 251.374 0.801 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@H](C)[NH+](C)C)CC2)cc[nH+]1 ZINC000680604081 545433494 /nfs/dbraw/zinc/43/34/94/545433494.db2.gz SJFMUUCGRLYHPD-NSHDSACASA-N 2 2 277.372 0.384 20 0 CCADLP CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682491921 545480608 /nfs/dbraw/zinc/48/06/08/545480608.db2.gz SJSNRMBQTMPJFG-CYBMUJFWSA-N 2 2 276.384 1.000 20 0 CCADLP C[N@H+]1C[C@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@H]2C1 ZINC000683880218 545575294 /nfs/dbraw/zinc/57/52/94/545575294.db2.gz LYLPNWJQQIRBCI-BETUJISGSA-N 2 2 262.357 0.683 20 0 CCADLP C[N@@H+]1C[C@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@H]2C1 ZINC000683880218 545575297 /nfs/dbraw/zinc/57/52/97/545575297.db2.gz LYLPNWJQQIRBCI-BETUJISGSA-N 2 2 262.357 0.683 20 0 CCADLP Cn1cnc(C[N@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000683900336 545578971 /nfs/dbraw/zinc/57/89/71/545578971.db2.gz TZZKKCJNDORKHK-UHFFFAOYSA-N 2 2 265.405 0.489 20 0 CCADLP CO[C@@H]1CCC[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1 ZINC000684371906 545657436 /nfs/dbraw/zinc/65/74/36/545657436.db2.gz KPZAPOCTDLMQIW-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H]1CCC[N@@H+]1CC[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000777483155 581116502 /nfs/dbraw/zinc/11/65/02/581116502.db2.gz HFCVCODBQPSAFL-BZUNDVKYSA-N 2 2 294.399 0.581 20 0 CCADLP C[C@H]1CCC[N@H+]1CC[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000777483155 581116504 /nfs/dbraw/zinc/11/65/04/581116504.db2.gz HFCVCODBQPSAFL-BZUNDVKYSA-N 2 2 294.399 0.581 20 0 CCADLP CCOC(=O)C[N@@H+]1CCCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000725790651 581133699 /nfs/dbraw/zinc/13/36/99/581133699.db2.gz KOQRPPIPYQGIGT-UHFFFAOYSA-N 2 2 293.371 0.442 20 0 CCADLP CCOC(=O)C[N@H+]1CCCN(c2cc(C)[nH+]c(N)n2)CC1 ZINC000725790651 581133703 /nfs/dbraw/zinc/13/37/03/581133703.db2.gz KOQRPPIPYQGIGT-UHFFFAOYSA-N 2 2 293.371 0.442 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccc(F)nc2)CC1 ZINC000778165445 581143866 /nfs/dbraw/zinc/14/38/66/581143866.db2.gz PDEZIMUAQLNFPM-UHFFFAOYSA-N 2 2 266.320 0.084 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CCOCC2CC2)CC1 ZINC000131440926 581145771 /nfs/dbraw/zinc/14/57/71/581145771.db2.gz RGIMBBLHCCOXRJ-OAHLLOKOSA-N 2 2 295.427 0.827 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CCOCC2CC2)CC1 ZINC000131440926 581145773 /nfs/dbraw/zinc/14/57/73/581145773.db2.gz RGIMBBLHCCOXRJ-OAHLLOKOSA-N 2 2 295.427 0.827 20 0 CCADLP C[C@@H]1OCC[C@@]12C[N@H+](C[C@H](O)C[NH+]1CCCC1)C[C@@H](C)O2 ZINC000790365516 581185100 /nfs/dbraw/zinc/18/51/00/581185100.db2.gz BRQDTLXHTGPQBW-QKPAOTATSA-N 2 2 298.427 0.711 20 0 CCADLP C[C@@H]1OCC[C@@]12C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C[C@@H](C)O2 ZINC000790365516 581185102 /nfs/dbraw/zinc/18/51/02/581185102.db2.gz BRQDTLXHTGPQBW-QKPAOTATSA-N 2 2 298.427 0.711 20 0 CCADLP C[C@H]1OCC[C@]12C[N@H+](C[C@H](O)C[NH+]1CCCC1)C[C@@H](C)O2 ZINC000790365511 581185267 /nfs/dbraw/zinc/18/52/67/581185267.db2.gz BRQDTLXHTGPQBW-FPCVCCKLSA-N 2 2 298.427 0.711 20 0 CCADLP C[C@H]1OCC[C@]12C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C[C@@H](C)O2 ZINC000790365511 581185269 /nfs/dbraw/zinc/18/52/69/581185269.db2.gz BRQDTLXHTGPQBW-FPCVCCKLSA-N 2 2 298.427 0.711 20 0 CCADLP CC[C@@H](CO)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000779775274 581203270 /nfs/dbraw/zinc/20/32/70/581203270.db2.gz CIKRRJYVIWNRDD-ZFWWWQNUSA-N 2 2 297.443 0.632 20 0 CCADLP CC[C@@H](CO)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000779775274 581203272 /nfs/dbraw/zinc/20/32/72/581203272.db2.gz CIKRRJYVIWNRDD-ZFWWWQNUSA-N 2 2 297.443 0.632 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCC2OCCO2)C1 ZINC000791048558 581205770 /nfs/dbraw/zinc/20/57/70/581205770.db2.gz RJXSAIIEGLWVCS-NSHDSACASA-N 2 2 251.330 0.972 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCC2OCCO2)C1 ZINC000791048558 581205772 /nfs/dbraw/zinc/20/57/72/581205772.db2.gz RJXSAIIEGLWVCS-NSHDSACASA-N 2 2 251.330 0.972 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)N[C@@H]2CCC[NH+](C)C2)CCO1 ZINC000726252525 581234130 /nfs/dbraw/zinc/23/41/30/581234130.db2.gz IKYDQRFPZUIYTG-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCC[NH+](C)C2)CCO1 ZINC000726252525 581234132 /nfs/dbraw/zinc/23/41/32/581234132.db2.gz IKYDQRFPZUIYTG-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)N[C@@H]2CCC[N@H+](C)C2)CCO1 ZINC000726252525 581234135 /nfs/dbraw/zinc/23/41/35/581234135.db2.gz IKYDQRFPZUIYTG-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)N[C@@H]2CCC[N@@H+](C)C2)CCO1 ZINC000726252525 581234138 /nfs/dbraw/zinc/23/41/38/581234138.db2.gz IKYDQRFPZUIYTG-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP CC[NH+](CC)CCNC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000726257101 581234844 /nfs/dbraw/zinc/23/48/44/581234844.db2.gz PXNCTWVTGXKCBO-CYBMUJFWSA-N 2 2 286.420 0.348 20 0 CCADLP CC[NH+](CC)CCNC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000726257101 581234846 /nfs/dbraw/zinc/23/48/46/581234846.db2.gz PXNCTWVTGXKCBO-CYBMUJFWSA-N 2 2 286.420 0.348 20 0 CCADLP OC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000782062121 581286776 /nfs/dbraw/zinc/28/67/76/581286776.db2.gz FTSCNHRXHKYXIR-GJZGRUSLSA-N 2 2 282.359 0.905 20 0 CCADLP Cc1nc(NC[C@H](O)C[NH+](C)C)c2c([nH+]1)CCCC2 ZINC000782140730 581289866 /nfs/dbraw/zinc/28/98/66/581289866.db2.gz GTDHSCHMUUZEHA-NSHDSACASA-N 2 2 264.373 0.998 20 0 CCADLP CCc1cc(N2CCC[N@H+](CC(N)=O)CC2)nc(C)[nH+]1 ZINC000782144231 581290398 /nfs/dbraw/zinc/29/03/98/581290398.db2.gz ZDASTPMUDYZKMA-UHFFFAOYSA-N 2 2 277.372 0.345 20 0 CCADLP CCc1cc(N2CCC[N@@H+](CC(N)=O)CC2)nc(C)[nH+]1 ZINC000782144231 581290399 /nfs/dbraw/zinc/29/03/99/581290399.db2.gz ZDASTPMUDYZKMA-UHFFFAOYSA-N 2 2 277.372 0.345 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)N1CC[NH+](C)CC1 ZINC000727863882 581336966 /nfs/dbraw/zinc/33/69/66/581336966.db2.gz LBVJHCDWHCJTTJ-UHFFFAOYSA-N 2 2 250.346 0.746 20 0 CCADLP COCC[N@H+](C)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783979607 581369781 /nfs/dbraw/zinc/36/97/81/581369781.db2.gz XVNMANWYPFMENU-LLVKDONJSA-N 2 2 266.345 0.272 20 0 CCADLP COCC[N@@H+](C)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783979607 581369785 /nfs/dbraw/zinc/36/97/85/581369785.db2.gz XVNMANWYPFMENU-LLVKDONJSA-N 2 2 266.345 0.272 20 0 CCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1CC[NH+]1CCCC1 ZINC000796375180 581438647 /nfs/dbraw/zinc/43/86/47/581438647.db2.gz DXPFUIKPMGCIAI-GJZGRUSLSA-N 2 2 267.417 0.877 20 0 CCADLP O=C1CC[C@@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)C(=O)N1 ZINC000765967481 581543295 /nfs/dbraw/zinc/54/32/95/581543295.db2.gz XKSBJGDFLDMGGE-SNVBAGLBSA-N 2 2 262.313 0.394 20 0 CCADLP CCn1cc[nH+]c1CN1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000734150125 581546189 /nfs/dbraw/zinc/54/61/89/581546189.db2.gz QDRHPNYRJIDNNE-AWEZNQCLSA-N 2 2 278.400 0.792 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3=COCC3)CC2)CC1 ZINC000734124732 581546864 /nfs/dbraw/zinc/54/68/64/581546864.db2.gz RFGJUCQSTPTXIX-UHFFFAOYSA-N 2 2 293.411 0.965 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+](CCCN2CCOC2=O)CC1 ZINC000734487175 581565871 /nfs/dbraw/zinc/56/58/71/581565871.db2.gz MPDAPCOTPXWZOU-UHFFFAOYSA-N 2 2 299.415 0.607 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+](CCCN2CCOC2=O)CC1 ZINC000734487175 581565874 /nfs/dbraw/zinc/56/58/74/581565874.db2.gz MPDAPCOTPXWZOU-UHFFFAOYSA-N 2 2 299.415 0.607 20 0 CCADLP CC(=O)CC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000734486575 581566035 /nfs/dbraw/zinc/56/60/35/581566035.db2.gz HMZKQXRQSRFENX-CQSZACIVSA-N 2 2 253.390 0.677 20 0 CCADLP CC(=O)CC[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000734486575 581566036 /nfs/dbraw/zinc/56/60/36/581566036.db2.gz HMZKQXRQSRFENX-CQSZACIVSA-N 2 2 253.390 0.677 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000729929492 581623690 /nfs/dbraw/zinc/62/36/90/581623690.db2.gz YCACDVWIEPZWAH-GJZGRUSLSA-N 2 2 278.400 0.977 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000729929492 581623693 /nfs/dbraw/zinc/62/36/93/581623693.db2.gz YCACDVWIEPZWAH-GJZGRUSLSA-N 2 2 278.400 0.977 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000729929492 581623696 /nfs/dbraw/zinc/62/36/96/581623696.db2.gz YCACDVWIEPZWAH-GJZGRUSLSA-N 3 2 278.400 0.977 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000729929492 581623700 /nfs/dbraw/zinc/62/37/00/581623700.db2.gz YCACDVWIEPZWAH-GJZGRUSLSA-N 3 2 278.400 0.977 20 0 CCADLP CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000743272545 581806289 /nfs/dbraw/zinc/80/62/89/581806289.db2.gz XYQVKCKOIGIWRA-LSDHHAIUSA-N 2 2 297.443 0.776 20 0 CCADLP CCN(CC)C(=O)[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000743272545 581806291 /nfs/dbraw/zinc/80/62/91/581806291.db2.gz XYQVKCKOIGIWRA-LSDHHAIUSA-N 2 2 297.443 0.776 20 0 CCADLP CC(C)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000732200635 581809231 /nfs/dbraw/zinc/80/92/31/581809231.db2.gz FPYVEDBFFPUJHE-UHFFFAOYSA-N 2 2 255.406 0.781 20 0 CCADLP CC(C)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000732200635 581809233 /nfs/dbraw/zinc/80/92/33/581809233.db2.gz FPYVEDBFFPUJHE-UHFFFAOYSA-N 2 2 255.406 0.781 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCCC1)C1(C(N)=O)CCCC1 ZINC000772234120 581833689 /nfs/dbraw/zinc/83/36/89/581833689.db2.gz FHJQPFORPMUADA-LBPRGKRZSA-N 2 2 269.389 0.173 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1(C(N)=O)CCCC1 ZINC000772234120 581833693 /nfs/dbraw/zinc/83/36/93/581833693.db2.gz FHJQPFORPMUADA-LBPRGKRZSA-N 2 2 269.389 0.173 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000761123093 581890373 /nfs/dbraw/zinc/89/03/73/581890373.db2.gz KCVHZSXUHRNQGQ-ZIAGYGMSSA-N 2 2 254.374 0.554 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000761123093 581890377 /nfs/dbraw/zinc/89/03/77/581890377.db2.gz KCVHZSXUHRNQGQ-ZIAGYGMSSA-N 2 2 254.374 0.554 20 0 CCADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H]2CCOC2=O)C1 ZINC000746675773 581922153 /nfs/dbraw/zinc/92/21/53/581922153.db2.gz OWIQXJWYVWCRFF-OLZOCXBDSA-N 2 2 270.373 0.735 20 0 CCADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H]2CCOC2=O)C1 ZINC000746675773 581922154 /nfs/dbraw/zinc/92/21/54/581922154.db2.gz OWIQXJWYVWCRFF-OLZOCXBDSA-N 2 2 270.373 0.735 20 0 CCADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cn1ncn(C)c1=O ZINC000762075118 581930348 /nfs/dbraw/zinc/93/03/48/581930348.db2.gz PBAGHIZVRMZDRA-UHFFFAOYSA-N 2 2 292.387 0.710 20 0 CCADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cn1ncn(C)c1=O ZINC000762075118 581930350 /nfs/dbraw/zinc/93/03/50/581930350.db2.gz PBAGHIZVRMZDRA-UHFFFAOYSA-N 2 2 292.387 0.710 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(Cl)nc2)C1 ZINC000762555296 581951050 /nfs/dbraw/zinc/95/10/50/581951050.db2.gz DUVNBDUSUFVWID-LBPRGKRZSA-N 2 2 255.749 0.891 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(Cl)nc2)C1 ZINC000762555296 581951052 /nfs/dbraw/zinc/95/10/52/581951052.db2.gz DUVNBDUSUFVWID-LBPRGKRZSA-N 2 2 255.749 0.891 20 0 CCADLP CC(C)OC[C@@H](CO)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000763877175 582018128 /nfs/dbraw/zinc/01/81/28/582018128.db2.gz FVNTUHAKMSOWMH-KGLIPLIRSA-N 2 2 274.405 0.161 20 0 CCADLP CC(C)OC[C@@H](CO)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000763877175 582018129 /nfs/dbraw/zinc/01/81/29/582018129.db2.gz FVNTUHAKMSOWMH-KGLIPLIRSA-N 2 2 274.405 0.161 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)N2CC[C@@H](C[NH+](C)C)C2)CCO1 ZINC000776515287 582075711 /nfs/dbraw/zinc/07/57/11/582075711.db2.gz SUBCLZQNIAQFDS-KBPBESRZSA-N 2 2 298.431 0.300 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)N2CC[C@@H](C[NH+](C)C)C2)CCO1 ZINC000776515287 582075713 /nfs/dbraw/zinc/07/57/13/582075713.db2.gz SUBCLZQNIAQFDS-KBPBESRZSA-N 2 2 298.431 0.300 20 0 CCADLP CCCOC(=O)[C@@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000843349360 614929000 /nfs/dbraw/zinc/92/90/00/614929000.db2.gz WOXPPEJTIUTWIS-GFCCVEGCSA-N 2 2 257.378 0.165 20 0 CCADLP CCCOC(=O)[C@@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000843349360 614929002 /nfs/dbraw/zinc/92/90/02/614929002.db2.gz WOXPPEJTIUTWIS-GFCCVEGCSA-N 2 2 257.378 0.165 20 0 CCADLP C[C@@H]([NH3+])CN(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000877105246 617174736 /nfs/dbraw/zinc/17/47/36/617174736.db2.gz NFJSQKBAKRPDID-YPMHNXCESA-N 2 2 269.389 0.435 20 0 CCADLP C[C@@H]([NH3+])CN(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000877105246 617174737 /nfs/dbraw/zinc/17/47/37/617174737.db2.gz NFJSQKBAKRPDID-YPMHNXCESA-N 2 2 269.389 0.435 20 0 CCADLP COc1cc([C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)on1 ZINC000924944795 617217071 /nfs/dbraw/zinc/21/70/71/617217071.db2.gz DYHHBKFKTUQULF-NSHDSACASA-N 2 2 296.371 0.498 20 0 CCADLP CC(C)CNC(=S)NCC[N@H+](C)CCC[NH+](C)C ZINC000849279997 614143250 /nfs/dbraw/zinc/14/32/50/614143250.db2.gz NQJQFBXVEXFNIY-UHFFFAOYSA-N 2 2 274.478 0.990 20 0 CCADLP CC(C)CNC(=S)NCC[N@@H+](C)CCC[NH+](C)C ZINC000849279997 614143252 /nfs/dbraw/zinc/14/32/52/614143252.db2.gz NQJQFBXVEXFNIY-UHFFFAOYSA-N 2 2 274.478 0.990 20 0 CCADLP CSC[C@@H](O)C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931519386 617250853 /nfs/dbraw/zinc/25/08/53/617250853.db2.gz SAJFNPAXYZOZTC-VIFPVBQESA-N 2 2 253.371 0.746 20 0 CCADLP CSC[C@@H](O)C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931519386 617250856 /nfs/dbraw/zinc/25/08/56/617250856.db2.gz SAJFNPAXYZOZTC-VIFPVBQESA-N 2 2 253.371 0.746 20 0 CCADLP C1CC[N@@H+]2CCC[C@H]([NH2+][C@@H]3CCc4nnnn4CC3)[C@H]2C1 ZINC000926605542 613224172 /nfs/dbraw/zinc/22/41/72/613224172.db2.gz DUXHVEXQLHTBGU-HZSPNIEDSA-N 2 2 290.415 0.985 20 0 CCADLP C1CC[N@H+]2CCC[C@H]([NH2+][C@@H]3CCc4nnnn4CC3)[C@H]2C1 ZINC000926605542 613224174 /nfs/dbraw/zinc/22/41/74/613224174.db2.gz DUXHVEXQLHTBGU-HZSPNIEDSA-N 2 2 290.415 0.985 20 0 CCADLP C(C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH2+]CC[NH2+]CC1 ZINC000904396375 613227723 /nfs/dbraw/zinc/22/77/23/613227723.db2.gz NAFZEIFMKCHODZ-AGUYFDCRSA-N 3 2 252.406 0.012 20 0 CCADLP C([NH2+][C@H]1C[NH2+]CCOC1)[C@@H]1C[C@H]1C1CCOCC1 ZINC000925733698 613228744 /nfs/dbraw/zinc/22/87/44/613228744.db2.gz LMWHNQRSTQPXAZ-IHRRRGAJSA-N 2 2 254.374 0.627 20 0 CCADLP C([NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261515 613230850 /nfs/dbraw/zinc/23/08/50/613230850.db2.gz PGHLFCUPFQRXOQ-YPUPRDRTSA-N 3 2 279.428 0.874 20 0 CCADLP C/C(=C/C(=O)N1CC[NH2+]C(C)(C)C1)C[NH+]1CCOCC1 ZINC000900938430 613230932 /nfs/dbraw/zinc/23/09/32/613230932.db2.gz XBTMTQCOVUXHOE-RAXLEYEMSA-N 2 2 281.400 0.475 20 0 CCADLP C/C(=C/C(=O)N[C@@H](C[NH+](C)C)C(C)C)C[NH+]1CCOCC1 ZINC000900692898 613238710 /nfs/dbraw/zinc/23/87/10/613238710.db2.gz LEQPFOQFCAGHLP-LTBFUDJGSA-N 2 2 297.443 0.967 20 0 CCADLP C/C(=C\C(=O)N1CCC[C@H]1C[NH+](C)C)C[NH+]1CCOCC1 ZINC000900522779 613250256 /nfs/dbraw/zinc/25/02/56/613250256.db2.gz HSAWYZINGFVAIZ-GOFCXVBSSA-N 2 2 295.427 0.818 20 0 CCADLP CC(C)(C)N1CC[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1=O ZINC000925709289 613937680 /nfs/dbraw/zinc/93/76/80/613937680.db2.gz HQYAJALHDRNING-VZKILSJISA-N 2 2 277.412 0.972 20 0 CCADLP CC(C)[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC000979452461 613965383 /nfs/dbraw/zinc/96/53/83/613965383.db2.gz YRBAIZYJWGLIKD-STQMWFEESA-N 2 2 280.372 0.497 20 0 CCADLP CC(C)[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C)[NH+]1CCOCC1 ZINC000913992666 614095807 /nfs/dbraw/zinc/09/58/07/614095807.db2.gz FWZDJPCNZMFWGJ-UONOGXRCSA-N 2 2 298.431 0.347 20 0 CCADLP CC(C)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+]1C)[NH+]1CCOCC1 ZINC000913992666 614095808 /nfs/dbraw/zinc/09/58/08/614095808.db2.gz FWZDJPCNZMFWGJ-UONOGXRCSA-N 2 2 298.431 0.347 20 0 CCADLP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@@H]2CCC(=O)O2)CC1 ZINC000852124321 614143860 /nfs/dbraw/zinc/14/38/60/614143860.db2.gz RYHFNKFNRBLYGU-ZDUSSCGKSA-N 2 2 284.400 0.765 20 0 CCADLP CC(C)(O)C[N@@H+]1CC[C@H](N[C@H]2C[NH+]3C[C@@H]2CCC3)C1 ZINC000926779859 614192686 /nfs/dbraw/zinc/19/26/86/614192686.db2.gz YVWHOIJTCASGNK-IHRRRGAJSA-N 2 2 267.417 0.515 20 0 CCADLP CC(C)(O)C[N@H+]1CC[C@H](N[C@H]2C[NH+]3C[C@@H]2CCC3)C1 ZINC000926779859 614192687 /nfs/dbraw/zinc/19/26/87/614192687.db2.gz YVWHOIJTCASGNK-IHRRRGAJSA-N 2 2 267.417 0.515 20 0 CCADLP CC(C)(O)C[NH+]1CC[C@H](N[C@H]2C[N@@H+]3C[C@@H]2CCC3)C1 ZINC000926779859 614192688 /nfs/dbraw/zinc/19/26/88/614192688.db2.gz YVWHOIJTCASGNK-IHRRRGAJSA-N 2 2 267.417 0.515 20 0 CCADLP CC(C)(O)C[NH+]1CC[C@H](N[C@H]2C[N@H+]3C[C@@H]2CCC3)C1 ZINC000926779859 614192690 /nfs/dbraw/zinc/19/26/90/614192690.db2.gz YVWHOIJTCASGNK-IHRRRGAJSA-N 2 2 267.417 0.515 20 0 CCADLP CC(C)[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000972727539 614281825 /nfs/dbraw/zinc/28/18/25/614281825.db2.gz DJTLMTJFTQVRDZ-LBPRGKRZSA-N 2 2 264.373 0.904 20 0 CCADLP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000972727539 614281827 /nfs/dbraw/zinc/28/18/27/614281827.db2.gz DJTLMTJFTQVRDZ-LBPRGKRZSA-N 2 2 264.373 0.904 20 0 CCADLP CC(C)[C@](C)(C[NH3+])NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876536010 614287058 /nfs/dbraw/zinc/28/70/58/614287058.db2.gz SRXZEYYBCGTDRE-NNTXTVRGSA-N 2 2 269.389 0.364 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCO)C[C@@H]1C ZINC000822160467 614339087 /nfs/dbraw/zinc/33/90/87/614339087.db2.gz SNKUVLJJSMZUEU-UONOGXRCSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCO)C[C@@H]1C ZINC000822160467 614339091 /nfs/dbraw/zinc/33/90/91/614339091.db2.gz SNKUVLJJSMZUEU-UONOGXRCSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000822160467 614339093 /nfs/dbraw/zinc/33/90/93/614339093.db2.gz SNKUVLJJSMZUEU-UONOGXRCSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000822160467 614339097 /nfs/dbraw/zinc/33/90/97/614339097.db2.gz SNKUVLJJSMZUEU-UONOGXRCSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCc1c[nH+]cn1C ZINC000936024209 614353783 /nfs/dbraw/zinc/35/37/83/614353783.db2.gz IPPYWNNYEIPTLQ-LBPRGKRZSA-N 2 2 250.346 0.909 20 0 CCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NCc1c[nH+]cn1C ZINC000936024209 614353785 /nfs/dbraw/zinc/35/37/85/614353785.db2.gz IPPYWNNYEIPTLQ-LBPRGKRZSA-N 2 2 250.346 0.909 20 0 CCADLP CC(C)[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000972571216 614364418 /nfs/dbraw/zinc/36/44/18/614364418.db2.gz AYFMMQUVDFVIPO-HNNXBMFYSA-N 2 2 292.383 0.664 20 0 CCADLP CC(C)[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000972571216 614364419 /nfs/dbraw/zinc/36/44/19/614364419.db2.gz AYFMMQUVDFVIPO-HNNXBMFYSA-N 2 2 292.383 0.664 20 0 CCADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898887412 614504404 /nfs/dbraw/zinc/50/44/04/614504404.db2.gz BRZJZTSBGFBKHH-QWRGUYRKSA-N 2 2 282.388 0.736 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000928639803 614518898 /nfs/dbraw/zinc/51/88/98/614518898.db2.gz LRQOMVHVSUKQJB-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC000928639803 614518899 /nfs/dbraw/zinc/51/88/99/614518899.db2.gz LRQOMVHVSUKQJB-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[NH+]1CC(N(CC)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC000957413009 614595828 /nfs/dbraw/zinc/59/58/28/614595828.db2.gz CBDOQJKMWXZJFV-CQSZACIVSA-N 2 2 283.416 0.650 20 0 CCADLP CCC[NH+]1CC(N(CC)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC000957413009 614595831 /nfs/dbraw/zinc/59/58/31/614595831.db2.gz CBDOQJKMWXZJFV-CQSZACIVSA-N 2 2 283.416 0.650 20 0 CCADLP CCN(C(=O)NCC[N@@H+]1CCOC(C)(C)C1)[C@@H]1CC[NH2+]C1 ZINC000891473156 614599108 /nfs/dbraw/zinc/59/91/08/614599108.db2.gz SSCCEKDRNFXDJJ-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CCN(C(=O)NCC[N@H+]1CCOC(C)(C)C1)[C@@H]1CC[NH2+]C1 ZINC000891473156 614599112 /nfs/dbraw/zinc/59/91/12/614599112.db2.gz SSCCEKDRNFXDJJ-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1C[NH+](CCOC)C1 ZINC000950628311 614617208 /nfs/dbraw/zinc/61/72/08/614617208.db2.gz UEFIUVCHIRTMLQ-AWEZNQCLSA-N 2 2 283.416 0.650 20 0 CCADLP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C1C[NH+](CCOC)C1 ZINC000950628311 614617209 /nfs/dbraw/zinc/61/72/09/614617209.db2.gz UEFIUVCHIRTMLQ-AWEZNQCLSA-N 2 2 283.416 0.650 20 0 CCADLP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1C[NH+](CCOC)C1 ZINC000957385023 614625729 /nfs/dbraw/zinc/62/57/29/614625729.db2.gz CLFIALZSNJPNLL-GFCCVEGCSA-N 2 2 269.389 0.117 20 0 CCADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1C[NH+](CCOC)C1 ZINC000957385023 614625731 /nfs/dbraw/zinc/62/57/31/614625731.db2.gz CLFIALZSNJPNLL-GFCCVEGCSA-N 2 2 269.389 0.117 20 0 CCADLP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C1 ZINC000902393279 614702381 /nfs/dbraw/zinc/70/23/81/614702381.db2.gz OSCDUZHLZKQJKG-CHWSQXEVSA-N 3 2 255.406 0.733 20 0 CCADLP CC1(C)C[NH2+]CC[C@H]1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876869274 614704090 /nfs/dbraw/zinc/70/40/90/614704090.db2.gz DIGMVIRYDUDNEV-ITDFMYJTSA-N 2 2 281.400 0.379 20 0 CCADLP CC1(C)OCC([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CO1 ZINC000848545406 614815327 /nfs/dbraw/zinc/81/53/27/614815327.db2.gz DTUOZAXSBGDEJZ-AWEZNQCLSA-N 2 2 284.400 0.981 20 0 CCADLP CC1(C)OC[C@H](C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)O1 ZINC000852708300 614833763 /nfs/dbraw/zinc/83/37/63/614833763.db2.gz WIYITYROPJHWQA-KBPBESRZSA-N 2 2 284.400 0.669 20 0 CCADLP CC1(C)OC[C@H](C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)O1 ZINC000852708300 614833764 /nfs/dbraw/zinc/83/37/64/614833764.db2.gz WIYITYROPJHWQA-KBPBESRZSA-N 2 2 284.400 0.669 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000884364257 614861579 /nfs/dbraw/zinc/86/15/79/614861579.db2.gz PFRYVEWASUUVCG-HBNTYKKESA-N 2 2 262.357 0.688 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1CNC(=O)NC ZINC000879338573 614866552 /nfs/dbraw/zinc/86/65/52/614866552.db2.gz WSDXALRHXDMFKD-OLZOCXBDSA-N 2 2 286.420 0.083 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1CNC(=O)NC ZINC000879338573 614866554 /nfs/dbraw/zinc/86/65/54/614866554.db2.gz WSDXALRHXDMFKD-OLZOCXBDSA-N 2 2 286.420 0.083 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC ZINC000879338573 614866556 /nfs/dbraw/zinc/86/65/56/614866556.db2.gz WSDXALRHXDMFKD-OLZOCXBDSA-N 2 2 286.420 0.083 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1CNC(=O)NC ZINC000879338573 614866557 /nfs/dbraw/zinc/86/65/57/614866557.db2.gz WSDXALRHXDMFKD-OLZOCXBDSA-N 2 2 286.420 0.083 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+]C(C)(C)C(=O)N1CCCC1 ZINC000846881792 614868318 /nfs/dbraw/zinc/86/83/18/614868318.db2.gz DDHPUGIHKORTSB-GFCCVEGCSA-N 2 2 271.405 0.290 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)C(=O)N1CCCC1 ZINC000846881792 614868320 /nfs/dbraw/zinc/86/83/20/614868320.db2.gz DDHPUGIHKORTSB-GFCCVEGCSA-N 2 2 271.405 0.290 20 0 CCADLP CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000971820678 614895533 /nfs/dbraw/zinc/89/55/33/614895533.db2.gz GQWVCNPUQOSKJT-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000971820678 614895536 /nfs/dbraw/zinc/89/55/36/614895536.db2.gz GQWVCNPUQOSKJT-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP CCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000939400420 614904580 /nfs/dbraw/zinc/90/45/80/614904580.db2.gz NJHFHUBCFXLNOJ-GHMZBOCLSA-N 2 2 250.346 0.799 20 0 CCADLP CC1(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)OCCO1 ZINC000817916527 614904658 /nfs/dbraw/zinc/90/46/58/614904658.db2.gz GZWGNQLQMXAWOY-NWDGAFQWSA-N 2 2 256.346 0.106 20 0 CCADLP CC1=CC[N@H+](CCNC(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000867417633 614970161 /nfs/dbraw/zinc/97/01/61/614970161.db2.gz CLWMJMHIARKWHS-NSCUHMNNSA-N 2 2 293.411 0.643 20 0 CCADLP CC1=CC[N@@H+](CCNC(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000867417633 614970165 /nfs/dbraw/zinc/97/01/65/614970165.db2.gz CLWMJMHIARKWHS-NSCUHMNNSA-N 2 2 293.411 0.643 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898490808 614990378 /nfs/dbraw/zinc/99/03/78/614990378.db2.gz UWVHDFUDRUEBSJ-LBPRGKRZSA-N 2 2 259.369 0.878 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898490808 614990379 /nfs/dbraw/zinc/99/03/79/614990379.db2.gz UWVHDFUDRUEBSJ-LBPRGKRZSA-N 2 2 259.369 0.878 20 0 CCADLP CC[NH+](CC)CCN(CCOC)C(=O)Cc1c[nH+]c[nH]1 ZINC000900587263 614993671 /nfs/dbraw/zinc/99/36/71/614993671.db2.gz LTZJQVFJPHRLTD-UHFFFAOYSA-N 2 2 282.388 0.769 20 0 CCADLP CCN(OC)C(=O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858182115 615076634 /nfs/dbraw/zinc/07/66/34/615076634.db2.gz HSVQQFVGJDTRBW-NSHDSACASA-N 2 2 257.378 0.859 20 0 CCADLP CCN(OC)C(=O)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858182115 615076636 /nfs/dbraw/zinc/07/66/36/615076636.db2.gz HSVQQFVGJDTRBW-NSHDSACASA-N 2 2 257.378 0.859 20 0 CCADLP CC[N@@H+]1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000981081781 615117152 /nfs/dbraw/zinc/11/71/52/615117152.db2.gz RGIXJXCDIWZUHY-UHFFFAOYSA-N 2 2 250.346 0.897 20 0 CCADLP CC[N@H+]1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000981081781 615117153 /nfs/dbraw/zinc/11/71/53/615117153.db2.gz RGIXJXCDIWZUHY-UHFFFAOYSA-N 2 2 250.346 0.897 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000969135252 615120303 /nfs/dbraw/zinc/12/03/03/615120303.db2.gz FIANQJRFMKHEAQ-NWDGAFQWSA-N 2 2 262.357 0.656 20 0 CCADLP CC[NH2+][C@H](C)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC000979409071 615129797 /nfs/dbraw/zinc/12/97/97/615129797.db2.gz QSYSHBHGYOSNLO-PWSUYJOCSA-N 2 2 266.345 0.178 20 0 CCADLP CC[NH2+][C@H](C)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC000979409077 615131309 /nfs/dbraw/zinc/13/13/09/615131309.db2.gz QSYSHBHGYOSNLO-ZYHUDNBSSA-N 2 2 266.345 0.178 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864609881 615132237 /nfs/dbraw/zinc/13/22/37/615132237.db2.gz HMADKDURRCNJQH-YVARQFDVSA-N 2 2 281.400 0.475 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864609881 615132238 /nfs/dbraw/zinc/13/22/38/615132238.db2.gz HMADKDURRCNJQH-YVARQFDVSA-N 2 2 281.400 0.475 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1CNC(=S)NN1CC[NH+](C)CC1 ZINC000884003612 615133099 /nfs/dbraw/zinc/13/30/99/615133099.db2.gz BTTSTSUAUNMYHT-GFCCVEGCSA-N 2 2 285.461 0.097 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CNC(=S)NN1CC[NH+](C)CC1 ZINC000884003612 615133100 /nfs/dbraw/zinc/13/31/00/615133100.db2.gz BTTSTSUAUNMYHT-GFCCVEGCSA-N 2 2 285.461 0.097 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1CNC(=S)NCc1c[nH+]cn1C ZINC000811700701 615133255 /nfs/dbraw/zinc/13/32/55/615133255.db2.gz DUWJOSVARLMRTM-LLVKDONJSA-N 2 2 281.429 0.869 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CNC(=S)NCc1c[nH+]cn1C ZINC000811700701 615133257 /nfs/dbraw/zinc/13/32/57/615133257.db2.gz DUWJOSVARLMRTM-LLVKDONJSA-N 2 2 281.429 0.869 20 0 CCADLP CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)C1C[NH+](C(C)C)C1 ZINC000957413830 615168866 /nfs/dbraw/zinc/16/88/66/615168866.db2.gz XANQLZQGMCFMML-CQSZACIVSA-N 2 2 283.416 0.648 20 0 CCADLP CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)C1C[NH+](C(C)C)C1 ZINC000957413830 615168867 /nfs/dbraw/zinc/16/88/67/615168867.db2.gz XANQLZQGMCFMML-CQSZACIVSA-N 2 2 283.416 0.648 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000947929701 615213468 /nfs/dbraw/zinc/21/34/68/615213468.db2.gz NEYSDQSYYOPDBO-NWDGAFQWSA-N 2 2 264.373 0.952 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000947929701 615213469 /nfs/dbraw/zinc/21/34/69/615213469.db2.gz NEYSDQSYYOPDBO-NWDGAFQWSA-N 2 2 264.373 0.952 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)N[C@H](C)[C@H]1C[NH+](C)CCO1 ZINC000883523713 615253772 /nfs/dbraw/zinc/25/37/72/615253772.db2.gz BPBZWHZCLBPSBO-JHJVBQTASA-N 2 2 284.404 0.099 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)N[C@H](C)[C@H]1C[NH+](C)CCO1 ZINC000883523713 615253775 /nfs/dbraw/zinc/25/37/75/615253775.db2.gz BPBZWHZCLBPSBO-JHJVBQTASA-N 2 2 284.404 0.099 20 0 CCADLP CC[NH+]1CC[C@@H]1CNC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000883523713 615253778 /nfs/dbraw/zinc/25/37/78/615253778.db2.gz BPBZWHZCLBPSBO-JHJVBQTASA-N 2 2 284.404 0.099 20 0 CCADLP CC[NH+]1CC[C@@H]1CNC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000883523713 615253780 /nfs/dbraw/zinc/25/37/80/615253780.db2.gz BPBZWHZCLBPSBO-JHJVBQTASA-N 2 2 284.404 0.099 20 0 CCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](O)c2c[nH+]c[nH]2)C[C@@H]1C ZINC000866019997 615272719 /nfs/dbraw/zinc/27/27/19/615272719.db2.gz HTCPCEXNMCYNLD-GMXVVIOVSA-N 2 2 280.372 0.774 20 0 CCADLP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](O)c2c[nH+]c[nH]2)C[C@@H]1C ZINC000866019997 615272720 /nfs/dbraw/zinc/27/27/20/615272720.db2.gz HTCPCEXNMCYNLD-GMXVVIOVSA-N 2 2 280.372 0.774 20 0 CCADLP CCOCCOC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925649506 615285039 /nfs/dbraw/zinc/28/50/39/615285039.db2.gz GJHLEYODCZCOAP-NWDGAFQWSA-N 2 2 260.378 0.131 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000890060072 615316724 /nfs/dbraw/zinc/31/67/24/615316724.db2.gz NHNCYKQWRAJRLK-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000890060072 615316726 /nfs/dbraw/zinc/31/67/26/615316726.db2.gz NHNCYKQWRAJRLK-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CCOC(=O)[C@@](C)(O)C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517561 615328776 /nfs/dbraw/zinc/32/87/76/615328776.db2.gz BLOGGYAVRNKZTC-AWEZNQCLSA-N 2 2 279.340 0.336 20 0 CCADLP CCOC(=O)[C@@](C)(O)C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517561 615328777 /nfs/dbraw/zinc/32/87/77/615328777.db2.gz BLOGGYAVRNKZTC-AWEZNQCLSA-N 2 2 279.340 0.336 20 0 CCADLP CCON(C)C(=O)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000846066322 615337589 /nfs/dbraw/zinc/33/75/89/615337589.db2.gz WKEFVZFYANNHTG-UHFFFAOYSA-N 2 2 266.345 0.647 20 0 CCADLP CC[C@@H](C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)[NH+](C)C ZINC000912391428 615380559 /nfs/dbraw/zinc/38/05/59/615380559.db2.gz OGZISVHVFKXZIP-UPJWGTAASA-N 2 2 271.405 0.552 20 0 CCADLP CC[C@@H](C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)[NH+](C)C ZINC000912391428 615380561 /nfs/dbraw/zinc/38/05/61/615380561.db2.gz OGZISVHVFKXZIP-UPJWGTAASA-N 2 2 271.405 0.552 20 0 CCADLP CC[C@@H](C(=O)N[C@@H](CO)c1c[nH+]cn1C)[NH+](CC)CC ZINC000912615733 615383651 /nfs/dbraw/zinc/38/36/51/615383651.db2.gz VBIMEEXDTBSASC-RYUDHWBXSA-N 2 2 282.388 0.690 20 0 CCADLP CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](C[C@H](O)C[NH+](C)C3CC3)C[C@@H]21 ZINC000932057612 615390703 /nfs/dbraw/zinc/39/07/03/615390703.db2.gz UFLSWGZLLZLNHQ-APIJFGDWSA-N 2 2 296.411 0.573 20 0 CCADLP CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](C[C@H](O)C[NH+](C)C3CC3)C[C@@H]21 ZINC000932057612 615390704 /nfs/dbraw/zinc/39/07/04/615390704.db2.gz UFLSWGZLLZLNHQ-APIJFGDWSA-N 2 2 296.411 0.573 20 0 CCADLP CCOC(=O)[C@@H]1[C@@H]2CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)C[C@@H]21 ZINC000932057612 615390706 /nfs/dbraw/zinc/39/07/06/615390706.db2.gz UFLSWGZLLZLNHQ-APIJFGDWSA-N 2 2 296.411 0.573 20 0 CCADLP CCOC(=O)[C@@H]1[C@@H]2CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)C[C@@H]21 ZINC000932057612 615390707 /nfs/dbraw/zinc/39/07/07/615390707.db2.gz UFLSWGZLLZLNHQ-APIJFGDWSA-N 2 2 296.411 0.573 20 0 CCADLP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)[C@H]1OC ZINC000893706583 615447607 /nfs/dbraw/zinc/44/76/07/615447607.db2.gz ILNIYAZGFUOVMJ-GFQSEFKGSA-N 2 2 265.357 0.980 20 0 CCADLP CCO[C@H](C[NH2+]Cc1cc(C(=O)OC)n(C)c1)C[NH+](C)C ZINC000922754057 615484123 /nfs/dbraw/zinc/48/41/23/615484123.db2.gz MKFGIMRTFDEYGS-CYBMUJFWSA-N 2 2 297.399 0.868 20 0 CCADLP CCO[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)C[NH+](C)C ZINC000925836727 615484346 /nfs/dbraw/zinc/48/43/46/615484346.db2.gz CJSYINCVWQCGKH-KLHDSHLOSA-N 3 2 299.459 0.700 20 0 CCADLP CC[C@@H]1C[N@H+](CCCS(=O)(=O)CCOC)CC[C@@H]1[NH3+] ZINC000843376558 615563977 /nfs/dbraw/zinc/56/39/77/615563977.db2.gz BAWSLXNYGXDLFL-OLZOCXBDSA-N 2 2 292.445 0.497 20 0 CCADLP CC[C@@H]1C[N@@H+](CCCS(=O)(=O)CCOC)CC[C@@H]1[NH3+] ZINC000843376558 615563978 /nfs/dbraw/zinc/56/39/78/615563978.db2.gz BAWSLXNYGXDLFL-OLZOCXBDSA-N 2 2 292.445 0.497 20 0 CCADLP CC[C@H](C(=O)N1CC[NH2+]CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911646999 615564842 /nfs/dbraw/zinc/56/48/42/615564842.db2.gz KQPZLUZJMJIOJJ-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP CC[C@H](C(=O)N1CC[NH2+]CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000911646999 615564843 /nfs/dbraw/zinc/56/48/43/615564843.db2.gz KQPZLUZJMJIOJJ-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000877433680 615568319 /nfs/dbraw/zinc/56/83/19/615568319.db2.gz HGIYSYFDKXGXMD-VNHYZAJKSA-N 2 2 281.400 0.213 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000877433680 615568320 /nfs/dbraw/zinc/56/83/20/615568320.db2.gz HGIYSYFDKXGXMD-VNHYZAJKSA-N 2 2 281.400 0.213 20 0 CCADLP CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000903448395 615578657 /nfs/dbraw/zinc/57/86/57/615578657.db2.gz DNIGNLFHLGOGDZ-RDBSUJKOSA-N 2 2 265.401 0.929 20 0 CCADLP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000903448395 615578658 /nfs/dbraw/zinc/57/86/58/615578658.db2.gz DNIGNLFHLGOGDZ-RDBSUJKOSA-N 2 2 265.401 0.929 20 0 CCADLP CC[C@H](C(=O)N1CC[N@H+](C)[C@H](CO)C1)[NH+](CC)CC ZINC000913548042 615601130 /nfs/dbraw/zinc/60/11/30/615601130.db2.gz BKGATIPNIODOPO-QWHCGFSZSA-N 2 2 271.405 0.242 20 0 CCADLP CC[C@H](C(=O)N1CC[N@@H+](C)[C@H](CO)C1)[NH+](CC)CC ZINC000913548042 615601131 /nfs/dbraw/zinc/60/11/31/615601131.db2.gz BKGATIPNIODOPO-QWHCGFSZSA-N 2 2 271.405 0.242 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NCC1([NH+](C)C)CC1 ZINC000922980690 615716475 /nfs/dbraw/zinc/71/64/75/615716475.db2.gz GRFOHOIQJZOBRA-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CCc1nnc([C@H](C)[NH+]2CCC(O)(C[NH+](C)C)CC2)[nH]1 ZINC000931480386 615755523 /nfs/dbraw/zinc/75/55/23/615755523.db2.gz AYPGXFGVKMBRHK-NSHDSACASA-N 2 2 281.404 0.817 20 0 CCADLP CCc1ncc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)o1 ZINC000923332903 615772636 /nfs/dbraw/zinc/77/26/36/615772636.db2.gz NMLHUWOSFBGOGD-GFCCVEGCSA-N 2 2 292.383 0.633 20 0 CCADLP CCc1ncc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)o1 ZINC000923332903 615772637 /nfs/dbraw/zinc/77/26/37/615772637.db2.gz NMLHUWOSFBGOGD-GFCCVEGCSA-N 2 2 292.383 0.633 20 0 CCADLP CN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000868283735 615847298 /nfs/dbraw/zinc/84/72/98/615847298.db2.gz GCZNVMPWKHZRQX-LMSJBEHQSA-N 2 2 278.356 0.527 20 0 CCADLP CN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000868283735 615847300 /nfs/dbraw/zinc/84/73/00/615847300.db2.gz GCZNVMPWKHZRQX-LMSJBEHQSA-N 2 2 278.356 0.527 20 0 CCADLP C[NH+](C)C1CC[NH+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)CC1 ZINC000929265131 615856260 /nfs/dbraw/zinc/85/62/60/615856260.db2.gz YDZOEGKNZMFWKD-XBFCOCLRSA-N 2 2 254.374 0.816 20 0 CCADLP CN(C(=O)[C@@H]1CC[NH+]1C(C)(C)C)[C@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000897868905 615858572 /nfs/dbraw/zinc/85/85/72/615858572.db2.gz DUKSYGDTQYRXCH-IHRRRGAJSA-N 2 2 295.427 0.791 20 0 CCADLP CN(C(=O)[C@@H]1CC[NH+]1C(C)(C)C)[C@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000897868905 615858573 /nfs/dbraw/zinc/85/85/73/615858573.db2.gz DUKSYGDTQYRXCH-IHRRRGAJSA-N 2 2 295.427 0.791 20 0 CCADLP CN(C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C)[C@H]1CC[NH+]2CCO[C@H]1C2 ZINC000897868905 615858574 /nfs/dbraw/zinc/85/85/74/615858574.db2.gz DUKSYGDTQYRXCH-IHRRRGAJSA-N 2 2 295.427 0.791 20 0 CCADLP CN(C(=O)[C@@H]1CC[N@H+]1C(C)(C)C)[C@H]1CC[NH+]2CCO[C@H]1C2 ZINC000897868905 615858575 /nfs/dbraw/zinc/85/85/75/615858575.db2.gz DUKSYGDTQYRXCH-IHRRRGAJSA-N 2 2 295.427 0.791 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)/C=C/[C@H]1CCCO1 ZINC000855417765 615878320 /nfs/dbraw/zinc/87/83/20/615878320.db2.gz OOLOUDJNVLDEGZ-HSBSLETESA-N 2 2 283.416 0.721 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)/C=C/[C@H]1CCCO1 ZINC000855417765 615878322 /nfs/dbraw/zinc/87/83/22/615878322.db2.gz OOLOUDJNVLDEGZ-HSBSLETESA-N 2 2 283.416 0.721 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876960762 615878362 /nfs/dbraw/zinc/87/83/62/615878362.db2.gz MKFPPMAADZMZGO-KIUWMYQTSA-N 3 2 296.459 0.542 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876960762 615878364 /nfs/dbraw/zinc/87/83/64/615878364.db2.gz MKFPPMAADZMZGO-KIUWMYQTSA-N 3 2 296.459 0.542 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876960764 615878390 /nfs/dbraw/zinc/87/83/90/615878390.db2.gz MKFPPMAADZMZGO-MVGZEHJDSA-N 3 2 296.459 0.542 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876960764 615878392 /nfs/dbraw/zinc/87/83/92/615878392.db2.gz MKFPPMAADZMZGO-MVGZEHJDSA-N 3 2 296.459 0.542 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNc1nccnc1F ZINC000858625578 615879955 /nfs/dbraw/zinc/87/99/55/615879955.db2.gz WJYWCZLVHLQYNH-UHFFFAOYSA-N 2 2 255.341 0.911 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNc1nccnc1F ZINC000858625578 615879958 /nfs/dbraw/zinc/87/99/58/615879958.db2.gz WJYWCZLVHLQYNH-UHFFFAOYSA-N 2 2 255.341 0.911 20 0 CCADLP C[NH+](C)CCCOC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900957087 615885111 /nfs/dbraw/zinc/88/51/11/615885111.db2.gz ZWWLZRLWDFLOOC-UHFFFAOYSA-N 2 2 294.399 0.912 20 0 CCADLP C[NH+](C)CCONC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000823255349 615908525 /nfs/dbraw/zinc/90/85/25/615908525.db2.gz UUELHJAARBTSOF-UHFFFAOYSA-N 2 2 290.323 0.801 20 0 CCADLP C[NH+](C)CC[C@](C)(O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000897439851 615914155 /nfs/dbraw/zinc/91/41/55/615914155.db2.gz IDVFAEPGVVLPLK-GYSYKLTISA-N 2 2 280.372 0.332 20 0 CCADLP C[NH+](C)CC[C@](C)(O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000897439851 615914158 /nfs/dbraw/zinc/91/41/58/615914158.db2.gz IDVFAEPGVVLPLK-GYSYKLTISA-N 2 2 280.372 0.332 20 0 CCADLP CC[C@H](C(=O)N1CC[NH2+]CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000911647001 615917851 /nfs/dbraw/zinc/91/78/51/615917851.db2.gz KQPZLUZJMJIOJJ-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP CC[C@H](C(=O)N1CC[NH2+]CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000911647001 615917852 /nfs/dbraw/zinc/91/78/52/615917852.db2.gz KQPZLUZJMJIOJJ-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000877433276 615927335 /nfs/dbraw/zinc/92/73/35/615927335.db2.gz NUHUFHMUNHMIHG-OLZOCXBDSA-N 2 2 269.389 0.213 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000877433276 615927337 /nfs/dbraw/zinc/92/73/37/615927337.db2.gz NUHUFHMUNHMIHG-OLZOCXBDSA-N 2 2 269.389 0.213 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000874706148 615927773 /nfs/dbraw/zinc/92/77/73/615927773.db2.gz LXVUYEGYWKYTPJ-KKUMJFAQSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000874706148 615927776 /nfs/dbraw/zinc/92/77/76/615927776.db2.gz LXVUYEGYWKYTPJ-KKUMJFAQSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@H]1COCC[NH+]1CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000874706148 615927778 /nfs/dbraw/zinc/92/77/78/615927778.db2.gz LXVUYEGYWKYTPJ-KKUMJFAQSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@H]1COCC[NH+]1CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000874706148 615927781 /nfs/dbraw/zinc/92/77/81/615927781.db2.gz LXVUYEGYWKYTPJ-KKUMJFAQSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(C[NH3+])cc1 ZINC000877433418 615928756 /nfs/dbraw/zinc/92/87/56/615928756.db2.gz RORAYBZLHWSVJG-HNNXBMFYSA-N 2 2 291.395 0.986 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(C[NH3+])cc1 ZINC000877433418 615928760 /nfs/dbraw/zinc/92/87/60/615928760.db2.gz RORAYBZLHWSVJG-HNNXBMFYSA-N 2 2 291.395 0.986 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000825854896 615936140 /nfs/dbraw/zinc/93/61/40/615936140.db2.gz DQPZNKKWAYSEHZ-AWEZNQCLSA-N 2 2 290.371 0.269 20 0 CCADLP Cn1nc2c(c1C[NH2+]C[C@@](C)(O)C[NH+](C)C)CSCC2 ZINC000883075246 615951475 /nfs/dbraw/zinc/95/14/75/615951475.db2.gz WBPBFZAXVCDVDI-CQSZACIVSA-N 2 2 298.456 0.612 20 0 CCADLP C[NH+](C)Cc1cnc(CN2CC([N@@H+]3CC[C@@H](O)C3)C2)s1 ZINC000843423730 615957101 /nfs/dbraw/zinc/95/71/01/615957101.db2.gz JBUOSBYNDGQIAJ-GFCCVEGCSA-N 2 2 296.440 0.456 20 0 CCADLP C[NH+](C)Cc1cnc(CN2CC([N@H+]3CC[C@@H](O)C3)C2)s1 ZINC000843423730 615957104 /nfs/dbraw/zinc/95/71/04/615957104.db2.gz JBUOSBYNDGQIAJ-GFCCVEGCSA-N 2 2 296.440 0.456 20 0 CCADLP CC[C@](C)(O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000931216493 615957627 /nfs/dbraw/zinc/95/76/27/615957627.db2.gz HXUKLZWIVGMSEX-INIZCTEOSA-N 2 2 297.443 0.822 20 0 CCADLP C[NH+](C)[C@@H]1C[C@@H](NC(=O)/C=C\C[NH+]2CCOCC2)C1(C)C ZINC000824095437 615982935 /nfs/dbraw/zinc/98/29/35/615982935.db2.gz RUQUEMAMHAWTOF-HLMASZERSA-N 2 2 295.427 0.720 20 0 CCADLP C[NH+](C)[C@@H]1C[C@H](NC(=O)/C=C/C[NH+]2CCOCC2)C1(C)C ZINC000824095307 615985626 /nfs/dbraw/zinc/98/56/26/615985626.db2.gz RUQUEMAMHAWTOF-BUHQSOCUSA-N 2 2 295.427 0.720 20 0 CCADLP C[NH+](C)[C@H](C(=O)N1CCC[N@H+](CCF)CC1)C1CC1 ZINC000981332842 615987531 /nfs/dbraw/zinc/98/75/31/615987531.db2.gz GRCQRDKHEFFNGR-ZDUSSCGKSA-N 2 2 271.380 0.830 20 0 CCADLP C[NH+](C)[C@H](C(=O)N1CCC[N@@H+](CCF)CC1)C1CC1 ZINC000981332842 615987533 /nfs/dbraw/zinc/98/75/33/615987533.db2.gz GRCQRDKHEFFNGR-ZDUSSCGKSA-N 2 2 271.380 0.830 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCC(=O)Nc3cccnc3)C[C@H]21 ZINC000931279135 615997229 /nfs/dbraw/zinc/99/72/29/615997229.db2.gz ZCSMVLSZNAQSPC-NHAGDIPZSA-N 2 2 274.368 0.902 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCC(=O)Nc3cccnc3)C[C@H]21 ZINC000931279135 615997232 /nfs/dbraw/zinc/99/72/32/615997232.db2.gz ZCSMVLSZNAQSPC-NHAGDIPZSA-N 2 2 274.368 0.902 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](Cc3ccc(C(N)=O)cc3)C[C@H]21 ZINC000931282108 615998016 /nfs/dbraw/zinc/99/80/16/615998016.db2.gz IKWWMBJCKOTUHU-WDNDVIMCSA-N 2 2 259.353 0.777 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](Cc3ccc(C(N)=O)cc3)C[C@H]21 ZINC000931282108 615998018 /nfs/dbraw/zinc/99/80/18/615998018.db2.gz IKWWMBJCKOTUHU-WDNDVIMCSA-N 2 2 259.353 0.777 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H](O)CC3(O)CCC3)C[C@H]21 ZINC000931281624 615998543 /nfs/dbraw/zinc/99/85/43/615998543.db2.gz UVFRGPPKDXVTTC-NDBYEHHHSA-N 2 2 254.374 0.144 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H](O)CC3(O)CCC3)C[C@H]21 ZINC000931281624 615998545 /nfs/dbraw/zinc/99/85/45/615998545.db2.gz UVFRGPPKDXVTTC-NDBYEHHHSA-N 2 2 254.374 0.144 20 0 CCADLP C[NH+](C)[C@]1(C[NH2+][C@@H]2CCO[C@]23CCOC3)CCSC1 ZINC000903104952 615999424 /nfs/dbraw/zinc/99/94/24/615999424.db2.gz NFTGJLOORBXBPS-RDBSUJKOSA-N 2 2 286.441 0.961 20 0 CCADLP CN(C)c1cc(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)cc[nH+]1 ZINC000896838671 616008574 /nfs/dbraw/zinc/00/85/74/616008574.db2.gz RYLIIPXONUIZRD-CYBMUJFWSA-N 2 2 290.367 0.807 20 0 CCADLP CN(C)c1cc(NCC[N@H+]2CC[C@@H](O)C2)nc[nH+]1 ZINC000894780238 616009834 /nfs/dbraw/zinc/00/98/34/616009834.db2.gz AWZUSIZHJRFOCX-SNVBAGLBSA-N 2 2 251.334 0.021 20 0 CCADLP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1C[C@H](S(C)(=O)=O)C1 ZINC000883380117 616030423 /nfs/dbraw/zinc/03/04/23/616030423.db2.gz ZUDZSZCEXCACAJ-HAQNSBGRSA-N 2 2 283.397 0.813 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925410562 616076449 /nfs/dbraw/zinc/07/64/49/616076449.db2.gz SSNHDYIUGABPBQ-GFCCVEGCSA-N 2 2 265.361 0.619 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)NC[C@H]1CC[N@H+]1C ZINC000925410562 616076450 /nfs/dbraw/zinc/07/64/50/616076450.db2.gz SSNHDYIUGABPBQ-GFCCVEGCSA-N 2 2 265.361 0.619 20 0 CCADLP C[N@H+](Cc1ccnc(N)c1)C1(C[NH3+])CCOCC1 ZINC000903810079 616084633 /nfs/dbraw/zinc/08/46/33/616084633.db2.gz VGIJRUQNBNAURW-UHFFFAOYSA-N 2 2 250.346 0.604 20 0 CCADLP C[N@@H+](Cc1ccnc(N)c1)C1(C[NH3+])CCOCC1 ZINC000903810079 616084634 /nfs/dbraw/zinc/08/46/34/616084634.db2.gz VGIJRUQNBNAURW-UHFFFAOYSA-N 2 2 250.346 0.604 20 0 CCADLP C[N@H+](CCO)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000972729360 616109391 /nfs/dbraw/zinc/10/93/91/616109391.db2.gz NQDITSGIGSMWME-LLVKDONJSA-N 2 2 280.372 0.212 20 0 CCADLP C[N@@H+](CCO)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000972729360 616109393 /nfs/dbraw/zinc/10/93/93/616109393.db2.gz NQDITSGIGSMWME-LLVKDONJSA-N 2 2 280.372 0.212 20 0 CCADLP C[N@H+](C[C@@H]1CCOC1)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980539684 616144709 /nfs/dbraw/zinc/14/47/09/616144709.db2.gz UGTXTWGSEFDRGH-UONOGXRCSA-N 2 2 292.383 0.452 20 0 CCADLP C[N@@H+](C[C@@H]1CCOC1)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980539684 616144710 /nfs/dbraw/zinc/14/47/10/616144710.db2.gz UGTXTWGSEFDRGH-UONOGXRCSA-N 2 2 292.383 0.452 20 0 CCADLP C[NH+]1CCC(C[N@H+](CCS(C)(=O)=O)C2CC2)CC1 ZINC000892159987 616169128 /nfs/dbraw/zinc/16/91/28/616169128.db2.gz RXCXZMXKLYTOBX-UHFFFAOYSA-N 2 2 274.430 0.837 20 0 CCADLP C[NH+]1CCC(C[N@@H+](CCS(C)(=O)=O)C2CC2)CC1 ZINC000892159987 616169129 /nfs/dbraw/zinc/16/91/29/616169129.db2.gz RXCXZMXKLYTOBX-UHFFFAOYSA-N 2 2 274.430 0.837 20 0 CCADLP C[NH+]1CCC(N(CCO)C(=O)CCCn2cc[nH+]c2)CC1 ZINC000911936378 616171347 /nfs/dbraw/zinc/17/13/47/616171347.db2.gz HMDFVOPWQGMWME-UHFFFAOYSA-N 2 2 294.399 0.578 20 0 CCADLP CN(C(=O)CC1COC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900671575 616172311 /nfs/dbraw/zinc/17/23/11/616172311.db2.gz ZOCZXWPCENEZNR-HNNXBMFYSA-N 2 2 295.427 0.650 20 0 CCADLP CN(C(=O)CC1COC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900671575 616172313 /nfs/dbraw/zinc/17/23/13/616172313.db2.gz ZOCZXWPCENEZNR-HNNXBMFYSA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+]1CCC(NC(=O)C[NH+]2CCC(F)(F)CC2)CC1 ZINC000878542727 616173165 /nfs/dbraw/zinc/17/31/65/616173165.db2.gz PBUZEIVBLOBPQC-UHFFFAOYSA-N 2 2 275.343 0.928 20 0 CCADLP C[NH+]1CCC(OCC(=O)OCCCn2cc[nH+]c2)CC1 ZINC000923789091 616175726 /nfs/dbraw/zinc/17/57/26/616175726.db2.gz PJUCGCCCJWHPPB-UHFFFAOYSA-N 2 2 281.356 0.927 20 0 CCADLP C[NH+]1CCC2(CC1)NC(=O)N(C[NH+](C1CC1)C1CC1)C2=O ZINC000863304199 616177244 /nfs/dbraw/zinc/17/72/44/616177244.db2.gz RTBNTODQGYBDJJ-UHFFFAOYSA-N 2 2 292.383 0.587 20 0 CCADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N2CCC[NH+](C)CC2)n[nH]1 ZINC000899936081 616185645 /nfs/dbraw/zinc/18/56/45/616185645.db2.gz PLAUFWHCFGYFOG-CQSZACIVSA-N 2 2 291.399 0.954 20 0 CCADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N2CCC[NH+](C)CC2)n[nH]1 ZINC000899936081 616185646 /nfs/dbraw/zinc/18/56/46/616185646.db2.gz PLAUFWHCFGYFOG-CQSZACIVSA-N 2 2 291.399 0.954 20 0 CCADLP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2CCC[N@H+](C)CC2)n[nH]1 ZINC000899936081 616185647 /nfs/dbraw/zinc/18/56/47/616185647.db2.gz PLAUFWHCFGYFOG-CQSZACIVSA-N 2 2 291.399 0.954 20 0 CCADLP C[NH+]1CCC[C@@H]1c1cc(C(=O)N2CCC[N@@H+](C)CC2)n[nH]1 ZINC000899936081 616185648 /nfs/dbraw/zinc/18/56/48/616185648.db2.gz PLAUFWHCFGYFOG-CQSZACIVSA-N 2 2 291.399 0.954 20 0 CCADLP C[N@@H+]1CCC[C@@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000854913207 616187285 /nfs/dbraw/zinc/18/72/85/616187285.db2.gz MDMVRDVDFNENSL-NSHDSACASA-N 2 2 250.346 0.800 20 0 CCADLP C[N@H+]1CCC[C@@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000854913207 616187286 /nfs/dbraw/zinc/18/72/86/616187286.db2.gz MDMVRDVDFNENSL-NSHDSACASA-N 2 2 250.346 0.800 20 0 CCADLP C[N@@H+]1CCC[C@H](CNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000865609566 616204972 /nfs/dbraw/zinc/20/49/72/616204972.db2.gz XVILYWMWCYPKDX-LYKUJDHUSA-N 2 2 281.400 0.333 20 0 CCADLP C[N@H+]1CCC[C@H](CNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000865609566 616204973 /nfs/dbraw/zinc/20/49/73/616204973.db2.gz XVILYWMWCYPKDX-LYKUJDHUSA-N 2 2 281.400 0.333 20 0 CCADLP C[N@@H+]1CCC[C@](O)(CC(=O)NCCCn2cc[nH+]c2)C1 ZINC000899920836 616218269 /nfs/dbraw/zinc/21/82/69/616218269.db2.gz LZOPOXOHCSBYHR-AWEZNQCLSA-N 2 2 280.372 0.236 20 0 CCADLP C[N@H+]1CCC[C@](O)(CC(=O)NCCCn2cc[nH+]c2)C1 ZINC000899920836 616218270 /nfs/dbraw/zinc/21/82/70/616218270.db2.gz LZOPOXOHCSBYHR-AWEZNQCLSA-N 2 2 280.372 0.236 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCn3cccc3C2)CC1 ZINC000932524942 616221802 /nfs/dbraw/zinc/22/18/02/616221802.db2.gz CCTYAISZVMFZDR-UHFFFAOYSA-N 2 2 276.384 0.468 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCn3cccc3C2)CC1 ZINC000932524942 616221803 /nfs/dbraw/zinc/22/18/03/616221803.db2.gz CCTYAISZVMFZDR-UHFFFAOYSA-N 2 2 276.384 0.468 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[NH2+]CCC23CCC3)CC1 ZINC000883459269 616222163 /nfs/dbraw/zinc/22/21/63/616222163.db2.gz QKSMSSAXKTYXPN-UHFFFAOYSA-N 3 2 294.443 0.369 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[NH2+]CCC23CCC3)CC1 ZINC000883459269 616222164 /nfs/dbraw/zinc/22/21/64/616222164.db2.gz QKSMSSAXKTYXPN-UHFFFAOYSA-N 3 2 294.443 0.369 20 0 CCADLP CN1CCN(C(=O)CC[N@@H+]2CC[NH2+]CCC23CCC3)CC1 ZINC000883459269 616222165 /nfs/dbraw/zinc/22/21/65/616222165.db2.gz QKSMSSAXKTYXPN-UHFFFAOYSA-N 2 2 294.443 0.369 20 0 CCADLP CN1CCN(C(=O)CC[N@H+]2CC[NH2+]CCC23CCC3)CC1 ZINC000883459269 616222166 /nfs/dbraw/zinc/22/21/66/616222166.db2.gz QKSMSSAXKTYXPN-UHFFFAOYSA-N 2 2 294.443 0.369 20 0 CCADLP C[N@H+](CCCCCCO)CC(=O)N1CC[NH+](C)CC1 ZINC000879353939 616223119 /nfs/dbraw/zinc/22/31/19/616223119.db2.gz BCORCEGJPATQRF-UHFFFAOYSA-N 2 2 271.405 0.245 20 0 CCADLP C[N@@H+](CCCCCCO)CC(=O)N1CC[NH+](C)CC1 ZINC000879353939 616223120 /nfs/dbraw/zinc/22/31/20/616223120.db2.gz BCORCEGJPATQRF-UHFFFAOYSA-N 2 2 271.405 0.245 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cc(O)cc(Cl)c2)CC1 ZINC000892715046 616223461 /nfs/dbraw/zinc/22/34/61/616223461.db2.gz VIVRLRVYDFMNHT-UHFFFAOYSA-N 2 2 297.786 0.909 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCC23CCOCC3)CC1 ZINC000800473875 616223637 /nfs/dbraw/zinc/22/36/37/616223637.db2.gz CLKIMTKAOSNVNX-ZDUSSCGKSA-N 2 2 281.400 0.309 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)[C@H](CO)C1 ZINC000912734928 616227220 /nfs/dbraw/zinc/22/72/20/616227220.db2.gz RSFSLSAFHQYWAQ-RDBSUJKOSA-N 2 2 281.400 0.138 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)[C@H](CO)C1 ZINC000912734928 616227221 /nfs/dbraw/zinc/22/72/21/616227221.db2.gz RSFSLSAFHQYWAQ-RDBSUJKOSA-N 2 2 281.400 0.138 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)[C@H](CO)C1 ZINC000912734928 616227222 /nfs/dbraw/zinc/22/72/22/616227222.db2.gz RSFSLSAFHQYWAQ-RDBSUJKOSA-N 2 2 281.400 0.138 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)[C@H](CO)C1 ZINC000912734928 616227223 /nfs/dbraw/zinc/22/72/23/616227223.db2.gz RSFSLSAFHQYWAQ-RDBSUJKOSA-N 2 2 281.400 0.138 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)C[C@H]1CO ZINC000913540153 616227372 /nfs/dbraw/zinc/22/73/72/616227372.db2.gz PHBTUOXFRJHDSJ-IHRRRGAJSA-N 2 2 281.400 0.138 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)C[C@H]1CO ZINC000913540153 616227373 /nfs/dbraw/zinc/22/73/73/616227373.db2.gz PHBTUOXFRJHDSJ-IHRRRGAJSA-N 2 2 281.400 0.138 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C[C@H]1CO ZINC000913540153 616227374 /nfs/dbraw/zinc/22/73/74/616227374.db2.gz PHBTUOXFRJHDSJ-IHRRRGAJSA-N 2 2 281.400 0.138 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C[C@H]1CO ZINC000913540153 616227375 /nfs/dbraw/zinc/22/73/75/616227375.db2.gz PHBTUOXFRJHDSJ-IHRRRGAJSA-N 2 2 281.400 0.138 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CC2CC2)C1 ZINC000959939316 616257691 /nfs/dbraw/zinc/25/76/91/616257691.db2.gz VJRQHOKUWSWQHM-GJZGRUSLSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CC2CC2)C1 ZINC000959939316 616257692 /nfs/dbraw/zinc/25/76/92/616257692.db2.gz VJRQHOKUWSWQHM-GJZGRUSLSA-N 2 2 295.427 0.698 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827277316 616317184 /nfs/dbraw/zinc/31/71/84/616317184.db2.gz JULQHEDVWWIOPA-YPMHNXCESA-N 2 2 262.357 0.515 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000827277316 616317188 /nfs/dbraw/zinc/31/71/88/616317188.db2.gz JULQHEDVWWIOPA-YPMHNXCESA-N 2 2 262.357 0.515 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@@H]2C1 ZINC000812320009 616326749 /nfs/dbraw/zinc/32/67/49/616326749.db2.gz ABFBRCJXNMTHQE-RDBSUJKOSA-N 2 2 288.395 0.856 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@@H]2C1 ZINC000812320009 616326756 /nfs/dbraw/zinc/32/67/56/616326756.db2.gz ABFBRCJXNMTHQE-RDBSUJKOSA-N 2 2 288.395 0.856 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@@H]2C1 ZINC000812320547 616326865 /nfs/dbraw/zinc/32/68/65/616326865.db2.gz GLILDODCPLGYHY-MJBXVCDLSA-N 2 2 288.395 0.856 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@@H]2C1 ZINC000812320547 616326869 /nfs/dbraw/zinc/32/68/69/616326869.db2.gz GLILDODCPLGYHY-MJBXVCDLSA-N 2 2 288.395 0.856 20 0 CCADLP C[N@@H+]1CC[C@@H]2C[NH+](CCN3C(=O)NC(C)(C)C3=O)CC[C@H]21 ZINC000879572255 616334417 /nfs/dbraw/zinc/33/44/17/616334417.db2.gz WZGILIAZCHTGDR-VXGBXAGGSA-N 2 2 294.399 0.343 20 0 CCADLP C[N@H+]1CC[C@@H]2C[NH+](CCN3C(=O)NC(C)(C)C3=O)CC[C@H]21 ZINC000879572255 616334423 /nfs/dbraw/zinc/33/44/23/616334423.db2.gz WZGILIAZCHTGDR-VXGBXAGGSA-N 2 2 294.399 0.343 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@H+](CCN3C(=O)NC(C)(C)C3=O)CC[C@H]21 ZINC000879572255 616334427 /nfs/dbraw/zinc/33/44/27/616334427.db2.gz WZGILIAZCHTGDR-VXGBXAGGSA-N 2 2 294.399 0.343 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@@H+](CCN3C(=O)NC(C)(C)C3=O)CC[C@H]21 ZINC000879572255 616334433 /nfs/dbraw/zinc/33/44/33/616334433.db2.gz WZGILIAZCHTGDR-VXGBXAGGSA-N 2 2 294.399 0.343 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1[C@@H]2CC[C@H]1C[N@@H+](C)C2 ZINC000913534944 616364938 /nfs/dbraw/zinc/36/49/38/616364938.db2.gz QHOONIIPBGZEDL-BETUJISGSA-N 2 2 262.357 0.658 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)C2 ZINC000913534944 616364941 /nfs/dbraw/zinc/36/49/41/616364941.db2.gz QHOONIIPBGZEDL-BETUJISGSA-N 2 2 262.357 0.658 20 0 CCADLP COCC[NH+]1CCN(c2nccn3c[nH+]cc23)CC1 ZINC000891624615 616376030 /nfs/dbraw/zinc/37/60/30/616376030.db2.gz CSDVWMMXESJBQZ-UHFFFAOYSA-N 2 2 261.329 0.498 20 0 CCADLP C[N@@H+]1C[C@@H]2CN(S(=O)(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC000907564708 616384909 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COCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC000944444872 616415131 /nfs/dbraw/zinc/41/51/31/616415131.db2.gz LZZXMQRPSLOGDC-YPMHNXCESA-N 2 2 294.399 0.734 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC000944444872 616415134 /nfs/dbraw/zinc/41/51/34/616415134.db2.gz LZZXMQRPSLOGDC-YPMHNXCESA-N 2 2 294.399 0.734 20 0 CCADLP C[N@@H+]1CC[C@H]1CNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000925402614 616424359 /nfs/dbraw/zinc/42/43/59/616424359.db2.gz AZIBTMKXHNUVMF-STQMWFEESA-N 2 2 277.372 0.934 20 0 CCADLP C[N@H+]1CC[C@H]1CNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000925402614 616424362 /nfs/dbraw/zinc/42/43/62/616424362.db2.gz AZIBTMKXHNUVMF-STQMWFEESA-N 2 2 277.372 0.934 20 0 CCADLP COC1(OC)CC[N@H+](CCn2cc[nH+]c2C)C[C@@H]1O ZINC000931634830 616469626 /nfs/dbraw/zinc/46/96/26/616469626.db2.gz PHIUVXNKASLOBH-LBPRGKRZSA-N 2 2 269.345 0.247 20 0 CCADLP COC1(OC)CC[N@@H+](CCn2cc[nH+]c2C)C[C@@H]1O ZINC000931634830 616469629 /nfs/dbraw/zinc/46/96/29/616469629.db2.gz PHIUVXNKASLOBH-LBPRGKRZSA-N 2 2 269.345 0.247 20 0 CCADLP COC1(OC)CC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000924757745 616482553 /nfs/dbraw/zinc/48/25/53/616482553.db2.gz QQYJZGNSWCPGNW-OLZOCXBDSA-N 2 2 272.389 0.574 20 0 CCADLP COC(=O)CC1(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)CC1 ZINC000931277442 616502738 /nfs/dbraw/zinc/50/27/38/616502738.db2.gz KSULEGPZPPQDTG-PJXYFTJBSA-N 2 2 252.358 0.822 20 0 CCADLP COC(=O)CC1(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)CC1 ZINC000931277442 616502742 /nfs/dbraw/zinc/50/27/42/616502742.db2.gz KSULEGPZPPQDTG-PJXYFTJBSA-N 2 2 252.358 0.822 20 0 CCADLP COC(=O)[C@@H]1[C@H](C[NH2+][C@@H](C)Cn2cc[nH+]c2)C1(F)F ZINC000894173171 616515960 /nfs/dbraw/zinc/51/59/60/616515960.db2.gz HQJBXQVLJXVZCZ-GUBZILKMSA-N 2 2 273.283 0.916 20 0 CCADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N(CC[NH3+])CCO ZINC000892616048 616518461 /nfs/dbraw/zinc/51/84/61/616518461.db2.gz SQVDABGFMHFJNC-CQSZACIVSA-N 2 2 292.383 0.136 20 0 CCADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N(CC[NH3+])CCO ZINC000892616048 616518465 /nfs/dbraw/zinc/51/84/65/616518465.db2.gz SQVDABGFMHFJNC-CQSZACIVSA-N 2 2 292.383 0.136 20 0 CCADLP COCCS(=O)(=O)CCC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000843364507 616605235 /nfs/dbraw/zinc/60/52/35/616605235.db2.gz KTDFOSCENIGNFV-VXGBXAGGSA-N 2 2 278.418 0.107 20 0 CCADLP COCCS(=O)(=O)CCC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000843364507 616605238 /nfs/dbraw/zinc/60/52/38/616605238.db2.gz KTDFOSCENIGNFV-VXGBXAGGSA-N 2 2 278.418 0.107 20 0 CCADLP COCC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000884210620 616631430 /nfs/dbraw/zinc/63/14/30/616631430.db2.gz FWOGCXUDZWJZGD-ZIAGYGMSSA-N 2 2 299.415 0.064 20 0 CCADLP COCC[C@@H]([NH3+])C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000884223471 616636958 /nfs/dbraw/zinc/63/69/58/616636958.db2.gz QUBWZDSSMIKJCG-LLVKDONJSA-N 2 2 262.313 0.314 20 0 CCADLP CNC(=O)NC(=O)CC[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931722816 616695592 /nfs/dbraw/zinc/69/55/92/616695592.db2.gz 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ZINC000854227843 616795109 /nfs/dbraw/zinc/79/51/09/616795109.db2.gz RNWPFARUSNGYGK-NWDGAFQWSA-N 2 2 271.361 0.041 20 0 CCADLP COC[C@@H](C)[NH+]1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000957514764 616805758 /nfs/dbraw/zinc/80/57/58/616805758.db2.gz SVNNODUITHHIGQ-CYBMUJFWSA-N 2 2 294.399 0.532 20 0 CCADLP COC[C@@H](C)N1CC[NH2+]CC[N@@H+]([C@H](C)COC)CC1 ZINC000923394588 616809456 /nfs/dbraw/zinc/80/94/56/616809456.db2.gz GXWODEQBTKJGDM-ZIAGYGMSSA-N 2 2 273.421 0.263 20 0 CCADLP COC[C@@H](C)N1CC[NH2+]CC[N@H+]([C@H](C)COC)CC1 ZINC000923394588 616809459 /nfs/dbraw/zinc/80/94/59/616809459.db2.gz GXWODEQBTKJGDM-ZIAGYGMSSA-N 2 2 273.421 0.263 20 0 CCADLP COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H]2C[NH2+]CCOC2)C1 ZINC000925645061 616840368 /nfs/dbraw/zinc/84/03/68/616840368.db2.gz OYWTUCXSPSPWDX-AVGNSLFASA-N 2 2 285.388 0.431 20 0 CCADLP COC(=O)NC1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000852764430 616859729 /nfs/dbraw/zinc/85/97/29/616859729.db2.gz GEYGTPOBCMQSRA-CYBMUJFWSA-N 2 2 287.404 0.508 20 0 CCADLP COC(=O)NC1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000852764430 616859731 /nfs/dbraw/zinc/85/97/31/616859731.db2.gz GEYGTPOBCMQSRA-CYBMUJFWSA-N 2 2 287.404 0.508 20 0 CCADLP CO[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932620624 616888444 /nfs/dbraw/zinc/88/84/44/616888444.db2.gz ABBDCWXCJQIPOQ-IACUBPJLSA-N 2 2 281.400 0.306 20 0 CCADLP CO[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932620624 616888446 /nfs/dbraw/zinc/88/84/46/616888446.db2.gz ABBDCWXCJQIPOQ-IACUBPJLSA-N 2 2 281.400 0.306 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)n1C ZINC000873095362 616905154 /nfs/dbraw/zinc/90/51/54/616905154.db2.gz VIKMQBJKBFNKHE-AWEZNQCLSA-N 2 2 283.372 0.214 20 0 CCADLP COC(=O)N[C@H]1CC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000886852315 616929715 /nfs/dbraw/zinc/92/97/15/616929715.db2.gz FWUBLGMLRJQZHW-NSHDSACASA-N 2 2 252.318 0.622 20 0 CCADLP COC(=O)N[C@H]1CC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000886852315 616929717 /nfs/dbraw/zinc/92/97/17/616929717.db2.gz FWUBLGMLRJQZHW-NSHDSACASA-N 2 2 252.318 0.622 20 0 CCADLP COCC[N@H+](C)CCC[NH2+][C@H]1CCC1(OC)OC ZINC000924653496 616955736 /nfs/dbraw/zinc/95/57/36/616955736.db2.gz KRJCHTWJHMDYFK-LBPRGKRZSA-N 2 2 260.378 0.696 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+][C@H]1CCC1(OC)OC ZINC000924653496 616955742 /nfs/dbraw/zinc/95/57/42/616955742.db2.gz KRJCHTWJHMDYFK-LBPRGKRZSA-N 2 2 260.378 0.696 20 0 CCADLP C[NH2+]CC[N@H+](C[C@H](O)COC[C@H]1CCCO1)C(C)C ZINC000923432637 616958223 /nfs/dbraw/zinc/95/82/23/616958223.db2.gz GZZMKMHUDLTODK-UONOGXRCSA-N 2 2 274.405 0.473 20 0 CCADLP C[NH2+]CC[N@@H+](C[C@H](O)COC[C@H]1CCCO1)C(C)C ZINC000923432637 616958226 /nfs/dbraw/zinc/95/82/26/616958226.db2.gz GZZMKMHUDLTODK-UONOGXRCSA-N 2 2 274.405 0.473 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ccccn2)C1 ZINC000846889056 616967425 /nfs/dbraw/zinc/96/74/25/616967425.db2.gz MJJNLYBGLIMLGX-CABCVRRESA-N 2 2 293.411 0.810 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ccccn2)C1 ZINC000846889056 616967429 /nfs/dbraw/zinc/96/74/29/616967429.db2.gz MJJNLYBGLIMLGX-CABCVRRESA-N 2 2 293.411 0.810 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000846889056 616967431 /nfs/dbraw/zinc/96/74/31/616967431.db2.gz MJJNLYBGLIMLGX-CABCVRRESA-N 2 2 293.411 0.810 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000846889056 616967433 /nfs/dbraw/zinc/96/74/33/616967433.db2.gz MJJNLYBGLIMLGX-CABCVRRESA-N 2 2 293.411 0.810 20 0 CCADLP C[NH2+]C[C@@H](O)C[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000843080428 616978134 /nfs/dbraw/zinc/97/81/34/616978134.db2.gz IMNDOEXDPCOVDB-KCJUWKMLSA-N 2 2 260.284 0.168 20 0 CCADLP C[NH2+]C[C@@H]1CCCC[N@@H+]1CCC(=O)N(C)CC(=O)OC ZINC000903529142 616979730 /nfs/dbraw/zinc/97/97/30/616979730.db2.gz LFDRKFZXIJDQMP-LBPRGKRZSA-N 2 2 285.388 0.082 20 0 CCADLP C[NH2+]C[C@@H]1CCCC[N@H+]1CCC(=O)N(C)CC(=O)OC ZINC000903529142 616979736 /nfs/dbraw/zinc/97/97/36/616979736.db2.gz LFDRKFZXIJDQMP-LBPRGKRZSA-N 2 2 285.388 0.082 20 0 CCADLP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000911634342 616980884 /nfs/dbraw/zinc/98/08/84/616980884.db2.gz MYEMVAAKYBLADV-QWHCGFSZSA-N 2 2 276.384 0.904 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000851680104 616990414 /nfs/dbraw/zinc/99/04/14/616990414.db2.gz GIBAMVZKIGHQQS-NWDGAFQWSA-N 2 2 279.388 0.917 20 0 CCADLP C[NH2+]C[C@H]1CCCCN1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000891350806 616994904 /nfs/dbraw/zinc/99/49/04/616994904.db2.gz VLIHTZGPNHBGPL-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@](OC)(C(F)(F)F)C1 ZINC000883447550 617002191 /nfs/dbraw/zinc/00/21/91/617002191.db2.gz FPJYRUVVWFBFKN-VHSXEESVSA-N 2 2 270.295 0.610 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@](OC)(C(F)(F)F)C1 ZINC000883447550 617002198 /nfs/dbraw/zinc/00/21/98/617002198.db2.gz FPJYRUVVWFBFKN-VHSXEESVSA-N 2 2 270.295 0.610 20 0 CCADLP COC(=O)[C@@H]([NH2+]CCCNC(=O)[C@@H](C)[NH+](C)C)C(C)C ZINC000880164850 617019599 /nfs/dbraw/zinc/01/95/99/617019599.db2.gz IKKYSFJFBUMCOT-NEPJUHHUSA-N 2 2 287.404 0.230 20 0 CCADLP COC(=O)[C@@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC000897875314 617020054 /nfs/dbraw/zinc/02/00/54/617020054.db2.gz CLHRUYCFCJXHLJ-OLZOCXBDSA-N 2 2 299.415 0.374 20 0 CCADLP COC(=O)[C@@H]([NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C)C(C)C ZINC000897875314 617020056 /nfs/dbraw/zinc/02/00/56/617020056.db2.gz CLHRUYCFCJXHLJ-OLZOCXBDSA-N 2 2 299.415 0.374 20 0 CCADLP CNc1cc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)nc[nH+]1 ZINC000897219410 617059941 /nfs/dbraw/zinc/05/99/41/617059941.db2.gz KPBDDJPSHKIKAV-NEPJUHHUSA-N 2 2 277.372 0.554 20 0 CCADLP CNc1cc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)nc[nH+]1 ZINC000897219410 617059944 /nfs/dbraw/zinc/05/99/44/617059944.db2.gz KPBDDJPSHKIKAV-NEPJUHHUSA-N 2 2 277.372 0.554 20 0 CCADLP CO[C@H](C)C[NH+]1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000949554808 617064861 /nfs/dbraw/zinc/06/48/61/617064861.db2.gz TXPCHFRVSWMSRW-CYBMUJFWSA-N 2 2 280.372 0.452 20 0 CCADLP CON1CC[C@H]([N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C1=O ZINC000903452165 617099541 /nfs/dbraw/zinc/09/95/41/617099541.db2.gz IBTKUVOZCFTKCU-AAEUAGOBSA-N 2 2 253.346 0.224 20 0 CCADLP CON1CC[C@H]([N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C1=O ZINC000903452165 617099543 /nfs/dbraw/zinc/09/95/43/617099543.db2.gz IBTKUVOZCFTKCU-AAEUAGOBSA-N 2 2 253.346 0.224 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000906094629 617148017 /nfs/dbraw/zinc/14/80/17/617148017.db2.gz OXCZEEBYNMQECL-NKWVEPMBSA-N 2 2 291.277 0.783 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1[C@H]2C[N@H+](C/C=C\Cl)C[C@H]21 ZINC001025898889 625300767 /nfs/dbraw/zinc/30/07/67/625300767.db2.gz MHHKFHVEDBNOHJ-QGCOPXGNSA-N 2 2 294.786 0.990 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1[C@H]2C[N@@H+](C/C=C\Cl)C[C@H]21 ZINC001025898889 625300770 /nfs/dbraw/zinc/30/07/70/625300770.db2.gz MHHKFHVEDBNOHJ-QGCOPXGNSA-N 2 2 294.786 0.990 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CCC[NH2+][C@@H]1C)CN1CCOCC1 ZINC000925510261 625335770 /nfs/dbraw/zinc/33/57/70/625335770.db2.gz VINUOFJNEZWWJC-MGPQQGTHSA-N 2 2 255.406 0.685 20 0 CCADLP C[C@H](CN[C@@H]1CCC[NH2+][C@@H]1C)C[NH+]1CCOCC1 ZINC000925510261 625335775 /nfs/dbraw/zinc/33/57/75/625335775.db2.gz VINUOFJNEZWWJC-MGPQQGTHSA-N 2 2 255.406 0.685 20 0 CCADLP Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001023159110 622932551 /nfs/dbraw/zinc/93/25/51/622932551.db2.gz QVIVCGKRZFFCNS-BETUJISGSA-N 2 2 288.355 0.054 20 0 CCADLP Cc1oncc1C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001023161147 622935377 /nfs/dbraw/zinc/93/53/77/622935377.db2.gz PWIHKQNFNAYIPZ-BETUJISGSA-N 2 2 289.339 0.617 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892550507 623519588 /nfs/dbraw/zinc/51/95/88/623519588.db2.gz LVMKNWQOEYPANM-MQYQWHSLSA-N 2 2 296.415 0.228 20 0 CCADLP C[NH+](C)C1CC[NH+](CCCOC(=O)NC(N)=O)CC1 ZINC000180431479 623602816 /nfs/dbraw/zinc/60/28/16/623602816.db2.gz AYRKVXRXVINAGK-UHFFFAOYSA-N 2 2 272.349 0.207 20 0 CCADLP Cc1nnc(C[NH2+][C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)o1 ZINC001019775721 623910228 /nfs/dbraw/zinc/91/02/28/623910228.db2.gz ANCXEXDOLSJZHV-LBPRGKRZSA-N 2 2 293.371 0.164 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1C[NH+](CCF)C1 ZINC000969967570 624567174 /nfs/dbraw/zinc/56/71/74/624567174.db2.gz DLHHTNFGRUBIPK-WCQYABFASA-N 2 2 271.380 0.877 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1C[NH+](CCF)C1 ZINC000969967570 624567177 /nfs/dbraw/zinc/56/71/77/624567177.db2.gz DLHHTNFGRUBIPK-WCQYABFASA-N 2 2 271.380 0.877 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1)[C@@H]1CCCC[NH2+]1 ZINC000902503899 634394329 /nfs/dbraw/zinc/39/43/29/634394329.db2.gz YOWQEDHTYDUHMB-UPJWGTAASA-N 2 2 291.399 0.881 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC000902499874 634394520 /nfs/dbraw/zinc/39/45/20/634394520.db2.gz KXHGVACVWAPJLP-SRVKXCTJSA-N 2 2 277.372 0.491 20 0 CCADLP C[C@H]([NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1)[C@H]1CCCC[NH2+]1 ZINC000902503896 634394555 /nfs/dbraw/zinc/39/45/55/634394555.db2.gz YOWQEDHTYDUHMB-RWMBFGLXSA-N 2 2 291.399 0.881 20 0 CCADLP CC(C)C[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001020926899 624625979 /nfs/dbraw/zinc/62/59/79/624625979.db2.gz GWVHCRFCYJYEAK-HAQNSBGRSA-N 2 2 264.373 0.855 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCF)C1 ZINC001021218852 624682602 /nfs/dbraw/zinc/68/26/02/624682602.db2.gz DDXXZSIYUVYCFI-WTUNAVPPSA-N 2 2 299.390 0.398 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCF)C1 ZINC001021218852 624682604 /nfs/dbraw/zinc/68/26/04/624682604.db2.gz DDXXZSIYUVYCFI-WTUNAVPPSA-N 2 2 299.390 0.398 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCF)C1 ZINC001021218852 624682606 /nfs/dbraw/zinc/68/26/06/624682606.db2.gz DDXXZSIYUVYCFI-WTUNAVPPSA-N 2 2 299.390 0.398 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCF)C1 ZINC001021218852 624682607 /nfs/dbraw/zinc/68/26/07/624682607.db2.gz DDXXZSIYUVYCFI-WTUNAVPPSA-N 2 2 299.390 0.398 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891350851 624822296 /nfs/dbraw/zinc/82/22/96/624822296.db2.gz WDPBQTQIZLPCDM-HZSPNIEDSA-N 2 2 296.415 0.243 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000891472674 624877738 /nfs/dbraw/zinc/87/77/38/624877738.db2.gz OTLLVKWXUCGBMV-VXGBXAGGSA-N 2 2 284.404 0.228 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000891472674 624877740 /nfs/dbraw/zinc/87/77/40/624877740.db2.gz OTLLVKWXUCGBMV-VXGBXAGGSA-N 2 2 284.404 0.228 20 0 CCADLP C[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000971652329 624884729 /nfs/dbraw/zinc/88/47/29/624884729.db2.gz OTQCMRSWOQRZAL-AAEUAGOBSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000971652329 624884730 /nfs/dbraw/zinc/88/47/30/624884730.db2.gz OTQCMRSWOQRZAL-AAEUAGOBSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000971652329 624884731 /nfs/dbraw/zinc/88/47/31/624884731.db2.gz OTQCMRSWOQRZAL-AAEUAGOBSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000971652329 624884732 /nfs/dbraw/zinc/88/47/32/624884732.db2.gz OTQCMRSWOQRZAL-AAEUAGOBSA-N 2 2 280.372 0.256 20 0 CCADLP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001022316210 624923267 /nfs/dbraw/zinc/92/32/67/624923267.db2.gz ZACFCLYWBNLJRJ-UTUOFQBUSA-N 2 2 262.357 0.702 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000891895881 624985012 /nfs/dbraw/zinc/98/50/12/624985012.db2.gz PWWYUMVJZGTGSL-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000891895881 624985028 /nfs/dbraw/zinc/98/50/28/624985028.db2.gz PWWYUMVJZGTGSL-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000891999061 625021988 /nfs/dbraw/zinc/02/19/88/625021988.db2.gz JGXFXZOPMIHHBP-JTQLQIEISA-N 2 2 251.334 0.219 20 0 CCADLP Cn1c[nH+]cc1CCON=C(N)C[NH+]1CCCCC1 ZINC000902655738 634425628 /nfs/dbraw/zinc/42/56/28/634425628.db2.gz TWABSVCFWHXSPP-UHFFFAOYSA-N 2 2 265.361 0.947 20 0 CCADLP CC(C)[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC001027124681 625736674 /nfs/dbraw/zinc/73/66/74/625736674.db2.gz PVBMIBGZXDHNBI-AWEZNQCLSA-N 2 2 297.443 0.944 20 0 CCADLP COC[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001009207867 625779878 /nfs/dbraw/zinc/77/98/78/625779878.db2.gz MNZPCJDYVVUGCH-CHWSQXEVSA-N 2 2 294.399 0.578 20 0 CCADLP COC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001009207867 625779886 /nfs/dbraw/zinc/77/98/86/625779886.db2.gz MNZPCJDYVVUGCH-CHWSQXEVSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000977450552 625940222 /nfs/dbraw/zinc/94/02/22/625940222.db2.gz FTIZFKWCIHTPQZ-AAEUAGOBSA-N 2 2 294.399 0.170 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000977450552 625940226 /nfs/dbraw/zinc/94/02/26/625940226.db2.gz FTIZFKWCIHTPQZ-AAEUAGOBSA-N 2 2 294.399 0.170 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000903441028 634562836 /nfs/dbraw/zinc/56/28/36/634562836.db2.gz HEQDDSIPSTUGRU-ZOBORPQBSA-N 2 2 254.374 0.722 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000903441028 634562839 /nfs/dbraw/zinc/56/28/39/634562839.db2.gz HEQDDSIPSTUGRU-ZOBORPQBSA-N 2 2 254.374 0.722 20 0 CCADLP C[C@@H]1C[N@H+](Cc2nnnn2CC(F)(F)F)C[C@H]1CC[NH3+] ZINC000903499826 634581772 /nfs/dbraw/zinc/58/17/72/634581772.db2.gz QNDXDDCHUPNWBR-RKDXNWHRSA-N 2 2 292.309 0.652 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2nnnn2CC(F)(F)F)C[C@H]1CC[NH3+] ZINC000903499826 634581789 /nfs/dbraw/zinc/58/17/89/634581789.db2.gz QNDXDDCHUPNWBR-RKDXNWHRSA-N 2 2 292.309 0.652 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903506534 634586327 /nfs/dbraw/zinc/58/63/27/634586327.db2.gz ALWQYJWCVUIHHM-YUELXQCFSA-N 2 2 294.443 0.364 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903506534 634586332 /nfs/dbraw/zinc/58/63/32/634586332.db2.gz ALWQYJWCVUIHHM-YUELXQCFSA-N 2 2 294.443 0.364 20 0 CCADLP [NH3+]CC12CC(C1)C[N@@H+]2C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903766841 634643855 /nfs/dbraw/zinc/64/38/55/634643855.db2.gz SKJLMMPQHUOHSZ-CEUNDQEZSA-N 3 2 251.374 0.178 20 0 CCADLP [NH3+]CC12CC(C1)C[N@H+]2C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903766841 634643857 /nfs/dbraw/zinc/64/38/57/634643857.db2.gz SKJLMMPQHUOHSZ-CEUNDQEZSA-N 3 2 251.374 0.178 20 0 CCADLP O=C(C[N@@H+]1CC[NH2+]CCC12CCOCC2)N1CCCC1 ZINC000903817943 634653996 /nfs/dbraw/zinc/65/39/96/634653996.db2.gz PPIKYFOHVWKIIO-UHFFFAOYSA-N 2 2 281.400 0.453 20 0 CCADLP O=C(C[N@H+]1CC[NH2+]CCC12CCOCC2)N1CCCC1 ZINC000903817943 634654003 /nfs/dbraw/zinc/65/40/03/634654003.db2.gz PPIKYFOHVWKIIO-UHFFFAOYSA-N 2 2 281.400 0.453 20 0 CCADLP [NH3+]C[C@]12CC[C@H]1CCC[N@@H+]2C[C@@H](O)COC1CCOCC1 ZINC000903805132 634656913 /nfs/dbraw/zinc/65/69/13/634656913.db2.gz MFMGEHCHAJWPPS-IIAWOOMASA-N 2 2 298.427 0.746 20 0 CCADLP [NH3+]C[C@]12CC[C@H]1CCC[N@H+]2C[C@@H](O)COC1CCOCC1 ZINC000903805132 634656922 /nfs/dbraw/zinc/65/69/22/634656922.db2.gz MFMGEHCHAJWPPS-IIAWOOMASA-N 2 2 298.427 0.746 20 0 CCADLP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CCOC1CCOCC1 ZINC000903859706 634670134 /nfs/dbraw/zinc/67/01/34/634670134.db2.gz ONUVVPHDCZVQAY-JSGCOSHPSA-N 2 2 254.374 0.995 20 0 CCADLP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CCOC1CCOCC1 ZINC000903859706 634670141 /nfs/dbraw/zinc/67/01/41/634670141.db2.gz ONUVVPHDCZVQAY-JSGCOSHPSA-N 2 2 254.374 0.995 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000903859851 634670644 /nfs/dbraw/zinc/67/06/44/634670644.db2.gz PCTNWQZDSYOKET-MBNYWOFBSA-N 3 2 251.374 0.321 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000903859851 634670650 /nfs/dbraw/zinc/67/06/50/634670650.db2.gz PCTNWQZDSYOKET-MBNYWOFBSA-N 3 2 251.374 0.321 20 0 CCADLP CC[C@@H]1C[N@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)CC[C@@H]1[NH3+] ZINC000903874420 634675672 /nfs/dbraw/zinc/67/56/72/634675672.db2.gz ZZNCBUSXBLACCB-LZWOXQAQSA-N 3 2 293.459 0.905 20 0 CCADLP CC[C@@H]1C[N@@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)CC[C@@H]1[NH3+] ZINC000903874420 634675677 /nfs/dbraw/zinc/67/56/77/634675677.db2.gz ZZNCBUSXBLACCB-LZWOXQAQSA-N 3 2 293.459 0.905 20 0 CCADLP Cc1c(C[C@@H](C[NH3+])C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cnn1C ZINC000903919583 634686396 /nfs/dbraw/zinc/68/63/96/634686396.db2.gz OLIGJCZBXZEJMD-DZGCQCFKSA-N 3 2 293.459 0.824 20 0 CCADLP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@@H+]1CCOCC2(CC2)C1 ZINC000903913169 634684345 /nfs/dbraw/zinc/68/43/45/634684345.db2.gz AJRHRBTXZBRFPP-ZDUSSCGKSA-N 2 2 291.399 0.815 20 0 CCADLP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@H+]1CCOCC2(CC2)C1 ZINC000903913169 634684347 /nfs/dbraw/zinc/68/43/47/634684347.db2.gz AJRHRBTXZBRFPP-ZDUSSCGKSA-N 2 2 291.399 0.815 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cnn1C ZINC000903916551 634694370 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C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000905149590 634809742 /nfs/dbraw/zinc/80/97/42/634809742.db2.gz RVSUJFGYGFWPGK-IJLUTSLNSA-N 2 2 265.361 0.663 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000905149590 634809746 /nfs/dbraw/zinc/80/97/46/634809746.db2.gz RVSUJFGYGFWPGK-IJLUTSLNSA-N 2 2 265.361 0.663 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]([N@@H+](C)C[C@@H](C)O)C1 ZINC001027664004 630839287 /nfs/dbraw/zinc/83/92/87/630839287.db2.gz NTIRUDGZIIYKNQ-YPMHNXCESA-N 2 2 294.399 0.564 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]([N@H+](C)C[C@@H](C)O)C1 ZINC001027664004 630839291 /nfs/dbraw/zinc/83/92/91/630839291.db2.gz NTIRUDGZIIYKNQ-YPMHNXCESA-N 2 2 294.399 0.564 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]([N@H+](C)CCO)C1 ZINC001027664421 630840355 /nfs/dbraw/zinc/84/03/55/630840355.db2.gz VFPLWTCKOKQXMY-GFCCVEGCSA-N 2 2 280.372 0.176 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]([N@@H+](C)CCO)C1 ZINC001027664421 630840360 /nfs/dbraw/zinc/84/03/60/630840360.db2.gz VFPLWTCKOKQXMY-GFCCVEGCSA-N 2 2 280.372 0.176 20 0 CCADLP C[C@@H](O)C[N@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027701507 630859474 /nfs/dbraw/zinc/85/94/74/630859474.db2.gz AIJXBMQNQWEWJM-OLZOCXBDSA-N 2 2 280.372 0.187 20 0 CCADLP C[C@@H](O)C[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027701507 630859475 /nfs/dbraw/zinc/85/94/75/630859475.db2.gz AIJXBMQNQWEWJM-OLZOCXBDSA-N 2 2 280.372 0.187 20 0 CCADLP O=C1C[C@H]([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CN1CC1CC1 ZINC000925771695 631012166 /nfs/dbraw/zinc/01/21/66/631012166.db2.gz NWOHIJGNNYXRTO-DZKIICNBSA-N 2 2 293.411 0.354 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([N@H+](C)CCF)C1 ZINC000980408654 631019269 /nfs/dbraw/zinc/01/92/69/631019269.db2.gz MPTWYRCISKMFMC-LBPRGKRZSA-N 2 2 268.336 0.694 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([N@@H+](C)CCF)C1 ZINC000980408654 631019277 /nfs/dbraw/zinc/01/92/77/631019277.db2.gz MPTWYRCISKMFMC-LBPRGKRZSA-N 2 2 268.336 0.694 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000925803239 631262686 /nfs/dbraw/zinc/26/26/86/631262686.db2.gz OECAUOVBMLNNET-REBRKWNGSA-N 3 2 267.417 0.589 20 0 CCADLP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC[N@@H+](CCO)CC1 ZINC000981331266 631269292 /nfs/dbraw/zinc/26/92/92/631269292.db2.gz KUDLOYIAKISILE-CYBMUJFWSA-N 2 2 292.383 0.287 20 0 CCADLP O=C([C@H]1CCCc2[nH+]ccn21)N1CCC[N@H+](CCO)CC1 ZINC000981331266 631269294 /nfs/dbraw/zinc/26/92/94/631269294.db2.gz KUDLOYIAKISILE-CYBMUJFWSA-N 2 2 292.383 0.287 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CCC[N@H+](CCF)CC1 ZINC000981624694 631296408 /nfs/dbraw/zinc/29/64/08/631296408.db2.gz DSMNBVWSKHPFQQ-UHFFFAOYSA-N 2 2 268.336 0.695 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CCC[N@@H+](CCF)CC1 ZINC000981624694 631296416 /nfs/dbraw/zinc/29/64/16/631296416.db2.gz DSMNBVWSKHPFQQ-UHFFFAOYSA-N 2 2 268.336 0.695 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000925822305 631324154 /nfs/dbraw/zinc/32/41/54/631324154.db2.gz LDGKVXINXDALDM-DEQVHRJGSA-N 2 2 254.374 0.911 20 0 CCADLP Cc1cc(N)nc(N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)[nH+]1 ZINC000894232054 631615355 /nfs/dbraw/zinc/61/53/55/631615355.db2.gz BEVJHGXXJVAQRQ-QWRGUYRKSA-N 2 2 265.361 0.259 20 0 CCADLP Cc1cc(N)nc(N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)[nH+]1 ZINC000894232054 631615363 /nfs/dbraw/zinc/61/53/63/631615363.db2.gz BEVJHGXXJVAQRQ-QWRGUYRKSA-N 2 2 265.361 0.259 20 0 CCADLP Cc1cc(N)nc(NCC[N@H+]2C[C@H](C)OC[C@H]2C)[nH+]1 ZINC000894521236 631782223 /nfs/dbraw/zinc/78/22/23/631782223.db2.gz KZXRJICATQFJKH-MNOVXSKESA-N 2 2 265.361 0.888 20 0 CCADLP Cc1cc(N)nc(NCC[N@@H+]2C[C@H](C)OC[C@H]2C)[nH+]1 ZINC000894521236 631782233 /nfs/dbraw/zinc/78/22/33/631782233.db2.gz KZXRJICATQFJKH-MNOVXSKESA-N 2 2 265.361 0.888 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC[N@@H+]1C ZINC000928437168 631839611 /nfs/dbraw/zinc/83/96/11/631839611.db2.gz KGYZFMRDWIXTDW-WZRBSPASSA-N 2 2 262.357 0.654 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC[N@H+]1C ZINC000928437168 631839614 /nfs/dbraw/zinc/83/96/14/631839614.db2.gz KGYZFMRDWIXTDW-WZRBSPASSA-N 2 2 262.357 0.654 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000894912578 631881845 /nfs/dbraw/zinc/88/18/45/631881845.db2.gz GUFQPHPJPKUMQB-UHFFFAOYSA-N 2 2 279.388 0.951 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000894912578 631881850 /nfs/dbraw/zinc/88/18/50/631881850.db2.gz GUFQPHPJPKUMQB-UHFFFAOYSA-N 2 2 279.388 0.951 20 0 CCADLP Cc1nc(N2CC[C@](O)(C[NH+](C)C)C2)c(C)c(C)[nH+]1 ZINC000895008868 631894763 /nfs/dbraw/zinc/89/47/63/631894763.db2.gz HCFXNEHZZFWATE-AWEZNQCLSA-N 2 2 264.373 0.905 20 0 CCADLP CC(C)[NH2+]C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000984859066 632330171 /nfs/dbraw/zinc/33/01/71/632330171.db2.gz SPLSHZUCZFZFKO-XYPYZODXSA-N 2 2 250.346 0.845 20 0 CCADLP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000985403490 632462011 /nfs/dbraw/zinc/46/20/11/632462011.db2.gz WRHIWRNWVKKTHJ-GFCCVEGCSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000985403490 632462016 /nfs/dbraw/zinc/46/20/16/632462016.db2.gz WRHIWRNWVKKTHJ-GFCCVEGCSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@H](O)C[N@H+](C)C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000985403494 632462256 /nfs/dbraw/zinc/46/22/56/632462256.db2.gz WRHIWRNWVKKTHJ-LBPRGKRZSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@H](O)C[N@@H+](C)C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000985403494 632462258 /nfs/dbraw/zinc/46/22/58/632462258.db2.gz WRHIWRNWVKKTHJ-LBPRGKRZSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@H](O)C[N@H+](C)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000985750455 632635545 /nfs/dbraw/zinc/63/55/45/632635545.db2.gz FURWYUKBQPMPNU-LBPRGKRZSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@H](O)C[N@@H+](C)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000985750455 632635549 /nfs/dbraw/zinc/63/55/49/632635549.db2.gz FURWYUKBQPMPNU-LBPRGKRZSA-N 2 2 294.399 0.266 20 0 CCADLP CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000988743431 633099765 /nfs/dbraw/zinc/09/97/65/633099765.db2.gz MGPLFFIDMNMSOL-WDEREUQCSA-N 2 2 250.346 0.941 20 0 CCADLP CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000988743429 633100515 /nfs/dbraw/zinc/10/05/15/633100515.db2.gz MGPLFFIDMNMSOL-MNOVXSKESA-N 2 2 250.346 0.941 20 0 CCADLP CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCn2cc[nH+]c2)C1 ZINC000989266436 633179951 /nfs/dbraw/zinc/17/99/51/633179951.db2.gz MJMBFLZYJBIFIV-NWDGAFQWSA-N 2 2 250.346 0.872 20 0 CCADLP O=C(N1CCC[N@@H+](CCF)CC1)C12CC[NH+](CC1)C2 ZINC000989490928 633318211 /nfs/dbraw/zinc/31/82/11/633318211.db2.gz OTFMMRRIXJOIFB-UHFFFAOYSA-N 2 2 269.364 0.586 20 0 CCADLP O=C(N1CCC[N@H+](CCF)CC1)C12CC[NH+](CC1)C2 ZINC000989490928 633318215 /nfs/dbraw/zinc/31/82/15/633318215.db2.gz OTFMMRRIXJOIFB-UHFFFAOYSA-N 2 2 269.364 0.586 20 0 CCADLP CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000989614169 633336409 /nfs/dbraw/zinc/33/64/09/633336409.db2.gz DBBRSLVORKHEPH-GHMZBOCLSA-N 2 2 250.346 0.941 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CC2CC2)CN1C(=O)Cc1c[nH+]cn1C ZINC000989677875 633343774 /nfs/dbraw/zinc/34/37/74/633343774.db2.gz AMFYBVNIZOLUDG-AAEUAGOBSA-N 2 2 276.384 0.952 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CC2CC2)CN1C(=O)Cn1cc[nH+]c1 ZINC000989853878 633364430 /nfs/dbraw/zinc/36/44/30/633364430.db2.gz OCMBOMGHHHMSQN-DGCLKSJQSA-N 2 2 262.357 0.872 20 0 CCADLP O=C(N[C@H]1CCC[N@@H+](CCO)C1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001008486690 650116648 /nfs/dbraw/zinc/11/66/48/650116648.db2.gz IGZBKZBZOOKFKI-NWDGAFQWSA-N 2 2 292.383 0.403 20 0 CCADLP O=C(N[C@H]1CCC[N@H+](CCO)C1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001008486690 650116651 /nfs/dbraw/zinc/11/66/51/650116651.db2.gz IGZBKZBZOOKFKI-NWDGAFQWSA-N 2 2 292.383 0.403 20 0 CCADLP C[C@H](NC(=[NH2+])NCC[NH+]1CCSCC1)C1CC1 ZINC000899267794 633784853 /nfs/dbraw/zinc/78/48/53/633784853.db2.gz VXYHJOFVXCKHFZ-JTQLQIEISA-N 2 2 256.419 0.948 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000900600976 634051028 /nfs/dbraw/zinc/05/10/28/634051028.db2.gz CMIMGHCNSFLURG-SOUVJXGZSA-N 2 2 295.427 0.528 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000900600976 634051033 /nfs/dbraw/zinc/05/10/33/634051033.db2.gz CMIMGHCNSFLURG-SOUVJXGZSA-N 2 2 295.427 0.528 20 0 CCADLP C[C@H]1CO[C@H](C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000900692649 634071933 /nfs/dbraw/zinc/07/19/33/634071933.db2.gz IWEHWXZBTCMSLJ-HIFRSBDPSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@H]1CO[C@H](C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000900692649 634071937 /nfs/dbraw/zinc/07/19/37/634071937.db2.gz IWEHWXZBTCMSLJ-HIFRSBDPSA-N 2 2 297.443 0.896 20 0 CCADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000908758622 635449385 /nfs/dbraw/zinc/44/93/85/635449385.db2.gz ODRYCCRQWAGAPC-DYEKYZERSA-N 2 2 274.368 0.941 20 0 CCADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000908758622 635449391 /nfs/dbraw/zinc/44/93/91/635449391.db2.gz ODRYCCRQWAGAPC-DYEKYZERSA-N 2 2 274.368 0.941 20 0 CCADLP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001010425675 650222902 /nfs/dbraw/zinc/22/29/02/650222902.db2.gz FECTUIVUMDBVCO-ZIAGYGMSSA-N 2 2 281.400 0.474 20 0 CCADLP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001010425675 650222905 /nfs/dbraw/zinc/22/29/05/650222905.db2.gz FECTUIVUMDBVCO-ZIAGYGMSSA-N 2 2 281.400 0.474 20 0 CCADLP CC(C)=CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001010425675 650222892 /nfs/dbraw/zinc/22/28/92/650222892.db2.gz FECTUIVUMDBVCO-ZIAGYGMSSA-N 2 2 281.400 0.474 20 0 CCADLP CC(C)=CC[NH+]1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001010425675 650222900 /nfs/dbraw/zinc/22/29/00/650222900.db2.gz FECTUIVUMDBVCO-ZIAGYGMSSA-N 2 2 281.400 0.474 20 0 CCADLP C/C(=C\C(=O)N(C)C[C@H]1CCC[N@@H+]1C)C[NH+]1CCOCC1 ZINC000911202007 636193521 /nfs/dbraw/zinc/19/35/21/636193521.db2.gz SWPDIASNIMGOTN-ATGUSINASA-N 2 2 295.427 0.818 20 0 CCADLP C/C(=C\C(=O)N(C)C[C@H]1CCC[N@H+]1C)C[NH+]1CCOCC1 ZINC000911202007 636193526 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C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC1([NH+](C)C)CC1 ZINC000914083105 637506396 /nfs/dbraw/zinc/50/63/96/637506396.db2.gz OMOUUIXNQNRARF-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCC1([NH+](C)C)CC1 ZINC000917224846 637959547 /nfs/dbraw/zinc/95/95/47/637959547.db2.gz WXFZHHWUPYOXSX-ZDUSSCGKSA-N 2 2 297.447 0.016 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC000941130801 638515114 /nfs/dbraw/zinc/51/51/14/638515114.db2.gz VFYYTVXXBSHEQO-NEPJUHHUSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC000941130801 638515117 /nfs/dbraw/zinc/51/51/17/638515117.db2.gz VFYYTVXXBSHEQO-NEPJUHHUSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@@H]1C[N@H+](CCF)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945807222 638795467 /nfs/dbraw/zinc/79/54/67/638795467.db2.gz HZILZFGAOMTSNZ-VXGBXAGGSA-N 2 2 268.336 0.679 20 0 CCADLP C[C@@H]1C[N@@H+](CCF)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945807222 638795469 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Cc1cc(CNC(=O)c2[nH]nc3c2C[NH2+]CC3)cc(C)[nH+]1 ZINC000422632454 639513836 /nfs/dbraw/zinc/51/38/36/639513836.db2.gz MGBPXBJGWSQMGU-UHFFFAOYSA-N 2 2 285.351 0.997 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001014939704 650506072 /nfs/dbraw/zinc/50/60/72/650506072.db2.gz DTJBDLVGTDXBPS-CMPLNLGQSA-N 2 2 288.351 0.748 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001014939704 650506076 /nfs/dbraw/zinc/50/60/76/650506076.db2.gz DTJBDLVGTDXBPS-CMPLNLGQSA-N 2 2 288.351 0.748 20 0 CCADLP O=C(N[C@H]1CC[N@@H+](CCCO)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001015001309 650513788 /nfs/dbraw/zinc/51/37/88/650513788.db2.gz VAUCTDOJFZFCCB-STQMWFEESA-N 2 2 292.383 0.018 20 0 CCADLP O=C(N[C@H]1CC[N@H+](CCCO)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001015001309 650513794 /nfs/dbraw/zinc/51/37/94/650513794.db2.gz VAUCTDOJFZFCCB-STQMWFEESA-N 2 2 292.383 0.018 20 0 CCADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923327723 640081028 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CCADLP O[C@H](Cn1cccn1)C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000923382081 640113074 /nfs/dbraw/zinc/11/30/74/640113074.db2.gz XKICVELSRLHULE-QWHCGFSZSA-N 2 2 250.346 0.072 20 0 CCADLP C[C@@H]1CC[N@H+](C[C@@H](O)Cn2cccn2)[C@H](C[NH3+])C1 ZINC000923388355 640117861 /nfs/dbraw/zinc/11/78/61/640117861.db2.gz INLOUIQGZSJFDO-FRRDWIJNSA-N 2 2 252.362 0.303 20 0 CCADLP C[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)[C@H](C[NH3+])C1 ZINC000923388355 640117863 /nfs/dbraw/zinc/11/78/63/640117863.db2.gz INLOUIQGZSJFDO-FRRDWIJNSA-N 2 2 252.362 0.303 20 0 CCADLP [NH3+]CC[N@H+](C[C@H](O)CO)CC1CCC2(CC2)CC1 ZINC000923388480 640118359 /nfs/dbraw/zinc/11/83/59/640118359.db2.gz OUUTUBZSWSXIEX-ZDUSSCGKSA-N 2 2 256.390 0.571 20 0 CCADLP [NH3+]CC[N@@H+](C[C@H](O)CO)CC1CCC2(CC2)CC1 ZINC000923388480 640118365 /nfs/dbraw/zinc/11/83/65/640118365.db2.gz OUUTUBZSWSXIEX-ZDUSSCGKSA-N 2 2 256.390 0.571 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)COC[C@@H]1CCCO1 ZINC000923398642 640120476 /nfs/dbraw/zinc/12/04/76/640120476.db2.gz KXAQPTQVTFNRQJ-HZSPNIEDSA-N 2 2 284.400 0.417 20 0 CCADLP C[C@H]1C[N@H+](Cc2nc(C(C)(C)[NH3+])no2)CC[C@@H]1C[NH3+] ZINC000923505873 640171391 /nfs/dbraw/zinc/17/13/91/640171391.db2.gz CTSCJVJMTCGTSQ-VHSXEESVSA-N 3 2 267.377 0.680 20 0 CCADLP C[C@H]1C[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)CC[C@@H]1C[NH3+] ZINC000923505873 640171394 /nfs/dbraw/zinc/17/13/94/640171394.db2.gz CTSCJVJMTCGTSQ-VHSXEESVSA-N 3 2 267.377 0.680 20 0 CCADLP O=C(C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)NCc1ccc(F)cc1 ZINC000923520072 640173894 /nfs/dbraw/zinc/17/38/94/640173894.db2.gz AWFLDRGRLPROQL-UONOGXRCSA-N 2 2 291.370 0.983 20 0 CCADLP O=C(C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)NCc1ccc(F)cc1 ZINC000923520072 640173902 /nfs/dbraw/zinc/17/39/02/640173902.db2.gz AWFLDRGRLPROQL-UONOGXRCSA-N 2 2 291.370 0.983 20 0 CCADLP O[C@@H](Cn1cccn1)C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923536145 640180946 /nfs/dbraw/zinc/18/09/46/640180946.db2.gz MXYIMHUOLYOULV-KGLIPLIRSA-N 2 2 264.373 0.462 20 0 CCADLP O[C@@H](Cn1cccn1)C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923536145 640180950 /nfs/dbraw/zinc/18/09/50/640180950.db2.gz MXYIMHUOLYOULV-KGLIPLIRSA-N 2 2 264.373 0.462 20 0 CCADLP COCC[NH+]1CCC(N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001006190303 640199045 /nfs/dbraw/zinc/19/90/45/640199045.db2.gz WDDXHTDPUAYGIC-UHFFFAOYSA-N 2 2 280.372 0.521 20 0 CCADLP Cc1ccc([C@H](O)C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)o1 ZINC000817914072 641279364 /nfs/dbraw/zinc/27/93/64/641279364.db2.gz UAFWBKUCUVSZHS-VHDGCEQUSA-N 2 2 280.368 0.978 20 0 CCADLP O[C@@H](C[NH2+]CCn1cc[nH+]c1)c1ccc(F)cn1 ZINC000818956872 641369023 /nfs/dbraw/zinc/36/90/23/641369023.db2.gz AOPNOKCFDXBDMQ-LBPRGKRZSA-N 2 2 250.277 0.740 20 0 CCADLP CC[C@H](F)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001015996739 650672387 /nfs/dbraw/zinc/67/23/87/650672387.db2.gz PFESPHYAXLZMKF-RYUDHWBXSA-N 2 2 282.363 0.901 20 0 CCADLP CC[C@H](F)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001015996739 650672389 /nfs/dbraw/zinc/67/23/89/650672389.db2.gz PFESPHYAXLZMKF-RYUDHWBXSA-N 2 2 282.363 0.901 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001016001675 650673433 /nfs/dbraw/zinc/67/34/33/650673433.db2.gz PCYRCRCHWXEELD-NWDGAFQWSA-N 2 2 280.372 0.188 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001016001675 650673438 /nfs/dbraw/zinc/67/34/38/650673438.db2.gz PCYRCRCHWXEELD-NWDGAFQWSA-N 2 2 280.372 0.188 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001016001677 650673564 /nfs/dbraw/zinc/67/35/64/650673564.db2.gz PCYRCRCHWXEELD-VXGBXAGGSA-N 2 2 280.372 0.188 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001016001677 650673568 /nfs/dbraw/zinc/67/35/68/650673568.db2.gz PCYRCRCHWXEELD-VXGBXAGGSA-N 2 2 280.372 0.188 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000823473582 641766643 /nfs/dbraw/zinc/76/66/43/641766643.db2.gz BFBVACFRMYBMKH-KBPBESRZSA-N 2 2 279.388 0.372 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000823473582 641766647 /nfs/dbraw/zinc/76/66/47/641766647.db2.gz BFBVACFRMYBMKH-KBPBESRZSA-N 2 2 279.388 0.372 20 0 CCADLP COc1c(C)c[nH+]c(CNC(=O)C[C@H]2COCC[NH2+]2)c1C ZINC000827970881 642054846 /nfs/dbraw/zinc/05/48/46/642054846.db2.gz ONISMYSBHPTWNW-LBPRGKRZSA-N 2 2 293.367 0.702 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)CCCCCC[NH3+] ZINC000828716269 642113537 /nfs/dbraw/zinc/11/35/37/642113537.db2.gz SUMAYHYCVFXUDM-ZDUSSCGKSA-N 2 2 271.405 0.733 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)CCCCCC[NH3+] ZINC000828716269 642113542 /nfs/dbraw/zinc/11/35/42/642113542.db2.gz SUMAYHYCVFXUDM-ZDUSSCGKSA-N 2 2 271.405 0.733 20 0 CCADLP C[C@@H](NC(=O)c1cccc(C[NH3+])c1)[C@@H](C)[NH+]1CCOCC1 ZINC000828771553 642119016 /nfs/dbraw/zinc/11/90/16/642119016.db2.gz BVUVZWQPWPQIII-CHWSQXEVSA-N 2 2 291.395 0.984 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001016398708 650724963 /nfs/dbraw/zinc/72/49/63/650724963.db2.gz WDYACUBRIBKSOC-QWHCGFSZSA-N 2 2 278.356 0.110 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001016398708 650724965 /nfs/dbraw/zinc/72/49/65/650724965.db2.gz WDYACUBRIBKSOC-QWHCGFSZSA-N 2 2 278.356 0.110 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3n[nH]c4c3C[NH2+]CC4)C[C@H]21 ZINC000834474704 642571901 /nfs/dbraw/zinc/57/19/01/642571901.db2.gz DTRCRPJBXCOQOO-YUSALJHKSA-N 2 2 289.383 0.255 20 0 CCADLP O=C(CO[C@H]1CCC[NH2+]C1)NCCCNc1cccc[nH+]1 ZINC000844171443 643170503 /nfs/dbraw/zinc/17/05/03/643170503.db2.gz UMFSKBMGFSYHCV-ZDUSSCGKSA-N 2 2 292.383 0.768 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-n3ccnc3)nc2)CCCO1 ZINC000844225502 643186542 /nfs/dbraw/zinc/18/65/42/643186542.db2.gz BVQQAISJZSHMOL-CQSZACIVSA-N 2 2 287.367 0.817 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)nc2)CCCO1 ZINC000844225502 643186546 /nfs/dbraw/zinc/18/65/46/643186546.db2.gz BVQQAISJZSHMOL-CQSZACIVSA-N 2 2 287.367 0.817 20 0 CCADLP C[C@@H](CC(=O)N1CC[N@H+](C)[C@H](C)C1)n1cc[nH+]c1 ZINC000845637430 643335811 /nfs/dbraw/zinc/33/58/11/643335811.db2.gz DZGCKVBLQZDMSA-NWDGAFQWSA-N 2 2 250.346 0.997 20 0 CCADLP C[C@@H](CC(=O)N1CC[N@@H+](C)[C@H](C)C1)n1cc[nH+]c1 ZINC000845637430 643335817 /nfs/dbraw/zinc/33/58/17/643335817.db2.gz DZGCKVBLQZDMSA-NWDGAFQWSA-N 2 2 250.346 0.997 20 0 CCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC000845638012 643335858 /nfs/dbraw/zinc/33/58/58/643335858.db2.gz KLWKDJPHBMXOMY-WCQYABFASA-N 2 2 276.384 0.916 20 0 CCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC000845638012 643335865 /nfs/dbraw/zinc/33/58/65/643335865.db2.gz KLWKDJPHBMXOMY-WCQYABFASA-N 2 2 276.384 0.916 20 0 CCADLP O=C1O[C@H](C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CN1C1CC1 ZINC000848721395 643671692 /nfs/dbraw/zinc/67/16/92/643671692.db2.gz KJYRTFIOEPLNEX-HZSPNIEDSA-N 2 2 295.383 0.326 20 0 CCADLP [NH2+]=C(NCCCCn1cc[nH+]c1)NC[C@H]1CCCO1 ZINC000848995329 643695371 /nfs/dbraw/zinc/69/53/71/643695371.db2.gz GFLNZELUCPIHDH-GFCCVEGCSA-N 2 2 265.361 0.956 20 0 CCADLP Cc1cnc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)o1 ZINC001018627656 650886249 /nfs/dbraw/zinc/88/62/49/650886249.db2.gz HRQKJHVMGRNXRR-QWHCGFSZSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1cnc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)o1 ZINC001018627656 650886252 /nfs/dbraw/zinc/88/62/52/650886252.db2.gz HRQKJHVMGRNXRR-QWHCGFSZSA-N 2 2 292.383 0.768 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)N1CC[NH+](C)CC1 ZINC000925490144 644411779 /nfs/dbraw/zinc/41/17/79/644411779.db2.gz AVCHIVZZGLGNAO-ZIAGYGMSSA-N 3 2 266.433 0.497 20 0 CCADLP C[C@H](C[NH2+][C@H]1CCC[NH2+][C@H]1C)CN1CC[NH+](C)CC1 ZINC000925490207 644418502 /nfs/dbraw/zinc/41/85/02/644418502.db2.gz MCZCAMXNZYOGRU-ILXRZTDVSA-N 3 2 268.449 0.600 20 0 CCADLP Cn1ncc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)n1 ZINC000857085720 644461772 /nfs/dbraw/zinc/46/17/72/644461772.db2.gz GTWKXHVXKCSRQZ-JSGCOSHPSA-N 2 2 279.388 0.533 20 0 CCADLP Cn1ncc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)n1 ZINC000857086445 644462602 /nfs/dbraw/zinc/46/26/02/644462602.db2.gz KNLLVHFUQRXJQA-ZIAGYGMSSA-N 2 2 279.388 0.533 20 0 CCADLP CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cnsn2)C1)[NH+](C)C ZINC001019032490 650931880 /nfs/dbraw/zinc/93/18/80/650931880.db2.gz ZUWZDHCSZHWIOM-CMPLNLGQSA-N 2 2 297.428 0.569 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001019061161 650934529 /nfs/dbraw/zinc/93/45/29/650934529.db2.gz SRIYWHBGNPZNCT-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP O=C(/C=C/C[NH+]1CCOCC1)NCC[NH+]1CCCC1 ZINC000864611461 645248527 /nfs/dbraw/zinc/24/85/27/645248527.db2.gz GQYQJWMBGMTNGB-ONEGZZNKSA-N 2 2 267.373 0.087 20 0 CCADLP CCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001019721183 651000954 /nfs/dbraw/zinc/00/09/54/651000954.db2.gz DLEPFOZMHJTHOS-LBPRGKRZSA-N 2 2 264.373 0.953 20 0 CCADLP CCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001019708804 651000324 /nfs/dbraw/zinc/00/03/24/651000324.db2.gz UBFIEWBHBLJOQQ-NSHDSACASA-N 2 2 250.346 0.861 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001019708533 651000401 /nfs/dbraw/zinc/00/04/01/651000401.db2.gz MFAAFTGZYOYHEK-STQMWFEESA-N 2 2 292.383 0.488 20 0 CCADLP O=C([C@H](O)c1c[nH+]c[nH]1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000865141853 645328145 /nfs/dbraw/zinc/32/81/45/645328145.db2.gz XIJHQOHNFDSJBE-GXTWGEPZSA-N 2 2 292.383 0.920 20 0 CCADLP Fc1cccc2c1C[N@H+](CCN1CC[NH2+]CC1)CCO2 ZINC000866727363 645583590 /nfs/dbraw/zinc/58/35/90/645583590.db2.gz LALNOBBFHNGZOS-UHFFFAOYSA-N 2 2 279.359 0.925 20 0 CCADLP Fc1cccc2c1C[N@@H+](CCN1CC[NH2+]CC1)CCO2 ZINC000866727363 645583597 /nfs/dbraw/zinc/58/35/97/645583597.db2.gz LALNOBBFHNGZOS-UHFFFAOYSA-N 2 2 279.359 0.925 20 0 CCADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@H](C)[NH3+])C2)c1 ZINC000867997837 645700961 /nfs/dbraw/zinc/70/09/61/645700961.db2.gz KPKDQULQLSIPJT-ZFWWWQNUSA-N 2 2 291.395 0.659 20 0 CCADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@H](C)[NH3+])C2)c1 ZINC000867997837 645700968 /nfs/dbraw/zinc/70/09/68/645700968.db2.gz KPKDQULQLSIPJT-ZFWWWQNUSA-N 2 2 291.395 0.659 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000868167765 645727712 /nfs/dbraw/zinc/72/77/12/645727712.db2.gz RDENJLNSSOAGSU-UHFFFAOYSA-N 2 2 286.339 0.783 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001020312094 651058084 /nfs/dbraw/zinc/05/80/84/651058084.db2.gz AQVOEQVGPMVVJM-CYDGBPFRSA-N 2 2 292.383 0.063 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000870909051 646042804 /nfs/dbraw/zinc/04/28/04/646042804.db2.gz JAEWKWGZFBNJBL-RSUWNVLCSA-N 2 2 286.379 0.904 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000870953768 646060310 /nfs/dbraw/zinc/06/03/10/646060310.db2.gz MGPOJXSKTUZOMI-KYEXWDHISA-N 2 2 279.384 0.047 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)C[C@H]1C(F)(F)F ZINC000872150309 646213089 /nfs/dbraw/zinc/21/30/89/646213089.db2.gz ZKDBZOVKRVBNAU-OPRDCNLKSA-N 3 2 251.296 0.665 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)C[C@H]1C(F)(F)F ZINC000872150309 646213094 /nfs/dbraw/zinc/21/30/94/646213094.db2.gz ZKDBZOVKRVBNAU-OPRDCNLKSA-N 3 2 251.296 0.665 20 0 CCADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1nnnn1C1CC1 ZINC000873220201 646361336 /nfs/dbraw/zinc/36/13/36/646361336.db2.gz QRVMPNURZNCCBD-IVZWLZJFSA-N 2 2 250.350 0.929 20 0 CCADLP [NH3+]C[C@@H](NC(=O)/C=C/C[NH+]1CCOCC1)C1CCCCC1 ZINC000876532134 646621493 /nfs/dbraw/zinc/62/14/93/646621493.db2.gz BYEKDAYKNADQKP-NFBGWVBBSA-N 2 2 295.427 0.899 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)/C=C\[C@@H]2CCC[NH2+]C2)CCO1 ZINC000876745694 646655980 /nfs/dbraw/zinc/65/59/80/646655980.db2.gz GBWNTQVRKJQWBZ-VSVUCHCSSA-N 2 2 281.400 0.379 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)/C=C\[C@@H]2CCC[NH2+]C2)CCO1 ZINC000876745694 646655984 /nfs/dbraw/zinc/65/59/84/646655984.db2.gz GBWNTQVRKJQWBZ-VSVUCHCSSA-N 2 2 281.400 0.379 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@]12CCC[C@H]1[NH2+]CC2)[NH+]1CCOCC1 ZINC000876756394 646658236 /nfs/dbraw/zinc/65/82/36/646658236.db2.gz TVLPNBXNHWNWIZ-NHIYQJMISA-N 2 2 295.427 0.744 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)[C@H](C)[NH+]1CCOCC1 ZINC000876756574 646658482 /nfs/dbraw/zinc/65/84/82/646658482.db2.gz VMXMQOFRMYEBLT-RCWTZXSCSA-N 2 2 291.342 0.052 20 0 CCADLP O=C(NCc1ccn2cc[nH+]c2c1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876768719 646660670 /nfs/dbraw/zinc/66/06/70/646660670.db2.gz YBCMBOGHAQVSJL-AAEUAGOBSA-N 2 2 276.315 0.898 20 0 CCADLP Cc1cnc(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)o1 ZINC000877011816 646715849 /nfs/dbraw/zinc/71/58/49/646715849.db2.gz JSWNDVSIGJATLQ-NSHDSACASA-N 2 2 252.362 0.709 20 0 CCADLP Cc1[nH+]cc(CN2CCC([NH+]3CCN(C)CC3)CC2)n1C ZINC000877746891 646838425 /nfs/dbraw/zinc/83/84/25/646838425.db2.gz LUMTWTFAEVYZRX-UHFFFAOYSA-N 2 2 291.443 0.940 20 0 CCADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](C[C@H]2CCCO2)CC1 ZINC000880251510 647175301 /nfs/dbraw/zinc/17/53/01/647175301.db2.gz ODVSXZDVHSEMMI-CQSZACIVSA-N 2 2 295.427 0.971 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N2CCC([NH3+])CC2)c[nH+]1 ZINC000884004517 647605608 /nfs/dbraw/zinc/60/56/08/647605608.db2.gz BRSSACBWVPSBDP-UHFFFAOYSA-N 2 2 250.346 0.876 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCC(=O)NC(C)(C)C ZINC000134201418 647706771 /nfs/dbraw/zinc/70/67/71/647706771.db2.gz CLYGMWCDEHZBLK-NEPJUHHUSA-N 2 2 271.405 0.648 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886832384 648023357 /nfs/dbraw/zinc/02/33/57/648023357.db2.gz HONJYKWWMLQZHO-FMKPAKJESA-N 2 2 293.411 0.309 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886832384 648023362 /nfs/dbraw/zinc/02/33/62/648023362.db2.gz HONJYKWWMLQZHO-FMKPAKJESA-N 2 2 293.411 0.309 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889743743 648241602 /nfs/dbraw/zinc/24/16/02/648241602.db2.gz IAQMPNKUMHPILP-STQMWFEESA-N 2 2 278.356 0.010 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889743743 648241607 /nfs/dbraw/zinc/24/16/07/648241607.db2.gz IAQMPNKUMHPILP-STQMWFEESA-N 2 2 278.356 0.010 20 0 CCADLP NC(=O)C1(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CCOCC1 ZINC000924649439 648374759 /nfs/dbraw/zinc/37/47/59/648374759.db2.gz OWMQYEZPKAIHAP-KGLIPLIRSA-N 2 2 295.427 0.875 20 0 CCADLP NC(=O)C1(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CCOCC1 ZINC000924649439 648374762 /nfs/dbraw/zinc/37/47/62/648374762.db2.gz OWMQYEZPKAIHAP-KGLIPLIRSA-N 2 2 295.427 0.875 20 0 CCADLP Cc1nonc1[C@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000924959324 648391979 /nfs/dbraw/zinc/39/19/79/648391979.db2.gz DFMLTVJFQKKVAK-QWRGUYRKSA-N 2 2 267.377 0.665 20 0 CCADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCNC(=O)c1ccco1 ZINC000925520409 648440872 /nfs/dbraw/zinc/44/08/72/648440872.db2.gz VGABDRBZOXFYNN-GHMZBOCLSA-N 2 2 251.330 0.740 20 0 CCADLP Cn1cc([C@H](O)C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cn1 ZINC000925518171 648440876 /nfs/dbraw/zinc/44/08/76/648440876.db2.gz PWFBIIWMAYKCJV-RJWUENCLSA-N 2 2 262.357 0.040 20 0 CCADLP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2C[NH2+]CCOC2)C[C@H](C)O1 ZINC000925568347 648443415 /nfs/dbraw/zinc/44/34/15/648443415.db2.gz JTSAGPRSDXTLEA-QLFBSQMISA-N 3 2 285.432 0.454 20 0 CCADLP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2C[NH2+]CCOC2)C[C@H](C)O1 ZINC000925568347 648443417 /nfs/dbraw/zinc/44/34/17/648443417.db2.gz JTSAGPRSDXTLEA-QLFBSQMISA-N 3 2 285.432 0.454 20 0 CCADLP O=C([C@@H]1CC[C@H]([NH2+][C@H]2C[NH2+]CCOC2)C1)N1CCCCC1 ZINC000925656485 648451033 /nfs/dbraw/zinc/45/10/33/648451033.db2.gz XMSYYKJVKRYYBG-ILXRZTDVSA-N 2 2 295.427 0.746 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000925712959 648455698 /nfs/dbraw/zinc/45/56/98/648455698.db2.gz WHMAGHAWIXNCFY-LBDPXKHJSA-N 3 2 280.460 0.933 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000925712959 648455701 /nfs/dbraw/zinc/45/57/01/648455701.db2.gz WHMAGHAWIXNCFY-LBDPXKHJSA-N 3 2 280.460 0.933 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](CO)C[C@H]1CCCO1 ZINC000925765752 648459092 /nfs/dbraw/zinc/45/90/92/648459092.db2.gz DQQKGOGQJZIZBK-AAVRWANBSA-N 2 2 272.389 0.273 20 0 CCADLP O=S1(=O)CCC[C@H]1CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925765599 648459109 /nfs/dbraw/zinc/45/91/09/648459109.db2.gz LOHAOKGKXBJJOJ-RYUDHWBXSA-N 2 2 272.414 0.828 20 0 CCADLP O=S1(=O)CCC[C@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000925787262 648461452 /nfs/dbraw/zinc/46/14/52/648461452.db2.gz ZPZYXARACTXUSA-UWVGGRQHSA-N 2 2 282.356 0.398 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925839200 648465366 /nfs/dbraw/zinc/46/53/66/648465366.db2.gz GZFKIDFGBMNVBC-BYNSBNAKSA-N 3 2 267.417 0.875 20 0 CCADLP Cn1nccc1[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925888630 648468929 /nfs/dbraw/zinc/46/89/29/648468929.db2.gz DNGSUSKQAFHSCO-NWDGAFQWSA-N 2 2 250.346 0.328 20 0 CCADLP O=C(NCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccn[nH]1 ZINC000926117716 648487465 /nfs/dbraw/zinc/48/74/65/648487465.db2.gz UUWMWVWHGBEQJQ-JSGCOSHPSA-N 2 2 291.399 0.746 20 0 CCADLP O=C(NCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccn[nH]1 ZINC000926117716 648487466 /nfs/dbraw/zinc/48/74/66/648487466.db2.gz UUWMWVWHGBEQJQ-JSGCOSHPSA-N 2 2 291.399 0.746 20 0 CCADLP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000926502899 648506979 /nfs/dbraw/zinc/50/69/79/648506979.db2.gz BABPGICTHRVDEH-MGPQQGTHSA-N 2 2 283.416 0.480 20 0 CCADLP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000926502899 648506983 /nfs/dbraw/zinc/50/69/83/648506983.db2.gz BABPGICTHRVDEH-MGPQQGTHSA-N 2 2 283.416 0.480 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928082387 648612930 /nfs/dbraw/zinc/61/29/30/648612930.db2.gz RALJOLDMHVYZCL-NWDGAFQWSA-N 2 2 280.397 0.579 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928082387 648612933 /nfs/dbraw/zinc/61/29/33/648612933.db2.gz RALJOLDMHVYZCL-NWDGAFQWSA-N 2 2 280.397 0.579 20 0 CCADLP Nc1cc[nH+]c2c1C[N@H+](C[C@H]1CCC3(COC3)O1)CC2 ZINC000931515805 648999082 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C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCCN1CCOC1=O ZINC000931727200 649023336 /nfs/dbraw/zinc/02/33/36/649023336.db2.gz QSBLNPIVHFPHGP-QWHCGFSZSA-N 2 2 267.373 0.997 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000933374385 649119824 /nfs/dbraw/zinc/11/98/24/649119824.db2.gz BENMVLFWYIOTHY-KGLIPLIRSA-N 2 2 286.416 0.617 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000933374385 649119825 /nfs/dbraw/zinc/11/98/25/649119825.db2.gz BENMVLFWYIOTHY-KGLIPLIRSA-N 2 2 286.416 0.617 20 0 CCADLP CC(C)(CNC(=O)C[C@@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000089746466 649662884 /nfs/dbraw/zinc/66/28/84/649662884.db2.gz PTOCFBUFSXCFCV-LBPRGKRZSA-N 2 2 269.389 0.213 20 0 CCADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2CN2CCCC2=O)C1 ZINC000246984990 649697709 /nfs/dbraw/zinc/69/77/09/649697709.db2.gz ORDMZEDLCPUDAJ-STQMWFEESA-N 2 2 251.374 0.982 20 0 CCADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2CN2CCCC2=O)C1 ZINC000246984990 649697710 /nfs/dbraw/zinc/69/77/10/649697710.db2.gz ORDMZEDLCPUDAJ-STQMWFEESA-N 2 2 251.374 0.982 20 0 CCADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2CN2CCCC2=O)C1 ZINC000246984990 649697714 /nfs/dbraw/zinc/69/77/14/649697714.db2.gz ORDMZEDLCPUDAJ-STQMWFEESA-N 2 2 251.374 0.982 20 0 CCADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2CN2CCCC2=O)C1 ZINC000246984990 649697715 /nfs/dbraw/zinc/69/77/15/649697715.db2.gz ORDMZEDLCPUDAJ-STQMWFEESA-N 2 2 251.374 0.982 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1[NH2+]CCO ZINC001230338253 805595639 /nfs/dbraw/zinc/59/56/39/805595639.db2.gz CCPZKSYAHAXRHL-ZIAGYGMSSA-N 2 2 294.399 0.673 20 0 CCADLP Cn1c[nH+]cc1CN1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001039005621 790327066 /nfs/dbraw/zinc/32/70/66/790327066.db2.gz HDYDPWGSAHZFNN-OLZOCXBDSA-N 2 2 291.399 0.062 20 0 CCADLP Cn1c[nH+]cc1CN1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039005621 790327079 /nfs/dbraw/zinc/32/70/79/790327079.db2.gz HDYDPWGSAHZFNN-OLZOCXBDSA-N 2 2 291.399 0.062 20 0 CCADLP CC(=O)N1CC[N@@H+](C[C@@H]2CCC[NH+](C)C2)C[C@H]1C ZINC001208613957 790432523 /nfs/dbraw/zinc/43/25/23/790432523.db2.gz BXNXHNHOFFOFQI-TZMCWYRMSA-N 2 2 253.390 0.881 20 0 CCADLP CC(=O)N1CC[N@H+](C[C@@H]2CCC[NH+](C)C2)C[C@H]1C ZINC001208613957 790432533 /nfs/dbraw/zinc/43/25/33/790432533.db2.gz BXNXHNHOFFOFQI-TZMCWYRMSA-N 2 2 253.390 0.881 20 0 CCADLP CC(=O)N1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)C[C@H]1C ZINC001208613957 790432544 /nfs/dbraw/zinc/43/25/44/790432544.db2.gz BXNXHNHOFFOFQI-TZMCWYRMSA-N 2 2 253.390 0.881 20 0 CCADLP CC(=O)N1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)C[C@H]1C ZINC001208613957 790432547 /nfs/dbraw/zinc/43/25/47/790432547.db2.gz BXNXHNHOFFOFQI-TZMCWYRMSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@@H](O)CCC[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209835496 790695667 /nfs/dbraw/zinc/69/56/67/790695667.db2.gz CENRALRRHXSUKL-OLZOCXBDSA-N 2 2 294.399 0.694 20 0 CCADLP CCOC1CC(C[NH2+]CCCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001167346594 790936890 /nfs/dbraw/zinc/93/68/90/790936890.db2.gz PZNRUYWCNOXQLY-UHFFFAOYSA-N 2 2 294.399 0.863 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]C[C@H]1C[C@@]12CCOC2 ZINC001167349776 790944046 /nfs/dbraw/zinc/94/40/46/790944046.db2.gz GHFUAVHAGFDMJP-IUODEOHRSA-N 2 2 292.383 0.475 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001266628055 791054949 /nfs/dbraw/zinc/05/49/49/791054949.db2.gz ADHXVRWYGFSDNK-GMTAPVOTSA-N 2 2 266.345 0.224 20 0 CCADLP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001167427783 791061878 /nfs/dbraw/zinc/06/18/78/791061878.db2.gz AEMPFXGWZUPNEC-RYUDHWBXSA-N 2 2 295.387 0.065 20 0 CCADLP C[NH+](C)CCN1CC[NH+](Cc2[nH]nc3c2CCC3)CC1 ZINC001232428633 805936955 /nfs/dbraw/zinc/93/69/55/805936955.db2.gz OZOAAMXAERZPRQ-UHFFFAOYSA-N 2 2 277.416 0.578 20 0 CCADLP c1cn(CC[N@@H+]2CCO[C@H]3CN(c4cc[nH+]cc4)C[C@H]32)cn1 ZINC001277694682 805963687 /nfs/dbraw/zinc/96/36/87/805963687.db2.gz TYOCVOIVMCORPX-CVEARBPZSA-N 2 2 299.378 0.868 20 0 CCADLP c1cn(CC[N@H+]2CCO[C@H]3CN(c4cc[nH+]cc4)C[C@H]32)cn1 ZINC001277694682 805963692 /nfs/dbraw/zinc/96/36/92/805963692.db2.gz TYOCVOIVMCORPX-CVEARBPZSA-N 2 2 299.378 0.868 20 0 CCADLP c1cn(CCN2[C@H]3COC[C@@H]2CN(c2cc[nH+]cc2)C3)c[nH+]1 ZINC001277694145 805964428 /nfs/dbraw/zinc/96/44/28/805964428.db2.gz QLJYJXGBHLIXLU-IYBDPMFKSA-N 2 2 299.378 0.868 20 0 CCADLP Cc1ncc(C[NH+]2CCN(CC[NH+](C)C)CC2)o1 ZINC001233365015 806045072 /nfs/dbraw/zinc/04/50/72/806045072.db2.gz SESIRCHASJMXDA-UHFFFAOYSA-N 2 2 252.362 0.662 20 0 CCADLP CC(C)(O)CC[NH+]1CCN(Cc2cccc(N)[nH+]2)CC1 ZINC001233372837 806050976 /nfs/dbraw/zinc/05/09/76/806050976.db2.gz HRRBOZCUIISUKG-UHFFFAOYSA-N 2 2 278.400 0.942 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CCF ZINC001266951048 791385023 /nfs/dbraw/zinc/38/50/23/791385023.db2.gz ZENLOGSPHXHNDS-WDEREUQCSA-N 2 2 268.336 0.509 20 0 CCADLP CC[C@@H](F)C[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001266996121 791429470 /nfs/dbraw/zinc/42/94/70/791429470.db2.gz NDLXYHDGPRCOHH-WDEREUQCSA-N 2 2 256.325 0.726 20 0 CCADLP C[C@@H](O)C[NH2+]CC1(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001167529093 791510097 /nfs/dbraw/zinc/51/00/97/791510097.db2.gz ZITRBNAAFNCKQU-LLVKDONJSA-N 2 2 280.372 0.209 20 0 CCADLP CC[N@H+](C)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001267198498 791661717 /nfs/dbraw/zinc/66/17/17/791661717.db2.gz RIGHFHURFLFKDN-UHFFFAOYSA-N 2 2 264.373 0.830 20 0 CCADLP CC[N@@H+](C)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001267198498 791661721 /nfs/dbraw/zinc/66/17/21/791661721.db2.gz RIGHFHURFLFKDN-UHFFFAOYSA-N 2 2 264.373 0.830 20 0 CCADLP CC[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)[C@@H](C)COC ZINC001267250785 793245202 /nfs/dbraw/zinc/24/52/02/793245202.db2.gz OHXJWUNNDUZXIS-NSHDSACASA-N 2 2 268.361 0.425 20 0 CCADLP CC[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)[C@@H](C)COC ZINC001267250785 793245209 /nfs/dbraw/zinc/24/52/09/793245209.db2.gz OHXJWUNNDUZXIS-NSHDSACASA-N 2 2 268.361 0.425 20 0 CCADLP Oc1c(F)ccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c1F ZINC001234994636 806339513 /nfs/dbraw/zinc/33/95/13/806339513.db2.gz YOXYKPQFUJEZHY-AWEZNQCLSA-N 2 2 283.322 0.808 20 0 CCADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235051931 806353057 /nfs/dbraw/zinc/35/30/57/806353057.db2.gz CIYHVDSGAOBGNH-UPJWGTAASA-N 3 2 288.386 0.115 20 0 CCADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235051931 806353066 /nfs/dbraw/zinc/35/30/66/806353066.db2.gz CIYHVDSGAOBGNH-UPJWGTAASA-N 3 2 288.386 0.115 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001235302961 806403421 /nfs/dbraw/zinc/40/34/21/806403421.db2.gz IMLPYWFPYOGPJX-KGLIPLIRSA-N 2 2 293.415 0.366 20 0 CCADLP CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001235302961 806403426 /nfs/dbraw/zinc/40/34/26/806403426.db2.gz IMLPYWFPYOGPJX-KGLIPLIRSA-N 2 2 293.415 0.366 20 0 CCADLP C[C@@H]([NH3+])C[N@H+]1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]2C1 ZINC001235467250 806427321 /nfs/dbraw/zinc/42/73/21/806427321.db2.gz MYFXJCVVNVSTRD-COMQUAJESA-N 2 2 281.400 0.435 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+]1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]2C1 ZINC001235467250 806427323 /nfs/dbraw/zinc/42/73/23/806427323.db2.gz MYFXJCVVNVSTRD-COMQUAJESA-N 2 2 281.400 0.435 20 0 CCADLP C[C@@H]([NH3+])C[NH+]1CCC2(C[C@H](C(=O)NC3CCC3)CO2)CC1 ZINC001235598676 806468933 /nfs/dbraw/zinc/46/89/33/806468933.db2.gz XQQQQALPOTYVBQ-OLZOCXBDSA-N 2 2 295.427 0.873 20 0 CCADLP [NH3+]CC[N@@H+]1C[C@@H]2COC[C@]2(COCc2cccnc2)C1 ZINC001235618716 806474572 /nfs/dbraw/zinc/47/45/72/806474572.db2.gz OQIHQPFJSTYWJF-HUUCEWRRSA-N 2 2 277.368 0.505 20 0 CCADLP [NH3+]CC[N@H+]1C[C@@H]2COC[C@]2(COCc2cccnc2)C1 ZINC001235618716 806474576 /nfs/dbraw/zinc/47/45/76/806474576.db2.gz OQIHQPFJSTYWJF-HUUCEWRRSA-N 2 2 277.368 0.505 20 0 CCADLP [NH3+]CC[N@H+]1C[C@H]2CN(C(=O)c3cccnc3)C[C@H]2C1 ZINC001235617374 806475673 /nfs/dbraw/zinc/47/56/73/806475673.db2.gz GMZFSPASFKTCGX-BETUJISGSA-N 2 2 260.341 0.044 20 0 CCADLP [NH3+]CC[N@@H+]1C[C@H]2CN(C(=O)c3cccnc3)C[C@H]2C1 ZINC001235617374 806475678 /nfs/dbraw/zinc/47/56/78/806475678.db2.gz GMZFSPASFKTCGX-BETUJISGSA-N 2 2 260.341 0.044 20 0 CCADLP CC(C)C(=O)NC[C@@H]1CCC[C@]2(CC[N@H+](CC[NH3+])C2)O1 ZINC001235630727 806476485 /nfs/dbraw/zinc/47/64/85/806476485.db2.gz RHGWMLCYAKYUKO-DZGCQCFKSA-N 2 2 283.416 0.731 20 0 CCADLP CC(C)C(=O)NC[C@@H]1CCC[C@]2(CC[N@@H+](CC[NH3+])C2)O1 ZINC001235630727 806476492 /nfs/dbraw/zinc/47/64/92/806476492.db2.gz RHGWMLCYAKYUKO-DZGCQCFKSA-N 2 2 283.416 0.731 20 0 CCADLP CCOC[C@H]1C(=O)N(CC)CC12CC[NH+](C[C@@H](C)[NH3+])CC2 ZINC001235632117 806479342 /nfs/dbraw/zinc/47/93/42/806479342.db2.gz JDCFBYLKMCHVNB-KGLIPLIRSA-N 2 2 297.443 0.931 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCC[C@]2(CCC[NH+](CC(=O)N(C)C)C2)C1 ZINC001277959048 806480534 /nfs/dbraw/zinc/48/05/34/806480534.db2.gz PWBLLCZSKYWWGX-ZBFHGGJFSA-N 2 2 297.443 0.633 20 0 CCADLP C[C@@H](O)C[N@H+]1CCC[C@]2(CCC[NH+](CC(=O)N(C)C)C2)C1 ZINC001277959048 806480540 /nfs/dbraw/zinc/48/05/40/806480540.db2.gz PWBLLCZSKYWWGX-ZBFHGGJFSA-N 2 2 297.443 0.633 20 0 CCADLP C[C@@H](O)C[NH+]1CCC[C@]2(CCC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001277959048 806480544 /nfs/dbraw/zinc/48/05/44/806480544.db2.gz PWBLLCZSKYWWGX-ZBFHGGJFSA-N 2 2 297.443 0.633 20 0 CCADLP C[C@@H](O)C[NH+]1CCC[C@]2(CCC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001277959048 806480547 /nfs/dbraw/zinc/48/05/47/806480547.db2.gz PWBLLCZSKYWWGX-ZBFHGGJFSA-N 2 2 297.443 0.633 20 0 CCADLP C[N@H+](C1COC1)C1CN(C[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC001235892540 806514826 /nfs/dbraw/zinc/51/48/26/806514826.db2.gz OSFJXLGSLPWJPY-HNNXBMFYSA-N 2 2 287.407 0.716 20 0 CCADLP C[N@@H+](C1COC1)C1CN(C[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC001235892540 806514827 /nfs/dbraw/zinc/51/48/27/806514827.db2.gz OSFJXLGSLPWJPY-HNNXBMFYSA-N 2 2 287.407 0.716 20 0 CCADLP C[C@H]1C[NH2+]CC(F)(F)[C@H]1CN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC001235911182 806514904 /nfs/dbraw/zinc/51/49/04/806514904.db2.gz OPMMDOPYNDSEMJ-UKKRHICBSA-N 2 2 265.323 0.848 20 0 CCADLP Cn1nnc2cc(C[N@@H+]3C[C@@H]4CC[C@@]4([NH3+])C3)ccc21 ZINC001235990445 806523282 /nfs/dbraw/zinc/52/32/82/806523282.db2.gz MYSXMMJOTLCHNI-SMDDNHRTSA-N 2 2 257.341 0.891 20 0 CCADLP Cn1nnc2cc(C[N@H+]3C[C@@H]4CC[C@@]4([NH3+])C3)ccc21 ZINC001235990445 806523290 /nfs/dbraw/zinc/52/32/90/806523290.db2.gz MYSXMMJOTLCHNI-SMDDNHRTSA-N 2 2 257.341 0.891 20 0 CCADLP COc1ccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])nc1 ZINC001235999147 806527161 /nfs/dbraw/zinc/52/71/61/806527161.db2.gz WWBDTVSWDCZZMK-BVUQATHDSA-N 2 2 263.341 0.496 20 0 CCADLP COc1ccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])nc1 ZINC001235999147 806527168 /nfs/dbraw/zinc/52/71/68/806527168.db2.gz WWBDTVSWDCZZMK-BVUQATHDSA-N 2 2 263.341 0.496 20 0 CCADLP C1CC2(CC[NH2+]1)CCC([NH2+][C@@H]1C[NH2+]CCOC1)CC2 ZINC001246091591 807151738 /nfs/dbraw/zinc/15/17/38/807151738.db2.gz FAQDEBKSYMCIJM-CQSZACIVSA-N 3 2 267.417 0.877 20 0 CCADLP C[NH+](C)CCN1CCCC2(CC[NH+](CC(N)=O)CC2)C1 ZINC001277981973 806588039 /nfs/dbraw/zinc/58/80/39/806588039.db2.gz RCPSYLZWKIQRKZ-UHFFFAOYSA-N 2 2 282.432 0.211 20 0 CCADLP C[C@@H](CN(C)C(=O)CCc1c[nH+]cn1C)[NH2+]CCCO ZINC001278001552 806606149 /nfs/dbraw/zinc/60/61/49/806606149.db2.gz APRAHZAJLCGKKJ-LBPRGKRZSA-N 2 2 282.388 0.172 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNc1cc[nH+]c(N)n1 ZINC001120945540 798967022 /nfs/dbraw/zinc/96/70/22/798967022.db2.gz DLZKOSBEEXDWID-UHFFFAOYSA-N 2 2 252.366 0.354 20 0 CCADLP CN(CCC[NH+](C)C)CCNc1cc[nH+]c(N)n1 ZINC001120945540 798967033 /nfs/dbraw/zinc/96/70/33/798967033.db2.gz DLZKOSBEEXDWID-UHFFFAOYSA-N 2 2 252.366 0.354 20 0 CCADLP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@@H](C(N)=O)n3nccc3C2)C1 ZINC001278143772 806716050 /nfs/dbraw/zinc/71/60/50/806716050.db2.gz VEOPJELGHQMCNR-JSGCOSHPSA-N 2 2 291.399 0.457 20 0 CCADLP C[N@H+]1CCC[C@H](C[NH+]2CC[C@@H](C(N)=O)n3nccc3C2)C1 ZINC001278143772 806716055 /nfs/dbraw/zinc/71/60/55/806716055.db2.gz VEOPJELGHQMCNR-JSGCOSHPSA-N 2 2 291.399 0.457 20 0 CCADLP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@@H](C(N)=O)n3nccc3C2)C1 ZINC001278143772 806716061 /nfs/dbraw/zinc/71/60/61/806716061.db2.gz VEOPJELGHQMCNR-JSGCOSHPSA-N 2 2 291.399 0.457 20 0 CCADLP C[NH+]1CCC[C@H](C[N@H+]2CC[C@@H](C(N)=O)n3nccc3C2)C1 ZINC001278143772 806716063 /nfs/dbraw/zinc/71/60/63/806716063.db2.gz VEOPJELGHQMCNR-JSGCOSHPSA-N 2 2 291.399 0.457 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001121998664 799117979 /nfs/dbraw/zinc/11/79/79/799117979.db2.gz FFIODCPKYOMGSJ-JLLWLGSASA-N 2 2 262.357 0.688 20 0 CCADLP CC[C@H](C(=O)NCC1C[NH2+]C1)[N@@H+]1CCO[C@@H](CC)C1 ZINC001122010657 799120940 /nfs/dbraw/zinc/12/09/40/799120940.db2.gz VKUWNVBPSUCTOX-QWHCGFSZSA-N 2 2 269.389 0.211 20 0 CCADLP CC[C@H](C(=O)NCC1C[NH2+]C1)[N@H+]1CCO[C@@H](CC)C1 ZINC001122010657 799120944 /nfs/dbraw/zinc/12/09/44/799120944.db2.gz VKUWNVBPSUCTOX-QWHCGFSZSA-N 2 2 269.389 0.211 20 0 CCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC001122108485 799145879 /nfs/dbraw/zinc/14/58/79/799145879.db2.gz POGCFMGXEMIRCT-BNOWGMLFSA-N 2 2 259.353 0.884 20 0 CCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC001122108485 799145884 /nfs/dbraw/zinc/14/58/84/799145884.db2.gz POGCFMGXEMIRCT-BNOWGMLFSA-N 2 2 259.353 0.884 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001122113807 799147529 /nfs/dbraw/zinc/14/75/29/799147529.db2.gz DYKXJFRIYKKUTI-LLVKDONJSA-N 2 2 259.313 0.176 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[NH2+][C@H]1C ZINC001122174752 799161411 /nfs/dbraw/zinc/16/14/11/799161411.db2.gz UDCATAJXNJCWFA-XQQFMLRXSA-N 2 2 269.389 0.211 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC001122175548 799162124 /nfs/dbraw/zinc/16/21/24/799162124.db2.gz ZPGOVIHZJMGPHF-NEPJUHHUSA-N 2 2 257.378 0.211 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC001122615523 799273743 /nfs/dbraw/zinc/27/37/43/799273743.db2.gz QGQUHPJHSRPWJS-WCQYABFASA-N 2 2 267.373 0.213 20 0 CCADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@H](O)CO ZINC001139358536 799806560 /nfs/dbraw/zinc/80/65/60/799806560.db2.gz PJHJKTMQBOOKDL-AWEZNQCLSA-N 2 2 261.325 0.657 20 0 CCADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@H](O)CO ZINC001139358536 799806566 /nfs/dbraw/zinc/80/65/66/799806566.db2.gz PJHJKTMQBOOKDL-AWEZNQCLSA-N 2 2 261.325 0.657 20 0 CCADLP O=C(NCCC[NH2+]CC1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001161209284 799980738 /nfs/dbraw/zinc/98/07/38/799980738.db2.gz GJOYZGPYKOKEAM-CYBMUJFWSA-N 2 2 276.384 0.951 20 0 CCADLP NC(=O)COc1ccc(C[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000841033562 800066970 /nfs/dbraw/zinc/06/69/70/800066970.db2.gz VJWCETZDALNMFE-CYBMUJFWSA-N 2 2 277.368 0.782 20 0 CCADLP CC(C)[N@@H+]1CCCO[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001149828554 800301229 /nfs/dbraw/zinc/30/12/29/800301229.db2.gz SYEOIISDWNRJSL-AWEZNQCLSA-N 2 2 294.399 0.958 20 0 CCADLP CC(C)[N@H+]1CCCO[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001149828554 800301235 /nfs/dbraw/zinc/30/12/35/800301235.db2.gz SYEOIISDWNRJSL-AWEZNQCLSA-N 2 2 294.399 0.958 20 0 CCADLP CC(C)[N@@H+]1CCCO[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001149828554 800301238 /nfs/dbraw/zinc/30/12/38/800301238.db2.gz SYEOIISDWNRJSL-AWEZNQCLSA-N 2 2 294.399 0.958 20 0 CCADLP CC(C)[N@H+]1CCCO[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001149828554 800301243 /nfs/dbraw/zinc/30/12/43/800301243.db2.gz SYEOIISDWNRJSL-AWEZNQCLSA-N 2 2 294.399 0.958 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001151049556 800388858 /nfs/dbraw/zinc/38/88/58/800388858.db2.gz RSHYKJADTKQRKF-NSHDSACASA-N 2 2 280.372 0.395 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001151049556 800388865 /nfs/dbraw/zinc/38/88/65/800388865.db2.gz RSHYKJADTKQRKF-NSHDSACASA-N 2 2 280.372 0.395 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)Cn2cc[nH+]c2C)[nH]1 ZINC001151121344 800401266 /nfs/dbraw/zinc/40/12/66/800401266.db2.gz FYFFDOJWQHDWDY-SECBINFHSA-N 2 2 291.359 0.085 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NCC[NH2+]Cc1nncs1 ZINC001152433056 800521682 /nfs/dbraw/zinc/52/16/82/800521682.db2.gz SDTZATARVWNYLG-UHFFFAOYSA-N 2 2 271.390 0.084 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]Cc1nncs1 ZINC001152433056 800521683 /nfs/dbraw/zinc/52/16/83/800521683.db2.gz SDTZATARVWNYLG-UHFFFAOYSA-N 2 2 271.390 0.084 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1nonc1C ZINC001152446070 800522603 /nfs/dbraw/zinc/52/26/03/800522603.db2.gz SOCHEEHMIJFHCC-ZDUSSCGKSA-N 2 2 295.387 0.458 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1nonc1C ZINC001152446070 800522606 /nfs/dbraw/zinc/52/26/06/800522606.db2.gz SOCHEEHMIJFHCC-ZDUSSCGKSA-N 2 2 295.387 0.458 20 0 CCADLP F[C@@H]1C[NH2+][C@H](CNc2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001155030186 800893244 /nfs/dbraw/zinc/89/32/44/800893244.db2.gz OMPLZKFQEIBIGS-QWRGUYRKSA-N 2 2 281.335 0.425 20 0 CCADLP CCN(CC)c1cc(NC[C@@]23C[NH2+][C@@H](CO2)C3)[nH+]cn1 ZINC001155543702 801003524 /nfs/dbraw/zinc/00/35/24/801003524.db2.gz OGCCLESKILWTIB-BXUZGUMPSA-N 2 2 277.372 0.866 20 0 CCADLP CCN(CC)c1cc(NC[C@@]23C[NH2+][C@@H](CO2)C3)nc[nH+]1 ZINC001155543702 801003529 /nfs/dbraw/zinc/00/35/29/801003529.db2.gz OGCCLESKILWTIB-BXUZGUMPSA-N 2 2 277.372 0.866 20 0 CCADLP Cc1nc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)c(C)c(C)[nH+]1 ZINC001155582096 801016624 /nfs/dbraw/zinc/01/66/24/801016624.db2.gz YREIFDRCZLIYFW-MFKMUULPSA-N 2 2 261.329 0.392 20 0 CCADLP Cc1cc[nH+]c(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)c1C(N)=O ZINC001155617867 801022120 /nfs/dbraw/zinc/02/21/20/801022120.db2.gz BBIUVGHADPCLCT-ABAIWWIYSA-N 2 2 290.367 0.812 20 0 CCADLP COc1cc(NCC2([NH+](C)C)CC[NH+](C)CC2)ncn1 ZINC001156176717 801121497 /nfs/dbraw/zinc/12/14/97/801121497.db2.gz RHOTYNYNHXWTLF-UHFFFAOYSA-N 2 2 279.388 0.923 20 0 CCADLP CN(C)c1ccc(NCC2([NH+](C)C)CC[NH+](C)CC2)nn1 ZINC001156176878 801121980 /nfs/dbraw/zinc/12/19/80/801121980.db2.gz VPJAGKHKWDOAES-UHFFFAOYSA-N 2 2 292.431 0.981 20 0 CCADLP C[C@]1(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CCCCO1 ZINC001206660713 801186657 /nfs/dbraw/zinc/18/66/57/801186657.db2.gz GSQDITHPSFUQMK-DZGCQCFKSA-N 2 2 283.416 0.875 20 0 CCADLP C[C@]1(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CCCCO1 ZINC001206660713 801186662 /nfs/dbraw/zinc/18/66/62/801186662.db2.gz GSQDITHPSFUQMK-DZGCQCFKSA-N 2 2 283.416 0.875 20 0 CCADLP Cc1nonc1C[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157257310 801333558 /nfs/dbraw/zinc/33/35/58/801333558.db2.gz NUMFHDSOPMIBFD-UHFFFAOYSA-N 2 2 292.343 0.330 20 0 CCADLP Cn1cc[nH+]c1CCNC(=O)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001157421262 801377040 /nfs/dbraw/zinc/37/70/40/801377040.db2.gz FSSXZLMFHBJGDJ-ZJUUUORDSA-N 2 2 254.309 0.026 20 0 CCADLP Cn1cc[nH+]c1CCNC(=O)[C@@H]([NH3+])C1Cc2ccccc2C1 ZINC001157424133 801378152 /nfs/dbraw/zinc/37/81/52/801378152.db2.gz WPKUKRHEMNAYLI-INIZCTEOSA-N 2 2 298.390 0.821 20 0 CCADLP Cc1cc(C(N)=O)cc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001157915654 801520623 /nfs/dbraw/zinc/52/06/23/801520623.db2.gz CSOIGDZJJCEGLU-UHFFFAOYSA-N 2 2 276.344 0.083 20 0 CCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)c1ccccc1C[NH3+] ZINC001158006219 801551390 /nfs/dbraw/zinc/55/13/90/801551390.db2.gz JRGRJULEPSFYPF-ZDUSSCGKSA-N 2 2 291.351 0.122 20 0 CCADLP c1nncn1CCNc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001158040144 801558732 /nfs/dbraw/zinc/55/87/32/801558732.db2.gz RIHVQIYGFUPSPD-UHFFFAOYSA-N 2 2 273.344 0.195 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(CC([NH3+])C2)CC1 ZINC001158082675 801568804 /nfs/dbraw/zinc/56/88/04/801568804.db2.gz QAAPJYHAAFOHOQ-GFCCVEGCSA-N 3 2 277.372 0.009 20 0 CCADLP COc1cc(Cl)nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1 ZINC001158204907 801592827 /nfs/dbraw/zinc/59/28/27/801592827.db2.gz UVRWWRFPGIZXIH-MRVPVSSYSA-N 2 2 282.731 0.791 20 0 CCADLP Cc1nnc(Cl)cc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158204239 801593125 /nfs/dbraw/zinc/59/31/25/801593125.db2.gz ONMRAQLDZLPZAM-MRVPVSSYSA-N 2 2 267.720 0.486 20 0 CCADLP CC(C)Oc1ccnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1 ZINC001158206170 801594284 /nfs/dbraw/zinc/59/42/84/801594284.db2.gz AZKUJLACLOWRQN-LLVKDONJSA-N 2 2 276.340 0.917 20 0 CCADLP CSc1cnc(Cl)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158206673 801594955 /nfs/dbraw/zinc/59/49/55/801594955.db2.gz XENCTFKBAQHACA-SSDOTTSWSA-N 2 2 299.787 0.900 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc(-c2ccncc2)ncn1 ZINC001158209201 801596162 /nfs/dbraw/zinc/59/61/62/801596162.db2.gz KUCJMHQRDRYPNV-GFCCVEGCSA-N 2 2 296.334 0.586 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCO ZINC001158745027 801697325 /nfs/dbraw/zinc/69/73/25/801697325.db2.gz ZJMVGDBNMJGWNP-CYBMUJFWSA-N 2 2 294.399 0.268 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCO ZINC001158745027 801697330 /nfs/dbraw/zinc/69/73/30/801697330.db2.gz ZJMVGDBNMJGWNP-CYBMUJFWSA-N 2 2 294.399 0.268 20 0 CCADLP Cc1nc(-n2cncn2)cc(N2CC3(C2)CCC[NH2+]C3)[nH+]1 ZINC001159025020 801742737 /nfs/dbraw/zinc/74/27/37/801742737.db2.gz JEWWRROFWLYZKN-UHFFFAOYSA-N 2 2 285.355 0.556 20 0 CCADLP Cc1nc(-n2cncn2)cc(N2CCC3(C[NH2+]C3)CC2)[nH+]1 ZINC001159049503 801751408 /nfs/dbraw/zinc/75/14/08/801751408.db2.gz JCKUKSDUJGRVGB-UHFFFAOYSA-N 2 2 285.355 0.556 20 0 CCADLP COC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160336795 801929771 /nfs/dbraw/zinc/92/97/71/801929771.db2.gz MREAXXFHOLKAGQ-QJPTWQEYSA-N 2 2 280.372 0.644 20 0 CCADLP COC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160336795 801929777 /nfs/dbraw/zinc/92/97/77/801929777.db2.gz MREAXXFHOLKAGQ-QJPTWQEYSA-N 2 2 280.372 0.644 20 0 CCADLP O=C(NCCC[NH2+]CCF)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160327423 801930167 /nfs/dbraw/zinc/93/01/67/801930167.db2.gz YYMZMLCKNQTWOL-NXEZZACHSA-N 2 2 254.309 0.579 20 0 CCADLP O=C(NCCC[NH2+]CCF)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160327423 801930172 /nfs/dbraw/zinc/93/01/72/801930172.db2.gz YYMZMLCKNQTWOL-NXEZZACHSA-N 2 2 254.309 0.579 20 0 CCADLP CC[NH+](CC)C1CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC1 ZINC001160484167 801948935 /nfs/dbraw/zinc/94/89/35/801948935.db2.gz ZJVFWLNRCPBAMM-FMKPAKJESA-N 3 2 294.443 0.541 20 0 CCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CC(Oc2ccccc2)C1 ZINC001160500164 801952265 /nfs/dbraw/zinc/95/22/65/801952265.db2.gz PJFPKEYCXMMCBK-TUKIKUTGSA-N 2 2 287.363 0.226 20 0 CCADLP CC(C)C[C@H](C(=O)NCCC[NH2+]CCO)n1cc[nH+]c1 ZINC001160535211 801963902 /nfs/dbraw/zinc/96/39/02/801963902.db2.gz XYBJKKJWFXGMAP-CYBMUJFWSA-N 2 2 282.388 0.559 20 0 CCADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)Nc1cc(N)c(C)c[nH+]1 ZINC001160695926 802005420 /nfs/dbraw/zinc/00/54/20/802005420.db2.gz JADKKWRMGOGDNK-GFCCVEGCSA-N 2 2 289.339 0.902 20 0 CCADLP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001161049188 802075781 /nfs/dbraw/zinc/07/57/81/802075781.db2.gz CUZJWSQNBYSMMK-JLNYLFASSA-N 3 2 280.416 0.149 20 0 CCADLP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001161049188 802075789 /nfs/dbraw/zinc/07/57/89/802075789.db2.gz CUZJWSQNBYSMMK-JLNYLFASSA-N 3 2 280.416 0.149 20 0 CCADLP CCN(C(=O)[C@@]1(C)CC(C)(C)C[NH2+]1)C1C[NH+](C)C1 ZINC001161138163 802097972 /nfs/dbraw/zinc/09/79/72/802097972.db2.gz OJMZEOQHCVQEPV-CQSZACIVSA-N 2 2 253.390 0.927 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)C[C@@H]([NH3+])C(C)(C)C ZINC001161236104 802113792 /nfs/dbraw/zinc/11/37/92/802113792.db2.gz AWUNIVPAJLZYEY-WDEREUQCSA-N 2 2 285.388 0.066 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)C[C@@H]([NH3+])C(C)(C)C ZINC001161236104 802113793 /nfs/dbraw/zinc/11/37/93/802113793.db2.gz AWUNIVPAJLZYEY-WDEREUQCSA-N 2 2 285.388 0.066 20 0 CCADLP O=C(NCCC[NH2+]CCCF)[C@@H]1CCc2[nH+]ccn2C1 ZINC001161301655 802122745 /nfs/dbraw/zinc/12/27/45/802122745.db2.gz VNKNURUKNRDLRL-GFCCVEGCSA-N 2 2 282.363 0.901 20 0 CCADLP O=C(NCCC[NH2+]CC1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001161316870 802124686 /nfs/dbraw/zinc/12/46/86/802124686.db2.gz YQLDNWULWRSCKM-CYBMUJFWSA-N 2 2 276.384 0.951 20 0 CCADLP COC[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001161315963 802125820 /nfs/dbraw/zinc/12/58/20/802125820.db2.gz SSDXGJCTGRJQBQ-OLZOCXBDSA-N 2 2 294.399 0.576 20 0 CCADLP O=C(CNc1[nH+]cccc1N1CC[NH2+]CC1)NC1CC1 ZINC001161892625 802239966 /nfs/dbraw/zinc/23/99/66/802239966.db2.gz QWEAMPXBTKDOQB-UHFFFAOYSA-N 2 2 275.356 0.182 20 0 CCADLP NC(=O)c1c[nH]c2nc[nH+]c(N[C@@H]3CCC[C@@H]([NH3+])C3)c12 ZINC001162396826 802334655 /nfs/dbraw/zinc/33/46/55/802334655.db2.gz OAXNLUVFFRKCFR-HTQZYQBOSA-N 2 2 274.328 0.739 20 0 CCADLP COCC[NH2+]CCCNC(=O)CCc1[nH+]ccn1C ZINC001163044323 802467315 /nfs/dbraw/zinc/46/73/15/802467315.db2.gz USXBZFQLYPGOMJ-UHFFFAOYSA-N 2 2 268.361 0.095 20 0 CCADLP c1cc(NC[C@@]23C[NH2+][C@@H](CO2)C3)[nH+]cc1N1CCOCC1 ZINC001163192828 802504328 /nfs/dbraw/zinc/50/43/28/802504328.db2.gz FFFXMTRTHQBGPF-IUODEOHRSA-N 2 2 290.367 0.461 20 0 CCADLP Fc1c[nH+]ccc1N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163325702 802534098 /nfs/dbraw/zinc/53/40/98/802534098.db2.gz XISKEAIWGRPJDD-MFKMUULPSA-N 2 2 251.305 0.966 20 0 CCADLP COCCCC[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163594234 802574194 /nfs/dbraw/zinc/57/41/94/802574194.db2.gz SFHDOCGMTLAQHL-UHFFFAOYSA-N 2 2 282.388 0.796 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCC[NH2+]CCn1cccn1 ZINC001163594494 802576129 /nfs/dbraw/zinc/57/61/29/802576129.db2.gz ZZCLCGDFFRBUHX-UHFFFAOYSA-N 2 2 290.371 0.266 20 0 CCADLP CN(c1ccc(Cn2cc[nH+]c2)cn1)S(=O)(=O)CC[NH3+] ZINC001164292117 802709486 /nfs/dbraw/zinc/70/94/86/802709486.db2.gz DBXBRIXIYBWAGD-UHFFFAOYSA-N 2 2 295.368 0.051 20 0 CCADLP O=C(CNc1[nH+]cccc1N1CC[NH2+]CC1)N1CCCC1 ZINC001164574121 802768587 /nfs/dbraw/zinc/76/85/87/802768587.db2.gz YBDJNMCCICLDCT-UHFFFAOYSA-N 2 2 289.383 0.526 20 0 CCADLP Cc1c[nH+]c(N2CCO[C@@H](C[NH3+])C2)nc1NC(C)C ZINC001166938460 802986193 /nfs/dbraw/zinc/98/61/93/802986193.db2.gz ZKAQFENPWWTNRC-NSHDSACASA-N 2 2 265.361 0.769 20 0 CCADLP CN(CC1COC1)c1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001166950339 802991037 /nfs/dbraw/zinc/99/10/37/802991037.db2.gz SHXUUUBRXISHSK-UHFFFAOYSA-N 2 2 262.357 0.574 20 0 CCADLP [NH3+]Cc1ncc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000720263068 803051785 /nfs/dbraw/zinc/05/17/85/803051785.db2.gz SZPAQCKGRGBMGE-MRVPVSSYSA-N 2 2 266.370 0.568 20 0 CCADLP [NH3+]Cc1ncc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000720263068 803051793 /nfs/dbraw/zinc/05/17/93/803051793.db2.gz SZPAQCKGRGBMGE-MRVPVSSYSA-N 2 2 266.370 0.568 20 0 CCADLP CCC[NH+]1CC([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001276440135 803064076 /nfs/dbraw/zinc/06/40/76/803064076.db2.gz QCNXRDRFNIQMLZ-SNVBAGLBSA-N 2 2 250.346 0.799 20 0 CCADLP COCCOC[N@@H+]1C[C@@H]2CCN(CC[NH+](C)C)[C@@H]2C1 ZINC001276463503 803084838 /nfs/dbraw/zinc/08/48/38/803084838.db2.gz QQQVRLBZEJROOW-UONOGXRCSA-N 2 2 271.405 0.175 20 0 CCADLP COCCOC[N@H+]1C[C@@H]2CCN(CC[NH+](C)C)[C@@H]2C1 ZINC001276463503 803084841 /nfs/dbraw/zinc/08/48/41/803084841.db2.gz QQQVRLBZEJROOW-UONOGXRCSA-N 2 2 271.405 0.175 20 0 CCADLP Cn1ccnc1C[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001205126593 803119654 /nfs/dbraw/zinc/11/96/54/803119654.db2.gz KHGWEMQQQXAVQM-UONOGXRCSA-N 2 2 277.416 0.630 20 0 CCADLP Cn1ccnc1C[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001205126593 803119656 /nfs/dbraw/zinc/11/96/56/803119656.db2.gz KHGWEMQQQXAVQM-UONOGXRCSA-N 2 2 277.416 0.630 20 0 CCADLP C[C@H]1C[N@H+](Cc2cn(-c3cnccn3)cn2)C[C@H]1C[NH3+] ZINC001205156462 803122287 /nfs/dbraw/zinc/12/22/87/803122287.db2.gz XLKPJFATFJZTRX-NWDGAFQWSA-N 2 2 272.356 0.689 20 0 CCADLP C[C@H]1C[N@@H+](Cc2cn(-c3cnccn3)cn2)C[C@H]1C[NH3+] ZINC001205156462 803122288 /nfs/dbraw/zinc/12/22/88/803122288.db2.gz XLKPJFATFJZTRX-NWDGAFQWSA-N 2 2 272.356 0.689 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2cc(F)ccn2)C1 ZINC001205690126 803155992 /nfs/dbraw/zinc/15/59/92/803155992.db2.gz SWOKQNPARVSYCT-ZDUSSCGKSA-N 2 2 253.321 0.896 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2cc(F)ccn2)C1 ZINC001205690126 803155994 /nfs/dbraw/zinc/15/59/94/803155994.db2.gz SWOKQNPARVSYCT-ZDUSSCGKSA-N 2 2 253.321 0.896 20 0 CCADLP Cc1ncc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)o1 ZINC001276484016 803164129 /nfs/dbraw/zinc/16/41/29/803164129.db2.gz DMBXQQBISASMCY-OKILXGFUSA-N 2 2 294.399 0.430 20 0 CCADLP Cc1ncc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)o1 ZINC001276484016 803164133 /nfs/dbraw/zinc/16/41/33/803164133.db2.gz DMBXQQBISASMCY-OKILXGFUSA-N 2 2 294.399 0.430 20 0 CCADLP CCOc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)ccc1O ZINC001205946684 803189340 /nfs/dbraw/zinc/18/93/40/803189340.db2.gz OZHJTBPMLFEPDP-DGCLKSJQSA-N 2 2 266.341 0.685 20 0 CCADLP CCOc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)ccc1O ZINC001205946684 803189345 /nfs/dbraw/zinc/18/93/45/803189345.db2.gz OZHJTBPMLFEPDP-DGCLKSJQSA-N 2 2 266.341 0.685 20 0 CCADLP CCC(=O)Oc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001205952820 803190285 /nfs/dbraw/zinc/19/02/85/803190285.db2.gz BNRLLQZLCSBTBM-ZIAGYGMSSA-N 2 2 278.352 0.896 20 0 CCADLP CCC(=O)Oc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001205952820 803190291 /nfs/dbraw/zinc/19/02/91/803190291.db2.gz BNRLLQZLCSBTBM-ZIAGYGMSSA-N 2 2 278.352 0.896 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](Cc2cncc3cnccc32)C[C@H]1O ZINC001205966953 803192949 /nfs/dbraw/zinc/19/29/49/803192949.db2.gz FJDJXOCQPGDXFR-ZIAGYGMSSA-N 2 2 258.325 0.524 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](Cc2cncc3cnccc32)C[C@H]1O ZINC001205966953 803192953 /nfs/dbraw/zinc/19/29/53/803192953.db2.gz FJDJXOCQPGDXFR-ZIAGYGMSSA-N 2 2 258.325 0.524 20 0 CCADLP [NH3+]C[C@H](O)Cc1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001206019839 803197410 /nfs/dbraw/zinc/19/74/10/803197410.db2.gz YJZYOOGRDXZLAV-SNVBAGLBSA-N 2 2 285.307 0.784 20 0 CCADLP C[C@@H]1C[N@H+](Cc2cccc(N3CC[NH2+]CC3)c2)C[C@H]1[NH3+] ZINC001206065238 803201048 /nfs/dbraw/zinc/20/10/48/803201048.db2.gz QVPNEJQGTDJJAO-CZUORRHYSA-N 3 2 274.412 0.875 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2cccc(N3CC[NH2+]CC3)c2)C[C@H]1[NH3+] ZINC001206065238 803201053 /nfs/dbraw/zinc/20/10/53/803201053.db2.gz QVPNEJQGTDJJAO-CZUORRHYSA-N 3 2 274.412 0.875 20 0 CCADLP [NH3+][C@H]1CC[N@H+](Cc2ccc3n2CC[NH2+]C3)CC[C@H]1F ZINC001206172761 803212759 /nfs/dbraw/zinc/21/27/59/803212759.db2.gz BUMSGKKWVOHBMY-KGLIPLIRSA-N 3 2 266.364 0.853 20 0 CCADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc3n2CC[NH2+]C3)CC[C@H]1F ZINC001206172761 803212760 /nfs/dbraw/zinc/21/27/60/803212760.db2.gz BUMSGKKWVOHBMY-KGLIPLIRSA-N 3 2 266.364 0.853 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](CCc2cc(F)cc(F)c2)C[C@H]1O ZINC001206464127 803246312 /nfs/dbraw/zinc/24/63/12/803246312.db2.gz KMDHOYVPYAAZMF-GXFFZTMASA-N 2 2 256.296 0.759 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CCc2cc(F)cc(F)c2)C[C@H]1O ZINC001206464127 803246317 /nfs/dbraw/zinc/24/63/17/803246317.db2.gz KMDHOYVPYAAZMF-GXFFZTMASA-N 2 2 256.296 0.759 20 0 CCADLP Cc1ccc2ncc(C[N@@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)n2c1 ZINC001206463705 803246657 /nfs/dbraw/zinc/24/66/57/803246657.db2.gz CCYMPTWWLWZQTL-WCQYABFASA-N 2 2 260.341 0.394 20 0 CCADLP Cc1ccc2ncc(C[N@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)n2c1 ZINC001206463705 803246663 /nfs/dbraw/zinc/24/66/63/803246663.db2.gz CCYMPTWWLWZQTL-WCQYABFASA-N 2 2 260.341 0.394 20 0 CCADLP Cc1ccc2[nH+]cc(CN3C[C@@H](O)[C@@H](C[NH3+])C3)n2c1 ZINC001206463705 803246666 /nfs/dbraw/zinc/24/66/66/803246666.db2.gz CCYMPTWWLWZQTL-WCQYABFASA-N 2 2 260.341 0.394 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2c[nH]c3cnc(Cl)cc23)C[C@@H]1O ZINC001206530619 803261982 /nfs/dbraw/zinc/26/19/82/803261982.db2.gz NATMGWILKUGSNU-UFBFGSQYSA-N 2 2 280.759 0.968 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2c[nH]c3cnc(Cl)cc23)C[C@@H]1O ZINC001206530619 803261984 /nfs/dbraw/zinc/26/19/84/803261984.db2.gz NATMGWILKUGSNU-UFBFGSQYSA-N 2 2 280.759 0.968 20 0 CCADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](CC(C)(C)N1CCOCC1)C2 ZINC001207306693 803383290 /nfs/dbraw/zinc/38/32/90/803383290.db2.gz ZVSWTLJVQCGEEM-GDBMZVCRSA-N 2 2 281.444 0.981 20 0 CCADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](CC(C)(C)N1CCOCC1)C2 ZINC001207306693 803383297 /nfs/dbraw/zinc/38/32/97/803383297.db2.gz ZVSWTLJVQCGEEM-GDBMZVCRSA-N 2 2 281.444 0.981 20 0 CCADLP C[NH+](C)C[C@@]12C[C@@H]1CN(CC(C)(C)[NH+]1CCOCC1)C2 ZINC001207306693 803383303 /nfs/dbraw/zinc/38/33/03/803383303.db2.gz ZVSWTLJVQCGEEM-GDBMZVCRSA-N 2 2 281.444 0.981 20 0 CCADLP CO[C@H](C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001207454419 803405659 /nfs/dbraw/zinc/40/56/59/803405659.db2.gz WPMXGHIQOGGMTI-YRGRVCCFSA-N 2 2 294.399 0.814 20 0 CCADLP CO[C@H](C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001207454419 803405661 /nfs/dbraw/zinc/40/56/61/803405661.db2.gz WPMXGHIQOGGMTI-YRGRVCCFSA-N 2 2 294.399 0.814 20 0 CCADLP CO[C@H](C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001207454419 803405664 /nfs/dbraw/zinc/40/56/64/803405664.db2.gz WPMXGHIQOGGMTI-YRGRVCCFSA-N 2 2 294.399 0.814 20 0 CCADLP CO[C@H](C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001207454419 803405665 /nfs/dbraw/zinc/40/56/65/803405665.db2.gz WPMXGHIQOGGMTI-YRGRVCCFSA-N 2 2 294.399 0.814 20 0 CCADLP C[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207567863 803421637 /nfs/dbraw/zinc/42/16/37/803421637.db2.gz CZIVHQKYVHWGHA-DGCLKSJQSA-N 2 2 271.380 0.877 20 0 CCADLP C[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001207567863 803421633 /nfs/dbraw/zinc/42/16/33/803421633.db2.gz CZIVHQKYVHWGHA-DGCLKSJQSA-N 2 2 271.380 0.877 20 0 CCADLP C[C@@H]1C[NH+](CCF)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001207567863 803421640 /nfs/dbraw/zinc/42/16/40/803421640.db2.gz CZIVHQKYVHWGHA-DGCLKSJQSA-N 2 2 271.380 0.877 20 0 CCADLP C[C@@H]1C[NH+](CCF)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001207567863 803421644 /nfs/dbraw/zinc/42/16/44/803421644.db2.gz CZIVHQKYVHWGHA-DGCLKSJQSA-N 2 2 271.380 0.877 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001208300272 803503474 /nfs/dbraw/zinc/50/34/74/803503474.db2.gz XROCATSGOLEOPZ-JSGCOSHPSA-N 2 2 294.399 0.958 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001208300272 803503477 /nfs/dbraw/zinc/50/34/77/803503477.db2.gz XROCATSGOLEOPZ-JSGCOSHPSA-N 2 2 294.399 0.958 20 0 CCADLP CC[NH+]1CCC(CN2CC[NH+](CCCO)CC2)CC1 ZINC001208593251 803524705 /nfs/dbraw/zinc/52/47/05/803524705.db2.gz RLZUMLGOWAQVEI-UHFFFAOYSA-N 2 2 269.433 0.718 20 0 CCADLP COCC[NH2+][C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001208681054 803536483 /nfs/dbraw/zinc/53/64/83/803536483.db2.gz ZKWRSCAMRBDCPI-ZDUSSCGKSA-N 2 2 294.399 0.580 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCC[C@@H]([NH2+]CCCO)C1 ZINC001208849076 803549852 /nfs/dbraw/zinc/54/98/52/803549852.db2.gz PGBCZJBORUYUDW-CYBMUJFWSA-N 2 2 280.372 0.236 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H](C[NH2+]CCF)C1CC1 ZINC001276595311 803550425 /nfs/dbraw/zinc/55/04/25/803550425.db2.gz MWVOBUUXORTRID-LBPRGKRZSA-N 2 2 268.336 0.796 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H](C[NH2+]CCF)C1CC1 ZINC001276595311 803550429 /nfs/dbraw/zinc/55/04/29/803550429.db2.gz MWVOBUUXORTRID-LBPRGKRZSA-N 2 2 268.336 0.796 20 0 CCADLP C[C@@H](CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1C)n1cc[nH+]c1 ZINC001208995455 803562587 /nfs/dbraw/zinc/56/25/87/803562587.db2.gz JFNGMHPVLGLIRI-HZSPNIEDSA-N 2 2 294.399 0.653 20 0 CCADLP C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1C)n1cc[nH+]c1 ZINC001208995455 803562590 /nfs/dbraw/zinc/56/25/90/803562590.db2.gz JFNGMHPVLGLIRI-HZSPNIEDSA-N 2 2 294.399 0.653 20 0 CCADLP Cc1nnc(C[NH2+][C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)o1 ZINC001209446749 803604155 /nfs/dbraw/zinc/60/41/55/803604155.db2.gz UUXYRLRPMKISJE-GFCCVEGCSA-N 2 2 295.387 0.410 20 0 CCADLP C[NH+](C)CCN1CC[NH+](Cc2cncs2)CC1 ZINC001209544667 803610862 /nfs/dbraw/zinc/61/08/62/803610862.db2.gz FGONDBZNKMRBKS-UHFFFAOYSA-N 2 2 254.403 0.822 20 0 CCADLP Cc1n[nH]cc1C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001209562387 803613312 /nfs/dbraw/zinc/61/33/12/803613312.db2.gz VFZVZVKJCHMYLI-CYBMUJFWSA-N 2 2 279.388 0.360 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209835991 803632103 /nfs/dbraw/zinc/63/21/03/803632103.db2.gz HIMRXZTZCPTRNP-VXGBXAGGSA-N 2 2 280.372 0.568 20 0 CCADLP COCCC[NH2+][C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001210302407 803647054 /nfs/dbraw/zinc/64/70/54/803647054.db2.gz BAYUXOIUERNUOE-LBPRGKRZSA-N 2 2 280.372 0.569 20 0 CCADLP C[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCO)C1)n1cc[nH+]c1 ZINC001215710368 803825316 /nfs/dbraw/zinc/82/53/16/803825316.db2.gz ULLZJXJGAXNLPE-MGPQQGTHSA-N 2 2 294.399 0.653 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404270534 803849412 /nfs/dbraw/zinc/84/94/12/803849412.db2.gz KGQHVPOWLBXCTG-SOUVJXGZSA-N 3 2 287.448 0.375 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404270534 803849425 /nfs/dbraw/zinc/84/94/25/803849425.db2.gz KGQHVPOWLBXCTG-SOUVJXGZSA-N 3 2 287.448 0.375 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404270534 803849435 /nfs/dbraw/zinc/84/94/35/803849435.db2.gz KGQHVPOWLBXCTG-SOUVJXGZSA-N 3 2 287.448 0.375 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404270534 803849444 /nfs/dbraw/zinc/84/94/44/803849444.db2.gz KGQHVPOWLBXCTG-SOUVJXGZSA-N 3 2 287.448 0.375 20 0 CCADLP C[C@@H]1C[N@@H+](CCc2nnc([C@@H]3C[C@H](O)C[NH2+]3)o2)C[C@H](C)O1 ZINC001217719305 803904660 /nfs/dbraw/zinc/90/46/60/803904660.db2.gz ZBQZVJBDGTWLTG-USZNOCQGSA-N 2 2 296.371 0.117 20 0 CCADLP C[C@@H]1C[N@H+](CCc2nnc([C@@H]3C[C@H](O)C[NH2+]3)o2)C[C@H](C)O1 ZINC001217719305 803904664 /nfs/dbraw/zinc/90/46/64/803904664.db2.gz ZBQZVJBDGTWLTG-USZNOCQGSA-N 2 2 296.371 0.117 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1nc(C(F)(F)F)cs1 ZINC001218516918 803978231 /nfs/dbraw/zinc/97/82/31/803978231.db2.gz DDUKMJYFDSADPY-BYPYZUCNSA-N 2 2 268.264 0.777 20 0 CCADLP COC(=O)c1ccc(NC(=O)C[NH2+]C2CC[NH2+]CC2)cn1 ZINC001218510276 803975642 /nfs/dbraw/zinc/97/56/42/803975642.db2.gz RZGODRBDABRIBO-UHFFFAOYSA-N 2 2 292.339 0.148 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cnc3ccc(Cl)nn23)C1 ZINC001218568136 804013172 /nfs/dbraw/zinc/01/31/72/804013172.db2.gz NKULGNZMKYJOHR-RQJHMYQMSA-N 2 2 280.719 0.010 20 0 CCADLP Cc1cc(C)c(NC(=O)C[NH2+]C2CC[NH2+]CC2)cn1 ZINC001218593405 804026454 /nfs/dbraw/zinc/02/64/54/804026454.db2.gz JXVGWCWBCCKYFQ-UHFFFAOYSA-N 2 2 262.357 0.979 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc2ccccc2oc1=O ZINC001218595384 804028821 /nfs/dbraw/zinc/02/88/21/804028821.db2.gz RSLRKGNBEVQBTJ-UWVGGRQHSA-N 2 2 273.292 0.278 20 0 CCADLP CCNc1ccnc(Cl)c1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218612976 804032937 /nfs/dbraw/zinc/03/29/37/804032937.db2.gz BZEXLUMEEJHTNY-YUMQZZPRSA-N 2 2 283.763 0.652 20 0 CCADLP [NH3+]C1(C(=O)Nc2n[nH]c3c2CCCC3)CC[NH2+]CC1 ZINC001218630670 804046057 /nfs/dbraw/zinc/04/60/57/804046057.db2.gz RNFAPMHBLHSRHZ-UHFFFAOYSA-N 2 2 263.345 0.308 20 0 CCADLP COC(=O)c1cc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)cn1C ZINC001218631895 804048683 /nfs/dbraw/zinc/04/86/83/804048683.db2.gz MXYVZRUQAGACFE-SNVBAGLBSA-N 2 2 291.311 0.043 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cnc(C3CC3)s2)C1 ZINC001218714855 804093532 /nfs/dbraw/zinc/09/35/32/804093532.db2.gz GQKXBUSNQIYDLO-SFYZADRCSA-N 2 2 252.343 0.648 20 0 CCADLP CC(C)(C)c1nc2ccc(NC(=O)[C@@H]([NH3+])CC[NH3+])cn2n1 ZINC001218793255 804122381 /nfs/dbraw/zinc/12/23/81/804122381.db2.gz BEOSVCIADVQSHJ-JTQLQIEISA-N 2 2 290.371 0.641 20 0 CCADLP CC(C)OC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc1 ZINC001218843871 804137210 /nfs/dbraw/zinc/13/72/10/804137210.db2.gz GXOICDPNKHZWAU-YPMHNXCESA-N 2 2 291.351 0.880 20 0 CCADLP N[C@@]1(C(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)CCC[NH2+]C1 ZINC001218848710 804138594 /nfs/dbraw/zinc/13/85/94/804138594.db2.gz QTMJQAVVCRFTOG-INIZCTEOSA-N 2 2 299.378 0.951 20 0 CCADLP CC(C)OC(=O)c1ccc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc1 ZINC001218844783 804138623 /nfs/dbraw/zinc/13/86/23/804138623.db2.gz UNCGKWOVRRXAON-LBPRGKRZSA-N 2 2 279.340 0.866 20 0 CCADLP Cc1cc2c(cccc2NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)nn1 ZINC001218858650 804140894 /nfs/dbraw/zinc/14/08/94/804140894.db2.gz BWJVMSMMJUJPLT-RNCFNFMXSA-N 2 2 271.324 0.566 20 0 CCADLP CC(C)(C[NH3+])c1ccc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc1 ZINC001218896908 804151698 /nfs/dbraw/zinc/15/16/98/804151698.db2.gz CAZDZTQQVXNFPB-LBPRGKRZSA-N 3 2 264.373 0.538 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(C2OCCO2)cc1 ZINC001218910240 804154992 /nfs/dbraw/zinc/15/49/92/804154992.db2.gz GRICFIUFNGMZMC-RYUDHWBXSA-N 2 2 277.324 0.217 20 0 CCADLP [NH3+]C1(C(=O)Nc2ccc3c(c2)CCO3)CC[NH2+]CC1 ZINC001218915771 804156525 /nfs/dbraw/zinc/15/65/25/804156525.db2.gz RJBZJDPLNIRJDZ-UHFFFAOYSA-N 2 2 261.325 0.641 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc2c(c1)CC[NH2+]CC2 ZINC001218935543 804162246 /nfs/dbraw/zinc/16/22/46/804162246.db2.gz HAMVXNVYTHHTRL-HNNXBMFYSA-N 3 2 299.378 0.606 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc(C2([NH3+])CCC2)cc1 ZINC001218972132 804168682 /nfs/dbraw/zinc/16/86/82/804168682.db2.gz IZFAQUPHGKPYFJ-LBPRGKRZSA-N 3 2 262.357 0.639 20 0 CCADLP C[NH+](C)CCc1ccc(NC(=O)C2([NH3+])CC[NH2+]CC2)cc1 ZINC001219022180 804183398 /nfs/dbraw/zinc/18/33/98/804183398.db2.gz DDNVQANLBMWKNS-UHFFFAOYSA-N 3 2 290.411 0.810 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1cccc2c1COC2 ZINC001219109889 804204080 /nfs/dbraw/zinc/20/40/80/804204080.db2.gz GHEPYUPCBHXIGG-UHFFFAOYSA-N 2 2 275.352 0.997 20 0 CCADLP Nc1nc2cc(NC(=O)C3([NH3+])CC[NH2+]CC3)ccc2s1 ZINC001219248232 804247077 /nfs/dbraw/zinc/24/70/77/804247077.db2.gz ZREFIICUYCBRDU-UHFFFAOYSA-N 2 2 291.380 0.898 20 0 CCADLP [NH3+]Cc1ccc(NC(=O)[C@@H](CO)n2cc[nH+]c2)cc1 ZINC001219343791 804279638 /nfs/dbraw/zinc/27/96/38/804279638.db2.gz UCKGOMXLIHYWBS-GFCCVEGCSA-N 2 2 260.297 0.514 20 0 CCADLP COC(Cc1ccc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc1)OC ZINC001219443840 804319056 /nfs/dbraw/zinc/31/90/56/804319056.db2.gz AJRIXAUZDQTGGG-YPMHNXCESA-N 2 2 293.367 0.476 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc2c(c1)OCO2 ZINC001219552078 804342540 /nfs/dbraw/zinc/34/25/40/804342540.db2.gz RHJIAEBOCQJNCO-LLVKDONJSA-N 2 2 288.307 0.325 20 0 CCADLP C[C@@H]([NH3+])c1ncc(C(=O)NCCn2cc[nH+]c2)s1 ZINC001219564077 804352946 /nfs/dbraw/zinc/35/29/46/804352946.db2.gz QOKIDQUMIPOYEO-MRVPVSSYSA-N 2 2 265.342 0.789 20 0 CCADLP C[C@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)c1ccncc1 ZINC001219600394 804368340 /nfs/dbraw/zinc/36/83/40/804368340.db2.gz RTGKHAYHFJDLON-GWCFXTLKSA-N 2 2 273.340 0.562 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NCCN2CCCCO2)cc1 ZINC001219632318 804381980 /nfs/dbraw/zinc/38/19/80/804381980.db2.gz KKQSQNHVKGQSPF-CQSZACIVSA-N 2 2 292.383 0.402 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@]2(C)CC(F)(F)C[NH2+]2)C1 ZINC001219641706 804387665 /nfs/dbraw/zinc/38/76/65/804387665.db2.gz KQUDYXZFFHEJQT-HOSYDEDBSA-N 2 2 275.343 0.736 20 0 CCADLP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000313231962 804388934 /nfs/dbraw/zinc/38/89/34/804388934.db2.gz OGLTUUGTGQWBOW-PWSUYJOCSA-N 2 2 250.346 0.467 20 0 CCADLP Cc1cccc2c1[C@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)CCO2 ZINC001219683382 804403393 /nfs/dbraw/zinc/40/33/93/804403393.db2.gz YVZVATXKOGGABI-UTUOFQBUSA-N 2 2 275.352 0.624 20 0 CCADLP [NH3+]Cc1ncc(C(=O)NCc2noc3c2C[NH2+]CC3)s1 ZINC001219811279 804428344 /nfs/dbraw/zinc/42/83/44/804428344.db2.gz OBIHCCINWFAZFX-UHFFFAOYSA-N 2 2 293.352 0.166 20 0 CCADLP Cc1c[nH]c(CCNC(=O)[C@H]([NH3+])[C@@H](C)OC(C)(C)C)[nH+]1 ZINC001219951851 804456428 /nfs/dbraw/zinc/45/64/28/804456428.db2.gz DYAYXAKGQAHASL-ZYHUDNBSSA-N 2 2 282.388 0.908 20 0 CCADLP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@H]([NH3+])Cc1ccccc1F ZINC001220103214 804501091 /nfs/dbraw/zinc/50/10/91/804501091.db2.gz KNNDWAYCNRMQLZ-GFCCVEGCSA-N 3 2 295.362 0.156 20 0 CCADLP Cn1cc2cccc(CNC(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4[NH2+]3)c2n1 ZINC001220143902 804513615 /nfs/dbraw/zinc/51/36/15/804513615.db2.gz ZPOHTTSNXDFIJX-MELADBBJSA-N 2 2 299.378 0.139 20 0 CCADLP COC1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001220220827 804541325 /nfs/dbraw/zinc/54/13/25/804541325.db2.gz GVCNELKUKIEZTG-NPZBDFSRSA-N 2 2 267.373 0.012 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCc2cccnc21 ZINC001220225879 804542860 /nfs/dbraw/zinc/54/28/60/804542860.db2.gz KSELVCGAMZZMMX-CHWSQXEVSA-N 2 2 285.351 0.868 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@H]1CCCc2cccnc21 ZINC001220224951 804543097 /nfs/dbraw/zinc/54/30/97/804543097.db2.gz BPXFCJJDMWMYHM-KBPBESRZSA-N 2 2 299.378 0.879 20 0 CCADLP CCOC(CCNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)OCC ZINC001220230197 804545093 /nfs/dbraw/zinc/54/50/93/804545093.db2.gz DFOQEAXQJQTBRU-NSHDSACASA-N 2 2 284.360 0.185 20 0 CCADLP Cc1[nH+]c[nH]c1CSCCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001220257371 804553791 /nfs/dbraw/zinc/55/37/91/804553791.db2.gz WQASBHYPNBHMAF-IAZYJMLFSA-N 2 2 280.397 0.533 20 0 CCADLP Cc1ccc([C@H](C)NC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)nc1 ZINC001220266838 804555464 /nfs/dbraw/zinc/55/54/64/804555464.db2.gz WLPUDXFANHKEQZ-HUBLWGQQSA-N 2 2 274.368 0.519 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC001220274489 804558996 /nfs/dbraw/zinc/55/89/96/804558996.db2.gz FAEYOCGGRLAIOV-LBPRGKRZSA-N 2 2 280.372 0.535 20 0 CCADLP [NH3+]CCCCCCCC(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001220291787 804564512 /nfs/dbraw/zinc/56/45/12/804564512.db2.gz XPKWMGGINMUACO-CYBMUJFWSA-N 2 2 282.388 0.729 20 0 CCADLP [NH3+]CCCCCCCC(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001220291787 804564515 /nfs/dbraw/zinc/56/45/15/804564515.db2.gz XPKWMGGINMUACO-CYBMUJFWSA-N 2 2 282.388 0.729 20 0 CCADLP O=C(N[C@@H]1CCCC(F)(F)C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220308806 804569829 /nfs/dbraw/zinc/56/98/29/804569829.db2.gz PNHSQLDOYHVFFW-BREBYQMCSA-N 2 2 273.327 0.632 20 0 CCADLP [NH3+]C1(C(=O)N[C@@H]2CCCC(F)(F)C2)CC[NH2+]CC1 ZINC001220309012 804570055 /nfs/dbraw/zinc/57/00/55/804570055.db2.gz SIPCUDOEHJLSKO-SECBINFHSA-N 2 2 261.316 0.761 20 0 CCADLP CCCCC(=O)[C@H](C)NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220371104 804584157 /nfs/dbraw/zinc/58/41/57/804584157.db2.gz OQANFYJMQCWNKD-WDMOLILDSA-N 2 2 267.373 0.202 20 0 CCADLP CCCCC(=O)[C@H](C)NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220371103 804584855 /nfs/dbraw/zinc/58/48/55/804584855.db2.gz OQANFYJMQCWNKD-MJVIPROJSA-N 2 2 267.373 0.202 20 0 CCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O)[NH+](C)C ZINC001220380124 804590092 /nfs/dbraw/zinc/59/00/92/804590092.db2.gz QXPFSFMFDIWSBX-JXSGWAFGSA-N 2 2 289.807 0.240 20 0 CCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O)[NH+](C)C ZINC001220380124 804590098 /nfs/dbraw/zinc/59/00/98/804590098.db2.gz QXPFSFMFDIWSBX-JXSGWAFGSA-N 2 2 289.807 0.240 20 0 CCADLP O=C(NCOc1ccccc1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220562922 804624553 /nfs/dbraw/zinc/62/45/53/804624553.db2.gz IYUYBHSPTNXJSP-SMDDNHRTSA-N 2 2 261.325 0.091 20 0 CCADLP O=C(N[C@@H]1CNc2ccccc2C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220599216 804636036 /nfs/dbraw/zinc/63/60/36/804636036.db2.gz PNYWHKQSZOOATN-WWGRRREGSA-N 2 2 286.379 0.091 20 0 CCADLP CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220660682 804643943 /nfs/dbraw/zinc/64/39/43/804643943.db2.gz JVXSAYIFTQBZGX-OVKLUEDNSA-N 2 2 295.383 0.056 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])C1CCCCC1 ZINC001220725636 804656918 /nfs/dbraw/zinc/65/69/18/804656918.db2.gz VYGHQLIBUJEHDP-OCCSQVGLSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])C1CCCCC1 ZINC001220725636 804656920 /nfs/dbraw/zinc/65/69/20/804656920.db2.gz VYGHQLIBUJEHDP-OCCSQVGLSA-N 2 2 283.416 0.731 20 0 CCADLP CC1(C)[C@H](O)C[C@@H]1NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220766138 804663125 /nfs/dbraw/zinc/66/31/25/804663125.db2.gz MGVIMQGAZNXDQC-RWMBFGLXSA-N 2 2 277.368 0.534 20 0 CCADLP CC[C@@H](NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)C(F)(F)F ZINC001220945269 804704186 /nfs/dbraw/zinc/70/41/86/804704186.db2.gz XKKHNHGXBAWGHR-RBXMUDONSA-N 2 2 265.279 0.393 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@H]1CCOC(C)(C)C1 ZINC001220953569 804706266 /nfs/dbraw/zinc/70/62/66/804706266.db2.gz RWBXIKPYWGDVJR-AAEUAGOBSA-N 2 2 294.399 0.611 20 0 CCADLP CC(C)CC1(NC(=O)C2([NH3+])CC[NH2+]CC2)CCOCC1 ZINC001221001567 804715085 /nfs/dbraw/zinc/71/50/85/804715085.db2.gz ZYQNMZKVCLJLTB-UHFFFAOYSA-N 2 2 283.416 0.779 20 0 CCADLP CC(C)n1ccc(NC(=O)C[NH2+]C2CC[NH2+]CC2)cc1=O ZINC001221152485 804736712 /nfs/dbraw/zinc/73/67/12/804736712.db2.gz ZHLYFOMOJYLGFH-UHFFFAOYSA-N 2 2 292.383 0.709 20 0 CCADLP [NH3+]C1(C(=O)NCC2(c3ccc(F)cn3)CC2)CC[NH2+]CC1 ZINC001221174762 804740567 /nfs/dbraw/zinc/74/05/67/804740567.db2.gz PONOXFWPOFLUQN-UHFFFAOYSA-N 2 2 292.358 0.449 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cc2ccccn2n1 ZINC001221235260 804752323 /nfs/dbraw/zinc/75/23/23/804752323.db2.gz YFPVQFFIEBEZRQ-CYBMUJFWSA-N 2 2 284.323 0.244 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222099507 804867335 /nfs/dbraw/zinc/86/73/35/804867335.db2.gz YINVCPCGCHSWRA-CHWSQXEVSA-N 2 2 280.372 0.499 20 0 CCADLP Cc1cnc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)nc1 ZINC001222104331 804869459 /nfs/dbraw/zinc/86/94/59/804869459.db2.gz FGFODYRQYUUFTN-UHFFFAOYSA-N 2 2 261.373 0.312 20 0 CCADLP Cc1cnc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)nc1 ZINC001222104331 804869467 /nfs/dbraw/zinc/86/94/67/804869467.db2.gz FGFODYRQYUUFTN-UHFFFAOYSA-N 2 2 261.373 0.312 20 0 CCADLP C[C@H](O)C[NH+]1CCC(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001223420803 804970139 /nfs/dbraw/zinc/97/01/39/804970139.db2.gz XBBXFHTWEMCANE-LBPRGKRZSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](O)C[NH+]1CCC(CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001223420803 804970147 /nfs/dbraw/zinc/97/01/47/804970147.db2.gz XBBXFHTWEMCANE-LBPRGKRZSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC[N@@H+]1CCO ZINC001088679302 815056148 /nfs/dbraw/zinc/05/61/48/815056148.db2.gz LUQBUPNVUJRVRO-DYEKYZERSA-N 2 2 292.383 0.017 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC[N@H+]1CCO ZINC001088679302 815056155 /nfs/dbraw/zinc/05/61/55/815056155.db2.gz LUQBUPNVUJRVRO-DYEKYZERSA-N 2 2 292.383 0.017 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@@H]1C[NH2+]C[C@H](C)C1 ZINC001245994376 807110478 /nfs/dbraw/zinc/11/04/78/807110478.db2.gz RHETXMGLSANCOR-HZSPNIEDSA-N 3 2 257.422 0.524 20 0 CCADLP COc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246008196 807112692 /nfs/dbraw/zinc/11/26/92/807112692.db2.gz CTGWQLLIMUNHQR-CHWSQXEVSA-N 2 2 280.368 0.777 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CCC[NH2+]C1)COc1cccc(F)c1 ZINC001246009848 807113991 /nfs/dbraw/zinc/11/39/91/807113991.db2.gz IBTDUNDKIRORCY-CHWSQXEVSA-N 2 2 268.332 0.907 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CCC[NH2+]C1)COc1ccccc1 ZINC001246012448 807116297 /nfs/dbraw/zinc/11/62/97/807116297.db2.gz ZTXQYVRXTHTDBW-CHWSQXEVSA-N 2 2 250.342 0.768 20 0 CCADLP O[C@@H](COc1ccccc1)C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246025624 807124293 /nfs/dbraw/zinc/12/42/93/807124293.db2.gz LNRASIWQQGMCAV-GDBMZVCRSA-N 2 2 291.395 0.064 20 0 CCADLP O[C@@H](COc1ccccc1)C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246025624 807124297 /nfs/dbraw/zinc/12/42/97/807124297.db2.gz LNRASIWQQGMCAV-GDBMZVCRSA-N 2 2 291.395 0.064 20 0 CCADLP CC1(C[NH3+])C[NH+](C[C@H](O)COc2ccc(F)cc2)C1 ZINC001246037135 807130350 /nfs/dbraw/zinc/13/03/50/807130350.db2.gz TXXDPXPNWSTDLB-LBPRGKRZSA-N 2 2 268.332 0.846 20 0 CCADLP [NH3+][C@]12CC[C@@H]1C[N@H+](C[C@@H](O)COc1ccc(F)cc1)C2 ZINC001246047188 807133726 /nfs/dbraw/zinc/13/37/26/807133726.db2.gz QLGQFDQWDNDHRS-KYOSRNDESA-N 2 2 280.343 0.989 20 0 CCADLP [NH3+][C@]12CC[C@@H]1C[N@@H+](C[C@@H](O)COc1ccc(F)cc1)C2 ZINC001246047188 807133732 /nfs/dbraw/zinc/13/37/32/807133732.db2.gz QLGQFDQWDNDHRS-KYOSRNDESA-N 2 2 280.343 0.989 20 0 CCADLP CC[C@@]1(C(=O)OC)C[C@@H](NCC2([NH3+])CCCC2)C[NH2+]1 ZINC001246074407 807142985 /nfs/dbraw/zinc/14/29/85/807142985.db2.gz CWHMYILIRMDDTR-RISCZKNCSA-N 2 2 269.389 0.531 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@@H]2CCCC[NH2+]C2)C[NH2+]1 ZINC001246092544 807151144 /nfs/dbraw/zinc/15/11/44/807151144.db2.gz SOYZKWSMQKQANV-AGIUHOORSA-N 2 2 283.416 0.790 20 0 CCADLP COC(=O)N1CCC([NH2+][C@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246096857 807152260 /nfs/dbraw/zinc/15/22/60/807152260.db2.gz NCZWZLQBSKWJDX-QWRGUYRKSA-N 2 2 259.325 0.507 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N2C[C@H]([NH3+])Cc3ccccc32)C[NH2+]1 ZINC001246113758 807156976 /nfs/dbraw/zinc/15/69/76/807156976.db2.gz KIEHZEMJZBXLPR-UPJWGTAASA-N 2 2 275.352 0.280 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@@H](N[C@@H]2C[NH2+]CC[C@H]2C)C[NH2+]1 ZINC001246116092 807158872 /nfs/dbraw/zinc/15/88/72/807158872.db2.gz DNZZNYFRHRUPDX-HKUMRIAESA-N 2 2 269.389 0.258 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CC23CC3)CCN1 ZINC001246135169 807162428 /nfs/dbraw/zinc/16/24/28/807162428.db2.gz STYWACYOSOKMNO-WOPDTQHZSA-N 2 2 267.373 0.012 20 0 CCADLP O=C(C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)OCc1ccccc1 ZINC001246177875 807178326 /nfs/dbraw/zinc/17/83/26/807178326.db2.gz KJQWHURBXYMEGU-AWEZNQCLSA-N 2 2 289.379 0.413 20 0 CCADLP OCC[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246229884 807192468 /nfs/dbraw/zinc/19/24/68/807192468.db2.gz MRFMIAUWCJWSOU-PBWFPOADSA-N 3 2 253.390 0.316 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)CN1 ZINC001246226274 807192729 /nfs/dbraw/zinc/19/27/29/807192729.db2.gz CLCXHRNYSJVGNO-XUXIUFHCSA-N 2 2 283.416 0.742 20 0 CCADLP CCC[C@H]([NH2+][C@H]1CCC[NH2+]C1)[C@@H](O)C(=O)NC1CC1 ZINC001246290565 807210275 /nfs/dbraw/zinc/21/02/75/807210275.db2.gz CPBHEAGFRLCYNC-RWMBFGLXSA-N 2 2 269.389 0.136 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001246302224 807214300 /nfs/dbraw/zinc/21/43/00/807214300.db2.gz CCUBAWFRPKNHTE-COPLHBTASA-N 2 2 250.317 0.463 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@@H]1[NH2+][C@H]1CCc2c(F)cccc2C1 ZINC001246312494 807218518 /nfs/dbraw/zinc/21/85/18/807218518.db2.gz XXQREFFZSAYOGL-HUBLWGQQSA-N 2 2 264.344 0.853 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N2c3ccccc3OC[C@@H]2C[NH3+])C[NH2+]1 ZINC001246318930 807221259 /nfs/dbraw/zinc/22/12/59/807221259.db2.gz UKLIPXJMHUNLMO-WOPDTQHZSA-N 2 2 291.351 0.116 20 0 CCADLP NC(=O)c1ccc(OCC[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC001246327101 807222374 /nfs/dbraw/zinc/22/23/74/807222374.db2.gz IBJLZZXODOVFPS-GFCCVEGCSA-N 2 2 263.341 0.506 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CCC2(C)C)CCN1 ZINC001246334013 807225114 /nfs/dbraw/zinc/22/51/14/807225114.db2.gz WQPOQHJFXIHNCW-AGIUHOORSA-N 2 2 283.416 0.648 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Nc2cccc(CC[NH3+])c2)C[NH2+]1 ZINC001246368273 807236345 /nfs/dbraw/zinc/23/63/45/807236345.db2.gz XIQKKXNUNPSWBK-STQMWFEESA-N 2 2 263.341 0.503 20 0 CCADLP C[C@H]1CC[C@H]([NH2+][C@@H]2CCN(c3cnccn3)C2)C[NH2+]1 ZINC001246369552 807236823 /nfs/dbraw/zinc/23/68/23/807236823.db2.gz PYSWOEYVZLTYSJ-RWMBFGLXSA-N 2 2 261.373 0.785 20 0 CCADLP C[NH+](C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@H]2CCCNC2)CC1 ZINC001246395549 807240521 /nfs/dbraw/zinc/24/05/21/807240521.db2.gz MZMXHOCOHZNWAP-IHRRRGAJSA-N 2 2 282.432 0.317 20 0 CCADLP [NH3+]CCNCC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246406823 807244729 /nfs/dbraw/zinc/24/47/29/807244729.db2.gz VDBCTODOHHYQQQ-CABCVRRESA-N 3 2 262.401 0.618 20 0 CCADLP COCCOc1nccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)n1 ZINC001246434181 807250799 /nfs/dbraw/zinc/25/07/99/807250799.db2.gz LZHIBHAWDYXVKF-NWDGAFQWSA-N 2 2 280.372 0.732 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@@H](CC(=O)OC(C)(C)C)C(N)=O)CC[NH2+]1 ZINC001246441372 807251208 /nfs/dbraw/zinc/25/12/08/807251208.db2.gz CSAGMMUBXBLQPW-MXWKQRLJSA-N 2 2 285.388 0.302 20 0 CCADLP [NH3+]Cc1nc2cnccc2n1[C@@H]1CC[NH2+]C2(CNC2)C1 ZINC001246447418 807252961 /nfs/dbraw/zinc/25/29/61/807252961.db2.gz PSPVTZXZAODYNN-SNVBAGLBSA-N 2 2 272.356 0.157 20 0 CCADLP CC[C@@]1(CN[C@H]2C[NH2+][C@H](C(=O)OC)C2)CCC[NH2+]1 ZINC001246456539 807255105 /nfs/dbraw/zinc/25/51/05/807255105.db2.gz MBVZQTZTTPCWNM-MDZLAQPJSA-N 2 2 255.362 0.012 20 0 CCADLP CC[C@]1(N[C@@H]2C[NH2+][C@H](C(=O)OC(C)(C)C)C2)CC[NH2+]C1 ZINC001246466998 807257619 /nfs/dbraw/zinc/25/76/19/807257619.db2.gz YHKXDRMAAIOBJR-HUBLWGQQSA-N 2 2 283.416 0.790 20 0 CCADLP Fc1cc2c(cc1F)CC([NH2+]C[C@@H]1C[NH2+]CCN1)C2 ZINC001246496366 807264679 /nfs/dbraw/zinc/26/46/79/807264679.db2.gz MYGBBOWKZCTWQL-LBPRGKRZSA-N 2 2 267.323 0.583 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@](C)([NH3+])C2)C[C@H]1C(=O)OC ZINC001246526913 807274109 /nfs/dbraw/zinc/27/41/09/807274109.db2.gz COMFTEWSTVYBNE-BLTAXRJOSA-N 2 2 298.383 0.540 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CC[C@](C)([NH3+])C2)C[C@H]1C(=O)OC ZINC001246526913 807274113 /nfs/dbraw/zinc/27/41/13/807274113.db2.gz COMFTEWSTVYBNE-BLTAXRJOSA-N 2 2 298.383 0.540 20 0 CCADLP CCOC(=O)[C@@H]1C[C@@H]([N@@H+]2CC[C@@](C)([NH3+])C2)CCN1 ZINC001246529771 807275568 /nfs/dbraw/zinc/27/55/68/807275568.db2.gz LTPGZHQNRQMRCG-GMXVVIOVSA-N 2 2 255.362 0.093 20 0 CCADLP CCOC(=O)[C@@H]1C[C@@H]([N@H+]2CC[C@@](C)([NH3+])C2)CCN1 ZINC001246529771 807275573 /nfs/dbraw/zinc/27/55/73/807275573.db2.gz LTPGZHQNRQMRCG-GMXVVIOVSA-N 2 2 255.362 0.093 20 0 CCADLP CCOC(=O)CC1([NH3+])CC[NH+]([C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246534361 807276017 /nfs/dbraw/zinc/27/60/17/807276017.db2.gz YEFRSCYHQPWEGE-OLZOCXBDSA-N 3 2 283.416 0.873 20 0 CCADLP COC(=O)C1(C)CCC([N@@H+]2C[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246560170 807288032 /nfs/dbraw/zinc/28/80/32/807288032.db2.gz UTVRQNBATUQOCZ-QRVCZOOMSA-N 2 2 256.346 0.112 20 0 CCADLP COC(=O)C1(C)CCC([N@H+]2C[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246560170 807288035 /nfs/dbraw/zinc/28/80/35/807288035.db2.gz UTVRQNBATUQOCZ-QRVCZOOMSA-N 2 2 256.346 0.112 20 0 CCADLP COC(=O)N1CCC(N2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)CC1 ZINC001246619457 807326675 /nfs/dbraw/zinc/32/66/75/807326675.db2.gz RLJGUFFQFJSEBT-KBPBESRZSA-N 2 2 296.415 0.243 20 0 CCADLP CC[C@@H]1CC([N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C[C@@H](CC)[NH2+]1 ZINC001246646304 807344646 /nfs/dbraw/zinc/34/46/46/807344646.db2.gz XAPUFYVHFMIVHG-IIAWOOMASA-N 3 2 280.460 0.933 20 0 CCADLP CC[C@@H]1CC([N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C[C@@H](CC)[NH2+]1 ZINC001246646304 807344655 /nfs/dbraw/zinc/34/46/55/807344655.db2.gz XAPUFYVHFMIVHG-IIAWOOMASA-N 3 2 280.460 0.933 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCCC3(C[NH2+]C3)C2)CN1 ZINC001246792859 807382113 /nfs/dbraw/zinc/38/21/13/807382113.db2.gz RLYBRPYAKIPYLF-STQMWFEESA-N 2 2 281.400 0.356 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CCCC3(C[NH2+]C3)C2)CN1 ZINC001246792859 807382121 /nfs/dbraw/zinc/38/21/21/807382121.db2.gz RLYBRPYAKIPYLF-STQMWFEESA-N 2 2 281.400 0.356 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N2CC[C@H]([NH+]3CCCCC3)C2)C[NH2+]1 ZINC001246800537 807388003 /nfs/dbraw/zinc/38/80/03/807388003.db2.gz QNCCEJMGPZATEU-MJBXVCDLSA-N 2 2 281.400 0.450 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1C ZINC001246866773 807415280 /nfs/dbraw/zinc/41/52/80/807415280.db2.gz DLNQSOVXCOJAKC-HNGCFSAESA-N 2 2 267.373 0.058 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1C ZINC001246866773 807415283 /nfs/dbraw/zinc/41/52/83/807415283.db2.gz DLNQSOVXCOJAKC-HNGCFSAESA-N 2 2 267.373 0.058 20 0 CCADLP COC(=O)[C@H]([NH3+])[C@H]1CCCN([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246927577 807429878 /nfs/dbraw/zinc/42/98/78/807429878.db2.gz XAZHXVNAVIMAEE-MROQNXINSA-N 2 2 269.389 0.339 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)C[C@@H]1[NH3+] ZINC001246935005 807433104 /nfs/dbraw/zinc/43/31/04/807433104.db2.gz WWRYSICGEOFTDW-KBPBESRZSA-N 3 2 295.427 0.731 20 0 CCADLP COC(=O)[C@H]1C[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C[C@@H]1[NH3+] ZINC001246935005 807433107 /nfs/dbraw/zinc/43/31/07/807433107.db2.gz WWRYSICGEOFTDW-KBPBESRZSA-N 3 2 295.427 0.731 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)CN1 ZINC001246973220 807443541 /nfs/dbraw/zinc/44/35/41/807443541.db2.gz NOAGQZWXTHUTNT-BNOWGMLFSA-N 2 2 281.400 0.354 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)CN1 ZINC001246973220 807443545 /nfs/dbraw/zinc/44/35/45/807443545.db2.gz NOAGQZWXTHUTNT-BNOWGMLFSA-N 2 2 281.400 0.354 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247015284 807452904 /nfs/dbraw/zinc/45/29/04/807452904.db2.gz OADBFRIGAYJMLF-RBSFLKMASA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247015284 807452907 /nfs/dbraw/zinc/45/29/07/807452907.db2.gz OADBFRIGAYJMLF-RBSFLKMASA-N 2 2 295.427 0.698 20 0 CCADLP O[C@H]1C[NH2+]C[C@@H]1c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001247712565 807481007 /nfs/dbraw/zinc/48/10/07/807481007.db2.gz VSUVVDNBJSFTKI-STQMWFEESA-N 2 2 297.318 0.970 20 0 CCADLP O[C@@H]1C[NH2+]C[C@@H]1c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001247711262 807481163 /nfs/dbraw/zinc/48/11/63/807481163.db2.gz OKRNFDSJUUWDSN-WCQYABFASA-N 2 2 297.318 0.970 20 0 CCADLP COc1c(F)cccc1-c1noc(C[C@@H]([NH3+])C[NH3+])n1 ZINC001249128811 807544437 /nfs/dbraw/zinc/54/44/37/807544437.db2.gz FKIXTZCIDUZMPQ-SSDOTTSWSA-N 2 2 266.276 0.713 20 0 CCADLP CN(C)c1ccccc1-c1noc(C[C@@H]([NH3+])C[NH3+])n1 ZINC001249128814 807544888 /nfs/dbraw/zinc/54/48/88/807544888.db2.gz FPNXILFKTXTRKT-SECBINFHSA-N 2 2 261.329 0.631 20 0 CCADLP COc1ncc(Cl)cc1-c1noc(C[C@@H]([NH3+])C[NH3+])n1 ZINC001249128102 807545190 /nfs/dbraw/zinc/54/51/90/807545190.db2.gz HGBWMMDORIKNNS-SSDOTTSWSA-N 2 2 283.719 0.622 20 0 CCADLP COc1cc(-c2noc(C[C@@H]([NH3+])C[NH3+])n2)ccc1C ZINC001249130135 807545239 /nfs/dbraw/zinc/54/52/39/807545239.db2.gz UMMFQWARXFTEKO-SNVBAGLBSA-N 2 2 262.313 0.882 20 0 CCADLP CN(C(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1C[NH+](CCCF)C1 ZINC001042756923 815134373 /nfs/dbraw/zinc/13/43/73/815134373.db2.gz WGJNCSBFUAPZSH-OCCSQVGLSA-N 2 2 299.390 0.352 20 0 CCADLP CN(C(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1C[NH+](CCCF)C1 ZINC001042756923 815134376 /nfs/dbraw/zinc/13/43/76/815134376.db2.gz WGJNCSBFUAPZSH-OCCSQVGLSA-N 2 2 299.390 0.352 20 0 CCADLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+](C[C@H](C)O)C2)C1 ZINC001251959373 807751869 /nfs/dbraw/zinc/75/18/69/807751869.db2.gz FCARWIBDWPAWMI-GJZGRUSLSA-N 2 2 286.416 0.428 20 0 CCADLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+](C[C@H](C)O)C2)C1 ZINC001251959373 807751875 /nfs/dbraw/zinc/75/18/75/807751875.db2.gz FCARWIBDWPAWMI-GJZGRUSLSA-N 2 2 286.416 0.428 20 0 CCADLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+](C[C@H](C)O)C2)C1 ZINC001251959373 807751881 /nfs/dbraw/zinc/75/18/81/807751881.db2.gz FCARWIBDWPAWMI-GJZGRUSLSA-N 2 2 286.416 0.428 20 0 CCADLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+](C[C@H](C)O)C2)C1 ZINC001251959373 807751887 /nfs/dbraw/zinc/75/18/87/807751887.db2.gz FCARWIBDWPAWMI-GJZGRUSLSA-N 2 2 286.416 0.428 20 0 CCADLP COC(=O)[C@@H](O)C[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001252442568 807859055 /nfs/dbraw/zinc/85/90/55/807859055.db2.gz VBQUNLYSBBJBMQ-ZDUSSCGKSA-N 2 2 293.367 0.422 20 0 CCADLP CC[N@@H+]1CCO[C@@H]2C[NH+](C[C@@H](O)COC(C)C)C[C@@H]2C1 ZINC001252676294 807937131 /nfs/dbraw/zinc/93/71/31/807937131.db2.gz FDANYNGBTUAMFG-RRFJBIMHSA-N 2 2 286.416 0.425 20 0 CCADLP CC[N@H+]1CCO[C@@H]2C[NH+](C[C@@H](O)COC(C)C)C[C@@H]2C1 ZINC001252676294 807937135 /nfs/dbraw/zinc/93/71/35/807937135.db2.gz FDANYNGBTUAMFG-RRFJBIMHSA-N 2 2 286.416 0.425 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@H+](C[C@@H](O)COC(C)C)C[C@@H]2C1 ZINC001252676294 807937140 /nfs/dbraw/zinc/93/71/40/807937140.db2.gz FDANYNGBTUAMFG-RRFJBIMHSA-N 2 2 286.416 0.425 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@@H+](C[C@@H](O)COC(C)C)C[C@@H]2C1 ZINC001252676294 807937143 /nfs/dbraw/zinc/93/71/43/807937143.db2.gz FDANYNGBTUAMFG-RRFJBIMHSA-N 2 2 286.416 0.425 20 0 CCADLP COCC[N@H+](CC1(O)CCOCC1)C1CC[NH+](C)CC1 ZINC001252960855 807991592 /nfs/dbraw/zinc/99/15/92/807991592.db2.gz PKVDDGDKJRMDRB-UHFFFAOYSA-N 2 2 286.416 0.571 20 0 CCADLP COCC[N@@H+](CC1(O)CCOCC1)C1CC[NH+](C)CC1 ZINC001252960855 807991596 /nfs/dbraw/zinc/99/15/96/807991596.db2.gz PKVDDGDKJRMDRB-UHFFFAOYSA-N 2 2 286.416 0.571 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H]1CC(=O)N(C(C)C)C1 ZINC001253207171 808031278 /nfs/dbraw/zinc/03/12/78/808031278.db2.gz AJRJYTNZOLOPJS-STQMWFEESA-N 2 2 271.405 0.288 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+]C[C@@H](O)c1ccccn1 ZINC001253209288 808033087 /nfs/dbraw/zinc/03/30/87/808033087.db2.gz DNPSGTKOYVINSB-GXTWGEPZSA-N 2 2 267.373 0.407 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+]C[C@@H](O)c1ccncc1 ZINC001253215382 808035763 /nfs/dbraw/zinc/03/57/63/808035763.db2.gz WUSMWEQEZCZLDE-UONOGXRCSA-N 2 2 267.373 0.407 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001253394014 808054678 /nfs/dbraw/zinc/05/46/78/808054678.db2.gz CEHUYFMYBGODIO-OCCSQVGLSA-N 2 2 256.390 0.990 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@]2(CCO2)C1 ZINC001253394014 808054685 /nfs/dbraw/zinc/05/46/85/808054685.db2.gz CEHUYFMYBGODIO-OCCSQVGLSA-N 2 2 256.390 0.990 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001253394015 808055784 /nfs/dbraw/zinc/05/57/84/808055784.db2.gz CEHUYFMYBGODIO-TZMCWYRMSA-N 2 2 256.390 0.990 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001253394015 808055793 /nfs/dbraw/zinc/05/57/93/808055793.db2.gz CEHUYFMYBGODIO-TZMCWYRMSA-N 2 2 256.390 0.990 20 0 CCADLP COc1cc(C)[nH]c(=O)c1C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253410061 808062966 /nfs/dbraw/zinc/06/29/66/808062966.db2.gz ALBDZUSHBHSTPF-NSHDSACASA-N 2 2 297.399 0.943 20 0 CCADLP C[NH+]1CC(C[NH2+]C[C@](C)(O)C(=O)OCc2ccccc2)C1 ZINC001253658344 808104070 /nfs/dbraw/zinc/10/40/70/808104070.db2.gz PZMVWXOOHDEMNF-INIZCTEOSA-N 2 2 292.379 0.632 20 0 CCADLP C[N@@H+]1CC[C@]2(CC[NH+](C[C@H](O)C(=O)OC(C)(C)C)C2)C1 ZINC001253691588 808118253 /nfs/dbraw/zinc/11/82/53/808118253.db2.gz RHZGKZUUEINYBW-WFASDCNBSA-N 2 2 284.400 0.717 20 0 CCADLP C[N@H+]1CC[C@]2(CC[NH+](C[C@H](O)C(=O)OC(C)(C)C)C2)C1 ZINC001253691588 808118255 /nfs/dbraw/zinc/11/82/55/808118255.db2.gz RHZGKZUUEINYBW-WFASDCNBSA-N 2 2 284.400 0.717 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@H+](C[C@H](O)C(=O)OC(C)(C)C)C2)C1 ZINC001253691588 808118259 /nfs/dbraw/zinc/11/82/59/808118259.db2.gz RHZGKZUUEINYBW-WFASDCNBSA-N 2 2 284.400 0.717 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@@H+](C[C@H](O)C(=O)OC(C)(C)C)C2)C1 ZINC001253691588 808118261 /nfs/dbraw/zinc/11/82/61/808118261.db2.gz RHZGKZUUEINYBW-WFASDCNBSA-N 2 2 284.400 0.717 20 0 CCADLP CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CC[C@H]([NH3+])C2)CC1=O ZINC001254227873 808197192 /nfs/dbraw/zinc/19/71/92/808197192.db2.gz HOJXZYITCWLPLG-WDEREUQCSA-N 2 2 283.372 0.946 20 0 CCADLP CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CC[C@H]([NH3+])C2)CC1=O ZINC001254227873 808197196 /nfs/dbraw/zinc/19/71/96/808197196.db2.gz HOJXZYITCWLPLG-WDEREUQCSA-N 2 2 283.372 0.946 20 0 CCADLP CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CC[C@@H]([NH3+])C2)CC1=O ZINC001254227614 808197371 /nfs/dbraw/zinc/19/73/71/808197371.db2.gz HOJXZYITCWLPLG-GHMZBOCLSA-N 2 2 283.372 0.946 20 0 CCADLP CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CC[C@@H]([NH3+])C2)CC1=O ZINC001254227614 808197374 /nfs/dbraw/zinc/19/73/74/808197374.db2.gz HOJXZYITCWLPLG-GHMZBOCLSA-N 2 2 283.372 0.946 20 0 CCADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2cncc(C(N)=O)c2)CC1 ZINC001254511859 808250153 /nfs/dbraw/zinc/25/01/53/808250153.db2.gz GGXLHVBKJAJAPT-ZDUSSCGKSA-N 2 2 262.357 0.754 20 0 CCADLP C[N@H+]1CCC[C@H]([NH2+]Cc2cncc(C(N)=O)c2)CC1 ZINC001254511859 808250156 /nfs/dbraw/zinc/25/01/56/808250156.db2.gz GGXLHVBKJAJAPT-ZDUSSCGKSA-N 2 2 262.357 0.754 20 0 CCADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cncc(C(N)=O)c2)CC1 ZINC001254511858 808251597 /nfs/dbraw/zinc/25/15/97/808251597.db2.gz GGXLHVBKJAJAPT-CYBMUJFWSA-N 2 2 262.357 0.754 20 0 CCADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2cncc(C(N)=O)c2)CC1 ZINC001254511858 808251600 /nfs/dbraw/zinc/25/16/00/808251600.db2.gz GGXLHVBKJAJAPT-CYBMUJFWSA-N 2 2 262.357 0.754 20 0 CCADLP CC(=O)NCCCC[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254842674 808284865 /nfs/dbraw/zinc/28/48/65/808284865.db2.gz FUFCUPLTLXDBTA-CQSZACIVSA-N 2 2 253.390 0.977 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254846365 808287047 /nfs/dbraw/zinc/28/70/47/808287047.db2.gz VTBJONSFFHWRBB-JHJVBQTASA-N 2 2 252.358 0.869 20 0 CCADLP CS(=O)(=O)N1CC[C@@H]([NH2+][C@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254845540 808287227 /nfs/dbraw/zinc/28/72/27/808287227.db2.gz OKUFUZJVUMIEHQ-OLZOCXBDSA-N 2 2 287.429 0.094 20 0 CCADLP NC(=O)[C@H](CO)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255388782 808352291 /nfs/dbraw/zinc/35/22/91/808352291.db2.gz HLWAWWPDBKFONX-GJZGRUSLSA-N 2 2 291.395 0.477 20 0 CCADLP NC(=O)[C@H](CO)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255388782 808352302 /nfs/dbraw/zinc/35/23/02/808352302.db2.gz HLWAWWPDBKFONX-GJZGRUSLSA-N 2 2 291.395 0.477 20 0 CCADLP C[N@@H+]1CC[C@H](N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC001255433002 808364298 /nfs/dbraw/zinc/36/42/98/808364298.db2.gz UFZJZLAKPCLFFM-HNNXBMFYSA-N 2 2 260.385 0.903 20 0 CCADLP C[N@H+]1CC[C@H](N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC001255433002 808364307 /nfs/dbraw/zinc/36/43/07/808364307.db2.gz UFZJZLAKPCLFFM-HNNXBMFYSA-N 2 2 260.385 0.903 20 0 CCADLP CC[NH+](CC)CC[C@H](C)[NH2+]CCC[NH+](CCO)CCO ZINC001255944370 808440006 /nfs/dbraw/zinc/44/00/06/808440006.db2.gz VHSNRDXDMFSQBQ-HNNXBMFYSA-N 3 2 289.464 0.373 20 0 CCADLP C[C@H](C[NH+](C)C)[NH2+]C1CCN(c2ncccn2)CC1 ZINC001256045515 808459353 /nfs/dbraw/zinc/45/93/53/808459353.db2.gz QOOYDNVKRKVIOF-GFCCVEGCSA-N 2 2 263.389 0.985 20 0 CCADLP O[C@@H]1CCCN(CC[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC001256069458 808467461 /nfs/dbraw/zinc/46/74/61/808467461.db2.gz DQCPEXJMUZTQEK-OAHLLOKOSA-N 2 2 267.417 0.660 20 0 CCADLP COC(=O)[C@@H]1COCCC12C[NH+](C1CC[NH+](C)CC1)C2 ZINC001256208690 808481980 /nfs/dbraw/zinc/48/19/80/808481980.db2.gz MTUONAWWVYHXHB-ZDUSSCGKSA-N 2 2 282.384 0.592 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@H]2CC3CC[NH+]2CC3)C1 ZINC001142635163 815212500 /nfs/dbraw/zinc/21/25/00/815212500.db2.gz HEGMQIJNVISKSO-CYBMUJFWSA-N 2 2 251.374 0.680 20 0 CCADLP Cc1[nH+]c2c(n1C1CCS(=O)(=O)CC1)CC[NH2+]CC2 ZINC001256386293 808519204 /nfs/dbraw/zinc/51/92/04/808519204.db2.gz KIUPKAVVWZYCGN-UHFFFAOYSA-N 2 2 283.397 0.629 20 0 CCADLP NC(=O)[C@@H]1C[C@H](F)C[N@@H+]1C1CCN(c2cc[nH+]cc2)CC1 ZINC001256861629 808565019 /nfs/dbraw/zinc/56/50/19/808565019.db2.gz SOYACFOSLYNRHZ-FZMZJTMJSA-N 2 2 292.358 0.948 20 0 CCADLP NC(=O)[C@@H]1C[C@H](F)C[N@H+]1C1CCN(c2cc[nH+]cc2)CC1 ZINC001256861629 808565023 /nfs/dbraw/zinc/56/50/23/808565023.db2.gz SOYACFOSLYNRHZ-FZMZJTMJSA-N 2 2 292.358 0.948 20 0 CCADLP COC(=O)CC1CCC([NH2+]C2(C[NH3+])COC2)CC1 ZINC001256975746 808573905 /nfs/dbraw/zinc/57/39/05/808573905.db2.gz AETXSLZNZYYALQ-UHFFFAOYSA-N 2 2 256.346 0.426 20 0 CCADLP CCC[NH+]1CCC(n2cnc(C[C@@H]([NH3+])C(=O)OC)c2)CC1 ZINC001258771465 808702258 /nfs/dbraw/zinc/70/22/58/808702258.db2.gz CVYHHURJVBLHIP-CQSZACIVSA-N 2 2 294.399 0.973 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CC[NH2+]CC1CC1 ZINC001261886472 809119931 /nfs/dbraw/zinc/11/99/31/809119931.db2.gz FENIXHQFKHDVIZ-GFCCVEGCSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)CC[NH2+]CC1CC1 ZINC001261886472 809119936 /nfs/dbraw/zinc/11/99/36/809119936.db2.gz FENIXHQFKHDVIZ-GFCCVEGCSA-N 2 2 269.389 0.213 20 0 CCADLP C[NH2+]CC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001262046184 809171794 /nfs/dbraw/zinc/17/17/94/809171794.db2.gz KQIVUXVEJOSOLF-CYBMUJFWSA-N 2 2 258.325 0.960 20 0 CCADLP CC1(C)CN(C(=O)NCCCn2cc[nH+]c2)C[C@H]1[NH3+] ZINC001262559179 809341518 /nfs/dbraw/zinc/34/15/18/809341518.db2.gz CNOFSJSOYSKQLQ-LLVKDONJSA-N 2 2 265.361 0.652 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)CCSCCC[NH3+])CCO1 ZINC001263098234 809443099 /nfs/dbraw/zinc/44/30/99/809443099.db2.gz WQMNNWCJRVGFNC-LBPRGKRZSA-N 2 2 289.445 0.295 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)CCSCCC[NH3+])CCO1 ZINC001263098234 809443101 /nfs/dbraw/zinc/44/31/01/809443101.db2.gz WQMNNWCJRVGFNC-LBPRGKRZSA-N 2 2 289.445 0.295 20 0 CCADLP CC(C)(C(=O)N1CC[C@](C)(C[NH3+])C1)c1c[nH+]c[nH]1 ZINC001263106818 809447372 /nfs/dbraw/zinc/44/73/72/809447372.db2.gz GSVRILLGEPLMQM-CYBMUJFWSA-N 2 2 250.346 0.885 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1=CC[NH2+]CC1 ZINC001263105732 809447559 /nfs/dbraw/zinc/44/75/59/809447559.db2.gz WQISGFVHZDHYNG-VXGBXAGGSA-N 2 2 260.341 0.560 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC[C@H](C)F ZINC001265829979 809867423 /nfs/dbraw/zinc/86/74/23/809867423.db2.gz LUHSVFKQMXGFOK-VHSXEESVSA-N 2 2 256.325 0.795 20 0 CCADLP COC[C@H](C)[NH2+][C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001265844042 809874231 /nfs/dbraw/zinc/87/42/31/809874231.db2.gz RSIFEZIUDUGHKP-UWVGGRQHSA-N 2 2 254.334 0.081 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@H+](C)CCF ZINC001265961884 809906637 /nfs/dbraw/zinc/90/66/37/809906637.db2.gz JLXWNCRXSSXTLF-UHFFFAOYSA-N 2 2 256.325 0.668 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@@H+](C)CCF ZINC001265961884 809906639 /nfs/dbraw/zinc/90/66/39/809906639.db2.gz JLXWNCRXSSXTLF-UHFFFAOYSA-N 2 2 256.325 0.668 20 0 CCADLP [NH3+][C@@H](CC(=O)N1CC[NH+](CC2CC2)CC1)C(F)F ZINC000724753789 811092676 /nfs/dbraw/zinc/09/26/76/811092676.db2.gz ZHQUFBJVNLLWKY-JTQLQIEISA-N 2 2 261.316 0.523 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@H+]1CCCF ZINC001267283157 811093616 /nfs/dbraw/zinc/09/36/16/811093616.db2.gz JBVNQUJWMMATLF-LBPRGKRZSA-N 2 2 268.336 0.823 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+]1CCCF ZINC001267283157 811093624 /nfs/dbraw/zinc/09/36/24/811093624.db2.gz JBVNQUJWMMATLF-LBPRGKRZSA-N 2 2 268.336 0.823 20 0 CCADLP CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000724878541 811095482 /nfs/dbraw/zinc/09/54/82/811095482.db2.gz SZCZWFNSQKJUJF-WUHRBBMRSA-N 2 2 258.362 0.147 20 0 CCADLP CO[C@@H]1CCOC[C@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000724897938 811114778 /nfs/dbraw/zinc/11/47/78/811114778.db2.gz XPEFHXICNQVUAT-QUTCXQLSSA-N 2 2 252.358 0.376 20 0 CCADLP CN(CC[NH2+]Cc1ncccn1)C(=O)C1(C[NH+](C)C)CC1 ZINC001267420129 811293172 /nfs/dbraw/zinc/29/31/72/811293172.db2.gz VVDDYPJGQAAKOA-UHFFFAOYSA-N 2 2 291.399 0.366 20 0 CCADLP CN(CC[NH2+]CCC[C@H]1CCOC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001267445497 811310316 /nfs/dbraw/zinc/31/03/16/811310316.db2.gz BRTNUABRFMPSEY-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001077260548 815469097 /nfs/dbraw/zinc/46/90/97/815469097.db2.gz LHWAIAGKNBJCHE-MRVWCRGKSA-N 2 2 292.383 0.015 20 0 CCADLP CCOCC[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001267971801 811908045 /nfs/dbraw/zinc/90/80/45/811908045.db2.gz HIBCWNRJIMBQNI-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP C[C@@H](C[NH2+]CCCO)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001268071890 812183687 /nfs/dbraw/zinc/18/36/87/812183687.db2.gz RDLDTIULEAKKEO-STQMWFEESA-N 2 2 294.399 0.264 20 0 CCADLP COCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001268070059 812184927 /nfs/dbraw/zinc/18/49/27/812184927.db2.gz CEKDHUYVCNLYPK-OLZOCXBDSA-N 2 2 294.399 0.528 20 0 CCADLP O=C(NC[C@H]1CCC[N@H+]1CCO)[C@@H]1CCn2c[nH+]cc2C1 ZINC001027977781 812188231 /nfs/dbraw/zinc/18/82/31/812188231.db2.gz YHTYVOWAKOOUOW-CHWSQXEVSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(NC[C@H]1CCC[N@@H+]1CCO)[C@@H]1CCn2c[nH+]cc2C1 ZINC001027977781 812188238 /nfs/dbraw/zinc/18/82/38/812188238.db2.gz YHTYVOWAKOOUOW-CHWSQXEVSA-N 2 2 292.383 0.018 20 0 CCADLP C[C@@H](C[NH2+]CC[C@@H]1CCOC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001268091113 812232496 /nfs/dbraw/zinc/23/24/96/812232496.db2.gz AHSNMYQJQDTKJN-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP O[C@H](C[NH2+][C@H]1CC[N@H+](CC2CC2)C1)C1(O)CCC1 ZINC000905103881 815510432 /nfs/dbraw/zinc/51/04/32/815510432.db2.gz ZZDRPMPWBBSASG-QWHCGFSZSA-N 2 2 254.374 0.336 20 0 CCADLP O[C@H](C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C1(O)CCC1 ZINC000905103881 815510436 /nfs/dbraw/zinc/51/04/36/815510436.db2.gz ZZDRPMPWBBSASG-QWHCGFSZSA-N 2 2 254.374 0.336 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001268097291 812254564 /nfs/dbraw/zinc/25/45/64/812254564.db2.gz BVQREBTWHPFKDL-VXGBXAGGSA-N 2 2 268.361 0.355 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCO ZINC001028147277 812315542 /nfs/dbraw/zinc/31/55/42/812315542.db2.gz SSROFIGPOFQVTR-YNEHKIRRSA-N 2 2 292.383 0.097 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCO ZINC001028147277 812315550 /nfs/dbraw/zinc/31/55/50/812315550.db2.gz SSROFIGPOFQVTR-YNEHKIRRSA-N 2 2 292.383 0.097 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OCCC[NH+]2CCCC2)C[N@@H+]1C ZINC001224744557 815519864 /nfs/dbraw/zinc/51/98/64/815519864.db2.gz NXQMWFIJIOTKSP-OLZOCXBDSA-N 2 2 270.373 0.735 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OCCC[NH+]2CCCC2)C[N@H+]1C ZINC001224744557 815519867 /nfs/dbraw/zinc/51/98/67/815519867.db2.gz NXQMWFIJIOTKSP-OLZOCXBDSA-N 2 2 270.373 0.735 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCC[NH+]2Cc2ccon2)C1 ZINC001028313872 812610332 /nfs/dbraw/zinc/61/03/32/812610332.db2.gz CIMMZBBSDVGJEU-TZMCWYRMSA-N 2 2 292.383 0.707 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCC[NH+]2Cc2ccon2)C1 ZINC001028313872 812610338 /nfs/dbraw/zinc/61/03/38/812610338.db2.gz CIMMZBBSDVGJEU-TZMCWYRMSA-N 2 2 292.383 0.707 20 0 CCADLP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccon2)C1 ZINC001028313872 812610343 /nfs/dbraw/zinc/61/03/43/812610343.db2.gz CIMMZBBSDVGJEU-TZMCWYRMSA-N 2 2 292.383 0.707 20 0 CCADLP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2ccon2)C1 ZINC001028313872 812610347 /nfs/dbraw/zinc/61/03/47/812610347.db2.gz CIMMZBBSDVGJEU-TZMCWYRMSA-N 2 2 292.383 0.707 20 0 CCADLP COc1cc(F)ccc1-c1noc([C@H]2C[NH2+]C[C@@H]2[NH3+])n1 ZINC001211755396 812669918 /nfs/dbraw/zinc/66/99/18/812669918.db2.gz KXEUMGIGCYZBKO-UWVGGRQHSA-N 2 2 278.287 0.898 20 0 CCADLP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083373303 812916980 /nfs/dbraw/zinc/91/69/80/812916980.db2.gz YSVDQYOSIKDKGQ-RDBSUJKOSA-N 2 2 281.400 0.208 20 0 CCADLP CO[C@@H](C)C[NH2+]CCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001268914466 813145236 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O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]CCOCC1CC1 ZINC001126448705 813639518 /nfs/dbraw/zinc/63/95/18/813639518.db2.gz XDVKPQITPRTEDD-UHFFFAOYSA-N 2 2 280.372 0.475 20 0 CCADLP CC(C)OCC[NH2+]C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001270282004 813708080 /nfs/dbraw/zinc/70/80/80/813708080.db2.gz ZESSWJJKNZCKST-CYBMUJFWSA-N 2 2 294.399 0.958 20 0 CCADLP C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC001270510201 813790395 /nfs/dbraw/zinc/79/03/95/813790395.db2.gz HNFDTQLFNZBAIC-LBPRGKRZSA-N 2 2 274.368 0.610 20 0 CCADLP C[N@H+]1CCC2(CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC001270510201 813790402 /nfs/dbraw/zinc/79/04/02/813790402.db2.gz HNFDTQLFNZBAIC-LBPRGKRZSA-N 2 2 274.368 0.610 20 0 CCADLP C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001270556976 813812156 /nfs/dbraw/zinc/81/21/56/813812156.db2.gz AQLNNTJDPMGVFC-TXEJJXNPSA-N 2 2 286.335 0.718 20 0 CCADLP C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001270556976 813812164 /nfs/dbraw/zinc/81/21/64/813812164.db2.gz AQLNNTJDPMGVFC-TXEJJXNPSA-N 2 2 286.335 0.718 20 0 CCADLP COCCC[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001167979458 813883321 /nfs/dbraw/zinc/88/33/21/813883321.db2.gz RWYSXXMSJDNXJS-GFCCVEGCSA-N 2 2 282.388 0.721 20 0 CCADLP COCCC[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001167979458 813883329 /nfs/dbraw/zinc/88/33/29/813883329.db2.gz RWYSXXMSJDNXJS-GFCCVEGCSA-N 2 2 282.388 0.721 20 0 CCADLP C[N@@H+]1CCO[C@H]2CN(C(=O)CC34CCC[NH+]3CCC4)C[C@@H]21 ZINC001271260858 814353374 /nfs/dbraw/zinc/35/33/74/814353374.db2.gz WJCGJYTYBLUPBM-KBPBESRZSA-N 2 2 293.411 0.546 20 0 CCADLP C[N@H+]1CCO[C@H]2CN(C(=O)CC34CCC[NH+]3CCC4)C[C@@H]21 ZINC001271260858 814353382 /nfs/dbraw/zinc/35/33/82/814353382.db2.gz WJCGJYTYBLUPBM-KBPBESRZSA-N 2 2 293.411 0.546 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000430603872 814550039 /nfs/dbraw/zinc/55/00/39/814550039.db2.gz OCVWJMQYCDRBSF-DZGCQCFKSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000430603872 814550045 /nfs/dbraw/zinc/55/00/45/814550045.db2.gz OCVWJMQYCDRBSF-DZGCQCFKSA-N 2 2 295.427 0.698 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C)C[C@H](C1)O2 ZINC001271932156 814633966 /nfs/dbraw/zinc/63/39/66/814633966.db2.gz UGYQQISNTKZVII-MJBXVCDLSA-N 2 2 281.400 0.402 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C)C[C@H](C1)O2 ZINC001271932156 814633970 /nfs/dbraw/zinc/63/39/70/814633970.db2.gz UGYQQISNTKZVII-MJBXVCDLSA-N 2 2 281.400 0.402 20 0 CCADLP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C)C[C@H](C1)O2 ZINC001271932156 814633979 /nfs/dbraw/zinc/63/39/79/814633979.db2.gz UGYQQISNTKZVII-MJBXVCDLSA-N 2 2 281.400 0.402 20 0 CCADLP C[C@H]1C[C@H]([NH+]2CCN(CC[NH+]3CCOCC3)CC2)CCO1 ZINC001168127862 814704329 /nfs/dbraw/zinc/70/43/29/814704329.db2.gz JJRBXVUAHCRJEQ-JKSUJKDBSA-N 2 2 297.443 0.504 20 0 CCADLP COC1(OC)CCOC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000698270771 815792298 /nfs/dbraw/zinc/79/22/98/815792298.db2.gz MSRWWMHXTBRBHR-LLVKDONJSA-N 2 2 255.318 0.251 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](C[C@@H]2CCCCO2)C1 ZINC001030160101 815848992 /nfs/dbraw/zinc/84/89/92/815848992.db2.gz ASFNJZJIVOQEQB-KBPBESRZSA-N 2 2 281.400 0.450 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](C[C@@H]2CCCCO2)C1 ZINC001030160101 815848999 /nfs/dbraw/zinc/84/89/99/815848999.db2.gz ASFNJZJIVOQEQB-KBPBESRZSA-N 2 2 281.400 0.450 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001030433270 816037387 /nfs/dbraw/zinc/03/73/87/816037387.db2.gz XWLWQHSSRXROTE-KGLIPLIRSA-N 2 2 297.443 0.800 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001030433270 816037393 /nfs/dbraw/zinc/03/73/93/816037393.db2.gz XWLWQHSSRXROTE-KGLIPLIRSA-N 2 2 297.443 0.800 20 0 CCADLP O=C(NC1C[NH+](CC2CC2)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001030553854 816105691 /nfs/dbraw/zinc/10/56/91/816105691.db2.gz CMCDXDJBEARGAT-LBPRGKRZSA-N 2 2 274.368 0.656 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001030683988 816216039 /nfs/dbraw/zinc/21/60/39/816216039.db2.gz HSBGFLXAGJWCLQ-LLVKDONJSA-N 2 2 266.345 0.027 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1C[C@@H]1CCOC1 ZINC001089074549 816234825 /nfs/dbraw/zinc/23/48/25/816234825.db2.gz LEMBBIFPABDZKY-RDBSUJKOSA-N 2 2 292.383 0.499 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1C[C@@H]1CCOC1 ZINC001089074549 816234834 /nfs/dbraw/zinc/23/48/34/816234834.db2.gz LEMBBIFPABDZKY-RDBSUJKOSA-N 2 2 292.383 0.499 20 0 CCADLP CCC[N@@H+]1CCC[C@H](C(=O)NC2C[NH+](C[C@H](C)OC)C2)C1 ZINC001030825680 816320079 /nfs/dbraw/zinc/32/00/79/816320079.db2.gz ONCJLTZNAMKOPV-KBPBESRZSA-N 2 2 297.443 0.944 20 0 CCADLP CCC[N@H+]1CCC[C@H](C(=O)NC2C[NH+](C[C@H](C)OC)C2)C1 ZINC001030825680 816320084 /nfs/dbraw/zinc/32/00/84/816320084.db2.gz ONCJLTZNAMKOPV-KBPBESRZSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+](CC3CC3)C2)C1 ZINC001030838216 816332115 /nfs/dbraw/zinc/33/21/15/816332115.db2.gz ARPYGXZVWHXMNU-CQSZACIVSA-N 2 2 281.400 0.306 20 0 CCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NC2C[NH+](CC3CC3)C2)C1 ZINC001030838216 816332122 /nfs/dbraw/zinc/33/21/22/816332122.db2.gz ARPYGXZVWHXMNU-CQSZACIVSA-N 2 2 281.400 0.306 20 0 CCADLP C[C@H]1CC[C@@H](C[NH+]2CC(NC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC001030892002 816401467 /nfs/dbraw/zinc/40/14/67/816401467.db2.gz YKPJWKXRGVQHPU-WFASDCNBSA-N 2 2 295.427 0.696 20 0 CCADLP O=C(NCC[NH2+]Cc1cnon1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127255655 816467156 /nfs/dbraw/zinc/46/71/56/816467156.db2.gz KNBAZSSMIGOZIQ-DGCLKSJQSA-N 2 2 293.371 0.150 20 0 CCADLP O=C(NCC[NH2+]Cc1cnon1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127255655 816467160 /nfs/dbraw/zinc/46/71/60/816467160.db2.gz KNBAZSSMIGOZIQ-DGCLKSJQSA-N 2 2 293.371 0.150 20 0 CCADLP CC(C)=CC[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001030965204 816513310 /nfs/dbraw/zinc/51/33/10/816513310.db2.gz YIHFGPZFABYPFC-OCCSQVGLSA-N 2 2 265.401 0.951 20 0 CCADLP CC(C)=CC[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001030965204 816513312 /nfs/dbraw/zinc/51/33/12/816513312.db2.gz YIHFGPZFABYPFC-OCCSQVGLSA-N 2 2 265.401 0.951 20 0 CCADLP CC(C)[NH+]1CCC(C(=O)NC2C[NH+](CCCO)C2)CC1 ZINC001031188610 816766375 /nfs/dbraw/zinc/76/63/75/816766375.db2.gz UNXSIUBUCBCANH-UHFFFAOYSA-N 2 2 283.416 0.290 20 0 CCADLP O=C(NC1C[NH+](CCCO)C1)C1CC[NH+](CC2CC2)CC1 ZINC001031236410 816869183 /nfs/dbraw/zinc/86/91/83/816869183.db2.gz WLIATSIKNJPMES-UHFFFAOYSA-N 2 2 295.427 0.291 20 0 CCADLP O=C(NC1C[NH+](CCCF)C1)C12CC[NH+](CC1)C2 ZINC001031266467 816915357 /nfs/dbraw/zinc/91/53/57/816915357.db2.gz SSRVCMQYPOCJTH-UHFFFAOYSA-N 2 2 255.337 0.242 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC1C[NH+](C[C@@H]2CC[C@H](C)O2)C1 ZINC001031391718 817026972 /nfs/dbraw/zinc/02/69/72/817026972.db2.gz LVBRUYUQVHTSDN-FZMZJTMJSA-N 2 2 292.383 0.559 20 0 CCADLP CC[C@H](C[NH+]1CC(NC(=O)Cn2cc[nH+]c2C)C1)OC ZINC001031391969 817027990 /nfs/dbraw/zinc/02/79/90/817027990.db2.gz PUNBCQMQEBXPLS-CYBMUJFWSA-N 2 2 280.372 0.417 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC1C[NH+](CC[C@H]2CCCO2)C1 ZINC001031476218 817072744 /nfs/dbraw/zinc/07/27/44/817072744.db2.gz BITCXRFECBKQRO-CYBMUJFWSA-N 2 2 278.356 0.253 20 0 CCADLP O=C(NCC[NH2+]Cc1csnn1)[C@H]1C[NH+]2CCC1CC2 ZINC001127473913 817144505 /nfs/dbraw/zinc/14/45/05/817144505.db2.gz DJSJQERYLWQLAX-LBPRGKRZSA-N 2 2 295.412 0.086 20 0 CCADLP Cn1cncc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001031579712 817158716 /nfs/dbraw/zinc/15/87/16/817158716.db2.gz KRHXGSAGJSTMRB-AWEZNQCLSA-N 2 2 291.399 0.062 20 0 CCADLP Cn1cncc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001031579712 817158722 /nfs/dbraw/zinc/15/87/22/817158722.db2.gz KRHXGSAGJSTMRB-AWEZNQCLSA-N 2 2 291.399 0.062 20 0 CCADLP Cn1cc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC001031580523 817160133 /nfs/dbraw/zinc/16/01/33/817160133.db2.gz UUZJHELTHNAEDN-AWEZNQCLSA-N 2 2 291.399 0.062 20 0 CCADLP Cn1cc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)cn1 ZINC001031580523 817160137 /nfs/dbraw/zinc/16/01/37/817160137.db2.gz UUZJHELTHNAEDN-AWEZNQCLSA-N 2 2 291.399 0.062 20 0 CCADLP COCC[NH+]1CC(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001031782903 817364506 /nfs/dbraw/zinc/36/45/06/817364506.db2.gz PGXQGPGMXMZROM-CYBMUJFWSA-N 2 2 292.383 0.140 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C[NH2+]CCCO)[C@H](C)C1 ZINC001106923004 817445815 /nfs/dbraw/zinc/44/58/15/817445815.db2.gz XFSZUKQHNIDKQP-DGCLKSJQSA-N 2 2 294.399 0.327 20 0 CCADLP COCC[NH+]1CC(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001031968090 817505108 /nfs/dbraw/zinc/50/51/08/817505108.db2.gz NHIDXUFBHUHTDM-GFCCVEGCSA-N 2 2 292.383 0.524 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1C[NH+](CC2CC2)C1 ZINC001031987018 817523992 /nfs/dbraw/zinc/52/39/92/817523992.db2.gz PTFOQKJTSOUWST-ZIAGYGMSSA-N 2 2 288.395 0.982 20 0 CCADLP COCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001098285894 817795105 /nfs/dbraw/zinc/79/51/05/817795105.db2.gz SNWNADNAMLXRPV-BNOWGMLFSA-N 2 2 292.383 0.629 20 0 CCADLP CC(C)[NH2+]CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001127774064 817852342 /nfs/dbraw/zinc/85/23/42/817852342.db2.gz WLHHVJKGBGMHSZ-ZDUSSCGKSA-N 2 2 279.388 0.904 20 0 CCADLP CC(C)[NH2+]CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001127774064 817852348 /nfs/dbraw/zinc/85/23/48/817852348.db2.gz WLHHVJKGBGMHSZ-ZDUSSCGKSA-N 2 2 279.388 0.904 20 0 CCADLP CC[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001078736300 818037424 /nfs/dbraw/zinc/03/74/24/818037424.db2.gz HWIWZWRSBPAMDJ-RYUDHWBXSA-N 2 2 262.357 0.989 20 0 CCADLP C[NH+](C)Cc1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)nc1 ZINC001168735288 818534951 /nfs/dbraw/zinc/53/49/51/818534951.db2.gz MISYBGJTFVFGTN-UHFFFAOYSA-N 3 2 276.388 0.737 20 0 CCADLP COC(=O)Cc1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)nc1 ZINC001168736820 818551663 /nfs/dbraw/zinc/55/16/63/818551663.db2.gz QVZFSLUQWCJVIE-UHFFFAOYSA-N 2 2 291.355 0.391 20 0 CCADLP CN(C)c1cnc(NC(=[NH2+])N2CC[NH+](C)CC2)cn1 ZINC001168736840 818551939 /nfs/dbraw/zinc/55/19/39/818551939.db2.gz QDJLABMQPKTFGL-UHFFFAOYSA-N 2 2 263.349 0.137 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc3c(c2)COC3=O)CC1 ZINC001168737424 818564158 /nfs/dbraw/zinc/56/41/58/818564158.db2.gz WDNNAGAXPPBHOZ-UHFFFAOYSA-N 2 2 274.324 0.951 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cccc3c2CNC(=O)N3)CC1 ZINC001168741470 818609904 /nfs/dbraw/zinc/60/99/04/818609904.db2.gz ZXTJYOAQSACBQV-UHFFFAOYSA-N 2 2 288.355 0.916 20 0 CCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001033205749 818649384 /nfs/dbraw/zinc/64/93/84/818649384.db2.gz FCKCKFGNUATIAJ-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001033205749 818649388 /nfs/dbraw/zinc/64/93/88/818649388.db2.gz FCKCKFGNUATIAJ-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001033205746 818649668 /nfs/dbraw/zinc/64/96/68/818649668.db2.gz FCKCKFGNUATIAJ-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001033205746 818649672 /nfs/dbraw/zinc/64/96/72/818649672.db2.gz FCKCKFGNUATIAJ-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP CCC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033592848 818843914 /nfs/dbraw/zinc/84/39/14/818843914.db2.gz DQFNEUYJNQIBQA-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP CCC[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033592848 818843920 /nfs/dbraw/zinc/84/39/20/818843920.db2.gz DQFNEUYJNQIBQA-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1cnsn1 ZINC001128774198 818981067 /nfs/dbraw/zinc/98/10/67/818981067.db2.gz OODVJUOJCWBTEM-GFCCVEGCSA-N 2 2 297.428 0.618 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1cnsn1 ZINC001128774198 818981074 /nfs/dbraw/zinc/98/10/74/818981074.db2.gz OODVJUOJCWBTEM-GFCCVEGCSA-N 2 2 297.428 0.618 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+]C[C@H]1C[C@@]12CCOC2 ZINC001128967115 819234353 /nfs/dbraw/zinc/23/43/53/819234353.db2.gz BVEWPYFRKFVMAZ-IUODEOHRSA-N 2 2 292.383 0.475 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC[NH2+]C[C@H]1C[C@@]12CCOC2 ZINC001128967115 819234360 /nfs/dbraw/zinc/23/43/60/819234360.db2.gz BVEWPYFRKFVMAZ-IUODEOHRSA-N 2 2 292.383 0.475 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+]CC[C@H]1CCCO1 ZINC001128967418 819236514 /nfs/dbraw/zinc/23/65/14/819236514.db2.gz PRRJKRMJTWZCFL-CYBMUJFWSA-N 2 2 280.372 0.617 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC[NH2+]CC[C@H]1CCCO1 ZINC001128967418 819236521 /nfs/dbraw/zinc/23/65/21/819236521.db2.gz PRRJKRMJTWZCFL-CYBMUJFWSA-N 2 2 280.372 0.617 20 0 CCADLP COC[C@H](C)[N@@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034549174 819241182 /nfs/dbraw/zinc/24/11/82/819241182.db2.gz JGFJMHMCRLJFKH-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP COC[C@H](C)[N@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034549174 819241191 /nfs/dbraw/zinc/24/11/91/819241191.db2.gz JGFJMHMCRLJFKH-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP CC(C)[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001035416630 819520716 /nfs/dbraw/zinc/52/07/16/819520716.db2.gz LGOYAGJPCUXIAV-KBPBESRZSA-N 2 2 283.416 0.696 20 0 CCADLP CC(C)[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001035416630 819520722 /nfs/dbraw/zinc/52/07/22/819520722.db2.gz LGOYAGJPCUXIAV-KBPBESRZSA-N 2 2 283.416 0.696 20 0 CCADLP CC(C)[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001035416630 819520724 /nfs/dbraw/zinc/52/07/24/819520724.db2.gz LGOYAGJPCUXIAV-KBPBESRZSA-N 2 2 283.416 0.696 20 0 CCADLP CC(C)[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001035416630 819520729 /nfs/dbraw/zinc/52/07/29/819520729.db2.gz LGOYAGJPCUXIAV-KBPBESRZSA-N 2 2 283.416 0.696 20 0 CCADLP COCC[NH+]1CC2(C1)CCN(C(=O)Cc1c[nH+]c[nH]1)CC2 ZINC001035803789 819630207 /nfs/dbraw/zinc/63/02/07/819630207.db2.gz FZHAHCBQESRVHX-UHFFFAOYSA-N 2 2 292.383 0.523 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CCF ZINC001036209512 819705899 /nfs/dbraw/zinc/70/58/99/819705899.db2.gz YHGGSPKFQGTVJD-PWSUYJOCSA-N 2 2 268.336 0.748 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)CCO1 ZINC000709920515 819816020 /nfs/dbraw/zinc/81/60/20/819816020.db2.gz PZCXCQIOUDTTRC-UKRRQHHQSA-N 2 2 281.400 0.309 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)CCO1 ZINC000709920515 819816031 /nfs/dbraw/zinc/81/60/31/819816031.db2.gz PZCXCQIOUDTTRC-UKRRQHHQSA-N 2 2 281.400 0.309 20 0 CCADLP Cn1c[nH+]cc1CCC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710570352 819826488 /nfs/dbraw/zinc/82/64/88/819826488.db2.gz KSGAAODDEQIJLI-UHFFFAOYSA-N 3 2 280.416 0.741 20 0 CCADLP COCC[NH2+]C1(CNC(=O)CCc2c[nH+]cn2C)CCC1 ZINC001273194523 820309355 /nfs/dbraw/zinc/30/93/55/820309355.db2.gz IEJSVBMXPYUIGV-UHFFFAOYSA-N 2 2 294.399 0.628 20 0 CCADLP CC(C)=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001079526857 820423465 /nfs/dbraw/zinc/42/34/65/820423465.db2.gz VBPXRVBTTMSMMJ-KFWWJZLASA-N 2 2 295.427 0.720 20 0 CCADLP CC(C)=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001079526857 820423469 /nfs/dbraw/zinc/42/34/69/820423469.db2.gz VBPXRVBTTMSMMJ-KFWWJZLASA-N 2 2 295.427 0.720 20 0 CCADLP CC(C)=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001079526857 820423474 /nfs/dbraw/zinc/42/34/74/820423474.db2.gz VBPXRVBTTMSMMJ-KFWWJZLASA-N 2 2 295.427 0.720 20 0 CCADLP CC(C)=CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001079526857 820423477 /nfs/dbraw/zinc/42/34/77/820423477.db2.gz VBPXRVBTTMSMMJ-KFWWJZLASA-N 2 2 295.427 0.720 20 0 CCADLP COC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001080852432 820646157 /nfs/dbraw/zinc/64/61/57/820646157.db2.gz CZCPIKYQFLBTFT-JTNHKYCSSA-N 2 2 294.399 0.732 20 0 CCADLP COC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001080852432 820646161 /nfs/dbraw/zinc/64/61/61/820646161.db2.gz CZCPIKYQFLBTFT-JTNHKYCSSA-N 2 2 294.399 0.732 20 0 CCADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)C12CCC[NH+]1CCC2 ZINC001118792382 820906371 /nfs/dbraw/zinc/90/63/71/820906371.db2.gz CWYYHTGKAMBXHK-LLVKDONJSA-N 2 2 260.341 0.552 20 0 CCADLP CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H](OC)C1 ZINC001082149859 820907967 /nfs/dbraw/zinc/90/79/67/820907967.db2.gz RZJHNKSTUJQDSJ-HKUMRIAESA-N 2 2 292.383 0.359 20 0 CCADLP CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H](OC)C1 ZINC001082149859 820907972 /nfs/dbraw/zinc/90/79/72/820907972.db2.gz RZJHNKSTUJQDSJ-HKUMRIAESA-N 2 2 292.383 0.359 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C[C@H]1[NH2+]CCO ZINC001082733855 821027744 /nfs/dbraw/zinc/02/77/44/821027744.db2.gz XJERHNFQLQXMME-NQBHXWOUSA-N 2 2 292.383 0.258 20 0 CCADLP O=C([C@@H]1[NH2+]C[C@@H]2C[C@@H]21)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001119067789 821046070 /nfs/dbraw/zinc/04/60/70/821046070.db2.gz NZTRPZJMYJYJFZ-GMXVVIOVSA-N 2 2 260.341 0.724 20 0 CCADLP O=C([C@@H]1[NH2+]C[C@@H]2C[C@@H]21)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001119067789 821046071 /nfs/dbraw/zinc/04/60/71/821046071.db2.gz NZTRPZJMYJYJFZ-GMXVVIOVSA-N 2 2 260.341 0.724 20 0 CCADLP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001082860966 821047593 /nfs/dbraw/zinc/04/75/93/821047593.db2.gz ZWSLIOOGAPJUFC-GRYCIOLGSA-N 2 2 294.399 0.505 20 0 CCADLP C[C@H](CC[NH2+]CCCF)NC(=O)Cn1cc[nH+]c1 ZINC001273211692 821155812 /nfs/dbraw/zinc/15/58/12/821155812.db2.gz BLBRPVWQMYAFAS-LLVKDONJSA-N 2 2 256.325 0.727 20 0 CCADLP CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001084466628 821293598 /nfs/dbraw/zinc/29/35/98/821293598.db2.gz ZWFGPZPFBQEAAC-UMVBOHGHSA-N 2 2 288.395 0.998 20 0 CCADLP CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001084466628 821293602 /nfs/dbraw/zinc/29/36/02/821293602.db2.gz ZWFGPZPFBQEAAC-UMVBOHGHSA-N 2 2 288.395 0.998 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001084866097 821415228 /nfs/dbraw/zinc/41/52/28/821415228.db2.gz ASSXWEFKJLDMMR-BFHYXJOUSA-N 2 2 292.383 0.451 20 0 CCADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCO)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001085232224 821630262 /nfs/dbraw/zinc/63/02/62/821630262.db2.gz RSQCLNMTTWIDSD-FDYHWXHSSA-N 2 2 292.383 0.523 20 0 CCADLP O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCO)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001085232224 821630266 /nfs/dbraw/zinc/63/02/66/821630266.db2.gz RSQCLNMTTWIDSD-FDYHWXHSSA-N 2 2 292.383 0.523 20 0 CCADLP C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001085374686 821673158 /nfs/dbraw/zinc/67/31/58/821673158.db2.gz DEBQOBMZFGPXJV-QJPTWQEYSA-N 2 2 280.372 0.350 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)O ZINC001085406303 821679192 /nfs/dbraw/zinc/67/91/92/821679192.db2.gz YXBIPSZIXWFKTL-RAIGVLPGSA-N 2 2 294.399 0.658 20 0 CCADLP COC(=O)[C@@H](Nc1cc(-n2cc[nH+]c2)ccn1)C(C)(C)[NH3+] ZINC001155370664 822136894 /nfs/dbraw/zinc/13/68/94/822136894.db2.gz OFPSNRGKFFHMLX-GFCCVEGCSA-N 2 2 289.339 0.958 20 0 CCADLP CCN(CC)c1cc(N(CC[NH3+])CCO)nc[nH+]1 ZINC001155952404 822283559 /nfs/dbraw/zinc/28/35/59/822283559.db2.gz GITCJHUHOZFOQD-UHFFFAOYSA-N 2 2 253.350 0.080 20 0 CCADLP Cc1nc(NC[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)cc[nH+]1 ZINC001108311593 822354688 /nfs/dbraw/zinc/35/46/88/822354688.db2.gz ILRJJCCBVDIEQQ-CMPLNLGQSA-N 2 2 277.372 0.796 20 0 CCADLP Cc1nc(NC[C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)cc[nH+]1 ZINC001108311593 822354697 /nfs/dbraw/zinc/35/46/97/822354697.db2.gz ILRJJCCBVDIEQQ-CMPLNLGQSA-N 2 2 277.372 0.796 20 0 CCADLP CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH]cc[nH+]1 ZINC001114215564 837475081 /nfs/dbraw/zinc/47/50/81/837475081.db2.gz ZEVMYNVTBMGTGI-JYAVWHMHSA-N 2 2 292.383 0.425 20 0 CCADLP CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH]cc[nH+]1 ZINC001114215564 837475084 /nfs/dbraw/zinc/47/50/84/837475084.db2.gz ZEVMYNVTBMGTGI-JYAVWHMHSA-N 2 2 292.383 0.425 20 0 CCADLP C[C@@H](F)CC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129891622 837575750 /nfs/dbraw/zinc/57/57/50/837575750.db2.gz PKIXTKJWUAZYEQ-GMTAPVOTSA-N 2 2 268.336 0.967 20 0 CCADLP C[C@@H](F)CC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129891622 837575756 /nfs/dbraw/zinc/57/57/56/837575756.db2.gz PKIXTKJWUAZYEQ-GMTAPVOTSA-N 2 2 268.336 0.967 20 0 CCADLP CC(C)C[C@H](C(=O)NCC[NH2+]C[C@@H](C)O)n1cc[nH+]c1 ZINC001130001265 837606195 /nfs/dbraw/zinc/60/61/95/837606195.db2.gz JAZHZPCVIFLWKQ-CHWSQXEVSA-N 2 2 282.388 0.557 20 0 CCADLP COC[C@@H]1CCCCN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001157922470 837701103 /nfs/dbraw/zinc/70/11/03/837701103.db2.gz OPUXMKMOLYAEGS-SFTQSGBHSA-N 2 2 267.373 0.236 20 0 CCADLP C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1[NH3+] ZINC001206058918 837706634 /nfs/dbraw/zinc/70/66/34/837706634.db2.gz YRGVIVVZRUQMIH-BXKDBHETSA-N 2 2 258.329 0.646 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1[NH3+] ZINC001206058918 837706643 /nfs/dbraw/zinc/70/66/43/837706643.db2.gz YRGVIVVZRUQMIH-BXKDBHETSA-N 2 2 258.329 0.646 20 0 CCADLP C[C@@]1(F)CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C[C@H]1F ZINC001157923491 837708712 /nfs/dbraw/zinc/70/87/12/837708712.db2.gz DXMLNAXOBSQZEE-ZTVLKNOQSA-N 2 2 273.327 0.235 20 0 CCADLP COCCC[NH2+]CCNC(=O)Cc1c[nH+]ccc1OC ZINC001130176694 837711232 /nfs/dbraw/zinc/71/12/32/837711232.db2.gz XZRBDQYATZDZCU-UHFFFAOYSA-N 2 2 281.356 0.375 20 0 CCADLP CC[C@H](C[NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)OC ZINC001130403909 837786574 /nfs/dbraw/zinc/78/65/74/837786574.db2.gz DQLWQHFYESMORY-GXTWGEPZSA-N 2 2 294.399 0.576 20 0 CCADLP O=C(NCC[NH2+]CCCF)[C@H]1CCn2cc[nH+]c2C1 ZINC001130481199 837804422 /nfs/dbraw/zinc/80/44/22/837804422.db2.gz MTCUKAYJGAFBOP-NSHDSACASA-N 2 2 268.336 0.511 20 0 CCADLP O=C(NCC[NH2+]CCF)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130481541 837805635 /nfs/dbraw/zinc/80/56/35/837805635.db2.gz VZKVLWXDNUGZHH-SNVBAGLBSA-N 2 2 254.309 0.121 20 0 CCADLP O=C(NCC[NH2+]C/C=C\Cl)[C@H]1CCc2[nH+]ccn2C1 ZINC001130480987 837806073 /nfs/dbraw/zinc/80/60/73/837806073.db2.gz IATITWNPLSIACJ-WYEHYUNLSA-N 2 2 282.775 0.904 20 0 CCADLP CC(C)C[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130490511 837811527 /nfs/dbraw/zinc/81/15/27/837811527.db2.gz DDKJGGRXLRTFME-GFCCVEGCSA-N 2 2 264.373 0.807 20 0 CCADLP CC[C@H](F)C[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130487599 837812319 /nfs/dbraw/zinc/81/23/19/837812319.db2.gz HXTBAEYQWWDRRJ-NEPJUHHUSA-N 2 2 282.363 0.899 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nnccc1Cl ZINC001169067346 836124510 /nfs/dbraw/zinc/12/45/10/836124510.db2.gz QOTZLHVHCZCXOH-SSDOTTSWSA-N 2 2 253.693 0.178 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2c(c1)[C@@H](O)CCO2 ZINC001169073867 836127129 /nfs/dbraw/zinc/12/71/29/836127129.db2.gz NKNYDSCCAGZMCJ-YGRLFVJLSA-N 2 2 289.335 0.550 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(CCC[NH3+])CC1)C2 ZINC001169102082 836132297 /nfs/dbraw/zinc/13/22/97/836132297.db2.gz WWVRQEDNRGMXFT-QDMKHBRRSA-N 3 2 266.433 0.578 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(CCC[NH3+])CC1)C2 ZINC001169102082 836132301 /nfs/dbraw/zinc/13/23/01/836132301.db2.gz WWVRQEDNRGMXFT-QDMKHBRRSA-N 3 2 266.433 0.578 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]CCC1CCOCC1 ZINC001169211334 836159987 /nfs/dbraw/zinc/15/99/87/836159987.db2.gz FBLXXVMCGUAGKA-UHFFFAOYSA-N 2 2 294.399 0.865 20 0 CCADLP CC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001169512521 836316852 /nfs/dbraw/zinc/31/68/52/836316852.db2.gz IHDJPDWPYCEGMW-KBPBESRZSA-N 2 2 253.390 0.927 20 0 CCADLP CC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001169512521 836316865 /nfs/dbraw/zinc/31/68/65/836316865.db2.gz IHDJPDWPYCEGMW-KBPBESRZSA-N 2 2 253.390 0.927 20 0 CCADLP CC(=O)N1CCC[C@@H](n2c[nH+]c(C)c2CC[NH3+])C1 ZINC001169573902 836362578 /nfs/dbraw/zinc/36/25/78/836362578.db2.gz JLUMLEDWXGGCRQ-GFCCVEGCSA-N 2 2 250.346 0.876 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNc1ccc(OC2C[NH2+]C2)cn1 ZINC001169659419 836413827 /nfs/dbraw/zinc/41/38/27/836413827.db2.gz FTUFCKZYEMOCMZ-LLVKDONJSA-N 2 2 278.356 0.175 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNc1ccc(OC2C[NH2+]C2)cn1 ZINC001169659419 836413833 /nfs/dbraw/zinc/41/38/33/836413833.db2.gz FTUFCKZYEMOCMZ-LLVKDONJSA-N 2 2 278.356 0.175 20 0 CCADLP c1cn(Cc2ccc(NC[C@@H]3COCC[NH2+]3)nc2)c[nH+]1 ZINC001170043899 836778853 /nfs/dbraw/zinc/77/88/53/836778853.db2.gz YFESZMHFGQWNGL-CYBMUJFWSA-N 2 2 273.340 0.727 20 0 CCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC001112910270 836960055 /nfs/dbraw/zinc/96/00/55/836960055.db2.gz FIAYPSQORFDQHT-CHWSQXEVSA-N 2 2 289.395 0.191 20 0 CCADLP C[C@@H]1CCC[C@H](C)N1C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157450888 837013285 /nfs/dbraw/zinc/01/32/85/837013285.db2.gz HKGJJEKFKJJYBY-CZXHOFHRSA-N 2 2 251.374 0.727 20 0 CCADLP CN(CC[NH3+])CCNc1cc(OC(F)F)cc[nH+]1 ZINC001170505305 837862426 /nfs/dbraw/zinc/86/24/26/837862426.db2.gz UBPRXLCPDKYFNC-UHFFFAOYSA-N 2 2 260.288 0.985 20 0 CCADLP CN(C)c1ccc(NCCOCCOCC[NH3+])[nH+]c1 ZINC001170511456 837900857 /nfs/dbraw/zinc/90/08/57/837900857.db2.gz VCRFKJHGTQXKOA-UHFFFAOYSA-N 2 2 268.361 0.551 20 0 CCADLP O=C(NCC[NH2+]Cc1cnon1)c1ccn2c[nH+]cc2c1 ZINC001130874995 837944245 /nfs/dbraw/zinc/94/42/45/837944245.db2.gz YKFMBZQXZUREIH-UHFFFAOYSA-N 2 2 286.295 0.237 20 0 CCADLP COc1nc(Cl)cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158203821 837980127 /nfs/dbraw/zinc/98/01/27/837980127.db2.gz QNRPITJWYUBTLQ-SSDOTTSWSA-N 2 2 283.719 0.186 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nccc2ccoc21 ZINC001158204939 837984051 /nfs/dbraw/zinc/98/40/51/837984051.db2.gz WOYFZHCFYVUBQX-SNVBAGLBSA-N 2 2 258.281 0.876 20 0 CCADLP C[C@H](F)CC[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131653893 838163260 /nfs/dbraw/zinc/16/32/60/838163260.db2.gz XJARCMVPRQXEEC-NSHDSACASA-N 2 2 270.352 0.807 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]CC[C@@H]1CCCO1 ZINC001131652218 838168279 /nfs/dbraw/zinc/16/82/79/838168279.db2.gz DKVCOLDLVGRORX-ZDUSSCGKSA-N 2 2 294.399 0.628 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)CCn1cc[nH+]c1)c1cnccn1 ZINC001132081788 838312656 /nfs/dbraw/zinc/31/26/56/838312656.db2.gz DQPYABPTUNOKRO-GFCCVEGCSA-N 2 2 288.355 0.530 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]Cc1ccns1 ZINC001132082930 838315284 /nfs/dbraw/zinc/31/52/84/838315284.db2.gz YZAQCIUTGSLLMN-UHFFFAOYSA-N 2 2 279.369 0.636 20 0 CCADLP COCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132090516 838319036 /nfs/dbraw/zinc/31/90/36/838319036.db2.gz HWVPQMBZWJGHEQ-OCCSQVGLSA-N 2 2 294.399 0.958 20 0 CCADLP COCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132090516 838319044 /nfs/dbraw/zinc/31/90/44/838319044.db2.gz HWVPQMBZWJGHEQ-OCCSQVGLSA-N 2 2 294.399 0.958 20 0 CCADLP COCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132090516 838319054 /nfs/dbraw/zinc/31/90/54/838319054.db2.gz HWVPQMBZWJGHEQ-OCCSQVGLSA-N 2 2 294.399 0.958 20 0 CCADLP COCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132090516 838319059 /nfs/dbraw/zinc/31/90/59/838319059.db2.gz HWVPQMBZWJGHEQ-OCCSQVGLSA-N 2 2 294.399 0.958 20 0 CCADLP C[NH+](C)CCCC(=O)NCC[NH2+]Cc1ncccn1 ZINC001133040285 838538947 /nfs/dbraw/zinc/53/89/47/838538947.db2.gz JZHUORPHHBYPPP-UHFFFAOYSA-N 2 2 265.361 0.024 20 0 CCADLP Cc1noc([C@H](C)[NH2+]CCNC(=O)CCC[NH+](C)C)n1 ZINC001133051724 838542895 /nfs/dbraw/zinc/54/28/95/838542895.db2.gz MLURCSMMJLOTII-JTQLQIEISA-N 2 2 283.376 0.487 20 0 CCADLP Cc1noc([C@H](C)[NH2+]CCNC(=O)C2CC[NH+](C)CC2)n1 ZINC001133286014 838587795 /nfs/dbraw/zinc/58/77/95/838587795.db2.gz SNXLKJZFULUXGW-JTQLQIEISA-N 2 2 295.387 0.487 20 0 CCADLP C[NH+](C)CCC(=O)NCC[NH2+]Cc1nc2c(o1)CCCC2 ZINC001133287038 838589486 /nfs/dbraw/zinc/58/94/86/838589486.db2.gz DEPNHLRGBNRAAS-UHFFFAOYSA-N 2 2 294.399 0.711 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)C[N@H+]2CC[C@H](C)C2)nc1 ZINC001133845789 838746365 /nfs/dbraw/zinc/74/63/65/838746365.db2.gz NHBZATNLNDTPFL-LBPRGKRZSA-N 2 2 291.399 0.333 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)C[N@@H+]2CC[C@H](C)C2)nc1 ZINC001133845789 838746372 /nfs/dbraw/zinc/74/63/72/838746372.db2.gz NHBZATNLNDTPFL-LBPRGKRZSA-N 2 2 291.399 0.333 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)o1 ZINC001133865262 838756362 /nfs/dbraw/zinc/75/63/62/838756362.db2.gz BLDUHDBCGHOPPE-WCQYABFASA-N 2 2 294.399 0.641 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)o1 ZINC001133865262 838756364 /nfs/dbraw/zinc/75/63/64/838756364.db2.gz BLDUHDBCGHOPPE-WCQYABFASA-N 2 2 294.399 0.641 20 0 CCADLP CC[C@@H](C(=O)NCC[NH2+]Cc1nncs1)[NH+](C)C ZINC001133965964 838795381 /nfs/dbraw/zinc/79/53/81/838795381.db2.gz RHGSSRSNKDLNKY-VIFPVBQESA-N 2 2 271.390 0.084 20 0 CCADLP CC[C@@H](C(=O)NCC[NH2+][C@H](C)c1nnc(C)o1)[NH+](C)C ZINC001133966006 838796588 /nfs/dbraw/zinc/79/65/88/838796588.db2.gz SYKYKXBEGWIWMY-KOLCDFICSA-N 2 2 283.376 0.485 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]C/C=C/Cl ZINC001134045890 838841298 /nfs/dbraw/zinc/84/12/98/838841298.db2.gz QKSHQWOKMPMAGX-WUNPDAOYSA-N 2 2 282.775 0.982 20 0 CCADLP CC[C@H](F)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134049572 838844490 /nfs/dbraw/zinc/84/44/90/838844490.db2.gz JAMRLMOWTMKRKX-QJPTWQEYSA-N 2 2 282.363 0.978 20 0 CCADLP C[C@@H](CC(=O)NCC[NH2+]CCOCC1CC1)n1cc[nH+]c1 ZINC001134518036 839001301 /nfs/dbraw/zinc/00/13/01/839001301.db2.gz ZYHLTJBJDWUYNG-ZDUSSCGKSA-N 2 2 294.399 0.967 20 0 CCADLP C[C@H](C[C@H](C)[NH2+]CCCO)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134549147 839004384 /nfs/dbraw/zinc/00/43/84/839004384.db2.gz NVBBIDATGKCKOJ-NWDGAFQWSA-N 2 2 282.388 0.598 20 0 CCADLP C[C@H](C[C@H](C)[NH2+]CCCO)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134549147 839004392 /nfs/dbraw/zinc/00/43/92/839004392.db2.gz NVBBIDATGKCKOJ-NWDGAFQWSA-N 2 2 282.388 0.598 20 0 CCADLP COC(=O)c1cc2[nH+]c[nH]c2c(N[C@H]2C[NH2+]C[C@H]2CO)c1 ZINC001170778259 839106882 /nfs/dbraw/zinc/10/68/82/839106882.db2.gz GDLJDERVKNOJFE-CABZTGNLSA-N 2 2 290.323 0.342 20 0 CCADLP C[C@@H](C[C@H](C)[NH2+]CCCO)NC(=O)CCc1[nH+]ccn1C ZINC001135055413 839143177 /nfs/dbraw/zinc/14/31/77/839143177.db2.gz DZWXIMRAXGPZCG-STQMWFEESA-N 2 2 296.415 0.608 20 0 CCADLP COCCCC[NH2+]CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001135071175 839149536 /nfs/dbraw/zinc/14/95/36/839149536.db2.gz AXDMLNFVLWRIQV-GFCCVEGCSA-N 2 2 282.388 0.721 20 0 CCADLP COCCCC[NH2+]CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001135071175 839149544 /nfs/dbraw/zinc/14/95/44/839149544.db2.gz AXDMLNFVLWRIQV-GFCCVEGCSA-N 2 2 282.388 0.721 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]C[C@H]1CCCOC1 ZINC001135080093 839156114 /nfs/dbraw/zinc/15/61/14/839156114.db2.gz KVPWJJHIEJLMEI-CHWSQXEVSA-N 2 2 294.399 0.721 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]C[C@H]1CCCOC1 ZINC001135080093 839156119 /nfs/dbraw/zinc/15/61/19/839156119.db2.gz KVPWJJHIEJLMEI-CHWSQXEVSA-N 2 2 294.399 0.721 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CC[C@@H]1CCOC1 ZINC001135080442 839159041 /nfs/dbraw/zinc/15/90/41/839159041.db2.gz UCYOQBPZMXPLBB-CHWSQXEVSA-N 2 2 294.399 0.721 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]CC[C@@H]1CCOC1 ZINC001135080442 839159045 /nfs/dbraw/zinc/15/90/45/839159045.db2.gz UCYOQBPZMXPLBB-CHWSQXEVSA-N 2 2 294.399 0.721 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C[NH2+]CCCO ZINC001185370443 844410460 /nfs/dbraw/zinc/41/04/60/844410460.db2.gz KRKUJESMVVIGQR-OLZOCXBDSA-N 2 2 294.399 0.409 20 0 CCADLP CC1CC[NH+](CC(=O)NCC[NH2+]Cc2csnn2)CC1 ZINC001135706701 839368233 /nfs/dbraw/zinc/36/82/33/839368233.db2.gz ACYCHBOXBHRRAJ-UHFFFAOYSA-N 2 2 297.428 0.476 20 0 CCADLP CCOC1CC(C[NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001135757851 839391319 /nfs/dbraw/zinc/39/13/19/839391319.db2.gz SDMSTMPBTVYWBJ-UHFFFAOYSA-N 2 2 280.372 0.473 20 0 CCADLP COCCCC[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135757580 839393314 /nfs/dbraw/zinc/39/33/14/839393314.db2.gz GMKDXQLQENPPQB-UHFFFAOYSA-N 2 2 254.334 0.085 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]C[C@H]1C[C@]12CCOC2 ZINC001135758097 839396053 /nfs/dbraw/zinc/39/60/53/839396053.db2.gz YIUHJJUHSRPQFB-RISCZKNCSA-N 2 2 278.356 0.085 20 0 CCADLP CC[C@]([NH3+])(CO)Nc1ccc(-n2cc[nH+]c2C)nn1 ZINC001170856359 839435632 /nfs/dbraw/zinc/43/56/32/839435632.db2.gz ACLPILXTZALFIB-GFCCVEGCSA-N 2 2 262.317 0.440 20 0 CCADLP CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001135948934 839475507 /nfs/dbraw/zinc/47/55/07/839475507.db2.gz FYPIGYREPLYGSO-WDEREUQCSA-N 2 2 252.362 0.855 20 0 CCADLP CC[N@@H+]1CC[C@H]1C(=O)NCCCN1CC[NH+](CC)CC1 ZINC001136216672 839567273 /nfs/dbraw/zinc/56/72/73/839567273.db2.gz UYEUITYRTMMWHF-AWEZNQCLSA-N 2 2 282.432 0.224 20 0 CCADLP CC[N@H+]1CC[C@H]1C(=O)NCCCN1CC[NH+](CC)CC1 ZINC001136216672 839567281 /nfs/dbraw/zinc/56/72/81/839567281.db2.gz UYEUITYRTMMWHF-AWEZNQCLSA-N 2 2 282.432 0.224 20 0 CCADLP CCN1CC[NH+](CCCNC(=O)[C@@H]2CC[N@@H+]2CC)CC1 ZINC001136216672 839567286 /nfs/dbraw/zinc/56/72/86/839567286.db2.gz UYEUITYRTMMWHF-AWEZNQCLSA-N 2 2 282.432 0.224 20 0 CCADLP CCN1CC[NH+](CCCNC(=O)[C@@H]2CC[N@H+]2CC)CC1 ZINC001136216672 839567291 /nfs/dbraw/zinc/56/72/91/839567291.db2.gz UYEUITYRTMMWHF-AWEZNQCLSA-N 2 2 282.432 0.224 20 0 CCADLP CCCOC[C@H](O)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001245995681 839578251 /nfs/dbraw/zinc/57/82/51/839578251.db2.gz DOOBKKYDNATLHD-GMTAPVOTSA-N 2 2 284.322 0.904 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](C[C@@H](O)c2ccc(F)c(F)c2)C[C@H]1O ZINC001246026231 839584403 /nfs/dbraw/zinc/58/44/03/839584403.db2.gz ZTZHCZDCKXXBIY-ZWKOPEQDSA-N 2 2 272.295 0.250 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](C[C@@H](O)c2ccc(F)c(F)c2)C[C@H]1O ZINC001246026231 839584407 /nfs/dbraw/zinc/58/44/07/839584407.db2.gz ZTZHCZDCKXXBIY-ZWKOPEQDSA-N 2 2 272.295 0.250 20 0 CCADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C[NH2+]CCF ZINC001185789837 844459228 /nfs/dbraw/zinc/45/92/28/844459228.db2.gz VVEMDUGNGWAHAV-QWHCGFSZSA-N 2 2 282.363 0.927 20 0 CCADLP CC(C)C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001090728204 839758591 /nfs/dbraw/zinc/75/85/91/839758591.db2.gz QHCOKQYEXBOMCV-ZIAGYGMSSA-N 2 2 294.399 0.170 20 0 CCADLP CC(C)C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001090728204 839758595 /nfs/dbraw/zinc/75/85/95/839758595.db2.gz QHCOKQYEXBOMCV-ZIAGYGMSSA-N 2 2 294.399 0.170 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001185969200 844480252 /nfs/dbraw/zinc/48/02/52/844480252.db2.gz URXMYQQAJWPMCS-QWHCGFSZSA-N 2 2 280.372 0.671 20 0 CCADLP O=C(C[N@H+]1CC[C@@H](O)C1)Nc1ccnn1-c1cc[nH+]cc1 ZINC001186034578 844486371 /nfs/dbraw/zinc/48/63/71/844486371.db2.gz BBTCBLGLHUPTRX-GFCCVEGCSA-N 2 2 287.323 0.272 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H](O)C1)Nc1ccnn1-c1cc[nH+]cc1 ZINC001186034578 844486373 /nfs/dbraw/zinc/48/63/73/844486373.db2.gz BBTCBLGLHUPTRX-GFCCVEGCSA-N 2 2 287.323 0.272 20 0 CCADLP CCN(C(=O)[C@@H]([NH3+])Cc1cccc(OC)c1)C1C[NH+](C)C1 ZINC001144937078 840204416 /nfs/dbraw/zinc/20/44/16/840204416.db2.gz JDYGAURCMGJBCM-HNNXBMFYSA-N 2 2 291.395 0.728 20 0 CCADLP C[C@H]1C[C@@H]([NH+]2CCN(CCC[NH+](C)C)CC2)CC[NH2+]1 ZINC001246823942 840265484 /nfs/dbraw/zinc/26/54/84/840265484.db2.gz HVDAKAPQDMJNIV-GJZGRUSLSA-N 3 2 268.449 0.696 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CC[C@@H]1CCCCO1 ZINC001149122818 840328301 /nfs/dbraw/zinc/32/83/01/840328301.db2.gz CFMXGBCZRBAOGV-ZDUSSCGKSA-N 2 2 294.399 0.926 20 0 CCADLP CC[N@H+](C)CCC(=O)NCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001146711064 840351461 /nfs/dbraw/zinc/35/14/61/840351461.db2.gz NYQVCOBUBFDFTR-JTQLQIEISA-N 2 2 283.376 0.487 20 0 CCADLP CC[N@@H+](C)CCC(=O)NCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001146711064 840351472 /nfs/dbraw/zinc/35/14/72/840351472.db2.gz NYQVCOBUBFDFTR-JTQLQIEISA-N 2 2 283.376 0.487 20 0 CCADLP CC[N@H+](C)CCC(=O)NCC[NH2+]Cc1nnc(C(C)C)o1 ZINC001146718828 840352105 /nfs/dbraw/zinc/35/21/05/840352105.db2.gz GWLIJVVJAMHUSN-UHFFFAOYSA-N 2 2 297.403 0.741 20 0 CCADLP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1nnc(C(C)C)o1 ZINC001146718828 840352123 /nfs/dbraw/zinc/35/21/23/840352123.db2.gz GWLIJVVJAMHUSN-UHFFFAOYSA-N 2 2 297.403 0.741 20 0 CCADLP C[C@@H](C[C@H](C)[NH2+]Cc1ccon1)NC(=O)Cn1cc[nH+]c1 ZINC001146773330 840362261 /nfs/dbraw/zinc/36/22/61/840362261.db2.gz WUQOJOCMLNZYNL-RYUDHWBXSA-N 2 2 291.355 0.944 20 0 CCADLP CCOC1CC(C[NH2+]CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001147872049 840707982 /nfs/dbraw/zinc/70/79/82/840707982.db2.gz YTCQSMPYONQYST-UHFFFAOYSA-N 2 2 294.399 0.484 20 0 CCADLP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]Cc2ncccn2)C1 ZINC001147878443 840713017 /nfs/dbraw/zinc/71/30/17/840713017.db2.gz YWHDBIRYWSGUDE-LBPRGKRZSA-N 2 2 277.372 0.024 20 0 CCADLP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+]Cc2ncccn2)C1 ZINC001147878443 840713036 /nfs/dbraw/zinc/71/30/36/840713036.db2.gz YWHDBIRYWSGUDE-LBPRGKRZSA-N 2 2 277.372 0.024 20 0 CCADLP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]Cc2nncs2)C1 ZINC001147884140 840714442 /nfs/dbraw/zinc/71/44/42/840714442.db2.gz AJWQBRLLQKIVJT-JTQLQIEISA-N 2 2 283.401 0.086 20 0 CCADLP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+]Cc2nncs2)C1 ZINC001147884140 840714446 /nfs/dbraw/zinc/71/44/46/840714446.db2.gz AJWQBRLLQKIVJT-JTQLQIEISA-N 2 2 283.401 0.086 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]Cc1cccnc1 ZINC001147900297 840720404 /nfs/dbraw/zinc/72/04/04/840720404.db2.gz LRQFGLGYIJXEDU-UHFFFAOYSA-N 2 2 273.340 0.264 20 0 CCADLP COCCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186576649 844570178 /nfs/dbraw/zinc/57/01/78/844570178.db2.gz XNBHMYDCHCCNQC-LLVKDONJSA-N 2 2 266.345 0.179 20 0 CCADLP CCc1noc(C[NH2+]CCNC(=O)CCCC[NH+](C)C)n1 ZINC001148365153 840794643 /nfs/dbraw/zinc/79/46/43/840794643.db2.gz JJLFKSAPYVNTRB-UHFFFAOYSA-N 2 2 297.403 0.570 20 0 CCADLP CCC[N@H+](C)CCC(=O)NCC[NH2+]Cc1ncccn1 ZINC001148571117 840840142 /nfs/dbraw/zinc/84/01/42/840840142.db2.gz WRSFHRGPKZEUQV-UHFFFAOYSA-N 2 2 279.388 0.414 20 0 CCADLP CCC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1ncccn1 ZINC001148571117 840840151 /nfs/dbraw/zinc/84/01/51/840840151.db2.gz WRSFHRGPKZEUQV-UHFFFAOYSA-N 2 2 279.388 0.414 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH2+][C@H](C)c1nnc(C)o1 ZINC001148643208 840861654 /nfs/dbraw/zinc/86/16/54/840861654.db2.gz UZJYNVUMOBCGSX-SNVBAGLBSA-N 2 2 283.376 0.487 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@H](C)c1nnc(C)o1 ZINC001148643208 840861662 /nfs/dbraw/zinc/86/16/62/840861662.db2.gz UZJYNVUMOBCGSX-SNVBAGLBSA-N 2 2 283.376 0.487 20 0 CCADLP CC[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092199243 841001487 /nfs/dbraw/zinc/00/14/87/841001487.db2.gz HUTOOVAGEVPCED-DOMZBBRYSA-N 2 2 276.384 0.763 20 0 CCADLP CC[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@]2(C)C1 ZINC001092199243 841001496 /nfs/dbraw/zinc/00/14/96/841001496.db2.gz HUTOOVAGEVPCED-DOMZBBRYSA-N 2 2 276.384 0.763 20 0 CCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@H+](CCF)C2 ZINC001092318524 841006631 /nfs/dbraw/zinc/00/66/31/841006631.db2.gz CTMZEECDVJTUQM-OCCSQVGLSA-N 2 2 280.347 0.633 20 0 CCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@@H+](CCF)C2 ZINC001092318524 841006638 /nfs/dbraw/zinc/00/66/38/841006638.db2.gz CTMZEECDVJTUQM-OCCSQVGLSA-N 2 2 280.347 0.633 20 0 CCADLP CC1(C)CC[NH2+]CCN1C(=O)CCn1cc[nH+]c1 ZINC000712547815 841107243 /nfs/dbraw/zinc/10/72/43/841107243.db2.gz BQWFLNAROGTVJG-UHFFFAOYSA-N 2 2 250.346 0.874 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000713262777 841127433 /nfs/dbraw/zinc/12/74/33/841127433.db2.gz JPKRDRHEJZODTD-OUCADQQQSA-N 2 2 262.357 0.907 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@H]1CC(=O)N(CC2CC2)C1)C1CC1 ZINC000716803737 841682889 /nfs/dbraw/zinc/68/28/89/841682889.db2.gz HFXSPRIWEBEQSD-GXTWGEPZSA-N 2 2 281.400 0.042 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CC(=O)N(CC2CC2)C1)C1CC1 ZINC000716803737 841682891 /nfs/dbraw/zinc/68/28/91/841682891.db2.gz HFXSPRIWEBEQSD-GXTWGEPZSA-N 2 2 281.400 0.042 20 0 CCADLP Nc1cn2ccc(Nc3nccnc3C[NH3+])cc2[nH+]1 ZINC001171449803 841697158 /nfs/dbraw/zinc/69/71/58/841697158.db2.gz KCBCEBLPOWRFSC-UHFFFAOYSA-N 2 2 255.285 0.909 20 0 CCADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](Cc1cc[nH]n1)CC2 ZINC000096075250 841829267 /nfs/dbraw/zinc/82/92/67/841829267.db2.gz PDRJBQMTXSIHJW-UHFFFAOYSA-N 2 2 291.399 0.586 20 0 CCADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](Cc1cc[nH]n1)CC2 ZINC000096075250 841829284 /nfs/dbraw/zinc/82/92/84/841829284.db2.gz PDRJBQMTXSIHJW-UHFFFAOYSA-N 2 2 291.399 0.586 20 0 CCADLP COCCC[NH+]1CCC([NH+]2CCN(C3COC3)CC2)CC1 ZINC001172249251 841908955 /nfs/dbraw/zinc/90/89/55/841908955.db2.gz HPZXDDAGXFHEJG-UHFFFAOYSA-N 2 2 297.443 0.504 20 0 CCADLP COC(=O)[C@@H]1CCC[C@@H](NC(=[NH2+])N2CC[NH+](C)CC2)C1 ZINC001172592253 841939124 /nfs/dbraw/zinc/93/91/24/841939124.db2.gz GNEXJJZKTJFMCW-VXGBXAGGSA-N 2 2 282.388 0.490 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]CC[C@@H]1CCCO1 ZINC001174682182 842198796 /nfs/dbraw/zinc/19/87/96/842198796.db2.gz FAWVHRSWAQBCRO-ZDUSSCGKSA-N 2 2 294.399 0.926 20 0 CCADLP C[C@H](CCCC[NH2+]CCCO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175463010 842251301 /nfs/dbraw/zinc/25/13/01/842251301.db2.gz WOSVWVWWUNZJGQ-GFCCVEGCSA-N 2 2 282.388 0.599 20 0 CCADLP CC[N@@H+]1CCO[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]21 ZINC001177081991 842487279 /nfs/dbraw/zinc/48/72/79/842487279.db2.gz TYQQBTGNELICSB-KGLIPLIRSA-N 2 2 295.427 0.650 20 0 CCADLP CC[N@H+]1CCO[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]21 ZINC001177081991 842487282 /nfs/dbraw/zinc/48/72/82/842487282.db2.gz TYQQBTGNELICSB-KGLIPLIRSA-N 2 2 295.427 0.650 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]Cc1ccccn1 ZINC001177401186 842574766 /nfs/dbraw/zinc/57/47/66/842574766.db2.gz RUKADWPFDDLERS-UHFFFAOYSA-N 2 2 273.340 0.574 20 0 CCADLP Cc1noc(C)c1C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177405942 842578319 /nfs/dbraw/zinc/57/83/19/842578319.db2.gz SNEBGPMZFNADQN-UHFFFAOYSA-N 2 2 291.355 0.784 20 0 CCADLP Cc1ncc(C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)o1 ZINC001177406474 842580397 /nfs/dbraw/zinc/58/03/97/842580397.db2.gz YLXNIZJQCDROSQ-UHFFFAOYSA-N 2 2 277.328 0.476 20 0 CCADLP CCOCC[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177414839 842588214 /nfs/dbraw/zinc/58/82/14/842588214.db2.gz IRUMGYLETJJZRJ-UHFFFAOYSA-N 2 2 254.334 0.016 20 0 CCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21 ZINC001177998341 842721222 /nfs/dbraw/zinc/72/12/22/842721222.db2.gz PHJFFGRAMKYMBT-VXGBXAGGSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21 ZINC001177998341 842721228 /nfs/dbraw/zinc/72/12/28/842721228.db2.gz PHJFFGRAMKYMBT-VXGBXAGGSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@@H+]1CCC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]21 ZINC001177998340 842721426 /nfs/dbraw/zinc/72/14/26/842721426.db2.gz PHJFFGRAMKYMBT-RYUDHWBXSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@H+]1CCC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]21 ZINC001177998340 842721429 /nfs/dbraw/zinc/72/14/29/842721429.db2.gz PHJFFGRAMKYMBT-RYUDHWBXSA-N 2 2 262.357 0.895 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCCCCC[NH2+]CCO ZINC001180158240 843113975 /nfs/dbraw/zinc/11/39/75/843113975.db2.gz GRCQQLFUCGOVSI-UHFFFAOYSA-N 2 2 282.388 0.519 20 0 CCADLP Cc1cc(N(C(N)=[NH2+])C(=O)[C@@H](C)[NH+]2CCCC2)n[nH]1 ZINC001180586427 843219989 /nfs/dbraw/zinc/21/99/89/843219989.db2.gz SDNYTCWQKHIMGO-SECBINFHSA-N 2 2 264.333 0.429 20 0 CCADLP CC(C)N(C(=O)[C@@H]1C[N@H+](C)CCO1)C(C)(C)C[NH3+] ZINC001180763631 843296547 /nfs/dbraw/zinc/29/65/47/843296547.db2.gz XHLFABBWNZWELP-NSHDSACASA-N 2 2 257.378 0.291 20 0 CCADLP CC(C)N(C(=O)[C@@H]1C[N@@H+](C)CCO1)C(C)(C)C[NH3+] ZINC001180763631 843296554 /nfs/dbraw/zinc/29/65/54/843296554.db2.gz XHLFABBWNZWELP-NSHDSACASA-N 2 2 257.378 0.291 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+](CCC(C)(C)O)CC1)[NH+](C)C ZINC001180861500 843324377 /nfs/dbraw/zinc/32/43/77/843324377.db2.gz CKCWMRTWEOZIBU-LBPRGKRZSA-N 2 2 271.405 0.242 20 0 CCADLP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H](C)[NH+](C)C ZINC001180866344 843331786 /nfs/dbraw/zinc/33/17/86/843331786.db2.gz MLCGJSNSCBVZBN-JTQLQIEISA-N 3 2 257.382 0.000 20 0 CCADLP C[C@@H](C(=O)N[C@@H](C[NH+]1CCOCC1)C(C)(C)C)[NH+](C)C ZINC001180866866 843332876 /nfs/dbraw/zinc/33/28/76/843332876.db2.gz XVAGYDZMRJPLNK-STQMWFEESA-N 2 2 285.432 0.800 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)C23CC[NH+](CC2)CC3)c1 ZINC001181553466 843525386 /nfs/dbraw/zinc/52/53/86/843525386.db2.gz ZMWFOUBMCQLETR-UHFFFAOYSA-N 2 2 262.357 0.565 20 0 CCADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CC[NH+](C(C)C)C1 ZINC001181977518 843656456 /nfs/dbraw/zinc/65/64/56/843656456.db2.gz LPIGAAGABVFAFU-CHWSQXEVSA-N 2 2 297.399 0.032 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CC[NH+](C(C)C)C1 ZINC001181977518 843656459 /nfs/dbraw/zinc/65/64/59/843656459.db2.gz LPIGAAGABVFAFU-CHWSQXEVSA-N 2 2 297.399 0.032 20 0 CCADLP COC(=O)[C@H]1C[NH+](C)CCN1C(=O)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001181977518 843656465 /nfs/dbraw/zinc/65/64/65/843656465.db2.gz LPIGAAGABVFAFU-CHWSQXEVSA-N 2 2 297.399 0.032 20 0 CCADLP COC(=O)[C@H]1C[NH+](C)CCN1C(=O)[C@@H]1CC[N@H+](C(C)C)C1 ZINC001181977518 843656470 /nfs/dbraw/zinc/65/64/70/843656470.db2.gz LPIGAAGABVFAFU-CHWSQXEVSA-N 2 2 297.399 0.032 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001182000145 843671836 /nfs/dbraw/zinc/67/18/36/843671836.db2.gz IEBOFIKVIAOSOB-CYBMUJFWSA-N 2 2 281.400 0.309 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001182000145 843671843 /nfs/dbraw/zinc/67/18/43/843671843.db2.gz IEBOFIKVIAOSOB-CYBMUJFWSA-N 2 2 281.400 0.309 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001182018340 843696235 /nfs/dbraw/zinc/69/62/35/843696235.db2.gz VQFRLCJTFVKGNH-CQSZACIVSA-N 2 2 292.383 0.488 20 0 CCADLP CC[C@H](C[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1)OC ZINC001182220602 843757170 /nfs/dbraw/zinc/75/71/70/843757170.db2.gz MHVDWRGFCCBFKI-CHWSQXEVSA-N 2 2 294.399 0.958 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)C[NH+]2CCCC2)s1 ZINC001151098067 843759222 /nfs/dbraw/zinc/75/92/22/843759222.db2.gz TYUWHTTWTASNSX-SNVBAGLBSA-N 2 2 297.428 0.709 20 0 CCADLP O=C(NCCn1cc[nH+]c1)[C@@H]1CCC[N@@H+]1CC1CC1 ZINC001182553868 843852521 /nfs/dbraw/zinc/85/25/21/843852521.db2.gz DPWYWDAGCBSVML-ZDUSSCGKSA-N 2 2 262.357 0.874 20 0 CCADLP O=C(NCCn1cc[nH+]c1)[C@@H]1CCC[N@H+]1CC1CC1 ZINC001182553868 843852527 /nfs/dbraw/zinc/85/25/27/843852527.db2.gz DPWYWDAGCBSVML-ZDUSSCGKSA-N 2 2 262.357 0.874 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2cc(F)cc3c2OCCC3)C[C@@H]1O ZINC001206530368 843869812 /nfs/dbraw/zinc/86/98/12/843869812.db2.gz GXLJQBWBHZEODL-JSGCOSHPSA-N 2 2 280.343 0.902 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(F)cc3c2OCCC3)C[C@@H]1O ZINC001206530368 843869821 /nfs/dbraw/zinc/86/98/21/843869821.db2.gz GXLJQBWBHZEODL-JSGCOSHPSA-N 2 2 280.343 0.902 20 0 CCADLP COCCCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001183116416 843963512 /nfs/dbraw/zinc/96/35/12/843963512.db2.gz PGXZOUCIVJSRBQ-CQSZACIVSA-N 2 2 294.399 0.959 20 0 CCADLP COCCCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001183116416 843963518 /nfs/dbraw/zinc/96/35/18/843963518.db2.gz PGXZOUCIVJSRBQ-CQSZACIVSA-N 2 2 294.399 0.959 20 0 CCADLP COC(=O)c1cnc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)s1 ZINC001205255037 843965559 /nfs/dbraw/zinc/96/55/59/843965559.db2.gz FFYICAIZRSLTDP-CYBMUJFWSA-N 2 2 299.396 0.605 20 0 CCADLP COC(=O)c1cnc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)s1 ZINC001205255037 843965562 /nfs/dbraw/zinc/96/55/62/843965562.db2.gz FFYICAIZRSLTDP-CYBMUJFWSA-N 2 2 299.396 0.605 20 0 CCADLP CCOCCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001183116025 843967303 /nfs/dbraw/zinc/96/73/03/843967303.db2.gz LULQQLQORYKTBL-CQSZACIVSA-N 2 2 294.399 0.959 20 0 CCADLP CCOCCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001183116025 843967305 /nfs/dbraw/zinc/96/73/05/843967305.db2.gz LULQQLQORYKTBL-CQSZACIVSA-N 2 2 294.399 0.959 20 0 CCADLP CC(C)[C@H](C(=O)N1CCc2[nH+]ccn2CC1)[NH+](C)C ZINC001183363238 844007972 /nfs/dbraw/zinc/00/79/72/844007972.db2.gz VAPDTFFODXJKQY-CYBMUJFWSA-N 2 2 264.373 0.854 20 0 CCADLP CC[C@H](C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1)OC ZINC001187420949 844722299 /nfs/dbraw/zinc/72/22/99/844722299.db2.gz UGMVDMCBPVHAIY-CHWSQXEVSA-N 2 2 294.399 0.876 20 0 CCADLP CC[C@H](F)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001188369421 844874837 /nfs/dbraw/zinc/87/48/37/844874837.db2.gz ZJAJYRALFLEPCK-NWDGAFQWSA-N 2 2 268.336 0.822 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N1CC[C@@H]([NH2+]CCF)C1 ZINC001188353745 844882108 /nfs/dbraw/zinc/88/21/08/844882108.db2.gz JRNXBKRYNNXGLM-GFCCVEGCSA-N 2 2 268.336 0.823 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C1)c1ccccc1-n1cc[nH+]c1 ZINC001190107711 845322660 /nfs/dbraw/zinc/32/26/60/845322660.db2.gz VDKQYUQNIVFQCM-NSHDSACASA-N 2 2 256.309 0.964 20 0 CCADLP COCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001192767211 845905362 /nfs/dbraw/zinc/90/53/62/845905362.db2.gz OMOCNBOLTYICDV-JSGCOSHPSA-N 2 2 294.399 0.767 20 0 CCADLP COCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001192767211 845905365 /nfs/dbraw/zinc/90/53/65/845905365.db2.gz OMOCNBOLTYICDV-JSGCOSHPSA-N 2 2 294.399 0.767 20 0 CCADLP COCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001192767211 845905371 /nfs/dbraw/zinc/90/53/71/845905371.db2.gz OMOCNBOLTYICDV-JSGCOSHPSA-N 2 2 294.399 0.767 20 0 CCADLP COCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001192767211 845905375 /nfs/dbraw/zinc/90/53/75/845905375.db2.gz OMOCNBOLTYICDV-JSGCOSHPSA-N 2 2 294.399 0.767 20 0 CCADLP CCOCC[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001193463473 846082773 /nfs/dbraw/zinc/08/27/73/846082773.db2.gz VAASAFAZIFQGEK-CYBMUJFWSA-N 2 2 294.399 0.532 20 0 CCADLP CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001193463473 846082779 /nfs/dbraw/zinc/08/27/79/846082779.db2.gz VAASAFAZIFQGEK-CYBMUJFWSA-N 2 2 294.399 0.532 20 0 CCADLP C[C@H](O)CCC[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194449845 846291294 /nfs/dbraw/zinc/29/12/94/846291294.db2.gz XOFBIXOTKBRDGC-KBPBESRZSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@H](O)CCC[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194449845 846291303 /nfs/dbraw/zinc/29/13/03/846291303.db2.gz XOFBIXOTKBRDGC-KBPBESRZSA-N 2 2 294.399 0.577 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cnoc2)C1 ZINC001205731500 846643896 /nfs/dbraw/zinc/64/38/96/846643896.db2.gz HWGPMPKATCPSKN-GFCCVEGCSA-N 2 2 266.345 0.317 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cnoc2)C1 ZINC001205731500 846643902 /nfs/dbraw/zinc/64/39/02/846643902.db2.gz HWGPMPKATCPSKN-GFCCVEGCSA-N 2 2 266.345 0.317 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N1CCC[N@@H+](CCCO)CC1 ZINC001198357564 847102767 /nfs/dbraw/zinc/10/27/67/847102767.db2.gz BUKGEKWWWSVGNA-UHFFFAOYSA-N 2 2 294.399 0.580 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N1CCC[N@H+](CCCO)CC1 ZINC001198357564 847102777 /nfs/dbraw/zinc/10/27/77/847102777.db2.gz BUKGEKWWWSVGNA-UHFFFAOYSA-N 2 2 294.399 0.580 20 0 CCADLP CCOCC[NH2+]C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001200291255 847599558 /nfs/dbraw/zinc/59/95/58/847599558.db2.gz JMYVSBFRBZEIGH-UHFFFAOYSA-N 2 2 294.399 0.959 20 0 CCADLP C[NH+]1CCN(c2cc(Nc3c[nH+]ncc3N)cc[nH+]2)CC1 ZINC001201654249 847803746 /nfs/dbraw/zinc/80/37/46/847803746.db2.gz JVIGHYWARGJPJP-UHFFFAOYSA-N 3 2 285.355 0.949 20 0 CCADLP Cc1cc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCC[N@H+]2C)no1 ZINC001273909397 847820594 /nfs/dbraw/zinc/82/05/94/847820594.db2.gz FAIGEOIZCVXCBU-XGACYXMMSA-N 2 2 292.383 0.839 20 0 CCADLP Cc1cc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCC[N@@H+]2C)no1 ZINC001273909397 847820601 /nfs/dbraw/zinc/82/06/01/847820601.db2.gz FAIGEOIZCVXCBU-XGACYXMMSA-N 2 2 292.383 0.839 20 0 CCADLP COC[C@@H](C)[NH2+]C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001201893163 847824045 /nfs/dbraw/zinc/82/40/45/847824045.db2.gz QAJIUJIKYCDKBM-CYBMUJFWSA-N 2 2 294.399 0.889 20 0 CCADLP COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]c[nH+]1 ZINC001114387105 848032159 /nfs/dbraw/zinc/03/21/59/848032159.db2.gz JPSWJIDDVOEELE-IMRBUKKESA-N 2 2 278.356 0.035 20 0 CCADLP COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]c[nH+]1 ZINC001114387105 848032161 /nfs/dbraw/zinc/03/21/61/848032161.db2.gz JPSWJIDDVOEELE-IMRBUKKESA-N 2 2 278.356 0.035 20 0 CCADLP COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]c[nH]1 ZINC001114387105 848032166 /nfs/dbraw/zinc/03/21/66/848032166.db2.gz JPSWJIDDVOEELE-IMRBUKKESA-N 2 2 278.356 0.035 20 0 CCADLP COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]c[nH]1 ZINC001114387105 848032169 /nfs/dbraw/zinc/03/21/69/848032169.db2.gz JPSWJIDDVOEELE-IMRBUKKESA-N 2 2 278.356 0.035 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@H+](CC)CCN1CCOCC1 ZINC001253187382 848152977 /nfs/dbraw/zinc/15/29/77/848152977.db2.gz DCEBHWPXHSTHRM-OAHLLOKOSA-N 2 2 287.448 0.343 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+](CC)CCN1CCOCC1 ZINC001253187382 848152983 /nfs/dbraw/zinc/15/29/83/848152983.db2.gz DCEBHWPXHSTHRM-OAHLLOKOSA-N 2 2 287.448 0.343 20 0 CCADLP O=C(CC[NH2+]CC1CC1)NCCCn1cc[nH+]c1 ZINC000717258109 848183641 /nfs/dbraw/zinc/18/36/41/848183641.db2.gz OFQNYQYPSODQTQ-UHFFFAOYSA-N 2 2 250.346 0.779 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCC[C@]12CCN(Cc1c[nH+]cn1C)C2=O ZINC001274051379 848325294 /nfs/dbraw/zinc/32/52/94/848325294.db2.gz FHXHRXUJTCGCKK-IUODEOHRSA-N 2 2 292.383 0.368 20 0 CCADLP C[C@@H](O)C[N@H+]1CCC[C@]12CCN(Cc1c[nH+]cn1C)C2=O ZINC001274051379 848325301 /nfs/dbraw/zinc/32/53/01/848325301.db2.gz FHXHRXUJTCGCKK-IUODEOHRSA-N 2 2 292.383 0.368 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001274054277 848328325 /nfs/dbraw/zinc/32/83/25/848328325.db2.gz YJYNDDKSUSLYDI-WFASDCNBSA-N 2 2 292.383 0.225 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001274054277 848328330 /nfs/dbraw/zinc/32/83/30/848328330.db2.gz YJYNDDKSUSLYDI-WFASDCNBSA-N 2 2 292.383 0.225 20 0 CCADLP CC[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001275079002 848628810 /nfs/dbraw/zinc/62/88/10/848628810.db2.gz GPIYNCMOJXEVKA-ZNMIVQPWSA-N 2 2 293.411 0.402 20 0 CCADLP CC[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001275079002 848628817 /nfs/dbraw/zinc/62/88/17/848628817.db2.gz GPIYNCMOJXEVKA-ZNMIVQPWSA-N 2 2 293.411 0.402 20 0 CCADLP c1cn(CCN2C[C@H]3C[C@@H](C2)[N@H+](C[C@H]2CCOC2)C3)c[nH+]1 ZINC001275172695 848656051 /nfs/dbraw/zinc/65/60/51/848656051.db2.gz STTUZONRJROYOT-OAGGEKHMSA-N 2 2 290.411 0.926 20 0 CCADLP c1cn(CCN2C[C@H]3C[C@@H](C2)[N@@H+](C[C@H]2CCOC2)C3)c[nH+]1 ZINC001275172695 848656053 /nfs/dbraw/zinc/65/60/53/848656053.db2.gz STTUZONRJROYOT-OAGGEKHMSA-N 2 2 290.411 0.926 20 0 CCADLP C[C@@H](C[NH2+]CC[C@@H]1CCOC1)NC(=O)CCn1cc[nH+]c1 ZINC001275251544 848676999 /nfs/dbraw/zinc/67/69/99/848676999.db2.gz OXUAMDWWTLTKFH-UONOGXRCSA-N 2 2 294.399 0.794 20 0 CCADLP CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001275542967 848754682 /nfs/dbraw/zinc/75/46/82/848754682.db2.gz XNLBKZHUKZYKCW-WDEREUQCSA-N 2 2 252.362 0.855 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@H+](C)CCCF ZINC001275944372 848871546 /nfs/dbraw/zinc/87/15/46/848871546.db2.gz FCUXHPQUJCZKEX-JTQLQIEISA-N 2 2 256.325 0.748 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@@H+](C)CCCF ZINC001275944372 848871551 /nfs/dbraw/zinc/87/15/51/848871551.db2.gz FCUXHPQUJCZKEX-JTQLQIEISA-N 2 2 256.325 0.748 20 0 CCADLP C[C@@H]1C[C@H]1C[N@@H+]1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001276034340 848899723 /nfs/dbraw/zinc/89/97/23/848899723.db2.gz YQGUHRPEKYMXKB-QXSJWSMHSA-N 2 2 290.411 0.924 20 0 CCADLP C[C@@H]1C[C@H]1C[N@H+]1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001276034340 848899728 /nfs/dbraw/zinc/89/97/28/848899728.db2.gz YQGUHRPEKYMXKB-QXSJWSMHSA-N 2 2 290.411 0.924 20 0 CCADLP Cc1c(C[NH+]2CC3(CCN3CC[NH+](C)C)C2)cnn1C ZINC001276198402 848959102 /nfs/dbraw/zinc/95/91/02/848959102.db2.gz VVTIZQJYFGHZCP-UHFFFAOYSA-N 2 2 277.416 0.550 20 0 CCADLP Cc1nc(N(C)CCNC(=O)CC[NH+](C)C)c(C)c(C)[nH+]1 ZINC001100299658 848991017 /nfs/dbraw/zinc/99/10/17/848991017.db2.gz RATCSEOJZPGTEJ-UHFFFAOYSA-N 2 2 293.415 0.906 20 0 CCADLP C[NH+](C)Cc1cnc(C[NH2+]CCOCCCO)s1 ZINC000353021973 849071362 /nfs/dbraw/zinc/07/13/62/849071362.db2.gz UEAQLBMZTLPLJM-UHFFFAOYSA-N 2 2 273.402 0.693 20 0 CCADLP CO[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1 ZINC001114652059 849346548 /nfs/dbraw/zinc/34/65/48/849346548.db2.gz GQWCEUMRAYPHSE-CXTNEJHOSA-N 2 2 292.383 0.355 20 0 CCADLP CO[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1 ZINC001114652059 849346555 /nfs/dbraw/zinc/34/65/55/849346555.db2.gz GQWCEUMRAYPHSE-CXTNEJHOSA-N 2 2 292.383 0.355 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H](O)CO[C@H](C)COC ZINC000300256576 849364000 /nfs/dbraw/zinc/36/40/00/849364000.db2.gz DGSZNRPPLGEQKI-FRRDWIJNSA-N 2 2 260.378 0.083 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H](O)CO[C@H](C)COC ZINC000300256576 849364007 /nfs/dbraw/zinc/36/40/07/849364007.db2.gz DGSZNRPPLGEQKI-FRRDWIJNSA-N 2 2 260.378 0.083 20 0 CCADLP CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001037178749 849375475 /nfs/dbraw/zinc/37/54/75/849375475.db2.gz MYXDDJQADPRLGI-RYUDHWBXSA-N 2 2 250.346 0.778 20 0 CCADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ncccn1 ZINC001276335336 849427019 /nfs/dbraw/zinc/42/70/19/849427019.db2.gz QVYHWAAOANNBRZ-KBPBESRZSA-N 2 2 275.400 0.687 20 0 CCADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ncccn1 ZINC001276335336 849427026 /nfs/dbraw/zinc/42/70/26/849427026.db2.gz QVYHWAAOANNBRZ-KBPBESRZSA-N 2 2 275.400 0.687 20 0 CCADLP Cc1cc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c(C)nn1 ZINC000720593466 849496397 /nfs/dbraw/zinc/49/63/97/849496397.db2.gz YAXWXDMNUDETLG-OAHLLOKOSA-N 2 2 275.400 0.573 20 0 CCADLP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720809872 849541728 /nfs/dbraw/zinc/54/17/28/849541728.db2.gz BIEBKHGVRPMJLX-KZVDOYCCSA-N 2 2 253.390 0.831 20 0 CCADLP CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720809872 849541734 /nfs/dbraw/zinc/54/17/34/849541734.db2.gz BIEBKHGVRPMJLX-KZVDOYCCSA-N 2 2 253.390 0.831 20 0 CCADLP COCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC001114888646 849574824 /nfs/dbraw/zinc/57/48/24/849574824.db2.gz LIRRTZUBIJLOJN-NHAGDIPZSA-N 2 2 292.383 0.425 20 0 CCADLP COCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC001114888646 849574829 /nfs/dbraw/zinc/57/48/29/849574829.db2.gz LIRRTZUBIJLOJN-NHAGDIPZSA-N 2 2 292.383 0.425 20 0 CCADLP CC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1[NH2+]CCO ZINC001037969243 849614016 /nfs/dbraw/zinc/61/40/16/849614016.db2.gz WCLBMXMOJGCSSB-TZMCWYRMSA-N 2 2 294.399 0.172 20 0 CCADLP OCC[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000381298688 849751359 /nfs/dbraw/zinc/75/13/59/849751359.db2.gz BPVINOCSCVKIKM-INIZCTEOSA-N 2 2 278.396 0.938 20 0 CCADLP OCC[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000381298688 849751363 /nfs/dbraw/zinc/75/13/63/849751363.db2.gz BPVINOCSCVKIKM-INIZCTEOSA-N 2 2 278.396 0.938 20 0 CCADLP O=C(NC[C@@H]1CC[N@H+]1CCCO)[C@H]1CCn2c[nH+]cc2C1 ZINC001038409990 849884915 /nfs/dbraw/zinc/88/49/15/849884915.db2.gz BVSLTRWVRJSHFR-STQMWFEESA-N 2 2 292.383 0.018 20 0 CCADLP O=C(NC[C@@H]1CC[N@@H+]1CCCO)[C@H]1CCn2c[nH+]cc2C1 ZINC001038409990 849884926 /nfs/dbraw/zinc/88/49/26/849884926.db2.gz BVSLTRWVRJSHFR-STQMWFEESA-N 2 2 292.383 0.018 20 0 CCADLP COCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001038715420 849994599 /nfs/dbraw/zinc/99/45/99/849994599.db2.gz FYBDXJKAYHMKAQ-YNEHKIRRSA-N 2 2 292.383 0.361 20 0 CCADLP COCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001038715420 849994605 /nfs/dbraw/zinc/99/46/05/849994605.db2.gz FYBDXJKAYHMKAQ-YNEHKIRRSA-N 2 2 292.383 0.361 20 0 CCADLP Cn1cc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2CC[NH+](C)C2)cn1 ZINC001039005356 850116236 /nfs/dbraw/zinc/11/62/36/850116236.db2.gz FDVAFWFPHFCTDY-KGLIPLIRSA-N 2 2 291.399 0.062 20 0 CCADLP Cn1cc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2CC[NH+](C)C2)cn1 ZINC001039005356 850116245 /nfs/dbraw/zinc/11/62/45/850116245.db2.gz FDVAFWFPHFCTDY-KGLIPLIRSA-N 2 2 291.399 0.062 20 0 CCADLP Cn1cc(C[NH+]2CC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001039005356 850116248 /nfs/dbraw/zinc/11/62/48/850116248.db2.gz FDVAFWFPHFCTDY-KGLIPLIRSA-N 2 2 291.399 0.062 20 0 CCADLP Cn1cc(C[NH+]2CC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001039005356 850116252 /nfs/dbraw/zinc/11/62/52/850116252.db2.gz FDVAFWFPHFCTDY-KGLIPLIRSA-N 2 2 291.399 0.062 20 0 CCADLP C[C@H]1C[C@H]([NH2+]Cc2cnc3n2CCOC3)CC[N@@H+]1C ZINC000722820194 850160063 /nfs/dbraw/zinc/16/00/63/850160063.db2.gz HYGDBEBZLQUATO-NWDGAFQWSA-N 2 2 264.373 0.986 20 0 CCADLP C[C@H]1C[C@H]([NH2+]Cc2cnc3n2CCOC3)CC[N@H+]1C ZINC000722820194 850160068 /nfs/dbraw/zinc/16/00/68/850160068.db2.gz HYGDBEBZLQUATO-NWDGAFQWSA-N 2 2 264.373 0.986 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001043232488 850839875 /nfs/dbraw/zinc/83/98/75/850839875.db2.gz HXMCDTUJWHEGAZ-UHFFFAOYSA-N 2 2 288.351 0.737 20 0 CCADLP CN(C(=O)c1ccn2c[nH+]cc2c1)C1C[NH+](CCCO)C1 ZINC001043232666 850840038 /nfs/dbraw/zinc/84/00/38/850840038.db2.gz POZIFIULICTSIK-UHFFFAOYSA-N 2 2 288.351 0.473 20 0 CCADLP C[C@@H](O)C[NH+]1CC(N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001043232776 850840161 /nfs/dbraw/zinc/84/01/61/850840161.db2.gz UWMKSTGLYMTDSQ-LLVKDONJSA-N 2 2 288.351 0.471 20 0 CCADLP COC[C@H](C)[NH+]1CC(N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001043875273 850953694 /nfs/dbraw/zinc/95/36/94/850953694.db2.gz KBXHBPXGRDLSAU-STQMWFEESA-N 2 2 283.416 0.648 20 0 CCADLP COC[C@H](C)[NH+]1CC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001043875273 850953697 /nfs/dbraw/zinc/95/36/97/850953697.db2.gz KBXHBPXGRDLSAU-STQMWFEESA-N 2 2 283.416 0.648 20 0 CCADLP C[C@@H](C(=O)N(C)C1C[NH+](CCCO)C1)[NH+]1CCCCCC1 ZINC001044004794 850982884 /nfs/dbraw/zinc/98/28/84/850982884.db2.gz QKJBQIYXVNRULC-AWEZNQCLSA-N 2 2 297.443 0.776 20 0 CCADLP CN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1C[NH+](CCO)C1 ZINC001044189099 851038414 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C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC[C@H]1[NH3+] ZINC001118790159 856444090 /nfs/dbraw/zinc/44/40/90/856444090.db2.gz OQFNEIKSCNOESP-GRYCIOLGSA-N 2 2 262.357 0.641 20 0 CCADLP CC[C@H]1CN(C(=O)NCc2c[nH+]cn2C)CC[C@H]1[NH3+] ZINC001119419760 856675660 /nfs/dbraw/zinc/67/56/60/856675660.db2.gz JIUSTAKHKQQWEL-CMPLNLGQSA-N 2 2 265.361 0.689 20 0 CCADLP C[C@H](C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1)n1cc[nH+]c1 ZINC001119502756 856709426 /nfs/dbraw/zinc/70/94/26/856709426.db2.gz BCVQMDFDJBOWCH-FRRDWIJNSA-N 2 2 262.357 0.854 20 0 CCADLP C[C@H](C(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1)n1cc[nH+]c1 ZINC001119502756 856709433 /nfs/dbraw/zinc/70/94/33/856709433.db2.gz BCVQMDFDJBOWCH-FRRDWIJNSA-N 2 2 262.357 0.854 20 0 CCADLP CCO[C@H](CNC(=O)[C@H](C)n1cc[nH+]c1)C[NH+](C)C ZINC001119902360 856915142 /nfs/dbraw/zinc/91/51/42/856915142.db2.gz QAYXBVULAPYTKG-NWDGAFQWSA-N 2 2 268.361 0.527 20 0 CCADLP Cc1cc(C[NH2+]C2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)no1 ZINC001392956164 912287084 /nfs/dbraw/zinc/28/70/84/912287084.db2.gz CYNYMVFJDIYZET-GFCCVEGCSA-N 2 2 292.383 0.673 20 0 CCADLP Cc1cc(C[NH2+]C2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)no1 ZINC001392956164 912287099 /nfs/dbraw/zinc/28/70/99/912287099.db2.gz CYNYMVFJDIYZET-GFCCVEGCSA-N 2 2 292.383 0.673 20 0 CCADLP CN(CCC[N@H+](C)Cc1cnon1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001393645973 912695957 /nfs/dbraw/zinc/69/59/57/912695957.db2.gz VQKRABJRRFQKDY-LBPRGKRZSA-N 2 2 295.387 0.302 20 0 CCADLP CN(CCC[N@@H+](C)Cc1cnon1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001393645973 912695974 /nfs/dbraw/zinc/69/59/74/912695974.db2.gz VQKRABJRRFQKDY-LBPRGKRZSA-N 2 2 295.387 0.302 20 0 CCADLP CN(CCC[NH+](C)Cc1cnon1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001393645973 912695992 /nfs/dbraw/zinc/69/59/92/912695992.db2.gz VQKRABJRRFQKDY-LBPRGKRZSA-N 2 2 295.387 0.302 20 0 CCADLP CN(CCC[NH+](C)Cc1cnon1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001393645973 912696007 /nfs/dbraw/zinc/69/60/07/912696007.db2.gz VQKRABJRRFQKDY-LBPRGKRZSA-N 2 2 295.387 0.302 20 0 CCADLP CC(C)[NH2+]CC1(NC(=O)CCn2cc[nH+]c2)CCOCC1 ZINC001393716727 912727510 /nfs/dbraw/zinc/72/75/10/912727510.db2.gz UCMJNNFVYAXNOM-UHFFFAOYSA-N 2 2 294.399 0.937 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001393860724 912794453 /nfs/dbraw/zinc/79/44/53/912794453.db2.gz JAEFMGAIJHHRCI-RYUDHWBXSA-N 2 2 280.372 0.304 20 0 CCADLP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1nnc(C)o1 ZINC001393983606 912898158 /nfs/dbraw/zinc/89/81/58/912898158.db2.gz DLYIWKTVDZHVQV-QWRGUYRKSA-N 2 2 297.403 0.703 20 0 CCADLP CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1nnc(C)o1 ZINC001393983606 912898174 /nfs/dbraw/zinc/89/81/74/912898174.db2.gz DLYIWKTVDZHVQV-QWRGUYRKSA-N 2 2 297.403 0.703 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NC[C@@H](C)[N@H+](C)CCCO ZINC001394077924 912981611 /nfs/dbraw/zinc/98/16/11/912981611.db2.gz YZSFXWJJLNARRB-GFCCVEGCSA-N 2 2 295.383 0.452 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NC[C@@H](C)[N@@H+](C)CCCO ZINC001394077924 912981627 /nfs/dbraw/zinc/98/16/27/912981627.db2.gz YZSFXWJJLNARRB-GFCCVEGCSA-N 2 2 295.383 0.452 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)C[C@H]1CCCCO1 ZINC001394140516 913036467 /nfs/dbraw/zinc/03/64/67/913036467.db2.gz BVNRWQZTIGAZCU-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)C[C@H]1CCCCO1 ZINC001394140516 913036473 /nfs/dbraw/zinc/03/64/73/913036473.db2.gz BVNRWQZTIGAZCU-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)C[C@H]1CCCCO1 ZINC001394140513 913039297 /nfs/dbraw/zinc/03/92/97/913039297.db2.gz BVNRWQZTIGAZCU-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)C[C@H]1CCCCO1 ZINC001394140513 913039307 /nfs/dbraw/zinc/03/93/07/913039307.db2.gz BVNRWQZTIGAZCU-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C1C[NH+](C[C@H](C)O)C1 ZINC001394258357 913102631 /nfs/dbraw/zinc/10/26/31/913102631.db2.gz OMTDGJWDUCDPIP-VHSXEESVSA-N 2 2 280.372 0.078 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001394280998 913112454 /nfs/dbraw/zinc/11/24/54/913112454.db2.gz HDWOECCRDBBAIM-CHWSQXEVSA-N 2 2 294.399 0.481 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001394280998 913112461 /nfs/dbraw/zinc/11/24/61/913112461.db2.gz HDWOECCRDBBAIM-CHWSQXEVSA-N 2 2 294.399 0.481 20 0 CCADLP C[C@H](CN(C)C(=O)CCn1cc[nH+]c1)[NH2+]C[C@@H]1CCOC1 ZINC001394510733 913227988 /nfs/dbraw/zinc/22/79/88/913227988.db2.gz ZZAXLHGJJNYGSK-KGLIPLIRSA-N 2 2 294.399 0.746 20 0 CCADLP CC1CC(C[NH2+][C@@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001394633503 913330724 /nfs/dbraw/zinc/33/07/24/913330724.db2.gz QBKFWEXNXLUXLK-GCZXYKMCSA-N 2 2 280.372 0.065 20 0 CCADLP CO[C@H](C)C[N@@H+](C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001480885916 891575754 /nfs/dbraw/zinc/57/57/54/891575754.db2.gz ZXYLVDCBZIBATH-OLZOCXBDSA-N 2 2 294.399 0.528 20 0 CCADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)C[C@@H]1CCCCO1 ZINC001481019965 892064505 /nfs/dbraw/zinc/06/45/05/892064505.db2.gz DPNLCFOYVRWSAU-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)C[C@@H]1CCCCO1 ZINC001481019965 892064526 /nfs/dbraw/zinc/06/45/26/892064526.db2.gz DPNLCFOYVRWSAU-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP C[C@H](O)CCC[N@@H+]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001481116786 892188499 /nfs/dbraw/zinc/18/84/99/892188499.db2.gz NBRMTFFRHSDEMR-QWHCGFSZSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](O)CCC[N@H+]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001481116786 892188505 /nfs/dbraw/zinc/18/85/05/892188505.db2.gz NBRMTFFRHSDEMR-QWHCGFSZSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](CC(=O)N[C@@H]1CC[N@H+](CCO)C1)n1cc[nH+]c1 ZINC001481706628 893052336 /nfs/dbraw/zinc/05/23/36/893052336.db2.gz BRFCPGOBBOPLEG-NWDGAFQWSA-N 2 2 266.345 0.017 20 0 CCADLP C[C@@H](CC(=O)N[C@@H]1CC[N@@H+](CCO)C1)n1cc[nH+]c1 ZINC001481706628 893052358 /nfs/dbraw/zinc/05/23/58/893052358.db2.gz BRFCPGOBBOPLEG-NWDGAFQWSA-N 2 2 266.345 0.017 20 0 CCADLP CC1(C)C[NH2+]CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001344422035 893077449 /nfs/dbraw/zinc/07/74/49/893077449.db2.gz PTTBHVCQALQOFH-SNVBAGLBSA-N 2 2 250.346 0.847 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@H](C)C[NH2+]Cc1cnon1 ZINC001482124443 893413033 /nfs/dbraw/zinc/41/30/33/893413033.db2.gz YSVNZYKLHNFPOJ-SNVBAGLBSA-N 2 2 292.343 0.117 20 0 CCADLP C[C@H](C[NH2+]C[C@@H]1CCCCO1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001482374184 893928931 /nfs/dbraw/zinc/92/89/31/893928931.db2.gz LUQBFONCLPFLOR-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC([NH2+]C2COC2)C1 ZINC001364364002 894014923 /nfs/dbraw/zinc/01/49/23/894014923.db2.gz JASBPAPZNZONOZ-AWEZNQCLSA-N 2 2 281.400 0.306 20 0 CCADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC([NH2+]C2COC2)C1 ZINC001364364002 894014934 /nfs/dbraw/zinc/01/49/34/894014934.db2.gz JASBPAPZNZONOZ-AWEZNQCLSA-N 2 2 281.400 0.306 20 0 CCADLP [NH3+][C@@H]1CC[C@H](CNC(=O)NCCn2cc[nH+]c2)C1 ZINC001356548864 894184027 /nfs/dbraw/zinc/18/40/27/894184027.db2.gz UYNNGZHJFPWPDN-WDEREUQCSA-N 2 2 251.334 0.310 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC001357446953 894199740 /nfs/dbraw/zinc/19/97/40/894199740.db2.gz VCCTUJHXEAEWFM-VWYCJHECSA-N 2 2 250.346 0.784 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC001357446953 894199747 /nfs/dbraw/zinc/19/97/47/894199747.db2.gz VCCTUJHXEAEWFM-VWYCJHECSA-N 2 2 250.346 0.784 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)NC[C@H](O)C[NH2+]C(C)C)ccn12 ZINC001482728095 894548307 /nfs/dbraw/zinc/54/83/07/894548307.db2.gz DXPCIQPFSLLZPJ-CYBMUJFWSA-N 2 2 290.367 0.731 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1cnon1 ZINC001483197516 895081850 /nfs/dbraw/zinc/08/18/50/895081850.db2.gz LRWKPWAPSMKXTG-DGCLKSJQSA-N 2 2 295.387 0.538 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1cnon1 ZINC001483197516 895081866 /nfs/dbraw/zinc/08/18/66/895081866.db2.gz LRWKPWAPSMKXTG-DGCLKSJQSA-N 2 2 295.387 0.538 20 0 CCADLP CCOCC[N@@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001496848285 895084737 /nfs/dbraw/zinc/08/47/37/895084737.db2.gz QDFZZCQACNPNNS-UHFFFAOYSA-N 2 2 268.361 0.310 20 0 CCADLP CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001426096455 895220594 /nfs/dbraw/zinc/22/05/94/895220594.db2.gz DNXXDPHGUAUCNZ-QWHCGFSZSA-N 2 2 282.388 0.605 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001426096455 895220608 /nfs/dbraw/zinc/22/06/08/895220608.db2.gz DNXXDPHGUAUCNZ-QWHCGFSZSA-N 2 2 282.388 0.605 20 0 CCADLP O=C(C[NH+]1CCCC1)NC1(CCO)C[NH+](CCC2CC2)C1 ZINC001409759426 895365160 /nfs/dbraw/zinc/36/51/60/895365160.db2.gz XNWLGCYFSHQFTF-UHFFFAOYSA-N 2 2 295.427 0.435 20 0 CCADLP CC(C)[C@H](CCN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]CCO ZINC001409768294 895366861 /nfs/dbraw/zinc/36/68/61/895366861.db2.gz QEWXKUSWIBPTPL-ZDUSSCGKSA-N 2 2 282.388 0.407 20 0 CCADLP C[C@@H](C[N@H+](C)CCCF)NC(=O)Cc1c[nH+]cn1C ZINC001483406920 895546215 /nfs/dbraw/zinc/54/62/15/895546215.db2.gz JMWJASLPFBHDHT-NSHDSACASA-N 2 2 270.352 0.759 20 0 CCADLP C[C@@H](C[N@@H+](C)CCCF)NC(=O)Cc1c[nH+]cn1C ZINC001483406920 895546223 /nfs/dbraw/zinc/54/62/23/895546223.db2.gz JMWJASLPFBHDHT-NSHDSACASA-N 2 2 270.352 0.759 20 0 CCADLP COCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001483442582 895570477 /nfs/dbraw/zinc/57/04/77/895570477.db2.gz MXZKRJNIFXSFKX-JSGCOSHPSA-N 2 2 294.399 0.863 20 0 CCADLP COCC[NH2+]C1(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001483746977 895977546 /nfs/dbraw/zinc/97/75/46/895977546.db2.gz DBMNCOGXFWYQLD-LBPRGKRZSA-N 2 2 292.383 0.330 20 0 CCADLP CC(C)([NH3+])c1noc(C[NH+]2CCC(C[NH3+])CC2)n1 ZINC001326582133 914030395 /nfs/dbraw/zinc/03/03/95/914030395.db2.gz LWRZRHCNLNRRAP-UHFFFAOYSA-N 3 2 253.350 0.434 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[C@H]([NH2+]C[C@H](C)O)C1 ZINC001397104394 914045778 /nfs/dbraw/zinc/04/57/78/914045778.db2.gz ZDBUYJSNJIAWJY-XQHKEYJVSA-N 2 2 294.399 0.454 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[C@H]([NH2+]C[C@H](C)O)C1 ZINC001397104394 914045793 /nfs/dbraw/zinc/04/57/93/914045793.db2.gz ZDBUYJSNJIAWJY-XQHKEYJVSA-N 2 2 294.399 0.454 20 0 CCADLP CC(C)[NH2+]CCN(CCO)C(=O)CCn1cc[nH+]c1 ZINC001484490184 896436161 /nfs/dbraw/zinc/43/61/61/896436161.db2.gz SNVHTCFDOHQLFO-UHFFFAOYSA-N 2 2 268.361 0.092 20 0 CCADLP C[C@H]([NH2+]CCF)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001485642013 897163452 /nfs/dbraw/zinc/16/34/52/897163452.db2.gz AUPGRMBRZDDLFY-JQWIXIFHSA-N 2 2 284.335 0.127 20 0 CCADLP CCCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](OC)C1 ZINC001212385263 897784389 /nfs/dbraw/zinc/78/43/89/897784389.db2.gz KGQUTYSWJBKSGC-ZIAGYGMSSA-N 2 2 294.399 0.958 20 0 CCADLP CCCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](OC)C1 ZINC001212385263 897784399 /nfs/dbraw/zinc/78/43/99/897784399.db2.gz KGQUTYSWJBKSGC-ZIAGYGMSSA-N 2 2 294.399 0.958 20 0 CCADLP CCCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](OC)C1 ZINC001212385263 897784411 /nfs/dbraw/zinc/78/44/11/897784411.db2.gz KGQUTYSWJBKSGC-ZIAGYGMSSA-N 2 2 294.399 0.958 20 0 CCADLP CCCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](OC)C1 ZINC001212385263 897784421 /nfs/dbraw/zinc/78/44/21/897784421.db2.gz KGQUTYSWJBKSGC-ZIAGYGMSSA-N 2 2 294.399 0.958 20 0 CCADLP [NH3+]CCOCC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001326810161 914194192 /nfs/dbraw/zinc/19/41/92/914194192.db2.gz JZUJRVMSNRJMJA-UHFFFAOYSA-N 2 2 252.318 0.091 20 0 CCADLP [NH3+]CCOCC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001326810161 914194207 /nfs/dbraw/zinc/19/42/07/914194207.db2.gz JZUJRVMSNRJMJA-UHFFFAOYSA-N 2 2 252.318 0.091 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CC[C@@H](C)F)C[C@H]1O ZINC001078080916 898219979 /nfs/dbraw/zinc/21/99/79/898219979.db2.gz KQNIXXMFFQFYGZ-OASPWFOLSA-N 2 2 298.362 0.170 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CC[C@@H](C)F)C[C@H]1O ZINC001078080916 898219994 /nfs/dbraw/zinc/21/99/94/898219994.db2.gz KQNIXXMFFQFYGZ-OASPWFOLSA-N 2 2 298.362 0.170 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCCO[C@H](C[NH2+]CC2CC2)C1 ZINC001078492572 898393778 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COCC[N@@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H]1C ZINC001410937384 899635878 /nfs/dbraw/zinc/63/58/78/899635878.db2.gz XPXYJNHITHONGD-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001327089777 914367224 /nfs/dbraw/zinc/36/72/24/914367224.db2.gz NMCSQVTWAGFWOS-VHSXEESVSA-N 2 2 261.329 0.192 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001327089777 914367241 /nfs/dbraw/zinc/36/72/41/914367241.db2.gz NMCSQVTWAGFWOS-VHSXEESVSA-N 2 2 261.329 0.192 20 0 CCADLP C[C@@H](CC(=O)N[C@H]1CC[N@H+](CCO)[C@@H]1C)n1cc[nH+]c1 ZINC001397800202 914378787 /nfs/dbraw/zinc/37/87/87/914378787.db2.gz NICSXMAVRQWEPA-XQQFMLRXSA-N 2 2 280.372 0.406 20 0 CCADLP C[C@@H](CC(=O)N[C@H]1CC[N@@H+](CCO)[C@@H]1C)n1cc[nH+]c1 ZINC001397800202 914378800 /nfs/dbraw/zinc/37/88/00/914378800.db2.gz NICSXMAVRQWEPA-XQQFMLRXSA-N 2 2 280.372 0.406 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CCC[C@H]1CCOC1 ZINC001134397471 899834898 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CCADLP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC(=O)NC)C1 ZINC001398253331 914588131 /nfs/dbraw/zinc/58/81/31/914588131.db2.gz SMKQMXKLVDSZRJ-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC(=O)NC)C1 ZINC001398253331 914588144 /nfs/dbraw/zinc/58/81/44/914588144.db2.gz SMKQMXKLVDSZRJ-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CC(=O)NC)C1 ZINC001398253331 914588158 /nfs/dbraw/zinc/58/81/58/914588158.db2.gz SMKQMXKLVDSZRJ-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NC)C1 ZINC001398253331 914588166 /nfs/dbraw/zinc/58/81/66/914588166.db2.gz SMKQMXKLVDSZRJ-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001413490340 902991575 /nfs/dbraw/zinc/99/15/75/902991575.db2.gz NTWPNXYPTZYPHL-KWCYVHTRSA-N 2 2 292.383 0.256 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001413490340 902991583 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0.035 20 0 CCADLP CC(C)OCCC[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001490960634 903267499 /nfs/dbraw/zinc/26/74/99/903267499.db2.gz XUOOEUZQGJGZCM-HDJSIYSDSA-N 2 2 294.399 0.935 20 0 CCADLP COC[C@H](C)[NH2+][C@@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001491536073 903646267 /nfs/dbraw/zinc/64/62/67/903646267.db2.gz YRFHARLPAHIDDO-RYUDHWBXSA-N 2 2 282.388 0.482 20 0 CCADLP CC(C)OCC[NH2+]CC1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001282081985 904407183 /nfs/dbraw/zinc/40/71/83/904407183.db2.gz CBWQHZZRHFTUDT-UHFFFAOYSA-N 2 2 294.399 0.793 20 0 CCADLP C[C@H](O)CCC[NH2+]C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001283110545 904696124 /nfs/dbraw/zinc/69/61/24/904696124.db2.gz FPTFRNUTRKTEDI-IHRRRGAJSA-N 2 2 294.399 0.529 20 0 CCADLP C[N@H+](CCNC(=O)Cn1cc[nH+]c1)C[C@@H]1CCCCO1 ZINC001377277668 904745634 /nfs/dbraw/zinc/74/56/34/904745634.db2.gz RJSFHQWKYYDPQL-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP C[N@@H+](CCNC(=O)Cn1cc[nH+]c1)C[C@@H]1CCCCO1 ZINC001377277668 904745646 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C[N@@H+](CCO)C[C@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001377682136 905100801 /nfs/dbraw/zinc/10/08/01/905100801.db2.gz FXABHBSIINNXCB-GFCCVEGCSA-N 2 2 294.399 0.602 20 0 CCADLP CC[NH+](CC)C[C@@H](F)C(=O)NC1C[NH+]([C@@H](C)COC)C1 ZINC001377877982 905211604 /nfs/dbraw/zinc/21/16/04/905211604.db2.gz AGXNHYWXQMNXSC-WCQYABFASA-N 2 2 289.395 0.502 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@@H](C[NH2+]CCF)C1 ZINC001284243626 905218765 /nfs/dbraw/zinc/21/87/65/905218765.db2.gz HWGSZKFXLXJWKT-NEPJUHHUSA-N 2 2 268.336 0.727 20 0 CCADLP C[C@H]1CC[C@H](C[NH+]2CC(NC(=O)C[N@H+](C)C3CCC3)C2)O1 ZINC001377890777 905220323 /nfs/dbraw/zinc/22/03/23/905220323.db2.gz JXGSWYVDWWIAOV-SWLSCSKDSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@H]1CC[C@H](C[NH+]2CC(NC(=O)C[N@@H+](C)C3CCC3)C2)O1 ZINC001377890777 905220344 /nfs/dbraw/zinc/22/03/44/905220344.db2.gz JXGSWYVDWWIAOV-SWLSCSKDSA-N 2 2 295.427 0.839 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC(N)=O ZINC001378078642 905405462 /nfs/dbraw/zinc/40/54/62/905405462.db2.gz MGLSHJRABRLZHD-OLZOCXBDSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC(N)=O ZINC001378078642 905405467 /nfs/dbraw/zinc/40/54/67/905405467.db2.gz MGLSHJRABRLZHD-OLZOCXBDSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CC(N)=O ZINC001378078642 905405471 /nfs/dbraw/zinc/40/54/71/905405471.db2.gz MGLSHJRABRLZHD-OLZOCXBDSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC(N)=O ZINC001378078642 905405473 /nfs/dbraw/zinc/40/54/73/905405473.db2.gz MGLSHJRABRLZHD-OLZOCXBDSA-N 2 2 298.431 0.029 20 0 CCADLP CO[C@@H](C)C[NH+]1CC([C@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001378534342 905668131 /nfs/dbraw/zinc/66/81/31/905668131.db2.gz PDYKFGWCZAIWBU-STQMWFEESA-N 2 2 294.399 0.745 20 0 CCADLP CC(C)C[C@@H](C[NH2+]C[C@H](C)O)NC(=O)Cc1c[nH+]cn1C ZINC001378878559 905868509 /nfs/dbraw/zinc/86/85/09/905868509.db2.gz KNONXXFRWBBURK-STQMWFEESA-N 2 2 296.415 0.464 20 0 CCADLP C[C@@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]CCn1cccn1 ZINC001379276834 906110864 /nfs/dbraw/zinc/11/08/64/906110864.db2.gz TYTUJVSGVGGXBW-LBPRGKRZSA-N 2 2 290.371 0.285 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)CC[NH+](C)C ZINC001290903053 906156594 /nfs/dbraw/zinc/15/65/94/906156594.db2.gz YHTDDFDJVVOBQT-NWDGAFQWSA-N 2 2 252.362 0.976 20 0 CCADLP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1C[N@H+](C)CCN1C ZINC000829178700 906163482 /nfs/dbraw/zinc/16/34/82/906163482.db2.gz CUFKRUKKDJLJTJ-UKRRQHHQSA-N 3 2 268.449 0.552 20 0 CCADLP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC000829178700 906163492 /nfs/dbraw/zinc/16/34/92/906163492.db2.gz CUFKRUKKDJLJTJ-UKRRQHHQSA-N 3 2 268.449 0.552 20 0 CCADLP CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001379478517 906275028 /nfs/dbraw/zinc/27/50/28/906275028.db2.gz OOYRRGIQMRBOLQ-IJLUTSLNSA-N 2 2 280.372 0.000 20 0 CCADLP C[C@@H](C[NH2+]CC1CC1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001379521804 906320805 /nfs/dbraw/zinc/32/08/05/906320805.db2.gz YMDUPVDBIBPPKT-WCQYABFASA-N 2 2 276.384 0.950 20 0 CCADLP C[C@@H](C[NH2+]C[C@@H]1CCOC1)NC(=O)CCc1[nH+]ccn1C ZINC001379529127 906325553 /nfs/dbraw/zinc/32/55/53/906325553.db2.gz DTVNPHIZCZDIQK-STQMWFEESA-N 2 2 294.399 0.484 20 0 CCADLP CC(C)[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001379813446 906492165 /nfs/dbraw/zinc/49/21/65/906492165.db2.gz WVVZSVNTXAMSMW-OLZOCXBDSA-N 2 2 294.399 0.263 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001337536875 921267143 /nfs/dbraw/zinc/26/71/43/921267143.db2.gz YJKVQWMYNLSJGF-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@H]1COCC[NH+]1CC(C)C ZINC001380832411 906956763 /nfs/dbraw/zinc/95/67/63/906956763.db2.gz NVBYMAJYGBYHOX-AWEZNQCLSA-N 2 2 285.432 0.801 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@H]1COCC[NH+]1CC(C)C ZINC001380832411 906956776 /nfs/dbraw/zinc/95/67/76/906956776.db2.gz NVBYMAJYGBYHOX-AWEZNQCLSA-N 2 2 285.432 0.801 20 0 CCADLP CCC[NH+](C)CC(=O)NC[C@H]1COCC[N@@H+]1CC(C)C ZINC001380832411 906956789 /nfs/dbraw/zinc/95/67/89/906956789.db2.gz NVBYMAJYGBYHOX-AWEZNQCLSA-N 2 2 285.432 0.801 20 0 CCADLP CCC[NH+](C)CC(=O)NC[C@H]1COCC[N@H+]1CC(C)C ZINC001380832411 906956796 /nfs/dbraw/zinc/95/67/96/906956796.db2.gz NVBYMAJYGBYHOX-AWEZNQCLSA-N 2 2 285.432 0.801 20 0 CCADLP C[C@H](CC(=O)N[C@@H]1CCC[N@H+](CCO)CC1)n1cc[nH+]c1 ZINC001380937205 906999964 /nfs/dbraw/zinc/99/99/64/906999964.db2.gz YVJHVFRUMAEAMZ-ZIAGYGMSSA-N 2 2 294.399 0.797 20 0 CCADLP C[C@H](CC(=O)N[C@@H]1CCC[N@@H+](CCO)CC1)n1cc[nH+]c1 ZINC001380937205 906999983 /nfs/dbraw/zinc/99/99/83/906999983.db2.gz YVJHVFRUMAEAMZ-ZIAGYGMSSA-N 2 2 294.399 0.797 20 0 CCADLP C[C@@H]([NH2+]Cc1csnn1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001381417052 907199725 /nfs/dbraw/zinc/19/97/25/907199725.db2.gz IUCXTXOILNFWNR-ZJUUUORDSA-N 2 2 285.417 0.473 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@H+](C)CC[C@H]1CCCO1 ZINC001381593350 907317518 /nfs/dbraw/zinc/31/75/18/907317518.db2.gz ZGZYHAFCXUOVMJ-GXTWGEPZSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@@H+](C)CC[C@H]1CCCO1 ZINC001381593350 907317533 /nfs/dbraw/zinc/31/75/33/907317533.db2.gz ZGZYHAFCXUOVMJ-GXTWGEPZSA-N 2 2 294.399 0.958 20 0 CCADLP COCC[NH2+]C[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001491839261 907597979 /nfs/dbraw/zinc/59/79/79/907597979.db2.gz VKTPEXBWUJXZJU-KBPBESRZSA-N 2 2 294.399 0.919 20 0 CCADLP CC(C)C[NH2+]C[C@H](O)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001382413766 907728856 /nfs/dbraw/zinc/72/88/56/907728856.db2.gz SHTWHFDXYICTKI-ZDUSSCGKSA-N 2 2 296.415 0.418 20 0 CCADLP CN(C[C@@H](O)C[NH2+]CC1CC1)C(=O)CCc1c[nH+]cn1C ZINC001382443866 907744242 /nfs/dbraw/zinc/74/42/42/907744242.db2.gz ZVIPQGZRFWRROV-AWEZNQCLSA-N 2 2 294.399 0.172 20 0 CCADLP CCOCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001492419708 907914737 /nfs/dbraw/zinc/91/47/37/907914737.db2.gz LKRBEYXWGQFIQG-CHWSQXEVSA-N 2 2 294.399 0.608 20 0 CCADLP CCOCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001492419708 907914749 /nfs/dbraw/zinc/91/47/49/907914749.db2.gz LKRBEYXWGQFIQG-CHWSQXEVSA-N 2 2 294.399 0.608 20 0 CCADLP Cc1[nH]c(CNC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)c(C)[nH+]1 ZINC001303892744 908123860 /nfs/dbraw/zinc/12/38/60/908123860.db2.gz UGLXXWUXILNWSP-GXFFZTMASA-N 2 2 266.345 0.098 20 0 CCADLP Cc1[nH]c(CNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)c(C)[nH+]1 ZINC001303892744 908123864 /nfs/dbraw/zinc/12/38/64/908123864.db2.gz UGLXXWUXILNWSP-GXFFZTMASA-N 2 2 266.345 0.098 20 0 CCADLP C[NH+]1CCN(C(=O)CC[NH2+]Cc2nccs2)CC1 ZINC001308250119 908400545 /nfs/dbraw/zinc/40/05/45/908400545.db2.gz BBLLSIFTXHBVSX-UHFFFAOYSA-N 2 2 268.386 0.397 20 0 CCADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)NC3=O)n1C ZINC001308749802 908429807 /nfs/dbraw/zinc/42/98/07/908429807.db2.gz FGRFFGKAISJJCW-QMTHXVAHSA-N 2 2 291.355 0.196 20 0 CCADLP COC[C@H](C)[N@H+](C)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001316858185 908461786 /nfs/dbraw/zinc/46/17/86/908461786.db2.gz FJQUQFOJCZIBHT-NSHDSACASA-N 2 2 268.361 0.425 20 0 CCADLP COC[C@H](C)[N@@H+](C)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001316858185 908461791 /nfs/dbraw/zinc/46/17/91/908461791.db2.gz FJQUQFOJCZIBHT-NSHDSACASA-N 2 2 268.361 0.425 20 0 CCADLP [NH3+][C@H](CC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)C(F)F ZINC001340905205 908557354 /nfs/dbraw/zinc/55/73/54/908557354.db2.gz FMIDVCLRGYWXNX-QCLAVDOMSA-N 2 2 261.316 0.555 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NCCC[NH+](C)Cc2cnon2)C1 ZINC001316851434 908808351 /nfs/dbraw/zinc/80/83/51/908808351.db2.gz WOVQECUMTVQXIV-LBPRGKRZSA-N 2 2 295.387 0.350 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH+](C)Cc2cnon2)C1 ZINC001316851434 908808362 /nfs/dbraw/zinc/80/83/62/908808362.db2.gz WOVQECUMTVQXIV-LBPRGKRZSA-N 2 2 295.387 0.350 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)NCCC[N@H+](C)Cc2cnon2)C1 ZINC001316851434 908808372 /nfs/dbraw/zinc/80/83/72/908808372.db2.gz WOVQECUMTVQXIV-LBPRGKRZSA-N 2 2 295.387 0.350 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)NCCC[N@@H+](C)Cc2cnon2)C1 ZINC001316851434 908808381 /nfs/dbraw/zinc/80/83/81/908808381.db2.gz WOVQECUMTVQXIV-LBPRGKRZSA-N 2 2 295.387 0.350 20 0 CCADLP CCOCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001317066632 908956231 /nfs/dbraw/zinc/95/62/31/908956231.db2.gz ALLHHURJMJGRCL-ZDUSSCGKSA-N 2 2 294.399 0.580 20 0 CCADLP CCOCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317123760 908996644 /nfs/dbraw/zinc/99/66/44/908996644.db2.gz UVGVAWGYXMUYIG-PHIMTYICSA-N 2 2 266.345 0.226 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@@H]([NH2+]CCF)C1 ZINC001317121274 908996797 /nfs/dbraw/zinc/99/67/97/908996797.db2.gz KPJQTSLCQWJXGL-MXWKQRLJSA-N 2 2 268.336 0.795 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@@H]([NH2+]CCF)C1 ZINC001317121274 908996805 /nfs/dbraw/zinc/99/68/05/908996805.db2.gz KPJQTSLCQWJXGL-MXWKQRLJSA-N 2 2 268.336 0.795 20 0 CCADLP CC(C)[C@H](C(=O)N(C)CC[NH2+]Cc1nncs1)[NH+](C)C ZINC001317627975 909423363 /nfs/dbraw/zinc/42/33/63/909423363.db2.gz RAMMDNMNMQLVGE-GFCCVEGCSA-N 2 2 299.444 0.672 20 0 CCADLP CCCCOCC[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001318087539 909615880 /nfs/dbraw/zinc/61/58/80/909615880.db2.gz PUYVDMISRMNGBC-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP CCCCOCC[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001318087539 909615891 /nfs/dbraw/zinc/61/58/91/909615891.db2.gz PUYVDMISRMNGBC-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1CC[N@H+](CCCO)C1 ZINC001389513795 909946263 /nfs/dbraw/zinc/94/62/63/909946263.db2.gz BQZHYFBBUPXCGB-CYBMUJFWSA-N 2 2 280.372 0.236 20 0 CCADLP CCOCC[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001318987961 909947611 /nfs/dbraw/zinc/94/76/11/909947611.db2.gz OLAXPGPGGAEUAE-HDJSIYSDSA-N 2 2 294.399 0.937 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001389677419 910028900 /nfs/dbraw/zinc/02/89/00/910028900.db2.gz RCUCBPAKMLRRHD-MFKMUULPSA-N 2 2 280.372 0.472 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001389691302 910031778 /nfs/dbraw/zinc/03/17/78/910031778.db2.gz MRKHVOCEGJFFRP-YPMHNXCESA-N 2 2 280.372 0.402 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H](C)C[NH2+]C[C@@H](C)O ZINC001319576005 910211057 /nfs/dbraw/zinc/21/10/57/910211057.db2.gz KDVSWDYIOVSSCH-VHSXEESVSA-N 2 2 268.361 0.078 20 0 CCADLP COCC[NH2+][C@H](CNC(=O)Cc1c[nH+]cn1C)C(C)C ZINC001319955664 910374469 /nfs/dbraw/zinc/37/44/69/910374469.db2.gz GNEDMBMQVPYAIR-CYBMUJFWSA-N 2 2 282.388 0.339 20 0 CCADLP CN(CC[N@H+](C)CCCO)C(=O)CCn1cc[nH+]c1 ZINC001320029403 910423522 /nfs/dbraw/zinc/42/35/22/910423522.db2.gz YLIBNEXXHPCPQB-UHFFFAOYSA-N 2 2 268.361 0.046 20 0 CCADLP CN(CC[N@@H+](C)CCCO)C(=O)CCn1cc[nH+]c1 ZINC001320029403 910423546 /nfs/dbraw/zinc/42/35/46/910423546.db2.gz YLIBNEXXHPCPQB-UHFFFAOYSA-N 2 2 268.361 0.046 20 0 CCADLP COCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001320471517 910690321 /nfs/dbraw/zinc/69/03/21/910690321.db2.gz XYORGTPYYCYVTA-STQMWFEESA-N 2 2 294.399 0.576 20 0 CCADLP CCN(CC[NH2+]C[C@H](C)O)C(=O)c1cccc2[nH+]ccn21 ZINC001320791401 910867139 /nfs/dbraw/zinc/86/71/39/910867139.db2.gz LIONSIJLDLKBSD-LBPRGKRZSA-N 2 2 290.367 0.767 20 0 CCADLP CCN(CC[NH2+]Cc1ncccn1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001320922223 910941853 /nfs/dbraw/zinc/94/18/53/910941853.db2.gz RYKPXURRDUBLEQ-CYBMUJFWSA-N 2 2 291.399 0.366 20 0 CCADLP CCN(CC[NH2+]Cc1ncccn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001320922223 910941866 /nfs/dbraw/zinc/94/18/66/910941866.db2.gz RYKPXURRDUBLEQ-CYBMUJFWSA-N 2 2 291.399 0.366 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+](CCF)C2CC2)C1 ZINC001391195577 910954358 /nfs/dbraw/zinc/95/43/58/910954358.db2.gz FTEUWDQJIMCKKQ-ZDUSSCGKSA-N 2 2 287.379 0.257 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+](CCF)C2CC2)C1 ZINC001391195577 910954373 /nfs/dbraw/zinc/95/43/73/910954373.db2.gz FTEUWDQJIMCKKQ-ZDUSSCGKSA-N 2 2 287.379 0.257 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@H+](CCF)C2CC2)C1 ZINC001391195577 910954384 /nfs/dbraw/zinc/95/43/84/910954384.db2.gz FTEUWDQJIMCKKQ-ZDUSSCGKSA-N 2 2 287.379 0.257 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+](CCF)C2CC2)C1 ZINC001391195577 910954398 /nfs/dbraw/zinc/95/43/98/910954398.db2.gz FTEUWDQJIMCKKQ-ZDUSSCGKSA-N 2 2 287.379 0.257 20 0 CCADLP CCc1nnc([C@@H](C)[NH2+]CCN(C)C(=O)CC[NH+](C)C)o1 ZINC001391220089 910982751 /nfs/dbraw/zinc/98/27/51/910982751.db2.gz OTBNELMFCUBKJV-LLVKDONJSA-N 2 2 297.403 0.693 20 0 CCADLP C[C@H](O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001321125235 911103924 /nfs/dbraw/zinc/10/39/24/911103924.db2.gz JLZIBAZJRMICEE-OUDYMMNNSA-N 2 2 292.383 0.088 20 0 CCADLP CC(C)OCC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001391564973 911233503 /nfs/dbraw/zinc/23/35/03/911233503.db2.gz VVCRAQINHDYVNJ-AWEZNQCLSA-N 2 2 294.399 0.889 20 0 CCADLP CC(C)OCC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001391564973 911233520 /nfs/dbraw/zinc/23/35/20/911233520.db2.gz VVCRAQINHDYVNJ-AWEZNQCLSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@@H](O)C[N@H+](C)CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001392288711 911702640 /nfs/dbraw/zinc/70/26/40/911702640.db2.gz OULARCPHTJTHPN-LLVKDONJSA-N 2 2 290.367 0.948 20 0 CCADLP C[C@@H](O)C[N@@H+](C)CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001392288711 911702649 /nfs/dbraw/zinc/70/26/49/911702649.db2.gz OULARCPHTJTHPN-LLVKDONJSA-N 2 2 290.367 0.948 20 0 CCADLP CC(C)C[NH2+]C[C@H](O)CNC(=O)c1cccc2[nH+]ccn21 ZINC001392392520 911777162 /nfs/dbraw/zinc/77/71/62/911777162.db2.gz QXWRZFCVJZFCQP-LBPRGKRZSA-N 2 2 290.367 0.671 20 0 CCADLP C[C@@H](C[NH2+]Cc1nc(C2CC2)no1)NC(=O)CC[NH+](C)C ZINC001392597307 911972673 /nfs/dbraw/zinc/97/26/73/911972673.db2.gz ZDEAXTXRQMVMDD-JTQLQIEISA-N 2 2 295.387 0.493 20 0 CCADLP CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001392658852 912057424 /nfs/dbraw/zinc/05/74/24/912057424.db2.gz QDCXCTJWHAXYQH-STQMWFEESA-N 2 2 298.431 0.042 20 0 CCADLP CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001392658852 912057443 /nfs/dbraw/zinc/05/74/43/912057443.db2.gz QDCXCTJWHAXYQH-STQMWFEESA-N 2 2 298.431 0.042 20 0 CCADLP CNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001392658852 912057459 /nfs/dbraw/zinc/05/74/59/912057459.db2.gz QDCXCTJWHAXYQH-STQMWFEESA-N 2 2 298.431 0.042 20 0 CCADLP CNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001392658852 912057474 /nfs/dbraw/zinc/05/74/74/912057474.db2.gz QDCXCTJWHAXYQH-STQMWFEESA-N 2 2 298.431 0.042 20 0 CCADLP C[C@H](CC(=O)N[C@H](C[NH2+]CCO)C1CC1)n1cc[nH+]c1 ZINC001323080471 912106893 /nfs/dbraw/zinc/10/68/93/912106893.db2.gz ICKQBJFSODOWGK-DGCLKSJQSA-N 2 2 280.372 0.311 20 0 CCADLP CCC[NH2+][C@@H](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001328437355 915194115 /nfs/dbraw/zinc/19/41/15/915194115.db2.gz UJHZEYTVGHUTHW-NSHDSACASA-N 2 2 252.362 0.857 20 0 CCADLP O=C(NCC[N@@H+](CCO)C1CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001400015296 915505961 /nfs/dbraw/zinc/50/59/61/915505961.db2.gz ITWBBNZPZFRANT-LBPRGKRZSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(NCC[N@H+](CCO)C1CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001400015296 915505973 /nfs/dbraw/zinc/50/59/73/915505973.db2.gz ITWBBNZPZFRANT-LBPRGKRZSA-N 2 2 292.383 0.018 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCN(C)C(=O)CC[NH+](C)C)o1 ZINC001400042737 915522738 /nfs/dbraw/zinc/52/27/38/915522738.db2.gz QVZUSHWHMHQVNR-JTQLQIEISA-N 2 2 283.376 0.439 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC1C[NH+](CC2CCOCC2)C1 ZINC001400543078 915801457 /nfs/dbraw/zinc/80/14/57/915801457.db2.gz PFFLQVUKPZMLDP-UHFFFAOYSA-N 2 2 292.383 0.427 20 0 CCADLP Cc1cc(C[NH+]2CC(CNC(=O)C[N@@H+](C)C(C)C)C2)on1 ZINC001400569392 915812498 /nfs/dbraw/zinc/81/24/98/915812498.db2.gz GOVOSCFLFMVDEX-UHFFFAOYSA-N 2 2 294.399 0.871 20 0 CCADLP Cc1cc(C[NH+]2CC(CNC(=O)C[N@H+](C)C(C)C)C2)on1 ZINC001400569392 915812512 /nfs/dbraw/zinc/81/25/12/915812512.db2.gz GOVOSCFLFMVDEX-UHFFFAOYSA-N 2 2 294.399 0.871 20 0 CCADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+]Cc1cnon1 ZINC001401120119 916056491 /nfs/dbraw/zinc/05/64/91/916056491.db2.gz JNJDFEGORAWOGZ-LLVKDONJSA-N 2 2 292.343 0.198 20 0 CCADLP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cnn(C)c1 ZINC001330119411 916421668 /nfs/dbraw/zinc/42/16/68/916421668.db2.gz PUDRLPOEHXNNTG-MRVPVSSYSA-N 2 2 262.317 0.225 20 0 CCADLP C[C@H](C[NH2+]C[C@@H]1CCOC1)NC(=O)Cc1c[nH+]cn1C ZINC001401653900 916435173 /nfs/dbraw/zinc/43/51/73/916435173.db2.gz RMNLFFHCBZGVCG-NEPJUHHUSA-N 2 2 280.372 0.093 20 0 CCADLP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cnsn1)[NH+](C)C ZINC001401702549 916496023 /nfs/dbraw/zinc/49/60/23/916496023.db2.gz ARFKQVOYCIHAGN-CMPLNLGQSA-N 2 2 299.444 0.719 20 0 CCADLP CO[C@@H](C)C[N@H+](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001401761593 916574971 /nfs/dbraw/zinc/57/49/71/916574971.db2.gz RLISROKAQMUPDK-STQMWFEESA-N 2 2 282.388 0.745 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001401761593 916574982 /nfs/dbraw/zinc/57/49/82/916574982.db2.gz RLISROKAQMUPDK-STQMWFEESA-N 2 2 282.388 0.745 20 0 CCADLP COC[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001401812434 916608429 /nfs/dbraw/zinc/60/84/29/916608429.db2.gz WNXCGAVJWBIXAL-OLZOCXBDSA-N 2 2 296.415 0.824 20 0 CCADLP COC[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001401812434 916608434 /nfs/dbraw/zinc/60/84/34/916608434.db2.gz WNXCGAVJWBIXAL-OLZOCXBDSA-N 2 2 296.415 0.824 20 0 CCADLP CCC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1[C@H](C)C(=O)NC ZINC001401943979 916724225 /nfs/dbraw/zinc/72/42/25/916724225.db2.gz XTZBPJUZKXCWLW-OLZOCXBDSA-N 2 2 298.431 0.043 20 0 CCADLP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1[C@H](C)C(=O)NC ZINC001401943979 916724236 /nfs/dbraw/zinc/72/42/36/916724236.db2.gz XTZBPJUZKXCWLW-OLZOCXBDSA-N 2 2 298.431 0.043 20 0 CCADLP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)NC ZINC001401943979 916724250 /nfs/dbraw/zinc/72/42/50/916724250.db2.gz XTZBPJUZKXCWLW-OLZOCXBDSA-N 2 2 298.431 0.043 20 0 CCADLP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)C(=O)NC ZINC001401943979 916724260 /nfs/dbraw/zinc/72/42/60/916724260.db2.gz XTZBPJUZKXCWLW-OLZOCXBDSA-N 2 2 298.431 0.043 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC1([NH2+]C[C@@H]2CCOC2)CC1 ZINC001401952759 916728227 /nfs/dbraw/zinc/72/82/27/916728227.db2.gz ILLSJNBLXYLTJW-LBPRGKRZSA-N 2 2 292.383 0.617 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC1([NH2+]C[C@@H]2CCOC2)CC1 ZINC001401952759 916728241 /nfs/dbraw/zinc/72/82/41/916728241.db2.gz ILLSJNBLXYLTJW-LBPRGKRZSA-N 2 2 292.383 0.617 20 0 CCADLP C[C@H]([NH2+]CCO)[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001402044964 916768798 /nfs/dbraw/zinc/76/87/98/916768798.db2.gz OLDRTVDENDYMGD-JSGCOSHPSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@H](C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)n1cc[nH+]c1 ZINC001330701332 916802301 /nfs/dbraw/zinc/80/23/01/916802301.db2.gz JCHSWHAEXTXTHM-BNOWGMLFSA-N 2 2 262.357 0.902 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)NCC1(O)C[NH+](CCC2CC2)C1 ZINC001402332409 916962764 /nfs/dbraw/zinc/96/27/64/916962764.db2.gz FVKDWBYGILLITO-AWEZNQCLSA-N 2 2 295.427 0.434 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)NCC1(O)C[NH+](CCC2CC2)C1 ZINC001402332409 916962775 /nfs/dbraw/zinc/96/27/75/916962775.db2.gz FVKDWBYGILLITO-AWEZNQCLSA-N 2 2 295.427 0.434 20 0 CCADLP CC[C@@H](C)C[NH+]1CC(O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001402356473 916977575 /nfs/dbraw/zinc/97/75/75/916977575.db2.gz HVTPXMLHFKZFNI-CYBMUJFWSA-N 2 2 294.399 0.482 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001402507964 917068162 /nfs/dbraw/zinc/06/81/62/917068162.db2.gz HZVQJAMYIPNUET-MGPQQGTHSA-N 2 2 292.383 0.547 20 0 CCADLP C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](C)[NH2+]Cc1csnn1 ZINC001403065085 917453746 /nfs/dbraw/zinc/45/37/46/917453746.db2.gz WOXRLYJEWOJOEE-GHMZBOCLSA-N 2 2 299.444 0.863 20 0 CCADLP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[N@H+](C)CCO ZINC001403145211 917526001 /nfs/dbraw/zinc/52/60/01/917526001.db2.gz RMVQWBIPGJRWEV-NSHDSACASA-N 2 2 276.340 0.377 20 0 CCADLP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[N@@H+](C)CCO ZINC001403145211 917526022 /nfs/dbraw/zinc/52/60/22/917526022.db2.gz RMVQWBIPGJRWEV-NSHDSACASA-N 2 2 276.340 0.377 20 0 CCADLP CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001403414424 917703618 /nfs/dbraw/zinc/70/36/18/917703618.db2.gz DCQWFNMQEGGSNK-JSGCOSHPSA-N 2 2 294.399 0.958 20 0 CCADLP CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC001403414424 917703626 /nfs/dbraw/zinc/70/36/26/917703626.db2.gz DCQWFNMQEGGSNK-JSGCOSHPSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H](C)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001403574230 917825623 /nfs/dbraw/zinc/82/56/23/917825623.db2.gz BRLXBQYWEWLNQD-STQMWFEESA-N 2 2 282.388 0.745 20 0 CCADLP C[C@H]1[C@H]([NH2+]Cc2csnn2)CCN1C(=O)CC[NH+](C)C ZINC001403738390 917982319 /nfs/dbraw/zinc/98/23/19/917982319.db2.gz DLCQSGYBZVLMEM-CMPLNLGQSA-N 2 2 297.428 0.569 20 0 CCADLP CC[N@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)[C@@H](C)COC ZINC001403939443 918137277 /nfs/dbraw/zinc/13/72/77/918137277.db2.gz KSWYKCVVULJVMJ-NSHDSACASA-N 2 2 282.388 0.734 20 0 CCADLP CC[N@@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)[C@@H](C)COC ZINC001403939443 918137296 /nfs/dbraw/zinc/13/72/96/918137296.db2.gz KSWYKCVVULJVMJ-NSHDSACASA-N 2 2 282.388 0.734 20 0 CCADLP CO[C@@H](C)C[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001404269259 918273129 /nfs/dbraw/zinc/27/31/29/918273129.db2.gz ZWLZRPAHIQBSKQ-NSHDSACASA-N 2 2 280.372 0.568 20 0 CCADLP CO[C@@H](C)C[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001404269259 918273140 /nfs/dbraw/zinc/27/31/40/918273140.db2.gz ZWLZRPAHIQBSKQ-NSHDSACASA-N 2 2 280.372 0.568 20 0 CCADLP COCC[N@@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001404547162 918390868 /nfs/dbraw/zinc/39/08/68/918390868.db2.gz SZRNMHFESZVBGQ-ZDUSSCGKSA-N 2 2 280.372 0.358 20 0 CCADLP COCC[N@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001404547162 918390876 /nfs/dbraw/zinc/39/08/76/918390876.db2.gz SZRNMHFESZVBGQ-ZDUSSCGKSA-N 2 2 280.372 0.358 20 0 CCADLP Cc1cncc(C[NH2+]C[C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001406404633 919242624 /nfs/dbraw/zinc/24/26/24/919242624.db2.gz AWIHRKFLHAKJGL-GFCCVEGCSA-N 2 2 287.367 0.950 20 0 CCADLP Cc1noc([C@H](C)[NH2+]C[C@H](C)NC(=O)CCC[NH+](C)C)n1 ZINC001406516395 919308006 /nfs/dbraw/zinc/30/80/06/919308006.db2.gz HGCFOXHPZUXFCL-QWRGUYRKSA-N 2 2 297.403 0.875 20 0 CCADLP CC[C@@H](C[N@H+](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C)OC ZINC001406683051 919425192 /nfs/dbraw/zinc/42/51/92/919425192.db2.gz BMUBDKYPTGDWBF-OCCSQVGLSA-N 2 2 296.415 0.824 20 0 CCADLP CC[C@@H](C[N@@H+](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C)OC ZINC001406683051 919425203 /nfs/dbraw/zinc/42/52/03/919425203.db2.gz BMUBDKYPTGDWBF-OCCSQVGLSA-N 2 2 296.415 0.824 20 0 CCADLP CC[C@H](C(=O)NC[C@@H]1CCN1Cc1c[nH+]cn1C)[NH+](C)C ZINC001406843868 919492594 /nfs/dbraw/zinc/49/25/94/919492594.db2.gz CQYZKCSFJCLZLI-GXTWGEPZSA-N 2 2 293.415 0.451 20 0 CCADLP Cn1ccc(C[N@@H+]2CC[C@](C)(NC(=O)CC[NH+](C)C)C2)n1 ZINC001407180687 919654444 /nfs/dbraw/zinc/65/44/44/919654444.db2.gz OHTLBJHEPUTKHQ-HNNXBMFYSA-N 2 2 293.415 0.452 20 0 CCADLP Cn1ccc(C[N@H+]2CC[C@](C)(NC(=O)CC[NH+](C)C)C2)n1 ZINC001407180687 919654454 /nfs/dbraw/zinc/65/44/54/919654454.db2.gz OHTLBJHEPUTKHQ-HNNXBMFYSA-N 2 2 293.415 0.452 20 0 CCADLP CC(C)[NH+]1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001407441907 919755698 /nfs/dbraw/zinc/75/56/98/919755698.db2.gz XIWUILXQXQDDJC-CQSZACIVSA-N 2 2 297.443 0.821 20 0 CCADLP CC(C)[NH+]1CC(O)(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001407441907 919755704 /nfs/dbraw/zinc/75/57/04/919755704.db2.gz XIWUILXQXQDDJC-CQSZACIVSA-N 2 2 297.443 0.821 20 0 CCADLP CC(=O)NCC[NH+]1CCC([NH2+]C[C@H]2CC(C)(C)CO2)CC1 ZINC001407571609 919814144 /nfs/dbraw/zinc/81/41/44/919814144.db2.gz RJCJMGPOGVWNIR-OAHLLOKOSA-N 2 2 297.443 0.992 20 0 CCADLP CC[C@@H](F)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001407843814 919916666 /nfs/dbraw/zinc/91/66/66/919916666.db2.gz BMNQDPROFNJWOY-CHWSQXEVSA-N 2 2 298.362 0.448 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[N@@H+](C)C[C@@H](C)O ZINC001407953357 919965659 /nfs/dbraw/zinc/96/56/59/919965659.db2.gz MGIVRPQDZBJKCW-LLVKDONJSA-N 2 2 282.388 0.422 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[N@H+](C)C[C@@H](C)O ZINC001407953357 919965671 /nfs/dbraw/zinc/96/56/71/919965671.db2.gz MGIVRPQDZBJKCW-LLVKDONJSA-N 2 2 282.388 0.422 20 0 CCADLP CCC1([NH2+]CCO)CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001407978936 919971393 /nfs/dbraw/zinc/97/13/93/919971393.db2.gz HFHOKQNXELSTLO-UHFFFAOYSA-N 2 2 294.399 0.316 20 0 CCADLP CC(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001408291700 920128617 /nfs/dbraw/zinc/12/86/17/920128617.db2.gz HHFGMTNUOZTCOI-LSDHHAIUSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001408291700 920128622 /nfs/dbraw/zinc/12/86/22/920128622.db2.gz HHFGMTNUOZTCOI-LSDHHAIUSA-N 2 2 297.443 0.944 20 0 CCADLP CCOC(=O)CC[C@H](O)C[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC001335445376 920195803 /nfs/dbraw/zinc/19/58/03/920195803.db2.gz RHURNPOCBDITIU-STQMWFEESA-N 2 2 272.389 0.622 20 0 CCADLP CCOC(=O)CC[C@H](O)C[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC001335445376 920195807 /nfs/dbraw/zinc/19/58/07/920195807.db2.gz RHURNPOCBDITIU-STQMWFEESA-N 2 2 272.389 0.622 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001335841881 920475040 /nfs/dbraw/zinc/47/50/40/920475040.db2.gz IKDCZLCOQZQOEV-GMTAPVOTSA-N 2 2 250.346 0.495 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N[C@@H]2C[NH2+]CC2(C)C)c1 ZINC001336107132 920609692 /nfs/dbraw/zinc/60/96/92/920609692.db2.gz DRJJLURWDUVZPT-LLVKDONJSA-N 2 2 265.361 0.260 20 0 CCADLP C[NH+](C)CCOC1CCN(c2cc(N)nc[nH+]2)CC1 ZINC001336516328 920815316 /nfs/dbraw/zinc/81/53/16/920815316.db2.gz LCVLPJJUTAYTCV-UHFFFAOYSA-N 2 2 265.361 0.606 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]C[C@@H](O)c1ccncc1)C1CC1 ZINC001336702822 920938537 /nfs/dbraw/zinc/93/85/37/920938537.db2.gz GCUJEOHTWRXKHW-ZIAGYGMSSA-N 2 2 265.357 0.160 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H](O)c1ccncc1)C1CC1 ZINC001336702822 920938550 /nfs/dbraw/zinc/93/85/50/920938550.db2.gz GCUJEOHTWRXKHW-ZIAGYGMSSA-N 2 2 265.357 0.160 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](C)CC1(C)C)n1cc[nH+]c1 ZINC001336738194 920968097 /nfs/dbraw/zinc/96/80/97/920968097.db2.gz VIPUXFNYXZJPQK-NSHDSACASA-N 2 2 250.346 0.997 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](C)CC1(C)C)n1cc[nH+]c1 ZINC001336738194 920968112 /nfs/dbraw/zinc/96/81/12/920968112.db2.gz VIPUXFNYXZJPQK-NSHDSACASA-N 2 2 250.346 0.997 20 0 CCADLP NC(=O)NC(=O)CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001336800625 921020049 /nfs/dbraw/zinc/02/00/49/921020049.db2.gz HZTKIVXAADORNN-WDEREUQCSA-N 2 2 268.361 0.178 20 0 CCADLP NC(=O)NC(=O)CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001336800625 921020055 /nfs/dbraw/zinc/02/00/55/921020055.db2.gz HZTKIVXAADORNN-WDEREUQCSA-N 2 2 268.361 0.178 20 0 CCADLP C[C@@H]1CC[C@H]1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336890449 921083648 /nfs/dbraw/zinc/08/36/48/921083648.db2.gz GKFOUJMWVGPQBK-ZYHUDNBSSA-N 2 2 254.378 0.507 20 0 CCADLP Cc1nonc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001418206887 921911146 /nfs/dbraw/zinc/91/11/46/921911146.db2.gz ATXFNVZBXAQNFD-SKDRFNHKSA-N 2 2 281.360 0.067 20 0 CCADLP Cc1nonc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001418206887 921911152 /nfs/dbraw/zinc/91/11/52/921911152.db2.gz ATXFNVZBXAQNFD-SKDRFNHKSA-N 2 2 281.360 0.067 20 0 CCADLP [NH3+]C1(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC001340614961 922141551 /nfs/dbraw/zinc/14/15/51/922141551.db2.gz MFTXDBNIIORJCX-LLVKDONJSA-N 2 2 262.357 0.833 20 0 CCADLP [NH3+][C@@H]1C[C@H](C(=O)NCCCNc2cccc[nH+]2)[C@H]2C[C@H]21 ZINC001340809502 922228582 /nfs/dbraw/zinc/22/85/82/922228582.db2.gz RKZHWMDHKRFYIW-QNWHQSFQSA-N 2 2 274.368 0.983 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001418696122 922367103 /nfs/dbraw/zinc/36/71/03/922367103.db2.gz ZIIRQUJUXFVCQV-NEPJUHHUSA-N 2 2 280.372 0.425 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001418696122 922367118 /nfs/dbraw/zinc/36/71/18/922367118.db2.gz ZIIRQUJUXFVCQV-NEPJUHHUSA-N 2 2 280.372 0.425 20 0 CCADLP CC1(C)[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H]2CCC[NH2+][C@H]21 ZINC001341591517 922571370 /nfs/dbraw/zinc/57/13/70/922571370.db2.gz DANDIQPOHDFXDX-ZWKOPEQDSA-N 2 2 262.357 0.845 20 0 CCADLP COc1cc(C[NH+]2CC(CNC(=O)CC[NH+](C)C)C2)on1 ZINC001419032437 922588628 /nfs/dbraw/zinc/58/86/28/922588628.db2.gz IFUOVDAMXSWUIG-UHFFFAOYSA-N 2 2 296.371 0.183 20 0 CCADLP Nc1cc(C(=O)NCC[NH+]2CCC([NH3+])CC2)cc(Cl)n1 ZINC001341689537 922630252 /nfs/dbraw/zinc/63/02/52/922630252.db2.gz ALLZFKNIDMKRRR-UHFFFAOYSA-N 2 2 297.790 0.470 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)C1([C@@H](C)[NH3+])CCOCC1 ZINC001341732099 922647433 /nfs/dbraw/zinc/64/74/33/922647433.db2.gz ICXDELBNZYTJRL-SNVBAGLBSA-N 2 2 266.345 0.478 20 0 CCADLP Cn1c[nH+]cc1C1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC001342252912 922877328 /nfs/dbraw/zinc/87/73/28/922877328.db2.gz HIDOLRLILCARAE-UHFFFAOYSA-N 2 2 250.346 0.863 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC001342537744 922993054 /nfs/dbraw/zinc/99/30/54/922993054.db2.gz YEZXRXGWLBKSDG-GXTWGEPZSA-N 2 2 269.389 0.356 20 0 CCADLP Cc1cncc(C[NH2+][C@@H](C)CNC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001419892752 923152797 /nfs/dbraw/zinc/15/27/97/923152797.db2.gz ILBCGQBBJNXIGL-LBPRGKRZSA-N 2 2 287.367 0.950 20 0 CCADLP Nc1cc[nH+]cc1C(=O)Nc1cc2n(n1)CC[NH2+]C2 ZINC001343024580 923168943 /nfs/dbraw/zinc/16/89/43/923168943.db2.gz DCPQBMWLNMZVBG-UHFFFAOYSA-N 2 2 258.285 0.046 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cncc(F)c1 ZINC001419954523 923188943 /nfs/dbraw/zinc/18/89/43/923188943.db2.gz HDPOJINAYIVILX-LLVKDONJSA-N 2 2 291.330 0.712 20 0 CCADLP CC[C@@H](C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)OC ZINC001419996477 923221990 /nfs/dbraw/zinc/22/19/90/923221990.db2.gz PUMLVXLOFQAWKA-OCCSQVGLSA-N 2 2 294.399 0.815 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)Cc1cnnn1C ZINC001420057469 923272855 /nfs/dbraw/zinc/27/28/55/923272855.db2.gz FNYVEZIOXYFGJP-UHFFFAOYSA-N 2 2 296.419 0.046 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH+](C)Cc1cnnn1C ZINC001420057469 923272869 /nfs/dbraw/zinc/27/28/69/923272869.db2.gz FNYVEZIOXYFGJP-UHFFFAOYSA-N 2 2 296.419 0.046 20 0 CCADLP CC(C)[NH+](C)CC(=O)N(C)CC[N@H+](C)Cc1cnnn1C ZINC001420057469 923272884 /nfs/dbraw/zinc/27/28/84/923272884.db2.gz FNYVEZIOXYFGJP-UHFFFAOYSA-N 2 2 296.419 0.046 20 0 CCADLP CC(C)[NH+](C)CC(=O)N(C)CC[N@@H+](C)Cc1cnnn1C ZINC001420057469 923272896 /nfs/dbraw/zinc/27/28/96/923272896.db2.gz FNYVEZIOXYFGJP-UHFFFAOYSA-N 2 2 296.419 0.046 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1(C[NH3+])CCC1 ZINC001343503831 923355869 /nfs/dbraw/zinc/35/58/69/923355869.db2.gz BROVOBSGGOWDRS-JTQLQIEISA-N 2 2 250.346 0.928 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1(C[NH3+])CCC1 ZINC001343503831 923355884 /nfs/dbraw/zinc/35/58/84/923355884.db2.gz BROVOBSGGOWDRS-JTQLQIEISA-N 2 2 250.346 0.928 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC001343737785 923452674 /nfs/dbraw/zinc/45/26/74/923452674.db2.gz ZJPCSTXKIXJMMG-RYUDHWBXSA-N 2 2 257.378 0.164 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]([NH3+])CC1CC1 ZINC001343737609 923453691 /nfs/dbraw/zinc/45/36/91/923453691.db2.gz XGXDOCPSCJPAHK-DGCLKSJQSA-N 2 2 269.389 0.293 20 0 CCADLP CNC(=O)C[N@H+](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001420305314 923527445 /nfs/dbraw/zinc/52/74/45/923527445.db2.gz FVXMXGHLENKGJL-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CNC(=O)C[N@@H+](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001420305314 923527453 /nfs/dbraw/zinc/52/74/53/923527453.db2.gz FVXMXGHLENKGJL-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP C[C@@H](C[NH2+]Cc1nccn1C)NC(=O)CCn1cc[nH+]c1 ZINC001420460889 923685819 /nfs/dbraw/zinc/68/58/19/923685819.db2.gz MRCDOZODRGNEOB-LBPRGKRZSA-N 2 2 290.371 0.301 20 0 CCADLP C[C@@H](O)CCC[N@@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001420508912 923726720 /nfs/dbraw/zinc/72/67/20/923726720.db2.gz WEEAYSPULCADHQ-KGLIPLIRSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@@H](O)CCC[N@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001420508912 923726732 /nfs/dbraw/zinc/72/67/32/923726732.db2.gz WEEAYSPULCADHQ-KGLIPLIRSA-N 2 2 294.399 0.625 20 0 CCADLP CCC[N@H+](CCF)CCNC(=O)Cn1cc[nH+]c1C ZINC001420617412 923824710 /nfs/dbraw/zinc/82/47/10/923824710.db2.gz HJGZZSDHAKURPY-UHFFFAOYSA-N 2 2 270.352 0.989 20 0 CCADLP CCC[N@@H+](CCF)CCNC(=O)Cn1cc[nH+]c1C ZINC001420617412 923824715 /nfs/dbraw/zinc/82/47/15/923824715.db2.gz HJGZZSDHAKURPY-UHFFFAOYSA-N 2 2 270.352 0.989 20 0 CCADLP CC(C)OCC[N@@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001420913617 924016946 /nfs/dbraw/zinc/01/69/46/924016946.db2.gz OMCBYWYCYMYUOQ-CYBMUJFWSA-N 2 2 280.372 0.499 20 0 CCADLP CC(C)OCC[N@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001420913617 924016960 /nfs/dbraw/zinc/01/69/60/924016960.db2.gz OMCBYWYCYMYUOQ-CYBMUJFWSA-N 2 2 280.372 0.499 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)NC2C[NH+](CCCC(C)(C)C)C2)C1 ZINC001421023670 924100717 /nfs/dbraw/zinc/10/07/17/924100717.db2.gz GYHNDSVDEUVXJM-AWEZNQCLSA-N 2 2 297.443 0.944 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)NC2C[NH+](CCCC(C)(C)C)C2)C1 ZINC001421023670 924100729 /nfs/dbraw/zinc/10/07/29/924100729.db2.gz GYHNDSVDEUVXJM-AWEZNQCLSA-N 2 2 297.443 0.944 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@@]1(C)CC[N@H+](CCF)C1 ZINC001421224767 924223348 /nfs/dbraw/zinc/22/33/48/924223348.db2.gz QWVCHKVGLIEZBZ-AWEZNQCLSA-N 2 2 282.363 0.903 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@@]1(C)CC[N@@H+](CCF)C1 ZINC001421224767 924223357 /nfs/dbraw/zinc/22/33/57/924223357.db2.gz QWVCHKVGLIEZBZ-AWEZNQCLSA-N 2 2 282.363 0.903 20 0 CCADLP CC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(N)=O ZINC001347179216 924390518 /nfs/dbraw/zinc/39/05/18/924390518.db2.gz UCFJALOWAUIVCM-NWDGAFQWSA-N 2 2 255.362 0.093 20 0 CCADLP C[C@H](C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)n1cc[nH+]c1 ZINC001347722885 924518969 /nfs/dbraw/zinc/51/89/69/924518969.db2.gz CKAAGFVZDRJNPJ-TZMCWYRMSA-N 2 2 262.357 0.998 20 0 CCADLP C[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)n1cc[nH+]c1 ZINC001347722885 924518974 /nfs/dbraw/zinc/51/89/74/924518974.db2.gz CKAAGFVZDRJNPJ-TZMCWYRMSA-N 2 2 262.357 0.998 20 0 CCADLP [NH3+]CC[NH+]1CCC(CN2C(=O)c3ccccc3C2=O)CC1 ZINC001349362674 924941694 /nfs/dbraw/zinc/94/16/94/924941694.db2.gz OMCYHQYGQPCCKI-UHFFFAOYSA-N 2 2 287.363 0.953 20 0 CCADLP CC(C)(O)C[C@H](O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC001349647371 925013111 /nfs/dbraw/zinc/01/31/11/925013111.db2.gz UNMVMKRBIXNGGQ-NSHDSACASA-N 2 2 268.361 0.054 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCC2([NH3+])CC2)C1 ZINC001353502386 925853206 /nfs/dbraw/zinc/85/32/06/925853206.db2.gz RPGJTCPMKZIBHN-SNVBAGLBSA-N 2 2 263.345 0.410 20 0 CCADLP Cc1cccn2cc(CC(=O)N[C@H]3C[C@H]([NH3+])C3)[nH+]c12 ZINC001356434674 926381610 /nfs/dbraw/zinc/38/16/10/926381610.db2.gz ZZSWEZMSRQGCIL-XYPYZODXSA-N 2 2 258.325 0.791 20 0 CCADLP [NH3+]CCCSCCC(=O)NCCn1cc[nH+]c1 ZINC001357337407 926513025 /nfs/dbraw/zinc/51/30/25/926513025.db2.gz JLNIUEYZRYLKFL-UHFFFAOYSA-N 2 2 256.375 0.471 20 0 CCADLP C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1CC[NH3+] ZINC001357801245 926599747 /nfs/dbraw/zinc/59/97/47/926599747.db2.gz FKHBPAJBGFIUQN-WDEREUQCSA-N 2 2 250.346 0.928 20 0 CCADLP COCC[N@H+](C)CCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001421891585 926976422 /nfs/dbraw/zinc/97/64/22/926976422.db2.gz HYCQQOGZOYVDGU-UHFFFAOYSA-N 2 2 282.388 0.389 20 0 CCADLP COCC[N@@H+](C)CCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001421891585 926976435 /nfs/dbraw/zinc/97/64/35/926976435.db2.gz HYCQQOGZOYVDGU-UHFFFAOYSA-N 2 2 282.388 0.389 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CCC(C)([NH2+]CCO)CC1 ZINC001422064024 927059543 /nfs/dbraw/zinc/05/95/43/927059543.db2.gz ZQTZYQULTTUWOG-UHFFFAOYSA-N 2 2 294.399 0.316 20 0 CCADLP C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001361743494 927294035 /nfs/dbraw/zinc/29/40/35/927294035.db2.gz QPFGJATTXDWBQA-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@@H](CC(=O)N[C@@H](C)C1C[NH+](CCO)C1)n1cc[nH+]c1 ZINC001422744058 927485303 /nfs/dbraw/zinc/48/53/03/927485303.db2.gz YRZJCXZOFBRTQJ-RYUDHWBXSA-N 2 2 280.372 0.263 20 0 CCADLP C[C@@H](CNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)Cn1cc[nH+]c1 ZINC001361993992 927507053 /nfs/dbraw/zinc/50/70/53/927507053.db2.gz NEQBUYLUJGQYKP-BFHYXJOUSA-N 2 2 294.399 0.481 20 0 CCADLP C[C@@H](CNC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O)Cn1cc[nH+]c1 ZINC001361993992 927507059 /nfs/dbraw/zinc/50/70/59/927507059.db2.gz NEQBUYLUJGQYKP-BFHYXJOUSA-N 2 2 294.399 0.481 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@@H](C[NH2+]C[C@H](C)O)C1 ZINC001422906439 927583057 /nfs/dbraw/zinc/58/30/57/927583057.db2.gz VASRLIPEODVRBZ-YVECIDJPSA-N 2 2 294.399 0.454 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@@H](C[NH2+]C[C@H](C)O)C1 ZINC001422906439 927583071 /nfs/dbraw/zinc/58/30/71/927583071.db2.gz VASRLIPEODVRBZ-YVECIDJPSA-N 2 2 294.399 0.454 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H](C)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001423169343 927706913 /nfs/dbraw/zinc/70/69/13/927706913.db2.gz JXGYCFFXOKNANE-OLZOCXBDSA-N 2 2 296.415 0.824 20 0 CCADLP C[NH+](C)CC1(C(=O)NCC2([NH2+]Cc3cnon3)CC2)CC1 ZINC001423258895 927772008 /nfs/dbraw/zinc/77/20/08/927772008.db2.gz LHAZPHZHPTWLPS-UHFFFAOYSA-N 2 2 293.371 0.150 20 0 CCADLP CO[C@H](C)C[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001423695637 927960476 /nfs/dbraw/zinc/96/04/76/927960476.db2.gz NRVALYMOZQOUIU-PNESKVBLSA-N 2 2 280.372 0.497 20 0 CCADLP CCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCO)[C@H](C)C1 ZINC001362400764 927968478 /nfs/dbraw/zinc/96/84/78/927968478.db2.gz XDWORBPHPMNJKT-CABCVRRESA-N 2 2 297.443 0.776 20 0 CCADLP CCC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCO)[C@H](C)C1 ZINC001362400764 927968486 /nfs/dbraw/zinc/96/84/86/927968486.db2.gz XDWORBPHPMNJKT-CABCVRRESA-N 2 2 297.443 0.776 20 0 CCADLP CCC[NH+]1CCCC[C@H]1C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC001362400764 927968493 /nfs/dbraw/zinc/96/84/93/927968493.db2.gz XDWORBPHPMNJKT-CABCVRRESA-N 2 2 297.443 0.776 20 0 CCADLP CCC[NH+]1CCCC[C@H]1C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC001362400764 927968504 /nfs/dbraw/zinc/96/85/04/927968504.db2.gz XDWORBPHPMNJKT-CABCVRRESA-N 2 2 297.443 0.776 20 0 CCADLP CC[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001423830563 927996367 /nfs/dbraw/zinc/99/63/67/927996367.db2.gz RVVZAQCAAYJJHB-CHWSQXEVSA-N 2 2 283.416 0.290 20 0 CCADLP CC[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001423830563 927996373 /nfs/dbraw/zinc/99/63/73/927996373.db2.gz RVVZAQCAAYJJHB-CHWSQXEVSA-N 2 2 283.416 0.290 20 0 CCADLP CC(C)C[NH+]1CC(O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001423863399 928014790 /nfs/dbraw/zinc/01/47/90/928014790.db2.gz YYZUCHHJJKPQDS-UHFFFAOYSA-N 2 2 280.372 0.092 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001424127138 928105713 /nfs/dbraw/zinc/10/57/13/928105713.db2.gz UHZOYTYBYZTGTO-HUUCEWRRSA-N 2 2 297.443 0.945 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001424127138 928105717 /nfs/dbraw/zinc/10/57/17/928105717.db2.gz UHZOYTYBYZTGTO-HUUCEWRRSA-N 2 2 297.443 0.945 20 0 CCADLP CCCC[NH+]1CCOC[C@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001424127138 928105721 /nfs/dbraw/zinc/10/57/21/928105721.db2.gz UHZOYTYBYZTGTO-HUUCEWRRSA-N 2 2 297.443 0.945 20 0 CCADLP CCCC[NH+]1CCOC[C@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001424127138 928105729 /nfs/dbraw/zinc/10/57/29/928105729.db2.gz UHZOYTYBYZTGTO-HUUCEWRRSA-N 2 2 297.443 0.945 20 0 CCADLP Cc1noc(C[NH2+]C2(CNC(=O)CC[NH+](C)C)CCC2)n1 ZINC001424198726 928124501 /nfs/dbraw/zinc/12/45/01/928124501.db2.gz UAWKAVOBXIOPGO-UHFFFAOYSA-N 2 2 295.387 0.458 20 0 CCADLP C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CCCO)n1cc[nH+]c1 ZINC001362607129 928240720 /nfs/dbraw/zinc/24/07/20/928240720.db2.gz RPJGVLPSPKVYHN-QWHCGFSZSA-N 2 2 280.372 0.407 20 0 CCADLP C[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CCCO)n1cc[nH+]c1 ZINC001362607129 928240731 /nfs/dbraw/zinc/24/07/31/928240731.db2.gz RPJGVLPSPKVYHN-QWHCGFSZSA-N 2 2 280.372 0.407 20 0 CCADLP C[C@@H](CC[NH+](C)C)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC001362660917 928319842 /nfs/dbraw/zinc/31/98/42/928319842.db2.gz PWJHWCNYQOHZPD-MELADBBJSA-N 2 2 285.432 0.800 20 0 CCADLP C[C@@H](CC[NH+](C)C)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC001362660917 928319858 /nfs/dbraw/zinc/31/98/58/928319858.db2.gz PWJHWCNYQOHZPD-MELADBBJSA-N 2 2 285.432 0.800 20 0 CCADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1cnn(C)c1 ZINC001424867732 928324379 /nfs/dbraw/zinc/32/43/79/928324379.db2.gz VRAVHLWTNNVFRK-NWDGAFQWSA-N 2 2 290.371 0.300 20 0 CCADLP C[C@H](CC(=O)NC[C@H](C)[N@H+](C)CCCO)n1cc[nH+]c1 ZINC001425032582 928408154 /nfs/dbraw/zinc/40/81/54/928408154.db2.gz XVPMPMTVVFHGIO-OLZOCXBDSA-N 2 2 282.388 0.653 20 0 CCADLP C[C@H](CC(=O)NC[C@H](C)[N@@H+](C)CCCO)n1cc[nH+]c1 ZINC001425032582 928408155 /nfs/dbraw/zinc/40/81/55/928408155.db2.gz XVPMPMTVVFHGIO-OLZOCXBDSA-N 2 2 282.388 0.653 20 0 CCADLP CC(C)[C@@H](CCN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]C[C@@H](C)O ZINC001425157805 928448828 /nfs/dbraw/zinc/44/88/28/928448828.db2.gz GPTHLZWTAFIKRZ-CHWSQXEVSA-N 2 2 296.415 0.796 20 0 CCADLP C[C@@H](O)C[NH2+]CC1(NC(=O)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001425169605 928450696 /nfs/dbraw/zinc/45/06/96/928450696.db2.gz VYOVQWDQWREPKA-GFCCVEGCSA-N 2 2 294.399 0.742 20 0 CCADLP COCC[NH+]1CC([C@@H](C)NC(=O)Cc2c[nH+]cn2C)C1 ZINC001425266433 928485521 /nfs/dbraw/zinc/48/55/21/928485521.db2.gz IJGYIECSPWPTHT-LLVKDONJSA-N 2 2 280.372 0.046 20 0 CCADLP Cc1cc(NC(=O)NCCN2CC[NH+](C)CC2)cc(C)[nH+]1 ZINC001425392252 928536232 /nfs/dbraw/zinc/53/62/32/928536232.db2.gz XOLPFPMKUGBGIC-UHFFFAOYSA-N 2 2 291.399 0.489 20 0 CCADLP COC[C@H](C)[NH2+][C@H](C)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001425611841 928606205 /nfs/dbraw/zinc/60/62/05/928606205.db2.gz SQFJVHJLCKVQLG-OLZOCXBDSA-N 2 2 296.415 0.824 20 0 CCADLP C[C@@H](CC[NH+](C)C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001362922471 928657515 /nfs/dbraw/zinc/65/75/15/928657515.db2.gz PBLXWHHHJCIZQY-KBPBESRZSA-N 2 2 283.416 0.507 20 0 CCADLP CC(C)CC[NH2+][C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001425761252 928659599 /nfs/dbraw/zinc/65/95/99/928659599.db2.gz LAHUTVKLYUKYMX-YNEHKIRRSA-N 2 2 294.399 0.626 20 0 CCADLP CC(C)CC[NH2+][C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001425761252 928659608 /nfs/dbraw/zinc/65/96/08/928659608.db2.gz LAHUTVKLYUKYMX-YNEHKIRRSA-N 2 2 294.399 0.626 20 0 CCADLP Cc1nnc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CC[NH+](C)C)C2)o1 ZINC001425909327 928705454 /nfs/dbraw/zinc/70/54/54/928705454.db2.gz RTALNUHAIVGBCF-PWSUYJOCSA-N 2 2 295.387 0.409 20 0 CCADLP CC[NH2+]C[C@H](O)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001426024611 928733594 /nfs/dbraw/zinc/73/35/94/928733594.db2.gz OSVQIIZOBVZTAU-NSHDSACASA-N 2 2 276.340 0.605 20 0 CCADLP C[C@H]1[C@@H](O)CC[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC001363247612 929024855 /nfs/dbraw/zinc/02/48/55/929024855.db2.gz WPTUYKOXDGNTJB-BPUTZDHNSA-N 2 2 278.396 0.934 20 0 CCADLP C[C@H]1[C@@H](O)CC[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC001363247612 929024867 /nfs/dbraw/zinc/02/48/67/929024867.db2.gz WPTUYKOXDGNTJB-BPUTZDHNSA-N 2 2 278.396 0.934 20 0 CCADLP C[C@H]1[C@@H](O)CC[NH+]1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001363247612 929024881 /nfs/dbraw/zinc/02/48/81/929024881.db2.gz WPTUYKOXDGNTJB-BPUTZDHNSA-N 2 2 278.396 0.934 20 0 CCADLP C[C@H]1[C@@H](O)CC[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001363247612 929024890 /nfs/dbraw/zinc/02/48/90/929024890.db2.gz WPTUYKOXDGNTJB-BPUTZDHNSA-N 2 2 278.396 0.934 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)c1 ZINC001427707066 929088668 /nfs/dbraw/zinc/08/86/68/929088668.db2.gz WNPUSJIHHQBMPU-YPMHNXCESA-N 2 2 277.372 0.308 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c1 ZINC001427707066 929088681 /nfs/dbraw/zinc/08/86/81/929088681.db2.gz WNPUSJIHHQBMPU-YPMHNXCESA-N 2 2 277.372 0.308 20 0 CCADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001363641629 929444010 /nfs/dbraw/zinc/44/40/10/929444010.db2.gz PFXLHZRPOALHQH-NEPJUHHUSA-N 2 2 296.371 0.196 20 0 CCADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001363641629 929444015 /nfs/dbraw/zinc/44/40/15/929444015.db2.gz PFXLHZRPOALHQH-NEPJUHHUSA-N 2 2 296.371 0.196 20 0 CCADLP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CC(S(C)(=O)=O)C3)[C@H]2C1 ZINC001363679707 929481666 /nfs/dbraw/zinc/48/16/66/929481666.db2.gz KINNOJVGPPVMDS-HQXFNHHZSA-N 2 2 272.414 0.492 20 0 CCADLP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CC(S(C)(=O)=O)C3)[C@H]2C1 ZINC001363679707 929481674 /nfs/dbraw/zinc/48/16/74/929481674.db2.gz KINNOJVGPPVMDS-HQXFNHHZSA-N 2 2 272.414 0.492 20 0 CCADLP C[C@@H](CC(=O)N(C)[C@H]1CC[N@H+](CCCO)C1)n1cc[nH+]c1 ZINC001443828756 929716792 /nfs/dbraw/zinc/71/67/92/929716792.db2.gz WRYPGWBLMMWICE-KBPBESRZSA-N 2 2 294.399 0.749 20 0 CCADLP C[C@@H](CC(=O)N(C)[C@H]1CC[N@@H+](CCCO)C1)n1cc[nH+]c1 ZINC001443828756 929716800 /nfs/dbraw/zinc/71/68/00/929716800.db2.gz WRYPGWBLMMWICE-KBPBESRZSA-N 2 2 294.399 0.749 20 0 CCADLP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)Cc1ccn(C)n1 ZINC001372481771 929850484 /nfs/dbraw/zinc/85/04/84/929850484.db2.gz RNPAATBYMYPAOQ-UHFFFAOYSA-N 2 2 295.431 0.698 20 0 CCADLP CC[N@@H+](CCNC(=O)C[NH+](C)C(C)C)Cc1ccn(C)n1 ZINC001372481771 929850496 /nfs/dbraw/zinc/85/04/96/929850496.db2.gz RNPAATBYMYPAOQ-UHFFFAOYSA-N 2 2 295.431 0.698 20 0 CCADLP CC[NH+](CCNC(=O)C[N@H+](C)C(C)C)Cc1ccn(C)n1 ZINC001372481771 929850503 /nfs/dbraw/zinc/85/05/03/929850503.db2.gz RNPAATBYMYPAOQ-UHFFFAOYSA-N 2 2 295.431 0.698 20 0 CCADLP CC[NH+](CCNC(=O)C[N@@H+](C)C(C)C)Cc1ccn(C)n1 ZINC001372481771 929850511 /nfs/dbraw/zinc/85/05/11/929850511.db2.gz RNPAATBYMYPAOQ-UHFFFAOYSA-N 2 2 295.431 0.698 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001372520798 929869000 /nfs/dbraw/zinc/86/90/00/929869000.db2.gz HDYKIEDBVZVKMW-GXTWGEPZSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@@H](C)C[N@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001372520798 929869008 /nfs/dbraw/zinc/86/90/08/929869008.db2.gz HDYKIEDBVZVKMW-GXTWGEPZSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001372520798 929869020 /nfs/dbraw/zinc/86/90/20/929869020.db2.gz HDYKIEDBVZVKMW-GXTWGEPZSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@@H](C)C[N@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001372520798 929869029 /nfs/dbraw/zinc/86/90/29/929869029.db2.gz HDYKIEDBVZVKMW-GXTWGEPZSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001372568618 929883622 /nfs/dbraw/zinc/88/36/22/929883622.db2.gz RWRSYXOUDZAFID-YPMHNXCESA-N 2 2 294.399 0.876 20 0 CCADLP CO[C@H](C)C[N@H+]1CCC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001372568618 929883623 /nfs/dbraw/zinc/88/36/23/929883623.db2.gz RWRSYXOUDZAFID-YPMHNXCESA-N 2 2 294.399 0.876 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001372666850 929909813 /nfs/dbraw/zinc/90/98/13/929909813.db2.gz OGJHJTZAGQSSJZ-JQWIXIFHSA-N 2 2 280.372 0.080 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001372666850 929909821 /nfs/dbraw/zinc/90/98/21/929909821.db2.gz OGJHJTZAGQSSJZ-JQWIXIFHSA-N 2 2 280.372 0.080 20 0 CCADLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccnn1C ZINC001373801515 930344608 /nfs/dbraw/zinc/34/46/08/930344608.db2.gz OKGBAALAFJDQON-LLVKDONJSA-N 2 2 290.371 0.370 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@](C)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001373894887 930365749 /nfs/dbraw/zinc/36/57/49/930365749.db2.gz MHLRBYWZVWSCEE-IINYFYTJSA-N 2 2 280.372 0.208 20 0 CCADLP 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CCN1CC[NH+]([C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001376865529 931306930 /nfs/dbraw/zinc/30/69/30/931306930.db2.gz KIVWDUWRCYGUOV-OAHLLOKOSA-N 2 2 296.459 0.567 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCC[N@H+](C)CCO ZINC001376990691 931347151 /nfs/dbraw/zinc/34/71/51/931347151.db2.gz IGRIVYQKIYPAEE-LBPRGKRZSA-N 2 2 282.388 0.361 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCC[N@@H+](C)CCO ZINC001376990691 931347157 /nfs/dbraw/zinc/34/71/57/931347157.db2.gz IGRIVYQKIYPAEE-LBPRGKRZSA-N 2 2 282.388 0.361 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCC[N@H+](C)CCO ZINC001376990691 931347164 /nfs/dbraw/zinc/34/71/64/931347164.db2.gz IGRIVYQKIYPAEE-LBPRGKRZSA-N 2 2 282.388 0.361 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCC[N@@H+](C)CCO ZINC001376990691 931347168 /nfs/dbraw/zinc/34/71/68/931347168.db2.gz IGRIVYQKIYPAEE-LBPRGKRZSA-N 2 2 282.388 0.361 20 0 CCADLP C[C@@H](CCNC(=O)CCn1cc[nH+]c1)[NH2+]C[C@H]1CCOC1 ZINC001377058407 931371278 /nfs/dbraw/zinc/37/12/78/931371278.db2.gz 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CC[C@@H]1C[N@H+](CCNC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CCO1 ZINC000418604942 529392610 /nfs/dbraw/zinc/39/26/10/529392610.db2.gz YDLDDEGDTBVNJH-MJBXVCDLSA-N 2 2 298.431 0.394 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CCO1 ZINC000418604942 529392612 /nfs/dbraw/zinc/39/26/12/529392612.db2.gz YDLDDEGDTBVNJH-MJBXVCDLSA-N 2 2 298.431 0.394 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@H](C)CCC[NH3+])CCO1 ZINC000418692226 529392358 /nfs/dbraw/zinc/39/23/58/529392358.db2.gz RUTJVFHQNTVCCE-CHWSQXEVSA-N 2 2 286.420 0.524 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@H](C)CCC[NH3+])CCO1 ZINC000418692226 529392360 /nfs/dbraw/zinc/39/23/60/529392360.db2.gz RUTJVFHQNTVCCE-CHWSQXEVSA-N 2 2 286.420 0.524 20 0 CCADLP C[C@H]1C[NH+](CCCNC(=O)CCn2cc[nH+]c2)C[C@H](C)O1 ZINC000338015965 214362708 /nfs/dbraw/zinc/36/27/08/214362708.db2.gz XZQHCHBFPSSFCH-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000423786006 529416974 /nfs/dbraw/zinc/41/69/74/529416974.db2.gz PGDCPTXRGOCGQQ-BZPMIXESSA-N 2 2 299.415 0.456 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000418704336 529445810 /nfs/dbraw/zinc/44/58/10/529445810.db2.gz RKNAANHDWCFDPF-AAEUAGOBSA-N 2 2 278.356 0.982 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000417920882 529449958 /nfs/dbraw/zinc/44/99/58/529449958.db2.gz HGODAUJLVFQEPS-NWDGAFQWSA-N 2 2 277.372 0.697 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000492620863 529555129 /nfs/dbraw/zinc/55/51/29/529555129.db2.gz GQIRPYBKWKNIQH-ISZGNANSSA-N 2 2 278.356 0.099 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000492620863 529555132 /nfs/dbraw/zinc/55/51/32/529555132.db2.gz GQIRPYBKWKNIQH-ISZGNANSSA-N 2 2 278.356 0.099 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000492924556 529559310 /nfs/dbraw/zinc/55/93/10/529559310.db2.gz NENOPEUQRMZMTN-RXNFCKPNSA-N 2 2 278.356 0.363 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000492924556 529559312 /nfs/dbraw/zinc/55/93/12/529559312.db2.gz NENOPEUQRMZMTN-RXNFCKPNSA-N 2 2 278.356 0.363 20 0 CCADLP CCC(C)(C)NC(=O)[C@H](C)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107577282 349738543 /nfs/dbraw/zinc/73/85/43/349738543.db2.gz OSHJRGWWNULUGO-QJPTWQEYSA-N 2 2 253.390 0.831 20 0 CCADLP O=C1c2ccccc2C(=O)N1CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107579005 349738838 /nfs/dbraw/zinc/73/88/38/349738838.db2.gz HGHKTSHUXRBHNW-RYUDHWBXSA-N 2 2 285.347 0.434 20 0 CCADLP CN(C(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000107574196 349738878 /nfs/dbraw/zinc/73/88/78/349738878.db2.gz AGIIJXLGRTYIQE-CHWSQXEVSA-N 2 2 259.353 0.801 20 0 CCADLP Cc1csc2nc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)cc(=O)n12 ZINC000107855490 349741650 /nfs/dbraw/zinc/74/16/50/349741650.db2.gz PMVUENNUVTTZBN-GHMZBOCLSA-N 2 2 290.392 0.716 20 0 CCADLP O=C(NCCn1cc[nH+]c1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108536627 349748552 /nfs/dbraw/zinc/74/85/52/349748552.db2.gz IFUSZLSTZSSIMS-CYBMUJFWSA-N 2 2 277.372 0.667 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)CCc2c[nH+]cn2C)[C@@H](C)CO1 ZINC000617724727 365730667 /nfs/dbraw/zinc/73/06/67/365730667.db2.gz BFVPPQUVXJDMJA-QWHCGFSZSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)CCc2c[nH+]cn2C)[C@@H](C)CO1 ZINC000617724727 365730675 /nfs/dbraw/zinc/73/06/75/365730675.db2.gz BFVPPQUVXJDMJA-QWHCGFSZSA-N 2 2 294.399 0.578 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000617725744 365733924 /nfs/dbraw/zinc/73/39/24/365733924.db2.gz OKRSQBMRRVOZMJ-MNOVXSKESA-N 2 2 280.372 0.486 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000617725744 365733928 /nfs/dbraw/zinc/73/39/28/365733928.db2.gz OKRSQBMRRVOZMJ-MNOVXSKESA-N 2 2 280.372 0.486 20 0 CCADLP COC1(C[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)CCC1 ZINC000573438554 334937597 /nfs/dbraw/zinc/93/75/97/334937597.db2.gz FVKNQOQLAKWJKG-IHRRRGAJSA-N 2 2 286.416 0.615 20 0 CCADLP CC[C@H](C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)[NH+](C)C ZINC000617730555 365741564 /nfs/dbraw/zinc/74/15/64/365741564.db2.gz OGZISVHVFKXZIP-YNEHKIRRSA-N 2 2 271.405 0.552 20 0 CCADLP CC[C@H](C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)[NH+](C)C ZINC000617730555 365741573 /nfs/dbraw/zinc/74/15/73/365741573.db2.gz OGZISVHVFKXZIP-YNEHKIRRSA-N 2 2 271.405 0.552 20 0 CCADLP C[NH2+]CCOCC[N@H+](C)[C@H](C)c1nc(C(=O)OC)co1 ZINC000601326692 362224219 /nfs/dbraw/zinc/22/42/19/362224219.db2.gz VJZYIJJISLFZJI-SNVBAGLBSA-N 2 2 285.344 0.690 20 0 CCADLP C[NH2+]CCOCC[N@@H+](C)[C@H](C)c1nc(C(=O)OC)co1 ZINC000601326692 362224227 /nfs/dbraw/zinc/22/42/27/362224227.db2.gz VJZYIJJISLFZJI-SNVBAGLBSA-N 2 2 285.344 0.690 20 0 CCADLP CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113514206 349815102 /nfs/dbraw/zinc/81/51/02/349815102.db2.gz SXBSXQXZLGURPC-ZDUSSCGKSA-N 2 2 293.415 0.262 20 0 CCADLP CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113514206 349815104 /nfs/dbraw/zinc/81/51/04/349815104.db2.gz SXBSXQXZLGURPC-ZDUSSCGKSA-N 2 2 293.415 0.262 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113513870 349815628 /nfs/dbraw/zinc/81/56/28/349815628.db2.gz RKVZZDNAMNYACS-GFCCVEGCSA-N 2 2 284.404 0.352 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113513870 349815633 /nfs/dbraw/zinc/81/56/33/349815633.db2.gz RKVZZDNAMNYACS-GFCCVEGCSA-N 2 2 284.404 0.352 20 0 CCADLP CCn1nnc(C)c1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617763190 365766296 /nfs/dbraw/zinc/76/62/96/365766296.db2.gz IQVUOROEBOFRLN-UHFFFAOYSA-N 2 2 296.419 0.220 20 0 CCADLP CCn1nnc(C)c1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617763190 365766301 /nfs/dbraw/zinc/76/63/01/365766301.db2.gz IQVUOROEBOFRLN-UHFFFAOYSA-N 2 2 296.419 0.220 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC000617765200 365770455 /nfs/dbraw/zinc/77/04/55/365770455.db2.gz XAMNDJTZNMIULM-CQSZACIVSA-N 3 2 284.448 0.470 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC000617765200 365770460 /nfs/dbraw/zinc/77/04/60/365770460.db2.gz XAMNDJTZNMIULM-CQSZACIVSA-N 3 2 284.448 0.470 20 0 CCADLP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000617765200 365770466 /nfs/dbraw/zinc/77/04/66/365770466.db2.gz XAMNDJTZNMIULM-CQSZACIVSA-N 3 2 284.448 0.470 20 0 CCADLP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC000617765200 365770471 /nfs/dbraw/zinc/77/04/71/365770471.db2.gz XAMNDJTZNMIULM-CQSZACIVSA-N 3 2 284.448 0.470 20 0 CCADLP CCc1nnsc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767846 365773096 /nfs/dbraw/zinc/77/30/96/365773096.db2.gz FYKWYVKTDNBPTR-UHFFFAOYSA-N 2 2 299.444 0.714 20 0 CCADLP CCc1nnsc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767846 365773102 /nfs/dbraw/zinc/77/31/02/365773102.db2.gz FYKWYVKTDNBPTR-UHFFFAOYSA-N 2 2 299.444 0.714 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccco1 ZINC000617768487 365774041 /nfs/dbraw/zinc/77/40/41/365774041.db2.gz GHYJKGBKULFEMV-UHFFFAOYSA-N 2 2 253.346 0.893 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccco1 ZINC000617768487 365774044 /nfs/dbraw/zinc/77/40/44/365774044.db2.gz GHYJKGBKULFEMV-UHFFFAOYSA-N 2 2 253.346 0.893 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CC12CCOCC2 ZINC000617765847 365771300 /nfs/dbraw/zinc/77/13/00/365771300.db2.gz SNMOGEIAZDFJHO-CQSZACIVSA-N 2 2 297.443 0.803 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CC12CCOCC2 ZINC000617765847 365771302 /nfs/dbraw/zinc/77/13/02/365771302.db2.gz SNMOGEIAZDFJHO-CQSZACIVSA-N 2 2 297.443 0.803 20 0 CCADLP Cc1ncsc1C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000113641733 349818143 /nfs/dbraw/zinc/81/81/43/349818143.db2.gz OZCWNSFNGLGNQS-UHFFFAOYSA-N 2 2 268.386 0.315 20 0 CCADLP Cc1ncsc1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000113641733 349818145 /nfs/dbraw/zinc/81/81/45/349818145.db2.gz OZCWNSFNGLGNQS-UHFFFAOYSA-N 2 2 268.386 0.315 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114198711 349823886 /nfs/dbraw/zinc/82/38/86/349823886.db2.gz AIAXCRZNDWAPHS-GHMZBOCLSA-N 2 2 282.388 0.247 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114198711 349823888 /nfs/dbraw/zinc/82/38/88/349823888.db2.gz AIAXCRZNDWAPHS-GHMZBOCLSA-N 2 2 282.388 0.247 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cccc3c2OCCO3)C1 ZINC000358165772 529800715 /nfs/dbraw/zinc/80/07/15/529800715.db2.gz OTHHAQKGMCMCPL-OAHLLOKOSA-N 2 2 278.352 0.614 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cccc3c2OCCO3)C1 ZINC000358165772 529800717 /nfs/dbraw/zinc/80/07/17/529800717.db2.gz OTHHAQKGMCMCPL-OAHLLOKOSA-N 2 2 278.352 0.614 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000126898088 187268806 /nfs/dbraw/zinc/26/88/06/187268806.db2.gz GVGQPNFQFUIUGH-CHWSQXEVSA-N 2 2 283.416 0.602 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)n1C ZINC000425355382 529808255 /nfs/dbraw/zinc/80/82/55/529808255.db2.gz ONCNZLVDCCGFLO-UHTWSYAYSA-N 2 2 264.373 0.689 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)n1C ZINC000425355382 529808257 /nfs/dbraw/zinc/80/82/57/529808257.db2.gz ONCNZLVDCCGFLO-UHTWSYAYSA-N 2 2 264.373 0.689 20 0 CCADLP CN(C)c1ncc(C[NH2+]CCC[NH+]2CCC(O)CC2)n1C ZINC000425341017 529809289 /nfs/dbraw/zinc/80/92/89/529809289.db2.gz FMABUFLZKDQZGY-UHFFFAOYSA-N 2 2 295.431 0.423 20 0 CCADLP CN(C)c1[nH+]cc(CNCCC[NH+]2CCC(O)CC2)n1C ZINC000425341017 529809291 /nfs/dbraw/zinc/80/92/91/529809291.db2.gz FMABUFLZKDQZGY-UHFFFAOYSA-N 2 2 295.431 0.423 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000331934404 529880491 /nfs/dbraw/zinc/88/04/91/529880491.db2.gz NGIWRICYZOHPEE-YPMHNXCESA-N 2 2 296.415 0.494 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000331934404 529880492 /nfs/dbraw/zinc/88/04/92/529880492.db2.gz NGIWRICYZOHPEE-YPMHNXCESA-N 2 2 296.415 0.494 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000331934404 529880494 /nfs/dbraw/zinc/88/04/94/529880494.db2.gz NGIWRICYZOHPEE-YPMHNXCESA-N 2 2 296.415 0.494 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000331934404 529880495 /nfs/dbraw/zinc/88/04/95/529880495.db2.gz NGIWRICYZOHPEE-YPMHNXCESA-N 2 2 296.415 0.494 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CC1(O)CCC1 ZINC000448973695 529903796 /nfs/dbraw/zinc/90/37/96/529903796.db2.gz DRALYZSSNUVRCQ-UHFFFAOYSA-N 2 2 297.443 0.776 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CC1(O)CCC1 ZINC000448973695 529903797 /nfs/dbraw/zinc/90/37/97/529903797.db2.gz DRALYZSSNUVRCQ-UHFFFAOYSA-N 2 2 297.443 0.776 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H](C[NH3+])c1ccccc1 ZINC000423746343 529911352 /nfs/dbraw/zinc/91/13/52/529911352.db2.gz QYFXHAMBAQHRPY-OAHLLOKOSA-N 2 2 291.395 0.520 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000418402336 529981697 /nfs/dbraw/zinc/98/16/97/529981697.db2.gz ZCLLBYLJOUVNGD-OLZOCXBDSA-N 2 2 286.420 0.204 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)CC1(O)CCCCCC1 ZINC000187347987 282345957 /nfs/dbraw/zinc/34/59/57/282345957.db2.gz NGAQAIRGBCMYBV-UHFFFAOYSA-N 2 2 297.443 0.778 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)CC1(O)CCCCCC1 ZINC000187347987 282345963 /nfs/dbraw/zinc/34/59/63/282345963.db2.gz NGAQAIRGBCMYBV-UHFFFAOYSA-N 2 2 297.443 0.778 20 0 CCADLP C[N@H+](CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)C1CC([NH3+])C1 ZINC000420340818 282347523 /nfs/dbraw/zinc/34/75/23/282347523.db2.gz UPETVWNGJXLVCG-CLRIEMFWSA-N 2 2 281.400 0.578 20 0 CCADLP C[N@@H+](CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)C1CC([NH3+])C1 ZINC000420340818 282347524 /nfs/dbraw/zinc/34/75/24/282347524.db2.gz UPETVWNGJXLVCG-CLRIEMFWSA-N 2 2 281.400 0.578 20 0 CCADLP CN1CC[N@H+](C)[C@H](CNC(=O)C[C@@H]2CCC[NH2+]CC2)C1 ZINC000427292898 530070841 /nfs/dbraw/zinc/07/08/41/530070841.db2.gz VSTCOESMUBAKIK-ZIAGYGMSSA-N 2 2 282.432 0.128 20 0 CCADLP CN1CC[N@@H+](C)[C@H](CNC(=O)C[C@@H]2CCC[NH2+]CC2)C1 ZINC000427292898 530070842 /nfs/dbraw/zinc/07/08/42/530070842.db2.gz VSTCOESMUBAKIK-ZIAGYGMSSA-N 2 2 282.432 0.128 20 0 CCADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(F)cn1 ZINC000358228383 232066503 /nfs/dbraw/zinc/06/65/03/232066503.db2.gz FQWFZNKHIJJASM-GXFFZTMASA-N 2 2 253.321 0.938 20 0 CCADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(F)cn1 ZINC000358228383 232066506 /nfs/dbraw/zinc/06/65/06/232066506.db2.gz FQWFZNKHIJJASM-GXFFZTMASA-N 2 2 253.321 0.938 20 0 CCADLP CN(CC1CC1)C(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420345900 282387088 /nfs/dbraw/zinc/38/70/88/282387088.db2.gz BWGVMXKIJKFQFW-HNNXBMFYSA-N 2 2 265.401 0.930 20 0 CCADLP CN(CC1CC1)C(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420345900 282387090 /nfs/dbraw/zinc/38/70/90/282387090.db2.gz BWGVMXKIJKFQFW-HNNXBMFYSA-N 2 2 265.401 0.930 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000602330011 362589436 /nfs/dbraw/zinc/58/94/36/362589436.db2.gz ANAAPJHGTRIWQW-ZFWWWQNUSA-N 3 2 294.443 0.365 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000602330011 362589439 /nfs/dbraw/zinc/58/94/39/362589439.db2.gz ANAAPJHGTRIWQW-ZFWWWQNUSA-N 3 2 294.443 0.365 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602330011 362589444 /nfs/dbraw/zinc/58/94/44/362589444.db2.gz ANAAPJHGTRIWQW-ZFWWWQNUSA-N 3 2 294.443 0.365 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602330011 362589449 /nfs/dbraw/zinc/58/94/49/362589449.db2.gz ANAAPJHGTRIWQW-ZFWWWQNUSA-N 3 2 294.443 0.365 20 0 CCADLP COC(=O)c1[nH]c(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1C ZINC000602495787 362644897 /nfs/dbraw/zinc/64/48/97/362644897.db2.gz WSBNAXZYXSDDQK-GHMZBOCLSA-N 2 2 263.341 0.761 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000602503440 362647957 /nfs/dbraw/zinc/64/79/57/362647957.db2.gz JQMGMCNLGLUGNH-NEPJUHHUSA-N 2 2 285.388 0.080 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)on1 ZINC000602546032 362669989 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C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261575787 137009479 /nfs/dbraw/zinc/00/94/79/137009479.db2.gz BTOXVWMJEFRVTK-RDBSUJKOSA-N 2 2 265.401 0.929 20 0 CCADLP C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261575787 137009480 /nfs/dbraw/zinc/00/94/80/137009480.db2.gz BTOXVWMJEFRVTK-RDBSUJKOSA-N 2 2 265.401 0.929 20 0 CCADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261576558 137009727 /nfs/dbraw/zinc/00/97/27/137009727.db2.gz NTEDMTUJDMEVTK-YNEHKIRRSA-N 2 2 253.390 0.831 20 0 CCADLP CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261576558 137009728 /nfs/dbraw/zinc/00/97/28/137009728.db2.gz NTEDMTUJDMEVTK-YNEHKIRRSA-N 2 2 253.390 0.831 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000261579146 137010018 /nfs/dbraw/zinc/01/00/18/137010018.db2.gz DPWVBGBMXSPORG-UKRRQHHQSA-N 2 2 265.401 0.930 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000261579146 137010019 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CCADLP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263039974 137057144 /nfs/dbraw/zinc/05/71/44/137057144.db2.gz STKVRLSPNLDLBK-VHSXEESVSA-N 2 2 263.332 0.830 20 0 CCADLP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261704207 137016465 /nfs/dbraw/zinc/01/64/65/137016465.db2.gz OOQGXQZBBFUMFW-DZGCQCFKSA-N 2 2 294.443 0.413 20 0 CCADLP CCOC(=O)c1n[nH]c(C2CC[NH+](CC(C)(C)[NH3+])CC2)n1 ZINC000261824363 137021342 /nfs/dbraw/zinc/02/13/42/137021342.db2.gz QTOVVHUWHYJRCE-UHFFFAOYSA-N 2 2 295.387 0.898 20 0 CCADLP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)O1 ZINC000261869869 137023530 /nfs/dbraw/zinc/02/35/30/137023530.db2.gz SVTMODIEDNWCKJ-UTUOFQBUSA-N 2 2 278.356 0.622 20 0 CCADLP C[C@H]([NH3+])CC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000261930571 137026453 /nfs/dbraw/zinc/02/64/53/137026453.db2.gz YWMJVTFFISBVHW-AAEUAGOBSA-N 2 2 287.429 0.048 20 0 CCADLP COC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000263264350 137062010 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COCC[N@@H+]1CC[C@@H]([NH2+]CCc2cnn(C)c2)C1 ZINC000328462041 137079937 /nfs/dbraw/zinc/07/99/37/137079937.db2.gz HOLPOYAYUUBYPA-CYBMUJFWSA-N 2 2 252.362 0.273 20 0 CCADLP COCC[N@H+]1CC[C@@H]([NH2+]CCc2cnn(C)c2)C1 ZINC000328462041 137079938 /nfs/dbraw/zinc/07/99/38/137079938.db2.gz HOLPOYAYUUBYPA-CYBMUJFWSA-N 2 2 252.362 0.273 20 0 CCADLP CCNC(=O)CN1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000343259186 137122863 /nfs/dbraw/zinc/12/28/63/137122863.db2.gz LPRBHCXDHYUIGW-UHFFFAOYSA-N 2 2 279.388 0.027 20 0 CCADLP [NH3+]CC[N@H+](CCO)CCC(=O)Nc1ccccc1 ZINC000342424388 137093559 /nfs/dbraw/zinc/09/35/59/137093559.db2.gz RAEXYWKENBUVJR-UHFFFAOYSA-N 2 2 251.330 0.268 20 0 CCADLP [NH3+]CC[N@@H+](CCO)CCC(=O)Nc1ccccc1 ZINC000342424388 137093560 /nfs/dbraw/zinc/09/35/60/137093560.db2.gz RAEXYWKENBUVJR-UHFFFAOYSA-N 2 2 251.330 0.268 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCO[C@H]3CCC[C@H]32)CC1 ZINC000343066868 137113057 /nfs/dbraw/zinc/11/30/57/137113057.db2.gz WYUAIJKHNISMOF-CABCVRRESA-N 2 2 295.427 0.840 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCO[C@H]3CCC[C@H]32)CC1 ZINC000343066868 137113058 /nfs/dbraw/zinc/11/30/58/137113058.db2.gz WYUAIJKHNISMOF-CABCVRRESA-N 2 2 295.427 0.840 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](O)COCC(C)C)C1 ZINC000343714441 137152106 /nfs/dbraw/zinc/15/21/06/137152106.db2.gz NYNZTBAQBFIBMN-MELADBBJSA-N 2 2 258.406 0.950 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](O)COCC(C)C)C1 ZINC000343714441 137152107 /nfs/dbraw/zinc/15/21/07/137152107.db2.gz NYNZTBAQBFIBMN-MELADBBJSA-N 2 2 258.406 0.950 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1[nH+]ccn1C ZINC000344024528 137173854 /nfs/dbraw/zinc/17/38/54/137173854.db2.gz VNYILOYVRULPKR-JTQLQIEISA-N 2 2 262.317 0.505 20 0 CCADLP [NH3+]Cc1cc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)ccn1 ZINC000344101401 137177112 /nfs/dbraw/zinc/17/71/12/137177112.db2.gz DCRUKFMCUBQHIG-ZDUSSCGKSA-N 2 2 297.362 0.944 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)CN2CC[NH+](C)C[C@H]2C)C[C@H](C)O1 ZINC000344372140 137190787 /nfs/dbraw/zinc/19/07/87/137190787.db2.gz JEAJMNKMGLPEIT-KBXIAJHMSA-N 2 2 285.432 0.092 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)CN2CC[NH+](C)C[C@H]2C)C[C@H](C)O1 ZINC000344372140 137190788 /nfs/dbraw/zinc/19/07/88/137190788.db2.gz JEAJMNKMGLPEIT-KBXIAJHMSA-N 2 2 285.432 0.092 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN2CC[N@H+](C)C[C@H]2C)C[C@H](C)O1 ZINC000344372140 137190789 /nfs/dbraw/zinc/19/07/89/137190789.db2.gz JEAJMNKMGLPEIT-KBXIAJHMSA-N 2 2 285.432 0.092 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN2CC[N@@H+](C)C[C@H]2C)C[C@H](C)O1 ZINC000344372140 137190790 /nfs/dbraw/zinc/19/07/90/137190790.db2.gz JEAJMNKMGLPEIT-KBXIAJHMSA-N 2 2 285.432 0.092 20 0 CCADLP C[C@H]1C[C@H](C(=O)N(C)CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000344181733 137181732 /nfs/dbraw/zinc/18/17/32/137181732.db2.gz ZBISQPHSQMNSMI-UONOGXRCSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@H]1C[C@H](C(=O)N(C)CC[NH+]2CCOCC2)CC[N@H+]1C ZINC000344181733 137181733 /nfs/dbraw/zinc/18/17/33/137181733.db2.gz ZBISQPHSQMNSMI-UONOGXRCSA-N 2 2 283.416 0.507 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000344223249 137184816 /nfs/dbraw/zinc/18/48/16/137184816.db2.gz ZUULNKNKBGDLFQ-KKUMJFAQSA-N 3 2 268.449 0.552 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000344223249 137184817 /nfs/dbraw/zinc/18/48/17/137184817.db2.gz ZUULNKNKBGDLFQ-KKUMJFAQSA-N 3 2 268.449 0.552 20 0 CCADLP O=C([C@@H]1CSC[NH2+]1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019428892 348062319 /nfs/dbraw/zinc/06/23/19/348062319.db2.gz KIXIRXCTZQZHSU-AWEZNQCLSA-N 2 2 291.420 0.993 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000684436680 545670615 /nfs/dbraw/zinc/67/06/15/545670615.db2.gz JGHGFPMNMKTZET-CYBMUJFWSA-N 2 2 276.384 0.953 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000684436680 545670620 /nfs/dbraw/zinc/67/06/20/545670620.db2.gz JGHGFPMNMKTZET-CYBMUJFWSA-N 2 2 276.384 0.953 20 0 CCADLP Cn1nnc2cc(C[NH2+]C[C@](C)(O)C[NH+](C)C)ccc21 ZINC000344846269 137217003 /nfs/dbraw/zinc/21/70/03/137217003.db2.gz LCWAHTSVJOEGOH-AWEZNQCLSA-N 2 2 277.372 0.371 20 0 CCADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCC[NH2+]1 ZINC000036882381 348174241 /nfs/dbraw/zinc/17/42/41/348174241.db2.gz XECDYUNUHPDLPX-ZDUSSCGKSA-N 2 2 274.368 0.919 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000040600003 348238782 /nfs/dbraw/zinc/23/87/82/348238782.db2.gz CHQABFWQJWUUSL-NSHDSACASA-N 2 2 284.404 0.542 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000040600003 348238784 /nfs/dbraw/zinc/23/87/84/348238784.db2.gz CHQABFWQJWUUSL-NSHDSACASA-N 2 2 284.404 0.542 20 0 CCADLP [NH3+][C@@H]1CCC[C@H](C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000346295958 137277556 /nfs/dbraw/zinc/27/75/56/137277556.db2.gz UJLGSOQHNNLFNV-QWHCGFSZSA-N 2 2 291.399 0.571 20 0 CCADLP C[C@H](O)C[N@H+](C)C1CCN(CCn2cc[nH+]c2)CC1 ZINC000346323224 137279046 /nfs/dbraw/zinc/27/90/46/137279046.db2.gz KFLVYABFNSYKDE-ZDUSSCGKSA-N 2 2 266.389 0.660 20 0 CCADLP C[C@H](O)C[N@@H+](C)C1CCN(CCn2cc[nH+]c2)CC1 ZINC000346323224 137279047 /nfs/dbraw/zinc/27/90/47/137279047.db2.gz KFLVYABFNSYKDE-ZDUSSCGKSA-N 2 2 266.389 0.660 20 0 CCADLP C[C@H](O)C[N@H+](C)C1CC[NH+](CCn2ccnc2)CC1 ZINC000346323224 137279048 /nfs/dbraw/zinc/27/90/48/137279048.db2.gz KFLVYABFNSYKDE-ZDUSSCGKSA-N 2 2 266.389 0.660 20 0 CCADLP C[C@H](O)C[N@@H+](C)C1CC[NH+](CCn2ccnc2)CC1 ZINC000346323224 137279049 /nfs/dbraw/zinc/27/90/49/137279049.db2.gz KFLVYABFNSYKDE-ZDUSSCGKSA-N 2 2 266.389 0.660 20 0 CCADLP C[C@@H]1CCC[N@H+](CCNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000042950662 348302407 /nfs/dbraw/zinc/30/24/07/348302407.db2.gz OWNBNCCBZHNHCC-CQSZACIVSA-N 2 2 298.431 0.350 20 0 CCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000042950662 348302410 /nfs/dbraw/zinc/30/24/10/348302410.db2.gz OWNBNCCBZHNHCC-CQSZACIVSA-N 2 2 298.431 0.350 20 0 CCADLP C[C@H](CNC(=O)C(C)(C)[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000346223159 137273655 /nfs/dbraw/zinc/27/36/55/137273655.db2.gz QAECDGFUJBDPEZ-CQSZACIVSA-N 2 2 297.443 0.945 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000346238122 137274344 /nfs/dbraw/zinc/27/43/44/137274344.db2.gz ZXIQHWIJUXMYCT-NSHDSACASA-N 2 2 257.378 0.164 20 0 CCADLP COC(=O)[C@@]1(C)C[C@@H](OC)C[N@@H+]1CCn1cc[nH+]c1C ZINC000602934253 362896034 /nfs/dbraw/zinc/89/60/34/362896034.db2.gz FWMFORAVPMHCFK-TZMCWYRMSA-N 2 2 281.356 0.844 20 0 CCADLP COC(=O)[C@@]1(C)C[C@@H](OC)C[N@H+]1CCn1cc[nH+]c1C ZINC000602934253 362896038 /nfs/dbraw/zinc/89/60/38/362896038.db2.gz FWMFORAVPMHCFK-TZMCWYRMSA-N 2 2 281.356 0.844 20 0 CCADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC000346813992 137305657 /nfs/dbraw/zinc/30/56/57/137305657.db2.gz QZAPVYVKVIHCEK-GFCCVEGCSA-N 2 2 271.405 0.290 20 0 CCADLP Cc1cnn(C[C@@H]2C[N@H+](C[C@H]3CCC[NH2+]C3)CCO2)c1 ZINC000346847602 137308037 /nfs/dbraw/zinc/30/80/37/137308037.db2.gz DHKBJSZVRWUZBQ-GJZGRUSLSA-N 2 2 278.400 0.892 20 0 CCADLP Cc1cnn(C[C@@H]2C[N@@H+](C[C@H]3CCC[NH2+]C3)CCO2)c1 ZINC000346847602 137308038 /nfs/dbraw/zinc/30/80/38/137308038.db2.gz DHKBJSZVRWUZBQ-GJZGRUSLSA-N 2 2 278.400 0.892 20 0 CCADLP COC[C@@H](O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347124530 137321326 /nfs/dbraw/zinc/32/13/26/137321326.db2.gz QCPWQIPJGKKUSR-AAEUAGOBSA-N 2 2 252.314 0.542 20 0 CCADLP COC[C@@H](O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347124530 137321327 /nfs/dbraw/zinc/32/13/27/137321327.db2.gz QCPWQIPJGKKUSR-AAEUAGOBSA-N 2 2 252.314 0.542 20 0 CCADLP C[C@H](CNC(=O)CCOC1C[NH2+]C1)Cn1cc[nH+]c1 ZINC000349057171 137385450 /nfs/dbraw/zinc/38/54/50/137385450.db2.gz QZPXVKXSLYZGFF-LLVKDONJSA-N 2 2 266.345 0.014 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]1C ZINC000349643175 137397896 /nfs/dbraw/zinc/39/78/96/137397896.db2.gz HOZUIPAIQSPGLQ-ZDUSSCGKSA-N 2 2 299.415 0.422 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]1C ZINC000349643175 137397897 /nfs/dbraw/zinc/39/78/97/137397897.db2.gz HOZUIPAIQSPGLQ-ZDUSSCGKSA-N 2 2 299.415 0.422 20 0 CCADLP COC(=O)CC[NH+]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC000349643175 137397898 /nfs/dbraw/zinc/39/78/98/137397898.db2.gz HOZUIPAIQSPGLQ-ZDUSSCGKSA-N 2 2 299.415 0.422 20 0 CCADLP COC(=O)CC[NH+]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC000349643175 137397899 /nfs/dbraw/zinc/39/78/99/137397899.db2.gz HOZUIPAIQSPGLQ-ZDUSSCGKSA-N 2 2 299.415 0.422 20 0 CCADLP CN(C(=O)CCn1cc[nH+]c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000347955989 137365853 /nfs/dbraw/zinc/36/58/53/137365853.db2.gz UISYYWDUFVGXEM-CYBMUJFWSA-N 2 2 262.357 0.826 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@]1(C)CCOC1 ZINC000348047385 137370480 /nfs/dbraw/zinc/37/04/80/137370480.db2.gz OXYXULYZDVGZLL-INIZCTEOSA-N 2 2 297.443 0.897 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@]1(C)CCOC1 ZINC000348047385 137370481 /nfs/dbraw/zinc/37/04/81/137370481.db2.gz OXYXULYZDVGZLL-INIZCTEOSA-N 2 2 297.443 0.897 20 0 CCADLP C[C@H](C(=O)N1CCC[C@@H]1C[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000348881394 137380161 /nfs/dbraw/zinc/38/01/61/137380161.db2.gz WWEVBWLCTOSFFI-ZIAGYGMSSA-N 2 2 282.432 0.175 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccc(F)c(F)c2)CC1 ZINC000049577816 348457113 /nfs/dbraw/zinc/45/71/13/348457113.db2.gz KPOVJIBRFNELQB-UHFFFAOYSA-N 2 2 283.322 0.828 20 0 CCADLP C[C@H](C[NH3+])C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000054340614 348552498 /nfs/dbraw/zinc/55/24/98/348552498.db2.gz VQMDYBWKQRFBSK-GFCCVEGCSA-N 2 2 262.357 0.321 20 0 CCADLP Cc1nnc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)o1 ZINC000051957573 348501144 /nfs/dbraw/zinc/50/11/44/348501144.db2.gz SGRUYGLSRZDSJZ-UHFFFAOYSA-N 2 2 280.372 0.922 20 0 CCADLP CC[C@@]1(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC[NH2+]C1 ZINC000062891875 348671355 /nfs/dbraw/zinc/67/13/55/348671355.db2.gz NWNKILXHSMQWJN-TZMCWYRMSA-N 2 2 269.389 0.213 20 0 CCADLP O=C([C@H]1CC[NH2+]C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000062112314 348664076 /nfs/dbraw/zinc/66/40/76/348664076.db2.gz KUQTVJXFYHNOQG-LBPRGKRZSA-N 2 2 260.341 0.340 20 0 CCADLP [NH3+][C@@H]1CCC[C@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000070574136 348892919 /nfs/dbraw/zinc/89/29/19/348892919.db2.gz WCLJGYAHZDHXQB-NWDGAFQWSA-N 2 2 250.346 0.907 20 0 CCADLP CN(C)C(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069802692 348861772 /nfs/dbraw/zinc/86/17/72/348861772.db2.gz HETPBRJJKPAGNU-AWEZNQCLSA-N 2 2 283.416 0.509 20 0 CCADLP CN(C)C(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069802692 348861776 /nfs/dbraw/zinc/86/17/76/348861776.db2.gz HETPBRJJKPAGNU-AWEZNQCLSA-N 2 2 283.416 0.509 20 0 CCADLP CC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000070010710 348868644 /nfs/dbraw/zinc/86/86/44/348868644.db2.gz DAFHBEQXPQSZSZ-ZIAGYGMSSA-N 2 2 256.390 0.802 20 0 CCADLP CC[C@@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000070010710 348868647 /nfs/dbraw/zinc/86/86/47/348868647.db2.gz DAFHBEQXPQSZSZ-ZIAGYGMSSA-N 2 2 256.390 0.802 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+])C(C)C ZINC000070150150 348873485 /nfs/dbraw/zinc/87/34/85/348873485.db2.gz ZRLDPAZADQEJEO-UKRRQHHQSA-N 2 2 283.416 0.920 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+])C(C)C ZINC000070150150 348873488 /nfs/dbraw/zinc/87/34/88/348873488.db2.gz ZRLDPAZADQEJEO-UKRRQHHQSA-N 2 2 283.416 0.920 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075861506 349055270 /nfs/dbraw/zinc/05/52/70/349055270.db2.gz MSMDNXIZCRJSOB-LBPRGKRZSA-N 2 2 284.404 0.638 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075861506 349055271 /nfs/dbraw/zinc/05/52/71/349055271.db2.gz MSMDNXIZCRJSOB-LBPRGKRZSA-N 2 2 284.404 0.638 20 0 CCADLP CCNC(=O)NC(=O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075861506 349055272 /nfs/dbraw/zinc/05/52/72/349055272.db2.gz MSMDNXIZCRJSOB-LBPRGKRZSA-N 2 2 284.404 0.638 20 0 CCADLP CCNC(=O)NC(=O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075861506 349055273 /nfs/dbraw/zinc/05/52/73/349055273.db2.gz MSMDNXIZCRJSOB-LBPRGKRZSA-N 2 2 284.404 0.638 20 0 CCADLP C[C@@H]1C[NH+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC000076113042 349070414 /nfs/dbraw/zinc/07/04/14/349070414.db2.gz HKVPRMJCGBJAIP-ZIAGYGMSSA-N 2 2 297.443 0.801 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCN(S(=O)(=O)C2CC2)CC1 ZINC000077122031 349099357 /nfs/dbraw/zinc/09/93/57/349099357.db2.gz YKUQADHXSRLAIO-UHFFFAOYSA-N 2 2 298.412 0.301 20 0 CCADLP C[NH+]1CCC(NC(=O)NCCCn2cc[nH+]c2)CC1 ZINC000077827725 349123378 /nfs/dbraw/zinc/12/33/78/349123378.db2.gz NGXSCAWCANUKDK-UHFFFAOYSA-N 2 2 265.361 0.667 20 0 CCADLP C[C@@H]1C[NH+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H](C)N1C ZINC000339616284 215271315 /nfs/dbraw/zinc/27/13/15/215271315.db2.gz FZGLPQQTWDXSEH-ZIAGYGMSSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@@H]1CN(CCC(=O)N2CC[NH+](C)CC2)C[C@@H](C)[NH+]1C ZINC000339616284 215271318 /nfs/dbraw/zinc/27/13/18/215271318.db2.gz FZGLPQQTWDXSEH-ZIAGYGMSSA-N 2 2 282.432 0.175 20 0 CCADLP O=C1CCC(=O)N1CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959680 349234764 /nfs/dbraw/zinc/23/47/64/349234764.db2.gz YSNGGSBABABDMX-NSHDSACASA-N 2 2 276.340 0.738 20 0 CCADLP O=C1CCC(=O)N1CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959680 349234766 /nfs/dbraw/zinc/23/47/66/349234766.db2.gz YSNGGSBABABDMX-NSHDSACASA-N 2 2 276.340 0.738 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NC(=O)NCC)C1 ZINC000081569450 349275224 /nfs/dbraw/zinc/27/52/24/349275224.db2.gz SUVUOXVZDYLUFR-LBPRGKRZSA-N 2 2 284.404 0.496 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NC(=O)NCC)C1 ZINC000081569450 349275227 /nfs/dbraw/zinc/27/52/27/349275227.db2.gz SUVUOXVZDYLUFR-LBPRGKRZSA-N 2 2 284.404 0.496 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC(=O)NCC)C1 ZINC000081569450 349275228 /nfs/dbraw/zinc/27/52/28/349275228.db2.gz SUVUOXVZDYLUFR-LBPRGKRZSA-N 2 2 284.404 0.496 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NCC)C1 ZINC000081569450 349275230 /nfs/dbraw/zinc/27/52/30/349275230.db2.gz SUVUOXVZDYLUFR-LBPRGKRZSA-N 2 2 284.404 0.496 20 0 CCADLP COC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000086700695 349344935 /nfs/dbraw/zinc/34/49/35/349344935.db2.gz KMZKQPIGFRNSLO-GFCCVEGCSA-N 2 2 257.378 0.021 20 0 CCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)C1([NH3+])CC1 ZINC000088130789 349356532 /nfs/dbraw/zinc/35/65/32/349356532.db2.gz UDGAXWSJMPMXTP-UHFFFAOYSA-N 2 2 258.325 0.952 20 0 CCADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)CC(=O)N(C)C ZINC000090046840 349423400 /nfs/dbraw/zinc/42/34/00/349423400.db2.gz RZECWZQKQMEXAF-STQMWFEESA-N 2 2 271.405 0.554 20 0 CCADLP COc1ccc(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000120770102 350004958 /nfs/dbraw/zinc/00/49/58/350004958.db2.gz FSQLNDLCLRCWCU-ZDUSSCGKSA-N 2 2 277.368 0.339 20 0 CCADLP COc1ccc(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000120770102 350004963 /nfs/dbraw/zinc/00/49/63/350004963.db2.gz FSQLNDLCLRCWCU-ZDUSSCGKSA-N 2 2 277.368 0.339 20 0 CCADLP C[C@H](C(=O)NCCc1c[nH+]cn1C)[NH+]1CCSCC1 ZINC000121266152 350030673 /nfs/dbraw/zinc/03/06/73/350030673.db2.gz OAVGHIWRGXTWEE-LLVKDONJSA-N 2 2 282.413 0.516 20 0 CCADLP C[N@H+]1CCN(C(=O)Nc2ccccc2F)[C@@H](C[NH3+])C1 ZINC000122666750 350068325 /nfs/dbraw/zinc/06/83/25/350068325.db2.gz VJIOGCQCUXXPDI-JTQLQIEISA-N 2 2 266.320 0.932 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NC(=O)NC(C)(C)C ZINC000124588145 350102755 /nfs/dbraw/zinc/10/27/55/350102755.db2.gz IMWXFOPXEQQDLK-ZJUUUORDSA-N 2 2 270.377 0.422 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NC(=O)NC(C)(C)C ZINC000124588145 350102760 /nfs/dbraw/zinc/10/27/60/350102760.db2.gz IMWXFOPXEQQDLK-ZJUUUORDSA-N 2 2 270.377 0.422 20 0 CCADLP CC[NH+](CC)CCCNC(=O)NCC[NH+]1CCOCC1 ZINC000124859508 350109609 /nfs/dbraw/zinc/10/96/09/350109609.db2.gz OKQCNGAIBUWNLP-UHFFFAOYSA-N 2 2 286.420 0.350 20 0 CCADLP COC(=O)[C@@]1([NH2+]CCCn2cc[nH+]c2C)CCOC1 ZINC000271259066 191035249 /nfs/dbraw/zinc/03/52/49/191035249.db2.gz ULILTRQVJBFZAI-CYBMUJFWSA-N 2 2 267.329 0.503 20 0 CCADLP C[NH2+]CCC[N@H+](C)CC(=O)NCCOc1ccccc1 ZINC000127241867 350164714 /nfs/dbraw/zinc/16/47/14/350164714.db2.gz YAVBHNQEIMQPHU-UHFFFAOYSA-N 2 2 279.384 0.723 20 0 CCADLP C[NH2+]CCC[N@@H+](C)CC(=O)NCCOc1ccccc1 ZINC000127241867 350164716 /nfs/dbraw/zinc/16/47/16/350164716.db2.gz YAVBHNQEIMQPHU-UHFFFAOYSA-N 2 2 279.384 0.723 20 0 CCADLP O=C(C[C@@H]1C[NH2+]CCO1)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000091300028 180126767 /nfs/dbraw/zinc/12/67/67/180126767.db2.gz KLJNEGPPMHSFIN-GFCCVEGCSA-N 2 2 287.323 0.584 20 0 CCADLP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129483431 350215702 /nfs/dbraw/zinc/21/57/02/350215702.db2.gz XBGXMOSOJODHSL-OAHLLOKOSA-N 2 2 295.427 0.509 20 0 CCADLP CN(CC1CC1)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129483431 350215704 /nfs/dbraw/zinc/21/57/04/350215704.db2.gz XBGXMOSOJODHSL-OAHLLOKOSA-N 2 2 295.427 0.509 20 0 CCADLP O=C(C[C@@H]1CC[NH2+]C1)NCCCNc1cccc[nH+]1 ZINC000130461898 350238260 /nfs/dbraw/zinc/23/82/60/350238260.db2.gz QYCMRBJCJPHUBQ-LBPRGKRZSA-N 2 2 262.357 0.999 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)CCc1[nH]cc[nH+]1)C1CC1 ZINC000351962733 137462054 /nfs/dbraw/zinc/46/20/54/137462054.db2.gz BMODBJLFILIEOM-LLVKDONJSA-N 2 2 250.346 0.799 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CCn2cc[nH+]c2)CC1 ZINC000131749969 350285757 /nfs/dbraw/zinc/28/57/57/350285757.db2.gz OCKMZCLJXGINGM-CQSZACIVSA-N 2 2 291.399 0.122 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(CCn2cc[nH+]c2)CC1 ZINC000131749969 350285759 /nfs/dbraw/zinc/28/57/59/350285759.db2.gz OCKMZCLJXGINGM-CQSZACIVSA-N 2 2 291.399 0.122 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNc2ccnc(C(N)=O)c2)CC1 ZINC000132589752 350311907 /nfs/dbraw/zinc/31/19/07/350311907.db2.gz RXEGAENTZHGCND-UHFFFAOYSA-N 2 2 291.399 0.618 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCc2cccnc2)[C@H](C[NH3+])C1 ZINC000132840584 350317753 /nfs/dbraw/zinc/31/77/53/350317753.db2.gz IUSQOSWEBSPHGO-CYBMUJFWSA-N 2 2 262.357 0.116 20 0 CCADLP C[N@H+]1CCN(C(=O)CCc2cccnc2)[C@H](C[NH3+])C1 ZINC000132840584 350317758 /nfs/dbraw/zinc/31/77/58/350317758.db2.gz IUSQOSWEBSPHGO-CYBMUJFWSA-N 2 2 262.357 0.116 20 0 CCADLP CCC[NH+]1CCN(c2nc[nH+]c(N)c2OC)CC1 ZINC000134793603 350375956 /nfs/dbraw/zinc/37/59/56/350375956.db2.gz AJZLNAIDOZUVJV-UHFFFAOYSA-N 2 2 251.334 0.599 20 0 CCADLP CC[NH+](CC)[C@H]1CCN(c2nc[nH+]c(N)c2OC)C1 ZINC000134886037 350378848 /nfs/dbraw/zinc/37/88/48/350378848.db2.gz BYWLCDBYTSLOHA-JTQLQIEISA-N 2 2 265.361 0.988 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000092134628 180332814 /nfs/dbraw/zinc/33/28/14/180332814.db2.gz UCQZXFRQEVDVDP-ZDUSSCGKSA-N 2 2 276.384 0.581 20 0 CCADLP C[C@H](C(=O)NCCn1cc[nH+]c1)[NH+]1CCSCC1 ZINC000151438140 350501257 /nfs/dbraw/zinc/50/12/57/350501257.db2.gz AURGZIXNGQOCDJ-LLVKDONJSA-N 2 2 268.386 0.437 20 0 CCADLP Cc1cc(NC(=O)C[N@H+](C)C[C@H]2CCC[NH+](C)C2)n(C)n1 ZINC000152483154 350530715 /nfs/dbraw/zinc/53/07/15/350530715.db2.gz FLMBZDVXFOPWCL-ZDUSSCGKSA-N 2 2 293.415 0.941 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)n(C)n1 ZINC000152483154 350530718 /nfs/dbraw/zinc/53/07/18/350530718.db2.gz FLMBZDVXFOPWCL-ZDUSSCGKSA-N 2 2 293.415 0.941 20 0 CCADLP Cc1cc(NC(=O)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)n(C)n1 ZINC000152483154 350530721 /nfs/dbraw/zinc/53/07/21/350530721.db2.gz FLMBZDVXFOPWCL-ZDUSSCGKSA-N 2 2 293.415 0.941 20 0 CCADLP Cc1cc(NC(=O)C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)n(C)n1 ZINC000152483154 350530724 /nfs/dbraw/zinc/53/07/24/350530724.db2.gz FLMBZDVXFOPWCL-ZDUSSCGKSA-N 2 2 293.415 0.941 20 0 CCADLP O=c1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)nc2ccccn12 ZINC000107855681 186195850 /nfs/dbraw/zinc/19/58/50/186195850.db2.gz BQIUXTDANCZJHM-TXEJJXNPSA-N 2 2 270.336 0.346 20 0 CCADLP O=c1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)nc2ccccn12 ZINC000107855681 186195851 /nfs/dbraw/zinc/19/58/51/186195851.db2.gz BQIUXTDANCZJHM-TXEJJXNPSA-N 2 2 270.336 0.346 20 0 CCADLP CN(C(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000107574192 186179836 /nfs/dbraw/zinc/17/98/36/186179836.db2.gz AGIIJXLGRTYIQE-BETUJISGSA-N 2 2 259.353 0.801 20 0 CCADLP CN(C(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000107574192 186179838 /nfs/dbraw/zinc/17/98/38/186179838.db2.gz AGIIJXLGRTYIQE-BETUJISGSA-N 2 2 259.353 0.801 20 0 CCADLP C[C@H](CN[C@H]1CC[N@@H+](C2CC2)C1)C[NH+]1CCOCC1 ZINC000153275950 350555382 /nfs/dbraw/zinc/55/53/82/350555382.db2.gz VAKFKRTZBPKNQS-KGLIPLIRSA-N 2 2 267.417 0.781 20 0 CCADLP C[C@H](CN[C@H]1CC[N@H+](C2CC2)C1)C[NH+]1CCOCC1 ZINC000153275950 350555387 /nfs/dbraw/zinc/55/53/87/350555387.db2.gz VAKFKRTZBPKNQS-KGLIPLIRSA-N 2 2 267.417 0.781 20 0 CCADLP C[N@H+](CC(=O)NCc1[nH]cc[nH+]1)[C@@H]1CCSC1 ZINC000155455742 350618891 /nfs/dbraw/zinc/61/88/91/350618891.db2.gz BCFVYZTYLWABKJ-SECBINFHSA-N 2 2 254.359 0.463 20 0 CCADLP C[N@@H+](CC(=O)NCc1[nH]cc[nH+]1)[C@@H]1CCSC1 ZINC000155455742 350618892 /nfs/dbraw/zinc/61/88/92/350618892.db2.gz BCFVYZTYLWABKJ-SECBINFHSA-N 2 2 254.359 0.463 20 0 CCADLP C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000573850533 334971715 /nfs/dbraw/zinc/97/17/15/334971715.db2.gz RWQJHWWXNLYHOT-IUODEOHRSA-N 2 2 294.399 0.264 20 0 CCADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOCCO ZINC000159178017 350671903 /nfs/dbraw/zinc/67/19/03/350671903.db2.gz KCFNIZDKIZMHAA-HOCLYGCPSA-N 2 2 293.411 0.891 20 0 CCADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOCCO ZINC000159178017 350671906 /nfs/dbraw/zinc/67/19/06/350671906.db2.gz KCFNIZDKIZMHAA-HOCLYGCPSA-N 2 2 293.411 0.891 20 0 CCADLP c1cn(CC[NH+]2CCN(c3ccc4nncn4n3)CC2)c[nH+]1 ZINC000163067758 350759514 /nfs/dbraw/zinc/75/95/14/350759514.db2.gz ATEFUEYHWIEEOL-UHFFFAOYSA-N 2 2 298.354 0.143 20 0 CCADLP CCOc1ccc(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000162261189 350739718 /nfs/dbraw/zinc/73/97/18/350739718.db2.gz RUKMKVRWADWQNC-AWEZNQCLSA-N 2 2 291.395 0.729 20 0 CCADLP CCOc1ccc(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000162261189 350739720 /nfs/dbraw/zinc/73/97/20/350739720.db2.gz RUKMKVRWADWQNC-AWEZNQCLSA-N 2 2 291.395 0.729 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H]([NH3+])C(C)(C)C)[NH+]1CCOCC1 ZINC000167690822 350813934 /nfs/dbraw/zinc/81/39/34/350813934.db2.gz AMETUBREMBWZFR-QJPTWQEYSA-N 2 2 271.405 0.585 20 0 CCADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C(=O)N1CCOCC1 ZINC000165029343 350786615 /nfs/dbraw/zinc/78/66/15/350786615.db2.gz NDUCWNYEZPNGMS-MCIONIFRSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)N1CCOCC1 ZINC000165029343 350786619 /nfs/dbraw/zinc/78/66/19/350786619.db2.gz NDUCWNYEZPNGMS-MCIONIFRSA-N 2 2 283.416 0.696 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000165683003 350792723 /nfs/dbraw/zinc/79/27/23/350792723.db2.gz CIWWKWLWDAOOQT-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP O=C(NCCCCNc1cccc[nH+]1)[C@H]1C[NH2+]CCO1 ZINC000167230065 350807888 /nfs/dbraw/zinc/80/78/88/350807888.db2.gz WHIBFDXNQWFHFP-GFCCVEGCSA-N 2 2 278.356 0.378 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000168651211 350830115 /nfs/dbraw/zinc/83/01/15/350830115.db2.gz MPFSVFYFQPSXHI-NEPJUHHUSA-N 2 2 296.415 0.814 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000168651211 350830118 /nfs/dbraw/zinc/83/01/18/350830118.db2.gz MPFSVFYFQPSXHI-NEPJUHHUSA-N 2 2 296.415 0.814 20 0 CCADLP C[NH+](C)CC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000170756616 350858030 /nfs/dbraw/zinc/85/80/30/350858030.db2.gz CNPZGSQYPZSVQA-UHFFFAOYSA-N 2 2 262.357 0.728 20 0 CCADLP COCC[N@H+](C)CCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000171138597 350889459 /nfs/dbraw/zinc/88/94/59/350889459.db2.gz IFWGBOISBREMED-UHFFFAOYSA-N 2 2 290.367 0.571 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000171138597 350889462 /nfs/dbraw/zinc/88/94/62/350889462.db2.gz IFWGBOISBREMED-UHFFFAOYSA-N 2 2 290.367 0.571 20 0 CCADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2ccno2)CC1 ZINC000540924887 290917213 /nfs/dbraw/zinc/91/72/13/290917213.db2.gz RBXQNHGINKIEHJ-UHFFFAOYSA-N 2 2 281.356 0.334 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000174630797 351096485 /nfs/dbraw/zinc/09/64/85/351096485.db2.gz CVZXVSXLVGNBIC-LBPRGKRZSA-N 2 2 278.356 0.094 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000174630797 351096490 /nfs/dbraw/zinc/09/64/90/351096490.db2.gz CVZXVSXLVGNBIC-LBPRGKRZSA-N 2 2 278.356 0.094 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000177035250 351192274 /nfs/dbraw/zinc/19/22/74/351192274.db2.gz QFAQQBHIHDTZCR-GJZGRUSLSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000177035250 351192275 /nfs/dbraw/zinc/19/22/75/351192275.db2.gz QFAQQBHIHDTZCR-GJZGRUSLSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000177035250 351192278 /nfs/dbraw/zinc/19/22/78/351192278.db2.gz QFAQQBHIHDTZCR-GJZGRUSLSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000177035250 351192280 /nfs/dbraw/zinc/19/22/80/351192280.db2.gz QFAQQBHIHDTZCR-GJZGRUSLSA-N 2 2 297.443 0.945 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114199011 186610851 /nfs/dbraw/zinc/61/08/51/186610851.db2.gz HGWQKXLYWNOHEJ-NWDGAFQWSA-N 2 2 284.404 0.493 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114199011 186610852 /nfs/dbraw/zinc/61/08/52/186610852.db2.gz HGWQKXLYWNOHEJ-NWDGAFQWSA-N 2 2 284.404 0.493 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC(C)(C)O)CC1 ZINC000179280273 351263337 /nfs/dbraw/zinc/26/33/37/351263337.db2.gz UNPHDMCBTIMMJY-UHFFFAOYSA-N 2 2 286.420 0.083 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C[C@@H]1[NH+]1CCOCC1 ZINC000178860769 351249799 /nfs/dbraw/zinc/24/97/99/351249799.db2.gz MEIMDWNRTSJART-KBXIAJHMSA-N 2 2 295.427 0.683 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+](Cc2cccnc2)C2CC2)CC1 ZINC000180275282 351283459 /nfs/dbraw/zinc/28/34/59/351283459.db2.gz IIRPWYOGUNZAPG-UHFFFAOYSA-N 2 2 288.395 0.820 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+](Cc2cccnc2)C2CC2)CC1 ZINC000180275282 351283461 /nfs/dbraw/zinc/28/34/61/351283461.db2.gz IIRPWYOGUNZAPG-UHFFFAOYSA-N 2 2 288.395 0.820 20 0 CCADLP CC(C)[C@@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181044417 351300871 /nfs/dbraw/zinc/30/08/71/351300871.db2.gz XRKWHELNPNLXLN-ZIAGYGMSSA-N 2 2 283.416 0.554 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000183590551 351384041 /nfs/dbraw/zinc/38/40/41/351384041.db2.gz SOSRAEGAKOUWOV-UHFFFAOYSA-N 2 2 259.313 0.843 20 0 CCADLP CO[C@@H](C)CCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000183723045 351389488 /nfs/dbraw/zinc/38/94/88/351389488.db2.gz CLPLYXBLDVTAIB-ZDUSSCGKSA-N 2 2 285.432 0.944 20 0 CCADLP COc1cc(N2CC[NH+](CCn3cc[nH+]c3)CC2)ncn1 ZINC000184092336 351401038 /nfs/dbraw/zinc/40/10/38/351401038.db2.gz AGOCFYCVFDZOHD-UHFFFAOYSA-N 2 2 288.355 0.504 20 0 CCADLP Cn1ncc(Cl)c1C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000189142634 351653974 /nfs/dbraw/zinc/65/39/74/351653974.db2.gz JTRODWGTGHQKOS-UHFFFAOYSA-N 2 2 299.806 0.327 20 0 CCADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000192099185 351783964 /nfs/dbraw/zinc/78/39/64/351783964.db2.gz RSUOBLBCWVJCBE-WDEREUQCSA-N 2 2 294.399 0.919 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000193215078 351816004 /nfs/dbraw/zinc/81/60/04/351816004.db2.gz KEWYMPLXWZXRQI-ZDUSSCGKSA-N 2 2 292.383 0.712 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000193215078 351816007 /nfs/dbraw/zinc/81/60/07/351816007.db2.gz KEWYMPLXWZXRQI-ZDUSSCGKSA-N 2 2 292.383 0.712 20 0 CCADLP COCC[N@H+](C)CCCNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000195186855 351902420 /nfs/dbraw/zinc/90/24/20/351902420.db2.gz IHGLLXVSLXPWQR-UHFFFAOYSA-N 2 2 293.375 0.326 20 0 CCADLP COCC[N@@H+](C)CCCNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000195186855 351902422 /nfs/dbraw/zinc/90/24/22/351902422.db2.gz IHGLLXVSLXPWQR-UHFFFAOYSA-N 2 2 293.375 0.326 20 0 CCADLP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CC(N)=O)C1 ZINC000195259197 351906334 /nfs/dbraw/zinc/90/63/34/351906334.db2.gz HICKKQHJBCQNBK-NSHDSACASA-N 2 2 282.413 0.691 20 0 CCADLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CC(N)=O)C1 ZINC000195259197 351906338 /nfs/dbraw/zinc/90/63/38/351906338.db2.gz HICKKQHJBCQNBK-NSHDSACASA-N 2 2 282.413 0.691 20 0 CCADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC000195259197 351906339 /nfs/dbraw/zinc/90/63/39/351906339.db2.gz HICKKQHJBCQNBK-NSHDSACASA-N 2 2 282.413 0.691 20 0 CCADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC000195259197 351906342 /nfs/dbraw/zinc/90/63/42/351906342.db2.gz HICKKQHJBCQNBK-NSHDSACASA-N 2 2 282.413 0.691 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)[nH]1 ZINC000222212851 351981743 /nfs/dbraw/zinc/98/17/43/351981743.db2.gz WKZHSZVIYYPLJJ-LBPRGKRZSA-N 2 2 280.372 0.137 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)[nH]1 ZINC000222212851 351981744 /nfs/dbraw/zinc/98/17/44/351981744.db2.gz WKZHSZVIYYPLJJ-LBPRGKRZSA-N 2 2 280.372 0.137 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)on1 ZINC000228077500 352066198 /nfs/dbraw/zinc/06/61/98/352066198.db2.gz BLLHXBFQPFHWON-NXEZZACHSA-N 2 2 252.318 0.591 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)on1 ZINC000228077500 352066203 /nfs/dbraw/zinc/06/62/03/352066203.db2.gz BLLHXBFQPFHWON-NXEZZACHSA-N 2 2 252.318 0.591 20 0 CCADLP COC(=O)c1ccc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])o1 ZINC000226626729 352031249 /nfs/dbraw/zinc/03/12/49/352031249.db2.gz UICOSVPKBWAIBV-JTQLQIEISA-N 2 2 267.329 0.141 20 0 CCADLP COC(=O)c1ccc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])o1 ZINC000226626729 352031251 /nfs/dbraw/zinc/03/12/51/352031251.db2.gz UICOSVPKBWAIBV-JTQLQIEISA-N 2 2 267.329 0.141 20 0 CCADLP CN(C(=O)CCn1cc[nH+]c1)[C@@H]1CCC[NH2+]CC1 ZINC000231474921 352128620 /nfs/dbraw/zinc/12/86/20/352128620.db2.gz PQZMEQZSLDONRO-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231671160 352131440 /nfs/dbraw/zinc/13/14/40/352131440.db2.gz HXFPYEUDXMKQKV-LBPRGKRZSA-N 2 2 284.404 0.686 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231671160 352131442 /nfs/dbraw/zinc/13/14/42/352131442.db2.gz HXFPYEUDXMKQKV-LBPRGKRZSA-N 2 2 284.404 0.686 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCOCC[NH+](C)C)C[N@@H+]1C1CC1 ZINC000231675767 352131770 /nfs/dbraw/zinc/13/17/70/352131770.db2.gz GSSRGTHVANUDQD-CHWSQXEVSA-N 3 2 255.406 0.779 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCOCC[NH+](C)C)C[N@H+]1C1CC1 ZINC000231675767 352131772 /nfs/dbraw/zinc/13/17/72/352131772.db2.gz GSSRGTHVANUDQD-CHWSQXEVSA-N 3 2 255.406 0.779 20 0 CCADLP Cc1c(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cnn1C ZINC000229805752 352096799 /nfs/dbraw/zinc/09/67/99/352096799.db2.gz GUUQGPMWKDADCC-ZDUSSCGKSA-N 2 2 252.362 0.275 20 0 CCADLP Nc1cc[nH+]cc1C(=O)NCC[NH+]1CCSCC1 ZINC000232228564 352142845 /nfs/dbraw/zinc/14/28/45/352142845.db2.gz CQZFLRSCHLLYKF-UHFFFAOYSA-N 2 2 266.370 0.442 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@@H](C)[NH2+]1 ZINC000655415638 412562586 /nfs/dbraw/zinc/56/25/86/412562586.db2.gz ONWXHSJHDQRGGX-IJLUTSLNSA-N 2 2 262.357 0.654 20 0 CCADLP O=C(NC[C@H]1CCC[NH2+]C1)[C@H]1CCc2[nH+]ccn2C1 ZINC000655413540 412562756 /nfs/dbraw/zinc/56/27/56/412562756.db2.gz CMIQHGAREKVINN-RYUDHWBXSA-N 2 2 262.357 0.561 20 0 CCADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)CC[NH+]1CCOCC1 ZINC000236939088 352229819 /nfs/dbraw/zinc/22/98/19/352229819.db2.gz NWENTEDPHGNQHP-VXGBXAGGSA-N 2 2 257.378 0.150 20 0 CCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C2([NH3+])CC2)CC1 ZINC000237414007 352263477 /nfs/dbraw/zinc/26/34/77/352263477.db2.gz VHXWTOYNCJNFFC-GFCCVEGCSA-N 2 2 274.368 0.778 20 0 CCADLP CNC(=O)c1cccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000603708410 363155061 /nfs/dbraw/zinc/15/50/61/363155061.db2.gz OBJXCOVZNJMUDO-ZIAGYGMSSA-N 2 2 259.353 0.697 20 0 CCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C2([NH3+])CC2)CC1 ZINC000237485961 352267825 /nfs/dbraw/zinc/26/78/25/352267825.db2.gz VHXWTOYNCJNFFC-LBPRGKRZSA-N 2 2 274.368 0.778 20 0 CCADLP [NH3+]C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)nc1)C1CC1 ZINC000237922713 352289144 /nfs/dbraw/zinc/28/91/44/352289144.db2.gz ZGGFXGWOJFBVBL-LBPRGKRZSA-N 2 2 271.324 0.734 20 0 CCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000655417619 412564123 /nfs/dbraw/zinc/56/41/23/412564123.db2.gz MZRUJHCSANVVFO-UPJWGTAASA-N 2 2 274.368 0.798 20 0 CCADLP C[NH+](C)C1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000542761846 290957379 /nfs/dbraw/zinc/95/73/79/290957379.db2.gz GGSXLUFPMHTNCI-UHFFFAOYSA-N 2 2 262.357 0.534 20 0 CCADLP CCOC[C@@H]1CC[N@@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000246146795 352350356 /nfs/dbraw/zinc/35/03/56/352350356.db2.gz GXOHLUGJGHMGGG-HUUCEWRRSA-N 2 2 297.443 0.897 20 0 CCADLP CCOC[C@@H]1CC[N@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000246146795 352350357 /nfs/dbraw/zinc/35/03/57/352350357.db2.gz GXOHLUGJGHMGGG-HUUCEWRRSA-N 2 2 297.443 0.897 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248185194 352434081 /nfs/dbraw/zinc/43/40/81/352434081.db2.gz XFDOIOXTCPBCQH-ILXRZTDVSA-N 3 2 268.449 0.695 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248185194 352434082 /nfs/dbraw/zinc/43/40/82/352434082.db2.gz XFDOIOXTCPBCQH-ILXRZTDVSA-N 3 2 268.449 0.695 20 0 CCADLP CN1CC[N@H+](C)[C@H](CNC(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000250373386 352505248 /nfs/dbraw/zinc/50/52/48/352505248.db2.gz JMYSSYPGINVWCC-HUUCEWRRSA-N 2 2 290.411 0.439 20 0 CCADLP CN1CC[N@@H+](C)[C@H](CNC(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000250373386 352505249 /nfs/dbraw/zinc/50/52/49/352505249.db2.gz JMYSSYPGINVWCC-HUUCEWRRSA-N 2 2 290.411 0.439 20 0 CCADLP CN1CC[N@H+](C)[C@H](CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000250403221 352505401 /nfs/dbraw/zinc/50/54/01/352505401.db2.gz TZTFQIDRCZJAGQ-BFHYXJOUSA-N 2 2 282.432 0.256 20 0 CCADLP CN1CC[N@@H+](C)[C@H](CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000250403221 352505405 /nfs/dbraw/zinc/50/54/05/352505405.db2.gz TZTFQIDRCZJAGQ-BFHYXJOUSA-N 2 2 282.432 0.256 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)C[C@@H](C)O1 ZINC000252124707 352513375 /nfs/dbraw/zinc/51/33/75/352513375.db2.gz LGIABZPNFQWKLX-LOWDOPEQSA-N 2 2 269.389 0.434 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)C[C@@H](C)O1 ZINC000252124707 352513379 /nfs/dbraw/zinc/51/33/79/352513379.db2.gz LGIABZPNFQWKLX-LOWDOPEQSA-N 2 2 269.389 0.434 20 0 CCADLP C[NH2+]CCC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000262541576 352587530 /nfs/dbraw/zinc/58/75/30/352587530.db2.gz NHXSAKYIFBVJRH-OAHLLOKOSA-N 2 2 291.395 0.786 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000134489763 187753954 /nfs/dbraw/zinc/75/39/54/187753954.db2.gz KPOMQISPIVNQHG-QWHCGFSZSA-N 2 2 269.389 0.213 20 0 CCADLP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261584748 352561764 /nfs/dbraw/zinc/56/17/64/352561764.db2.gz SOSWRKUSHODUQZ-WUHRBBMRSA-N 2 2 253.390 0.831 20 0 CCADLP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261584748 352561767 /nfs/dbraw/zinc/56/17/67/352561767.db2.gz SOSWRKUSHODUQZ-WUHRBBMRSA-N 2 2 253.390 0.831 20 0 CCADLP Cn1c[nH+]cc1CN1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000261948463 352566573 /nfs/dbraw/zinc/56/65/73/352566573.db2.gz FRHGKNZPIBURRR-CQSZACIVSA-N 2 2 257.341 0.962 20 0 CCADLP CC[C@H](C)NC(=O)CN1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262083943 352577071 /nfs/dbraw/zinc/57/70/71/352577071.db2.gz UBBYFARQPOTYBR-HOCLYGCPSA-N 2 2 296.459 0.518 20 0 CCADLP CC[C@H](C)NC(=O)C[NH+]1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262083943 352577073 /nfs/dbraw/zinc/57/70/73/352577073.db2.gz UBBYFARQPOTYBR-HOCLYGCPSA-N 2 2 296.459 0.518 20 0 CCADLP CCC[C@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000262144964 352583476 /nfs/dbraw/zinc/58/34/76/352583476.db2.gz PWVDAAKVMWRWBS-NEPJUHHUSA-N 2 2 285.388 0.210 20 0 CCADLP C[NH2+]CCC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000262312984 352585727 /nfs/dbraw/zinc/58/57/27/352585727.db2.gz DCCNLMMGKRPTNX-GFCCVEGCSA-N 2 2 292.383 0.532 20 0 CCADLP [NH3+]C1(CNC(=O)N2CC[NH+](Cc3ccco3)CC2)CCC1 ZINC000418518892 234150045 /nfs/dbraw/zinc/15/00/45/234150045.db2.gz MMUMTGOXTYSESJ-UHFFFAOYSA-N 2 2 292.383 0.988 20 0 CCADLP C[C@H](CC[NH3+])NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000418531080 234156760 /nfs/dbraw/zinc/15/67/60/234156760.db2.gz RJRODUKLPUWUFF-CYBMUJFWSA-N 2 2 291.399 0.646 20 0 CCADLP Cc1nn(C)cc1[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000268923218 352829012 /nfs/dbraw/zinc/82/90/12/352829012.db2.gz PGEPDKCABDXTDT-BXUZGUMPSA-N 2 2 293.415 0.719 20 0 CCADLP Cc1nn(C)cc1[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000268923218 352829016 /nfs/dbraw/zinc/82/90/16/352829016.db2.gz PGEPDKCABDXTDT-BXUZGUMPSA-N 2 2 293.415 0.719 20 0 CCADLP CC[N@H+](CC(=O)NCc1c[nH+]c(N(C)C)n1C)C1CC1 ZINC000269718829 352867554 /nfs/dbraw/zinc/86/75/54/352867554.db2.gz WWNRIAQRHAEYLD-UHFFFAOYSA-N 2 2 279.388 0.587 20 0 CCADLP CC[N@@H+](CC(=O)NCc1c[nH+]c(N(C)C)n1C)C1CC1 ZINC000269718829 352867557 /nfs/dbraw/zinc/86/75/57/352867557.db2.gz WWNRIAQRHAEYLD-UHFFFAOYSA-N 2 2 279.388 0.587 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]Cc1ccc2c(c1)ncn2C ZINC000274376659 353123815 /nfs/dbraw/zinc/12/38/15/353123815.db2.gz HURKVWAKBLWPTF-UHFFFAOYSA-N 2 2 276.384 0.977 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]Cc1ccc2c(c1)ncn2C ZINC000274376659 353123817 /nfs/dbraw/zinc/12/38/17/353123817.db2.gz HURKVWAKBLWPTF-UHFFFAOYSA-N 2 2 276.384 0.977 20 0 CCADLP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1cc(NC2CC2)[nH+]cn1 ZINC000419009005 234285682 /nfs/dbraw/zinc/28/56/82/234285682.db2.gz WOTGPDIEJBLMLU-NWDGAFQWSA-N 2 2 291.399 0.942 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1c1cc(NC2CC2)[nH+]cn1 ZINC000419009005 234285684 /nfs/dbraw/zinc/28/56/84/234285684.db2.gz WOTGPDIEJBLMLU-NWDGAFQWSA-N 2 2 291.399 0.942 20 0 CCADLP Cc1nc(N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)cc[nH+]1 ZINC000276108764 353207046 /nfs/dbraw/zinc/20/70/46/353207046.db2.gz LLXIAZTWGVHPGH-QWRGUYRKSA-N 2 2 250.346 0.676 20 0 CCADLP Cc1nc(N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cc[nH+]1 ZINC000276108764 353207049 /nfs/dbraw/zinc/20/70/49/353207049.db2.gz LLXIAZTWGVHPGH-QWRGUYRKSA-N 2 2 250.346 0.676 20 0 CCADLP CCOCC[C@H](O)C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000278616150 353302911 /nfs/dbraw/zinc/30/29/11/353302911.db2.gz FRFOYTSMURFALD-AWEZNQCLSA-N 2 2 294.399 0.695 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655458383 412580458 /nfs/dbraw/zinc/58/04/58/412580458.db2.gz OXNPIAKYIXQLGP-SRVKXCTJSA-N 2 2 262.357 0.702 20 0 CCADLP CC[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@@H+]1C[C@H](C)O ZINC000283625828 353519625 /nfs/dbraw/zinc/51/96/25/353519625.db2.gz BBDLOFPAQFBNRY-VSYHDTTKSA-N 2 2 292.383 0.727 20 0 CCADLP CC[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@H+]1C[C@H](C)O ZINC000283625828 353519627 /nfs/dbraw/zinc/51/96/27/353519627.db2.gz BBDLOFPAQFBNRY-VSYHDTTKSA-N 2 2 292.383 0.727 20 0 CCADLP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655460180 412580309 /nfs/dbraw/zinc/58/03/09/412580309.db2.gz IMRQBILYHXQGDS-WOPDTQHZSA-N 2 2 280.347 0.604 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000284145107 353552129 /nfs/dbraw/zinc/55/21/29/353552129.db2.gz WEYXJWVGWHSUAA-AAOUONPWSA-N 2 2 278.356 0.602 20 0 CCADLP COCC[N@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000284145107 353552132 /nfs/dbraw/zinc/55/21/32/353552132.db2.gz WEYXJWVGWHSUAA-AAOUONPWSA-N 2 2 278.356 0.602 20 0 CCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000655463966 412581707 /nfs/dbraw/zinc/58/17/07/412581707.db2.gz BQJFVBOXKZZNCF-MJBXVCDLSA-N 2 2 288.395 0.904 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CC[NH2+][C@H]1C(C)C ZINC000290019707 353701396 /nfs/dbraw/zinc/70/13/96/353701396.db2.gz FGMDIYMJYJEMSY-PWSUYJOCSA-N 2 2 250.346 0.968 20 0 CCADLP O=C(Cc1cn2ccccc2[nH+]1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000290043591 353703288 /nfs/dbraw/zinc/70/32/88/353703288.db2.gz GSSJKWRGTDDKHN-QWHCGFSZSA-N 2 2 284.363 0.945 20 0 CCADLP Cc1nsc(N2CC[NH+](CCc3c[nH+]cn3C)CC2)n1 ZINC000290072722 353705868 /nfs/dbraw/zinc/70/58/68/353705868.db2.gz QBKCHUCANQDMAK-UHFFFAOYSA-N 2 2 292.412 0.945 20 0 CCADLP CO[C@H]1COC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000290102611 353708047 /nfs/dbraw/zinc/70/80/47/353708047.db2.gz IUPRDNLAXRDOLS-STQMWFEESA-N 2 2 274.324 0.771 20 0 CCADLP C[NH+]1CCC([N@H+](CCO)Cc2c[nH]c3nccnc23)CC1 ZINC000290328601 353721479 /nfs/dbraw/zinc/72/14/79/353721479.db2.gz CIVAFOHQNFZAEF-UHFFFAOYSA-N 2 2 289.383 0.846 20 0 CCADLP C[NH+]1CCC([N@@H+](CCO)Cc2c[nH]c3nccnc23)CC1 ZINC000290328601 353721482 /nfs/dbraw/zinc/72/14/82/353721482.db2.gz CIVAFOHQNFZAEF-UHFFFAOYSA-N 2 2 289.383 0.846 20 0 CCADLP OCC[NH2+]C1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000290925442 353758932 /nfs/dbraw/zinc/75/89/32/353758932.db2.gz IXOKBLJQYAALFM-UHFFFAOYSA-N 2 2 291.399 0.628 20 0 CCADLP OCC[NH2+]C1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1 ZINC000290925442 353758935 /nfs/dbraw/zinc/75/89/35/353758935.db2.gz IXOKBLJQYAALFM-UHFFFAOYSA-N 2 2 291.399 0.628 20 0 CCADLP C[C@H](O)CNc1cc(N2CCC[C@H]([NH+](C)C)C2)nc[nH+]1 ZINC000294345788 353888822 /nfs/dbraw/zinc/88/88/22/353888822.db2.gz JZXVEBLQWAHGKF-RYUDHWBXSA-N 2 2 279.388 0.800 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000295808245 353919713 /nfs/dbraw/zinc/91/97/13/353919713.db2.gz TXDCUBBGYKJFFO-NSHDSACASA-N 2 2 250.346 0.872 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[C@@]3(CC[N@H+](C)C3)C2)nc[nH+]1 ZINC000299081991 353989306 /nfs/dbraw/zinc/98/93/06/353989306.db2.gz VVILDNILBQQNHS-SWLSCSKDSA-N 2 2 291.399 0.801 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)nc[nH+]1 ZINC000299081991 353989309 /nfs/dbraw/zinc/98/93/09/353989309.db2.gz VVILDNILBQQNHS-SWLSCSKDSA-N 2 2 291.399 0.801 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[C@@]3(CC[N@H+](C)C3)C2)[nH+]cn1 ZINC000299081991 353989313 /nfs/dbraw/zinc/98/93/13/353989313.db2.gz VVILDNILBQQNHS-SWLSCSKDSA-N 2 2 291.399 0.801 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)[nH+]cn1 ZINC000299081991 353989314 /nfs/dbraw/zinc/98/93/14/353989314.db2.gz VVILDNILBQQNHS-SWLSCSKDSA-N 2 2 291.399 0.801 20 0 CCADLP CC[NH+](C/C=C/C[N@@H+](CC)CC(=O)OC)CC(=O)OC ZINC000299321489 354008962 /nfs/dbraw/zinc/00/89/62/354008962.db2.gz IHIDAZVWIOMOLR-BQYQJAHWSA-N 2 2 286.372 0.532 20 0 CCADLP CC[NH+](C/C=C/C[N@H+](CC)CC(=O)OC)CC(=O)OC ZINC000299321489 354008964 /nfs/dbraw/zinc/00/89/64/354008964.db2.gz IHIDAZVWIOMOLR-BQYQJAHWSA-N 2 2 286.372 0.532 20 0 CCADLP C[N@@H+]1CCC[C@H]1C[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000301643796 354079586 /nfs/dbraw/zinc/07/95/86/354079586.db2.gz OXXXACBSHDBDDR-LBPRGKRZSA-N 2 2 275.418 0.094 20 0 CCADLP C[N@H+]1CCC[C@H]1C[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000301643796 354079588 /nfs/dbraw/zinc/07/95/88/354079588.db2.gz OXXXACBSHDBDDR-LBPRGKRZSA-N 2 2 275.418 0.094 20 0 CCADLP CC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000304019446 354102586 /nfs/dbraw/zinc/10/25/86/354102586.db2.gz DAFHBEQXPQSZSZ-KBPBESRZSA-N 2 2 256.390 0.802 20 0 CCADLP CC[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000304019446 354102590 /nfs/dbraw/zinc/10/25/90/354102590.db2.gz DAFHBEQXPQSZSZ-KBPBESRZSA-N 2 2 256.390 0.802 20 0 CCADLP CC[C@H](O)C[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000304018328 354103048 /nfs/dbraw/zinc/10/30/48/354103048.db2.gz XIDGNUJJKBAAJQ-OCCSQVGLSA-N 2 2 256.390 0.942 20 0 CCADLP CC[C@H](O)C[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000304018328 354103052 /nfs/dbraw/zinc/10/30/52/354103052.db2.gz XIDGNUJJKBAAJQ-OCCSQVGLSA-N 2 2 256.390 0.942 20 0 CCADLP CCCc1[nH+]ccn1C[C@@H](O)C[NH+]1CCOCC1 ZINC000305292310 354142857 /nfs/dbraw/zinc/14/28/57/354142857.db2.gz GOHLVALNXCQVLW-LBPRGKRZSA-N 2 2 253.346 0.529 20 0 CCADLP CCc1[nH+]ccn1C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000305307213 354144465 /nfs/dbraw/zinc/14/44/65/354144465.db2.gz KWFXCIIPYAUIRG-FRRDWIJNSA-N 2 2 267.373 0.916 20 0 CCADLP CCc1[nH+]ccn1C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000305307213 354144470 /nfs/dbraw/zinc/14/44/70/354144470.db2.gz KWFXCIIPYAUIRG-FRRDWIJNSA-N 2 2 267.373 0.916 20 0 CCADLP CC(C)COC[C@H](O)C[NH2+]CCc1cn(C)c[nH+]1 ZINC000313250560 354213197 /nfs/dbraw/zinc/21/31/97/354213197.db2.gz HKAVWVXBWPCTEO-CYBMUJFWSA-N 2 2 255.362 0.586 20 0 CCADLP C[C@@H](O)C[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000607754928 363365370 /nfs/dbraw/zinc/36/53/70/363365370.db2.gz RGYOPEWIFOTCFL-UKRRQHHQSA-N 2 2 266.385 0.792 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000607754928 363365373 /nfs/dbraw/zinc/36/53/73/363365373.db2.gz RGYOPEWIFOTCFL-UKRRQHHQSA-N 2 2 266.385 0.792 20 0 CCADLP C[C@@H](O)C[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000607754928 363365377 /nfs/dbraw/zinc/36/53/77/363365377.db2.gz RGYOPEWIFOTCFL-UKRRQHHQSA-N 2 2 266.385 0.792 20 0 CCADLP C[C@@H](O)C[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000607754928 363365382 /nfs/dbraw/zinc/36/53/82/363365382.db2.gz RGYOPEWIFOTCFL-UKRRQHHQSA-N 2 2 266.385 0.792 20 0 CCADLP Cn1cc[nH+]c1CN1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000330412328 354348346 /nfs/dbraw/zinc/34/83/46/354348346.db2.gz SHJXJKUASGTIPI-LLVKDONJSA-N 2 2 281.360 0.088 20 0 CCADLP Cn1cc[nH+]c1CN1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000330412328 354348349 /nfs/dbraw/zinc/34/83/49/354348349.db2.gz SHJXJKUASGTIPI-LLVKDONJSA-N 2 2 281.360 0.088 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CSC[NH2+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488104 412590277 /nfs/dbraw/zinc/59/02/77/412590277.db2.gz UEPWRMGUNNHRQK-WYUUTHIRSA-N 2 2 287.429 0.263 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CSC[NH2+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488104 412590283 /nfs/dbraw/zinc/59/02/83/412590283.db2.gz UEPWRMGUNNHRQK-WYUUTHIRSA-N 2 2 287.429 0.263 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+](C[C@@](C)(O)C(C)=O)CC2)c1 ZINC000330822456 354427609 /nfs/dbraw/zinc/42/76/09/354427609.db2.gz DXQJZEWWYKRFBG-OAHLLOKOSA-N 2 2 293.367 0.552 20 0 CCADLP COC(=O)[C@@](C)(O)C[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000330860063 354428679 /nfs/dbraw/zinc/42/86/79/354428679.db2.gz VQXOMDCGPQSKTM-HNNXBMFYSA-N 2 2 293.367 0.436 20 0 CCADLP CCOC[C@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000331191726 354485313 /nfs/dbraw/zinc/48/53/13/354485313.db2.gz REMBAMOPQJFVAE-CYBMUJFWSA-N 2 2 253.346 0.917 20 0 CCADLP COC(=O)[C@](C)(O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000331202644 354489470 /nfs/dbraw/zinc/48/94/70/354489470.db2.gz WGCWCYQFICLPSV-SGMGOOAPSA-N 2 2 281.356 0.690 20 0 CCADLP COC(=O)[C@](C)(O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000331202644 354489471 /nfs/dbraw/zinc/48/94/71/354489471.db2.gz WGCWCYQFICLPSV-SGMGOOAPSA-N 2 2 281.356 0.690 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCC[NH2+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488909 412593674 /nfs/dbraw/zinc/59/36/74/412593674.db2.gz IOGUCATXDLAXGN-RVMXOQNASA-N 2 2 269.389 0.352 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCC[NH2+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488909 412593678 /nfs/dbraw/zinc/59/36/78/412593678.db2.gz IOGUCATXDLAXGN-RVMXOQNASA-N 2 2 269.389 0.352 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)N(C)CCCn2cc[nH+]c2)[N@H+](C)C1 ZINC000332287871 354640553 /nfs/dbraw/zinc/64/05/53/354640553.db2.gz HBIDDANFQMKKBJ-STQMWFEESA-N 2 2 280.372 0.451 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)N(C)CCCn2cc[nH+]c2)[N@@H+](C)C1 ZINC000332287871 354640555 /nfs/dbraw/zinc/64/05/55/354640555.db2.gz HBIDDANFQMKKBJ-STQMWFEESA-N 2 2 280.372 0.451 20 0 CCADLP C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)[C@H]1CCC[NH2+]1 ZINC000422954420 234905152 /nfs/dbraw/zinc/90/51/52/234905152.db2.gz HMVDKKGXCZLSOL-IVZWLZJFSA-N 2 2 279.306 0.880 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000531940611 358489109 /nfs/dbraw/zinc/48/91/09/358489109.db2.gz ZJUOXAXLDMPHIS-HUUCEWRRSA-N 3 2 268.449 0.554 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000531940611 358489111 /nfs/dbraw/zinc/48/91/11/358489111.db2.gz ZJUOXAXLDMPHIS-HUUCEWRRSA-N 3 2 268.449 0.554 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333677177 354775199 /nfs/dbraw/zinc/77/51/99/354775199.db2.gz OEXOMSLQCHHOMW-FMKPAKJESA-N 2 2 295.427 0.746 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333677177 354775204 /nfs/dbraw/zinc/77/52/04/354775204.db2.gz OEXOMSLQCHHOMW-FMKPAKJESA-N 2 2 295.427 0.746 20 0 CCADLP O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)NC[C@@H]1CCCO1 ZINC000333819953 354800203 /nfs/dbraw/zinc/80/02/03/354800203.db2.gz HIRFYBUGJKFRPX-SOUVJXGZSA-N 2 2 295.427 0.746 20 0 CCADLP O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)NC[C@@H]1CCCO1 ZINC000333819953 354800207 /nfs/dbraw/zinc/80/02/07/354800207.db2.gz HIRFYBUGJKFRPX-SOUVJXGZSA-N 2 2 295.427 0.746 20 0 CCADLP C[C@H](NC(=O)[C@H](C)[N@H+](C)C[C@@H](O)C[NH3+])c1ccc(F)cc1 ZINC000420348552 299222415 /nfs/dbraw/zinc/22/24/15/299222415.db2.gz ADTZECIHDCXGCZ-MJVIPROJSA-N 2 2 297.374 0.643 20 0 CCADLP C[C@H](NC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])c1ccc(F)cc1 ZINC000420348552 299222418 /nfs/dbraw/zinc/22/24/18/299222418.db2.gz ADTZECIHDCXGCZ-MJVIPROJSA-N 2 2 297.374 0.643 20 0 CCADLP O=C(N1CC[NH+](C2CC2)CC1)C12CCC[NH+]1CCC2 ZINC000334406724 354860051 /nfs/dbraw/zinc/86/00/51/354860051.db2.gz KHSYQCZJEIWWTE-UHFFFAOYSA-N 2 2 263.385 0.921 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000608150554 363411063 /nfs/dbraw/zinc/41/10/63/363411063.db2.gz WQCLQWHSLWXHLB-UONOGXRCSA-N 2 2 281.400 0.261 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000608150554 363411065 /nfs/dbraw/zinc/41/10/65/363411065.db2.gz WQCLQWHSLWXHLB-UONOGXRCSA-N 2 2 281.400 0.261 20 0 CCADLP Cc1nc(N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000532021747 358491612 /nfs/dbraw/zinc/49/16/12/358491612.db2.gz RWDWRWQUPHPZDD-CABZTGNLSA-N 2 2 276.388 0.563 20 0 CCADLP Cc1nc(N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000532021747 358491616 /nfs/dbraw/zinc/49/16/16/358491616.db2.gz RWDWRWQUPHPZDD-CABZTGNLSA-N 2 2 276.388 0.563 20 0 CCADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(-n2cncn2)cc1 ZINC000423532012 235000485 /nfs/dbraw/zinc/00/04/85/235000485.db2.gz YYYYDBICYCZVKV-DOMZBBRYSA-N 2 2 287.367 0.906 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000655497826 412599128 /nfs/dbraw/zinc/59/91/28/412599128.db2.gz ITVCWRPSXCJNSG-IHRRRGAJSA-N 2 2 277.368 0.040 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000423586872 235012036 /nfs/dbraw/zinc/01/20/36/235012036.db2.gz DFIBDYDOOCVGEZ-VHDGCEQUSA-N 2 2 295.427 0.602 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000423586872 235012040 /nfs/dbraw/zinc/01/20/40/235012040.db2.gz DFIBDYDOOCVGEZ-VHDGCEQUSA-N 2 2 295.427 0.602 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000423596420 235013941 /nfs/dbraw/zinc/01/39/41/235013941.db2.gz RPHIYLNOYPGMPN-SNPRPXQTSA-N 2 2 295.427 0.744 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000423596420 235013944 /nfs/dbraw/zinc/01/39/44/235013944.db2.gz RPHIYLNOYPGMPN-SNPRPXQTSA-N 2 2 295.427 0.744 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000423609861 235019135 /nfs/dbraw/zinc/01/91/35/235019135.db2.gz MPNBHUHPEDWQPO-NWANDNLSSA-N 2 2 295.427 0.744 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000423609861 235019139 /nfs/dbraw/zinc/01/91/39/235019139.db2.gz MPNBHUHPEDWQPO-NWANDNLSSA-N 2 2 295.427 0.744 20 0 CCADLP O=C(NCc1cn2ccccc2[nH+]1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000335203046 354985197 /nfs/dbraw/zinc/98/51/97/354985197.db2.gz KBXUCBBBQXLKDW-WFASDCNBSA-N 2 2 270.336 0.950 20 0 CCADLP Cc1nc(N2CCN(C(=O)CC3(C[NH3+])CC3)CC2)cc[nH+]1 ZINC000423775752 235074713 /nfs/dbraw/zinc/07/47/13/235074713.db2.gz CXXGHAHMGLATBX-UHFFFAOYSA-N 2 2 289.383 0.563 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000423754504 235058373 /nfs/dbraw/zinc/05/83/73/235058373.db2.gz YRYBJWMRCAFIFR-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H]3CCC[C@@H]32)CC1 ZINC000335833312 355023988 /nfs/dbraw/zinc/02/39/88/355023988.db2.gz UWSKXXLZADNIQV-OLZOCXBDSA-N 2 2 251.374 0.635 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H]3CCC[C@@H]32)CC1 ZINC000335833312 355023990 /nfs/dbraw/zinc/02/39/90/355023990.db2.gz UWSKXXLZADNIQV-OLZOCXBDSA-N 2 2 251.374 0.635 20 0 CCADLP CCNC(=O)N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000335855680 355029226 /nfs/dbraw/zinc/02/92/26/355029226.db2.gz RMUVGVRXORXNGU-GFCCVEGCSA-N 2 2 254.378 0.333 20 0 CCADLP C[C@@H]1CC[C@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000336514561 355117456 /nfs/dbraw/zinc/11/74/56/355117456.db2.gz CNKFXAFKNOGXLD-OLZOCXBDSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424138057 235158216 /nfs/dbraw/zinc/15/82/16/235158216.db2.gz BREMZVACXXOYAW-YUTCNCBUSA-N 2 2 274.368 0.634 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000336700174 355139633 /nfs/dbraw/zinc/13/96/33/355139633.db2.gz FNNCIMRSAVQDQQ-LBPRGKRZSA-N 2 2 250.346 0.721 20 0 CCADLP C[C@H](O)CC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000336706734 355143332 /nfs/dbraw/zinc/14/33/32/355143332.db2.gz WYBZLQCPZSRCAI-KBPBESRZSA-N 2 2 256.390 0.802 20 0 CCADLP C[C@H](O)CC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000336706734 355143333 /nfs/dbraw/zinc/14/33/33/355143333.db2.gz WYBZLQCPZSRCAI-KBPBESRZSA-N 2 2 256.390 0.802 20 0 CCADLP C[C@@H]([NH3+])C[N@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000336706272 355143877 /nfs/dbraw/zinc/14/38/77/355143877.db2.gz IIVBVUIFDNLJRS-TZMCWYRMSA-N 2 2 252.358 0.843 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000336706272 355143879 /nfs/dbraw/zinc/14/38/79/355143879.db2.gz IIVBVUIFDNLJRS-TZMCWYRMSA-N 2 2 252.358 0.843 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CCn3cc[nH+]c3C)C2)CC1 ZINC000336835563 355208217 /nfs/dbraw/zinc/20/82/17/355208217.db2.gz JOWOFJFRUOZJAH-MRXNPFEDSA-N 3 2 291.443 0.903 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCn3cc[nH+]c3C)C2)CC1 ZINC000336835563 355208220 /nfs/dbraw/zinc/20/82/20/355208220.db2.gz JOWOFJFRUOZJAH-MRXNPFEDSA-N 3 2 291.443 0.903 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000336799125 355171855 /nfs/dbraw/zinc/17/18/55/355171855.db2.gz HLTRPVZCWPALIK-UHFFFAOYSA-N 2 2 262.357 0.888 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000336799125 355171857 /nfs/dbraw/zinc/17/18/57/355171857.db2.gz HLTRPVZCWPALIK-UHFFFAOYSA-N 2 2 262.357 0.888 20 0 CCADLP CNS(=O)(=O)CCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000336799309 355172881 /nfs/dbraw/zinc/17/28/81/355172881.db2.gz IEOFRATUJQWUSD-UHFFFAOYSA-N 2 2 286.401 0.528 20 0 CCADLP O=C(CC1CC[NH2+]CC1)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424180600 235170698 /nfs/dbraw/zinc/17/06/98/235170698.db2.gz VZMZQGLEKKLNKB-LLVKDONJSA-N 2 2 275.343 0.737 20 0 CCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000424179993 235171580 /nfs/dbraw/zinc/17/15/80/235171580.db2.gz MTRGBVHCCGDNJO-QWHCGFSZSA-N 2 2 292.383 0.190 20 0 CCADLP Cc1c(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cnn1C ZINC000336819963 355192544 /nfs/dbraw/zinc/19/25/44/355192544.db2.gz BHSVDFXJNDVHIC-CQSZACIVSA-N 2 2 278.400 0.883 20 0 CCADLP Cc1c(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cnn1C ZINC000336819963 355192551 /nfs/dbraw/zinc/19/25/51/355192551.db2.gz BHSVDFXJNDVHIC-CQSZACIVSA-N 2 2 278.400 0.883 20 0 CCADLP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000338309390 355317196 /nfs/dbraw/zinc/31/71/96/355317196.db2.gz URCXPJNKBWZHJQ-CABCVRRESA-N 3 2 296.459 0.565 20 0 CCADLP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000338309390 355317199 /nfs/dbraw/zinc/31/71/99/355317199.db2.gz URCXPJNKBWZHJQ-CABCVRRESA-N 3 2 296.459 0.565 20 0 CCADLP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)N2CC[NH+](C)CC2)CC[NH+]1C ZINC000338309390 355317202 /nfs/dbraw/zinc/31/72/02/355317202.db2.gz URCXPJNKBWZHJQ-CABCVRRESA-N 3 2 296.459 0.565 20 0 CCADLP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)N2CC[NH+](C)CC2)CC[NH+]1C ZINC000338309390 355317206 /nfs/dbraw/zinc/31/72/06/355317206.db2.gz URCXPJNKBWZHJQ-CABCVRRESA-N 3 2 296.459 0.565 20 0 CCADLP Cn1nccc1C[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338350247 355329239 /nfs/dbraw/zinc/32/92/39/355329239.db2.gz DWFLMTSLQCDTQL-UHFFFAOYSA-N 2 2 279.388 0.016 20 0 CCADLP Cn1nccc1C[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338350247 355329240 /nfs/dbraw/zinc/32/92/40/355329240.db2.gz DWFLMTSLQCDTQL-UHFFFAOYSA-N 2 2 279.388 0.016 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCN1CC[NH+](C)CC1(C)C ZINC000337190524 355282189 /nfs/dbraw/zinc/28/21/89/355282189.db2.gz SOYIJPDTOFNPQL-CYBMUJFWSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCN1CC[NH+](C)CC1(C)C ZINC000337190524 355282191 /nfs/dbraw/zinc/28/21/91/355282191.db2.gz SOYIJPDTOFNPQL-CYBMUJFWSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN1CC[N@H+](C)CC1(C)C ZINC000337190524 355282193 /nfs/dbraw/zinc/28/21/93/355282193.db2.gz SOYIJPDTOFNPQL-CYBMUJFWSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN1CC[N@@H+](C)CC1(C)C ZINC000337190524 355282194 /nfs/dbraw/zinc/28/21/94/355282194.db2.gz SOYIJPDTOFNPQL-CYBMUJFWSA-N 2 2 255.406 0.733 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NCCNc1cc[nH+]cc1 ZINC000558647636 291065484 /nfs/dbraw/zinc/06/54/84/291065484.db2.gz UHPQIUMGANXKKD-UHFFFAOYSA-N 2 2 274.328 0.148 20 0 CCADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)C[C@@H]1O ZINC000341039344 355591706 /nfs/dbraw/zinc/59/17/06/355591706.db2.gz NMWNTIIZSHFOIO-MCIONIFRSA-N 2 2 283.416 0.242 20 0 CCADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)C[C@@H]1O ZINC000341039344 355591708 /nfs/dbraw/zinc/59/17/08/355591708.db2.gz NMWNTIIZSHFOIO-MCIONIFRSA-N 2 2 283.416 0.242 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000341089003 355603327 /nfs/dbraw/zinc/60/33/27/355603327.db2.gz YDXLDBCGTVMSBX-ZDUSSCGKSA-N 2 2 297.403 0.539 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000341089003 355603330 /nfs/dbraw/zinc/60/33/30/355603330.db2.gz YDXLDBCGTVMSBX-ZDUSSCGKSA-N 2 2 297.403 0.539 20 0 CCADLP CO[C@@H](C[NH+]1CCN(C(=O)C[NH+](C)C)CC1)C1CC1 ZINC000425388533 235292088 /nfs/dbraw/zinc/29/20/88/235292088.db2.gz XDBARSWUYUEBTF-ZDUSSCGKSA-N 2 2 269.389 0.117 20 0 CCADLP O=C(NCC[NH+]1CCSCC1)[C@@H]1CC[NH2+]CC1(F)F ZINC000342766032 355741773 /nfs/dbraw/zinc/74/17/73/355741773.db2.gz RSIJDEWDZRUJCD-JTQLQIEISA-N 2 2 293.383 0.396 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000427288102 235358275 /nfs/dbraw/zinc/35/82/75/235358275.db2.gz NWWHARHVZCHMEB-KBPBESRZSA-N 2 2 283.416 0.603 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000427288102 235358277 /nfs/dbraw/zinc/35/82/77/235358277.db2.gz NWWHARHVZCHMEB-KBPBESRZSA-N 2 2 283.416 0.603 20 0 CCADLP Cc1c[nH+]c(CN2CC[NH+](C[C@@H]3CCOC3)CC2)n1C ZINC000342806031 355750709 /nfs/dbraw/zinc/75/07/09/355750709.db2.gz IFTBYKMUSAAUPN-AWEZNQCLSA-N 2 2 278.400 0.883 20 0 CCADLP CCOC(=O)[C@H]([NH2+]CCn1cc[nH+]c1)C1CCOCC1 ZINC000348775914 355978012 /nfs/dbraw/zinc/97/80/12/355978012.db2.gz NWEXESMNQIESNF-CYBMUJFWSA-N 2 2 281.356 0.831 20 0 CCADLP c1[nH+]c2ccccn2c1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000348776665 355978498 /nfs/dbraw/zinc/97/84/98/355978498.db2.gz RHZDSUOAIGRRFZ-AWEZNQCLSA-N 2 2 272.352 0.851 20 0 CCADLP c1[nH+]c2ccccn2c1C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000348776665 355978501 /nfs/dbraw/zinc/97/85/01/355978501.db2.gz RHZDSUOAIGRRFZ-AWEZNQCLSA-N 2 2 272.352 0.851 20 0 CCADLP CCOc1cccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000352694872 356056861 /nfs/dbraw/zinc/05/68/61/356056861.db2.gz SBYJEMPQCZXNRE-OAHLLOKOSA-N 2 2 290.411 0.960 20 0 CCADLP C[C@H](CN1CCOCC1)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000352715842 356061023 /nfs/dbraw/zinc/06/10/23/356061023.db2.gz GOPKZVLWIUAJHP-GUTXKFCHSA-N 2 2 267.417 0.779 20 0 CCADLP C[C@H](CN1CCOCC1)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000352715842 356061025 /nfs/dbraw/zinc/06/10/25/356061025.db2.gz GOPKZVLWIUAJHP-GUTXKFCHSA-N 2 2 267.417 0.779 20 0 CCADLP COCC1(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000352437706 356012783 /nfs/dbraw/zinc/01/27/83/356012783.db2.gz NVOKWXOOSVVZHX-UHFFFAOYSA-N 2 2 297.443 0.897 20 0 CCADLP COCC1(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000352437706 356012788 /nfs/dbraw/zinc/01/27/88/356012788.db2.gz NVOKWXOOSVVZHX-UHFFFAOYSA-N 2 2 297.443 0.897 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CO1 ZINC000352988561 356128337 /nfs/dbraw/zinc/12/83/37/356128337.db2.gz LQHCCSFOFNYKQZ-CHWSQXEVSA-N 2 2 283.416 0.554 20 0 CCADLP COc1cccc(OC)c1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000352737298 356067424 /nfs/dbraw/zinc/06/74/24/356067424.db2.gz KHJRMEIOJKYDLH-OAHLLOKOSA-N 2 2 280.368 0.860 20 0 CCADLP COc1cccc(OC)c1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000352737298 356067428 /nfs/dbraw/zinc/06/74/28/356067428.db2.gz KHJRMEIOJKYDLH-OAHLLOKOSA-N 2 2 280.368 0.860 20 0 CCADLP COC[C@H](O)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352771656 356075887 /nfs/dbraw/zinc/07/58/87/356075887.db2.gz OZCJRORLMGYAPW-SECBINFHSA-N 2 2 259.375 0.302 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[NH+](C)C[C@@H]2C)C1 ZINC000352813045 356087662 /nfs/dbraw/zinc/08/76/62/356087662.db2.gz ITGOGCHBYCRKIE-AGIUHOORSA-N 2 2 269.389 0.258 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[NH+](C)C[C@@H]2C)C1 ZINC000352813045 356087663 /nfs/dbraw/zinc/08/76/63/356087663.db2.gz ITGOGCHBYCRKIE-AGIUHOORSA-N 2 2 269.389 0.258 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000352813045 356087664 /nfs/dbraw/zinc/08/76/64/356087664.db2.gz ITGOGCHBYCRKIE-AGIUHOORSA-N 2 2 269.389 0.258 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000352813045 356087665 /nfs/dbraw/zinc/08/76/65/356087665.db2.gz ITGOGCHBYCRKIE-AGIUHOORSA-N 2 2 269.389 0.258 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)COC(F)F ZINC000352845565 356095241 /nfs/dbraw/zinc/09/52/41/356095241.db2.gz XSAPPROTIZHCIM-UHFFFAOYSA-N 2 2 293.358 0.710 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)COC(F)F ZINC000352845565 356095245 /nfs/dbraw/zinc/09/52/45/356095245.db2.gz XSAPPROTIZHCIM-UHFFFAOYSA-N 2 2 293.358 0.710 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCCn2cc(CO)nn2)C1 ZINC000353191898 356174852 /nfs/dbraw/zinc/17/48/52/356174852.db2.gz LAAATPQHTLLDAI-DGCLKSJQSA-N 2 2 267.377 0.090 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCCn2cc(CO)nn2)C1 ZINC000353191898 356174857 /nfs/dbraw/zinc/17/48/57/356174857.db2.gz LAAATPQHTLLDAI-DGCLKSJQSA-N 2 2 267.377 0.090 20 0 CCADLP CO[C@H](C[NH3+])C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000353463653 356228310 /nfs/dbraw/zinc/22/83/10/356228310.db2.gz WBSKSDLYNLMZBC-CQSZACIVSA-N 2 2 293.367 0.431 20 0 CCADLP Cn1cc(C[N@H+](C)C2CC[NH+](CCO)CC2)cn1 ZINC000353351938 356207650 /nfs/dbraw/zinc/20/76/50/356207650.db2.gz KYRKEXVOTOIKQF-UHFFFAOYSA-N 2 2 252.362 0.309 20 0 CCADLP Cn1cc(C[N@@H+](C)C2CC[NH+](CCO)CC2)cn1 ZINC000353351938 356207651 /nfs/dbraw/zinc/20/76/51/356207651.db2.gz KYRKEXVOTOIKQF-UHFFFAOYSA-N 2 2 252.362 0.309 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)C1CC1 ZINC000360819018 138011932 /nfs/dbraw/zinc/01/19/32/138011932.db2.gz PTDMDASBRFYZBO-VHSXEESVSA-N 2 2 261.316 0.440 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)Cn1cc[nH+]c1 ZINC000360820689 138012459 /nfs/dbraw/zinc/01/24/59/138012459.db2.gz WIMJCQWYSYVIDO-UWVGGRQHSA-N 2 2 272.299 0.633 20 0 CCADLP C[C@]1(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CCC[NH2+]C1 ZINC000353668355 356269121 /nfs/dbraw/zinc/26/91/21/356269121.db2.gz NGVVYEIPUCQWPE-HNNXBMFYSA-N 2 2 291.399 0.444 20 0 CCADLP CCn1nccc1C[N@H+](CCO)CCn1cc[nH+]c1 ZINC000361370263 138032223 /nfs/dbraw/zinc/03/22/23/138032223.db2.gz RDQKWXISPOJYPQ-UHFFFAOYSA-N 2 2 263.345 0.594 20 0 CCADLP CCn1nccc1C[N@@H+](CCO)CCn1cc[nH+]c1 ZINC000361370263 138032224 /nfs/dbraw/zinc/03/22/24/138032224.db2.gz RDQKWXISPOJYPQ-UHFFFAOYSA-N 2 2 263.345 0.594 20 0 CCADLP O=C(NCC[NH+]1CCCC1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000353818256 356299765 /nfs/dbraw/zinc/29/97/65/356299765.db2.gz TXJVKBICJHHUSU-HNNXBMFYSA-N 2 2 295.427 0.842 20 0 CCADLP O=C(NCC[NH+]1CCCC1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000353818256 356299771 /nfs/dbraw/zinc/29/97/71/356299771.db2.gz TXJVKBICJHHUSU-HNNXBMFYSA-N 2 2 295.427 0.842 20 0 CCADLP CC[C@H](CO)[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000361120607 138022079 /nfs/dbraw/zinc/02/20/79/138022079.db2.gz BYCVUYCFHZWANX-GFCCVEGCSA-N 2 2 272.389 0.765 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H](O)C2CC2)CC1 ZINC000361124071 138022360 /nfs/dbraw/zinc/02/23/60/138022360.db2.gz QZUYLINXKOGXCF-AWEZNQCLSA-N 2 2 284.400 0.765 20 0 CCADLP Cn1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c(C(F)F)n1 ZINC000361136143 138022935 /nfs/dbraw/zinc/02/29/35/138022935.db2.gz MIAMDCXZVLGNRQ-LBPRGKRZSA-N 2 2 274.315 0.514 20 0 CCADLP Cn1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c(C(F)F)n1 ZINC000361136143 138022936 /nfs/dbraw/zinc/02/29/36/138022936.db2.gz MIAMDCXZVLGNRQ-LBPRGKRZSA-N 2 2 274.315 0.514 20 0 CCADLP OC[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000361138793 138023181 /nfs/dbraw/zinc/02/31/81/138023181.db2.gz CVDDATUFDKGOCL-JQWIXIFHSA-N 2 2 279.365 0.861 20 0 CCADLP OC[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000361138793 138023182 /nfs/dbraw/zinc/02/31/82/138023182.db2.gz CVDDATUFDKGOCL-JQWIXIFHSA-N 2 2 279.365 0.861 20 0 CCADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)CC(N)=O)CC1 ZINC000361231989 138025514 /nfs/dbraw/zinc/02/55/14/138025514.db2.gz WKEQNJHGHRSAHD-NSHDSACASA-N 2 2 271.405 0.729 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000362084684 138045882 /nfs/dbraw/zinc/04/58/82/138045882.db2.gz DOXAGUOCPKYXSX-KBPBESRZSA-N 2 2 298.431 0.300 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000362084684 138045883 /nfs/dbraw/zinc/04/58/83/138045883.db2.gz DOXAGUOCPKYXSX-KBPBESRZSA-N 2 2 298.431 0.300 20 0 CCADLP CC1CC[NH+](CC(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000354331953 356391145 /nfs/dbraw/zinc/39/11/45/356391145.db2.gz SOCFGWKIKNJHNT-CQSZACIVSA-N 2 2 283.416 0.555 20 0 CCADLP CC1CC[NH+](CC(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC000354331953 356391148 /nfs/dbraw/zinc/39/11/48/356391148.db2.gz SOCFGWKIKNJHNT-CQSZACIVSA-N 2 2 283.416 0.555 20 0 CCADLP COC(=O)C(C)(C)CC[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000354333244 356392333 /nfs/dbraw/zinc/39/23/33/356392333.db2.gz XORGXHPNFLTPFH-GFCCVEGCSA-N 2 2 271.405 0.411 20 0 CCADLP COC(=O)C(C)(C)CC[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000354333244 356392339 /nfs/dbraw/zinc/39/23/39/356392339.db2.gz XORGXHPNFLTPFH-GFCCVEGCSA-N 2 2 271.405 0.411 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NCc2[nH]c[nH+]c2C)C1 ZINC000354361925 356399356 /nfs/dbraw/zinc/39/93/56/356399356.db2.gz SINKCAJYMPXICB-NSHDSACASA-N 2 2 252.318 0.055 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NCc2[nH]c[nH+]c2C)C1 ZINC000354361925 356399358 /nfs/dbraw/zinc/39/93/58/356399358.db2.gz SINKCAJYMPXICB-NSHDSACASA-N 2 2 252.318 0.055 20 0 CCADLP Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362672933 138068729 /nfs/dbraw/zinc/06/87/29/138068729.db2.gz NEBVKPUBYGWNJU-CYBMUJFWSA-N 2 2 291.399 0.423 20 0 CCADLP Cc1n[nH]c(C)c1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362672933 138068730 /nfs/dbraw/zinc/06/87/30/138068730.db2.gz NEBVKPUBYGWNJU-CYBMUJFWSA-N 2 2 291.399 0.423 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363182830 138087018 /nfs/dbraw/zinc/08/70/18/138087018.db2.gz HPHABCKMHUGDBZ-NWDGAFQWSA-N 2 2 293.371 0.083 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000363182830 138087019 /nfs/dbraw/zinc/08/70/19/138087019.db2.gz HPHABCKMHUGDBZ-NWDGAFQWSA-N 2 2 293.371 0.083 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCOC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354945700 356534231 /nfs/dbraw/zinc/53/42/31/356534231.db2.gz BZWWSZBHYSUFRM-KGLIPLIRSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCOC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354945700 356534235 /nfs/dbraw/zinc/53/42/35/356534235.db2.gz BZWWSZBHYSUFRM-KGLIPLIRSA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+]1CCc2nc(NC(=O)[C@@H]3C[N@H+](C)CCO3)sc2C1 ZINC000174172608 283175809 /nfs/dbraw/zinc/17/58/09/283175809.db2.gz ONSQDFVINPTLTA-JTQLQIEISA-N 2 2 296.396 0.400 20 0 CCADLP C[NH+]1CCc2nc(NC(=O)[C@@H]3C[N@@H+](C)CCO3)sc2C1 ZINC000174172608 283175811 /nfs/dbraw/zinc/17/58/11/283175811.db2.gz ONSQDFVINPTLTA-JTQLQIEISA-N 2 2 296.396 0.400 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000174172608 283175812 /nfs/dbraw/zinc/17/58/12/283175812.db2.gz ONSQDFVINPTLTA-JTQLQIEISA-N 2 2 296.396 0.400 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000174172608 283175813 /nfs/dbraw/zinc/17/58/13/283175813.db2.gz ONSQDFVINPTLTA-JTQLQIEISA-N 2 2 296.396 0.400 20 0 CCADLP CC1(C)CCC[N@@H+]1CCNC(=O)Cn1cc[nH+]c1 ZINC000560483689 291104907 /nfs/dbraw/zinc/10/49/07/291104907.db2.gz CYYVFKBLSZFFJR-UHFFFAOYSA-N 2 2 250.346 0.874 20 0 CCADLP CC1(C)CCC[N@H+]1CCNC(=O)Cn1cc[nH+]c1 ZINC000560483689 291104910 /nfs/dbraw/zinc/10/49/10/291104910.db2.gz CYYVFKBLSZFFJR-UHFFFAOYSA-N 2 2 250.346 0.874 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157471 363475383 /nfs/dbraw/zinc/47/53/83/363475383.db2.gz SGLYCYRHDNGCDE-WDEREUQCSA-N 2 2 279.344 0.364 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157471 363475390 /nfs/dbraw/zinc/47/53/90/363475390.db2.gz SGLYCYRHDNGCDE-WDEREUQCSA-N 2 2 279.344 0.364 20 0 CCADLP Cc1nc(N)c(CNC(=O)C2CC[NH+](C3CC3)CC2)c[nH+]1 ZINC000560501556 291106048 /nfs/dbraw/zinc/10/60/48/291106048.db2.gz IVNSGCCVLRCANH-UHFFFAOYSA-N 2 2 289.383 0.688 20 0 CCADLP COC(=O)CNC(=O)CC[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000609537149 363502804 /nfs/dbraw/zinc/50/28/04/363502804.db2.gz NMRYWMFTEUFYNV-LBPRGKRZSA-N 2 2 285.388 0.128 20 0 CCADLP COC(=O)CNC(=O)CC[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000609537149 363502805 /nfs/dbraw/zinc/50/28/05/363502805.db2.gz NMRYWMFTEUFYNV-LBPRGKRZSA-N 2 2 285.388 0.128 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]CCNC(=O)c2ccn[nH]2)[C@@H](C)C1 ZINC000355778161 356645600 /nfs/dbraw/zinc/64/56/00/356645600.db2.gz LZJCTXSRLYMYPP-JQWIXIFHSA-N 2 2 265.361 0.069 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]CCNC(=O)c2ccn[nH]2)[C@@H](C)C1 ZINC000355778161 356645604 /nfs/dbraw/zinc/64/56/04/356645604.db2.gz LZJCTXSRLYMYPP-JQWIXIFHSA-N 2 2 265.361 0.069 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@H+](CCn2cc[nH+]c2)C1 ZINC000328961819 202132142 /nfs/dbraw/zinc/13/21/42/202132142.db2.gz QTSUGUPBLNVFHA-KBPBESRZSA-N 2 2 292.383 0.595 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@@H+](CCn2cc[nH+]c2)C1 ZINC000328961819 202132144 /nfs/dbraw/zinc/13/21/44/202132144.db2.gz QTSUGUPBLNVFHA-KBPBESRZSA-N 2 2 292.383 0.595 20 0 CCADLP O[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1CCn1cc[nH+]c1 ZINC000328984301 202139079 /nfs/dbraw/zinc/13/90/79/202139079.db2.gz STOKYEXISNZFGG-HZSPNIEDSA-N 2 2 265.357 0.745 20 0 CCADLP O[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@H+]1CCn1cc[nH+]c1 ZINC000328984301 202139083 /nfs/dbraw/zinc/13/90/83/202139083.db2.gz STOKYEXISNZFGG-HZSPNIEDSA-N 2 2 265.357 0.745 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000356352314 356751425 /nfs/dbraw/zinc/75/14/25/356751425.db2.gz KOCWTBKOFMUJOG-ZDUSSCGKSA-N 2 2 296.415 0.197 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000356352314 356751427 /nfs/dbraw/zinc/75/14/27/356751427.db2.gz KOCWTBKOFMUJOG-ZDUSSCGKSA-N 2 2 296.415 0.197 20 0 CCADLP Cc1ccccc1CNC(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359269828 356790607 /nfs/dbraw/zinc/79/06/07/356790607.db2.gz CZODUVZRCUCBCS-HUUCEWRRSA-N 2 2 273.380 0.762 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000532763154 358513270 /nfs/dbraw/zinc/51/32/70/358513270.db2.gz FPHMUCOXRCKDPK-NEPJUHHUSA-N 2 2 273.340 0.847 20 0 CCADLP CCCN(CC[NH+](C)C)C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000344839737 283229637 /nfs/dbraw/zinc/22/96/37/283229637.db2.gz BQYKGCLSWSMBNS-AWEZNQCLSA-N 2 2 284.448 0.423 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCn3ccnc32)CC1 ZINC000655702282 412647500 /nfs/dbraw/zinc/64/75/00/412647500.db2.gz RHSNUTIWIPNROP-LBPRGKRZSA-N 2 2 277.372 0.082 20 0 CCADLP C[N@@H+]1CC[C@@H]2OCCN(C(=O)CCc3c[nH+]c[nH]3)[C@H]2C1 ZINC000329156489 202208822 /nfs/dbraw/zinc/20/88/22/202208822.db2.gz BYJBNYPIUPMGCG-STQMWFEESA-N 2 2 278.356 0.274 20 0 CCADLP C[N@H+]1CC[C@@H]2OCCN(C(=O)CCc3c[nH+]c[nH]3)[C@H]2C1 ZINC000329156489 202208824 /nfs/dbraw/zinc/20/88/24/202208824.db2.gz BYJBNYPIUPMGCG-STQMWFEESA-N 2 2 278.356 0.274 20 0 CCADLP C[N@@H+]1CC[C@@H]2OCCN(C(=O)CCc3c[nH]c[nH+]3)[C@H]2C1 ZINC000329156489 202208826 /nfs/dbraw/zinc/20/88/26/202208826.db2.gz BYJBNYPIUPMGCG-STQMWFEESA-N 2 2 278.356 0.274 20 0 CCADLP C[N@H+]1CC[C@@H]2OCCN(C(=O)CCc3c[nH]c[nH+]3)[C@H]2C1 ZINC000329156489 202208829 /nfs/dbraw/zinc/20/88/29/202208829.db2.gz BYJBNYPIUPMGCG-STQMWFEESA-N 2 2 278.356 0.274 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360549286 357038811 /nfs/dbraw/zinc/03/88/11/357038811.db2.gz FGUJYNHRTYIFFR-NFAWXSAZSA-N 2 2 281.400 0.356 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360549286 357038814 /nfs/dbraw/zinc/03/88/14/357038814.db2.gz FGUJYNHRTYIFFR-NFAWXSAZSA-N 2 2 281.400 0.356 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)Cn1cc[nH+]c1 ZINC000362818219 357057132 /nfs/dbraw/zinc/05/71/32/357057132.db2.gz SJQVWMALORFUJR-JHJVBQTASA-N 2 2 264.373 0.833 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)Cn1cc[nH+]c1 ZINC000362818219 357057133 /nfs/dbraw/zinc/05/71/33/357057133.db2.gz SJQVWMALORFUJR-JHJVBQTASA-N 2 2 264.373 0.833 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CCOC3)C2)CC1 ZINC000364208139 357096204 /nfs/dbraw/zinc/09/62/04/357096204.db2.gz RAZCQWXWCMUUPF-OLZOCXBDSA-N 2 2 281.400 0.308 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CCOC3)C2)CC1 ZINC000364208139 357096207 /nfs/dbraw/zinc/09/62/07/357096207.db2.gz RAZCQWXWCMUUPF-OLZOCXBDSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(C)(C)O ZINC000655741349 412654746 /nfs/dbraw/zinc/65/47/46/412654746.db2.gz IETXNFQDMBSUMI-AAEUAGOBSA-N 2 2 256.390 0.989 20 0 CCADLP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)NCC2CC2)CC1 ZINC000377393514 357570897 /nfs/dbraw/zinc/57/08/97/357570897.db2.gz SMDCRCUMHKYBIZ-ZDUSSCGKSA-N 2 2 253.390 0.929 20 0 CCADLP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)NCC2CC2)CC1 ZINC000377393514 357570901 /nfs/dbraw/zinc/57/09/01/357570901.db2.gz SMDCRCUMHKYBIZ-ZDUSSCGKSA-N 2 2 253.390 0.929 20 0 CCADLP C[C@H](C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC000449199739 236021995 /nfs/dbraw/zinc/02/19/95/236021995.db2.gz FYEUCDHAFFIQQL-KFWWJZLASA-N 2 2 295.427 0.555 20 0 CCADLP C[C@H](C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC000449199738 236022203 /nfs/dbraw/zinc/02/22/03/236022203.db2.gz FYEUCDHAFFIQQL-ILXRZTDVSA-N 2 2 295.427 0.555 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000377951144 357634266 /nfs/dbraw/zinc/63/42/66/357634266.db2.gz KBVATHZVXGKGNC-CQSZACIVSA-N 2 2 292.383 0.767 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000377951144 357634268 /nfs/dbraw/zinc/63/42/68/357634268.db2.gz KBVATHZVXGKGNC-CQSZACIVSA-N 2 2 292.383 0.767 20 0 CCADLP CC(C)NC(=O)[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655777349 412658183 /nfs/dbraw/zinc/65/81/83/412658183.db2.gz UEOODIZOAAJOPN-OCCSQVGLSA-N 2 2 283.416 0.742 20 0 CCADLP CCn1nnc(C)c1C[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000449122370 236017778 /nfs/dbraw/zinc/01/77/78/236017778.db2.gz LCBXGEKQFCACBG-AWEZNQCLSA-N 2 2 295.431 0.789 20 0 CCADLP C[C@@H](CNC(=O)[C@H]([NH3+])c1cscn1)C[NH+]1CCCC1 ZINC000574036187 334986675 /nfs/dbraw/zinc/98/66/75/334986675.db2.gz KTWQPDBNWWZATL-CMPLNLGQSA-N 2 2 282.413 0.991 20 0 CCADLP CN(C)C(=O)CN1CCC[N@H+](CCCn2cc[nH+]c2)CC1 ZINC000378441954 357681510 /nfs/dbraw/zinc/68/15/10/357681510.db2.gz BIRVQTSENXGYNQ-UHFFFAOYSA-N 2 2 293.415 0.369 20 0 CCADLP CN(C)C(=O)CN1CCC[N@@H+](CCCn2cc[nH+]c2)CC1 ZINC000378441954 357681515 /nfs/dbraw/zinc/68/15/15/357681515.db2.gz BIRVQTSENXGYNQ-UHFFFAOYSA-N 2 2 293.415 0.369 20 0 CCADLP [NH3+][C@H](Cc1ccccc1)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449648770 236043101 /nfs/dbraw/zinc/04/31/01/236043101.db2.gz UOERHHHCKMMBHY-CHWSQXEVSA-N 2 2 297.349 0.917 20 0 CCADLP CCC[N@H+](CCS(=O)(=O)N(C)C)C1CC[NH2+]CC1 ZINC000380825007 357706971 /nfs/dbraw/zinc/70/69/71/357706971.db2.gz ZDZBQBWZCKTSPW-UHFFFAOYSA-N 2 2 277.434 0.342 20 0 CCADLP CCC[N@@H+](CCS(=O)(=O)N(C)C)C1CC[NH2+]CC1 ZINC000380825007 357706974 /nfs/dbraw/zinc/70/69/74/357706974.db2.gz ZDZBQBWZCKTSPW-UHFFFAOYSA-N 2 2 277.434 0.342 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC2(CCC2)C1 ZINC000381041329 357707735 /nfs/dbraw/zinc/70/77/35/357707735.db2.gz VYDJVLJMHKNIDU-CYBMUJFWSA-N 2 2 256.390 0.802 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC2(CCC2)C1 ZINC000381041329 357707741 /nfs/dbraw/zinc/70/77/41/357707741.db2.gz VYDJVLJMHKNIDU-CYBMUJFWSA-N 2 2 256.390 0.802 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC2(CCC2)C1 ZINC000381041329 357707747 /nfs/dbraw/zinc/70/77/47/357707747.db2.gz VYDJVLJMHKNIDU-CYBMUJFWSA-N 2 2 256.390 0.802 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC2(CCC2)C1 ZINC000381041329 357707751 /nfs/dbraw/zinc/70/77/51/357707751.db2.gz VYDJVLJMHKNIDU-CYBMUJFWSA-N 2 2 256.390 0.802 20 0 CCADLP C[N@@H+]1CCN(C(=O)C2CCSCC2)[C@@H](C[NH3+])C1 ZINC000401724564 357804481 /nfs/dbraw/zinc/80/44/81/357804481.db2.gz ZQHZQMDGGLEAPX-NSHDSACASA-N 2 2 257.403 0.231 20 0 CCADLP C[N@H+]1CCN(C(=O)C2CCSCC2)[C@@H](C[NH3+])C1 ZINC000401724564 357804486 /nfs/dbraw/zinc/80/44/86/357804486.db2.gz ZQHZQMDGGLEAPX-NSHDSACASA-N 2 2 257.403 0.231 20 0 CCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc[nH+]cc1C(N)=O ZINC000561359362 291127822 /nfs/dbraw/zinc/12/78/22/291127822.db2.gz YQKMLQJZUFMEKV-RYUDHWBXSA-N 2 2 290.367 0.480 20 0 CCADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000412428430 358119099 /nfs/dbraw/zinc/11/90/99/358119099.db2.gz YFSLSIYLBINYHR-MCIONIFRSA-N 2 2 283.416 0.695 20 0 CCADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000412428430 358119102 /nfs/dbraw/zinc/11/91/02/358119102.db2.gz YFSLSIYLBINYHR-MCIONIFRSA-N 2 2 283.416 0.695 20 0 CCADLP Cn1cc(C[NH2+]C[C@@H]2C[NH2+]CCO2)c(C(C)(C)C)n1 ZINC000415095744 358124465 /nfs/dbraw/zinc/12/44/65/358124465.db2.gz OASJURJWHKFFDD-LBPRGKRZSA-N 2 2 266.389 0.796 20 0 CCADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420352040 358179990 /nfs/dbraw/zinc/17/99/90/358179990.db2.gz LPICFHKCTPYNBO-LSDHHAIUSA-N 2 2 293.411 0.848 20 0 CCADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420352040 358179994 /nfs/dbraw/zinc/17/99/94/358179994.db2.gz LPICFHKCTPYNBO-LSDHHAIUSA-N 2 2 293.411 0.848 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000422791990 358192935 /nfs/dbraw/zinc/19/29/35/358192935.db2.gz YYKKZONVNOQIJZ-WCQYABFASA-N 2 2 269.389 0.483 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000422791990 358192939 /nfs/dbraw/zinc/19/29/39/358192939.db2.gz YYKKZONVNOQIJZ-WCQYABFASA-N 2 2 269.389 0.483 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000423029230 358196037 /nfs/dbraw/zinc/19/60/37/358196037.db2.gz HTOSCTKLVGLUTJ-SYQHCUMBSA-N 2 2 255.406 0.826 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000423029230 358196040 /nfs/dbraw/zinc/19/60/40/358196040.db2.gz HTOSCTKLVGLUTJ-SYQHCUMBSA-N 2 2 255.406 0.826 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCCN(C)[C@@H]1C ZINC000423029230 358196043 /nfs/dbraw/zinc/19/60/43/358196043.db2.gz HTOSCTKLVGLUTJ-SYQHCUMBSA-N 2 2 255.406 0.826 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1COCC[NH2+]1)[N@@H+]1CCCC[C@H]1C ZINC000430744661 358228135 /nfs/dbraw/zinc/22/81/35/358228135.db2.gz SXQUUMAZCQVRDJ-UPJWGTAASA-N 2 2 269.389 0.354 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1COCC[NH2+]1)[N@H+]1CCCC[C@H]1C ZINC000430744661 358228137 /nfs/dbraw/zinc/22/81/37/358228137.db2.gz SXQUUMAZCQVRDJ-UPJWGTAASA-N 2 2 269.389 0.354 20 0 CCADLP C[C@@H](C(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000435238909 358235832 /nfs/dbraw/zinc/23/58/32/358235832.db2.gz HUYNAZZDVVDPMK-WCQYABFASA-N 2 2 267.373 0.060 20 0 CCADLP CCn1ncc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])n1 ZINC000530214151 358379606 /nfs/dbraw/zinc/37/96/06/358379606.db2.gz YOHPNBFNVJYQRN-MVWJERBFSA-N 2 2 253.350 0.140 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH3+])[C@H]1CCN(C2CCCCC2)C1=O ZINC000530226670 358383198 /nfs/dbraw/zinc/38/31/98/358383198.db2.gz PPTDCUWXYARSFR-STQMWFEESA-N 2 2 269.389 0.171 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH3+])[C@H]1CCN(C2CCCCC2)C1=O ZINC000530226670 358383199 /nfs/dbraw/zinc/38/31/99/358383199.db2.gz PPTDCUWXYARSFR-STQMWFEESA-N 2 2 269.389 0.171 20 0 CCADLP CC(C)OC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000562477832 291154842 /nfs/dbraw/zinc/15/48/42/291154842.db2.gz QDVAOULVIMINOJ-BFHYXJOUSA-N 2 2 256.390 0.941 20 0 CCADLP CC(C)OC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000562477832 291154844 /nfs/dbraw/zinc/15/48/44/291154844.db2.gz QDVAOULVIMINOJ-BFHYXJOUSA-N 2 2 256.390 0.941 20 0 CCADLP CC(C)OC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000562477832 291154846 /nfs/dbraw/zinc/15/48/46/291154846.db2.gz QDVAOULVIMINOJ-BFHYXJOUSA-N 2 2 256.390 0.941 20 0 CCADLP CC(C)OC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000562477832 291154847 /nfs/dbraw/zinc/15/48/47/291154847.db2.gz QDVAOULVIMINOJ-BFHYXJOUSA-N 2 2 256.390 0.941 20 0 CCADLP CCOC(=O)CC[C@@H](O)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000567708768 358574091 /nfs/dbraw/zinc/57/40/91/358574091.db2.gz WFBZDVUBYMHZKP-GHMZBOCLSA-N 2 2 281.356 0.561 20 0 CCADLP CCOC(=O)CC[C@@H](O)C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000567708768 358574095 /nfs/dbraw/zinc/57/40/95/358574095.db2.gz WFBZDVUBYMHZKP-GHMZBOCLSA-N 2 2 281.356 0.561 20 0 CCADLP Cc1cccc(OC[C@H](O)C[NH2+]C[C@@H](O)C[NH+](C)C)c1 ZINC000567734397 358579314 /nfs/dbraw/zinc/57/93/14/358579314.db2.gz GQMKKNSKENKDCU-ZIAGYGMSSA-N 2 2 282.384 0.247 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2C[C@H]1CS2 ZINC000568181492 358642689 /nfs/dbraw/zinc/64/26/89/358642689.db2.gz URHXJOICOXHGPQ-TUAOUCFPSA-N 2 2 260.403 0.115 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2C[C@H]1CS2 ZINC000568181492 358642696 /nfs/dbraw/zinc/64/26/96/358642696.db2.gz URHXJOICOXHGPQ-TUAOUCFPSA-N 2 2 260.403 0.115 20 0 CCADLP 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/nfs/dbraw/zinc/30/68/25/237306825.db2.gz QLCKTLNJUICKSF-WGPFEIJOSA-N 2 2 278.356 0.648 20 0 CCADLP O[C@@H](Cn1cccn1)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591916151 359693397 /nfs/dbraw/zinc/69/33/97/359693397.db2.gz YKOFCLPJZOPKLJ-ZIAGYGMSSA-N 2 2 275.356 0.778 20 0 CCADLP O[C@@H](Cn1cccn1)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591916151 359693401 /nfs/dbraw/zinc/69/34/01/359693401.db2.gz YKOFCLPJZOPKLJ-ZIAGYGMSSA-N 2 2 275.356 0.778 20 0 CCADLP O[C@H](CN1CCOCC1)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591907673 359688777 /nfs/dbraw/zinc/68/87/77/359688777.db2.gz OFSMXLYQJQOAGG-HUUCEWRRSA-N 2 2 294.399 0.213 20 0 CCADLP O[C@H](CN1CCOCC1)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591907673 359688783 /nfs/dbraw/zinc/68/87/83/359688783.db2.gz OFSMXLYQJQOAGG-HUUCEWRRSA-N 2 2 294.399 0.213 20 0 CCADLP Cn1ccnc1C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000563136254 291197595 /nfs/dbraw/zinc/19/75/95/291197595.db2.gz VHJYXXYFLAMNRI-LBPRGKRZSA-N 2 2 264.373 0.607 20 0 CCADLP Cn1ccnc1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000563136254 291197596 /nfs/dbraw/zinc/19/75/96/291197596.db2.gz VHJYXXYFLAMNRI-LBPRGKRZSA-N 2 2 264.373 0.607 20 0 CCADLP CC[C@@H](C(=O)OC)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592182238 359778647 /nfs/dbraw/zinc/77/86/47/359778647.db2.gz MYLYXOMGKTYMPF-LBPRGKRZSA-N 2 2 270.373 0.735 20 0 CCADLP CC[C@@H](C(=O)OC)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592182238 359778650 /nfs/dbraw/zinc/77/86/50/359778650.db2.gz MYLYXOMGKTYMPF-LBPRGKRZSA-N 2 2 270.373 0.735 20 0 CCADLP COC(=O)[C@H]1C[C@@H](O)C[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000592209844 359798059 /nfs/dbraw/zinc/79/80/59/359798059.db2.gz YEMOWOQTRPVGGD-UONOGXRCSA-N 2 2 284.400 0.718 20 0 CCADLP COC(=O)[C@H]1C[C@@H](O)C[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000592209844 359798063 /nfs/dbraw/zinc/79/80/63/359798063.db2.gz YEMOWOQTRPVGGD-UONOGXRCSA-N 2 2 284.400 0.718 20 0 CCADLP C[C@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1n1ccnc1 ZINC000329474032 202351653 /nfs/dbraw/zinc/35/16/53/202351653.db2.gz BMFAQFKANIHLRC-WDEREUQCSA-N 2 2 276.344 0.388 20 0 CCADLP C[C@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1n1cc[nH+]c1 ZINC000329474032 202351659 /nfs/dbraw/zinc/35/16/59/202351659.db2.gz BMFAQFKANIHLRC-WDEREUQCSA-N 2 2 276.344 0.388 20 0 CCADLP C[C@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1n1cc[nH+]c1 ZINC000329474032 202351663 /nfs/dbraw/zinc/35/16/63/202351663.db2.gz BMFAQFKANIHLRC-WDEREUQCSA-N 2 2 276.344 0.388 20 0 CCADLP C[C@](C[NH3+])([NH2+]CC(=O)NC(=O)NC1CCCC1)C1CC1 ZINC000592475246 359850939 /nfs/dbraw/zinc/85/09/39/359850939.db2.gz FFGBCETYQWFVJF-CQSZACIVSA-N 2 2 282.388 0.472 20 0 CCADLP CCOCC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000563218837 291206963 /nfs/dbraw/zinc/20/69/63/291206963.db2.gz XGAOXGSPZLGLJK-UHFFFAOYSA-N 2 2 256.390 0.849 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC[NH2+]1 ZINC000621156365 366658433 /nfs/dbraw/zinc/65/84/33/366658433.db2.gz ZCCOJZWQGYYFAK-QWHCGFSZSA-N 2 2 276.384 0.902 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC[NH2+]1 ZINC000621159703 366662875 /nfs/dbraw/zinc/66/28/75/366662875.db2.gz QDRLYKDPKUIOGZ-RISCZKNCSA-N 2 2 276.384 0.971 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC[NH2+]1 ZINC000621159703 366662879 /nfs/dbraw/zinc/66/28/79/366662879.db2.gz QDRLYKDPKUIOGZ-RISCZKNCSA-N 2 2 276.384 0.971 20 0 CCADLP CC(C)N1CC[N@H+](CCc2c[nH+]cn2C)CC1=O ZINC000298256378 200373107 /nfs/dbraw/zinc/37/31/07/200373107.db2.gz FCNHYZUOPOCPEQ-UHFFFAOYSA-N 2 2 250.346 0.515 20 0 CCADLP CC(C)N1CC[N@@H+](CCc2c[nH+]cn2C)CC1=O ZINC000298256378 200373109 /nfs/dbraw/zinc/37/31/09/200373109.db2.gz FCNHYZUOPOCPEQ-UHFFFAOYSA-N 2 2 250.346 0.515 20 0 CCADLP Cc1cc(NC[C@@H](O)C[NH+]2CCOCC2)nc(C)[nH+]1 ZINC000298285877 200383541 /nfs/dbraw/zinc/38/35/41/200383541.db2.gz VZFLDUOBZMFGQS-GFCCVEGCSA-N 2 2 266.345 0.198 20 0 CCADLP CCOC(=O)c1cc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cn1C ZINC000593908844 360205140 /nfs/dbraw/zinc/20/51/40/360205140.db2.gz GOPBODHVJMZDMQ-NSHDSACASA-N 2 2 296.371 0.419 20 0 CCADLP CCOC(=O)CC[C@@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593907729 360205327 /nfs/dbraw/zinc/20/53/27/360205327.db2.gz SWGUCHWCYZKNAW-GHMZBOCLSA-N 2 2 273.377 0.113 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C(C)C)C1COC1 ZINC000563366547 291217837 /nfs/dbraw/zinc/21/78/37/291217837.db2.gz ZYJZJKBTQZTULZ-CYBMUJFWSA-N 2 2 260.378 0.035 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C(C)C)C1COC1 ZINC000563366547 291217840 /nfs/dbraw/zinc/21/78/40/291217840.db2.gz ZYJZJKBTQZTULZ-CYBMUJFWSA-N 2 2 260.378 0.035 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C(C)C)C1COC1 ZINC000563366547 291217844 /nfs/dbraw/zinc/21/78/44/291217844.db2.gz ZYJZJKBTQZTULZ-CYBMUJFWSA-N 2 2 260.378 0.035 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C(C)C)C1COC1 ZINC000563366547 291217847 /nfs/dbraw/zinc/21/78/47/291217847.db2.gz ZYJZJKBTQZTULZ-CYBMUJFWSA-N 2 2 260.378 0.035 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)N2CC(Oc3cc[nH+]cc3)C2)C1 ZINC000594171224 360254144 /nfs/dbraw/zinc/25/41/44/360254144.db2.gz YNFDJZOXYGBWBX-LLVKDONJSA-N 2 2 261.325 0.623 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)N2CC(Oc3cc[nH+]cc3)C2)C1 ZINC000594171224 360254148 /nfs/dbraw/zinc/25/41/48/360254148.db2.gz YNFDJZOXYGBWBX-LLVKDONJSA-N 2 2 261.325 0.623 20 0 CCADLP CCOC[C@H](C(=O)OC)[N@H+](C)CCCc1c[nH+]cn1C ZINC000593967500 360223920 /nfs/dbraw/zinc/22/39/20/360223920.db2.gz VNNVBTJKTDEUMT-CYBMUJFWSA-N 2 2 283.372 0.863 20 0 CCADLP CCOC[C@H](C(=O)OC)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000593967500 360223922 /nfs/dbraw/zinc/22/39/22/360223922.db2.gz VNNVBTJKTDEUMT-CYBMUJFWSA-N 2 2 283.372 0.863 20 0 CCADLP Cc1cccc2ncc(C[N@@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)n21 ZINC000594736953 360371306 /nfs/dbraw/zinc/37/13/06/360371306.db2.gz UNTYVWMZRMEOFE-OCCSQVGLSA-N 2 2 299.378 0.387 20 0 CCADLP Cc1cccc2ncc(C[N@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)n21 ZINC000594736953 360371309 /nfs/dbraw/zinc/37/13/09/360371309.db2.gz UNTYVWMZRMEOFE-OCCSQVGLSA-N 2 2 299.378 0.387 20 0 CCADLP Cc1noc(C)c1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594736682 360371386 /nfs/dbraw/zinc/37/13/86/360371386.db2.gz JYPWAQUIEHGSIG-JQWIXIFHSA-N 2 2 264.329 0.035 20 0 CCADLP Cc1noc(C)c1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594736682 360371388 /nfs/dbraw/zinc/37/13/88/360371388.db2.gz JYPWAQUIEHGSIG-JQWIXIFHSA-N 2 2 264.329 0.035 20 0 CCADLP c1cc2n(n1)C[C@@H](C[NH2+][C@@H]1CC[N@H+](CC3CC3)C1)CN2 ZINC000595143322 360442619 /nfs/dbraw/zinc/44/26/19/360442619.db2.gz ANTPDWMNDRCGMU-UONOGXRCSA-N 2 2 275.400 0.999 20 0 CCADLP c1cc2n(n1)C[C@@H](C[NH2+][C@@H]1CC[N@@H+](CC3CC3)C1)CN2 ZINC000595143322 360442624 /nfs/dbraw/zinc/44/26/24/360442624.db2.gz ANTPDWMNDRCGMU-UONOGXRCSA-N 2 2 275.400 0.999 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1C[C@H]1C(=O)OC ZINC000594927025 360417841 /nfs/dbraw/zinc/41/78/41/360417841.db2.gz QVOLWCLLQYYKTE-YIYPIFLZSA-N 2 2 284.400 0.884 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1C[C@H]1C(=O)OC ZINC000594927025 360417847 /nfs/dbraw/zinc/41/78/47/360417847.db2.gz QVOLWCLLQYYKTE-YIYPIFLZSA-N 2 2 284.400 0.884 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC[NH+]1CCC(OC)CC1 ZINC000594942055 360422784 /nfs/dbraw/zinc/42/27/84/360422784.db2.gz VQQBWKSCWIFOGI-MRVWCRGKSA-N 2 2 284.400 0.884 20 0 CCADLP COC(=O)CCN1CC[C@@H]([N@@H+]2CC[C@H](C[NH+](C)C)C2)C1=O ZINC000595321619 360495657 /nfs/dbraw/zinc/49/56/57/360495657.db2.gz XJJRPYRWGAYHNA-CHWSQXEVSA-N 2 2 297.399 0.034 20 0 CCADLP COC(=O)CCN1CC[C@@H]([N@H+]2CC[C@H](C[NH+](C)C)C2)C1=O ZINC000595321619 360495663 /nfs/dbraw/zinc/49/56/63/360495663.db2.gz XJJRPYRWGAYHNA-CHWSQXEVSA-N 2 2 297.399 0.034 20 0 CCADLP COC(=O)CCN1CC[C@H]([NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)C1=O ZINC000595893640 360693490 /nfs/dbraw/zinc/69/34/90/360693490.db2.gz TVXNBHVGRMKMIY-OWTLIXCDSA-N 2 2 297.399 0.127 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000563529874 291235021 /nfs/dbraw/zinc/23/50/21/291235021.db2.gz KBBCBSCAUUVOQW-CVEARBPZSA-N 2 2 277.412 0.425 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000563529874 291235022 /nfs/dbraw/zinc/23/50/22/291235022.db2.gz KBBCBSCAUUVOQW-CVEARBPZSA-N 2 2 277.412 0.425 20 0 CCADLP COC(=O)[C@@](C)(CCF)[NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000595911990 360702112 /nfs/dbraw/zinc/70/21/12/360702112.db2.gz XOPQRTSTOBPKLE-CMPLNLGQSA-N 2 2 274.336 0.388 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C[NH2+]C(C)C)C[C@H]1C ZINC000595958407 360734784 /nfs/dbraw/zinc/73/47/84/360734784.db2.gz ZVKPDWSKUVMGRJ-GFCCVEGCSA-N 2 2 285.388 0.080 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)C[NH2+]C(C)C)C[C@H]1C ZINC000595958407 360734790 /nfs/dbraw/zinc/73/47/90/360734790.db2.gz ZVKPDWSKUVMGRJ-GFCCVEGCSA-N 2 2 285.388 0.080 20 0 CCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000178889848 189152679 /nfs/dbraw/zinc/15/26/79/189152679.db2.gz MAWHBIPVYYZZCF-UKRRQHHQSA-N 2 2 288.395 0.896 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cccc2c1OCCO2 ZINC000178999089 189160686 /nfs/dbraw/zinc/16/06/86/189160686.db2.gz RWJJBOPJRKDEMP-OAHLLOKOSA-N 2 2 280.368 0.860 20 0 CCADLP COC(=O)Cc1cc[nH+]c(N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c1 ZINC000596168864 360819720 /nfs/dbraw/zinc/81/97/20/360819720.db2.gz YSRPUZWPTNILKU-WCQYABFASA-N 2 2 293.367 0.928 20 0 CCADLP COC(=O)Cc1cc[nH+]c(N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000596168864 360819724 /nfs/dbraw/zinc/81/97/24/360819724.db2.gz YSRPUZWPTNILKU-WCQYABFASA-N 2 2 293.367 0.928 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cccc2nccn21 ZINC000179430827 189194194 /nfs/dbraw/zinc/19/41/94/189194194.db2.gz QZLWXKDMVMOLJL-CQSZACIVSA-N 2 2 262.357 0.737 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563711626 291248275 /nfs/dbraw/zinc/24/82/75/291248275.db2.gz ANZCRGWWWNBVPD-ABAIWWIYSA-N 2 2 294.399 0.439 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563711626 291248277 /nfs/dbraw/zinc/24/82/77/291248277.db2.gz ANZCRGWWWNBVPD-ABAIWWIYSA-N 2 2 294.399 0.439 20 0 CCADLP COC(=O)c1cc(C[N@H+](C)CC2C[NH+](C)C2)cn1C ZINC000597208277 361031406 /nfs/dbraw/zinc/03/14/06/361031406.db2.gz YGMIVNNUJWLWFN-UHFFFAOYSA-N 2 2 265.357 0.805 20 0 CCADLP COC(=O)c1cc(C[N@@H+](C)CC2C[NH+](C)C2)cn1C ZINC000597208277 361031411 /nfs/dbraw/zinc/03/14/11/361031411.db2.gz YGMIVNNUJWLWFN-UHFFFAOYSA-N 2 2 265.357 0.805 20 0 CCADLP [NH3+]CC(F)(F)CNC(=O)NCCCCn1cc[nH+]c1 ZINC000563799147 291250932 /nfs/dbraw/zinc/25/09/32/291250932.db2.gz SRGPHPHFPIPADY-UHFFFAOYSA-N 2 2 275.303 0.557 20 0 CCADLP CNS(=O)(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000621259881 366686054 /nfs/dbraw/zinc/68/60/54/366686054.db2.gz KZTSACWNRHMOSQ-CYBMUJFWSA-N 2 2 289.445 0.343 20 0 CCADLP CNS(=O)(=O)CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000621259881 366686059 /nfs/dbraw/zinc/68/60/59/366686059.db2.gz KZTSACWNRHMOSQ-CYBMUJFWSA-N 2 2 289.445 0.343 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000563957306 291261008 /nfs/dbraw/zinc/26/10/08/291261008.db2.gz CKGVDRFJUGZBNX-OAHLLOKOSA-N 2 2 284.375 0.633 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000563957306 291261010 /nfs/dbraw/zinc/26/10/10/291261010.db2.gz CKGVDRFJUGZBNX-OAHLLOKOSA-N 2 2 284.375 0.633 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)Nc1ccccn1 ZINC000631827371 370692809 /nfs/dbraw/zinc/69/28/09/370692809.db2.gz NBQLZQBKYVXHRA-SUNKGSAMSA-N 2 2 262.357 0.996 20 0 CCADLP CC[N@H+](CCCn1cc[nH+]c1)[C@H]1CCS(=O)(=O)C1 ZINC000182871936 189337869 /nfs/dbraw/zinc/33/78/69/189337869.db2.gz BNAFRBPMQNNBNA-LBPRGKRZSA-N 2 2 271.386 0.782 20 0 CCADLP CC[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCS(=O)(=O)C1 ZINC000182871936 189337870 /nfs/dbraw/zinc/33/78/70/189337870.db2.gz BNAFRBPMQNNBNA-LBPRGKRZSA-N 2 2 271.386 0.782 20 0 CCADLP Cc1nc(N(C)C[C@H](O)C[NH+]2CCOCC2)c(C)c(C)[nH+]1 ZINC000301673992 201128062 /nfs/dbraw/zinc/12/80/62/201128062.db2.gz PJFBDWDDJAAOHC-AWEZNQCLSA-N 2 2 294.399 0.531 20 0 CCADLP C[C@H](CNC(=O)c1c[nH+]ccc1N(C)C)[NH+]1CCOCC1 ZINC000183506622 189360434 /nfs/dbraw/zinc/36/04/34/189360434.db2.gz DJNSIUXAGFHHPI-GFCCVEGCSA-N 2 2 292.383 0.598 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CC2(C)CC2)C[C@@H](C)O1 ZINC000564650560 291290775 /nfs/dbraw/zinc/29/07/75/291290775.db2.gz BMKMTEJUJXVLOJ-JHJVBQTASA-N 2 2 256.390 0.846 20 0 CCADLP O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CCn2c[nH+]cc2C1 ZINC000612988257 364073029 /nfs/dbraw/zinc/07/30/29/364073029.db2.gz PNOPGOUAEITWSZ-GFCCVEGCSA-N 2 2 275.356 0.550 20 0 CCADLP CC(C)COC[C@@H](O)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000564792674 291300283 /nfs/dbraw/zinc/30/02/83/291300283.db2.gz OYQGVSXMSVFSEL-RYUDHWBXSA-N 2 2 267.373 0.890 20 0 CCADLP CC(C)COC[C@@H](O)C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000564792674 291300285 /nfs/dbraw/zinc/30/02/85/291300285.db2.gz OYQGVSXMSVFSEL-RYUDHWBXSA-N 2 2 267.373 0.890 20 0 CCADLP O=C(N[C@@H]1CC12CC[NH2+]CC2)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000612982408 364067882 /nfs/dbraw/zinc/06/78/82/364067882.db2.gz JJHIMZIBUNHGKO-VXGBXAGGSA-N 2 2 289.383 0.639 20 0 CCADLP OCCC1(CCO)CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000640010464 376190075 /nfs/dbraw/zinc/19/00/75/376190075.db2.gz GYWLHPLAZPJUPN-UHFFFAOYSA-N 2 2 267.373 0.730 20 0 CCADLP C[C@H](CC(=O)N1CCC[C@](O)(C[NH+](C)C)C1)n1cc[nH+]c1 ZINC000614071117 364488862 /nfs/dbraw/zinc/48/88/62/364488862.db2.gz ODRDBHANLGMJMF-HIFRSBDPSA-N 2 2 294.399 0.749 20 0 CCADLP CCn1cc(CC[N@@H+]2CCO[C@@H]([C@@H](C)[NH3+])C2)cn1 ZINC000621775183 366862043 /nfs/dbraw/zinc/86/20/43/366862043.db2.gz IFSDNUADKRCRJM-DGCLKSJQSA-N 2 2 252.362 0.494 20 0 CCADLP CCn1cc(CC[N@H+]2CCO[C@@H]([C@@H](C)[NH3+])C2)cn1 ZINC000621775183 366862050 /nfs/dbraw/zinc/86/20/50/366862050.db2.gz IFSDNUADKRCRJM-DGCLKSJQSA-N 2 2 252.362 0.494 20 0 CCADLP CC(C)[C@H](NC(=O)COC1C[NH2+]C1)c1[nH]cc[nH+]1 ZINC000564937012 291320333 /nfs/dbraw/zinc/32/03/33/291320333.db2.gz SQWXJBUKZQLNCX-NSHDSACASA-N 2 2 252.318 0.211 20 0 CCADLP [NH3+]C[C@@H]1CN(C(=O)[C@H]([NH3+])c2c(F)cccc2F)CCCO1 ZINC000564952516 291324738 /nfs/dbraw/zinc/32/47/38/291324738.db2.gz BJWUGTXMWKFBSN-NOZJJQNGSA-N 2 2 299.321 0.541 20 0 CCADLP CN1C[C@H](C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)OC1=O ZINC000496439747 240070435 /nfs/dbraw/zinc/07/04/35/240070435.db2.gz YAVFIVLWSKESQG-CYBMUJFWSA-N 2 2 297.399 0.264 20 0 CCADLP C(C[NH+]1CCCCC1)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000564986045 291331348 /nfs/dbraw/zinc/33/13/48/291331348.db2.gz CYUNROOXHHNHFS-INIZCTEOSA-N 3 2 280.460 0.842 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000615850803 365110343 /nfs/dbraw/zinc/11/03/43/365110343.db2.gz SQMHDKZNIPEDEK-BYNQJWBRSA-N 2 2 274.368 0.686 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000615850803 365110347 /nfs/dbraw/zinc/11/03/47/365110347.db2.gz SQMHDKZNIPEDEK-BYNQJWBRSA-N 2 2 274.368 0.686 20 0 CCADLP C[C@H](CC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)n1cc[nH+]c1 ZINC000565151321 291347714 /nfs/dbraw/zinc/34/77/14/291347714.db2.gz LFJANYQQOFRNEU-KGLIPLIRSA-N 2 2 291.399 0.340 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000565164623 291349838 /nfs/dbraw/zinc/34/98/38/291349838.db2.gz NGUYYCDEPXDHJD-IHRRRGAJSA-N 2 2 272.389 0.179 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000565164623 291349839 /nfs/dbraw/zinc/34/98/39/291349839.db2.gz NGUYYCDEPXDHJD-IHRRRGAJSA-N 2 2 272.389 0.179 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000565164623 291349841 /nfs/dbraw/zinc/34/98/41/291349841.db2.gz NGUYYCDEPXDHJD-IHRRRGAJSA-N 2 2 272.389 0.179 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000565164623 291349842 /nfs/dbraw/zinc/34/98/42/291349842.db2.gz NGUYYCDEPXDHJD-IHRRRGAJSA-N 2 2 272.389 0.179 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000565159045 291348674 /nfs/dbraw/zinc/34/86/74/291348674.db2.gz VUIWJELKCSTAIW-GFCCVEGCSA-N 2 2 280.372 0.362 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000565159045 291348678 /nfs/dbraw/zinc/34/86/78/291348678.db2.gz VUIWJELKCSTAIW-GFCCVEGCSA-N 2 2 280.372 0.362 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1[C@@H](C)O ZINC000565162604 291350323 /nfs/dbraw/zinc/35/03/23/291350323.db2.gz JHGJOEUYHTUMBD-RDBSUJKOSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1[C@@H](C)O ZINC000565162604 291350326 /nfs/dbraw/zinc/35/03/26/291350326.db2.gz JHGJOEUYHTUMBD-RDBSUJKOSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1[C@@H](C)O ZINC000565162604 291350328 /nfs/dbraw/zinc/35/03/28/291350328.db2.gz JHGJOEUYHTUMBD-RDBSUJKOSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1[C@@H](C)O ZINC000565162604 291350329 /nfs/dbraw/zinc/35/03/29/291350329.db2.gz JHGJOEUYHTUMBD-RDBSUJKOSA-N 2 2 274.405 0.161 20 0 CCADLP Cc1ccc(NC(=O)C(=O)NCC[C@H](C)[NH3+])c(C)[nH+]1 ZINC000621833043 366880419 /nfs/dbraw/zinc/88/04/19/366880419.db2.gz XWVJCEGUEHFBTK-QMMMGPOBSA-N 2 2 264.329 0.490 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000616925897 365472315 /nfs/dbraw/zinc/47/23/15/365472315.db2.gz UZZCVGNBOPGRLB-NSHDSACASA-N 2 2 252.318 0.089 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000616925897 365472321 /nfs/dbraw/zinc/47/23/21/365472321.db2.gz UZZCVGNBOPGRLB-NSHDSACASA-N 2 2 252.318 0.089 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)CN1CC[NH+](CC)CC1 ZINC000565265355 291367904 /nfs/dbraw/zinc/36/79/04/291367904.db2.gz DOKNTVCQWQNNCT-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)CN1CC[NH+](CC)CC1 ZINC000565265355 291367905 /nfs/dbraw/zinc/36/79/05/291367905.db2.gz DOKNTVCQWQNNCT-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP Cc1nc(N)c(CNC(=O)C[C@H](C)n2cc[nH+]c2)c[nH+]1 ZINC000565310604 291371799 /nfs/dbraw/zinc/37/17/99/291371799.db2.gz ZZFTTXHCGFLGOI-VIFPVBQESA-N 2 2 274.328 0.662 20 0 CCADLP CN(C)[C@H](C(=O)NC[C@@H](C1CC1)[NH+](C)C)c1c[nH+]cn1C ZINC000622318042 367115512 /nfs/dbraw/zinc/11/55/12/367115512.db2.gz XWUBBWMCXXFNIS-JSGCOSHPSA-N 2 2 293.415 0.479 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC1([NH+](C)C)CC1 ZINC000622721175 367349020 /nfs/dbraw/zinc/34/90/20/367349020.db2.gz FYJZTMJTLWUTEY-UHFFFAOYSA-N 2 2 250.346 0.563 20 0 CCADLP C[NH+]1CCC(CC(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1 ZINC000623262117 367500823 /nfs/dbraw/zinc/50/08/23/367500823.db2.gz OQGAUYOTFLRMPT-LBPRGKRZSA-N 2 2 262.357 0.656 20 0 CCADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623262826 367502948 /nfs/dbraw/zinc/50/29/48/367502948.db2.gz RDAXHPGNISOMGC-LLVKDONJSA-N 2 2 285.351 0.700 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCc2cnc(N)nc2C1 ZINC000623292586 367516795 /nfs/dbraw/zinc/51/67/95/367516795.db2.gz UGLKVQASDWBPQZ-UHFFFAOYSA-N 2 2 272.356 0.614 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCc2cnc(N)nc2C1 ZINC000623292586 367516799 /nfs/dbraw/zinc/51/67/99/367516799.db2.gz UGLKVQASDWBPQZ-UHFFFAOYSA-N 2 2 272.356 0.614 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CCO1 ZINC000623618985 367605635 /nfs/dbraw/zinc/60/56/35/367605635.db2.gz NFXXWJRENMLQGU-AGIUHOORSA-N 2 2 269.389 0.483 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CCO1 ZINC000623618985 367605639 /nfs/dbraw/zinc/60/56/39/367605639.db2.gz NFXXWJRENMLQGU-AGIUHOORSA-N 2 2 269.389 0.483 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CCOCC1 ZINC000623618588 367605760 /nfs/dbraw/zinc/60/57/60/367605760.db2.gz WXTMLEOACTUENN-LBPRGKRZSA-N 2 2 255.362 0.095 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C1CCOCC1 ZINC000623618588 367605769 /nfs/dbraw/zinc/60/57/69/367605769.db2.gz WXTMLEOACTUENN-LBPRGKRZSA-N 2 2 255.362 0.095 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cnc2n1CCC2 ZINC000623619953 367606646 /nfs/dbraw/zinc/60/66/46/367606646.db2.gz BDCXOMWQUCVGFO-ZDUSSCGKSA-N 2 2 291.399 0.259 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cnc2n1CCC2 ZINC000623619953 367606651 /nfs/dbraw/zinc/60/66/51/367606651.db2.gz BDCXOMWQUCVGFO-ZDUSSCGKSA-N 2 2 291.399 0.259 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCSC1 ZINC000623619715 367606742 /nfs/dbraw/zinc/60/67/42/367606742.db2.gz TZBJIANKQLBISO-NEPJUHHUSA-N 2 2 271.430 0.811 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCSC1 ZINC000623619715 367606749 /nfs/dbraw/zinc/60/67/49/367606749.db2.gz TZBJIANKQLBISO-NEPJUHHUSA-N 2 2 271.430 0.811 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000623565309 367592305 /nfs/dbraw/zinc/59/23/05/367592305.db2.gz ISFFWEUUECJJBE-MELADBBJSA-N 2 2 296.415 0.243 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000623565309 367592311 /nfs/dbraw/zinc/59/23/11/367592311.db2.gz ISFFWEUUECJJBE-MELADBBJSA-N 2 2 296.415 0.243 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000623565309 367592314 /nfs/dbraw/zinc/59/23/14/367592314.db2.gz ISFFWEUUECJJBE-MELADBBJSA-N 2 2 296.415 0.243 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000623565309 367592319 /nfs/dbraw/zinc/59/23/19/367592319.db2.gz ISFFWEUUECJJBE-MELADBBJSA-N 2 2 296.415 0.243 20 0 CCADLP CC[C@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CO1 ZINC000623620412 367607921 /nfs/dbraw/zinc/60/79/21/367607921.db2.gz PDRZAGJEIZUUMO-AGIUHOORSA-N 2 2 269.389 0.483 20 0 CCADLP CC[C@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CO1 ZINC000623620412 367607929 /nfs/dbraw/zinc/60/79/29/367607929.db2.gz PDRZAGJEIZUUMO-AGIUHOORSA-N 2 2 269.389 0.483 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000623648527 367614854 /nfs/dbraw/zinc/61/48/54/367614854.db2.gz NRHBPYJYJSSXQW-CQSZACIVSA-N 2 2 294.399 0.665 20 0 CCADLP O[C@@H]1CCN(CC[NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000623758991 367646958 /nfs/dbraw/zinc/64/69/58/367646958.db2.gz VSDZJOMEBYCIFZ-CYBMUJFWSA-N 2 2 260.341 0.491 20 0 CCADLP CC[NH+]1CCC(CNC(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000623717754 367633194 /nfs/dbraw/zinc/63/31/94/367633194.db2.gz LLBBSPURBKDBRY-CQSZACIVSA-N 2 2 298.431 0.348 20 0 CCADLP CC[NH+]1CCC(CNC(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000623717754 367633196 /nfs/dbraw/zinc/63/31/96/367633196.db2.gz LLBBSPURBKDBRY-CQSZACIVSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000566351671 291396734 /nfs/dbraw/zinc/39/67/34/291396734.db2.gz WXWDCJWYBDJSET-HOTGVXAUSA-N 2 2 278.396 0.900 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000566351671 291396736 /nfs/dbraw/zinc/39/67/36/291396736.db2.gz WXWDCJWYBDJSET-HOTGVXAUSA-N 2 2 278.396 0.900 20 0 CCADLP CC[NH+]1CCC([NH2+][C@H](CO)c2ccnn2C)CC1 ZINC000624018635 367726804 /nfs/dbraw/zinc/72/68/04/367726804.db2.gz VRTFRBSHNYXIEL-GFCCVEGCSA-N 2 2 252.362 0.527 20 0 CCADLP CC(C)[NH+]1CCC([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000624084814 367748127 /nfs/dbraw/zinc/74/81/27/367748127.db2.gz PVULDYNCHXQGDD-HNNXBMFYSA-N 3 2 296.459 0.789 20 0 CCADLP CC(C)[NH+]1CCC([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000624084814 367748132 /nfs/dbraw/zinc/74/81/32/367748132.db2.gz PVULDYNCHXQGDD-HNNXBMFYSA-N 3 2 296.459 0.789 20 0 CCADLP C[C@H](CS(C)(=O)=O)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624122357 367759819 /nfs/dbraw/zinc/75/98/19/367759819.db2.gz OYNRGQHTIFLYTB-VXGBXAGGSA-N 2 2 262.419 0.741 20 0 CCADLP C[C@H](CS(C)(=O)=O)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624122357 367759823 /nfs/dbraw/zinc/75/98/23/367759823.db2.gz OYNRGQHTIFLYTB-VXGBXAGGSA-N 2 2 262.419 0.741 20 0 CCADLP CC[N@@H+]1CCN(S(=O)(=O)CC2([NH+](C)C)CC2)C[C@@H]1C ZINC000632140297 370886854 /nfs/dbraw/zinc/88/68/54/370886854.db2.gz FJPOBBHDFLJIPO-LBPRGKRZSA-N 2 2 289.445 0.436 20 0 CCADLP CC[N@H+]1CCN(S(=O)(=O)CC2([NH+](C)C)CC2)C[C@@H]1C ZINC000632140297 370886859 /nfs/dbraw/zinc/88/68/59/370886859.db2.gz FJPOBBHDFLJIPO-LBPRGKRZSA-N 2 2 289.445 0.436 20 0 CCADLP C[C@@H](CCn1cccn1)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624336652 367838076 /nfs/dbraw/zinc/83/80/76/367838076.db2.gz WDNLDXAOVPPSMG-STQMWFEESA-N 2 2 252.362 0.318 20 0 CCADLP C[C@@H](CCn1cccn1)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624336652 367838080 /nfs/dbraw/zinc/83/80/80/367838080.db2.gz WDNLDXAOVPPSMG-STQMWFEESA-N 2 2 252.362 0.318 20 0 CCADLP COc1ccc(C[C@H](C)[NH2+]CC[N@@H+]2CC[C@H](O)C2)cn1 ZINC000624338887 367840190 /nfs/dbraw/zinc/84/01/90/367840190.db2.gz GMJMVPINJXRYQF-JSGCOSHPSA-N 2 2 279.384 0.677 20 0 CCADLP COc1ccc(C[C@H](C)[NH2+]CC[N@H+]2CC[C@H](O)C2)cn1 ZINC000624338887 367840196 /nfs/dbraw/zinc/84/01/96/367840196.db2.gz GMJMVPINJXRYQF-JSGCOSHPSA-N 2 2 279.384 0.677 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNc1cc(NC2CC2)[nH+]cn1 ZINC000624622001 367934519 /nfs/dbraw/zinc/93/45/19/367934519.db2.gz NSOBHMNAAWMYTM-NSHDSACASA-N 2 2 263.345 0.793 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNc1cc(NC2CC2)[nH+]cn1 ZINC000624622001 367934525 /nfs/dbraw/zinc/93/45/25/367934525.db2.gz NSOBHMNAAWMYTM-NSHDSACASA-N 2 2 263.345 0.793 20 0 CCADLP Cc1nccnc1[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000275945812 193170298 /nfs/dbraw/zinc/17/02/98/193170298.db2.gz ZXBLDQCVSVWRNW-OLZOCXBDSA-N 2 2 264.373 0.892 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[NH+]1CCSCC1 ZINC000625518262 368231648 /nfs/dbraw/zinc/23/16/48/368231648.db2.gz HYCDFTHITHLLOT-UHFFFAOYSA-N 2 2 268.386 0.357 20 0 CCADLP C([C@H]1CCOC1)[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625546383 368239449 /nfs/dbraw/zinc/23/94/49/368239449.db2.gz PLLFIXGWUXXMRK-CYBMUJFWSA-N 2 2 254.374 0.820 20 0 CCADLP c1cn(CC[NH+]2CCN(Cc3cn[nH]c3)CC2)c[nH+]1 ZINC000625475247 368215891 /nfs/dbraw/zinc/21/58/91/368215891.db2.gz ZMQURMGGZMWJLV-UHFFFAOYSA-N 2 2 260.345 0.424 20 0 CCADLP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H]2COCC[N@H+]2C)c1 ZINC000625899257 368362059 /nfs/dbraw/zinc/36/20/59/368362059.db2.gz NWZHMMIOBVVTCB-AWEZNQCLSA-N 2 2 292.383 0.906 20 0 CCADLP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H]2COCC[N@@H+]2C)c1 ZINC000625899257 368362063 /nfs/dbraw/zinc/36/20/63/368362063.db2.gz NWZHMMIOBVVTCB-AWEZNQCLSA-N 2 2 292.383 0.906 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N(C)CC[NH+](C)C)CC2 ZINC000625969671 368379134 /nfs/dbraw/zinc/37/91/34/368379134.db2.gz OELLIRHHNGHGKE-GFCCVEGCSA-N 2 2 264.373 0.774 20 0 CCADLP Cn1c[nH+]cc1CCN1CC[NH+](CCCF)CC1 ZINC000626070567 368421194 /nfs/dbraw/zinc/42/11/94/368421194.db2.gz TYTJHHKMOWRWCI-UHFFFAOYSA-N 2 2 254.353 0.940 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1CNC(C)=O ZINC000626159993 368465976 /nfs/dbraw/zinc/46/59/76/368465976.db2.gz YJSOVFKKUOELBA-UONOGXRCSA-N 2 2 271.405 0.290 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1CNC(C)=O ZINC000626159993 368465979 /nfs/dbraw/zinc/46/59/79/368465979.db2.gz YJSOVFKKUOELBA-UONOGXRCSA-N 2 2 271.405 0.290 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@H]1CNC(C)=O ZINC000626159993 368465983 /nfs/dbraw/zinc/46/59/83/368465983.db2.gz YJSOVFKKUOELBA-UONOGXRCSA-N 2 2 271.405 0.290 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@H]1CNC(C)=O ZINC000626159993 368465986 /nfs/dbraw/zinc/46/59/86/368465986.db2.gz YJSOVFKKUOELBA-UONOGXRCSA-N 2 2 271.405 0.290 20 0 CCADLP COC[C@]1(C)C[N@H+](CCc2c[nH+]cn2C)CCO1 ZINC000626177157 368478001 /nfs/dbraw/zinc/47/80/01/368478001.db2.gz GXNLEHJUHOTXNF-ZDUSSCGKSA-N 2 2 253.346 0.700 20 0 CCADLP COC[C@]1(C)C[N@@H+](CCc2c[nH+]cn2C)CCO1 ZINC000626177157 368478009 /nfs/dbraw/zinc/47/80/09/368478009.db2.gz GXNLEHJUHOTXNF-ZDUSSCGKSA-N 2 2 253.346 0.700 20 0 CCADLP O=C([C@H]1CC[NH2+]1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000444179590 296123529 /nfs/dbraw/zinc/12/35/29/296123529.db2.gz ZOVKKQNVLFHEHZ-QWHCGFSZSA-N 2 2 267.373 0.062 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)NCc2[nH+]ccn2C)C[NH2+]1 ZINC000626969516 368702636 /nfs/dbraw/zinc/70/26/36/368702636.db2.gz XNEDGAQQBCFPKM-ZJUUUORDSA-N 2 2 251.334 0.360 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000627017089 368738713 /nfs/dbraw/zinc/73/87/13/368738713.db2.gz ZSSRDQFHDBNQEU-GRYCIOLGSA-N 2 2 277.372 0.638 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C[NH2+]1 ZINC000627017061 368738888 /nfs/dbraw/zinc/73/88/88/368738888.db2.gz ZBAUWYQYDKRRQY-IJLUTSLNSA-N 2 2 277.372 0.638 20 0 CCADLP Cc1cccc2[nH+]c(CCNC(=O)N[C@@H]3CC[NH2+]C3)cn21 ZINC000627108693 368801476 /nfs/dbraw/zinc/80/14/76/368801476.db2.gz MJIYRTKMZMRACP-GFCCVEGCSA-N 2 2 287.367 0.846 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)N(C)CC[NH+]2CCOCC2)C[NH2+]1 ZINC000627198825 368866853 /nfs/dbraw/zinc/86/68/53/368866853.db2.gz YDCRTXPZZFNVDP-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)NCCOCCC[NH3+] ZINC000627215711 368887334 /nfs/dbraw/zinc/88/73/34/368887334.db2.gz NHGUDKJMLAZOOB-UHFFFAOYSA-N 2 2 283.376 0.280 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627243968 368907662 /nfs/dbraw/zinc/90/76/62/368907662.db2.gz AXSGHGSXZGGADR-RWMBFGLXSA-N 2 2 284.404 0.099 20 0 CCADLP C[NH2+]CCOCCNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000627174705 368848200 /nfs/dbraw/zinc/84/82/00/368848200.db2.gz OMWJPTUNMXZXMG-UHFFFAOYSA-N 2 2 283.376 0.151 20 0 CCADLP C[NH2+]CCOCCNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000627178444 368850846 /nfs/dbraw/zinc/85/08/46/368850846.db2.gz RWPHAUUHUYXOPP-LBPRGKRZSA-N 2 2 295.387 0.882 20 0 CCADLP CCCN(C(=O)NC[C@@H]1COCC[N@@H+]1C)[C@H]1CC[NH2+]C1 ZINC000627183228 368851555 /nfs/dbraw/zinc/85/15/55/368851555.db2.gz IJVFIRWHBHYTHC-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP CCCN(C(=O)NC[C@@H]1COCC[N@H+]1C)[C@H]1CC[NH2+]C1 ZINC000627183228 368851558 /nfs/dbraw/zinc/85/15/58/368851558.db2.gz IJVFIRWHBHYTHC-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000627182562 368851749 /nfs/dbraw/zinc/85/17/49/368851749.db2.gz HAFRQMGPQUISTG-GUTXKFCHSA-N 2 2 296.415 0.087 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000627182562 368851754 /nfs/dbraw/zinc/85/17/54/368851754.db2.gz HAFRQMGPQUISTG-GUTXKFCHSA-N 2 2 296.415 0.087 20 0 CCADLP C[C@@H]([NH3+])C1CCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000627184402 368853423 /nfs/dbraw/zinc/85/34/23/368853423.db2.gz WZIWZBTUGIXNMQ-DGCLKSJQSA-N 2 2 284.404 0.086 20 0 CCADLP C[C@@H]([NH3+])C1CCN(C(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000627184402 368853428 /nfs/dbraw/zinc/85/34/28/368853428.db2.gz WZIWZBTUGIXNMQ-DGCLKSJQSA-N 2 2 284.404 0.086 20 0 CCADLP CC(C)(C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1)c1c[nH+]c[nH]1 ZINC000627265816 368933502 /nfs/dbraw/zinc/93/35/02/368933502.db2.gz OJLCSUAUAVHUSR-NWDGAFQWSA-N 2 2 292.383 0.355 20 0 CCADLP CC(C)(C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1)c1c[nH+]c[nH]1 ZINC000627265816 368933504 /nfs/dbraw/zinc/93/35/04/368933504.db2.gz OJLCSUAUAVHUSR-NWDGAFQWSA-N 2 2 292.383 0.355 20 0 CCADLP CC(C)(C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1)c1c[nH+]c[nH]1 ZINC000627265817 368933527 /nfs/dbraw/zinc/93/35/27/368933527.db2.gz OJLCSUAUAVHUSR-RYUDHWBXSA-N 2 2 292.383 0.355 20 0 CCADLP CC(C)(C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1)c1c[nH+]c[nH]1 ZINC000627265817 368933529 /nfs/dbraw/zinc/93/35/29/368933529.db2.gz OJLCSUAUAVHUSR-RYUDHWBXSA-N 2 2 292.383 0.355 20 0 CCADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[NH+](CCCF)CC1 ZINC000627960136 369148509 /nfs/dbraw/zinc/14/85/09/369148509.db2.gz PAYRHIGNBZFTRM-CYBMUJFWSA-N 2 2 294.374 0.949 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[NH+](CCCF)CC1 ZINC000627961417 369149060 /nfs/dbraw/zinc/14/90/60/369149060.db2.gz VHYYGAOUFPHPMF-UHFFFAOYSA-N 2 2 282.363 0.857 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](COC(F)F)C1 ZINC000574288070 335007432 /nfs/dbraw/zinc/00/74/32/335007432.db2.gz KHNJRODCCHCKTB-MNOVXSKESA-N 2 2 266.332 0.860 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](COC(F)F)C1 ZINC000574288070 335007433 /nfs/dbraw/zinc/00/74/33/335007433.db2.gz KHNJRODCCHCKTB-MNOVXSKESA-N 2 2 266.332 0.860 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000574288070 335007434 /nfs/dbraw/zinc/00/74/34/335007434.db2.gz KHNJRODCCHCKTB-MNOVXSKESA-N 2 2 266.332 0.860 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000574288070 335007435 /nfs/dbraw/zinc/00/74/35/335007435.db2.gz KHNJRODCCHCKTB-MNOVXSKESA-N 2 2 266.332 0.860 20 0 CCADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000567111506 291459406 /nfs/dbraw/zinc/45/94/06/291459406.db2.gz CFXDCKGGMVKWQA-QWHCGFSZSA-N 2 2 294.399 0.407 20 0 CCADLP Cc1c[nH]c(CN2CC[N@@H+](CC(C)(C)O)C[C@H]2C)[nH+]1 ZINC000628244067 369223266 /nfs/dbraw/zinc/22/32/66/369223266.db2.gz RIZLIYVYVXIOEN-GFCCVEGCSA-N 2 2 266.389 0.995 20 0 CCADLP Cc1c[nH]c(CN2CC[N@H+](CC(C)(C)O)C[C@H]2C)[nH+]1 ZINC000628244067 369223268 /nfs/dbraw/zinc/22/32/68/369223268.db2.gz RIZLIYVYVXIOEN-GFCCVEGCSA-N 2 2 266.389 0.995 20 0 CCADLP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000424174182 296137817 /nfs/dbraw/zinc/13/78/17/296137817.db2.gz REIOQPJAPZKHHZ-NXEZZACHSA-N 2 2 250.302 0.062 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000330828884 203286019 /nfs/dbraw/zinc/28/60/19/203286019.db2.gz TWYUUSOOEWJQRH-LLVKDONJSA-N 2 2 266.345 0.336 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N1CCn2cc[nH+]c2C1 ZINC000330829583 203286723 /nfs/dbraw/zinc/28/67/23/203286723.db2.gz GTDNVKGGWDDUCD-UHFFFAOYSA-N 2 2 286.401 0.370 20 0 CCADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000567246988 291469227 /nfs/dbraw/zinc/46/92/27/291469227.db2.gz FLDJLVYZRAHBQT-FICVDOATSA-N 2 2 297.362 0.889 20 0 CCADLP C[NH+](C)CC1(C(=O)NC[C@H]2COCC[N@@H+]2C)CCCCC1 ZINC000628915959 369454950 /nfs/dbraw/zinc/45/49/50/369454950.db2.gz VXLRAHFVXNKFPN-AWEZNQCLSA-N 2 2 297.443 0.945 20 0 CCADLP C[NH+](C)CC1(C(=O)NC[C@H]2COCC[N@H+]2C)CCCCC1 ZINC000628915959 369454954 /nfs/dbraw/zinc/45/49/54/369454954.db2.gz VXLRAHFVXNKFPN-AWEZNQCLSA-N 2 2 297.443 0.945 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@H]1COCC[N@@H+]1C)[NH+](C)C ZINC000628920317 369463319 /nfs/dbraw/zinc/46/33/19/369463319.db2.gz UYDMXZVQSMXNQT-NWDGAFQWSA-N 2 2 257.378 0.019 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@H]1COCC[N@H+]1C)[NH+](C)C ZINC000628920317 369463323 /nfs/dbraw/zinc/46/33/23/369463323.db2.gz UYDMXZVQSMXNQT-NWDGAFQWSA-N 2 2 257.378 0.019 20 0 CCADLP CC[NH+](CC)CC[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000567380068 291479642 /nfs/dbraw/zinc/47/96/42/291479642.db2.gz VMOBWFSWNOBOIF-UHFFFAOYSA-N 2 2 282.388 0.439 20 0 CCADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629562173 369710793 /nfs/dbraw/zinc/71/07/93/369710793.db2.gz MFPUFJAPCYSPHN-XHNCKOQMSA-N 2 2 267.295 0.709 20 0 CCADLP CC[C@H](C(N)=O)[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629562173 369710797 /nfs/dbraw/zinc/71/07/97/369710797.db2.gz MFPUFJAPCYSPHN-XHNCKOQMSA-N 2 2 267.295 0.709 20 0 CCADLP C[NH2+]CCOCC[N@H+](C)Cc1nc(-c2ccoc2)no1 ZINC000629571431 369715567 /nfs/dbraw/zinc/71/55/67/369715567.db2.gz LWMZEWTTXMJVRG-UHFFFAOYSA-N 2 2 280.328 0.997 20 0 CCADLP C[NH2+]CCOCC[N@@H+](C)Cc1nc(-c2ccoc2)no1 ZINC000629571431 369715572 /nfs/dbraw/zinc/71/55/72/369715572.db2.gz LWMZEWTTXMJVRG-UHFFFAOYSA-N 2 2 280.328 0.997 20 0 CCADLP O=S1(=O)CCCC[C@H]1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629575332 369718030 /nfs/dbraw/zinc/71/80/30/369718030.db2.gz RTDZTLYFBHKGJI-STQMWFEESA-N 2 2 290.429 0.000 20 0 CCADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000629512223 369687593 /nfs/dbraw/zinc/68/75/93/369687593.db2.gz CAAJBATWAMWKMK-RDBSUJKOSA-N 3 2 282.432 0.304 20 0 CCADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000629512223 369687597 /nfs/dbraw/zinc/68/75/97/369687597.db2.gz CAAJBATWAMWKMK-RDBSUJKOSA-N 3 2 282.432 0.304 20 0 CCADLP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000629512221 369687936 /nfs/dbraw/zinc/68/79/36/369687936.db2.gz CAAJBATWAMWKMK-MJBXVCDLSA-N 3 2 282.432 0.304 20 0 CCADLP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000629512221 369687942 /nfs/dbraw/zinc/68/79/42/369687942.db2.gz CAAJBATWAMWKMK-MJBXVCDLSA-N 3 2 282.432 0.304 20 0 CCADLP C[C@H]([NH2+]CCN1CC[C@@H](O)C1)c1c[nH+]ccc1N ZINC000629543731 369697326 /nfs/dbraw/zinc/69/73/26/369697326.db2.gz DITBPVQOMSFPTN-WDEREUQCSA-N 2 2 250.346 0.211 20 0 CCADLP C[C@H](NCC[N@@H+]1CC[C@@H](O)C1)c1c[nH+]ccc1N ZINC000629543731 369697329 /nfs/dbraw/zinc/69/73/29/369697329.db2.gz DITBPVQOMSFPTN-WDEREUQCSA-N 2 2 250.346 0.211 20 0 CCADLP C[C@H](NCC[N@H+]1CC[C@@H](O)C1)c1c[nH+]ccc1N ZINC000629543731 369697333 /nfs/dbraw/zinc/69/73/33/369697333.db2.gz DITBPVQOMSFPTN-WDEREUQCSA-N 2 2 250.346 0.211 20 0 CCADLP CN1CCC[C@H]1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000629551263 369701804 /nfs/dbraw/zinc/70/18/04/369701804.db2.gz SSIOWRSXIRSLIO-MJBXVCDLSA-N 2 2 253.390 0.437 20 0 CCADLP O[C@H]1CC[N@H+](CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000629555912 369705313 /nfs/dbraw/zinc/70/53/13/369705313.db2.gz ILTXKZQHDINWMU-SYQHCUMBSA-N 3 2 253.390 0.031 20 0 CCADLP O[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000629555912 369705321 /nfs/dbraw/zinc/70/53/21/369705321.db2.gz ILTXKZQHDINWMU-SYQHCUMBSA-N 3 2 253.390 0.031 20 0 CCADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCN1CC[C@H](O)C1 ZINC000629556820 369706174 /nfs/dbraw/zinc/70/61/74/369706174.db2.gz ZWTHRYZXFYZANK-KBMXLJTQSA-N 2 2 277.412 0.601 20 0 CCADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCN1CC[C@H](O)C1 ZINC000629556819 369706300 /nfs/dbraw/zinc/70/63/00/369706300.db2.gz ZWTHRYZXFYZANK-CWRNSKLLSA-N 2 2 277.412 0.601 20 0 CCADLP CCOc1cccc(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)n1 ZINC000629654197 369749210 /nfs/dbraw/zinc/74/92/10/369749210.db2.gz WRYHEWOPEZHOAP-UHFFFAOYSA-N 2 2 289.339 0.724 20 0 CCADLP CCn1cccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c1=O ZINC000629580074 369723527 /nfs/dbraw/zinc/72/35/27/369723527.db2.gz SPWBRBUWDPYDBQ-AWEZNQCLSA-N 2 2 279.384 0.415 20 0 CCADLP CN(C)c1cccnc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629579465 369723587 /nfs/dbraw/zinc/72/35/87/369723587.db2.gz DCGSEQDGZJMRIQ-CYBMUJFWSA-N 2 2 278.400 0.694 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592188 369732525 /nfs/dbraw/zinc/73/25/25/369732525.db2.gz CCVKTYJQPAOYAB-AEGPPILISA-N 2 2 283.416 0.459 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592188 369732530 /nfs/dbraw/zinc/73/25/30/369732530.db2.gz CCVKTYJQPAOYAB-AEGPPILISA-N 2 2 283.416 0.459 20 0 CCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CC(=O)N1CCCC1)C2 ZINC000629593155 369732802 /nfs/dbraw/zinc/73/28/02/369732802.db2.gz GJZNJDOLDLGTHI-OKILXGFUSA-N 2 2 251.374 0.540 20 0 CCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CC(=O)N1CCCC1)C2 ZINC000629593155 369732807 /nfs/dbraw/zinc/73/28/07/369732807.db2.gz GJZNJDOLDLGTHI-OKILXGFUSA-N 2 2 251.374 0.540 20 0 CCADLP CCOC[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000629601898 369736607 /nfs/dbraw/zinc/73/66/07/369736607.db2.gz OHAVVAYUSIMYHZ-KBPBESRZSA-N 2 2 256.390 0.990 20 0 CCADLP CCOC[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000629601898 369736611 /nfs/dbraw/zinc/73/66/11/369736611.db2.gz OHAVVAYUSIMYHZ-KBPBESRZSA-N 2 2 256.390 0.990 20 0 CCADLP C[NH2+]C1(CNC(=O)C(C)(C)c2c[nH]c[nH+]2)CCC1 ZINC000630004043 369887246 /nfs/dbraw/zinc/88/72/46/369887246.db2.gz KRDULPNGKCEQLE-UHFFFAOYSA-N 2 2 250.346 0.946 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](c2cc(=O)[nH]c(N)n2)C1 ZINC000630378376 370082466 /nfs/dbraw/zinc/08/24/66/370082466.db2.gz GUWNLSLZDFSVIE-SNVBAGLBSA-N 2 2 288.355 0.360 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](c2cc(=O)[nH]c(N)n2)C1 ZINC000630378376 370082471 /nfs/dbraw/zinc/08/24/71/370082471.db2.gz GUWNLSLZDFSVIE-SNVBAGLBSA-N 2 2 288.355 0.360 20 0 CCADLP C[C@H](O)[C@@H]1CCN(c2cc(NC3CC[NH2+]CC3)[nH+]cn2)C1 ZINC000630552885 370164936 /nfs/dbraw/zinc/16/49/36/370164936.db2.gz MKGPRDTWSGQBKK-NWDGAFQWSA-N 2 2 291.399 0.848 20 0 CCADLP C[C@H](O)[C@@H]1CCN(c2cc(NC3CC[NH2+]CC3)nc[nH+]2)C1 ZINC000630552885 370164943 /nfs/dbraw/zinc/16/49/43/370164943.db2.gz MKGPRDTWSGQBKK-NWDGAFQWSA-N 2 2 291.399 0.848 20 0 CCADLP CC[C@@H]1C[C@@H](C)C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000336507360 213382804 /nfs/dbraw/zinc/38/28/04/213382804.db2.gz ONYDPDQKCABLMO-CHWSQXEVSA-N 2 2 253.390 0.881 20 0 CCADLP CC[C@@H]1C[C@@H](C)C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000336507360 213382807 /nfs/dbraw/zinc/38/28/07/213382807.db2.gz ONYDPDQKCABLMO-CHWSQXEVSA-N 2 2 253.390 0.881 20 0 CCADLP CC(C)n1ncnc1C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000631064948 370373202 /nfs/dbraw/zinc/37/32/02/370373202.db2.gz VORURWHGGVEDBU-UHFFFAOYSA-N 2 2 294.403 0.113 20 0 CCADLP COc1cncc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1C ZINC000631111897 370386825 /nfs/dbraw/zinc/38/68/25/370386825.db2.gz LDPPGOIUSHJQMN-CQSZACIVSA-N 2 2 265.357 0.555 20 0 CCADLP COc1cncc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1C ZINC000631111897 370386828 /nfs/dbraw/zinc/38/68/28/370386828.db2.gz LDPPGOIUSHJQMN-CQSZACIVSA-N 2 2 265.357 0.555 20 0 CCADLP Cc1nc(N[C@H](C)C(C)(C)C[NH+](C)C)nc(N)[nH+]1 ZINC000631130373 370394665 /nfs/dbraw/zinc/39/46/65/370394665.db2.gz VWUYQDFSUZCTEQ-MRVPVSSYSA-N 2 2 252.366 0.403 20 0 CCADLP Cc1nc(N)nc(N[C@H](C)C(C)(C)C[NH+](C)C)[nH+]1 ZINC000631130373 370394668 /nfs/dbraw/zinc/39/46/68/370394668.db2.gz VWUYQDFSUZCTEQ-MRVPVSSYSA-N 2 2 252.366 0.403 20 0 CCADLP Cc1nc(NC2CC[NH+]([C@@H]3CCOC3)CC2)nc(N)[nH+]1 ZINC000631172493 370411245 /nfs/dbraw/zinc/41/12/45/370411245.db2.gz RHXHVBKLKHEYPN-LLVKDONJSA-N 2 2 278.360 0.258 20 0 CCADLP Cc1nc(N)nc(NC2CC[NH+]([C@@H]3CCOC3)CC2)[nH+]1 ZINC000631172493 370411246 /nfs/dbraw/zinc/41/12/46/370411246.db2.gz RHXHVBKLKHEYPN-LLVKDONJSA-N 2 2 278.360 0.258 20 0 CCADLP CCc1cc(N[C@@H](CO)C[NH+]2CCOCC2)nc(C)[nH+]1 ZINC000631306356 370465177 /nfs/dbraw/zinc/46/51/77/370465177.db2.gz FGHXAKRFBGKAAT-CYBMUJFWSA-N 2 2 280.372 0.452 20 0 CCADLP Cc1noc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000631325862 370474460 /nfs/dbraw/zinc/47/44/60/370474460.db2.gz AEMGTCCSGJRDKW-UHFFFAOYSA-N 2 2 295.387 0.476 20 0 CCADLP Cc1noc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000631325862 370474463 /nfs/dbraw/zinc/47/44/63/370474463.db2.gz AEMGTCCSGJRDKW-UHFFFAOYSA-N 2 2 295.387 0.476 20 0 CCADLP Cc1nc(N2CC[N@H+](C)[C@@H](C(C)C)C2)nc(N)[nH+]1 ZINC000631244904 370437048 /nfs/dbraw/zinc/43/70/48/370437048.db2.gz VNTQNLGVCZEWQV-SNVBAGLBSA-N 2 2 250.350 0.369 20 0 CCADLP Cc1nc(N2CC[N@@H+](C)[C@@H](C(C)C)C2)nc(N)[nH+]1 ZINC000631244904 370437053 /nfs/dbraw/zinc/43/70/53/370437053.db2.gz VNTQNLGVCZEWQV-SNVBAGLBSA-N 2 2 250.350 0.369 20 0 CCADLP Cc1nc(NC[C@H]2CCCC[N@H+]2C2CC2)nc(N)[nH+]1 ZINC000631249192 370437292 /nfs/dbraw/zinc/43/72/92/370437292.db2.gz OIQWWDBFHTVAKF-LLVKDONJSA-N 2 2 262.361 0.443 20 0 CCADLP CCC(C)(C)[NH+]1CCN(c2nc(C)[nH+]c(N)n2)CC1 ZINC000631345036 370485239 /nfs/dbraw/zinc/48/52/39/370485239.db2.gz CMHWMXWZUQVYHB-UHFFFAOYSA-N 2 2 264.377 0.903 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000633040755 371373893 /nfs/dbraw/zinc/37/38/93/371373893.db2.gz RRYIWPXSDNPRAG-LLVKDONJSA-N 2 2 281.360 0.272 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000633040755 371373900 /nfs/dbraw/zinc/37/39/00/371373900.db2.gz RRYIWPXSDNPRAG-LLVKDONJSA-N 2 2 281.360 0.272 20 0 CCADLP COC(=O)C(C)(C)[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000337341343 214017273 /nfs/dbraw/zinc/01/72/73/214017273.db2.gz UNMHBJGCKWRMEC-UHFFFAOYSA-N 2 2 285.432 0.944 20 0 CCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C(C)(C)O)c2)CC1 ZINC000634193334 371944186 /nfs/dbraw/zinc/94/41/86/371944186.db2.gz FYGCTZDJFRRWAV-UHFFFAOYSA-N 2 2 278.356 0.543 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2C2CCC2)[C@@H](C[NH3+])C1 ZINC000576593785 335223780 /nfs/dbraw/zinc/22/37/80/335223780.db2.gz ZVRVFIZMAGWKBV-RWMBFGLXSA-N 2 2 251.374 0.524 20 0 CCADLP CO[C@H]1CN(c2cc(-n3cc[nH+]c3)ncn2)[C@](C)(C[NH3+])C1 ZINC000634238406 371963222 /nfs/dbraw/zinc/96/32/22/371963222.db2.gz CVIZTFPHFQWVSN-RISCZKNCSA-N 2 2 288.355 0.605 20 0 CCADLP C[C@H]1CC[C@H](C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)O1 ZINC000634688002 372134116 /nfs/dbraw/zinc/13/41/16/372134116.db2.gz FFGCUACNUQFFES-UONOGXRCSA-N 2 2 296.415 0.197 20 0 CCADLP Cn1c[nH+]c(CC[NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)c1 ZINC000634716491 372160322 /nfs/dbraw/zinc/16/03/22/372160322.db2.gz VKEMNOKTDVTYIL-KBPBESRZSA-N 2 2 267.373 0.464 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC(COC)(C2CC2)C1 ZINC000634652551 372124941 /nfs/dbraw/zinc/12/49/41/372124941.db2.gz UDEWQTATZUJUBX-ZDUSSCGKSA-N 2 2 256.390 0.657 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC(COC)(C2CC2)C1 ZINC000634652551 372124946 /nfs/dbraw/zinc/12/49/46/372124946.db2.gz UDEWQTATZUJUBX-ZDUSSCGKSA-N 2 2 256.390 0.657 20 0 CCADLP O=C(N[C@]12CCC[C@@H]1C[NH2+]C2)c1ccc(-n2cc[nH+]c2)nn1 ZINC000634768602 372215422 /nfs/dbraw/zinc/21/54/22/372215422.db2.gz QFZRJYORXXEMJV-ABAIWWIYSA-N 2 2 298.350 0.534 20 0 CCADLP Cc1cc(N2CC[N@@H+](C)C[C@H]2CO)nc(C2CC2)[nH+]1 ZINC000634801850 372242745 /nfs/dbraw/zinc/24/27/45/372242745.db2.gz NUTSEOKUQNRGQT-LBPRGKRZSA-N 2 2 262.357 0.775 20 0 CCADLP Cc1cc(N2CC[N@H+](C)C[C@H]2CO)nc(C2CC2)[nH+]1 ZINC000634801850 372242748 /nfs/dbraw/zinc/24/27/48/372242748.db2.gz NUTSEOKUQNRGQT-LBPRGKRZSA-N 2 2 262.357 0.775 20 0 CCADLP c1nc(N2CCC[C@@]3(CC[NH2+]C3)C2)c2c([nH+]1)NCCO2 ZINC000634809298 372252521 /nfs/dbraw/zinc/25/25/21/372252521.db2.gz OYIAQOYDILPTAF-AWEZNQCLSA-N 2 2 275.356 0.861 20 0 CCADLP c1nc2c(c(N3CCC[C@@]4(CC[NH2+]C4)C3)[nH+]1)OCCN2 ZINC000634809298 372252526 /nfs/dbraw/zinc/25/25/26/372252526.db2.gz OYIAQOYDILPTAF-AWEZNQCLSA-N 2 2 275.356 0.861 20 0 CCADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H]2CCNC(=O)CC2)C1 ZINC000634952975 372308218 /nfs/dbraw/zinc/30/82/18/372308218.db2.gz NPMSZWIPOCIKIV-CHWSQXEVSA-N 2 2 253.390 0.977 20 0 CCADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H]2CCNC(=O)CC2)C1 ZINC000634952975 372308227 /nfs/dbraw/zinc/30/82/27/372308227.db2.gz NPMSZWIPOCIKIV-CHWSQXEVSA-N 2 2 253.390 0.977 20 0 CCADLP O=C1CC[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)CCN1 ZINC000634979589 372321689 /nfs/dbraw/zinc/32/16/89/372321689.db2.gz JDBRXRZTYQDDJP-NSHDSACASA-N 2 2 262.357 0.978 20 0 CCADLP CCC[C@H](CCO)[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000635006177 372340226 /nfs/dbraw/zinc/34/02/26/372340226.db2.gz XSIISIFJVNKULH-MGPQQGTHSA-N 2 2 256.390 0.894 20 0 CCADLP C[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)[C@H]1CCC[NH2+]1 ZINC000635022994 372351296 /nfs/dbraw/zinc/35/12/96/372351296.db2.gz QRHNSIILDBZXTA-YUTCNCBUSA-N 2 2 281.400 0.496 20 0 CCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+](C)C ZINC000635076699 372368541 /nfs/dbraw/zinc/36/85/41/372368541.db2.gz ZDZQBEOPUYAGIV-GFCCVEGCSA-N 2 2 262.357 0.680 20 0 CCADLP Cc1ccc(NC(=O)c2cn(CCC[NH3+])nn2)c(C)[nH+]1 ZINC000567972718 291541861 /nfs/dbraw/zinc/54/18/61/291541861.db2.gz JVDLVMDMGKCTDR-UHFFFAOYSA-N 2 2 274.328 0.891 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)[nH+]1 ZINC000635421967 372502140 /nfs/dbraw/zinc/50/21/40/372502140.db2.gz JEDFKQWRPFCNAM-LLVKDONJSA-N 2 2 262.357 0.868 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)[nH+]1 ZINC000635421967 372502149 /nfs/dbraw/zinc/50/21/49/372502149.db2.gz JEDFKQWRPFCNAM-LLVKDONJSA-N 2 2 262.357 0.868 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000635464666 372533720 /nfs/dbraw/zinc/53/37/20/372533720.db2.gz HZVAYLUSJBUQMI-ZDUSSCGKSA-N 2 2 294.399 0.843 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000635464666 372533728 /nfs/dbraw/zinc/53/37/28/372533728.db2.gz HZVAYLUSJBUQMI-ZDUSSCGKSA-N 2 2 294.399 0.843 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635518648 372581689 /nfs/dbraw/zinc/58/16/89/372581689.db2.gz XAPBQBXTQQGEQY-QJPTWQEYSA-N 2 2 278.356 0.038 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000635518648 372581693 /nfs/dbraw/zinc/58/16/93/372581693.db2.gz XAPBQBXTQQGEQY-QJPTWQEYSA-N 2 2 278.356 0.038 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000635527098 372590511 /nfs/dbraw/zinc/59/05/11/372590511.db2.gz FIFAHYQERDZEFE-GHMZBOCLSA-N 2 2 273.340 0.965 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635560069 372632470 /nfs/dbraw/zinc/63/24/70/372632470.db2.gz WPWSBVCERSIULH-GHMZBOCLSA-N 2 2 250.346 0.970 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635560069 372632474 /nfs/dbraw/zinc/63/24/74/372632474.db2.gz WPWSBVCERSIULH-GHMZBOCLSA-N 2 2 250.346 0.970 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635560069 372632478 /nfs/dbraw/zinc/63/24/78/372632478.db2.gz WPWSBVCERSIULH-GHMZBOCLSA-N 2 2 250.346 0.970 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635560069 372632481 /nfs/dbraw/zinc/63/24/81/372632481.db2.gz WPWSBVCERSIULH-GHMZBOCLSA-N 2 2 250.346 0.970 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000635638244 372711494 /nfs/dbraw/zinc/71/14/94/372711494.db2.gz OUKVMPWVCIXAGT-CYBMUJFWSA-N 2 2 271.405 0.506 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000497027302 284341140 /nfs/dbraw/zinc/34/11/40/284341140.db2.gz IYNVCPSTLXJXHN-OLZOCXBDSA-N 2 2 287.404 0.462 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000497027302 284341141 /nfs/dbraw/zinc/34/11/41/284341141.db2.gz IYNVCPSTLXJXHN-OLZOCXBDSA-N 2 2 287.404 0.462 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000497027302 284341142 /nfs/dbraw/zinc/34/11/42/284341142.db2.gz IYNVCPSTLXJXHN-OLZOCXBDSA-N 2 2 287.404 0.462 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000497027302 284341143 /nfs/dbraw/zinc/34/11/43/284341143.db2.gz IYNVCPSTLXJXHN-OLZOCXBDSA-N 2 2 287.404 0.462 20 0 CCADLP C[C@H]1CN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC[NH2+]1 ZINC000333137073 205060878 /nfs/dbraw/zinc/06/08/78/205060878.db2.gz CNLFBOBOQXSVHI-QWHCGFSZSA-N 2 2 289.383 0.664 20 0 CCADLP C[C@H](NC(=O)[C@H]1CC[N@@H+]1C1CCCC1)[C@@H]1C[NH+](C)CCO1 ZINC000635712810 372802014 /nfs/dbraw/zinc/80/20/14/372802014.db2.gz UREQARXFQCGQIM-CFVMTHIKSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@H](NC(=O)[C@H]1CC[N@H+]1C1CCCC1)[C@@H]1C[NH+](C)CCO1 ZINC000635712810 372802024 /nfs/dbraw/zinc/80/20/24/372802024.db2.gz UREQARXFQCGQIM-CFVMTHIKSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@H](NC(=O)[C@H]1CC[NH+]1C1CCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000635712810 372802033 /nfs/dbraw/zinc/80/20/33/372802033.db2.gz UREQARXFQCGQIM-CFVMTHIKSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@H](NC(=O)[C@H]1CC[NH+]1C1CCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000635712810 372802038 /nfs/dbraw/zinc/80/20/38/372802038.db2.gz UREQARXFQCGQIM-CFVMTHIKSA-N 2 2 295.427 0.839 20 0 CCADLP CC(C)N1C[C@H]([NH2+][C@H](C)C[C@H]2COCC[NH2+]2)CC1=O ZINC000333288304 205187519 /nfs/dbraw/zinc/18/75/19/205187519.db2.gz NYKBLSPGVFCSMQ-UPJWGTAASA-N 2 2 269.389 0.352 20 0 CCADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000635811869 372944842 /nfs/dbraw/zinc/94/48/42/372944842.db2.gz MXIHKOZXWOLUFM-GJZGRUSLSA-N 2 2 296.459 0.613 20 0 CCADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000635811869 372944849 /nfs/dbraw/zinc/94/48/49/372944849.db2.gz MXIHKOZXWOLUFM-GJZGRUSLSA-N 2 2 296.459 0.613 20 0 CCADLP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000635858391 373011588 /nfs/dbraw/zinc/01/15/88/373011588.db2.gz FHLATQXZVOSNLP-CYBMUJFWSA-N 2 2 281.400 0.309 20 0 CCADLP C[N@H+]1CC[C@H](CC(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000635858391 373011592 /nfs/dbraw/zinc/01/15/92/373011592.db2.gz FHLATQXZVOSNLP-CYBMUJFWSA-N 2 2 281.400 0.309 20 0 CCADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000333468182 205347185 /nfs/dbraw/zinc/34/71/85/205347185.db2.gz AECITWQJAFCVOF-QWHCGFSZSA-N 2 2 296.415 0.243 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)[nH+]1 ZINC000635900630 373074088 /nfs/dbraw/zinc/07/40/88/373074088.db2.gz OXKSSBOMEMIAME-ZDUSSCGKSA-N 2 2 291.399 0.021 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@H]2C[N@H+]3CCN2CCC3)[nH+]1 ZINC000635900630 373074093 /nfs/dbraw/zinc/07/40/93/373074093.db2.gz OXKSSBOMEMIAME-ZDUSSCGKSA-N 2 2 291.399 0.021 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635982919 373203901 /nfs/dbraw/zinc/20/39/01/373203901.db2.gz IRMQSJSFKSPJBV-NSHDSACASA-N 2 2 250.346 0.861 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635982919 373203902 /nfs/dbraw/zinc/20/39/02/373203902.db2.gz IRMQSJSFKSPJBV-NSHDSACASA-N 2 2 250.346 0.861 20 0 CCADLP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH+](C)C ZINC000636171640 373425753 /nfs/dbraw/zinc/42/57/53/373425753.db2.gz NUXZWFBEORHDOC-HBNTYKKESA-N 2 2 250.346 0.970 20 0 CCADLP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH+](C)C ZINC000636171640 373425764 /nfs/dbraw/zinc/42/57/64/373425764.db2.gz NUXZWFBEORHDOC-HBNTYKKESA-N 2 2 250.346 0.970 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C1(C[NH+](C)C)CC1 ZINC000636172004 373427842 /nfs/dbraw/zinc/42/78/42/373427842.db2.gz SGJHVWMWMZILDE-OLZOCXBDSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C1(C[NH+](C)C)CC1 ZINC000636172004 373427851 /nfs/dbraw/zinc/42/78/51/373427851.db2.gz SGJHVWMWMZILDE-OLZOCXBDSA-N 2 2 283.416 0.554 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCCN(C)C2=O)n1C ZINC000574447911 335020277 /nfs/dbraw/zinc/02/02/77/335020277.db2.gz QYACZXSLQAVHGD-NSHDSACASA-N 2 2 265.361 0.197 20 0 CCADLP C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)c1[nH+]ccn1C ZINC000636211370 373456725 /nfs/dbraw/zinc/45/67/25/373456725.db2.gz DGFLHPYNOWZVSE-QWRGUYRKSA-N 2 2 250.346 0.939 20 0 CCADLP C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)c1[nH+]ccn1C ZINC000636211370 373456731 /nfs/dbraw/zinc/45/67/31/373456731.db2.gz DGFLHPYNOWZVSE-QWRGUYRKSA-N 2 2 250.346 0.939 20 0 CCADLP C[C@H](CNC(=O)N[C@H]1Cc2c[nH+]cn2C1)C[NH+]1CCCC1 ZINC000636605057 373669333 /nfs/dbraw/zinc/66/93/33/373669333.db2.gz GCPSKLZIXRHSGS-OLZOCXBDSA-N 2 2 291.399 0.839 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000637196385 373997229 /nfs/dbraw/zinc/99/72/29/373997229.db2.gz AANBMLAATNWWFP-RYUDHWBXSA-N 2 2 295.387 0.330 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000637196385 373997234 /nfs/dbraw/zinc/99/72/34/373997234.db2.gz AANBMLAATNWWFP-RYUDHWBXSA-N 2 2 295.387 0.330 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637259418 374054972 /nfs/dbraw/zinc/05/49/72/374054972.db2.gz DJGZBVJAZNQBGL-NEPJUHHUSA-N 2 2 291.399 0.980 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637259418 374054976 /nfs/dbraw/zinc/05/49/76/374054976.db2.gz DJGZBVJAZNQBGL-NEPJUHHUSA-N 2 2 291.399 0.980 20 0 CCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000637441922 374160632 /nfs/dbraw/zinc/16/06/32/374160632.db2.gz CARPCXUFPINTGO-ZIAGYGMSSA-N 2 2 298.431 0.489 20 0 CCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000637441922 374160636 /nfs/dbraw/zinc/16/06/36/374160636.db2.gz CARPCXUFPINTGO-ZIAGYGMSSA-N 2 2 298.431 0.489 20 0 CCADLP C[NH+](C)CC1CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000637445318 374170136 /nfs/dbraw/zinc/17/01/36/374170136.db2.gz JDXQRIZXHKDKNE-AWEZNQCLSA-N 2 2 298.431 0.300 20 0 CCADLP C[NH+](C)CC1CCN(C(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000637445318 374170138 /nfs/dbraw/zinc/17/01/38/374170138.db2.gz JDXQRIZXHKDKNE-AWEZNQCLSA-N 2 2 298.431 0.300 20 0 CCADLP C[C@@H](CCNC(=O)NCCn1cc[nH+]c1)[NH+](C)C ZINC000656543899 412820779 /nfs/dbraw/zinc/82/07/79/412820779.db2.gz VFIDNGQUVPPSLR-NSHDSACASA-N 2 2 253.350 0.523 20 0 CCADLP C[C@@H](CCNC(=O)NCCCn1cc[nH+]c1)[NH+](C)C ZINC000656542459 412821289 /nfs/dbraw/zinc/82/12/89/412821289.db2.gz HHIOFXYYXBMJKX-LBPRGKRZSA-N 2 2 267.377 0.913 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CCC([NH2+]C)CC2)[nH+]1 ZINC000637841077 374390040 /nfs/dbraw/zinc/39/00/40/374390040.db2.gz RXQPSCOECSOWSC-UHFFFAOYSA-N 2 2 250.346 0.725 20 0 CCADLP C[N@@H+](Cc1cnc(N)nc1N)C[C@@H]1CCC[NH+](C)C1 ZINC000637929918 374483076 /nfs/dbraw/zinc/48/30/76/374483076.db2.gz JBBZCYIGZGCXNK-SNVBAGLBSA-N 2 2 264.377 0.075 20 0 CCADLP C[N@H+](Cc1cnc(N)nc1N)C[C@@H]1CCC[NH+](C)C1 ZINC000637929918 374483080 /nfs/dbraw/zinc/48/30/80/374483080.db2.gz JBBZCYIGZGCXNK-SNVBAGLBSA-N 2 2 264.377 0.075 20 0 CCADLP C[NH+](Cc1cnc(N)nc1N)C[C@@H]1CCC[N@H+](C)C1 ZINC000637929918 374483083 /nfs/dbraw/zinc/48/30/83/374483083.db2.gz JBBZCYIGZGCXNK-SNVBAGLBSA-N 2 2 264.377 0.075 20 0 CCADLP C[NH+](Cc1cnc(N)nc1N)C[C@@H]1CCC[N@@H+](C)C1 ZINC000637929918 374483088 /nfs/dbraw/zinc/48/30/88/374483088.db2.gz JBBZCYIGZGCXNK-SNVBAGLBSA-N 2 2 264.377 0.075 20 0 CCADLP CN(Cc1c[nH+]c(N)nc1N)C[C@@H]1CCC[N@H+](C)C1 ZINC000637929918 374483091 /nfs/dbraw/zinc/48/30/91/374483091.db2.gz JBBZCYIGZGCXNK-SNVBAGLBSA-N 2 2 264.377 0.075 20 0 CCADLP CN(Cc1c[nH+]c(N)nc1N)C[C@@H]1CCC[N@@H+](C)C1 ZINC000637929918 374483095 /nfs/dbraw/zinc/48/30/95/374483095.db2.gz JBBZCYIGZGCXNK-SNVBAGLBSA-N 2 2 264.377 0.075 20 0 CCADLP COc1cccc(C[C@H]([NH3+])C(=O)NCCn2cc[nH+]c2)c1 ZINC000638051847 374593602 /nfs/dbraw/zinc/59/36/02/374593602.db2.gz SUOUAXZJADCSIB-AWEZNQCLSA-N 2 2 288.351 0.578 20 0 CCADLP [NH3+][C@@H]1CCO[C@@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000638060073 374605386 /nfs/dbraw/zinc/60/53/86/374605386.db2.gz KGXNKSHNJCYNMW-OLZOCXBDSA-N 2 2 272.308 0.927 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)c2oc(C[NH3+])cc2C)CC1 ZINC000638057345 374601440 /nfs/dbraw/zinc/60/14/40/374601440.db2.gz BLANVMXVGRCZKH-UHFFFAOYSA-N 2 2 295.383 0.841 20 0 CCADLP [NH3+][C@@H]1CCO[C@@H]1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000638074537 374629535 /nfs/dbraw/zinc/62/95/35/374629535.db2.gz YHJQJMAENMRXKU-OLZOCXBDSA-N 2 2 272.308 0.927 20 0 CCADLP CO[C@H]1C[NH2+][C@](C)(C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000638071456 374621278 /nfs/dbraw/zinc/62/12/78/374621278.db2.gz DMIZFOLWHLDCHK-DOMZBBRYSA-N 2 2 292.383 0.767 20 0 CCADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000638071459 374621299 /nfs/dbraw/zinc/62/12/99/374621299.db2.gz DMIZFOLWHLDCHK-WFASDCNBSA-N 2 2 292.383 0.767 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638073170 374627364 /nfs/dbraw/zinc/62/73/64/374627364.db2.gz LXUWMRQFWBOJGU-DGCLKSJQSA-N 2 2 266.345 0.143 20 0 CCADLP CC(C)CC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000638099286 374663728 /nfs/dbraw/zinc/66/37/28/374663728.db2.gz SBHZVLSBGCTUAB-STQMWFEESA-N 2 2 271.405 0.587 20 0 CCADLP CC(C)CC[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000638099286 374663737 /nfs/dbraw/zinc/66/37/37/374663737.db2.gz SBHZVLSBGCTUAB-STQMWFEESA-N 2 2 271.405 0.587 20 0 CCADLP C[C@H]([C@H](C)NC(=O)C1=CC[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000638101712 374665692 /nfs/dbraw/zinc/66/56/92/374665692.db2.gz RDGQSUBCUCCKSD-DMDPSCGWSA-N 2 2 267.373 0.259 20 0 CCADLP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000568533958 291604358 /nfs/dbraw/zinc/60/43/58/291604358.db2.gz ZYVXJKLDCCNHFL-VXGBXAGGSA-N 2 2 250.346 0.733 20 0 CCADLP CC(C)C[C@H](C(=O)N1CCO[C@H](C[NH3+])C1)n1cc[nH+]c1 ZINC000638172505 374755771 /nfs/dbraw/zinc/75/57/71/374755771.db2.gz PDXBPGATUDDIEH-CHWSQXEVSA-N 2 2 280.372 0.656 20 0 CCADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnc(N)nc3N)CC[C@H]21 ZINC000638176516 374761982 /nfs/dbraw/zinc/76/19/82/374761982.db2.gz DZJNXARGPAVXAD-CMPLNLGQSA-N 2 2 276.388 0.218 20 0 CCADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnc(N)nc3N)CC[C@H]21 ZINC000638176516 374761987 /nfs/dbraw/zinc/76/19/87/374761987.db2.gz DZJNXARGPAVXAD-CMPLNLGQSA-N 2 2 276.388 0.218 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnc(N)nc3N)CC[C@H]21 ZINC000638176516 374761993 /nfs/dbraw/zinc/76/19/93/374761993.db2.gz DZJNXARGPAVXAD-CMPLNLGQSA-N 2 2 276.388 0.218 20 0 CCADLP C[N@@H+]1CCN(Cc2c[nH+]c(N)nc2N)C2(CCCCC2)C1 ZINC000638159347 374733854 /nfs/dbraw/zinc/73/38/54/374733854.db2.gz PUYUTNATSKBIJX-UHFFFAOYSA-N 2 2 290.415 0.752 20 0 CCADLP C[N@H+]1CCN(Cc2c[nH+]c(N)nc2N)C2(CCCCC2)C1 ZINC000638159347 374733863 /nfs/dbraw/zinc/73/38/63/374733863.db2.gz PUYUTNATSKBIJX-UHFFFAOYSA-N 2 2 290.415 0.752 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnc(N)nc3N)CC[C@H]21 ZINC000638176516 374761999 /nfs/dbraw/zinc/76/19/99/374761999.db2.gz DZJNXARGPAVXAD-CMPLNLGQSA-N 2 2 276.388 0.218 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[C@H]3CC[NH2+][C@H]3C1)CC2 ZINC000638200050 374782183 /nfs/dbraw/zinc/78/21/83/374782183.db2.gz XQBFUZFDZVBORB-MCIONIFRSA-N 2 2 288.395 0.964 20 0 CCADLP [NH3+]CC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(F)(F)F ZINC000638269546 374870518 /nfs/dbraw/zinc/87/05/18/374870518.db2.gz QPVHWLUAWPLKQY-BHNWBGBOSA-N 2 2 276.262 0.909 20 0 CCADLP [NH3+]CC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(F)(F)F ZINC000638269546 374870522 /nfs/dbraw/zinc/87/05/22/374870522.db2.gz QPVHWLUAWPLKQY-BHNWBGBOSA-N 2 2 276.262 0.909 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)[nH+]1 ZINC000638240967 374833826 /nfs/dbraw/zinc/83/38/26/374833826.db2.gz NXAZJMZYDVGMBL-CYBMUJFWSA-N 2 2 291.399 0.021 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)[nH+]1 ZINC000638248985 374844875 /nfs/dbraw/zinc/84/48/75/374844875.db2.gz WUOZDGHAXIXBOL-JQWIXIFHSA-N 2 2 262.357 0.725 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000638255177 374850831 /nfs/dbraw/zinc/85/08/31/374850831.db2.gz YOXYXRPIVODCSZ-CYBMUJFWSA-N 2 2 269.320 0.820 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000638328867 374928730 /nfs/dbraw/zinc/92/87/30/374928730.db2.gz LQKRQCKRHULZEW-AWEZNQCLSA-N 2 2 285.351 0.829 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000638342273 374942147 /nfs/dbraw/zinc/94/21/47/374942147.db2.gz PKVXEBOFHCTKEL-KOLCDFICSA-N 2 2 250.346 0.704 20 0 CCADLP C[C@H](C[NH2+]Cc1cnc(N)nc1N)C[NH+]1CCCC1 ZINC000638387138 374980907 /nfs/dbraw/zinc/98/09/07/374980907.db2.gz SXYTVELXBWGFPO-SNVBAGLBSA-N 2 2 264.377 0.123 20 0 CCADLP COc1ncc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)s1 ZINC000638439124 375040569 /nfs/dbraw/zinc/04/05/69/375040569.db2.gz BESYNKIZMVSWIK-UHFFFAOYSA-N 2 2 284.385 0.015 20 0 CCADLP CO[C@@H](C[NH2+]CC(=O)N1CC[NH+](C)CC1)CC(C)C ZINC000638440969 375042148 /nfs/dbraw/zinc/04/21/48/375042148.db2.gz YHFPQJNWHRSEBE-CYBMUJFWSA-N 2 2 271.405 0.411 20 0 CCADLP CCCC[NH+]1CCC([NH2+]Cc2cnc(N)nc2N)CC1 ZINC000638431411 375029734 /nfs/dbraw/zinc/02/97/34/375029734.db2.gz UFPFYLXGMZLMJJ-UHFFFAOYSA-N 2 2 278.404 0.656 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000638433066 375032981 /nfs/dbraw/zinc/03/29/81/375032981.db2.gz VSLGOTHLHYTKRE-ONGXEEELSA-N 2 2 250.346 0.478 20 0 CCADLP Cc1cn2ccc(C(=O)N3CCOC4(C[NH2+]C4)C3)cc2[nH+]1 ZINC000638440539 375042759 /nfs/dbraw/zinc/04/27/59/375042759.db2.gz SJGPTIPCYAKCNM-UHFFFAOYSA-N 2 2 286.335 0.457 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000638454093 375057670 /nfs/dbraw/zinc/05/76/70/375057670.db2.gz JVLIEWGQRLPZNO-NDBYEHHHSA-N 2 2 253.390 0.818 20 0 CCADLP CO[C@@]1(C[NH2+][C@H]2CC[N@H+](CC3CC3)C2)CCOC1 ZINC000638583278 375164276 /nfs/dbraw/zinc/16/42/76/375164276.db2.gz YSTURVCIGMPCCT-UONOGXRCSA-N 2 2 254.374 0.866 20 0 CCADLP CO[C@@]1(C[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)CCOC1 ZINC000638583278 375164282 /nfs/dbraw/zinc/16/42/82/375164282.db2.gz YSTURVCIGMPCCT-UONOGXRCSA-N 2 2 254.374 0.866 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638610653 375192643 /nfs/dbraw/zinc/19/26/43/375192643.db2.gz CWRISTZQURLUDK-LLVKDONJSA-N 2 2 266.345 0.111 20 0 CCADLP O=C(NC[C@@H]1COCC[NH2+]1)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000638612216 375194180 /nfs/dbraw/zinc/19/41/80/375194180.db2.gz NNPXVIGUGYERIE-CYBMUJFWSA-N 2 2 286.335 0.795 20 0 CCADLP CO[C@H](C[NH2+]C[C@H](C)C[NH+]1CCOCC1)[C@H]1CCOC1 ZINC000638675095 375278813 /nfs/dbraw/zinc/27/88/13/375278813.db2.gz RTTAMHDQCMRHPR-SOUVJXGZSA-N 2 2 286.416 0.596 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC000638807975 375381234 /nfs/dbraw/zinc/38/12/34/375381234.db2.gz RRIORFNRZFPEGY-GFCCVEGCSA-N 3 2 292.383 0.150 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC000638807976 375381248 /nfs/dbraw/zinc/38/12/48/375381248.db2.gz RRIORFNRZFPEGY-LBPRGKRZSA-N 3 2 292.383 0.150 20 0 CCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638927397 375463334 /nfs/dbraw/zinc/46/33/34/375463334.db2.gz UMQUVVOLFVOZDL-UTUOFQBUSA-N 2 2 260.341 0.408 20 0 CCADLP [NH3+][C@H]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000639032325 375535732 /nfs/dbraw/zinc/53/57/32/375535732.db2.gz RVTYZZAWUYQHFQ-IJLUTSLNSA-N 2 2 262.357 0.832 20 0 CCADLP Cc1ncc([C@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C)s1 ZINC000638971378 375488905 /nfs/dbraw/zinc/48/89/05/375488905.db2.gz AMZXNBRWCKYDLQ-WCBMZHEXSA-N 2 2 270.402 0.908 20 0 CCADLP [NH3+]C1(C(=O)NCc2cc[nH+]c(N3CCSCC3)c2)CC1 ZINC000638990835 375502895 /nfs/dbraw/zinc/50/28/95/375502895.db2.gz QZBCYSNXHYLLIO-UHFFFAOYSA-N 2 2 292.408 0.742 20 0 CCADLP [NH3+]C1(C(=O)N2CC[NH+](CCc3cnccn3)CC2)CCC1 ZINC000639005267 375514649 /nfs/dbraw/zinc/51/46/49/375514649.db2.gz VPTQUPSTXGFYIH-UHFFFAOYSA-N 2 2 289.383 0.045 20 0 CCADLP COc1cccc(C[C@H]([NH3+])C(=O)N(C)Cc2[nH]cc[nH+]2)c1 ZINC000639016593 375519629 /nfs/dbraw/zinc/51/96/29/375519629.db2.gz KZDXMSBHQFLLJG-ZDUSSCGKSA-N 2 2 288.351 0.947 20 0 CCADLP CC[N@H+](CCO)CC[NH2+][C@H](C)C[C@H]1CCCC(=O)N1 ZINC000639053539 375550002 /nfs/dbraw/zinc/55/00/02/375550002.db2.gz JHCGLBRWIJTYDK-CHWSQXEVSA-N 2 2 271.405 0.338 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+][C@H](C)C[C@H]1CCCC(=O)N1 ZINC000639053539 375550007 /nfs/dbraw/zinc/55/00/07/375550007.db2.gz JHCGLBRWIJTYDK-CHWSQXEVSA-N 2 2 271.405 0.338 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cnc(N)nc1N ZINC000639179394 375621064 /nfs/dbraw/zinc/62/10/64/375621064.db2.gz SPTACUMTRHQMOG-KOLCDFICSA-N 2 2 264.377 0.074 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cnc(N)nc1N ZINC000639179394 375621071 /nfs/dbraw/zinc/62/10/71/375621071.db2.gz SPTACUMTRHQMOG-KOLCDFICSA-N 2 2 264.377 0.074 20 0 CCADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cnc(N)nc1N ZINC000639179394 375621078 /nfs/dbraw/zinc/62/10/78/375621078.db2.gz SPTACUMTRHQMOG-KOLCDFICSA-N 2 2 264.377 0.074 20 0 CCADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cnc(N)nc1N ZINC000639179394 375621084 /nfs/dbraw/zinc/62/10/84/375621084.db2.gz SPTACUMTRHQMOG-KOLCDFICSA-N 2 2 264.377 0.074 20 0 CCADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]CCC[C@H]1CCO1 ZINC000639217237 375637515 /nfs/dbraw/zinc/63/75/15/375637515.db2.gz CMJGKGCKPWBOBI-KBPBESRZSA-N 2 2 256.390 0.992 20 0 CCADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]CCC[C@H]1CCO1 ZINC000639217237 375637526 /nfs/dbraw/zinc/63/75/26/375637526.db2.gz CMJGKGCKPWBOBI-KBPBESRZSA-N 2 2 256.390 0.992 20 0 CCADLP CO[C@]1(C[NH2+]C[C@H]2CCC[N@@H+]2CCCO)CCOC1 ZINC000639219022 375642339 /nfs/dbraw/zinc/64/23/39/375642339.db2.gz RGUAQRYODYQTEL-KGLIPLIRSA-N 2 2 272.389 0.228 20 0 CCADLP CO[C@]1(C[NH2+]C[C@H]2CCC[N@H+]2CCCO)CCOC1 ZINC000639219022 375642345 /nfs/dbraw/zinc/64/23/45/375642345.db2.gz RGUAQRYODYQTEL-KGLIPLIRSA-N 2 2 272.389 0.228 20 0 CCADLP Cc1ccc2[nH+]c(CN3CC[N@@H+](C)C[C@H]3CO)cn2c1 ZINC000639333616 375732940 /nfs/dbraw/zinc/73/29/40/375732940.db2.gz KOGKMVNOHWLWEV-AWEZNQCLSA-N 2 2 274.368 0.751 20 0 CCADLP Cc1ccc2[nH+]c(CN3CC[N@H+](C)C[C@H]3CO)cn2c1 ZINC000639333616 375732946 /nfs/dbraw/zinc/73/29/46/375732946.db2.gz KOGKMVNOHWLWEV-AWEZNQCLSA-N 2 2 274.368 0.751 20 0 CCADLP CCC[N@H+](C)CC(C)(C)NCc1c[nH+]c(N)nc1N ZINC000639327265 375727625 /nfs/dbraw/zinc/72/76/25/375727625.db2.gz NGVSLCGJYRWVGF-UHFFFAOYSA-N 2 2 266.393 0.512 20 0 CCADLP CCC[N@@H+](C)CC(C)(C)NCc1c[nH+]c(N)nc1N ZINC000639327265 375727631 /nfs/dbraw/zinc/72/76/31/375727631.db2.gz NGVSLCGJYRWVGF-UHFFFAOYSA-N 2 2 266.393 0.512 20 0 CCADLP Cc1[nH+]cc(C[NH+]2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)n1C ZINC000639365481 375761608 /nfs/dbraw/zinc/76/16/08/375761608.db2.gz OZYJYHXRPQFYFP-ZIAGYGMSSA-N 2 2 276.340 0.213 20 0 CCADLP CCC(=O)N1CCC[N@H+](CCc2c[nH+]cn2C)CC1 ZINC000639457399 375790693 /nfs/dbraw/zinc/79/06/93/375790693.db2.gz FHEZYGMCQBVYMW-UHFFFAOYSA-N 2 2 264.373 0.907 20 0 CCADLP CCC(=O)N1CCC[N@@H+](CCc2c[nH+]cn2C)CC1 ZINC000639457399 375790699 /nfs/dbraw/zinc/79/06/99/375790699.db2.gz FHEZYGMCQBVYMW-UHFFFAOYSA-N 2 2 264.373 0.907 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCC(OCCO)CC1 ZINC000639546504 375830787 /nfs/dbraw/zinc/83/07/87/375830787.db2.gz AUBKCVOGDDISDY-UHFFFAOYSA-N 2 2 253.346 0.436 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC000639614128 375860234 /nfs/dbraw/zinc/86/02/34/375860234.db2.gz JQXBXHWGKOHVLT-UHFFFAOYSA-N 2 2 276.384 0.907 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@@H]1CNC[C@H](O)C[NH+]1CCOCC1 ZINC000656701841 412843065 /nfs/dbraw/zinc/84/30/65/412843065.db2.gz DLKXAGZJZAFHQH-KGLIPLIRSA-N 2 2 285.432 0.142 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@@H]1CNC[C@H](O)C[NH+]1CCOCC1 ZINC000656701841 412843067 /nfs/dbraw/zinc/84/30/67/412843067.db2.gz DLKXAGZJZAFHQH-KGLIPLIRSA-N 2 2 285.432 0.142 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000639728506 375955446 /nfs/dbraw/zinc/95/54/46/375955446.db2.gz HNADMPNBQKDBPU-ZDUSSCGKSA-N 2 2 278.404 0.801 20 0 CCADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000639728506 375955447 /nfs/dbraw/zinc/95/54/47/375955447.db2.gz HNADMPNBQKDBPU-ZDUSSCGKSA-N 2 2 278.404 0.801 20 0 CCADLP Cn1ncnc1C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682018 375913288 /nfs/dbraw/zinc/91/32/88/375913288.db2.gz DVKPUBIJXVMPPQ-UHFFFAOYSA-N 2 2 272.356 0.922 20 0 CCADLP Cn1ncnc1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682018 375913293 /nfs/dbraw/zinc/91/32/93/375913293.db2.gz DVKPUBIJXVMPPQ-UHFFFAOYSA-N 2 2 272.356 0.922 20 0 CCADLP CC1CCN(C(=O)C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)CC1 ZINC000639764050 375992852 /nfs/dbraw/zinc/99/28/52/375992852.db2.gz FZRNRYAMIMKFSZ-INIZCTEOSA-N 2 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CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+]([C@H]2CCN(C3CCC3)C2=O)C1 ZINC000639760838 375986146 /nfs/dbraw/zinc/98/61/46/375986146.db2.gz BGUKNHMKQTUNDP-GOEBONIOSA-N 2 2 295.427 0.528 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639763682 375990567 /nfs/dbraw/zinc/99/05/67/375990567.db2.gz RXFHQEMFKDKJLY-CQSZACIVSA-N 3 2 266.389 0.351 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639763682 375990575 /nfs/dbraw/zinc/99/05/75/375990575.db2.gz RXFHQEMFKDKJLY-CQSZACIVSA-N 3 2 266.389 0.351 20 0 CCADLP Cn1cncc1CC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639763682 375990585 /nfs/dbraw/zinc/99/05/85/375990585.db2.gz RXFHQEMFKDKJLY-CQSZACIVSA-N 2 2 266.389 0.351 20 0 CCADLP Cn1cncc1CC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639763682 375990592 /nfs/dbraw/zinc/99/05/92/375990592.db2.gz RXFHQEMFKDKJLY-CQSZACIVSA-N 2 2 266.389 0.351 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCn2cc(Cl)cn2)C1 ZINC000639763529 375990767 /nfs/dbraw/zinc/99/07/67/375990767.db2.gz 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376167214 /nfs/dbraw/zinc/16/72/14/376167214.db2.gz SEOZAUQMIRRRDX-AWEZNQCLSA-N 2 2 292.431 0.730 20 0 CCADLP CO[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)[C@@](C)(CO)C1 ZINC000640003311 376181335 /nfs/dbraw/zinc/18/13/35/376181335.db2.gz HYJGVHXIHSXZCE-UONOGXRCSA-N 2 2 267.373 0.824 20 0 CCADLP CO[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)[C@@](C)(CO)C1 ZINC000640003311 376181340 /nfs/dbraw/zinc/18/13/40/376181340.db2.gz HYJGVHXIHSXZCE-UONOGXRCSA-N 2 2 267.373 0.824 20 0 CCADLP CC(C)CC[C@@H](O)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051288 376216155 /nfs/dbraw/zinc/21/61/55/376216155.db2.gz MPOYVWZJWUPPRN-CQSZACIVSA-N 2 2 285.432 0.489 20 0 CCADLP CC(C)CC[C@@H](O)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051288 376216162 /nfs/dbraw/zinc/21/61/62/376216162.db2.gz MPOYVWZJWUPPRN-CQSZACIVSA-N 2 2 285.432 0.489 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)C(C)(C)C ZINC000640051779 376218982 /nfs/dbraw/zinc/21/89/82/376218982.db2.gz ZPBIMTWPTBHEHM-LBPRGKRZSA-N 2 2 271.405 0.099 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)C(C)(C)C ZINC000640051779 376218986 /nfs/dbraw/zinc/21/89/86/376218986.db2.gz ZPBIMTWPTBHEHM-LBPRGKRZSA-N 2 2 271.405 0.099 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)C(=O)NCCCNc1cccc[nH+]1 ZINC000262532324 190056889 /nfs/dbraw/zinc/05/68/89/190056889.db2.gz OGPQTHLOOCCSLX-WDEREUQCSA-N 2 2 250.346 0.983 20 0 CCADLP O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000640320347 376308584 /nfs/dbraw/zinc/30/85/84/376308584.db2.gz PLVTVXZTKFPLJM-QWHCGFSZSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@H](CO)C[NH+]1CCCCC1 ZINC000640290274 376299599 /nfs/dbraw/zinc/29/95/99/376299599.db2.gz MAYZPJZMZCWNDZ-LBPRGKRZSA-N 2 2 280.372 0.305 20 0 CCADLP COc1cc[nH+]c(Cn2cc(COCC[NH3+])nn2)c1OC ZINC000640942091 376631388 /nfs/dbraw/zinc/63/13/88/376631388.db2.gz MIWHVBINCHLXSQ-UHFFFAOYSA-N 2 2 293.327 0.214 20 0 CCADLP C[C@@H]([NH3+])CNC(=O)NCCCCNc1cccc[nH+]1 ZINC000641425402 377103959 /nfs/dbraw/zinc/10/39/59/377103959.db2.gz PIQSGDJIJYRDJQ-LLVKDONJSA-N 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O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C[NH+]1CCCC1 ZINC000422967214 249012025 /nfs/dbraw/zinc/01/20/25/249012025.db2.gz BQUKSZIEBLRTON-QKPAOTATSA-N 3 2 281.444 0.953 20 0 CCADLP O=C([C@H]1COCC[NH2+]1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000430680212 249022643 /nfs/dbraw/zinc/02/26/43/249022643.db2.gz XWMRLBGLVWVUML-WDEREUQCSA-N 2 2 264.329 0.104 20 0 CCADLP CC[C@@](COC)([NH2+]CCn1cc[nH+]c1C)C(=O)OC ZINC000459554683 249042554 /nfs/dbraw/zinc/04/25/54/249042554.db2.gz GCGBHRNBOAUJDP-ZDUSSCGKSA-N 2 2 269.345 0.749 20 0 CCADLP CC(C)(C[NH+]1CCCC1)NC(=O)Cn1cc[nH+]c1 ZINC000515040692 249117494 /nfs/dbraw/zinc/11/74/94/249117494.db2.gz MDQWLOCJDKTWSE-UHFFFAOYSA-N 2 2 250.346 0.874 20 0 CCADLP C[C@H]([NH2+]Cc1cc(=O)n2ccccc2n1)[C@@H]1CCC[NH2+]1 ZINC000515063584 249119213 /nfs/dbraw/zinc/11/92/13/249119213.db2.gz ALPYCTLRTKANMJ-AAEUAGOBSA-N 2 2 272.352 0.925 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000514869986 249110157 /nfs/dbraw/zinc/11/01/57/249110157.db2.gz FUPXWCUVTZSDPD-AWEZNQCLSA-N 2 2 298.431 0.179 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000514869986 249110160 /nfs/dbraw/zinc/11/01/60/249110160.db2.gz FUPXWCUVTZSDPD-AWEZNQCLSA-N 2 2 298.431 0.179 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]Cc2ccn(C)c2)C[C@@H](C)O1 ZINC000515467225 249135610 /nfs/dbraw/zinc/13/56/10/249135610.db2.gz UBZMGNZRYPLLOT-NFAWXSAZSA-N 2 2 281.400 0.585 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]Cc2ccn(C)c2)C[C@H](C)O1 ZINC000515467224 249135628 /nfs/dbraw/zinc/13/56/28/249135628.db2.gz UBZMGNZRYPLLOT-GUTXKFCHSA-N 2 2 281.400 0.585 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]Cc2ccn(C)c2)C[C@H](C)O1 ZINC000515467224 249135629 /nfs/dbraw/zinc/13/56/29/249135629.db2.gz UBZMGNZRYPLLOT-GUTXKFCHSA-N 2 2 281.400 0.585 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCc2cccc(O)c2)[C@@H](C[NH3+])C1 ZINC000517019297 249198492 /nfs/dbraw/zinc/19/84/92/249198492.db2.gz OZQHTBPEIUETEL-ZDUSSCGKSA-N 2 2 292.383 0.219 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCc2cccc(O)c2)[C@@H](C[NH3+])C1 ZINC000517019297 249198495 /nfs/dbraw/zinc/19/84/95/249198495.db2.gz OZQHTBPEIUETEL-ZDUSSCGKSA-N 2 2 292.383 0.219 20 0 CCADLP CCn1cc([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)CCOC)cn1 ZINC000517244081 249211045 /nfs/dbraw/zinc/21/10/45/249211045.db2.gz BRYMWVMOKOVKCX-GXTWGEPZSA-N 2 2 284.404 0.493 20 0 CCADLP CCn1cc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)CCOC)cn1 ZINC000517244081 249211047 /nfs/dbraw/zinc/21/10/47/249211047.db2.gz BRYMWVMOKOVKCX-GXTWGEPZSA-N 2 2 284.404 0.493 20 0 CCADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C[C@H](O)C[NH3+] ZINC000517377909 249217125 /nfs/dbraw/zinc/21/71/25/249217125.db2.gz XTLSXDGFAZBYBW-CQSZACIVSA-N 2 2 274.368 0.683 20 0 CCADLP C[C@H]1CN(c2cc(N3CCOCC3)[nH+]cn2)[C@@H](C)C[NH2+]1 ZINC000643023088 377692409 /nfs/dbraw/zinc/69/24/09/377692409.db2.gz NIQKLNYMHCHBIB-RYUDHWBXSA-N 2 2 277.372 0.500 20 0 CCADLP C[C@@]1(F)C[NH2+]CCN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000643045638 377705271 /nfs/dbraw/zinc/70/52/71/377705271.db2.gz SQTAKELYLWFCCG-CYBMUJFWSA-N 2 2 276.319 0.800 20 0 CCADLP c1nc(NC[C@@H]2CCCC[NH2+]2)cc(N2CCOCC2)[nH+]1 ZINC000642996347 377682453 /nfs/dbraw/zinc/68/24/53/377682453.db2.gz WDPKHGQYOBIDTL-LBPRGKRZSA-N 2 2 277.372 0.867 20 0 CCADLP O=C(NCc1c[nH+]c[nH]1)c1cc(C[NH+]2CCCC2)on1 ZINC000643214497 377734220 /nfs/dbraw/zinc/73/42/20/377734220.db2.gz XTTDUUDKLOZXRO-UHFFFAOYSA-N 2 2 275.312 0.924 20 0 CCADLP O=C(NCc1c[nH]c[nH+]1)c1cc(C[NH+]2CCCC2)on1 ZINC000643214497 377734226 /nfs/dbraw/zinc/73/42/26/377734226.db2.gz XTTDUUDKLOZXRO-UHFFFAOYSA-N 2 2 275.312 0.924 20 0 CCADLP C(C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)OC[C@@H]1CCCO1 ZINC000643066871 377711068 /nfs/dbraw/zinc/71/10/68/377711068.db2.gz UQJHDPDTNCBDAZ-MELADBBJSA-N 2 2 254.374 0.866 20 0 CCADLP C(C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1)OC[C@@H]1CCCO1 ZINC000643066871 377711075 /nfs/dbraw/zinc/71/10/75/377711075.db2.gz UQJHDPDTNCBDAZ-MELADBBJSA-N 2 2 254.374 0.866 20 0 CCADLP O=C(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)NC1CCCC1 ZINC000574703308 335041590 /nfs/dbraw/zinc/04/15/90/335041590.db2.gz GMYHJSGLGJDLDM-UHFFFAOYSA-N 2 2 277.372 0.591 20 0 CCADLP CCNC(=O)CN1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000127276638 284736350 /nfs/dbraw/zinc/73/63/50/284736350.db2.gz BZVNHLIGCLFFBV-UHFFFAOYSA-N 2 2 293.415 0.335 20 0 CCADLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC000278736970 194130738 /nfs/dbraw/zinc/13/07/38/194130738.db2.gz WFEJEZLJGSBPAP-UHFFFAOYSA-N 2 2 292.339 0.428 20 0 CCADLP C=Cn1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cn1 ZINC000278915888 194210273 /nfs/dbraw/zinc/21/02/73/194210273.db2.gz TYPAWBIEPNPYEX-CYBMUJFWSA-N 2 2 250.346 0.530 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCOC(C)(C)C2)[C@H](C[NH3+])C1 ZINC000574742065 335043874 /nfs/dbraw/zinc/04/38/74/335043874.db2.gz PIGZUKVUSBVSCI-NWDGAFQWSA-N 2 2 284.404 0.228 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@H]2CCOC(C)(C)C2)[C@H](C[NH3+])C1 ZINC000574742065 335043875 /nfs/dbraw/zinc/04/38/75/335043875.db2.gz PIGZUKVUSBVSCI-NWDGAFQWSA-N 2 2 284.404 0.228 20 0 CCADLP CC(=O)NC1CCC([NH2+]C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000133023290 284828353 /nfs/dbraw/zinc/82/83/53/284828353.db2.gz HKYZNRJVEIDQBX-IUDNXUCKSA-N 2 2 297.443 0.992 20 0 CCADLP O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000571083215 291790768 /nfs/dbraw/zinc/79/07/68/291790768.db2.gz JHZMSHCVQDUKBV-HBNTYKKESA-N 2 2 273.327 0.488 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657352782 412968087 /nfs/dbraw/zinc/96/80/87/412968087.db2.gz BNHZQSBZFNNEHG-GFCCVEGCSA-N 2 2 295.435 0.154 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000495054373 285030485 /nfs/dbraw/zinc/03/04/85/285030485.db2.gz TZZUFBSWKRCXMB-OLZOCXBDSA-N 2 2 283.416 0.744 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000495054373 285030486 /nfs/dbraw/zinc/03/04/86/285030486.db2.gz TZZUFBSWKRCXMB-OLZOCXBDSA-N 2 2 283.416 0.744 20 0 CCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000335285504 208101556 /nfs/dbraw/zinc/10/15/56/208101556.db2.gz YLCOMYPDVQZYIJ-YUMQZZPRSA-N 2 2 283.269 0.345 20 0 CCADLP O[C@]1(C[NH2+]Cc2c[nH+]c3n2CCC3)CCSC1 ZINC000657382212 412979017 /nfs/dbraw/zinc/97/90/17/412979017.db2.gz BSPVIJSTSQSWCN-LBPRGKRZSA-N 2 2 253.371 0.787 20 0 CCADLP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657389120 412979605 /nfs/dbraw/zinc/97/96/05/412979605.db2.gz HHBXIWLCFZLHOM-GFCCVEGCSA-N 2 2 298.435 0.875 20 0 CCADLP CCc1ccccc1CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000574808349 335048747 /nfs/dbraw/zinc/04/87/47/335048747.db2.gz FJCAIXLMLDMOLH-OAHLLOKOSA-N 2 2 275.396 0.893 20 0 CCADLP CCc1ccccc1CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000574808349 335048748 /nfs/dbraw/zinc/04/87/48/335048748.db2.gz FJCAIXLMLDMOLH-OAHLLOKOSA-N 2 2 275.396 0.893 20 0 CCADLP COCCO[C@@H]1C[C@H](CO)C[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414756272 285112884 /nfs/dbraw/zinc/11/28/84/285112884.db2.gz JIPQXWLYCSLIKG-SOUVJXGZSA-N 2 2 288.432 0.706 20 0 CCADLP COCCO[C@@H]1C[C@H](CO)C[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414756272 285112887 /nfs/dbraw/zinc/11/28/87/285112887.db2.gz JIPQXWLYCSLIKG-SOUVJXGZSA-N 2 2 288.432 0.706 20 0 CCADLP Cc1[nH+]cc(C[NH2+]Cc2ccnc(N(C)C)n2)n1C ZINC000657428105 412987688 /nfs/dbraw/zinc/98/76/88/412987688.db2.gz YPDFTQGHUSESHP-UHFFFAOYSA-N 2 2 260.345 0.874 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418219979 533081378 /nfs/dbraw/zinc/08/13/78/533081378.db2.gz SZUZSXTXXZBSKN-LLVKDONJSA-N 2 2 264.329 0.641 20 0 CCADLP COCC(C)(C)[NH+]1CCN(Cc2c[nH+]cn2C)CC1 ZINC000425349556 533096706 /nfs/dbraw/zinc/09/67/06/533096706.db2.gz KWAIDPKFUUQITB-UHFFFAOYSA-N 2 2 266.389 0.963 20 0 CCADLP CC(C)(C)n1nnc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)n1 ZINC000657440007 412993940 /nfs/dbraw/zinc/99/39/40/412993940.db2.gz KBNVJBDZAZIDJM-JTQLQIEISA-N 2 2 275.360 0.729 20 0 CCADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H](C)CO)c2cc1C ZINC000572404351 291877716 /nfs/dbraw/zinc/87/77/16/291877716.db2.gz HKUFHISVOSCLJM-OLZOCXBDSA-N 2 2 277.368 0.984 20 0 CCADLP CC(C)n1c[nH+]cc1C[NH2+]CC(=O)NCC(F)F ZINC000393698994 285210961 /nfs/dbraw/zinc/21/09/61/285210961.db2.gz AHCLTMCMADVYBZ-UHFFFAOYSA-N 2 2 260.288 0.935 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](O)CC(C)(C)C1 ZINC000395366434 285225689 /nfs/dbraw/zinc/22/56/89/285225689.db2.gz NKZVEJVMTYIVRS-UONOGXRCSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](O)CC(C)(C)C1 ZINC000395366434 285225693 /nfs/dbraw/zinc/22/56/93/285225693.db2.gz NKZVEJVMTYIVRS-UONOGXRCSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000395366434 285225698 /nfs/dbraw/zinc/22/56/98/285225698.db2.gz NKZVEJVMTYIVRS-UONOGXRCSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000395366434 285225699 /nfs/dbraw/zinc/22/56/99/285225699.db2.gz NKZVEJVMTYIVRS-UONOGXRCSA-N 2 2 288.432 0.408 20 0 CCADLP Cn1nnc2c1CC[C@@H]([NH2+]Cc1c[nH+]c3n1CCC3)C2 ZINC000657504301 413014632 /nfs/dbraw/zinc/01/46/32/413014632.db2.gz GBGFTSSTULIXBQ-SNVBAGLBSA-N 2 2 272.356 0.605 20 0 CCADLP O=C1N[C@H]2CC[N@H+](CCCn3cc[nH+]c3)C[C@@H]2CO1 ZINC000281215395 195152330 /nfs/dbraw/zinc/15/23/30/195152330.db2.gz DMCRXLPICQWPBR-NEPJUHHUSA-N 2 2 264.329 0.704 20 0 CCADLP O=C1N[C@H]2CC[N@@H+](CCCn3cc[nH+]c3)C[C@@H]2CO1 ZINC000281215395 195152332 /nfs/dbraw/zinc/15/23/32/195152332.db2.gz DMCRXLPICQWPBR-NEPJUHHUSA-N 2 2 264.329 0.704 20 0 CCADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCCOCC1 ZINC000449392598 285259159 /nfs/dbraw/zinc/25/91/59/285259159.db2.gz KLHFRVRJBQWHKI-UONOGXRCSA-N 2 2 256.390 0.992 20 0 CCADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCCOCC1 ZINC000449392598 285259160 /nfs/dbraw/zinc/25/91/60/285259160.db2.gz KLHFRVRJBQWHKI-UONOGXRCSA-N 2 2 256.390 0.992 20 0 CCADLP CN(C)[C@@H](C(=O)N1CCC[N@H+](C)CC1)c1c[nH+]cn1C ZINC000281237640 195162438 /nfs/dbraw/zinc/16/24/38/195162438.db2.gz SRLJQUIINFEEJT-CYBMUJFWSA-N 2 2 279.388 0.187 20 0 CCADLP CN(C)[C@@H](C(=O)N1CCC[N@@H+](C)CC1)c1c[nH+]cn1C ZINC000281237640 195162441 /nfs/dbraw/zinc/16/24/41/195162441.db2.gz SRLJQUIINFEEJT-CYBMUJFWSA-N 2 2 279.388 0.187 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccccc1CO)C1CC1 ZINC000521874760 285293041 /nfs/dbraw/zinc/29/30/41/285293041.db2.gz CTXLEQZBFXLZRU-HNNXBMFYSA-N 2 2 264.369 0.724 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccccc1CO)C1CC1 ZINC000521874760 285293046 /nfs/dbraw/zinc/29/30/46/285293046.db2.gz CTXLEQZBFXLZRU-HNNXBMFYSA-N 2 2 264.369 0.724 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000575053036 335059621 /nfs/dbraw/zinc/05/96/21/335059621.db2.gz DMUCTBBNCFZFCE-UHFFFAOYSA-N 2 2 285.351 0.623 20 0 CCADLP CC(C)C[C@H](CO)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000185368202 388801408 /nfs/dbraw/zinc/80/14/08/388801408.db2.gz YLBDERSLIHTBPY-CYBMUJFWSA-N 2 2 271.405 0.099 20 0 CCADLP CC(C)C[C@H](CO)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000185368202 388801411 /nfs/dbraw/zinc/80/14/11/388801411.db2.gz YLBDERSLIHTBPY-CYBMUJFWSA-N 2 2 271.405 0.099 20 0 CCADLP C[N@@H+]1CC[C@@H]2OCCN(C(=O)C=Cc3c[nH]c[nH+]3)[C@H]2C1 ZINC000285177173 388788884 /nfs/dbraw/zinc/78/88/84/388788884.db2.gz ZHAKWRLFHPSWOK-IVPXFZNXSA-N 2 2 276.340 0.354 20 0 CCADLP C[NH2+]CCCC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000040805239 388855337 /nfs/dbraw/zinc/85/53/37/388855337.db2.gz GJSGHXRTMKWTMY-UHFFFAOYSA-N 2 2 257.378 0.213 20 0 CCADLP COCC[N@H+](C)CC[NH2+][C@H](COC)C1CCOCC1 ZINC000187932130 388904153 /nfs/dbraw/zinc/90/41/53/388904153.db2.gz HBAIESJFSZSJDX-CQSZACIVSA-N 2 2 274.405 0.596 20 0 CCADLP COCC[N@@H+](C)CC[NH2+][C@H](COC)C1CCOCC1 ZINC000187932130 388904155 /nfs/dbraw/zinc/90/41/55/388904155.db2.gz HBAIESJFSZSJDX-CQSZACIVSA-N 2 2 274.405 0.596 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@H](OC)C2)CC1 ZINC000189261928 388952581 /nfs/dbraw/zinc/95/25/81/388952581.db2.gz CBFKVFNTHQIMGM-SOUVJXGZSA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@H](OC)C2)CC1 ZINC000189261928 388952584 /nfs/dbraw/zinc/95/25/84/388952584.db2.gz CBFKVFNTHQIMGM-SOUVJXGZSA-N 2 2 297.443 0.896 20 0 CCADLP O=C(C[C@@H]1CC[NH2+]C1)NCc1ccn2cc[nH+]c2c1 ZINC000190161305 388984294 /nfs/dbraw/zinc/98/42/94/388984294.db2.gz QJPYLUYUIXJDCR-NSHDSACASA-N 2 2 258.325 0.950 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H](O)C2CCCCC2)CC1 ZINC000354891761 389032765 /nfs/dbraw/zinc/03/27/65/389032765.db2.gz KRIKRARHSWDDCS-OAHLLOKOSA-N 2 2 297.443 0.633 20 0 CCADLP C[C@H]1C[C@@H]([NH+](C)CCN2CCOCC2)CC[N@@H+]1C ZINC000336711395 389015029 /nfs/dbraw/zinc/01/50/29/389015029.db2.gz NKACBLSNGGOGGZ-KBPBESRZSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@H]1C[C@@H]([NH+](C)CCN2CCOCC2)CC[N@H+]1C ZINC000336711395 389015032 /nfs/dbraw/zinc/01/50/32/389015032.db2.gz NKACBLSNGGOGGZ-KBPBESRZSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@H]1C[C@@H]([N@H+](C)CCN2CCOCC2)CC[NH+]1C ZINC000336711395 389015034 /nfs/dbraw/zinc/01/50/34/389015034.db2.gz NKACBLSNGGOGGZ-KBPBESRZSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@H]1C[C@@H]([N@@H+](C)CCN2CCOCC2)CC[NH+]1C ZINC000336711395 389015038 /nfs/dbraw/zinc/01/50/38/389015038.db2.gz NKACBLSNGGOGGZ-KBPBESRZSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCN1CC[NH+]2CCC[C@@H]2C1 ZINC000192979483 389059200 /nfs/dbraw/zinc/05/92/00/389059200.db2.gz LYJSOEFWMPCYQC-UONOGXRCSA-N 2 2 253.390 0.487 20 0 CCADLP C[C@H]1COCC[N@H+]1CCN1CC[NH+]2CCC[C@@H]2C1 ZINC000192979483 389059203 /nfs/dbraw/zinc/05/92/03/389059203.db2.gz LYJSOEFWMPCYQC-UONOGXRCSA-N 2 2 253.390 0.487 20 0 CCADLP C[C@H]1COCC[NH+]1CCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000192979483 389059205 /nfs/dbraw/zinc/05/92/05/389059205.db2.gz LYJSOEFWMPCYQC-UONOGXRCSA-N 2 2 253.390 0.487 20 0 CCADLP C[C@H]1COCC[NH+]1CCN1CC[N@H+]2CCC[C@@H]2C1 ZINC000192979483 389059207 /nfs/dbraw/zinc/05/92/07/389059207.db2.gz LYJSOEFWMPCYQC-UONOGXRCSA-N 2 2 253.390 0.487 20 0 CCADLP COCCCNC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000355345450 389063764 /nfs/dbraw/zinc/06/37/64/389063764.db2.gz FITVHSTZMNNRSB-HNNXBMFYSA-N 2 2 297.443 0.803 20 0 CCADLP COCCCNC(=O)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000355345450 389063766 /nfs/dbraw/zinc/06/37/66/389063766.db2.gz FITVHSTZMNNRSB-HNNXBMFYSA-N 2 2 297.443 0.803 20 0 CCADLP COCCCNC(=O)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000355345450 389063768 /nfs/dbraw/zinc/06/37/68/389063768.db2.gz FITVHSTZMNNRSB-HNNXBMFYSA-N 2 2 297.443 0.803 20 0 CCADLP COCCCNC(=O)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000355345450 389063770 /nfs/dbraw/zinc/06/37/70/389063770.db2.gz FITVHSTZMNNRSB-HNNXBMFYSA-N 2 2 297.443 0.803 20 0 CCADLP C[C@H](CNc1cc[nH+]cc1C(N)=O)N1CC[NH+](C)CC1 ZINC000302217598 389065749 /nfs/dbraw/zinc/06/57/49/389065749.db2.gz KIJXTZFZRICWKN-LLVKDONJSA-N 2 2 277.372 0.228 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+]CC2(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000355427532 389076762 /nfs/dbraw/zinc/07/67/62/389076762.db2.gz XQBMDIQSIHUIFP-NEPJUHHUSA-N 2 2 274.430 0.884 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+]CC2(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000355427532 389076763 /nfs/dbraw/zinc/07/67/63/389076763.db2.gz XQBMDIQSIHUIFP-NEPJUHHUSA-N 2 2 274.430 0.884 20 0 CCADLP CCCC[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338185408 389086816 /nfs/dbraw/zinc/08/68/16/389086816.db2.gz PQZGISZKOGOFSJ-UHFFFAOYSA-N 2 2 285.432 0.945 20 0 CCADLP CCCC[N@@H+](C)CCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338185408 389086818 /nfs/dbraw/zinc/08/68/18/389086818.db2.gz PQZGISZKOGOFSJ-UHFFFAOYSA-N 2 2 285.432 0.945 20 0 CCADLP CCC(CC)(C[NH2+]CC(=O)N1CC[NH+](C)CC1)C(=O)OC ZINC000093204885 389035401 /nfs/dbraw/zinc/03/54/01/389035401.db2.gz PTDITIUZNUMAJC-UHFFFAOYSA-N 2 2 299.415 0.329 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@](C)(O)CC1 ZINC000311659102 389104345 /nfs/dbraw/zinc/10/43/45/389104345.db2.gz FIKGEZNAEPQLMW-ZIAGYGMSSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@](C)(O)CC1 ZINC000311659102 389104347 /nfs/dbraw/zinc/10/43/47/389104347.db2.gz FIKGEZNAEPQLMW-ZIAGYGMSSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000311659102 389104348 /nfs/dbraw/zinc/10/43/48/389104348.db2.gz FIKGEZNAEPQLMW-ZIAGYGMSSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@](C)(O)CC1 ZINC000311659102 389104350 /nfs/dbraw/zinc/10/43/50/389104350.db2.gz FIKGEZNAEPQLMW-ZIAGYGMSSA-N 2 2 274.405 0.162 20 0 CCADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@H](O)C(F)(F)F ZINC000338283636 389104690 /nfs/dbraw/zinc/10/46/90/389104690.db2.gz ROPQTDXJCSVOKG-JTQLQIEISA-N 2 2 297.321 0.006 20 0 CCADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@H](O)C(F)(F)F ZINC000338283636 389104693 /nfs/dbraw/zinc/10/46/93/389104693.db2.gz ROPQTDXJCSVOKG-JTQLQIEISA-N 2 2 297.321 0.006 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000226430628 389147776 /nfs/dbraw/zinc/14/77/76/389147776.db2.gz LYVIXAAAWZNZRP-HZSPNIEDSA-N 2 2 285.432 0.927 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000226430628 389147778 /nfs/dbraw/zinc/14/77/78/389147778.db2.gz LYVIXAAAWZNZRP-HZSPNIEDSA-N 2 2 285.432 0.927 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000111785469 389114555 /nfs/dbraw/zinc/11/45/55/389114555.db2.gz QTDGBAMVFMJCPQ-ZDUSSCGKSA-N 2 2 295.387 0.293 20 0 CCADLP COCC[N@H+]1CCC[C@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000111785469 389114558 /nfs/dbraw/zinc/11/45/58/389114558.db2.gz QTDGBAMVFMJCPQ-ZDUSSCGKSA-N 2 2 295.387 0.293 20 0 CCADLP COCCCNC(=O)C[N@@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000316103824 389119117 /nfs/dbraw/zinc/11/91/17/389119117.db2.gz LHCWLTIQCOIDAR-UPJWGTAASA-N 2 2 271.405 0.587 20 0 CCADLP COCCCNC(=O)C[N@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000316103824 389119119 /nfs/dbraw/zinc/11/91/19/389119119.db2.gz LHCWLTIQCOIDAR-UPJWGTAASA-N 2 2 271.405 0.587 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCN2CCC(O)CC2)CC[N@@H+]1C ZINC000321418169 389122439 /nfs/dbraw/zinc/12/24/39/389122439.db2.gz VCAAEGKLKQBTAJ-STQMWFEESA-N 2 2 255.406 0.515 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCN2CCC(O)CC2)CC[N@H+]1C ZINC000321418169 389122442 /nfs/dbraw/zinc/12/24/42/389122442.db2.gz VCAAEGKLKQBTAJ-STQMWFEESA-N 2 2 255.406 0.515 20 0 CCADLP C[C@H]1C[C@@H](NCC[NH+]2CCC(O)CC2)CC[N@@H+]1C ZINC000321418169 389122445 /nfs/dbraw/zinc/12/24/45/389122445.db2.gz VCAAEGKLKQBTAJ-STQMWFEESA-N 2 2 255.406 0.515 20 0 CCADLP C[C@H]1C[C@@H](NCC[NH+]2CCC(O)CC2)CC[N@H+]1C ZINC000321418169 389122446 /nfs/dbraw/zinc/12/24/46/389122446.db2.gz VCAAEGKLKQBTAJ-STQMWFEESA-N 2 2 255.406 0.515 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114199009 389130709 /nfs/dbraw/zinc/13/07/09/389130709.db2.gz HGWQKXLYWNOHEJ-VXGBXAGGSA-N 2 2 284.404 0.493 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114199009 389130710 /nfs/dbraw/zinc/13/07/10/389130710.db2.gz HGWQKXLYWNOHEJ-VXGBXAGGSA-N 2 2 284.404 0.493 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357079442 389131506 /nfs/dbraw/zinc/13/15/06/389131506.db2.gz SNOSVOMMNHKEFP-SRVKXCTJSA-N 2 2 282.388 0.150 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357079442 389131507 /nfs/dbraw/zinc/13/15/07/389131507.db2.gz SNOSVOMMNHKEFP-SRVKXCTJSA-N 2 2 282.388 0.150 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCC[NH+]1C ZINC000357344056 389133733 /nfs/dbraw/zinc/13/37/33/389133733.db2.gz GVHDWOYYTDFIAM-OAHLLOKOSA-N 3 2 296.459 0.565 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCC[NH+]1C ZINC000357344056 389133735 /nfs/dbraw/zinc/13/37/35/389133735.db2.gz GVHDWOYYTDFIAM-OAHLLOKOSA-N 3 2 296.459 0.565 20 0 CCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC000357344056 389133739 /nfs/dbraw/zinc/13/37/39/389133739.db2.gz GVHDWOYYTDFIAM-OAHLLOKOSA-N 3 2 296.459 0.565 20 0 CCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCC[N@H+]1C ZINC000357344056 389133742 /nfs/dbraw/zinc/13/37/42/389133742.db2.gz GVHDWOYYTDFIAM-OAHLLOKOSA-N 3 2 296.459 0.565 20 0 CCADLP C[C@H](CN1CCOCC1)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000222013323 389140786 /nfs/dbraw/zinc/14/07/86/389140786.db2.gz OCGVDRHZYAGFEF-MCIONIFRSA-N 2 2 267.417 0.922 20 0 CCADLP C[C@H](CN1CCOCC1)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000222013323 389140788 /nfs/dbraw/zinc/14/07/88/389140788.db2.gz OCGVDRHZYAGFEF-MCIONIFRSA-N 2 2 267.417 0.922 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)CN2CCOCC2)C1 ZINC000359933677 389186622 /nfs/dbraw/zinc/18/66/22/389186622.db2.gz KHCNWMYTZUOSIQ-MELADBBJSA-N 2 2 255.406 0.637 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)CN2CCOCC2)C1 ZINC000359933677 389186623 /nfs/dbraw/zinc/18/66/23/389186623.db2.gz KHCNWMYTZUOSIQ-MELADBBJSA-N 2 2 255.406 0.637 20 0 CCADLP C[C@@H](O)C[C@H](C)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000341290312 389186840 /nfs/dbraw/zinc/18/68/40/389186840.db2.gz GKKDSBBCMHCFTD-LSDHHAIUSA-N 2 2 299.459 0.532 20 0 CCADLP C[C@@H](O)C[C@H](C)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000341290312 389186843 /nfs/dbraw/zinc/18/68/43/389186843.db2.gz GKKDSBBCMHCFTD-LSDHHAIUSA-N 2 2 299.459 0.532 20 0 CCADLP COC(=O)CNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129585547 389189771 /nfs/dbraw/zinc/18/97/71/389189771.db2.gz OFAUVPKSJQZZFI-NEPJUHHUSA-N 2 2 294.355 0.055 20 0 CCADLP COC(=O)CNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129585547 389189775 /nfs/dbraw/zinc/18/97/75/389189775.db2.gz OFAUVPKSJQZZFI-NEPJUHHUSA-N 2 2 294.355 0.055 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1c[nH+]cn1C ZINC000360095920 389190598 /nfs/dbraw/zinc/19/05/98/389190598.db2.gz BIDFRWLDVGBJLM-DGCLKSJQSA-N 2 2 279.388 0.902 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1c[nH+]cn1C ZINC000360095920 389190601 /nfs/dbraw/zinc/19/06/01/389190601.db2.gz BIDFRWLDVGBJLM-DGCLKSJQSA-N 2 2 279.388 0.902 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(CO)CCCC1 ZINC000134149774 389242091 /nfs/dbraw/zinc/24/20/91/389242091.db2.gz PKQJMKZQLRXVCS-STQMWFEESA-N 2 2 256.390 0.896 20 0 CCADLP C[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000363561303 389250819 /nfs/dbraw/zinc/25/08/19/389250819.db2.gz XNXCWPLLVJBCND-HNNXBMFYSA-N 2 2 295.427 0.651 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C2CCN(C(N)=O)CC2)C1 ZINC000342861054 389254576 /nfs/dbraw/zinc/25/45/76/389254576.db2.gz KSZSFXLRFAOIOI-AWEZNQCLSA-N 2 2 298.431 0.476 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C2CCN(C(N)=O)CC2)C1 ZINC000342861054 389254578 /nfs/dbraw/zinc/25/45/78/389254578.db2.gz KSZSFXLRFAOIOI-AWEZNQCLSA-N 2 2 298.431 0.476 20 0 CCADLP C[N@H+](CCC1CC1)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000135261271 389254859 /nfs/dbraw/zinc/25/48/59/389254859.db2.gz QIEWJJRGCZIOQQ-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP C[N@@H+](CCC1CC1)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000135261271 389254863 /nfs/dbraw/zinc/25/48/63/389254863.db2.gz QIEWJJRGCZIOQQ-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP Cc1nc(N[C@H]2CCC[N@H+](C)[C@H]2C)nc(N(C)C)[nH+]1 ZINC000343586947 389267828 /nfs/dbraw/zinc/26/78/28/389267828.db2.gz CKKVRQIZPSLMIW-ONGXEEELSA-N 2 2 264.377 0.563 20 0 CCADLP Cc1nc(N[C@H]2CCC[N@@H+](C)[C@H]2C)nc(N(C)C)[nH+]1 ZINC000343586947 389267831 /nfs/dbraw/zinc/26/78/31/389267831.db2.gz CKKVRQIZPSLMIW-ONGXEEELSA-N 2 2 264.377 0.563 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000342941694 389255845 /nfs/dbraw/zinc/25/58/45/389255845.db2.gz KITLBPQYLWYXRB-GJZGRUSLSA-N 2 2 285.432 0.094 20 0 CCADLP CC(C)[N@H+]1CC[C@H](N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000342941694 389255846 /nfs/dbraw/zinc/25/58/46/389255846.db2.gz KITLBPQYLWYXRB-GJZGRUSLSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H]1CC[C@@H](C[N@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)O1 ZINC000364381138 389260573 /nfs/dbraw/zinc/26/05/73/389260573.db2.gz JDIHPFOBAMHAOX-PMPSAXMXSA-N 2 2 297.443 0.502 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]CCCN2CCC[NH+](C)CC2)[C@@H](C)C1 ZINC000361184552 389209800 /nfs/dbraw/zinc/20/98/00/389209800.db2.gz SNXIDAJBOCJJDI-HOTGVXAUSA-N 3 2 282.476 0.944 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]CCCN2CCC[NH+](C)CC2)[C@@H](C)C1 ZINC000361184552 389209802 /nfs/dbraw/zinc/20/98/02/389209802.db2.gz SNXIDAJBOCJJDI-HOTGVXAUSA-N 3 2 282.476 0.944 20 0 CCADLP CC[NH+]1C[C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)[C@@H](C)C1 ZINC000361184552 389209803 /nfs/dbraw/zinc/20/98/03/389209803.db2.gz SNXIDAJBOCJJDI-HOTGVXAUSA-N 3 2 282.476 0.944 20 0 CCADLP CC[NH+]1C[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)[C@@H](C)C1 ZINC000361184552 389209804 /nfs/dbraw/zinc/20/98/04/389209804.db2.gz SNXIDAJBOCJJDI-HOTGVXAUSA-N 3 2 282.476 0.944 20 0 CCADLP CO[C@H](C)[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000361219247 389210585 /nfs/dbraw/zinc/21/05/85/389210585.db2.gz BZZCPTPFTSURHE-UTUOFQBUSA-N 2 2 257.378 0.339 20 0 CCADLP CO[C@H](C)[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000361219247 389210587 /nfs/dbraw/zinc/21/05/87/389210587.db2.gz BZZCPTPFTSURHE-UTUOFQBUSA-N 2 2 257.378 0.339 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCC[NH+]1CCC[C@H]1C(N)=O ZINC000361208654 389210673 /nfs/dbraw/zinc/21/06/73/389210673.db2.gz NMZIIPCTMBBIFK-RDBSUJKOSA-N 3 2 282.432 0.256 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC[NH+]1CCC[C@H]1C(N)=O ZINC000361208654 389210675 /nfs/dbraw/zinc/21/06/75/389210675.db2.gz NMZIIPCTMBBIFK-RDBSUJKOSA-N 3 2 282.432 0.256 20 0 CCADLP C[C@@H]1C[NH+](C)CC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000361208654 389210678 /nfs/dbraw/zinc/21/06/78/389210678.db2.gz NMZIIPCTMBBIFK-RDBSUJKOSA-N 3 2 282.432 0.256 20 0 CCADLP C[C@@H]1C[NH+](C)CC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000361208654 389210680 /nfs/dbraw/zinc/21/06/80/389210680.db2.gz NMZIIPCTMBBIFK-RDBSUJKOSA-N 3 2 282.432 0.256 20 0 CCADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)CC(N)=O)CCC2 ZINC000361672844 389222714 /nfs/dbraw/zinc/22/27/14/389222714.db2.gz SUZRRFQSUDMLBA-KOLCDFICSA-N 2 2 250.346 0.922 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCC(=O)OC)C[C@@H]1C ZINC000362188597 389231257 /nfs/dbraw/zinc/23/12/57/389231257.db2.gz SHSIKDYLVAUCFF-RYUDHWBXSA-N 2 2 285.388 0.080 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCC(=O)OC)C[C@@H]1C ZINC000362188597 389231259 /nfs/dbraw/zinc/23/12/59/389231259.db2.gz SHSIKDYLVAUCFF-RYUDHWBXSA-N 2 2 285.388 0.080 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCC(=O)OC)C[C@@H]1C ZINC000362188597 389231261 /nfs/dbraw/zinc/23/12/61/389231261.db2.gz SHSIKDYLVAUCFF-RYUDHWBXSA-N 2 2 285.388 0.080 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCC(=O)OC)C[C@@H]1C ZINC000362188597 389231262 /nfs/dbraw/zinc/23/12/62/389231262.db2.gz SHSIKDYLVAUCFF-RYUDHWBXSA-N 2 2 285.388 0.080 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000331683386 389309890 /nfs/dbraw/zinc/30/98/90/389309890.db2.gz ROPQOVHWNTWYIY-SWLSCSKDSA-N 2 2 296.415 0.685 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000331683386 389309893 /nfs/dbraw/zinc/30/98/93/389309893.db2.gz ROPQOVHWNTWYIY-SWLSCSKDSA-N 2 2 296.415 0.685 20 0 CCADLP COc1c(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c(C)nn1C ZINC000158492640 389342886 /nfs/dbraw/zinc/34/28/86/389342886.db2.gz ZKFVYEFOQCUDSR-NSHDSACASA-N 2 2 252.362 0.908 20 0 CCADLP COc1c(C[N@H+]2CCC[C@@H](C[NH3+])C2)c(C)nn1C ZINC000158492640 389342890 /nfs/dbraw/zinc/34/28/90/389342890.db2.gz ZKFVYEFOQCUDSR-NSHDSACASA-N 2 2 252.362 0.908 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCN(C)C[C@@H]1CCC[NH+]1C ZINC000420995664 389343990 /nfs/dbraw/zinc/34/39/90/389343990.db2.gz IMWLCFOTAFESIF-KGLIPLIRSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCN(C)C[C@@H]1CCC[NH+]1C ZINC000420995664 389343995 /nfs/dbraw/zinc/34/39/95/389343995.db2.gz IMWLCFOTAFESIF-KGLIPLIRSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN(C)C[C@@H]1CCC[N@@H+]1C ZINC000420995664 389343999 /nfs/dbraw/zinc/34/39/99/389343999.db2.gz IMWLCFOTAFESIF-KGLIPLIRSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN(C)C[C@@H]1CCC[N@H+]1C ZINC000420995664 389344002 /nfs/dbraw/zinc/34/40/02/389344002.db2.gz IMWLCFOTAFESIF-KGLIPLIRSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@H]1C[N@H+](CCC(=O)N(C)C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000343926328 389275682 /nfs/dbraw/zinc/27/56/82/389275682.db2.gz PXBUALBQZXLWRZ-GJZGRUSLSA-N 2 2 296.459 0.423 20 0 CCADLP C[C@H]1C[N@@H+](CCC(=O)N(C)C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000343926328 389275684 /nfs/dbraw/zinc/27/56/84/389275684.db2.gz PXBUALBQZXLWRZ-GJZGRUSLSA-N 2 2 296.459 0.423 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261785331 389276395 /nfs/dbraw/zinc/27/63/95/389276395.db2.gz PZBHYLDEWGSAAK-NEPJUHHUSA-N 2 2 282.388 0.152 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261785331 389276398 /nfs/dbraw/zinc/27/63/98/389276398.db2.gz PZBHYLDEWGSAAK-NEPJUHHUSA-N 2 2 282.388 0.152 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366561607 389304450 /nfs/dbraw/zinc/30/44/50/389304450.db2.gz SHXYXYLCNLULHU-IUODEOHRSA-N 2 2 296.415 0.637 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366561607 389304453 /nfs/dbraw/zinc/30/44/53/389304453.db2.gz SHXYXYLCNLULHU-IUODEOHRSA-N 2 2 296.415 0.637 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366561607 389304455 /nfs/dbraw/zinc/30/44/55/389304455.db2.gz SHXYXYLCNLULHU-IUODEOHRSA-N 2 2 296.415 0.637 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366561607 389304457 /nfs/dbraw/zinc/30/44/57/389304457.db2.gz SHXYXYLCNLULHU-IUODEOHRSA-N 2 2 296.415 0.637 20 0 CCADLP COCc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)o1 ZINC000268812315 389391977 /nfs/dbraw/zinc/39/19/77/389391977.db2.gz UQMMQSWSSOWWOO-GFCCVEGCSA-N 2 2 268.357 0.972 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H]2CCC(C)(C)O2)CC1 ZINC000411164646 389418239 /nfs/dbraw/zinc/41/82/39/389418239.db2.gz MQBUPOCCTMNAMO-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)[C@@H]3CCC[NH2+]3)C2=O)n(C)n1 ZINC000333277791 389407721 /nfs/dbraw/zinc/40/77/21/389407721.db2.gz LVCKLBMNJXCRKD-RWMBFGLXSA-N 2 2 291.399 0.564 20 0 CCADLP CN(C)c1ccc(CNC(=O)C[C@H]2C[NH2+]CCO2)c[nH+]1 ZINC000269242711 389409373 /nfs/dbraw/zinc/40/93/73/389409373.db2.gz RMSXYTBDFSOPIH-LBPRGKRZSA-N 2 2 278.356 0.142 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000269248617 389410977 /nfs/dbraw/zinc/41/09/77/389410977.db2.gz FZYMFKFIRVEQCV-ZDUSSCGKSA-N 2 2 295.387 0.137 20 0 CCADLP CN(C)c1cc(NC(=O)[C@H]2CSC[NH2+]2)cc[nH+]1 ZINC000269275784 389412016 /nfs/dbraw/zinc/41/20/16/389412016.db2.gz WTUIWRQKDZKRDY-SECBINFHSA-N 2 2 252.343 0.749 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)[C@@H]([NH3+])C(C)(C)C)n1C ZINC000269277865 389412215 /nfs/dbraw/zinc/41/22/15/389412215.db2.gz YIUMWFRYJUOIIG-SNVBAGLBSA-N 2 2 267.377 0.476 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158602520 389347072 /nfs/dbraw/zinc/34/70/72/389347072.db2.gz JDXFETSJVZNFFD-VXGBXAGGSA-N 2 2 282.388 0.248 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158602520 389347077 /nfs/dbraw/zinc/34/70/77/389347077.db2.gz JDXFETSJVZNFFD-VXGBXAGGSA-N 2 2 282.388 0.248 20 0 CCADLP CCNC(=O)NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158602520 389347079 /nfs/dbraw/zinc/34/70/79/389347079.db2.gz JDXFETSJVZNFFD-VXGBXAGGSA-N 2 2 282.388 0.248 20 0 CCADLP CCNC(=O)NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158602520 389347082 /nfs/dbraw/zinc/34/70/82/389347082.db2.gz JDXFETSJVZNFFD-VXGBXAGGSA-N 2 2 282.388 0.248 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000347673162 389357002 /nfs/dbraw/zinc/35/70/02/389357002.db2.gz CDFTZBNQJOLXPE-UONOGXRCSA-N 3 2 254.422 0.164 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000347673162 389357004 /nfs/dbraw/zinc/35/70/04/389357004.db2.gz CDFTZBNQJOLXPE-UONOGXRCSA-N 3 2 254.422 0.164 20 0 CCADLP C[NH+](C)C(C)(C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000367965837 389366344 /nfs/dbraw/zinc/36/63/44/389366344.db2.gz WCGGBBPILCSXGV-NSHDSACASA-N 2 2 264.373 0.902 20 0 CCADLP O[C@H](C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000422733999 389462379 /nfs/dbraw/zinc/46/23/79/389462379.db2.gz BWGCCYBZIWLOSX-GVDBMIGSSA-N 2 2 290.407 0.947 20 0 CCADLP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)[C@H]1CCC[NH2+]1 ZINC000422740777 389463444 /nfs/dbraw/zinc/46/34/44/389463444.db2.gz NEILELODWNJAQT-GOEBONIOSA-N 3 2 282.476 0.990 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000422770938 389471597 /nfs/dbraw/zinc/47/15/97/389471597.db2.gz QTTVXPGBGRJEHV-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000422770938 389471601 /nfs/dbraw/zinc/47/16/01/389471601.db2.gz QTTVXPGBGRJEHV-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000422806082 389479281 /nfs/dbraw/zinc/47/92/81/389479281.db2.gz JYGBYJXVSBJBBA-KGLIPLIRSA-N 2 2 283.416 0.603 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000422806082 389479286 /nfs/dbraw/zinc/47/92/86/389479286.db2.gz JYGBYJXVSBJBBA-KGLIPLIRSA-N 2 2 283.416 0.603 20 0 CCADLP C[NH2+]C[C@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000422808203 389479350 /nfs/dbraw/zinc/47/93/50/389479350.db2.gz NUJOBYWVKBFLSY-HUUCEWRRSA-N 2 2 295.427 0.555 20 0 CCADLP C[NH2+]C[C@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000422808203 389479353 /nfs/dbraw/zinc/47/93/53/389479353.db2.gz NUJOBYWVKBFLSY-HUUCEWRRSA-N 2 2 295.427 0.555 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@H](C)C[NH2+]C ZINC000422823208 389482641 /nfs/dbraw/zinc/48/26/41/389482641.db2.gz CSJCKDUSPUCQJU-OLZOCXBDSA-N 2 2 271.405 0.459 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@H](C)C[NH2+]C ZINC000422823208 389482646 /nfs/dbraw/zinc/48/26/46/389482646.db2.gz CSJCKDUSPUCQJU-OLZOCXBDSA-N 2 2 271.405 0.459 20 0 CCADLP O=C(NC1CC1)N[C@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000274101467 389485070 /nfs/dbraw/zinc/48/50/70/389485070.db2.gz YHNDZMQZEIYXLS-LBPRGKRZSA-N 2 2 263.345 0.419 20 0 CCADLP O=C(NC1CC1)N[C@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000274101467 389485073 /nfs/dbraw/zinc/48/50/73/389485073.db2.gz YHNDZMQZEIYXLS-LBPRGKRZSA-N 2 2 263.345 0.419 20 0 CCADLP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000422827703 389485359 /nfs/dbraw/zinc/48/53/59/389485359.db2.gz FESRBQWTTOYPFO-JSGCOSHPSA-N 2 2 292.383 0.767 20 0 CCADLP CC[C@H](CCO)C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422849694 389490779 /nfs/dbraw/zinc/49/07/79/389490779.db2.gz CGXVGCLJFWCKTD-BNOWGMLFSA-N 2 2 256.390 0.752 20 0 CCADLP COCC[N@H+](C)CCC[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000422846353 389490878 /nfs/dbraw/zinc/49/08/78/389490878.db2.gz PQIXDSOIGZCNLB-KBPBESRZSA-N 3 2 273.421 0.311 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000422846353 389490883 /nfs/dbraw/zinc/49/08/83/389490883.db2.gz PQIXDSOIGZCNLB-KBPBESRZSA-N 3 2 273.421 0.311 20 0 CCADLP COCC[N@H+](C)CCC[NH2+][C@@H](C)C[C@H]1COCCN1 ZINC000422846353 389490885 /nfs/dbraw/zinc/49/08/85/389490885.db2.gz PQIXDSOIGZCNLB-KBPBESRZSA-N 2 2 273.421 0.311 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)C[C@H]1COCCN1 ZINC000422846353 389490890 /nfs/dbraw/zinc/49/08/90/389490890.db2.gz PQIXDSOIGZCNLB-KBPBESRZSA-N 2 2 273.421 0.311 20 0 CCADLP C[C@@H]1CC[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1n1cc[nH+]c1 ZINC000163285073 389427556 /nfs/dbraw/zinc/42/75/56/389427556.db2.gz JSAVZQAINNKBCY-OLZOCXBDSA-N 2 2 290.367 0.915 20 0 CCADLP C[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1n1cc[nH+]c1 ZINC000163285073 389427559 /nfs/dbraw/zinc/42/75/59/389427559.db2.gz JSAVZQAINNKBCY-OLZOCXBDSA-N 2 2 290.367 0.915 20 0 CCADLP C[C@@H]1CCN(C(=O)N[C@H]2CC[NH2+]C2)C[C@H]1n1cc[nH+]c1 ZINC000333753350 389442158 /nfs/dbraw/zinc/44/21/58/389442158.db2.gz ZIWOWDVMCHZFTE-FRRDWIJNSA-N 2 2 277.372 0.838 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CCC([NH3+])CC1 ZINC000422691512 389453100 /nfs/dbraw/zinc/45/31/00/389453100.db2.gz OELPUAAFEDQLIP-ZDUSSCGKSA-N 2 2 269.389 0.437 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CCC([NH3+])CC1 ZINC000422691512 389453103 /nfs/dbraw/zinc/45/31/03/389453103.db2.gz OELPUAAFEDQLIP-ZDUSSCGKSA-N 2 2 269.389 0.437 20 0 CCADLP CC[C@H](C)NC(=O)CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422699292 389453536 /nfs/dbraw/zinc/45/35/36/389453536.db2.gz CXKAPYDVXDHMRU-WHOFXGATSA-N 2 2 283.416 0.648 20 0 CCADLP Cc1[nH+]ccn1CCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422713783 389457043 /nfs/dbraw/zinc/45/70/43/389457043.db2.gz HXMKQZSJSNGVHB-GJZGRUSLSA-N 3 2 278.400 0.938 20 0 CCADLP Cc1cc(CNC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cc(C)[nH+]1 ZINC000422971432 389512482 /nfs/dbraw/zinc/51/24/82/389512482.db2.gz ISWCETLWOTZPKT-NOZJJQNGSA-N 2 2 290.367 0.120 20 0 CCADLP CC(C)C(=O)NCCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423014236 389522333 /nfs/dbraw/zinc/52/23/33/389522333.db2.gz OMQZOEXOWLKKQH-KGLIPLIRSA-N 2 2 283.416 0.505 20 0 CCADLP C[C@H](CO)CCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423018359 389522352 /nfs/dbraw/zinc/52/23/52/389522352.db2.gz YRFYDLMPCWVUHU-FPMFFAJLSA-N 2 2 256.390 0.752 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000423016109 389522866 /nfs/dbraw/zinc/52/28/66/389522866.db2.gz SINBWYGEOGLOPY-KXUCPTDWSA-N 2 2 270.295 0.656 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)[C@H]1CCCC[NH2+]1 ZINC000423023034 389523532 /nfs/dbraw/zinc/52/35/32/389523532.db2.gz GOVDDWAVNUYVBR-NWANDNLSSA-N 2 2 267.417 0.970 20 0 CCADLP COCCNC(=O)[C@H](CC(C)C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423024416 389523868 /nfs/dbraw/zinc/52/38/68/389523868.db2.gz JFWXWURTAOXWJU-RDBSUJKOSA-N 2 2 285.432 0.894 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CN(C2CC2)CCO1 ZINC000423023586 389523906 /nfs/dbraw/zinc/52/39/06/389523906.db2.gz HPDXIKPZCKVBBR-VNHYZAJKSA-N 2 2 283.416 0.206 20 0 CCADLP CC[C@@H]1CN(CC[NH2+][C@H]2C[NH2+]CC[C@H]2C)CCO1 ZINC000423087855 389531540 /nfs/dbraw/zinc/53/15/40/389531540.db2.gz OUWDPWBOLKBPEJ-MCIONIFRSA-N 2 2 255.406 0.685 20 0 CCADLP CC[C@@H]1C[N@H+](CCN[C@H]2C[NH2+]CC[C@H]2C)CCO1 ZINC000423087855 389531545 /nfs/dbraw/zinc/53/15/45/389531545.db2.gz OUWDPWBOLKBPEJ-MCIONIFRSA-N 2 2 255.406 0.685 20 0 CCADLP CC[C@@H]1C[N@@H+](CCN[C@H]2C[NH2+]CC[C@H]2C)CCO1 ZINC000423087855 389531550 /nfs/dbraw/zinc/53/15/50/389531550.db2.gz OUWDPWBOLKBPEJ-MCIONIFRSA-N 2 2 255.406 0.685 20 0 CCADLP O[C@@H](C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000423100545 389535199 /nfs/dbraw/zinc/53/51/99/389535199.db2.gz BWGCCYBZIWLOSX-IKGGRYGDSA-N 2 2 290.407 0.947 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1N[C@@H](C)C[N@H+](C)C(C)C ZINC000423122697 389538931 /nfs/dbraw/zinc/53/89/31/389538931.db2.gz KZQZTXNGAOZUDH-AVGNSLFASA-N 2 2 271.405 0.598 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1N[C@@H](C)C[N@@H+](C)C(C)C ZINC000423122697 389538933 /nfs/dbraw/zinc/53/89/33/389538933.db2.gz KZQZTXNGAOZUDH-AVGNSLFASA-N 2 2 271.405 0.598 20 0 CCADLP COC[C@]1(C(=O)NCCCNc2cccc[nH+]2)CC[NH2+]C1 ZINC000423347510 389570381 /nfs/dbraw/zinc/57/03/81/389570381.db2.gz RLVZVAWVKYTQQF-HNNXBMFYSA-N 2 2 292.383 0.626 20 0 CCADLP C[C@@H](NC[C@H]1CCCC[N@@H+]1CCO)c1c[nH+]ccc1N ZINC000423142841 389542061 /nfs/dbraw/zinc/54/20/61/389542061.db2.gz BJNIYIGOHMDTQY-CHWSQXEVSA-N 2 2 278.400 0.992 20 0 CCADLP C[C@@H](NC[C@H]1CCCC[N@H+]1CCO)c1c[nH+]ccc1N ZINC000423142841 389542064 /nfs/dbraw/zinc/54/20/64/389542064.db2.gz BJNIYIGOHMDTQY-CHWSQXEVSA-N 2 2 278.400 0.992 20 0 CCADLP C[C@@H]([NH2+]C[C@H]1CCCCN1CCO)c1c[nH+]ccc1N ZINC000423142841 389542069 /nfs/dbraw/zinc/54/20/69/389542069.db2.gz BJNIYIGOHMDTQY-CHWSQXEVSA-N 2 2 278.400 0.992 20 0 CCADLP C(CN1C[C@H]2CC[C@@H](C1)O2)[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423151691 389545397 /nfs/dbraw/zinc/54/53/97/389545397.db2.gz KRJQPPOLHITDJU-QXSJWSMHSA-N 2 2 295.427 0.206 20 0 CCADLP CON(C)C(=O)CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000374110583 389547345 /nfs/dbraw/zinc/54/73/45/389547345.db2.gz XAHHGXLNPNLKSY-LBPRGKRZSA-N 2 2 266.345 0.930 20 0 CCADLP CON(C)C(=O)CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000374110583 389547347 /nfs/dbraw/zinc/54/73/47/389547347.db2.gz XAHHGXLNPNLKSY-LBPRGKRZSA-N 2 2 266.345 0.930 20 0 CCADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423188756 389550149 /nfs/dbraw/zinc/55/01/49/389550149.db2.gz QGTLGTBMOVISAY-RDJZCZTQSA-N 3 2 290.455 0.830 20 0 CCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@H]2CC[NH2+]2)C1 ZINC000335368498 389550968 /nfs/dbraw/zinc/55/09/68/389550968.db2.gz LWSQVHSIEYDRSY-VXGBXAGGSA-N 2 2 262.357 0.563 20 0 CCADLP C[C@@H]([NH2+]CC[NH3+])[C@H](c1ccccc1)N1CCOCC1 ZINC000423189208 389551697 /nfs/dbraw/zinc/55/16/97/389551697.db2.gz QNJXGGMXNUMOQO-UKRRQHHQSA-N 2 2 263.385 0.997 20 0 CCADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(-n2cnnn2)cc1 ZINC000423204179 389552594 /nfs/dbraw/zinc/55/25/94/389552594.db2.gz NXGIFOPLWBABRB-JQWIXIFHSA-N 2 2 258.329 0.675 20 0 CCADLP C[NH2+]CC[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(C)cc1C ZINC000423245379 389556680 /nfs/dbraw/zinc/55/66/80/389556680.db2.gz MKFUSDGKHHZOBA-NSHDSACASA-N 2 2 285.413 0.821 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@H](C[NH3+])CC(C)C ZINC000423267098 389558489 /nfs/dbraw/zinc/55/84/89/389558489.db2.gz SPXZWELNVVLIES-SDDRHHMPSA-N 2 2 257.378 0.243 20 0 CCADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@H](C[NH3+])CC(C)C ZINC000423267098 389558492 /nfs/dbraw/zinc/55/84/92/389558492.db2.gz SPXZWELNVVLIES-SDDRHHMPSA-N 2 2 257.378 0.243 20 0 CCADLP CCCC[C@H](C[NH3+])N[C@H]1CC[NH2+][C@H]1C(=O)OCC ZINC000423294892 389559421 /nfs/dbraw/zinc/55/94/21/389559421.db2.gz DCOKEZNKNOBIJW-GRYCIOLGSA-N 2 2 257.378 0.387 20 0 CCADLP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCN[C@H]1C(=O)OCC ZINC000423294892 389559425 /nfs/dbraw/zinc/55/94/25/389559425.db2.gz DCOKEZNKNOBIJW-GRYCIOLGSA-N 2 2 257.378 0.387 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@@H]([NH3+])C2CCC2)c[nH+]1 ZINC000423331382 389566949 /nfs/dbraw/zinc/56/69/49/389566949.db2.gz QHJKNJSLOLERQH-ZDUSSCGKSA-N 2 2 262.357 0.891 20 0 CCADLP CC1CC[NH+](CCNC(=O)[C@@H]([NH3+])c2cscn2)CC1 ZINC000423330322 389566969 /nfs/dbraw/zinc/56/69/69/389566969.db2.gz NOXKYEHKIHCJGJ-LBPRGKRZSA-N 2 2 282.413 0.991 20 0 CCADLP C[NH2+]CC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cc(C)no1 ZINC000423921353 389615034 /nfs/dbraw/zinc/61/50/34/389615034.db2.gz IAZODTDCGBLVNL-RYUDHWBXSA-N 2 2 298.362 0.573 20 0 CCADLP C[NH2+]CC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cc(C)no1 ZINC000423921353 389615038 /nfs/dbraw/zinc/61/50/38/389615038.db2.gz IAZODTDCGBLVNL-RYUDHWBXSA-N 2 2 298.362 0.573 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H]2c2ncc[nH]2)CC1 ZINC000374909539 389618848 /nfs/dbraw/zinc/61/88/48/389618848.db2.gz GNDOCHCRDYITEK-ZDUSSCGKSA-N 2 2 291.399 0.711 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H]2c2ncc[nH]2)CC1 ZINC000374909539 389618853 /nfs/dbraw/zinc/61/88/53/389618853.db2.gz GNDOCHCRDYITEK-ZDUSSCGKSA-N 2 2 291.399 0.711 20 0 CCADLP CC[N@@H+]1CCCN(CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000374908303 389619205 /nfs/dbraw/zinc/61/92/05/389619205.db2.gz GBEZQAKAAMPVRG-UHFFFAOYSA-N 2 2 282.432 0.178 20 0 CCADLP CC[N@H+]1CCCN(CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000374908303 389619209 /nfs/dbraw/zinc/61/92/09/389619209.db2.gz GBEZQAKAAMPVRG-UHFFFAOYSA-N 2 2 282.432 0.178 20 0 CCADLP CCN1CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000374908303 389619213 /nfs/dbraw/zinc/61/92/13/389619213.db2.gz GBEZQAKAAMPVRG-UHFFFAOYSA-N 2 2 282.432 0.178 20 0 CCADLP CCN1CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000374908303 389619215 /nfs/dbraw/zinc/61/92/15/389619215.db2.gz GBEZQAKAAMPVRG-UHFFFAOYSA-N 2 2 282.432 0.178 20 0 CCADLP C[C@H](c1cnn(C)c1)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351582870 389622266 /nfs/dbraw/zinc/62/22/66/389622266.db2.gz SBADDVZMMNQXOK-RISCZKNCSA-N 2 2 266.389 0.868 20 0 CCADLP C[C@H](c1cnn(C)c1)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351582870 389622268 /nfs/dbraw/zinc/62/22/68/389622268.db2.gz SBADDVZMMNQXOK-RISCZKNCSA-N 2 2 266.389 0.868 20 0 CCADLP C[C@H](c1cnn(C)c1)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351582870 389622271 /nfs/dbraw/zinc/62/22/71/389622271.db2.gz SBADDVZMMNQXOK-RISCZKNCSA-N 2 2 266.389 0.868 20 0 CCADLP C[C@H](c1cnn(C)c1)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351582870 389622274 /nfs/dbraw/zinc/62/22/74/389622274.db2.gz SBADDVZMMNQXOK-RISCZKNCSA-N 2 2 266.389 0.868 20 0 CCADLP COc1cc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)cc2c1OCO2 ZINC000414964624 389647633 /nfs/dbraw/zinc/64/76/33/389647633.db2.gz MNVUEPLQDNARRO-LBPRGKRZSA-N 2 2 293.367 0.417 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000414960533 389647796 /nfs/dbraw/zinc/64/77/96/389647796.db2.gz HCMFVUZWVYJULW-MRXNPFEDSA-N 2 2 285.395 0.866 20 0 CCADLP CC[C@H](C)NC(=O)C[NH+]1CCN(C[C@@H]([NH3+])CC(C)C)CC1 ZINC000414681228 389625862 /nfs/dbraw/zinc/62/58/62/389625862.db2.gz VOBMQKASHYPQKC-GJZGRUSLSA-N 2 2 298.475 0.892 20 0 CCADLP [NH3+]CCC[NH+]1CCN(C(=O)c2ccsc2)CC1 ZINC000414690182 389627536 /nfs/dbraw/zinc/62/75/36/389627536.db2.gz MSKHJMWZCDLLMG-UHFFFAOYSA-N 2 2 253.371 0.855 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000414705739 389629170 /nfs/dbraw/zinc/62/91/70/389629170.db2.gz XIZROKJOTJHUTK-NWDGAFQWSA-N 2 2 277.434 0.360 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000414705739 389629174 /nfs/dbraw/zinc/62/91/74/389629174.db2.gz XIZROKJOTJHUTK-NWDGAFQWSA-N 2 2 277.434 0.360 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000414705742 389629437 /nfs/dbraw/zinc/62/94/37/389629437.db2.gz XIZROKJOTJHUTK-VXGBXAGGSA-N 2 2 277.434 0.360 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000414705742 389629438 /nfs/dbraw/zinc/62/94/38/389629438.db2.gz XIZROKJOTJHUTK-VXGBXAGGSA-N 2 2 277.434 0.360 20 0 CCADLP COC[C@](C)(CC(=O)OC)[NH2+]CC[NH2+]C(C)(C)C ZINC000414712712 389630355 /nfs/dbraw/zinc/63/03/55/389630355.db2.gz OANKNZBXJDAZQX-ZDUSSCGKSA-N 2 2 260.378 0.932 20 0 CCADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1cccc2c1OCCCO2 ZINC000414959356 389648105 /nfs/dbraw/zinc/64/81/05/389648105.db2.gz FEMNKCOYUJWTDD-AWEZNQCLSA-N 2 2 291.395 0.841 20 0 CCADLP C[NH2+]CC[NH2+][C@@H](C)CC(=O)Nc1cccc(C(=O)OC)c1 ZINC000414830982 389638931 /nfs/dbraw/zinc/63/89/31/389638931.db2.gz OZMOJPBVIHJXFE-NSHDSACASA-N 2 2 293.367 0.999 20 0 CCADLP CN(C)C(=O)COc1ccccc1C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414854552 389640495 /nfs/dbraw/zinc/64/04/95/389640495.db2.gz ZNEDIZAKZYXSAT-CQSZACIVSA-N 2 2 291.395 0.995 20 0 CCADLP COCC[NH2+]CC[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000414868277 389641894 /nfs/dbraw/zinc/64/18/94/389641894.db2.gz DPRZDMCZEQKVKM-UHFFFAOYSA-N 2 2 275.356 0.593 20 0 CCADLP C(C[C@H]1CCC[NH2+]1)[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423356223 389572800 /nfs/dbraw/zinc/57/28/00/389572800.db2.gz JPMYFOLHHYLHSC-MCIONIFRSA-N 3 2 253.390 0.485 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000374385079 389573672 /nfs/dbraw/zinc/57/36/72/389573672.db2.gz JDYDPZQWRWYJFL-CQSZACIVSA-N 2 2 276.384 0.895 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000423373194 389575479 /nfs/dbraw/zinc/57/54/79/389575479.db2.gz IWPPFYVKFNRCHJ-AGIUHOORSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC000423373194 389575480 /nfs/dbraw/zinc/57/54/80/389575480.db2.gz IWPPFYVKFNRCHJ-AGIUHOORSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000423379303 389576688 /nfs/dbraw/zinc/57/66/88/389576688.db2.gz MYSBCTXUVRXMDH-CHWSQXEVSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000423379303 389576690 /nfs/dbraw/zinc/57/66/90/389576690.db2.gz MYSBCTXUVRXMDH-CHWSQXEVSA-N 2 2 283.416 0.602 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@@H+]1CCOC(C)(C)C1)[C@H](C)[NH3+] ZINC000423393061 389577769 /nfs/dbraw/zinc/57/77/69/389577769.db2.gz QIXDADKOBVKKIG-STQMWFEESA-N 2 2 285.432 0.833 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@H+]1CCOC(C)(C)C1)[C@H](C)[NH3+] ZINC000423393061 389577771 /nfs/dbraw/zinc/57/77/71/389577771.db2.gz QIXDADKOBVKKIG-STQMWFEESA-N 2 2 285.432 0.833 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000423395978 389579012 /nfs/dbraw/zinc/57/90/12/389579012.db2.gz SBJCLGSKTDOZQC-STQMWFEESA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000423395978 389579015 /nfs/dbraw/zinc/57/90/15/389579015.db2.gz SBJCLGSKTDOZQC-STQMWFEESA-N 2 2 283.416 0.602 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC2(COC)CC[NH2+]CC2)C1 ZINC000423405458 389581391 /nfs/dbraw/zinc/58/13/91/389581391.db2.gz JHHFGNRRCGOJTJ-UONOGXRCSA-N 3 2 269.433 0.932 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC2(COC)CC[NH2+]CC2)C1 ZINC000423405458 389581395 /nfs/dbraw/zinc/58/13/95/389581395.db2.gz JHHFGNRRCGOJTJ-UONOGXRCSA-N 3 2 269.433 0.932 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351480924 389587842 /nfs/dbraw/zinc/58/78/42/389587842.db2.gz WJMVDJLLHMJZBJ-RWMBFGLXSA-N 2 2 274.430 0.869 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351480924 389587845 /nfs/dbraw/zinc/58/78/45/389587845.db2.gz WJMVDJLLHMJZBJ-RWMBFGLXSA-N 2 2 274.430 0.869 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H]1C(=O)NC1CC1)C1CC1 ZINC000351490387 389591748 /nfs/dbraw/zinc/59/17/48/389591748.db2.gz LEZDKJQZRYFNTB-KGLIPLIRSA-N 2 2 281.400 0.185 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H]1C(=O)NC1CC1)C1CC1 ZINC000351490387 389591750 /nfs/dbraw/zinc/59/17/50/389591750.db2.gz LEZDKJQZRYFNTB-KGLIPLIRSA-N 2 2 281.400 0.185 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H]1C(=O)NC1CC1)C1CC1 ZINC000351490387 389591753 /nfs/dbraw/zinc/59/17/53/389591753.db2.gz LEZDKJQZRYFNTB-KGLIPLIRSA-N 2 2 281.400 0.185 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H]1C(=O)NC1CC1)C1CC1 ZINC000351490387 389591755 /nfs/dbraw/zinc/59/17/55/389591755.db2.gz LEZDKJQZRYFNTB-KGLIPLIRSA-N 2 2 281.400 0.185 20 0 CCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C1CCOCC1 ZINC000178070431 389595705 /nfs/dbraw/zinc/59/57/05/389595705.db2.gz ZZHAMXGVSNINOM-LBPRGKRZSA-N 2 2 269.389 0.165 20 0 CCADLP COCC[N@@H+]1CC[C@@H](N[C@H](C[NH3+])C2CCCC2)C1 ZINC000423501881 389596651 /nfs/dbraw/zinc/59/66/51/389596651.db2.gz LNHGMBCWODKVLA-ZIAGYGMSSA-N 2 2 255.406 0.814 20 0 CCADLP COCC[N@H+]1CC[C@@H](N[C@H](C[NH3+])C2CCCC2)C1 ZINC000423501881 389596654 /nfs/dbraw/zinc/59/66/54/389596654.db2.gz LNHGMBCWODKVLA-ZIAGYGMSSA-N 2 2 255.406 0.814 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCCCO3)C2)CC1 ZINC000374654499 389597532 /nfs/dbraw/zinc/59/75/32/389597532.db2.gz IDGGSIQCWQCWEL-ZDUSSCGKSA-N 2 2 296.415 0.892 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCCCO3)C2)CC1 ZINC000374654499 389597541 /nfs/dbraw/zinc/59/75/41/389597541.db2.gz IDGGSIQCWQCWEL-ZDUSSCGKSA-N 2 2 296.415 0.892 20 0 CCADLP Cn1c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)nnc1C1CC1 ZINC000351501440 389597792 /nfs/dbraw/zinc/59/77/92/389597792.db2.gz YBCOHCVZDIHLGB-SDDRHHMPSA-N 2 2 261.373 0.862 20 0 CCADLP Cn1c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)nnc1C1CC1 ZINC000351501440 389597797 /nfs/dbraw/zinc/59/77/97/389597797.db2.gz YBCOHCVZDIHLGB-SDDRHHMPSA-N 2 2 261.373 0.862 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000423580467 389602227 /nfs/dbraw/zinc/60/22/27/389602227.db2.gz XTNVZCVEZRNESU-STQMWFEESA-N 2 2 269.389 0.213 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000423580467 389602230 /nfs/dbraw/zinc/60/22/30/389602230.db2.gz XTNVZCVEZRNESU-STQMWFEESA-N 2 2 269.389 0.213 20 0 CCADLP COC(=O)c1cc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c[nH]1 ZINC000414930732 389646641 /nfs/dbraw/zinc/64/66/41/389646641.db2.gz PEOSVFCLSMZIFX-BXKDBHETSA-N 2 2 251.330 0.889 20 0 CCADLP COc1ccccc1-n1nccc1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000415069160 389655314 /nfs/dbraw/zinc/65/53/14/389655314.db2.gz ODZSSYYCSVRYSO-ZDUSSCGKSA-N 2 2 290.367 0.632 20 0 CCADLP COc1ccccc1-n1nccc1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000415069160 389655318 /nfs/dbraw/zinc/65/53/18/389655318.db2.gz ODZSSYYCSVRYSO-ZDUSSCGKSA-N 2 2 290.367 0.632 20 0 CCADLP COC(=O)COc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)cc1 ZINC000415098633 389658887 /nfs/dbraw/zinc/65/88/87/389658887.db2.gz WILBWDWUKCUIPA-AWEZNQCLSA-N 2 2 294.351 0.316 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(=O)[nH]n1 ZINC000428216494 389686738 /nfs/dbraw/zinc/68/67/38/389686738.db2.gz PQDMPTMJLOYBRU-VXGBXAGGSA-N 2 2 280.372 0.944 20 0 CCADLP CC(C)COCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000375594344 389689927 /nfs/dbraw/zinc/68/99/27/389689927.db2.gz AOKOMJDCAZXOGY-OAHLLOKOSA-N 2 2 297.443 0.897 20 0 CCADLP CC(C)COCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000375594344 389689932 /nfs/dbraw/zinc/68/99/32/389689932.db2.gz AOKOMJDCAZXOGY-OAHLLOKOSA-N 2 2 297.443 0.897 20 0 CCADLP COC1(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)CCOCC1 ZINC000428869402 389724058 /nfs/dbraw/zinc/72/40/58/389724058.db2.gz AXIXYRVYWRJFLH-CYBMUJFWSA-N 2 2 299.415 0.111 20 0 CCADLP COC1(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)CCOCC1 ZINC000428869402 389724062 /nfs/dbraw/zinc/72/40/62/389724062.db2.gz AXIXYRVYWRJFLH-CYBMUJFWSA-N 2 2 299.415 0.111 20 0 CCADLP COc1coc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1=O ZINC000351857466 389699721 /nfs/dbraw/zinc/69/97/21/389699721.db2.gz BNDHDUGAAJJOSU-UWVGGRQHSA-N 2 2 252.314 0.818 20 0 CCADLP COc1coc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1=O ZINC000351857466 389699724 /nfs/dbraw/zinc/69/97/24/389699724.db2.gz BNDHDUGAAJJOSU-UWVGGRQHSA-N 2 2 252.314 0.818 20 0 CCADLP C[C@@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)[NH+]1CCOCC1 ZINC000429560026 389760381 /nfs/dbraw/zinc/76/03/81/389760381.db2.gz IVRFDIBFMRWGLD-ZDUSSCGKSA-N 2 2 295.427 0.698 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCSC[C@H](C)C1 ZINC000379462168 389761532 /nfs/dbraw/zinc/76/15/32/389761532.db2.gz CIOLQNBZCBAOEL-CHWSQXEVSA-N 2 2 276.446 0.610 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCSC[C@H](C)C1 ZINC000379462168 389761534 /nfs/dbraw/zinc/76/15/34/389761534.db2.gz CIOLQNBZCBAOEL-CHWSQXEVSA-N 2 2 276.446 0.610 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCSC[C@H](C)C1 ZINC000379462168 389761536 /nfs/dbraw/zinc/76/15/36/389761536.db2.gz CIOLQNBZCBAOEL-CHWSQXEVSA-N 2 2 276.446 0.610 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCSC[C@H](C)C1 ZINC000379462168 389761537 /nfs/dbraw/zinc/76/15/37/389761537.db2.gz CIOLQNBZCBAOEL-CHWSQXEVSA-N 2 2 276.446 0.610 20 0 CCADLP CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000397458317 389777822 /nfs/dbraw/zinc/77/78/22/389777822.db2.gz OCKIALFXGSTILQ-OLZOCXBDSA-N 2 2 299.415 0.964 20 0 CCADLP CN(C)c1ccc(CNC(=O)NC[C@@H]2CCC[NH2+]2)c[nH+]1 ZINC000417005650 389788320 /nfs/dbraw/zinc/78/83/20/389788320.db2.gz DSRGFZGXAYXZTP-LBPRGKRZSA-N 2 2 277.372 0.699 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)NCCCn1cc[nH+]c1 ZINC000352312110 389788676 /nfs/dbraw/zinc/78/86/76/389788676.db2.gz CMVLCZMLLSFYML-UHFFFAOYSA-N 2 2 288.417 0.534 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000417019486 389790399 /nfs/dbraw/zinc/79/03/99/389790399.db2.gz GJTUWMUHMSNRDQ-JHJVBQTASA-N 2 2 284.404 0.086 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000417045065 389791596 /nfs/dbraw/zinc/79/15/96/389791596.db2.gz ZDHAPBPFUAWYMP-KBPBESRZSA-N 2 2 298.431 0.539 20 0 CCADLP C[C@@H](C[NH3+])N(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000417077747 389793577 /nfs/dbraw/zinc/79/35/77/389793577.db2.gz LNLSCFPUUQBCHD-NSHDSACASA-N 2 2 265.361 0.872 20 0 CCADLP [NH3+][C@@H](CNC(=O)NCCCNc1cccc[nH+]1)C1CC1 ZINC000417084268 389794670 /nfs/dbraw/zinc/79/46/70/389794670.db2.gz VXGIUCNAACTZAH-LBPRGKRZSA-N 2 2 277.372 0.920 20 0 CCADLP CN(C(=O)[C@H]1C[N@H+](C)CCO1)C(C)(C)C[NH+]1CCCC1 ZINC000416332703 389734896 /nfs/dbraw/zinc/73/48/96/389734896.db2.gz INQQAOAFIFNCQF-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C(C)(C)C[NH+]1CCCC1 ZINC000416332703 389734898 /nfs/dbraw/zinc/73/48/98/389734898.db2.gz INQQAOAFIFNCQF-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP CC(C)C[C@@H](C[NH3+])NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000416435363 389743276 /nfs/dbraw/zinc/74/32/76/389743276.db2.gz ZMNYYQUSRSJQPN-RYUDHWBXSA-N 2 2 267.377 0.944 20 0 CCADLP CCC[NH2+]CCNC(=O)NCCCn1cc[nH+]c1 ZINC000416441768 389744134 /nfs/dbraw/zinc/74/41/34/389744134.db2.gz WGNSKRVTLLIVRF-UHFFFAOYSA-N 2 2 253.350 0.572 20 0 CCADLP CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000352407014 389805731 /nfs/dbraw/zinc/80/57/31/389805731.db2.gz OMOQCCOJTZJZTN-QWRGUYRKSA-N 2 2 272.374 0.360 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000430548436 389807096 /nfs/dbraw/zinc/80/70/96/389807096.db2.gz WOJGTAXLUFSNTM-CABCVRRESA-N 3 2 298.475 0.844 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000430548436 389807098 /nfs/dbraw/zinc/80/70/98/389807098.db2.gz WOJGTAXLUFSNTM-CABCVRRESA-N 3 2 298.475 0.844 20 0 CCADLP Cc1cnn([C@H]2CC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)C2)c1 ZINC000352416202 389807459 /nfs/dbraw/zinc/80/74/59/389807459.db2.gz SBKOQZKPVYPHNI-GJZGRUSLSA-N 2 2 278.400 0.893 20 0 CCADLP Cc1cnn([C@H]2CC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)C2)c1 ZINC000352416202 389807462 /nfs/dbraw/zinc/80/74/62/389807462.db2.gz SBKOQZKPVYPHNI-GJZGRUSLSA-N 2 2 278.400 0.893 20 0 CCADLP Cc1cnn([C@H]2CC[N@@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)c1 ZINC000352416202 389807464 /nfs/dbraw/zinc/80/74/64/389807464.db2.gz SBKOQZKPVYPHNI-GJZGRUSLSA-N 2 2 278.400 0.893 20 0 CCADLP Cc1cnn([C@H]2CC[N@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)c1 ZINC000352416202 389807469 /nfs/dbraw/zinc/80/74/69/389807469.db2.gz SBKOQZKPVYPHNI-GJZGRUSLSA-N 2 2 278.400 0.893 20 0 CCADLP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C[NH3+])C1 ZINC000430591868 389810423 /nfs/dbraw/zinc/81/04/23/389810423.db2.gz LCAGVOCOAXILSB-ZDUSSCGKSA-N 2 2 298.431 0.030 20 0 CCADLP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C[NH3+])C1 ZINC000430591868 389810425 /nfs/dbraw/zinc/81/04/25/389810425.db2.gz LCAGVOCOAXILSB-ZDUSSCGKSA-N 2 2 298.431 0.030 20 0 CCADLP c1cc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)sn1 ZINC000404433340 389811000 /nfs/dbraw/zinc/81/10/00/389811000.db2.gz CNOGMJRLEPWCJY-LLVKDONJSA-N 2 2 252.387 0.623 20 0 CCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430628505 389814100 /nfs/dbraw/zinc/81/41/00/389814100.db2.gz OTQREDWXJLOKLY-MNOVXSKESA-N 2 2 284.404 0.670 20 0 CCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430628505 389814103 /nfs/dbraw/zinc/81/41/03/389814103.db2.gz OTQREDWXJLOKLY-MNOVXSKESA-N 2 2 284.404 0.670 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC[C@@H]2CCCO2)C1 ZINC000430637966 389814865 /nfs/dbraw/zinc/81/48/65/389814865.db2.gz DXFWMNGKGCNDKC-IHRRRGAJSA-N 2 2 283.416 0.602 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC[C@@H]2CCCO2)C1 ZINC000430637966 389814869 /nfs/dbraw/zinc/81/48/69/389814869.db2.gz DXFWMNGKGCNDKC-IHRRRGAJSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000417497809 389820564 /nfs/dbraw/zinc/82/05/64/389820564.db2.gz BNJHDJGWYCPCGQ-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000417497809 389820567 /nfs/dbraw/zinc/82/05/67/389820567.db2.gz BNJHDJGWYCPCGQ-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP C[NH2+][C@H]1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000417503535 389822619 /nfs/dbraw/zinc/82/26/19/389822619.db2.gz KUQOPKMSNLKPED-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP C[NH2+][C@H]1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000417503535 389822621 /nfs/dbraw/zinc/82/26/21/389822621.db2.gz KUQOPKMSNLKPED-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000430772317 389824112 /nfs/dbraw/zinc/82/41/12/389824112.db2.gz KUFRMBNLUXYEKP-GFCCVEGCSA-N 2 2 278.356 0.494 20 0 CCADLP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000430772317 389824116 /nfs/dbraw/zinc/82/41/16/389824116.db2.gz KUFRMBNLUXYEKP-GFCCVEGCSA-N 2 2 278.356 0.494 20 0 CCADLP C[C@@H](NC(=O)N[C@H]1CC[NH2+]C[C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000417515860 389824479 /nfs/dbraw/zinc/82/44/79/389824479.db2.gz FDUITYUUWCJNON-MQYQWHSLSA-N 2 2 298.431 0.393 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000417513316 389824525 /nfs/dbraw/zinc/82/45/25/389824525.db2.gz XKBOLVVJBBGNPC-CHWSQXEVSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000417513316 389824527 /nfs/dbraw/zinc/82/45/27/389824527.db2.gz XKBOLVVJBBGNPC-CHWSQXEVSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000417522522 389825987 /nfs/dbraw/zinc/82/59/87/389825987.db2.gz GQIZBPACDORUSQ-OLZOCXBDSA-N 2 2 284.404 0.230 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000417522522 389825989 /nfs/dbraw/zinc/82/59/89/389825989.db2.gz GQIZBPACDORUSQ-OLZOCXBDSA-N 2 2 284.404 0.230 20 0 CCADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)NCCOc2ccc(F)cc2)C1 ZINC000430916805 389834248 /nfs/dbraw/zinc/83/42/48/389834248.db2.gz BKBCQGZEXOOBDG-GFCCVEGCSA-N 2 2 295.358 0.601 20 0 CCADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)NCCOc2ccc(F)cc2)C1 ZINC000430916805 389834249 /nfs/dbraw/zinc/83/42/49/389834249.db2.gz BKBCQGZEXOOBDG-GFCCVEGCSA-N 2 2 295.358 0.601 20 0 CCADLP Cc1cnn(C)c1C[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000352758511 389835495 /nfs/dbraw/zinc/83/54/95/389835495.db2.gz ZDNCQRVHHWIVBD-CQSZACIVSA-N 2 2 280.416 0.911 20 0 CCADLP Cc1cc(N2CC[C@@H]([N@@H+]3CC[C@H](C[NH3+])C3)C2=O)n(C)n1 ZINC000430929295 389835864 /nfs/dbraw/zinc/83/58/64/389835864.db2.gz ORTYQDPTWUXDGA-VXGBXAGGSA-N 2 2 277.372 0.114 20 0 CCADLP Cc1cc(N2CC[C@@H]([N@H+]3CC[C@H](C[NH3+])C3)C2=O)n(C)n1 ZINC000430929295 389835868 /nfs/dbraw/zinc/83/58/68/389835868.db2.gz ORTYQDPTWUXDGA-VXGBXAGGSA-N 2 2 277.372 0.114 20 0 CCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC000352807904 389836911 /nfs/dbraw/zinc/83/69/11/389836911.db2.gz XJPYCINNDQWCRV-VNHYZAJKSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC000352807904 389836914 /nfs/dbraw/zinc/83/69/14/389836914.db2.gz XJPYCINNDQWCRV-VNHYZAJKSA-N 2 2 288.395 0.998 20 0 CCADLP CCC[N@H+](CC(=O)Nc1ccncc1)C1CC[NH2+]CC1 ZINC000431073196 389849093 /nfs/dbraw/zinc/84/90/93/389849093.db2.gz WFDQEVLXGGNPMT-UHFFFAOYSA-N 2 2 276.384 0.906 20 0 CCADLP CCC[N@@H+](CC(=O)Nc1ccncc1)C1CC[NH2+]CC1 ZINC000431073196 389849096 /nfs/dbraw/zinc/84/90/96/389849096.db2.gz WFDQEVLXGGNPMT-UHFFFAOYSA-N 2 2 276.384 0.906 20 0 CCADLP C[C@H](C[NH3+])CNC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000417811924 389851459 /nfs/dbraw/zinc/85/14/59/389851459.db2.gz KHYIFRNXEVTGHG-HQJQHLMTSA-N 2 2 257.284 0.676 20 0 CCADLP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000353464080 389851943 /nfs/dbraw/zinc/85/19/43/389851943.db2.gz XBMCOWWYXRFREP-ZYHUDNBSSA-N 2 2 250.346 0.703 20 0 CCADLP C[C@@H]([NH3+])CN1CC[NH+](CC(=O)N(C)C2CCCCC2)CC1 ZINC000442664316 389854640 /nfs/dbraw/zinc/85/46/40/389854640.db2.gz WHTVDBFHYCYYMH-CQSZACIVSA-N 2 2 296.459 0.742 20 0 CCADLP COCCc1noc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)n1 ZINC000442763700 389861723 /nfs/dbraw/zinc/86/17/23/389861723.db2.gz JAUGPRHIJNUWHY-NXEZZACHSA-N 2 2 254.334 0.428 20 0 CCADLP COCCc1noc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)n1 ZINC000442763700 389861726 /nfs/dbraw/zinc/86/17/26/389861726.db2.gz JAUGPRHIJNUWHY-NXEZZACHSA-N 2 2 254.334 0.428 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+](CCO)[C@H]1CCCSC1)C1CC1 ZINC000433186543 389904528 /nfs/dbraw/zinc/90/45/28/389904528.db2.gz FHJBBJIKRFVMTO-UONOGXRCSA-N 2 2 288.457 0.631 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+](CCO)[C@H]1CCCSC1)C1CC1 ZINC000433186543 389904531 /nfs/dbraw/zinc/90/45/31/389904531.db2.gz FHJBBJIKRFVMTO-UONOGXRCSA-N 2 2 288.457 0.631 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+](CCO)[C@H]1CCCSC1)C1CC1 ZINC000433186543 389904532 /nfs/dbraw/zinc/90/45/32/389904532.db2.gz FHJBBJIKRFVMTO-UONOGXRCSA-N 2 2 288.457 0.631 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+](CCO)[C@H]1CCCSC1)C1CC1 ZINC000433186543 389904535 /nfs/dbraw/zinc/90/45/35/389904535.db2.gz FHJBBJIKRFVMTO-UONOGXRCSA-N 2 2 288.457 0.631 20 0 CCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)[C@H]1CC[NH2+]1 ZINC000444193043 389896255 /nfs/dbraw/zinc/89/62/55/389896255.db2.gz ZVURQESIKJQVLO-LLVKDONJSA-N 2 2 265.382 0.584 20 0 CCADLP O=C(NCC[N@H+]1CCc2sccc2C1)[C@H]1CC[NH2+]1 ZINC000444193043 389896258 /nfs/dbraw/zinc/89/62/58/389896258.db2.gz ZVURQESIKJQVLO-LLVKDONJSA-N 2 2 265.382 0.584 20 0 CCADLP CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH+]1CCOCC1)[NH+](C)C ZINC000447655691 389961539 /nfs/dbraw/zinc/96/15/39/389961539.db2.gz DYNGFCAZBKALSB-ZIAGYGMSSA-N 2 2 285.432 0.752 20 0 CCADLP CC(C)c1nc(NCC2([NH3+])CCC2)nc(N(C)C)[nH+]1 ZINC000420227756 389968327 /nfs/dbraw/zinc/96/83/27/389968327.db2.gz JTINXCXBYOZUHL-UHFFFAOYSA-N 2 2 264.377 0.776 20 0 CCADLP [NH3+]CC[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000420233646 389970084 /nfs/dbraw/zinc/97/00/84/389970084.db2.gz ABYAUQPHOYSNOF-ZDUSSCGKSA-N 2 2 291.399 0.878 20 0 CCADLP [NH3+]CC[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000420233646 389970087 /nfs/dbraw/zinc/97/00/87/389970087.db2.gz ABYAUQPHOYSNOF-ZDUSSCGKSA-N 2 2 291.399 0.878 20 0 CCADLP CCOCC[C@@H](O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000444661020 389912249 /nfs/dbraw/zinc/91/22/49/389912249.db2.gz HABJWHXLAGYJGT-CYBMUJFWSA-N 2 2 282.388 0.330 20 0 CCADLP Cc1nc(N(C)C)nc(NC[C@H]2CCC[C@H]([NH3+])C2)[nH+]1 ZINC000420281760 389977205 /nfs/dbraw/zinc/97/72/05/389977205.db2.gz MPAWBWPLZUEEPG-QWRGUYRKSA-N 2 2 264.377 0.597 20 0 CCADLP Cc1nc(NC[C@H]2CCC[C@H]([NH3+])C2)nc(N(C)C)[nH+]1 ZINC000420281760 389977207 /nfs/dbraw/zinc/97/72/07/389977207.db2.gz MPAWBWPLZUEEPG-QWRGUYRKSA-N 2 2 264.377 0.597 20 0 CCADLP COC(=O)c1cc2cc(C[N@H+](CC[NH3+])CCO)ccc2o1 ZINC000420303966 389980710 /nfs/dbraw/zinc/98/07/10/389980710.db2.gz IDSFXUWGSCSUPQ-UHFFFAOYSA-N 2 2 292.335 0.972 20 0 CCADLP COC(=O)c1cc2cc(C[N@@H+](CC[NH3+])CCO)ccc2o1 ZINC000420303966 389980711 /nfs/dbraw/zinc/98/07/11/389980711.db2.gz IDSFXUWGSCSUPQ-UHFFFAOYSA-N 2 2 292.335 0.972 20 0 CCADLP C[N@H+](CC(=O)N1CCO[C@H]2CCCC[C@H]21)C1CC([NH3+])C1 ZINC000420340825 389986146 /nfs/dbraw/zinc/98/61/46/389986146.db2.gz UPETVWNGJXLVCG-PQAZSJQKSA-N 2 2 281.400 0.578 20 0 CCADLP C[N@@H+](CC(=O)N1CCO[C@H]2CCCC[C@H]21)C1CC([NH3+])C1 ZINC000420340825 389986149 /nfs/dbraw/zinc/98/61/49/389986149.db2.gz UPETVWNGJXLVCG-PQAZSJQKSA-N 2 2 281.400 0.578 20 0 CCADLP C[C@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H](C[NH3+])C1 ZINC000420344137 389986966 /nfs/dbraw/zinc/98/69/66/389986966.db2.gz SCHYWSXLCRXUSS-UONOGXRCSA-N 3 2 282.432 0.210 20 0 CCADLP C[C@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H](C[NH3+])C1 ZINC000420344137 389986967 /nfs/dbraw/zinc/98/69/67/389986967.db2.gz SCHYWSXLCRXUSS-UONOGXRCSA-N 3 2 282.432 0.210 20 0 CCADLP C[C@@H](C(=O)NCC1CCCCC1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420350234 389988223 /nfs/dbraw/zinc/98/82/23/389988223.db2.gz GCNKGQPJNSBTQR-WCQYABFASA-N 2 2 271.405 0.323 20 0 CCADLP C[C@@H](C(=O)NCC1CCCCC1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420350234 389988225 /nfs/dbraw/zinc/98/82/25/389988225.db2.gz GCNKGQPJNSBTQR-WCQYABFASA-N 2 2 271.405 0.323 20 0 CCADLP Cc1cccc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)C[NH3+])c1C ZINC000420350524 389988253 /nfs/dbraw/zinc/98/82/53/389988253.db2.gz HFACJHZQGZTNOF-OLZOCXBDSA-N 2 2 279.384 0.882 20 0 CCADLP Cc1cccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])c1C ZINC000420350524 389988255 /nfs/dbraw/zinc/98/82/55/389988255.db2.gz HFACJHZQGZTNOF-OLZOCXBDSA-N 2 2 279.384 0.882 20 0 CCADLP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420351775 389989081 /nfs/dbraw/zinc/98/90/81/389989081.db2.gz KXAXNJOTNMWBLB-GWCFXTLKSA-N 2 2 299.802 0.596 20 0 CCADLP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420351775 389989083 /nfs/dbraw/zinc/98/90/83/389989083.db2.gz KXAXNJOTNMWBLB-GWCFXTLKSA-N 2 2 299.802 0.596 20 0 CCADLP CCc1ccc([C@@H](C)NC(=O)C[N@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000420352802 389989715 /nfs/dbraw/zinc/98/97/15/389989715.db2.gz MUKJDKAGPNJKND-DOMZBBRYSA-N 2 2 293.411 0.678 20 0 CCADLP CCc1ccc([C@@H](C)NC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000420352802 389989718 /nfs/dbraw/zinc/98/97/18/389989718.db2.gz MUKJDKAGPNJKND-DOMZBBRYSA-N 2 2 293.411 0.678 20 0 CCADLP COC(=O)c1ccc(F)c(C[N@H+](C)C[C@H](O)C[NH3+])c1 ZINC000420356712 389990647 /nfs/dbraw/zinc/99/06/47/389990647.db2.gz RILYBXZKZBXHNS-LLVKDONJSA-N 2 2 270.304 0.364 20 0 CCADLP COC(=O)c1ccc(F)c(C[N@@H+](C)C[C@H](O)C[NH3+])c1 ZINC000420356712 389990649 /nfs/dbraw/zinc/99/06/49/389990649.db2.gz RILYBXZKZBXHNS-LLVKDONJSA-N 2 2 270.304 0.364 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420356488 389990683 /nfs/dbraw/zinc/99/06/83/389990683.db2.gz CQBFAAYLWNUIGY-WISYIIOYSA-N 2 2 284.404 0.585 20 0 CCADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420358334 389990953 /nfs/dbraw/zinc/99/09/53/389990953.db2.gz ILAGACBRGCYDKJ-HRCADAONSA-N 3 2 291.439 0.895 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000420361708 389992283 /nfs/dbraw/zinc/99/22/83/389992283.db2.gz IGLSLROSCWLZAA-OXHZDVMGSA-N 2 2 291.399 0.502 20 0 CCADLP [NH3+]C[C@H]([NH2+]CC(=O)NC[C@@H]1CCCO1)C1CCCCC1 ZINC000420369742 389993060 /nfs/dbraw/zinc/99/30/60/389993060.db2.gz OLYMPSQLYSLNTB-KBPBESRZSA-N 2 2 283.416 0.779 20 0 CCADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)Nc1ccncc1 ZINC000420367505 389993151 /nfs/dbraw/zinc/99/31/51/389993151.db2.gz SPPWSSRLHPANTC-LBPRGKRZSA-N 2 2 262.357 0.420 20 0 CCADLP CCCCOCCNC(=O)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420368581 389993248 /nfs/dbraw/zinc/99/32/48/389993248.db2.gz NRHDULOUIOAXPM-GZBFAFLISA-N 2 2 285.432 0.895 20 0 CCADLP C[NH2+]CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000420391684 389996311 /nfs/dbraw/zinc/99/63/11/389996311.db2.gz TUGYYKJKBCTNNP-NSHDSACASA-N 2 2 292.383 0.654 20 0 CCADLP C[NH2+]CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000420391684 389996312 /nfs/dbraw/zinc/99/63/12/389996312.db2.gz TUGYYKJKBCTNNP-NSHDSACASA-N 2 2 292.383 0.654 20 0 CCADLP CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420397273 389996470 /nfs/dbraw/zinc/99/64/70/389996470.db2.gz XAILBDJTMSQDSM-HUUCEWRRSA-N 2 2 291.395 0.866 20 0 CCADLP CN(C)C(=O)[C@@H](c1ccccc1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420397273 389996475 /nfs/dbraw/zinc/99/64/75/389996475.db2.gz XAILBDJTMSQDSM-HUUCEWRRSA-N 2 2 291.395 0.866 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)n(C)n1 ZINC000420405430 389997593 /nfs/dbraw/zinc/99/75/93/389997593.db2.gz MVSDJIKWUPNVSG-PWSUYJOCSA-N 2 2 279.388 0.584 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)n(C)n1 ZINC000420405430 389997595 /nfs/dbraw/zinc/99/75/95/389997595.db2.gz MVSDJIKWUPNVSG-PWSUYJOCSA-N 2 2 279.388 0.584 20 0 CCADLP CC[NH+]1C[C@@H](C)N(CCC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000459472514 390075171 /nfs/dbraw/zinc/07/51/71/390075171.db2.gz XLEYZUOKHQWUOO-HUUCEWRRSA-N 2 2 296.459 0.565 20 0 CCADLP CCN1C[C@@H](C)[NH+](CCC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000459472514 390075172 /nfs/dbraw/zinc/07/51/72/390075172.db2.gz XLEYZUOKHQWUOO-HUUCEWRRSA-N 2 2 296.459 0.565 20 0 CCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000478950856 390081036 /nfs/dbraw/zinc/08/10/36/390081036.db2.gz BTEUOAMEUJDJCW-IHRRRGAJSA-N 2 2 282.432 0.127 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C/C=C\c1ccncc1 ZINC000487304655 390085522 /nfs/dbraw/zinc/08/55/22/390085522.db2.gz DMZHDUVFTIVJCY-ABCZVMIZSA-N 2 2 260.385 0.930 20 0 CCADLP Cc1nc(NC[C@@H]2CC[N@@H+](C)C2)nc(N(C)C)[nH+]1 ZINC000488402001 390093533 /nfs/dbraw/zinc/09/35/33/390093533.db2.gz WWUDSWPPTSFPTH-JTQLQIEISA-N 2 2 250.350 0.032 20 0 CCADLP Cc1nc(N(C)C)nc(NC[C@@H]2CC[N@H+](C)C2)[nH+]1 ZINC000488402001 390093534 /nfs/dbraw/zinc/09/35/34/390093534.db2.gz WWUDSWPPTSFPTH-JTQLQIEISA-N 2 2 250.350 0.032 20 0 CCADLP Cc1nc(N(C)C)nc(NC[C@@H]2CC[N@@H+](C)C2)[nH+]1 ZINC000488402001 390093535 /nfs/dbraw/zinc/09/35/35/390093535.db2.gz WWUDSWPPTSFPTH-JTQLQIEISA-N 2 2 250.350 0.032 20 0 CCADLP CSC[C@H](O)C[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000488555821 390094727 /nfs/dbraw/zinc/09/47/27/390094727.db2.gz BOFJEBRRACRMNZ-GFCCVEGCSA-N 2 2 284.429 0.262 20 0 CCADLP O=C(/C=C/c1[nH]cc[nH+]1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000493146441 390119625 /nfs/dbraw/zinc/11/96/25/390119625.db2.gz GYYFPVGNUHYSOO-OWOJBTEDSA-N 2 2 272.312 0.495 20 0 CCADLP Cc1nc(N(C)C)nc(NC[C@@H](C)C[NH+](C)C)[nH+]1 ZINC000489008970 390097423 /nfs/dbraw/zinc/09/74/23/390097423.db2.gz IBFVNUYPRYIKAF-SECBINFHSA-N 2 2 252.366 0.278 20 0 CCADLP Cc1nc(NC[C@@H](C)C[NH+](C)C)nc(N(C)C)[nH+]1 ZINC000489008970 390097424 /nfs/dbraw/zinc/09/74/24/390097424.db2.gz IBFVNUYPRYIKAF-SECBINFHSA-N 2 2 252.366 0.278 20 0 CCADLP C[C@H]([C@H](C)NC(=O)/C=C/c1[nH]cc[nH+]1)[NH+]1CCOCC1 ZINC000493160337 390119833 /nfs/dbraw/zinc/11/98/33/390119833.db2.gz SHNPTIJJCYCUPN-HEKLCECKSA-N 2 2 278.356 0.648 20 0 CCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)NCCc1cn(C)c[nH+]1 ZINC000458249615 390054632 /nfs/dbraw/zinc/05/46/32/390054632.db2.gz ZFDLHNHOERVQSH-GFCCVEGCSA-N 2 2 281.404 0.992 20 0 CCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCCc1cn(C)c[nH+]1 ZINC000458249615 390054633 /nfs/dbraw/zinc/05/46/33/390054633.db2.gz ZFDLHNHOERVQSH-GFCCVEGCSA-N 2 2 281.404 0.992 20 0 CCADLP C[C@H]1[C@H](NC(=O)NCCc2cn(C)c[nH+]2)CCC[N@@H+]1C ZINC000458671403 390061420 /nfs/dbraw/zinc/06/14/20/390061420.db2.gz WWQRIPBPNJADGH-WCQYABFASA-N 2 2 279.388 0.745 20 0 CCADLP C[C@H]1[C@H](NC(=O)NCCc2cn(C)c[nH+]2)CCC[N@H+]1C ZINC000458671403 390061421 /nfs/dbraw/zinc/06/14/21/390061421.db2.gz WWQRIPBPNJADGH-WCQYABFASA-N 2 2 279.388 0.745 20 0 CCADLP O=C(C[N@H+](C1CC1)C1CC[NH2+]CC1)NC[C@H]1CCCO1 ZINC000647815205 390179595 /nfs/dbraw/zinc/17/95/95/390179595.db2.gz UHSNGPFZVPGJNO-CQSZACIVSA-N 2 2 281.400 0.498 20 0 CCADLP O=C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)NC[C@H]1CCCO1 ZINC000647815205 390179599 /nfs/dbraw/zinc/17/95/99/390179599.db2.gz UHSNGPFZVPGJNO-CQSZACIVSA-N 2 2 281.400 0.498 20 0 CCADLP C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000647832302 390185196 /nfs/dbraw/zinc/18/51/96/390185196.db2.gz XNGVQZRQDXMLFV-STQMWFEESA-N 2 2 283.416 0.648 20 0 CCADLP C[C@@H](C(=O)N1CCN(Cc2[nH+]ccn2C)CC1)[C@H](C)[NH3+] ZINC000579588565 390187205 /nfs/dbraw/zinc/18/72/05/390187205.db2.gz BZEFARWIGLODCK-NEPJUHHUSA-N 2 2 279.388 0.048 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493296935 390122754 /nfs/dbraw/zinc/12/27/54/390122754.db2.gz WRTNJBLNNZNLRR-XCUNLHGCSA-N 2 2 290.367 0.745 20 0 CCADLP COCC[NH+]1CCC(NC(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493313779 390123180 /nfs/dbraw/zinc/12/31/80/390123180.db2.gz AZJRIKOHROHHFN-NSCUHMNNSA-N 2 2 278.356 0.650 20 0 CCADLP C[NH+](C)C1(CNC(=O)/C=C/c2[nH]cc[nH+]2)CCOCC1 ZINC000493447975 390125814 /nfs/dbraw/zinc/12/58/14/390125814.db2.gz FKNRZMZPNUDHHH-ONEGZZNKSA-N 2 2 278.356 0.650 20 0 CCADLP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@](C)(O)C[NH2+]C)C1 ZINC000578994834 390132776 /nfs/dbraw/zinc/13/27/76/390132776.db2.gz ZMRCZWXGDRZIPU-ZIAGYGMSSA-N 3 2 257.422 0.621 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@](C)(O)C[NH2+]C)C1 ZINC000578994834 390132779 /nfs/dbraw/zinc/13/27/79/390132779.db2.gz ZMRCZWXGDRZIPU-ZIAGYGMSSA-N 3 2 257.422 0.621 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000578994834 390132782 /nfs/dbraw/zinc/13/27/82/390132782.db2.gz ZMRCZWXGDRZIPU-ZIAGYGMSSA-N 3 2 257.422 0.621 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000578994834 390132784 /nfs/dbraw/zinc/13/27/84/390132784.db2.gz ZMRCZWXGDRZIPU-ZIAGYGMSSA-N 3 2 257.422 0.621 20 0 CCADLP C[NH+](C)CC(=O)NCc1nc(C[NH+]2CCCCC2)no1 ZINC000647674219 390135090 /nfs/dbraw/zinc/13/50/90/390135090.db2.gz LNJAPLIYZRUUEI-UHFFFAOYSA-N 2 2 281.360 0.233 20 0 CCADLP COC(=O)C[N@@H+]1CCC[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC000579059363 390138271 /nfs/dbraw/zinc/13/82/71/390138271.db2.gz HHDZMSJYAWJOGD-LBPRGKRZSA-N 2 2 278.356 0.504 20 0 CCADLP COC(=O)C[N@H+]1CCC[C@@H](CNc2cc[nH+]c(C)n2)C1 ZINC000579059363 390138277 /nfs/dbraw/zinc/13/82/77/390138277.db2.gz HHDZMSJYAWJOGD-LBPRGKRZSA-N 2 2 278.356 0.504 20 0 CCADLP O=C(CC[C@H]1CCC[NH2+]1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000494651099 390189609 /nfs/dbraw/zinc/18/96/09/390189609.db2.gz FTVWUXKTCMKAGP-CABCVRRESA-N 2 2 295.427 0.842 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536069283 390157099 /nfs/dbraw/zinc/15/70/99/390157099.db2.gz YYMXPYDUWXPFBV-STQMWFEESA-N 2 2 294.399 0.751 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536069283 390157102 /nfs/dbraw/zinc/15/71/02/390157102.db2.gz YYMXPYDUWXPFBV-STQMWFEESA-N 2 2 294.399 0.751 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)CCC[NH3+])c1ccccc1 ZINC000647847327 390191526 /nfs/dbraw/zinc/19/15/26/390191526.db2.gz JORNXQATRZMIKD-HNNXBMFYSA-N 3 2 292.427 0.686 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)CCC[NH3+])c1ccccc1 ZINC000647847327 390191527 /nfs/dbraw/zinc/19/15/27/390191527.db2.gz JORNXQATRZMIKD-HNNXBMFYSA-N 3 2 292.427 0.686 20 0 CCADLP Cc1nc(NCC2=CC[N@H+](C)CC2)nc(N(C)C)[nH+]1 ZINC000537192177 390175521 /nfs/dbraw/zinc/17/55/21/390175521.db2.gz SQCAGWYCHGJEFD-UHFFFAOYSA-N 2 2 262.361 0.342 20 0 CCADLP Cc1nc(NCC2=CC[N@@H+](C)CC2)nc(N(C)C)[nH+]1 ZINC000537192177 390175525 /nfs/dbraw/zinc/17/55/25/390175525.db2.gz SQCAGWYCHGJEFD-UHFFFAOYSA-N 2 2 262.361 0.342 20 0 CCADLP Cc1nc(N(C)C)nc(NCC2=CC[N@H+](C)CC2)[nH+]1 ZINC000537192177 390175527 /nfs/dbraw/zinc/17/55/27/390175527.db2.gz SQCAGWYCHGJEFD-UHFFFAOYSA-N 2 2 262.361 0.342 20 0 CCADLP Cc1nc(N(C)C)nc(NCC2=CC[N@@H+](C)CC2)[nH+]1 ZINC000537192177 390175530 /nfs/dbraw/zinc/17/55/30/390175530.db2.gz SQCAGWYCHGJEFD-UHFFFAOYSA-N 2 2 262.361 0.342 20 0 CCADLP CC(C)Cn1cc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000579473431 390176682 /nfs/dbraw/zinc/17/66/82/390176682.db2.gz VELKBYVXMPHRFR-AWEZNQCLSA-N 2 2 265.405 0.614 20 0 CCADLP CC(C)Cn1cc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000579473431 390176686 /nfs/dbraw/zinc/17/66/86/390176686.db2.gz VELKBYVXMPHRFR-AWEZNQCLSA-N 2 2 265.405 0.614 20 0 CCADLP C[NH2+]CC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000281526727 195275235 /nfs/dbraw/zinc/27/52/35/195275235.db2.gz VMRGOBZPSSKHDC-CYBMUJFWSA-N 2 2 276.315 0.984 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000527743003 285362740 /nfs/dbraw/zinc/36/27/40/285362740.db2.gz HFBYMDHRNLQCOZ-UHFFFAOYSA-N 2 2 299.378 0.931 20 0 CCADLP CNC(=O)NC(=O)CC[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000579733538 390206373 /nfs/dbraw/zinc/20/63/73/390206373.db2.gz KUKZTDTYUDGSBK-UHFFFAOYSA-N 2 2 268.361 0.035 20 0 CCADLP CNC(=O)NC(=O)CC[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000579733538 390206379 /nfs/dbraw/zinc/20/63/79/390206379.db2.gz KUKZTDTYUDGSBK-UHFFFAOYSA-N 2 2 268.361 0.035 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC(=O)Nc1ccccn1 ZINC000539715707 390208831 /nfs/dbraw/zinc/20/88/31/390208831.db2.gz OZVIWNMKTQTYLF-RYUDHWBXSA-N 2 2 262.357 0.950 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC(=O)Nc1ccccn1 ZINC000539715707 390208835 /nfs/dbraw/zinc/20/88/35/390208835.db2.gz OZVIWNMKTQTYLF-RYUDHWBXSA-N 2 2 262.357 0.950 20 0 CCADLP CCC[N@H+](CC(=O)Nc1ccon1)C1CC[NH2+]CC1 ZINC000647894914 390209638 /nfs/dbraw/zinc/20/96/38/390209638.db2.gz LCXGODBUWQDNCP-UHFFFAOYSA-N 2 2 266.345 0.499 20 0 CCADLP CCC[N@@H+](CC(=O)Nc1ccon1)C1CC[NH2+]CC1 ZINC000647894914 390209643 /nfs/dbraw/zinc/20/96/43/390209643.db2.gz LCXGODBUWQDNCP-UHFFFAOYSA-N 2 2 266.345 0.499 20 0 CCADLP COC[C@H]1CCC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000647891583 390209932 /nfs/dbraw/zinc/20/99/32/390209932.db2.gz TVKYCSGOAKTRPW-SECBINFHSA-N 2 2 254.334 0.874 20 0 CCADLP COC[C@H]1CCC[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000647891583 390209936 /nfs/dbraw/zinc/20/99/36/390209936.db2.gz TVKYCSGOAKTRPW-SECBINFHSA-N 2 2 254.334 0.874 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903985 390212430 /nfs/dbraw/zinc/21/24/30/390212430.db2.gz UNWJDMZLHJJPOW-QWHCGFSZSA-N 2 2 289.445 0.390 20 0 CCADLP CCS(=O)(=O)NCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903985 390212437 /nfs/dbraw/zinc/21/24/37/390212437.db2.gz UNWJDMZLHJJPOW-QWHCGFSZSA-N 2 2 289.445 0.390 20 0 CCADLP C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000647906737 390213481 /nfs/dbraw/zinc/21/34/81/390213481.db2.gz WSMFOLQZOFNTRU-IVZWLZJFSA-N 2 2 279.392 0.080 20 0 CCADLP C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000647906737 390213486 /nfs/dbraw/zinc/21/34/86/390213486.db2.gz WSMFOLQZOFNTRU-IVZWLZJFSA-N 2 2 279.392 0.080 20 0 CCADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC[C@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000647940169 390222995 /nfs/dbraw/zinc/22/29/95/390222995.db2.gz OKWVJXRPWZLFQC-SYQHCUMBSA-N 2 2 283.416 0.729 20 0 CCADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)NC[C@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000647940169 390222997 /nfs/dbraw/zinc/22/29/97/390222997.db2.gz OKWVJXRPWZLFQC-SYQHCUMBSA-N 2 2 283.416 0.729 20 0 CCADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ncccn2)CC[C@@H]1[NH3+] ZINC000647940082 390223318 /nfs/dbraw/zinc/22/33/18/390223318.db2.gz LQSWRDORKQVYCP-TUAOUCFPSA-N 2 2 277.372 0.863 20 0 CCADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ncccn2)CC[C@@H]1[NH3+] ZINC000647940082 390223323 /nfs/dbraw/zinc/22/33/23/390223323.db2.gz LQSWRDORKQVYCP-TUAOUCFPSA-N 2 2 277.372 0.863 20 0 CCADLP C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+](C)CCC[NH3+] ZINC000647849508 390192514 /nfs/dbraw/zinc/19/25/14/390192514.db2.gz VWJRSBYEXZNZJE-LLVKDONJSA-N 2 2 290.367 0.641 20 0 CCADLP C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+](C)CCC[NH3+] ZINC000647849508 390192515 /nfs/dbraw/zinc/19/25/15/390192515.db2.gz VWJRSBYEXZNZJE-LLVKDONJSA-N 2 2 290.367 0.641 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@]23CCc2ccccc23)[C@@H](C[NH3+])C1 ZINC000580324094 390238525 /nfs/dbraw/zinc/23/85/25/390238525.db2.gz YUCYOMKGGZPAGX-QILLFSRXSA-N 2 2 299.418 0.992 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2C[C@@]23CCc2ccccc23)[C@@H](C[NH3+])C1 ZINC000580324094 390238528 /nfs/dbraw/zinc/23/85/28/390238528.db2.gz YUCYOMKGGZPAGX-QILLFSRXSA-N 2 2 299.418 0.992 20 0 CCADLP CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCC[NH2+]C ZINC000647995239 390244190 /nfs/dbraw/zinc/24/41/90/390244190.db2.gz IRSDALFGDGMYIL-AWEZNQCLSA-N 2 2 261.369 0.769 20 0 CCADLP CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1CCC[NH2+]C ZINC000647995239 390244191 /nfs/dbraw/zinc/24/41/91/390244191.db2.gz IRSDALFGDGMYIL-AWEZNQCLSA-N 2 2 261.369 0.769 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1CNC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000644559504 390252989 /nfs/dbraw/zinc/25/29/89/390252989.db2.gz ANHSDEJCRUUBMF-CVEARBPZSA-N 2 2 298.475 0.059 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1CNC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000644559504 390252991 /nfs/dbraw/zinc/25/29/91/390252991.db2.gz ANHSDEJCRUUBMF-CVEARBPZSA-N 2 2 298.475 0.059 20 0 CCADLP C[N@@H+]1C[C@H]2CCN(CCC[NH+]3CCOCC3)[C@@H]2C1 ZINC000644730007 390296923 /nfs/dbraw/zinc/29/69/23/390296923.db2.gz OOPYBCNXQVWAOD-ZIAGYGMSSA-N 2 2 253.390 0.345 20 0 CCADLP C[N@H+]1C[C@H]2CCN(CCC[NH+]3CCOCC3)[C@@H]2C1 ZINC000644730007 390296925 /nfs/dbraw/zinc/29/69/25/390296925.db2.gz OOPYBCNXQVWAOD-ZIAGYGMSSA-N 2 2 253.390 0.345 20 0 CCADLP CN1CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)C1=O ZINC000644572282 390256143 /nfs/dbraw/zinc/25/61/43/390256143.db2.gz YJDQFTFHXNXNMI-LSDHHAIUSA-N 2 2 291.395 0.300 20 0 CCADLP CN1CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1=O ZINC000644572282 390256147 /nfs/dbraw/zinc/25/61/47/390256147.db2.gz YJDQFTFHXNXNMI-LSDHHAIUSA-N 2 2 291.395 0.300 20 0 CCADLP CC[N@@H+]1C[C@H](C)N(C(=O)[C@H](C)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000542650327 390265664 /nfs/dbraw/zinc/26/56/64/390265664.db2.gz NOZIODRRMRZRFV-KKUMJFAQSA-N 2 2 296.459 0.563 20 0 CCADLP CC[N@H+]1C[C@H](C)N(C(=O)[C@H](C)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000542650327 390265666 /nfs/dbraw/zinc/26/56/66/390265666.db2.gz NOZIODRRMRZRFV-KKUMJFAQSA-N 2 2 296.459 0.563 20 0 CCADLP c1cn(CCNc2cc[nH+]c(N3CCOCC3)n2)c[nH+]1 ZINC000542766548 390269289 /nfs/dbraw/zinc/26/92/89/390269289.db2.gz XTZNPEBDPSDJNO-UHFFFAOYSA-N 2 2 274.328 0.044 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1c1nc(=N)n(C)[nH]1 ZINC000583271204 390279635 /nfs/dbraw/zinc/27/96/35/390279635.db2.gz VWPVVCURPYSJBE-LBPRGKRZSA-N 2 2 289.387 0.731 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1c1nc(=N)n(C)[nH]1 ZINC000583271204 390279636 /nfs/dbraw/zinc/27/96/36/390279636.db2.gz VWPVVCURPYSJBE-LBPRGKRZSA-N 2 2 289.387 0.731 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000648152239 390314254 /nfs/dbraw/zinc/31/42/54/390314254.db2.gz AWMQRUPENSFIBW-NSHDSACASA-N 2 2 291.342 0.022 20 0 CCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648158717 390319236 /nfs/dbraw/zinc/31/92/36/390319236.db2.gz WHVGJBKXKZJHQH-XQHKEYJVSA-N 2 2 272.352 0.527 20 0 CCADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC000644813866 390321118 /nfs/dbraw/zinc/32/11/18/390321118.db2.gz DIJLDLZNTVQLLR-STQMWFEESA-N 2 2 262.357 0.826 20 0 CCADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC000644813866 390321121 /nfs/dbraw/zinc/32/11/21/390321121.db2.gz DIJLDLZNTVQLLR-STQMWFEESA-N 2 2 262.357 0.826 20 0 CCADLP [NH3+]Cc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2ccncc2)o1 ZINC000648176680 390330182 /nfs/dbraw/zinc/33/01/82/390330182.db2.gz HUOUWSWTBXTCJA-CYBMUJFWSA-N 2 2 286.335 0.920 20 0 CCADLP COC1(CO)CC[NH+](Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000644903458 390342530 /nfs/dbraw/zinc/34/25/30/390342530.db2.gz QNLHTWPUHQYMCH-UHFFFAOYSA-N 2 2 282.388 0.459 20 0 CCADLP CO[C@@H](C)C[N@H+](C)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496559455 390355133 /nfs/dbraw/zinc/35/51/33/390355133.db2.gz QINOAYAPMCNIKF-WFASDCNBSA-N 2 2 297.399 0.827 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496559455 390355136 /nfs/dbraw/zinc/35/51/36/390355136.db2.gz QINOAYAPMCNIKF-WFASDCNBSA-N 2 2 297.399 0.827 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCCC(=O)OC)[C@H](C)C1 ZINC000175723642 285369397 /nfs/dbraw/zinc/36/93/97/285369397.db2.gz KQLQGSRUOVTSPX-CHWSQXEVSA-N 2 2 299.415 0.328 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCCC(=O)OC)[C@H](C)C1 ZINC000175723642 285369399 /nfs/dbraw/zinc/36/93/99/285369399.db2.gz KQLQGSRUOVTSPX-CHWSQXEVSA-N 2 2 299.415 0.328 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCCC(=O)OC)[C@H](C)C1 ZINC000175723642 285369401 /nfs/dbraw/zinc/36/94/01/285369401.db2.gz KQLQGSRUOVTSPX-CHWSQXEVSA-N 2 2 299.415 0.328 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCCC(=O)OC)[C@H](C)C1 ZINC000175723642 285369402 /nfs/dbraw/zinc/36/94/02/285369402.db2.gz KQLQGSRUOVTSPX-CHWSQXEVSA-N 2 2 299.415 0.328 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCOCC2(C)C)CC[N@@H+]1C ZINC000648767274 390404582 /nfs/dbraw/zinc/40/45/82/390404582.db2.gz IZKAWWWQCKDADM-CHWSQXEVSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCOCC2(C)C)CC[N@H+]1C ZINC000648767274 390404585 /nfs/dbraw/zinc/40/45/85/390404585.db2.gz IZKAWWWQCKDADM-CHWSQXEVSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[N@@H+]2CCOCC2(C)C)CC[NH+]1C ZINC000648767274 390404586 /nfs/dbraw/zinc/40/45/86/390404586.db2.gz IZKAWWWQCKDADM-CHWSQXEVSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[N@H+]2CCOCC2(C)C)CC[NH+]1C ZINC000648767274 390404589 /nfs/dbraw/zinc/40/45/89/390404589.db2.gz IZKAWWWQCKDADM-CHWSQXEVSA-N 2 2 283.416 0.554 20 0 CCADLP Cc1nc(N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c(C)c(C)[nH+]1 ZINC000645360521 390414812 /nfs/dbraw/zinc/41/48/12/390414812.db2.gz KFGOBZAJILXVLS-GFCCVEGCSA-N 2 2 291.399 0.958 20 0 CCADLP CCc1cc(N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)nc(C)[nH+]1 ZINC000645361773 390414820 /nfs/dbraw/zinc/41/48/20/390414820.db2.gz YGBPDUOIZUHYSH-NSHDSACASA-N 2 2 291.399 0.904 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000554142924 390422387 /nfs/dbraw/zinc/42/23/87/390422387.db2.gz ZJMNKJCSMFDZPO-AWEZNQCLSA-N 2 2 262.357 0.517 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000554142924 390422391 /nfs/dbraw/zinc/42/23/91/390422391.db2.gz ZJMNKJCSMFDZPO-AWEZNQCLSA-N 2 2 262.357 0.517 20 0 CCADLP CC1(C)C[NH2+][C@H]1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000645169897 390380977 /nfs/dbraw/zinc/38/09/77/390380977.db2.gz YXQGYCXKXZXJPK-ZDUSSCGKSA-N 2 2 274.368 0.728 20 0 CCADLP C[C@H]1CCC[N@H+](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC000547539652 390382437 /nfs/dbraw/zinc/38/24/37/390382437.db2.gz DXAVVZXUHPSLHM-LBPRGKRZSA-N 2 2 264.373 0.811 20 0 CCADLP C[C@H]1CCC[N@@H+](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC000547539652 390382440 /nfs/dbraw/zinc/38/24/40/390382440.db2.gz DXAVVZXUHPSLHM-LBPRGKRZSA-N 2 2 264.373 0.811 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000496996257 390399542 /nfs/dbraw/zinc/39/95/42/390399542.db2.gz LHFUXVGVGGCHBS-RYUDHWBXSA-N 2 2 273.377 0.072 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000496996257 390399547 /nfs/dbraw/zinc/39/95/47/390399547.db2.gz LHFUXVGVGGCHBS-RYUDHWBXSA-N 2 2 273.377 0.072 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000496996257 390399549 /nfs/dbraw/zinc/39/95/49/390399549.db2.gz LHFUXVGVGGCHBS-RYUDHWBXSA-N 2 2 273.377 0.072 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000496996257 390399553 /nfs/dbraw/zinc/39/95/53/390399553.db2.gz LHFUXVGVGGCHBS-RYUDHWBXSA-N 2 2 273.377 0.072 20 0 CCADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000565421036 390512430 /nfs/dbraw/zinc/51/24/30/390512430.db2.gz SUXMXJDEVOLBFU-NEPJUHHUSA-N 2 2 286.420 0.522 20 0 CCADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000565421036 390512434 /nfs/dbraw/zinc/51/24/34/390512434.db2.gz SUXMXJDEVOLBFU-NEPJUHHUSA-N 2 2 286.420 0.522 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000565421039 390512698 /nfs/dbraw/zinc/51/26/98/390512698.db2.gz SUXMXJDEVOLBFU-RYUDHWBXSA-N 2 2 286.420 0.522 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000565421039 390512702 /nfs/dbraw/zinc/51/27/02/390512702.db2.gz SUXMXJDEVOLBFU-RYUDHWBXSA-N 2 2 286.420 0.522 20 0 CCADLP Cc1cc(CNC(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)cc(C)[nH+]1 ZINC000643439283 390447249 /nfs/dbraw/zinc/44/72/49/390447249.db2.gz JEXQMKSPNHCGEC-TZMCWYRMSA-N 2 2 292.383 0.956 20 0 CCADLP C[C@@H](Nc1ccc(N(C)CCO)c[nH+]1)[C@H]1CC[NH2+]C1 ZINC000643478600 390453497 /nfs/dbraw/zinc/45/34/97/390453497.db2.gz LIICLHIYIZFKOY-NEPJUHHUSA-N 2 2 264.373 0.920 20 0 CCADLP C[NH+](C)C[C@@H]1C[N@H+](C[C@H]2CCCC[C@H]2O)CCO1 ZINC000514733783 390468725 /nfs/dbraw/zinc/46/87/25/390468725.db2.gz ORJSQIOGLLUCCB-MGPQQGTHSA-N 2 2 256.390 0.800 20 0 CCADLP C[NH+](C)C[C@@H]1C[N@@H+](C[C@H]2CCCC[C@H]2O)CCO1 ZINC000514733783 390468731 /nfs/dbraw/zinc/46/87/31/390468731.db2.gz ORJSQIOGLLUCCB-MGPQQGTHSA-N 2 2 256.390 0.800 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C(C)(C)O ZINC000514795258 390469905 /nfs/dbraw/zinc/46/99/05/390469905.db2.gz BRAVQBILQAEYTC-QWHCGFSZSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C(C)(C)O ZINC000514795258 390469907 /nfs/dbraw/zinc/46/99/07/390469907.db2.gz BRAVQBILQAEYTC-QWHCGFSZSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1C(C)(C)O ZINC000514795258 390469912 /nfs/dbraw/zinc/46/99/12/390469912.db2.gz BRAVQBILQAEYTC-QWHCGFSZSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1C(C)(C)O ZINC000514795258 390469916 /nfs/dbraw/zinc/46/99/16/390469916.db2.gz BRAVQBILQAEYTC-QWHCGFSZSA-N 2 2 274.405 0.161 20 0 CCADLP Cc1ccnc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000515374450 390475678 /nfs/dbraw/zinc/47/56/78/390475678.db2.gz LMHCEGVMWOTAQV-NSHDSACASA-N 2 2 263.345 0.497 20 0 CCADLP Cc1ccnc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000515374450 390475680 /nfs/dbraw/zinc/47/56/80/390475680.db2.gz LMHCEGVMWOTAQV-NSHDSACASA-N 2 2 263.345 0.497 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+][C@H]2CC2(C)C)C[C@@H](C)O1 ZINC000520569059 390580061 /nfs/dbraw/zinc/58/00/61/390580061.db2.gz RIPOVTJWOJCBBC-NDBYEHHHSA-N 2 2 256.390 0.845 20 0 CCADLP C[C@H](NC(=O)[C@]1(C)CCC[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000649323147 390580806 /nfs/dbraw/zinc/58/08/06/390580806.db2.gz IZVZTVXXNQBJOG-OBJOEFQTSA-N 2 2 269.389 0.354 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)C[C@@H](C)O1 ZINC000566123983 390582159 /nfs/dbraw/zinc/58/21/59/390582159.db2.gz FWCRVFJUMVFNJL-MBIARJLFSA-N 2 2 268.401 0.845 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649209441 390522853 /nfs/dbraw/zinc/52/28/53/390522853.db2.gz ZXVPSKLBAMRGAE-VXGBXAGGSA-N 2 2 273.340 0.847 20 0 CCADLP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000649211613 390524616 /nfs/dbraw/zinc/52/46/16/390524616.db2.gz XIMRSGPDWHMJPJ-OLZOCXBDSA-N 2 2 276.384 0.904 20 0 CCADLP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000649211613 390524620 /nfs/dbraw/zinc/52/46/20/390524620.db2.gz XIMRSGPDWHMJPJ-OLZOCXBDSA-N 2 2 276.384 0.904 20 0 CCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649215667 390526565 /nfs/dbraw/zinc/52/65/65/390526565.db2.gz WENAIBSOPAPVLP-JHJVBQTASA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649215667 390526569 /nfs/dbraw/zinc/52/65/69/390526569.db2.gz WENAIBSOPAPVLP-JHJVBQTASA-N 2 2 276.384 0.997 20 0 CCADLP CC(C)[NH2+]CCC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000645932718 390534706 /nfs/dbraw/zinc/53/47/06/390534706.db2.gz BOQGGOPYDXYJME-GFCCVEGCSA-N 2 2 257.378 0.211 20 0 CCADLP CC(C)[NH2+]CCC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000645932718 390534710 /nfs/dbraw/zinc/53/47/10/390534710.db2.gz BOQGGOPYDXYJME-GFCCVEGCSA-N 2 2 257.378 0.211 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@H]2CCCC2(F)F)[C@@H](C[NH3+])C1 ZINC000519756125 390538165 /nfs/dbraw/zinc/53/81/65/390538165.db2.gz SAJJSFMEZRIKRA-MNOVXSKESA-N 2 2 290.358 0.706 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@H]2CCCC2(F)F)[C@@H](C[NH3+])C1 ZINC000519756125 390538169 /nfs/dbraw/zinc/53/81/69/390538169.db2.gz SAJJSFMEZRIKRA-MNOVXSKESA-N 2 2 290.358 0.706 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@H](C)[NH+]2CC(C)C2)[C@@H](C)C1 ZINC000565726985 390540827 /nfs/dbraw/zinc/54/08/27/390540827.db2.gz XMISPSPASJZBAD-STQMWFEESA-N 2 2 253.390 0.879 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@H](C)[NH+]2CC(C)C2)[C@@H](C)C1 ZINC000565726985 390540829 /nfs/dbraw/zinc/54/08/29/390540829.db2.gz XMISPSPASJZBAD-STQMWFEESA-N 2 2 253.390 0.879 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000519834159 390552446 /nfs/dbraw/zinc/55/24/46/390552446.db2.gz QBFGEWQTVVNMBL-VXGBXAGGSA-N 2 2 250.346 0.728 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3CC[NH2+]CC3)C2)CC1 ZINC000645977461 390555921 /nfs/dbraw/zinc/55/59/21/390555921.db2.gz ACHISQQMMKOBQY-AWEZNQCLSA-N 3 2 294.443 0.271 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3CC[NH2+]CC3)C2)CC1 ZINC000645977461 390555924 /nfs/dbraw/zinc/55/59/24/390555924.db2.gz ACHISQQMMKOBQY-AWEZNQCLSA-N 3 2 294.443 0.271 20 0 CCADLP CC(C)[NH+]1CCC(O)(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC000520301194 390566728 /nfs/dbraw/zinc/56/67/28/390566728.db2.gz NYBUAJAEPRKMFY-UHFFFAOYSA-N 2 2 280.372 0.235 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000649306307 390566949 /nfs/dbraw/zinc/56/69/49/390566949.db2.gz LJIUIHZUNGJLJB-GFCCVEGCSA-N 2 2 261.369 0.974 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)C2([NH3+])CCCC2)CCO1 ZINC000649312492 390571871 /nfs/dbraw/zinc/57/18/71/390571871.db2.gz VBTKFLBTBCFEGE-NSHDSACASA-N 2 2 255.362 0.095 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)C2([NH3+])CCCC2)CCO1 ZINC000649312492 390571875 /nfs/dbraw/zinc/57/18/75/390571875.db2.gz VBTKFLBTBCFEGE-NSHDSACASA-N 2 2 255.362 0.095 20 0 CCADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)CC2(C[NH3+])CC2)no1 ZINC000520404243 390572468 /nfs/dbraw/zinc/57/24/68/390572468.db2.gz XEILZTCTVQFQHT-UHFFFAOYSA-N 2 2 295.387 0.612 20 0 CCADLP C[C@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)C1CC[NH+](C)CC1 ZINC000649314913 390573544 /nfs/dbraw/zinc/57/35/44/390573544.db2.gz WRLTZRLFJRICSP-GXSJLCMTSA-N 2 2 275.343 0.830 20 0 CCADLP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@H]1COCC[NH2+]1 ZINC000649319269 390577503 /nfs/dbraw/zinc/57/75/03/390577503.db2.gz UDUMPAZZPUOHBO-GFCCVEGCSA-N 2 2 273.296 0.194 20 0 CCADLP C[NH2+]CCC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000646033383 390577931 /nfs/dbraw/zinc/57/79/31/390577931.db2.gz HDTUJCDSLJAMMS-UHFFFAOYSA-N 2 2 272.352 0.794 20 0 CCADLP C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000566505908 390624562 /nfs/dbraw/zinc/62/45/62/390624562.db2.gz UZZFDHWWQXNGHI-IUCAKERBSA-N 2 2 275.312 0.125 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NCC[NH+]1CCO[C@H](C)C1 ZINC000523093494 390633957 /nfs/dbraw/zinc/63/39/57/390633957.db2.gz WASXQSYCTNOWLX-GFCCVEGCSA-N 2 2 257.378 0.164 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NCC[NH+]1CCO[C@H](C)C1 ZINC000523093494 390633958 /nfs/dbraw/zinc/63/39/58/390633958.db2.gz WASXQSYCTNOWLX-GFCCVEGCSA-N 2 2 257.378 0.164 20 0 CCADLP CC(C)[NH+](C)CC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000523093494 390633959 /nfs/dbraw/zinc/63/39/59/390633959.db2.gz WASXQSYCTNOWLX-GFCCVEGCSA-N 2 2 257.378 0.164 20 0 CCADLP CC(C)[NH+](C)CC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000523093494 390633960 /nfs/dbraw/zinc/63/39/60/390633960.db2.gz WASXQSYCTNOWLX-GFCCVEGCSA-N 2 2 257.378 0.164 20 0 CCADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103783 390597636 /nfs/dbraw/zinc/59/76/36/390597636.db2.gz OLECDRLQUJUANX-AWEZNQCLSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)CNC(=O)[C@H](C)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103783 390597641 /nfs/dbraw/zinc/59/76/41/390597641.db2.gz OLECDRLQUJUANX-AWEZNQCLSA-N 2 2 297.443 0.944 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+]C(C)(C)c1cnn(C)c1 ZINC000566416868 390601066 /nfs/dbraw/zinc/60/10/66/390601066.db2.gz PXUXGPRAWFTSGJ-GFCCVEGCSA-N 2 2 254.378 0.557 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)c1cnn(C)c1 ZINC000566416868 390601068 /nfs/dbraw/zinc/60/10/68/390601068.db2.gz PXUXGPRAWFTSGJ-GFCCVEGCSA-N 2 2 254.378 0.557 20 0 CCADLP Cc1cccn2cc(CC(=O)NCC3C[NH2+]C3)[nH+]c12 ZINC000649354383 390604109 /nfs/dbraw/zinc/60/41/09/390604109.db2.gz GBUOCQYICWSPCU-UHFFFAOYSA-N 2 2 258.325 0.521 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](OC)C(C)(C)C1 ZINC000566429556 390604735 /nfs/dbraw/zinc/60/47/35/390604735.db2.gz VPHDCYYFSHCWIO-UONOGXRCSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](OC)C(C)(C)C1 ZINC000566429556 390604740 /nfs/dbraw/zinc/60/47/40/390604740.db2.gz VPHDCYYFSHCWIO-UONOGXRCSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](OC)C(C)(C)C1 ZINC000566429556 390604744 /nfs/dbraw/zinc/60/47/44/390604744.db2.gz VPHDCYYFSHCWIO-UONOGXRCSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](OC)C(C)(C)C1 ZINC000566429556 390604747 /nfs/dbraw/zinc/60/47/47/390604747.db2.gz VPHDCYYFSHCWIO-UONOGXRCSA-N 2 2 288.432 0.672 20 0 CCADLP O=C(NC[C@H]1CCCC[NH2+]1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000646652126 390704203 /nfs/dbraw/zinc/70/42/03/390704203.db2.gz AASVKIUUFQFXKH-HIFRSBDPSA-N 2 2 295.427 0.888 20 0 CCADLP O=C(NC[C@H]1CCCC[NH2+]1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000646652126 390704205 /nfs/dbraw/zinc/70/42/05/390704205.db2.gz AASVKIUUFQFXKH-HIFRSBDPSA-N 2 2 295.427 0.888 20 0 CCADLP CCN1CC[NH+]([C@H]2CCN(C(=O)CC[NH2+]C(C)C)C2)CC1 ZINC000570925585 390724298 /nfs/dbraw/zinc/72/42/98/390724298.db2.gz BTQISCLIJQORHA-HNNXBMFYSA-N 2 2 296.459 0.613 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C(F)(F)F ZINC000646831873 390725322 /nfs/dbraw/zinc/72/53/22/390725322.db2.gz DBGCTFNRYKFYPV-JGVFFNPUSA-N 2 2 253.268 0.286 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C(F)(F)F ZINC000646831873 390725323 /nfs/dbraw/zinc/72/53/23/390725323.db2.gz DBGCTFNRYKFYPV-JGVFFNPUSA-N 2 2 253.268 0.286 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)c2ccc3c(c2)C[NH2+]C3)CCO1 ZINC000567051109 390668517 /nfs/dbraw/zinc/66/85/17/390668517.db2.gz FANLRVMEJNBWAL-GFCCVEGCSA-N 2 2 289.379 0.740 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)c2ccc3c(c2)C[NH2+]C3)CCO1 ZINC000567051109 390668520 /nfs/dbraw/zinc/66/85/20/390668520.db2.gz FANLRVMEJNBWAL-GFCCVEGCSA-N 2 2 289.379 0.740 20 0 CCADLP c1cn(CC[N@H+]2CCC[C@@H](N3CCOCC3)C2)c[nH+]1 ZINC000567119096 390673129 /nfs/dbraw/zinc/67/31/29/390673129.db2.gz BEVCLCDYQWRADJ-CQSZACIVSA-N 2 2 264.373 0.680 20 0 CCADLP CC(C)COC[C@@H](O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000567212052 390679918 /nfs/dbraw/zinc/67/99/18/390679918.db2.gz ASGOQKHFMGKTBR-ZDUSSCGKSA-N 2 2 282.388 0.565 20 0 CCADLP C[N@H+](CC[NH2+]CCC(=O)NC(N)=O)Cc1ccccc1 ZINC000567241997 390682097 /nfs/dbraw/zinc/68/20/97/390682097.db2.gz ZTTLWODGNCAFDY-UHFFFAOYSA-N 2 2 278.356 0.293 20 0 CCADLP C[N@@H+](CC[NH2+]CCC(=O)NC(N)=O)Cc1ccccc1 ZINC000567241997 390682100 /nfs/dbraw/zinc/68/21/00/390682100.db2.gz ZTTLWODGNCAFDY-UHFFFAOYSA-N 2 2 278.356 0.293 20 0 CCADLP CC(C)(CNC(=O)C=Cc1c[nH]c[nH+]1)[NH+]1CCOCC1 ZINC000283694243 195901849 /nfs/dbraw/zinc/90/18/49/195901849.db2.gz WDWOFDFMYVQURR-ONEGZZNKSA-N 2 2 278.356 0.650 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000567483094 390700706 /nfs/dbraw/zinc/70/07/06/390700706.db2.gz KIOYDVOQNPUJML-UKRRQHHQSA-N 2 2 286.416 0.569 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000567483094 390700707 /nfs/dbraw/zinc/70/07/07/390700707.db2.gz KIOYDVOQNPUJML-UKRRQHHQSA-N 2 2 286.416 0.569 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000567483094 390700708 /nfs/dbraw/zinc/70/07/08/390700708.db2.gz KIOYDVOQNPUJML-UKRRQHHQSA-N 2 2 286.416 0.569 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000567483094 390700709 /nfs/dbraw/zinc/70/07/09/390700709.db2.gz KIOYDVOQNPUJML-UKRRQHHQSA-N 2 2 286.416 0.569 20 0 CCADLP CC[NH2+]CCCNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000571896145 390758370 /nfs/dbraw/zinc/75/83/70/390758370.db2.gz YQWCCDZATIBUQT-STQMWFEESA-N 2 2 286.420 0.394 20 0 CCADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC000647035298 390761997 /nfs/dbraw/zinc/76/19/97/390761997.db2.gz WTIRUGLJOUNJPX-XJKSGUPXSA-N 2 2 288.395 1.000 20 0 CCADLP C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC000647035298 390762000 /nfs/dbraw/zinc/76/20/00/390762000.db2.gz WTIRUGLJOUNJPX-XJKSGUPXSA-N 2 2 288.395 1.000 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)c1ccccc1C ZINC000572055306 390765924 /nfs/dbraw/zinc/76/59/24/390765924.db2.gz HRSMAPJAIJGKFF-HOCLYGCPSA-N 2 2 296.411 0.557 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)c1ccccc1C ZINC000572055306 390765926 /nfs/dbraw/zinc/76/59/26/390765926.db2.gz HRSMAPJAIJGKFF-HOCLYGCPSA-N 2 2 296.411 0.557 20 0 CCADLP [NH3+][C@@H](C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)c1c(F)cccc1F ZINC000647057922 390767639 /nfs/dbraw/zinc/76/76/39/390767639.db2.gz BFQUYLAOZDUVGC-YVZVNANGSA-N 2 2 287.285 0.781 20 0 CCADLP Cc1cc(NC(=O)NC2(C[NH3+])CCOCC2)c(C)c[nH+]1 ZINC000528684485 390768319 /nfs/dbraw/zinc/76/83/19/390768319.db2.gz GWKOTPAVGCLHTH-UHFFFAOYSA-N 2 2 278.356 0.750 20 0 CCADLP CN1CCC[C@@H]([NH+]2CCC(C)([NH+]3CCOCC3)CC2)C1=O ZINC000528726274 390771576 /nfs/dbraw/zinc/77/15/76/390771576.db2.gz DPUNUTYFTXNVCP-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP CC1([NH+]2CCOCC2)CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000528732018 390772232 /nfs/dbraw/zinc/77/22/32/390772232.db2.gz XDUHUXPQJNIKAD-AWEZNQCLSA-N 2 2 295.427 0.842 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@H]2CC[C@@H](C1)[S@]2=O)C1CC1 ZINC000528789669 390779127 /nfs/dbraw/zinc/77/91/27/390779127.db2.gz RUMNASXUKDLDSF-PXWIGAEESA-N 2 2 286.441 0.427 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@H]2CC[C@@H](C1)[S@]2=O)C1CC1 ZINC000528789669 390779129 /nfs/dbraw/zinc/77/91/29/390779129.db2.gz RUMNASXUKDLDSF-PXWIGAEESA-N 2 2 286.441 0.427 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O)C1CC1 ZINC000528789669 390779131 /nfs/dbraw/zinc/77/91/31/390779131.db2.gz RUMNASXUKDLDSF-PXWIGAEESA-N 2 2 286.441 0.427 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O)C1CC1 ZINC000528789669 390779133 /nfs/dbraw/zinc/77/91/33/390779133.db2.gz RUMNASXUKDLDSF-PXWIGAEESA-N 2 2 286.441 0.427 20 0 CCADLP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@@H](O)C[NH+](C)C)c1 ZINC000572404530 390782216 /nfs/dbraw/zinc/78/22/16/390782216.db2.gz NQPCDWPTRMIVDC-HUUCEWRRSA-N 2 2 296.411 0.555 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C)[C@H]1CO ZINC000572493808 390786085 /nfs/dbraw/zinc/78/60/85/390786085.db2.gz AVWXLPQJOHEALE-MELADBBJSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C)[C@H]1CO ZINC000572493808 390786088 /nfs/dbraw/zinc/78/60/88/390786088.db2.gz AVWXLPQJOHEALE-MELADBBJSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](C)[C@H]1CO ZINC000572493808 390786089 /nfs/dbraw/zinc/78/60/89/390786089.db2.gz AVWXLPQJOHEALE-MELADBBJSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](C)[C@H]1CO ZINC000572493808 390786091 /nfs/dbraw/zinc/78/60/91/390786091.db2.gz AVWXLPQJOHEALE-MELADBBJSA-N 2 2 274.405 0.018 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000572605640 390792251 /nfs/dbraw/zinc/79/22/51/390792251.db2.gz SBVGBDHMRZOOEI-DZGCQCFKSA-N 2 2 297.443 0.896 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000572605640 390792252 /nfs/dbraw/zinc/79/22/52/390792252.db2.gz SBVGBDHMRZOOEI-DZGCQCFKSA-N 2 2 297.443 0.896 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](OCCOC)C1 ZINC000572614147 390792723 /nfs/dbraw/zinc/79/27/23/390792723.db2.gz YDVMCQJQZKHBON-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](OCCOC)C1 ZINC000572614147 390792724 /nfs/dbraw/zinc/79/27/24/390792724.db2.gz YDVMCQJQZKHBON-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](OCCOC)C1 ZINC000572614147 390792725 /nfs/dbraw/zinc/79/27/25/390792725.db2.gz YDVMCQJQZKHBON-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](OCCOC)C1 ZINC000572614147 390792726 /nfs/dbraw/zinc/79/27/26/390792726.db2.gz YDVMCQJQZKHBON-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000572673729 390796510 /nfs/dbraw/zinc/79/65/10/390796510.db2.gz MAGSPGLKGPJIKY-NSHDSACASA-N 2 2 250.346 0.895 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000572673729 390796512 /nfs/dbraw/zinc/79/65/12/390796512.db2.gz MAGSPGLKGPJIKY-NSHDSACASA-N 2 2 250.346 0.895 20 0 CCADLP Cc1cc(NC[C@@H]2C[NH2+]CCN2C)nc(-c2cccnc2)[nH+]1 ZINC000572706704 390797927 /nfs/dbraw/zinc/79/79/27/390797927.db2.gz GOOHTGFQXCPRIL-AWEZNQCLSA-N 2 2 298.394 0.584 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529305864 390803414 /nfs/dbraw/zinc/80/34/14/390803414.db2.gz ZYAAYTDIVMHHKV-SNVBAGLBSA-N 2 2 263.345 0.504 20 0 CCADLP C[C@@H](C(=O)N(C1CC1)C1CC[NH2+]CC1)[NH+]1CCN(C)CC1 ZINC000647643647 390856873 /nfs/dbraw/zinc/85/68/73/390856873.db2.gz MPACHMADXPOAJO-ZDUSSCGKSA-N 2 2 294.443 0.365 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000578387142 390881579 /nfs/dbraw/zinc/88/15/79/390881579.db2.gz OSKDEPPXRXOXAP-LLVKDONJSA-N 2 2 262.357 0.706 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000578387142 390881582 /nfs/dbraw/zinc/88/15/82/390881582.db2.gz OSKDEPPXRXOXAP-LLVKDONJSA-N 2 2 262.357 0.706 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000578141464 390867102 /nfs/dbraw/zinc/86/71/02/390867102.db2.gz LKAJOGSQOJWLLG-VXGBXAGGSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000578141464 390867103 /nfs/dbraw/zinc/86/71/03/390867103.db2.gz LKAJOGSQOJWLLG-VXGBXAGGSA-N 2 2 262.357 0.656 20 0 CCADLP CCOCCOC[C@@H](O)C[NH2+]Cc1c[nH+]c(C)n1C ZINC000578144101 390867556 /nfs/dbraw/zinc/86/75/56/390867556.db2.gz IPGBCEFDSGEIRI-ZDUSSCGKSA-N 2 2 271.361 0.232 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ccncc2)C1 ZINC000578202873 390870002 /nfs/dbraw/zinc/87/00/02/390870002.db2.gz AMAVEFHGFQLHAB-CVEARBPZSA-N 2 2 293.411 0.810 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ccncc2)C1 ZINC000578202873 390870003 /nfs/dbraw/zinc/87/00/03/390870003.db2.gz AMAVEFHGFQLHAB-CVEARBPZSA-N 2 2 293.411 0.810 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000578202873 390870005 /nfs/dbraw/zinc/87/00/05/390870005.db2.gz AMAVEFHGFQLHAB-CVEARBPZSA-N 2 2 293.411 0.810 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000578202873 390870006 /nfs/dbraw/zinc/87/00/06/390870006.db2.gz AMAVEFHGFQLHAB-CVEARBPZSA-N 2 2 293.411 0.810 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529331315 390810512 /nfs/dbraw/zinc/81/05/12/390810512.db2.gz PXJPUQHPEMFNCY-GHMZBOCLSA-N 2 2 281.360 0.252 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2COCC[NH2+]2)c2[nH+]ccn21 ZINC000529333514 390810998 /nfs/dbraw/zinc/81/09/98/390810998.db2.gz WYRWIIBBMDKWCI-MXWKQRLJSA-N 2 2 279.344 0.177 20 0 CCADLP Cc1c[nH+]c(C)nc1NC[C@H](C)N1CC[NH+](C)CC1 ZINC000572899756 390811304 /nfs/dbraw/zinc/81/13/04/390811304.db2.gz KBGNDZQNCRRIOX-LBPRGKRZSA-N 2 2 263.389 0.563 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NC[C@H]2COCC[NH2+]2)c2[nH+]ccn21 ZINC000529333516 390811716 /nfs/dbraw/zinc/81/17/16/390811716.db2.gz WYRWIIBBMDKWCI-VWYCJHECSA-N 2 2 279.344 0.177 20 0 CCADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000574916893 390825167 /nfs/dbraw/zinc/82/51/67/390825167.db2.gz KGDYTMYEWAIENJ-STQMWFEESA-N 2 2 286.347 0.078 20 0 CCADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1cscn1 ZINC000574928304 390827402 /nfs/dbraw/zinc/82/74/02/390827402.db2.gz QEUMZILWKMJCIG-UWVGGRQHSA-N 2 2 283.401 0.488 20 0 CCADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1cscn1 ZINC000574928304 390827405 /nfs/dbraw/zinc/82/74/05/390827405.db2.gz QEUMZILWKMJCIG-UWVGGRQHSA-N 2 2 283.401 0.488 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@H](CO)CC(F)F)C[C@@H](C)O1 ZINC000647535209 390835273 /nfs/dbraw/zinc/83/52/73/390835273.db2.gz XBHQTCIRLMXADI-WISYIIOYSA-N 2 2 296.358 0.062 20 0 CCADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CCN2CCOC(C)(C)C2)C1 ZINC000647550388 390839850 /nfs/dbraw/zinc/83/98/50/390839850.db2.gz OHAWYXUIURIHCK-STQMWFEESA-N 2 2 255.406 0.685 20 0 CCADLP C[C@@H]1C[NH2+]C[C@@H](NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000647550388 390839851 /nfs/dbraw/zinc/83/98/51/390839851.db2.gz OHAWYXUIURIHCK-STQMWFEESA-N 2 2 255.406 0.685 20 0 CCADLP C[C@@H]1C[NH2+]C[C@@H](NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000647550388 390839853 /nfs/dbraw/zinc/83/98/53/390839853.db2.gz OHAWYXUIURIHCK-STQMWFEESA-N 2 2 255.406 0.685 20 0 CCADLP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000532749316 390885014 /nfs/dbraw/zinc/88/50/14/390885014.db2.gz XIBGURGBRSBZJD-OLZOCXBDSA-N 2 2 276.384 0.904 20 0 CCADLP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000532749316 390885015 /nfs/dbraw/zinc/88/50/15/390885015.db2.gz XIBGURGBRSBZJD-OLZOCXBDSA-N 2 2 276.384 0.904 20 0 CCADLP COCCC[NH+]1CCC([NH2+]C[C@@H](C)S(C)(=O)=O)CC1 ZINC000578521529 390889578 /nfs/dbraw/zinc/88/95/78/390889578.db2.gz CATIFRBAAORSGU-GFCCVEGCSA-N 2 2 292.445 0.510 20 0 CCADLP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)NCc1cccnc1 ZINC000578537482 390890890 /nfs/dbraw/zinc/89/08/90/390890890.db2.gz AMTAVDFQFKRIDV-MRXNPFEDSA-N 2 2 288.395 0.773 20 0 CCADLP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)NCc1cccnc1 ZINC000578537482 390890893 /nfs/dbraw/zinc/89/08/93/390890893.db2.gz AMTAVDFQFKRIDV-MRXNPFEDSA-N 2 2 288.395 0.773 20 0 CCADLP CCC[N@H+](CC)CCNC(=O)Cc1c[nH+]cn1C ZINC000578568470 390892730 /nfs/dbraw/zinc/89/27/30/390892730.db2.gz RHOXXTKDKJYRGU-UHFFFAOYSA-N 2 2 252.362 0.811 20 0 CCADLP CCC[N@@H+](CC)CCNC(=O)Cc1c[nH+]cn1C ZINC000578568470 390892733 /nfs/dbraw/zinc/89/27/33/390892733.db2.gz RHOXXTKDKJYRGU-UHFFFAOYSA-N 2 2 252.362 0.811 20 0 CCADLP O[C@@H]1CCCC[C@H]1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000578637805 390895903 /nfs/dbraw/zinc/89/59/03/390895903.db2.gz LCJKLNMOOBDRAP-LJISPDSOSA-N 2 2 268.401 0.894 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000578735965 390899612 /nfs/dbraw/zinc/89/96/12/390899612.db2.gz RSXHQGOKTIBJDN-LLVKDONJSA-N 2 2 252.362 0.808 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000578735965 390899613 /nfs/dbraw/zinc/89/96/13/390899613.db2.gz RSXHQGOKTIBJDN-LLVKDONJSA-N 2 2 252.362 0.808 20 0 CCADLP CC[C@H](C)[C@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])OC ZINC000578864992 390904799 /nfs/dbraw/zinc/90/47/99/390904799.db2.gz JSCRFFROJACBEC-XQQFMLRXSA-N 2 2 286.420 0.332 20 0 CCADLP C(C[NH+]1CCOCC1)SCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000371625288 533362520 /nfs/dbraw/zinc/36/25/20/533362520.db2.gz USBHUGSYAYHRMX-OKILXGFUSA-N 2 2 286.441 0.915 20 0 CCADLP C(C[NH+]1CCOCC1)SCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000371625288 533362526 /nfs/dbraw/zinc/36/25/26/533362526.db2.gz USBHUGSYAYHRMX-OKILXGFUSA-N 2 2 286.441 0.915 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH2+]1 ZINC000333845193 533619868 /nfs/dbraw/zinc/61/98/68/533619868.db2.gz PAXYSODCXZAHSX-RQJABVFESA-N 2 2 296.415 0.289 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH2+]1 ZINC000333845193 533619873 /nfs/dbraw/zinc/61/98/73/533619873.db2.gz PAXYSODCXZAHSX-RQJABVFESA-N 2 2 296.415 0.289 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000341759071 130025800 /nfs/dbraw/zinc/02/58/00/130025800.db2.gz CVMJUDRFVBEFKK-LBPRGKRZSA-N 2 2 292.445 0.246 20 0 CCADLP [NH3+]C1(C[NH2+]CC(=O)NC[C@H]2Cc3ccccc3O2)CCC1 ZINC000342129768 130289088 /nfs/dbraw/zinc/28/90/88/130289088.db2.gz HIEPOARPEFPGLT-CYBMUJFWSA-N 2 2 289.379 0.577 20 0 CCADLP COC[C@H](CC1CCOCC1)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000657880091 413071117 /nfs/dbraw/zinc/07/11/17/413071117.db2.gz OHGSSIKJILBPQU-HOTGVXAUSA-N 2 2 299.459 0.654 20 0 CCADLP COC[C@H](CC1CCOCC1)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000657880091 413071119 /nfs/dbraw/zinc/07/11/19/413071119.db2.gz OHGSSIKJILBPQU-HOTGVXAUSA-N 2 2 299.459 0.654 20 0 CCADLP c1ncn(CC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)n1 ZINC000685412806 545815742 /nfs/dbraw/zinc/81/57/42/545815742.db2.gz YFAQXAUUILJDMW-AWEZNQCLSA-N 2 2 279.388 0.465 20 0 CCADLP c1ncn(CC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)n1 ZINC000685412806 545815747 /nfs/dbraw/zinc/81/57/47/545815747.db2.gz YFAQXAUUILJDMW-AWEZNQCLSA-N 2 2 279.388 0.465 20 0 CCADLP CCn1ncc(C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)n1 ZINC000530208510 285569338 /nfs/dbraw/zinc/56/93/38/285569338.db2.gz HFCKHOZUXZPUGI-WDEREUQCSA-N 2 2 253.350 0.155 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000092132616 135075716 /nfs/dbraw/zinc/07/57/16/135075716.db2.gz DABYCLMXPXAMPO-GFCCVEGCSA-N 2 2 262.357 0.586 20 0 CCADLP CN(C)C(=O)c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)[nH]1 ZINC000357045676 144053646 /nfs/dbraw/zinc/05/36/46/144053646.db2.gz HZZONXLOIWTTQA-RYUDHWBXSA-N 2 2 276.384 0.758 20 0 CCADLP CN(C)C(=O)c1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)[nH]1 ZINC000357045676 144053647 /nfs/dbraw/zinc/05/36/47/144053647.db2.gz HZZONXLOIWTTQA-RYUDHWBXSA-N 2 2 276.384 0.758 20 0 CCADLP COCCCn1nccc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357105208 144060964 /nfs/dbraw/zinc/06/09/64/144060964.db2.gz MZQGJYVMHXICDB-KGLIPLIRSA-N 2 2 278.400 0.961 20 0 CCADLP COCCCn1nccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357105208 144060966 /nfs/dbraw/zinc/06/09/66/144060966.db2.gz MZQGJYVMHXICDB-KGLIPLIRSA-N 2 2 278.400 0.961 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000357381639 144086382 /nfs/dbraw/zinc/08/63/82/144086382.db2.gz SUXIXWBAUMCIPB-CABCVRRESA-N 2 2 295.427 0.509 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000357381639 144086383 /nfs/dbraw/zinc/08/63/83/144086383.db2.gz SUXIXWBAUMCIPB-CABCVRRESA-N 2 2 295.427 0.509 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000357381641 144086740 /nfs/dbraw/zinc/08/67/40/144086740.db2.gz SUXIXWBAUMCIPB-GJZGRUSLSA-N 2 2 295.427 0.509 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000357381641 144086741 /nfs/dbraw/zinc/08/67/41/144086741.db2.gz SUXIXWBAUMCIPB-GJZGRUSLSA-N 2 2 295.427 0.509 20 0 CCADLP C[N@H+](C[C@@H]1CCCCO1)C1CC[NH+](CCO)CC1 ZINC000357646772 144108519 /nfs/dbraw/zinc/10/85/19/144108519.db2.gz ICKXFHGFPPVONZ-AWEZNQCLSA-N 2 2 256.390 0.944 20 0 CCADLP C[N@@H+](C[C@@H]1CCCCO1)C1CC[NH+](CCO)CC1 ZINC000357646772 144108521 /nfs/dbraw/zinc/10/85/21/144108521.db2.gz ICKXFHGFPPVONZ-AWEZNQCLSA-N 2 2 256.390 0.944 20 0 CCADLP C[N@H+]([C@H](C(N)=O)c1ccccc1)C1CC[NH+](CCO)CC1 ZINC000357647493 144108662 /nfs/dbraw/zinc/10/86/62/144108662.db2.gz JVQZLUCLQXEMRT-HNNXBMFYSA-N 2 2 291.395 0.602 20 0 CCADLP C[N@@H+]([C@H](C(N)=O)c1ccccc1)C1CC[NH+](CCO)CC1 ZINC000357647493 144108663 /nfs/dbraw/zinc/10/86/63/144108663.db2.gz JVQZLUCLQXEMRT-HNNXBMFYSA-N 2 2 291.395 0.602 20 0 CCADLP CC[C@H](C)NC(=O)[C@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357650617 144109221 /nfs/dbraw/zinc/10/92/21/144109221.db2.gz QEERAVNOALJUNZ-STQMWFEESA-N 2 2 285.432 0.678 20 0 CCADLP CC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357650617 144109222 /nfs/dbraw/zinc/10/92/22/144109222.db2.gz QEERAVNOALJUNZ-STQMWFEESA-N 2 2 285.432 0.678 20 0 CCADLP CC[NH+](CC)C[C@@H](C)NC(=O)NCc1c[nH+]cn1C ZINC000357958402 144137080 /nfs/dbraw/zinc/13/70/80/144137080.db2.gz NLRLYNZUPHVGPK-LLVKDONJSA-N 2 2 267.377 0.950 20 0 CCADLP COc1ccc(C(=O)NCC[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000358014002 144142211 /nfs/dbraw/zinc/14/22/11/144142211.db2.gz JOAJWIMXLGYEHK-WFASDCNBSA-N 2 2 291.395 0.965 20 0 CCADLP COc1ccc(C(=O)NCC[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000358014002 144142213 /nfs/dbraw/zinc/14/22/13/144142213.db2.gz JOAJWIMXLGYEHK-WFASDCNBSA-N 2 2 291.395 0.965 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)nc1 ZINC000358134304 144155706 /nfs/dbraw/zinc/15/57/06/144155706.db2.gz AXLSFSHEWFTTTE-ZFWWWQNUSA-N 2 2 290.411 0.958 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)nc1 ZINC000358134304 144155707 /nfs/dbraw/zinc/15/57/07/144155707.db2.gz AXLSFSHEWFTTTE-ZFWWWQNUSA-N 2 2 290.411 0.958 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC[NH2+]1 ZINC000358698669 144173487 /nfs/dbraw/zinc/17/34/87/144173487.db2.gz VBUQSPQXTWBZEI-AGIUHOORSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC[NH2+]1 ZINC000358698669 144173489 /nfs/dbraw/zinc/17/34/89/144173489.db2.gz VBUQSPQXTWBZEI-AGIUHOORSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H](c2c[nH+]cn2C)N(C)C)C[C@H](C)[N@H+]1C ZINC000358722923 144175834 /nfs/dbraw/zinc/17/58/34/144175834.db2.gz KYSZDFYDIOZFSO-MBNYWOFBSA-N 2 2 293.415 0.574 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H](c2c[nH+]cn2C)N(C)C)C[C@H](C)[N@@H+]1C ZINC000358722923 144175835 /nfs/dbraw/zinc/17/58/35/144175835.db2.gz KYSZDFYDIOZFSO-MBNYWOFBSA-N 2 2 293.415 0.574 20 0 CCADLP C[NH+](C)CCOCCNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000359147468 144196774 /nfs/dbraw/zinc/19/67/74/144196774.db2.gz UEIQULQVKZRLTK-NSHDSACASA-N 2 2 295.387 0.144 20 0 CCADLP C[NH+](C)CCOCCNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000359147468 144196776 /nfs/dbraw/zinc/19/67/76/144196776.db2.gz UEIQULQVKZRLTK-NSHDSACASA-N 2 2 295.387 0.144 20 0 CCADLP C[C@H](C1CC1)N(C(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000359267520 144208171 /nfs/dbraw/zinc/20/81/71/144208171.db2.gz ABKONIBNSAMOJK-XBFCOCLRSA-N 2 2 277.412 0.927 20 0 CCADLP COc1ccc(CNC(=O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000359267569 144208179 /nfs/dbraw/zinc/20/81/79/144208179.db2.gz ADYQQKZWAGIFIX-KBPBESRZSA-N 2 2 289.379 0.463 20 0 CCADLP Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000368389553 144222128 /nfs/dbraw/zinc/22/21/28/144222128.db2.gz XKFMIVKEKZUIIT-HBYGRHMLSA-N 2 2 270.336 0.679 20 0 CCADLP O=C(NCCCNc1cccc[nH+]1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000370407106 144301065 /nfs/dbraw/zinc/30/10/65/144301065.db2.gz OZZBHWFLCVSSCY-IUODEOHRSA-N 2 2 274.368 0.999 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000370427694 144302759 /nfs/dbraw/zinc/30/27/59/144302759.db2.gz IBGZWBJVOVDTRR-AWEZNQCLSA-N 2 2 281.400 0.261 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000370427694 144302757 /nfs/dbraw/zinc/30/27/57/144302757.db2.gz IBGZWBJVOVDTRR-AWEZNQCLSA-N 2 2 281.400 0.261 20 0 CCADLP O[C@H]1CCC[C@@H]1[NH+]1CCN(CCCn2cc[nH+]c2)CC1 ZINC000371470859 144332754 /nfs/dbraw/zinc/33/27/54/144332754.db2.gz PAKLMLJIJILNMA-GJZGRUSLSA-N 2 2 278.400 0.804 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372989801 144388173 /nfs/dbraw/zinc/38/81/73/144388173.db2.gz MJTWJDHYVWLPLX-GFCCVEGCSA-N 2 2 284.404 0.638 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372989801 144388174 /nfs/dbraw/zinc/38/81/74/144388174.db2.gz MJTWJDHYVWLPLX-GFCCVEGCSA-N 2 2 284.404 0.638 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@](C)(F)C1 ZINC000521366677 397570787 /nfs/dbraw/zinc/57/07/87/397570787.db2.gz MRHOOIRJPKLVPN-CHWSQXEVSA-N 2 2 262.369 0.750 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@](C)(F)C1 ZINC000521366677 397570792 /nfs/dbraw/zinc/57/07/92/397570792.db2.gz MRHOOIRJPKLVPN-CHWSQXEVSA-N 2 2 262.369 0.750 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000521366677 397570794 /nfs/dbraw/zinc/57/07/94/397570794.db2.gz MRHOOIRJPKLVPN-CHWSQXEVSA-N 2 2 262.369 0.750 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@](C)(F)C1 ZINC000521366677 397570796 /nfs/dbraw/zinc/57/07/96/397570796.db2.gz MRHOOIRJPKLVPN-CHWSQXEVSA-N 2 2 262.369 0.750 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC(C2(O)CC2)CC1)C1CC1 ZINC000649670601 397653576 /nfs/dbraw/zinc/65/35/76/397653576.db2.gz SDSZIPGVTZSRSF-AWEZNQCLSA-N 2 2 268.401 0.678 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(C2(O)CC2)CC1)C1CC1 ZINC000649670601 397653578 /nfs/dbraw/zinc/65/35/78/397653578.db2.gz SDSZIPGVTZSRSF-AWEZNQCLSA-N 2 2 268.401 0.678 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](CCCOC(C)(C)C)CC1=O ZINC000649687050 397656256 /nfs/dbraw/zinc/65/62/56/397656256.db2.gz GPIOMCIKPWDBLE-UHFFFAOYSA-N 2 2 285.432 0.897 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](CCCOC(C)(C)C)CC1=O ZINC000649687050 397656259 /nfs/dbraw/zinc/65/62/59/397656259.db2.gz GPIOMCIKPWDBLE-UHFFFAOYSA-N 2 2 285.432 0.897 20 0 CCADLP C[N@@H+](Cc1cn[nH]c1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000649413666 397608016 /nfs/dbraw/zinc/60/80/16/397608016.db2.gz YERCZQZAZKUHQS-GJZGRUSLSA-N 2 2 274.368 0.772 20 0 CCADLP C[N@H+](Cc1cn[nH]c1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000649413666 397608017 /nfs/dbraw/zinc/60/80/17/397608017.db2.gz YERCZQZAZKUHQS-GJZGRUSLSA-N 2 2 274.368 0.772 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)Nc2cc(C)nn2C)CC[C@@H]1[NH3+] ZINC000649416935 397609315 /nfs/dbraw/zinc/60/93/15/397609315.db2.gz QVUFXFIDKPKPTJ-NEPJUHHUSA-N 2 2 279.388 0.726 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)Nc2cc(C)nn2C)CC[C@@H]1[NH3+] ZINC000649416935 397609316 /nfs/dbraw/zinc/60/93/16/397609316.db2.gz QVUFXFIDKPKPTJ-NEPJUHHUSA-N 2 2 279.388 0.726 20 0 CCADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000649420001 397610354 /nfs/dbraw/zinc/61/03/54/397610354.db2.gz RHSSFAODGHFXRH-AWEZNQCLSA-N 3 2 296.459 0.692 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000649472967 397617154 /nfs/dbraw/zinc/61/71/54/397617154.db2.gz INLDDFQESMDSRS-DZGCQCFKSA-N 2 2 294.443 0.365 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000649472967 397617156 /nfs/dbraw/zinc/61/71/56/397617156.db2.gz INLDDFQESMDSRS-DZGCQCFKSA-N 2 2 294.443 0.365 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCCC1(C[NH3+])CC1 ZINC000649480792 397619147 /nfs/dbraw/zinc/61/91/47/397619147.db2.gz UGBGWWXXPGCPRQ-LLVKDONJSA-N 2 2 265.361 0.700 20 0 CCADLP CC[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@H](C)CO1 ZINC000649731686 397661723 /nfs/dbraw/zinc/66/17/23/397661723.db2.gz LHNRYBVQMCOPOB-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@H](C)CO1 ZINC000649731686 397661725 /nfs/dbraw/zinc/66/17/25/397661725.db2.gz LHNRYBVQMCOPOB-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP C(CC1CC[NH2+]CC1)[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000650761496 397754174 /nfs/dbraw/zinc/75/41/74/397754174.db2.gz AKXBNLRRJFZTKR-HUUCEWRRSA-N 3 2 267.417 0.733 20 0 CCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC000548519298 286044966 /nfs/dbraw/zinc/04/49/66/286044966.db2.gz VOIIPHMWGMIBAN-LLVKDONJSA-N 2 2 252.362 0.809 20 0 CCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC000548519298 286044967 /nfs/dbraw/zinc/04/49/67/286044967.db2.gz VOIIPHMWGMIBAN-LLVKDONJSA-N 2 2 252.362 0.809 20 0 CCADLP CC(C)(C(=O)N1CC[NH+](C2CC2)CC1)c1c[nH+]c[nH]1 ZINC000548741219 286064076 /nfs/dbraw/zinc/06/40/76/286064076.db2.gz HVNZXRCNBBBRQT-UHFFFAOYSA-N 2 2 262.357 0.994 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@@H]([NH3+])CC(C)C)CC1 ZINC000164458031 286085130 /nfs/dbraw/zinc/08/51/30/286085130.db2.gz MPNQHECNNFGQJS-ZDUSSCGKSA-N 2 2 271.405 0.541 20 0 CCADLP CS(=O)(=O)C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000550796004 286112003 /nfs/dbraw/zinc/11/20/03/286112003.db2.gz QMBGKYZBHUGKLC-NWDGAFQWSA-N 2 2 283.397 0.611 20 0 CCADLP COCC1(C(=O)N[C@H](C)Cn2cc[nH+]c2)CC[NH2+]CC1 ZINC000234676391 292221138 /nfs/dbraw/zinc/22/11/38/292221138.db2.gz OVERIUYLJAAQKJ-GFCCVEGCSA-N 2 2 280.372 0.404 20 0 CCADLP C[C@H](C(=O)N[C@@H](C)C[NH+]1CCOCC1)[NH+]1CC(C)C1 ZINC000552981487 286176913 /nfs/dbraw/zinc/17/69/13/286176913.db2.gz SZKQQOZHYSGAIX-QWHCGFSZSA-N 2 2 269.389 0.164 20 0 CCADLP COCC1(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CC[NH2+]CC1 ZINC000423410220 292248158 /nfs/dbraw/zinc/24/81/58/292248158.db2.gz RMLABHKKBUIRMY-CHWSQXEVSA-N 3 2 255.406 0.542 20 0 CCADLP COCC1(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CC[NH2+]CC1 ZINC000423410220 292248161 /nfs/dbraw/zinc/24/81/61/292248161.db2.gz RMLABHKKBUIRMY-CHWSQXEVSA-N 3 2 255.406 0.542 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)[NH+](C)C ZINC000124659123 286738978 /nfs/dbraw/zinc/73/89/78/286738978.db2.gz IBRDPXAWGMUAFI-KBPBESRZSA-N 2 2 285.432 0.800 20 0 CCADLP CC(C)[C@H](C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)[C@H](C)[NH3+] ZINC000659357808 413442333 /nfs/dbraw/zinc/44/23/33/413442333.db2.gz NKIOXBWEGVGUIG-IHRRRGAJSA-N 2 2 283.416 0.539 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000055141605 298638286 /nfs/dbraw/zinc/63/82/86/298638286.db2.gz FAPBCGRGRATNOP-MCIONIFRSA-N 2 2 283.416 0.731 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2Cc3ccccc32)[C@H](C[NH3+])C1 ZINC000122552294 411705689 /nfs/dbraw/zinc/70/56/89/411705689.db2.gz BAAXBBASSUGDFO-TZMCWYRMSA-N 2 2 259.353 0.428 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2Cc3ccccc32)[C@H](C[NH3+])C1 ZINC000122552294 411705694 /nfs/dbraw/zinc/70/56/94/411705694.db2.gz BAAXBBASSUGDFO-TZMCWYRMSA-N 2 2 259.353 0.428 20 0 CCADLP C[N@H+](CCC[NH3+])CC(=O)NCc1ccc(F)cc1 ZINC000123305760 411710977 /nfs/dbraw/zinc/71/09/77/411710977.db2.gz NNMWGTKVEHFNLO-UHFFFAOYSA-N 2 2 253.321 0.723 20 0 CCADLP C[N@@H+](CCC[NH3+])CC(=O)NCc1ccc(F)cc1 ZINC000123305760 411710982 /nfs/dbraw/zinc/71/09/82/411710982.db2.gz NNMWGTKVEHFNLO-UHFFFAOYSA-N 2 2 253.321 0.723 20 0 CCADLP CS(=O)(=O)CCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000063016248 411687924 /nfs/dbraw/zinc/68/79/24/411687924.db2.gz ATYBDFPGJSQACW-OLZOCXBDSA-N 2 2 274.430 0.885 20 0 CCADLP CS(=O)(=O)CCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000063016248 411687929 /nfs/dbraw/zinc/68/79/29/411687929.db2.gz ATYBDFPGJSQACW-OLZOCXBDSA-N 2 2 274.430 0.885 20 0 CCADLP CS(=O)(=O)CCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000063016247 411688496 /nfs/dbraw/zinc/68/84/96/411688496.db2.gz ATYBDFPGJSQACW-STQMWFEESA-N 2 2 274.430 0.885 20 0 CCADLP CS(=O)(=O)CCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000063016247 411688499 /nfs/dbraw/zinc/68/84/99/411688499.db2.gz ATYBDFPGJSQACW-STQMWFEESA-N 2 2 274.430 0.885 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccccn1 ZINC000311454738 411750707 /nfs/dbraw/zinc/75/07/07/411750707.db2.gz KFSNLOGELIOCRE-OLZOCXBDSA-N 2 2 267.373 0.671 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccccn1 ZINC000311454738 411750713 /nfs/dbraw/zinc/75/07/13/411750713.db2.gz KFSNLOGELIOCRE-OLZOCXBDSA-N 2 2 267.373 0.671 20 0 CCADLP CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)[C@H]1CCCOC1 ZINC000402717044 411783892 /nfs/dbraw/zinc/78/38/92/411783892.db2.gz VIRQXWWBDADCQH-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)[C@H]1CCCOC1 ZINC000402717044 411783897 /nfs/dbraw/zinc/78/38/97/411783897.db2.gz VIRQXWWBDADCQH-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)[C@H]1CCCOC1 ZINC000402717044 411783900 /nfs/dbraw/zinc/78/39/00/411783900.db2.gz VIRQXWWBDADCQH-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)[C@H]1CCCOC1 ZINC000402717044 411783904 /nfs/dbraw/zinc/78/39/04/411783904.db2.gz VIRQXWWBDADCQH-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP CCO[C@@H]1C[N@H+](CC(=O)N2CCCC[C@@H]2C)C[C@H]1C[NH3+] ZINC000405209548 411800262 /nfs/dbraw/zinc/80/02/62/411800262.db2.gz KMVMTAFLIPHJAL-BFHYXJOUSA-N 2 2 283.416 0.683 20 0 CCADLP CCO[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@@H]2C)C[C@H]1C[NH3+] ZINC000405209548 411800266 /nfs/dbraw/zinc/80/02/66/411800266.db2.gz KMVMTAFLIPHJAL-BFHYXJOUSA-N 2 2 283.416 0.683 20 0 CCADLP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC2CCCC2)C[C@H]1C[NH3+] ZINC000405229493 411800382 /nfs/dbraw/zinc/80/03/82/411800382.db2.gz VHZUNLSZBBVAQI-OUCADQQQSA-N 2 2 283.416 0.729 20 0 CCADLP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC2CCCC2)C[C@H]1C[NH3+] ZINC000405229493 411800383 /nfs/dbraw/zinc/80/03/83/411800383.db2.gz VHZUNLSZBBVAQI-OUCADQQQSA-N 2 2 283.416 0.729 20 0 CCADLP Cc1[nH+]cc2n1C[C@H](C(=O)NCc1c[nH+]c[nH]1)CC2 ZINC000651364758 411854518 /nfs/dbraw/zinc/85/45/18/411854518.db2.gz KMAREJQQAABMJJ-SNVBAGLBSA-N 2 2 259.313 0.793 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC[C@]1(O)CCCOC1 ZINC000652045785 411980274 /nfs/dbraw/zinc/98/02/74/411980274.db2.gz FTNRYMWDLWHNPG-BPLDGKMQSA-N 2 2 268.401 0.990 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC[C@]1(O)CCCOC1 ZINC000652045785 411980279 /nfs/dbraw/zinc/98/02/79/411980279.db2.gz FTNRYMWDLWHNPG-BPLDGKMQSA-N 2 2 268.401 0.990 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NCCC1(C[NH3+])CC1 ZINC000652146363 411993475 /nfs/dbraw/zinc/99/34/75/411993475.db2.gz RRWHPZCOICXTBA-UHFFFAOYSA-N 2 2 251.334 0.348 20 0 CCADLP C[C@H](COCC1CC1)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000652306674 412024573 /nfs/dbraw/zinc/02/45/73/412024573.db2.gz ZQUJOMAXZOQEOK-YPMHNXCESA-N 2 2 284.404 0.086 20 0 CCADLP C[C@H](COCC1CC1)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000652306674 412024577 /nfs/dbraw/zinc/02/45/77/412024577.db2.gz ZQUJOMAXZOQEOK-YPMHNXCESA-N 2 2 284.404 0.086 20 0 CCADLP CC(C)C[N@H+](C)CCCNC(=O)Cn1cc[nH+]c1 ZINC000652522790 412069257 /nfs/dbraw/zinc/06/92/57/412069257.db2.gz WRPSSFRUFBSJGK-UHFFFAOYSA-N 2 2 252.362 0.977 20 0 CCADLP CC(C)C[N@@H+](C)CCCNC(=O)Cn1cc[nH+]c1 ZINC000652522790 412069258 /nfs/dbraw/zinc/06/92/58/412069258.db2.gz WRPSSFRUFBSJGK-UHFFFAOYSA-N 2 2 252.362 0.977 20 0 CCADLP COCc1ccnc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000652615162 412075674 /nfs/dbraw/zinc/07/56/74/412075674.db2.gz XRZPRPAQWRDVGK-GFCCVEGCSA-N 2 2 293.371 0.335 20 0 CCADLP COCc1ccnc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000652615162 412075678 /nfs/dbraw/zinc/07/56/78/412075678.db2.gz XRZPRPAQWRDVGK-GFCCVEGCSA-N 2 2 293.371 0.335 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCc2ccccc2CC1 ZINC000653090734 412214494 /nfs/dbraw/zinc/21/44/94/412214494.db2.gz ZCEPTGASMUPOEW-HNNXBMFYSA-N 2 2 275.396 0.893 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@H](CCO)c1ccccc1 ZINC000653091021 412214574 /nfs/dbraw/zinc/21/45/74/412214574.db2.gz HAWBHDJVYHMPDQ-LSDHHAIUSA-N 2 2 293.411 0.548 20 0 CCADLP CCOC[C@H]1CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653090642 412214675 /nfs/dbraw/zinc/21/46/75/412214675.db2.gz WDRCYPBIHUAMJW-STQMWFEESA-N 2 2 271.405 0.541 20 0 CCADLP C[NH2+]Cc1cccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000653045479 412200185 /nfs/dbraw/zinc/20/01/85/412200185.db2.gz QSFUJBURGSISND-ZDUSSCGKSA-N 3 2 264.373 0.624 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cccc2c1CCN2 ZINC000653054853 412202149 /nfs/dbraw/zinc/20/21/49/412202149.db2.gz XSMYFSIDAMZBSF-LLVKDONJSA-N 2 2 262.357 0.872 20 0 CCADLP COc1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1OC ZINC000653057056 412203845 /nfs/dbraw/zinc/20/38/45/412203845.db2.gz MLERJEGDEUVWLJ-NSHDSACASA-N 2 2 281.356 0.921 20 0 CCADLP COc1ccc(CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653056847 412204451 /nfs/dbraw/zinc/20/44/51/412204451.db2.gz AGCKIRSEDRUWKD-AWEZNQCLSA-N 2 2 279.384 0.633 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@H](CO)Cc1ccccc1 ZINC000653069659 412208316 /nfs/dbraw/zinc/20/83/16/412208316.db2.gz WGXQCNDWUUHBRW-HUUCEWRRSA-N 2 2 293.411 0.233 20 0 CCADLP CCN(C[C@H]1CCCO1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653078906 412209612 /nfs/dbraw/zinc/20/96/12/412209612.db2.gz NIROICMXGYBBMB-VXGBXAGGSA-N 2 2 257.378 0.293 20 0 CCADLP C[C@@H]1[C@H](C)SCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653092716 412215512 /nfs/dbraw/zinc/21/55/12/412215512.db2.gz JBFYCMXYBWWMFO-OUAUKWLOSA-N 2 2 259.419 0.618 20 0 CCADLP C[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(=O)N1CCCC[C@H]1C ZINC000653081901 412211472 /nfs/dbraw/zinc/21/14/72/412211472.db2.gz CDDZDWYBNRUOMT-AGIUHOORSA-N 2 2 298.431 0.171 20 0 CCADLP CC[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1c(C)nn(C)c1C ZINC000653098663 412216951 /nfs/dbraw/zinc/21/69/51/412216951.db2.gz UQGGFNDJWKLSFN-OLZOCXBDSA-N 2 2 295.431 0.883 20 0 CCADLP CCO[C@H](CCNC(=O)[C@H]([NH3+])CC[NH+](C)C)C(C)C ZINC000653101611 412219002 /nfs/dbraw/zinc/21/90/02/412219002.db2.gz ADJKMRIOPHPCQM-CHWSQXEVSA-N 2 2 273.421 0.833 20 0 CCADLP CO[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1(C)C ZINC000653101668 412219132 /nfs/dbraw/zinc/21/91/32/412219132.db2.gz CDBKWRLFCGAINX-GARJFASQSA-N 2 2 257.378 0.195 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000653105356 412220398 /nfs/dbraw/zinc/22/03/98/412220398.db2.gz REGYBHNHLXAKGD-GJZGRUSLSA-N 3 2 292.427 0.685 20 0 CCADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653113129 412225893 /nfs/dbraw/zinc/22/58/93/412225893.db2.gz UFTSNAMLAYLAGR-HZSPNIEDSA-N 3 2 284.448 0.502 20 0 CCADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653113129 412225895 /nfs/dbraw/zinc/22/58/95/412225895.db2.gz UFTSNAMLAYLAGR-HZSPNIEDSA-N 3 2 284.448 0.502 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653116529 412227199 /nfs/dbraw/zinc/22/71/99/412227199.db2.gz KGXHBJIOVWDBHC-OLZOCXBDSA-N 3 2 270.421 0.256 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653116529 412227202 /nfs/dbraw/zinc/22/72/02/412227202.db2.gz KGXHBJIOVWDBHC-OLZOCXBDSA-N 3 2 270.421 0.256 20 0 CCADLP Cc1cccc2nc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)cn21 ZINC000653118465 412228015 /nfs/dbraw/zinc/22/80/15/412228015.db2.gz MTEXJYQLJXKVJF-ZDUSSCGKSA-N 2 2 289.383 0.538 20 0 CCADLP C[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000653121987 412228962 /nfs/dbraw/zinc/22/89/62/412228962.db2.gz IEEXCQGXPHASOE-NEPJUHHUSA-N 3 2 272.437 0.358 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](C)C[NH2+]1 ZINC000653128805 412234520 /nfs/dbraw/zinc/23/45/20/412234520.db2.gz ZJJMIQAFDSZBAQ-VXGBXAGGSA-N 2 2 276.384 0.971 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000653130043 412234892 /nfs/dbraw/zinc/23/48/92/412234892.db2.gz SHSGTVUGARNAOG-INIZCTEOSA-N 2 2 288.395 0.974 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000653133889 412236129 /nfs/dbraw/zinc/23/61/29/412236129.db2.gz FCYXAZXFCOCAOX-OCCSQVGLSA-N 2 2 288.395 0.972 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@@H]1C[NH2+]CCCO1 ZINC000653147312 412241942 /nfs/dbraw/zinc/24/19/42/412241942.db2.gz ZQHBJXVUEMNAIA-ZDUSSCGKSA-N 2 2 292.383 0.257 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1n[nH]c2cc(F)ccc21 ZINC000653149848 412242518 /nfs/dbraw/zinc/24/25/18/412242518.db2.gz IPTRIDPYYDINDY-JTQLQIEISA-N 2 2 279.319 0.341 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1n[nH]c2c1cccc2Cl ZINC000653150826 412243829 /nfs/dbraw/zinc/24/38/29/412243829.db2.gz QIFVXEVFZOPRTF-JTQLQIEISA-N 2 2 295.774 0.856 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000653152679 412245202 /nfs/dbraw/zinc/24/52/02/412245202.db2.gz VUYOFSLVBFDQEI-RDBSUJKOSA-N 3 2 282.432 0.208 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000653152679 412245206 /nfs/dbraw/zinc/24/52/06/412245206.db2.gz VUYOFSLVBFDQEI-RDBSUJKOSA-N 3 2 282.432 0.208 20 0 CCADLP CCc1nn(C)c(CC)c1CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653156902 412246385 /nfs/dbraw/zinc/24/63/85/412246385.db2.gz OSLOJIJAOCNDKN-GFCCVEGCSA-N 2 2 295.431 0.440 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC(F)(F)C(F)F ZINC000653160507 412246560 /nfs/dbraw/zinc/24/65/60/412246560.db2.gz LEUZDSNCYAPCRH-ZCFIWIBFSA-N 2 2 259.247 0.282 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000653157853 412247257 /nfs/dbraw/zinc/24/72/57/412247257.db2.gz NXWODFZPYOHXFD-IHRRRGAJSA-N 3 2 282.432 0.208 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000653157853 412247259 /nfs/dbraw/zinc/24/72/59/412247259.db2.gz NXWODFZPYOHXFD-IHRRRGAJSA-N 3 2 282.432 0.208 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)C1(COC)CC1 ZINC000653593942 412323285 /nfs/dbraw/zinc/32/32/85/412323285.db2.gz XUTQGECGSZVMTG-GFCCVEGCSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)C1(COC)CC1 ZINC000653593942 412323287 /nfs/dbraw/zinc/32/32/87/412323287.db2.gz XUTQGECGSZVMTG-GFCCVEGCSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)C1(COC)CC1 ZINC000653593942 412323288 /nfs/dbraw/zinc/32/32/88/412323288.db2.gz XUTQGECGSZVMTG-GFCCVEGCSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)C1(COC)CC1 ZINC000653593942 412323291 /nfs/dbraw/zinc/32/32/91/412323291.db2.gz XUTQGECGSZVMTG-GFCCVEGCSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@H](F)C1 ZINC000653609333 412324465 /nfs/dbraw/zinc/32/44/65/412324465.db2.gz IADUCAVDYLCZMH-FRRDWIJNSA-N 2 2 262.369 0.605 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@H](F)C1 ZINC000653609333 412324470 /nfs/dbraw/zinc/32/44/70/412324470.db2.gz IADUCAVDYLCZMH-FRRDWIJNSA-N 2 2 262.369 0.605 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000653609333 412324472 /nfs/dbraw/zinc/32/44/72/412324472.db2.gz IADUCAVDYLCZMH-FRRDWIJNSA-N 2 2 262.369 0.605 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000653609333 412324477 /nfs/dbraw/zinc/32/44/77/412324477.db2.gz IADUCAVDYLCZMH-FRRDWIJNSA-N 2 2 262.369 0.605 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000653635330 412327484 /nfs/dbraw/zinc/32/74/84/412327484.db2.gz HSPNGJXYLJEDGL-LJISPDSOSA-N 2 2 288.432 0.407 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000653635330 412327487 /nfs/dbraw/zinc/32/74/87/412327487.db2.gz HSPNGJXYLJEDGL-LJISPDSOSA-N 2 2 288.432 0.407 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000653635330 412327489 /nfs/dbraw/zinc/32/74/89/412327489.db2.gz HSPNGJXYLJEDGL-LJISPDSOSA-N 2 2 288.432 0.407 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000653635330 412327491 /nfs/dbraw/zinc/32/74/91/412327491.db2.gz HSPNGJXYLJEDGL-LJISPDSOSA-N 2 2 288.432 0.407 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](CC(=O)NC)c1ccccc1 ZINC000653656482 412331115 /nfs/dbraw/zinc/33/11/15/412331115.db2.gz DTKPLTJFNHZDBH-LSDHHAIUSA-N 2 2 293.411 0.766 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](CC(=O)NC)c1ccccc1 ZINC000653656482 412331118 /nfs/dbraw/zinc/33/11/18/412331118.db2.gz DTKPLTJFNHZDBH-LSDHHAIUSA-N 2 2 293.411 0.766 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)OCC12CCC2 ZINC000653779146 412346638 /nfs/dbraw/zinc/34/66/38/412346638.db2.gz OELHIYBXQQEMRS-STQMWFEESA-N 2 2 256.390 0.942 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)OCC12CCC2 ZINC000653779146 412346641 /nfs/dbraw/zinc/34/66/41/412346641.db2.gz OELHIYBXQQEMRS-STQMWFEESA-N 2 2 256.390 0.942 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)OCC12CCC2 ZINC000653779146 412346644 /nfs/dbraw/zinc/34/66/44/412346644.db2.gz OELHIYBXQQEMRS-STQMWFEESA-N 2 2 256.390 0.942 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)OCC12CCC2 ZINC000653779146 412346645 /nfs/dbraw/zinc/34/66/45/412346645.db2.gz OELHIYBXQQEMRS-STQMWFEESA-N 2 2 256.390 0.942 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC([C@H](C)CO)CC1 ZINC000653779176 412347358 /nfs/dbraw/zinc/34/73/58/412347358.db2.gz ORIBNMOWROODEV-TZMCWYRMSA-N 2 2 258.406 0.639 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC([C@H](C)CO)CC1 ZINC000653779176 412347360 /nfs/dbraw/zinc/34/73/60/412347360.db2.gz ORIBNMOWROODEV-TZMCWYRMSA-N 2 2 258.406 0.639 20 0 CCADLP Cn1cnnc1N1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000653817538 412351808 /nfs/dbraw/zinc/35/18/08/412351808.db2.gz KSLJPVHQYPACCU-AWEZNQCLSA-N 2 2 292.431 0.812 20 0 CCADLP Cn1cnnc1N1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000653817538 412351809 /nfs/dbraw/zinc/35/18/09/412351809.db2.gz KSLJPVHQYPACCU-AWEZNQCLSA-N 2 2 292.431 0.812 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cc(Cl)ccn1 ZINC000653346645 412292553 /nfs/dbraw/zinc/29/25/53/412292553.db2.gz BXSRJIRYIICDRG-VIFPVBQESA-N 2 2 256.737 0.953 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1nc2c(s1)C(=O)CCC2 ZINC000653346661 412292849 /nfs/dbraw/zinc/29/28/49/412292849.db2.gz CLOAENTXPWDSQV-QMMMGPOBSA-N 2 2 296.396 0.880 20 0 CCADLP CC1(C)C[NH+](CC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000654749341 412436408 /nfs/dbraw/zinc/43/64/08/412436408.db2.gz KLSBLFWXFGHSDO-KGLIPLIRSA-N 2 2 295.427 0.386 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)NCCC[NH+](C)C ZINC000654852264 412444795 /nfs/dbraw/zinc/44/47/95/412444795.db2.gz VDMYLTWXWIKDBC-UHFFFAOYSA-N 2 2 266.345 0.841 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000654889860 412448244 /nfs/dbraw/zinc/44/82/44/412448244.db2.gz BKFYQPPSADOJQY-JSGCOSHPSA-N 2 2 292.383 0.521 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)CCCn2cc[nH+]c2)C1 ZINC000655052271 412468196 /nfs/dbraw/zinc/46/81/96/412468196.db2.gz HGDCMLGWAKUQCG-UHFFFAOYSA-N 2 2 250.346 0.872 20 0 CCADLP C[N@@H+]1C[C@H]2CCN(C(=O)C[NH+]3CC(C)(C)C3)[C@H]2C1 ZINC000655104469 412477972 /nfs/dbraw/zinc/47/79/72/412477972.db2.gz HMYISKBTRJXXPY-NEPJUHHUSA-N 2 2 251.374 0.491 20 0 CCADLP C[N@H+]1C[C@H]2CCN(C(=O)C[NH+]3CC(C)(C)C3)[C@H]2C1 ZINC000655104469 412477975 /nfs/dbraw/zinc/47/79/75/412477975.db2.gz HMYISKBTRJXXPY-NEPJUHHUSA-N 2 2 251.374 0.491 20 0 CCADLP [NH3+]C1(CNC(=O)NCCn2cc[nH+]c2)CCCC1 ZINC000659428298 413492859 /nfs/dbraw/zinc/49/28/59/413492859.db2.gz QOGOXUMYDJZKPI-UHFFFAOYSA-N 2 2 251.334 0.454 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000659450587 413508585 /nfs/dbraw/zinc/50/85/85/413508585.db2.gz RASGNPSOIROLSN-SDDRHHMPSA-N 2 2 272.393 0.003 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)CC(C)(C)[NH3+] ZINC000659451833 413509579 /nfs/dbraw/zinc/50/95/79/413509579.db2.gz IIPIZWHMYSFUTQ-GFCCVEGCSA-N 2 2 285.436 0.001 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000659502054 413554487 /nfs/dbraw/zinc/55/44/87/413554487.db2.gz SPPWULDXXJHBPV-GUBZILKMSA-N 2 2 251.334 0.796 20 0 CCADLP C[C@H](NC(=O)N[C@@H](C[NH3+])C1CC1)c1[nH+]ccn1C ZINC000659517654 413585546 /nfs/dbraw/zinc/58/55/46/413585546.db2.gz ABODIKYMJHTCDA-WPRPVWTQSA-N 2 2 251.334 0.518 20 0 CCADLP C[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)c1[nH+]ccn1C ZINC000659550516 413639481 /nfs/dbraw/zinc/63/94/81/413639481.db2.gz QSCRMQGFUPVUPG-YUMQZZPRSA-N 2 2 275.303 0.763 20 0 CCADLP C[C@H]([NH3+])CNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000659535988 413618030 /nfs/dbraw/zinc/61/80/30/413618030.db2.gz DCOCFZCLSLMMNL-NSHDSACASA-N 2 2 277.372 0.828 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000659534862 413619563 /nfs/dbraw/zinc/61/95/63/413619563.db2.gz BMIVJZOBPQMJNS-UWVGGRQHSA-N 2 2 251.334 0.821 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000659534862 413619571 /nfs/dbraw/zinc/61/95/71/413619571.db2.gz BMIVJZOBPQMJNS-UWVGGRQHSA-N 2 2 251.334 0.821 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659537184 413620899 /nfs/dbraw/zinc/62/08/99/413620899.db2.gz QQYZKLXAWSXVEP-MGPQQGTHSA-N 2 2 296.415 0.101 20 0 CCADLP C[C@@H](NC(=O)NC1(C)CC[NH2+]CC1)c1[nH+]ccn1C ZINC000659626968 413724261 /nfs/dbraw/zinc/72/42/61/413724261.db2.gz FNBHLOIHFHKNFQ-SNVBAGLBSA-N 2 2 265.361 0.922 20 0 CCADLP C[C@@H](NC(=O)N1CC[NH2+][C@@H](C)C1)c1[nH+]ccn1C ZINC000659628534 413725808 /nfs/dbraw/zinc/72/58/08/413725808.db2.gz QOEUTCWFCAKYMC-VHSXEESVSA-N 2 2 251.334 0.484 20 0 CCADLP C[C@H](NC(=O)NC1(C)CC[NH2+]CC1)c1[nH+]ccn1C ZINC000659626967 413726498 /nfs/dbraw/zinc/72/64/98/413726498.db2.gz FNBHLOIHFHKNFQ-JTQLQIEISA-N 2 2 265.361 0.922 20 0 CCADLP CNS(=O)(=O)c1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000659851620 413918691 /nfs/dbraw/zinc/91/86/91/413918691.db2.gz ZVHSQDFUPFQVEY-STQMWFEESA-N 2 2 295.408 0.246 20 0 CCADLP COCC[NH+]1CCN(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000659835501 413900377 /nfs/dbraw/zinc/90/03/77/413900377.db2.gz KNNNQJNIJAWHAV-GJZGRUSLSA-N 2 2 285.432 0.360 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)CCN1CCCC1=O ZINC000659926982 413972289 /nfs/dbraw/zinc/97/22/89/413972289.db2.gz OHVINASYYGGCHQ-CYBMUJFWSA-N 2 2 271.405 0.242 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)CCN1CCCC1=O ZINC000659926982 413972297 /nfs/dbraw/zinc/97/22/97/413972297.db2.gz OHVINASYYGGCHQ-CYBMUJFWSA-N 2 2 271.405 0.242 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)CCN1CCCC1=O ZINC000659926982 413972305 /nfs/dbraw/zinc/97/23/05/413972305.db2.gz OHVINASYYGGCHQ-CYBMUJFWSA-N 2 2 271.405 0.242 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)CCN1CCCC1=O ZINC000659926982 413972316 /nfs/dbraw/zinc/97/23/16/413972316.db2.gz OHVINASYYGGCHQ-CYBMUJFWSA-N 2 2 271.405 0.242 20 0 CCADLP CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000659999546 414038189 /nfs/dbraw/zinc/03/81/89/414038189.db2.gz RYQURHFDLJRUBV-NWDGAFQWSA-N 2 2 299.396 0.401 20 0 CCADLP COC[C@@H](C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)OC ZINC000660120935 414128206 /nfs/dbraw/zinc/12/82/06/414128206.db2.gz QQQMTYQQVSFFDQ-ZIAGYGMSSA-N 2 2 299.415 0.062 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000660282558 414225635 /nfs/dbraw/zinc/22/56/35/414225635.db2.gz BNVQFCNGVMDVLC-CYBMUJFWSA-N 2 2 284.404 0.102 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000660282558 414225642 /nfs/dbraw/zinc/22/56/42/414225642.db2.gz BNVQFCNGVMDVLC-CYBMUJFWSA-N 2 2 284.404 0.102 20 0 CCADLP CO[C@H](C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)[C@H]1CCOC1 ZINC000660420419 414306336 /nfs/dbraw/zinc/30/63/36/414306336.db2.gz RHYFIKAALHIRFZ-QWHCGFSZSA-N 2 2 280.372 0.583 20 0 CCADLP O=C1NCC[C@H]1CC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660476184 414348077 /nfs/dbraw/zinc/34/80/77/414348077.db2.gz XROJIOIAQZCJRA-LSDHHAIUSA-N 2 2 295.427 0.699 20 0 CCADLP O=C1NCC[C@H]1CC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660476184 414348081 /nfs/dbraw/zinc/34/80/81/414348081.db2.gz XROJIOIAQZCJRA-LSDHHAIUSA-N 2 2 295.427 0.699 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](N2CCOCC2)CC1 ZINC000660476525 414349459 /nfs/dbraw/zinc/34/94/59/414349459.db2.gz ZJQAAPPGOYGIRP-JKSUJKDBSA-N 2 2 299.459 0.486 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](N2CCOCC2)CC1 ZINC000660476525 414349467 /nfs/dbraw/zinc/34/94/67/414349467.db2.gz ZJQAAPPGOYGIRP-JKSUJKDBSA-N 2 2 299.459 0.486 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000660476525 414349478 /nfs/dbraw/zinc/34/94/78/414349478.db2.gz ZJQAAPPGOYGIRP-JKSUJKDBSA-N 2 2 299.459 0.486 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000660476525 414349486 /nfs/dbraw/zinc/34/94/86/414349486.db2.gz ZJQAAPPGOYGIRP-JKSUJKDBSA-N 2 2 299.459 0.486 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660476525 414349496 /nfs/dbraw/zinc/34/94/96/414349496.db2.gz ZJQAAPPGOYGIRP-JKSUJKDBSA-N 3 2 299.459 0.486 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660476525 414349504 /nfs/dbraw/zinc/34/95/04/414349504.db2.gz ZJQAAPPGOYGIRP-JKSUJKDBSA-N 3 2 299.459 0.486 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660476525 414349513 /nfs/dbraw/zinc/34/95/13/414349513.db2.gz ZJQAAPPGOYGIRP-JKSUJKDBSA-N 3 2 299.459 0.486 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660476525 414349519 /nfs/dbraw/zinc/34/95/19/414349519.db2.gz ZJQAAPPGOYGIRP-JKSUJKDBSA-N 3 2 299.459 0.486 20 0 CCADLP COCC[N@H+](C)CCNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000660583358 414401878 /nfs/dbraw/zinc/40/18/78/414401878.db2.gz AOQUFKHFWHVXRZ-LLVKDONJSA-N 2 2 283.376 0.359 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000660583358 414401883 /nfs/dbraw/zinc/40/18/83/414401883.db2.gz AOQUFKHFWHVXRZ-LLVKDONJSA-N 2 2 283.376 0.359 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660849342 414507006 /nfs/dbraw/zinc/50/70/06/414507006.db2.gz AWOKDTHOTPXHNC-UHFFFAOYSA-N 2 2 262.317 0.756 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660849342 414507008 /nfs/dbraw/zinc/50/70/08/414507008.db2.gz AWOKDTHOTPXHNC-UHFFFAOYSA-N 2 2 262.317 0.756 20 0 CCADLP OCCOCC[N@H+](CCn1cc[nH+]c1)C1CCC1 ZINC000661099490 414557740 /nfs/dbraw/zinc/55/77/40/414557740.db2.gz NFWQUBIQBGLJCP-UHFFFAOYSA-N 2 2 253.346 0.747 20 0 CCADLP OCCOCC[N@@H+](CCn1cc[nH+]c1)C1CCC1 ZINC000661099490 414557743 /nfs/dbraw/zinc/55/77/43/414557743.db2.gz NFWQUBIQBGLJCP-UHFFFAOYSA-N 2 2 253.346 0.747 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCO[C@](C)(C2CC2)C1)C1CC1 ZINC000661173531 414573495 /nfs/dbraw/zinc/57/34/95/414573495.db2.gz ZCLUXZJNSPLDOI-CABCVRRESA-N 2 2 268.401 0.942 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCO[C@](C)(C2CC2)C1)C1CC1 ZINC000661173531 414573499 /nfs/dbraw/zinc/57/34/99/414573499.db2.gz ZCLUXZJNSPLDOI-CABCVRRESA-N 2 2 268.401 0.942 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCO[C@](C)(C2CC2)C1)C1CC1 ZINC000661173531 414573503 /nfs/dbraw/zinc/57/35/03/414573503.db2.gz ZCLUXZJNSPLDOI-CABCVRRESA-N 2 2 268.401 0.942 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCO[C@](C)(C2CC2)C1)C1CC1 ZINC000661173531 414573506 /nfs/dbraw/zinc/57/35/06/414573506.db2.gz ZCLUXZJNSPLDOI-CABCVRRESA-N 2 2 268.401 0.942 20 0 CCADLP Cc1nn(C)cc1[C@H]1CCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662262314 414702066 /nfs/dbraw/zinc/70/20/66/414702066.db2.gz FIKRGTPLRQAUFZ-TZMCWYRMSA-N 2 2 264.373 0.854 20 0 CCADLP Cc1nn(C)cc1[C@H]1CCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662262314 414702067 /nfs/dbraw/zinc/70/20/67/414702067.db2.gz FIKRGTPLRQAUFZ-TZMCWYRMSA-N 2 2 264.373 0.854 20 0 CCADLP Cc1nc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])co1 ZINC000662270658 414703673 /nfs/dbraw/zinc/70/36/73/414703673.db2.gz BKPBQOIHVHMTMQ-CYBMUJFWSA-N 2 2 280.372 0.803 20 0 CCADLP Cc1nc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])co1 ZINC000662270658 414703674 /nfs/dbraw/zinc/70/36/74/414703674.db2.gz BKPBQOIHVHMTMQ-CYBMUJFWSA-N 2 2 280.372 0.803 20 0 CCADLP Cc1cccc(CNC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)c1 ZINC000662287007 414706534 /nfs/dbraw/zinc/70/65/34/414706534.db2.gz PJPFUEBNBVDIRW-UHFFFAOYSA-N 2 2 291.395 0.315 20 0 CCADLP [NH3+]CC[N@H+](CC[C@@H]1CCc2ccccc21)C[C@@H](O)CO ZINC000662286691 414706591 /nfs/dbraw/zinc/70/65/91/414706591.db2.gz XMCCNTOGKZTCQM-LSDHHAIUSA-N 2 2 278.396 0.720 20 0 CCADLP [NH3+]CC[N@@H+](CC[C@@H]1CCc2ccccc21)C[C@@H](O)CO ZINC000662286691 414706592 /nfs/dbraw/zinc/70/65/92/414706592.db2.gz XMCCNTOGKZTCQM-LSDHHAIUSA-N 2 2 278.396 0.720 20 0 CCADLP CN(C)c1noc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1 ZINC000662287156 414706738 /nfs/dbraw/zinc/70/67/38/414706738.db2.gz XESKYMKFFYOOMG-GWCFXTLKSA-N 2 2 265.361 0.696 20 0 CCADLP CN(C)c1noc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1 ZINC000662287156 414706739 /nfs/dbraw/zinc/70/67/39/414706739.db2.gz XESKYMKFFYOOMG-GWCFXTLKSA-N 2 2 265.361 0.696 20 0 CCADLP Cn1c[nH+]cc1CN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662322142 414709939 /nfs/dbraw/zinc/70/99/39/414709939.db2.gz USOFMHKDEXXEMK-CQSZACIVSA-N 2 2 266.389 0.963 20 0 CCADLP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H](O)C(F)(F)F)CCO1 ZINC000662323101 414709995 /nfs/dbraw/zinc/70/99/95/414709995.db2.gz KSSGUAXQZSNPDA-WDEREUQCSA-N 2 2 284.322 0.952 20 0 CCADLP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)CCO1 ZINC000662323101 414709996 /nfs/dbraw/zinc/70/99/96/414709996.db2.gz KSSGUAXQZSNPDA-WDEREUQCSA-N 2 2 284.322 0.952 20 0 CCADLP C[NH+](C)CCC[C@@H]1C[N@@H+]([C@@H]2CCCNC2=O)CCO1 ZINC000662326217 414710310 /nfs/dbraw/zinc/71/03/10/414710310.db2.gz WTSONFNVHRDEEL-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP C[NH+](C)CCC[C@@H]1C[N@H+]([C@@H]2CCCNC2=O)CCO1 ZINC000662326217 414710311 /nfs/dbraw/zinc/71/03/11/414710311.db2.gz WTSONFNVHRDEEL-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H]1COC2(CCCC2)C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000661984125 414685935 /nfs/dbraw/zinc/68/59/35/414685935.db2.gz JHSUBYJGNSTUIJ-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP C[C@@H]1COC2(CCCC2)C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000661984125 414685936 /nfs/dbraw/zinc/68/59/36/414685936.db2.gz JHSUBYJGNSTUIJ-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP CN(C)C(=O)N(C)[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000662008362 414686225 /nfs/dbraw/zinc/68/62/25/414686225.db2.gz NCULMNZQMTUZGO-KBPBESRZSA-N 2 2 298.431 0.129 20 0 CCADLP CN(C)C(=O)N(C)[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000662008362 414686226 /nfs/dbraw/zinc/68/62/26/414686226.db2.gz NCULMNZQMTUZGO-KBPBESRZSA-N 2 2 298.431 0.129 20 0 CCADLP CN(C)C(=O)N(C)[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000662008362 414686227 /nfs/dbraw/zinc/68/62/27/414686227.db2.gz NCULMNZQMTUZGO-KBPBESRZSA-N 2 2 298.431 0.129 20 0 CCADLP CN(C)C(=O)N(C)[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000662008362 414686228 /nfs/dbraw/zinc/68/62/28/414686228.db2.gz NCULMNZQMTUZGO-KBPBESRZSA-N 2 2 298.431 0.129 20 0 CCADLP C(C[NH+]1CCOCC1)C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662033703 414687467 /nfs/dbraw/zinc/68/74/67/414687467.db2.gz KPCODBXROJCREF-ZIAGYGMSSA-N 2 2 254.374 0.677 20 0 CCADLP C(C[NH+]1CCOCC1)C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662033703 414687468 /nfs/dbraw/zinc/68/74/68/414687468.db2.gz KPCODBXROJCREF-ZIAGYGMSSA-N 2 2 254.374 0.677 20 0 CCADLP O[C@@H]1CC[N@@H+](C2CCN(CCC[NH+]3CCOCC3)CC2)C1 ZINC000662152913 414694024 /nfs/dbraw/zinc/69/40/24/414694024.db2.gz JBWCAXYKTIEHHH-MRXNPFEDSA-N 2 2 297.443 0.240 20 0 CCADLP O[C@@H]1CC[N@H+](C2CCN(CCC[NH+]3CCOCC3)CC2)C1 ZINC000662152913 414694025 /nfs/dbraw/zinc/69/40/25/414694025.db2.gz JBWCAXYKTIEHHH-MRXNPFEDSA-N 2 2 297.443 0.240 20 0 CCADLP O[C@@H]1CC[N@@H+](C2CC[NH+](CCCN3CCOCC3)CC2)C1 ZINC000662152913 414694026 /nfs/dbraw/zinc/69/40/26/414694026.db2.gz JBWCAXYKTIEHHH-MRXNPFEDSA-N 2 2 297.443 0.240 20 0 CCADLP O[C@@H]1CC[N@H+](C2CC[NH+](CCCN3CCOCC3)CC2)C1 ZINC000662152913 414694027 /nfs/dbraw/zinc/69/40/27/414694027.db2.gz JBWCAXYKTIEHHH-MRXNPFEDSA-N 2 2 297.443 0.240 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254364 414699934 /nfs/dbraw/zinc/69/99/34/414699934.db2.gz HOVUFSQLFHLLDN-NWDGAFQWSA-N 2 2 290.429 0.262 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254364 414699935 /nfs/dbraw/zinc/69/99/35/414699935.db2.gz HOVUFSQLFHLLDN-NWDGAFQWSA-N 2 2 290.429 0.262 20 0 CCADLP CCN1CCN(C2CC[NH+](C[C@H]3C[NH2+]CCO3)CC2)C1=O ZINC000662256201 414700344 /nfs/dbraw/zinc/70/03/44/414700344.db2.gz UFAGRRBZQMRGIU-CQSZACIVSA-N 2 2 296.415 0.197 20 0 CCADLP Cn1cc[nH+]c1[C@H]1N(C(=O)[C@H]2C[NH2+]CCO2)CC1(C)C ZINC000662757379 414765860 /nfs/dbraw/zinc/76/58/60/414765860.db2.gz LPRWARBTAAAOKE-GHMZBOCLSA-N 2 2 278.356 0.318 20 0 CCADLP CC(C)[NH2+]CC(=O)NCc1ccc[nH+]c1N(C)C ZINC000662385282 414713137 /nfs/dbraw/zinc/71/31/37/414713137.db2.gz QRSXNDPAUNFQNU-UHFFFAOYSA-N 2 2 250.346 0.762 20 0 CCADLP CC(C)OC[C@H]([NH3+])C(=O)NCCCCn1cc[nH+]c1 ZINC000662400197 414714466 /nfs/dbraw/zinc/71/44/66/414714466.db2.gz MKTQAFZTJXSMEC-LBPRGKRZSA-N 2 2 268.361 0.532 20 0 CCADLP Cc1ccncc1CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000662427662 414717648 /nfs/dbraw/zinc/71/76/48/414717648.db2.gz AISRZCALEURXGM-ZDUSSCGKSA-N 2 2 262.357 0.034 20 0 CCADLP Cc1ccncc1CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000662427662 414717649 /nfs/dbraw/zinc/71/76/49/414717649.db2.gz AISRZCALEURXGM-ZDUSSCGKSA-N 2 2 262.357 0.034 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2cc(C3CC3)no2)[C@@H](C[NH3+])C1 ZINC000662430511 414717925 /nfs/dbraw/zinc/71/79/25/414717925.db2.gz ZAUPAGBXUPHNKW-NSHDSACASA-N 2 2 278.356 0.196 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2cc(C3CC3)no2)[C@@H](C[NH3+])C1 ZINC000662430511 414717926 /nfs/dbraw/zinc/71/79/26/414717926.db2.gz ZAUPAGBXUPHNKW-NSHDSACASA-N 2 2 278.356 0.196 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)NCCCNc1cccc[nH+]1 ZINC000662457613 414719949 /nfs/dbraw/zinc/71/99/49/414719949.db2.gz BLFAFVSSFXGVLQ-LLVKDONJSA-N 2 2 250.346 0.998 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)c1cn[nH]c1[C@H]1CC[NH2+]C1 ZINC000662529023 414725605 /nfs/dbraw/zinc/72/56/05/414725605.db2.gz LZOKWVWQGZHNJZ-JTQLQIEISA-N 2 2 271.324 0.864 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)c2ccc(C[NH3+])cc2)[C@@H](C)CO1 ZINC000662630197 414735050 /nfs/dbraw/zinc/73/50/50/414735050.db2.gz JVWXJTJPUYNICH-QWHCGFSZSA-N 2 2 291.395 0.984 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(C[NH3+])cc2)[C@@H](C)CO1 ZINC000662630197 414735051 /nfs/dbraw/zinc/73/50/51/414735051.db2.gz JVWXJTJPUYNICH-QWHCGFSZSA-N 2 2 291.395 0.984 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCC1CC[NH2+]CC1 ZINC000662632880 414735441 /nfs/dbraw/zinc/73/54/41/414735441.db2.gz VOIVFPZDDKTNLQ-UHFFFAOYSA-N 3 2 298.475 0.766 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCC1CC[NH2+]CC1 ZINC000662632880 414735442 /nfs/dbraw/zinc/73/54/42/414735442.db2.gz VOIVFPZDDKTNLQ-UHFFFAOYSA-N 3 2 298.475 0.766 20 0 CCADLP [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000662658639 414737781 /nfs/dbraw/zinc/73/77/81/414737781.db2.gz GDQXQIJNTMPLIE-QWHCGFSZSA-N 2 2 290.367 0.094 20 0 CCADLP COCc1csc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000662664127 414738780 /nfs/dbraw/zinc/73/87/80/414738780.db2.gz OMGOAIFGVJQAQH-GFCCVEGCSA-N 2 2 285.413 0.790 20 0 CCADLP [NH3+]C1(CC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000662688812 414741396 /nfs/dbraw/zinc/74/13/96/414741396.db2.gz OYGUFKXZBANCQO-LBPRGKRZSA-N 2 2 267.373 0.191 20 0 CCADLP C[C@H]([C@H](C)NC(=O)C1([NH2+]C2CC2)CCC1)[NH+]1CCOCC1 ZINC000662719691 414746385 /nfs/dbraw/zinc/74/63/85/414746385.db2.gz AMCARAAJZYUKGC-QWHCGFSZSA-N 2 2 295.427 0.887 20 0 CCADLP O=C([C@@H]1CCC[NH2+]CC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662870412 414854831 /nfs/dbraw/zinc/85/48/31/414854831.db2.gz HECJAKQKFLBCBY-KGLIPLIRSA-N 2 2 281.400 0.309 20 0 CCADLP CC(C)[NH2+]CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662901000 414879201 /nfs/dbraw/zinc/87/92/01/414879201.db2.gz RJLIDAPCSZHGLL-HNNXBMFYSA-N 3 2 296.459 0.611 20 0 CCADLP CC(C)[NH2+]CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662901000 414879208 /nfs/dbraw/zinc/87/92/08/414879208.db2.gz RJLIDAPCSZHGLL-HNNXBMFYSA-N 3 2 296.459 0.611 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000662901081 414881378 /nfs/dbraw/zinc/88/13/78/414881378.db2.gz CSDIORWSVFTFLP-FZMZJTMJSA-N 2 2 280.372 0.706 20 0 CCADLP [NH3+][C@@H](C(=O)N(CC[NH+]1CCOCC1)CC1CC1)C1CCC1 ZINC000662910097 414884484 /nfs/dbraw/zinc/88/44/84/414884484.db2.gz KIAMXPAUTQJXTA-OAHLLOKOSA-N 2 2 295.427 0.685 20 0 CCADLP C[C@H]([NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1nccn1C ZINC000665283410 415585243 /nfs/dbraw/zinc/58/52/43/415585243.db2.gz NGSFGUWIELCTNE-DRZSPHRISA-N 2 2 264.373 0.838 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000353518220 287321148 /nfs/dbraw/zinc/32/11/48/287321148.db2.gz NBTIDEPELNBENY-KFWWJZLASA-N 2 2 295.427 0.698 20 0 CCADLP COc1ncccc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000037894064 544423678 /nfs/dbraw/zinc/42/36/78/544423678.db2.gz KVAXPAVPOAIGPI-CYBMUJFWSA-N 2 2 265.357 0.637 20 0 CCADLP CCC[NH+]1CCC([NH2+]CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000042314354 544428069 /nfs/dbraw/zinc/42/80/69/544428069.db2.gz NYUMDXWKVJKIJV-UHFFFAOYSA-N 3 2 282.432 0.224 20 0 CCADLP CCC[NH+]1CCC(NCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000042314354 544428075 /nfs/dbraw/zinc/42/80/75/544428075.db2.gz NYUMDXWKVJKIJV-UHFFFAOYSA-N 2 2 282.432 0.224 20 0 CCADLP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000088276517 544505242 /nfs/dbraw/zinc/50/52/42/544505242.db2.gz BQFJYPXZLPNMRZ-KBPBESRZSA-N 2 2 285.432 0.834 20 0 CCADLP COCC[C@@H](C)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000088577654 544508339 /nfs/dbraw/zinc/50/83/39/544508339.db2.gz BRTHHHIEPVMGRE-GFCCVEGCSA-N 2 2 257.378 0.117 20 0 CCADLP CC(C)n1ncnc1C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000088602572 544508677 /nfs/dbraw/zinc/50/86/77/544508677.db2.gz BWUYVAPGTQCTDW-GFCCVEGCSA-N 2 2 294.403 0.146 20 0 CCADLP CC(C)n1ncnc1C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000088602572 544508681 /nfs/dbraw/zinc/50/86/81/544508681.db2.gz BWUYVAPGTQCTDW-GFCCVEGCSA-N 2 2 294.403 0.146 20 0 CCADLP CCOc1cccc(N2CC[NH+](CCC[NH3+])CC2)n1 ZINC000104119275 544558435 /nfs/dbraw/zinc/55/84/35/544558435.db2.gz NLYCDQJIZWUIFY-UHFFFAOYSA-N 2 2 264.373 0.951 20 0 CCADLP C[N@H+](CCOc1ccccc1)C[C@H]1C[NH2+]CCO1 ZINC000131059295 544617878 /nfs/dbraw/zinc/61/78/78/544617878.db2.gz PLJJHVIAEUOPDU-CQSZACIVSA-N 2 2 250.342 0.986 20 0 CCADLP C[N@@H+](CCOc1ccccc1)C[C@H]1C[NH2+]CCO1 ZINC000131059295 544617881 /nfs/dbraw/zinc/61/78/81/544617881.db2.gz PLJJHVIAEUOPDU-CQSZACIVSA-N 2 2 250.342 0.986 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CC(C)(C)S(C)(=O)=O)CC[N@@H+]1C ZINC000156610665 544679579 /nfs/dbraw/zinc/67/95/79/544679579.db2.gz SZEWEWILOIOHMJ-WDEREUQCSA-N 2 2 262.419 0.882 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CC(C)(C)S(C)(=O)=O)CC[N@H+]1C ZINC000156610665 544679580 /nfs/dbraw/zinc/67/95/80/544679580.db2.gz SZEWEWILOIOHMJ-WDEREUQCSA-N 2 2 262.419 0.882 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000139597844 544643462 /nfs/dbraw/zinc/64/34/62/544643462.db2.gz GGKNXUCWXBYZGS-SNVBAGLBSA-N 2 2 276.262 0.610 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000333871369 287623400 /nfs/dbraw/zinc/62/34/00/287623400.db2.gz UQKPUXWKEIWPRG-AGIUHOORSA-N 2 2 291.399 0.917 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@H]([NH3+])CC(C)C)CC1 ZINC000237096983 544891316 /nfs/dbraw/zinc/89/13/16/544891316.db2.gz LJLAUVIOORIBHP-GFCCVEGCSA-N 2 2 257.378 0.150 20 0 CCADLP C[N@H+](C[C@H]1C[NH2+]CCO1)C[C@H]1COc2ccccc2O1 ZINC000250491404 544923051 /nfs/dbraw/zinc/92/30/51/544923051.db2.gz YCFAMNXIQKYHCV-OLZOCXBDSA-N 2 2 278.352 0.747 20 0 CCADLP C[N@@H+](C[C@H]1C[NH2+]CCO1)C[C@H]1COc2ccccc2O1 ZINC000250491404 544923053 /nfs/dbraw/zinc/92/30/53/544923053.db2.gz YCFAMNXIQKYHCV-OLZOCXBDSA-N 2 2 278.352 0.747 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H](C)[N@H+]1C ZINC000293856475 544973408 /nfs/dbraw/zinc/97/34/08/544973408.db2.gz AXRKXPUXZADYJC-PHIMTYICSA-N 2 2 250.346 0.893 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H](C)[N@@H+]1C ZINC000293856475 544973410 /nfs/dbraw/zinc/97/34/10/544973410.db2.gz AXRKXPUXZADYJC-PHIMTYICSA-N 2 2 250.346 0.893 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H](C)[N@H+]1C ZINC000293856475 544973413 /nfs/dbraw/zinc/97/34/13/544973413.db2.gz AXRKXPUXZADYJC-PHIMTYICSA-N 2 2 250.346 0.893 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H](C)[N@@H+]1C ZINC000293856475 544973417 /nfs/dbraw/zinc/97/34/17/544973417.db2.gz AXRKXPUXZADYJC-PHIMTYICSA-N 2 2 250.346 0.893 20 0 CCADLP Cc1ccoc1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000311020979 545012335 /nfs/dbraw/zinc/01/23/35/545012335.db2.gz QWPFAHJUHBPHRN-UHFFFAOYSA-N 2 2 251.330 0.452 20 0 CCADLP CC(C)[C@H](CCO)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000355056318 545074429 /nfs/dbraw/zinc/07/44/29/545074429.db2.gz MXXHJSZRRUPPMH-BARDWOONSA-N 2 2 288.432 0.453 20 0 CCADLP CC(C)[C@H](CCO)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000355056318 545074431 /nfs/dbraw/zinc/07/44/31/545074431.db2.gz MXXHJSZRRUPPMH-BARDWOONSA-N 2 2 288.432 0.453 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN2CC[N@H+](C)[C@H](C)[C@@H]2C)C[C@@H](C)O1 ZINC000356996781 545078244 /nfs/dbraw/zinc/07/82/44/545078244.db2.gz HXKXFMAOXSNFHQ-SUJAAXHWSA-N 2 2 299.459 0.481 20 0 CCADLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(=O)N1CCCC[C@H]1C ZINC000521427000 262328974 /nfs/dbraw/zinc/32/89/74/262328974.db2.gz XCRLSVLESBHMIK-IPYPFGDCSA-N 2 2 297.443 0.821 20 0 CCADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(=O)N1CCCC[C@H]1C ZINC000521427000 262328975 /nfs/dbraw/zinc/32/89/75/262328975.db2.gz XCRLSVLESBHMIK-IPYPFGDCSA-N 2 2 297.443 0.821 20 0 CCADLP c1cc2c(nc[nH+]c2N2CC[N@H+]3CCOC[C@H]3C2)[nH]1 ZINC000371804733 275065108 /nfs/dbraw/zinc/06/51/08/275065108.db2.gz ZMYAJEFGCKKZQR-SNVBAGLBSA-N 2 2 259.313 0.479 20 0 CCADLP c1cc2c(nc[nH+]c2N2CC[N@@H+]3CCOC[C@H]3C2)[nH]1 ZINC000371804733 275065109 /nfs/dbraw/zinc/06/51/09/275065109.db2.gz ZMYAJEFGCKKZQR-SNVBAGLBSA-N 2 2 259.313 0.479 20 0 CCADLP C([NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)[C@@H]1CCC[NH2+]C1 ZINC000423207079 275395772 /nfs/dbraw/zinc/39/57/72/275395772.db2.gz GOOJDVWSDRILKB-MRVWCRGKSA-N 3 2 253.390 0.343 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000415118188 275587770 /nfs/dbraw/zinc/58/77/70/275587770.db2.gz WCACSORFBBUKBR-OLZOCXBDSA-N 2 2 293.415 0.879 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)C[C@H](C)OC)CC1 ZINC000353209480 276191103 /nfs/dbraw/zinc/19/11/03/276191103.db2.gz YTUSEKOSUXUEBO-STQMWFEESA-N 2 2 271.405 0.506 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@H](C)OC)CC1 ZINC000353209480 276191105 /nfs/dbraw/zinc/19/11/05/276191105.db2.gz YTUSEKOSUXUEBO-STQMWFEESA-N 2 2 271.405 0.506 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)C(=O)OC)C2)CC1 ZINC000107368896 276198815 /nfs/dbraw/zinc/19/88/15/276198815.db2.gz UOCKQCTWBLKXGT-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)C(=O)OC)C2)CC1 ZINC000107368896 276198816 /nfs/dbraw/zinc/19/88/16/276198816.db2.gz UOCKQCTWBLKXGT-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000430419086 276204525 /nfs/dbraw/zinc/20/45/25/276204525.db2.gz AGKMUGPKPGEYIH-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000430419086 276204526 /nfs/dbraw/zinc/20/45/26/276204526.db2.gz AGKMUGPKPGEYIH-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000357143464 276207151 /nfs/dbraw/zinc/20/71/51/276207151.db2.gz KGCHQTHDFOBZBD-CHWSQXEVSA-N 2 2 282.432 0.269 20 0 CCADLP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263039977 276330747 /nfs/dbraw/zinc/33/07/47/276330747.db2.gz STKVRLSPNLDLBK-ZJUUUORDSA-N 2 2 263.332 0.830 20 0 CCADLP C(C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)CN1CCOCC1 ZINC000422729365 276811686 /nfs/dbraw/zinc/81/16/86/276811686.db2.gz HSJRQZZFCXEHQV-LSDHHAIUSA-N 2 2 283.416 0.065 20 0 CCADLP CC(=O)NCCC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112201407 277030311 /nfs/dbraw/zinc/03/03/11/277030311.db2.gz YQAAUFPUZDHPMV-HNNXBMFYSA-N 2 2 283.416 0.557 20 0 CCADLP CC(=O)NCCC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112201407 277030312 /nfs/dbraw/zinc/03/03/12/277030312.db2.gz YQAAUFPUZDHPMV-HNNXBMFYSA-N 2 2 283.416 0.557 20 0 CCADLP COCC1(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CCOCC1 ZINC000491591598 277199447 /nfs/dbraw/zinc/19/94/47/277199447.db2.gz MRULDHHXPQGTEE-QWHCGFSZSA-N 2 2 256.390 0.969 20 0 CCADLP COCC1(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CCOCC1 ZINC000491591598 277199449 /nfs/dbraw/zinc/19/94/49/277199449.db2.gz MRULDHHXPQGTEE-QWHCGFSZSA-N 2 2 256.390 0.969 20 0 CCADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000426769188 278099873 /nfs/dbraw/zinc/09/98/73/278099873.db2.gz GSBWVOWFWZRZKM-UKRRQHHQSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089451284 278222504 /nfs/dbraw/zinc/22/25/04/278222504.db2.gz KXOHROAZXTUQMW-IJLUTSLNSA-N 2 2 250.346 0.763 20 0 CCADLP C[C@@H](C[NH3+])CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000423469816 278245211 /nfs/dbraw/zinc/24/52/11/278245211.db2.gz YWHKNBRICFXFPN-WCQYABFASA-N 2 2 269.389 0.198 20 0 CCADLP C[C@@H](C[NH3+])CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000423469816 278245212 /nfs/dbraw/zinc/24/52/12/278245212.db2.gz YWHKNBRICFXFPN-WCQYABFASA-N 2 2 269.389 0.198 20 0 CCADLP C[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@@H+]1CC(C)(C)O ZINC000492771483 278391339 /nfs/dbraw/zinc/39/13/39/278391339.db2.gz SBBXEGKUUXGJKQ-RXNFCKPNSA-N 2 2 292.383 0.727 20 0 CCADLP C[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@H+]1CC(C)(C)O ZINC000492771483 278391340 /nfs/dbraw/zinc/39/13/40/278391340.db2.gz SBBXEGKUUXGJKQ-RXNFCKPNSA-N 2 2 292.383 0.727 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000353095698 288098078 /nfs/dbraw/zinc/09/80/78/288098078.db2.gz XVWGVJYXZDEMBD-IJLUTSLNSA-N 2 2 295.349 0.789 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000353095698 288098080 /nfs/dbraw/zinc/09/80/80/288098080.db2.gz XVWGVJYXZDEMBD-IJLUTSLNSA-N 2 2 295.349 0.789 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1CC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000343581095 288100052 /nfs/dbraw/zinc/10/00/52/288100052.db2.gz LMUFCYTXAYBILI-LJISPDSOSA-N 2 2 267.417 0.874 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1CC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000343581095 288100054 /nfs/dbraw/zinc/10/00/54/288100054.db2.gz LMUFCYTXAYBILI-LJISPDSOSA-N 2 2 267.417 0.874 20 0 CCADLP C[C@@H]1C[NH+](C)[C@@H](C)CN1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000343581095 288100055 /nfs/dbraw/zinc/10/00/55/288100055.db2.gz LMUFCYTXAYBILI-LJISPDSOSA-N 2 2 267.417 0.874 20 0 CCADLP C[C@@H]1C[NH+](C)[C@@H](C)CN1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000343581095 288100058 /nfs/dbraw/zinc/10/00/58/288100058.db2.gz LMUFCYTXAYBILI-LJISPDSOSA-N 2 2 267.417 0.874 20 0 CCADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC000347448105 279109833 /nfs/dbraw/zinc/10/98/33/279109833.db2.gz VTOOXIMOOKRXHZ-GFCCVEGCSA-N 2 2 297.403 0.041 20 0 CCADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC000347448105 279109835 /nfs/dbraw/zinc/10/98/35/279109835.db2.gz VTOOXIMOOKRXHZ-GFCCVEGCSA-N 2 2 297.403 0.041 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000178862257 279176758 /nfs/dbraw/zinc/17/67/58/279176758.db2.gz RUQPKWLODUIALO-RDBSUJKOSA-N 2 2 283.416 0.539 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000037008732 279177754 /nfs/dbraw/zinc/17/77/54/279177754.db2.gz LTUGFVXRXUXOCM-RYUDHWBXSA-N 2 2 257.378 0.197 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000414755986 279180636 /nfs/dbraw/zinc/18/06/36/279180636.db2.gz IPIDCVLRLGUQEP-RVMXOQNASA-N 2 2 253.390 0.946 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000414755986 279180638 /nfs/dbraw/zinc/18/06/38/279180638.db2.gz IPIDCVLRLGUQEP-RVMXOQNASA-N 2 2 253.390 0.946 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261833545 279238897 /nfs/dbraw/zinc/23/88/97/279238897.db2.gz ZBFJKXDTVHQJOU-ZWNOBZJWSA-N 2 2 263.345 0.474 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261833545 279238899 /nfs/dbraw/zinc/23/88/99/279238899.db2.gz ZBFJKXDTVHQJOU-ZWNOBZJWSA-N 2 2 263.345 0.474 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413966457 279352545 /nfs/dbraw/zinc/35/25/45/279352545.db2.gz KZIKWBKTWAMQEK-UHFFFAOYSA-N 2 2 271.405 0.554 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413966457 279352546 /nfs/dbraw/zinc/35/25/46/279352546.db2.gz KZIKWBKTWAMQEK-UHFFFAOYSA-N 2 2 271.405 0.554 20 0 CCADLP [NH3+]C[C@H](NC(=O)CCn1cc[nH+]c1)C1CCCC1 ZINC000236249439 279646086 /nfs/dbraw/zinc/64/60/86/279646086.db2.gz BECCSFIJKVBXLU-LBPRGKRZSA-N 2 2 250.346 0.907 20 0 CCADLP O=C([C@H]1CCCO1)N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346833781 280133100 /nfs/dbraw/zinc/13/31/00/280133100.db2.gz MPAHTPSUQRCNPD-ZIAGYGMSSA-N 2 2 281.400 0.309 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@@H+]1CCOCC1(C)C)[C@@H](C)[NH3+] ZINC000423365440 280171005 /nfs/dbraw/zinc/17/10/05/280171005.db2.gz BTLQBNWERQGBHP-OLZOCXBDSA-N 2 2 285.432 0.833 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@H+]1CCOCC1(C)C)[C@@H](C)[NH3+] ZINC000423365440 280171009 /nfs/dbraw/zinc/17/10/09/280171009.db2.gz BTLQBNWERQGBHP-OLZOCXBDSA-N 2 2 285.432 0.833 20 0 CCADLP C[NH+](C)[C@@H](C[NH2+][C@H]1CCC(=O)NC1(C)C)C1CC1 ZINC000494888908 289288879 /nfs/dbraw/zinc/28/88/79/289288879.db2.gz JJTCUWCHVPELOW-RYUDHWBXSA-N 2 2 253.390 0.973 20 0 CCADLP C[NH+]1CCc2ncnc(N3CC[C@H]4CC[N@@H+](C)C[C@H]43)c2C1 ZINC000272147026 290257334 /nfs/dbraw/zinc/25/73/34/290257334.db2.gz CNODMUSSEKBWCP-IUODEOHRSA-N 2 2 287.411 0.995 20 0 CCADLP C[NH+]1CCc2ncnc(N3CC[C@H]4CC[N@H+](C)C[C@H]43)c2C1 ZINC000272147026 290257339 /nfs/dbraw/zinc/25/73/39/290257339.db2.gz CNODMUSSEKBWCP-IUODEOHRSA-N 2 2 287.411 0.995 20 0 CCADLP C[NH+]1CC[C@@H]2CCN(c3ncnc4c3C[N@H+](C)CC4)[C@@H]2C1 ZINC000272147026 290257342 /nfs/dbraw/zinc/25/73/42/290257342.db2.gz CNODMUSSEKBWCP-IUODEOHRSA-N 2 2 287.411 0.995 20 0 CCADLP C[NH+]1CC[C@@H]2CCN(c3ncnc4c3C[N@@H+](C)CC4)[C@@H]2C1 ZINC000272147026 290257344 /nfs/dbraw/zinc/25/73/44/290257344.db2.gz CNODMUSSEKBWCP-IUODEOHRSA-N 2 2 287.411 0.995 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)CCS1 ZINC000192175749 335091287 /nfs/dbraw/zinc/09/12/87/335091287.db2.gz HXVZDPVYIHEGOY-GFCCVEGCSA-N 2 2 271.430 0.588 20 0 CCADLP COC1(CO)CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000401774057 545090474 /nfs/dbraw/zinc/09/04/74/545090474.db2.gz QVZYTMDBUOEHAD-CYBMUJFWSA-N 2 2 274.405 0.161 20 0 CCADLP COC1(CO)CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000401774057 545090475 /nfs/dbraw/zinc/09/04/75/545090475.db2.gz QVZYTMDBUOEHAD-CYBMUJFWSA-N 2 2 274.405 0.161 20 0 CCADLP CO[C@@]1(CO)CCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000401791345 545090500 /nfs/dbraw/zinc/09/05/00/545090500.db2.gz HGLZJFMPLZOMLZ-KBPBESRZSA-N 2 2 274.405 0.161 20 0 CCADLP CO[C@@]1(CO)CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000401791345 545090501 /nfs/dbraw/zinc/09/05/01/545090501.db2.gz HGLZJFMPLZOMLZ-KBPBESRZSA-N 2 2 274.405 0.161 20 0 CCADLP CO[C@@]1(CO)CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000401791345 545090502 /nfs/dbraw/zinc/09/05/02/545090502.db2.gz HGLZJFMPLZOMLZ-KBPBESRZSA-N 2 2 274.405 0.161 20 0 CCADLP CO[C@@]1(CO)CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000401791345 545090503 /nfs/dbraw/zinc/09/05/03/545090503.db2.gz HGLZJFMPLZOMLZ-KBPBESRZSA-N 2 2 274.405 0.161 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@](O)(C(F)(F)F)C1 ZINC000388773900 545086406 /nfs/dbraw/zinc/08/64/06/545086406.db2.gz PMCKERPFYFHQDD-WDEREUQCSA-N 2 2 284.322 0.687 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@](O)(C(F)(F)F)C1 ZINC000388773900 545086407 /nfs/dbraw/zinc/08/64/07/545086407.db2.gz PMCKERPFYFHQDD-WDEREUQCSA-N 2 2 284.322 0.687 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000388773900 545086408 /nfs/dbraw/zinc/08/64/08/545086408.db2.gz PMCKERPFYFHQDD-WDEREUQCSA-N 2 2 284.322 0.687 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000388773900 545086409 /nfs/dbraw/zinc/08/64/09/545086409.db2.gz PMCKERPFYFHQDD-WDEREUQCSA-N 2 2 284.322 0.687 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@](C)(C(N)=O)C(C)C ZINC000394048416 545087694 /nfs/dbraw/zinc/08/76/94/545087694.db2.gz KSXHWVNHRHNSGF-WCQYABFASA-N 2 2 259.394 0.177 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@](C)(C(N)=O)C(C)C ZINC000394048416 545087695 /nfs/dbraw/zinc/08/76/95/545087695.db2.gz KSXHWVNHRHNSGF-WCQYABFASA-N 2 2 259.394 0.177 20 0 CCADLP C[C@H]1CN(C(=O)/C=C\c2[nH]cc[nH+]2)CC[N@@H+]1CC(C)(C)O ZINC000493146596 300093817 /nfs/dbraw/zinc/09/38/17/300093817.db2.gz HFSMKJNXXSUQSH-RXNFCKPNSA-N 2 2 292.383 0.727 20 0 CCADLP C[C@H]1CN(C(=O)/C=C\c2[nH]cc[nH+]2)CC[N@H+]1CC(C)(C)O ZINC000493146596 300093819 /nfs/dbraw/zinc/09/38/19/300093819.db2.gz HFSMKJNXXSUQSH-RXNFCKPNSA-N 2 2 292.383 0.727 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1(C)C ZINC000333862278 303000024 /nfs/dbraw/zinc/00/00/24/303000024.db2.gz SIPFCMWZIWVRNS-QCNOEVLYSA-N 2 2 289.383 0.730 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCSC[C@H]1C(N)=O ZINC000583701345 329092993 /nfs/dbraw/zinc/09/29/93/329092993.db2.gz LHVIXVFIVKCWBG-NSHDSACASA-N 2 2 268.386 0.255 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCSC[C@H]1C(N)=O ZINC000583701345 329092994 /nfs/dbraw/zinc/09/29/94/329092994.db2.gz LHVIXVFIVKCWBG-NSHDSACASA-N 2 2 268.386 0.255 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1COC ZINC000395996713 329306180 /nfs/dbraw/zinc/30/61/80/329306180.db2.gz ICOUBCSAWRQPEU-UONOGXRCSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1COC ZINC000395996713 329306181 /nfs/dbraw/zinc/30/61/81/329306181.db2.gz ICOUBCSAWRQPEU-UONOGXRCSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@H]1COC ZINC000395996713 329306182 /nfs/dbraw/zinc/30/61/82/329306182.db2.gz ICOUBCSAWRQPEU-UONOGXRCSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@H]1COC ZINC000395996713 329306183 /nfs/dbraw/zinc/30/61/83/329306183.db2.gz ICOUBCSAWRQPEU-UONOGXRCSA-N 2 2 274.405 0.426 20 0 CCADLP CCC(CC)(CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])OC ZINC000584281638 327215733 /nfs/dbraw/zinc/21/57/33/327215733.db2.gz KEKBWYWABAAICS-GFCCVEGCSA-N 2 2 286.420 0.476 20 0 CCADLP CCC(CC)(CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])OC ZINC000584281638 327215734 /nfs/dbraw/zinc/21/57/34/327215734.db2.gz KEKBWYWABAAICS-GFCCVEGCSA-N 2 2 286.420 0.476 20 0 CCADLP CC[C@@]1(C(=O)N(C)Cc2[nH+]ccn2C)CCC[NH2+]1 ZINC000215340482 327228246 /nfs/dbraw/zinc/22/82/46/327228246.db2.gz VAYMMJVFNQZECL-ZDUSSCGKSA-N 2 2 250.346 0.911 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000577861981 327284036 /nfs/dbraw/zinc/28/40/36/327284036.db2.gz SPWPDCIDUYTUIW-KBPBESRZSA-N 2 2 270.348 0.761 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000577861981 327284037 /nfs/dbraw/zinc/28/40/37/327284037.db2.gz SPWPDCIDUYTUIW-KBPBESRZSA-N 2 2 270.348 0.761 20 0 CCADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](C[C@H]2CCCNC2=O)CC1 ZINC000574050750 327285662 /nfs/dbraw/zinc/28/56/62/327285662.db2.gz KOSUGSMISQLJJZ-ZIAGYGMSSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](C[C@H]2CCCNC2=O)CC1 ZINC000574050750 327285663 /nfs/dbraw/zinc/28/56/63/327285663.db2.gz KOSUGSMISQLJJZ-ZIAGYGMSSA-N 2 2 295.427 0.698 20 0 CCADLP O[C@H](C[NH2+]Cc1ccn2cc[nH+]c2c1)CN1CCOCC1 ZINC000574566907 327349663 /nfs/dbraw/zinc/34/96/63/327349663.db2.gz WGMKPRRFEPMNAF-CQSZACIVSA-N 2 2 290.367 0.117 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)NCCn1cc[nH+]c1C ZINC000583425941 327358193 /nfs/dbraw/zinc/35/81/93/327358193.db2.gz VJPDVMYAGRYAHF-ZDUSSCGKSA-N 2 2 279.388 0.927 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCCn1cc[nH+]c1C ZINC000583425941 327358194 /nfs/dbraw/zinc/35/81/94/327358194.db2.gz VJPDVMYAGRYAHF-ZDUSSCGKSA-N 2 2 279.388 0.927 20 0 CCADLP C[C@H](c1nnnn1C1CC1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000583431173 327360763 /nfs/dbraw/zinc/36/07/63/327360763.db2.gz CGWKJFPGHIUMOY-GMTAPVOTSA-N 2 2 264.377 0.986 20 0 CCADLP C[C@H](c1nnnn1C1CC1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000583431173 327360765 /nfs/dbraw/zinc/36/07/65/327360765.db2.gz CGWKJFPGHIUMOY-GMTAPVOTSA-N 2 2 264.377 0.986 20 0 CCADLP C[C@H](C(=O)NCCC[N@H+](C)CCN(C)C)[NH+]1CC(C)C1 ZINC000583450269 327373440 /nfs/dbraw/zinc/37/34/40/327373440.db2.gz KJJNRTKTHJJGLK-CQSZACIVSA-N 2 2 284.448 0.326 20 0 CCADLP C[C@H](C(=O)NCCC[N@@H+](C)CCN(C)C)[NH+]1CC(C)C1 ZINC000583450269 327373442 /nfs/dbraw/zinc/37/34/42/327373442.db2.gz KJJNRTKTHJJGLK-CQSZACIVSA-N 2 2 284.448 0.326 20 0 CCADLP C[C@H](C(=O)NCCCN(C)CC[NH+](C)C)[NH+]1CC(C)C1 ZINC000583450269 327373444 /nfs/dbraw/zinc/37/34/44/327373444.db2.gz KJJNRTKTHJJGLK-CQSZACIVSA-N 2 2 284.448 0.326 20 0 CCADLP [NH3+]Cc1nnc(-c2ccc(NC(=O)C[NH2+]C3CC3)cc2)[nH]1 ZINC000582545555 329104930 /nfs/dbraw/zinc/10/49/30/329104930.db2.gz QTCFYHAFWARIAF-UHFFFAOYSA-N 2 2 286.339 0.621 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCCC2CCOCC2)[C@@H](C[NH3+])C1 ZINC000582724045 329130971 /nfs/dbraw/zinc/13/09/71/329130971.db2.gz ZVJDLGCEJDQMCR-AWEZNQCLSA-N 2 2 283.416 0.685 20 0 CCADLP C[N@H+]1CCN(C(=O)CCCC2CCOCC2)[C@@H](C[NH3+])C1 ZINC000582724045 329130972 /nfs/dbraw/zinc/13/09/72/329130972.db2.gz ZVJDLGCEJDQMCR-AWEZNQCLSA-N 2 2 283.416 0.685 20 0 CCADLP CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1c[nH+]c(C)n1C ZINC000582975155 329297539 /nfs/dbraw/zinc/29/75/39/329297539.db2.gz DNYDBQZQYKXDTA-DGCLKSJQSA-N 2 2 253.346 0.870 20 0 CCADLP Cc1ccccc1NCCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000583027412 329304367 /nfs/dbraw/zinc/30/43/67/329304367.db2.gz NHVLADWMLODIDK-AWEZNQCLSA-N 2 2 290.411 0.898 20 0 CCADLP Cc1ccccc1NCCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000583027412 329304368 /nfs/dbraw/zinc/30/43/68/329304368.db2.gz NHVLADWMLODIDK-AWEZNQCLSA-N 2 2 290.411 0.898 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000583750294 329472960 /nfs/dbraw/zinc/47/29/60/329472960.db2.gz HGQSZGFZOOSVJW-MNOVXSKESA-N 2 2 266.345 0.827 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000580421254 330128928 /nfs/dbraw/zinc/12/89/28/330128928.db2.gz ZWNFQCQDPZCURA-TXEJJXNPSA-N 2 2 277.372 0.939 20 0 CCADLP [NH3+]CC(F)(F)CC(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000575325601 335093910 /nfs/dbraw/zinc/09/39/10/335093910.db2.gz QWGZPNOFOLSWGS-LURJTMIESA-N 2 2 257.231 0.036 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000575326293 335094289 /nfs/dbraw/zinc/09/42/89/335094289.db2.gz MQCHKUJMVLGPHD-QLFBSQMISA-N 2 2 286.416 0.569 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000575326293 335094291 /nfs/dbraw/zinc/09/42/91/335094291.db2.gz MQCHKUJMVLGPHD-QLFBSQMISA-N 2 2 286.416 0.569 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000575326293 335094293 /nfs/dbraw/zinc/09/42/93/335094293.db2.gz MQCHKUJMVLGPHD-QLFBSQMISA-N 2 2 286.416 0.569 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000575326293 335094294 /nfs/dbraw/zinc/09/42/94/335094294.db2.gz MQCHKUJMVLGPHD-QLFBSQMISA-N 2 2 286.416 0.569 20 0 CCADLP C(CN1CCOCC1)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000575872155 335126697 /nfs/dbraw/zinc/12/66/97/335126697.db2.gz HDJGTMYQHHCMNA-UHFFFAOYSA-N 2 2 253.390 0.537 20 0 CCADLP CC[C@]1(CO)CCC[N@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000575878522 335127357 /nfs/dbraw/zinc/12/73/57/335127357.db2.gz RCDCZXSWEBKIQU-CABCVRRESA-N 2 2 288.432 0.410 20 0 CCADLP CC[C@]1(CO)CCC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000575878522 335127358 /nfs/dbraw/zinc/12/73/58/335127358.db2.gz RCDCZXSWEBKIQU-CABCVRRESA-N 2 2 288.432 0.410 20 0 CCADLP CC[C@]1(CO)CCC[NH+](C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000575878522 335127359 /nfs/dbraw/zinc/12/73/59/335127359.db2.gz RCDCZXSWEBKIQU-CABCVRRESA-N 2 2 288.432 0.410 20 0 CCADLP CC[C@]1(CO)CCC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000575878522 335127360 /nfs/dbraw/zinc/12/73/60/335127360.db2.gz RCDCZXSWEBKIQU-CABCVRRESA-N 2 2 288.432 0.410 20 0 CCADLP OCCNc1nc(NCCn2cc[nH+]c2)[nH+]c2ccccc21 ZINC000543695430 333889003 /nfs/dbraw/zinc/88/90/03/333889003.db2.gz FRBPLJOMOFULEO-UHFFFAOYSA-N 2 2 298.350 0.186 20 0 CCADLP C[C@@H](C[NH2+]CCCC[NH+]1CCOCC1)S(C)(=O)=O ZINC000566106174 334622836 /nfs/dbraw/zinc/62/28/36/334622836.db2.gz IZOLJDCUXFNTOK-LBPRGKRZSA-N 2 2 278.418 0.122 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000576451332 335204876 /nfs/dbraw/zinc/20/48/76/335204876.db2.gz VQQWLKOAAINYRG-ZFWWWQNUSA-N 2 2 298.431 0.396 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000576451332 335204878 /nfs/dbraw/zinc/20/48/78/335204878.db2.gz VQQWLKOAAINYRG-ZFWWWQNUSA-N 2 2 298.431 0.396 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)n1C ZINC000576466242 335207553 /nfs/dbraw/zinc/20/75/53/335207553.db2.gz VZLFTBKKGZZXQS-GFCCVEGCSA-N 2 2 293.415 0.975 20 0 CCADLP CC[NH+]1CCC(CNC(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000576532221 335216362 /nfs/dbraw/zinc/21/63/62/335216362.db2.gz JVHWRVVEWCXDCI-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2C2CCC2)[C@@H](C[NH3+])C1 ZINC000576593785 335223779 /nfs/dbraw/zinc/22/37/79/335223779.db2.gz ZVRVFIZMAGWKBV-RWMBFGLXSA-N 2 2 251.374 0.524 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+](CCO)Cc1cccc(F)c1 ZINC000576644954 335230329 /nfs/dbraw/zinc/23/03/29/335230329.db2.gz OEYZVSKEKDDMJP-OAHLLOKOSA-N 2 2 284.375 0.933 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](CCO)Cc1cccc(F)c1 ZINC000576644954 335230330 /nfs/dbraw/zinc/23/03/30/335230330.db2.gz OEYZVSKEKDDMJP-OAHLLOKOSA-N 2 2 284.375 0.933 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](CCO)Cc1cccc(F)c1 ZINC000576644954 335230332 /nfs/dbraw/zinc/23/03/32/335230332.db2.gz OEYZVSKEKDDMJP-OAHLLOKOSA-N 2 2 284.375 0.933 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](CCO)Cc1cccc(F)c1 ZINC000576644954 335230334 /nfs/dbraw/zinc/23/03/34/335230334.db2.gz OEYZVSKEKDDMJP-OAHLLOKOSA-N 2 2 284.375 0.933 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1C(=O)NC1CC1 ZINC000576928792 335264901 /nfs/dbraw/zinc/26/49/01/335264901.db2.gz QFXSPYJSUMSIQJ-OLZOCXBDSA-N 2 2 269.389 0.042 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1C(=O)NC1CC1 ZINC000576928792 335264902 /nfs/dbraw/zinc/26/49/02/335264902.db2.gz QFXSPYJSUMSIQJ-OLZOCXBDSA-N 2 2 269.389 0.042 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000576928792 335264903 /nfs/dbraw/zinc/26/49/03/335264903.db2.gz QFXSPYJSUMSIQJ-OLZOCXBDSA-N 2 2 269.389 0.042 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000576928792 335264904 /nfs/dbraw/zinc/26/49/04/335264904.db2.gz QFXSPYJSUMSIQJ-OLZOCXBDSA-N 2 2 269.389 0.042 20 0 CCADLP [NH3+][C@H]1CCC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC000577066529 335294493 /nfs/dbraw/zinc/29/44/93/335294493.db2.gz VJOWIZSVOCHUFE-RYUDHWBXSA-N 2 2 250.346 0.907 20 0 CCADLP COc1c(N)[nH+]cnc1NC[C@H](CC(C)C)[NH+](C)C ZINC000577124053 335304737 /nfs/dbraw/zinc/30/47/37/335304737.db2.gz FIUUTOFYRZTHKW-JTQLQIEISA-N 2 2 267.377 0.878 20 0 CCADLP CCCCNC(=O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177380190 335371337 /nfs/dbraw/zinc/37/13/37/335371337.db2.gz WMVQIRUTRRMZNK-UHFFFAOYSA-N 2 2 298.475 0.861 20 0 CCADLP CCCCNC(=O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177380190 335371338 /nfs/dbraw/zinc/37/13/38/335371338.db2.gz WMVQIRUTRRMZNK-UHFFFAOYSA-N 2 2 298.475 0.861 20 0 CCADLP CCCCNC(=O)CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177380190 335371339 /nfs/dbraw/zinc/37/13/39/335371339.db2.gz WMVQIRUTRRMZNK-UHFFFAOYSA-N 2 2 298.475 0.861 20 0 CCADLP CCCCNC(=O)CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177380190 335371340 /nfs/dbraw/zinc/37/13/40/335371340.db2.gz WMVQIRUTRRMZNK-UHFFFAOYSA-N 2 2 298.475 0.861 20 0 CCADLP OCC[NH+]1CCN(CCCC[NH2+]CC2(O)CCCC2)CC1 ZINC000577602695 335376564 /nfs/dbraw/zinc/37/65/64/335376564.db2.gz KAISMIKQDSQYSJ-UHFFFAOYSA-N 2 2 299.459 0.271 20 0 CCADLP C[C@H]1C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC[C@H]1[NH3+] ZINC000577634100 335383466 /nfs/dbraw/zinc/38/34/66/335383466.db2.gz BVJBJHLZHKRCLM-UKMLZYKCSA-N 3 2 277.412 0.586 20 0 CCADLP C[C@H]1C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC[C@H]1[NH3+] ZINC000577634100 335383468 /nfs/dbraw/zinc/38/34/68/335383468.db2.gz BVJBJHLZHKRCLM-UKMLZYKCSA-N 3 2 277.412 0.586 20 0 CCADLP O=S1(=O)CCC[C@@H](C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)C1 ZINC000577960485 335440078 /nfs/dbraw/zinc/44/00/78/335440078.db2.gz JBKGFZHDYKQMCC-LBPRGKRZSA-N 2 2 298.412 0.357 20 0 CCADLP C[C@H](CC(=O)N1CC[NH2+]C[C@@H]1C(F)F)n1cc[nH+]c1 ZINC000579488144 335772088 /nfs/dbraw/zinc/77/20/88/335772088.db2.gz HOOMGRJIMDFTIN-NXEZZACHSA-N 2 2 272.299 0.900 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])[C@@H]([NH3+])c1ccccc1 ZINC000581061676 336001974 /nfs/dbraw/zinc/00/19/74/336001974.db2.gz PZLSLCJBNUWAHX-AEGPPILISA-N 3 2 290.411 0.424 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])[C@@H]([NH3+])c1ccccc1 ZINC000581061676 336001975 /nfs/dbraw/zinc/00/19/75/336001975.db2.gz PZLSLCJBNUWAHX-AEGPPILISA-N 3 2 290.411 0.424 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000581082245 336006236 /nfs/dbraw/zinc/00/62/36/336006236.db2.gz QHNHXSSXQZCOKB-LLVKDONJSA-N 2 2 250.346 0.421 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000581082245 336006237 /nfs/dbraw/zinc/00/62/37/336006237.db2.gz QHNHXSSXQZCOKB-LLVKDONJSA-N 2 2 250.346 0.421 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](CO)c1ccccc1 ZINC000380608770 336007067 /nfs/dbraw/zinc/00/70/67/336007067.db2.gz GOZPFMSBVUHIPM-HUUCEWRRSA-N 2 2 282.384 0.249 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](CO)c1ccccc1 ZINC000380608770 336007068 /nfs/dbraw/zinc/00/70/68/336007068.db2.gz GOZPFMSBVUHIPM-HUUCEWRRSA-N 2 2 282.384 0.249 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC[C@@H]2CCCCO2)[C@@H](C[NH3+])C1 ZINC000581240648 336029527 /nfs/dbraw/zinc/02/95/27/336029527.db2.gz UKYXYZLKLLUROX-STQMWFEESA-N 2 2 284.404 0.230 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC[C@@H]2CCCCO2)[C@@H](C[NH3+])C1 ZINC000581240648 336029529 /nfs/dbraw/zinc/02/95/29/336029529.db2.gz UKYXYZLKLLUROX-STQMWFEESA-N 2 2 284.404 0.230 20 0 CCADLP CCC[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])OC ZINC000581598014 336109519 /nfs/dbraw/zinc/10/95/19/336109519.db2.gz XITRHQAXLHNCBZ-RYUDHWBXSA-N 2 2 272.393 0.086 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C2CC(F)(F)C2)C[C@H](C)O1 ZINC000581603217 336110114 /nfs/dbraw/zinc/11/01/14/336110114.db2.gz OURXYULUXWWSPR-JFGNBEQYSA-N 2 2 278.343 0.844 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)CCc1ccccn1 ZINC000383916551 336119216 /nfs/dbraw/zinc/11/92/16/336119216.db2.gz QWIIGLHLOOHUBH-HNNXBMFYSA-N 2 2 281.400 0.495 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)CCc1ccccn1 ZINC000383916551 336119217 /nfs/dbraw/zinc/11/92/17/336119217.db2.gz QWIIGLHLOOHUBH-HNNXBMFYSA-N 2 2 281.400 0.495 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)CCc1ccccn1 ZINC000383916551 336119218 /nfs/dbraw/zinc/11/92/18/336119218.db2.gz QWIIGLHLOOHUBH-HNNXBMFYSA-N 2 2 281.400 0.495 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)CCc1ccccn1 ZINC000383916551 336119219 /nfs/dbraw/zinc/11/92/19/336119219.db2.gz QWIIGLHLOOHUBH-HNNXBMFYSA-N 2 2 281.400 0.495 20 0 CCADLP CCN1CCN(C[C@@H](O)C[N@H+](C)CC)C[C@@H]1c1[nH]cc[nH+]1 ZINC000581674342 336126413 /nfs/dbraw/zinc/12/64/13/336126413.db2.gz AQNOZNSORRCCJC-UONOGXRCSA-N 2 2 295.431 0.401 20 0 CCADLP CCN1CCN(C[C@@H](O)C[N@@H+](C)CC)C[C@@H]1c1[nH]cc[nH+]1 ZINC000581674342 336126415 /nfs/dbraw/zinc/12/64/15/336126415.db2.gz AQNOZNSORRCCJC-UONOGXRCSA-N 2 2 295.431 0.401 20 0 CCADLP CCN1CCN(C[C@H](O)C[N@H+](C)CC)C[C@H]1c1[nH]cc[nH+]1 ZINC000581674341 336126489 /nfs/dbraw/zinc/12/64/89/336126489.db2.gz AQNOZNSORRCCJC-KGLIPLIRSA-N 2 2 295.431 0.401 20 0 CCADLP CCN1CCN(C[C@H](O)C[N@@H+](C)CC)C[C@H]1c1[nH]cc[nH+]1 ZINC000581674341 336126491 /nfs/dbraw/zinc/12/64/91/336126491.db2.gz AQNOZNSORRCCJC-KGLIPLIRSA-N 2 2 295.431 0.401 20 0 CCADLP O=C([C@H]1CC[NH2+]1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000384754897 336130412 /nfs/dbraw/zinc/13/04/12/336130412.db2.gz DNSLBKOSJOHPDM-CYBMUJFWSA-N 2 2 260.341 0.088 20 0 CCADLP C[N@H+](Cc1cc(=O)n2ccsc2n1)C1CC([NH3+])C1 ZINC000384752193 336130528 /nfs/dbraw/zinc/13/05/28/336130528.db2.gz ONPUVSOWYJJZOA-UHFFFAOYSA-N 2 2 264.354 0.678 20 0 CCADLP C[N@@H+](Cc1cc(=O)n2ccsc2n1)C1CC([NH3+])C1 ZINC000384752193 336130530 /nfs/dbraw/zinc/13/05/30/336130530.db2.gz ONPUVSOWYJJZOA-UHFFFAOYSA-N 2 2 264.354 0.678 20 0 CCADLP C[N@H+](CC(=O)NCc1ccccc1F)C1CC([NH3+])C1 ZINC000384895332 336133918 /nfs/dbraw/zinc/13/39/18/336133918.db2.gz VDAJXSXMXVSFRP-UHFFFAOYSA-N 2 2 265.332 0.863 20 0 CCADLP C[N@@H+](CC(=O)NCc1ccccc1F)C1CC([NH3+])C1 ZINC000384895332 336133919 /nfs/dbraw/zinc/13/39/19/336133919.db2.gz VDAJXSXMXVSFRP-UHFFFAOYSA-N 2 2 265.332 0.863 20 0 CCADLP [NH3+][C@H]1C[C@@H](C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)C1 ZINC000581728565 336138818 /nfs/dbraw/zinc/13/88/18/336138818.db2.gz NJUWNZXSIWRIDW-BETUJISGSA-N 2 2 290.367 0.272 20 0 CCADLP C[N@H+](CCn1nc2ccccn2c1=O)C1(C[NH3+])CCC1 ZINC000385209513 336142173 /nfs/dbraw/zinc/14/21/73/336142173.db2.gz PHOSZBMBDYVJBF-UHFFFAOYSA-N 2 2 275.356 0.309 20 0 CCADLP C[N@@H+](CCn1nc2ccccn2c1=O)C1(C[NH3+])CCC1 ZINC000385209513 336142174 /nfs/dbraw/zinc/14/21/74/336142174.db2.gz PHOSZBMBDYVJBF-UHFFFAOYSA-N 2 2 275.356 0.309 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000449140425 533796928 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CC(=O)NCCC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000348128907 534391496 /nfs/dbraw/zinc/39/14/96/534391496.db2.gz WJGVGWNOXUFHRK-UHFFFAOYSA-N 2 2 265.361 0.054 20 0 CCADLP O=C(NCC[C@H]1CCC[NH2+]1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000423584625 534426568 /nfs/dbraw/zinc/42/65/68/534426568.db2.gz OWDBECZQNCODQG-HUUCEWRRSA-N 2 2 295.427 0.746 20 0 CCADLP O=C(NCC[C@H]1CCC[NH2+]1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000423584625 534426579 /nfs/dbraw/zinc/42/65/79/534426579.db2.gz OWDBECZQNCODQG-HUUCEWRRSA-N 2 2 295.427 0.746 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000358214981 534443740 /nfs/dbraw/zinc/44/37/40/534443740.db2.gz GAHYEUUUTZPLAL-TZMCWYRMSA-N 2 2 297.424 0.505 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000358214981 534443749 /nfs/dbraw/zinc/44/37/49/534443749.db2.gz GAHYEUUUTZPLAL-TZMCWYRMSA-N 2 2 297.424 0.505 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@H]1CSC[NH2+]1)[NH+]1CCOCC1 ZINC000164309433 519815666 /nfs/dbraw/zinc/81/56/66/519815666.db2.gz 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C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000668330255 545173765 /nfs/dbraw/zinc/17/37/65/545173765.db2.gz OFWUHGLNKPKNDQ-GHMZBOCLSA-N 2 2 262.357 0.725 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)Nc2c[nH+]c3n2CCCC3)C1 ZINC000452332605 527731043 /nfs/dbraw/zinc/73/10/43/527731043.db2.gz HQNUDCGJGZNACR-LLVKDONJSA-N 2 2 278.356 0.879 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)Nc2c[nH+]c3n2CCCC3)C1 ZINC000452332605 527731045 /nfs/dbraw/zinc/73/10/45/527731045.db2.gz HQNUDCGJGZNACR-LLVKDONJSA-N 2 2 278.356 0.879 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000668668337 545186239 /nfs/dbraw/zinc/18/62/39/545186239.db2.gz VJJKBZHHWGCHFN-ZDUSSCGKSA-N 2 2 292.383 0.236 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428040238 527750667 /nfs/dbraw/zinc/75/06/67/527750667.db2.gz VJPBKZNTANJGIK-HUUCEWRRSA-N 2 2 297.443 0.849 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428040238 527750674 /nfs/dbraw/zinc/75/06/74/527750674.db2.gz VJPBKZNTANJGIK-HUUCEWRRSA-N 2 2 297.443 0.849 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000668690693 545187603 /nfs/dbraw/zinc/18/76/03/545187603.db2.gz ZGDBXKJZMVWUPJ-FICVDOATSA-N 2 2 295.427 0.363 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000668690693 545187604 /nfs/dbraw/zinc/18/76/04/545187604.db2.gz ZGDBXKJZMVWUPJ-FICVDOATSA-N 2 2 295.427 0.363 20 0 CCADLP CC[N@H+](C)CCNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000413077294 527802605 /nfs/dbraw/zinc/80/26/05/527802605.db2.gz AKVWIBUEDDMEPP-SNVBAGLBSA-N 2 2 253.350 0.055 20 0 CCADLP CC[N@@H+](C)CCNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000413077294 527802608 /nfs/dbraw/zinc/80/26/08/527802608.db2.gz AKVWIBUEDDMEPP-SNVBAGLBSA-N 2 2 253.350 0.055 20 0 CCADLP CC1(C)OCC[C@@H]1[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000453286006 527804211 /nfs/dbraw/zinc/80/42/11/527804211.db2.gz ILOLJLUBKYPWFL-STQMWFEESA-N 2 2 256.390 0.990 20 0 CCADLP CC1(C)OCC[C@@H]1[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000453286006 527804217 /nfs/dbraw/zinc/80/42/17/527804217.db2.gz ILOLJLUBKYPWFL-STQMWFEESA-N 2 2 256.390 0.990 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCc3nc(COC)nn3C2)C1 ZINC000358286977 527975714 /nfs/dbraw/zinc/97/57/14/527975714.db2.gz MIZPAQTYTNHPID-RWMBFGLXSA-N 2 2 293.415 0.669 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCc3nc(COC)nn3C2)C1 ZINC000358286977 527975718 /nfs/dbraw/zinc/97/57/18/527975718.db2.gz MIZPAQTYTNHPID-RWMBFGLXSA-N 2 2 293.415 0.669 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669323309 545205392 /nfs/dbraw/zinc/20/53/92/545205392.db2.gz LZBISCUJVBFAED-HZSPNIEDSA-N 2 2 296.415 0.101 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@H]2Cc3ccccc32)[C@H](C[NH3+])C1 ZINC000669404469 545207546 /nfs/dbraw/zinc/20/75/46/545207546.db2.gz WFHWSEQYQSRAAF-ZIAGYGMSSA-N 2 2 288.395 0.611 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@H]2Cc3ccccc32)[C@H](C[NH3+])C1 ZINC000669404469 545207547 /nfs/dbraw/zinc/20/75/47/545207547.db2.gz WFHWSEQYQSRAAF-ZIAGYGMSSA-N 2 2 288.395 0.611 20 0 CCADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ncnn2C)C1 ZINC000426439227 528148985 /nfs/dbraw/zinc/14/89/85/528148985.db2.gz WOGGAXUCFZABAN-ZDUSSCGKSA-N 2 2 281.404 0.748 20 0 CCADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ncnn2C)C1 ZINC000426439227 528148991 /nfs/dbraw/zinc/14/89/91/528148991.db2.gz WOGGAXUCFZABAN-ZDUSSCGKSA-N 2 2 281.404 0.748 20 0 CCADLP O=C(NC[C@H]1CCC[NH2+]1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000669542878 545213995 /nfs/dbraw/zinc/21/39/95/545213995.db2.gz PJZFWWYORAYQFM-CHWSQXEVSA-N 2 2 289.383 0.712 20 0 CCADLP [NH3+]C[C@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1CC1 ZINC000669542853 545214050 /nfs/dbraw/zinc/21/40/50/545214050.db2.gz NUYLKNHVIHXMHP-STQMWFEESA-N 2 2 289.383 0.697 20 0 CCADLP CCC(=O)CCC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000450350312 528287931 /nfs/dbraw/zinc/28/79/31/528287931.db2.gz QXIQYJSPOVYDES-UHFFFAOYSA-N 2 2 295.427 0.986 20 0 CCADLP COc1cccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1F ZINC000669684409 545218900 /nfs/dbraw/zinc/21/89/00/545218900.db2.gz RNZXPYOTEJBJRK-AWEZNQCLSA-N 2 2 268.332 0.991 20 0 CCADLP COc1cccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1F ZINC000669684409 545218901 /nfs/dbraw/zinc/21/89/01/545218901.db2.gz RNZXPYOTEJBJRK-AWEZNQCLSA-N 2 2 268.332 0.991 20 0 CCADLP CC[NH2+]CCNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000417528575 528322558 /nfs/dbraw/zinc/32/25/58/528322558.db2.gz WXCVWGWIMKDUKS-VXGBXAGGSA-N 2 2 272.393 0.004 20 0 CCADLP C[C@@H](NC(=O)C(C)(C)[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000669905851 545223005 /nfs/dbraw/zinc/22/30/05/545223005.db2.gz BOBCCEIXOUYNCQ-CYBMUJFWSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@@H](C)[NH2+]C1CC1)[NH+]1CCOCC1 ZINC000449075648 528458241 /nfs/dbraw/zinc/45/82/41/528458241.db2.gz NTYUPCSJBYKFMT-TZMCWYRMSA-N 2 2 283.416 0.600 20 0 CCADLP O=C1NCC[C@@H]1[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670985388 545241091 /nfs/dbraw/zinc/24/10/91/545241091.db2.gz BJAZYWVCFXEPDY-STQMWFEESA-N 2 2 267.373 0.062 20 0 CCADLP O=C1NCC[C@@H]1[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670985388 545241092 /nfs/dbraw/zinc/24/10/92/545241092.db2.gz BJAZYWVCFXEPDY-STQMWFEESA-N 2 2 267.373 0.062 20 0 CCADLP C[C@H](NC(=O)N1CC[NH+]2CCC1CC2)[C@H]1C[N@H+](C)CCO1 ZINC000671209460 545244009 /nfs/dbraw/zinc/24/40/09/545244009.db2.gz MGPQCVBJIWJOKD-GXTWGEPZSA-N 2 2 296.415 0.195 20 0 CCADLP C[C@H](NC(=O)N1CC[NH+]2CCC1CC2)[C@H]1C[N@@H+](C)CCO1 ZINC000671209460 545244010 /nfs/dbraw/zinc/24/40/10/545244010.db2.gz MGPQCVBJIWJOKD-GXTWGEPZSA-N 2 2 296.415 0.195 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000426779582 528832715 /nfs/dbraw/zinc/83/27/15/528832715.db2.gz JHKFNQOHJTVBSY-JSGCOSHPSA-N 2 2 295.431 0.868 20 0 CCADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000426779582 528832721 /nfs/dbraw/zinc/83/27/21/528832721.db2.gz JHKFNQOHJTVBSY-JSGCOSHPSA-N 2 2 295.431 0.868 20 0 CCADLP CCCC[C@H]([NH3+])C(=O)N1CC[N@H+](CCC(=O)OC)[C@H](C)C1 ZINC000423893654 528969292 /nfs/dbraw/zinc/96/92/92/528969292.db2.gz LNZUITLNNVUBOF-OLZOCXBDSA-N 2 2 299.415 0.600 20 0 CCADLP CCCC[C@H]([NH3+])C(=O)N1CC[N@@H+](CCC(=O)OC)[C@H](C)C1 ZINC000423893654 528969296 /nfs/dbraw/zinc/96/92/96/528969296.db2.gz LNZUITLNNVUBOF-OLZOCXBDSA-N 2 2 299.415 0.600 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+](C2CC2)C2COC2)CC1 ZINC000451119947 528978010 /nfs/dbraw/zinc/97/80/10/528978010.db2.gz IJBSMJVRRWDUTK-UHFFFAOYSA-N 2 2 281.400 0.450 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C2CC2)C2COC2)CC1 ZINC000451119947 528978015 /nfs/dbraw/zinc/97/80/15/528978015.db2.gz IJBSMJVRRWDUTK-UHFFFAOYSA-N 2 2 281.400 0.450 20 0 CCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[NH2+]C[C@](C)(F)C2)C1 ZINC000423691714 529045571 /nfs/dbraw/zinc/04/55/71/529045571.db2.gz PUOKAPVTNJSVPY-OCCSQVGLSA-N 2 2 287.379 0.256 20 0 CCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[NH2+]C[C@](C)(F)C2)C1 ZINC000423691714 529045580 /nfs/dbraw/zinc/04/55/80/529045580.db2.gz PUOKAPVTNJSVPY-OCCSQVGLSA-N 2 2 287.379 0.256 20 0 CCADLP Cn1cc[nH+]c1[C@@H](NC(=O)NCC[NH+]1CCC1)C1CC1 ZINC000673146635 545280442 /nfs/dbraw/zinc/28/04/42/545280442.db2.gz IOSZSEUMGRVLEX-LBPRGKRZSA-N 2 2 277.372 0.876 20 0 CCADLP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccn(C)n1 ZINC000358253953 529177279 /nfs/dbraw/zinc/17/72/79/529177279.db2.gz PHSLJXWJNCBTQN-YPMHNXCESA-N 2 2 252.362 0.527 20 0 CCADLP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccn(C)n1 ZINC000358253953 529177284 /nfs/dbraw/zinc/17/72/84/529177284.db2.gz PHSLJXWJNCBTQN-YPMHNXCESA-N 2 2 252.362 0.527 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC(Oc3cc[nH+]cc3)C2)C1 ZINC000673657494 545290267 /nfs/dbraw/zinc/29/02/67/545290267.db2.gz JFCNLZJWAJXZCB-AWEZNQCLSA-N 2 2 291.351 0.392 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC(Oc3cc[nH+]cc3)C2)C1 ZINC000673657494 545290268 /nfs/dbraw/zinc/29/02/68/545290268.db2.gz JFCNLZJWAJXZCB-AWEZNQCLSA-N 2 2 291.351 0.392 20 0 CCADLP CC[C@H](C[NH+]1CCN(c2[nH+]ccn2C)CC1)OC ZINC000412978977 529336107 /nfs/dbraw/zinc/33/61/07/529336107.db2.gz RNBGZLGOFREWCL-GFCCVEGCSA-N 2 2 252.362 0.967 20 0 CCADLP C[C@@H](C(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[NH+](C)C ZINC000674286657 545302293 /nfs/dbraw/zinc/30/22/93/545302293.db2.gz RISNUJWBCUDHPW-LBPRGKRZSA-N 2 2 292.383 0.485 20 0 CCADLP CCCCCNC(=O)[C@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000313754915 535068078 /nfs/dbraw/zinc/06/80/78/535068078.db2.gz GYCOQSLHIVUNBQ-GJZGRUSLSA-N 2 2 296.459 0.661 20 0 CCADLP C[C@@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1)[NH+](C)C ZINC000674244653 545301248 /nfs/dbraw/zinc/30/12/48/545301248.db2.gz JOPPPKQGAMIGIY-LBPRGKRZSA-N 2 2 291.399 0.722 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@]3(C)CCCO3)C2)CC1 ZINC000674799128 545313703 /nfs/dbraw/zinc/31/37/03/545313703.db2.gz AWIMVYNMHUMVNJ-XJKSGUPXSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@]3(C)CCCO3)C2)CC1 ZINC000674799128 545313704 /nfs/dbraw/zinc/31/37/04/545313704.db2.gz AWIMVYNMHUMVNJ-XJKSGUPXSA-N 2 2 295.427 0.840 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@@H+]1CCO[C@H](C)C1)[NH+](C)C ZINC000518926658 535134318 /nfs/dbraw/zinc/13/43/18/535134318.db2.gz IUHUJDZNESETDN-OLZOCXBDSA-N 2 2 271.405 0.410 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@H+]1CCO[C@H](C)C1)[NH+](C)C ZINC000518926658 535134326 /nfs/dbraw/zinc/13/43/26/535134326.db2.gz IUHUJDZNESETDN-OLZOCXBDSA-N 2 2 271.405 0.410 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000674880501 545317408 /nfs/dbraw/zinc/31/74/08/545317408.db2.gz KGPPQLQFOVYMAJ-YXMPFFBPSA-N 2 2 294.399 0.247 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000674880501 545317409 /nfs/dbraw/zinc/31/74/09/545317409.db2.gz KGPPQLQFOVYMAJ-YXMPFFBPSA-N 2 2 294.399 0.247 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(CC(N)=O)cc1 ZINC000674912517 545318479 /nfs/dbraw/zinc/31/84/79/545318479.db2.gz FXSQDNBLPVAZBH-RISCZKNCSA-N 2 2 261.369 0.754 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(CC(N)=O)cc1 ZINC000674912517 545318480 /nfs/dbraw/zinc/31/84/80/545318480.db2.gz FXSQDNBLPVAZBH-RISCZKNCSA-N 2 2 261.369 0.754 20 0 CCADLP CC[C@@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[NH+](C)C ZINC000359214201 535398012 /nfs/dbraw/zinc/39/80/12/535398012.db2.gz IGIFXSSGJXFVPV-HNNXBMFYSA-N 3 2 298.475 0.811 20 0 CCADLP CC[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[NH+](C)C ZINC000359214201 535398018 /nfs/dbraw/zinc/39/80/18/535398018.db2.gz IGIFXSSGJXFVPV-HNNXBMFYSA-N 3 2 298.475 0.811 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422967512 535509240 /nfs/dbraw/zinc/50/92/40/535509240.db2.gz CCNQJIURTAXWJW-GFCCVEGCSA-N 2 2 292.383 0.429 20 0 CCADLP C[C@H](NC(=O)CCn1cc[nH+]c1)[C@H]1C[N@H+](C)CCO1 ZINC000676286898 545339586 /nfs/dbraw/zinc/33/95/86/545339586.db2.gz JHAKOJWQKOEOFR-NWDGAFQWSA-N 2 2 266.345 0.109 20 0 CCADLP C[C@H](NC(=O)CCn1cc[nH+]c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676286898 545339587 /nfs/dbraw/zinc/33/95/87/545339587.db2.gz JHAKOJWQKOEOFR-NWDGAFQWSA-N 2 2 266.345 0.109 20 0 CCADLP C[C@H](NC(=O)c1ccc2[nH+]ccn2c1)[C@H]1C[N@H+](C)CCO1 ZINC000676287694 545339758 /nfs/dbraw/zinc/33/97/58/545339758.db2.gz WWFZWSINHXIZAA-WCQYABFASA-N 2 2 288.351 0.783 20 0 CCADLP C[C@H](NC(=O)c1ccc2[nH+]ccn2c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676287694 545339759 /nfs/dbraw/zinc/33/97/59/545339759.db2.gz WWFZWSINHXIZAA-WCQYABFASA-N 2 2 288.351 0.783 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC000676664105 545348029 /nfs/dbraw/zinc/34/80/29/545348029.db2.gz LELMJRNNVHFQKF-UHFFFAOYSA-N 3 2 284.448 0.328 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC000676664105 545348030 /nfs/dbraw/zinc/34/80/30/545348030.db2.gz LELMJRNNVHFQKF-UHFFFAOYSA-N 3 2 284.448 0.328 20 0 CCADLP CCN1CC[NH+](CCCCNC(=O)C[NH+](C)C)CC1 ZINC000362138160 535688749 /nfs/dbraw/zinc/68/87/49/535688749.db2.gz LHWRIDPTQAMXEP-UHFFFAOYSA-N 2 2 270.421 0.082 20 0 CCADLP CC[NH+]1CCN(CCCCNC(=O)C[NH+](C)C)CC1 ZINC000362138160 535688756 /nfs/dbraw/zinc/68/87/56/535688756.db2.gz LHWRIDPTQAMXEP-UHFFFAOYSA-N 2 2 270.421 0.082 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC2(C(N)=O)CCOCC2)C1 ZINC000343269912 535780829 /nfs/dbraw/zinc/78/08/29/535780829.db2.gz DHJBBPGPWZHKPE-NWDGAFQWSA-N 2 2 269.389 0.198 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC2(C(N)=O)CCOCC2)C1 ZINC000343269912 535780835 /nfs/dbraw/zinc/78/08/35/535780835.db2.gz DHJBBPGPWZHKPE-NWDGAFQWSA-N 2 2 269.389 0.198 20 0 CCADLP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccn(C)n1 ZINC000349452848 535804558 /nfs/dbraw/zinc/80/45/58/535804558.db2.gz NULRJSZEMDIOFJ-CHWSQXEVSA-N 2 2 266.389 0.918 20 0 CCADLP C[C@@H](C(=O)N1CC[C@H](c2[nH+]ccn2C)C1)[NH+](C)C ZINC000677362677 545364134 /nfs/dbraw/zinc/36/41/34/545364134.db2.gz CNTZGURVGNKKJZ-QWRGUYRKSA-N 2 2 250.346 0.686 20 0 CCADLP CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1)C(=O)OC ZINC000314283592 535850963 /nfs/dbraw/zinc/85/09/63/535850963.db2.gz NUNCEVPOBFTDIP-NJZAAPMLSA-N 2 2 299.415 0.361 20 0 CCADLP CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1)C(=O)OC ZINC000314283592 535850968 /nfs/dbraw/zinc/85/09/68/535850968.db2.gz NUNCEVPOBFTDIP-NJZAAPMLSA-N 2 2 299.415 0.361 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000361217532 535955038 /nfs/dbraw/zinc/95/50/38/535955038.db2.gz RYGJFEUXCJVQBU-MRXNPFEDSA-N 2 2 292.427 0.558 20 0 CCADLP C[NH+](C)C[C@H](O)CNC1CC[NH+](Cc2ccccn2)CC1 ZINC000361217532 535955041 /nfs/dbraw/zinc/95/50/41/535955041.db2.gz RYGJFEUXCJVQBU-MRXNPFEDSA-N 2 2 292.427 0.558 20 0 CCADLP C[NH+](C)Cc1ccc(CNC(=O)[C@H]2COCC[NH2+]2)cc1F ZINC000423852461 536009641 /nfs/dbraw/zinc/00/96/41/536009641.db2.gz VOSWMVLTZNKPPG-CQSZACIVSA-N 2 2 295.358 0.492 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(S(C)(=O)=O)CC1 ZINC000678077692 545383792 /nfs/dbraw/zinc/38/37/92/545383792.db2.gz BKLPTPGQCZNFPF-GFCCVEGCSA-N 2 2 274.430 0.980 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(S(C)(=O)=O)CC1 ZINC000678077692 545383793 /nfs/dbraw/zinc/38/37/93/545383793.db2.gz BKLPTPGQCZNFPF-GFCCVEGCSA-N 2 2 274.430 0.980 20 0 CCADLP C[C@H]1C[N@H+](Cc2cn[nH]c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000678286449 545388386 /nfs/dbraw/zinc/38/83/86/545388386.db2.gz XHSAURALBWPXFL-DZGCQCFKSA-N 2 2 277.416 0.868 20 0 CCADLP C[C@H]1C[N@@H+](Cc2cn[nH]c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000678286449 545388387 /nfs/dbraw/zinc/38/83/87/545388387.db2.gz XHSAURALBWPXFL-DZGCQCFKSA-N 2 2 277.416 0.868 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000678517229 545393668 /nfs/dbraw/zinc/39/36/68/545393668.db2.gz ORCMIXSSRKHXIY-AWEZNQCLSA-N 3 2 291.399 0.294 20 0 CCADLP CCn1cnnc1CC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000678586600 545395021 /nfs/dbraw/zinc/39/50/21/545395021.db2.gz BKGQMLJGDWQIHO-WCQYABFASA-N 2 2 263.389 0.913 20 0 CCADLP CCn1cnnc1CC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000678586600 545395022 /nfs/dbraw/zinc/39/50/22/545395022.db2.gz BKGQMLJGDWQIHO-WCQYABFASA-N 2 2 263.389 0.913 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3=COCCC3)C2)CC1 ZINC000369267277 536339887 /nfs/dbraw/zinc/33/98/87/536339887.db2.gz OSJUKVIWLRPAFY-CQSZACIVSA-N 2 2 293.411 0.965 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3=COCCC3)C2)CC1 ZINC000369267277 536339891 /nfs/dbraw/zinc/33/98/91/536339891.db2.gz OSJUKVIWLRPAFY-CQSZACIVSA-N 2 2 293.411 0.965 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CCC[NH2+]3)CC2)CC1 ZINC000261749149 536339893 /nfs/dbraw/zinc/33/98/93/536339893.db2.gz PYUDIBHDNOSMMF-OAHLLOKOSA-N 3 2 294.443 0.413 20 0 CCADLP CN1CCC[C@H]([NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC000679318713 545406823 /nfs/dbraw/zinc/40/68/23/545406823.db2.gz UWHSCVXLTZLGKB-GJZGRUSLSA-N 2 2 294.443 0.319 20 0 CCADLP CN1CCC[C@H]([NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC000679318713 545406824 /nfs/dbraw/zinc/40/68/24/545406824.db2.gz UWHSCVXLTZLGKB-GJZGRUSLSA-N 2 2 294.443 0.319 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1ccccc1 ZINC000679368136 545407852 /nfs/dbraw/zinc/40/78/52/545407852.db2.gz ITHAZMVXGXRNGE-UHFFFAOYSA-N 2 2 299.440 0.848 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1ccccc1 ZINC000679368136 545407853 /nfs/dbraw/zinc/40/78/53/545407853.db2.gz ITHAZMVXGXRNGE-UHFFFAOYSA-N 2 2 299.440 0.848 20 0 CCADLP C[C@H](CCn1cccn1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000679386466 545408547 /nfs/dbraw/zinc/40/85/47/545408547.db2.gz OHRXEFMHUAWQJG-CYBMUJFWSA-N 2 2 279.388 0.025 20 0 CCADLP CN(CCCC[NH+](C)C)C(=O)[C@H]1COCC[N@@H+]1C ZINC000679635187 545412825 /nfs/dbraw/zinc/41/28/25/545412825.db2.gz FWNGBHJBVQECJW-GFCCVEGCSA-N 2 2 257.378 0.117 20 0 CCADLP CN(CCCC[NH+](C)C)C(=O)[C@H]1COCC[N@H+]1C ZINC000679635187 545412826 /nfs/dbraw/zinc/41/28/26/545412826.db2.gz FWNGBHJBVQECJW-GFCCVEGCSA-N 2 2 257.378 0.117 20 0 CCADLP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(CC[NH+]2CCOCC2)C1 ZINC000348023069 536781816 /nfs/dbraw/zinc/78/18/16/536781816.db2.gz UXFIGUYNRPZJRG-JKSUJKDBSA-N 2 2 297.443 0.504 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1c[nH+]cn1C ZINC000357776068 536864167 /nfs/dbraw/zinc/86/41/67/536864167.db2.gz DTXVKQPQWGXEIB-LBPRGKRZSA-N 2 2 295.387 0.330 20 0 CCADLP COCC[N@H+]1CCC[C@H]1CNC(=O)NCc1c[nH+]cn1C ZINC000357776068 536864175 /nfs/dbraw/zinc/86/41/75/536864175.db2.gz DTXVKQPQWGXEIB-LBPRGKRZSA-N 2 2 295.387 0.330 20 0 CCADLP C[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)[C@H]1C[N@H+](C)CCO1 ZINC000680590263 545433088 /nfs/dbraw/zinc/43/30/88/545433088.db2.gz NZVRQVBKAYRTHD-BXUZGUMPSA-N 2 2 292.383 0.597 20 0 CCADLP C[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000680590263 545433089 /nfs/dbraw/zinc/43/30/89/545433089.db2.gz NZVRQVBKAYRTHD-BXUZGUMPSA-N 2 2 292.383 0.597 20 0 CCADLP Cn1ccnc1[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000681562290 545456254 /nfs/dbraw/zinc/45/62/54/545456254.db2.gz AZVUWPAQNJVTMT-AWEZNQCLSA-N 2 2 291.399 0.235 20 0 CCADLP O=C(NCC[NH+]1CCCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682443323 545479247 /nfs/dbraw/zinc/47/92/47/545479247.db2.gz FHPFARCZNKLOOM-GFCCVEGCSA-N 2 2 262.357 0.658 20 0 CCADLP CCN1OC[C@H]([N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)C1=O ZINC000682677792 545487303 /nfs/dbraw/zinc/48/73/03/545487303.db2.gz TUHCFURVUIERTK-UPJWGTAASA-N 2 2 278.356 0.928 20 0 CCADLP CCN1OC[C@H]([N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)C1=O ZINC000682677792 545487304 /nfs/dbraw/zinc/48/73/04/545487304.db2.gz TUHCFURVUIERTK-UPJWGTAASA-N 2 2 278.356 0.928 20 0 CCADLP C[N@H+]1C[C@H]2CN(c3nc(N4CCOCC4)cc[nH+]3)C[C@H]2C1 ZINC000683755878 545562329 /nfs/dbraw/zinc/56/23/29/545562329.db2.gz AVVFJQHTDJOQHU-BETUJISGSA-N 2 2 289.383 0.311 20 0 CCADLP C[N@@H+]1C[C@H]2CN(c3nc(N4CCOCC4)cc[nH+]3)C[C@H]2C1 ZINC000683755878 545562332 /nfs/dbraw/zinc/56/23/32/545562332.db2.gz AVVFJQHTDJOQHU-BETUJISGSA-N 2 2 289.383 0.311 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)CCCC[NH+](C)C)CCO1 ZINC000683880735 545575173 /nfs/dbraw/zinc/57/51/73/545575173.db2.gz JBCWGMLZSGUZNO-CQSZACIVSA-N 2 2 285.432 0.945 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)CCCC[NH+](C)C)CCO1 ZINC000683880735 545575176 /nfs/dbraw/zinc/57/51/76/545575176.db2.gz JBCWGMLZSGUZNO-CQSZACIVSA-N 2 2 285.432 0.945 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(Cc2cn(C)c[nH+]2)CC1 ZINC000683897962 545579109 /nfs/dbraw/zinc/57/91/09/545579109.db2.gz HROIZKQEVOLRFQ-ZDUSSCGKSA-N 2 2 252.362 0.309 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC000962145371 649892711 /nfs/dbraw/zinc/89/27/11/649892711.db2.gz DZXYNFKYUWZDMV-UUIJZJDISA-N 2 2 290.367 0.035 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC000962145371 649892713 /nfs/dbraw/zinc/89/27/13/649892713.db2.gz DZXYNFKYUWZDMV-UUIJZJDISA-N 2 2 290.367 0.035 20 0 CCADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC000776102557 581180330 /nfs/dbraw/zinc/18/03/30/581180330.db2.gz OXILPSUHVVENFL-QWRGUYRKSA-N 2 2 253.346 0.065 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC000776102557 581180331 /nfs/dbraw/zinc/18/03/31/581180331.db2.gz OXILPSUHVVENFL-QWRGUYRKSA-N 2 2 253.346 0.065 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000776102557 581180332 /nfs/dbraw/zinc/18/03/32/581180332.db2.gz OXILPSUHVVENFL-QWRGUYRKSA-N 2 2 253.346 0.065 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000776102557 581180333 /nfs/dbraw/zinc/18/03/33/581180333.db2.gz OXILPSUHVVENFL-QWRGUYRKSA-N 2 2 253.346 0.065 20 0 CCADLP CC[N@H+](CCNC(=O)NCC[NH+]1CCO[C@@H](C)C1)C1CC1 ZINC000726256757 581234863 /nfs/dbraw/zinc/23/48/63/581234863.db2.gz MUCWXNCLKZENHL-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@@H+](CCNC(=O)NCC[NH+]1CCO[C@@H](C)C1)C1CC1 ZINC000726256757 581234864 /nfs/dbraw/zinc/23/48/64/581234864.db2.gz MUCWXNCLKZENHL-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH+](CCNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)C1CC1 ZINC000726256757 581234866 /nfs/dbraw/zinc/23/48/66/581234866.db2.gz MUCWXNCLKZENHL-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH+](CCNC(=O)NCC[N@H+]1CCO[C@@H](C)C1)C1CC1 ZINC000726256757 581234868 /nfs/dbraw/zinc/23/48/68/581234868.db2.gz MUCWXNCLKZENHL-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP S=C(NCC[NH+]1CCOCC1)NCC[N@H+]1CC=CCC1 ZINC000795014572 581394830 /nfs/dbraw/zinc/39/48/30/581394830.db2.gz JHWFYTKPNMUCTH-UHFFFAOYSA-N 2 2 298.456 0.045 20 0 CCADLP S=C(NCC[NH+]1CCOCC1)NCC[N@@H+]1CC=CCC1 ZINC000795014572 581394831 /nfs/dbraw/zinc/39/48/31/581394831.db2.gz JHWFYTKPNMUCTH-UHFFFAOYSA-N 2 2 298.456 0.045 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH+]2CCCC2)C[C@@]2(CCCOC2)O1 ZINC000796611573 581446191 /nfs/dbraw/zinc/44/61/91/581446191.db2.gz KIUAWEVGWUJHNF-BZUAXINKSA-N 2 2 298.427 0.713 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+]2CCCC2)C[C@@]2(CCCOC2)O1 ZINC000796611573 581446194 /nfs/dbraw/zinc/44/61/94/581446194.db2.gz KIUAWEVGWUJHNF-BZUAXINKSA-N 2 2 298.427 0.713 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCc3n[nH]cc32)CC1 ZINC000796726433 581449031 /nfs/dbraw/zinc/44/90/31/581449031.db2.gz FERSTTHLOVSHFW-LBPRGKRZSA-N 2 2 277.372 0.151 20 0 CCADLP CO[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000787219842 581460727 /nfs/dbraw/zinc/46/07/27/581460727.db2.gz MCUGMTSRXBVAPS-CHWSQXEVSA-N 2 2 278.356 0.725 20 0 CCADLP CO[C@@H]1CC(=O)N(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000787219842 581460728 /nfs/dbraw/zinc/46/07/28/581460728.db2.gz MCUGMTSRXBVAPS-CHWSQXEVSA-N 2 2 278.356 0.725 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C2CC2)CC[N@@H+]1C ZINC000787390825 581469750 /nfs/dbraw/zinc/46/97/50/581469750.db2.gz NUIZRXLFIGHGKJ-DGCLKSJQSA-N 2 2 251.374 0.776 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C2CC2)CC[N@H+]1C ZINC000787390825 581469751 /nfs/dbraw/zinc/46/97/51/581469751.db2.gz NUIZRXLFIGHGKJ-DGCLKSJQSA-N 2 2 251.374 0.776 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC[NH+]1C ZINC000787390825 581469753 /nfs/dbraw/zinc/46/97/53/581469753.db2.gz NUIZRXLFIGHGKJ-DGCLKSJQSA-N 2 2 251.374 0.776 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CC[NH+]1C ZINC000787390825 581469755 /nfs/dbraw/zinc/46/97/55/581469755.db2.gz NUIZRXLFIGHGKJ-DGCLKSJQSA-N 2 2 251.374 0.776 20 0 CCADLP OC[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C[C@@H]1O ZINC000787997966 581484466 /nfs/dbraw/zinc/48/44/66/581484466.db2.gz VHBZXXWRXOOYPR-KGLIPLIRSA-N 2 2 288.351 0.442 20 0 CCADLP OC[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C[C@@H]1O ZINC000787997966 581484468 /nfs/dbraw/zinc/48/44/68/581484468.db2.gz VHBZXXWRXOOYPR-KGLIPLIRSA-N 2 2 288.351 0.442 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@H+](CN2CC3(CC2=O)CCOCC3)C1 ZINC000753100493 581527830 /nfs/dbraw/zinc/52/78/30/581527830.db2.gz LVBPWFQPJIULML-AWEZNQCLSA-N 2 2 295.427 0.857 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@@H+](CN2CC3(CC2=O)CCOCC3)C1 ZINC000753100493 581527831 /nfs/dbraw/zinc/52/78/31/581527831.db2.gz LVBPWFQPJIULML-AWEZNQCLSA-N 2 2 295.427 0.857 20 0 CCADLP C[N@@H+]1CC[C@@H]([NH2+]C2CCN(c3cnccn3)CC2)C1 ZINC000765772065 581535056 /nfs/dbraw/zinc/53/50/56/581535056.db2.gz VNTLETTZTQRGQY-CYBMUJFWSA-N 2 2 261.373 0.739 20 0 CCADLP C[N@H+]1CC[C@@H]([NH2+]C2CCN(c3cnccn3)CC2)C1 ZINC000765772065 581535059 /nfs/dbraw/zinc/53/50/59/581535059.db2.gz VNTLETTZTQRGQY-CYBMUJFWSA-N 2 2 261.373 0.739 20 0 CCADLP Cc1nonc1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000734146133 581544703 /nfs/dbraw/zinc/54/47/03/581544703.db2.gz DDCYWMWSGOFYCO-UHFFFAOYSA-N 2 2 295.387 0.268 20 0 CCADLP C[N@H+](CCn1cc[nH+]c1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000766241097 581558383 /nfs/dbraw/zinc/55/83/83/581558383.db2.gz AJLYDDZZZLIWSK-SNVBAGLBSA-N 2 2 290.289 0.978 20 0 CCADLP C[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000766241097 581558385 /nfs/dbraw/zinc/55/83/85/581558385.db2.gz AJLYDDZZZLIWSK-SNVBAGLBSA-N 2 2 290.289 0.978 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)CCO1 ZINC000729265877 581570097 /nfs/dbraw/zinc/57/00/97/581570097.db2.gz QWYYYVXFOQCRHK-KGLIPLIRSA-N 2 2 292.383 0.767 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)CCO1 ZINC000729265877 581570099 /nfs/dbraw/zinc/57/00/99/581570099.db2.gz QWYYYVXFOQCRHK-KGLIPLIRSA-N 2 2 292.383 0.767 20 0 CCADLP Cc1cc(N2CCC([NH3+])(CO)CC2)nc(C2CC2)[nH+]1 ZINC000734833222 581590609 /nfs/dbraw/zinc/59/06/09/581590609.db2.gz HLLCEWNZRQPSIY-UHFFFAOYSA-N 2 2 262.357 0.952 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000729681648 581610600 /nfs/dbraw/zinc/61/06/00/581610600.db2.gz GRWKYJQYBFBXII-ZDUSSCGKSA-N 2 2 283.397 0.852 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000729681648 581610603 /nfs/dbraw/zinc/61/06/03/581610603.db2.gz GRWKYJQYBFBXII-ZDUSSCGKSA-N 2 2 283.397 0.852 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1nccn1C ZINC000735925395 581674989 /nfs/dbraw/zinc/67/49/89/581674989.db2.gz GPLWMRPELKCABJ-UHFFFAOYSA-N 2 2 293.415 0.518 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1nccn1C ZINC000735925395 581674992 /nfs/dbraw/zinc/67/49/92/581674992.db2.gz GPLWMRPELKCABJ-UHFFFAOYSA-N 2 2 293.415 0.518 20 0 CCADLP Cn1cnn(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1=O ZINC000758355316 581740703 /nfs/dbraw/zinc/74/07/03/581740703.db2.gz DPCLAUQZJJNDDJ-CYBMUJFWSA-N 2 2 279.388 0.203 20 0 CCADLP Cn1cnn(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1=O ZINC000758355316 581740708 /nfs/dbraw/zinc/74/07/08/581740708.db2.gz DPCLAUQZJJNDDJ-CYBMUJFWSA-N 2 2 279.388 0.203 20 0 CCADLP OCC[N@H+](CCc1ccccc1)C[C@H](O)C[NH+]1CCCC1 ZINC000733029948 581859751 /nfs/dbraw/zinc/85/97/51/581859751.db2.gz MVQIHBJISXCDBG-QGZVFWFLSA-N 2 2 292.423 0.980 20 0 CCADLP OCC[N@@H+](CCc1ccccc1)C[C@H](O)C[NH+]1CCCC1 ZINC000733029948 581859753 /nfs/dbraw/zinc/85/97/53/581859753.db2.gz MVQIHBJISXCDBG-QGZVFWFLSA-N 2 2 292.423 0.980 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000417038946 581910230 /nfs/dbraw/zinc/91/02/30/581910230.db2.gz UXASOUGOSKNPBS-JHJVBQTASA-N 2 2 284.404 0.276 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CN1CCCC1=O ZINC000746655007 581921542 /nfs/dbraw/zinc/92/15/42/581921542.db2.gz ZJGYEDIWXMXUGZ-MCIONIFRSA-N 2 2 281.400 0.750 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CN1CCCC1=O ZINC000746655007 581921544 /nfs/dbraw/zinc/92/15/44/581921544.db2.gz ZJGYEDIWXMXUGZ-MCIONIFRSA-N 2 2 281.400 0.750 20 0 CCADLP COC(=O)c1cn(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)nn1 ZINC000738157674 582025667 /nfs/dbraw/zinc/02/56/67/582025667.db2.gz IJLLDBIGOMUZDX-NSHDSACASA-N 2 2 290.327 0.556 20 0 CCADLP COC(=O)c1cn(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)nn1 ZINC000738157674 582025670 /nfs/dbraw/zinc/02/56/70/582025670.db2.gz IJLLDBIGOMUZDX-NSHDSACASA-N 2 2 290.327 0.556 20 0 CCADLP OCC1([NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)CCOCC1 ZINC000750045823 582031585 /nfs/dbraw/zinc/03/15/85/582031585.db2.gz YCEGOXBGKYKKJG-UHFFFAOYSA-N 2 2 288.351 0.898 20 0 CCADLP C[C@@H]([NH3+])CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000877106223 617173689 /nfs/dbraw/zinc/17/36/89/617173689.db2.gz WFPFLEOORKBFRW-SNVBAGLBSA-N 2 2 250.346 0.568 20 0 CCADLP C[C@@H](O)C[NH2+]C1CC2(CC(NC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC000965282364 649930564 /nfs/dbraw/zinc/93/05/64/649930564.db2.gz WUSMMPMDHSBXCP-ZBFOYUMQSA-N 2 2 292.383 0.350 20 0 CCADLP CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000925772801 617183181 /nfs/dbraw/zinc/18/31/81/617183181.db2.gz URRORWXYZVROCM-BJDJZHNGSA-N 2 2 260.403 0.812 20 0 CCADLP CS(=O)(=O)c1ccc(C[NH2+]C2CC([NH3+])C2)s1 ZINC000906510456 617188381 /nfs/dbraw/zinc/18/83/81/617188381.db2.gz IWZSXVKYSRJEII-UHFFFAOYSA-N 2 2 260.384 0.731 20 0 CCADLP c1cc(-c2nn[nH]n2)oc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000826514775 608859659 /nfs/dbraw/zinc/85/96/59/608859659.db2.gz CHOXOHNUNMAGCC-DTORHVGOSA-N 2 2 260.301 0.111 20 0 CCADLP c1cc(-c2nn[nH]n2)oc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000826514775 608859660 /nfs/dbraw/zinc/85/96/60/608859660.db2.gz CHOXOHNUNMAGCC-DTORHVGOSA-N 2 2 260.301 0.111 20 0 CCADLP CS/C=C\C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855414522 617200949 /nfs/dbraw/zinc/20/09/49/617200949.db2.gz GAIWHLVZHUDOAM-WDZFZDKYSA-N 2 2 259.419 0.863 20 0 CCADLP CS/C=C\C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855414522 617200950 /nfs/dbraw/zinc/20/09/50/617200950.db2.gz GAIWHLVZHUDOAM-WDZFZDKYSA-N 2 2 259.419 0.863 20 0 CCADLP CC(C)(C)OC(=O)C[NH+]1CCC(NC(N)=[NH2+])CC1 ZINC000864358111 613966078 /nfs/dbraw/zinc/96/60/78/613966078.db2.gz JTDFWDAOFLDHIB-UHFFFAOYSA-N 2 2 256.350 0.276 20 0 CCADLP CC(C)OCC[C@H](O)C[N@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000923329869 614023813 /nfs/dbraw/zinc/02/38/13/614023813.db2.gz QRWMRHPHKCUGKQ-KGLIPLIRSA-N 2 2 256.390 0.989 20 0 CCADLP CC(C)OCC[C@H](O)C[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000923329869 614023814 /nfs/dbraw/zinc/02/38/14/614023814.db2.gz QRWMRHPHKCUGKQ-KGLIPLIRSA-N 2 2 256.390 0.989 20 0 CCADLP CC(C)(C[NH2+][C@@H]1CC[NH2+]C1(C)C)CS(C)(=O)=O ZINC000925830394 614114705 /nfs/dbraw/zinc/11/47/05/614114705.db2.gz CYZFXMZLTDVDPW-SNVBAGLBSA-N 2 2 262.419 0.787 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)CC(C)(C)C1 ZINC000879624610 614263852 /nfs/dbraw/zinc/26/38/52/614263852.db2.gz XUKDKWQZUNBINH-STQMWFEESA-N 2 2 258.406 0.780 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879624610 614263854 /nfs/dbraw/zinc/26/38/54/614263854.db2.gz XUKDKWQZUNBINH-STQMWFEESA-N 2 2 258.406 0.780 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879624610 614263855 /nfs/dbraw/zinc/26/38/55/614263855.db2.gz XUKDKWQZUNBINH-STQMWFEESA-N 2 2 258.406 0.780 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC2=C(CCC(=O)N2)C1 ZINC000852296116 614264064 /nfs/dbraw/zinc/26/40/64/614264064.db2.gz QVLWTTXSVPMXFP-ZDUSSCGKSA-N 2 2 281.400 0.557 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC2=C(CCC(=O)N2)C1 ZINC000852296116 614264068 /nfs/dbraw/zinc/26/40/68/614264068.db2.gz QVLWTTXSVPMXFP-ZDUSSCGKSA-N 2 2 281.400 0.557 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852296116 614264069 /nfs/dbraw/zinc/26/40/69/614264069.db2.gz QVLWTTXSVPMXFP-ZDUSSCGKSA-N 2 2 281.400 0.557 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852296116 614264073 /nfs/dbraw/zinc/26/40/73/614264073.db2.gz QVLWTTXSVPMXFP-ZDUSSCGKSA-N 2 2 281.400 0.557 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)CC(C)(C)C1 ZINC000879624608 614264089 /nfs/dbraw/zinc/26/40/89/614264089.db2.gz XUKDKWQZUNBINH-OLZOCXBDSA-N 2 2 258.406 0.780 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)CC(C)(C)C1 ZINC000879624608 614264090 /nfs/dbraw/zinc/26/40/90/614264090.db2.gz XUKDKWQZUNBINH-OLZOCXBDSA-N 2 2 258.406 0.780 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879624608 614264093 /nfs/dbraw/zinc/26/40/93/614264093.db2.gz XUKDKWQZUNBINH-OLZOCXBDSA-N 2 2 258.406 0.780 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879624608 614264096 /nfs/dbraw/zinc/26/40/96/614264096.db2.gz XUKDKWQZUNBINH-OLZOCXBDSA-N 2 2 258.406 0.780 20 0 CCADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000876746631 613209437 /nfs/dbraw/zinc/20/94/37/613209437.db2.gz MGJBGQDLNUALDC-JXABGOGHSA-N 2 2 281.400 0.235 20 0 CCADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000876746631 613209438 /nfs/dbraw/zinc/20/94/38/613209438.db2.gz MGJBGQDLNUALDC-JXABGOGHSA-N 2 2 281.400 0.235 20 0 CCADLP C1=C[C@@H](C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)[C@H]2CO[C@@H]1C2 ZINC000925829307 613220655 /nfs/dbraw/zinc/22/06/55/613220655.db2.gz BZTPKKHFFCHOLD-ZVDSWSACSA-N 2 2 278.396 0.934 20 0 CCADLP C(COC[C@H]1CCOC1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925567588 613222710 /nfs/dbraw/zinc/22/27/10/613222710.db2.gz PTSCGHYLINVLEP-STQMWFEESA-N 2 2 254.374 0.914 20 0 CCADLP C(C[C@H]1CCCO1)[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000925773769 613229411 /nfs/dbraw/zinc/22/94/11/613229411.db2.gz GMWOFXWUQYGPNN-MCIONIFRSA-N 2 2 254.374 0.912 20 0 CCADLP C1CC1[C@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@@H]1C[NH2+]CCO1 ZINC000902452827 613230498 /nfs/dbraw/zinc/23/04/98/613230498.db2.gz MIYLSDKTSMSUEJ-VMPUKSAESA-N 2 2 264.369 0.519 20 0 CCADLP C/C(=C/C(=O)NCC[C@@H](C)[NH+](C)C)C[NH+]1CCOCC1 ZINC000912387843 613236787 /nfs/dbraw/zinc/23/67/87/613236787.db2.gz CFJZUCILNROZKS-YBEMTRGBSA-N 2 2 283.416 0.721 20 0 CCADLP C/C(=C/C(=O)NC[C@H](C)C[NH+](C)C)C[NH+]1CCOCC1 ZINC000908345609 613237258 /nfs/dbraw/zinc/23/72/58/613237258.db2.gz JCTDLVXJQLLWCD-XXYUJHKVSA-N 2 2 283.416 0.579 20 0 CCADLP C/C(=C\C(=O)NC[C@H](C)[NH+](C)C)C[NH+]1CCOCC1 ZINC000900162854 613256729 /nfs/dbraw/zinc/25/67/29/613256729.db2.gz JQCLLZUKWYHABH-SRXBQZRASA-N 2 2 269.389 0.331 20 0 CCADLP C=C/C=C\CC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000879356320 613392214 /nfs/dbraw/zinc/39/22/14/613392214.db2.gz HVQATQBXQJVAOD-WAYWQWQTSA-N 2 2 251.374 0.825 20 0 CCADLP C=C/C=C\CC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000879356320 613392215 /nfs/dbraw/zinc/39/22/15/613392215.db2.gz HVQATQBXQJVAOD-WAYWQWQTSA-N 2 2 251.374 0.825 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000896963064 613929444 /nfs/dbraw/zinc/92/94/44/613929444.db2.gz CUGWQNOWTOOENN-UONOGXRCSA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000896963064 613929445 /nfs/dbraw/zinc/92/94/45/613929445.db2.gz CUGWQNOWTOOENN-UONOGXRCSA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000970768079 613971652 /nfs/dbraw/zinc/97/16/52/613971652.db2.gz VIBZDFMOLQBCAY-CABCVRRESA-N 2 2 295.427 0.696 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000949043801 614091791 /nfs/dbraw/zinc/09/17/91/614091791.db2.gz WIODCVUQMKQREH-HUUCEWRRSA-N 2 2 297.443 0.632 20 0 CCADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000949043801 614091792 /nfs/dbraw/zinc/09/17/92/614091792.db2.gz WIODCVUQMKQREH-HUUCEWRRSA-N 2 2 297.443 0.632 20 0 CCADLP CC(C)CNC(=O)C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000852745567 614135109 /nfs/dbraw/zinc/13/51/09/614135109.db2.gz VSRUZKXQGVYTKR-CQSZACIVSA-N 2 2 283.416 0.459 20 0 CCADLP CC(C)C[C@@H](C(=O)NCC[N@@H+](C)CCO)n1cc[nH+]c1 ZINC000899740017 614180629 /nfs/dbraw/zinc/18/06/29/614180629.db2.gz CCMXSOIBYBYBBV-ZDUSSCGKSA-N 2 2 282.388 0.511 20 0 CCADLP CC(C)C[C@@H](CNC(=O)/C=C\C[NH+]1CCOCC1)[NH+](C)C ZINC000865786669 614189163 /nfs/dbraw/zinc/18/91/63/614189163.db2.gz QXFYRCKEUYVFBP-YVACAVLKSA-N 2 2 297.443 0.967 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)CC(C)(C)C1 ZINC000879624610 614263851 /nfs/dbraw/zinc/26/38/51/614263851.db2.gz XUKDKWQZUNBINH-STQMWFEESA-N 2 2 258.406 0.780 20 0 CCADLP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000911833850 614287401 /nfs/dbraw/zinc/28/74/01/614287401.db2.gz SHERTBBPSVCWGX-RISCZKNCSA-N 2 2 264.373 0.935 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000821386524 614355250 /nfs/dbraw/zinc/35/52/50/614355250.db2.gz UBSZNDZCEDGKPV-AAEUAGOBSA-N 2 2 262.357 0.797 20 0 CCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000821386524 614355251 /nfs/dbraw/zinc/35/52/51/614355251.db2.gz UBSZNDZCEDGKPV-AAEUAGOBSA-N 2 2 262.357 0.797 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@@H+](C)C[C@H](C)[NH3+])CC1 ZINC000863569319 614361906 /nfs/dbraw/zinc/36/19/06/614361906.db2.gz UWJJSHIJBKOEHV-AWEZNQCLSA-N 3 2 256.438 0.682 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@H+](C)C[C@H](C)[NH3+])CC1 ZINC000863569319 614361907 /nfs/dbraw/zinc/36/19/07/614361907.db2.gz UWJJSHIJBKOEHV-AWEZNQCLSA-N 3 2 256.438 0.682 20 0 CCADLP CCC(CC)[C@@H](CNC(=[NH2+])NC)[NH+]1CCOCC1 ZINC000848983817 614576740 /nfs/dbraw/zinc/57/67/40/614576740.db2.gz DSYBKAZUROANOB-GFCCVEGCSA-N 2 2 256.394 0.867 20 0 CCADLP CCC[N@H+](C[C@H](O)Cn1cccn1)[C@H]1CC[NH2+]C1 ZINC000923285981 614585199 /nfs/dbraw/zinc/58/51/99/614585199.db2.gz KKZPKRLAMGKRNF-STQMWFEESA-N 2 2 252.362 0.318 20 0 CCADLP CCC[N@@H+](C[C@H](O)Cn1cccn1)[C@H]1CC[NH2+]C1 ZINC000923285981 614585200 /nfs/dbraw/zinc/58/52/00/614585200.db2.gz KKZPKRLAMGKRNF-STQMWFEESA-N 2 2 252.362 0.318 20 0 CCADLP CCN(C(=O)NCC[N@@H+]1CCOCC1(C)C)[C@H]1CC[NH2+]C1 ZINC000891505908 614599342 /nfs/dbraw/zinc/59/93/42/614599342.db2.gz BKADSHOLKRPKIU-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CCN(C(=O)NCC[N@H+]1CCOCC1(C)C)[C@H]1CC[NH2+]C1 ZINC000891505908 614599345 /nfs/dbraw/zinc/59/93/45/614599345.db2.gz BKADSHOLKRPKIU-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CCN(C(=O)N[C@@H](C)Cn1cc[nH+]c1)[C@@H]1CC[NH2+]C1 ZINC000887279120 614603289 /nfs/dbraw/zinc/60/32/89/614603289.db2.gz ZEJBARJBAQXMBT-NWDGAFQWSA-N 2 2 265.361 0.665 20 0 CCADLP CCN(C(=O)N[C@@H](C)C[NH+]1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000891349824 614603710 /nfs/dbraw/zinc/60/37/10/614603710.db2.gz KFOPOMNDFRVHBX-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](CCCO)C1 ZINC000950469950 614676457 /nfs/dbraw/zinc/67/64/57/614676457.db2.gz VGBZIUDANHNSNY-HNNXBMFYSA-N 2 2 297.443 0.776 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](CCCO)C1 ZINC000950469950 614676459 /nfs/dbraw/zinc/67/64/59/614676459.db2.gz VGBZIUDANHNSNY-HNNXBMFYSA-N 2 2 297.443 0.776 20 0 CCADLP CCC1([NH3+])CCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000891349582 614703315 /nfs/dbraw/zinc/70/33/15/614703315.db2.gz JBMUEFVXFLJJIX-ZDUSSCGKSA-N 2 2 298.431 0.620 20 0 CCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000925670409 614807130 /nfs/dbraw/zinc/80/71/30/614807130.db2.gz JTYPBLBPWSRPOH-RYUDHWBXSA-N 2 2 289.445 0.531 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000880223115 614851953 /nfs/dbraw/zinc/85/19/53/614851953.db2.gz SSKYJHUCRNNFDB-HRCADAONSA-N 2 2 278.396 0.939 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000880223115 614851955 /nfs/dbraw/zinc/85/19/55/614851955.db2.gz SSKYJHUCRNNFDB-HRCADAONSA-N 2 2 278.396 0.939 20 0 CCADLP CCCNC(=O)[C@H](C)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879591376 614871641 /nfs/dbraw/zinc/87/16/41/614871641.db2.gz NAGRCIBSDZDODI-AWEZNQCLSA-N 2 2 296.459 0.613 20 0 CCADLP CC1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)OCCO1 ZINC000848534998 614902807 /nfs/dbraw/zinc/90/28/07/614902807.db2.gz AEBYMQFPBFUEPR-AWEZNQCLSA-N 2 2 284.400 0.982 20 0 CCADLP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](C)C[C@@H]1CO ZINC000912744176 614904254 /nfs/dbraw/zinc/90/42/54/614904254.db2.gz PWXCFJWULNHGIY-CQSZACIVSA-N 2 2 285.432 0.633 20 0 CCADLP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](C)C[C@@H]1CO ZINC000912744176 614904256 /nfs/dbraw/zinc/90/42/56/614904256.db2.gz PWXCFJWULNHGIY-CQSZACIVSA-N 2 2 285.432 0.633 20 0 CCADLP CCCCCC[NH+](C)CC(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912744176 614904259 /nfs/dbraw/zinc/90/42/59/614904259.db2.gz PWXCFJWULNHGIY-CQSZACIVSA-N 2 2 285.432 0.633 20 0 CCADLP CCCCCC[NH+](C)CC(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912744176 614904262 /nfs/dbraw/zinc/90/42/62/614904262.db2.gz PWXCFJWULNHGIY-CQSZACIVSA-N 2 2 285.432 0.633 20 0 CCADLP CC[N@H+](CC[NH3+])C[C@H](O)COc1ccc(NC(C)=O)cc1 ZINC000923400951 615047098 /nfs/dbraw/zinc/04/70/98/615047098.db2.gz GLTTXTUSSVDAHZ-AWEZNQCLSA-N 2 2 295.383 0.665 20 0 CCADLP CC[N@@H+](CC[NH3+])C[C@H](O)COc1ccc(NC(C)=O)cc1 ZINC000923400951 615047099 /nfs/dbraw/zinc/04/70/99/615047099.db2.gz GLTTXTUSSVDAHZ-AWEZNQCLSA-N 2 2 295.383 0.665 20 0 CCADLP CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CCO1 ZINC000979448603 615109929 /nfs/dbraw/zinc/10/99/29/615109929.db2.gz QQLRCXPACDFLTG-AAEUAGOBSA-N 2 2 280.372 0.486 20 0 CCADLP CC[NH2+][C@H](C)[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CCO1 ZINC000979448610 615129858 /nfs/dbraw/zinc/12/98/58/615129858.db2.gz QQLRCXPACDFLTG-YPMHNXCESA-N 2 2 280.372 0.486 20 0 CCADLP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925549378 615162302 /nfs/dbraw/zinc/16/23/02/615162302.db2.gz XZBVGKOPQGYUOC-HUUCEWRRSA-N 3 2 280.460 0.887 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC([NH+]3CCCC3)C2)C1 ZINC000898609375 615168861 /nfs/dbraw/zinc/16/88/61/615168861.db2.gz VTPMOMOHJLIWDM-CYBMUJFWSA-N 2 2 267.373 0.014 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC([NH+]3CCCC3)C2)C1 ZINC000898609375 615168862 /nfs/dbraw/zinc/16/88/62/615168862.db2.gz VTPMOMOHJLIWDM-CYBMUJFWSA-N 2 2 267.373 0.014 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCC3CC3)CC2)C1 ZINC000957719992 615169423 /nfs/dbraw/zinc/16/94/23/615169423.db2.gz BIIZABBFRQQFRV-OAHLLOKOSA-N 2 2 295.427 0.651 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCC3CC3)CC2)C1 ZINC000957719992 615169425 /nfs/dbraw/zinc/16/94/25/615169425.db2.gz BIIZABBFRQQFRV-OAHLLOKOSA-N 2 2 295.427 0.651 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C)[C@@H](C(C)(C)C)C2)C1 ZINC000880612460 615180953 /nfs/dbraw/zinc/18/09/53/615180953.db2.gz IAXYWGCBGLLQCH-UONOGXRCSA-N 2 2 297.443 0.896 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C)[C@@H](C(C)(C)C)C2)C1 ZINC000880612460 615180954 /nfs/dbraw/zinc/18/09/54/615180954.db2.gz IAXYWGCBGLLQCH-UONOGXRCSA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)C1 ZINC000880612460 615180955 /nfs/dbraw/zinc/18/09/55/615180955.db2.gz IAXYWGCBGLLQCH-UONOGXRCSA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)C1 ZINC000880612460 615180957 /nfs/dbraw/zinc/18/09/57/615180957.db2.gz IAXYWGCBGLLQCH-UONOGXRCSA-N 2 2 297.443 0.896 20 0 CCADLP CCOC(C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1)OCC ZINC000878866019 615202671 /nfs/dbraw/zinc/20/26/71/615202671.db2.gz PVBJXWJKNFAFPG-CQSZACIVSA-N 2 2 274.405 0.774 20 0 CCADLP CCOC(C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1)OCC ZINC000878866019 615202676 /nfs/dbraw/zinc/20/26/76/615202676.db2.gz PVBJXWJKNFAFPG-CQSZACIVSA-N 2 2 274.405 0.774 20 0 CCADLP CCOC(=O)N1CC[C@H]([NH2+][C@H]2CC[NH2+]C2(C)C)C1 ZINC000925644209 615234428 /nfs/dbraw/zinc/23/44/28/615234428.db2.gz ZEYHKDFMEDWNNG-QWRGUYRKSA-N 2 2 255.362 0.947 20 0 CCADLP CCN(C(=O)[C@H](O)c1c[nH+]c[nH]1)[C@H]1CC[N@H+](CC)C1 ZINC000869249080 615273798 /nfs/dbraw/zinc/27/37/98/615273798.db2.gz YBDMWVNDBLQJLU-CMPLNLGQSA-N 2 2 266.345 0.386 20 0 CCADLP CCN(C(=O)[C@H](O)c1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CC)C1 ZINC000869249080 615273800 /nfs/dbraw/zinc/27/38/00/615273800.db2.gz YBDMWVNDBLQJLU-CMPLNLGQSA-N 2 2 266.345 0.386 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945809185 615282309 /nfs/dbraw/zinc/28/23/09/615282309.db2.gz RTUKWXJVCYLQKB-RYUDHWBXSA-N 2 2 250.346 0.730 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945809185 615282311 /nfs/dbraw/zinc/28/23/11/615282311.db2.gz RTUKWXJVCYLQKB-RYUDHWBXSA-N 2 2 250.346 0.730 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000890055739 615321984 /nfs/dbraw/zinc/32/19/84/615321984.db2.gz FSBHCHPJVFNHQI-QWRGUYRKSA-N 2 2 263.345 0.201 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000890055739 615321986 /nfs/dbraw/zinc/32/19/86/615321986.db2.gz FSBHCHPJVFNHQI-QWRGUYRKSA-N 2 2 263.345 0.201 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873234023 615327356 /nfs/dbraw/zinc/32/73/56/615327356.db2.gz BFVHMBRJYRUBMC-YNEHKIRRSA-N 2 2 283.416 0.648 20 0 CCADLP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2nonc2C)C1)[NH+](C)C ZINC000969988254 615374843 /nfs/dbraw/zinc/37/48/43/615374843.db2.gz BOGSHCUFXMKODL-YPMHNXCESA-N 2 2 295.387 0.409 20 0 CCADLP CCOC(=O)[C@](C)(O)C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517562 615392794 /nfs/dbraw/zinc/39/27/94/615392794.db2.gz BLOGGYAVRNKZTC-CQSZACIVSA-N 2 2 279.340 0.336 20 0 CCADLP CCOC(=O)[C@](C)(O)C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517562 615392796 /nfs/dbraw/zinc/39/27/96/615392796.db2.gz BLOGGYAVRNKZTC-CQSZACIVSA-N 2 2 279.340 0.336 20 0 CCADLP CCN1C[C@H](C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)OC1=O ZINC000846809835 615404446 /nfs/dbraw/zinc/40/44/46/615404446.db2.gz WNOHXHLKPIYIHP-RYUDHWBXSA-N 2 2 255.362 0.711 20 0 CCADLP CCN1C[C@H](C[N@H+]2CC[C@@H](C[NH+](C)C)C2)OC1=O ZINC000846809835 615404448 /nfs/dbraw/zinc/40/44/48/615404448.db2.gz WNOHXHLKPIYIHP-RYUDHWBXSA-N 2 2 255.362 0.711 20 0 CCADLP CCO[C@@H](CNc1cc(N(C)C)nc[nH+]1)C[NH+](C)C ZINC000896108814 615410809 /nfs/dbraw/zinc/41/08/09/615410809.db2.gz IHJXLITWHMEMNU-NSHDSACASA-N 2 2 267.377 0.921 20 0 CCADLP CCO[C@@H](CNc1cc(N(C)C)[nH+]cn1)C[NH+](C)C ZINC000896108814 615410810 /nfs/dbraw/zinc/41/08/10/615410810.db2.gz IHJXLITWHMEMNU-NSHDSACASA-N 2 2 267.377 0.921 20 0 CCADLP CC[C@@H]([NH2+]CCN1CCC([NH3+])CC1)[C@@H]1CCCC[NH2+]1 ZINC000925815889 615535645 /nfs/dbraw/zinc/53/56/45/615535645.db2.gz BPUXYPFWWMKMRB-CABCVRRESA-N 3 2 268.449 0.920 20 0 CCADLP CC[C@@H]1C(=O)NCCC[N@H+]1CCc1c[nH+]cn1C ZINC000933217086 615550097 /nfs/dbraw/zinc/55/00/97/615550097.db2.gz JBHOAWUEVVUKNO-GFCCVEGCSA-N 2 2 250.346 0.563 20 0 CCADLP CC[C@@H]1C(=O)NCCC[N@@H+]1CCc1c[nH+]cn1C ZINC000933217086 615550098 /nfs/dbraw/zinc/55/00/98/615550098.db2.gz JBHOAWUEVVUKNO-GFCCVEGCSA-N 2 2 250.346 0.563 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000877433783 615568365 /nfs/dbraw/zinc/56/83/65/615568365.db2.gz JBLNOZJHEIAUGE-MJBXVCDLSA-N 2 2 283.416 0.602 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000877433783 615568366 /nfs/dbraw/zinc/56/83/66/615568366.db2.gz JBLNOZJHEIAUGE-MJBXVCDLSA-N 2 2 283.416 0.602 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000877434528 615568398 /nfs/dbraw/zinc/56/83/98/615568398.db2.gz RUDSIGSZOIQOFW-MGPQQGTHSA-N 2 2 283.416 0.731 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000877434528 615568399 /nfs/dbraw/zinc/56/83/99/615568399.db2.gz RUDSIGSZOIQOFW-MGPQQGTHSA-N 2 2 283.416 0.731 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000877432728 615568677 /nfs/dbraw/zinc/56/86/77/615568677.db2.gz FZRMQYVEPPADAB-JHJVBQTASA-N 2 2 283.416 0.587 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000877432728 615568678 /nfs/dbraw/zinc/56/86/78/615568678.db2.gz FZRMQYVEPPADAB-JHJVBQTASA-N 2 2 283.416 0.587 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000877435155 615579591 /nfs/dbraw/zinc/57/95/91/615579591.db2.gz XYXAFSMQVKXTOT-MJBXVCDLSA-N 2 2 283.416 0.602 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000877435155 615579592 /nfs/dbraw/zinc/57/95/92/615579592.db2.gz XYXAFSMQVKXTOT-MJBXVCDLSA-N 2 2 283.416 0.602 20 0 CCADLP CCc1cc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)nn1C ZINC000926166522 615656091 /nfs/dbraw/zinc/65/60/91/615656091.db2.gz JGNFOXQUVVOVKO-UHFFFAOYSA-N 2 2 294.403 0.527 20 0 CCADLP CCn1ncc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)n1 ZINC000838900803 615708478 /nfs/dbraw/zinc/70/84/78/615708478.db2.gz TUYYMIJPVVRKHD-OAHLLOKOSA-N 2 2 294.447 0.660 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000914392193 615716789 /nfs/dbraw/zinc/71/67/89/615716789.db2.gz VMSMGSXDLBFJGU-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000914392193 615716792 /nfs/dbraw/zinc/71/67/92/615716792.db2.gz VMSMGSXDLBFJGU-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1)OC ZINC000962149356 615721767 /nfs/dbraw/zinc/72/17/67/615721767.db2.gz QVWSCDQUWZFGNF-FJJYHAOUSA-N 2 2 292.383 0.424 20 0 CCADLP CC[C@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1)OC ZINC000962149356 615721771 /nfs/dbraw/zinc/72/17/71/615721771.db2.gz QVWSCDQUWZFGNF-FJJYHAOUSA-N 2 2 292.383 0.424 20 0 CCADLP CCc1nn(C)cc1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000926082130 615797285 /nfs/dbraw/zinc/79/72/85/615797285.db2.gz CDLSQGZSEBFYFU-UHFFFAOYSA-N 2 2 294.403 0.527 20 0 CCADLP C[NH+](C)C1CC(NC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000908013234 615853465 /nfs/dbraw/zinc/85/34/65/615853465.db2.gz RVCAOSGXPIOPMG-ONEGZZNKSA-N 2 2 267.373 0.084 20 0 CCADLP C[NH+](C)CC1(C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)CC1 ZINC000913457785 615869471 /nfs/dbraw/zinc/86/94/71/615869471.db2.gz GCMRZSYXWICIPO-GFCCVEGCSA-N 2 2 277.372 0.224 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CC1(O)CCC1 ZINC000855417455 615878482 /nfs/dbraw/zinc/87/84/82/615878482.db2.gz HAPDRPRCWLQGMQ-UHFFFAOYSA-N 2 2 271.405 0.291 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CC1(O)CCC1 ZINC000855417455 615878485 /nfs/dbraw/zinc/87/84/85/615878485.db2.gz HAPDRPRCWLQGMQ-UHFFFAOYSA-N 2 2 271.405 0.291 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCC=CO1 ZINC000855415197 615879146 /nfs/dbraw/zinc/87/91/46/615879146.db2.gz UHLFCYCBTZGDHF-CYBMUJFWSA-N 2 2 269.389 0.679 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCC=CO1 ZINC000855415197 615879147 /nfs/dbraw/zinc/87/91/47/615879147.db2.gz UHLFCYCBTZGDHF-CYBMUJFWSA-N 2 2 269.389 0.679 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)O[C@@H]1CCOC1 ZINC000917237764 615879421 /nfs/dbraw/zinc/87/94/21/615879421.db2.gz UBJWNQKGVXBMSG-GFCCVEGCSA-N 2 2 273.377 0.385 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)O[C@@H]1CCOC1 ZINC000917237764 615879424 /nfs/dbraw/zinc/87/94/24/615879424.db2.gz UBJWNQKGVXBMSG-GFCCVEGCSA-N 2 2 273.377 0.385 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884401485 615879577 /nfs/dbraw/zinc/87/95/77/615879577.db2.gz REZNQSSDLAZCJR-ZDUSSCGKSA-N 3 2 270.421 0.114 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884401485 615879579 /nfs/dbraw/zinc/87/95/79/615879579.db2.gz REZNQSSDLAZCJR-ZDUSSCGKSA-N 3 2 270.421 0.114 20 0 CCADLP C[NH+](C)CCN(Cc1ccco1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000866491546 615896634 /nfs/dbraw/zinc/89/66/34/615896634.db2.gz UXOXZQCVGRXOJP-CYBMUJFWSA-N 2 2 292.339 0.627 20 0 CCADLP C[NH+](C)CCNc1c(-c2nn[nH]n2)c[nH+]c2ccccc21 ZINC000825870408 615900231 /nfs/dbraw/zinc/90/02/31/615900231.db2.gz KZCPXFBZKCEBNL-UHFFFAOYSA-N 2 2 283.339 0.810 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@@H]2CC3(CC3)C(=O)O2)C1 ZINC000878865545 615952559 /nfs/dbraw/zinc/95/25/59/615952559.db2.gz JTUNSRYFCZIGQO-SWLSCSKDSA-N 2 2 282.384 0.471 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@@H]2CC3(CC3)C(=O)O2)C1 ZINC000878865545 615952562 /nfs/dbraw/zinc/95/25/62/615952562.db2.gz JTUNSRYFCZIGQO-SWLSCSKDSA-N 2 2 282.384 0.471 20 0 CCADLP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C)cn1 ZINC000928555865 615953652 /nfs/dbraw/zinc/95/36/52/615953652.db2.gz NZNXLWFHAUIRPJ-CYBMUJFWSA-N 2 2 262.357 0.577 20 0 CCADLP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2C)cn1 ZINC000928555865 615953653 /nfs/dbraw/zinc/95/36/53/615953653.db2.gz NZNXLWFHAUIRPJ-CYBMUJFWSA-N 2 2 262.357 0.577 20 0 CCADLP CC[C@](O)(C[NH2+]C[C@H](O)C[NH+](C)C)C(F)(F)F ZINC000905342884 615968657 /nfs/dbraw/zinc/96/86/57/615968657.db2.gz COULSSIMVJIFDR-IUCAKERBSA-N 2 2 258.284 0.202 20 0 CCADLP C[NH+](C)[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC000912599657 615995264 /nfs/dbraw/zinc/99/52/64/615995264.db2.gz JPNIQHUSVWUGBS-NEPJUHHUSA-N 2 2 262.357 0.872 20 0 CCADLP C[NH+](C)[C@]1(C[NH2+]C[C@H](O)CC(C)(C)O)CCSC1 ZINC000872202247 615999364 /nfs/dbraw/zinc/99/93/64/615999364.db2.gz DRCXSTDCPISKJF-YPMHNXCESA-N 2 2 276.446 0.535 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H](O)CC3(O)CCCC3)C[C@H]21 ZINC000931276023 615998351 /nfs/dbraw/zinc/99/83/51/615998351.db2.gz DEKLVVFOZHINCA-IGQOVBAYSA-N 2 2 268.401 0.534 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)CC3(O)CCCC3)C[C@H]21 ZINC000931276023 615998356 /nfs/dbraw/zinc/99/83/56/615998356.db2.gz DEKLVVFOZHINCA-IGQOVBAYSA-N 2 2 268.401 0.534 20 0 CCADLP C[NH+](C)[C@]1(C[NH2+]C[C@@H](O)C2(O)CCCC2)CCSC1 ZINC000905147562 615999356 /nfs/dbraw/zinc/99/93/56/615999356.db2.gz KTBUUBUJAOJAPR-OLZOCXBDSA-N 2 2 288.457 0.679 20 0 CCADLP CN(C)c1cc(NC(=O)c2ncoc2C[NH3+])cc[nH+]1 ZINC000884229921 616010157 /nfs/dbraw/zinc/01/01/57/616010157.db2.gz DPDJXSOLRBLEEA-UHFFFAOYSA-N 2 2 261.285 0.847 20 0 CCADLP CN(C)c1cc[nH+]c(CNC(=O)NCCn2cc[nH+]c2)c1 ZINC000905137880 616026843 /nfs/dbraw/zinc/02/68/43/616026843.db2.gz UOXWGFOMOHESJR-UHFFFAOYSA-N 2 2 288.355 0.844 20 0 CCADLP CN(CC(F)(F)F)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000903565379 616052625 /nfs/dbraw/zinc/05/26/25/616052625.db2.gz INHCSPZLKMHUDT-UHFFFAOYSA-N 2 2 282.310 0.613 20 0 CCADLP C[N@H+](CCC[NH3+])CCS(=O)(=O)Nc1ccccc1 ZINC000903717864 616074312 /nfs/dbraw/zinc/07/43/12/616074312.db2.gz XLNQZTDTTOBOLV-UHFFFAOYSA-N 2 2 271.386 0.709 20 0 CCADLP C[N@@H+](CCC[NH3+])CCS(=O)(=O)Nc1ccccc1 ZINC000903717864 616074313 /nfs/dbraw/zinc/07/43/13/616074313.db2.gz XLNQZTDTTOBOLV-UHFFFAOYSA-N 2 2 271.386 0.709 20 0 CCADLP CN(CCC[NH+]1CCCC1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000868016497 616074484 /nfs/dbraw/zinc/07/44/84/616074484.db2.gz NUUVWDIUNHTXDS-LBPRGKRZSA-N 2 2 266.345 0.387 20 0 CCADLP CN(CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)CCOCCO ZINC000926858718 616097208 /nfs/dbraw/zinc/09/72/08/616097208.db2.gz PFYJWUYZWHNIOS-JKSUJKDBSA-N 2 2 299.459 0.534 20 0 CCADLP CN(CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)CCOCCO ZINC000926858718 616097209 /nfs/dbraw/zinc/09/72/09/616097209.db2.gz PFYJWUYZWHNIOS-JKSUJKDBSA-N 2 2 299.459 0.534 20 0 CCADLP C[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)CC(C)(C)[NH3+] ZINC000903768190 616133747 /nfs/dbraw/zinc/13/37/47/616133747.db2.gz LQAMALWGEOADNU-LBPRGKRZSA-N 3 2 255.406 0.814 20 0 CCADLP C[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)CC(C)(C)[NH3+] ZINC000903768190 616133749 /nfs/dbraw/zinc/13/37/49/616133749.db2.gz LQAMALWGEOADNU-LBPRGKRZSA-N 3 2 255.406 0.814 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3(F)CC3)C2)CC1 ZINC000843795215 616172391 /nfs/dbraw/zinc/17/23/91/616172391.db2.gz FNZWEYTVXHDEOQ-NSHDSACASA-N 2 2 269.364 0.773 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3(F)CC3)C2)CC1 ZINC000843795215 616172392 /nfs/dbraw/zinc/17/23/92/616172392.db2.gz FNZWEYTVXHDEOQ-NSHDSACASA-N 2 2 269.364 0.773 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCC[C@H]1CS(N)(=O)=O ZINC000931229043 616213280 /nfs/dbraw/zinc/21/32/80/616213280.db2.gz JEESATIGAPTFBI-STQMWFEESA-N 2 2 289.445 0.614 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC[C@H]1CS(N)(=O)=O ZINC000931229043 616213281 /nfs/dbraw/zinc/21/32/81/616213281.db2.gz JEESATIGAPTFBI-STQMWFEESA-N 2 2 289.445 0.614 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC[C@H]1CS(N)(=O)=O ZINC000931229043 616213282 /nfs/dbraw/zinc/21/32/82/616213282.db2.gz JEESATIGAPTFBI-STQMWFEESA-N 2 2 289.445 0.614 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC[C@H]1CS(N)(=O)=O ZINC000931229043 616213283 /nfs/dbraw/zinc/21/32/83/616213283.db2.gz JEESATIGAPTFBI-STQMWFEESA-N 2 2 289.445 0.614 20 0 CCADLP C[N@@H+]1CCC[C@](O)(CC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000907527380 616219100 /nfs/dbraw/zinc/21/91/00/616219100.db2.gz FISHOGSFYGQRFA-WFASDCNBSA-N 2 2 292.383 0.161 20 0 CCADLP C[N@H+]1CCC[C@](O)(CC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000907527380 616219101 /nfs/dbraw/zinc/21/91/01/616219101.db2.gz FISHOGSFYGQRFA-WFASDCNBSA-N 2 2 292.383 0.161 20 0 CCADLP C[N@H+](Cc1cn(CCN2CC[NH+](C)CC2)nn1)C(C)(C)C ZINC000905057111 616242527 /nfs/dbraw/zinc/24/25/27/616242527.db2.gz NYNIIVRSUZGSQQ-UHFFFAOYSA-N 2 2 294.447 0.756 20 0 CCADLP C[N@@H+](Cc1cn(CCN2CC[NH+](C)CC2)nn1)C(C)(C)C ZINC000905057111 616242528 /nfs/dbraw/zinc/24/25/28/616242528.db2.gz NYNIIVRSUZGSQQ-UHFFFAOYSA-N 2 2 294.447 0.756 20 0 CCADLP C[N@@H+]1CCN(Cc2cn(-c3ccccc3)nn2)[C@@H](C[NH3+])C1 ZINC000843120466 616245654 /nfs/dbraw/zinc/24/56/54/616245654.db2.gz LJKMOQIRZVFMPJ-HNNXBMFYSA-N 2 2 286.383 0.342 20 0 CCADLP C[N@H+]1CCN(Cc2cn(-c3ccccc3)nn2)[C@@H](C[NH3+])C1 ZINC000843120466 616245655 /nfs/dbraw/zinc/24/56/55/616245655.db2.gz LJKMOQIRZVFMPJ-HNNXBMFYSA-N 2 2 286.383 0.342 20 0 CCADLP C[N@@H+]1CCN(c2nc(N)[nH+]c(N)n2)C[C@@H]1C(C)(C)C ZINC000895101363 616247622 /nfs/dbraw/zinc/24/76/22/616247622.db2.gz JYIAGMNOOWWKNJ-MRVPVSSYSA-N 2 2 265.365 0.203 20 0 CCADLP C[N@H+]1CCN(c2nc(N)[nH+]c(N)n2)C[C@@H]1C(C)(C)C ZINC000895101363 616247623 /nfs/dbraw/zinc/24/76/23/616247623.db2.gz JYIAGMNOOWWKNJ-MRVPVSSYSA-N 2 2 265.365 0.203 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC3(C2)CCC[NH+](CCF)C3)C1 ZINC000981685851 616257540 /nfs/dbraw/zinc/25/75/40/616257540.db2.gz BXCFYIZRYMKYAJ-ZDUSSCGKSA-N 2 2 299.390 0.211 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CC3(C2)CCC[NH+](CCF)C3)C1 ZINC000981685851 616257541 /nfs/dbraw/zinc/25/75/41/616257541.db2.gz BXCFYIZRYMKYAJ-ZDUSSCGKSA-N 2 2 299.390 0.211 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CC3(C2)CCC[N@H+](CCF)C3)C1 ZINC000981685851 616257542 /nfs/dbraw/zinc/25/75/42/616257542.db2.gz BXCFYIZRYMKYAJ-ZDUSSCGKSA-N 2 2 299.390 0.211 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CC3(C2)CCC[N@@H+](CCF)C3)C1 ZINC000981685851 616257543 /nfs/dbraw/zinc/25/75/43/616257543.db2.gz BXCFYIZRYMKYAJ-ZDUSSCGKSA-N 2 2 299.390 0.211 20 0 CCADLP C[N@H+](Cc1ccon1)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000980392298 616264994 /nfs/dbraw/zinc/26/49/94/616264994.db2.gz WNOZIMDIMOYNFM-TZMCWYRMSA-N 2 2 292.383 0.659 20 0 CCADLP C[N@@H+](Cc1ccon1)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000980392298 616264995 /nfs/dbraw/zinc/26/49/95/616264995.db2.gz WNOZIMDIMOYNFM-TZMCWYRMSA-N 2 2 292.383 0.659 20 0 CCADLP C[NH+](Cc1ccon1)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000980392298 616264996 /nfs/dbraw/zinc/26/49/96/616264996.db2.gz WNOZIMDIMOYNFM-TZMCWYRMSA-N 2 2 292.383 0.659 20 0 CCADLP C[NH+](Cc1ccon1)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000980392298 616264997 /nfs/dbraw/zinc/26/49/97/616264997.db2.gz WNOZIMDIMOYNFM-TZMCWYRMSA-N 2 2 292.383 0.659 20 0 CCADLP C[NH+]1CCC[C@H]1c1cc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)[nH]n1 ZINC000895819668 616270493 /nfs/dbraw/zinc/27/04/93/616270493.db2.gz YTTOGQNTCGLUQS-FZMZJTMJSA-N 2 2 291.399 0.858 20 0 CCADLP C[NH+]1CCC[C@H]1c1cc(C(=O)NC[C@@H]2CC[N@H+](C)C2)[nH]n1 ZINC000895819668 616270494 /nfs/dbraw/zinc/27/04/94/616270494.db2.gz YTTOGQNTCGLUQS-FZMZJTMJSA-N 2 2 291.399 0.858 20 0 CCADLP C[NH+]1CC[C@@H](CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC000895819668 616270495 /nfs/dbraw/zinc/27/04/95/616270495.db2.gz YTTOGQNTCGLUQS-FZMZJTMJSA-N 2 2 291.399 0.858 20 0 CCADLP C[NH+]1CC[C@@H](CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC000895819668 616270496 /nfs/dbraw/zinc/27/04/96/616270496.db2.gz YTTOGQNTCGLUQS-FZMZJTMJSA-N 2 2 291.399 0.858 20 0 CCADLP CN1CC[C@@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)C1=O ZINC000903506892 616275789 /nfs/dbraw/zinc/27/57/89/616275789.db2.gz DZIKRLSQVJVTAC-QLFBSQMISA-N 2 2 292.427 0.118 20 0 CCADLP CN1CC[C@@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)C1=O ZINC000903506892 616275793 /nfs/dbraw/zinc/27/57/93/616275793.db2.gz DZIKRLSQVJVTAC-QLFBSQMISA-N 2 2 292.427 0.118 20 0 CCADLP C[N@@H+]1CC[C@@H]1CNC(=O)NCCCNc1cccc[nH+]1 ZINC000914153544 616293414 /nfs/dbraw/zinc/29/34/14/616293414.db2.gz DSZOUMJMSNGLPB-GFCCVEGCSA-N 2 2 277.372 0.887 20 0 CCADLP C[N@H+]1CC[C@@H]1CNC(=O)NCCCNc1cccc[nH+]1 ZINC000914153544 616293415 /nfs/dbraw/zinc/29/34/15/616293415.db2.gz DSZOUMJMSNGLPB-GFCCVEGCSA-N 2 2 277.372 0.887 20 0 CCADLP C[N@@H+]1CC[C@@H]1CNC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000916342422 616294519 /nfs/dbraw/zinc/29/45/19/616294519.db2.gz YBRWGPUJOSRPKL-GFCCVEGCSA-N 2 2 277.372 0.723 20 0 CCADLP C[N@H+]1CC[C@@H]1CNC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000916342422 616294522 /nfs/dbraw/zinc/29/45/22/616294522.db2.gz YBRWGPUJOSRPKL-GFCCVEGCSA-N 2 2 277.372 0.723 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC[C@@H]21 ZINC000827255982 616327259 /nfs/dbraw/zinc/32/72/59/616327259.db2.gz VGOJDCXHNHGCPK-IPYPFGDCSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)CC[C@@H]21 ZINC000827255982 616327261 /nfs/dbraw/zinc/32/72/61/616327261.db2.gz VGOJDCXHNHGCPK-IPYPFGDCSA-N 2 2 288.395 0.998 20 0 CCADLP COCC[N@@H+]1CCCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000981668481 616336305 /nfs/dbraw/zinc/33/63/05/616336305.db2.gz OXIHXHOULUXYGE-UHFFFAOYSA-N 2 2 294.399 0.533 20 0 CCADLP COCC[N@H+]1CCCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000981668481 616336308 /nfs/dbraw/zinc/33/63/08/616336308.db2.gz OXIHXHOULUXYGE-UHFFFAOYSA-N 2 2 294.399 0.533 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900684886 616365845 /nfs/dbraw/zinc/36/58/45/616365845.db2.gz XIDVOMDMOYJVCA-HUUCEWRRSA-N 2 2 295.427 0.794 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900684886 616365851 /nfs/dbraw/zinc/36/58/51/616365851.db2.gz XIDVOMDMOYJVCA-HUUCEWRRSA-N 2 2 295.427 0.794 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000894912205 616379196 /nfs/dbraw/zinc/37/91/96/616379196.db2.gz AOBMCAGVLPXYAK-RISCZKNCSA-N 2 2 277.372 0.513 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000894912205 616379199 /nfs/dbraw/zinc/37/91/99/616379199.db2.gz AOBMCAGVLPXYAK-RISCZKNCSA-N 2 2 277.372 0.513 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC000947981309 616390899 /nfs/dbraw/zinc/39/08/99/616390899.db2.gz VFMSJSFVZLJPOY-WCQYABFASA-N 2 2 294.399 0.876 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC000947981309 616390904 /nfs/dbraw/zinc/39/09/04/616390904.db2.gz VFMSJSFVZLJPOY-WCQYABFASA-N 2 2 294.399 0.876 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@H](C)O1 ZINC000903768709 616393617 /nfs/dbraw/zinc/39/36/17/616393617.db2.gz PVQHWHOSWLPZIA-PWNZVWSESA-N 2 2 298.383 0.017 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@H](C)O1 ZINC000903768709 616393621 /nfs/dbraw/zinc/39/36/21/616393621.db2.gz PVQHWHOSWLPZIA-PWNZVWSESA-N 2 2 298.383 0.017 20 0 CCADLP COC(=O)C12CC(C1)C[N@@H+]2C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903765937 616401804 /nfs/dbraw/zinc/40/18/04/616401804.db2.gz NJDAIHXTYVPMDS-UYJPIKCFSA-N 2 2 294.395 0.783 20 0 CCADLP COC(=O)C12CC(C1)C[N@H+]2C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903765937 616401805 /nfs/dbraw/zinc/40/18/05/616401805.db2.gz NJDAIHXTYVPMDS-UYJPIKCFSA-N 2 2 294.395 0.783 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000868694075 616438794 /nfs/dbraw/zinc/43/87/94/616438794.db2.gz UWLCEDJJIZWHOI-GXTWGEPZSA-N 2 2 291.399 0.698 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000868694075 616438797 /nfs/dbraw/zinc/43/87/97/616438797.db2.gz UWLCEDJJIZWHOI-GXTWGEPZSA-N 2 2 291.399 0.698 20 0 CCADLP COC1(OC)CC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000926719956 616484409 /nfs/dbraw/zinc/48/44/09/616484409.db2.gz ZNTGRTIARGMGFK-ZIAGYGMSSA-N 2 2 284.400 0.981 20 0 CCADLP COC(=O)[C@@H]1[C@H](C[NH2+][C@H](C)Cn2cc[nH+]c2)C1(F)F ZINC000894173175 616516710 /nfs/dbraw/zinc/51/67/10/616516710.db2.gz HQJBXQVLJXVZCZ-UTLUCORTSA-N 2 2 273.283 0.916 20 0 CCADLP COC(=O)[C@H]1[C@@H]2C[N@@H+](CCCc3c[nH+]cn3C)C[C@@H]21 ZINC000846919638 616525569 /nfs/dbraw/zinc/52/55/69/616525569.db2.gz QRGDQDKPCLQUGU-ITGUQSILSA-N 2 2 263.341 0.704 20 0 CCADLP COC(=O)[C@H]1[C@@H]2C[N@H+](CCCc3c[nH+]cn3C)C[C@@H]21 ZINC000846919638 616525572 /nfs/dbraw/zinc/52/55/72/616525572.db2.gz QRGDQDKPCLQUGU-ITGUQSILSA-N 2 2 263.341 0.704 20 0 CCADLP COCCOC[C@H]1CC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903898220 616568860 /nfs/dbraw/zinc/56/88/60/616568860.db2.gz MMFFBHFKHGNIGQ-QWRGUYRKSA-N 2 2 266.332 0.954 20 0 CCADLP COCCOC[C@H]1CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903898220 616568863 /nfs/dbraw/zinc/56/88/63/616568863.db2.gz MMFFBHFKHGNIGQ-QWRGUYRKSA-N 2 2 266.332 0.954 20 0 CCADLP COCCS(=O)(=O)CCC[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000843362490 616605838 /nfs/dbraw/zinc/60/58/38/616605838.db2.gz JNBLRFFTWBSOEU-VXGBXAGGSA-N 2 2 278.418 0.107 20 0 CCADLP COCCS(=O)(=O)CCC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000843362490 616605841 /nfs/dbraw/zinc/60/58/41/616605841.db2.gz JNBLRFFTWBSOEU-VXGBXAGGSA-N 2 2 278.418 0.107 20 0 CCADLP COCCS(=O)(=O)CCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000842475989 616607071 /nfs/dbraw/zinc/60/70/71/616607071.db2.gz CSSXDRFCBSRJSO-FRRDWIJNSA-N 2 2 292.445 0.414 20 0 CCADLP COC[C@H](CCO)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925113847 616650513 /nfs/dbraw/zinc/65/05/13/616650513.db2.gz XZWIOZNAAIPHPM-BFHYXJOUSA-N 2 2 256.390 0.990 20 0 CCADLP COC[C@H](CCO)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925113847 616650514 /nfs/dbraw/zinc/65/05/14/616650514.db2.gz XZWIOZNAAIPHPM-BFHYXJOUSA-N 2 2 256.390 0.990 20 0 CCADLP COC[C@H]([NH2+][C@H](C)C[C@H]1COCC[NH2+]1)[C@H]1CCCOC1 ZINC000925778261 616727371 /nfs/dbraw/zinc/72/73/71/616727371.db2.gz JMISPGOIVAOSNG-QPSCCSFWSA-N 2 2 286.416 0.785 20 0 CCADLP COC[C@@H](C)[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880253004 616795344 /nfs/dbraw/zinc/79/53/44/616795344.db2.gz UFEHTBJGKRZZJP-CYBMUJFWSA-N 2 2 283.416 0.827 20 0 CCADLP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cnnn1C ZINC000924654631 616956795 /nfs/dbraw/zinc/95/67/95/616956795.db2.gz DRMXHPPPDIWCET-LLVKDONJSA-N 2 2 255.366 0.434 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cnnn1C ZINC000924654631 616956798 /nfs/dbraw/zinc/95/67/98/616956798.db2.gz DRMXHPPPDIWCET-LLVKDONJSA-N 2 2 255.366 0.434 20 0 CCADLP C[NH2+]CCNC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000841154970 616961398 /nfs/dbraw/zinc/96/13/98/616961398.db2.gz OWUWVZMWAQPYBZ-UHFFFAOYSA-N 2 2 251.334 0.797 20 0 CCADLP C[NH2+]CCOCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000884435507 616965813 /nfs/dbraw/zinc/96/58/13/616965813.db2.gz ZWXYVPDTEOXZFX-UHFFFAOYSA-N 2 2 268.361 0.279 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2ccccn2)C1 ZINC000846889059 616966217 /nfs/dbraw/zinc/96/62/17/616966217.db2.gz MJJNLYBGLIMLGX-HUUCEWRRSA-N 2 2 293.411 0.810 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2ccccn2)C1 ZINC000846889059 616966222 /nfs/dbraw/zinc/96/62/22/616966222.db2.gz MJJNLYBGLIMLGX-HUUCEWRRSA-N 2 2 293.411 0.810 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000846889059 616966225 /nfs/dbraw/zinc/96/62/25/616966225.db2.gz MJJNLYBGLIMLGX-HUUCEWRRSA-N 2 2 293.411 0.810 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000846889059 616966230 /nfs/dbraw/zinc/96/62/30/616966230.db2.gz MJJNLYBGLIMLGX-HUUCEWRRSA-N 2 2 293.411 0.810 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](CCS(=O)(=O)Nc2ccccc2)C1 ZINC000903716388 616986018 /nfs/dbraw/zinc/98/60/18/616986018.db2.gz LVPDUNNMBBKQPV-ZDUSSCGKSA-N 2 2 297.424 0.970 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](CCS(=O)(=O)Nc2ccccc2)C1 ZINC000903716388 616986022 /nfs/dbraw/zinc/98/60/22/616986022.db2.gz LVPDUNNMBBKQPV-ZDUSSCGKSA-N 2 2 297.424 0.970 20 0 CCADLP CON(C)C(=O)CC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000852007761 617006741 /nfs/dbraw/zinc/00/67/41/617006741.db2.gz AQXQCNKVPXZLNY-AWEZNQCLSA-N 2 2 299.415 0.583 20 0 CCADLP CON(C)C(=O)CC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000852007761 617006747 /nfs/dbraw/zinc/00/67/47/617006747.db2.gz AQXQCNKVPXZLNY-AWEZNQCLSA-N 2 2 299.415 0.583 20 0 CCADLP CNS(=O)(=O)CC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134686 617017784 /nfs/dbraw/zinc/01/77/84/617017784.db2.gz OFJODZKJODXSQH-LBPRGKRZSA-N 2 2 298.412 0.141 20 0 CCADLP CNS(=O)(=O)CC[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134686 617017791 /nfs/dbraw/zinc/01/77/91/617017791.db2.gz OFJODZKJODXSQH-LBPRGKRZSA-N 2 2 298.412 0.141 20 0 CCADLP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000884405196 617043800 /nfs/dbraw/zinc/04/38/00/617043800.db2.gz KBXUBBZDUUQEJS-KBPBESRZSA-N 2 2 283.416 0.554 20 0 CCADLP C[NH2+][C@@H](CC(C)C)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000884401573 617045326 /nfs/dbraw/zinc/04/53/26/617045326.db2.gz USHWMCULRRLLNK-MCIONIFRSA-N 2 2 285.432 0.846 20 0 CCADLP C[NH2+][C@@H](CC(C)C)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000884401573 617045327 /nfs/dbraw/zinc/04/53/27/617045327.db2.gz USHWMCULRRLLNK-MCIONIFRSA-N 2 2 285.432 0.846 20 0 CCADLP C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000884213327 617045990 /nfs/dbraw/zinc/04/59/90/617045990.db2.gz YNQGUHXOQRULLB-MJBXVCDLSA-N 2 2 285.432 0.846 20 0 CCADLP CON1CC[C@@H]([N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000929990397 617093373 /nfs/dbraw/zinc/09/33/73/617093373.db2.gz AGYUKFXDTZYDIR-GHMZBOCLSA-N 2 2 264.329 0.751 20 0 CCADLP CON1CC[C@@H]([N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000929990397 617093375 /nfs/dbraw/zinc/09/33/75/617093375.db2.gz AGYUKFXDTZYDIR-GHMZBOCLSA-N 2 2 264.329 0.751 20 0 CCADLP CON1CC[C@@H]([N@@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)C1=O ZINC000931764994 617093652 /nfs/dbraw/zinc/09/36/52/617093652.db2.gz USNBRUSGHQAYHD-TZMCWYRMSA-N 2 2 290.367 0.754 20 0 CCADLP CON1CC[C@@H]([N@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)C1=O ZINC000931764994 617093654 /nfs/dbraw/zinc/09/36/54/617093654.db2.gz USNBRUSGHQAYHD-TZMCWYRMSA-N 2 2 290.367 0.754 20 0 CCADLP COc1c(C)c[nH+]c(CNC(=O)C[C@H](C[NH3+])OC)c1C ZINC000827976416 617145321 /nfs/dbraw/zinc/14/53/21/617145321.db2.gz QPMSJHCEKUKAHL-LLVKDONJSA-N 2 2 281.356 0.687 20 0 CCADLP COc1c(C)c[nH+]c(CNC(=O)N[C@@H]2CC[NH2+]C2)c1C ZINC000841764197 617145795 /nfs/dbraw/zinc/14/57/95/617145795.db2.gz FIEWHGPLOUVZIE-LLVKDONJSA-N 2 2 278.356 0.868 20 0 CCADLP COc1c(C)c[nH+]c(CNC(=O)[C@@]2(C)C[NH2+]CCO2)c1C ZINC000876740923 617145860 /nfs/dbraw/zinc/14/58/60/617145860.db2.gz OLESJEBWSLRKCD-OAHLLOKOSA-N 2 2 293.367 0.702 20 0 CCADLP COc1c(C)c[nH+]c(CNC(=O)NCCC[NH3+])c1C ZINC000841763769 617145915 /nfs/dbraw/zinc/14/59/15/617145915.db2.gz AVAMKZIPXMLDDA-UHFFFAOYSA-N 2 2 266.345 0.855 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(c2nccn3c[nH+]cc23)[C@H](C)C1 ZINC000893258185 625404700 /nfs/dbraw/zinc/40/47/00/625404700.db2.gz FHUCQWSEDMBBFL-VXGBXAGGSA-N 2 2 275.356 0.621 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(c2nccn3c[nH+]cc23)[C@H](C)C1 ZINC000893258185 625404701 /nfs/dbraw/zinc/40/47/01/625404701.db2.gz FHUCQWSEDMBBFL-VXGBXAGGSA-N 2 2 275.356 0.621 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CC[C@H]([NH2+]CCF)[C@@H]2C1 ZINC001026400008 625431669 /nfs/dbraw/zinc/43/16/69/625431669.db2.gz BVGGAAFUNAZVCT-YUTCNCBUSA-N 2 2 294.374 0.759 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC1CCC([NH2+]CCF)CC1 ZINC001026568678 625474664 /nfs/dbraw/zinc/47/46/64/625474664.db2.gz RNQFUTDRPOCHDS-UHFFFAOYSA-N 2 2 268.336 0.939 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC1CCC([NH2+]CCF)CC1 ZINC001026583600 625476380 /nfs/dbraw/zinc/47/63/80/625476380.db2.gz AFJYPTZQXPZIIU-UHFFFAOYSA-N 2 2 268.336 0.939 20 0 CCADLP C[C@H]([NH3+])[C@H]([NH2+]CCCn1cc(CO)nn1)c1ccccc1 ZINC000925667291 625488252 /nfs/dbraw/zinc/48/82/52/625488252.db2.gz BJVCVBNLDCMNTF-WFASDCNBSA-N 2 2 289.383 0.839 20 0 CCADLP C[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000972040252 622600464 /nfs/dbraw/zinc/60/04/64/622600464.db2.gz OBXMFWPKRASKSI-STQMWFEESA-N 2 2 280.372 0.187 20 0 CCADLP C[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000972040252 622600470 /nfs/dbraw/zinc/60/04/70/622600470.db2.gz OBXMFWPKRASKSI-STQMWFEESA-N 2 2 280.372 0.187 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000892168788 622635130 /nfs/dbraw/zinc/63/51/30/622635130.db2.gz GVIMLUACFPEYRT-NXEZZACHSA-N 2 2 251.334 0.347 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC001022776219 622743491 /nfs/dbraw/zinc/74/34/91/622743491.db2.gz XLHIPPFSDOLCGG-MBNYWOFBSA-N 2 2 292.383 0.758 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+]CC2CCOCC2)C1 ZINC001022775570 622744466 /nfs/dbraw/zinc/74/44/66/622744466.db2.gz XZWPEHNSJYHTMT-BETUJISGSA-N 2 2 292.383 0.616 20 0 CCADLP Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)on1 ZINC001022889773 622836822 /nfs/dbraw/zinc/83/68/22/622836822.db2.gz ZTRDDVNDXVTYAZ-PHIMTYICSA-N 2 2 289.339 0.686 20 0 CCADLP COCC[C@H]([NH3+])C(=O)Nc1cccnc1-n1cc[nH+]c1C ZINC000052808077 623485067 /nfs/dbraw/zinc/48/50/67/623485067.db2.gz QSHWNMYHFFQPQQ-NSHDSACASA-N 2 2 289.339 0.878 20 0 CCADLP Cc1noc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001020025452 623969849 /nfs/dbraw/zinc/96/98/49/623969849.db2.gz PVYJTAUAWJCSIW-SRVKXCTJSA-N 2 2 293.371 0.209 20 0 CCADLP Cc1noc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC001020025452 623969857 /nfs/dbraw/zinc/96/98/57/623969857.db2.gz PVYJTAUAWJCSIW-SRVKXCTJSA-N 2 2 293.371 0.209 20 0 CCADLP COc1nn(C)cc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000902455153 634388931 /nfs/dbraw/zinc/38/89/31/634388931.db2.gz JQVNNBUJNHOVBX-HZSPNIEDSA-N 2 2 294.399 0.675 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001020819215 624606708 /nfs/dbraw/zinc/60/67/08/624606708.db2.gz TVYKFQHYJHQOBR-IJLUTSLNSA-N 2 2 278.356 0.226 20 0 CCADLP CC(C)[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001020927697 624625806 /nfs/dbraw/zinc/62/58/06/624625806.db2.gz OOVUHRZAYRFZDU-XYPYZODXSA-N 2 2 250.346 0.608 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]Cc2nncs2)C1 ZINC001021126488 624662674 /nfs/dbraw/zinc/66/26/74/624662674.db2.gz PQFKWJFDLABVCE-MGCOHNPYSA-N 2 2 292.368 0.172 20 0 CCADLP Cc1cnc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC000970713027 624736749 /nfs/dbraw/zinc/73/67/49/624736749.db2.gz VRBZMAOWVUCDAZ-CHWSQXEVSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1cnc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC000970713027 624736761 /nfs/dbraw/zinc/73/67/61/624736761.db2.gz VRBZMAOWVUCDAZ-CHWSQXEVSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1ccc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)nc1 ZINC000926091349 624785794 /nfs/dbraw/zinc/78/57/94/624785794.db2.gz XROHPXIYFSAMKG-UHFFFAOYSA-N 2 2 277.372 0.935 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001022309278 624921266 /nfs/dbraw/zinc/92/12/66/624921266.db2.gz AQVOEQVGPMVVJM-XQHKEYJVSA-N 2 2 292.383 0.063 20 0 CCADLP Cc1cc(C)c(C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)c(C)[nH+]1 ZINC001022461138 624999316 /nfs/dbraw/zinc/99/93/16/624999316.db2.gz AAUILZAVJDLQDJ-BETUJISGSA-N 2 2 277.368 0.850 20 0 CCADLP Cc1cc(C)c(C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)c(C)[nH+]1 ZINC001022462566 624999524 /nfs/dbraw/zinc/99/95/24/624999524.db2.gz UFUGZNSSJHRZPG-TXEJJXNPSA-N 2 2 290.367 0.343 20 0 CCADLP C[C@H](NC(=O)NCc1c[nH+]cn1C)[C@H]1CCC[NH2+]C1 ZINC000891981613 625016069 /nfs/dbraw/zinc/01/60/69/625016069.db2.gz MOLTZVBZSBBJNR-QWRGUYRKSA-N 2 2 265.361 0.607 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)CCCO1 ZINC000313335894 625771061 /nfs/dbraw/zinc/77/10/61/625771061.db2.gz BWRSMACKOSLUJU-IUCAKERBSA-N 2 2 256.268 0.349 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)CCCO1 ZINC000313335894 625771067 /nfs/dbraw/zinc/77/10/67/625771067.db2.gz BWRSMACKOSLUJU-IUCAKERBSA-N 2 2 256.268 0.349 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](C[C@H]2COc3ccccc3O2)CCCO1 ZINC000313407941 625795943 /nfs/dbraw/zinc/79/59/43/625795943.db2.gz YMLMCPGRZQVMNQ-STQMWFEESA-N 2 2 278.352 0.876 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](C[C@H]2COc3ccccc3O2)CCCO1 ZINC000313407941 625795956 /nfs/dbraw/zinc/79/59/56/625795956.db2.gz YMLMCPGRZQVMNQ-STQMWFEESA-N 2 2 278.352 0.876 20 0 CCADLP c1cn(CCC[NH2+][C@@H]2CCO[C@]23CCOC3)c[nH+]1 ZINC000903055402 634529701 /nfs/dbraw/zinc/52/97/01/634529701.db2.gz FDOZAXXNGPGBST-OLZOCXBDSA-N 2 2 251.330 0.811 20 0 CCADLP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](C[C@H]2CCC[NH2+]2)CC1 ZINC000903458480 634564886 /nfs/dbraw/zinc/56/48/86/634564886.db2.gz BAOBHVXQJOUICQ-ILXRZTDVSA-N 3 2 267.417 0.957 20 0 CCADLP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](C[C@H]2CCC[NH2+]2)CC1 ZINC000903458481 634565643 /nfs/dbraw/zinc/56/56/43/634565643.db2.gz BAOBHVXQJOUICQ-KFWWJZLASA-N 3 2 267.417 0.957 20 0 CCADLP C[C@]1([C@H]2CCC[N@H+](C[C@@H]3C[NH2+]CCO3)C2)COC(=O)N1 ZINC000903561621 634607611 /nfs/dbraw/zinc/60/76/11/634607611.db2.gz LSJKWVYGPAVXNV-SGMGOOAPSA-N 2 2 283.372 0.185 20 0 CCADLP C[C@]1([C@H]2CCC[N@@H+](C[C@@H]3C[NH2+]CCO3)C2)COC(=O)N1 ZINC000903561621 634607616 /nfs/dbraw/zinc/60/76/16/634607616.db2.gz LSJKWVYGPAVXNV-SGMGOOAPSA-N 2 2 283.372 0.185 20 0 CCADLP O[C@@H](C[N@@H+]1CC[NH2+]CCC12CCOCC2)C(F)(F)F ZINC000903818137 634654697 /nfs/dbraw/zinc/65/46/97/634654697.db2.gz XYHXDQXCGVPURA-JTQLQIEISA-N 2 2 282.306 0.754 20 0 CCADLP O[C@@H](C[N@H+]1CC[NH2+]CCC12CCOCC2)C(F)(F)F ZINC000903818137 634654702 /nfs/dbraw/zinc/65/47/02/634654702.db2.gz XYHXDQXCGVPURA-JTQLQIEISA-N 2 2 282.306 0.754 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2CCO[C@H]1CCOC1 ZINC000903804793 634655900 /nfs/dbraw/zinc/65/59/00/634655900.db2.gz KLGHQSUTDUPSDO-MELADBBJSA-N 2 2 254.374 0.995 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2CCO[C@H]1CCOC1 ZINC000903804793 634655905 /nfs/dbraw/zinc/65/59/05/634655905.db2.gz KLGHQSUTDUPSDO-MELADBBJSA-N 2 2 254.374 0.995 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H](O)C[NH+]1CCCC1)C2 ZINC000903839482 634664735 /nfs/dbraw/zinc/66/47/35/634664735.db2.gz LVPVWYNNAKABAV-XUXIUFHCSA-N 3 2 253.390 0.255 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C2 ZINC000903839482 634664740 /nfs/dbraw/zinc/66/47/40/634664740.db2.gz LVPVWYNNAKABAV-XUXIUFHCSA-N 3 2 253.390 0.255 20 0 CCADLP O[C@H](Cn1cccn1)C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903865210 634670543 /nfs/dbraw/zinc/67/05/43/634670543.db2.gz BFZGFLCEUCBCID-STQMWFEESA-N 2 2 250.346 0.072 20 0 CCADLP O[C@H](Cn1cccn1)C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903865210 634670546 /nfs/dbraw/zinc/67/05/46/634670546.db2.gz BFZGFLCEUCBCID-STQMWFEESA-N 2 2 250.346 0.072 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCO[C@H](C)[C@@H]2C)cnn1C ZINC000903891532 634671862 /nfs/dbraw/zinc/67/18/62/634671862.db2.gz BUXXRGZFMBMVON-IACUBPJLSA-N 2 2 280.416 0.955 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCO[C@H](C)[C@@H]2C)cnn1C ZINC000903891532 634671865 /nfs/dbraw/zinc/67/18/65/634671865.db2.gz BUXXRGZFMBMVON-IACUBPJLSA-N 2 2 280.416 0.955 20 0 CCADLP CC[C@@H]1C[N@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)CC[C@H]1[NH3+] ZINC000903874419 634675315 /nfs/dbraw/zinc/67/53/15/634675315.db2.gz ZZNCBUSXBLACCB-IIAWOOMASA-N 3 2 293.459 0.905 20 0 CCADLP CC[C@@H]1C[N@@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)CC[C@H]1[NH3+] ZINC000903874419 634675317 /nfs/dbraw/zinc/67/53/17/634675317.db2.gz ZZNCBUSXBLACCB-IIAWOOMASA-N 3 2 293.459 0.905 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCOC[C@H]2C2CC2)cnn1C ZINC000903895456 634679422 /nfs/dbraw/zinc/67/94/22/634679422.db2.gz OAXXEQCPVVGPMF-CJNGLKHVSA-N 2 2 292.427 0.957 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCOC[C@H]2C2CC2)cnn1C ZINC000903895456 634679424 /nfs/dbraw/zinc/67/94/24/634679424.db2.gz OAXXEQCPVVGPMF-CJNGLKHVSA-N 2 2 292.427 0.957 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cnn1C ZINC000903916292 634694521 /nfs/dbraw/zinc/69/45/21/634694521.db2.gz GPBZQYPAQCWLOJ-YCPHGPKFSA-N 3 2 291.443 0.530 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cnn1C ZINC000903916292 634694525 /nfs/dbraw/zinc/69/45/25/634694525.db2.gz GPBZQYPAQCWLOJ-YCPHGPKFSA-N 3 2 291.443 0.530 20 0 CCADLP Cc1cccn2c(CN3CCC[C@]([NH3+])(CO)C3)c[nH+]c12 ZINC000904401716 634742958 /nfs/dbraw/zinc/74/29/58/634742958.db2.gz KQYULFUVRGLTPH-OAHLLOKOSA-N 2 2 274.368 0.928 20 0 CCADLP O[C@@H](C[NH2+]CCn1cc[nH+]c1)CC1(O)CCCCC1 ZINC000905037386 634780628 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C[C@@H]([NH2+]CC[C@H]1CCCS1(=O)=O)[C@H]1CCC[NH2+]1 ZINC000925765173 630968702 /nfs/dbraw/zinc/96/87/02/630968702.db2.gz KJZAMMMARZOOEH-IJLUTSLNSA-N 2 2 260.403 0.684 20 0 CCADLP O=C1C[C@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CN1CC1CC1 ZINC000925771702 631011891 /nfs/dbraw/zinc/01/18/91/631011891.db2.gz NWOHIJGNNYXRTO-OFQRWUPVSA-N 2 2 293.411 0.354 20 0 CCADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCC[N@@H+](CCO)CC1 ZINC000981934118 631338569 /nfs/dbraw/zinc/33/85/69/631338569.db2.gz WIBBIZMSLVNEOK-GFCCVEGCSA-N 2 2 292.383 0.356 20 0 CCADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCC[N@H+](CCO)CC1 ZINC000981934118 631338575 /nfs/dbraw/zinc/33/85/75/631338575.db2.gz WIBBIZMSLVNEOK-GFCCVEGCSA-N 2 2 292.383 0.356 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC2(C1)CCC[N@@H+](CCCO)C2 ZINC000982172046 631381794 /nfs/dbraw/zinc/38/17/94/631381794.db2.gz VWCHJJZASMEMML-UHFFFAOYSA-N 2 2 292.383 0.190 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC2(C1)CCC[N@H+](CCCO)C2 ZINC000982172046 631381801 /nfs/dbraw/zinc/38/18/01/631381801.db2.gz VWCHJJZASMEMML-UHFFFAOYSA-N 2 2 292.383 0.190 20 0 CCADLP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000925880573 631429097 /nfs/dbraw/zinc/42/90/97/631429097.db2.gz SWHUWDIEWQCLER-GHYVTOPFSA-N 3 2 253.390 0.470 20 0 CCADLP Cn1nnc2c1C[C@H]([NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)CC2 ZINC000925893095 631437980 /nfs/dbraw/zinc/43/79/80/631437980.db2.gz KSJGMYNZXFPMGK-BYCMXARLSA-N 2 2 291.399 0.029 20 0 CCADLP C[C@@H]1[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)CC[N@@H+]1C ZINC000928430020 631808285 /nfs/dbraw/zinc/80/82/85/631808285.db2.gz FFMAEYRNBJLSNQ-GYSYKLTISA-N 2 2 291.399 0.999 20 0 CCADLP C[C@@H]1[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)CC[N@H+]1C ZINC000928430020 631808287 /nfs/dbraw/zinc/80/82/87/631808287.db2.gz FFMAEYRNBJLSNQ-GYSYKLTISA-N 2 2 291.399 0.999 20 0 CCADLP C[C@@H]1[C@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)CC[NH+]1C ZINC000928430020 631808295 /nfs/dbraw/zinc/80/82/95/631808295.db2.gz FFMAEYRNBJLSNQ-GYSYKLTISA-N 2 2 291.399 0.999 20 0 CCADLP C[C@@H]1[C@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)CC[NH+]1C ZINC000928430020 631808298 /nfs/dbraw/zinc/80/82/98/631808298.db2.gz FFMAEYRNBJLSNQ-GYSYKLTISA-N 2 2 291.399 0.999 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)/C=C/C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000928436224 631838599 /nfs/dbraw/zinc/83/85/99/631838599.db2.gz OELUVDCBYQNMOF-HNFMAKEJSA-N 2 2 267.373 0.084 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)/C=C/C[NH+]2CCOCC2)CC[N@H+]1C ZINC000928436224 631838604 /nfs/dbraw/zinc/83/86/04/631838604.db2.gz OELUVDCBYQNMOF-HNFMAKEJSA-N 2 2 267.373 0.084 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000895704601 632135269 /nfs/dbraw/zinc/13/52/69/632135269.db2.gz PIHSDZRQGBRBCW-LBPRGKRZSA-N 2 2 292.383 0.499 20 0 CCADLP C[C@H](CNC(=O)CCC1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000237390919 632256161 /nfs/dbraw/zinc/25/61/61/632256161.db2.gz JKGAXLHISNTANF-CYBMUJFWSA-N 2 2 283.416 0.603 20 0 CCADLP CC[N@H+](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000985720290 632629062 /nfs/dbraw/zinc/62/90/62/632629062.db2.gz ZJQUUXOIGMRPKW-UHFFFAOYSA-N 2 2 250.346 0.895 20 0 CCADLP CC[N@@H+](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000985720290 632629069 /nfs/dbraw/zinc/62/90/69/632629069.db2.gz ZJQUUXOIGMRPKW-UHFFFAOYSA-N 2 2 250.346 0.895 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000986429062 632755158 /nfs/dbraw/zinc/75/51/58/632755158.db2.gz XMWWLYDDECZYDC-JQWIXIFHSA-N 2 2 288.351 0.748 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])[NH+]1CCOCC1 ZINC000263037205 632797327 /nfs/dbraw/zinc/79/73/27/632797327.db2.gz SMICZTRPQSHUGS-VNHYZAJKSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]1[C@@H]([NH2+]CCF)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000987264988 632850366 /nfs/dbraw/zinc/85/03/66/632850366.db2.gz GSWYBALUABLHRG-ZJUUUORDSA-N 2 2 254.309 0.501 20 0 CCADLP CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000988743430 633100538 /nfs/dbraw/zinc/10/05/38/633100538.db2.gz MGPLFFIDMNMSOL-QWRGUYRKSA-N 2 2 250.346 0.941 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCF)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC000988933995 633128526 /nfs/dbraw/zinc/12/85/26/633128526.db2.gz PKELEKOIKRDSAG-ZYHUDNBSSA-N 2 2 268.336 0.891 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCF)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC000988933995 633128531 /nfs/dbraw/zinc/12/85/31/633128531.db2.gz PKELEKOIKRDSAG-ZYHUDNBSSA-N 2 2 268.336 0.891 20 0 CCADLP CCC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000989491399 633317934 /nfs/dbraw/zinc/31/79/34/633317934.db2.gz GGEDGRQWXDPOTM-JQWIXIFHSA-N 2 2 250.346 0.941 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]CCF)C[C@@H]1C ZINC000989724529 633348401 /nfs/dbraw/zinc/34/84/01/633348401.db2.gz AGNLBHJSHNCSEZ-GXSJLCMTSA-N 2 2 268.336 0.809 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898504144 633616346 /nfs/dbraw/zinc/61/63/46/633616346.db2.gz OGCOHOWXMVLXHL-GFCCVEGCSA-N 2 2 268.336 0.742 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898504144 633616351 /nfs/dbraw/zinc/61/63/51/633616351.db2.gz OGCOHOWXMVLXHL-GFCCVEGCSA-N 2 2 268.336 0.742 20 0 CCADLP OC1CC[NH+](Cc2cn(C[C@@H]3CCCC[NH2+]C3)nn2)CC1 ZINC000899740255 633883378 /nfs/dbraw/zinc/88/33/78/633883378.db2.gz FJODEBZXFCLOJT-CYBMUJFWSA-N 2 2 293.415 0.625 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000901202653 634207411 /nfs/dbraw/zinc/20/74/11/634207411.db2.gz DDJDVHUKXXBRMM-LBPRGKRZSA-N 2 2 274.368 0.832 20 0 CCADLP O=C(N1CCC[C@@H]([NH+]2CCOCC2)C1)C12CC[NH+](CC1)C2 ZINC000908534339 635406969 /nfs/dbraw/zinc/40/69/69/635406969.db2.gz QCYRINYETNYFLX-CQSZACIVSA-N 2 2 293.411 0.405 20 0 CCADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)CNc1cccc[nH+]1 ZINC000910930654 635853655 /nfs/dbraw/zinc/85/36/55/635853655.db2.gz LLBGNMLKALRHGR-CHWSQXEVSA-N 2 2 292.383 0.407 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)CNc1cccc[nH+]1 ZINC000910930654 635853656 /nfs/dbraw/zinc/85/36/56/635853656.db2.gz LLBGNMLKALRHGR-CHWSQXEVSA-N 2 2 292.383 0.407 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CCC[NH2+]C1 ZINC000911719691 636349308 /nfs/dbraw/zinc/34/93/08/636349308.db2.gz NPOVZHWPSYGQGQ-XQQFMLRXSA-N 2 2 276.384 0.950 20 0 CCADLP C/C(=C\C(=O)N(C)CC1C[NH+](C)C1)C[NH+]1CCOCC1 ZINC000912455895 636590171 /nfs/dbraw/zinc/59/01/71/636590171.db2.gz WHIPLTXQEDGKPM-MDWZMJQESA-N 2 2 281.400 0.285 20 0 CCADLP CC(C)[C@@H](C[NH2+]Cc1c[nH]cn1)N1CC[NH+](C)CC1 ZINC000054765179 636846743 /nfs/dbraw/zinc/84/67/43/636846743.db2.gz LWBFBMIBFJXJPV-CQSZACIVSA-N 2 2 265.405 0.771 20 0 CCADLP CNc1cc(N2CCC[N@H+](CCO)CC2)nc[nH+]1 ZINC000227382387 637024043 /nfs/dbraw/zinc/02/40/43/637024043.db2.gz VBEXYOPACKGXOS-UHFFFAOYSA-N 2 2 251.334 0.023 20 0 CCADLP CNc1cc(N2CCC[N@@H+](CCO)CC2)nc[nH+]1 ZINC000227382387 637024048 /nfs/dbraw/zinc/02/40/48/637024048.db2.gz VBEXYOPACKGXOS-UHFFFAOYSA-N 2 2 251.334 0.023 20 0 CCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NC13CC[NH+](CC1)C3)C2 ZINC000913634290 637392026 /nfs/dbraw/zinc/39/20/26/637392026.db2.gz JZJKARRELZBUHA-NSHDSACASA-N 2 2 274.368 0.787 20 0 CCADLP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+]1CCOCC1 ZINC000914067425 637499997 /nfs/dbraw/zinc/49/99/97/637499997.db2.gz ROHWTOKIBBZQKA-JHJVBQTASA-N 2 2 284.404 0.099 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CCCO ZINC000948089253 638207829 /nfs/dbraw/zinc/20/78/29/638207829.db2.gz AVEPGCLIWVGAIQ-STQMWFEESA-N 2 2 280.372 0.235 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CCCO ZINC000948089253 638207831 /nfs/dbraw/zinc/20/78/31/638207831.db2.gz AVEPGCLIWVGAIQ-STQMWFEESA-N 2 2 280.372 0.235 20 0 CCADLP CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000995231972 638646452 /nfs/dbraw/zinc/64/64/52/638646452.db2.gz BICPFDQSJGUOSG-RYUDHWBXSA-N 2 2 250.346 0.778 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC000996711852 638829707 /nfs/dbraw/zinc/82/97/07/638829707.db2.gz CGCHAEYYGXSACT-NEPJUHHUSA-N 2 2 280.372 0.091 20 0 CCADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC([NH2+]CCF)CC1 ZINC000996738939 638830258 /nfs/dbraw/zinc/83/02/58/638830258.db2.gz OQZBQQGTAFKWFS-LBPRGKRZSA-N 2 2 294.374 0.996 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001016115118 638926776 /nfs/dbraw/zinc/92/67/76/638926776.db2.gz WQVQHEKSKHJKMR-PWSUYJOCSA-N 2 2 280.372 0.486 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001016115118 638926778 /nfs/dbraw/zinc/92/67/78/638926778.db2.gz WQVQHEKSKHJKMR-PWSUYJOCSA-N 2 2 280.372 0.486 20 0 CCADLP CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC([NH2+]CCF)C1 ZINC000999006416 638954967 /nfs/dbraw/zinc/95/49/67/638954967.db2.gz COZQEWUSZCBHPS-HIFPTAJRSA-N 2 2 294.374 0.994 20 0 CCADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000999537856 638984653 /nfs/dbraw/zinc/98/46/53/638984653.db2.gz UYGXLECYDHNWET-QWHCGFSZSA-N 2 2 292.383 0.018 20 0 CCADLP C[C@@H](O)C[NH2+]C1CC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000999696530 638992334 /nfs/dbraw/zinc/99/23/34/638992334.db2.gz FDALVUPMAQSFQL-VOMCLLRMSA-N 2 2 294.399 0.647 20 0 CCADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001000157122 639046250 /nfs/dbraw/zinc/04/62/50/639046250.db2.gz GNBRVTUOPBPNKM-VXGBXAGGSA-N 2 2 292.383 0.403 20 0 CCADLP C[C@H](CC[NH2+]Cc1c2c(nn1C)CCOC2)[NH+](C)C ZINC000922254908 639605094 /nfs/dbraw/zinc/60/50/94/639605094.db2.gz PFZRDLVAXPXJGA-LLVKDONJSA-N 2 2 266.389 0.923 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](CCCO)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001015017130 650514783 /nfs/dbraw/zinc/51/47/83/650514783.db2.gz ZZVOXRFSVGCSTC-CHWSQXEVSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](CCCO)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001015017130 650514786 /nfs/dbraw/zinc/51/47/86/650514786.db2.gz ZZVOXRFSVGCSTC-CHWSQXEVSA-N 2 2 292.383 0.018 20 0 CCADLP CO[C@H](C)C[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001004257956 639738640 /nfs/dbraw/zinc/73/86/40/639738640.db2.gz OMHMNDINCJPLQV-GFCCVEGCSA-N 2 2 280.372 0.499 20 0 CCADLP O=C(C[NH+]1CCN(CCC[NH2+]C2CC2)CC1)NC1CC1 ZINC000923319270 640080011 /nfs/dbraw/zinc/08/00/11/640080011.db2.gz NRUPNSKLLRCFDP-UHFFFAOYSA-N 2 2 280.416 0.025 20 0 CCADLP Cn1ccnc1C[N@H+](CCO)[C@H]1CC12CC[NH2+]CC2 ZINC000923343818 640093841 /nfs/dbraw/zinc/09/38/41/640093841.db2.gz XLZFSTWEFVWJAP-LBPRGKRZSA-N 2 2 264.373 0.357 20 0 CCADLP Cn1ccnc1C[N@@H+](CCO)[C@H]1CC12CC[NH2+]CC2 ZINC000923343818 640093846 /nfs/dbraw/zinc/09/38/46/640093846.db2.gz XLZFSTWEFVWJAP-LBPRGKRZSA-N 2 2 264.373 0.357 20 0 CCADLP C[C@@H]1CC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)[C@H](C[NH3+])C1 ZINC000923388387 640117676 /nfs/dbraw/zinc/11/76/76/640117676.db2.gz JHOKBZXSDJOBFL-AGIUHOORSA-N 3 2 253.390 0.424 20 0 CCADLP C[C@@H]1CC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)[C@H](C[NH3+])C1 ZINC000923388387 640117680 /nfs/dbraw/zinc/11/76/80/640117680.db2.gz JHOKBZXSDJOBFL-AGIUHOORSA-N 3 2 253.390 0.424 20 0 CCADLP C[C@@H]1CC[N@H+](C[C@H](O)COC2CCOCC2)[C@H](C[NH3+])C1 ZINC000923388373 640117983 /nfs/dbraw/zinc/11/79/83/640117983.db2.gz JCDDDYVNTUGTMO-RDBSUJKOSA-N 2 2 286.416 0.602 20 0 CCADLP C[C@@H]1CC[N@@H+](C[C@H](O)COC2CCOCC2)[C@H](C[NH3+])C1 ZINC000923388373 640117987 /nfs/dbraw/zinc/11/79/87/640117987.db2.gz JCDDDYVNTUGTMO-RDBSUJKOSA-N 2 2 286.416 0.602 20 0 CCADLP OCC[NH2+]C1CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC000923413551 640130051 /nfs/dbraw/zinc/13/00/51/640130051.db2.gz QVOIFOLECKANDS-HNNXBMFYSA-N 2 2 282.359 0.905 20 0 CCADLP C[C@H]1C[N@H+](Cc2cc(=O)n3[nH]ccc3n2)CC[C@H]1C[NH3+] ZINC000923500323 640171790 /nfs/dbraw/zinc/17/17/90/640171790.db2.gz WSCDCJBTTXDPIM-QWRGUYRKSA-N 2 2 275.356 0.439 20 0 CCADLP C[C@H]1C[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)CC[C@H]1C[NH3+] ZINC000923500323 640171796 /nfs/dbraw/zinc/17/17/96/640171796.db2.gz WSCDCJBTTXDPIM-QWRGUYRKSA-N 2 2 275.356 0.439 20 0 CCADLP O=C1CC[C@@H]([N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C(=O)N1 ZINC000799138546 640546994 /nfs/dbraw/zinc/54/69/94/640546994.db2.gz CGMCTLDBMWSSHH-VHSXEESVSA-N 2 2 262.313 0.394 20 0 CCADLP O=C1CC[C@@H]([N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C(=O)N1 ZINC000799138546 640546999 /nfs/dbraw/zinc/54/69/99/640546999.db2.gz CGMCTLDBMWSSHH-VHSXEESVSA-N 2 2 262.313 0.394 20 0 CCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[NH+](CCF)C1 ZINC001015702357 650612240 /nfs/dbraw/zinc/61/22/40/650612240.db2.gz MZXLMZKBDYPXET-NEPJUHHUSA-N 2 2 257.353 0.631 20 0 CCADLP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[NH+](CCF)C1 ZINC001015702357 650612242 /nfs/dbraw/zinc/61/22/42/650612242.db2.gz MZXLMZKBDYPXET-NEPJUHHUSA-N 2 2 257.353 0.631 20 0 CCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@H+](CCF)C1 ZINC001015702357 650612243 /nfs/dbraw/zinc/61/22/43/650612243.db2.gz MZXLMZKBDYPXET-NEPJUHHUSA-N 2 2 257.353 0.631 20 0 CCADLP C[C@@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@@H+](CCF)C1 ZINC001015702357 650612245 /nfs/dbraw/zinc/61/22/45/650612245.db2.gz MZXLMZKBDYPXET-NEPJUHHUSA-N 2 2 257.353 0.631 20 0 CCADLP CC(C)OCC[NH+]1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000816942895 641235707 /nfs/dbraw/zinc/23/57/07/641235707.db2.gz DXIDKZGEVBTSES-UHFFFAOYSA-N 2 2 294.399 0.958 20 0 CCADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001016258714 650706918 /nfs/dbraw/zinc/70/69/18/650706918.db2.gz IOQQOGDIKVXSBT-OAHLLOKOSA-N 2 2 288.395 0.868 20 0 CCADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001016258714 650706920 /nfs/dbraw/zinc/70/69/20/650706920.db2.gz IOQQOGDIKVXSBT-OAHLLOKOSA-N 2 2 288.395 0.868 20 0 CCADLP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000828591618 642107527 /nfs/dbraw/zinc/10/75/27/642107527.db2.gz MQUYRLUSZXHVOT-QWRGUYRKSA-N 2 2 250.346 0.751 20 0 CCADLP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000828591618 642107533 /nfs/dbraw/zinc/10/75/33/642107533.db2.gz MQUYRLUSZXHVOT-QWRGUYRKSA-N 2 2 250.346 0.751 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC001016398880 650724823 /nfs/dbraw/zinc/72/48/23/650724823.db2.gz ZUQUSWBZJMWYNI-KBPBESRZSA-N 2 2 292.383 0.643 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC001016398880 650724824 /nfs/dbraw/zinc/72/48/24/650724824.db2.gz ZUQUSWBZJMWYNI-KBPBESRZSA-N 2 2 292.383 0.643 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016395812 650724973 /nfs/dbraw/zinc/72/49/73/650724973.db2.gz AEPGQEPAQDQTQQ-VXGBXAGGSA-N 2 2 266.345 0.109 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016395812 650724975 /nfs/dbraw/zinc/72/49/75/650724975.db2.gz AEPGQEPAQDQTQQ-VXGBXAGGSA-N 2 2 266.345 0.109 20 0 CCADLP CC(C)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016399865 650726681 /nfs/dbraw/zinc/72/66/81/650726681.db2.gz QFLBBPBUASIEFV-LBPRGKRZSA-N 2 2 250.346 0.730 20 0 CCADLP CC(C)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016399865 650726682 /nfs/dbraw/zinc/72/66/82/650726682.db2.gz QFLBBPBUASIEFV-LBPRGKRZSA-N 2 2 250.346 0.730 20 0 CCADLP [NH3+]C[C@H]1CCCCN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000832465737 642484580 /nfs/dbraw/zinc/48/45/80/642484580.db2.gz PGRCVPVUQKQWQG-SECBINFHSA-N 2 2 263.345 0.009 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC12CC[NH+](CCF)CC2 ZINC001016850168 650765814 /nfs/dbraw/zinc/76/58/14/650765814.db2.gz HCSRFRWZDZNIKA-GFCCVEGCSA-N 2 2 280.347 0.892 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC12CC[NH+](CCF)CC2 ZINC001016850169 650766128 /nfs/dbraw/zinc/76/61/28/650766128.db2.gz HCSRFRWZDZNIKA-LBPRGKRZSA-N 2 2 280.347 0.892 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000841063846 642801735 /nfs/dbraw/zinc/80/17/35/642801735.db2.gz ASDRARSUTOETRR-FZMZJTMJSA-N 2 2 277.368 0.781 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000841063850 642802346 /nfs/dbraw/zinc/80/23/46/642802346.db2.gz ASDRARSUTOETRR-SMDDNHRTSA-N 2 2 277.368 0.781 20 0 CCADLP Cn1ccnc1[C@H](O)[C@@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000843064489 642985834 /nfs/dbraw/zinc/98/58/34/642985834.db2.gz GHPPNNCLHUCXDG-VXGBXAGGSA-N 2 2 266.389 0.903 20 0 CCADLP Cn1ccnc1[C@H](O)[C@@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000843064489 642985845 /nfs/dbraw/zinc/98/58/45/642985845.db2.gz GHPPNNCLHUCXDG-VXGBXAGGSA-N 2 2 266.389 0.903 20 0 CCADLP c1c(Cc2nc(N3CC[NH2+]CC3)no2)[nH+]c2n1CCCC2 ZINC000844924482 643255779 /nfs/dbraw/zinc/25/57/79/643255779.db2.gz RFRNGACSXWUYSC-UHFFFAOYSA-N 2 2 288.355 0.603 20 0 CCADLP OC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CC1 ZINC000848533426 643650304 /nfs/dbraw/zinc/65/03/04/643650304.db2.gz HSZBOGPMMFMCKT-ZIAGYGMSSA-N 2 2 254.374 0.600 20 0 CCADLP OCC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC000848535202 643650338 /nfs/dbraw/zinc/65/03/38/643650338.db2.gz XSWXDAOYRWGMDU-LSDHHAIUSA-N 2 2 268.401 0.990 20 0 CCADLP O=C1CCC2=C(CC[N@@H+](C[C@H](O)C[NH+]3CCCC3)C2)N1 ZINC000852299907 643951046 /nfs/dbraw/zinc/95/10/46/643951046.db2.gz HCIUAPZNVYTTJT-CYBMUJFWSA-N 2 2 279.384 0.313 20 0 CCADLP O=C1CCC2=C(CC[N@H+](C[C@H](O)C[NH+]3CCCC3)C2)N1 ZINC000852299907 643951049 /nfs/dbraw/zinc/95/10/49/643951049.db2.gz HCIUAPZNVYTTJT-CYBMUJFWSA-N 2 2 279.384 0.313 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000857112589 644471954 /nfs/dbraw/zinc/47/19/54/644471954.db2.gz FYNWHJCJPTXQHI-NSHDSACASA-N 2 2 265.361 0.967 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N1CC[C@H]([NH2+]C[C@@H](C)O)C1 ZINC001019030960 650931671 /nfs/dbraw/zinc/93/16/71/650931671.db2.gz BZJKBPDCNRXLPR-YPMHNXCESA-N 2 2 293.367 0.204 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]([NH2+]Cc2cccnc2)C1 ZINC001019654823 650996123 /nfs/dbraw/zinc/99/61/23/650996123.db2.gz DMFWHURQQPVWJF-AWEZNQCLSA-N 2 2 299.378 0.748 20 0 CCADLP O=C([C@H](O)c1c[nH+]c[nH]1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000865124023 645325015 /nfs/dbraw/zinc/32/50/15/645325015.db2.gz APBGEGFNDSQQRU-ZYHUDNBSSA-N 2 2 264.329 0.140 20 0 CCADLP Cc1cccnc1C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001019869130 651011619 /nfs/dbraw/zinc/01/16/19/651011619.db2.gz SLTUXGJEBMAUBV-AWEZNQCLSA-N 2 2 299.378 0.977 20 0 CCADLP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC[N@@H+]1C ZINC000866050027 645469821 /nfs/dbraw/zinc/46/98/21/645469821.db2.gz QQJZAHDFIDHTJR-SCVCMEIPSA-N 2 2 266.345 0.384 20 0 CCADLP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC[N@H+]1C ZINC000866050027 645469831 /nfs/dbraw/zinc/46/98/31/645469831.db2.gz QQJZAHDFIDHTJR-SCVCMEIPSA-N 2 2 266.345 0.384 20 0 CCADLP OCCC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1C[NH2+]CCO1 ZINC000866727518 645583470 /nfs/dbraw/zinc/58/34/70/645583470.db2.gz MZRGACAFSOALPN-WTUNAVPPSA-N 2 2 254.374 0.600 20 0 CCADLP OCCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1C[NH2+]CCO1 ZINC000866727518 645583484 /nfs/dbraw/zinc/58/34/84/645583484.db2.gz MZRGACAFSOALPN-WTUNAVPPSA-N 2 2 254.374 0.600 20 0 CCADLP C[C@H](CNC(=O)/C=C\C[NH+]1CCOCC1)C[NH+](C)C ZINC000868513694 645780114 /nfs/dbraw/zinc/78/01/14/645780114.db2.gz QBAIQNRTZCPNSC-DSYXLKISSA-N 2 2 269.389 0.189 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)c[nH+]1 ZINC001020281481 651055690 /nfs/dbraw/zinc/05/56/90/651055690.db2.gz QDQTXHYCRDICKR-HAQNSBGRSA-N 2 2 280.372 0.156 20 0 CCADLP O=S(=O)([C@@H]1CCC[NH2+]C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000923623346 646025706 /nfs/dbraw/zinc/02/57/06/646025706.db2.gz AFGBGXBPZUYESY-NWDGAFQWSA-N 2 2 298.412 0.671 20 0 CCADLP O=C(CC[NH2+]CC1CC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000870897010 646040126 /nfs/dbraw/zinc/04/01/26/646040126.db2.gz YFHNIDIGRAADTO-HNNXBMFYSA-N 2 2 295.427 0.699 20 0 CCADLP [NH3+][C@H]1CC[C@@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000870953847 646060784 /nfs/dbraw/zinc/06/07/84/646060784.db2.gz PMPIYCLKBFEEAI-MJBXVCDLSA-N 2 2 281.400 0.437 20 0 CCADLP [NH3+][C@@H](C(=O)NC[C@@H]1C[C@H]([NH3+])C1)c1c(F)cccc1F ZINC000870964402 646063940 /nfs/dbraw/zinc/06/39/40/646063940.db2.gz BRWNTANUHIKKNC-RGNHYFCHSA-N 2 2 269.295 0.818 20 0 CCADLP C[C@H]([NH2+]Cc1ccnc(-n2cncn2)c1)[C@H]1CCC[NH2+]1 ZINC000873236857 646364131 /nfs/dbraw/zinc/36/41/31/646364131.db2.gz GUKMOUPPZFMMEP-WCQYABFASA-N 2 2 272.356 0.892 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873294227 646372457 /nfs/dbraw/zinc/37/24/57/646372457.db2.gz QOJSSGCQNHSIPD-RBSFLKMASA-N 3 2 297.443 0.502 20 0 CCADLP C[C@@H](CNC(=O)N[C@H]1Cc2c[nH+]cn2C1)[NH+]1CCCCC1 ZINC000875130009 646510769 /nfs/dbraw/zinc/51/07/69/646510769.db2.gz CKYXGSJMKVSXBZ-STQMWFEESA-N 2 2 291.399 0.981 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876730105 646651887 /nfs/dbraw/zinc/65/18/87/646651887.db2.gz CTVGVMQKPZYHMS-MXWKQRLJSA-N 2 2 254.309 0.335 20 0 CCADLP CC(C)(CC[NH3+])NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876926809 646699408 /nfs/dbraw/zinc/69/94/08/646699408.db2.gz GOOIYVHAGMDNIH-ONEGZZNKSA-N 2 2 255.362 0.118 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@]23CCC[C@H]2[NH2+]CC3)[C@H](C)CO1 ZINC000876960744 646707689 /nfs/dbraw/zinc/70/76/89/646707689.db2.gz LSUCOHOJJIUNHJ-KQTLUZQSSA-N 2 2 295.427 0.744 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@]23CCC[C@H]2[NH2+]CC3)[C@H](C)CO1 ZINC000876960744 646707696 /nfs/dbraw/zinc/70/76/96/646707696.db2.gz LSUCOHOJJIUNHJ-KQTLUZQSSA-N 2 2 295.427 0.744 20 0 CCADLP O=C(/C=C/[C@@H]1CCC[NH2+]C1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000876973387 646710777 /nfs/dbraw/zinc/71/07/77/646710777.db2.gz ZHKNHQFSNXBMLU-WFVIONGDSA-N 2 2 292.427 0.048 20 0 CCADLP O=C(/C=C/[C@@H]1CCC[NH2+]C1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000876973387 646710782 /nfs/dbraw/zinc/71/07/82/646710782.db2.gz ZHKNHQFSNXBMLU-WFVIONGDSA-N 2 2 292.427 0.048 20 0 CCADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877386326 646808228 /nfs/dbraw/zinc/80/82/28/646808228.db2.gz QCXJVHCJFDWCOY-BFOXKCCLSA-N 2 2 279.384 0.276 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+](CC1CC1)[C@H](C(N)=O)C1CC1)C1CC1 ZINC000879487704 647064578 /nfs/dbraw/zinc/06/45/78/647064578.db2.gz ZMCHLVKOCVCHOH-GJZGRUSLSA-N 2 2 295.427 0.417 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+](CC1CC1)[C@H](C(N)=O)C1CC1)C1CC1 ZINC000879487704 647064585 /nfs/dbraw/zinc/06/45/85/647064585.db2.gz ZMCHLVKOCVCHOH-GJZGRUSLSA-N 2 2 295.427 0.417 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+](CC1CC1)[C@H](C(N)=O)C1CC1)C1CC1 ZINC000879487704 647064590 /nfs/dbraw/zinc/06/45/90/647064590.db2.gz ZMCHLVKOCVCHOH-GJZGRUSLSA-N 2 2 295.427 0.417 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+](CC1CC1)[C@H](C(N)=O)C1CC1)C1CC1 ZINC000879487704 647064596 /nfs/dbraw/zinc/06/45/96/647064596.db2.gz ZMCHLVKOCVCHOH-GJZGRUSLSA-N 2 2 295.427 0.417 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000879941085 647130719 /nfs/dbraw/zinc/13/07/19/647130719.db2.gz SPWGBAXBHRASSG-KBPBESRZSA-N 2 2 297.424 0.948 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000879941085 647130722 /nfs/dbraw/zinc/13/07/22/647130722.db2.gz SPWGBAXBHRASSG-KBPBESRZSA-N 2 2 297.424 0.948 20 0 CCADLP C[C@H]1C[N@H+](CC2OCCO2)CCN1c1cc[nH+]cc1 ZINC000880258635 647176780 /nfs/dbraw/zinc/17/67/80/647176780.db2.gz BODVTLWTJPZBEN-LBPRGKRZSA-N 2 2 263.341 0.965 20 0 CCADLP C[C@H]1C[N@@H+](CC2OCCO2)CCN1c1cc[nH+]cc1 ZINC000880258635 647176783 /nfs/dbraw/zinc/17/67/83/647176783.db2.gz BODVTLWTJPZBEN-LBPRGKRZSA-N 2 2 263.341 0.965 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2CC[NH2+]CCC23CCC3)CCO1 ZINC000883459053 647530619 /nfs/dbraw/zinc/53/06/19/647530619.db2.gz HTJVUFSRWYIBJD-CQSZACIVSA-N 2 2 267.417 0.925 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2CC[NH2+]CCC23CCC3)CCO1 ZINC000883459053 647530623 /nfs/dbraw/zinc/53/06/23/647530623.db2.gz HTJVUFSRWYIBJD-CQSZACIVSA-N 2 2 267.417 0.925 20 0 CCADLP C[C@H](CNC(=O)[C@@H]([NH3+])CC1CC1)Cn1cc[nH+]c1 ZINC000884196677 647665915 /nfs/dbraw/zinc/66/59/15/647665915.db2.gz XRPPVHMFDGGDHO-PWSUYJOCSA-N 2 2 250.346 0.763 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@@H]2C[NH2+]CCCO2)c[nH+]1 ZINC000884302542 647703409 /nfs/dbraw/zinc/70/34/09/647703409.db2.gz SXYAOBVKSICEHI-LBPRGKRZSA-N 2 2 280.372 0.421 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](C[C@](C)(O)C(F)F)CC1 ZINC000886081505 647897822 /nfs/dbraw/zinc/89/78/22/647897822.db2.gz QWXYOEDRIUCCBL-LBPRGKRZSA-N 2 2 274.315 0.558 20 0 CCADLP O=C1NCCN1CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000886324282 647965312 /nfs/dbraw/zinc/96/53/12/647965312.db2.gz GUILGFJLWFSXPP-UHFFFAOYSA-N 2 2 285.351 0.987 20 0 CCADLP C[C@H]1C[N@@H+]([C@H]2CC(=O)NC2=O)CCN1c1cc[nH+]cc1 ZINC000887301376 648088307 /nfs/dbraw/zinc/08/83/07/648088307.db2.gz WSROAMOXVNNRMF-JQWIXIFHSA-N 2 2 274.324 0.007 20 0 CCADLP C[C@H]1C[N@H+]([C@H]2CC(=O)NC2=O)CCN1c1cc[nH+]cc1 ZINC000887301376 648088310 /nfs/dbraw/zinc/08/83/10/648088310.db2.gz WSROAMOXVNNRMF-JQWIXIFHSA-N 2 2 274.324 0.007 20 0 CCADLP Cc1cc(CN2C(=O)N[C@@H](C[NH+](C)C)C2=O)cc(C)[nH+]1 ZINC000924944894 648390564 /nfs/dbraw/zinc/39/05/64/648390564.db2.gz WWTJZVVDLOIIJA-LBPRGKRZSA-N 2 2 276.340 0.680 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925414936 648431591 /nfs/dbraw/zinc/43/15/91/648431591.db2.gz BLRLTZCUMHFUJJ-STQMWFEESA-N 2 2 284.404 0.053 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000925414936 648431593 /nfs/dbraw/zinc/43/15/93/648431593.db2.gz BLRLTZCUMHFUJJ-STQMWFEESA-N 2 2 284.404 0.053 20 0 CCADLP O=C(c1ccoc1)N1CCC([NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925535129 648441626 /nfs/dbraw/zinc/44/16/26/648441626.db2.gz BVDMVTNBBHKPBM-CQSZACIVSA-N 2 2 293.367 0.462 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000925628545 648449349 /nfs/dbraw/zinc/44/93/49/648449349.db2.gz IKEXGEQPJMHUHD-XQQFMLRXSA-N 2 2 270.373 0.639 20 0 CCADLP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@@H]1CCCC[NH2+]1 ZINC000925849857 648466235 /nfs/dbraw/zinc/46/62/35/648466235.db2.gz QXVCWQGYUUITMS-MJBXVCDLSA-N 3 2 295.427 0.792 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCO[C@H]1CCOC1 ZINC000925874050 648468271 /nfs/dbraw/zinc/46/82/71/648468271.db2.gz GYZLBAPBFFQRQC-AGIUHOORSA-N 2 2 258.362 0.149 20 0 CCADLP OCc1cn(CCC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)nn1 ZINC000926439899 648503435 /nfs/dbraw/zinc/50/34/35/648503435.db2.gz LYXNDYBCRFPPJK-LSDHHAIUSA-N 2 2 293.415 0.767 20 0 CCADLP OCc1cn(CCC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)nn1 ZINC000926439899 648503436 /nfs/dbraw/zinc/50/34/36/648503436.db2.gz LYXNDYBCRFPPJK-LSDHHAIUSA-N 2 2 293.415 0.767 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccnnc1 ZINC000926744672 648523626 /nfs/dbraw/zinc/52/36/26/648523626.db2.gz JMIUFXDCZIQHON-AAEUAGOBSA-N 2 2 277.372 0.467 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccnnc1 ZINC000926744672 648523629 /nfs/dbraw/zinc/52/36/29/648523629.db2.gz JMIUFXDCZIQHON-AAEUAGOBSA-N 2 2 277.372 0.467 20 0 CCADLP C[C@@H]1C[N@H+](CCN2[C@@H]3CC[C@H]2C[NH+](C)CC3)CCO1 ZINC000931720296 649021179 /nfs/dbraw/zinc/02/11/79/649021179.db2.gz PFDUSVAGLQESMN-KFWWJZLASA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2[C@@H]3CC[C@H]2C[NH+](C)CC3)CCO1 ZINC000931720296 649021181 /nfs/dbraw/zinc/02/11/81/649021181.db2.gz PFDUSVAGLQESMN-KFWWJZLASA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1C[NH+](CCN2[C@@H]3CC[C@H]2C[N@H+](C)CC3)CCO1 ZINC000931720296 649021184 /nfs/dbraw/zinc/02/11/84/649021184.db2.gz PFDUSVAGLQESMN-KFWWJZLASA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1C[NH+](CCN2[C@@H]3CC[C@H]2C[N@@H+](C)CC3)CCO1 ZINC000931720296 649021186 /nfs/dbraw/zinc/02/11/86/649021186.db2.gz PFDUSVAGLQESMN-KFWWJZLASA-N 2 2 267.417 0.876 20 0 CCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H](O)C[C@]1(O)CCOC1 ZINC000931719916 649021311 /nfs/dbraw/zinc/02/13/11/649021311.db2.gz PGYSOKZYVBIODR-LJISPDSOSA-N 2 2 284.400 0.057 20 0 CCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H](O)C[C@]1(O)CCOC1 ZINC000931719916 649021312 /nfs/dbraw/zinc/02/13/12/649021312.db2.gz PGYSOKZYVBIODR-LJISPDSOSA-N 2 2 284.400 0.057 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H](O)C[C@]1(O)CCOC1 ZINC000931719916 649021313 /nfs/dbraw/zinc/02/13/13/649021313.db2.gz PGYSOKZYVBIODR-LJISPDSOSA-N 2 2 284.400 0.057 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H](O)C[C@]1(O)CCOC1 ZINC000931719916 649021314 /nfs/dbraw/zinc/02/13/14/649021314.db2.gz PGYSOKZYVBIODR-LJISPDSOSA-N 2 2 284.400 0.057 20 0 CCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H](O)Cn1cccn1 ZINC000931726051 649023556 /nfs/dbraw/zinc/02/35/56/649023556.db2.gz JDDIQJBVBRHRPF-MJBXVCDLSA-N 2 2 264.373 0.413 20 0 CCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H](O)Cn1cccn1 ZINC000931726051 649023558 /nfs/dbraw/zinc/02/35/58/649023558.db2.gz JDDIQJBVBRHRPF-MJBXVCDLSA-N 2 2 264.373 0.413 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H](O)Cn1cccn1 ZINC000931726051 649023560 /nfs/dbraw/zinc/02/35/60/649023560.db2.gz JDDIQJBVBRHRPF-MJBXVCDLSA-N 2 2 264.373 0.413 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H](O)Cn1cccn1 ZINC000931726051 649023564 /nfs/dbraw/zinc/02/35/64/649023564.db2.gz JDDIQJBVBRHRPF-MJBXVCDLSA-N 2 2 264.373 0.413 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@](C)(Cn1cccn1)C(N)=O ZINC000934221624 649161964 /nfs/dbraw/zinc/16/19/64/649161964.db2.gz QKLWOHWCTFXGER-TZMCWYRMSA-N 2 2 279.388 0.201 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH2+][C@](C)(Cn1cccn1)C(N)=O ZINC000934221624 649161967 /nfs/dbraw/zinc/16/19/67/649161967.db2.gz QKLWOHWCTFXGER-TZMCWYRMSA-N 2 2 279.388 0.201 20 0 CCADLP C[C@H](O)C[N@@H+]1CCC[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000948886585 649399697 /nfs/dbraw/zinc/39/96/97/649399697.db2.gz OXTQWJYNOJRHHK-QWHCGFSZSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@H](O)C[N@H+]1CCC[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000948886585 649399698 /nfs/dbraw/zinc/39/96/98/649399698.db2.gz OXTQWJYNOJRHHK-QWHCGFSZSA-N 2 2 294.399 0.646 20 0 CCADLP C#CCC[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000077213475 649426433 /nfs/dbraw/zinc/42/64/33/649426433.db2.gz UCVIIVLYJCXLLM-UHFFFAOYSA-N 2 2 259.357 0.688 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[NH+](CC2CCC2)CC1 ZINC000957330818 649744272 /nfs/dbraw/zinc/74/42/72/649744272.db2.gz LCSKTQPKGREZIQ-UHFFFAOYSA-N 2 2 276.384 0.907 20 0 CCADLP Cn1c(Cl)cnc1CN1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000250812300 649791418 /nfs/dbraw/zinc/79/14/18/649791418.db2.gz ZJSHAYVTOXJVKP-SECBINFHSA-N 2 2 257.769 0.148 20 0 CCADLP Cn1c(Cl)cnc1CN1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000250812300 649791420 /nfs/dbraw/zinc/79/14/20/649791420.db2.gz ZJSHAYVTOXJVKP-SECBINFHSA-N 2 2 257.769 0.148 20 0 CCADLP CN(C)c1[nH+]cc(CNC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)n1C ZINC000252558686 649828653 /nfs/dbraw/zinc/82/86/53/649828653.db2.gz UTEVWCUEHGGVLH-GXTWGEPZSA-N 2 2 293.415 0.439 20 0 CCADLP CN(C)c1[nH+]cc(CNC[C@@H]2C[N@H+]3CCC[C@H]3CO2)n1C ZINC000252558686 649828654 /nfs/dbraw/zinc/82/86/54/649828654.db2.gz UTEVWCUEHGGVLH-GXTWGEPZSA-N 2 2 293.415 0.439 20 0 CCADLP CCN(CC)c1cc(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)nc[nH+]1 ZINC001164674874 719415390 /nfs/dbraw/zinc/41/53/90/719415390.db2.gz XVARLANNAYGEAP-STQMWFEESA-N 2 2 291.399 0.842 20 0 CCADLP CCN(CC)c1cc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)nc[nH+]1 ZINC001164674874 719415395 /nfs/dbraw/zinc/41/53/95/719415395.db2.gz XVARLANNAYGEAP-STQMWFEESA-N 2 2 291.399 0.842 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Oc2ccc3[nH]c(N)[nH+]c3c2)C[N@@H+]1C ZINC001230517093 805607488 /nfs/dbraw/zinc/60/74/88/805607488.db2.gz WGDSDQCJUBWHGA-SKDRFNHKSA-N 2 2 290.323 0.770 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Oc2ccc3[nH]c(N)[nH+]c3c2)C[N@H+]1C ZINC001230517093 805607495 /nfs/dbraw/zinc/60/74/95/805607495.db2.gz WGDSDQCJUBWHGA-SKDRFNHKSA-N 2 2 290.323 0.770 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2Cc2cncs2)C1 ZINC001039027319 790406825 /nfs/dbraw/zinc/40/68/25/790406825.db2.gz JOIKDSQMXQDMFB-RYUDHWBXSA-N 2 2 294.424 0.785 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2Cc2cncs2)C1 ZINC001039027319 790406829 /nfs/dbraw/zinc/40/68/29/790406829.db2.gz JOIKDSQMXQDMFB-RYUDHWBXSA-N 2 2 294.424 0.785 20 0 CCADLP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2cncs2)C1 ZINC001039027319 790406836 /nfs/dbraw/zinc/40/68/36/790406836.db2.gz JOIKDSQMXQDMFB-RYUDHWBXSA-N 2 2 294.424 0.785 20 0 CCADLP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2cncs2)C1 ZINC001039027319 790406842 /nfs/dbraw/zinc/40/68/42/790406842.db2.gz JOIKDSQMXQDMFB-RYUDHWBXSA-N 2 2 294.424 0.785 20 0 CCADLP CCOCC[NH2+]CC1(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001167331554 790905251 /nfs/dbraw/zinc/90/52/51/790905251.db2.gz PWCAOSPKQZWVMF-UHFFFAOYSA-N 2 2 294.399 0.865 20 0 CCADLP C[NH+]1CCN(c2ccc(-n3cnc(C[NH3+])cc3=N)cc2)CC1 ZINC001167359022 790964479 /nfs/dbraw/zinc/96/44/79/790964479.db2.gz HSPFXCCXKQARLD-UHFFFAOYSA-N 2 2 298.394 0.562 20 0 CCADLP C[C@H](O)CCC[NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001266610261 791022660 /nfs/dbraw/zinc/02/26/60/791022660.db2.gz OKHDDTBJHNIENE-IHRRRGAJSA-N 2 2 294.399 0.671 20 0 CCADLP COc1cnc(C[N@H+](C)CCN2CC[NH+](C)CC2)cn1 ZINC001231936732 805870772 /nfs/dbraw/zinc/87/07/72/805870772.db2.gz SDZKZFBFNCDMFH-UHFFFAOYSA-N 2 2 279.388 0.164 20 0 CCADLP COc1cnc(C[N@@H+](C)CCN2CC[NH+](C)CC2)cn1 ZINC001231936732 805870782 /nfs/dbraw/zinc/87/07/82/805870782.db2.gz SDZKZFBFNCDMFH-UHFFFAOYSA-N 2 2 279.388 0.164 20 0 CCADLP CNC(=O)C(C)(C)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001277638493 805916485 /nfs/dbraw/zinc/91/64/85/805916485.db2.gz FHDPIONGOSBAMA-CQSZACIVSA-N 2 2 253.390 0.929 20 0 CCADLP CNC(=O)C(C)(C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC001277638493 805916491 /nfs/dbraw/zinc/91/64/91/805916491.db2.gz FHDPIONGOSBAMA-CQSZACIVSA-N 2 2 253.390 0.929 20 0 CCADLP CNC(=O)C(C)(C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC001277638493 805916495 /nfs/dbraw/zinc/91/64/95/805916495.db2.gz FHDPIONGOSBAMA-CQSZACIVSA-N 2 2 253.390 0.929 20 0 CCADLP CNC(=O)C(C)(C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001277638493 805916498 /nfs/dbraw/zinc/91/64/98/805916498.db2.gz FHDPIONGOSBAMA-CQSZACIVSA-N 2 2 253.390 0.929 20 0 CCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H](C[NH2+]CCO)C1CC1 ZINC001277663387 805937572 /nfs/dbraw/zinc/93/75/72/805937572.db2.gz WSKGTBSUXBFVQH-BZPMIXESSA-N 2 2 292.383 0.332 20 0 CCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H](C[NH2+]CCO)C1CC1 ZINC001277663387 805937583 /nfs/dbraw/zinc/93/75/83/805937583.db2.gz WSKGTBSUXBFVQH-BZPMIXESSA-N 2 2 292.383 0.332 20 0 CCADLP Cc1[nH]c(CN2CC([N@@H+](C)[C@@H]3CCOC3)C2)c[nH+]1 ZINC001232463798 805941161 /nfs/dbraw/zinc/94/11/61/805941161.db2.gz NWICANLMCBFKRJ-GFCCVEGCSA-N 2 2 250.346 0.623 20 0 CCADLP Cc1[nH]c(CN2CC([N@H+](C)[C@@H]3CCOC3)C2)c[nH+]1 ZINC001232463798 805941170 /nfs/dbraw/zinc/94/11/70/805941170.db2.gz NWICANLMCBFKRJ-GFCCVEGCSA-N 2 2 250.346 0.623 20 0 CCADLP Cc1[nH]cc(CN2CC([N@@H+](C)[C@@H]3CCOC3)C2)[nH+]1 ZINC001232463798 805941180 /nfs/dbraw/zinc/94/11/80/805941180.db2.gz NWICANLMCBFKRJ-GFCCVEGCSA-N 2 2 250.346 0.623 20 0 CCADLP Cc1[nH]cc(CN2CC([N@H+](C)[C@@H]3CCOC3)C2)[nH+]1 ZINC001232463798 805941181 /nfs/dbraw/zinc/94/11/81/805941181.db2.gz NWICANLMCBFKRJ-GFCCVEGCSA-N 2 2 250.346 0.623 20 0 CCADLP Nc1cccc(CN2CCN(CC[NH+]3CCCC3)CC2)[nH+]1 ZINC001233371881 806050591 /nfs/dbraw/zinc/05/05/91/806050591.db2.gz MKOMCFQVWSKTFQ-UHFFFAOYSA-N 2 2 289.427 0.877 20 0 CCADLP Nc1cccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)n1 ZINC001233371881 806050601 /nfs/dbraw/zinc/05/06/01/806050601.db2.gz MKOMCFQVWSKTFQ-UHFFFAOYSA-N 2 2 289.427 0.877 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+]CC1CC1 ZINC001266989730 791425319 /nfs/dbraw/zinc/42/53/19/791425319.db2.gz JUCALAWVXMMPPE-SECBINFHSA-N 2 2 250.346 0.765 20 0 CCADLP CC(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001277832871 806187110 /nfs/dbraw/zinc/18/71/10/806187110.db2.gz XCHKCENWHJRZFK-HUUCEWRRSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001277832871 806187113 /nfs/dbraw/zinc/18/71/13/806187113.db2.gz XCHKCENWHJRZFK-HUUCEWRRSA-N 2 2 297.443 0.944 20 0 CCADLP C[NH+](C)CCN1CCO[C@H]2C[N@H+](CC(=O)C(C)(C)C)C[C@H]21 ZINC001277848059 806226746 /nfs/dbraw/zinc/22/67/46/806226746.db2.gz QFELKDTUNRZIRX-KGLIPLIRSA-N 2 2 297.443 0.548 20 0 CCADLP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](CC(=O)C(C)(C)C)C[C@H]21 ZINC001277848059 806226750 /nfs/dbraw/zinc/22/67/50/806226750.db2.gz QFELKDTUNRZIRX-KGLIPLIRSA-N 2 2 297.443 0.548 20 0 CCADLP c1cc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc(-c2nn[nH]n2)c1 ZINC001235053859 806355909 /nfs/dbraw/zinc/35/59/09/806355909.db2.gz LTLKNXRSTJTEPB-OAHLLOKOSA-N 2 2 299.382 0.004 20 0 CCADLP c1cc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc(-c2nn[nH]n2)c1 ZINC001235053859 806355919 /nfs/dbraw/zinc/35/59/19/806355919.db2.gz LTLKNXRSTJTEPB-OAHLLOKOSA-N 2 2 299.382 0.004 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235233425 806391948 /nfs/dbraw/zinc/39/19/48/806391948.db2.gz PULKTMCLEVDTJJ-HUUCEWRRSA-N 3 2 267.417 0.829 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1C[C@@H]2[C@H](CC(=O)NCc3ccco3)[C@@H]2C1 ZINC001235606846 806471183 /nfs/dbraw/zinc/47/11/83/806471183.db2.gz IPIIIHKBPXZVGW-DEQVHRJGSA-N 2 2 277.368 0.811 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1C[C@@H]2[C@H](CC(=O)NCc3ccco3)[C@@H]2C1 ZINC001235606846 806471187 /nfs/dbraw/zinc/47/11/87/806471187.db2.gz IPIIIHKBPXZVGW-DEQVHRJGSA-N 2 2 277.368 0.811 20 0 CCADLP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235990897 806522141 /nfs/dbraw/zinc/52/21/41/806522141.db2.gz DUTHWCYLBWROPQ-GCFWVWJCSA-N 3 2 289.370 0.383 20 0 CCADLP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235990897 806522152 /nfs/dbraw/zinc/52/21/52/806522152.db2.gz DUTHWCYLBWROPQ-GCFWVWJCSA-N 3 2 289.370 0.383 20 0 CCADLP C[C@H]1CNCC(F)(F)[C@H]1C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235990897 806522160 /nfs/dbraw/zinc/52/21/60/806522160.db2.gz DUTHWCYLBWROPQ-GCFWVWJCSA-N 2 2 289.370 0.383 20 0 CCADLP C[C@H]1CNCC(F)(F)[C@H]1C[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235990897 806522169 /nfs/dbraw/zinc/52/21/69/806522169.db2.gz DUTHWCYLBWROPQ-GCFWVWJCSA-N 2 2 289.370 0.383 20 0 CCADLP COc1cnccc1C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235992885 806524481 /nfs/dbraw/zinc/52/44/81/806524481.db2.gz NVLXHJJMPFOUBF-ONXXMXGDSA-N 2 2 263.341 0.496 20 0 CCADLP COc1cnccc1C[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235992885 806524487 /nfs/dbraw/zinc/52/44/87/806524487.db2.gz NVLXHJJMPFOUBF-ONXXMXGDSA-N 2 2 263.341 0.496 20 0 CCADLP COc1c(O)cccc1C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001236000601 806526707 /nfs/dbraw/zinc/52/67/07/806526707.db2.gz YLNQTNQVGVEYJP-ONXXMXGDSA-N 2 2 278.352 0.806 20 0 CCADLP COc1c(O)cccc1C[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001236000601 806526709 /nfs/dbraw/zinc/52/67/09/806526709.db2.gz YLNQTNQVGVEYJP-ONXXMXGDSA-N 2 2 278.352 0.806 20 0 CCADLP CCOC(=O)[C@]12C[N@H+](Cc3c[nH]nc3C)C[C@H]1C[NH2+]CC2 ZINC001236039498 806533910 /nfs/dbraw/zinc/53/39/10/806533910.db2.gz WFQWJKVNCQPMJV-UKRRQHHQSA-N 2 2 292.383 0.693 20 0 CCADLP CCOC(=O)[C@]12C[N@@H+](Cc3c[nH]nc3C)C[C@H]1C[NH2+]CC2 ZINC001236039498 806533916 /nfs/dbraw/zinc/53/39/16/806533916.db2.gz WFQWJKVNCQPMJV-UKRRQHHQSA-N 2 2 292.383 0.693 20 0 CCADLP CCOC(=O)[C@]12C[N@H+](CCC[NH2+]C)C[C@H]1C[NH2+]CC2 ZINC001236039164 806534470 /nfs/dbraw/zinc/53/44/70/806534470.db2.gz XMKDTBWZTFEWKI-TZMCWYRMSA-N 3 2 269.389 0.071 20 0 CCADLP CCOC(=O)[C@]12C[N@@H+](CCC[NH2+]C)C[C@H]1C[NH2+]CC2 ZINC001236039164 806534476 /nfs/dbraw/zinc/53/44/76/806534476.db2.gz XMKDTBWZTFEWKI-TZMCWYRMSA-N 3 2 269.389 0.071 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC[C@@]3(CCC(=O)O3)C2)O1 ZINC001236157428 806544833 /nfs/dbraw/zinc/54/48/33/806544833.db2.gz HNSBAXDVHRBMDA-SMDDNHRTSA-N 2 2 268.357 0.883 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC[C@@]3(CCC(=O)O3)C2)O1 ZINC001236157428 806544837 /nfs/dbraw/zinc/54/48/37/806544837.db2.gz HNSBAXDVHRBMDA-SMDDNHRTSA-N 2 2 268.357 0.883 20 0 CCADLP C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001236242872 806556083 /nfs/dbraw/zinc/55/60/83/806556083.db2.gz KWLOYJZZNUGHHP-WDEREUQCSA-N 2 2 277.368 0.529 20 0 CCADLP C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@H+]1CCC[C@@H]1C[NH3+] ZINC001236242872 806556090 /nfs/dbraw/zinc/55/60/90/806556090.db2.gz KWLOYJZZNUGHHP-WDEREUQCSA-N 2 2 277.368 0.529 20 0 CCADLP Cc1cccc(C[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001236308621 806567180 /nfs/dbraw/zinc/56/71/80/806567180.db2.gz GORONEQAXABNKJ-UHFFFAOYSA-N 3 2 292.427 0.611 20 0 CCADLP Cc1cccc(C[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])c1 ZINC001236308621 806567184 /nfs/dbraw/zinc/56/71/84/806567184.db2.gz GORONEQAXABNKJ-UHFFFAOYSA-N 3 2 292.427 0.611 20 0 CCADLP COCC[N@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC001236336530 806567925 /nfs/dbraw/zinc/56/79/25/806567925.db2.gz YXCROHUSABYMFO-KGLIPLIRSA-N 3 2 255.406 0.686 20 0 CCADLP COCC[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC001236336530 806567930 /nfs/dbraw/zinc/56/79/30/806567930.db2.gz YXCROHUSABYMFO-KGLIPLIRSA-N 3 2 255.406 0.686 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](C(=O)OC)CC2)C[C@H]1[NH3+] ZINC001236340834 806571094 /nfs/dbraw/zinc/57/10/94/806571094.db2.gz JZJLYEZWTXSRFO-FDYHWXHSSA-N 2 2 298.383 0.398 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](C(=O)OC)CC2)C[C@H]1[NH3+] ZINC001236340834 806571099 /nfs/dbraw/zinc/57/10/99/806571099.db2.gz JZJLYEZWTXSRFO-FDYHWXHSSA-N 2 2 298.383 0.398 20 0 CCADLP CCn1c[nH+]cc1CN1CC([N@H+](C)[C@H]2CCOC2)C1 ZINC001237594515 806692626 /nfs/dbraw/zinc/69/26/26/806692626.db2.gz UKBICVDFXBGULL-LBPRGKRZSA-N 2 2 264.373 0.808 20 0 CCADLP CCn1c[nH+]cc1CN1CC([N@@H+](C)[C@H]2CCOC2)C1 ZINC001237594515 806692631 /nfs/dbraw/zinc/69/26/31/806692631.db2.gz UKBICVDFXBGULL-LBPRGKRZSA-N 2 2 264.373 0.808 20 0 CCADLP CCn1c[nH+]cc1CN1CCOC[C@H]1C[NH+](C)C ZINC001237597389 806692822 /nfs/dbraw/zinc/69/28/22/806692822.db2.gz OVTAHEYLNFNENN-CYBMUJFWSA-N 2 2 252.362 0.665 20 0 CCADLP OC/C=C\C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001120583900 798877820 /nfs/dbraw/zinc/87/78/20/798877820.db2.gz SYMYNDZZIBMOKB-AWFCHZOYSA-N 2 2 276.380 0.762 20 0 CCADLP OC/C=C\C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001120583900 798877825 /nfs/dbraw/zinc/87/78/25/798877825.db2.gz SYMYNDZZIBMOKB-AWFCHZOYSA-N 2 2 276.380 0.762 20 0 CCADLP CC[NH+]1CCN([C@@H](C)CNc2cc(N)[nH+]cn2)CC1 ZINC001120804663 798940750 /nfs/dbraw/zinc/94/07/50/798940750.db2.gz NXIDVTBOUZSCFI-NSHDSACASA-N 2 2 264.377 0.497 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC001122123181 799149149 /nfs/dbraw/zinc/14/91/49/799149149.db2.gz PEDARGUFDHFIRE-OSMZGAPFSA-N 2 2 262.357 0.989 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC001122123181 799149152 /nfs/dbraw/zinc/14/91/52/799149152.db2.gz PEDARGUFDHFIRE-OSMZGAPFSA-N 2 2 262.357 0.989 20 0 CCADLP C[C@@H](C(=O)NCCCCCN1CC[NH2+]CC1)n1cc[nH+]c1 ZINC001122195582 799166892 /nfs/dbraw/zinc/16/68/92/799166892.db2.gz JTNMOWSCHZZQHN-AWEZNQCLSA-N 2 2 293.415 0.636 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC001122254554 799180495 /nfs/dbraw/zinc/18/04/95/799180495.db2.gz OWRMKJWQPBNOOU-OCCSQVGLSA-N 2 2 269.389 0.213 20 0 CCADLP C[NH+](C)[C@H](C(=O)N1CCNCC[NH2+]CC1)c1ccccc1 ZINC001122287714 799187358 /nfs/dbraw/zinc/18/73/58/799187358.db2.gz GXINOGIUYDXHGU-HNNXBMFYSA-N 2 2 290.411 0.311 20 0 CCADLP COCC[NH2+]CC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001122601633 799273289 /nfs/dbraw/zinc/27/32/89/799273289.db2.gz IFWBYIHTDZIKBD-UHFFFAOYSA-N 2 2 280.372 0.362 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc[n+]([O-])c1 ZINC001123442017 799411320 /nfs/dbraw/zinc/41/13/20/799411320.db2.gz HMSSGPRGJCBDFX-UHFFFAOYSA-N 2 2 295.387 0.325 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc[n+]([O-])c1 ZINC001123442017 799411324 /nfs/dbraw/zinc/41/13/24/799411324.db2.gz HMSSGPRGJCBDFX-UHFFFAOYSA-N 2 2 295.387 0.325 20 0 CCADLP Cc1noc([C@H](C)[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001124867698 799641508 /nfs/dbraw/zinc/64/15/08/799641508.db2.gz YAQCMQWUFZTXHJ-GXSJLCMTSA-N 2 2 281.360 0.239 20 0 CCADLP Cc1noc([C@H](C)[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001124867698 799641513 /nfs/dbraw/zinc/64/15/13/799641513.db2.gz YAQCMQWUFZTXHJ-GXSJLCMTSA-N 2 2 281.360 0.239 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C)c1ncccn1 ZINC001124879830 799643639 /nfs/dbraw/zinc/64/36/39/799643639.db2.gz ZZJKWZDVCDBOTA-NWDGAFQWSA-N 2 2 277.372 0.338 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C)c1ncccn1 ZINC001124879830 799643648 /nfs/dbraw/zinc/64/36/48/799643648.db2.gz ZZJKWZDVCDBOTA-NWDGAFQWSA-N 2 2 277.372 0.338 20 0 CCADLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(F)nc1 ZINC001137741670 799685746 /nfs/dbraw/zinc/68/57/46/799685746.db2.gz OJBQYYMHHHKYEY-UHFFFAOYSA-N 2 2 266.364 0.900 20 0 CCADLP C[NH+]1CCN(C2C[NH+](Cc3ccc4nonc4c3)C2)CC1 ZINC001139223347 799792369 /nfs/dbraw/zinc/79/23/69/799792369.db2.gz KLOMTOIAOFELAG-UHFFFAOYSA-N 2 2 287.367 0.654 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[C@H]([NH2+]CCO)C12CCC2 ZINC001203015033 799888930 /nfs/dbraw/zinc/88/89/30/799888930.db2.gz UBLRUYFSVZBSCR-QWHCGFSZSA-N 2 2 292.383 0.352 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[C@H]([NH2+]CCO)C12CCC2 ZINC001203015033 799888944 /nfs/dbraw/zinc/88/89/44/799888944.db2.gz UBLRUYFSVZBSCR-QWHCGFSZSA-N 2 2 292.383 0.352 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](Cc2ccc(CO)o2)CCC1=O ZINC001140682703 799929254 /nfs/dbraw/zinc/92/92/54/799929254.db2.gz HTCVPDQENLSUTE-UHFFFAOYSA-N 2 2 295.383 0.368 20 0 CCADLP O=C(N[C@H]1Cc2c[nH+]cn2C1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001141241130 799994441 /nfs/dbraw/zinc/99/44/41/799994441.db2.gz WDHAUTSPVBJEGH-LBPRGKRZSA-N 2 2 294.318 0.819 20 0 CCADLP C[NH+]1CC(NC(=O)C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC001142347981 800117602 /nfs/dbraw/zinc/11/76/02/800117602.db2.gz KYEIAQGYXPQUHI-UHFFFAOYSA-N 2 2 288.395 0.724 20 0 CCADLP [NH3+]CC[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1F ZINC001238838238 806813073 /nfs/dbraw/zinc/81/30/73/806813073.db2.gz GTMQYMQBTBNTBR-UHFFFAOYSA-N 2 2 295.767 0.306 20 0 CCADLP COC[C@@H](C)[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149570879 800276975 /nfs/dbraw/zinc/27/69/75/800276975.db2.gz DNNQQPQUDLCNLU-LLVKDONJSA-N 2 2 268.361 0.093 20 0 CCADLP CC[N@@H+]1CCCO[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001149632802 800285592 /nfs/dbraw/zinc/28/55/92/800285592.db2.gz VTCSLKLSDAWAHC-LBPRGKRZSA-N 2 2 280.372 0.569 20 0 CCADLP CC[N@H+]1CCCO[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001149632802 800285594 /nfs/dbraw/zinc/28/55/94/800285594.db2.gz VTCSLKLSDAWAHC-LBPRGKRZSA-N 2 2 280.372 0.569 20 0 CCADLP CC(C)C[N@@H+]1CCCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150499277 800342069 /nfs/dbraw/zinc/34/20/69/800342069.db2.gz UIOHYORLEIIAQI-CYBMUJFWSA-N 2 2 294.399 0.815 20 0 CCADLP CC(C)C[N@H+]1CCCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150499277 800342077 /nfs/dbraw/zinc/34/20/77/800342077.db2.gz UIOHYORLEIIAQI-CYBMUJFWSA-N 2 2 294.399 0.815 20 0 CCADLP CC(C)C[N@@H+]1CCCO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150499278 800343272 /nfs/dbraw/zinc/34/32/72/800343272.db2.gz UIOHYORLEIIAQI-ZDUSSCGKSA-N 2 2 294.399 0.815 20 0 CCADLP CC(C)C[N@H+]1CCCO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150499278 800343275 /nfs/dbraw/zinc/34/32/75/800343275.db2.gz UIOHYORLEIIAQI-ZDUSSCGKSA-N 2 2 294.399 0.815 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001151049555 800388909 /nfs/dbraw/zinc/38/89/09/800388909.db2.gz RSHYKJADTKQRKF-LLVKDONJSA-N 2 2 280.372 0.395 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001151049555 800388914 /nfs/dbraw/zinc/38/89/14/800388914.db2.gz RSHYKJADTKQRKF-LLVKDONJSA-N 2 2 280.372 0.395 20 0 CCADLP CC[NH+]1CCC(CCOC)(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001151374891 800419952 /nfs/dbraw/zinc/41/99/52/800419952.db2.gz PUAFPTGGFZJXJI-UHFFFAOYSA-N 2 2 294.399 0.959 20 0 CCADLP CCC[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001151815047 800461570 /nfs/dbraw/zinc/46/15/70/800461570.db2.gz PMMWPGZNFJOEMY-ZDUSSCGKSA-N 2 2 269.389 0.213 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NCC[NH2+]Cc1csnn1 ZINC001152439426 800520931 /nfs/dbraw/zinc/52/09/31/800520931.db2.gz LSTFNRJUVOWILB-UHFFFAOYSA-N 2 2 271.390 0.084 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]Cc1csnn1 ZINC001152439426 800520937 /nfs/dbraw/zinc/52/09/37/800520937.db2.gz LSTFNRJUVOWILB-UHFFFAOYSA-N 2 2 271.390 0.084 20 0 CCADLP CC[C@@H](C[NH2+]CCNC(=O)Cn1cc[nH+]c1)OC ZINC001153496345 800635223 /nfs/dbraw/zinc/63/52/23/800635223.db2.gz ZSDISOHJPBBLST-NSHDSACASA-N 2 2 254.334 0.014 20 0 CCADLP C[NH+]1CCN(c2cccc(NCC3COC3)[nH+]2)CC1 ZINC001154633640 800817708 /nfs/dbraw/zinc/81/77/08/800817708.db2.gz CQLPCYNZCBCEAB-UHFFFAOYSA-N 2 2 262.357 0.892 20 0 CCADLP CCCc1cc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)nc(C)[nH+]1 ZINC001155575550 801012222 /nfs/dbraw/zinc/01/22/22/801012222.db2.gz MFFZEISBJPYRKZ-FZMZJTMJSA-N 2 2 275.356 0.728 20 0 CCADLP CC[N@H+](CCOC)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156383220 801159563 /nfs/dbraw/zinc/15/95/63/801159563.db2.gz IJPXMOUWKMYZAW-GFCCVEGCSA-N 2 2 282.388 0.436 20 0 CCADLP CC[N@@H+](CCOC)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156383220 801159564 /nfs/dbraw/zinc/15/95/64/801159564.db2.gz IJPXMOUWKMYZAW-GFCCVEGCSA-N 2 2 282.388 0.436 20 0 CCADLP CN1CC[C@@H](Nc2cccc(N3CC[NH+](C)CC3)[nH+]2)C1=O ZINC001156506807 801177533 /nfs/dbraw/zinc/17/75/33/801177533.db2.gz FUJRMQIPFTYCID-GFCCVEGCSA-N 2 2 289.383 0.476 20 0 CCADLP CC(C)[C@@](C)(Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)C(N)=O ZINC001156652114 801207411 /nfs/dbraw/zinc/20/74/11/801207411.db2.gz VASLRPPOBRAZSW-OAHLLOKOSA-N 2 2 291.399 0.803 20 0 CCADLP C[NH+](C)C1CN(C(=O)c2ccc3[nH+]c(N)[nH]c3c2)C1 ZINC001156964899 801273693 /nfs/dbraw/zinc/27/36/93/801273693.db2.gz RAHHTRPYNMKGQK-UHFFFAOYSA-N 2 2 259.313 0.531 20 0 CCADLP Cn1cc[nH+]c1CCNC(=O)[C@H]1CC[NH2+]C[C@H]1F ZINC001157421260 801376853 /nfs/dbraw/zinc/37/68/53/801376853.db2.gz FSSXZLMFHBJGDJ-VHSXEESVSA-N 2 2 254.309 0.026 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CC(N3CC(F)C3)C2)cc1 ZINC001157527766 801406928 /nfs/dbraw/zinc/40/69/28/801406928.db2.gz QCCPVYWXRTVEJY-AWEZNQCLSA-N 2 2 292.358 0.123 20 0 CCADLP C[C@@H]1CCN(C(=O)[C@@]2(C)CC(F)(F)C[NH2+]2)C[C@@H]1[NH3+] ZINC001157798577 801487669 /nfs/dbraw/zinc/48/76/69/801487669.db2.gz FGTARVGGMHAUNO-WCABBAIRSA-N 2 2 261.316 0.569 20 0 CCADLP C[C@H]1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CCC1(F)F ZINC001157846044 801501224 /nfs/dbraw/zinc/50/12/24/801501224.db2.gz FXLMNZFUOVTCCS-FIQHERPVSA-N 2 2 287.354 0.830 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@@](CF)(C(F)(F)F)C1 ZINC001157889543 801510227 /nfs/dbraw/zinc/51/02/27/801510227.db2.gz LJOMFSMEGHFVCQ-NRPADANISA-N 2 2 283.269 0.284 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cncc(N3CCCC3)n2)CC1 ZINC001157915612 801520062 /nfs/dbraw/zinc/52/00/62/801520062.db2.gz TYCTYPYMJRZXFQ-UHFFFAOYSA-N 2 2 289.387 0.671 20 0 CCADLP COc1cnnc(Cl)c1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001157915861 801520246 /nfs/dbraw/zinc/52/02/46/801520246.db2.gz YCCVZSAOOOGEOM-UHFFFAOYSA-N 2 2 284.751 0.733 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ncc3c(n2)CCCC3)CC1 ZINC001157915618 801521447 /nfs/dbraw/zinc/52/14/47/801521447.db2.gz BPLWGAPTZYVVPD-UHFFFAOYSA-N 2 2 274.372 0.949 20 0 CCADLP C[NH+](C)Cc1ccnc(NC(=[NH2+])N2CC[NH+](C)CC2)c1 ZINC001157916188 801521545 /nfs/dbraw/zinc/52/15/45/801521545.db2.gz NEAVAZBNEIKAMV-UHFFFAOYSA-N 3 2 276.388 0.737 20 0 CCADLP C[C@]1(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)COCC[NH2+]1 ZINC001157970558 801543765 /nfs/dbraw/zinc/54/37/65/801543765.db2.gz QXGYPBQCGXDTMI-GDBMZVCRSA-N 2 2 289.379 0.538 20 0 CCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]([NH3+])CC(C)C ZINC001158000184 801552146 /nfs/dbraw/zinc/55/21/46/801552146.db2.gz WNSMECWPGSYBJW-RYUDHWBXSA-N 2 2 285.388 0.113 20 0 CCADLP Cc1cccc2ncnc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)c12 ZINC001158206247 801593902 /nfs/dbraw/zinc/59/39/02/801593902.db2.gz FWEOTNSKVZCHHG-LLVKDONJSA-N 2 2 283.335 0.986 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc(-c2ccncc2)nn1 ZINC001158208966 801595717 /nfs/dbraw/zinc/59/57/17/801595717.db2.gz BIFNFQXMSGSJAD-GFCCVEGCSA-N 2 2 296.334 0.586 20 0 CCADLP NC(=O)c1ccnc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)c1 ZINC001158258671 801608582 /nfs/dbraw/zinc/60/85/82/801608582.db2.gz GETNSPGPKUIHJB-GFCCVEGCSA-N 2 2 289.383 0.182 20 0 CCADLP NC(=O)c1ccnc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)c1 ZINC001158258671 801608588 /nfs/dbraw/zinc/60/85/88/801608588.db2.gz GETNSPGPKUIHJB-GFCCVEGCSA-N 2 2 289.383 0.182 20 0 CCADLP c1nc(N2CCOCC2)cc(N2CC3(C2)CCC[NH2+]C3)[nH+]1 ZINC001159020090 801741228 /nfs/dbraw/zinc/74/12/28/801741228.db2.gz STJMIXTVFCFOIX-UHFFFAOYSA-N 2 2 289.383 0.503 20 0 CCADLP c1nc(N2CC3(C2)CCC[NH2+]C3)cc(N2CCOCC2)[nH+]1 ZINC001159020090 801741235 /nfs/dbraw/zinc/74/12/35/801741235.db2.gz STJMIXTVFCFOIX-UHFFFAOYSA-N 2 2 289.383 0.503 20 0 CCADLP CN(c1cc(N2CCOCC2)[nH+]cn1)C(C)(C)C[NH3+] ZINC001159051819 801751671 /nfs/dbraw/zinc/75/16/71/801751671.db2.gz SSLYAGPUQYEZKS-UHFFFAOYSA-N 2 2 265.361 0.487 20 0 CCADLP Cc1c[nH+]c2n1CCC21CCN(C(=O)C[C@@H](O)C[NH3+])CC1 ZINC001159381523 801799439 /nfs/dbraw/zinc/79/94/39/801799439.db2.gz AQJIOOVKLHBPOC-GFCCVEGCSA-N 2 2 292.383 0.165 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCn2cccc2C1 ZINC001160476694 801947705 /nfs/dbraw/zinc/94/77/05/801947705.db2.gz KPBOIABPMFKSHR-ZDUSSCGKSA-N 2 2 273.340 0.134 20 0 CCADLP COc1nc(Cl)nc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)n1 ZINC001160512457 801956597 /nfs/dbraw/zinc/95/65/97/801956597.db2.gz VQZDUQPUKFCQIU-GFCCVEGCSA-N 2 2 298.778 0.369 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCO[C@H](c3ccccc3)C2)C1 ZINC001160531284 801962720 /nfs/dbraw/zinc/96/27/20/801962720.db2.gz YGAQWROLFJJXIW-RDBSUJKOSA-N 2 2 275.352 0.276 20 0 CCADLP [NH3+]C1(C(=O)N2CCc3ncccc3C2)CC[NH2+]CC1 ZINC001160548574 801967910 /nfs/dbraw/zinc/96/79/10/801967910.db2.gz JCFHREKOXGUSJN-UHFFFAOYSA-N 2 2 260.341 0.047 20 0 CCADLP Cn1cc2c(n1)CCN(C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)C2 ZINC001160558983 801969438 /nfs/dbraw/zinc/96/94/38/801969438.db2.gz YIJXGIHDRUZWLM-AWEZNQCLSA-N 2 2 299.378 0.577 20 0 CCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC001160689194 802001458 /nfs/dbraw/zinc/00/14/58/802001458.db2.gz JLYPBZHINCGZHK-MROQNXINSA-N 2 2 289.383 0.066 20 0 CCADLP CN(C[C@H]1CC1(C)C)C(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001160710027 802008113 /nfs/dbraw/zinc/00/81/13/802008113.db2.gz KKFPJFZFUYKQFO-DGCLKSJQSA-N 2 2 282.432 0.241 20 0 CCADLP c1nc(N[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)nc2c1C[NH2+]C2 ZINC001160724841 802011487 /nfs/dbraw/zinc/01/14/87/802011487.db2.gz REMBXGPODJDUQR-OCCSQVGLSA-N 2 2 289.383 0.745 20 0 CCADLP CCN(CC(C)(C)O)C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001160756024 802015751 /nfs/dbraw/zinc/01/57/51/802015751.db2.gz YZRCCOZDPYIZGV-ZDUSSCGKSA-N 2 2 279.384 0.878 20 0 CCADLP COC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160909559 802046199 /nfs/dbraw/zinc/04/61/99/802046199.db2.gz YVTMREVLQRDQOM-YYBQKPNHSA-N 2 2 279.384 0.106 20 0 CCADLP [NH3+]C1(C(=O)N2CCOC[C@@H]2c2cccnc2)CC[NH2+]CC1 ZINC001160951132 802052638 /nfs/dbraw/zinc/05/26/38/802052638.db2.gz JXOHRQLTLSIQQT-CYBMUJFWSA-N 2 2 290.367 0.062 20 0 CCADLP Cc1c[nH+]c(NCCN2CC[NH2+]CC2=O)nc1NC(C)C ZINC001161019391 802064573 /nfs/dbraw/zinc/06/45/73/802064573.db2.gz OGXUEACJNIZVFY-UHFFFAOYSA-N 2 2 292.387 0.449 20 0 CCADLP CN(C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)[C@H]1CCCC[C@H]1[NH3+] ZINC001161057775 802077645 /nfs/dbraw/zinc/07/76/45/802077645.db2.gz GCXTZGRNUFXMKI-UTUOFQBUSA-N 3 2 265.361 0.008 20 0 CCADLP CN(Cc1cncs1)C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161065226 802081057 /nfs/dbraw/zinc/08/10/57/802081057.db2.gz PXDRBJXKGXVHPB-CABZTGNLSA-N 2 2 266.370 0.053 20 0 CCADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)C23CCC([NH3+])(CC2)CC3)C1 ZINC001161139539 802099525 /nfs/dbraw/zinc/09/95/25/802099525.db2.gz WXSSVKHJVKNYLK-YMAMQOFZSA-N 2 2 295.383 0.141 20 0 CCADLP CCN(C(=O)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1)C1C[NH+](C)C1 ZINC001161138064 802100181 /nfs/dbraw/zinc/10/01/81/802100181.db2.gz MFCYQSBETJSZFF-ZIAGYGMSSA-N 2 2 294.443 0.223 20 0 CCADLP CO[C@H](C)C[NH2+]CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001161215777 802108460 /nfs/dbraw/zinc/10/84/60/802108460.db2.gz ZTDNXRYCAMXVEU-CHWSQXEVSA-N 2 2 294.399 0.576 20 0 CCADLP C[C@H]1CN(C(=O)[C@@]2(C)CC(F)(F)C[NH2+]2)C[C@H](C)[NH2+]1 ZINC001161229083 802111778 /nfs/dbraw/zinc/11/17/78/802111778.db2.gz BXRQCANRUAVEPG-ATZCPNFKSA-N 2 2 261.316 0.583 20 0 CCADLP O=C(NCCC[NH2+]CCF)[C@@H]1CCc2c[nH+]cn2C1 ZINC001161314471 802124049 /nfs/dbraw/zinc/12/40/49/802124049.db2.gz ACSKHFWKGHCXNB-LLVKDONJSA-N 2 2 268.336 0.511 20 0 CCADLP COCCC[NH2+]CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001161315280 802125225 /nfs/dbraw/zinc/12/52/25/802125225.db2.gz PAYLRWTWUISLNW-ZDUSSCGKSA-N 2 2 294.399 0.578 20 0 CCADLP c1cn(CCCNc2ncnc3c2C[NH2+]CC3)c[nH+]1 ZINC001161681284 802198770 /nfs/dbraw/zinc/19/87/70/802198770.db2.gz OYJPTRHTJFJMTD-UHFFFAOYSA-N 2 2 258.329 0.821 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)[C@H](C)n2cc[nH+]c2)CC1 ZINC000056968715 802222737 /nfs/dbraw/zinc/22/27/37/802222737.db2.gz WPXGRFRFTPJMTI-LBPRGKRZSA-N 2 2 250.346 0.997 20 0 CCADLP COC(=O)c1cc(F)cnc1NCC[NH+]1CCC([NH3+])CC1 ZINC001161866969 802233710 /nfs/dbraw/zinc/23/37/10/802233710.db2.gz HSVRPFTZCUIOFQ-UHFFFAOYSA-N 2 2 296.346 0.842 20 0 CCADLP CCOC(=O)[C@H]([NH3+])CNc1ccc(C[N@H+](C)C2CC2)cn1 ZINC001161949785 802254974 /nfs/dbraw/zinc/25/49/74/802254974.db2.gz JHBVGNNQVAIYFY-CYBMUJFWSA-N 2 2 292.383 0.978 20 0 CCADLP CCOC(=O)[C@H]([NH3+])CNc1ccc(C[N@@H+](C)C2CC2)cn1 ZINC001161949785 802254978 /nfs/dbraw/zinc/25/49/78/802254978.db2.gz JHBVGNNQVAIYFY-CYBMUJFWSA-N 2 2 292.383 0.978 20 0 CCADLP C[C@H](O)C[N@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001161990039 802263973 /nfs/dbraw/zinc/26/39/73/802263973.db2.gz YRHZWLOIDPGEIB-ZDUSSCGKSA-N 2 2 292.383 0.402 20 0 CCADLP C[C@H](O)C[N@@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001161990039 802263977 /nfs/dbraw/zinc/26/39/77/802263977.db2.gz YRHZWLOIDPGEIB-ZDUSSCGKSA-N 2 2 292.383 0.402 20 0 CCADLP COC(=[NH2+])c1cccc(N(CC[NH3+])S(C)(=O)=O)c1 ZINC001162131231 802281645 /nfs/dbraw/zinc/28/16/45/802281645.db2.gz QMBOYWOKAQQRPQ-UHFFFAOYSA-N 2 2 271.342 0.383 20 0 CCADLP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCO[C@@H](C[NH3+])C1)C2 ZINC001255182257 808326627 /nfs/dbraw/zinc/32/66/27/808326627.db2.gz DOBZLQYOOMDTFU-CRWXNKLISA-N 2 2 297.399 0.798 20 0 CCADLP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCO[C@@H](C[NH3+])C1)C2 ZINC001255182257 808326630 /nfs/dbraw/zinc/32/66/30/808326630.db2.gz DOBZLQYOOMDTFU-CRWXNKLISA-N 2 2 297.399 0.798 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCC[NH2+]Cc1ccccn1 ZINC001163588228 802573456 /nfs/dbraw/zinc/57/34/56/802573456.db2.gz FXXAHRJWOZFBLA-UHFFFAOYSA-N 2 2 287.367 0.964 20 0 CCADLP O[C@@H]1CN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)C[C@@H]1F ZINC001164105947 802667689 /nfs/dbraw/zinc/66/76/89/802667689.db2.gz VPUGCCOKBZAYGT-NWDGAFQWSA-N 2 2 266.320 0.010 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Nc2cn3cc[nH+]c3cc2C)C[NH2+]1 ZINC001164308518 802717253 /nfs/dbraw/zinc/71/72/53/802717253.db2.gz NQBFAYCIWLDGIL-QWRGUYRKSA-N 2 2 274.324 0.958 20 0 CCADLP [NH3+][C@H]1CN(c2cc(N3CCOCC3)[nH+]cn2)CCC1(F)F ZINC001164319944 802722347 /nfs/dbraw/zinc/72/23/47/802722347.db2.gz UIVHKWRVVROTQD-JTQLQIEISA-N 2 2 299.325 0.486 20 0 CCADLP Cc1nc(-n2cncn2)cc(N2C[C@H](C[NH3+])CC[C@@H]2C)[nH+]1 ZINC001164474651 802746337 /nfs/dbraw/zinc/74/63/37/802746337.db2.gz SUCNWUSITIDWLQ-JQWIXIFHSA-N 2 2 287.371 0.929 20 0 CCADLP C[C@]1(O)CCN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC001165229654 802800263 /nfs/dbraw/zinc/80/02/63/802800263.db2.gz QWKVKOPCKXEKED-AWEZNQCLSA-N 2 2 262.357 0.452 20 0 CCADLP Cc1[nH+]c2c(n1-c1ccc(C(=O)N(C)C)cn1)CC[NH2+]CC2 ZINC001165353577 802826517 /nfs/dbraw/zinc/82/65/17/802826517.db2.gz RLRLIPHOUCPITC-UHFFFAOYSA-N 2 2 299.378 0.966 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCCC1(C[NH2+]CCO)CC1 ZINC001165374598 802829631 /nfs/dbraw/zinc/82/96/31/802829631.db2.gz WOHHEJNZELANRV-UHFFFAOYSA-N 2 2 280.372 0.211 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCCC1(C[NH2+]CCO)CC1 ZINC001165374598 802829637 /nfs/dbraw/zinc/82/96/37/802829637.db2.gz WOHHEJNZELANRV-UHFFFAOYSA-N 2 2 280.372 0.211 20 0 CCADLP c1cc(N2CCC[C@@H]3[NH2+]C[C@@H]32)nc(N2CCOCC2)[nH+]1 ZINC001165396055 802835442 /nfs/dbraw/zinc/83/54/42/802835442.db2.gz YKCGFSJHCJXUBI-RYUDHWBXSA-N 2 2 275.356 0.254 20 0 CCADLP CC(C)C[C@@](C)([NH3+])C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001220571300 811738351 /nfs/dbraw/zinc/73/83/51/811738351.db2.gz OEMHRMVXFBJDRY-CYBMUJFWSA-N 2 2 269.389 0.198 20 0 CCADLP C[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001166408252 802906189 /nfs/dbraw/zinc/90/61/89/802906189.db2.gz MZSBLIYHIZOVBP-GHMZBOCLSA-N 2 2 280.372 0.306 20 0 CCADLP [NH3+][C@H]1CCN(c2ncnc3c2C[NH2+]C3)CC1(F)F ZINC001166961181 802997008 /nfs/dbraw/zinc/99/70/08/802997008.db2.gz NHYYRGDWLMGGNP-VIFPVBQESA-N 2 2 255.272 0.253 20 0 CCADLP COCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001203530338 803032667 /nfs/dbraw/zinc/03/26/67/803032667.db2.gz HKTCYLJSPUBNQY-NWDGAFQWSA-N 2 2 292.383 0.616 20 0 CCADLP COCC[NH2+]CC1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001205118714 803118142 /nfs/dbraw/zinc/11/81/42/803118142.db2.gz AKTVDPQZFQROGA-UHFFFAOYSA-N 2 2 294.399 0.817 20 0 CCADLP COC(=O)c1cnc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cn1 ZINC001205109081 803118412 /nfs/dbraw/zinc/11/84/12/803118412.db2.gz ALQHWYNOLGQKNR-SNVBAGLBSA-N 2 2 264.329 0.576 20 0 CCADLP COC(=O)c1cnc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cn1 ZINC001205109081 803118419 /nfs/dbraw/zinc/11/84/19/803118419.db2.gz ALQHWYNOLGQKNR-SNVBAGLBSA-N 2 2 264.329 0.576 20 0 CCADLP [NH3+]C[C@@H]1CN(CC2=CS[C@H]([NH3+])N2)CCC1(F)F ZINC001205735568 803169556 /nfs/dbraw/zinc/16/95/56/803169556.db2.gz OBQXYEHXVZYQOX-VXNVDRBHSA-N 2 2 264.345 0.322 20 0 CCADLP COC(=O)c1cc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)ccc1OC ZINC001206481720 803252022 /nfs/dbraw/zinc/25/20/22/803252022.db2.gz ZSLWKMYWTKKZFQ-WCQYABFASA-N 2 2 294.351 0.233 20 0 CCADLP COC(=O)c1cc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)ccc1OC ZINC001206481720 803252025 /nfs/dbraw/zinc/25/20/25/803252025.db2.gz ZSLWKMYWTKKZFQ-WCQYABFASA-N 2 2 294.351 0.233 20 0 CCADLP COc1ccc(OC)c(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1N ZINC001206519118 803258843 /nfs/dbraw/zinc/25/88/43/803258843.db2.gz IUFKOAQYJRFTSF-ONGXEEELSA-N 2 2 281.356 0.037 20 0 CCADLP COc1ccc(OC)c(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1N ZINC001206519118 803258848 /nfs/dbraw/zinc/25/88/48/803258848.db2.gz IUFKOAQYJRFTSF-ONGXEEELSA-N 2 2 281.356 0.037 20 0 CCADLP COC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206919355 803306740 /nfs/dbraw/zinc/30/67/40/803306740.db2.gz QOISJXHNNPIXTI-FRRDWIJNSA-N 2 2 294.399 0.814 20 0 CCADLP COC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206919355 803306744 /nfs/dbraw/zinc/30/67/44/803306744.db2.gz QOISJXHNNPIXTI-FRRDWIJNSA-N 2 2 294.399 0.814 20 0 CCADLP C[NH+](C)CCCN1CC[NH+](Cc2cccc(=O)[nH]2)CC1 ZINC001207072438 803345402 /nfs/dbraw/zinc/34/54/02/803345402.db2.gz AVVZQTBBKFDVBA-UHFFFAOYSA-N 2 2 278.400 0.857 20 0 CCADLP C[N@@H+]1CCN(C(=O)C2([NH3+])CC2)[C@@H](c2ccccc2)C1 ZINC000088129620 803448187 /nfs/dbraw/zinc/44/81/87/803448187.db2.gz PXMXMLDHXSWLTB-CYBMUJFWSA-N 2 2 259.353 0.993 20 0 CCADLP C[N@H+]1CCN(C(=O)C2([NH3+])CC2)[C@@H](c2ccccc2)C1 ZINC000088129620 803448189 /nfs/dbraw/zinc/44/81/89/803448189.db2.gz PXMXMLDHXSWLTB-CYBMUJFWSA-N 2 2 259.353 0.993 20 0 CCADLP C[N@@H+]1CCC[C@H](C[NH+]2CCO[C@@]3(CCOC3)C2)C1 ZINC001208608472 803528718 /nfs/dbraw/zinc/52/87/18/803528718.db2.gz TYLOXUINHCPWAG-KBPBESRZSA-N 2 2 254.374 0.820 20 0 CCADLP C[N@H+]1CCC[C@H](C[NH+]2CCO[C@@]3(CCOC3)C2)C1 ZINC001208608472 803528719 /nfs/dbraw/zinc/52/87/19/803528719.db2.gz TYLOXUINHCPWAG-KBPBESRZSA-N 2 2 254.374 0.820 20 0 CCADLP C[NH+]1CCC[C@H](C[N@@H+]2CCO[C@@]3(CCOC3)C2)C1 ZINC001208608472 803528723 /nfs/dbraw/zinc/52/87/23/803528723.db2.gz TYLOXUINHCPWAG-KBPBESRZSA-N 2 2 254.374 0.820 20 0 CCADLP C[NH+]1CCC[C@H](C[N@H+]2CCO[C@@]3(CCOC3)C2)C1 ZINC001208608472 803528726 /nfs/dbraw/zinc/52/87/26/803528726.db2.gz TYLOXUINHCPWAG-KBPBESRZSA-N 2 2 254.374 0.820 20 0 CCADLP COCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001208985060 803562517 /nfs/dbraw/zinc/56/25/17/803562517.db2.gz MKGQEQSBUBNRLL-MGPQQGTHSA-N 2 2 294.399 0.917 20 0 CCADLP COCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001208985060 803562519 /nfs/dbraw/zinc/56/25/19/803562519.db2.gz MKGQEQSBUBNRLL-MGPQQGTHSA-N 2 2 294.399 0.917 20 0 CCADLP C[N@H+](C1COC1)C1CN(CCC[NH+]2CCCCC2)C1 ZINC001209450902 803604974 /nfs/dbraw/zinc/60/49/74/803604974.db2.gz NWEUEEGHTLXVSM-UHFFFAOYSA-N 2 2 267.417 0.877 20 0 CCADLP C[N@@H+](C1COC1)C1CN(CCC[NH+]2CCCCC2)C1 ZINC001209450902 803604979 /nfs/dbraw/zinc/60/49/79/803604979.db2.gz NWEUEEGHTLXVSM-UHFFFAOYSA-N 2 2 267.417 0.877 20 0 CCADLP COc1cc(C[N@H+](C)CCN2CC[NH+](C)CC2)ccn1 ZINC001209640508 803619598 /nfs/dbraw/zinc/61/95/98/803619598.db2.gz DJTGYCFWMCROBK-UHFFFAOYSA-N 2 2 278.400 0.769 20 0 CCADLP COc1cc(C[N@@H+](C)CCN2CC[NH+](C)CC2)ccn1 ZINC001209640508 803619602 /nfs/dbraw/zinc/61/96/02/803619602.db2.gz DJTGYCFWMCROBK-UHFFFAOYSA-N 2 2 278.400 0.769 20 0 CCADLP CCC(=O)NC1CC[NH+](Cc2c[nH+]ccc2N)CC1 ZINC001209734210 803627427 /nfs/dbraw/zinc/62/74/27/803627427.db2.gz ODTQWVQNFOINDP-UHFFFAOYSA-N 2 2 262.357 0.985 20 0 CCADLP COCCC[NH+]1CCC(OCC[NH+]2CCOCC2)CC1 ZINC001210225602 803642374 /nfs/dbraw/zinc/64/23/74/803642374.db2.gz VKQHNVKUKYMCAF-UHFFFAOYSA-N 2 2 286.416 0.836 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001214811703 803759014 /nfs/dbraw/zinc/75/90/14/803759014.db2.gz DTDXCMNOCAEWGB-MBNYWOFBSA-N 2 2 294.399 0.814 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001214811703 803759020 /nfs/dbraw/zinc/75/90/20/803759020.db2.gz DTDXCMNOCAEWGB-MBNYWOFBSA-N 2 2 294.399 0.814 20 0 CCADLP COCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001214811803 803759779 /nfs/dbraw/zinc/75/97/79/803759779.db2.gz IAAPTWFQWDJBOD-DGCLKSJQSA-N 2 2 280.372 0.425 20 0 CCADLP COCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001214811803 803759782 /nfs/dbraw/zinc/75/97/82/803759782.db2.gz IAAPTWFQWDJBOD-DGCLKSJQSA-N 2 2 280.372 0.425 20 0 CCADLP C[C@@H]1C[N@@H+](CCc2nnc([C@H]([NH3+])CCC[NH3+])o2)C[C@H](C)O1 ZINC001217695307 803902401 /nfs/dbraw/zinc/90/24/01/803902401.db2.gz IIEBSVVUALIUKC-GRYCIOLGSA-N 3 2 297.403 0.460 20 0 CCADLP C[C@@H]1C[N@H+](CCc2nnc([C@H]([NH3+])CCC[NH3+])o2)C[C@H](C)O1 ZINC001217695307 803902409 /nfs/dbraw/zinc/90/24/09/803902409.db2.gz IIEBSVVUALIUKC-GRYCIOLGSA-N 3 2 297.403 0.460 20 0 CCADLP Cc1cc(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)n[nH]1 ZINC001218495536 803962911 /nfs/dbraw/zinc/96/29/11/803962911.db2.gz GCVKLDRESGSOHQ-LLVKDONJSA-N 2 2 259.313 0.929 20 0 CCADLP O=C(Nc1cccc2[nH+]ccn21)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001218499057 803966644 /nfs/dbraw/zinc/96/66/44/803966644.db2.gz LSDUSNAOFNUZCG-GARJFASQSA-N 2 2 271.324 0.223 20 0 CCADLP [NH3+]C1(C(=O)Nc2nc(Cl)nc3[nH]cnc32)CC[NH2+]CC1 ZINC001218588663 804024856 /nfs/dbraw/zinc/02/48/56/804024856.db2.gz WVHLBWFXGCHZEO-UHFFFAOYSA-N 2 2 295.734 0.026 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1cnc2n[nH]cc2c1 ZINC001218613992 804033126 /nfs/dbraw/zinc/03/31/26/804033126.db2.gz FVMPWWKABADWOE-NSHDSACASA-N 2 2 285.311 0.200 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cnc2n[nH]cc2c1 ZINC001218615238 804035128 /nfs/dbraw/zinc/03/51/28/804035128.db2.gz VNLNDTYKNOUZGV-SNVBAGLBSA-N 2 2 271.284 0.190 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2c(Cl)cnnc2Cl)C1 ZINC001218653284 804064779 /nfs/dbraw/zinc/06/47/79/804064779.db2.gz VSLWGAOSIHMVNV-XINAWCOVSA-N 2 2 276.127 0.411 20 0 CCADLP CNc1ccc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)cn1 ZINC001218654150 804065274 /nfs/dbraw/zinc/06/52/74/804065274.db2.gz FMHGVIGOAHCHIU-NSHDSACASA-N 2 2 274.328 0.365 20 0 CCADLP COc1ccc(C)nc1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218661558 804071123 /nfs/dbraw/zinc/07/11/23/804071123.db2.gz LLWXDSCMGXYIMR-RULNRJAQSA-N 2 2 276.340 0.559 20 0 CCADLP COc1ccc(C)nc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001218661511 804071344 /nfs/dbraw/zinc/07/13/44/804071344.db2.gz KXCNIWPYLANEAW-NSHDSACASA-N 2 2 289.339 0.641 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cn2c(cccc2Cl)n1 ZINC001218737455 804099655 /nfs/dbraw/zinc/09/96/55/804099655.db2.gz DAWJBPHDKPJLAK-ZETCQYMHSA-N 2 2 267.720 0.602 20 0 CCADLP N[C@@]1(C(=O)Nc2ccn3cc[nH+]c3c2)CCC[NH2+]C1 ZINC001218787195 804119188 /nfs/dbraw/zinc/11/91/88/804119188.db2.gz BFFXZZXTNGCGFP-ZDUSSCGKSA-N 2 2 259.313 0.354 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cnn3cc(F)ccc23)C1 ZINC001218804505 804126108 /nfs/dbraw/zinc/12/61/08/804126108.db2.gz WDFLAZNQFQWMJT-BDAKNGLRSA-N 2 2 263.276 0.101 20 0 CCADLP CCc1ncsc1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218801692 804126152 /nfs/dbraw/zinc/12/61/52/804126152.db2.gz SJECMFAXOSFJLA-UHFFFAOYSA-N 2 2 268.386 0.986 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc2c(c1)OCO2 ZINC001218807610 804128064 /nfs/dbraw/zinc/12/80/64/804128064.db2.gz FMTZPOVBNDTHEH-SNVBAGLBSA-N 2 2 274.280 0.647 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc2nsnc21 ZINC001218807625 804128186 /nfs/dbraw/zinc/12/81/86/804128186.db2.gz GAWOIIZHFBGUHM-BQBZGAKWSA-N 2 2 263.326 0.177 20 0 CCADLP N[C@@]1(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)CC[NH2+]C1 ZINC001218811306 804130549 /nfs/dbraw/zinc/13/05/49/804130549.db2.gz GEWSBGAIIYIMJS-AWEZNQCLSA-N 2 2 271.324 0.502 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccccc1CN1CCCC1=O ZINC001218965401 804166875 /nfs/dbraw/zinc/16/68/75/804166875.db2.gz GZTFJLZUDKVUNI-LBPRGKRZSA-N 2 2 290.367 0.424 20 0 CCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)Nc2ccc([C@@H]3CC[NH2+]C3)cc2)C1 ZINC001218999430 804180033 /nfs/dbraw/zinc/18/00/33/804180033.db2.gz TVMSFYFENIZFGF-DYEKYZERSA-N 3 2 274.368 0.391 20 0 CCADLP COC(=O)c1ccc(N)c(NC(=O)C2([NH3+])CC[NH2+]CC2)c1 ZINC001219146241 804218133 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CC(C)=CC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219550467 804342445 /nfs/dbraw/zinc/34/24/45/804342445.db2.gz AQXZDJJPXUOULH-OLZOCXBDSA-N 2 2 292.383 0.470 20 0 CCADLP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219550467 804342453 /nfs/dbraw/zinc/34/24/53/804342453.db2.gz AQXZDJJPXUOULH-OLZOCXBDSA-N 2 2 292.383 0.470 20 0 CCADLP O=C(NCCn1cc[nH+]c1)[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001219563685 804352418 /nfs/dbraw/zinc/35/24/18/804352418.db2.gz HUPINJANIMFLLO-UONOGXRCSA-N 2 2 291.399 0.073 20 0 CCADLP [NH3+][C@H](Cc1ccccc1F)C(=O)NCCn1cc[nH+]c1 ZINC001219564098 804352805 /nfs/dbraw/zinc/35/28/05/804352805.db2.gz RMDYFCRGWLSUSE-CYBMUJFWSA-N 2 2 276.315 0.708 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H](CNC(=O)CCc2ccc(N)[nH+]c2)C1 ZINC001219650339 804392748 /nfs/dbraw/zinc/39/27/48/804392748.db2.gz OCCAHGGOINGCMG-WCQYABFASA-N 2 2 276.384 0.958 20 0 CCADLP Cc1cc(C)cc(OC[C@H](C)NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c1 ZINC001219712806 804411780 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[NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc2c(c1)CCO2 ZINC001220067488 804493653 /nfs/dbraw/zinc/49/36/53/804493653.db2.gz MUUPLDBHCPLGOQ-ZDUSSCGKSA-N 2 2 286.335 0.531 20 0 CCADLP O=C(NCc1ccc2c(c1)CCO2)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220067338 804493753 /nfs/dbraw/zinc/49/37/53/804493753.db2.gz KEFIRWBHCJJNRJ-BBRMVZONSA-N 2 2 287.363 0.189 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC1(c2ccccn2)CC1 ZINC001220136768 804508212 /nfs/dbraw/zinc/50/82/12/804508212.db2.gz GOKFFCVPAYBCRC-LLVKDONJSA-N 2 2 271.324 0.480 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220158649 804521665 /nfs/dbraw/zinc/52/16/65/804521665.db2.gz CQPGEESXKXDSCW-WHOFXGATSA-N 3 2 291.399 0.318 20 0 CCADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)C1CC2(C[NH2+]C2)C1 ZINC001220185337 804529976 /nfs/dbraw/zinc/52/99/76/804529976.db2.gz GBBBHEPHFIGOHQ-SNVBAGLBSA-N 2 2 273.327 0.347 20 0 CCADLP C[C@H](CCCC(C)(C)O)NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220242620 804546766 /nfs/dbraw/zinc/54/67/66/804546766.db2.gz GHJGGSOIFPFPGL-LLVKDONJSA-N 2 2 271.405 0.513 20 0 CCADLP O=C(NCCC1=CCCCC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220254749 804552205 /nfs/dbraw/zinc/55/22/05/804552205.db2.gz WCIFITNIQSBZAR-DZGCQCFKSA-N 2 2 263.385 0.945 20 0 CCADLP Cc1ccc([C@H](C)NC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)nc1 ZINC001220266839 804554958 /nfs/dbraw/zinc/55/49/58/804554958.db2.gz WLPUDXFANHKEQZ-SLEUVZQESA-N 2 2 274.368 0.519 20 0 CCADLP CC(C)Oc1ccc(CCNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc1 ZINC001220280690 804560237 /nfs/dbraw/zinc/56/02/37/804560237.db2.gz SUIWNUJEPCASPI-HIFRSBDPSA-N 2 2 291.395 0.822 20 0 CCADLP Cn1cc(CCNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c2ccccc21 ZINC001220323759 804573366 /nfs/dbraw/zinc/57/33/66/804573366.db2.gz MFERNYIXZGQSRD-OCCSQVGLSA-N 2 2 286.379 0.526 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1COCc2ccccc21 ZINC001220655826 804642342 /nfs/dbraw/zinc/64/23/42/804642342.db2.gz GYLCZHUKEGAEQV-UONOGXRCSA-N 2 2 286.335 0.667 20 0 CCADLP O=C(N[C@@H]1COCc2ccccc21)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220658803 804644283 /nfs/dbraw/zinc/64/42/83/804644283.db2.gz XREONGPRKCEJSB-JGGQBBKZSA-N 2 2 287.363 0.326 20 0 CCADLP O=C(NCc1cc2ccncc2[nH]1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220868626 804685709 /nfs/dbraw/zinc/68/57/09/804685709.db2.gz MNDIAUWLKGBPMU-NHYWBVRUSA-N 2 2 285.351 0.131 20 0 CCADLP O=C(N[C@H]1CC[N@H+](CC2CCCCC2)C1)[C@@H]1COCC[NH2+]1 ZINC001220917157 804698907 /nfs/dbraw/zinc/69/89/07/804698907.db2.gz OZCHRSKZHHAWLD-GJZGRUSLSA-N 2 2 295.427 0.746 20 0 CCADLP O=C(N[C@H]1CC[N@@H+](CC2CCCCC2)C1)[C@@H]1COCC[NH2+]1 ZINC001220917157 804698910 /nfs/dbraw/zinc/69/89/10/804698910.db2.gz OZCHRSKZHHAWLD-GJZGRUSLSA-N 2 2 295.427 0.746 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@@H]1CCOC(C)(C)C1 ZINC001220953570 804706439 /nfs/dbraw/zinc/70/64/39/804706439.db2.gz RWBXIKPYWGDVJR-YPMHNXCESA-N 2 2 294.399 0.611 20 0 CCADLP Cc1cc2c(cn1)[C@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)CC2 ZINC001220960074 804709169 /nfs/dbraw/zinc/70/91/69/804709169.db2.gz GYNWFQOUNKUAOO-LSDHHAIUSA-N 2 2 299.378 0.797 20 0 CCADLP O=C(NC[C@@H]1CCCC(F)(F)C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221161958 804737509 /nfs/dbraw/zinc/73/75/09/804737509.db2.gz HOXQJMYWBIXATE-UHIISALHSA-N 2 2 287.354 0.880 20 0 CCADLP C[N@@H+]1CCC[C@](C)(NC(=O)c2cnc(C[NH3+])s2)C1 ZINC001221243084 804755311 /nfs/dbraw/zinc/75/53/11/804755311.db2.gz DMTGDYROUZXIDP-LBPRGKRZSA-N 2 2 268.386 0.816 20 0 CCADLP C[N@H+]1CCC[C@](C)(NC(=O)c2cnc(C[NH3+])s2)C1 ZINC001221243084 804755317 /nfs/dbraw/zinc/75/53/17/804755317.db2.gz DMTGDYROUZXIDP-LBPRGKRZSA-N 2 2 268.386 0.816 20 0 CCADLP CC(=O)Nc1ccc([C@@H](C)NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc1 ZINC001221338102 804781456 /nfs/dbraw/zinc/78/14/56/804781456.db2.gz XTTUEZHACKQJGY-IIMNLJJBSA-N 2 2 290.367 0.369 20 0 CCADLP CC(C)[C@H](NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)c1cccnc1 ZINC001221382720 804797694 /nfs/dbraw/zinc/79/76/94/804797694.db2.gz OGFPFJCYNSPKPG-IJEWVQPXSA-N 2 2 288.395 0.846 20 0 CCADLP O=C(NCCOc1cc[nH+]cc1)[C@H]1CC[NH2+]C[C@H]1F ZINC001221393921 804799147 /nfs/dbraw/zinc/79/91/47/804799147.db2.gz ROYRSYAZHGUFDK-NWDGAFQWSA-N 2 2 267.304 0.524 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)[C@H](C)C1 ZINC001221409492 804811097 /nfs/dbraw/zinc/81/10/97/804811097.db2.gz UPJDBHJRXZPCHQ-HOSILWTGSA-N 3 2 294.443 0.173 20 0 CCADLP CC(C)[N@H+]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)[C@H](C)C1 ZINC001221409492 804811104 /nfs/dbraw/zinc/81/11/04/804811104.db2.gz UPJDBHJRXZPCHQ-HOSILWTGSA-N 3 2 294.443 0.173 20 0 CCADLP c1c(CN2CC[NH2+]C3(CC[NH2+]CC3)C2)nc2ccccn12 ZINC001222090480 804865819 /nfs/dbraw/zinc/86/58/19/804865819.db2.gz DMWUFECAGASUJD-UHFFFAOYSA-N 2 2 285.395 0.862 20 0 CCADLP Nc1[nH+]cccc1-c1cnc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001243475443 807038226 /nfs/dbraw/zinc/03/82/26/807038226.db2.gz ZKDHXNSEUOPMSM-SNVBAGLBSA-N 2 2 257.297 0.862 20 0 CCADLP CCC[N@@H+]1CC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001276890387 804971766 /nfs/dbraw/zinc/97/17/66/804971766.db2.gz BBNQYQKNVMDNIK-GFCCVEGCSA-N 2 2 264.373 0.953 20 0 CCADLP CCC[N@H+]1CC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001276890387 804971773 /nfs/dbraw/zinc/97/17/73/804971773.db2.gz BBNQYQKNVMDNIK-GFCCVEGCSA-N 2 2 264.373 0.953 20 0 CCADLP C[NH+]1CCN(CCOC2CC[NH+](CCF)CC2)CC1 ZINC001224551652 805051451 /nfs/dbraw/zinc/05/14/51/805051451.db2.gz JDBFBONKEFJYLB-UHFFFAOYSA-N 2 2 273.396 0.684 20 0 CCADLP CN1CC[NH+](CCOC2CC[NH+](CCF)CC2)CC1 ZINC001224551652 805051457 /nfs/dbraw/zinc/05/14/57/805051457.db2.gz JDBFBONKEFJYLB-UHFFFAOYSA-N 2 2 273.396 0.684 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001276985787 805063472 /nfs/dbraw/zinc/06/34/72/805063472.db2.gz JGUXBNGXEAKLLN-VXGBXAGGSA-N 2 2 266.345 0.109 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001276985787 805063480 /nfs/dbraw/zinc/06/34/80/805063480.db2.gz JGUXBNGXEAKLLN-VXGBXAGGSA-N 2 2 266.345 0.109 20 0 CCADLP C[C@H](O)C[NH+]1CCC(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001224672493 805068315 /nfs/dbraw/zinc/06/83/15/805068315.db2.gz IJUNMKCOBCKRER-NSHDSACASA-N 2 2 280.372 0.161 20 0 CCADLP CO[C@@H](C)C[NH+]1CCC(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001224958598 805094937 /nfs/dbraw/zinc/09/49/37/805094937.db2.gz YATLCPCZJONOJD-LBPRGKRZSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+]1CCO ZINC001088663581 815053033 /nfs/dbraw/zinc/05/30/33/815053033.db2.gz JQVGAXPGESYRTC-PWSUYJOCSA-N 2 2 288.351 0.748 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+]1CCO ZINC001088663581 815053037 /nfs/dbraw/zinc/05/30/37/815053037.db2.gz JQVGAXPGESYRTC-PWSUYJOCSA-N 2 2 288.351 0.748 20 0 CCADLP CCOCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001277087500 805181696 /nfs/dbraw/zinc/18/16/96/805181696.db2.gz LEXNHCSOTMWOEU-VXGBXAGGSA-N 2 2 292.383 0.788 20 0 CCADLP CCOCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001277087500 805181702 /nfs/dbraw/zinc/18/17/02/805181702.db2.gz LEXNHCSOTMWOEU-VXGBXAGGSA-N 2 2 292.383 0.788 20 0 CCADLP COC[C@@H](C)[NH+]1CCC(NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001227138572 805326668 /nfs/dbraw/zinc/32/66/68/805326668.db2.gz OGRNOLCOPRGWBE-GFCCVEGCSA-N 2 2 294.399 0.958 20 0 CCADLP COCC[NH+]1CCC(NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001228407919 805443863 /nfs/dbraw/zinc/44/38/63/805443863.db2.gz KARBJKQOIOTBMD-UHFFFAOYSA-N 2 2 294.399 0.580 20 0 CCADLP C[NH+](C)C1CCC(NC(=[NH2+])N2CC[NH+](C)CC2)CC1 ZINC001168298220 815082451 /nfs/dbraw/zinc/08/24/51/815082451.db2.gz GBMIOLHYXDWTSD-UHFFFAOYSA-N 3 2 267.421 0.631 20 0 CCADLP O[C@H](C[NH2+][C@H]1CCC[NH2+]C1)COCc1ccco1 ZINC001245978931 807105466 /nfs/dbraw/zinc/10/54/66/807105466.db2.gz GPVHBBFAKBXTAR-NWDGAFQWSA-N 2 2 254.330 0.499 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@@H]1CCC[NH2+][C@@H]1C ZINC001245982613 807105788 /nfs/dbraw/zinc/10/57/88/807105788.db2.gz LMKPDOGKVGUWTB-HZSPNIEDSA-N 3 2 257.422 0.667 20 0 CCADLP COc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCC[NH2+]1 ZINC001245984254 807106897 /nfs/dbraw/zinc/10/68/97/807106897.db2.gz WGUIUJIEGIBMAI-CHWSQXEVSA-N 2 2 280.368 0.777 20 0 CCADLP O[C@@H](C[NH2+]C[C@H]1C[NH2+]CCN1)COc1ccc(Cl)cc1 ZINC001246017776 807117098 /nfs/dbraw/zinc/11/70/98/807117098.db2.gz ZMVQWUXYNTYHIY-OLZOCXBDSA-N 2 2 299.802 0.231 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246016255 807117315 /nfs/dbraw/zinc/11/73/15/807117315.db2.gz JXPRXCVFNJYTBF-OWCLPIDISA-N 3 2 277.412 0.731 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001246016255 807117320 /nfs/dbraw/zinc/11/73/20/807117320.db2.gz JXPRXCVFNJYTBF-OWCLPIDISA-N 3 2 277.412 0.731 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246021723 807120607 /nfs/dbraw/zinc/12/06/07/807120607.db2.gz OVFPUJQWTKTBBP-TZMCWYRMSA-N 3 2 257.422 0.939 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246021723 807120611 /nfs/dbraw/zinc/12/06/11/807120611.db2.gz OVFPUJQWTKTBBP-TZMCWYRMSA-N 3 2 257.422 0.939 20 0 CCADLP F[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001246091227 807149611 /nfs/dbraw/zinc/14/96/11/807149611.db2.gz HCRMCSMIOWCTHW-QCNOEVLYSA-N 2 2 268.340 0.446 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[NH2+]C2)C[C@@H]1C(=O)OC ZINC001246089884 807150394 /nfs/dbraw/zinc/15/03/94/807150394.db2.gz HMCBRLNKCANYOD-ZDEQEGDKSA-N 2 2 298.383 0.459 20 0 CCADLP C([NH2+][C@H]1CCC[NH2+]C1)[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001246133554 807162660 /nfs/dbraw/zinc/16/26/60/807162660.db2.gz KDYMQXXQOQHRAY-STQMWFEESA-N 3 2 253.390 0.629 20 0 CCADLP COC(=O)[C@H]1C[C@@H](NCC[NH2+]Cc2ccccc2)C[NH2+]1 ZINC001246165318 807173285 /nfs/dbraw/zinc/17/32/85/807173285.db2.gz GPVNFAZFSXASSH-ZIAGYGMSSA-N 2 2 277.368 0.269 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH2+][C@]2(C)CCC[NH2+]C2)CN1 ZINC001246191293 807181444 /nfs/dbraw/zinc/18/14/44/807181444.db2.gz VOKKLHNFHYBPCH-GMXVVIOVSA-N 2 2 255.362 0.012 20 0 CCADLP CC(C)(C)OC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CCNC(=O)C1 ZINC001246200462 807185418 /nfs/dbraw/zinc/18/54/18/807185418.db2.gz FJNPPTASPDIHKB-RYUDHWBXSA-N 2 2 299.415 0.694 20 0 CCADLP C(C1CC1)[NH+]1CCC([NH2+]C2CN(C3CC[NH2+]CC3)C2)CC1 ZINC001246216090 807188969 /nfs/dbraw/zinc/18/89/69/807188969.db2.gz VVNDZWPMVPRIPP-UHFFFAOYSA-N 3 2 292.471 0.887 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)nn2)CC[NH2+]1 ZINC001246262596 807201488 /nfs/dbraw/zinc/20/14/88/807201488.db2.gz IQTQRWRBRDYKPA-OLZOCXBDSA-N 2 2 291.399 0.543 20 0 CCADLP [NH3+]C[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246263254 807201777 /nfs/dbraw/zinc/20/17/77/807201777.db2.gz CPSKIDZSCYHRLZ-HUUCEWRRSA-N 3 2 274.412 0.240 20 0 CCADLP COC(=O)[C@H]1C[C@H](NC[C@H]2Cc3ccccc3C[NH2+]2)C[NH2+]1 ZINC001246283523 807206779 /nfs/dbraw/zinc/20/67/79/807206779.db2.gz WQVQFYAXCZJWES-QLFBSQMISA-N 2 2 289.379 0.194 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]C2(C[NH3+])CCCC2)CN1 ZINC001246288147 807209055 /nfs/dbraw/zinc/20/90/55/807209055.db2.gz PQVOICNGBFCKMO-MNOVXSKESA-N 2 2 255.362 0.141 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]([NH3+])Cc2ccccc2)CN1 ZINC001246301093 807213604 /nfs/dbraw/zinc/21/36/04/807213604.db2.gz WKXGQYOSBSDWPK-KKUMJFAQSA-N 2 2 291.395 0.440 20 0 CCADLP CC(C)OC(=O)CC[C@@H](C)[NH2+][C@@H]1C[NH2+]C[C@@H]1CO ZINC001246306819 807217017 /nfs/dbraw/zinc/21/70/17/807217017.db2.gz LOROLCSYVCWAQW-IJLUTSLNSA-N 2 2 258.362 0.277 20 0 CCADLP CS(=O)(=O)c1cccc(CC[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC001246322530 807221318 /nfs/dbraw/zinc/22/13/18/807221318.db2.gz BUAXRDNZJQCABE-CYBMUJFWSA-N 2 2 282.409 0.974 20 0 CCADLP COC(=O)[C@H](CCC[NH3+])[NH2+][C@@H](C)Cc1ccncc1 ZINC001246402804 807244138 /nfs/dbraw/zinc/24/41/38/807244138.db2.gz YOBRIHQLHVWQGN-AAEUAGOBSA-N 2 2 265.357 0.883 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Nc2ccc([C@@H](C[NH3+])CO)cc2)C[NH2+]1 ZINC001246499711 807265918 /nfs/dbraw/zinc/26/59/18/807265918.db2.gz DDVXCDFJBFDRMZ-UBHSHLNASA-N 2 2 293.367 0.037 20 0 CCADLP CCOC(=O)[C@@H]([NH3+])Cc1cn([C@H]2CC[C@H](C)[NH2+]C2)cn1 ZINC001246515067 807270866 /nfs/dbraw/zinc/27/08/66/807270866.db2.gz CGZLIWBMRFBYLV-DRZSPHRISA-N 2 2 280.372 0.629 20 0 CCADLP CCOC(=O)CC1([NH3+])CC[NH+]([C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246534360 807275969 /nfs/dbraw/zinc/27/59/69/807275969.db2.gz YEFRSCYHQPWEGE-CHWSQXEVSA-N 3 2 283.416 0.873 20 0 CCADLP CCCC[C@@H]1C[C@H]([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246582375 807303537 /nfs/dbraw/zinc/30/35/37/807303537.db2.gz XCQZESRYACZONF-REWJHTLYSA-N 3 2 255.406 0.549 20 0 CCADLP CCCC[C@@H]1C[C@H]([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246582375 807303541 /nfs/dbraw/zinc/30/35/41/807303541.db2.gz XCQZESRYACZONF-REWJHTLYSA-N 3 2 255.406 0.549 20 0 CCADLP C[C@@H]1C[C@@H]([N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C[C@H](C)[NH2+]1 ZINC001246640404 807340287 /nfs/dbraw/zinc/34/02/87/807340287.db2.gz GIEHYBHQSPCQPL-XJFOESAGSA-N 3 2 252.406 0.153 20 0 CCADLP C[C@@H]1C[C@@H]([N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C[C@H](C)[NH2+]1 ZINC001246640404 807340293 /nfs/dbraw/zinc/34/02/93/807340293.db2.gz GIEHYBHQSPCQPL-XJFOESAGSA-N 3 2 252.406 0.153 20 0 CCADLP CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2[C@@H]2CCC[NH2+]C2)O1 ZINC001246697641 807358529 /nfs/dbraw/zinc/35/85/29/807358529.db2.gz TVUGKQHFBPLFAA-LPWJVIDDSA-N 2 2 267.373 0.058 20 0 CCADLP CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2[C@@H]2CCC[NH2+]C2)O1 ZINC001246697641 807358537 /nfs/dbraw/zinc/35/85/37/807358537.db2.gz TVUGKQHFBPLFAA-LPWJVIDDSA-N 2 2 267.373 0.058 20 0 CCADLP CCN(CC[NH+]1CCOCC1)[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246839431 807401628 /nfs/dbraw/zinc/40/16/28/807401628.db2.gz BFMVCSHTGZVKEI-KBPBESRZSA-N 2 2 255.406 0.781 20 0 CCADLP C(C[NH+]1CCCC1)N1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001246857917 807409900 /nfs/dbraw/zinc/40/99/00/807409900.db2.gz IXEXYMCENKWKAS-UHFFFAOYSA-N 3 2 266.433 0.452 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](C2CCC([NH+](C)C)CC2)C[C@@H]1[NH3+] ZINC001246929510 807431448 /nfs/dbraw/zinc/43/14/48/807431448.db2.gz DWOFVTKBSLGXEX-TYUFSLCMSA-N 3 2 269.389 0.291 20 0 CCADLP COC(=O)[C@H]1C[N@H+](C2CCC([NH+](C)C)CC2)C[C@@H]1[NH3+] ZINC001246929510 807431455 /nfs/dbraw/zinc/43/14/55/807431455.db2.gz DWOFVTKBSLGXEX-TYUFSLCMSA-N 3 2 269.389 0.291 20 0 CCADLP CCOC(=O)[C@@H]1C[N@@H+]([C@@H]2CCC[NH2+]C2)CCC12C[NH2+]C2 ZINC001247005101 807452893 /nfs/dbraw/zinc/45/28/93/807452893.db2.gz GADDZDUSDYIQSY-OLZOCXBDSA-N 3 2 281.400 0.213 20 0 CCADLP CCOC(=O)[C@@H]1C[N@H+]([C@@H]2CCC[NH2+]C2)CCC12C[NH2+]C2 ZINC001247005101 807452896 /nfs/dbraw/zinc/45/28/96/807452896.db2.gz GADDZDUSDYIQSY-OLZOCXBDSA-N 3 2 281.400 0.213 20 0 CCADLP CC(C)(O)[C@H]([NH3+])c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001247630331 807473713 /nfs/dbraw/zinc/47/37/13/807473713.db2.gz CHUGSQZTIUTFLA-LLVKDONJSA-N 2 2 289.339 0.548 20 0 CCADLP O[C@@H]1C[NH2+]C[C@H]1c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001247712562 807481508 /nfs/dbraw/zinc/48/15/08/807481508.db2.gz VSUVVDNBJSFTKI-CHWSQXEVSA-N 2 2 297.318 0.970 20 0 CCADLP COc1nc(C)ccc1-c1noc(C[C@@H]([NH3+])C[NH3+])n1 ZINC001249128551 807544354 /nfs/dbraw/zinc/54/43/54/807544354.db2.gz LRMOIGITIKLMBY-MRVPVSSYSA-N 2 2 263.301 0.277 20 0 CCADLP C[NH+](C)CCn1cc(CC[NH+]2CCOCC2)cn1 ZINC001250276022 807587849 /nfs/dbraw/zinc/58/78/49/807587849.db2.gz VSCSJCKPNDNYKC-UHFFFAOYSA-N 2 2 252.362 0.319 20 0 CCADLP C[C@@H](CNC(=O)N1CCn2c[nH+]cc2C1)[NH+](C)C ZINC001251153216 807669150 /nfs/dbraw/zinc/66/91/50/807669150.db2.gz YELXVFZYIIBPPK-JTQLQIEISA-N 2 2 251.334 0.358 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001251958292 807750066 /nfs/dbraw/zinc/75/00/66/807750066.db2.gz ATOSTWDRIPSWRV-NWANDNLSSA-N 2 2 278.400 0.555 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001251958292 807750067 /nfs/dbraw/zinc/75/00/67/807750067.db2.gz ATOSTWDRIPSWRV-NWANDNLSSA-N 2 2 278.400 0.555 20 0 CCADLP C[C@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001251958292 807750068 /nfs/dbraw/zinc/75/00/68/807750068.db2.gz ATOSTWDRIPSWRV-NWANDNLSSA-N 2 2 278.400 0.555 20 0 CCADLP C[C@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001251958292 807750069 /nfs/dbraw/zinc/75/00/69/807750069.db2.gz ATOSTWDRIPSWRV-NWANDNLSSA-N 2 2 278.400 0.555 20 0 CCADLP CCCC[C@@H](O)C[NH2+]CCC(=O)NCCc1c[nH]c[nH+]1 ZINC001252115541 807796450 /nfs/dbraw/zinc/79/64/50/807796450.db2.gz SHLJIVAQZRRBAQ-CYBMUJFWSA-N 2 2 282.388 0.599 20 0 CCADLP CCCC[C@@H](O)C[NH2+]CCC(=O)NCCc1c[nH+]c[nH]1 ZINC001252115541 807796452 /nfs/dbraw/zinc/79/64/52/807796452.db2.gz SHLJIVAQZRRBAQ-CYBMUJFWSA-N 2 2 282.388 0.599 20 0 CCADLP COC(=O)[C@@H](O)C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001252423995 807838082 /nfs/dbraw/zinc/83/80/82/807838082.db2.gz IDTYROGNEZVPLS-AWEZNQCLSA-N 2 2 284.400 0.859 20 0 CCADLP COC(=O)[C@@H](O)C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001252423995 807838091 /nfs/dbraw/zinc/83/80/91/807838091.db2.gz IDTYROGNEZVPLS-AWEZNQCLSA-N 2 2 284.400 0.859 20 0 CCADLP OC1(C[NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)CCOCC1 ZINC001252960434 807991778 /nfs/dbraw/zinc/99/17/78/807991778.db2.gz WKEJIOBLHLDQFD-UHFFFAOYSA-N 2 2 280.412 0.946 20 0 CCADLP OC1(C[NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)CCOCC1 ZINC001252960434 807991780 /nfs/dbraw/zinc/99/17/80/807991780.db2.gz WKEJIOBLHLDQFD-UHFFFAOYSA-N 2 2 280.412 0.946 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC3(O)CCOCC3)C[C@H]21 ZINC001252966065 807994571 /nfs/dbraw/zinc/99/45/71/807994571.db2.gz UDBFYYHPYDLUDO-CHWSQXEVSA-N 2 2 254.374 0.554 20 0 CCADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC3(O)CCOCC3)C[C@H]21 ZINC001252966065 807994558 /nfs/dbraw/zinc/99/45/58/807994558.db2.gz UDBFYYHPYDLUDO-CHWSQXEVSA-N 2 2 254.374 0.554 20 0 CCADLP C[N@H+]1CCC[C@@H]2C[NH+](CC3(O)CCOCC3)C[C@H]21 ZINC001252966065 807994563 /nfs/dbraw/zinc/99/45/63/807994563.db2.gz UDBFYYHPYDLUDO-CHWSQXEVSA-N 2 2 254.374 0.554 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@H+](CC3(O)CCOCC3)C[C@H]21 ZINC001252966065 807994567 /nfs/dbraw/zinc/99/45/67/807994567.db2.gz UDBFYYHPYDLUDO-CHWSQXEVSA-N 2 2 254.374 0.554 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+]CCCn1cc[nH+]c1 ZINC001253174901 808015525 /nfs/dbraw/zinc/01/55/25/808015525.db2.gz QSHXTIAFMDMOML-ZDUSSCGKSA-N 3 2 254.378 0.566 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001253188269 808023567 /nfs/dbraw/zinc/02/35/67/808023567.db2.gz UJUMNIPOESNOJU-XQQFMLRXSA-N 2 2 292.370 0.903 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001253188269 808023572 /nfs/dbraw/zinc/02/35/72/808023572.db2.gz UJUMNIPOESNOJU-XQQFMLRXSA-N 2 2 292.370 0.903 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)OC)CC1 ZINC001253192291 808027045 /nfs/dbraw/zinc/02/70/45/808027045.db2.gz NPXDJVVFWYSHEZ-UONOGXRCSA-N 2 2 286.416 0.964 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@H](C(=O)OC)CC1 ZINC001253192291 808027055 /nfs/dbraw/zinc/02/70/55/808027055.db2.gz NPXDJVVFWYSHEZ-UONOGXRCSA-N 2 2 286.416 0.964 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]CCN1CCCCO1 ZINC001253201876 808027899 /nfs/dbraw/zinc/02/78/99/808027899.db2.gz ANZISDNZNPZGTO-CYBMUJFWSA-N 2 2 259.394 0.306 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H](C(=O)NC(C)C)C(C)C ZINC001253209280 808032905 /nfs/dbraw/zinc/03/29/05/808032905.db2.gz DHZNRISHGHOWFD-KBPBESRZSA-N 2 2 287.448 0.828 20 0 CCADLP C[NH+]1CCC2(C[NH+](C[C@H](O)C[NH2+]C(C)(C)C)C2)CC1 ZINC001253395052 808055772 /nfs/dbraw/zinc/05/57/72/808055772.db2.gz ZHZREXAHBKBWFO-CYBMUJFWSA-N 3 2 269.433 0.763 20 0 CCADLP Cc1noc([C@@H]2CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)n1 ZINC001253394048 808056026 /nfs/dbraw/zinc/05/60/26/808056026.db2.gz DPUIWFDOQKSUKL-VXGBXAGGSA-N 2 2 282.388 0.916 20 0 CCADLP Cc1noc([C@@H]2CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)n1 ZINC001253394048 808056034 /nfs/dbraw/zinc/05/60/34/808056034.db2.gz DPUIWFDOQKSUKL-VXGBXAGGSA-N 2 2 282.388 0.916 20 0 CCADLP CC(=O)N(C)[C@@H]1CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C1 ZINC001253396404 808056223 /nfs/dbraw/zinc/05/62/23/808056223.db2.gz ZIJGOUGGIGTOII-CHWSQXEVSA-N 2 2 271.405 0.288 20 0 CCADLP CC(=O)N(C)[C@@H]1CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C1 ZINC001253396404 808056230 /nfs/dbraw/zinc/05/62/30/808056230.db2.gz ZIJGOUGGIGTOII-CHWSQXEVSA-N 2 2 271.405 0.288 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C1CN(CC(F)(F)F)C1 ZINC001253412843 808064258 /nfs/dbraw/zinc/06/42/58/808064258.db2.gz UYKOSUMFQKQPBB-JTQLQIEISA-N 2 2 283.338 0.572 20 0 CCADLP CCCCC[C@@H](O)CNC(=[NH2+])N1CC[NH+](C)CC1 ZINC001253554153 808079744 /nfs/dbraw/zinc/07/97/44/808079744.db2.gz OJPFZPQSJIOIEE-GFCCVEGCSA-N 2 2 256.394 0.699 20 0 CCADLP C[NH+](C)Cc1cn(C[C@H]2CC3(CO2)CC[NH2+]CC3)nn1 ZINC001254063918 808174774 /nfs/dbraw/zinc/17/47/74/808174774.db2.gz UOWGYCNUBPBBDV-CYBMUJFWSA-N 2 2 279.388 0.498 20 0 CCADLP C[N@H+](CC(=O)N1CCOCC1)[C@H]1CCC[NH+](C)CC1 ZINC001254517778 808251463 /nfs/dbraw/zinc/25/14/63/808251463.db2.gz YQRATIATQNIJOX-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP C[N@@H+](CC(=O)N1CCOCC1)[C@H]1CCC[NH+](C)CC1 ZINC001254517778 808251467 /nfs/dbraw/zinc/25/14/67/808251467.db2.gz YQRATIATQNIJOX-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP C[NH+](CC(=O)N1CCOCC1)[C@H]1CCC[N@H+](C)CC1 ZINC001254517778 808251471 /nfs/dbraw/zinc/25/14/71/808251471.db2.gz YQRATIATQNIJOX-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP C[NH+](CC(=O)N1CCOCC1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254517778 808251476 /nfs/dbraw/zinc/25/14/76/808251476.db2.gz YQRATIATQNIJOX-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP C[N@@H+]1CCC[C@@H]([NH+]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001254527003 808256761 /nfs/dbraw/zinc/25/67/61/808256761.db2.gz VKXJUSGINXKEML-CHWSQXEVSA-N 2 2 251.374 0.777 20 0 CCADLP C[N@H+]1CCC[C@@H]([NH+]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001254527003 808256763 /nfs/dbraw/zinc/25/67/63/808256763.db2.gz VKXJUSGINXKEML-CHWSQXEVSA-N 2 2 251.374 0.777 20 0 CCADLP C[NH+]1CCC[C@@H]([N@@H+]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001254527003 808256766 /nfs/dbraw/zinc/25/67/66/808256766.db2.gz VKXJUSGINXKEML-CHWSQXEVSA-N 2 2 251.374 0.777 20 0 CCADLP C[NH+]1CCC[C@@H]([N@H+]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001254527003 808256769 /nfs/dbraw/zinc/25/67/69/808256769.db2.gz VKXJUSGINXKEML-CHWSQXEVSA-N 2 2 251.374 0.777 20 0 CCADLP C[NH+]1CC(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC001142600825 815190413 /nfs/dbraw/zinc/19/04/13/815190413.db2.gz MOVQXEGVWAOACX-GFCCVEGCSA-N 2 2 260.341 0.338 20 0 CCADLP O=C1CCC[C@@H]([NH2+][C@H]2CC3CC[NH+](CC3)C2)CN1 ZINC001254840508 808285161 /nfs/dbraw/zinc/28/51/61/808285161.db2.gz HZHZKYIAMJYDJE-OLZOCXBDSA-N 2 2 251.374 0.729 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](O)C[NH2+]C(C)C ZINC001278828005 808299969 /nfs/dbraw/zinc/29/99/69/808299969.db2.gz SGDDDWWYDWACLC-LLVKDONJSA-N 2 2 268.361 0.078 20 0 CCADLP [NH3+]C[C@@H](O)C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255383081 808352252 /nfs/dbraw/zinc/35/22/52/808352252.db2.gz ZOVQTALIGIKQBK-HZPDHXFCSA-N 3 2 277.412 0.950 20 0 CCADLP [NH3+]C[C@@H](O)C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255383081 808352258 /nfs/dbraw/zinc/35/22/58/808352258.db2.gz ZOVQTALIGIKQBK-HZPDHXFCSA-N 3 2 277.412 0.950 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])NC2CC[NH+](C3CC3)CC2)CC1 ZINC001256067213 808466059 /nfs/dbraw/zinc/46/60/59/808466059.db2.gz GMFBCSQYCZASGV-UHFFFAOYSA-N 3 2 265.405 0.385 20 0 CCADLP CCOC(=O)[C@@H]([NH3+])Cc1cn(C2CC[NH+](C)CC2)cn1 ZINC001256202023 808478244 /nfs/dbraw/zinc/47/82/44/808478244.db2.gz RXXQRALFOZYSHO-ZDUSSCGKSA-N 2 2 280.372 0.583 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[NH2+][C@@]1(C)CCC[N@H+](C)C1 ZINC001256333174 808499443 /nfs/dbraw/zinc/49/94/43/808499443.db2.gz BXAOQVXFLKPHGD-HIFRSBDPSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[NH2+][C@@]1(C)CCC[N@@H+](C)C1 ZINC001256333174 808499449 /nfs/dbraw/zinc/49/94/49/808499449.db2.gz BXAOQVXFLKPHGD-HIFRSBDPSA-N 2 2 283.416 0.698 20 0 CCADLP CCCCOC(=O)CC[C@H](C)[N@H+](CC[NH3+])CCO ZINC001257389255 808614638 /nfs/dbraw/zinc/61/46/38/808614638.db2.gz RLQHAHCKZJQIFI-LBPRGKRZSA-N 2 2 260.378 0.751 20 0 CCADLP CCCCOC(=O)CC[C@H](C)[N@@H+](CC[NH3+])CCO ZINC001257389255 808614642 /nfs/dbraw/zinc/61/46/42/808614642.db2.gz RLQHAHCKZJQIFI-LBPRGKRZSA-N 2 2 260.378 0.751 20 0 CCADLP Cc1cc(CNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)cc(C)[nH+]1 ZINC001262070423 809181761 /nfs/dbraw/zinc/18/17/61/809181761.db2.gz ZHUYHOHAQWIBAQ-JOCQHMNTSA-N 2 2 290.367 0.168 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC001262580616 809356091 /nfs/dbraw/zinc/35/60/91/809356091.db2.gz VQSUUTXJFUKIQB-AAEUAGOBSA-N 2 2 268.405 0.897 20 0 CCADLP [NH3+][C@H](CC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)C(F)F ZINC001263108048 809448574 /nfs/dbraw/zinc/44/85/74/809448574.db2.gz MUFOLXOHNCOHMJ-SKDRFNHKSA-N 2 2 261.316 0.571 20 0 CCADLP COc1cccc(OC[C@H](O)C[NH2+]CC2C[NH+](C)C2)c1 ZINC000379439408 809512348 /nfs/dbraw/zinc/51/23/48/809512348.db2.gz NPHUQNNPAHTFJP-CYBMUJFWSA-N 2 2 280.368 0.586 20 0 CCADLP COCCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001264170725 809636207 /nfs/dbraw/zinc/63/62/07/809636207.db2.gz JXDQAWVDUMONDV-OLZOCXBDSA-N 2 2 294.399 0.876 20 0 CCADLP COCCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001264170725 809636209 /nfs/dbraw/zinc/63/62/09/809636209.db2.gz JXDQAWVDUMONDV-OLZOCXBDSA-N 2 2 294.399 0.876 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCCCC[C@@H]([NH2+]CCCO)C1 ZINC001264682214 809671752 /nfs/dbraw/zinc/67/17/52/809671752.db2.gz RSARUWLVYJFUKY-CYBMUJFWSA-N 2 2 294.399 0.695 20 0 CCADLP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC001076574919 815310886 /nfs/dbraw/zinc/31/08/86/815310886.db2.gz RISNCGNGULWLSF-QWHCGFSZSA-N 2 2 269.364 0.584 20 0 CCADLP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001076574919 815310890 /nfs/dbraw/zinc/31/08/90/815310890.db2.gz RISNCGNGULWLSF-QWHCGFSZSA-N 2 2 269.364 0.584 20 0 CCADLP COCC[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001265485171 809790012 /nfs/dbraw/zinc/79/00/12/809790012.db2.gz ZYRDJOZUJDARJW-JOCQHMNTSA-N 2 2 293.367 0.516 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001265792320 809854622 /nfs/dbraw/zinc/85/46/22/809854622.db2.gz LKRNPHFPWAXRBQ-GHMZBOCLSA-N 2 2 250.346 0.560 20 0 CCADLP COC[C@H](C)[NH2+][C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001265844044 809874174 /nfs/dbraw/zinc/87/41/74/809874174.db2.gz RSIFEZIUDUGHKP-ZJUUUORDSA-N 2 2 254.334 0.081 20 0 CCADLP CC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3[nH]c[nH+]c3C)[C@H]2C1 ZINC001083259718 811104720 /nfs/dbraw/zinc/10/47/20/811104720.db2.gz PAVPRWPDCOTTTA-QWHCGFSZSA-N 2 2 278.356 0.192 20 0 CCADLP CC[N@H+]1C[C@H]2OCCN(C(=O)Cc3[nH]c[nH+]c3C)[C@H]2C1 ZINC001083259718 811104728 /nfs/dbraw/zinc/10/47/28/811104728.db2.gz PAVPRWPDCOTTTA-QWHCGFSZSA-N 2 2 278.356 0.192 20 0 CCADLP Cc1ncc(C[NH3+])c(=N)n1-c1ccc(Cn2cc[nH+]c2)cn1 ZINC001167673179 811154483 /nfs/dbraw/zinc/15/44/83/811154483.db2.gz OAPGGXTYGWKYLG-UHFFFAOYSA-N 2 2 295.350 0.759 20 0 CCADLP CC(C)OCC[NH2+]CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001267445456 811311722 /nfs/dbraw/zinc/31/17/22/811311722.db2.gz AWTYEYACTFZSHR-UHFFFAOYSA-N 2 2 268.361 0.425 20 0 CCADLP CCc1nocc1C[NH2+]CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001267478366 811362095 /nfs/dbraw/zinc/36/20/95/811362095.db2.gz IOBJQQWBEWWVIX-UHFFFAOYSA-N 2 2 291.355 0.682 20 0 CCADLP O=S1(=O)CC[C@H](CF)C12C[NH+](CC1CC[NH2+]CC1)C2 ZINC001207439383 811558707 /nfs/dbraw/zinc/55/87/07/811558707.db2.gz RBCVBSHMCBVIDT-GFCCVEGCSA-N 2 2 290.404 0.445 20 0 CCADLP COCC[NH2+]CC1(CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001167736696 811759186 /nfs/dbraw/zinc/75/91/86/811759186.db2.gz GSHRRQMVQQRFGW-UHFFFAOYSA-N 2 2 294.399 0.485 20 0 CCADLP CCOCC[N@@H+]1CC[C@H](N(CC)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001267790325 811786448 /nfs/dbraw/zinc/78/64/48/811786448.db2.gz MBFQSUIHBAVYNR-AWEZNQCLSA-N 2 2 294.399 0.912 20 0 CCADLP CCOCC[N@H+]1CC[C@H](N(CC)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001267790325 811786452 /nfs/dbraw/zinc/78/64/52/811786452.db2.gz MBFQSUIHBAVYNR-AWEZNQCLSA-N 2 2 294.399 0.912 20 0 CCADLP O[C@H](C[NH2+]CCCCn1cc[nH+]c1)C1(O)CCC1 ZINC000905110453 815509919 /nfs/dbraw/zinc/50/99/19/815509919.db2.gz KLJIECDJHSALOY-GFCCVEGCSA-N 2 2 253.346 0.529 20 0 CCADLP O=C(NC[C@@H]1CCC[N@H+]1CCO)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001028131044 812301163 /nfs/dbraw/zinc/30/11/63/812301163.db2.gz AZOXMYJRBCBFTC-NWDGAFQWSA-N 2 2 292.383 0.403 20 0 CCADLP O=C(NC[C@@H]1CCC[N@@H+]1CCO)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001028131044 812301173 /nfs/dbraw/zinc/30/11/73/812301173.db2.gz AZOXMYJRBCBFTC-NWDGAFQWSA-N 2 2 292.383 0.403 20 0 CCADLP Cc1nc(N[C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)cc[nH+]1 ZINC001058906218 812324148 /nfs/dbraw/zinc/32/41/48/812324148.db2.gz UQVONASGYYIEFK-ZDUSSCGKSA-N 2 2 289.383 0.894 20 0 CCADLP C[C@@H](CC[NH2+]CC[C@H]1CCOC1)NC(=O)Cn1cc[nH+]c1 ZINC001268428893 812563338 /nfs/dbraw/zinc/56/33/38/812563338.db2.gz AVVZKCRYRZJYRD-KBPBESRZSA-N 2 2 294.399 0.794 20 0 CCADLP CC(=O)c1ccc(-c2noc([C@H]3C[NH2+]C[C@@H]3[NH3+])n2)cc1 ZINC001211755341 812670127 /nfs/dbraw/zinc/67/01/27/812670127.db2.gz IAICLKWTVJSSNB-RYUDHWBXSA-N 2 2 272.308 0.953 20 0 CCADLP C[C@@H](O)C[NH2+]CC=CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001268554203 812793458 /nfs/dbraw/zinc/79/34/58/812793458.db2.gz ARMGBHTTZAMTMX-OTDNITJGSA-N 2 2 288.351 0.819 20 0 CCADLP C[C@H](C[NH2+]CCF)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001268648889 812975567 /nfs/dbraw/zinc/97/55/67/812975567.db2.gz AZUQGBHDKTTWSI-OPRDCNLKSA-N 2 2 254.309 0.577 20 0 CCADLP CCOCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001268652152 812980682 /nfs/dbraw/zinc/98/06/82/812980682.db2.gz BMKUENQTFYTZNE-OLZOCXBDSA-N 2 2 294.399 0.576 20 0 CCADLP C[C@H](C[NH2+]C/C=C\Cl)NC(=O)Cn1cc[nH+]c1 ZINC001268675806 812997712 /nfs/dbraw/zinc/99/77/12/812997712.db2.gz GTKGTTRATCWCEN-MXQLGCADSA-N 2 2 256.737 0.730 20 0 CCADLP COCC[NH2+]C[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001268706119 813025351 /nfs/dbraw/zinc/02/53/51/813025351.db2.gz VUSQDCHEXDFLAO-RYUDHWBXSA-N 2 2 268.361 0.575 20 0 CCADLP CC(C)(C(=O)N(CCO)CC[NH2+]CC1CC1)c1c[nH+]c[nH]1 ZINC001279886463 813107607 /nfs/dbraw/zinc/10/76/07/813107607.db2.gz MQMMAFYAKPTRAO-UHFFFAOYSA-N 2 2 294.399 0.508 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC2(C1)CC[N@H+](Cc1ccc[nH]1)C2 ZINC001269840940 813526577 /nfs/dbraw/zinc/52/65/77/813526577.db2.gz UHOABPIWDFHLMZ-UHFFFAOYSA-N 2 2 299.378 0.946 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC2(C1)CC[N@@H+](Cc1ccc[nH]1)C2 ZINC001269840940 813526582 /nfs/dbraw/zinc/52/65/82/813526582.db2.gz UHOABPIWDFHLMZ-UHFFFAOYSA-N 2 2 299.378 0.946 20 0 CCADLP [NH3+]C[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167960808 813631045 /nfs/dbraw/zinc/63/10/45/813631045.db2.gz DKOHEEOCKGMOTC-WTUNAVPPSA-N 3 2 253.390 0.301 20 0 CCADLP [NH3+]C[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167960808 813631050 /nfs/dbraw/zinc/63/10/50/813631050.db2.gz DKOHEEOCKGMOTC-WTUNAVPPSA-N 3 2 253.390 0.301 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001075742310 813687810 /nfs/dbraw/zinc/68/78/10/813687810.db2.gz SFJPBRTWHKZJES-QWHCGFSZSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001075742310 813687816 /nfs/dbraw/zinc/68/78/16/813687816.db2.gz SFJPBRTWHKZJES-QWHCGFSZSA-N 2 2 292.383 0.257 20 0 CCADLP O=C1[C@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CCN1C1CCOCC1 ZINC000428030888 813732802 /nfs/dbraw/zinc/73/28/02/813732802.db2.gz FQRNJKHJEAHDSA-AEGPPILISA-N 2 2 293.411 0.450 20 0 CCADLP O=C1[C@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CCN1C1CCOCC1 ZINC000428030888 813732806 /nfs/dbraw/zinc/73/28/06/813732806.db2.gz FQRNJKHJEAHDSA-AEGPPILISA-N 2 2 293.411 0.450 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]CC1CC1 ZINC001270550246 813806470 /nfs/dbraw/zinc/80/64/70/813806470.db2.gz CNOOLRXJDVDNOL-JTQLQIEISA-N 2 2 250.346 0.704 20 0 CCADLP C[C@H](C[NH2+]CCCO)N(C)C(=O)CCc1[nH+]ccn1C ZINC001271052879 814130843 /nfs/dbraw/zinc/13/08/43/814130843.db2.gz ZASOXJCMYCATEM-GFCCVEGCSA-N 2 2 282.388 0.172 20 0 CCADLP C[C@@H](C[NH2+]CCCO)N(C)C(=O)CCc1[nH+]ccn1C ZINC001271052880 814130862 /nfs/dbraw/zinc/13/08/62/814130862.db2.gz ZASOXJCMYCATEM-LBPRGKRZSA-N 2 2 282.388 0.172 20 0 CCADLP CC[NH+]1CCC(CC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC001271067162 814135170 /nfs/dbraw/zinc/13/51/70/814135170.db2.gz LISSBWRMYQOFAG-GJZGRUSLSA-N 2 2 295.427 0.650 20 0 CCADLP CC[NH+]1CCC(CC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC001271067162 814135175 /nfs/dbraw/zinc/13/51/75/814135175.db2.gz LISSBWRMYQOFAG-GJZGRUSLSA-N 2 2 295.427 0.650 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001029393447 814150105 /nfs/dbraw/zinc/15/01/05/814150105.db2.gz MEPKLKPYTKNBRK-BETUJISGSA-N 2 2 280.347 0.836 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001029393447 814150108 /nfs/dbraw/zinc/15/01/08/814150108.db2.gz MEPKLKPYTKNBRK-BETUJISGSA-N 2 2 280.347 0.836 20 0 CCADLP C[C@@H](C(=O)N1CC2(CCN2CCn2cc[nH+]c2)C1)[NH+](C)C ZINC001271146872 814208543 /nfs/dbraw/zinc/20/85/43/814208543.db2.gz HLBNMIOWDFCAHO-ZDUSSCGKSA-N 2 2 291.399 0.120 20 0 CCADLP C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn[nH]c1)[NH+](C)C ZINC001271148371 814210907 /nfs/dbraw/zinc/21/09/07/814210907.db2.gz YBSILUJVBVCPKV-FPMFFAJLSA-N 2 2 291.399 0.535 20 0 CCADLP C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn[nH]c1)[NH+](C)C ZINC001271148371 814210915 /nfs/dbraw/zinc/21/09/15/814210915.db2.gz YBSILUJVBVCPKV-FPMFFAJLSA-N 2 2 291.399 0.535 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CC ZINC001087797510 814214951 /nfs/dbraw/zinc/21/49/51/814214951.db2.gz SRFSOLGLAIAFPK-QWHCGFSZSA-N 2 2 264.373 0.952 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1CC ZINC001087797510 814214968 /nfs/dbraw/zinc/21/49/68/814214968.db2.gz SRFSOLGLAIAFPK-QWHCGFSZSA-N 2 2 264.373 0.952 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCF)C1 ZINC001029582724 814452297 /nfs/dbraw/zinc/45/22/97/814452297.db2.gz BPBFBGSXBAUURA-RWMBFGLXSA-N 2 2 269.364 0.583 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCF)C1 ZINC001029582724 814452301 /nfs/dbraw/zinc/45/23/01/814452301.db2.gz BPBFBGSXBAUURA-RWMBFGLXSA-N 2 2 269.364 0.583 20 0 CCADLP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCF)C1 ZINC001029582724 814452304 /nfs/dbraw/zinc/45/23/04/814452304.db2.gz BPBFBGSXBAUURA-RWMBFGLXSA-N 2 2 269.364 0.583 20 0 CCADLP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCF)C1 ZINC001029582724 814452308 /nfs/dbraw/zinc/45/23/08/814452308.db2.gz BPBFBGSXBAUURA-RWMBFGLXSA-N 2 2 269.364 0.583 20 0 CCADLP CC[N@H+]1CCN(CC[NH+]2CCOC[C@@H]2C)C[C@H]1C ZINC001168208904 814908943 /nfs/dbraw/zinc/90/89/43/814908943.db2.gz XEVOKQKLWMOICF-KGLIPLIRSA-N 2 2 255.406 0.733 20 0 CCADLP CC[NH+]1CCN(CC[N@@H+]2CCOC[C@@H]2C)C[C@H]1C ZINC001168208904 814908948 /nfs/dbraw/zinc/90/89/48/814908948.db2.gz XEVOKQKLWMOICF-KGLIPLIRSA-N 2 2 255.406 0.733 20 0 CCADLP CC[NH+]1CCN(CC[N@H+]2CCOC[C@@H]2C)C[C@H]1C ZINC001168208904 814908952 /nfs/dbraw/zinc/90/89/52/814908952.db2.gz XEVOKQKLWMOICF-KGLIPLIRSA-N 2 2 255.406 0.733 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](CC2CC(F)(F)C2)C1 ZINC001030160816 815850841 /nfs/dbraw/zinc/85/08/41/815850841.db2.gz HGZMDEDBRIRQLG-LBPRGKRZSA-N 2 2 287.354 0.926 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](CC2CC(F)(F)C2)C1 ZINC001030160816 815850847 /nfs/dbraw/zinc/85/08/47/815850847.db2.gz HGZMDEDBRIRQLG-LBPRGKRZSA-N 2 2 287.354 0.926 20 0 CCADLP CC[NH+]1CC(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001030306762 815969553 /nfs/dbraw/zinc/96/95/53/815969553.db2.gz ZMCCXILHUBUVRF-AAEUAGOBSA-N 2 2 251.374 0.681 20 0 CCADLP CC[NH+]1CC(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001030306762 815969557 /nfs/dbraw/zinc/96/95/57/815969557.db2.gz ZMCCXILHUBUVRF-AAEUAGOBSA-N 2 2 251.374 0.681 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](C[C@@H](C)OC)C1 ZINC001030400920 816014190 /nfs/dbraw/zinc/01/41/90/816014190.db2.gz IUQAYYQKYPOOMJ-OCCSQVGLSA-N 2 2 283.416 0.696 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](C[C@@H](C)OC)C1 ZINC001030400920 816014197 /nfs/dbraw/zinc/01/41/97/816014197.db2.gz IUQAYYQKYPOOMJ-OCCSQVGLSA-N 2 2 283.416 0.696 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+]([C@H](C)COC)C1 ZINC001030401501 816015428 /nfs/dbraw/zinc/01/54/28/816015428.db2.gz SOKCATDKQIIGIB-OCCSQVGLSA-N 2 2 283.416 0.696 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)NC1C[NH+]([C@H](C)COC)C1 ZINC001030401501 816015433 /nfs/dbraw/zinc/01/54/33/816015433.db2.gz SOKCATDKQIIGIB-OCCSQVGLSA-N 2 2 283.416 0.696 20 0 CCADLP CC(C)CC[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001030516494 816080775 /nfs/dbraw/zinc/08/07/75/816080775.db2.gz HQQKRELQWDPQII-TZMCWYRMSA-N 2 2 283.416 0.552 20 0 CCADLP CC(C)CC[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001030516494 816080780 /nfs/dbraw/zinc/08/07/80/816080780.db2.gz HQQKRELQWDPQII-TZMCWYRMSA-N 2 2 283.416 0.552 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC1C[NH+](CC[C@H](C)F)C1 ZINC001030684160 816215932 /nfs/dbraw/zinc/21/59/32/816215932.db2.gz OAZXWFJWJHRGPD-JTQLQIEISA-N 2 2 268.336 0.740 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001089074120 816234622 /nfs/dbraw/zinc/23/46/22/816234622.db2.gz BTZKBYWYQHTRCW-XQQFMLRXSA-N 2 2 280.372 0.497 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001089074120 816234629 /nfs/dbraw/zinc/23/46/29/816234629.db2.gz BTZKBYWYQHTRCW-XQQFMLRXSA-N 2 2 280.372 0.497 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001030846136 816340681 /nfs/dbraw/zinc/34/06/81/816340681.db2.gz ZTYKAISEZIIHIQ-AVGNSLFASA-N 2 2 283.416 0.552 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001030846136 816340687 /nfs/dbraw/zinc/34/06/87/816340687.db2.gz ZTYKAISEZIIHIQ-AVGNSLFASA-N 2 2 283.416 0.552 20 0 CCADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001122017437 816537930 /nfs/dbraw/zinc/53/79/30/816537930.db2.gz MRLMTESGZCWPSO-QJPTWQEYSA-N 2 2 262.357 0.654 20 0 CCADLP CC(C)=CC[NH2+]C[C@H](O)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001272529609 816554226 /nfs/dbraw/zinc/55/42/26/816554226.db2.gz MDCSSQJGXXHHNP-KBPBESRZSA-N 2 2 294.399 0.867 20 0 CCADLP O=C(NC1C[NH+](CCCO)C1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001031084196 816633508 /nfs/dbraw/zinc/63/35/08/816633508.db2.gz XUVGZNLKGFLVSV-UONOGXRCSA-N 2 2 281.400 0.186 20 0 CCADLP O=C(NC1C[NH+](CCCO)C1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001031084196 816633511 /nfs/dbraw/zinc/63/35/11/816633511.db2.gz XUVGZNLKGFLVSV-UONOGXRCSA-N 2 2 281.400 0.186 20 0 CCADLP COCC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001106499000 816790940 /nfs/dbraw/zinc/79/09/40/816790940.db2.gz WWGDPEUAMVDPBK-ZIAGYGMSSA-N 2 2 294.399 0.604 20 0 CCADLP [NH3+]Cc1cccc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1 ZINC001235061745 816801044 /nfs/dbraw/zinc/80/10/44/816801044.db2.gz NKQUQDFFAKBUMP-HNNXBMFYSA-N 3 2 260.385 0.283 20 0 CCADLP [NH3+]Cc1cccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1 ZINC001235061745 816801050 /nfs/dbraw/zinc/80/10/50/816801050.db2.gz NKQUQDFFAKBUMP-HNNXBMFYSA-N 3 2 260.385 0.283 20 0 CCADLP CC[C@@H](C[NH+]1CC(NC(=O)C[NH+]2CCCC2)C1)OC ZINC001031389390 817023701 /nfs/dbraw/zinc/02/37/01/817023701.db2.gz NRMVJXLBAVYFLQ-ZDUSSCGKSA-N 2 2 269.389 0.308 20 0 CCADLP CCCC[NH+]1CC(NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001031415238 817041951 /nfs/dbraw/zinc/04/19/51/817041951.db2.gz SMKGNTGWLSDZDQ-ZDUSSCGKSA-N 2 2 269.389 0.308 20 0 CCADLP CCCC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001031415238 817041957 /nfs/dbraw/zinc/04/19/57/817041957.db2.gz SMKGNTGWLSDZDQ-ZDUSSCGKSA-N 2 2 269.389 0.308 20 0 CCADLP CC[C@@H](F)C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001031597128 817173077 /nfs/dbraw/zinc/17/30/77/817173077.db2.gz UVINAKCBSHEUJG-OLZOCXBDSA-N 2 2 287.379 0.113 20 0 CCADLP CC[C@@H](F)C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001031597128 817173081 /nfs/dbraw/zinc/17/30/81/817173081.db2.gz UVINAKCBSHEUJG-OLZOCXBDSA-N 2 2 287.379 0.113 20 0 CCADLP CC[NH+]1CC(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001031779133 817359873 /nfs/dbraw/zinc/35/98/73/817359873.db2.gz KSUIBXIMONBCGD-LBPRGKRZSA-N 2 2 262.357 0.513 20 0 CCADLP CCC[NH+]1CC(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001031782896 817364863 /nfs/dbraw/zinc/36/48/63/817364863.db2.gz PBTCAUVOIMYSTC-ZDUSSCGKSA-N 2 2 276.384 0.904 20 0 CCADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C[NH2+]CCO ZINC001107075711 817715796 /nfs/dbraw/zinc/71/57/96/817715796.db2.gz BITDHFHENBMFDK-ZIAGYGMSSA-N 2 2 294.399 0.340 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc3c(n2)CCOC3)CC1 ZINC001168734856 818530482 /nfs/dbraw/zinc/53/04/82/818530482.db2.gz CIEMAEBVPSPYQP-UHFFFAOYSA-N 2 2 275.356 0.748 20 0 CCADLP Cc1nc(C)c(NC(=[NH2+])N2CC[NH+](C)CC2)nc1C ZINC001168735917 818540923 /nfs/dbraw/zinc/54/09/23/818540923.db2.gz IDFDFMCOFNMESV-UHFFFAOYSA-N 2 2 262.361 0.996 20 0 CCADLP CN1c2ccc(NC(=[NH2+])N3CC[NH+](C)CC3)cc2CC1=O ZINC001168736368 818546494 /nfs/dbraw/zinc/54/64/94/818546494.db2.gz LGWPJNDAEYTZEM-UHFFFAOYSA-N 2 2 287.367 0.800 20 0 CCADLP Cc1cnc2ncc(NC(=[NH2+])N3CC[NH+](C)CC3)cc2n1 ZINC001168736934 818555977 /nfs/dbraw/zinc/55/59/77/818555977.db2.gz SHADKPCBCGPJQO-UHFFFAOYSA-N 2 2 285.355 0.927 20 0 CCADLP CCOC(=O)c1ncc(NC(=[NH2+])N2CC[NH+](C)CC2)cn1 ZINC001168737090 818557373 /nfs/dbraw/zinc/55/73/73/818557373.db2.gz OUCJYVGZOCTIKV-UHFFFAOYSA-N 2 2 292.343 0.247 20 0 CCADLP CCCOc1nccnc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168737056 818557647 /nfs/dbraw/zinc/55/76/47/818557647.db2.gz UMFOADPQKQRBNP-UHFFFAOYSA-N 2 2 278.360 0.859 20 0 CCADLP CCOC(=O)c1ccnc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001168740896 818608621 /nfs/dbraw/zinc/60/86/21/818608621.db2.gz QZSYVCGWAVCLOD-UHFFFAOYSA-N 2 2 292.343 0.247 20 0 CCADLP COC(=O)C1(C)CCC([NH2+][C@@H]2COC[C@H]2[NH3+])CC1 ZINC001168752322 818717181 /nfs/dbraw/zinc/71/71/81/818717181.db2.gz IUIXESJZMUEPPR-QRVCZOOMSA-N 2 2 256.346 0.424 20 0 CCADLP C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H]1CC[NH+](CCF)C1 ZINC001033422724 818770119 /nfs/dbraw/zinc/77/01/19/818770119.db2.gz IKIOUTRCYFAXQQ-QWHCGFSZSA-N 2 2 271.380 0.973 20 0 CCADLP C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@@H]1CC[NH+](CCF)C1 ZINC001033422724 818770127 /nfs/dbraw/zinc/77/01/27/818770127.db2.gz IKIOUTRCYFAXQQ-QWHCGFSZSA-N 2 2 271.380 0.973 20 0 CCADLP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@H+](CCF)C1 ZINC001033422724 818770133 /nfs/dbraw/zinc/77/01/33/818770133.db2.gz IKIOUTRCYFAXQQ-QWHCGFSZSA-N 2 2 271.380 0.973 20 0 CCADLP C[C@H]1CCC[NH+]1CC(=O)N(C)[C@@H]1CC[N@@H+](CCF)C1 ZINC001033422724 818770141 /nfs/dbraw/zinc/77/01/41/818770141.db2.gz IKIOUTRCYFAXQQ-QWHCGFSZSA-N 2 2 271.380 0.973 20 0 CCADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001033591122 818841337 /nfs/dbraw/zinc/84/13/37/818841337.db2.gz SWWFDXGEUAYCAI-ZDUSSCGKSA-N 2 2 276.384 0.905 20 0 CCADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001033591122 818841340 /nfs/dbraw/zinc/84/13/40/818841340.db2.gz SWWFDXGEUAYCAI-ZDUSSCGKSA-N 2 2 276.384 0.905 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033593541 818842678 /nfs/dbraw/zinc/84/26/78/818842678.db2.gz HVVVXLHKJRTRGH-CHWSQXEVSA-N 2 2 294.399 0.530 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033593541 818842680 /nfs/dbraw/zinc/84/26/80/818842680.db2.gz HVVVXLHKJRTRGH-CHWSQXEVSA-N 2 2 294.399 0.530 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+]CC1CCC1 ZINC001128967716 819236237 /nfs/dbraw/zinc/23/62/37/819236237.db2.gz YSJUSUAZWGJVFG-UHFFFAOYSA-N 2 2 250.346 0.848 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC[NH2+]CC1CCC1 ZINC001128967716 819236243 /nfs/dbraw/zinc/23/62/43/819236243.db2.gz YSJUSUAZWGJVFG-UHFFFAOYSA-N 2 2 250.346 0.848 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547611 819240550 /nfs/dbraw/zinc/24/05/50/819240550.db2.gz VZSLHNNVBKZQDZ-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP CO[C@@H](C)C[N@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547611 819240555 /nfs/dbraw/zinc/24/05/55/819240555.db2.gz VZSLHNNVBKZQDZ-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CCF ZINC001036209508 819706481 /nfs/dbraw/zinc/70/64/81/819706481.db2.gz YHGGSPKFQGTVJD-JQWIXIFHSA-N 2 2 268.336 0.748 20 0 CCADLP OC[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)[C@@H]1CO ZINC000709782654 819809667 /nfs/dbraw/zinc/80/96/67/819809667.db2.gz DIELKGADLHLKSM-QWHCGFSZSA-N 2 2 253.346 0.338 20 0 CCADLP OC[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)[C@@H]1CO ZINC000709782654 819809671 /nfs/dbraw/zinc/80/96/71/819809671.db2.gz DIELKGADLHLKSM-QWHCGFSZSA-N 2 2 253.346 0.338 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1C(F)(F)F ZINC000709873813 819814941 /nfs/dbraw/zinc/81/49/41/819814941.db2.gz JTCVNXKWTQGACR-RKDXNWHRSA-N 2 2 293.289 0.204 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C(F)(F)F ZINC000709873813 819814945 /nfs/dbraw/zinc/81/49/45/819814945.db2.gz JTCVNXKWTQGACR-RKDXNWHRSA-N 2 2 293.289 0.204 20 0 CCADLP Cc1cc(C[NH+]2CCC(O)(C[NH+](C)C)CC2)no1 ZINC000710671173 819863728 /nfs/dbraw/zinc/86/37/28/819863728.db2.gz DYGVOHSFRIXZIT-UHFFFAOYSA-N 2 2 253.346 0.872 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001080010935 820498688 /nfs/dbraw/zinc/49/86/88/820498688.db2.gz SOAOXUVSHBUDDZ-ZWNOBZJWSA-N 2 2 280.372 0.806 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001080010935 820498696 /nfs/dbraw/zinc/49/86/96/820498696.db2.gz SOAOXUVSHBUDDZ-ZWNOBZJWSA-N 2 2 280.372 0.806 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001081038279 820671704 /nfs/dbraw/zinc/67/17/04/820671704.db2.gz WDDWYGSBDMLYIZ-HZSPNIEDSA-N 2 2 292.383 0.356 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001081038279 820671710 /nfs/dbraw/zinc/67/17/10/820671710.db2.gz WDDWYGSBDMLYIZ-HZSPNIEDSA-N 2 2 292.383 0.356 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001084686911 821350782 /nfs/dbraw/zinc/35/07/82/821350782.db2.gz BWFMMJFJYMKYNC-YRGRVCCFSA-N 2 2 292.383 0.520 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](CCF)[C@H]3C2)C1 ZINC001084911393 821430123 /nfs/dbraw/zinc/43/01/23/821430123.db2.gz ZIWFBKMBMKSPSP-RDBSUJKOSA-N 2 2 299.390 0.209 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[NH+](CCF)[C@H]3C2)C1 ZINC001084911393 821430126 /nfs/dbraw/zinc/43/01/26/821430126.db2.gz ZIWFBKMBMKSPSP-RDBSUJKOSA-N 2 2 299.390 0.209 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@H+](CCF)[C@H]3C2)C1 ZINC001084911393 821430130 /nfs/dbraw/zinc/43/01/30/821430130.db2.gz ZIWFBKMBMKSPSP-RDBSUJKOSA-N 2 2 299.390 0.209 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CCF)[C@H]3C2)C1 ZINC001084911393 821430133 /nfs/dbraw/zinc/43/01/33/821430133.db2.gz ZIWFBKMBMKSPSP-RDBSUJKOSA-N 2 2 299.390 0.209 20 0 CCADLP CN(C[C@H]1CC[N@@H+]1CCCF)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001085531527 821772078 /nfs/dbraw/zinc/77/20/78/821772078.db2.gz VIYPTHVAKWETOO-OLZOCXBDSA-N 2 2 287.379 0.209 20 0 CCADLP CN(C[C@H]1CC[N@H+]1CCCF)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001085531527 821772085 /nfs/dbraw/zinc/77/20/85/821772085.db2.gz VIYPTHVAKWETOO-OLZOCXBDSA-N 2 2 287.379 0.209 20 0 CCADLP CN(C[C@H]1CC[NH+]1CCCF)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001085531527 821772091 /nfs/dbraw/zinc/77/20/91/821772091.db2.gz VIYPTHVAKWETOO-OLZOCXBDSA-N 2 2 287.379 0.209 20 0 CCADLP CN(C[C@H]1CC[NH+]1CCCF)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001085531527 821772098 /nfs/dbraw/zinc/77/20/98/821772098.db2.gz VIYPTHVAKWETOO-OLZOCXBDSA-N 2 2 287.379 0.209 20 0 CCADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000828635164 821792472 /nfs/dbraw/zinc/79/24/72/821792472.db2.gz FEZXUNKGEBDLAM-XHDPSFHLSA-N 2 2 291.351 0.126 20 0 CCADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000828635164 821792475 /nfs/dbraw/zinc/79/24/75/821792475.db2.gz FEZXUNKGEBDLAM-XHDPSFHLSA-N 2 2 291.351 0.126 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001085676544 821887779 /nfs/dbraw/zinc/88/77/79/821887779.db2.gz SDOMCMYYBAPGHH-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001085676544 821887791 /nfs/dbraw/zinc/88/77/91/821887791.db2.gz SDOMCMYYBAPGHH-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C)c1csnn1 ZINC001129444302 837507325 /nfs/dbraw/zinc/50/73/25/837507325.db2.gz QTVMYPJIUODGLR-CABZTGNLSA-N 2 2 297.428 0.645 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C)c1csnn1 ZINC001129444301 837507537 /nfs/dbraw/zinc/50/75/37/837507537.db2.gz QTVMYPJIUODGLR-BXKDBHETSA-N 2 2 297.428 0.645 20 0 CCADLP C[N@H+](CC(=O)NCC[NH2+]Cc1nncs1)C1CCC1 ZINC001129532136 837522202 /nfs/dbraw/zinc/52/22/02/837522202.db2.gz SAKVEWQCWVOGCF-UHFFFAOYSA-N 2 2 283.401 0.228 20 0 CCADLP C[N@@H+](CC(=O)NCC[NH2+]Cc1nncs1)C1CCC1 ZINC001129532136 837522211 /nfs/dbraw/zinc/52/22/11/837522211.db2.gz SAKVEWQCWVOGCF-UHFFFAOYSA-N 2 2 283.401 0.228 20 0 CCADLP C[C@H](O)CCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129891103 837576940 /nfs/dbraw/zinc/57/69/40/837576940.db2.gz CGHUDEZGGLLPNJ-QJPTWQEYSA-N 2 2 280.372 0.380 20 0 CCADLP C[C@H](O)CCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129891103 837576950 /nfs/dbraw/zinc/57/69/50/837576950.db2.gz CGHUDEZGGLLPNJ-QJPTWQEYSA-N 2 2 280.372 0.380 20 0 CCADLP COC[C@@H]1CCCCN1C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001157922486 837702310 /nfs/dbraw/zinc/70/23/10/837702310.db2.gz OVOATGIOOPNZBO-NWDGAFQWSA-N 2 2 266.345 0.307 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2cscn2)O1 ZINC001130184408 837722504 /nfs/dbraw/zinc/72/25/04/837722504.db2.gz OZGPAPFUHHRRGF-ZYHUDNBSSA-N 2 2 298.412 0.068 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2cscn2)O1 ZINC001130184408 837722508 /nfs/dbraw/zinc/72/25/08/837722508.db2.gz OZGPAPFUHHRRGF-ZYHUDNBSSA-N 2 2 298.412 0.068 20 0 CCADLP CCc1noc(C[NH2+]CCNC(=O)[C@@H](CC)[NH+](C)C)n1 ZINC001130205663 837728212 /nfs/dbraw/zinc/72/82/12/837728212.db2.gz RRFZVVRLOFXKQT-SNVBAGLBSA-N 2 2 283.376 0.178 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)[C@H]2CCCC[N@@H+]2C)co1 ZINC001130300392 837757246 /nfs/dbraw/zinc/75/72/46/837757246.db2.gz OCJODERDNYMOQO-CYBMUJFWSA-N 2 2 280.372 0.673 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@H]2CCCC[N@@H+]2C)[nH]1 ZINC001130300353 837757492 /nfs/dbraw/zinc/75/74/92/837757492.db2.gz NCQFFSNKJQLJOA-CMPLNLGQSA-N 2 2 294.403 0.364 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@H]2CCCC[N@H+]2C)[nH]1 ZINC001130300353 837757499 /nfs/dbraw/zinc/75/74/99/837757499.db2.gz NCQFFSNKJQLJOA-CMPLNLGQSA-N 2 2 294.403 0.364 20 0 CCADLP Cc1nonc1C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001130297817 837753288 /nfs/dbraw/zinc/75/32/88/837753288.db2.gz SNBBGYFLHUTVDP-GFCCVEGCSA-N 2 2 281.360 0.068 20 0 CCADLP Cc1nonc1C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130297817 837753293 /nfs/dbraw/zinc/75/32/93/837753293.db2.gz SNBBGYFLHUTVDP-GFCCVEGCSA-N 2 2 281.360 0.068 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)[C@H]2CCCC[N@H+]2C)co1 ZINC001130300392 837757241 /nfs/dbraw/zinc/75/72/41/837757241.db2.gz OCJODERDNYMOQO-CYBMUJFWSA-N 2 2 280.372 0.673 20 0 CCADLP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001130419336 837794609 /nfs/dbraw/zinc/79/46/09/837794609.db2.gz VXCDQLOGCRMNQN-UHFFFAOYSA-N 2 2 293.415 0.721 20 0 CCADLP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001130419336 837794614 /nfs/dbraw/zinc/79/46/14/837794614.db2.gz VXCDQLOGCRMNQN-UHFFFAOYSA-N 2 2 293.415 0.721 20 0 CCADLP COC[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130488361 837810043 /nfs/dbraw/zinc/81/00/43/837810043.db2.gz PUFJDSMXEWDAJE-NWDGAFQWSA-N 2 2 280.372 0.186 20 0 CCADLP O=C(NCC[NH2+]C[C@H]1CCOC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130488095 837811327 /nfs/dbraw/zinc/81/13/27/837811327.db2.gz MVPIINFIXFNULV-CHWSQXEVSA-N 2 2 292.383 0.188 20 0 CCADLP Cc1nc(NC[C@H](C)NC(=O)C[NH+]2CCCC2)cc[nH+]1 ZINC001108384902 835998068 /nfs/dbraw/zinc/99/80/68/835998068.db2.gz IPRBELZHVNDOMX-NSHDSACASA-N 2 2 277.372 0.797 20 0 CCADLP CCC[N@H+]1CCO[C@@](C)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001108401814 836016094 /nfs/dbraw/zinc/01/60/94/836016094.db2.gz UYKFOIPWDUKOIE-HNNXBMFYSA-N 2 2 294.399 0.809 20 0 CCADLP Cc1ccc2c(c1)ncnc2-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169066704 836122428 /nfs/dbraw/zinc/12/24/28/836122428.db2.gz GJUSMXVKTIWUTG-LLVKDONJSA-N 2 2 283.335 0.986 20 0 CCADLP COc1ccnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1F ZINC001169071934 836125130 /nfs/dbraw/zinc/12/51/30/836125130.db2.gz IKKSMRRBKNHKKL-MRVPVSSYSA-N 2 2 266.276 0.277 20 0 CCADLP CCc1ncc(F)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169072681 836125470 /nfs/dbraw/zinc/12/54/70/836125470.db2.gz RMBZBKQQIUCLJS-MRVPVSSYSA-N 2 2 265.292 0.226 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1c(Cl)ncnc1Cl ZINC001169073435 836126887 /nfs/dbraw/zinc/12/68/87/836126887.db2.gz HJBRKJCOPJFJHW-ZCFIWIBFSA-N 2 2 288.138 0.831 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc(C(F)(F)F)ncn1 ZINC001169075454 836128272 /nfs/dbraw/zinc/12/82/72/836128272.db2.gz YTGYAIVDNFZFGZ-SSDOTTSWSA-N 2 2 287.245 0.543 20 0 CCADLP COc1cccc(N)c1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169075684 836128824 /nfs/dbraw/zinc/12/88/24/836128824.db2.gz VGTUGHVWDIBCGQ-SECBINFHSA-N 2 2 262.313 0.325 20 0 CCADLP Cc1nc2c(ncc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)c2C)[nH]1 ZINC001169076404 836129736 /nfs/dbraw/zinc/12/97/36/836129736.db2.gz SAHSACCESGINLJ-SNVBAGLBSA-N 2 2 286.339 0.623 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)C2 ZINC001169098391 836130178 /nfs/dbraw/zinc/13/01/78/836130178.db2.gz HCWXHKQSSUFKLF-FVCCEPFGSA-N 2 2 272.414 0.636 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)C2 ZINC001169098391 836130181 /nfs/dbraw/zinc/13/01/81/836130181.db2.gz HCWXHKQSSUFKLF-FVCCEPFGSA-N 2 2 272.414 0.636 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCS(C)(=O)=O)C2 ZINC001169089897 836135002 /nfs/dbraw/zinc/13/50/02/836135002.db2.gz GLMLLZHXYVIMSP-CNDDSTCGSA-N 2 2 260.403 0.636 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCCS(C)(=O)=O)C2 ZINC001169089897 836135006 /nfs/dbraw/zinc/13/50/06/836135006.db2.gz GLMLLZHXYVIMSP-CNDDSTCGSA-N 2 2 260.403 0.636 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(N[C@H]3COC(=O)C3)c2)C1 ZINC001169123160 836140240 /nfs/dbraw/zinc/14/02/40/836140240.db2.gz AJKDRWTUEQOYGQ-TZMCWYRMSA-N 2 2 275.352 0.947 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(N[C@H]3COC(=O)C3)c2)C1 ZINC001169123160 836140243 /nfs/dbraw/zinc/14/02/43/836140243.db2.gz AJKDRWTUEQOYGQ-TZMCWYRMSA-N 2 2 275.352 0.947 20 0 CCADLP CCOC(=O)CN1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169126425 836141558 /nfs/dbraw/zinc/14/15/58/836141558.db2.gz SXLUJTVHZFTRFG-QDMKHBRRSA-N 2 2 295.427 0.792 20 0 CCADLP CCOC(=O)CN1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169126425 836141565 /nfs/dbraw/zinc/14/15/65/836141565.db2.gz SXLUJTVHZFTRFG-QDMKHBRRSA-N 2 2 295.427 0.792 20 0 CCADLP CN(C)C(=O)C[NH+]1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169141034 836152486 /nfs/dbraw/zinc/15/24/86/836152486.db2.gz OGJRDZUMVILPLZ-FICVDOATSA-N 2 2 294.443 0.317 20 0 CCADLP CN(C)C(=O)C[NH+]1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169141034 836152490 /nfs/dbraw/zinc/15/24/90/836152490.db2.gz OGJRDZUMVILPLZ-FICVDOATSA-N 2 2 294.443 0.317 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN3C(=O)CC[C@@H]3C1)C2 ZINC001169144027 836153671 /nfs/dbraw/zinc/15/36/71/836153671.db2.gz HYOZEOVRWZHRDK-RQJABVFESA-N 2 2 263.385 0.918 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN3C(=O)CC[C@@H]3C1)C2 ZINC001169144027 836153673 /nfs/dbraw/zinc/15/36/73/836153673.db2.gz HYOZEOVRWZHRDK-RQJABVFESA-N 2 2 263.385 0.918 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCN3C(=O)CC[C@@H]3C1)C2 ZINC001169144027 836153674 /nfs/dbraw/zinc/15/36/74/836153674.db2.gz HYOZEOVRWZHRDK-RQJABVFESA-N 2 2 263.385 0.918 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCN3C(=O)CC[C@@H]3C1)C2 ZINC001169144027 836153677 /nfs/dbraw/zinc/15/36/77/836153677.db2.gz HYOZEOVRWZHRDK-RQJABVFESA-N 2 2 263.385 0.918 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]CCOCC1CC1 ZINC001169212164 836160025 /nfs/dbraw/zinc/16/00/25/836160025.db2.gz QOMOVPAUNJFXRJ-UHFFFAOYSA-N 2 2 280.372 0.475 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]CC[C@@H]1CCOC1 ZINC001169212511 836161759 /nfs/dbraw/zinc/16/17/59/836161759.db2.gz UWAGEWCSWSEJDS-GFCCVEGCSA-N 2 2 280.372 0.475 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]Cc1cnns1 ZINC001169212209 836161896 /nfs/dbraw/zinc/16/18/96/836161896.db2.gz RMSPIWJURRVTJX-UHFFFAOYSA-N 2 2 280.357 0.100 20 0 CCADLP CC[NH+]1CCC([N@@H+]2CCO[C@]3(CCOC3)C2)CC1 ZINC001169245517 836173975 /nfs/dbraw/zinc/17/39/75/836173975.db2.gz GNIZZODBZPGHEV-CQSZACIVSA-N 2 2 254.374 0.962 20 0 CCADLP CC[NH+]1CCC([N@H+]2CCO[C@]3(CCOC3)C2)CC1 ZINC001169245517 836173977 /nfs/dbraw/zinc/17/39/77/836173977.db2.gz GNIZZODBZPGHEV-CQSZACIVSA-N 2 2 254.374 0.962 20 0 CCADLP CCOC(=O)C1(N/C(C)=C/C=C/[NH3+])CC[NH+](C)CC1 ZINC001169491642 836321640 /nfs/dbraw/zinc/32/16/40/836321640.db2.gz LTKRJVUKYSLVEJ-BGNLXQKFSA-N 2 2 267.373 0.980 20 0 CCADLP CC(=O)N1CC[C@@H]([NH+]2CCC([NH+]3CCC3)CC2)C1 ZINC001169564910 836354940 /nfs/dbraw/zinc/35/49/40/836354940.db2.gz IFFLCAGKYXWIDQ-CQSZACIVSA-N 2 2 251.374 0.777 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNc1ncccc1N1CC[NH2+]CC1 ZINC001169651451 836405327 /nfs/dbraw/zinc/40/53/27/836405327.db2.gz OZDOLSGMDKZMHJ-CYBMUJFWSA-N 2 2 291.399 0.234 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNc1ncccc1N1CC[NH2+]CC1 ZINC001169651451 836405330 /nfs/dbraw/zinc/40/53/30/836405330.db2.gz OZDOLSGMDKZMHJ-CYBMUJFWSA-N 2 2 291.399 0.234 20 0 CCADLP CS(=O)(=O)C1CCC(n2cc[nH+]c2CC[NH3+])CC1 ZINC001169857857 836463264 /nfs/dbraw/zinc/46/32/64/836463264.db2.gz QSKFQGUVSKYGEV-UHFFFAOYSA-N 2 2 271.386 0.913 20 0 CCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[NH+](CCCO)CC1 ZINC001112906480 836959083 /nfs/dbraw/zinc/95/90/83/836959083.db2.gz FEDOVVHLCQQHQE-CYBMUJFWSA-N 2 2 289.395 0.193 20 0 CCADLP C[NH+](C)CCCC(=O)N1CC[NH+](CCOCC2CC2)CC1 ZINC001113277359 837077411 /nfs/dbraw/zinc/07/74/11/837077411.db2.gz KGLTXOPGSLHDNO-UHFFFAOYSA-N 2 2 297.443 0.899 20 0 CCADLP C[NH+](C)CCC(=O)N1CC[NH+](CCOCC2CCC2)CC1 ZINC001113300391 837080264 /nfs/dbraw/zinc/08/02/64/837080264.db2.gz UEPQGNIOCYCCNZ-UHFFFAOYSA-N 2 2 297.443 0.899 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC001113686825 837199285 /nfs/dbraw/zinc/19/92/85/837199285.db2.gz XBUUNLZYSCDVDD-UHFFFAOYSA-N 2 2 293.415 0.405 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC001113686825 837199289 /nfs/dbraw/zinc/19/92/89/837199289.db2.gz XBUUNLZYSCDVDD-UHFFFAOYSA-N 2 2 293.415 0.405 20 0 CCADLP Cc1nc(N(C)[C@@H](C)CNC(=O)CC[NH+](C)C)cc[nH+]1 ZINC001113847790 837340573 /nfs/dbraw/zinc/34/05/73/837340573.db2.gz QBNCJNZOPGARTH-NSHDSACASA-N 2 2 279.388 0.678 20 0 CCADLP Cc1nc(NCCN(C)CC[NH3+])c2c([nH+]1)CCCC2 ZINC001170499885 837842409 /nfs/dbraw/zinc/84/24/09/837842409.db2.gz XWQNPOYTHBAGOR-UHFFFAOYSA-N 2 2 263.389 0.966 20 0 CCADLP COCCOc1cc(NCCOCCOCC[NH3+])cc[nH+]1 ZINC001170512829 837924175 /nfs/dbraw/zinc/92/41/75/837924175.db2.gz OPYFFAMAFHAYFH-UHFFFAOYSA-N 2 2 299.371 0.511 20 0 CCADLP CN(C)c1nc(Cl)cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158203861 837980359 /nfs/dbraw/zinc/98/03/59/837980359.db2.gz RMLPMKXESQOROG-MRVPVSSYSA-N 2 2 296.762 0.244 20 0 CCADLP C[C@@H](Nc1cc2c(c[nH+]1)OCC(=O)N2)[C@@H]1C[NH2+]CCO1 ZINC001170561388 838098932 /nfs/dbraw/zinc/09/89/32/838098932.db2.gz DVUDRMDCTLCXII-SCZZXKLOSA-N 2 2 278.312 0.201 20 0 CCADLP CC[C@@H](F)C[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131653353 838166999 /nfs/dbraw/zinc/16/69/99/838166999.db2.gz QAOPXLAPVMFGLT-LLVKDONJSA-N 2 2 270.352 0.807 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]CC[C@H]1CCCO1 ZINC001131652217 838167264 /nfs/dbraw/zinc/16/72/64/838167264.db2.gz DKVCOLDLVGRORX-CYBMUJFWSA-N 2 2 294.399 0.628 20 0 CCADLP CCOCC[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131656020 838171556 /nfs/dbraw/zinc/17/15/56/838171556.db2.gz HZZXUXCCFSDUNJ-UHFFFAOYSA-N 2 2 268.361 0.095 20 0 CCADLP C[C@H]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@@H+]1CCCO ZINC001132026099 838304647 /nfs/dbraw/zinc/30/46/47/838304647.db2.gz ZIUSYWZCMGHNJH-QWHCGFSZSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@H]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@H+]1CCCO ZINC001132026099 838304653 /nfs/dbraw/zinc/30/46/53/838304653.db2.gz ZIUSYWZCMGHNJH-QWHCGFSZSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@H](O)CCC[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132081991 838312411 /nfs/dbraw/zinc/31/24/11/838312411.db2.gz HWNCIPIXFFVYKD-LBPRGKRZSA-N 2 2 268.361 0.140 20 0 CCADLP Cc1oncc1C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132079850 838313230 /nfs/dbraw/zinc/31/32/30/838313230.db2.gz PLVMNSMQGVVEDK-UHFFFAOYSA-N 2 2 277.328 0.476 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]CC1CCOCC1 ZINC001132082623 838314028 /nfs/dbraw/zinc/31/40/28/838314028.db2.gz RQQLOONYTSJUBC-UHFFFAOYSA-N 2 2 280.372 0.406 20 0 CCADLP C[C@@H](F)CC[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132082451 838314564 /nfs/dbraw/zinc/31/45/64/838314564.db2.gz PBHKYGLCKUMOQF-LLVKDONJSA-N 2 2 256.325 0.727 20 0 CCADLP CC1(C)CO[C@H](C[NH2+]CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001132082566 838314766 /nfs/dbraw/zinc/31/47/66/838314766.db2.gz RJFKMAAJJHDKAW-ZDUSSCGKSA-N 2 2 294.399 0.794 20 0 CCADLP COCCC[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132082361 838315251 /nfs/dbraw/zinc/31/52/51/838315251.db2.gz MJCMTASFLVUJKI-UHFFFAOYSA-N 2 2 254.334 0.016 20 0 CCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[NH+](CC(N)=O)C1 ZINC001132153314 838326306 /nfs/dbraw/zinc/32/63/06/838326306.db2.gz PZUQRQZGZCGWFM-RYUDHWBXSA-N 2 2 298.431 0.171 20 0 CCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[NH+](CC(N)=O)C1 ZINC001132153314 838326312 /nfs/dbraw/zinc/32/63/12/838326312.db2.gz PZUQRQZGZCGWFM-RYUDHWBXSA-N 2 2 298.431 0.171 20 0 CCADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(N)=O)C1 ZINC001132153314 838326323 /nfs/dbraw/zinc/32/63/23/838326323.db2.gz PZUQRQZGZCGWFM-RYUDHWBXSA-N 2 2 298.431 0.171 20 0 CCADLP C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C[NH2+]CCO ZINC001132874420 838511512 /nfs/dbraw/zinc/51/15/12/838511512.db2.gz HWDOVRZLLYZPBV-QWHCGFSZSA-N 2 2 294.399 0.409 20 0 CCADLP C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCO ZINC001132874420 838511519 /nfs/dbraw/zinc/51/15/19/838511519.db2.gz HWDOVRZLLYZPBV-QWHCGFSZSA-N 2 2 294.399 0.409 20 0 CCADLP C[NH+](C)CC1(C(=O)NCC[NH2+]Cc2cnsn2)CC1 ZINC001132993244 838533334 /nfs/dbraw/zinc/53/33/34/838533334.db2.gz PMTFRYNHDWTKPC-UHFFFAOYSA-N 2 2 283.401 0.086 20 0 CCADLP CC(C)[C@H](C(=O)NCC[NH2+]Cc1ncccn1)[NH+](C)C ZINC001133415532 838622441 /nfs/dbraw/zinc/62/24/41/838622441.db2.gz BXGBTDLNCTYYQZ-CYBMUJFWSA-N 2 2 279.388 0.269 20 0 CCADLP CCC[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001133654069 838689054 /nfs/dbraw/zinc/68/90/54/838689054.db2.gz DGJDKIWGWMQYCE-SNVBAGLBSA-N 2 2 250.346 0.945 20 0 CCADLP CO[C@@H](C)C[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001133663312 838691410 /nfs/dbraw/zinc/69/14/10/838691410.db2.gz CWEOVFBVCKWHFA-QWRGUYRKSA-N 2 2 280.372 0.570 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)C[N@H+]2CC[C@@H](C)C2)o1 ZINC001133853663 838740210 /nfs/dbraw/zinc/74/02/10/838740210.db2.gz NSYGAWWZHGQUFN-LLVKDONJSA-N 2 2 280.372 0.531 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)o1 ZINC001133853663 838740215 /nfs/dbraw/zinc/74/02/15/838740215.db2.gz NSYGAWWZHGQUFN-LLVKDONJSA-N 2 2 280.372 0.531 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C[NH2+]CCF ZINC001185205282 844362102 /nfs/dbraw/zinc/36/21/02/844362102.db2.gz NMZVRUAQYCOJCL-NEPJUHHUSA-N 2 2 282.363 0.996 20 0 CCADLP Cc1ccnc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)n1 ZINC001133867431 838759946 /nfs/dbraw/zinc/75/99/46/838759946.db2.gz UNSKAMWCNCAJRB-YPMHNXCESA-N 2 2 291.399 0.189 20 0 CCADLP Cc1ccnc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)n1 ZINC001133867431 838759953 /nfs/dbraw/zinc/75/99/53/838759953.db2.gz UNSKAMWCNCAJRB-YPMHNXCESA-N 2 2 291.399 0.189 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)o1 ZINC001133870966 838763773 /nfs/dbraw/zinc/76/37/73/838763773.db2.gz YAPPMMYLFARFEK-MNOVXSKESA-N 2 2 295.387 0.036 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)o1 ZINC001133870966 838763781 /nfs/dbraw/zinc/76/37/81/838763781.db2.gz YAPPMMYLFARFEK-MNOVXSKESA-N 2 2 295.387 0.036 20 0 CCADLP CC1(C)CC[N@H+](CC(=O)NCC[NH2+]Cc2nncs2)C1 ZINC001133897077 838769046 /nfs/dbraw/zinc/76/90/46/838769046.db2.gz XZYHPPYKDCGCCF-UHFFFAOYSA-N 2 2 297.428 0.476 20 0 CCADLP CC1(C)CC[N@@H+](CC(=O)NCC[NH2+]Cc2nncs2)C1 ZINC001133897077 838769057 /nfs/dbraw/zinc/76/90/57/838769057.db2.gz XZYHPPYKDCGCCF-UHFFFAOYSA-N 2 2 297.428 0.476 20 0 CCADLP C[N@@H+](CC(=O)NCC[NH2+]Cc1cnsn1)CC(C)(C)C ZINC001133899613 838775489 /nfs/dbraw/zinc/77/54/89/838775489.db2.gz OTEJLLMGCQVIRV-UHFFFAOYSA-N 2 2 299.444 0.722 20 0 CCADLP CCc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@H](CC)[NH+](C)C)o1 ZINC001133965966 838795733 /nfs/dbraw/zinc/79/57/33/838795733.db2.gz RIUMGWDJYHMFKA-MNOVXSKESA-N 2 2 297.403 0.739 20 0 CCADLP C[C@H](C[C@@H](C)[NH2+]CCCO)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134229822 838913559 /nfs/dbraw/zinc/91/35/59/838913559.db2.gz UOYOSLONIVBTQR-VXGBXAGGSA-N 2 2 282.388 0.598 20 0 CCADLP Cc1ccncc1C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134406937 838961759 /nfs/dbraw/zinc/96/17/59/838961759.db2.gz JDVCBFDBDOSYBG-UHFFFAOYSA-N 2 2 273.340 0.562 20 0 CCADLP O=C(NCC[NH2+]Cc1cnon1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135102671 839161924 /nfs/dbraw/zinc/16/19/24/839161924.db2.gz KQUGXUABBFLLFS-STQMWFEESA-N 2 2 293.371 0.292 20 0 CCADLP O=C(NCC[NH2+]Cc1cnon1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135102671 839161929 /nfs/dbraw/zinc/16/19/29/839161929.db2.gz KQUGXUABBFLLFS-STQMWFEESA-N 2 2 293.371 0.292 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1nnc(C(C)C)[nH]1 ZINC001135508061 839265798 /nfs/dbraw/zinc/26/57/98/839265798.db2.gz DQWTZNGFGDQENT-UHFFFAOYSA-N 2 2 296.419 0.476 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001135511207 839278377 /nfs/dbraw/zinc/27/83/77/839278377.db2.gz LWBUPXNHMAQZQK-SNVBAGLBSA-N 2 2 282.392 0.222 20 0 CCADLP COCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135552806 839291872 /nfs/dbraw/zinc/29/18/72/839291872.db2.gz KQFNRCGQYRTOFO-VXGBXAGGSA-N 2 2 282.388 0.862 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CC[C@@H]1CCOC1 ZINC001135757567 839391089 /nfs/dbraw/zinc/39/10/89/839391089.db2.gz FXEZYWWSIGMVEI-LLVKDONJSA-N 2 2 266.345 0.085 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]Cc1cncs1 ZINC001135757691 839393109 /nfs/dbraw/zinc/39/31/09/839393109.db2.gz LVRGMDIUAPGMBX-UHFFFAOYSA-N 2 2 265.342 0.315 20 0 CCADLP COCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135798498 839418020 /nfs/dbraw/zinc/41/80/20/839418020.db2.gz HSRFKRACBSSADY-VXGBXAGGSA-N 2 2 282.388 0.862 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246020831 839582103 /nfs/dbraw/zinc/58/21/03/839582103.db2.gz MJNNBOUVTLSGJZ-KGLIPLIRSA-N 3 2 257.422 0.892 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246020831 839582107 /nfs/dbraw/zinc/58/21/07/839582107.db2.gz MJNNBOUVTLSGJZ-KGLIPLIRSA-N 3 2 257.422 0.892 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N[C@@]2(C)CC[NH2+]C2)C[NH2+]1 ZINC001246096601 839609604 /nfs/dbraw/zinc/60/96/04/839609604.db2.gz LGQCMQTXIOXPMI-SUNKGSAMSA-N 2 2 269.389 0.400 20 0 CCADLP C[C@@H]1CC[C@H](C[NH2+]C2CCS(=O)(=O)CC2)[NH2+]C1 ZINC001246110460 839622425 /nfs/dbraw/zinc/62/24/25/839622425.db2.gz ILUZQURIBQHDND-ZYHUDNBSSA-N 2 2 260.403 0.541 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[C@H]3C[NH2+]CCN3C2)C[NH2+]1 ZINC001246125952 839634257 /nfs/dbraw/zinc/63/42/57/839634257.db2.gz FNRQHYFLSQSNAJ-MQYQWHSLSA-N 3 2 252.406 0.010 20 0 CCADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)O2)C[NH2+]1 ZINC001246133600 839637118 /nfs/dbraw/zinc/63/71/18/839637118.db2.gz PXQOZUUCFQBPNX-UPJWGTAASA-N 3 2 253.390 0.628 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N(CCC[NH3+])C2CCCCC2)C[NH2+]1 ZINC001246177380 839662423 /nfs/dbraw/zinc/66/24/23/839662423.db2.gz NAZGRMGNNHKLGU-KBPBESRZSA-N 2 2 283.416 0.873 20 0 CCADLP CC(C)CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001090601503 839666470 /nfs/dbraw/zinc/66/64/70/839666470.db2.gz SFTAUQKAONMICF-KBPBESRZSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001090601503 839666475 /nfs/dbraw/zinc/66/64/75/839666475.db2.gz SFTAUQKAONMICF-KBPBESRZSA-N 2 2 294.399 0.550 20 0 CCADLP CCCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090848384 839851679 /nfs/dbraw/zinc/85/16/79/839851679.db2.gz FVQWPCYAQXVERW-QWHCGFSZSA-N 2 2 280.372 0.235 20 0 CCADLP CCCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090848384 839851690 /nfs/dbraw/zinc/85/16/90/839851690.db2.gz FVQWPCYAQXVERW-QWHCGFSZSA-N 2 2 280.372 0.235 20 0 CCADLP CCOC(=O)[C@H]1CCCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001160583408 840028806 /nfs/dbraw/zinc/02/88/06/840028806.db2.gz XLEOJOZKZCOPAE-NWDGAFQWSA-N 2 2 294.355 0.224 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N(C(C)C)[C@H]2CCC[NH2+]CC2)C[NH2+]1 ZINC001246596868 840155267 /nfs/dbraw/zinc/15/52/67/840155267.db2.gz VRXMEJNEKZKJSG-MJBXVCDLSA-N 2 2 283.416 0.742 20 0 CCADLP CCCCOCC[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171243459 840186536 /nfs/dbraw/zinc/18/65/36/840186536.db2.gz AFCJZLSHXBJCBM-UHFFFAOYSA-N 2 2 296.415 0.875 20 0 CCADLP C1[NH2+]CC12C[C@H]([N@@H+]1CCC[C@]3(CCC[NH2+]3)CC1)CCN2 ZINC001246630332 840202995 /nfs/dbraw/zinc/20/29/95/840202995.db2.gz ILSVMYWMNYAMNT-HUUCEWRRSA-N 3 2 278.444 0.689 20 0 CCADLP C1[NH2+]CC12C[C@H]([N@H+]1CCC[C@]3(CCC[NH2+]3)CC1)CCN2 ZINC001246630332 840203005 /nfs/dbraw/zinc/20/30/05/840203005.db2.gz ILSVMYWMNYAMNT-HUUCEWRRSA-N 3 2 278.444 0.689 20 0 CCADLP C[N@@H+]1CCC[C@H]([NH+]2CCN[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246645565 840227029 /nfs/dbraw/zinc/22/70/29/840227029.db2.gz UZPOJPVDSBPZDF-UONOGXRCSA-N 3 2 252.406 0.108 20 0 CCADLP C[N@H+]1CCC[C@H]([NH+]2CCN[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246645565 840227036 /nfs/dbraw/zinc/22/70/36/840227036.db2.gz UZPOJPVDSBPZDF-UONOGXRCSA-N 3 2 252.406 0.108 20 0 CCADLP C[NH+]1CCC[C@H]([N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246645565 840227048 /nfs/dbraw/zinc/22/70/48/840227048.db2.gz UZPOJPVDSBPZDF-UONOGXRCSA-N 3 2 252.406 0.108 20 0 CCADLP C[NH+]1CCC[C@H]([N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246645565 840227059 /nfs/dbraw/zinc/22/70/59/840227059.db2.gz UZPOJPVDSBPZDF-UONOGXRCSA-N 3 2 252.406 0.108 20 0 CCADLP COC(=O)[C@H]([NH3+])C1CC[NH+]([C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246860674 840329081 /nfs/dbraw/zinc/32/90/81/840329081.db2.gz ADIYMBKOMZYQRX-KGYLQXTDSA-N 3 2 269.389 0.339 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CCc1ccccc1 ZINC001147871614 840708804 /nfs/dbraw/zinc/70/88/04/840708804.db2.gz FAPZIQCGPDVUDT-UHFFFAOYSA-N 2 2 286.379 0.911 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]C[C@@H]1CCCCO1 ZINC001147876998 840712094 /nfs/dbraw/zinc/71/20/94/840712094.db2.gz BORAIRYSPHZFOS-ZDUSSCGKSA-N 2 2 280.372 0.238 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1coc(C)n1 ZINC001148642362 840858712 /nfs/dbraw/zinc/85/87/12/840858712.db2.gz GBGLPTVIMRDGJK-UHFFFAOYSA-N 2 2 268.361 0.531 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1coc(C)n1 ZINC001148642362 840858722 /nfs/dbraw/zinc/85/87/22/840858722.db2.gz GBGLPTVIMRDGJK-UHFFFAOYSA-N 2 2 268.361 0.531 20 0 CCADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@]2(C(C)C)CCC[NH2+]C2)C1 ZINC001161139433 840876487 /nfs/dbraw/zinc/87/64/87/840876487.db2.gz TXMJNGIUMCBEMV-GJZGRUSLSA-N 2 2 297.399 0.115 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1OCC ZINC001087104042 840960490 /nfs/dbraw/zinc/96/04/90/840960490.db2.gz MOCAHTRPNZGCIZ-CHWSQXEVSA-N 2 2 280.372 0.356 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1OCC ZINC001087096754 840963161 /nfs/dbraw/zinc/96/31/61/840963161.db2.gz AZMVZNHJPGRATF-TZMCWYRMSA-N 2 2 294.399 0.436 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]CCOC1CCC1 ZINC001149571154 840965699 /nfs/dbraw/zinc/96/56/99/840965699.db2.gz QWESONGRAVNXLR-UHFFFAOYSA-N 2 2 294.399 0.628 20 0 CCADLP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000713043500 841119227 /nfs/dbraw/zinc/11/92/27/841119227.db2.gz WPTXGFILIJHKOH-CHWSQXEVSA-N 2 2 285.432 0.833 20 0 CCADLP CCn1cc(C[NH+]2CCC(OCCC[NH3+])CC2)nn1 ZINC000714450889 841210815 /nfs/dbraw/zinc/21/08/15/841210815.db2.gz ZBXTYQRVASUBAF-UHFFFAOYSA-N 2 2 267.377 0.628 20 0 CCADLP CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036829870 841335066 /nfs/dbraw/zinc/33/50/66/841335066.db2.gz MCFFEAYEEPJDBU-YPMHNXCESA-N 2 2 262.357 0.895 20 0 CCADLP CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036829870 841335079 /nfs/dbraw/zinc/33/50/79/841335079.db2.gz MCFFEAYEEPJDBU-YPMHNXCESA-N 2 2 262.357 0.895 20 0 CCADLP Cc1nc(NCCNC(=O)C[C@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001093750313 841450112 /nfs/dbraw/zinc/45/01/12/841450112.db2.gz VQVWWHJGBKQUDG-GFCCVEGCSA-N 2 2 277.372 0.655 20 0 CCADLP Cc1nc(NCCNC(=O)C[C@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001093750313 841450116 /nfs/dbraw/zinc/45/01/16/841450116.db2.gz VQVWWHJGBKQUDG-GFCCVEGCSA-N 2 2 277.372 0.655 20 0 CCADLP Cc1nc(NCCNC(=O)C23CC[NH+](CC2)C3)cc[nH+]1 ZINC001093769741 841454156 /nfs/dbraw/zinc/45/41/56/841454156.db2.gz RKWAHLVYHOKJMP-UHFFFAOYSA-N 2 2 275.356 0.409 20 0 CCADLP Cc1nc(NCCCNC(=O)[C@@H]2CCC[N@H+]2C)cc[nH+]1 ZINC001094339611 841608264 /nfs/dbraw/zinc/60/82/64/841608264.db2.gz BCLDOCAWBVHIKH-LBPRGKRZSA-N 2 2 277.372 0.797 20 0 CCADLP Cc1nc(NCCCNC(=O)[C@@H]2CCC[N@@H+]2C)cc[nH+]1 ZINC001094339611 841608270 /nfs/dbraw/zinc/60/82/70/841608270.db2.gz BCLDOCAWBVHIKH-LBPRGKRZSA-N 2 2 277.372 0.797 20 0 CCADLP Cc1nc(NCCCNC(=O)C[NH+]2CCCC2)cc[nH+]1 ZINC001094435954 841635738 /nfs/dbraw/zinc/63/57/38/841635738.db2.gz TYEVKRLYNYFETQ-UHFFFAOYSA-N 2 2 277.372 0.799 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(C)(C)O)CC1 ZINC000716391936 841650898 /nfs/dbraw/zinc/65/08/98/841650898.db2.gz UZVIOMIGFKZUEA-CQSZACIVSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(C)(C)O)CC1 ZINC000716391936 841650901 /nfs/dbraw/zinc/65/09/01/841650901.db2.gz UZVIOMIGFKZUEA-CQSZACIVSA-N 2 2 288.432 0.408 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2[C@@H](CC[N@H+]2CCF)C1 ZINC001036910674 841689218 /nfs/dbraw/zinc/68/92/18/841689218.db2.gz XECFFQPWHHZJRY-STQMWFEESA-N 2 2 280.347 0.775 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2[C@@H](CC[N@@H+]2CCF)C1 ZINC001036910674 841689224 /nfs/dbraw/zinc/68/92/24/841689224.db2.gz XECFFQPWHHZJRY-STQMWFEESA-N 2 2 280.347 0.775 20 0 CCADLP C[C@H]([NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1)C(=O)NCC(N)=O ZINC001171627663 841742078 /nfs/dbraw/zinc/74/20/78/841742078.db2.gz ZSRLHCOYJFGASJ-JTQLQIEISA-N 2 2 298.431 0.217 20 0 CCADLP CCC[N@H+](C)CC(=O)NCCC[NH2+]Cc1noc(CC)n1 ZINC001171758016 841761607 /nfs/dbraw/zinc/76/16/07/841761607.db2.gz SQZGIWXNCJJNAG-UHFFFAOYSA-N 2 2 297.403 0.570 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCCC[NH2+]Cc1noc(CC)n1 ZINC001171758016 841761611 /nfs/dbraw/zinc/76/16/11/841761611.db2.gz SQZGIWXNCJJNAG-UHFFFAOYSA-N 2 2 297.403 0.570 20 0 CCADLP CCOC(=O)C1(C)CCC([NH2+]C2(C[NH3+])COC2)CC1 ZINC001171939041 841779159 /nfs/dbraw/zinc/77/91/59/841779159.db2.gz IEHAYKJQLUXYGI-UHFFFAOYSA-N 2 2 270.373 0.816 20 0 CCADLP C[NH+]1CCC(CO)([NH2+][C@H]2CCN(C3CC3)C(=O)C2)CC1 ZINC001172008862 841788798 /nfs/dbraw/zinc/78/87/98/841788798.db2.gz UIJQAZOTLCAFDH-LBPRGKRZSA-N 2 2 281.400 0.186 20 0 CCADLP CC1(C)C[C@H]([NH+]2CCN(CC[NH+]3CCOCC3)CC2)CO1 ZINC001172287141 841919188 /nfs/dbraw/zinc/91/91/88/841919188.db2.gz JSGHBMTXTXOBJP-HNNXBMFYSA-N 2 2 297.443 0.504 20 0 CCADLP Nc1cn[nH+]cc1Nc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001212666302 841936187 /nfs/dbraw/zinc/93/61/87/841936187.db2.gz IHTDVYAUJONSOM-UHFFFAOYSA-N 2 2 271.324 0.979 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc3n2CC[NH2+]C3)CC[C@H]1F ZINC001206172767 841953854 /nfs/dbraw/zinc/95/38/54/841953854.db2.gz BUMSGKKWVOHBMY-ZIAGYGMSSA-N 3 2 266.364 0.853 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3n2CC[NH2+]C3)CC[C@H]1F ZINC001206172767 841953868 /nfs/dbraw/zinc/95/38/68/841953868.db2.gz BUMSGKKWVOHBMY-ZIAGYGMSSA-N 3 2 266.364 0.853 20 0 CCADLP CC(C)(C)OC(=O)C[NH+]1CCC(n2cnc(C[NH3+])n2)CC1 ZINC001172888732 841981548 /nfs/dbraw/zinc/98/15/48/841981548.db2.gz HCYGPIQSMSUCDO-UHFFFAOYSA-N 2 2 295.387 0.715 20 0 CCADLP CC[N@@H+]1CC[C@@H](N[C@H](Cc2c[nH+]cn2C)C(=O)OC)C1 ZINC001173353910 842051812 /nfs/dbraw/zinc/05/18/12/842051812.db2.gz SAGGTMXFIHHXIY-DGCLKSJQSA-N 2 2 280.372 0.188 20 0 CCADLP CC[N@@H+]1CC[C@H](N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC001173366094 842067241 /nfs/dbraw/zinc/06/72/41/842067241.db2.gz WJAMFHMUYQUNAF-KBPBESRZSA-N 2 2 253.390 0.487 20 0 CCADLP CC[N@H+]1CC[C@H](N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC001173366094 842067253 /nfs/dbraw/zinc/06/72/53/842067253.db2.gz WJAMFHMUYQUNAF-KBPBESRZSA-N 2 2 253.390 0.487 20 0 CCADLP c1nnn([C@@H]2CCC[C@H]([NH2+]CC[NH+]3CCCC3)C2)n1 ZINC001173736893 842135911 /nfs/dbraw/zinc/13/59/11/842135911.db2.gz JQWWEYQALAHWHJ-QWHCGFSZSA-N 2 2 264.377 0.842 20 0 CCADLP C[C@@H](CCCC[NH2+]CCO)NC(=O)CCn1cc[nH+]c1 ZINC001174588721 842190955 /nfs/dbraw/zinc/19/09/55/842190955.db2.gz PVMUSOKODOHQGR-ZDUSSCGKSA-N 2 2 282.388 0.530 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]CC1CCOCC1 ZINC001174691466 842200922 /nfs/dbraw/zinc/20/09/22/842200922.db2.gz MJHIXEDGJVUIQR-UHFFFAOYSA-N 2 2 294.399 0.783 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]C[C@H]1CCCCO1 ZINC001174690114 842201321 /nfs/dbraw/zinc/20/13/21/842201321.db2.gz AYLLQNGPMJUPNA-CYBMUJFWSA-N 2 2 294.399 0.926 20 0 CCADLP CCOCCC[NH2+]CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001174691393 842201347 /nfs/dbraw/zinc/20/13/47/842201347.db2.gz KAPLFGDCUUPZOA-UHFFFAOYSA-N 2 2 282.388 0.783 20 0 CCADLP C[N@@H+]1CCCn2nc(C(=O)N3CC[NH+]4CC[C@H]4C3)cc2C1 ZINC001175078488 842228209 /nfs/dbraw/zinc/22/82/09/842228209.db2.gz ZQICWCOWQDBDRN-LBPRGKRZSA-N 2 2 289.383 0.249 20 0 CCADLP C[N@H+]1CCCn2nc(C(=O)N3CC[NH+]4CC[C@H]4C3)cc2C1 ZINC001175078488 842228222 /nfs/dbraw/zinc/22/82/22/842228222.db2.gz ZQICWCOWQDBDRN-LBPRGKRZSA-N 2 2 289.383 0.249 20 0 CCADLP C[NH+]1CCCn2nc(C(=O)N3CC[N@@H+]4CC[C@H]4C3)cc2C1 ZINC001175078488 842228235 /nfs/dbraw/zinc/22/82/35/842228235.db2.gz ZQICWCOWQDBDRN-LBPRGKRZSA-N 2 2 289.383 0.249 20 0 CCADLP C[NH+]1CCCn2nc(C(=O)N3CC[N@H+]4CC[C@H]4C3)cc2C1 ZINC001175078488 842228244 /nfs/dbraw/zinc/22/82/44/842228244.db2.gz ZQICWCOWQDBDRN-LBPRGKRZSA-N 2 2 289.383 0.249 20 0 CCADLP Cc1nc([C@@H](C)[NH2+]CCCNC(=O)[C@H]2CC[N@H+](C)C2)no1 ZINC001176057028 842316863 /nfs/dbraw/zinc/31/68/63/842316863.db2.gz MFWMFAICHZEQPY-PWSUYJOCSA-N 2 2 295.387 0.487 20 0 CCADLP Cc1nc([C@@H](C)[NH2+]CCCNC(=O)[C@H]2CC[N@@H+](C)C2)no1 ZINC001176057028 842316875 /nfs/dbraw/zinc/31/68/75/842316875.db2.gz MFWMFAICHZEQPY-PWSUYJOCSA-N 2 2 295.387 0.487 20 0 CCADLP COCCN(C(=O)Cc1c[nH+]c[nH]1)C1CC[NH+](C)CC1 ZINC001176831331 842416306 /nfs/dbraw/zinc/41/63/06/842416306.db2.gz PNXNLFBAFJSWQY-UHFFFAOYSA-N 2 2 280.372 0.521 20 0 CCADLP C[NH+](C)[C@@H](C(=O)NCCC[NH2+]CCCO)c1cccnc1 ZINC001177064036 842498180 /nfs/dbraw/zinc/49/81/80/842498180.db2.gz KJVSOPZVZKCZQO-CQSZACIVSA-N 2 2 294.399 0.163 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]C[C@H]1C[C@]12CCOC2 ZINC001177405986 842578570 /nfs/dbraw/zinc/57/85/70/842578570.db2.gz UTBGMEMZFQDNIR-HIFRSBDPSA-N 2 2 292.383 0.406 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]CC[C@H]1CCCO1 ZINC001177405234 842579102 /nfs/dbraw/zinc/57/91/02/842579102.db2.gz LPBBQTZVOXIDRQ-CYBMUJFWSA-N 2 2 280.372 0.548 20 0 CCADLP CC[C@@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CCO1 ZINC001177524415 842620845 /nfs/dbraw/zinc/62/08/45/842620845.db2.gz CMBNBEAVOMJLDC-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H](C(=O)N[C@H]1C[N@H+](C)CC1(C)C)n1cc[nH+]c1 ZINC001178709797 842910999 /nfs/dbraw/zinc/91/09/99/842910999.db2.gz RVVOMKVUJCKIFI-QWRGUYRKSA-N 2 2 250.346 0.901 20 0 CCADLP C[C@@H](C(=O)N[C@H]1C[N@@H+](C)CC1(C)C)n1cc[nH+]c1 ZINC001178709797 842911005 /nfs/dbraw/zinc/91/10/05/842911005.db2.gz RVVOMKVUJCKIFI-QWRGUYRKSA-N 2 2 250.346 0.901 20 0 CCADLP C[C@H](C(=O)N[C@@H]1C[N@H+](C)CC1(C)C)n1cc[nH+]c1 ZINC001178709795 842911937 /nfs/dbraw/zinc/91/19/37/842911937.db2.gz RVVOMKVUJCKIFI-GHMZBOCLSA-N 2 2 250.346 0.901 20 0 CCADLP C[C@H](C(=O)N[C@@H]1C[N@@H+](C)CC1(C)C)n1cc[nH+]c1 ZINC001178709795 842911944 /nfs/dbraw/zinc/91/19/44/842911944.db2.gz RVVOMKVUJCKIFI-GHMZBOCLSA-N 2 2 250.346 0.901 20 0 CCADLP CCOCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC001179787462 843049743 /nfs/dbraw/zinc/04/97/43/843049743.db2.gz GWZSLWJNNOJRPM-RYUDHWBXSA-N 2 2 280.372 0.568 20 0 CCADLP CCCCC[N@H+](C)CCC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC001181867108 843633160 /nfs/dbraw/zinc/63/31/60/843633160.db2.gz NMQWZZCNVFHPIS-AWEZNQCLSA-N 2 2 285.432 0.945 20 0 CCADLP CCCCC[N@@H+](C)CCC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC001181867108 843633166 /nfs/dbraw/zinc/63/31/66/843633166.db2.gz NMQWZZCNVFHPIS-AWEZNQCLSA-N 2 2 285.432 0.945 20 0 CCADLP CCCCC[NH+](C)CCC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC001181867108 843633171 /nfs/dbraw/zinc/63/31/71/843633171.db2.gz NMQWZZCNVFHPIS-AWEZNQCLSA-N 2 2 285.432 0.945 20 0 CCADLP CCCCC[NH+](C)CCC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC001181867108 843633174 /nfs/dbraw/zinc/63/31/74/843633174.db2.gz NMQWZZCNVFHPIS-AWEZNQCLSA-N 2 2 285.432 0.945 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC001181981552 843660131 /nfs/dbraw/zinc/66/01/31/843660131.db2.gz GOLOMBGZSOKFFV-OLZOCXBDSA-N 2 2 269.389 0.164 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC001181981552 843660137 /nfs/dbraw/zinc/66/01/37/843660137.db2.gz GOLOMBGZSOKFFV-OLZOCXBDSA-N 2 2 269.389 0.164 20 0 CCADLP CC(C)[NH+]1CC[C@@H](C(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC001181981552 843660142 /nfs/dbraw/zinc/66/01/42/843660142.db2.gz GOLOMBGZSOKFFV-OLZOCXBDSA-N 2 2 269.389 0.164 20 0 CCADLP CC(C)[NH+]1CC[C@@H](C(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC001181981552 843660149 /nfs/dbraw/zinc/66/01/49/843660149.db2.gz GOLOMBGZSOKFFV-OLZOCXBDSA-N 2 2 269.389 0.164 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+]CCCF)C1 ZINC001182203626 843746864 /nfs/dbraw/zinc/74/68/64/843746864.db2.gz DAQVSRHKINPXSU-LLVKDONJSA-N 2 2 268.336 0.892 20 0 CCADLP C[C@H](O)CCC[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001182220968 843757443 /nfs/dbraw/zinc/75/74/43/843757443.db2.gz RYQHKVIKVDMNIG-QWHCGFSZSA-N 2 2 294.399 0.694 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2c[nH]c3ncnc(Cl)c23)C[C@@H]1O ZINC001206519142 843845660 /nfs/dbraw/zinc/84/56/60/843845660.db2.gz IZOYWPZDFJEPOC-CBAPKCEASA-N 2 2 281.747 0.314 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2c[nH]c3ncnc(Cl)c23)C[C@@H]1O ZINC001206519142 843845664 /nfs/dbraw/zinc/84/56/64/843845664.db2.gz IZOYWPZDFJEPOC-CBAPKCEASA-N 2 2 281.747 0.314 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@]1(C)C[NH2+]CCF ZINC001182997150 843946629 /nfs/dbraw/zinc/94/66/29/843946629.db2.gz MMPNXRIGTQSITC-BXUZGUMPSA-N 2 2 282.363 0.996 20 0 CCADLP CCOCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001187098300 844649609 /nfs/dbraw/zinc/64/96/09/844649609.db2.gz IDJMNRYBROQFFT-GFCCVEGCSA-N 2 2 294.399 0.914 20 0 CCADLP CC(C)(C(=O)N1CC[C@@H]([NH2+]CCCO)C1)c1c[nH+]c[nH]1 ZINC001187092191 844649683 /nfs/dbraw/zinc/64/96/83/844649683.db2.gz QQVAUDGQOVTSLI-LLVKDONJSA-N 2 2 280.372 0.260 20 0 CCADLP C[N@H+](CCCO)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001191632519 845698304 /nfs/dbraw/zinc/69/83/04/845698304.db2.gz KOSPFCJKQCZSON-CYBMUJFWSA-N 2 2 280.372 0.188 20 0 CCADLP C[N@@H+](CCCO)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001191632519 845698312 /nfs/dbraw/zinc/69/83/12/845698312.db2.gz KOSPFCJKQCZSON-CYBMUJFWSA-N 2 2 280.372 0.188 20 0 CCADLP C[C@H](O)CCC[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192551477 845866886 /nfs/dbraw/zinc/86/68/86/845866886.db2.gz PRWQNXAHKKWEKT-GXTWGEPZSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@H](O)CCC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192551477 845866892 /nfs/dbraw/zinc/86/68/92/845866892.db2.gz PRWQNXAHKKWEKT-GXTWGEPZSA-N 2 2 294.399 0.646 20 0 CCADLP CO[C@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193695389 846141779 /nfs/dbraw/zinc/14/17/79/846141779.db2.gz IBIWIJASSKMNNE-DGCLKSJQSA-N 2 2 294.399 0.828 20 0 CCADLP CO[C@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193695389 846141786 /nfs/dbraw/zinc/14/17/86/846141786.db2.gz IBIWIJASSKMNNE-DGCLKSJQSA-N 2 2 294.399 0.828 20 0 CCADLP COc1cc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)cnc1OC ZINC001205673943 846367588 /nfs/dbraw/zinc/36/75/88/846367588.db2.gz WHJUCMZDYPEGOU-OAHLLOKOSA-N 2 2 295.383 0.775 20 0 CCADLP COc1cc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)cnc1OC ZINC001205673943 846367595 /nfs/dbraw/zinc/36/75/95/846367595.db2.gz WHJUCMZDYPEGOU-OAHLLOKOSA-N 2 2 295.383 0.775 20 0 CCADLP C[C@@H](F)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195149608 846473240 /nfs/dbraw/zinc/47/32/40/846473240.db2.gz VFMOUWXULBXOKB-JHJVBQTASA-N 2 2 298.362 0.183 20 0 CCADLP C[C@@H](F)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195149608 846473245 /nfs/dbraw/zinc/47/32/45/846473245.db2.gz VFMOUWXULBXOKB-JHJVBQTASA-N 2 2 298.362 0.183 20 0 CCADLP COCCCC[N@@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001197269091 846890125 /nfs/dbraw/zinc/89/01/25/846890125.db2.gz CDYGJYYIWFRVRM-UHFFFAOYSA-N 2 2 294.399 0.913 20 0 CCADLP COCCCC[N@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001197269091 846890130 /nfs/dbraw/zinc/89/01/30/846890130.db2.gz CDYGJYYIWFRVRM-UHFFFAOYSA-N 2 2 294.399 0.913 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1nnc(C)[nH]1 ZINC001152457982 847120300 /nfs/dbraw/zinc/12/03/00/847120300.db2.gz KCBITZYOYJXHBC-GFCCVEGCSA-N 2 2 294.403 0.193 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1nnc(C)[nH]1 ZINC001152457982 847120304 /nfs/dbraw/zinc/12/03/04/847120304.db2.gz KCBITZYOYJXHBC-GFCCVEGCSA-N 2 2 294.403 0.193 20 0 CCADLP CC(C)[N@@H+]1CC[C@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001273921468 847849070 /nfs/dbraw/zinc/84/90/70/847849070.db2.gz KPIXARHQAYZNHN-HNNXBMFYSA-N 2 2 292.383 0.632 20 0 CCADLP CC(C)[N@H+]1CC[C@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001273921468 847849075 /nfs/dbraw/zinc/84/90/75/847849075.db2.gz KPIXARHQAYZNHN-HNNXBMFYSA-N 2 2 292.383 0.632 20 0 CCADLP CCCCOC[C@H](O)C[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001252540145 847998275 /nfs/dbraw/zinc/99/82/75/847998275.db2.gz KEKMVFYSXQBSIQ-CYBMUJFWSA-N 2 2 274.405 0.210 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH+]1CCC2(COC(=O)N2)CC1 ZINC001253193245 848153791 /nfs/dbraw/zinc/15/37/91/848153791.db2.gz FIKOZILJXRCBFZ-LBPRGKRZSA-N 2 2 285.388 0.264 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+]C1(C(=O)N(C)C)CCC1 ZINC001253214120 848161253 /nfs/dbraw/zinc/16/12/53/848161253.db2.gz NRENBRADMAWZOL-LBPRGKRZSA-N 2 2 271.405 0.290 20 0 CCADLP CC(=O)[C@@H](C)[N@@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001273985906 848202999 /nfs/dbraw/zinc/20/29/99/848202999.db2.gz XEASEOCDRIMDOC-IUODEOHRSA-N 2 2 281.400 0.592 20 0 CCADLP CC(=O)[C@@H](C)[N@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001273985906 848203003 /nfs/dbraw/zinc/20/30/03/848203003.db2.gz XEASEOCDRIMDOC-IUODEOHRSA-N 2 2 281.400 0.592 20 0 CCADLP CCOCC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001274241524 848426219 /nfs/dbraw/zinc/42/62/19/848426219.db2.gz PTFUVODHRSFKJA-UONOGXRCSA-N 2 2 294.399 0.746 20 0 CCADLP C[NH+](C)CCN1CC2(CN(c3cccc[nH+]3)C2)OCC1=O ZINC001274739369 848556451 /nfs/dbraw/zinc/55/64/51/848556451.db2.gz HZDHHBGSCHRPRT-UHFFFAOYSA-N 2 2 290.367 0.061 20 0 CCADLP C[N@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001275043381 848620001 /nfs/dbraw/zinc/62/00/01/848620001.db2.gz COWSTYFXRVANQO-MJBXVCDLSA-N 2 2 279.384 0.012 20 0 CCADLP C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001275043381 848620006 /nfs/dbraw/zinc/62/00/06/848620006.db2.gz COWSTYFXRVANQO-MJBXVCDLSA-N 2 2 279.384 0.012 20 0 CCADLP c1cc(CN2[C@@H]3C[C@H]2C[N@@H+](CCn2cc[nH+]c2)C3)n[nH]1 ZINC001275204801 848665246 /nfs/dbraw/zinc/66/52/46/848665246.db2.gz HOCSXXMVKFPWJX-OKILXGFUSA-N 2 2 272.356 0.565 20 0 CCADLP c1cc(CN2[C@@H]3C[C@H]2C[N@H+](CCn2cc[nH+]c2)C3)n[nH]1 ZINC001275204801 848665250 /nfs/dbraw/zinc/66/52/50/848665250.db2.gz HOCSXXMVKFPWJX-OKILXGFUSA-N 2 2 272.356 0.565 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[NH2+]CCC[C@@H](C)O ZINC001275422286 848717091 /nfs/dbraw/zinc/71/70/91/848717091.db2.gz RSLUURFTPXMUOW-WDEREUQCSA-N 2 2 282.388 0.516 20 0 CCADLP C[C@@H](NC(=O)CCc1c[nH+]cn1C)[C@@H](C)[NH2+]CCCO ZINC001275553103 848760592 /nfs/dbraw/zinc/76/05/92/848760592.db2.gz MMUCVOIMCLUKCW-VXGBXAGGSA-N 2 2 282.388 0.218 20 0 CCADLP CN(CCC[NH2+]C[C@@H]1CCCCO1)C(=O)Cc1c[nH+]c[nH]1 ZINC001276245693 848970832 /nfs/dbraw/zinc/97/08/32/848970832.db2.gz RPLVZTHUJWQTPN-AWEZNQCLSA-N 2 2 294.399 0.959 20 0 CCADLP CCc1cc(N2CC[N@H+](C)[C@H](CO)C2)nc(C)[nH+]1 ZINC000687589565 849111843 /nfs/dbraw/zinc/11/18/43/849111843.db2.gz VLJVZBMADWSXRC-LBPRGKRZSA-N 2 2 250.346 0.460 20 0 CCADLP CCc1cc(N2CC[N@@H+](C)[C@H](CO)C2)nc(C)[nH+]1 ZINC000687589565 849111848 /nfs/dbraw/zinc/11/18/48/849111848.db2.gz VLJVZBMADWSXRC-LBPRGKRZSA-N 2 2 250.346 0.460 20 0 CCADLP C[NH+]1CCC([NH2+]Cc2cccc(S(N)(=O)=O)c2)CC1 ZINC000037649808 849207258 /nfs/dbraw/zinc/20/72/58/849207258.db2.gz WVVNTQPEUSJIRB-UHFFFAOYSA-N 2 2 283.397 0.518 20 0 CCADLP c1[nH+]c2n(c1CNC[C@@H]1C[N@@H+]3CCC[C@H]3CO1)CCC2 ZINC000719179442 849298662 /nfs/dbraw/zinc/29/86/62/849298662.db2.gz FWJZEKKHAZBCKE-GXTWGEPZSA-N 2 2 276.384 0.782 20 0 CCADLP c1[nH+]c2n(c1CNC[C@@H]1C[N@H+]3CCC[C@H]3CO1)CCC2 ZINC000719179442 849298667 /nfs/dbraw/zinc/29/86/67/849298667.db2.gz FWJZEKKHAZBCKE-GXTWGEPZSA-N 2 2 276.384 0.782 20 0 CCADLP C[NH+](C)CCN1C[C@@H]2CC[N@H+](Cc3ncccn3)[C@@H]2C1 ZINC001276334773 849426503 /nfs/dbraw/zinc/42/65/03/849426503.db2.gz ISTJZQUXVUSWBX-UONOGXRCSA-N 2 2 275.400 0.544 20 0 CCADLP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3ncccn3)[C@@H]2C1 ZINC001276334773 849426505 /nfs/dbraw/zinc/42/65/05/849426505.db2.gz ISTJZQUXVUSWBX-UONOGXRCSA-N 2 2 275.400 0.544 20 0 CCADLP COCCOCCOCCC[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000720937952 849565908 /nfs/dbraw/zinc/56/59/08/849565908.db2.gz UFNBGCOKPKWVMO-HUUCEWRRSA-N 2 2 286.416 0.882 20 0 CCADLP COCCOCCOCCC[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000720937952 849565911 /nfs/dbraw/zinc/56/59/11/849565911.db2.gz UFNBGCOKPKWVMO-HUUCEWRRSA-N 2 2 286.416 0.882 20 0 CCADLP C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21)n1cc[nH+]c1 ZINC001114898648 849601720 /nfs/dbraw/zinc/60/17/20/849601720.db2.gz DOWURYAHBDUUMW-CIQGVGRVSA-N 2 2 280.347 0.850 20 0 CCADLP C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21)n1cc[nH+]c1 ZINC001114898648 849601724 /nfs/dbraw/zinc/60/17/24/849601724.db2.gz DOWURYAHBDUUMW-CIQGVGRVSA-N 2 2 280.347 0.850 20 0 CCADLP CCC[N@H+](C[C@@H]1C[C@@H]2COC[C@@H]2O1)[C@H]1CC[NH2+]C1 ZINC000724568418 850203196 /nfs/dbraw/zinc/20/31/96/850203196.db2.gz IRIOQDRFPLTDGH-RFGFWPKPSA-N 2 2 254.374 0.864 20 0 CCADLP CCC[N@@H+](C[C@@H]1C[C@@H]2COC[C@@H]2O1)[C@H]1CC[NH2+]C1 ZINC000724568418 850203210 /nfs/dbraw/zinc/20/32/10/850203210.db2.gz IRIOQDRFPLTDGH-RFGFWPKPSA-N 2 2 254.374 0.864 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001041759779 850497735 /nfs/dbraw/zinc/49/77/35/850497735.db2.gz WYNDDVOWRVGPOB-SWLSCSKDSA-N 2 2 292.383 0.257 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001041759779 850497738 /nfs/dbraw/zinc/49/77/38/850497738.db2.gz WYNDDVOWRVGPOB-SWLSCSKDSA-N 2 2 292.383 0.257 20 0 CCADLP CC[C@@H](C[NH+]1CC(N(C)C(=O)Cn2c[nH+]cc2C)C1)OC ZINC001043357064 850859394 /nfs/dbraw/zinc/85/93/94/850859394.db2.gz IQGGKYIWZBGXRG-AWEZNQCLSA-N 2 2 294.399 0.759 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001043873840 850947945 /nfs/dbraw/zinc/94/79/45/850947945.db2.gz CZXPOUKHWPOCFU-GFCCVEGCSA-N 2 2 269.389 0.117 20 0 CCADLP COC[C@@H](C)[NH+]1CC(N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001044086258 851006883 /nfs/dbraw/zinc/00/68/83/851006883.db2.gz SPBVGQGEFJEDOZ-CQSZACIVSA-N 2 2 297.443 0.896 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001044182885 851035868 /nfs/dbraw/zinc/03/58/68/851035868.db2.gz LSFUOVCPTAGQHM-KGLIPLIRSA-N 2 2 297.443 0.896 20 0 CCADLP CN(C(=O)C[NH+]1CCCC1)C1C[NH+](CCCF)C1 ZINC001044294790 851066912 /nfs/dbraw/zinc/06/69/12/851066912.db2.gz IGODLACANYLOFO-UHFFFAOYSA-N 2 2 257.353 0.584 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N(C)C1C[NH+](CCCF)C1 ZINC001044300350 851070080 /nfs/dbraw/zinc/07/00/80/851070080.db2.gz RANMDXDZGSJSQN-UHFFFAOYSA-N 2 2 268.336 0.694 20 0 CCADLP 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Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)COCC[NH3+])C1 ZINC001118201724 856199716 /nfs/dbraw/zinc/19/97/16/856199716.db2.gz RAWBJYAQWZUQAN-LBPRGKRZSA-N 2 2 280.372 0.177 20 0 CCADLP O=C([C@@H]1[NH2+]C[C@@H]2C[C@@H]21)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001119067849 856549163 /nfs/dbraw/zinc/54/91/63/856549163.db2.gz PLMSPNHCWBWXKC-FIQHERPVSA-N 2 2 260.341 0.724 20 0 CCADLP CC(C)([NH3+])CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001119372321 856658929 /nfs/dbraw/zinc/65/89/29/856658929.db2.gz FCGDKXGNNOAFQP-JTQLQIEISA-N 2 2 250.346 0.689 20 0 CCADLP Cc1[nH]c(CN2CC[N@H+](CCO)[C@H](C)C2)c(C)[nH+]1 ZINC001119749966 856865243 /nfs/dbraw/zinc/86/52/43/856865243.db2.gz XYQINXCAWMOONU-SNVBAGLBSA-N 2 2 252.362 0.525 20 0 CCADLP Cc1[nH]c(CN2CC[N@@H+](CCO)[C@H](C)C2)c(C)[nH+]1 ZINC001119749966 856865245 /nfs/dbraw/zinc/86/52/45/856865245.db2.gz XYQINXCAWMOONU-SNVBAGLBSA-N 2 2 252.362 0.525 20 0 CCADLP CC(=O)NC1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC001323446970 912353880 /nfs/dbraw/zinc/35/38/80/912353880.db2.gz WRVBHMNYXJMZFE-UHFFFAOYSA-N 2 2 250.346 0.874 20 0 CCADLP C[C@]1(NC(=O)Cn2cc[nH+]c2)CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001393124796 912410432 /nfs/dbraw/zinc/41/04/32/912410432.db2.gz LOFHXKGQEUUBGK-ZFWWWQNUSA-N 2 2 292.383 0.500 20 0 CCADLP C[C@]1(NC(=O)Cn2cc[nH+]c2)CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001393124796 912410436 /nfs/dbraw/zinc/41/04/36/912410436.db2.gz LOFHXKGQEUUBGK-ZFWWWQNUSA-N 2 2 292.383 0.500 20 0 CCADLP CC(C)CC[N@@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001393270761 912480217 /nfs/dbraw/zinc/48/02/17/912480217.db2.gz HHBZENZAMFZUHI-HNNXBMFYSA-N 2 2 294.399 0.551 20 0 CCADLP CC(C)CC[N@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001393270761 912480232 /nfs/dbraw/zinc/48/02/32/912480232.db2.gz HHBZENZAMFZUHI-HNNXBMFYSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H]([NH2+]CCO)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001393375100 912537459 /nfs/dbraw/zinc/53/74/59/912537459.db2.gz DTQONKFXJSKNFB-NEPJUHHUSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@@H]([NH2+]CCO)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001393375100 912537476 /nfs/dbraw/zinc/53/74/76/912537476.db2.gz DTQONKFXJSKNFB-NEPJUHHUSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@H](CC(=O)NCC1([NH2+]CCO)CCC1)n1cc[nH+]c1 ZINC001393570513 912652679 /nfs/dbraw/zinc/65/26/79/912652679.db2.gz WAYCMONKFCLWKL-GFCCVEGCSA-N 2 2 280.372 0.455 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NC[C@H](C)[N@H+](C)CCCO ZINC001394077929 912981920 /nfs/dbraw/zinc/98/19/20/912981920.db2.gz YZSFXWJJLNARRB-LBPRGKRZSA-N 2 2 295.383 0.452 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NC[C@H](C)[N@@H+](C)CCCO ZINC001394077929 912981934 /nfs/dbraw/zinc/98/19/34/912981934.db2.gz YZSFXWJJLNARRB-LBPRGKRZSA-N 2 2 295.383 0.452 20 0 CCADLP C[C@@H](CC(=O)N1CC[C@@](C)(C[NH2+]CCO)C1)n1cc[nH+]c1 ZINC001324798800 913041443 /nfs/dbraw/zinc/04/14/43/913041443.db2.gz PGJWQYUUUPYHRO-ZFWWWQNUSA-N 2 2 294.399 0.655 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)NCCC[NH+]2CCCC2)CCO1 ZINC001325581964 913478650 /nfs/dbraw/zinc/47/86/50/913478650.db2.gz YQVJTWLPHXFYSK-AWEZNQCLSA-N 2 2 298.431 0.492 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)NCCC[NH+]2CCCC2)CCO1 ZINC001325581964 913478659 /nfs/dbraw/zinc/47/86/59/913478659.db2.gz YQVJTWLPHXFYSK-AWEZNQCLSA-N 2 2 298.431 0.492 20 0 CCADLP COc1cc(C[NH+]2CCN(CC[NH+](C)C)CC2)ccn1 ZINC001209637654 891484246 /nfs/dbraw/zinc/48/42/46/891484246.db2.gz MHPINSWBIANYGM-UHFFFAOYSA-N 2 2 278.400 0.769 20 0 CCADLP Cc1ncc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)C2)cn1 ZINC001548559599 891489493 /nfs/dbraw/zinc/48/94/93/891489493.db2.gz USCLRJQFEOIMMU-OAHLLOKOSA-N 2 2 275.400 0.607 20 0 CCADLP Cc1ncc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)C2)cn1 ZINC001548559599 891489503 /nfs/dbraw/zinc/48/95/03/891489503.db2.gz USCLRJQFEOIMMU-OAHLLOKOSA-N 2 2 275.400 0.607 20 0 CCADLP CCC[N@H+](CCF)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001481153987 892236712 /nfs/dbraw/zinc/23/67/12/892236712.db2.gz GBOWIXUBKDLAQV-ZDUSSCGKSA-N 2 2 289.395 0.505 20 0 CCADLP CCC[N@@H+](CCF)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001481153987 892236725 /nfs/dbraw/zinc/23/67/25/892236725.db2.gz GBOWIXUBKDLAQV-ZDUSSCGKSA-N 2 2 289.395 0.505 20 0 CCADLP CCC[NH+](CCF)CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001481153987 892236744 /nfs/dbraw/zinc/23/67/44/892236744.db2.gz GBOWIXUBKDLAQV-ZDUSSCGKSA-N 2 2 289.395 0.505 20 0 CCADLP CCC[NH+](CCF)CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001481153987 892236754 /nfs/dbraw/zinc/23/67/54/892236754.db2.gz GBOWIXUBKDLAQV-ZDUSSCGKSA-N 2 2 289.395 0.505 20 0 CCADLP CCOCC[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001481529824 892777214 /nfs/dbraw/zinc/77/72/14/892777214.db2.gz HYUYIUTYEUYAHE-CYBMUJFWSA-N 2 2 294.399 0.580 20 0 CCADLP CCOCC[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001481529824 892777224 /nfs/dbraw/zinc/77/72/24/892777224.db2.gz HYUYIUTYEUYAHE-CYBMUJFWSA-N 2 2 294.399 0.580 20 0 CCADLP CC(C)[C@@H](C(=O)NC1C[NH+](CCOCC2CC2)C1)[NH+](C)C ZINC001481565968 892838888 /nfs/dbraw/zinc/83/88/88/892838888.db2.gz UZPKYPHCRGPAOD-HNNXBMFYSA-N 2 2 297.443 0.800 20 0 CCADLP CN(C(=O)C[C@@H]([NH3+])C(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001343458562 892926149 /nfs/dbraw/zinc/92/61/49/892926149.db2.gz MHQGBRCFSWNUDM-URJDPWSZSA-N 2 2 261.316 0.710 20 0 CCADLP CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001481826754 893191997 /nfs/dbraw/zinc/19/19/97/893191997.db2.gz UTYWSHVPUUYXLF-RYUDHWBXSA-N 2 2 264.373 0.950 20 0 CCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC[C@@H]1C[NH2+]CCO ZINC001482058810 893340210 /nfs/dbraw/zinc/34/02/10/893340210.db2.gz YBUHMZTUOOVXGX-QWHCGFSZSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N1CCC[C@@H]1C[NH2+]CCCO ZINC001482069455 893351727 /nfs/dbraw/zinc/35/17/27/893351727.db2.gz GKXMWKRQMZJRGG-CQSZACIVSA-N 2 2 294.399 0.626 20 0 CCADLP Cc1cnc(C[NH2+]CCN(C)C(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001493498196 893413796 /nfs/dbraw/zinc/41/37/96/893413796.db2.gz AHELQOXJOHJRCI-GFCCVEGCSA-N 2 2 280.372 0.625 20 0 CCADLP Cc1cnc(C[NH2+]CCN(C)C(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001493498196 893413811 /nfs/dbraw/zinc/41/38/11/893413811.db2.gz AHELQOXJOHJRCI-GFCCVEGCSA-N 2 2 280.372 0.625 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]C[C@H]1CCCOC1 ZINC001482153862 893442845 /nfs/dbraw/zinc/44/28/45/893442845.db2.gz CFMIQFUNUKXGQF-QWHCGFSZSA-N 2 2 294.399 0.721 20 0 CCADLP COCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001482609333 894396820 /nfs/dbraw/zinc/39/68/20/894396820.db2.gz SLSQLTNDPNUCTB-CYBMUJFWSA-N 2 2 294.399 0.482 20 0 CCADLP COCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001482609333 894396834 /nfs/dbraw/zinc/39/68/34/894396834.db2.gz SLSQLTNDPNUCTB-CYBMUJFWSA-N 2 2 294.399 0.482 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCCO ZINC001482692485 894492333 /nfs/dbraw/zinc/49/23/33/894492333.db2.gz JBFUGZQQIUNJJF-OCCSQVGLSA-N 2 2 294.399 0.220 20 0 CCADLP CC[NH2+]C[C@@H](O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001482742452 894561710 /nfs/dbraw/zinc/56/17/10/894561710.db2.gz QZEAQEYNJLMMML-SNVBAGLBSA-N 2 2 262.313 0.263 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001326340360 913897263 /nfs/dbraw/zinc/89/72/63/913897263.db2.gz JJMIUEYDOBMNSL-LLVKDONJSA-N 2 2 266.345 0.480 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001326340360 913897280 /nfs/dbraw/zinc/89/72/80/913897280.db2.gz JJMIUEYDOBMNSL-LLVKDONJSA-N 2 2 266.345 0.480 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccon1 ZINC001482992841 894780652 /nfs/dbraw/zinc/78/06/52/894780652.db2.gz ZPUPYAAHSYOCHF-ZRMMWKCHSA-N 2 2 278.356 0.531 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccon1 ZINC001482992841 894780663 /nfs/dbraw/zinc/78/06/63/894780663.db2.gz ZPUPYAAHSYOCHF-ZRMMWKCHSA-N 2 2 278.356 0.531 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cnon1 ZINC001409475303 895196292 /nfs/dbraw/zinc/19/62/92/895196292.db2.gz RRHNZZBNOOYBNM-ZJUUUORDSA-N 2 2 292.343 0.258 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@H+](C)C[C@@H]1CCOC1 ZINC001409645927 895308978 /nfs/dbraw/zinc/30/89/78/895308978.db2.gz YNAWRFLUAJVLSK-NEPJUHHUSA-N 2 2 280.372 0.425 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@@H+](C)C[C@@H]1CCOC1 ZINC001409645927 895308992 /nfs/dbraw/zinc/30/89/92/895308992.db2.gz YNAWRFLUAJVLSK-NEPJUHHUSA-N 2 2 280.372 0.425 20 0 CCADLP C[NH2+]C1(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCC1 ZINC001548560424 895321496 /nfs/dbraw/zinc/32/14/96/895321496.db2.gz YGKOCOYTWSSDCK-GFCCVEGCSA-N 2 2 274.368 0.919 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)C[N@H+](C)CCO)ccn12 ZINC001483338547 895477153 /nfs/dbraw/zinc/47/71/53/895477153.db2.gz GAEMWUXMVPSSIC-LLVKDONJSA-N 2 2 290.367 0.685 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)C[N@@H+](C)CCO)ccn12 ZINC001483338547 895477158 /nfs/dbraw/zinc/47/71/58/895477158.db2.gz GAEMWUXMVPSSIC-LLVKDONJSA-N 2 2 290.367 0.685 20 0 CCADLP O=C(N[C@H](C[NH2+]CCF)C1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001483566983 895653950 /nfs/dbraw/zinc/65/39/50/895653950.db2.gz GWEPQUJNQHFTLY-IJLUTSLNSA-N 2 2 280.347 0.967 20 0 CCADLP C[NH2+]CC1CC[NH+](Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC001326582326 914030597 /nfs/dbraw/zinc/03/05/97/914030597.db2.gz MZDPGNVVYAGQQD-UHFFFAOYSA-N 3 2 267.377 0.695 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC001483903688 896106127 /nfs/dbraw/zinc/10/61/27/896106127.db2.gz AEYLJQSRQQDKRL-STQMWFEESA-N 2 2 294.399 0.958 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC001483903688 896106139 /nfs/dbraw/zinc/10/61/39/896106139.db2.gz AEYLJQSRQQDKRL-STQMWFEESA-N 2 2 294.399 0.958 20 0 CCADLP [NH3+][C@H](CC(=O)N1[C@@H]2CCC[C@H]1CC([NH3+])C2)C(F)F ZINC001521506685 896404515 /nfs/dbraw/zinc/40/45/15/896404515.db2.gz AFNMVJVZYOVYNA-FWKUWYBHSA-N 2 2 261.316 0.840 20 0 CCADLP CC[NH+](C)CCC(=O)N[C@]1(CO)CCC[N@H+](CCF)C1 ZINC001484445493 896409757 /nfs/dbraw/zinc/40/97/57/896409757.db2.gz HMHOAAZXQYSFKT-CQSZACIVSA-N 2 2 289.395 0.241 20 0 CCADLP CC[NH+](C)CCC(=O)N[C@]1(CO)CCC[N@@H+](CCF)C1 ZINC001484445493 896409762 /nfs/dbraw/zinc/40/97/62/896409762.db2.gz HMHOAAZXQYSFKT-CQSZACIVSA-N 2 2 289.395 0.241 20 0 CCADLP CC[N@H+](C)CCC(=O)N[C@]1(CO)CCC[NH+](CCF)C1 ZINC001484445493 896409746 /nfs/dbraw/zinc/40/97/46/896409746.db2.gz HMHOAAZXQYSFKT-CQSZACIVSA-N 2 2 289.395 0.241 20 0 CCADLP CC[N@@H+](C)CCC(=O)N[C@]1(CO)CCC[NH+](CCF)C1 ZINC001484445493 896409753 /nfs/dbraw/zinc/40/97/53/896409753.db2.gz HMHOAAZXQYSFKT-CQSZACIVSA-N 2 2 289.395 0.241 20 0 CCADLP CC(C)(C)CC[NH2+]CCN(CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001484495302 896444661 /nfs/dbraw/zinc/44/46/61/896444661.db2.gz IKPVLPYNXXBUHY-UHFFFAOYSA-N 2 2 296.415 0.799 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H](C)n2cc[nH+]c2)CCO1 ZINC001326673791 914091926 /nfs/dbraw/zinc/09/19/26/914091926.db2.gz BGJOLBBWCUSFEB-DCAQKATOSA-N 2 2 252.318 0.019 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1C[N@H+](C)CCO ZINC001485071500 896757097 /nfs/dbraw/zinc/75/70/97/896757097.db2.gz QRVLMPUUUZYQEI-TZMCWYRMSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1C[N@@H+](C)CCO ZINC001485071500 896757112 /nfs/dbraw/zinc/75/71/12/896757112.db2.gz QRVLMPUUUZYQEI-TZMCWYRMSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C[N@H+](C)CCO ZINC001485071500 896757124 /nfs/dbraw/zinc/75/71/24/896757124.db2.gz QRVLMPUUUZYQEI-TZMCWYRMSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C[N@@H+](C)CCO ZINC001485071500 896757136 /nfs/dbraw/zinc/75/71/36/896757136.db2.gz QRVLMPUUUZYQEI-TZMCWYRMSA-N 2 2 294.399 0.503 20 0 CCADLP CCC[NH+]1CC(CCO)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001485421069 897048775 /nfs/dbraw/zinc/04/87/75/897048775.db2.gz KSEMKCBGQOXWMJ-UHFFFAOYSA-N 2 2 297.443 0.681 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C1C[NH+](CCCO)C1 ZINC001485533679 897112344 /nfs/dbraw/zinc/11/23/44/897112344.db2.gz SKGZDBMPVARNMM-SNVBAGLBSA-N 2 2 280.372 0.080 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H](C[NH2+]CCCO)C1 ZINC001485692250 897189822 /nfs/dbraw/zinc/18/98/22/897189822.db2.gz MBTFXDBXJNIFQY-JOCQHMNTSA-N 2 2 280.372 0.140 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H](C[NH2+]CCCF)C1 ZINC001485702058 897197077 /nfs/dbraw/zinc/19/70/77/897197077.db2.gz GQAPSCBMJJEAEM-HAQNSBGRSA-N 2 2 282.363 0.807 20 0 CCADLP CCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](OC)C1 ZINC001212385026 897781946 /nfs/dbraw/zinc/78/19/46/897781946.db2.gz DLKLSHPRLUMAFH-CHWSQXEVSA-N 2 2 280.372 0.568 20 0 CCADLP CCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](OC)C1 ZINC001212385026 897781961 /nfs/dbraw/zinc/78/19/61/897781961.db2.gz DLKLSHPRLUMAFH-CHWSQXEVSA-N 2 2 280.372 0.568 20 0 CCADLP CCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](OC)C1 ZINC001212385026 897781973 /nfs/dbraw/zinc/78/19/73/897781973.db2.gz DLKLSHPRLUMAFH-CHWSQXEVSA-N 2 2 280.372 0.568 20 0 CCADLP CCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](OC)C1 ZINC001212385026 897781991 /nfs/dbraw/zinc/78/19/91/897781991.db2.gz DLKLSHPRLUMAFH-CHWSQXEVSA-N 2 2 280.372 0.568 20 0 CCADLP CC(C)[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCCO1 ZINC001078513958 898400312 /nfs/dbraw/zinc/40/03/12/898400312.db2.gz GCBMZGPKQRCZKN-CYBMUJFWSA-N 2 2 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20 0 CCADLP C[N@@H+](CCO)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001377761331 905143979 /nfs/dbraw/zinc/14/39/79/905143979.db2.gz ZGBSKLJXNSMZJG-YNEHKIRRSA-N 2 2 292.383 0.286 20 0 CCADLP C[N@H+](CCO)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001377761331 905143986 /nfs/dbraw/zinc/14/39/86/905143986.db2.gz ZGBSKLJXNSMZJG-YNEHKIRRSA-N 2 2 292.383 0.286 20 0 CCADLP C[N@@H+](CCO)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001377761331 905143991 /nfs/dbraw/zinc/14/39/91/905143991.db2.gz ZGBSKLJXNSMZJG-YNEHKIRRSA-N 2 2 292.383 0.286 20 0 CCADLP COCC[NH2+]C[C@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001284200276 905182071 /nfs/dbraw/zinc/18/20/71/905182071.db2.gz ZEXHSTNHXXPCPV-UONOGXRCSA-N 2 2 294.399 0.794 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[C@H](C[NH2+]CCO)C1 ZINC001284196950 905182193 /nfs/dbraw/zinc/18/21/93/905182193.db2.gz ONSOQLLCPFRWDQ-QWHCGFSZSA-N 2 2 280.372 0.140 20 0 CCADLP Cc1nocc1C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001377857725 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CCADLP COCC[N@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001378151733 905457880 /nfs/dbraw/zinc/45/78/80/905457880.db2.gz QBVDEJYMOCGGKF-CYBMUJFWSA-N 2 2 280.372 0.521 20 0 CCADLP C[C@H](O)CCC[N@H+](C)[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001378195523 905487130 /nfs/dbraw/zinc/48/71/30/905487130.db2.gz YFKDUAKBHNMQQU-STQMWFEESA-N 2 2 296.415 0.560 20 0 CCADLP C[C@H](O)CCC[N@@H+](C)[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001378195523 905487148 /nfs/dbraw/zinc/48/71/48/905487148.db2.gz YFKDUAKBHNMQQU-STQMWFEESA-N 2 2 296.415 0.560 20 0 CCADLP COC[C@@H](C)[N@H+]1CC=C(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001284957034 905509624 /nfs/dbraw/zinc/50/96/24/905509624.db2.gz LNDKGKLLEYACHF-GFCCVEGCSA-N 2 2 292.383 0.735 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC=C(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001284957034 905509641 /nfs/dbraw/zinc/50/96/41/905509641.db2.gz LNDKGKLLEYACHF-GFCCVEGCSA-N 2 2 292.383 0.735 20 0 CCADLP [NH3+]C1(CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC001337023864 921159362 /nfs/dbraw/zinc/15/93/62/921159362.db2.gz HZAACWRIZRJZGX-UHFFFAOYSA-N 2 2 263.345 0.790 20 0 CCADLP [NH3+]C1(CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC1 ZINC001337023864 921159367 /nfs/dbraw/zinc/15/93/67/921159367.db2.gz HZAACWRIZRJZGX-UHFFFAOYSA-N 2 2 263.345 0.790 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@](C)(C[NH2+]C[C@@H](C)O)C1CC1 ZINC001378439374 905623088 /nfs/dbraw/zinc/62/30/88/905623088.db2.gz YHMPFYIPCJADDU-MEBBXXQBSA-N 2 2 294.399 0.516 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC001378444649 905623516 /nfs/dbraw/zinc/62/35/16/905623516.db2.gz GNOPLVRPMWASBT-AVGNSLFASA-N 2 2 294.399 0.598 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC001378444649 905623529 /nfs/dbraw/zinc/62/35/29/905623529.db2.gz GNOPLVRPMWASBT-AVGNSLFASA-N 2 2 294.399 0.598 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NC[C@@H](C)C[NH2+]C[C@H](C)O ZINC001378579572 905694630 /nfs/dbraw/zinc/69/46/30/905694630.db2.gz MLWGYRKAXNVEOO-RYUDHWBXSA-N 2 2 295.383 0.355 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC([NH2+]CCCO)C1 ZINC001333141059 905889129 /nfs/dbraw/zinc/88/91/29/905889129.db2.gz XEBUOLZJPNZZHF-UHFFFAOYSA-N 2 2 280.372 0.222 20 0 CCADLP CN(CC[N@H+](C)C[C@@H]1CCCOC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001379113976 906001214 /nfs/dbraw/zinc/00/12/14/906001214.db2.gz DCWYRKUBCUYZCN-ZDUSSCGKSA-N 2 2 294.399 0.769 20 0 CCADLP CN(CC[N@@H+](C)C[C@@H]1CCCOC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001379113976 906001230 /nfs/dbraw/zinc/00/12/30/906001230.db2.gz DCWYRKUBCUYZCN-ZDUSSCGKSA-N 2 2 294.399 0.769 20 0 CCADLP CC(C)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001379208812 906067265 /nfs/dbraw/zinc/06/72/65/906067265.db2.gz RAMYEBFNIXVMRO-OCCSQVGLSA-N 2 2 294.399 0.168 20 0 CCADLP CC(C)[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001379797876 906485161 /nfs/dbraw/zinc/48/51/61/906485161.db2.gz CFMXZEJIHAWRAQ-CHWSQXEVSA-N 2 2 294.399 0.263 20 0 CCADLP CC(C)C[NH2+]C[C@H](O)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001379879562 906517496 /nfs/dbraw/zinc/51/74/96/906517496.db2.gz RNVNGXHIVRVQFL-AWEZNQCLSA-N 2 2 296.415 0.418 20 0 CCADLP CC[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001379928967 906541025 /nfs/dbraw/zinc/54/10/25/906541025.db2.gz HTFWPNANCXNNSB-GFCCVEGCSA-N 2 2 290.367 0.948 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001379928967 906541037 /nfs/dbraw/zinc/54/10/37/906541037.db2.gz HTFWPNANCXNNSB-GFCCVEGCSA-N 2 2 290.367 0.948 20 0 CCADLP CC[C@H](C[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2)C1)OC ZINC001380180123 906667291 /nfs/dbraw/zinc/66/72/91/906667291.db2.gz JUUCXDHANRKYBK-JXQTWKCFSA-N 2 2 294.399 0.887 20 0 CCADLP CN(C(=O)C[N@H+](C)CC(C)(C)C)C1C[NH+](CCCO)C1 ZINC001380235761 906687995 /nfs/dbraw/zinc/68/79/95/906687995.db2.gz XUPYNIVCPKWRPW-UHFFFAOYSA-N 2 2 285.432 0.489 20 0 CCADLP CN(C(=O)C[N@@H+](C)CC(C)(C)C)C1C[NH+](CCCO)C1 ZINC001380235761 906688011 /nfs/dbraw/zinc/68/80/11/906688011.db2.gz XUPYNIVCPKWRPW-UHFFFAOYSA-N 2 2 285.432 0.489 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001337536874 921266912 /nfs/dbraw/zinc/26/69/12/921266912.db2.gz YJKVQWMYNLSJGF-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP Nc1nc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc[nH+]1 ZINC001337836837 921297426 /nfs/dbraw/zinc/29/74/26/921297426.db2.gz JKNKAODLKNDTTA-QWRGUYRKSA-N 2 2 263.345 0.094 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+]CCOC(C)C ZINC001491651525 907485849 /nfs/dbraw/zinc/48/58/49/907485849.db2.gz RFKBUJZIBAEWEU-NSHDSACASA-N 2 2 282.388 0.780 20 0 CCADLP CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1cnon1)[NH+](C)C ZINC001382137225 907567484 /nfs/dbraw/zinc/56/74/84/907567484.db2.gz XUTWMRGNPNSLKD-PWSUYJOCSA-N 2 2 283.376 0.346 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N1CC[C@H](C[NH2+]CCO)C1 ZINC001491858913 907609326 /nfs/dbraw/zinc/60/93/26/907609326.db2.gz MKYDQJATTWMBLT-CYBMUJFWSA-N 2 2 280.372 0.094 20 0 CCADLP CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001382466612 907758727 /nfs/dbraw/zinc/75/87/27/907758727.db2.gz CGICUYMAHYFLDD-YPMHNXCESA-N 2 2 282.388 0.359 20 0 CCADLP CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001382466612 907758740 /nfs/dbraw/zinc/75/87/40/907758740.db2.gz CGICUYMAHYFLDD-YPMHNXCESA-N 2 2 282.388 0.359 20 0 CCADLP CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001382466612 907758750 /nfs/dbraw/zinc/75/87/50/907758750.db2.gz CGICUYMAHYFLDD-YPMHNXCESA-N 2 2 282.388 0.359 20 0 CCADLP CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001382466612 907758757 /nfs/dbraw/zinc/75/87/57/907758757.db2.gz CGICUYMAHYFLDD-YPMHNXCESA-N 2 2 282.388 0.359 20 0 CCADLP C[C@H]1CC[N@H+](CC[NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC001336782169 907992798 /nfs/dbraw/zinc/99/27/98/907992798.db2.gz YBGPGIUTRBOSAF-KBPBESRZSA-N 2 2 286.416 0.474 20 0 CCADLP C[C@H]1CC[N@@H+](CC[NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC001336782169 907992809 /nfs/dbraw/zinc/99/28/09/907992809.db2.gz YBGPGIUTRBOSAF-KBPBESRZSA-N 2 2 286.416 0.474 20 0 CCADLP C[C@H](O)CCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001317064950 908953664 /nfs/dbraw/zinc/95/36/64/908953664.db2.gz MCUIQHPVBIBKRA-RYUDHWBXSA-N 2 2 280.372 0.304 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N1CC[C@H]([NH2+]CCF)C1 ZINC001317311156 909133871 /nfs/dbraw/zinc/13/38/71/909133871.db2.gz JRNXBKRYNNXGLM-LBPRGKRZSA-N 2 2 268.336 0.823 20 0 CCADLP C[C@@H](C[NH2+]C[C@@H]1CCCC[N@H+](C)C1)S(C)(=O)=O ZINC001338519751 921496011 /nfs/dbraw/zinc/49/60/11/921496011.db2.gz MVVWKRPCCJOOSQ-RYUDHWBXSA-N 2 2 262.419 0.741 20 0 CCADLP C[C@@H](C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1)S(C)(=O)=O ZINC001338519751 921496022 /nfs/dbraw/zinc/49/60/22/921496022.db2.gz MVVWKRPCCJOOSQ-RYUDHWBXSA-N 2 2 262.419 0.741 20 0 CCADLP Cc1nocc1C[NH2+]CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001317668063 909461087 /nfs/dbraw/zinc/46/10/87/909461087.db2.gz YCUYFIJFEWGYEN-UHFFFAOYSA-N 2 2 277.328 0.428 20 0 CCADLP CC(C)[N@H+](CCO)CCCNC(=O)Cn1cc[nH+]c1 ZINC001317712028 909472396 /nfs/dbraw/zinc/47/23/96/909472396.db2.gz VRUPIWVGDNCZOR-UHFFFAOYSA-N 2 2 268.361 0.092 20 0 CCADLP CC(C)[N@@H+](CCO)CCCNC(=O)Cn1cc[nH+]c1 ZINC001317712028 909472402 /nfs/dbraw/zinc/47/24/02/909472402.db2.gz VRUPIWVGDNCZOR-UHFFFAOYSA-N 2 2 268.361 0.092 20 0 CCADLP C[C@H](C(=O)N(C)[C@H]1CCC[N@H+](C)C1)n1cc[nH+]c1 ZINC001319065977 909973890 /nfs/dbraw/zinc/97/38/90/909973890.db2.gz RTAALDINNZKZSR-NEPJUHHUSA-N 2 2 250.346 0.997 20 0 CCADLP CCC[NH2+]C[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001319269023 910063363 /nfs/dbraw/zinc/06/33/63/910063363.db2.gz FFFAXPJUQVBDGX-NSHDSACASA-N 2 2 252.362 0.715 20 0 CCADLP C[NH+](C)CCNC(=S)NNc1[nH+]ncc(N)c1Cl ZINC001319277378 910066486 /nfs/dbraw/zinc/06/64/86/910066486.db2.gz IMQFNRWIZRBXIH-UHFFFAOYSA-N 2 2 289.796 0.065 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCC[N@@H+](C[C@@H](C)O)C1 ZINC001390062940 910217029 /nfs/dbraw/zinc/21/70/29/910217029.db2.gz MQAMGFQAVUJKMV-DGCLKSJQSA-N 2 2 294.399 0.470 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCC[N@H+](C[C@@H](C)O)C1 ZINC001390062940 910217049 /nfs/dbraw/zinc/21/70/49/910217049.db2.gz MQAMGFQAVUJKMV-DGCLKSJQSA-N 2 2 294.399 0.470 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001390136924 910240359 /nfs/dbraw/zinc/24/03/59/910240359.db2.gz VBJYDQWNMZPSFY-OLZOCXBDSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@@H](O)C[N@H+]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001390136924 910240374 /nfs/dbraw/zinc/24/03/74/910240374.db2.gz VBJYDQWNMZPSFY-OLZOCXBDSA-N 2 2 280.372 0.235 20 0 CCADLP Cc1cnc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001390519577 910485607 /nfs/dbraw/zinc/48/56/07/910485607.db2.gz KHRDDWHQFKUAEQ-CMPLNLGQSA-N 2 2 280.372 0.529 20 0 CCADLP Cc1cnc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001390519577 910485617 /nfs/dbraw/zinc/48/56/17/910485617.db2.gz KHRDDWHQFKUAEQ-CMPLNLGQSA-N 2 2 280.372 0.529 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001391096399 910876020 /nfs/dbraw/zinc/87/60/20/910876020.db2.gz LDOLKXSHWDHBQD-UONOGXRCSA-N 2 2 294.399 0.746 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001391096399 910876025 /nfs/dbraw/zinc/87/60/25/910876025.db2.gz LDOLKXSHWDHBQD-UONOGXRCSA-N 2 2 294.399 0.746 20 0 CCADLP CC(C)[C@@H](C(=O)NC1C[NH+](C[C@@H]2CCCCO2)C1)[NH+](C)C ZINC001391418195 911117164 /nfs/dbraw/zinc/11/71/64/911117164.db2.gz DXSMJCAXDRFQHF-GJZGRUSLSA-N 2 2 297.443 0.942 20 0 CCADLP O=C(NC/C=C\C[NH2+]CCCO)c1cccc2[nH+]ccn21 ZINC001321155650 911125170 /nfs/dbraw/zinc/12/51/70/911125170.db2.gz OPYTXMDFZHNFQM-UPHRSURJSA-N 2 2 288.351 0.592 20 0 CCADLP CC(C)[C@H](C(=O)NC1C[NH+](C[C@@H](C)O)C1)[NH+]1CCCCC1 ZINC001391459584 911148601 /nfs/dbraw/zinc/14/86/01/911148601.db2.gz HQGJIKFSFPVZSS-UKRRQHHQSA-N 2 2 297.443 0.678 20 0 CCADLP CC(C)(C(=O)NCC1C[NH+](CCF)C1)[NH+]1CCCC1 ZINC001391495931 911176352 /nfs/dbraw/zinc/17/63/52/911176352.db2.gz XIMHYMFIHTUMDA-UHFFFAOYSA-N 2 2 271.380 0.878 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001417849423 921639929 /nfs/dbraw/zinc/63/99/29/921639929.db2.gz LZYODKDUBDKXKI-XQQFMLRXSA-N 2 2 294.399 0.313 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001417849423 921639936 /nfs/dbraw/zinc/63/99/36/921639936.db2.gz LZYODKDUBDKXKI-XQQFMLRXSA-N 2 2 294.399 0.313 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001391568550 911227798 /nfs/dbraw/zinc/22/77/98/911227798.db2.gz VLRWBWDHEVXLHQ-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001391568550 911227809 /nfs/dbraw/zinc/22/78/09/911227809.db2.gz VLRWBWDHEVXLHQ-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP CC(C)[NH2+]C[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001321558941 911369204 /nfs/dbraw/zinc/36/92/04/911369204.db2.gz AAXBHKUWCHLXMX-NEPJUHHUSA-N 2 2 264.373 0.948 20 0 CCADLP COCC[NH2+]C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001321563233 911372481 /nfs/dbraw/zinc/37/24/81/911372481.db2.gz JATUWSLUXKTYLL-SNVBAGLBSA-N 2 2 276.340 0.917 20 0 CCADLP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1nonc1C)[NH+](C)C ZINC001398983884 914982082 /nfs/dbraw/zinc/98/20/82/914982082.db2.gz SRBKLNBVPWMWJQ-JOYOIKCWSA-N 2 2 283.376 0.313 20 0 CCADLP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1nncs1 ZINC001399024378 915004031 /nfs/dbraw/zinc/00/40/31/915004031.db2.gz KPFNVAUZXHPQRN-JTQLQIEISA-N 2 2 297.428 0.474 20 0 CCADLP CO[C@H](C)C[NH2+][C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001399026623 915004578 /nfs/dbraw/zinc/00/45/78/915004578.db2.gz NSTRTDWJFFEVQB-VXGBXAGGSA-N 2 2 282.388 0.482 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H](CNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001418002995 921757574 /nfs/dbraw/zinc/75/75/74/921757574.db2.gz BDCRCMXWSHDEEV-IINYFYTJSA-N 2 2 294.399 0.780 20 0 CCADLP CC[C@@H](C(=O)NCC[N@H+](C)Cc1cnc(C)cn1)[NH+](C)C ZINC001399576462 915244507 /nfs/dbraw/zinc/24/45/07/915244507.db2.gz PCURFAUBZDOVFH-AWEZNQCLSA-N 2 2 293.415 0.673 20 0 CCADLP CC[C@@H](C(=O)NCC[N@@H+](C)Cc1cnc(C)cn1)[NH+](C)C ZINC001399576462 915244520 /nfs/dbraw/zinc/24/45/20/915244520.db2.gz PCURFAUBZDOVFH-AWEZNQCLSA-N 2 2 293.415 0.673 20 0 CCADLP CC[N@H+](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)C[C@H](C)O ZINC001399738944 915354561 /nfs/dbraw/zinc/35/45/61/915354561.db2.gz RUGNWCIGZIVURW-STQMWFEESA-N 2 2 294.399 0.264 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)C[C@H](C)O ZINC001399738944 915354581 /nfs/dbraw/zinc/35/45/81/915354581.db2.gz RUGNWCIGZIVURW-STQMWFEESA-N 2 2 294.399 0.264 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)c1cc(C[NH+](C)C)on1 ZINC001328810611 915446212 /nfs/dbraw/zinc/44/62/12/915446212.db2.gz NDBFGGTUDFSWCM-UHFFFAOYSA-N 2 2 266.345 0.370 20 0 CCADLP C[C@@H](CC(=O)NC[C@H]1CC[N@H+](CCO)C1)n1cc[nH+]c1 ZINC001399932703 915456042 /nfs/dbraw/zinc/45/60/42/915456042.db2.gz QIYQITUOQOXGBG-QWHCGFSZSA-N 2 2 280.372 0.265 20 0 CCADLP C[C@@H](CC(=O)NC[C@H]1CC[N@@H+](CCO)C1)n1cc[nH+]c1 ZINC001399932703 915456051 /nfs/dbraw/zinc/45/60/51/915456051.db2.gz QIYQITUOQOXGBG-QWHCGFSZSA-N 2 2 280.372 0.265 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCCC[NH+]1CCC(O)CC1 ZINC001339618421 921780186 /nfs/dbraw/zinc/78/01/86/921780186.db2.gz FHQIAQVHDVBUSF-UHFFFAOYSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCCC[NH+]1CCC(O)CC1 ZINC001339618421 921780199 /nfs/dbraw/zinc/78/01/99/921780199.db2.gz FHQIAQVHDVBUSF-UHFFFAOYSA-N 2 2 280.372 0.305 20 0 CCADLP C[N@H+](CCO)C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001400225736 915633405 /nfs/dbraw/zinc/63/34/05/915633405.db2.gz GLSZJFPHTXLVPX-LBPRGKRZSA-N 2 2 294.399 0.460 20 0 CCADLP C[N@@H+](CCO)C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001400225736 915633416 /nfs/dbraw/zinc/63/34/16/915633416.db2.gz GLSZJFPHTXLVPX-LBPRGKRZSA-N 2 2 294.399 0.460 20 0 CCADLP CCOCC[NH2+][C@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001329203464 915740362 /nfs/dbraw/zinc/74/03/62/915740362.db2.gz SWQWFSUTMUBZGH-NEPJUHHUSA-N 2 2 268.361 0.402 20 0 CCADLP CC(C)OCC[NH+]1CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001400514213 915788260 /nfs/dbraw/zinc/78/82/60/915788260.db2.gz DCPNJTQQWLJCTQ-UHFFFAOYSA-N 2 2 294.399 0.746 20 0 CCADLP COC[C@H](C)[NH+]1CC(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001400529772 915794418 /nfs/dbraw/zinc/79/44/18/915794418.db2.gz QPHYTFXWTHDYKC-RYUDHWBXSA-N 2 2 294.399 0.671 20 0 CCADLP COC[C@@H](C)[NH+]1CC(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001400529770 915795238 /nfs/dbraw/zinc/79/52/38/915795238.db2.gz QPHYTFXWTHDYKC-NWDGAFQWSA-N 2 2 294.399 0.671 20 0 CCADLP Cc1nocc1C[NH+]1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001400581625 915817732 /nfs/dbraw/zinc/81/77/32/915817732.db2.gz ZBKKSSLNTJESTD-UHFFFAOYSA-N 2 2 294.399 0.871 20 0 CCADLP Cc1nocc1C[NH+]1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001400581625 915817742 /nfs/dbraw/zinc/81/77/42/915817742.db2.gz ZBKKSSLNTJESTD-UHFFFAOYSA-N 2 2 294.399 0.871 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC001329884430 916254246 /nfs/dbraw/zinc/25/42/46/916254246.db2.gz OAKFMZOEDYCELG-QWRGUYRKSA-N 2 2 250.346 0.656 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC001329884430 916254264 /nfs/dbraw/zinc/25/42/64/916254264.db2.gz OAKFMZOEDYCELG-QWRGUYRKSA-N 2 2 250.346 0.656 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC001329884430 916254283 /nfs/dbraw/zinc/25/42/83/916254283.db2.gz OAKFMZOEDYCELG-QWRGUYRKSA-N 2 2 250.346 0.656 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC001329884430 916254305 /nfs/dbraw/zinc/25/43/05/916254305.db2.gz OAKFMZOEDYCELG-QWRGUYRKSA-N 2 2 250.346 0.656 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001330589012 916722457 /nfs/dbraw/zinc/72/24/57/916722457.db2.gz PQGSZPCGQZMXPL-WRWGMCAJSA-N 2 2 260.341 0.866 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001330589012 916722469 /nfs/dbraw/zinc/72/24/69/916722469.db2.gz PQGSZPCGQZMXPL-WRWGMCAJSA-N 2 2 260.341 0.866 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)c1cnc(C[NH3+])nc1 ZINC001330615384 916744336 /nfs/dbraw/zinc/74/43/36/916744336.db2.gz PHJHPRZUIUCZAK-UHFFFAOYSA-N 2 2 274.328 0.260 20 0 CCADLP O[C@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccccn1 ZINC001330620024 916748409 /nfs/dbraw/zinc/74/84/09/916748409.db2.gz CHRCNQKUZHKMDY-IINYFYTJSA-N 2 2 258.325 0.985 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001402063425 916783113 /nfs/dbraw/zinc/78/31/13/916783113.db2.gz VLMXXMYWWGFMSV-YPMHNXCESA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001402063425 916783121 /nfs/dbraw/zinc/78/31/21/916783121.db2.gz VLMXXMYWWGFMSV-YPMHNXCESA-N 2 2 280.372 0.304 20 0 CCADLP O=C(NCc1ccn2cc[nH+]c2c1)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001330702198 916800663 /nfs/dbraw/zinc/80/06/63/916800663.db2.gz SCPOKVDTAYZUQO-GMXVVIOVSA-N 2 2 256.309 0.558 20 0 CCADLP [NH3+]Cc1cnn(Cc2cn(CCCn3cc[nH+]c3)nn2)c1 ZINC001330787180 916863342 /nfs/dbraw/zinc/86/33/42/916863342.db2.gz OCPBOJMFRDABDY-UHFFFAOYSA-N 2 2 286.343 0.268 20 0 CCADLP COC[C@H](C)[NH2+][C@H](CNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001402367422 916979697 /nfs/dbraw/zinc/97/96/97/916979697.db2.gz SFZRFJMMLAWYHF-SMDDNHRTSA-N 2 2 294.399 0.482 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@](CO)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001402452773 917028140 /nfs/dbraw/zinc/02/81/40/917028140.db2.gz DXUPJXVTNNTLHM-OAHLLOKOSA-N 2 2 294.399 0.314 20 0 CCADLP CC(C)[N@H+]1CCC[C@@](CO)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001402452773 917028157 /nfs/dbraw/zinc/02/81/57/917028157.db2.gz DXUPJXVTNNTLHM-OAHLLOKOSA-N 2 2 294.399 0.314 20 0 CCADLP CC[N@H+](C)CCOCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001331149059 917126872 /nfs/dbraw/zinc/12/68/72/917126872.db2.gz FAHUPAQTMZIJET-UHFFFAOYSA-N 2 2 254.334 0.037 20 0 CCADLP CC[N@@H+](C)CCOCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001331149059 917126877 /nfs/dbraw/zinc/12/68/77/917126877.db2.gz FAHUPAQTMZIJET-UHFFFAOYSA-N 2 2 254.334 0.037 20 0 CCADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H](C[NH2+]CCO)C1CC1 ZINC001331348269 917277239 /nfs/dbraw/zinc/27/72/39/917277239.db2.gz RAMDOITVKXZSBM-GFCCVEGCSA-N 2 2 294.399 0.506 20 0 CCADLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]CC1CCOCC1 ZINC001403045621 917443551 /nfs/dbraw/zinc/44/35/51/917443551.db2.gz RVFYSEOLRBPAFQ-NWDGAFQWSA-N 2 2 294.399 0.862 20 0 CCADLP CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1cnnn1C)[NH+](C)C ZINC001403179392 917565365 /nfs/dbraw/zinc/56/53/65/917565365.db2.gz FJBRCBXOXNUTJE-AAEUAGOBSA-N 2 2 296.419 0.092 20 0 CCADLP CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1cnnn1C)[NH+](C)C ZINC001403179392 917565376 /nfs/dbraw/zinc/56/53/76/917565376.db2.gz FJBRCBXOXNUTJE-AAEUAGOBSA-N 2 2 296.419 0.092 20 0 CCADLP CC[NH2+]CC1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CCCCC1 ZINC001403247460 917614948 /nfs/dbraw/zinc/61/49/48/917614948.db2.gz HYFAATQMVRSRSS-ZDUSSCGKSA-N 2 2 283.416 0.746 20 0 CCADLP CC[NH2+]CC1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCCCC1 ZINC001403247460 917614950 /nfs/dbraw/zinc/61/49/50/917614950.db2.gz HYFAATQMVRSRSS-ZDUSSCGKSA-N 2 2 283.416 0.746 20 0 CCADLP CCOCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@@H]1C ZINC001331895924 917699760 /nfs/dbraw/zinc/69/97/60/917699760.db2.gz JIMOHBRAYNMHMJ-TZMCWYRMSA-N 2 2 294.399 0.958 20 0 CCADLP CCOCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@@H]1C ZINC001331895924 917699770 /nfs/dbraw/zinc/69/97/70/917699770.db2.gz JIMOHBRAYNMHMJ-TZMCWYRMSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1nncs1 ZINC001403574470 917826973 /nfs/dbraw/zinc/82/69/73/917826973.db2.gz HLWLNADVWGZHRT-GHMZBOCLSA-N 2 2 297.428 0.569 20 0 CCADLP C[C@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1nncs1 ZINC001403574470 917827011 /nfs/dbraw/zinc/82/70/11/917827011.db2.gz HLWLNADVWGZHRT-GHMZBOCLSA-N 2 2 297.428 0.569 20 0 CCADLP COC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001403627464 917857088 /nfs/dbraw/zinc/85/70/88/917857088.db2.gz YZCCNNAPOWBSLU-STQMWFEESA-N 2 2 294.399 0.528 20 0 CCADLP COC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001403627464 917857100 /nfs/dbraw/zinc/85/71/00/917857100.db2.gz YZCCNNAPOWBSLU-STQMWFEESA-N 2 2 294.399 0.528 20 0 CCADLP CC(C)(O)C[C@@H](O)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC001332288784 918026381 /nfs/dbraw/zinc/02/63/81/918026381.db2.gz VPHBNXHTHNYOLA-GHMZBOCLSA-N 2 2 253.346 0.309 20 0 CCADLP CCCC[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001403924595 918124836 /nfs/dbraw/zinc/12/48/36/918124836.db2.gz OULXPOXWMGXCOK-ZDUSSCGKSA-N 2 2 282.388 0.503 20 0 CCADLP CCCC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001403924595 918124846 /nfs/dbraw/zinc/12/48/46/918124846.db2.gz OULXPOXWMGXCOK-ZDUSSCGKSA-N 2 2 282.388 0.503 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NC[C@H]1CC[N@H+](CCO)C1 ZINC001404064345 918187567 /nfs/dbraw/zinc/18/75/67/918187567.db2.gz HWRXKGSZTWTTOT-GFCCVEGCSA-N 2 2 293.367 0.063 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NC[C@H]1CC[N@@H+](CCO)C1 ZINC001404064345 918187580 /nfs/dbraw/zinc/18/75/80/918187580.db2.gz HWRXKGSZTWTTOT-GFCCVEGCSA-N 2 2 293.367 0.063 20 0 CCADLP C[C@@H](C(=O)N[C@H]1C[NH2+]CCC1(F)F)n1cc[nH+]c1 ZINC001332515348 918242401 /nfs/dbraw/zinc/24/24/01/918242401.db2.gz GGVYSFQCXJGJAG-IUCAKERBSA-N 2 2 258.272 0.558 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)CC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001404478773 918365237 /nfs/dbraw/zinc/36/52/37/918365237.db2.gz UBOLOXOJAONPGE-NSHDSACASA-N 2 2 297.403 0.829 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)CC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001404478773 918365256 /nfs/dbraw/zinc/36/52/56/918365256.db2.gz UBOLOXOJAONPGE-NSHDSACASA-N 2 2 297.403 0.829 20 0 CCADLP C[N@H+](CC(=O)N[C@H]1CCC[NH+](CC(N)=O)C1)CC(C)(C)C ZINC001404704446 918431903 /nfs/dbraw/zinc/43/19/03/918431903.db2.gz PGMYFTMUPLOQFI-LBPRGKRZSA-N 2 2 298.431 0.030 20 0 CCADLP C[N@@H+](CC(=O)N[C@H]1CCC[NH+](CC(N)=O)C1)CC(C)(C)C ZINC001404704446 918431910 /nfs/dbraw/zinc/43/19/10/918431910.db2.gz PGMYFTMUPLOQFI-LBPRGKRZSA-N 2 2 298.431 0.030 20 0 CCADLP C[NH+](CC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1)CC(C)(C)C ZINC001404704446 918431914 /nfs/dbraw/zinc/43/19/14/918431914.db2.gz PGMYFTMUPLOQFI-LBPRGKRZSA-N 2 2 298.431 0.030 20 0 CCADLP C[NH+](CC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1)CC(C)(C)C ZINC001404704446 918431920 /nfs/dbraw/zinc/43/19/20/918431920.db2.gz PGMYFTMUPLOQFI-LBPRGKRZSA-N 2 2 298.431 0.030 20 0 CCADLP Cc1nnc(CC[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)o1 ZINC001333197091 918726972 /nfs/dbraw/zinc/72/69/72/918726972.db2.gz BOUSYNNMANJPII-RYUDHWBXSA-N 2 2 250.346 0.947 20 0 CCADLP Cc1nnc(CC[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)o1 ZINC001333197091 918726983 /nfs/dbraw/zinc/72/69/83/918726983.db2.gz BOUSYNNMANJPII-RYUDHWBXSA-N 2 2 250.346 0.947 20 0 CCADLP Cc1nnc(CC[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)o1 ZINC001333197091 918726997 /nfs/dbraw/zinc/72/69/97/918726997.db2.gz BOUSYNNMANJPII-RYUDHWBXSA-N 2 2 250.346 0.947 20 0 CCADLP Cc1nnc(CC[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)o1 ZINC001333197091 918727009 /nfs/dbraw/zinc/72/70/09/918727009.db2.gz BOUSYNNMANJPII-RYUDHWBXSA-N 2 2 250.346 0.947 20 0 CCADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]C[C@H]1CCCCO1 ZINC001405370586 918743016 /nfs/dbraw/zinc/74/30/16/918743016.db2.gz PKPVPEOLGBLABC-ZIAGYGMSSA-N 2 2 294.399 0.937 20 0 CCADLP Cc1nc(C[NH2+]C[C@@H](C)CNC(=O)Cc2c[nH]c[nH+]2)co1 ZINC001405691357 918862292 /nfs/dbraw/zinc/86/22/92/918862292.db2.gz GJNSPPRRJNLMQN-SNVBAGLBSA-N 2 2 291.355 0.791 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC1([NH2+]CCO)CCCC1 ZINC001405763523 918887292 /nfs/dbraw/zinc/88/72/92/918887292.db2.gz MDWYYRGQWQENOF-UHFFFAOYSA-N 2 2 280.372 0.284 20 0 CCADLP C[C@@H](C[NH2+]Cc1csnn1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001405788189 918895888 /nfs/dbraw/zinc/89/58/88/918895888.db2.gz ARFHGMSUNQOZKU-JQWIXIFHSA-N 2 2 297.428 0.569 20 0 CCADLP C[C@@H](C[NH2+]Cc1csnn1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001405788189 918895900 /nfs/dbraw/zinc/89/59/00/918895900.db2.gz ARFHGMSUNQOZKU-JQWIXIFHSA-N 2 2 297.428 0.569 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1C2CCC1(C[NH3+])CC2 ZINC001333597790 919032189 /nfs/dbraw/zinc/03/21/89/919032189.db2.gz DTOXDGBBNXLVLS-UHFFFAOYSA-N 2 2 263.345 0.585 20 0 CCADLP C[C@H](C[NH2+]Cc1cnsn1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001406337564 919190401 /nfs/dbraw/zinc/19/04/01/919190401.db2.gz OBRBVXZGNDPFIP-MWLCHTKSSA-N 2 2 283.401 0.227 20 0 CCADLP C[C@H](C[NH2+]Cc1cnsn1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001406337564 919190406 /nfs/dbraw/zinc/19/04/06/919190406.db2.gz OBRBVXZGNDPFIP-MWLCHTKSSA-N 2 2 283.401 0.227 20 0 CCADLP C[C@H](C[NH2+]C[C@H]1CCOC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001406360923 919213276 /nfs/dbraw/zinc/21/32/76/919213276.db2.gz FVUPUOVELDJQSP-VXGBXAGGSA-N 2 2 280.372 0.473 20 0 CCADLP C[C@H](C[NH2+]C[C@H]1CCOC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001406360923 919213285 /nfs/dbraw/zinc/21/32/85/919213285.db2.gz FVUPUOVELDJQSP-VXGBXAGGSA-N 2 2 280.372 0.473 20 0 CCADLP CCc1nnc(C[NH2+]C[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C)o1 ZINC001406419070 919253106 /nfs/dbraw/zinc/25/31/06/919253106.db2.gz OMMRJTWLZCPMTI-MNOVXSKESA-N 2 2 297.403 0.567 20 0 CCADLP Cc1nonc1C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001407012818 919573102 /nfs/dbraw/zinc/57/31/02/919573102.db2.gz JSHKJYYFPXLDKG-UHFFFAOYSA-N 2 2 293.371 0.212 20 0 CCADLP O[C@@H](C[NH2+]CCCCn1cc[nH+]c1)C[C@]1(O)CCOC1 ZINC001334765403 919749909 /nfs/dbraw/zinc/74/99/09/919749909.db2.gz VOEVRGTUWKMKHJ-ZIAGYGMSSA-N 2 2 283.372 0.155 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@H]([NH3+])CC(F)F ZINC001334826120 919791406 /nfs/dbraw/zinc/79/14/06/919791406.db2.gz DWJMFSSAEICCRC-HTQZYQBOSA-N 2 2 258.334 0.382 20 0 CCADLP CCC[N@@H+]1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001407641273 919843641 /nfs/dbraw/zinc/84/36/41/919843641.db2.gz QVYYACMXILJHCZ-AWEZNQCLSA-N 2 2 280.372 0.236 20 0 CCADLP CCC[N@H+]1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001407641273 919843650 /nfs/dbraw/zinc/84/36/50/919843650.db2.gz QVYYACMXILJHCZ-AWEZNQCLSA-N 2 2 280.372 0.236 20 0 CCADLP CN1C[C@@H](C[NH+]2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)OC1=O ZINC001335050131 919919251 /nfs/dbraw/zinc/91/92/51/919919251.db2.gz YFSSMNBZUHGEKP-IACUBPJLSA-N 2 2 267.373 0.711 20 0 CCADLP C[C@H]1[C@@H](NC(=O)N2CCn3c[nH+]cc3C2)CC[N@H+]1C ZINC001335251322 920063155 /nfs/dbraw/zinc/06/31/55/920063155.db2.gz JKEFCBLWIFRLTG-JQWIXIFHSA-N 2 2 263.345 0.501 20 0 CCADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1CCO[C@]13CCOC3)CC2 ZINC001335255517 920068167 /nfs/dbraw/zinc/06/81/67/920068167.db2.gz MPDPKDRWXHOBHW-BZPMIXESSA-N 2 2 263.341 0.736 20 0 CCADLP C[NH+](C)[C@@H]1C[C@H]([NH2+]C[C@@H](O)CC(C)(C)O)C1(C)C ZINC001335469902 920220040 /nfs/dbraw/zinc/22/00/40/920220040.db2.gz QCVBLTOKUMXQCI-SDDRHHMPSA-N 2 2 258.406 0.827 20 0 CCADLP C[C@@H]1CN(C(=O)NCCCn2cc[nH+]c2)CC[C@@H]1C[NH3+] ZINC001335898249 920502125 /nfs/dbraw/zinc/50/21/25/920502125.db2.gz PKFJFRMMRKINEZ-CHWSQXEVSA-N 2 2 279.388 0.900 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)NC/C=C/C2CC2)CC1 ZINC001336099390 920606911 /nfs/dbraw/zinc/60/69/11/920606911.db2.gz HJKQEBJHEZDDOA-OWOJBTEDSA-N 2 2 266.389 0.675 20 0 CCADLP [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)NCCCn1cc[nH+]c1 ZINC001336735118 920964601 /nfs/dbraw/zinc/96/46/01/920964601.db2.gz FDXLGEHFDXVOGU-OCCSQVGLSA-N 2 2 277.372 0.796 20 0 CCADLP CCc1cnc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001418218009 921927334 /nfs/dbraw/zinc/92/73/34/921927334.db2.gz XZLVKHDGXYQPBK-DGCLKSJQSA-N 2 2 294.399 0.926 20 0 CCADLP CCc1cnc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001418218009 921927346 /nfs/dbraw/zinc/92/73/46/921927346.db2.gz XZLVKHDGXYQPBK-DGCLKSJQSA-N 2 2 294.399 0.926 20 0 CCADLP Cn1cncc1C[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001418448734 922123270 /nfs/dbraw/zinc/12/32/70/922123270.db2.gz NCEBLEHAYZTSFH-ZDUSSCGKSA-N 2 2 279.388 0.062 20 0 CCADLP Cn1cncc1C[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001418448734 922123284 /nfs/dbraw/zinc/12/32/84/922123284.db2.gz NCEBLEHAYZTSFH-ZDUSSCGKSA-N 2 2 279.388 0.062 20 0 CCADLP Cn1cncc1C[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001418448734 922123295 /nfs/dbraw/zinc/12/32/95/922123295.db2.gz NCEBLEHAYZTSFH-ZDUSSCGKSA-N 2 2 279.388 0.062 20 0 CCADLP Cn1cncc1C[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001418448734 922123304 /nfs/dbraw/zinc/12/33/04/922123304.db2.gz NCEBLEHAYZTSFH-ZDUSSCGKSA-N 2 2 279.388 0.062 20 0 CCADLP CC[C@@H](C(=O)NCC[N@H+](C)Cc1cnc(C)o1)[NH+](C)C ZINC001418496671 922182650 /nfs/dbraw/zinc/18/26/50/922182650.db2.gz WHZMJYRDZGMIAO-ZDUSSCGKSA-N 2 2 282.388 0.871 20 0 CCADLP CC[C@@H](C(=O)NCC[N@@H+](C)Cc1cnc(C)o1)[NH+](C)C ZINC001418496671 922182665 /nfs/dbraw/zinc/18/26/65/922182665.db2.gz WHZMJYRDZGMIAO-ZDUSSCGKSA-N 2 2 282.388 0.871 20 0 CCADLP C[NH2+]CCOCCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001340835427 922234992 /nfs/dbraw/zinc/23/49/92/922234992.db2.gz YXSQVAZKZUAHSD-NSHDSACASA-N 2 2 268.361 0.283 20 0 CCADLP C[NH2+]CCOCCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001340835427 922235001 /nfs/dbraw/zinc/23/50/01/922235001.db2.gz YXSQVAZKZUAHSD-NSHDSACASA-N 2 2 268.361 0.283 20 0 CCADLP Cc1c[nH]cc1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001341056990 922328458 /nfs/dbraw/zinc/32/84/58/922328458.db2.gz ROHNWKZALSLGML-UHFFFAOYSA-N 2 2 250.346 0.476 20 0 CCADLP CC[C@@H](C(=O)NC1C[NH+](C[C@H]2CCCCO2)C1)[NH+](C)C ZINC001419000962 922557738 /nfs/dbraw/zinc/55/77/38/922557738.db2.gz WTNHXMRMOQNPRB-KGLIPLIRSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)CC1(C[NH3+])CC1 ZINC001341751087 922655035 /nfs/dbraw/zinc/65/50/35/922655035.db2.gz AONYFJFHRQODBU-GFCCVEGCSA-N 2 2 269.389 0.342 20 0 CCADLP C[NH+](C)CCCC(=O)NCC[NH+]1CCN(CCF)CC1 ZINC001419141459 922656967 /nfs/dbraw/zinc/65/69/67/922656967.db2.gz SPDYFCVZRWVKOO-UHFFFAOYSA-N 2 2 288.411 0.032 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H](CC)[NH2+]C ZINC001341753946 922658873 /nfs/dbraw/zinc/65/88/73/922658873.db2.gz UGEIEFVYVZFDQA-VXGBXAGGSA-N 2 2 257.378 0.211 20 0 CCADLP [NH3+][C@@H](CC(=O)NCC[C@@H]1CSCC[NH2+]1)C(F)F ZINC001341991280 922755053 /nfs/dbraw/zinc/75/50/53/922755053.db2.gz ZNYNHNJPDQRFBR-SFYZADRCSA-N 2 2 267.345 0.180 20 0 CCADLP Cc1cc(C[NH2+]C[C@H](C)CNC(=O)Cc2[nH]cc[nH+]2)on1 ZINC001419522887 922896487 /nfs/dbraw/zinc/89/64/87/922896487.db2.gz OLZLYGHVCAMMGN-JTQLQIEISA-N 2 2 291.355 0.791 20 0 CCADLP COCC[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001419624781 922951251 /nfs/dbraw/zinc/95/12/51/922951251.db2.gz WAJJNSIUSYDCLZ-CYBMUJFWSA-N 2 2 294.399 0.580 20 0 CCADLP COCC[N@H+]1CCCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001419624781 922951266 /nfs/dbraw/zinc/95/12/66/922951266.db2.gz WAJJNSIUSYDCLZ-CYBMUJFWSA-N 2 2 294.399 0.580 20 0 CCADLP CCCCO[C@H](C)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001342476281 922974835 /nfs/dbraw/zinc/97/48/35/922974835.db2.gz MKSZBODEJQUTEG-GFCCVEGCSA-N 2 2 271.405 0.731 20 0 CCADLP Cn1c[nH+]cc1C1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001342912396 923131720 /nfs/dbraw/zinc/13/17/20/923131720.db2.gz VRMMOXTZPYSZSQ-TXEJJXNPSA-N 2 2 262.357 0.863 20 0 CCADLP [NH3+]CCCSCCC(=O)NCCCn1cc[nH+]c1 ZINC001343341169 923278396 /nfs/dbraw/zinc/27/83/96/923278396.db2.gz WDIUAXXANLJBBV-UHFFFAOYSA-N 2 2 270.402 0.862 20 0 CCADLP C[C@@H]1C[C@H](N(C)C(=O)C[C@@H]([NH3+])C(F)F)CC[N@@H+]1C ZINC001343440359 923315256 /nfs/dbraw/zinc/31/52/56/923315256.db2.gz XYFRGMMGGPINBQ-OPRDCNLKSA-N 2 2 263.332 0.910 20 0 CCADLP C[C@@H]1C[C@H](N(C)C(=O)C[C@@H]([NH3+])C(F)F)CC[N@H+]1C ZINC001343440359 923315271 /nfs/dbraw/zinc/31/52/71/923315271.db2.gz XYFRGMMGGPINBQ-OPRDCNLKSA-N 2 2 263.332 0.910 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](C)n1cc[nH+]c1 ZINC001344015839 923531634 /nfs/dbraw/zinc/53/16/34/923531634.db2.gz GLMFOSJSIDZJGO-NWDGAFQWSA-N 2 2 250.346 0.997 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)n1cc[nH+]c1 ZINC001344015839 923531642 /nfs/dbraw/zinc/53/16/42/923531642.db2.gz GLMFOSJSIDZJGO-NWDGAFQWSA-N 2 2 250.346 0.997 20 0 CCADLP Cc1nnc(C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C2CCC2)o1 ZINC001420434442 923656647 /nfs/dbraw/zinc/65/66/47/923656647.db2.gz GPZWXZGAQGREIN-JTQLQIEISA-N 2 2 295.387 0.457 20 0 CCADLP Cc1nnc(C[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)C2CCC2)o1 ZINC001420434442 923656657 /nfs/dbraw/zinc/65/66/57/923656657.db2.gz GPZWXZGAQGREIN-JTQLQIEISA-N 2 2 295.387 0.457 20 0 CCADLP CC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)CC(=O)NC ZINC001420451112 923677379 /nfs/dbraw/zinc/67/73/79/923677379.db2.gz ODKZKILAQGVNKG-BETUJISGSA-N 2 2 298.431 0.043 20 0 CCADLP CC[N@@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)CC(=O)NC ZINC001420451112 923677389 /nfs/dbraw/zinc/67/73/89/923677389.db2.gz ODKZKILAQGVNKG-BETUJISGSA-N 2 2 298.431 0.043 20 0 CCADLP CC[NH+](CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)CC(=O)NC ZINC001420451112 923677391 /nfs/dbraw/zinc/67/73/91/923677391.db2.gz ODKZKILAQGVNKG-BETUJISGSA-N 2 2 298.431 0.043 20 0 CCADLP CC[NH+](CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)CC(=O)NC ZINC001420451112 923677402 /nfs/dbraw/zinc/67/74/02/923677402.db2.gz ODKZKILAQGVNKG-BETUJISGSA-N 2 2 298.431 0.043 20 0 CCADLP C[C@@H](C[NH2+]C[C@H]1CCCCO1)NC(=O)Cn1cc[nH+]c1 ZINC001420523717 923742337 /nfs/dbraw/zinc/74/23/37/923742337.db2.gz QUZOVPWUGOWSLZ-QWHCGFSZSA-N 2 2 280.372 0.547 20 0 CCADLP C[C@H](O)C[NH2+][C@@H](C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001420757942 923923799 /nfs/dbraw/zinc/92/37/99/923923799.db2.gz DLXCOXQKOOUQJA-RYUDHWBXSA-N 2 2 294.399 0.550 20 0 CCADLP CC[C@H](C(=O)NCC1([NH2+]Cc2cnon2)CC1)[NH+](C)C ZINC001420956491 924050050 /nfs/dbraw/zinc/05/00/50/924050050.db2.gz UQQKVSOQILXYQI-LLVKDONJSA-N 2 2 281.360 0.148 20 0 CCADLP Cc1conc1C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001421004385 924087422 /nfs/dbraw/zinc/08/74/22/924087422.db2.gz ROIYCCUUNGIXIO-LBPRGKRZSA-N 2 2 292.383 0.673 20 0 CCADLP Cc1conc1C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001421004385 924087442 /nfs/dbraw/zinc/08/74/42/924087442.db2.gz ROIYCCUUNGIXIO-LBPRGKRZSA-N 2 2 292.383 0.673 20 0 CCADLP C[N@H+](CC(=O)NC1C[NH+](CCOC2CCC2)C1)C1CCC1 ZINC001421047447 924116916 /nfs/dbraw/zinc/11/69/16/924116916.db2.gz QUDQNNXGASXARW-UHFFFAOYSA-N 2 2 295.427 0.840 20 0 CCADLP C[N@@H+](CC(=O)NC1C[NH+](CCOC2CCC2)C1)C1CCC1 ZINC001421047447 924116921 /nfs/dbraw/zinc/11/69/21/924116921.db2.gz QUDQNNXGASXARW-UHFFFAOYSA-N 2 2 295.427 0.840 20 0 CCADLP CC(C)[C@H](C(=O)NC1C[NH+](CCC[C@@H](C)O)C1)[NH+](C)C ZINC001421085904 924142392 /nfs/dbraw/zinc/14/23/92/924142392.db2.gz WVFDEANLRVEWSQ-TZMCWYRMSA-N 2 2 285.432 0.534 20 0 CCADLP CC[N@H+](C)CCC(=O)NC1C[NH+](C[C@@H]2CC[C@H](C)O2)C1 ZINC001421084381 924142482 /nfs/dbraw/zinc/14/24/82/924142482.db2.gz OTGXEDGKGLKOFA-JSGCOSHPSA-N 2 2 283.416 0.696 20 0 CCADLP CC[N@@H+](C)CCC(=O)NC1C[NH+](C[C@@H]2CC[C@H](C)O2)C1 ZINC001421084381 924142483 /nfs/dbraw/zinc/14/24/83/924142483.db2.gz OTGXEDGKGLKOFA-JSGCOSHPSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@@H](C(=O)NC1C[NH+](CCOC(C)C)C1)[NH+](C)C ZINC001421089060 924146488 /nfs/dbraw/zinc/14/64/88/924146488.db2.gz DGBOURRXNCQHOL-ZDUSSCGKSA-N 2 2 271.405 0.552 20 0 CCADLP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccn1 ZINC001421219030 924219099 /nfs/dbraw/zinc/21/90/99/924219099.db2.gz QTQITLPLDQXUCB-GJZGRUSLSA-N 2 2 288.395 0.818 20 0 CCADLP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccn1 ZINC001421219030 924219112 /nfs/dbraw/zinc/21/91/12/924219112.db2.gz QTQITLPLDQXUCB-GJZGRUSLSA-N 2 2 288.395 0.818 20 0 CCADLP COc1c(N)[nH+]cnc1N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001348565719 924729243 /nfs/dbraw/zinc/72/92/43/924729243.db2.gz RWYLEBFDBVDSSZ-KXUCPTDWSA-N 2 2 263.345 0.820 20 0 CCADLP COc1c(N)[nH+]cnc1N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001348565719 924729249 /nfs/dbraw/zinc/72/92/49/924729249.db2.gz RWYLEBFDBVDSSZ-KXUCPTDWSA-N 2 2 263.345 0.820 20 0 CCADLP C[C@H]1COCCN1CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC001350953918 925320499 /nfs/dbraw/zinc/32/04/99/925320499.db2.gz ADVHUMNBROLWFZ-QWHCGFSZSA-N 2 2 253.390 0.581 20 0 CCADLP CC[NH+]1CCN([C@@H](C)C[NH2+]CCS(=O)(=O)CC)CC1 ZINC001353272607 925777911 /nfs/dbraw/zinc/77/79/11/925777911.db2.gz JVOQHDQEAGBGMN-ZDUSSCGKSA-N 2 2 291.461 0.037 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)COC2CCCC2)CC1 ZINC001354770803 926163369 /nfs/dbraw/zinc/16/33/69/926163369.db2.gz GCVHSLRNDTVFEB-UHFFFAOYSA-N 2 2 269.389 0.485 20 0 CCADLP C[NH2+]CCC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001356555901 926400160 /nfs/dbraw/zinc/40/01/60/926400160.db2.gz COPKUQYHBGTVOL-UHFFFAOYSA-N 2 2 250.346 0.736 20 0 CCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001357970302 926616483 /nfs/dbraw/zinc/61/64/83/926616483.db2.gz UTHACEHCTXLLMF-UTUOFQBUSA-N 2 2 260.341 0.408 20 0 CCADLP CC1(C)CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@@H]1[NH3+] ZINC001358131119 926643933 /nfs/dbraw/zinc/64/39/33/926643933.db2.gz MSQONGKFFOJOON-QWRGUYRKSA-N 2 2 262.357 0.641 20 0 CCADLP CC1(C)CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1[NH3+] ZINC001358131115 926644004 /nfs/dbraw/zinc/64/40/04/926644004.db2.gz MSQONGKFFOJOON-GHMZBOCLSA-N 2 2 262.357 0.641 20 0 CCADLP CC[N@@H+]1CC[C@](O)(CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001421358502 926696211 /nfs/dbraw/zinc/69/62/11/926696211.db2.gz IMYQQHWDXYPAMG-HNNXBMFYSA-N 2 2 293.367 0.206 20 0 CCADLP CC[N@H+]1CC[C@](O)(CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001421358502 926696217 /nfs/dbraw/zinc/69/62/17/926696217.db2.gz IMYQQHWDXYPAMG-HNNXBMFYSA-N 2 2 293.367 0.206 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@]1(O)CC[N@H+](CCCF)C1 ZINC001421366378 926702638 /nfs/dbraw/zinc/70/26/38/926702638.db2.gz CYFKNRJJEMKEOX-CQSZACIVSA-N 2 2 298.362 0.186 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@]1(O)CC[N@@H+](CCCF)C1 ZINC001421366378 926702648 /nfs/dbraw/zinc/70/26/48/926702648.db2.gz CYFKNRJJEMKEOX-CQSZACIVSA-N 2 2 298.362 0.186 20 0 CCADLP CC1CC[NH+](CC(=O)NCC2(O)C[NH+](CC3CC3)C2)CC1 ZINC001421498249 926780539 /nfs/dbraw/zinc/78/05/39/926780539.db2.gz ODKMTNODJKTSCQ-UHFFFAOYSA-N 2 2 295.427 0.291 20 0 CCADLP COC(=O)[C@@H]1CN(CCn2cc[nH+]c2C)CC[N@H+](C)C1 ZINC001414001679 926787203 /nfs/dbraw/zinc/78/72/03/926787203.db2.gz VDGZLOQCZPRMLO-ZDUSSCGKSA-N 2 2 280.372 0.228 20 0 CCADLP COC(=O)[C@@H]1CN(CCn2cc[nH+]c2C)CC[N@@H+](C)C1 ZINC001414001679 926787215 /nfs/dbraw/zinc/78/72/15/926787215.db2.gz VDGZLOQCZPRMLO-ZDUSSCGKSA-N 2 2 280.372 0.228 20 0 CCADLP C[C@H](C[NH2+]Cc1ccccn1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001421954838 927015361 /nfs/dbraw/zinc/01/53/61/927015361.db2.gz IXINOUGYVJAWFP-GFCCVEGCSA-N 2 2 287.367 0.984 20 0 CCADLP CC(C)[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]C[C@H]1CCOC1 ZINC001422130273 927092828 /nfs/dbraw/zinc/09/28/28/927092828.db2.gz CFWAVXDBMZVYHY-OLZOCXBDSA-N 2 2 294.399 0.719 20 0 CCADLP C[C@H]1CC[C@@H](C[N@H+](C)CCN(C)C(=O)Cn2cc[nH+]c2)O1 ZINC001422248441 927175499 /nfs/dbraw/zinc/17/54/99/927175499.db2.gz PSHLBVZJCVJUQB-KBPBESRZSA-N 2 2 294.399 0.841 20 0 CCADLP C[C@H]1CC[C@@H](C[N@@H+](C)CCN(C)C(=O)Cn2cc[nH+]c2)O1 ZINC001422248441 927175505 /nfs/dbraw/zinc/17/55/05/927175505.db2.gz PSHLBVZJCVJUQB-KBPBESRZSA-N 2 2 294.399 0.841 20 0 CCADLP C[C@H](NC(=O)c1cccc2[nH+]ccn21)[C@H](C)[NH2+]CCO ZINC001422386687 927257598 /nfs/dbraw/zinc/25/75/98/927257598.db2.gz VSYDAHKRAWWYGH-QWRGUYRKSA-N 2 2 276.340 0.423 20 0 CCADLP C[C@H](C[NH2+]Cc1cnns1)NC(=O)Cn1cc[nH+]c1 ZINC001422614410 927409091 /nfs/dbraw/zinc/40/90/91/927409091.db2.gz AENXYYAQRFYISO-SECBINFHSA-N 2 2 280.357 0.029 20 0 CCADLP CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)c1nnc(C)[nH]1)[NH+](C)C ZINC001422694294 927454661 /nfs/dbraw/zinc/45/46/61/927454661.db2.gz DAPAHXWJZAAKPJ-UMNHJUIQSA-N 2 2 296.419 0.609 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001361983112 927494738 /nfs/dbraw/zinc/49/47/38/927494738.db2.gz RGRGAMLZPDSFBZ-KGLIPLIRSA-N 2 2 292.383 0.020 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001423064194 927654026 /nfs/dbraw/zinc/65/40/26/927654026.db2.gz WDHVBLAIYONIFL-DGCLKSJQSA-N 2 2 280.372 0.402 20 0 CCADLP C[C@@H](CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CC(N)=O ZINC001423068519 927659289 /nfs/dbraw/zinc/65/92/89/927659289.db2.gz ALTJYNHLUBGUAA-VIFPVBQESA-N 2 2 289.339 0.098 20 0 CCADLP CC(C)N(CC[N@@H+](C)C[C@@H](C)O)C(=O)Cc1c[nH+]c[nH]1 ZINC001423570291 927927671 /nfs/dbraw/zinc/92/76/71/927927671.db2.gz FTUFLKGKQFDZJK-GFCCVEGCSA-N 2 2 282.388 0.502 20 0 CCADLP CC(C)N(CC[N@H+](C)C[C@@H](C)O)C(=O)Cc1c[nH+]c[nH]1 ZINC001423570291 927927679 /nfs/dbraw/zinc/92/76/79/927927679.db2.gz FTUFLKGKQFDZJK-GFCCVEGCSA-N 2 2 282.388 0.502 20 0 CCADLP CC[N@@H+]1CC[C@H]1C(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC001362417463 927989421 /nfs/dbraw/zinc/98/94/21/927989421.db2.gz JFVIISJXUABETI-ZDUSSCGKSA-N 2 2 291.399 0.599 20 0 CCADLP CC[N@H+]1CC[C@H]1C(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC001362417463 927989433 /nfs/dbraw/zinc/98/94/33/927989433.db2.gz JFVIISJXUABETI-ZDUSSCGKSA-N 2 2 291.399 0.599 20 0 CCADLP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001425639599 928612892 /nfs/dbraw/zinc/61/28/92/928612892.db2.gz LWOOFTDUVUVSFL-RYUDHWBXSA-N 2 2 295.387 0.017 20 0 CCADLP CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001426024600 928733825 /nfs/dbraw/zinc/73/38/25/928733825.db2.gz OSVQIIZOBVZTAU-LLVKDONJSA-N 2 2 276.340 0.605 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C(C)(C)C ZINC001426138638 928773148 /nfs/dbraw/zinc/77/31/48/928773148.db2.gz QAYNNLVOLSKFLO-CMPLNLGQSA-N 2 2 282.388 0.454 20 0 CCADLP C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC[NH+](CCO)CC1 ZINC001426195296 928786011 /nfs/dbraw/zinc/78/60/11/928786011.db2.gz WBQRKKPNYZGXTP-NSHDSACASA-N 2 2 280.372 0.161 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001363348307 929138224 /nfs/dbraw/zinc/13/82/24/929138224.db2.gz WWSAVESMGPINQC-ZDUSSCGKSA-N 2 2 292.383 0.712 20 0 CCADLP Cc1nn(CCO)c(C)c1C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC001363349893 929138421 /nfs/dbraw/zinc/13/84/21/929138421.db2.gz JSYDSWALYZTBSQ-LLVKDONJSA-N 2 2 277.372 0.867 20 0 CCADLP C[C@@H](C[NH2+]CC(C)(C)S(C)(=O)=O)N1CC[NH+](C)CC1 ZINC001363355557 929143622 /nfs/dbraw/zinc/14/36/22/929143622.db2.gz DTJFNHRJVPKWEL-LBPRGKRZSA-N 2 2 291.461 0.035 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cnn3ccccc23)CC1 ZINC001363361283 929147981 /nfs/dbraw/zinc/14/79/81/929147981.db2.gz LCLKOWUJZAFIFC-UHFFFAOYSA-N 2 2 287.367 0.198 20 0 CCADLP Cc1[nH]c(CNC(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)c(C)[nH+]1 ZINC001363577721 929382577 /nfs/dbraw/zinc/38/25/77/929382577.db2.gz BHGDAKNUWCFZEZ-NOZJJQNGSA-N 2 2 277.372 0.031 20 0 CCADLP Cc1[nH]c(CNC(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)c(C)[nH+]1 ZINC001363577721 929382588 /nfs/dbraw/zinc/38/25/88/929382588.db2.gz BHGDAKNUWCFZEZ-NOZJJQNGSA-N 2 2 277.372 0.031 20 0 CCADLP CCc1[nH]c(CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)c[nH+]1 ZINC001363600242 929407017 /nfs/dbraw/zinc/40/70/17/929407017.db2.gz GVMYZHMFBFHWMB-CQSZACIVSA-N 2 2 280.372 0.435 20 0 CCADLP CCc1[nH]c(CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)c[nH+]1 ZINC001363600242 929407021 /nfs/dbraw/zinc/40/70/21/929407021.db2.gz GVMYZHMFBFHWMB-CQSZACIVSA-N 2 2 280.372 0.435 20 0 CCADLP CCc1[nH]cc(CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)[nH+]1 ZINC001363600242 929407025 /nfs/dbraw/zinc/40/70/25/929407025.db2.gz GVMYZHMFBFHWMB-CQSZACIVSA-N 2 2 280.372 0.435 20 0 CCADLP CCc1[nH]cc(CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)[nH+]1 ZINC001363600242 929407029 /nfs/dbraw/zinc/40/70/29/929407029.db2.gz GVMYZHMFBFHWMB-CQSZACIVSA-N 2 2 280.372 0.435 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NC[C@H]1C[NH+]2CCC1CC2 ZINC001363663013 929464742 /nfs/dbraw/zinc/46/47/42/929464742.db2.gz OIGLAPAYZDTRNB-ZDUSSCGKSA-N 2 2 276.384 0.811 20 0 CCADLP C[NH+](C)CCCC(=O)NC1C[NH+](CCOC2CCC2)C1 ZINC001443513911 929632241 /nfs/dbraw/zinc/63/22/41/929632241.db2.gz UQNLVGYXMGIPCO-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[N@H+](C)CC(=O)NC1C[NH+](C[C@H](OC)C2CCC2)C1 ZINC001443538574 929640263 /nfs/dbraw/zinc/64/02/63/929640263.db2.gz CQUFRYYKHDRWOR-HNNXBMFYSA-N 2 2 297.443 0.944 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC1C[NH+](C[C@H](OC)C2CCC2)C1 ZINC001443538574 929640265 /nfs/dbraw/zinc/64/02/65/929640265.db2.gz CQUFRYYKHDRWOR-HNNXBMFYSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001443587713 929653871 /nfs/dbraw/zinc/65/38/71/929653871.db2.gz XWXLTRSZGUNINA-IHRRRGAJSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001443587713 929653878 /nfs/dbraw/zinc/65/38/78/929653878.db2.gz XWXLTRSZGUNINA-IHRRRGAJSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC[NH+]1C ZINC001443587713 929653884 /nfs/dbraw/zinc/65/38/84/929653884.db2.gz XWXLTRSZGUNINA-IHRRRGAJSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC[NH+]1C ZINC001443587713 929653889 /nfs/dbraw/zinc/65/38/89/929653889.db2.gz XWXLTRSZGUNINA-IHRRRGAJSA-N 2 2 283.416 0.554 20 0 CCADLP C[N@H+](CCF)CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001372025651 929705820 /nfs/dbraw/zinc/70/58/20/929705820.db2.gz AFQWBKHYLGGYHM-UHFFFAOYSA-N 2 2 291.330 0.898 20 0 CCADLP C[N@@H+](CCF)CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001372025651 929705827 /nfs/dbraw/zinc/70/58/27/929705827.db2.gz AFQWBKHYLGGYHM-UHFFFAOYSA-N 2 2 291.330 0.898 20 0 CCADLP C[N@H+](CCCF)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001372027346 929708415 /nfs/dbraw/zinc/70/84/15/929708415.db2.gz HBMMHRHDPPRORX-GFCCVEGCSA-N 2 2 282.363 0.853 20 0 CCADLP C[N@@H+](CCCF)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001372027346 929708424 /nfs/dbraw/zinc/70/84/24/929708424.db2.gz HBMMHRHDPPRORX-GFCCVEGCSA-N 2 2 282.363 0.853 20 0 CCADLP CC[C@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)[NH2+]CCO ZINC001443950674 929750230 /nfs/dbraw/zinc/75/02/30/929750230.db2.gz WGIQMPYIBAAFMO-GFCCVEGCSA-N 2 2 282.388 0.403 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[N@H+](C)CC[C@H]1CCCO1 ZINC001372182109 929757235 /nfs/dbraw/zinc/75/72/35/929757235.db2.gz HOBAPKHZOWPNKC-CQSZACIVSA-N 2 2 294.399 0.580 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[N@@H+](C)CC[C@H]1CCCO1 ZINC001372182109 929757243 /nfs/dbraw/zinc/75/72/43/929757243.db2.gz HOBAPKHZOWPNKC-CQSZACIVSA-N 2 2 294.399 0.580 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC1(C[NH2+]C[C@H](C)O)CCCC1 ZINC001444089572 929788832 /nfs/dbraw/zinc/78/88/32/929788832.db2.gz PGABZCLAZSJQBX-NSHDSACASA-N 2 2 294.399 0.660 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001372666853 929912110 /nfs/dbraw/zinc/91/21/10/929912110.db2.gz OGJHJTZAGQSSJZ-PWSUYJOCSA-N 2 2 280.372 0.080 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001372666853 929912118 /nfs/dbraw/zinc/91/21/18/929912118.db2.gz OGJHJTZAGQSSJZ-PWSUYJOCSA-N 2 2 280.372 0.080 20 0 CCADLP CC(C)[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]CCO ZINC001444913219 929970381 /nfs/dbraw/zinc/97/03/81/929970381.db2.gz OJZCSBSQUSNZAA-OLZOCXBDSA-N 2 2 282.388 0.557 20 0 CCADLP C[N@H+](CCCO)C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001373287863 930130402 /nfs/dbraw/zinc/13/04/02/930130402.db2.gz IVSSIZCFTBGTMK-CYBMUJFWSA-N 2 2 294.399 0.505 20 0 CCADLP C[N@@H+](CCCO)C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001373287863 930130415 /nfs/dbraw/zinc/13/04/15/930130415.db2.gz IVSSIZCFTBGTMK-CYBMUJFWSA-N 2 2 294.399 0.505 20 0 CCADLP C[N@H+](CCCO)C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001373287863 930130420 /nfs/dbraw/zinc/13/04/20/930130420.db2.gz IVSSIZCFTBGTMK-CYBMUJFWSA-N 2 2 294.399 0.505 20 0 CCADLP C[N@@H+](CCCO)C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001373287863 930130425 /nfs/dbraw/zinc/13/04/25/930130425.db2.gz IVSSIZCFTBGTMK-CYBMUJFWSA-N 2 2 294.399 0.505 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnsn1)NC(=O)CC[NH+](C)C ZINC001445617616 930186420 /nfs/dbraw/zinc/18/64/20/930186420.db2.gz UONYZQDKADHAKQ-VIFPVBQESA-N 2 2 271.390 0.084 20 0 CCADLP C[C@H](C[N@H+](C)CCF)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001445759192 930243096 /nfs/dbraw/zinc/24/30/96/930243096.db2.gz GKNISIAOBBJEGE-SNVBAGLBSA-N 2 2 286.351 0.756 20 0 CCADLP C[C@H](C[N@@H+](C)CCF)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001445759192 930243102 /nfs/dbraw/zinc/24/31/02/930243102.db2.gz GKNISIAOBBJEGE-SNVBAGLBSA-N 2 2 286.351 0.756 20 0 CCADLP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)CC[NH+](C)C)C2)no1 ZINC001373680934 930300043 /nfs/dbraw/zinc/30/00/43/930300043.db2.gz PUAQWCGLIYBNMH-CQSZACIVSA-N 2 2 294.399 0.967 20 0 CCADLP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)CC[NH+](C)C)C2)no1 ZINC001373680934 930300054 /nfs/dbraw/zinc/30/00/54/930300054.db2.gz PUAQWCGLIYBNMH-CQSZACIVSA-N 2 2 294.399 0.967 20 0 CCADLP C[C@@H](c1cnccn1)[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001446088262 930331550 /nfs/dbraw/zinc/33/15/50/930331550.db2.gz WYKLVJNMLACZAL-STQMWFEESA-N 2 2 291.399 0.680 20 0 CCADLP C[C@@H](c1cnccn1)[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001446088262 930331559 /nfs/dbraw/zinc/33/15/59/930331559.db2.gz WYKLVJNMLACZAL-STQMWFEESA-N 2 2 291.399 0.680 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@@](C)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001373896577 930365873 /nfs/dbraw/zinc/36/58/73/930365873.db2.gz JICVFRVXXLIQEF-XHDPSFHLSA-N 2 2 294.399 0.862 20 0 CCADLP CC[C@@H](C[NH+]1CC(N(C)C(=O)CCn2cc[nH+]c2)C1)OC ZINC001446378974 930401758 /nfs/dbraw/zinc/40/17/58/930401758.db2.gz ITADEOJVAIMFOG-AWEZNQCLSA-N 2 2 294.399 0.841 20 0 CCADLP O=C([C@H]1CC[C@@H]2CCCC[N@H+]12)N1CC[NH+](CCCO)CC1 ZINC001374103943 930422682 /nfs/dbraw/zinc/42/26/82/930422682.db2.gz MBDOLDRPAQLTFM-LSDHHAIUSA-N 2 2 295.427 0.530 20 0 CCADLP O=C([C@H]1CC[C@@H]2CCCC[N@@H+]12)N1CC[NH+](CCCO)CC1 ZINC001374103943 930422688 /nfs/dbraw/zinc/42/26/88/930422688.db2.gz MBDOLDRPAQLTFM-LSDHHAIUSA-N 2 2 295.427 0.530 20 0 CCADLP C[C@H](O)C[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001446592921 930444234 /nfs/dbraw/zinc/44/42/34/930444234.db2.gz IFLXLHJIGJBFAH-FZMZJTMJSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@H](O)C[N@@H+]1CCC[C@@](C)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001446662425 930454967 /nfs/dbraw/zinc/45/49/67/930454967.db2.gz CHGRMSKTAZHRHN-WFASDCNBSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](O)C[N@H+]1CCC[C@@](C)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001446662425 930454974 /nfs/dbraw/zinc/45/49/74/930454974.db2.gz CHGRMSKTAZHRHN-WFASDCNBSA-N 2 2 294.399 0.551 20 0 CCADLP Cc1nnc(C[NH2+]C[C@H](C)N(C)C(=O)C[NH+]2CCCC2)[nH]1 ZINC001374325486 930486822 /nfs/dbraw/zinc/48/68/22/930486822.db2.gz INQJKDNGEVAYHJ-NSHDSACASA-N 2 2 294.403 0.145 20 0 CCADLP C[C@@H]([NH2+]CCO)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001446939268 930523728 /nfs/dbraw/zinc/52/37/28/930523728.db2.gz HBCSXLOKFQTTFI-ZIAGYGMSSA-N 2 2 294.399 0.482 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C[NH2+]C(C)(C)C)C[C@H]1C ZINC001446973359 930531356 /nfs/dbraw/zinc/53/13/56/930531356.db2.gz KJMTUAZHYDJZTO-GFCCVEGCSA-N 2 2 299.415 0.470 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)C[NH2+]C(C)(C)C)C[C@H]1C ZINC001446973359 930531362 /nfs/dbraw/zinc/53/13/62/930531362.db2.gz KJMTUAZHYDJZTO-GFCCVEGCSA-N 2 2 299.415 0.470 20 0 CCADLP Cc1cc(C)c(C(=O)NC[C@H](O)C[NH2+]C[C@H](C)O)c(C)[nH+]1 ZINC001374632920 930602260 /nfs/dbraw/zinc/60/22/60/930602260.db2.gz VOZBTRMKUFJVLD-WCQYABFASA-N 2 2 295.383 0.068 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccon1 ZINC001447945042 930764075 /nfs/dbraw/zinc/76/40/75/930764075.db2.gz YWMLOHJYIQCTBE-WDEREUQCSA-N 2 2 291.355 0.863 20 0 CCADLP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@H+](C)CCO ZINC001448055426 930801424 /nfs/dbraw/zinc/80/14/24/930801424.db2.gz BXFUHGJCSKBSTJ-SNVBAGLBSA-N 2 2 276.340 0.605 20 0 CCADLP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@@H+](C)CCO ZINC001448055426 930801429 /nfs/dbraw/zinc/80/14/29/930801429.db2.gz BXFUHGJCSKBSTJ-SNVBAGLBSA-N 2 2 276.340 0.605 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H](C[NH2+]C[C@@H]1CCOC1)C1CC1 ZINC001375263673 930832360 /nfs/dbraw/zinc/83/23/60/930832360.db2.gz DTNCCEDHSKBZBT-WCQYABFASA-N 2 2 292.383 0.473 20 0 CCADLP CC(C)[C@H](C(=O)N(C)C1C[NH+](C[C@@H](C)O)C1)[NH+](C)C ZINC001375704601 930954502 /nfs/dbraw/zinc/95/45/02/930954502.db2.gz SSLYGASPVVJKIV-DGCLKSJQSA-N 2 2 271.405 0.096 20 0 CCADLP CC1(CNC(=O)Cn2cc[nH+]c2)CC[NH+](CCO)CC1 ZINC001375937166 931002302 /nfs/dbraw/zinc/00/23/02/931002302.db2.gz VABCOCMEFGAJAC-UHFFFAOYSA-N 2 2 280.372 0.094 20 0 CCADLP CC[C@H](C)C[NH2+][C@@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001448948162 931033692 /nfs/dbraw/zinc/03/36/92/931033692.db2.gz PSWJZZTYNGFTIU-NWDGAFQWSA-N 2 2 282.388 0.075 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1(O)C[NH+](CC2CCC2)C1 ZINC001376197886 931087463 /nfs/dbraw/zinc/08/74/63/931087463.db2.gz YASMGBKOTMLBCL-CQSZACIVSA-N 2 2 295.427 0.434 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC1(O)C[NH+](CC2CCC2)C1 ZINC001376197886 931087470 /nfs/dbraw/zinc/08/74/70/931087470.db2.gz YASMGBKOTMLBCL-CQSZACIVSA-N 2 2 295.427 0.434 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](O)C[NH2+]CC1CC1 ZINC001449175376 931092347 /nfs/dbraw/zinc/09/23/47/931092347.db2.gz UXNVQJITJQFNHA-GFCCVEGCSA-N 2 2 280.372 0.080 20 0 CCADLP CN(C(=O)CCc1c[nH+]cn1C)C1CC([NH2+]CCF)C1 ZINC001449415746 931140536 /nfs/dbraw/zinc/14/05/36/931140536.db2.gz YSQYDJPJKPGAAR-UHFFFAOYSA-N 2 2 282.363 0.901 20 0 CCADLP C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)[NH2+]CCO ZINC001376778844 931268666 /nfs/dbraw/zinc/26/86/66/931268666.db2.gz MCVBYRJHPOXGGE-LBPRGKRZSA-N 2 2 288.351 0.573 20 0 CCADLP Cc1noc(C[NH2+][C@H](C)CNC(=O)C2(C[NH+](C)C)CC2)n1 ZINC001376790600 931275041 /nfs/dbraw/zinc/27/50/41/931275041.db2.gz HRNVMHUFQWHGCV-SNVBAGLBSA-N 2 2 295.387 0.314 20 0 CCADLP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]Cc1cnon1 ZINC001376828806 931293380 /nfs/dbraw/zinc/29/33/80/931293380.db2.gz UCYWJDCONFTJKH-LLVKDONJSA-N 2 2 295.387 0.396 20 0 CCADLP C[C@@H](CCNC(=O)Cc1c[nH+]cn1C)[NH2+]C[C@@H]1CCOC1 ZINC001377108739 931383959 /nfs/dbraw/zinc/38/39/59/931383959.db2.gz VUFHSCXLEQCVPY-STQMWFEESA-N 2 2 294.399 0.484 20 0 CCADLP CC(C)[NH+]1CCC([NH2+]C2CC[NH+](CC(=O)[O-])CC2)CC1 ZINC001588922362 962393892 /nfs/dbraw/zinc/39/38/92/962393892.db2.gz FLAQMUXGLGHNHV-UHFFFAOYSA-N 2 2 283.416 0.998 20 0 CCADLP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)NCCF)CC1 ZINC000337414804 214067174 /nfs/dbraw/zinc/06/71/74/214067174.db2.gz YWAJLSROTIDZIF-LLVKDONJSA-N 2 2 275.368 0.161 20 0 CCADLP C[C@H]1C[N@H+](CCN(C)CC[NH+]2CCOC(C)(C)C2)CCO1 ZINC000337448555 214086842 /nfs/dbraw/zinc/08/68/42/214086842.db2.gz DDGLWELBOBQYAJ-HNNXBMFYSA-N 2 2 299.459 0.750 20 0 CCADLP C[C@H]1C[N@@H+](CCN(C)CC[NH+]2CCOC(C)(C)C2)CCO1 ZINC000337448555 214086845 /nfs/dbraw/zinc/08/68/45/214086845.db2.gz DDGLWELBOBQYAJ-HNNXBMFYSA-N 2 2 299.459 0.750 20 0 CCADLP C[C@H]1C[NH+](CCN(C)CC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC000337448555 214086846 /nfs/dbraw/zinc/08/68/46/214086846.db2.gz DDGLWELBOBQYAJ-HNNXBMFYSA-N 2 2 299.459 0.750 20 0 CCADLP C[C@H]1C[NH+](CCN(C)CC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC000337448555 214086849 /nfs/dbraw/zinc/08/68/49/214086849.db2.gz DDGLWELBOBQYAJ-HNNXBMFYSA-N 2 2 299.459 0.750 20 0 CCADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000092950367 349512831 /nfs/dbraw/zinc/51/28/31/349512831.db2.gz IJUWDROGNCYZSP-OLZOCXBDSA-N 2 2 274.368 0.728 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000092953920 349514569 /nfs/dbraw/zinc/51/45/69/349514569.db2.gz PKJWHRUCTWYDOL-DZGCQCFKSA-N 2 2 288.395 0.724 20 0 CCADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000092953921 349514746 /nfs/dbraw/zinc/51/47/46/349514746.db2.gz PKJWHRUCTWYDOL-HIFRSBDPSA-N 2 2 288.395 0.724 20 0 CCADLP Cc1n[nH]cc1C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000093047230 349522595 /nfs/dbraw/zinc/52/25/95/349522595.db2.gz FMVBLXJGNHRXCF-UHFFFAOYSA-N 2 2 291.399 0.458 20 0 CCADLP O[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1O ZINC000093092085 349524819 /nfs/dbraw/zinc/52/48/19/349524819.db2.gz ZJZYOZUXUCTAPS-OKILXGFUSA-N 2 2 259.309 0.410 20 0 CCADLP O[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1O ZINC000093092085 349524823 /nfs/dbraw/zinc/52/48/23/349524823.db2.gz ZJZYOZUXUCTAPS-OKILXGFUSA-N 2 2 259.309 0.410 20 0 CCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCC[NH+]1CCC1 ZINC000337596047 214174014 /nfs/dbraw/zinc/17/40/14/214174014.db2.gz KOSLIFRJCDUCKA-GFCCVEGCSA-N 2 2 279.388 0.833 20 0 CCADLP CCN(C(=O)Cc1[nH]c[nH+]c1C)[C@H]1CC[N@H+](C)C1 ZINC000617550999 365672019 /nfs/dbraw/zinc/67/20/19/365672019.db2.gz IYOPKBVVMAWIIF-NSHDSACASA-N 2 2 250.346 0.813 20 0 CCADLP CCN(C(=O)Cc1[nH]c[nH+]c1C)[C@H]1CC[N@@H+](C)C1 ZINC000617550999 365672029 /nfs/dbraw/zinc/67/20/29/365672029.db2.gz IYOPKBVVMAWIIF-NSHDSACASA-N 2 2 250.346 0.813 20 0 CCADLP CCN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](C)C1 ZINC000617552430 365674245 /nfs/dbraw/zinc/67/42/45/365674245.db2.gz NUTHJAARSURBIJ-GFCCVEGCSA-N 2 2 250.346 0.895 20 0 CCADLP CCN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](C)C1 ZINC000617552430 365674251 /nfs/dbraw/zinc/67/42/51/365674251.db2.gz NUTHJAARSURBIJ-GFCCVEGCSA-N 2 2 250.346 0.895 20 0 CCADLP CCN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1CC[N@H+](C)C1 ZINC000617552430 365674257 /nfs/dbraw/zinc/67/42/57/365674257.db2.gz NUTHJAARSURBIJ-GFCCVEGCSA-N 2 2 250.346 0.895 20 0 CCADLP CCN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1CC[N@@H+](C)C1 ZINC000617552430 365674264 /nfs/dbraw/zinc/67/42/64/365674264.db2.gz NUTHJAARSURBIJ-GFCCVEGCSA-N 2 2 250.346 0.895 20 0 CCADLP C1=C(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)COCC1 ZINC000093665191 349549389 /nfs/dbraw/zinc/54/93/89/349549389.db2.gz WDSSWROFRBNERI-AWEZNQCLSA-N 2 2 266.385 0.987 20 0 CCADLP C1=C(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)COCC1 ZINC000093665191 349549392 /nfs/dbraw/zinc/54/93/92/349549392.db2.gz WDSSWROFRBNERI-AWEZNQCLSA-N 2 2 266.385 0.987 20 0 CCADLP Cc1cc2ncc([C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C)c(C)n2n1 ZINC000093406044 349541767 /nfs/dbraw/zinc/54/17/67/349541767.db2.gz QMPXSSFINONANZ-YPMHNXCESA-N 2 2 291.399 0.919 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](CCn2cc[nH+]c2C)C[C@H]1C ZINC000095019794 349582922 /nfs/dbraw/zinc/58/29/22/349582922.db2.gz BRWJVIHAZJSAIA-ZYHUDNBSSA-N 2 2 251.330 0.932 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](CCn2cc[nH+]c2C)C[C@H]1C ZINC000095019794 349582927 /nfs/dbraw/zinc/58/29/27/349582927.db2.gz BRWJVIHAZJSAIA-ZYHUDNBSSA-N 2 2 251.330 0.932 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)NC2CCC([NH3+])CC2)CCO1 ZINC000418383884 529391075 /nfs/dbraw/zinc/39/10/75/529391075.db2.gz JRNMZPMXRVUUPG-JXQTWKCFSA-N 2 2 298.431 0.666 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC2CCC([NH3+])CC2)CCO1 ZINC000418383884 529391078 /nfs/dbraw/zinc/39/10/78/529391078.db2.gz JRNMZPMXRVUUPG-JXQTWKCFSA-N 2 2 298.431 0.666 20 0 CCADLP C[NH2+]CCC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000043620024 290641424 /nfs/dbraw/zinc/64/14/24/290641424.db2.gz ZJZDCFLLMQWYQL-LBPRGKRZSA-N 2 2 297.424 0.847 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000418727013 529445748 /nfs/dbraw/zinc/44/57/48/529445748.db2.gz MBZONQGFBJSJQM-AWEZNQCLSA-N 2 2 291.399 0.646 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000423674552 529452402 /nfs/dbraw/zinc/45/24/02/529452402.db2.gz GXKLCGVGXAQDTK-STQMWFEESA-N 2 2 269.389 0.341 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000423674552 529452404 /nfs/dbraw/zinc/45/24/04/529452404.db2.gz GXKLCGVGXAQDTK-STQMWFEESA-N 2 2 269.389 0.341 20 0 CCADLP COC[C@@H]([NH3+])C(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000262181526 536662514 /nfs/dbraw/zinc/66/25/14/536662514.db2.gz BNDLTLBXQOXPFP-LLVKDONJSA-N 2 2 262.313 0.233 20 0 CCADLP CC[C@@]1(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)CCC[NH2+]1 ZINC000449657416 529519279 /nfs/dbraw/zinc/51/92/79/529519279.db2.gz OZPJOCQZQMAXBQ-PWSUYJOCSA-N 2 2 275.343 0.880 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000418704337 529559650 /nfs/dbraw/zinc/55/96/50/529559650.db2.gz RKNAANHDWCFDPF-DGCLKSJQSA-N 2 2 278.356 0.982 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)N(CCOC)CC[NH+](C)C ZINC000492271404 529549731 /nfs/dbraw/zinc/54/97/31/529549731.db2.gz GETNQQZBWITUGC-VOTSOKGWSA-N 2 2 294.399 0.953 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000105130153 349719799 /nfs/dbraw/zinc/71/97/99/349719799.db2.gz OGIPGEXUJPAXMS-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC000105328865 349722511 /nfs/dbraw/zinc/72/25/11/349722511.db2.gz AXSRFZLSKFRNSO-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP C[N@H+]1CCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC000105328865 349722514 /nfs/dbraw/zinc/72/25/14/349722514.db2.gz AXSRFZLSKFRNSO-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP CN(C(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)C1CCCCC1 ZINC000107576091 349738492 /nfs/dbraw/zinc/73/84/92/349738492.db2.gz XNDGZYRWUHMSSV-CHWSQXEVSA-N 2 2 265.401 0.929 20 0 CCADLP COC(=O)c1cnc(C[NH2+][C@@](C)(C[NH3+])C2CC2)cn1 ZINC000600707458 362039315 /nfs/dbraw/zinc/03/93/15/362039315.db2.gz YUINRBINVDEJOK-ZDUSSCGKSA-N 2 2 264.329 0.480 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600728175 362046916 /nfs/dbraw/zinc/04/69/16/362046916.db2.gz SDQOTCJQOUHLQM-PRJMDXOYSA-N 2 2 296.293 0.029 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600728175 362046923 /nfs/dbraw/zinc/04/69/23/362046923.db2.gz SDQOTCJQOUHLQM-PRJMDXOYSA-N 2 2 296.293 0.029 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1[nH]nc2ccccc21 ZINC000600812035 362067154 /nfs/dbraw/zinc/06/71/54/362067154.db2.gz IFZMJJARHQWQFO-LBPRGKRZSA-N 2 2 273.384 0.898 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1[nH]nc2ccccc21 ZINC000600812035 362067156 /nfs/dbraw/zinc/06/71/56/362067156.db2.gz IFZMJJARHQWQFO-LBPRGKRZSA-N 2 2 273.384 0.898 20 0 CCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000113499900 349813418 /nfs/dbraw/zinc/81/34/18/349813418.db2.gz UCRIUKRMMLQFDK-CYBMUJFWSA-N 2 2 276.384 0.848 20 0 CCADLP CCc1nocc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617763073 365765972 /nfs/dbraw/zinc/76/59/72/365765972.db2.gz CTFHWTFTSQHENU-UHFFFAOYSA-N 2 2 282.388 0.850 20 0 CCADLP CCc1nocc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617763073 365765978 /nfs/dbraw/zinc/76/59/78/365765978.db2.gz CTFHWTFTSQHENU-UHFFFAOYSA-N 2 2 282.388 0.850 20 0 CCADLP CCn1ccnc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764460 365768388 /nfs/dbraw/zinc/76/83/88/365768388.db2.gz YPEZLXMJIBNDKK-UHFFFAOYSA-N 2 2 281.404 0.516 20 0 CCADLP CCn1ccnc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764460 365768395 /nfs/dbraw/zinc/76/83/95/365768395.db2.gz YPEZLXMJIBNDKK-UHFFFAOYSA-N 2 2 281.404 0.516 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H](O)C1CCCCC1 ZINC000617764925 365768866 /nfs/dbraw/zinc/76/88/66/365768866.db2.gz MGBQXLBSENMABP-OAHLLOKOSA-N 2 2 299.459 0.927 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H](O)C1CCCCC1 ZINC000617764925 365768872 /nfs/dbraw/zinc/76/88/72/365768872.db2.gz MGBQXLBSENMABP-OAHLLOKOSA-N 2 2 299.459 0.927 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)CCC1=O ZINC000617765853 365770299 /nfs/dbraw/zinc/77/02/99/365770299.db2.gz SZCYDBCHWBWYBT-KBPBESRZSA-N 2 2 297.443 0.991 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCC1=O ZINC000617765853 365770303 /nfs/dbraw/zinc/77/03/03/365770303.db2.gz SZCYDBCHWBWYBT-KBPBESRZSA-N 2 2 297.443 0.991 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCn1cccn1 ZINC000617767917 365773418 /nfs/dbraw/zinc/77/34/18/365773418.db2.gz IBOIAUHPRQBLGN-UHFFFAOYSA-N 2 2 281.404 0.273 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCn1cccn1 ZINC000617767917 365773424 /nfs/dbraw/zinc/77/34/24/365773424.db2.gz IBOIAUHPRQBLGN-UHFFFAOYSA-N 2 2 281.404 0.273 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCSC1 ZINC000617765656 365771070 /nfs/dbraw/zinc/77/10/70/365771070.db2.gz LBEUPPOFQQRKTE-LBPRGKRZSA-N 2 2 273.446 0.739 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCSC1 ZINC000617765656 365771074 /nfs/dbraw/zinc/77/10/74/365771074.db2.gz LBEUPPOFQQRKTE-LBPRGKRZSA-N 2 2 273.446 0.739 20 0 CCADLP Cc1cc(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)n[nH]1 ZINC000617765840 365771467 /nfs/dbraw/zinc/77/14/67/365771467.db2.gz SCOCZQWBWPCPOX-UHFFFAOYSA-N 2 2 281.404 0.260 20 0 CCADLP Cc1cc(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)n[nH]1 ZINC000617765840 365771468 /nfs/dbraw/zinc/77/14/68/365771468.db2.gz SCOCZQWBWPCPOX-UHFFFAOYSA-N 2 2 281.404 0.260 20 0 CCADLP Cc1cc(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)[nH]n1 ZINC000617765840 365771471 /nfs/dbraw/zinc/77/14/71/365771471.db2.gz SCOCZQWBWPCPOX-UHFFFAOYSA-N 2 2 281.404 0.260 20 0 CCADLP Cc1cc(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)[nH]n1 ZINC000617765840 365771475 /nfs/dbraw/zinc/77/14/75/365771475.db2.gz SCOCZQWBWPCPOX-UHFFFAOYSA-N 2 2 281.404 0.260 20 0 CCADLP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)CCC[NH3+])C1 ZINC000423879928 529782966 /nfs/dbraw/zinc/78/29/66/529782966.db2.gz VTZLHTZFLFJEDP-CYBMUJFWSA-N 2 2 269.389 0.295 20 0 CCADLP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)CCC[NH3+])C1 ZINC000423879928 529782968 /nfs/dbraw/zinc/78/29/68/529782968.db2.gz VTZLHTZFLFJEDP-CYBMUJFWSA-N 2 2 269.389 0.295 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)c2ccnc(C[NH3+])c2)n1C ZINC000361618279 529808840 /nfs/dbraw/zinc/80/88/40/529808840.db2.gz AQZFIERDHDOPCF-UHFFFAOYSA-N 2 2 288.355 0.270 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)n1C ZINC000425377744 529810014 /nfs/dbraw/zinc/81/00/14/529810014.db2.gz HXILEOOBGCRPDH-VXGBXAGGSA-N 2 2 282.388 0.221 20 0 CCADLP CN(C)c1nc(NC[C@@H]2CCC[N@@H+]2CCCO)cc[nH+]1 ZINC000450595237 529812411 /nfs/dbraw/zinc/81/24/11/529812411.db2.gz LWJZRIZEIAMIPJ-LBPRGKRZSA-N 2 2 279.388 0.223 20 0 CCADLP CN(C)c1nc(NC[C@@H]2CCC[N@H+]2CCCO)cc[nH+]1 ZINC000450595237 529812413 /nfs/dbraw/zinc/81/24/13/529812413.db2.gz LWJZRIZEIAMIPJ-LBPRGKRZSA-N 2 2 279.388 0.223 20 0 CCADLP C[N@H+](CC(=O)NCC1CCC1)[C@H]1CCC[NH2+]CC1 ZINC000435621751 529833330 /nfs/dbraw/zinc/83/33/30/529833330.db2.gz OLACYWYYYZRCLV-ZDUSSCGKSA-N 2 2 253.390 0.977 20 0 CCADLP C[N@@H+](CC(=O)NCC1CCC1)[C@H]1CCC[NH2+]CC1 ZINC000435621751 529833331 /nfs/dbraw/zinc/83/33/31/529833331.db2.gz OLACYWYYYZRCLV-ZDUSSCGKSA-N 2 2 253.390 0.977 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000128053765 187348514 /nfs/dbraw/zinc/34/85/14/187348514.db2.gz IMBRVTRYDJJCFY-ILXRZTDVSA-N 3 2 296.459 0.504 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000128053765 187348516 /nfs/dbraw/zinc/34/85/16/187348516.db2.gz IMBRVTRYDJJCFY-ILXRZTDVSA-N 3 2 296.459 0.504 20 0 CCADLP C[C@@H]1C[NH+](C)CC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000128053765 187348517 /nfs/dbraw/zinc/34/85/17/187348517.db2.gz IMBRVTRYDJJCFY-ILXRZTDVSA-N 3 2 296.459 0.504 20 0 CCADLP C[C@@H]1C[NH+](C)CC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000128053765 187348519 /nfs/dbraw/zinc/34/85/19/187348519.db2.gz IMBRVTRYDJJCFY-ILXRZTDVSA-N 3 2 296.459 0.504 20 0 CCADLP CNC(=O)NC1CC[NH+](Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000425370549 529882724 /nfs/dbraw/zinc/88/27/24/529882724.db2.gz OOFYBYVQYVSHME-UHFFFAOYSA-N 2 2 294.403 0.380 20 0 CCADLP NS(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000128159325 187354443 /nfs/dbraw/zinc/35/44/43/187354443.db2.gz FZYLQBHAACLVIB-LLVKDONJSA-N 2 2 299.396 0.136 20 0 CCADLP NS(=O)(=O)c1ccc(OCC[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000128159325 187354445 /nfs/dbraw/zinc/35/44/45/187354445.db2.gz FZYLQBHAACLVIB-LLVKDONJSA-N 2 2 299.396 0.136 20 0 CCADLP C[NH+](C)C[C@H]1CCN(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000127068499 187280060 /nfs/dbraw/zinc/28/00/60/187280060.db2.gz KIYOLFDVUNWYAW-CYBMUJFWSA-N 2 2 279.388 0.866 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H](C2N=NC(=O)O2)C1)C1CC1 ZINC000450901733 529959472 /nfs/dbraw/zinc/95/94/72/529959472.db2.gz IJCDOPOHWWWOAI-JQWIXIFHSA-N 2 2 296.371 0.410 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H](C2N=NC(=O)O2)C1)C1CC1 ZINC000450901733 529959473 /nfs/dbraw/zinc/95/94/73/529959473.db2.gz IJCDOPOHWWWOAI-JQWIXIFHSA-N 2 2 296.371 0.410 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1)C1CC1 ZINC000450901733 529959474 /nfs/dbraw/zinc/95/94/74/529959474.db2.gz IJCDOPOHWWWOAI-JQWIXIFHSA-N 2 2 296.371 0.410 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1)C1CC1 ZINC000450901733 529959475 /nfs/dbraw/zinc/95/94/75/529959475.db2.gz IJCDOPOHWWWOAI-JQWIXIFHSA-N 2 2 296.371 0.410 20 0 CCADLP C[NH2+]CCCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000417922875 529969628 /nfs/dbraw/zinc/96/96/28/529969628.db2.gz JTESFPZHDOZEAW-GFCCVEGCSA-N 2 2 277.372 0.569 20 0 CCADLP C[C@H](NC(=O)N1CC[NH2+][C@H](C)[C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000417521308 299108928 /nfs/dbraw/zinc/10/89/28/299108928.db2.gz PEIZQYUPJHTVSL-ZOBORPQBSA-N 2 2 298.431 0.487 20 0 CCADLP CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000602019535 362460251 /nfs/dbraw/zinc/46/02/51/362460251.db2.gz FYMSZRIOZXHKLP-SBEAFCBVSA-N 2 2 282.384 0.781 20 0 CCADLP CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000602019535 362460252 /nfs/dbraw/zinc/46/02/52/362460252.db2.gz FYMSZRIOZXHKLP-SBEAFCBVSA-N 2 2 282.384 0.781 20 0 CCADLP C[N@@H+](CC(=O)NC1CCCCCC1)C[C@H](O)C[NH3+] ZINC000336795096 282353763 /nfs/dbraw/zinc/35/37/63/282353763.db2.gz HVMRRFDKMXWEDY-GFCCVEGCSA-N 2 2 257.378 0.077 20 0 CCADLP C[N@H+](CC(=O)NC1CCCCCC1)C[C@H](O)C[NH3+] ZINC000336795096 282353765 /nfs/dbraw/zinc/35/37/65/282353765.db2.gz HVMRRFDKMXWEDY-GFCCVEGCSA-N 2 2 257.378 0.077 20 0 CCADLP C[N@@H+]1CCN(C(=O)/C=C/C2CCOCC2)[C@H](C[NH3+])C1 ZINC000493718052 530065911 /nfs/dbraw/zinc/06/59/11/530065911.db2.gz NPSQORTXUNSUHQ-YWVDXFKGSA-N 2 2 267.373 0.071 20 0 CCADLP C[N@H+]1CCN(C(=O)/C=C/C2CCOCC2)[C@H](C[NH3+])C1 ZINC000493718052 530065912 /nfs/dbraw/zinc/06/59/12/530065912.db2.gz NPSQORTXUNSUHQ-YWVDXFKGSA-N 2 2 267.373 0.071 20 0 CCADLP C[N@@H+]1CCN(C(=O)/C=C/c2cscn2)[C@@H](C[NH3+])C1 ZINC000493791911 530066074 /nfs/dbraw/zinc/06/60/74/530066074.db2.gz ZUUAXQFHTYZZPE-VUDBWIFFSA-N 2 2 266.370 0.258 20 0 CCADLP C[N@H+]1CCN(C(=O)/C=C/c2cscn2)[C@@H](C[NH3+])C1 ZINC000493791911 530066075 /nfs/dbraw/zinc/06/60/75/530066075.db2.gz ZUUAXQFHTYZZPE-VUDBWIFFSA-N 2 2 266.370 0.258 20 0 CCADLP CN1C(=O)NCC12CC[NH+](CCCn1cc[nH+]c1)CC2 ZINC000425547836 530045838 /nfs/dbraw/zinc/04/58/38/530045838.db2.gz VVRSORZAFIXYSY-UHFFFAOYSA-N 2 2 277.372 0.763 20 0 CCADLP C[NH+]1CCC(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC000424195499 530047876 /nfs/dbraw/zinc/04/78/76/530047876.db2.gz SWHJXSLSADYSDU-NSHDSACASA-N 2 2 275.343 0.689 20 0 CCADLP Cc1cc(C)n2c(C[NH2+]C[C@]3(O)CC[N@@H+](C)C3)cnc2n1 ZINC000358160310 232053874 /nfs/dbraw/zinc/05/38/74/232053874.db2.gz CXSIWWYKPQYUFO-OAHLLOKOSA-N 2 2 289.383 0.502 20 0 CCADLP Cc1cc(C)n2c(C[NH2+]C[C@]3(O)CC[N@H+](C)C3)cnc2n1 ZINC000358160310 232053878 /nfs/dbraw/zinc/05/38/78/232053878.db2.gz CXSIWWYKPQYUFO-OAHLLOKOSA-N 2 2 289.383 0.502 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N1CC[N@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000602502493 362648316 /nfs/dbraw/zinc/64/83/16/362648316.db2.gz LERIDDIEUJGVJR-NWDGAFQWSA-N 2 2 285.388 0.080 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N1CC[N@@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000602502493 362648319 /nfs/dbraw/zinc/64/83/19/362648319.db2.gz LERIDDIEUJGVJR-NWDGAFQWSA-N 2 2 285.388 0.080 20 0 CCADLP C[C@@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000119475098 349938059 /nfs/dbraw/zinc/93/80/59/349938059.db2.gz PUJNVTPYBGHQQR-DZGCQCFKSA-N 2 2 291.395 0.913 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)C1([NH+]2CCOCC2)CCC1 ZINC000367524171 232370825 /nfs/dbraw/zinc/37/08/25/232370825.db2.gz KDDSKLZXTLWBIF-UHFFFAOYSA-N 2 2 292.383 0.644 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)c1c[nH+]ccc1N ZINC000127564649 187315463 /nfs/dbraw/zinc/31/54/63/187315463.db2.gz LDRUDMPLRMDOBZ-JTQLQIEISA-N 2 2 264.329 0.114 20 0 CCADLP CCOC(=O)[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@@H]1CCCOC1 ZINC000602806322 362811056 /nfs/dbraw/zinc/81/10/56/362811056.db2.gz NJMXJGLJBYDXOZ-OCCSQVGLSA-N 2 2 295.383 0.911 20 0 CCADLP CCCS(=O)(=O)CC[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000261540654 137007039 /nfs/dbraw/zinc/00/70/39/137007039.db2.gz GXECOJGKIFTRIW-NWDGAFQWSA-N 2 2 262.419 0.728 20 0 CCADLP CCCS(=O)(=O)CC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000261540654 137007040 /nfs/dbraw/zinc/00/70/40/137007040.db2.gz GXECOJGKIFTRIW-NWDGAFQWSA-N 2 2 262.419 0.728 20 0 CCADLP CCC(CC)[C@H](C(=O)NC[C@@H](C)[NH2+]C)[NH+]1CCOCC1 ZINC000261648574 137014024 /nfs/dbraw/zinc/01/40/24/137014024.db2.gz DXHVJXWEOTXIMA-TZMCWYRMSA-N 2 2 285.432 0.848 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000261660769 137014287 /nfs/dbraw/zinc/01/42/87/137014287.db2.gz ZBVONABQVOQGEQ-MCIONIFRSA-N 2 2 265.401 0.786 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000261660769 137014288 /nfs/dbraw/zinc/01/42/88/137014288.db2.gz ZBVONABQVOQGEQ-MCIONIFRSA-N 2 2 265.401 0.786 20 0 CCADLP C[C@H]1CCC[C@H](NC(=O)C[NH+]2CCN(CC[NH3+])CC2)C1 ZINC000262954838 137056155 /nfs/dbraw/zinc/05/61/55/137056155.db2.gz KDBADLIFQTVUEN-KBPBESRZSA-N 2 2 282.432 0.258 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261740924 137017609 /nfs/dbraw/zinc/01/76/09/137017609.db2.gz LZYSJCFHLCBJHL-CQSZACIVSA-N 2 2 282.388 0.154 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261740924 137017610 /nfs/dbraw/zinc/01/76/10/137017610.db2.gz LZYSJCFHLCBJHL-CQSZACIVSA-N 2 2 282.388 0.154 20 0 CCADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)[C@@H](C)[NH3+])cc1 ZINC000261747292 137018045 /nfs/dbraw/zinc/01/80/45/137018045.db2.gz GZLXEFSSQPFMFZ-UKRRQHHQSA-N 2 2 291.395 0.832 20 0 CCADLP Cn1ccnc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261837833 137022251 /nfs/dbraw/zinc/02/22/51/137022251.db2.gz AEGYVZFOMHUEGH-JHJVBQTASA-N 2 2 264.373 0.667 20 0 CCADLP Cn1cc[nH+]c1CN1CC[NH2+]C[C@@H]1c1nccn1C ZINC000261924515 137026036 /nfs/dbraw/zinc/02/60/36/137026036.db2.gz BYUPLXWESOGZRE-LLVKDONJSA-N 2 2 260.345 0.300 20 0 CCADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)Nc3nccs3)C[C@H]12 ZINC000311214415 137073925 /nfs/dbraw/zinc/07/39/25/137073925.db2.gz MLWKIIKGBQCHSN-KXUCPTDWSA-N 2 2 266.370 0.751 20 0 CCADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)Nc3nccs3)C[C@H]12 ZINC000311214415 137073926 /nfs/dbraw/zinc/07/39/26/137073926.db2.gz MLWKIIKGBQCHSN-KXUCPTDWSA-N 2 2 266.370 0.751 20 0 CCADLP COc1ccc(OCC[N@H+](CC[NH3+])CCO)cc1 ZINC000342392337 137091040 /nfs/dbraw/zinc/09/10/40/137091040.db2.gz SUSLPKOWOHKXMG-UHFFFAOYSA-N 2 2 254.330 0.327 20 0 CCADLP COc1ccc(OCC[N@@H+](CC[NH3+])CCO)cc1 ZINC000342392337 137091041 /nfs/dbraw/zinc/09/10/41/137091041.db2.gz SUSLPKOWOHKXMG-UHFFFAOYSA-N 2 2 254.330 0.327 20 0 CCADLP CC[N@@H+]1CCCN(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000342473934 137095763 /nfs/dbraw/zinc/09/57/63/137095763.db2.gz VRXLNYQGDJWPIF-GASCZTMLSA-N 2 2 267.417 0.877 20 0 CCADLP CC[N@H+]1CCCN(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000342473934 137095764 /nfs/dbraw/zinc/09/57/64/137095764.db2.gz VRXLNYQGDJWPIF-GASCZTMLSA-N 2 2 267.417 0.877 20 0 CCADLP CC[NH+]1CCCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000342473934 137095765 /nfs/dbraw/zinc/09/57/65/137095765.db2.gz VRXLNYQGDJWPIF-GASCZTMLSA-N 2 2 267.417 0.877 20 0 CCADLP CC[NH+]1CCCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000342473934 137095766 /nfs/dbraw/zinc/09/57/66/137095766.db2.gz VRXLNYQGDJWPIF-GASCZTMLSA-N 2 2 267.417 0.877 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)CC[N@@H+]1C ZINC000263189818 137060068 /nfs/dbraw/zinc/06/00/68/137060068.db2.gz HSEDDQRMSNJWLA-KXUCPTDWSA-N 2 2 261.316 0.583 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)CC[N@H+]1C ZINC000263189818 137060069 /nfs/dbraw/zinc/06/00/69/137060069.db2.gz HSEDDQRMSNJWLA-KXUCPTDWSA-N 2 2 261.316 0.583 20 0 CCADLP C[C@@H]1CN(C)CC[NH+]1CCCN1CC[N@@H+](C)C[C@@H]1C ZINC000343703188 137150489 /nfs/dbraw/zinc/15/04/89/137150489.db2.gz GCLMKFOISSRAAB-GASCZTMLSA-N 2 2 268.449 0.648 20 0 CCADLP C[C@@H]1CN(C)CC[NH+]1CCCN1CC[N@H+](C)C[C@@H]1C ZINC000343703188 137150490 /nfs/dbraw/zinc/15/04/90/137150490.db2.gz GCLMKFOISSRAAB-GASCZTMLSA-N 2 2 268.449 0.648 20 0 CCADLP C[C@@H]1CN(C)CC[N@H+]1CCCN1CC[NH+](C)C[C@@H]1C ZINC000343703188 137150491 /nfs/dbraw/zinc/15/04/91/137150491.db2.gz GCLMKFOISSRAAB-GASCZTMLSA-N 2 2 268.449 0.648 20 0 CCADLP C[C@@H]1CN(C)CC[N@@H+]1CCCN1CC[NH+](C)C[C@@H]1C ZINC000343703188 137150492 /nfs/dbraw/zinc/15/04/92/137150492.db2.gz GCLMKFOISSRAAB-GASCZTMLSA-N 2 2 268.449 0.648 20 0 CCADLP C[C@@H]1C[N@H+](C)CCN1CCC[NH+]1CCN(C)C[C@@H]1C ZINC000343703188 137150493 /nfs/dbraw/zinc/15/04/93/137150493.db2.gz GCLMKFOISSRAAB-GASCZTMLSA-N 2 2 268.449 0.648 20 0 CCADLP C[C@@H]1C[N@@H+](C)CCN1CCC[NH+]1CCN(C)C[C@@H]1C ZINC000343703188 137150494 /nfs/dbraw/zinc/15/04/94/137150494.db2.gz GCLMKFOISSRAAB-GASCZTMLSA-N 2 2 268.449 0.648 20 0 CCADLP C[C@@H]1C[NH+](C)CCN1CCC[N@@H+]1CCN(C)C[C@@H]1C ZINC000343703188 137150495 /nfs/dbraw/zinc/15/04/95/137150495.db2.gz GCLMKFOISSRAAB-GASCZTMLSA-N 2 2 268.449 0.648 20 0 CCADLP C[C@@H]1C[NH+](C)CCN1CCC[N@H+]1CCN(C)C[C@@H]1C ZINC000343703188 137150496 /nfs/dbraw/zinc/15/04/96/137150496.db2.gz GCLMKFOISSRAAB-GASCZTMLSA-N 2 2 268.449 0.648 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000684432988 545668087 /nfs/dbraw/zinc/66/80/87/545668087.db2.gz FBAAQWMZZIYLOH-UHFFFAOYSA-N 3 2 295.431 0.305 20 0 CCADLP OC[C@@H](O)C[N@H+](CCCn1cc[nH+]c1)CCC(F)(F)F ZINC000343314366 137127233 /nfs/dbraw/zinc/12/72/33/137127233.db2.gz MYYOLJQXMZXGFZ-NSHDSACASA-N 2 2 295.305 0.881 20 0 CCADLP OC[C@@H](O)C[N@@H+](CCCn1cc[nH+]c1)CCC(F)(F)F ZINC000343314366 137127234 /nfs/dbraw/zinc/12/72/34/137127234.db2.gz MYYOLJQXMZXGFZ-NSHDSACASA-N 2 2 295.305 0.881 20 0 CCADLP C[C@@H]1CN(C)C[C@H]1[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000344242637 137185586 /nfs/dbraw/zinc/18/55/86/137185586.db2.gz ZXQQVTLPFPDYFC-UKRRQHHQSA-N 2 2 296.459 0.469 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000344260421 137186319 /nfs/dbraw/zinc/18/63/19/137186319.db2.gz LCYWUPYWAOXOKQ-ZIAGYGMSSA-N 3 2 282.432 0.080 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000344260421 137186320 /nfs/dbraw/zinc/18/63/20/137186320.db2.gz LCYWUPYWAOXOKQ-ZIAGYGMSSA-N 3 2 282.432 0.080 20 0 CCADLP C[N@H+](CC(=O)NCC[NH+]1CCC1)[C@@H]1CCSC1 ZINC000344711364 137209079 /nfs/dbraw/zinc/20/90/79/137209079.db2.gz DKXSJZWBELHWFH-LLVKDONJSA-N 2 2 257.403 0.246 20 0 CCADLP C[N@@H+](CC(=O)NCC[NH+]1CCC1)[C@@H]1CCSC1 ZINC000344711364 137209080 /nfs/dbraw/zinc/20/90/80/137209080.db2.gz DKXSJZWBELHWFH-LLVKDONJSA-N 2 2 257.403 0.246 20 0 CCADLP CC[C@H](C)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000339414628 215156780 /nfs/dbraw/zinc/15/67/80/215156780.db2.gz GZWITSQBUDOBTI-QWHCGFSZSA-N 2 2 253.390 0.929 20 0 CCADLP CC[C@H](C)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000339414628 215156782 /nfs/dbraw/zinc/15/67/82/215156782.db2.gz GZWITSQBUDOBTI-QWHCGFSZSA-N 2 2 253.390 0.929 20 0 CCADLP Cc1nccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)n1 ZINC000037998758 348222840 /nfs/dbraw/zinc/22/28/40/348222840.db2.gz GCTAOALZEBEQLL-CYBMUJFWSA-N 2 2 250.346 0.331 20 0 CCADLP O=C(Nc1ccc(-n2cc[nH+]c2)nc1)[C@H]1CSC[NH2+]1 ZINC000037027612 348181418 /nfs/dbraw/zinc/18/14/18/348181418.db2.gz SVPIBZZLXIOQEJ-SNVBAGLBSA-N 2 2 275.337 0.868 20 0 CCADLP O=C(C[NH2+]C1CC1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000037818465 348210061 /nfs/dbraw/zinc/21/00/61/348210061.db2.gz HCMNLWSERTYPQW-UHFFFAOYSA-N 2 2 274.368 0.478 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747017 348241099 /nfs/dbraw/zinc/24/10/99/348241099.db2.gz BUQXETCTJWYJOP-FUNVUKJBSA-N 2 2 296.415 0.827 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747017 348241101 /nfs/dbraw/zinc/24/11/01/348241101.db2.gz BUQXETCTJWYJOP-FUNVUKJBSA-N 2 2 296.415 0.827 20 0 CCADLP CC(C)C[C@@H](CNC(=O)[C@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000040430595 348233754 /nfs/dbraw/zinc/23/37/54/348233754.db2.gz XFTKPXFDRCHYIB-UONOGXRCSA-N 2 2 283.416 0.602 20 0 CCADLP COCCCNC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339434586 215168480 /nfs/dbraw/zinc/16/84/80/215168480.db2.gz UOMZFPOBEKXTMT-HNNXBMFYSA-N 2 2 283.416 0.557 20 0 CCADLP COCCCNC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339434586 215168482 /nfs/dbraw/zinc/16/84/82/215168482.db2.gz UOMZFPOBEKXTMT-HNNXBMFYSA-N 2 2 283.416 0.557 20 0 CCADLP COCCCNC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339434586 215168483 /nfs/dbraw/zinc/16/84/83/215168483.db2.gz UOMZFPOBEKXTMT-HNNXBMFYSA-N 2 2 283.416 0.557 20 0 CCADLP COCCCNC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339434586 215168485 /nfs/dbraw/zinc/16/84/85/215168485.db2.gz UOMZFPOBEKXTMT-HNNXBMFYSA-N 2 2 283.416 0.557 20 0 CCADLP NC(=O)NC(=O)CC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000346475196 137288756 /nfs/dbraw/zinc/28/87/56/137288756.db2.gz RXOKFHIXKVBDCR-NSHDSACASA-N 2 2 278.312 0.120 20 0 CCADLP NC(=O)NC(=O)CC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000346475196 137288757 /nfs/dbraw/zinc/28/87/57/137288757.db2.gz RXOKFHIXKVBDCR-NSHDSACASA-N 2 2 278.312 0.120 20 0 CCADLP CC[N@H+](CCO)CC[NH2+][C@@H](C)Cc1cccc(OC)n1 ZINC000346579293 137293534 /nfs/dbraw/zinc/29/35/34/137293534.db2.gz STVIUFBCUIBEJQ-ZDUSSCGKSA-N 2 2 281.400 0.925 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+][C@@H](C)Cc1cccc(OC)n1 ZINC000346579293 137293535 /nfs/dbraw/zinc/29/35/35/137293535.db2.gz STVIUFBCUIBEJQ-ZDUSSCGKSA-N 2 2 281.400 0.925 20 0 CCADLP c1cnn(C[C@H]2C[N@H+](C[C@H]3CCC[NH2+]C3)CCO2)c1 ZINC000346848863 137308281 /nfs/dbraw/zinc/30/82/81/137308281.db2.gz OKIUDFLEUWBPGE-UONOGXRCSA-N 2 2 264.373 0.584 20 0 CCADLP c1cnn(C[C@H]2C[N@@H+](C[C@H]3CCC[NH2+]C3)CCO2)c1 ZINC000346848863 137308282 /nfs/dbraw/zinc/30/82/82/137308282.db2.gz OKIUDFLEUWBPGE-UONOGXRCSA-N 2 2 264.373 0.584 20 0 CCADLP COC(=O)[C@](C)(O)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000602949088 362904570 /nfs/dbraw/zinc/90/45/70/362904570.db2.gz DXHLPNHTFPCOFC-OAHLLOKOSA-N 2 2 284.400 0.861 20 0 CCADLP C[NH+]1CCC(CC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)CC1 ZINC000347399505 137334674 /nfs/dbraw/zinc/33/46/74/137334674.db2.gz KYLXDBPYRJUOTO-KGLIPLIRSA-N 2 2 281.400 0.260 20 0 CCADLP C[NH+]1CCC(CC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)CC1 ZINC000347399505 137334675 /nfs/dbraw/zinc/33/46/75/137334675.db2.gz KYLXDBPYRJUOTO-KGLIPLIRSA-N 2 2 281.400 0.260 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+](C)CCN1CCOCC1 ZINC000347760869 137354835 /nfs/dbraw/zinc/35/48/35/137354835.db2.gz VACPZGGUWRVBQT-UHFFFAOYSA-N 2 2 252.362 0.227 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+](C)CCN1CCOCC1 ZINC000347760869 137354836 /nfs/dbraw/zinc/35/48/36/137354836.db2.gz VACPZGGUWRVBQT-UHFFFAOYSA-N 2 2 252.362 0.227 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cn1C ZINC000347913287 137364090 /nfs/dbraw/zinc/36/40/90/137364090.db2.gz XNXPZTWHMOPJBX-GFCCVEGCSA-N 2 2 265.357 0.996 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@H]2CCC[N@H+]2C)cn1C ZINC000347913287 137364091 /nfs/dbraw/zinc/36/40/91/137364091.db2.gz XNXPZTWHMOPJBX-GFCCVEGCSA-N 2 2 265.357 0.996 20 0 CCADLP O=C(CCOC1C[NH2+]C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000348990619 137382803 /nfs/dbraw/zinc/38/28/03/137382803.db2.gz LYGYRAABPWZCBN-UHFFFAOYSA-N 2 2 278.356 0.494 20 0 CCADLP O=C(CCOC1C[NH2+]C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000348990619 137382804 /nfs/dbraw/zinc/38/28/04/137382804.db2.gz LYGYRAABPWZCBN-UHFFFAOYSA-N 2 2 278.356 0.494 20 0 CCADLP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@@H]1CCC[NH2+]C1 ZINC000050162623 348469090 /nfs/dbraw/zinc/46/90/90/348469090.db2.gz BDOZVTWUEGDOST-VXGBXAGGSA-N 2 2 250.346 0.778 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(OC)CC2)CC1 ZINC000053906783 348536364 /nfs/dbraw/zinc/53/63/64/348536364.db2.gz NRXIUXWXLXIGQC-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nnnn2C)C1 ZINC000350180891 137413596 /nfs/dbraw/zinc/41/35/96/137413596.db2.gz IHGPFHDSEBSMJT-GFCCVEGCSA-N 2 2 282.392 0.143 20 0 CCADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nnnn2C)C1 ZINC000350180891 137413597 /nfs/dbraw/zinc/41/35/97/137413597.db2.gz IHGPFHDSEBSMJT-GFCCVEGCSA-N 2 2 282.392 0.143 20 0 CCADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC[NH2+]C1 ZINC000062113291 348663947 /nfs/dbraw/zinc/66/39/47/348663947.db2.gz FUUSMSVXQMDVME-GFCCVEGCSA-N 2 2 274.368 0.776 20 0 CCADLP CC[NH+](CC)CCOCC[NH2+]Cc1csnn1 ZINC000350259618 137414442 /nfs/dbraw/zinc/41/44/42/137414442.db2.gz DHSSOJXHQVQPDW-UHFFFAOYSA-N 2 2 258.391 0.986 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCn1nc2ccccn2c1=O ZINC000063195103 348682172 /nfs/dbraw/zinc/68/21/72/348682172.db2.gz QPQNSHDBMUDJNL-STQMWFEESA-N 2 2 289.383 0.698 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCn1nc2ccccn2c1=O ZINC000063195103 348682176 /nfs/dbraw/zinc/68/21/76/348682176.db2.gz QPQNSHDBMUDJNL-STQMWFEESA-N 2 2 289.383 0.698 20 0 CCADLP c1ncn(CC[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC000069858842 348863422 /nfs/dbraw/zinc/86/34/22/348863422.db2.gz DXWHYAAWBILGEI-CQSZACIVSA-N 2 2 279.388 0.322 20 0 CCADLP c1ncn(CC[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC000069858842 348863423 /nfs/dbraw/zinc/86/34/23/348863423.db2.gz DXWHYAAWBILGEI-CQSZACIVSA-N 2 2 279.388 0.322 20 0 CCADLP COCCOCC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000070143987 348873474 /nfs/dbraw/zinc/87/34/74/348873474.db2.gz AWZSDYUHHVCTOP-UHFFFAOYSA-N 2 2 256.350 0.239 20 0 CCADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NC(=O)NCC(C)C)C1 ZINC000072857788 348935438 /nfs/dbraw/zinc/93/54/38/348935438.db2.gz QIWMWQPXVBEEAM-CYBMUJFWSA-N 2 2 298.431 0.742 20 0 CCADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NC(=O)NCC(C)C)C1 ZINC000072857788 348935440 /nfs/dbraw/zinc/93/54/40/348935440.db2.gz QIWMWQPXVBEEAM-CYBMUJFWSA-N 2 2 298.431 0.742 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC(=O)NCC(C)C)C1 ZINC000072857788 348935441 /nfs/dbraw/zinc/93/54/41/348935441.db2.gz QIWMWQPXVBEEAM-CYBMUJFWSA-N 2 2 298.431 0.742 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC(=O)NCC(C)C)C1 ZINC000072857788 348935443 /nfs/dbraw/zinc/93/54/43/348935443.db2.gz QIWMWQPXVBEEAM-CYBMUJFWSA-N 2 2 298.431 0.742 20 0 CCADLP CC(C)c1[nH+]ccn1CCC(=O)NCC[NH+]1CCOCC1 ZINC000074166784 348978007 /nfs/dbraw/zinc/97/80/07/348978007.db2.gz XDSFPQPFQNKGMJ-UHFFFAOYSA-N 2 2 294.399 0.845 20 0 CCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Cn1cc[nH+]c1 ZINC000073887466 348964804 /nfs/dbraw/zinc/96/48/04/348964804.db2.gz WASNFENQBMACFE-LBPRGKRZSA-N 2 2 250.346 0.682 20 0 CCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Cn1cc[nH+]c1 ZINC000073887466 348964806 /nfs/dbraw/zinc/96/48/06/348964806.db2.gz WASNFENQBMACFE-LBPRGKRZSA-N 2 2 250.346 0.682 20 0 CCADLP C[C@@H]1[C@@H](C)C[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000339563981 215244733 /nfs/dbraw/zinc/24/47/33/215244733.db2.gz OCSTWRFFHDSROE-QWHCGFSZSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1[C@@H](C)C[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000339563981 215244734 /nfs/dbraw/zinc/24/47/34/215244734.db2.gz OCSTWRFFHDSROE-QWHCGFSZSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1nccs1 ZINC000080304104 349207616 /nfs/dbraw/zinc/20/76/16/349207616.db2.gz IXYGZBLWJSOQFB-NSHDSACASA-N 2 2 282.413 0.958 20 0 CCADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NCC(=O)OC)C1 ZINC000081516357 349271295 /nfs/dbraw/zinc/27/12/95/349271295.db2.gz CRARNAYKWNUODT-QWHCGFSZSA-N 2 2 299.415 0.328 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NCC(=O)OC)C1 ZINC000081516357 349271298 /nfs/dbraw/zinc/27/12/98/349271298.db2.gz CRARNAYKWNUODT-QWHCGFSZSA-N 2 2 299.415 0.328 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NCC(=O)OC)C1 ZINC000081516357 349271301 /nfs/dbraw/zinc/27/13/01/349271301.db2.gz CRARNAYKWNUODT-QWHCGFSZSA-N 2 2 299.415 0.328 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)NCC(=O)OC)C1 ZINC000081516357 349271304 /nfs/dbraw/zinc/27/13/04/349271304.db2.gz CRARNAYKWNUODT-QWHCGFSZSA-N 2 2 299.415 0.328 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000081569150 349275029 /nfs/dbraw/zinc/27/50/29/349275029.db2.gz SGJLKHJDJYJAGR-HNNXBMFYSA-N 2 2 269.433 0.982 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000081569150 349275032 /nfs/dbraw/zinc/27/50/32/349275032.db2.gz SGJLKHJDJYJAGR-HNNXBMFYSA-N 2 2 269.433 0.982 20 0 CCADLP CCCS(=O)(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000081571685 349275215 /nfs/dbraw/zinc/27/52/15/349275215.db2.gz VGIUKUXRAGDGER-UHFFFAOYSA-N 2 2 291.461 0.684 20 0 CCADLP CCCS(=O)(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000081571685 349275216 /nfs/dbraw/zinc/27/52/16/349275216.db2.gz VGIUKUXRAGDGER-UHFFFAOYSA-N 2 2 291.461 0.684 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CCNS(C)(=O)=O)C1 ZINC000081573003 349276357 /nfs/dbraw/zinc/27/63/57/349276357.db2.gz BWVRCCVOLKZALS-LBPRGKRZSA-N 2 2 277.434 0.199 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCNS(C)(=O)=O)C1 ZINC000081573003 349276362 /nfs/dbraw/zinc/27/63/62/349276362.db2.gz BWVRCCVOLKZALS-LBPRGKRZSA-N 2 2 277.434 0.199 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC000081573003 349276366 /nfs/dbraw/zinc/27/63/66/349276366.db2.gz BWVRCCVOLKZALS-LBPRGKRZSA-N 2 2 277.434 0.199 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000081573003 349276369 /nfs/dbraw/zinc/27/63/69/349276369.db2.gz BWVRCCVOLKZALS-LBPRGKRZSA-N 2 2 277.434 0.199 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000087526944 349351618 /nfs/dbraw/zinc/35/16/18/349351618.db2.gz PFSJFXCTHDWLJA-HNNXBMFYSA-N 2 2 290.411 0.957 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCCNS(C)(=O)=O)C[N@@H+]1C1CC1 ZINC000121256783 350030162 /nfs/dbraw/zinc/03/01/62/350030162.db2.gz XUGUGBIYNMCIBV-QWRGUYRKSA-N 2 2 275.418 0.141 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCCNS(C)(=O)=O)C[N@H+]1C1CC1 ZINC000121256783 350030163 /nfs/dbraw/zinc/03/01/63/350030163.db2.gz XUGUGBIYNMCIBV-QWRGUYRKSA-N 2 2 275.418 0.141 20 0 CCADLP CC[C@H]1C[N@H+](CC(=O)NC(=O)NC(C)(C)C)CC[C@@H]1[NH3+] ZINC000122710113 350069347 /nfs/dbraw/zinc/06/93/47/350069347.db2.gz YGDCJYZYBMQBBT-QWRGUYRKSA-N 2 2 284.404 0.670 20 0 CCADLP CC[C@H]1C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)CC[C@@H]1[NH3+] ZINC000122710113 350069349 /nfs/dbraw/zinc/06/93/49/350069349.db2.gz YGDCJYZYBMQBBT-QWRGUYRKSA-N 2 2 284.404 0.670 20 0 CCADLP COC(=O)c1ccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000124246156 350093363 /nfs/dbraw/zinc/09/33/63/350093363.db2.gz VRNHWFFDOQQQNH-CQSZACIVSA-N 2 2 277.368 0.548 20 0 CCADLP COC(=O)c1ccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000124246156 350093366 /nfs/dbraw/zinc/09/33/66/350093366.db2.gz VRNHWFFDOQQQNH-CQSZACIVSA-N 2 2 277.368 0.548 20 0 CCADLP COc1cccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000124353526 350096510 /nfs/dbraw/zinc/09/65/10/350096510.db2.gz WDXCMRQEUIMBBF-LBPRGKRZSA-N 2 2 278.356 0.802 20 0 CCADLP COc1cccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000124353526 350096512 /nfs/dbraw/zinc/09/65/12/350096512.db2.gz WDXCMRQEUIMBBF-LBPRGKRZSA-N 2 2 278.356 0.802 20 0 CCADLP Cc1nc(N2CC[C@H](OCC[NH+](C)C)C2)cc[nH+]1 ZINC000339685020 215297792 /nfs/dbraw/zinc/29/77/92/215297792.db2.gz YKYULUDJERDPQD-LBPRGKRZSA-N 2 2 250.346 0.942 20 0 CCADLP COC(=O)CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000126418492 350145747 /nfs/dbraw/zinc/14/57/47/350145747.db2.gz KVENHIQSQQHDNI-UHFFFAOYSA-N 2 2 257.378 0.117 20 0 CCADLP COC(=O)CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000126418492 350145748 /nfs/dbraw/zinc/14/57/48/350145748.db2.gz KVENHIQSQQHDNI-UHFFFAOYSA-N 2 2 257.378 0.117 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)c1csc(CC[NH3+])n1 ZINC000090947917 180070919 /nfs/dbraw/zinc/07/09/19/180070919.db2.gz BVNZMNICUKRTAV-JTQLQIEISA-N 2 2 298.412 0.095 20 0 CCADLP O=C(C[C@H]1CSCC[NH2+]1)NCCCn1cc[nH+]c1 ZINC000091134302 180102530 /nfs/dbraw/zinc/10/25/30/180102530.db2.gz LQPXVGQDZWXIJR-NSHDSACASA-N 2 2 268.386 0.485 20 0 CCADLP C[C@H](CC[S@@](C)=O)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000127970302 350181494 /nfs/dbraw/zinc/18/14/94/350181494.db2.gz OZLBNMHUGLZAJL-MGNBDDOMSA-N 2 2 272.418 0.733 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCC[C@H](C(N)=O)C2)CC[N@@H+]1C ZINC000127953929 350181712 /nfs/dbraw/zinc/18/17/12/350181712.db2.gz XVFHWFZEZWUHCV-ILXRZTDVSA-N 3 2 296.459 0.646 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCC[C@H](C(N)=O)C2)CC[N@H+]1C ZINC000127953929 350181713 /nfs/dbraw/zinc/18/17/13/350181713.db2.gz XVFHWFZEZWUHCV-ILXRZTDVSA-N 3 2 296.459 0.646 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC[NH+]1C ZINC000127953929 350181714 /nfs/dbraw/zinc/18/17/14/350181714.db2.gz XVFHWFZEZWUHCV-ILXRZTDVSA-N 3 2 296.459 0.646 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)CC[NH+]1C ZINC000127953929 350181715 /nfs/dbraw/zinc/18/17/15/350181715.db2.gz XVFHWFZEZWUHCV-ILXRZTDVSA-N 3 2 296.459 0.646 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000091291332 180123149 /nfs/dbraw/zinc/12/31/49/180123149.db2.gz JOHPZTKJOXQJTC-SECBINFHSA-N 2 2 254.359 0.131 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000130426804 350236778 /nfs/dbraw/zinc/23/67/78/350236778.db2.gz LEKDLETZXVUDDZ-NSHDSACASA-N 2 2 262.357 0.763 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000131477570 350277489 /nfs/dbraw/zinc/27/74/89/350277489.db2.gz SMZAKMZVSKSCKE-NXEZZACHSA-N 2 2 278.381 0.925 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000131477570 350277490 /nfs/dbraw/zinc/27/74/90/350277490.db2.gz SMZAKMZVSKSCKE-NXEZZACHSA-N 2 2 278.381 0.925 20 0 CCADLP OCCCCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000131584538 350279718 /nfs/dbraw/zinc/27/97/18/350279718.db2.gz RNPUYSQZGMWUDP-CQSZACIVSA-N 2 2 256.390 0.803 20 0 CCADLP OCCCCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000131584538 350279720 /nfs/dbraw/zinc/27/97/20/350279720.db2.gz RNPUYSQZGMWUDP-CQSZACIVSA-N 2 2 256.390 0.803 20 0 CCADLP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000131579175 350280366 /nfs/dbraw/zinc/28/03/66/350280366.db2.gz NMKRJOHCPZQCOP-AWEZNQCLSA-N 2 2 283.416 0.507 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC000517326905 535125220 /nfs/dbraw/zinc/12/52/20/535125220.db2.gz RFTIHRIDKCBDNI-HUUCEWRRSA-N 2 2 296.415 0.190 20 0 CCADLP CC[C@]1(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CCC[NH2+]1 ZINC000134595719 350370353 /nfs/dbraw/zinc/37/03/53/350370353.db2.gz VQECUENQLVEYEU-GZBFAFLISA-N 2 2 283.416 0.744 20 0 CCADLP CCNC(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000136091695 350414373 /nfs/dbraw/zinc/41/43/73/350414373.db2.gz MEWVHFFZPCGXLW-NWDGAFQWSA-N 2 2 250.346 0.902 20 0 CCADLP CCNC(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000136091695 350414376 /nfs/dbraw/zinc/41/43/76/350414376.db2.gz MEWVHFFZPCGXLW-NWDGAFQWSA-N 2 2 250.346 0.902 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC000136167724 350416353 /nfs/dbraw/zinc/41/63/53/350416353.db2.gz NSMWGDUXCPVGMS-CQSZACIVSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@]1(C(=O)NCCCn2cc[nH+]c2)CCCC[NH2+]1 ZINC000136192663 350417579 /nfs/dbraw/zinc/41/75/79/350417579.db2.gz HEZGCOSBKOLPFI-CYBMUJFWSA-N 2 2 250.346 0.922 20 0 CCADLP COc1cc[nH+]c(CN2CC[NH+](CCO)CC2)c1 ZINC000106859357 186141847 /nfs/dbraw/zinc/14/18/47/186141847.db2.gz PYQJXXOWZOVSLX-UHFFFAOYSA-N 2 2 251.330 0.200 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3nccn3C)C2)CC1 ZINC000107370948 186171942 /nfs/dbraw/zinc/17/19/42/186171942.db2.gz AVUHMXMSHRDRHT-AWEZNQCLSA-N 2 2 277.416 0.632 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3nccn3C)C2)CC1 ZINC000107370948 186171943 /nfs/dbraw/zinc/17/19/43/186171943.db2.gz AVUHMXMSHRDRHT-AWEZNQCLSA-N 2 2 277.416 0.632 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NC(C)C)C2)CC1 ZINC000107372445 186172935 /nfs/dbraw/zinc/17/29/35/186172935.db2.gz JFGHTJFUXDNXGV-CQSZACIVSA-N 2 2 282.432 0.223 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NC(C)C)C2)CC1 ZINC000107372445 186172936 /nfs/dbraw/zinc/17/29/36/186172936.db2.gz JFGHTJFUXDNXGV-CQSZACIVSA-N 2 2 282.432 0.223 20 0 CCADLP CC(C)CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577215 186180255 /nfs/dbraw/zinc/18/02/55/186180255.db2.gz IYWUSKQLAXBJRC-UPJWGTAASA-N 2 2 253.390 0.688 20 0 CCADLP CC(C)CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577215 186180257 /nfs/dbraw/zinc/18/02/57/186180257.db2.gz IYWUSKQLAXBJRC-UPJWGTAASA-N 2 2 253.390 0.688 20 0 CCADLP CCS(=O)(=O)NCC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152337787 350525595 /nfs/dbraw/zinc/52/55/95/350525595.db2.gz BFFPMSSFXABLNF-LBPRGKRZSA-N 2 2 277.434 0.199 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152337787 350525599 /nfs/dbraw/zinc/52/55/99/350525599.db2.gz BFFPMSSFXABLNF-LBPRGKRZSA-N 2 2 277.434 0.199 20 0 CCADLP CCS(=O)(=O)NCC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000152337787 350525602 /nfs/dbraw/zinc/52/56/02/350525602.db2.gz BFFPMSSFXABLNF-LBPRGKRZSA-N 2 2 277.434 0.199 20 0 CCADLP CCS(=O)(=O)NCC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000152337787 350525603 /nfs/dbraw/zinc/52/56/03/350525603.db2.gz BFFPMSSFXABLNF-LBPRGKRZSA-N 2 2 277.434 0.199 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000154742704 350597521 /nfs/dbraw/zinc/59/75/21/350597521.db2.gz RIHNKHPTMUCBSD-HNNXBMFYSA-N 2 2 295.427 0.794 20 0 CCADLP CCC[NH+]1CCC([N@H+](C)CC(=O)NCCC(=O)OC)CC1 ZINC000109788387 186271427 /nfs/dbraw/zinc/27/14/27/186271427.db2.gz WMKNRLOLKUDVRN-UHFFFAOYSA-N 2 2 299.415 0.472 20 0 CCADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)NCCC(=O)OC)CC1 ZINC000109788387 186271429 /nfs/dbraw/zinc/27/14/29/186271429.db2.gz WMKNRLOLKUDVRN-UHFFFAOYSA-N 2 2 299.415 0.472 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157199447 350641302 /nfs/dbraw/zinc/64/13/02/350641302.db2.gz YHTFUWBDCXBYCT-RYUDHWBXSA-N 2 2 282.388 0.520 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157199447 350641304 /nfs/dbraw/zinc/64/13/04/350641304.db2.gz YHTFUWBDCXBYCT-RYUDHWBXSA-N 2 2 282.388 0.520 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C[NH+]1CCCC1 ZINC000157958717 350652624 /nfs/dbraw/zinc/65/26/24/350652624.db2.gz LHJRWDDKGDXKQV-RBSFLKMASA-N 3 2 267.417 0.660 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C[NH+]1CCCC1 ZINC000157958717 350652628 /nfs/dbraw/zinc/65/26/28/350652628.db2.gz LHJRWDDKGDXKQV-RBSFLKMASA-N 3 2 267.417 0.660 20 0 CCADLP Cn1cc(N2CC[NH+](CCn3cc[nH+]c3)CC2)cn1 ZINC000163205550 350762890 /nfs/dbraw/zinc/76/28/90/350762890.db2.gz UYYUJQGCSAIQLT-UHFFFAOYSA-N 2 2 260.345 0.439 20 0 CCADLP Cc1[nH+]ccn1-c1cncc(NC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000161900129 350730814 /nfs/dbraw/zinc/73/08/14/350730814.db2.gz RZRJUISREXGJOH-GFCCVEGCSA-N 2 2 288.355 0.713 20 0 CCADLP C[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1n1cc[nH+]c1 ZINC000163285182 350763616 /nfs/dbraw/zinc/76/36/16/350763616.db2.gz JSAVZQAINNKBCY-STQMWFEESA-N 2 2 290.367 0.915 20 0 CCADLP C[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1n1cc[nH+]c1 ZINC000163285182 350763618 /nfs/dbraw/zinc/76/36/18/350763618.db2.gz JSAVZQAINNKBCY-STQMWFEESA-N 2 2 290.367 0.915 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000162196091 350738195 /nfs/dbraw/zinc/73/81/95/350738195.db2.gz CSOWIACYXPKUEG-LBPRGKRZSA-N 2 2 263.345 0.291 20 0 CCADLP COc1ccccc1CCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000162293891 350740354 /nfs/dbraw/zinc/74/03/54/350740354.db2.gz GKKSAICEHWLIEG-CQSZACIVSA-N 2 2 291.395 0.729 20 0 CCADLP CC(C)([NH3+])C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000167960956 350817161 /nfs/dbraw/zinc/81/71/61/350817161.db2.gz ADDPPDFYAAXPRN-CQSZACIVSA-N 2 2 291.395 0.602 20 0 CCADLP C[C@@]1(C(=O)NCCCNc2cccc[nH+]2)CC[NH2+]C1 ZINC000165237098 350788943 /nfs/dbraw/zinc/78/89/43/350788943.db2.gz WLKBGIXBWWUWTG-CQSZACIVSA-N 2 2 262.357 0.999 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCC[NH2+]C1)Cn1cc[nH+]c1 ZINC000165580934 350791595 /nfs/dbraw/zinc/79/15/95/350791595.db2.gz YVAFPUPNMYEENW-NEPJUHHUSA-N 2 2 250.346 0.635 20 0 CCADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)[C@@H]1CCC[NH2+]1 ZINC000165975394 350794890 /nfs/dbraw/zinc/79/48/90/350794890.db2.gz XRPLPHRKLOLVOG-JSGCOSHPSA-N 2 2 299.440 0.063 20 0 CCADLP O=C([C@@H]1CSC[NH2+]1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000167400823 350809826 /nfs/dbraw/zinc/80/98/26/350809826.db2.gz UPDGPYHHHCOSFU-STQMWFEESA-N 2 2 299.440 0.220 20 0 CCADLP C[NH+](C)CC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000171401099 350906707 /nfs/dbraw/zinc/90/67/07/350906707.db2.gz BKQGVCWYZXSNEF-UHFFFAOYSA-N 2 2 259.313 0.445 20 0 CCADLP Cc1ncsc1CC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000172431314 350982693 /nfs/dbraw/zinc/98/26/93/350982693.db2.gz KAGORLQXJDMRBZ-UHFFFAOYSA-N 2 2 296.440 0.700 20 0 CCADLP CS(=O)(=O)NCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173872399 351059304 /nfs/dbraw/zinc/05/93/04/351059304.db2.gz CUQFQCMPQPAMFE-ZDUSSCGKSA-N 2 2 289.445 0.343 20 0 CCADLP CS(=O)(=O)NCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173872399 351059307 /nfs/dbraw/zinc/05/93/07/351059307.db2.gz CUQFQCMPQPAMFE-ZDUSSCGKSA-N 2 2 289.445 0.343 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC000174729940 351101035 /nfs/dbraw/zinc/10/10/35/351101035.db2.gz FREMVNHODQFUPX-CQSZACIVSA-N 2 2 297.443 0.897 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC000174729940 351101039 /nfs/dbraw/zinc/10/10/39/351101039.db2.gz FREMVNHODQFUPX-CQSZACIVSA-N 2 2 297.443 0.897 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](O)CC2)CC1 ZINC000339781877 215337781 /nfs/dbraw/zinc/33/77/81/215337781.db2.gz FLBBTKRKBNPELK-KBPBESRZSA-N 2 2 283.416 0.386 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](O)CC2)CC1 ZINC000339781877 215337782 /nfs/dbraw/zinc/33/77/82/215337782.db2.gz FLBBTKRKBNPELK-KBPBESRZSA-N 2 2 283.416 0.386 20 0 CCADLP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000174391885 351083256 /nfs/dbraw/zinc/08/32/56/351083256.db2.gz VGTIWLLYMSIKIL-ZDUSSCGKSA-N 2 2 294.399 0.843 20 0 CCADLP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000174391885 351083261 /nfs/dbraw/zinc/08/32/61/351083261.db2.gz VGTIWLLYMSIKIL-ZDUSSCGKSA-N 2 2 294.399 0.843 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000175980740 351153369 /nfs/dbraw/zinc/15/33/69/351153369.db2.gz ZVGAQODAUNSXKH-AWEZNQCLSA-N 2 2 283.416 0.557 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000175980740 351153370 /nfs/dbraw/zinc/15/33/70/351153370.db2.gz ZVGAQODAUNSXKH-AWEZNQCLSA-N 2 2 283.416 0.557 20 0 CCADLP CSCC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000178762949 351245014 /nfs/dbraw/zinc/24/50/14/351245014.db2.gz OYWXFECHVRXPNN-NSHDSACASA-N 2 2 289.445 0.294 20 0 CCADLP CSCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000178762949 351245019 /nfs/dbraw/zinc/24/50/19/351245019.db2.gz OYWXFECHVRXPNN-NSHDSACASA-N 2 2 289.445 0.294 20 0 CCADLP CCC[C@H]([NH3+])C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000178860476 351249339 /nfs/dbraw/zinc/24/93/39/351249339.db2.gz HSAIYRLWSLHIAI-RWMBFGLXSA-N 2 2 269.389 0.293 20 0 CCADLP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CCN(C)C2=O)CC1 ZINC000177492542 351205852 /nfs/dbraw/zinc/20/58/52/351205852.db2.gz AOKKNXICNDPEKZ-AWEZNQCLSA-N 2 2 283.416 0.696 20 0 CCADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1nccc(N)n1 ZINC000182958117 351371702 /nfs/dbraw/zinc/37/17/02/351371702.db2.gz DEGBSGFDVUSHGQ-UHFFFAOYSA-N 2 2 278.404 0.128 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@H](C)OC)CC1 ZINC000182130048 351348902 /nfs/dbraw/zinc/34/89/02/351348902.db2.gz AIQNGQQWRWJRRL-ZDUSSCGKSA-N 2 2 271.405 0.507 20 0 CCADLP CCc1nnc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)[nH]1 ZINC000185187935 351437422 /nfs/dbraw/zinc/43/74/22/351437422.db2.gz YTGYLMKEYKWDTL-UHFFFAOYSA-N 2 2 293.415 0.911 20 0 CCADLP C[N@@H+]1CCC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000618547968 366041681 /nfs/dbraw/zinc/04/16/81/366041681.db2.gz QYUZNTZDTXJXFM-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP C[N@H+]1CCC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000618547968 366041686 /nfs/dbraw/zinc/04/16/86/366041686.db2.gz QYUZNTZDTXJXFM-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H](O)C[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@@H](C)CO ZINC000190836463 351737277 /nfs/dbraw/zinc/73/72/77/351737277.db2.gz PPLGOKFEAQWZEE-QWHCGFSZSA-N 2 2 290.367 0.831 20 0 CCADLP C[C@@H](O)C[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@@H](C)CO ZINC000190836463 351737281 /nfs/dbraw/zinc/73/72/81/351737281.db2.gz PPLGOKFEAQWZEE-QWHCGFSZSA-N 2 2 290.367 0.831 20 0 CCADLP O=C(NCCn1cc[nH+]c1)c1ccc2c[nH+]cn2c1 ZINC000339850494 215366092 /nfs/dbraw/zinc/36/60/92/215366092.db2.gz KRXSEFSIHYVOFP-UHFFFAOYSA-N 2 2 255.281 0.961 20 0 CCADLP Nc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)ccn1 ZINC000191511397 351762185 /nfs/dbraw/zinc/76/21/85/351762185.db2.gz OZGMJQMGDCHOTK-AWEZNQCLSA-N 2 2 276.384 0.818 20 0 CCADLP Nc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)ccn1 ZINC000191511397 351762190 /nfs/dbraw/zinc/76/21/90/351762190.db2.gz OZGMJQMGDCHOTK-AWEZNQCLSA-N 2 2 276.384 0.818 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnn(C)c1 ZINC000122928602 187060739 /nfs/dbraw/zinc/06/07/39/187060739.db2.gz ZOELLGGNLYJMJU-UHFFFAOYSA-N 2 2 293.415 0.518 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnn(C)c1 ZINC000122928602 187060740 /nfs/dbraw/zinc/06/07/40/187060740.db2.gz ZOELLGGNLYJMJU-UHFFFAOYSA-N 2 2 293.415 0.518 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124300776 187131263 /nfs/dbraw/zinc/13/12/63/187131263.db2.gz HCQUKJQULPJSGC-LLVKDONJSA-N 2 2 250.346 0.872 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124300776 187131264 /nfs/dbraw/zinc/13/12/64/187131264.db2.gz HCQUKJQULPJSGC-LLVKDONJSA-N 2 2 250.346 0.872 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124300542 187131418 /nfs/dbraw/zinc/13/14/18/187131418.db2.gz HCQUKJQULPJSGC-NSHDSACASA-N 2 2 250.346 0.872 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124300542 187131419 /nfs/dbraw/zinc/13/14/19/187131419.db2.gz HCQUKJQULPJSGC-NSHDSACASA-N 2 2 250.346 0.872 20 0 CCADLP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000655411888 412561511 /nfs/dbraw/zinc/56/15/11/412561511.db2.gz ZCUCXGPCWJRYMV-QWHCGFSZSA-N 2 2 276.384 0.904 20 0 CCADLP COc1ccc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cn1 ZINC000228820321 352084141 /nfs/dbraw/zinc/08/41/41/352084141.db2.gz DGJCDNBJLJFSCF-ZDUSSCGKSA-N 2 2 264.373 0.426 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](O)C(F)(F)F)n1C ZINC000234288659 352156232 /nfs/dbraw/zinc/15/62/32/352156232.db2.gz WGKNVROAUUDONI-QMMMGPOBSA-N 2 2 266.267 0.499 20 0 CCADLP C[C@H]1C[C@H](C(=O)NCCCn2cc[nH+]c2)CC[NH2+]1 ZINC000235678254 352186924 /nfs/dbraw/zinc/18/69/24/352186924.db2.gz SSCMVAXDLDBETD-NWDGAFQWSA-N 2 2 250.346 0.778 20 0 CCADLP CCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000236808025 352218232 /nfs/dbraw/zinc/21/82/32/352218232.db2.gz OFDXPEAUMQEZRQ-OLZOCXBDSA-N 2 2 269.389 0.483 20 0 CCADLP CCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000236808025 352218234 /nfs/dbraw/zinc/21/82/34/352218234.db2.gz OFDXPEAUMQEZRQ-OLZOCXBDSA-N 2 2 269.389 0.483 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000237077046 352241391 /nfs/dbraw/zinc/24/13/91/352241391.db2.gz HFCWCEPKJVIMRY-CYZMBNFOSA-N 2 2 269.389 0.339 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000237077046 352241396 /nfs/dbraw/zinc/24/13/96/352241396.db2.gz HFCWCEPKJVIMRY-CYZMBNFOSA-N 2 2 269.389 0.339 20 0 CCADLP C[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000237409919 352264043 /nfs/dbraw/zinc/26/40/43/352264043.db2.gz LJQZBEKYEKCFKD-LBPRGKRZSA-N 2 2 276.384 0.720 20 0 CCADLP C[C@H](CNC(=O)[C@@H]([NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000237430652 352264640 /nfs/dbraw/zinc/26/46/40/352264640.db2.gz TWTKZQMIIOAHDQ-OCCSQVGLSA-N 2 2 277.368 0.523 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)[C@H]1CCC[NH2+]C1 ZINC000655413534 412563328 /nfs/dbraw/zinc/56/33/28/412563328.db2.gz CMIQAWYRVLUUFS-AVGNSLFASA-N 2 2 276.384 0.950 20 0 CCADLP C[C@H]1CN(c2ccc(CNC(=O)C[NH3+])c[nH+]2)C[C@H](C)O1 ZINC000237695539 352279948 /nfs/dbraw/zinc/27/99/48/352279948.db2.gz IBIBYZTVJVMKOP-QWRGUYRKSA-N 2 2 278.356 0.270 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000604192330 363181324 /nfs/dbraw/zinc/18/13/24/363181324.db2.gz XTWAHNVGQNJYDC-STQMWFEESA-N 2 2 296.415 0.243 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000604192330 363181329 /nfs/dbraw/zinc/18/13/29/363181329.db2.gz XTWAHNVGQNJYDC-STQMWFEESA-N 2 2 296.415 0.243 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000604192330 363181334 /nfs/dbraw/zinc/18/13/34/363181334.db2.gz XTWAHNVGQNJYDC-STQMWFEESA-N 2 2 296.415 0.243 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000604192330 363181340 /nfs/dbraw/zinc/18/13/40/363181340.db2.gz XTWAHNVGQNJYDC-STQMWFEESA-N 2 2 296.415 0.243 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)[C@H]2CCCC[NH2+]2)C[C@@H]1C ZINC000246167163 352351768 /nfs/dbraw/zinc/35/17/68/352351768.db2.gz AURFQADJWJWAPU-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP COCC[N@H+]1CCN(C(=O)[C@H]2CCCC[NH2+]2)C[C@@H]1C ZINC000246167163 352351772 /nfs/dbraw/zinc/35/17/72/352351772.db2.gz AURFQADJWJWAPU-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H](C(=O)N1CC[NH+](CCO)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000246261415 352357844 /nfs/dbraw/zinc/35/78/44/352357844.db2.gz KXSAFZOKEPTLDD-MGPQQGTHSA-N 2 2 283.416 0.384 20 0 CCADLP CSC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000249429895 352491174 /nfs/dbraw/zinc/49/11/74/352491174.db2.gz GTJXTOTZKMXVBU-QWHCGFSZSA-N 2 2 274.430 0.364 20 0 CCADLP CSC[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000249429895 352491178 /nfs/dbraw/zinc/49/11/78/352491178.db2.gz GTJXTOTZKMXVBU-QWHCGFSZSA-N 2 2 274.430 0.364 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH+]3CCC[C@H]3CO2)CC[N@@H+]1C ZINC000252214351 352513886 /nfs/dbraw/zinc/51/38/86/352513886.db2.gz YWABDVWNNWYWJR-KBXIAJHMSA-N 3 2 267.417 0.922 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH+]3CCC[C@H]3CO2)CC[N@H+]1C ZINC000252214351 352513887 /nfs/dbraw/zinc/51/38/87/352513887.db2.gz YWABDVWNNWYWJR-KBXIAJHMSA-N 3 2 267.417 0.922 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC[NH+]1C ZINC000252214351 352513888 /nfs/dbraw/zinc/51/38/88/352513888.db2.gz YWABDVWNNWYWJR-KBXIAJHMSA-N 3 2 267.417 0.922 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)CC[NH+]1C ZINC000252214351 352513889 /nfs/dbraw/zinc/51/38/89/352513889.db2.gz YWABDVWNNWYWJR-KBXIAJHMSA-N 3 2 267.417 0.922 20 0 CCADLP CCN1CCC[C@H]([NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)C1 ZINC000252961626 352527948 /nfs/dbraw/zinc/52/79/48/352527948.db2.gz OGWRNMAMDUKLFS-IHRRRGAJSA-N 2 2 255.406 0.827 20 0 CCADLP C[N@@H+]1CCN(Cc2cc(O)cc(F)c2)[C@H](C[NH3+])C1 ZINC000253079406 352528071 /nfs/dbraw/zinc/52/80/71/352528071.db2.gz UOSVFUSXKUDLSV-GFCCVEGCSA-N 2 2 253.321 0.606 20 0 CCADLP C[N@H+]1CCN(Cc2cc(O)cc(F)c2)[C@H](C[NH3+])C1 ZINC000253079406 352528074 /nfs/dbraw/zinc/52/80/74/352528074.db2.gz UOSVFUSXKUDLSV-GFCCVEGCSA-N 2 2 253.321 0.606 20 0 CCADLP c1nc(N2CCOCC2)cc(NC2CC[NH2+]CC2)[nH+]1 ZINC000258781800 352555571 /nfs/dbraw/zinc/55/55/71/352555571.db2.gz ZVPLDAZWHUDCSF-UHFFFAOYSA-N 2 2 263.345 0.477 20 0 CCADLP c1nc(NC2CC[NH2+]CC2)cc(N2CCOCC2)[nH+]1 ZINC000258781800 352555575 /nfs/dbraw/zinc/55/55/75/352555575.db2.gz ZVPLDAZWHUDCSF-UHFFFAOYSA-N 2 2 263.345 0.477 20 0 CCADLP COCCN(C)c1ccc(C[N@H+](C)[C@H](C)C[NH3+])cn1 ZINC000262046617 352572766 /nfs/dbraw/zinc/57/27/66/352572766.db2.gz ZBGFSAVDRPWZHX-GFCCVEGCSA-N 2 2 266.389 0.943 20 0 CCADLP COCCN(C)c1ccc(C[N@@H+](C)[C@H](C)C[NH3+])cn1 ZINC000262046617 352572771 /nfs/dbraw/zinc/57/27/71/352572771.db2.gz ZBGFSAVDRPWZHX-GFCCVEGCSA-N 2 2 266.389 0.943 20 0 CCADLP Cn1ccnc1[C@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CCN1C ZINC000262092361 352577987 /nfs/dbraw/zinc/57/79/87/352577987.db2.gz UXYJGYREKFVWRK-HIFRSBDPSA-N 2 2 277.416 0.708 20 0 CCADLP Cn1ccnc1[C@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CCN1C ZINC000262092361 352577991 /nfs/dbraw/zinc/57/79/91/352577991.db2.gz UXYJGYREKFVWRK-HIFRSBDPSA-N 2 2 277.416 0.708 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@H]1CCCC[NH2+]1 ZINC000262131949 352580763 /nfs/dbraw/zinc/58/07/63/352580763.db2.gz KNLCNRJZCCBQNZ-GFCCVEGCSA-N 2 2 262.357 0.906 20 0 CCADLP CCC[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000262144974 352583565 /nfs/dbraw/zinc/58/35/65/352583565.db2.gz PWVDAAKVMWRWBS-RYUDHWBXSA-N 2 2 285.388 0.210 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000266226052 352691268 /nfs/dbraw/zinc/69/12/68/352691268.db2.gz RUFZJDBENBVSDF-CYBMUJFWSA-N 2 2 264.373 0.986 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000423858831 535189808 /nfs/dbraw/zinc/18/98/08/535189808.db2.gz DXYPETAOPGHWCI-QWHCGFSZSA-N 2 2 299.415 0.470 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000423858831 535189816 /nfs/dbraw/zinc/18/98/16/535189816.db2.gz DXYPETAOPGHWCI-QWHCGFSZSA-N 2 2 299.415 0.470 20 0 CCADLP C[NH+](C)C1CN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C1 ZINC000273384159 353111591 /nfs/dbraw/zinc/11/15/91/353111591.db2.gz ZHMOFEURFHAFJF-GFCCVEGCSA-N 2 2 291.399 0.436 20 0 CCADLP C[NH+](C)CC(=O)Nc1cc(F)cc(NC(=O)C[NH+](C)C)c1 ZINC000292371562 198263317 /nfs/dbraw/zinc/26/33/17/198263317.db2.gz WRZBNWOILOUQSC-UHFFFAOYSA-N 2 2 296.346 0.826 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000292406572 198275673 /nfs/dbraw/zinc/27/56/73/198275673.db2.gz GUKLTGORGKOVEO-DGCLKSJQSA-N 2 2 262.357 0.760 20 0 CCADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[NH+](CC2CC2)CC1 ZINC000336443597 213307758 /nfs/dbraw/zinc/30/77/58/213307758.db2.gz AWDTZCBSBRCGJD-AWEZNQCLSA-N 2 2 288.395 1.000 20 0 CCADLP Cc1[nH+]ccn1CCCNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000278198926 353286782 /nfs/dbraw/zinc/28/67/82/353286782.db2.gz DYGAQEQYBKJEPJ-UHFFFAOYSA-N 2 2 286.343 0.953 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@@H](C)C[NH2+]1 ZINC000655452395 412578015 /nfs/dbraw/zinc/57/80/15/412578015.db2.gz WIDATWSKDIOZDI-GRYCIOLGSA-N 2 2 262.357 0.654 20 0 CCADLP C[C@@]1(C[NH3+])CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000655460333 412580224 /nfs/dbraw/zinc/58/02/24/412580224.db2.gz KZPKBSKWDVAJRE-RISCZKNCSA-N 2 2 262.357 0.643 20 0 CCADLP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1CCc2[nH+]ccn2C1 ZINC000655463372 412581802 /nfs/dbraw/zinc/58/18/02/412581802.db2.gz MFSSQBBOSHVFGD-DCAQKATOSA-N 2 2 266.320 0.262 20 0 CCADLP CCc1nc(N2CC[NH+](C[C@H](C)O)CC2)cc(C)[nH+]1 ZINC000286845682 353614200 /nfs/dbraw/zinc/61/42/00/353614200.db2.gz MBFGYBUMELMYHX-LBPRGKRZSA-N 2 2 264.373 0.850 20 0 CCADLP O=C1NCCN1CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000290161768 353712798 /nfs/dbraw/zinc/71/27/98/353712798.db2.gz DGFGRJQUHRNDDU-UHFFFAOYSA-N 2 2 263.345 0.614 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000290210313 353714716 /nfs/dbraw/zinc/71/47/16/353714716.db2.gz RZSRZBHRQJMJTC-NSHDSACASA-N 3 2 261.285 0.180 20 0 CCADLP C[N@H+](CCO)C1CC[NH+](Cc2c[nH]c3nccnc23)CC1 ZINC000290528109 353732764 /nfs/dbraw/zinc/73/27/64/353732764.db2.gz VBQLYAYJPCCFFG-UHFFFAOYSA-N 2 2 289.383 0.846 20 0 CCADLP C[N@@H+](CCO)C1CC[NH+](Cc2c[nH]c3nccnc23)CC1 ZINC000290528109 353732767 /nfs/dbraw/zinc/73/27/67/353732767.db2.gz VBQLYAYJPCCFFG-UHFFFAOYSA-N 2 2 289.383 0.846 20 0 CCADLP C[NH+](C)C[C@H]1CCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000293054993 353787928 /nfs/dbraw/zinc/78/79/28/353787928.db2.gz LVCAODSAMJSNRN-CYBMUJFWSA-N 2 2 291.399 0.701 20 0 CCADLP C[NH+](C)C[C@H]1CCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000293054993 353787931 /nfs/dbraw/zinc/78/79/31/353787931.db2.gz LVCAODSAMJSNRN-CYBMUJFWSA-N 2 2 291.399 0.701 20 0 CCADLP CC[N@@H+]1CC[C@H]2OCCN(C(=O)C=Cc3c[nH]c[nH+]3)[C@H]2C1 ZINC000293996584 353858353 /nfs/dbraw/zinc/85/83/53/353858353.db2.gz WZQGGCYNHUFOBK-PUWCWTCHSA-N 2 2 290.367 0.745 20 0 CCADLP CC[N@H+]1CC[C@H]2OCCN(C(=O)C=Cc3c[nH]c[nH+]3)[C@H]2C1 ZINC000293996584 353858357 /nfs/dbraw/zinc/85/83/57/353858357.db2.gz WZQGGCYNHUFOBK-PUWCWTCHSA-N 2 2 290.367 0.745 20 0 CCADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2nccnc2OC)C1 ZINC000294160263 353874339 /nfs/dbraw/zinc/87/43/39/353874339.db2.gz IHWVJHAMURJSOD-NSHDSACASA-N 2 2 250.346 0.917 20 0 CCADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2nccnc2OC)C1 ZINC000294160263 353874342 /nfs/dbraw/zinc/87/43/42/353874342.db2.gz IHWVJHAMURJSOD-NSHDSACASA-N 2 2 250.346 0.917 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655467870 412583782 /nfs/dbraw/zinc/58/37/82/412583782.db2.gz OGAIAKOSCGIUJI-ZFWWWQNUSA-N 2 2 281.400 0.167 20 0 CCADLP CCN(C)C(=O)[C@@H]([NH2+]CCn1cc[nH+]c1)C(C)C ZINC000296451145 353947961 /nfs/dbraw/zinc/94/79/61/353947961.db2.gz WOIONRIKSBMCMA-LBPRGKRZSA-N 2 2 252.362 0.976 20 0 CCADLP C[C@@H](O)CNc1cc(N2CC([NH+](C)C)C2)nc[nH+]1 ZINC000298942521 353979301 /nfs/dbraw/zinc/97/93/01/353979301.db2.gz PPSNIKQXNJIEIR-SECBINFHSA-N 2 2 251.334 0.020 20 0 CCADLP C[NH+](C)CC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000298041139 353961505 /nfs/dbraw/zinc/96/15/05/353961505.db2.gz JAYHEBTUYUFDFB-UHFFFAOYSA-N 2 2 278.356 0.096 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[NH+](C3CCC3)CC2)nc[nH+]1 ZINC000298318356 353962236 /nfs/dbraw/zinc/96/22/36/353962236.db2.gz RFFAXOPSAWFEFH-LBPRGKRZSA-N 2 2 291.399 0.944 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1cncc(F)c1 ZINC000300420099 354065056 /nfs/dbraw/zinc/06/50/56/354065056.db2.gz NVPDQLAKQAXMCX-CYBMUJFWSA-N 2 2 252.337 0.556 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1cncc(F)c1 ZINC000300420099 354065060 /nfs/dbraw/zinc/06/50/60/354065060.db2.gz NVPDQLAKQAXMCX-CYBMUJFWSA-N 2 2 252.337 0.556 20 0 CCADLP Nc1nc(-n2cccn2)cc(N2CC[NH+]3CCC2CC3)[nH+]1 ZINC000302782766 354088446 /nfs/dbraw/zinc/08/84/46/354088446.db2.gz SVRKISRRDBCXGC-UHFFFAOYSA-N 2 2 285.355 0.529 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](CCO)Cc1ccccc1 ZINC000309833169 354187298 /nfs/dbraw/zinc/18/72/98/354187298.db2.gz HEPCBCCHYMNNGA-HNNXBMFYSA-N 2 2 266.385 0.794 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](CCO)Cc1ccccc1 ZINC000309833169 354187302 /nfs/dbraw/zinc/18/73/02/354187302.db2.gz HEPCBCCHYMNNGA-HNNXBMFYSA-N 2 2 266.385 0.794 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](CCO)Cc1ccccc1 ZINC000309833169 354187307 /nfs/dbraw/zinc/18/73/07/354187307.db2.gz HEPCBCCHYMNNGA-HNNXBMFYSA-N 2 2 266.385 0.794 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](CCO)Cc1ccccc1 ZINC000309833169 354187312 /nfs/dbraw/zinc/18/73/12/354187312.db2.gz HEPCBCCHYMNNGA-HNNXBMFYSA-N 2 2 266.385 0.794 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@@]1(C)C[NH3+] ZINC000655477927 412587088 /nfs/dbraw/zinc/58/70/88/412587088.db2.gz JXPSMZJPVDTMAU-TYNCELHUSA-N 2 2 276.384 0.889 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCSC[C@H]1C ZINC000310564247 354190378 /nfs/dbraw/zinc/19/03/78/354190378.db2.gz WVMCRZOFTRXREJ-NEPJUHHUSA-N 2 2 262.419 0.363 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCSC[C@H]1C ZINC000310564247 354190380 /nfs/dbraw/zinc/19/03/80/354190380.db2.gz WVMCRZOFTRXREJ-NEPJUHHUSA-N 2 2 262.419 0.363 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCSC[C@H]1C ZINC000310564247 354190383 /nfs/dbraw/zinc/19/03/83/354190383.db2.gz WVMCRZOFTRXREJ-NEPJUHHUSA-N 2 2 262.419 0.363 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCSC[C@H]1C ZINC000310564247 354190385 /nfs/dbraw/zinc/19/03/85/354190385.db2.gz WVMCRZOFTRXREJ-NEPJUHHUSA-N 2 2 262.419 0.363 20 0 CCADLP CCOC(=O)C1CC[NH+](C[C@H](O)C[N@H+](C)CC)CC1 ZINC000311592368 354201753 /nfs/dbraw/zinc/20/17/53/354201753.db2.gz RBGBTARGQHXTBC-CYBMUJFWSA-N 2 2 272.389 0.574 20 0 CCADLP CCOC(=O)C1CC[NH+](C[C@H](O)C[N@@H+](C)CC)CC1 ZINC000311592368 354201756 /nfs/dbraw/zinc/20/17/56/354201756.db2.gz RBGBTARGQHXTBC-CYBMUJFWSA-N 2 2 272.389 0.574 20 0 CCADLP C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CCCO[C@H](C[NH3+])C2)C1 ZINC000313338345 354212860 /nfs/dbraw/zinc/21/28/60/354212860.db2.gz BLIFFFRUSTURRG-HZSPNIEDSA-N 2 2 283.416 0.541 20 0 CCADLP C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CCCO[C@H](C[NH3+])C2)C1 ZINC000313338345 354212866 /nfs/dbraw/zinc/21/28/66/354212866.db2.gz BLIFFFRUSTURRG-HZSPNIEDSA-N 2 2 283.416 0.541 20 0 CCADLP CCCCOC[C@H](O)C[NH2+]CCc1cn(C)c[nH+]1 ZINC000313256329 354213031 /nfs/dbraw/zinc/21/30/31/354213031.db2.gz UCJAEAWRCBLVGE-CYBMUJFWSA-N 2 2 255.362 0.730 20 0 CCADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)NC(=O)NC1CCCC1 ZINC000315067736 354223558 /nfs/dbraw/zinc/22/35/58/354223558.db2.gz LFKVZIYNFBJVOV-WCQYABFASA-N 2 2 294.399 0.439 20 0 CCADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)NC(=O)NC1CCCC1 ZINC000315067736 354223560 /nfs/dbraw/zinc/22/35/60/354223560.db2.gz LFKVZIYNFBJVOV-WCQYABFASA-N 2 2 294.399 0.439 20 0 CCADLP Cc1nc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)nc(N(C)C)[nH+]1 ZINC000330216348 354308361 /nfs/dbraw/zinc/30/83/61/354308361.db2.gz NARYRVWXHIIQLY-ONGXEEELSA-N 2 2 276.388 0.705 20 0 CCADLP Cc1nc(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)nc(N(C)C)[nH+]1 ZINC000330216348 354308364 /nfs/dbraw/zinc/30/83/64/354308364.db2.gz NARYRVWXHIIQLY-ONGXEEELSA-N 2 2 276.388 0.705 20 0 CCADLP C[C@@H](CNC(=O)CC(F)(F)C[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487704 412590519 /nfs/dbraw/zinc/59/05/19/412590519.db2.gz LPHJINPADJPRKY-GARJFASQSA-N 2 2 293.358 0.584 20 0 CCADLP C[C@@H](CNC(=O)CC(F)(F)C[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487704 412590522 /nfs/dbraw/zinc/59/05/22/412590522.db2.gz LPHJINPADJPRKY-GARJFASQSA-N 2 2 293.358 0.584 20 0 CCADLP C[C@H](CNC(=O)[C@H]1[NH2+]CC1(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488255 412591293 /nfs/dbraw/zinc/59/12/93/412591293.db2.gz XJTMYQHVTNOPPP-FVCCEPFGSA-N 2 2 283.416 0.598 20 0 CCADLP C[C@H](CNC(=O)[C@H]1[NH2+]CC1(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488255 412591297 /nfs/dbraw/zinc/59/12/97/412591297.db2.gz XJTMYQHVTNOPPP-FVCCEPFGSA-N 2 2 283.416 0.598 20 0 CCADLP CCOC[C@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000331185703 354482517 /nfs/dbraw/zinc/48/25/17/354482517.db2.gz OONZEJNQDWRTQA-GFCCVEGCSA-N 2 2 253.346 0.987 20 0 CCADLP CC(=O)[C@](C)(O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000331294920 354522742 /nfs/dbraw/zinc/52/27/42/354522742.db2.gz CKBOKNGBHHZULT-ZIAGYGMSSA-N 2 2 264.325 0.875 20 0 CCADLP CC(=O)[C@](C)(O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000331294920 354522744 /nfs/dbraw/zinc/52/27/44/354522744.db2.gz CKBOKNGBHHZULT-ZIAGYGMSSA-N 2 2 264.325 0.875 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000333703155 354779596 /nfs/dbraw/zinc/77/95/96/354779596.db2.gz DQFRMPYMEUZXJS-DZGCQCFKSA-N 2 2 298.431 0.396 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC000333705827 354779992 /nfs/dbraw/zinc/77/99/92/354779992.db2.gz RNMPNLMUBDKDBJ-NMKXLXIOSA-N 2 2 269.389 0.258 20 0 CCADLP Cn1cc[nH+]c1[C@H]1N(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1(C)C ZINC000333862277 354806763 /nfs/dbraw/zinc/80/67/63/354806763.db2.gz SIPFCMWZIWVRNS-NOOOWODRSA-N 2 2 289.383 0.730 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000423596422 235014080 /nfs/dbraw/zinc/01/40/80/235014080.db2.gz RPHIYLNOYPGMPN-YUELXQCFSA-N 2 2 295.427 0.744 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000423596422 235014083 /nfs/dbraw/zinc/01/40/83/235014083.db2.gz RPHIYLNOYPGMPN-YUELXQCFSA-N 2 2 295.427 0.744 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000423617242 235020444 /nfs/dbraw/zinc/02/04/44/235020444.db2.gz SRGKCFFCTMEYTL-CFVMTHIKSA-N 2 2 295.427 0.887 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000423617242 235020449 /nfs/dbraw/zinc/02/04/49/235020449.db2.gz SRGKCFFCTMEYTL-CFVMTHIKSA-N 2 2 295.427 0.887 20 0 CCADLP Cc1csc(=O)n1CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000335907519 355042952 /nfs/dbraw/zinc/04/29/52/355042952.db2.gz QTTNJUJFJOKEDT-RYUDHWBXSA-N 2 2 267.398 0.902 20 0 CCADLP Cc1csc(=O)n1CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000335907519 355042956 /nfs/dbraw/zinc/04/29/56/355042956.db2.gz QTTNJUJFJOKEDT-RYUDHWBXSA-N 2 2 267.398 0.902 20 0 CCADLP Cc1[nH+]ccn1CCCN(C)C(=O)[C@H]1CSC[NH2+]1 ZINC000423846480 235097359 /nfs/dbraw/zinc/09/73/59/235097359.db2.gz PKACRSCTAJTOOK-LLVKDONJSA-N 2 2 268.386 0.703 20 0 CCADLP C[C@]([NH3+])(C(=O)NCC[N@@H+]1CCCOCC1)c1ccccc1 ZINC000423818703 235090515 /nfs/dbraw/zinc/09/05/15/235090515.db2.gz DVEPWTXVLWDWMN-MRXNPFEDSA-N 2 2 291.395 0.699 20 0 CCADLP C[C@]([NH3+])(C(=O)NCC[N@H+]1CCCOCC1)c1ccccc1 ZINC000423818703 235090520 /nfs/dbraw/zinc/09/05/20/235090520.db2.gz DVEPWTXVLWDWMN-MRXNPFEDSA-N 2 2 291.395 0.699 20 0 CCADLP COCC[C@@]1(C(=O)N(C)CCCn2cc[nH+]c2)CC[NH2+]C1 ZINC000423824069 235091120 /nfs/dbraw/zinc/09/11/20/235091120.db2.gz JBBIMTSYLNOQPB-HNNXBMFYSA-N 2 2 294.399 0.748 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCSCC1 ZINC000336382427 355114458 /nfs/dbraw/zinc/11/44/58/355114458.db2.gz CICNAXYFQISSIB-QWHCGFSZSA-N 2 2 283.441 0.730 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCSCC1 ZINC000336382427 355114459 /nfs/dbraw/zinc/11/44/59/355114459.db2.gz CICNAXYFQISSIB-QWHCGFSZSA-N 2 2 283.441 0.730 20 0 CCADLP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1cnn(C)c1 ZINC000336791767 355164725 /nfs/dbraw/zinc/16/47/25/355164725.db2.gz OYJSTTZTQMYBDM-MFKMUULPSA-N 2 2 252.362 0.526 20 0 CCADLP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1cnn(C)c1 ZINC000336791767 355164727 /nfs/dbraw/zinc/16/47/27/355164727.db2.gz OYJSTTZTQMYBDM-MFKMUULPSA-N 2 2 252.362 0.526 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCCNC2=O)C1 ZINC000336692135 355137038 /nfs/dbraw/zinc/13/70/38/355137038.db2.gz BOBXVMZMPLACFZ-STQMWFEESA-N 2 2 253.390 0.929 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCCNC2=O)C1 ZINC000336692135 355137040 /nfs/dbraw/zinc/13/70/40/355137040.db2.gz BOBXVMZMPLACFZ-STQMWFEESA-N 2 2 253.390 0.929 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC000336692135 355137042 /nfs/dbraw/zinc/13/70/42/355137042.db2.gz BOBXVMZMPLACFZ-STQMWFEESA-N 2 2 253.390 0.929 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC000336692135 355137043 /nfs/dbraw/zinc/13/70/43/355137043.db2.gz BOBXVMZMPLACFZ-STQMWFEESA-N 2 2 253.390 0.929 20 0 CCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000336785414 355158576 /nfs/dbraw/zinc/15/85/76/355158576.db2.gz DHNMJMBVWPYAPL-OCCSQVGLSA-N 2 2 253.390 0.977 20 0 CCADLP CCCCNC(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000336785414 355158577 /nfs/dbraw/zinc/15/85/77/355158577.db2.gz DHNMJMBVWPYAPL-OCCSQVGLSA-N 2 2 253.390 0.977 20 0 CCADLP COCCO[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336837992 355209249 /nfs/dbraw/zinc/20/92/49/355209249.db2.gz MIUCOEJMWMVZDL-CABCVRRESA-N 2 2 286.416 0.569 20 0 CCADLP COCCO[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336837992 355209252 /nfs/dbraw/zinc/20/92/52/355209252.db2.gz MIUCOEJMWMVZDL-CABCVRRESA-N 2 2 286.416 0.569 20 0 CCADLP COCCO[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000336837992 355209254 /nfs/dbraw/zinc/20/92/54/355209254.db2.gz MIUCOEJMWMVZDL-CABCVRRESA-N 2 2 286.416 0.569 20 0 CCADLP COCCO[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336837992 355209255 /nfs/dbraw/zinc/20/92/55/355209255.db2.gz MIUCOEJMWMVZDL-CABCVRRESA-N 2 2 286.416 0.569 20 0 CCADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+]([C@H]2CCCNC2=O)C1 ZINC000336798753 355171163 /nfs/dbraw/zinc/17/11/63/355171163.db2.gz GGLXKVJQZDPBNG-KGLIPLIRSA-N 2 2 265.401 0.929 20 0 CCADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+]([C@H]2CCCNC2=O)C1 ZINC000336798753 355171167 /nfs/dbraw/zinc/17/11/67/355171167.db2.gz GGLXKVJQZDPBNG-KGLIPLIRSA-N 2 2 265.401 0.929 20 0 CCADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC000336798753 355171169 /nfs/dbraw/zinc/17/11/69/355171169.db2.gz GGLXKVJQZDPBNG-KGLIPLIRSA-N 2 2 265.401 0.929 20 0 CCADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC000336798753 355171172 /nfs/dbraw/zinc/17/11/72/355171172.db2.gz GGLXKVJQZDPBNG-KGLIPLIRSA-N 2 2 265.401 0.929 20 0 CCADLP CN1CC[C@@H]([N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)C1=O ZINC000336798503 355171526 /nfs/dbraw/zinc/17/15/26/355171526.db2.gz FCLVURZTILOHJS-UONOGXRCSA-N 2 2 265.401 0.881 20 0 CCADLP CN1CC[C@@H]([N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)C1=O ZINC000336798503 355171528 /nfs/dbraw/zinc/17/15/28/355171528.db2.gz FCLVURZTILOHJS-UONOGXRCSA-N 2 2 265.401 0.881 20 0 CCADLP CN1CC[C@@H]([NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)C1=O ZINC000336798503 355171531 /nfs/dbraw/zinc/17/15/31/355171531.db2.gz FCLVURZTILOHJS-UONOGXRCSA-N 2 2 265.401 0.881 20 0 CCADLP CN1CC[C@@H]([NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C1=O ZINC000336798503 355171533 /nfs/dbraw/zinc/17/15/33/355171533.db2.gz FCLVURZTILOHJS-UONOGXRCSA-N 2 2 265.401 0.881 20 0 CCADLP C[C@H]1C[C@@H]([NH+](C)CCN2CCCS2(=O)=O)CC[N@@H+]1C ZINC000336800181 355174310 /nfs/dbraw/zinc/17/43/10/355174310.db2.gz LFURRYXUVPQWBY-STQMWFEESA-N 2 2 289.445 0.436 20 0 CCADLP C[C@H]1C[C@@H]([NH+](C)CCN2CCCS2(=O)=O)CC[N@H+]1C ZINC000336800181 355174315 /nfs/dbraw/zinc/17/43/15/355174315.db2.gz LFURRYXUVPQWBY-STQMWFEESA-N 2 2 289.445 0.436 20 0 CCADLP C[C@H]1C[C@@H]([N@H+](C)CCN2CCCS2(=O)=O)CC[NH+]1C ZINC000336800181 355174320 /nfs/dbraw/zinc/17/43/20/355174320.db2.gz LFURRYXUVPQWBY-STQMWFEESA-N 2 2 289.445 0.436 20 0 CCADLP C[C@H]1C[C@@H]([N@@H+](C)CCN2CCCS2(=O)=O)CC[NH+]1C ZINC000336800181 355174324 /nfs/dbraw/zinc/17/43/24/355174324.db2.gz LFURRYXUVPQWBY-STQMWFEESA-N 2 2 289.445 0.436 20 0 CCADLP CC(C)CCC[C@H](C)NC(=O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000336817266 355191197 /nfs/dbraw/zinc/19/11/97/355191197.db2.gz PMQCKINQUCJLNR-STQMWFEESA-N 2 2 273.421 0.569 20 0 CCADLP CC(C)CCC[C@H](C)NC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000336817266 355191198 /nfs/dbraw/zinc/19/11/98/355191198.db2.gz PMQCKINQUCJLNR-STQMWFEESA-N 2 2 273.421 0.569 20 0 CCADLP COCCN1CC[C@H]([NH2+]CC2([NH+](C)C)CCC2)C1 ZINC000336900454 355223344 /nfs/dbraw/zinc/22/33/44/355223344.db2.gz RSNRFRBQTRQRTO-ZDUSSCGKSA-N 2 2 255.406 0.781 20 0 CCADLP COCC[N@@H+]1CC[C@H](NCC2([NH+](C)C)CCC2)C1 ZINC000336900454 355223345 /nfs/dbraw/zinc/22/33/45/355223345.db2.gz RSNRFRBQTRQRTO-ZDUSSCGKSA-N 2 2 255.406 0.781 20 0 CCADLP COCC[N@H+]1CC[C@H](NCC2([NH+](C)C)CCC2)C1 ZINC000336900454 355223346 /nfs/dbraw/zinc/22/33/46/355223346.db2.gz RSNRFRBQTRQRTO-ZDUSSCGKSA-N 2 2 255.406 0.781 20 0 CCADLP Cn1cc(N2CCC[C@@H]([NH2+][C@@H]3CCCC[C@H]3[NH3+])C2=O)cn1 ZINC000424287100 235194212 /nfs/dbraw/zinc/19/42/12/235194212.db2.gz ILTMDGORFFXEDL-MGPQQGTHSA-N 2 2 291.399 0.775 20 0 CCADLP C[C@H]1CN(CC[N@H+](C)C[C@@H]2CCC[NH+](C)C2)CCO1 ZINC000337259565 355292236 /nfs/dbraw/zinc/29/22/36/355292236.db2.gz WDVNYSJPOYUOED-LSDHHAIUSA-N 2 2 269.433 0.981 20 0 CCADLP C[C@H]1CN(CC[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)CCO1 ZINC000337259565 355292242 /nfs/dbraw/zinc/29/22/42/355292242.db2.gz WDVNYSJPOYUOED-LSDHHAIUSA-N 2 2 269.433 0.981 20 0 CCADLP C[C@H]1C[NH+](CCN(C)C[C@@H]2CCC[N@H+](C)C2)CCO1 ZINC000337259565 355292255 /nfs/dbraw/zinc/29/22/55/355292255.db2.gz WDVNYSJPOYUOED-LSDHHAIUSA-N 2 2 269.433 0.981 20 0 CCADLP C[C@H]1C[NH+](CCN(C)C[C@@H]2CCC[N@@H+](C)C2)CCO1 ZINC000337259565 355292257 /nfs/dbraw/zinc/29/22/57/355292257.db2.gz WDVNYSJPOYUOED-LSDHHAIUSA-N 2 2 269.433 0.981 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)C(C)(C)[NH+]2CCOCC2)CC[N@H+]1C ZINC000338181265 355310899 /nfs/dbraw/zinc/31/08/99/355310899.db2.gz WPIGFOJDLDPDKN-OLZOCXBDSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)C(C)(C)[NH+]2CCOCC2)CC[N@@H+]1C ZINC000338181265 355310903 /nfs/dbraw/zinc/31/09/03/355310903.db2.gz WPIGFOJDLDPDKN-OLZOCXBDSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@H]1C[C@H]([NH+](C)CCC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000338309393 355317070 /nfs/dbraw/zinc/31/70/70/355317070.db2.gz URCXPJNKBWZHJQ-LSDHHAIUSA-N 3 2 296.459 0.565 20 0 CCADLP C[C@H]1C[C@H]([NH+](C)CCC(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000338309393 355317075 /nfs/dbraw/zinc/31/70/75/355317075.db2.gz URCXPJNKBWZHJQ-LSDHHAIUSA-N 3 2 296.459 0.565 20 0 CCADLP C[C@H]1C[C@H]([N@H+](C)CCC(=O)N2CC[NH+](C)CC2)CC[NH+]1C ZINC000338309393 355317079 /nfs/dbraw/zinc/31/70/79/355317079.db2.gz URCXPJNKBWZHJQ-LSDHHAIUSA-N 3 2 296.459 0.565 20 0 CCADLP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)N2CC[NH+](C)CC2)CC[NH+]1C ZINC000338309393 355317082 /nfs/dbraw/zinc/31/70/82/355317082.db2.gz URCXPJNKBWZHJQ-LSDHHAIUSA-N 3 2 296.459 0.565 20 0 CCADLP CC[N@H+](CCNC(=O)[C@H](C)[NH+]1CCOCC1)C(C)C ZINC000338767897 355416272 /nfs/dbraw/zinc/41/62/72/355416272.db2.gz RSPSAMGBTGCOSJ-ZDUSSCGKSA-N 2 2 271.405 0.554 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@H](C)[NH+]1CCOCC1)C(C)C ZINC000338767897 355416276 /nfs/dbraw/zinc/41/62/76/355416276.db2.gz RSPSAMGBTGCOSJ-ZDUSSCGKSA-N 2 2 271.405 0.554 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000339094793 355486265 /nfs/dbraw/zinc/48/62/65/355486265.db2.gz WTSPDGBREKYNKS-ZDUSSCGKSA-N 2 2 264.373 0.809 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000341088961 355603105 /nfs/dbraw/zinc/60/31/05/355603105.db2.gz YDXLDBCGTVMSBX-CYBMUJFWSA-N 2 2 297.403 0.539 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000341088961 355603108 /nfs/dbraw/zinc/60/31/08/355603108.db2.gz YDXLDBCGTVMSBX-CYBMUJFWSA-N 2 2 297.403 0.539 20 0 CCADLP C[C@H](CNC(=O)[C@H](c1c[nH+]cn1C)N(C)C)C[NH+](C)C ZINC000341255184 355640636 /nfs/dbraw/zinc/64/06/36/355640636.db2.gz HFCNUPNGGQQVKF-YPMHNXCESA-N 2 2 281.404 0.337 20 0 CCADLP C[C@H](CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1)C[NH+](C)C ZINC000341306925 355649952 /nfs/dbraw/zinc/64/99/52/355649952.db2.gz WLPZEIKBSCOSOO-UKRRQHHQSA-N 2 2 297.443 0.801 20 0 CCADLP C[C@H](CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1)C[NH+](C)C ZINC000341306925 355649956 /nfs/dbraw/zinc/64/99/56/355649956.db2.gz WLPZEIKBSCOSOO-UKRRQHHQSA-N 2 2 297.443 0.801 20 0 CCADLP CN(C)C(=O)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000341335447 355655631 /nfs/dbraw/zinc/65/56/31/355655631.db2.gz DWMOWYHSQZCJAX-UHFFFAOYSA-N 2 2 276.384 0.724 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000342788343 355746831 /nfs/dbraw/zinc/74/68/31/355746831.db2.gz YZNNZOVHTRWBRD-HZSPNIEDSA-N 2 2 281.400 0.402 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000342788343 355746835 /nfs/dbraw/zinc/74/68/35/355746835.db2.gz YZNNZOVHTRWBRD-HZSPNIEDSA-N 2 2 281.400 0.402 20 0 CCADLP Cc1c[nH+]c(CN2CC[N@H+](CCO)[C@H](C)C2)n1C ZINC000342798808 355748596 /nfs/dbraw/zinc/74/85/96/355748596.db2.gz XMAVPLACBSKLOE-GFCCVEGCSA-N 2 2 252.362 0.227 20 0 CCADLP Cc1c[nH+]c(CN2CC[N@@H+](CCO)[C@H](C)C2)n1C ZINC000342798808 355748601 /nfs/dbraw/zinc/74/86/01/355748601.db2.gz XMAVPLACBSKLOE-GFCCVEGCSA-N 2 2 252.362 0.227 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000342858220 355760575 /nfs/dbraw/zinc/76/05/75/355760575.db2.gz BWTOUMJNFMNHEN-UHFFFAOYSA-N 3 2 280.416 0.970 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000342858220 355760578 /nfs/dbraw/zinc/76/05/78/355760578.db2.gz BWTOUMJNFMNHEN-UHFFFAOYSA-N 3 2 280.416 0.970 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC[C@H]2C[NH+](C3CC3)CCO2)C1 ZINC000344066910 355784197 /nfs/dbraw/zinc/78/41/97/355784197.db2.gz IDEDDJVPVVUTHG-HIFRSBDPSA-N 2 2 283.416 0.160 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC[C@H]2C[NH+](C3CC3)CCO2)C1 ZINC000344066910 355784200 /nfs/dbraw/zinc/78/42/00/355784200.db2.gz IDEDDJVPVVUTHG-HIFRSBDPSA-N 2 2 283.416 0.160 20 0 CCADLP COCC[NH+]1CC[C@@H](NC[C@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000344066910 355784203 /nfs/dbraw/zinc/78/42/03/355784203.db2.gz IDEDDJVPVVUTHG-HIFRSBDPSA-N 2 2 283.416 0.160 20 0 CCADLP COCC[NH+]1CC[C@@H](NC[C@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000344066910 355784205 /nfs/dbraw/zinc/78/42/05/355784205.db2.gz IDEDDJVPVVUTHG-HIFRSBDPSA-N 2 2 283.416 0.160 20 0 CCADLP C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000346977520 355874960 /nfs/dbraw/zinc/87/49/60/355874960.db2.gz KXVMCUMLFSKVKT-IJLUTSLNSA-N 2 2 262.419 0.739 20 0 CCADLP C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000346977520 355874964 /nfs/dbraw/zinc/87/49/64/355874964.db2.gz KXVMCUMLFSKVKT-IJLUTSLNSA-N 2 2 262.419 0.739 20 0 CCADLP C[C@H](C(N)=O)[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348318779 355911140 /nfs/dbraw/zinc/91/11/40/355911140.db2.gz BEJHOWXXDDBYPW-SNPRPXQTSA-N 2 2 273.380 0.924 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)NCc1[nH+]ccn1C ZINC000348214875 355889514 /nfs/dbraw/zinc/88/95/14/355889514.db2.gz IUQNYBVJFXFYRF-UHFFFAOYSA-N 2 2 262.317 0.424 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000348227107 355892530 /nfs/dbraw/zinc/89/25/30/355892530.db2.gz UVBIXONHMPKPOW-UHFFFAOYSA-N 2 2 279.388 0.903 20 0 CCADLP CC[C@H](C(=O)OC)N1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000352699191 356058355 /nfs/dbraw/zinc/05/83/55/356058355.db2.gz PBOXKDWGAAZFBQ-CYBMUJFWSA-N 2 2 280.372 0.452 20 0 CCADLP C[C@H](Cn1cncn1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352775170 356076750 /nfs/dbraw/zinc/07/67/50/356076750.db2.gz ZDBUFNSUMHNNNW-SNVBAGLBSA-N 2 2 280.401 0.975 20 0 CCADLP Cc1cn[nH]c1C[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000352809884 356086601 /nfs/dbraw/zinc/08/66/01/356086601.db2.gz JWECBYSLGYSIKU-LLVKDONJSA-N 2 2 252.362 0.776 20 0 CCADLP COC(=O)CN1CCC([NH2+][C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC000356242223 291083199 /nfs/dbraw/zinc/08/31/99/291083199.db2.gz FJTGDVYNQDGTPQ-ZDUSSCGKSA-N 2 2 285.432 0.942 20 0 CCADLP COC(=O)CN1CCC([NH2+][C@@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000356242223 291083200 /nfs/dbraw/zinc/08/32/00/291083200.db2.gz FJTGDVYNQDGTPQ-ZDUSSCGKSA-N 2 2 285.432 0.942 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000353423783 356218663 /nfs/dbraw/zinc/21/86/63/356218663.db2.gz DMFIPAKYOOTVDR-LBPRGKRZSA-N 2 2 280.372 0.402 20 0 CCADLP CO[C@H](C[NH3+])C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000353457255 356226347 /nfs/dbraw/zinc/22/63/47/356226347.db2.gz GLENRXDGBKIQQG-CQSZACIVSA-N 2 2 288.351 0.521 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000353567370 356251036 /nfs/dbraw/zinc/25/10/36/356251036.db2.gz NNLFNVPZMTZQIN-SMDDNHRTSA-N 2 2 279.388 0.233 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000353567370 356251038 /nfs/dbraw/zinc/25/10/38/356251038.db2.gz NNLFNVPZMTZQIN-SMDDNHRTSA-N 2 2 279.388 0.233 20 0 CCADLP CCn1cc(C[N@@H+]2CCCN(C(=O)C3([NH3+])CC3)CC2)cn1 ZINC000353574083 356252066 /nfs/dbraw/zinc/25/20/66/356252066.db2.gz ACGRBCOGXKOLBE-UHFFFAOYSA-N 2 2 291.399 0.429 20 0 CCADLP CCn1cc(C[N@H+]2CCCN(C(=O)C3([NH3+])CC3)CC2)cn1 ZINC000353574083 356252068 /nfs/dbraw/zinc/25/20/68/356252068.db2.gz ACGRBCOGXKOLBE-UHFFFAOYSA-N 2 2 291.399 0.429 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000353573755 356252293 /nfs/dbraw/zinc/25/22/93/356252293.db2.gz AHLPPJNUTJTQGM-AWEZNQCLSA-N 2 2 293.415 0.438 20 0 CCADLP C[C@@]1(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CCC[NH2+]C1 ZINC000353668356 356269520 /nfs/dbraw/zinc/26/95/20/356269520.db2.gz NGVVYEIPUCQWPE-OAHLLOKOSA-N 2 2 291.399 0.444 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361082532 138021251 /nfs/dbraw/zinc/02/12/51/138021251.db2.gz VQYXGGSIXUCQAL-QWHCGFSZSA-N 2 2 262.357 0.778 20 0 CCADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc([S@](C)=O)cc1 ZINC000361233634 138025550 /nfs/dbraw/zinc/02/55/50/138025550.db2.gz ZPZFJSQAYIOIMK-XAEJFWIOSA-N 2 2 284.425 0.997 20 0 CCADLP Cc1cc[nH+]cc1N1CC[NH+]([C@H]2COC[C@@H]2O)CC1 ZINC000361394850 138034231 /nfs/dbraw/zinc/03/42/31/138034231.db2.gz IUWQRIJZVRSRSB-KBPBESRZSA-N 2 2 263.341 0.272 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000362566709 138064768 /nfs/dbraw/zinc/06/47/68/138064768.db2.gz ZDRPTWGAFYKFIK-SECBINFHSA-N 2 2 274.328 0.182 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000362862869 138077944 /nfs/dbraw/zinc/07/79/44/138077944.db2.gz LJLRUWIVMNNQLD-RBSFLKMASA-N 2 2 295.427 0.507 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000362862869 138077945 /nfs/dbraw/zinc/07/79/45/138077945.db2.gz LJLRUWIVMNNQLD-RBSFLKMASA-N 2 2 295.427 0.507 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000362890212 138079056 /nfs/dbraw/zinc/07/90/56/138079056.db2.gz FHHMMMKKNWINST-HIFRSBDPSA-N 3 2 296.459 0.326 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000362890212 138079057 /nfs/dbraw/zinc/07/90/57/138079057.db2.gz FHHMMMKKNWINST-HIFRSBDPSA-N 3 2 296.459 0.326 20 0 CCADLP Cc1cnc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cn1 ZINC000362662085 138068127 /nfs/dbraw/zinc/06/81/27/138068127.db2.gz HHJZIIYCLYISDK-CQSZACIVSA-N 2 2 289.383 0.181 20 0 CCADLP Cc1cnc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cn1 ZINC000362662085 138068128 /nfs/dbraw/zinc/06/81/28/138068128.db2.gz HHJZIIYCLYISDK-CQSZACIVSA-N 2 2 289.383 0.181 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)CC1CC[NH+](C)CC1 ZINC000362749171 138072723 /nfs/dbraw/zinc/07/27/23/138072723.db2.gz VNDKHRCTTPOUTJ-UHFFFAOYSA-N 2 2 250.346 0.768 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[NH+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353674645 283165489 /nfs/dbraw/zinc/16/54/89/283165489.db2.gz SLHUZMMCEYRGGI-TUVASFSCSA-N 3 2 267.417 0.515 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[NH+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353674645 283165491 /nfs/dbraw/zinc/16/54/91/283165491.db2.gz SLHUZMMCEYRGGI-TUVASFSCSA-N 3 2 267.417 0.515 20 0 CCADLP C[NH+]1CC[C@](O)(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353674645 283165493 /nfs/dbraw/zinc/16/54/93/283165493.db2.gz SLHUZMMCEYRGGI-TUVASFSCSA-N 3 2 267.417 0.515 20 0 CCADLP C[NH+]1CC[C@](O)(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353674645 283165496 /nfs/dbraw/zinc/16/54/96/283165496.db2.gz SLHUZMMCEYRGGI-TUVASFSCSA-N 3 2 267.417 0.515 20 0 CCADLP O=C(NCCNc1cccc[nH+]1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655605536 412629864 /nfs/dbraw/zinc/62/98/64/412629864.db2.gz RSQFOYQTQVJHRD-DOMZBBRYSA-N 2 2 274.368 0.999 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000328747364 202038518 /nfs/dbraw/zinc/03/85/18/202038518.db2.gz AVPZKYDFEIEJKO-NEPJUHHUSA-N 2 2 278.356 0.067 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000328747364 202038521 /nfs/dbraw/zinc/03/85/21/202038521.db2.gz AVPZKYDFEIEJKO-NEPJUHHUSA-N 2 2 278.356 0.067 20 0 CCADLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)N3CCNC(=O)C3)C2)C1 ZINC000328764903 202043932 /nfs/dbraw/zinc/04/39/32/202043932.db2.gz GQKSUXRMADHNQH-HNNXBMFYSA-N 2 2 294.399 0.203 20 0 CCADLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)N3CCNC(=O)C3)C2)C1 ZINC000328764903 202043933 /nfs/dbraw/zinc/04/39/33/202043933.db2.gz GQKSUXRMADHNQH-HNNXBMFYSA-N 2 2 294.399 0.203 20 0 CCADLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)N3CCNC(=O)C3)C2)C1 ZINC000328764903 202043936 /nfs/dbraw/zinc/04/39/36/202043936.db2.gz GQKSUXRMADHNQH-HNNXBMFYSA-N 2 2 294.399 0.203 20 0 CCADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)N3CCNC(=O)C3)C2)C1 ZINC000328764903 202043937 /nfs/dbraw/zinc/04/39/37/202043937.db2.gz GQKSUXRMADHNQH-HNNXBMFYSA-N 2 2 294.399 0.203 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000355407349 356625514 /nfs/dbraw/zinc/62/55/14/356625514.db2.gz CESDWFSRTWYWHV-MCIONIFRSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000355407349 356625515 /nfs/dbraw/zinc/62/55/15/356625515.db2.gz CESDWFSRTWYWHV-MCIONIFRSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000355923987 356670799 /nfs/dbraw/zinc/67/07/99/356670799.db2.gz XXEWVTFTHWVDFC-CHWSQXEVSA-N 2 2 292.383 0.286 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCCNc1cc[nH+]cc1 ZINC000356229666 356728145 /nfs/dbraw/zinc/72/81/45/356728145.db2.gz ORPVUJWGYMMAHO-GFCCVEGCSA-N 2 2 288.355 0.500 20 0 CCADLP C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000357236087 356769816 /nfs/dbraw/zinc/76/98/16/356769816.db2.gz SPPLQMVNEMUCBJ-RDBSUJKOSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000357236087 356769822 /nfs/dbraw/zinc/76/98/22/356769822.db2.gz SPPLQMVNEMUCBJ-RDBSUJKOSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@H]([NH3+])CN1CC[NH+](CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000442659128 235826319 /nfs/dbraw/zinc/82/63/19/235826319.db2.gz KIWHYODSUMYDTF-QLFBSQMISA-N 2 2 296.459 0.646 20 0 CCADLP Cn1nccc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655688072 412645927 /nfs/dbraw/zinc/64/59/27/412645927.db2.gz IYNCOMBEELHRJE-AWEZNQCLSA-N 2 2 264.373 0.763 20 0 CCADLP CCNC(=O)[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655682899 412646027 /nfs/dbraw/zinc/64/60/27/412646027.db2.gz MZBGSACKMPWWLP-YPMHNXCESA-N 2 2 269.389 0.354 20 0 CCADLP CNC(=O)CC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000360486862 357024614 /nfs/dbraw/zinc/02/46/14/357024614.db2.gz YKNVTPPOCJSNNR-UHFFFAOYSA-N 2 2 276.384 0.772 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)CC[N@@H+]1CCCOCC1 ZINC000361394845 357047433 /nfs/dbraw/zinc/04/74/33/357047433.db2.gz ITLMZRIIACEWPT-OAHLLOKOSA-N 2 2 285.432 0.361 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)CC[N@H+]1CCCOCC1 ZINC000361394845 357047435 /nfs/dbraw/zinc/04/74/35/357047435.db2.gz ITLMZRIIACEWPT-OAHLLOKOSA-N 2 2 285.432 0.361 20 0 CCADLP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCCn3ccnc32)CC1 ZINC000655709265 412647720 /nfs/dbraw/zinc/64/77/20/412647720.db2.gz VEZFKSSJBVILQS-CYBMUJFWSA-N 2 2 291.399 0.472 20 0 CCADLP C[C@H]1C[N@H+](C)CCN1C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000360446586 357013696 /nfs/dbraw/zinc/01/36/96/357013696.db2.gz PTHIBYSUHHIHDA-ZDUSSCGKSA-N 2 2 281.400 0.404 20 0 CCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000360446586 357013698 /nfs/dbraw/zinc/01/36/98/357013698.db2.gz PTHIBYSUHHIHDA-ZDUSSCGKSA-N 2 2 281.400 0.404 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3(O)CCC3)C2)CC1 ZINC000363706312 357063312 /nfs/dbraw/zinc/06/33/12/357063312.db2.gz MJIGEYOZBIMHDT-GFCCVEGCSA-N 2 2 281.400 0.186 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3(O)CCC3)C2)CC1 ZINC000363706312 357063315 /nfs/dbraw/zinc/06/33/15/357063315.db2.gz MJIGEYOZBIMHDT-GFCCVEGCSA-N 2 2 281.400 0.186 20 0 CCADLP COC(=O)C1=NOC2(C1)CC[NH+](Cc1c[nH+]cn1C)CC2 ZINC000363841033 357066479 /nfs/dbraw/zinc/06/64/79/357066479.db2.gz BQVXHPKSZFBECY-UHFFFAOYSA-N 2 2 292.339 0.704 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365403099 357149548 /nfs/dbraw/zinc/14/95/48/357149548.db2.gz LLUKXUGXUDJJNT-AAEUAGOBSA-N 2 2 296.415 0.779 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365403099 357149553 /nfs/dbraw/zinc/14/95/53/357149553.db2.gz LLUKXUGXUDJJNT-AAEUAGOBSA-N 2 2 296.415 0.779 20 0 CCADLP CCC(=O)N1CC[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655724777 412651966 /nfs/dbraw/zinc/65/19/66/412651966.db2.gz ZIXMQEGRRBRFJN-CABCVRRESA-N 2 2 295.427 0.840 20 0 CCADLP Cn1cc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000369273840 357343669 /nfs/dbraw/zinc/34/36/69/357343669.db2.gz KAKOLBDCQQFOLN-ZDUSSCGKSA-N 2 2 291.399 0.318 20 0 CCADLP Cn1cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000369273840 357343671 /nfs/dbraw/zinc/34/36/71/357343671.db2.gz KAKOLBDCQQFOLN-ZDUSSCGKSA-N 2 2 291.399 0.318 20 0 CCADLP C[C@H](C[C@H](C)O)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655750958 412653627 /nfs/dbraw/zinc/65/36/27/412653627.db2.gz IAVYYKCAYKMWER-DYEKYZERSA-N 2 2 256.390 0.989 20 0 CCADLP CC[C@@](C)(CO)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655747649 412654954 /nfs/dbraw/zinc/65/49/54/412654954.db2.gz IMYQFQLLNNZXAR-KGLIPLIRSA-N 2 2 256.390 0.990 20 0 CCADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000377626476 357597254 /nfs/dbraw/zinc/59/72/54/357597254.db2.gz NUAJGNGJQVUZOH-UONOGXRCSA-N 2 2 250.342 0.750 20 0 CCADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@H](O)C[C@H]1CO ZINC000377626476 357597257 /nfs/dbraw/zinc/59/72/57/357597257.db2.gz NUAJGNGJQVUZOH-UONOGXRCSA-N 2 2 250.342 0.750 20 0 CCADLP COc1nccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)n1 ZINC000655771938 412657499 /nfs/dbraw/zinc/65/74/99/412657499.db2.gz RNNQQFSXZFMVOI-CQSZACIVSA-N 2 2 292.383 0.828 20 0 CCADLP C[NH+](C)CCCNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000378374634 357677221 /nfs/dbraw/zinc/67/72/21/357677221.db2.gz FPXNFOJSZMNTOZ-UHFFFAOYSA-N 2 2 269.389 0.309 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000378383032 357677555 /nfs/dbraw/zinc/67/75/55/357677555.db2.gz OSNCTBYJRCSBON-UHFFFAOYSA-N 3 2 291.399 0.363 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1CCO ZINC000382262820 357711927 /nfs/dbraw/zinc/71/19/27/357711927.db2.gz AHKBKRWLUYQEKE-UONOGXRCSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1CCO ZINC000382262820 357711930 /nfs/dbraw/zinc/71/19/30/357711930.db2.gz AHKBKRWLUYQEKE-UONOGXRCSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@H]1CCO ZINC000382262820 357711935 /nfs/dbraw/zinc/71/19/35/357711935.db2.gz AHKBKRWLUYQEKE-UONOGXRCSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@H]1CCO ZINC000382262820 357711939 /nfs/dbraw/zinc/71/19/39/357711939.db2.gz AHKBKRWLUYQEKE-UONOGXRCSA-N 2 2 274.405 0.162 20 0 CCADLP COc1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000380280381 357703287 /nfs/dbraw/zinc/70/32/87/357703287.db2.gz BGWAVURARDRQKE-CQSZACIVSA-N 2 2 276.384 0.570 20 0 CCADLP Cc1nc(N[C@@H](C)C2CC[NH+](C)CC2)nc(N)[nH+]1 ZINC000396475766 357762584 /nfs/dbraw/zinc/76/25/84/357762584.db2.gz UGOGUQWVJRWWLJ-QMMMGPOBSA-N 2 2 250.350 0.157 20 0 CCADLP Cc1nc(N)nc(N[C@@H](C)C2CC[NH+](C)CC2)[nH+]1 ZINC000396475766 357762585 /nfs/dbraw/zinc/76/25/85/357762585.db2.gz UGOGUQWVJRWWLJ-QMMMGPOBSA-N 2 2 250.350 0.157 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(CCCO)CC1 ZINC000401049972 357796474 /nfs/dbraw/zinc/79/64/74/357796474.db2.gz SQBFYCSUEPUOLK-HNNXBMFYSA-N 2 2 288.432 0.410 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(CCCO)CC1 ZINC000401049972 357796479 /nfs/dbraw/zinc/79/64/79/357796479.db2.gz SQBFYCSUEPUOLK-HNNXBMFYSA-N 2 2 288.432 0.410 20 0 CCADLP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000561169279 291119184 /nfs/dbraw/zinc/11/91/84/291119184.db2.gz QLZWGTRFMDQEGS-OLZOCXBDSA-N 2 2 276.384 0.904 20 0 CCADLP CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000561169279 291119185 /nfs/dbraw/zinc/11/91/85/291119185.db2.gz QLZWGTRFMDQEGS-OLZOCXBDSA-N 2 2 276.384 0.904 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000561203795 291120698 /nfs/dbraw/zinc/12/06/98/291120698.db2.gz YKOQCLRKJFWSLP-RDBSUJKOSA-N 2 2 281.400 0.260 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000561203795 291120699 /nfs/dbraw/zinc/12/06/99/291120699.db2.gz YKOQCLRKJFWSLP-RDBSUJKOSA-N 2 2 281.400 0.260 20 0 CCADLP CNC(=O)CC[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000343921924 283305325 /nfs/dbraw/zinc/30/53/25/283305325.db2.gz IVPSJZDYJZZIIM-ZIAGYGMSSA-N 2 2 282.432 0.080 20 0 CCADLP CNC(=O)CC[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000343921924 283305327 /nfs/dbraw/zinc/30/53/27/283305327.db2.gz IVPSJZDYJZZIIM-ZIAGYGMSSA-N 2 2 282.432 0.080 20 0 CCADLP CSC1(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CCC1 ZINC000561199497 291120581 /nfs/dbraw/zinc/12/05/81/291120581.db2.gz IZQBKQMUMJWHRJ-NSHDSACASA-N 2 2 286.445 0.556 20 0 CCADLP CSC1(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CCC1 ZINC000561199497 291120582 /nfs/dbraw/zinc/12/05/82/291120582.db2.gz IZQBKQMUMJWHRJ-NSHDSACASA-N 2 2 286.445 0.556 20 0 CCADLP CO[C@H]1C[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C12CCC2 ZINC000453089685 236273412 /nfs/dbraw/zinc/27/34/12/236273412.db2.gz RSRXSRDZNLBCTH-STQMWFEESA-N 2 2 281.400 0.308 20 0 CCADLP CNC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246283914 283321477 /nfs/dbraw/zinc/32/14/77/283321477.db2.gz BCOFLWREXQUVNA-WCQYABFASA-N 2 2 251.374 0.681 20 0 CCADLP CNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246283914 283321479 /nfs/dbraw/zinc/32/14/79/283321479.db2.gz BCOFLWREXQUVNA-WCQYABFASA-N 2 2 251.374 0.681 20 0 CCADLP CNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246283914 283321481 /nfs/dbraw/zinc/32/14/81/283321481.db2.gz BCOFLWREXQUVNA-WCQYABFASA-N 2 2 251.374 0.681 20 0 CCADLP CNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246283914 283321483 /nfs/dbraw/zinc/32/14/83/283321483.db2.gz BCOFLWREXQUVNA-WCQYABFASA-N 2 2 251.374 0.681 20 0 CCADLP C[C@@H]1CN(C(=O)NCC[N@H+]2CCOC[C@H]2C)C[C@H](C)[NH+]1C ZINC000454638858 236304742 /nfs/dbraw/zinc/30/47/42/236304742.db2.gz BTAAWZWRKRDFIW-HZSPNIEDSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@@H]1CN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)C[C@H](C)[NH+]1C ZINC000454638858 236304745 /nfs/dbraw/zinc/30/47/45/236304745.db2.gz BTAAWZWRKRDFIW-HZSPNIEDSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000454638858 236304747 /nfs/dbraw/zinc/30/47/47/236304747.db2.gz BTAAWZWRKRDFIW-HZSPNIEDSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000454638858 236304750 /nfs/dbraw/zinc/30/47/50/236304750.db2.gz BTAAWZWRKRDFIW-HZSPNIEDSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)Cn1cc[nH+]c1 ZINC000165590497 295964906 /nfs/dbraw/zinc/96/49/06/295964906.db2.gz WESDUTWAJZENKU-CMPLNLGQSA-N 2 2 254.309 0.337 20 0 CCADLP O=C(NCCCNc1cccc[nH+]1)N[C@@H]1CCC[NH2+]C1 ZINC000417074105 358130245 /nfs/dbraw/zinc/13/02/45/358130245.db2.gz IQRTZCJNPXTUOK-GFCCVEGCSA-N 2 2 277.372 0.935 20 0 CCADLP C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@@H](C[NH3+])C1CC1 ZINC000420310810 358179436 /nfs/dbraw/zinc/17/94/36/358179436.db2.gz GWNZVTKZYINIFX-JYJNAYRXSA-N 3 2 277.412 0.586 20 0 CCADLP C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@@H](C[NH3+])C1CC1 ZINC000420310810 358179437 /nfs/dbraw/zinc/17/94/37/358179437.db2.gz GWNZVTKZYINIFX-JYJNAYRXSA-N 3 2 277.412 0.586 20 0 CCADLP C[NH2+]CCC[N@H+](C)[C@H](C)C(=O)NC(=O)NC(C)C ZINC000420386798 358181565 /nfs/dbraw/zinc/18/15/65/358181565.db2.gz IUNYNHBLTIMJNV-SNVBAGLBSA-N 2 2 258.366 0.150 20 0 CCADLP C[NH2+]CCC[N@@H+](C)[C@H](C)C(=O)NC(=O)NC(C)C ZINC000420386798 358181568 /nfs/dbraw/zinc/18/15/68/358181568.db2.gz IUNYNHBLTIMJNV-SNVBAGLBSA-N 2 2 258.366 0.150 20 0 CCADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000423394420 358199753 /nfs/dbraw/zinc/19/97/53/358199753.db2.gz ZPVOQEIVADJZFE-MNOVXSKESA-N 2 2 285.413 0.983 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2C[C@H](C)CC[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000423433756 358200605 /nfs/dbraw/zinc/20/06/05/358200605.db2.gz PMDQYGGGHNTGHO-QPSCCSFWSA-N 2 2 295.427 0.554 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCOC[C@@]12CCOC2 ZINC000441365429 358240214 /nfs/dbraw/zinc/24/02/14/358240214.db2.gz PUAHHOHEUCTPRP-ZDUSSCGKSA-N 2 2 251.330 0.683 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCOC[C@@]12CCOC2 ZINC000441365429 358240217 /nfs/dbraw/zinc/24/02/17/358240217.db2.gz PUAHHOHEUCTPRP-ZDUSSCGKSA-N 2 2 251.330 0.683 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]C1CN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000497284012 358332010 /nfs/dbraw/zinc/33/20/10/358332010.db2.gz FJVIENFOQZDWMJ-ZDUSSCGKSA-N 2 2 299.415 0.650 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]C1CN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000497284012 358332013 /nfs/dbraw/zinc/33/20/13/358332013.db2.gz FJVIENFOQZDWMJ-ZDUSSCGKSA-N 2 2 299.415 0.650 20 0 CCADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](CCOCC2CC2)CC1 ZINC000530225339 358381872 /nfs/dbraw/zinc/38/18/72/358381872.db2.gz WZEIPMYVGFDJRY-UHFFFAOYSA-N 2 2 296.415 0.056 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3cc(CO)ccc3F)CCN2C1=O ZINC000530224433 358381888 /nfs/dbraw/zinc/38/18/88/358381888.db2.gz QJYBYMCMNKCCLJ-JSGCOSHPSA-N 2 2 293.342 0.062 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3cc(CO)ccc3F)CCN2C1=O ZINC000530224433 358381889 /nfs/dbraw/zinc/38/18/89/358381889.db2.gz QJYBYMCMNKCCLJ-JSGCOSHPSA-N 2 2 293.342 0.062 20 0 CCADLP CCn1ncc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000530206348 358378332 /nfs/dbraw/zinc/37/83/32/358378332.db2.gz ASYMQLQIQXOIML-MELADBBJSA-N 2 2 279.388 0.545 20 0 CCADLP CCn1nncc1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000530211556 358379621 /nfs/dbraw/zinc/37/96/21/358379621.db2.gz OMSMLMDNLHIEBY-QWHCGFSZSA-N 2 2 265.361 0.155 20 0 CCADLP Cc1nc(N2CC[NH+](CC[C@@H]3CCNC3=O)CC2)cc[nH+]1 ZINC000562478542 291154684 /nfs/dbraw/zinc/15/46/84/291154684.db2.gz KCEFZUSVDAXCNV-ZDUSSCGKSA-N 2 2 289.383 0.433 20 0 CCADLP CO[C@H](C[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1)C1CC1 ZINC000565534615 358561682 /nfs/dbraw/zinc/56/16/82/358561682.db2.gz BSXWQZHXHSCHEN-NZBPQXDJSA-N 2 2 286.416 0.471 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)no1 ZINC000567681534 358571645 /nfs/dbraw/zinc/57/16/45/358571645.db2.gz VFUZOMZSZFLJNY-LLVKDONJSA-N 2 2 278.356 0.560 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+][C@@H]2CC[N@H+](C3CC3)C2)no1 ZINC000567681534 358571649 /nfs/dbraw/zinc/57/16/49/358571649.db2.gz VFUZOMZSZFLJNY-LLVKDONJSA-N 2 2 278.356 0.560 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567889738 358607643 /nfs/dbraw/zinc/60/76/43/358607643.db2.gz PLLQBSNCIATDGW-UKRRQHHQSA-N 2 2 283.416 0.603 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567889738 358607644 /nfs/dbraw/zinc/60/76/44/358607644.db2.gz PLLQBSNCIATDGW-UKRRQHHQSA-N 2 2 283.416 0.603 20 0 CCADLP Cn1c[nH+]cc1CCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000568168171 358639315 /nfs/dbraw/zinc/63/93/15/358639315.db2.gz ZDWBZRUUJCVZMQ-UHFFFAOYSA-N 3 2 274.372 0.898 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)CC(F)(F)C[NH3+] ZINC000568286374 358662282 /nfs/dbraw/zinc/66/22/82/358662282.db2.gz DTANQNBPOQAZCA-UHFFFAOYSA-N 2 2 272.299 0.748 20 0 CCADLP COCCN(CC[NH+](C)C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000568513345 358681443 /nfs/dbraw/zinc/68/14/43/358681443.db2.gz AQESVUMOHRFILI-UHFFFAOYSA-N 2 2 282.388 0.724 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[C@@]3(C2)CCC[NH2+]C3)CCO1 ZINC000568749237 358701613 /nfs/dbraw/zinc/70/16/13/358701613.db2.gz GXGUTRWJBXTQPB-CABCVRRESA-N 2 2 267.417 0.783 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[C@@]3(C2)CCC[NH2+]C3)CCO1 ZINC000568749237 358701618 /nfs/dbraw/zinc/70/16/18/358701618.db2.gz GXGUTRWJBXTQPB-CABCVRRESA-N 2 2 267.417 0.783 20 0 CCADLP CCOCC[C@H](O)C[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000569228412 358744840 /nfs/dbraw/zinc/74/48/40/358744840.db2.gz DMNGKYCXONLQGY-STQMWFEESA-N 2 2 276.446 0.801 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCc2ccccc2O)[C@@H](C[NH3+])C1 ZINC000569241177 358747564 /nfs/dbraw/zinc/74/75/64/358747564.db2.gz OULLMBIHDDHWND-ZDUSSCGKSA-N 2 2 277.368 0.426 20 0 CCADLP C[N@H+]1CCN(C(=O)CCc2ccccc2O)[C@@H](C[NH3+])C1 ZINC000569241177 358747569 /nfs/dbraw/zinc/74/75/69/358747569.db2.gz OULLMBIHDDHWND-ZDUSSCGKSA-N 2 2 277.368 0.426 20 0 CCADLP Cc1ccc(CN2C(=O)N[C@@]3(CCC[NH2+]C3)C2=O)c(C)[nH+]1 ZINC000569358864 358758283 /nfs/dbraw/zinc/75/82/83/358758283.db2.gz PPCKHMBTDNBPMO-OAHLLOKOSA-N 2 2 288.351 0.872 20 0 CCADLP Cc1[nH+]ccn1CCC[NH+]1CCN(C(=O)N(C)C)CC1 ZINC000568824945 358707201 /nfs/dbraw/zinc/70/72/01/358707201.db2.gz MVPNYIPWDCHRMY-UHFFFAOYSA-N 2 2 279.388 0.881 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000568873210 358712797 /nfs/dbraw/zinc/71/27/97/358712797.db2.gz NRVHVOGERVWSER-CFVMTHIKSA-N 3 2 269.433 0.904 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000568873210 358712800 /nfs/dbraw/zinc/71/28/00/358712800.db2.gz NRVHVOGERVWSER-CFVMTHIKSA-N 3 2 269.433 0.904 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000568882152 358715160 /nfs/dbraw/zinc/71/51/60/358715160.db2.gz XPAWLKBSEBHXHI-SNVBAGLBSA-N 2 2 290.371 0.704 20 0 CCADLP C[NH2+]CCC[N@H+](C)[C@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000568889050 358715994 /nfs/dbraw/zinc/71/59/94/358715994.db2.gz MOXDUPMURJWNRN-GFCCVEGCSA-N 2 2 281.404 0.905 20 0 CCADLP C[NH2+]CCC[N@@H+](C)[C@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000568889050 358715997 /nfs/dbraw/zinc/71/59/97/358715997.db2.gz MOXDUPMURJWNRN-GFCCVEGCSA-N 2 2 281.404 0.905 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3cccc4c3OCO4)CCN2C1=O ZINC000568902002 358717074 /nfs/dbraw/zinc/71/70/74/358717074.db2.gz QXJJTUJTECPVNF-RYUDHWBXSA-N 2 2 289.335 0.159 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3cccc4c3OCO4)CCN2C1=O ZINC000568902002 358717078 /nfs/dbraw/zinc/71/70/78/358717078.db2.gz QXJJTUJTECPVNF-RYUDHWBXSA-N 2 2 289.335 0.159 20 0 CCADLP CC(C)O[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000569481477 358768887 /nfs/dbraw/zinc/76/88/87/358768887.db2.gz IILDRKLQYBCEHE-CYBMUJFWSA-N 2 2 269.389 0.260 20 0 CCADLP CC(C)O[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000569481477 358768890 /nfs/dbraw/zinc/76/88/90/358768890.db2.gz IILDRKLQYBCEHE-CYBMUJFWSA-N 2 2 269.389 0.260 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000569109416 358734697 /nfs/dbraw/zinc/73/46/97/358734697.db2.gz ZNHFDRUQCLESMN-DGCLKSJQSA-N 3 2 252.362 0.560 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000569109416 358734698 /nfs/dbraw/zinc/73/46/98/358734698.db2.gz ZNHFDRUQCLESMN-DGCLKSJQSA-N 3 2 252.362 0.560 20 0 CCADLP CCN1CC[NH+]([C@H]2CCN(C(=O)CC[C@H](C)[NH3+])C2)CC1 ZINC000569217932 358743281 /nfs/dbraw/zinc/74/32/81/358743281.db2.gz QUFIPQVSSUPKGO-KBPBESRZSA-N 2 2 282.432 0.352 20 0 CCADLP O=C1C[N@H+](CCN2CC[NH2+]CC2)Cc2ccccc2N1 ZINC000570059265 358818274 /nfs/dbraw/zinc/81/82/74/358818274.db2.gz 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CCn1cc[nH+]c1CNC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000571179162 358920951 /nfs/dbraw/zinc/92/09/51/358920951.db2.gz WNZJAVMNYLKYJY-NSHDSACASA-N 2 2 282.413 0.957 20 0 CCADLP CC[N@H+](CCNC(=O)Cc1c[nH+]cn1C)C(C)C ZINC000573035071 358932755 /nfs/dbraw/zinc/93/27/55/358932755.db2.gz TVCXSBGCZVGTGT-UHFFFAOYSA-N 2 2 252.362 0.809 20 0 CCADLP CC[N@@H+](CCNC(=O)Cc1c[nH+]cn1C)C(C)C ZINC000573035071 358932760 /nfs/dbraw/zinc/93/27/60/358932760.db2.gz TVCXSBGCZVGTGT-UHFFFAOYSA-N 2 2 252.362 0.809 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@H]2CC[NH+](CC)C2)CCO1 ZINC000562728212 291165807 /nfs/dbraw/zinc/16/58/07/291165807.db2.gz GNEIWGOZMKCMHB-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2CC[NH+](CC)C2)CCO1 ZINC000562728212 291165808 /nfs/dbraw/zinc/16/58/08/291165808.db2.gz GNEIWGOZMKCMHB-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1C[NH+](CCNC(=O)N[C@H]2CC[N@H+](CC)C2)CCO1 ZINC000562728212 291165809 /nfs/dbraw/zinc/16/58/09/291165809.db2.gz 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[NH3+]C[C@H]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000580832845 359099199 /nfs/dbraw/zinc/09/91/99/359099199.db2.gz GGABXFVXOBTQGT-WDEREUQCSA-N 2 2 286.339 0.520 20 0 CCADLP C[C@H]1COCC[N@@H+]1C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000581020697 359123242 /nfs/dbraw/zinc/12/32/42/359123242.db2.gz MFRYJVKUZSTVPM-GXTWGEPZSA-N 2 2 254.374 0.960 20 0 CCADLP C[C@H]1COCC[N@H+]1C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000581020697 359123249 /nfs/dbraw/zinc/12/32/49/359123249.db2.gz MFRYJVKUZSTVPM-GXTWGEPZSA-N 2 2 254.374 0.960 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000582439474 359148781 /nfs/dbraw/zinc/14/87/81/359148781.db2.gz MXAAHHSTBKBFDA-UHFFFAOYSA-N 2 2 276.384 0.953 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000584586510 359174476 /nfs/dbraw/zinc/17/44/76/359174476.db2.gz DPFABESGUMDPHH-AAEUAGOBSA-N 3 2 264.373 0.243 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000584586510 359174483 /nfs/dbraw/zinc/17/44/83/359174483.db2.gz DPFABESGUMDPHH-AAEUAGOBSA-N 3 2 264.373 0.243 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCn2ccnc2C1)C1CC1 ZINC000584586510 359174489 /nfs/dbraw/zinc/17/44/89/359174489.db2.gz DPFABESGUMDPHH-AAEUAGOBSA-N 2 2 264.373 0.243 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCn2ccnc2C1)C1CC1 ZINC000584586510 359174493 /nfs/dbraw/zinc/17/44/93/359174493.db2.gz DPFABESGUMDPHH-AAEUAGOBSA-N 2 2 264.373 0.243 20 0 CCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cn[nH]c1 ZINC000585817360 359281671 /nfs/dbraw/zinc/28/16/71/359281671.db2.gz SWQWUKGVGAVADO-CYBMUJFWSA-N 2 2 279.388 0.442 20 0 CCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cn[nH]c1 ZINC000585817360 359281673 /nfs/dbraw/zinc/28/16/73/359281673.db2.gz SWQWUKGVGAVADO-CYBMUJFWSA-N 2 2 279.388 0.442 20 0 CCADLP C[C@@H](COCC(F)(F)F)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000562986708 291178008 /nfs/dbraw/zinc/17/80/08/291178008.db2.gz NYABQJDDJUINJS-GXSJLCMTSA-N 2 2 284.322 0.999 20 0 CCADLP C[C@@H](COCC(F)(F)F)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 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20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000492908902 237338675 /nfs/dbraw/zinc/33/86/75/237338675.db2.gz GXMCVDDEEWPPPF-UIIMQBOASA-N 2 2 290.367 0.604 20 0 CCADLP Cc1cc(C[N@@H+](CCO)C2CC[NH+](C)CC2)on1 ZINC000591923189 359702121 /nfs/dbraw/zinc/70/21/21/359702121.db2.gz VCEJKQRLOQFACI-UHFFFAOYSA-N 2 2 253.346 0.872 20 0 CCADLP Cc1cc(C[N@H+](CCO)C2CC[NH+](C)CC2)on1 ZINC000591923189 359702123 /nfs/dbraw/zinc/70/21/23/359702123.db2.gz VCEJKQRLOQFACI-UHFFFAOYSA-N 2 2 253.346 0.872 20 0 CCADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H]([NH3+])C(C)C)C2)CC1 ZINC000592134433 359762820 /nfs/dbraw/zinc/76/28/20/359762820.db2.gz VBKJSAINIONCMB-CABCVRRESA-N 2 2 296.459 0.598 20 0 CCADLP Cc1ncc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c(=O)[nH]1 ZINC000563153933 291200178 /nfs/dbraw/zinc/20/01/78/291200178.db2.gz GZQPSPZQRQWKJJ-BFHYXJOUSA-N 2 2 292.383 0.737 20 0 CCADLP C[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)c1[nH+]ccn1C ZINC000620612635 366547120 /nfs/dbraw/zinc/54/71/20/366547120.db2.gz ZVCQKCFWNNAJKC-LLVKDONJSA-N 2 2 290.371 0.669 20 0 CCADLP C[C@H](C(=O)NCCC[C@@H]1CCC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000563159256 291201106 /nfs/dbraw/zinc/20/11/06/291201106.db2.gz GXWGCGVAEBDVCM-KGLIPLIRSA-N 2 2 282.432 0.271 20 0 CCADLP Nc1ccc(NC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)c[nH+]1 ZINC000592467977 359847435 /nfs/dbraw/zinc/84/74/35/359847435.db2.gz IPSYWOLHJIRESC-VIFPVBQESA-N 2 2 286.339 0.779 20 0 CCADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NCC(C)C)CC[C@@H]1[NH3+] ZINC000592487948 359854537 /nfs/dbraw/zinc/85/45/37/359854537.db2.gz DICCTSBVQBITPG-XQQFMLRXSA-N 2 2 298.431 0.916 20 0 CCADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NCC(C)C)CC[C@@H]1[NH3+] ZINC000592487948 359854540 /nfs/dbraw/zinc/85/45/40/359854540.db2.gz DICCTSBVQBITPG-XQQFMLRXSA-N 2 2 298.431 0.916 20 0 CCADLP COCCn1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cn1 ZINC000563349875 291215659 /nfs/dbraw/zinc/21/56/59/291215659.db2.gz KKXYSCDVCOTDMB-WCQYABFASA-N 2 2 252.362 0.841 20 0 CCADLP COCCn1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cn1 ZINC000563349875 291215662 /nfs/dbraw/zinc/21/56/62/291215662.db2.gz KKXYSCDVCOTDMB-WCQYABFASA-N 2 2 252.362 0.841 20 0 CCADLP [NH3+]C[C@@H](NC(=O)NCc1[nH]cc[nH+]1)C(F)(F)F ZINC000655922353 412697692 /nfs/dbraw/zinc/69/76/92/412697692.db2.gz QAABMVPXDDBYJO-RXMQYKEDSA-N 2 2 251.212 0.099 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC000593905703 360203204 /nfs/dbraw/zinc/20/32/04/360203204.db2.gz BNJHBRONYUMBRK-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC000593905703 360203209 /nfs/dbraw/zinc/20/32/09/360203209.db2.gz BNJHBRONYUMBRK-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000593907276 360204161 /nfs/dbraw/zinc/20/41/61/360204161.db2.gz JYRTVARLEACKAJ-RYUDHWBXSA-N 2 2 294.355 0.198 20 0 CCADLP CC[C@H](C)C[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(=O)OC ZINC000593907405 360204583 /nfs/dbraw/zinc/20/45/83/360204583.db2.gz SBJUCOISXFZVMX-SDDRHHMPSA-N 2 2 287.404 0.359 20 0 CCADLP CCOC[C@H](C(=O)OC)[N@H+](C)CCCn1cc[nH+]c1 ZINC000611431185 363716706 /nfs/dbraw/zinc/71/67/06/363716706.db2.gz YCFJOJFUMJRNNC-GFCCVEGCSA-N 2 2 269.345 0.783 20 0 CCADLP CCOC[C@H](C(=O)OC)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000611431185 363716711 /nfs/dbraw/zinc/71/67/11/363716711.db2.gz YCFJOJFUMJRNNC-GFCCVEGCSA-N 2 2 269.345 0.783 20 0 CCADLP c1cc2n(n1)C[C@H](C[NH2+][C@H]1CC[N@@H+](C3CC3)C1)CN2 ZINC000595148515 360445323 /nfs/dbraw/zinc/44/53/23/360445323.db2.gz YAHVACCTCHWCKH-NEPJUHHUSA-N 2 2 261.373 0.751 20 0 CCADLP c1cc2n(n1)C[C@H](C[NH2+][C@H]1CC[N@H+](C3CC3)C1)CN2 ZINC000595148515 360445329 /nfs/dbraw/zinc/44/53/29/360445329.db2.gz YAHVACCTCHWCKH-NEPJUHHUSA-N 2 2 261.373 0.751 20 0 CCADLP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000594943217 360422527 /nfs/dbraw/zinc/42/25/27/360422527.db2.gz AZOYLVGRZDZHAB-ZMLRMANQSA-N 2 2 251.330 0.750 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000594946048 360424396 /nfs/dbraw/zinc/42/43/96/360424396.db2.gz MXQBZUSIDACVHO-DDHJBXDOSA-N 2 2 263.341 0.985 20 0 CCADLP c1cnn(-c2cccc(C[NH2+]C[C@H]3C[NH2+]CCO3)c2)c1 ZINC000563460799 291232394 /nfs/dbraw/zinc/23/23/94/291232394.db2.gz SGTQDFYJPVRTBT-OAHLLOKOSA-N 2 2 272.352 0.950 20 0 CCADLP CCOC(=O)CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595869064 360685919 /nfs/dbraw/zinc/68/59/19/360685919.db2.gz UDQYLLWGOMCZNJ-CYBMUJFWSA-N 2 2 270.373 0.471 20 0 CCADLP CCOC(=O)CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595869064 360685922 /nfs/dbraw/zinc/68/59/22/360685922.db2.gz UDQYLLWGOMCZNJ-CYBMUJFWSA-N 2 2 270.373 0.471 20 0 CCADLP CC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000178883817 189152454 /nfs/dbraw/zinc/15/24/54/189152454.db2.gz VIQYKGHBFVIHOS-LBPRGKRZSA-N 2 2 282.413 0.833 20 0 CCADLP COC(=O)Cc1cc[nH+]c(NCCC[NH+]2CCOCC2)c1 ZINC000596051096 360781299 /nfs/dbraw/zinc/78/12/99/360781299.db2.gz LJYPILHWVHTXGU-UHFFFAOYSA-N 2 2 293.367 0.353 20 0 CCADLP C[C@H](O)C[N@H+](C)C1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493520941 238189017 /nfs/dbraw/zinc/18/90/17/238189017.db2.gz MOTJONWJAJZCRK-PCAWENJQSA-N 2 2 292.383 0.727 20 0 CCADLP C[C@H](O)C[N@@H+](C)C1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493520941 238189021 /nfs/dbraw/zinc/18/90/21/238189021.db2.gz MOTJONWJAJZCRK-PCAWENJQSA-N 2 2 292.383 0.727 20 0 CCADLP Nc1nc(-n2cccn2)cc(N2C[C@H]3CCC[C@@H](C2)[NH2+]3)[nH+]1 ZINC000563664255 291246099 /nfs/dbraw/zinc/24/60/99/291246099.db2.gz WWVDQYPWJOHRNM-PHIMTYICSA-N 2 2 285.355 0.406 20 0 CCADLP O=C(/C=C\c1[nH]cc[nH+]1)N1CC[NH+](C2CCOCC2)CC1 ZINC000493711368 238320509 /nfs/dbraw/zinc/32/05/09/238320509.db2.gz DEQAZVQBOFJGNG-UPHRSURJSA-N 2 2 290.367 0.746 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+]2CCO[C@H](C)C2)C1 ZINC000563725798 291249389 /nfs/dbraw/zinc/24/93/89/291249389.db2.gz NOHVZVGMKBDHPM-CHWSQXEVSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+]2CCO[C@H](C)C2)C1 ZINC000563725798 291249391 /nfs/dbraw/zinc/24/93/91/291249391.db2.gz NOHVZVGMKBDHPM-CHWSQXEVSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000563725798 291249392 /nfs/dbraw/zinc/24/93/92/291249392.db2.gz NOHVZVGMKBDHPM-CHWSQXEVSA-N 2 2 269.389 0.165 20 0 CCADLP CNS(=O)(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000621259882 366686259 /nfs/dbraw/zinc/68/62/59/366686259.db2.gz KZTSACWNRHMOSQ-ZDUSSCGKSA-N 2 2 289.445 0.343 20 0 CCADLP CNS(=O)(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000621259882 366686263 /nfs/dbraw/zinc/68/62/63/366686263.db2.gz KZTSACWNRHMOSQ-ZDUSSCGKSA-N 2 2 289.445 0.343 20 0 CCADLP CCc1ncc(CN2CC[N@H+](C)C[C@H]2C[NH3+])s1 ZINC000563889633 291256720 /nfs/dbraw/zinc/25/67/20/291256720.db2.gz ZTQBXCJISRLKPS-SNVBAGLBSA-N 2 2 254.403 0.780 20 0 CCADLP CCc1ncc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])s1 ZINC000563889633 291256722 /nfs/dbraw/zinc/25/67/22/291256722.db2.gz ZTQBXCJISRLKPS-SNVBAGLBSA-N 2 2 254.403 0.780 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CCS(=O)(=O)NC)[C@@H](C)C1 ZINC000621267238 366692755 /nfs/dbraw/zinc/69/27/55/366692755.db2.gz SOMIQGSLYBMZID-RYUDHWBXSA-N 2 2 277.434 0.198 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CCS(=O)(=O)NC)[C@@H](C)C1 ZINC000621267238 366692758 /nfs/dbraw/zinc/69/27/58/366692758.db2.gz SOMIQGSLYBMZID-RYUDHWBXSA-N 2 2 277.434 0.198 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CCS(=O)(=O)NC)[C@@H](C)C1 ZINC000621267238 366692761 /nfs/dbraw/zinc/69/27/61/366692761.db2.gz SOMIQGSLYBMZID-RYUDHWBXSA-N 2 2 277.434 0.198 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CCS(=O)(=O)NC)[C@@H](C)C1 ZINC000621267238 366692770 /nfs/dbraw/zinc/69/27/70/366692770.db2.gz SOMIQGSLYBMZID-RYUDHWBXSA-N 2 2 277.434 0.198 20 0 CCADLP C[NH+]1CCN(CCCSc2nc(N)cc(N)[nH+]2)CC1 ZINC000181308080 189293223 /nfs/dbraw/zinc/29/32/23/189293223.db2.gz NQVXYNOOUIPJRN-UHFFFAOYSA-N 2 2 282.417 0.371 20 0 CCADLP CCN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000631820693 370685181 /nfs/dbraw/zinc/68/51/81/370685181.db2.gz DIGGHHZWNWPWGN-VIFPVBQESA-N 2 2 267.295 0.678 20 0 CCADLP CCN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000631820693 370685183 /nfs/dbraw/zinc/68/51/83/370685183.db2.gz DIGGHHZWNWPWGN-VIFPVBQESA-N 2 2 267.295 0.678 20 0 CCADLP C(c1noc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)n1)C1CC1 ZINC000631827462 370695048 /nfs/dbraw/zinc/69/50/48/370695048.db2.gz OTJPPDMIMDJGEA-CYBMUJFWSA-N 2 2 291.399 0.502 20 0 CCADLP O=C1[C@@H]([NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)CCN1C1CCC1 ZINC000631826098 370693128 /nfs/dbraw/zinc/69/31/28/370693128.db2.gz FANGHGXMMLKYPO-CABCVRRESA-N 2 2 292.427 0.119 20 0 CCADLP C(c1noc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)n1)C1CC1 ZINC000631827462 370695053 /nfs/dbraw/zinc/69/50/53/370695053.db2.gz OTJPPDMIMDJGEA-CYBMUJFWSA-N 2 2 291.399 0.502 20 0 CCADLP CCCn1nccc1NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000631823159 370688784 /nfs/dbraw/zinc/68/87/84/370688784.db2.gz XNGPHNXUICPTMA-VXGBXAGGSA-N 2 2 279.388 0.901 20 0 CCADLP CCCn1nccc1NC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000631823159 370688788 /nfs/dbraw/zinc/68/87/88/370688788.db2.gz XNGPHNXUICPTMA-VXGBXAGGSA-N 2 2 279.388 0.901 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC(C)(C)CC[C@H]1CO ZINC000621381401 366756833 /nfs/dbraw/zinc/75/68/33/366756833.db2.gz SHDSKRWHVPFBDT-UONOGXRCSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC(C)(C)CC[C@H]1CO ZINC000621381401 366756841 /nfs/dbraw/zinc/75/68/41/366756841.db2.gz SHDSKRWHVPFBDT-UONOGXRCSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC(C)(C)CC[C@H]1CO ZINC000621381401 366756843 /nfs/dbraw/zinc/75/68/43/366756843.db2.gz SHDSKRWHVPFBDT-UONOGXRCSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC(C)(C)CC[C@H]1CO ZINC000621381401 366756849 /nfs/dbraw/zinc/75/68/49/366756849.db2.gz SHDSKRWHVPFBDT-UONOGXRCSA-N 2 2 288.432 0.408 20 0 CCADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)[C@@H]1CCOC1 ZINC000301641615 201111288 /nfs/dbraw/zinc/11/12/88/201111288.db2.gz CIPLPJFXJIECCL-MCIONIFRSA-N 2 2 255.406 0.637 20 0 CCADLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)[C@@H]1CCOC1 ZINC000301641615 201111292 /nfs/dbraw/zinc/11/12/92/201111292.db2.gz CIPLPJFXJIECCL-MCIONIFRSA-N 2 2 255.406 0.637 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@H]2CCOC2(C)C)C[C@@H](C)O1 ZINC000564289088 291272957 /nfs/dbraw/zinc/27/29/57/291272957.db2.gz LYPVRIKKHXYVPC-SYQHCUMBSA-N 2 2 286.416 0.614 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000621642462 366815637 /nfs/dbraw/zinc/81/56/37/366815637.db2.gz NQRLOUYNWPUXGP-UONOGXRCSA-N 2 2 283.416 0.603 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000621642462 366815638 /nfs/dbraw/zinc/81/56/38/366815638.db2.gz NQRLOUYNWPUXGP-UONOGXRCSA-N 2 2 283.416 0.603 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000183546458 189362255 /nfs/dbraw/zinc/36/22/55/189362255.db2.gz IEXAZOXXVGESNO-LLVKDONJSA-N 2 2 278.356 0.208 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000183546458 189362256 /nfs/dbraw/zinc/36/22/56/189362256.db2.gz IEXAZOXXVGESNO-LLVKDONJSA-N 2 2 278.356 0.208 20 0 CCADLP C[NH2+]CCOCC[N@H+](C)Cc1nc(CC2CC2)no1 ZINC000631830181 370695619 /nfs/dbraw/zinc/69/56/19/370695619.db2.gz LUAWGDYWVOIVSZ-UHFFFAOYSA-N 2 2 268.361 0.690 20 0 CCADLP C[NH2+]CCOCC[N@@H+](C)Cc1nc(CC2CC2)no1 ZINC000631830181 370695622 /nfs/dbraw/zinc/69/56/22/370695622.db2.gz LUAWGDYWVOIVSZ-UHFFFAOYSA-N 2 2 268.361 0.690 20 0 CCADLP C[C@H](CNc1nc(N(C)C)cc[nH+]1)C[NH+]1CCOCC1 ZINC000301796918 201203074 /nfs/dbraw/zinc/20/30/74/201203074.db2.gz ZBHNMDMZFBLWHU-GFCCVEGCSA-N 2 2 279.388 0.923 20 0 CCADLP COC(=O)CCNC(=O)CC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000599009790 361554090 /nfs/dbraw/zinc/55/40/90/361554090.db2.gz ZAXLJIBNOKRJRL-NEPJUHHUSA-N 2 2 297.399 0.271 20 0 CCADLP COC(=O)CCNC(=O)CC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000599009790 361554095 /nfs/dbraw/zinc/55/40/95/361554095.db2.gz ZAXLJIBNOKRJRL-NEPJUHHUSA-N 2 2 297.399 0.271 20 0 CCADLP COC(=O)CCNC(=O)CC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000599009792 361554134 /nfs/dbraw/zinc/55/41/34/361554134.db2.gz ZAXLJIBNOKRJRL-RYUDHWBXSA-N 2 2 297.399 0.271 20 0 CCADLP COC(=O)CCNC(=O)CC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000599009792 361554137 /nfs/dbraw/zinc/55/41/37/361554137.db2.gz ZAXLJIBNOKRJRL-RYUDHWBXSA-N 2 2 297.399 0.271 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCN1CCN(c2[nH]cc[nH+]2)CC1 ZINC000564464989 291281373 /nfs/dbraw/zinc/28/13/73/291281373.db2.gz CADWYSGAYYSVNL-CYBMUJFWSA-N 2 2 279.388 0.252 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCN1CCN(c2[nH]cc[nH+]2)CC1 ZINC000564464989 291281374 /nfs/dbraw/zinc/28/13/74/291281374.db2.gz CADWYSGAYYSVNL-CYBMUJFWSA-N 2 2 279.388 0.252 20 0 CCADLP C[C@@H]1COCCN1CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000564464989 291281375 /nfs/dbraw/zinc/28/13/75/291281375.db2.gz CADWYSGAYYSVNL-CYBMUJFWSA-N 2 2 279.388 0.252 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000599288811 361634391 /nfs/dbraw/zinc/63/43/91/361634391.db2.gz WWPGMHZWXBAJNS-STQMWFEESA-N 2 2 281.356 0.834 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000599288811 361634396 /nfs/dbraw/zinc/63/43/96/361634396.db2.gz WWPGMHZWXBAJNS-STQMWFEESA-N 2 2 281.356 0.834 20 0 CCADLP COC(=O)c1cnc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cn1 ZINC000599425837 361693889 /nfs/dbraw/zinc/69/38/89/361693889.db2.gz PSKQMIDRUPKOLQ-OAHLLOKOSA-N 2 2 290.367 0.791 20 0 CCADLP COC(=O)c1cnc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cn1 ZINC000599425837 361693897 /nfs/dbraw/zinc/69/38/97/361693897.db2.gz PSKQMIDRUPKOLQ-OAHLLOKOSA-N 2 2 290.367 0.791 20 0 CCADLP COC(=O)c1cnc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cn1 ZINC000599425837 361693902 /nfs/dbraw/zinc/69/39/02/361693902.db2.gz PSKQMIDRUPKOLQ-OAHLLOKOSA-N 2 2 290.367 0.791 20 0 CCADLP COC(=O)c1cnc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cn1 ZINC000599425837 361693906 /nfs/dbraw/zinc/69/39/06/361693906.db2.gz PSKQMIDRUPKOLQ-OAHLLOKOSA-N 2 2 290.367 0.791 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2cscn2)CC1 ZINC000611973106 363820109 /nfs/dbraw/zinc/82/01/09/363820109.db2.gz GUCCVRZIHNJLFH-UHFFFAOYSA-N 2 2 296.440 0.828 20 0 CCADLP C[NH2+]CCOCC[N@H+](C)CC(=O)Nc1ccccn1 ZINC000631830279 370697716 /nfs/dbraw/zinc/69/77/16/370697716.db2.gz OGDHCCGWIMOCOA-UHFFFAOYSA-N 2 2 266.345 0.188 20 0 CCADLP C[NH2+]CCOCC[N@@H+](C)CC(=O)Nc1ccccn1 ZINC000631830279 370697724 /nfs/dbraw/zinc/69/77/24/370697724.db2.gz OGDHCCGWIMOCOA-UHFFFAOYSA-N 2 2 266.345 0.188 20 0 CCADLP O=C(N[C@H]1CC12CC[NH2+]CC2)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000612988267 364073178 /nfs/dbraw/zinc/07/31/78/364073178.db2.gz PQYCJFKEVQZRHI-MFKMUULPSA-N 2 2 289.383 0.708 20 0 CCADLP O=C(N[C@H]1CC12CC[NH2+]CC2)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000612988267 364073188 /nfs/dbraw/zinc/07/31/88/364073188.db2.gz PQYCJFKEVQZRHI-MFKMUULPSA-N 2 2 289.383 0.708 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612984432 364068737 /nfs/dbraw/zinc/06/87/37/364068737.db2.gz TZCGITHBMBLUQN-NSHDSACASA-N 2 2 277.372 0.844 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)NCc2cccs2)C[C@H]1C[NH3+] ZINC000631842969 370708439 /nfs/dbraw/zinc/70/84/39/370708439.db2.gz IBVNWEWLIRXXNL-GHMZBOCLSA-N 2 2 267.398 0.891 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)NCc2cccs2)C[C@H]1C[NH3+] ZINC000631842969 370708447 /nfs/dbraw/zinc/70/84/47/370708447.db2.gz IBVNWEWLIRXXNL-GHMZBOCLSA-N 2 2 267.398 0.891 20 0 CCADLP CC(C)[C@H]1CN(S(=O)(=O)CC2([NH+](C)C)CC2)CC[NH2+]1 ZINC000631930734 370763624 /nfs/dbraw/zinc/76/36/24/370763624.db2.gz WWHGUQXDXRLBHK-GFCCVEGCSA-N 2 2 289.445 0.340 20 0 CCADLP CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631888375 370737770 /nfs/dbraw/zinc/73/77/70/370737770.db2.gz YMZBUTLEOVBEOO-AVGNSLFASA-N 2 2 253.390 0.975 20 0 CCADLP CC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631888375 370737775 /nfs/dbraw/zinc/73/77/75/370737775.db2.gz YMZBUTLEOVBEOO-AVGNSLFASA-N 2 2 253.390 0.975 20 0 CCADLP CN(CC1CC1)C(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631888150 370738508 /nfs/dbraw/zinc/73/85/08/370738508.db2.gz UGVJRPCNORRSIH-UONOGXRCSA-N 2 2 265.401 0.929 20 0 CCADLP CN(CC1CC1)C(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631888150 370738511 /nfs/dbraw/zinc/73/85/11/370738511.db2.gz UGVJRPCNORRSIH-UONOGXRCSA-N 2 2 265.401 0.929 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631888365 370738531 /nfs/dbraw/zinc/73/85/31/370738531.db2.gz VLNLMVBXIRDONS-CABCVRRESA-N 2 2 297.443 0.993 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631888365 370738535 /nfs/dbraw/zinc/73/85/35/370738535.db2.gz VLNLMVBXIRDONS-CABCVRRESA-N 2 2 297.443 0.993 20 0 CCADLP C[NH+](C)CCOCCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000613286493 364199554 /nfs/dbraw/zinc/19/95/54/364199554.db2.gz YKVGDVIQKASEBT-LLVKDONJSA-N 2 2 280.372 0.209 20 0 CCADLP C[NH+](C)CCOCCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000613286493 364199560 /nfs/dbraw/zinc/19/95/60/364199560.db2.gz YKVGDVIQKASEBT-LLVKDONJSA-N 2 2 280.372 0.209 20 0 CCADLP CN(C)c1cccc(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)n1 ZINC000564848682 291306693 /nfs/dbraw/zinc/30/66/93/291306693.db2.gz FJUDKFACOJWJDQ-AWEZNQCLSA-N 2 2 278.400 0.692 20 0 CCADLP CN(C)c1cccc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)n1 ZINC000564848682 291306696 /nfs/dbraw/zinc/30/66/96/291306696.db2.gz FJUDKFACOJWJDQ-AWEZNQCLSA-N 2 2 278.400 0.692 20 0 CCADLP COCCCCC[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000564848501 291306714 /nfs/dbraw/zinc/30/67/14/291306714.db2.gz XTVWTVSEDLEQIE-KFWWJZLASA-N 2 2 288.432 0.863 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)CN[C@@H]2CC[NH+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000564853237 291307208 /nfs/dbraw/zinc/30/72/08/291307208.db2.gz AGHRBCAFBGRLNF-AALSBFMBSA-N 2 2 299.459 0.529 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)CN[C@@H]2CC[NH+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000564853237 291307209 /nfs/dbraw/zinc/30/72/09/291307209.db2.gz AGHRBCAFBGRLNF-AALSBFMBSA-N 2 2 299.459 0.529 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000564853237 291307211 /nfs/dbraw/zinc/30/72/11/291307211.db2.gz AGHRBCAFBGRLNF-AALSBFMBSA-N 2 2 299.459 0.529 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000564853237 291307213 /nfs/dbraw/zinc/30/72/13/291307213.db2.gz AGHRBCAFBGRLNF-AALSBFMBSA-N 2 2 299.459 0.529 20 0 CCADLP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])c1cscn1 ZINC000564904913 291312967 /nfs/dbraw/zinc/31/29/67/291312967.db2.gz FMQJLRMTHHHMKH-WCBMZHEXSA-N 2 2 254.359 0.353 20 0 CCADLP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])c1cscn1 ZINC000564904913 291312969 /nfs/dbraw/zinc/31/29/69/291312969.db2.gz FMQJLRMTHHHMKH-WCBMZHEXSA-N 2 2 254.359 0.353 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C1([NH+](C)C)CC1 ZINC000614179542 364521674 /nfs/dbraw/zinc/52/16/74/364521674.db2.gz RBGGSUFLKXYRLD-GFCCVEGCSA-N 2 2 269.389 0.260 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621781122 366864764 /nfs/dbraw/zinc/86/47/64/366864764.db2.gz ZIMHCVTUVMLBFX-SCRDCRAPSA-N 2 2 269.389 0.341 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621781122 366864767 /nfs/dbraw/zinc/86/47/67/366864767.db2.gz ZIMHCVTUVMLBFX-SCRDCRAPSA-N 2 2 269.389 0.341 20 0 CCADLP Cc1cc(NC(=O)CC[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)no1 ZINC000621780221 366864876 /nfs/dbraw/zinc/86/48/76/366864876.db2.gz OWQBJBFOUVJWDA-BXUZGUMPSA-N 2 2 278.356 0.547 20 0 CCADLP Cc1cc(NC(=O)CC[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)no1 ZINC000621780221 366864880 /nfs/dbraw/zinc/86/48/80/366864880.db2.gz OWQBJBFOUVJWDA-BXUZGUMPSA-N 2 2 278.356 0.547 20 0 CCADLP Cc1ccn2cc(CNC(=O)N[C@@H]3CC[NH2+]C3)[nH+]c2c1 ZINC000335636185 212352333 /nfs/dbraw/zinc/35/23/33/212352333.db2.gz XLZGQDNIXZSPHH-LLVKDONJSA-N 2 2 273.340 0.804 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000564976667 291329311 /nfs/dbraw/zinc/32/93/11/291329311.db2.gz AWJZEMHJHYTPLV-HUUCEWRRSA-N 2 2 282.384 0.076 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615551274 365004885 /nfs/dbraw/zinc/00/48/85/365004885.db2.gz XFOPUXIGKWVANS-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615551274 365004886 /nfs/dbraw/zinc/00/48/86/365004886.db2.gz XFOPUXIGKWVANS-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP Cn1ncc2c1nc(N)[nH+]c2N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000656110205 412742185 /nfs/dbraw/zinc/74/21/85/412742185.db2.gz YIHMNFGGGKRKFZ-VHSXEESVSA-N 2 2 287.371 0.984 20 0 CCADLP Cn1ncc2c1nc(N)[nH+]c2N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000656110205 412742188 /nfs/dbraw/zinc/74/21/88/412742188.db2.gz YIHMNFGGGKRKFZ-VHSXEESVSA-N 2 2 287.371 0.984 20 0 CCADLP C[NH+](C)CC(C)(C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000616188296 365208715 /nfs/dbraw/zinc/20/87/15/365208715.db2.gz RNAIUCHLHVKSRX-NSHDSACASA-N 2 2 264.373 0.902 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1([NH+](C)C)CC1 ZINC000616340771 365275078 /nfs/dbraw/zinc/27/50/78/365275078.db2.gz IJFHMBJUBFQKFA-GHMZBOCLSA-N 2 2 262.357 0.734 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000565183263 291353765 /nfs/dbraw/zinc/35/37/65/291353765.db2.gz VYAPYIJSZYBJGW-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000565183263 291353767 /nfs/dbraw/zinc/35/37/67/291353767.db2.gz VYAPYIJSZYBJGW-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000565183263 291353768 /nfs/dbraw/zinc/35/37/68/291353768.db2.gz VYAPYIJSZYBJGW-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000565183263 291353769 /nfs/dbraw/zinc/35/37/69/291353769.db2.gz VYAPYIJSZYBJGW-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)[C@H](C)O ZINC000622144509 367058115 /nfs/dbraw/zinc/05/81/15/367058115.db2.gz KFJUXNHXBDVUFO-QWHCGFSZSA-N 2 2 273.421 0.393 20 0 CCADLP CC[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)[C@H](C)O ZINC000622144509 367058122 /nfs/dbraw/zinc/05/81/22/367058122.db2.gz KFJUXNHXBDVUFO-QWHCGFSZSA-N 2 2 273.421 0.393 20 0 CCADLP CC[C@@H](Nc1ccccc1)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000566200718 291374847 /nfs/dbraw/zinc/37/48/47/291374847.db2.gz XWCWTZHDYTXZEP-LSDHHAIUSA-N 2 2 290.411 0.978 20 0 CCADLP CC[C@@H](Nc1ccccc1)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000566200718 291374850 /nfs/dbraw/zinc/37/48/50/291374850.db2.gz XWCWTZHDYTXZEP-LSDHHAIUSA-N 2 2 290.411 0.978 20 0 CCADLP CC[C@@H](C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1)[NH+](C)C ZINC000622345352 367123090 /nfs/dbraw/zinc/12/30/90/367123090.db2.gz YDTSPFHHRIFROL-JTQLQIEISA-N 2 2 297.403 0.823 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]C[C@H]2CCC[C@@H]2O)C[C@H](C)O1 ZINC000566231652 291379968 /nfs/dbraw/zinc/37/99/68/291379968.db2.gz DNZQLAMAHZXNPZ-SEBNEYGDSA-N 2 2 286.416 0.207 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]C[C@H]2CCC[C@@H]2O)C[C@H](C)O1 ZINC000566231652 291379971 /nfs/dbraw/zinc/37/99/71/291379971.db2.gz DNZQLAMAHZXNPZ-SEBNEYGDSA-N 2 2 286.416 0.207 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C[NH2+]1 ZINC000623180689 367468933 /nfs/dbraw/zinc/46/89/33/367468933.db2.gz UPSBJSMPKGGNKD-IJLUTSLNSA-N 2 2 262.357 0.702 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623255176 367491180 /nfs/dbraw/zinc/49/11/80/367491180.db2.gz RXMVAOKIJTVNBK-NSHDSACASA-N 2 2 285.351 0.700 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CCCN(C)CC[NH+](C)C)n1C ZINC000623087527 367445734 /nfs/dbraw/zinc/44/57/34/367445734.db2.gz XCGBNRCXHDDCHZ-UHFFFAOYSA-N 3 2 267.421 0.702 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623303936 367525449 /nfs/dbraw/zinc/52/54/49/367525449.db2.gz NPZSILQYDGMRDI-DGCLKSJQSA-N 2 2 262.357 0.798 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623303936 367525450 /nfs/dbraw/zinc/52/54/50/367525450.db2.gz NPZSILQYDGMRDI-DGCLKSJQSA-N 2 2 262.357 0.798 20 0 CCADLP O=C(N[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000623303079 367525504 /nfs/dbraw/zinc/52/55/04/367525504.db2.gz VMXRTQWWLKOJMI-BXUZGUMPSA-N 2 2 274.368 0.941 20 0 CCADLP O=C(N[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CCC[N@H+]1C1CC1 ZINC000623303079 367525505 /nfs/dbraw/zinc/52/55/05/367525505.db2.gz VMXRTQWWLKOJMI-BXUZGUMPSA-N 2 2 274.368 0.941 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000623306066 367527338 /nfs/dbraw/zinc/52/73/38/367527338.db2.gz GCVCRCZSGNFVSZ-DGCLKSJQSA-N 2 2 278.356 0.035 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000623306066 367527341 /nfs/dbraw/zinc/52/73/41/367527341.db2.gz GCVCRCZSGNFVSZ-DGCLKSJQSA-N 2 2 278.356 0.035 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623460934 367566913 /nfs/dbraw/zinc/56/69/13/367566913.db2.gz ZDPSILNFHAMFKC-ZDUSSCGKSA-N 2 2 295.387 0.211 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623460934 367566918 /nfs/dbraw/zinc/56/69/18/367566918.db2.gz ZDPSILNFHAMFKC-ZDUSSCGKSA-N 2 2 295.387 0.211 20 0 CCADLP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@H]1CSC[NH2+]1 ZINC000566252148 291385592 /nfs/dbraw/zinc/38/55/92/291385592.db2.gz KRPPDSNVDVSVEV-LLVKDONJSA-N 2 2 279.365 0.770 20 0 CCADLP C[C@@H](CNC(=O)NC[C@@H]1COCC[N@@H+]1C)C[NH+]1CCCC1 ZINC000623713007 367627895 /nfs/dbraw/zinc/62/78/95/367627895.db2.gz QIPBSTRZVMPTKT-UONOGXRCSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@@H](CNC(=O)NC[C@@H]1COCC[N@H+]1C)C[NH+]1CCCC1 ZINC000623713007 367627897 /nfs/dbraw/zinc/62/78/97/367627897.db2.gz QIPBSTRZVMPTKT-UONOGXRCSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@H](NC(=O)NC[C@H]1COCC[N@@H+]1C)C1CC[NH+](C)CC1 ZINC000623724272 367637360 /nfs/dbraw/zinc/63/73/60/367637360.db2.gz ZVQVSNYXIRMOOI-JSGCOSHPSA-N 2 2 298.431 0.347 20 0 CCADLP C[C@H](NC(=O)NC[C@H]1COCC[N@H+]1C)C1CC[NH+](C)CC1 ZINC000623724272 367637364 /nfs/dbraw/zinc/63/73/64/367637364.db2.gz ZVQVSNYXIRMOOI-JSGCOSHPSA-N 2 2 298.431 0.347 20 0 CCADLP Nc1nc(N2CC[NH+](Cc3ccsc3)CC2)nc(N)[nH+]1 ZINC000623816175 367667396 /nfs/dbraw/zinc/66/73/96/367667396.db2.gz ZNTFEHWBCUMTHF-UHFFFAOYSA-N 2 2 291.384 0.080 20 0 CCADLP CC(C)[C@H]1C[C@@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)CCO1 ZINC000623837576 367674627 /nfs/dbraw/zinc/67/46/27/367674627.db2.gz KTEVUOQRGKFXLR-MELADBBJSA-N 2 2 256.390 0.846 20 0 CCADLP CC(C)[C@H]1C[C@@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)CCO1 ZINC000623837576 367674633 /nfs/dbraw/zinc/67/46/33/367674633.db2.gz KTEVUOQRGKFXLR-MELADBBJSA-N 2 2 256.390 0.846 20 0 CCADLP C[NH+](C)C1(CNC(=O)NC[C@H]2COCC[N@@H+]2C)CCC1 ZINC000623916764 367695420 /nfs/dbraw/zinc/69/54/20/367695420.db2.gz ZCLUOOHJIFQKGE-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP C[NH+](C)C1(CNC(=O)NC[C@H]2COCC[N@H+]2C)CCC1 ZINC000623916764 367695425 /nfs/dbraw/zinc/69/54/25/367695425.db2.gz ZCLUOOHJIFQKGE-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH2+]CCC[NH+]2CCC[C@H]2C(N)=O)[C@H](C)C1 ZINC000624085185 367747575 /nfs/dbraw/zinc/74/75/75/367747575.db2.gz DLPQWMNQCXYDDQ-KFWWJZLASA-N 3 2 296.459 0.646 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH2+]CCC[NH+]2CCC[C@H]2C(N)=O)[C@H](C)C1 ZINC000624085185 367747582 /nfs/dbraw/zinc/74/75/82/367747582.db2.gz DLPQWMNQCXYDDQ-KFWWJZLASA-N 3 2 296.459 0.646 20 0 CCADLP CC[NH+]1CC[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)[C@H](C)C1 ZINC000624085185 367747588 /nfs/dbraw/zinc/74/75/88/367747588.db2.gz DLPQWMNQCXYDDQ-KFWWJZLASA-N 3 2 296.459 0.646 20 0 CCADLP CC[NH+]1CC[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)[C@H](C)C1 ZINC000624085185 367747598 /nfs/dbraw/zinc/74/75/98/367747598.db2.gz DLPQWMNQCXYDDQ-KFWWJZLASA-N 3 2 296.459 0.646 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCC[C@H]2C(N)=O)CC[N@@H+]1C ZINC000624085372 367748066 /nfs/dbraw/zinc/74/80/66/367748066.db2.gz PWHACXQJIZPFFV-IHRRRGAJSA-N 3 2 282.432 0.399 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCC[C@H]2C(N)=O)CC[N@H+]1C ZINC000624085372 367748072 /nfs/dbraw/zinc/74/80/72/367748072.db2.gz PWHACXQJIZPFFV-IHRRRGAJSA-N 3 2 282.432 0.399 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CC[NH+]1C ZINC000624085372 367748076 /nfs/dbraw/zinc/74/80/76/367748076.db2.gz PWHACXQJIZPFFV-IHRRRGAJSA-N 3 2 282.432 0.399 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CC[NH+]1C ZINC000624085372 367748081 /nfs/dbraw/zinc/74/80/81/367748081.db2.gz PWHACXQJIZPFFV-IHRRRGAJSA-N 3 2 282.432 0.399 20 0 CCADLP Cc1nccnc1[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000275914812 193161174 /nfs/dbraw/zinc/16/11/74/193161174.db2.gz VAGYFMSUZLKVPV-WCQYABFASA-N 2 2 291.399 0.775 20 0 CCADLP Cc1nccnc1[C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000275914812 193161175 /nfs/dbraw/zinc/16/11/75/193161175.db2.gz VAGYFMSUZLKVPV-WCQYABFASA-N 2 2 291.399 0.775 20 0 CCADLP CN(CCC[N@H+](C)Cc1ccco1)c1nc(N)nc(N)[nH+]1 ZINC000624218826 367793817 /nfs/dbraw/zinc/79/38/17/367793817.db2.gz CHSCEKQQXJXXBQ-UHFFFAOYSA-N 2 2 291.359 0.248 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000624228876 367796558 /nfs/dbraw/zinc/79/65/58/367796558.db2.gz FCRVDUHTQCLBQB-MRVWCRGKSA-N 2 2 253.390 0.125 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000624228876 367796562 /nfs/dbraw/zinc/79/65/62/367796562.db2.gz FCRVDUHTQCLBQB-MRVWCRGKSA-N 2 2 253.390 0.125 20 0 CCADLP CO[C@H]1C[C@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC000624298663 367828254 /nfs/dbraw/zinc/82/82/54/367828254.db2.gz WTZODQBQKBMMFQ-WKILWMFISA-N 2 2 297.443 0.550 20 0 CCADLP CO[C@H]1C[C@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000624298663 367828260 /nfs/dbraw/zinc/82/82/60/367828260.db2.gz WTZODQBQKBMMFQ-WKILWMFISA-N 2 2 297.443 0.550 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000624324551 367832624 /nfs/dbraw/zinc/83/26/24/367832624.db2.gz ODDOMFHJKVLEQR-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000624324551 367832630 /nfs/dbraw/zinc/83/26/30/367832630.db2.gz ODDOMFHJKVLEQR-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP C[NH+]1CCOC[C@H]1CNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000624324551 367832639 /nfs/dbraw/zinc/83/26/39/367832639.db2.gz ODDOMFHJKVLEQR-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP C[NH+]1CCOC[C@H]1CNC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000624324551 367832645 /nfs/dbraw/zinc/83/26/45/367832645.db2.gz ODDOMFHJKVLEQR-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP CCc1cc(NC[C@@H]2COCC[N@@H+]2C)nc(C)[nH+]1 ZINC000624619479 367931533 /nfs/dbraw/zinc/93/15/33/367931533.db2.gz DEHGXHLYJXFZFA-GFCCVEGCSA-N 2 2 250.346 0.512 20 0 CCADLP CCc1cc(NC[C@@H]2COCC[N@H+]2C)nc(C)[nH+]1 ZINC000624619479 367931537 /nfs/dbraw/zinc/93/15/37/367931537.db2.gz DEHGXHLYJXFZFA-GFCCVEGCSA-N 2 2 250.346 0.512 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CN1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000625471042 368213043 /nfs/dbraw/zinc/21/30/43/368213043.db2.gz IENGGDFXSQPHGQ-CQSZACIVSA-N 2 2 263.389 0.622 20 0 CCADLP C[N@H+]1CCC[C@@H]1CN1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000625471042 368213050 /nfs/dbraw/zinc/21/30/50/368213050.db2.gz IENGGDFXSQPHGQ-CQSZACIVSA-N 2 2 263.389 0.622 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000566505906 291419291 /nfs/dbraw/zinc/41/92/91/291419291.db2.gz UZZFDHWWQXNGHI-BDAKNGLRSA-N 2 2 275.312 0.125 20 0 CCADLP Cn1c[nH+]cc1CCC[NH+]1CCN(c2nccnn2)CC1 ZINC000625643689 368284326 /nfs/dbraw/zinc/28/43/26/368284326.db2.gz AKHLQAILPZUHGH-UHFFFAOYSA-N 2 2 287.371 0.360 20 0 CCADLP C[NH2+]CCOCCN(C)C(=O)Nc1cc[nH+]cc1C ZINC000625874216 368354374 /nfs/dbraw/zinc/35/43/74/368354374.db2.gz ZDBONUBMJBSTGN-UHFFFAOYSA-N 2 2 266.345 0.512 20 0 CCADLP CCC1([NH+](C)C)CC[NH+](CCN2C(=O)N[C@H](C)C2=O)CC1 ZINC000640015491 376192497 /nfs/dbraw/zinc/19/24/97/376192497.db2.gz KMFAISQZNHPASF-GFCCVEGCSA-N 2 2 296.415 0.733 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCO[C@H](CC(N)=O)C1 ZINC000626077423 368428557 /nfs/dbraw/zinc/42/85/57/368428557.db2.gz JQIGUJUSYNKZRV-VXGBXAGGSA-N 2 2 255.362 0.047 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCO[C@H](CC(N)=O)C1 ZINC000626077423 368428563 /nfs/dbraw/zinc/42/85/63/368428563.db2.gz JQIGUJUSYNKZRV-VXGBXAGGSA-N 2 2 255.362 0.047 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626077423 368428565 /nfs/dbraw/zinc/42/85/65/368428565.db2.gz JQIGUJUSYNKZRV-VXGBXAGGSA-N 2 2 255.362 0.047 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626077423 368428569 /nfs/dbraw/zinc/42/85/69/368428569.db2.gz JQIGUJUSYNKZRV-VXGBXAGGSA-N 2 2 255.362 0.047 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCO[C@@H](CC(N)=O)C1 ZINC000626077420 368428778 /nfs/dbraw/zinc/42/87/78/368428778.db2.gz JQIGUJUSYNKZRV-NEPJUHHUSA-N 2 2 255.362 0.047 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCO[C@@H](CC(N)=O)C1 ZINC000626077420 368428784 /nfs/dbraw/zinc/42/87/84/368428784.db2.gz JQIGUJUSYNKZRV-NEPJUHHUSA-N 2 2 255.362 0.047 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626077420 368428791 /nfs/dbraw/zinc/42/87/91/368428791.db2.gz JQIGUJUSYNKZRV-NEPJUHHUSA-N 2 2 255.362 0.047 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626077420 368428798 /nfs/dbraw/zinc/42/87/98/368428798.db2.gz JQIGUJUSYNKZRV-NEPJUHHUSA-N 2 2 255.362 0.047 20 0 CCADLP CCC[C@]1(C)C(=O)NCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261658792 284045623 /nfs/dbraw/zinc/04/56/23/284045623.db2.gz BLXAEYYWQPXJAN-TZMCWYRMSA-N 2 2 253.390 0.977 20 0 CCADLP CCC[C@]1(C)C(=O)NCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261658792 284045624 /nfs/dbraw/zinc/04/56/24/284045624.db2.gz BLXAEYYWQPXJAN-TZMCWYRMSA-N 2 2 253.390 0.977 20 0 CCADLP COC(=O)[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@@H]1C ZINC000351637870 284060866 /nfs/dbraw/zinc/06/08/66/284060866.db2.gz WCWGPWKSSOAAKI-IACUBPJLSA-N 2 2 284.400 0.573 20 0 CCADLP COC(=O)[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@@H]1C ZINC000351637870 284060871 /nfs/dbraw/zinc/06/08/71/284060871.db2.gz WCWGPWKSSOAAKI-IACUBPJLSA-N 2 2 284.400 0.573 20 0 CCADLP COC(=O)[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C[C@@H]1C ZINC000351637870 284060874 /nfs/dbraw/zinc/06/08/74/284060874.db2.gz WCWGPWKSSOAAKI-IACUBPJLSA-N 2 2 284.400 0.573 20 0 CCADLP COC(=O)[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C[C@@H]1C ZINC000351637870 284060877 /nfs/dbraw/zinc/06/08/77/284060877.db2.gz WCWGPWKSSOAAKI-IACUBPJLSA-N 2 2 284.400 0.573 20 0 CCADLP COc1cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)[nH]n1 ZINC000626690722 368611122 /nfs/dbraw/zinc/61/11/22/368611122.db2.gz KKDFPPVLQSWHQU-UHFFFAOYSA-N 2 2 298.391 0.423 20 0 CCADLP COc1cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)[nH]n1 ZINC000626690722 368611123 /nfs/dbraw/zinc/61/11/23/368611123.db2.gz KKDFPPVLQSWHQU-UHFFFAOYSA-N 2 2 298.391 0.423 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1c[nH+]ccc1OC ZINC000626865640 368665174 /nfs/dbraw/zinc/66/51/74/368665174.db2.gz QZRXSLFGSMGWQI-VHSXEESVSA-N 2 2 292.339 0.285 20 0 CCADLP O=C(NCCCNc1cccc[nH+]1)NC[C@@H]1COCC[NH2+]1 ZINC000626938156 368686949 /nfs/dbraw/zinc/68/69/49/368686949.db2.gz NCSOPYGLRIDALV-GFCCVEGCSA-N 2 2 293.371 0.171 20 0 CCADLP CCC1([NH+](C)C)CC[NH+](CCN2C(=O)CN(C)C2=O)CC1 ZINC000640016060 376193369 /nfs/dbraw/zinc/19/33/69/376193369.db2.gz RDJBWRAGCKUITA-UHFFFAOYSA-N 2 2 296.415 0.687 20 0 CCADLP Cc1cc(N(C)S(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)cc[nH+]1 ZINC000632219599 370928663 /nfs/dbraw/zinc/92/86/63/370928663.db2.gz QSBQNAFUSOBQJQ-ZDUSSCGKSA-N 2 2 299.396 0.487 20 0 CCADLP Cc1cc(N(C)S(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)cc[nH+]1 ZINC000632219599 370928669 /nfs/dbraw/zinc/92/86/69/370928669.db2.gz QSBQNAFUSOBQJQ-ZDUSSCGKSA-N 2 2 299.396 0.487 20 0 CCADLP Cc1cc(NCCNC(=O)NCCC[NH3+])nc(C(C)C)[nH+]1 ZINC000627068995 368769356 /nfs/dbraw/zinc/76/93/56/368769356.db2.gz OIPSIHXNZNTMJB-UHFFFAOYSA-N 2 2 294.403 0.390 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)NC1(C[NH3+])CCOCC1 ZINC000627042758 368752861 /nfs/dbraw/zinc/75/28/61/368752861.db2.gz HZGNVTUPEOPUEM-UHFFFAOYSA-N 2 2 294.355 0.397 20 0 CCADLP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000627051374 368757940 /nfs/dbraw/zinc/75/79/40/368757940.db2.gz BOITUOGIKQHKJH-VXGBXAGGSA-N 2 2 295.387 0.766 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000627091904 368791292 /nfs/dbraw/zinc/79/12/92/368791292.db2.gz DHOGTIWRAQSFQZ-MGPQQGTHSA-N 2 2 298.431 0.381 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000627091904 368791296 /nfs/dbraw/zinc/79/12/96/368791296.db2.gz DHOGTIWRAQSFQZ-MGPQQGTHSA-N 2 2 298.431 0.381 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCC(CC[NH3+])CC1 ZINC000627182427 368851436 /nfs/dbraw/zinc/85/14/36/368851436.db2.gz ANUJQNUIMRXKBX-CYBMUJFWSA-N 2 2 284.404 0.087 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CCC(CC[NH3+])CC1 ZINC000627182427 368851437 /nfs/dbraw/zinc/85/14/37/368851437.db2.gz ANUJQNUIMRXKBX-CYBMUJFWSA-N 2 2 284.404 0.087 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000627183422 368851875 /nfs/dbraw/zinc/85/18/75/368851875.db2.gz JVPVPAHKAIGHPH-AVGNSLFASA-N 2 2 284.404 0.086 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000627183422 368851882 /nfs/dbraw/zinc/85/18/82/368851882.db2.gz JVPVPAHKAIGHPH-AVGNSLFASA-N 2 2 284.404 0.086 20 0 CCADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627250903 368916920 /nfs/dbraw/zinc/91/69/20/368916920.db2.gz LGCUMOUPDTXRST-CYBMUJFWSA-N 2 2 289.383 0.584 20 0 CCADLP Cn1cc[nH+]c1[C@H]1N(C(=O)N[C@@H]2CC[NH2+]C2)CC1(C)C ZINC000627251572 368917931 /nfs/dbraw/zinc/91/79/31/368917931.db2.gz QNYHFIOGJUQUCE-GHMZBOCLSA-N 2 2 277.372 0.875 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCCC23CC3)[C@H](C[NH3+])C1 ZINC000627253735 368920653 /nfs/dbraw/zinc/92/06/53/368920653.db2.gz GMSWJIIUWJNDOA-QWHCGFSZSA-N 2 2 280.416 0.851 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCCC23CC3)[C@H](C[NH3+])C1 ZINC000627253735 368920658 /nfs/dbraw/zinc/92/06/58/368920658.db2.gz GMSWJIIUWJNDOA-QWHCGFSZSA-N 2 2 280.416 0.851 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@H]2CCCC23CC3)[C@H](C[NH3+])C1 ZINC000627253733 368920685 /nfs/dbraw/zinc/92/06/85/368920685.db2.gz GMSWJIIUWJNDOA-CHWSQXEVSA-N 2 2 280.416 0.851 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@H]2CCCC23CC3)[C@H](C[NH3+])C1 ZINC000627253733 368920690 /nfs/dbraw/zinc/92/06/90/368920690.db2.gz GMSWJIIUWJNDOA-CHWSQXEVSA-N 2 2 280.416 0.851 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000628061244 369173490 /nfs/dbraw/zinc/17/34/90/369173490.db2.gz GALRWJZDOPWFPZ-QWHCGFSZSA-N 2 2 280.372 0.417 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000628061244 369173494 /nfs/dbraw/zinc/17/34/94/369173494.db2.gz GALRWJZDOPWFPZ-QWHCGFSZSA-N 2 2 280.372 0.417 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N(C)CC1C[NH+](C)C1)CC2 ZINC000628077052 369177857 /nfs/dbraw/zinc/17/78/57/369177857.db2.gz ONDZYEKBAFZUKY-CYBMUJFWSA-N 2 2 276.384 0.774 20 0 CCADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC000574338290 335011966 /nfs/dbraw/zinc/01/19/66/335011966.db2.gz RRUMHPDDPDVSGC-UONOGXRCSA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+]1CCO[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC000574338290 335011968 /nfs/dbraw/zinc/01/19/68/335011968.db2.gz RRUMHPDDPDVSGC-UONOGXRCSA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+]1CCO[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC000574338290 335011969 /nfs/dbraw/zinc/01/19/69/335011969.db2.gz RRUMHPDDPDVSGC-UONOGXRCSA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+](C)C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CCO1 ZINC000330751234 203189137 /nfs/dbraw/zinc/18/91/37/203189137.db2.gz ZCMCTWUYLLJEPF-NSHDSACASA-N 2 2 266.345 0.131 20 0 CCADLP Cc1ncc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c(C)n1 ZINC000330876964 203341769 /nfs/dbraw/zinc/34/17/69/203341769.db2.gz KDFLMAGYRBNIOC-YGRLFVJLSA-N 2 2 264.373 0.811 20 0 CCADLP Cc1ncc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c(C)n1 ZINC000330876964 203341773 /nfs/dbraw/zinc/34/17/73/203341773.db2.gz KDFLMAGYRBNIOC-YGRLFVJLSA-N 2 2 264.373 0.811 20 0 CCADLP C[C@H](CC(=O)NCC[N@@H+]1CC[C@@H](O)C1)n1cc[nH+]c1 ZINC000629168467 369543432 /nfs/dbraw/zinc/54/34/32/369543432.db2.gz XCBZBOVVYAUQBE-VXGBXAGGSA-N 2 2 266.345 0.017 20 0 CCADLP C[C@H](CC(=O)NCC[N@H+]1CC[C@@H](O)C1)n1cc[nH+]c1 ZINC000629168467 369543438 /nfs/dbraw/zinc/54/34/38/369543438.db2.gz XCBZBOVVYAUQBE-VXGBXAGGSA-N 2 2 266.345 0.017 20 0 CCADLP COCCn1cc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cn1 ZINC000629410517 369667559 /nfs/dbraw/zinc/66/75/59/369667559.db2.gz GADIIJXCKYAPJQ-DGCLKSJQSA-N 2 2 252.362 0.760 20 0 CCADLP [NH3+]C[C@H]1CN(CC[NH+]2CCOCC2)CC[C@@H]1C(F)(F)F ZINC000629564634 369712172 /nfs/dbraw/zinc/71/21/72/369712172.db2.gz SZVIOYPFIAZTIV-RYUDHWBXSA-N 2 2 295.349 0.778 20 0 CCADLP OCc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1F ZINC000629569392 369714869 /nfs/dbraw/zinc/71/48/69/369714869.db2.gz QBENQIYMIIYHDW-AWEZNQCLSA-N 2 2 282.359 0.864 20 0 CCADLP Cn1nc2c(c1C[NH2+]C[C@@H](O)C[NH+]1CCCC1)CCCC2 ZINC000629580164 369722629 /nfs/dbraw/zinc/72/26/29/369722629.db2.gz NSDPTZLGMJALAY-CYBMUJFWSA-N 2 2 292.427 0.845 20 0 CCADLP O=S1(=O)CCCC[C@@H]1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629575324 369717095 /nfs/dbraw/zinc/71/70/95/369717095.db2.gz RTDZTLYFBHKGJI-CHWSQXEVSA-N 2 2 290.429 0.000 20 0 CCADLP CN(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)c1c[nH+]cn1C ZINC000629453930 369671915 /nfs/dbraw/zinc/67/19/15/369671915.db2.gz XTANCQLCEZFBQN-WCQYABFASA-N 2 2 279.388 0.233 20 0 CCADLP CN(C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1C)c1c[nH+]cn1C ZINC000629453930 369671917 /nfs/dbraw/zinc/67/19/17/369671917.db2.gz XTANCQLCEZFBQN-WCQYABFASA-N 2 2 279.388 0.233 20 0 CCADLP C[N@H+](CCOCC[NH3+])CC(=O)Nc1nc2c(s1)CCC2 ZINC000629578242 369721104 /nfs/dbraw/zinc/72/11/04/369721104.db2.gz PJLNBSXNFZOWQL-UHFFFAOYSA-N 2 2 298.412 0.477 20 0 CCADLP C[N@@H+](CCOCC[NH3+])CC(=O)Nc1nc2c(s1)CCC2 ZINC000629578242 369721110 /nfs/dbraw/zinc/72/11/10/369721110.db2.gz PJLNBSXNFZOWQL-UHFFFAOYSA-N 2 2 298.412 0.477 20 0 CCADLP CN1CCC[C@H]1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000629551260 369702597 /nfs/dbraw/zinc/70/25/97/369702597.db2.gz SSIOWRSXIRSLIO-MELADBBJSA-N 2 2 253.390 0.437 20 0 CCADLP CC[N@H+](CC[NH3+])CCn1cnc2ccccc2c1=O ZINC000629556545 369706321 /nfs/dbraw/zinc/70/63/21/369706321.db2.gz LGEWNXHOVHEJAC-UHFFFAOYSA-N 2 2 260.341 0.677 20 0 CCADLP CC[N@@H+](CC[NH3+])CCn1cnc2ccccc2c1=O ZINC000629556545 369706324 /nfs/dbraw/zinc/70/63/24/369706324.db2.gz LGEWNXHOVHEJAC-UHFFFAOYSA-N 2 2 260.341 0.677 20 0 CCADLP CN(CC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)CC(F)F ZINC000629556640 369706673 /nfs/dbraw/zinc/70/66/73/369706673.db2.gz VWBHELKLVLIPRF-DGCLKSJQSA-N 2 2 277.359 0.540 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000276574877 193386355 /nfs/dbraw/zinc/38/63/55/193386355.db2.gz KVLIYMKFQWZXCY-OOPCZODUSA-N 2 2 278.356 0.338 20 0 CCADLP COCc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)o1 ZINC000629649533 369747948 /nfs/dbraw/zinc/74/79/48/369747948.db2.gz VDYGOMOPCOIORJ-ZDUSSCGKSA-N 2 2 254.330 0.894 20 0 CCADLP Cn1cnc2cc(C[NH2+]Cc3nc(C[NH3+])cc(=O)[nH]3)ccc21 ZINC000629653109 369749376 /nfs/dbraw/zinc/74/93/76/369749376.db2.gz NJRKQWCOVKIMHR-UHFFFAOYSA-N 2 2 298.350 0.817 20 0 CCADLP C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCC1 ZINC000630003018 369886034 /nfs/dbraw/zinc/88/60/34/369886034.db2.gz RXIMKVSNHBMBQB-GHMZBOCLSA-N 2 2 262.357 0.782 20 0 CCADLP c1nc(NC[C@@H]2COCC[NH2+]2)cc(N2CCCCC2)[nH+]1 ZINC000630532452 370150984 /nfs/dbraw/zinc/15/09/84/370150984.db2.gz JQJTVKBUZFYSTC-GFCCVEGCSA-N 2 2 277.372 0.867 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000630548464 370162702 /nfs/dbraw/zinc/16/27/02/370162702.db2.gz BZEYHCWUJACAST-UHFFFAOYSA-N 2 2 290.371 0.450 20 0 CCADLP Fc1ccc(C[NH2+]Cc2cn(CC3C[NH2+]C3)nn2)cc1 ZINC000630615541 370210977 /nfs/dbraw/zinc/21/09/77/370210977.db2.gz ZGKRJUXQIKHGFT-UHFFFAOYSA-N 2 2 275.331 0.926 20 0 CCADLP CC[NH+](CC)Cc1cn(CCN2CC[NH+](C)CC2)nn1 ZINC000630586105 370188244 /nfs/dbraw/zinc/18/82/44/370188244.db2.gz SKDFTTXEQKLJFS-UHFFFAOYSA-N 2 2 280.420 0.367 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCc2[nH+]ccn2C)CC[N@@H+]1C ZINC000630923122 370321394 /nfs/dbraw/zinc/32/13/94/370321394.db2.gz SCSAOFHCKQXAMA-WDEREUQCSA-N 2 2 250.346 0.767 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCc2[nH+]ccn2C)CC[N@H+]1C ZINC000630923122 370321397 /nfs/dbraw/zinc/32/13/97/370321397.db2.gz SCSAOFHCKQXAMA-WDEREUQCSA-N 2 2 250.346 0.767 20 0 CCADLP Cc1nc(NCCC[N@@H+]2CCc3ccccc3C2)nc(N)[nH+]1 ZINC000631057126 370371722 /nfs/dbraw/zinc/37/17/22/370371722.db2.gz XPWSKYSUVWQKRV-UHFFFAOYSA-N 2 2 298.394 0.875 20 0 CCADLP Cc1nc(NCCC[N@H+]2CCc3ccccc3C2)nc(N)[nH+]1 ZINC000631057126 370371727 /nfs/dbraw/zinc/37/17/27/370371727.db2.gz XPWSKYSUVWQKRV-UHFFFAOYSA-N 2 2 298.394 0.875 20 0 CCADLP Cc1nc(N)nc(NCCC[N@@H+]2CCc3ccccc3C2)[nH+]1 ZINC000631057126 370371732 /nfs/dbraw/zinc/37/17/32/370371732.db2.gz XPWSKYSUVWQKRV-UHFFFAOYSA-N 2 2 298.394 0.875 20 0 CCADLP Cc1nc(N)nc(NCCC[N@H+]2CCc3ccccc3C2)[nH+]1 ZINC000631057126 370371737 /nfs/dbraw/zinc/37/17/37/370371737.db2.gz XPWSKYSUVWQKRV-UHFFFAOYSA-N 2 2 298.394 0.875 20 0 CCADLP C[C@@H](C[NH2+]Cc1ccc(=O)[nH]c1)C[NH+]1CCOCC1 ZINC000631075897 370378437 /nfs/dbraw/zinc/37/84/37/370378437.db2.gz HIOBQHAMJKXKJS-LBPRGKRZSA-N 2 2 265.357 0.845 20 0 CCADLP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)[C@@H](O)C(F)(F)F ZINC000631235820 370433693 /nfs/dbraw/zinc/43/36/93/370433693.db2.gz KIKWDYQCIVIDKU-IONNQARKSA-N 2 2 280.294 0.887 20 0 CCADLP Cc1nc(N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)nc(N)[nH+]1 ZINC000631160811 370406967 /nfs/dbraw/zinc/40/69/67/370406967.db2.gz LXICCLWKVURGIE-WPRPVWTQSA-N 2 2 250.350 0.733 20 0 CCADLP Cc1nc(N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)nc(N)[nH+]1 ZINC000631160811 370406980 /nfs/dbraw/zinc/40/69/80/370406980.db2.gz LXICCLWKVURGIE-WPRPVWTQSA-N 2 2 250.350 0.733 20 0 CCADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000331927193 204302052 /nfs/dbraw/zinc/30/20/52/204302052.db2.gz NDCKQRFEVIFOKF-GASCZTMLSA-N 2 2 273.336 0.718 20 0 CCADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000331927193 204302054 /nfs/dbraw/zinc/30/20/54/204302054.db2.gz NDCKQRFEVIFOKF-GASCZTMLSA-N 2 2 273.336 0.718 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000632896430 371318200 /nfs/dbraw/zinc/31/82/00/371318200.db2.gz AQKJFBAFCMEJIM-UHFFFAOYSA-N 2 2 295.387 0.664 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000633086446 371390477 /nfs/dbraw/zinc/39/04/77/371390477.db2.gz UABRBAQHEOYTPP-NSHDSACASA-N 2 2 265.361 0.893 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000633086446 371390480 /nfs/dbraw/zinc/39/04/80/371390480.db2.gz UABRBAQHEOYTPP-NSHDSACASA-N 2 2 265.361 0.893 20 0 CCADLP Cc1ccc(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)c(C)[nH+]1 ZINC000633043012 371375365 /nfs/dbraw/zinc/37/53/65/371375365.db2.gz XJXLICVANGVDIM-KOLCDFICSA-N 2 2 276.340 0.585 20 0 CCADLP C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C[C@@H]1[NH3+] ZINC000332183714 204514649 /nfs/dbraw/zinc/51/46/49/204514649.db2.gz ZKZUMPGTZPXYJR-UPJWGTAASA-N 2 2 289.383 0.649 20 0 CCADLP C[NH+]1CCC(n2cc(NC(=O)Cn3cc[nH+]c3)cn2)CC1 ZINC000634091499 371892188 /nfs/dbraw/zinc/89/21/88/371892188.db2.gz JHBGHMOWBISIEJ-UHFFFAOYSA-N 2 2 288.355 0.985 20 0 CCADLP CO[C@H](C)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634193834 371944710 /nfs/dbraw/zinc/94/47/10/371944710.db2.gz CZLRSTKMDDRFKX-LLVKDONJSA-N 2 2 278.356 0.807 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC(Cc2ccco2)C1 ZINC000634651409 372125869 /nfs/dbraw/zinc/12/58/69/372125869.db2.gz OASBUJFNNHBIJH-AWEZNQCLSA-N 2 2 282.384 0.693 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC(Cc2ccco2)C1 ZINC000634651409 372125878 /nfs/dbraw/zinc/12/58/78/372125878.db2.gz OASBUJFNNHBIJH-AWEZNQCLSA-N 2 2 282.384 0.693 20 0 CCADLP O=C(N[C@]12CCC[C@@H]1C[NH2+]C2)[C@@H]1CCn2cc[nH+]c2C1 ZINC000634769454 372216958 /nfs/dbraw/zinc/21/69/58/372216958.db2.gz BGOBXYGYHQEOIL-JMSVASOKSA-N 2 2 274.368 0.704 20 0 CCADLP COC(=O)[C@H]1CC12CC[NH+](CC[N@@H+]1CCCOCC1)CC2 ZINC000361294933 284313106 /nfs/dbraw/zinc/31/31/06/284313106.db2.gz BWZNXICXJFRPAU-CQSZACIVSA-N 2 2 296.411 0.984 20 0 CCADLP COC(=O)[C@H]1CC12CC[NH+](CC[N@H+]1CCCOCC1)CC2 ZINC000361294933 284313108 /nfs/dbraw/zinc/31/31/08/284313108.db2.gz BWZNXICXJFRPAU-CQSZACIVSA-N 2 2 296.411 0.984 20 0 CCADLP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]1CCc3[nH+]ccn3C1)C2 ZINC000634741674 372186025 /nfs/dbraw/zinc/18/60/25/372186025.db2.gz LEBIEDYKYAMYRD-WQVCFCJDSA-N 2 2 288.395 0.904 20 0 CCADLP C[C@@H](O)[C@H]1CCN(c2cc(NC[C@H](C)[NH3+])nc[nH+]2)C1 ZINC000634808763 372249630 /nfs/dbraw/zinc/24/96/30/372249630.db2.gz BMPTXIFIKMRXHW-AXFHLTTASA-N 2 2 265.361 0.443 20 0 CCADLP c1cc(N2CC[C@@H](N3CC[NH2+]CC3)C2)nc(C2CC2)[nH+]1 ZINC000634809427 372251332 /nfs/dbraw/zinc/25/13/32/372251332.db2.gz RNVUSANZGXFFNK-CYBMUJFWSA-N 2 2 273.384 0.838 20 0 CCADLP C[C@]1(F)C[NH2+]CCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000634810413 372253764 /nfs/dbraw/zinc/25/37/64/372253764.db2.gz WZGRVLQAPYLEGD-LBPRGKRZSA-N 2 2 267.308 0.419 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CCNC(=O)CC1)C[NH+]1CCOCC1 ZINC000634963524 372315830 /nfs/dbraw/zinc/31/58/30/372315830.db2.gz WADMEVMNXMPKAJ-OLZOCXBDSA-N 2 2 269.389 0.213 20 0 CCADLP C([N@@H+]1CCS[C@H]2COCC[C@H]21)C12CC(C1)C[NH2+]2 ZINC000634993119 372328529 /nfs/dbraw/zinc/32/85/29/372328529.db2.gz LQMADEMKQIDQFA-QBHFIFKDSA-N 2 2 254.399 0.945 20 0 CCADLP C([N@H+]1CCS[C@H]2COCC[C@H]21)C12CC(C1)C[NH2+]2 ZINC000634993119 372328534 /nfs/dbraw/zinc/32/85/34/372328534.db2.gz LQMADEMKQIDQFA-QBHFIFKDSA-N 2 2 254.399 0.945 20 0 CCADLP Cn1ccc(N2CCC[C@H]([NH2+]CC34CC(C3)C[NH2+]4)C2=O)n1 ZINC000634995704 372333520 /nfs/dbraw/zinc/33/35/20/372333520.db2.gz MTUODUALRUNTPV-AVERBVTBSA-N 2 2 289.383 0.257 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC000635312827 372456760 /nfs/dbraw/zinc/45/67/60/372456760.db2.gz GGSVMWAOBWKYOJ-CQSZACIVSA-N 2 2 295.427 0.699 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635327415 372463465 /nfs/dbraw/zinc/46/34/65/372463465.db2.gz VKXVGVNLLLBNJG-RYUDHWBXSA-N 2 2 250.346 0.730 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635327415 372463466 /nfs/dbraw/zinc/46/34/66/372463466.db2.gz VKXVGVNLLLBNJG-RYUDHWBXSA-N 2 2 250.346 0.730 20 0 CCADLP C[C@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)[NH+](C)C ZINC000635412130 372496753 /nfs/dbraw/zinc/49/67/53/372496753.db2.gz ZRIFCFIEQUOOEX-GFCCVEGCSA-N 3 2 291.399 0.722 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C1(C[NH+](C)C)CC1 ZINC000635502223 372566725 /nfs/dbraw/zinc/56/67/25/372566725.db2.gz YAKRJBJOXGJKFD-LBPRGKRZSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C1(C[NH+](C)C)CC1 ZINC000635502223 372566728 /nfs/dbraw/zinc/56/67/28/372566728.db2.gz YAKRJBJOXGJKFD-LBPRGKRZSA-N 2 2 269.389 0.165 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635538154 372601198 /nfs/dbraw/zinc/60/11/98/372601198.db2.gz GIVPAOHVUVCDQT-QJPTWQEYSA-N 2 2 278.356 0.350 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635538154 372601202 /nfs/dbraw/zinc/60/12/02/372601202.db2.gz GIVPAOHVUVCDQT-QJPTWQEYSA-N 2 2 278.356 0.350 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635538154 372601204 /nfs/dbraw/zinc/60/12/04/372601204.db2.gz GIVPAOHVUVCDQT-QJPTWQEYSA-N 2 2 278.356 0.350 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635538154 372601208 /nfs/dbraw/zinc/60/12/08/372601208.db2.gz GIVPAOHVUVCDQT-QJPTWQEYSA-N 2 2 278.356 0.350 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H](C)[NH+]1CCOCC1 ZINC000635505689 372569950 /nfs/dbraw/zinc/56/99/50/372569950.db2.gz BPXZFFQRDJQURV-MCIONIFRSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)[C@@H](C)[NH+]1CCOCC1 ZINC000635505689 372569957 /nfs/dbraw/zinc/56/99/57/372569957.db2.gz BPXZFFQRDJQURV-MCIONIFRSA-N 2 2 283.416 0.696 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)C1(C[NH+](C)C)CC1 ZINC000635480231 372545633 /nfs/dbraw/zinc/54/56/33/372545633.db2.gz YMBBVLSIWHZKPT-UHFFFAOYSA-N 2 2 269.389 0.119 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635559701 372632167 /nfs/dbraw/zinc/63/21/67/372632167.db2.gz VANULFKMTBZXFL-HBNTYKKESA-N 2 2 250.346 0.970 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635559701 372632171 /nfs/dbraw/zinc/63/21/71/372632171.db2.gz VANULFKMTBZXFL-HBNTYKKESA-N 2 2 250.346 0.970 20 0 CCADLP CC(C)N1C[C@@H]([NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)CC1=O ZINC000333288300 205186477 /nfs/dbraw/zinc/18/64/77/205186477.db2.gz NYKBLSPGVFCSMQ-FRRDWIJNSA-N 2 2 269.389 0.352 20 0 CCADLP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](C)CS(C)(=O)=O)C1 ZINC000246676939 284353491 /nfs/dbraw/zinc/35/34/91/284353491.db2.gz XMKVNWDINFTLQW-QWHCGFSZSA-N 2 2 276.446 0.941 20 0 CCADLP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](C)CS(C)(=O)=O)C1 ZINC000246676939 284353493 /nfs/dbraw/zinc/35/34/93/284353493.db2.gz XMKVNWDINFTLQW-QWHCGFSZSA-N 2 2 276.446 0.941 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](C)CS(C)(=O)=O)C1 ZINC000246676939 284353498 /nfs/dbraw/zinc/35/34/98/284353498.db2.gz XMKVNWDINFTLQW-QWHCGFSZSA-N 2 2 276.446 0.941 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](C)CS(C)(=O)=O)C1 ZINC000246676939 284353501 /nfs/dbraw/zinc/35/35/01/284353501.db2.gz XMKVNWDINFTLQW-QWHCGFSZSA-N 2 2 276.446 0.941 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000333302089 205200107 /nfs/dbraw/zinc/20/01/07/205200107.db2.gz MMRJROLFEUWDBS-QWHCGFSZSA-N 2 2 292.383 0.282 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000333302089 205200110 /nfs/dbraw/zinc/20/01/10/205200110.db2.gz MMRJROLFEUWDBS-QWHCGFSZSA-N 2 2 292.383 0.282 20 0 CCADLP CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000333311555 205209150 /nfs/dbraw/zinc/20/91/50/205209150.db2.gz RWSDCIRFNOJDTH-UPJWGTAASA-N 2 2 268.405 0.910 20 0 CCADLP C[C@H](C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1)[NH+](C)C ZINC000635810492 372940944 /nfs/dbraw/zinc/94/09/44/372940944.db2.gz ABFUKMKHVUQWLL-QWHCGFSZSA-N 2 2 270.421 0.079 20 0 CCADLP C[NH+](C)CC1(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000635820517 372955061 /nfs/dbraw/zinc/95/50/61/372955061.db2.gz PDHALGXJZCFAGJ-NSHDSACASA-N 2 2 262.357 0.656 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC000635870028 373026019 /nfs/dbraw/zinc/02/60/19/373026019.db2.gz RCNFFRMIWXSEOT-CYBMUJFWSA-N 2 2 283.416 0.507 20 0 CCADLP [NH3+]Cc1ccc(-n2cc(CC[NH+]3CCOCC3)nn2)cc1 ZINC000656459735 412806041 /nfs/dbraw/zinc/80/60/41/412806041.db2.gz FKMVIHCGGGVLTM-UHFFFAOYSA-N 2 2 287.367 0.601 20 0 CCADLP Cc1nc(N)c(CNC(=O)[C@H]2CC[N@@H+]2C2CCCC2)c[nH+]1 ZINC000635922030 373109608 /nfs/dbraw/zinc/10/96/08/373109608.db2.gz QFUJAKGDKABMHJ-CYBMUJFWSA-N 2 2 289.383 0.831 20 0 CCADLP Cc1nc(N)c(CNC(=O)[C@H]2CC[N@H+]2C2CCCC2)c[nH+]1 ZINC000635922030 373109614 /nfs/dbraw/zinc/10/96/14/373109614.db2.gz QFUJAKGDKABMHJ-CYBMUJFWSA-N 2 2 289.383 0.831 20 0 CCADLP CCc1c[nH]c(CC(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)[nH+]1 ZINC000636036053 373283575 /nfs/dbraw/zinc/28/35/75/373283575.db2.gz XXQJGMNITCKGBF-NWDGAFQWSA-N 2 2 294.399 0.428 20 0 CCADLP CCc1c[nH]c(CC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)[nH+]1 ZINC000636036053 373283579 /nfs/dbraw/zinc/28/35/79/373283579.db2.gz XXQJGMNITCKGBF-NWDGAFQWSA-N 2 2 294.399 0.428 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC000636172012 373429329 /nfs/dbraw/zinc/42/93/29/373429329.db2.gz SIFTYIXIULAZKR-RDBSUJKOSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC000636172012 373429337 /nfs/dbraw/zinc/42/93/37/373429337.db2.gz SIFTYIXIULAZKR-RDBSUJKOSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[NH+]1CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000636172012 373429342 /nfs/dbraw/zinc/42/93/42/373429342.db2.gz SIFTYIXIULAZKR-RDBSUJKOSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[NH+]1CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000636172012 373429351 /nfs/dbraw/zinc/42/93/51/373429351.db2.gz SIFTYIXIULAZKR-RDBSUJKOSA-N 2 2 283.416 0.696 20 0 CCADLP CCC(C)(C)[C@@H](O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000636172566 373429703 /nfs/dbraw/zinc/42/97/03/373429703.db2.gz YEBZRNLNXJRSFX-ZDUSSCGKSA-N 2 2 287.448 0.783 20 0 CCADLP CCC(C)(C)[C@@H](O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000636172566 373429708 /nfs/dbraw/zinc/42/97/08/373429708.db2.gz YEBZRNLNXJRSFX-ZDUSSCGKSA-N 2 2 287.448 0.783 20 0 CCADLP C[C@@H]1CCC[N@H+](CCNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000636555203 373638913 /nfs/dbraw/zinc/63/89/13/373638913.db2.gz NHBRGGCOFUJBML-CHWSQXEVSA-N 2 2 291.399 0.839 20 0 CCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000636555203 373638919 /nfs/dbraw/zinc/63/89/19/373638919.db2.gz NHBRGGCOFUJBML-CHWSQXEVSA-N 2 2 291.399 0.839 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000636908156 373814575 /nfs/dbraw/zinc/81/45/75/373814575.db2.gz CBGRLTMIWGYBTL-BFHYXJOUSA-N 2 2 283.416 0.506 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000636908156 373814589 /nfs/dbraw/zinc/81/45/89/373814589.db2.gz CBGRLTMIWGYBTL-BFHYXJOUSA-N 2 2 283.416 0.506 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000636908156 373814596 /nfs/dbraw/zinc/81/45/96/373814596.db2.gz CBGRLTMIWGYBTL-BFHYXJOUSA-N 2 2 283.416 0.506 20 0 CCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000636921037 373822615 /nfs/dbraw/zinc/82/26/15/373822615.db2.gz FQXNVMZICGDILO-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000636921037 373822622 /nfs/dbraw/zinc/82/26/22/373822622.db2.gz FQXNVMZICGDILO-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)C1=CC[N@@H+](C)CC1 ZINC000637033951 373889894 /nfs/dbraw/zinc/88/98/94/373889894.db2.gz NQMSEPLLWWSIKX-AAEUAGOBSA-N 2 2 289.383 0.757 20 0 CCADLP CC(C)[N@@H+]1CCCN(C(=O)NC[C@@H]2COCC[NH+]2C)CC1 ZINC000637448107 374174698 /nfs/dbraw/zinc/17/46/98/374174698.db2.gz UGTUCZOGFIZCRI-CQSZACIVSA-N 2 2 298.431 0.443 20 0 CCADLP CC(C)[N@H+]1CCCN(C(=O)NC[C@@H]2COCC[NH+]2C)CC1 ZINC000637448107 374174703 /nfs/dbraw/zinc/17/47/03/374174703.db2.gz UGTUCZOGFIZCRI-CQSZACIVSA-N 2 2 298.431 0.443 20 0 CCADLP CC(C)[NH+]1CCCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000637448107 374174707 /nfs/dbraw/zinc/17/47/07/374174707.db2.gz UGTUCZOGFIZCRI-CQSZACIVSA-N 2 2 298.431 0.443 20 0 CCADLP CC(C)[NH+]1CCCN(C(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000637448107 374174714 /nfs/dbraw/zinc/17/47/14/374174714.db2.gz UGTUCZOGFIZCRI-CQSZACIVSA-N 2 2 298.431 0.443 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@H]1CCCO1 ZINC000656543935 412820515 /nfs/dbraw/zinc/82/05/15/412820515.db2.gz HWBCKRPSMVOTIF-CYBMUJFWSA-N 2 2 286.420 0.348 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@H]1CCCO1 ZINC000656543935 412820519 /nfs/dbraw/zinc/82/05/19/412820519.db2.gz HWBCKRPSMVOTIF-CYBMUJFWSA-N 2 2 286.420 0.348 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000637819987 374355951 /nfs/dbraw/zinc/35/59/51/374355951.db2.gz LEKZMBPXSYJZBS-ONGXEEELSA-N 2 2 250.346 0.765 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000637819987 374355960 /nfs/dbraw/zinc/35/59/60/374355960.db2.gz LEKZMBPXSYJZBS-ONGXEEELSA-N 2 2 250.346 0.765 20 0 CCADLP CC[NH+]1CCN(CC(C)(C)[NH+]2CCOCC2)CC1 ZINC000637830793 374372468 /nfs/dbraw/zinc/37/24/68/374372468.db2.gz FZZHCCFRLPUYLT-UHFFFAOYSA-N 2 2 255.406 0.735 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N(C)[C@H](C)C[NH3+])CC2 ZINC000637843816 374395206 /nfs/dbraw/zinc/39/52/06/374395206.db2.gz ZTKYONCYQDZWBW-GHMZBOCLSA-N 2 2 250.346 0.560 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N(C)[C@H](C)C[NH3+])CC2 ZINC000637843817 374396190 /nfs/dbraw/zinc/39/61/90/374396190.db2.gz ZTKYONCYQDZWBW-MNOVXSKESA-N 2 2 250.346 0.560 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@H]2CCCC23CC3)[C@H](C[NH3+])C1 ZINC000637863307 374423791 /nfs/dbraw/zinc/42/37/91/374423791.db2.gz AGRCSGSOIVPFJW-VXGBXAGGSA-N 2 2 251.374 0.668 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]2CCCC23CC3)[C@H](C[NH3+])C1 ZINC000637863307 374423793 /nfs/dbraw/zinc/42/37/93/374423793.db2.gz AGRCSGSOIVPFJW-VXGBXAGGSA-N 2 2 251.374 0.668 20 0 CCADLP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000334183964 206159502 /nfs/dbraw/zinc/15/95/02/206159502.db2.gz FRTQFBJAJPRGHG-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000638051691 374593530 /nfs/dbraw/zinc/59/35/30/374593530.db2.gz OOIZGNYRNKRHSN-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@]1(C(=O)NCCCCn2cc[nH+]c2)C[NH2+]CCO1 ZINC000638075231 374631438 /nfs/dbraw/zinc/63/14/38/374631438.db2.gz HFWKACQHMJZMBQ-ZDUSSCGKSA-N 2 2 266.345 0.158 20 0 CCADLP CC[NH+](CC)CCCCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638066875 374612873 /nfs/dbraw/zinc/61/28/73/374612873.db2.gz NNIQTOYULGVTOQ-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP C[C@]1(C(=O)N2CCC(n3cc[nH+]c3)CC2)C[NH2+]CCO1 ZINC000638089250 374648189 /nfs/dbraw/zinc/64/81/89/374648189.db2.gz USUZCJOSSGQACZ-CQSZACIVSA-N 2 2 278.356 0.425 20 0 CCADLP C[C@@]1(C(=O)Nc2ccc3[nH+]ccn3c2)C[NH2+]CCO1 ZINC000638117113 374684552 /nfs/dbraw/zinc/68/45/52/374684552.db2.gz RTOFYYPLIGHYNK-ZDUSSCGKSA-N 2 2 260.297 0.651 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000638163762 374741468 /nfs/dbraw/zinc/74/14/68/374741468.db2.gz HOPGQKXMDMTOQT-SRVKXCTJSA-N 2 2 262.357 0.846 20 0 CCADLP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000638223513 374809939 /nfs/dbraw/zinc/80/99/39/374809939.db2.gz CCVIUSBFHURVML-UKKRHICBSA-N 2 2 266.320 0.672 20 0 CCADLP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000638223513 374809943 /nfs/dbraw/zinc/80/99/43/374809943.db2.gz CCVIUSBFHURVML-UKKRHICBSA-N 2 2 266.320 0.672 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)[nH+]1 ZINC000638201723 374782935 /nfs/dbraw/zinc/78/29/35/374782935.db2.gz XEMPKLMCUOEFFM-GXSJLCMTSA-N 2 2 250.346 0.901 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)[nH+]1 ZINC000638203676 374788821 /nfs/dbraw/zinc/78/88/21/374788821.db2.gz NJVFKQTYBWYNHT-ONGXEEELSA-N 2 2 250.346 0.629 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)[nH+]1 ZINC000638203675 374789024 /nfs/dbraw/zinc/78/90/24/374789024.db2.gz NJVFKQTYBWYNHT-MWLCHTKSSA-N 2 2 250.346 0.629 20 0 CCADLP C[NH+](C)[C@@H](CNCc1c[nH+]c(N)nc1N)C1CCCCC1 ZINC000638373661 374969322 /nfs/dbraw/zinc/96/93/22/374969322.db2.gz HKTQGSLASKCLMI-ZDUSSCGKSA-N 2 2 292.431 0.902 20 0 CCADLP [NH3+]Cc1ncc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)cn1 ZINC000638344108 374943790 /nfs/dbraw/zinc/94/37/90/374943790.db2.gz UBKJKQUOYBUOLP-AWEZNQCLSA-N 2 2 297.362 0.722 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638301190 374907238 /nfs/dbraw/zinc/90/72/38/374907238.db2.gz MFIHJBSAIUGSJV-CYBMUJFWSA-N 2 2 266.345 0.110 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000638382054 374978748 /nfs/dbraw/zinc/97/87/48/374978748.db2.gz RSQWYTHKJPHOQM-UHFFFAOYSA-N 2 2 262.357 0.991 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000638386177 374979509 /nfs/dbraw/zinc/97/95/09/374979509.db2.gz ZHBQKSUTBZCRGH-FZMZJTMJSA-N 2 2 262.357 0.848 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638409774 375006826 /nfs/dbraw/zinc/00/68/26/375006826.db2.gz ROVPXWBAVLAOPD-ZDUSSCGKSA-N 3 2 268.405 0.034 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638409774 375006832 /nfs/dbraw/zinc/00/68/32/375006832.db2.gz ROVPXWBAVLAOPD-ZDUSSCGKSA-N 3 2 268.405 0.034 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638425923 375022574 /nfs/dbraw/zinc/02/25/74/375022574.db2.gz ILYPXXCNDBPHKZ-MISXGVKJSA-N 2 2 280.372 0.847 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000638490669 375083834 /nfs/dbraw/zinc/08/38/34/375083834.db2.gz BUFFAEYQJFFJDO-LBPRGKRZSA-N 2 2 250.346 0.717 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@]1(OC)CCOC1 ZINC000638510852 375101435 /nfs/dbraw/zinc/10/14/35/375101435.db2.gz UACWVUHQWWRKGW-KGLIPLIRSA-N 2 2 272.389 0.492 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@]1(OC)CCOC1 ZINC000638510852 375101441 /nfs/dbraw/zinc/10/14/41/375101441.db2.gz UACWVUHQWWRKGW-KGLIPLIRSA-N 2 2 272.389 0.492 20 0 CCADLP CCC[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)OCC ZINC000638456285 375060202 /nfs/dbraw/zinc/06/02/02/375060202.db2.gz BTTZFCJWBIDULU-RYUDHWBXSA-N 2 2 259.394 0.587 20 0 CCADLP Cc1cc(NCCNC(=O)CC[C@@H](C)[NH3+])nc(C(C)C)[nH+]1 ZINC000638584801 375165896 /nfs/dbraw/zinc/16/58/96/375165896.db2.gz XYIYQPXYRFXNCR-LLVKDONJSA-N 2 2 293.415 0.986 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1cccc(F)c1N ZINC000638597525 375178539 /nfs/dbraw/zinc/17/85/39/375178539.db2.gz YUOOVDPNEGCVMW-LBPRGKRZSA-N 2 2 266.364 0.743 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1cccc(F)c1N ZINC000638597525 375178542 /nfs/dbraw/zinc/17/85/42/375178542.db2.gz YUOOVDPNEGCVMW-LBPRGKRZSA-N 2 2 266.364 0.743 20 0 CCADLP C[C@@H]1CC(F)(F)CCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000638630899 375235128 /nfs/dbraw/zinc/23/51/28/375235128.db2.gz OVBJNTXCPHVYHW-NXEZZACHSA-N 2 2 263.332 0.912 20 0 CCADLP COCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C[C@@H]2CCCC(=O)N2)C1 ZINC000638638110 375242245 /nfs/dbraw/zinc/24/22/45/375242245.db2.gz ZOSAXRLDRWTSNA-RDBSUJKOSA-N 2 2 283.416 0.744 20 0 CCADLP COCC[N@H+]1CC[C@H]([NH2+][C@H](C)C[C@@H]2CCCC(=O)N2)C1 ZINC000638638110 375242250 /nfs/dbraw/zinc/24/22/50/375242250.db2.gz ZOSAXRLDRWTSNA-RDBSUJKOSA-N 2 2 283.416 0.744 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1COCC[N@@H+]1C)[C@@H]([NH3+])c1ccccc1 ZINC000638611651 375191668 /nfs/dbraw/zinc/19/16/68/375191668.db2.gz OZRQXFONWNZQHV-NWANDNLSSA-N 2 2 291.395 0.769 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1COCC[N@H+]1C)[C@@H]([NH3+])c1ccccc1 ZINC000638611651 375191672 /nfs/dbraw/zinc/19/16/72/375191672.db2.gz OZRQXFONWNZQHV-NWANDNLSSA-N 2 2 291.395 0.769 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)CCC1CC[NH2+]CC1 ZINC000638610825 375191798 /nfs/dbraw/zinc/19/17/98/375191798.db2.gz KZHHNLKVNLRVCP-CYBMUJFWSA-N 2 2 269.389 0.213 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)CCC1CC[NH2+]CC1 ZINC000638610825 375191802 /nfs/dbraw/zinc/19/18/02/375191802.db2.gz KZHHNLKVNLRVCP-CYBMUJFWSA-N 2 2 269.389 0.213 20 0 CCADLP CC(C)CC[C@H]([NH3+])C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638611326 375192239 /nfs/dbraw/zinc/19/22/39/375192239.db2.gz OFEFFXUYVJNRLC-NEPJUHHUSA-N 2 2 257.378 0.197 20 0 CCADLP CC(C)CC[C@H]([NH3+])C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638611326 375192245 /nfs/dbraw/zinc/19/22/45/375192245.db2.gz OFEFFXUYVJNRLC-NEPJUHHUSA-N 2 2 257.378 0.197 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000638612066 375194240 /nfs/dbraw/zinc/19/42/40/375194240.db2.gz SFLKBEJMGMCCPV-QWHCGFSZSA-N 2 2 263.341 0.133 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000638612066 375194247 /nfs/dbraw/zinc/19/42/47/375194247.db2.gz SFLKBEJMGMCCPV-QWHCGFSZSA-N 2 2 263.341 0.133 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000638611675 375194405 /nfs/dbraw/zinc/19/44/05/375194405.db2.gz PNBIVDUXZYXGQA-FQUUOJAGSA-N 2 2 281.400 0.354 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000638611675 375194415 /nfs/dbraw/zinc/19/44/15/375194415.db2.gz PNBIVDUXZYXGQA-FQUUOJAGSA-N 2 2 281.400 0.354 20 0 CCADLP C[C@H](CC(=O)NC[C@H]1COCC[N@@H+]1C)[C@@H]1CCC[NH2+]C1 ZINC000638612075 375194772 /nfs/dbraw/zinc/19/47/72/375194772.db2.gz SFYZRKAYSXHSGR-MCIONIFRSA-N 2 2 283.416 0.459 20 0 CCADLP C[C@H](CC(=O)NC[C@H]1COCC[N@H+]1C)[C@@H]1CCC[NH2+]C1 ZINC000638612075 375194778 /nfs/dbraw/zinc/19/47/78/375194778.db2.gz SFYZRKAYSXHSGR-MCIONIFRSA-N 2 2 283.416 0.459 20 0 CCADLP C[C@H](NC(=O)CC[NH2+]C1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000568663264 291614112 /nfs/dbraw/zinc/61/41/12/291614112.db2.gz XLRMINRXAPMIDG-RYUDHWBXSA-N 2 2 269.389 0.354 20 0 CCADLP C[C@@H]([NH3+])CC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000638731310 375325175 /nfs/dbraw/zinc/32/51/75/375325175.db2.gz NINGMIPDVXFRSV-TZMCWYRMSA-N 2 2 292.383 0.136 20 0 CCADLP C[C@@H]([NH3+])CC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000638731310 375325180 /nfs/dbraw/zinc/32/51/80/375325180.db2.gz NINGMIPDVXFRSV-TZMCWYRMSA-N 2 2 292.383 0.136 20 0 CCADLP C[C@@H]1[C@H](C(F)(F)F)OCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000638695514 375301190 /nfs/dbraw/zinc/30/11/90/375301190.db2.gz QUHQSXKCVDKOOQ-OPRDCNLKSA-N 2 2 297.321 0.444 20 0 CCADLP Cc1cc(O)cc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000638756104 375337546 /nfs/dbraw/zinc/33/75/46/375337546.db2.gz FQFUJOQDOZBRFG-GFCCVEGCSA-N 2 2 251.330 0.918 20 0 CCADLP CC(C)(O)C[NH+]1CCC(NCC[NH+]2CCC2)CC1 ZINC000638788043 375356918 /nfs/dbraw/zinc/35/69/18/375356918.db2.gz OUUNHMIKNANWKE-UHFFFAOYSA-N 2 2 255.406 0.517 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)ccn12 ZINC000638918147 375455267 /nfs/dbraw/zinc/45/52/67/375455267.db2.gz XVQPPVOMCUFPBD-RYUDHWBXSA-N 2 2 256.309 0.829 20 0 CCADLP CO[C@]1(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)CCOC1 ZINC000638917878 375455380 /nfs/dbraw/zinc/45/53/80/375455380.db2.gz JUGTVJGADLUUIY-RDBSUJKOSA-N 2 2 254.374 0.818 20 0 CCADLP CO[C@]1(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)CCOC1 ZINC000638917878 375455385 /nfs/dbraw/zinc/45/53/85/375455385.db2.gz JUGTVJGADLUUIY-RDBSUJKOSA-N 2 2 254.374 0.818 20 0 CCADLP CO[C@]1(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)CCOC1 ZINC000638917878 375455390 /nfs/dbraw/zinc/45/53/90/375455390.db2.gz JUGTVJGADLUUIY-RDBSUJKOSA-N 2 2 254.374 0.818 20 0 CCADLP CO[C@]1(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CCOC1 ZINC000638917878 375455395 /nfs/dbraw/zinc/45/53/95/375455395.db2.gz JUGTVJGADLUUIY-RDBSUJKOSA-N 2 2 254.374 0.818 20 0 CCADLP C[C@@H](O)CNc1cc(N2CC3CC2(C[NH3+])C3)nc[nH+]1 ZINC000656610612 412835354 /nfs/dbraw/zinc/83/53/54/412835354.db2.gz GTPTWYHBKXTAPH-TTXORMCVSA-N 2 2 263.345 0.197 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@@H]2CSC[NH2+]2)CC[N@@H+]1C ZINC000639018504 375523433 /nfs/dbraw/zinc/52/34/33/375523433.db2.gz MFFIWCKMBHPTMM-WDEREUQCSA-N 2 2 257.403 0.448 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@@H]2CSC[NH2+]2)CC[N@H+]1C ZINC000639018504 375523437 /nfs/dbraw/zinc/52/34/37/375523437.db2.gz MFFIWCKMBHPTMM-WDEREUQCSA-N 2 2 257.403 0.448 20 0 CCADLP C[N@H+](Cc1cnc(N)nc1N)C[C@H]1CCn2cc[nH+]c2C1 ZINC000639180331 375622693 /nfs/dbraw/zinc/62/26/93/375622693.db2.gz XUKFLYGZJVVDNZ-JTQLQIEISA-N 2 2 287.371 0.193 20 0 CCADLP O=C1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)CCCN1 ZINC000639219364 375642799 /nfs/dbraw/zinc/64/27/99/375642799.db2.gz SWEMKEZAALUOCM-STQMWFEESA-N 2 2 269.389 0.092 20 0 CCADLP O=C1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)CCCN1 ZINC000639219364 375642805 /nfs/dbraw/zinc/64/28/05/375642805.db2.gz SWEMKEZAALUOCM-STQMWFEESA-N 2 2 269.389 0.092 20 0 CCADLP OCCC[N@@H+]1CCC[C@@H]([NH2+]CCC[C@@H]2CCO2)C1 ZINC000639220487 375645358 /nfs/dbraw/zinc/64/53/58/375645358.db2.gz ZERJLDOZYDUWNQ-ZIAGYGMSSA-N 2 2 256.390 0.992 20 0 CCADLP OCCC[N@H+]1CCC[C@@H]([NH2+]CCC[C@@H]2CCO2)C1 ZINC000639220487 375645366 /nfs/dbraw/zinc/64/53/66/375645366.db2.gz ZERJLDOZYDUWNQ-ZIAGYGMSSA-N 2 2 256.390 0.992 20 0 CCADLP CCC[C@H](C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1)OC ZINC000639291374 375702805 /nfs/dbraw/zinc/70/28/05/375702805.db2.gz YBVRQISWHVHQRV-CYBMUJFWSA-N 2 2 271.405 0.507 20 0 CCADLP CCC[C@H](C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1)OC ZINC000639291374 375702809 /nfs/dbraw/zinc/70/28/09/375702809.db2.gz YBVRQISWHVHQRV-CYBMUJFWSA-N 2 2 271.405 0.507 20 0 CCADLP CC[C@@](C)(C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)OC ZINC000639350429 375749943 /nfs/dbraw/zinc/74/99/43/375749943.db2.gz XQCMBJHVPHQBSQ-JSGCOSHPSA-N 2 2 271.405 0.731 20 0 CCADLP CC[C@@](C)(C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)OC ZINC000639350429 375749951 /nfs/dbraw/zinc/74/99/51/375749951.db2.gz XQCMBJHVPHQBSQ-JSGCOSHPSA-N 2 2 271.405 0.731 20 0 CCADLP C[C@@]12C[NH+](Cc3cccc4[nH+]ccn43)C[C@@]1(C)C(=O)NC2=O ZINC000639367626 375763567 /nfs/dbraw/zinc/76/35/67/375763567.db2.gz KYSVLUYEPOBKCQ-HOTGVXAUSA-N 2 2 298.346 0.819 20 0 CCADLP c1c[nH+]c(N2CC[NH+](CCc3cnccn3)CC2)[nH]1 ZINC000639627161 375870843 /nfs/dbraw/zinc/87/08/43/375870843.db2.gz ODNBYVUIXCOUEE-UHFFFAOYSA-N 2 2 258.329 0.564 20 0 CCADLP Cn1ncc(C2CC2)c1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000656711203 412846220 /nfs/dbraw/zinc/84/62/20/412846220.db2.gz RBUAMHARAIKFPQ-ZDUSSCGKSA-N 2 2 278.400 0.844 20 0 CCADLP C[C@@H](C[NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000261588484 190041008 /nfs/dbraw/zinc/04/10/08/190041008.db2.gz KFXVUTAJAKTSBZ-DZGCQCFKSA-N 2 2 291.395 0.598 20 0 CCADLP C[C@@H](C[NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000261588484 190041009 /nfs/dbraw/zinc/04/10/09/190041009.db2.gz KFXVUTAJAKTSBZ-DZGCQCFKSA-N 2 2 291.395 0.598 20 0 CCADLP COc1cc[nH+]c(CN2CCC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000639763932 375993577 /nfs/dbraw/zinc/99/35/77/375993577.db2.gz UHPZTMNVYAWOMO-OAHLLOKOSA-N 2 2 279.384 0.979 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCC(=O)N2CCCCC2)C1 ZINC000639765943 375996367 /nfs/dbraw/zinc/99/63/67/375996367.db2.gz KLRWOVLDLZQAPC-INIZCTEOSA-N 2 2 297.443 0.778 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCC(=O)N2CCCCC2)C1 ZINC000639765943 375996371 /nfs/dbraw/zinc/99/63/71/375996371.db2.gz KLRWOVLDLZQAPC-INIZCTEOSA-N 2 2 297.443 0.778 20 0 CCADLP CCCNC(=O)[C@H](C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639767622 375997382 /nfs/dbraw/zinc/99/73/82/375997382.db2.gz VQACCTHYWMHINQ-JSGCOSHPSA-N 2 2 271.405 0.290 20 0 CCADLP CCCNC(=O)[C@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639767622 375997388 /nfs/dbraw/zinc/99/73/88/375997388.db2.gz VQACCTHYWMHINQ-JSGCOSHPSA-N 2 2 271.405 0.290 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC=C(c2cnn(C)c2)C1 ZINC000639796240 376014402 /nfs/dbraw/zinc/01/44/02/376014402.db2.gz QNYHMWVFDCFFBV-OAHLLOKOSA-N 2 2 278.400 0.822 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC=C(c2cnn(C)c2)C1 ZINC000639796240 376014407 /nfs/dbraw/zinc/01/44/07/376014407.db2.gz QNYHMWVFDCFFBV-OAHLLOKOSA-N 2 2 278.400 0.822 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000639796240 376014415 /nfs/dbraw/zinc/01/44/15/376014415.db2.gz QNYHMWVFDCFFBV-OAHLLOKOSA-N 2 2 278.400 0.822 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000639796240 376014420 /nfs/dbraw/zinc/01/44/20/376014420.db2.gz QNYHMWVFDCFFBV-OAHLLOKOSA-N 2 2 278.400 0.822 20 0 CCADLP C[NH+]1CCC2(CC[N@H+](Cc3n[nH]c(=O)[nH]3)C2)CC1 ZINC000639758526 375982003 /nfs/dbraw/zinc/98/20/03/375982003.db2.gz WFNAOCSZJQOFFF-UHFFFAOYSA-N 2 2 251.334 0.428 20 0 CCADLP C[NH+]1CCC2(CC[N@@H+](Cc3n[nH]c(=O)[nH]3)C2)CC1 ZINC000639758526 375982011 /nfs/dbraw/zinc/98/20/11/375982011.db2.gz WFNAOCSZJQOFFF-UHFFFAOYSA-N 2 2 251.334 0.428 20 0 CCADLP C[C@@H](c1cnccn1)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761692 375988534 /nfs/dbraw/zinc/98/85/34/375988534.db2.gz CZMOJRIHOBBBBB-GXTWGEPZSA-N 2 2 264.373 0.926 20 0 CCADLP C[C@@H](c1cnccn1)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761692 375988539 /nfs/dbraw/zinc/98/85/39/375988539.db2.gz CZMOJRIHOBBBBB-GXTWGEPZSA-N 2 2 264.373 0.926 20 0 CCADLP CC(C)N1CCC[C@H]([N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)C1=O ZINC000639761898 375989075 /nfs/dbraw/zinc/98/90/75/375989075.db2.gz PBCRDOXDRXSSDR-HOCLYGCPSA-N 2 2 297.443 0.774 20 0 CCADLP CC(C)N1CCC[C@H]([N@H+]2CCC[C@](O)(C[NH+](C)C)C2)C1=O ZINC000639761898 375989080 /nfs/dbraw/zinc/98/90/80/375989080.db2.gz PBCRDOXDRXSSDR-HOCLYGCPSA-N 2 2 297.443 0.774 20 0 CCADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000262090948 190048177 /nfs/dbraw/zinc/04/81/77/190048177.db2.gz CYVCSSAQXYPODH-UTUOFQBUSA-N 2 2 278.356 0.493 20 0 CCADLP O=C(NC1CC[NH2+]CC1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000262199545 190050672 /nfs/dbraw/zinc/05/06/72/190050672.db2.gz UTBGHRHSFLEIRU-UHFFFAOYSA-N 2 2 271.324 0.749 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000640381986 376346619 /nfs/dbraw/zinc/34/66/19/376346619.db2.gz FLMVOJXYIGUUQH-INIZCTEOSA-N 2 2 297.443 0.552 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCCn2nccc21 ZINC000640219954 376286145 /nfs/dbraw/zinc/28/61/45/376286145.db2.gz IYWCQNKYKGHUEX-QWHCGFSZSA-N 2 2 282.388 0.247 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCCn2nccc21 ZINC000640219954 376286152 /nfs/dbraw/zinc/28/61/52/376286152.db2.gz IYWCQNKYKGHUEX-QWHCGFSZSA-N 2 2 282.388 0.247 20 0 CCADLP O=C(NCC1C[NH2+]C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000640255699 376293973 /nfs/dbraw/zinc/29/39/73/376293973.db2.gz ZFGCTSSRAWAVTH-UHFFFAOYSA-N 2 2 294.424 0.795 20 0 CCADLP CN(C)c1cc(NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc[nH+]1 ZINC000640598698 376450968 /nfs/dbraw/zinc/45/09/68/376450968.db2.gz RNNUZRXQDPGKKH-GFCCVEGCSA-N 2 2 293.371 0.336 20 0 CCADLP CN(C)c1cc(NC(=O)NCC[N@H+]2CC[C@@H](O)C2)cc[nH+]1 ZINC000640598698 376450975 /nfs/dbraw/zinc/45/09/75/376450975.db2.gz RNNUZRXQDPGKKH-GFCCVEGCSA-N 2 2 293.371 0.336 20 0 CCADLP COCC[N@H+](C)CCNC(=O)NCCCn1cc[nH+]c1 ZINC000263785418 190078469 /nfs/dbraw/zinc/07/84/69/190078469.db2.gz PLPKYAWISVKJJD-UHFFFAOYSA-N 2 2 283.376 0.151 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)NCCCn1cc[nH+]c1 ZINC000263785418 190078470 /nfs/dbraw/zinc/07/84/70/190078470.db2.gz PLPKYAWISVKJJD-UHFFFAOYSA-N 2 2 283.376 0.151 20 0 CCADLP C[NH+]1CCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000334284285 206307822 /nfs/dbraw/zinc/30/78/22/206307822.db2.gz BDUVRBLYONSWKL-UHFFFAOYSA-N 2 2 291.399 0.719 20 0 CCADLP CC[NH2+]Cc1ccn(Cc2cn(Cc3[nH]cc[nH+]3)nn2)n1 ZINC000640754519 376520064 /nfs/dbraw/zinc/52/00/64/376520064.db2.gz KEBPEHGJEFRKAC-UHFFFAOYSA-N 2 2 286.343 0.404 20 0 CCADLP [NH3+]CCOCc1cn(Cc2ccc(-n3cc[nH+]c3)cc2)nn1 ZINC000640880237 376594844 /nfs/dbraw/zinc/59/48/44/376594844.db2.gz JFXGUPAGUPEXLE-UHFFFAOYSA-N 2 2 298.350 0.987 20 0 CCADLP [NH3+][C@@H](c1cn(CC[NH+]2CCOCC2)nn1)c1ccccc1 ZINC000641032269 376688919 /nfs/dbraw/zinc/68/89/19/376688919.db2.gz CJWQXGFBVYLIFT-OAHLLOKOSA-N 2 2 287.367 0.658 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)CC1(C[NH3+])CC1 ZINC000569119160 291652485 /nfs/dbraw/zinc/65/24/85/291652485.db2.gz ZQVBUIRGSRCPQP-UHFFFAOYSA-N 2 2 250.346 0.861 20 0 CCADLP Cc1[nH]c(Cn2cc(C[N@@H+]3CCC[C@H]3CO)nn2)[nH+]c1C ZINC000641157295 376820902 /nfs/dbraw/zinc/82/09/02/376820902.db2.gz WCHMFIXLNRTRCF-ZDUSSCGKSA-N 2 2 290.371 0.623 20 0 CCADLP Cc1[nH]c(Cn2cc(C[N@H+]3CCC[C@H]3CO)nn2)[nH+]c1C ZINC000641157295 376820911 /nfs/dbraw/zinc/82/09/11/376820911.db2.gz WCHMFIXLNRTRCF-ZDUSSCGKSA-N 2 2 290.371 0.623 20 0 CCADLP Cn1c[nH+]cc1CCn1cc(CC[NH+]2CCOCC2)nn1 ZINC000641176167 376844597 /nfs/dbraw/zinc/84/45/97/376844597.db2.gz XBRIVNHCIDWEIS-UHFFFAOYSA-N 2 2 290.371 0.129 20 0 CCADLP Cn1c[nH+]cc1CCn1cc(CN2CC[NH+](C)CC2)nn1 ZINC000641175607 376845550 /nfs/dbraw/zinc/84/55/50/376845550.db2.gz URRNLHGMYAWBRO-UHFFFAOYSA-N 2 2 289.387 0.002 20 0 CCADLP CNC(=O)C[NH+]1CCC(Nc2cc(CO)cc[nH+]2)CC1 ZINC000641285598 376965673 /nfs/dbraw/zinc/96/56/73/376965673.db2.gz CCTDGGKXIYHSBI-UHFFFAOYSA-N 2 2 278.356 0.196 20 0 CCADLP COCC[N@H+](C)CCCNc1cc(CO)cc[nH+]1 ZINC000641290723 376969625 /nfs/dbraw/zinc/96/96/25/376969625.db2.gz ZMZXSZOGIMHDFA-UHFFFAOYSA-N 2 2 253.346 0.376 20 0 CCADLP COCC[N@@H+](C)CCCNc1cc(CO)cc[nH+]1 ZINC000641290723 376969629 /nfs/dbraw/zinc/96/96/29/376969629.db2.gz ZMZXSZOGIMHDFA-UHFFFAOYSA-N 2 2 253.346 0.376 20 0 CCADLP C[C@@H](Nc1cc(CO)cc[nH+]1)[C@@H]1C[N@H+](C)CCO1 ZINC000641449719 377133080 /nfs/dbraw/zinc/13/30/80/377133080.db2.gz MLMHSQMIGYBSIU-PWSUYJOCSA-N 2 2 251.330 0.705 20 0 CCADLP C[C@@H](Nc1cc(CO)cc[nH+]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000641449719 377133093 /nfs/dbraw/zinc/13/30/93/377133093.db2.gz MLMHSQMIGYBSIU-PWSUYJOCSA-N 2 2 251.330 0.705 20 0 CCADLP C[C@H]([NH3+])CNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000641479694 377162078 /nfs/dbraw/zinc/16/20/78/377162078.db2.gz XLPBKDMTTITSJL-NSHDSACASA-N 2 2 282.413 0.923 20 0 CCADLP COCc1cc(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)no1 ZINC000641717117 377417916 /nfs/dbraw/zinc/41/79/16/377417916.db2.gz YTFXWZTZGYSKIX-ZDUSSCGKSA-N 2 2 296.415 0.794 20 0 CCADLP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C1(C)C)c1nnnn1C1CC1 ZINC000641801523 377471963 /nfs/dbraw/zinc/47/19/63/377471963.db2.gz RQRURMXHAVMCHT-HGNGGELXSA-N 2 2 250.350 0.784 20 0 CCADLP C[C@H](C(=O)NC(C)(C)CCC[NH+](C)C)[NH+]1CCOCC1 ZINC000456169919 249034733 /nfs/dbraw/zinc/03/47/33/249034733.db2.gz NAZXUUQAFNTTQL-CYBMUJFWSA-N 2 2 285.432 0.944 20 0 CCADLP C[NH+](C)CC(C)(C)[NH2+]CCn1nc2ccccn2c1=O ZINC000459539814 249042102 /nfs/dbraw/zinc/04/21/02/249042102.db2.gz QCEXOCFHFSRLDQ-UHFFFAOYSA-N 2 2 277.372 0.426 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000493194780 249086064 /nfs/dbraw/zinc/08/60/64/249086064.db2.gz ZRFICXRFFBLZBN-YVACAVLKSA-N 2 2 292.383 0.801 20 0 CCADLP COc1c(N)[nH+]cnc1NCCCCn1cc[nH+]c1C ZINC000515432355 249134419 /nfs/dbraw/zinc/13/44/19/249134419.db2.gz BNMJRNCAVCPYGD-UHFFFAOYSA-N 2 2 276.344 0.887 20 0 CCADLP COc1c(N)nc[nH+]c1NCCCCn1cc[nH+]c1C ZINC000515432355 249134420 /nfs/dbraw/zinc/13/44/20/249134420.db2.gz BNMJRNCAVCPYGD-UHFFFAOYSA-N 2 2 276.344 0.887 20 0 CCADLP Cc1cc(NC(=O)NCCCN2CC[NH2+]CC2)c(C)c[nH+]1 ZINC000515804205 249143887 /nfs/dbraw/zinc/14/38/87/249143887.db2.gz NCUYCFLLJABGTK-UHFFFAOYSA-N 2 2 291.399 0.537 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](C)C(C)(C)C1)N1CC[NH+](C)CC1 ZINC000516790903 249180504 /nfs/dbraw/zinc/18/05/04/249180504.db2.gz VFCRHIVVONVWGR-ZDUSSCGKSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](C)C(C)(C)C1)N1CC[NH+](C)CC1 ZINC000516790903 249180505 /nfs/dbraw/zinc/18/05/05/249180505.db2.gz VFCRHIVVONVWGR-ZDUSSCGKSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1CC[N@H+](C)C(C)(C)C1 ZINC000516875806 249185177 /nfs/dbraw/zinc/18/51/77/249185177.db2.gz WNUOYCNWTQILFD-CYBMUJFWSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000516875806 249185180 /nfs/dbraw/zinc/18/51/80/249185180.db2.gz WNUOYCNWTQILFD-CYBMUJFWSA-N 2 2 255.406 0.733 20 0 CCADLP C[N@H+]([C@@H]1COC[C@H]1O)C1CC[NH+](CCn2cccn2)CC1 ZINC000516944112 249192390 /nfs/dbraw/zinc/19/23/90/249192390.db2.gz CQNZOSHZJUVKOL-HUUCEWRRSA-N 2 2 294.399 0.039 20 0 CCADLP C[N@@H+]([C@@H]1COC[C@H]1O)C1CC[NH+](CCn2cccn2)CC1 ZINC000516944112 249192391 /nfs/dbraw/zinc/19/23/91/249192391.db2.gz CQNZOSHZJUVKOL-HUUCEWRRSA-N 2 2 294.399 0.039 20 0 CCADLP CCOCC[C@H](O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000516978052 249196753 /nfs/dbraw/zinc/19/67/53/249196753.db2.gz YYTSTKMUOQOFHV-OLZOCXBDSA-N 2 2 267.373 0.997 20 0 CCADLP CCOCC[C@H](O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000516978052 249196755 /nfs/dbraw/zinc/19/67/55/249196755.db2.gz YYTSTKMUOQOFHV-OLZOCXBDSA-N 2 2 267.373 0.997 20 0 CCADLP C[NH2+][C@@H](C)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000518215680 249244518 /nfs/dbraw/zinc/24/45/18/249244518.db2.gz YDFMYNDFSASQTK-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP [NH3+]CC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)C(F)F ZINC000517369697 249216149 /nfs/dbraw/zinc/21/61/49/249216149.db2.gz GKNARDDBMPUFOL-QMMMGPOBSA-N 2 2 296.281 0.375 20 0 CCADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N(C)Cc1cnn(C)c1 ZINC000518777207 249260361 /nfs/dbraw/zinc/26/03/61/249260361.db2.gz WAXJEEWJXZDDGM-AWEZNQCLSA-N 2 2 281.404 0.342 20 0 CCADLP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1ccon1 ZINC000643061200 377708954 /nfs/dbraw/zinc/70/89/54/377708954.db2.gz KNDAWOJSMUBMAW-LBPRGKRZSA-N 2 2 278.356 0.499 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000288084927 197001417 /nfs/dbraw/zinc/00/14/17/197001417.db2.gz SIBZCCKLAJLWJI-LBPRGKRZSA-N 2 2 267.377 0.865 20 0 CCADLP CN(C)c1cc(NC(=O)[C@@H]2C[N@H+](C)CCO2)cc[nH+]1 ZINC000267194978 190310648 /nfs/dbraw/zinc/31/06/48/190310648.db2.gz CXIKFCRHKPRHRW-NSHDSACASA-N 2 2 264.329 0.417 20 0 CCADLP CN(C)c1cc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)cc[nH+]1 ZINC000267194978 190310649 /nfs/dbraw/zinc/31/06/49/190310649.db2.gz CXIKFCRHKPRHRW-NSHDSACASA-N 2 2 264.329 0.417 20 0 CCADLP O[C@@H](Cn1cccn1)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267467550 190332364 /nfs/dbraw/zinc/33/23/64/190332364.db2.gz WTORQBNVRQTKRX-QWHCGFSZSA-N 2 2 275.356 0.847 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000268229084 190388233 /nfs/dbraw/zinc/38/82/33/190388233.db2.gz YCXCJURAEMVNQV-YPMHNXCESA-N 2 2 277.372 0.665 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000268229084 190388234 /nfs/dbraw/zinc/38/82/34/190388234.db2.gz YCXCJURAEMVNQV-YPMHNXCESA-N 2 2 277.372 0.665 20 0 CCADLP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)CCc1[nH]cc[nH+]1 ZINC000289196103 197260425 /nfs/dbraw/zinc/26/04/25/197260425.db2.gz RTWFFLRGWYYFTP-LLVKDONJSA-N 2 2 250.346 0.752 20 0 CCADLP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)CCc1[nH]cc[nH+]1 ZINC000289196103 197260426 /nfs/dbraw/zinc/26/04/26/197260426.db2.gz RTWFFLRGWYYFTP-LLVKDONJSA-N 2 2 250.346 0.752 20 0 CCADLP c1[nH+]c2n(c1C[NH2+]CCCN1CCOCC1)CCC2 ZINC000657285810 412952847 /nfs/dbraw/zinc/95/28/47/412952847.db2.gz CTFIQKQIGIXVEM-UHFFFAOYSA-N 2 2 264.373 0.641 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)N3CC[C@@H]([NH3+])C3)cn2c1 ZINC000334895178 207257305 /nfs/dbraw/zinc/25/73/05/207257305.db2.gz SXMIBAAYSIMJKY-LLVKDONJSA-N 2 2 273.340 0.885 20 0 CCADLP C[C@@H]1CN(C[C@@H](O)C[NH2+]CCc2cn(C)c[nH+]2)C[C@@H](C)O1 ZINC000571039845 291786047 /nfs/dbraw/zinc/78/60/47/291786047.db2.gz MCAWHTCCVOAHPE-NFAWXSAZSA-N 2 2 296.415 0.022 20 0 CCADLP O=C(CCC[NH2+]Cc1c[nH+]c2n1CCC2)NC1CC1 ZINC000657313446 412957977 /nfs/dbraw/zinc/95/79/77/412957977.db2.gz QZQGMRHULKIKNV-UHFFFAOYSA-N 2 2 262.357 0.978 20 0 CCADLP C[C@H](CN1CCCC1=O)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657316230 412956848 /nfs/dbraw/zinc/95/68/48/412956848.db2.gz CKHIMCUEPJIQBA-LLVKDONJSA-N 2 2 262.357 0.930 20 0 CCADLP O[C@H](CNCc1c[nH+]c2n1CCC2)C[NH+]1CCCC1 ZINC000657326746 412961894 /nfs/dbraw/zinc/96/18/94/412961894.db2.gz RLCKMEZBZFBCRS-CYBMUJFWSA-N 2 2 264.373 0.376 20 0 CCADLP CC(C)COC[C@@H](O)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657324748 412962854 /nfs/dbraw/zinc/96/28/54/412962854.db2.gz CQYLRZHPPJQSLE-ZDUSSCGKSA-N 2 2 267.373 0.952 20 0 CCADLP CC(C)NS(=O)(=O)CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657348827 412965391 /nfs/dbraw/zinc/96/53/91/412965391.db2.gz IXATWVYEEKPOQG-UHFFFAOYSA-N 2 2 286.401 0.247 20 0 CCADLP CC(C)n1ccnc1C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000657346907 412965974 /nfs/dbraw/zinc/96/59/74/412965974.db2.gz QGQNCXRSYSFWCD-UHFFFAOYSA-N 2 2 293.415 0.718 20 0 CCADLP [NH3+][C@H](C(=O)N1CCC[C@H]([NH3+])C1)c1c(F)cccc1F ZINC000334967610 207382590 /nfs/dbraw/zinc/38/25/90/207382590.db2.gz OUORZXRXNQQCHG-UFBFGSQYSA-N 2 2 269.295 0.914 20 0 CCADLP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CS(=O)(=O)CC)C1 ZINC000246082262 285003266 /nfs/dbraw/zinc/00/32/66/285003266.db2.gz VFBNIKLLLVZGRU-VXGBXAGGSA-N 2 2 262.419 0.741 20 0 CCADLP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)CS(=O)(=O)CC)C1 ZINC000246082262 285003270 /nfs/dbraw/zinc/00/32/70/285003270.db2.gz VFBNIKLLLVZGRU-VXGBXAGGSA-N 2 2 262.419 0.741 20 0 CCADLP C[C@@H](C[NH3+])N(C)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000571520866 291819604 /nfs/dbraw/zinc/81/96/04/291819604.db2.gz KHNANFVDKWFFCS-JTQLQIEISA-N 2 2 259.313 0.687 20 0 CCADLP COCCNC(=O)C1([NH2+]Cc2c[nH+]cn2C(C)C)CC1 ZINC000424164452 532997191 /nfs/dbraw/zinc/99/71/91/532997191.db2.gz CIGLVZOCPKBSSR-UHFFFAOYSA-N 2 2 280.372 0.849 20 0 CCADLP Cc1ccncc1C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000280984759 195058184 /nfs/dbraw/zinc/05/81/84/195058184.db2.gz UQXZQEFZGMHGLP-CQSZACIVSA-N 2 2 276.384 0.819 20 0 CCADLP Cc1ccncc1C[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000280984759 195058186 /nfs/dbraw/zinc/05/81/86/195058186.db2.gz UQXZQEFZGMHGLP-CQSZACIVSA-N 2 2 276.384 0.819 20 0 CCADLP COc1ccccc1[C@H]([NH3+])C(=O)NCC(F)(F)C[NH3+] ZINC000427295864 533015234 /nfs/dbraw/zinc/01/52/34/533015234.db2.gz LHVHSFNIORRURG-JTQLQIEISA-N 2 2 273.283 0.405 20 0 CCADLP C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000571911295 291846246 /nfs/dbraw/zinc/84/62/46/291846246.db2.gz AUNNZIYVLNVCOC-ZYHUDNBSSA-N 2 2 258.325 0.949 20 0 CCADLP C[C@@H](CCS(C)(=O)=O)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657400582 412981002 /nfs/dbraw/zinc/98/10/02/412981002.db2.gz IVILOWJDDMBNCY-JTQLQIEISA-N 2 2 271.386 0.742 20 0 CCADLP [NH3+][C@@H](C(=O)N1CC[C@H]([NH3+])C1)c1c(F)cccc1F ZINC000335407650 208387212 /nfs/dbraw/zinc/38/72/12/208387212.db2.gz SJJQSEJXLIDGBG-WRWORJQWSA-N 2 2 255.268 0.524 20 0 CCADLP CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+]Cc2c[nH+]c3n2CCC3)O1 ZINC000657427524 412987353 /nfs/dbraw/zinc/98/73/53/412987353.db2.gz RYZNMMCNGDGIRT-STQMWFEESA-N 2 2 292.383 0.555 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC000249516742 285121974 /nfs/dbraw/zinc/12/19/74/285121974.db2.gz RPSMIWYKHLFNHF-KBPBESRZSA-N 2 2 283.416 0.386 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC000249516742 285121977 /nfs/dbraw/zinc/12/19/77/285121977.db2.gz RPSMIWYKHLFNHF-KBPBESRZSA-N 2 2 283.416 0.386 20 0 CCADLP CC[NH+]1CCCC[C@H]1C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000249516742 285121979 /nfs/dbraw/zinc/12/19/79/285121979.db2.gz RPSMIWYKHLFNHF-KBPBESRZSA-N 2 2 283.416 0.386 20 0 CCADLP CC[NH+]1CCCC[C@H]1C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000249516742 285121982 /nfs/dbraw/zinc/12/19/82/285121982.db2.gz RPSMIWYKHLFNHF-KBPBESRZSA-N 2 2 283.416 0.386 20 0 CCADLP O=c1nc([C@@H]2CCC[N@H+](CCn3cc[nH+]c3)C2)[nH][nH]1 ZINC000289356297 197310112 /nfs/dbraw/zinc/31/01/12/197310112.db2.gz GTAIBPMAOBTCOQ-SNVBAGLBSA-N 2 2 262.317 0.174 20 0 CCADLP O=c1nc([C@@H]2CCC[N@@H+](CCn3cc[nH+]c3)C2)[nH][nH]1 ZINC000289356297 197310113 /nfs/dbraw/zinc/31/01/13/197310113.db2.gz GTAIBPMAOBTCOQ-SNVBAGLBSA-N 2 2 262.317 0.174 20 0 CCADLP COCC(C)(C)[NH+]1CCN(Cc2noc(C[NH3+])n2)CC1 ZINC000424338616 533097218 /nfs/dbraw/zinc/09/72/18/533097218.db2.gz UNRBUSPSESHZIF-UHFFFAOYSA-N 2 2 283.376 0.071 20 0 CCADLP CC[C@@H](O)C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000304351395 285167636 /nfs/dbraw/zinc/16/76/36/285167636.db2.gz ZAMXTDUZSCJPGX-GFCCVEGCSA-N 2 2 279.388 0.436 20 0 CCADLP Cc1cc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)no1 ZINC000374999051 291888395 /nfs/dbraw/zinc/88/83/95/291888395.db2.gz PCQCAJMTGNHDPE-UHFFFAOYSA-N 2 2 295.383 0.642 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434380763 285194160 /nfs/dbraw/zinc/19/41/60/285194160.db2.gz WOWGAIFLHLYMHU-CQSZACIVSA-N 2 2 295.427 0.842 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434380763 285194161 /nfs/dbraw/zinc/19/41/61/285194161.db2.gz WOWGAIFLHLYMHU-CQSZACIVSA-N 2 2 295.427 0.842 20 0 CCADLP CC[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[N@@H+]1C[C@H](C)O ZINC000288542436 197107604 /nfs/dbraw/zinc/10/76/04/197107604.db2.gz QFLNSWGFFSMREG-QWHCGFSZSA-N 2 2 294.399 0.646 20 0 CCADLP CC[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[N@H+]1C[C@H](C)O ZINC000288542436 197107605 /nfs/dbraw/zinc/10/76/05/197107605.db2.gz QFLNSWGFFSMREG-QWHCGFSZSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@H]1CN(C(=O)C[N@H+](C)C2CC([NH3+])C2)C[C@H](C)O1 ZINC000394974947 285219307 /nfs/dbraw/zinc/21/93/07/285219307.db2.gz BBKMYCHXYQENIV-JYBOHDQNSA-N 2 2 255.362 0.044 20 0 CCADLP C[C@H]1CN(C(=O)C[N@@H+](C)C2CC([NH3+])C2)C[C@H](C)O1 ZINC000394974947 285219308 /nfs/dbraw/zinc/21/93/08/285219308.db2.gz BBKMYCHXYQENIV-JYBOHDQNSA-N 2 2 255.362 0.044 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C2CCN(C(N)=O)CC2)C1 ZINC000657564469 413026357 /nfs/dbraw/zinc/02/63/57/413026357.db2.gz ZIASSTLOUUSGCO-GFCCVEGCSA-N 2 2 268.405 0.992 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C2CCN(C(N)=O)CC2)C1 ZINC000657564469 413026362 /nfs/dbraw/zinc/02/63/62/413026362.db2.gz ZIASSTLOUUSGCO-GFCCVEGCSA-N 2 2 268.405 0.992 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000171158368 335057044 /nfs/dbraw/zinc/05/70/44/335057044.db2.gz MSDKBUPVNDKRFG-ZDUSSCGKSA-N 2 2 286.420 0.347 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000171158368 335057045 /nfs/dbraw/zinc/05/70/45/335057045.db2.gz MSDKBUPVNDKRFG-ZDUSSCGKSA-N 2 2 286.420 0.347 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000171158372 335057176 /nfs/dbraw/zinc/05/71/76/335057176.db2.gz MSDKBUPVNDKRFG-CYBMUJFWSA-N 2 2 286.420 0.347 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000171158372 335057178 /nfs/dbraw/zinc/05/71/78/335057178.db2.gz MSDKBUPVNDKRFG-CYBMUJFWSA-N 2 2 286.420 0.347 20 0 CCADLP [NH3+][C@H](Cc1ccccc1)C(=O)NCCn1cc[nH+]c1 ZINC000041120103 388861632 /nfs/dbraw/zinc/86/16/32/388861632.db2.gz YSJPJAVWUPAANQ-CYBMUJFWSA-N 2 2 258.325 0.569 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000186701684 388847853 /nfs/dbraw/zinc/84/78/53/388847853.db2.gz IKXGVNPPXBNDFW-AAEUAGOBSA-N 2 2 272.352 0.991 20 0 CCADLP C[C@H]1CC[N@H+](CCCn2cc[nH+]c2)[C@H](C(N)=O)C1 ZINC000187380578 388879560 /nfs/dbraw/zinc/87/95/60/388879560.db2.gz SARIBNMAYFTFCY-RYUDHWBXSA-N 2 2 250.346 0.859 20 0 CCADLP C[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)[C@H](C(N)=O)C1 ZINC000187380578 388879563 /nfs/dbraw/zinc/87/95/63/388879563.db2.gz SARIBNMAYFTFCY-RYUDHWBXSA-N 2 2 250.346 0.859 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1c[nH+]cn1C ZINC000290997474 388915651 /nfs/dbraw/zinc/91/56/51/388915651.db2.gz KYUAAERCJLJUAZ-LLVKDONJSA-N 2 2 265.361 0.704 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1c[nH+]cn1C ZINC000290997474 388915653 /nfs/dbraw/zinc/91/56/53/388915653.db2.gz KYUAAERCJLJUAZ-LLVKDONJSA-N 2 2 265.361 0.704 20 0 CCADLP OCC[NH+](CCO)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000049753886 388923689 /nfs/dbraw/zinc/92/36/89/388923689.db2.gz CCPCMVFDLNZIJA-UHFFFAOYSA-N 2 2 261.325 0.659 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H]1CN1CCOCC1)C1CC1 ZINC000336848196 389027556 /nfs/dbraw/zinc/02/75/56/389027556.db2.gz IBOMDHCJNDJLCX-HZPDHXFCSA-N 2 2 297.443 0.238 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H]1CN1CCOCC1)C1CC1 ZINC000336848196 389027559 /nfs/dbraw/zinc/02/75/59/389027559.db2.gz IBOMDHCJNDJLCX-HZPDHXFCSA-N 2 2 297.443 0.238 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H]1CN1CCOCC1)C1CC1 ZINC000336848196 389027563 /nfs/dbraw/zinc/02/75/63/389027563.db2.gz IBOMDHCJNDJLCX-HZPDHXFCSA-N 2 2 297.443 0.238 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H]1CN1CCOCC1)C1CC1 ZINC000336848196 389027566 /nfs/dbraw/zinc/02/75/66/389027566.db2.gz IBOMDHCJNDJLCX-HZPDHXFCSA-N 2 2 297.443 0.238 20 0 CCADLP C[N@H+](C[C@@H](O)CN1CCC[C@@H]1C[NH+]1CCOCC1)C1CC1 ZINC000336848196 389027569 /nfs/dbraw/zinc/02/75/69/389027569.db2.gz IBOMDHCJNDJLCX-HZPDHXFCSA-N 2 2 297.443 0.238 20 0 CCADLP C[N@@H+](C[C@@H](O)CN1CCC[C@@H]1C[NH+]1CCOCC1)C1CC1 ZINC000336848196 389027572 /nfs/dbraw/zinc/02/75/72/389027572.db2.gz IBOMDHCJNDJLCX-HZPDHXFCSA-N 2 2 297.443 0.238 20 0 CCADLP COCC[N@H+](C)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085638073 389006913 /nfs/dbraw/zinc/00/69/13/389006913.db2.gz UMVZGRZLTCDICX-XQQFMLRXSA-N 2 2 256.390 0.968 20 0 CCADLP COCC[N@@H+](C)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085638073 389006916 /nfs/dbraw/zinc/00/69/16/389006916.db2.gz UMVZGRZLTCDICX-XQQFMLRXSA-N 2 2 256.390 0.968 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@H](O)C(C)(C)C1)C1CC1 ZINC000336786474 389017818 /nfs/dbraw/zinc/01/78/18/389017818.db2.gz CBKNHJGJILCNPL-CHWSQXEVSA-N 2 2 256.390 0.534 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@H](O)C(C)(C)C1)C1CC1 ZINC000336786474 389017821 /nfs/dbraw/zinc/01/78/21/389017821.db2.gz CBKNHJGJILCNPL-CHWSQXEVSA-N 2 2 256.390 0.534 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@H](O)C(C)(C)C1)C1CC1 ZINC000336786474 389017823 /nfs/dbraw/zinc/01/78/23/389017823.db2.gz CBKNHJGJILCNPL-CHWSQXEVSA-N 2 2 256.390 0.534 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@H](O)C(C)(C)C1)C1CC1 ZINC000336786474 389017824 /nfs/dbraw/zinc/01/78/24/389017824.db2.gz CBKNHJGJILCNPL-CHWSQXEVSA-N 2 2 256.390 0.534 20 0 CCADLP Cc1nccc(N2CC[NH+](CCc3c[nH+]cn3C)CC2)n1 ZINC000298491350 389024367 /nfs/dbraw/zinc/02/43/67/389024367.db2.gz QAXMWVJDTGNEFB-UHFFFAOYSA-N 2 2 286.383 0.883 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[NH+](CC(C)(C)O)[C@@H](C)C2)CCO1 ZINC000192839902 389055907 /nfs/dbraw/zinc/05/59/07/389055907.db2.gz FGSAWFOVILRSCD-LSDHHAIUSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](CC(C)(C)O)[C@@H](C)C2)CCO1 ZINC000192839902 389055910 /nfs/dbraw/zinc/05/59/10/389055910.db2.gz FGSAWFOVILRSCD-LSDHHAIUSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CCO1 ZINC000192839902 389055913 /nfs/dbraw/zinc/05/59/13/389055913.db2.gz FGSAWFOVILRSCD-LSDHHAIUSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CCO1 ZINC000192839902 389055916 /nfs/dbraw/zinc/05/59/16/389055916.db2.gz FGSAWFOVILRSCD-LSDHHAIUSA-N 2 2 299.459 0.484 20 0 CCADLP CCc1cc(NC[C@H]2C[NH+]3CCN2CC3)nc(C)[nH+]1 ZINC000302104288 389062827 /nfs/dbraw/zinc/06/28/27/389062827.db2.gz RHNBLJQCOGAELY-ZDUSSCGKSA-N 2 2 261.373 0.759 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[NH+]1CCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000337638209 389064981 /nfs/dbraw/zinc/06/49/81/389064981.db2.gz ZOVBCSMKFAJAHI-ZNMIVQPWSA-N 2 2 297.443 0.942 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[NH+]1CCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000337638209 389064983 /nfs/dbraw/zinc/06/49/83/389064983.db2.gz ZOVBCSMKFAJAHI-ZNMIVQPWSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@H]1CC[N@H+](CC2(CO)COC2)C[C@@H]1n1cc[nH+]c1 ZINC000305616348 389086097 /nfs/dbraw/zinc/08/60/97/389086097.db2.gz DDKQPAZLNYWLOF-STQMWFEESA-N 2 2 265.357 0.775 20 0 CCADLP C[C@H]1CC[N@@H+](CC2(CO)COC2)C[C@@H]1n1cc[nH+]c1 ZINC000305616348 389086098 /nfs/dbraw/zinc/08/60/98/389086098.db2.gz DDKQPAZLNYWLOF-STQMWFEESA-N 2 2 265.357 0.775 20 0 CCADLP C[C@H]1C[C@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@@H+]1C ZINC000355519064 389088672 /nfs/dbraw/zinc/08/86/72/389088672.db2.gz JFCKDNGLKCGTGC-UONOGXRCSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H]1C[C@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@H+]1C ZINC000355519064 389088677 /nfs/dbraw/zinc/08/86/77/389088677.db2.gz JFCKDNGLKCGTGC-UONOGXRCSA-N 2 2 297.443 0.944 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000298589290 389033773 /nfs/dbraw/zinc/03/37/73/389033773.db2.gz USZVTKYRIRLISO-ZDUSSCGKSA-N 2 2 297.403 0.539 20 0 CCADLP COCC[N@@H+](C)CCCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000298589290 389033776 /nfs/dbraw/zinc/03/37/76/389033776.db2.gz USZVTKYRIRLISO-ZDUSSCGKSA-N 2 2 297.403 0.539 20 0 CCADLP CN(CC[NH+]1CCCC1)C(=O)c1cc(C[NH+](C)C)on1 ZINC000355570768 389095862 /nfs/dbraw/zinc/09/58/62/389095862.db2.gz HZZJYKYLFCAPEU-UHFFFAOYSA-N 2 2 280.372 0.904 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000107576119 389097245 /nfs/dbraw/zinc/09/72/45/389097245.db2.gz RLEMKRXVTXOPFO-UPJWGTAASA-N 2 2 251.374 0.396 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000107576119 389097249 /nfs/dbraw/zinc/09/72/49/389097249.db2.gz RLEMKRXVTXOPFO-UPJWGTAASA-N 2 2 251.374 0.396 20 0 CCADLP CC[N@@H+]1C[C@@H](C)N(CCC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000338276512 389102682 /nfs/dbraw/zinc/10/26/82/389102682.db2.gz ASGNVDRWHQSYEF-HUUCEWRRSA-N 2 2 296.459 0.565 20 0 CCADLP CC[N@H+]1C[C@@H](C)N(CCC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000338276512 389102685 /nfs/dbraw/zinc/10/26/85/389102685.db2.gz ASGNVDRWHQSYEF-HUUCEWRRSA-N 2 2 296.459 0.565 20 0 CCADLP CCN1C[C@@H](C)[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000338276512 389102686 /nfs/dbraw/zinc/10/26/86/389102686.db2.gz ASGNVDRWHQSYEF-HUUCEWRRSA-N 2 2 296.459 0.565 20 0 CCADLP CCN1C[C@@H](C)[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000338276512 389102689 /nfs/dbraw/zinc/10/26/89/389102689.db2.gz ASGNVDRWHQSYEF-HUUCEWRRSA-N 2 2 296.459 0.565 20 0 CCADLP COc1cc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc2c1OCO2 ZINC000313330494 389112440 /nfs/dbraw/zinc/11/24/40/389112440.db2.gz AGFWKJPLQILMBE-LBPRGKRZSA-N 2 2 294.351 0.974 20 0 CCADLP COc1cc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)cc2c1OCO2 ZINC000313330494 389112442 /nfs/dbraw/zinc/11/24/42/389112442.db2.gz AGFWKJPLQILMBE-LBPRGKRZSA-N 2 2 294.351 0.974 20 0 CCADLP CC[C@H](C(N)=O)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112201807 389119910 /nfs/dbraw/zinc/11/99/10/389119910.db2.gz AXEGERUNBLTIIK-CHWSQXEVSA-N 2 2 269.389 0.295 20 0 CCADLP CC[C@H](C(N)=O)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112201807 389119915 /nfs/dbraw/zinc/11/99/15/389119915.db2.gz AXEGERUNBLTIIK-CHWSQXEVSA-N 2 2 269.389 0.295 20 0 CCADLP CN(CCC[NH3+])Cc1cn(Cc2[nH+]ccn2C(F)F)nn1 ZINC000328056184 389127522 /nfs/dbraw/zinc/12/75/22/389127522.db2.gz AORLWEMAYXDQDW-UHFFFAOYSA-N 2 2 299.329 0.699 20 0 CCADLP CCC[N@H+](CC)CCNC[C@H](O)C[NH+]1CCOCC1 ZINC000219402176 389137884 /nfs/dbraw/zinc/13/78/84/389137884.db2.gz ZNQGSNYQRWTBJQ-AWEZNQCLSA-N 2 2 273.421 0.001 20 0 CCADLP CCC[N@@H+](CC)CCNC[C@H](O)C[NH+]1CCOCC1 ZINC000219402176 389137885 /nfs/dbraw/zinc/13/78/85/389137885.db2.gz ZNQGSNYQRWTBJQ-AWEZNQCLSA-N 2 2 273.421 0.001 20 0 CCADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NC(=O)NCC)C1 ZINC000245414835 389206510 /nfs/dbraw/zinc/20/65/10/389206510.db2.gz CQJJAPZCMWTLBN-CHWSQXEVSA-N 2 2 298.431 0.884 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NC(=O)NCC)C1 ZINC000245414835 389206512 /nfs/dbraw/zinc/20/65/12/389206512.db2.gz CQJJAPZCMWTLBN-CHWSQXEVSA-N 2 2 298.431 0.884 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)NCC)C1 ZINC000245414835 389206513 /nfs/dbraw/zinc/20/65/13/389206513.db2.gz CQJJAPZCMWTLBN-CHWSQXEVSA-N 2 2 298.431 0.884 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)NCC)C1 ZINC000245414835 389206515 /nfs/dbraw/zinc/20/65/15/389206515.db2.gz CQJJAPZCMWTLBN-CHWSQXEVSA-N 2 2 298.431 0.884 20 0 CCADLP Cc1ccc([C@@H]([NH3+])C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000228090655 389152921 /nfs/dbraw/zinc/15/29/21/389152921.db2.gz GZQUIFFBXZNXND-OAHLLOKOSA-N 2 2 291.395 0.833 20 0 CCADLP C[C@@H]1CCN(C(=O)C[NH+](C)C)C[C@H]1n1cc[nH+]c1 ZINC000124370609 389160871 /nfs/dbraw/zinc/16/08/71/389160871.db2.gz YPLUDEFUVBCVTN-VXGBXAGGSA-N 2 2 250.346 0.854 20 0 CCADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[N@H+](C)C[C@@H]2C)C1(C)C ZINC000232228746 389161702 /nfs/dbraw/zinc/16/17/02/389161702.db2.gz JHUWYDNIOBNYMS-ZOWXZIJZSA-N 2 2 283.416 0.681 20 0 CCADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[N@@H+](C)C[C@@H]2C)C1(C)C ZINC000232228746 389161704 /nfs/dbraw/zinc/16/17/04/389161704.db2.gz JHUWYDNIOBNYMS-ZOWXZIJZSA-N 2 2 283.416 0.681 20 0 CCADLP CCCCNC(=O)CC[N@@H+]1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000359035177 389166048 /nfs/dbraw/zinc/16/60/48/389166048.db2.gz AFWSZVZDQMDTOP-STQMWFEESA-N 2 2 271.405 0.731 20 0 CCADLP CCCCNC(=O)CC[N@H+]1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000359035177 389166050 /nfs/dbraw/zinc/16/60/50/389166050.db2.gz AFWSZVZDQMDTOP-STQMWFEESA-N 2 2 271.405 0.731 20 0 CCADLP COC(=O)CC[C@H]([NH3+])C(=O)NCc1[nH+]ccn1CC(C)C ZINC000342700634 389243984 /nfs/dbraw/zinc/24/39/84/389243984.db2.gz ILNDHSISFIKJTQ-NSHDSACASA-N 2 2 296.371 0.436 20 0 CCADLP CN(Cc1ncnn1C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363482016 389248725 /nfs/dbraw/zinc/24/87/25/389248725.db2.gz XCVOCZKFODYLHO-AWEZNQCLSA-N 2 2 292.431 0.415 20 0 CCADLP CN(Cc1ncnn1C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363482016 389248728 /nfs/dbraw/zinc/24/87/28/389248728.db2.gz XCVOCZKFODYLHO-AWEZNQCLSA-N 2 2 292.431 0.415 20 0 CCADLP COCCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364205230 389257315 /nfs/dbraw/zinc/25/73/15/389257315.db2.gz GASKFFKTHGBZPL-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP COCCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364205230 389257319 /nfs/dbraw/zinc/25/73/19/389257319.db2.gz GASKFFKTHGBZPL-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1CC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000343582277 389268089 /nfs/dbraw/zinc/26/80/89/389268089.db2.gz KOCVPZYGOAYBJR-TUVASFSCSA-N 2 2 267.417 0.874 20 0 CCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1CC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000343582277 389268091 /nfs/dbraw/zinc/26/80/91/389268091.db2.gz KOCVPZYGOAYBJR-TUVASFSCSA-N 2 2 267.417 0.874 20 0 CCADLP C[C@@H]1[C@@H](C)[NH+](C)CCN1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000343582277 389268093 /nfs/dbraw/zinc/26/80/93/389268093.db2.gz KOCVPZYGOAYBJR-TUVASFSCSA-N 2 2 267.417 0.874 20 0 CCADLP C[C@@H]1[C@@H](C)[NH+](C)CCN1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000343582277 389268095 /nfs/dbraw/zinc/26/80/95/389268095.db2.gz KOCVPZYGOAYBJR-TUVASFSCSA-N 2 2 267.417 0.874 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCOC[C@H]2OCCOC)C1 ZINC000362700836 389239908 /nfs/dbraw/zinc/23/99/08/389239908.db2.gz VYGSUJKZPIGLIO-BYNSBNAKSA-N 2 2 286.416 0.737 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCOC[C@H]2OCCOC)C1 ZINC000362700836 389239910 /nfs/dbraw/zinc/23/99/10/389239910.db2.gz VYGSUJKZPIGLIO-BYNSBNAKSA-N 2 2 286.416 0.737 20 0 CCADLP CC(C)NC(=O)CN1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346833482 389338890 /nfs/dbraw/zinc/33/88/90/389338890.db2.gz RNHZZQCGZXTQPG-CQSZACIVSA-N 2 2 282.432 0.128 20 0 CCADLP CC(C)NC(=O)C[NH+]1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346833482 389338894 /nfs/dbraw/zinc/33/88/94/389338894.db2.gz RNHZZQCGZXTQPG-CQSZACIVSA-N 2 2 282.432 0.128 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](CC2CC2)CC1)[C@H]1CCSC1 ZINC000136942755 389268865 /nfs/dbraw/zinc/26/88/65/389268865.db2.gz VLIHEZHGRHMYNM-AWEZNQCLSA-N 2 2 297.468 0.978 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](CC2CC2)CC1)[C@H]1CCSC1 ZINC000136942755 389268868 /nfs/dbraw/zinc/26/88/68/389268868.db2.gz VLIHEZHGRHMYNM-AWEZNQCLSA-N 2 2 297.468 0.978 20 0 CCADLP [NH3+][C@H]1CCCC[C@H]1CC(=O)NCCn1cc[nH+]c1 ZINC000261568788 389272183 /nfs/dbraw/zinc/27/21/83/389272183.db2.gz JKPIAAQINHVNFO-RYUDHWBXSA-N 2 2 250.346 0.907 20 0 CCADLP C[C@H]([NH3+])CC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000261769107 389276078 /nfs/dbraw/zinc/27/60/78/389276078.db2.gz IOWBXWACACUZOY-NSHDSACASA-N 2 2 282.413 0.915 20 0 CCADLP C[C@H]([NH3+])CC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000261769107 389276082 /nfs/dbraw/zinc/27/60/82/389276082.db2.gz IOWBXWACACUZOY-NSHDSACASA-N 2 2 282.413 0.915 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365401676 389279661 /nfs/dbraw/zinc/27/96/61/389279661.db2.gz GGSKUDCWWSKAQB-MNOVXSKESA-N 2 2 270.377 0.247 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365401676 389279664 /nfs/dbraw/zinc/27/96/64/389279664.db2.gz GGSKUDCWWSKAQB-MNOVXSKESA-N 2 2 270.377 0.247 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)CS1(=O)=O ZINC000657637849 413040955 /nfs/dbraw/zinc/04/09/55/413040955.db2.gz KKZAMYZNCOYIKD-MNOVXSKESA-N 2 2 283.397 0.885 20 0 CCADLP COC(=O)[C@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)C1CC1 ZINC000348190785 389369027 /nfs/dbraw/zinc/36/90/27/389369027.db2.gz UASJRJKNJMEINO-OAHLLOKOSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H]1CN(C)CC[NH+]1C ZINC000348377359 389375272 /nfs/dbraw/zinc/37/52/72/389375272.db2.gz MPGGGAOTAACFCI-KBPBESRZSA-N 2 2 299.463 0.262 20 0 CCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1CN(C)CC[NH+]1C ZINC000348377359 389375276 /nfs/dbraw/zinc/37/52/76/389375276.db2.gz MPGGGAOTAACFCI-KBPBESRZSA-N 2 2 299.463 0.262 20 0 CCADLP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000348377359 389375278 /nfs/dbraw/zinc/37/52/78/389375278.db2.gz MPGGGAOTAACFCI-KBPBESRZSA-N 2 2 299.463 0.262 20 0 CCADLP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000348377359 389375283 /nfs/dbraw/zinc/37/52/83/389375283.db2.gz MPGGGAOTAACFCI-KBPBESRZSA-N 2 2 299.463 0.262 20 0 CCADLP CCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368925066 389387421 /nfs/dbraw/zinc/38/74/21/389387421.db2.gz PVYSJXRKPOWVNL-CYBMUJFWSA-N 2 2 268.405 0.816 20 0 CCADLP CCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368925066 389387422 /nfs/dbraw/zinc/38/74/22/389387422.db2.gz PVYSJXRKPOWVNL-CYBMUJFWSA-N 2 2 268.405 0.816 20 0 CCADLP CC[C@@H](C(=O)NCc1c[nH+]c(N(C)C)n1C)[NH+](C)C ZINC000268789425 389391034 /nfs/dbraw/zinc/39/10/34/389391034.db2.gz FZHRWEAGPQUKOG-NSHDSACASA-N 2 2 267.377 0.443 20 0 CCADLP COCc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)o1 ZINC000268778139 389391400 /nfs/dbraw/zinc/39/14/00/389391400.db2.gz HTTBVVCDXBHWTE-AWEZNQCLSA-N 2 2 295.383 0.855 20 0 CCADLP COCc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)o1 ZINC000268778139 389391404 /nfs/dbraw/zinc/39/14/04/389391404.db2.gz HTTBVVCDXBHWTE-AWEZNQCLSA-N 2 2 295.383 0.855 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c[nH+]1 ZINC000269223763 389408113 /nfs/dbraw/zinc/40/81/13/389408113.db2.gz BZIHNLCJSAIDPJ-VXGBXAGGSA-N 2 2 262.357 0.891 20 0 CCADLP C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1CCn1cc[nH+]c1 ZINC000370614066 389409443 /nfs/dbraw/zinc/40/94/43/389409443.db2.gz JYARBJYPHCFCBZ-UONOGXRCSA-N 2 2 264.373 0.678 20 0 CCADLP CC[C@@](C)(O)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000162011652 389413676 /nfs/dbraw/zinc/41/36/76/389413676.db2.gz PLVUKZFJASWQTN-UKRRQHHQSA-N 2 2 283.416 0.562 20 0 CCADLP CC[C@@](C)(O)C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000162011652 389413678 /nfs/dbraw/zinc/41/36/78/389413678.db2.gz PLVUKZFJASWQTN-UKRRQHHQSA-N 2 2 283.416 0.562 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](CCO)CC2)CC1 ZINC000421006154 389345378 /nfs/dbraw/zinc/34/53/78/389345378.db2.gz AYDJNOMZDJXHMT-AWEZNQCLSA-N 2 2 283.416 0.245 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](CCO)CC2)CC1 ZINC000421006154 389345382 /nfs/dbraw/zinc/34/53/82/389345382.db2.gz AYDJNOMZDJXHMT-AWEZNQCLSA-N 2 2 283.416 0.245 20 0 CCADLP CN(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C[C@H]1CCC[NH+]1C ZINC000421012153 389347317 /nfs/dbraw/zinc/34/73/17/389347317.db2.gz SWUVUAVPFMLIGQ-KFWWJZLASA-N 2 2 267.417 0.876 20 0 CCADLP CN(CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C[C@H]1CCC[NH+]1C ZINC000421012153 389347320 /nfs/dbraw/zinc/34/73/20/389347320.db2.gz SWUVUAVPFMLIGQ-KFWWJZLASA-N 2 2 267.417 0.876 20 0 CCADLP CN(CC[NH+]1C[C@H]2CC[C@@H](C1)O2)C[C@H]1CCC[N@@H+]1C ZINC000421012153 389347321 /nfs/dbraw/zinc/34/73/21/389347321.db2.gz SWUVUAVPFMLIGQ-KFWWJZLASA-N 2 2 267.417 0.876 20 0 CCADLP CN(CC[NH+]1C[C@H]2CC[C@@H](C1)O2)C[C@H]1CCC[N@H+]1C ZINC000421012153 389347324 /nfs/dbraw/zinc/34/73/24/389347324.db2.gz SWUVUAVPFMLIGQ-KFWWJZLASA-N 2 2 267.417 0.876 20 0 CCADLP CN(C)c1nc(N2CC[N@@H+]3CCOC[C@H]3C2)cc[nH+]1 ZINC000347878718 389359975 /nfs/dbraw/zinc/35/99/75/389359975.db2.gz NNYSZBJDEGUSRO-LLVKDONJSA-N 2 2 263.345 0.063 20 0 CCADLP CN(C)c1nc(N2CC[N@H+]3CCOC[C@H]3C2)cc[nH+]1 ZINC000347878718 389359981 /nfs/dbraw/zinc/35/99/81/389359981.db2.gz NNYSZBJDEGUSRO-LLVKDONJSA-N 2 2 263.345 0.063 20 0 CCADLP C[NH+]1CCC(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000422742812 389463885 /nfs/dbraw/zinc/46/38/85/389463885.db2.gz QQAJOOBQTUOSRR-CABCVRRESA-N 3 2 267.417 0.685 20 0 CCADLP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422744783 389465087 /nfs/dbraw/zinc/46/50/87/389465087.db2.gz UEKUFHROBQBROZ-KFWWJZLASA-N 3 2 268.449 0.743 20 0 CCADLP C[N@@H+]1CCC[C@@]2(CC[NH+]([C@H]3CCCNC3=O)C2)C1 ZINC000334323997 389465746 /nfs/dbraw/zinc/46/57/46/389465746.db2.gz KBYLYRFPLJNYPO-GXTWGEPZSA-N 2 2 251.374 0.683 20 0 CCADLP C[N@H+]1CCC[C@@]2(CC[NH+]([C@H]3CCCNC3=O)C2)C1 ZINC000334323997 389465751 /nfs/dbraw/zinc/46/57/51/389465751.db2.gz KBYLYRFPLJNYPO-GXTWGEPZSA-N 2 2 251.374 0.683 20 0 CCADLP C[NH+]1CCC[C@@]2(CC[N@@H+]([C@H]3CCCNC3=O)C2)C1 ZINC000334323997 389465755 /nfs/dbraw/zinc/46/57/55/389465755.db2.gz KBYLYRFPLJNYPO-GXTWGEPZSA-N 2 2 251.374 0.683 20 0 CCADLP C[NH+]1CCC[C@@]2(CC[N@H+]([C@H]3CCCNC3=O)C2)C1 ZINC000334323997 389465762 /nfs/dbraw/zinc/46/57/62/389465762.db2.gz KBYLYRFPLJNYPO-GXTWGEPZSA-N 2 2 251.374 0.683 20 0 CCADLP C[C@H]1C[C@H]([NH+](C)CCCS(N)(=O)=O)CC[N@@H+]1C ZINC000172850149 389493725 /nfs/dbraw/zinc/49/37/25/389493725.db2.gz VAKRVCGCLOVCEU-WDEREUQCSA-N 2 2 263.407 0.080 20 0 CCADLP C[C@H]1C[C@H]([NH+](C)CCCS(N)(=O)=O)CC[N@H+]1C ZINC000172850149 389493729 /nfs/dbraw/zinc/49/37/29/389493729.db2.gz VAKRVCGCLOVCEU-WDEREUQCSA-N 2 2 263.407 0.080 20 0 CCADLP C[C@H]1C[C@H]([N@H+](C)CCCS(N)(=O)=O)CC[NH+]1C ZINC000172850149 389493735 /nfs/dbraw/zinc/49/37/35/389493735.db2.gz VAKRVCGCLOVCEU-WDEREUQCSA-N 2 2 263.407 0.080 20 0 CCADLP C[C@H]1C[C@H]([N@@H+](C)CCCS(N)(=O)=O)CC[NH+]1C ZINC000172850149 389493739 /nfs/dbraw/zinc/49/37/39/389493739.db2.gz VAKRVCGCLOVCEU-WDEREUQCSA-N 2 2 263.407 0.080 20 0 CCADLP C[C@H](C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)CN1CCOCC1 ZINC000422756709 389469322 /nfs/dbraw/zinc/46/93/22/389469322.db2.gz HDRXUHAKTWIFSE-RBSFLKMASA-N 2 2 285.432 0.311 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000422770937 389471311 /nfs/dbraw/zinc/47/13/11/389471311.db2.gz QTTVXPGBGRJEHV-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000422770937 389471315 /nfs/dbraw/zinc/47/13/15/389471315.db2.gz QTTVXPGBGRJEHV-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+]1CCC(NC(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000171095725 389472152 /nfs/dbraw/zinc/47/21/52/389472152.db2.gz VXSYAZJZXLLNAQ-UHFFFAOYSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+]1CCC(NC(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000171095725 389472154 /nfs/dbraw/zinc/47/21/54/389472154.db2.gz VXSYAZJZXLLNAQ-UHFFFAOYSA-N 2 2 298.431 0.491 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@H](C)C[NH2+]C ZINC000422823207 389483090 /nfs/dbraw/zinc/48/30/90/389483090.db2.gz CSJCKDUSPUCQJU-CHWSQXEVSA-N 2 2 271.405 0.459 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@H](C)C[NH2+]C ZINC000422823207 389483091 /nfs/dbraw/zinc/48/30/91/389483091.db2.gz CSJCKDUSPUCQJU-CHWSQXEVSA-N 2 2 271.405 0.459 20 0 CCADLP [NH3+]C1(C(=O)N2CC[NH+](C3CC3)CC2)Cc2ccccc2C1 ZINC000164488264 389435166 /nfs/dbraw/zinc/43/51/66/389435166.db2.gz SNVYGBJHPZJVTG-UHFFFAOYSA-N 2 2 285.391 0.789 20 0 CCADLP CN(CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)CC(F)(F)F ZINC000422703832 389455539 /nfs/dbraw/zinc/45/55/39/389455539.db2.gz IZACNZRULXMUAM-NEPJUHHUSA-N 2 2 295.349 0.837 20 0 CCADLP COC(=O)[C@]1(F)CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000272002677 389455840 /nfs/dbraw/zinc/45/58/40/389455840.db2.gz RVPFEFCFFRGVHA-LBPRGKRZSA-N 2 2 255.293 0.860 20 0 CCADLP COC(=O)[C@]1(F)CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000272002677 389455846 /nfs/dbraw/zinc/45/58/46/389455846.db2.gz RVPFEFCFFRGVHA-LBPRGKRZSA-N 2 2 255.293 0.860 20 0 CCADLP CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422708380 389456119 /nfs/dbraw/zinc/45/61/19/389456119.db2.gz BWJHQOLBHKFXNT-JYJNAYRXSA-N 3 2 282.476 0.990 20 0 CCADLP C[C@H]([NH2+]CCN1CCOC[C@@H]1C)[C@H]1CCCC[NH2+]1 ZINC000422711254 389456379 /nfs/dbraw/zinc/45/63/79/389456379.db2.gz GUTYHQJPMRRVPL-MELADBBJSA-N 2 2 255.406 0.827 20 0 CCADLP C[NH2+][C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000422718351 389458735 /nfs/dbraw/zinc/45/87/35/389458735.db2.gz WZURQLKCRBMWMA-ZIAGYGMSSA-N 2 2 281.400 0.308 20 0 CCADLP C[NH2+][C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000422718351 389458741 /nfs/dbraw/zinc/45/87/41/389458741.db2.gz WZURQLKCRBMWMA-ZIAGYGMSSA-N 2 2 281.400 0.308 20 0 CCADLP CCNC(=O)C(C)(C)C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422969380 389512100 /nfs/dbraw/zinc/51/21/00/389512100.db2.gz UHKHKPMTJQJNNM-VXGBXAGGSA-N 2 2 271.405 0.505 20 0 CCADLP CC[N@H+](C)C[C@H]1CC[NH+](CCNS(=O)(=O)CC)C1 ZINC000173924442 389512285 /nfs/dbraw/zinc/51/22/85/389512285.db2.gz FCRCWDIJWKPEGZ-GFCCVEGCSA-N 2 2 277.434 0.199 20 0 CCADLP CC[N@@H+](C)C[C@H]1CC[NH+](CCNS(=O)(=O)CC)C1 ZINC000173924442 389512289 /nfs/dbraw/zinc/51/22/89/389512289.db2.gz FCRCWDIJWKPEGZ-GFCCVEGCSA-N 2 2 277.434 0.199 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@H+](CCNS(=O)(=O)CC)C1 ZINC000173924442 389512293 /nfs/dbraw/zinc/51/22/93/389512293.db2.gz FCRCWDIJWKPEGZ-GFCCVEGCSA-N 2 2 277.434 0.199 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@@H+](CCNS(=O)(=O)CC)C1 ZINC000173924442 389512296 /nfs/dbraw/zinc/51/22/96/389512296.db2.gz FCRCWDIJWKPEGZ-GFCCVEGCSA-N 2 2 277.434 0.199 20 0 CCADLP Cc1cc(CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)cc(C)[nH+]1 ZINC000422974102 389513519 /nfs/dbraw/zinc/51/35/19/389513519.db2.gz QKKUILOXBZIYAV-LBPRGKRZSA-N 2 2 290.367 0.135 20 0 CCADLP CCc1nn(C)c(OC)c1C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000422991565 389518411 /nfs/dbraw/zinc/51/84/11/389518411.db2.gz OUHDIIHYXDHCGP-RYUDHWBXSA-N 2 2 296.415 0.848 20 0 CCADLP CNC(=O)[C@@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000334996404 389519220 /nfs/dbraw/zinc/51/92/20/389519220.db2.gz YFJSQIFRTWZIJQ-LLVKDONJSA-N 2 2 258.325 0.902 20 0 CCADLP CNC(=O)[C@@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000334996404 389519225 /nfs/dbraw/zinc/51/92/25/389519225.db2.gz YFJSQIFRTWZIJQ-LLVKDONJSA-N 2 2 258.325 0.902 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1)[C@@H]1CCC[NH2+]1 ZINC000423012112 389522364 /nfs/dbraw/zinc/52/23/64/389522364.db2.gz CKYOSVOZIYQEGS-CYDGBPFRSA-N 2 2 269.389 0.352 20 0 CCADLP C[NH+]1CCC(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000174462330 389523346 /nfs/dbraw/zinc/52/33/46/389523346.db2.gz WVYSIWJUTGEGNO-UHFFFAOYSA-N 2 2 283.416 0.555 20 0 CCADLP C[NH+]1CCC(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000174462330 389523350 /nfs/dbraw/zinc/52/33/50/389523350.db2.gz WVYSIWJUTGEGNO-UHFFFAOYSA-N 2 2 283.416 0.555 20 0 CCADLP CC1=CC[N@H+](CCN[C@@H](C)C[C@H]2COCC[NH2+]2)CC1 ZINC000423036810 389525061 /nfs/dbraw/zinc/52/50/61/389525061.db2.gz LQUGMYOIQOTPQP-GJZGRUSLSA-N 2 2 267.417 0.995 20 0 CCADLP CC1=CC[N@@H+](CCN[C@@H](C)C[C@H]2COCC[NH2+]2)CC1 ZINC000423036810 389525063 /nfs/dbraw/zinc/52/50/63/389525063.db2.gz LQUGMYOIQOTPQP-GJZGRUSLSA-N 2 2 267.417 0.995 20 0 CCADLP CC1=CCN(CC[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)CC1 ZINC000423036810 389525064 /nfs/dbraw/zinc/52/50/64/389525064.db2.gz LQUGMYOIQOTPQP-GJZGRUSLSA-N 2 2 267.417 0.995 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1CN[C@@H]1CC[NH2+][C@H]1C(=O)OCC ZINC000423108843 389536078 /nfs/dbraw/zinc/53/60/78/389536078.db2.gz MTTHOZVWNIZNPP-BFHYXJOUSA-N 2 2 283.416 0.744 20 0 CCADLP CCC[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH2+][C@H]1C(=O)OCC ZINC000423108843 389536082 /nfs/dbraw/zinc/53/60/82/389536082.db2.gz MTTHOZVWNIZNPP-BFHYXJOUSA-N 2 2 283.416 0.744 20 0 CCADLP O=C(Cc1ccccc1)N1CC[C@@H]([NH2+][C@H]2CC[NH2+]C2)C1 ZINC000423113097 389536501 /nfs/dbraw/zinc/53/65/01/389536501.db2.gz YJWXIWHFZUUQGG-LSDHHAIUSA-N 2 2 273.380 0.782 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423347539 389570198 /nfs/dbraw/zinc/57/01/98/389570198.db2.gz ROERNKKZXGMERQ-RDBSUJKOSA-N 3 2 255.406 0.733 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](CO)CC1CCC1 ZINC000423127781 389538957 /nfs/dbraw/zinc/53/89/57/389538957.db2.gz KATKJBBXGVKGEZ-MRVWCRGKSA-N 2 2 256.390 0.894 20 0 CCADLP OCC[N@@H+]1CCCC[C@@H]1CN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423142403 389541473 /nfs/dbraw/zinc/54/14/73/389541473.db2.gz AJPDQAKVAWAIRU-PMPSAXMXSA-N 2 2 297.443 0.190 20 0 CCADLP OCC[N@H+]1CCCC[C@@H]1CN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423142403 389541479 /nfs/dbraw/zinc/54/14/79/389541479.db2.gz AJPDQAKVAWAIRU-PMPSAXMXSA-N 2 2 297.443 0.190 20 0 CCADLP OCCN1CCCC[C@@H]1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423142403 389541483 /nfs/dbraw/zinc/54/14/83/389541483.db2.gz AJPDQAKVAWAIRU-PMPSAXMXSA-N 2 2 297.443 0.190 20 0 CCADLP [NH3+]CC1CCC([NH2+][C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000423144958 389543582 /nfs/dbraw/zinc/54/35/82/389543582.db2.gz IMBQSIGNMHHWAJ-NRXISQOPSA-N 3 2 269.433 0.940 20 0 CCADLP [NH3+]CC1CCC([NH2+][C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000423144958 389543584 /nfs/dbraw/zinc/54/35/84/389543584.db2.gz IMBQSIGNMHHWAJ-NRXISQOPSA-N 3 2 269.433 0.940 20 0 CCADLP C[C@H](CCO)CC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423146263 389543700 /nfs/dbraw/zinc/54/37/00/389543700.db2.gz OYUREFDTAVJGOJ-IACUBPJLSA-N 2 2 256.390 0.752 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000423156149 389546135 /nfs/dbraw/zinc/54/61/35/389546135.db2.gz RWGPQAOWOFGAPG-MQYQWHSLSA-N 2 2 253.390 0.437 20 0 CCADLP C[C@@H]1CC[C@H](C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)O1 ZINC000423168604 389547668 /nfs/dbraw/zinc/54/76/68/389547668.db2.gz USWJAOIKQNGCLQ-ZRJCITRHSA-N 2 2 254.374 0.911 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCC[N@H+]1CCCC1(C)C ZINC000423170333 389548297 /nfs/dbraw/zinc/54/82/97/389548297.db2.gz XTXGBPQWZKEBFQ-CHWSQXEVSA-N 2 2 283.416 0.744 20 0 CCADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000335312389 389548610 /nfs/dbraw/zinc/54/86/10/389548610.db2.gz VQKHJHBHEHDFCB-JQWIXIFHSA-N 2 2 273.327 0.586 20 0 CCADLP C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000423330399 389567180 /nfs/dbraw/zinc/56/71/80/389567180.db2.gz NQMNJBYDBMIUKC-PWSUYJOCSA-N 2 2 282.413 0.991 20 0 CCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000423330399 389567183 /nfs/dbraw/zinc/56/71/83/389567183.db2.gz NQMNJBYDBMIUKC-PWSUYJOCSA-N 2 2 282.413 0.991 20 0 CCADLP CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@@H]1CCC[N@@H+](C)C1 ZINC000373582276 389498171 /nfs/dbraw/zinc/49/81/71/389498171.db2.gz MHDMXGYCRGMEES-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422883506 389498613 /nfs/dbraw/zinc/49/86/13/389498613.db2.gz VDLHEWUYDSAZBD-KKUMJFAQSA-N 3 2 296.459 0.646 20 0 CCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422883506 389498616 /nfs/dbraw/zinc/49/86/16/389498616.db2.gz VDLHEWUYDSAZBD-KKUMJFAQSA-N 3 2 296.459 0.646 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000422882456 389498639 /nfs/dbraw/zinc/49/86/39/389498639.db2.gz SHTLLHMHMWPKIL-IHRRRGAJSA-N 3 2 284.448 0.645 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000422882456 389498644 /nfs/dbraw/zinc/49/86/44/389498644.db2.gz SHTLLHMHMWPKIL-IHRRRGAJSA-N 3 2 284.448 0.645 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000422891383 389501335 /nfs/dbraw/zinc/50/13/35/389501335.db2.gz VFQMVBFYKCLKPE-MJBXVCDLSA-N 3 2 282.432 0.433 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000422891383 389501339 /nfs/dbraw/zinc/50/13/39/389501339.db2.gz VFQMVBFYKCLKPE-MJBXVCDLSA-N 3 2 282.432 0.433 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCC[N@H+](C)[C@H](C)CC ZINC000422905400 389503737 /nfs/dbraw/zinc/50/37/37/389503737.db2.gz IHHLFOYSCAQAPB-JHJVBQTASA-N 2 2 271.405 0.600 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCC[N@@H+](C)[C@H](C)CC ZINC000422905400 389503741 /nfs/dbraw/zinc/50/37/41/389503741.db2.gz IHHLFOYSCAQAPB-JHJVBQTASA-N 2 2 271.405 0.600 20 0 CCADLP CCNC(=O)C[NH+]1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000351614517 389634998 /nfs/dbraw/zinc/63/49/98/389634998.db2.gz HAOIHWYAZKGHED-OAHLLOKOSA-N 2 2 296.459 0.615 20 0 CCADLP CCNC(=O)C[NH+]1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000351614517 389635002 /nfs/dbraw/zinc/63/50/02/389635002.db2.gz HAOIHWYAZKGHED-OAHLLOKOSA-N 2 2 296.459 0.615 20 0 CCADLP COCCO[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351621526 389637290 /nfs/dbraw/zinc/63/72/90/389637290.db2.gz QCLDXOMSPPHFME-KGLIPLIRSA-N 2 2 272.389 0.179 20 0 CCADLP COCCO[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351621526 389637291 /nfs/dbraw/zinc/63/72/91/389637291.db2.gz QCLDXOMSPPHFME-KGLIPLIRSA-N 2 2 272.389 0.179 20 0 CCADLP COCCO[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000351621526 389637294 /nfs/dbraw/zinc/63/72/94/389637294.db2.gz QCLDXOMSPPHFME-KGLIPLIRSA-N 2 2 272.389 0.179 20 0 CCADLP COCCO[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351621526 389637296 /nfs/dbraw/zinc/63/72/96/389637296.db2.gz QCLDXOMSPPHFME-KGLIPLIRSA-N 2 2 272.389 0.179 20 0 CCADLP O[C@H](Cn1cccn1)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000375086078 389637533 /nfs/dbraw/zinc/63/75/33/389637533.db2.gz YLYJJDFPNCBSFT-DZGCQCFKSA-N 2 2 288.351 0.792 20 0 CCADLP COCCn1cc(C[NH2+][C@@H](C[NH3+])CC(C)C)cn1 ZINC000414831563 389639164 /nfs/dbraw/zinc/63/91/64/389639164.db2.gz CMMFJFKIGVEJCF-CYBMUJFWSA-N 2 2 254.378 0.993 20 0 CCADLP COCC[NH2+]CC[NH2+]Cc1ccc2c(c1)nnn2C ZINC000414887716 389643299 /nfs/dbraw/zinc/64/32/99/389643299.db2.gz REOZZKJIFOZWJF-UHFFFAOYSA-N 2 2 263.345 0.294 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)C[C@H]1C ZINC000423398404 389579269 /nfs/dbraw/zinc/57/92/69/389579269.db2.gz VIRHIDVWHGLIGT-MJBXVCDLSA-N 2 2 283.416 0.554 20 0 CCADLP COCC[N@H+]1CCN(C(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)C[C@H]1C ZINC000423398404 389579273 /nfs/dbraw/zinc/57/92/73/389579273.db2.gz VIRHIDVWHGLIGT-MJBXVCDLSA-N 2 2 283.416 0.554 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@@H](C[NH3+])C1CCCC1 ZINC000423496828 389595027 /nfs/dbraw/zinc/59/50/27/389595027.db2.gz FMNGSHKQCLSQMI-FRRDWIJNSA-N 2 2 269.389 0.387 20 0 CCADLP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423496828 389595031 /nfs/dbraw/zinc/59/50/31/389595031.db2.gz FMNGSHKQCLSQMI-FRRDWIJNSA-N 2 2 269.389 0.387 20 0 CCADLP CCC[C@H]1C[NH2+]CCN1C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000423510570 389597934 /nfs/dbraw/zinc/59/79/34/389597934.db2.gz MOWHHDLCZGKSTM-KBPBESRZSA-N 2 2 282.432 0.223 20 0 CCADLP C(C[NH2+]C1CC1)C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423524467 389599611 /nfs/dbraw/zinc/59/96/11/389599611.db2.gz JLQWRIKPSHAMOB-RBSFLKMASA-N 3 2 267.417 0.875 20 0 CCADLP COC(=O)c1cc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c[nH]1 ZINC000414930735 389646241 /nfs/dbraw/zinc/64/62/41/389646241.db2.gz PEOSVFCLSMZIFX-CABZTGNLSA-N 2 2 251.330 0.889 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000423535469 389601622 /nfs/dbraw/zinc/60/16/22/389601622.db2.gz XSDRISADICVCAT-KCQAQPDRSA-N 2 2 295.427 0.826 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000423535469 389601630 /nfs/dbraw/zinc/60/16/30/389601630.db2.gz XSDRISADICVCAT-KCQAQPDRSA-N 2 2 295.427 0.826 20 0 CCADLP C[C@@H](CNC(=O)[C@@H](c1c[nH+]cn1C)N(C)C)[N@H+](C)C1CC1 ZINC000281046060 389607745 /nfs/dbraw/zinc/60/77/45/389607745.db2.gz WWQXXVGKWMLJTB-SMDDNHRTSA-N 2 2 293.415 0.622 20 0 CCADLP C[C@@H](CNC(=O)[C@@H](c1c[nH+]cn1C)N(C)C)[N@@H+](C)C1CC1 ZINC000281046060 389607748 /nfs/dbraw/zinc/60/77/48/389607748.db2.gz WWQXXVGKWMLJTB-SMDDNHRTSA-N 2 2 293.415 0.622 20 0 CCADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1ccnn1-c1ccccc1 ZINC000414970302 389649634 /nfs/dbraw/zinc/64/96/34/389649634.db2.gz GKMYQTVQNIFTFP-INIZCTEOSA-N 2 2 285.395 0.866 20 0 CCADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414976214 389650552 /nfs/dbraw/zinc/65/05/52/389650552.db2.gz NQDZLINQMIZKQT-ILXRZTDVSA-N 3 2 268.449 0.790 20 0 CCADLP CC[C@H]([NH3+])C[NH2+]Cc1c(C)nn(CCC(=O)OC)c1C ZINC000414986616 389651777 /nfs/dbraw/zinc/65/17/77/389651777.db2.gz XWPVAZQLFZNZPR-LBPRGKRZSA-N 2 2 282.388 0.890 20 0 CCADLP Cc1nn(-c2ccccc2)cc1C[N@H+](C)C[C@H](O)C[NH3+] ZINC000415053517 389654592 /nfs/dbraw/zinc/65/45/92/389654592.db2.gz KDDPYRFDAVRJTO-OAHLLOKOSA-N 2 2 274.368 0.932 20 0 CCADLP Cc1nn(-c2ccccc2)cc1C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000415053517 389654595 /nfs/dbraw/zinc/65/45/95/389654595.db2.gz KDDPYRFDAVRJTO-OAHLLOKOSA-N 2 2 274.368 0.932 20 0 CCADLP Cc1ccc(NC[C@@H]2CCCN(C(=O)C[NH3+])C2)c[nH+]1 ZINC000415079444 389656045 /nfs/dbraw/zinc/65/60/45/389656045.db2.gz HWWYRJMVVPSQLR-LBPRGKRZSA-N 2 2 262.357 0.999 20 0 CCADLP Cc1cc(N2CC[C@H]([NH2+]C[C@@H]([NH3+])CC(C)C)C2=O)n(C)n1 ZINC000415086335 389656696 /nfs/dbraw/zinc/65/66/96/389656696.db2.gz UJUWTURCNQDUOL-STQMWFEESA-N 2 2 293.415 0.797 20 0 CCADLP [NH3+]CC(F)(F)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000375296711 389662495 /nfs/dbraw/zinc/66/24/95/389662495.db2.gz FLEILQAEHHKYFX-LBPRGKRZSA-N 2 2 298.337 0.756 20 0 CCADLP [NH3+]CC(F)(F)CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000375296711 389662499 /nfs/dbraw/zinc/66/24/99/389662499.db2.gz FLEILQAEHHKYFX-LBPRGKRZSA-N 2 2 298.337 0.756 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](O)C(F)(F)F)C2)CC1 ZINC000181694944 389691494 /nfs/dbraw/zinc/69/14/94/389691494.db2.gz DAMUDPDAGLQUEV-NEPJUHHUSA-N 2 2 295.349 0.621 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](O)C(F)(F)F)C2)CC1 ZINC000181694944 389691496 /nfs/dbraw/zinc/69/14/96/389691496.db2.gz DAMUDPDAGLQUEV-NEPJUHHUSA-N 2 2 295.349 0.621 20 0 CCADLP C[NH+](C)CCC[NH2+][C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000182191648 389703206 /nfs/dbraw/zinc/70/32/06/389703206.db2.gz BWLMVGVNFRRMIS-NWDGAFQWSA-N 2 2 262.419 0.884 20 0 CCADLP CC[N@@H+]1CC[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000351883636 389707058 /nfs/dbraw/zinc/70/70/58/389707058.db2.gz YYWYGCCNYPMPQX-LLVKDONJSA-N 2 2 250.346 0.800 20 0 CCADLP CC[N@H+]1CC[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000351883636 389707063 /nfs/dbraw/zinc/70/70/63/389707063.db2.gz YYWYGCCNYPMPQX-LLVKDONJSA-N 2 2 250.346 0.800 20 0 CCADLP C[NH+](C)[C@H]1CCCN(CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000429671989 389764451 /nfs/dbraw/zinc/76/44/51/389764451.db2.gz PUVXQFQTGHIAKE-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP CN(C)[C@H]1CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000429671989 389764452 /nfs/dbraw/zinc/76/44/52/389764452.db2.gz PUVXQFQTGHIAKE-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP CN(C)[C@H]1CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000429671989 389764454 /nfs/dbraw/zinc/76/44/54/389764454.db2.gz PUVXQFQTGHIAKE-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000352178257 389765790 /nfs/dbraw/zinc/76/57/90/389765790.db2.gz LFKYHQWFJRYADM-ZIAGYGMSSA-N 2 2 285.432 0.990 20 0 CCADLP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000429790897 389771144 /nfs/dbraw/zinc/77/11/44/389771144.db2.gz SGGVSDGHWOKNOD-VXGBXAGGSA-N 2 2 250.346 0.778 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000416816896 389773627 /nfs/dbraw/zinc/77/36/27/389773627.db2.gz JOACFZDTDGLZCH-NSHDSACASA-N 2 2 272.393 0.134 20 0 CCADLP CC(C)(C[NH3+])NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000416827316 389774326 /nfs/dbraw/zinc/77/43/26/389774326.db2.gz NGWHCRCOQNFAGQ-UHFFFAOYSA-N 2 2 272.393 0.134 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)COCCOC ZINC000394387840 389775734 /nfs/dbraw/zinc/77/57/34/389775734.db2.gz IFIUDBWDHGILCL-ILXRZTDVSA-N 2 2 286.416 0.569 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)COCCOC ZINC000394387840 389775737 /nfs/dbraw/zinc/77/57/37/389775737.db2.gz IFIUDBWDHGILCL-ILXRZTDVSA-N 2 2 286.416 0.569 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)COCCOC ZINC000394387840 389775739 /nfs/dbraw/zinc/77/57/39/389775739.db2.gz IFIUDBWDHGILCL-ILXRZTDVSA-N 2 2 286.416 0.569 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)COCCOC ZINC000394387840 389775743 /nfs/dbraw/zinc/77/57/43/389775743.db2.gz IFIUDBWDHGILCL-ILXRZTDVSA-N 2 2 286.416 0.569 20 0 CCADLP C[C@]1(CNC(=O)NCCn2cc[nH+]c2)CCC[NH2+]C1 ZINC000416861122 389776870 /nfs/dbraw/zinc/77/68/70/389776870.db2.gz WOIPWGYXPGLCGL-ZDUSSCGKSA-N 2 2 265.361 0.572 20 0 CCADLP COCC[NH2+]CCNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000416874356 389778388 /nfs/dbraw/zinc/77/83/88/389778388.db2.gz RWUKIZAVRSQTQD-UHFFFAOYSA-N 2 2 291.355 0.370 20 0 CCADLP [NH3+]CC(F)(F)CNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000416957275 389784341 /nfs/dbraw/zinc/78/43/41/389784341.db2.gz YUJMPELUVYIJAQ-UHFFFAOYSA-N 2 2 297.309 0.770 20 0 CCADLP CC(C)(CNC(=O)[C@@H]([NH3+])C1CCC1)[NH+]1CCOCC1 ZINC000399001932 389787967 /nfs/dbraw/zinc/78/79/67/389787967.db2.gz SVZRSNNONIHZSP-LBPRGKRZSA-N 2 2 269.389 0.341 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000352316824 389789306 /nfs/dbraw/zinc/78/93/06/389789306.db2.gz YCEUXOZREHQCGH-YUELXQCFSA-N 2 2 293.411 0.308 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)NCC1([NH3+])CCC1 ZINC000417017291 389790151 /nfs/dbraw/zinc/79/01/51/389790151.db2.gz OWUHBJGMWLGKLJ-UHFFFAOYSA-N 2 2 277.372 0.828 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000417018775 389790185 /nfs/dbraw/zinc/79/01/85/389790185.db2.gz QIZNNUQPUSGKFV-LLVKDONJSA-N 2 2 279.388 0.945 20 0 CCADLP [NH3+][C@@H]1CCN(C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000417081964 389794217 /nfs/dbraw/zinc/79/42/17/389794217.db2.gz QLEQGWCAGQHZHP-LLVKDONJSA-N 2 2 263.345 0.626 20 0 CCADLP C[C@@H](NC(=O)NCCCNc1cccc[nH+]1)[C@H](C)[NH3+] ZINC000417082121 389794759 /nfs/dbraw/zinc/79/47/59/389794759.db2.gz RCUJKFXPITWORQ-WDEREUQCSA-N 2 2 265.361 0.919 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H](C)C[N@@H+]1C ZINC000351985825 389731025 /nfs/dbraw/zinc/73/10/25/389731025.db2.gz BNIMWPARLUUBOE-FRRDWIJNSA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H](C)C[N@H+]1C ZINC000351985825 389731027 /nfs/dbraw/zinc/73/10/27/389731027.db2.gz BNIMWPARLUUBOE-FRRDWIJNSA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000400449755 389797399 /nfs/dbraw/zinc/79/73/99/389797399.db2.gz QNJPAMMAWWAMJA-KGLIPLIRSA-N 3 2 268.449 0.743 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000377196535 389745584 /nfs/dbraw/zinc/74/55/84/389745584.db2.gz JIYJUJKYMABQMD-OCCSQVGLSA-N 3 2 280.416 0.023 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000377196535 389745586 /nfs/dbraw/zinc/74/55/86/389745586.db2.gz JIYJUJKYMABQMD-OCCSQVGLSA-N 3 2 280.416 0.023 20 0 CCADLP Cn1cc(N2CC[C@H]([N@H+](C)CC(C)(C)C[NH3+])C2=O)cn1 ZINC000430564863 389807802 /nfs/dbraw/zinc/80/78/02/389807802.db2.gz CYAIDBXSBVHKQI-LBPRGKRZSA-N 2 2 279.388 0.442 20 0 CCADLP Cn1cc(N2CC[C@H]([N@@H+](C)CC(C)(C)C[NH3+])C2=O)cn1 ZINC000430564863 389807804 /nfs/dbraw/zinc/80/78/04/389807804.db2.gz CYAIDBXSBVHKQI-LBPRGKRZSA-N 2 2 279.388 0.442 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000430568564 389808303 /nfs/dbraw/zinc/80/83/03/389808303.db2.gz HMMHFSOLYWWHMS-ZIAGYGMSSA-N 3 2 296.459 0.646 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000430568564 389808307 /nfs/dbraw/zinc/80/83/07/389808307.db2.gz HMMHFSOLYWWHMS-ZIAGYGMSSA-N 3 2 296.459 0.646 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000430575809 389809397 /nfs/dbraw/zinc/80/93/97/389809397.db2.gz AHSVJRNSKUOWRZ-ZIAGYGMSSA-N 2 2 293.415 0.831 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000430575809 389809400 /nfs/dbraw/zinc/80/94/00/389809400.db2.gz AHSVJRNSKUOWRZ-ZIAGYGMSSA-N 2 2 293.415 0.831 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCC([NH3+])CC1 ZINC000430608539 389811924 /nfs/dbraw/zinc/81/19/24/389811924.db2.gz FTXJWPVHTNJCII-VIFPVBQESA-N 2 2 256.350 0.032 20 0 CCADLP C[NH2+][C@H]1CCCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000417427331 389814692 /nfs/dbraw/zinc/81/46/92/389814692.db2.gz PSIZVIYWODJBJD-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH2+][C@H]1CCCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000417427331 389814694 /nfs/dbraw/zinc/81/46/94/389814694.db2.gz PSIZVIYWODJBJD-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)COC1C[NH2+]C1 ZINC000430688341 389817011 /nfs/dbraw/zinc/81/70/11/389817011.db2.gz WTFDOLYJTBETKC-UHFFFAOYSA-N 2 2 288.351 0.449 20 0 CCADLP COCC[C@@]1(C(=O)NCc2[nH]cc[nH+]2)CC[NH2+]C1 ZINC000430720681 389820199 /nfs/dbraw/zinc/82/01/99/389820199.db2.gz ALQXHAVMMVOISQ-LBPRGKRZSA-N 2 2 252.318 0.042 20 0 CCADLP COCC[C@@]1(C(=O)NCCc2[nH]cc[nH+]2)CC[NH2+]C1 ZINC000430728502 389821420 /nfs/dbraw/zinc/82/14/20/389821420.db2.gz KWWSBDOIKDATHZ-ZDUSSCGKSA-N 2 2 266.345 0.085 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000417499580 389821534 /nfs/dbraw/zinc/82/15/34/389821534.db2.gz FKZAUVBJNQPEAF-RDBSUJKOSA-N 2 2 298.431 0.524 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000417499580 389821535 /nfs/dbraw/zinc/82/15/35/389821535.db2.gz FKZAUVBJNQPEAF-RDBSUJKOSA-N 2 2 298.431 0.524 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000417506763 389822578 /nfs/dbraw/zinc/82/25/78/389822578.db2.gz OFCANVUBOFVKCX-QWHCGFSZSA-N 2 2 298.431 0.524 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000417506763 389822581 /nfs/dbraw/zinc/82/25/81/389822581.db2.gz OFCANVUBOFVKCX-QWHCGFSZSA-N 2 2 298.431 0.524 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000430759305 389823110 /nfs/dbraw/zinc/82/31/10/389823110.db2.gz XPIWPPMXFSHUEM-CYBMUJFWSA-N 2 2 292.383 0.532 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCCC[NH2+]C1CC1 ZINC000417517078 389824874 /nfs/dbraw/zinc/82/48/74/389824874.db2.gz PPWVAJDMIONWSQ-LBPRGKRZSA-N 2 2 284.404 0.148 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCCC[NH2+]C1CC1 ZINC000417517078 389824880 /nfs/dbraw/zinc/82/48/80/389824880.db2.gz PPWVAJDMIONWSQ-LBPRGKRZSA-N 2 2 284.404 0.148 20 0 CCADLP C[C@@H]1CCN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)C[C@H]1C[NH3+] ZINC000417517462 389825394 /nfs/dbraw/zinc/82/53/94/389825394.db2.gz QGUMXARLTMGJBL-MGPQQGTHSA-N 2 2 298.431 0.333 20 0 CCADLP C[C@@H]1CCN(C(=O)NCC[N@H+]2CCOC[C@H]2C)C[C@H]1C[NH3+] ZINC000417517462 389825397 /nfs/dbraw/zinc/82/53/97/389825397.db2.gz QGUMXARLTMGJBL-MGPQQGTHSA-N 2 2 298.431 0.333 20 0 CCADLP C[C@@H](C[NH3+])N(C)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000417517015 389825445 /nfs/dbraw/zinc/82/54/45/389825445.db2.gz IFGWZXOIKAHTEE-SRVKXCTJSA-N 2 2 272.393 0.084 20 0 CCADLP C[C@H](NC(=O)NC(C)(C)C[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000417524496 389825844 /nfs/dbraw/zinc/82/58/44/389825844.db2.gz SKQARNPIYMNIFQ-QWRGUYRKSA-N 2 2 272.393 0.132 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N(C)CC(C)(C)C[NH3+] ZINC000417531828 389827930 /nfs/dbraw/zinc/82/79/30/389827930.db2.gz UXHVRSMRYCIRNI-GFCCVEGCSA-N 2 2 286.420 0.333 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N(C)CC(C)(C)C[NH3+] ZINC000417531828 389827934 /nfs/dbraw/zinc/82/79/34/389827934.db2.gz UXHVRSMRYCIRNI-GFCCVEGCSA-N 2 2 286.420 0.333 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000430884820 389831485 /nfs/dbraw/zinc/83/14/85/389831485.db2.gz YCRJLWZNFRXMTE-DZGCQCFKSA-N 2 2 291.395 0.393 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000430884820 389831488 /nfs/dbraw/zinc/83/14/88/389831488.db2.gz YCRJLWZNFRXMTE-DZGCQCFKSA-N 2 2 291.395 0.393 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCOC[C@]12CCOC2 ZINC000441365428 389831636 /nfs/dbraw/zinc/83/16/36/389831636.db2.gz PUAHHOHEUCTPRP-CYBMUJFWSA-N 2 2 251.330 0.683 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCOC[C@]12CCOC2 ZINC000441365428 389831638 /nfs/dbraw/zinc/83/16/38/389831638.db2.gz PUAHHOHEUCTPRP-CYBMUJFWSA-N 2 2 251.330 0.683 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430925671 389836113 /nfs/dbraw/zinc/83/61/13/389836113.db2.gz LUKSKPYEFRYHIV-NEPJUHHUSA-N 2 2 262.419 0.869 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430925671 389836115 /nfs/dbraw/zinc/83/61/15/389836115.db2.gz LUKSKPYEFRYHIV-NEPJUHHUSA-N 2 2 262.419 0.869 20 0 CCADLP CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000430930170 389836669 /nfs/dbraw/zinc/83/66/69/389836669.db2.gz ZXQWVHYWRGCEHQ-LBPRGKRZSA-N 2 2 290.367 0.864 20 0 CCADLP CC(=O)Nc1cccc(NC(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000430930170 389836672 /nfs/dbraw/zinc/83/66/72/389836672.db2.gz ZXQWVHYWRGCEHQ-LBPRGKRZSA-N 2 2 290.367 0.864 20 0 CCADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000430939026 389837528 /nfs/dbraw/zinc/83/75/28/389837528.db2.gz JZKOZQNFALVZFB-JTQLQIEISA-N 2 2 251.374 0.572 20 0 CCADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000430939026 389837530 /nfs/dbraw/zinc/83/75/30/389837530.db2.gz JZKOZQNFALVZFB-JTQLQIEISA-N 2 2 251.374 0.572 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(C[NH2+]C)CC2)CC1 ZINC000430948815 389838311 /nfs/dbraw/zinc/83/83/11/389838311.db2.gz ADFDMKGPAISWSI-CQSZACIVSA-N 3 2 296.459 0.470 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C1 ZINC000430957189 389839851 /nfs/dbraw/zinc/83/98/51/389839851.db2.gz RDMCWZKTYOJMME-SOUVJXGZSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C1 ZINC000430957189 389839853 /nfs/dbraw/zinc/83/98/53/389839853.db2.gz RDMCWZKTYOJMME-SOUVJXGZSA-N 2 2 295.427 0.698 20 0 CCADLP Cc1cc(N2CC[C@H]([N@H+]3CC[C@H]([NH3+])[C@@H](C)C3)C2=O)n(C)n1 ZINC000430960577 389840981 /nfs/dbraw/zinc/84/09/81/389840981.db2.gz KGCVXEXCDKEWSW-DRZSPHRISA-N 2 2 291.399 0.503 20 0 CCADLP Cc1cc(N2CC[C@H]([N@@H+]3CC[C@H]([NH3+])[C@@H](C)C3)C2=O)n(C)n1 ZINC000430960577 389840984 /nfs/dbraw/zinc/84/09/84/389840984.db2.gz KGCVXEXCDKEWSW-DRZSPHRISA-N 2 2 291.399 0.503 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430960467 389841055 /nfs/dbraw/zinc/84/10/55/389841055.db2.gz JKIBNSMNSRXRAD-FXPVBKGRSA-N 2 2 268.361 0.032 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430960467 389841059 /nfs/dbraw/zinc/84/10/59/389841059.db2.gz JKIBNSMNSRXRAD-FXPVBKGRSA-N 2 2 268.361 0.032 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)CC1 ZINC000430973318 389842511 /nfs/dbraw/zinc/84/25/11/389842511.db2.gz WXRSAIKEKWBGIT-RDBSUJKOSA-N 3 2 282.432 0.208 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)CC1 ZINC000430973318 389842514 /nfs/dbraw/zinc/84/25/14/389842514.db2.gz WXRSAIKEKWBGIT-RDBSUJKOSA-N 3 2 282.432 0.208 20 0 CCADLP C[NH2+]CC(=O)NC1(c2noc(C[NH+](C)C)n2)CCCC1 ZINC000431036946 389847365 /nfs/dbraw/zinc/84/73/65/389847365.db2.gz HUFXXJSCUHRUGA-UHFFFAOYSA-N 2 2 281.360 0.236 20 0 CCADLP COc1coc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1=O ZINC000442759166 389861638 /nfs/dbraw/zinc/86/16/38/389861638.db2.gz QIBFKQOSLRGFAO-VHSXEESVSA-N 2 2 252.314 0.818 20 0 CCADLP COc1coc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1=O ZINC000442759166 389861640 /nfs/dbraw/zinc/86/16/40/389861640.db2.gz QIBFKQOSLRGFAO-VHSXEESVSA-N 2 2 252.314 0.818 20 0 CCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000442771287 389862136 /nfs/dbraw/zinc/86/21/36/389862136.db2.gz ZJKJVVVCMQZYHI-MDZLAQPJSA-N 2 2 277.372 0.195 20 0 CCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000442771287 389862137 /nfs/dbraw/zinc/86/21/37/389862137.db2.gz ZJKJVVVCMQZYHI-MDZLAQPJSA-N 2 2 277.372 0.195 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)n(C)n1 ZINC000442764756 389862214 /nfs/dbraw/zinc/86/22/14/389862214.db2.gz GNHVKNBQQQPCQT-QWRGUYRKSA-N 2 2 265.361 0.336 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)n(C)n1 ZINC000442764756 389862217 /nfs/dbraw/zinc/86/22/17/389862217.db2.gz GNHVKNBQQQPCQT-QWRGUYRKSA-N 2 2 265.361 0.336 20 0 CCADLP C[NH+](C)CC(=O)N1CC[C@@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000442834511 389864834 /nfs/dbraw/zinc/86/48/34/389864834.db2.gz XBPWNKCOXHITLL-OAHLLOKOSA-N 2 2 299.415 0.470 20 0 CCADLP Cc1nc2[nH]ccc2c(NC[C@](C)(O)C[NH+](C)C)[nH+]1 ZINC000443702144 389883531 /nfs/dbraw/zinc/88/35/31/389883531.db2.gz AMFSMRLVBLYOSP-ZDUSSCGKSA-N 2 2 263.345 0.413 20 0 CCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444183128 389895915 /nfs/dbraw/zinc/89/59/15/389895915.db2.gz MUGQYNGMCOJUDD-XJKSGUPXSA-N 2 2 288.395 0.878 20 0 CCADLP C[C@H]1CN(C(=O)c2coc(C[NH3+])c2)C[C@@H]1[NH+]1CCOCC1 ZINC000444270664 389898725 /nfs/dbraw/zinc/89/87/25/389898725.db2.gz VSNNCFIFHXHJGL-FZMZJTMJSA-N 2 2 293.367 0.531 20 0 CCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444270009 389898929 /nfs/dbraw/zinc/89/89/29/389898929.db2.gz PMLLEKNEJGMEOZ-GXTWGEPZSA-N 2 2 274.368 0.649 20 0 CCADLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccnn1C ZINC000447534079 389957041 /nfs/dbraw/zinc/95/70/41/389957041.db2.gz ZUPPQUQXLVLSBX-NEPJUHHUSA-N 2 2 252.362 0.527 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000420261049 389975069 /nfs/dbraw/zinc/97/50/69/389975069.db2.gz KCTIVVHKPWAJAW-ZJUUUORDSA-N 2 2 251.334 0.461 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[C@@H](C)C[C@@H]2C[NH3+])nc[nH+]1 ZINC000420259262 389975116 /nfs/dbraw/zinc/97/51/16/389975116.db2.gz LMYVMAITNGAPPR-GRYCIOLGSA-N 2 2 279.388 0.833 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC000447659017 389961693 /nfs/dbraw/zinc/96/16/93/389961693.db2.gz MJSFIAKUWVBPIT-CYBMUJFWSA-N 2 2 283.416 0.507 20 0 CCADLP C[NH2+]CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000435875100 389964713 /nfs/dbraw/zinc/96/47/13/389964713.db2.gz BDOQNXPUNQCAHH-CYBMUJFWSA-N 2 2 269.389 0.309 20 0 CCADLP C[NH2+]CCC[N@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000435875100 389964715 /nfs/dbraw/zinc/96/47/15/389964715.db2.gz BDOQNXPUNQCAHH-CYBMUJFWSA-N 2 2 269.389 0.309 20 0 CCADLP C[C@H]1CN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC[NH2+]1 ZINC000420237840 389970851 /nfs/dbraw/zinc/97/08/51/389970851.db2.gz MFSDXERYAIUGCS-NWDGAFQWSA-N 2 2 277.372 0.236 20 0 CCADLP C[C@@H]1CN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC[NH2+]1 ZINC000420237844 389970914 /nfs/dbraw/zinc/97/09/14/389970914.db2.gz MFSDXERYAIUGCS-VXGBXAGGSA-N 2 2 277.372 0.236 20 0 CCADLP COc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cn1 ZINC000436250778 389973404 /nfs/dbraw/zinc/97/34/04/389973404.db2.gz YUVZBVUKNPMOKH-ZDUSSCGKSA-N 2 2 292.383 0.520 20 0 CCADLP COc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cn1 ZINC000436250778 389973405 /nfs/dbraw/zinc/97/34/05/389973405.db2.gz YUVZBVUKNPMOKH-ZDUSSCGKSA-N 2 2 292.383 0.520 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H](C)C[C@@H](CO)C2)CC1 ZINC000420945329 390039387 /nfs/dbraw/zinc/03/93/87/390039387.db2.gz ROQQYFHTGKKLQX-QLFBSQMISA-N 2 2 297.443 0.489 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@H](C)C[C@@H](CO)C2)CC1 ZINC000420945329 390039388 /nfs/dbraw/zinc/03/93/88/390039388.db2.gz ROQQYFHTGKKLQX-QLFBSQMISA-N 2 2 297.443 0.489 20 0 CCADLP C[N@H+](CCC(N)=O)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420960234 390040709 /nfs/dbraw/zinc/04/07/09/390040709.db2.gz HKEYWCRNYMKMKR-UHFFFAOYSA-N 2 2 291.395 0.826 20 0 CCADLP C[N@@H+](CCC(N)=O)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420960234 390040710 /nfs/dbraw/zinc/04/07/10/390040710.db2.gz HKEYWCRNYMKMKR-UHFFFAOYSA-N 2 2 291.395 0.826 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)NCCCn3cc[nH+]c3)C[C@@H]21 ZINC000457383258 390041318 /nfs/dbraw/zinc/04/13/18/390041318.db2.gz JPVLQFDLIHYWRQ-OLZOCXBDSA-N 2 2 277.372 0.619 20 0 CCADLP CC[NH+]1CCN(C(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000436514030 389978331 /nfs/dbraw/zinc/97/83/31/389978331.db2.gz PRTBXMJQVFVSKT-UHFFFAOYSA-N 2 2 284.404 0.056 20 0 CCADLP CC[NH+]1CCN(C(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000436514030 389978334 /nfs/dbraw/zinc/97/83/34/389978334.db2.gz PRTBXMJQVFVSKT-UHFFFAOYSA-N 2 2 284.404 0.056 20 0 CCADLP C[C@H]1CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@H]1C[NH3+] ZINC000420296655 389979393 /nfs/dbraw/zinc/97/93/93/389979393.db2.gz XMCQXYAMRXNBBS-HJWJTTGWSA-N 3 2 291.439 0.977 20 0 CCADLP C[C@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@H]1C[NH3+] ZINC000420296655 389979395 /nfs/dbraw/zinc/97/93/95/389979395.db2.gz XMCQXYAMRXNBBS-HJWJTTGWSA-N 3 2 291.439 0.977 20 0 CCADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000420295632 389979708 /nfs/dbraw/zinc/97/97/08/389979708.db2.gz PRKNVJPHKPRDKV-CHWSQXEVSA-N 2 2 297.399 0.211 20 0 CCADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000420295632 389979709 /nfs/dbraw/zinc/97/97/09/389979709.db2.gz PRKNVJPHKPRDKV-CHWSQXEVSA-N 2 2 297.399 0.211 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000420304031 389980715 /nfs/dbraw/zinc/98/07/15/389980715.db2.gz IIUMYQDPEVVPGC-KBPBESRZSA-N 2 2 281.400 0.452 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000420304031 389980716 /nfs/dbraw/zinc/98/07/16/389980716.db2.gz IIUMYQDPEVVPGC-KBPBESRZSA-N 2 2 281.400 0.452 20 0 CCADLP CC(C)OC(=O)CC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420316115 389982698 /nfs/dbraw/zinc/98/26/98/389982698.db2.gz XTVHTGWRTVHLRU-CYBMUJFWSA-N 2 2 297.399 0.224 20 0 CCADLP CC(C)OC(=O)CC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420316115 389982701 /nfs/dbraw/zinc/98/27/01/389982701.db2.gz XTVHTGWRTVHLRU-CYBMUJFWSA-N 2 2 297.399 0.224 20 0 CCADLP C(C[N@@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2)N1C[C@H]2CC[C@@H](C1)O2 ZINC000420317925 389982807 /nfs/dbraw/zinc/98/28/07/389982807.db2.gz ZYBQUIDRXRZMHN-BARDWOONSA-N 2 2 265.401 0.676 20 0 CCADLP C(C[N@H+]1[C@@H]2CC[C@H]1C[NH2+]CC2)N1C[C@H]2CC[C@@H](C1)O2 ZINC000420317925 389982809 /nfs/dbraw/zinc/98/28/09/389982809.db2.gz ZYBQUIDRXRZMHN-BARDWOONSA-N 2 2 265.401 0.676 20 0 CCADLP C[C@H]1C[N@H+](CCN2CC[NH2+]C[C@](C)(F)C2)CCO1 ZINC000420323127 389983466 /nfs/dbraw/zinc/98/34/66/389983466.db2.gz AUGXWTMXACGXOL-STQMWFEESA-N 2 2 259.369 0.341 20 0 CCADLP C[C@H]1C[N@@H+](CCN2CC[NH2+]C[C@](C)(F)C2)CCO1 ZINC000420323127 389983467 /nfs/dbraw/zinc/98/34/67/389983467.db2.gz AUGXWTMXACGXOL-STQMWFEESA-N 2 2 259.369 0.341 20 0 CCADLP CCN(Cc1cccc(F)c1)C(=O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420349434 389988050 /nfs/dbraw/zinc/98/80/50/389988050.db2.gz CWYYFHZEWVSUGU-AWEZNQCLSA-N 2 2 297.374 0.426 20 0 CCADLP CCN(Cc1cccc(F)c1)C(=O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420349434 389988051 /nfs/dbraw/zinc/98/80/51/389988051.db2.gz CWYYFHZEWVSUGU-AWEZNQCLSA-N 2 2 297.374 0.426 20 0 CCADLP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420349402 389988054 /nfs/dbraw/zinc/98/80/54/389988054.db2.gz CVFUTMMRZUUQDK-BXUZGUMPSA-N 2 2 297.374 0.124 20 0 CCADLP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420349402 389988055 /nfs/dbraw/zinc/98/80/55/389988055.db2.gz CVFUTMMRZUUQDK-BXUZGUMPSA-N 2 2 297.374 0.124 20 0 CCADLP CC(C)N(C(=O)[C@@H](C)[N@H+](C)C[C@H](O)C[NH3+])C(C)C ZINC000420351196 389989294 /nfs/dbraw/zinc/98/92/94/389989294.db2.gz JIPOFCOVRNVKIX-VXGBXAGGSA-N 2 2 259.394 0.272 20 0 CCADLP CC(C)N(C(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C[NH3+])C(C)C ZINC000420351196 389989296 /nfs/dbraw/zinc/98/92/96/389989296.db2.gz JIPOFCOVRNVKIX-VXGBXAGGSA-N 2 2 259.394 0.272 20 0 CCADLP C[C@H](C(=O)N(C)c1ccccc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420351059 389989302 /nfs/dbraw/zinc/98/93/02/389989302.db2.gz IXHUBDICQLJKIK-DGCLKSJQSA-N 2 2 265.357 0.289 20 0 CCADLP C[C@H](C(=O)N(C)c1ccccc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420351059 389989304 /nfs/dbraw/zinc/98/93/04/389989304.db2.gz IXHUBDICQLJKIK-DGCLKSJQSA-N 2 2 265.357 0.289 20 0 CCADLP Cc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@H](O)C[NH3+])c(F)c1 ZINC000420355489 389990171 /nfs/dbraw/zinc/99/01/71/389990171.db2.gz PRDGLBLGDDNOTK-WDEREUQCSA-N 2 2 283.347 0.713 20 0 CCADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@H](O)C[NH3+])c(F)c1 ZINC000420355489 389990173 /nfs/dbraw/zinc/99/01/73/389990173.db2.gz PRDGLBLGDDNOTK-WDEREUQCSA-N 2 2 283.347 0.713 20 0 CCADLP CC(C)CN(CC(F)(F)F)C(=O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420358409 389990843 /nfs/dbraw/zinc/99/08/43/389990843.db2.gz UGYJLTPORISNIE-JTQLQIEISA-N 2 2 299.337 0.285 20 0 CCADLP CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420358409 389990844 /nfs/dbraw/zinc/99/08/44/389990844.db2.gz UGYJLTPORISNIE-JTQLQIEISA-N 2 2 299.337 0.285 20 0 CCADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420358336 389991049 /nfs/dbraw/zinc/99/10/49/389991049.db2.gz ILAGACBRGCYDKJ-JYJNAYRXSA-N 3 2 291.439 0.895 20 0 CCADLP C[C@H](CNC(=O)[C@H](C)[N@H+](C)C[C@H](O)C[NH3+])c1ccccc1 ZINC000420358904 389991203 /nfs/dbraw/zinc/99/12/03/389991203.db2.gz VCVCIDPVUWCPFE-VNHYZAJKSA-N 2 2 293.411 0.546 20 0 CCADLP C[C@H](CNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)C[NH3+])c1ccccc1 ZINC000420358904 389991205 /nfs/dbraw/zinc/99/12/05/389991205.db2.gz VCVCIDPVUWCPFE-VNHYZAJKSA-N 2 2 293.411 0.546 20 0 CCADLP Cn1cc[nH+]c1CN1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420365577 389992442 /nfs/dbraw/zinc/99/24/42/389992442.db2.gz SHRQDVIZTOHRMC-HNNXBMFYSA-N 3 2 291.443 0.927 20 0 CCADLP COc1cccc(NC(=O)CC[N@H+](C)CC[NH3+])c1 ZINC000420369745 389993254 /nfs/dbraw/zinc/99/32/54/389993254.db2.gz CAMAGLMTBYNUGP-UHFFFAOYSA-N 2 2 251.330 0.914 20 0 CCADLP COc1cccc(NC(=O)CC[N@@H+](C)CC[NH3+])c1 ZINC000420369745 389993256 /nfs/dbraw/zinc/99/32/56/389993256.db2.gz CAMAGLMTBYNUGP-UHFFFAOYSA-N 2 2 251.330 0.914 20 0 CCADLP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000420377333 389994486 /nfs/dbraw/zinc/99/44/86/389994486.db2.gz WDNDHNZAFNXJBS-HNNXBMFYSA-N 3 2 296.459 0.648 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCN2CCC(O)CC2)C1 ZINC000449650474 389994555 /nfs/dbraw/zinc/99/45/55/389994555.db2.gz ZGUFQDXUKHSLIX-OCCSQVGLSA-N 2 2 255.406 0.373 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCN2CCC(O)CC2)C1 ZINC000449650474 389994556 /nfs/dbraw/zinc/99/45/56/389994556.db2.gz ZGUFQDXUKHSLIX-OCCSQVGLSA-N 2 2 255.406 0.373 20 0 CCADLP CCOC(=O)[C@@H]([NH2+]CCC(=O)N1CC[NH2+]CC1)[C@@H](C)CC ZINC000420391881 389996291 /nfs/dbraw/zinc/99/62/91/389996291.db2.gz BECSEXYIZULZLZ-JSGCOSHPSA-N 2 2 299.415 0.376 20 0 CCADLP CC(C)CN(C(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1)C(C)C ZINC000420394252 389996768 /nfs/dbraw/zinc/99/67/68/389996768.db2.gz RNCFUJDZZWBDPS-AWEZNQCLSA-N 2 2 285.432 0.929 20 0 CCADLP CC(C)CN(C(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1)C(C)C ZINC000420394252 389996770 /nfs/dbraw/zinc/99/67/70/389996770.db2.gz RNCFUJDZZWBDPS-AWEZNQCLSA-N 2 2 285.432 0.929 20 0 CCADLP CN(C(=O)CO)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000450353276 389996892 /nfs/dbraw/zinc/99/68/92/389996892.db2.gz FBHJRTSHMQBVGJ-HUUCEWRRSA-N 2 2 297.443 0.774 20 0 CCADLP CN(C(=O)CO)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000450353276 389996893 /nfs/dbraw/zinc/99/68/93/389996893.db2.gz FBHJRTSHMQBVGJ-HUUCEWRRSA-N 2 2 297.443 0.774 20 0 CCADLP Cc1cc(C)c(CNC(=O)[C@@H]2C[N@H+](C)CCO2)c[nH+]1 ZINC000456835358 390019560 /nfs/dbraw/zinc/01/95/60/390019560.db2.gz IOKZRJKKIWBGDD-ZDUSSCGKSA-N 2 2 263.341 0.645 20 0 CCADLP Cc1cc(C)c(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)c[nH+]1 ZINC000456835358 390019562 /nfs/dbraw/zinc/01/95/62/390019562.db2.gz IOKZRJKKIWBGDD-ZDUSSCGKSA-N 2 2 263.341 0.645 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](CCOCC2CCCC2)CC1 ZINC000459312303 390072332 /nfs/dbraw/zinc/07/23/32/390072332.db2.gz YSMHWTPXRKVNEK-UHFFFAOYSA-N 2 2 297.443 0.899 20 0 CCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC(C)(C)C[NH+](C)C ZINC000458330550 390055698 /nfs/dbraw/zinc/05/56/98/390055698.db2.gz DFKQUSUSAGHDSR-ZDUSSCGKSA-N 2 2 299.463 0.262 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C2CC2)C2CC[NH2+]CC2)CCO1 ZINC000647815470 390179946 /nfs/dbraw/zinc/17/99/46/390179946.db2.gz IXXPLKUFJANRJW-CYBMUJFWSA-N 2 2 267.417 0.924 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C2CC2)C2CC[NH2+]CC2)CCO1 ZINC000647815470 390179949 /nfs/dbraw/zinc/17/99/49/390179949.db2.gz IXXPLKUFJANRJW-CYBMUJFWSA-N 2 2 267.417 0.924 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cncc(F)c1 ZINC000494618423 390186698 /nfs/dbraw/zinc/18/66/98/390186698.db2.gz DNCZWILXQCGOIH-ZDUSSCGKSA-N 2 2 280.347 0.650 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cncc(F)c1 ZINC000494618423 390186701 /nfs/dbraw/zinc/18/67/01/390186701.db2.gz DNCZWILXQCGOIH-ZDUSSCGKSA-N 2 2 280.347 0.650 20 0 CCADLP COCC(C)(C)[NH+]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493393233 390124577 /nfs/dbraw/zinc/12/45/77/390124577.db2.gz VMKRFJNWCUHUQO-SNAWJCMRSA-N 2 2 292.383 0.992 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493433144 390125555 /nfs/dbraw/zinc/12/55/55/390125555.db2.gz LZKSGEBUJOASFM-CFHLNLSMSA-N 2 2 280.372 0.632 20 0 CCADLP C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)[C@@H](C)C[N@@H+]1CCO ZINC000493813561 390127885 /nfs/dbraw/zinc/12/78/85/390127885.db2.gz CYPMDFUDBADUNT-LXYZTQFVSA-N 2 2 278.356 0.336 20 0 CCADLP C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)[C@@H](C)C[N@H+]1CCO ZINC000493813561 390127886 /nfs/dbraw/zinc/12/78/86/390127886.db2.gz CYPMDFUDBADUNT-LXYZTQFVSA-N 2 2 278.356 0.336 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000579139414 390147088 /nfs/dbraw/zinc/14/70/88/390147088.db2.gz GRWGLFUCQCVZLU-GFCCVEGCSA-N 2 2 282.388 0.673 20 0 CCADLP COCC[N@@H+](C)CCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000579139414 390147090 /nfs/dbraw/zinc/14/70/90/390147090.db2.gz GRWGLFUCQCVZLU-GFCCVEGCSA-N 2 2 282.388 0.673 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000579139414 390147091 /nfs/dbraw/zinc/14/70/91/390147091.db2.gz GRWGLFUCQCVZLU-GFCCVEGCSA-N 2 2 282.388 0.673 20 0 CCADLP COCC[N@@H+](C)CCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000579139414 390147093 /nfs/dbraw/zinc/14/70/93/390147093.db2.gz GRWGLFUCQCVZLU-GFCCVEGCSA-N 2 2 282.388 0.673 20 0 CCADLP CC1(C)C[NH2+][C@@H]1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000644150310 390148345 /nfs/dbraw/zinc/14/83/45/390148345.db2.gz HMZMHSHDPHNGCI-DGCLKSJQSA-N 2 2 274.368 0.775 20 0 CCADLP C[N@@H+]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000535835572 390154170 /nfs/dbraw/zinc/15/41/70/390154170.db2.gz DLAFWHAFZCNOIK-UHFFFAOYSA-N 2 2 250.346 0.851 20 0 CCADLP C[N@H+]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000535835572 390154171 /nfs/dbraw/zinc/15/41/71/390154171.db2.gz DLAFWHAFZCNOIK-UHFFFAOYSA-N 2 2 250.346 0.851 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000579240699 390155887 /nfs/dbraw/zinc/15/58/87/390155887.db2.gz ZTFHDWBYQIWHPX-CQSZACIVSA-N 2 2 250.342 0.721 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCc2ccc(O)cc2C1 ZINC000579240699 390155891 /nfs/dbraw/zinc/15/58/91/390155891.db2.gz ZTFHDWBYQIWHPX-CQSZACIVSA-N 2 2 250.342 0.721 20 0 CCADLP Cc1[nH+]c2cc(NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)ccc2n1C ZINC000579597656 390189773 /nfs/dbraw/zinc/18/97/73/390189773.db2.gz ZBSINEPUYVDGPQ-ZYHUDNBSSA-N 2 2 274.324 0.543 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)NCCn2cc[nH+]c2)CCO1 ZINC000494199363 390157829 /nfs/dbraw/zinc/15/78/29/390157829.db2.gz VIFADDBGSDEAAM-ZDUSSCGKSA-N 2 2 295.387 0.293 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)NCCn2cc[nH+]c2)CCO1 ZINC000494199363 390157835 /nfs/dbraw/zinc/15/78/35/390157835.db2.gz VIFADDBGSDEAAM-ZDUSSCGKSA-N 2 2 295.387 0.293 20 0 CCADLP C[C@H](C[N@H+](C1CC1)C1CC[NH2+]CC1)CS(C)(=O)=O ZINC000647815143 390178882 /nfs/dbraw/zinc/17/88/82/390178882.db2.gz QXOPSQXAFLJQKH-LLVKDONJSA-N 2 2 274.430 0.884 20 0 CCADLP C[C@H](C[N@@H+](C1CC1)C1CC[NH2+]CC1)CS(C)(=O)=O ZINC000647815143 390178885 /nfs/dbraw/zinc/17/88/85/390178885.db2.gz QXOPSQXAFLJQKH-LLVKDONJSA-N 2 2 274.430 0.884 20 0 CCADLP O=C(c1ccccc1O)N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647880379 390205399 /nfs/dbraw/zinc/20/53/99/390205399.db2.gz QGEHDQSECPOKKN-ZDUSSCGKSA-N 2 2 289.379 0.760 20 0 CCADLP Cc1nc([C@@H]2CCCC[N@@H+]2CCOCC[NH3+])no1 ZINC000647882135 390206580 /nfs/dbraw/zinc/20/65/80/390206580.db2.gz NLNFUONYPFFPNJ-NSHDSACASA-N 2 2 254.334 0.880 20 0 CCADLP Cc1nc([C@@H]2CCCC[N@H+]2CCOCC[NH3+])no1 ZINC000647882135 390206583 /nfs/dbraw/zinc/20/65/83/390206583.db2.gz NLNFUONYPFFPNJ-NSHDSACASA-N 2 2 254.334 0.880 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)C[C@H](C(F)(F)F)O1 ZINC000647889366 390208931 /nfs/dbraw/zinc/20/89/31/390208931.db2.gz KYLXAIKSGORJJC-GHMZBOCLSA-N 2 2 281.322 0.543 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)C[C@H](C(F)(F)F)O1 ZINC000647889366 390208935 /nfs/dbraw/zinc/20/89/35/390208935.db2.gz KYLXAIKSGORJJC-GHMZBOCLSA-N 2 2 281.322 0.543 20 0 CCADLP COC[C@@H]1CCC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000647891584 390210189 /nfs/dbraw/zinc/21/01/89/390210189.db2.gz TVKYCSGOAKTRPW-VIFPVBQESA-N 2 2 254.334 0.874 20 0 CCADLP COC[C@@H]1CCC[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000647891584 390210192 /nfs/dbraw/zinc/21/01/92/390210192.db2.gz TVKYCSGOAKTRPW-VIFPVBQESA-N 2 2 254.334 0.874 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000579826963 390211074 /nfs/dbraw/zinc/21/10/74/390211074.db2.gz AJFLCRWZCIKHMI-FVCCEPFGSA-N 2 2 260.378 0.081 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000579826963 390211076 /nfs/dbraw/zinc/21/10/76/390211076.db2.gz AJFLCRWZCIKHMI-FVCCEPFGSA-N 2 2 260.378 0.081 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647902807 390211425 /nfs/dbraw/zinc/21/14/25/390211425.db2.gz CEKRGLCJIIWEEV-KBPBESRZSA-N 2 2 283.416 0.603 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647902807 390211428 /nfs/dbraw/zinc/21/14/28/390211428.db2.gz CEKRGLCJIIWEEV-KBPBESRZSA-N 2 2 283.416 0.603 20 0 CCADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000495060330 390214963 /nfs/dbraw/zinc/21/49/63/390214963.db2.gz QUPMDPMUAQYFMX-QWHCGFSZSA-N 2 2 283.416 0.744 20 0 CCADLP C[C@@H](CNC(=O)CC[C@@H]1CCC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000494700825 390194396 /nfs/dbraw/zinc/19/43/96/390194396.db2.gz XMTRWBKIDHLEJD-KBPBESRZSA-N 2 2 282.432 0.271 20 0 CCADLP O=S1(=O)CCO[C@@H](C[NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000538757906 390198804 /nfs/dbraw/zinc/19/88/04/390198804.db2.gz MSTHHOCYULUBKH-LBPRGKRZSA-N 2 2 295.364 0.238 20 0 CCADLP Cn1nnc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647977915 390237216 /nfs/dbraw/zinc/23/72/16/390237216.db2.gz JSTIFGVJZPWUJO-VXGBXAGGSA-N 2 2 264.377 0.422 20 0 CCADLP Cn1nnc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647977915 390237217 /nfs/dbraw/zinc/23/72/17/390237217.db2.gz JSTIFGVJZPWUJO-VXGBXAGGSA-N 2 2 264.377 0.422 20 0 CCADLP Fc1cccnc1N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647989216 390239869 /nfs/dbraw/zinc/23/98/69/390239869.db2.gz XYNSBZBRUULWNH-LBPRGKRZSA-N 2 2 264.348 0.952 20 0 CCADLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000647991920 390240885 /nfs/dbraw/zinc/24/08/85/390240885.db2.gz FSTFVEWFCPAAIG-IUCAKERBSA-N 2 2 257.359 0.332 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000647964070 390230749 /nfs/dbraw/zinc/23/07/49/390230749.db2.gz PWKJXZNCVPBQFF-ZIAGYGMSSA-N 2 2 283.416 0.431 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000647964070 390230751 /nfs/dbraw/zinc/23/07/51/390230751.db2.gz PWKJXZNCVPBQFF-ZIAGYGMSSA-N 2 2 283.416 0.431 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000647964070 390230756 /nfs/dbraw/zinc/23/07/56/390230756.db2.gz PWKJXZNCVPBQFF-ZIAGYGMSSA-N 2 2 283.416 0.431 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000647964070 390230759 /nfs/dbraw/zinc/23/07/59/390230759.db2.gz PWKJXZNCVPBQFF-ZIAGYGMSSA-N 2 2 283.416 0.431 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)c2coc(C[NH3+])c2)C[C@H](C)O1 ZINC000583563247 390292427 /nfs/dbraw/zinc/29/24/27/390292427.db2.gz JMJKJMVSMXEIJK-TXEJJXNPSA-N 2 2 295.383 0.920 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)c2coc(C[NH3+])c2)C[C@H](C)O1 ZINC000583563247 390292428 /nfs/dbraw/zinc/29/24/28/390292428.db2.gz JMJKJMVSMXEIJK-TXEJJXNPSA-N 2 2 295.383 0.920 20 0 CCADLP CC[C@@H](O)C[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000644618789 390268088 /nfs/dbraw/zinc/26/80/88/390268088.db2.gz OQNRMYWAYMHGKE-NEPJUHHUSA-N 2 2 280.372 0.272 20 0 CCADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCCCO)CC1 ZINC000582188961 390268158 /nfs/dbraw/zinc/26/81/58/390268158.db2.gz BDXLHTLMTYKGOJ-CYBMUJFWSA-N 2 2 256.390 0.944 20 0 CCADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCCCO)CC1 ZINC000582188961 390268160 /nfs/dbraw/zinc/26/81/60/390268160.db2.gz BDXLHTLMTYKGOJ-CYBMUJFWSA-N 2 2 256.390 0.944 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cc(-c3cccnc3)n[nH]2)C1 ZINC000547272278 390365284 /nfs/dbraw/zinc/36/52/84/390365284.db2.gz KLMGBIFJLQXDQB-HNNXBMFYSA-N 2 2 287.367 0.628 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cc(-c3cccnc3)n[nH]2)C1 ZINC000547272278 390365290 /nfs/dbraw/zinc/36/52/90/390365290.db2.gz KLMGBIFJLQXDQB-HNNXBMFYSA-N 2 2 287.367 0.628 20 0 CCADLP C[C@@H](C(=O)N1CCCC[C@H]1C[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000544488015 390304747 /nfs/dbraw/zinc/30/47/47/390304747.db2.gz QGYMEUHIIWXPGY-GJZGRUSLSA-N 2 2 296.459 0.565 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@]3(CNC(=O)C3)C2)n1C ZINC000583749103 390307635 /nfs/dbraw/zinc/30/76/35/390307635.db2.gz JMVZZEURQDORAU-HNNXBMFYSA-N 2 2 291.399 0.588 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@]3(CNC(=O)C3)C2)n1C ZINC000583749103 390307639 /nfs/dbraw/zinc/30/76/39/390307639.db2.gz JMVZZEURQDORAU-HNNXBMFYSA-N 2 2 291.399 0.588 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)c2ccccc2CC[NH3+])CCO1 ZINC000584001698 390332627 /nfs/dbraw/zinc/33/26/27/390332627.db2.gz UJKVFRAHXKEZOO-CYBMUJFWSA-N 2 2 291.395 0.638 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)c2ccccc2CC[NH3+])CCO1 ZINC000584001698 390332630 /nfs/dbraw/zinc/33/26/30/390332630.db2.gz UJKVFRAHXKEZOO-CYBMUJFWSA-N 2 2 291.395 0.638 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1nnnn1CC1CC1 ZINC000546024164 390343272 /nfs/dbraw/zinc/34/32/72/390343272.db2.gz NEDNXEMJYLVTTK-MDZLAQPJSA-N 2 2 278.404 0.901 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1nnnn1CC1CC1 ZINC000546024164 390343273 /nfs/dbraw/zinc/34/32/73/390343273.db2.gz NEDNXEMJYLVTTK-MDZLAQPJSA-N 2 2 278.404 0.901 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000584477524 390347895 /nfs/dbraw/zinc/34/78/95/390347895.db2.gz KFBPIHQJYAHLSC-OLZOCXBDSA-N 2 2 271.405 0.731 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000584477524 390347898 /nfs/dbraw/zinc/34/78/98/390347898.db2.gz KFBPIHQJYAHLSC-OLZOCXBDSA-N 2 2 271.405 0.731 20 0 CCADLP CCOC(=O)N1CC[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000497023276 390404172 /nfs/dbraw/zinc/40/41/72/390404172.db2.gz SEIWWXHTYISXBY-WOPDTQHZSA-N 2 2 255.362 0.805 20 0 CCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000645492788 390437474 /nfs/dbraw/zinc/43/74/74/390437474.db2.gz ZCEHSILLUHKYFG-JQWIXIFHSA-N 2 2 262.357 0.762 20 0 CCADLP Cc1nocc1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000645156444 390379832 /nfs/dbraw/zinc/37/98/32/390379832.db2.gz BVQCXMTWFKFEAJ-OAHLLOKOSA-N 2 2 294.399 0.479 20 0 CCADLP CCc1nn(C)cc1C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000648644901 390385874 /nfs/dbraw/zinc/38/58/74/390385874.db2.gz RMEGCZDACITJNF-AWEZNQCLSA-N 2 2 280.416 0.919 20 0 CCADLP CCc1nn(C)cc1C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000648644901 390385876 /nfs/dbraw/zinc/38/58/76/390385876.db2.gz RMEGCZDACITJNF-AWEZNQCLSA-N 2 2 280.416 0.919 20 0 CCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[NH+]1CCOCC1 ZINC000648713671 390393866 /nfs/dbraw/zinc/39/38/66/390393866.db2.gz SPQPZRQEBAEDNG-ZDUSSCGKSA-N 2 2 294.399 0.845 20 0 CCADLP CC[C@@H]1CN(C(=O)C[N@H+](C)CC(=O)NC(C)C)C[C@H](C)[NH2+]1 ZINC000620904570 390397164 /nfs/dbraw/zinc/39/71/64/390397164.db2.gz RDZYRZQNEPGLLC-QWHCGFSZSA-N 2 2 298.431 0.042 20 0 CCADLP CC[C@@H]1CN(C(=O)C[N@@H+](C)CC(=O)NC(C)C)C[C@H](C)[NH2+]1 ZINC000620904570 390397168 /nfs/dbraw/zinc/39/71/68/390397168.db2.gz RDZYRZQNEPGLLC-QWHCGFSZSA-N 2 2 298.431 0.042 20 0 CCADLP CC(C)OCC[C@@H](O)C[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000519400889 390499019 /nfs/dbraw/zinc/49/90/19/390499019.db2.gz VMJBVRUOXHIFSM-HUUCEWRRSA-N 2 2 288.432 0.599 20 0 CCADLP CC(C)OCC[C@@H](O)C[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000519400889 390499026 /nfs/dbraw/zinc/49/90/26/390499026.db2.gz VMJBVRUOXHIFSM-HUUCEWRRSA-N 2 2 288.432 0.599 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+]2CCOC[C@H]2C)C1 ZINC000565372648 390508011 /nfs/dbraw/zinc/50/80/11/390508011.db2.gz XTCHUPCDJUKOBZ-CHWSQXEVSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+]2CCOC[C@H]2C)C1 ZINC000565372648 390508015 /nfs/dbraw/zinc/50/80/15/390508015.db2.gz XTCHUPCDJUKOBZ-CHWSQXEVSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC000565372648 390508020 /nfs/dbraw/zinc/50/80/20/390508020.db2.gz XTCHUPCDJUKOBZ-CHWSQXEVSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC000565372648 390508024 /nfs/dbraw/zinc/50/80/24/390508024.db2.gz XTCHUPCDJUKOBZ-CHWSQXEVSA-N 2 2 269.389 0.165 20 0 CCADLP COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)C2C[NH2+]C2)C1=O ZINC000643466624 390449911 /nfs/dbraw/zinc/44/99/11/390449911.db2.gz JBISMUDZFDROFT-WCQYABFASA-N 2 2 289.379 0.998 20 0 CCADLP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1nnnn1C1CC1 ZINC000643465756 390450307 /nfs/dbraw/zinc/45/03/07/390450307.db2.gz SDIXFEWIIXXGMB-KOLCDFICSA-N 2 2 250.350 0.615 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H](O)C3CCC3)C2)CC1 ZINC000648937817 390450676 /nfs/dbraw/zinc/45/06/76/390450676.db2.gz BDROXINGWMRSHY-HIFRSBDPSA-N 2 2 295.427 0.432 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H](O)C3CCC3)C2)CC1 ZINC000648937817 390450680 /nfs/dbraw/zinc/45/06/80/390450680.db2.gz BDROXINGWMRSHY-HIFRSBDPSA-N 2 2 295.427 0.432 20 0 CCADLP CC(C)[C@H]([NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)C(=O)N1CCCC1 ZINC000643470379 390450889 /nfs/dbraw/zinc/45/08/89/390450889.db2.gz KFAZAGZIZAPVID-ZNMIVQPWSA-N 2 2 297.443 0.990 20 0 CCADLP CNS(=O)(=O)[C@@H]1CC[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000555334965 390453346 /nfs/dbraw/zinc/45/33/46/390453346.db2.gz DAGZFKKWEDYGMF-CQSZACIVSA-N 2 2 297.424 0.946 20 0 CCADLP CNS(=O)(=O)[C@@H]1CC[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000555334965 390453348 /nfs/dbraw/zinc/45/33/48/390453348.db2.gz DAGZFKKWEDYGMF-CQSZACIVSA-N 2 2 297.424 0.946 20 0 CCADLP C[C@H](C(=O)N(C)CC1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000505720520 390463370 /nfs/dbraw/zinc/46/33/70/390463370.db2.gz PJMWCYDKXBSUOU-CYBMUJFWSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)C[C@H](C)O1 ZINC000514597436 390467203 /nfs/dbraw/zinc/46/72/03/390467203.db2.gz QPEJPVDFQOGWEM-GEONZQJFSA-N 2 2 298.427 0.614 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)C[C@H](C)O1 ZINC000514597436 390467208 /nfs/dbraw/zinc/46/72/08/390467208.db2.gz QPEJPVDFQOGWEM-GEONZQJFSA-N 2 2 298.427 0.614 20 0 CCADLP [NH3+][C@@H]1C[C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)c2ccccc21 ZINC000565475136 390515947 /nfs/dbraw/zinc/51/59/47/390515947.db2.gz VOMWTLFTPYLJRF-KGLIPLIRSA-N 3 2 274.368 0.153 20 0 CCADLP Cc1nc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])sc1C ZINC000516423739 390481010 /nfs/dbraw/zinc/48/10/10/390481010.db2.gz ZOLVZENBXYMFQT-JTQLQIEISA-N 2 2 283.401 0.867 20 0 CCADLP Cc1nc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])sc1C ZINC000516423739 390481015 /nfs/dbraw/zinc/48/10/15/390481015.db2.gz ZOLVZENBXYMFQT-JTQLQIEISA-N 2 2 283.401 0.867 20 0 CCADLP COc1ccnc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000566103598 390578622 /nfs/dbraw/zinc/57/86/22/390578622.db2.gz BLNXBUVMEJMQNE-QWRGUYRKSA-N 2 2 250.346 0.963 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCn2cccc2)C[C@H](C)O1 ZINC000566111134 390579737 /nfs/dbraw/zinc/57/97/37/390579737.db2.gz YPNBQNCLDNYCMS-QLFBSQMISA-N 2 2 281.400 0.548 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCn2cccc2)C[C@H](C)O1 ZINC000566111134 390579740 /nfs/dbraw/zinc/57/97/40/390579740.db2.gz YPNBQNCLDNYCMS-QLFBSQMISA-N 2 2 281.400 0.548 20 0 CCADLP C[N@@H+]1CCN(Cc2nccn2-c2ccccc2)[C@H](C[NH3+])C1 ZINC000519656058 390525106 /nfs/dbraw/zinc/52/51/06/390525106.db2.gz RSCRYKVABLOYIJ-OAHLLOKOSA-N 2 2 285.395 0.947 20 0 CCADLP C[N@H+]1CCN(Cc2nccn2-c2ccccc2)[C@H](C[NH3+])C1 ZINC000519656058 390525113 /nfs/dbraw/zinc/52/51/13/390525113.db2.gz RSCRYKVABLOYIJ-OAHLLOKOSA-N 2 2 285.395 0.947 20 0 CCADLP [NH3+]Cc1cc(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)co1 ZINC000649278922 390547055 /nfs/dbraw/zinc/54/70/55/390547055.db2.gz NSDRFYZXVXDSCM-CYBMUJFWSA-N 2 2 293.367 0.675 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@H](CO)CC(F)(F)F)C1CC1 ZINC000565833950 390549992 /nfs/dbraw/zinc/54/99/92/390549992.db2.gz VKQCXUGFBUDJKG-WCBMZHEXSA-N 2 2 270.295 0.344 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@H](CO)CC(F)(F)F)C1CC1 ZINC000565833950 390549997 /nfs/dbraw/zinc/54/99/97/390549997.db2.gz VKQCXUGFBUDJKG-WCBMZHEXSA-N 2 2 270.295 0.344 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]([NH3+])C3CCC3)C2)CC1 ZINC000645977973 390556017 /nfs/dbraw/zinc/55/60/17/390556017.db2.gz PHNGKCDHFKOLPV-UKRRQHHQSA-N 3 2 294.443 0.399 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]([NH3+])C3CCC3)C2)CC1 ZINC000645977973 390556020 /nfs/dbraw/zinc/55/60/20/390556020.db2.gz PHNGKCDHFKOLPV-UKRRQHHQSA-N 3 2 294.443 0.399 20 0 CCADLP C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000565892359 390556044 /nfs/dbraw/zinc/55/60/44/390556044.db2.gz FCYXZSMZPTYIOE-MRVPVSSYSA-N 2 2 296.293 0.058 20 0 CCADLP C[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000565892359 390556047 /nfs/dbraw/zinc/55/60/47/390556047.db2.gz FCYXZSMZPTYIOE-MRVPVSSYSA-N 2 2 296.293 0.058 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1[NH2+]CC1(C)C)Cn1cc[nH+]c1 ZINC000649302522 390561243 /nfs/dbraw/zinc/56/12/43/390561243.db2.gz WLDHJDTYEXOMST-QWRGUYRKSA-N 2 2 250.346 0.633 20 0 CCADLP O=C(NCC[NH+]1Cc2ccccc2C1)[C@H]1C[NH2+]CCO1 ZINC000649306272 390567065 /nfs/dbraw/zinc/56/70/65/390567065.db2.gz JHSTVQLDXIRCSK-CQSZACIVSA-N 2 2 275.352 0.107 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000520424745 390574782 /nfs/dbraw/zinc/57/47/82/390574782.db2.gz BWBQTUPIIKCEMI-GARJFASQSA-N 2 2 284.322 0.544 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000520424745 390574784 /nfs/dbraw/zinc/57/47/84/390574784.db2.gz BWBQTUPIIKCEMI-GARJFASQSA-N 2 2 284.322 0.544 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000520424745 390574786 /nfs/dbraw/zinc/57/47/86/390574786.db2.gz BWBQTUPIIKCEMI-GARJFASQSA-N 2 2 284.322 0.544 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000520424745 390574790 /nfs/dbraw/zinc/57/47/90/390574790.db2.gz BWBQTUPIIKCEMI-GARJFASQSA-N 2 2 284.322 0.544 20 0 CCADLP C[C@@H]([NH2+]CCc1nnnn1-c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000566088722 390575265 /nfs/dbraw/zinc/57/52/65/390575265.db2.gz BHKOWRBSQNDMRR-OCCSQVGLSA-N 2 2 286.383 0.935 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000566504337 390624574 /nfs/dbraw/zinc/62/45/74/390624574.db2.gz BLIUHTLCFJEOHO-VIFPVBQESA-N 2 2 275.312 0.126 20 0 CCADLP C[C@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])CC(F)F ZINC000646219150 390639778 /nfs/dbraw/zinc/63/97/78/390639778.db2.gz CRSXUKMVDUHHRF-UWVGGRQHSA-N 2 2 278.347 0.562 20 0 CCADLP C[C@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])CC(F)F ZINC000646219150 390639781 /nfs/dbraw/zinc/63/97/81/390639781.db2.gz CRSXUKMVDUHHRF-UWVGGRQHSA-N 2 2 278.347 0.562 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@H]2CCCSC2)[C@H](C[NH3+])C1 ZINC000566727937 390641791 /nfs/dbraw/zinc/64/17/91/390641791.db2.gz XLMVMBKXCAZQHT-VXGBXAGGSA-N 2 2 286.445 0.414 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@H]2CCCSC2)[C@H](C[NH3+])C1 ZINC000566727937 390641795 /nfs/dbraw/zinc/64/17/95/390641795.db2.gz XLMVMBKXCAZQHT-VXGBXAGGSA-N 2 2 286.445 0.414 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@@]2(C)CCCO2)C[C@@H](C)O1 ZINC000521227317 390599334 /nfs/dbraw/zinc/59/93/34/390599334.db2.gz CZLZCPBPJOVSEY-KBUPBQIOSA-N 2 2 286.416 0.615 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000566413773 390599928 /nfs/dbraw/zinc/59/99/28/390599928.db2.gz JAXAGCSAMZBVKV-KGLIPLIRSA-N 3 2 257.422 0.573 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000566413773 390599933 /nfs/dbraw/zinc/59/99/33/390599933.db2.gz JAXAGCSAMZBVKV-KGLIPLIRSA-N 3 2 257.422 0.573 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000566413773 390599937 /nfs/dbraw/zinc/59/99/37/390599937.db2.gz JAXAGCSAMZBVKV-KGLIPLIRSA-N 3 2 257.422 0.573 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000566413773 390599942 /nfs/dbraw/zinc/59/99/42/390599942.db2.gz JAXAGCSAMZBVKV-KGLIPLIRSA-N 3 2 257.422 0.573 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)n1C ZINC000521229042 390600938 /nfs/dbraw/zinc/60/09/38/390600938.db2.gz NHVQGJGUAFZCBQ-AAEUAGOBSA-N 2 2 291.399 0.729 20 0 CCADLP C[C@@H](C(=O)N1CCCC[C@@H]1C[NH+](C)C)[NH+]1CCOCC1 ZINC000566437488 390605735 /nfs/dbraw/zinc/60/57/35/390605735.db2.gz PAOMFFBDYLZXJS-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP O=C1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[N@@H+]2CC[C@H](O)C2)CCN1 ZINC000643959946 390606682 /nfs/dbraw/zinc/60/66/82/390606682.db2.gz KPIKJIFIURAUSB-XQLPTFJDSA-N 2 2 295.427 0.480 20 0 CCADLP O=C1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[N@H+]2CC[C@H](O)C2)CCN1 ZINC000643959946 390606684 /nfs/dbraw/zinc/60/66/84/390606684.db2.gz KPIKJIFIURAUSB-XQLPTFJDSA-N 2 2 295.427 0.480 20 0 CCADLP CC(C)[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1 ZINC000643960342 390608844 /nfs/dbraw/zinc/60/88/44/390608844.db2.gz TUJJXEHAGVYPLR-CRWXNKLISA-N 2 2 256.390 0.581 20 0 CCADLP CC(C)[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1 ZINC000643960342 390608847 /nfs/dbraw/zinc/60/88/47/390608847.db2.gz TUJJXEHAGVYPLR-CRWXNKLISA-N 2 2 256.390 0.581 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C)C(C)(C)C2)C1 ZINC000567519527 390702502 /nfs/dbraw/zinc/70/25/02/390702502.db2.gz KLNLCRAYGHQUCE-GFCCVEGCSA-N 2 2 269.389 0.260 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](C)C(C)(C)C2)C1 ZINC000567519527 390702505 /nfs/dbraw/zinc/70/25/05/390702505.db2.gz KLNLCRAYGHQUCE-GFCCVEGCSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](C)C(C)(C)C2)C1 ZINC000567519527 390702506 /nfs/dbraw/zinc/70/25/06/390702506.db2.gz KLNLCRAYGHQUCE-GFCCVEGCSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000567519527 390702509 /nfs/dbraw/zinc/70/25/09/390702509.db2.gz KLNLCRAYGHQUCE-GFCCVEGCSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1(CC(N)=O)CC1 ZINC000567603852 390705894 /nfs/dbraw/zinc/70/58/94/390705894.db2.gz IXKMFGAPZFYQPZ-CMPLNLGQSA-N 2 2 251.374 0.714 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1(CC(N)=O)CC1 ZINC000567603852 390705895 /nfs/dbraw/zinc/70/58/95/390705895.db2.gz IXKMFGAPZFYQPZ-CMPLNLGQSA-N 2 2 251.374 0.714 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N=c2ccn(CC[NH+](C)C)[nH]2)C1 ZINC000568192965 390712764 /nfs/dbraw/zinc/71/27/64/390712764.db2.gz ZHWIWTUHEOYUTB-GFCCVEGCSA-N 2 2 279.388 0.147 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N=c2ccn(CC[NH+](C)C)[nH]2)C1 ZINC000568192965 390712766 /nfs/dbraw/zinc/71/27/66/390712766.db2.gz ZHWIWTUHEOYUTB-GFCCVEGCSA-N 2 2 279.388 0.147 20 0 CCADLP C[NH+](C)CCCCC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000570872456 390723021 /nfs/dbraw/zinc/72/30/21/390723021.db2.gz AXYWARFSXRROEO-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP C[NH+](C)CCCCC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000570872456 390723023 /nfs/dbraw/zinc/72/30/23/390723023.db2.gz AXYWARFSXRROEO-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000566983982 390664514 /nfs/dbraw/zinc/66/45/14/390664514.db2.gz BBTFMYNBUCYDDF-MWLCHTKSSA-N 2 2 251.334 0.549 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000566983982 390664516 /nfs/dbraw/zinc/66/45/16/390664516.db2.gz BBTFMYNBUCYDDF-MWLCHTKSSA-N 2 2 251.334 0.549 20 0 CCADLP Cc1c[nH+]c(C)nc1NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000567062168 390669173 /nfs/dbraw/zinc/66/91/73/390669173.db2.gz UVDYHNFNTYJVSQ-ZDUSSCGKSA-N 2 2 291.399 0.515 20 0 CCADLP Cc1c[nH+]c(C)nc1NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000567062168 390669176 /nfs/dbraw/zinc/66/91/76/390669176.db2.gz UVDYHNFNTYJVSQ-ZDUSSCGKSA-N 2 2 291.399 0.515 20 0 CCADLP C[NH2+]CCC[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000571408110 390734559 /nfs/dbraw/zinc/73/45/59/390734559.db2.gz QTNYKADQZRCGMR-OAHLLOKOSA-N 3 2 268.449 0.696 20 0 CCADLP COCC[NH2+]CC(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000646554140 390693001 /nfs/dbraw/zinc/69/30/01/390693001.db2.gz SBIASVVJGBBNCE-LLVKDONJSA-N 2 2 254.334 0.459 20 0 CCADLP O=C(NCCNc1cc[nH+]cc1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000567355890 390694702 /nfs/dbraw/zinc/69/47/02/390694702.db2.gz UDUFEKFBSYYTGF-GFCCVEGCSA-N 2 2 285.351 0.491 20 0 CCADLP C[C@H](O)CNc1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)nc[nH+]1 ZINC000572006112 390763164 /nfs/dbraw/zinc/76/31/64/390763164.db2.gz DLAQSDWESJTZFS-RYUDHWBXSA-N 2 2 291.399 0.587 20 0 CCADLP C[C@H](O)CNc1cc(NC[C@@H]2CC[N@H+](C3CC3)C2)nc[nH+]1 ZINC000572006112 390763167 /nfs/dbraw/zinc/76/31/67/390763167.db2.gz DLAQSDWESJTZFS-RYUDHWBXSA-N 2 2 291.399 0.587 20 0 CCADLP C[C@H](O)CNc1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)[nH+]cn1 ZINC000572006112 390763169 /nfs/dbraw/zinc/76/31/69/390763169.db2.gz DLAQSDWESJTZFS-RYUDHWBXSA-N 2 2 291.399 0.587 20 0 CCADLP C[C@H](O)CNc1cc(NC[C@@H]2CC[N@H+](C3CC3)C2)[nH+]cn1 ZINC000572006112 390763171 /nfs/dbraw/zinc/76/31/71/390763171.db2.gz DLAQSDWESJTZFS-RYUDHWBXSA-N 2 2 291.399 0.587 20 0 CCADLP C[C@@H](O)CNc1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)nc[nH+]1 ZINC000572006113 390763437 /nfs/dbraw/zinc/76/34/37/390763437.db2.gz DLAQSDWESJTZFS-VXGBXAGGSA-N 2 2 291.399 0.587 20 0 CCADLP C[C@@H](O)CNc1cc(NC[C@H]2CC[N@H+](C3CC3)C2)nc[nH+]1 ZINC000572006113 390763439 /nfs/dbraw/zinc/76/34/39/390763439.db2.gz DLAQSDWESJTZFS-VXGBXAGGSA-N 2 2 291.399 0.587 20 0 CCADLP C[C@@H](O)CNc1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)[nH+]cn1 ZINC000572006113 390763441 /nfs/dbraw/zinc/76/34/41/390763441.db2.gz DLAQSDWESJTZFS-VXGBXAGGSA-N 2 2 291.399 0.587 20 0 CCADLP C[C@@H](O)CNc1cc(NC[C@H]2CC[N@H+](C3CC3)C2)[nH+]cn1 ZINC000572006113 390763442 /nfs/dbraw/zinc/76/34/42/390763442.db2.gz DLAQSDWESJTZFS-VXGBXAGGSA-N 2 2 291.399 0.587 20 0 CCADLP OC[C@@]1([NH2+]CCn2cc[nH+]c2)COc2ccccc2C1 ZINC000528645304 390765984 /nfs/dbraw/zinc/76/59/84/390765984.db2.gz MNILKJVJHJXXPE-OAHLLOKOSA-N 2 2 273.336 0.839 20 0 CCADLP Cc1cccc2[nH+]c(CCNC(=O)[C@@H]3C[NH2+]CCO3)cn21 ZINC000647098066 390775005 /nfs/dbraw/zinc/77/50/05/390775005.db2.gz FLCBPEPAGDCUPA-ZDUSSCGKSA-N 2 2 288.351 0.290 20 0 CCADLP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@H](O)C[NH+](C)C)c1 ZINC000572404529 390781989 /nfs/dbraw/zinc/78/19/89/390781989.db2.gz NQPCDWPTRMIVDC-GJZGRUSLSA-N 2 2 296.411 0.555 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC(=O)N(C(C)C)C2)n1C ZINC000572618197 390793051 /nfs/dbraw/zinc/79/30/51/390793051.db2.gz UYWXAABRHLGAKE-LLVKDONJSA-N 2 2 250.346 0.827 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@H]2COCC2(C)C)C[C@H](C)O1 ZINC000575086301 335063477 /nfs/dbraw/zinc/06/34/77/335063477.db2.gz SCBRBTWJYHWKNE-RQJABVFESA-N 2 2 286.416 0.471 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@H](C)C[C@H](C)[NH3+])CCO1 ZINC000572719267 390798984 /nfs/dbraw/zinc/79/89/84/390798984.db2.gz RKBJFNWOKWWOTK-YNEHKIRRSA-N 2 2 286.420 0.522 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@H](C)C[C@H](C)[NH3+])CCO1 ZINC000572719267 390798985 /nfs/dbraw/zinc/79/89/85/390798985.db2.gz RKBJFNWOKWWOTK-YNEHKIRRSA-N 2 2 286.420 0.522 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@H]2COCC2(C)C)C[C@H](C)O1 ZINC000575086301 335063478 /nfs/dbraw/zinc/06/34/78/335063478.db2.gz SCBRBTWJYHWKNE-RQJABVFESA-N 2 2 286.416 0.471 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000577999121 390857649 /nfs/dbraw/zinc/85/76/49/390857649.db2.gz VQLHOERKAQVTDI-CYBMUJFWSA-N 2 2 286.420 0.394 20 0 CCADLP C[N@@H+]1CCN(C(=O)C2=Cc3ccccc3OC2)[C@@H](C[NH3+])C1 ZINC000572876501 390809119 /nfs/dbraw/zinc/80/91/19/390809119.db2.gz IXYSVRZQBIAEIZ-AWEZNQCLSA-N 2 2 287.363 0.564 20 0 CCADLP C[N@H+]1CCN(C(=O)C2=Cc3ccccc3OC2)[C@@H](C[NH3+])C1 ZINC000572876501 390809122 /nfs/dbraw/zinc/80/91/22/390809122.db2.gz IXYSVRZQBIAEIZ-AWEZNQCLSA-N 2 2 287.363 0.564 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000572907791 390811286 /nfs/dbraw/zinc/81/12/86/390811286.db2.gz CBSNLVLTUXRZTC-CYBMUJFWSA-N 2 2 294.399 0.530 20 0 CCADLP COc1ccsc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000572975593 390816050 /nfs/dbraw/zinc/81/60/50/390816050.db2.gz YSTVUIVTJMOPBT-NXEZZACHSA-N 2 2 281.381 0.501 20 0 CCADLP COc1ccsc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000572975593 390816053 /nfs/dbraw/zinc/81/60/53/390816053.db2.gz YSTVUIVTJMOPBT-NXEZZACHSA-N 2 2 281.381 0.501 20 0 CCADLP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000647516156 390828923 /nfs/dbraw/zinc/82/89/23/390828923.db2.gz RJWLPOAJEWUCLV-HOTGVXAUSA-N 3 2 280.460 0.698 20 0 CCADLP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000647516156 390828925 /nfs/dbraw/zinc/82/89/25/390828925.db2.gz RJWLPOAJEWUCLV-HOTGVXAUSA-N 3 2 280.460 0.698 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCC2(CO)CC2)C[C@H](C)O1 ZINC000647530322 390834394 /nfs/dbraw/zinc/83/43/94/390834394.db2.gz SDILYCGOGFLPSH-MJBXVCDLSA-N 2 2 286.416 0.209 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCC2(CO)CC2)C[C@H](C)O1 ZINC000647530322 390834396 /nfs/dbraw/zinc/83/43/96/390834396.db2.gz SDILYCGOGFLPSH-MJBXVCDLSA-N 2 2 286.416 0.209 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+][C@@H]2CCC[C@@H]2CO)C[C@@H](C)O1 ZINC000647537020 390836038 /nfs/dbraw/zinc/83/60/38/390836038.db2.gz ARDJEFDDPJAEGW-ARILJUKYSA-N 2 2 286.416 0.207 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@H]2C[C@@H]3CCCCN3C2=O)C1 ZINC000647551877 390840827 /nfs/dbraw/zinc/84/08/27/390840827.db2.gz UJWCUEHKHIZWED-RNJOBUHISA-N 2 2 251.374 0.727 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CC[C@H](O)CC1 ZINC000578664766 390897796 /nfs/dbraw/zinc/89/77/96/390897796.db2.gz XNGSLZUAOHVTAD-MGPQQGTHSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CC[C@H](O)CC1 ZINC000578664766 390897798 /nfs/dbraw/zinc/89/77/98/390897798.db2.gz XNGSLZUAOHVTAD-MGPQQGTHSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000578664766 390897800 /nfs/dbraw/zinc/89/78/00/390897800.db2.gz XNGSLZUAOHVTAD-MGPQQGTHSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000578664766 390897802 /nfs/dbraw/zinc/89/78/02/390897802.db2.gz XNGSLZUAOHVTAD-MGPQQGTHSA-N 2 2 274.405 0.161 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ncccc3O)C2)CC1 ZINC000578698851 390898227 /nfs/dbraw/zinc/89/82/27/390898227.db2.gz MNTWGKROPKXWDB-AWEZNQCLSA-N 2 2 290.411 0.999 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ncccc3O)C2)CC1 ZINC000578698851 390898228 /nfs/dbraw/zinc/89/82/28/390898228.db2.gz MNTWGKROPKXWDB-AWEZNQCLSA-N 2 2 290.411 0.999 20 0 CCADLP C[C@@H]1CCN(c2nc3c(cnn3C)c(N)[nH+]2)C[C@@H]1C[NH3+] ZINC000578851573 390904601 /nfs/dbraw/zinc/90/46/01/390904601.db2.gz QTEDSVQFPOPICQ-BDAKNGLRSA-N 2 2 275.360 0.367 20 0 CCADLP Cc1[nH+]cc(C[NH2+]C[C@@H](O)COCC2CC2)n1C ZINC000578907279 390907635 /nfs/dbraw/zinc/90/76/35/390907635.db2.gz YNXNLTYAZXZKSL-CYBMUJFWSA-N 2 2 253.346 0.606 20 0 CCADLP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)CO2 ZINC000453105967 533266228 /nfs/dbraw/zinc/26/62/28/533266228.db2.gz XTWHFRDEKRCXFZ-OLZOCXBDSA-N 2 2 280.368 0.511 20 0 CCADLP C[C@@H](CC[NH3+])NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000417933028 533579220 /nfs/dbraw/zinc/57/92/20/533579220.db2.gz XBAJDQUOFZVVGL-RYUDHWBXSA-N 2 2 277.372 0.697 20 0 CCADLP COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000419358007 533532216 /nfs/dbraw/zinc/53/22/16/533532216.db2.gz OUNWOVBWGMTTMF-CHWSQXEVSA-N 2 2 297.399 0.224 20 0 CCADLP COC(=O)CNC(=O)[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000419358007 533532220 /nfs/dbraw/zinc/53/22/20/533532220.db2.gz OUNWOVBWGMTTMF-CHWSQXEVSA-N 2 2 297.399 0.224 20 0 CCADLP COC(=O)CNC(=O)[C@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000419358007 533532223 /nfs/dbraw/zinc/53/22/23/533532223.db2.gz OUNWOVBWGMTTMF-CHWSQXEVSA-N 2 2 297.399 0.224 20 0 CCADLP COC(=O)CNC(=O)[C@H]1CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000419358007 533532227 /nfs/dbraw/zinc/53/22/27/533532227.db2.gz OUNWOVBWGMTTMF-CHWSQXEVSA-N 2 2 297.399 0.224 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC[NH2+]1 ZINC000423624210 533633325 /nfs/dbraw/zinc/63/33/25/533633325.db2.gz PGYUHMNYAYXOGS-IPYPFGDCSA-N 2 2 295.427 0.887 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC[NH2+]1 ZINC000423624210 533633328 /nfs/dbraw/zinc/63/33/28/533633328.db2.gz PGYUHMNYAYXOGS-IPYPFGDCSA-N 2 2 295.427 0.887 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2cnn(C)c2)CC[N@@H+]1C ZINC000358375022 533658369 /nfs/dbraw/zinc/65/83/69/533658369.db2.gz GWMFSTFAYMAWPR-WXHSDQCUSA-N 2 2 252.362 0.526 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2cnn(C)c2)CC[N@H+]1C ZINC000358375022 533658371 /nfs/dbraw/zinc/65/83/71/533658371.db2.gz GWMFSTFAYMAWPR-WXHSDQCUSA-N 2 2 252.362 0.526 20 0 CCADLP C[C@@H](O)C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC(F)F ZINC000451824459 533655186 /nfs/dbraw/zinc/65/51/86/533655186.db2.gz BZBYOQXILWANSE-LLVKDONJSA-N 2 2 293.358 0.098 20 0 CCADLP C[C@@H](O)C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC(F)F ZINC000451824459 533655198 /nfs/dbraw/zinc/65/51/98/533655198.db2.gz BZBYOQXILWANSE-LLVKDONJSA-N 2 2 293.358 0.098 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccncc3)C[C@H]21 ZINC000342077306 130240087 /nfs/dbraw/zinc/24/00/87/130240087.db2.gz BEAZJYMEYWNHQZ-IACUBPJLSA-N 2 2 274.368 0.501 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccncc3)C[C@H]21 ZINC000342077306 130240089 /nfs/dbraw/zinc/24/00/89/130240089.db2.gz BEAZJYMEYWNHQZ-IACUBPJLSA-N 2 2 274.368 0.501 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H](C)Cn2cncn2)C1 ZINC000657823756 413063515 /nfs/dbraw/zinc/06/35/15/413063515.db2.gz AZVSZCQGYKYBLX-ZIAGYGMSSA-N 2 2 281.404 0.613 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H](C)Cn2cncn2)C1 ZINC000657823756 413063521 /nfs/dbraw/zinc/06/35/21/413063521.db2.gz AZVSZCQGYKYBLX-ZIAGYGMSSA-N 2 2 281.404 0.613 20 0 CCADLP C[C@H](Cn1cncn1)[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000657831176 413065693 /nfs/dbraw/zinc/06/56/93/413065693.db2.gz YXLQDMHCYRFVKB-MGPQQGTHSA-N 2 2 281.404 0.756 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(OCCCO)CC1)C1CC1 ZINC000685566448 545834863 /nfs/dbraw/zinc/83/48/63/545834863.db2.gz FGIKBAGKKZOLHR-CQSZACIVSA-N 2 2 286.416 0.305 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(OCCCO)CC1)C1CC1 ZINC000685566448 545834867 /nfs/dbraw/zinc/83/48/67/545834867.db2.gz FGIKBAGKKZOLHR-CQSZACIVSA-N 2 2 286.416 0.305 20 0 CCADLP Cc1[nH]c2ccc(NC(=O)CN3CC[NH2+]CC3)cc2[nH+]1 ZINC000037631854 397384262 /nfs/dbraw/zinc/38/42/62/397384262.db2.gz NBAPADUYIPFQNG-UHFFFAOYSA-N 2 2 273.340 0.715 20 0 CCADLP C[C@H]([NH3+])CC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000037802795 397385395 /nfs/dbraw/zinc/38/53/95/397385395.db2.gz CILKTBURUCYVOF-LBPRGKRZSA-N 2 2 262.357 0.463 20 0 CCADLP O=C([C@@H]1CCCC[NH2+]1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000037799510 397386278 /nfs/dbraw/zinc/38/62/78/397386278.db2.gz GRRRYKSGKTVCSY-KGLIPLIRSA-N 2 2 281.400 0.452 20 0 CCADLP Cc1cccc(NC[C@@H](O)C[NH+]2CCOCC2)[nH+]1 ZINC000034582973 397375556 /nfs/dbraw/zinc/37/55/56/397375556.db2.gz AYSPMCSQOIEIHY-GFCCVEGCSA-N 2 2 251.330 0.495 20 0 CCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC000356902299 144042610 /nfs/dbraw/zinc/04/26/10/144042610.db2.gz QQQCLSMIKPRYMM-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)NC(C1CC1)C1CC1 ZINC000357074572 144057080 /nfs/dbraw/zinc/05/70/80/144057080.db2.gz IGUFZOQBRHUSOM-UONOGXRCSA-N 2 2 277.412 0.833 20 0 CCADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)NC(C1CC1)C1CC1 ZINC000357074572 144057082 /nfs/dbraw/zinc/05/70/82/144057082.db2.gz IGUFZOQBRHUSOM-UONOGXRCSA-N 2 2 277.412 0.833 20 0 CCADLP c1nc2cnccn2c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357105875 144061008 /nfs/dbraw/zinc/06/10/08/144061008.db2.gz OFSKHBQWQCHPRM-NEPJUHHUSA-N 2 2 257.341 0.771 20 0 CCADLP c1nc2cnccn2c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357105875 144061009 /nfs/dbraw/zinc/06/10/09/144061009.db2.gz OFSKHBQWQCHPRM-NEPJUHHUSA-N 2 2 257.341 0.771 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]C2(CCO)CCCCC2)CC1 ZINC000357389815 144086850 /nfs/dbraw/zinc/08/68/50/144086850.db2.gz MCULDPNLEUTKIM-UHFFFAOYSA-N 2 2 283.416 0.435 20 0 CCADLP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000357904975 144131811 /nfs/dbraw/zinc/13/18/11/144131811.db2.gz BRALLAAQBCYJKM-WDEREUQCSA-N 2 2 294.742 0.327 20 0 CCADLP C[C@@H](NC(=O)[C@H](C)[NH+]1CCOCC1)C1=CC[N@H+](C)CC1 ZINC000357906481 144131855 /nfs/dbraw/zinc/13/18/55/144131855.db2.gz LJBQPJIHPIZZIO-OLZOCXBDSA-N 2 2 281.400 0.474 20 0 CCADLP C[C@@H](NC(=O)[C@H](C)[NH+]1CCOCC1)C1=CC[N@@H+](C)CC1 ZINC000357906481 144131856 /nfs/dbraw/zinc/13/18/56/144131856.db2.gz LJBQPJIHPIZZIO-OLZOCXBDSA-N 2 2 281.400 0.474 20 0 CCADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCC2)C1 ZINC000357951204 144136354 /nfs/dbraw/zinc/13/63/54/144136354.db2.gz YWWURRCTMKOPBR-CYBMUJFWSA-N 2 2 253.390 0.882 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCC2)C1 ZINC000357951204 144136355 /nfs/dbraw/zinc/13/63/55/144136355.db2.gz YWWURRCTMKOPBR-CYBMUJFWSA-N 2 2 253.390 0.882 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC000357951204 144136356 /nfs/dbraw/zinc/13/63/56/144136356.db2.gz YWWURRCTMKOPBR-CYBMUJFWSA-N 2 2 253.390 0.882 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC000357951204 144136357 /nfs/dbraw/zinc/13/63/57/144136357.db2.gz YWWURRCTMKOPBR-CYBMUJFWSA-N 2 2 253.390 0.882 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCS(=O)(=O)NC(C)C)C1 ZINC000358018330 144142645 /nfs/dbraw/zinc/14/26/45/144142645.db2.gz AQSGGIWZRYADMQ-VXGBXAGGSA-N 2 2 277.434 0.244 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCS(=O)(=O)NC(C)C)C1 ZINC000358018330 144142646 /nfs/dbraw/zinc/14/26/46/144142646.db2.gz AQSGGIWZRYADMQ-VXGBXAGGSA-N 2 2 277.434 0.244 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCNC(=O)c2ccco2)C1 ZINC000358067276 144148734 /nfs/dbraw/zinc/14/87/34/144148734.db2.gz XHIQAQFVOJIQPO-VXGBXAGGSA-N 2 2 265.357 0.939 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCNC(=O)c2ccco2)C1 ZINC000358067276 144148735 /nfs/dbraw/zinc/14/87/35/144148735.db2.gz XHIQAQFVOJIQPO-VXGBXAGGSA-N 2 2 265.357 0.939 20 0 CCADLP CCc1nn(C)c(CC)c1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358112458 144152770 /nfs/dbraw/zinc/15/27/70/144152770.db2.gz BLHJRNSYJXQANV-HNNXBMFYSA-N 2 2 280.416 0.701 20 0 CCADLP CCc1nn(C)c(CC)c1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358112458 144152772 /nfs/dbraw/zinc/15/27/72/144152772.db2.gz BLHJRNSYJXQANV-HNNXBMFYSA-N 2 2 280.416 0.701 20 0 CCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@H](C)[NH+](C)[C@@H](C)C2)C1 ZINC000358664113 144169892 /nfs/dbraw/zinc/16/98/92/144169892.db2.gz LGUASFSIWJABAC-IHRRRGAJSA-N 2 2 283.416 0.647 20 0 CCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@H](C)[NH+](C)[C@@H](C)C2)C1 ZINC000358664113 144169893 /nfs/dbraw/zinc/16/98/93/144169893.db2.gz LGUASFSIWJABAC-IHRRRGAJSA-N 2 2 283.416 0.647 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCO[C@@H](C(C)C)C1 ZINC000381116013 397484698 /nfs/dbraw/zinc/48/46/98/397484698.db2.gz DAQPPPKMZUYQRL-LSDHHAIUSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCO[C@@H](C(C)C)C1 ZINC000381116013 397484701 /nfs/dbraw/zinc/48/47/01/397484701.db2.gz DAQPPPKMZUYQRL-LSDHHAIUSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCO[C@@H](C(C)C)C1 ZINC000381116013 397484702 /nfs/dbraw/zinc/48/47/02/397484702.db2.gz DAQPPPKMZUYQRL-LSDHHAIUSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCO[C@@H](C(C)C)C1 ZINC000381116013 397484706 /nfs/dbraw/zinc/48/47/06/397484706.db2.gz DAQPPPKMZUYQRL-LSDHHAIUSA-N 2 2 288.432 0.672 20 0 CCADLP COCCCn1nccc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000368541046 144231327 /nfs/dbraw/zinc/23/13/27/144231327.db2.gz WGEHKYPZHYSDRF-OKILXGFUSA-N 2 2 278.400 0.913 20 0 CCADLP COCCCn1nccc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000368541046 144231329 /nfs/dbraw/zinc/23/13/29/144231329.db2.gz WGEHKYPZHYSDRF-OKILXGFUSA-N 2 2 278.400 0.913 20 0 CCADLP COCCCn1nccc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000368541046 144231331 /nfs/dbraw/zinc/23/13/31/144231331.db2.gz WGEHKYPZHYSDRF-OKILXGFUSA-N 2 2 278.400 0.913 20 0 CCADLP COCCCn1nccc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000368541046 144231332 /nfs/dbraw/zinc/23/13/32/144231332.db2.gz WGEHKYPZHYSDRF-OKILXGFUSA-N 2 2 278.400 0.913 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cnsn3)C2)CC1 ZINC000369276954 144261625 /nfs/dbraw/zinc/26/16/25/144261625.db2.gz JNVIZUJUXVCQJE-JTQLQIEISA-N 2 2 295.412 0.436 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cnsn3)C2)CC1 ZINC000369276954 144261626 /nfs/dbraw/zinc/26/16/26/144261626.db2.gz JNVIZUJUXVCQJE-JTQLQIEISA-N 2 2 295.412 0.436 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000370657923 144311784 /nfs/dbraw/zinc/31/17/84/144311784.db2.gz LVVUPYSZKQUZCV-WDEREUQCSA-N 2 2 273.340 0.867 20 0 CCADLP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000372746586 144379984 /nfs/dbraw/zinc/37/99/84/144379984.db2.gz CLXIXSOBGAPHRD-OLZOCXBDSA-N 2 2 276.384 0.904 20 0 CCADLP CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000372746586 144379985 /nfs/dbraw/zinc/37/99/85/144379985.db2.gz CLXIXSOBGAPHRD-OLZOCXBDSA-N 2 2 276.384 0.904 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccnc1 ZINC000388957256 397508906 /nfs/dbraw/zinc/50/89/06/397508906.db2.gz MPVVFANAAZDWJD-GXTWGEPZSA-N 2 2 267.373 0.671 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccnc1 ZINC000388957256 397508909 /nfs/dbraw/zinc/50/89/09/397508909.db2.gz MPVVFANAAZDWJD-GXTWGEPZSA-N 2 2 267.373 0.671 20 0 CCADLP CC[N@H+](CC(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1)C1CC1 ZINC000615547666 397586446 /nfs/dbraw/zinc/58/64/46/397586446.db2.gz QQKQBZAHIGFHAS-OAHLLOKOSA-N 2 2 295.427 0.794 20 0 CCADLP CC[N@@H+](CC(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1)C1CC1 ZINC000615547666 397586448 /nfs/dbraw/zinc/58/64/48/397586448.db2.gz QQKQBZAHIGFHAS-OAHLLOKOSA-N 2 2 295.427 0.794 20 0 CCADLP COc1cccc(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000649685888 397655653 /nfs/dbraw/zinc/65/56/53/397655653.db2.gz QHRYSLFGKKJMSU-UHFFFAOYSA-N 2 2 291.395 0.901 20 0 CCADLP COc1cccc(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000649685888 397655655 /nfs/dbraw/zinc/65/56/55/397655655.db2.gz QHRYSLFGKKJMSU-UHFFFAOYSA-N 2 2 291.395 0.901 20 0 CCADLP CCn1cc(CC[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)cn1 ZINC000649685960 397655795 /nfs/dbraw/zinc/65/57/95/397655795.db2.gz SYXARSIQJZOEDP-UHFFFAOYSA-N 2 2 293.415 0.151 20 0 CCADLP CCn1cc(CC[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)cn1 ZINC000649685960 397655799 /nfs/dbraw/zinc/65/57/99/397655799.db2.gz SYXARSIQJZOEDP-UHFFFAOYSA-N 2 2 293.415 0.151 20 0 CCADLP Cn1ccc(N2CCC[C@H]([NH+]3CCC(C)([NH3+])CC3)C2=O)n1 ZINC000649416231 397609841 /nfs/dbraw/zinc/60/98/41/397609841.db2.gz ZMDRDXAPPUZOAT-LBPRGKRZSA-N 2 2 291.399 0.729 20 0 CCADLP [NH3+]CC1(CC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000650748440 397753526 /nfs/dbraw/zinc/75/35/26/397753526.db2.gz UIABJDFCQHJTKI-QWHCGFSZSA-N 3 2 253.390 0.472 20 0 CCADLP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000422978228 296576903 /nfs/dbraw/zinc/57/69/03/296576903.db2.gz YUOQTJZDICDYFF-QLFBSQMISA-N 3 2 269.433 0.811 20 0 CCADLP CC(C)[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH+]1CCOCC1 ZINC000548191532 286015209 /nfs/dbraw/zinc/01/52/09/286015209.db2.gz PEWCOOSOKYSVJD-AWEZNQCLSA-N 2 2 294.399 0.436 20 0 CCADLP C[N@H+](CC(=O)N[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CCSC1 ZINC000548311783 286025475 /nfs/dbraw/zinc/02/54/75/286025475.db2.gz DJCZATCTVGEZRM-NWDGAFQWSA-N 2 2 294.424 0.751 20 0 CCADLP C[N@@H+](CC(=O)N[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CCSC1 ZINC000548311783 286025477 /nfs/dbraw/zinc/02/54/77/286025477.db2.gz DJCZATCTVGEZRM-NWDGAFQWSA-N 2 2 294.424 0.751 20 0 CCADLP CCOCCNC(=O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000084696260 286093132 /nfs/dbraw/zinc/09/31/32/286093132.db2.gz IABGKRSHEKTZDP-AWEZNQCLSA-N 2 2 285.432 0.945 20 0 CCADLP CCOCCNC(=O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000084696260 286093134 /nfs/dbraw/zinc/09/31/34/286093134.db2.gz IABGKRSHEKTZDP-AWEZNQCLSA-N 2 2 285.432 0.945 20 0 CCADLP CCOCCNC(=O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000084696260 286093135 /nfs/dbraw/zinc/09/31/35/286093135.db2.gz IABGKRSHEKTZDP-AWEZNQCLSA-N 2 2 285.432 0.945 20 0 CCADLP CCOCCNC(=O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000084696260 286093137 /nfs/dbraw/zinc/09/31/37/286093137.db2.gz IABGKRSHEKTZDP-AWEZNQCLSA-N 2 2 285.432 0.945 20 0 CCADLP CO[C@]1(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CCOC1 ZINC000359419620 286174174 /nfs/dbraw/zinc/17/41/74/286174174.db2.gz KRXMBFIIDGXKJS-YUTCNCBUSA-N 2 2 254.374 0.864 20 0 CCADLP CO[C@]1(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CCOC1 ZINC000359419620 286174175 /nfs/dbraw/zinc/17/41/75/286174175.db2.gz KRXMBFIIDGXKJS-YUTCNCBUSA-N 2 2 254.374 0.864 20 0 CCADLP COCC[NH+]1CCC(NC(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000553052228 286179153 /nfs/dbraw/zinc/17/91/53/286179153.db2.gz JUJZOYFFGZLOHX-UHFFFAOYSA-N 2 2 283.416 0.555 20 0 CCADLP COCCCNC(=O)C1CC[NH+](C[C@@H](C)[NH3+])CC1 ZINC000442662265 292355887 /nfs/dbraw/zinc/35/58/87/292355887.db2.gz HIHCZIAWZUPPHQ-LLVKDONJSA-N 2 2 257.378 0.198 20 0 CCADLP O=C(C[C@H]1CSCC[NH2+]1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659357707 413442784 /nfs/dbraw/zinc/44/27/84/413442784.db2.gz LQBUFGANOUSIAB-QWHCGFSZSA-N 2 2 299.440 0.015 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1cnn(C)c1)[C@@H]1CCC[NH2+]1 ZINC000333640292 287060723 /nfs/dbraw/zinc/06/07/23/287060723.db2.gz XEHFRQQMCZKSGG-CABNGKKXSA-N 2 2 264.373 0.980 20 0 CCADLP C[N@H+](CCC[NH3+])CC(=O)NCCc1ccc(F)cc1 ZINC000123271294 411711296 /nfs/dbraw/zinc/71/12/96/411711296.db2.gz OQUGSZOSOGVYII-UHFFFAOYSA-N 2 2 267.348 0.765 20 0 CCADLP C[N@@H+](CCC[NH3+])CC(=O)NCCc1ccc(F)cc1 ZINC000123271294 411711300 /nfs/dbraw/zinc/71/13/00/411711300.db2.gz OQUGSZOSOGVYII-UHFFFAOYSA-N 2 2 267.348 0.765 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000070362333 411692712 /nfs/dbraw/zinc/69/27/12/411692712.db2.gz MXYADXJGBHGIBE-STQMWFEESA-N 2 2 255.406 0.779 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000070362333 411692717 /nfs/dbraw/zinc/69/27/17/411692717.db2.gz MXYADXJGBHGIBE-STQMWFEESA-N 2 2 255.406 0.779 20 0 CCADLP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)CCn1cc[nH+]c1)C2 ZINC000311462410 411749910 /nfs/dbraw/zinc/74/99/10/411749910.db2.gz MHMKREFAXUITCM-JSGCOSHPSA-N 2 2 262.357 0.861 20 0 CCADLP CCn1cc[nH+]c1CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405206200 411799445 /nfs/dbraw/zinc/79/94/45/411799445.db2.gz AJPQHHLZMRFVSP-NWDGAFQWSA-N 2 2 250.346 0.154 20 0 CCADLP CCn1cc[nH+]c1CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405206200 411799451 /nfs/dbraw/zinc/79/94/51/411799451.db2.gz AJPQHHLZMRFVSP-NWDGAFQWSA-N 2 2 250.346 0.154 20 0 CCADLP CCO[C@@H]1C[N@H+](CC(=O)N[C@@H](C)CC)C[C@H]1C[NH3+] ZINC000405838070 411803798 /nfs/dbraw/zinc/80/37/98/411803798.db2.gz DGQYOZLKIYTBOE-QJPTWQEYSA-N 2 2 257.378 0.197 20 0 CCADLP CCO[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)CC)C[C@H]1C[NH3+] ZINC000405838070 411803801 /nfs/dbraw/zinc/80/38/01/411803801.db2.gz DGQYOZLKIYTBOE-QJPTWQEYSA-N 2 2 257.378 0.197 20 0 CCADLP C[NH+](C)C[C@@](C)(O)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651565875 411898420 /nfs/dbraw/zinc/89/84/20/411898420.db2.gz DEQCOSIVPXDJKN-HNNXBMFYSA-N 2 2 294.399 0.191 20 0 CCADLP C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC000652323503 412027655 /nfs/dbraw/zinc/02/76/55/412027655.db2.gz JBSZONRSPHXWSH-GXTWGEPZSA-N 2 2 288.395 0.924 20 0 CCADLP C[N@H+]1C[C@@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC000652323503 412027658 /nfs/dbraw/zinc/02/76/58/412027658.db2.gz JBSZONRSPHXWSH-GXTWGEPZSA-N 2 2 288.395 0.924 20 0 CCADLP C[C@H](CC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21)n1cc[nH+]c1 ZINC000652322609 412027789 /nfs/dbraw/zinc/02/77/89/412027789.db2.gz PNGOTDULCBTWMV-AGIUHOORSA-N 2 2 262.357 0.997 20 0 CCADLP C[C@H](CC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21)n1cc[nH+]c1 ZINC000652322609 412027793 /nfs/dbraw/zinc/02/77/93/412027793.db2.gz PNGOTDULCBTWMV-AGIUHOORSA-N 2 2 262.357 0.997 20 0 CCADLP C[C@H](CC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21)n1cc[nH+]c1 ZINC000652322612 412027825 /nfs/dbraw/zinc/02/78/25/412027825.db2.gz PNGOTDULCBTWMV-UPJWGTAASA-N 2 2 262.357 0.997 20 0 CCADLP C[C@H](CC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21)n1cc[nH+]c1 ZINC000652322612 412027829 /nfs/dbraw/zinc/02/78/29/412027829.db2.gz PNGOTDULCBTWMV-UPJWGTAASA-N 2 2 262.357 0.997 20 0 CCADLP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020434056 171198778 /nfs/dbraw/zinc/19/87/78/171198778.db2.gz SIZUHYDEYSPLPR-LSDHHAIUSA-N 2 2 289.379 0.054 20 0 CCADLP CC(C)Cc1nnc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)s1 ZINC000653057488 412203359 /nfs/dbraw/zinc/20/33/59/412203359.db2.gz DNRQPFRJANRVOT-SECBINFHSA-N 2 2 285.417 0.954 20 0 CCADLP COc1cccc(NCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000653055127 412203762 /nfs/dbraw/zinc/20/37/62/412203762.db2.gz PBLBFSQPGZNBCX-ZDUSSCGKSA-N 2 2 292.383 0.208 20 0 CCADLP COc1cccc(NCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000653055127 412203767 /nfs/dbraw/zinc/20/37/67/412203767.db2.gz PBLBFSQPGZNBCX-ZDUSSCGKSA-N 2 2 292.383 0.208 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1ccc(F)c(F)c1 ZINC000653064718 412207793 /nfs/dbraw/zinc/20/77/93/412207793.db2.gz BPSRZZUORMRWEJ-GFCCVEGCSA-N 2 2 271.311 0.860 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCCOCC(F)(F)F ZINC000653068386 412207867 /nfs/dbraw/zinc/20/78/67/412207867.db2.gz ALEZBIIQTNUNKM-SECBINFHSA-N 2 2 285.310 0.351 20 0 CCADLP Cc1cccc(CCNC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000653077117 412209601 /nfs/dbraw/zinc/20/96/01/412209601.db2.gz PBGGDKZTGKEYEU-CQSZACIVSA-N 2 2 263.385 0.933 20 0 CCADLP CCCNC(=O)CN(CCC)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653075281 412210309 /nfs/dbraw/zinc/21/03/09/412210309.db2.gz MDQQHLOQGVMCHN-GFCCVEGCSA-N 2 2 286.420 0.030 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(-c2ncon2)cc1 ZINC000653082095 412211329 /nfs/dbraw/zinc/21/13/29/412211329.db2.gz IYYAGHDNIZXRBP-GFCCVEGCSA-N 2 2 289.339 0.954 20 0 CCADLP C[C@H](CC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)n1cc[nH+]c1 ZINC000652894085 412151261 /nfs/dbraw/zinc/15/12/61/412151261.db2.gz IFSUXTYVJKLXPA-DGCLKSJQSA-N 2 2 278.356 0.112 20 0 CCADLP C[C@H](CC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)n1cc[nH+]c1 ZINC000652894085 412151265 /nfs/dbraw/zinc/15/12/65/412151265.db2.gz IFSUXTYVJKLXPA-DGCLKSJQSA-N 2 2 278.356 0.112 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1ncc(C(C)(C)C)o1 ZINC000653091400 412213687 /nfs/dbraw/zinc/21/36/87/412213687.db2.gz TVXWBZQHWWWYQE-JTQLQIEISA-N 2 2 282.388 0.867 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@@H](C)CO1 ZINC000653203509 412259055 /nfs/dbraw/zinc/25/90/55/412259055.db2.gz PCPHAQXBIGWIDJ-TUAOUCFPSA-N 2 2 257.378 0.291 20 0 CCADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H]2CC(=O)NC2=O)CC1 ZINC000653280986 412278317 /nfs/dbraw/zinc/27/83/17/412278317.db2.gz SHZLOBZJFLRVPO-GFCCVEGCSA-N 2 2 289.335 0.648 20 0 CCADLP C[C@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)Oc1ccccc1F ZINC000653096085 412217780 /nfs/dbraw/zinc/21/77/80/412217780.db2.gz CVWYFKSNHAQPPW-DGCLKSJQSA-N 2 2 297.374 0.988 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC(C1CC1)C1CC1 ZINC000653097793 412217834 /nfs/dbraw/zinc/21/78/34/412217834.db2.gz UQKKRLGQKBARKS-ZDUSSCGKSA-N 2 2 253.390 0.818 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@]2(CCCOC2)C1 ZINC000653095524 412217845 /nfs/dbraw/zinc/21/78/45/412217845.db2.gz LTIGOGKYFMKAKK-ZFWWWQNUSA-N 2 2 283.416 0.685 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CCS1 ZINC000653101705 412218731 /nfs/dbraw/zinc/21/87/31/412218731.db2.gz DINXDOKFCOYJJJ-VXGBXAGGSA-N 2 2 273.446 0.865 20 0 CCADLP CC(C)(CNC(=O)[C@@H]1CCC[NH2+]CC1)[NH+]1CCOCC1 ZINC000653105148 412219557 /nfs/dbraw/zinc/21/95/57/412219557.db2.gz HSXZMQNJNLYGDG-CYBMUJFWSA-N 2 2 283.416 0.603 20 0 CCADLP CN(CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1ccccc1 ZINC000653106775 412220328 /nfs/dbraw/zinc/22/03/28/412220328.db2.gz MYNOYMHQPMQDCP-AWEZNQCLSA-N 2 2 278.400 0.518 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000653108071 412221366 /nfs/dbraw/zinc/22/13/66/412221366.db2.gz HOIBBZCWZQKKEZ-HNNXBMFYSA-N 3 2 296.459 0.742 20 0 CCADLP C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653109920 412221912 /nfs/dbraw/zinc/22/19/12/412221912.db2.gz RHLKCSVMGOWPPX-OLZOCXBDSA-N 3 2 270.421 0.114 20 0 CCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653109920 412221916 /nfs/dbraw/zinc/22/19/16/412221916.db2.gz RHLKCSVMGOWPPX-OLZOCXBDSA-N 3 2 270.421 0.114 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC[NH+]1CCCCCC1 ZINC000653109665 412222868 /nfs/dbraw/zinc/22/28/68/412222868.db2.gz JBEWYYDXYGHVDF-CYBMUJFWSA-N 3 2 270.421 0.258 20 0 CCADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653112664 412223902 /nfs/dbraw/zinc/22/39/02/412223902.db2.gz GAHRXSKBXRSECY-LJISPDSOSA-N 3 2 298.475 0.748 20 0 CCADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653112664 412223904 /nfs/dbraw/zinc/22/39/04/412223904.db2.gz GAHRXSKBXRSECY-LJISPDSOSA-N 3 2 298.475 0.748 20 0 CCADLP CN1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)Cc2ccccc21 ZINC000653116511 412227064 /nfs/dbraw/zinc/22/70/64/412227064.db2.gz JWKINNXRWOMAQF-CQSZACIVSA-N 2 2 290.411 0.744 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653116897 412227879 /nfs/dbraw/zinc/22/78/79/412227879.db2.gz XQYHDRBGEUVTFD-BNOWGMLFSA-N 2 2 281.400 0.354 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653116897 412227883 /nfs/dbraw/zinc/22/78/83/412227883.db2.gz XQYHDRBGEUVTFD-BNOWGMLFSA-N 2 2 281.400 0.354 20 0 CCADLP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653121757 412229377 /nfs/dbraw/zinc/22/93/77/412229377.db2.gz BBKKTGGFEBSCTB-KGLIPLIRSA-N 3 2 284.448 0.598 20 0 CCADLP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653121757 412229379 /nfs/dbraw/zinc/22/93/79/412229379.db2.gz BBKKTGGFEBSCTB-KGLIPLIRSA-N 3 2 284.448 0.598 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000653123065 412231689 /nfs/dbraw/zinc/23/16/89/412231689.db2.gz MRMGJXXBHPPMDB-HUUCEWRRSA-N 3 2 296.459 0.456 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000653123065 412231692 /nfs/dbraw/zinc/23/16/92/412231692.db2.gz MRMGJXXBHPPMDB-HUUCEWRRSA-N 3 2 296.459 0.456 20 0 CCADLP Cc1cccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1O ZINC000653129627 412234771 /nfs/dbraw/zinc/23/47/71/412234771.db2.gz CXGAAYQIGNISNY-SNVBAGLBSA-N 2 2 251.330 0.918 20 0 CCADLP Cc1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c(=O)[nH]1 ZINC000653150679 412243602 /nfs/dbraw/zinc/24/36/02/412243602.db2.gz KONGQUZJIOADLT-VIFPVBQESA-N 2 2 252.318 0.313 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000653163416 412247955 /nfs/dbraw/zinc/24/79/55/412247955.db2.gz XQTBYYQRMKZZMC-GJZGRUSLSA-N 3 2 290.411 0.439 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCO[C@H](c2ccco2)C1 ZINC000653175114 412252060 /nfs/dbraw/zinc/25/20/60/412252060.db2.gz OGHUHQKLHFCZDX-AAEUAGOBSA-N 2 2 281.356 0.459 20 0 CCADLP CC(C)C[N@H+](C)CCCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653175999 412253323 /nfs/dbraw/zinc/25/33/23/412253323.db2.gz HTYDUIYSDPDVRO-CYBMUJFWSA-N 3 2 272.437 0.360 20 0 CCADLP CC(C)C[N@@H+](C)CCCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653175999 412253325 /nfs/dbraw/zinc/25/33/25/412253325.db2.gz HTYDUIYSDPDVRO-CYBMUJFWSA-N 3 2 272.437 0.360 20 0 CCADLP CC(C)C[N@H+](C)CCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653176000 412253565 /nfs/dbraw/zinc/25/35/65/412253565.db2.gz HTYDUIYSDPDVRO-ZDUSSCGKSA-N 3 2 272.437 0.360 20 0 CCADLP CC(C)C[N@@H+](C)CCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653176000 412253567 /nfs/dbraw/zinc/25/35/67/412253567.db2.gz HTYDUIYSDPDVRO-ZDUSSCGKSA-N 3 2 272.437 0.360 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+](CC(N)=O)C1CCCC1 ZINC000653544058 412313965 /nfs/dbraw/zinc/31/39/65/412313965.db2.gz KONFYXSEINAXMF-GFCCVEGCSA-N 2 2 257.378 0.029 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](CC(N)=O)C1CCCC1 ZINC000653544058 412313966 /nfs/dbraw/zinc/31/39/66/412313966.db2.gz KONFYXSEINAXMF-GFCCVEGCSA-N 2 2 257.378 0.029 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](CC(N)=O)C1CCCC1 ZINC000653544058 412313971 /nfs/dbraw/zinc/31/39/71/412313971.db2.gz KONFYXSEINAXMF-GFCCVEGCSA-N 2 2 257.378 0.029 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](CC(N)=O)C1CCCC1 ZINC000653544058 412313974 /nfs/dbraw/zinc/31/39/74/412313974.db2.gz KONFYXSEINAXMF-GFCCVEGCSA-N 2 2 257.378 0.029 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1COC ZINC000653564731 412319789 /nfs/dbraw/zinc/31/97/89/412319789.db2.gz JVQFLHWBKLMVTO-STQMWFEESA-N 2 2 260.378 0.036 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1COC ZINC000653564731 412319793 /nfs/dbraw/zinc/31/97/93/412319793.db2.gz JVQFLHWBKLMVTO-STQMWFEESA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1COC ZINC000653564731 412319795 /nfs/dbraw/zinc/31/97/95/412319795.db2.gz JVQFLHWBKLMVTO-STQMWFEESA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1COC ZINC000653564731 412319798 /nfs/dbraw/zinc/31/97/98/412319798.db2.gz JVQFLHWBKLMVTO-STQMWFEESA-N 2 2 260.378 0.036 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@]2(C1)CCCOC2 ZINC000653664961 412332142 /nfs/dbraw/zinc/33/21/42/412332142.db2.gz DSJHLEUDJKEINB-CABCVRRESA-N 2 2 286.416 0.428 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@]2(C1)CCCOC2 ZINC000653664961 412332144 /nfs/dbraw/zinc/33/21/44/412332144.db2.gz DSJHLEUDJKEINB-CABCVRRESA-N 2 2 286.416 0.428 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000653664961 412332149 /nfs/dbraw/zinc/33/21/49/412332149.db2.gz DSJHLEUDJKEINB-CABCVRRESA-N 2 2 286.416 0.428 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000653664961 412332152 /nfs/dbraw/zinc/33/21/52/412332152.db2.gz DSJHLEUDJKEINB-CABCVRRESA-N 2 2 286.416 0.428 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@]2(CC2(F)F)C1 ZINC000653780138 412347101 /nfs/dbraw/zinc/34/71/01/412347101.db2.gz XZIYNMRZWCOQDT-VXGBXAGGSA-N 2 2 278.343 0.657 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@]2(CC2(F)F)C1 ZINC000653780138 412347104 /nfs/dbraw/zinc/34/71/04/412347104.db2.gz XZIYNMRZWCOQDT-VXGBXAGGSA-N 2 2 278.343 0.657 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000653780138 412347106 /nfs/dbraw/zinc/34/71/06/412347106.db2.gz XZIYNMRZWCOQDT-VXGBXAGGSA-N 2 2 278.343 0.657 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000653780138 412347111 /nfs/dbraw/zinc/34/71/11/412347111.db2.gz XZIYNMRZWCOQDT-VXGBXAGGSA-N 2 2 278.343 0.657 20 0 CCADLP Cc1cc(NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c(C)c[nH+]1 ZINC000654026000 412367570 /nfs/dbraw/zinc/36/75/70/412367570.db2.gz XSQFJMAPUSWWIB-QWHCGFSZSA-N 2 2 290.367 0.403 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cccc2cnncc21 ZINC000653347778 412292743 /nfs/dbraw/zinc/29/27/43/412292743.db2.gz PCJBRWKWTSBUOU-LBPRGKRZSA-N 2 2 273.340 0.847 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000655140641 412488721 /nfs/dbraw/zinc/48/87/21/412488721.db2.gz VGLJVCZJLKAETJ-NWDGAFQWSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000655140641 412488723 /nfs/dbraw/zinc/48/87/23/412488723.db2.gz VGLJVCZJLKAETJ-NWDGAFQWSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000655140641 412488724 /nfs/dbraw/zinc/48/87/24/412488724.db2.gz VGLJVCZJLKAETJ-NWDGAFQWSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000655140641 412488726 /nfs/dbraw/zinc/48/87/26/412488726.db2.gz VGLJVCZJLKAETJ-NWDGAFQWSA-N 2 2 280.372 0.113 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000659449474 413511170 /nfs/dbraw/zinc/51/11/70/413511170.db2.gz GANMRMQZIPQLFD-LLVKDONJSA-N 2 2 272.393 0.004 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000659449474 413511177 /nfs/dbraw/zinc/51/11/77/413511177.db2.gz GANMRMQZIPQLFD-LLVKDONJSA-N 2 2 272.393 0.004 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000659493647 413548831 /nfs/dbraw/zinc/54/88/31/413548831.db2.gz JKIGRABTCZQXJT-IUCAKERBSA-N 2 2 251.334 0.174 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000659493647 413548838 /nfs/dbraw/zinc/54/88/38/413548838.db2.gz JKIGRABTCZQXJT-IUCAKERBSA-N 2 2 251.334 0.174 20 0 CCADLP [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000659553492 413644811 /nfs/dbraw/zinc/64/48/11/413644811.db2.gz IMLIJBGPLGRDKC-RDBSUJKOSA-N 2 2 296.415 0.230 20 0 CCADLP C[C@H](CCC[NH3+])NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000659554882 413648377 /nfs/dbraw/zinc/64/83/77/413648377.db2.gz VYCIAPFYHGUUCY-ZJUUUORDSA-N 2 2 253.350 0.908 20 0 CCADLP C[C@H](NC(=O)NC[C@@H]([NH3+])C1CC1)c1[nH+]ccn1C ZINC000659529167 413608818 /nfs/dbraw/zinc/60/88/18/413608818.db2.gz ZPUYHGJVAZHHCU-WCBMZHEXSA-N 2 2 251.334 0.518 20 0 CCADLP C[C@@H](CC[NH3+])NC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000659531267 413612074 /nfs/dbraw/zinc/61/20/74/413612074.db2.gz ZTIKTEIMJHCURN-ZDUSSCGKSA-N 2 2 298.431 0.478 20 0 CCADLP C[C@H](NC(=O)NCC1=CC[NH2+]CC1)c1[nH+]ccn1C ZINC000659532847 413616568 /nfs/dbraw/zinc/61/65/68/413616568.db2.gz SYYYUPOLJLOJAV-JTQLQIEISA-N 2 2 263.345 0.700 20 0 CCADLP C[C@@H]([NH3+])CNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000659535987 413618046 /nfs/dbraw/zinc/61/80/46/413618046.db2.gz DCOCFZCLSLMMNL-LLVKDONJSA-N 2 2 277.372 0.828 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000659646734 413751365 /nfs/dbraw/zinc/75/13/65/413751365.db2.gz QNUDGCCDZBDSPS-SNVBAGLBSA-N 2 2 265.361 0.907 20 0 CCADLP O=C(C[C@@H]1COCC[NH2+]1)NCc1ccn2cc[nH+]c2c1 ZINC000285740543 196384123 /nfs/dbraw/zinc/38/41/23/196384123.db2.gz HQUFPFWEPDRFLH-GFCCVEGCSA-N 2 2 274.324 0.329 20 0 CCADLP [NH3+][C@H](C(=O)NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000037393599 173174578 /nfs/dbraw/zinc/17/45/78/173174578.db2.gz SURLRNWPMPRXGO-AWEZNQCLSA-N 2 2 277.368 0.525 20 0 CCADLP CCc1nnc([C@H](C)[N@H+](C)CCCN2CC[NH+](C)CC2)[nH]1 ZINC000660145240 414147680 /nfs/dbraw/zinc/14/76/80/414147680.db2.gz OSSMUCKVANANHW-ZDUSSCGKSA-N 2 2 294.447 0.997 20 0 CCADLP CCc1nnc([C@H](C)[N@@H+](C)CCCN2CC[NH+](C)CC2)[nH]1 ZINC000660145240 414147689 /nfs/dbraw/zinc/14/76/89/414147689.db2.gz OSSMUCKVANANHW-ZDUSSCGKSA-N 2 2 294.447 0.997 20 0 CCADLP C[C@H]1C[NH+](CCN(C)Cc2[nH]cc[nH+]2)C[C@H](C)O1 ZINC000660142476 414148751 /nfs/dbraw/zinc/14/87/51/414148751.db2.gz ZTLZKRKZKGDVGT-RYUDHWBXSA-N 2 2 252.362 0.951 20 0 CCADLP COCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H]1CCOC1 ZINC000660433317 414316635 /nfs/dbraw/zinc/31/66/35/414316635.db2.gz YYPNWRVRGIPAGP-UONOGXRCSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H]1CCOC1 ZINC000660433317 414316640 /nfs/dbraw/zinc/31/66/40/414316640.db2.gz YYPNWRVRGIPAGP-UONOGXRCSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)[C@H]1CCOC1 ZINC000660433317 414316647 /nfs/dbraw/zinc/31/66/47/414316647.db2.gz YYPNWRVRGIPAGP-UONOGXRCSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)[C@H]1CCOC1 ZINC000660433317 414316653 /nfs/dbraw/zinc/31/66/53/414316653.db2.gz YYPNWRVRGIPAGP-UONOGXRCSA-N 2 2 274.405 0.425 20 0 CCADLP C[NH+](C)[C@]1(CNC(=O)C[NH+]2CC(C)(C)C2)CCSC1 ZINC000576765351 335245405 /nfs/dbraw/zinc/24/54/05/335245405.db2.gz HQDVWCMZKDXIPG-AWEZNQCLSA-N 2 2 285.457 0.882 20 0 CCADLP CCN1CC[C@H]([NH+]2CCC(CO)([NH2+]CC3CC3)CC2)C1=O ZINC000660759016 414473332 /nfs/dbraw/zinc/47/33/32/414473332.db2.gz CWRJDTMVHGIQII-AWEZNQCLSA-N 2 2 295.427 0.434 20 0 CCADLP CC(C)C[NH2+]C1(CO)CC[NH+](CCN2CCNC2=O)CC1 ZINC000660698234 414448299 /nfs/dbraw/zinc/44/82/99/414448299.db2.gz ODVQPYKUHDAZPI-UHFFFAOYSA-N 2 2 298.431 0.084 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C1CC1)C1(CO)CCC1 ZINC000660771260 414477960 /nfs/dbraw/zinc/47/79/60/414477960.db2.gz NUWACZCGQJBRDQ-AWEZNQCLSA-N 2 2 286.416 0.305 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C1CC1)C1(CO)CCC1 ZINC000660771260 414477963 /nfs/dbraw/zinc/47/79/63/414477963.db2.gz NUWACZCGQJBRDQ-AWEZNQCLSA-N 2 2 286.416 0.305 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C1CC1)C1(CO)CCC1 ZINC000660771260 414477964 /nfs/dbraw/zinc/47/79/64/414477964.db2.gz NUWACZCGQJBRDQ-AWEZNQCLSA-N 2 2 286.416 0.305 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C1CC1)C1(CO)CCC1 ZINC000660771260 414477967 /nfs/dbraw/zinc/47/79/67/414477967.db2.gz NUWACZCGQJBRDQ-AWEZNQCLSA-N 2 2 286.416 0.305 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)NCCn2cc[nH+]c2)C1 ZINC000660819870 414490623 /nfs/dbraw/zinc/49/06/23/414490623.db2.gz LHGZDJAGOWBUEJ-LBPRGKRZSA-N 2 2 265.361 0.667 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)NCCn2cc[nH+]c2)C1 ZINC000660819870 414490627 /nfs/dbraw/zinc/49/06/27/414490627.db2.gz LHGZDJAGOWBUEJ-LBPRGKRZSA-N 2 2 265.361 0.667 20 0 CCADLP C[C@@H](NC(=O)NC[C@H](C)[NH+](C)C)c1[nH+]ccn1C ZINC000661276162 414588519 /nfs/dbraw/zinc/58/85/19/414588519.db2.gz VMEIQWKBQPYNBN-VHSXEESVSA-N 2 2 253.350 0.730 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661138950 414562134 /nfs/dbraw/zinc/56/21/34/414562134.db2.gz FVQFPXVXTLYODZ-LBPRGKRZSA-N 2 2 260.345 0.576 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661138950 414562137 /nfs/dbraw/zinc/56/21/37/414562137.db2.gz FVQFPXVXTLYODZ-LBPRGKRZSA-N 2 2 260.345 0.576 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCO[C@@](C)(C2CC2)C1 ZINC000661171305 414574567 /nfs/dbraw/zinc/57/45/67/414574567.db2.gz MGFNAUHOMGQCRT-LSDHHAIUSA-N 2 2 286.416 0.426 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCO[C@@](C)(C2CC2)C1 ZINC000661171305 414574572 /nfs/dbraw/zinc/57/45/72/414574572.db2.gz MGFNAUHOMGQCRT-LSDHHAIUSA-N 2 2 286.416 0.426 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661171305 414574577 /nfs/dbraw/zinc/57/45/77/414574577.db2.gz MGFNAUHOMGQCRT-LSDHHAIUSA-N 2 2 286.416 0.426 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661171305 414574582 /nfs/dbraw/zinc/57/45/82/414574582.db2.gz MGFNAUHOMGQCRT-LSDHHAIUSA-N 2 2 286.416 0.426 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N(C)CC1C[NH+](C)C1 ZINC000661229882 414582456 /nfs/dbraw/zinc/58/24/56/414582456.db2.gz NVVOSLCKNWNZSV-UHFFFAOYSA-N 2 2 278.356 0.793 20 0 CCADLP CCC[C@@H](C)NC(=O)[C@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031579 174026380 /nfs/dbraw/zinc/02/63/80/174026380.db2.gz KUPDRQSXVGYMQF-OLZOCXBDSA-N 2 2 298.431 0.043 20 0 CCADLP CCC[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031579 174026382 /nfs/dbraw/zinc/02/63/82/174026382.db2.gz KUPDRQSXVGYMQF-OLZOCXBDSA-N 2 2 298.431 0.043 20 0 CCADLP O=C1CC[C@H]2C[N@H+](CCCn3cc[nH+]c3)CC[C@@H]2N1 ZINC000661599569 414648421 /nfs/dbraw/zinc/64/84/21/414648421.db2.gz DWFQRSOYRFBBCL-STQMWFEESA-N 2 2 262.357 0.874 20 0 CCADLP O=C1CC[C@H]2C[N@@H+](CCCn3cc[nH+]c3)CC[C@@H]2N1 ZINC000661599569 414648423 /nfs/dbraw/zinc/64/84/23/414648423.db2.gz DWFQRSOYRFBBCL-STQMWFEESA-N 2 2 262.357 0.874 20 0 CCADLP O[C@H](C[NH2+]Cc1cccc2c1OCO2)C[NH+]1CCCC1 ZINC000040667370 174367203 /nfs/dbraw/zinc/36/72/03/174367203.db2.gz LOSZEDOIUNJJPK-CYBMUJFWSA-N 2 2 278.352 0.962 20 0 CCADLP Cc1nsc(N2CCC[N@H+](C[C@H]3C[NH2+]CCO3)CC2)n1 ZINC000662263380 414702584 /nfs/dbraw/zinc/70/25/84/414702584.db2.gz MERKAWWDXDMEGU-GFCCVEGCSA-N 2 2 297.428 0.347 20 0 CCADLP Cc1nsc(N2CCC[N@@H+](C[C@H]3C[NH2+]CCO3)CC2)n1 ZINC000662263380 414702585 /nfs/dbraw/zinc/70/25/85/414702585.db2.gz MERKAWWDXDMEGU-GFCCVEGCSA-N 2 2 297.428 0.347 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)CC1=CCSC1 ZINC000662267582 414703355 /nfs/dbraw/zinc/70/33/55/414703355.db2.gz VQGBCVMZGBVETO-CYBMUJFWSA-N 2 2 274.430 0.531 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)CC1=CCSC1 ZINC000662267582 414703356 /nfs/dbraw/zinc/70/33/56/414703356.db2.gz VQGBCVMZGBVETO-CYBMUJFWSA-N 2 2 274.430 0.531 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)CC1=CCSC1 ZINC000662267582 414703357 /nfs/dbraw/zinc/70/33/57/414703357.db2.gz VQGBCVMZGBVETO-CYBMUJFWSA-N 2 2 274.430 0.531 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)CC1=CCSC1 ZINC000662267582 414703358 /nfs/dbraw/zinc/70/33/58/414703358.db2.gz VQGBCVMZGBVETO-CYBMUJFWSA-N 2 2 274.430 0.531 20 0 CCADLP Cc1nnc([C@H](C)[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)[nH]1 ZINC000662278040 414704722 /nfs/dbraw/zinc/70/47/22/414704722.db2.gz ZUKWNGDDNBOWRY-JQWIXIFHSA-N 2 2 264.377 0.154 20 0 CCADLP Cc1nnc([C@H](C)[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)[nH]1 ZINC000662278040 414704723 /nfs/dbraw/zinc/70/47/23/414704723.db2.gz ZUKWNGDDNBOWRY-JQWIXIFHSA-N 2 2 264.377 0.154 20 0 CCADLP CC(C)[C@@H](C[NH2+]Cc1ccn[nH]1)N1CC[NH+](C)CC1 ZINC000040770260 174399850 /nfs/dbraw/zinc/39/98/50/174399850.db2.gz OQDOIRMFSBJRLW-CQSZACIVSA-N 2 2 265.405 0.771 20 0 CCADLP C([C@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000662275710 414704746 /nfs/dbraw/zinc/70/47/46/414704746.db2.gz HDXCITGIUYZTQI-UPJWGTAASA-N 3 2 251.374 0.191 20 0 CCADLP C([C@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000662275710 414704747 /nfs/dbraw/zinc/70/47/47/414704747.db2.gz HDXCITGIUYZTQI-UPJWGTAASA-N 3 2 251.374 0.191 20 0 CCADLP Cc1nnc([C@@H](C)[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)[nH]1 ZINC000662278042 414704771 /nfs/dbraw/zinc/70/47/71/414704771.db2.gz ZUKWNGDDNBOWRY-ZYHUDNBSSA-N 2 2 264.377 0.154 20 0 CCADLP Cc1nnc([C@@H](C)[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)[nH]1 ZINC000662278042 414704772 /nfs/dbraw/zinc/70/47/72/414704772.db2.gz ZUKWNGDDNBOWRY-ZYHUDNBSSA-N 2 2 264.377 0.154 20 0 CCADLP CCc1nnc([C@@H](C)[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)[nH]1 ZINC000662276730 414704809 /nfs/dbraw/zinc/70/48/09/414704809.db2.gz PEMPRWPCPKWRQO-VXGBXAGGSA-N 2 2 278.404 0.408 20 0 CCADLP CCc1nnc([C@@H](C)[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)[nH]1 ZINC000662276730 414704810 /nfs/dbraw/zinc/70/48/10/414704810.db2.gz PEMPRWPCPKWRQO-VXGBXAGGSA-N 2 2 278.404 0.408 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000662278812 414705190 /nfs/dbraw/zinc/70/51/90/414705190.db2.gz MFZFPVUDKQGFIP-KBPBESRZSA-N 2 2 254.374 0.723 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000662278812 414705191 /nfs/dbraw/zinc/70/51/91/414705191.db2.gz MFZFPVUDKQGFIP-KBPBESRZSA-N 2 2 254.374 0.723 20 0 CCADLP Cc1noc([C@H](C)[N@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662282551 414705951 /nfs/dbraw/zinc/70/59/51/414705951.db2.gz CDGQPCLCPHDPRH-ONGXEEELSA-N 2 2 266.345 0.892 20 0 CCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)Nc1cc(F)cc(F)c1 ZINC000662286110 414706568 /nfs/dbraw/zinc/70/65/68/414706568.db2.gz WJRXXCKOCWKQTK-UHFFFAOYSA-N 2 2 299.321 0.607 20 0 CCADLP CN1CCC[C@H]([N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)C1=O ZINC000662324938 414709790 /nfs/dbraw/zinc/70/97/90/414709790.db2.gz FKEYHEUGZFIZBR-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CN1CCC[C@H]([N@H+]2CCO[C@H](CCC[NH+](C)C)C2)C1=O ZINC000662324938 414709791 /nfs/dbraw/zinc/70/97/91/414709791.db2.gz FKEYHEUGZFIZBR-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661853587 414681091 /nfs/dbraw/zinc/68/10/91/414681091.db2.gz VYXGDNXDLXCELE-RDBSUJKOSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661853587 414681093 /nfs/dbraw/zinc/68/10/93/414681093.db2.gz VYXGDNXDLXCELE-RDBSUJKOSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661853587 414681096 /nfs/dbraw/zinc/68/10/96/414681096.db2.gz VYXGDNXDLXCELE-RDBSUJKOSA-N 2 2 274.405 0.425 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(c3ccon3)CC2)CC1 ZINC000662046517 414688936 /nfs/dbraw/zinc/68/89/36/414688936.db2.gz HPVAROLYQHMUBX-UHFFFAOYSA-N 2 2 292.383 0.628 20 0 CCADLP C[C@H](NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)c1[nH+]ccn1C ZINC000662091882 414690382 /nfs/dbraw/zinc/69/03/82/414690382.db2.gz NCZZXTMXXSRGML-SDDRHHMPSA-N 2 2 277.372 0.827 20 0 CCADLP C[C@H](NC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)c1[nH+]ccn1C ZINC000662091882 414690383 /nfs/dbraw/zinc/69/03/83/414690383.db2.gz NCZZXTMXXSRGML-SDDRHHMPSA-N 2 2 277.372 0.827 20 0 CCADLP Nc1cc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)ccn1 ZINC000662152370 414693290 /nfs/dbraw/zinc/69/32/90/414693290.db2.gz SNVRICRUYNRYEO-CQSZACIVSA-N 2 2 276.384 0.695 20 0 CCADLP Nc1cc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)ccn1 ZINC000662152370 414693291 /nfs/dbraw/zinc/69/32/91/414693291.db2.gz SNVRICRUYNRYEO-CQSZACIVSA-N 2 2 276.384 0.695 20 0 CCADLP C[C@@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)[C@@H]1C[NH3+] ZINC000662244987 414698900 /nfs/dbraw/zinc/69/89/00/414698900.db2.gz KPBQYXCJAGRGHP-FRRDWIJNSA-N 3 2 253.390 0.567 20 0 CCADLP C[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)[C@@H]1C[NH3+] ZINC000662244987 414698901 /nfs/dbraw/zinc/69/89/01/414698901.db2.gz KPBQYXCJAGRGHP-FRRDWIJNSA-N 3 2 253.390 0.567 20 0 CCADLP OCC[N@H+](C[C@@H]1C[NH2+]CCO1)[C@@H]1CCc2ccccc21 ZINC000662254267 414700274 /nfs/dbraw/zinc/70/02/74/414700274.db2.gz GQTXKMPBLGVFJJ-GOEBONIOSA-N 2 2 276.380 0.957 20 0 CCADLP OCC[N@@H+](C[C@@H]1C[NH2+]CCO1)[C@@H]1CCc2ccccc21 ZINC000662254267 414700275 /nfs/dbraw/zinc/70/02/75/414700275.db2.gz GQTXKMPBLGVFJJ-GOEBONIOSA-N 2 2 276.380 0.957 20 0 CCADLP CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662257512 414700876 /nfs/dbraw/zinc/70/08/76/414700876.db2.gz PGGBABVZPHKMTD-QLFBSQMISA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662257512 414700877 /nfs/dbraw/zinc/70/08/77/414700877.db2.gz PGGBABVZPHKMTD-QLFBSQMISA-N 2 2 283.416 0.696 20 0 CCADLP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000662738959 414750800 /nfs/dbraw/zinc/75/08/00/414750800.db2.gz KIDAEDQYLVWELV-VXGBXAGGSA-N 2 2 274.324 0.314 20 0 CCADLP C[C@H](CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])[C@H]1CCCO1 ZINC000662430051 414717561 /nfs/dbraw/zinc/71/75/61/414717561.db2.gz UDTRWLIOVAZQOK-JHJVBQTASA-N 2 2 269.389 0.293 20 0 CCADLP C[C@H](CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])[C@H]1CCCO1 ZINC000662430051 414717562 /nfs/dbraw/zinc/71/75/62/414717562.db2.gz UDTRWLIOVAZQOK-JHJVBQTASA-N 2 2 269.389 0.293 20 0 CCADLP Cc1ccn([C@H](C)CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])n1 ZINC000662430422 414717942 /nfs/dbraw/zinc/71/79/42/414717942.db2.gz WLQGTCJILSCBCP-OLZOCXBDSA-N 2 2 279.388 0.244 20 0 CCADLP Cc1ccn([C@H](C)CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])n1 ZINC000662430422 414717943 /nfs/dbraw/zinc/71/79/43/414717943.db2.gz WLQGTCJILSCBCP-OLZOCXBDSA-N 2 2 279.388 0.244 20 0 CCADLP C[NH2+][C@@H](C)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000662529658 414725811 /nfs/dbraw/zinc/72/58/11/414725811.db2.gz FOGGKXPPBMCESC-AVGNSLFASA-N 2 2 269.389 0.354 20 0 CCADLP CC(C)[NH2+]CC(=O)Nc1ccc(-c2n[nH]c(C[NH3+])n2)cc1 ZINC000662557719 414728232 /nfs/dbraw/zinc/72/82/32/414728232.db2.gz MFHYUNNHFHWYQL-UHFFFAOYSA-N 2 2 288.355 0.867 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)c2csc(C[NH3+])n2)[C@@H](C)CO1 ZINC000662629469 414734577 /nfs/dbraw/zinc/73/45/77/414734577.db2.gz GDKNGPFHTSHQPB-UWVGGRQHSA-N 2 2 298.412 0.441 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)c2csc(C[NH3+])n2)[C@@H](C)CO1 ZINC000662629469 414734578 /nfs/dbraw/zinc/73/45/78/414734578.db2.gz GDKNGPFHTSHQPB-UWVGGRQHSA-N 2 2 298.412 0.441 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000662632865 414735554 /nfs/dbraw/zinc/73/55/54/414735554.db2.gz VEQXMDRITJLMAV-GOEBONIOSA-N 3 2 298.475 0.894 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000662632865 414735555 /nfs/dbraw/zinc/73/55/55/414735555.db2.gz VEQXMDRITJLMAV-GOEBONIOSA-N 3 2 298.475 0.894 20 0 CCADLP [NH3+][C@H]1C[C@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000662659854 414738056 /nfs/dbraw/zinc/73/80/56/414738056.db2.gz VRPKGUBPJCMBRG-HAQNSBGRSA-N 2 2 260.341 0.468 20 0 CCADLP O=C(NCC[NH+]1CCOCC1)C1([NH2+]C2CC2)CCC1 ZINC000662658890 414738294 /nfs/dbraw/zinc/73/82/94/414738294.db2.gz LKVJKGRXNOXWRH-UHFFFAOYSA-N 2 2 267.373 0.110 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662685720 414741040 /nfs/dbraw/zinc/74/10/40/414741040.db2.gz GXUVHCHSICLTGK-MNOVXSKESA-N 2 2 250.346 0.776 20 0 CCADLP O=C(NCCNc1ccc2ccccc2[nH+]1)C1(O)C[NH2+]C1 ZINC000662695997 414742353 /nfs/dbraw/zinc/74/23/53/414742353.db2.gz SFYYFJCOWGAQPH-UHFFFAOYSA-N 2 2 286.335 0.097 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662702876 414743496 /nfs/dbraw/zinc/74/34/96/414743496.db2.gz CPGSQXQTHOBVOJ-AWEZNQCLSA-N 2 2 283.416 0.555 20 0 CCADLP Cc1cccn2cc(CNC(=O)[C@H]3CCO[C@@H]3C[NH3+])[nH+]c12 ZINC000662726938 414747130 /nfs/dbraw/zinc/74/71/30/414747130.db2.gz KKMSHNPQDBAMMA-QWHCGFSZSA-N 2 2 288.351 0.623 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3C[NH2+]CCCO3)ccn12 ZINC000662785589 414792775 /nfs/dbraw/zinc/79/27/75/414792775.db2.gz YNNMYRFPCGKUOV-CYBMUJFWSA-N 2 2 288.351 0.751 20 0 CCADLP [NH3+][C@H]1C[C@H](C(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000662784858 414792982 /nfs/dbraw/zinc/79/29/82/414792982.db2.gz DWFLZFAQADLHSK-HDJSIYSDSA-N 2 2 274.368 0.463 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662788020 414795134 /nfs/dbraw/zinc/79/51/34/414795134.db2.gz GBAWYFLOJSLFRJ-GFCCVEGCSA-N 2 2 269.389 0.165 20 0 CCADLP O=C(NCc1ccc[nH+]c1N1CCCC1)[C@H]1CSC[NH2+]1 ZINC000662850110 414840565 /nfs/dbraw/zinc/84/05/65/414840565.db2.gz NLGFOPJHRJVVHQ-GFCCVEGCSA-N 2 2 292.408 0.961 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)C1 ZINC000662859783 414853115 /nfs/dbraw/zinc/85/31/15/414853115.db2.gz ONYJLPCFYDDOMK-SYQHCUMBSA-N 2 2 283.416 0.600 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)C1 ZINC000662859783 414853121 /nfs/dbraw/zinc/85/31/21/414853121.db2.gz ONYJLPCFYDDOMK-SYQHCUMBSA-N 2 2 283.416 0.600 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000662871294 414856261 /nfs/dbraw/zinc/85/62/61/414856261.db2.gz WFUMUEPWTHJFKF-HZSPNIEDSA-N 2 2 281.400 0.308 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000662967337 414922781 /nfs/dbraw/zinc/92/27/81/414922781.db2.gz HPFZXCDVGPGYQY-YPMHNXCESA-N 2 2 269.389 0.354 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000662967337 414922787 /nfs/dbraw/zinc/92/27/87/414922787.db2.gz HPFZXCDVGPGYQY-YPMHNXCESA-N 2 2 269.389 0.354 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000662967336 414923107 /nfs/dbraw/zinc/92/31/07/414923107.db2.gz HPFZXCDVGPGYQY-WCQYABFASA-N 2 2 269.389 0.354 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000662967336 414923110 /nfs/dbraw/zinc/92/31/10/414923110.db2.gz HPFZXCDVGPGYQY-WCQYABFASA-N 2 2 269.389 0.354 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899088 414879907 /nfs/dbraw/zinc/87/99/07/414879907.db2.gz AWNWVLUEMDDXBE-CABCVRRESA-N 3 2 296.459 0.597 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899088 414879911 /nfs/dbraw/zinc/87/99/11/414879911.db2.gz AWNWVLUEMDDXBE-CABCVRRESA-N 3 2 296.459 0.597 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899089 414879978 /nfs/dbraw/zinc/87/99/78/414879978.db2.gz AWNWVLUEMDDXBE-GJZGRUSLSA-N 3 2 296.459 0.597 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899089 414879983 /nfs/dbraw/zinc/87/99/83/414879983.db2.gz AWNWVLUEMDDXBE-GJZGRUSLSA-N 3 2 296.459 0.597 20 0 CCADLP CN(C(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899146 414880675 /nfs/dbraw/zinc/88/06/75/414880675.db2.gz BYBGQHJXFCALCO-CABCVRRESA-N 3 2 294.443 0.365 20 0 CCADLP CN(C(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899146 414880680 /nfs/dbraw/zinc/88/06/80/414880680.db2.gz BYBGQHJXFCALCO-CABCVRRESA-N 3 2 294.443 0.365 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662909729 414884912 /nfs/dbraw/zinc/88/49/12/414884912.db2.gz HQFNQBMXNPOVHI-HIFRSBDPSA-N 2 2 297.443 0.931 20 0 CCADLP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662910511 414885860 /nfs/dbraw/zinc/88/58/60/414885860.db2.gz ORBRKSFIEPPAOS-FICVDOATSA-N 2 2 293.411 0.023 20 0 CCADLP O=C(Cc1cn2ccccc2[nH+]1)NCC12CC(C1)C[NH2+]2 ZINC000662922898 414894933 /nfs/dbraw/zinc/89/49/33/414894933.db2.gz NMKNNPAZBLOGGF-UHFFFAOYSA-N 2 2 270.336 0.745 20 0 CCADLP CC(C)[C@H]([NH3+])CCNC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000662927409 414898629 /nfs/dbraw/zinc/89/86/29/414898629.db2.gz YPSDVDJQUYULLH-QWHCGFSZSA-N 2 2 270.421 0.112 20 0 CCADLP C[C@H](NC(=O)[C@@H]1C[NH2+]CCC1(F)F)c1[nH+]ccn1C ZINC000662933170 414901580 /nfs/dbraw/zinc/90/15/80/414901580.db2.gz HXOXLOPKGIPCRQ-IUCAKERBSA-N 2 2 272.299 0.842 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663220904 415019919 /nfs/dbraw/zinc/01/99/19/415019919.db2.gz KPCBGIZUUSULTM-PWSUYJOCSA-N 2 2 251.334 0.323 20 0 CCADLP CCn1nccc1C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000663349329 415047900 /nfs/dbraw/zinc/04/79/00/415047900.db2.gz IXKXYTRRJBZTJF-UHFFFAOYSA-N 2 2 262.361 0.992 20 0 CCADLP c1cc(N2CCOCC2)nc(N[C@@H]2CC[N@@H+](C3CC3)C2)[nH+]1 ZINC000663428170 415062246 /nfs/dbraw/zinc/06/22/46/415062246.db2.gz DAIWLTUVZQDBRE-GFCCVEGCSA-N 2 2 289.383 0.962 20 0 CCADLP c1cc(N2CCOCC2)nc(N[C@@H]2CC[N@H+](C3CC3)C2)[nH+]1 ZINC000663428170 415062250 /nfs/dbraw/zinc/06/22/50/415062250.db2.gz DAIWLTUVZQDBRE-GFCCVEGCSA-N 2 2 289.383 0.962 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1nc2c(s1)C[NH2+]CC2 ZINC000663496492 415078101 /nfs/dbraw/zinc/07/81/01/415078101.db2.gz GWZPSBAHTRMGNV-ZJUUUORDSA-N 3 2 266.414 0.876 20 0 CCADLP C[NH+](C)CCNc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000663315309 415042373 /nfs/dbraw/zinc/04/23/73/415042373.db2.gz GJHWYTRLBJUJCD-UHFFFAOYSA-N 2 2 279.388 0.801 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)NCc2[nH+]ccn2C)[C@@H](C)CO1 ZINC000663973587 415188920 /nfs/dbraw/zinc/18/89/20/415188920.db2.gz BWEXOGMFRDHOLT-NWDGAFQWSA-N 2 2 295.387 0.329 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCc2[nH+]ccn2C)[C@@H](C)CO1 ZINC000663973587 415188931 /nfs/dbraw/zinc/18/89/31/415188931.db2.gz BWEXOGMFRDHOLT-NWDGAFQWSA-N 2 2 295.387 0.329 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000044529937 175193850 /nfs/dbraw/zinc/19/38/50/175193850.db2.gz BZEAGRQAASWIIR-JHJVBQTASA-N 2 2 269.389 0.293 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000044529937 175193851 /nfs/dbraw/zinc/19/38/51/175193851.db2.gz BZEAGRQAASWIIR-JHJVBQTASA-N 2 2 269.389 0.293 20 0 CCADLP CCN(C(=O)NCc1[nH+]ccn1C)[C@H]1CC[N@H+](C)C1 ZINC000663976497 415191021 /nfs/dbraw/zinc/19/10/21/415191021.db2.gz VKBZOBANJBHWKZ-NSHDSACASA-N 2 2 265.361 0.656 20 0 CCADLP CCN(C(=O)NCc1[nH+]ccn1C)[C@H]1CC[N@@H+](C)C1 ZINC000663976497 415191025 /nfs/dbraw/zinc/19/10/25/415191025.db2.gz VKBZOBANJBHWKZ-NSHDSACASA-N 2 2 265.361 0.656 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CCCOC1 ZINC000664017034 415208325 /nfs/dbraw/zinc/20/83/25/415208325.db2.gz UGQBZQLNBGXEGV-CYBMUJFWSA-N 2 2 286.420 0.348 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CCCOC1 ZINC000664017034 415208331 /nfs/dbraw/zinc/20/83/31/415208331.db2.gz UGQBZQLNBGXEGV-CYBMUJFWSA-N 2 2 286.420 0.348 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)c1ccc[nH]1 ZINC000664332453 415348748 /nfs/dbraw/zinc/34/87/48/415348748.db2.gz YTSIZAJWQNQMGL-UHFFFAOYSA-N 2 2 280.372 0.197 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)c1ccc[nH]1 ZINC000664332453 415348751 /nfs/dbraw/zinc/34/87/51/415348751.db2.gz YTSIZAJWQNQMGL-UHFFFAOYSA-N 2 2 280.372 0.197 20 0 CCADLP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000665275990 415586497 /nfs/dbraw/zinc/58/64/97/415586497.db2.gz WQCAJZFMFOUQDS-AEGPPILISA-N 3 2 267.417 0.957 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000665275854 415587113 /nfs/dbraw/zinc/58/71/13/415587113.db2.gz UHMHYOGYZCLTHT-BMFZPTHFSA-N 3 2 297.443 0.596 20 0 CCADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000665293686 415589083 /nfs/dbraw/zinc/58/90/83/415589083.db2.gz ASTVRYLYKJCRRC-FRRDWIJNSA-N 3 2 291.399 0.651 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC000071146279 176042331 /nfs/dbraw/zinc/04/23/31/176042331.db2.gz YNINQCKJXDSMIZ-LBPRGKRZSA-N 2 2 253.390 0.977 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC000071146279 176042332 /nfs/dbraw/zinc/04/23/32/176042332.db2.gz YNINQCKJXDSMIZ-LBPRGKRZSA-N 2 2 253.390 0.977 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NCc2cccs2)C1 ZINC000071147512 176043447 /nfs/dbraw/zinc/04/34/47/176043447.db2.gz LTJRCDAUMWNVIP-LLVKDONJSA-N 2 2 267.398 0.906 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NCc2cccs2)C1 ZINC000071147512 176043448 /nfs/dbraw/zinc/04/34/48/176043448.db2.gz LTJRCDAUMWNVIP-LLVKDONJSA-N 2 2 267.398 0.906 20 0 CCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccncc1 ZINC000035125191 544419195 /nfs/dbraw/zinc/41/91/95/544419195.db2.gz AZXDNIIFECLUIJ-LBPRGKRZSA-N 2 2 262.357 0.506 20 0 CCADLP C[N@H+](CCOc1ccccc1)C[C@@H]1C[NH2+]CCO1 ZINC000131059082 544617133 /nfs/dbraw/zinc/61/71/33/544617133.db2.gz PLJJHVIAEUOPDU-AWEZNQCLSA-N 2 2 250.342 0.986 20 0 CCADLP C[N@@H+](CCOc1ccccc1)C[C@@H]1C[NH2+]CCO1 ZINC000131059082 544617137 /nfs/dbraw/zinc/61/71/37/544617137.db2.gz PLJJHVIAEUOPDU-AWEZNQCLSA-N 2 2 250.342 0.986 20 0 CCADLP C[C@@H](NC(=O)N1CC[NH+](C2CC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000152542908 544660385 /nfs/dbraw/zinc/66/03/85/544660385.db2.gz BELTZCWIMDABST-TZMCWYRMSA-N 2 2 296.415 0.195 20 0 CCADLP C[C@@H](NC(=O)N1CC[NH+](C2CC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000152542908 544660386 /nfs/dbraw/zinc/66/03/86/544660386.db2.gz BELTZCWIMDABST-TZMCWYRMSA-N 2 2 296.415 0.195 20 0 CCADLP O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3c[nH+]c4ccccn34)C2)N1 ZINC000192634131 544803043 /nfs/dbraw/zinc/80/30/43/544803043.db2.gz JCKPQBWXGYLTNE-OAHLLOKOSA-N 2 2 299.334 0.508 20 0 CCADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000226544323 544831422 /nfs/dbraw/zinc/83/14/22/544831422.db2.gz SCIFVDWSCVUVFL-MGPQQGTHSA-N 2 2 255.406 0.779 20 0 CCADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000226544323 544831429 /nfs/dbraw/zinc/83/14/29/544831429.db2.gz SCIFVDWSCVUVFL-MGPQQGTHSA-N 2 2 255.406 0.779 20 0 CCADLP C[C@@H](CNC(=O)NC[C@@]1(C)CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000333939458 545044718 /nfs/dbraw/zinc/04/47/18/545044718.db2.gz NGGOMVOTCHNBHI-ZFWWWQNUSA-N 2 2 298.431 0.396 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC2(CNC(=O)C2)CC1)C1CC1 ZINC000328670668 545018269 /nfs/dbraw/zinc/01/82/69/545018269.db2.gz MTPJTSVEILKHOL-ZDUSSCGKSA-N 2 2 281.400 0.884 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC2(CNC(=O)C2)CC1)C1CC1 ZINC000328670668 545018271 /nfs/dbraw/zinc/01/82/71/545018271.db2.gz MTPJTSVEILKHOL-ZDUSSCGKSA-N 2 2 281.400 0.884 20 0 CCADLP [NH3+][C@H]1CCC[C@H](NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000333624724 545041137 /nfs/dbraw/zinc/04/11/37/545041137.db2.gz FRRCKIHVBFGUBO-XDQVBPFNSA-N 2 2 296.415 0.419 20 0 CCADLP [NH3+][C@H]1CCC[C@H](NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000333624724 545041139 /nfs/dbraw/zinc/04/11/39/545041139.db2.gz FRRCKIHVBFGUBO-XDQVBPFNSA-N 2 2 296.415 0.419 20 0 CCADLP CC(C)[C@@H](CCO)[NH2+]C[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000355056324 545074354 /nfs/dbraw/zinc/07/43/54/545074354.db2.gz MXXHJSZRRUPPMH-KBUPBQIOSA-N 2 2 288.432 0.453 20 0 CCADLP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)Cn1cc[nH+]c1 ZINC000356148756 545076477 /nfs/dbraw/zinc/07/64/77/545076477.db2.gz SGQOUSUVWZAZQK-NSHDSACASA-N 2 2 261.329 0.991 20 0 CCADLP [NH3+][C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C1CC1 ZINC000521412106 262315412 /nfs/dbraw/zinc/31/54/12/262315412.db2.gz ADBFOSMDXALICK-KGLIPLIRSA-N 2 2 296.415 0.230 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000519178617 265354786 /nfs/dbraw/zinc/35/47/86/265354786.db2.gz MFSDTESLSAXWRC-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000519178617 265354787 /nfs/dbraw/zinc/35/47/87/265354787.db2.gz MFSDTESLSAXWRC-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000519178617 265354788 /nfs/dbraw/zinc/35/47/88/265354788.db2.gz MFSDTESLSAXWRC-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000519178617 265354790 /nfs/dbraw/zinc/35/47/90/265354790.db2.gz MFSDTESLSAXWRC-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP COCC1(O)CC[NH+](Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000425336509 274017947 /nfs/dbraw/zinc/01/79/47/274017947.db2.gz LKQDKHNEGAUATF-UHFFFAOYSA-N 2 2 282.388 0.459 20 0 CCADLP Cn1cc(N2CC[C@H]([NH2+][C@@H]3CCCC[C@H]3[NH3+])C2=O)cn1 ZINC000424299950 274893170 /nfs/dbraw/zinc/89/31/70/274893170.db2.gz WGQWBORFFGQVCI-UPJWGTAASA-N 2 2 277.372 0.385 20 0 CCADLP CC(C)[C@H](C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)[NH+](C)C ZINC000106918167 276013160 /nfs/dbraw/zinc/01/31/60/276013160.db2.gz OXVZJDYHYOPKIA-BFHYXJOUSA-N 2 2 285.432 0.798 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000423860775 276018166 /nfs/dbraw/zinc/01/81/66/276018166.db2.gz AYRRBYLUDMQBBI-HIFRSBDPSA-N 2 2 297.443 0.944 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000423860775 276018167 /nfs/dbraw/zinc/01/81/67/276018167.db2.gz AYRRBYLUDMQBBI-HIFRSBDPSA-N 2 2 297.443 0.944 20 0 CCADLP CC[N@H+](C)CCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000429768668 276069547 /nfs/dbraw/zinc/06/95/47/276069547.db2.gz UGXSRCUXDBIWNX-LLVKDONJSA-N 2 2 265.361 0.449 20 0 CCADLP CC[N@@H+](C)CCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000429768668 276069548 /nfs/dbraw/zinc/06/95/48/276069548.db2.gz UGXSRCUXDBIWNX-LLVKDONJSA-N 2 2 265.361 0.449 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000342161205 276190042 /nfs/dbraw/zinc/19/00/42/276190042.db2.gz VEZZLPMIGNUNAR-MCIONIFRSA-N 2 2 281.400 0.402 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000342161205 276190043 /nfs/dbraw/zinc/19/00/43/276190043.db2.gz VEZZLPMIGNUNAR-MCIONIFRSA-N 2 2 281.400 0.402 20 0 CCADLP CC[N@@H+]1CC[C@H]2OCCN(C(=O)C=Cc3c[nH]c[nH+]3)[C@H]2C1 ZINC000493633252 276234372 /nfs/dbraw/zinc/23/43/72/276234372.db2.gz WZQGGCYNHUFOBK-KBIGUFJUSA-N 2 2 290.367 0.745 20 0 CCADLP CC[N@H+]1CC[C@H]2OCCN(C(=O)C=Cc3c[nH]c[nH+]3)[C@H]2C1 ZINC000493633252 276234373 /nfs/dbraw/zinc/23/43/73/276234373.db2.gz WZQGGCYNHUFOBK-KBIGUFJUSA-N 2 2 290.367 0.745 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424369339 276289607 /nfs/dbraw/zinc/28/96/07/276289607.db2.gz BLCRXPORSLNVRC-WISYIIOYSA-N 2 2 255.362 0.140 20 0 CCADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424369339 276289608 /nfs/dbraw/zinc/28/96/08/276289608.db2.gz BLCRXPORSLNVRC-WISYIIOYSA-N 2 2 255.362 0.140 20 0 CCADLP C[NH2+]CC(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000193132018 277020875 /nfs/dbraw/zinc/02/08/75/277020875.db2.gz VGJNFXYOCLYGAJ-GFCCVEGCSA-N 2 2 297.424 0.765 20 0 CCADLP C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000363724056 277095406 /nfs/dbraw/zinc/09/54/06/277095406.db2.gz MLGOIVIRCYQRJY-CQSZACIVSA-N 2 2 281.400 0.404 20 0 CCADLP C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000363724056 277095408 /nfs/dbraw/zinc/09/54/08/277095408.db2.gz MLGOIVIRCYQRJY-CQSZACIVSA-N 2 2 281.400 0.404 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C/C=C\c1ccncc1 ZINC000487304657 277102044 /nfs/dbraw/zinc/10/20/44/277102044.db2.gz DMZHDUVFTIVJCY-JZIMQPMSSA-N 2 2 260.385 0.930 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C/C=C\c1ccncc1 ZINC000487304657 277102045 /nfs/dbraw/zinc/10/20/45/277102045.db2.gz DMZHDUVFTIVJCY-JZIMQPMSSA-N 2 2 260.385 0.930 20 0 CCADLP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2C[NH2+]CCO2)CC1 ZINC000415097897 277151936 /nfs/dbraw/zinc/15/19/36/277151936.db2.gz UITFBEMMZIOFQN-CYBMUJFWSA-N 3 2 255.406 0.827 20 0 CCADLP COCC[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CC[C@H](C)C1 ZINC000362169915 277214548 /nfs/dbraw/zinc/21/45/48/277214548.db2.gz LXZIJEGKSUSKTC-GJZGRUSLSA-N 2 2 297.443 0.897 20 0 CCADLP COCC[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CC[C@H](C)C1 ZINC000362169915 277214550 /nfs/dbraw/zinc/21/45/50/277214550.db2.gz LXZIJEGKSUSKTC-GJZGRUSLSA-N 2 2 297.443 0.897 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000353455505 277278794 /nfs/dbraw/zinc/27/87/94/277278794.db2.gz XSRXNMDUCRQHTH-MNOVXSKESA-N 2 2 294.399 0.585 20 0 CCADLP CO[C@H]1C[C@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C12CCC2 ZINC000451839286 277350169 /nfs/dbraw/zinc/35/01/69/277350169.db2.gz RJJADMZYRMCVES-KBPBESRZSA-N 2 2 295.427 0.650 20 0 CCADLP CO[C@H]1C[C@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C12CCC2 ZINC000451839286 277350170 /nfs/dbraw/zinc/35/01/70/277350170.db2.gz RJJADMZYRMCVES-KBPBESRZSA-N 2 2 295.427 0.650 20 0 CCADLP COC(=O)[C@H]1CCC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425331044 277389177 /nfs/dbraw/zinc/38/91/77/277389177.db2.gz WPJUIHHMEUCFFI-NSHDSACASA-N 2 2 280.372 0.871 20 0 CCADLP COC(=O)[C@H]1CCC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425331044 277389178 /nfs/dbraw/zinc/38/91/78/277389178.db2.gz WPJUIHHMEUCFFI-NSHDSACASA-N 2 2 280.372 0.871 20 0 CCADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000429602164 277750486 /nfs/dbraw/zinc/75/04/86/277750486.db2.gz OEXDBAWMWQIFMW-STQMWFEESA-N 2 2 271.405 0.539 20 0 CCADLP C[C@@H](CC(=O)N(C)C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427861692 278220564 /nfs/dbraw/zinc/22/05/64/278220564.db2.gz UALZNLFSBYUYOV-WDEREUQCSA-N 2 2 250.346 0.654 20 0 CCADLP CC(=O)[C@@](C)(O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000451073405 278233579 /nfs/dbraw/zinc/23/35/79/278233579.db2.gz ZVZXYEUCGUXDLG-KBPBESRZSA-N 2 2 254.374 0.744 20 0 CCADLP CC(=O)[C@@](C)(O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000451073405 278233580 /nfs/dbraw/zinc/23/35/80/278233580.db2.gz ZVZXYEUCGUXDLG-KBPBESRZSA-N 2 2 254.374 0.744 20 0 CCADLP CC(=O)[C@@](C)(O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000451073405 278233582 /nfs/dbraw/zinc/23/35/82/278233582.db2.gz ZVZXYEUCGUXDLG-KBPBESRZSA-N 2 2 254.374 0.744 20 0 CCADLP CC(=O)[C@@](C)(O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000451073405 278233583 /nfs/dbraw/zinc/23/35/83/278233583.db2.gz ZVZXYEUCGUXDLG-KBPBESRZSA-N 2 2 254.374 0.744 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCn2c[nH+]cc2C1 ZINC000291010219 278262146 /nfs/dbraw/zinc/26/21/46/278262146.db2.gz CKFIDWUMIKZDOJ-LBPRGKRZSA-N 2 2 278.356 0.194 20 0 CCADLP C[C@H]([NH2+][C@@H]1C[C@H]2CCCCN2C1=O)[C@H]1CCC[NH2+]1 ZINC000423159178 278278388 /nfs/dbraw/zinc/27/83/88/278278388.db2.gz FLQPEUBDYKLUHJ-UMSGYPCISA-N 2 2 251.374 0.870 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367435633 278292876 /nfs/dbraw/zinc/29/28/76/278292876.db2.gz CKHNCPIYXYAKII-JTQLQIEISA-N 2 2 271.386 0.742 20 0 CCADLP C[C@@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CCC[NH2+]1 ZINC000423147054 278347432 /nfs/dbraw/zinc/34/74/32/278347432.db2.gz BXRJUVMXXLMYAR-MQYQWHSLSA-N 2 2 253.390 0.580 20 0 CCADLP C[C@@H](NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CCC[NH2+]1 ZINC000423147054 278347433 /nfs/dbraw/zinc/34/74/33/278347433.db2.gz BXRJUVMXXLMYAR-MQYQWHSLSA-N 2 2 253.390 0.580 20 0 CCADLP C[C@@H](NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CCC[NH2+]1 ZINC000423147054 278347435 /nfs/dbraw/zinc/34/74/35/278347435.db2.gz BXRJUVMXXLMYAR-MQYQWHSLSA-N 2 2 253.390 0.580 20 0 CCADLP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000517145800 278369752 /nfs/dbraw/zinc/36/97/52/278369752.db2.gz RNHIEXXOOZFRCO-CYBMUJFWSA-N 3 2 254.422 0.354 20 0 CCADLP CC(C)(C)[NH2+]CC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000517145800 278369754 /nfs/dbraw/zinc/36/97/54/278369754.db2.gz RNHIEXXOOZFRCO-CYBMUJFWSA-N 3 2 254.422 0.354 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCC(=O)N1CCCCC1 ZINC000422697537 278373072 /nfs/dbraw/zinc/37/30/72/278373072.db2.gz UYFNEVCEMZYCJS-STQMWFEESA-N 2 2 253.390 0.977 20 0 CCADLP C[C@H]1CSC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000334942467 278470188 /nfs/dbraw/zinc/47/01/88/278470188.db2.gz CRZSHQHRNCNSHT-WDEREUQCSA-N 2 2 257.403 0.102 20 0 CCADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+][C@H](C)C[NH3+] ZINC000423324300 278664625 /nfs/dbraw/zinc/66/46/25/278664625.db2.gz KMFMEEJQJAJVFI-GHMZBOCLSA-N 2 2 285.413 0.949 20 0 CCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC000355817961 288069537 /nfs/dbraw/zinc/06/95/37/288069537.db2.gz YYFWLUZRMOKBPQ-UKRRQHHQSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC000355817961 288069539 /nfs/dbraw/zinc/06/95/39/288069539.db2.gz YYFWLUZRMOKBPQ-UKRRQHHQSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000355817961 288069540 /nfs/dbraw/zinc/06/95/40/288069540.db2.gz YYFWLUZRMOKBPQ-UKRRQHHQSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000355817961 288069542 /nfs/dbraw/zinc/06/95/42/288069542.db2.gz YYFWLUZRMOKBPQ-UKRRQHHQSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000356847988 279082016 /nfs/dbraw/zinc/08/20/16/279082016.db2.gz KFKRXWSLIFDTDR-UPJWGTAASA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000356847988 279082019 /nfs/dbraw/zinc/08/20/19/279082019.db2.gz KFKRXWSLIFDTDR-UPJWGTAASA-N 2 2 276.384 0.997 20 0 CCADLP CC[NH+](CC)CCC[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000338287674 279095992 /nfs/dbraw/zinc/09/59/92/279095992.db2.gz PMPFSKHOMZBQFG-NSHDSACASA-N 2 2 263.407 0.081 20 0 CCADLP CC[NH+](CC)CCC[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000338287674 279095993 /nfs/dbraw/zinc/09/59/93/279095993.db2.gz PMPFSKHOMZBQFG-NSHDSACASA-N 2 2 263.407 0.081 20 0 CCADLP CC(C)C[C@H](CNC(=O)[C@@H]1CCCC[NH2+]1)[NH+]1CCOCC1 ZINC000040824549 279159001 /nfs/dbraw/zinc/15/90/01/279159001.db2.gz WDRXGMULEUXRLO-CABCVRRESA-N 2 2 297.443 0.992 20 0 CCADLP C[C@@]1(C[NH+]2CCN(c3cnccn3)CC2)CC[NH2+]C1 ZINC000261731453 279159365 /nfs/dbraw/zinc/15/93/65/279159365.db2.gz HHTJEZFFUVJEIB-CQSZACIVSA-N 2 2 261.373 0.598 20 0 CCADLP CCN1CC[NH+](CCCC[NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422861493 279357022 /nfs/dbraw/zinc/35/70/22/279357022.db2.gz MTRIJHIKCNHHFE-CVEARBPZSA-N 3 2 282.476 0.992 20 0 CCADLP CC[NH+]1CCN(CCCC[NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422861493 279357024 /nfs/dbraw/zinc/35/70/24/279357024.db2.gz MTRIJHIKCNHHFE-CVEARBPZSA-N 3 2 282.476 0.992 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccno3)C2)CC1 ZINC000365768526 279369227 /nfs/dbraw/zinc/36/92/27/279369227.db2.gz HGCBJQIUENRGFB-CYBMUJFWSA-N 2 2 264.373 0.886 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccno3)C2)CC1 ZINC000365768526 279369229 /nfs/dbraw/zinc/36/92/29/279369229.db2.gz HGCBJQIUENRGFB-CYBMUJFWSA-N 2 2 264.373 0.886 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000356479454 279392001 /nfs/dbraw/zinc/39/20/01/279392001.db2.gz YZTQNXNFQGVQLJ-NEPJUHHUSA-N 2 2 278.356 0.035 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000356479454 279392003 /nfs/dbraw/zinc/39/20/03/279392003.db2.gz YZTQNXNFQGVQLJ-NEPJUHHUSA-N 2 2 278.356 0.035 20 0 CCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000349131651 280011767 /nfs/dbraw/zinc/01/17/67/280011767.db2.gz QSKBARIMTNDDEJ-GJZGRUSLSA-N 2 2 296.459 0.421 20 0 CCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000349131651 280011770 /nfs/dbraw/zinc/01/17/70/280011770.db2.gz QSKBARIMTNDDEJ-GJZGRUSLSA-N 2 2 296.459 0.421 20 0 CCADLP CC[C@@H](C(N)=O)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109752633 280090399 /nfs/dbraw/zinc/09/03/99/280090399.db2.gz DWYZTMOMVUFECT-KBPBESRZSA-N 2 2 282.432 0.352 20 0 CCADLP CC[C@@H](C(N)=O)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000109752633 280090400 /nfs/dbraw/zinc/09/04/00/280090400.db2.gz DWYZTMOMVUFECT-KBPBESRZSA-N 2 2 282.432 0.352 20 0 CCADLP CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423159740 280145600 /nfs/dbraw/zinc/14/56/00/280145600.db2.gz PZGMBOUNTNETRJ-VWYCJHECSA-N 2 2 263.407 0.044 20 0 CCADLP CC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422715837 280185997 /nfs/dbraw/zinc/18/59/97/280185997.db2.gz MUASXQNHAGULTN-KGLIPLIRSA-N 3 2 282.432 0.271 20 0 CCADLP CCOC1CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)CC1 ZINC000382283584 545084883 /nfs/dbraw/zinc/08/48/83/545084883.db2.gz DTYGBNLHSWYLHN-ZDUSSCGKSA-N 2 2 274.405 0.426 20 0 CCADLP CCOC1CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)CC1 ZINC000382283584 545084884 /nfs/dbraw/zinc/08/48/84/545084884.db2.gz DTYGBNLHSWYLHN-ZDUSSCGKSA-N 2 2 274.405 0.426 20 0 CCADLP CC[C@H](C)[C@H](O)C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422712434 280797047 /nfs/dbraw/zinc/79/70/47/280797047.db2.gz OCRPYOUDPYMLNS-ASEORRQLSA-N 2 2 256.390 0.750 20 0 CCADLP CC[C@]1(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CCC[NH2+]1 ZINC000134595763 281304047 /nfs/dbraw/zinc/30/40/47/281304047.db2.gz VQECUENQLVEYEU-UMVBOHGHSA-N 2 2 283.416 0.744 20 0 CCADLP C[C@@H]1COCC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000354332664 288361643 /nfs/dbraw/zinc/36/16/43/288361643.db2.gz IWIGLZKQRJPDOE-FRRDWIJNSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]1COCC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000354332664 288361645 /nfs/dbraw/zinc/36/16/45/288361645.db2.gz IWIGLZKQRJPDOE-FRRDWIJNSA-N 2 2 269.389 0.341 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000237083216 289068545 /nfs/dbraw/zinc/06/85/45/289068545.db2.gz CSDRORGGUPXSMJ-ZIAGYGMSSA-N 3 2 296.459 0.646 20 0 CCADLP C[C@H](C(=O)N(C)c1ccccc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420351062 289256653 /nfs/dbraw/zinc/25/66/53/289256653.db2.gz IXHUBDICQLJKIK-YPMHNXCESA-N 2 2 265.357 0.289 20 0 CCADLP C[C@H](C(=O)N(C)c1ccccc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420351062 289256654 /nfs/dbraw/zinc/25/66/54/289256654.db2.gz IXHUBDICQLJKIK-YPMHNXCESA-N 2 2 265.357 0.289 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246903918 289340860 /nfs/dbraw/zinc/34/08/60/289340860.db2.gz RPGBNZVDESPIGN-MDZLAQPJSA-N 2 2 294.399 0.519 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246903918 289340863 /nfs/dbraw/zinc/34/08/63/289340863.db2.gz RPGBNZVDESPIGN-MDZLAQPJSA-N 2 2 294.399 0.519 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246903918 289340866 /nfs/dbraw/zinc/34/08/66/289340866.db2.gz RPGBNZVDESPIGN-MDZLAQPJSA-N 2 2 294.399 0.519 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246903918 289340868 /nfs/dbraw/zinc/34/08/68/289340868.db2.gz RPGBNZVDESPIGN-MDZLAQPJSA-N 2 2 294.399 0.519 20 0 CCADLP C[NH+]1CCC(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000346827888 289876111 /nfs/dbraw/zinc/87/61/11/289876111.db2.gz YCNVCNZFYUVPHN-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP C[N@@H+]1CCN(C(=O)/C=C\c2cccnc2)[C@H](C[NH3+])C1 ZINC000493554811 290006386 /nfs/dbraw/zinc/00/63/86/290006386.db2.gz QYFNYNQGHITRRY-DSYXLKISSA-N 2 2 260.341 0.196 20 0 CCADLP C[N@H+]1CCN(C(=O)/C=C\c2cccnc2)[C@H](C[NH3+])C1 ZINC000493554811 290006388 /nfs/dbraw/zinc/00/63/88/290006388.db2.gz QYFNYNQGHITRRY-DSYXLKISSA-N 2 2 260.341 0.196 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)[C@H](c2ccccc2)C1 ZINC000250398827 290027237 /nfs/dbraw/zinc/02/72/37/290027237.db2.gz RXKYVWVOBOWIHQ-LSDHHAIUSA-N 2 2 289.379 0.490 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)[C@H](c2ccccc2)C1 ZINC000250398827 290027240 /nfs/dbraw/zinc/02/72/40/290027240.db2.gz RXKYVWVOBOWIHQ-LSDHHAIUSA-N 2 2 289.379 0.490 20 0 CCADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(=O)[nH]n1 ZINC000286183783 290059193 /nfs/dbraw/zinc/05/91/93/290059193.db2.gz QYEDOLBEJRDOHD-KWBADKCTSA-N 2 2 262.357 0.903 20 0 CCADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(=O)[nH]n1 ZINC000286183783 290059194 /nfs/dbraw/zinc/05/91/94/290059194.db2.gz QYEDOLBEJRDOHD-KWBADKCTSA-N 2 2 262.357 0.903 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423484623 290061733 /nfs/dbraw/zinc/06/17/33/290061733.db2.gz ABVLDQLLWYTKRV-LVQVYYBASA-N 3 2 280.460 0.790 20 0 CCADLP Cc1cnn(CC[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)c1 ZINC000235129614 293002440 /nfs/dbraw/zinc/00/24/40/293002440.db2.gz JTFVRPPDQHHCBS-QWHCGFSZSA-N 2 2 252.362 0.548 20 0 CCADLP COC[C@]1(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)CCC[NH2+]1 ZINC000423420386 293295874 /nfs/dbraw/zinc/29/58/74/293295874.db2.gz WUUHFGMVJOBTPW-HZSPNIEDSA-N 3 2 255.406 0.733 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@](C)(C(N)=O)C(C)C ZINC000394048411 545087736 /nfs/dbraw/zinc/08/77/36/545087736.db2.gz KSXHWVNHRHNSGF-AAEUAGOBSA-N 2 2 259.394 0.177 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@](C)(C(N)=O)C(C)C ZINC000394048411 545087737 /nfs/dbraw/zinc/08/77/37/545087737.db2.gz KSXHWVNHRHNSGF-AAEUAGOBSA-N 2 2 259.394 0.177 20 0 CCADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247056540 298243326 /nfs/dbraw/zinc/24/33/26/298243326.db2.gz ZMTCGGKBAJBDGC-NTZNESFSSA-N 2 2 251.374 0.809 20 0 CCADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247056540 298243329 /nfs/dbraw/zinc/24/33/29/298243329.db2.gz ZMTCGGKBAJBDGC-NTZNESFSSA-N 2 2 251.374 0.809 20 0 CCADLP C[C@H](C(N)=O)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247056540 298243331 /nfs/dbraw/zinc/24/33/31/298243331.db2.gz ZMTCGGKBAJBDGC-NTZNESFSSA-N 2 2 251.374 0.809 20 0 CCADLP C[C@H](C(N)=O)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247056540 298243334 /nfs/dbraw/zinc/24/33/34/298243334.db2.gz ZMTCGGKBAJBDGC-NTZNESFSSA-N 2 2 251.374 0.809 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCN1CCOCC1(C)C ZINC000422715644 300000855 /nfs/dbraw/zinc/00/08/55/300000855.db2.gz SLVKOQCWDFUHTG-STQMWFEESA-N 2 2 255.406 0.685 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1NCC[N@@H+]1CCOCC1(C)C ZINC000422715644 300000858 /nfs/dbraw/zinc/00/08/58/300000858.db2.gz SLVKOQCWDFUHTG-STQMWFEESA-N 2 2 255.406 0.685 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1NCC[N@H+]1CCOCC1(C)C ZINC000422715644 300000861 /nfs/dbraw/zinc/00/08/61/300000861.db2.gz SLVKOQCWDFUHTG-STQMWFEESA-N 2 2 255.406 0.685 20 0 CCADLP C[C@H]1CN(C(=O)[C@]2(C)CCCC[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000181012966 300180676 /nfs/dbraw/zinc/18/06/76/300180676.db2.gz LCWLAKVHYABLRV-LZWOXQAQSA-N 2 2 295.427 0.698 20 0 CCADLP Cc1cccc([C@H](CNC(=O)[C@H](C)[NH3+])[NH+]2CCOCC2)c1 ZINC000195155937 302031657 /nfs/dbraw/zinc/03/16/57/302031657.db2.gz CYDVNBQTLPDOLC-ZFWWWQNUSA-N 2 2 291.395 0.832 20 0 CCADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC000352520299 303385859 /nfs/dbraw/zinc/38/58/59/303385859.db2.gz XCDPGZOALUVBNP-LBPRGKRZSA-N 2 2 275.356 0.726 20 0 CCADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC000352520299 303385860 /nfs/dbraw/zinc/38/58/60/303385860.db2.gz XCDPGZOALUVBNP-LBPRGKRZSA-N 2 2 275.356 0.726 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(F)(F)[C@H](CO)C1 ZINC000404074699 545091122 /nfs/dbraw/zinc/09/11/22/545091122.db2.gz XOYADBUBDJEKIL-RYUDHWBXSA-N 2 2 280.359 0.637 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(F)(F)[C@H](CO)C1 ZINC000404074699 545091123 /nfs/dbraw/zinc/09/11/23/545091123.db2.gz XOYADBUBDJEKIL-RYUDHWBXSA-N 2 2 280.359 0.637 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000404074699 545091124 /nfs/dbraw/zinc/09/11/24/545091124.db2.gz XOYADBUBDJEKIL-RYUDHWBXSA-N 2 2 280.359 0.637 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000404074699 545091125 /nfs/dbraw/zinc/09/11/25/545091125.db2.gz XOYADBUBDJEKIL-RYUDHWBXSA-N 2 2 280.359 0.637 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3ccccc3F)CCN2C1=O ZINC000580903379 328064693 /nfs/dbraw/zinc/06/46/93/328064693.db2.gz SIDKETHMKWHCOJ-WCQYABFASA-N 2 2 263.316 0.570 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCc2cc(F)ccc2F)[C@@H](C[NH3+])C1 ZINC000584161883 327053395 /nfs/dbraw/zinc/05/33/95/327053395.db2.gz GJCPCMBGKHFBDA-LBPRGKRZSA-N 2 2 298.337 0.749 20 0 CCADLP Cn1c[nH+]cc1C[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC000584166996 327054763 /nfs/dbraw/zinc/05/47/63/327054763.db2.gz APTMCJXWJJYEAQ-LLVKDONJSA-N 2 2 250.346 0.909 20 0 CCADLP CS[C@@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)C[C@@H]1[NH+](C)C ZINC000584182117 327061424 /nfs/dbraw/zinc/06/14/24/327061424.db2.gz RPMZUIMXEIIHFZ-NWDGAFQWSA-N 2 2 285.457 0.832 20 0 CCADLP Cc1nc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)no1 ZINC000584291667 327223490 /nfs/dbraw/zinc/22/34/90/327223490.db2.gz BEXQYDMZHRGPFL-GFCCVEGCSA-N 2 2 293.371 0.022 20 0 CCADLP Cc1nc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)no1 ZINC000584291667 327223492 /nfs/dbraw/zinc/22/34/92/327223492.db2.gz BEXQYDMZHRGPFL-GFCCVEGCSA-N 2 2 293.371 0.022 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582122977 327227518 /nfs/dbraw/zinc/22/75/18/327227518.db2.gz YQRCSPWXYBREKE-OAHLLOKOSA-N 2 2 296.415 0.688 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582122977 327227520 /nfs/dbraw/zinc/22/75/20/327227520.db2.gz YQRCSPWXYBREKE-OAHLLOKOSA-N 2 2 296.415 0.688 20 0 CCADLP CC(C)[C@H](O)C[NH2+]C[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000578237180 327312289 /nfs/dbraw/zinc/31/22/89/327312289.db2.gz CGLIWNRAUKMJNK-AAVRWANBSA-N 2 2 274.405 0.063 20 0 CCADLP CC(C)(CNC[C@@H](O)C[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000583376330 327333423 /nfs/dbraw/zinc/33/34/23/327333423.db2.gz IVZPKVIKIOXHNQ-OAHLLOKOSA-N 2 2 299.459 0.534 20 0 CCADLP [NH3+]C[C@@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000583692437 329002778 /nfs/dbraw/zinc/00/27/78/329002778.db2.gz BSPZDAVSSNGHHC-ZFWWWQNUSA-N 2 2 295.427 0.827 20 0 CCADLP [NH3+]C[C@@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000583692437 329002780 /nfs/dbraw/zinc/00/27/80/329002780.db2.gz BSPZDAVSSNGHHC-ZFWWWQNUSA-N 2 2 295.427 0.827 20 0 CCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NCCc1[nH]cc[nH+]1)CC2 ZINC000582669456 329122360 /nfs/dbraw/zinc/12/23/60/329122360.db2.gz PHPDTIPIPDUIHB-NSHDSACASA-N 2 2 273.340 0.836 20 0 CCADLP Cn1c(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)nnc1C1CC1 ZINC000582908273 329286778 /nfs/dbraw/zinc/28/67/78/329286778.db2.gz VRINQJABBHXEEW-ZDUSSCGKSA-N 2 2 290.415 0.172 20 0 CCADLP Cn1c(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)nnc1C1CC1 ZINC000582908273 329286779 /nfs/dbraw/zinc/28/67/79/329286779.db2.gz VRINQJABBHXEEW-ZDUSSCGKSA-N 2 2 290.415 0.172 20 0 CCADLP COc1ccnc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000582959336 329289723 /nfs/dbraw/zinc/28/97/23/329289723.db2.gz QWZQCDMOSBJNOQ-FRRDWIJNSA-N 2 2 292.383 0.732 20 0 CCADLP CC[N@@H+](Cc1cnn(C)c1)C[C@H](O)C[NH+](C)CCOC ZINC000583063033 329309446 /nfs/dbraw/zinc/30/94/46/329309446.db2.gz MMQNZUXJSIEYCS-CQSZACIVSA-N 2 2 284.404 0.181 20 0 CCADLP CC[N@H+](Cc1cnn(C)c1)C[C@H](O)C[NH+](C)CCOC ZINC000583063033 329309447 /nfs/dbraw/zinc/30/94/47/329309447.db2.gz MMQNZUXJSIEYCS-CQSZACIVSA-N 2 2 284.404 0.181 20 0 CCADLP CC[NH+](Cc1cnn(C)c1)C[C@H](O)C[N@H+](C)CCOC ZINC000583063033 329309449 /nfs/dbraw/zinc/30/94/49/329309449.db2.gz MMQNZUXJSIEYCS-CQSZACIVSA-N 2 2 284.404 0.181 20 0 CCADLP CC[NH+](Cc1cnn(C)c1)C[C@H](O)C[N@@H+](C)CCOC ZINC000583063033 329309450 /nfs/dbraw/zinc/30/94/50/329309450.db2.gz MMQNZUXJSIEYCS-CQSZACIVSA-N 2 2 284.404 0.181 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCc2cc[nH]c(=O)c2C1 ZINC000583092767 329314854 /nfs/dbraw/zinc/31/48/54/329314854.db2.gz ZCANYWYLHRZODL-ZDUSSCGKSA-N 2 2 295.383 0.084 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCc2cc[nH]c(=O)c2C1 ZINC000583092767 329314855 /nfs/dbraw/zinc/31/48/55/329314855.db2.gz ZCANYWYLHRZODL-ZDUSSCGKSA-N 2 2 295.383 0.084 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000583092767 329314857 /nfs/dbraw/zinc/31/48/57/329314857.db2.gz ZCANYWYLHRZODL-ZDUSSCGKSA-N 2 2 295.383 0.084 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000583092767 329314858 /nfs/dbraw/zinc/31/48/58/329314858.db2.gz ZCANYWYLHRZODL-ZDUSSCGKSA-N 2 2 295.383 0.084 20 0 CCADLP O=C(CC[NH2+]CCn1cc[nH+]c1)Nc1cccnc1 ZINC000583258255 329404269 /nfs/dbraw/zinc/40/42/69/329404269.db2.gz PJHHNHSPUHXRMB-UHFFFAOYSA-N 2 2 259.313 0.897 20 0 CCADLP [NH3+][C@H]1CCc2ncc(NC(=O)[C@@H]3CSC[NH2+]3)cc2C1 ZINC000584410674 329460259 /nfs/dbraw/zinc/46/02/59/329460259.db2.gz OCWYEVHEGCTXNY-CABZTGNLSA-N 2 2 278.381 0.499 20 0 CCADLP COC[C@H]([NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000543455102 330375117 /nfs/dbraw/zinc/37/51/17/330375117.db2.gz SUPCDOUVBOQCGG-BARDWOONSA-N 2 2 288.432 0.717 20 0 CCADLP COC[C@H]([NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000543455102 330375118 /nfs/dbraw/zinc/37/51/18/330375118.db2.gz SUPCDOUVBOQCGG-BARDWOONSA-N 2 2 288.432 0.717 20 0 CCADLP CN(CCC[NH+](C)C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000553548486 334391060 /nfs/dbraw/zinc/39/10/60/334391060.db2.gz GHJQXRVMTRFYJF-LBPRGKRZSA-N 2 2 264.373 0.856 20 0 CCADLP COC(=O)C[C@H]([NH3+])C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000573201542 334916789 /nfs/dbraw/zinc/91/67/89/334916789.db2.gz BIBBVALTSZRGHI-JTQLQIEISA-N 2 2 276.296 0.472 20 0 CCADLP COc1cc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)ccn1 ZINC000576861272 335256692 /nfs/dbraw/zinc/25/66/92/335256692.db2.gz RBNWXLDYNCQGBR-HIFRSBDPSA-N 2 2 277.368 0.947 20 0 CCADLP COc1cc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)ccn1 ZINC000576861274 335256795 /nfs/dbraw/zinc/25/67/95/335256795.db2.gz RBNWXLDYNCQGBR-ZFWWWQNUSA-N 2 2 277.368 0.947 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3cccc(F)c3)CCN2C1=O ZINC000577124954 335304948 /nfs/dbraw/zinc/30/49/48/335304948.db2.gz KIWJXXRAMXQCBW-OLZOCXBDSA-N 2 2 263.316 0.570 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)OC ZINC000577173191 335315530 /nfs/dbraw/zinc/31/55/30/335315530.db2.gz ILAXFOLBDOMAPF-XDQVBPFNSA-N 2 2 284.400 0.573 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)OC ZINC000577173191 335315532 /nfs/dbraw/zinc/31/55/32/335315532.db2.gz ILAXFOLBDOMAPF-XDQVBPFNSA-N 2 2 284.400 0.573 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)OC ZINC000577173191 335315534 /nfs/dbraw/zinc/31/55/34/335315534.db2.gz ILAXFOLBDOMAPF-XDQVBPFNSA-N 2 2 284.400 0.573 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)OC ZINC000577173191 335315535 /nfs/dbraw/zinc/31/55/35/335315535.db2.gz ILAXFOLBDOMAPF-XDQVBPFNSA-N 2 2 284.400 0.573 20 0 CCADLP CCCNC(=O)[C@@H](C)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177373539 335371220 /nfs/dbraw/zinc/37/12/20/335371220.db2.gz LMWVSEOAXPYTCX-CQSZACIVSA-N 2 2 298.475 0.859 20 0 CCADLP CCCNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177373539 335371222 /nfs/dbraw/zinc/37/12/22/335371222.db2.gz LMWVSEOAXPYTCX-CQSZACIVSA-N 2 2 298.475 0.859 20 0 CCADLP CCCNC(=O)[C@@H](C)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177373539 335371224 /nfs/dbraw/zinc/37/12/24/335371224.db2.gz LMWVSEOAXPYTCX-CQSZACIVSA-N 2 2 298.475 0.859 20 0 CCADLP CCCNC(=O)[C@@H](C)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177373539 335371226 /nfs/dbraw/zinc/37/12/26/335371226.db2.gz LMWVSEOAXPYTCX-CQSZACIVSA-N 2 2 298.475 0.859 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]([NH3+])c1cscn1 ZINC000577848279 335410795 /nfs/dbraw/zinc/41/07/95/335410795.db2.gz KMFFHWCPKFXQSL-OYNCUSHFSA-N 2 2 254.359 0.400 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000580883851 335978875 /nfs/dbraw/zinc/97/88/75/335978875.db2.gz DJVDDPBMAUIOKW-NWDGAFQWSA-N 2 2 277.372 0.723 20 0 CCADLP CC(C)C[C@@H](CNC(=O)[C@H]1CC[NH2+]1)[NH+]1CCOCC1 ZINC000384761734 336130732 /nfs/dbraw/zinc/13/07/32/336130732.db2.gz WKJFSWLXDCBBQS-QWHCGFSZSA-N 2 2 269.389 0.211 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000581743478 336141222 /nfs/dbraw/zinc/14/12/22/336141222.db2.gz XRRARYWKUXFSHA-HNNXBMFYSA-N 2 2 297.443 0.897 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000581743478 336141224 /nfs/dbraw/zinc/14/12/24/336141224.db2.gz XRRARYWKUXFSHA-HNNXBMFYSA-N 2 2 297.443 0.897 20 0 CCADLP CCn1cc[nH+]c1CNC[C@H](O)C[N@H+](C)C1CC1 ZINC000385393515 336145308 /nfs/dbraw/zinc/14/53/08/336145308.db2.gz VJGINDVQABBHJO-LBPRGKRZSA-N 2 2 252.362 0.448 20 0 CCADLP CCn1cc[nH+]c1CNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000385393515 336145309 /nfs/dbraw/zinc/14/53/09/336145309.db2.gz VJGINDVQABBHJO-LBPRGKRZSA-N 2 2 252.362 0.448 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1CNC[C@H](O)C[NH+]1CCOCC1 ZINC000581998576 336187910 /nfs/dbraw/zinc/18/79/10/336187910.db2.gz OLLDVTDUDZBZME-CABCVRRESA-N 2 2 285.432 0.144 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1CNC[C@H](O)C[NH+]1CCOCC1 ZINC000581998576 336187911 /nfs/dbraw/zinc/18/79/11/336187911.db2.gz OLLDVTDUDZBZME-CABCVRRESA-N 2 2 285.432 0.144 20 0 CCADLP CCO[C@@H]1C[N@H+](Cc2snnc2C)C[C@H]1C[NH3+] ZINC000405424039 545092376 /nfs/dbraw/zinc/09/23/76/545092376.db2.gz FKQXPBIWRGHSIG-NXEZZACHSA-N 2 2 256.375 0.642 20 0 CCADLP CCO[C@@H]1C[N@@H+](Cc2snnc2C)C[C@H]1C[NH3+] ZINC000405424039 545092377 /nfs/dbraw/zinc/09/23/77/545092377.db2.gz FKQXPBIWRGHSIG-NXEZZACHSA-N 2 2 256.375 0.642 20 0 CCADLP CCC[C@@H]([NH2+]C(C)C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000353106216 520758617 /nfs/dbraw/zinc/75/86/17/520758617.db2.gz BKYKZCQMVIVWAV-ZIAGYGMSSA-N 2 2 285.432 0.990 20 0 CCADLP CCC[C@@H]([NH2+]C(C)C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000353106216 520758627 /nfs/dbraw/zinc/75/86/27/520758627.db2.gz BKYKZCQMVIVWAV-ZIAGYGMSSA-N 2 2 285.432 0.990 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000417513346 545094202 /nfs/dbraw/zinc/09/42/02/545094202.db2.gz XQJRDAKVOAVCIO-STQMWFEESA-N 2 2 298.431 0.666 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000417513346 545094203 /nfs/dbraw/zinc/09/42/03/545094203.db2.gz XQJRDAKVOAVCIO-STQMWFEESA-N 2 2 298.431 0.666 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCCOCC2)CC1 ZINC000363134465 535635935 /nfs/dbraw/zinc/63/59/35/535635935.db2.gz HKSKSCRSXXLEQH-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCCOCC2)CC1 ZINC000363134465 535635943 /nfs/dbraw/zinc/63/59/43/535635943.db2.gz HKSKSCRSXXLEQH-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366055410 520575486 /nfs/dbraw/zinc/57/54/86/520575486.db2.gz YHMRGTXSDVNQBV-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP CCN1C(=O)[C@@H]2C[N@H+](CC[C@@H]3CCC[NH+]3C)CCN2C1=O ZINC000363459219 521531135 /nfs/dbraw/zinc/53/11/35/521531135.db2.gz IPOCWCADIUNJFV-STQMWFEESA-N 2 2 294.399 0.439 20 0 CCADLP CCN1C(=O)[C@@H]2C[N@@H+](CC[C@@H]3CCC[NH+]3C)CCN2C1=O ZINC000363459219 521531141 /nfs/dbraw/zinc/53/11/41/521531141.db2.gz IPOCWCADIUNJFV-STQMWFEESA-N 2 2 294.399 0.439 20 0 CCADLP CCN1C(=O)[C@@H]2C[NH+](CC[C@@H]3CCC[N@@H+]3C)CCN2C1=O ZINC000363459219 521531148 /nfs/dbraw/zinc/53/11/48/521531148.db2.gz IPOCWCADIUNJFV-STQMWFEESA-N 2 2 294.399 0.439 20 0 CCADLP CCN1C(=O)[C@@H]2C[NH+](CC[C@@H]3CCC[N@H+]3C)CCN2C1=O ZINC000363459219 521531152 /nfs/dbraw/zinc/53/11/52/521531152.db2.gz IPOCWCADIUNJFV-STQMWFEESA-N 2 2 294.399 0.439 20 0 CCADLP [NH3+]CCCNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000418311147 534613714 /nfs/dbraw/zinc/61/37/14/534613714.db2.gz LDOGTYALDILZBO-UHFFFAOYSA-N 2 2 282.413 0.924 20 0 CCADLP CN(CC1CC1)C(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000340710871 522614650 /nfs/dbraw/zinc/61/46/50/522614650.db2.gz JGYMRIZCYSFUGT-UHFFFAOYSA-N 2 2 291.399 0.411 20 0 CCADLP O=C1OCC[C@@H]2C[N@H+](CCC[NH+]3CCCC3)CCN12 ZINC000495672778 534810721 /nfs/dbraw/zinc/81/07/21/534810721.db2.gz PWVLLKBYMQDSCJ-CYBMUJFWSA-N 2 2 267.373 0.999 20 0 CCADLP O=C1OCC[C@@H]2C[N@@H+](CCC[NH+]3CCCC3)CCN12 ZINC000495672778 534810725 /nfs/dbraw/zinc/81/07/25/534810725.db2.gz PWVLLKBYMQDSCJ-CYBMUJFWSA-N 2 2 267.373 0.999 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366558906 526063704 /nfs/dbraw/zinc/06/37/04/526063704.db2.gz MHEIRXKTDRDEGV-YCPHGPKFSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366558906 526063716 /nfs/dbraw/zinc/06/37/16/526063716.db2.gz MHEIRXKTDRDEGV-YCPHGPKFSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366558906 526063726 /nfs/dbraw/zinc/06/37/26/526063726.db2.gz MHEIRXKTDRDEGV-YCPHGPKFSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366558906 526063735 /nfs/dbraw/zinc/06/37/35/526063735.db2.gz MHEIRXKTDRDEGV-YCPHGPKFSA-N 2 2 295.427 0.698 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000366660865 526291877 /nfs/dbraw/zinc/29/18/77/526291877.db2.gz BCOAPCRIAFUXNQ-TZMCWYRMSA-N 2 2 262.357 0.779 20 0 CCADLP C[NH2+]C1CC[NH+](Cc2c[nH]c(C(=O)OC)c2)CC1 ZINC000347084635 536440352 /nfs/dbraw/zinc/44/03/52/536440352.db2.gz AUEOACHHIFTJHL-UHFFFAOYSA-N 2 2 251.330 0.985 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)[NH+](C)C ZINC000666243407 545117209 /nfs/dbraw/zinc/11/72/09/545117209.db2.gz HOXQLWFPLFXCFP-ZJUUUORDSA-N 2 2 250.346 0.581 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)[NH+](C)C ZINC000666243407 545117210 /nfs/dbraw/zinc/11/72/10/545117210.db2.gz HOXQLWFPLFXCFP-ZJUUUORDSA-N 2 2 250.346 0.581 20 0 CCADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)NCC1CC1 ZINC000150850463 526805195 /nfs/dbraw/zinc/80/51/95/526805195.db2.gz ZXHNQVWPLQAWSK-CQSZACIVSA-N 2 2 265.401 0.930 20 0 CCADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)NCC1CC1 ZINC000150850463 526805198 /nfs/dbraw/zinc/80/51/98/526805198.db2.gz ZXHNQVWPLQAWSK-CQSZACIVSA-N 2 2 265.401 0.930 20 0 CCADLP CC[N@H+](CCO)CCNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000667251778 545142153 /nfs/dbraw/zinc/14/21/53/545142153.db2.gz UKNZNDRPZPLUQN-NSHDSACASA-N 2 2 283.376 0.095 20 0 CCADLP CC[N@@H+](CCO)CCNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000667251778 545142154 /nfs/dbraw/zinc/14/21/54/545142154.db2.gz UKNZNDRPZPLUQN-NSHDSACASA-N 2 2 283.376 0.095 20 0 CCADLP CNC(=O)[C@@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667626431 545152091 /nfs/dbraw/zinc/15/20/91/545152091.db2.gz UWSDINIOCUDCQM-LLVKDONJSA-N 2 2 262.357 0.787 20 0 CCADLP Cc1nc(N2CC[NH+](C[C@H](O)COC(C)C)CC2)cc[nH+]1 ZINC000183764051 527346575 /nfs/dbraw/zinc/34/65/75/527346575.db2.gz XEDKFISJMJFLDW-AWEZNQCLSA-N 2 2 294.399 0.693 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H](O)C3CC3)CC2)CC1 ZINC000667641763 545152446 /nfs/dbraw/zinc/15/24/46/545152446.db2.gz CNYJDGDONDAUMA-HNNXBMFYSA-N 2 2 295.427 0.432 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CCN2CCCOCC2)n1C ZINC000668166680 545166097 /nfs/dbraw/zinc/16/60/97/545166097.db2.gz DPXJIHBVJVJHDI-UHFFFAOYSA-N 2 2 252.362 0.540 20 0 CCADLP C[C@H]([C@H](C)NC(=O)C1([NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000668319342 545173020 /nfs/dbraw/zinc/17/30/20/545173020.db2.gz GBQZTAJGRGWTAY-NWDGAFQWSA-N 2 2 269.389 0.306 20 0 CCADLP CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000668505630 545179353 /nfs/dbraw/zinc/17/93/53/545179353.db2.gz BNHAVBJNKLUVAL-KBPBESRZSA-N 2 2 298.408 0.724 20 0 CCADLP CC1(C)C[C@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)CO1 ZINC000418077321 527744597 /nfs/dbraw/zinc/74/45/97/527744597.db2.gz LNNKGXCUWVBFTD-QWHCGFSZSA-N 2 2 256.390 0.990 20 0 CCADLP CC1(C)C[C@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)CO1 ZINC000418077321 527744599 /nfs/dbraw/zinc/74/45/99/527744599.db2.gz LNNKGXCUWVBFTD-QWHCGFSZSA-N 2 2 256.390 0.990 20 0 CCADLP C[N@@H+]1CCN(C(=O)CC2(C[NH3+])CCCCC2)[C@@H](C[NH3+])C1 ZINC000669512562 545211490 /nfs/dbraw/zinc/21/14/90/545211490.db2.gz BTIZILNEDSXSCE-ZDUSSCGKSA-N 3 2 282.432 0.387 20 0 CCADLP C[N@H+]1CCN(C(=O)CC2(C[NH3+])CCCCC2)[C@@H](C[NH3+])C1 ZINC000669512562 545211491 /nfs/dbraw/zinc/21/14/91/545211491.db2.gz BTIZILNEDSXSCE-ZDUSSCGKSA-N 3 2 282.432 0.387 20 0 CCADLP COCC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000669699155 545219570 /nfs/dbraw/zinc/21/95/70/545219570.db2.gz UCUPSZPNUZQDHV-KBPBESRZSA-N 2 2 283.416 0.555 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@@H](C)CC[NH3+] ZINC000423527358 528484999 /nfs/dbraw/zinc/48/49/99/528484999.db2.gz MKFVRRQEXWAMQU-RYUDHWBXSA-N 2 2 257.378 0.341 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@@H](C)CC[NH3+] ZINC000423527358 528485004 /nfs/dbraw/zinc/48/50/04/528485004.db2.gz MKFVRRQEXWAMQU-RYUDHWBXSA-N 2 2 257.378 0.341 20 0 CCADLP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000423576661 528495838 /nfs/dbraw/zinc/49/58/38/528495838.db2.gz RLMJVEDFRDZMBE-QWHCGFSZSA-N 2 2 252.362 0.486 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000418116218 528509944 /nfs/dbraw/zinc/50/99/44/528509944.db2.gz QCABPXFFDIDVEY-CYBMUJFWSA-N 2 2 298.431 0.524 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000449118703 528553268 /nfs/dbraw/zinc/55/32/68/528553268.db2.gz ZGQAHZPXISKITI-GFCCVEGCSA-N 2 2 271.405 0.602 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000449118703 528553270 /nfs/dbraw/zinc/55/32/70/528553270.db2.gz ZGQAHZPXISKITI-GFCCVEGCSA-N 2 2 271.405 0.602 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)COC(F)F)C2)CC1 ZINC000671721156 545258942 /nfs/dbraw/zinc/25/89/42/545258942.db2.gz CLLWZOPTUKEPCM-JTQLQIEISA-N 2 2 291.342 0.510 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)COC(F)F)C2)CC1 ZINC000671721156 545258943 /nfs/dbraw/zinc/25/89/43/545258943.db2.gz CLLWZOPTUKEPCM-JTQLQIEISA-N 2 2 291.342 0.510 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000418415105 529056618 /nfs/dbraw/zinc/05/66/18/529056618.db2.gz UEXXIRNRPKMOLK-CYBMUJFWSA-N 2 2 291.399 0.897 20 0 CCADLP O=C(N[C@@H](CO)C[NH+]1CCCC1)c1ccc2[nH+]ccn2c1 ZINC000673531035 545288156 /nfs/dbraw/zinc/28/81/56/545288156.db2.gz PLRVZYIUIWGKFN-CYBMUJFWSA-N 2 2 288.351 0.521 20 0 CCADLP C[C@@H](C(=O)N(C)CCCC[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000673840210 545293488 /nfs/dbraw/zinc/29/34/88/545293488.db2.gz GLAKTAFBUCMFSQ-AWEZNQCLSA-N 2 2 284.448 0.423 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC000517326905 535125216 /nfs/dbraw/zinc/12/52/16/535125216.db2.gz RFTIHRIDKCBDNI-HUUCEWRRSA-N 2 2 296.415 0.190 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000342135828 535276791 /nfs/dbraw/zinc/27/67/91/535276791.db2.gz QITRQMCUERZHQY-VIFPVBQESA-N 2 2 256.350 0.080 20 0 CCADLP C[NH+]1CCN(CC(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000675605834 545329218 /nfs/dbraw/zinc/32/92/18/545329218.db2.gz ZIPZOAIPYQNYLR-UHFFFAOYSA-N 2 2 287.367 0.198 20 0 CCADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC000347448107 535550374 /nfs/dbraw/zinc/55/03/74/535550374.db2.gz VTOOXIMOOKRXHZ-LBPRGKRZSA-N 2 2 297.403 0.041 20 0 CCADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC000347448107 535550380 /nfs/dbraw/zinc/55/03/80/535550380.db2.gz VTOOXIMOOKRXHZ-LBPRGKRZSA-N 2 2 297.403 0.041 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1 ZINC000676347510 545342166 /nfs/dbraw/zinc/34/21/66/545342166.db2.gz KGISPMHTCZWRGQ-NWDGAFQWSA-N 2 2 257.378 0.162 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1 ZINC000676347510 545342167 /nfs/dbraw/zinc/34/21/67/545342167.db2.gz KGISPMHTCZWRGQ-NWDGAFQWSA-N 2 2 257.378 0.162 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000676347510 545342168 /nfs/dbraw/zinc/34/21/68/545342168.db2.gz KGISPMHTCZWRGQ-NWDGAFQWSA-N 2 2 257.378 0.162 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000676347510 545342169 /nfs/dbraw/zinc/34/21/69/545342169.db2.gz KGISPMHTCZWRGQ-NWDGAFQWSA-N 2 2 257.378 0.162 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@](O)(C3CC3)C2)CC1 ZINC000370081700 535638594 /nfs/dbraw/zinc/63/85/94/535638594.db2.gz KAOHNDXNIGCSKR-BBRMVZONSA-N 2 2 295.427 0.386 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@](O)(C3CC3)C2)CC1 ZINC000370081700 535638595 /nfs/dbraw/zinc/63/85/95/535638595.db2.gz KAOHNDXNIGCSKR-BBRMVZONSA-N 2 2 295.427 0.386 20 0 CCADLP CCN1CC[NH+](CCCC[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000343304348 535695104 /nfs/dbraw/zinc/69/51/04/535695104.db2.gz OKTCDOOYDBNNBA-JKSUJKDBSA-N 3 2 282.476 0.944 20 0 CCADLP CCN1CC[NH+](CCCC[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000343304348 535695108 /nfs/dbraw/zinc/69/51/08/535695108.db2.gz OKTCDOOYDBNNBA-JKSUJKDBSA-N 3 2 282.476 0.944 20 0 CCADLP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000676842983 545353399 /nfs/dbraw/zinc/35/33/99/545353399.db2.gz LAPCHMQYRXSKSL-OCCSQVGLSA-N 2 2 292.383 0.282 20 0 CCADLP CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000676842983 545353400 /nfs/dbraw/zinc/35/34/00/545353400.db2.gz LAPCHMQYRXSKSL-OCCSQVGLSA-N 2 2 292.383 0.282 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@@H]1C ZINC000677194117 545360789 /nfs/dbraw/zinc/36/07/89/545360789.db2.gz QKDHWFUYPGCFKM-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@@H]1C ZINC000677194117 545360790 /nfs/dbraw/zinc/36/07/90/545360790.db2.gz QKDHWFUYPGCFKM-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP CC(C)(CO)[NH+]1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000677649057 545369990 /nfs/dbraw/zinc/36/99/90/545369990.db2.gz WQTIQFQGCYJMRK-UHFFFAOYSA-N 2 2 294.399 0.578 20 0 CCADLP Cc1c(C[NH+]2CCN(c3[nH+]ccn3C)CC2)cnn1C ZINC000677695099 545370849 /nfs/dbraw/zinc/37/08/49/545370849.db2.gz FFEMQRKHNMEXSU-UHFFFAOYSA-N 2 2 274.372 0.784 20 0 CCADLP CN(CCO)c1ccc(NCc2c[nH+]cn2C)[nH+]c1 ZINC000677850922 545374478 /nfs/dbraw/zinc/37/44/78/545374478.db2.gz UELLASXSJAAYHV-UHFFFAOYSA-N 2 2 261.329 0.856 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000678081547 545383717 /nfs/dbraw/zinc/38/37/17/545383717.db2.gz VJAIALLWBATEGF-UONOGXRCSA-N 2 2 281.400 0.580 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000678081547 545383718 /nfs/dbraw/zinc/38/37/18/545383718.db2.gz VJAIALLWBATEGF-UONOGXRCSA-N 2 2 281.400 0.580 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+]([C@H]2CCCOC2)CC1 ZINC000678083262 545384053 /nfs/dbraw/zinc/38/40/53/545384053.db2.gz XZBKNPHAIVJFOB-KBPBESRZSA-N 2 2 281.400 0.580 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+]([C@H]2CCCOC2)CC1 ZINC000678083262 545384054 /nfs/dbraw/zinc/38/40/54/545384054.db2.gz XZBKNPHAIVJFOB-KBPBESRZSA-N 2 2 281.400 0.580 20 0 CCADLP COCCNC(=O)C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000678881545 545399270 /nfs/dbraw/zinc/39/92/70/545399270.db2.gz LYNZFLPSVRVNHC-UHFFFAOYSA-N 2 2 294.399 0.748 20 0 CCADLP C[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C[C@@H]1F ZINC000679183147 545403333 /nfs/dbraw/zinc/40/33/33/545403333.db2.gz NYQSYSHLRXGKBZ-GRYCIOLGSA-N 2 2 285.363 0.355 20 0 CCADLP COC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000262401955 536659316 /nfs/dbraw/zinc/65/93/16/536659316.db2.gz ZTCFYDBSFBCVDI-TZMCWYRMSA-N 2 2 292.383 0.261 20 0 CCADLP C[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000680476596 545429533 /nfs/dbraw/zinc/42/95/33/545429533.db2.gz DJCUCUHGIAAFKP-GFCCVEGCSA-N 2 2 276.384 0.972 20 0 CCADLP C[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000680476596 545429534 /nfs/dbraw/zinc/42/95/34/545429534.db2.gz DJCUCUHGIAAFKP-GFCCVEGCSA-N 2 2 276.384 0.972 20 0 CCADLP Cn1nc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c2ccccc21 ZINC000680815008 545435108 /nfs/dbraw/zinc/43/51/08/545435108.db2.gz GVAROXFEVCBGDA-OAHLLOKOSA-N 2 2 274.368 0.730 20 0 CCADLP Cn1nc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c2ccccc21 ZINC000680815008 545435109 /nfs/dbraw/zinc/43/51/09/545435109.db2.gz GVAROXFEVCBGDA-OAHLLOKOSA-N 2 2 274.368 0.730 20 0 CCADLP CN(C)c1c[nH+]ccc1NC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000681363244 545451744 /nfs/dbraw/zinc/45/17/44/545451744.db2.gz PHUFYJAZAXPXNQ-LLVKDONJSA-N 2 2 294.424 0.945 20 0 CCADLP CN(C)c1c[nH+]ccc1NC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000681363244 545451745 /nfs/dbraw/zinc/45/17/45/545451745.db2.gz PHUFYJAZAXPXNQ-LLVKDONJSA-N 2 2 294.424 0.945 20 0 CCADLP C[N@@H+]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000681579597 545456829 /nfs/dbraw/zinc/45/68/29/545456829.db2.gz ZGFUQTHRGSZNNH-GFCCVEGCSA-N 2 2 262.357 0.610 20 0 CCADLP C[N@H+]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000681579597 545456830 /nfs/dbraw/zinc/45/68/30/545456830.db2.gz ZGFUQTHRGSZNNH-GFCCVEGCSA-N 2 2 262.357 0.610 20 0 CCADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)C(N)=O ZINC000683724354 545560881 /nfs/dbraw/zinc/56/08/81/545560881.db2.gz SAXLHZYUJFVNQL-LLVKDONJSA-N 2 2 262.357 0.509 20 0 CCADLP CC(C)(C(=O)NCCC[NH+]1CCOCC1)c1c[nH]c[nH+]1 ZINC000683917592 545585093 /nfs/dbraw/zinc/58/50/93/545585093.db2.gz HMOIZZAJHWKRJN-UHFFFAOYSA-N 2 2 280.372 0.526 20 0 CCADLP Fc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c(-c2nn[nH]n2)c1 ZINC000737647591 581114103 /nfs/dbraw/zinc/11/41/03/581114103.db2.gz GZPCYPMIZRXUDS-QWRGUYRKSA-N 2 2 288.330 0.657 20 0 CCADLP COCC[N@@H+](CC(=O)OC)CC1CC[NH+](C)CC1 ZINC000790081276 581176304 /nfs/dbraw/zinc/17/63/04/581176304.db2.gz YFJVXUWEKJOPRL-UHFFFAOYSA-N 2 2 258.362 0.450 20 0 CCADLP COCC[N@H+](CC(=O)OC)CC1CC[NH+](C)CC1 ZINC000790081276 581176305 /nfs/dbraw/zinc/17/63/05/581176305.db2.gz YFJVXUWEKJOPRL-UHFFFAOYSA-N 2 2 258.362 0.450 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000726254707 581233576 /nfs/dbraw/zinc/23/35/76/581233576.db2.gz GAPNKIDEAJRFBL-ZDUSSCGKSA-N 2 2 286.420 0.347 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000726254707 581233578 /nfs/dbraw/zinc/23/35/78/581233578.db2.gz GAPNKIDEAJRFBL-ZDUSSCGKSA-N 2 2 286.420 0.347 20 0 CCADLP CC(C)[NH+](C)CCNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000726254707 581233579 /nfs/dbraw/zinc/23/35/79/581233579.db2.gz GAPNKIDEAJRFBL-ZDUSSCGKSA-N 2 2 286.420 0.347 20 0 CCADLP CC(C)[NH+](C)CCNC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000726254707 581233581 /nfs/dbraw/zinc/23/35/81/581233581.db2.gz GAPNKIDEAJRFBL-ZDUSSCGKSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@@H]2CCC[NH+]2C)CCO1 ZINC000726713997 581247297 /nfs/dbraw/zinc/24/72/97/581247297.db2.gz XNSLLNXIXDWLPK-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H]2CCC[NH+]2C)CCO1 ZINC000726713997 581247299 /nfs/dbraw/zinc/24/72/99/581247299.db2.gz XNSLLNXIXDWLPK-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC000726713997 581247300 /nfs/dbraw/zinc/24/73/00/581247300.db2.gz XNSLLNXIXDWLPK-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2CCC[N@H+]2C)CCO1 ZINC000726713997 581247302 /nfs/dbraw/zinc/24/73/02/581247302.db2.gz XNSLLNXIXDWLPK-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@]1(C(N)=O)CC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000793391321 581296336 /nfs/dbraw/zinc/29/63/36/581296336.db2.gz XGUHDXJZTMFQDP-OAHLLOKOSA-N 2 2 285.351 0.965 20 0 CCADLP C[C@@]1(C(N)=O)CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000793391321 581296338 /nfs/dbraw/zinc/29/63/38/581296338.db2.gz XGUHDXJZTMFQDP-OAHLLOKOSA-N 2 2 285.351 0.965 20 0 CCADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+](C)C[C@@H]2CCOC2)C1 ZINC000783989893 581369686 /nfs/dbraw/zinc/36/96/86/581369686.db2.gz OLZKSWCREHBPAM-STQMWFEESA-N 2 2 292.383 0.662 20 0 CCADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+](C)C[C@@H]2CCOC2)C1 ZINC000783989893 581369688 /nfs/dbraw/zinc/36/96/88/581369688.db2.gz OLZKSWCREHBPAM-STQMWFEESA-N 2 2 292.383 0.662 20 0 CCADLP COC[C@@H]1CCC[N@@H+]1CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783991368 581369870 /nfs/dbraw/zinc/36/98/70/581369870.db2.gz VVZRIRMSOGIPAK-STQMWFEESA-N 2 2 292.383 0.804 20 0 CCADLP COC[C@@H]1CCC[N@H+]1CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783991368 581369871 /nfs/dbraw/zinc/36/98/71/581369871.db2.gz VVZRIRMSOGIPAK-STQMWFEESA-N 2 2 292.383 0.804 20 0 CCADLP COCC[N@@H+]1CC[C@H]([NH2+]CCCNc2ncccn2)C1 ZINC000784575609 581388961 /nfs/dbraw/zinc/38/89/61/581388961.db2.gz WDOGUUJHIPKRAL-ZDUSSCGKSA-N 2 2 279.388 0.589 20 0 CCADLP COCC[N@H+]1CC[C@H]([NH2+]CCCNc2ncccn2)C1 ZINC000784575609 581388963 /nfs/dbraw/zinc/38/89/63/581388963.db2.gz WDOGUUJHIPKRAL-ZDUSSCGKSA-N 2 2 279.388 0.589 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000784605582 581390648 /nfs/dbraw/zinc/39/06/48/581390648.db2.gz BAWXHLHQKNHKKF-HNNXBMFYSA-N 2 2 298.427 0.572 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000784605582 581390650 /nfs/dbraw/zinc/39/06/50/581390650.db2.gz BAWXHLHQKNHKKF-HNNXBMFYSA-N 2 2 298.427 0.572 20 0 CCADLP CCC[N@H+](CC(N)=O)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000795527111 581410631 /nfs/dbraw/zinc/41/06/31/581410631.db2.gz TUFAFNGFAWZJNO-UHFFFAOYSA-N 2 2 273.340 0.965 20 0 CCADLP CCC[N@@H+](CC(N)=O)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000795527111 581410634 /nfs/dbraw/zinc/41/06/34/581410634.db2.gz TUFAFNGFAWZJNO-UHFFFAOYSA-N 2 2 273.340 0.965 20 0 CCADLP Cc1nc(F)ccc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000785513061 581411025 /nfs/dbraw/zinc/41/10/25/581411025.db2.gz FODWMELIVZLUKP-ZDUSSCGKSA-N 2 2 253.321 0.685 20 0 CCADLP Cc1nc(F)ccc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000785513061 581411027 /nfs/dbraw/zinc/41/10/27/581411027.db2.gz FODWMELIVZLUKP-ZDUSSCGKSA-N 2 2 253.321 0.685 20 0 CCADLP CC(C)([NH2+]CCn1cc[nH+]c1)C(=O)N1CCCC1 ZINC000796583755 581444870 /nfs/dbraw/zinc/44/48/70/581444870.db2.gz HXXFGACPJKRUGM-UHFFFAOYSA-N 2 2 250.346 0.874 20 0 CCADLP Cc1cc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)cc(Cl)n1 ZINC000797598106 581468656 /nfs/dbraw/zinc/46/86/56/581468656.db2.gz OAFIIDXLCFKBMU-UHFFFAOYSA-N 2 2 296.802 0.907 20 0 CCADLP O=C1CC[C@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)C(=O)N1 ZINC000765967480 581543414 /nfs/dbraw/zinc/54/34/14/581543414.db2.gz XKSBJGDFLDMGGE-JTQLQIEISA-N 2 2 262.313 0.394 20 0 CCADLP CCn1cc[nH+]c1CN1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000734150126 581545957 /nfs/dbraw/zinc/54/59/57/581545957.db2.gz QDRHPNYRJIDNNE-CQSZACIVSA-N 2 2 278.400 0.792 20 0 CCADLP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCO[C@@H](CO)C2)cc1 ZINC000420308972 581580515 /nfs/dbraw/zinc/58/05/15/581580515.db2.gz SRAXYNNLNKIIRL-DZGCQCFKSA-N 2 2 280.368 0.431 20 0 CCADLP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCO[C@@H](CO)C2)cc1 ZINC000420308972 581580519 /nfs/dbraw/zinc/58/05/19/581580519.db2.gz SRAXYNNLNKIIRL-DZGCQCFKSA-N 2 2 280.368 0.431 20 0 CCADLP C(C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)C1OCCCO1 ZINC000754665908 581603298 /nfs/dbraw/zinc/60/32/98/581603298.db2.gz SACICZHROVAZFS-CQSZACIVSA-N 2 2 284.400 0.794 20 0 CCADLP C(C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)C1OCCCO1 ZINC000754665908 581603302 /nfs/dbraw/zinc/60/33/02/581603302.db2.gz SACICZHROVAZFS-CQSZACIVSA-N 2 2 284.400 0.794 20 0 CCADLP O=C1OCCN1CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000741811390 581764062 /nfs/dbraw/zinc/76/40/62/581764062.db2.gz YZBVHFJWSXNZAJ-ZDUSSCGKSA-N 2 2 283.372 0.093 20 0 CCADLP O=C1OCCN1CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000741811390 581764067 /nfs/dbraw/zinc/76/40/67/581764067.db2.gz YZBVHFJWSXNZAJ-ZDUSSCGKSA-N 2 2 283.372 0.093 20 0 CCADLP C[NH+]1CCN(C(=O)CC2CC[NH+](CCF)CC2)CC1 ZINC000759344201 581794882 /nfs/dbraw/zinc/79/48/82/581794882.db2.gz AYRKLENXEGEUKJ-UHFFFAOYSA-N 2 2 271.380 0.832 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)NCC[NH+](C)C2CC2)CCO1 ZINC000732889178 581853299 /nfs/dbraw/zinc/85/32/99/581853299.db2.gz TZOBXWMADUWAPL-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC[NH+](C)C2CC2)CCO1 ZINC000732889178 581853301 /nfs/dbraw/zinc/85/33/01/581853301.db2.gz TZOBXWMADUWAPL-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)NCC[N@H+](C)C2CC2)CCO1 ZINC000732889178 581853302 /nfs/dbraw/zinc/85/33/02/581853302.db2.gz TZOBXWMADUWAPL-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)NCC[N@@H+](C)C2CC2)CCO1 ZINC000732889178 581853304 /nfs/dbraw/zinc/85/33/04/581853304.db2.gz TZOBXWMADUWAPL-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP COC(=O)/C(C)=C/C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000760877570 581878148 /nfs/dbraw/zinc/87/81/48/581878148.db2.gz XVBXKCGRXAQWJP-UUILKARUSA-N 2 2 278.356 0.661 20 0 CCADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCS(C)(=O)=O)C1 ZINC000746674636 581922124 /nfs/dbraw/zinc/92/21/24/581922124.db2.gz HWTXBRFODKQYKU-CYBMUJFWSA-N 2 2 292.445 0.464 20 0 CCADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCS(C)(=O)=O)C1 ZINC000746674636 581922125 /nfs/dbraw/zinc/92/21/25/581922125.db2.gz HWTXBRFODKQYKU-CYBMUJFWSA-N 2 2 292.445 0.464 20 0 CCADLP OC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000762362136 581942134 /nfs/dbraw/zinc/94/21/34/581942134.db2.gz VEBPHRNHQZAVQP-STQMWFEESA-N 2 2 274.324 0.195 20 0 CCADLP OC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000762362136 581942136 /nfs/dbraw/zinc/94/21/36/581942136.db2.gz VEBPHRNHQZAVQP-STQMWFEESA-N 2 2 274.324 0.195 20 0 CCADLP C[C@H]1C[NH+](CCC[NH2+]C2CCN(C=O)CC2)C[C@H](C)O1 ZINC000774107963 581960146 /nfs/dbraw/zinc/96/01/46/581960146.db2.gz CVYPZTDJSOMPGY-KBPBESRZSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[C@H]([NH+](C)CCN2CCOC2=O)CC[N@@H+]1C ZINC000749115021 581997492 /nfs/dbraw/zinc/99/74/92/581997492.db2.gz GVXKOFXMHJWAQB-VXGBXAGGSA-N 2 2 255.362 0.853 20 0 CCADLP C[C@@H]1C[C@H]([NH+](C)CCN2CCOC2=O)CC[N@H+]1C ZINC000749115021 581997494 /nfs/dbraw/zinc/99/74/94/581997494.db2.gz GVXKOFXMHJWAQB-VXGBXAGGSA-N 2 2 255.362 0.853 20 0 CCADLP C[C@@H]1C[C@H]([N@H+](C)CCN2CCOC2=O)CC[NH+]1C ZINC000749115021 581997496 /nfs/dbraw/zinc/99/74/96/581997496.db2.gz GVXKOFXMHJWAQB-VXGBXAGGSA-N 2 2 255.362 0.853 20 0 CCADLP C[C@@H]1C[C@H]([N@@H+](C)CCN2CCOC2=O)CC[NH+]1C ZINC000749115021 581997498 /nfs/dbraw/zinc/99/74/98/581997498.db2.gz GVXKOFXMHJWAQB-VXGBXAGGSA-N 2 2 255.362 0.853 20 0 CCADLP NC(=O)C1([NH2+]C[C@H](O)C[NH+]2CCCC2)CCCCC1 ZINC000749360458 582003901 /nfs/dbraw/zinc/00/39/01/582003901.db2.gz NPLOHYGGANRTSM-LBPRGKRZSA-N 2 2 269.389 0.221 20 0 CCADLP C[C@H]1CN(C(=O)C[NH+](C)[C@H]2CCSC2)CC[N@@H+]1C ZINC000764402796 582044874 /nfs/dbraw/zinc/04/48/74/582044874.db2.gz OOQVQRBORAHTCG-RYUDHWBXSA-N 2 2 271.430 0.586 20 0 CCADLP C[C@H]1CN(C(=O)C[NH+](C)[C@H]2CCSC2)CC[N@H+]1C ZINC000764402796 582044875 /nfs/dbraw/zinc/04/48/75/582044875.db2.gz OOQVQRBORAHTCG-RYUDHWBXSA-N 2 2 271.430 0.586 20 0 CCADLP C[C@H]1CN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC[NH+]1C ZINC000764402796 582044877 /nfs/dbraw/zinc/04/48/77/582044877.db2.gz OOQVQRBORAHTCG-RYUDHWBXSA-N 2 2 271.430 0.586 20 0 CCADLP C[C@H]1CN(C(=O)C[N@@H+](C)[C@H]2CCSC2)CC[NH+]1C ZINC000764402796 582044879 /nfs/dbraw/zinc/04/48/79/582044879.db2.gz OOQVQRBORAHTCG-RYUDHWBXSA-N 2 2 271.430 0.586 20 0 CCADLP CNC(=O)CC[NH+]1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000750830611 582060509 /nfs/dbraw/zinc/06/05/09/582060509.db2.gz QKBIAJLVLCMYBN-JTQLQIEISA-N 2 2 270.402 0.231 20 0 CCADLP CN(C)c1ccc(CNC(=O)CC[NH+]2CCOCC2)c[nH+]1 ZINC000750864173 582061953 /nfs/dbraw/zinc/06/19/53/582061953.db2.gz JJMQJOIKCIKZLT-UHFFFAOYSA-N 2 2 292.383 0.486 20 0 CCADLP Cn1cc[nH+]c1N1CCN(c2nc[nH+]c(N)c2Cl)CC1 ZINC000764835212 582070186 /nfs/dbraw/zinc/07/01/86/582070186.db2.gz NXBFLOSJMLYCFQ-UHFFFAOYSA-N 2 2 293.762 0.772 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCOCC[C@H]1C ZINC000846847833 616964491 /nfs/dbraw/zinc/96/44/91/616964491.db2.gz OQEYTQZZGGINHZ-CHWSQXEVSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCOCC[C@H]1C ZINC000846847833 616964495 /nfs/dbraw/zinc/96/44/95/616964495.db2.gz OQEYTQZZGGINHZ-CHWSQXEVSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCOCC[C@H]1C ZINC000846847833 616964498 /nfs/dbraw/zinc/96/44/98/616964498.db2.gz OQEYTQZZGGINHZ-CHWSQXEVSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCOCC[C@H]1C ZINC000846847833 616964499 /nfs/dbraw/zinc/96/44/99/616964499.db2.gz OQEYTQZZGGINHZ-CHWSQXEVSA-N 2 2 260.378 0.036 20 0 CCADLP C[C@@H]([NH3+])C[N@H+](C)C[C@H](O)COc1ccccc1F ZINC000923410190 617175139 /nfs/dbraw/zinc/17/51/39/617175139.db2.gz LCLQTBRTPLPQBA-MNOVXSKESA-N 2 2 256.321 0.844 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+](C)C[C@H](O)COc1ccccc1F ZINC000923410190 617175140 /nfs/dbraw/zinc/17/51/40/617175140.db2.gz LCLQTBRTPLPQBA-MNOVXSKESA-N 2 2 256.321 0.844 20 0 CCADLP C[C@@H](NC(=O)/C=C\C[NH+]1CCOCC1)C(C)(C)C[NH+](C)C ZINC000866059310 617180116 /nfs/dbraw/zinc/18/01/16/617180116.db2.gz MHBIQTHJGLYDHI-LMVHVUTASA-N 2 2 297.443 0.967 20 0 CCADLP COc1cc([C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)on1 ZINC000924944794 617216573 /nfs/dbraw/zinc/21/65/73/617216573.db2.gz DYHHBKFKTUQULF-LLVKDONJSA-N 2 2 296.371 0.498 20 0 CCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)NCc1ccccn1 ZINC000844220702 614181829 /nfs/dbraw/zinc/18/18/29/614181829.db2.gz KESVHXHLGKRFIL-CQSZACIVSA-N 2 2 264.373 0.661 20 0 CCADLP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCCNC(=O)C2)cc1 ZINC000872156651 617278768 /nfs/dbraw/zinc/27/87/68/617278768.db2.gz BTJPUJGNTABFBI-ZDUSSCGKSA-N 2 2 277.368 0.559 20 0 CCADLP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCCNC(=O)C2)cc1 ZINC000872156651 617278770 /nfs/dbraw/zinc/27/87/70/617278770.db2.gz BTJPUJGNTABFBI-ZDUSSCGKSA-N 2 2 277.368 0.559 20 0 CCADLP C([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@H]1COC2(CCOCC2)O1 ZINC000925629848 613222774 /nfs/dbraw/zinc/22/27/74/613222774.db2.gz PVNDCDVOTQTTAE-QWHCGFSZSA-N 2 2 282.384 0.783 20 0 CCADLP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903872187 613226774 /nfs/dbraw/zinc/22/67/74/613226774.db2.gz WYOASWLPQBCBFG-RRFJBIMHSA-N 3 2 265.401 0.583 20 0 CCADLP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903872187 613226776 /nfs/dbraw/zinc/22/67/76/613226776.db2.gz WYOASWLPQBCBFG-RRFJBIMHSA-N 3 2 265.401 0.583 20 0 CCADLP C/C(=C/C(=O)N1CC(C[NH+](C)C)C1)C[NH+]1CCOCC1 ZINC000908533961 613228499 /nfs/dbraw/zinc/22/84/99/613228499.db2.gz REXVKTXMUOMSFZ-JYRVWZFOSA-N 2 2 281.400 0.285 20 0 CCADLP C(OC1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1)[C@H]1CCCO1 ZINC000852744961 613229218 /nfs/dbraw/zinc/22/92/18/613229218.db2.gz LXKGPMKHLGEBJU-HUUCEWRRSA-N 2 2 284.400 0.635 20 0 CCADLP C1CC1[C@@H]([NH2+][C@H]1COC[C@H]1C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000902520449 613230871 /nfs/dbraw/zinc/23/08/71/613230871.db2.gz OQTZUBXFRYSJJM-ZQDZILKHSA-N 2 2 266.385 0.768 20 0 CCADLP C1C[C@@H]([NH2+][C@@H]2C[NH2+]CCOC2)C2(C1)CCOCC2 ZINC000925661768 613231370 /nfs/dbraw/zinc/23/13/70/613231370.db2.gz WMGBPKWWPDVKIA-CHWSQXEVSA-N 2 2 254.374 0.914 20 0 CCADLP C(C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)O[C@@H]1CCOC1 ZINC000930320227 613231408 /nfs/dbraw/zinc/23/14/08/613231408.db2.gz TVJKYWFPMXBDEB-HZPDHXFCSA-N 2 2 298.427 0.979 20 0 CCADLP C(C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)O[C@@H]1CCOC1 ZINC000930320227 613231411 /nfs/dbraw/zinc/23/14/11/613231411.db2.gz TVJKYWFPMXBDEB-HZPDHXFCSA-N 2 2 298.427 0.979 20 0 CCADLP C/C(=C/C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)C[NH+]1CCOCC1 ZINC000900372264 613240380 /nfs/dbraw/zinc/24/03/80/613240380.db2.gz RJMMSFIZBLXNFK-ZVHGMHCTSA-N 2 2 293.411 0.618 20 0 CCADLP C/C(=C/C(=O)N[C@H]1CC[N@H+](C2CC2)C1)C[NH+]1CCOCC1 ZINC000900372264 613240381 /nfs/dbraw/zinc/24/03/81/613240381.db2.gz RJMMSFIZBLXNFK-ZVHGMHCTSA-N 2 2 293.411 0.618 20 0 CCADLP CC(=O)NC[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000860172922 613886981 /nfs/dbraw/zinc/88/69/81/613886981.db2.gz QRRSTFNJCGEMIT-HUUCEWRRSA-N 2 2 283.416 0.434 20 0 CCADLP CC(=O)NC[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000860172922 613886983 /nfs/dbraw/zinc/88/69/83/613886983.db2.gz QRRSTFNJCGEMIT-HUUCEWRRSA-N 2 2 283.416 0.434 20 0 CCADLP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)CS(C)(=O)=O)CC1 ZINC000927024740 613923653 /nfs/dbraw/zinc/92/36/53/613923653.db2.gz DAZOPOYSITVMGS-LBPRGKRZSA-N 2 2 292.445 0.244 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NC12CC[NH+](CC1)C2 ZINC000913635736 613940309 /nfs/dbraw/zinc/94/03/09/613940309.db2.gz NHBYMENYTCYWTF-NSHDSACASA-N 2 2 251.374 0.824 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NC12CC[NH+](CC1)C2 ZINC000913635736 613940310 /nfs/dbraw/zinc/94/03/10/613940310.db2.gz NHBYMENYTCYWTF-NSHDSACASA-N 2 2 251.374 0.824 20 0 CCADLP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000928565140 614076039 /nfs/dbraw/zinc/07/60/39/614076039.db2.gz KAPAOHRRYIALAI-TUVASFSCSA-N 2 2 297.443 0.941 20 0 CCADLP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+]1C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000928565140 614076040 /nfs/dbraw/zinc/07/60/40/614076040.db2.gz KAPAOHRRYIALAI-TUVASFSCSA-N 2 2 297.443 0.941 20 0 CCADLP CC(C)([NH3+])CCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000891471291 614160589 /nfs/dbraw/zinc/16/05/89/614160589.db2.gz IQLUTVPDKPAEJR-UHFFFAOYSA-N 2 2 286.420 0.524 20 0 CCADLP CC(C)([NH3+])CCNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000891471291 614160592 /nfs/dbraw/zinc/16/05/92/614160592.db2.gz IQLUTVPDKPAEJR-UHFFFAOYSA-N 2 2 286.420 0.524 20 0 CCADLP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000886593701 614202049 /nfs/dbraw/zinc/20/20/49/614202049.db2.gz XGFFGGAFYUUUPE-ZIAGYGMSSA-N 2 2 283.416 0.506 20 0 CCADLP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000886593701 614202053 /nfs/dbraw/zinc/20/20/53/614202053.db2.gz XGFFGGAFYUUUPE-ZIAGYGMSSA-N 2 2 283.416 0.506 20 0 CCADLP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000886593701 614202054 /nfs/dbraw/zinc/20/20/54/614202054.db2.gz XGFFGGAFYUUUPE-ZIAGYGMSSA-N 2 2 283.416 0.506 20 0 CCADLP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000886593701 614202056 /nfs/dbraw/zinc/20/20/56/614202056.db2.gz XGFFGGAFYUUUPE-ZIAGYGMSSA-N 2 2 283.416 0.506 20 0 CCADLP CC(C)C[C@@](C)(C[NH3+])NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876537102 614208099 /nfs/dbraw/zinc/20/80/99/614208099.db2.gz WWPSPBZXMBRTAX-XVWMLYKFSA-N 2 2 283.416 0.755 20 0 CCADLP CC(C)[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cnn(C)c1 ZINC000886524177 614249753 /nfs/dbraw/zinc/24/97/53/614249753.db2.gz FPAUFCJNGJIXDL-OLZOCXBDSA-N 2 2 254.378 0.629 20 0 CCADLP CC(C)(C(=O)N1CCC([NH+]2CCC2)CC1)[NH+]1CCOCC1 ZINC000912872791 614289460 /nfs/dbraw/zinc/28/94/60/614289460.db2.gz AMFYUXZXBXJWIZ-UHFFFAOYSA-N 2 2 295.427 0.794 20 0 CCADLP CC(C)[N@@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900539705 614332543 /nfs/dbraw/zinc/33/25/43/614332543.db2.gz DFVUBLWOIQLWER-UHFFFAOYSA-N 2 2 250.346 0.895 20 0 CCADLP CC(C)[N@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900539705 614332544 /nfs/dbraw/zinc/33/25/44/614332544.db2.gz DFVUBLWOIQLWER-UHFFFAOYSA-N 2 2 250.346 0.895 20 0 CCADLP CCC[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000972730722 614531020 /nfs/dbraw/zinc/53/10/20/614531020.db2.gz ZEKHREZEDYTWAQ-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP CCC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000972730722 614531021 /nfs/dbraw/zinc/53/10/21/614531021.db2.gz ZEKHREZEDYTWAQ-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP CCN(C(=O)/C=C(\C)C[NH+]1CCOCC1)[C@@H]1CC[N@H+](C)C1 ZINC000912306977 614559588 /nfs/dbraw/zinc/55/95/88/614559588.db2.gz HKUMWJXMTYARFZ-ATGUSINASA-N 2 2 295.427 0.818 20 0 CCADLP CCN(C(=O)/C=C(\C)C[NH+]1CCOCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000912306977 614559591 /nfs/dbraw/zinc/55/95/91/614559591.db2.gz HKUMWJXMTYARFZ-ATGUSINASA-N 2 2 295.427 0.818 20 0 CCADLP CCC[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CC[NH2+]C1 ZINC000923283859 614585154 /nfs/dbraw/zinc/58/51/54/614585154.db2.gz DODGYHWWBLVVHO-CHWSQXEVSA-N 3 2 253.390 0.439 20 0 CCADLP CCC[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CC[NH2+]C1 ZINC000923283859 614585157 /nfs/dbraw/zinc/58/51/57/614585157.db2.gz DODGYHWWBLVVHO-CHWSQXEVSA-N 3 2 253.390 0.439 20 0 CCADLP CCC([NH3+])(CC)CNC(=O)NCc1c[nH+]cn1C ZINC000892035854 614587013 /nfs/dbraw/zinc/58/70/13/614587013.db2.gz FWCKMTDYHGWXEO-UHFFFAOYSA-N 2 2 253.350 0.737 20 0 CCADLP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1C[NH+](C[C@H](C)O)C1 ZINC000950631422 614617301 /nfs/dbraw/zinc/61/73/01/614617301.db2.gz NFZLRKCUTNWMQF-JSGCOSHPSA-N 2 2 283.416 0.384 20 0 CCADLP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C1C[NH+](C[C@H](C)O)C1 ZINC000950631422 614617303 /nfs/dbraw/zinc/61/73/03/614617303.db2.gz NFZLRKCUTNWMQF-JSGCOSHPSA-N 2 2 283.416 0.384 20 0 CCADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1C[NH+](CC2CC2)C1 ZINC000949830365 614635901 /nfs/dbraw/zinc/63/59/01/614635901.db2.gz LAGAYIZMIOABKP-AWEZNQCLSA-N 2 2 281.400 0.260 20 0 CCADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1C[NH+](CC2CC2)C1 ZINC000949830365 614635904 /nfs/dbraw/zinc/63/59/04/614635904.db2.gz LAGAYIZMIOABKP-AWEZNQCLSA-N 2 2 281.400 0.260 20 0 CCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH+](C)[C@H](CO)C2)C1 ZINC000913558264 614648850 /nfs/dbraw/zinc/64/88/50/614648850.db2.gz LTWBDBLEIWIIKD-KGLIPLIRSA-N 2 2 283.416 0.243 20 0 CCADLP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH+](C)[C@H](CO)C2)C1 ZINC000913558264 614648852 /nfs/dbraw/zinc/64/88/52/614648852.db2.gz LTWBDBLEIWIIKD-KGLIPLIRSA-N 2 2 283.416 0.243 20 0 CCADLP CCC[NH+]1CCC[C@@H](C(=O)N2CC[N@H+](C)[C@H](CO)C2)C1 ZINC000913558264 614648855 /nfs/dbraw/zinc/64/88/55/614648855.db2.gz LTWBDBLEIWIIKD-KGLIPLIRSA-N 2 2 283.416 0.243 20 0 CCADLP CCC[NH+]1CCC[C@@H](C(=O)N2CC[N@@H+](C)[C@H](CO)C2)C1 ZINC000913558264 614648858 /nfs/dbraw/zinc/64/88/58/614648858.db2.gz LTWBDBLEIWIIKD-KGLIPLIRSA-N 2 2 283.416 0.243 20 0 CCADLP CC1(C)[C@H](C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C[C@@H]1[NH3+] ZINC000876745545 614655306 /nfs/dbraw/zinc/65/53/06/614655306.db2.gz DEIFOSZTTYUZBS-RYUDHWBXSA-N 2 2 283.416 0.587 20 0 CCADLP CC1(C)[C@H](C(=O)NCC[N@H+]2CCOC(C)(C)C2)C[C@@H]1[NH3+] ZINC000876745545 614655308 /nfs/dbraw/zinc/65/53/08/614655308.db2.gz DEIFOSZTTYUZBS-RYUDHWBXSA-N 2 2 283.416 0.587 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCO)CC1 ZINC000948637632 614677921 /nfs/dbraw/zinc/67/79/21/614677921.db2.gz JKDOPBKAXWXPBS-AWEZNQCLSA-N 2 2 283.416 0.387 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCO)CC1 ZINC000948637632 614677923 /nfs/dbraw/zinc/67/79/23/614677923.db2.gz JKDOPBKAXWXPBS-AWEZNQCLSA-N 2 2 283.416 0.387 20 0 CCADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)C1C[NH+](CC(C)C)C1 ZINC000949830605 614684504 /nfs/dbraw/zinc/68/45/04/614684504.db2.gz SFOQIUSYNGUDKT-CQSZACIVSA-N 2 2 283.416 0.506 20 0 CCADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1C[NH+](CC(C)C)C1 ZINC000949830605 614684507 /nfs/dbraw/zinc/68/45/07/614684507.db2.gz SFOQIUSYNGUDKT-CQSZACIVSA-N 2 2 283.416 0.506 20 0 CCADLP CCC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000972574133 614695393 /nfs/dbraw/zinc/69/53/93/614695393.db2.gz XABPNFNFUHEYNZ-OAHLLOKOSA-N 2 2 292.383 0.666 20 0 CCADLP CCC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000972574133 614695396 /nfs/dbraw/zinc/69/53/96/614695396.db2.gz XABPNFNFUHEYNZ-OAHLLOKOSA-N 2 2 292.383 0.666 20 0 CCADLP CC1(C)CNC(=O)[C@H]1[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000925172247 614697683 /nfs/dbraw/zinc/69/76/83/614697683.db2.gz RWIURAAFBGSGHL-GHMZBOCLSA-N 2 2 262.357 0.875 20 0 CCADLP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000925724198 614741421 /nfs/dbraw/zinc/74/14/21/614741421.db2.gz XBUHSCMELFOYOG-IHRRRGAJSA-N 3 2 296.459 0.822 20 0 CCADLP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000925724198 614741423 /nfs/dbraw/zinc/74/14/23/614741423.db2.gz XBUHSCMELFOYOG-IHRRRGAJSA-N 3 2 296.459 0.822 20 0 CCADLP CC1(C)OC[C@@H](C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)O1 ZINC000852708302 614821072 /nfs/dbraw/zinc/82/10/72/614821072.db2.gz WIYITYROPJHWQA-UONOGXRCSA-N 2 2 284.400 0.669 20 0 CCADLP CC1(C)OC[C@@H](C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)O1 ZINC000852708302 614821075 /nfs/dbraw/zinc/82/10/75/614821075.db2.gz WIYITYROPJHWQA-UONOGXRCSA-N 2 2 284.400 0.669 20 0 CCADLP CCCNC(=O)C[NH+]1CCC(N[C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925541608 614851024 /nfs/dbraw/zinc/85/10/24/614851024.db2.gz CLZJUEYLOONEMZ-CQSZACIVSA-N 2 2 296.459 0.707 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880585414 614851396 /nfs/dbraw/zinc/85/13/96/614851396.db2.gz RPRWTDUCLVQXER-ZIAGYGMSSA-N 2 2 286.416 0.162 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880585414 614851398 /nfs/dbraw/zinc/85/13/98/614851398.db2.gz RPRWTDUCLVQXER-ZIAGYGMSSA-N 2 2 286.416 0.162 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880585414 614851399 /nfs/dbraw/zinc/85/13/99/614851399.db2.gz RPRWTDUCLVQXER-ZIAGYGMSSA-N 2 2 286.416 0.162 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880585414 614851401 /nfs/dbraw/zinc/85/14/01/614851401.db2.gz RPRWTDUCLVQXER-ZIAGYGMSSA-N 2 2 286.416 0.162 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000846803633 614851462 /nfs/dbraw/zinc/85/14/62/614851462.db2.gz DSLSAEMFABMDGG-HUUCEWRRSA-N 2 2 297.443 0.776 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000846803633 614851466 /nfs/dbraw/zinc/85/14/66/614851466.db2.gz DSLSAEMFABMDGG-HUUCEWRRSA-N 2 2 297.443 0.776 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000846803633 614851468 /nfs/dbraw/zinc/85/14/68/614851468.db2.gz DSLSAEMFABMDGG-HUUCEWRRSA-N 2 2 297.443 0.776 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000846803633 614851470 /nfs/dbraw/zinc/85/14/70/614851470.db2.gz DSLSAEMFABMDGG-HUUCEWRRSA-N 2 2 297.443 0.776 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000884364256 614861599 /nfs/dbraw/zinc/86/15/99/614861599.db2.gz PFRYVEWASUUVCG-GMTAPVOTSA-N 2 2 262.357 0.688 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2ccn(C)n2)C1 ZINC000932129470 614865863 /nfs/dbraw/zinc/86/58/63/614865863.db2.gz BQXVZRBXCNWMDT-KGLIPLIRSA-N 2 2 280.416 0.912 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2ccn(C)n2)C1 ZINC000932129470 614865864 /nfs/dbraw/zinc/86/58/64/614865864.db2.gz BQXVZRBXCNWMDT-KGLIPLIRSA-N 2 2 280.416 0.912 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](c2ccn(C)n2)C1 ZINC000932129470 614865866 /nfs/dbraw/zinc/86/58/66/614865866.db2.gz BQXVZRBXCNWMDT-KGLIPLIRSA-N 2 2 280.416 0.912 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](c2ccn(C)n2)C1 ZINC000932129470 614865868 /nfs/dbraw/zinc/86/58/68/614865868.db2.gz BQXVZRBXCNWMDT-KGLIPLIRSA-N 2 2 280.416 0.912 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1CN1CCCC1=O ZINC000846803487 614866363 /nfs/dbraw/zinc/86/63/63/614866363.db2.gz CTPIAKXXRALFBU-GJZGRUSLSA-N 2 2 297.443 0.776 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1CN1CCCC1=O ZINC000846803487 614866365 /nfs/dbraw/zinc/86/63/65/614866365.db2.gz CTPIAKXXRALFBU-GJZGRUSLSA-N 2 2 297.443 0.776 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1CN1CCCC1=O ZINC000846803487 614866367 /nfs/dbraw/zinc/86/63/67/614866367.db2.gz CTPIAKXXRALFBU-GJZGRUSLSA-N 2 2 297.443 0.776 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1CN1CCCC1=O ZINC000846803487 614866368 /nfs/dbraw/zinc/86/63/68/614866368.db2.gz CTPIAKXXRALFBU-GJZGRUSLSA-N 2 2 297.443 0.776 20 0 CCADLP CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000971813916 614912441 /nfs/dbraw/zinc/91/24/41/614912441.db2.gz QTZPGFGGQOKROX-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000971813916 614912444 /nfs/dbraw/zinc/91/24/44/614912444.db2.gz QTZPGFGGQOKROX-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP CC1([NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC000903920951 614926430 /nfs/dbraw/zinc/92/64/30/614926430.db2.gz YRUWPIKUHUIDEA-GFCCVEGCSA-N 3 2 278.404 0.434 20 0 CCADLP CCCOC(=O)[C@H](C)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931486072 614931716 /nfs/dbraw/zinc/93/17/16/614931716.db2.gz UVKYQHFPZDSJTM-LBPRGKRZSA-N 2 2 272.389 0.717 20 0 CCADLP CC[NH+]1CC(N2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)C1 ZINC000941391763 615086575 /nfs/dbraw/zinc/08/65/75/615086575.db2.gz GWROTDXHVSQPMU-UHFFFAOYSA-N 2 2 291.399 0.191 20 0 CCADLP CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000969980531 615089089 /nfs/dbraw/zinc/08/90/89/615089089.db2.gz KVKKEOMWGBCPEV-VXGBXAGGSA-N 2 2 276.384 0.902 20 0 CCADLP CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CCO1 ZINC000979438887 615111341 /nfs/dbraw/zinc/11/13/41/615111341.db2.gz CVKLHECXVCTOAH-NWDGAFQWSA-N 2 2 294.399 0.913 20 0 CCADLP CC[NH2+][C@H](C)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC000979433236 615129901 /nfs/dbraw/zinc/12/99/01/615129901.db2.gz PFSLPKMKIYFFTE-MNOVXSKESA-N 2 2 266.345 0.178 20 0 CCADLP CC[NH2+][C@H](C)[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC000979310629 615131303 /nfs/dbraw/zinc/13/13/03/615131303.db2.gz QVEMITCUUSQCRH-DGCLKSJQSA-N 2 2 280.372 0.568 20 0 CCADLP CC[NH2+][C@H](C)[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC000979310629 615131305 /nfs/dbraw/zinc/13/13/05/615131305.db2.gz QVEMITCUUSQCRH-DGCLKSJQSA-N 2 2 280.372 0.568 20 0 CCADLP CC[N@@H+]1CCN(C(=O)/C=C(\C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000901197792 615147878 /nfs/dbraw/zinc/14/78/78/615147878.db2.gz DWXHUFWCEKRYMK-GOFCXVBSSA-N 2 2 295.427 0.818 20 0 CCADLP CC[N@H+]1CCN(C(=O)/C=C(\C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000901197792 615147879 /nfs/dbraw/zinc/14/78/79/615147879.db2.gz DWXHUFWCEKRYMK-GOFCXVBSSA-N 2 2 295.427 0.818 20 0 CCADLP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925493769 615160236 /nfs/dbraw/zinc/16/02/36/615160236.db2.gz ZCZAHWULEPNCGT-HUUCEWRRSA-N 3 2 282.476 0.990 20 0 CCADLP CCOC(=O)CCCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923461144 615172620 /nfs/dbraw/zinc/17/26/20/615172620.db2.gz ZKSPYHWTARWFPA-UHFFFAOYSA-N 2 2 257.378 0.215 20 0 CCADLP CCOC(=O)CCCC[N@@H+]1CCNCC[NH2+]CC1 ZINC000923461144 615172622 /nfs/dbraw/zinc/17/26/22/615172622.db2.gz ZKSPYHWTARWFPA-UHFFFAOYSA-N 2 2 257.378 0.215 20 0 CCADLP CCOC(=O)CCCC[N@H+]1CCNCC[NH2+]CC1 ZINC000923461144 615172624 /nfs/dbraw/zinc/17/26/24/615172624.db2.gz ZKSPYHWTARWFPA-UHFFFAOYSA-N 2 2 257.378 0.215 20 0 CCADLP CCOC(C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)OCC ZINC000852707785 615202905 /nfs/dbraw/zinc/20/29/05/615202905.db2.gz KVBXXIXNKFMZTE-AWEZNQCLSA-N 2 2 286.416 0.917 20 0 CCADLP CCOC(C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)OCC ZINC000852707785 615202907 /nfs/dbraw/zinc/20/29/07/615202907.db2.gz KVBXXIXNKFMZTE-AWEZNQCLSA-N 2 2 286.416 0.917 20 0 CCADLP CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCO2)C1 ZINC000852751100 615229034 /nfs/dbraw/zinc/22/90/34/615229034.db2.gz PBWJQDFIRZMLPW-HZSPNIEDSA-N 2 2 299.415 0.821 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC000882492166 615243041 /nfs/dbraw/zinc/24/30/41/615243041.db2.gz PUJDWYZJMBNIPS-GFCCVEGCSA-N 2 2 250.346 0.563 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC000882492166 615243042 /nfs/dbraw/zinc/24/30/42/615243042.db2.gz PUJDWYZJMBNIPS-GFCCVEGCSA-N 2 2 250.346 0.563 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000883068412 615250293 /nfs/dbraw/zinc/25/02/93/615250293.db2.gz STSIHZGOTPHMMZ-LLVKDONJSA-N 2 2 251.334 0.277 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000883068412 615250294 /nfs/dbraw/zinc/25/02/94/615250294.db2.gz STSIHZGOTPHMMZ-LLVKDONJSA-N 2 2 251.334 0.277 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@@H]([NH3+])CC2CC2)CC1 ZINC000884185163 615253470 /nfs/dbraw/zinc/25/34/70/615253470.db2.gz MLQVRSUNFMJHMA-ZDUSSCGKSA-N 2 2 269.389 0.295 20 0 CCADLP CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000968544348 615267016 /nfs/dbraw/zinc/26/70/16/615267016.db2.gz MDGAVIFVZBYNPO-WCQYABFASA-N 2 2 264.373 0.809 20 0 CCADLP CC[N@H+]1CC[C@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000968544348 615267017 /nfs/dbraw/zinc/26/70/17/615267017.db2.gz MDGAVIFVZBYNPO-WCQYABFASA-N 2 2 264.373 0.809 20 0 CCADLP CCOCCOCC[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000930613547 615271642 /nfs/dbraw/zinc/27/16/42/615271642.db2.gz IUBBHZLZXUSVCJ-UHFFFAOYSA-N 2 2 288.432 0.864 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[NH2+][C@H]1CC ZINC000863543357 615327630 /nfs/dbraw/zinc/32/76/30/615327630.db2.gz MZCVFZMWXSBOEB-IRCOFANPSA-N 2 2 255.362 0.010 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000863541044 615327804 /nfs/dbraw/zinc/32/78/04/615327804.db2.gz GIHRRYLKPUYJTB-IJLUTSLNSA-N 2 2 267.373 0.154 20 0 CCADLP CCON(C)C(=O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000846064998 615338085 /nfs/dbraw/zinc/33/80/85/615338085.db2.gz PMBVSKGCPIMXKG-VXGBXAGGSA-N 2 2 255.362 0.613 20 0 CCADLP CCON(C)C(=O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000846064998 615338088 /nfs/dbraw/zinc/33/80/88/615338088.db2.gz PMBVSKGCPIMXKG-VXGBXAGGSA-N 2 2 255.362 0.613 20 0 CCADLP CCON(CC)C(=O)C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000877651565 615350058 /nfs/dbraw/zinc/35/00/58/615350058.db2.gz YITWQDKMRZOXML-VXGBXAGGSA-N 2 2 257.378 0.859 20 0 CCADLP CCON(CC)C(=O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000877651565 615350060 /nfs/dbraw/zinc/35/00/60/615350060.db2.gz YITWQDKMRZOXML-VXGBXAGGSA-N 2 2 257.378 0.859 20 0 CCADLP CCN1C[C@@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)CC1=O ZINC000925684085 615367463 /nfs/dbraw/zinc/36/74/63/615367463.db2.gz ZNBCQEJTSHJMNO-RYUDHWBXSA-N 2 2 251.374 0.872 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1N[C@@H]1CC[NH2+][C@H]1CC ZINC000863543361 615388299 /nfs/dbraw/zinc/38/82/99/615388299.db2.gz MZCVFZMWXSBOEB-USZNOCQGSA-N 2 2 255.362 0.010 20 0 CCADLP CCO[C@@H](CNC(=O)CCc1[nH]cc[nH+]1)C[NH+](C)C ZINC000831723701 615405622 /nfs/dbraw/zinc/40/56/22/615405622.db2.gz JFFJDZHUIKGCNG-NSHDSACASA-N 2 2 268.361 0.425 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000928640090 615478886 /nfs/dbraw/zinc/47/88/86/615478886.db2.gz JUJPNTJHSBGCOK-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000928640090 615478888 /nfs/dbraw/zinc/47/88/88/615478888.db2.gz JUJPNTJHSBGCOK-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP CCO[C@H](CNCc1c[nH+]c(N(C)C)n1C)C[NH+](C)C ZINC000922754658 615484137 /nfs/dbraw/zinc/48/41/37/615484137.db2.gz QYUSXZBJNBYHOE-CYBMUJFWSA-N 2 2 283.420 0.542 20 0 CCADLP CCO[C@H](C[NH2+]Cc1cc[nH]c(=O)c1)C[NH+](C)C ZINC000922756672 615484165 /nfs/dbraw/zinc/48/41/65/615484165.db2.gz RVGVRKGMQVVIAW-GFCCVEGCSA-N 2 2 253.346 0.844 20 0 CCADLP CCO[C@H](CNc1nc(C)[nH+]c(N)n1)C[NH+](C)C ZINC000896110767 615484492 /nfs/dbraw/zinc/48/44/92/615484492.db2.gz BYNQVRLAAXTUEM-SECBINFHSA-N 2 2 254.338 0.141 20 0 CCADLP CCO[C@H](CNc1nc(N)nc(C)[nH+]1)C[NH+](C)C ZINC000896110767 615484493 /nfs/dbraw/zinc/48/44/93/615484493.db2.gz BYNQVRLAAXTUEM-SECBINFHSA-N 2 2 254.338 0.141 20 0 CCADLP CC[C@@H]1C(=O)NCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000933217599 615550073 /nfs/dbraw/zinc/55/00/73/615550073.db2.gz LWKNPCFSARVTTC-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP CC[C@@H]1C(=O)NCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000933217599 615550074 /nfs/dbraw/zinc/55/00/74/615550074.db2.gz LWKNPCFSARVTTC-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP CC[C@H](C)NC(=O)CN1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903455081 615674736 /nfs/dbraw/zinc/67/47/36/615674736.db2.gz PLOHQBAOXDXYEP-ILXRZTDVSA-N 2 2 296.459 0.374 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000900667637 615718364 /nfs/dbraw/zinc/71/83/64/615718364.db2.gz QJXIQTGJMCJGFR-MGPQQGTHSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000900667637 615718366 /nfs/dbraw/zinc/71/83/66/615718366.db2.gz QJXIQTGJMCJGFR-MGPQQGTHSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925678914 615727600 /nfs/dbraw/zinc/72/76/00/615727600.db2.gz ASRFWJBJOWXHPP-MNOVXSKESA-N 2 2 275.418 0.188 20 0 CCADLP CC[C@H](CO)[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000931650062 615733019 /nfs/dbraw/zinc/73/30/19/615733019.db2.gz FIVIMRAMGXLNMK-UONOGXRCSA-N 2 2 256.390 0.990 20 0 CCADLP CC[C@H](CO)[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000931650062 615733023 /nfs/dbraw/zinc/73/30/23/615733023.db2.gz FIVIMRAMGXLNMK-UONOGXRCSA-N 2 2 256.390 0.990 20 0 CCADLP CC[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C(=O)N1CCOCC1 ZINC000925540556 615823486 /nfs/dbraw/zinc/82/34/86/615823486.db2.gz HMPJQQQONXDMFY-GXYBRJDSSA-N 2 2 293.411 0.210 20 0 CCADLP CC[C@H]([NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1)[C@@H]1CCC[NH2+]1 ZINC000902504048 615823930 /nfs/dbraw/zinc/82/39/30/615823930.db2.gz ZVEZNOXAKWCVCG-AVGNSLFASA-N 2 2 291.399 0.881 20 0 CCADLP C[NH+](C)C1(CNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000922988195 615848933 /nfs/dbraw/zinc/84/89/33/615848933.db2.gz NELUURGSQZLICQ-BETUJISGSA-N 2 2 296.415 0.243 20 0 CCADLP C[NH+](C)C1(CNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000922988195 615848935 /nfs/dbraw/zinc/84/89/35/615848935.db2.gz NELUURGSQZLICQ-BETUJISGSA-N 2 2 296.415 0.243 20 0 CCADLP C[NH+](C)C1CCC(NC(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000868923339 615855172 /nfs/dbraw/zinc/85/51/72/615855172.db2.gz DBFRMCNENSVISG-ARJAWSKDSA-N 2 2 295.427 0.864 20 0 CCADLP Cn1cc([C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)CC[NH2+]2)cn1 ZINC000913455474 615869220 /nfs/dbraw/zinc/86/92/20/615869220.db2.gz AJAVBSBVQJMDNA-ZDUSSCGKSA-N 2 2 291.399 0.235 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)/C=C\[C@@H]1CCOC1 ZINC000855417566 615878590 /nfs/dbraw/zinc/87/85/90/615878590.db2.gz JVQGKAYVXMGYFF-GEXIGZQTSA-N 2 2 283.416 0.579 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)/C=C\[C@@H]1CCOC1 ZINC000855417566 615878593 /nfs/dbraw/zinc/87/85/93/615878593.db2.gz JVQGKAYVXMGYFF-GEXIGZQTSA-N 2 2 283.416 0.579 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)/C=C/c1cnccn1 ZINC000855417001 615878707 /nfs/dbraw/zinc/87/87/07/615878707.db2.gz TXKGVAGGDMEIIA-AATRIKPKSA-N 2 2 291.399 0.490 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)/C=C/c1cnccn1 ZINC000855417001 615878710 /nfs/dbraw/zinc/87/87/10/615878710.db2.gz TXKGVAGGDMEIIA-AATRIKPKSA-N 2 2 291.399 0.490 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]([NH3+])CC1CC1 ZINC000884401484 615879547 /nfs/dbraw/zinc/87/95/47/615879547.db2.gz REZNQSSDLAZCJR-CYBMUJFWSA-N 3 2 270.421 0.114 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]([NH3+])CC1CC1 ZINC000884401484 615879549 /nfs/dbraw/zinc/87/95/49/615879549.db2.gz REZNQSSDLAZCJR-CYBMUJFWSA-N 3 2 270.421 0.114 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cn2c(n1)CCC2 ZINC000855417144 615880173 /nfs/dbraw/zinc/88/01/73/615880173.db2.gz CUGSCCMXYIUYOI-UHFFFAOYSA-N 2 2 293.415 0.443 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cn2c(n1)CCC2 ZINC000855417144 615880174 /nfs/dbraw/zinc/88/01/74/615880174.db2.gz CUGSCCMXYIUYOI-UHFFFAOYSA-N 2 2 293.415 0.443 20 0 CCADLP C[NH+](C)CCC[C@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CCO1 ZINC000869313952 615888145 /nfs/dbraw/zinc/88/81/45/615888145.db2.gz MKLWDJFYJTWXLI-AAEUAGOBSA-N 2 2 296.371 0.012 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](C[C@H]2CC3(CCC3)CO2)CC1=O ZINC000878802260 615899312 /nfs/dbraw/zinc/89/93/12/615899312.db2.gz CXCCWFSHVOVXTK-CQSZACIVSA-N 2 2 295.427 0.651 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](C[C@H]2CC3(CCC3)CO2)CC1=O ZINC000878802260 615899313 /nfs/dbraw/zinc/89/93/13/615899313.db2.gz CXCCWFSHVOVXTK-CQSZACIVSA-N 2 2 295.427 0.651 20 0 CCADLP C[NH+](C)CC[C@H](N)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000870979764 615912864 /nfs/dbraw/zinc/91/28/64/615912864.db2.gz RIKPBDXAVZREJU-LSDHHAIUSA-N 2 2 290.411 0.568 20 0 CCADLP C[NH+](C)CC[C@H](N)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000870979764 615912865 /nfs/dbraw/zinc/91/28/65/615912865.db2.gz RIKPBDXAVZREJU-LSDHHAIUSA-N 2 2 290.411 0.568 20 0 CCADLP CC[C@H](C(=O)NCCC[NH2+]C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000911675775 615917868 /nfs/dbraw/zinc/91/78/68/615917868.db2.gz FRHPUEUYSYSEQV-QWHCGFSZSA-N 2 2 271.405 0.602 20 0 CCADLP CC[C@H](C(=O)NCCC[NH2+]C)[N@H+]1CCO[C@@H](CC)C1 ZINC000911675775 615917869 /nfs/dbraw/zinc/91/78/69/615917869.db2.gz FRHPUEUYSYSEQV-QWHCGFSZSA-N 2 2 271.405 0.602 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000877432673 615926849 /nfs/dbraw/zinc/92/68/49/615926849.db2.gz FHLUUIBZQVQTAY-MCIONIFRSA-N 2 2 283.416 0.731 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000877432673 615926851 /nfs/dbraw/zinc/92/68/51/615926851.db2.gz FHLUUIBZQVQTAY-MCIONIFRSA-N 2 2 283.416 0.731 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000877432392 615927024 /nfs/dbraw/zinc/92/70/24/615927024.db2.gz CWJFLKVFICDTBO-KGLIPLIRSA-N 2 2 283.416 0.603 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000877432392 615927025 /nfs/dbraw/zinc/92/70/25/615927025.db2.gz CWJFLKVFICDTBO-KGLIPLIRSA-N 2 2 283.416 0.603 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000877433580 615928023 /nfs/dbraw/zinc/92/80/23/615928023.db2.gz XKHROBUYROQKQJ-GXTWGEPZSA-N 2 2 269.389 0.213 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000877433580 615928024 /nfs/dbraw/zinc/92/80/24/615928024.db2.gz XKHROBUYROQKQJ-GXTWGEPZSA-N 2 2 269.389 0.213 20 0 CCADLP CN(C)C(=O)c1cccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)c1 ZINC000921931047 615951758 /nfs/dbraw/zinc/95/17/58/615951758.db2.gz ZWJBGTPMEAUMHA-MRXNPFEDSA-N 2 2 293.411 0.791 20 0 CCADLP Cn1c(Cl)ncc1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000848542656 615951787 /nfs/dbraw/zinc/95/17/87/615951787.db2.gz AGTZDTVULNIJHV-LLVKDONJSA-N 2 2 260.769 0.476 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@H]2CCC(=O)O2)C1 ZINC000878866531 615952402 /nfs/dbraw/zinc/95/24/02/615952402.db2.gz UPAMGHTVWLWTNC-DGCLKSJQSA-N 2 2 256.346 0.081 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@H]2CCC(=O)O2)C1 ZINC000878866531 615952404 /nfs/dbraw/zinc/95/24/04/615952404.db2.gz UPAMGHTVWLWTNC-DGCLKSJQSA-N 2 2 256.346 0.081 20 0 CCADLP C[NH+](C)Cc1csc(CNC(=O)C23CC[NH+](CC2)C3)n1 ZINC000927761697 615958135 /nfs/dbraw/zinc/95/81/35/615958135.db2.gz VBPYPRKSOZDLHC-UHFFFAOYSA-N 2 2 294.424 0.917 20 0 CCADLP CC[C@](C)(O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932621032 615960031 /nfs/dbraw/zinc/96/00/31/615960031.db2.gz FANDEEWYLMMACK-DOMZBBRYSA-N 2 2 283.416 0.432 20 0 CCADLP CC[C@](C)(O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932621032 615960033 /nfs/dbraw/zinc/96/00/33/615960033.db2.gz FANDEEWYLMMACK-DOMZBBRYSA-N 2 2 283.416 0.432 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000829703528 615977997 /nfs/dbraw/zinc/97/79/97/615977997.db2.gz GKMRFGDQJTYDSH-WDEREUQCSA-N 2 2 250.346 0.941 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CNc3cccc[nH+]3)C[C@H]21 ZINC000909145940 615996860 /nfs/dbraw/zinc/99/68/60/615996860.db2.gz KDDJHMFGHDKJTL-YABSGUDNSA-N 2 2 260.341 0.512 20 0 CCADLP CN(C)c1cc(N[C@H]2CC[N@H+](CC(C)(C)O)C2)nc[nH+]1 ZINC000894863069 616010651 /nfs/dbraw/zinc/01/06/51/616010651.db2.gz MYYPSBTTWPBLPH-NSHDSACASA-N 2 2 279.388 0.800 20 0 CCADLP CN(C)c1cc(N[C@H]2CC[N@@H+](CC(C)(C)O)C2)nc[nH+]1 ZINC000894863069 616010653 /nfs/dbraw/zinc/01/06/53/616010653.db2.gz MYYPSBTTWPBLPH-NSHDSACASA-N 2 2 279.388 0.800 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+](CCOC2CC2)CC1 ZINC000929657465 616075703 /nfs/dbraw/zinc/07/57/03/616075703.db2.gz MXSXMAVPUSOELF-UHFFFAOYSA-N 2 2 256.390 0.944 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+](CCOC2CC2)CC1 ZINC000929657465 616075704 /nfs/dbraw/zinc/07/57/04/616075704.db2.gz MXSXMAVPUSOELF-UHFFFAOYSA-N 2 2 256.390 0.944 20 0 CCADLP C[N@H+](CCF)[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000971811654 616078232 /nfs/dbraw/zinc/07/82/32/616078232.db2.gz SPLGTIBCMSZUNK-CHWSQXEVSA-N 2 2 294.374 0.948 20 0 CCADLP C[N@@H+](CCF)[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000971811654 616078233 /nfs/dbraw/zinc/07/82/33/616078233.db2.gz SPLGTIBCMSZUNK-CHWSQXEVSA-N 2 2 294.374 0.948 20 0 CCADLP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)Cc1c[nH+]c[nH]1 ZINC000913770400 616085388 /nfs/dbraw/zinc/08/53/88/616085388.db2.gz OAJUPFATYAOUKT-UHFFFAOYSA-N 2 2 292.383 0.523 20 0 CCADLP C[N@@H+](Cc1cscn1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923323271 616100349 /nfs/dbraw/zinc/10/03/49/616100349.db2.gz WWTUVVFDFHSAMA-NSHDSACASA-N 2 2 253.371 0.953 20 0 CCADLP C[N@H+](Cc1cscn1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923323271 616100350 /nfs/dbraw/zinc/10/03/50/616100350.db2.gz WWTUVVFDFHSAMA-NSHDSACASA-N 2 2 253.371 0.953 20 0 CCADLP C[NH+]1CCC([NH2+]CC[S@](=O)CC(F)(F)F)CC1 ZINC000850350168 616174394 /nfs/dbraw/zinc/17/43/94/616174394.db2.gz OZZJPWPSATUPJK-KRWDZBQOSA-N 2 2 272.336 0.981 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)COC1CC[NH+](C)CC1 ZINC000934912567 616174762 /nfs/dbraw/zinc/17/47/62/616174762.db2.gz NOZNESQXYMRIDU-UHFFFAOYSA-N 2 2 294.399 0.842 20 0 CCADLP C[NH+]1CCC2(CC1)CN(C(=O)Cc1c[nH+]c[nH]1)CCO2 ZINC000864065330 616176941 /nfs/dbraw/zinc/17/69/41/616176941.db2.gz LBTYLHYIQUFUKL-UHFFFAOYSA-N 2 2 278.356 0.275 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCF)C1 ZINC000898502767 616193840 /nfs/dbraw/zinc/19/38/40/616193840.db2.gz DKSYKJWEPHTWDD-VXGBXAGGSA-N 2 2 257.353 0.631 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCF)C1 ZINC000898502767 616193841 /nfs/dbraw/zinc/19/38/41/616193841.db2.gz DKSYKJWEPHTWDD-VXGBXAGGSA-N 2 2 257.353 0.631 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898502767 616193842 /nfs/dbraw/zinc/19/38/42/616193842.db2.gz DKSYKJWEPHTWDD-VXGBXAGGSA-N 2 2 257.353 0.631 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898502767 616193843 /nfs/dbraw/zinc/19/38/43/616193843.db2.gz DKSYKJWEPHTWDD-VXGBXAGGSA-N 2 2 257.353 0.631 20 0 CCADLP C[N@@H+]1CCC[C@@](O)(CC(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000900717784 616201112 /nfs/dbraw/zinc/20/11/12/616201112.db2.gz QNJXULCCRNQNEA-CQSZACIVSA-N 2 2 278.356 0.113 20 0 CCADLP C[N@H+]1CCC[C@@](O)(CC(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000900717784 616201113 /nfs/dbraw/zinc/20/11/13/616201113.db2.gz QNJXULCCRNQNEA-CQSZACIVSA-N 2 2 278.356 0.113 20 0 CCADLP CN1CCC[C@H]([N@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1=O ZINC000872148377 616206635 /nfs/dbraw/zinc/20/66/35/616206635.db2.gz DDIZSJYFXOCGOD-GUBZILKMSA-N 2 2 279.306 0.676 20 0 CCADLP CN1CCC[C@H]([N@@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1=O ZINC000872148377 616206636 /nfs/dbraw/zinc/20/66/36/616206636.db2.gz DDIZSJYFXOCGOD-GUBZILKMSA-N 2 2 279.306 0.676 20 0 CCADLP C[N@@H+]1CCC[C@](O)(CC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000907527373 616218766 /nfs/dbraw/zinc/21/87/66/616218766.db2.gz FISHOGSFYGQRFA-DOMZBBRYSA-N 2 2 292.383 0.161 20 0 CCADLP C[N@H+]1CCC[C@](O)(CC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000907527373 616218767 /nfs/dbraw/zinc/21/87/67/616218767.db2.gz FISHOGSFYGQRFA-DOMZBBRYSA-N 2 2 292.383 0.161 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC23CCOCC3)CC1 ZINC000800473874 616223663 /nfs/dbraw/zinc/22/36/63/616223663.db2.gz CLKIMTKAOSNVNX-CYBMUJFWSA-N 2 2 281.400 0.309 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925615838 616223727 /nfs/dbraw/zinc/22/37/27/616223727.db2.gz ISEGXGQSSUFHBQ-QWHCGFSZSA-N 3 2 282.432 0.256 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C[C@H]1CO ZINC000913547625 616227011 /nfs/dbraw/zinc/22/70/11/616227011.db2.gz SKHHRWYBGLVPDO-GJZGRUSLSA-N 2 2 295.427 0.528 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C[C@H]1CO ZINC000913547625 616227012 /nfs/dbraw/zinc/22/70/12/616227012.db2.gz SKHHRWYBGLVPDO-GJZGRUSLSA-N 2 2 295.427 0.528 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1CO ZINC000913547625 616227013 /nfs/dbraw/zinc/22/70/13/616227013.db2.gz SKHHRWYBGLVPDO-GJZGRUSLSA-N 2 2 295.427 0.528 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1CO ZINC000913547625 616227014 /nfs/dbraw/zinc/22/70/14/616227014.db2.gz SKHHRWYBGLVPDO-GJZGRUSLSA-N 2 2 295.427 0.528 20 0 CCADLP C[NH+]1CCN(C2CC[NH+](CCC[NH2+]C3CC3)CC2)CC1 ZINC000923416452 616239344 /nfs/dbraw/zinc/23/93/44/616239344.db2.gz WJUQTCFLARLAFZ-UHFFFAOYSA-N 3 2 280.460 0.840 20 0 CCADLP CN1CCOC[C@H]1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925717387 616250306 /nfs/dbraw/zinc/25/03/06/616250306.db2.gz JKYNWEBBCKDSOZ-OLZOCXBDSA-N 2 2 253.390 0.581 20 0 CCADLP COC(=O)/C(C)=C\C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000905532369 616304275 /nfs/dbraw/zinc/30/42/75/616304275.db2.gz QQLBOYIIPYASLN-XTOZHPGHSA-N 2 2 256.346 0.150 20 0 CCADLP COC(=O)/C(C)=C\C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000905532369 616304277 /nfs/dbraw/zinc/30/42/77/616304277.db2.gz QQLBOYIIPYASLN-XTOZHPGHSA-N 2 2 256.346 0.150 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cnn(CC3CCC3)c2)C1 ZINC000921998443 616350971 /nfs/dbraw/zinc/35/09/71/616350971.db2.gz JTVFBDAJNNKCOV-OAHLLOKOSA-N 2 2 278.400 0.839 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cnn(CC3CCC3)c2)C1 ZINC000921998443 616350975 /nfs/dbraw/zinc/35/09/75/616350975.db2.gz JTVFBDAJNNKCOV-OAHLLOKOSA-N 2 2 278.400 0.839 20 0 CCADLP C[N@@H+]1CC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC[C@H]21 ZINC000827264933 616436034 /nfs/dbraw/zinc/43/60/34/616436034.db2.gz DZBHNYPOHPOGFC-NWDGAFQWSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@H+]1CC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC[C@H]21 ZINC000827264933 616436036 /nfs/dbraw/zinc/43/60/36/616436036.db2.gz DZBHNYPOHPOGFC-NWDGAFQWSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@@H+]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@H]21 ZINC000827321108 616436340 /nfs/dbraw/zinc/43/63/40/616436340.db2.gz UJPXFIQLEJORAJ-QWHCGFSZSA-N 2 2 262.357 0.826 20 0 CCADLP C[N@H+]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@H]21 ZINC000827321108 616436344 /nfs/dbraw/zinc/43/63/44/616436344.db2.gz UJPXFIQLEJORAJ-QWHCGFSZSA-N 2 2 262.357 0.826 20 0 CCADLP COC(=O)C1CC([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000877723679 616457361 /nfs/dbraw/zinc/45/73/61/616457361.db2.gz ONEWUNVQDONHCS-UBHUBRDASA-N 2 2 282.384 0.781 20 0 CCADLP COC(=O)[C@@H]1[C@@H](C[NH2+]CC[N@@H+]2CC[C@H](C)C2)C1(F)F ZINC000894392897 616504918 /nfs/dbraw/zinc/50/49/18/616504918.db2.gz DXBTYALWIDWOPO-AXFHLTTASA-N 2 2 276.327 0.972 20 0 CCADLP COC(=O)[C@@H]1[C@@H](C[NH2+]CC[N@H+]2CC[C@H](C)C2)C1(F)F ZINC000894392897 616504919 /nfs/dbraw/zinc/50/49/19/616504919.db2.gz DXBTYALWIDWOPO-AXFHLTTASA-N 2 2 276.327 0.972 20 0 CCADLP COC(=O)[C@@H]1[C@@H](C[NH2+]C[C@@H]2CCC[N@@H+]2C)C1(F)F ZINC000894206760 616505608 /nfs/dbraw/zinc/50/56/08/616505608.db2.gz LKYIOJMOHSEGLC-AEJSXWLSSA-N 2 2 262.300 0.725 20 0 CCADLP COC(=O)[C@@H]1[C@@H](C[NH2+]C[C@@H]2CCC[N@H+]2C)C1(F)F ZINC000894206760 616505610 /nfs/dbraw/zinc/50/56/10/616505610.db2.gz LKYIOJMOHSEGLC-AEJSXWLSSA-N 2 2 262.300 0.725 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]([NH3+])CC2CC2)C[C@@H]1C ZINC000884331736 616555428 /nfs/dbraw/zinc/55/54/28/616555428.db2.gz WDVBIIXDALPVOG-WCQYABFASA-N 2 2 297.399 0.210 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]([NH3+])CC2CC2)C[C@@H]1C ZINC000884331736 616555431 /nfs/dbraw/zinc/55/54/31/616555431.db2.gz WDVBIIXDALPVOG-WCQYABFASA-N 2 2 297.399 0.210 20 0 CCADLP COC(=O)[C@H]1[C@H](C[NH2+]C(C)(C)C[NH+](C)C)C1(F)F ZINC000894969311 616738526 /nfs/dbraw/zinc/73/85/26/616738526.db2.gz KDAJJLRBISEKAN-DTWKUNHWSA-N 2 2 264.316 0.971 20 0 CCADLP COC(=O)[C@H]1[C@H](C[NH2+][C@@H](C)C[NH+](C)C)C1(F)F ZINC000894760357 616739371 /nfs/dbraw/zinc/73/93/71/616739371.db2.gz JEQHRYFGMCOYEQ-XHNCKOQMSA-N 2 2 250.289 0.580 20 0 CCADLP CNC(=O)OC[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000805826057 616774826 /nfs/dbraw/zinc/77/48/26/616774826.db2.gz OKUMEGWVASAZTN-KGLIPLIRSA-N 2 2 299.415 0.654 20 0 CCADLP CNC(=O)OC[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000805826057 616774830 /nfs/dbraw/zinc/77/48/30/616774830.db2.gz OKUMEGWVASAZTN-KGLIPLIRSA-N 2 2 299.415 0.654 20 0 CCADLP CO[C@H]1C[C@@H](C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000872145866 616862061 /nfs/dbraw/zinc/86/20/61/616862061.db2.gz XJJIMXVNHMTTOQ-AHLTXXRQSA-N 2 2 264.373 0.572 20 0 CCADLP CO[C@H]1C[C@@H](C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000872145866 616862063 /nfs/dbraw/zinc/86/20/63/616862063.db2.gz XJJIMXVNHMTTOQ-AHLTXXRQSA-N 2 2 264.373 0.572 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)cc1C ZINC000904371353 616904163 /nfs/dbraw/zinc/90/41/63/616904163.db2.gz NICRXQUSQBUXAC-ZDUSSCGKSA-N 2 2 278.352 0.860 20 0 CCADLP COC[C@@H](O)C[N@@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000923339596 616908133 /nfs/dbraw/zinc/90/81/33/616908133.db2.gz YLSKWNJSAWDGHC-OLZOCXBDSA-N 2 2 299.440 0.870 20 0 CCADLP COC[C@@H](O)C[N@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000923339596 616908135 /nfs/dbraw/zinc/90/81/35/616908135.db2.gz YLSKWNJSAWDGHC-OLZOCXBDSA-N 2 2 299.440 0.870 20 0 CCADLP COC[C@@H](O)C[N@H+](CC[NH3+])CCc1ccccc1 ZINC000923353522 616908138 /nfs/dbraw/zinc/90/81/38/616908138.db2.gz ZDHAATAJJFVRSL-AWEZNQCLSA-N 2 2 252.358 0.497 20 0 CCADLP COC[C@@H](O)C[N@@H+](CC[NH3+])CCc1ccccc1 ZINC000923353522 616908139 /nfs/dbraw/zinc/90/81/39/616908139.db2.gz ZDHAATAJJFVRSL-AWEZNQCLSA-N 2 2 252.358 0.497 20 0 CCADLP C[NH2+]CCC(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000844188092 616938680 /nfs/dbraw/zinc/93/86/80/616938680.db2.gz OHPKJBFCIAJACG-UHFFFAOYSA-N 2 2 263.332 0.784 20 0 CCADLP C[NH2+]CCC(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000844188092 616938685 /nfs/dbraw/zinc/93/86/85/616938685.db2.gz OHPKJBFCIAJACG-UHFFFAOYSA-N 2 2 263.332 0.784 20 0 CCADLP COCC[N@H+](C)CCNC(=[NH2+])Nc1ccc(CCO)cc1 ZINC000864455897 616956416 /nfs/dbraw/zinc/95/64/16/616956416.db2.gz ANYAGIWUXFUYJT-UHFFFAOYSA-N 2 2 294.399 0.736 20 0 CCADLP COCC[N@@H+](C)CCNC(=[NH2+])Nc1ccc(CCO)cc1 ZINC000864455897 616956419 /nfs/dbraw/zinc/95/64/19/616956419.db2.gz ANYAGIWUXFUYJT-UHFFFAOYSA-N 2 2 294.399 0.736 20 0 CCADLP COCC[N@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000849133512 616969235 /nfs/dbraw/zinc/96/92/35/616969235.db2.gz YCGBPXFFRAKPRL-NSHDSACASA-N 2 2 253.350 0.281 20 0 CCADLP COCC[N@@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000849133512 616969237 /nfs/dbraw/zinc/96/92/37/616969237.db2.gz YCGBPXFFRAKPRL-NSHDSACASA-N 2 2 253.350 0.281 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@](OC)(C(F)(F)F)C1 ZINC000883447548 616987496 /nfs/dbraw/zinc/98/74/96/616987496.db2.gz FPJYRUVVWFBFKN-NXEZZACHSA-N 2 2 270.295 0.610 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@](OC)(C(F)(F)F)C1 ZINC000883447548 616987502 /nfs/dbraw/zinc/98/75/02/616987502.db2.gz FPJYRUVVWFBFKN-NXEZZACHSA-N 2 2 270.295 0.610 20 0 CCADLP COCCN(CC1CC[NH+](C)CC1)C(=O)Cc1c[nH+]c[nH]1 ZINC000913427436 616989860 /nfs/dbraw/zinc/98/98/60/616989860.db2.gz NDPJWALRXVFMNF-UHFFFAOYSA-N 2 2 294.399 0.769 20 0 CCADLP CNS(=O)(=O)CCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926783395 617013319 /nfs/dbraw/zinc/01/33/19/617013319.db2.gz GZUJXEKTYMMJCQ-QWHCGFSZSA-N 2 2 289.445 0.532 20 0 CCADLP CNS(=O)(=O)CCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926783395 617013322 /nfs/dbraw/zinc/01/33/22/617013322.db2.gz GZUJXEKTYMMJCQ-QWHCGFSZSA-N 2 2 289.445 0.532 20 0 CCADLP CON(C)C(=O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000895040462 617037702 /nfs/dbraw/zinc/03/77/02/617037702.db2.gz CNTRLPCJWJDGAI-UHFFFAOYSA-N 2 2 255.362 0.470 20 0 CCADLP COC[C@@]1(c2nc(C3([NH3+])CC3)no2)CCCC[NH2+]1 ZINC000905330393 617046057 /nfs/dbraw/zinc/04/60/57/617046057.db2.gz IFEFTOCAURURTR-GFCCVEGCSA-N 2 2 252.318 0.633 20 0 CCADLP C[NH2+][C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000911737314 617047040 /nfs/dbraw/zinc/04/70/40/617047040.db2.gz VACCBTKEYZGHIO-GHMZBOCLSA-N 2 2 250.346 0.799 20 0 CCADLP C[NH2+][C@@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000911737314 617047044 /nfs/dbraw/zinc/04/70/44/617047044.db2.gz VACCBTKEYZGHIO-GHMZBOCLSA-N 2 2 250.346 0.799 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000884222004 617163789 /nfs/dbraw/zinc/16/37/89/617163789.db2.gz FYXUNGIPDAKRJC-LBPRGKRZSA-N 2 2 276.340 0.275 20 0 CCADLP C[C@@H](C(=O)NNc1cc[nH+]cc1)[NH+]1CCSCC1 ZINC000180459248 625358796 /nfs/dbraw/zinc/35/87/96/625358796.db2.gz DPMABJCOASPRFU-JTQLQIEISA-N 2 2 266.370 0.962 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000925549515 625403426 /nfs/dbraw/zinc/40/34/26/625403426.db2.gz MDYJHPGJXFTOQV-MCIONIFRSA-N 3 2 254.422 0.352 20 0 CCADLP CCOC(=O)[C@@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000312501936 625442437 /nfs/dbraw/zinc/44/24/37/625442437.db2.gz GTZFKBHAPRPQEG-ZIAGYGMSSA-N 2 2 284.400 0.718 20 0 CCADLP CCOC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000312501936 625442441 /nfs/dbraw/zinc/44/24/41/625442441.db2.gz GTZFKBHAPRPQEG-ZIAGYGMSSA-N 2 2 284.400 0.718 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001022977209 622875827 /nfs/dbraw/zinc/87/58/27/622875827.db2.gz ZMXNLUHNQGOOIF-RWMBFGLXSA-N 2 2 292.383 0.236 20 0 CCADLP Cc1cc(N)nc(N[C@H](C)[C@H](C)[NH+]2CCOCC2)[nH+]1 ZINC000892339438 622919093 /nfs/dbraw/zinc/91/90/93/622919093.db2.gz ICWSKUKVAJHZJH-MNOVXSKESA-N 2 2 265.361 0.888 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]CCn2cccn2)C1 ZINC001023161178 622935847 /nfs/dbraw/zinc/93/58/47/622935847.db2.gz RHKNOGGNKZNPIM-BETUJISGSA-N 2 2 288.355 0.017 20 0 CCADLP CC[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001024235996 623268282 /nfs/dbraw/zinc/26/82/82/623268282.db2.gz AMCUZVXNEOIOKB-LBPRGKRZSA-N 2 2 264.373 0.811 20 0 CCADLP CC(C)NC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000052043312 623365531 /nfs/dbraw/zinc/36/55/31/623365531.db2.gz BRAAKXNDRSVXGA-CYBMUJFWSA-N 2 2 269.437 0.781 20 0 CCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892566674 623544567 /nfs/dbraw/zinc/54/45/67/623544567.db2.gz LVMKNWQOEYPANM-XUXIUFHCSA-N 2 2 296.415 0.228 20 0 CCADLP CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001026927294 625662984 /nfs/dbraw/zinc/66/29/84/625662984.db2.gz LOPOEBZCHQUSHV-STQMWFEESA-N 2 2 276.384 0.904 20 0 CCADLP Cc1cc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)cnc1F ZINC000892715228 623805282 /nfs/dbraw/zinc/80/52/82/623805282.db2.gz WMGIGJYMADKTLP-UHFFFAOYSA-N 2 2 280.347 0.393 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](C/C=C\Cl)C[C@H]32)C1 ZINC001025719859 623875732 /nfs/dbraw/zinc/87/57/32/623875732.db2.gz OZLFMUPYSSXFHZ-BOGJRBHBSA-N 2 2 299.802 0.116 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](C/C=C\Cl)C[C@H]32)C1 ZINC001025719859 623875735 /nfs/dbraw/zinc/87/57/35/623875735.db2.gz OZLFMUPYSSXFHZ-BOGJRBHBSA-N 2 2 299.802 0.116 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C/C=C\Cl)C[C@H]32)C1 ZINC001025719859 623875736 /nfs/dbraw/zinc/87/57/36/623875736.db2.gz OZLFMUPYSSXFHZ-BOGJRBHBSA-N 2 2 299.802 0.116 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](C/C=C\Cl)C[C@H]32)C1 ZINC001025719859 623875737 /nfs/dbraw/zinc/87/57/37/623875737.db2.gz OZLFMUPYSSXFHZ-BOGJRBHBSA-N 2 2 299.802 0.116 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3nncs3)C2)C1 ZINC001019772547 623907053 /nfs/dbraw/zinc/90/70/53/623907053.db2.gz JMNHAHFIYYFQRA-QWRGUYRKSA-N 2 2 295.412 0.180 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3nncs3)C2)C1 ZINC001019772547 623907060 /nfs/dbraw/zinc/90/70/60/623907060.db2.gz JMNHAHFIYYFQRA-QWRGUYRKSA-N 2 2 295.412 0.180 20 0 CCADLP COC[C@H](C)[NH+]1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000119104664 623959498 /nfs/dbraw/zinc/95/94/98/623959498.db2.gz VGTDHKHBQCZIOC-HNNXBMFYSA-N 2 2 297.443 0.897 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnsn2)C1 ZINC001020026448 623971408 /nfs/dbraw/zinc/97/14/08/623971408.db2.gz TXCYXAWYJVCLHM-NHCYSSNCSA-N 2 2 295.412 0.369 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnsn2)C1 ZINC001020026448 623971419 /nfs/dbraw/zinc/97/14/19/623971419.db2.gz TXCYXAWYJVCLHM-NHCYSSNCSA-N 2 2 295.412 0.369 20 0 CCADLP C[C@@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1c[nH+]ccc1N ZINC000902453260 634389591 /nfs/dbraw/zinc/38/95/91/634389591.db2.gz OKAIVTQLRJTEMR-LLVKDONJSA-N 2 2 298.412 0.570 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccn2)C1 ZINC001020930240 624626340 /nfs/dbraw/zinc/62/63/40/624626340.db2.gz LPBNZCLKCDTBIQ-HDJSIYSDSA-N 2 2 299.378 0.795 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC001021126176 624662096 /nfs/dbraw/zinc/66/20/96/624662096.db2.gz HHKGHTQTDGUVQJ-MGPQQGTHSA-N 2 2 292.383 0.547 20 0 CCADLP Cc1ncoc1C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001021126513 624662376 /nfs/dbraw/zinc/66/23/76/624662376.db2.gz QKCFLIKDCWUZIM-HAQNSBGRSA-N 2 2 289.339 0.617 20 0 CCADLP Cc1nonc1C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001021126757 624663337 /nfs/dbraw/zinc/66/33/37/624663337.db2.gz WDZLTDRJJXQZQI-XYPYZODXSA-N 2 2 290.327 0.012 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+]C[C@H]2CCOC2)C1 ZINC000970342245 624678901 /nfs/dbraw/zinc/67/89/01/624678901.db2.gz YLJYLUBWDUOPES-VXGBXAGGSA-N 2 2 278.356 0.179 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+]Cc2nccs2)C1 ZINC000970858306 624772013 /nfs/dbraw/zinc/77/20/13/624772013.db2.gz ZPCZYKOWLLSZQT-LLVKDONJSA-N 2 2 291.380 0.730 20 0 CCADLP Cn1ccc(C[NH2+][C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC000970858022 624772931 /nfs/dbraw/zinc/77/29/31/624772931.db2.gz PDKSMPQYSVVFBU-CYBMUJFWSA-N 2 2 288.355 0.007 20 0 CCADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)N2CCc3ccccc32)C1 ZINC000050247821 624803555 /nfs/dbraw/zinc/80/35/55/624803555.db2.gz KPUIJAQKGSADBJ-GFCCVEGCSA-N 2 2 259.353 0.856 20 0 CCADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)N2CCc3ccccc32)C1 ZINC000050247821 624803560 /nfs/dbraw/zinc/80/35/60/624803560.db2.gz KPUIJAQKGSADBJ-GFCCVEGCSA-N 2 2 259.353 0.856 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]2C[N@H+](CCO)CC[C@@H]21 ZINC001021753734 624820256 /nfs/dbraw/zinc/82/02/56/624820256.db2.gz IFSXFWUEGAWDRB-KGLIPLIRSA-N 2 2 292.383 0.188 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]2C[N@@H+](CCO)CC[C@@H]21 ZINC001021753734 624820257 /nfs/dbraw/zinc/82/02/57/624820257.db2.gz IFSXFWUEGAWDRB-KGLIPLIRSA-N 2 2 292.383 0.188 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891350763 624822167 /nfs/dbraw/zinc/82/21/67/624822167.db2.gz UYPIRGABYGDTEM-UMVBOHGHSA-N 2 2 296.415 0.291 20 0 CCADLP C[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000971434550 624853856 /nfs/dbraw/zinc/85/38/56/624853856.db2.gz YTPOURDLEWSWFH-VXGBXAGGSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000971434550 624853857 /nfs/dbraw/zinc/85/38/57/624853857.db2.gz YTPOURDLEWSWFH-VXGBXAGGSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H]1CC[N@H+](CCNC(=O)NCCn2cc[nH+]c2)C1 ZINC000891558493 624885140 /nfs/dbraw/zinc/88/51/40/624885140.db2.gz LRSXJKWCUXMIFK-GFCCVEGCSA-N 2 2 265.361 0.524 20 0 CCADLP C[C@@H]1CC[N@@H+](CCNC(=O)NCCn2cc[nH+]c2)C1 ZINC000891558493 624885141 /nfs/dbraw/zinc/88/51/41/624885141.db2.gz LRSXJKWCUXMIFK-GFCCVEGCSA-N 2 2 265.361 0.524 20 0 CCADLP Cc1cccn2cc(CCNC(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)[nH+]c12 ZINC000891627787 624893689 /nfs/dbraw/zinc/89/36/89/624893689.db2.gz NAWYMDBUSVJVRZ-KBPBESRZSA-N 2 2 299.378 0.941 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000891895050 624981230 /nfs/dbraw/zinc/98/12/30/624981230.db2.gz ASQTWVBMPZPWIG-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000891895050 624981240 /nfs/dbraw/zinc/98/12/40/624981240.db2.gz ASQTWVBMPZPWIG-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP COC[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001009208179 625779542 /nfs/dbraw/zinc/77/95/42/625779542.db2.gz MNZPCJDYVVUGCH-QWHCGFSZSA-N 2 2 294.399 0.578 20 0 CCADLP COC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001009208179 625779551 /nfs/dbraw/zinc/77/95/51/625779551.db2.gz MNZPCJDYVVUGCH-QWHCGFSZSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000903444976 634569312 /nfs/dbraw/zinc/56/93/12/634569312.db2.gz HBOGWGZFSDCTFL-PMPSAXMXSA-N 3 2 280.460 0.554 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000903444976 634569317 /nfs/dbraw/zinc/56/93/17/634569317.db2.gz HBOGWGZFSDCTFL-PMPSAXMXSA-N 3 2 280.460 0.554 20 0 CCADLP O=C1CCCN1CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903484930 634579445 /nfs/dbraw/zinc/57/94/45/634579445.db2.gz GNTFLAYKWKJKPD-LBPRGKRZSA-N 2 2 251.374 0.873 20 0 CCADLP [NH3+]C[C@H]1CCCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903713401 634634031 /nfs/dbraw/zinc/63/40/31/634634031.db2.gz PNGQIYZDTANBIO-ZIAGYGMSSA-N 3 2 267.417 0.958 20 0 CCADLP [NH3+]C[C@H]1CCCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903713401 634634034 /nfs/dbraw/zinc/63/40/34/634634034.db2.gz PNGQIYZDTANBIO-ZIAGYGMSSA-N 3 2 267.417 0.958 20 0 CCADLP O=C(C[N@@H+]1CC[NH2+]CCC12CCOCC2)N1CCCCC1 ZINC000903813870 634656854 /nfs/dbraw/zinc/65/68/54/634656854.db2.gz ATISGHPJEKHUMP-UHFFFAOYSA-N 2 2 295.427 0.843 20 0 CCADLP O=C(C[N@H+]1CC[NH2+]CCC12CCOCC2)N1CCCCC1 ZINC000903813870 634656857 /nfs/dbraw/zinc/65/68/57/634656857.db2.gz ATISGHPJEKHUMP-UHFFFAOYSA-N 2 2 295.427 0.843 20 0 CCADLP [NH3+]CC[NH2+]C1(C(=O)N2CCOCC2)CCCCC1 ZINC000903829569 634660344 /nfs/dbraw/zinc/66/03/44/634660344.db2.gz HQINEVBEYCOBHN-UHFFFAOYSA-N 2 2 255.362 0.096 20 0 CCADLP NC(=O)CC1([NH2+]C[C@@H]2C[NH2+]CCO2)CCCCC1 ZINC000903874750 634675566 /nfs/dbraw/zinc/67/55/66/634675566.db2.gz ITUQMIZCQZKSNB-NSHDSACASA-N 2 2 255.362 0.143 20 0 CCADLP NC(=O)CCC1CC[NH+](C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903895894 634679965 /nfs/dbraw/zinc/67/99/65/634679965.db2.gz RMPYYWVZLFFKAM-JTQLQIEISA-N 2 2 263.332 0.946 20 0 CCADLP C[C@@H]1C(=O)N(C)CC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903909407 634684517 /nfs/dbraw/zinc/68/45/17/634684517.db2.gz UNSWWCZTNOTNCC-GFCCVEGCSA-N 2 2 273.380 0.995 20 0 CCADLP C[C@@H]1C(=O)N(C)CC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903909407 634684521 /nfs/dbraw/zinc/68/45/21/634684521.db2.gz UNSWWCZTNOTNCC-GFCCVEGCSA-N 2 2 273.380 0.995 20 0 CCADLP [NH3+][C@H](C[NH2+][C@@H]1C[C@H]2CCCCN2C1=O)CC(F)F ZINC000903929605 634688991 /nfs/dbraw/zinc/68/89/91/634688991.db2.gz HGGIERYZLPIXJD-IVZWLZJFSA-N 2 2 261.316 0.712 20 0 CCADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000903933338 634691712 /nfs/dbraw/zinc/69/17/12/634691712.db2.gz PARJAQDBUQIDDV-OPRDCNLKSA-N 2 2 261.316 0.569 20 0 CCADLP [NH3+][C@H](CC(F)F)C[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000903933338 634691717 /nfs/dbraw/zinc/69/17/17/634691717.db2.gz PARJAQDBUQIDDV-OPRDCNLKSA-N 2 2 261.316 0.569 20 0 CCADLP Cc1nc(CN2CC[NH+](C[C@@]3(C)CCC[NH2+]C3)CC2)no1 ZINC000904359271 634735040 /nfs/dbraw/zinc/73/50/40/634735040.db2.gz IFIFXDDWLSAEGL-HNNXBMFYSA-N 2 2 293.415 0.885 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)C1(O)CCC1 ZINC000905045603 634784223 /nfs/dbraw/zinc/78/42/23/634784223.db2.gz KQXGXTKWESPHCY-JHJVBQTASA-N 2 2 254.374 0.479 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)C1(O)CCC1 ZINC000905045603 634784229 /nfs/dbraw/zinc/78/42/29/634784229.db2.gz KQXGXTKWESPHCY-JHJVBQTASA-N 2 2 254.374 0.479 20 0 CCADLP C[C@H](O)C[N@@H+]1CCCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000982036936 631369981 /nfs/dbraw/zinc/36/99/81/631369981.db2.gz UFOXVNJLCJHGRN-LBPRGKRZSA-N 2 2 292.383 0.257 20 0 CCADLP C[C@H](O)C[N@H+]1CCCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000982036936 631369988 /nfs/dbraw/zinc/36/99/88/631369988.db2.gz UFOXVNJLCJHGRN-LBPRGKRZSA-N 2 2 292.383 0.257 20 0 CCADLP Cc1oncc1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001010382664 631370133 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C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cn(C)cn1 ZINC000924946528 631658221 /nfs/dbraw/zinc/65/82/21/631658221.db2.gz UNPGEJCISFVETN-GFCCVEGCSA-N 2 2 279.388 0.235 20 0 CCADLP Cc1ccnc(N)c1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000894469377 631775343 /nfs/dbraw/zinc/77/53/43/631775343.db2.gz NALWEXJJSJQVKH-ZDUSSCGKSA-N 2 2 250.346 0.128 20 0 CCADLP Cc1ccnc(N)c1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000894469377 631775347 /nfs/dbraw/zinc/77/53/47/631775347.db2.gz NALWEXJJSJQVKH-ZDUSSCGKSA-N 2 2 250.346 0.128 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)/C=C\C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000928436225 631837950 /nfs/dbraw/zinc/83/79/50/631837950.db2.gz OELUVDCBYQNMOF-JXLSXLBDSA-N 2 2 267.373 0.084 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)/C=C\C[NH+]2CCOCC2)CC[N@H+]1C ZINC000928436225 631837952 /nfs/dbraw/zinc/83/79/52/631837952.db2.gz OELUVDCBYQNMOF-JXLSXLBDSA-N 2 2 267.373 0.084 20 0 CCADLP C[C@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)C1N=NC(=O)N1C ZINC000895172499 632006144 /nfs/dbraw/zinc/00/61/44/632006144.db2.gz QFERLRJGPUIPFE-JTQLQIEISA-N 2 2 299.338 0.952 20 0 CCADLP C[C@@H](CC[NH2+]Cc1cnc(N(C)C)nc1)[NH+](C)C ZINC000895297351 632048763 /nfs/dbraw/zinc/04/87/63/632048763.db2.gz LENNCAHMAZIAFK-NSHDSACASA-N 2 2 251.378 0.972 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000896799366 632325653 /nfs/dbraw/zinc/32/56/53/632325653.db2.gz BGIWFLOFSOEITF-UHFFFAOYSA-N 2 2 278.356 0.445 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H](C[NH2+]C[C@H]2CCOC2)C1 ZINC000984859037 632330064 /nfs/dbraw/zinc/33/00/64/632330064.db2.gz RBVKYAKJERQNII-JHJVBQTASA-N 2 2 292.383 0.473 20 0 CCADLP C[N@H+](CCO)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000985565496 632560758 /nfs/dbraw/zinc/56/07/58/632560758.db2.gz DZQZGEWLJJAZFM-UHFFFAOYSA-N 2 2 280.372 0.188 20 0 CCADLP C[N@@H+](CCO)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000985565496 632560767 /nfs/dbraw/zinc/56/07/67/632560767.db2.gz DZQZGEWLJJAZFM-UHFFFAOYSA-N 2 2 280.372 0.188 20 0 CCADLP CC[N@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000985816814 632647725 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QMIVQZAMOFFBCQ-UHFFFAOYSA-N 2 2 250.346 0.827 20 0 CCADLP CCC[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000989787503 633354847 /nfs/dbraw/zinc/35/48/47/633354847.db2.gz QMIVQZAMOFFBCQ-UHFFFAOYSA-N 2 2 250.346 0.827 20 0 CCADLP CC[C@H](C[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1)OC ZINC000989787931 633355321 /nfs/dbraw/zinc/35/53/21/633355321.db2.gz ZMZZOORJLXHDGN-CQSZACIVSA-N 2 2 294.399 0.842 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC([NH+]2CCCC2)C1 ZINC000898603893 633627404 /nfs/dbraw/zinc/62/74/04/633627404.db2.gz RAKDDUWRBVLDPG-UHFFFAOYSA-N 2 2 262.357 0.659 20 0 CCADLP OCc1cc(-n2cc([C@H]3CCCC[NH2+]3)nn2)cc[nH+]1 ZINC000899717961 633862177 /nfs/dbraw/zinc/86/21/77/633862177.db2.gz FNUKGZKNEJGECQ-GFCCVEGCSA-N 2 2 259.313 0.969 20 0 CCADLP CS[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH+](C)C ZINC000901230847 634211283 /nfs/dbraw/zinc/21/12/83/634211283.db2.gz SFOCCMVFSQRYCN-MNOVXSKESA-N 2 2 268.386 0.456 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[N@H+](C[C@H]2CCOC2)C1 ZINC001009714773 650156395 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C[C@H]([NH3+])[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC000911885590 636431940 /nfs/dbraw/zinc/43/19/40/636431940.db2.gz XZVDRRRNLHUBSU-ZANVPECISA-N 2 2 274.324 0.751 20 0 CCADLP C[C@@H](CNC(=O)CCC1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000237533381 636448397 /nfs/dbraw/zinc/44/83/97/636448397.db2.gz JKGAXLHISNTANF-ZDUSSCGKSA-N 2 2 283.416 0.603 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)N1CCO[C@@H](C)C1 ZINC000226429623 636983625 /nfs/dbraw/zinc/98/36/25/636983625.db2.gz ZZCNCOUODTXSSO-QWHCGFSZSA-N 2 2 271.405 0.539 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)N1CCO[C@@H](C)C1 ZINC000226429623 636983629 /nfs/dbraw/zinc/98/36/29/636983629.db2.gz ZZCNCOUODTXSSO-QWHCGFSZSA-N 2 2 271.405 0.539 20 0 CCADLP Cc1nocc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000257658283 637174349 /nfs/dbraw/zinc/17/43/49/637174349.db2.gz BJROFFYYTRQGQH-ZDUSSCGKSA-N 2 2 250.346 0.463 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@]12CCC[C@H]1[N@H+](CCO)CC2 ZINC000992443671 637413201 /nfs/dbraw/zinc/41/32/01/637413201.db2.gz GPVDFHFOLOEYRS-UKRRQHHQSA-N 2 2 292.383 0.366 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@]12CCC[C@H]1[N@@H+](CCO)CC2 ZINC000992443671 637413207 /nfs/dbraw/zinc/41/32/07/637413207.db2.gz GPVDFHFOLOEYRS-UKRRQHHQSA-N 2 2 292.383 0.366 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCOC1=O ZINC000089269139 637521001 /nfs/dbraw/zinc/52/10/01/637521001.db2.gz XMBHJTMHQXXUPE-CYBMUJFWSA-N 2 2 269.389 0.260 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H]1CCOC1=O ZINC000089269139 637521006 /nfs/dbraw/zinc/52/10/06/637521006.db2.gz XMBHJTMHQXXUPE-CYBMUJFWSA-N 2 2 269.389 0.260 20 0 CCADLP C[N@@H+]1CC[C@H]1CNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000914169179 637547616 /nfs/dbraw/zinc/54/76/16/637547616.db2.gz XTZHNTGIZKDQSU-ZDUSSCGKSA-N 2 2 291.399 0.765 20 0 CCADLP C[N@H+]1CC[C@H]1CNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000914169179 637547626 /nfs/dbraw/zinc/54/76/26/637547626.db2.gz XTZHNTGIZKDQSU-ZDUSSCGKSA-N 2 2 291.399 0.765 20 0 CCADLP CC[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000994219245 637877444 /nfs/dbraw/zinc/87/74/44/637877444.db2.gz BEDLSTXWTBSGNX-DGCLKSJQSA-N 2 2 264.373 0.952 20 0 CCADLP CC[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000994219245 637877451 /nfs/dbraw/zinc/87/74/51/637877451.db2.gz BEDLSTXWTBSGNX-DGCLKSJQSA-N 2 2 264.373 0.952 20 0 CCADLP C[N@@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1CCOCC1(C)C ZINC000916619327 637910129 /nfs/dbraw/zinc/91/01/29/637910129.db2.gz LYNMZVVEGYCELK-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP C[N@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1CCOCC1(C)C ZINC000916619327 637910132 /nfs/dbraw/zinc/91/01/32/637910132.db2.gz LYNMZVVEGYCELK-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP C[NH+]1CC[C@@H]1CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000916619327 637910140 /nfs/dbraw/zinc/91/01/40/637910140.db2.gz LYNMZVVEGYCELK-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP C[NH+]1CC[C@@H]1CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000916619327 637910143 /nfs/dbraw/zinc/91/01/43/637910143.db2.gz LYNMZVVEGYCELK-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@H+](CCCO)[C@H]1C ZINC000994297630 637917245 /nfs/dbraw/zinc/91/72/45/637917245.db2.gz ICSTZDHNQYJLCT-QWHCGFSZSA-N 2 2 294.399 0.612 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@@H+](CCCO)[C@H]1C ZINC000994297630 637917253 /nfs/dbraw/zinc/91/72/53/637917253.db2.gz ICSTZDHNQYJLCT-QWHCGFSZSA-N 2 2 294.399 0.612 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CCCO ZINC000948089249 638207645 /nfs/dbraw/zinc/20/76/45/638207645.db2.gz AVEPGCLIWVGAIQ-OLZOCXBDSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CCCO ZINC000948089249 638207650 /nfs/dbraw/zinc/20/76/50/638207650.db2.gz AVEPGCLIWVGAIQ-OLZOCXBDSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]CCF ZINC000939643215 638388374 /nfs/dbraw/zinc/38/83/74/638388374.db2.gz QGCUTKKDABLYIQ-DGCLKSJQSA-N 2 2 282.363 0.759 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1C ZINC000944446231 638769260 /nfs/dbraw/zinc/76/92/60/638769260.db2.gz STIPUUTWCFPDSX-DGCLKSJQSA-N 2 2 294.399 0.470 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1C ZINC000944446231 638769261 /nfs/dbraw/zinc/76/92/61/638769261.db2.gz STIPUUTWCFPDSX-DGCLKSJQSA-N 2 2 294.399 0.470 20 0 CCADLP C[C@@H](CC(=O)N1C[C@@H]([NH2+]CCO)C(C)(C)C1)n1cc[nH+]c1 ZINC000996360183 638816716 /nfs/dbraw/zinc/81/67/16/638816716.db2.gz HYFTYHXVDJVHBR-QWHCGFSZSA-N 2 2 294.399 0.653 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000999047725 638957211 /nfs/dbraw/zinc/95/72/11/638957211.db2.gz WITRITANLSAEKG-VXGBXAGGSA-N 2 2 280.372 0.304 20 0 CCADLP CN(C(=O)c1cccc2[nH+]ccn21)C1CC([NH2+]CCO)C1 ZINC000999111501 638961777 /nfs/dbraw/zinc/96/17/77/638961777.db2.gz UEQQXINUCIKQST-UHFFFAOYSA-N 2 2 288.351 0.519 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000999423643 638980806 /nfs/dbraw/zinc/98/08/06/638980806.db2.gz UNYPFMTVWFDFAK-IJLUTSLNSA-N 2 2 278.356 0.086 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000999423643 638980809 /nfs/dbraw/zinc/98/08/09/638980809.db2.gz UNYPFMTVWFDFAK-IJLUTSLNSA-N 2 2 278.356 0.086 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC([NH2+]C[C@H](C)O)C1 ZINC000999754609 638997438 /nfs/dbraw/zinc/99/74/38/638997438.db2.gz UUMYPVAIRRLZHC-GCVQQVDUSA-N 2 2 280.372 0.220 20 0 CCADLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]C[C@H]2CCOC2)C1 ZINC000999917712 639018464 /nfs/dbraw/zinc/01/84/64/639018464.db2.gz WNXGERMZEVWYGQ-IYXRBSQSSA-N 2 2 292.383 0.499 20 0 CCADLP CC[NH2+][C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001000803439 639170177 /nfs/dbraw/zinc/17/01/77/639170177.db2.gz VNRPMXDQUOXPHF-NSHDSACASA-N 2 2 250.346 0.861 20 0 CCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC[NH+](CCO)CC1 ZINC001005533095 639916207 /nfs/dbraw/zinc/91/62/07/639916207.db2.gz NDQMCGLMNNCEPJ-CHWSQXEVSA-N 2 2 292.383 0.428 20 0 CCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC[NH+](CCO)CC1 ZINC001005533095 639916214 /nfs/dbraw/zinc/91/62/14/639916214.db2.gz NDQMCGLMNNCEPJ-CHWSQXEVSA-N 2 2 292.383 0.428 20 0 CCADLP C[C@H](CNC(C[NH3+])C[NH3+])COCc1ccccc1 ZINC000923357219 640101760 /nfs/dbraw/zinc/10/17/60/640101760.db2.gz UQXBESOHHRHVFT-GFCCVEGCSA-N 2 2 251.374 0.715 20 0 CCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)C1 ZINC000923370229 640105590 /nfs/dbraw/zinc/10/55/90/640105590.db2.gz SOBDCOICYAZRQD-VOAKCMCISA-N 2 2 291.399 0.712 20 0 CCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)C1 ZINC000923370229 640105597 /nfs/dbraw/zinc/10/55/97/640105597.db2.gz SOBDCOICYAZRQD-VOAKCMCISA-N 2 2 291.399 0.712 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)NC(C)(C)C[NH+](C)C)CCO1 ZINC000838116437 640234579 /nfs/dbraw/zinc/23/45/79/640234579.db2.gz UUERRDDDXXYMRQ-LBPRGKRZSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)NC(C)(C)C[NH+](C)C)CCO1 ZINC000838116437 640234583 /nfs/dbraw/zinc/23/45/83/640234583.db2.gz UUERRDDDXXYMRQ-LBPRGKRZSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@@H]1CCC[N@@H+]1CCNC(=O)CCc1c[nH+]cn1C ZINC000802753746 640702660 /nfs/dbraw/zinc/70/26/60/640702660.db2.gz PCOCQSFWCAXJDS-GFCCVEGCSA-N 2 2 264.373 0.953 20 0 CCADLP C[C@@H]1CCC[N@H+]1CCNC(=O)CCc1c[nH+]cn1C ZINC000802753746 640702663 /nfs/dbraw/zinc/70/26/63/640702663.db2.gz PCOCQSFWCAXJDS-GFCCVEGCSA-N 2 2 264.373 0.953 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCc1cnn(C)n1 ZINC000815639570 641118128 /nfs/dbraw/zinc/11/81/28/641118128.db2.gz BHVHBGMSHKTYMX-SMDDNHRTSA-N 2 2 263.389 0.820 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCc1cnn(C)n1 ZINC000815639570 641118134 /nfs/dbraw/zinc/11/81/34/641118134.db2.gz BHVHBGMSHKTYMX-SMDDNHRTSA-N 2 2 263.389 0.820 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001016002498 650673446 /nfs/dbraw/zinc/67/34/46/650673446.db2.gz VHEDVNYVHQCNQS-STQMWFEESA-N 2 2 292.383 0.190 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001016002498 650673447 /nfs/dbraw/zinc/67/34/47/650673447.db2.gz VHEDVNYVHQCNQS-STQMWFEESA-N 2 2 292.383 0.190 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C[NH+]1CCCC1 ZINC000822535706 641678702 /nfs/dbraw/zinc/67/87/02/641678702.db2.gz BHUUPGFJJIYCAE-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](C(C)C)C1 ZINC001016113092 650683787 /nfs/dbraw/zinc/68/37/87/650683787.db2.gz HRGLCFMLZYGWSO-NSHDSACASA-N 2 2 250.346 0.860 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](C(C)C)C1 ZINC001016113092 650683788 /nfs/dbraw/zinc/68/37/88/650683788.db2.gz HRGLCFMLZYGWSO-NSHDSACASA-N 2 2 250.346 0.860 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C[NH+]2CCCC2)[C@@H](C)CO1 ZINC000824432717 641826031 /nfs/dbraw/zinc/82/60/31/641826031.db2.gz ZSJTZICGKRLSRZ-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C[NH+]2CCCC2)[C@@H](C)CO1 ZINC000824432717 641826034 /nfs/dbraw/zinc/82/60/34/641826034.db2.gz ZSJTZICGKRLSRZ-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccns3)C2)C1 ZINC001016251570 650705874 /nfs/dbraw/zinc/70/58/74/650705874.db2.gz WBDJIOJRXNZYBK-NWDGAFQWSA-N 2 2 294.424 0.785 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccns3)C2)C1 ZINC001016251570 650705875 /nfs/dbraw/zinc/70/58/75/650705875.db2.gz WBDJIOJRXNZYBK-NWDGAFQWSA-N 2 2 294.424 0.785 20 0 CCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccns3)C2)C1 ZINC001016251570 650705878 /nfs/dbraw/zinc/70/58/78/650705878.db2.gz WBDJIOJRXNZYBK-NWDGAFQWSA-N 2 2 294.424 0.785 20 0 CCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccns3)C2)C1 ZINC001016251570 650705880 /nfs/dbraw/zinc/70/58/80/650705880.db2.gz WBDJIOJRXNZYBK-NWDGAFQWSA-N 2 2 294.424 0.785 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001016258999 650707328 /nfs/dbraw/zinc/70/73/28/650707328.db2.gz BQKRQOWWNUETHA-HNNXBMFYSA-N 2 2 299.378 0.977 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001016258999 650707332 /nfs/dbraw/zinc/70/73/32/650707332.db2.gz BQKRQOWWNUETHA-HNNXBMFYSA-N 2 2 299.378 0.977 20 0 CCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)[C@]1(F)CC[NH2+]C1 ZINC000827548968 642016319 /nfs/dbraw/zinc/01/63/19/642016319.db2.gz UFSYFYJUZTZTTC-AWEZNQCLSA-N 2 2 297.399 0.924 20 0 CCADLP O=C(NCC[N@H+]1CCc2sccc2C1)[C@]1(F)CC[NH2+]C1 ZINC000827548968 642016326 /nfs/dbraw/zinc/01/63/26/642016326.db2.gz UFSYFYJUZTZTTC-AWEZNQCLSA-N 2 2 297.399 0.924 20 0 CCADLP O=C(CC[NH+]1CCOCC1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000834600280 642612825 /nfs/dbraw/zinc/61/28/25/642612825.db2.gz QANOJDSAPPQUTL-KBPBESRZSA-N 2 2 299.390 0.353 20 0 CCADLP Cc1ccc(NC(=O)N[C@@H](C)C[NH3+])c(N(C)C)[nH+]1 ZINC000841154582 642805612 /nfs/dbraw/zinc/80/56/12/642805612.db2.gz JIEXZCOPKDVTJW-VIFPVBQESA-N 2 2 251.334 0.925 20 0 CCADLP Cc1cc(F)ccc1[C@H](O)C[NH2+]C[C@@H](O)C[NH+](C)C ZINC000843060830 642983989 /nfs/dbraw/zinc/98/39/89/642983989.db2.gz CNUBILRBCMZZTM-TZMCWYRMSA-N 2 2 270.348 0.680 20 0 CCADLP O=C1O[C@@H](C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)CN1C1CC1 ZINC000846876632 643464984 /nfs/dbraw/zinc/46/49/84/643464984.db2.gz WARASFHUBZAAQI-LBPRGKRZSA-N 2 2 291.355 0.515 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000847408808 643516176 /nfs/dbraw/zinc/51/61/76/643516176.db2.gz NQFBUYGBIAWTIY-MRVWCRGKSA-N 2 2 292.383 0.568 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000847408808 643516180 /nfs/dbraw/zinc/51/61/80/643516180.db2.gz NQFBUYGBIAWTIY-MRVWCRGKSA-N 2 2 292.383 0.568 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000847408808 643516183 /nfs/dbraw/zinc/51/61/83/643516183.db2.gz NQFBUYGBIAWTIY-MRVWCRGKSA-N 2 2 292.383 0.568 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000847408808 643516188 /nfs/dbraw/zinc/51/61/88/643516188.db2.gz NQFBUYGBIAWTIY-MRVWCRGKSA-N 2 2 292.383 0.568 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000848722594 643671626 /nfs/dbraw/zinc/67/16/26/643671626.db2.gz VPBAMBXGVYQERZ-WZRBSPASSA-N 2 2 283.372 0.326 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC2=C(CCC(=O)N2)C1)C1CC1 ZINC000852296606 643950404 /nfs/dbraw/zinc/95/04/04/643950404.db2.gz ZFHSXOGDGARASN-ZDUSSCGKSA-N 2 2 279.384 0.311 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC2=C(CCC(=O)N2)C1)C1CC1 ZINC000852296606 643950409 /nfs/dbraw/zinc/95/04/09/643950409.db2.gz ZFHSXOGDGARASN-ZDUSSCGKSA-N 2 2 279.384 0.311 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCC2=C(CCC(=O)N2)C1)C1CC1 ZINC000852296606 643950414 /nfs/dbraw/zinc/95/04/14/643950414.db2.gz ZFHSXOGDGARASN-ZDUSSCGKSA-N 2 2 279.384 0.311 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCC2=C(CCC(=O)N2)C1)C1CC1 ZINC000852296606 643950419 /nfs/dbraw/zinc/95/04/19/643950419.db2.gz ZFHSXOGDGARASN-ZDUSSCGKSA-N 2 2 279.384 0.311 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C[C@H]([NH3+])C2CC2)[C@H](C)CO1 ZINC000852847930 644022160 /nfs/dbraw/zinc/02/21/60/644022160.db2.gz YZDYBRJWZFVJOQ-WZRBSPASSA-N 2 2 269.389 0.339 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C[C@H]([NH3+])C2CC2)[C@H](C)CO1 ZINC000852847930 644022168 /nfs/dbraw/zinc/02/21/68/644022168.db2.gz YZDYBRJWZFVJOQ-WZRBSPASSA-N 2 2 269.389 0.339 20 0 CCADLP [NH3+]C[C@H]1CC(C(=O)NCC[NH+]2Cc3ccccc3C2)=NO1 ZINC000852862047 644028804 /nfs/dbraw/zinc/02/88/04/644028804.db2.gz RBWDXAUMDCCBNS-CYBMUJFWSA-N 2 2 288.351 0.222 20 0 CCADLP [NH3+]C[C@@H]1CC(C(=O)NCCCCNc2cccc[nH+]2)=NO1 ZINC000852864902 644031360 /nfs/dbraw/zinc/03/13/60/644031360.db2.gz LVRMFLMHCYCQKV-NSHDSACASA-N 2 2 291.355 0.494 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001018628974 650886337 /nfs/dbraw/zinc/88/63/37/650886337.db2.gz VQEMBQOIYMBYQV-CMPLNLGQSA-N 2 2 295.412 0.323 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001018628974 650886339 /nfs/dbraw/zinc/88/63/39/650886339.db2.gz VQEMBQOIYMBYQV-CMPLNLGQSA-N 2 2 295.412 0.323 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ncccn2)C1 ZINC001018627344 650886530 /nfs/dbraw/zinc/88/65/30/650886530.db2.gz FOPDGWLDOUGKEU-QWHCGFSZSA-N 2 2 289.383 0.261 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2ncccn2)C1 ZINC001018627344 650886533 /nfs/dbraw/zinc/88/65/33/650886533.db2.gz FOPDGWLDOUGKEU-QWHCGFSZSA-N 2 2 289.383 0.261 20 0 CCADLP CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2nc(C)no2)C1)[NH+](C)C ZINC001019033547 650932328 /nfs/dbraw/zinc/93/23/28/650932328.db2.gz RSESHWPWJVMIFD-NWDGAFQWSA-N 2 2 295.387 0.409 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001019056253 650934295 /nfs/dbraw/zinc/93/42/95/650934295.db2.gz QMIRHELRZAVQDG-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP Cc1cc(C)c(C(=O)N2CC[C@H]([NH2+]CCO)C2)c(C)[nH+]1 ZINC001019171837 650944027 /nfs/dbraw/zinc/94/40/27/650944027.db2.gz SEHYDBDCMFUBKU-ZDUSSCGKSA-N 2 2 277.368 0.803 20 0 CCADLP Cc1c(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)ccnc1F ZINC000862326794 644994387 /nfs/dbraw/zinc/99/43/87/644994387.db2.gz UMEPIDYKYUJIEJ-CYBMUJFWSA-N 2 2 253.321 0.685 20 0 CCADLP Cc1c(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)ccnc1F ZINC000862326794 644994390 /nfs/dbraw/zinc/99/43/90/644994390.db2.gz UMEPIDYKYUJIEJ-CYBMUJFWSA-N 2 2 253.321 0.685 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001019436307 650973096 /nfs/dbraw/zinc/97/30/96/650973096.db2.gz XLUFLPJIWQEENB-RYUDHWBXSA-N 2 2 278.356 0.179 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([NH2+]CCC2CC2)C1 ZINC001019435832 650973250 /nfs/dbraw/zinc/97/32/50/650973250.db2.gz NUIDAYRZIAUSDU-LBPRGKRZSA-N 2 2 262.357 0.943 20 0 CCADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000864885325 645301087 /nfs/dbraw/zinc/30/10/87/645301087.db2.gz QYVUHFOFWPVQBL-SZWGIHMLSA-N 2 2 293.411 0.618 20 0 CCADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000864885325 645301095 /nfs/dbraw/zinc/30/10/95/645301095.db2.gz QYVUHFOFWPVQBL-SZWGIHMLSA-N 2 2 293.411 0.618 20 0 CCADLP O=C([C@@H](O)c1c[nH+]c[nH]1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000865124021 645325863 /nfs/dbraw/zinc/32/58/63/645325863.db2.gz APBGEGFNDSQQRU-JQWIXIFHSA-N 2 2 264.329 0.140 20 0 CCADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000865605361 645389593 /nfs/dbraw/zinc/38/95/93/645389593.db2.gz SXLNYJDAOGCIQX-YLSAJCSVSA-N 2 2 293.411 0.475 20 0 CCADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000865605361 645389604 /nfs/dbraw/zinc/38/96/04/645389604.db2.gz SXLNYJDAOGCIQX-YLSAJCSVSA-N 2 2 293.411 0.475 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)/C=C/C[NH+]2CCOCC2)C[N@@H+]1C1CC1 ZINC000866457145 645531278 /nfs/dbraw/zinc/53/12/78/645531278.db2.gz JMRUITYYTSLJHV-GWSUEFFPSA-N 2 2 293.411 0.616 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)/C=C/C[NH+]2CCOCC2)C[N@H+]1C1CC1 ZINC000866457145 645531285 /nfs/dbraw/zinc/53/12/85/645531285.db2.gz JMRUITYYTSLJHV-GWSUEFFPSA-N 2 2 293.411 0.616 20 0 CCADLP Cc1cccnc1NC(=O)C[N@H+](C)CCOCC[NH3+] ZINC000866668663 645566874 /nfs/dbraw/zinc/56/68/74/645566874.db2.gz HLOSGTALBXZNIV-UHFFFAOYSA-N 2 2 266.345 0.236 20 0 CCADLP Cc1cccnc1NC(=O)C[N@@H+](C)CCOCC[NH3+] ZINC000866668663 645566880 /nfs/dbraw/zinc/56/68/80/645566880.db2.gz HLOSGTALBXZNIV-UHFFFAOYSA-N 2 2 266.345 0.236 20 0 CCADLP [NH3+]CCOCC[N@@H+]1CCOc2cccc(F)c2C1 ZINC000866727174 645583330 /nfs/dbraw/zinc/58/33/30/645583330.db2.gz GNPNJWHJFGHYGS-UHFFFAOYSA-N 2 2 254.305 0.995 20 0 CCADLP [NH3+]CCOCC[N@H+]1CCOc2cccc(F)c2C1 ZINC000866727174 645583343 /nfs/dbraw/zinc/58/33/43/645583343.db2.gz GNPNJWHJFGHYGS-UHFFFAOYSA-N 2 2 254.305 0.995 20 0 CCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H](C)[NH3+])C2)c1 ZINC000867997836 645700232 /nfs/dbraw/zinc/70/02/32/645700232.db2.gz KPKDQULQLSIPJT-UKRRQHHQSA-N 2 2 291.395 0.659 20 0 CCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H](C)[NH3+])C2)c1 ZINC000867997836 645700243 /nfs/dbraw/zinc/70/02/43/645700243.db2.gz KPKDQULQLSIPJT-UKRRQHHQSA-N 2 2 291.395 0.659 20 0 CCADLP [NH3+][C@H]1C[C@H](CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000870972633 646068111 /nfs/dbraw/zinc/06/81/11/646068111.db2.gz NYSPRFHYMREIEN-YRGRVCCFSA-N 2 2 281.400 0.483 20 0 CCADLP [NH3+][C@H]1C[C@H](CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000870972633 646068116 /nfs/dbraw/zinc/06/81/16/646068116.db2.gz NYSPRFHYMREIEN-YRGRVCCFSA-N 2 2 281.400 0.483 20 0 CCADLP NC(=O)C[C@@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)CCO1 ZINC000873213042 646359348 /nfs/dbraw/zinc/35/93/48/646359348.db2.gz VOANWSALIFMVAK-LLVKDONJSA-N 2 2 295.408 0.470 20 0 CCADLP NC(=O)C[C@@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)CCO1 ZINC000873213042 646359355 /nfs/dbraw/zinc/35/93/55/646359355.db2.gz VOANWSALIFMVAK-LLVKDONJSA-N 2 2 295.408 0.470 20 0 CCADLP NC(=O)C[C@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)CCO1 ZINC000873213043 646359771 /nfs/dbraw/zinc/35/97/71/646359771.db2.gz VOANWSALIFMVAK-NSHDSACASA-N 2 2 295.408 0.470 20 0 CCADLP NC(=O)C[C@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)CCO1 ZINC000873213043 646359774 /nfs/dbraw/zinc/35/97/74/646359774.db2.gz VOANWSALIFMVAK-NSHDSACASA-N 2 2 295.408 0.470 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](CC2(C[NH3+])CC2)C[C@@H]1C(F)(F)F ZINC000873229095 646362294 /nfs/dbraw/zinc/36/22/94/646362294.db2.gz XACVEKWCTJPVJE-BDAKNGLRSA-N 3 2 251.296 0.794 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](CC2(C[NH3+])CC2)C[C@@H]1C(F)(F)F ZINC000873229095 646362303 /nfs/dbraw/zinc/36/23/03/646362303.db2.gz XACVEKWCTJPVJE-BDAKNGLRSA-N 3 2 251.296 0.794 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCC[C@@H]1CCOC1=O ZINC000873283532 646371000 /nfs/dbraw/zinc/37/10/00/646371000.db2.gz VZSQTSCOJZHPSI-UPJWGTAASA-N 2 2 270.373 0.686 20 0 CCADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCc1c[nH+]cn1C ZINC000876305412 646595599 /nfs/dbraw/zinc/59/55/99/646595599.db2.gz HVAFXGMSXPWJGL-VXGBXAGGSA-N 2 2 295.387 0.017 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NCc1c[nH+]cn1C ZINC000876305412 646595602 /nfs/dbraw/zinc/59/56/02/646595602.db2.gz HVAFXGMSXPWJGL-VXGBXAGGSA-N 2 2 295.387 0.017 20 0 CCADLP [NH3+]CC1(NC(=O)/C=C\C[NH+]2CCOCC2)CCCC1 ZINC000876531117 646620398 /nfs/dbraw/zinc/62/03/98/646620398.db2.gz VOPLOHCGGKNNAT-ARJAWSKDSA-N 2 2 267.373 0.263 20 0 CCADLP O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CC[NH+](C2CC2)CC1 ZINC000876718954 646649258 /nfs/dbraw/zinc/64/92/58/646649258.db2.gz ZRSNOWGVVWEBEG-ZYHUDNBSSA-N 2 2 255.337 0.241 20 0 CCADLP O=C(NCCCCn1cc[nH+]c1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876731927 646653362 /nfs/dbraw/zinc/65/33/62/646653362.db2.gz ONBNKDMBLMRLLO-NEPJUHHUSA-N 2 2 268.336 0.727 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)/C=C\[C@H]2CCC[NH2+]C2)CCO1 ZINC000876745692 646655643 /nfs/dbraw/zinc/65/56/43/646655643.db2.gz GBWNTQVRKJQWBZ-UUSXEQNQSA-N 2 2 281.400 0.379 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)/C=C\[C@H]2CCC[NH2+]C2)CCO1 ZINC000876745692 646655648 /nfs/dbraw/zinc/65/56/48/646655648.db2.gz GBWNTQVRKJQWBZ-UUSXEQNQSA-N 2 2 281.400 0.379 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000876829768 646675925 /nfs/dbraw/zinc/67/59/25/646675925.db2.gz YHJQXXHKBLUMOD-XZKJTIFOSA-N 2 2 267.373 0.261 20 0 CCADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000877006244 646715079 /nfs/dbraw/zinc/71/50/79/646715079.db2.gz YVMNYVFZZAVKGK-KNVIWWDSSA-N 2 2 279.384 0.276 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)/C=C/C[NH+]2CCOCC2)C[NH2+]1 ZINC000877046415 646721923 /nfs/dbraw/zinc/72/19/23/646721923.db2.gz LOORGTVYINIQPD-XCUNLHGCSA-N 2 2 267.373 0.132 20 0 CCADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877386332 646808173 /nfs/dbraw/zinc/80/81/73/646808173.db2.gz QCXJVHCJFDWCOY-MWDOINLKSA-N 2 2 279.384 0.276 20 0 CCADLP O=C(N[C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000877386779 646808320 /nfs/dbraw/zinc/80/83/20/646808320.db2.gz WRYWFKRHPPCINX-FTUHBYGFSA-N 2 2 260.341 0.914 20 0 CCADLP O=C(N[C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000877386779 646808324 /nfs/dbraw/zinc/80/83/24/646808324.db2.gz WRYWFKRHPPCINX-FTUHBYGFSA-N 2 2 260.341 0.914 20 0 CCADLP O=C(N[C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1CCc2[nH+]ccn2C1 ZINC000877388145 646808977 /nfs/dbraw/zinc/80/89/77/646808977.db2.gz WIXIXWYCKJECFW-JMSVASOKSA-N 2 2 274.368 0.846 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000877432526 646814674 /nfs/dbraw/zinc/81/46/74/646814674.db2.gz FIUXXVIJQNCFMR-GXTWGEPZSA-N 2 2 271.405 0.731 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000877432526 646814672 /nfs/dbraw/zinc/81/46/72/646814672.db2.gz FIUXXVIJQNCFMR-GXTWGEPZSA-N 2 2 271.405 0.731 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000127050187 646898843 /nfs/dbraw/zinc/89/88/43/646898843.db2.gz OJONSUODFWCHGX-JSGCOSHPSA-N 2 2 294.399 0.807 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000127050187 646898848 /nfs/dbraw/zinc/89/88/48/646898848.db2.gz OJONSUODFWCHGX-JSGCOSHPSA-N 2 2 294.399 0.807 20 0 CCADLP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCc4ncnn43)CC[C@H]21 ZINC000879578850 647077976 /nfs/dbraw/zinc/07/79/76/647077976.db2.gz HOZVTPXMNBTLGH-JHJVBQTASA-N 2 2 261.373 0.791 20 0 CCADLP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CCc4ncnn43)CC[C@H]21 ZINC000879578850 647077982 /nfs/dbraw/zinc/07/79/82/647077982.db2.gz HOZVTPXMNBTLGH-JHJVBQTASA-N 2 2 261.373 0.791 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)CC[C@H]21 ZINC000879578850 647077986 /nfs/dbraw/zinc/07/79/86/647077986.db2.gz HOZVTPXMNBTLGH-JHJVBQTASA-N 2 2 261.373 0.791 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CCc4ncnn43)CC[C@H]21 ZINC000879578850 647077991 /nfs/dbraw/zinc/07/79/91/647077991.db2.gz HOZVTPXMNBTLGH-JHJVBQTASA-N 2 2 261.373 0.791 20 0 CCADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](CCCCCO)CC1 ZINC000880250690 647175668 /nfs/dbraw/zinc/17/56/68/647175668.db2.gz SQODOJDZXOOADF-UHFFFAOYSA-N 2 2 297.443 0.955 20 0 CCADLP C[C@@H]1NC(=O)N(CC[NH+]2CCC(C)([NH+]3CCC3)CC2)C1=O ZINC000880474935 647204463 /nfs/dbraw/zinc/20/44/63/647204463.db2.gz OJPMOQMKDUZJED-LBPRGKRZSA-N 2 2 294.399 0.487 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000880526782 647221480 /nfs/dbraw/zinc/22/14/80/647221480.db2.gz NYCHRRIJSCVZJL-AAEUAGOBSA-N 2 2 262.357 0.563 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000880526782 647221484 /nfs/dbraw/zinc/22/14/84/647221484.db2.gz NYCHRRIJSCVZJL-AAEUAGOBSA-N 2 2 262.357 0.563 20 0 CCADLP Cc1cc(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)no1 ZINC000882984443 647471910 /nfs/dbraw/zinc/47/19/10/647471910.db2.gz HWGLMRNORYRBEX-NSHDSACASA-N 2 2 252.362 0.709 20 0 CCADLP CC[NH+]1CCC([NH2+]CCN(C)CCOCCO)CC1 ZINC000883348379 647515463 /nfs/dbraw/zinc/51/54/63/647515463.db2.gz PIFFXBHOZFHXBE-UHFFFAOYSA-N 2 2 273.421 0.001 20 0 CCADLP Cc1nonc1C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000883429064 647524985 /nfs/dbraw/zinc/52/49/85/647524985.db2.gz KKOXEVCXSSMYRV-NSHDSACASA-N 2 2 266.345 0.565 20 0 CCADLP Cc1nonc1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000883429064 647524989 /nfs/dbraw/zinc/52/49/89/647524989.db2.gz KKOXEVCXSSMYRV-NSHDSACASA-N 2 2 266.345 0.565 20 0 CCADLP Cc1nonc1C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000883429063 647525148 /nfs/dbraw/zinc/52/51/48/647525148.db2.gz KKOXEVCXSSMYRV-LLVKDONJSA-N 2 2 266.345 0.565 20 0 CCADLP Cc1nonc1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000883429063 647525157 /nfs/dbraw/zinc/52/51/57/647525157.db2.gz KKOXEVCXSSMYRV-LLVKDONJSA-N 2 2 266.345 0.565 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCC[NH2+]C2CC2)c[nH+]1 ZINC000884024639 647615275 /nfs/dbraw/zinc/61/52/75/647615275.db2.gz XMKMXZDTJLEALY-UHFFFAOYSA-N 2 2 250.346 0.795 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)CN1CCOCC1 ZINC000133552409 647623496 /nfs/dbraw/zinc/62/34/96/647623496.db2.gz TWVJPKKEVDXHGD-HZSPNIEDSA-N 2 2 271.405 0.064 20 0 CCADLP C[C@H](CNC(=O)[C@H]([NH3+])CC1CC1)Cn1cc[nH+]c1 ZINC000884196678 647665600 /nfs/dbraw/zinc/66/56/00/647665600.db2.gz XRPPVHMFDGGDHO-ZYHUDNBSSA-N 2 2 250.346 0.763 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCC2=CC[NH2+]CC2)c[nH+]1 ZINC000884254397 647684388 /nfs/dbraw/zinc/68/43/88/647684388.db2.gz KPADYVVXFZSDFX-UHFFFAOYSA-N 2 2 262.357 0.963 20 0 CCADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CC(=O)N1CCC1 ZINC000887130393 648071976 /nfs/dbraw/zinc/07/19/76/648071976.db2.gz CFTCRNXORIXUGI-CYBMUJFWSA-N 2 2 274.368 0.824 20 0 CCADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC(=O)N1CCC1 ZINC000887130393 648071981 /nfs/dbraw/zinc/07/19/81/648071981.db2.gz CFTCRNXORIXUGI-CYBMUJFWSA-N 2 2 274.368 0.824 20 0 CCADLP C[C@H](C[NH2+][C@H](C)c1cnn(C)n1)N1CC[NH+](C)CC1 ZINC000924962147 648391772 /nfs/dbraw/zinc/39/17/72/648391772.db2.gz QIUVSGZGCBMJFZ-VXGBXAGGSA-N 2 2 266.393 0.102 20 0 CCADLP C[C@H]([NH3+])[C@@H]([NH2+]CCCNS(C)(=O)=O)c1ccccc1 ZINC000925517194 648440881 /nfs/dbraw/zinc/44/08/81/648440881.db2.gz KBCYMYSZBXAION-WCQYABFASA-N 2 2 285.413 0.604 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925551796 648442661 /nfs/dbraw/zinc/44/26/61/648442661.db2.gz YURWZEXUHJXHKN-HZSPNIEDSA-N 3 2 266.433 0.482 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000925629293 648449490 /nfs/dbraw/zinc/44/94/90/648449490.db2.gz IRATYAMDMKJTJB-QNWHQSFQSA-N 2 2 269.389 0.352 20 0 CCADLP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+][C@H]2C[NH2+]CCOC2)cn1 ZINC000925709747 648455484 /nfs/dbraw/zinc/45/54/84/648455484.db2.gz VNXWFMQEEAXZLB-SOUVJXGZSA-N 2 2 278.400 0.709 20 0 CCADLP O=C1O[C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)CC12CC[NH2+]CC2 ZINC000925849613 648466345 /nfs/dbraw/zinc/46/63/45/648466345.db2.gz QLZXCZBZKXEMAF-CHWSQXEVSA-N 3 2 293.411 0.546 20 0 CCADLP COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000926216792 648493911 /nfs/dbraw/zinc/49/39/11/648493911.db2.gz NCIXQULRRDANFQ-BYNSBNAKSA-N 2 2 284.400 0.491 20 0 CCADLP COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000926216792 648493912 /nfs/dbraw/zinc/49/39/12/648493912.db2.gz NCIXQULRRDANFQ-BYNSBNAKSA-N 2 2 284.400 0.491 20 0 CCADLP C[C@@H]1[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[N@@H+]1C ZINC000928431859 648631388 /nfs/dbraw/zinc/63/13/88/648631388.db2.gz HGQHDIHYOLJZHW-IJLUTSLNSA-N 2 2 262.357 0.654 20 0 CCADLP C[C@@H]1[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[N@H+]1C ZINC000928431859 648631391 /nfs/dbraw/zinc/63/13/91/648631391.db2.gz HGQHDIHYOLJZHW-IJLUTSLNSA-N 2 2 262.357 0.654 20 0 CCADLP C[C@H](O)[C@@H](O)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000929287337 648723643 /nfs/dbraw/zinc/72/36/43/648723643.db2.gz NHVWFISNQQBKPS-JSGCOSHPSA-N 2 2 256.390 0.678 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CCCO)[C@H](C)C1 ZINC000947979391 649358087 /nfs/dbraw/zinc/35/80/87/649358087.db2.gz GMYSLDSQQDFLPQ-DGCLKSJQSA-N 2 2 294.399 0.612 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CCCO)[C@H](C)C1 ZINC000947979391 649358091 /nfs/dbraw/zinc/35/80/91/649358091.db2.gz GMYSLDSQQDFLPQ-DGCLKSJQSA-N 2 2 294.399 0.612 20 0 CCADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000091299611 649702572 /nfs/dbraw/zinc/70/25/72/649702572.db2.gz SIUCQAUSLFKFEP-STQMWFEESA-N 2 2 294.399 0.793 20 0 CCADLP CN(C)c1[nH+]cc(CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1C ZINC000091666356 649708296 /nfs/dbraw/zinc/70/82/96/649708296.db2.gz UTEVWCUEHGGVLH-OCCSQVGLSA-N 2 2 293.415 0.439 20 0 CCADLP CN(C)c1[nH+]cc(CNC[C@H]2C[N@H+]3CCC[C@@H]3CO2)n1C ZINC000091666356 649708298 /nfs/dbraw/zinc/70/82/98/649708298.db2.gz UTEVWCUEHGGVLH-OCCSQVGLSA-N 2 2 293.415 0.439 20 0 CCADLP CCN(C)c1cc(C)[nH+]c(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC001164667184 719367992 /nfs/dbraw/zinc/36/79/92/719367992.db2.gz JJGZWBTVOBDOIG-CHWSQXEVSA-N 2 2 291.399 0.760 20 0 CCADLP CCN(C)c1cc(C)[nH+]c(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)n1 ZINC001164667184 719367995 /nfs/dbraw/zinc/36/79/95/719367995.db2.gz JJGZWBTVOBDOIG-CHWSQXEVSA-N 2 2 291.399 0.760 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]Cc1ncccc1C ZINC001149130780 790389403 /nfs/dbraw/zinc/38/94/03/790389403.db2.gz RBQSWANLKXAKPV-UHFFFAOYSA-N 2 2 287.367 0.870 20 0 CCADLP COCCC[NH+]1CCN(Cc2c[nH+]c(C)n2C)CC1 ZINC001206793779 790448074 /nfs/dbraw/zinc/44/80/74/790448074.db2.gz CXJKVKJMKMJNTQ-UHFFFAOYSA-N 2 2 266.389 0.883 20 0 CCADLP COC[C@H](C)[NH+]1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000076618056 790566469 /nfs/dbraw/zinc/56/64/69/790566469.db2.gz AQUVTDZIEYGLFU-ZDUSSCGKSA-N 2 2 280.372 0.452 20 0 CCADLP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(N)=O ZINC000705761369 790643085 /nfs/dbraw/zinc/64/30/85/790643085.db2.gz UKKBCPPINCGKIV-HOCLYGCPSA-N 2 2 291.395 0.477 20 0 CCADLP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(N)=O ZINC000705761369 790643095 /nfs/dbraw/zinc/64/30/95/790643095.db2.gz UKKBCPPINCGKIV-HOCLYGCPSA-N 2 2 291.395 0.477 20 0 CCADLP Cc1c(C[N@H+](C)CCN2CC[NH+](C)CC2)cnn1C ZINC001204573688 791286642 /nfs/dbraw/zinc/28/66/42/791286642.db2.gz QDAUJJCBZHBJAZ-UHFFFAOYSA-N 2 2 265.405 0.408 20 0 CCADLP Cc1c(C[N@@H+](C)CCN2CC[NH+](C)CC2)cnn1C ZINC001204573688 791286645 /nfs/dbraw/zinc/28/66/45/791286645.db2.gz QDAUJJCBZHBJAZ-UHFFFAOYSA-N 2 2 265.405 0.408 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]C[C@H]1CCCCO1 ZINC001167350508 790948632 /nfs/dbraw/zinc/94/86/32/790948632.db2.gz YECXINLGRQDZQI-CYBMUJFWSA-N 2 2 280.372 0.617 20 0 CCADLP CC[NH2+][C@H]1C[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001266607866 791018120 /nfs/dbraw/zinc/01/81/20/791018120.db2.gz MXTVZPXQAMCXQZ-XYPYZODXSA-N 2 2 250.346 0.609 20 0 CCADLP CO[C@H](C)C[NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001167428739 791064091 /nfs/dbraw/zinc/06/40/91/791064091.db2.gz MVNVEJYGUJADTL-QWHCGFSZSA-N 2 2 282.388 0.965 20 0 CCADLP C[NH+](C)CCCN1CC[NH+](Cc2[nH]nc3c2CCC3)CC1 ZINC001232429721 805936676 /nfs/dbraw/zinc/93/66/76/805936676.db2.gz ZSOSXCOPROPLKP-UHFFFAOYSA-N 2 2 291.443 0.968 20 0 CCADLP CCN(C)c1cc(C)[nH+]c(N2C[C@@H]3COC[C@H](C2)[N@@H+]3C)n1 ZINC001277738540 805999846 /nfs/dbraw/zinc/99/98/46/805999846.db2.gz QANCFLRJJHAHER-BETUJISGSA-N 2 2 291.399 0.760 20 0 CCADLP CCN(C)c1cc(C)[nH+]c(N2C[C@@H]3COC[C@H](C2)[N@H+]3C)n1 ZINC001277738540 805999855 /nfs/dbraw/zinc/99/98/55/805999855.db2.gz QANCFLRJJHAHER-BETUJISGSA-N 2 2 291.399 0.760 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001266714819 791173226 /nfs/dbraw/zinc/17/32/26/791173226.db2.gz SJLOPYQABMWVLJ-GARJFASQSA-N 2 2 266.345 0.224 20 0 CCADLP Nc1cccc(CN2CC[NH+](C3CCOCC3)CC2)[nH+]1 ZINC001233371363 806050445 /nfs/dbraw/zinc/05/04/45/806050445.db2.gz MVCMMAUKAIXQKF-UHFFFAOYSA-N 2 2 276.384 0.960 20 0 CCADLP CN(CC[NH2+]C[C@H]1CC(C)(C)CO1)C(=O)Cc1c[nH+]c[nH]1 ZINC001266847177 791284369 /nfs/dbraw/zinc/28/43/69/791284369.db2.gz XKRDVSPHHVFCOT-CYBMUJFWSA-N 2 2 294.399 0.815 20 0 CCADLP Nc1cc[nH+]c(CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000891818935 791333192 /nfs/dbraw/zinc/33/31/92/791333192.db2.gz NOCDTAFYBNZSGF-LLVKDONJSA-N 2 2 286.339 0.675 20 0 CCADLP Nc1cc[nH+]c(CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000891818936 791333880 /nfs/dbraw/zinc/33/38/80/791333880.db2.gz NOCDTAFYBNZSGF-NSHDSACASA-N 2 2 286.339 0.675 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CCF ZINC001266951046 791386134 /nfs/dbraw/zinc/38/61/34/791386134.db2.gz ZENLOGSPHXHNDS-MNOVXSKESA-N 2 2 268.336 0.509 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]C[C@@H]1CCOC1 ZINC001266995367 791429410 /nfs/dbraw/zinc/42/94/10/791429410.db2.gz GUGUEUYQALKREA-RYUDHWBXSA-N 2 2 266.345 0.014 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CC[C@@H]1OC ZINC000724190595 791449670 /nfs/dbraw/zinc/44/96/70/791449670.db2.gz YUCMIHFDEUGMKW-XQQFMLRXSA-N 2 2 260.378 0.035 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CC[C@@H]1OC ZINC000724190595 791449675 /nfs/dbraw/zinc/44/96/75/791449675.db2.gz YUCMIHFDEUGMKW-XQQFMLRXSA-N 2 2 260.378 0.035 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CC[C@@H]1OC ZINC000724190595 791449679 /nfs/dbraw/zinc/44/96/79/791449679.db2.gz YUCMIHFDEUGMKW-XQQFMLRXSA-N 2 2 260.378 0.035 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CC[C@@H]1OC ZINC000724190595 791449682 /nfs/dbraw/zinc/44/96/82/791449682.db2.gz YUCMIHFDEUGMKW-XQQFMLRXSA-N 2 2 260.378 0.035 20 0 CCADLP COCCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001267026402 791460282 /nfs/dbraw/zinc/46/02/82/791460282.db2.gz FTCSWLWVUZUOGB-LBPRGKRZSA-N 2 2 266.345 0.110 20 0 CCADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]1C[NH2+]CCO ZINC001277883757 806299439 /nfs/dbraw/zinc/29/94/39/806299439.db2.gz ORNOPFCTNCAQNB-OLZOCXBDSA-N 2 2 292.383 0.018 20 0 CCADLP COCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001235141869 806378929 /nfs/dbraw/zinc/37/89/29/806378929.db2.gz NGWXVNSFLXOSRW-CQSZACIVSA-N 2 2 294.399 0.912 20 0 CCADLP COCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001235141869 806378949 /nfs/dbraw/zinc/37/89/49/806378949.db2.gz NGWXVNSFLXOSRW-CQSZACIVSA-N 2 2 294.399 0.912 20 0 CCADLP COCCC[N@H+]1CC[C@@H]1CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001235141869 806378953 /nfs/dbraw/zinc/37/89/53/806378953.db2.gz NGWXVNSFLXOSRW-CQSZACIVSA-N 2 2 294.399 0.912 20 0 CCADLP c1ccc(N2CC[NH2+]CC2)c(C[N@@H+]2C[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC001235261668 806396372 /nfs/dbraw/zinc/39/63/72/806396372.db2.gz PKSUIKPOJVGFPL-DOTOQJQBSA-N 3 2 286.423 0.890 20 0 CCADLP c1ccc(N2CC[NH2+]CC2)c(C[N@H+]2C[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC001235261668 806396374 /nfs/dbraw/zinc/39/63/74/806396374.db2.gz PKSUIKPOJVGFPL-DOTOQJQBSA-N 3 2 286.423 0.890 20 0 CCADLP COC(=O)CC1CC[NH+](C[C@@H]2C[NH2+]C(C)(C)O2)CC1 ZINC001235433681 806422114 /nfs/dbraw/zinc/42/21/14/806422114.db2.gz XHDXWGRHGIPRIZ-LBPRGKRZSA-N 2 2 270.373 0.986 20 0 CCADLP [NH3+]CCN1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC001235522115 806445104 /nfs/dbraw/zinc/44/51/04/806445104.db2.gz RKQHTQJSZIPELC-CYBMUJFWSA-N 2 2 264.373 0.700 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1CC[C@]2(CC(=O)N(c3cnn(C)c3)C2)C1 ZINC001235583966 806463778 /nfs/dbraw/zinc/46/37/78/806463778.db2.gz NRYLFOBPWVSBHZ-FZMZJTMJSA-N 2 2 277.372 0.196 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1CC[C@]2(CC(=O)N(c3cnn(C)c3)C2)C1 ZINC001235583966 806463781 /nfs/dbraw/zinc/46/37/81/806463781.db2.gz NRYLFOBPWVSBHZ-FZMZJTMJSA-N 2 2 277.372 0.196 20 0 CCADLP CCOC[C@@H]1C(=O)N(CC)CC12CC[NH+](C[C@@H](C)[NH3+])CC2 ZINC001235632122 806478386 /nfs/dbraw/zinc/47/83/86/806478386.db2.gz JDCFBYLKMCHVNB-ZIAGYGMSSA-N 2 2 297.443 0.931 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@]2(CCN(c3cncnc3)C2=O)C1 ZINC001235661666 806487621 /nfs/dbraw/zinc/48/76/21/806487621.db2.gz VAAQISNKIONAEG-DOMZBBRYSA-N 2 2 289.383 0.643 20 0 CCADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@]2(CCN(c3cncnc3)C2=O)C1 ZINC001235661666 806487623 /nfs/dbraw/zinc/48/76/23/806487623.db2.gz VAAQISNKIONAEG-DOMZBBRYSA-N 2 2 289.383 0.643 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([NH3+])C[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001235769934 806502364 /nfs/dbraw/zinc/50/23/64/806502364.db2.gz IHEMOTOAZBAIGA-UPJWGTAASA-N 3 2 269.389 0.198 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([NH3+])C[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001235769934 806502367 /nfs/dbraw/zinc/50/23/67/806502367.db2.gz IHEMOTOAZBAIGA-UPJWGTAASA-N 3 2 269.389 0.198 20 0 CCADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1CN1CC[C@@H](F)[C@@H]([NH3+])C1 ZINC001235906335 806514633 /nfs/dbraw/zinc/51/46/33/806514633.db2.gz OPMMDOPYNDSEMJ-DBIOUOCHSA-N 2 2 265.323 0.848 20 0 CCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235982707 806523403 /nfs/dbraw/zinc/52/34/03/806523403.db2.gz WSAUXBSFKQFKDO-QPUJVOFHSA-N 2 2 250.302 0.119 20 0 CCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235982707 806523410 /nfs/dbraw/zinc/52/34/10/806523410.db2.gz WSAUXBSFKQFKDO-QPUJVOFHSA-N 2 2 250.302 0.119 20 0 CCADLP CCOC(=O)[C@]12C[N@H+](Cc3ccncn3)C[C@H]1C[NH2+]CC2 ZINC001236037989 806532856 /nfs/dbraw/zinc/53/28/56/806532856.db2.gz FVXBKKHHDBGNHX-IUODEOHRSA-N 2 2 290.367 0.451 20 0 CCADLP CCOC(=O)[C@]12C[N@@H+](Cc3ccncn3)C[C@H]1C[NH2+]CC2 ZINC001236037989 806532861 /nfs/dbraw/zinc/53/28/61/806532861.db2.gz FVXBKKHHDBGNHX-IUODEOHRSA-N 2 2 290.367 0.451 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC(C(N)=S)CC2)O1 ZINC001236182924 806546135 /nfs/dbraw/zinc/54/61/35/806546135.db2.gz SLEQHXIZXYXXLD-JTQLQIEISA-N 2 2 257.403 0.709 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H](NC[C@@H]2C[C@@H](F)C[NH2+]2)C[NH2+]1 ZINC001246114391 807156350 /nfs/dbraw/zinc/15/63/50/807156350.db2.gz VRYZACZDZDXELZ-KXNHARMFSA-N 2 2 287.379 0.348 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001278036270 806623533 /nfs/dbraw/zinc/62/35/33/806623533.db2.gz YUPKAWCXYOKNAV-NEPJUHHUSA-N 2 2 268.361 0.355 20 0 CCADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2CCN1CCCC1 ZINC001278059814 806642700 /nfs/dbraw/zinc/64/27/00/806642700.db2.gz KFFDHIHXYYCKTD-HOTGVXAUSA-N 2 2 280.460 0.792 20 0 CCADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2CCN1CCCC1 ZINC001278059814 806642703 /nfs/dbraw/zinc/64/27/03/806642703.db2.gz KFFDHIHXYYCKTD-HOTGVXAUSA-N 2 2 280.460 0.792 20 0 CCADLP COCCOC[N@@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+]1CCCC1 ZINC001278059425 806643426 /nfs/dbraw/zinc/64/34/26/806643426.db2.gz DPAYUQGUBUSYGC-HOTGVXAUSA-N 2 2 297.443 0.851 20 0 CCADLP COCCOC[N@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+]1CCCC1 ZINC001278059425 806643432 /nfs/dbraw/zinc/64/34/32/806643432.db2.gz DPAYUQGUBUSYGC-HOTGVXAUSA-N 2 2 297.443 0.851 20 0 CCADLP CC(C)(C)OC(=O)NCCCC[N@@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001237176187 806645081 /nfs/dbraw/zinc/64/50/81/806645081.db2.gz OPEBYCPBIJOWLN-LBPRGKRZSA-N 2 2 299.415 0.951 20 0 CCADLP CC(C)(C)OC(=O)NCCCC[N@H+]1C[C@H]([NH3+])C2(COC2)C1 ZINC001237176187 806645086 /nfs/dbraw/zinc/64/50/86/806645086.db2.gz OPEBYCPBIJOWLN-LBPRGKRZSA-N 2 2 299.415 0.951 20 0 CCADLP [NH3+]CCS(=O)(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001237596841 806693336 /nfs/dbraw/zinc/69/33/36/806693336.db2.gz RKGIBXYZGVOGAE-UHFFFAOYSA-N 2 2 266.326 0.573 20 0 CCADLP Cc1nc(N[C@H](C)CN(C)C(=O)CC[NH+](C)C)cc[nH+]1 ZINC001120644099 798900477 /nfs/dbraw/zinc/90/04/77/798900477.db2.gz VCIQJYXUNVIMLG-LLVKDONJSA-N 2 2 279.388 0.996 20 0 CCADLP Nc1cc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)nc[nH+]1 ZINC001120895643 798957154 /nfs/dbraw/zinc/95/71/54/798957154.db2.gz GNYGQFFXXLYGEU-GHMZBOCLSA-N 2 2 263.345 0.094 20 0 CCADLP [NH3+]Cc1ccc2nc(C(=O)NCCCn3cc[nH+]c3)cn2c1 ZINC001121974636 799111239 /nfs/dbraw/zinc/11/12/39/799111239.db2.gz LHUZVERKBJODEF-UHFFFAOYSA-N 2 2 298.350 0.810 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)C1=CCC[NH2+]CC1 ZINC001122028425 799127004 /nfs/dbraw/zinc/12/70/04/799127004.db2.gz PRJYRESVAANDAS-UHFFFAOYSA-N 2 2 267.373 0.087 20 0 CCADLP CN(C)C(=O)C1=NO[C@@H]2C[N@H+](C[C@H]3CCC[NH+](C)C3)C[C@H]12 ZINC001278149040 806719210 /nfs/dbraw/zinc/71/92/10/806719210.db2.gz VKXOVQPPBCSMMU-RWMBFGLXSA-N 2 2 294.399 0.103 20 0 CCADLP CN(C)C(=O)C1=NO[C@@H]2C[N@@H+](C[C@H]3CCC[NH+](C)C3)C[C@H]12 ZINC001278149040 806719217 /nfs/dbraw/zinc/71/92/17/806719217.db2.gz VKXOVQPPBCSMMU-RWMBFGLXSA-N 2 2 294.399 0.103 20 0 CCADLP CN(C)C(=O)C1=NO[C@@H]2C[NH+](C[C@H]3CCC[N@H+](C)C3)C[C@H]12 ZINC001278149040 806719224 /nfs/dbraw/zinc/71/92/24/806719224.db2.gz VKXOVQPPBCSMMU-RWMBFGLXSA-N 2 2 294.399 0.103 20 0 CCADLP CN(C)C(=O)C1=NO[C@@H]2C[NH+](C[C@H]3CCC[N@@H+](C)C3)C[C@H]12 ZINC001278149040 806719228 /nfs/dbraw/zinc/71/92/28/806719228.db2.gz VKXOVQPPBCSMMU-RWMBFGLXSA-N 2 2 294.399 0.103 20 0 CCADLP C[NH2+]CCCC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC001122526048 799256972 /nfs/dbraw/zinc/25/69/72/799256972.db2.gz PAUWNMUELDQMBR-LBPRGKRZSA-N 2 2 257.378 0.165 20 0 CCADLP Cc1cnc([C@H](C)[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001124878409 799643107 /nfs/dbraw/zinc/64/31/07/799643107.db2.gz LSGZXOPUJXRANW-NWDGAFQWSA-N 2 2 280.372 0.844 20 0 CCADLP Cc1cnc([C@H](C)[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001124878409 799643109 /nfs/dbraw/zinc/64/31/09/799643109.db2.gz LSGZXOPUJXRANW-NWDGAFQWSA-N 2 2 280.372 0.844 20 0 CCADLP CC1(C[NH3+])C[NH+](Cc2cccc(CN3CC[NH2+]CC3)c2)C1 ZINC001206723852 799726288 /nfs/dbraw/zinc/72/62/88/799726288.db2.gz VZAGNRICHDSHLA-UHFFFAOYSA-N 3 2 288.439 0.872 20 0 CCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001138469689 799734933 /nfs/dbraw/zinc/73/49/33/799734933.db2.gz KBSKBYXJLVJSJC-JQWIXIFHSA-N 2 2 278.356 0.722 20 0 CCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001138469689 799734937 /nfs/dbraw/zinc/73/49/37/799734937.db2.gz KBSKBYXJLVJSJC-JQWIXIFHSA-N 2 2 278.356 0.722 20 0 CCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001138469689 799734943 /nfs/dbraw/zinc/73/49/43/799734943.db2.gz KBSKBYXJLVJSJC-JQWIXIFHSA-N 2 2 278.356 0.722 20 0 CCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001138469689 799734947 /nfs/dbraw/zinc/73/49/47/799734947.db2.gz KBSKBYXJLVJSJC-JQWIXIFHSA-N 2 2 278.356 0.722 20 0 CCADLP Cc1c[nH]c(C[N@@H+]2CCC(=O)N(CC[NH+](C)C)CC2)n1 ZINC001138939634 799770975 /nfs/dbraw/zinc/77/09/75/799770975.db2.gz RGBMIMVNFMATEG-UHFFFAOYSA-N 2 2 279.388 0.314 20 0 CCADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1nccnc1N)CC2 ZINC001140015384 799869820 /nfs/dbraw/zinc/86/98/20/799869820.db2.gz YYQOPTPRCCSERI-UHFFFAOYSA-N 2 2 290.371 0.689 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC(C[NH+](C)C)C1 ZINC001141043179 799974863 /nfs/dbraw/zinc/97/48/63/799974863.db2.gz QLLFMSVVOBUXJI-UHFFFAOYSA-N 2 2 250.346 0.373 20 0 CCADLP OCCC[NH+]1CCN(Cc2ccc3[nH+]ccn3c2)CC1 ZINC001143021798 800185738 /nfs/dbraw/zinc/18/57/38/800185738.db2.gz GMCHJIKOCDCDCM-UHFFFAOYSA-N 2 2 274.368 0.834 20 0 CCADLP C[NH+]1CCC(C(=O)NCCOc2cc[nH+]cc2)CC1 ZINC001143317432 800230670 /nfs/dbraw/zinc/23/06/70/800230670.db2.gz PDNHSLHJEPIREI-UHFFFAOYSA-N 2 2 263.341 0.918 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]C[C@@H]1CCCCO1 ZINC001149571038 800277332 /nfs/dbraw/zinc/27/73/32/800277332.db2.gz MJOLGDPNINQOEU-AWEZNQCLSA-N 2 2 294.399 0.628 20 0 CCADLP CCC[N@@H+]1CCCO[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001150663760 800356344 /nfs/dbraw/zinc/35/63/44/800356344.db2.gz NZYRZLXBGDDRMA-CYBMUJFWSA-N 2 2 294.399 0.878 20 0 CCADLP CCC[N@H+]1CCCO[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001150663760 800356352 /nfs/dbraw/zinc/35/63/52/800356352.db2.gz NZYRZLXBGDDRMA-CYBMUJFWSA-N 2 2 294.399 0.878 20 0 CCADLP Cc1cnc([C@H](C)[NH2+]CCNC(=O)Cn2cc[nH+]c2C)o1 ZINC001151114227 800400669 /nfs/dbraw/zinc/40/06/69/800400669.db2.gz GDXZQWKYZGKHGV-NSHDSACASA-N 2 2 291.355 0.955 20 0 CCADLP CC(C)[NH2+]CCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001152618530 800542830 /nfs/dbraw/zinc/54/28/30/800542830.db2.gz OZRRXAPWZXWSDX-CYBMUJFWSA-N 2 2 264.373 0.799 20 0 CCADLP [NH3+]CCS(=O)(=O)N1CC[NH2+]C[C@H]1c1ccccc1F ZINC001239087628 806846948 /nfs/dbraw/zinc/84/69/48/806846948.db2.gz MALWACZZFDKIRU-LBPRGKRZSA-N 2 2 287.360 0.061 20 0 CCADLP COc1ccc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2)cn1 ZINC001153487526 800633905 /nfs/dbraw/zinc/63/39/05/800633905.db2.gz BWCALNFJWMGBOP-UHFFFAOYSA-N 2 2 289.339 0.193 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CC1CC(F)(F)C1 ZINC001153496206 800635322 /nfs/dbraw/zinc/63/53/22/800635322.db2.gz WDDDBMFHAGYYIM-UHFFFAOYSA-N 2 2 272.299 0.634 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CCOCC1CC1 ZINC001153500562 800636948 /nfs/dbraw/zinc/63/69/48/800636948.db2.gz PCAWSUXFPBOZDJ-UHFFFAOYSA-N 2 2 266.345 0.016 20 0 CCADLP C[NH+]1CCN(c2cccc(NCCn3ccnn3)[nH+]2)CC1 ZINC001154622678 800815534 /nfs/dbraw/zinc/81/55/34/800815534.db2.gz OFCAOQSLAJHMAL-UHFFFAOYSA-N 2 2 287.371 0.537 20 0 CCADLP c1cn(CCNc2ccc(N3CC[NH2+]CC3)c[nH+]2)nn1 ZINC001154622492 800816039 /nfs/dbraw/zinc/81/60/39/800816039.db2.gz LOUJCHMAMWMWHP-UHFFFAOYSA-N 2 2 273.344 0.195 20 0 CCADLP CC[N@H+](Cc1nccn1C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155023512 800891643 /nfs/dbraw/zinc/89/16/43/800891643.db2.gz IDGRAADCLGGFOJ-CYBMUJFWSA-N 2 2 295.431 0.698 20 0 CCADLP CC[N@@H+](Cc1nccn1C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155023512 800891649 /nfs/dbraw/zinc/89/16/49/800891649.db2.gz IDGRAADCLGGFOJ-CYBMUJFWSA-N 2 2 295.431 0.698 20 0 CCADLP [NH3+]CC1C[NH+]([C@H]2CCCN(c3ccc(Cl)c[n+]3[O-])C2)C1 ZINC001155376392 800960981 /nfs/dbraw/zinc/96/09/81/800960981.db2.gz MFCUCYJWTXSJOO-ZDUSSCGKSA-N 2 2 296.802 0.833 20 0 CCADLP Cc1nc(N[C@@]23CCC[C@@H]2[NH2+]CC3)nc(N(C)C)[nH+]1 ZINC001155403199 800968390 /nfs/dbraw/zinc/96/83/90/800968390.db2.gz KPSAEVFQVWSVHC-GXFFZTMASA-N 2 2 262.361 0.943 20 0 CCADLP CC[N@H+](C[C@H]1CCOC1)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155469205 800982516 /nfs/dbraw/zinc/98/25/16/800982516.db2.gz GSZSSJNEGFMBMW-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP CC[N@@H+](C[C@H]1CCOC1)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155469205 800982522 /nfs/dbraw/zinc/98/25/22/800982522.db2.gz GSZSSJNEGFMBMW-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP CCc1cc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)nc(C)[nH+]1 ZINC001155576219 801013391 /nfs/dbraw/zinc/01/33/91/801013391.db2.gz PEWQBOBMDQHOAX-GXFFZTMASA-N 2 2 261.329 0.337 20 0 CCADLP CC[N@H+](Cc1ccon1)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156890555 801254662 /nfs/dbraw/zinc/25/46/62/801254662.db2.gz OTXOZBPJIWOYER-CHWSQXEVSA-N 2 2 294.399 0.953 20 0 CCADLP CC[N@@H+](Cc1ccon1)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156890555 801254667 /nfs/dbraw/zinc/25/46/67/801254667.db2.gz OTXOZBPJIWOYER-CHWSQXEVSA-N 2 2 294.399 0.953 20 0 CCADLP CC[NH+](Cc1ccon1)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001156890555 801254673 /nfs/dbraw/zinc/25/46/73/801254673.db2.gz OTXOZBPJIWOYER-CHWSQXEVSA-N 2 2 294.399 0.953 20 0 CCADLP CC[NH+](Cc1ccon1)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001156890555 801254677 /nfs/dbraw/zinc/25/46/77/801254677.db2.gz OTXOZBPJIWOYER-CHWSQXEVSA-N 2 2 294.399 0.953 20 0 CCADLP C[NH+](C)C1(C)CN(C(=O)c2ccc3[nH+]c(N)[nH]c3c2)C1 ZINC001156971142 801274578 /nfs/dbraw/zinc/27/45/78/801274578.db2.gz YTFQMWSZJONIAZ-UHFFFAOYSA-N 2 2 273.340 0.921 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156975135 801277538 /nfs/dbraw/zinc/27/75/38/801277538.db2.gz GTKAGBGXEXBGJS-MRVPVSSYSA-N 2 2 261.329 0.825 20 0 CCADLP Cc1cc(N(C(N)=[NH2+])C(=O)[C@@H]([NH3+])Cc2ccsc2)n[nH]1 ZINC001157439843 801382238 /nfs/dbraw/zinc/38/22/38/801382238.db2.gz MZPFEQZYUHKZOD-VIFPVBQESA-N 2 2 292.368 0.576 20 0 CCADLP c1cn(-c2cc(N3CCOCC3)[nH+]cn2)c2c1C[NH2+]CC2 ZINC001157443341 801384523 /nfs/dbraw/zinc/38/45/23/801384523.db2.gz VGHNTVFSBCZFSH-UHFFFAOYSA-N 2 2 285.351 0.750 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC(=O)[C@@H]3CCCC[C@@H]32)C1 ZINC001157568370 801423643 /nfs/dbraw/zinc/42/36/43/801423643.db2.gz SAGPXTUKGCNQFC-WYUUTHIRSA-N 2 2 265.357 0.036 20 0 CCADLP c1nc(N[C@@H]2CCC[N@@H+](C3COC3)C2)nc2c1C[NH2+]C2 ZINC001157583560 801427228 /nfs/dbraw/zinc/42/72/28/801427228.db2.gz RPJOFEAKSXIHCN-LLVKDONJSA-N 2 2 275.356 0.355 20 0 CCADLP c1nc(N[C@@H]2CCC[N@H+](C3COC3)C2)nc2c1C[NH2+]C2 ZINC001157583560 801427233 /nfs/dbraw/zinc/42/72/33/801427233.db2.gz RPJOFEAKSXIHCN-LLVKDONJSA-N 2 2 275.356 0.355 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ncnc3cnccc32)CC1 ZINC001157914533 801519080 /nfs/dbraw/zinc/51/90/80/801519080.db2.gz HJGXXHBYLNOSSW-UHFFFAOYSA-N 2 2 271.328 0.619 20 0 CCADLP CCOC(=O)c1cccc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001157914304 801519569 /nfs/dbraw/zinc/51/95/69/801519569.db2.gz ASMNPWUKAIABOH-UHFFFAOYSA-N 2 2 291.355 0.852 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cnc3c(n2)CCCC3)CC1 ZINC001157915571 801520828 /nfs/dbraw/zinc/52/08/28/801520828.db2.gz BBOYGRHIFVRHTB-UHFFFAOYSA-N 2 2 274.372 0.949 20 0 CCADLP C[C@]1(CF)CC(F)(F)CN1C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001157952098 801537174 /nfs/dbraw/zinc/53/71/74/801537174.db2.gz MIBIDHXROHCBSY-GXSJLCMTSA-N 2 2 290.289 0.875 20 0 CCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)C[C@H]([NH3+])[C@@H](C)CC ZINC001157998397 801550042 /nfs/dbraw/zinc/55/00/42/801550042.db2.gz FFZFYQHAEOCINX-SRVKXCTJSA-N 2 2 285.388 0.113 20 0 CCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@]1(CC)CCC[NH2+]C1 ZINC001157999893 801550593 /nfs/dbraw/zinc/55/05/93/801550593.db2.gz VEKDLQJGXCVELP-DOMZBBRYSA-N 2 2 297.399 0.130 20 0 CCADLP C[C@H]1CN(c2cc(N3CCOCC3)[nH+]cn2)C[C@H](C)[NH2+]1 ZINC001158172812 801583316 /nfs/dbraw/zinc/58/33/16/801583316.db2.gz NFVXIDBVRYOUDV-RYUDHWBXSA-N 2 2 277.372 0.500 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nc(Cl)nc2c1CCC2 ZINC001158203959 801592672 /nfs/dbraw/zinc/59/26/72/801592672.db2.gz KKBPLNYDLRIJGC-MRVPVSSYSA-N 2 2 293.758 0.667 20 0 CCADLP CC(C)c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nn1 ZINC001158203913 801592722 /nfs/dbraw/zinc/59/27/22/801592722.db2.gz JMDSMWDVHNVLQC-SNVBAGLBSA-N 2 2 261.329 0.648 20 0 CCADLP Cc1nnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c2ccccc12 ZINC001158206298 801593875 /nfs/dbraw/zinc/59/38/75/801593875.db2.gz IKDTVIIEEHIOMH-LLVKDONJSA-N 2 2 283.335 0.986 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc(-c2nnco2)ccn1 ZINC001158209290 801595829 /nfs/dbraw/zinc/59/58/29/801595829.db2.gz PJJLCXHLERPROF-SNVBAGLBSA-N 2 2 286.295 0.179 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Nc2cc(N(C)C)cc[nH+]2)C[NH2+]1 ZINC001158254725 801605167 /nfs/dbraw/zinc/60/51/67/801605167.db2.gz JOZAMPLUQQWTOK-KOLCDFICSA-N 2 2 264.329 0.463 20 0 CCADLP Cc1ccnnc1N1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158259654 801607203 /nfs/dbraw/zinc/60/72/03/801607203.db2.gz UPVAHCQUNYICER-LBPRGKRZSA-N 2 2 261.373 0.787 20 0 CCADLP Cc1ccnnc1N1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158259654 801607208 /nfs/dbraw/zinc/60/72/08/801607208.db2.gz UPVAHCQUNYICER-LBPRGKRZSA-N 2 2 261.373 0.787 20 0 CCADLP COc1ccnc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158260214 801608451 /nfs/dbraw/zinc/60/84/51/801608451.db2.gz YMROBDCUDBPCJY-NSHDSACASA-N 2 2 277.372 0.487 20 0 CCADLP COc1ccnc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158260214 801608457 /nfs/dbraw/zinc/60/84/57/801608457.db2.gz YMROBDCUDBPCJY-NSHDSACASA-N 2 2 277.372 0.487 20 0 CCADLP Nc1cc(NCc2ncn3c2C[NH2+]CCC3)[nH+]cn1 ZINC001158362289 801627389 /nfs/dbraw/zinc/62/73/89/801627389.db2.gz HASORKWKIFPCGW-UHFFFAOYSA-N 2 2 259.317 0.361 20 0 CCADLP C[C@@H]1C[NH+](C2CN(c3cccc(N)[nH+]3)C2)C[C@@H](C)O1 ZINC001158717700 801693431 /nfs/dbraw/zinc/69/34/31/801693431.db2.gz KVWHFCDMUHNDSR-GHMZBOCLSA-N 2 2 262.357 0.962 20 0 CCADLP CCOCCC[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159540393 801831247 /nfs/dbraw/zinc/83/12/47/801831247.db2.gz OXBCOMYEPQLKCV-UHFFFAOYSA-N 2 2 282.388 0.865 20 0 CCADLP CCOCCC[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159540393 801831254 /nfs/dbraw/zinc/83/12/54/801831254.db2.gz OXBCOMYEPQLKCV-UHFFFAOYSA-N 2 2 282.388 0.865 20 0 CCADLP CSc1nc(N[C@H]2C[NH2+]C[C@H]2CO)cc(C)[nH+]1 ZINC001159673401 801846032 /nfs/dbraw/zinc/84/60/32/801846032.db2.gz WZSILRZMYDRRJI-IUCAKERBSA-N 2 2 254.359 0.499 20 0 CCADLP Nc1nc(N2c3ccccc3OC[C@H]2C[NH3+])cc[nH+]1 ZINC001160199574 801918593 /nfs/dbraw/zinc/91/85/93/801918593.db2.gz IHQKOTGTAKYJIR-SECBINFHSA-N 2 2 257.297 0.917 20 0 CCADLP C[NH2+]Cc1ccc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)cc1 ZINC001160443354 801942131 /nfs/dbraw/zinc/94/21/31/801942131.db2.gz HVYRPSSLKCUUAX-NFAWXSAZSA-N 3 2 274.368 0.566 20 0 CCADLP CCN(C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)C1CCOCC1 ZINC001160490739 801950665 /nfs/dbraw/zinc/95/06/65/801950665.db2.gz GDVIRVNGKUNIEZ-ZDUSSCGKSA-N 2 2 280.372 0.317 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CCCC23COC3)cc1 ZINC001160541989 801967118 /nfs/dbraw/zinc/96/71/18/801967118.db2.gz LTCXVBPNGGLCCD-ZDUSSCGKSA-N 2 2 275.352 0.650 20 0 CCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC001160689196 802000935 /nfs/dbraw/zinc/00/09/35/802000935.db2.gz JLYPBZHINCGZHK-ZDEQEGDKSA-N 2 2 289.383 0.066 20 0 CCADLP C[N@H+]1C[C@H]2CN(C(=O)c3ccc([C@@H]([NH3+])C[NH3+])cc3)C[C@H]2C1 ZINC001160704823 802006793 /nfs/dbraw/zinc/00/67/93/802006793.db2.gz OHVJNDWQFAVECX-ZNMIVQPWSA-N 3 2 288.395 0.279 20 0 CCADLP C[N@@H+]1C[C@H]2CN(C(=O)c3ccc([C@@H]([NH3+])C[NH3+])cc3)C[C@H]2C1 ZINC001160704823 802006803 /nfs/dbraw/zinc/00/68/03/802006803.db2.gz OHVJNDWQFAVECX-ZNMIVQPWSA-N 3 2 288.395 0.279 20 0 CCADLP O=C(CC1CC[NH2+]CC1)N1CCc2[nH+]ccn2CC1 ZINC001160760359 802017019 /nfs/dbraw/zinc/01/70/19/802017019.db2.gz KPLNNAQAWMIBHA-UHFFFAOYSA-N 2 2 262.357 0.658 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCc2[nH+]ccn2CC1 ZINC001160761040 802017389 /nfs/dbraw/zinc/01/73/89/802017389.db2.gz UPBALRQJZSVPAP-NWDGAFQWSA-N 2 2 262.357 0.656 20 0 CCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC2(C[C@@H](F)CO2)CC1 ZINC001160786539 802019617 /nfs/dbraw/zinc/01/96/17/802019617.db2.gz FFTAFHIULROUEU-QNWHQSFQSA-N 2 2 297.374 0.056 20 0 CCADLP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001160848465 802029784 /nfs/dbraw/zinc/02/97/84/802029784.db2.gz GEDGEXPCLNYPMF-LBPRGKRZSA-N 3 2 279.388 0.572 20 0 CCADLP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001160848465 802029791 /nfs/dbraw/zinc/02/97/91/802029791.db2.gz GEDGEXPCLNYPMF-LBPRGKRZSA-N 3 2 279.388 0.572 20 0 CCADLP CC(=O)c1ccc2c(c1)CN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)CC2 ZINC001160849665 802031913 /nfs/dbraw/zinc/03/19/13/802031913.db2.gz UIDZHXIGTZHUBG-CABCVRRESA-N 2 2 287.363 0.463 20 0 CCADLP CN(CCC(=O)c1cccs1)C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001160928563 802048484 /nfs/dbraw/zinc/04/84/84/802048484.db2.gz GKIPKDOMBQMUEF-VIFPVBQESA-N 2 2 269.370 0.455 20 0 CCADLP CNC(=O)C[NH+]1CCC(Nc2[nH+]cccc2N)CC1 ZINC001161136015 802098542 /nfs/dbraw/zinc/09/85/42/802098542.db2.gz RTORCFNTCHLUOA-UHFFFAOYSA-N 2 2 263.345 0.286 20 0 CCADLP CCN(C(=O)[C@H]([NH3+])Cc1cccc(O)c1)C1C[NH+](C)C1 ZINC001161137306 802099812 /nfs/dbraw/zinc/09/98/12/802099812.db2.gz CMJAWIDDYLWVHG-CQSZACIVSA-N 2 2 277.368 0.425 20 0 CCADLP CC(C)N(C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)[C@H]1CC[NH2+]C1 ZINC001161353887 802136668 /nfs/dbraw/zinc/13/66/68/802136668.db2.gz FJKBJIJLORLKJB-LSDHHAIUSA-N 3 2 290.411 0.858 20 0 CCADLP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CCCC[NH2+]3)C2)CC1 ZINC001161379447 802141548 /nfs/dbraw/zinc/14/15/48/802141548.db2.gz PUMLAYCYUQGHHE-KGLIPLIRSA-N 3 2 280.416 0.153 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC001161417437 802150974 /nfs/dbraw/zinc/15/09/74/802150974.db2.gz VAYLWFWPTLNSJL-XGUBFFRZSA-N 3 2 288.395 0.454 20 0 CCADLP O=C(N(C1CCC1)C1CCOCC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161460724 802158325 /nfs/dbraw/zinc/15/83/25/802158325.db2.gz OFQKPVHZGMCPFA-LRDDRELGSA-N 2 2 293.411 0.498 20 0 CCADLP NC(=O)c1c(Cl)ncnc1NCC[NH+]1CCC([NH3+])CC1 ZINC001161867866 802234640 /nfs/dbraw/zinc/23/46/40/802234640.db2.gz TUCCTXMEZXBDJT-UHFFFAOYSA-N 2 2 298.778 0.064 20 0 CCADLP Cc1nc(NCC[NH+]2CCC([NH3+])CC2)cc(N(C)C)[nH+]1 ZINC001161867721 802234846 /nfs/dbraw/zinc/23/48/46/802234846.db2.gz YLXHPCIKXQDAPY-UHFFFAOYSA-N 3 2 278.404 0.686 20 0 CCADLP CS(=O)(=O)N(CC[NH3+])c1ccn2cc[nH+]c2c1 ZINC001162126462 802279181 /nfs/dbraw/zinc/27/91/81/802279181.db2.gz HQCQSIZKQVYYDP-UHFFFAOYSA-N 2 2 254.315 0.059 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@H]2C[NH2+]CCN2)[C@H](c2ccccc2)C1 ZINC000250423295 802283809 /nfs/dbraw/zinc/28/38/09/802283809.db2.gz ZVIAJEVXCYDOBI-CABCVRRESA-N 2 2 288.395 0.063 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]2C[NH2+]CCN2)[C@H](c2ccccc2)C1 ZINC000250423295 802283813 /nfs/dbraw/zinc/28/38/13/802283813.db2.gz ZVIAJEVXCYDOBI-CABCVRRESA-N 2 2 288.395 0.063 20 0 CCADLP Cn1ccc2c[nH+]c(NC[C@H]3C[N@H+](C)CCO3)nc21 ZINC001162680413 802385460 /nfs/dbraw/zinc/38/54/60/802385460.db2.gz LIDDQJLNRXKOGV-NSHDSACASA-N 2 2 261.329 0.711 20 0 CCADLP Cn1ccc2c[nH+]c(NC[C@H]3C[N@@H+](C)CCO3)nc21 ZINC001162680413 802385470 /nfs/dbraw/zinc/38/54/70/802385470.db2.gz LIDDQJLNRXKOGV-NSHDSACASA-N 2 2 261.329 0.711 20 0 CCADLP CN(C)c1ccc(NCc2nnn3c2C[NH2+]CCC3)[nH+]c1 ZINC001162977228 802447321 /nfs/dbraw/zinc/44/73/21/802447321.db2.gz GSFCJPOBADAHAZ-UHFFFAOYSA-N 2 2 287.371 0.845 20 0 CCADLP CCC[NH2+]CCCNC(=O)CCc1[nH+]ccn1C ZINC001163050130 802467779 /nfs/dbraw/zinc/46/77/79/802467779.db2.gz AWEPTIAWSJWKOX-UHFFFAOYSA-N 2 2 252.362 0.859 20 0 CCADLP Cc1nc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)c2c([nH+]1)CCCC2 ZINC001163240620 802513414 /nfs/dbraw/zinc/51/34/14/802513414.db2.gz ZIRYMDVLRKWLNR-DOMZBBRYSA-N 2 2 287.367 0.654 20 0 CCADLP C[NH+](C)C1(CNc2cnc3[nH]nnc3c2)CC[NH+](C)CC1 ZINC001164210304 802688688 /nfs/dbraw/zinc/68/86/88/802688688.db2.gz BIHMLGRZBHMNCB-UHFFFAOYSA-N 2 2 289.387 0.791 20 0 CCADLP c1nc2c(n1-c1cc[nH+]c(N3CCOCC3)n1)C[NH2+]CC2 ZINC001164317083 802721145 /nfs/dbraw/zinc/72/11/45/802721145.db2.gz XBSZNSQRBIJRDH-UHFFFAOYSA-N 2 2 286.339 0.145 20 0 CCADLP Cc1cc(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)nc(C(C)C)[nH+]1 ZINC001165283343 802813020 /nfs/dbraw/zinc/81/30/20/802813020.db2.gz UEQULNKJACDCFH-DOMZBBRYSA-N 2 2 276.384 0.927 20 0 CCADLP CN(C)c1cc(N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)nc[nH+]1 ZINC001165286535 802814196 /nfs/dbraw/zinc/81/41/96/802814196.db2.gz GGZCQCBOSXUSJP-VXGBXAGGSA-N 2 2 277.372 0.357 20 0 CCADLP CN(C)c1cc(N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)[nH+]cn1 ZINC001165286535 802814199 /nfs/dbraw/zinc/81/41/99/802814199.db2.gz GGZCQCBOSXUSJP-VXGBXAGGSA-N 2 2 277.372 0.357 20 0 CCADLP Cc1[nH+]c2c(n1-c1ccc3c(n1)NC(=O)CO3)CC[NH2+]CC2 ZINC001165352635 802826471 /nfs/dbraw/zinc/82/64/71/802826471.db2.gz DZYSRDAEWTZONP-UHFFFAOYSA-N 2 2 299.334 0.595 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CC[NH2+]CCO ZINC001104839993 811739736 /nfs/dbraw/zinc/73/97/36/811739736.db2.gz QYVWBJLGCRKRSU-VXGBXAGGSA-N 2 2 280.372 0.019 20 0 CCADLP C[NH+](C)CCC(=O)NCCC[NH2+]Cc1noc(C2CC2)n1 ZINC001165800808 802866910 /nfs/dbraw/zinc/86/69/10/802866910.db2.gz IJQSUWNNNSOBRA-UHFFFAOYSA-N 2 2 295.387 0.495 20 0 CCADLP O=C(NCCC[NH2+]CCCO)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001166403387 802904310 /nfs/dbraw/zinc/90/43/10/802904310.db2.gz XMJKBDNFVHBFNT-LLVKDONJSA-N 2 2 280.372 0.308 20 0 CCADLP CC(=O)N(C)C1CN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC001166729012 802951289 /nfs/dbraw/zinc/95/12/89/802951289.db2.gz BNHPUGXXTNYSBE-UHFFFAOYSA-N 2 2 289.383 0.158 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1C[C@H]([NH2+]CCCO)C12CCC2 ZINC001203444292 803027982 /nfs/dbraw/zinc/02/79/82/803027982.db2.gz RKZKJEACDAYRAQ-QWHCGFSZSA-N 2 2 292.383 0.352 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N1CCC([NH2+]CCCO)CC1 ZINC001204069860 803063042 /nfs/dbraw/zinc/06/30/42/803063042.db2.gz WKEPTNSKGVCZOG-UHFFFAOYSA-N 2 2 294.399 0.626 20 0 CCADLP C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1C[C@@H]([NH3+])[C@H](O)C1 ZINC001205346830 803135708 /nfs/dbraw/zinc/13/57/08/803135708.db2.gz FTMRJIBVFAVAMF-CYZMBNFOSA-N 2 2 278.352 0.598 20 0 CCADLP C[C@@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]([NH3+])[C@H](O)C1 ZINC001205346830 803135710 /nfs/dbraw/zinc/13/57/10/803135710.db2.gz FTMRJIBVFAVAMF-CYZMBNFOSA-N 2 2 278.352 0.598 20 0 CCADLP CCn1cc(C[NH+]2CCN(CC[NH+](C)C)CC2)cn1 ZINC001205513664 803144546 /nfs/dbraw/zinc/14/45/46/803144546.db2.gz KTYBRGLPFDVZIG-UHFFFAOYSA-N 2 2 265.405 0.582 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1O ZINC001206469499 803247877 /nfs/dbraw/zinc/24/78/77/803247877.db2.gz QAOQIHFNPCBGPK-DZGCQCFKSA-N 3 2 272.352 0.624 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1O ZINC001206469499 803247881 /nfs/dbraw/zinc/24/78/81/803247881.db2.gz QAOQIHFNPCBGPK-DZGCQCFKSA-N 3 2 272.352 0.624 20 0 CCADLP CC(C)(O)c1ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cn1 ZINC001206480899 803251962 /nfs/dbraw/zinc/25/19/62/803251962.db2.gz KVXKTAJICOBOKK-NWDGAFQWSA-N 2 2 265.357 0.060 20 0 CCADLP CC(C)(O)c1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cn1 ZINC001206480899 803251965 /nfs/dbraw/zinc/25/19/65/803251965.db2.gz KVXKTAJICOBOKK-NWDGAFQWSA-N 2 2 265.357 0.060 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206922313 803308290 /nfs/dbraw/zinc/30/82/90/803308290.db2.gz IFOFLWSVIDSFHO-IJLUTSLNSA-N 2 2 280.372 0.160 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206922313 803308296 /nfs/dbraw/zinc/30/82/96/803308296.db2.gz IFOFLWSVIDSFHO-IJLUTSLNSA-N 2 2 280.372 0.160 20 0 CCADLP Cc1noc(C)c1C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001207132461 803357069 /nfs/dbraw/zinc/35/70/69/803357069.db2.gz HUQOETSXBWFGMA-UHFFFAOYSA-N 2 2 266.389 0.971 20 0 CCADLP C[NH+]1CCN(C2C[NH+](C[C@H]3COC(C)(C)O3)C2)CC1 ZINC001207932189 803468685 /nfs/dbraw/zinc/46/86/85/803468685.db2.gz FXUVJDKNHCTNQY-ZDUSSCGKSA-N 2 2 269.389 0.070 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@@H]([NH2+]CCCO)C1 ZINC001208680448 803536597 /nfs/dbraw/zinc/53/65/97/803536597.db2.gz VHTLJFWOULWNNZ-CYBMUJFWSA-N 2 2 294.399 0.316 20 0 CCADLP CCOCC[NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001208849701 803549430 /nfs/dbraw/zinc/54/94/30/803549430.db2.gz XWHSQKKVPWPIJC-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP COCCC[NH2+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001208849285 803549473 /nfs/dbraw/zinc/54/94/73/803549473.db2.gz SHCBVBRFEPUGAF-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP COCC[NH2+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001208849525 803549860 /nfs/dbraw/zinc/54/98/60/803549860.db2.gz WHZQGGWBFJYTMA-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP O=C(N[C@@H](C[NH2+]CCF)C1CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001276610569 803569098 /nfs/dbraw/zinc/56/90/98/803569098.db2.gz CCEUVGKRBAFQMJ-STQMWFEESA-N 2 2 294.374 0.899 20 0 CCADLP Cc1noc(C)c1C[NH+]1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001276621423 803576761 /nfs/dbraw/zinc/57/67/61/803576761.db2.gz UVYYFXIFSABSTI-UHFFFAOYSA-N 2 2 278.400 0.971 20 0 CCADLP C[C@]1(CO)CC[N@H+](Cc2c[nH+]ccc2N)C[C@H]1O ZINC001209730164 803626405 /nfs/dbraw/zinc/62/64/05/803626405.db2.gz UNJDYEHITRKTSC-CHWSQXEVSA-N 2 2 251.330 0.059 20 0 CCADLP C[C@]1(CO)CC[N@@H+](Cc2c[nH+]ccc2N)C[C@H]1O ZINC001209730164 803626408 /nfs/dbraw/zinc/62/64/08/803626408.db2.gz UNJDYEHITRKTSC-CHWSQXEVSA-N 2 2 251.330 0.059 20 0 CCADLP CCOCCC[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209836407 803631940 /nfs/dbraw/zinc/63/19/40/803631940.db2.gz KBHHAJMCLKULCI-ZDUSSCGKSA-N 2 2 294.399 0.959 20 0 CCADLP CC[C@@H](C[NH2+][C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1)OC ZINC001210305216 803646649 /nfs/dbraw/zinc/64/66/49/803646649.db2.gz URWVCEIWBBVJDB-OLZOCXBDSA-N 2 2 294.399 0.958 20 0 CCADLP COC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001210849758 803661495 /nfs/dbraw/zinc/66/14/95/803661495.db2.gz RKSYPZGUHWILDP-WCQYABFASA-N 2 2 294.399 0.876 20 0 CCADLP CCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](OC)C1 ZINC001213239161 803686638 /nfs/dbraw/zinc/68/66/38/803686638.db2.gz CZINHVHOAARBSF-CHWSQXEVSA-N 2 2 280.372 0.499 20 0 CCADLP C[C@@H]1CCC[N@@H+]1CCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000897517765 814966134 /nfs/dbraw/zinc/96/61/34/814966134.db2.gz CHXCNTJEFWRYAY-VXGBXAGGSA-N 2 2 277.372 0.591 20 0 CCADLP C[C@@H]1CCC[N@H+]1CCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000897517765 814966139 /nfs/dbraw/zinc/96/61/39/814966139.db2.gz CHXCNTJEFWRYAY-VXGBXAGGSA-N 2 2 277.372 0.591 20 0 CCADLP COCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001215855662 803827891 /nfs/dbraw/zinc/82/78/91/803827891.db2.gz VFRBQEPGKJYVGJ-OUCADQQQSA-N 2 2 294.399 0.671 20 0 CCADLP COCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215855662 803827900 /nfs/dbraw/zinc/82/79/00/803827900.db2.gz VFRBQEPGKJYVGJ-OUCADQQQSA-N 2 2 294.399 0.671 20 0 CCADLP CC1(C)[NH2+][C@H](CO[C@H]2CC[NH2+]CC2(F)F)CO1 ZINC001217784039 803913373 /nfs/dbraw/zinc/91/33/73/803913373.db2.gz XYALSAUXDGKFQA-BDAKNGLRSA-N 2 2 250.289 0.725 20 0 CCADLP COC(=O)[C@H]1[NH2+]CC[C@H]1Oc1ccc2c(c1C)CC[NH2+]C2 ZINC001218345820 803950534 /nfs/dbraw/zinc/95/05/34/803950534.db2.gz BYGRMMLMRSTZAJ-CABCVRRESA-N 2 2 290.363 0.923 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)Nc2ncccn2)cc1 ZINC001218494710 803960676 /nfs/dbraw/zinc/96/06/76/803960676.db2.gz APCUFLGJMZGMPX-NSHDSACASA-N 2 2 257.297 0.687 20 0 CCADLP COc1nc(Cl)cc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)n1 ZINC001218516576 803980811 /nfs/dbraw/zinc/98/08/11/803980811.db2.gz AIDWWSBMPAIZPV-SSDOTTSWSA-N 2 2 296.718 0.370 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1nc2c(s1)CCC2 ZINC001218518522 803981843 /nfs/dbraw/zinc/98/18/43/803981843.db2.gz PJHFRIWDXNPQNI-QMMMGPOBSA-N 2 2 277.353 0.863 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)n1ccc(Cl)c(N)c1=N ZINC001218567480 804012012 /nfs/dbraw/zinc/01/20/12/804012012.db2.gz RJLVWBNYKXFCJQ-VIFPVBQESA-N 2 2 294.746 0.147 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccc(OCC3CCC3)nc2)C1 ZINC001218592165 804024623 /nfs/dbraw/zinc/02/46/23/804024623.db2.gz QZDMMLIZGQVPHI-YPMHNXCESA-N 2 2 290.367 0.888 20 0 CCADLP COC(=O)c1scnc1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218623768 804041345 /nfs/dbraw/zinc/04/13/45/804041345.db2.gz BVJLFWJCHFQSCQ-UHFFFAOYSA-N 2 2 298.368 0.210 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1c[nH]c2cccnc12 ZINC001218641611 804055246 /nfs/dbraw/zinc/05/52/46/804055246.db2.gz XPVLOSMLFIUSME-SECBINFHSA-N 2 2 270.296 0.795 20 0 CCADLP Cc1cc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c2cc[nH]c2n1 ZINC001218701124 804087020 /nfs/dbraw/zinc/08/70/20/804087020.db2.gz CQJGDFLEINJFBB-KCJUWKMLSA-N 2 2 259.313 0.451 20 0 CCADLP Cc1cc(NC(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)cnc1OC(C)C ZINC001218760431 804113647 /nfs/dbraw/zinc/11/36/47/804113647.db2.gz UDRBANRIZMSXFY-JQWIXIFHSA-N 2 2 278.356 0.805 20 0 CCADLP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001218788506 804119477 /nfs/dbraw/zinc/11/94/77/804119477.db2.gz VRWBYLFUOCRIMT-LBPRGKRZSA-N 3 2 275.356 0.990 20 0 CCADLP COc1cc(OC)c(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc1Cl ZINC001218808586 804127359 /nfs/dbraw/zinc/12/73/59/804127359.db2.gz GVETTYHJTYMOBT-CBAPKCEASA-N 2 2 299.758 0.842 20 0 CCADLP Cn1nnc2cc(NC(=O)[C@H]([NH3+])Cc3c[nH+]c[nH]3)ccc21 ZINC001218877865 804144590 /nfs/dbraw/zinc/14/45/90/804144590.db2.gz KPKYTOZTLVHIKD-SNVBAGLBSA-N 2 2 285.311 0.200 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc2c(c1)NCCC2 ZINC001218903184 804153459 /nfs/dbraw/zinc/15/34/59/804153459.db2.gz BAVYMJIXPNTUNV-RYUDHWBXSA-N 2 2 260.341 0.530 20 0 CCADLP Cc1cc(N)ccc1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001219316912 804267391 /nfs/dbraw/zinc/26/73/91/804267391.db2.gz GSMFJRGUJWISOJ-LLVKDONJSA-N 2 2 259.313 0.809 20 0 CCADLP COc1ccc2ccc(NC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])cc2n1 ZINC001219406820 804300373 /nfs/dbraw/zinc/30/03/73/804300373.db2.gz JAMDFKLQAQMKNN-RYUDHWBXSA-N 2 2 286.335 0.729 20 0 CCADLP C[C@@H](F)CC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219550909 804344292 /nfs/dbraw/zinc/34/42/92/804344292.db2.gz LLBREQVXTGMMST-UTUOFQBUSA-N 2 2 298.362 0.252 20 0 CCADLP C[C@@H](F)CC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219550909 804344300 /nfs/dbraw/zinc/34/43/00/804344300.db2.gz LLBREQVXTGMMST-UTUOFQBUSA-N 2 2 298.362 0.252 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)CN(C)c2cccc[nH+]2)C[NH2+]1 ZINC001219582676 804357966 /nfs/dbraw/zinc/35/79/66/804357966.db2.gz IMDYGZNXAIWIMT-RYUDHWBXSA-N 2 2 262.357 0.775 20 0 CCADLP C[C@H]([NH3+])c1ncc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)s1 ZINC001219695201 804406072 /nfs/dbraw/zinc/40/60/72/804406072.db2.gz RCSMDYWISJQJHO-DTWKUNHWSA-N 2 2 284.385 0.223 20 0 CCADLP C[C@H]([NH3+])c1ncc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)s1 ZINC001219695201 804406076 /nfs/dbraw/zinc/40/60/76/804406076.db2.gz RCSMDYWISJQJHO-DTWKUNHWSA-N 2 2 284.385 0.223 20 0 CCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O)[NH+](C)C ZINC001219869680 804435331 /nfs/dbraw/zinc/43/53/31/804435331.db2.gz QXPFSFMFDIWSBX-QEPQOOGFSA-N 2 2 289.807 0.240 20 0 CCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O)[NH+](C)C ZINC001219869680 804435335 /nfs/dbraw/zinc/43/53/35/804435335.db2.gz QXPFSFMFDIWSBX-QEPQOOGFSA-N 2 2 289.807 0.240 20 0 CCADLP CCOC(=O)CC(=N)NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001219882838 804439145 /nfs/dbraw/zinc/43/91/45/804439145.db2.gz ORJFZRXWTAFRAT-NSHDSACASA-N 2 2 292.339 0.305 20 0 CCADLP Cc1ccc(CCNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)c(C)c1 ZINC001219907956 804444860 /nfs/dbraw/zinc/44/48/60/804444860.db2.gz LDZFOLALCGFUHE-HRCADAONSA-N 2 2 287.407 0.912 20 0 CCADLP O=C(NCCOc1ccccc1F)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219936912 804452123 /nfs/dbraw/zinc/45/21/23/804452123.db2.gz YTSJOHLVSFEMMQ-NHYWBVRUSA-N 2 2 293.342 0.272 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC001219948361 804456175 /nfs/dbraw/zinc/45/61/75/804456175.db2.gz SXPQLWGPQFWVNJ-JYJNAYRXSA-N 2 2 296.374 0.834 20 0 CCADLP CNc1ccc(CNC(=O)C2([NH3+])CC[NH2+]CC2)cc1 ZINC001219957635 804458464 /nfs/dbraw/zinc/45/84/64/804458464.db2.gz YQWVORMZYQRPMS-UHFFFAOYSA-N 2 2 262.357 0.425 20 0 CCADLP Cc1[nH+]c(N)ccc1CNC(=O)c1ccc([C@@H](N)C[NH3+])cc1 ZINC001220074204 804493522 /nfs/dbraw/zinc/49/35/22/804493522.db2.gz QRFUDVWKQSYNPV-AWEZNQCLSA-N 2 2 299.378 0.861 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC001220151684 804516084 /nfs/dbraw/zinc/51/60/84/804516084.db2.gz CHWKMXSEGHFJGN-BIMULSAOSA-N 3 2 262.357 0.112 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCC2([NH+]3CCCC3)COC2)C1 ZINC001220197850 804534420 /nfs/dbraw/zinc/53/44/20/804534420.db2.gz UGPHJSLZJVEDMC-OLZOCXBDSA-N 2 2 281.400 0.356 20 0 CCADLP Cc1ccc(C2(NC(=O)C3([NH3+])CC[NH2+]CC3)COC2)cc1 ZINC001220202283 804536021 /nfs/dbraw/zinc/53/60/21/804536021.db2.gz AGBHPAQMNKRUFB-UHFFFAOYSA-N 2 2 289.379 0.418 20 0 CCADLP COC1CCC(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)CC1 ZINC001220221024 804540739 /nfs/dbraw/zinc/54/07/39/804540739.db2.gz OAYADPFABSLIKA-GDKBPFBDSA-N 2 2 280.372 0.364 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC(C)(C)C1 ZINC001220291779 804563060 /nfs/dbraw/zinc/56/30/60/804563060.db2.gz XJLNGASHUBKOCJ-RHYQMDGZSA-N 2 2 253.390 0.864 20 0 CCADLP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001220383788 804589813 /nfs/dbraw/zinc/58/98/13/804589813.db2.gz CYINDCMBHCMSRA-IHRRRGAJSA-N 3 2 288.395 0.668 20 0 CCADLP CCCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001220441440 804603509 /nfs/dbraw/zinc/60/35/09/804603509.db2.gz CADCPOXXBYUOMZ-MJBXVCDLSA-N 2 2 294.399 0.796 20 0 CCADLP CCCC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001220441440 804603514 /nfs/dbraw/zinc/60/35/14/804603514.db2.gz CADCPOXXBYUOMZ-MJBXVCDLSA-N 2 2 294.399 0.796 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001220584920 804631252 /nfs/dbraw/zinc/63/12/52/804631252.db2.gz ORDKQQQAKZSWGG-DUVUQDDDSA-N 2 2 289.807 0.242 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001220584920 804631258 /nfs/dbraw/zinc/63/12/58/804631258.db2.gz ORDKQQQAKZSWGG-DUVUQDDDSA-N 2 2 289.807 0.242 20 0 CCADLP O=C(N[C@@H]1COCc2ccccc21)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220658805 804643659 /nfs/dbraw/zinc/64/36/59/804643659.db2.gz XREONGPRKCEJSB-XPKDYRNWSA-N 2 2 287.363 0.326 20 0 CCADLP CCOC(=O)[C@H](NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)[C@@H](C)CC ZINC001220665992 804645391 /nfs/dbraw/zinc/64/53/91/804645391.db2.gz OTCLFKDGIUKRIO-JZRPKSSGSA-N 2 2 297.399 0.030 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)CC(C)(C)CC[NH3+] ZINC001220763668 804662335 /nfs/dbraw/zinc/66/23/35/804662335.db2.gz KBOCUBUAXJAJEY-ZOBORPQBSA-N 3 2 296.459 0.454 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCc1cc2ccncc2[nH]1 ZINC001220868156 804684439 /nfs/dbraw/zinc/68/44/39/804684439.db2.gz CXYUSYKXJSFPIO-ZDUSSCGKSA-N 2 2 298.350 0.483 20 0 CCADLP CC(C)CC1(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CCOCC1 ZINC001221001351 804715114 /nfs/dbraw/zinc/71/51/14/804715114.db2.gz QOSLFVYROFONMN-NEPJUHHUSA-N 2 2 269.389 0.387 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@@H]1CCCc2cnccc21 ZINC001221293039 804769441 /nfs/dbraw/zinc/76/94/41/804769441.db2.gz YKRSECOQNHZZQZ-LSDHHAIUSA-N 2 2 299.378 0.879 20 0 CCADLP CC(C)(NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])c1cc(Cl)ccn1 ZINC001221393956 804797400 /nfs/dbraw/zinc/79/74/00/804797400.db2.gz TVFHUICYVPXZJV-UWVGGRQHSA-N 2 2 282.775 0.633 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1CCc2c1cccc2O ZINC001221395296 804801785 /nfs/dbraw/zinc/80/17/85/804801785.db2.gz RCLHPHPJJTYANQ-SDDRHHMPSA-N 2 2 261.325 0.042 20 0 CCADLP C[C@@]1(C(=O)N[C@H](C2CCC2)C2C[NH2+]C2)CC(F)(F)C[NH2+]1 ZINC001221407225 804808870 /nfs/dbraw/zinc/80/88/70/804808870.db2.gz BJWHEUPKNBDHGQ-YPMHNXCESA-N 2 2 287.354 0.878 20 0 CCADLP C[NH+](C)CC1(C(=O)N2C[C@H]3CC[N@H+](CCF)C[C@H]32)CC1 ZINC001221772943 804842469 /nfs/dbraw/zinc/84/24/69/804842469.db2.gz SEWAPODWPMWQAS-CHWSQXEVSA-N 2 2 283.391 0.830 20 0 CCADLP C[NH+](C)CC1(C(=O)N2C[C@H]3CC[N@@H+](CCF)C[C@H]32)CC1 ZINC001221772943 804842479 /nfs/dbraw/zinc/84/24/79/804842479.db2.gz SEWAPODWPMWQAS-CHWSQXEVSA-N 2 2 283.391 0.830 20 0 CCADLP Cc1csc(CN2CC[NH2+]C3(CC[NH2+]CC3)C2)n1 ZINC001222086059 804865065 /nfs/dbraw/zinc/86/50/65/804865065.db2.gz RQHNTHXTUVVLDR-UHFFFAOYSA-N 2 2 266.414 0.979 20 0 CCADLP COCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001222098004 804867585 /nfs/dbraw/zinc/86/75/85/804867585.db2.gz CHOWTZIKLFTYIL-ZIAGYGMSSA-N 2 2 292.383 0.452 20 0 CCADLP COCCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001222098004 804867591 /nfs/dbraw/zinc/86/75/91/804867591.db2.gz CHOWTZIKLFTYIL-ZIAGYGMSSA-N 2 2 292.383 0.452 20 0 CCADLP C[C@H](O)CCC[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222098948 804868119 /nfs/dbraw/zinc/86/81/19/804868119.db2.gz QEDUAZLKSMRFEQ-UONOGXRCSA-N 2 2 294.399 0.625 20 0 CCADLP CC(C)OCC[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222097874 804868433 /nfs/dbraw/zinc/86/84/33/804868433.db2.gz IGRFREXSOZGCSE-CQSZACIVSA-N 2 2 294.399 0.889 20 0 CCADLP c1[nH+]c(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)n2ccccc12 ZINC001222492189 804905975 /nfs/dbraw/zinc/90/59/75/804905975.db2.gz QCTWFYCAYKHWPD-GJZGRUSLSA-N 3 2 285.395 0.860 20 0 CCADLP c1nc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)n2ccccc12 ZINC001222492189 804905982 /nfs/dbraw/zinc/90/59/82/804905982.db2.gz QCTWFYCAYKHWPD-GJZGRUSLSA-N 2 2 285.395 0.860 20 0 CCADLP Oc1cnc(Cl)cc1CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222506729 804910464 /nfs/dbraw/zinc/91/04/64/804910464.db2.gz CMFJTLBWTNJSPR-RYUDHWBXSA-N 2 2 296.802 0.966 20 0 CCADLP C[C@H](O)C[NH+]1CCC(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001223986932 805000969 /nfs/dbraw/zinc/00/09/69/805000969.db2.gz BMMSWPLUYMICDT-ZDUSSCGKSA-N 2 2 294.399 0.482 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1CC[NH+](CCF)CC1 ZINC001225664834 805148534 /nfs/dbraw/zinc/14/85/34/805148534.db2.gz AWSGDVRDAVKOHY-UHFFFAOYSA-N 2 2 268.336 0.681 20 0 CCADLP CCCC[C@H](O)C[NH2+][C@@H](CCCC[NH3+])C(=O)OC ZINC001245979941 807105388 /nfs/dbraw/zinc/10/53/88/807105388.db2.gz YKAGLWAASNONQQ-RYUDHWBXSA-N 2 2 260.378 0.798 20 0 CCADLP CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCc2c[nH+]cn2C)C1 ZINC000989735555 815091881 /nfs/dbraw/zinc/09/18/81/815091881.db2.gz CEWLMDLTLNYLJE-VXGBXAGGSA-N 2 2 264.373 0.952 20 0 CCADLP [NH3+][C@]12CC[C@@H]1C[N@H+](C[C@H](O)COc1ccc(F)cc1)C2 ZINC001246047191 807133291 /nfs/dbraw/zinc/13/32/91/807133291.db2.gz QLGQFDQWDNDHRS-ZLDLUXBVSA-N 2 2 280.343 0.989 20 0 CCADLP [NH3+][C@]12CC[C@@H]1C[N@@H+](C[C@H](O)COc1ccc(F)cc1)C2 ZINC001246047191 807133294 /nfs/dbraw/zinc/13/32/94/807133294.db2.gz QLGQFDQWDNDHRS-ZLDLUXBVSA-N 2 2 280.343 0.989 20 0 CCADLP CC(C)c1nc(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)no1 ZINC001246121991 807159781 /nfs/dbraw/zinc/15/97/81/807159781.db2.gz DFWFTHZIVZWMGC-SNVBAGLBSA-N 2 2 265.361 0.377 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]C[C@@H]2[C@H](N[C@H]3CC[C@@H](C)[NH2+]C3)CC[C@@H]21 ZINC001246148127 807167488 /nfs/dbraw/zinc/16/74/88/807167488.db2.gz DVNKIBXKYZRYII-DBWOOVFOSA-N 2 2 295.427 0.646 20 0 CCADLP COCCn1c[nH+]cc1CN[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246240962 807196409 /nfs/dbraw/zinc/19/64/09/807196409.db2.gz SZUFSLLGRIUCJL-NWDGAFQWSA-N 2 2 252.362 0.760 20 0 CCADLP C[C@H](Cc1ccccc1F)[NH2+][C@H]1C[NH2+]C[C@H]1CO ZINC001246299917 807213307 /nfs/dbraw/zinc/21/33/07/807213307.db2.gz OEMBLRACEUEQBD-OSMZGAPFSA-N 2 2 252.333 0.927 20 0 CCADLP FC(F)(C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)c1ccccn1 ZINC001246302390 807215389 /nfs/dbraw/zinc/21/53/89/807215389.db2.gz YFNYDCFTOQJGKO-LLVKDONJSA-N 2 2 282.338 0.857 20 0 CCADLP COC(=O)[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H](C(=O)OC)C1 ZINC001246401524 807243605 /nfs/dbraw/zinc/24/36/05/807243605.db2.gz MMQINBACSGMNAE-MXWKQRLJSA-N 2 2 272.345 0.198 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CC(=O)OC(C)(C)C)C(N)=O)CC[NH2+]1 ZINC001246441373 807251411 /nfs/dbraw/zinc/25/14/11/807251411.db2.gz CSAGMMUBXBLQPW-VWYCJHECSA-N 2 2 285.388 0.302 20 0 CCADLP COc1cccc2c1C[C@H]([NH2+]CCC[NH2+]CCC[NH3+])CO2 ZINC001246454316 807253997 /nfs/dbraw/zinc/25/39/97/807253997.db2.gz RNPNIZUOIQUXEH-ZDUSSCGKSA-N 3 2 293.411 0.917 20 0 CCADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246464736 807257752 /nfs/dbraw/zinc/25/77/52/807257752.db2.gz GEYIKPLDDAEFPF-OBJOEFQTSA-N 2 2 294.399 0.624 20 0 CCADLP NC1=CC=C(C2CC[NH+]([C@H]3CCC[NH2+]C3)CC2)[NH2+]C1 ZINC001246492877 807265144 /nfs/dbraw/zinc/26/51/44/807265144.db2.gz DPBSCDOGSJUHCK-AWEZNQCLSA-N 3 2 262.401 0.780 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+](CCF)C1 ZINC001278451378 807265360 /nfs/dbraw/zinc/26/53/60/807265360.db2.gz VWXJVFWTBKBNMS-ZDUSSCGKSA-N 2 2 259.369 0.877 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@@]1(C)CC[NH+](CCF)C1 ZINC001278451378 807265367 /nfs/dbraw/zinc/26/53/67/807265367.db2.gz VWXJVFWTBKBNMS-ZDUSSCGKSA-N 2 2 259.369 0.877 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@@]1(C)CC[N@H+](CCF)C1 ZINC001278451378 807265372 /nfs/dbraw/zinc/26/53/72/807265372.db2.gz VWXJVFWTBKBNMS-ZDUSSCGKSA-N 2 2 259.369 0.877 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@@]1(C)CC[N@@H+](CCF)C1 ZINC001278451378 807265376 /nfs/dbraw/zinc/26/53/76/807265376.db2.gz VWXJVFWTBKBNMS-ZDUSSCGKSA-N 2 2 259.369 0.877 20 0 CCADLP COC(=O)C1C[C@@H]2CC([N@@H+]3CCC[C@H]([NH3+])CC3)C[C@H](C1)[NH2+]2 ZINC001246540123 807276515 /nfs/dbraw/zinc/27/65/15/807276515.db2.gz FSVIXKXZMFLFGN-QFSHSQKFSA-N 2 2 295.427 0.872 20 0 CCADLP COC(=O)C1C[C@@H]2CC([N@H+]3CCC[C@H]([NH3+])CC3)C[C@H](C1)[NH2+]2 ZINC001246540123 807276521 /nfs/dbraw/zinc/27/65/21/807276521.db2.gz FSVIXKXZMFLFGN-QFSHSQKFSA-N 3 2 295.427 0.872 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCN(c3cnccn3)CC2)CC[NH2+]1 ZINC001246536458 807276667 /nfs/dbraw/zinc/27/66/67/807276667.db2.gz FTDZEXADWSPQHS-OLZOCXBDSA-N 2 2 261.373 0.739 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N2CC[NH+](C3CCCCC3)CC2)C[NH2+]1 ZINC001246536139 807277910 /nfs/dbraw/zinc/27/79/10/807277910.db2.gz BZVQYZSPGLZGCD-CABCVRRESA-N 2 2 295.427 0.840 20 0 CCADLP COC(=O)[C@H]1CCC[C@H]([N@@H+]2C[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246558876 807288124 /nfs/dbraw/zinc/28/81/24/807288124.db2.gz RNRIRWUWEQULNU-NNYUYHANSA-N 2 2 256.346 0.112 20 0 CCADLP COC(=O)[C@H]1CCC[C@H]([N@H+]2C[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246558876 807288127 /nfs/dbraw/zinc/28/81/27/807288127.db2.gz RNRIRWUWEQULNU-NNYUYHANSA-N 2 2 256.346 0.112 20 0 CCADLP [NH3+][C@@H]1C[N@@H+]([C@@H]2CCN(Cc3ccccc3)C(=O)C2)C[C@H]1O ZINC001246562306 807290674 /nfs/dbraw/zinc/29/06/74/807290674.db2.gz ZKIBVEVRROUMCO-RBSFLKMASA-N 2 2 289.379 0.181 20 0 CCADLP [NH3+][C@@H]1C[N@H+]([C@@H]2CCN(Cc3ccccc3)C(=O)C2)C[C@H]1O ZINC001246562306 807290677 /nfs/dbraw/zinc/29/06/77/807290677.db2.gz ZKIBVEVRROUMCO-RBSFLKMASA-N 2 2 289.379 0.181 20 0 CCADLP CC(C)[C@@H]1C[C@H]([N@@H+]2CCCC[C@](O)(C[NH3+])C2)CC[NH2+]1 ZINC001246565899 807292411 /nfs/dbraw/zinc/29/24/11/807292411.db2.gz ZWQJLCPPHWSJPT-ILXRZTDVSA-N 3 2 269.433 0.939 20 0 CCADLP CC(C)[C@@H]1C[C@H]([N@H+]2CCCC[C@](O)(C[NH3+])C2)CC[NH2+]1 ZINC001246565899 807292414 /nfs/dbraw/zinc/29/24/14/807292414.db2.gz ZWQJLCPPHWSJPT-ILXRZTDVSA-N 3 2 269.433 0.939 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C[C@H]1O ZINC001246583670 807304730 /nfs/dbraw/zinc/30/47/30/807304730.db2.gz KVQFDDQXFYTALJ-DOTOQJQBSA-N 3 2 289.423 0.902 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C[C@H]1O ZINC001246583670 807304738 /nfs/dbraw/zinc/30/47/38/807304738.db2.gz KVQFDDQXFYTALJ-DOTOQJQBSA-N 3 2 289.423 0.902 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N2CCC[C@@]23CCC[NH2+]CC3)C[NH2+]1 ZINC001246606064 807319163 /nfs/dbraw/zinc/31/91/63/807319163.db2.gz LUPXWOAUONBXEP-VNHYZAJKSA-N 2 2 281.400 0.498 20 0 CCADLP C1[NH2+]CC12C[C@H]([N@@H+]1CCC[C@@]3(CCC[NH2+]3)CC1)CCN2 ZINC001246630327 807335517 /nfs/dbraw/zinc/33/55/17/807335517.db2.gz ILSVMYWMNYAMNT-CABCVRRESA-N 3 2 278.444 0.689 20 0 CCADLP C1[NH2+]CC12C[C@H]([N@H+]1CCC[C@@]3(CCC[NH2+]3)CC1)CCN2 ZINC001246630327 807335526 /nfs/dbraw/zinc/33/55/26/807335526.db2.gz ILSVMYWMNYAMNT-CABCVRRESA-N 3 2 278.444 0.689 20 0 CCADLP Cc1noc([C@]23COC[C@H]2C[N@@H+]([C@H]2CC[C@H](C)[NH2+]C2)C3)n1 ZINC001246725788 807365382 /nfs/dbraw/zinc/36/53/82/807365382.db2.gz NFKYFYXXLJCFGW-QMPIGLIWSA-N 2 2 292.383 0.718 20 0 CCADLP Cc1noc([C@]23COC[C@H]2C[N@H+]([C@H]2CC[C@H](C)[NH2+]C2)C3)n1 ZINC001246725788 807365390 /nfs/dbraw/zinc/36/53/90/807365390.db2.gz NFKYFYXXLJCFGW-QMPIGLIWSA-N 2 2 292.383 0.718 20 0 CCADLP CC(=O)N1CCC2(CC1)C[N@H+]([C@@H]1CC[NH2+][C@@H](C)C1)CCO2 ZINC001246722758 807367115 /nfs/dbraw/zinc/36/71/15/807367115.db2.gz SEUYDVIAIXBXLA-DZGCQCFKSA-N 2 2 295.427 0.840 20 0 CCADLP CC(=O)N1CCC2(CC1)C[N@@H+]([C@@H]1CC[NH2+][C@@H](C)C1)CCO2 ZINC001246722758 807367124 /nfs/dbraw/zinc/36/71/24/807367124.db2.gz SEUYDVIAIXBXLA-DZGCQCFKSA-N 2 2 295.427 0.840 20 0 CCADLP CCN(CC[NH+]1CCCC1)[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246793158 807380898 /nfs/dbraw/zinc/38/08/98/807380898.db2.gz AXWPDHHANNQSAG-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP CCCCC[NH+]1CCN([C@@H]2C[NH2+][C@H](C(=O)OC)C2)CC1 ZINC001246791117 807381758 /nfs/dbraw/zinc/38/17/58/807381758.db2.gz QCGDPSUUCKIPFI-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP c1cn(C2CC[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)CC2)c[nH+]1 ZINC001246844243 807403876 /nfs/dbraw/zinc/40/38/76/807403876.db2.gz IIDDPIQIBANULI-CQSZACIVSA-N 3 2 275.400 0.614 20 0 CCADLP C[C@@H]1CC[C@H]([NH+]2CCC3(CC2)CNC(=O)CO3)C[NH2+]1 ZINC001246879999 807419650 /nfs/dbraw/zinc/41/96/50/807419650.db2.gz OABFOEANSLOZPN-NEPJUHHUSA-N 2 2 267.373 0.108 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C2CCC3(CCC[NH2+]C3)CC2)C[C@H]1[NH3+] ZINC001246929104 807432482 /nfs/dbraw/zinc/43/24/82/807432482.db2.gz CNXCLHDAJWZBBF-MYMJJRTCSA-N 3 2 295.427 0.731 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C[C@H]1[NH3+] ZINC001246929104 807432485 /nfs/dbraw/zinc/43/24/85/807432485.db2.gz CNXCLHDAJWZBBF-MYMJJRTCSA-N 3 2 295.427 0.731 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+]([C@@H]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1[NH3+] ZINC001246932507 807433980 /nfs/dbraw/zinc/43/39/80/807433980.db2.gz PRKDCEPSFOZFCS-IYKVGLELSA-N 2 2 256.346 0.375 20 0 CCADLP COC(=O)[C@@H]1C[N@H+]([C@@H]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1[NH3+] ZINC001246932507 807433982 /nfs/dbraw/zinc/43/39/82/807433982.db2.gz PRKDCEPSFOZFCS-IYKVGLELSA-N 2 2 256.346 0.375 20 0 CCADLP COC(=O)CC1CCC([N@@H+]2C[C@H]([NH3+])[C@@H](C(=O)OC)C2)CC1 ZINC001246935866 807436276 /nfs/dbraw/zinc/43/62/76/807436276.db2.gz ZGSCFQOKQHMMKZ-TYUFSLCMSA-N 2 2 298.383 0.540 20 0 CCADLP COC(=O)CC1CCC([N@H+]2C[C@H]([NH3+])[C@@H](C(=O)OC)C2)CC1 ZINC001246935866 807436277 /nfs/dbraw/zinc/43/62/77/807436277.db2.gz ZGSCFQOKQHMMKZ-TYUFSLCMSA-N 2 2 298.383 0.540 20 0 CCADLP CC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001042756002 815133278 /nfs/dbraw/zinc/13/32/78/815133278.db2.gz IOGLELKOAFTLPT-YPMHNXCESA-N 2 2 267.373 0.012 20 0 CCADLP CC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001042756002 815133281 /nfs/dbraw/zinc/13/32/81/815133281.db2.gz IOGLELKOAFTLPT-YPMHNXCESA-N 2 2 267.373 0.012 20 0 CCADLP [NH2+]=C(NC[C@H](O)C[NH+]1CCOCC1)c1ccc(Cl)nc1 ZINC001251036166 807650276 /nfs/dbraw/zinc/65/02/76/807650276.db2.gz ZZQGUMUMVKFBLP-NSHDSACASA-N 2 2 298.774 0.343 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])NC[C@H](O)COc2ccccc2)CC1 ZINC001251239285 807676470 /nfs/dbraw/zinc/67/64/70/807676470.db2.gz VIPQSHJVXSURMR-ZDUSSCGKSA-N 2 2 292.383 0.198 20 0 CCADLP OC[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC001252071234 807791144 /nfs/dbraw/zinc/79/11/44/807791144.db2.gz DLRPMLGOUKZENL-HOTGVXAUSA-N 2 2 278.396 0.636 20 0 CCADLP COC(=O)[C@H](O)C[NH2+]CCSCc1[nH]c[nH+]c1C ZINC001252441040 807856874 /nfs/dbraw/zinc/85/68/74/807856874.db2.gz WZUKWISIZYHBLK-SNVBAGLBSA-N 2 2 273.358 0.075 20 0 CCADLP COC[C@@H](O)C[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001252815683 807966496 /nfs/dbraw/zinc/96/64/96/807966496.db2.gz USHDXXOGMLDPTL-JYJNAYRXSA-N 2 2 291.395 0.453 20 0 CCADLP OCC1C[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001252930514 807986007 /nfs/dbraw/zinc/98/60/07/807986007.db2.gz WSXXDXACKINUCS-MRXNPFEDSA-N 2 2 276.380 0.548 20 0 CCADLP OCC1C[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001252930514 807986009 /nfs/dbraw/zinc/98/60/09/807986009.db2.gz WSXXDXACKINUCS-MRXNPFEDSA-N 2 2 276.380 0.548 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001253203627 808029032 /nfs/dbraw/zinc/02/90/32/808029032.db2.gz JZBOANKTPAYQCN-CQSZACIVSA-N 2 2 279.384 0.578 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@@H](O)c1cccnc1 ZINC001253209154 808032759 /nfs/dbraw/zinc/03/27/59/808032759.db2.gz YLTRGSYOZCDVSJ-ZIAGYGMSSA-N 2 2 267.373 0.407 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H](C(N)=O)C(C)(C)C ZINC001253210950 808033578 /nfs/dbraw/zinc/03/35/78/808033578.db2.gz QFQLLAZOVDEWOE-WDEREUQCSA-N 2 2 259.394 0.179 20 0 CCADLP CC(C)C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C[C@H]21 ZINC001253391562 808053965 /nfs/dbraw/zinc/05/39/65/808053965.db2.gz REVDYQBHKFSAPT-MQYQWHSLSA-N 2 2 297.443 0.438 20 0 CCADLP CC(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C[C@H]21 ZINC001253391562 808053977 /nfs/dbraw/zinc/05/39/77/808053977.db2.gz REVDYQBHKFSAPT-MQYQWHSLSA-N 2 2 297.443 0.438 20 0 CCADLP CC(=O)N(C)[C@H]1CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C1 ZINC001253396405 808056919 /nfs/dbraw/zinc/05/69/19/808056919.db2.gz ZIJGOUGGIGTOII-QWHCGFSZSA-N 2 2 271.405 0.288 20 0 CCADLP CC(=O)N(C)[C@H]1CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C1 ZINC001253396405 808056926 /nfs/dbraw/zinc/05/69/26/808056926.db2.gz ZIJGOUGGIGTOII-QWHCGFSZSA-N 2 2 271.405 0.288 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CCNC(=O)C(F)(F)F ZINC001253403814 808057858 /nfs/dbraw/zinc/05/78/58/808057858.db2.gz KMNWFHHDIAAGLQ-QMMMGPOBSA-N 2 2 285.310 0.004 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C[C@@H](O)C(F)(F)F ZINC001253406283 808059507 /nfs/dbraw/zinc/05/95/07/808059507.db2.gz FJNMWTGWQCMVNB-JGVFFNPUSA-N 2 2 258.284 0.248 20 0 CCADLP CC(=O)N1CCC([N@@H+](CCC[NH3+])CCC[NH+](C)C)CC1 ZINC001254418351 808238125 /nfs/dbraw/zinc/23/81/25/808238125.db2.gz VSBYIKPRZYBKPD-UHFFFAOYSA-N 3 2 284.448 0.600 20 0 CCADLP CC(=O)N1CCC([N@H+](CCC[NH3+])CCC[NH+](C)C)CC1 ZINC001254418351 808238133 /nfs/dbraw/zinc/23/81/33/808238133.db2.gz VSBYIKPRZYBKPD-UHFFFAOYSA-N 3 2 284.448 0.600 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254532776 808256006 /nfs/dbraw/zinc/25/60/06/808256006.db2.gz WQXSGPYLZVYGGS-CABCVRRESA-N 3 2 296.459 0.613 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254532776 808256012 /nfs/dbraw/zinc/25/60/12/808256012.db2.gz WQXSGPYLZVYGGS-CABCVRRESA-N 3 2 296.459 0.613 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[NH+]([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254532776 808256015 /nfs/dbraw/zinc/25/60/15/808256015.db2.gz WQXSGPYLZVYGGS-CABCVRRESA-N 3 2 296.459 0.613 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[NH+]([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254532776 808256020 /nfs/dbraw/zinc/25/60/20/808256020.db2.gz WQXSGPYLZVYGGS-CABCVRRESA-N 3 2 296.459 0.613 20 0 CCADLP C[N@@H+]1CCC[C@@H]([NH+]2CCN(c3ncncn3)CC2)CC1 ZINC001254531362 808257090 /nfs/dbraw/zinc/25/70/90/808257090.db2.gz KESNLLVJTJPLRE-CYBMUJFWSA-N 2 2 276.388 0.478 20 0 CCADLP C[N@H+]1CCC[C@@H]([NH+]2CCN(c3ncncn3)CC2)CC1 ZINC001254531362 808257096 /nfs/dbraw/zinc/25/70/96/808257096.db2.gz KESNLLVJTJPLRE-CYBMUJFWSA-N 2 2 276.388 0.478 20 0 CCADLP O=C1COC2(CC[NH+]([C@@H]3CC4CC[NH+](CC4)C3)CC2)CN1 ZINC001254864509 808291434 /nfs/dbraw/zinc/29/14/34/808291434.db2.gz QTYPUKZBTNIXLZ-CQSZACIVSA-N 2 2 293.411 0.452 20 0 CCADLP O=C1NC(=O)C2(CC[NH+]([C@@H]3CC4CC[NH+](CC4)C3)CC2)N1 ZINC001254865101 808291568 /nfs/dbraw/zinc/29/15/68/808291568.db2.gz XDRYDFQBSIJQLS-GFCCVEGCSA-N 2 2 292.383 0.145 20 0 CCADLP CN(C[C@H](O)C[NH2+]C/C=C\Cl)C(=O)Cc1[nH]cc[nH+]1 ZINC001278823723 808294606 /nfs/dbraw/zinc/29/46/06/808294606.db2.gz QFZLZLSTYDVSAE-MXQLGCADSA-N 2 2 286.763 0.114 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NCc2ccc[nH+]c2N)CC[N@@H+]1C ZINC001255628623 808416191 /nfs/dbraw/zinc/41/61/91/808416191.db2.gz HEEJRCHEGAFCNI-MWLCHTKSSA-N 2 2 263.345 0.556 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NCc2ccc[nH+]c2N)CC[N@H+]1C ZINC001255628623 808416198 /nfs/dbraw/zinc/41/61/98/808416198.db2.gz HEEJRCHEGAFCNI-MWLCHTKSSA-N 2 2 263.345 0.556 20 0 CCADLP C[NH+]1CCC([NH2+]Cc2ccc(N3CCOCC3)nn2)CC1 ZINC001256197300 808475905 /nfs/dbraw/zinc/47/59/05/808475905.db2.gz FDOVVGZXWCMMBC-UHFFFAOYSA-N 2 2 291.399 0.497 20 0 CCADLP CCNC(=O)CO[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001256209587 808481181 /nfs/dbraw/zinc/48/11/81/808481181.db2.gz YWPGECPEVUWLSQ-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP CCNC(=O)CO[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001256209587 808481184 /nfs/dbraw/zinc/48/11/84/808481184.db2.gz YWPGECPEVUWLSQ-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+]1CCC2(C[NH+](C3CCS(=O)(=O)CC3)C2)CC1 ZINC001256392221 808523511 /nfs/dbraw/zinc/52/35/11/808523511.db2.gz MSFQBEYNOPTQAJ-UHFFFAOYSA-N 2 2 272.414 0.591 20 0 CCADLP CC(C)C[NH+]1CCC([N@@H+]2CCNC(=O)CC2)CC1 ZINC001258011002 808648733 /nfs/dbraw/zinc/64/87/33/808648733.db2.gz GOOUHZJRHOCJFD-UHFFFAOYSA-N 2 2 253.390 0.929 20 0 CCADLP CC(C)C[NH+]1CCC([N@H+]2CCNC(=O)CC2)CC1 ZINC001258011002 808648734 /nfs/dbraw/zinc/64/87/34/808648734.db2.gz GOOUHZJRHOCJFD-UHFFFAOYSA-N 2 2 253.390 0.929 20 0 CCADLP CC[N@@H+]1CCO[C@@H]2C[NH+]([C@@H](C)CCC(=O)OC)C[C@@H]2C1 ZINC001258371196 808678361 /nfs/dbraw/zinc/67/83/61/808678361.db2.gz PJGTVWFAVUVNLU-MELADBBJSA-N 2 2 284.400 0.981 20 0 CCADLP CC[N@H+]1CCO[C@@H]2C[NH+]([C@@H](C)CCC(=O)OC)C[C@@H]2C1 ZINC001258371196 808678364 /nfs/dbraw/zinc/67/83/64/808678364.db2.gz PJGTVWFAVUVNLU-MELADBBJSA-N 2 2 284.400 0.981 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@@H+]([C@@H](C)CCC(=O)OC)C[C@@H]2C1 ZINC001258371196 808678367 /nfs/dbraw/zinc/67/83/67/808678367.db2.gz PJGTVWFAVUVNLU-MELADBBJSA-N 2 2 284.400 0.981 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@H+]([C@@H](C)CCC(=O)OC)C[C@@H]2C1 ZINC001258371196 808678371 /nfs/dbraw/zinc/67/83/71/808678371.db2.gz PJGTVWFAVUVNLU-MELADBBJSA-N 2 2 284.400 0.981 20 0 CCADLP COC[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076295238 815273781 /nfs/dbraw/zinc/27/37/81/815273781.db2.gz GOUZMTSCQLTRLR-SGMGOOAPSA-N 2 2 292.383 0.520 20 0 CCADLP COC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076295238 815273784 /nfs/dbraw/zinc/27/37/84/815273784.db2.gz GOUZMTSCQLTRLR-SGMGOOAPSA-N 2 2 292.383 0.520 20 0 CCADLP 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CC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](COCCOC)C[C@H]21 ZINC001271081046 814142463 /nfs/dbraw/zinc/14/24/63/814142463.db2.gz KGKYSVCESYBKBJ-UONOGXRCSA-N 2 2 299.415 0.091 20 0 CCADLP COCC[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001271120054 814161621 /nfs/dbraw/zinc/16/16/21/814161621.db2.gz DUXFXKWOKIPLPH-JTQLQIEISA-N 2 2 254.334 0.035 20 0 CCADLP COCC[NH2+][C@@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001203441628 814175314 /nfs/dbraw/zinc/17/53/14/814175314.db2.gz CNMDEUJVFGQYNC-OLZOCXBDSA-N 2 2 292.383 0.616 20 0 CCADLP CC(C)[NH2+]C[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000985035080 814388102 /nfs/dbraw/zinc/38/81/02/814388102.db2.gz RIQCAQNIEUZSIK-HAQNSBGRSA-N 2 2 264.373 0.855 20 0 CCADLP COCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001271498327 814465847 /nfs/dbraw/zinc/46/58/47/814465847.db2.gz GRCPDSQPSUSYGY-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP COCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001271498327 814465853 /nfs/dbraw/zinc/46/58/53/814465853.db2.gz GRCPDSQPSUSYGY-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C[NH2+]CCCF ZINC001271686316 814513873 /nfs/dbraw/zinc/51/38/73/814513873.db2.gz XEBRBAHWYGDNLR-NEPJUHHUSA-N 2 2 282.363 0.996 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CCCO)C1 ZINC001271701359 814517228 /nfs/dbraw/zinc/51/72/28/814517228.db2.gz XFSZUKQHNIDKQP-YPMHNXCESA-N 2 2 294.399 0.327 20 0 CCADLP CC(C)=CC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001083645059 815592429 /nfs/dbraw/zinc/59/24/29/815592429.db2.gz JESXBSNSGMUVCT-KGLIPLIRSA-N 2 2 292.383 0.319 20 0 CCADLP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001083645059 815592433 /nfs/dbraw/zinc/59/24/33/815592433.db2.gz JESXBSNSGMUVCT-KGLIPLIRSA-N 2 2 292.383 0.319 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001083645417 815592919 /nfs/dbraw/zinc/59/29/19/815592919.db2.gz ZNLJINNDBAYRJN-DQOJRVPBSA-N 2 2 298.774 0.105 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001083645417 815592925 /nfs/dbraw/zinc/59/29/25/815592925.db2.gz ZNLJINNDBAYRJN-DQOJRVPBSA-N 2 2 298.774 0.105 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC1C[NH+](C[C@@H]2CCCCO2)C1 ZINC001030160104 815849642 /nfs/dbraw/zinc/84/96/42/815849642.db2.gz ASFNJZJIVOQEQB-UONOGXRCSA-N 2 2 281.400 0.450 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NC1C[NH+](C[C@@H]2CCCCO2)C1 ZINC001030160104 815849647 /nfs/dbraw/zinc/84/96/47/815849647.db2.gz ASFNJZJIVOQEQB-UONOGXRCSA-N 2 2 281.400 0.450 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001030321753 815976392 /nfs/dbraw/zinc/97/63/92/815976392.db2.gz NEJNWVUCPJFACL-SMDDNHRTSA-N 2 2 281.400 0.164 20 0 CCADLP CC[C@@H](C(=O)NC[C@H](O)CNc1cc[nH+]c(C)n1)[NH+](C)C ZINC001105925922 816001454 /nfs/dbraw/zinc/00/14/54/816001454.db2.gz JMNOYNVIISPOAE-NEPJUHHUSA-N 2 2 295.387 0.014 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001030512246 816078933 /nfs/dbraw/zinc/07/89/33/816078933.db2.gz QDLQBYLTGDOCJV-ZDUSSCGKSA-N 2 2 295.427 0.698 20 0 CCADLP CC(C)(C)CC[NH2+]CCN(CCO)C(=O)Cc1[nH]cc[nH+]1 ZINC001272284532 816252809 /nfs/dbraw/zinc/25/28/09/816252809.db2.gz MMHNPWFIHGZNBG-UHFFFAOYSA-N 2 2 296.415 0.799 20 0 CCADLP CC[NH+]1CC(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001030737849 816257913 /nfs/dbraw/zinc/25/79/13/816257913.db2.gz MBISPIOMWSAFAY-ZDUSSCGKSA-N 2 2 251.374 0.681 20 0 CCADLP CC[NH+]1CC(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001031257201 816908339 /nfs/dbraw/zinc/90/83/39/816908339.db2.gz MBLGZSZHOKSVIF-WCQYABFASA-N 2 2 253.390 0.927 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC1C[NH+](CCC2CC2)C1 ZINC001031313660 816963284 /nfs/dbraw/zinc/96/32/84/816963284.db2.gz TUBYAJRMTULIIA-UHFFFAOYSA-N 2 2 262.357 0.861 20 0 CCADLP O=C(C[NH+]1CCCC1)NC1C[NH+](CC2CC(F)(F)C2)C1 ZINC001031389689 817022633 /nfs/dbraw/zinc/02/26/33/817022633.db2.gz WGOLLMUYQYMNQK-UHFFFAOYSA-N 2 2 287.354 0.928 20 0 CCADLP CO[C@@H](C[NH+]1CC(NC(=O)C[NH+]2CCCC2)C1)C1CCC1 ZINC001031390606 817024257 /nfs/dbraw/zinc/02/42/57/817024257.db2.gz QBXIYHWLHBYTPR-HNNXBMFYSA-N 2 2 295.427 0.698 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC1C[NH+](CCC2CC2)C1 ZINC001031390861 817024806 /nfs/dbraw/zinc/02/48/06/817024806.db2.gz XWIXPAVPWLJSSF-UHFFFAOYSA-N 2 2 262.357 0.792 20 0 CCADLP CC(C)C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](CCF)C2)C1 ZINC001031729337 817296167 /nfs/dbraw/zinc/29/61/67/817296167.db2.gz KSEIVIHASUNBBY-AWEZNQCLSA-N 2 2 285.407 0.982 20 0 CCADLP CC(C)C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](CCF)C2)C1 ZINC001031729337 817296172 /nfs/dbraw/zinc/29/61/72/817296172.db2.gz KSEIVIHASUNBBY-AWEZNQCLSA-N 2 2 285.407 0.982 20 0 CCADLP CC(C)[NH+]1CC(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001031783743 817364544 /nfs/dbraw/zinc/36/45/44/817364544.db2.gz FRBKHXOUQOEANL-CYBMUJFWSA-N 2 2 276.384 0.902 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)o1 ZINC001127643565 817414519 /nfs/dbraw/zinc/41/45/19/817414519.db2.gz AQFGSKWMJKGARP-HOSYDEDBSA-N 2 2 295.387 0.485 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)o1 ZINC001127643565 817414526 /nfs/dbraw/zinc/41/45/26/817414526.db2.gz AQFGSKWMJKGARP-HOSYDEDBSA-N 2 2 295.387 0.485 20 0 CCADLP CCC[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001031983149 817519899 /nfs/dbraw/zinc/51/98/99/817519899.db2.gz OGTDBOODJWWSKK-CHWSQXEVSA-N 2 2 276.384 0.982 20 0 CCADLP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC000996458648 817809203 /nfs/dbraw/zinc/80/92/03/817809203.db2.gz VTRAFWDCZXGWEO-WDEREUQCSA-N 2 2 280.372 0.160 20 0 CCADLP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001077691026 818009310 /nfs/dbraw/zinc/00/93/10/818009310.db2.gz JMZAFSLYPQPYKR-HKUMRIAESA-N 2 2 292.383 0.095 20 0 CCADLP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001077691026 818009322 /nfs/dbraw/zinc/00/93/22/818009322.db2.gz JMZAFSLYPQPYKR-HKUMRIAESA-N 2 2 292.383 0.095 20 0 CCADLP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cnc[nH]1 ZINC001273023737 818459817 /nfs/dbraw/zinc/45/98/17/818459817.db2.gz OTXVVQZHTYVUFM-ZIAGYGMSSA-N 2 2 291.399 0.537 20 0 CCADLP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cnc[nH]1 ZINC001273023737 818459823 /nfs/dbraw/zinc/45/98/23/818459823.db2.gz OTXVVQZHTYVUFM-ZIAGYGMSSA-N 2 2 291.399 0.537 20 0 CCADLP C[C@H](CC[NH2+]C[C@H]1CCCOC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001273044858 818521618 /nfs/dbraw/zinc/52/16/18/818521618.db2.gz PHVWQRJODZNTBT-CHWSQXEVSA-N 2 2 294.399 0.863 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2nc(Cl)ccc2N)CC1 ZINC001168737372 818564302 /nfs/dbraw/zinc/56/43/02/818564302.db2.gz ZVXVUKUMVKGEAG-UHFFFAOYSA-N 2 2 268.752 0.911 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001033592040 818841763 /nfs/dbraw/zinc/84/17/63/818841763.db2.gz XMHSCBLIYMPGGW-NWDGAFQWSA-N 2 2 294.399 0.601 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001033592040 818841766 /nfs/dbraw/zinc/84/17/66/818841766.db2.gz XMHSCBLIYMPGGW-NWDGAFQWSA-N 2 2 294.399 0.601 20 0 CCADLP O=C(N[C@H]1CCCC[N@@H+](CCO)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001034252007 819142780 /nfs/dbraw/zinc/14/27/80/819142780.db2.gz GEOJEERAONMHTL-YNEHKIRRSA-N 2 2 292.383 0.476 20 0 CCADLP O=C(N[C@H]1CCCC[N@H+](CCO)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001034252007 819142785 /nfs/dbraw/zinc/14/27/85/819142785.db2.gz GEOJEERAONMHTL-YNEHKIRRSA-N 2 2 292.383 0.476 20 0 CCADLP O=C(N[C@H]1CCCC[N@@H+](CCO)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001034252007 819142791 /nfs/dbraw/zinc/14/27/91/819142791.db2.gz GEOJEERAONMHTL-YNEHKIRRSA-N 2 2 292.383 0.476 20 0 CCADLP O=C(N[C@H]1CCCC[N@H+](CCO)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001034252007 819142793 /nfs/dbraw/zinc/14/27/93/819142793.db2.gz GEOJEERAONMHTL-YNEHKIRRSA-N 2 2 292.383 0.476 20 0 CCADLP CC(C)COCC[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128967368 819237960 /nfs/dbraw/zinc/23/79/60/819237960.db2.gz NSXXIISTWWXLRX-UHFFFAOYSA-N 2 2 282.388 0.721 20 0 CCADLP CC(C)COCC[NH2+]CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001128967368 819237967 /nfs/dbraw/zinc/23/79/67/819237967.db2.gz NSXXIISTWWXLRX-UHFFFAOYSA-N 2 2 282.388 0.721 20 0 CCADLP CC[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001034776003 819325088 /nfs/dbraw/zinc/32/50/88/819325088.db2.gz MXVNOBCXVLSRPV-HAQNSBGRSA-N 2 2 264.373 1.000 20 0 CCADLP CCCCOC(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710608653 819856354 /nfs/dbraw/zinc/85/63/54/819856354.db2.gz XLSZOWUYDXLREZ-UHFFFAOYSA-N 2 2 272.389 0.718 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2nccs2)C1 ZINC000710677838 819865054 /nfs/dbraw/zinc/86/50/54/819865054.db2.gz ZCVSRZOBEFNXLL-CHWSQXEVSA-N 2 2 299.440 0.872 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2nccs2)C1 ZINC000710677838 819865066 /nfs/dbraw/zinc/86/50/66/819865066.db2.gz ZCVSRZOBEFNXLL-CHWSQXEVSA-N 2 2 299.440 0.872 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000710677838 819865078 /nfs/dbraw/zinc/86/50/78/819865078.db2.gz ZCVSRZOBEFNXLL-CHWSQXEVSA-N 2 2 299.440 0.872 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000710677838 819865091 /nfs/dbraw/zinc/86/50/91/819865091.db2.gz ZCVSRZOBEFNXLL-CHWSQXEVSA-N 2 2 299.440 0.872 20 0 CCADLP Cn1c[nH+]cc1CN(Cc1ccccc1)[C@@H]1C[NH2+]C[C@H]1O ZINC000923561820 820099862 /nfs/dbraw/zinc/09/98/62/820099862.db2.gz MXTBFLUKPGAZGG-HZPDHXFCSA-N 2 2 286.379 0.755 20 0 CCADLP C[C@@H]1C[N@H+](CCCF)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001081036972 820669648 /nfs/dbraw/zinc/66/96/48/820669648.db2.gz KZEOJJUQFPUDNE-VXGBXAGGSA-N 2 2 268.336 0.679 20 0 CCADLP C[C@@H]1C[N@@H+](CCCF)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001081036972 820669649 /nfs/dbraw/zinc/66/96/49/820669649.db2.gz KZEOJJUQFPUDNE-VXGBXAGGSA-N 2 2 268.336 0.679 20 0 CCADLP CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@H]2C1 ZINC001083168850 821152871 /nfs/dbraw/zinc/15/28/71/821152871.db2.gz PVUPSGFVRINVKS-MELADBBJSA-N 2 2 281.400 0.402 20 0 CCADLP CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@H]2C1 ZINC001083168850 821152882 /nfs/dbraw/zinc/15/28/82/821152882.db2.gz PVUPSGFVRINVKS-MELADBBJSA-N 2 2 281.400 0.402 20 0 CCADLP CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@H]2C1 ZINC001083168850 821152888 /nfs/dbraw/zinc/15/28/88/821152888.db2.gz PVUPSGFVRINVKS-MELADBBJSA-N 2 2 281.400 0.402 20 0 CCADLP CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@H]2C1 ZINC001083168850 821152892 /nfs/dbraw/zinc/15/28/92/821152892.db2.gz PVUPSGFVRINVKS-MELADBBJSA-N 2 2 281.400 0.402 20 0 CCADLP C[C@@H](CC[NH2+]CCCF)NC(=O)Cn1cc[nH+]c1 ZINC001273211693 821158661 /nfs/dbraw/zinc/15/86/61/821158661.db2.gz BLBRPVWQMYAFAS-NSHDSACASA-N 2 2 256.325 0.727 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001084395080 821286514 /nfs/dbraw/zinc/28/65/14/821286514.db2.gz DJWUWWSFNNPFHC-YRGRVCCFSA-N 2 2 292.383 0.256 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001084395080 821286519 /nfs/dbraw/zinc/28/65/19/821286519.db2.gz DJWUWWSFNNPFHC-YRGRVCCFSA-N 2 2 292.383 0.256 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001084395080 821286524 /nfs/dbraw/zinc/28/65/24/821286524.db2.gz DJWUWWSFNNPFHC-YRGRVCCFSA-N 2 2 292.383 0.256 20 0 CCADLP CCCC[N@@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001099811312 821339190 /nfs/dbraw/zinc/33/91/90/821339190.db2.gz XTEDANYRDIZJOK-QWHCGFSZSA-N 2 2 294.399 0.694 20 0 CCADLP CCCC[N@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001099811312 821339200 /nfs/dbraw/zinc/33/92/00/821339200.db2.gz XTEDANYRDIZJOK-QWHCGFSZSA-N 2 2 294.399 0.694 20 0 CCADLP COCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001084775220 821386627 /nfs/dbraw/zinc/38/66/27/821386627.db2.gz XRMNTUCGXIKENI-TZMCWYRMSA-N 2 2 292.383 0.142 20 0 CCADLP COCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001084775220 821386637 /nfs/dbraw/zinc/38/66/37/821386637.db2.gz XRMNTUCGXIKENI-TZMCWYRMSA-N 2 2 292.383 0.142 20 0 CCADLP COC(=O)[C@H](O)C[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC000716166768 821548235 /nfs/dbraw/zinc/54/82/35/821548235.db2.gz GJKWPDZXTMLPAU-CQSZACIVSA-N 2 2 278.352 0.242 20 0 CCADLP COCC(C)(C)[NH+]1CCN(c2nc(N)cc(C)[nH+]2)CC1 ZINC000824339133 821625706 /nfs/dbraw/zinc/62/57/06/821625706.db2.gz JHKMOCMLGFYKSD-UHFFFAOYSA-N 2 2 279.388 0.914 20 0 CCADLP CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001086407220 822241323 /nfs/dbraw/zinc/24/13/23/822241323.db2.gz WIPDVSDLJVPXTK-JHJVBQTASA-N 2 2 276.384 0.950 20 0 CCADLP CCc1noc(C[NH2+]CCNC(=O)[C@H](C2CC2)[NH+](C)C)n1 ZINC001129444871 837506842 /nfs/dbraw/zinc/50/68/42/837506842.db2.gz ZZOITHMKOKIMFA-ZDUSSCGKSA-N 2 2 295.387 0.178 20 0 CCADLP O=C(NCC[NH2+]CC[C@H]1CCCO1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129891716 837575941 /nfs/dbraw/zinc/57/59/41/837575941.db2.gz RXHGIGUQJMPPBM-JHJVBQTASA-N 2 2 292.383 0.788 20 0 CCADLP O=C(NCC[NH2+]CC[C@H]1CCCO1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129891716 837575945 /nfs/dbraw/zinc/57/59/45/837575945.db2.gz RXHGIGUQJMPPBM-JHJVBQTASA-N 2 2 292.383 0.788 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C)nc1 ZINC001129946980 837598116 /nfs/dbraw/zinc/59/81/16/837598116.db2.gz CZJIFSRIBJQRNF-AWEZNQCLSA-N 2 2 293.415 0.577 20 0 CCADLP CC(C)C[C@H](C(=O)NCC[NH2+]CCCO)n1cc[nH+]c1 ZINC001130006323 837613534 /nfs/dbraw/zinc/61/35/34/837613534.db2.gz CASYVFQIZSMWOM-CYBMUJFWSA-N 2 2 282.388 0.559 20 0 CCADLP CCCC[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130481034 837805031 /nfs/dbraw/zinc/80/50/31/837805031.db2.gz IQGWNAXXZHSYHT-GFCCVEGCSA-N 2 2 264.373 0.951 20 0 CCADLP O=C(NCC[NH2+]CC1CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130487200 837807209 /nfs/dbraw/zinc/80/72/09/837807209.db2.gz CPIUFSHUBMYLPP-GFCCVEGCSA-N 2 2 262.357 0.561 20 0 CCADLP CO[C@H](C)C[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130487522 837812263 /nfs/dbraw/zinc/81/22/63/837812263.db2.gz HGUZPZDOYGAIIO-NEPJUHHUSA-N 2 2 280.372 0.186 20 0 CCADLP COC(=O)c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c(C)c1 ZINC001169073842 836126733 /nfs/dbraw/zinc/12/67/33/836126733.db2.gz MZNINSXWYBOKBG-GFCCVEGCSA-N 2 2 289.335 0.829 20 0 CCADLP C[NH+](C)CCN1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169125575 836141419 /nfs/dbraw/zinc/14/14/19/836141419.db2.gz JDZNXFREJCCBKX-MUJYYYPQSA-N 3 2 280.460 0.791 20 0 CCADLP C[NH+](C)CCN1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169125575 836141424 /nfs/dbraw/zinc/14/14/24/836141424.db2.gz JDZNXFREJCCBKX-MUJYYYPQSA-N 3 2 280.460 0.791 20 0 CCADLP C[NH+](C)CCN1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169125576 836141935 /nfs/dbraw/zinc/14/19/35/836141935.db2.gz JDZNXFREJCCBKX-ZSHCYNCHSA-N 3 2 280.460 0.791 20 0 CCADLP C[NH+](C)CCN1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169125576 836141939 /nfs/dbraw/zinc/14/19/39/836141939.db2.gz JDZNXFREJCCBKX-ZSHCYNCHSA-N 3 2 280.460 0.791 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CN(c3ccncn3)C1)C2 ZINC001169109545 836149534 /nfs/dbraw/zinc/14/95/34/836149534.db2.gz DBTOSHFUMVLHND-DEZZGGKRSA-N 2 2 273.384 0.880 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CN(c3ccncn3)C1)C2 ZINC001169109545 836149541 /nfs/dbraw/zinc/14/95/41/836149541.db2.gz DBTOSHFUMVLHND-DEZZGGKRSA-N 2 2 273.384 0.880 20 0 CCADLP CC[NH+]1CCC([N@@H+]2CCCO[C@H](C(=O)OC)C2)CC1 ZINC001169262180 836168167 /nfs/dbraw/zinc/16/81/67/836168167.db2.gz VMLAWRVURIIXNN-ZDUSSCGKSA-N 2 2 270.373 0.735 20 0 CCADLP CC[NH+]1CCC([N@H+]2CCCO[C@H](C(=O)OC)C2)CC1 ZINC001169262180 836168169 /nfs/dbraw/zinc/16/81/69/836168169.db2.gz VMLAWRVURIIXNN-ZDUSSCGKSA-N 2 2 270.373 0.735 20 0 CCADLP Cn1nccc1CC[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169205295 836168869 /nfs/dbraw/zinc/16/88/69/836168869.db2.gz XJIBSKVOLAMJCW-UHFFFAOYSA-N 2 2 290.371 0.024 20 0 CCADLP CC[NH+]1CCC(N[C@@H](Cc2c[nH+]cn2C)C(=O)OC)CC1 ZINC001169238712 836171440 /nfs/dbraw/zinc/17/14/40/836171440.db2.gz LMWDOACITRVWOJ-AWEZNQCLSA-N 2 2 294.399 0.578 20 0 CCADLP CC[NH+]1CCC([N@@H+]2CC[C@H](OCC(=O)OC)C2)CC1 ZINC001169269464 836189964 /nfs/dbraw/zinc/18/99/64/836189964.db2.gz WYGCMWQAHIKMHP-ZDUSSCGKSA-N 2 2 270.373 0.735 20 0 CCADLP CC[NH+]1CCC([N@H+]2CC[C@H](OCC(=O)OC)C2)CC1 ZINC001169269464 836189967 /nfs/dbraw/zinc/18/99/67/836189967.db2.gz WYGCMWQAHIKMHP-ZDUSSCGKSA-N 2 2 270.373 0.735 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H](n2c[nH+]c(C)c2CC[NH3+])CO1 ZINC001169332615 836226358 /nfs/dbraw/zinc/22/63/58/836226358.db2.gz ZSRJECAQQORUBV-AAEUAGOBSA-N 2 2 281.356 0.976 20 0 CCADLP CC(=O)N1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCOCC3)C2)C1 ZINC001169587377 836382900 /nfs/dbraw/zinc/38/29/00/836382900.db2.gz DKQKEWCQHHWACE-GJZGRUSLSA-N 2 2 295.427 0.840 20 0 CCADLP CC(=O)N1CCC[C@H]([NH2+][C@H]2CC[N@H+](C3CCOCC3)C2)C1 ZINC001169587377 836382911 /nfs/dbraw/zinc/38/29/11/836382911.db2.gz DKQKEWCQHHWACE-GJZGRUSLSA-N 2 2 295.427 0.840 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001112966015 836981841 /nfs/dbraw/zinc/98/18/41/836981841.db2.gz RNJFKYKBSIFCGI-OAHLLOKOSA-N 2 2 297.443 0.896 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CC[NH+](CCOCC2CC2)CC1 ZINC001113569908 837162375 /nfs/dbraw/zinc/16/23/75/837162375.db2.gz BFIAKYLPUJQANT-UHFFFAOYSA-N 2 2 297.443 0.899 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[NH+](CCOCC2CC2)CC1 ZINC001113569908 837162379 /nfs/dbraw/zinc/16/23/79/837162379.db2.gz BFIAKYLPUJQANT-UHFFFAOYSA-N 2 2 297.443 0.899 20 0 CCADLP COC[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001184721590 844277624 /nfs/dbraw/zinc/27/76/24/844277624.db2.gz YUYUZAPQCHVGHZ-QWHCGFSZSA-N 2 2 280.372 0.499 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC[NH2+]CC1CCC1 ZINC001131821875 838230891 /nfs/dbraw/zinc/23/08/91/838230891.db2.gz FUDDYHQCONEMLN-OAHLLOKOSA-N 2 2 297.443 0.993 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC[NH2+]CC1CCC1 ZINC001131821875 838230902 /nfs/dbraw/zinc/23/09/02/838230902.db2.gz FUDDYHQCONEMLN-OAHLLOKOSA-N 2 2 297.443 0.993 20 0 CCADLP COCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132025123 838295656 /nfs/dbraw/zinc/29/56/56/838295656.db2.gz MEBJWWYIQDMRBG-STQMWFEESA-N 2 2 294.399 0.958 20 0 CCADLP COCC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132025123 838295660 /nfs/dbraw/zinc/29/56/60/838295660.db2.gz MEBJWWYIQDMRBG-STQMWFEESA-N 2 2 294.399 0.958 20 0 CCADLP Cc1nocc1C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132079976 838312479 /nfs/dbraw/zinc/31/24/79/838312479.db2.gz VOAVZIIWLOUCJD-UHFFFAOYSA-N 2 2 277.328 0.476 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]C[C@H]1CCOC1 ZINC001132081630 838312732 /nfs/dbraw/zinc/31/27/32/838312732.db2.gz CQBLHBORTGYOJZ-GFCCVEGCSA-N 2 2 266.345 0.016 20 0 CCADLP Cc1ncc(C[NH2+]CCNC(=O)CCn2cc[nH+]c2)cn1 ZINC001132081911 838313236 /nfs/dbraw/zinc/31/32/36/838313236.db2.gz GDIPDIHIGZFGAX-UHFFFAOYSA-N 2 2 288.355 0.278 20 0 CCADLP C[C@@H]1C[C@@H](C[NH2+]CCNC(=O)CCn2cc[nH+]c2)CCO1 ZINC001132082427 838315092 /nfs/dbraw/zinc/31/50/92/838315092.db2.gz NRLWPUGGWOVEDJ-KGLIPLIRSA-N 2 2 294.399 0.794 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@@H+]1CCCO ZINC001132090779 838316227 /nfs/dbraw/zinc/31/62/27/838316227.db2.gz MCLVTWKUCJJUAL-JSGCOSHPSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@H+]1CCCO ZINC001132090779 838316229 /nfs/dbraw/zinc/31/62/29/838316229.db2.gz MCLVTWKUCJJUAL-JSGCOSHPSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@@H+]1CCCO ZINC001132090779 838316237 /nfs/dbraw/zinc/31/62/37/838316237.db2.gz MCLVTWKUCJJUAL-JSGCOSHPSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@H+]1CCCO ZINC001132090779 838316240 /nfs/dbraw/zinc/31/62/40/838316240.db2.gz MCLVTWKUCJJUAL-JSGCOSHPSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C[NH2+]CCCO ZINC001133135860 838559618 /nfs/dbraw/zinc/55/96/18/838559618.db2.gz YMSHNIBMHOGCSF-STQMWFEESA-N 2 2 294.399 0.409 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C)[C@H](C[NH2+]CCO)C1 ZINC001133272239 838587242 /nfs/dbraw/zinc/58/72/42/838587242.db2.gz WYMTYJVJJNPHRZ-WCQYABFASA-N 2 2 294.399 0.327 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)CC[NH+](C)C)c1nc(C2CC2)no1 ZINC001133294698 838592163 /nfs/dbraw/zinc/59/21/63/838592163.db2.gz PLEVKWVMKVXLFS-JTQLQIEISA-N 2 2 295.387 0.666 20 0 CCADLP CC[C@H](C[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)OC ZINC001133664299 838691507 /nfs/dbraw/zinc/69/15/07/838691507.db2.gz NQTYJTBEPLXTTF-VXGBXAGGSA-N 2 2 294.399 0.960 20 0 CCADLP CC[C@H](C(=O)NCC[NH2+]Cc1csnn1)[NH+](CC)CC ZINC001133685068 838696089 /nfs/dbraw/zinc/69/60/89/838696089.db2.gz PFDYBNYEPVULTB-GFCCVEGCSA-N 2 2 299.444 0.864 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)C[N@H+]2CCC[C@H]2C)oc1C ZINC001133831953 838734808 /nfs/dbraw/zinc/73/48/08/838734808.db2.gz YSSCKAMSQOOXET-LLVKDONJSA-N 2 2 294.399 0.982 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)C[N@@H+]2CCC[C@H]2C)oc1C ZINC001133831953 838734813 /nfs/dbraw/zinc/73/48/13/838734813.db2.gz YSSCKAMSQOOXET-LLVKDONJSA-N 2 2 294.399 0.982 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CCO)c[nH+]1 ZINC001134730145 839056368 /nfs/dbraw/zinc/05/63/68/839056368.db2.gz TXBYZXMKPBVTNP-NWDGAFQWSA-N 2 2 296.415 0.792 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CCn1cccn1 ZINC001135071269 839150094 /nfs/dbraw/zinc/15/00/94/839150094.db2.gz CGAROXZLQSTHMB-LBPRGKRZSA-N 2 2 290.371 0.191 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]CCn1cccn1 ZINC001135071269 839150097 /nfs/dbraw/zinc/15/00/97/839150097.db2.gz CGAROXZLQSTHMB-LBPRGKRZSA-N 2 2 290.371 0.191 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]C[C@H]1CCCCO1 ZINC001135079769 839156669 /nfs/dbraw/zinc/15/66/69/839156669.db2.gz CSLCTVOXLCOQIF-GXTWGEPZSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]C[C@H]1CCCCO1 ZINC001135079769 839156676 /nfs/dbraw/zinc/15/66/76/839156676.db2.gz CSLCTVOXLCOQIF-GXTWGEPZSA-N 2 2 294.399 0.863 20 0 CCADLP CSc1nc(NCCOCCOCC[NH3+])cc(C)[nH+]1 ZINC001159443724 839193066 /nfs/dbraw/zinc/19/30/66/839193066.db2.gz ZADAKPDCAIKQCM-UHFFFAOYSA-N 2 2 286.401 0.911 20 0 CCADLP COCC[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001185372445 844411062 /nfs/dbraw/zinc/41/10/62/844411062.db2.gz XVVARQVPUWWIMJ-CHWSQXEVSA-N 2 2 294.399 0.673 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]C[C@@H]1C[C@]12CCOC2 ZINC001135758096 839393745 /nfs/dbraw/zinc/39/37/45/839393745.db2.gz YIUHJJUHSRPQFB-FZMZJTMJSA-N 2 2 278.356 0.085 20 0 CCADLP C[C@H]1CC[C@H](C[NH2+]C2C[C@@H]3COC[C@H](C2)N3C)[NH2+]C1 ZINC001246103341 839616439 /nfs/dbraw/zinc/61/64/39/839616439.db2.gz HORXZBYWTBQQLK-FIBILERRSA-N 2 2 267.417 0.826 20 0 CCADLP C[C@H]1CC[C@H](CNC2C[C@@H]3COC[C@H](C2)[N@@H+]3C)[NH2+]C1 ZINC001246103341 839616447 /nfs/dbraw/zinc/61/64/47/839616447.db2.gz HORXZBYWTBQQLK-FIBILERRSA-N 2 2 267.417 0.826 20 0 CCADLP C[C@H]1CC[C@H](CNC2C[C@@H]3COC[C@H](C2)[N@H+]3C)[NH2+]C1 ZINC001246103341 839616449 /nfs/dbraw/zinc/61/64/49/839616449.db2.gz HORXZBYWTBQQLK-FIBILERRSA-N 2 2 267.417 0.826 20 0 CCADLP COCC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001185789115 844459743 /nfs/dbraw/zinc/45/97/43/844459743.db2.gz SDXBUSISEYLZAF-KGLIPLIRSA-N 2 2 294.399 0.604 20 0 CCADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1C[NH2+]CCCO ZINC001185787375 844459758 /nfs/dbraw/zinc/45/97/58/844459758.db2.gz GALKBRBKAYNNBG-KBPBESRZSA-N 2 2 294.399 0.340 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@@H]1[NH2+][C@@H]1Cc2cccc(Cl)c2C1 ZINC001246306480 839777992 /nfs/dbraw/zinc/77/79/92/839777992.db2.gz KPKKXBBVTAICFK-WDMOLILDSA-N 2 2 266.772 0.977 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H](N[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246357822 839821424 /nfs/dbraw/zinc/82/14/24/839821424.db2.gz MYOWBMWGRAMDFJ-NTZNESFSSA-N 2 2 255.362 0.012 20 0 CCADLP CC[C@@H](C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)OC ZINC001185925274 844475476 /nfs/dbraw/zinc/47/54/76/844475476.db2.gz LENQKSKYZGXNRB-YPMHNXCESA-N 2 2 280.372 0.568 20 0 CCADLP CC[C@H](F)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001185919619 844476058 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C[NH+]1CCC(CO)(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001178122026 842778357 /nfs/dbraw/zinc/77/83/57/842778357.db2.gz PXZAMQPLMVLQJT-LBPRGKRZSA-N 2 2 292.383 0.018 20 0 CCADLP C[C@H]1[C@@H]([NH2+]Cc2cnsn2)CCN1C(=O)CC[NH+](C)C ZINC001179472199 843004952 /nfs/dbraw/zinc/00/49/52/843004952.db2.gz IOIYFQJLWJYQRP-JQWIXIFHSA-N 2 2 297.428 0.569 20 0 CCADLP C[C@@H](C(=O)Nc1cnc(N2CC[NH+](C)CC2)nc1)[NH+](C)C ZINC001180858936 843323439 /nfs/dbraw/zinc/32/34/39/843323439.db2.gz SVKRGAYKALBFGX-NSHDSACASA-N 2 2 292.387 0.117 20 0 CCADLP CC[NH+](CC)CCNC(=O)Cc1cc[nH+]c(N)c1 ZINC001181230741 843435516 /nfs/dbraw/zinc/43/55/16/843435516.db2.gz SMVUGZDWQAAROZ-UHFFFAOYSA-N 2 2 250.346 0.664 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001151048961 843548210 /nfs/dbraw/zinc/54/82/10/843548210.db2.gz FSHZUQFTUZUDAP-NSHDSACASA-N 2 2 266.345 0.141 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001151048961 843548220 /nfs/dbraw/zinc/54/82/20/843548220.db2.gz FSHZUQFTUZUDAP-NSHDSACASA-N 2 2 266.345 0.141 20 0 CCADLP COc1cc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc(OC)c1OC ZINC001206464049 843624011 /nfs/dbraw/zinc/62/40/11/843624011.db2.gz ISKWSMYXDKCEDX-NWDGAFQWSA-N 2 2 296.367 0.464 20 0 CCADLP COc1cc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc(OC)c1OC ZINC001206464049 843624014 /nfs/dbraw/zinc/62/40/14/843624014.db2.gz ISKWSMYXDKCEDX-NWDGAFQWSA-N 2 2 296.367 0.464 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCc3[nH+]ccn3CC2)C1 ZINC001181979771 843658335 /nfs/dbraw/zinc/65/83/35/843658335.db2.gz YQTJJDDMQKJVRX-CYBMUJFWSA-N 2 2 276.384 0.998 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](C(=O)N2CCc3[nH+]ccn3CC2)C1 ZINC001181979771 843658340 /nfs/dbraw/zinc/65/83/40/843658340.db2.gz YQTJJDDMQKJVRX-CYBMUJFWSA-N 2 2 276.384 0.998 20 0 CCADLP C[NH+]1CCC([NH2+][C@H]2C[C@@H]3CCCCN3C2=O)CC1 ZINC001182202657 843754307 /nfs/dbraw/zinc/75/43/07/843754307.db2.gz CJIFYUHMKNTVBQ-STQMWFEESA-N 2 2 251.374 0.824 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2ccnc(OC(F)F)c2)C[C@@H]1O ZINC001206536062 843897360 /nfs/dbraw/zinc/89/73/60/843897360.db2.gz XDFXESDJKOCRNL-UWVGGRQHSA-N 2 2 273.283 0.434 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccnc(OC(F)F)c2)C[C@@H]1O ZINC001206536062 843897370 /nfs/dbraw/zinc/89/73/70/843897370.db2.gz XDFXESDJKOCRNL-UWVGGRQHSA-N 2 2 273.283 0.434 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@]1(C)C[NH2+]CCF ZINC001182741207 843910350 /nfs/dbraw/zinc/91/03/50/843910350.db2.gz KNVGAMNTNSBEPL-BXUZGUMPSA-N 2 2 282.363 0.996 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001187091219 844649701 /nfs/dbraw/zinc/64/97/01/844649701.db2.gz HWARPXGSURWDGK-VXGBXAGGSA-N 2 2 294.399 0.913 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]([NH2+]CCCF)C1 ZINC001187092203 844649747 /nfs/dbraw/zinc/64/97/47/844649747.db2.gz REVCXWODAWNONV-LLVKDONJSA-N 2 2 268.336 0.513 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC001187322698 844692276 /nfs/dbraw/zinc/69/22/76/844692276.db2.gz SMWLVQWRSLWMID-LLVKDONJSA-N 2 2 281.360 0.102 20 0 CCADLP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001189034525 845026550 /nfs/dbraw/zinc/02/65/50/845026550.db2.gz MSBONZDXMUVRAR-GXTWGEPZSA-N 2 2 292.383 0.659 20 0 CCADLP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001189034525 845026559 /nfs/dbraw/zinc/02/65/59/845026559.db2.gz MSBONZDXMUVRAR-GXTWGEPZSA-N 2 2 292.383 0.659 20 0 CCADLP C[C@H](O)CCC[N@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193048422 845964435 /nfs/dbraw/zinc/96/44/35/845964435.db2.gz QUBZMJZELNJDKA-QWHCGFSZSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@H](O)CCC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193048422 845964442 /nfs/dbraw/zinc/96/44/42/845964442.db2.gz QUBZMJZELNJDKA-QWHCGFSZSA-N 2 2 294.399 0.646 20 0 CCADLP CC[NH+](CC)CCN1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC001250958470 846665690 /nfs/dbraw/zinc/66/56/90/846665690.db2.gz ZXBQKZLVUFBGJQ-LBPRGKRZSA-N 2 2 297.365 0.869 20 0 CCADLP CC(C)CN1C[C@]2(CC[N@H+](CCC[NH+](C)C)C2)OCC1=O ZINC001273714108 846694102 /nfs/dbraw/zinc/69/41/02/846694102.db2.gz OLINRRLOILAHQV-MRXNPFEDSA-N 2 2 297.443 0.897 20 0 CCADLP CC(C)CN1C[C@]2(CC[N@@H+](CCC[NH+](C)C)C2)OCC1=O ZINC001273714108 846694110 /nfs/dbraw/zinc/69/41/10/846694110.db2.gz OLINRRLOILAHQV-MRXNPFEDSA-N 2 2 297.443 0.897 20 0 CCADLP C[NH+](C)CCCC(=O)N1CCC[N@H+](CCF)CC1 ZINC001196970595 846820705 /nfs/dbraw/zinc/82/07/05/846820705.db2.gz NBPJTDOVLOXCQE-UHFFFAOYSA-N 2 2 259.369 0.832 20 0 CCADLP C[NH+](C)CCCC(=O)N1CCC[N@@H+](CCF)CC1 ZINC001196970595 846820712 /nfs/dbraw/zinc/82/07/12/846820712.db2.gz NBPJTDOVLOXCQE-UHFFFAOYSA-N 2 2 259.369 0.832 20 0 CCADLP OCC[C@H]1C[N@H+](CCCn2cc[nH+]c2)C[C@@H]1CO ZINC001198752008 847161924 /nfs/dbraw/zinc/16/19/24/847161924.db2.gz HTBVRJNLCJPHET-QWHCGFSZSA-N 2 2 253.346 0.196 20 0 CCADLP OCC[C@H]1C[N@@H+](CCCn2cc[nH+]c2)C[C@@H]1CO ZINC001198752008 847161927 /nfs/dbraw/zinc/16/19/27/847161927.db2.gz HTBVRJNLCJPHET-QWHCGFSZSA-N 2 2 253.346 0.196 20 0 CCADLP Cc1cc(N(C(N)=[NH2+])C(=O)c2c[nH+]ccc2N(C)C)n[nH]1 ZINC001199355441 847295820 /nfs/dbraw/zinc/29/58/20/847295820.db2.gz IQGHHJRGBSSRTJ-UHFFFAOYSA-N 2 2 287.327 0.719 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCCC[C@](O)(CF)C2)O1 ZINC001205862997 847314764 /nfs/dbraw/zinc/31/47/64/847314764.db2.gz IINOESCKEDUNDZ-AAEUAGOBSA-N 2 2 260.353 0.897 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCCC[C@](O)(CF)C2)O1 ZINC001205862997 847314769 /nfs/dbraw/zinc/31/47/69/847314769.db2.gz IINOESCKEDUNDZ-AAEUAGOBSA-N 2 2 260.353 0.897 20 0 CCADLP CC[NH2+]CCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001152618832 847343736 /nfs/dbraw/zinc/34/37/36/847343736.db2.gz SJDSSMIFUDYWGY-LBPRGKRZSA-N 2 2 250.346 0.410 20 0 CCADLP CO[C@H](C)C[NH2+]C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001200292267 847599442 /nfs/dbraw/zinc/59/94/42/847599442.db2.gz QHRHCXFFAYUDED-GFCCVEGCSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@H](C)C[NH2+]C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001201893142 847823892 /nfs/dbraw/zinc/82/38/92/847823892.db2.gz PPJGXZSXYDVSID-CYBMUJFWSA-N 2 2 294.399 0.889 20 0 CCADLP CO[C@@H](C)C[NH2+]C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001201893145 847823989 /nfs/dbraw/zinc/82/39/89/847823989.db2.gz PPJGXZSXYDVSID-ZDUSSCGKSA-N 2 2 294.399 0.889 20 0 CCADLP COCC[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001202667880 848205999 /nfs/dbraw/zinc/20/59/99/848205999.db2.gz OSECPSFMJXZHGD-UHFFFAOYSA-N 2 2 266.345 0.179 20 0 CCADLP C[C@H](C[NH2+]CCF)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001274810960 848571918 /nfs/dbraw/zinc/57/19/18/848571918.db2.gz TWLZVCGKFDNQAL-MNOVXSKESA-N 2 2 268.336 0.509 20 0 CCADLP CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001274818510 848574081 /nfs/dbraw/zinc/57/40/81/848574081.db2.gz LXTVIPYDSFXXCW-MNOVXSKESA-N 2 2 250.346 0.560 20 0 CCADLP C[N@@H+]1CCC[C@@]2(CN(CCn3cc[nH+]c3)CCO2)C1 ZINC001275047683 848621695 /nfs/dbraw/zinc/62/16/95/848621695.db2.gz ZQGNRDYRNQQXEV-AWEZNQCLSA-N 2 2 264.373 0.680 20 0 CCADLP C[N@H+]1CCC[C@@]2(CN(CCn3cc[nH+]c3)CCO2)C1 ZINC001275047683 848621701 /nfs/dbraw/zinc/62/17/01/848621701.db2.gz ZQGNRDYRNQQXEV-AWEZNQCLSA-N 2 2 264.373 0.680 20 0 CCADLP COCC[NH2+]CC1CC(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001275318169 848689638 /nfs/dbraw/zinc/68/96/38/848689638.db2.gz TUJAHOQVPACCHL-UHFFFAOYSA-N 2 2 294.399 0.484 20 0 CCADLP C[C@@H](C[NH2+]CCF)NC(=O)CCc1c[nH+]cn1C ZINC001275428400 848719366 /nfs/dbraw/zinc/71/93/66/848719366.db2.gz SZEXLRFPQXSQIG-JTQLQIEISA-N 2 2 256.325 0.417 20 0 CCADLP C[NH+](C)CCN1C[C@@H]2C[N@@H+](Cc3ccc[nH]3)C[C@H](C1)O2 ZINC001275854829 848847204 /nfs/dbraw/zinc/84/72/04/848847204.db2.gz IVRGFKHZHHSEPB-GASCZTMLSA-N 2 2 278.400 0.461 20 0 CCADLP C[NH+](C)CCN1C[C@@H]2C[N@H+](Cc3ccc[nH]3)C[C@H](C1)O2 ZINC001275854829 848847210 /nfs/dbraw/zinc/84/72/10/848847210.db2.gz IVRGFKHZHHSEPB-GASCZTMLSA-N 2 2 278.400 0.461 20 0 CCADLP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1cccnn1)C2 ZINC001275877406 848853509 /nfs/dbraw/zinc/85/35/09/848853509.db2.gz BGOKDUCSZWAART-UHFFFAOYSA-N 2 2 261.373 0.156 20 0 CCADLP C[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4cocn4)CC3)[C@H]2C1 ZINC001276235744 848969930 /nfs/dbraw/zinc/96/99/30/848969930.db2.gz NPXYYHWCKRGRPJ-STQMWFEESA-N 2 2 290.367 0.317 20 0 CCADLP C[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4cocn4)CC3)[C@H]2C1 ZINC001276235744 848969935 /nfs/dbraw/zinc/96/99/35/848969935.db2.gz NPXYYHWCKRGRPJ-STQMWFEESA-N 2 2 290.367 0.317 20 0 CCADLP CN(C)C(=O)C[NH+]1CC2(C1)CC[NH+](Cc1cnoc1)CC2 ZINC001276253576 848974505 /nfs/dbraw/zinc/97/45/05/848974505.db2.gz BSDLTKXPGMOQDE-UHFFFAOYSA-N 2 2 292.383 0.661 20 0 CCADLP CO[C@H]1CCC[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000718297520 849247995 /nfs/dbraw/zinc/24/79/95/849247995.db2.gz GWCNIALQCTZYMD-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000300259659 849365610 /nfs/dbraw/zinc/36/56/10/849365610.db2.gz KOTVXYOIBSFDQG-RWMBFGLXSA-N 2 2 260.378 0.212 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[N@H+]1CCCC[C@H]1C[NH3+] ZINC000300259659 849365617 /nfs/dbraw/zinc/36/56/17/849365617.db2.gz KOTVXYOIBSFDQG-RWMBFGLXSA-N 2 2 260.378 0.212 20 0 CCADLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccc(OCC(N)=O)cc1 ZINC000381156847 849734162 /nfs/dbraw/zinc/73/41/62/849734162.db2.gz ONIJYJOZIOUYCH-SNVBAGLBSA-N 2 2 251.330 0.330 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc(OCC(N)=O)cc1 ZINC000381156847 849734167 /nfs/dbraw/zinc/73/41/67/849734167.db2.gz ONIJYJOZIOUYCH-SNVBAGLBSA-N 2 2 251.330 0.330 20 0 CCADLP COCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001038424724 849892452 /nfs/dbraw/zinc/89/24/52/849892452.db2.gz VMFVHWRJYDQPHI-GXTWGEPZSA-N 2 2 292.383 0.282 20 0 CCADLP COCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001038424724 849892462 /nfs/dbraw/zinc/89/24/62/849892462.db2.gz VMFVHWRJYDQPHI-GXTWGEPZSA-N 2 2 292.383 0.282 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2Cc2cccnc2)C1 ZINC001039008142 850118376 /nfs/dbraw/zinc/11/83/76/850118376.db2.gz URAQOPROWLGTIN-HUUCEWRRSA-N 2 2 288.395 0.724 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2Cc2cccnc2)C1 ZINC001039008142 850118378 /nfs/dbraw/zinc/11/83/78/850118378.db2.gz URAQOPROWLGTIN-HUUCEWRRSA-N 2 2 288.395 0.724 20 0 CCADLP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2cccnc2)C1 ZINC001039008142 850118385 /nfs/dbraw/zinc/11/83/85/850118385.db2.gz URAQOPROWLGTIN-HUUCEWRRSA-N 2 2 288.395 0.724 20 0 CCADLP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+]2Cc2cccnc2)C1 ZINC001039008142 850118389 /nfs/dbraw/zinc/11/83/89/850118389.db2.gz URAQOPROWLGTIN-HUUCEWRRSA-N 2 2 288.395 0.724 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000724312592 850198004 /nfs/dbraw/zinc/19/80/04/850198004.db2.gz DVXIYPWQIMAXME-OFIBSPLFSA-N 2 2 272.414 0.825 20 0 CCADLP CCC[N@H+](C[C@@H]1C[C@@H]2COC[C@@H]2O1)[C@@H]1CC[NH2+]C1 ZINC000724568317 850201835 /nfs/dbraw/zinc/20/18/35/850201835.db2.gz IRIOQDRFPLTDGH-MQYQWHSLSA-N 2 2 254.374 0.864 20 0 CCADLP CCC[N@@H+](C[C@@H]1C[C@@H]2COC[C@@H]2O1)[C@@H]1CC[NH2+]C1 ZINC000724568317 850201840 /nfs/dbraw/zinc/20/18/40/850201840.db2.gz IRIOQDRFPLTDGH-MQYQWHSLSA-N 2 2 254.374 0.864 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724572214 850203387 /nfs/dbraw/zinc/20/33/87/850203387.db2.gz YFWRLXDZVDSUOH-NDKCEZKHSA-N 2 2 254.374 0.992 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724572214 850203398 /nfs/dbraw/zinc/20/33/98/850203398.db2.gz YFWRLXDZVDSUOH-NDKCEZKHSA-N 2 2 254.374 0.992 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCO ZINC001039983649 850249089 /nfs/dbraw/zinc/24/90/89/850249089.db2.gz KZFKQYASOSIJLJ-BETUJISGSA-N 2 2 292.383 0.318 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCO ZINC001039983649 850249098 /nfs/dbraw/zinc/24/90/98/850249098.db2.gz KZFKQYASOSIJLJ-BETUJISGSA-N 2 2 292.383 0.318 20 0 CCADLP CC[NH+]1[C@@H]2CCC[C@H]1CN(C(=O)[C@H]1C[N@H+](CC)CCO1)C2 ZINC001040011718 850251309 /nfs/dbraw/zinc/25/13/09/850251309.db2.gz IGSOZNYNUVUAHE-QLFBSQMISA-N 2 2 295.427 0.792 20 0 CCADLP CC[NH+]1[C@@H]2CCC[C@H]1CN(C(=O)[C@H]1C[N@@H+](CC)CCO1)C2 ZINC001040011718 850251317 /nfs/dbraw/zinc/25/13/17/850251317.db2.gz IGSOZNYNUVUAHE-QLFBSQMISA-N 2 2 295.427 0.792 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CC)C1 ZINC001040011718 850251320 /nfs/dbraw/zinc/25/13/20/850251320.db2.gz IGSOZNYNUVUAHE-QLFBSQMISA-N 2 2 295.427 0.792 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CC)C1 ZINC001040011718 850251326 /nfs/dbraw/zinc/25/13/26/850251326.db2.gz IGSOZNYNUVUAHE-QLFBSQMISA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2C[NH+](CCC3CC3)C2)O1 ZINC001043067808 850806875 /nfs/dbraw/zinc/80/68/75/850806875.db2.gz RNQMAYSEFVVXKT-IUODEOHRSA-N 2 2 295.427 0.648 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2C[NH+](CCC3CC3)C2)O1 ZINC001043067808 850806879 /nfs/dbraw/zinc/80/68/79/850806879.db2.gz RNQMAYSEFVVXKT-IUODEOHRSA-N 2 2 295.427 0.648 20 0 CCADLP CC(C)CC[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001043066885 850807678 /nfs/dbraw/zinc/80/76/78/850807678.db2.gz IUDCGKNMPXBFJT-UKRRQHHQSA-N 2 2 297.443 0.894 20 0 CCADLP CC(C)CC[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001043066885 850807682 /nfs/dbraw/zinc/80/76/82/850807682.db2.gz IUDCGKNMPXBFJT-UKRRQHHQSA-N 2 2 297.443 0.894 20 0 CCADLP Cc1c(C(=O)N(C)C2C[NH+](CCO)C2)ccc2c[nH+]cn21 ZINC001043183017 850828969 /nfs/dbraw/zinc/82/89/69/850828969.db2.gz DGCDSKVODRGBMZ-UHFFFAOYSA-N 2 2 288.351 0.391 20 0 CCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)C2C[NH+](CC3CC3)C2)C1 ZINC001043629544 850913884 /nfs/dbraw/zinc/91/38/84/850913884.db2.gz QZIWTCKQXIVDIM-OAHLLOKOSA-N 2 2 295.427 0.648 20 0 CCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)C2C[NH+](CC3CC3)C2)C1 ZINC001043629544 850913887 /nfs/dbraw/zinc/91/38/87/850913887.db2.gz QZIWTCKQXIVDIM-OAHLLOKOSA-N 2 2 295.427 0.648 20 0 CCADLP C[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001044003792 850982808 /nfs/dbraw/zinc/98/28/08/850982808.db2.gz SPFLJPYYZXMYLR-ZIAGYGMSSA-N 2 2 297.443 0.774 20 0 CCADLP CCC[NH+]1CC(N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001044299973 851070810 /nfs/dbraw/zinc/07/08/10/851070810.db2.gz MFBNYDHQMKDVFZ-UHFFFAOYSA-N 2 2 250.346 0.744 20 0 CCADLP COC[C@@H](C)[NH+]1CC(N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001044300580 851070897 /nfs/dbraw/zinc/07/08/97/851070897.db2.gz WIFIYFPHJFNDIC-LLVKDONJSA-N 2 2 280.372 0.369 20 0 CCADLP CN(C(=O)Cn1cc[nH+]c1)C1C[NH+](CC[C@H]2CCCO2)C1 ZINC001044364985 851086422 /nfs/dbraw/zinc/08/64/22/851086422.db2.gz HBRGAAUDLAPLHO-CQSZACIVSA-N 2 2 292.383 0.595 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]1C[NH2+]Cc1ccon1 ZINC001045330482 851234149 /nfs/dbraw/zinc/23/41/49/851234149.db2.gz ZKINKMXGHFIRIP-ZDUSSCGKSA-N 2 2 289.339 0.652 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[NH+](CCF)C1 ZINC001046197816 851417335 /nfs/dbraw/zinc/41/73/35/851417335.db2.gz QWWUIMHXDYLDJF-YPMHNXCESA-N 2 2 257.353 0.631 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[NH+](CCF)C1 ZINC001046197816 851417345 /nfs/dbraw/zinc/41/73/45/851417345.db2.gz QWWUIMHXDYLDJF-YPMHNXCESA-N 2 2 257.353 0.631 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[N@H+](CCF)C1 ZINC001046197816 851417348 /nfs/dbraw/zinc/41/73/48/851417348.db2.gz QWWUIMHXDYLDJF-YPMHNXCESA-N 2 2 257.353 0.631 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@]1(C)CC[N@@H+](CCF)C1 ZINC001046197816 851417352 /nfs/dbraw/zinc/41/73/52/851417352.db2.gz QWWUIMHXDYLDJF-YPMHNXCESA-N 2 2 257.353 0.631 20 0 CCADLP C[C@]1(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC[N@H+](CCO)C1 ZINC001046427146 851496947 /nfs/dbraw/zinc/49/69/47/851496947.db2.gz WMNDNYHZHNJDKE-WFASDCNBSA-N 2 2 292.383 0.018 20 0 CCADLP C[C@]1(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC[N@@H+](CCO)C1 ZINC001046427146 851496952 /nfs/dbraw/zinc/49/69/52/851496952.db2.gz WMNDNYHZHNJDKE-WFASDCNBSA-N 2 2 292.383 0.018 20 0 CCADLP C[C@]1(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[N@H+](CCO)C1 ZINC001046433575 851503699 /nfs/dbraw/zinc/50/36/99/851503699.db2.gz HPLZTFRNJGWPHY-DOMZBBRYSA-N 2 2 292.383 0.018 20 0 CCADLP C[C@]1(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[N@@H+](CCO)C1 ZINC001046433575 851503708 /nfs/dbraw/zinc/50/37/08/851503708.db2.gz HPLZTFRNJGWPHY-DOMZBBRYSA-N 2 2 292.383 0.018 20 0 CCADLP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001047525681 851800688 /nfs/dbraw/zinc/80/06/88/851800688.db2.gz YODNLNHIZKWDPI-WXHSDQCUSA-N 2 2 292.383 0.353 20 0 CCADLP CC[N@@H+]1C[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001048793053 852060986 /nfs/dbraw/zinc/06/09/86/852060986.db2.gz VSTBMPFXDKLTBA-TXEJJXNPSA-N 2 2 262.357 0.752 20 0 CCADLP CC[N@H+]1C[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001048793053 852060978 /nfs/dbraw/zinc/06/09/78/852060978.db2.gz VSTBMPFXDKLTBA-TXEJJXNPSA-N 2 2 262.357 0.752 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001048792094 852061857 /nfs/dbraw/zinc/06/18/57/852061857.db2.gz IRPIVEKKAWDRQI-RWMBFGLXSA-N 2 2 292.383 0.113 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001048792094 852061862 /nfs/dbraw/zinc/06/18/62/852061862.db2.gz IRPIVEKKAWDRQI-RWMBFGLXSA-N 2 2 292.383 0.113 20 0 CCADLP Cc1nc(N2CC[C@H](NC(=O)CCC[NH+](C)C)C2)cc[nH+]1 ZINC001096470513 852161264 /nfs/dbraw/zinc/16/12/64/852161264.db2.gz UYQIJVWCRTXIPG-ZDUSSCGKSA-N 2 2 291.399 0.822 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCO ZINC001049447180 852278129 /nfs/dbraw/zinc/27/81/29/852278129.db2.gz MLKOLPOQQZHYNJ-CHWSQXEVSA-N 2 2 292.383 0.400 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCO ZINC001049447180 852278139 /nfs/dbraw/zinc/27/81/39/852278139.db2.gz MLKOLPOQQZHYNJ-CHWSQXEVSA-N 2 2 292.383 0.400 20 0 CCADLP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCF ZINC001096546002 852314458 /nfs/dbraw/zinc/31/44/58/852314458.db2.gz WEFQZUMRKVROHG-AGIUHOORSA-N 2 2 269.364 0.773 20 0 CCADLP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCF ZINC001096546002 852314468 /nfs/dbraw/zinc/31/44/68/852314468.db2.gz WEFQZUMRKVROHG-AGIUHOORSA-N 2 2 269.364 0.773 20 0 CCADLP COCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049926577 852396790 /nfs/dbraw/zinc/39/67/90/852396790.db2.gz CNLPGTJIPVOXNS-KGLIPLIRSA-N 2 2 292.383 0.595 20 0 CCADLP COCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049926577 852396798 /nfs/dbraw/zinc/39/67/98/852396798.db2.gz CNLPGTJIPVOXNS-KGLIPLIRSA-N 2 2 292.383 0.595 20 0 CCADLP COC[C@H](C)[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052750937 852651480 /nfs/dbraw/zinc/65/14/80/852651480.db2.gz ONZRFIJZJMNTGA-STQMWFEESA-N 2 2 294.399 0.958 20 0 CCADLP COC[C@H](C)[N@H+]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052750937 852651484 /nfs/dbraw/zinc/65/14/84/852651484.db2.gz ONZRFIJZJMNTGA-STQMWFEESA-N 2 2 294.399 0.958 20 0 CCADLP COCC[N@@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001052898034 852668017 /nfs/dbraw/zinc/66/80/17/852668017.db2.gz RPLXYTLBPNCEFP-CYBMUJFWSA-N 2 2 294.399 0.878 20 0 CCADLP COCC[N@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001052898034 852668026 /nfs/dbraw/zinc/66/80/26/852668026.db2.gz RPLXYTLBPNCEFP-CYBMUJFWSA-N 2 2 294.399 0.878 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970841 852678222 /nfs/dbraw/zinc/67/82/22/852678222.db2.gz ZIXSHWYXOBUIGT-OLZOCXBDSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970841 852678224 /nfs/dbraw/zinc/67/82/24/852678224.db2.gz ZIXSHWYXOBUIGT-OLZOCXBDSA-N 2 2 280.372 0.235 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)CCO2 ZINC001053249738 852719004 /nfs/dbraw/zinc/71/90/04/852719004.db2.gz BGSLQZSVSJPYOL-AWEZNQCLSA-N 2 2 295.427 0.792 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)CCO2 ZINC001053249738 852719008 /nfs/dbraw/zinc/71/90/08/852719008.db2.gz BGSLQZSVSJPYOL-AWEZNQCLSA-N 2 2 295.427 0.792 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)C[N@@H+]1CCC[C@H]1C)CCO2 ZINC001053429848 852742483 /nfs/dbraw/zinc/74/24/83/852742483.db2.gz ZGNOCPLSLOFJMU-CYBMUJFWSA-N 2 2 281.400 0.404 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)C[N@H+]1CCC[C@H]1C)CCO2 ZINC001053429848 852742486 /nfs/dbraw/zinc/74/24/86/852742486.db2.gz ZGNOCPLSLOFJMU-CYBMUJFWSA-N 2 2 281.400 0.404 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)CO2 ZINC001053798909 852825132 /nfs/dbraw/zinc/82/51/32/852825132.db2.gz HABZFBHGBKVGNC-KBPBESRZSA-N 2 2 295.427 0.839 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)CO2 ZINC001053798909 852825137 /nfs/dbraw/zinc/82/51/37/852825137.db2.gz HABZFBHGBKVGNC-KBPBESRZSA-N 2 2 295.427 0.839 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001054219056 852896344 /nfs/dbraw/zinc/89/63/44/852896344.db2.gz FXPWGFVTDDPTIH-HNNXBMFYSA-N 2 2 292.383 0.259 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001054219056 852896352 /nfs/dbraw/zinc/89/63/52/852896352.db2.gz FXPWGFVTDDPTIH-HNNXBMFYSA-N 2 2 292.383 0.259 20 0 CCADLP O=C(NC[C@@H]1COCC[N@@H+]1CC1CC1)C12CC[NH+](CC1)C2 ZINC001051207129 853546651 /nfs/dbraw/zinc/54/66/51/853546651.db2.gz DQDWZOIRHBMNBA-CQSZACIVSA-N 2 2 293.411 0.309 20 0 CCADLP O=C(NC[C@@H]1COCC[N@H+]1CC1CC1)C12CC[NH+](CC1)C2 ZINC001051207129 853546655 /nfs/dbraw/zinc/54/66/55/853546655.db2.gz DQDWZOIRHBMNBA-CQSZACIVSA-N 2 2 293.411 0.309 20 0 CCADLP CC[NH2+]C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CCO1 ZINC001051581378 853604895 /nfs/dbraw/zinc/60/48/95/853604895.db2.gz BVSTUSLFQMDWHI-NSHDSACASA-N 2 2 266.345 0.179 20 0 CCADLP Cc1nc(N2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc[nH+]1 ZINC001058373512 853835353 /nfs/dbraw/zinc/83/53/53/853835353.db2.gz KGLOQTHZYREFHP-QWHCGFSZSA-N 2 2 289.383 0.432 20 0 CCADLP Cc1nc(N2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc[nH+]1 ZINC001058373512 853835356 /nfs/dbraw/zinc/83/53/56/853835356.db2.gz KGLOQTHZYREFHP-QWHCGFSZSA-N 2 2 289.383 0.432 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001072673741 854444120 /nfs/dbraw/zinc/44/41/20/854444120.db2.gz SYOMVJYHVHZXJO-GFCCVEGCSA-N 2 2 292.383 0.257 20 0 CCADLP C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001072673741 854444122 /nfs/dbraw/zinc/44/41/22/854444122.db2.gz SYOMVJYHVHZXJO-GFCCVEGCSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC[N@@H+](CCCF)C[C@H]1O ZINC001099871420 855012430 /nfs/dbraw/zinc/01/24/30/855012430.db2.gz DANDLVZIYLFBQA-CHWSQXEVSA-N 2 2 298.362 0.253 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC[N@H+](CCCF)C[C@H]1O ZINC001099871420 855012435 /nfs/dbraw/zinc/01/24/35/855012435.db2.gz DANDLVZIYLFBQA-CHWSQXEVSA-N 2 2 298.362 0.253 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CC[N@@H+](CCCF)C[C@H]1O ZINC001099871420 855012441 /nfs/dbraw/zinc/01/24/41/855012441.db2.gz DANDLVZIYLFBQA-CHWSQXEVSA-N 2 2 298.362 0.253 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CC[N@H+](CCCF)C[C@H]1O ZINC001099871420 855012450 /nfs/dbraw/zinc/01/24/50/855012450.db2.gz DANDLVZIYLFBQA-CHWSQXEVSA-N 2 2 298.362 0.253 20 0 CCADLP C[C@@H](CC(=O)N1CCOCC1)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC001256319938 855242436 /nfs/dbraw/zinc/24/24/36/855242436.db2.gz FJPKCXHCAOVADY-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@@H](CC(=O)N1CCOCC1)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC001256319938 855242442 /nfs/dbraw/zinc/24/24/42/855242442.db2.gz FJPKCXHCAOVADY-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP COC[C@H](C)[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001101069331 855259598 /nfs/dbraw/zinc/25/95/98/855259598.db2.gz MBNYUMNPRPZHRT-HIFPTAJRSA-N 2 2 280.372 0.402 20 0 CCADLP O=C1NC[C@H]2C[N@H+](C[C@H]3CCCC[NH2+]C3)CCN12 ZINC000697084995 855615217 /nfs/dbraw/zinc/61/52/17/855615217.db2.gz BMJPEFJEAJLMGB-RYUDHWBXSA-N 2 2 252.362 0.086 20 0 CCADLP O=C1NC[C@H]2C[N@@H+](C[C@H]3CCCC[NH2+]C3)CCN12 ZINC000697084995 855615225 /nfs/dbraw/zinc/61/52/25/855615225.db2.gz BMJPEFJEAJLMGB-RYUDHWBXSA-N 2 2 252.362 0.086 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1[C@H]2C[N@H+](CCCF)C[C@H]21 ZINC001115190439 855651680 /nfs/dbraw/zinc/65/16/80/855651680.db2.gz POYLVYSFRIXNHI-NHAGDIPZSA-N 2 2 294.374 0.759 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCF)C[C@H]21 ZINC001115190439 855651682 /nfs/dbraw/zinc/65/16/82/855651682.db2.gz POYLVYSFRIXNHI-NHAGDIPZSA-N 2 2 294.374 0.759 20 0 CCADLP C[NH2+]CCCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001118131535 856170898 /nfs/dbraw/zinc/17/08/98/856170898.db2.gz XYWDIADBUOOFTC-UHFFFAOYSA-N 3 2 296.459 0.661 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC001118992999 856521652 /nfs/dbraw/zinc/52/16/52/856521652.db2.gz WIRLREMTSVRNNC-JHJVBQTASA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC001118992999 856521656 /nfs/dbraw/zinc/52/16/56/856521656.db2.gz WIRLREMTSVRNNC-JHJVBQTASA-N 2 2 269.389 0.341 20 0 CCADLP [NH3+][C@H](c1cn(Cc2[nH]cc[nH+]2)nn1)C1CCOCC1 ZINC001119278339 856607988 /nfs/dbraw/zinc/60/79/88/856607988.db2.gz PBHZKMHMFMXVCL-LBPRGKRZSA-N 2 2 262.317 0.476 20 0 CCADLP C[C@H](O)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCCCC1 ZINC001120248705 857017228 /nfs/dbraw/zinc/01/72/28/857017228.db2.gz PCOCLOUPDDBOHF-ZDUSSCGKSA-N 2 2 294.399 0.673 20 0 CCADLP CCOCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001323262499 912229770 /nfs/dbraw/zinc/22/97/70/912229770.db2.gz OOYWKWRAIKOXSR-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP CCOCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001323262499 912229793 /nfs/dbraw/zinc/22/97/93/912229793.db2.gz OOYWKWRAIKOXSR-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP CCOCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001323262499 912229807 /nfs/dbraw/zinc/22/98/07/912229807.db2.gz OOYWKWRAIKOXSR-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP CCOCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001323262499 912229830 /nfs/dbraw/zinc/22/98/30/912229830.db2.gz OOYWKWRAIKOXSR-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP CCOCC[N@@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001323369846 912298935 /nfs/dbraw/zinc/29/89/35/912298935.db2.gz DGIXQUHEMHJMCD-LBPRGKRZSA-N 2 2 266.345 0.110 20 0 CCADLP CCOCC[N@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001323369846 912298945 /nfs/dbraw/zinc/29/89/45/912298945.db2.gz DGIXQUHEMHJMCD-LBPRGKRZSA-N 2 2 266.345 0.110 20 0 CCADLP COCC[N@H+](C)CCCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001393640158 912697875 /nfs/dbraw/zinc/69/78/75/912697875.db2.gz HIPDAHWWPOOSHX-UHFFFAOYSA-N 2 2 282.388 0.687 20 0 CCADLP COCC[N@@H+](C)CCCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001393640158 912697881 /nfs/dbraw/zinc/69/78/81/912697881.db2.gz HIPDAHWWPOOSHX-UHFFFAOYSA-N 2 2 282.388 0.687 20 0 CCADLP CCOCCC[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001324286351 912758562 /nfs/dbraw/zinc/75/85/62/912758562.db2.gz PVAHSWSFNHMJSH-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP CCOCCC[N@@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001324680483 912978763 /nfs/dbraw/zinc/97/87/63/912978763.db2.gz LWPXRMWAEVRUBM-HNNXBMFYSA-N 2 2 294.399 0.890 20 0 CCADLP CCOCCC[N@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001324680483 912978774 /nfs/dbraw/zinc/97/87/74/912978774.db2.gz LWPXRMWAEVRUBM-HNNXBMFYSA-N 2 2 294.399 0.890 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H](CO)[NH2+]CC1CC1 ZINC001394628922 913324705 /nfs/dbraw/zinc/32/47/05/913324705.db2.gz BMSJQTSRIDGYII-JHJVBQTASA-N 2 2 292.383 0.000 20 0 CCADLP C[N@H+](CCNC(=O)CCn1cc[nH+]c1)Cc1cccnc1 ZINC001480896749 891706067 /nfs/dbraw/zinc/70/60/67/891706067.db2.gz HTYSCNJJLUJZCH-UHFFFAOYSA-N 2 2 287.367 0.916 20 0 CCADLP C[N@@H+](CCNC(=O)CCn1cc[nH+]c1)Cc1cccnc1 ZINC001480896749 891706082 /nfs/dbraw/zinc/70/60/82/891706082.db2.gz HTYSCNJJLUJZCH-UHFFFAOYSA-N 2 2 287.367 0.916 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H](C[N@H+](C)CCF)C1 ZINC001418938469 891847141 /nfs/dbraw/zinc/84/71/41/891847141.db2.gz VZPGAVFUAMSSJT-LBPRGKRZSA-N 2 2 282.363 0.712 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H](C[N@@H+](C)CCF)C1 ZINC001418938469 891847156 /nfs/dbraw/zinc/84/71/56/891847156.db2.gz VZPGAVFUAMSSJT-LBPRGKRZSA-N 2 2 282.363 0.712 20 0 CCADLP Cc1ncc(C[NH+](C)CCNC(=O)C[N@@H+](C)C(C)C)cn1 ZINC001480952200 891940360 /nfs/dbraw/zinc/94/03/60/891940360.db2.gz ZLYBVDLYEUXHNK-UHFFFAOYSA-N 2 2 293.415 0.673 20 0 CCADLP Cc1ncc(C[NH+](C)CCNC(=O)C[N@H+](C)C(C)C)cn1 ZINC001480952200 891940372 /nfs/dbraw/zinc/94/03/72/891940372.db2.gz ZLYBVDLYEUXHNK-UHFFFAOYSA-N 2 2 293.415 0.673 20 0 CCADLP Cc1ncc(C[N@@H+](C)CCNC(=O)C[NH+](C)C(C)C)cn1 ZINC001480952200 891940381 /nfs/dbraw/zinc/94/03/81/891940381.db2.gz ZLYBVDLYEUXHNK-UHFFFAOYSA-N 2 2 293.415 0.673 20 0 CCADLP Cc1ncc(C[N@H+](C)CCNC(=O)C[NH+](C)C(C)C)cn1 ZINC001480952200 891940389 /nfs/dbraw/zinc/94/03/89/891940389.db2.gz ZLYBVDLYEUXHNK-UHFFFAOYSA-N 2 2 293.415 0.673 20 0 CCADLP COCCC[NH+]1CC(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001481568412 892842743 /nfs/dbraw/zinc/84/27/43/892842743.db2.gz APLODBJBPRZGNG-UHFFFAOYSA-N 2 2 281.400 0.452 20 0 CCADLP C[C@@H](F)CC[NH+]1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001481663179 892979185 /nfs/dbraw/zinc/97/91/85/892979185.db2.gz YTEAYZPZFIIFST-LLVKDONJSA-N 2 2 268.336 0.679 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001481697292 893025532 /nfs/dbraw/zinc/02/55/32/893025532.db2.gz WMRNMAWGACOUMN-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001481697292 893025551 /nfs/dbraw/zinc/02/55/51/893025551.db2.gz WMRNMAWGACOUMN-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001481826755 893190739 /nfs/dbraw/zinc/19/07/39/893190739.db2.gz UTYWSHVPUUYXLF-VXGBXAGGSA-N 2 2 264.373 0.950 20 0 CCADLP CC[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]C(C)C ZINC001481871311 893224831 /nfs/dbraw/zinc/22/48/31/893224831.db2.gz PXOOBTLLGBDFOD-LLVKDONJSA-N 2 2 252.362 0.855 20 0 CCADLP CC[NH2+]CCN(CCO)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001326103774 913751796 /nfs/dbraw/zinc/75/17/96/913751796.db2.gz PFHBZSKXGQCIRG-GFCCVEGCSA-N 2 2 268.361 0.265 20 0 CCADLP COCC[NH2+]C[C@](C)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001481950778 893288499 /nfs/dbraw/zinc/28/84/99/893288499.db2.gz HKSIQKREUMCVJJ-AWEZNQCLSA-N 2 2 280.372 0.404 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]C[C@H]1CCCOC1 ZINC001482153860 893442320 /nfs/dbraw/zinc/44/23/20/893442320.db2.gz CFMIQFUNUKXGQF-CHWSQXEVSA-N 2 2 294.399 0.721 20 0 CCADLP C[C@H](C[NH2+]Cc1ccn(C)n1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001482334840 893884181 /nfs/dbraw/zinc/88/41/81/893884181.db2.gz BIQNGUOXHXUSCW-LLVKDONJSA-N 2 2 290.371 0.322 20 0 CCADLP C[C@H](C[NH2+]CC1CC1)NC(=O)CCc1c[nH+]cn1C ZINC001483189914 895078208 /nfs/dbraw/zinc/07/82/08/895078208.db2.gz CSZSCVWHOHUYON-LLVKDONJSA-N 2 2 264.373 0.857 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCC[NH+](C)C)o1 ZINC001409429189 895180459 /nfs/dbraw/zinc/18/04/59/895180459.db2.gz ZSCQLDUIPMMLBX-GHMZBOCLSA-N 2 2 297.403 0.703 20 0 CCADLP CO[C@H](C)C[N@H+](C)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001409595137 895269578 /nfs/dbraw/zinc/26/95/78/895269578.db2.gz KRGNJJWBRPBDFT-CHWSQXEVSA-N 2 2 282.388 0.745 20 0 CCADLP CO[C@H](C)C[N@@H+](C)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001409595137 895269591 /nfs/dbraw/zinc/26/95/91/895269591.db2.gz KRGNJJWBRPBDFT-CHWSQXEVSA-N 2 2 282.388 0.745 20 0 CCADLP CO[C@H](C)C[N@H+](C)[C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001409595153 895269619 /nfs/dbraw/zinc/26/96/19/895269619.db2.gz KRGNJJWBRPBDFT-QWHCGFSZSA-N 2 2 282.388 0.745 20 0 CCADLP CO[C@H](C)C[N@@H+](C)[C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001409595153 895269629 /nfs/dbraw/zinc/26/96/29/895269629.db2.gz KRGNJJWBRPBDFT-QWHCGFSZSA-N 2 2 282.388 0.745 20 0 CCADLP C[NH2+]C1(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCC1 ZINC001548560425 895322006 /nfs/dbraw/zinc/32/20/06/895322006.db2.gz YGKOCOYTWSSDCK-LBPRGKRZSA-N 2 2 274.368 0.919 20 0 CCADLP Cc1noc(C)c1C[NH2+]C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001483269919 895400615 /nfs/dbraw/zinc/40/06/15/895400615.db2.gz CVXNNSPJTZVPBL-VIFPVBQESA-N 2 2 291.355 0.852 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCCC[C@H]1C[NH2+]CCCO ZINC001483444034 895569534 /nfs/dbraw/zinc/56/95/34/895569534.db2.gz RCLOQRSXNYGXAT-STQMWFEESA-N 2 2 294.399 0.599 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[N@H+]1CCC[C@@H](C)O ZINC001483696465 895873542 /nfs/dbraw/zinc/87/35/42/895873542.db2.gz KEKHWAVIBQKFNF-DGCLKSJQSA-N 2 2 294.399 0.612 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[N@@H+]1CCC[C@@H](C)O ZINC001483696465 895873555 /nfs/dbraw/zinc/87/35/55/895873555.db2.gz KEKHWAVIBQKFNF-DGCLKSJQSA-N 2 2 294.399 0.612 20 0 CCADLP C[C@@H](C[NH2+][C@H]1CCn2cc[nH+]c2C1)S(C)(=O)=O ZINC001326597277 914040938 /nfs/dbraw/zinc/04/09/38/914040938.db2.gz UHJNSYSYNULESH-UWVGGRQHSA-N 2 2 257.359 0.221 20 0 CCADLP CC[NH+]1CC(O)(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001484276633 896305565 /nfs/dbraw/zinc/30/55/65/896305565.db2.gz XCIFMOXTGRITHK-UHFFFAOYSA-N 2 2 297.424 0.606 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([C@H](C)[NH2+]CCO)C1 ZINC001484352774 896353806 /nfs/dbraw/zinc/35/38/06/896353806.db2.gz MKXIISXUHQGDNI-JQWIXIFHSA-N 2 2 280.372 0.080 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)N1CC([NH2+]C2COC2)C1 ZINC001434399333 896646400 /nfs/dbraw/zinc/64/64/00/896646400.db2.gz HXMWGPDBTQIXAA-UHFFFAOYSA-N 2 2 278.356 0.171 20 0 CCADLP CCC[NH+]1CCC(CO)(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001485022352 896716801 /nfs/dbraw/zinc/71/68/01/896716801.db2.gz WXBUJPBEZCKNCS-UHFFFAOYSA-N 2 2 294.399 0.626 20 0 CCADLP COCC[NH2+]C[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001485039057 896728236 /nfs/dbraw/zinc/72/82/36/896728236.db2.gz YWMFKKGKIDJYOE-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP C[C@H](O)C[NH2+]CC(C)(C)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001485253959 896883619 /nfs/dbraw/zinc/88/36/19/896883619.db2.gz KRWMVJXFVDBOTO-LBPRGKRZSA-N 2 2 296.415 0.797 20 0 CCADLP C[C@H](O)C[NH2+]CC(C)(C)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001485253959 896883632 /nfs/dbraw/zinc/88/36/32/896883632.db2.gz KRWMVJXFVDBOTO-LBPRGKRZSA-N 2 2 296.415 0.797 20 0 CCADLP CO[C@H](C)C[N@H+](C)[C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001485314508 896938464 /nfs/dbraw/zinc/93/84/64/896938464.db2.gz AWOLFQFYAFCJHL-NWDGAFQWSA-N 2 2 282.388 0.814 20 0 CCADLP CO[C@H](C)C[N@@H+](C)[C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001485314508 896938466 /nfs/dbraw/zinc/93/84/66/896938466.db2.gz AWOLFQFYAFCJHL-NWDGAFQWSA-N 2 2 282.388 0.814 20 0 CCADLP CO[C@H](C)C[N@H+](C)[C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001485314508 896938468 /nfs/dbraw/zinc/93/84/68/896938468.db2.gz AWOLFQFYAFCJHL-NWDGAFQWSA-N 2 2 282.388 0.814 20 0 CCADLP CO[C@H](C)C[N@@H+](C)[C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001485314508 896938470 /nfs/dbraw/zinc/93/84/70/896938470.db2.gz AWOLFQFYAFCJHL-NWDGAFQWSA-N 2 2 282.388 0.814 20 0 CCADLP C[C@H]([NH3+])C[N@H+](C)Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001236899021 897107191 /nfs/dbraw/zinc/10/71/91/897107191.db2.gz GJWDDSANDHMTCX-ZDUSSCGKSA-N 3 2 262.401 0.875 20 0 CCADLP C[C@H]([NH3+])C[N@@H+](C)Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001236899021 897107197 /nfs/dbraw/zinc/10/71/97/897107197.db2.gz GJWDDSANDHMTCX-ZDUSSCGKSA-N 3 2 262.401 0.875 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCS(=O)(=O)C2)C1 ZINC000715489007 897673890 /nfs/dbraw/zinc/67/38/90/897673890.db2.gz AXAATYAGVARQPJ-IJLUTSLNSA-N 2 2 260.403 0.636 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032735866 898039235 /nfs/dbraw/zinc/03/92/35/898039235.db2.gz ILQQSZGULBTZLC-RYUDHWBXSA-N 2 2 290.367 0.039 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032735866 898039241 /nfs/dbraw/zinc/03/92/41/898039241.db2.gz ILQQSZGULBTZLC-RYUDHWBXSA-N 2 2 290.367 0.039 20 0 CCADLP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]CC[C@H]1CCCO1 ZINC001485961283 898560594 /nfs/dbraw/zinc/56/05/94/898560594.db2.gz ALIIOFKCFFLBLS-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP COCCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC001486082235 898648372 /nfs/dbraw/zinc/64/83/72/898648372.db2.gz YLQZTCVPZUPUMP-GXTWGEPZSA-N 2 2 294.399 0.958 20 0 CCADLP COCCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC001486082235 898648385 /nfs/dbraw/zinc/64/83/85/898648385.db2.gz YLQZTCVPZUPUMP-GXTWGEPZSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCCO)CN1C(=O)CCn1cc[nH+]c1 ZINC001486118205 898674465 /nfs/dbraw/zinc/67/44/65/898674465.db2.gz PBAUOJYVHWKHNX-QWHCGFSZSA-N 2 2 280.372 0.235 20 0 CCADLP COCCC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001486213121 898716608 /nfs/dbraw/zinc/71/66/08/898716608.db2.gz UAQWOELAOXXJPI-OLZOCXBDSA-N 2 2 294.399 0.863 20 0 CCADLP CN(C[C@H](O)C[NH2+]CCF)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001486312059 898785273 /nfs/dbraw/zinc/78/52/73/898785273.db2.gz SZAITGLTDBNLMR-SNVBAGLBSA-N 2 2 286.351 0.066 20 0 CCADLP CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001486356679 898818159 /nfs/dbraw/zinc/81/81/59/898818159.db2.gz MEVLRDHIKZLMCY-CQSZACIVSA-N 2 2 296.415 0.514 20 0 CCADLP CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001486356679 898818174 /nfs/dbraw/zinc/81/81/74/898818174.db2.gz MEVLRDHIKZLMCY-CQSZACIVSA-N 2 2 296.415 0.514 20 0 CCADLP CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001486344029 898821656 /nfs/dbraw/zinc/82/16/56/898821656.db2.gz QKMNKLAGXXALQT-CYBMUJFWSA-N 2 2 282.388 0.434 20 0 CCADLP CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001486344029 898821669 /nfs/dbraw/zinc/82/16/69/898821669.db2.gz QKMNKLAGXXALQT-CYBMUJFWSA-N 2 2 282.388 0.434 20 0 CCADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC[NH+](C[C@H](C)O)CC1 ZINC001486441092 898876404 /nfs/dbraw/zinc/87/64/04/898876404.db2.gz JTUGYSWMBFVKGP-NWDGAFQWSA-N 2 2 294.399 0.550 20 0 CCADLP C[NH+](C)Cc1cnc(C[N@@H+]2C[C@H](CO)[C@@H](CCO)C2)s1 ZINC001364735083 899033816 /nfs/dbraw/zinc/03/38/16/899033816.db2.gz RCKVRWKVLUGXDZ-NWDGAFQWSA-N 2 2 299.440 0.627 20 0 CCADLP C[NH+](C)Cc1cnc(C[N@H+]2C[C@H](CO)[C@@H](CCO)C2)s1 ZINC001364735083 899033832 /nfs/dbraw/zinc/03/38/32/899033832.db2.gz RCKVRWKVLUGXDZ-NWDGAFQWSA-N 2 2 299.440 0.627 20 0 CCADLP Cc1cc(C)n(CC[NH+]2CC(NC(=O)CC[NH+](C)C)C2)n1 ZINC001494442803 899114152 /nfs/dbraw/zinc/11/41/52/899114152.db2.gz XOYCSOWBETVLAV-UHFFFAOYSA-N 2 2 293.415 0.252 20 0 CCADLP CC[C@@H](F)C[NH2+][C@@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001410789493 899578147 /nfs/dbraw/zinc/57/81/47/899578147.db2.gz UDBFAMBNJPAPRW-GHMZBOCLSA-N 2 2 286.351 0.075 20 0 CCADLP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1cnon1 ZINC001437207236 899611627 /nfs/dbraw/zinc/61/16/27/899611627.db2.gz YMEWYMDQYUXNKO-JTQLQIEISA-N 2 2 281.360 0.006 20 0 CCADLP CC[C@@H](C)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001411131525 899696893 /nfs/dbraw/zinc/69/68/93/899696893.db2.gz ZZPBVRWTUKHACZ-DGCLKSJQSA-N 2 2 296.415 0.716 20 0 CCADLP C[C@H](CCCC[NH2+][C@H](C)C(N)=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175874369 899971433 /nfs/dbraw/zinc/97/14/33/899971433.db2.gz SEOOTOOOANMCNF-GHMZBOCLSA-N 2 2 295.387 0.091 20 0 CCADLP CC[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001490251689 900581109 /nfs/dbraw/zinc/58/11/09/900581109.db2.gz SRPONOCMEJITJI-VXGBXAGGSA-N 2 2 264.373 0.982 20 0 CCADLP CC[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001490251689 900581114 /nfs/dbraw/zinc/58/11/14/900581114.db2.gz SRPONOCMEJITJI-VXGBXAGGSA-N 2 2 264.373 0.982 20 0 CCADLP CC(C)C[NH2+]C/C=C/CNC(=O)Cn1cc[nH+]c1 ZINC001274632478 900936649 /nfs/dbraw/zinc/93/66/49/900936649.db2.gz VMUUTZBJEVHMRR-ONEGZZNKSA-N 2 2 250.346 0.801 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H](C(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC001411772132 901242603 /nfs/dbraw/zinc/24/26/03/901242603.db2.gz GSLXZCXOLPOFAB-GJZGRUSLSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[N@H+]1CCC[C@H](C(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC001411772132 901242616 /nfs/dbraw/zinc/24/26/16/901242616.db2.gz GSLXZCXOLPOFAB-GJZGRUSLSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[NH+]1CCC[C@H](C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001411772132 901242629 /nfs/dbraw/zinc/24/26/29/901242629.db2.gz GSLXZCXOLPOFAB-GJZGRUSLSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[NH+]1CCC[C@H](C(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC001411772132 901242642 /nfs/dbraw/zinc/24/26/42/901242642.db2.gz GSLXZCXOLPOFAB-GJZGRUSLSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)Cn1cc[nH+]c1 ZINC001412591398 901850539 /nfs/dbraw/zinc/85/05/39/901850539.db2.gz RSFLBLJOZQQHPT-ZIAGYGMSSA-N 2 2 294.399 0.604 20 0 CCADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001412693043 901953532 /nfs/dbraw/zinc/95/35/32/901953532.db2.gz JUHBMTKQGZOFHL-VXGBXAGGSA-N 2 2 290.367 0.035 20 0 CCADLP CN(C)c1ccccc1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC001413116941 902718503 /nfs/dbraw/zinc/71/85/03/902718503.db2.gz JZBZQMNXONLFSU-UHFFFAOYSA-N 2 2 290.411 0.616 20 0 CCADLP NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)o1 ZINC001413155129 902748748 /nfs/dbraw/zinc/74/87/48/902748748.db2.gz ISRAJAJHCUEFBH-MRVPVSSYSA-N 2 2 296.352 0.297 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H](C)CCNC(=O)CCn1cc[nH+]c1 ZINC001281740290 904338743 /nfs/dbraw/zinc/33/87/43/904338743.db2.gz RFZOEJPWEDUESE-NWDGAFQWSA-N 2 2 268.361 0.138 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001327863218 914818774 /nfs/dbraw/zinc/81/87/74/914818774.db2.gz FVTRPXQCPIAENC-QWRGUYRKSA-N 2 2 250.346 0.417 20 0 CCADLP C[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C[C@H]1CCCCO1 ZINC001377228889 904705580 /nfs/dbraw/zinc/70/55/80/904705580.db2.gz POMSHSVRHGAWFD-CYBMUJFWSA-N 2 2 280.372 0.569 20 0 CCADLP C[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C[C@H]1CCCCO1 ZINC001377228889 904705595 /nfs/dbraw/zinc/70/55/95/904705595.db2.gz POMSHSVRHGAWFD-CYBMUJFWSA-N 2 2 280.372 0.569 20 0 CCADLP COCCC[NH2+][C@H]1C[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001316625745 904804950 /nfs/dbraw/zinc/80/49/50/904804950.db2.gz JUWNKIUBLIMKGW-BETUJISGSA-N 2 2 294.399 0.782 20 0 CCADLP COCC[NH2+][C@@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001283690710 904960718 /nfs/dbraw/zinc/96/07/18/904960718.db2.gz JBEDTHLSGFVZEZ-JTQLQIEISA-N 2 2 254.334 0.035 20 0 CCADLP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C)c1csnn1 ZINC001377576109 905011144 /nfs/dbraw/zinc/01/11/44/905011144.db2.gz APHDCMDOLIQECL-ZYHUDNBSSA-N 2 2 297.428 0.741 20 0 CCADLP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C)c1csnn1 ZINC001377576109 905011163 /nfs/dbraw/zinc/01/11/63/905011163.db2.gz APHDCMDOLIQECL-ZYHUDNBSSA-N 2 2 297.428 0.741 20 0 CCADLP CC[C@@H](C[NH2+]CC1CC(NC(=O)Cc2c[nH]c[nH+]2)C1)OC ZINC001377729901 905120378 /nfs/dbraw/zinc/12/03/78/905120378.db2.gz XLLHAQUESXWROF-YIZWMMSDSA-N 2 2 294.399 0.862 20 0 CCADLP CC(C)OCC[NH+]1CC(NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001377938241 905261046 /nfs/dbraw/zinc/26/10/46/905261046.db2.gz WFBODKNCQMSVOI-CQSZACIVSA-N 2 2 285.432 0.798 20 0 CCADLP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)[C@@H](C)c1ncccn1 ZINC001378124918 905436155 /nfs/dbraw/zinc/43/61/55/905436155.db2.gz UTKKWOKVRWHUCF-STQMWFEESA-N 2 2 293.415 0.926 20 0 CCADLP C[C@@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)[C@@H](C)c1ncccn1 ZINC001378124918 905436161 /nfs/dbraw/zinc/43/61/61/905436161.db2.gz UTKKWOKVRWHUCF-STQMWFEESA-N 2 2 293.415 0.926 20 0 CCADLP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)[C@H](C)c1ncccn1 ZINC001378124909 905438149 /nfs/dbraw/zinc/43/81/49/905438149.db2.gz UTKKWOKVRWHUCF-CHWSQXEVSA-N 2 2 293.415 0.926 20 0 CCADLP C[C@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)[C@H](C)c1ncccn1 ZINC001378124909 905438153 /nfs/dbraw/zinc/43/81/53/905438153.db2.gz UTKKWOKVRWHUCF-CHWSQXEVSA-N 2 2 293.415 0.926 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC1(CCO)C[NH+](C(C)C)C1 ZINC001378361364 905608188 /nfs/dbraw/zinc/60/81/88/905608188.db2.gz KZJUYQSWWNHOST-AWEZNQCLSA-N 2 2 297.443 0.822 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)NC1(CCO)C[NH+](C(C)C)C1 ZINC001378361364 905608198 /nfs/dbraw/zinc/60/81/98/905608198.db2.gz KZJUYQSWWNHOST-AWEZNQCLSA-N 2 2 297.443 0.822 20 0 CCADLP COC[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001378510525 905647716 /nfs/dbraw/zinc/64/77/16/905647716.db2.gz MQHWKYLAEGHEII-WCQYABFASA-N 2 2 280.372 0.568 20 0 CCADLP O=C(C[NH+]1CCCC1)NC[C@H]1C[N@@H+](CCCF)CCO1 ZINC001378672541 905748025 /nfs/dbraw/zinc/74/80/25/905748025.db2.gz TWJMNJCOFDRVOC-ZDUSSCGKSA-N 2 2 287.379 0.259 20 0 CCADLP O=C(C[NH+]1CCCC1)NC[C@H]1C[N@H+](CCCF)CCO1 ZINC001378672541 905748005 /nfs/dbraw/zinc/74/80/05/905748005.db2.gz TWJMNJCOFDRVOC-ZDUSSCGKSA-N 2 2 287.379 0.259 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC001378752018 905796803 /nfs/dbraw/zinc/79/68/03/905796803.db2.gz JQVPGWJWZBIEEH-QKDCVEJESA-N 2 2 288.395 0.667 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC001378752018 905796816 /nfs/dbraw/zinc/79/68/16/905796816.db2.gz JQVPGWJWZBIEEH-QKDCVEJESA-N 2 2 288.395 0.667 20 0 CCADLP CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001378766192 905804829 /nfs/dbraw/zinc/80/48/29/905804829.db2.gz RUSMPMUHGOBDJQ-NEPJUHHUSA-N 2 2 280.372 0.568 20 0 CCADLP COCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001379085794 905987614 /nfs/dbraw/zinc/98/76/14/905987614.db2.gz YPCCKISGXQHDNX-CYBMUJFWSA-N 2 2 294.399 0.482 20 0 CCADLP COCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001379085794 905987632 /nfs/dbraw/zinc/98/76/32/905987632.db2.gz YPCCKISGXQHDNX-CYBMUJFWSA-N 2 2 294.399 0.482 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CC[N@H+](C)CCF ZINC001379135049 906013665 /nfs/dbraw/zinc/01/36/65/906013665.db2.gz YBQCYFCTYWJEQG-ZDUSSCGKSA-N 2 2 289.395 0.314 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CC[N@@H+](C)CCF ZINC001379135049 906013679 /nfs/dbraw/zinc/01/36/79/906013679.db2.gz YBQCYFCTYWJEQG-ZDUSSCGKSA-N 2 2 289.395 0.314 20 0 CCADLP CC(C)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001379245760 906086893 /nfs/dbraw/zinc/08/68/93/906086893.db2.gz HHIYYKRFGTVQEW-JHJVBQTASA-N 2 2 294.399 0.246 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)CC[NH+](C)C ZINC001290903054 906155134 /nfs/dbraw/zinc/15/51/34/906155134.db2.gz YHTDDFDJVVOBQT-RYUDHWBXSA-N 2 2 252.362 0.976 20 0 CCADLP C[C@H](C[NH2+]Cc1csnn1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001379347048 906170900 /nfs/dbraw/zinc/17/09/00/906170900.db2.gz HBFXXHWHFDKVIA-KOLCDFICSA-N 2 2 283.401 0.227 20 0 CCADLP C[C@H](C[NH2+]Cc1csnn1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001379347048 906170905 /nfs/dbraw/zinc/17/09/05/906170905.db2.gz HBFXXHWHFDKVIA-KOLCDFICSA-N 2 2 283.401 0.227 20 0 CCADLP Cc1ncoc1C[NH2+]C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001379399858 906216241 /nfs/dbraw/zinc/21/62/41/906216241.db2.gz CBTXFQDXBALKRB-LLVKDONJSA-N 2 2 291.355 0.864 20 0 CCADLP CC(C)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001379439843 906243638 /nfs/dbraw/zinc/24/36/38/906243638.db2.gz VQDCFRDUJDQWNF-CHWSQXEVSA-N 2 2 294.399 0.168 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]C[C@H](C)NC(=O)C[NH+]2CCCC2)[nH]1 ZINC001379602018 906375113 /nfs/dbraw/zinc/37/51/13/906375113.db2.gz XTPMHMYOOUPLDB-WDEREUQCSA-N 2 2 294.403 0.364 20 0 CCADLP C[C@@H]1[C@H](NC(=O)CCn2cc[nH+]c2)CCC[N@@H+]1CCO ZINC001379652950 906414793 /nfs/dbraw/zinc/41/47/93/906414793.db2.gz HVWCHCIRUSUBNW-CHWSQXEVSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@@H]1[C@H](NC(=O)CCn2cc[nH+]c2)CCC[N@H+]1CCO ZINC001379652950 906414799 /nfs/dbraw/zinc/41/47/99/906414799.db2.gz HVWCHCIRUSUBNW-CHWSQXEVSA-N 2 2 280.372 0.235 20 0 CCADLP CC(C)[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001379799316 906485134 /nfs/dbraw/zinc/48/51/34/906485134.db2.gz IWSTWQOLSSJZER-TZMCWYRMSA-N 2 2 294.399 0.263 20 0 CCADLP CC(C)[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001379842220 906500195 /nfs/dbraw/zinc/50/01/95/906500195.db2.gz MAXTYYFMMAGOJV-WCQYABFASA-N 2 2 282.388 0.406 20 0 CCADLP CC(C)[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001379842220 906500201 /nfs/dbraw/zinc/50/02/01/906500201.db2.gz MAXTYYFMMAGOJV-WCQYABFASA-N 2 2 282.388 0.406 20 0 CCADLP CO[C@H](C)C[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001380174582 906667751 /nfs/dbraw/zinc/66/77/51/906667751.db2.gz MZRXLSFCAHQTRA-XSRFYTQQSA-N 2 2 280.372 0.566 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@]1(O)CC[N@H+](CC2CC2)C1 ZINC001380535849 906806234 /nfs/dbraw/zinc/80/62/34/906806234.db2.gz NXFYRNYIRDZTCT-OAHLLOKOSA-N 2 2 292.383 0.305 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001380535849 906806249 /nfs/dbraw/zinc/80/62/49/906806249.db2.gz NXFYRNYIRDZTCT-OAHLLOKOSA-N 2 2 292.383 0.305 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@]1(O)CC[N@H+](CC2CC2)C1 ZINC001380535849 906806262 /nfs/dbraw/zinc/80/62/62/906806262.db2.gz NXFYRNYIRDZTCT-OAHLLOKOSA-N 2 2 292.383 0.305 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001380535849 906806278 /nfs/dbraw/zinc/80/62/78/906806278.db2.gz NXFYRNYIRDZTCT-OAHLLOKOSA-N 2 2 292.383 0.305 20 0 CCADLP CC[N@@H+]1CCC[C@](CO)(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001380735303 906921403 /nfs/dbraw/zinc/92/14/03/906921403.db2.gz DBSJQVDSDCOQPY-HNNXBMFYSA-N 2 2 294.399 0.316 20 0 CCADLP CC[N@H+]1CCC[C@](CO)(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001380735303 906921424 /nfs/dbraw/zinc/92/14/24/906921424.db2.gz DBSJQVDSDCOQPY-HNNXBMFYSA-N 2 2 294.399 0.316 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1CCC[N@@H+](CCO)CC1 ZINC001380948413 907005634 /nfs/dbraw/zinc/00/56/34/907005634.db2.gz NEBWWRFJKQJDNC-CQSZACIVSA-N 2 2 294.399 0.626 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1CCC[N@H+](CCO)CC1 ZINC001380948413 907005652 /nfs/dbraw/zinc/00/56/52/907005652.db2.gz NEBWWRFJKQJDNC-CQSZACIVSA-N 2 2 294.399 0.626 20 0 CCADLP CN(CCC[N@H+](C)CCO)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001380969631 907022953 /nfs/dbraw/zinc/02/29/53/907022953.db2.gz HDHPEQNKMFOUCF-CYBMUJFWSA-N 2 2 294.399 0.218 20 0 CCADLP CN(CCC[N@@H+](C)CCO)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001380969631 907022970 /nfs/dbraw/zinc/02/29/70/907022970.db2.gz HDHPEQNKMFOUCF-CYBMUJFWSA-N 2 2 294.399 0.218 20 0 CCADLP CC[NH2+]CC1(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCOCC1 ZINC001381063762 907060320 /nfs/dbraw/zinc/06/03/20/907060320.db2.gz BZZMAZQPFBXPCF-GFCCVEGCSA-N 2 2 294.399 0.863 20 0 CCADLP CC[NH2+]CC1(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCOCC1 ZINC001381063762 907060341 /nfs/dbraw/zinc/06/03/41/907060341.db2.gz BZZMAZQPFBXPCF-GFCCVEGCSA-N 2 2 294.399 0.863 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]1C[N@H+](C)CCF ZINC001381294901 907149307 /nfs/dbraw/zinc/14/93/07/907149307.db2.gz UIUDBCTXVHGGDJ-LBPRGKRZSA-N 2 2 282.363 0.855 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]1C[N@@H+](C)CCF ZINC001381294901 907149318 /nfs/dbraw/zinc/14/93/18/907149318.db2.gz UIUDBCTXVHGGDJ-LBPRGKRZSA-N 2 2 282.363 0.855 20 0 CCADLP CCc1noc(C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C)n1 ZINC001491568987 907437534 /nfs/dbraw/zinc/43/75/34/907437534.db2.gz OBFWHRDAWLNMPB-SNVBAGLBSA-N 2 2 283.376 0.178 20 0 CCADLP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1nncs1 ZINC001491674024 907526086 /nfs/dbraw/zinc/52/60/86/907526086.db2.gz KYWRPVJFYHIGAD-SNVBAGLBSA-N 2 2 283.401 0.228 20 0 CCADLP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1csnn1 ZINC001382112352 907550820 /nfs/dbraw/zinc/55/08/20/907550820.db2.gz LFRBZFMDAWSFTQ-SNVBAGLBSA-N 2 2 285.417 0.426 20 0 CCADLP COCC[NH2+][C@@H](C)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001492115324 907708542 /nfs/dbraw/zinc/70/85/42/907708542.db2.gz RNAPALMRSZFFAH-JTQLQIEISA-N 2 2 268.361 0.391 20 0 CCADLP COCCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001317066430 908957241 /nfs/dbraw/zinc/95/72/41/908957241.db2.gz QZAMVSFRKAHRQY-LBPRGKRZSA-N 2 2 280.372 0.488 20 0 CCADLP COCCC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001317129884 909001597 /nfs/dbraw/zinc/00/15/97/909001597.db2.gz XRIGFOUEARKHDY-TXEJJXNPSA-N 2 2 266.345 0.156 20 0 CCADLP COCC[NH2+]C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001317155529 909018633 /nfs/dbraw/zinc/01/86/33/909018633.db2.gz UGNLNMGCLVBJHV-CQSZACIVSA-N 2 2 294.399 0.748 20 0 CCADLP CCOCC[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001317178426 909033059 /nfs/dbraw/zinc/03/30/59/909033059.db2.gz YBAVFFCNZFYQEC-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP CCOCC[N@H+]1CCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001317178426 909033075 /nfs/dbraw/zinc/03/30/75/909033075.db2.gz YBAVFFCNZFYQEC-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP CCCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001317310887 909134809 /nfs/dbraw/zinc/13/48/09/909134809.db2.gz BBZUVCWVESUNAZ-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP CCOCC[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001317533539 909304819 /nfs/dbraw/zinc/30/48/19/909304819.db2.gz WIYFOCJWEBVCQL-CYBMUJFWSA-N 2 2 294.399 0.437 20 0 CCADLP CCOCC[N@H+]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001317533539 909304838 /nfs/dbraw/zinc/30/48/38/909304838.db2.gz WIYFOCJWEBVCQL-CYBMUJFWSA-N 2 2 294.399 0.437 20 0 CCADLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@@H](O)CCC2(O)CCC2)C1 ZINC001338493296 921485641 /nfs/dbraw/zinc/48/56/41/921485641.db2.gz ZDZADEHIWUKYME-KGLIPLIRSA-N 2 2 270.417 0.974 20 0 CCADLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@@H](O)CCC2(O)CCC2)C1 ZINC001338493296 921485648 /nfs/dbraw/zinc/48/56/48/921485648.db2.gz ZDZADEHIWUKYME-KGLIPLIRSA-N 2 2 270.417 0.974 20 0 CCADLP C[C@@H]1CC[N@H+](CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001417653395 921500906 /nfs/dbraw/zinc/50/09/06/921500906.db2.gz SGYZDSLELCFPFD-OLZOCXBDSA-N 2 2 276.384 0.904 20 0 CCADLP C[C@@H]1CC[N@@H+](CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001417653395 921500915 /nfs/dbraw/zinc/50/09/15/921500915.db2.gz SGYZDSLELCFPFD-OLZOCXBDSA-N 2 2 276.384 0.904 20 0 CCADLP CC(C)(O)C[C@@H](O)C[NH2+]CC(C)(C)n1cc[nH+]c1 ZINC001338568059 921513287 /nfs/dbraw/zinc/51/32/87/921513287.db2.gz RSAKSYXIQCRTKW-LLVKDONJSA-N 2 2 255.362 0.730 20 0 CCADLP CC1(CNC(=O)NCC[NH+]2CCC([NH3+])CC2)CC1 ZINC001338567702 921513463 /nfs/dbraw/zinc/51/34/63/921513463.db2.gz PUZDYWBPWCKFFM-UHFFFAOYSA-N 2 2 254.378 0.509 20 0 CCADLP CC(C)[NH+](C)CC(=O)N(C)[C@@H]1CC[N@H+](CCF)C1 ZINC001318446411 909759639 /nfs/dbraw/zinc/75/96/39/909759639.db2.gz VMIJMVYSTOYRGY-GFCCVEGCSA-N 2 2 259.369 0.829 20 0 CCADLP CC(C)[NH+](C)CC(=O)N(C)[C@@H]1CC[N@@H+](CCF)C1 ZINC001318446411 909759645 /nfs/dbraw/zinc/75/96/45/909759645.db2.gz VMIJMVYSTOYRGY-GFCCVEGCSA-N 2 2 259.369 0.829 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](CCF)C1 ZINC001318446411 909759620 /nfs/dbraw/zinc/75/96/20/909759620.db2.gz VMIJMVYSTOYRGY-GFCCVEGCSA-N 2 2 259.369 0.829 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](CCF)C1 ZINC001318446411 909759630 /nfs/dbraw/zinc/75/96/30/909759630.db2.gz VMIJMVYSTOYRGY-GFCCVEGCSA-N 2 2 259.369 0.829 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]([NH2+]C/C=C/Cl)C1 ZINC001389907164 910136944 /nfs/dbraw/zinc/13/69/44/910136944.db2.gz ZLLYMLFZJFVQIV-YAIMSXOKSA-N 2 2 282.775 0.952 20 0 CCADLP C[C@H](C[NH2+]CCCF)N(C)C(=O)Cc1c[nH+]cn1C ZINC001319561246 910203780 /nfs/dbraw/zinc/20/37/80/910203780.db2.gz VBNFFDPWMIQXRP-LLVKDONJSA-N 2 2 270.352 0.759 20 0 CCADLP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCC[N@H+](CCCO)C1 ZINC001390194892 910268795 /nfs/dbraw/zinc/26/87/95/910268795.db2.gz OGMPGRFTPUYKCN-QWHCGFSZSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001390194892 910268813 /nfs/dbraw/zinc/26/88/13/910268813.db2.gz OGMPGRFTPUYKCN-QWHCGFSZSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C)n1cc[nH+]c1 ZINC001319744435 910276977 /nfs/dbraw/zinc/27/69/77/910276977.db2.gz VDUYOWOLSHBTTE-WOPDTQHZSA-N 2 2 250.346 0.995 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C)n1cc[nH+]c1 ZINC001319744435 910276997 /nfs/dbraw/zinc/27/69/97/910276997.db2.gz VDUYOWOLSHBTTE-WOPDTQHZSA-N 2 2 250.346 0.995 20 0 CCADLP CC(C)=CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001320235168 910543508 /nfs/dbraw/zinc/54/35/08/910543508.db2.gz NQOSGRRSPGTNCV-YNEHKIRRSA-N 2 2 292.383 0.546 20 0 CCADLP CC(C)=CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001320235168 910543524 /nfs/dbraw/zinc/54/35/24/910543524.db2.gz NQOSGRRSPGTNCV-YNEHKIRRSA-N 2 2 292.383 0.546 20 0 CCADLP CC(C)=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001320235167 910545720 /nfs/dbraw/zinc/54/57/20/910545720.db2.gz NQOSGRRSPGTNCV-JHJVBQTASA-N 2 2 292.383 0.546 20 0 CCADLP CC(C)=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001320235167 910545726 /nfs/dbraw/zinc/54/57/26/910545726.db2.gz NQOSGRRSPGTNCV-JHJVBQTASA-N 2 2 292.383 0.546 20 0 CCADLP O=C(NC[C@H](O)C[NH2+]CCCF)c1cccc2[nH+]ccn21 ZINC001320247913 910556827 /nfs/dbraw/zinc/55/68/27/910556827.db2.gz UMUQGGDKRDLUJJ-LLVKDONJSA-N 2 2 294.330 0.374 20 0 CCADLP C[N@H+](CCNC(=O)CCn1cc[nH+]c1)CC[C@@H]1CCOC1 ZINC001390788677 910681847 /nfs/dbraw/zinc/68/18/47/910681847.db2.gz DCDCLSZPXGWPBD-CQSZACIVSA-N 2 2 294.399 0.748 20 0 CCADLP C[N@@H+](CCNC(=O)CCn1cc[nH+]c1)CC[C@@H]1CCOC1 ZINC001390788677 910681857 /nfs/dbraw/zinc/68/18/57/910681857.db2.gz DCDCLSZPXGWPBD-CQSZACIVSA-N 2 2 294.399 0.748 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@H+](C)CCCF ZINC001390827812 910711838 /nfs/dbraw/zinc/71/18/38/910711838.db2.gz CWDHHBRZRVNHQY-LLVKDONJSA-N 2 2 270.352 0.996 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@@H+](C)CCCF ZINC001390827812 910711848 /nfs/dbraw/zinc/71/18/48/910711848.db2.gz CWDHHBRZRVNHQY-LLVKDONJSA-N 2 2 270.352 0.996 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@H+](C)CCCF ZINC001390827812 910711859 /nfs/dbraw/zinc/71/18/59/910711859.db2.gz CWDHHBRZRVNHQY-LLVKDONJSA-N 2 2 270.352 0.996 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@@H+](C)CCCF ZINC001390827812 910711863 /nfs/dbraw/zinc/71/18/63/910711863.db2.gz CWDHHBRZRVNHQY-LLVKDONJSA-N 2 2 270.352 0.996 20 0 CCADLP C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)Cc1ccns1 ZINC001390843762 910722884 /nfs/dbraw/zinc/72/28/84/910722884.db2.gz HVNVVAUDAOKIJJ-UHFFFAOYSA-N 2 2 294.424 0.787 20 0 CCADLP C[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)Cc1ccns1 ZINC001390843762 910722902 /nfs/dbraw/zinc/72/29/02/910722902.db2.gz HVNVVAUDAOKIJJ-UHFFFAOYSA-N 2 2 294.424 0.787 20 0 CCADLP CNC(=O)C[NH2+]CC[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001320563747 910743317 /nfs/dbraw/zinc/74/33/17/910743317.db2.gz PFOMCKIUSAMNIP-RYUDHWBXSA-N 2 2 295.387 0.065 20 0 CCADLP C[N@H+](CCNC(=O)Cn1cc[nH+]c1)CCC1CCOCC1 ZINC001390874318 910748351 /nfs/dbraw/zinc/74/83/51/910748351.db2.gz NFPHCEWXWRDGNJ-UHFFFAOYSA-N 2 2 294.399 0.748 20 0 CCADLP C[N@@H+](CCNC(=O)Cn1cc[nH+]c1)CCC1CCOCC1 ZINC001390874318 910748369 /nfs/dbraw/zinc/74/83/69/910748369.db2.gz NFPHCEWXWRDGNJ-UHFFFAOYSA-N 2 2 294.399 0.748 20 0 CCADLP COCC[N@@H+]1CC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001391096868 910875819 /nfs/dbraw/zinc/87/58/19/910875819.db2.gz MWYIKPYEQREVQK-ZDUSSCGKSA-N 2 2 280.372 0.358 20 0 CCADLP COCC[N@H+]1CC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001391096868 910875822 /nfs/dbraw/zinc/87/58/22/910875822.db2.gz MWYIKPYEQREVQK-ZDUSSCGKSA-N 2 2 280.372 0.358 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]C/C=C/CNC(=O)CC[NH+](C)C)o1 ZINC001321220192 911171892 /nfs/dbraw/zinc/17/18/92/911171892.db2.gz AJBQXDJMSLUTBM-QRGHLMKCSA-N 2 2 295.387 0.653 20 0 CCADLP Cc1cnc(C[NH2+]C/C=C/CNC(=O)CC[NH+](C)C)o1 ZINC001321224746 911173128 /nfs/dbraw/zinc/17/31/28/911173128.db2.gz VCQVLUKYZINKKD-SNAWJCMRSA-N 2 2 280.372 0.697 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001391863166 911425203 /nfs/dbraw/zinc/42/52/03/911425203.db2.gz ZTCFWJXSRWIZMS-GXTWGEPZSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001391863166 911425210 /nfs/dbraw/zinc/42/52/10/911425210.db2.gz ZTCFWJXSRWIZMS-GXTWGEPZSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001391858119 911426832 /nfs/dbraw/zinc/42/68/32/911426832.db2.gz OMWXXTWKRDPOSY-QWHCGFSZSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@@H](C[NH2+]C/C=C/Cl)NC(=O)Cc1c[nH]c[nH+]1 ZINC001322001949 911616470 /nfs/dbraw/zinc/61/64/70/911616470.db2.gz FVNIEDTYXIUKOX-HPOULIHZSA-N 2 2 256.737 0.799 20 0 CCADLP C[C@@H](C(=O)NCC1CC[NH+](C)CC1)n1cc[nH+]c1 ZINC001322289165 911747161 /nfs/dbraw/zinc/74/71/61/911747161.db2.gz FGELHLQBFPWFPP-NSHDSACASA-N 2 2 250.346 0.902 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@H](C)n2cc[nH+]c2)[C@@H](C)C1 ZINC001322677668 911911237 /nfs/dbraw/zinc/91/12/37/911911237.db2.gz KPIKRKYQAOTPRC-RYUDHWBXSA-N 2 2 250.346 0.997 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@H](C)n2cc[nH+]c2)[C@@H](C)C1 ZINC001322677668 911911243 /nfs/dbraw/zinc/91/12/43/911911243.db2.gz KPIKRKYQAOTPRC-RYUDHWBXSA-N 2 2 250.346 0.997 20 0 CCADLP COCCO[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC001323084570 912105407 /nfs/dbraw/zinc/10/54/07/912105407.db2.gz DILDKCPENJSVCH-GJZGRUSLSA-N 2 2 286.416 0.571 20 0 CCADLP COCCO[C@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC001323084570 912105403 /nfs/dbraw/zinc/10/54/03/912105403.db2.gz DILDKCPENJSVCH-GJZGRUSLSA-N 2 2 286.416 0.571 20 0 CCADLP CCOCCC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001327959896 914891044 /nfs/dbraw/zinc/89/10/44/914891044.db2.gz TZJFHHZBBMAQLU-KBPBESRZSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]C[C@H]1CCCOC1 ZINC001399040372 915015000 /nfs/dbraw/zinc/01/50/00/915015000.db2.gz NUWAWIBZPMRAOF-ZIAGYGMSSA-N 2 2 294.399 0.794 20 0 CCADLP CCOCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC001328276725 915073261 /nfs/dbraw/zinc/07/32/61/915073261.db2.gz BRLUHNHNZQJOIE-STQMWFEESA-N 2 2 294.399 0.958 20 0 CCADLP CCOCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC001328276725 915073278 /nfs/dbraw/zinc/07/32/78/915073278.db2.gz BRLUHNHNZQJOIE-STQMWFEESA-N 2 2 294.399 0.958 20 0 CCADLP CC[NH2+][C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001417987348 921750464 /nfs/dbraw/zinc/75/04/64/921750464.db2.gz YQKXMAXEMKZONE-TZMCWYRMSA-N 2 2 276.384 0.950 20 0 CCADLP Cc1ncc(C[NH+](C)CCNC(=O)C[N@H+]2CC[C@@H](C)C2)o1 ZINC001399571831 915241539 /nfs/dbraw/zinc/24/15/39/915241539.db2.gz AHALZDUTAJNUOH-GFCCVEGCSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1ncc(C[NH+](C)CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)o1 ZINC001399571831 915241551 /nfs/dbraw/zinc/24/15/51/915241551.db2.gz AHALZDUTAJNUOH-GFCCVEGCSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1ncc(C[N@@H+](C)CCNC(=O)C[NH+]2CC[C@@H](C)C2)o1 ZINC001399571831 915241569 /nfs/dbraw/zinc/24/15/69/915241569.db2.gz AHALZDUTAJNUOH-GFCCVEGCSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1ncc(C[N@H+](C)CCNC(=O)C[NH+]2CC[C@@H](C)C2)o1 ZINC001399571831 915241582 /nfs/dbraw/zinc/24/15/82/915241582.db2.gz AHALZDUTAJNUOH-GFCCVEGCSA-N 2 2 294.399 0.873 20 0 CCADLP CC(C)OCC[N@@H+]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001399922735 915451834 /nfs/dbraw/zinc/45/18/34/915451834.db2.gz DTBHHRQUXSDIPT-ZDUSSCGKSA-N 2 2 294.399 0.815 20 0 CCADLP CC(C)OCC[N@H+]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001399922735 915451844 /nfs/dbraw/zinc/45/18/44/915451844.db2.gz DTBHHRQUXSDIPT-ZDUSSCGKSA-N 2 2 294.399 0.815 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@H+](CCCO)C1CC1 ZINC001400050693 915528024 /nfs/dbraw/zinc/52/80/24/915528024.db2.gz PJYOUYRAGSTJMG-UHFFFAOYSA-N 2 2 280.372 0.224 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@@H+](CCCO)C1CC1 ZINC001400050693 915528034 /nfs/dbraw/zinc/52/80/34/915528034.db2.gz PJYOUYRAGSTJMG-UHFFFAOYSA-N 2 2 280.372 0.224 20 0 CCADLP C[C@@H]([NH2+]CCCO)[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001329044462 915621215 /nfs/dbraw/zinc/62/12/15/915621215.db2.gz FITRPEVBTVWGOV-MNOVXSKESA-N 2 2 268.361 0.208 20 0 CCADLP C[C@@H]([NH2+]CCCO)[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001329044462 915621229 /nfs/dbraw/zinc/62/12/29/915621229.db2.gz FITRPEVBTVWGOV-MNOVXSKESA-N 2 2 268.361 0.208 20 0 CCADLP C[C@H](O)C[N@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001400231093 915631675 /nfs/dbraw/zinc/63/16/75/915631675.db2.gz PNDRSJBSYNZOGI-NWDGAFQWSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@H](O)C[N@@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001400231093 915631684 /nfs/dbraw/zinc/63/16/84/915631684.db2.gz PNDRSJBSYNZOGI-NWDGAFQWSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]CCCF ZINC001329153072 915713225 /nfs/dbraw/zinc/71/32/25/915713225.db2.gz UFXAQLAMWMYBJA-VHSXEESVSA-N 2 2 256.325 0.795 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)CCc2c[nH+]cn2C)C1 ZINC001400732724 915900031 /nfs/dbraw/zinc/90/00/31/915900031.db2.gz DIUADTLRDBOZGH-OCCSQVGLSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)CCc2c[nH+]cn2C)C1 ZINC001400732724 915900043 /nfs/dbraw/zinc/90/00/43/915900043.db2.gz DIUADTLRDBOZGH-OCCSQVGLSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@@H](C[NH2+]Cc1ccnn1C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001401266439 916154039 /nfs/dbraw/zinc/15/40/39/916154039.db2.gz JCOTXQRJZJXYJP-LBPRGKRZSA-N 2 2 290.371 0.253 20 0 CCADLP CN(CC[N@H+](C)CC(N)=O)C(=O)CCC[NH+]1CCCCC1 ZINC001401439210 916253709 /nfs/dbraw/zinc/25/37/09/916253709.db2.gz OGYNVDPJAHXRQW-UHFFFAOYSA-N 2 2 298.431 0.128 20 0 CCADLP CN(CC[N@@H+](C)CC(N)=O)C(=O)CCC[NH+]1CCCCC1 ZINC001401439210 916253730 /nfs/dbraw/zinc/25/37/30/916253730.db2.gz OGYNVDPJAHXRQW-UHFFFAOYSA-N 2 2 298.431 0.128 20 0 CCADLP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cnn(C)c1 ZINC001330119413 916418521 /nfs/dbraw/zinc/41/85/21/916418521.db2.gz PUDRLPOEHXNNTG-QMMMGPOBSA-N 2 2 262.317 0.225 20 0 CCADLP C[C@@H](C[NH2+]Cc1ccns1)NC(=O)Cn1cc[nH+]c1 ZINC001401728389 916520072 /nfs/dbraw/zinc/52/00/72/916520072.db2.gz OIKJRVHRXVRWDC-JTQLQIEISA-N 2 2 279.369 0.634 20 0 CCADLP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC001330343518 916566084 /nfs/dbraw/zinc/56/60/84/916566084.db2.gz QTXKTRNTBNZOSJ-VZLFFANISA-N 2 2 295.427 0.864 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001402063366 916784493 /nfs/dbraw/zinc/78/44/93/916784493.db2.gz VLMXXMYWWGFMSV-AAEUAGOBSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001402063366 916784503 /nfs/dbraw/zinc/78/45/03/916784503.db2.gz VLMXXMYWWGFMSV-AAEUAGOBSA-N 2 2 280.372 0.304 20 0 CCADLP CC(=O)NCC[NH+]1CCC([NH2+]C[C@H]2C[C@]23CCOC3)CC1 ZINC001402428359 917009055 /nfs/dbraw/zinc/00/90/55/917009055.db2.gz CWFPFWSPSSXTNQ-ZBFHGGJFSA-N 2 2 295.427 0.603 20 0 CCADLP CCC[N@H+](C)CCC(=O)NC[C@@H]1COCC[NH+]1CC ZINC001402540959 917085545 /nfs/dbraw/zinc/08/55/45/917085545.db2.gz ZLDOFMJJBVQYIR-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[N@@H+](C)CCC(=O)NC[C@@H]1COCC[NH+]1CC ZINC001402540959 917085562 /nfs/dbraw/zinc/08/55/62/917085562.db2.gz ZLDOFMJJBVQYIR-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[NH+](C)CCC(=O)NC[C@@H]1COCC[N@@H+]1CC ZINC001402540959 917085577 /nfs/dbraw/zinc/08/55/77/917085577.db2.gz ZLDOFMJJBVQYIR-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[NH+](C)CCC(=O)NC[C@@H]1COCC[N@H+]1CC ZINC001402540959 917085593 /nfs/dbraw/zinc/08/55/93/917085593.db2.gz ZLDOFMJJBVQYIR-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001402589130 917114230 /nfs/dbraw/zinc/11/42/30/917114230.db2.gz IWGBDDLSTVOVAW-RWMBFGLXSA-N 2 2 294.399 0.624 20 0 CCADLP CC[C@H](C)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001402610655 917125680 /nfs/dbraw/zinc/12/56/80/917125680.db2.gz WIOSLWWSWZGBNY-JSGCOSHPSA-N 2 2 294.399 0.815 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)o1 ZINC001402896075 917325229 /nfs/dbraw/zinc/32/52/29/917325229.db2.gz STMVBWBZYAZILC-HOSYDEDBSA-N 2 2 295.387 0.313 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)o1 ZINC001402896075 917325232 /nfs/dbraw/zinc/32/52/32/917325232.db2.gz STMVBWBZYAZILC-HOSYDEDBSA-N 2 2 295.387 0.313 20 0 CCADLP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cnsn1 ZINC001403014502 917421545 /nfs/dbraw/zinc/42/15/45/917421545.db2.gz HMXRMPVHBDBHOJ-WDEREUQCSA-N 2 2 299.444 0.863 20 0 CCADLP CC[N@@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cnsn1 ZINC001403014502 917421554 /nfs/dbraw/zinc/42/15/54/917421554.db2.gz HMXRMPVHBDBHOJ-WDEREUQCSA-N 2 2 299.444 0.863 20 0 CCADLP Cc1noc(C[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]2CCCC2)n1 ZINC001403029396 917429305 /nfs/dbraw/zinc/42/93/05/917429305.db2.gz GMIQAITYFXEZMF-MNOVXSKESA-N 2 2 295.387 0.457 20 0 CCADLP Cc1nn(C)cc1C[NH2+][C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001403069644 917456852 /nfs/dbraw/zinc/45/68/52/917456852.db2.gz MGXPIFZRHQOMKV-JTQLQIEISA-N 2 2 290.371 0.289 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)CNC(=O)Cn2cc[nH+]c2C)o1 ZINC001403143712 917528813 /nfs/dbraw/zinc/52/88/13/917528813.db2.gz PVAQJKXRMCMVGW-SECBINFHSA-N 2 2 292.343 0.177 20 0 CCADLP COCC[NH2+][C@@H](CO)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001331760826 917582025 /nfs/dbraw/zinc/58/20/25/917582025.db2.gz WYFDIBMPBCRYLV-CYBMUJFWSA-N 2 2 295.383 0.334 20 0 CCADLP CC(C)[C@@H](CCNC(=O)Cc1c[nH+]cn1C)[NH2+]CCO ZINC001403479498 917731552 /nfs/dbraw/zinc/73/15/52/917731552.db2.gz MHWLPFUAXHIXBS-CYBMUJFWSA-N 2 2 282.388 0.075 20 0 CCADLP COC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001403627447 917857334 /nfs/dbraw/zinc/85/73/34/917857334.db2.gz YZCCNNAPOWBSLU-CHWSQXEVSA-N 2 2 294.399 0.528 20 0 CCADLP COC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001403627447 917857352 /nfs/dbraw/zinc/85/73/52/917857352.db2.gz YZCCNNAPOWBSLU-CHWSQXEVSA-N 2 2 294.399 0.528 20 0 CCADLP CC[C@@H](C(=O)NCC[N@H+](C)Cc1ocnc1C)[NH+](C)C ZINC001403684309 917923692 /nfs/dbraw/zinc/92/36/92/917923692.db2.gz HFSPDCBOSOQTOW-LBPRGKRZSA-N 2 2 282.388 0.871 20 0 CCADLP CC[C@@H](C(=O)NCC[N@@H+](C)Cc1ocnc1C)[NH+](C)C ZINC001403684309 917923702 /nfs/dbraw/zinc/92/37/02/917923702.db2.gz HFSPDCBOSOQTOW-LBPRGKRZSA-N 2 2 282.388 0.871 20 0 CCADLP CC[C@H](C[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1)OC ZINC001404030304 918178232 /nfs/dbraw/zinc/17/82/32/918178232.db2.gz UAYREIQLTSRVPG-UXUKBGGZSA-N 2 2 294.399 0.956 20 0 CCADLP COC[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001404030952 918178553 /nfs/dbraw/zinc/17/85/53/918178553.db2.gz ZZLQFPXKVYGUGS-STQMWFEESA-N 2 2 294.399 0.578 20 0 CCADLP COC[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001404030952 918178562 /nfs/dbraw/zinc/17/85/62/918178562.db2.gz ZZLQFPXKVYGUGS-STQMWFEESA-N 2 2 294.399 0.578 20 0 CCADLP C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC001332517429 918243836 /nfs/dbraw/zinc/24/38/36/918243836.db2.gz RCDGGFDFQSMZPY-RYUDHWBXSA-N 2 2 250.346 0.902 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NC23CC[NH+](CC2)C3)no1 ZINC001332707969 918396120 /nfs/dbraw/zinc/39/61/20/918396120.db2.gz RQRTUEVPGWCFHI-UHFFFAOYSA-N 2 2 264.329 0.314 20 0 CCADLP CC[C@H](C)C[NH+]1CC(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001404810594 918479310 /nfs/dbraw/zinc/47/93/10/918479310.db2.gz LDPWZFZOTKJGFD-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@H](O)C[NH+]1CC(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001404835790 918485818 /nfs/dbraw/zinc/48/58/18/918485818.db2.gz KALSWBRRZHRRHR-ZDUSSCGKSA-N 2 2 283.416 0.434 20 0 CCADLP C[C@H](CC(=O)NCC1C[NH+](CCCO)C1)n1cc[nH+]c1 ZINC001404895248 918510080 /nfs/dbraw/zinc/51/00/80/918510080.db2.gz VGOCQLDZGXUIMY-GFCCVEGCSA-N 2 2 280.372 0.265 20 0 CCADLP CNC(=O)C[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC001332944537 918550504 /nfs/dbraw/zinc/55/05/04/918550504.db2.gz CXIULQIDYRYCCH-AAEUAGOBSA-N 2 2 269.389 0.354 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001405595743 918814788 /nfs/dbraw/zinc/81/47/88/918814788.db2.gz YBUWFNOCFAQDJA-CHWSQXEVSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C1CCN(C(N)=O)CC1 ZINC001333480525 918939917 /nfs/dbraw/zinc/93/99/17/918939917.db2.gz VDFUMIKFDVTDRL-LLVKDONJSA-N 2 2 254.378 0.603 20 0 CCADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C1CCN(C(N)=O)CC1 ZINC001333480525 918939931 /nfs/dbraw/zinc/93/99/31/918939931.db2.gz VDFUMIKFDVTDRL-LLVKDONJSA-N 2 2 254.378 0.603 20 0 CCADLP C[C@H](C[NH2+]C[C@H]1CCCOC1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001405873076 918951807 /nfs/dbraw/zinc/95/18/07/918951807.db2.gz LSHOYNLHEQRHAA-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]([NH2+]C[C@@H](C)O)C(C)C ZINC001406075623 919033196 /nfs/dbraw/zinc/03/31/96/919033196.db2.gz ZKTFMBPMLZXNRX-ZWNOBZJWSA-N 2 2 282.388 0.372 20 0 CCADLP CC[N@H+](C)CCC(=O)N(C)CC[NH+](C)Cc1cncn1C ZINC001406143267 919076953 /nfs/dbraw/zinc/07/69/53/919076953.db2.gz ADEYWKGLUBJULL-UHFFFAOYSA-N 2 2 295.431 0.652 20 0 CCADLP CC[N@@H+](C)CCC(=O)N(C)CC[NH+](C)Cc1cncn1C ZINC001406143267 919076967 /nfs/dbraw/zinc/07/69/67/919076967.db2.gz ADEYWKGLUBJULL-UHFFFAOYSA-N 2 2 295.431 0.652 20 0 CCADLP CC[NH+](C)CCC(=O)N(C)CC[N@H+](C)Cc1cncn1C ZINC001406143267 919076982 /nfs/dbraw/zinc/07/69/82/919076982.db2.gz ADEYWKGLUBJULL-UHFFFAOYSA-N 2 2 295.431 0.652 20 0 CCADLP CC[NH+](C)CCC(=O)N(C)CC[N@@H+](C)Cc1cncn1C ZINC001406143267 919076997 /nfs/dbraw/zinc/07/69/97/919076997.db2.gz ADEYWKGLUBJULL-UHFFFAOYSA-N 2 2 295.431 0.652 20 0 CCADLP CC(=O)OC[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001333709115 919114569 /nfs/dbraw/zinc/11/45/69/919114569.db2.gz AMDPCWPDSNVMIP-WCFLWFBJSA-N 2 2 256.346 0.391 20 0 CCADLP CC(=O)OC[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001333709115 919114582 /nfs/dbraw/zinc/11/45/82/919114582.db2.gz AMDPCWPDSNVMIP-WCFLWFBJSA-N 2 2 256.346 0.391 20 0 CCADLP CC(C)C[NH2+]C[C@@H](O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001406234010 919129666 /nfs/dbraw/zinc/12/96/66/919129666.db2.gz ARNIOFQDKWVQQK-GFCCVEGCSA-N 2 2 290.367 0.899 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001334226303 919439521 /nfs/dbraw/zinc/43/95/21/919439521.db2.gz AQRFCWNIDXRJLY-PHIMTYICSA-N 2 2 263.345 0.456 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CC[N@@H+]1CCCO ZINC001406882472 919514991 /nfs/dbraw/zinc/51/49/91/919514991.db2.gz PQJPRQUMOSAFQI-CYBMUJFWSA-N 2 2 294.399 0.579 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CC[N@H+]1CCCO ZINC001406882472 919515002 /nfs/dbraw/zinc/51/50/02/919515002.db2.gz PQJPRQUMOSAFQI-CYBMUJFWSA-N 2 2 294.399 0.579 20 0 CCADLP Cc1cc(NC(=O)N2CCNCC[NH2+]CC2)cc(C)[nH+]1 ZINC001334391027 919548182 /nfs/dbraw/zinc/54/81/82/919548182.db2.gz QJJBWDFVYNKQEA-UHFFFAOYSA-N 2 2 277.372 0.147 20 0 CCADLP O=C(NCC1([NH2+]CCO)CCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001407783366 919891365 /nfs/dbraw/zinc/89/13/65/919891365.db2.gz HGRYAFJCMCNLRE-LBPRGKRZSA-N 2 2 292.383 0.066 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC001335262112 920073074 /nfs/dbraw/zinc/07/30/74/920073074.db2.gz BMYKRMFFQJIEKA-GFCCVEGCSA-N 2 2 294.399 0.945 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC001335262112 920073092 /nfs/dbraw/zinc/07/30/92/920073092.db2.gz BMYKRMFFQJIEKA-GFCCVEGCSA-N 2 2 294.399 0.945 20 0 CCADLP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]C[C@@H]1CCCCO1 ZINC001408243220 920106819 /nfs/dbraw/zinc/10/68/19/920106819.db2.gz NOZDPHQQCVDOBK-KBPBESRZSA-N 2 2 294.399 0.937 20 0 CCADLP O[C@H](CCC1(O)CCC1)C[NH2+][C@H]1Cc2c[nH+]cn2C1 ZINC001335511954 920247259 /nfs/dbraw/zinc/24/72/59/920247259.db2.gz GPMSIGSWXNOOIC-WCQYABFASA-N 2 2 265.357 0.454 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCO)CC1 ZINC001415133696 920612335 /nfs/dbraw/zinc/61/23/35/920612335.db2.gz SJQPERKOUFWUHB-CQSZACIVSA-N 2 2 283.416 0.386 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCO)CC1 ZINC001415133696 920612346 /nfs/dbraw/zinc/61/23/46/920612346.db2.gz SJQPERKOUFWUHB-CQSZACIVSA-N 2 2 283.416 0.386 20 0 CCADLP C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001336657977 920908638 /nfs/dbraw/zinc/90/86/38/920908638.db2.gz GXWWFETWNYCOIB-MNOVXSKESA-N 2 2 250.346 0.656 20 0 CCADLP C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001336657977 920908647 /nfs/dbraw/zinc/90/86/47/920908647.db2.gz GXWWFETWNYCOIB-MNOVXSKESA-N 2 2 250.346 0.656 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C[NH3+])CC1 ZINC001336686799 920930358 /nfs/dbraw/zinc/93/03/58/920930358.db2.gz HRBDGFBHATVNKM-SNVBAGLBSA-N 2 2 250.346 0.786 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C[NH3+])CC1 ZINC001336686799 920930374 /nfs/dbraw/zinc/93/03/74/920930374.db2.gz HRBDGFBHATVNKM-SNVBAGLBSA-N 2 2 250.346 0.786 20 0 CCADLP COCCOC[C@H](O)C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001336801700 921020751 /nfs/dbraw/zinc/02/07/51/921020751.db2.gz OTOCDXCBIKQKHH-RBSFLKMASA-N 2 2 286.416 0.617 20 0 CCADLP COCCOC[C@H](O)C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001336801700 921020763 /nfs/dbraw/zinc/02/07/63/921020763.db2.gz OTOCDXCBIKQKHH-RBSFLKMASA-N 2 2 286.416 0.617 20 0 CCADLP C[C@H]([NH3+])c1cn(Cc2[nH+]ccn2CC(F)F)nn1 ZINC001336895089 921088696 /nfs/dbraw/zinc/08/86/96/921088696.db2.gz DZFMQRJWUNFSKA-ZETCQYMHSA-N 2 2 256.260 0.808 20 0 CCADLP [NH3+]CCCCCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336923989 921108934 /nfs/dbraw/zinc/10/89/34/921108934.db2.gz RPNGPICWJJYCSC-UHFFFAOYSA-N 3 2 285.436 0.228 20 0 CCADLP Cc1nonc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001418206885 921911438 /nfs/dbraw/zinc/91/14/38/921911438.db2.gz ATXFNVZBXAQNFD-JOYOIKCWSA-N 2 2 281.360 0.067 20 0 CCADLP Cc1nonc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001418206885 921911451 /nfs/dbraw/zinc/91/14/51/921911451.db2.gz ATXFNVZBXAQNFD-JOYOIKCWSA-N 2 2 281.360 0.067 20 0 CCADLP Cc1nonc1C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001418206881 921912325 /nfs/dbraw/zinc/91/23/25/921912325.db2.gz ATXFNVZBXAQNFD-BXKDBHETSA-N 2 2 281.360 0.067 20 0 CCADLP Cc1nonc1C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001418206881 921912331 /nfs/dbraw/zinc/91/23/31/921912331.db2.gz ATXFNVZBXAQNFD-BXKDBHETSA-N 2 2 281.360 0.067 20 0 CCADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]C[C@H]1CCCCO1 ZINC001418257665 921965636 /nfs/dbraw/zinc/96/56/36/921965636.db2.gz QGQREJRCFNDYIA-ZIAGYGMSSA-N 2 2 294.399 0.937 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)CNC(=O)C2CC[NH+](C)CC2)o1 ZINC001418267933 921975405 /nfs/dbraw/zinc/97/54/05/921975405.db2.gz NBHZPSNOVPGEQT-JTQLQIEISA-N 2 2 295.387 0.314 20 0 CCADLP Cc1noc(C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C)n1 ZINC001418271247 921979925 /nfs/dbraw/zinc/97/99/25/921979925.db2.gz SJBWIHWFFSWCLA-ZWNOBZJWSA-N 2 2 297.403 0.559 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1CC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC001340206308 922007859 /nfs/dbraw/zinc/00/78/59/922007859.db2.gz RCSHDKFTCZXYLG-JHJVBQTASA-N 2 2 269.389 0.069 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1CC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC001340206308 922007875 /nfs/dbraw/zinc/00/78/75/922007875.db2.gz RCSHDKFTCZXYLG-JHJVBQTASA-N 2 2 269.389 0.069 20 0 CCADLP Cc1ccnc(C[NH2+][C@@H](C)CNC(=O)C[NH+]2CCCC2)n1 ZINC001418312732 922016312 /nfs/dbraw/zinc/01/63/12/922016312.db2.gz CRTCMDOYVNCLRW-ZDUSSCGKSA-N 2 2 291.399 0.475 20 0 CCADLP Cc1csc(C[NH2+][C@H](C)CNC(=O)Cn2cc[nH+]c2)n1 ZINC001418318835 922019131 /nfs/dbraw/zinc/01/91/31/922019131.db2.gz CEJKFJNQPSPGRE-SNVBAGLBSA-N 2 2 293.396 0.943 20 0 CCADLP Cc1nccnc1C[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001418320840 922023347 /nfs/dbraw/zinc/02/33/47/922023347.db2.gz JNJGLHKEVDHUQC-LLVKDONJSA-N 2 2 288.355 0.276 20 0 CCADLP O=C(CC[N@H+]1CC[C@@H](F)C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001418368455 922057885 /nfs/dbraw/zinc/05/78/85/922057885.db2.gz UDRCEDOHIBQUSB-ZIAGYGMSSA-N 2 2 299.390 0.353 20 0 CCADLP O=C(CC[N@@H+]1CC[C@@H](F)C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001418368455 922057899 /nfs/dbraw/zinc/05/78/99/922057899.db2.gz UDRCEDOHIBQUSB-ZIAGYGMSSA-N 2 2 299.390 0.353 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1c[nH+]cn1C ZINC001418593570 922291766 /nfs/dbraw/zinc/29/17/66/922291766.db2.gz KKJNTTLUTPXGSR-CHWSQXEVSA-N 2 2 294.399 0.530 20 0 CCADLP CN(C[C@@H]1CC[N@@H+]1CCCO)C(=O)CCCn1cc[nH+]c1 ZINC001418614368 922312765 /nfs/dbraw/zinc/31/27/65/922312765.db2.gz YSJKENJOBFYDAG-AWEZNQCLSA-N 2 2 294.399 0.578 20 0 CCADLP CN(C[C@@H]1CC[N@H+]1CCCO)C(=O)CCCn1cc[nH+]c1 ZINC001418614368 922312778 /nfs/dbraw/zinc/31/27/78/922312778.db2.gz YSJKENJOBFYDAG-AWEZNQCLSA-N 2 2 294.399 0.578 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001418737777 922400381 /nfs/dbraw/zinc/40/03/81/922400381.db2.gz DQYIVRMNJNXHOO-HZSPNIEDSA-N 2 2 294.399 0.793 20 0 CCADLP COCC(COC)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC001341377139 922453294 /nfs/dbraw/zinc/45/32/94/922453294.db2.gz UPXAGUXIIVMPOB-UHFFFAOYSA-N 2 2 254.334 0.193 20 0 CCADLP C[C@H](O)C[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001418931212 922489020 /nfs/dbraw/zinc/48/90/20/922489020.db2.gz JOANGVHIFLEALH-NWDGAFQWSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@H](O)C[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001418931212 922489037 /nfs/dbraw/zinc/48/90/37/922489037.db2.gz JOANGVHIFLEALH-NWDGAFQWSA-N 2 2 280.372 0.113 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H](C[N@H+](C)CCO)C1 ZINC001418937340 922496017 /nfs/dbraw/zinc/49/60/17/922496017.db2.gz UBNRUIZCLNNEKJ-CYBMUJFWSA-N 2 2 294.399 0.125 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H](C[N@@H+](C)CCO)C1 ZINC001418937340 922496020 /nfs/dbraw/zinc/49/60/20/922496020.db2.gz UBNRUIZCLNNEKJ-CYBMUJFWSA-N 2 2 294.399 0.125 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC001341579521 922563878 /nfs/dbraw/zinc/56/38/78/922563878.db2.gz QHEWZXGYBUDCKL-UHIISALHSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC001341579521 922563891 /nfs/dbraw/zinc/56/38/91/922563891.db2.gz QHEWZXGYBUDCKL-UHIISALHSA-N 2 2 262.357 0.656 20 0 CCADLP [NH3+]C[C@@H]1C[C@@H]1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC001341663603 922615091 /nfs/dbraw/zinc/61/50/91/922615091.db2.gz VCODSDBGZWFIGL-JQWIXIFHSA-N 2 2 262.357 0.473 20 0 CCADLP CC[C@@H](C(=O)N[C@@H](C)C[NH3+])[N@@H+]1CCO[C@@H](CC)C1 ZINC001341768371 922665332 /nfs/dbraw/zinc/66/53/32/922665332.db2.gz UTWOGCRCERMXOK-SRVKXCTJSA-N 2 2 257.378 0.339 20 0 CCADLP CC[C@@H](C(=O)N[C@@H](C)C[NH3+])[N@H+]1CCO[C@@H](CC)C1 ZINC001341768371 922665344 /nfs/dbraw/zinc/66/53/44/922665344.db2.gz UTWOGCRCERMXOK-SRVKXCTJSA-N 2 2 257.378 0.339 20 0 CCADLP [NH3+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001341980281 922751521 /nfs/dbraw/zinc/75/15/21/922751521.db2.gz FKFIHESUTPIPHO-QJPTWQEYSA-N 2 2 262.357 0.689 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1([NH3+])CCCC1 ZINC001342125198 922814749 /nfs/dbraw/zinc/81/47/49/922814749.db2.gz HHVQFKJGKYYSIB-GHMZBOCLSA-N 2 2 262.357 0.911 20 0 CCADLP C[NH+](C)CC[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC001419414593 922815779 /nfs/dbraw/zinc/81/57/79/922815779.db2.gz MPDKKJCSAJOMGD-CQSZACIVSA-N 2 2 297.443 0.897 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001342189018 922853014 /nfs/dbraw/zinc/85/30/14/922853014.db2.gz PEDARGUFDHFIRE-SUHUHFCYSA-N 2 2 262.357 0.989 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001342189018 922853032 /nfs/dbraw/zinc/85/30/32/922853032.db2.gz PEDARGUFDHFIRE-SUHUHFCYSA-N 2 2 262.357 0.989 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001419621293 922952093 /nfs/dbraw/zinc/95/20/93/922952093.db2.gz SSXPQABGIBYVQC-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP CO[C@@H](C)C[N@H+]1CCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001419621293 922952104 /nfs/dbraw/zinc/95/21/04/922952104.db2.gz SSXPQABGIBYVQC-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)C[NH2+]CC1CC1 ZINC001342606745 923021744 /nfs/dbraw/zinc/02/17/44/923021744.db2.gz HGUOPYWUACZDFF-ZDUSSCGKSA-N 2 2 269.389 0.213 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+]C[C@@H]1CCOC1 ZINC001419910933 923159962 /nfs/dbraw/zinc/15/99/62/923159962.db2.gz UYMIDSUOTUTBNU-PWSUYJOCSA-N 2 2 280.372 0.391 20 0 CCADLP CC1(C)[NH2+]CC[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001343525016 923360034 /nfs/dbraw/zinc/36/00/34/923360034.db2.gz GBSVXHJQXLDYCX-CMPLNLGQSA-N 2 2 262.357 0.702 20 0 CCADLP CC1CC(C[NH2+]C[C@H](O)CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001420194808 923397759 /nfs/dbraw/zinc/39/77/59/923397759.db2.gz KGWQRVICOYAGTI-YIZWMMSDSA-N 2 2 294.399 0.075 20 0 CCADLP C[C@H](C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)n1cc[nH+]c1 ZINC001344015658 923531344 /nfs/dbraw/zinc/53/13/44/923531344.db2.gz AGZSNRMUZUEPIJ-GRYCIOLGSA-N 2 2 250.346 0.995 20 0 CCADLP C[C@H](C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)n1cc[nH+]c1 ZINC001344015658 923531359 /nfs/dbraw/zinc/53/13/59/923531359.db2.gz AGZSNRMUZUEPIJ-GRYCIOLGSA-N 2 2 250.346 0.995 20 0 CCADLP C[C@H](C[NH2+][C@H](C)c1csnn1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001420322219 923543474 /nfs/dbraw/zinc/54/34/74/923543474.db2.gz RNKDQSFNNDVZFW-CKYFFXLPSA-N 2 2 297.428 0.788 20 0 CCADLP C[C@H](C[NH2+][C@H](C)c1csnn1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001420322219 923543484 /nfs/dbraw/zinc/54/34/84/923543484.db2.gz RNKDQSFNNDVZFW-CKYFFXLPSA-N 2 2 297.428 0.788 20 0 CCADLP C[C@H](C[N@H+](C)C/C=C/Cl)NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001420549111 923771049 /nfs/dbraw/zinc/77/10/49/923771049.db2.gz ARNJEKMERSNABT-GKUNOOHESA-N 2 2 289.807 0.506 20 0 CCADLP C[C@H](C[N@@H+](C)C/C=C/Cl)NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001420549111 923771059 /nfs/dbraw/zinc/77/10/59/923771059.db2.gz ARNJEKMERSNABT-GKUNOOHESA-N 2 2 289.807 0.506 20 0 CCADLP C[C@H](C[NH+](C)C/C=C/Cl)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001420549111 923771063 /nfs/dbraw/zinc/77/10/63/923771063.db2.gz ARNJEKMERSNABT-GKUNOOHESA-N 2 2 289.807 0.506 20 0 CCADLP C[C@H](C[NH+](C)C/C=C/Cl)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001420549111 923771079 /nfs/dbraw/zinc/77/10/79/923771079.db2.gz ARNJEKMERSNABT-GKUNOOHESA-N 2 2 289.807 0.506 20 0 CCADLP C[C@H](C[N@@H+](C)CCC[C@H](C)O)NC(=O)Cc1c[nH+]cn1C ZINC001420673018 923867140 /nfs/dbraw/zinc/86/71/40/923867140.db2.gz YKWHYJOPUJLKAO-OLZOCXBDSA-N 2 2 296.415 0.560 20 0 CCADLP C[C@H](C[N@H+](C)CCC[C@H](C)O)NC(=O)Cc1c[nH+]cn1C ZINC001420673018 923867146 /nfs/dbraw/zinc/86/71/46/923867146.db2.gz YKWHYJOPUJLKAO-OLZOCXBDSA-N 2 2 296.415 0.560 20 0 CCADLP CC[NH+]1CCN([C@@H](C)C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC001346179361 924098788 /nfs/dbraw/zinc/09/87/88/924098788.db2.gz JQKDWKRKUPNBKF-HOCLYGCPSA-N 3 2 298.475 0.057 20 0 CCADLP CC[NH+]1CCN([C@@H](C)C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC001346179361 924098801 /nfs/dbraw/zinc/09/88/01/924098801.db2.gz JQKDWKRKUPNBKF-HOCLYGCPSA-N 3 2 298.475 0.057 20 0 CCADLP CC[NH+]1CCN([C@@H](C)C[NH2+]C[C@H](O)CN(C)C2CC2)CC1 ZINC001346179361 924098817 /nfs/dbraw/zinc/09/88/17/924098817.db2.gz JQKDWKRKUPNBKF-HOCLYGCPSA-N 2 2 298.475 0.057 20 0 CCADLP C/C(=C\C(=O)NC[C@@H]1CCCC[N@H+]1C)C[NH+]1CCOCC1 ZINC001347501442 924463769 /nfs/dbraw/zinc/46/37/69/924463769.db2.gz GSQGHMXGRMPVTL-GOFCXVBSSA-N 2 2 295.427 0.865 20 0 CCADLP C/C(=C\C(=O)NC[C@@H]1CCCC[N@@H+]1C)C[NH+]1CCOCC1 ZINC001347501442 924463776 /nfs/dbraw/zinc/46/37/76/924463776.db2.gz GSQGHMXGRMPVTL-GOFCXVBSSA-N 2 2 295.427 0.865 20 0 CCADLP CC[NH+](CC)CC(=O)NCc1coc(C[NH+](C)C)n1 ZINC001348485131 924702421 /nfs/dbraw/zinc/70/24/21/924702421.db2.gz GPEIHTFOWPJORZ-UHFFFAOYSA-N 2 2 268.361 0.694 20 0 CCADLP Cc1[nH+]ccn1CC[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC001348537629 924720216 /nfs/dbraw/zinc/72/02/16/924720216.db2.gz OCJZULQWLOSLED-CYBMUJFWSA-N 2 2 290.371 0.609 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC001413856467 925771244 /nfs/dbraw/zinc/77/12/44/925771244.db2.gz RSMGCSLFBKFODO-CQSZACIVSA-N 2 2 291.399 0.842 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c1 ZINC001413856467 925771257 /nfs/dbraw/zinc/77/12/57/925771257.db2.gz RSMGCSLFBKFODO-CQSZACIVSA-N 2 2 291.399 0.842 20 0 CCADLP COCC[C@H]1C[NH2+]CCN1C(=O)NCCCn1cc[nH+]c1 ZINC001353246576 925771936 /nfs/dbraw/zinc/77/19/36/925771936.db2.gz KWDXNFVBRJOWCC-ZDUSSCGKSA-N 2 2 295.387 0.293 20 0 CCADLP [NH3+][C@@H]1CCCn2nc(C(=O)NCCCn3cc[nH+]c3)cc21 ZINC001353431500 925830617 /nfs/dbraw/zinc/83/06/17/925830617.db2.gz DAQSVOXUHIDRDB-LLVKDONJSA-N 2 2 288.355 0.693 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1c[nH+]cn1C ZINC001353500052 925850141 /nfs/dbraw/zinc/85/01/41/925850141.db2.gz JSWJBVZZRFIKSD-CMPLNLGQSA-N 2 2 265.361 0.831 20 0 CCADLP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C[C@H]([NH3+])C(F)F ZINC001353549967 925867971 /nfs/dbraw/zinc/86/79/71/925867971.db2.gz ZBVRBHSVPGLBLP-LPEHRKFASA-N 2 2 263.332 0.958 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC001353653110 925895703 /nfs/dbraw/zinc/89/57/03/925895703.db2.gz BNLLOVRBBKPVIJ-PWSUYJOCSA-N 2 2 262.357 0.847 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC001353653110 925895708 /nfs/dbraw/zinc/89/57/08/925895708.db2.gz BNLLOVRBBKPVIJ-PWSUYJOCSA-N 2 2 262.357 0.847 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001357458574 926537068 /nfs/dbraw/zinc/53/70/68/926537068.db2.gz YMUBDBLFANKFGT-MXWKQRLJSA-N 2 2 250.346 0.974 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001357458574 926537076 /nfs/dbraw/zinc/53/70/76/926537076.db2.gz YMUBDBLFANKFGT-MXWKQRLJSA-N 2 2 250.346 0.974 20 0 CCADLP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]C[C@@H]1CCCOC1 ZINC001421455196 926759959 /nfs/dbraw/zinc/75/99/59/926759959.db2.gz HATFPDYWGMVMML-STQMWFEESA-N 2 2 294.399 0.863 20 0 CCADLP CCO[C@H](C[NH2+]C1CC[NH+](CCNC(C)=O)CC1)C1CC1 ZINC001421574550 926799603 /nfs/dbraw/zinc/79/96/03/926799603.db2.gz PZQQYWQRFUJDBP-MRXNPFEDSA-N 2 2 297.443 0.992 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC1([NH2+]C[C@@H]2CCOC2)CCC1 ZINC001421778376 926906889 /nfs/dbraw/zinc/90/68/89/926906889.db2.gz XIUOLHIBKHZGRD-LBPRGKRZSA-N 2 2 292.383 0.617 20 0 CCADLP CCC[N@@H+]1CCO[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001421793207 926911005 /nfs/dbraw/zinc/91/10/05/926911005.db2.gz MQWFUJGUDJLELD-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP CCC[N@H+]1CCO[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001421793207 926911011 /nfs/dbraw/zinc/91/10/11/926911011.db2.gz MQWFUJGUDJLELD-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP C[C@@H](C[NH2+]C[C@@H]1CCOC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001421975432 927022456 /nfs/dbraw/zinc/02/24/56/927022456.db2.gz AQHBGXGOMSCGRW-STQMWFEESA-N 2 2 280.372 0.356 20 0 CCADLP C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001422142416 927097013 /nfs/dbraw/zinc/09/70/13/927097013.db2.gz HDQTWALHMIOQFQ-XQQFMLRXSA-N 2 2 289.383 0.687 20 0 CCADLP C[C@@H](C(=O)Nc1ncccn1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001422142416 927097027 /nfs/dbraw/zinc/09/70/27/927097027.db2.gz HDQTWALHMIOQFQ-XQQFMLRXSA-N 2 2 289.383 0.687 20 0 CCADLP C[C@@H](C(=O)Nc1ncccn1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001422142416 927097037 /nfs/dbraw/zinc/09/70/37/927097037.db2.gz HDQTWALHMIOQFQ-XQQFMLRXSA-N 2 2 289.383 0.687 20 0 CCADLP C[C@@H](C(=O)Nc1ncccn1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001422142416 927097053 /nfs/dbraw/zinc/09/70/53/927097053.db2.gz HDQTWALHMIOQFQ-XQQFMLRXSA-N 2 2 289.383 0.687 20 0 CCADLP COC[C@H](C)[N@H+](C)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001422515045 927341152 /nfs/dbraw/zinc/34/11/52/927341152.db2.gz GOUBKPZPBFDZPM-NEPJUHHUSA-N 2 2 282.388 0.814 20 0 CCADLP COC[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001422515045 927341164 /nfs/dbraw/zinc/34/11/64/927341164.db2.gz GOUBKPZPBFDZPM-NEPJUHHUSA-N 2 2 282.388 0.814 20 0 CCADLP COC[C@H](C)[N@H+](C)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001422515045 927341177 /nfs/dbraw/zinc/34/11/77/927341177.db2.gz GOUBKPZPBFDZPM-NEPJUHHUSA-N 2 2 282.388 0.814 20 0 CCADLP COC[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001422515045 927341190 /nfs/dbraw/zinc/34/11/90/927341190.db2.gz GOUBKPZPBFDZPM-NEPJUHHUSA-N 2 2 282.388 0.814 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001422544227 927357529 /nfs/dbraw/zinc/35/75/29/927357529.db2.gz TXVCWVIQUATWOG-GHMZBOCLSA-N 2 2 276.340 0.423 20 0 CCADLP CCC[NH+]1CC(CCO)(NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001422628752 927425936 /nfs/dbraw/zinc/42/59/36/927425936.db2.gz SJGPDSYYIIISQC-ZDUSSCGKSA-N 2 2 285.432 0.536 20 0 CCADLP CCCC[NH+]1CC(CCO)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001422632576 927428628 /nfs/dbraw/zinc/42/86/28/927428628.db2.gz GZZYVPJRQOVSND-UHFFFAOYSA-N 2 2 294.399 0.545 20 0 CCADLP CC[N@@H+]1CC[C@H]1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001362013760 927521994 /nfs/dbraw/zinc/52/19/94/927521994.db2.gz CLWXKZVSDBRUSV-KBPBESRZSA-N 2 2 281.400 0.404 20 0 CCADLP CC[N@H+]1CC[C@H]1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001362013760 927522003 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CC[N@H+]1CC[C@H]1C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC001362069207 927581066 /nfs/dbraw/zinc/58/10/66/927581066.db2.gz JODLMQVIHFNCBF-AWEZNQCLSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001362132331 927647746 /nfs/dbraw/zinc/64/77/46/927647746.db2.gz YTIJMQVBZARWEF-RDBSUJKOSA-N 2 2 284.448 0.325 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001362132331 927647752 /nfs/dbraw/zinc/64/77/52/927647752.db2.gz YTIJMQVBZARWEF-RDBSUJKOSA-N 2 2 284.448 0.325 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccon1 ZINC001423165800 927705104 /nfs/dbraw/zinc/70/51/04/927705104.db2.gz JYYGOCAYVJNEHI-NSHDSACASA-N 2 2 291.355 0.816 20 0 CCADLP CN(C[C@@H](O)C[N@H+](C)CC1CC1)C(=O)CCn1cc[nH+]c1 ZINC001423510467 927905046 /nfs/dbraw/zinc/90/50/46/927905046.db2.gz DLULXSKZQYKPKE-AWEZNQCLSA-N 2 2 294.399 0.434 20 0 CCADLP CN(C[C@@H](O)C[N@@H+](C)CC1CC1)C(=O)CCn1cc[nH+]c1 ZINC001423510467 927905061 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CCADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[N@H+](C)CCCO ZINC001425024214 928405589 /nfs/dbraw/zinc/40/55/89/928405589.db2.gz KKTNZYAOXKPARY-JHJVBQTASA-N 2 2 294.399 0.343 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[N@@H+](C)CCCO ZINC001425024214 928405595 /nfs/dbraw/zinc/40/55/95/928405595.db2.gz KKTNZYAOXKPARY-JHJVBQTASA-N 2 2 294.399 0.343 20 0 CCADLP CC[C@@H](C[N@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1)OC ZINC001425065383 928420939 /nfs/dbraw/zinc/42/09/39/928420939.db2.gz BEFKQFOKFNSTMV-STQMWFEESA-N 2 2 282.388 0.745 20 0 CCADLP CC[C@@H](C[N@@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1)OC ZINC001425065383 928420949 /nfs/dbraw/zinc/42/09/49/928420949.db2.gz BEFKQFOKFNSTMV-STQMWFEESA-N 2 2 282.388 0.745 20 0 CCADLP Cc1cc(NC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc(C)[nH+]1 ZINC001425389455 928535286 /nfs/dbraw/zinc/53/52/86/928535286.db2.gz MGQMUSSGGGVZQV-ZDUSSCGKSA-N 2 2 292.383 0.651 20 0 CCADLP Cc1cc(NC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc(C)[nH+]1 ZINC001425389455 928535292 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YYIOAWPSWLANKZ-OLZOCXBDSA-N 2 2 294.399 0.481 20 0 CCADLP Cc1nc(C[NH2+]C[C@@H](C)NC(=O)C[NH+]2CCCC2)oc1C ZINC001445506356 930148968 /nfs/dbraw/zinc/14/89/68/930148968.db2.gz WLIIHEJDEFXVKD-LLVKDONJSA-N 2 2 294.399 0.982 20 0 CCADLP CCO[C@@H](C[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1)C1CC1 ZINC001373415166 930180293 /nfs/dbraw/zinc/18/02/93/930180293.db2.gz CNWZGXNGKAKTGV-CABCVRRESA-N 2 2 295.427 0.696 20 0 CCADLP CCO[C@@H](C[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1)C1CC1 ZINC001373415166 930180298 /nfs/dbraw/zinc/18/02/98/930180298.db2.gz CNWZGXNGKAKTGV-CABCVRRESA-N 2 2 295.427 0.696 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@@H+]1C[C@H]1CCCOC1 ZINC001446121933 930338997 /nfs/dbraw/zinc/33/89/97/930338997.db2.gz NYAXPUSIQVJTON-KGLIPLIRSA-N 2 2 292.383 0.500 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@H+]1C[C@H]1CCCOC1 ZINC001446121933 930339006 /nfs/dbraw/zinc/33/90/06/930339006.db2.gz NYAXPUSIQVJTON-KGLIPLIRSA-N 2 2 292.383 0.500 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCN1Cc1c[nH+]cn1C ZINC001446124239 930340941 /nfs/dbraw/zinc/34/09/41/930340941.db2.gz IQQOYFXEAQUZOW-CYBMUJFWSA-N 2 2 293.415 0.451 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCN1Cc1c[nH+]cn1C ZINC001446124239 930340952 /nfs/dbraw/zinc/34/09/52/930340952.db2.gz IQQOYFXEAQUZOW-CYBMUJFWSA-N 2 2 293.415 0.451 20 0 CCADLP COCC[N@@H+]1CC[C@@](C)(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001446541091 930432362 /nfs/dbraw/zinc/43/23/62/930432362.db2.gz LHNXRIUEQAFJRA-OAHLLOKOSA-N 2 2 294.399 0.580 20 0 CCADLP COCC[N@H+]1CC[C@@](C)(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001446541091 930432366 /nfs/dbraw/zinc/43/23/66/930432366.db2.gz LHNXRIUEQAFJRA-OAHLLOKOSA-N 2 2 294.399 0.580 20 0 CCADLP C[C@H]([NH2+]CCO)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001446939266 930525005 /nfs/dbraw/zinc/52/50/05/930525005.db2.gz HBCSXLOKFQTTFI-UONOGXRCSA-N 2 2 294.399 0.482 20 0 CCADLP CCC[N@@H+]1CCC[C@@](CO)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001447033575 930550384 /nfs/dbraw/zinc/55/03/84/930550384.db2.gz DGSDXBDQCRKABM-OAHLLOKOSA-N 2 2 294.399 0.614 20 0 CCADLP CCC[N@H+]1CCC[C@@](CO)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001447033575 930550390 /nfs/dbraw/zinc/55/03/90/930550390.db2.gz DGSDXBDQCRKABM-OAHLLOKOSA-N 2 2 294.399 0.614 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@]1(CO)CCC[N@H+](CC2CC2)C1 ZINC001447038323 930552434 /nfs/dbraw/zinc/55/24/34/930552434.db2.gz RSETXUVVZMQCHQ-OAHLLOKOSA-N 2 2 292.383 0.236 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@]1(CO)CCC[N@@H+](CC2CC2)C1 ZINC001447038323 930552444 /nfs/dbraw/zinc/55/24/44/930552444.db2.gz RSETXUVVZMQCHQ-OAHLLOKOSA-N 2 2 292.383 0.236 20 0 CCADLP COC[C@@H](C)[N@H+](C)CCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001374553381 930557247 /nfs/dbraw/zinc/55/72/47/930557247.db2.gz TTYIUOSUCVSLKL-LLVKDONJSA-N 2 2 282.388 0.686 20 0 CCADLP COC[C@@H](C)[N@@H+](C)CCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001374553381 930557257 /nfs/dbraw/zinc/55/72/57/930557257.db2.gz TTYIUOSUCVSLKL-LLVKDONJSA-N 2 2 282.388 0.686 20 0 CCADLP C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H](C)[NH2+]CCO ZINC001447892259 930748928 /nfs/dbraw/zinc/74/89/28/930748928.db2.gz XJUFIAVPCJASTM-UWVGGRQHSA-N 2 2 276.340 0.652 20 0 CCADLP COC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001448500470 930904969 /nfs/dbraw/zinc/90/49/69/930904969.db2.gz IPIGTDHZHRIPQY-OBJOEFQTSA-N 2 2 294.399 0.862 20 0 CCADLP COC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001448500470 930904977 /nfs/dbraw/zinc/90/49/77/930904977.db2.gz IPIGTDHZHRIPQY-OBJOEFQTSA-N 2 2 294.399 0.862 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001448504873 930905626 /nfs/dbraw/zinc/90/56/26/930905626.db2.gz UFFOEIFOYLATMG-NQBHXWOUSA-N 2 2 280.372 0.208 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001448504873 930905631 /nfs/dbraw/zinc/90/56/31/930905631.db2.gz UFFOEIFOYLATMG-NQBHXWOUSA-N 2 2 280.372 0.208 20 0 CCADLP CC[C@H](F)C[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001375521059 930906615 /nfs/dbraw/zinc/90/66/15/930906615.db2.gz KVXATORWWZLJQQ-NSHDSACASA-N 2 2 282.363 0.949 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2cncn2C)C1 ZINC001376151770 931072823 /nfs/dbraw/zinc/07/28/23/931072823.db2.gz JHFBILYRNRCYCF-ZDUSSCGKSA-N 2 2 293.415 0.452 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2cncn2C)C1 ZINC001376151770 931072834 /nfs/dbraw/zinc/07/28/34/931072834.db2.gz JHFBILYRNRCYCF-ZDUSSCGKSA-N 2 2 293.415 0.452 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001376151770 931072844 /nfs/dbraw/zinc/07/28/44/931072844.db2.gz JHFBILYRNRCYCF-ZDUSSCGKSA-N 2 2 293.415 0.452 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001376151770 931072852 /nfs/dbraw/zinc/07/28/52/931072852.db2.gz JHFBILYRNRCYCF-ZDUSSCGKSA-N 2 2 293.415 0.452 20 0 CCADLP CC[C@@H](C)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001449157640 931088077 /nfs/dbraw/zinc/08/80/77/931088077.db2.gz DEURBIZJNUQADR-VXGBXAGGSA-N 2 2 282.388 0.407 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001376369100 931136235 /nfs/dbraw/zinc/13/62/35/931136235.db2.gz VYMNFACKHCMKCG-UBHSHLNASA-N 2 2 292.383 0.616 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001376369100 931136239 /nfs/dbraw/zinc/13/62/39/931136239.db2.gz VYMNFACKHCMKCG-UBHSHLNASA-N 2 2 292.383 0.616 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001376378990 931137109 /nfs/dbraw/zinc/13/71/09/931137109.db2.gz XXNXQAUWSFXYMS-JHJVBQTASA-N 2 2 294.399 0.624 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001376669852 931205796 /nfs/dbraw/zinc/20/57/96/931205796.db2.gz LAKPUERNQXOLNF-AWEZNQCLSA-N 2 2 283.416 0.699 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001376669852 931205803 /nfs/dbraw/zinc/20/58/03/931205803.db2.gz LAKPUERNQXOLNF-AWEZNQCLSA-N 2 2 283.416 0.699 20 0 CCADLP CO[C@@H](C)C[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CCC1 ZINC001376785257 931273163 /nfs/dbraw/zinc/27/31/63/931273163.db2.gz BQPMUOIYLHSRJW-NSHDSACASA-N 2 2 280.372 0.616 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+]C[C@H]2CCOC2)CCC1 ZINC001376799503 931279107 /nfs/dbraw/zinc/27/91/07/931279107.db2.gz GKHLEMFCTHNDQZ-GFCCVEGCSA-N 2 2 292.383 0.617 20 0 CCADLP Cc1nonc1C[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001376862961 931306987 /nfs/dbraw/zinc/30/69/87/931306987.db2.gz HDNSGGZMBKRJSV-VIFPVBQESA-N 2 2 292.343 0.177 20 0 CCADLP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+]C[C@H]1CCOC1 ZINC001376868547 931307763 /nfs/dbraw/zinc/30/77/63/931307763.db2.gz KIZOYRINETUGTI-QWHCGFSZSA-N 2 2 294.399 0.484 20 0 CCADLP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cnon2)C1 ZINC001376919673 931326047 /nfs/dbraw/zinc/32/60/47/931326047.db2.gz WTHUFIBLFACTCP-LBPRGKRZSA-N 2 2 295.387 0.492 20 0 CCADLP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cnon2)C1 ZINC001376919673 931326051 /nfs/dbraw/zinc/32/60/51/931326051.db2.gz WTHUFIBLFACTCP-LBPRGKRZSA-N 2 2 295.387 0.492 20 0 CCADLP CNC(=O)C[NH2+][C@H](C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001377080266 931375037 /nfs/dbraw/zinc/37/50/37/931375037.db2.gz VSYDCCVKPVYZRR-NEPJUHHUSA-N 2 2 295.387 0.065 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC(=O)[O-])CC2)CC[N@@H+]1C ZINC001589291732 953608611 /nfs/dbraw/zinc/60/86/11/953608611.db2.gz QZAYSGKEVKNPHV-DGCLKSJQSA-N 2 2 269.389 0.608 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC(=O)[O-])CC2)CC[N@H+]1C ZINC001589291732 953608619 /nfs/dbraw/zinc/60/86/19/953608619.db2.gz QZAYSGKEVKNPHV-DGCLKSJQSA-N 2 2 269.389 0.608 20 0 CCADLP COCCN1CC[N@H+](CCCCn2cc[nH+]c2C)CC1=O ZINC000091835139 349476603 /nfs/dbraw/zinc/47/66/03/349476603.db2.gz FTOCIGQDJJSWLE-UHFFFAOYSA-N 2 2 294.399 0.762 20 0 CCADLP COCCN1CC[N@@H+](CCCCn2cc[nH+]c2C)CC1=O ZINC000091835139 349476607 /nfs/dbraw/zinc/47/66/07/349476607.db2.gz FTOCIGQDJJSWLE-UHFFFAOYSA-N 2 2 294.399 0.762 20 0 CCADLP CNC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000337471954 214102903 /nfs/dbraw/zinc/10/29/03/214102903.db2.gz WDMAWLPOQRZSNB-ZDUSSCGKSA-N 2 2 269.389 0.167 20 0 CCADLP CNC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000337471954 214102906 /nfs/dbraw/zinc/10/29/06/214102906.db2.gz WDMAWLPOQRZSNB-ZDUSSCGKSA-N 2 2 269.389 0.167 20 0 CCADLP C[C@H](C(=O)NCCc1cn(C)c[nH+]1)[NH+]1CC(C)C1 ZINC000655142576 412490162 /nfs/dbraw/zinc/49/01/62/412490162.db2.gz WNFIQTLZRFVUQM-LLVKDONJSA-N 2 2 250.346 0.419 20 0 CCADLP CC[NH+](CC)CCC[N@@H+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000599565749 361744995 /nfs/dbraw/zinc/74/49/95/361744995.db2.gz WIYCWTMVHFSNBM-AWEZNQCLSA-N 2 2 272.389 0.982 20 0 CCADLP CC[NH+](CC)CCC[N@H+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000599565749 361745001 /nfs/dbraw/zinc/74/50/01/361745001.db2.gz WIYCWTMVHFSNBM-AWEZNQCLSA-N 2 2 272.389 0.982 20 0 CCADLP CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCCO1 ZINC000093168964 349528449 /nfs/dbraw/zinc/52/84/49/349528449.db2.gz CPSQDEJPHKNJLR-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP CC[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCCO1 ZINC000093168964 349528453 /nfs/dbraw/zinc/52/84/53/349528453.db2.gz CPSQDEJPHKNJLR-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000093874349 349554835 /nfs/dbraw/zinc/55/48/35/349554835.db2.gz SRFAJWQFQIQOJK-UHFFFAOYSA-N 2 2 272.393 0.385 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093874349 349554839 /nfs/dbraw/zinc/55/48/39/349554839.db2.gz SRFAJWQFQIQOJK-UHFFFAOYSA-N 2 2 272.393 0.385 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CC2=CCCOC2)CC1 ZINC000093821338 349555199 /nfs/dbraw/zinc/55/51/99/349555199.db2.gz CRMBPKNYBHSCFN-OAHLLOKOSA-N 2 2 293.411 0.572 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CC2=CCCOC2)CC1 ZINC000093821338 349555200 /nfs/dbraw/zinc/55/52/00/349555200.db2.gz CRMBPKNYBHSCFN-OAHLLOKOSA-N 2 2 293.411 0.572 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)NCCOc2ccccc2)CC[C@@H]1[NH3+] ZINC000094342194 349568065 /nfs/dbraw/zinc/56/80/65/349568065.db2.gz HJHKNZHSZDUMMK-HIFRSBDPSA-N 2 2 291.395 0.851 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)NCCOc2ccccc2)CC[C@@H]1[NH3+] ZINC000094342194 349568071 /nfs/dbraw/zinc/56/80/71/349568071.db2.gz HJHKNZHSZDUMMK-HIFRSBDPSA-N 2 2 291.395 0.851 20 0 CCADLP [NH3+]CCN1CC[NH+](CC(=O)N2CCc3ccccc32)CC1 ZINC000098146006 349654045 /nfs/dbraw/zinc/65/40/45/349654045.db2.gz FXMNFLGRXAFCMB-UHFFFAOYSA-N 2 2 288.395 0.152 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)c1ccco1 ZINC000174412075 282178814 /nfs/dbraw/zinc/17/88/14/282178814.db2.gz PXQYNSZEIFTZOX-WCQYABFASA-N 2 2 281.356 0.329 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)c1ccco1 ZINC000174412075 282178816 /nfs/dbraw/zinc/17/88/16/282178816.db2.gz PXQYNSZEIFTZOX-WCQYABFASA-N 2 2 281.356 0.329 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@@H]([NH3+])C(C)C)CC2)cc[nH+]1 ZINC000423785512 282186604 /nfs/dbraw/zinc/18/66/04/282186604.db2.gz RWKUMAGLPJJTKL-ZDUSSCGKSA-N 2 2 277.372 0.417 20 0 CCADLP CCc1cc(N(C)C[C@H](O)C[NH+]2CCOCC2)cc[nH+]1 ZINC000450381761 529529154 /nfs/dbraw/zinc/52/91/54/529529154.db2.gz VAZZYXBKQLGBMO-HNNXBMFYSA-N 2 2 279.384 0.773 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000418729187 529559337 /nfs/dbraw/zinc/55/93/37/529559337.db2.gz NSUQASVTCCNHQM-VXGBXAGGSA-N 2 2 294.403 0.535 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NCC(F)(F)C[NH3+] ZINC000418247030 529587865 /nfs/dbraw/zinc/58/78/65/529587865.db2.gz CROAKFRVYOHKLU-MRVPVSSYSA-N 2 2 275.303 0.857 20 0 CCADLP COC(=O)c1cnc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cn1 ZINC000600711407 362041791 /nfs/dbraw/zinc/04/17/91/362041791.db2.gz SYUQBAQOYPZSLV-ZJUUUORDSA-N 2 2 264.329 0.432 20 0 CCADLP COC(=O)c1cnc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cn1 ZINC000600711407 362041794 /nfs/dbraw/zinc/04/17/94/362041794.db2.gz SYUQBAQOYPZSLV-ZJUUUORDSA-N 2 2 264.329 0.432 20 0 CCADLP CCOC(=O)C1CC[NH+](Cc2cn(C[C@H](C)[NH3+])nn2)CC1 ZINC000600970374 362107926 /nfs/dbraw/zinc/10/79/26/362107926.db2.gz HVXYPEYINYALFP-NSHDSACASA-N 2 2 295.387 0.400 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](C)CO1 ZINC000617726100 365733234 /nfs/dbraw/zinc/73/32/34/365733234.db2.gz SIFTYIXIULAZKR-MJBXVCDLSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](C)CO1 ZINC000617726100 365733239 /nfs/dbraw/zinc/73/32/39/365733239.db2.gz SIFTYIXIULAZKR-MJBXVCDLSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](C)CO1 ZINC000617726100 365733242 /nfs/dbraw/zinc/73/32/42/365733242.db2.gz SIFTYIXIULAZKR-MJBXVCDLSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](C)CO1 ZINC000617726100 365733249 /nfs/dbraw/zinc/73/32/49/365733249.db2.gz SIFTYIXIULAZKR-MJBXVCDLSA-N 2 2 283.416 0.696 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000617725745 365733872 /nfs/dbraw/zinc/73/38/72/365733872.db2.gz OKRSQBMRRVOZMJ-QWRGUYRKSA-N 2 2 280.372 0.486 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000617725745 365733876 /nfs/dbraw/zinc/73/38/76/365733876.db2.gz OKRSQBMRRVOZMJ-QWRGUYRKSA-N 2 2 280.372 0.486 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CCC[NH+]2C2CC2)[C@@H](C)CO1 ZINC000617726194 365734899 /nfs/dbraw/zinc/73/48/99/365734899.db2.gz UCNOVRHXUXUFKX-GZBFAFLISA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CCC[NH+]2C2CC2)[C@@H](C)CO1 ZINC000617726194 365734905 /nfs/dbraw/zinc/73/49/05/365734905.db2.gz UCNOVRHXUXUFKX-GZBFAFLISA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CCC[N@@H+]2C2CC2)[C@@H](C)CO1 ZINC000617726194 365734909 /nfs/dbraw/zinc/73/49/09/365734909.db2.gz UCNOVRHXUXUFKX-GZBFAFLISA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CCC[N@H+]2C2CC2)[C@@H](C)CO1 ZINC000617726194 365734918 /nfs/dbraw/zinc/73/49/18/365734918.db2.gz UCNOVRHXUXUFKX-GZBFAFLISA-N 2 2 295.427 0.839 20 0 CCADLP CC[C@H](C)[NH+]1CCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000456540378 529699438 /nfs/dbraw/zinc/69/94/38/529699438.db2.gz ZQTOXDBSBSRSBO-LSDHHAIUSA-N 2 2 296.459 0.565 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC([NH2+]C[C@@H]2CCCO2)CC1 ZINC000113439221 349811179 /nfs/dbraw/zinc/81/11/79/349811179.db2.gz MBFVAKITRMXLMM-INIZCTEOSA-N 2 2 297.443 0.552 20 0 CCADLP C(C[NH+]1CCC([NH2+]C[C@@H]2CCCO2)CC1)N1CCOCC1 ZINC000113439221 349811182 /nfs/dbraw/zinc/81/11/82/349811182.db2.gz MBFVAKITRMXLMM-INIZCTEOSA-N 2 2 297.443 0.552 20 0 CCADLP C[C@H](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH+](C)C ZINC000617755692 365759140 /nfs/dbraw/zinc/75/91/40/365759140.db2.gz SQAMTVPBPUQNHS-NEPJUHHUSA-N 2 2 264.373 0.902 20 0 CCADLP CCOC[C@@H](O)C[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000113504366 349813291 /nfs/dbraw/zinc/81/32/91/349813291.db2.gz IQYKDLUSUGDFQY-AWEZNQCLSA-N 2 2 294.399 0.613 20 0 CCADLP CC(C)[C@H](CNC(=O)C[NH2+]C1CC1)[NH+]1CCOCC1 ZINC000154621651 290690185 /nfs/dbraw/zinc/69/01/85/290690185.db2.gz FCTKEQBADCQESR-ZDUSSCGKSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@H](CCNC(=O)c1ccc(-n2cc[nH+]c2)nn1)[NH+](C)C ZINC000617752839 365755761 /nfs/dbraw/zinc/75/57/61/365755761.db2.gz VOHPOZQFWZEUPZ-LLVKDONJSA-N 2 2 288.355 0.732 20 0 CCADLP Cc1ccncc1CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617763216 365765992 /nfs/dbraw/zinc/76/59/92/365765992.db2.gz JQBDNYYTKIFQJW-UHFFFAOYSA-N 2 2 292.427 0.932 20 0 CCADLP Cc1ccncc1CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617763216 365766000 /nfs/dbraw/zinc/76/60/00/365766000.db2.gz JQBDNYYTKIFQJW-UHFFFAOYSA-N 2 2 292.427 0.932 20 0 CCADLP Cc1c(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)cnn1C ZINC000617764193 365768711 /nfs/dbraw/zinc/76/87/11/365768711.db2.gz MECHSKBYWKKYCI-UHFFFAOYSA-N 2 2 295.431 0.271 20 0 CCADLP Cc1c(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cnn1C ZINC000617764193 365768713 /nfs/dbraw/zinc/76/87/13/365768713.db2.gz MECHSKBYWKKYCI-UHFFFAOYSA-N 2 2 295.431 0.271 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccn[nH]1 ZINC000617768309 365772959 /nfs/dbraw/zinc/77/29/59/365772959.db2.gz YHWOPBRHNJDREP-UHFFFAOYSA-N 2 2 253.350 0.023 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccn[nH]1 ZINC000617768309 365772960 /nfs/dbraw/zinc/77/29/60/365772960.db2.gz YHWOPBRHNJDREP-UHFFFAOYSA-N 2 2 253.350 0.023 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCOC1 ZINC000617767409 365773116 /nfs/dbraw/zinc/77/31/16/365773116.db2.gz TVZLRFXAQOSDAD-GFCCVEGCSA-N 2 2 257.378 0.023 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCOC1 ZINC000617767409 365773124 /nfs/dbraw/zinc/77/31/24/365773124.db2.gz TVZLRFXAQOSDAD-GFCCVEGCSA-N 2 2 257.378 0.023 20 0 CCADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617766484 365773825 /nfs/dbraw/zinc/77/38/25/365773825.db2.gz MDRWHGFGCVEORW-GJZGRUSLSA-N 3 2 298.475 0.859 20 0 CCADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617766484 365773829 /nfs/dbraw/zinc/77/38/29/365773829.db2.gz MDRWHGFGCVEORW-GJZGRUSLSA-N 3 2 298.475 0.859 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCOC1 ZINC000617767410 365774014 /nfs/dbraw/zinc/77/40/14/365774014.db2.gz TVZLRFXAQOSDAD-LBPRGKRZSA-N 2 2 257.378 0.023 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCOC1 ZINC000617767410 365774017 /nfs/dbraw/zinc/77/40/17/365774017.db2.gz TVZLRFXAQOSDAD-LBPRGKRZSA-N 2 2 257.378 0.023 20 0 CCADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3CCCC[C@]3(C)[NH3+])C[C@@H]21 ZINC000423924500 529784733 /nfs/dbraw/zinc/78/47/33/529784733.db2.gz AGKUPSSZHQTOLH-AYDFFVQHSA-N 2 2 295.427 0.826 20 0 CCADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3CCCC[C@]3(C)[NH3+])C[C@@H]21 ZINC000423924500 529784734 /nfs/dbraw/zinc/78/47/34/529784734.db2.gz AGKUPSSZHQTOLH-AYDFFVQHSA-N 2 2 295.427 0.826 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)n1C ZINC000425345933 529807900 /nfs/dbraw/zinc/80/79/00/529807900.db2.gz VXAPKKKATOJLDU-LLVKDONJSA-N 2 2 252.362 0.689 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2C[C@@H](O)C(C)(C)C2)n1C ZINC000425345933 529807901 /nfs/dbraw/zinc/80/79/01/529807901.db2.gz VXAPKKKATOJLDU-LLVKDONJSA-N 2 2 252.362 0.689 20 0 CCADLP CN(C)c1nccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)n1 ZINC000427145904 529812487 /nfs/dbraw/zinc/81/24/87/529812487.db2.gz UAXWZNVICZTDFG-DGCLKSJQSA-N 2 2 261.373 0.726 20 0 CCADLP CN(C)c1nccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)n1 ZINC000427145904 529812488 /nfs/dbraw/zinc/81/24/88/529812488.db2.gz UAXWZNVICZTDFG-DGCLKSJQSA-N 2 2 261.373 0.726 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000331934401 529881022 /nfs/dbraw/zinc/88/10/22/529881022.db2.gz NGIWRICYZOHPEE-AAEUAGOBSA-N 2 2 296.415 0.494 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000331934401 529881023 /nfs/dbraw/zinc/88/10/23/529881023.db2.gz NGIWRICYZOHPEE-AAEUAGOBSA-N 2 2 296.415 0.494 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000331934401 529881025 /nfs/dbraw/zinc/88/10/25/529881025.db2.gz NGIWRICYZOHPEE-AAEUAGOBSA-N 2 2 296.415 0.494 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000331934401 529881026 /nfs/dbraw/zinc/88/10/26/529881026.db2.gz NGIWRICYZOHPEE-AAEUAGOBSA-N 2 2 296.415 0.494 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)C[NH2+]CC1CC1 ZINC000423829996 529897730 /nfs/dbraw/zinc/89/77/30/529897730.db2.gz STVKXFVCARENHU-UHFFFAOYSA-N 2 2 250.346 0.731 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)NCCC[NH2+]C1CC1 ZINC000418299642 529911128 /nfs/dbraw/zinc/91/11/28/529911128.db2.gz LMHONNDHICLVIG-UHFFFAOYSA-N 2 2 284.404 0.102 20 0 CCADLP C[NH2+]CCC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000423883642 529959074 /nfs/dbraw/zinc/95/90/74/529959074.db2.gz YBSDKZAEEBFNIY-CYBMUJFWSA-N 2 2 269.389 0.165 20 0 CCADLP C[NH2+]CCC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000423883642 529959075 /nfs/dbraw/zinc/95/90/75/529959075.db2.gz YBSDKZAEEBFNIY-CYBMUJFWSA-N 2 2 269.389 0.165 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H](n2cccn2)C1)C1CC1 ZINC000361591539 529960119 /nfs/dbraw/zinc/96/01/19/529960119.db2.gz OCDCMVRNZCBKKR-KGLIPLIRSA-N 2 2 264.373 0.585 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H](n2cccn2)C1)C1CC1 ZINC000361591539 529960120 /nfs/dbraw/zinc/96/01/20/529960120.db2.gz OCDCMVRNZCBKKR-KGLIPLIRSA-N 2 2 264.373 0.585 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H](n2cccn2)C1)C1CC1 ZINC000361591539 529960122 /nfs/dbraw/zinc/96/01/22/529960122.db2.gz OCDCMVRNZCBKKR-KGLIPLIRSA-N 2 2 264.373 0.585 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H](n2cccn2)C1)C1CC1 ZINC000361591539 529960123 /nfs/dbraw/zinc/96/01/23/529960123.db2.gz OCDCMVRNZCBKKR-KGLIPLIRSA-N 2 2 264.373 0.585 20 0 CCADLP C[C@H](NC(=O)N1CC[NH2+][C@H](C)[C@@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000417521305 299108188 /nfs/dbraw/zinc/10/81/88/299108188.db2.gz PEIZQYUPJHTVSL-RFGFWPKPSA-N 2 2 298.431 0.487 20 0 CCADLP C[N@@H+](CC(=O)NC[C@@H]1CCCO1)C[C@@H]1CCC[NH+](C)C1 ZINC000158065263 282355024 /nfs/dbraw/zinc/35/50/24/282355024.db2.gz XSAWBRACZDYRMC-KGLIPLIRSA-N 2 2 283.416 0.555 20 0 CCADLP C[N@H+](CC(=O)NC[C@@H]1CCCO1)C[C@@H]1CCC[NH+](C)C1 ZINC000158065263 282355026 /nfs/dbraw/zinc/35/50/26/282355026.db2.gz XSAWBRACZDYRMC-KGLIPLIRSA-N 2 2 283.416 0.555 20 0 CCADLP C[NH+](CC(=O)NC[C@@H]1CCCO1)C[C@@H]1CCC[N@H+](C)C1 ZINC000158065263 282355027 /nfs/dbraw/zinc/35/50/27/282355027.db2.gz XSAWBRACZDYRMC-KGLIPLIRSA-N 2 2 283.416 0.555 20 0 CCADLP C[NH+](CC(=O)NC[C@@H]1CCCO1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000158065263 282355028 /nfs/dbraw/zinc/35/50/28/282355028.db2.gz XSAWBRACZDYRMC-KGLIPLIRSA-N 2 2 283.416 0.555 20 0 CCADLP C[NH2+][C@@H](C)CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000423626193 530040777 /nfs/dbraw/zinc/04/07/77/530040777.db2.gz GVPYBLODQMBQNU-AAEUAGOBSA-N 2 2 269.389 0.211 20 0 CCADLP C[NH2+][C@@H](C)CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000423626193 530040778 /nfs/dbraw/zinc/04/07/78/530040778.db2.gz GVPYBLODQMBQNU-AAEUAGOBSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[NH+]1CCOCC1 ZINC000355408707 232040240 /nfs/dbraw/zinc/04/02/40/232040240.db2.gz GAPCUQRTRZQPEF-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C3CCOCC3)C2=O)CC[N@@H+]1C ZINC000358183922 232060310 /nfs/dbraw/zinc/06/03/10/232060310.db2.gz DYKJANQXFWNWJU-NFAWXSAZSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C3CCOCC3)C2=O)CC[N@H+]1C ZINC000358183922 232060313 /nfs/dbraw/zinc/06/03/13/232060313.db2.gz DYKJANQXFWNWJU-NFAWXSAZSA-N 2 2 295.427 0.839 20 0 CCADLP O[C@]1(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CCOC1 ZINC000358217691 232065172 /nfs/dbraw/zinc/06/51/72/232065172.db2.gz CSYGYDSOXDRULT-INIZCTEOSA-N 2 2 291.395 0.787 20 0 CCADLP COC(=O)[C@@H]1CC12CC[NH+](CCC[NH+]1CCOCC1)CC2 ZINC000358498823 232113008 /nfs/dbraw/zinc/11/30/08/232113008.db2.gz ZFSKWZIJDUXQIO-AWEZNQCLSA-N 2 2 296.411 0.984 20 0 CCADLP C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C[NH3+] ZINC000163551177 290745162 /nfs/dbraw/zinc/74/51/62/290745162.db2.gz LTCALWRECUGFRF-RYUDHWBXSA-N 2 2 250.346 0.717 20 0 CCADLP COCC[NH2+]CC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000361738696 232214209 /nfs/dbraw/zinc/21/42/09/232214209.db2.gz ACZYMADGCJBIHY-NSHDSACASA-N 2 2 266.345 0.352 20 0 CCADLP CCN1CC[NH+]([C@H]2CCN(C(=O)C3=CC[C@H]([NH3+])C3)C2)CC1 ZINC000602506274 362649471 /nfs/dbraw/zinc/64/94/71/362649471.db2.gz MPRXWOQFGFFAJT-GJZGRUSLSA-N 2 2 292.427 0.272 20 0 CCADLP O=C(N[C@@H]1CC[NH2+]C1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000127562620 187315497 /nfs/dbraw/zinc/31/54/97/187315497.db2.gz LUYBBZAHJJSCED-LLVKDONJSA-N 2 2 257.297 0.359 20 0 CCADLP CCOC(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119729443 349950142 /nfs/dbraw/zinc/95/01/42/349950142.db2.gz SXLUJTVHZFTRFG-YIONKMFJSA-N 2 2 295.427 0.792 20 0 CCADLP CCOC(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119729443 349950146 /nfs/dbraw/zinc/95/01/46/349950146.db2.gz SXLUJTVHZFTRFG-YIONKMFJSA-N 2 2 295.427 0.792 20 0 CCADLP COC(=O)c1csc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1 ZINC000602614483 362715140 /nfs/dbraw/zinc/71/51/40/362715140.db2.gz ZVINBBCKNDGRRD-CYBMUJFWSA-N 2 2 284.381 0.691 20 0 CCADLP COC(=O)c1csc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000602614483 362715142 /nfs/dbraw/zinc/71/51/42/362715142.db2.gz ZVINBBCKNDGRRD-CYBMUJFWSA-N 2 2 284.381 0.691 20 0 CCADLP O[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000631742457 370652209 /nfs/dbraw/zinc/65/22/09/370652209.db2.gz VMFNOFTZYFGSFK-IHRRRGAJSA-N 2 2 254.374 0.743 20 0 CCADLP COC(=O)CC1CC([NH2+][C@@H]2CCC[C@@H]2[N@@H+]2CC[C@H](O)C2)C1 ZINC000602733275 362775652 /nfs/dbraw/zinc/77/56/52/362775652.db2.gz AQRBPZHGJCPQMA-PCGVCOGMSA-N 2 2 296.411 0.905 20 0 CCADLP COC(=O)CC1CC([NH2+][C@@H]2CCC[C@@H]2[N@H+]2CC[C@H](O)C2)C1 ZINC000602733275 362775659 /nfs/dbraw/zinc/77/56/59/362775659.db2.gz AQRBPZHGJCPQMA-PCGVCOGMSA-N 2 2 296.411 0.905 20 0 CCADLP COC(=O)CNC(=O)C[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000602748939 362782096 /nfs/dbraw/zinc/78/20/96/362782096.db2.gz QHXIUPYQHHPWLU-UHFFFAOYSA-N 2 2 290.323 0.022 20 0 CCADLP CCN(C#N)CC[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000602777323 362796374 /nfs/dbraw/zinc/79/63/74/362796374.db2.gz VWKPJFHUSZZPOD-HNNXBMFYSA-N 2 2 279.432 0.501 20 0 CCADLP CCN(C#N)CC[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000602777323 362796378 /nfs/dbraw/zinc/79/63/78/362796378.db2.gz VWKPJFHUSZZPOD-HNNXBMFYSA-N 2 2 279.432 0.501 20 0 CCADLP COC(=O)[C@H]1C[C@H](OC)CC[N@@H+]1CCc1c[nH+]cn1C ZINC000602799205 362808387 /nfs/dbraw/zinc/80/83/87/362808387.db2.gz BSGBDPKYHVPIDC-CHWSQXEVSA-N 2 2 281.356 0.615 20 0 CCADLP COC(=O)[C@H]1C[C@H](OC)CC[N@H+]1CCc1c[nH+]cn1C ZINC000602799205 362808390 /nfs/dbraw/zinc/80/83/90/362808390.db2.gz BSGBDPKYHVPIDC-CHWSQXEVSA-N 2 2 281.356 0.615 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252767988 137003978 /nfs/dbraw/zinc/00/39/78/137003978.db2.gz JVJUHIFRTPSVRJ-WDEREUQCSA-N 2 2 270.377 0.281 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252767988 137003979 /nfs/dbraw/zinc/00/39/79/137003979.db2.gz JVJUHIFRTPSVRJ-WDEREUQCSA-N 2 2 270.377 0.281 20 0 CCADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261566512 137008751 /nfs/dbraw/zinc/00/87/51/137008751.db2.gz IFQRHRQCUYPZMO-AVGNSLFASA-N 2 2 253.390 0.688 20 0 CCADLP CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261566512 137008752 /nfs/dbraw/zinc/00/87/52/137008752.db2.gz IFQRHRQCUYPZMO-AVGNSLFASA-N 2 2 253.390 0.688 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@@H](C)O1 ZINC000261652604 137013867 /nfs/dbraw/zinc/01/38/67/137013867.db2.gz DJVZGYXFWCFXCN-AAVRWANBSA-N 2 2 281.400 0.164 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@@H](C)O1 ZINC000261652604 137013868 /nfs/dbraw/zinc/01/38/68/137013868.db2.gz DJVZGYXFWCFXCN-AAVRWANBSA-N 2 2 281.400 0.164 20 0 CCADLP Cc1cc(NC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)cc[nH+]1 ZINC000262399575 137042110 /nfs/dbraw/zinc/04/21/10/137042110.db2.gz PICFAXWHSOQUFW-UHFFFAOYSA-N 2 2 297.380 0.495 20 0 CCADLP O=C1c2ccccc2C(=O)N1CC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262446604 137043650 /nfs/dbraw/zinc/04/36/50/137043650.db2.gz HJMKADIFXLTQFW-KRWDZBQOSA-N 2 2 299.374 0.968 20 0 CCADLP O=C1c2ccccc2C(=O)N1CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262446604 137043651 /nfs/dbraw/zinc/04/36/51/137043651.db2.gz HJMKADIFXLTQFW-KRWDZBQOSA-N 2 2 299.374 0.968 20 0 CCADLP O=C(NCC[NH+]1CCCCC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262730473 137052218 /nfs/dbraw/zinc/05/22/18/137052218.db2.gz BKWPKEAXVCVVFQ-SNVBAGLBSA-N 2 2 261.316 0.586 20 0 CCADLP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263184098 137059699 /nfs/dbraw/zinc/05/96/99/137059699.db2.gz HBOUQQRISAGCED-UWVGGRQHSA-N 2 2 263.332 0.830 20 0 CCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263184098 137059700 /nfs/dbraw/zinc/05/97/00/137059700.db2.gz HBOUQQRISAGCED-UWVGGRQHSA-N 2 2 263.332 0.830 20 0 CCADLP Cn1c[nH+]cc1CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261743831 137017506 /nfs/dbraw/zinc/01/75/06/137017506.db2.gz MXMGBOKDKPRHMX-CQSZACIVSA-N 2 2 257.341 0.962 20 0 CCADLP CC(C)NC(=O)C[NH+]1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261765914 137019254 /nfs/dbraw/zinc/01/92/54/137019254.db2.gz MBIWSZZMAMRDHW-OAHLLOKOSA-N 2 2 282.432 0.128 20 0 CCADLP CC(C)NC(=O)CN1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261765914 137019255 /nfs/dbraw/zinc/01/92/55/137019255.db2.gz MBIWSZZMAMRDHW-OAHLLOKOSA-N 2 2 282.432 0.128 20 0 CCADLP C[C@@H]([NH3+])C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000261814421 137020831 /nfs/dbraw/zinc/02/08/31/137020831.db2.gz MCSDIRDOBGSYEQ-ZJUUUORDSA-N 2 2 264.373 0.959 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@@H+]2CC[C@](C)(C[NH3+])C2)n1 ZINC000261837660 137021863 /nfs/dbraw/zinc/02/18/63/137021863.db2.gz ZLOUWLMHFIIWHR-CYBMUJFWSA-N 2 2 250.346 0.915 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@H+]2CC[C@](C)(C[NH3+])C2)n1 ZINC000261837660 137021864 /nfs/dbraw/zinc/02/18/64/137021864.db2.gz ZLOUWLMHFIIWHR-CYBMUJFWSA-N 2 2 250.346 0.915 20 0 CCADLP C[C@@]1(C[N@H+](CC(N)=O)Cc2ccccc2)CC[NH2+]C1 ZINC000261936368 137026568 /nfs/dbraw/zinc/02/65/68/137026568.db2.gz DGRLSIGGUBYFSA-OAHLLOKOSA-N 2 2 261.369 0.974 20 0 CCADLP C[C@@]1(C[N@@H+](CC(N)=O)Cc2ccccc2)CC[NH2+]C1 ZINC000261936368 137026569 /nfs/dbraw/zinc/02/65/69/137026569.db2.gz DGRLSIGGUBYFSA-OAHLLOKOSA-N 2 2 261.369 0.974 20 0 CCADLP C(CN1CCCC1)[NH2+][C@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261994112 137027425 /nfs/dbraw/zinc/02/74/25/137027425.db2.gz TWLFMWYNXRQNOM-KKUMJFAQSA-N 2 2 267.417 0.829 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000261988745 137027594 /nfs/dbraw/zinc/02/75/94/137027594.db2.gz XPIYSKFEMFSQMW-ZDUSSCGKSA-N 2 2 295.427 0.603 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000261988745 137027595 /nfs/dbraw/zinc/02/75/95/137027595.db2.gz XPIYSKFEMFSQMW-ZDUSSCGKSA-N 2 2 295.427 0.603 20 0 CCADLP COC[C@H]([NH3+])C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000263257525 137061583 /nfs/dbraw/zinc/06/15/83/137061583.db2.gz RGWCFGHVZNAIQJ-JTQLQIEISA-N 2 2 282.731 0.578 20 0 CCADLP CC[N@H+](CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)C(C)C ZINC000263298520 137063364 /nfs/dbraw/zinc/06/33/64/137063364.db2.gz WRYGUNHYJGEXFB-JTQLQIEISA-N 2 2 263.332 0.830 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)C(C)C ZINC000263298520 137063365 /nfs/dbraw/zinc/06/33/65/137063365.db2.gz WRYGUNHYJGEXFB-JTQLQIEISA-N 2 2 263.332 0.830 20 0 CCADLP CCn1nc(C)c(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)c1C ZINC000307969381 137071176 /nfs/dbraw/zinc/07/11/76/137071176.db2.gz ZYFJAOJHEALBLG-UHFFFAOYSA-N 2 2 293.415 0.383 20 0 CCADLP CCn1nc(C)c(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c1C ZINC000307969381 137071177 /nfs/dbraw/zinc/07/11/77/137071177.db2.gz ZYFJAOJHEALBLG-UHFFFAOYSA-N 2 2 293.415 0.383 20 0 CCADLP CS(=O)(=O)NCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000535573320 290834221 /nfs/dbraw/zinc/83/42/21/290834221.db2.gz NDTGDYRZMUSAOS-UHFFFAOYSA-N 2 2 298.412 0.507 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)OCCO)C[N@@H+]1C1CC1 ZINC000311215409 137074141 /nfs/dbraw/zinc/07/41/41/137074141.db2.gz RLOXQDSIDQICKN-NEPJUHHUSA-N 2 2 256.390 0.989 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)OCCO)C[N@H+]1C1CC1 ZINC000311215409 137074142 /nfs/dbraw/zinc/07/41/42/137074142.db2.gz RLOXQDSIDQICKN-NEPJUHHUSA-N 2 2 256.390 0.989 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000313260673 137077993 /nfs/dbraw/zinc/07/79/93/137077993.db2.gz YSIFJGAFUZBROA-NWDGAFQWSA-N 2 2 282.388 0.296 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000313260673 137077994 /nfs/dbraw/zinc/07/79/94/137077994.db2.gz YSIFJGAFUZBROA-NWDGAFQWSA-N 2 2 282.388 0.296 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000332926052 137082271 /nfs/dbraw/zinc/08/22/71/137082271.db2.gz JZLXUHATRLLHLM-MRVWCRGKSA-N 2 2 296.415 0.099 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000332926052 137082272 /nfs/dbraw/zinc/08/22/72/137082272.db2.gz JZLXUHATRLLHLM-MRVWCRGKSA-N 2 2 296.415 0.099 20 0 CCADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000332926052 137082273 /nfs/dbraw/zinc/08/22/73/137082273.db2.gz JZLXUHATRLLHLM-MRVWCRGKSA-N 2 2 296.415 0.099 20 0 CCADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000332926052 137082274 /nfs/dbraw/zinc/08/22/74/137082274.db2.gz JZLXUHATRLLHLM-MRVWCRGKSA-N 2 2 296.415 0.099 20 0 CCADLP [NH3+]CC[N@H+](CCO)CCC(=O)Nc1ccccc1F ZINC000342394159 137091455 /nfs/dbraw/zinc/09/14/55/137091455.db2.gz XECYHOIDJTYFQB-UHFFFAOYSA-N 2 2 269.320 0.407 20 0 CCADLP [NH3+]CC[N@@H+](CCO)CCC(=O)Nc1ccccc1F ZINC000342394159 137091456 /nfs/dbraw/zinc/09/14/56/137091456.db2.gz XECYHOIDJTYFQB-UHFFFAOYSA-N 2 2 269.320 0.407 20 0 CCADLP Cc1c(F)cccc1NC(=O)CC[N@H+](CC[NH3+])CCO ZINC000342439545 137094329 /nfs/dbraw/zinc/09/43/29/137094329.db2.gz WDDCLEJDPUTTAW-UHFFFAOYSA-N 2 2 283.347 0.716 20 0 CCADLP Cc1c(F)cccc1NC(=O)CC[N@@H+](CC[NH3+])CCO ZINC000342439545 137094330 /nfs/dbraw/zinc/09/43/30/137094330.db2.gz WDDCLEJDPUTTAW-UHFFFAOYSA-N 2 2 283.347 0.716 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000343560209 137141935 /nfs/dbraw/zinc/14/19/35/137141935.db2.gz GHIGAXPZGGMSIQ-LBPRGKRZSA-N 2 2 257.378 0.164 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000343560209 137141936 /nfs/dbraw/zinc/14/19/36/137141936.db2.gz GHIGAXPZGGMSIQ-LBPRGKRZSA-N 2 2 257.378 0.164 20 0 CCADLP COC(=O)CC[C@@H]([NH3+])C(=O)N(C)CCCn1cc[nH+]c1 ZINC000343790861 137157655 /nfs/dbraw/zinc/15/76/55/137157655.db2.gz CVBVCXSAQRHFAV-LLVKDONJSA-N 2 2 282.344 0.012 20 0 CCADLP C[N@H+](C[C@H](O)C(C)(C)C)C1CC[NH+](CCO)CC1 ZINC000343988717 137172040 /nfs/dbraw/zinc/17/20/40/137172040.db2.gz YXGOQJHHRDNOJJ-ZDUSSCGKSA-N 2 2 258.406 0.782 20 0 CCADLP C[N@@H+](C[C@H](O)C(C)(C)C)C1CC[NH+](CCO)CC1 ZINC000343988717 137172041 /nfs/dbraw/zinc/17/20/41/137172041.db2.gz YXGOQJHHRDNOJJ-ZDUSSCGKSA-N 2 2 258.406 0.782 20 0 CCADLP CO[C@@H]1[C@H](C)[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000344029418 137174582 /nfs/dbraw/zinc/17/45/82/137174582.db2.gz XLIUWGVQZQSASQ-KWCYVHTRSA-N 2 2 283.416 0.410 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000343344376 137129794 /nfs/dbraw/zinc/12/97/94/137129794.db2.gz CZAIDABIEFUBNR-UMVBOHGHSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000343344376 137129795 /nfs/dbraw/zinc/12/97/95/137129795.db2.gz CZAIDABIEFUBNR-UMVBOHGHSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@H]1OCC[NH2+][C@H]1C(=O)NCCCCNc1cccc[nH+]1 ZINC000344436673 137194383 /nfs/dbraw/zinc/19/43/83/137194383.db2.gz HQMOVYFCKVGCLO-TZMCWYRMSA-N 2 2 292.383 0.767 20 0 CCADLP CC[N@@H+]1CC[C@@H]2OCCN(CCn3cc[nH+]c3)[C@@H]2C1 ZINC000339384014 215136176 /nfs/dbraw/zinc/13/61/76/215136176.db2.gz BVUFWOKEUPABDI-KGLIPLIRSA-N 2 2 264.373 0.678 20 0 CCADLP CC[N@H+]1CC[C@@H]2OCCN(CCn3cc[nH+]c3)[C@@H]2C1 ZINC000339384014 215136179 /nfs/dbraw/zinc/13/61/79/215136179.db2.gz BVUFWOKEUPABDI-KGLIPLIRSA-N 2 2 264.373 0.678 20 0 CCADLP COc1ccccc1CNC(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000036301118 348165992 /nfs/dbraw/zinc/16/59/92/348165992.db2.gz ZPSFJRVZZKKMPA-UHFFFAOYSA-N 2 2 291.395 0.995 20 0 CCADLP COc1ccccc1CNC(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000036301118 348165995 /nfs/dbraw/zinc/16/59/95/348165995.db2.gz ZPSFJRVZZKKMPA-UHFFFAOYSA-N 2 2 291.395 0.995 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[N@H+](C)C1CC[NH2+]CC1)C(=O)OC ZINC000036300990 348166050 /nfs/dbraw/zinc/16/60/50/348166050.db2.gz RLKDMHUWXCIONF-FZMZJTMJSA-N 2 2 299.415 0.374 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+](C)C1CC[NH2+]CC1)C(=O)OC ZINC000036300990 348166053 /nfs/dbraw/zinc/16/60/53/348166053.db2.gz RLKDMHUWXCIONF-FZMZJTMJSA-N 2 2 299.415 0.374 20 0 CCADLP C[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000037802002 348206559 /nfs/dbraw/zinc/20/65/59/348206559.db2.gz RDTJVLJDKRBOLY-SNVBAGLBSA-N 2 2 253.371 0.740 20 0 CCADLP CCOC(=O)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000041325800 348251580 /nfs/dbraw/zinc/25/15/80/348251580.db2.gz RMTRXHGSGJIYAT-LBPRGKRZSA-N 2 2 255.362 0.760 20 0 CCADLP COCC[NH+]1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000345714164 137247809 /nfs/dbraw/zinc/24/78/09/137247809.db2.gz GSOUTOKJLDHTBV-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)[C@H]1CCCO1 ZINC000346560917 137293193 /nfs/dbraw/zinc/29/31/93/137293193.db2.gz PLBKIJSBNIVTGR-HZPDHXFCSA-N 2 2 299.459 0.534 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000044529369 348321856 /nfs/dbraw/zinc/32/18/56/348321856.db2.gz JPRFPKWZCVOVMX-NSHDSACASA-N 2 2 282.388 0.426 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000044529369 348321857 /nfs/dbraw/zinc/32/18/57/348321857.db2.gz JPRFPKWZCVOVMX-NSHDSACASA-N 2 2 282.388 0.426 20 0 CCADLP CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1)C(=O)OC ZINC000044530453 348321869 /nfs/dbraw/zinc/32/18/69/348321869.db2.gz ACKLNPUQQMVCFZ-OUCADQQQSA-N 2 2 299.415 0.361 20 0 CCADLP CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CCC[C@H](C[NH3+])C1)C(=O)OC ZINC000044530453 348321872 /nfs/dbraw/zinc/32/18/72/348321872.db2.gz ACKLNPUQQMVCFZ-OUCADQQQSA-N 2 2 299.415 0.361 20 0 CCADLP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@@H]2C[NH2+]CCO2)cn1 ZINC000043708375 348313640 /nfs/dbraw/zinc/31/36/40/348313640.db2.gz IFZYJRSTZTXCAT-LBPRGKRZSA-N 2 2 287.323 0.503 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000346130154 137268973 /nfs/dbraw/zinc/26/89/73/137268973.db2.gz GGXRNDCCHYVGBO-GXTWGEPZSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000346130154 137268974 /nfs/dbraw/zinc/26/89/74/137268974.db2.gz GGXRNDCCHYVGBO-GXTWGEPZSA-N 2 2 283.416 0.696 20 0 CCADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)CC(N)=O ZINC000346134772 137269176 /nfs/dbraw/zinc/26/91/76/137269176.db2.gz OFQBEODKYHTBBZ-UHFFFAOYSA-N 2 2 259.313 0.493 20 0 CCADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)CC(N)=O ZINC000346134772 137269177 /nfs/dbraw/zinc/26/91/77/137269177.db2.gz OFQBEODKYHTBBZ-UHFFFAOYSA-N 2 2 259.313 0.493 20 0 CCADLP CC[N@@H+]1C[C@H](C)N(C[C@H](O)C[NH+]2CCOCC2)C[C@@H]1C ZINC000346199470 137272539 /nfs/dbraw/zinc/27/25/39/137272539.db2.gz VUIJSINQSMMADO-SOUVJXGZSA-N 2 2 285.432 0.094 20 0 CCADLP CC[N@H+]1C[C@H](C)N(C[C@H](O)C[NH+]2CCOCC2)C[C@@H]1C ZINC000346199470 137272540 /nfs/dbraw/zinc/27/25/40/137272540.db2.gz VUIJSINQSMMADO-SOUVJXGZSA-N 2 2 285.432 0.094 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]Cc1cc2c(c(OC)c1)OCO2 ZINC000346214948 137273261 /nfs/dbraw/zinc/27/32/61/137273261.db2.gz HQVKEARUGGVJPZ-UHFFFAOYSA-N 2 2 296.367 0.828 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]Cc1cc2c(c(OC)c1)OCO2 ZINC000346214948 137273262 /nfs/dbraw/zinc/27/32/62/137273262.db2.gz HQVKEARUGGVJPZ-UHFFFAOYSA-N 2 2 296.367 0.828 20 0 CCADLP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)[nH]1 ZINC000347007938 137315061 /nfs/dbraw/zinc/31/50/61/137315061.db2.gz DSAARWQAVMSGSH-JTQLQIEISA-N 2 2 251.330 0.972 20 0 CCADLP COC(=O)c1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)[nH]1 ZINC000347007938 137315062 /nfs/dbraw/zinc/31/50/62/137315062.db2.gz DSAARWQAVMSGSH-JTQLQIEISA-N 2 2 251.330 0.972 20 0 CCADLP COC[C@@]1(C(=O)OC)CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000602913140 362883760 /nfs/dbraw/zinc/88/37/60/362883760.db2.gz UMIZEFYBUVWWLZ-CQSZACIVSA-N 2 2 281.356 0.927 20 0 CCADLP COC[C@@]1(C(=O)OC)CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000602913140 362883766 /nfs/dbraw/zinc/88/37/66/362883766.db2.gz UMIZEFYBUVWWLZ-CQSZACIVSA-N 2 2 281.356 0.927 20 0 CCADLP [NH3+]C[C@H]1CCC[N@H+](Cc2cn(Cc3cccnc3)nn2)C1 ZINC000347094585 137319442 /nfs/dbraw/zinc/31/94/42/137319442.db2.gz HVGWVKCUBFUHQY-CYBMUJFWSA-N 2 2 286.383 0.892 20 0 CCADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2cn(Cc3cccnc3)nn2)C1 ZINC000347094585 137319443 /nfs/dbraw/zinc/31/94/43/137319443.db2.gz HVGWVKCUBFUHQY-CYBMUJFWSA-N 2 2 286.383 0.892 20 0 CCADLP CSCC[C@H]([NH3+])C(=O)NCCCCn1cc[nH+]c1 ZINC000045109199 348334126 /nfs/dbraw/zinc/33/41/26/348334126.db2.gz JDFKRYGCUJPVRB-NSHDSACASA-N 2 2 270.402 0.860 20 0 CCADLP c1cnn(C[C@H]2C[N@H+](C[C@@H]3CCC[NH2+]C3)CCO2)c1 ZINC000346848864 137308106 /nfs/dbraw/zinc/30/81/06/137308106.db2.gz OKIUDFLEUWBPGE-ZIAGYGMSSA-N 2 2 264.373 0.584 20 0 CCADLP c1cnn(C[C@H]2C[N@@H+](C[C@@H]3CCC[NH2+]C3)CCO2)c1 ZINC000346848864 137308107 /nfs/dbraw/zinc/30/81/07/137308107.db2.gz OKIUDFLEUWBPGE-ZIAGYGMSSA-N 2 2 264.373 0.584 20 0 CCADLP CCOC(=O)[C@](C)(O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347115537 137320997 /nfs/dbraw/zinc/32/09/97/137320997.db2.gz ALZPZYWFIXQGOC-DZGCQCFKSA-N 2 2 294.351 0.849 20 0 CCADLP CCOC(=O)[C@](C)(O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347115537 137320998 /nfs/dbraw/zinc/32/09/98/137320998.db2.gz ALZPZYWFIXQGOC-DZGCQCFKSA-N 2 2 294.351 0.849 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@@H](NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000347160905 137323106 /nfs/dbraw/zinc/32/31/06/137323106.db2.gz WCGQKJWMWITYEZ-HIFRSBDPSA-N 2 2 296.459 0.469 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@@H](NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000347160905 137323107 /nfs/dbraw/zinc/32/31/07/137323107.db2.gz WCGQKJWMWITYEZ-HIFRSBDPSA-N 2 2 296.459 0.469 20 0 CCADLP O=C(CCOC1C[NH2+]C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000349049978 137385314 /nfs/dbraw/zinc/38/53/14/137385314.db2.gz ITIAHXNOAUPOAV-NSHDSACASA-N 2 2 278.356 0.494 20 0 CCADLP COCC[N@@H+]1CC[C@H]([NH2+]CC[C@H](O)C(F)(F)F)C1 ZINC000349335687 137392074 /nfs/dbraw/zinc/39/20/74/137392074.db2.gz VSXRFNDAOAAKPS-UWVGGRQHSA-N 2 2 270.295 0.610 20 0 CCADLP COCC[N@H+]1CC[C@H]([NH2+]CC[C@H](O)C(F)(F)F)C1 ZINC000349335687 137392075 /nfs/dbraw/zinc/39/20/75/137392075.db2.gz VSXRFNDAOAAKPS-UWVGGRQHSA-N 2 2 270.295 0.610 20 0 CCADLP C[NH+](C)Cc1cnc(C[N@H+](CCO)CCCO)s1 ZINC000347787499 137356998 /nfs/dbraw/zinc/35/69/98/137356998.db2.gz SLJAMJYQNWOARJ-UHFFFAOYSA-N 2 2 273.402 0.381 20 0 CCADLP C[NH+](C)Cc1cnc(C[N@@H+](CCO)CCCO)s1 ZINC000347787499 137356999 /nfs/dbraw/zinc/35/69/99/137356999.db2.gz SLJAMJYQNWOARJ-UHFFFAOYSA-N 2 2 273.402 0.381 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cn1C ZINC000348020645 137369143 /nfs/dbraw/zinc/36/91/43/137369143.db2.gz PVSWHGYTMVJLGT-CYBMUJFWSA-N 2 2 294.399 0.147 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cn1C ZINC000348020645 137369144 /nfs/dbraw/zinc/36/91/44/137369144.db2.gz PVSWHGYTMVJLGT-CYBMUJFWSA-N 2 2 294.399 0.147 20 0 CCADLP C[N@H+](CC[C@@H]1CCC[NH+]1C)C1CC[NH+](CCO)CC1 ZINC000348067425 137371300 /nfs/dbraw/zinc/37/13/00/137371300.db2.gz ACOMWSOWWKTLLK-AWEZNQCLSA-N 3 2 269.433 0.859 20 0 CCADLP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CC[NH+](CCO)CC1 ZINC000348067425 137371301 /nfs/dbraw/zinc/37/13/01/137371301.db2.gz ACOMWSOWWKTLLK-AWEZNQCLSA-N 3 2 269.433 0.859 20 0 CCADLP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CCO)CC1 ZINC000348067425 137371302 /nfs/dbraw/zinc/37/13/02/137371302.db2.gz ACOMWSOWWKTLLK-AWEZNQCLSA-N 3 2 269.433 0.859 20 0 CCADLP C[NH+](CC[C@@H]1CCC[N@H+]1C)C1CC[NH+](CCO)CC1 ZINC000348067425 137371303 /nfs/dbraw/zinc/37/13/03/137371303.db2.gz ACOMWSOWWKTLLK-AWEZNQCLSA-N 3 2 269.433 0.859 20 0 CCADLP C[NH2+][C@@H](C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000054073053 348540122 /nfs/dbraw/zinc/54/01/22/348540122.db2.gz WYVFLIYQZGJWST-NSHDSACASA-N 2 2 262.357 0.775 20 0 CCADLP C[NH2+][C@@H](C)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000054076291 348540950 /nfs/dbraw/zinc/54/09/50/348540950.db2.gz RUONRYAVKWOSIB-ZDUSSCGKSA-N 2 2 291.395 0.743 20 0 CCADLP C[N@H+](CCO)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000060754743 348647224 /nfs/dbraw/zinc/64/72/24/348647224.db2.gz DIMDCPLHGHENQY-UHFFFAOYSA-N 2 2 292.383 0.044 20 0 CCADLP C[N@@H+](CCO)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000060754743 348647225 /nfs/dbraw/zinc/64/72/25/348647225.db2.gz DIMDCPLHGHENQY-UHFFFAOYSA-N 2 2 292.383 0.044 20 0 CCADLP CCCC[C@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976867 348674503 /nfs/dbraw/zinc/67/45/03/348674503.db2.gz MFASGDOPMBBJBU-STQMWFEESA-N 2 2 269.389 0.437 20 0 CCADLP COCC[N@H+](C)CCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000068349298 348807319 /nfs/dbraw/zinc/80/73/19/348807319.db2.gz OLTVVGGSJDWYMV-UHFFFAOYSA-N 2 2 276.340 0.642 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000068349298 348807321 /nfs/dbraw/zinc/80/73/21/348807321.db2.gz OLTVVGGSJDWYMV-UHFFFAOYSA-N 2 2 276.340 0.642 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000068803260 348822759 /nfs/dbraw/zinc/82/27/59/348822759.db2.gz ADZSXRBDKUXRHJ-AWEZNQCLSA-N 2 2 279.432 0.974 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000068803260 348822760 /nfs/dbraw/zinc/82/27/60/348822760.db2.gz ADZSXRBDKUXRHJ-AWEZNQCLSA-N 2 2 279.432 0.974 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000069136813 348832492 /nfs/dbraw/zinc/83/24/92/348832492.db2.gz NWAWIRUPQIHWNY-GHMZBOCLSA-N 2 2 257.359 0.438 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070150089 348873024 /nfs/dbraw/zinc/87/30/24/348873024.db2.gz BBIAEIBGFBKWQZ-LLVKDONJSA-N 2 2 270.377 0.426 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070150089 348873027 /nfs/dbraw/zinc/87/30/27/348873027.db2.gz BBIAEIBGFBKWQZ-LLVKDONJSA-N 2 2 270.377 0.426 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCCN2CC[NH+](C)CC2)n1C ZINC000070142786 348873816 /nfs/dbraw/zinc/87/38/16/348873816.db2.gz BEXNYQKIWQHHLM-UHFFFAOYSA-N 3 2 294.447 0.213 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000070174067 348876768 /nfs/dbraw/zinc/87/67/68/348876768.db2.gz LNOJSUFUJWKJDE-VHSXEESVSA-N 2 2 268.361 0.034 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000070174067 348876769 /nfs/dbraw/zinc/87/67/69/348876769.db2.gz LNOJSUFUJWKJDE-VHSXEESVSA-N 2 2 268.361 0.034 20 0 CCADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070174234 348876803 /nfs/dbraw/zinc/87/68/03/348876803.db2.gz XIPXEQUNGXVHHV-CHWSQXEVSA-N 2 2 298.431 0.030 20 0 CCADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070174234 348876805 /nfs/dbraw/zinc/87/68/05/348876805.db2.gz XIPXEQUNGXVHHV-CHWSQXEVSA-N 2 2 298.431 0.030 20 0 CCADLP Cn1cc[nH+]c1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000071122388 348904257 /nfs/dbraw/zinc/90/42/57/348904257.db2.gz SRQWSBWYNHAZPV-UHFFFAOYSA-N 2 2 277.416 0.634 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CC[C@H](C[NH2+]C)C1)C(=O)OC ZINC000071146149 348904983 /nfs/dbraw/zinc/90/49/83/348904983.db2.gz CHKTZWDFGQBOGV-SCRDCRAPSA-N 2 2 299.415 0.232 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CC[C@H](C[NH2+]C)C1)C(=O)OC ZINC000071146149 348904985 /nfs/dbraw/zinc/90/49/85/348904985.db2.gz CHKTZWDFGQBOGV-SCRDCRAPSA-N 2 2 299.415 0.232 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000078524730 349141686 /nfs/dbraw/zinc/14/16/86/349141686.db2.gz PGYZARHOCIRSPX-LBPRGKRZSA-N 2 2 279.388 0.436 20 0 CCADLP COC(=O)CCC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000078760800 349152171 /nfs/dbraw/zinc/15/21/71/349152171.db2.gz DBEKIOQKHRPIOE-UHFFFAOYSA-N 2 2 297.399 0.180 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000080488805 349214897 /nfs/dbraw/zinc/21/48/97/349214897.db2.gz OFQIKJWLDNBICE-UHFFFAOYSA-N 2 2 294.399 0.842 20 0 CCADLP CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000080599430 349220920 /nfs/dbraw/zinc/22/09/20/349220920.db2.gz BXHWGDWCTAIUHW-UHFFFAOYSA-N 2 2 268.405 0.866 20 0 CCADLP CC(C)CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000081048283 349243295 /nfs/dbraw/zinc/24/32/95/349243295.db2.gz IICPMKDQCUAHEG-HNNXBMFYSA-N 2 2 297.443 0.896 20 0 CCADLP CC(C)CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000081048283 349243298 /nfs/dbraw/zinc/24/32/98/349243298.db2.gz IICPMKDQCUAHEG-HNNXBMFYSA-N 2 2 297.443 0.896 20 0 CCADLP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000087410019 349349354 /nfs/dbraw/zinc/34/93/54/349349354.db2.gz KXALRBUFDJCDEN-AAEUAGOBSA-N 2 2 265.405 0.625 20 0 CCADLP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000087410019 349349357 /nfs/dbraw/zinc/34/93/57/349349357.db2.gz KXALRBUFDJCDEN-AAEUAGOBSA-N 2 2 265.405 0.625 20 0 CCADLP Cc1ncsc1C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000088870006 349373939 /nfs/dbraw/zinc/37/39/39/349373939.db2.gz IZJNKJBDTWTCFE-LLVKDONJSA-N 2 2 254.403 0.787 20 0 CCADLP Cc1ncsc1C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000088870006 349373940 /nfs/dbraw/zinc/37/39/40/349373940.db2.gz IZJNKJBDTWTCFE-LLVKDONJSA-N 2 2 254.403 0.787 20 0 CCADLP Cc1nc(C)c(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)s1 ZINC000088868358 349374036 /nfs/dbraw/zinc/37/40/36/349374036.db2.gz XTQJWMAEIGWCSC-UHFFFAOYSA-N 2 2 282.413 0.624 20 0 CCADLP Cc1nc(C)c(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)s1 ZINC000088868358 349374040 /nfs/dbraw/zinc/37/40/40/349374040.db2.gz XTQJWMAEIGWCSC-UHFFFAOYSA-N 2 2 282.413 0.624 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)CC1 ZINC000120760955 350004005 /nfs/dbraw/zinc/00/40/05/350004005.db2.gz MWKIOUFUBWUWTK-CYBMUJFWSA-N 2 2 291.399 0.363 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)CC1 ZINC000120760955 350004006 /nfs/dbraw/zinc/00/40/06/350004006.db2.gz MWKIOUFUBWUWTK-CYBMUJFWSA-N 2 2 291.399 0.363 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000121202489 350027311 /nfs/dbraw/zinc/02/73/11/350027311.db2.gz HGWBATXKURFDFG-AWEZNQCLSA-N 2 2 269.389 0.309 20 0 CCADLP COC(=O)CCNC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123582818 350077474 /nfs/dbraw/zinc/07/74/74/350077474.db2.gz OFQPSZDMQNXENI-VXGBXAGGSA-N 2 2 285.388 0.080 20 0 CCADLP COC(=O)CCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123582818 350077476 /nfs/dbraw/zinc/07/74/76/350077476.db2.gz OFQPSZDMQNXENI-VXGBXAGGSA-N 2 2 285.388 0.080 20 0 CCADLP COC(=O)CCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123582818 350077478 /nfs/dbraw/zinc/07/74/78/350077478.db2.gz OFQPSZDMQNXENI-VXGBXAGGSA-N 2 2 285.388 0.080 20 0 CCADLP COC(=O)CCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123582818 350077480 /nfs/dbraw/zinc/07/74/80/350077480.db2.gz OFQPSZDMQNXENI-VXGBXAGGSA-N 2 2 285.388 0.080 20 0 CCADLP Cc1nc(C)c(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])s1 ZINC000122484021 350065808 /nfs/dbraw/zinc/06/58/08/350065808.db2.gz KYACREHSVCSWBD-NSHDSACASA-N 2 2 254.403 0.835 20 0 CCADLP Cc1nc(C)c(CN2CC[N@H+](C)C[C@@H]2C[NH3+])s1 ZINC000122484021 350065809 /nfs/dbraw/zinc/06/58/09/350065809.db2.gz KYACREHSVCSWBD-NSHDSACASA-N 2 2 254.403 0.835 20 0 CCADLP C[N@@H+]1CCN(C(=O)c2cccc3[nH]ccc32)[C@H](C[NH3+])C1 ZINC000124284821 350093139 /nfs/dbraw/zinc/09/31/39/350093139.db2.gz JPCRKHBORSZTSR-LLVKDONJSA-N 2 2 272.352 0.883 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2cccc(F)c2F)[C@@H](C[NH3+])C1 ZINC000124338905 350095072 /nfs/dbraw/zinc/09/50/72/350095072.db2.gz RZJKOXMKNGADLJ-NSHDSACASA-N 2 2 283.322 0.609 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2cccc(F)c2F)[C@@H](C[NH3+])C1 ZINC000124338905 350095076 /nfs/dbraw/zinc/09/50/76/350095076.db2.gz RZJKOXMKNGADLJ-NSHDSACASA-N 2 2 283.322 0.609 20 0 CCADLP COc1ccccc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000124352092 350096997 /nfs/dbraw/zinc/09/69/97/350096997.db2.gz IONULATVOLBNDN-NSHDSACASA-N 2 2 278.356 0.802 20 0 CCADLP COc1ccccc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000124352092 350096998 /nfs/dbraw/zinc/09/69/98/350096998.db2.gz IONULATVOLBNDN-NSHDSACASA-N 2 2 278.356 0.802 20 0 CCADLP [NH3+]Cc1nc(C(=O)N2CC[NH+](CC3CC3)CC2)cs1 ZINC000090931064 180065329 /nfs/dbraw/zinc/06/53/29/180065329.db2.gz FDJDARJZJLOKNZ-UHFFFAOYSA-N 2 2 280.397 0.770 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCC[C@H](C(N)=O)C2)CC[N@@H+]1C ZINC000127953430 350181784 /nfs/dbraw/zinc/18/17/84/350181784.db2.gz XVFHWFZEZWUHCV-QLFBSQMISA-N 3 2 296.459 0.646 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCC[C@H](C(N)=O)C2)CC[N@H+]1C ZINC000127953430 350181786 /nfs/dbraw/zinc/18/17/86/350181786.db2.gz XVFHWFZEZWUHCV-QLFBSQMISA-N 3 2 296.459 0.646 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC[NH+]1C ZINC000127953430 350181788 /nfs/dbraw/zinc/18/17/88/350181788.db2.gz XVFHWFZEZWUHCV-QLFBSQMISA-N 3 2 296.459 0.646 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)CC[NH+]1C ZINC000127953430 350181789 /nfs/dbraw/zinc/18/17/89/350181789.db2.gz XVFHWFZEZWUHCV-QLFBSQMISA-N 3 2 296.459 0.646 20 0 CCADLP CC[NH+]1CCN(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000105302237 186050424 /nfs/dbraw/zinc/05/04/24/186050424.db2.gz RBWNYGIVWGDHHR-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)CS(C)(=O)=O ZINC000132107955 350297071 /nfs/dbraw/zinc/29/70/71/350297071.db2.gz XJTWBJFMAQOTBI-NSHDSACASA-N 2 2 250.408 0.739 20 0 CCADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)CS(C)(=O)=O ZINC000132107955 350297072 /nfs/dbraw/zinc/29/70/72/350297072.db2.gz XJTWBJFMAQOTBI-NSHDSACASA-N 2 2 250.408 0.739 20 0 CCADLP CC[N@H+](C)CC[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC000135123399 350385771 /nfs/dbraw/zinc/38/57/71/350385771.db2.gz HTNMHSBUYSIXQC-UHFFFAOYSA-N 2 2 256.394 0.674 20 0 CCADLP CC[N@@H+](C)CC[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC000135123399 350385774 /nfs/dbraw/zinc/38/57/74/350385774.db2.gz HTNMHSBUYSIXQC-UHFFFAOYSA-N 2 2 256.394 0.674 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000135293554 350391197 /nfs/dbraw/zinc/39/11/97/350391197.db2.gz WLSPOUYORIVYFK-LLVKDONJSA-N 2 2 273.336 0.706 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000135293554 350391198 /nfs/dbraw/zinc/39/11/98/350391198.db2.gz WLSPOUYORIVYFK-LLVKDONJSA-N 2 2 273.336 0.706 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000106555449 186126049 /nfs/dbraw/zinc/12/60/49/186126049.db2.gz VQZWSNINMQYSHC-CQSZACIVSA-N 2 2 299.463 0.262 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000106555449 186126050 /nfs/dbraw/zinc/12/60/50/186126050.db2.gz VQZWSNINMQYSHC-CQSZACIVSA-N 2 2 299.463 0.262 20 0 CCADLP CC(C)CCNC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577219 186179910 /nfs/dbraw/zinc/17/99/10/186179910.db2.gz IYWUSKQLAXBJRC-RWMBFGLXSA-N 2 2 253.390 0.688 20 0 CCADLP CC(C)CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577219 186179911 /nfs/dbraw/zinc/17/99/11/186179911.db2.gz IYWUSKQLAXBJRC-RWMBFGLXSA-N 2 2 253.390 0.688 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109792828 186272792 /nfs/dbraw/zinc/27/27/92/186272792.db2.gz USAOFQYLZGKOQF-SNVBAGLBSA-N 2 2 279.344 0.364 20 0 CCADLP CCS(=O)(=O)CCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000158127161 350654396 /nfs/dbraw/zinc/65/43/96/350654396.db2.gz GOYJSOURBQORDS-VXGBXAGGSA-N 2 2 262.419 0.884 20 0 CCADLP CCS(=O)(=O)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000158127161 350654399 /nfs/dbraw/zinc/65/43/99/350654399.db2.gz GOYJSOURBQORDS-VXGBXAGGSA-N 2 2 262.419 0.884 20 0 CCADLP Cc1cc(NC(=O)C[NH+]2CCC([C@@H](C)[NH3+])CC2)no1 ZINC000110650346 186311010 /nfs/dbraw/zinc/31/10/10/186311010.db2.gz AXTYXSBZFGXGHD-SNVBAGLBSA-N 2 2 266.345 0.981 20 0 CCADLP C[C@H]([NH3+])C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000168171222 350822137 /nfs/dbraw/zinc/82/21/37/350822137.db2.gz XARDTYNSBLORDQ-RYUDHWBXSA-N 2 2 297.424 0.927 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000165045465 350786876 /nfs/dbraw/zinc/78/68/76/350786876.db2.gz YZUQOKIGMKBUDV-KBPBESRZSA-N 2 2 297.443 0.849 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2nnnn2-c2ccccc2)C1 ZINC000168644627 350829914 /nfs/dbraw/zinc/82/99/14/350829914.db2.gz MLVUGLKRONFLEV-RYUDHWBXSA-N 2 2 272.356 0.831 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2nnnn2-c2ccccc2)C1 ZINC000168644627 350829916 /nfs/dbraw/zinc/82/99/16/350829916.db2.gz MLVUGLKRONFLEV-RYUDHWBXSA-N 2 2 272.356 0.831 20 0 CCADLP Cc1ccc(NCCCNC(=O)[C@@H]2CSC[NH2+]2)[nH+]c1 ZINC000168949012 350833193 /nfs/dbraw/zinc/83/31/93/350833193.db2.gz AKTAHQNVYWEEIR-NSHDSACASA-N 2 2 280.397 0.971 20 0 CCADLP Cc1cc(NC(=O)[C@@H](C)N2CC[NH+](C)CC2)cc[nH+]1 ZINC000171239508 350896035 /nfs/dbraw/zinc/89/60/35/350896035.db2.gz HIYXFHRBBZOABE-GFCCVEGCSA-N 2 2 262.357 0.964 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)C[C@@H](C)C(=O)OC)CC1 ZINC000172254137 350970479 /nfs/dbraw/zinc/97/04/79/350970479.db2.gz MFPMXRFBBIVVHJ-OLZOCXBDSA-N 2 2 299.415 0.280 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@@H](C)C(=O)OC)CC1 ZINC000172254137 350970482 /nfs/dbraw/zinc/97/04/82/350970482.db2.gz MFPMXRFBBIVVHJ-OLZOCXBDSA-N 2 2 299.415 0.280 20 0 CCADLP CC[C@H](O)C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000172761529 351008277 /nfs/dbraw/zinc/00/82/77/351008277.db2.gz CQTPZDHROXYMCG-LBPRGKRZSA-N 2 2 250.346 0.678 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)NC(=O)NC)C1 ZINC000174219341 351075482 /nfs/dbraw/zinc/07/54/82/351075482.db2.gz DOBOWUVFUSKGRV-NSHDSACASA-N 2 2 270.377 0.106 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC)C1 ZINC000174219341 351075485 /nfs/dbraw/zinc/07/54/85/351075485.db2.gz DOBOWUVFUSKGRV-NSHDSACASA-N 2 2 270.377 0.106 20 0 CCADLP COCCOCC[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000175641961 351137886 /nfs/dbraw/zinc/13/78/86/351137886.db2.gz AAQKUJTZERUYTR-UHFFFAOYSA-N 2 2 295.383 0.875 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CCO1 ZINC000178744260 351243913 /nfs/dbraw/zinc/24/39/13/351243913.db2.gz DZZSUVPYUGMLQE-OLZOCXBDSA-N 2 2 283.416 0.731 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CCO1 ZINC000178744260 351243915 /nfs/dbraw/zinc/24/39/15/351243915.db2.gz DZZSUVPYUGMLQE-OLZOCXBDSA-N 2 2 283.416 0.731 20 0 CCADLP c1cn(CCN2CC[NH+](C[C@H]3CCOC3)CC2)c[nH+]1 ZINC000179253338 351261897 /nfs/dbraw/zinc/26/18/97/351261897.db2.gz YAFNPFJPXLANKA-CQSZACIVSA-N 2 2 264.373 0.537 20 0 CCADLP c1cn(CCN2CC[NH+](CC3CCOCC3)CC2)c[nH+]1 ZINC000179248951 351261958 /nfs/dbraw/zinc/26/19/58/351261958.db2.gz VPCATLJGFDWKCA-UHFFFAOYSA-N 2 2 278.400 0.927 20 0 CCADLP O=C1NCC[C@H]1[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000178309199 351227227 /nfs/dbraw/zinc/22/72/27/351227227.db2.gz BSCVSACIQJHUAU-QWHCGFSZSA-N 2 2 251.374 0.683 20 0 CCADLP O=C1NCC[C@H]1[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000178309199 351227231 /nfs/dbraw/zinc/22/72/31/351227231.db2.gz BSCVSACIQJHUAU-QWHCGFSZSA-N 2 2 251.374 0.683 20 0 CCADLP CC[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(C)C ZINC000181041360 351299980 /nfs/dbraw/zinc/29/99/80/351299980.db2.gz MTTDEEHRXMLTKO-LSDHHAIUSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(C)C ZINC000181041299 351300007 /nfs/dbraw/zinc/30/00/07/351300007.db2.gz MTTDEEHRXMLTKO-CABCVRRESA-N 2 2 297.443 0.944 20 0 CCADLP C[NH+](C)CCCCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000603286675 363046086 /nfs/dbraw/zinc/04/60/86/363046086.db2.gz YQXKQADVZAPVJG-UHFFFAOYSA-N 2 2 288.355 0.734 20 0 CCADLP CCOC(=O)c1nn(C)cc1C[NH2+]C1CC[NH+](C)CC1 ZINC000186298203 351490076 /nfs/dbraw/zinc/49/00/76/351490076.db2.gz HLSGHJRYXNNLTD-UHFFFAOYSA-N 2 2 280.372 0.781 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH+]2CCN(C(=O)C[NH+](C)C)CC2)O1 ZINC000190376726 351721091 /nfs/dbraw/zinc/72/10/91/351721091.db2.gz VWBPSADQJIJUHW-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccnn1C ZINC000192722015 351795927 /nfs/dbraw/zinc/79/59/27/351795927.db2.gz UAKLJRFDNMGFBY-LBPRGKRZSA-N 2 2 266.389 0.918 20 0 CCADLP C[C@H]1COCCN1CC[NH+]1CCC([NH+](C)C)CC1 ZINC000191436303 351758170 /nfs/dbraw/zinc/75/81/70/351758170.db2.gz HKPSCFUPZUDPQU-ZDUSSCGKSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](CC3CC3)CC2)CCO1 ZINC000191455348 351758697 /nfs/dbraw/zinc/75/86/97/351758697.db2.gz OASAVNRNCDFFKH-CQSZACIVSA-N 2 2 267.417 0.735 20 0 CCADLP CC[N@H+](C)C[C@H]1CCN(CC[NH+]2CCOC[C@@H]2C)C1 ZINC000191531159 351763589 /nfs/dbraw/zinc/76/35/89/351763589.db2.gz AIRSJXLVRVKVAB-LSDHHAIUSA-N 2 2 269.433 0.981 20 0 CCADLP CC[N@@H+](C)C[C@H]1CCN(CC[NH+]2CCOC[C@@H]2C)C1 ZINC000191531159 351763592 /nfs/dbraw/zinc/76/35/92/351763592.db2.gz AIRSJXLVRVKVAB-LSDHHAIUSA-N 2 2 269.433 0.981 20 0 CCADLP CC[NH+](C)C[C@H]1CCN(CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000191531159 351763595 /nfs/dbraw/zinc/76/35/95/351763595.db2.gz AIRSJXLVRVKVAB-LSDHHAIUSA-N 2 2 269.433 0.981 20 0 CCADLP CC[NH+](C)C[C@H]1CCN(CC[N@H+]2CCOC[C@@H]2C)C1 ZINC000191531159 351763600 /nfs/dbraw/zinc/76/36/00/351763600.db2.gz AIRSJXLVRVKVAB-LSDHHAIUSA-N 2 2 269.433 0.981 20 0 CCADLP C[C@H]1CN(CC[N@H+](C)CCCn2cc[nH+]c2)CCO1 ZINC000191601812 351765225 /nfs/dbraw/zinc/76/52/25/351765225.db2.gz MKVDNXNNPDPXOV-AWEZNQCLSA-N 2 2 266.389 0.926 20 0 CCADLP C[C@H]1CN(CC[N@@H+](C)CCCn2cc[nH+]c2)CCO1 ZINC000191601812 351765228 /nfs/dbraw/zinc/76/52/28/351765228.db2.gz MKVDNXNNPDPXOV-AWEZNQCLSA-N 2 2 266.389 0.926 20 0 CCADLP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3nnn(C)n3)C2)[nH+]1 ZINC000192984711 351806512 /nfs/dbraw/zinc/80/65/12/351806512.db2.gz WLAJCHBYAOYLDO-GFCCVEGCSA-N 2 2 287.371 0.848 20 0 CCADLP Cc1cccc(NC[C@H]2CC[N@H+](Cc3nnn(C)n3)C2)[nH+]1 ZINC000192984711 351806514 /nfs/dbraw/zinc/80/65/14/351806514.db2.gz WLAJCHBYAOYLDO-GFCCVEGCSA-N 2 2 287.371 0.848 20 0 CCADLP C[N@H+](CCC(F)(F)F)CC(=O)N1CC[NH+](C)CC1 ZINC000339864983 215372173 /nfs/dbraw/zinc/37/21/73/215372173.db2.gz GSSJXFXBVNZFOX-UHFFFAOYSA-N 2 2 267.295 0.645 20 0 CCADLP C[N@@H+](CCC(F)(F)F)CC(=O)N1CC[NH+](C)CC1 ZINC000339864983 215372175 /nfs/dbraw/zinc/37/21/75/215372175.db2.gz GSSJXFXBVNZFOX-UHFFFAOYSA-N 2 2 267.295 0.645 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227073833 352038282 /nfs/dbraw/zinc/03/82/82/352038282.db2.gz GUEUMGWJWUPGGI-QWRGUYRKSA-N 2 2 270.377 0.281 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227073833 352038288 /nfs/dbraw/zinc/03/82/88/352038288.db2.gz GUEUMGWJWUPGGI-QWRGUYRKSA-N 2 2 270.377 0.281 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1)C(C)C ZINC000227212810 352040612 /nfs/dbraw/zinc/04/06/12/352040612.db2.gz KTZJUMPRWCABIC-MPKXVKKWSA-N 2 2 269.389 0.385 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1)C(C)C ZINC000227212810 352040615 /nfs/dbraw/zinc/04/06/15/352040615.db2.gz KTZJUMPRWCABIC-MPKXVKKWSA-N 2 2 269.389 0.385 20 0 CCADLP C[NH+]1CCN(C(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000228882797 352085338 /nfs/dbraw/zinc/08/53/38/352085338.db2.gz NBINSOUKDJOQOR-SLEUVZQESA-N 2 2 281.400 0.293 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](O)C(F)(F)F)n1C ZINC000234288630 352156393 /nfs/dbraw/zinc/15/63/93/352156393.db2.gz WGKNVROAUUDONI-MRVPVSSYSA-N 2 2 266.267 0.499 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000232118298 352141084 /nfs/dbraw/zinc/14/10/84/352141084.db2.gz HZARFTXUVNWQFV-GFCCVEGCSA-N 2 2 290.367 0.825 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@H]1CCCC[NH2+]1)[NH+]1CCOCC1 ZINC000236667253 352203225 /nfs/dbraw/zinc/20/32/25/352203225.db2.gz KVVGDKITAPHICQ-KGLIPLIRSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@](C[NH3+])(NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000655416101 412562790 /nfs/dbraw/zinc/56/27/90/412562790.db2.gz WMQGRRYZNUPWQQ-IINYFYTJSA-N 2 2 262.357 0.689 20 0 CCADLP CCc1nc(C)c(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)o1 ZINC000603431343 363130335 /nfs/dbraw/zinc/13/03/35/363130335.db2.gz WFDFYLZKUBCJHX-QWRGUYRKSA-N 2 2 278.356 0.289 20 0 CCADLP CCc1nc(C)c(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)o1 ZINC000603431343 363130341 /nfs/dbraw/zinc/13/03/41/363130341.db2.gz WFDFYLZKUBCJHX-QWRGUYRKSA-N 2 2 278.356 0.289 20 0 CCADLP COC(=O)CCNC(=O)C[N@@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000603435301 363132191 /nfs/dbraw/zinc/13/21/91/363132191.db2.gz XPLJOKYJFWCYAQ-SRVKXCTJSA-N 2 2 285.388 0.113 20 0 CCADLP COC(=O)CCNC(=O)C[N@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000603435301 363132193 /nfs/dbraw/zinc/13/21/93/363132193.db2.gz XPLJOKYJFWCYAQ-SRVKXCTJSA-N 2 2 285.388 0.113 20 0 CCADLP CC[C@H]([NH3+])C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000236943481 352230138 /nfs/dbraw/zinc/23/01/38/352230138.db2.gz BDEGRNXQGIMKIZ-LSDHHAIUSA-N 2 2 291.395 0.913 20 0 CCADLP CSCC[C@@H]([NH3+])C(=O)NCc1ccc[nH+]c1N(C)C ZINC000237277156 352257367 /nfs/dbraw/zinc/25/73/67/352257367.db2.gz VXZZKHLGRIAPGZ-LLVKDONJSA-N 2 2 282.413 0.844 20 0 CCADLP COCC[NH+]1CCC([NH2+]Cc2c[nH]nc2C)CC1 ZINC000237105805 352243423 /nfs/dbraw/zinc/24/34/23/352243423.db2.gz OBQLBBWMIHLUNC-UHFFFAOYSA-N 2 2 252.362 0.919 20 0 CCADLP C[NH+](C)C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000603554420 363145474 /nfs/dbraw/zinc/14/54/74/363145474.db2.gz CIRQHLBAJMERHY-LBPRGKRZSA-N 2 2 250.346 0.683 20 0 CCADLP Nc1ccc(NC(=O)C[NH2+]C[C@@H]2CCCO2)c[nH+]1 ZINC000238140633 352300079 /nfs/dbraw/zinc/30/00/79/352300079.db2.gz APBNDVRJAXPORI-JTQLQIEISA-N 2 2 250.302 0.371 20 0 CCADLP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000655416346 412563736 /nfs/dbraw/zinc/56/37/36/412563736.db2.gz QEKWWODLOIBFRR-NWDGAFQWSA-N 2 2 262.357 0.656 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NCC(=O)OC)C1 ZINC000245466432 352324478 /nfs/dbraw/zinc/32/44/78/352324478.db2.gz YYQLVPBEQHWKDR-OLZOCXBDSA-N 2 2 299.415 0.328 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)C(=O)NCC(=O)OC)C1 ZINC000245466432 352324480 /nfs/dbraw/zinc/32/44/80/352324480.db2.gz YYQLVPBEQHWKDR-OLZOCXBDSA-N 2 2 299.415 0.328 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000245530655 352327285 /nfs/dbraw/zinc/32/72/85/352327285.db2.gz GMDXBPDYEBMJRL-LSDHHAIUSA-N 3 2 296.459 0.423 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000245530655 352327287 /nfs/dbraw/zinc/32/72/87/352327287.db2.gz GMDXBPDYEBMJRL-LSDHHAIUSA-N 3 2 296.459 0.423 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000245530655 352327288 /nfs/dbraw/zinc/32/72/88/352327288.db2.gz GMDXBPDYEBMJRL-LSDHHAIUSA-N 3 2 296.459 0.423 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000245530655 352327289 /nfs/dbraw/zinc/32/72/89/352327289.db2.gz GMDXBPDYEBMJRL-LSDHHAIUSA-N 3 2 296.459 0.423 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246675840 352378736 /nfs/dbraw/zinc/37/87/36/352378736.db2.gz JRPUJPFDUYFYSH-STQMWFEESA-N 2 2 299.415 0.422 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246675840 352378739 /nfs/dbraw/zinc/37/87/39/352378739.db2.gz JRPUJPFDUYFYSH-STQMWFEESA-N 2 2 299.415 0.422 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246675840 352378742 /nfs/dbraw/zinc/37/87/42/352378742.db2.gz JRPUJPFDUYFYSH-STQMWFEESA-N 2 2 299.415 0.422 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246675840 352378747 /nfs/dbraw/zinc/37/87/47/352378747.db2.gz JRPUJPFDUYFYSH-STQMWFEESA-N 2 2 299.415 0.422 20 0 CCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000655417620 412564478 /nfs/dbraw/zinc/56/44/78/412564478.db2.gz MZRUJHCSANVVFO-XQQFMLRXSA-N 2 2 274.368 0.798 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000250390070 352505327 /nfs/dbraw/zinc/50/53/27/352505327.db2.gz HJUKWEOQPYEDCR-ZJUUUORDSA-N 2 2 256.350 0.034 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000250390070 352505330 /nfs/dbraw/zinc/50/53/30/352505330.db2.gz HJUKWEOQPYEDCR-ZJUUUORDSA-N 2 2 256.350 0.034 20 0 CCADLP COC(=O)c1cc(CN2CC[N@H+](C)C[C@H]2C[NH3+])oc1C ZINC000250944235 352508922 /nfs/dbraw/zinc/50/89/22/352508922.db2.gz FPQOGDSPRJIRPM-LLVKDONJSA-N 2 2 281.356 0.449 20 0 CCADLP COC(=O)c1cc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])oc1C ZINC000250944235 352508925 /nfs/dbraw/zinc/50/89/25/352508925.db2.gz FPQOGDSPRJIRPM-LLVKDONJSA-N 2 2 281.356 0.449 20 0 CCADLP C[C@H](C(=O)NC1CCCCC1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453692 352515135 /nfs/dbraw/zinc/51/51/35/352515135.db2.gz RPBHPHPZHQWEHB-AGIUHOORSA-N 2 2 265.401 0.975 20 0 CCADLP COCCN1CCC[N@H+](C[C@H]2CCC[NH2+]C2)CC1=O ZINC000261915735 352565665 /nfs/dbraw/zinc/56/56/65/352565665.db2.gz JWTXJONTKDOTDR-ZDUSSCGKSA-N 2 2 269.389 0.167 20 0 CCADLP COCCN1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)CC1=O ZINC000261915735 352565668 /nfs/dbraw/zinc/56/56/68/352565668.db2.gz JWTXJONTKDOTDR-ZDUSSCGKSA-N 2 2 269.389 0.167 20 0 CCADLP COCC[N@@H+](Cc1ccnn1C)C[C@H]1CCC[NH2+]C1 ZINC000262000773 352569356 /nfs/dbraw/zinc/56/93/56/352569356.db2.gz UAQHJMAGJDIRSW-ZDUSSCGKSA-N 2 2 266.389 0.868 20 0 CCADLP COCC[N@H+](Cc1ccnn1C)C[C@H]1CCC[NH2+]C1 ZINC000262000773 352569359 /nfs/dbraw/zinc/56/93/59/352569359.db2.gz UAQHJMAGJDIRSW-ZDUSSCGKSA-N 2 2 266.389 0.868 20 0 CCADLP Cc1cnn(C[C@H]2C[N@H+](C[C@@]3(C)CC[NH2+]C3)CCO2)c1 ZINC000262060466 352574245 /nfs/dbraw/zinc/57/42/45/352574245.db2.gz RBOIYIYMLAVKMT-CABCVRRESA-N 2 2 278.400 0.892 20 0 CCADLP Cc1cnn(C[C@H]2C[N@@H+](C[C@@]3(C)CC[NH2+]C3)CCO2)c1 ZINC000262060466 352574247 /nfs/dbraw/zinc/57/42/47/352574247.db2.gz RBOIYIYMLAVKMT-CABCVRRESA-N 2 2 278.400 0.892 20 0 CCADLP CN(C)c1nccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)n1 ZINC000262112375 352578409 /nfs/dbraw/zinc/57/84/09/352578409.db2.gz WNWQICYPVBXXRU-AWEZNQCLSA-N 2 2 261.373 0.728 20 0 CCADLP CN(C)c1nccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)n1 ZINC000262112375 352578410 /nfs/dbraw/zinc/57/84/10/352578410.db2.gz WNWQICYPVBXXRU-AWEZNQCLSA-N 2 2 261.373 0.728 20 0 CCADLP C[C@H](CC[NH3+])NC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000418520775 234152223 /nfs/dbraw/zinc/15/22/23/234152223.db2.gz HRAPUYYTACRCDE-GFCCVEGCSA-N 2 2 280.372 0.844 20 0 CCADLP O=C1CNC(=O)N1CCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266715600 352716725 /nfs/dbraw/zinc/71/67/25/352716725.db2.gz GEMODXDAKMLRNS-UHFFFAOYSA-N 2 2 291.355 0.531 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)NCCn2cc[nH+]c2)n1C ZINC000267562284 352774627 /nfs/dbraw/zinc/77/46/27/352774627.db2.gz KKNXPPRAVKUPHA-UHFFFAOYSA-N 2 2 291.359 0.182 20 0 CCADLP C[C@@H]1CC[N@H+](Cc2nc(=O)[nH][nH]2)C[C@H]1n1cc[nH+]c1 ZINC000271627305 191248004 /nfs/dbraw/zinc/24/80/04/191248004.db2.gz OINQPABYXODBLX-NXEZZACHSA-N 2 2 262.317 0.378 20 0 CCADLP C[C@@H]1CC[N@@H+](Cc2nc(=O)[nH][nH]2)C[C@H]1n1cc[nH+]c1 ZINC000271627305 191248007 /nfs/dbraw/zinc/24/80/07/191248007.db2.gz OINQPABYXODBLX-NXEZZACHSA-N 2 2 262.317 0.378 20 0 CCADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000418620229 234191556 /nfs/dbraw/zinc/19/15/56/234191556.db2.gz QANSSWINHPKHAF-LBPRGKRZSA-N 2 2 277.372 0.569 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000418712558 234212713 /nfs/dbraw/zinc/21/27/13/234212713.db2.gz XKQPPJDLXVFQNB-AGIUHOORSA-N 2 2 284.404 0.228 20 0 CCADLP CN(C)c1ccc(CNC(=O)C2CC[NH2+]CC2)c[nH+]1 ZINC000272270173 353048415 /nfs/dbraw/zinc/04/84/15/353048415.db2.gz BDQIIBCDPFWYEE-UHFFFAOYSA-N 2 2 262.357 0.763 20 0 CCADLP CC[N@@H+]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000277460404 353244341 /nfs/dbraw/zinc/24/43/41/353244341.db2.gz 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CC(C)[C@H](C)CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000557167160 291024377 /nfs/dbraw/zinc/02/43/77/291024377.db2.gz JTGDACQHWFIRRT-NEPJUHHUSA-N 2 2 256.394 0.563 20 0 CCADLP CC(C)[C@H](C)CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000557167160 291024379 /nfs/dbraw/zinc/02/43/79/291024379.db2.gz JTGDACQHWFIRRT-NEPJUHHUSA-N 2 2 256.394 0.563 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655483961 412589036 /nfs/dbraw/zinc/58/90/36/412589036.db2.gz OLPVOVRMQQHKIJ-AXFHLTTASA-N 2 2 250.346 0.688 20 0 CCADLP Cc1cc[nH+]cc1N1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000330475484 354373476 /nfs/dbraw/zinc/37/34/76/354373476.db2.gz JKRKCGLZLAAQOM-UHFFFAOYSA-N 2 2 291.355 0.511 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2CCC[NH+]2C)C[C@@H]1C ZINC000331339206 354542078 /nfs/dbraw/zinc/54/20/78/354542078.db2.gz RQQPMFKOIZVJGV-QWHCGFSZSA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2CCC[NH+]2C)C[C@@H]1C ZINC000331339206 354542082 /nfs/dbraw/zinc/54/20/82/354542082.db2.gz RQQPMFKOIZVJGV-QWHCGFSZSA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1C ZINC000331339206 354542087 /nfs/dbraw/zinc/54/20/87/354542087.db2.gz RQQPMFKOIZVJGV-QWHCGFSZSA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1C ZINC000331339206 354542090 /nfs/dbraw/zinc/54/20/90/354542090.db2.gz RQQPMFKOIZVJGV-QWHCGFSZSA-N 2 2 297.399 0.176 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000331541646 354602050 /nfs/dbraw/zinc/60/20/50/354602050.db2.gz FCQHWXPPIBSZSQ-BXUZGUMPSA-N 2 2 282.388 0.296 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000331541646 354602053 /nfs/dbraw/zinc/60/20/53/354602053.db2.gz FCQHWXPPIBSZSQ-BXUZGUMPSA-N 2 2 282.388 0.296 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCC[NH2+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488906 412592972 /nfs/dbraw/zinc/59/29/72/412592972.db2.gz IOGUCATXDLAXGN-FVCCEPFGSA-N 2 2 269.389 0.352 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCC[NH2+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488906 412592975 /nfs/dbraw/zinc/59/29/75/412592975.db2.gz IOGUCATXDLAXGN-FVCCEPFGSA-N 2 2 269.389 0.352 20 0 CCADLP COCC[N@@H+]1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000331531264 354599722 /nfs/dbraw/zinc/59/97/22/354599722.db2.gz SJIDNEBQDRVIGW-UHFFFAOYSA-N 2 2 280.372 0.523 20 0 CCADLP COCC[N@H+]1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000331531264 354599723 /nfs/dbraw/zinc/59/97/23/354599723.db2.gz SJIDNEBQDRVIGW-UHFFFAOYSA-N 2 2 280.372 0.523 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCn1cc[nH+]c1 ZINC000332357707 354653018 /nfs/dbraw/zinc/65/30/18/354653018.db2.gz WGDPWEFQEATARH-TXEJJXNPSA-N 2 2 250.346 0.872 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCn1cc[nH+]c1 ZINC000332357707 354653024 /nfs/dbraw/zinc/65/30/24/354653024.db2.gz WGDPWEFQEATARH-TXEJJXNPSA-N 2 2 250.346 0.872 20 0 CCADLP C[C@H](CNC(=O)C[NH2+]CC1CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488941 412593291 /nfs/dbraw/zinc/59/32/91/412593291.db2.gz JJRKBVKEDPBFMI-UPJWGTAASA-N 2 2 283.416 0.600 20 0 CCADLP C[C@H](CNC(=O)C[NH2+]CC1CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488941 412593293 /nfs/dbraw/zinc/59/32/93/412593293.db2.gz JJRKBVKEDPBFMI-UPJWGTAASA-N 2 2 283.416 0.600 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000333628304 354766696 /nfs/dbraw/zinc/76/66/96/354766696.db2.gz SKDMCHMOAXBQLZ-ZFWWWQNUSA-N 2 2 296.415 0.102 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000333628304 354766697 /nfs/dbraw/zinc/76/66/97/354766697.db2.gz SKDMCHMOAXBQLZ-ZFWWWQNUSA-N 2 2 296.415 0.102 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000333653726 354770416 /nfs/dbraw/zinc/77/04/16/354770416.db2.gz WFBUAVIGNAVZDP-QWHCGFSZSA-N 2 2 284.404 0.134 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000333653726 354770418 /nfs/dbraw/zinc/77/04/18/354770418.db2.gz WFBUAVIGNAVZDP-QWHCGFSZSA-N 2 2 284.404 0.134 20 0 CCADLP [NH3+]C[C@H](NC(=O)N1CCn2c[nH+]cc2C1)C1CCCC1 ZINC000333881323 354810137 /nfs/dbraw/zinc/81/01/37/354810137.db2.gz WHIJSSWYZBMHPA-ZDUSSCGKSA-N 2 2 277.372 0.926 20 0 CCADLP C[C@H](NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)[C@H](C)[NH+]1CCOCC1 ZINC000366667844 299221765 /nfs/dbraw/zinc/22/17/65/299221765.db2.gz GAVHRWJSHQFMLL-TTZDDIAXSA-N 2 2 295.427 0.602 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000334058456 354846514 /nfs/dbraw/zinc/84/65/14/354846514.db2.gz XFXZNFJWLONESO-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH+]1CC[C@H](NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000334058456 354846516 /nfs/dbraw/zinc/84/65/16/354846516.db2.gz XFXZNFJWLONESO-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH+]1CC[C@H](NC(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000334058456 354846519 /nfs/dbraw/zinc/84/65/19/354846519.db2.gz XFXZNFJWLONESO-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC000557733735 291043780 /nfs/dbraw/zinc/04/37/80/291043780.db2.gz LJYMMFGDXOYQPI-LBPRGKRZSA-N 2 2 264.373 0.953 20 0 CCADLP CCC[N@H+]1CCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC000557733735 291043782 /nfs/dbraw/zinc/04/37/82/291043782.db2.gz LJYMMFGDXOYQPI-LBPRGKRZSA-N 2 2 264.373 0.953 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000334604463 354909314 /nfs/dbraw/zinc/90/93/14/354909314.db2.gz PMQIZEAEPPABLM-WDEREUQCSA-N 2 2 251.334 0.275 20 0 CCADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NCCOCC)C1 ZINC000175987772 283065141 /nfs/dbraw/zinc/06/51/41/283065141.db2.gz ZZFUQLFCFZMGFQ-CQSZACIVSA-N 2 2 285.432 0.803 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NCCOCC)C1 ZINC000175987772 283065142 /nfs/dbraw/zinc/06/51/42/283065142.db2.gz ZZFUQLFCFZMGFQ-CQSZACIVSA-N 2 2 285.432 0.803 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCCOCC)C1 ZINC000175987772 283065143 /nfs/dbraw/zinc/06/51/43/283065143.db2.gz ZZFUQLFCFZMGFQ-CQSZACIVSA-N 2 2 285.432 0.803 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCCOCC)C1 ZINC000175987772 283065144 /nfs/dbraw/zinc/06/51/44/283065144.db2.gz ZZFUQLFCFZMGFQ-CQSZACIVSA-N 2 2 285.432 0.803 20 0 CCADLP [NH3+][C@@H](C(=O)N[C@@H]1CCC[NH2+]C1)c1c(F)cccc1F ZINC000335134538 354970726 /nfs/dbraw/zinc/97/07/26/354970726.db2.gz NMNLORAROGWOBF-PRHODGIISA-N 2 2 269.295 0.833 20 0 CCADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000423799567 235084846 /nfs/dbraw/zinc/08/48/46/235084846.db2.gz KOXLTPMVGIMION-DYEKYZERSA-N 2 2 290.367 0.153 20 0 CCADLP C[C@]1(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CCCC[NH2+]1 ZINC000423766660 235068843 /nfs/dbraw/zinc/06/88/43/235068843.db2.gz YDBDIDYBOKPBJN-DZGCQCFKSA-N 2 2 281.400 0.498 20 0 CCADLP C[C@]1(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CCCC[NH2+]1 ZINC000423766660 235068846 /nfs/dbraw/zinc/06/88/46/235068846.db2.gz YDBDIDYBOKPBJN-DZGCQCFKSA-N 2 2 281.400 0.498 20 0 CCADLP COC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000423824504 235092190 /nfs/dbraw/zinc/09/21/90/235092190.db2.gz VZWUUKAKUZWDGB-DGCLKSJQSA-N 2 2 297.424 0.927 20 0 CCADLP CC(C)[C@@H](O)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000336791213 355163894 /nfs/dbraw/zinc/16/38/94/355163894.db2.gz ZSZOWCPUPIGSRM-LBPRGKRZSA-N 2 2 252.362 0.544 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H](C)C1 ZINC000336630039 355127878 /nfs/dbraw/zinc/12/78/78/355127878.db2.gz XZPWIFOMYPORDC-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H](C)C1 ZINC000336630039 355127881 /nfs/dbraw/zinc/12/78/81/355127881.db2.gz XZPWIFOMYPORDC-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC000336691620 355137669 /nfs/dbraw/zinc/13/76/69/355137669.db2.gz BCSZDRMQIHHPGO-OLZOCXBDSA-N 2 2 253.390 0.929 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC000336691620 355137672 /nfs/dbraw/zinc/13/76/72/355137672.db2.gz BCSZDRMQIHHPGO-OLZOCXBDSA-N 2 2 253.390 0.929 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ncc(C)cn3)C2)CC1 ZINC000336834234 355207356 /nfs/dbraw/zinc/20/73/56/355207356.db2.gz FRCBJLSGHVINLJ-OAHLLOKOSA-N 2 2 289.427 0.997 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ncc(C)cn3)C2)CC1 ZINC000336834234 355207357 /nfs/dbraw/zinc/20/73/57/355207357.db2.gz FRCBJLSGHVINLJ-OAHLLOKOSA-N 2 2 289.427 0.997 20 0 CCADLP COCCO[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336837993 355209205 /nfs/dbraw/zinc/20/92/05/355209205.db2.gz MIUCOEJMWMVZDL-GJZGRUSLSA-N 2 2 286.416 0.569 20 0 CCADLP COCCO[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336837993 355209208 /nfs/dbraw/zinc/20/92/08/355209208.db2.gz MIUCOEJMWMVZDL-GJZGRUSLSA-N 2 2 286.416 0.569 20 0 CCADLP COCCO[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000336837993 355209210 /nfs/dbraw/zinc/20/92/10/355209210.db2.gz MIUCOEJMWMVZDL-GJZGRUSLSA-N 2 2 286.416 0.569 20 0 CCADLP COCCO[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336837993 355209212 /nfs/dbraw/zinc/20/92/12/355209212.db2.gz MIUCOEJMWMVZDL-GJZGRUSLSA-N 2 2 286.416 0.569 20 0 CCADLP C[N@@H+]1CCC[C@@H]2CN(CC[NH+]3CCOCC3)CC[C@H]21 ZINC000336799361 355173041 /nfs/dbraw/zinc/17/30/41/355173041.db2.gz IINHVXODGNWUOS-HUUCEWRRSA-N 2 2 267.417 0.735 20 0 CCADLP C[N@H+]1CCC[C@@H]2CN(CC[NH+]3CCOCC3)CC[C@H]21 ZINC000336799361 355173044 /nfs/dbraw/zinc/17/30/44/355173044.db2.gz IINHVXODGNWUOS-HUUCEWRRSA-N 2 2 267.417 0.735 20 0 CCADLP CN1CC[C@@H]([N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1=O ZINC000336800417 355174027 /nfs/dbraw/zinc/17/40/27/355174027.db2.gz MARFBGVCGXGIJT-CHWSQXEVSA-N 2 2 261.325 0.765 20 0 CCADLP CN1CC[C@@H]([N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1=O ZINC000336800417 355174031 /nfs/dbraw/zinc/17/40/31/355174031.db2.gz MARFBGVCGXGIJT-CHWSQXEVSA-N 2 2 261.325 0.765 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000336801838 355177151 /nfs/dbraw/zinc/17/71/51/355177151.db2.gz RMDOBOHPXHERBE-OAHLLOKOSA-N 2 2 267.417 0.879 20 0 CCADLP CS[C@H]1CN(CCC[NH+]2CCOCC2)C[C@@H]1[NH+](C)C ZINC000336803797 355179179 /nfs/dbraw/zinc/17/91/79/355179179.db2.gz ZUWGWUKRYPDUGE-KBPBESRZSA-N 2 2 287.473 0.686 20 0 CCADLP C[N@H+](CCC[NH+]1CCCC1)CC(=O)NC1CCOCC1 ZINC000337242161 355288931 /nfs/dbraw/zinc/28/89/31/355288931.db2.gz HDXFPKIWGJJDCS-UHFFFAOYSA-N 2 2 283.416 0.699 20 0 CCADLP C[N@@H+](CCC[NH+]1CCCC1)CC(=O)NC1CCOCC1 ZINC000337242161 355288935 /nfs/dbraw/zinc/28/89/35/355288935.db2.gz HDXFPKIWGJJDCS-UHFFFAOYSA-N 2 2 283.416 0.699 20 0 CCADLP COc1ccc(C[N@H+](C)C2CC[NH+](CCO)CC2)nc1 ZINC000338302410 355314936 /nfs/dbraw/zinc/31/49/36/355314936.db2.gz CBVNRBOKXJMOLE-UHFFFAOYSA-N 2 2 279.384 0.979 20 0 CCADLP COc1ccc(C[N@@H+](C)C2CC[NH+](CCO)CC2)nc1 ZINC000338302410 355314939 /nfs/dbraw/zinc/31/49/39/355314939.db2.gz CBVNRBOKXJMOLE-UHFFFAOYSA-N 2 2 279.384 0.979 20 0 CCADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCN(C2CC2)C1 ZINC000338311574 355318257 /nfs/dbraw/zinc/31/82/57/355318257.db2.gz FNUJRFQWFHWTSF-HNNXBMFYSA-N 2 2 294.443 0.319 20 0 CCADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCN(C2CC2)C1 ZINC000338311574 355318260 /nfs/dbraw/zinc/31/82/60/355318260.db2.gz FNUJRFQWFHWTSF-HNNXBMFYSA-N 2 2 294.443 0.319 20 0 CCADLP CN(CCC(=O)N1CC[NH+](C)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000338311574 355318263 /nfs/dbraw/zinc/31/82/63/355318263.db2.gz FNUJRFQWFHWTSF-HNNXBMFYSA-N 2 2 294.443 0.319 20 0 CCADLP CN(CCC(=O)N1CC[NH+](C)CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000338311574 355318267 /nfs/dbraw/zinc/31/82/67/355318267.db2.gz FNUJRFQWFHWTSF-HNNXBMFYSA-N 2 2 294.443 0.319 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000338839774 355434776 /nfs/dbraw/zinc/43/47/76/355434776.db2.gz BJBCBIXKXUOCCA-CYBMUJFWSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000338839774 355434779 /nfs/dbraw/zinc/43/47/79/355434779.db2.gz BJBCBIXKXUOCCA-CYBMUJFWSA-N 2 2 295.427 0.698 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000339064917 355479949 /nfs/dbraw/zinc/47/99/49/355479949.db2.gz AABMRYBKVKSJMO-BETUJISGSA-N 2 2 291.461 0.682 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000339064917 355479954 /nfs/dbraw/zinc/47/99/54/355479954.db2.gz AABMRYBKVKSJMO-BETUJISGSA-N 2 2 291.461 0.682 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N=c1ccn(CC[NH+](C)C)[nH]1 ZINC000339091206 355485417 /nfs/dbraw/zinc/48/54/17/355485417.db2.gz JNZPPBFCYQSCTO-UHFFFAOYSA-N 2 2 290.371 0.171 20 0 CCADLP COCC[NH+]1CCC([NH2+]Cc2cnc(N(C)C)n2C)CC1 ZINC000425339566 235287268 /nfs/dbraw/zinc/28/72/68/235287268.db2.gz CRBIOQXJIKHONY-UHFFFAOYSA-N 2 2 295.431 0.687 20 0 CCADLP COC[C@H]1CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425339515 235287287 /nfs/dbraw/zinc/28/72/87/235287287.db2.gz SNUUJAZMJRBWBV-NSHDSACASA-N 2 2 252.362 0.954 20 0 CCADLP COC[C@H]1CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425339515 235287289 /nfs/dbraw/zinc/28/72/89/235287289.db2.gz SNUUJAZMJRBWBV-NSHDSACASA-N 2 2 252.362 0.954 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CC[C@H](C(=O)N(C)C)O2)C1 ZINC000341284375 355645522 /nfs/dbraw/zinc/64/55/22/355645522.db2.gz JFHDSAYWBLMXOL-REWJHTLYSA-N 2 2 283.416 0.552 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CC[C@H](C(=O)N(C)C)O2)C1 ZINC000341284375 355645524 /nfs/dbraw/zinc/64/55/24/355645524.db2.gz JFHDSAYWBLMXOL-REWJHTLYSA-N 2 2 283.416 0.552 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)CCCC[NH+](C)C ZINC000558718470 291070649 /nfs/dbraw/zinc/07/06/49/291070649.db2.gz WAMHHXQEMMIHHH-UHFFFAOYSA-N 2 2 252.362 0.811 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000426490142 235338203 /nfs/dbraw/zinc/33/82/03/235338203.db2.gz ASIHGGRQQZSUDH-UHFFFAOYSA-N 2 2 273.340 0.807 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000426495668 235340043 /nfs/dbraw/zinc/34/00/43/235340043.db2.gz LMNVJLJSTFOEDT-OCCSQVGLSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000426495668 235340045 /nfs/dbraw/zinc/34/00/45/235340045.db2.gz LMNVJLJSTFOEDT-OCCSQVGLSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000426495668 235340048 /nfs/dbraw/zinc/34/00/48/235340048.db2.gz LMNVJLJSTFOEDT-OCCSQVGLSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000426495668 235340051 /nfs/dbraw/zinc/34/00/51/235340051.db2.gz LMNVJLJSTFOEDT-OCCSQVGLSA-N 2 2 281.400 0.450 20 0 CCADLP CCOCC[NH+]1CCN(Cc2[nH+]cc(C)n2C)CC1 ZINC000342792919 355747878 /nfs/dbraw/zinc/74/78/78/355747878.db2.gz QKXJLQMDFADKHZ-UHFFFAOYSA-N 2 2 266.389 0.883 20 0 CCADLP C[C@H](C(=O)NCC[NH+]1CCC1)[NH+]1CCSCC1 ZINC000344714567 355792764 /nfs/dbraw/zinc/79/27/64/355792764.db2.gz FLTXWMUMNAMAAV-LLVKDONJSA-N 2 2 257.403 0.246 20 0 CCADLP NC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428031949 235391149 /nfs/dbraw/zinc/39/11/49/235391149.db2.gz IKWPZIMWZFKKIF-RDBSUJKOSA-N 2 2 259.353 0.897 20 0 CCADLP NC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428031949 235391153 /nfs/dbraw/zinc/39/11/53/235391153.db2.gz IKWPZIMWZFKKIF-RDBSUJKOSA-N 2 2 259.353 0.897 20 0 CCADLP CC[NH+]1CCN(CC(=O)N(C)Cc2[nH]cc[nH+]2)CC1 ZINC000345455520 355830498 /nfs/dbraw/zinc/83/04/98/355830498.db2.gz VJUHONUGZOFKOU-UHFFFAOYSA-N 2 2 265.361 0.006 20 0 CCADLP C[C@H](O)C[N@H+](C)C1CC[NH+](CCc2cnn(C)c2)CC1 ZINC000348278162 355901635 /nfs/dbraw/zinc/90/16/35/355901635.db2.gz UZOIPEHSOKOMLM-ZDUSSCGKSA-N 2 2 280.416 0.740 20 0 CCADLP C[C@H](O)C[N@@H+](C)C1CC[NH+](CCc2cnn(C)c2)CC1 ZINC000348278162 355901638 /nfs/dbraw/zinc/90/16/38/355901638.db2.gz UZOIPEHSOKOMLM-ZDUSSCGKSA-N 2 2 280.416 0.740 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCC[NH+](C)C1CC1 ZINC000352730158 356064722 /nfs/dbraw/zinc/06/47/22/356064722.db2.gz GWWAEGUBKDQLLM-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCC[NH+](C)C1CC1 ZINC000352730158 356064725 /nfs/dbraw/zinc/06/47/25/356064725.db2.gz GWWAEGUBKDQLLM-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)NCC[N@H+](C)C1CC1 ZINC000352730158 356064729 /nfs/dbraw/zinc/06/47/29/356064729.db2.gz GWWAEGUBKDQLLM-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)NCC[N@@H+](C)C1CC1 ZINC000352730158 356064732 /nfs/dbraw/zinc/06/47/32/356064732.db2.gz GWWAEGUBKDQLLM-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP CCc1ccc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cn1 ZINC000352780593 356078012 /nfs/dbraw/zinc/07/80/12/356078012.db2.gz YFQSTYCTUBLTOL-OAHLLOKOSA-N 2 2 262.401 0.979 20 0 CCADLP CCc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cn1 ZINC000352780593 356078016 /nfs/dbraw/zinc/07/80/16/356078016.db2.gz YFQSTYCTUBLTOL-OAHLLOKOSA-N 2 2 262.401 0.979 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000273017976 192019527 /nfs/dbraw/zinc/01/95/27/192019527.db2.gz BVWZEGAKGFIFPV-GFCCVEGCSA-N 2 2 280.372 0.276 20 0 CCADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000353441995 356223126 /nfs/dbraw/zinc/22/31/26/356223126.db2.gz GCJHHZKCKHUKFA-QWHCGFSZSA-N 2 2 283.416 0.602 20 0 CCADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000353441995 356223130 /nfs/dbraw/zinc/22/31/30/356223130.db2.gz GCJHHZKCKHUKFA-QWHCGFSZSA-N 2 2 283.416 0.602 20 0 CCADLP Cc1nn(C)cc1C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000353349537 356207598 /nfs/dbraw/zinc/20/75/98/356207598.db2.gz GZDVJXQDLPUMQO-UHFFFAOYSA-N 2 2 266.389 0.617 20 0 CCADLP Cc1nn(C)cc1C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000353349537 356207601 /nfs/dbraw/zinc/20/76/01/356207601.db2.gz GZDVJXQDLPUMQO-UHFFFAOYSA-N 2 2 266.389 0.617 20 0 CCADLP CC(C)[C@H](O)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000353585572 356254742 /nfs/dbraw/zinc/25/47/42/356254742.db2.gz UJHAFYIWNVYXEI-ZDUSSCGKSA-N 2 2 271.405 0.146 20 0 CCADLP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000360815008 138012124 /nfs/dbraw/zinc/01/21/24/138012124.db2.gz DGAKRUNIRATQKV-ZJUUUORDSA-N 2 2 261.316 0.442 20 0 CCADLP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000360815008 138012125 /nfs/dbraw/zinc/01/21/25/138012125.db2.gz DGAKRUNIRATQKV-ZJUUUORDSA-N 2 2 261.316 0.442 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000353669935 356270096 /nfs/dbraw/zinc/27/00/96/356270096.db2.gz XALJYSWIDWSXAC-WCQYABFASA-N 2 2 279.388 0.427 20 0 CCADLP CCO[C@H]1C[C@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000360893267 138014927 /nfs/dbraw/zinc/01/49/27/138014927.db2.gz BRBXPLOKRSNLQL-KGLIPLIRSA-N 2 2 283.416 0.554 20 0 CCADLP CO[C@H](C)[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000360895564 138015311 /nfs/dbraw/zinc/01/53/11/138015311.db2.gz XGNKYZOKDDVSPD-MGPQQGTHSA-N 2 2 285.432 0.942 20 0 CCADLP CO[C@H](C)[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000360895564 138015312 /nfs/dbraw/zinc/01/53/12/138015312.db2.gz XGNKYZOKDDVSPD-MGPQQGTHSA-N 2 2 285.432 0.942 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000353722836 356279709 /nfs/dbraw/zinc/27/97/09/356279709.db2.gz HGSZPZJIRUVFCJ-HZSPNIEDSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccccc1-n1ccnn1 ZINC000353506212 356241399 /nfs/dbraw/zinc/24/13/99/356241399.db2.gz XDXGGNMDHFHBSU-CHWSQXEVSA-N 2 2 289.383 0.840 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)[C@@H]2CCC[C@H]21 ZINC000353506818 356241663 /nfs/dbraw/zinc/24/16/63/356241663.db2.gz ZTVUACBTDNVGJM-YHUYYLMFSA-N 3 2 281.444 0.906 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)[C@@H]2CCC[C@H]21 ZINC000353506818 356241665 /nfs/dbraw/zinc/24/16/65/356241665.db2.gz ZTVUACBTDNVGJM-YHUYYLMFSA-N 3 2 281.444 0.906 20 0 CCADLP COC[C@H](CC(C)C)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000361352289 138031079 /nfs/dbraw/zinc/03/10/79/138031079.db2.gz PDBXUWADQYWDNW-KBPBESRZSA-N 2 2 257.422 0.883 20 0 CCADLP COC[C@H](CC(C)C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000361352289 138031080 /nfs/dbraw/zinc/03/10/80/138031080.db2.gz PDBXUWADQYWDNW-KBPBESRZSA-N 2 2 257.422 0.883 20 0 CCADLP C[C@H](C(=O)N[C@H]1C[C@@H]1C1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000361080267 138021169 /nfs/dbraw/zinc/02/11/69/138021169.db2.gz NHERYLNEYHFKSD-BNOWGMLFSA-N 2 2 281.400 0.211 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)CN1CC[NH+](C)CC1 ZINC000361109582 138022627 /nfs/dbraw/zinc/02/26/27/138022627.db2.gz NHOOQTSFCTWPQC-BZUAXINKSA-N 3 2 282.476 0.800 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)CN1CC[NH+](C)CC1 ZINC000361109582 138022628 /nfs/dbraw/zinc/02/26/28/138022628.db2.gz NHOOQTSFCTWPQC-BZUAXINKSA-N 3 2 282.476 0.800 20 0 CCADLP COc1ccc(F)cc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000361135018 138022999 /nfs/dbraw/zinc/02/29/99/138022999.db2.gz CWPOVUQJJGUEBY-AWEZNQCLSA-N 2 2 268.332 0.991 20 0 CCADLP COc1ccc(F)cc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000361135018 138023000 /nfs/dbraw/zinc/02/30/00/138023000.db2.gz CWPOVUQJJGUEBY-AWEZNQCLSA-N 2 2 268.332 0.991 20 0 CCADLP COC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)C(C)C ZINC000361220089 138025617 /nfs/dbraw/zinc/02/56/17/138025617.db2.gz IQJGMQQNNXZRFX-STQMWFEESA-N 2 2 271.405 0.587 20 0 CCADLP COC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)C(C)C ZINC000361220089 138025618 /nfs/dbraw/zinc/02/56/18/138025618.db2.gz IQJGMQQNNXZRFX-STQMWFEESA-N 2 2 271.405 0.587 20 0 CCADLP C[C@@H](C(=O)N(C)CC[N@H+](C)C1CC1)[NH+]1CCN(C)CC1 ZINC000354075813 356343025 /nfs/dbraw/zinc/34/30/25/356343025.db2.gz PAWWUGHWSZXHJN-ZDUSSCGKSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC1)[NH+]1CCN(C)CC1 ZINC000354075813 356343026 /nfs/dbraw/zinc/34/30/26/356343026.db2.gz PAWWUGHWSZXHJN-ZDUSSCGKSA-N 2 2 282.432 0.175 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)[C@H]1CCCc2[nH+]ccn21 ZINC000354201945 356365009 /nfs/dbraw/zinc/36/50/09/356365009.db2.gz CKJHJBBVOQZDMB-SNVBAGLBSA-N 2 2 259.313 0.843 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+](CCO)CC2CCCCC2)CC1 ZINC000362607350 138066151 /nfs/dbraw/zinc/06/61/51/138066151.db2.gz UVKRGODIYUARMT-UHFFFAOYSA-N 2 2 297.443 0.635 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+](CCO)CC2CCCCC2)CC1 ZINC000362607350 138066152 /nfs/dbraw/zinc/06/61/52/138066152.db2.gz UVKRGODIYUARMT-UHFFFAOYSA-N 2 2 297.443 0.635 20 0 CCADLP Cc1cc(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc[nH+]1 ZINC000362618568 138066783 /nfs/dbraw/zinc/06/67/83/138066783.db2.gz YTDVPOPGDDTVGO-UONOGXRCSA-N 2 2 290.367 0.797 20 0 CCADLP Cc1cc(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc[nH+]1 ZINC000362618568 138066784 /nfs/dbraw/zinc/06/67/84/138066784.db2.gz YTDVPOPGDDTVGO-UONOGXRCSA-N 2 2 290.367 0.797 20 0 CCADLP O=C(Nc1cc[nH+]cc1O)[C@H]1CCCc2[nH+]ccn21 ZINC000354256244 356376123 /nfs/dbraw/zinc/37/61/23/356376123.db2.gz REERIKRDXBGTNA-SNVBAGLBSA-N 2 2 258.281 0.922 20 0 CCADLP C[NH+]1CCC(CC(=O)NCCc2[nH]cc[nH+]2)CC1 ZINC000362771473 138073562 /nfs/dbraw/zinc/07/35/62/138073562.db2.gz YHVKFDSSSYJTLA-UHFFFAOYSA-N 2 2 250.346 0.800 20 0 CCADLP O=C(NCc1[nH]cc[nH+]1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000362800441 138074704 /nfs/dbraw/zinc/07/47/04/138074704.db2.gz GATYFKYYCOVAKS-JTQLQIEISA-N 2 2 274.328 0.461 20 0 CCADLP COC(=O)C1(O)CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000362653031 138068025 /nfs/dbraw/zinc/06/80/25/138068025.db2.gz UYDMNRCLFULMOZ-LBPRGKRZSA-N 2 2 270.373 0.471 20 0 CCADLP COC(=O)C1(O)CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000362653031 138068026 /nfs/dbraw/zinc/06/80/26/138068026.db2.gz UYDMNRCLFULMOZ-LBPRGKRZSA-N 2 2 270.373 0.471 20 0 CCADLP Cc1n[nH]cc1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362688492 138069703 /nfs/dbraw/zinc/06/97/03/138069703.db2.gz ZZQLMOLGGCNCIQ-CYBMUJFWSA-N 2 2 277.372 0.114 20 0 CCADLP Cc1n[nH]cc1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362688492 138069704 /nfs/dbraw/zinc/06/97/04/138069704.db2.gz ZZQLMOLGGCNCIQ-CYBMUJFWSA-N 2 2 277.372 0.114 20 0 CCADLP CCOC(=O)c1c[nH+]ccc1NC[C@@H]1C[N@H+](C)CCN1C ZINC000619481132 366264350 /nfs/dbraw/zinc/26/43/50/366264350.db2.gz IUEKXERELFGXJD-GFCCVEGCSA-N 2 2 292.383 0.338 20 0 CCADLP CCOC(=O)c1c[nH+]ccc1NC[C@@H]1C[N@@H+](C)CCN1C ZINC000619481132 366264355 /nfs/dbraw/zinc/26/43/55/366264355.db2.gz IUEKXERELFGXJD-GFCCVEGCSA-N 2 2 292.383 0.338 20 0 CCADLP COC(=O)CNC(=O)CC[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000609537148 363502975 /nfs/dbraw/zinc/50/29/75/363502975.db2.gz NMRYWMFTEUFYNV-GFCCVEGCSA-N 2 2 285.388 0.128 20 0 CCADLP COC(=O)CNC(=O)CC[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000609537148 363502978 /nfs/dbraw/zinc/50/29/78/363502978.db2.gz NMRYWMFTEUFYNV-GFCCVEGCSA-N 2 2 285.388 0.128 20 0 CCADLP C[NH+](C)CCCCC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000560602065 291109473 /nfs/dbraw/zinc/10/94/73/291109473.db2.gz URZDXKCFARSWAN-LBPRGKRZSA-N 2 2 257.378 0.165 20 0 CCADLP C[NH+](C)CCCCC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000560602065 291109474 /nfs/dbraw/zinc/10/94/74/291109474.db2.gz URZDXKCFARSWAN-LBPRGKRZSA-N 2 2 257.378 0.165 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)NCCNc1cc[nH+]cc1 ZINC000356122762 356707392 /nfs/dbraw/zinc/70/73/92/356707392.db2.gz DAYQXRVMQMNIIH-UHFFFAOYSA-N 2 2 288.355 0.501 20 0 CCADLP C[N@H+](Cc1c[nH]c2nccnc12)C1CC[NH+](CCO)CC1 ZINC000356215932 356725283 /nfs/dbraw/zinc/72/52/83/356725283.db2.gz KIECDBWRGSYTMJ-UHFFFAOYSA-N 2 2 289.383 0.798 20 0 CCADLP C[N@@H+](Cc1c[nH]c2nccnc12)C1CC[NH+](CCO)CC1 ZINC000356215932 356725287 /nfs/dbraw/zinc/72/52/87/356725287.db2.gz KIECDBWRGSYTMJ-UHFFFAOYSA-N 2 2 289.383 0.798 20 0 CCADLP CC[C@H](C(=O)NCC[N@@H+]1CCO[C@@H](C)C1)[NH+](C)C ZINC000532473606 358511784 /nfs/dbraw/zinc/51/17/84/358511784.db2.gz XYUZDWIRNPHGOP-NWDGAFQWSA-N 2 2 257.378 0.164 20 0 CCADLP CC[C@H](C(=O)NCC[N@H+]1CCO[C@@H](C)C1)[NH+](C)C ZINC000532473606 358511788 /nfs/dbraw/zinc/51/17/88/358511788.db2.gz XYUZDWIRNPHGOP-NWDGAFQWSA-N 2 2 257.378 0.164 20 0 CCADLP Cc1nn(C)c2ncc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)cc12 ZINC000359478066 356829178 /nfs/dbraw/zinc/82/91/78/356829178.db2.gz XHNSFCUNXSQJBL-CHWSQXEVSA-N 2 2 271.368 0.928 20 0 CCADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CCCNC2=O)CC1 ZINC000359510754 356835282 /nfs/dbraw/zinc/83/52/82/356835282.db2.gz KLHFQOBTBOHATI-CQSZACIVSA-N 2 2 283.416 0.744 20 0 CCADLP C[C@H]([NH3+])CN1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000442656269 235825726 /nfs/dbraw/zinc/82/57/26/235825726.db2.gz FHDHEGRNTWTFBG-ZDUSSCGKSA-N 2 2 282.432 0.400 20 0 CCADLP C[C@H]([NH3+])CN1CC[NH+](CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 ZINC000442659129 235825814 /nfs/dbraw/zinc/82/58/14/235825814.db2.gz KIWHYODSUMYDTF-SOUVJXGZSA-N 2 2 296.459 0.646 20 0 CCADLP CC(C)NC(=O)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655683464 412645891 /nfs/dbraw/zinc/64/58/91/412645891.db2.gz RYRYNRANAIUCGP-AWEZNQCLSA-N 2 2 283.416 0.744 20 0 CCADLP CCNC(=O)[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655683645 412646199 /nfs/dbraw/zinc/64/61/99/412646199.db2.gz TWJOYAZXDUGWLY-GXTWGEPZSA-N 2 2 283.416 0.744 20 0 CCADLP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCOCC2)C1 ZINC000362313987 357054313 /nfs/dbraw/zinc/05/43/13/357054313.db2.gz MJQJSPKCWHVREJ-GJZGRUSLSA-N 2 2 297.443 0.897 20 0 CCADLP c1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)n[nH]1 ZINC000655712429 412649332 /nfs/dbraw/zinc/64/93/32/412649332.db2.gz NFETVTYCCBWERW-ZDUSSCGKSA-N 2 2 250.346 0.753 20 0 CCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[NH+](C2CC2)CC1 ZINC000364378668 357113337 /nfs/dbraw/zinc/11/33/37/357113337.db2.gz AZLKREQMUAWAOB-LBPRGKRZSA-N 2 2 274.368 0.752 20 0 CCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C[NH+](C)C ZINC000365312023 357142528 /nfs/dbraw/zinc/14/25/28/357142528.db2.gz VMKUZBLCIPMAFR-UHFFFAOYSA-N 2 2 250.346 0.739 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000365762092 357170964 /nfs/dbraw/zinc/17/09/64/357170964.db2.gz CWVSNDKVLOCQAW-CQSZACIVSA-N 2 2 281.400 0.404 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000365762092 357170966 /nfs/dbraw/zinc/17/09/66/357170966.db2.gz CWVSNDKVLOCQAW-CQSZACIVSA-N 2 2 281.400 0.404 20 0 CCADLP c1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)n[nH]1 ZINC000655712428 412650088 /nfs/dbraw/zinc/65/00/88/412650088.db2.gz NFETVTYCCBWERW-CYBMUJFWSA-N 2 2 250.346 0.753 20 0 CCADLP O=C1C[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CN1C1CC1 ZINC000655730423 412652615 /nfs/dbraw/zinc/65/26/15/412652615.db2.gz JLWJAOXPQMXISF-UKRRQHHQSA-N 2 2 293.411 0.593 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2C[C@]23CCOC3)CC1 ZINC000368107696 357321423 /nfs/dbraw/zinc/32/14/23/357321423.db2.gz NMSVASZLYKFZPW-HOCLYGCPSA-N 2 2 295.427 0.555 20 0 CCADLP C[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369275234 357343179 /nfs/dbraw/zinc/34/31/79/357343179.db2.gz WSUWGIMRTLHSIB-DYEKYZERSA-N 2 2 265.401 0.927 20 0 CCADLP C[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369275234 357343186 /nfs/dbraw/zinc/34/31/86/357343186.db2.gz WSUWGIMRTLHSIB-DYEKYZERSA-N 2 2 265.401 0.927 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(C)(C)O)C2)CC1 ZINC000373780492 357391198 /nfs/dbraw/zinc/39/11/98/357391198.db2.gz MISDKRCXUPYKPN-LLVKDONJSA-N 2 2 269.389 0.042 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(C)(C)O)C2)CC1 ZINC000373780492 357391200 /nfs/dbraw/zinc/39/12/00/357391200.db2.gz MISDKRCXUPYKPN-LLVKDONJSA-N 2 2 269.389 0.042 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cc(-c2cccnc2)n[nH]1 ZINC000376534675 357478345 /nfs/dbraw/zinc/47/83/45/357478345.db2.gz HIZWRKFMZRCYSJ-HNNXBMFYSA-N 2 2 289.383 0.874 20 0 CCADLP CCN(CCO)CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655757245 412655616 /nfs/dbraw/zinc/65/56/16/412655616.db2.gz RFQUICMPMPIUBT-INIZCTEOSA-N 2 2 299.459 0.534 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C[C@H]3CCC[NH2+]3)C2)CC1 ZINC000377196220 357551186 /nfs/dbraw/zinc/55/11/86/357551186.db2.gz HWVUGRXIMBZFPD-ZIAGYGMSSA-N 3 2 294.443 0.413 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C[C@H]3CCC[NH2+]3)C2)CC1 ZINC000377196220 357551189 /nfs/dbraw/zinc/55/11/89/357551189.db2.gz HWVUGRXIMBZFPD-ZIAGYGMSSA-N 3 2 294.443 0.413 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCC[NH3+])C2)CC1 ZINC000377199722 357552451 /nfs/dbraw/zinc/55/24/51/357552451.db2.gz VTZLNKWXFKQBDI-GFCCVEGCSA-N 3 2 268.405 0.010 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCC[NH3+])C2)CC1 ZINC000377199722 357552452 /nfs/dbraw/zinc/55/24/52/357552452.db2.gz VTZLNKWXFKQBDI-GFCCVEGCSA-N 3 2 268.405 0.010 20 0 CCADLP Nc1ccc(NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)c[nH+]1 ZINC000424075111 283275547 /nfs/dbraw/zinc/27/55/47/283275547.db2.gz ITVNLULWVAYOJZ-JTQLQIEISA-N 2 2 287.327 0.262 20 0 CCADLP C[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H](C)[N@H+]1CCO ZINC000449534126 236036832 /nfs/dbraw/zinc/03/68/32/236036832.db2.gz LQOZTBVQOXAUNH-TXEJJXNPSA-N 2 2 252.362 0.307 20 0 CCADLP C[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H](C)[N@@H+]1CCO ZINC000449534126 236036834 /nfs/dbraw/zinc/03/68/34/236036834.db2.gz LQOZTBVQOXAUNH-TXEJJXNPSA-N 2 2 252.362 0.307 20 0 CCADLP CN(C)S(=O)(=O)CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000385059540 357724700 /nfs/dbraw/zinc/72/47/00/357724700.db2.gz FSYHLDWMXKDYHN-FOSCPWQOSA-N 2 2 275.418 0.093 20 0 CCADLP CN(C)S(=O)(=O)CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000385059540 357724703 /nfs/dbraw/zinc/72/47/03/357724703.db2.gz FSYHLDWMXKDYHN-FOSCPWQOSA-N 2 2 275.418 0.093 20 0 CCADLP C[C@H]([NH3+])[C@H](C)NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000449603986 236040605 /nfs/dbraw/zinc/04/06/05/236040605.db2.gz SAUFZTSAEYKLSO-STQMWFEESA-N 2 2 291.399 0.056 20 0 CCADLP Cc1n[nH]cc1C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449390194 236032189 /nfs/dbraw/zinc/03/21/89/236032189.db2.gz GERIJOMYIPCKFY-CYBMUJFWSA-N 2 2 252.362 0.655 20 0 CCADLP Cc1n[nH]cc1C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449390194 236032192 /nfs/dbraw/zinc/03/21/92/236032192.db2.gz GERIJOMYIPCKFY-CYBMUJFWSA-N 2 2 252.362 0.655 20 0 CCADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000389274361 357735858 /nfs/dbraw/zinc/73/58/58/357735858.db2.gz RWEOWNMHWADELM-WCQYABFASA-N 2 2 297.359 0.226 20 0 CCADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000389274361 357735863 /nfs/dbraw/zinc/73/58/63/357735863.db2.gz RWEOWNMHWADELM-WCQYABFASA-N 2 2 297.359 0.226 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCCOC1 ZINC000401677270 357802606 /nfs/dbraw/zinc/80/26/06/357802606.db2.gz TYFQFUUZWDVARX-QWHCGFSZSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCCOC1 ZINC000401677270 357802610 /nfs/dbraw/zinc/80/26/10/357802610.db2.gz TYFQFUUZWDVARX-QWHCGFSZSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H]1CCCOC1 ZINC000401677270 357802615 /nfs/dbraw/zinc/80/26/15/357802615.db2.gz TYFQFUUZWDVARX-QWHCGFSZSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H]1CCCOC1 ZINC000401677270 357802616 /nfs/dbraw/zinc/80/26/16/357802616.db2.gz TYFQFUUZWDVARX-QWHCGFSZSA-N 2 2 260.378 0.036 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(F)(F)[C@@H](CO)C1 ZINC000403948791 357812057 /nfs/dbraw/zinc/81/20/57/357812057.db2.gz DBTRFKREISITCG-GHMZBOCLSA-N 2 2 266.332 0.249 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(F)(F)[C@@H](CO)C1 ZINC000403948791 357812061 /nfs/dbraw/zinc/81/20/61/357812061.db2.gz DBTRFKREISITCG-GHMZBOCLSA-N 2 2 266.332 0.249 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000403948791 357812066 /nfs/dbraw/zinc/81/20/66/357812066.db2.gz DBTRFKREISITCG-GHMZBOCLSA-N 2 2 266.332 0.249 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000403948791 357812069 /nfs/dbraw/zinc/81/20/69/357812069.db2.gz DBTRFKREISITCG-GHMZBOCLSA-N 2 2 266.332 0.249 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)C[S@@](C)=O ZINC000398843427 357779687 /nfs/dbraw/zinc/77/96/87/357779687.db2.gz KNOIBODECFXAGU-BWACUDIHSA-N 2 2 264.435 0.386 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)C[S@@](C)=O ZINC000398843427 357779688 /nfs/dbraw/zinc/77/96/88/357779688.db2.gz KNOIBODECFXAGU-BWACUDIHSA-N 2 2 264.435 0.386 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000398843427 357779689 /nfs/dbraw/zinc/77/96/89/357779689.db2.gz KNOIBODECFXAGU-BWACUDIHSA-N 2 2 264.435 0.386 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000398843427 357779691 /nfs/dbraw/zinc/77/96/91/357779691.db2.gz KNOIBODECFXAGU-BWACUDIHSA-N 2 2 264.435 0.386 20 0 CCADLP COC(=O)c1cc(C[NH2+][C@@H]2CCC[N@H+](C)C2)c[nH]1 ZINC000610651960 363590068 /nfs/dbraw/zinc/59/00/68/363590068.db2.gz BCBCHIJVXGDLGC-LLVKDONJSA-N 2 2 251.330 0.985 20 0 CCADLP COC(=O)c1cc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)c[nH]1 ZINC000610651960 363590072 /nfs/dbraw/zinc/59/00/72/363590072.db2.gz BCBCHIJVXGDLGC-LLVKDONJSA-N 2 2 251.330 0.985 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NC1CC[NH+](C)CC1 ZINC000408059477 357894798 /nfs/dbraw/zinc/89/47/98/357894798.db2.gz HFVCYRFBFXKGGJ-UHFFFAOYSA-N 2 2 251.334 0.314 20 0 CCADLP C[C@@H]1C[N@H+](CCO)CCN1c1[nH+]cnc2[nH]ccc21 ZINC000450951867 236124255 /nfs/dbraw/zinc/12/42/55/236124255.db2.gz GRPQGHGSCCPSSV-SNVBAGLBSA-N 2 2 261.329 0.461 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)CCN1c1[nH+]cnc2[nH]ccc21 ZINC000450951867 236124256 /nfs/dbraw/zinc/12/42/56/236124256.db2.gz GRPQGHGSCCPSSV-SNVBAGLBSA-N 2 2 261.329 0.461 20 0 CCADLP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000561169280 291119092 /nfs/dbraw/zinc/11/90/92/291119092.db2.gz QLZWGTRFMDQEGS-QWHCGFSZSA-N 2 2 276.384 0.904 20 0 CCADLP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000561169280 291119095 /nfs/dbraw/zinc/11/90/95/291119095.db2.gz QLZWGTRFMDQEGS-QWHCGFSZSA-N 2 2 276.384 0.904 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Cc1c[nH+]cn1C ZINC000561201035 291120537 /nfs/dbraw/zinc/12/05/37/291120537.db2.gz SGFWWAZIJGKTTD-TZMCWYRMSA-N 2 2 292.383 0.284 20 0 CCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000329403469 291128645 /nfs/dbraw/zinc/12/86/45/291128645.db2.gz WSWSOIKOBOBBQH-STQMWFEESA-N 2 2 292.383 0.664 20 0 CCADLP [NH3+][C@@H](C(=O)NC[C@@H]1CCC[NH2+]1)c1c(F)cccc1F ZINC000417783659 358140127 /nfs/dbraw/zinc/14/01/27/358140127.db2.gz NJOOUDJESFHHHY-QPUJVOFHSA-N 2 2 269.295 0.833 20 0 CCADLP C[C@@H](C(=O)N(C)C[C@H]1CCC[N@@H+]1C)[NH+]1CCSCC1 ZINC000421713244 358187897 /nfs/dbraw/zinc/18/78/97/358187897.db2.gz SFSLWCPVLBMWJF-QWHCGFSZSA-N 2 2 285.457 0.976 20 0 CCADLP C[C@@H](C(=O)N(C)C[C@H]1CCC[N@H+]1C)[NH+]1CCSCC1 ZINC000421713244 358187900 /nfs/dbraw/zinc/18/79/00/358187900.db2.gz SFSLWCPVLBMWJF-QWHCGFSZSA-N 2 2 285.457 0.976 20 0 CCADLP C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000422804063 358192686 /nfs/dbraw/zinc/19/26/86/358192686.db2.gz HDHAZLXYGYOXRN-DZGCQCFKSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000422804063 358192687 /nfs/dbraw/zinc/19/26/87/358192687.db2.gz HDHAZLXYGYOXRN-DZGCQCFKSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422864357 358194170 /nfs/dbraw/zinc/19/41/70/358194170.db2.gz UUVKBWWNVRDUAF-QLFBSQMISA-N 3 2 268.449 0.743 20 0 CCADLP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]CC[NH3+] ZINC000423187685 358197264 /nfs/dbraw/zinc/19/72/64/358197264.db2.gz PAVNNEFBIBOHSK-HNNXBMFYSA-N 2 2 263.385 0.917 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)[C@H](C)O1 ZINC000449120003 358251630 /nfs/dbraw/zinc/25/16/30/358251630.db2.gz BQGHBHOLWFTQPU-MROQNXINSA-N 2 2 269.389 0.482 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)[C@H](C)O1 ZINC000449120003 358251631 /nfs/dbraw/zinc/25/16/31/358251631.db2.gz BQGHBHOLWFTQPU-MROQNXINSA-N 2 2 269.389 0.482 20 0 CCADLP O[C@H](CNC[C@@H]1CC[N@@H+]1C1CCCC1)C[NH+]1CCOCC1 ZINC000530241952 358385092 /nfs/dbraw/zinc/38/50/92/358385092.db2.gz FJADPHUVTJOQHV-JKSUJKDBSA-N 2 2 297.443 0.286 20 0 CCADLP O[C@H](CNC[C@@H]1CC[N@H+]1C1CCCC1)C[NH+]1CCOCC1 ZINC000530241952 358385096 /nfs/dbraw/zinc/38/50/96/358385096.db2.gz FJADPHUVTJOQHV-JKSUJKDBSA-N 2 2 297.443 0.286 20 0 CCADLP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)Cn1cccn1 ZINC000530245414 358385824 /nfs/dbraw/zinc/38/58/24/358385824.db2.gz YDYASDPNZOOARB-LSDHHAIUSA-N 2 2 278.400 0.851 20 0 CCADLP O[C@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)Cn1cccn1 ZINC000530245414 358385828 /nfs/dbraw/zinc/38/58/28/358385828.db2.gz YDYASDPNZOOARB-LSDHHAIUSA-N 2 2 278.400 0.851 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(n2ccnc2)CC1 ZINC000562478638 291154717 /nfs/dbraw/zinc/15/47/17/291154717.db2.gz LSAFGMALCWUONG-OAHLLOKOSA-N 2 2 296.415 0.459 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(n2ccnc2)CC1 ZINC000562478638 291154719 /nfs/dbraw/zinc/15/47/19/291154719.db2.gz LSAFGMALCWUONG-OAHLLOKOSA-N 2 2 296.415 0.459 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000562478638 291154721 /nfs/dbraw/zinc/15/47/21/291154721.db2.gz LSAFGMALCWUONG-OAHLLOKOSA-N 3 2 296.415 0.459 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000562478638 291154722 /nfs/dbraw/zinc/15/47/22/291154722.db2.gz LSAFGMALCWUONG-OAHLLOKOSA-N 3 2 296.415 0.459 20 0 CCADLP CO[C@H](C[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)C1CC1 ZINC000565534617 358562293 /nfs/dbraw/zinc/56/22/93/358562293.db2.gz BSXWQZHXHSCHEN-RJZRQDKASA-N 2 2 286.416 0.471 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@H]2CCSC2)C[C@H](C)O1 ZINC000567685315 358571166 /nfs/dbraw/zinc/57/11/66/358571166.db2.gz ZQNVMBBJCWKJBG-QNWHQSFQSA-N 2 2 274.430 0.552 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@H]2CCSC2)C[C@H](C)O1 ZINC000567685315 358571170 /nfs/dbraw/zinc/57/11/70/358571170.db2.gz ZQNVMBBJCWKJBG-QNWHQSFQSA-N 2 2 274.430 0.552 20 0 CCADLP C[C@@H](C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)S(C)(=O)=O ZINC000567725865 358577281 /nfs/dbraw/zinc/57/72/81/358577281.db2.gz MKJBWZMJRPXQOD-WDEREUQCSA-N 2 2 260.403 0.493 20 0 CCADLP C[C@@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)S(C)(=O)=O ZINC000567725865 358577284 /nfs/dbraw/zinc/57/72/84/358577284.db2.gz MKJBWZMJRPXQOD-WDEREUQCSA-N 2 2 260.403 0.493 20 0 CCADLP CCOC[C@H](O)C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000567994956 358623249 /nfs/dbraw/zinc/62/32/49/358623249.db2.gz ZOFKUHCUNMSEOQ-CQSZACIVSA-N 2 2 286.416 0.210 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000568169839 358640699 /nfs/dbraw/zinc/64/06/99/358640699.db2.gz VLBBIZYEULALEJ-LBPRGKRZSA-N 2 2 271.386 0.472 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000568169839 358640702 /nfs/dbraw/zinc/64/07/02/358640702.db2.gz VLBBIZYEULALEJ-LBPRGKRZSA-N 2 2 271.386 0.472 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)[NH+]1CC(C)C1 ZINC000568205256 358647218 /nfs/dbraw/zinc/64/72/18/358647218.db2.gz IUQQUGKBYZJCQU-KGLIPLIRSA-N 2 2 297.443 0.630 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)[NH+]1CC(C)C1 ZINC000568205256 358647220 /nfs/dbraw/zinc/64/72/20/358647220.db2.gz IUQQUGKBYZJCQU-KGLIPLIRSA-N 2 2 297.443 0.630 20 0 CCADLP C[C@@H](O)CNc1cc(NC[C@H]2CCC[N@H+](C)C2)nc[nH+]1 ZINC000568217089 358650470 /nfs/dbraw/zinc/65/04/70/358650470.db2.gz WLNACHBFOOEOHH-VXGBXAGGSA-N 2 2 279.388 0.445 20 0 CCADLP C[C@@H](O)CNc1cc(NC[C@H]2CCC[N@@H+](C)C2)nc[nH+]1 ZINC000568217089 358650475 /nfs/dbraw/zinc/65/04/75/358650475.db2.gz WLNACHBFOOEOHH-VXGBXAGGSA-N 2 2 279.388 0.445 20 0 CCADLP C[C@@H](O)CNc1cc(NC[C@H]2CCC[N@H+](C)C2)[nH+]cn1 ZINC000568217089 358650478 /nfs/dbraw/zinc/65/04/78/358650478.db2.gz WLNACHBFOOEOHH-VXGBXAGGSA-N 2 2 279.388 0.445 20 0 CCADLP C[C@@H](O)CNc1cc(NC[C@H]2CCC[N@@H+](C)C2)[nH+]cn1 ZINC000568217089 358650481 /nfs/dbraw/zinc/65/04/81/358650481.db2.gz WLNACHBFOOEOHH-VXGBXAGGSA-N 2 2 279.388 0.445 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNc2ccnc(C#N)n2)CC1 ZINC000568251371 358656820 /nfs/dbraw/zinc/65/68/20/358656820.db2.gz PNFSBTYMZSQYPR-UHFFFAOYSA-N 2 2 274.372 0.208 20 0 CCADLP C[C@@H](NC(=O)[C@@H](C)[NH+]1CC(C)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000574050875 334988157 /nfs/dbraw/zinc/98/81/57/334988157.db2.gz BAPBXQCXWRDCEW-MGPQQGTHSA-N 2 2 283.416 0.552 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000569469921 358766745 /nfs/dbraw/zinc/76/67/45/358766745.db2.gz APQWQBVUDQFFBV-TZMCWYRMSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000569469921 358766748 /nfs/dbraw/zinc/76/67/48/358766748.db2.gz APQWQBVUDQFFBV-TZMCWYRMSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000569469921 358766749 /nfs/dbraw/zinc/76/67/49/358766749.db2.gz APQWQBVUDQFFBV-TZMCWYRMSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000569469921 358766752 /nfs/dbraw/zinc/76/67/52/358766752.db2.gz APQWQBVUDQFFBV-TZMCWYRMSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C2CC(C)(F)C2)C[C@@H](C)O1 ZINC000569837385 358798296 /nfs/dbraw/zinc/79/82/96/358798296.db2.gz OFSFYQYEKYUPMC-LRUBOHGLSA-N 2 2 274.380 0.937 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000449118315 283396462 /nfs/dbraw/zinc/39/64/62/283396462.db2.gz XQHNZRAZXZCAHI-GFCCVEGCSA-N 2 2 257.378 0.165 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2C[C@H]2C2CC2)C[C@H](C)O1 ZINC000569961476 358809043 /nfs/dbraw/zinc/80/90/43/358809043.db2.gz BPJSMXFPYKSUOC-QFCKPIOYSA-N 2 2 268.401 0.845 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2C[C@H]2C2CC2)C[C@H](C)O1 ZINC000569961476 358809046 /nfs/dbraw/zinc/80/90/46/358809046.db2.gz BPJSMXFPYKSUOC-QFCKPIOYSA-N 2 2 268.401 0.845 20 0 CCADLP CO[C@@](C)(CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C1CC1 ZINC000570188447 358832170 /nfs/dbraw/zinc/83/21/70/358832170.db2.gz RMHHUDQSMDFXCI-OCCSQVGLSA-N 2 2 284.404 0.086 20 0 CCADLP CO[C@@](C)(CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C1CC1 ZINC000570188447 358832174 /nfs/dbraw/zinc/83/21/74/358832174.db2.gz RMHHUDQSMDFXCI-OCCSQVGLSA-N 2 2 284.404 0.086 20 0 CCADLP CC(C)CSCCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000570187599 358832209 /nfs/dbraw/zinc/83/22/09/358832209.db2.gz BQYASPRQZFVIPR-GFCCVEGCSA-N 2 2 288.461 0.660 20 0 CCADLP CC(C)CSCCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000570187599 358832216 /nfs/dbraw/zinc/83/22/16/358832216.db2.gz BQYASPRQZFVIPR-GFCCVEGCSA-N 2 2 288.461 0.660 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC(C)(C)C2)C1 ZINC000570223226 358835382 /nfs/dbraw/zinc/83/53/82/358835382.db2.gz PMUHMSKSDFHFMB-AWEZNQCLSA-N 2 2 297.443 0.801 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC(C)(C)C2)C1 ZINC000570223226 358835384 /nfs/dbraw/zinc/83/53/84/358835384.db2.gz PMUHMSKSDFHFMB-AWEZNQCLSA-N 2 2 297.443 0.801 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC(C)(C)C2)C1 ZINC000570223227 358835572 /nfs/dbraw/zinc/83/55/72/358835572.db2.gz PMUHMSKSDFHFMB-CQSZACIVSA-N 2 2 297.443 0.801 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC(C)(C)C2)C1 ZINC000570223227 358835575 /nfs/dbraw/zinc/83/55/75/358835575.db2.gz PMUHMSKSDFHFMB-CQSZACIVSA-N 2 2 297.443 0.801 20 0 CCADLP CC1(C)NC(=O)CC[C@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000570229450 358836794 /nfs/dbraw/zinc/83/67/94/358836794.db2.gz SYXUOJQLVPATQJ-WDEREUQCSA-N 2 2 262.357 0.845 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000570344695 358848805 /nfs/dbraw/zinc/84/88/05/358848805.db2.gz VNQXTQRCXNNSLK-OLZOCXBDSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000570344695 358848811 /nfs/dbraw/zinc/84/88/11/358848811.db2.gz VNQXTQRCXNNSLK-OLZOCXBDSA-N 2 2 269.389 0.213 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C)CC1 ZINC000571093680 358912118 /nfs/dbraw/zinc/91/21/18/358912118.db2.gz SNMUYENHACMGEW-CQSZACIVSA-N 3 2 298.475 0.938 20 0 CCADLP CS[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH+]1CCCC1 ZINC000571135352 358914265 /nfs/dbraw/zinc/91/42/65/358914265.db2.gz SGXALQVBWJAIMA-CHWSQXEVSA-N 2 2 294.424 0.921 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N=c1ccn(CC[NH+](C)C)[nH]1 ZINC000571175821 358919298 /nfs/dbraw/zinc/91/92/98/358919298.db2.gz JMRBRXPBMDJZCB-NSHDSACASA-N 2 2 290.371 0.407 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)CCc1c[nH+]cn1C ZINC000570957918 358898804 /nfs/dbraw/zinc/89/88/04/358898804.db2.gz LMVYOSVSTDJIEB-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)CCc1c[nH+]cn1C ZINC000570957918 358898807 /nfs/dbraw/zinc/89/88/07/358898807.db2.gz LMVYOSVSTDJIEB-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N=c1ccn(CC[NH+](C)C)[nH]1 ZINC000571175821 358919302 /nfs/dbraw/zinc/91/93/02/358919302.db2.gz JMRBRXPBMDJZCB-NSHDSACASA-N 2 2 290.371 0.407 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](CCn2cnc3ccccc3c2=O)C1 ZINC000574083906 359027083 /nfs/dbraw/zinc/02/70/83/359027083.db2.gz GTVUMTHUDNSTCR-ZDUSSCGKSA-N 2 2 286.379 0.938 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](CCn2cnc3ccccc3c2=O)C1 ZINC000574083906 359027089 /nfs/dbraw/zinc/02/70/89/359027089.db2.gz GTVUMTHUDNSTCR-ZDUSSCGKSA-N 2 2 286.379 0.938 20 0 CCADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)C(=O)Nc1ncccn1 ZINC000574143780 359032097 /nfs/dbraw/zinc/03/20/97/359032097.db2.gz SBJXDZCURSWNJB-NOOOWODRSA-N 2 2 277.372 0.780 20 0 CCADLP C[NH+]1CCC(C)(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC000573635758 358985764 /nfs/dbraw/zinc/98/57/64/358985764.db2.gz LRWBKQGXWOUICI-UHFFFAOYSA-N 2 2 250.346 0.731 20 0 CCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000562788951 291167490 /nfs/dbraw/zinc/16/74/90/291167490.db2.gz COEHVUUHYWNYJR-UONOGXRCSA-N 3 2 297.447 0.145 20 0 CCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000562788951 291167493 /nfs/dbraw/zinc/16/74/93/291167493.db2.gz COEHVUUHYWNYJR-UONOGXRCSA-N 3 2 297.447 0.145 20 0 CCADLP C[C@H](NC(=O)[C@H]1CC[NH2+][C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000579953125 359067289 /nfs/dbraw/zinc/06/72/89/359067289.db2.gz GLFDUWNTZCXIPF-CYDGBPFRSA-N 2 2 269.389 0.210 20 0 CCADLP CC(C)(C[NH+]1CCOCC1)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000579977509 359073149 /nfs/dbraw/zinc/07/31/49/359073149.db2.gz FEJOYEKZDSAMCI-UHFFFAOYSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)CC[N@@H+]1CC(C)(C)O ZINC000579976804 359073912 /nfs/dbraw/zinc/07/39/12/359073912.db2.gz PNNIGVRBLMQZJW-ZDUSSCGKSA-N 2 2 297.443 0.632 20 0 CCADLP C[C@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)CC[N@H+]1CC(C)(C)O ZINC000579976804 359073919 /nfs/dbraw/zinc/07/39/19/359073919.db2.gz PNNIGVRBLMQZJW-ZDUSSCGKSA-N 2 2 297.443 0.632 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCc1cn(C)c[nH+]1 ZINC000580759625 359090920 /nfs/dbraw/zinc/09/09/20/359090920.db2.gz RIHJERNCCWBQEO-CYBMUJFWSA-N 2 2 279.388 0.746 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)NCCc1cn(C)c[nH+]1 ZINC000580759625 359090924 /nfs/dbraw/zinc/09/09/24/359090924.db2.gz RIHJERNCCWBQEO-CYBMUJFWSA-N 2 2 279.388 0.746 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000580944328 359111542 /nfs/dbraw/zinc/11/15/42/359111542.db2.gz BWFKUHFNQGAHAO-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000580944328 359111544 /nfs/dbraw/zinc/11/15/44/359111544.db2.gz BWFKUHFNQGAHAO-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000580944328 359111549 /nfs/dbraw/zinc/11/15/49/359111549.db2.gz BWFKUHFNQGAHAO-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000580944328 359111551 /nfs/dbraw/zinc/11/15/51/359111551.db2.gz BWFKUHFNQGAHAO-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCCC[NH2+]1 ZINC000580957934 359114387 /nfs/dbraw/zinc/11/43/87/359114387.db2.gz RNVQQFMAUGKJTI-GRYCIOLGSA-N 2 2 275.418 0.141 20 0 CCADLP CCOCC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000581020995 359122736 /nfs/dbraw/zinc/12/27/36/359122736.db2.gz QEAUKAZDQQUAGS-MJBXVCDLSA-N 2 2 256.390 0.942 20 0 CCADLP CCOCC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000581020995 359122740 /nfs/dbraw/zinc/12/27/40/359122740.db2.gz QEAUKAZDQQUAGS-MJBXVCDLSA-N 2 2 256.390 0.942 20 0 CCADLP CCOCC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000581020995 359122744 /nfs/dbraw/zinc/12/27/44/359122744.db2.gz QEAUKAZDQQUAGS-MJBXVCDLSA-N 2 2 256.390 0.942 20 0 CCADLP CCOCC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000581020995 359122748 /nfs/dbraw/zinc/12/27/48/359122748.db2.gz QEAUKAZDQQUAGS-MJBXVCDLSA-N 2 2 256.390 0.942 20 0 CCADLP CC(C)c1cc(N2CC[N@H+](C)C[C@@H]2C[NH3+])nc(N(C)C)[nH+]1 ZINC000581002133 359118693 /nfs/dbraw/zinc/11/86/93/359118693.db2.gz MMJUWJKBTDSIBY-LBPRGKRZSA-N 3 2 292.431 0.745 20 0 CCADLP CC(C)c1cc(N2CC[N@@H+](C)C[C@@H]2C[NH3+])nc(N(C)C)[nH+]1 ZINC000581002133 359118696 /nfs/dbraw/zinc/11/86/96/359118696.db2.gz MMJUWJKBTDSIBY-LBPRGKRZSA-N 3 2 292.431 0.745 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)c1sccc1C ZINC000579849169 359056051 /nfs/dbraw/zinc/05/60/51/359056051.db2.gz MGJRGGLCJNHAJM-RYUDHWBXSA-N 2 2 272.414 0.992 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)c1sccc1C ZINC000579849169 359056053 /nfs/dbraw/zinc/05/60/53/359056053.db2.gz MGJRGGLCJNHAJM-RYUDHWBXSA-N 2 2 272.414 0.992 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1)C1CC1 ZINC000579896126 359059100 /nfs/dbraw/zinc/05/91/00/359059100.db2.gz DXZBXRSSFVUKBD-LBPRGKRZSA-N 2 2 295.387 0.145 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1)C1CC1 ZINC000579896126 359059103 /nfs/dbraw/zinc/05/91/03/359059103.db2.gz DXZBXRSSFVUKBD-LBPRGKRZSA-N 2 2 295.387 0.145 20 0 CCADLP C[C@@H]([NH3+])CCC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000581009250 359119463 /nfs/dbraw/zinc/11/94/63/359119463.db2.gz GRVFYQYNAYVPRU-GFCCVEGCSA-N 2 2 279.388 0.192 20 0 CCADLP CC(C)C1(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1 ZINC000582290574 359129069 /nfs/dbraw/zinc/12/90/69/359129069.db2.gz HOVIMDHXMUUJBF-GFCCVEGCSA-N 2 2 268.405 0.707 20 0 CCADLP CC(C)C1(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1 ZINC000582290574 359129074 /nfs/dbraw/zinc/12/90/74/359129074.db2.gz HOVIMDHXMUUJBF-GFCCVEGCSA-N 2 2 268.405 0.707 20 0 CCADLP CC(C)N1CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1=O ZINC000583258838 359152851 /nfs/dbraw/zinc/15/28/51/359152851.db2.gz UKFAGWIDEYGKMB-STQMWFEESA-N 2 2 269.389 0.040 20 0 CCADLP CC(C)N1CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1=O ZINC000583258838 359152853 /nfs/dbraw/zinc/15/28/53/359152853.db2.gz UKFAGWIDEYGKMB-STQMWFEESA-N 2 2 269.389 0.040 20 0 CCADLP COc1cccc(OCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000583629963 359156564 /nfs/dbraw/zinc/15/65/64/359156564.db2.gz XTOKIUFGTKIHSA-LBPRGKRZSA-N 2 2 293.367 0.175 20 0 CCADLP COc1cccc(OCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000583629963 359156575 /nfs/dbraw/zinc/15/65/75/359156575.db2.gz XTOKIUFGTKIHSA-LBPRGKRZSA-N 2 2 293.367 0.175 20 0 CCADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000588692385 359331726 /nfs/dbraw/zinc/33/17/26/359331726.db2.gz WYHGCQIRHLXBIL-BBWFWOEESA-N 3 2 289.423 0.631 20 0 CCADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000588692385 359331730 /nfs/dbraw/zinc/33/17/30/359331730.db2.gz WYHGCQIRHLXBIL-BBWFWOEESA-N 3 2 289.423 0.631 20 0 CCADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000588692385 359331739 /nfs/dbraw/zinc/33/17/39/359331739.db2.gz WYHGCQIRHLXBIL-BBWFWOEESA-N 3 2 289.423 0.631 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COC(C)C ZINC000562983683 291178426 /nfs/dbraw/zinc/17/84/26/291178426.db2.gz DMGGMLHWVLGOOT-KBPBESRZSA-N 2 2 274.405 0.473 20 0 CCADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COC(C)C ZINC000562983683 291178428 /nfs/dbraw/zinc/17/84/28/291178428.db2.gz DMGGMLHWVLGOOT-KBPBESRZSA-N 2 2 274.405 0.473 20 0 CCADLP C[C@H](C[S@](C)=O)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000590594756 359494524 /nfs/dbraw/zinc/49/45/24/359494524.db2.gz OWNZUDLMXBKWFB-ZMZPIMSZSA-N 2 2 276.446 0.578 20 0 CCADLP C[C@H](CNC(=O)/C=C\C[NH+](C)C)Cn1cc[nH+]c1 ZINC000492084105 237070343 /nfs/dbraw/zinc/07/03/43/237070343.db2.gz AEXFCSYRAFNWQT-QMAVJUDZSA-N 2 2 250.346 0.753 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CCO[C@H](C)C1 ZINC000591176920 359566108 /nfs/dbraw/zinc/56/61/08/359566108.db2.gz HAGKMBIOYNOFLZ-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CCO[C@H](C)C1 ZINC000591176920 359566114 /nfs/dbraw/zinc/56/61/14/359566114.db2.gz HAGKMBIOYNOFLZ-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000591176920 359566118 /nfs/dbraw/zinc/56/61/18/359566118.db2.gz HAGKMBIOYNOFLZ-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000591176920 359566125 /nfs/dbraw/zinc/56/61/25/359566125.db2.gz HAGKMBIOYNOFLZ-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP COCC[NH+]1CCC(NC(=O)CCCn2cc[nH+]c2)CC1 ZINC000591158721 359563258 /nfs/dbraw/zinc/56/32/58/359563258.db2.gz FQYUEMVPZBMZPD-UHFFFAOYSA-N 2 2 294.399 0.890 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)CCCn1cc[nH+]c1 ZINC000591230117 359571902 /nfs/dbraw/zinc/57/19/02/359571902.db2.gz KASUVXPMRNFGAL-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)CCCn1cc[nH+]c1 ZINC000591230117 359571909 /nfs/dbraw/zinc/57/19/09/359571909.db2.gz KASUVXPMRNFGAL-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP Cc1cc(N(C)C[C@H](O)C[NH+]2CCOCC2)cc[nH+]1 ZINC000274933458 192847884 /nfs/dbraw/zinc/84/78/84/192847884.db2.gz RHRKVXKWNREUHJ-AWEZNQCLSA-N 2 2 265.357 0.519 20 0 CCADLP COC(=O)[C@@H](C1CC1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592184510 359778287 /nfs/dbraw/zinc/77/82/87/359778287.db2.gz MOHKDQIBICHPQZ-CYBMUJFWSA-N 2 2 282.384 0.735 20 0 CCADLP COC(=O)[C@@H](C1CC1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592184510 359778291 /nfs/dbraw/zinc/77/82/91/359778291.db2.gz MOHKDQIBICHPQZ-CYBMUJFWSA-N 2 2 282.384 0.735 20 0 CCADLP CCN1CC[NH+]([C@H]2CCN(C(=O)CC3([NH3+])CCC3)C2)CC1 ZINC000592134337 359762802 /nfs/dbraw/zinc/76/28/02/359762802.db2.gz SEYKXJWOKDAIMV-AWEZNQCLSA-N 2 2 294.443 0.496 20 0 CCADLP CN(CC[NH+]1CCOCC1)Cc1nc(C(C)(C)[NH3+])no1 ZINC000563153844 291199968 /nfs/dbraw/zinc/19/99/68/291199968.db2.gz FMLGRZGQMKMWRX-UHFFFAOYSA-N 2 2 283.376 0.027 20 0 CCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000329403468 202322356 /nfs/dbraw/zinc/32/23/56/202322356.db2.gz WSWSOIKOBOBBQH-QWHCGFSZSA-N 2 2 292.383 0.664 20 0 CCADLP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)NC(=O)NC1CC1 ZINC000592487237 359854909 /nfs/dbraw/zinc/85/49/09/359854909.db2.gz RTLOWXMSDOOEEE-CQSZACIVSA-N 2 2 280.372 0.050 20 0 CCADLP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)NC(=O)NC1CC1 ZINC000592487237 359854916 /nfs/dbraw/zinc/85/49/16/359854916.db2.gz RTLOWXMSDOOEEE-CQSZACIVSA-N 2 2 280.372 0.050 20 0 CCADLP O=S1(=O)CC[C@@H](C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000329478697 202355042 /nfs/dbraw/zinc/35/50/42/202355042.db2.gz OQYFXLQDANZQDF-GXTWGEPZSA-N 2 2 296.392 0.969 20 0 CCADLP O=S1(=O)CC[C@@H](C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000329478697 202355043 /nfs/dbraw/zinc/35/50/43/202355043.db2.gz OQYFXLQDANZQDF-GXTWGEPZSA-N 2 2 296.392 0.969 20 0 CCADLP Cc1cccn2cc(CC(=O)N3CCO[C@H](C[NH3+])C3)[nH+]c12 ZINC000563211186 291206140 /nfs/dbraw/zinc/20/61/40/291206140.db2.gz OIDXKZCRVPKZRL-CYBMUJFWSA-N 2 2 288.351 0.371 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[NH2+]1 ZINC000621156363 366657585 /nfs/dbraw/zinc/65/75/85/366657585.db2.gz ZCCOJZWQGYYFAK-CHWSQXEVSA-N 2 2 276.384 0.902 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[NH2+]1 ZINC000621157335 366659710 /nfs/dbraw/zinc/65/97/10/366659710.db2.gz UFWFADQPGHAONO-ZDUSSCGKSA-N 2 2 264.373 0.809 20 0 CCADLP COC(=O)CC1([NH2+]C[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC000593023725 360015853 /nfs/dbraw/zinc/01/58/53/360015853.db2.gz YUZPFHVABSJPDM-GFCCVEGCSA-N 2 2 270.373 0.783 20 0 CCADLP COC(=O)CC1([NH2+]C[C@H]2CCC[N@H+]2C)CCOCC1 ZINC000593023725 360015860 /nfs/dbraw/zinc/01/58/60/360015860.db2.gz YUZPFHVABSJPDM-GFCCVEGCSA-N 2 2 270.373 0.783 20 0 CCADLP COCCn1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cn1 ZINC000563349865 291215366 /nfs/dbraw/zinc/21/53/66/291215366.db2.gz KKXYSCDVCOTDMB-AAEUAGOBSA-N 2 2 252.362 0.841 20 0 CCADLP COCCn1cc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cn1 ZINC000563349865 291215368 /nfs/dbraw/zinc/21/53/68/291215368.db2.gz KKXYSCDVCOTDMB-AAEUAGOBSA-N 2 2 252.362 0.841 20 0 CCADLP CSC[C@H]1CCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593906789 360203003 /nfs/dbraw/zinc/20/30/03/360203003.db2.gz JXUBFSNXBUCVSB-MNOVXSKESA-N 2 2 259.419 0.619 20 0 CCADLP COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593905983 360203378 /nfs/dbraw/zinc/20/33/78/360203378.db2.gz FMZPRBZOYQHYPR-NDBYEHHHSA-N 2 2 297.399 0.066 20 0 CCADLP CCOC(=O)c1cc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cn1C ZINC000593908843 360205570 /nfs/dbraw/zinc/20/55/70/360205570.db2.gz GOPBODHVJMZDMQ-LLVKDONJSA-N 2 2 296.371 0.419 20 0 CCADLP CNC(=O)NC(=O)CC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000593993698 360229825 /nfs/dbraw/zinc/22/98/25/360229825.db2.gz IOMSKNVWDMZSFI-WDEREUQCSA-N 2 2 268.361 0.001 20 0 CCADLP CNC(=O)NC(=O)CC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000593993698 360229831 /nfs/dbraw/zinc/22/98/31/360229831.db2.gz IOMSKNVWDMZSFI-WDEREUQCSA-N 2 2 268.361 0.001 20 0 CCADLP CNC(=O)NC(=O)CC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000593993698 360229837 /nfs/dbraw/zinc/22/98/37/360229837.db2.gz IOMSKNVWDMZSFI-WDEREUQCSA-N 2 2 268.361 0.001 20 0 CCADLP CNC(=O)NC(=O)CC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000593993698 360229841 /nfs/dbraw/zinc/22/98/41/360229841.db2.gz IOMSKNVWDMZSFI-WDEREUQCSA-N 2 2 268.361 0.001 20 0 CCADLP COC(=O)[C@@H]1C[C@H](O)C[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000594015298 360235272 /nfs/dbraw/zinc/23/52/72/360235272.db2.gz IGRYFXOROOXWFG-YPMHNXCESA-N 2 2 281.356 0.209 20 0 CCADLP COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000594015298 360235275 /nfs/dbraw/zinc/23/52/75/360235275.db2.gz IGRYFXOROOXWFG-YPMHNXCESA-N 2 2 281.356 0.209 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cn2cccn2)CC1 ZINC000177113137 189029871 /nfs/dbraw/zinc/02/98/71/189029871.db2.gz UJDFUKAJGZZSTC-UHFFFAOYSA-N 2 2 279.388 0.025 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3cccc(O)c3)CCN2C1=O ZINC000594737005 360371363 /nfs/dbraw/zinc/37/13/63/360371363.db2.gz VMXCICGCJMDTPT-YPMHNXCESA-N 2 2 261.325 0.136 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3cccc(O)c3)CCN2C1=O ZINC000594737005 360371364 /nfs/dbraw/zinc/37/13/64/360371364.db2.gz VMXCICGCJMDTPT-YPMHNXCESA-N 2 2 261.325 0.136 20 0 CCADLP CC(C)n1cc[nH+]c1CN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594874956 360405117 /nfs/dbraw/zinc/40/51/17/360405117.db2.gz AMHAFQATCDRXDY-VXGBXAGGSA-N 2 2 277.372 0.208 20 0 CCADLP COC(=O)CCN1CC[C@H]([NH+]2CCC([NH+](C)C)CC2)C1=O ZINC000595297120 360486668 /nfs/dbraw/zinc/48/66/68/360486668.db2.gz JZQDTUJVVCYDCA-ZDUSSCGKSA-N 2 2 297.399 0.176 20 0 CCADLP CS[C@@H]1CN(Cc2cn(C)c[nH+]2)C[C@H]1[NH+](C)C ZINC000595404832 360522503 /nfs/dbraw/zinc/52/25/03/360522503.db2.gz UHJOJJPSIJPVOS-VXGBXAGGSA-N 2 2 254.403 0.898 20 0 CCADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)N[C@H]1CC[NH2+]C1 ZINC000563458387 291232184 /nfs/dbraw/zinc/23/21/84/291232184.db2.gz SGFVNFCOOFGIDW-QMMMGPOBSA-N 2 2 291.277 0.607 20 0 CCADLP COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C[C@@H]1C ZINC000595819270 360666399 /nfs/dbraw/zinc/66/63/99/360666399.db2.gz FEAQNHGGWMORMP-MELADBBJSA-N 2 2 286.416 0.819 20 0 CCADLP COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C[C@@H]1C ZINC000595819270 360666402 /nfs/dbraw/zinc/66/64/02/360666402.db2.gz FEAQNHGGWMORMP-MELADBBJSA-N 2 2 286.416 0.819 20 0 CCADLP COC(=O)[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC000595819270 360666405 /nfs/dbraw/zinc/66/64/05/360666405.db2.gz FEAQNHGGWMORMP-MELADBBJSA-N 2 2 286.416 0.819 20 0 CCADLP COC(=O)[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC000595819270 360666408 /nfs/dbraw/zinc/66/64/08/360666408.db2.gz FEAQNHGGWMORMP-MELADBBJSA-N 2 2 286.416 0.819 20 0 CCADLP O=C(CC[NH2+]CC[NH+]1CCC(O)CC1)Nc1cccnc1 ZINC000563536316 291236028 /nfs/dbraw/zinc/23/60/28/291236028.db2.gz IZZMXRKSUAJFNM-UHFFFAOYSA-N 2 2 292.383 0.457 20 0 CCADLP COC1(C(=O)NCc2ccn3cc[nH+]c3c2)CC[NH2+]CC1 ZINC000178801041 189147138 /nfs/dbraw/zinc/14/71/38/189147138.db2.gz ACSWHVVPXUWQRW-UHFFFAOYSA-N 2 2 288.351 0.719 20 0 CCADLP CC[NH2+]CCCNC(=O)NCc1c[nH+]ccc1OC ZINC000563606995 291241201 /nfs/dbraw/zinc/24/12/01/291241201.db2.gz VJPNPRPTBRPFAJ-UHFFFAOYSA-N 2 2 266.345 0.889 20 0 CCADLP CCC[C@H]1C(=O)NCC[N@H+]1CCCn1cc[nH+]c1 ZINC000179654774 189210220 /nfs/dbraw/zinc/21/02/20/189210220.db2.gz IKLGDGFRGJBIIK-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP CCC[C@H]1C(=O)NCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000179654774 189210221 /nfs/dbraw/zinc/21/02/21/189210221.db2.gz IKLGDGFRGJBIIK-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP O=C(NC1CC[NH2+]CC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000563708369 291247686 /nfs/dbraw/zinc/24/76/86/291247686.db2.gz RORSNNSFAUDKPK-UHFFFAOYSA-N 2 2 271.324 0.749 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+]C2([C@@H](C)O)CC2)CC1 ZINC000597234184 361038082 /nfs/dbraw/zinc/03/80/82/361038082.db2.gz HUPHIRJAZBKANQ-GFCCVEGCSA-N 2 2 284.400 0.907 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2C[C@H](O)C2)CC1 ZINC000597245077 361040006 /nfs/dbraw/zinc/04/00/06/361040006.db2.gz FPGJBHOQRGDCCT-JOCQHMNTSA-N 2 2 270.373 0.517 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000563806360 291251237 /nfs/dbraw/zinc/25/12/37/291251237.db2.gz SBFMGTLMWNQWMC-JKSUJKDBSA-N 2 2 295.402 0.565 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000563806360 291251238 /nfs/dbraw/zinc/25/12/38/291251238.db2.gz SBFMGTLMWNQWMC-JKSUJKDBSA-N 2 2 295.402 0.565 20 0 CCADLP CCOc1cncc(C[NH2+]C[C@](C)(O)C[NH+](C)C)c1 ZINC000621342750 366739932 /nfs/dbraw/zinc/73/99/32/366739932.db2.gz IBBBSIRBSFIKLV-AWEZNQCLSA-N 2 2 267.373 0.883 20 0 CCADLP CCOc1cncc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000621344688 366742515 /nfs/dbraw/zinc/74/25/15/366742515.db2.gz PZDCROSQJNXFMD-AWEZNQCLSA-N 2 2 265.357 0.637 20 0 CCADLP CCOc1cncc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000621344688 366742521 /nfs/dbraw/zinc/74/25/21/366742521.db2.gz PZDCROSQJNXFMD-AWEZNQCLSA-N 2 2 265.357 0.637 20 0 CCADLP CCN(CC(F)(F)F)C(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000631826310 370692647 /nfs/dbraw/zinc/69/26/47/370692647.db2.gz KNGSIKLDXBVROB-UHFFFAOYSA-N 2 2 267.295 0.819 20 0 CCADLP CCN(CC(F)(F)F)C(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000631826310 370692654 /nfs/dbraw/zinc/69/26/54/370692654.db2.gz KNGSIKLDXBVROB-UHFFFAOYSA-N 2 2 267.295 0.819 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CC(C)(C)CC[C@H]1CO)C1CC1 ZINC000621381585 366756939 /nfs/dbraw/zinc/75/69/39/366756939.db2.gz XIINQUSMRGHSKL-UONOGXRCSA-N 2 2 270.417 0.924 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CC(C)(C)CC[C@H]1CO)C1CC1 ZINC000621381585 366756948 /nfs/dbraw/zinc/75/69/48/366756948.db2.gz XIINQUSMRGHSKL-UONOGXRCSA-N 2 2 270.417 0.924 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CC(C)(C)CC[C@H]1CO)C1CC1 ZINC000621381585 366756951 /nfs/dbraw/zinc/75/69/51/366756951.db2.gz XIINQUSMRGHSKL-UONOGXRCSA-N 2 2 270.417 0.924 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CC(C)(C)CC[C@H]1CO)C1CC1 ZINC000621381585 366756957 /nfs/dbraw/zinc/75/69/57/366756957.db2.gz XIINQUSMRGHSKL-UONOGXRCSA-N 2 2 270.417 0.924 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCC2CC(O)C2)C[C@@H](C)O1 ZINC000564210696 291270328 /nfs/dbraw/zinc/27/03/28/291270328.db2.gz HZPGJECSVOQYLG-RSFISVRASA-N 2 2 286.416 0.207 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2CCOC2(C)C)C[C@H](C)O1 ZINC000564289090 291273056 /nfs/dbraw/zinc/27/30/56/291273056.db2.gz LYPVRIKKHXYVPC-XJFOESAGSA-N 2 2 286.416 0.614 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2CCOC2(C)C)C[C@H](C)O1 ZINC000564289090 291273057 /nfs/dbraw/zinc/27/30/57/291273057.db2.gz LYPVRIKKHXYVPC-XJFOESAGSA-N 2 2 286.416 0.614 20 0 CCADLP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000345263508 296042099 /nfs/dbraw/zinc/04/20/99/296042099.db2.gz PQPCUGBPENLHMO-CHWSQXEVSA-N 2 2 283.416 0.554 20 0 CCADLP C[N@@H+]1CCO[C@@H]2CN(c3cc(NCC4CC4)[nH+]cn3)C[C@H]21 ZINC000301816333 201214728 /nfs/dbraw/zinc/21/47/28/201214728.db2.gz HBRPHSDSQGOLDV-CHWSQXEVSA-N 2 2 289.383 0.818 20 0 CCADLP C[N@H+]1CCO[C@@H]2CN(c3cc(NCC4CC4)[nH+]cn3)C[C@H]21 ZINC000301816333 201214732 /nfs/dbraw/zinc/21/47/32/201214732.db2.gz HBRPHSDSQGOLDV-CHWSQXEVSA-N 2 2 289.383 0.818 20 0 CCADLP CC[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])[C@@H]1CCCCO1 ZINC000655976037 412723088 /nfs/dbraw/zinc/72/30/88/412723088.db2.gz XYMMYOWMRQNYMA-IHRRRGAJSA-N 2 2 298.431 0.618 20 0 CCADLP CC[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])[C@@H]1CCCCO1 ZINC000655976037 412723094 /nfs/dbraw/zinc/72/30/94/412723094.db2.gz XYMMYOWMRQNYMA-IHRRRGAJSA-N 2 2 298.431 0.618 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000599316188 361649899 /nfs/dbraw/zinc/64/98/99/361649899.db2.gz MEMWCCJMPAWHCL-STQMWFEESA-N 2 2 272.389 0.574 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000599316188 361649902 /nfs/dbraw/zinc/64/99/02/361649902.db2.gz MEMWCCJMPAWHCL-STQMWFEESA-N 2 2 272.389 0.574 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000599316188 361649908 /nfs/dbraw/zinc/64/99/08/361649908.db2.gz MEMWCCJMPAWHCL-STQMWFEESA-N 2 2 272.389 0.574 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000599316188 361649910 /nfs/dbraw/zinc/64/99/10/361649910.db2.gz MEMWCCJMPAWHCL-STQMWFEESA-N 2 2 272.389 0.574 20 0 CCADLP CCOC(=O)C[C@@H](O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000599339828 361661450 /nfs/dbraw/zinc/66/14/50/361661450.db2.gz NHFRCBOMUVLKDU-NWDGAFQWSA-N 2 2 281.356 0.524 20 0 CCADLP CCOC(=O)C[C@@H](O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000599339828 361661455 /nfs/dbraw/zinc/66/14/55/361661455.db2.gz NHFRCBOMUVLKDU-NWDGAFQWSA-N 2 2 281.356 0.524 20 0 CCADLP COC(=O)CCCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000599385757 361679666 /nfs/dbraw/zinc/67/96/66/361679666.db2.gz LSLLBKKGYMCZIS-UHFFFAOYSA-N 2 2 266.345 0.875 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCc2ccon2)CC1 ZINC000611974073 363819881 /nfs/dbraw/zinc/81/98/81/363819881.db2.gz MAOICDGNNCHMHF-UHFFFAOYSA-N 2 2 294.399 0.749 20 0 CCADLP C[N@H+](CCOCC[NH3+])Cc1nc(C2CCC2)no1 ZINC000631830459 370698060 /nfs/dbraw/zinc/69/80/60/370698060.db2.gz SLRRMBAYZMLTGI-UHFFFAOYSA-N 2 2 254.334 0.744 20 0 CCADLP C[N@@H+](CCOCC[NH3+])Cc1nc(C2CCC2)no1 ZINC000631830459 370698067 /nfs/dbraw/zinc/69/80/67/370698067.db2.gz SLRRMBAYZMLTGI-UHFFFAOYSA-N 2 2 254.334 0.744 20 0 CCADLP C[C@]1(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)CC[NH2+]C1 ZINC000612903422 364038955 /nfs/dbraw/zinc/03/89/55/364038955.db2.gz YZVIMGVRSMBQLQ-GWCFXTLKSA-N 2 2 263.345 0.249 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612970358 364058502 /nfs/dbraw/zinc/05/85/02/364058502.db2.gz NEVKMMNGRNHIEE-SNVBAGLBSA-N 2 2 263.345 0.361 20 0 CCADLP Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839856 370705360 /nfs/dbraw/zinc/70/53/60/370705360.db2.gz LTSXIXRTRMKZKQ-BXKDBHETSA-N 2 2 279.388 0.502 20 0 CCADLP Cc1nn(C)c(C)c1NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839856 370705366 /nfs/dbraw/zinc/70/53/66/370705366.db2.gz LTSXIXRTRMKZKQ-BXKDBHETSA-N 2 2 279.388 0.502 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H](O)COc1ccccc1 ZINC000564824422 291303524 /nfs/dbraw/zinc/30/35/24/291303524.db2.gz ADXCVLOYWRSHSQ-KFWWJZLASA-N 2 2 294.395 0.783 20 0 CCADLP c1cnc(CCN2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)cn1 ZINC000631874101 370731932 /nfs/dbraw/zinc/73/19/32/370731932.db2.gz XJGLVRGWQGQMQP-OAHLLOKOSA-N 2 2 289.427 0.636 20 0 CCADLP CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631863739 370723178 /nfs/dbraw/zinc/72/31/78/370723178.db2.gz DSBSMKSZKZGXMV-NEPJUHHUSA-N 2 2 271.405 0.336 20 0 CCADLP C[C@H](C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)CS(C)(=O)=O ZINC000631886876 370737955 /nfs/dbraw/zinc/73/79/55/370737955.db2.gz KKJFXUKDPGHVQJ-AGIUHOORSA-N 2 2 274.430 0.741 20 0 CCADLP C[C@H](C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)CS(C)(=O)=O ZINC000631886876 370737961 /nfs/dbraw/zinc/73/79/61/370737961.db2.gz KKJFXUKDPGHVQJ-AGIUHOORSA-N 2 2 274.430 0.741 20 0 CCADLP C[C@H](C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)CS(C)(=O)=O ZINC000631886877 370738224 /nfs/dbraw/zinc/73/82/24/370738224.db2.gz KKJFXUKDPGHVQJ-FRRDWIJNSA-N 2 2 274.430 0.741 20 0 CCADLP C[C@H](C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)CS(C)(=O)=O ZINC000631886877 370738230 /nfs/dbraw/zinc/73/82/30/370738230.db2.gz KKJFXUKDPGHVQJ-FRRDWIJNSA-N 2 2 274.430 0.741 20 0 CCADLP CC(C)CNC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631888308 370738437 /nfs/dbraw/zinc/73/84/37/370738437.db2.gz YASCVXACEXVRSD-CHWSQXEVSA-N 2 2 253.390 0.833 20 0 CCADLP CC(C)CNC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631888308 370738441 /nfs/dbraw/zinc/73/84/41/370738441.db2.gz YASCVXACEXVRSD-CHWSQXEVSA-N 2 2 253.390 0.833 20 0 CCADLP Cn1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1=O ZINC000631887970 370738573 /nfs/dbraw/zinc/73/85/73/370738573.db2.gz SBZWNZBAQGFLSE-UONOGXRCSA-N 2 2 261.369 0.959 20 0 CCADLP Cn1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1=O ZINC000631887970 370738575 /nfs/dbraw/zinc/73/85/75/370738575.db2.gz SBZWNZBAQGFLSE-UONOGXRCSA-N 2 2 261.369 0.959 20 0 CCADLP CS(=O)(=O)CC1(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)CC1 ZINC000631890921 370739441 /nfs/dbraw/zinc/73/94/41/370739441.db2.gz UVTCUHCAQFRSRG-CHWSQXEVSA-N 2 2 286.441 0.885 20 0 CCADLP CS(=O)(=O)CC1(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)CC1 ZINC000631890921 370739444 /nfs/dbraw/zinc/73/94/44/370739444.db2.gz 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367795119 /nfs/dbraw/zinc/79/51/19/367795119.db2.gz OHOCYIPKPLQXBA-CQSZACIVSA-N 2 2 291.399 0.102 20 0 CCADLP O[C@@H]1CC[N@H+](CC[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000624228206 367796021 /nfs/dbraw/zinc/79/60/21/367796021.db2.gz LFBRMHPUKUKZLF-MOENNCHZSA-N 2 2 296.333 0.879 20 0 CCADLP O[C@@H]1CC[N@@H+](CC[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000624228206 367796028 /nfs/dbraw/zinc/79/60/28/367796028.db2.gz LFBRMHPUKUKZLF-MOENNCHZSA-N 2 2 296.333 0.879 20 0 CCADLP Cc1nc(NCC[N@@H+]2CC[C@@H](O)C2)c(C)c(C)[nH+]1 ZINC000624678036 367951548 /nfs/dbraw/zinc/95/15/48/367951548.db2.gz MWXNDPTWATZHGJ-GFCCVEGCSA-N 2 2 250.346 0.302 20 0 CCADLP Cc1nc(NCC[N@H+]2CC[C@@H](O)C2)c(C)c(C)[nH+]1 ZINC000624678036 367951552 /nfs/dbraw/zinc/95/15/52/367951552.db2.gz MWXNDPTWATZHGJ-GFCCVEGCSA-N 2 2 250.346 0.302 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656200096 412764418 /nfs/dbraw/zinc/76/44/18/412764418.db2.gz JMSGGUZGGYACON-IGQOVBAYSA-N 3 2 255.406 0.683 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CC(=O)NCC(C)(C)C)CC1 ZINC000625264808 368122878 /nfs/dbraw/zinc/12/28/78/368122878.db2.gz MZKMMLQUWDCLRE-UHFFFAOYSA-N 2 2 293.415 0.704 20 0 CCADLP c1c[nH+]c(N2CC[NH+](CCOC3CCOCC3)CC2)[nH]1 ZINC000625374549 368167979 /nfs/dbraw/zinc/16/79/79/368167979.db2.gz SESYLXASZIMIRI-UHFFFAOYSA-N 2 2 280.372 0.727 20 0 CCADLP Cn1cc(CC[NH+]2CCC([NH+]3CCOCC3)CC2)cn1 ZINC000625545716 368239012 /nfs/dbraw/zinc/23/90/12/368239012.db2.gz GSEBVARYCOJVTH-UHFFFAOYSA-N 2 2 278.400 0.759 20 0 CCADLP [NH3+]CCCOCCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000625862446 368349021 /nfs/dbraw/zinc/34/90/21/368349021.db2.gz HBEGHMZVJINXPF-UHFFFAOYSA-N 2 2 277.328 0.821 20 0 CCADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000335504013 212184900 /nfs/dbraw/zinc/18/49/00/212184900.db2.gz FUSXBUQUYRCDLT-JQWIXIFHSA-N 2 2 258.325 0.825 20 0 CCADLP Cc1cc(C)c(CNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])c[nH+]1 ZINC000566561535 291423631 /nfs/dbraw/zinc/42/36/31/291423631.db2.gz ITEKGUBPBDRRRA-ZYHUDNBSSA-N 2 2 292.383 0.557 20 0 CCADLP Cc1cc(NC(=O)NCC[N@@H+]2CC[C@H](O)C2)cc[nH+]1 ZINC000626468643 368556168 /nfs/dbraw/zinc/55/61/68/368556168.db2.gz QDFRGJTXGIKHFF-LBPRGKRZSA-N 2 2 264.329 0.000 20 0 CCADLP Cc1cc(NC(=O)NCC[N@H+]2CC[C@H](O)C2)cc[nH+]1 ZINC000626468643 368556175 /nfs/dbraw/zinc/55/61/75/368556175.db2.gz QDFRGJTXGIKHFF-LBPRGKRZSA-N 2 2 264.329 0.000 20 0 CCADLP CCN(CC[NH3+])C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000626852534 368662260 /nfs/dbraw/zinc/66/22/60/368662260.db2.gz KPOOFCMMVNKVJL-UHFFFAOYSA-N 2 2 275.312 0.080 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000626940471 368690751 /nfs/dbraw/zinc/69/07/51/368690751.db2.gz ZOLPKFOOCYERCD-IJLUTSLNSA-N 2 2 265.361 0.711 20 0 CCADLP CN(CCOCC[NH3+])C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000627000126 368726161 /nfs/dbraw/zinc/72/61/61/368726161.db2.gz KJFTVYZDDSLMPS-UHFFFAOYSA-N 2 2 291.355 0.451 20 0 CCADLP CCN(CC[NH3+])C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000626970263 368703396 /nfs/dbraw/zinc/70/33/96/368703396.db2.gz IVBADWZJPOYASE-RYUDHWBXSA-N 2 2 272.393 0.086 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[NH2+][C@H]2C)c2[nH+]ccn21 ZINC000627052740 368758859 /nfs/dbraw/zinc/75/88/59/368758859.db2.gz STTKESYUTDCMRT-YTWAJWBKSA-N 2 2 263.345 0.939 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000627078334 368776335 /nfs/dbraw/zinc/77/63/35/368776335.db2.gz NMILKIVRSZGKSQ-KBPBESRZSA-N 2 2 292.383 0.316 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000627078334 368776338 /nfs/dbraw/zinc/77/63/38/368776338.db2.gz NMILKIVRSZGKSQ-KBPBESRZSA-N 2 2 292.383 0.316 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000627040220 368750897 /nfs/dbraw/zinc/75/08/97/368750897.db2.gz DMIXLEJGEMDKDY-IVZWLZJFSA-N 2 2 263.345 0.317 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000627040220 368750898 /nfs/dbraw/zinc/75/08/98/368750898.db2.gz DMIXLEJGEMDKDY-IVZWLZJFSA-N 2 2 263.345 0.317 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000627040221 368750993 /nfs/dbraw/zinc/75/09/93/368750993.db2.gz DMIXLEJGEMDKDY-LPEHRKFASA-N 2 2 263.345 0.317 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000627040221 368750994 /nfs/dbraw/zinc/75/09/94/368750994.db2.gz DMIXLEJGEMDKDY-LPEHRKFASA-N 2 2 263.345 0.317 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627052026 368758064 /nfs/dbraw/zinc/75/80/64/368758064.db2.gz JMTCXSZMQKNBRB-VHSXEESVSA-N 2 2 251.334 0.625 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCCC1CC[NH2+]CC1 ZINC000627112605 368805302 /nfs/dbraw/zinc/80/53/02/368805302.db2.gz YYIVAKOAQKWIQN-ZDUSSCGKSA-N 2 2 284.404 0.006 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCCC1CC[NH2+]CC1 ZINC000627112605 368805307 /nfs/dbraw/zinc/80/53/07/368805307.db2.gz YYIVAKOAQKWIQN-ZDUSSCGKSA-N 2 2 284.404 0.006 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000627091903 368791127 /nfs/dbraw/zinc/79/11/27/368791127.db2.gz DHOGTIWRAQSFQZ-IHRRRGAJSA-N 2 2 298.431 0.381 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000627091903 368791131 /nfs/dbraw/zinc/79/11/31/368791131.db2.gz DHOGTIWRAQSFQZ-IHRRRGAJSA-N 2 2 298.431 0.381 20 0 CCADLP C[C@H](CC(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1)n1cc[nH+]c1 ZINC000627271270 368938866 /nfs/dbraw/zinc/93/88/66/368938866.db2.gz TXHLUBLJYNQKDV-HZSPNIEDSA-N 2 2 292.383 0.502 20 0 CCADLP C[C@H](CC(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1)n1cc[nH+]c1 ZINC000627271270 368938873 /nfs/dbraw/zinc/93/88/73/368938873.db2.gz TXHLUBLJYNQKDV-HZSPNIEDSA-N 2 2 292.383 0.502 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000628061243 369173258 /nfs/dbraw/zinc/17/32/58/369173258.db2.gz GALRWJZDOPWFPZ-OLZOCXBDSA-N 2 2 280.372 0.417 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000628061243 369173264 /nfs/dbraw/zinc/17/32/64/369173264.db2.gz GALRWJZDOPWFPZ-OLZOCXBDSA-N 2 2 280.372 0.417 20 0 CCADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2ccon2)CC1 ZINC000330744524 203180674 /nfs/dbraw/zinc/18/06/74/203180674.db2.gz DHSVCFGHIDUYTB-UHFFFAOYSA-N 2 2 281.356 0.334 20 0 CCADLP Cc1c[nH]c(CN2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)[nH+]1 ZINC000628314041 369239027 /nfs/dbraw/zinc/23/90/27/369239027.db2.gz KWVDHTXNMHVMDY-VXGBXAGGSA-N 2 2 252.362 0.605 20 0 CCADLP Cc1c[nH]c(CN2C[C@@H](C)[N@H+](CCO)C[C@H]2C)[nH+]1 ZINC000628314041 369239035 /nfs/dbraw/zinc/23/90/35/369239035.db2.gz KWVDHTXNMHVMDY-VXGBXAGGSA-N 2 2 252.362 0.605 20 0 CCADLP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628913624 369449748 /nfs/dbraw/zinc/44/97/48/369449748.db2.gz BNVCJFCWNSHOBY-VXGBXAGGSA-N 2 2 271.405 0.600 20 0 CCADLP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628913624 369449751 /nfs/dbraw/zinc/44/97/51/369449751.db2.gz BNVCJFCWNSHOBY-VXGBXAGGSA-N 2 2 271.405 0.600 20 0 CCADLP O=C([C@H]1CSC[NH2+]1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000165555328 296144095 /nfs/dbraw/zinc/14/40/95/296144095.db2.gz MMMVXJIIGBHPJT-NXEZZACHSA-N 2 2 266.370 0.778 20 0 CCADLP CC1CC[NH+](CC(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000628919865 369464038 /nfs/dbraw/zinc/46/40/38/369464038.db2.gz SXCDFGYRDQNIJE-ZDUSSCGKSA-N 2 2 269.389 0.165 20 0 CCADLP CC1CC[NH+](CC(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000628919865 369464043 /nfs/dbraw/zinc/46/40/43/369464043.db2.gz SXCDFGYRDQNIJE-ZDUSSCGKSA-N 2 2 269.389 0.165 20 0 CCADLP Cn1cc(C[NH2+][C@@H]2CC[NH2+]C2)c(-c2cccnc2)n1 ZINC000629409667 369667548 /nfs/dbraw/zinc/66/75/48/369667548.db2.gz MZVOUTRTOAQVQN-CYBMUJFWSA-N 2 2 257.341 0.934 20 0 CCADLP CN1CC[C@H]([N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1=O ZINC000629564058 369710157 /nfs/dbraw/zinc/71/01/57/369710157.db2.gz RETPVWWFBLCVEP-AEJSXWLSSA-N 2 2 279.306 0.676 20 0 CCADLP CN1CC[C@H]([N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1=O ZINC000629564058 369710163 /nfs/dbraw/zinc/71/01/63/369710163.db2.gz RETPVWWFBLCVEP-AEJSXWLSSA-N 2 2 279.306 0.676 20 0 CCADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629564536 369710480 /nfs/dbraw/zinc/71/04/80/369710480.db2.gz SNAUFMXMCVZJJD-GJMOJQLCSA-N 2 2 253.268 0.319 20 0 CCADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629564536 369710483 /nfs/dbraw/zinc/71/04/83/369710483.db2.gz SNAUFMXMCVZJJD-GJMOJQLCSA-N 2 2 253.268 0.319 20 0 CCADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629562171 369710808 /nfs/dbraw/zinc/71/08/08/369710808.db2.gz MFPUFJAPCYSPHN-HRDYMLBCSA-N 2 2 267.295 0.709 20 0 CCADLP CC[C@H](C(N)=O)[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629562171 369710811 /nfs/dbraw/zinc/71/08/11/369710811.db2.gz MFPUFJAPCYSPHN-HRDYMLBCSA-N 2 2 267.295 0.709 20 0 CCADLP CCO[C@@H](C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)C1CC1 ZINC000629518226 369689240 /nfs/dbraw/zinc/68/92/40/369689240.db2.gz JHYVHUCOZKGOLD-GJZGRUSLSA-N 2 2 295.427 0.698 20 0 CCADLP CCO[C@@H](C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)C1CC1 ZINC000629518226 369689244 /nfs/dbraw/zinc/68/92/44/369689244.db2.gz JHYVHUCOZKGOLD-GJZGRUSLSA-N 2 2 295.427 0.698 20 0 CCADLP Cc1cncc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000629518465 369689472 /nfs/dbraw/zinc/68/94/72/369689472.db2.gz MCSDWLWRZKPYFA-HNNXBMFYSA-N 2 2 288.395 0.786 20 0 CCADLP Cc1cncc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000629518465 369689474 /nfs/dbraw/zinc/68/94/74/369689474.db2.gz MCSDWLWRZKPYFA-HNNXBMFYSA-N 2 2 288.395 0.786 20 0 CCADLP C[NH2+]CCOCC[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000629530348 369692381 /nfs/dbraw/zinc/69/23/81/369692381.db2.gz DEAGWYKMTZJTKX-NSHDSACASA-N 2 2 281.385 0.781 20 0 CCADLP CCO[C@@H]1C[N@H+](Cc2c(C)nnn2CC)C[C@H]1C[NH3+] ZINC000629535154 369695135 /nfs/dbraw/zinc/69/51/35/369695135.db2.gz CLNNVSFBCOSQHO-DGCLKSJQSA-N 2 2 267.377 0.402 20 0 CCADLP CCO[C@@H]1C[N@@H+](Cc2c(C)nnn2CC)C[C@H]1C[NH3+] ZINC000629535154 369695139 /nfs/dbraw/zinc/69/51/39/369695139.db2.gz CLNNVSFBCOSQHO-DGCLKSJQSA-N 2 2 267.377 0.402 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)CC1CCCC1 ZINC000629607218 369737897 /nfs/dbraw/zinc/73/78/97/369737897.db2.gz PBWYJGVYCJDDDM-CABCVRRESA-N 2 2 297.443 0.857 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)CC1CCCC1 ZINC000629607218 369737902 /nfs/dbraw/zinc/73/79/02/369737902.db2.gz PBWYJGVYCJDDDM-CABCVRRESA-N 2 2 297.443 0.857 20 0 CCADLP O=C(CC[NH2+]CC[N@H+]1CC[C@H](O)C1)Nc1ccccc1 ZINC000629617229 369741467 /nfs/dbraw/zinc/74/14/67/369741467.db2.gz HWUPHWHTGZLSHE-AWEZNQCLSA-N 2 2 277.368 0.671 20 0 CCADLP O=C(CC[NH2+]CC[N@@H+]1CC[C@H](O)C1)Nc1ccccc1 ZINC000629617229 369741471 /nfs/dbraw/zinc/74/14/71/369741471.db2.gz HWUPHWHTGZLSHE-AWEZNQCLSA-N 2 2 277.368 0.671 20 0 CCADLP CNS(=O)(=O)C[C@H]1CCC[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000629673943 369752878 /nfs/dbraw/zinc/75/28/78/369752878.db2.gz QUUJYQZCPUDDCN-STQMWFEESA-N 2 2 291.461 0.621 20 0 CCADLP CNS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000629673943 369752882 /nfs/dbraw/zinc/75/28/82/369752882.db2.gz QUUJYQZCPUDDCN-STQMWFEESA-N 2 2 291.461 0.621 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2nnnn2CC2CC2)C1 ZINC000567406768 291482238 /nfs/dbraw/zinc/48/22/38/291482238.db2.gz RSWCBBLOTDKOFC-GHMZBOCLSA-N 2 2 250.350 0.443 20 0 CCADLP C[C@@H]1[C@H](C(F)(F)F)OCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000629579784 369723732 /nfs/dbraw/zinc/72/37/32/369723732.db2.gz HYVUFTVSJOXRLK-GHMZBOCLSA-N 2 2 281.322 0.543 20 0 CCADLP C[C@@H]1[C@H](C(F)(F)F)OCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000629579784 369723736 /nfs/dbraw/zinc/72/37/36/369723736.db2.gz HYVUFTVSJOXRLK-GHMZBOCLSA-N 2 2 281.322 0.543 20 0 CCADLP Cc1cc(NCC[NH2+]CCC(N)=O)nc(C(C)C)[nH+]1 ZINC000629594222 369732897 /nfs/dbraw/zinc/73/28/97/369732897.db2.gz MRKIGKLJCXKLAY-UHFFFAOYSA-N 2 2 265.361 0.207 20 0 CCADLP C[C@H](C(=O)C1CC1)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000630603723 370203134 /nfs/dbraw/zinc/20/31/34/370203134.db2.gz LBOFIEUGRPMQON-LLVKDONJSA-N 2 2 291.399 0.784 20 0 CCADLP c1c(C[NH2+]CCC[NH+]2CCCC2)nnn1C[C@@H]1CCOC1 ZINC000631036077 370365475 /nfs/dbraw/zinc/36/54/75/370365475.db2.gz WAGIIKWZBKSNDL-AWEZNQCLSA-N 2 2 293.415 0.890 20 0 CCADLP CC(C)n1ncnc1C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000631067262 370375242 /nfs/dbraw/zinc/37/52/42/370375242.db2.gz JSASZJCDAJDJEA-CYBMUJFWSA-N 2 2 280.420 0.585 20 0 CCADLP NC(=O)C1(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CCCC1 ZINC000567641624 291497620 /nfs/dbraw/zinc/49/76/20/291497620.db2.gz WYUYIHXKMPCBOY-CHWSQXEVSA-N 2 2 281.400 0.389 20 0 CCADLP CC[NH+](CC)CCN(CCOC)c1nc(C)[nH+]c(N)n1 ZINC000631154016 370404208 /nfs/dbraw/zinc/40/42/08/370404208.db2.gz CEELEZMNQSLXLH-UHFFFAOYSA-N 2 2 282.392 0.387 20 0 CCADLP C[NH+](C)C[C@@](C)(O)CNc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631179173 370411979 /nfs/dbraw/zinc/41/19/79/370411979.db2.gz PAFFWYPUSUZELT-HNNXBMFYSA-N 2 2 289.383 0.982 20 0 CCADLP Cc1nc(N2CC[C@@H](c3[nH+]ccn3C)C2)nc(N)[nH+]1 ZINC000631181366 370413469 /nfs/dbraw/zinc/41/34/69/370413469.db2.gz CIRWULNGULCCRI-SECBINFHSA-N 2 2 259.317 0.320 20 0 CCADLP [NH3+][C@H](C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)c1cscn1 ZINC000567669512 291499225 /nfs/dbraw/zinc/49/92/25/291499225.db2.gz UNCDXSXNGSIQHB-DKIAZLNASA-N 2 2 266.370 0.339 20 0 CCADLP CN(C(=O)CCCCO)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000631246412 370437348 /nfs/dbraw/zinc/43/73/48/370437348.db2.gz BZWYQEUQPXCVGW-OAHLLOKOSA-N 2 2 297.443 0.776 20 0 CCADLP CN(C(=O)CCCCO)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000631246412 370437353 /nfs/dbraw/zinc/43/73/53/370437353.db2.gz BZWYQEUQPXCVGW-OAHLLOKOSA-N 2 2 297.443 0.776 20 0 CCADLP Cc1noc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000631363913 370498857 /nfs/dbraw/zinc/49/88/57/370498857.db2.gz QSNRXBOQFPOPKY-LLVKDONJSA-N 2 2 293.371 0.276 20 0 CCADLP Cc1noc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000631363913 370498860 /nfs/dbraw/zinc/49/88/60/370498860.db2.gz QSNRXBOQFPOPKY-LLVKDONJSA-N 2 2 293.371 0.276 20 0 CCADLP C[C@H](C[NH2+]CC1(O)CCCC1)C[NH+]1CCOCC1 ZINC000567691438 291503211 /nfs/dbraw/zinc/50/32/11/291503211.db2.gz XHXUNOXPRRLUGT-CYBMUJFWSA-N 2 2 256.390 0.849 20 0 CCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)C2([NH+]3CCOCC3)CC2)C1 ZINC000631557297 370591052 /nfs/dbraw/zinc/59/10/52/370591052.db2.gz BOQXXHYPPBCWEL-AWEZNQCLSA-N 2 2 295.427 0.651 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C2([NH+]3CCOCC3)CC2)C1 ZINC000631557297 370591058 /nfs/dbraw/zinc/59/10/58/370591058.db2.gz BOQXXHYPPBCWEL-AWEZNQCLSA-N 2 2 295.427 0.651 20 0 CCADLP CC[C@@]1(O)CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000640036715 376205636 /nfs/dbraw/zinc/20/56/36/376205636.db2.gz WLXKGOUOGLQLBH-ZIAGYGMSSA-N 2 2 256.390 0.678 20 0 CCADLP CC[C@@]1(O)CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000640036715 376205641 /nfs/dbraw/zinc/20/56/41/376205641.db2.gz WLXKGOUOGLQLBH-ZIAGYGMSSA-N 2 2 256.390 0.678 20 0 CCADLP CC[C@@]1(O)CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000640036715 376205645 /nfs/dbraw/zinc/20/56/45/376205645.db2.gz WLXKGOUOGLQLBH-ZIAGYGMSSA-N 2 2 256.390 0.678 20 0 CCADLP CC[C@@]1(O)CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000640036715 376205651 /nfs/dbraw/zinc/20/56/51/376205651.db2.gz WLXKGOUOGLQLBH-ZIAGYGMSSA-N 2 2 256.390 0.678 20 0 CCADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCCN1CCOCC1 ZINC000331972568 204348363 /nfs/dbraw/zinc/34/83/63/204348363.db2.gz JWTCSJHHBWVTJV-UONOGXRCSA-N 2 2 255.406 0.958 20 0 CCADLP [NH3+][C@H]1CCCCC[C@H]1NCCC[NH+]1CCOCC1 ZINC000331972568 204348367 /nfs/dbraw/zinc/34/83/67/204348367.db2.gz JWTCSJHHBWVTJV-UONOGXRCSA-N 2 2 255.406 0.958 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633105103 371400288 /nfs/dbraw/zinc/40/02/88/371400288.db2.gz FLDDLHUBZOGWLZ-MNOVXSKESA-N 2 2 293.371 0.096 20 0 CCADLP CCN(C)C(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000337506646 284274212 /nfs/dbraw/zinc/27/42/12/284274212.db2.gz PHGNIRJIZLLOIK-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP CCN(C)C(=O)C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000337506646 284274213 /nfs/dbraw/zinc/27/42/13/284274213.db2.gz PHGNIRJIZLLOIK-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000633603901 371621206 /nfs/dbraw/zinc/62/12/06/371621206.db2.gz XZCGDCZZZVCLIR-UHFFFAOYSA-N 2 2 276.344 0.440 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000633603901 371621212 /nfs/dbraw/zinc/62/12/12/371621212.db2.gz XZCGDCZZZVCLIR-UHFFFAOYSA-N 2 2 276.344 0.440 20 0 CCADLP CCN1CC[N@H+](CCCN2CC[NH+](C(C)C)CC2)CC1=O ZINC000337329311 214009893 /nfs/dbraw/zinc/00/98/93/214009893.db2.gz ZPTQNXVEINWALA-UHFFFAOYSA-N 2 2 296.459 0.567 20 0 CCADLP CCN1CC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)CC1=O ZINC000337329311 214009895 /nfs/dbraw/zinc/00/98/95/214009895.db2.gz ZPTQNXVEINWALA-UHFFFAOYSA-N 2 2 296.459 0.567 20 0 CCADLP [NH3+]CC[N@@H+](Cc1cccc2ncccc12)C[C@H](O)CO ZINC000634688254 372134367 /nfs/dbraw/zinc/13/43/67/372134367.db2.gz MXGCXPMNZJMPLP-ZDUSSCGKSA-N 2 2 275.352 0.349 20 0 CCADLP [NH3+]CC[N@H+](Cc1cccc2ncccc12)C[C@H](O)CO ZINC000634688254 372134375 /nfs/dbraw/zinc/13/43/75/372134375.db2.gz MXGCXPMNZJMPLP-ZDUSSCGKSA-N 2 2 275.352 0.349 20 0 CCADLP C[C@](O)(C[C@H](O)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000634714814 372158495 /nfs/dbraw/zinc/15/84/95/372158495.db2.gz RJZHROFHYKQTMP-XUJVJEKNSA-N 2 2 279.384 0.769 20 0 CCADLP C[C@](O)(C[C@H](O)C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000634714814 372158499 /nfs/dbraw/zinc/15/84/99/372158499.db2.gz RJZHROFHYKQTMP-XUJVJEKNSA-N 2 2 279.384 0.769 20 0 CCADLP C[C@@H]1CN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)CC[NH2+]1 ZINC000634807499 372247669 /nfs/dbraw/zinc/24/76/69/372247669.db2.gz PCOWUIBFZXTYRS-GFCCVEGCSA-N 2 2 291.399 0.626 20 0 CCADLP COc1c(C)[nH+]cnc1N1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000634812142 372256513 /nfs/dbraw/zinc/25/65/13/372256513.db2.gz AYSREHRXLMZYBQ-NSHDSACASA-N 2 2 289.343 0.295 20 0 CCADLP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCCS(=O)(=O)CC1 ZINC000634957528 372312585 /nfs/dbraw/zinc/31/25/85/372312585.db2.gz PVHPCWPEQXVHCX-NEPJUHHUSA-N 2 2 262.419 0.884 20 0 CCADLP C(C[NH+]1CCOCC1)N(CC1CC1)CC12CC(C1)C[NH2+]2 ZINC000634996632 372332066 /nfs/dbraw/zinc/33/20/66/372332066.db2.gz PTEXNHRGQXUUGV-UHFFFAOYSA-N 2 2 279.428 0.783 20 0 CCADLP Cn1ccc(N2CCC[C@@H]([NH2+]CC34CC(C3)C[NH2+]4)C2=O)n1 ZINC000634995705 372332286 /nfs/dbraw/zinc/33/22/86/372332286.db2.gz MTUODUALRUNTPV-MQYJIDSJSA-N 2 2 289.383 0.257 20 0 CCADLP CCCn1cc(C[NH+]2CCC([NH2+]CCO)CC2)cn1 ZINC000635001157 372338382 /nfs/dbraw/zinc/33/83/82/372338382.db2.gz IMDAZLSAWRKFRC-UHFFFAOYSA-N 2 2 266.389 0.839 20 0 CCADLP C[C@H](C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[NH+](C)C ZINC000635115772 372377428 /nfs/dbraw/zinc/37/74/28/372377428.db2.gz JRQWZXUMXKOCQV-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)C1(C[NH+](C)C)CC1 ZINC000635128035 372383720 /nfs/dbraw/zinc/38/37/20/372383720.db2.gz YEFHLGGZLMHDOU-UHFFFAOYSA-N 2 2 250.346 0.720 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635312694 372456634 /nfs/dbraw/zinc/45/66/34/372456634.db2.gz DBEKPYZNEPIGJN-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635312694 372456639 /nfs/dbraw/zinc/45/66/39/372456639.db2.gz DBEKPYZNEPIGJN-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC000635312426 372456983 /nfs/dbraw/zinc/45/69/83/372456983.db2.gz AALXDBAZKFZSBG-ZDUSSCGKSA-N 2 2 285.432 0.801 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000635312426 372456988 /nfs/dbraw/zinc/45/69/88/372456988.db2.gz AALXDBAZKFZSBG-ZDUSSCGKSA-N 2 2 285.432 0.801 20 0 CCADLP C[NH+](C)CC1(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000635494112 372558763 /nfs/dbraw/zinc/55/87/63/372558763.db2.gz GKXBCPSMSJIXGG-UHFFFAOYSA-N 2 2 283.416 0.555 20 0 CCADLP C[NH+](C)CC1(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000635494112 372558769 /nfs/dbraw/zinc/55/87/69/372558769.db2.gz GKXBCPSMSJIXGG-UHFFFAOYSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@H](C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)[NH+](C)C ZINC000635494558 372559849 /nfs/dbraw/zinc/55/98/49/372559849.db2.gz DWMBDBVKYGJRDH-VXGBXAGGSA-N 2 2 250.346 0.997 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC000635500216 372563288 /nfs/dbraw/zinc/56/32/88/372563288.db2.gz DIUSWHBHBZKVST-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC000635500216 372563290 /nfs/dbraw/zinc/56/32/90/372563290.db2.gz DIUSWHBHBZKVST-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635500216 372563292 /nfs/dbraw/zinc/56/32/92/372563292.db2.gz DIUSWHBHBZKVST-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635500216 372563294 /nfs/dbraw/zinc/56/32/94/372563294.db2.gz DIUSWHBHBZKVST-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635479993 372546907 /nfs/dbraw/zinc/54/69/07/372546907.db2.gz UVYDGIWMNWUZDY-HNNXBMFYSA-N 2 2 295.427 0.794 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635479993 372546912 /nfs/dbraw/zinc/54/69/12/372546912.db2.gz UVYDGIWMNWUZDY-HNNXBMFYSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000635617937 372690734 /nfs/dbraw/zinc/69/07/34/372690734.db2.gz IXGZHMDASKVRRO-LSDHHAIUSA-N 2 2 295.427 0.651 20 0 CCADLP C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000635617937 372690740 /nfs/dbraw/zinc/69/07/40/372690740.db2.gz IXGZHMDASKVRRO-LSDHHAIUSA-N 2 2 295.427 0.651 20 0 CCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N[C@H]1CCC[NH2+]C1 ZINC000333127187 205052742 /nfs/dbraw/zinc/05/27/42/205052742.db2.gz BFLXSSLHCUJWKG-STQMWFEESA-N 2 2 289.383 0.712 20 0 CCADLP C[C@H]1CN(C(=O)NCc2ccn3cc[nH+]c3c2)CC[NH2+]1 ZINC000333350731 205242991 /nfs/dbraw/zinc/24/29/91/205242991.db2.gz JMXFCKUMNQWKFP-NSHDSACASA-N 2 2 273.340 0.838 20 0 CCADLP O=C(NCC[N@@H+]1CCCOCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000333425278 205307937 /nfs/dbraw/zinc/30/79/37/205307937.db2.gz 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20 0 CCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000636921038 373822102 /nfs/dbraw/zinc/82/21/02/373822102.db2.gz FQXNVMZICGDILO-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636845837 373785492 /nfs/dbraw/zinc/78/54/92/373785492.db2.gz OHKCIKBPEOAXIV-GFCCVEGCSA-N 2 2 295.387 0.075 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636845837 373785496 /nfs/dbraw/zinc/78/54/96/373785496.db2.gz OHKCIKBPEOAXIV-GFCCVEGCSA-N 2 2 295.387 0.075 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC=CC2)CC1 ZINC000636986100 373855731 /nfs/dbraw/zinc/85/57/31/373855731.db2.gz FXJUYBTVQAMJDJ-UHFFFAOYSA-N 2 2 266.389 0.594 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)C[NH+]2CC[C@@H](C)C2)CCO1 ZINC000574462265 335021917 /nfs/dbraw/zinc/02/19/17/335021917.db2.gz DTJANNYWCQTHFW-ZIAGYGMSSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)C[NH+]2CC[C@@H](C)C2)CCO1 ZINC000574462265 335021919 /nfs/dbraw/zinc/02/19/19/335021919.db2.gz 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0.300 20 0 CCADLP CN(C[C@H]1CCC[NH+](C)C1)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637441899 374161203 /nfs/dbraw/zinc/16/12/03/374161203.db2.gz BSXHYCSYGUVABA-UONOGXRCSA-N 2 2 298.431 0.300 20 0 CCADLP CN(C[C@H]1CCC[NH+](C)C1)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637441899 374161207 /nfs/dbraw/zinc/16/12/07/374161207.db2.gz BSXHYCSYGUVABA-UONOGXRCSA-N 2 2 298.431 0.300 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[NH2+]C[C@H]1C)CC2 ZINC000637819304 374354266 /nfs/dbraw/zinc/35/42/66/374354266.db2.gz SCHQCHKSNWKQEV-NEPJUHHUSA-N 2 2 262.357 0.574 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC[C@H]1CCC[NH2+]C1)CC2 ZINC000637814199 374348105 /nfs/dbraw/zinc/34/81/05/374348105.db2.gz IWSWDQUGXCJYOG-STQMWFEESA-N 2 2 276.384 0.870 20 0 CCADLP COCC[NH+]1CCN(CC(C)(C)[NH+]2CCOCC2)CC1 ZINC000637881004 374444487 /nfs/dbraw/zinc/44/44/87/374444487.db2.gz COVSTUDUKXBESO-UHFFFAOYSA-N 2 2 285.432 0.361 20 0 CCADLP CC(C)(CN1CC[NH+](C2CC2)CC1)[NH+]1CCOCC1 ZINC000637894673 374457762 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CC[NH2+][C@H](C)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000638102652 374668913 /nfs/dbraw/zinc/66/89/13/374668913.db2.gz VKNZJGHCEORXFA-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP Cc1cccn2cc(CCNC(=O)[C@@H]3OCC[C@@H]3[NH3+])[nH+]c12 ZINC000638118283 374684533 /nfs/dbraw/zinc/68/45/33/374684533.db2.gz SPLNGZLYOQFUTQ-QWHCGFSZSA-N 2 2 288.351 0.418 20 0 CCADLP C[C@@H](C[NH3+])CNC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000638143217 374714113 /nfs/dbraw/zinc/71/41/13/374714113.db2.gz GVWWXOXJOAHHBI-JTQLQIEISA-N 2 2 274.324 0.903 20 0 CCADLP C[C@@H]([NH3+])CNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000638210255 374798389 /nfs/dbraw/zinc/79/83/89/374798389.db2.gz GXNFTASAWMRHCC-HTQZYQBOSA-N 2 2 264.251 0.840 20 0 CCADLP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000638224325 374809761 /nfs/dbraw/zinc/80/97/61/374809761.db2.gz JTEMKUBBNQBSEX-AVGNSLFASA-N 2 2 294.374 0.912 20 0 CCADLP O=C(CN1CC[NH2+]CC1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000638274388 374877298 /nfs/dbraw/zinc/87/72/98/374877298.db2.gz FNESAEJUBKAUQH-LBPRGKRZSA-N 2 2 277.372 0.369 20 0 CCADLP CC(C)CC[C@H]([NH3+])C(=O)N(C)CC[NH+]1CCOCC1 ZINC000638275722 374877445 /nfs/dbraw/zinc/87/74/45/374877445.db2.gz NKBPVKIZDWBWFS-ZDUSSCGKSA-N 2 2 271.405 0.541 20 0 CCADLP [NH3+][C@@H]1CCO[C@@H]1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000638278005 374881947 /nfs/dbraw/zinc/88/19/47/374881947.db2.gz YGVYRDQLUJKIGB-OCCSQVGLSA-N 2 2 286.335 0.605 20 0 CCADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]([NH3+])CN(C)Cc1ccccc1 ZINC000638335347 374937016 /nfs/dbraw/zinc/93/70/16/374937016.db2.gz MPRCYROTNCILNG-AEGPPILISA-N 2 2 290.411 0.394 20 0 CCADLP CCC(CC)[C@@H](CNCc1c[nH+]c(N)nc1N)[NH+](C)C ZINC000638351407 374950186 /nfs/dbraw/zinc/95/01/86/374950186.db2.gz FOQRGBTUMKBGMN-GFCCVEGCSA-N 2 2 280.420 0.758 20 0 CCADLP C[C@H](CNCc1c[nH+]c(N)nc1N)[N@@H+]1CCC[C@H](C)C1 ZINC000638363709 374960569 /nfs/dbraw/zinc/96/05/69/374960569.db2.gz PSOLUSJMGKZHFH-WDEREUQCSA-N 2 2 278.404 0.512 20 0 CCADLP C[C@H](CNCc1c[nH+]c(N)nc1N)[N@H+]1CCC[C@H](C)C1 ZINC000638363709 374960572 /nfs/dbraw/zinc/96/05/72/374960572.db2.gz PSOLUSJMGKZHFH-WDEREUQCSA-N 2 2 278.404 0.512 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](CO)c1ccsc1 ZINC000574581768 335031672 /nfs/dbraw/zinc/03/16/72/335031672.db2.gz QMPRIGDYNZWJEC-QWHCGFSZSA-N 2 2 288.413 0.310 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](CO)c1ccsc1 ZINC000574581768 335031674 /nfs/dbraw/zinc/03/16/74/335031674.db2.gz QMPRIGDYNZWJEC-QWHCGFSZSA-N 2 2 288.413 0.310 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C12CCC2)[C@H]1CCc2[nH+]ccn2C1 ZINC000638507463 375096643 /nfs/dbraw/zinc/09/66/43/375096643.db2.gz IIJJIBWKVPZTTC-RYUDHWBXSA-N 2 2 274.368 0.846 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@@H]2CC[NH2+]C23CCC3)[nH+]1 ZINC000638511986 375103182 /nfs/dbraw/zinc/10/31/82/375103182.db2.gz IBEWOLRSDSYQLJ-LLVKDONJSA-N 2 2 262.357 0.915 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C[NH2+]CC(C)(C)N1CCOCC1 ZINC000638443504 375047621 /nfs/dbraw/zinc/04/76/21/375047621.db2.gz OOSWLDVURHKTEX-CYBMUJFWSA-N 2 2 255.406 0.781 20 0 CCADLP C[N@H+]1CCC[C@@H]1C[NH2+]CC(C)(C)N1CCOCC1 ZINC000638443504 375047625 /nfs/dbraw/zinc/04/76/25/375047625.db2.gz OOSWLDVURHKTEX-CYBMUJFWSA-N 2 2 255.406 0.781 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]CC1CCSCC1 ZINC000638594094 375176136 /nfs/dbraw/zinc/17/61/36/375176136.db2.gz CSWBZEUORWWZJM-CYBMUJFWSA-N 2 2 257.447 0.965 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]CC1CCSCC1 ZINC000638594094 375176138 /nfs/dbraw/zinc/17/61/38/375176138.db2.gz CSWBZEUORWWZJM-CYBMUJFWSA-N 2 2 257.447 0.965 20 0 CCADLP CO[C@@](C)(C[NH2+]C[C@@H]1C[N@H+](C)CCN1C)C1CC1 ZINC000638597459 375177754 /nfs/dbraw/zinc/17/77/54/375177754.db2.gz WQWNASQHPOZGCG-KGLIPLIRSA-N 2 2 255.406 0.637 20 0 CCADLP CO[C@@](C)(C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C)C1CC1 ZINC000638597459 375177760 /nfs/dbraw/zinc/17/77/60/375177760.db2.gz WQWNASQHPOZGCG-KGLIPLIRSA-N 2 2 255.406 0.637 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000638611242 375191635 /nfs/dbraw/zinc/19/16/35/375191635.db2.gz NCCAWFSFLVOJGA-ZFWWWQNUSA-N 2 2 289.379 0.320 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000638611242 375191639 /nfs/dbraw/zinc/19/16/39/375191639.db2.gz NCCAWFSFLVOJGA-ZFWWWQNUSA-N 2 2 289.379 0.320 20 0 CCADLP C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2C)cc1 ZINC000638611796 375193701 /nfs/dbraw/zinc/19/37/01/375193701.db2.gz QIWLDQWPPKWKJI-SMDDNHRTSA-N 2 2 277.368 0.767 20 0 CCADLP C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H]2COCC[N@H+]2C)cc1 ZINC000638611796 375193707 /nfs/dbraw/zinc/19/37/07/375193707.db2.gz QIWLDQWPPKWKJI-SMDDNHRTSA-N 2 2 277.368 0.767 20 0 CCADLP C[C@@H](C[NH2+][C@@H]1CCCNC(=O)C1)C[NH+]1CCOCC1 ZINC000638674840 375279299 /nfs/dbraw/zinc/27/92/99/375279299.db2.gz OAJBDAOQMLMZCC-QWHCGFSZSA-N 2 2 269.389 0.213 20 0 CCADLP CC(C)[N@H+](C)CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986402 375500357 /nfs/dbraw/zinc/50/03/57/375500357.db2.gz MWTBNQMNIRGYGN-UHFFFAOYSA-N 3 2 291.399 0.770 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986402 375500359 /nfs/dbraw/zinc/50/03/59/375500359.db2.gz MWTBNQMNIRGYGN-UHFFFAOYSA-N 3 2 291.399 0.770 20 0 CCADLP CC(C)[C@H]1CN(C(=O)c2cnc(C[NH3+])nc2)CC[N@@H+]1C ZINC000639018799 375523660 /nfs/dbraw/zinc/52/36/60/375523660.db2.gz WGGIQUZDXJSVCP-GFCCVEGCSA-N 2 2 277.372 0.348 20 0 CCADLP CC(C)[C@H]1CN(C(=O)c2cnc(C[NH3+])nc2)CC[N@H+]1C ZINC000639018799 375523663 /nfs/dbraw/zinc/52/36/63/375523663.db2.gz WGGIQUZDXJSVCP-GFCCVEGCSA-N 2 2 277.372 0.348 20 0 CCADLP CO[C@@H](C[NH2+][C@H]1CCC[N@H+](CCCO)C1)C1CC1 ZINC000639218693 375642170 /nfs/dbraw/zinc/64/21/70/375642170.db2.gz LSZMESOQQGRGLB-KBPBESRZSA-N 2 2 256.390 0.848 20 0 CCADLP CO[C@@H](C[NH2+][C@H]1CCC[N@@H+](CCCO)C1)C1CC1 ZINC000639218693 375642181 /nfs/dbraw/zinc/64/21/81/375642181.db2.gz LSZMESOQQGRGLB-KBPBESRZSA-N 2 2 256.390 0.848 20 0 CCADLP CC1([NH+]2CCCC2)CCN(Cc2c[nH+]c(N)nc2N)CC1 ZINC000639374850 375769066 /nfs/dbraw/zinc/76/90/66/375769066.db2.gz LNFWPSQUPPATEQ-UHFFFAOYSA-N 2 2 290.415 0.752 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+](CCO)CCOCC(F)(F)F ZINC000639487606 375804738 /nfs/dbraw/zinc/80/47/38/375804738.db2.gz PPSUPDNWKACCAF-UHFFFAOYSA-N 2 2 295.305 0.836 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+](CCO)CCOCC(F)(F)F ZINC000639487606 375804744 /nfs/dbraw/zinc/80/47/44/375804744.db2.gz PPSUPDNWKACCAF-UHFFFAOYSA-N 2 2 295.305 0.836 20 0 CCADLP C[N@H+](CCO)C1CC[NH+](CCc2cnccn2)CC1 ZINC000639500544 375811802 /nfs/dbraw/zinc/81/18/02/375811802.db2.gz KFFSDCKEGOABSD-UHFFFAOYSA-N 2 2 264.373 0.408 20 0 CCADLP C[N@@H+](CCO)C1CC[NH+](CCc2cnccn2)CC1 ZINC000639500544 375811811 /nfs/dbraw/zinc/81/18/11/375811811.db2.gz KFFSDCKEGOABSD-UHFFFAOYSA-N 2 2 264.373 0.408 20 0 CCADLP C[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)C[C@@]2(CCOC2)O1 ZINC000639621429 375866633 /nfs/dbraw/zinc/86/66/33/375866633.db2.gz TWEKTZXYCNZVPH-TZMCWYRMSA-N 2 2 265.357 0.842 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCOCC2CC2)C1 ZINC000639760508 375981736 /nfs/dbraw/zinc/98/17/36/375981736.db2.gz BEMFYFKBAJCGSN-CQSZACIVSA-N 2 2 256.390 0.802 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCOCC2CC2)C1 ZINC000639760508 375981743 /nfs/dbraw/zinc/98/17/43/375981743.db2.gz BEMFYFKBAJCGSN-CQSZACIVSA-N 2 2 256.390 0.802 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCOC2CCOCC2)C1 ZINC000639764915 375992497 /nfs/dbraw/zinc/99/24/97/375992497.db2.gz XYIJHNXOHJENSM-OAHLLOKOSA-N 2 2 286.416 0.571 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCOC2CCOCC2)C1 ZINC000639764915 375992503 /nfs/dbraw/zinc/99/25/03/375992503.db2.gz XYIJHNXOHJENSM-OAHLLOKOSA-N 2 2 286.416 0.571 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCOCC(F)(F)F)C1 ZINC000639765338 375995883 /nfs/dbraw/zinc/99/58/83/375995883.db2.gz YKUFKOCKIIQHKE-LLVKDONJSA-N 2 2 284.322 0.954 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCOCC(F)(F)F)C1 ZINC000639765338 375995892 /nfs/dbraw/zinc/99/58/92/375995892.db2.gz YKUFKOCKIIQHKE-LLVKDONJSA-N 2 2 284.322 0.954 20 0 CCADLP CC[N@H+](C)C[C@@H](O)CN[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000639774230 376003629 /nfs/dbraw/zinc/00/36/29/376003629.db2.gz ZTEULZUABMXIHG-STQMWFEESA-N 2 2 298.431 0.382 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)CN[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000639774230 376003635 /nfs/dbraw/zinc/00/36/35/376003635.db2.gz ZTEULZUABMXIHG-STQMWFEESA-N 2 2 298.431 0.382 20 0 CCADLP Cc1[nH+]ccn1CCCC[N@H+]1CCN(C)C[C@@H]1CO ZINC000639870829 376103712 /nfs/dbraw/zinc/10/37/12/376103712.db2.gz HHVHHSRPVVWHPJ-CQSZACIVSA-N 2 2 266.389 0.580 20 0 CCADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCN(C)C[C@@H]1CO ZINC000639870829 376103715 /nfs/dbraw/zinc/10/37/15/376103715.db2.gz HHVHHSRPVVWHPJ-CQSZACIVSA-N 2 2 266.389 0.580 20 0 CCADLP Cc1[nH+]ccn1CCCCN1CC[N@H+](C)C[C@@H]1CO ZINC000639870829 376103728 /nfs/dbraw/zinc/10/37/28/376103728.db2.gz HHVHHSRPVVWHPJ-CQSZACIVSA-N 2 2 266.389 0.580 20 0 CCADLP COc1cc[nH+]c(CN2CC[N@H+](C)C[C@H]2CO)c1 ZINC000639871703 376106265 /nfs/dbraw/zinc/10/62/65/376106265.db2.gz QVVVVXWILUSQJO-LBPRGKRZSA-N 2 2 251.330 0.199 20 0 CCADLP COc1cc[nH+]c(CN2CC[N@@H+](C)C[C@H]2CO)c1 ZINC000639871703 376106269 /nfs/dbraw/zinc/10/62/69/376106269.db2.gz QVVVVXWILUSQJO-LBPRGKRZSA-N 2 2 251.330 0.199 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)Cc2c[nH]nc2C)CC1 ZINC000639966776 376159831 /nfs/dbraw/zinc/15/98/31/376159831.db2.gz DYYBTTSSJXJWCJ-ZDUSSCGKSA-N 2 2 293.415 0.703 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2c[nH]nc2C)CC1 ZINC000639966776 376159836 /nfs/dbraw/zinc/15/98/36/376159836.db2.gz DYYBTTSSJXJWCJ-ZDUSSCGKSA-N 2 2 293.415 0.703 20 0 CCADLP Cc1ccc(C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)c(C)n1 ZINC000640051218 376216665 /nfs/dbraw/zinc/21/66/65/376216665.db2.gz LQSBFHVIQYPHDE-UHFFFAOYSA-N 2 2 290.411 0.904 20 0 CCADLP Cc1ccc(C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)c(C)n1 ZINC000640051218 376216672 /nfs/dbraw/zinc/21/66/72/376216672.db2.gz LQSBFHVIQYPHDE-UHFFFAOYSA-N 2 2 290.411 0.904 20 0 CCADLP CC(C)OC1CC([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000640051097 376216988 /nfs/dbraw/zinc/21/69/88/376216988.db2.gz GWVMEYCBPPBMJL-UHFFFAOYSA-N 2 2 283.416 0.648 20 0 CCADLP CC(C)OC1CC([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000640051097 376216998 /nfs/dbraw/zinc/21/69/98/376216998.db2.gz GWVMEYCBPPBMJL-UHFFFAOYSA-N 2 2 283.416 0.648 20 0 CCADLP CC(C)COCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051158 376217281 /nfs/dbraw/zinc/21/72/81/376217281.db2.gz JSCVQLHGZQPERY-UHFFFAOYSA-N 2 2 271.405 0.365 20 0 CCADLP CC(C)COCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051158 376217284 /nfs/dbraw/zinc/21/72/84/376217284.db2.gz JSCVQLHGZQPERY-UHFFFAOYSA-N 2 2 271.405 0.365 20 0 CCADLP CC(C)(C(=O)N[C@H](CO)C[NH+]1CCCC1)c1c[nH]c[nH+]1 ZINC000640321973 376313059 /nfs/dbraw/zinc/31/30/59/376313059.db2.gz SEEAPEJHSJGNQN-NSHDSACASA-N 2 2 280.372 0.260 20 0 CCADLP Cc1[nH+]cccc1Cn1cc(Cn2cc(C[NH3+])cn2)nn1 ZINC000641049896 376716062 /nfs/dbraw/zinc/71/60/62/376716062.db2.gz WJIMIDRQJLINIG-UHFFFAOYSA-N 2 2 283.339 0.733 20 0 CCADLP COCC[N@H+](C)Cc1cn(Cc2[nH]c(C)c(C)[nH+]2)nn1 ZINC000641156797 376818332 /nfs/dbraw/zinc/81/83/32/376818332.db2.gz WOGVFLBDHNVFCW-UHFFFAOYSA-N 2 2 278.360 0.745 20 0 CCADLP COCC[N@@H+](C)Cc1cn(Cc2[nH]c(C)c(C)[nH+]2)nn1 ZINC000641156797 376818341 /nfs/dbraw/zinc/81/83/41/376818341.db2.gz WOGVFLBDHNVFCW-UHFFFAOYSA-N 2 2 278.360 0.745 20 0 CCADLP CC[NH+]1CCC(CNC(=O)NCCn2cc[nH+]c2)CC1 ZINC000569141303 291655677 /nfs/dbraw/zinc/65/56/77/291655677.db2.gz DJDDIQBHCGNTHI-UHFFFAOYSA-N 2 2 279.388 0.914 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000080994384 284608090 /nfs/dbraw/zinc/60/80/90/284608090.db2.gz MPMHTYAXVMZDDE-NEPJUHHUSA-N 2 2 250.346 0.920 20 0 CCADLP OCc1cc[nH+]c(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000641667939 377376247 /nfs/dbraw/zinc/37/62/47/377376247.db2.gz BJVOCTUIWRWGBF-AWEZNQCLSA-N 2 2 277.368 0.609 20 0 CCADLP OCc1cc[nH+]c(N2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000641667939 377376253 /nfs/dbraw/zinc/37/62/53/377376253.db2.gz BJVOCTUIWRWGBF-AWEZNQCLSA-N 2 2 277.368 0.609 20 0 CCADLP NS(=O)(=O)CCC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000641797148 377467254 /nfs/dbraw/zinc/46/72/54/377467254.db2.gz VXZGXUAVNJNZJR-UHFFFAOYSA-N 2 2 275.418 0.129 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)Nc1nccs1 ZINC000641801173 377471592 /nfs/dbraw/zinc/47/15/92/377471592.db2.gz AUNNHEDTDIQMKW-HTQZYQBOSA-N 2 2 254.359 0.797 20 0 CCADLP Cc1cc(NC(=O)C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)on1 ZINC000641808391 377480197 /nfs/dbraw/zinc/48/01/97/377480197.db2.gz USEVACXXMNKODQ-RKDXNWHRSA-N 2 2 252.318 0.637 20 0 CCADLP C[C@@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@H](C)[NH3+] ZINC000423671897 249013071 /nfs/dbraw/zinc/01/30/71/249013071.db2.gz CVBGTBKUTLMPRB-VHSXEESVSA-N 2 2 259.313 0.733 20 0 CCADLP C[C@H](CC(=O)N1CCO[C@@H](C[NH3+])C1)n1cc[nH+]c1 ZINC000514611120 249093511 /nfs/dbraw/zinc/09/35/11/249093511.db2.gz AURVPONEAXAERE-MNOVXSKESA-N 2 2 252.318 0.020 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCSC[C@@H]1CCO ZINC000516191130 249155705 /nfs/dbraw/zinc/15/57/05/249155705.db2.gz GJOULAMFIOCWOJ-RYUDHWBXSA-N 2 2 262.419 0.099 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCSC[C@@H]1CCO ZINC000516191130 249155707 /nfs/dbraw/zinc/15/57/07/249155707.db2.gz GJOULAMFIOCWOJ-RYUDHWBXSA-N 2 2 262.419 0.099 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCSC[C@@H]1CCO ZINC000516191130 249155711 /nfs/dbraw/zinc/15/57/11/249155711.db2.gz GJOULAMFIOCWOJ-RYUDHWBXSA-N 2 2 262.419 0.099 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCSC[C@@H]1CCO ZINC000516191130 249155714 /nfs/dbraw/zinc/15/57/14/249155714.db2.gz GJOULAMFIOCWOJ-RYUDHWBXSA-N 2 2 262.419 0.099 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)N[C@@H]2CCC[NH2+]C2)CCO1 ZINC000516263027 249157696 /nfs/dbraw/zinc/15/76/96/249157696.db2.gz OHYJITYEYSVYMQ-OLZOCXBDSA-N 2 2 284.404 0.148 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCC[NH2+]C2)CCO1 ZINC000516263027 249157698 /nfs/dbraw/zinc/15/76/98/249157698.db2.gz OHYJITYEYSVYMQ-OLZOCXBDSA-N 2 2 284.404 0.148 20 0 CCADLP CCCN(C(=O)NCC[NH+]1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000516260240 249157884 /nfs/dbraw/zinc/15/78/84/249157884.db2.gz PRRJGYYMSNZNCV-ZDUSSCGKSA-N 2 2 284.404 0.102 20 0 CCADLP CC[C@@H](Cn1cncn1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000516354560 249161334 /nfs/dbraw/zinc/16/13/34/249161334.db2.gz SFXKYEWLSFCRNL-WDEREUQCSA-N 2 2 260.345 0.927 20 0 CCADLP CC[C@@H](Cn1cncn1)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000516354560 249161336 /nfs/dbraw/zinc/16/13/36/249161336.db2.gz SFXKYEWLSFCRNL-WDEREUQCSA-N 2 2 260.345 0.927 20 0 CCADLP C[C@](C[NH3+])(NC(=O)c1ccc(-n2cc[nH+]c2)nn1)C1CC1 ZINC000515485897 249135912 /nfs/dbraw/zinc/13/59/12/249135912.db2.gz CGFWZZSGTFPSLL-CQSZACIVSA-N 2 2 286.339 0.520 20 0 CCADLP C[C@H](NC(=O)NCC[C@@H]1CC[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000516554173 249168977 /nfs/dbraw/zinc/16/89/77/249168977.db2.gz ADHSYSSAPGNPMN-IHRRRGAJSA-N 2 2 298.431 0.394 20 0 CCADLP [NH3+]CCCCNC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000516569076 249170409 /nfs/dbraw/zinc/17/04/09/249170409.db2.gz QIPAPTHWFYVKEV-LLVKDONJSA-N 2 2 257.284 0.820 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000518025406 249238149 /nfs/dbraw/zinc/23/81/49/249238149.db2.gz NCIXNAOJWHTCTD-UHFFFAOYSA-N 2 2 292.383 0.454 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](CO)COC(C)C ZINC000517387338 249217331 /nfs/dbraw/zinc/21/73/31/249217331.db2.gz DGEULUFCLGBYKV-QWHCGFSZSA-N 2 2 262.394 0.017 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](CO)COC(C)C ZINC000517387338 249217334 /nfs/dbraw/zinc/21/73/34/249217334.db2.gz DGEULUFCLGBYKV-QWHCGFSZSA-N 2 2 262.394 0.017 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](CO)COC(C)C ZINC000517387338 249217335 /nfs/dbraw/zinc/21/73/35/249217335.db2.gz DGEULUFCLGBYKV-QWHCGFSZSA-N 2 2 262.394 0.017 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](CO)COC(C)C ZINC000517387338 249217338 /nfs/dbraw/zinc/21/73/38/249217338.db2.gz DGEULUFCLGBYKV-QWHCGFSZSA-N 2 2 262.394 0.017 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000517756704 249229968 /nfs/dbraw/zinc/22/99/68/249229968.db2.gz LIFCSTXSSJWCQF-IAQYHMDHSA-N 2 2 292.383 0.161 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000517756704 249229970 /nfs/dbraw/zinc/22/99/70/249229970.db2.gz LIFCSTXSSJWCQF-IAQYHMDHSA-N 2 2 292.383 0.161 20 0 CCADLP Cc1nc(N2CCO[C@@H](C[NH3+])C2)c2c([nH+]1)CCCC2 ZINC000643027048 377694466 /nfs/dbraw/zinc/69/44/66/377694466.db2.gz WQUAFKHRFHPRJY-NSHDSACASA-N 2 2 262.357 0.828 20 0 CCADLP Nc1[nH+]cnc(N2CC[C@@]3(CC[NH2+]C3)C2)c1Cl ZINC000643026833 377694833 /nfs/dbraw/zinc/69/48/33/377694833.db2.gz MSJCQAALQNQVKH-LLVKDONJSA-N 2 2 253.737 0.902 20 0 CCADLP Nc1nc[nH+]c(N2CC[C@@]3(CC[NH2+]C3)C2)c1Cl ZINC000643026833 377694839 /nfs/dbraw/zinc/69/48/39/377694839.db2.gz MSJCQAALQNQVKH-LLVKDONJSA-N 2 2 253.737 0.902 20 0 CCADLP [NH3+][C@H]1CCC[C@H](Nc2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000643030177 377696613 /nfs/dbraw/zinc/69/66/13/377696613.db2.gz DZKUYPSMUTVSQB-RYUDHWBXSA-N 2 2 277.372 0.995 20 0 CCADLP [NH3+][C@H]1CCC[C@H](Nc2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000643030177 377696626 /nfs/dbraw/zinc/69/66/26/377696626.db2.gz DZKUYPSMUTVSQB-RYUDHWBXSA-N 2 2 277.372 0.995 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[C@@H]3CC[NH2+][C@H]3C2)nc[nH+]1 ZINC000643031888 377696936 /nfs/dbraw/zinc/69/69/36/377696936.db2.gz ZCHIQRJKKDOSEB-SRVKXCTJSA-N 2 2 277.372 0.458 20 0 CCADLP CN1CC[NH2+]C[C@@H]1CNc1cc(N2CCCC2)[nH+]cn1 ZINC000643048655 377707344 /nfs/dbraw/zinc/70/73/44/377707344.db2.gz VXDGYDKAMMZQTJ-GFCCVEGCSA-N 2 2 276.388 0.392 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)CC1 ZINC000574694320 335040389 /nfs/dbraw/zinc/04/03/89/335040389.db2.gz KREDYINFZXJSSW-ZIAGYGMSSA-N 3 2 296.459 0.504 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)CC1 ZINC000574694320 335040390 /nfs/dbraw/zinc/04/03/90/335040390.db2.gz KREDYINFZXJSSW-ZIAGYGMSSA-N 3 2 296.459 0.504 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1ccco1 ZINC000657090330 412885671 /nfs/dbraw/zinc/88/56/71/412885671.db2.gz BWTCRORMCRIARY-UHFFFAOYSA-N 2 2 289.401 0.441 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CCc2ccnn2C)CC1 ZINC000278524314 194026746 /nfs/dbraw/zinc/02/67/46/194026746.db2.gz DAZNEHLDNKIFCT-UHFFFAOYSA-N 2 2 274.372 0.518 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@H](C(=O)N2CCOCC2)C(C)C)n1C ZINC000570345811 291751382 /nfs/dbraw/zinc/75/13/82/291751382.db2.gz WMDCYOZUTFUWRN-AWEZNQCLSA-N 2 2 294.399 0.702 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)NCc2[nH+]ccn2C)CC1 ZINC000334832866 207154176 /nfs/dbraw/zinc/15/41/76/207154176.db2.gz RUYVUXVHHMRMFC-UHFFFAOYSA-N 2 2 265.361 0.656 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H]2COC[C@@H]21)C1CC1 ZINC000657293604 412952195 /nfs/dbraw/zinc/95/21/95/412952195.db2.gz HJUMXQPAJDPCDJ-BNOWGMLFSA-N 2 2 254.374 0.552 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H]2COC[C@@H]21)C1CC1 ZINC000657293604 412952204 /nfs/dbraw/zinc/95/22/04/412952204.db2.gz HJUMXQPAJDPCDJ-BNOWGMLFSA-N 2 2 254.374 0.552 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H]2COC[C@@H]21)C1CC1 ZINC000657293604 412952211 /nfs/dbraw/zinc/95/22/11/412952211.db2.gz HJUMXQPAJDPCDJ-BNOWGMLFSA-N 2 2 254.374 0.552 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H]2COC[C@@H]21)C1CC1 ZINC000657293604 412952214 /nfs/dbraw/zinc/95/22/14/412952214.db2.gz HJUMXQPAJDPCDJ-BNOWGMLFSA-N 2 2 254.374 0.552 20 0 CCADLP CN(CCC[NH2+]Cc1c[nH+]c2n1CCC2)S(C)(=O)=O ZINC000657308768 412957623 /nfs/dbraw/zinc/95/76/23/412957623.db2.gz WRFOJBYFNHDGNP-UHFFFAOYSA-N 2 2 286.401 0.200 20 0 CCADLP C[C@@H](C[NH2+]Cc1cn(C2CCC2)nn1)N1CC[NH+](C)CC1 ZINC000657348791 412964438 /nfs/dbraw/zinc/96/44/38/412964438.db2.gz HWCMXRLRZVLHMI-ZDUSSCGKSA-N 2 2 292.431 0.729 20 0 CCADLP [NH3+]C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2c(F)cccc2F)CCO1 ZINC000571325584 291807112 /nfs/dbraw/zinc/80/71/12/291807112.db2.gz UMFGLVLTAVTYED-PELKAZGASA-N 2 2 285.294 0.151 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000420304032 296339567 /nfs/dbraw/zinc/33/95/67/296339567.db2.gz IIUMYQDPEVVPGC-KGLIPLIRSA-N 2 2 281.400 0.452 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000420304032 296339569 /nfs/dbraw/zinc/33/95/69/296339569.db2.gz IIUMYQDPEVVPGC-KGLIPLIRSA-N 2 2 281.400 0.452 20 0 CCADLP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCC[NH+]1CCOCC1 ZINC000246286988 285013866 /nfs/dbraw/zinc/01/38/66/285013866.db2.gz KLRPZNCVFZSPLM-UONOGXRCSA-N 2 2 298.431 0.300 20 0 CCADLP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCC[NH+]1CCOCC1 ZINC000246286988 285013871 /nfs/dbraw/zinc/01/38/71/285013871.db2.gz KLRPZNCVFZSPLM-UONOGXRCSA-N 2 2 298.431 0.300 20 0 CCADLP O=C1C[C@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)[C@@H]2CCCCN12 ZINC000515413428 296348193 /nfs/dbraw/zinc/34/81/93/296348193.db2.gz WTJUZDGLFCTSDC-TTZDDIAXSA-N 2 2 293.411 0.496 20 0 CCADLP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)CC1=O ZINC000571622160 291826104 /nfs/dbraw/zinc/82/61/04/291826104.db2.gz LHYNTRGNJVHQHO-WZRBSPASSA-N 2 2 291.399 0.585 20 0 CCADLP CNC(=O)N1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000335265339 208057599 /nfs/dbraw/zinc/05/75/99/208057599.db2.gz LHRYUWCPASLOLC-ZDUSSCGKSA-N 2 2 268.405 0.818 20 0 CCADLP CNC(=O)N1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000335265339 208057604 /nfs/dbraw/zinc/05/76/04/208057604.db2.gz LHRYUWCPASLOLC-ZDUSSCGKSA-N 2 2 268.405 0.818 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657361070 412976130 /nfs/dbraw/zinc/97/61/30/412976130.db2.gz YYBQAXKHJXUCOT-VIFPVBQESA-N 2 2 257.359 0.352 20 0 CCADLP c1cc(C[NH2+]Cc2nnnn2C2CC2)n(-c2cc[nH+]cc2)n1 ZINC000657377283 412977931 /nfs/dbraw/zinc/97/79/31/412977931.db2.gz BUBYDFOKDWTKTO-UHFFFAOYSA-N 2 2 296.338 0.879 20 0 CCADLP COc1ccnc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)n1 ZINC000424376686 533056103 /nfs/dbraw/zinc/05/61/03/533056103.db2.gz LSNYTOSNZBDUBB-XQQFMLRXSA-N 2 2 292.383 0.732 20 0 CCADLP COCCNC(=O)C1([NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657490141 413008932 /nfs/dbraw/zinc/00/89/32/413008932.db2.gz FTWVJPWFEZXOJZ-UHFFFAOYSA-N 2 2 278.356 0.214 20 0 CCADLP C[C@H]([NH2+]CC(=O)NCC(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000393683520 285211185 /nfs/dbraw/zinc/21/11/85/285211185.db2.gz KUFAEHBIFPLVLU-IUCAKERBSA-N 2 2 267.295 0.785 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Cn1cc[nH+]c1 ZINC000288477679 197089295 /nfs/dbraw/zinc/08/92/95/197089295.db2.gz QTWBCIKFFMNOPK-CHWSQXEVSA-N 2 2 262.357 0.968 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+](C)C2CC([NH3+])C2)C[C@H](C)O1 ZINC000394974949 285219284 /nfs/dbraw/zinc/21/92/84/285219284.db2.gz BBKMYCHXYQENIV-ZYANWLCNSA-N 2 2 255.362 0.044 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CC([NH3+])C2)C[C@H](C)O1 ZINC000394974949 285219286 /nfs/dbraw/zinc/21/92/86/285219286.db2.gz BBKMYCHXYQENIV-ZYANWLCNSA-N 2 2 255.362 0.044 20 0 CCADLP CC[N@@H+]1CCN(C(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC000288328273 197052509 /nfs/dbraw/zinc/05/25/09/197052509.db2.gz IDZHMWMUTFSJBD-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP CC[N@H+]1CCN(C(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC000288328273 197052511 /nfs/dbraw/zinc/05/25/11/197052511.db2.gz IDZHMWMUTFSJBD-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000333631205 533192167 /nfs/dbraw/zinc/19/21/67/533192167.db2.gz AWQJIAYBUARLMV-UONOGXRCSA-N 2 2 283.416 0.683 20 0 CCADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000333631205 533192171 /nfs/dbraw/zinc/19/21/71/533192171.db2.gz AWQJIAYBUARLMV-UONOGXRCSA-N 2 2 283.416 0.683 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@]2(OCCO)CCOC2)C[N@@H+]1C1CC1 ZINC000657598994 413030196 /nfs/dbraw/zinc/03/01/96/413030196.db2.gz XXYHIKJQPKKMSV-IPYPFGDCSA-N 2 2 284.400 0.369 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@]2(OCCO)CCOC2)C[N@H+]1C1CC1 ZINC000657598994 413030203 /nfs/dbraw/zinc/03/02/03/413030203.db2.gz XXYHIKJQPKKMSV-IPYPFGDCSA-N 2 2 284.400 0.369 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCC[NH+]1CC=CCC1 ZINC000525989843 285325075 /nfs/dbraw/zinc/32/50/75/285325075.db2.gz WVIJKRZLWFJTGM-AWEZNQCLSA-N 2 2 296.415 0.268 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCC[NH+]1CC=CCC1 ZINC000525989843 285325079 /nfs/dbraw/zinc/32/50/79/285325079.db2.gz WVIJKRZLWFJTGM-AWEZNQCLSA-N 2 2 296.415 0.268 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)NCC[N@H+]1CC=CCC1 ZINC000525989843 285325080 /nfs/dbraw/zinc/32/50/80/285325080.db2.gz WVIJKRZLWFJTGM-AWEZNQCLSA-N 2 2 296.415 0.268 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)NCC[N@@H+]1CC=CCC1 ZINC000525989843 285325083 /nfs/dbraw/zinc/32/50/83/285325083.db2.gz WVIJKRZLWFJTGM-AWEZNQCLSA-N 2 2 296.415 0.268 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N1CCC[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000417513947 299603887 /nfs/dbraw/zinc/60/38/87/299603887.db2.gz AMGKZPAZSVDPIO-YNEHKIRRSA-N 2 2 284.404 0.228 20 0 CCADLP [NH3+]CCC[NH+]1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000019688213 388793467 /nfs/dbraw/zinc/79/34/67/388793467.db2.gz KLZRDJWOPOGYKI-UHFFFAOYSA-N 2 2 276.384 0.592 20 0 CCADLP C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000020052892 388795024 /nfs/dbraw/zinc/79/50/24/388795024.db2.gz ATMZXHQGZSSCTR-CHWSQXEVSA-N 2 2 253.390 0.929 20 0 CCADLP [NH3+]CC1(CC(=O)NCC[NH+]2CCOCC2)CCCCC1 ZINC000185339043 388799919 /nfs/dbraw/zinc/79/99/19/388799919.db2.gz AHBWWVAMGWHZGX-UHFFFAOYSA-N 2 2 283.416 0.734 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000286084046 388833514 /nfs/dbraw/zinc/83/35/14/388833514.db2.gz AIRLOYWHKSLUGL-DGCLKSJQSA-N 2 2 292.383 0.582 20 0 CCADLP COC[C@H](C)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000187369393 388878944 /nfs/dbraw/zinc/87/89/44/388878944.db2.gz ROPQZPIJCLKVDZ-ZIAGYGMSSA-N 2 2 256.390 0.923 20 0 CCADLP COC[C@H](C)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000187369393 388878946 /nfs/dbraw/zinc/87/89/46/388878946.db2.gz ROPQZPIJCLKVDZ-ZIAGYGMSSA-N 2 2 256.390 0.923 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000290591287 388907963 /nfs/dbraw/zinc/90/79/63/388907963.db2.gz BFLASTLSHUNBBY-CHWSQXEVSA-N 2 2 277.372 0.846 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000290591287 388907967 /nfs/dbraw/zinc/90/79/67/388907967.db2.gz BFLASTLSHUNBBY-CHWSQXEVSA-N 2 2 277.372 0.846 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)c1coc(C[NH3+])c1 ZINC000188075990 388912265 /nfs/dbraw/zinc/91/22/65/388912265.db2.gz GWTIXARWBROXGF-JTQLQIEISA-N 2 2 267.329 0.189 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NCCC1CC[NH+](C)CC1 ZINC000290804930 388913635 /nfs/dbraw/zinc/91/36/35/388913635.db2.gz VEBYWECOBJUFNK-UHFFFAOYSA-N 2 2 279.388 0.951 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000061611649 388936142 /nfs/dbraw/zinc/93/61/42/388936142.db2.gz MKNHUBQMXCNBJS-ZFWWWQNUSA-N 2 2 291.395 0.566 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2coc(C[NH3+])c2)C[C@@H]1C ZINC000188187377 388916792 /nfs/dbraw/zinc/91/67/92/388916792.db2.gz NGHPMUVGPYQFMV-WDEREUQCSA-N 2 2 281.356 0.265 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)c2coc(C[NH3+])c2)C[C@@H]1C ZINC000188187377 388916794 /nfs/dbraw/zinc/91/67/94/388916794.db2.gz NGHPMUVGPYQFMV-WDEREUQCSA-N 2 2 281.356 0.265 20 0 CCADLP C[NH+]1CCC(NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000188463803 388929856 /nfs/dbraw/zinc/92/98/56/388929856.db2.gz BEGQJXNQTIZCPK-HNNXBMFYSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC(NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000188463803 388929860 /nfs/dbraw/zinc/92/98/60/388929860.db2.gz BEGQJXNQTIZCPK-HNNXBMFYSA-N 2 2 295.427 0.840 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NCC1([NH+](C)C)CCC1 ZINC000292373794 388948408 /nfs/dbraw/zinc/94/84/08/388948408.db2.gz LIQYMGAFGWJXFR-UHFFFAOYSA-N 2 2 265.361 0.704 20 0 CCADLP C[C@H](C(=O)N1CC[NH+](C[C@H](C)O)CC1)[NH+]1CCCCCC1 ZINC000189744129 388971170 /nfs/dbraw/zinc/97/11/70/388971170.db2.gz MSAAQOWFDFZDGS-LSDHHAIUSA-N 2 2 297.443 0.776 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000084696364 389005011 /nfs/dbraw/zinc/00/50/11/389005011.db2.gz PWPSEVTTXWNMNX-ZDUSSCGKSA-N 2 2 271.405 0.413 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000084696364 389005015 /nfs/dbraw/zinc/00/50/15/389005015.db2.gz PWPSEVTTXWNMNX-ZDUSSCGKSA-N 2 2 271.405 0.413 20 0 CCADLP CCOCCNC(=O)C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000084696364 389005018 /nfs/dbraw/zinc/00/50/18/389005018.db2.gz PWPSEVTTXWNMNX-ZDUSSCGKSA-N 2 2 271.405 0.413 20 0 CCADLP CCOCCNC(=O)C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000084696364 389005022 /nfs/dbraw/zinc/00/50/22/389005022.db2.gz PWPSEVTTXWNMNX-ZDUSSCGKSA-N 2 2 271.405 0.413 20 0 CCADLP CC(C)[C@H]1C[N@@H+](C)CCN1CC[NH+]1CCOCC1 ZINC000336713161 389014478 /nfs/dbraw/zinc/01/44/78/389014478.db2.gz OYMYYQOARVDFKF-CQSZACIVSA-N 2 2 255.406 0.591 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+](C)C[C@@H]1CCCCO1)C1CC1 ZINC000336792931 389019303 /nfs/dbraw/zinc/01/93/03/389019303.db2.gz UTXASMLEJNAHMM-KGLIPLIRSA-N 2 2 256.390 0.942 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+](C)C[C@@H]1CCCCO1)C1CC1 ZINC000336792931 389019306 /nfs/dbraw/zinc/01/93/06/389019306.db2.gz UTXASMLEJNAHMM-KGLIPLIRSA-N 2 2 256.390 0.942 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C[C@@H]1CCCCO1 ZINC000336792931 389019311 /nfs/dbraw/zinc/01/93/11/389019311.db2.gz UTXASMLEJNAHMM-KGLIPLIRSA-N 2 2 256.390 0.942 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C[C@@H]1CCCCO1 ZINC000336792931 389019316 /nfs/dbraw/zinc/01/93/16/389019316.db2.gz UTXASMLEJNAHMM-KGLIPLIRSA-N 2 2 256.390 0.942 20 0 CCADLP CC(C)n1c[nH+]cc1C[NH2+][C@@H]1CCC(=O)N(C)C1=O ZINC000090209520 389019501 /nfs/dbraw/zinc/01/95/01/389019501.db2.gz KWDWUCKRLQVCLH-LLVKDONJSA-N 2 2 264.329 0.701 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@@](O)(C(F)(F)F)C1)C1CC1 ZINC000336811094 389022442 /nfs/dbraw/zinc/02/24/42/389022442.db2.gz LAVCTBXXKGQUNS-QWRGUYRKSA-N 2 2 282.306 0.441 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@](O)(C(F)(F)F)C1)C1CC1 ZINC000336811094 389022444 /nfs/dbraw/zinc/02/24/44/389022444.db2.gz LAVCTBXXKGQUNS-QWRGUYRKSA-N 2 2 282.306 0.441 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1)C1CC1 ZINC000336811094 389022447 /nfs/dbraw/zinc/02/24/47/389022447.db2.gz LAVCTBXXKGQUNS-QWRGUYRKSA-N 2 2 282.306 0.441 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@@](O)(C(F)(F)F)C1)C1CC1 ZINC000336811094 389022448 /nfs/dbraw/zinc/02/24/48/389022448.db2.gz LAVCTBXXKGQUNS-QWRGUYRKSA-N 2 2 282.306 0.441 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000355379135 389068679 /nfs/dbraw/zinc/06/86/79/389068679.db2.gz FXUFQLHLRMFZHK-YUTCNCBUSA-N 2 2 281.400 0.164 20 0 CCADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C[NH3+])CC2)c1 ZINC000098135831 389069699 /nfs/dbraw/zinc/06/96/99/389069699.db2.gz PUQNQLSBLNCCME-LBPRGKRZSA-N 2 2 277.368 0.859 20 0 CCADLP C[N@H+](CC(=O)NC[C@H]1C[NH+](C)CCO1)Cc1ccccc1 ZINC000338122177 389076420 /nfs/dbraw/zinc/07/64/20/389076420.db2.gz SQEFCQUCAYJUFY-HNNXBMFYSA-N 2 2 291.395 0.565 20 0 CCADLP C[N@@H+](CC(=O)NC[C@H]1C[NH+](C)CCO1)Cc1ccccc1 ZINC000338122177 389076421 /nfs/dbraw/zinc/07/64/21/389076421.db2.gz SQEFCQUCAYJUFY-HNNXBMFYSA-N 2 2 291.395 0.565 20 0 CCADLP C[NH+](CC(=O)NC[C@H]1C[N@H+](C)CCO1)Cc1ccccc1 ZINC000338122177 389076424 /nfs/dbraw/zinc/07/64/24/389076424.db2.gz SQEFCQUCAYJUFY-HNNXBMFYSA-N 2 2 291.395 0.565 20 0 CCADLP C[NH+](CC(=O)NC[C@H]1C[N@@H+](C)CCO1)Cc1ccccc1 ZINC000338122177 389076426 /nfs/dbraw/zinc/07/64/26/389076426.db2.gz SQEFCQUCAYJUFY-HNNXBMFYSA-N 2 2 291.395 0.565 20 0 CCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338187681 389086953 /nfs/dbraw/zinc/08/69/53/389086953.db2.gz JOTWLUIKRMWHMO-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338187681 389086954 /nfs/dbraw/zinc/08/69/54/389086954.db2.gz JOTWLUIKRMWHMO-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP CC[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C(C)C ZINC000194085813 389088227 /nfs/dbraw/zinc/08/82/27/389088227.db2.gz LOCRFLVKKUWMKY-UHFFFAOYSA-N 2 2 285.432 0.944 20 0 CCADLP CC[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C(C)C ZINC000194085813 389088228 /nfs/dbraw/zinc/08/82/28/389088228.db2.gz LOCRFLVKKUWMKY-UHFFFAOYSA-N 2 2 285.432 0.944 20 0 CCADLP CCN1CC[N@H+](CCc2c[nH+]cn2C)C(C)(C)C1=O ZINC000298594267 389033093 /nfs/dbraw/zinc/03/30/93/389033093.db2.gz YPSAFKZCEKGMIP-UHFFFAOYSA-N 2 2 264.373 0.905 20 0 CCADLP CCN1CC[N@@H+](CCc2c[nH+]cn2C)C(C)(C)C1=O ZINC000298594267 389033098 /nfs/dbraw/zinc/03/30/98/389033098.db2.gz YPSAFKZCEKGMIP-UHFFFAOYSA-N 2 2 264.373 0.905 20 0 CCADLP CC(C)C[C@H]1COCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000093174194 389034554 /nfs/dbraw/zinc/03/45/54/389034554.db2.gz AQKWFUCBKNSYKV-AWEZNQCLSA-N 2 2 283.416 0.507 20 0 CCADLP CC(C)C[C@H]1COCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000093174194 389034556 /nfs/dbraw/zinc/03/45/56/389034556.db2.gz AQKWFUCBKNSYKV-AWEZNQCLSA-N 2 2 283.416 0.507 20 0 CCADLP C[N@H+](CCn1cc[nH+]c1)C1(CCO)CCOCC1 ZINC000355019380 389036382 /nfs/dbraw/zinc/03/63/82/389036382.db2.gz YWUVXGJRKLPUIA-UHFFFAOYSA-N 2 2 253.346 0.747 20 0 CCADLP C[N@@H+](CCn1cc[nH+]c1)C1(CCO)CCOCC1 ZINC000355019380 389036386 /nfs/dbraw/zinc/03/63/86/389036386.db2.gz YWUVXGJRKLPUIA-UHFFFAOYSA-N 2 2 253.346 0.747 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCC2(C)C)CC1 ZINC000094324385 389038939 /nfs/dbraw/zinc/03/89/39/389038939.db2.gz MKOFXSIOVGRZJU-GFCCVEGCSA-N 2 2 253.390 0.929 20 0 CCADLP C[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H](C)CN1C ZINC000338288386 389107070 /nfs/dbraw/zinc/10/70/70/389107070.db2.gz ZQWMFKSXVSDIHG-KBPBESRZSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H](C)CN1C ZINC000338288386 389107072 /nfs/dbraw/zinc/10/70/72/389107072.db2.gz ZQWMFKSXVSDIHG-KBPBESRZSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1CCC(=O)N1CC[NH+](C)CC1 ZINC000338288386 389107074 /nfs/dbraw/zinc/10/70/74/389107074.db2.gz ZQWMFKSXVSDIHG-KBPBESRZSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1CCC(=O)N1CC[NH+](C)CC1 ZINC000338288386 389107077 /nfs/dbraw/zinc/10/70/77/389107077.db2.gz ZQWMFKSXVSDIHG-KBPBESRZSA-N 2 2 282.432 0.175 20 0 CCADLP Cn1c[nH+]cc1C[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O ZINC000112101153 389118309 /nfs/dbraw/zinc/11/83/09/389118309.db2.gz DAQUAOJCPFUQPF-SECBINFHSA-N 2 2 276.262 0.673 20 0 CCADLP OC1CC[NH+](CC[NH2+]CCC2CCOCC2)CC1 ZINC000322047491 389122232 /nfs/dbraw/zinc/12/22/32/389122232.db2.gz AERPFYBQSUEBPF-UHFFFAOYSA-N 2 2 256.390 0.849 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C)C1CC1 ZINC000322355324 389122398 /nfs/dbraw/zinc/12/23/98/389122398.db2.gz GPKDSSHOBWGVFK-CHEQUFIKSA-N 3 2 267.417 0.656 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C)C1CC1 ZINC000322355324 389122399 /nfs/dbraw/zinc/12/23/99/389122399.db2.gz GPKDSSHOBWGVFK-CHEQUFIKSA-N 3 2 267.417 0.656 20 0 CCADLP C[NH+](C[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000322355324 389122400 /nfs/dbraw/zinc/12/24/00/389122400.db2.gz GPKDSSHOBWGVFK-CHEQUFIKSA-N 3 2 267.417 0.656 20 0 CCADLP C[NH+](C[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000322355324 389122402 /nfs/dbraw/zinc/12/24/02/389122402.db2.gz GPKDSSHOBWGVFK-CHEQUFIKSA-N 3 2 267.417 0.656 20 0 CCADLP CNC(=O)C[C@@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000322695152 389122929 /nfs/dbraw/zinc/12/29/29/389122929.db2.gz LRBHVDBPDXISDN-SECBINFHSA-N 2 2 253.350 0.100 20 0 CCADLP O=S1(=O)CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000226831329 389148978 /nfs/dbraw/zinc/14/89/78/389148978.db2.gz PNCJINGDYNEIGY-RWMBFGLXSA-N 2 2 272.414 0.780 20 0 CCADLP O=S1(=O)CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000226831329 389148981 /nfs/dbraw/zinc/14/89/81/389148981.db2.gz PNCJINGDYNEIGY-RWMBFGLXSA-N 2 2 272.414 0.780 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCCO1 ZINC000339362157 389131449 /nfs/dbraw/zinc/13/14/49/389131449.db2.gz TWMWCCVEYCLPOY-AWEZNQCLSA-N 2 2 283.416 0.650 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCCO1 ZINC000339362157 389131450 /nfs/dbraw/zinc/13/14/50/389131450.db2.gz TWMWCCVEYCLPOY-AWEZNQCLSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@@H](COC)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000360894126 389205702 /nfs/dbraw/zinc/20/57/02/389205702.db2.gz MATMYCUFWMCHCQ-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP CC[C@@H](COC)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000360894126 389205705 /nfs/dbraw/zinc/20/57/05/389205705.db2.gz MATMYCUFWMCHCQ-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360563654 389199992 /nfs/dbraw/zinc/19/99/92/389199992.db2.gz PETPXBCNNYPTIZ-RISCZKNCSA-N 2 2 282.388 0.295 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360563654 389199995 /nfs/dbraw/zinc/19/99/95/389199995.db2.gz PETPXBCNNYPTIZ-RISCZKNCSA-N 2 2 282.388 0.295 20 0 CCADLP CC[N@H+](C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364410731 389262806 /nfs/dbraw/zinc/26/28/06/389262806.db2.gz JNWXMJLNGPLDPY-LLVKDONJSA-N 2 2 250.346 0.513 20 0 CCADLP CC[N@@H+](C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364410731 389262807 /nfs/dbraw/zinc/26/28/07/389262807.db2.gz JNWXMJLNGPLDPY-LLVKDONJSA-N 2 2 250.346 0.513 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC(=O)NC2CC2)[C@@H](C)C1 ZINC000245436410 389206926 /nfs/dbraw/zinc/20/69/26/389206926.db2.gz QYOUQYAFZYQSQL-AAEUAGOBSA-N 2 2 296.415 0.637 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC(=O)NC2CC2)[C@@H](C)C1 ZINC000245436410 389206928 /nfs/dbraw/zinc/20/69/28/389206928.db2.gz QYOUQYAFZYQSQL-AAEUAGOBSA-N 2 2 296.415 0.637 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC(=O)NC2CC2)[C@@H](C)C1 ZINC000245436410 389206929 /nfs/dbraw/zinc/20/69/29/389206929.db2.gz QYOUQYAFZYQSQL-AAEUAGOBSA-N 2 2 296.415 0.637 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC(=O)NC2CC2)[C@@H](C)C1 ZINC000245436410 389206931 /nfs/dbraw/zinc/20/69/31/389206931.db2.gz QYOUQYAFZYQSQL-AAEUAGOBSA-N 2 2 296.415 0.637 20 0 CCADLP O[C@H](CN1CCC[C@@H]1C[NH+]1CCCC1)C[NH+]1CCOCC1 ZINC000246241957 389226088 /nfs/dbraw/zinc/22/60/88/389226088.db2.gz JHWHBRLNCCEVJS-CVEARBPZSA-N 2 2 297.443 0.240 20 0 CCADLP CC(C)OCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000362710987 389239709 /nfs/dbraw/zinc/23/97/09/389239709.db2.gz MWHUMYQHVWAOAB-CYBMUJFWSA-N 2 2 283.416 0.696 20 0 CCADLP CC(C)OCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000362710987 389239713 /nfs/dbraw/zinc/23/97/13/389239713.db2.gz MWHUMYQHVWAOAB-CYBMUJFWSA-N 2 2 283.416 0.696 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N1CCC[N@H+](C)CC1 ZINC000264231542 389314203 /nfs/dbraw/zinc/31/42/03/389314203.db2.gz VVOITEXAZBBRLJ-UHFFFAOYSA-N 2 2 251.334 0.267 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N1CCC[N@@H+](C)CC1 ZINC000264231542 389314205 /nfs/dbraw/zinc/31/42/05/389314205.db2.gz VVOITEXAZBBRLJ-UHFFFAOYSA-N 2 2 251.334 0.267 20 0 CCADLP C[C@H](Nc1nc(N(C)C)cc[nH+]1)[C@@H]1C[N@H+](C)CCO1 ZINC000154782215 389314817 /nfs/dbraw/zinc/31/48/17/389314817.db2.gz CHCJTXVQPLIEJX-QWRGUYRKSA-N 2 2 265.361 0.674 20 0 CCADLP C[C@H](Nc1nc(N(C)C)cc[nH+]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000154782215 389314819 /nfs/dbraw/zinc/31/48/19/389314819.db2.gz CHCJTXVQPLIEJX-QWRGUYRKSA-N 2 2 265.361 0.674 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000346519086 389330615 /nfs/dbraw/zinc/33/06/15/389330615.db2.gz AHQRRURMIZCSSK-KBPBESRZSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+]1CCOCC1 ZINC000346519086 389330618 /nfs/dbraw/zinc/33/06/18/389330618.db2.gz AHQRRURMIZCSSK-KBPBESRZSA-N 2 2 283.416 0.554 20 0 CCADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)NCC(F)(F)F)C[C@@H]12 ZINC000261567931 389272140 /nfs/dbraw/zinc/27/21/40/389272140.db2.gz IWYAXORVDMIGLR-IWSPIJDZSA-N 2 2 265.279 0.334 20 0 CCADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)NCC(F)(F)F)C[C@@H]12 ZINC000261567931 389272141 /nfs/dbraw/zinc/27/21/41/389272141.db2.gz IWYAXORVDMIGLR-IWSPIJDZSA-N 2 2 265.279 0.334 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+][C@H]2CCc3nc(C)nn3C2)[C@@H](C)C1 ZINC000344056726 389277901 /nfs/dbraw/zinc/27/79/01/389277901.db2.gz IJOKEGWNFQJFKE-DRZSPHRISA-N 2 2 263.389 0.831 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+][C@H]2CCc3nc(C)nn3C2)[C@@H](C)C1 ZINC000344056726 389277903 /nfs/dbraw/zinc/27/79/03/389277903.db2.gz IJOKEGWNFQJFKE-DRZSPHRISA-N 2 2 263.389 0.831 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C[C@@H]1C ZINC000263308116 389299474 /nfs/dbraw/zinc/29/94/74/389299474.db2.gz YDMAAZQDTSCAEI-QWRGUYRKSA-N 2 2 291.342 0.163 20 0 CCADLP COCC[N@H+]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C[C@@H]1C ZINC000263308116 389299479 /nfs/dbraw/zinc/29/94/79/389299479.db2.gz YDMAAZQDTSCAEI-QWRGUYRKSA-N 2 2 291.342 0.163 20 0 CCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)CCn1cc[nH+]c1 ZINC000421705435 389370899 /nfs/dbraw/zinc/37/08/99/389370899.db2.gz RJCDTXWBHSODEE-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)CCn1cc[nH+]c1 ZINC000421705435 389370901 /nfs/dbraw/zinc/37/09/01/389370901.db2.gz RJCDTXWBHSODEE-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP CN(C(=O)c1cn[nH]c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370837619 389418241 /nfs/dbraw/zinc/41/82/41/389418241.db2.gz IAWZCGGDNHZVOT-CQSZACIVSA-N 2 2 291.399 0.650 20 0 CCADLP CN(C(=O)c1cn[nH]c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370837619 389418245 /nfs/dbraw/zinc/41/82/45/389418245.db2.gz IAWZCGGDNHZVOT-CQSZACIVSA-N 2 2 291.399 0.650 20 0 CCADLP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+](C)C ZINC000370661332 389410196 /nfs/dbraw/zinc/41/01/96/389410196.db2.gz QHSQMNQANDQJMR-UKRRQHHQSA-N 3 2 296.459 0.611 20 0 CCADLP CC[C@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+](C)C ZINC000370661332 389410199 /nfs/dbraw/zinc/41/01/99/389410199.db2.gz QHSQMNQANDQJMR-UKRRQHHQSA-N 3 2 296.459 0.611 20 0 CCADLP C[C@@H]1C[N@H+](Cc2cc[nH]n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370702756 389411121 /nfs/dbraw/zinc/41/11/21/389411121.db2.gz RDQVNWQYQQRQSR-UKRRQHHQSA-N 2 2 277.416 0.868 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2cc[nH]n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370702756 389411124 /nfs/dbraw/zinc/41/11/24/389411124.db2.gz RDQVNWQYQQRQSR-UKRRQHHQSA-N 2 2 277.416 0.868 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+][C@@H]2CCc3nnnn3CC2)[C@@H](C)C1 ZINC000421400840 389361575 /nfs/dbraw/zinc/36/15/75/389361575.db2.gz SPKKZWRSRCKSHI-TUAOUCFPSA-N 2 2 264.377 0.308 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+][C@@H]2CCc3nnnn3CC2)[C@@H](C)C1 ZINC000421400840 389361578 /nfs/dbraw/zinc/36/15/78/389361578.db2.gz SPKKZWRSRCKSHI-TUAOUCFPSA-N 2 2 264.377 0.308 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCCC[NH2+]C ZINC000422736130 389462770 /nfs/dbraw/zinc/46/27/70/389462770.db2.gz XHOVRFNNZSJUKE-GFCCVEGCSA-N 2 2 257.378 0.213 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCCC[NH2+]C ZINC000422736130 389462774 /nfs/dbraw/zinc/46/27/74/389462774.db2.gz XHOVRFNNZSJUKE-GFCCVEGCSA-N 2 2 257.378 0.213 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1(C)C)[C@H]1CCSC1 ZINC000334262916 389463683 /nfs/dbraw/zinc/46/36/83/389463683.db2.gz CJFXCFIBWKPKOI-LBPRGKRZSA-N 2 2 285.457 0.976 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1(C)C)[C@H]1CCSC1 ZINC000334262916 389463687 /nfs/dbraw/zinc/46/36/87/389463687.db2.gz CJFXCFIBWKPKOI-LBPRGKRZSA-N 2 2 285.457 0.976 20 0 CCADLP C[NH+](CC(=O)N1CC[N@H+](C)CC1(C)C)[C@H]1CCSC1 ZINC000334262916 389463690 /nfs/dbraw/zinc/46/36/90/389463690.db2.gz CJFXCFIBWKPKOI-LBPRGKRZSA-N 2 2 285.457 0.976 20 0 CCADLP C[NH+](CC(=O)N1CC[N@@H+](C)CC1(C)C)[C@H]1CCSC1 ZINC000334262916 389463692 /nfs/dbraw/zinc/46/36/92/389463692.db2.gz CJFXCFIBWKPKOI-LBPRGKRZSA-N 2 2 285.457 0.976 20 0 CCADLP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000422745487 389465411 /nfs/dbraw/zinc/46/54/11/389465411.db2.gz VGUHAHIJLIHSDL-KKUMJFAQSA-N 3 2 268.449 0.743 20 0 CCADLP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422744773 389465545 /nfs/dbraw/zinc/46/55/45/389465545.db2.gz UEKUFHROBQBROZ-ILXRZTDVSA-N 3 2 268.449 0.743 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCC[NH+](CC)CC ZINC000422748770 389466467 /nfs/dbraw/zinc/46/64/67/389466467.db2.gz WARCJOGPQDMFLH-NWDGAFQWSA-N 2 2 257.378 0.211 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000422750285 389466502 /nfs/dbraw/zinc/46/65/02/389466502.db2.gz CQKBCKNMKYEEMN-RBSFLKMASA-N 2 2 297.443 0.992 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000422750285 389466508 /nfs/dbraw/zinc/46/65/08/389466508.db2.gz CQKBCKNMKYEEMN-RBSFLKMASA-N 2 2 297.443 0.992 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1NCC[NH+](CC)CC ZINC000422748769 389466913 /nfs/dbraw/zinc/46/69/13/389466913.db2.gz WARCJOGPQDMFLH-NEPJUHHUSA-N 2 2 257.378 0.211 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000422752101 389467479 /nfs/dbraw/zinc/46/74/79/389467479.db2.gz GWNCALBQMYKZID-YIYPIFLZSA-N 3 2 255.406 0.813 20 0 CCADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000422752101 389467484 /nfs/dbraw/zinc/46/74/84/389467484.db2.gz GWNCALBQMYKZID-YIYPIFLZSA-N 3 2 255.406 0.813 20 0 CCADLP O=C(NC[C@H]1CCC[NH2+]C1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000422751015 389467956 /nfs/dbraw/zinc/46/79/56/389467956.db2.gz AUODWFBSNQLIAH-DZGCQCFKSA-N 2 2 295.427 0.746 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000373256079 389468045 /nfs/dbraw/zinc/46/80/45/389468045.db2.gz AGJUZRFXSAXYBX-RYUDHWBXSA-N 2 2 275.418 0.224 20 0 CCADLP O=C(NC[C@H]1CCC[NH2+]C1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000422751015 389467959 /nfs/dbraw/zinc/46/79/59/389467959.db2.gz AUODWFBSNQLIAH-DZGCQCFKSA-N 2 2 295.427 0.746 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000373256079 389468046 /nfs/dbraw/zinc/46/80/46/389468046.db2.gz AGJUZRFXSAXYBX-RYUDHWBXSA-N 2 2 275.418 0.224 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000373256079 389468049 /nfs/dbraw/zinc/46/80/49/389468049.db2.gz AGJUZRFXSAXYBX-RYUDHWBXSA-N 2 2 275.418 0.224 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000373256079 389468052 /nfs/dbraw/zinc/46/80/52/389468052.db2.gz AGJUZRFXSAXYBX-RYUDHWBXSA-N 2 2 275.418 0.224 20 0 CCADLP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000422860559 389494169 /nfs/dbraw/zinc/49/41/69/389494169.db2.gz LOPYQPIKKLBDGC-RRFJBIMHSA-N 3 2 268.449 0.743 20 0 CCADLP Cc1cccn2c(C[NH2+][C@H]3CC(=O)N(C)C3)c[nH+]c12 ZINC000334366202 389475260 /nfs/dbraw/zinc/47/52/60/389475260.db2.gz IUDSWPCJIYWNLO-NSHDSACASA-N 2 2 258.325 0.963 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC000422786611 389475957 /nfs/dbraw/zinc/47/59/57/389475957.db2.gz KVDIBLCRWSJHQK-SMDDNHRTSA-N 2 2 277.368 0.638 20 0 CCADLP CC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422791868 389476676 /nfs/dbraw/zinc/47/66/76/389476676.db2.gz VLFUMONSVMYRQN-GJZGRUSLSA-N 3 2 268.449 0.744 20 0 CCADLP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000422808202 389479046 /nfs/dbraw/zinc/47/90/46/389479046.db2.gz NUJOBYWVKBFLSY-GJZGRUSLSA-N 2 2 295.427 0.555 20 0 CCADLP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000422808202 389479050 /nfs/dbraw/zinc/47/90/50/389479050.db2.gz NUJOBYWVKBFLSY-GJZGRUSLSA-N 2 2 295.427 0.555 20 0 CCADLP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000172939895 389494481 /nfs/dbraw/zinc/49/44/81/389494481.db2.gz PWLFCEHGQOVORM-RRFJBIMHSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000172939895 389494485 /nfs/dbraw/zinc/49/44/85/389494485.db2.gz PWLFCEHGQOVORM-RRFJBIMHSA-N 2 2 297.443 0.944 20 0 CCADLP C[NH+](C)C[C@](C)(O)CNc1cc(NC2CC2)nc[nH+]1 ZINC000413209938 389483887 /nfs/dbraw/zinc/48/38/87/389483887.db2.gz UTASSWVKZQDCDP-CYBMUJFWSA-N 2 2 265.361 0.775 20 0 CCADLP C[NH+](C)C[C@](C)(O)CNc1cc(NC2CC2)[nH+]cn1 ZINC000413209938 389483894 /nfs/dbraw/zinc/48/38/94/389483894.db2.gz UTASSWVKZQDCDP-CYBMUJFWSA-N 2 2 265.361 0.775 20 0 CCADLP CCC[N@H+](CC)CCN[C@H]1CC[NH2+][C@H]1C(=O)OCC ZINC000422825853 389484179 /nfs/dbraw/zinc/48/41/79/389484179.db2.gz QBMJZSBHJMHGBY-QWHCGFSZSA-N 2 2 271.405 0.602 20 0 CCADLP CCC[N@@H+](CC)CCN[C@H]1CC[NH2+][C@H]1C(=O)OCC ZINC000422825853 389484181 /nfs/dbraw/zinc/48/41/81/389484181.db2.gz QBMJZSBHJMHGBY-QWHCGFSZSA-N 2 2 271.405 0.602 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC[NH2+]1 ZINC000422840637 389488564 /nfs/dbraw/zinc/48/85/64/389488564.db2.gz UGNAFDHDUFSHQK-TZMCWYRMSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC[NH2+]1 ZINC000422840637 389488567 /nfs/dbraw/zinc/48/85/67/389488567.db2.gz UGNAFDHDUFSHQK-TZMCWYRMSA-N 2 2 281.400 0.450 20 0 CCADLP Cn1cc([C@@H]2C[N@H+](CC[C@H]3CCC[NH2+]C3)C[C@H]2[NH3+])cn1 ZINC000333594225 389432712 /nfs/dbraw/zinc/43/27/12/389432712.db2.gz PNDCKHINOHIODO-VHDGCEQUSA-N 3 2 277.416 0.536 20 0 CCADLP Cn1cc([C@@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)C[C@H]2[NH3+])cn1 ZINC000333594225 389432716 /nfs/dbraw/zinc/43/27/16/389432716.db2.gz PNDCKHINOHIODO-VHDGCEQUSA-N 3 2 277.416 0.536 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCCC[N@H+]1CCC[C@H]1CO ZINC000270711828 389435343 /nfs/dbraw/zinc/43/53/43/389435343.db2.gz VEWYJXLUBYIZBN-AWEZNQCLSA-N 2 2 294.399 0.626 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000270711828 389435346 /nfs/dbraw/zinc/43/53/46/389435346.db2.gz VEWYJXLUBYIZBN-AWEZNQCLSA-N 2 2 294.399 0.626 20 0 CCADLP O=C(NCCCNc1cccc[nH+]1)[C@H]1CCC[NH2+]C1 ZINC000165233999 389439307 /nfs/dbraw/zinc/43/93/07/389439307.db2.gz MYDHFMZOENUGHF-LBPRGKRZSA-N 2 2 262.357 0.999 20 0 CCADLP C[C@@H]1[NH2+]CCN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)[C@H]1C ZINC000333796256 389444090 /nfs/dbraw/zinc/44/40/90/389444090.db2.gz NHOHNZGWKJSDSK-GARJFASQSA-N 2 2 277.372 0.659 20 0 CCADLP C[C@@H]1[NH2+]CCN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)[C@H]1C ZINC000333796256 389444094 /nfs/dbraw/zinc/44/40/94/389444094.db2.gz NHOHNZGWKJSDSK-GARJFASQSA-N 2 2 277.372 0.659 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC(C)(C)CC[NH3+] ZINC000422592970 389444183 /nfs/dbraw/zinc/44/41/83/389444183.db2.gz PCOCUBHECUUOLE-LLVKDONJSA-N 2 2 272.393 0.134 20 0 CCADLP Cc1cc(CNC(=O)C(=O)N(C)CC[NH+](C)C)cc(C)[nH+]1 ZINC000422595694 389444289 /nfs/dbraw/zinc/44/42/89/389444289.db2.gz ZTXCEXDULASXTC-UHFFFAOYSA-N 2 2 292.383 0.335 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@H]2CSC[NH2+]2)CC[N@@H+]1CCOC ZINC000168058704 389448266 /nfs/dbraw/zinc/44/82/66/389448266.db2.gz ICMYTYDPTCFLIL-VXGBXAGGSA-N 2 2 287.429 0.218 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@H]2CSC[NH2+]2)CC[N@H+]1CCOC ZINC000168058704 389448268 /nfs/dbraw/zinc/44/82/68/389448268.db2.gz ICMYTYDPTCFLIL-VXGBXAGGSA-N 2 2 287.429 0.218 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000334051200 389453793 /nfs/dbraw/zinc/45/37/93/389453793.db2.gz RXSCHANNMWKAFZ-RDBSUJKOSA-N 2 2 298.431 0.489 20 0 CCADLP C(CN1CCSCC1)[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422710340 389456843 /nfs/dbraw/zinc/45/68/43/389456843.db2.gz LRVOVJLOPYKAKG-UONOGXRCSA-N 2 2 285.457 0.392 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@@H](C)[NH+]1CCOCC1)[C@@H](C)[NH3+] ZINC000423335681 389568467 /nfs/dbraw/zinc/56/84/67/389568467.db2.gz UCKOZRRYDVTFHL-UPJWGTAASA-N 2 2 271.405 0.443 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000422968531 389511277 /nfs/dbraw/zinc/51/12/77/389511277.db2.gz WWAVQJXUYJUTEG-SOUVJXGZSA-N 2 2 297.443 0.990 20 0 CCADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C[NH3+])CC1 ZINC000335006372 389523726 /nfs/dbraw/zinc/52/37/26/389523726.db2.gz MBJRDNQFXLTXSH-JTQLQIEISA-N 2 2 253.371 0.912 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCF)C2)CC1 ZINC000373874058 389524303 /nfs/dbraw/zinc/52/43/03/389524303.db2.gz ZPLSJGOIFBOMHC-NSHDSACASA-N 2 2 272.368 0.424 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCF)C2)CC1 ZINC000373874058 389524307 /nfs/dbraw/zinc/52/43/07/389524307.db2.gz ZPLSJGOIFBOMHC-NSHDSACASA-N 2 2 272.368 0.424 20 0 CCADLP CC(C)C[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)C(=O)NCC[NH+](C)C ZINC000423028459 389525769 /nfs/dbraw/zinc/52/57/69/389525769.db2.gz QTGWASCOQJRLLI-ILXRZTDVSA-N 3 2 298.475 0.809 20 0 CCADLP C[C@@H]1CN(C(=O)CC(C)(C)O)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000350670329 389532276 /nfs/dbraw/zinc/53/22/76/389532276.db2.gz RSVKFDSJISSZRM-CYBMUJFWSA-N 2 2 297.443 0.774 20 0 CCADLP C[C@@H]1CN(C(=O)CC(C)(C)O)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000350670329 389532279 /nfs/dbraw/zinc/53/22/79/389532279.db2.gz RSVKFDSJISSZRM-CYBMUJFWSA-N 2 2 297.443 0.774 20 0 CCADLP C[C@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423112864 389536019 /nfs/dbraw/zinc/53/60/19/389536019.db2.gz SNYPYOPMXRHXHP-SRVKXCTJSA-N 2 2 295.349 0.980 20 0 CCADLP C[C@H]([NH2+][C@H](CO)C[C@H](O)C(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000423109696 389536326 /nfs/dbraw/zinc/53/63/26/389536326.db2.gz SXOOMVUTJKVJDF-CYDGBPFRSA-N 2 2 258.406 0.875 20 0 CCADLP CC(C)[C@H](CO)C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423110941 389536753 /nfs/dbraw/zinc/53/67/53/389536753.db2.gz PODOZUJNUIQMAZ-MELADBBJSA-N 2 2 256.390 0.608 20 0 CCADLP CCC[N@H+](CC)C[C@@H](C)N[C@H]1CC[NH2+][C@H]1C(=O)OCC ZINC000423138337 389541621 /nfs/dbraw/zinc/54/16/21/389541621.db2.gz IWEWZOPDUMKBFX-HZSPNIEDSA-N 2 2 285.432 0.990 20 0 CCADLP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1CC[NH2+][C@H]1C(=O)OCC ZINC000423138337 389541624 /nfs/dbraw/zinc/54/16/24/389541624.db2.gz IWEWZOPDUMKBFX-HZSPNIEDSA-N 2 2 285.432 0.990 20 0 CCADLP CCC[C@H](C)C(=O)NCC[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000423138193 389542163 /nfs/dbraw/zinc/54/21/63/389542163.db2.gz XJVCOEPNWFJCEP-IHRRRGAJSA-N 2 2 285.432 0.895 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000423172131 389548140 /nfs/dbraw/zinc/54/81/40/389548140.db2.gz RLWDPKZZYHTQRG-CABCVRRESA-N 2 2 297.443 0.455 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NCC1([NH+]2CCOCC2)CCOCC1 ZINC000423172131 389548144 /nfs/dbraw/zinc/54/81/44/389548144.db2.gz RLWDPKZZYHTQRG-CABCVRRESA-N 2 2 297.443 0.455 20 0 CCADLP CC[C@H](C(=O)N1CC[N@H+](CCC(=O)OC)[C@H](C)C1)[NH+](C)C ZINC000413679105 389548698 /nfs/dbraw/zinc/54/86/98/389548698.db2.gz YJCPKXOYRHMOFU-CHWSQXEVSA-N 2 2 299.415 0.422 20 0 CCADLP CC[C@H](C(=O)N1CC[N@@H+](CCC(=O)OC)[C@H](C)C1)[NH+](C)C ZINC000413679105 389548700 /nfs/dbraw/zinc/54/87/00/389548700.db2.gz YJCPKXOYRHMOFU-CHWSQXEVSA-N 2 2 299.415 0.422 20 0 CCADLP O[C@@H](Cn1cccn1)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374211281 389559103 /nfs/dbraw/zinc/55/91/03/389559103.db2.gz ZEWXTVLDNTZEBQ-CYBMUJFWSA-N 2 2 275.356 0.847 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCO[C@@H](C(C)C)C2)CC1 ZINC000351093662 389564043 /nfs/dbraw/zinc/56/40/43/389564043.db2.gz BKERKUAVWAVWQZ-HUUCEWRRSA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCO[C@@H](C(C)C)C2)CC1 ZINC000351093662 389564045 /nfs/dbraw/zinc/56/40/45/389564045.db2.gz BKERKUAVWAVWQZ-HUUCEWRRSA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCO[C@@H](C(C)C)C2)CC1 ZINC000351136540 389565984 /nfs/dbraw/zinc/56/59/84/389565984.db2.gz APGMZKSODRNVLV-OAHLLOKOSA-N 2 2 297.443 0.944 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCO[C@@H](C(C)C)C2)CC1 ZINC000351136540 389565989 /nfs/dbraw/zinc/56/59/89/389565989.db2.gz APGMZKSODRNVLV-OAHLLOKOSA-N 2 2 297.443 0.944 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@H]([NH3+])C2CCC2)c[nH+]1 ZINC000423331381 389566762 /nfs/dbraw/zinc/56/67/62/389566762.db2.gz QHJKNJSLOLERQH-CYBMUJFWSA-N 2 2 262.357 0.891 20 0 CCADLP C[NH+](C)C1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000373574880 389498020 /nfs/dbraw/zinc/49/80/20/389498020.db2.gz FOSRGPAJLOODAP-AWEZNQCLSA-N 2 2 281.400 0.402 20 0 CCADLP C[NH+](C)C1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000373574880 389498021 /nfs/dbraw/zinc/49/80/21/389498021.db2.gz FOSRGPAJLOODAP-AWEZNQCLSA-N 2 2 281.400 0.402 20 0 CCADLP CCOC(=O)[C@@](C)(O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000274220579 389501372 /nfs/dbraw/zinc/50/13/72/389501372.db2.gz RIFPLTLOGIUWGP-AWEZNQCLSA-N 2 2 281.356 0.834 20 0 CCADLP COCC[NH2+]CC[NH2+][C@@H]1COc2ccc(OC)cc2C1 ZINC000423335158 389568169 /nfs/dbraw/zinc/56/81/69/389568169.db2.gz POQIGFYPCBWXCU-ZDUSSCGKSA-N 2 2 280.368 0.824 20 0 CCADLP CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414310079 389611694 /nfs/dbraw/zinc/61/16/94/389611694.db2.gz YTXRJHKMWAFFFS-MNOVXSKESA-N 2 2 281.404 0.879 20 0 CCADLP COc1c(O)cccc1C[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414959392 389647855 /nfs/dbraw/zinc/64/78/55/389647855.db2.gz FHBBMDDSAJLCNJ-LBPRGKRZSA-N 2 2 265.357 0.394 20 0 CCADLP C[C@@H]1C[C@@H](C[NH+]2CCN(Cc3[nH+]ccn3C)CC2)CC[NH2+]1 ZINC000414700550 389628236 /nfs/dbraw/zinc/62/82/36/389628236.db2.gz TUNVEYDTNNIJDT-CABCVRRESA-N 3 2 291.443 0.926 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(Cn2cncn2)CC1)C1CC1 ZINC000351608707 389632744 /nfs/dbraw/zinc/63/27/44/389632744.db2.gz IRRDCGFFRQJDPI-OAHLLOKOSA-N 2 2 293.415 0.445 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(Cn2cncn2)CC1)C1CC1 ZINC000351608707 389632745 /nfs/dbraw/zinc/63/27/45/389632745.db2.gz IRRDCGFFRQJDPI-OAHLLOKOSA-N 2 2 293.415 0.445 20 0 CCADLP COC(=O)[C@@H]1COCC[N@@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414744276 389634380 /nfs/dbraw/zinc/63/43/80/389634380.db2.gz PIISQLNMAQXLGK-WOPDTQHZSA-N 2 2 256.346 0.248 20 0 CCADLP COC(=O)[C@@H]1COCC[N@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414744276 389634384 /nfs/dbraw/zinc/63/43/84/389634384.db2.gz PIISQLNMAQXLGK-WOPDTQHZSA-N 2 2 256.346 0.248 20 0 CCADLP COC(=O)CCn1nc(C)c(C[NH2+][C@@H]2CCC[NH2+]C2)c1C ZINC000414866200 389641638 /nfs/dbraw/zinc/64/16/38/389641638.db2.gz MMGWTABOBYUJJX-CYBMUJFWSA-N 2 2 294.399 0.905 20 0 CCADLP COCC[NH2+]CCNCc1cc(OC)cc(C)[nH+]1 ZINC000414879414 389642426 /nfs/dbraw/zinc/64/24/26/389642426.db2.gz HYYBHWLTXDUWCU-UHFFFAOYSA-N 2 2 253.346 0.724 20 0 CCADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000414892791 389643707 /nfs/dbraw/zinc/64/37/07/389643707.db2.gz YOICTLQMNGMYPI-PSASIEDQSA-N 2 2 273.178 0.986 20 0 CCADLP C[C@H]1CC[NH2+][C@@H](C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000423371719 389575142 /nfs/dbraw/zinc/57/51/42/389575142.db2.gz HUOYZWRLFHGYMZ-QWHCGFSZSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@H]1CC[NH2+][C@@H](C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000423371719 389575147 /nfs/dbraw/zinc/57/51/47/389575147.db2.gz HUOYZWRLFHGYMZ-QWHCGFSZSA-N 2 2 283.416 0.602 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@@H]1[NH2+]CCCC1(C)C ZINC000423402653 389579950 /nfs/dbraw/zinc/57/99/50/389579950.db2.gz YUBOIQPVPMZTAU-FRRDWIJNSA-N 2 2 283.416 0.648 20 0 CCADLP C[NH2+][C@@H](C)C[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000423401530 389580015 /nfs/dbraw/zinc/58/00/15/389580015.db2.gz VXWUWXQPUCMBRN-IINYFYTJSA-N 2 2 297.424 0.909 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000279505781 389583389 /nfs/dbraw/zinc/58/33/89/389583389.db2.gz TTXYIMHPQPRCNF-UHFFFAOYSA-N 2 2 268.361 0.427 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000279505781 389583392 /nfs/dbraw/zinc/58/33/92/389583392.db2.gz TTXYIMHPQPRCNF-UHFFFAOYSA-N 2 2 268.361 0.427 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)[C@@H]2C[C@H](C)CC[NH2+]2)CC1 ZINC000423428802 389585376 /nfs/dbraw/zinc/58/53/76/389585376.db2.gz RTGBNHOMFZUDEM-CABCVRRESA-N 2 2 297.443 0.944 20 0 CCADLP COc1coc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1=O ZINC000351477314 389586757 /nfs/dbraw/zinc/58/67/57/389586757.db2.gz NGNUQSHTMCVCQM-WCQGTBRESA-N 2 2 264.325 0.818 20 0 CCADLP COc1coc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1=O ZINC000351477314 389586760 /nfs/dbraw/zinc/58/67/60/389586760.db2.gz NGNUQSHTMCVCQM-WCQGTBRESA-N 2 2 264.325 0.818 20 0 CCADLP Cc1nc(N2CCC[N@H+](CCO)CC2)c(C)c(C)[nH+]1 ZINC000177825062 389592586 /nfs/dbraw/zinc/59/25/86/389592586.db2.gz XPFSXFXDMJLITR-UHFFFAOYSA-N 2 2 264.373 0.906 20 0 CCADLP Cc1nc(N2CCC[N@@H+](CCO)CC2)c(C)c(C)[nH+]1 ZINC000177825062 389592589 /nfs/dbraw/zinc/59/25/89/389592589.db2.gz XPFSXFXDMJLITR-UHFFFAOYSA-N 2 2 264.373 0.906 20 0 CCADLP Cc1cc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)on1 ZINC000351502027 389597219 /nfs/dbraw/zinc/59/72/19/389597219.db2.gz YTQZMQIRDKVATH-YFKTTZPYSA-N 2 2 278.356 0.979 20 0 CCADLP Cc1cc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)on1 ZINC000351502027 389597222 /nfs/dbraw/zinc/59/72/22/389597222.db2.gz YTQZMQIRDKVATH-YFKTTZPYSA-N 2 2 278.356 0.979 20 0 CCADLP CC[C@@H](C(=O)N(C)C(C)(C)C[NH+]1CCOCC1)[NH+](C)C ZINC000414041026 389597693 /nfs/dbraw/zinc/59/76/93/389597693.db2.gz LUIHTGYVVGPDCT-ZDUSSCGKSA-N 2 2 285.432 0.896 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000414053527 389598593 /nfs/dbraw/zinc/59/85/93/389598593.db2.gz SFHRVJDWVWSVIA-UHFFFAOYSA-N 2 2 285.432 0.897 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000414053527 389598597 /nfs/dbraw/zinc/59/85/97/389598597.db2.gz SFHRVJDWVWSVIA-UHFFFAOYSA-N 2 2 285.432 0.897 20 0 CCADLP COc1cc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCN2C)c(F)cn1 ZINC000423526025 389599886 /nfs/dbraw/zinc/59/98/86/389599886.db2.gz UWFQHYMQMOQDJE-GHMZBOCLSA-N 2 2 282.363 0.784 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000423535467 389601304 /nfs/dbraw/zinc/60/13/04/389601304.db2.gz XSDRISADICVCAT-GUTXKFCHSA-N 2 2 295.427 0.826 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000423535467 389601308 /nfs/dbraw/zinc/60/13/08/389601308.db2.gz XSDRISADICVCAT-GUTXKFCHSA-N 2 2 295.427 0.826 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000423749445 389607313 /nfs/dbraw/zinc/60/73/13/389607313.db2.gz RRJLDJPFHWQQCV-HNNXBMFYSA-N 2 2 291.395 0.867 20 0 CCADLP C[C@@H](C[NH3+])C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000375835831 389718314 /nfs/dbraw/zinc/71/83/14/389718314.db2.gz ZMFHDEHFGWHTAY-AWEZNQCLSA-N 3 2 296.459 0.648 20 0 CCADLP COc1cc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)ccc1C ZINC000414976079 389650471 /nfs/dbraw/zinc/65/04/71/389650471.db2.gz NJFMFQNKLXVZQZ-AWEZNQCLSA-N 2 2 263.385 0.997 20 0 CCADLP COc1cc2c(c(C[N@H+](C)C[C@@H](O)C[NH3+])c1)O[C@H](C)C2 ZINC000415055448 389653870 /nfs/dbraw/zinc/65/38/70/389653870.db2.gz NAWAVXBBVMBXAZ-MFKMUULPSA-N 2 2 280.368 0.770 20 0 CCADLP COc1cc2c(c(C[N@@H+](C)C[C@@H](O)C[NH3+])c1)O[C@H](C)C2 ZINC000415055448 389653874 /nfs/dbraw/zinc/65/38/74/389653874.db2.gz NAWAVXBBVMBXAZ-MFKMUULPSA-N 2 2 280.368 0.770 20 0 CCADLP CNC(=O)c1cccc(CC[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000415079937 389655672 /nfs/dbraw/zinc/65/56/72/389655672.db2.gz IUPMCDFVQYIAPG-AWEZNQCLSA-N 2 2 261.369 0.930 20 0 CCADLP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1nccs1 ZINC000179423617 389656120 /nfs/dbraw/zinc/65/61/20/389656120.db2.gz DPZHZDSAQGBHEK-LLVKDONJSA-N 2 2 282.413 0.958 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2C[NH2+]CCO2)C[C@@H]1C ZINC000415098596 389657845 /nfs/dbraw/zinc/65/78/45/389657845.db2.gz WFBOLZXGPIEOQV-IGQOVBAYSA-N 2 2 284.400 0.932 20 0 CCADLP CCc1nn(C)c(CC)c1C[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415095704 389658200 /nfs/dbraw/zinc/65/82/00/389658200.db2.gz NSBIHMDDQOJMRB-LLVKDONJSA-N 2 2 266.389 0.623 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C[C@H]2C[NH2+]CCO2)cc1 ZINC000415095628 389658494 /nfs/dbraw/zinc/65/84/94/389658494.db2.gz NMBDJEYCACJYNK-CYBMUJFWSA-N 2 2 264.325 0.551 20 0 CCADLP CC(C)[NH2+]C1CC[NH+](CCCOC(=O)NC(N)=O)CC1 ZINC000180579474 389671979 /nfs/dbraw/zinc/67/19/79/389671979.db2.gz FAWMFDUKNUXVDS-UHFFFAOYSA-N 2 2 286.376 0.644 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428032943 389685089 /nfs/dbraw/zinc/68/50/89/389685089.db2.gz AEKIKVHJUSIFBF-SDDRHHMPSA-N 2 2 282.388 0.293 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428032943 389685092 /nfs/dbraw/zinc/68/50/92/389685092.db2.gz AEKIKVHJUSIFBF-SDDRHHMPSA-N 2 2 282.388 0.293 20 0 CCADLP CC(C)N1CC[C@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1=O ZINC000428044107 389685155 /nfs/dbraw/zinc/68/51/55/389685155.db2.gz JOSRIIXQDCGUPA-AGIUHOORSA-N 2 2 251.374 0.680 20 0 CCADLP CC(C)N1CC[C@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1=O ZINC000428044107 389685157 /nfs/dbraw/zinc/68/51/57/389685157.db2.gz JOSRIIXQDCGUPA-AGIUHOORSA-N 2 2 251.374 0.680 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2cnoc2C)CC1 ZINC000181684273 389691283 /nfs/dbraw/zinc/69/12/83/389691283.db2.gz MVPDPBPGLIOZRX-UHFFFAOYSA-N 2 2 294.399 0.969 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCOCC12CCCC2 ZINC000388538081 389770057 /nfs/dbraw/zinc/77/00/57/389770057.db2.gz RHVYWFAGJKTDRW-ZDUSSCGKSA-N 2 2 256.390 0.944 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCOCC12CCCC2 ZINC000388538081 389770058 /nfs/dbraw/zinc/77/00/58/389770058.db2.gz RHVYWFAGJKTDRW-ZDUSSCGKSA-N 2 2 256.390 0.944 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCOCC12CCCC2 ZINC000388538081 389770059 /nfs/dbraw/zinc/77/00/59/389770059.db2.gz RHVYWFAGJKTDRW-ZDUSSCGKSA-N 2 2 256.390 0.944 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCOCC12CCCC2 ZINC000388538081 389770060 /nfs/dbraw/zinc/77/00/60/389770060.db2.gz RHVYWFAGJKTDRW-ZDUSSCGKSA-N 2 2 256.390 0.944 20 0 CCADLP [NH3+][C@H](CNC(=O)NCCn1cc[nH+]c1)c1ccccc1 ZINC000416859896 389776907 /nfs/dbraw/zinc/77/69/07/389776907.db2.gz UYKJRTSNPBQILQ-CYBMUJFWSA-N 2 2 273.340 0.882 20 0 CCADLP [NH3+]CCNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000416948552 389783601 /nfs/dbraw/zinc/78/36/01/389783601.db2.gz ZHVAXDFNPQNNII-UHFFFAOYSA-N 2 2 277.372 0.830 20 0 CCADLP C[C@H](CNC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000417001646 389788428 /nfs/dbraw/zinc/78/84/28/389788428.db2.gz FBMMZFMLJJLMKZ-MGPQQGTHSA-N 2 2 298.431 0.476 20 0 CCADLP C[N@@H+]1CCc2ncnc(NCC[NH+]3CCSCC3)c2C1 ZINC000352315965 389789398 /nfs/dbraw/zinc/78/93/98/389789398.db2.gz QVTYMZMEBGUSEI-UHFFFAOYSA-N 2 2 293.440 0.347 20 0 CCADLP C[N@H+]1CCc2ncnc(NCC[NH+]3CCSCC3)c2C1 ZINC000352315965 389789400 /nfs/dbraw/zinc/78/94/00/389789400.db2.gz QVTYMZMEBGUSEI-UHFFFAOYSA-N 2 2 293.440 0.347 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000417018813 389790366 /nfs/dbraw/zinc/79/03/66/389790366.db2.gz FMJXSMBDYWGBOJ-RDBSUJKOSA-N 2 2 298.431 0.476 20 0 CCADLP [NH3+]CCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000417040530 389791574 /nfs/dbraw/zinc/79/15/74/389791574.db2.gz OZHHDWMLAJAGMW-CQSZACIVSA-N 2 2 292.383 0.318 20 0 CCADLP CC(C)[C@@H](C(=O)NCC(C)(C)[NH+]1CCOCC1)[C@H](C)[NH3+] ZINC000399617158 389792634 /nfs/dbraw/zinc/79/26/34/389792634.db2.gz ZMBCHQFHSOQCAS-QWHCGFSZSA-N 2 2 285.432 0.833 20 0 CCADLP CN(CC[NH3+])C(=O)NCCCNc1cccc[nH+]1 ZINC000417077717 389793925 /nfs/dbraw/zinc/79/39/25/389793925.db2.gz LJIAKVDZVMRHSS-UHFFFAOYSA-N 2 2 251.334 0.484 20 0 CCADLP COC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)[C@H]1CCCO1 ZINC000352358923 389796855 /nfs/dbraw/zinc/79/68/55/389796855.db2.gz ZYQHJKNBDFKIIR-MELADBBJSA-N 2 2 272.389 0.225 20 0 CCADLP COC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)[C@H]1CCCO1 ZINC000352358923 389796859 /nfs/dbraw/zinc/79/68/59/389796859.db2.gz ZYQHJKNBDFKIIR-MELADBBJSA-N 2 2 272.389 0.225 20 0 CCADLP C[C@H]([NH3+])C1CCN(C(=O)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000428925809 389726601 /nfs/dbraw/zinc/72/66/01/389726601.db2.gz WUVSYWMTEYCIFV-RYUDHWBXSA-N 2 2 269.389 0.293 20 0 CCADLP C[C@@H]1CCN(C(=O)NCC[NH+]2CCOCC2)[C@@H](C[NH3+])C1 ZINC000416432058 389741810 /nfs/dbraw/zinc/74/18/10/389741810.db2.gz DFYNQGLMWMVGNA-CHWSQXEVSA-N 2 2 284.404 0.087 20 0 CCADLP C[C@H](C(=O)N1CCC[C@@H]([NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000430437982 389801848 /nfs/dbraw/zinc/80/18/48/389801848.db2.gz WXWQTYBOXXQOPI-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CC1(C)NC(=O)N(CCC[N@@H+]2CCC[C@@H]2C[NH3+])C1=O ZINC000430547618 389807170 /nfs/dbraw/zinc/80/71/70/389807170.db2.gz UWPQIAAYDMOKIL-SNVBAGLBSA-N 2 2 268.361 0.130 20 0 CCADLP CC1(C)NC(=O)N(CCC[N@H+]2CCC[C@@H]2C[NH3+])C1=O ZINC000430547618 389807172 /nfs/dbraw/zinc/80/71/72/389807172.db2.gz UWPQIAAYDMOKIL-SNVBAGLBSA-N 2 2 268.361 0.130 20 0 CCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C)C1 ZINC000430567941 389808474 /nfs/dbraw/zinc/80/84/74/389808474.db2.gz BPERPYOGVDJICS-HIFRSBDPSA-N 2 2 298.431 0.077 20 0 CCADLP CO[C@H](C)c1noc(C[NH+]2CCC(C[NH3+])CC2)n1 ZINC000430588874 389810777 /nfs/dbraw/zinc/81/07/77/389810777.db2.gz ATSAPMJRKFCLRS-SECBINFHSA-N 2 2 254.334 0.948 20 0 CCADLP C[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C1CC[NH2+]CC1 ZINC000430601214 389811290 /nfs/dbraw/zinc/81/12/90/389811290.db2.gz JDGAAHFGFCKPIL-UHFFFAOYSA-N 2 2 296.293 0.058 20 0 CCADLP C[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C1CC[NH2+]CC1 ZINC000430601214 389811292 /nfs/dbraw/zinc/81/12/92/389811292.db2.gz JDGAAHFGFCKPIL-UHFFFAOYSA-N 2 2 296.293 0.058 20 0 CCADLP [NH3+][C@H]1CC[N@H+](CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000430608455 389811887 /nfs/dbraw/zinc/81/18/87/389811887.db2.gz FKKQUZRGWYPXIP-ZDUSSCGKSA-N 2 2 290.367 0.436 20 0 CCADLP [NH3+][C@H]1CC[N@@H+](CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000430608455 389811890 /nfs/dbraw/zinc/81/18/90/389811890.db2.gz FKKQUZRGWYPXIP-ZDUSSCGKSA-N 2 2 290.367 0.436 20 0 CCADLP C[N@H+](CC(=O)NCc1cccnc1)C1CC[NH2+]CC1 ZINC000430616776 389813518 /nfs/dbraw/zinc/81/35/18/389813518.db2.gz HPWBQDFMZUCMGY-UHFFFAOYSA-N 2 2 262.357 0.382 20 0 CCADLP C[N@@H+](CC(=O)NCc1cccnc1)C1CC[NH2+]CC1 ZINC000430616776 389813520 /nfs/dbraw/zinc/81/35/20/389813520.db2.gz HPWBQDFMZUCMGY-UHFFFAOYSA-N 2 2 262.357 0.382 20 0 CCADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000417422422 389814903 /nfs/dbraw/zinc/81/49/03/389814903.db2.gz KYDBTVOKWGXLBZ-OLZOCXBDSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000417422422 389814907 /nfs/dbraw/zinc/81/49/07/389814907.db2.gz KYDBTVOKWGXLBZ-OLZOCXBDSA-N 2 2 298.431 0.476 20 0 CCADLP C[N@H+](CCNS(=O)(=O)c1ccccc1)C1CC[NH2+]CC1 ZINC000430650653 389816723 /nfs/dbraw/zinc/81/67/23/389816723.db2.gz KSBUPQOESXBWHP-UHFFFAOYSA-N 2 2 297.424 0.649 20 0 CCADLP C[N@@H+](CCNS(=O)(=O)c1ccccc1)C1CC[NH2+]CC1 ZINC000430650653 389816724 /nfs/dbraw/zinc/81/67/24/389816724.db2.gz KSBUPQOESXBWHP-UHFFFAOYSA-N 2 2 297.424 0.649 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000430660080 389817392 /nfs/dbraw/zinc/81/73/92/389817392.db2.gz CKMGWLXBWYFXFJ-CQSZACIVSA-N 2 2 285.432 0.851 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000430660080 389817395 /nfs/dbraw/zinc/81/73/95/389817395.db2.gz CKMGWLXBWYFXFJ-CQSZACIVSA-N 2 2 285.432 0.851 20 0 CCADLP C[C@H]1CN(C(=O)NCC[N@@H+]2CCOCC2(C)C)[C@@H](C)C[NH2+]1 ZINC000417501484 389821973 /nfs/dbraw/zinc/82/19/73/389821973.db2.gz IVKMHPXDTCHJTJ-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H]1CN(C(=O)NCC[N@H+]2CCOCC2(C)C)[C@@H](C)C[NH2+]1 ZINC000417501484 389821977 /nfs/dbraw/zinc/82/19/77/389821977.db2.gz IVKMHPXDTCHJTJ-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP CN(C)c1ccc(CNC(=O)C(C)(C)C[NH3+])c[nH+]1 ZINC000430765865 389824319 /nfs/dbraw/zinc/82/43/19/389824319.db2.gz WCMYTZKLIPIZKF-UHFFFAOYSA-N 2 2 250.346 0.749 20 0 CCADLP C[C@H]1CN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC[C@@H]1[NH3+] ZINC000417511497 389824337 /nfs/dbraw/zinc/82/43/37/389824337.db2.gz UICYMEYRKSVPBZ-STQMWFEESA-N 2 2 298.431 0.476 20 0 CCADLP C[C@H]1CN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC[C@@H]1[NH3+] ZINC000417511497 389824338 /nfs/dbraw/zinc/82/43/38/389824338.db2.gz UICYMEYRKSVPBZ-STQMWFEESA-N 2 2 298.431 0.476 20 0 CCADLP C[NH2+][C@@H]1CCCN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000417521001 389826125 /nfs/dbraw/zinc/82/61/25/389826125.db2.gz OPVYLXGAFGYJQX-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000430844250 389828979 /nfs/dbraw/zinc/82/89/79/389828979.db2.gz JXGAVEZQHFVBOQ-KGLIPLIRSA-N 2 2 283.416 0.733 20 0 CCADLP CCC[C@H]1C[NH2+]CCN1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000417551900 389829118 /nfs/dbraw/zinc/82/91/18/389829118.db2.gz PGIXQHKPSAFTAP-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP CCC[C@H]1C[NH2+]CCN1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000417551900 389829121 /nfs/dbraw/zinc/82/91/21/389829121.db2.gz PGIXQHKPSAFTAP-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000417551898 389829221 /nfs/dbraw/zinc/82/92/21/389829221.db2.gz PGIXQHKPSAFTAP-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000417551898 389829223 /nfs/dbraw/zinc/82/92/23/389829223.db2.gz PGIXQHKPSAFTAP-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)[C@@H](C[NH3+])C1 ZINC000417551982 389829308 /nfs/dbraw/zinc/82/93/08/389829308.db2.gz PJKGHYBAVIDXQD-JHJVBQTASA-N 2 2 284.404 0.086 20 0 CCADLP C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)[C@@H](C[NH3+])C1 ZINC000417551982 389829310 /nfs/dbraw/zinc/82/93/10/389829310.db2.gz PJKGHYBAVIDXQD-JHJVBQTASA-N 2 2 284.404 0.086 20 0 CCADLP C[C@H](C[NH3+])[N@H+](C)CCC(=O)NC(=O)NCC(F)(F)F ZINC000430940211 389837756 /nfs/dbraw/zinc/83/77/56/389837756.db2.gz JGZBVIDJFVCEKK-SSDOTTSWSA-N 2 2 284.282 0.044 20 0 CCADLP C[C@H](C[NH3+])[N@@H+](C)CCC(=O)NC(=O)NCC(F)(F)F ZINC000430940211 389837758 /nfs/dbraw/zinc/83/77/58/389837758.db2.gz JGZBVIDJFVCEKK-SSDOTTSWSA-N 2 2 284.282 0.044 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430958041 389840087 /nfs/dbraw/zinc/84/00/87/389840087.db2.gz WFABPGLCHXCFJC-CHWSQXEVSA-N 2 2 271.405 0.588 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430958041 389840090 /nfs/dbraw/zinc/84/00/90/389840090.db2.gz WFABPGLCHXCFJC-CHWSQXEVSA-N 2 2 271.405 0.588 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430960470 389840780 /nfs/dbraw/zinc/84/07/80/389840780.db2.gz JKIBNSMNSRXRAD-YWVKMMECSA-N 2 2 268.361 0.032 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430960470 389840784 /nfs/dbraw/zinc/84/07/84/389840784.db2.gz JKIBNSMNSRXRAD-YWVKMMECSA-N 2 2 268.361 0.032 20 0 CCADLP C[C@@H](C[NH3+])[N@H+](C)CCN1C(=O)NC2(CCCC2)C1=O ZINC000430964087 389841343 /nfs/dbraw/zinc/84/13/43/389841343.db2.gz XQJCNYDXEOOMAQ-JTQLQIEISA-N 2 2 268.361 0.130 20 0 CCADLP C[C@@H](C[NH3+])[N@@H+](C)CCN1C(=O)NC2(CCCC2)C1=O ZINC000430964087 389841345 /nfs/dbraw/zinc/84/13/45/389841345.db2.gz XQJCNYDXEOOMAQ-JTQLQIEISA-N 2 2 268.361 0.130 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)NC(C2CC2)C2CC2)CC[C@@H]1[NH3+] ZINC000430969171 389841989 /nfs/dbraw/zinc/84/19/89/389841989.db2.gz CDIZLTAVIVPYAS-MFKMUULPSA-N 2 2 265.401 0.960 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)NC(C2CC2)C2CC2)CC[C@@H]1[NH3+] ZINC000430969171 389841991 /nfs/dbraw/zinc/84/19/91/389841991.db2.gz CDIZLTAVIVPYAS-MFKMUULPSA-N 2 2 265.401 0.960 20 0 CCADLP Cn1cc(C[NH+]2CCN(C(=O)C[NH2+]CC3CC3)CC2)cn1 ZINC000431009962 389844067 /nfs/dbraw/zinc/84/40/67/389844067.db2.gz LQCNMRUSCAPCHK-UHFFFAOYSA-N 2 2 291.399 0.064 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000353119476 389846237 /nfs/dbraw/zinc/84/62/37/389846237.db2.gz NWOJDEIXDFEFMY-JHJVBQTASA-N 2 2 272.414 0.590 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000353119476 389846239 /nfs/dbraw/zinc/84/62/39/389846239.db2.gz NWOJDEIXDFEFMY-JHJVBQTASA-N 2 2 272.414 0.590 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000353119476 389846241 /nfs/dbraw/zinc/84/62/41/389846241.db2.gz NWOJDEIXDFEFMY-JHJVBQTASA-N 2 2 272.414 0.590 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000353119476 389846243 /nfs/dbraw/zinc/84/62/43/389846243.db2.gz NWOJDEIXDFEFMY-JHJVBQTASA-N 2 2 272.414 0.590 20 0 CCADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@@H]2CC[C@H]([NH3+])C2)no1 ZINC000431039016 389847583 /nfs/dbraw/zinc/84/75/83/389847583.db2.gz GBXGJPIPSFSWRI-ZJUUUORDSA-N 2 2 295.387 0.610 20 0 CCADLP CCC[N@H+](Cc1cc(=O)n2[nH]ccc2n1)C1CC[NH2+]CC1 ZINC000431093883 389849613 /nfs/dbraw/zinc/84/96/13/389849613.db2.gz OFIJPLVYEWUCID-UHFFFAOYSA-N 2 2 289.383 0.987 20 0 CCADLP CCC[N@@H+](Cc1cc(=O)n2[nH]ccc2n1)C1CC[NH2+]CC1 ZINC000431093883 389849617 /nfs/dbraw/zinc/84/96/17/389849617.db2.gz OFIJPLVYEWUCID-UHFFFAOYSA-N 2 2 289.383 0.987 20 0 CCADLP C[N@H+](CCn1cccn1)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431106260 389850599 /nfs/dbraw/zinc/85/05/99/389850599.db2.gz MHCVVOGTBHONEO-UHFFFAOYSA-N 2 2 264.333 0.592 20 0 CCADLP C[N@@H+](CCn1cccn1)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431106260 389850602 /nfs/dbraw/zinc/85/06/02/389850602.db2.gz MHCVVOGTBHONEO-UHFFFAOYSA-N 2 2 264.333 0.592 20 0 CCADLP Cc1nc(C)n(C[C@@H]2CCC[N@@H+](C[C@H](C)[NH3+])C2)n1 ZINC000442655575 389853535 /nfs/dbraw/zinc/85/35/35/389853535.db2.gz CSASJAJPCFWNEZ-GXFFZTMASA-N 2 2 251.378 0.954 20 0 CCADLP Cc1nc(C)n(C[C@@H]2CCC[N@H+](C[C@H](C)[NH3+])C2)n1 ZINC000442655575 389853538 /nfs/dbraw/zinc/85/35/38/389853538.db2.gz CSASJAJPCFWNEZ-GXFFZTMASA-N 2 2 251.378 0.954 20 0 CCADLP CC[N@H+](CC(=O)N1CC[NH+](CCOC)CC1)C1CC1 ZINC000442726305 389859814 /nfs/dbraw/zinc/85/98/14/389859814.db2.gz RVYPOANMIVZTGN-UHFFFAOYSA-N 2 2 269.389 0.261 20 0 CCADLP CC[N@@H+](CC(=O)N1CC[NH+](CCOC)CC1)C1CC1 ZINC000442726305 389859815 /nfs/dbraw/zinc/85/98/15/389859815.db2.gz RVYPOANMIVZTGN-UHFFFAOYSA-N 2 2 269.389 0.261 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000444382460 389905243 /nfs/dbraw/zinc/90/52/43/389905243.db2.gz GDMDXOFFTFLWSM-ZIAGYGMSSA-N 2 2 283.416 0.386 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000444382460 389905246 /nfs/dbraw/zinc/90/52/46/389905246.db2.gz GDMDXOFFTFLWSM-ZIAGYGMSSA-N 2 2 283.416 0.386 20 0 CCADLP C/C=C/C[C@@H](CO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000419691973 389906625 /nfs/dbraw/zinc/90/66/25/389906625.db2.gz XMFFGPROQZOKBV-QRGHLMKCSA-N 2 2 252.362 0.903 20 0 CCADLP CC[C@](C)(O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000444612111 389910278 /nfs/dbraw/zinc/91/02/78/389910278.db2.gz SPXSHQMIZQQXEF-ZDUSSCGKSA-N 2 2 252.362 0.703 20 0 CCADLP C[NH2+]C[C@H](C)CNc1cc(N2CC[C@@H]([C@H](C)O)C2)nc[nH+]1 ZINC000420185033 389963327 /nfs/dbraw/zinc/96/33/27/389963327.db2.gz BEMMRSAMZLMELJ-RWMBFGLXSA-N 2 2 293.415 0.951 20 0 CCADLP C[NH2+]C[C@H](C)CNc1cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]cn1 ZINC000420185033 389963328 /nfs/dbraw/zinc/96/33/28/389963328.db2.gz BEMMRSAMZLMELJ-RWMBFGLXSA-N 2 2 293.415 0.951 20 0 CCADLP C[NH2+]CCC[N@@H+]1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000435873891 389964824 /nfs/dbraw/zinc/96/48/24/389964824.db2.gz GPUSQJPFBOHXMI-AWEZNQCLSA-N 2 2 266.389 0.810 20 0 CCADLP C[NH2+]CCC[N@H+]1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000435873891 389964826 /nfs/dbraw/zinc/96/48/26/389964826.db2.gz GPUSQJPFBOHXMI-AWEZNQCLSA-N 2 2 266.389 0.810 20 0 CCADLP CCCn1ncnc1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000447886342 389968176 /nfs/dbraw/zinc/96/81/76/389968176.db2.gz QBSRCLCFYWBAER-UHFFFAOYSA-N 2 2 294.447 0.757 20 0 CCADLP CCCn1ncnc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000447886342 389968178 /nfs/dbraw/zinc/96/81/78/389968178.db2.gz QBSRCLCFYWBAER-UHFFFAOYSA-N 2 2 294.447 0.757 20 0 CCADLP CC(C)c1nc(N2CC[NH2+][C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000420232828 389969479 /nfs/dbraw/zinc/96/94/79/389969479.db2.gz DNGDNGOXGNMQOF-JTQLQIEISA-N 2 2 264.377 0.859 20 0 CCADLP C[C@@H]1CN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)CC[NH2+]1 ZINC000420237837 389970676 /nfs/dbraw/zinc/97/06/76/389970676.db2.gz MFSDXERYAIUGCS-NEPJUHHUSA-N 2 2 277.372 0.236 20 0 CCADLP C[C@@H](C[NH3+])Nc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000420240536 389971287 /nfs/dbraw/zinc/97/12/87/389971287.db2.gz GYAJYYLDBCREDN-WDEREUQCSA-N 2 2 265.361 0.587 20 0 CCADLP C[C@H](O)CNc1cc(N2CCC[C@@H](CC[NH3+])C2)nc[nH+]1 ZINC000420246735 389972765 /nfs/dbraw/zinc/97/27/65/389972765.db2.gz SOTYEQSTNOYMNJ-RYUDHWBXSA-N 2 2 279.388 0.835 20 0 CCADLP C[C@H](O)CNc1cc(N2CCC[C@@H](CC[NH3+])C2)[nH+]cn1 ZINC000420246735 389972768 /nfs/dbraw/zinc/97/27/68/389972768.db2.gz SOTYEQSTNOYMNJ-RYUDHWBXSA-N 2 2 279.388 0.835 20 0 CCADLP CC(C)[C@@H](C(=O)N1CC[NH+](CCO)CC1)[NH+]1CCCCC1 ZINC000445515854 389923319 /nfs/dbraw/zinc/92/33/19/389923319.db2.gz ZCCJATPGCZFNKP-HNNXBMFYSA-N 2 2 297.443 0.633 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCC[N@H+](C)C1CC1 ZINC000434172060 389925671 /nfs/dbraw/zinc/92/56/71/389925671.db2.gz GXGDGHLNTTXXHW-ZDUSSCGKSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCC[N@@H+](C)C1CC1 ZINC000434172060 389925674 /nfs/dbraw/zinc/92/56/74/389925674.db2.gz GXGDGHLNTTXXHW-ZDUSSCGKSA-N 2 2 298.431 0.443 20 0 CCADLP Cc1cc(NC[C@@H]2C[NH2+]C[C@@H]2O)nc(C(C)C)[nH+]1 ZINC000420251211 389973367 /nfs/dbraw/zinc/97/33/67/389973367.db2.gz LATRPGWNKIYRKT-QWRGUYRKSA-N 2 2 250.346 0.323 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H](C)[C@@H](C)O1 ZINC000446077190 389930817 /nfs/dbraw/zinc/93/08/17/389930817.db2.gz JBIJKYVGXXXJPT-FRRDWIJNSA-N 2 2 269.389 0.258 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H](C)[C@@H](C)O1 ZINC000446077190 389930818 /nfs/dbraw/zinc/93/08/18/389930818.db2.gz JBIJKYVGXXXJPT-FRRDWIJNSA-N 2 2 269.389 0.258 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CCCCCO)CC1 ZINC000434667666 389940649 /nfs/dbraw/zinc/94/06/49/389940649.db2.gz YEBCWADMUGGPBQ-AWEZNQCLSA-N 2 2 285.432 0.633 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CCCCCO)CC1 ZINC000434667666 389940650 /nfs/dbraw/zinc/94/06/50/389940650.db2.gz YEBCWADMUGGPBQ-AWEZNQCLSA-N 2 2 285.432 0.633 20 0 CCADLP COC[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)C1CCOCC1 ZINC000446821216 389941739 /nfs/dbraw/zinc/94/17/39/389941739.db2.gz MMFINSJMNLYNAV-HUUCEWRRSA-N 2 2 285.432 0.263 20 0 CCADLP COC[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)C1CCOCC1 ZINC000446821216 389941740 /nfs/dbraw/zinc/94/17/40/389941740.db2.gz MMFINSJMNLYNAV-HUUCEWRRSA-N 2 2 285.432 0.263 20 0 CCADLP C[C@H]([NH3+])[C@H](C)Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000420261797 389974760 /nfs/dbraw/zinc/97/47/60/389974760.db2.gz LIIRNMCPOLIESS-SDDRHHMPSA-N 2 2 279.388 0.833 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CCOCC2)C1 ZINC000457399930 390042410 /nfs/dbraw/zinc/04/24/10/390042410.db2.gz JKXVWAXCLYOONU-CQSZACIVSA-N 2 2 298.431 0.443 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CCOCC2)C1 ZINC000457399930 390042414 /nfs/dbraw/zinc/04/24/14/390042414.db2.gz JKXVWAXCLYOONU-CQSZACIVSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H](Nc1cc(N2CCCC[C@@H]2CO)[nH+]cn1)[C@H](C)[NH3+] ZINC000420274578 389976412 /nfs/dbraw/zinc/97/64/12/389976412.db2.gz YIKPLWCMXQLMTH-QJPTWQEYSA-N 2 2 279.388 0.975 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[NH2+][C@](C)(C[NH3+])C2CC2)C1 ZINC000420296669 389979473 /nfs/dbraw/zinc/97/94/73/389979473.db2.gz XOAAGJKTXQGAQD-BXUZGUMPSA-N 2 2 253.390 0.962 20 0 CCADLP c1ccc([C@H]2C[N@H+](CCN3CC[NH2+]CC3)CCO2)cc1 ZINC000420296304 389979602 /nfs/dbraw/zinc/97/96/02/389979602.db2.gz BJIIXQSKRWVSIY-MRXNPFEDSA-N 2 2 275.396 0.965 20 0 CCADLP c1ccc([C@H]2C[N@@H+](CCN3CC[NH2+]CC3)CCO2)cc1 ZINC000420296304 389979604 /nfs/dbraw/zinc/97/96/04/389979604.db2.gz BJIIXQSKRWVSIY-MRXNPFEDSA-N 2 2 275.396 0.965 20 0 CCADLP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCNC(=O)C2(C)C)cc1 ZINC000420296445 389979626 /nfs/dbraw/zinc/97/96/26/389979626.db2.gz DNWGMARPJALFHY-ZDUSSCGKSA-N 2 2 291.395 0.948 20 0 CCADLP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCNC(=O)C2(C)C)cc1 ZINC000420296445 389979628 /nfs/dbraw/zinc/97/96/28/389979628.db2.gz DNWGMARPJALFHY-ZDUSSCGKSA-N 2 2 291.395 0.948 20 0 CCADLP COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)c1C ZINC000420303343 389980933 /nfs/dbraw/zinc/98/09/33/389980933.db2.gz XESAJZSANBWKSO-NSHDSACASA-N 2 2 293.367 0.881 20 0 CCADLP COC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)c1C ZINC000420303343 389980936 /nfs/dbraw/zinc/98/09/36/389980936.db2.gz XESAJZSANBWKSO-NSHDSACASA-N 2 2 293.367 0.881 20 0 CCADLP CN(C)S(=O)(=O)CCC[N@H+](C)C1(C[NH3+])CCC1 ZINC000420330975 389984850 /nfs/dbraw/zinc/98/48/50/389984850.db2.gz QKJROSOOIDQCGJ-UHFFFAOYSA-N 2 2 263.407 0.081 20 0 CCADLP CN(C)S(=O)(=O)CCC[N@@H+](C)C1(C[NH3+])CCC1 ZINC000420330975 389984852 /nfs/dbraw/zinc/98/48/52/389984852.db2.gz QKJROSOOIDQCGJ-UHFFFAOYSA-N 2 2 263.407 0.081 20 0 CCADLP COc1ccccc1CCNC(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000420342210 389986354 /nfs/dbraw/zinc/98/63/54/389986354.db2.gz VLOIMMIFYRFVKE-UHFFFAOYSA-N 2 2 291.395 0.775 20 0 CCADLP COc1ccccc1CCNC(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000420342210 389986356 /nfs/dbraw/zinc/98/63/56/389986356.db2.gz VLOIMMIFYRFVKE-UHFFFAOYSA-N 2 2 291.395 0.775 20 0 CCADLP C[N@@H+]1CCC[C@@H](CCNC(=O)NCCn2cc[nH+]c2)C1 ZINC000457459418 390044421 /nfs/dbraw/zinc/04/44/21/390044421.db2.gz FCRUJYLVAUXIDM-ZDUSSCGKSA-N 2 2 279.388 0.914 20 0 CCADLP C[N@H+]1CCC[C@@H](CCNC(=O)NCCn2cc[nH+]c2)C1 ZINC000457459418 390044422 /nfs/dbraw/zinc/04/44/22/390044422.db2.gz FCRUJYLVAUXIDM-ZDUSSCGKSA-N 2 2 279.388 0.914 20 0 CCADLP CC(C)[C@@H](NC(=O)C[N@H+](C)C[C@H](O)C[NH3+])c1ccccc1 ZINC000420351315 389988785 /nfs/dbraw/zinc/98/87/85/389988785.db2.gz JUBIHUVACHLQEK-GDBMZVCRSA-N 2 2 293.411 0.751 20 0 CCADLP CC(C)[C@@H](NC(=O)C[N@@H+](C)C[C@H](O)C[NH3+])c1ccccc1 ZINC000420351315 389988788 /nfs/dbraw/zinc/98/87/88/389988788.db2.gz JUBIHUVACHLQEK-GDBMZVCRSA-N 2 2 293.411 0.751 20 0 CCADLP C[N@H+](C[C@H](O)C[NH3+])[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000420351051 389988807 /nfs/dbraw/zinc/98/88/07/389988807.db2.gz IXHBUAUCCVSWAQ-KGLIPLIRSA-N 2 2 295.358 0.573 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH3+])[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000420351051 389988809 /nfs/dbraw/zinc/98/88/09/389988809.db2.gz IXHBUAUCCVSWAQ-KGLIPLIRSA-N 2 2 295.358 0.573 20 0 CCADLP CCc1ccc([C@@H](C)NC(=O)C[N@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000420352804 389989775 /nfs/dbraw/zinc/98/97/75/389989775.db2.gz MUKJDKAGPNJKND-IUODEOHRSA-N 2 2 293.411 0.678 20 0 CCADLP CCc1ccc([C@@H](C)NC(=O)C[N@@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000420352804 389989777 /nfs/dbraw/zinc/98/97/77/389989777.db2.gz MUKJDKAGPNJKND-IUODEOHRSA-N 2 2 293.411 0.678 20 0 CCADLP CCCNC(=O)NC(=O)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420355100 389990270 /nfs/dbraw/zinc/99/02/70/389990270.db2.gz BQSWLIWUMSMPMK-HOSYDEDBSA-N 2 2 270.377 0.198 20 0 CCADLP Cc1cccc(NC(=O)[C@H](C)[N@H+](C)C[C@H](O)C[NH3+])c1 ZINC000420358173 389990670 /nfs/dbraw/zinc/99/06/70/389990670.db2.gz SZBFUWJJIGRSNI-WCQYABFASA-N 2 2 265.357 0.573 20 0 CCADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+](C)C[C@H](O)C[NH3+])c1 ZINC000420358173 389990671 /nfs/dbraw/zinc/99/06/71/389990671.db2.gz SZBFUWJJIGRSNI-WCQYABFASA-N 2 2 265.357 0.573 20 0 CCADLP CC(C)N1CC[C@@H]([NH2+][C@H]2[C@H](C)CC[NH2+][C@@H]2C)C1=O ZINC000420357919 389990676 /nfs/dbraw/zinc/99/06/76/389990676.db2.gz DXTCNQWLUOZKGJ-LPWJVIDDSA-N 2 2 253.390 0.972 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420356485 389990711 /nfs/dbraw/zinc/99/07/11/389990711.db2.gz CQBFAAYLWNUIGY-FIQHERPVSA-N 2 2 284.404 0.585 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)CC1 ZINC000420355989 389991027 /nfs/dbraw/zinc/99/10/27/389991027.db2.gz CGEPDFVJZJUVQT-APIJFGDWSA-N 3 2 296.459 0.515 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC000420358675 389991595 /nfs/dbraw/zinc/99/15/95/389991595.db2.gz FSVBYMPYMDOJOI-MRTMQBJTSA-N 2 2 267.295 0.641 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1CC(C)(O)C1 ZINC000448973978 389992397 /nfs/dbraw/zinc/99/23/97/389992397.db2.gz HQRWBAKGLFAAJV-UHFFFAOYSA-N 2 2 297.443 0.632 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1CC(C)(O)C1 ZINC000448973978 389992398 /nfs/dbraw/zinc/99/23/98/389992398.db2.gz HQRWBAKGLFAAJV-UHFFFAOYSA-N 2 2 297.443 0.632 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420363562 389992460 /nfs/dbraw/zinc/99/24/60/389992460.db2.gz OABWKRQUGBTLAB-BDAKNGLRSA-N 2 2 258.366 0.184 20 0 CCADLP CCOC(=O)[C@H](CC)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420369731 389993564 /nfs/dbraw/zinc/99/35/64/389993564.db2.gz BZWZNSGPFUCRPK-OLZOCXBDSA-N 2 2 295.387 0.715 20 0 CCADLP CCOC(=O)[C@H](CC)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420369731 389993567 /nfs/dbraw/zinc/99/35/67/389993567.db2.gz BZWZNSGPFUCRPK-OLZOCXBDSA-N 2 2 295.387 0.715 20 0 CCADLP C[N@H+](CC[NH3+])CCC(=O)NC(=O)NCc1ccccc1 ZINC000420375607 389994519 /nfs/dbraw/zinc/99/45/19/389994519.db2.gz JASBLPKUUKMQHD-UHFFFAOYSA-N 2 2 278.356 0.293 20 0 CCADLP C[N@@H+](CC[NH3+])CCC(=O)NC(=O)NCc1ccccc1 ZINC000420375607 389994520 /nfs/dbraw/zinc/99/45/20/389994520.db2.gz JASBLPKUUKMQHD-UHFFFAOYSA-N 2 2 278.356 0.293 20 0 CCADLP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000420382011 389994785 /nfs/dbraw/zinc/99/47/85/389994785.db2.gz DEOCZZSQCJNSSS-GOEBONIOSA-N 3 2 293.411 0.787 20 0 CCADLP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000420382011 389994786 /nfs/dbraw/zinc/99/47/86/389994786.db2.gz DEOCZZSQCJNSSS-GOEBONIOSA-N 3 2 293.411 0.787 20 0 CCADLP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000420383758 389995328 /nfs/dbraw/zinc/99/53/28/389995328.db2.gz ZZAQWNXCCKYINE-WDEREUQCSA-N 2 2 285.413 0.935 20 0 CCADLP C[C@H](C(=O)NCc1ccccc1)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420391541 389996184 /nfs/dbraw/zinc/99/61/84/389996184.db2.gz OMFHPHZBDLQMSL-UKRRQHHQSA-N 2 2 291.395 0.741 20 0 CCADLP C[C@H](C(=O)NCc1ccccc1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420391541 389996185 /nfs/dbraw/zinc/99/61/85/389996185.db2.gz OMFHPHZBDLQMSL-UKRRQHHQSA-N 2 2 291.395 0.741 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCOCC23CCCCC3)CC1 ZINC000451817204 390004407 /nfs/dbraw/zinc/00/44/07/390004407.db2.gz RJPBQMUWYSMPQC-UHFFFAOYSA-N 2 2 295.427 0.796 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCOCC23CCCCC3)CC1 ZINC000451817204 390004408 /nfs/dbraw/zinc/00/44/08/390004408.db2.gz RJPBQMUWYSMPQC-UHFFFAOYSA-N 2 2 295.427 0.796 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000453345693 390009586 /nfs/dbraw/zinc/00/95/86/390009586.db2.gz OKSSETGEWDPZBK-ARLBYUKCSA-N 2 2 279.428 0.922 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000453345693 390009588 /nfs/dbraw/zinc/00/95/88/390009588.db2.gz OKSSETGEWDPZBK-ARLBYUKCSA-N 2 2 279.428 0.922 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000453345699 390009729 /nfs/dbraw/zinc/00/97/29/390009729.db2.gz OKSSETGEWDPZBK-OJLVUWQFSA-N 2 2 279.428 0.922 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000453345699 390009730 /nfs/dbraw/zinc/00/97/30/390009730.db2.gz OKSSETGEWDPZBK-OJLVUWQFSA-N 2 2 279.428 0.922 20 0 CCADLP Cc1cc(C)c(CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)c[nH+]1 ZINC000456850228 390020169 /nfs/dbraw/zinc/02/01/69/390020169.db2.gz WBMYWRTVBCHXOE-OAHLLOKOSA-N 2 2 288.395 0.705 20 0 CCADLP Cc1cc(C)c(CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)c[nH+]1 ZINC000456850228 390020171 /nfs/dbraw/zinc/02/01/71/390020171.db2.gz WBMYWRTVBCHXOE-OAHLLOKOSA-N 2 2 288.395 0.705 20 0 CCADLP CC[C@@H](C(=O)N1CC[N@H+](CCO)C[C@@H]1C)[NH+](CC)CC ZINC000457111292 390031007 /nfs/dbraw/zinc/03/10/07/390031007.db2.gz FDVMEVRYNFDLOU-KBPBESRZSA-N 2 2 285.432 0.632 20 0 CCADLP CC[C@@H](C(=O)N1CC[N@@H+](CCO)C[C@@H]1C)[NH+](CC)CC ZINC000457111292 390031008 /nfs/dbraw/zinc/03/10/08/390031008.db2.gz FDVMEVRYNFDLOU-KBPBESRZSA-N 2 2 285.432 0.632 20 0 CCADLP C[C@H](C(=O)NCCCC[N@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000457205527 390034313 /nfs/dbraw/zinc/03/43/13/390034313.db2.gz RPSBKYSDOCPPFN-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@H](C(=O)NCCCC[N@@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000457205527 390034315 /nfs/dbraw/zinc/03/43/15/390034315.db2.gz RPSBKYSDOCPPFN-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP CS[C@H]1CN(CCc2c[nH+]cn2C)C[C@@H]1[NH+](C)C ZINC000459391244 390073817 /nfs/dbraw/zinc/07/38/17/390073817.db2.gz OIYYUUAKSYSLAN-STQMWFEESA-N 2 2 268.430 0.940 20 0 CCADLP CS[C@H]1C[N@H+](CCc2c[nH+]cn2C)C[C@@H]1N(C)C ZINC000459391244 390073818 /nfs/dbraw/zinc/07/38/18/390073818.db2.gz OIYYUUAKSYSLAN-STQMWFEESA-N 2 2 268.430 0.940 20 0 CCADLP CS[C@H]1C[N@@H+](CCc2c[nH+]cn2C)C[C@@H]1N(C)C ZINC000459391244 390073819 /nfs/dbraw/zinc/07/38/19/390073819.db2.gz OIYYUUAKSYSLAN-STQMWFEESA-N 2 2 268.430 0.940 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000487457998 390087056 /nfs/dbraw/zinc/08/70/56/390087056.db2.gz ATFMESGJNKQULV-IJLUTSLNSA-N 2 2 262.357 0.512 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000487457998 390087057 /nfs/dbraw/zinc/08/70/57/390087057.db2.gz ATFMESGJNKQULV-IJLUTSLNSA-N 2 2 262.357 0.512 20 0 CCADLP C[NH+](C)C/C=C\C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000491632067 390115341 /nfs/dbraw/zinc/11/53/41/390115341.db2.gz GAFXFNQUVSYYSN-ALCCZGGFSA-N 2 2 274.368 0.848 20 0 CCADLP O=C(/C=C/c1[nH]cc[nH+]1)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000493215602 390120858 /nfs/dbraw/zinc/12/08/58/390120858.db2.gz ALOZJHWMXHIOQN-ZYOFXKKJSA-N 2 2 278.356 0.386 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)C[N@H+](C)[C@H]2CCSC2)C1 ZINC000457726976 390048977 /nfs/dbraw/zinc/04/89/77/390048977.db2.gz SAHKXLFEKKTFHN-LBPRGKRZSA-N 2 2 271.430 0.633 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)C[N@@H+](C)[C@H]2CCSC2)C1 ZINC000457726976 390048978 /nfs/dbraw/zinc/04/89/78/390048978.db2.gz SAHKXLFEKKTFHN-LBPRGKRZSA-N 2 2 271.430 0.633 20 0 CCADLP CN(CCC[NH+](C)C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000538315636 390191373 /nfs/dbraw/zinc/19/13/73/390191373.db2.gz LDGBUTCQWDXIAN-GFCCVEGCSA-N 2 2 264.373 0.856 20 0 CCADLP CC(C)(CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1)[NH+]1CCOCC1 ZINC000493475304 390126518 /nfs/dbraw/zinc/12/65/18/390126518.db2.gz ZTUVCUQTYXGRLO-AWEZNQCLSA-N 2 2 295.427 0.840 20 0 CCADLP CC(C)(CNC(=O)[C@@H]1CCC[N@H+]1C1CC1)[NH+]1CCOCC1 ZINC000493475304 390126519 /nfs/dbraw/zinc/12/65/19/390126519.db2.gz ZTUVCUQTYXGRLO-AWEZNQCLSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)[C@@H](C[NH3+])C1 ZINC000578980907 390130190 /nfs/dbraw/zinc/13/01/90/390130190.db2.gz YHQXQKUWNQZJLG-KGLIPLIRSA-N 3 2 297.447 0.003 20 0 CCADLP C[NH+]1CCC[C@H](CCNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000578980907 390130196 /nfs/dbraw/zinc/13/01/96/390130196.db2.gz YHQXQKUWNQZJLG-KGLIPLIRSA-N 3 2 297.447 0.003 20 0 CCADLP C[N@@H+]1CCCN(C(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)CC1 ZINC000493937933 390135744 /nfs/dbraw/zinc/13/57/44/390135744.db2.gz URCGJRSGKFWCES-CQSZACIVSA-N 2 2 296.415 0.197 20 0 CCADLP C[N@H+]1CCCN(C(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)CC1 ZINC000493937933 390135746 /nfs/dbraw/zinc/13/57/46/390135746.db2.gz URCGJRSGKFWCES-CQSZACIVSA-N 2 2 296.415 0.197 20 0 CCADLP C[NH+]1CCCN(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000493937933 390135748 /nfs/dbraw/zinc/13/57/48/390135748.db2.gz URCGJRSGKFWCES-CQSZACIVSA-N 2 2 296.415 0.197 20 0 CCADLP C[NH+]1CCCN(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000493937933 390135750 /nfs/dbraw/zinc/13/57/50/390135750.db2.gz URCGJRSGKFWCES-CQSZACIVSA-N 2 2 296.415 0.197 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000493967285 390137668 /nfs/dbraw/zinc/13/76/68/390137668.db2.gz FXXVEEFTAPHKJI-NWDGAFQWSA-N 2 2 279.388 0.048 20 0 CCADLP C[C@@H]1CC[N@@H+]([C@H]2CC(=O)NC2=O)C[C@@H]1n1cc[nH+]c1 ZINC000579123389 390144414 /nfs/dbraw/zinc/14/44/14/390144414.db2.gz MTNDVCJAZOJJDD-VWYCJHECSA-N 2 2 262.313 0.181 20 0 CCADLP C[C@@H]1CC[N@H+]([C@H]2CC(=O)NC2=O)C[C@@H]1n1cc[nH+]c1 ZINC000579123389 390144416 /nfs/dbraw/zinc/14/44/16/390144416.db2.gz MTNDVCJAZOJJDD-VWYCJHECSA-N 2 2 262.313 0.181 20 0 CCADLP CNC(=O)CCC[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000579124194 390144609 /nfs/dbraw/zinc/14/46/09/390144609.db2.gz GWIRTGYVJYOARU-UHFFFAOYSA-N 2 2 279.388 0.064 20 0 CCADLP COc1cc(C)[nH+]c(CNC[C@@H]2C[NH2+]CCCO2)c1 ZINC000579211965 390151153 /nfs/dbraw/zinc/15/11/53/390151153.db2.gz GTOVAAXLHSEZLP-AWEZNQCLSA-N 2 2 265.357 0.867 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536069280 390156702 /nfs/dbraw/zinc/15/67/02/390156702.db2.gz YYMXPYDUWXPFBV-CHWSQXEVSA-N 2 2 294.399 0.751 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536069280 390156706 /nfs/dbraw/zinc/15/67/06/390156706.db2.gz YYMXPYDUWXPFBV-CHWSQXEVSA-N 2 2 294.399 0.751 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCc2ccccc2N)[C@@H](C[NH3+])C1 ZINC000579351413 390164261 /nfs/dbraw/zinc/16/42/61/390164261.db2.gz VIFSVFIWAJYSRJ-ZDUSSCGKSA-N 2 2 276.384 0.303 20 0 CCADLP C[N@H+]1CCN(C(=O)CCc2ccccc2N)[C@@H](C[NH3+])C1 ZINC000579351413 390164264 /nfs/dbraw/zinc/16/42/64/390164264.db2.gz VIFSVFIWAJYSRJ-ZDUSSCGKSA-N 2 2 276.384 0.303 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 ZINC000644230236 390171242 /nfs/dbraw/zinc/17/12/42/390171242.db2.gz GVZBEOXRAZBDFN-UPJWGTAASA-N 2 2 292.383 0.446 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1 ZINC000644230236 390171246 /nfs/dbraw/zinc/17/12/46/390171246.db2.gz GVZBEOXRAZBDFN-UPJWGTAASA-N 2 2 292.383 0.446 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC2CCCC2)[C@@H](C[NH3+])C1 ZINC000579451511 390172550 /nfs/dbraw/zinc/17/25/50/390172550.db2.gz AKXLUFMJDVREHW-LBPRGKRZSA-N 2 2 254.378 0.461 20 0 CCADLP OCCC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647798305 390174905 /nfs/dbraw/zinc/17/49/05/390174905.db2.gz PFBUNMQQJQBVIT-FPCVCCKLSA-N 3 2 281.444 0.811 20 0 CCADLP OCCC[N@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647798305 390174908 /nfs/dbraw/zinc/17/49/08/390174908.db2.gz PFBUNMQQJQBVIT-FPCVCCKLSA-N 3 2 281.444 0.811 20 0 CCADLP O=C(C[N@H+](C1CC1)C1CC[NH2+]CC1)NC[C@@H]1CCCO1 ZINC000647815204 390178913 /nfs/dbraw/zinc/17/89/13/390178913.db2.gz UHSNGPFZVPGJNO-AWEZNQCLSA-N 2 2 281.400 0.498 20 0 CCADLP O=C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)NC[C@@H]1CCCO1 ZINC000647815204 390178917 /nfs/dbraw/zinc/17/89/17/390178917.db2.gz UHSNGPFZVPGJNO-AWEZNQCLSA-N 2 2 281.400 0.498 20 0 CCADLP C[N@H+]1CCN(C(=O)CCOc2cccc(F)c2)[C@@H](C[NH3+])C1 ZINC000647873399 390201625 /nfs/dbraw/zinc/20/16/25/390201625.db2.gz FFAUWDWWKKZTLX-ZDUSSCGKSA-N 2 2 295.358 0.696 20 0 CCADLP CCC[N@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC000647872201 390201882 /nfs/dbraw/zinc/20/18/82/390201882.db2.gz GNRCTBJNXZVJTL-NEPJUHHUSA-N 2 2 260.403 0.495 20 0 CCADLP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC000647872201 390201884 /nfs/dbraw/zinc/20/18/84/390201884.db2.gz GNRCTBJNXZVJTL-NEPJUHHUSA-N 2 2 260.403 0.495 20 0 CCADLP CC1([NH3+])CC[NH+](CC2(CS(C)(=O)=O)CC2)CC1 ZINC000647924226 390219252 /nfs/dbraw/zinc/21/92/52/390219252.db2.gz PUFIOFLBUQSIHW-UHFFFAOYSA-N 2 2 260.403 0.624 20 0 CCADLP CC1([NH3+])CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000647924973 390219437 /nfs/dbraw/zinc/21/94/37/390219437.db2.gz ZOGQYTFHGPAPSP-GJZGRUSLSA-N 3 2 277.412 0.731 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000647931259 390220312 /nfs/dbraw/zinc/22/03/12/390220312.db2.gz UUROFMHKXRVJJA-ZFWWWQNUSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000647931259 390220315 /nfs/dbraw/zinc/22/03/15/390220315.db2.gz UUROFMHKXRVJJA-ZFWWWQNUSA-N 2 2 295.427 0.840 20 0 CCADLP Cc1cc(NC(=O)CC[N@@H+]2CCc3[nH+]c[nH]c3C2)no1 ZINC000647933359 390220952 /nfs/dbraw/zinc/22/09/52/390220952.db2.gz LRQSQHFGOWMMPD-UHFFFAOYSA-N 2 2 275.312 0.515 20 0 CCADLP Cc1cc(NC(=O)CC[N@H+]2CCc3[nH+]c[nH]c3C2)no1 ZINC000647933359 390220954 /nfs/dbraw/zinc/22/09/54/390220954.db2.gz LRQSQHFGOWMMPD-UHFFFAOYSA-N 2 2 275.312 0.515 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000580150942 390223712 /nfs/dbraw/zinc/22/37/12/390223712.db2.gz YEIBQUJBVXBGSQ-AWEZNQCLSA-N 3 2 296.415 0.528 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000580150942 390223713 /nfs/dbraw/zinc/22/37/13/390223713.db2.gz YEIBQUJBVXBGSQ-AWEZNQCLSA-N 3 2 296.415 0.528 20 0 CCADLP CC(C)C[N@@H+](CC(N)=O)C[C@@H](O)C[NH+](C)C(C)C ZINC000647958136 390227126 /nfs/dbraw/zinc/22/71/26/390227126.db2.gz ARAHSEILOPJMIV-LBPRGKRZSA-N 2 2 259.394 0.131 20 0 CCADLP CC(C)C[N@H+](CC(N)=O)C[C@@H](O)C[NH+](C)C(C)C ZINC000647958136 390227130 /nfs/dbraw/zinc/22/71/30/390227130.db2.gz ARAHSEILOPJMIV-LBPRGKRZSA-N 2 2 259.394 0.131 20 0 CCADLP CC(C)C[NH+](CC(N)=O)C[C@@H](O)C[N@H+](C)C(C)C ZINC000647958136 390227132 /nfs/dbraw/zinc/22/71/32/390227132.db2.gz ARAHSEILOPJMIV-LBPRGKRZSA-N 2 2 259.394 0.131 20 0 CCADLP CC(C)C[NH+](CC(N)=O)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000647958136 390227134 /nfs/dbraw/zinc/22/71/34/390227134.db2.gz ARAHSEILOPJMIV-LBPRGKRZSA-N 2 2 259.394 0.131 20 0 CCADLP C[N@H+](CCC[NH3+])CC(=O)NCCCOc1ccccc1F ZINC000647848359 390192071 /nfs/dbraw/zinc/19/20/71/390192071.db2.gz NJNJUNPCXKZOBV-UHFFFAOYSA-N 2 2 297.374 0.991 20 0 CCADLP C[N@@H+](CCC[NH3+])CC(=O)NCCCOc1ccccc1F ZINC000647848359 390192076 /nfs/dbraw/zinc/19/20/76/390192076.db2.gz NJNJUNPCXKZOBV-UHFFFAOYSA-N 2 2 297.374 0.991 20 0 CCADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+](C)CCC[NH3+] ZINC000647849535 390192655 /nfs/dbraw/zinc/19/26/55/390192655.db2.gz XIEOFGGBQXHNDO-SNVBAGLBSA-N 2 2 278.356 0.393 20 0 CCADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+](C)CCC[NH3+] ZINC000647849535 390192658 /nfs/dbraw/zinc/19/26/58/390192658.db2.gz XIEOFGGBQXHNDO-SNVBAGLBSA-N 2 2 278.356 0.393 20 0 CCADLP CC[NH+]1CCN(C(=O)CNc2nc(C)[nH+]cc2C)CC1 ZINC000579613802 390192835 /nfs/dbraw/zinc/19/28/35/390192835.db2.gz DISQEJSTBYYAID-UHFFFAOYSA-N 2 2 277.372 0.091 20 0 CCADLP O=C1OCC[C@@H]2C[N@H+](CCCn3cc[nH+]c3)CCN12 ZINC000494713893 390196680 /nfs/dbraw/zinc/19/66/80/390196680.db2.gz XFAZXSNUBCSHAD-GFCCVEGCSA-N 2 2 264.329 0.800 20 0 CCADLP O=C1OCC[C@@H]2C[N@@H+](CCCn3cc[nH+]c3)CCN12 ZINC000494713893 390196684 /nfs/dbraw/zinc/19/66/84/390196684.db2.gz XFAZXSNUBCSHAD-GFCCVEGCSA-N 2 2 264.329 0.800 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCOC[C@H]2CCCO2)n1C ZINC000579686458 390197134 /nfs/dbraw/zinc/19/71/34/390197134.db2.gz IWSVHYQHVNJHEQ-CYBMUJFWSA-N 2 2 282.388 0.771 20 0 CCADLP Cc1csc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)n1 ZINC000644516338 390242155 /nfs/dbraw/zinc/24/21/55/390242155.db2.gz MTMIJMCXJVSXIS-GFCCVEGCSA-N 2 2 284.429 0.149 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)[C@H]2CCCO2)C[N@@H+]1C1CC1 ZINC000527756162 285364787 /nfs/dbraw/zinc/36/47/87/285364787.db2.gz DLZXYXIUZBGHMR-UVLXDEKHSA-N 2 2 254.374 0.741 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)[C@H]2CCCO2)C[N@H+]1C1CC1 ZINC000527756162 285364791 /nfs/dbraw/zinc/36/47/91/285364791.db2.gz DLZXYXIUZBGHMR-UVLXDEKHSA-N 2 2 254.374 0.741 20 0 CCADLP C[N@@H+]1CCC[C@H]([NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC000644548143 390250297 /nfs/dbraw/zinc/25/02/97/390250297.db2.gz QHPFBERCROQTAG-STQMWFEESA-N 2 2 272.389 0.227 20 0 CCADLP C[N@H+]1CCC[C@H]([NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC000644548143 390250300 /nfs/dbraw/zinc/25/03/00/390250300.db2.gz QHPFBERCROQTAG-STQMWFEESA-N 2 2 272.389 0.227 20 0 CCADLP C[N@@H+]1CCC[C@H]([NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC000644548142 390250635 /nfs/dbraw/zinc/25/06/35/390250635.db2.gz QHPFBERCROQTAG-QWHCGFSZSA-N 2 2 272.389 0.227 20 0 CCADLP C[N@H+]1CCC[C@H]([NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC000644548142 390250638 /nfs/dbraw/zinc/25/06/38/390250638.db2.gz QHPFBERCROQTAG-QWHCGFSZSA-N 2 2 272.389 0.227 20 0 CCADLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000644569496 390254725 /nfs/dbraw/zinc/25/47/25/390254725.db2.gz SWRBNQIKPVDNCN-LSDHHAIUSA-N 2 2 285.432 0.144 20 0 CCADLP CCN(C)C(=O)C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644625557 390269085 /nfs/dbraw/zinc/26/90/85/390269085.db2.gz RCVHOTJHZNSAOQ-HNNXBMFYSA-N 2 2 293.411 0.547 20 0 CCADLP CCN(C)C(=O)C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644625557 390269086 /nfs/dbraw/zinc/26/90/86/390269086.db2.gz RCVHOTJHZNSAOQ-HNNXBMFYSA-N 2 2 293.411 0.547 20 0 CCADLP COC[C@@H]1CC[N@@H+]1CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000495979691 390277547 /nfs/dbraw/zinc/27/75/47/390277547.db2.gz HHILZQVRHMIPRX-DZGCQCFKSA-N 2 2 295.383 0.581 20 0 CCADLP COC[C@@H]1CC[N@H+]1CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000495979691 390277549 /nfs/dbraw/zinc/27/75/49/390277549.db2.gz HHILZQVRHMIPRX-DZGCQCFKSA-N 2 2 295.383 0.581 20 0 CCADLP C[N@@H+]1CCN(C(=O)Nc2cccc3c2CCO3)[C@@H](C[NH3+])C1 ZINC000583740940 390306420 /nfs/dbraw/zinc/30/64/20/390306420.db2.gz HVPBPINKBRTQRX-NSHDSACASA-N 2 2 290.367 0.728 20 0 CCADLP C[N@H+]1CCN(C(=O)Nc2cccc3c2CCO3)[C@@H](C[NH3+])C1 ZINC000583740940 390306426 /nfs/dbraw/zinc/30/64/26/390306426.db2.gz HVPBPINKBRTQRX-NSHDSACASA-N 2 2 290.367 0.728 20 0 CCADLP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[NH+](Cc2cccnc2)CC1 ZINC000648149637 390312837 /nfs/dbraw/zinc/31/28/37/390312837.db2.gz YLPOLELWKLPONW-FICVDOATSA-N 2 2 286.379 0.191 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCCc2ccccc2)[C@H](C[NH3+])C1 ZINC000584399597 390339616 /nfs/dbraw/zinc/33/96/16/390339616.db2.gz YEXGIJOBLATUJI-OAHLLOKOSA-N 2 2 290.411 0.904 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCCc2ccccc2)[C@H](C[NH3+])C1 ZINC000584399597 390339621 /nfs/dbraw/zinc/33/96/21/390339621.db2.gz YEXGIJOBLATUJI-OAHLLOKOSA-N 2 2 290.411 0.904 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)n1C ZINC000644903770 390343388 /nfs/dbraw/zinc/34/33/88/390343388.db2.gz RUPRMEFXENIFKU-GDNZZTSVSA-N 2 2 250.346 0.156 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)n1C ZINC000644903770 390343390 /nfs/dbraw/zinc/34/33/90/390343390.db2.gz RUPRMEFXENIFKU-GDNZZTSVSA-N 2 2 250.346 0.156 20 0 CCADLP C[C@H](O)CC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000644927991 390347617 /nfs/dbraw/zinc/34/76/17/390347617.db2.gz XXVYYNHBXVJPPN-AAEUAGOBSA-N 2 2 269.389 0.171 20 0 CCADLP C[C@H](O)CC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000644927991 390347622 /nfs/dbraw/zinc/34/76/22/390347622.db2.gz XXVYYNHBXVJPPN-AAEUAGOBSA-N 2 2 269.389 0.171 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCC12CCOCC2 ZINC000554561054 390433583 /nfs/dbraw/zinc/43/35/83/390433583.db2.gz OERBVYNVSLXLMS-KBPBESRZSA-N 2 2 295.427 0.875 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCC12CCOCC2 ZINC000554561054 390433584 /nfs/dbraw/zinc/43/35/84/390433584.db2.gz OERBVYNVSLXLMS-KBPBESRZSA-N 2 2 295.427 0.875 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)Nc1nc(N)[nH+]c2c1CCCC2 ZINC000645123165 390375071 /nfs/dbraw/zinc/37/50/71/390375071.db2.gz RPRULDAEYUMPRT-NSHDSACASA-N 2 2 291.399 0.322 20 0 CCADLP CCOC(=O)N[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000496919795 390385628 /nfs/dbraw/zinc/38/56/28/390385628.db2.gz KEHGDAUPLAPKAZ-GXTWGEPZSA-N 2 2 299.415 0.652 20 0 CCADLP CCOC(=O)N[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000496919795 390385634 /nfs/dbraw/zinc/38/56/34/390385634.db2.gz KEHGDAUPLAPKAZ-GXTWGEPZSA-N 2 2 299.415 0.652 20 0 CCADLP CCOC(=O)N[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000496919795 390385642 /nfs/dbraw/zinc/38/56/42/390385642.db2.gz KEHGDAUPLAPKAZ-GXTWGEPZSA-N 2 2 299.415 0.652 20 0 CCADLP CCOC(=O)N[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000496919795 390385647 /nfs/dbraw/zinc/38/56/47/390385647.db2.gz KEHGDAUPLAPKAZ-GXTWGEPZSA-N 2 2 299.415 0.652 20 0 CCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[NH+](CCO)CC1 ZINC000648729140 390396239 /nfs/dbraw/zinc/39/62/39/390396239.db2.gz IFVVDSRKJPEYIU-CYBMUJFWSA-N 2 2 294.399 0.533 20 0 CCADLP CS(=O)(=O)CC1(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000517743133 390491078 /nfs/dbraw/zinc/49/10/78/390491078.db2.gz QATWFDQWOGLJLI-RYUDHWBXSA-N 2 2 272.414 0.353 20 0 CCADLP CS(=O)(=O)CC1(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000517743133 390491080 /nfs/dbraw/zinc/49/10/80/390491080.db2.gz QATWFDQWOGLJLI-RYUDHWBXSA-N 2 2 272.414 0.353 20 0 CCADLP C[NH+]1CCC(CCNC(=O)[C@H]([NH3+])c2cscn2)CC1 ZINC000645829404 390505078 /nfs/dbraw/zinc/50/50/78/390505078.db2.gz AESHKQODYIBSOW-GFCCVEGCSA-N 2 2 282.413 0.991 20 0 CCADLP O=C(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)N1CCCC1 ZINC000565404921 390510165 /nfs/dbraw/zinc/51/01/65/390510165.db2.gz IOTLEOWGNHRRPX-UHFFFAOYSA-N 2 2 263.345 0.154 20 0 CCADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC[NH2+]C2CC2)cc1 ZINC000643506343 390456774 /nfs/dbraw/zinc/45/67/74/390456774.db2.gz SKDMBLLZDSVNCD-NSHDSACASA-N 2 2 297.424 0.997 20 0 CCADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643536442 390461474 /nfs/dbraw/zinc/46/14/74/390461474.db2.gz QVQJLGPEHFGRIM-WOPDTQHZSA-N 2 2 259.369 0.923 20 0 CCADLP [NH3+]CC1(CC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000643595245 390464944 /nfs/dbraw/zinc/46/49/44/390464944.db2.gz LVPYCSAFIDXYBR-LBPRGKRZSA-N 2 2 274.368 0.906 20 0 CCADLP CNC(=O)CCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000555880683 390468469 /nfs/dbraw/zinc/46/84/69/390468469.db2.gz ULTWLMWVBFWTHF-ZDUSSCGKSA-N 2 2 269.389 0.167 20 0 CCADLP CNC(=O)CCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000555880683 390468473 /nfs/dbraw/zinc/46/84/73/390468473.db2.gz ULTWLMWVBFWTHF-ZDUSSCGKSA-N 2 2 269.389 0.167 20 0 CCADLP CSC[C@@H](O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000556065312 390473083 /nfs/dbraw/zinc/47/30/83/390473083.db2.gz CGAGIPWJFMRVEI-QWRGUYRKSA-N 2 2 255.387 0.933 20 0 CCADLP CSC[C@@H](O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000556065312 390473088 /nfs/dbraw/zinc/47/30/88/390473088.db2.gz CGAGIPWJFMRVEI-QWRGUYRKSA-N 2 2 255.387 0.933 20 0 CCADLP [NH3+]CCOCC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000645715330 390478282 /nfs/dbraw/zinc/47/82/82/390478282.db2.gz DZJDUBLHWNCBCP-UHFFFAOYSA-N 2 2 274.324 0.464 20 0 CCADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CC[C@@H]2CCNC2=O)CC1 ZINC000516085522 390478812 /nfs/dbraw/zinc/47/88/12/390478812.db2.gz KZZBMUQOESZIDR-KBPBESRZSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H]1COCC[N@H+]1C1CC[NH+](CC[C@@H]2CCNC2=O)CC1 ZINC000516085522 390478817 /nfs/dbraw/zinc/47/88/17/390478817.db2.gz KZZBMUQOESZIDR-KBPBESRZSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCC1CC[NH2+]CC1 ZINC000516634195 390483647 /nfs/dbraw/zinc/48/36/47/390483647.db2.gz FUSJCSWGXLALSZ-LBPRGKRZSA-N 2 2 284.404 0.006 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCC1CC[NH2+]CC1 ZINC000516634195 390483649 /nfs/dbraw/zinc/48/36/49/390483649.db2.gz FUSJCSWGXLALSZ-LBPRGKRZSA-N 2 2 284.404 0.006 20 0 CCADLP COc1ccnc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000566103597 390578629 /nfs/dbraw/zinc/57/86/29/390578629.db2.gz BLNXBUVMEJMQNE-MNOVXSKESA-N 2 2 250.346 0.963 20 0 CCADLP C[NH+](C)C1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000649209319 390522939 /nfs/dbraw/zinc/52/29/39/390522939.db2.gz OFTKTJDESOQWOQ-GFCCVEGCSA-N 2 2 276.384 0.998 20 0 CCADLP CN1CC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CC1=O ZINC000565544215 390524267 /nfs/dbraw/zinc/52/42/67/390524267.db2.gz SDQJEBFCMUXCRE-UHFFFAOYSA-N 2 2 259.353 0.606 20 0 CCADLP CN1CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CC1=O ZINC000565544215 390524274 /nfs/dbraw/zinc/52/42/74/390524274.db2.gz SDQJEBFCMUXCRE-UHFFFAOYSA-N 2 2 259.353 0.606 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](CCCN2CCOCC2)CC1 ZINC000565551288 390524963 /nfs/dbraw/zinc/52/49/63/390524963.db2.gz XZSIRNPZGFGZEJ-UHFFFAOYSA-N 2 2 299.459 0.534 20 0 CCADLP C[C@H](c1nnnn1C1CC1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000519653927 390524916 /nfs/dbraw/zinc/52/49/16/390524916.db2.gz MWOPIHILSYSYRQ-BBBLOLIVSA-N 2 2 250.350 0.738 20 0 CCADLP C[C@H](c1nnnn1C1CC1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000519653927 390524922 /nfs/dbraw/zinc/52/49/22/390524922.db2.gz MWOPIHILSYSYRQ-BBBLOLIVSA-N 2 2 250.350 0.738 20 0 CCADLP O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649220429 390527607 /nfs/dbraw/zinc/52/76/07/390527607.db2.gz YNWMQSXVOCCMOR-NEPJUHHUSA-N 2 2 285.351 0.773 20 0 CCADLP C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC000649224676 390529816 /nfs/dbraw/zinc/52/98/16/390529816.db2.gz DOVSMBCKCFLTQZ-SGMGOOAPSA-N 2 2 274.368 0.608 20 0 CCADLP C[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000519706760 390532107 /nfs/dbraw/zinc/53/21/07/390532107.db2.gz OCNNPBORZXZYHC-KGLIPLIRSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H](NC(=O)C[N@H+]1CCC(C)(C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000519706760 390532112 /nfs/dbraw/zinc/53/21/12/390532112.db2.gz OCNNPBORZXZYHC-KGLIPLIRSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H](C[NH2+]C[C@@H](O)C(F)(F)F)C[NH+]1CCOCC1 ZINC000565770247 390543283 /nfs/dbraw/zinc/54/32/83/390543283.db2.gz LJRXURFAICMOSK-VHSXEESVSA-N 2 2 270.295 0.468 20 0 CCADLP C[C@H]([NH3+])CCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645978150 390556982 /nfs/dbraw/zinc/55/69/82/390556982.db2.gz VGYDHQUPPNKCGD-QWHCGFSZSA-N 3 2 282.432 0.399 20 0 CCADLP C[C@H]([NH3+])CCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645978150 390556985 /nfs/dbraw/zinc/55/69/85/390556985.db2.gz VGYDHQUPPNKCGD-QWHCGFSZSA-N 3 2 282.432 0.399 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1C[NH2+]CCC1(F)F)Cn1cc[nH+]c1 ZINC000649302362 390561472 /nfs/dbraw/zinc/56/14/72/390561472.db2.gz IMKVXUOPYUOQOU-MNOVXSKESA-N 2 2 286.326 0.880 20 0 CCADLP CC[C@H](O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000520248133 390562333 /nfs/dbraw/zinc/56/23/33/390562333.db2.gz QAPICDZZWTYCJU-KKUMJFAQSA-N 2 2 288.432 0.551 20 0 CCADLP CC[C@H](O)[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000520248133 390562336 /nfs/dbraw/zinc/56/23/36/390562336.db2.gz QAPICDZZWTYCJU-KKUMJFAQSA-N 2 2 288.432 0.551 20 0 CCADLP CC[C@H](O)[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)CCOC ZINC000520248133 390562338 /nfs/dbraw/zinc/56/23/38/390562338.db2.gz QAPICDZZWTYCJU-KKUMJFAQSA-N 2 2 288.432 0.551 20 0 CCADLP CC[C@H](O)[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)CCOC ZINC000520248133 390562341 /nfs/dbraw/zinc/56/23/41/390562341.db2.gz QAPICDZZWTYCJU-KKUMJFAQSA-N 2 2 288.432 0.551 20 0 CCADLP [NH3+]C1(C(=O)NCCNc2ccc3ccccc3[nH+]2)CC1 ZINC000649306613 390567169 /nfs/dbraw/zinc/56/71/69/390567169.db2.gz BYNBGVFPMYIRPL-UHFFFAOYSA-N 2 2 270.336 0.676 20 0 CCADLP O=C1NCC[C@H]1CC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000566017919 390568917 /nfs/dbraw/zinc/56/89/17/390568917.db2.gz PAMQPDKHGGNHED-CABCVRRESA-N 2 2 295.427 0.557 20 0 CCADLP O=C1NCC[C@H]1CC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000566017919 390568919 /nfs/dbraw/zinc/56/89/19/390568919.db2.gz PAMQPDKHGGNHED-CABCVRRESA-N 2 2 295.427 0.557 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000522146948 390627417 /nfs/dbraw/zinc/62/74/17/390627417.db2.gz HAWFUVDLBTUPHR-GFCCVEGCSA-N 2 2 269.389 0.165 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000522146948 390627420 /nfs/dbraw/zinc/62/74/20/390627420.db2.gz HAWFUVDLBTUPHR-GFCCVEGCSA-N 2 2 269.389 0.165 20 0 CCADLP C[NH+]1CC[C@@H](C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000522146948 390627424 /nfs/dbraw/zinc/62/74/24/390627424.db2.gz HAWFUVDLBTUPHR-GFCCVEGCSA-N 2 2 269.389 0.165 20 0 CCADLP C[NH+]1CC[C@@H](C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000522146948 390627427 /nfs/dbraw/zinc/62/74/27/390627427.db2.gz HAWFUVDLBTUPHR-GFCCVEGCSA-N 2 2 269.389 0.165 20 0 CCADLP Cc1cccc2[nH+]c(CCNC(=O)NCC3C[NH2+]C3)cn21 ZINC000646202857 390631625 /nfs/dbraw/zinc/63/16/25/390631625.db2.gz HZIHHIOTTWSNBF-UHFFFAOYSA-N 2 2 287.367 0.704 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)c1c[nH+]ccc1N ZINC000566739034 390643393 /nfs/dbraw/zinc/64/33/93/390643393.db2.gz JZFRQZPREBWQBC-UHFFFAOYSA-N 2 2 259.313 0.853 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc(CO)c(F)c1)C1CC1 ZINC000566850861 390653519 /nfs/dbraw/zinc/65/35/19/390653519.db2.gz STSLPXIKXLVHKP-CQSZACIVSA-N 2 2 282.359 0.863 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc(CO)c(F)c1)C1CC1 ZINC000566850861 390653521 /nfs/dbraw/zinc/65/35/21/390653521.db2.gz STSLPXIKXLVHKP-CQSZACIVSA-N 2 2 282.359 0.863 20 0 CCADLP CC(C)CNC(=O)[C@@H](C)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103784 390598381 /nfs/dbraw/zinc/59/83/81/390598381.db2.gz OLECDRLQUJUANX-CQSZACIVSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)CNC(=O)[C@@H](C)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103784 390598383 /nfs/dbraw/zinc/59/83/83/390598383.db2.gz OLECDRLQUJUANX-CQSZACIVSA-N 2 2 297.443 0.944 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000521212638 390599323 /nfs/dbraw/zinc/59/93/23/390599323.db2.gz CJSAXWWVORPENJ-SECBINFHSA-N 2 2 277.294 0.422 20 0 CCADLP CCn1nnc(C)c1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106874 390600433 /nfs/dbraw/zinc/60/04/33/390600433.db2.gz XAUNVPIKQQXNHR-UHFFFAOYSA-N 2 2 293.415 0.903 20 0 CCADLP CCn1nnc(C)c1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106874 390600439 /nfs/dbraw/zinc/60/04/39/390600439.db2.gz XAUNVPIKQQXNHR-UHFFFAOYSA-N 2 2 293.415 0.903 20 0 CCADLP C[C@@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)[NH+]1CCOCC1 ZINC000521268430 390602601 /nfs/dbraw/zinc/60/26/01/390602601.db2.gz HLNSGDPDPWLGOT-RRFJBIMHSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)[NH+]1CCOCC1 ZINC000521268430 390602605 /nfs/dbraw/zinc/60/26/05/390602605.db2.gz HLNSGDPDPWLGOT-RRFJBIMHSA-N 2 2 295.427 0.650 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](OC)C(C)(C)C1 ZINC000566429555 390604466 /nfs/dbraw/zinc/60/44/66/390604466.db2.gz VPHDCYYFSHCWIO-KGLIPLIRSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](OC)C(C)(C)C1 ZINC000566429555 390604471 /nfs/dbraw/zinc/60/44/71/390604471.db2.gz VPHDCYYFSHCWIO-KGLIPLIRSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000566429555 390604476 /nfs/dbraw/zinc/60/44/76/390604476.db2.gz VPHDCYYFSHCWIO-KGLIPLIRSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000566429555 390604479 /nfs/dbraw/zinc/60/44/79/390604479.db2.gz VPHDCYYFSHCWIO-KGLIPLIRSA-N 2 2 288.432 0.672 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)CC2CC[NH+](C)CC2)CCO1 ZINC000643969580 390611098 /nfs/dbraw/zinc/61/10/98/390611098.db2.gz FTCJIUOZKHJRQA-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)CC2CC[NH+](C)CC2)CCO1 ZINC000643969580 390611102 /nfs/dbraw/zinc/61/11/02/390611102.db2.gz FTCJIUOZKHJRQA-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP COC(=O)C(C)(C)CCN1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000567613298 390706921 /nfs/dbraw/zinc/70/69/21/390706921.db2.gz XFAVIXBVLDKRSO-LLVKDONJSA-N 2 2 257.378 0.150 20 0 CCADLP COC(=O)C(C)(C)CCN1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000567613298 390706922 /nfs/dbraw/zinc/70/69/22/390706922.db2.gz XFAVIXBVLDKRSO-LLVKDONJSA-N 2 2 257.378 0.150 20 0 CCADLP COCc1cccc(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000646835451 390726395 /nfs/dbraw/zinc/72/63/95/390726395.db2.gz FFOKCCVQNQEBJU-OAHLLOKOSA-N 2 2 291.395 0.477 20 0 CCADLP COCc1cccc(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000646835451 390726396 /nfs/dbraw/zinc/72/63/96/390726396.db2.gz FFOKCCVQNQEBJU-OAHLLOKOSA-N 2 2 291.395 0.477 20 0 CCADLP COc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1F ZINC000566985828 390664530 /nfs/dbraw/zinc/66/45/30/390664530.db2.gz ZFMGJUHGVMWUSO-AAEUAGOBSA-N 2 2 293.342 0.578 20 0 CCADLP COc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1F ZINC000566985828 390664532 /nfs/dbraw/zinc/66/45/32/390664532.db2.gz ZFMGJUHGVMWUSO-AAEUAGOBSA-N 2 2 293.342 0.578 20 0 CCADLP Nc1cc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)ccn1 ZINC000567120679 390673033 /nfs/dbraw/zinc/67/30/33/390673033.db2.gz JBSVQQNGPSJBSR-UHFFFAOYSA-N 2 2 258.329 0.539 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000567159425 390675374 /nfs/dbraw/zinc/67/53/74/390675374.db2.gz ZBYJUEFXJSYCBR-LXTVHRRPSA-N 2 2 297.443 0.990 20 0 CCADLP COC[C@H](C)C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000526118917 390678463 /nfs/dbraw/zinc/67/84/63/390678463.db2.gz TWBZGMQNRKUPNZ-VXGBXAGGSA-N 2 2 257.378 0.198 20 0 CCADLP COC[C@H](C)C[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000526118917 390678465 /nfs/dbraw/zinc/67/84/65/390678465.db2.gz TWBZGMQNRKUPNZ-VXGBXAGGSA-N 2 2 257.378 0.198 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC1CC[NH+](C)CC1 ZINC000527239672 390697655 /nfs/dbraw/zinc/69/76/55/390697655.db2.gz IXDKUMBTQIJTCD-UHFFFAOYSA-N 2 2 264.373 0.811 20 0 CCADLP Cn1cc[nH+]c1CN1CCN(C(=O)CC2(C[NH3+])CC2)CC1 ZINC000571759103 390751415 /nfs/dbraw/zinc/75/14/15/390751415.db2.gz AEJOBXSCSKVSEZ-UHFFFAOYSA-N 2 2 291.399 0.193 20 0 CCADLP C[C@@H]([NH3+])CNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000647021633 390759160 /nfs/dbraw/zinc/75/91/60/390759160.db2.gz VRKBQOQUAZEXDP-GFCCVEGCSA-N 2 2 272.352 0.937 20 0 CCADLP OC[C@@]1([NH2+]Cc2c[nH+]c[nH]2)COc2ccccc2C1 ZINC000528647162 390766027 /nfs/dbraw/zinc/76/60/27/390766027.db2.gz VLVCKBHZSNSACV-CQSZACIVSA-N 2 2 259.309 0.866 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](CO)c1ccccc1C ZINC000572055304 390766043 /nfs/dbraw/zinc/76/60/43/390766043.db2.gz HRSMAPJAIJGKFF-GDBMZVCRSA-N 2 2 296.411 0.557 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](CO)c1ccccc1C ZINC000572055304 390766045 /nfs/dbraw/zinc/76/60/45/390766045.db2.gz HRSMAPJAIJGKFF-GDBMZVCRSA-N 2 2 296.411 0.557 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000528682524 390767958 /nfs/dbraw/zinc/76/79/58/390767958.db2.gz IUCLIDZWXOWFLL-OLZOCXBDSA-N 2 2 271.405 0.240 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000528682524 390767960 /nfs/dbraw/zinc/76/79/60/390767960.db2.gz IUCLIDZWXOWFLL-OLZOCXBDSA-N 2 2 271.405 0.240 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000528682524 390767962 /nfs/dbraw/zinc/76/79/62/390767962.db2.gz IUCLIDZWXOWFLL-OLZOCXBDSA-N 2 2 271.405 0.240 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000528682524 390767964 /nfs/dbraw/zinc/76/79/64/390767964.db2.gz IUCLIDZWXOWFLL-OLZOCXBDSA-N 2 2 271.405 0.240 20 0 CCADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCC[C@H]3CCC[NH2+]3)C[C@@H]21 ZINC000572104148 390768063 /nfs/dbraw/zinc/76/80/63/390768063.db2.gz JXMCPMPDJGJSRC-HZSPNIEDSA-N 2 2 296.415 0.243 20 0 CCADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)NCC[C@H]3CCC[NH2+]3)C[C@@H]21 ZINC000572104148 390768066 /nfs/dbraw/zinc/76/80/66/390768066.db2.gz JXMCPMPDJGJSRC-HZSPNIEDSA-N 2 2 296.415 0.243 20 0 CCADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000528691826 390769062 /nfs/dbraw/zinc/76/90/62/390769062.db2.gz OIPPTTLSXAJCOQ-NSHDSACASA-N 2 2 264.329 0.808 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000572290251 390776717 /nfs/dbraw/zinc/77/67/17/390776717.db2.gz LFFXYDZGNODKBU-WCQYABFASA-N 2 2 257.378 0.341 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000572290251 390776718 /nfs/dbraw/zinc/77/67/18/390776718.db2.gz LFFXYDZGNODKBU-WCQYABFASA-N 2 2 257.378 0.341 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C12CCC2)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000529318907 390806800 /nfs/dbraw/zinc/80/68/00/390806800.db2.gz CRCUAEUVKKSMBB-NEPJUHHUSA-N 2 2 289.383 0.782 20 0 CCADLP CCC(C)(C)CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000572499654 390786569 /nfs/dbraw/zinc/78/65/69/390786569.db2.gz TWIVREXEIQPWMU-LLVKDONJSA-N 2 2 256.394 0.707 20 0 CCADLP CCC(C)(C)CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000572499654 390786571 /nfs/dbraw/zinc/78/65/71/390786571.db2.gz TWIVREXEIQPWMU-LLVKDONJSA-N 2 2 256.394 0.707 20 0 CCADLP C[C@H](F)CC[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000572631704 390793124 /nfs/dbraw/zinc/79/31/24/390793124.db2.gz CKNVFNPLTDXRNT-LOWDOPEQSA-N 2 2 262.369 0.794 20 0 CCADLP CNC(=O)c1ccc(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000572689617 390797053 /nfs/dbraw/zinc/79/70/53/390797053.db2.gz BVMIRZVULBEHQA-HNNXBMFYSA-N 2 2 291.395 0.591 20 0 CCADLP CNC(=O)c1ccc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000572689617 390797055 /nfs/dbraw/zinc/79/70/55/390797055.db2.gz BVMIRZVULBEHQA-HNNXBMFYSA-N 2 2 291.395 0.591 20 0 CCADLP O=C(N[C@@H]1CC[NH2+]C12CCC2)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000529323207 390807873 /nfs/dbraw/zinc/80/78/73/390807873.db2.gz DIIALXSWXJBJFZ-GXFFZTMASA-N 2 2 289.383 0.851 20 0 CCADLP O=C(N[C@@H]1CC[NH2+]C12CCC2)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000529323207 390807874 /nfs/dbraw/zinc/80/78/74/390807874.db2.gz DIIALXSWXJBJFZ-GXFFZTMASA-N 2 2 289.383 0.851 20 0 CCADLP COCC[NH2+]C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000572772725 390802277 /nfs/dbraw/zinc/80/22/77/390802277.db2.gz LTRCRDRORTYFPA-UHFFFAOYSA-N 2 2 269.389 0.309 20 0 CCADLP COc1c(N)[nH+]cnc1N1CCC[C@@H]([NH+](C)C)CC1 ZINC000571537862 390741207 /nfs/dbraw/zinc/74/12/07/390741207.db2.gz MCKHSXDRUARYGM-SNVBAGLBSA-N 2 2 265.361 0.988 20 0 CCADLP COc1c(N)nc[nH+]c1N1CCC[C@@H]([NH+](C)C)CC1 ZINC000571537862 390741210 /nfs/dbraw/zinc/74/12/10/390741210.db2.gz MCKHSXDRUARYGM-SNVBAGLBSA-N 2 2 265.361 0.988 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000646918364 390741428 /nfs/dbraw/zinc/74/14/28/390741428.db2.gz TVVMOGQYCUZCRG-DGCLKSJQSA-N 2 2 262.357 0.515 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000646918364 390741429 /nfs/dbraw/zinc/74/14/29/390741429.db2.gz TVVMOGQYCUZCRG-DGCLKSJQSA-N 2 2 262.357 0.515 20 0 CCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000529328692 390809794 /nfs/dbraw/zinc/80/97/94/390809794.db2.gz VXXGOEJWRUGKSQ-BXUZGUMPSA-N 2 2 291.399 0.906 20 0 CCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000529328692 390809795 /nfs/dbraw/zinc/80/97/95/390809795.db2.gz VXXGOEJWRUGKSQ-BXUZGUMPSA-N 2 2 291.399 0.906 20 0 CCADLP CN(C(=O)C1CC[NH+](CC(F)F)CC1)[C@@H]1CC[NH2+]C1 ZINC000572952375 390812502 /nfs/dbraw/zinc/81/25/02/390812502.db2.gz KVWWBPMSJKHFSA-LLVKDONJSA-N 2 2 275.343 0.784 20 0 CCADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1nc2c(s1)CCC2 ZINC000647492990 390824014 /nfs/dbraw/zinc/82/40/14/390824014.db2.gz NBURXLSJZDXNTB-UHFFFAOYSA-N 2 2 280.441 0.969 20 0 CCADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1nc2c(s1)CCC2 ZINC000647492990 390824016 /nfs/dbraw/zinc/82/40/16/390824016.db2.gz NBURXLSJZDXNTB-UHFFFAOYSA-N 2 2 280.441 0.969 20 0 CCADLP C[C@H](CC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)n1cc[nH+]c1 ZINC000574920304 390824983 /nfs/dbraw/zinc/82/49/83/390824983.db2.gz FZUSBOFTCAGKFU-OLZOCXBDSA-N 2 2 280.372 0.671 20 0 CCADLP C[C@H](CC(=O)NCC[N@H+]1CCO[C@@H](C)C1)n1cc[nH+]c1 ZINC000574920304 390824985 /nfs/dbraw/zinc/82/49/85/390824985.db2.gz FZUSBOFTCAGKFU-OLZOCXBDSA-N 2 2 280.372 0.671 20 0 CCADLP Cc1nn2c(CN3CC[N@@H+](C)C[C@H]3C[NH3+])c(C)nc2s1 ZINC000647539556 390837564 /nfs/dbraw/zinc/83/75/64/390837564.db2.gz PGZWTIVFDVRBRB-LLVKDONJSA-N 2 2 294.428 0.482 20 0 CCADLP Cc1nn2c(CN3CC[N@H+](C)C[C@H]3C[NH3+])c(C)nc2s1 ZINC000647539556 390837566 /nfs/dbraw/zinc/83/75/66/390837566.db2.gz PGZWTIVFDVRBRB-LLVKDONJSA-N 2 2 294.428 0.482 20 0 CCADLP CN(C)c1ncc(CN2CC[N@H+](C)C[C@H]2C[NH3+])s1 ZINC000647539348 390837665 /nfs/dbraw/zinc/83/76/65/390837665.db2.gz VFPZJXFUJZOQSN-SNVBAGLBSA-N 2 2 269.418 0.284 20 0 CCADLP CN(C)c1ncc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])s1 ZINC000647539348 390837668 /nfs/dbraw/zinc/83/76/68/390837668.db2.gz VFPZJXFUJZOQSN-SNVBAGLBSA-N 2 2 269.418 0.284 20 0 CCADLP C[C@H](C(=O)N1CCCCC1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000577861502 390849312 /nfs/dbraw/zinc/84/93/12/390849312.db2.gz CBDSWRFPXIRDFV-CYBMUJFWSA-N 2 2 291.399 0.933 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000577875345 390850882 /nfs/dbraw/zinc/85/08/82/390850882.db2.gz YJOBPKMXYIBGOR-VHSXEESVSA-N 2 2 274.328 0.518 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCOC[C@H]1CCCO1 ZINC000578617088 390894014 /nfs/dbraw/zinc/89/40/14/390894014.db2.gz UKKZRNNIRAMYQX-MGPQQGTHSA-N 2 2 272.389 0.539 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)[C@H](C)[NH3+] ZINC000423680564 533254254 /nfs/dbraw/zinc/25/42/54/533254254.db2.gz NJIGQPZTRVDRAE-LOWVWBTDSA-N 2 2 269.389 0.339 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1)[C@H](C)[NH3+] ZINC000423680564 533254257 /nfs/dbraw/zinc/25/42/57/533254257.db2.gz NJIGQPZTRVDRAE-LOWVWBTDSA-N 2 2 269.389 0.339 20 0 CCADLP CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@H+](CCc2c[nH+]cn2C)C1 ZINC000424106842 533540234 /nfs/dbraw/zinc/54/02/34/533540234.db2.gz XXPCPTCMQCFNGQ-OLZOCXBDSA-N 2 2 290.371 0.851 20 0 CCADLP CO[C@@H]1C[C@@H](c2nnc(C)[nH]2)[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000424106842 533540242 /nfs/dbraw/zinc/54/02/42/533540242.db2.gz XXPCPTCMQCFNGQ-OLZOCXBDSA-N 2 2 290.371 0.851 20 0 CCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000529322614 285445164 /nfs/dbraw/zinc/44/51/64/285445164.db2.gz SOPUBKXMRQXZAC-QWHCGFSZSA-N 2 2 291.399 0.837 20 0 CCADLP CNC(=O)C[C@H](C)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000341960964 130175629 /nfs/dbraw/zinc/17/56/29/130175629.db2.gz AFBRKAFWTYTPNP-JQWIXIFHSA-N 2 2 259.419 0.538 20 0 CCADLP C[NH2+]CC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000237210004 131014065 /nfs/dbraw/zinc/01/40/65/131014065.db2.gz CCQXQWSYKCKZGG-UHFFFAOYSA-N 2 2 287.367 0.198 20 0 CCADLP C[C@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)Cn1cc[nH+]c1 ZINC000237454485 131032398 /nfs/dbraw/zinc/03/23/98/131032398.db2.gz KUVBFGWNRURIQU-YPMHNXCESA-N 2 2 250.346 0.635 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)Cn1cc[nH+]c1 ZINC000237466950 131034608 /nfs/dbraw/zinc/03/46/08/131034608.db2.gz NMFKVVDQYSDNGK-GRYCIOLGSA-N 2 2 250.346 0.763 20 0 CCADLP [NH3+]CCCC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000237923734 131065776 /nfs/dbraw/zinc/06/57/76/131065776.db2.gz FLDPSISQSJYVNL-HNNXBMFYSA-N 2 2 291.395 0.743 20 0 CCADLP [NH3+]CCCC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000237923734 131065777 /nfs/dbraw/zinc/06/57/77/131065777.db2.gz FLDPSISQSJYVNL-HNNXBMFYSA-N 2 2 291.395 0.743 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)no1 ZINC000252874027 131140434 /nfs/dbraw/zinc/14/04/34/131140434.db2.gz VALZSFTWSYUONH-SRVKXCTJSA-N 2 2 278.356 0.981 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)no1 ZINC000252874027 131140435 /nfs/dbraw/zinc/14/04/35/131140435.db2.gz VALZSFTWSYUONH-SRVKXCTJSA-N 2 2 278.356 0.981 20 0 CCADLP C[NH2+]CCC(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000262381688 131216949 /nfs/dbraw/zinc/21/69/49/131216949.db2.gz NBEJLBHCXVOYIU-UHFFFAOYSA-N 2 2 280.372 0.545 20 0 CCADLP Cc1ncc(C[NH+]2CCN(C(=O)C3([NH3+])CC3)CC2)s1 ZINC000262698360 131252043 /nfs/dbraw/zinc/25/20/43/131252043.db2.gz FSMXZQGSJTWJOU-UHFFFAOYSA-N 2 2 280.397 0.587 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)NCc1[nH+]ccn1C ZINC000264114885 131396899 /nfs/dbraw/zinc/39/68/99/131396899.db2.gz GWWQLWOLFBJBOU-SNVBAGLBSA-N 2 2 253.350 0.560 20 0 CCADLP CN1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1=O ZINC000268873345 132081255 /nfs/dbraw/zinc/08/12/55/132081255.db2.gz UYVGMTALKYTROR-HNNXBMFYSA-N 2 2 288.395 0.866 20 0 CCADLP [NH3+]CCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000269108727 132113069 /nfs/dbraw/zinc/11/30/69/132113069.db2.gz HEGBXCFSIGLPQM-UHFFFAOYSA-N 2 2 263.341 0.207 20 0 CCADLP [NH3+][C@H]1CCN(C(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000269154869 132122212 /nfs/dbraw/zinc/12/22/12/132122212.db2.gz FTNFKEKNLATFFR-AWEZNQCLSA-N 2 2 289.379 0.692 20 0 CCADLP [NH3+][C@@H]1CC[C@H](C(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000269230400 132137534 /nfs/dbraw/zinc/13/75/34/132137534.db2.gz CNKZFIJUTHYMMG-WDEREUQCSA-N 2 2 262.357 0.963 20 0 CCADLP Cc1ccn2cc(CNC(=O)[C@@H]3C[NH2+]CCO3)[nH+]c2c1 ZINC000269236729 132139433 /nfs/dbraw/zinc/13/94/33/132139433.db2.gz HLGOAQQNHUMJAV-LBPRGKRZSA-N 2 2 274.324 0.247 20 0 CCADLP O=C(C[NH2+]C[C@@H]1CCCO1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000269245245 132140845 /nfs/dbraw/zinc/14/08/45/132140845.db2.gz MBHSCAJAQKLHPG-OLZOCXBDSA-N 2 2 292.383 0.884 20 0 CCADLP Cc1cn2cc(NC(=O)[C@H]3C[C@H](O)C[NH2+]3)ccc2[nH+]1 ZINC000269243833 132140911 /nfs/dbraw/zinc/14/09/11/132140911.db2.gz KYJKPAMSDOHPIS-WDEREUQCSA-N 2 2 260.297 0.304 20 0 CCADLP Cc1ccn2cc(CNC(=O)C[C@H]3C[NH2+]CCO3)[nH+]c2c1 ZINC000269260709 132144682 /nfs/dbraw/zinc/14/46/82/132144682.db2.gz VQQLROZISDOQAK-ZDUSSCGKSA-N 2 2 288.351 0.637 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](CO)CC2CC2)n1C ZINC000657715159 413055383 /nfs/dbraw/zinc/05/53/83/413055383.db2.gz JWBALAPVAGSHII-GFCCVEGCSA-N 2 2 266.389 0.984 20 0 CCADLP c1cn(-c2ccc(C[NH2+]C[C@H]3COCCN3)cc2)c[nH+]1 ZINC000530182717 285559745 /nfs/dbraw/zinc/55/97/45/285559745.db2.gz YJGUJYKAOWWYJX-AWEZNQCLSA-N 2 2 272.352 0.950 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C1CC(CF)(CF)C1 ZINC000657879873 413071066 /nfs/dbraw/zinc/07/10/66/413071066.db2.gz MXVZTZCCYLBHOZ-GFCCVEGCSA-N 2 2 261.360 0.910 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C1CC(CF)(CF)C1 ZINC000657879873 413071069 /nfs/dbraw/zinc/07/10/69/413071069.db2.gz MXVZTZCCYLBHOZ-GFCCVEGCSA-N 2 2 261.360 0.910 20 0 CCADLP CCC[N@@H+]1CC[C@H]([NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000658283823 413116643 /nfs/dbraw/zinc/11/66/43/413116643.db2.gz DEEGCLVHHPJECW-AVERBVTBSA-N 2 2 294.399 0.581 20 0 CCADLP CCC[N@H+]1CC[C@H]([NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000658283823 413116647 /nfs/dbraw/zinc/11/66/47/413116647.db2.gz DEEGCLVHHPJECW-AVERBVTBSA-N 2 2 294.399 0.581 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NCC1CC1 ZINC000037917650 397390161 /nfs/dbraw/zinc/39/01/61/397390161.db2.gz LLDLWPPVMGINIF-ZIAGYGMSSA-N 2 2 265.401 0.977 20 0 CCADLP O=C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NCC1CC1 ZINC000037917650 397390165 /nfs/dbraw/zinc/39/01/65/397390165.db2.gz LLDLWPPVMGINIF-ZIAGYGMSSA-N 2 2 265.401 0.977 20 0 CCADLP C[C@H]([NH3+])CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000040832857 397395123 /nfs/dbraw/zinc/39/51/23/397395123.db2.gz JUDYHMBVLRTBNX-ZDUSSCGKSA-N 2 2 291.395 0.872 20 0 CCADLP C[C@@H](NC(=O)N1CC[NH+](C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000356539568 144012305 /nfs/dbraw/zinc/01/23/05/144012305.db2.gz BOWNAERJPFGEMG-CHWSQXEVSA-N 2 2 284.404 0.053 20 0 CCADLP O=C(NCCC[NH+]1CCCC1)N1CCn2c[nH+]cc2C1 ZINC000357023719 144051749 /nfs/dbraw/zinc/05/17/49/144051749.db2.gz DICWOZMKFFPCGS-UHFFFAOYSA-N 2 2 277.372 0.894 20 0 CCADLP COc1coc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1=O ZINC000357068180 144056283 /nfs/dbraw/zinc/05/62/83/144056283.db2.gz GBZFXDQUDDOPQS-WDEREUQCSA-N 2 2 264.325 0.690 20 0 CCADLP COc1coc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1=O ZINC000357068180 144056285 /nfs/dbraw/zinc/05/62/85/144056285.db2.gz GBZFXDQUDDOPQS-WDEREUQCSA-N 2 2 264.325 0.690 20 0 CCADLP CN(C)c1nccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000357119616 144062482 /nfs/dbraw/zinc/06/24/82/144062482.db2.gz LTRIAJLQCRAPLB-NEPJUHHUSA-N 2 2 261.373 0.584 20 0 CCADLP CN(C)c1nccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000357119616 144062484 /nfs/dbraw/zinc/06/24/84/144062484.db2.gz LTRIAJLQCRAPLB-NEPJUHHUSA-N 2 2 261.373 0.584 20 0 CCADLP O=C(C[C@@H]1COCC[NH2+]1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000357234613 144071206 /nfs/dbraw/zinc/07/12/06/144071206.db2.gz CAXAKTNMBQTRMT-GFCCVEGCSA-N 2 2 278.356 0.494 20 0 CCADLP O=C(C[C@@H]1COCC[NH2+]1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000357234613 144071207 /nfs/dbraw/zinc/07/12/07/144071207.db2.gz CAXAKTNMBQTRMT-GFCCVEGCSA-N 2 2 278.356 0.494 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCCC[NH+]1CCOCC1 ZINC000357309394 144080886 /nfs/dbraw/zinc/08/08/86/144080886.db2.gz USCDZIIGVIISCI-UHFFFAOYSA-N 2 2 280.372 0.191 20 0 CCADLP C[C@@H](C(=O)N1CCCCC1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357721926 144115830 /nfs/dbraw/zinc/11/58/30/144115830.db2.gz FSHKDBJVLBNLJY-AWEZNQCLSA-N 2 2 297.443 0.776 20 0 CCADLP C[C@@H](C(=O)N1CCCCC1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357721926 144115831 /nfs/dbraw/zinc/11/58/31/144115831.db2.gz FSHKDBJVLBNLJY-AWEZNQCLSA-N 2 2 297.443 0.776 20 0 CCADLP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCOCC1)C1=CC[N@H+](C)CC1 ZINC000357906479 144131933 /nfs/dbraw/zinc/13/19/33/144131933.db2.gz LJBQPJIHPIZZIO-CHWSQXEVSA-N 2 2 281.400 0.474 20 0 CCADLP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCOCC1)C1=CC[N@@H+](C)CC1 ZINC000357906479 144131935 /nfs/dbraw/zinc/13/19/35/144131935.db2.gz LJBQPJIHPIZZIO-CHWSQXEVSA-N 2 2 281.400 0.474 20 0 CCADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000357938337 144135231 /nfs/dbraw/zinc/13/52/31/144135231.db2.gz XYKGEEPSNGAPQJ-CHWSQXEVSA-N 2 2 272.308 0.534 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)NCc2c[nH+]cn2C)n1C ZINC000357982152 144140274 /nfs/dbraw/zinc/14/02/74/144140274.db2.gz XWLAOELKGRYRQK-UHFFFAOYSA-N 2 2 291.359 0.219 20 0 CCADLP CC[NH+]1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000358604042 144166014 /nfs/dbraw/zinc/16/60/14/144166014.db2.gz QRRZOLXXNDICEA-UHFFFAOYSA-N 2 2 283.416 0.653 20 0 CCADLP COC(=O)CCNC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000369345467 144264745 /nfs/dbraw/zinc/26/47/45/144264745.db2.gz SDQABFIUBDEYHJ-UHFFFAOYSA-N 2 2 294.355 0.268 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000371317183 144327191 /nfs/dbraw/zinc/32/71/91/144327191.db2.gz OSYCPQWCHQAVBI-OLZOCXBDSA-N 2 2 290.367 0.797 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000371317183 144327193 /nfs/dbraw/zinc/32/71/93/144327193.db2.gz OSYCPQWCHQAVBI-OLZOCXBDSA-N 2 2 290.367 0.797 20 0 CCADLP c1coc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000371664079 144339875 /nfs/dbraw/zinc/33/98/75/144339875.db2.gz PRFUYTWLGHTPAA-AWEZNQCLSA-N 2 2 279.384 0.776 20 0 CCADLP CN(C(=O)C[NH+](C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371972444 144348764 /nfs/dbraw/zinc/34/87/64/144348764.db2.gz FACBIPCDMGMSNE-AWEZNQCLSA-N 3 2 282.432 0.175 20 0 CCADLP CN(C(=O)C[NH+](C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371972444 144348766 /nfs/dbraw/zinc/34/87/66/144348766.db2.gz FACBIPCDMGMSNE-AWEZNQCLSA-N 3 2 282.432 0.175 20 0 CCADLP Cc1cc(C)n(CC[N@@H+]2CCO[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000386813930 397503058 /nfs/dbraw/zinc/50/30/58/397503058.db2.gz SHDZTZPHPYZIEI-QWHCGFSZSA-N 2 2 252.362 0.548 20 0 CCADLP Cc1cc(C)n(CC[N@H+]2CCO[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000386813930 397503062 /nfs/dbraw/zinc/50/30/62/397503062.db2.gz SHDZTZPHPYZIEI-QWHCGFSZSA-N 2 2 252.362 0.548 20 0 CCADLP Cc1ncncc1[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000571938087 397579887 /nfs/dbraw/zinc/57/98/87/397579887.db2.gz ACFPSWGUSLJDEZ-BXUZGUMPSA-N 2 2 291.399 0.775 20 0 CCADLP Cc1ncncc1[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000571938087 397579889 /nfs/dbraw/zinc/57/98/89/397579889.db2.gz ACFPSWGUSLJDEZ-BXUZGUMPSA-N 2 2 291.399 0.775 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CCC[C@H](O)C2)CC1 ZINC000439504835 397539626 /nfs/dbraw/zinc/53/96/26/397539626.db2.gz MWYLLKOFENVSFH-ZFWWWQNUSA-N 2 2 297.443 0.680 20 0 CCADLP CO[C@H](CC(C)C)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649684807 397654769 /nfs/dbraw/zinc/65/47/69/397654769.db2.gz CPXSJKPGEXJMHC-CQSZACIVSA-N 2 2 285.432 0.753 20 0 CCADLP CO[C@H](CC(C)C)C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649684807 397654774 /nfs/dbraw/zinc/65/47/74/397654774.db2.gz CPXSJKPGEXJMHC-CQSZACIVSA-N 2 2 285.432 0.753 20 0 CCADLP C([C@@H]1CC[NH2+]C1)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000649413968 397607992 /nfs/dbraw/zinc/60/79/92/397607992.db2.gz ZNIMBLXYNXPZSO-ZIAGYGMSSA-N 3 2 253.390 0.250 20 0 CCADLP C([C@@H]1CC[NH2+]C1)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000649413968 397607994 /nfs/dbraw/zinc/60/79/94/397607994.db2.gz ZNIMBLXYNXPZSO-ZIAGYGMSSA-N 3 2 253.390 0.250 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCC(Cn2cnnc2)CC1 ZINC000649785067 397667973 /nfs/dbraw/zinc/66/79/73/397667973.db2.gz UYXVDXIIVZPVQY-UHFFFAOYSA-N 2 2 274.372 0.966 20 0 CCADLP COCC[NH2+]C1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000650704166 397746949 /nfs/dbraw/zinc/74/69/49/397746949.db2.gz LAESDCRCVFPVPW-CQSZACIVSA-N 3 2 255.406 0.686 20 0 CCADLP CCO[C@@H]1C[N@H+](Cc2cc(C(N)=O)cs2)C[C@H]1C[NH3+] ZINC000650714428 397747523 /nfs/dbraw/zinc/74/75/23/397747523.db2.gz CRFWEJSZECRKIE-ZYHUDNBSSA-N 2 2 283.397 0.643 20 0 CCADLP CCO[C@@H]1C[N@@H+](Cc2cc(C(N)=O)cs2)C[C@H]1C[NH3+] ZINC000650714428 397747524 /nfs/dbraw/zinc/74/75/24/397747524.db2.gz CRFWEJSZECRKIE-ZYHUDNBSSA-N 2 2 283.397 0.643 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCC1CC[NH2+]CC1 ZINC000650761740 397754074 /nfs/dbraw/zinc/75/40/74/397754074.db2.gz JBKUQASXDTVDIE-OCCSQVGLSA-N 3 2 255.406 0.733 20 0 CCADLP CN(C)c1ncc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cn1 ZINC000547967548 285992278 /nfs/dbraw/zinc/99/22/78/285992278.db2.gz QVHYKMBDLLGRAE-GFCCVEGCSA-N 2 2 272.356 0.844 20 0 CCADLP C[NH+](C)[C@@H]1CCN(c2nc(N[C@H]3CCCOC3)cc[nH+]2)C1 ZINC000548027012 285997568 /nfs/dbraw/zinc/99/75/68/285997568.db2.gz LJPOKLCHMPYVKO-QWHCGFSZSA-N 2 2 291.399 0.630 20 0 CCADLP C[N@H+](CCNC(=O)N[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000548610793 286051920 /nfs/dbraw/zinc/05/19/20/286051920.db2.gz URGKXTGQIUGZQX-NSHDSACASA-N 2 2 277.372 0.591 20 0 CCADLP C[N@@H+](CCNC(=O)N[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000548610793 286051921 /nfs/dbraw/zinc/05/19/21/286051921.db2.gz URGKXTGQIUGZQX-NSHDSACASA-N 2 2 277.372 0.591 20 0 CCADLP C[C@H]([C@H](C)NC(=O)CCCC[NH+](C)C)[NH+]1CCOCC1 ZINC000552118494 286153913 /nfs/dbraw/zinc/15/39/13/286153913.db2.gz JSQVMLVLBCGPIA-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP C[C@H](CNC(=O)C[NH+]1CC(C)(C)C1)C[NH+]1CCOCC1 ZINC000553145148 286181732 /nfs/dbraw/zinc/18/17/32/286181732.db2.gz QVJRSFURFGGELP-CYBMUJFWSA-N 2 2 283.416 0.413 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000659112188 413289909 /nfs/dbraw/zinc/28/99/09/413289909.db2.gz IVPPEBIDMZUTLV-SECBINFHSA-N 2 2 264.329 0.361 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CC1CC[NH2+]CC1 ZINC000430880136 297126526 /nfs/dbraw/zinc/12/65/26/297126526.db2.gz RVEATELXOKFUTN-GFCCVEGCSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)CC1CC[NH2+]CC1 ZINC000430880136 297126528 /nfs/dbraw/zinc/12/65/28/297126528.db2.gz RVEATELXOKFUTN-GFCCVEGCSA-N 2 2 269.389 0.213 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000659114703 413291377 /nfs/dbraw/zinc/29/13/77/413291377.db2.gz YQRSKFYBWYWXRZ-SECBINFHSA-N 2 2 289.339 0.305 20 0 CCADLP COCCN(CC[NH+](C)C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000362161568 292477806 /nfs/dbraw/zinc/47/78/06/292477806.db2.gz NAXWYVDLGATWET-ZDUSSCGKSA-N 2 2 294.399 0.482 20 0 CCADLP CC[C@@H]1CN(CC[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)CCO1 ZINC000423090610 287195621 /nfs/dbraw/zinc/19/56/21/287195621.db2.gz VUTCLOQAVXELNE-RRFJBIMHSA-N 2 2 285.432 0.454 20 0 CCADLP COCC[NH2+]C1CC[NH+]([C@H](C)CN2CCOCC2)CC1 ZINC000575129834 335070488 /nfs/dbraw/zinc/07/04/88/335070488.db2.gz AKADDUWRVVVRSK-CQSZACIVSA-N 2 2 285.432 0.408 20 0 CCADLP COc1ccc(OC)c(CN2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000124275038 411713250 /nfs/dbraw/zinc/71/32/50/411713250.db2.gz YQJICJZAWQLFBD-CYBMUJFWSA-N 2 2 279.384 0.779 20 0 CCADLP COc1ccc(OC)c(CN2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000124275038 411713258 /nfs/dbraw/zinc/71/32/58/411713258.db2.gz YQJICJZAWQLFBD-CYBMUJFWSA-N 2 2 279.384 0.779 20 0 CCADLP Nc1nc(N)c(CN2CC[NH+](Cc3ccccc3)CC2)c[nH+]1 ZINC000062339194 411688547 /nfs/dbraw/zinc/68/85/47/411688547.db2.gz YEYXFYVSQVZXJD-UHFFFAOYSA-N 2 2 298.394 0.959 20 0 CCADLP CC[C@@]1(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CCC[NH2+]1 ZINC000214458188 411734740 /nfs/dbraw/zinc/73/47/40/411734740.db2.gz XKJWKTMFSCKWGS-ZBFHGGJFSA-N 2 2 295.427 0.842 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000311139991 411750767 /nfs/dbraw/zinc/75/07/67/411750767.db2.gz KYZQLOOXHXMJSL-IHRRRGAJSA-N 2 2 256.390 0.657 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000311139991 411750772 /nfs/dbraw/zinc/75/07/72/411750772.db2.gz KYZQLOOXHXMJSL-IHRRRGAJSA-N 2 2 256.390 0.657 20 0 CCADLP CC[C@@H]1COC(C)(C)C[N@@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000403824523 411789562 /nfs/dbraw/zinc/78/95/62/411789562.db2.gz OSZCTYGBHIGIHL-KGLIPLIRSA-N 2 2 288.432 0.815 20 0 CCADLP CC[C@@H]1COC(C)(C)C[N@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000403824523 411789565 /nfs/dbraw/zinc/78/95/65/411789565.db2.gz OSZCTYGBHIGIHL-KGLIPLIRSA-N 2 2 288.432 0.815 20 0 CCADLP CC[C@@H]1COC(C)(C)C[NH+]1C[C@@H](O)C[N@H+](C)CCOC ZINC000403824523 411789567 /nfs/dbraw/zinc/78/95/67/411789567.db2.gz OSZCTYGBHIGIHL-KGLIPLIRSA-N 2 2 288.432 0.815 20 0 CCADLP CC[C@@H]1COC(C)(C)C[NH+]1C[C@@H](O)C[N@@H+](C)CCOC ZINC000403824523 411789570 /nfs/dbraw/zinc/78/95/70/411789570.db2.gz OSZCTYGBHIGIHL-KGLIPLIRSA-N 2 2 288.432 0.815 20 0 CCADLP NC(=O)[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000651939665 411966462 /nfs/dbraw/zinc/96/64/62/411966462.db2.gz MLJLJHSCZBRMPT-OTVXOJSOSA-N 2 2 288.395 0.900 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(-c2nncnn2)cc1 ZINC000652033305 411979523 /nfs/dbraw/zinc/97/95/23/411979523.db2.gz ONJNAGBOEMKAHQ-BXUZGUMPSA-N 2 2 284.367 0.973 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(-c2nncnn2)cc1 ZINC000652033305 411979526 /nfs/dbraw/zinc/97/95/26/411979526.db2.gz ONJNAGBOEMKAHQ-BXUZGUMPSA-N 2 2 284.367 0.973 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCC1(C[NH3+])CC1 ZINC000652236742 412014137 /nfs/dbraw/zinc/01/41/37/412014137.db2.gz YXIWGRITOCHGIS-ZDUSSCGKSA-N 2 2 298.431 0.478 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000652339602 412031865 /nfs/dbraw/zinc/03/18/65/412031865.db2.gz CHUQRJADAWJAMR-IHRRRGAJSA-N 3 2 255.406 0.421 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000652339602 412031867 /nfs/dbraw/zinc/03/18/67/412031867.db2.gz CHUQRJADAWJAMR-IHRRRGAJSA-N 3 2 255.406 0.421 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)NCC[C@@H]1CC[NH2+]C1 ZINC000653049337 412201690 /nfs/dbraw/zinc/20/16/90/412201690.db2.gz DQCZCPLRFJLHBA-LBPRGKRZSA-N 2 2 276.384 0.878 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC[C@H]1[NH3+] ZINC000653051383 412202263 /nfs/dbraw/zinc/20/22/63/412202263.db2.gz YBGZHKHPNRFTSS-DGCLKSJQSA-N 2 2 276.384 0.958 20 0 CCADLP CN(CCC[NH3+])C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653053367 412202701 /nfs/dbraw/zinc/20/27/01/412202701.db2.gz CMPAANIKSHVQQI-UHFFFAOYSA-N 2 2 250.346 0.569 20 0 CCADLP CO[C@H](CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C(F)(F)F ZINC000653055026 412203410 /nfs/dbraw/zinc/20/34/10/412203410.db2.gz ISAOQEBXOVEULE-RKDXNWHRSA-N 2 2 283.294 0.055 20 0 CCADLP CO[C@H](CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C(F)(F)F ZINC000653055026 412203412 /nfs/dbraw/zinc/20/34/12/412203412.db2.gz ISAOQEBXOVEULE-RKDXNWHRSA-N 2 2 283.294 0.055 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H]1COc2ccccc2O1 ZINC000653058427 412205286 /nfs/dbraw/zinc/20/52/86/412205286.db2.gz SSCQSNVEBAGTOZ-RYUDHWBXSA-N 2 2 293.367 0.222 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCc2ccccc2C1 ZINC000653060423 412206109 /nfs/dbraw/zinc/20/61/09/412206109.db2.gz CRLNHTXEXXYIJM-HUUCEWRRSA-N 2 2 275.396 0.939 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(CCO)cc1 ZINC000653065044 412207285 /nfs/dbraw/zinc/20/72/85/412207285.db2.gz QQLFNKSEBOZIDO-CYBMUJFWSA-N 2 2 265.357 0.439 20 0 CCADLP COCc1ccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653068659 412207472 /nfs/dbraw/zinc/20/74/72/412207472.db2.gz LSHOMSRYGHPKKM-CQSZACIVSA-N 2 2 279.384 0.728 20 0 CCADLP COc1ccccc1N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653072140 412208334 /nfs/dbraw/zinc/20/83/34/412208334.db2.gz FSVCWMRYEKEENF-LLVKDONJSA-N 2 2 265.357 0.937 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000652926549 412166771 /nfs/dbraw/zinc/16/67/71/412166771.db2.gz CUOBOMFPDRWUJU-UHFFFAOYSA-N 2 2 294.399 0.761 20 0 CCADLP COCC[N@H+]1CCN(C(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000652926549 412166774 /nfs/dbraw/zinc/16/67/74/412166774.db2.gz CUOBOMFPDRWUJU-UHFFFAOYSA-N 2 2 294.399 0.761 20 0 CCADLP CN(CC[NH+]1CCCCC1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653274780 412276347 /nfs/dbraw/zinc/27/63/47/412276347.db2.gz OJKHQPACAMMDLP-CYBMUJFWSA-N 3 2 270.421 0.210 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H](O)CC(C)(C)C ZINC000653092682 412215919 /nfs/dbraw/zinc/21/59/19/412215919.db2.gz IFRYIYOCPPQEAA-MNOVXSKESA-N 2 2 259.394 0.179 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C[C@H](C(F)(F)F)O1 ZINC000653097346 412216721 /nfs/dbraw/zinc/21/67/21/412216721.db2.gz KJOYZZCBUCXMIO-KXUCPTDWSA-N 2 2 297.321 0.444 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000653096668 412216767 /nfs/dbraw/zinc/21/67/67/412216767.db2.gz SESDWJGOCHHCOE-XQHKEYJVSA-N 2 2 283.416 0.585 20 0 CCADLP CCC(CC)(CCO)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653102181 412218468 /nfs/dbraw/zinc/21/84/68/412218468.db2.gz QEWLKBUYUWNJFH-LBPRGKRZSA-N 2 2 273.421 0.570 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CCS1 ZINC000653101702 412219099 /nfs/dbraw/zinc/21/90/99/412219099.db2.gz DINXDOKFCOYJJJ-NEPJUHHUSA-N 2 2 273.446 0.865 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000653105349 412220060 /nfs/dbraw/zinc/22/00/60/412220060.db2.gz QYAFXJCKRBLANL-VXGBXAGGSA-N 3 2 298.456 0.746 20 0 CCADLP CCC1(CC)[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C[C@H]1OC ZINC000653104733 412220872 /nfs/dbraw/zinc/22/08/72/412220872.db2.gz SFKFFZREZVDSBF-YNEHKIRRSA-N 2 2 285.432 0.975 20 0 CCADLP C[C@H]1CCC[N@H+](CCNC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653109921 412221395 /nfs/dbraw/zinc/22/13/95/412221395.db2.gz RHLKCSVMGOWPPX-QWHCGFSZSA-N 3 2 270.421 0.114 20 0 CCADLP C[C@H]1CCC[N@@H+](CCNC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653109921 412221398 /nfs/dbraw/zinc/22/13/98/412221398.db2.gz RHLKCSVMGOWPPX-QWHCGFSZSA-N 3 2 270.421 0.114 20 0 CCADLP C[C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)N(C)c1ccccc1 ZINC000653109457 412222415 /nfs/dbraw/zinc/22/24/15/412222415.db2.gz BUTRKWRZIYFFAT-HIFRSBDPSA-N 2 2 292.427 0.907 20 0 CCADLP O=C(N1CCC[C@H](c2[nH]cc[nH+]2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653111468 412224496 /nfs/dbraw/zinc/22/44/96/412224496.db2.gz OXFBDIHSXVWRMI-HUBLWGQQSA-N 2 2 290.367 0.352 20 0 CCADLP O=C([C@@H]1CCC[NH2+]CC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000653111986 412224690 /nfs/dbraw/zinc/22/46/90/412224690.db2.gz IFWPYEZEYQQHGO-HUUCEWRRSA-N 2 2 295.427 0.699 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[NH2+]CC2)CCO1 ZINC000653114369 412226524 /nfs/dbraw/zinc/22/65/24/412226524.db2.gz FXSYEMJOXXJWGN-QWHCGFSZSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[NH2+]CC2)CCO1 ZINC000653114369 412226528 /nfs/dbraw/zinc/22/65/28/412226528.db2.gz FXSYEMJOXXJWGN-QWHCGFSZSA-N 2 2 269.389 0.213 20 0 CCADLP Cc1csc([C@@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C)n1 ZINC000653116438 412227345 /nfs/dbraw/zinc/22/73/45/412227345.db2.gz GWMSORZHCKRCQK-ZJUUUORDSA-N 2 2 270.402 0.908 20 0 CCADLP Cc1cn2cc(NC(=O)[C@@H](N)CC[NH+](C)C)ccc2[nH+]1 ZINC000653116799 412227657 /nfs/dbraw/zinc/22/76/57/412227657.db2.gz UJLDCQXTEDPVRU-LBPRGKRZSA-N 2 2 275.356 0.860 20 0 CCADLP Cc1cn2cc(NC(=O)[C@H](N)CC[NH+](C)C)ccc2[nH+]1 ZINC000653116798 412228517 /nfs/dbraw/zinc/22/85/17/412228517.db2.gz UJLDCQXTEDPVRU-GFCCVEGCSA-N 2 2 275.356 0.860 20 0 CCADLP COc1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)nc1 ZINC000653121941 412230677 /nfs/dbraw/zinc/23/06/77/412230677.db2.gz HDNCYRWIWAJQLO-SNVBAGLBSA-N 2 2 252.318 0.308 20 0 CCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H](C)C1 ZINC000653122413 412232389 /nfs/dbraw/zinc/23/23/89/412232389.db2.gz WIJQAHJHFZDTRW-MCIONIFRSA-N 3 2 284.448 0.454 20 0 CCADLP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H](C)C1 ZINC000653122413 412232393 /nfs/dbraw/zinc/23/23/93/412232393.db2.gz WIJQAHJHFZDTRW-MCIONIFRSA-N 3 2 284.448 0.454 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000653130044 412234888 /nfs/dbraw/zinc/23/48/88/412234888.db2.gz SHSGTVUGARNAOG-MRXNPFEDSA-N 2 2 288.395 0.974 20 0 CCADLP [NH3+]CC(F)(F)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653131024 412235028 /nfs/dbraw/zinc/23/50/28/412235028.db2.gz UHNVUUWLMXEGEM-UHFFFAOYSA-N 2 2 272.299 0.472 20 0 CCADLP C[C@H](CC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)n1cc[nH+]c1 ZINC000653142168 412239163 /nfs/dbraw/zinc/23/91/63/412239163.db2.gz BHMDTWJOQPJFQT-VWYCJHECSA-N 2 2 254.309 0.650 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000653141334 412239561 /nfs/dbraw/zinc/23/95/61/412239561.db2.gz CDUFJUFUXCYSRP-JHJVBQTASA-N 3 2 270.421 0.147 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1ccc2c(c1)CCCN2 ZINC000653144336 412240789 /nfs/dbraw/zinc/24/07/89/412240789.db2.gz OZPHYRLKANWFLN-AWEZNQCLSA-N 2 2 290.411 0.940 20 0 CCADLP Cc1cc(N)cc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000653146347 412241128 /nfs/dbraw/zinc/24/11/28/412241128.db2.gz KLHKWVKWKDSCSM-CYBMUJFWSA-N 2 2 264.373 0.472 20 0 CCADLP CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653148835 412241593 /nfs/dbraw/zinc/24/15/93/412241593.db2.gz MXHYWJCPSCMSFT-OAHLLOKOSA-N 3 2 298.475 0.988 20 0 CCADLP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653148835 412241597 /nfs/dbraw/zinc/24/15/97/412241597.db2.gz MXHYWJCPSCMSFT-OAHLLOKOSA-N 3 2 298.475 0.988 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc2c[nH]nc2c1 ZINC000653147952 412241690 /nfs/dbraw/zinc/24/16/90/412241690.db2.gz HYSYWZWBVPYYIW-LLVKDONJSA-N 2 2 261.329 0.780 20 0 CCADLP CN(C)c1cccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)n1 ZINC000653150812 412243502 /nfs/dbraw/zinc/24/35/02/412243502.db2.gz PVDYTJNBUIPNKF-SNVBAGLBSA-N 2 2 265.361 0.365 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CCO1 ZINC000653150608 412243769 /nfs/dbraw/zinc/24/37/69/412243769.db2.gz HAKIAUCOTYBUFD-VXGBXAGGSA-N 2 2 257.378 0.149 20 0 CCADLP CO[C@H]1C[C@@H](CN(C)C(=O)CCc2[nH]cc[nH+]2)[N@H+](C)C1 ZINC000284879375 196149274 /nfs/dbraw/zinc/14/92/74/196149274.db2.gz FRLWVPUTMOCTAH-RYUDHWBXSA-N 2 2 280.372 0.520 20 0 CCADLP CO[C@H]1C[C@@H](CN(C)C(=O)CCc2[nH]cc[nH+]2)[N@@H+](C)C1 ZINC000284879375 196149275 /nfs/dbraw/zinc/14/92/75/196149275.db2.gz FRLWVPUTMOCTAH-RYUDHWBXSA-N 2 2 280.372 0.520 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCOCC1CCC1 ZINC000653167241 412249210 /nfs/dbraw/zinc/24/92/10/412249210.db2.gz NFPPLYCPTKOSDI-GFCCVEGCSA-N 2 2 257.378 0.198 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CC12CCSCC2 ZINC000653165488 412249375 /nfs/dbraw/zinc/24/93/75/412249375.db2.gz PFECTYUJUUXENN-NWDGAFQWSA-N 2 2 285.457 0.915 20 0 CCADLP C[C@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)CC(F)F ZINC000653167432 412249438 /nfs/dbraw/zinc/24/94/38/412249438.db2.gz UWNNSHOPCIBSOC-DTWKUNHWSA-N 2 2 251.321 0.673 20 0 CCADLP C[C@@H]1C[C@H](C)N(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C[C@H]1C[NH3+] ZINC000653165605 412249823 /nfs/dbraw/zinc/24/98/23/412249823.db2.gz WWFPTZJEEANPPH-XQHKEYJVSA-N 3 2 270.421 0.097 20 0 CCADLP CC[N@H+](C[C@H](O)C[NH+](C)CCOC)C[C@@H]1CCOC1 ZINC000653497975 412308142 /nfs/dbraw/zinc/30/81/42/412308142.db2.gz BQPUZODCTGAACH-UONOGXRCSA-N 2 2 274.405 0.284 20 0 CCADLP CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C[C@@H]1CCOC1 ZINC000653497975 412308144 /nfs/dbraw/zinc/30/81/44/412308144.db2.gz BQPUZODCTGAACH-UONOGXRCSA-N 2 2 274.405 0.284 20 0 CCADLP CC[NH+](C[C@H](O)C[N@H+](C)CCOC)C[C@@H]1CCOC1 ZINC000653497975 412308146 /nfs/dbraw/zinc/30/81/46/412308146.db2.gz BQPUZODCTGAACH-UONOGXRCSA-N 2 2 274.405 0.284 20 0 CCADLP CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C[C@@H]1CCOC1 ZINC000653497975 412308147 /nfs/dbraw/zinc/30/81/47/412308147.db2.gz BQPUZODCTGAACH-UONOGXRCSA-N 2 2 274.405 0.284 20 0 CCADLP CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C[C@H]1CCOC1 ZINC000653497974 412308802 /nfs/dbraw/zinc/30/88/02/412308802.db2.gz BQPUZODCTGAACH-KGLIPLIRSA-N 2 2 274.405 0.284 20 0 CCADLP CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C[C@H]1CCOC1 ZINC000653497974 412308804 /nfs/dbraw/zinc/30/88/04/412308804.db2.gz BQPUZODCTGAACH-KGLIPLIRSA-N 2 2 274.405 0.284 20 0 CCADLP CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C[C@H]1CCOC1 ZINC000653497974 412308807 /nfs/dbraw/zinc/30/88/07/412308807.db2.gz BQPUZODCTGAACH-KGLIPLIRSA-N 2 2 274.405 0.284 20 0 CCADLP CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C[C@H]1CCOC1 ZINC000653497974 412308810 /nfs/dbraw/zinc/30/88/10/412308810.db2.gz BQPUZODCTGAACH-KGLIPLIRSA-N 2 2 274.405 0.284 20 0 CCADLP CC(C)[C@@H]1C(=O)NCC[N@H+]1CCCc1c[nH+]cn1C ZINC000653554745 412318158 /nfs/dbraw/zinc/31/81/58/412318158.db2.gz UPCXBEAHRXKJBK-CYBMUJFWSA-N 2 2 264.373 0.809 20 0 CCADLP CC(C)[C@@H]1C(=O)NCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000653554745 412318161 /nfs/dbraw/zinc/31/81/61/412318161.db2.gz UPCXBEAHRXKJBK-CYBMUJFWSA-N 2 2 264.373 0.809 20 0 CCADLP O=C(CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1)NC1CCCC1 ZINC000653646360 412329073 /nfs/dbraw/zinc/32/90/73/412329073.db2.gz JFYYXQXZTAALPP-UHFFFAOYSA-N 2 2 291.399 0.981 20 0 CCADLP C[C@](O)(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)C(F)(F)F ZINC000653644836 412329735 /nfs/dbraw/zinc/32/97/35/412329735.db2.gz SFQNKMHHWBDTKM-JTQLQIEISA-N 2 2 278.278 0.845 20 0 CCADLP C[C@H](CO)C[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000653689609 412336458 /nfs/dbraw/zinc/33/64/58/412336458.db2.gz COKYKUZIICVUDD-STQMWFEESA-N 2 2 256.390 0.800 20 0 CCADLP C[C@H](CO)C[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000653689609 412336460 /nfs/dbraw/zinc/33/64/60/412336460.db2.gz COKYKUZIICVUDD-STQMWFEESA-N 2 2 256.390 0.800 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)OCC12CCC2 ZINC000653778916 412347329 /nfs/dbraw/zinc/34/73/29/412347329.db2.gz INJJSAZWRNTVLW-KGLIPLIRSA-N 2 2 286.416 0.569 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)OCC12CCC2 ZINC000653778916 412347331 /nfs/dbraw/zinc/34/73/31/412347331.db2.gz INJJSAZWRNTVLW-KGLIPLIRSA-N 2 2 286.416 0.569 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)OCC12CCC2 ZINC000653778916 412347332 /nfs/dbraw/zinc/34/73/32/412347332.db2.gz INJJSAZWRNTVLW-KGLIPLIRSA-N 2 2 286.416 0.569 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)OCC12CCC2 ZINC000653778916 412347336 /nfs/dbraw/zinc/34/73/36/412347336.db2.gz INJJSAZWRNTVLW-KGLIPLIRSA-N 2 2 286.416 0.569 20 0 CCADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654060110 412369769 /nfs/dbraw/zinc/36/97/69/412369769.db2.gz DWDGKGAUNBJEKQ-MCIONIFRSA-N 2 2 294.399 0.887 20 0 CCADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654060110 412369771 /nfs/dbraw/zinc/36/97/71/412369771.db2.gz DWDGKGAUNBJEKQ-MCIONIFRSA-N 2 2 294.399 0.887 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000654745202 412436382 /nfs/dbraw/zinc/43/63/82/412436382.db2.gz ONNDMIVAFHMULO-NWDGAFQWSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000654745202 412436385 /nfs/dbraw/zinc/43/63/85/412436385.db2.gz ONNDMIVAFHMULO-NWDGAFQWSA-N 2 2 280.372 0.113 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000659469020 413524050 /nfs/dbraw/zinc/52/40/50/413524050.db2.gz FZYOJKZWHKTQNB-SNVBAGLBSA-N 2 2 261.329 0.741 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)N[C@H](C)C[NH2+]C ZINC000659501389 413555385 /nfs/dbraw/zinc/55/53/85/413555385.db2.gz LVNXENUJENJVQI-NXEZZACHSA-N 2 2 253.350 0.871 20 0 CCADLP CO[C@H]1C[C@@H](CN(C)C(=O)Cn2cc[nH+]c2)[N@H+](C)C1 ZINC000285091516 196195563 /nfs/dbraw/zinc/19/55/63/196195563.db2.gz SQARZCXELXMYGO-RYUDHWBXSA-N 2 2 266.345 0.061 20 0 CCADLP CO[C@H]1C[C@@H](CN(C)C(=O)Cn2cc[nH+]c2)[N@@H+](C)C1 ZINC000285091516 196195565 /nfs/dbraw/zinc/19/55/65/196195565.db2.gz SQARZCXELXMYGO-RYUDHWBXSA-N 2 2 266.345 0.061 20 0 CCADLP C[C@@H](NC(=O)NCC[C@H]1CC[NH2+]C1)c1[nH+]ccn1C ZINC000659514805 413579318 /nfs/dbraw/zinc/57/93/18/413579318.db2.gz VDCJWXFTIXBDTG-GHMZBOCLSA-N 2 2 265.361 0.780 20 0 CCADLP C[C@@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)c1[nH+]ccn1C ZINC000659550507 413641779 /nfs/dbraw/zinc/64/17/79/413641779.db2.gz QSCRMQGFUPVUPG-SFYZADRCSA-N 2 2 275.303 0.763 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000659554071 413647457 /nfs/dbraw/zinc/64/74/57/413647457.db2.gz DFNNXFWBPPEULA-GUBZILKMSA-N 2 2 253.350 0.906 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCC(C)(C)F)[C@@H](C[NH3+])C1 ZINC000659593602 413675217 /nfs/dbraw/zinc/67/52/17/413675217.db2.gz LTRIXRBKEJNUJP-JTQLQIEISA-N 2 2 260.357 0.409 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCC(C)(C)F)[C@@H](C[NH3+])C1 ZINC000659593602 413675220 /nfs/dbraw/zinc/67/52/20/413675220.db2.gz LTRIXRBKEJNUJP-JTQLQIEISA-N 2 2 260.357 0.409 20 0 CCADLP CC[C@@H](C)CCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000659563833 413658840 /nfs/dbraw/zinc/65/88/40/413658840.db2.gz PWISCWPMVRPZJH-NEPJUHHUSA-N 2 2 256.394 0.707 20 0 CCADLP CC[C@@H](C)CCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000659563833 413658851 /nfs/dbraw/zinc/65/88/51/413658851.db2.gz PWISCWPMVRPZJH-NEPJUHHUSA-N 2 2 256.394 0.707 20 0 CCADLP C[C@H](CC[NH3+])NC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000659531266 413611162 /nfs/dbraw/zinc/61/11/62/413611162.db2.gz ZTIKTEIMJHCURN-CYBMUJFWSA-N 2 2 298.431 0.478 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000659638595 413742645 /nfs/dbraw/zinc/74/26/45/413742645.db2.gz TZPUIHYPUYSYPA-LLVKDONJSA-N 2 2 253.350 0.523 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659617335 413710078 /nfs/dbraw/zinc/71/00/78/413710078.db2.gz PILPIIFTLSJKAU-UHFFFAOYSA-N 2 2 277.372 0.667 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000659644917 413750970 /nfs/dbraw/zinc/75/09/70/413750970.db2.gz HWGXBIHNXWCGMV-LLVKDONJSA-N 2 2 265.361 0.838 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000659644918 413751091 /nfs/dbraw/zinc/75/10/91/413751091.db2.gz HWGXBIHNXWCGMV-NSHDSACASA-N 2 2 265.361 0.838 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+](C[C@@H]3CNC(=O)C3)CC2)c1 ZINC000659880934 413939775 /nfs/dbraw/zinc/93/97/75/413939775.db2.gz CKWHVKDWMNFNLN-LBPRGKRZSA-N 2 2 290.367 0.348 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](Cc2cccc(N)c2)CC1 ZINC000659837759 413906045 /nfs/dbraw/zinc/90/60/45/413906045.db2.gz IDZBEOZFHDOPKV-UHFFFAOYSA-N 2 2 276.384 0.475 20 0 CCADLP CCN1OC[C@@H]([N@@H+]2CC[C@H](OCC[NH+](CC)CC)C2)C1=O ZINC000659980138 414016590 /nfs/dbraw/zinc/01/65/90/414016590.db2.gz RPOVLIWENKRFOD-UONOGXRCSA-N 2 2 299.415 0.581 20 0 CCADLP CCN1OC[C@@H]([N@H+]2CC[C@H](OCC[NH+](CC)CC)C2)C1=O ZINC000659980138 414016597 /nfs/dbraw/zinc/01/65/97/414016597.db2.gz RPOVLIWENKRFOD-UONOGXRCSA-N 2 2 299.415 0.581 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000659917547 413967533 /nfs/dbraw/zinc/96/75/33/413967533.db2.gz AWNQMUFYYMEITF-CABCVRRESA-N 2 2 297.443 0.774 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000659917547 413967539 /nfs/dbraw/zinc/96/75/39/413967539.db2.gz AWNQMUFYYMEITF-CABCVRRESA-N 2 2 297.443 0.774 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000659917547 413967544 /nfs/dbraw/zinc/96/75/44/413967544.db2.gz AWNQMUFYYMEITF-CABCVRRESA-N 2 2 297.443 0.774 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000659917547 413967546 /nfs/dbraw/zinc/96/75/46/413967546.db2.gz AWNQMUFYYMEITF-CABCVRRESA-N 2 2 297.443 0.774 20 0 CCADLP [NH3+]CCC[NH+]1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000037037752 172904685 /nfs/dbraw/zinc/90/46/85/172904685.db2.gz BHYAYTPMFSKOON-UHFFFAOYSA-N 2 2 263.341 0.499 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](N2CCNC2=O)C1 ZINC000659925677 413971394 /nfs/dbraw/zinc/97/13/94/413971394.db2.gz JCWOSNCLFDHGDE-KBPBESRZSA-N 2 2 298.431 0.177 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](N2CCNC2=O)C1 ZINC000659925677 413971401 /nfs/dbraw/zinc/97/14/01/413971401.db2.gz JCWOSNCLFDHGDE-KBPBESRZSA-N 2 2 298.431 0.177 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000659925677 413971410 /nfs/dbraw/zinc/97/14/10/413971410.db2.gz JCWOSNCLFDHGDE-KBPBESRZSA-N 2 2 298.431 0.177 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000659925677 413971422 /nfs/dbraw/zinc/97/14/22/413971422.db2.gz JCWOSNCLFDHGDE-KBPBESRZSA-N 2 2 298.431 0.177 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]CC2CCCCC2)CC1 ZINC000037249793 173061961 /nfs/dbraw/zinc/06/19/61/173061961.db2.gz ZZXLXVLAZUMNHF-UHFFFAOYSA-N 2 2 253.390 0.930 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)CN1CC[C@H](c2[nH+]ccn2C)C1 ZINC000660127541 414135971 /nfs/dbraw/zinc/13/59/71/414135971.db2.gz BGKKCWVDCCWUBR-UONOGXRCSA-N 2 2 280.416 0.911 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[C@H](c2[nH+]ccn2C)C1 ZINC000660127541 414135983 /nfs/dbraw/zinc/13/59/83/414135983.db2.gz BGKKCWVDCCWUBR-UONOGXRCSA-N 2 2 280.416 0.911 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2nccn2C)C1 ZINC000660127541 414135990 /nfs/dbraw/zinc/13/59/90/414135990.db2.gz BGKKCWVDCCWUBR-UONOGXRCSA-N 2 2 280.416 0.911 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2nccn2C)C1 ZINC000660127541 414135998 /nfs/dbraw/zinc/13/59/98/414135998.db2.gz BGKKCWVDCCWUBR-UONOGXRCSA-N 2 2 280.416 0.911 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000660127541 414136006 /nfs/dbraw/zinc/13/60/06/414136006.db2.gz BGKKCWVDCCWUBR-UONOGXRCSA-N 2 2 280.416 0.911 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000660127541 414136015 /nfs/dbraw/zinc/13/60/15/414136015.db2.gz BGKKCWVDCCWUBR-UONOGXRCSA-N 2 2 280.416 0.911 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)Nc2cnccn2)C1 ZINC000660129283 414138140 /nfs/dbraw/zinc/13/81/40/414138140.db2.gz PORVLXXJXXWGLN-LLVKDONJSA-N 2 2 286.339 0.638 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)Nc2cnccn2)C1 ZINC000660129283 414138143 /nfs/dbraw/zinc/13/81/43/414138143.db2.gz PORVLXXJXXWGLN-LLVKDONJSA-N 2 2 286.339 0.638 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)CN(C)Cc2[nH]cc[nH+]2)CC1 ZINC000660143415 414151421 /nfs/dbraw/zinc/15/14/21/414151421.db2.gz BUATWVZXLLKWRM-UHFFFAOYSA-N 2 2 293.415 0.831 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(Cc2cn(C)c[nH+]2)[C@@H](C)C1 ZINC000660328547 414245570 /nfs/dbraw/zinc/24/55/70/414245570.db2.gz LJQQDKSNXJSMGI-NWDGAFQWSA-N 2 2 252.362 0.307 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(Cc2cn(C)c[nH+]2)[C@@H](C)C1 ZINC000660328547 414245572 /nfs/dbraw/zinc/24/55/72/414245572.db2.gz LJQQDKSNXJSMGI-NWDGAFQWSA-N 2 2 252.362 0.307 20 0 CCADLP C([C@@H]1COCCO1)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660475618 414349821 /nfs/dbraw/zinc/34/98/21/414349821.db2.gz TXLVNCKHQYDJCX-HUUCEWRRSA-N 2 2 284.400 0.589 20 0 CCADLP C([C@@H]1COCCO1)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660475618 414349827 /nfs/dbraw/zinc/34/98/27/414349827.db2.gz TXLVNCKHQYDJCX-HUUCEWRRSA-N 2 2 284.400 0.589 20 0 CCADLP Cc1[nH+]ccn1CCN1CC[N@@H+](CCO)C[C@@H]1C ZINC000660758704 414472688 /nfs/dbraw/zinc/47/26/88/414472688.db2.gz AXHRPJKSOZTFIZ-LBPRGKRZSA-N 2 2 252.362 0.190 20 0 CCADLP Cc1[nH+]ccn1CCN1CC[N@H+](CCO)C[C@@H]1C ZINC000660758704 414472692 /nfs/dbraw/zinc/47/26/92/414472692.db2.gz AXHRPJKSOZTFIZ-LBPRGKRZSA-N 2 2 252.362 0.190 20 0 CCADLP CC(C)C[NH2+]C1(CO)CC[NH+](CCN2CCCC2=O)CC1 ZINC000660693276 414446032 /nfs/dbraw/zinc/44/60/32/414446032.db2.gz DSYSYHAHPDANGE-UHFFFAOYSA-N 2 2 297.443 0.681 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660827435 414492391 /nfs/dbraw/zinc/49/23/91/414492391.db2.gz LGFMFKLOFQGJKR-UHFFFAOYSA-N 2 2 283.376 0.519 20 0 CCADLP COCC[N@@H+](C)CCCNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660827435 414492393 /nfs/dbraw/zinc/49/23/93/414492393.db2.gz LGFMFKLOFQGJKR-UHFFFAOYSA-N 2 2 283.376 0.519 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660827435 414492395 /nfs/dbraw/zinc/49/23/95/414492395.db2.gz LGFMFKLOFQGJKR-UHFFFAOYSA-N 2 2 283.376 0.519 20 0 CCADLP CCN1CC[C@@H]([N@@H+]2CCOC3(CC[NH+](C)CC3)C2)C1=O ZINC000660903694 414524442 /nfs/dbraw/zinc/52/44/42/414524442.db2.gz JXJGFVSISWRPDM-CYBMUJFWSA-N 2 2 281.400 0.404 20 0 CCADLP CCN1CC[C@@H]([N@H+]2CCOC3(CC[NH+](C)CC3)C2)C1=O ZINC000660903694 414524447 /nfs/dbraw/zinc/52/44/47/414524447.db2.gz JXJGFVSISWRPDM-CYBMUJFWSA-N 2 2 281.400 0.404 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000661205606 414577556 /nfs/dbraw/zinc/57/75/56/414577556.db2.gz ZSCICWGXRVHPMY-NSHDSACASA-N 2 2 277.372 0.470 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000661205606 414577561 /nfs/dbraw/zinc/57/75/61/414577561.db2.gz ZSCICWGXRVHPMY-NSHDSACASA-N 2 2 277.372 0.470 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CC2=CCCOC2)CC1 ZINC000661656664 414661050 /nfs/dbraw/zinc/66/10/50/414661050.db2.gz HNQXAPOEXFGBPF-AWEZNQCLSA-N 2 2 295.427 0.818 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CC2=CCCOC2)CC1 ZINC000661656664 414661053 /nfs/dbraw/zinc/66/10/53/414661053.db2.gz HNQXAPOEXFGBPF-AWEZNQCLSA-N 2 2 295.427 0.818 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2cn(C)nn2)CC1 ZINC000661746211 414671446 /nfs/dbraw/zinc/67/14/46/414671446.db2.gz XHHYCTBHQYHMRJ-UHFFFAOYSA-N 2 2 294.447 0.663 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@@H+](C)Cc2cn(C)nn2)CC1 ZINC000661746211 414671449 /nfs/dbraw/zinc/67/14/49/414671449.db2.gz XHHYCTBHQYHMRJ-UHFFFAOYSA-N 2 2 294.447 0.663 20 0 CCADLP CCOCCN1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662259992 414701193 /nfs/dbraw/zinc/70/11/93/414701193.db2.gz DPFHSJZPPKLQQV-CQSZACIVSA-N 2 2 283.416 0.162 20 0 CCADLP c1ccc(C[NH+]2CCN(C[C@H]3C[NH2+]CCO3)CC2)nc1 ZINC000662263528 414702788 /nfs/dbraw/zinc/70/27/88/414702788.db2.gz MSHSJIUDBFAYMN-OAHLLOKOSA-N 2 2 276.384 0.188 20 0 CCADLP C[C@@H]1CCCC[C@H]1NC(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662285520 414706021 /nfs/dbraw/zinc/70/60/21/414706021.db2.gz COAKHCNPOFBUJC-CHWSQXEVSA-N 2 2 283.416 0.385 20 0 CCADLP CC(C)(C)n1cc(C[NH2+]C2(CO)CC[NH2+]CC2)cn1 ZINC000662285019 414706146 /nfs/dbraw/zinc/70/61/46/414706146.db2.gz UKHSVFPGPLEQHQ-UHFFFAOYSA-N 2 2 266.389 0.842 20 0 CCADLP Cn1nccc1[C@H]1CCCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662284680 414706266 /nfs/dbraw/zinc/70/62/66/414706266.db2.gz ZIIXEBRPANJJTA-TZMCWYRMSA-N 2 2 264.373 0.936 20 0 CCADLP CCCN(CCC)C(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662285344 414706456 /nfs/dbraw/zinc/70/64/56/414706456.db2.gz BWUNUFLUQFWTMW-UHFFFAOYSA-N 2 2 271.405 0.339 20 0 CCADLP Cn1nccc1[C@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662284663 414706463 /nfs/dbraw/zinc/70/64/63/414706463.db2.gz ZIIXEBRPANJJTA-GXTWGEPZSA-N 2 2 264.373 0.936 20 0 CCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)N(C1CC1)C1CCCC1 ZINC000662285978 414706933 /nfs/dbraw/zinc/70/69/33/414706933.db2.gz DCMLHKSJZKFKAZ-UHFFFAOYSA-N 2 2 295.427 0.624 20 0 CCADLP [NH3+]CC[N@H+](CCCOc1ccccc1)C[C@H](O)CO ZINC000662289469 414707247 /nfs/dbraw/zinc/70/72/47/414707247.db2.gz SDVLDGLGBOQUAI-ZDUSSCGKSA-N 2 2 268.357 0.069 20 0 CCADLP [NH3+]CC[N@@H+](CCCOc1ccccc1)C[C@H](O)CO ZINC000662289469 414707248 /nfs/dbraw/zinc/70/72/48/414707248.db2.gz SDVLDGLGBOQUAI-ZDUSSCGKSA-N 2 2 268.357 0.069 20 0 CCADLP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2C[NH2+]CCO2)cn1 ZINC000662310657 414708680 /nfs/dbraw/zinc/70/86/80/414708680.db2.gz MAAGVPMKEQYSOS-KKUMJFAQSA-N 2 2 278.400 0.709 20 0 CCADLP C[C@@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)[C@H](C[NH3+])C1 ZINC000662314998 414708716 /nfs/dbraw/zinc/70/87/16/414708716.db2.gz JEDNNXIXESDZOM-FRRDWIJNSA-N 3 2 253.390 0.567 20 0 CCADLP C[C@@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)[C@H](C[NH3+])C1 ZINC000662314998 414708717 /nfs/dbraw/zinc/70/87/17/414708717.db2.gz JEDNNXIXESDZOM-FRRDWIJNSA-N 3 2 253.390 0.567 20 0 CCADLP CN(C)C(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662316105 414708984 /nfs/dbraw/zinc/70/89/84/414708984.db2.gz IJAUFHROKKBEOE-GFCCVEGCSA-N 2 2 257.378 0.117 20 0 CCADLP CN(C)C(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662316105 414708985 /nfs/dbraw/zinc/70/89/85/414708985.db2.gz IJAUFHROKKBEOE-GFCCVEGCSA-N 2 2 257.378 0.117 20 0 CCADLP [NH3+][C@@H]1C[N@H+](CCC(=O)Nc2cccnc2)CC[C@H]1F ZINC000662321306 414709324 /nfs/dbraw/zinc/70/93/24/414709324.db2.gz BBOJKCAFHDLERB-VXGBXAGGSA-N 2 2 266.320 0.781 20 0 CCADLP [NH3+][C@@H]1C[N@@H+](CCC(=O)Nc2cccnc2)CC[C@H]1F ZINC000662321306 414709325 /nfs/dbraw/zinc/70/93/25/414709325.db2.gz BBOJKCAFHDLERB-VXGBXAGGSA-N 2 2 266.320 0.781 20 0 CCADLP C[NH+](C)CCC[C@@H]1CN(CC[NH+]2CCOCC2)CCO1 ZINC000662320813 414709411 /nfs/dbraw/zinc/70/94/11/414709411.db2.gz DUAJYMXIHAURKB-OAHLLOKOSA-N 2 2 285.432 0.361 20 0 CCADLP CC(C)CNC(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662317934 414709507 /nfs/dbraw/zinc/70/95/07/414709507.db2.gz UISNXTCXZGYUND-CQSZACIVSA-N 2 2 285.432 0.801 20 0 CCADLP CC(C)CNC(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662317934 414709508 /nfs/dbraw/zinc/70/95/08/414709508.db2.gz UISNXTCXZGYUND-CQSZACIVSA-N 2 2 285.432 0.801 20 0 CCADLP CN(CC1CC1)C(=O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319834 414709601 /nfs/dbraw/zinc/70/96/01/414709601.db2.gz NPDQWIJYYPLQHU-HNNXBMFYSA-N 2 2 297.443 0.897 20 0 CCADLP CN(CC1CC1)C(=O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319834 414709602 /nfs/dbraw/zinc/70/96/02/414709602.db2.gz NPDQWIJYYPLQHU-HNNXBMFYSA-N 2 2 297.443 0.897 20 0 CCADLP C[NH+](C)CCC[C@H]1CN(CCC[NH+]2CCOCC2)CCO1 ZINC000662322564 414709746 /nfs/dbraw/zinc/70/97/46/414709746.db2.gz VMZXARBAWLXVOB-INIZCTEOSA-N 2 2 299.459 0.751 20 0 CCADLP C[C@H]1C[N@H+](CCN2CCO[C@@H](CCC[NH+](C)C)C2)CCO1 ZINC000662323988 414709923 /nfs/dbraw/zinc/70/99/23/414709923.db2.gz RTXLOGLSILBBNR-HOTGVXAUSA-N 2 2 299.459 0.750 20 0 CCADLP C[C@H]1C[N@@H+](CCN2CCO[C@@H](CCC[NH+](C)C)C2)CCO1 ZINC000662323988 414709924 /nfs/dbraw/zinc/70/99/24/414709924.db2.gz RTXLOGLSILBBNR-HOTGVXAUSA-N 2 2 299.459 0.750 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H](C)[C@](C)(CO)C2)CC1 ZINC000662137457 414692439 /nfs/dbraw/zinc/69/24/39/414692439.db2.gz UEVINFMVCRDZHJ-DZKIICNBSA-N 2 2 297.443 0.489 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@H](C)[C@](C)(CO)C2)CC1 ZINC000662137457 414692440 /nfs/dbraw/zinc/69/24/40/414692440.db2.gz UEVINFMVCRDZHJ-DZKIICNBSA-N 2 2 297.443 0.489 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000662344001 414711113 /nfs/dbraw/zinc/71/11/13/414711113.db2.gz OHXKNZDPBWFUTQ-LBPRGKRZSA-N 2 2 262.357 0.728 20 0 CCADLP Cc1noc([C@@H]2CCC[N@H+](C[C@H]3C[NH2+]CCO3)C2)n1 ZINC000662252744 414699573 /nfs/dbraw/zinc/69/95/73/414699573.db2.gz NYCBLYUQZAEGTN-VXGBXAGGSA-N 2 2 266.345 0.546 20 0 CCADLP Cc1noc([C@@H]2CCC[N@@H+](C[C@H]3C[NH2+]CCO3)C2)n1 ZINC000662252744 414699574 /nfs/dbraw/zinc/69/95/74/414699574.db2.gz NYCBLYUQZAEGTN-VXGBXAGGSA-N 2 2 266.345 0.546 20 0 CCADLP COc1ccc([C@H](CO)[N@H+](C)C[C@@H]2C[NH2+]CCO2)cc1 ZINC000662254119 414699797 /nfs/dbraw/zinc/69/97/97/414699797.db2.gz FVHPTOWIIBHPPU-GJZGRUSLSA-N 2 2 280.368 0.649 20 0 CCADLP COc1ccc([C@H](CO)[N@@H+](C)C[C@@H]2C[NH2+]CCO2)cc1 ZINC000662254119 414699798 /nfs/dbraw/zinc/69/97/98/414699798.db2.gz FVHPTOWIIBHPPU-GJZGRUSLSA-N 2 2 280.368 0.649 20 0 CCADLP O=C(CC1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1)N1CCCC1 ZINC000662253444 414700087 /nfs/dbraw/zinc/70/00/87/414700087.db2.gz VYTLKLYEGJQNLJ-OAHLLOKOSA-N 2 2 295.427 0.699 20 0 CCADLP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000662418176 414716434 /nfs/dbraw/zinc/71/64/34/414716434.db2.gz QZNPMAIWTZNCOF-LBPRGKRZSA-N 2 2 255.362 0.045 20 0 CCADLP Cc1cc(C)cc(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000662429730 414717717 /nfs/dbraw/zinc/71/77/17/414717717.db2.gz SGVDKDXMKFFVQP-OAHLLOKOSA-N 2 2 275.396 0.947 20 0 CCADLP Cc1cc(C)cc(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000662429730 414717718 /nfs/dbraw/zinc/71/77/18/414717718.db2.gz SGVDKDXMKFFVQP-OAHLLOKOSA-N 2 2 275.396 0.947 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000662526363 414725568 /nfs/dbraw/zinc/72/55/68/414725568.db2.gz DOGXXLOJFQGNDO-CQSZACIVSA-N 2 2 294.399 0.934 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000662586141 414730345 /nfs/dbraw/zinc/73/03/45/414730345.db2.gz OYXFPEIUDVOLLX-VIFPVBQESA-N 2 2 254.359 0.463 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000662586141 414730346 /nfs/dbraw/zinc/73/03/46/414730346.db2.gz OYXFPEIUDVOLLX-VIFPVBQESA-N 2 2 254.359 0.463 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1csc(C[NH3+])n1 ZINC000662629471 414734359 /nfs/dbraw/zinc/73/43/59/414734359.db2.gz GDKNGPFHTSHQPB-ZJUUUORDSA-N 2 2 298.412 0.441 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1csc(C[NH3+])n1 ZINC000662629471 414734360 /nfs/dbraw/zinc/73/43/60/414734360.db2.gz GDKNGPFHTSHQPB-ZJUUUORDSA-N 2 2 298.412 0.441 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000662632866 414735557 /nfs/dbraw/zinc/73/55/57/414735557.db2.gz VEQXMDRITJLMAV-HOCLYGCPSA-N 3 2 298.475 0.894 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000662632866 414735558 /nfs/dbraw/zinc/73/55/58/414735558.db2.gz VEQXMDRITJLMAV-HOCLYGCPSA-N 3 2 298.475 0.894 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)CC[NH2+]C2CC2)[C@@H](C)CO1 ZINC000662634395 414735654 /nfs/dbraw/zinc/73/56/54/414735654.db2.gz RPWOQHRZCMBMMW-NWDGAFQWSA-N 2 2 269.389 0.354 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)CC[NH2+]C2CC2)[C@@H](C)CO1 ZINC000662634395 414735655 /nfs/dbraw/zinc/73/56/55/414735655.db2.gz RPWOQHRZCMBMMW-NWDGAFQWSA-N 2 2 269.389 0.354 20 0 CCADLP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000662682862 414740717 /nfs/dbraw/zinc/74/07/17/414740717.db2.gz JYDQPHKZXCMFST-UGWHAMFMSA-N 2 2 293.411 0.580 20 0 CCADLP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000662682862 414740718 /nfs/dbraw/zinc/74/07/18/414740718.db2.gz JYDQPHKZXCMFST-UGWHAMFMSA-N 2 2 293.411 0.580 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)[C@H]3C[C@H]([NH3+])C3)cn2c1 ZINC000662688383 414741444 /nfs/dbraw/zinc/74/14/44/414741444.db2.gz LOJSUYJSEZFRRQ-XYPYZODXSA-N 2 2 258.325 0.996 20 0 CCADLP [NH3+][C@@H](C(=O)NCC12CC(C1)C[NH2+]2)c1c(F)cccc1F ZINC000662717584 414745897 /nfs/dbraw/zinc/74/58/97/414745897.db2.gz AKMGWQSICIZXOC-YEMQSEFVSA-N 2 2 281.306 0.833 20 0 CCADLP CC[C@@]1(C(=O)NCC[N@H+](C)CCC[NH+](C)C)CCC[NH2+]1 ZINC000662857469 414848937 /nfs/dbraw/zinc/84/89/37/414848937.db2.gz MGMGSFJJOJPATB-HNNXBMFYSA-N 3 2 284.448 0.518 20 0 CCADLP CC[C@@]1(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCC[NH2+]1 ZINC000662857469 414848942 /nfs/dbraw/zinc/84/89/42/414848942.db2.gz MGMGSFJJOJPATB-HNNXBMFYSA-N 3 2 284.448 0.518 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662858533 414849655 /nfs/dbraw/zinc/84/96/55/414849655.db2.gz XWLUWGZBGKDYCM-CYBMUJFWSA-N 3 2 284.448 0.374 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662858533 414849659 /nfs/dbraw/zinc/84/96/59/414849659.db2.gz XWLUWGZBGKDYCM-CYBMUJFWSA-N 3 2 284.448 0.374 20 0 CCADLP CC[C@]1(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)CCC[NH2+]1 ZINC000662857996 414849847 /nfs/dbraw/zinc/84/98/47/414849847.db2.gz DGMDHAWJGPNJMF-VNHYZAJKSA-N 2 2 283.416 0.744 20 0 CCADLP CC[C@]1(C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)CCC[NH2+]1 ZINC000662857996 414849852 /nfs/dbraw/zinc/84/98/52/414849852.db2.gz DGMDHAWJGPNJMF-VNHYZAJKSA-N 2 2 283.416 0.744 20 0 CCADLP C[C@@H](NC(=O)C[NH2+]C[C@H]1CCCO1)c1[nH+]ccn1C ZINC000662935634 414905629 /nfs/dbraw/zinc/90/56/29/414905629.db2.gz WXXJJQWCZCADIE-GHMZBOCLSA-N 2 2 266.345 0.366 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCO[C@@](C)(C(F)F)C1 ZINC000663002834 414943494 /nfs/dbraw/zinc/94/34/94/414943494.db2.gz UHLJCPBQAAYOCI-JOYOIKCWSA-N 2 2 279.331 0.148 20 0 CCADLP C[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])[NH+]1CCN(C)CC1 ZINC000662896943 414877718 /nfs/dbraw/zinc/87/77/18/414877718.db2.gz RAYABNZSIFNFCF-RDBSUJKOSA-N 2 2 282.432 0.208 20 0 CCADLP CN(C(=O)[C@H]1C[C@H]([NH3+])C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899108 414879279 /nfs/dbraw/zinc/87/92/79/414879279.db2.gz BHNDZOIVWWSQNA-UMVBOHGHSA-N 3 2 294.443 0.351 20 0 CCADLP CN(C(=O)[C@H]1C[C@H]([NH3+])C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899108 414879285 /nfs/dbraw/zinc/87/92/85/414879285.db2.gz BHNDZOIVWWSQNA-UMVBOHGHSA-N 3 2 294.443 0.351 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662909270 414885823 /nfs/dbraw/zinc/88/58/23/414885823.db2.gz CCQISGHAGBQYRE-AWEZNQCLSA-N 2 2 283.416 0.541 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCO[C@@](C)(C(F)F)C1 ZINC000663002831 414944234 /nfs/dbraw/zinc/94/42/34/414944234.db2.gz UHLJCPBQAAYOCI-BXKDBHETSA-N 2 2 279.331 0.148 20 0 CCADLP C[C@@H](NC(=O)NCCC[NH+]1CCOCC1)c1[nH+]ccn1C ZINC000663402483 415059230 /nfs/dbraw/zinc/05/92/30/415059230.db2.gz AYTWPKFQHAKGAB-GFCCVEGCSA-N 2 2 295.387 0.503 20 0 CCADLP Cc1cccc2[nH+]cc(CN3CCOC4(C[NH2+]C4)C3)n21 ZINC000663513166 415081885 /nfs/dbraw/zinc/08/18/85/415081885.db2.gz SRPIMIWZDYRFMO-UHFFFAOYSA-N 2 2 272.352 0.817 20 0 CCADLP Cc1cc(CO)cc(N2CC[NH+]([C@H]3CCOC3)CC2)[nH+]1 ZINC000663728203 415121084 /nfs/dbraw/zinc/12/10/84/415121084.db2.gz KLMBQGWQBOSIOB-AWEZNQCLSA-N 2 2 277.368 0.793 20 0 CCADLP C[C@H]1C[C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)CC[N@@H+]1C ZINC000665291455 415585114 /nfs/dbraw/zinc/58/51/14/415585114.db2.gz BYAMQCQKWMOWAO-VHSXEESVSA-N 3 2 265.361 0.213 20 0 CCADLP C[C@H]1C[C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)CC[N@H+]1C ZINC000665291455 415585119 /nfs/dbraw/zinc/58/51/19/415585119.db2.gz BYAMQCQKWMOWAO-VHSXEESVSA-N 3 2 265.361 0.213 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)[C@@H](C)C1 ZINC000665290522 415585819 /nfs/dbraw/zinc/58/58/19/415585819.db2.gz BZTGONRXOHQCHH-JQWIXIFHSA-N 3 2 279.388 0.461 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)[C@@H](C)C1 ZINC000665290522 415585826 /nfs/dbraw/zinc/58/58/26/415585826.db2.gz BZTGONRXOHQCHH-JQWIXIFHSA-N 3 2 279.388 0.461 20 0 CCADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])n1 ZINC000665294568 415591493 /nfs/dbraw/zinc/59/14/93/415591493.db2.gz RDOPSMGHNVYHEA-MNOVXSKESA-N 3 2 265.361 0.391 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC000071146282 176042527 /nfs/dbraw/zinc/04/25/27/176042527.db2.gz YNINQCKJXDSMIZ-GFCCVEGCSA-N 2 2 253.390 0.977 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC000071146282 176042529 /nfs/dbraw/zinc/04/25/29/176042529.db2.gz YNINQCKJXDSMIZ-GFCCVEGCSA-N 2 2 253.390 0.977 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2F)C1 ZINC000071147009 176043326 /nfs/dbraw/zinc/04/33/26/176043326.db2.gz OLEPNJLZRYQUJJ-LBPRGKRZSA-N 2 2 279.359 0.983 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2F)C1 ZINC000071147009 176043327 /nfs/dbraw/zinc/04/33/27/176043327.db2.gz OLEPNJLZRYQUJJ-LBPRGKRZSA-N 2 2 279.359 0.983 20 0 CCADLP C[C@@H]1CC[N@H+](CCNC(=O)[C@H]([NH3+])c2cscn2)C1 ZINC000575185039 335077457 /nfs/dbraw/zinc/07/74/57/335077457.db2.gz KYVZXVPUTVXAMW-MWLCHTKSSA-N 2 2 268.386 0.601 20 0 CCADLP C[C@@H]1CC[N@@H+](CCNC(=O)[C@H]([NH3+])c2cscn2)C1 ZINC000575185039 335077459 /nfs/dbraw/zinc/07/74/59/335077459.db2.gz KYVZXVPUTVXAMW-MWLCHTKSSA-N 2 2 268.386 0.601 20 0 CCADLP C[C@@]1(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CCC[NH2+]1 ZINC000079516476 544473424 /nfs/dbraw/zinc/47/34/24/544473424.db2.gz AXEYVYXNFICEHX-ZFWWWQNUSA-N 2 2 281.400 0.452 20 0 CCADLP O=C(NCc1c[nH+]c[nH]1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000088751059 544510014 /nfs/dbraw/zinc/51/00/14/544510014.db2.gz BIMXCLROGVFVEA-SECBINFHSA-N 2 2 262.235 0.568 20 0 CCADLP O=C(NCc1c[nH]c[nH+]1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000088751059 544510018 /nfs/dbraw/zinc/51/00/18/544510018.db2.gz BIMXCLROGVFVEA-SECBINFHSA-N 2 2 262.235 0.568 20 0 CCADLP C[C@](O)(CO)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000090286753 544520356 /nfs/dbraw/zinc/52/03/56/544520356.db2.gz QHSTVNDRFZFHPL-CQSZACIVSA-N 2 2 261.325 0.705 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111243499 544560684 /nfs/dbraw/zinc/56/06/84/544560684.db2.gz GBEAODGOAKTZQO-LLVKDONJSA-N 2 2 290.289 0.931 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111244114 544560890 /nfs/dbraw/zinc/56/08/90/544560890.db2.gz ZFACDEXFOWSTEV-GXSJLCMTSA-N 2 2 290.289 0.930 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000124924260 544591075 /nfs/dbraw/zinc/59/10/75/544591075.db2.gz DVWXAWKFGIYWHW-STQMWFEESA-N 2 2 289.445 0.484 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000124924260 544591078 /nfs/dbraw/zinc/59/10/78/544591078.db2.gz DVWXAWKFGIYWHW-STQMWFEESA-N 2 2 289.445 0.484 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000124924260 544591080 /nfs/dbraw/zinc/59/10/80/544591080.db2.gz DVWXAWKFGIYWHW-STQMWFEESA-N 2 2 289.445 0.484 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000124924260 544591082 /nfs/dbraw/zinc/59/10/82/544591082.db2.gz DVWXAWKFGIYWHW-STQMWFEESA-N 2 2 289.445 0.484 20 0 CCADLP C[C@@H](NC(=O)N1CC[NH+](C2CC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000152542714 544659813 /nfs/dbraw/zinc/65/98/13/544659813.db2.gz BELTZCWIMDABST-OCCSQVGLSA-N 2 2 296.415 0.195 20 0 CCADLP C[C@@H](NC(=O)N1CC[NH+](C2CC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000152542714 544659816 /nfs/dbraw/zinc/65/98/16/544659816.db2.gz BELTZCWIMDABST-OCCSQVGLSA-N 2 2 296.415 0.195 20 0 CCADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cccc(-n2cnnn2)c1 ZINC000154239863 544669255 /nfs/dbraw/zinc/66/92/55/544669255.db2.gz BTYBUEGZWBSEGW-SMDDNHRTSA-N 2 2 290.371 0.235 20 0 CCADLP CN(CCC[NH3+])C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000158796406 544691557 /nfs/dbraw/zinc/69/15/57/544691557.db2.gz FPJXMJHSZDQUDC-UHFFFAOYSA-N 2 2 291.395 0.940 20 0 CCADLP C[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)C1 ZINC000217546333 544816156 /nfs/dbraw/zinc/81/61/56/544816156.db2.gz CGAHGYZIRCMAOG-STQMWFEESA-N 2 2 253.390 0.916 20 0 CCADLP C[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)C1 ZINC000217546333 544816159 /nfs/dbraw/zinc/81/61/59/544816159.db2.gz CGAHGYZIRCMAOG-STQMWFEESA-N 2 2 253.390 0.916 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCS2(=O)=O)CC[N@@H+]1C ZINC000252185370 544929035 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C[C@H]1C[N@@H+](Cc2cncnc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000354018722 545072221 /nfs/dbraw/zinc/07/22/21/545072221.db2.gz RTDVBSLBMIOHON-GOEBONIOSA-N 2 2 289.427 0.934 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCCC[C@H]2CCO)CC1 ZINC000342038784 545055914 /nfs/dbraw/zinc/05/59/14/545055914.db2.gz VHEPQRKYLLPOBL-AWEZNQCLSA-N 2 2 283.416 0.387 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCCC[C@H]2CCO)CC1 ZINC000342038784 545055916 /nfs/dbraw/zinc/05/59/16/545055916.db2.gz VHEPQRKYLLPOBL-AWEZNQCLSA-N 2 2 283.416 0.387 20 0 CCADLP CO[C@]1(C)C[C@@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1(C)C ZINC000519118981 265324828 /nfs/dbraw/zinc/32/48/28/265324828.db2.gz WUOOEFQDZRGFOD-LALPHHSUSA-N 2 2 298.431 0.474 20 0 CCADLP CO[C@]1(C)C[C@@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1(C)C ZINC000519118981 265324829 /nfs/dbraw/zinc/32/48/29/265324829.db2.gz WUOOEFQDZRGFOD-LALPHHSUSA-N 2 2 298.431 0.474 20 0 CCADLP CO[C@]1(C)C[C@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1(C)C ZINC000519118983 265324852 /nfs/dbraw/zinc/32/48/52/265324852.db2.gz WUOOEFQDZRGFOD-TYNCELHUSA-N 2 2 298.431 0.474 20 0 CCADLP CO[C@]1(C)C[C@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1(C)C ZINC000519118983 265324853 /nfs/dbraw/zinc/32/48/53/265324853.db2.gz WUOOEFQDZRGFOD-TYNCELHUSA-N 2 2 298.431 0.474 20 0 CCADLP C[C@]1(F)C[NH2+]CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000519156752 265336294 /nfs/dbraw/zinc/33/62/94/265336294.db2.gz KOOGBPKORBGFLA-MJBXVCDLSA-N 2 2 271.380 0.483 20 0 CCADLP C[C@]1(F)C[NH2+]CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000519156752 265336297 /nfs/dbraw/zinc/33/62/97/265336297.db2.gz KOOGBPKORBGFLA-MJBXVCDLSA-N 2 2 271.380 0.483 20 0 CCADLP CC(C)[C@@H](C[NH3+])C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976543 275981486 /nfs/dbraw/zinc/98/14/86/275981486.db2.gz RWMSTZLOUDUBLZ-QWHCGFSZSA-N 2 2 269.389 0.150 20 0 CCADLP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000355151585 276044228 /nfs/dbraw/zinc/04/42/28/276044228.db2.gz QIGGWEYIEMPNOM-KGLIPLIRSA-N 2 2 282.432 0.269 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)C(=O)OC)C2)CC1 ZINC000245939597 276198708 /nfs/dbraw/zinc/19/87/08/276198708.db2.gz UOCKQCTWBLKXGT-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)C(=O)OC)C2)CC1 ZINC000245939597 276198709 /nfs/dbraw/zinc/19/87/09/276198709.db2.gz UOCKQCTWBLKXGT-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ncccn3)C2)CC1 ZINC000192013427 276201706 /nfs/dbraw/zinc/20/17/06/276201706.db2.gz GNHZQVBQKWEJPP-AWEZNQCLSA-N 2 2 275.400 0.688 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ncccn3)C2)CC1 ZINC000192013427 276201707 /nfs/dbraw/zinc/20/17/07/276201707.db2.gz GNHZQVBQKWEJPP-AWEZNQCLSA-N 2 2 275.400 0.688 20 0 CCADLP CC[N@@H+]1CC[C@@H]2OCCN(CC[NH+]3CCOC[C@H]3C)[C@H]2C1 ZINC000339377283 276219795 /nfs/dbraw/zinc/21/97/95/276219795.db2.gz AFZQMPNASNITDN-PMPSAXMXSA-N 2 2 297.443 0.502 20 0 CCADLP CC[N@H+]1CC[C@@H]2OCCN(CC[NH+]3CCOC[C@H]3C)[C@H]2C1 ZINC000339377283 276219796 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CCADLP CCC[C@](C)(O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372070038 276292378 /nfs/dbraw/zinc/29/23/78/276292378.db2.gz JJXBGUBXNNRWKN-BBRMVZONSA-N 2 2 297.443 0.822 20 0 CCADLP CCN(C)C(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000130412818 276302083 /nfs/dbraw/zinc/30/20/83/276302083.db2.gz LUYNHGUCGUREAO-HNNXBMFYSA-N 2 2 297.443 0.899 20 0 CCADLP CCN(C)C(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000130412818 276302084 /nfs/dbraw/zinc/30/20/84/276302084.db2.gz LUYNHGUCGUREAO-HNNXBMFYSA-N 2 2 297.443 0.899 20 0 CCADLP CC[N@H+](CCNC(=O)[C@H]1COCC[NH+]1CC)C1CC1 ZINC000371334354 276348331 /nfs/dbraw/zinc/34/83/31/276348331.db2.gz FGIBDSSWVBZCNL-CYBMUJFWSA-N 2 2 269.389 0.308 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@H]1COCC[NH+]1CC)C1CC1 ZINC000371334354 276348332 /nfs/dbraw/zinc/34/83/32/276348332.db2.gz FGIBDSSWVBZCNL-CYBMUJFWSA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH+](CCNC(=O)[C@H]1COCC[N@@H+]1CC)C1CC1 ZINC000371334354 276348333 /nfs/dbraw/zinc/34/83/33/276348333.db2.gz FGIBDSSWVBZCNL-CYBMUJFWSA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH+](CCNC(=O)[C@H]1COCC[N@H+]1CC)C1CC1 ZINC000371334354 276348334 /nfs/dbraw/zinc/34/83/34/276348334.db2.gz FGIBDSSWVBZCNL-CYBMUJFWSA-N 2 2 269.389 0.308 20 0 CCADLP CCNC(=O)C1(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CCC1 ZINC000423081894 276415010 /nfs/dbraw/zinc/41/50/10/276415010.db2.gz VYGNXSDGRCOPLZ-KBPBESRZSA-N 2 2 295.427 0.649 20 0 CCADLP C([NH+]1CCCOCC1)C1(C[N@@H+]2CCCOCC2)COC1 ZINC000360011669 545081043 /nfs/dbraw/zinc/08/10/43/545081043.db2.gz WWNHHSBCOJYGPG-UHFFFAOYSA-N 2 2 284.400 0.448 20 0 CCADLP C([NH+]1CCCOCC1)C1(C[N@H+]2CCCOCC2)COC1 ZINC000360011669 545081044 /nfs/dbraw/zinc/08/10/44/545081044.db2.gz WWNHHSBCOJYGPG-UHFFFAOYSA-N 2 2 284.400 0.448 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000019504367 276920709 /nfs/dbraw/zinc/92/07/09/276920709.db2.gz JJLJCXSAEREQSH-AGIUHOORSA-N 2 2 251.374 0.681 20 0 CCADLP CC(=O)NCCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129494162 277030511 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C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000351640198 277044339 /nfs/dbraw/zinc/04/43/39/277044339.db2.gz TVLFBTJWNXSHEP-VXGBXAGGSA-N 2 2 255.362 0.047 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000351640198 277044340 /nfs/dbraw/zinc/04/43/40/277044340.db2.gz TVLFBTJWNXSHEP-VXGBXAGGSA-N 2 2 255.362 0.047 20 0 CCADLP CC(=O)N[C@H]1CCCN(C(=O)C[NH2+][C@](C)(C[NH3+])C(C)C)C1 ZINC000430567940 277056973 /nfs/dbraw/zinc/05/69/73/277056973.db2.gz BPERPYOGVDJICS-DZGCQCFKSA-N 2 2 298.431 0.077 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1CS(N)(=O)=O ZINC000407948651 277078099 /nfs/dbraw/zinc/07/80/99/277078099.db2.gz JWJPLPTZKUTATM-NWDGAFQWSA-N 2 2 275.418 0.224 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1CS(N)(=O)=O ZINC000407948651 277078100 /nfs/dbraw/zinc/07/81/00/277078100.db2.gz JWJPLPTZKUTATM-NWDGAFQWSA-N 2 2 275.418 0.224 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000407948651 277078101 /nfs/dbraw/zinc/07/81/01/277078101.db2.gz JWJPLPTZKUTATM-NWDGAFQWSA-N 2 2 275.418 0.224 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000407948651 277078102 /nfs/dbraw/zinc/07/81/02/277078102.db2.gz JWJPLPTZKUTATM-NWDGAFQWSA-N 2 2 275.418 0.224 20 0 CCADLP COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000362714492 277233021 /nfs/dbraw/zinc/23/30/21/277233021.db2.gz WYDLKNKANWSTRX-ARLBYUKCSA-N 2 2 298.427 0.879 20 0 CCADLP COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000362714492 277233023 /nfs/dbraw/zinc/23/30/23/277233023.db2.gz WYDLKNKANWSTRX-ARLBYUKCSA-N 2 2 298.427 0.879 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000447444351 277279096 /nfs/dbraw/zinc/27/90/96/277279096.db2.gz WFNOEUVYBVRGFG-LLVKDONJSA-N 2 2 294.399 0.792 20 0 CCADLP CO[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000429528116 277335879 /nfs/dbraw/zinc/33/58/79/277335879.db2.gz OEECKGYQNFGWAJ-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP COC(=O)[C@@H]1CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)[C@@H]1C ZINC000425330417 277353657 /nfs/dbraw/zinc/35/36/57/277353657.db2.gz APHLTDDLIGOWTH-ZYHUDNBSSA-N 2 2 280.372 0.870 20 0 CCADLP COC(=O)[C@@H]1CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)[C@@H]1C ZINC000425330417 277353659 /nfs/dbraw/zinc/35/36/59/277353659.db2.gz APHLTDDLIGOWTH-ZYHUDNBSSA-N 2 2 280.372 0.870 20 0 CCADLP CCOC1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000381287216 545084683 /nfs/dbraw/zinc/08/46/83/545084683.db2.gz WQMSELVWLLJAEC-ZDUSSCGKSA-N 2 2 256.390 0.942 20 0 CCADLP CCOC1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000381287216 545084684 /nfs/dbraw/zinc/08/46/84/545084684.db2.gz WQMSELVWLLJAEC-ZDUSSCGKSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000333846491 278015892 /nfs/dbraw/zinc/01/58/92/278015892.db2.gz PFXQASMWTNEEOX-RDBSUJKOSA-N 2 2 296.415 0.243 20 0 CCADLP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000336212376 278125970 /nfs/dbraw/zinc/12/59/70/278125970.db2.gz SDHDTXOZTULDJH-GOEBONIOSA-N 2 2 291.370 0.861 20 0 CCADLP C[C@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)CN1CC[NH+](C)CC1 ZINC000422709736 278210114 /nfs/dbraw/zinc/21/01/14/278210114.db2.gz DVWXFBTZWCNDTA-OAGGEKHMSA-N 3 2 282.476 0.990 20 0 CCADLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)[C@H]1CCCOC1 ZINC000356900213 278265480 /nfs/dbraw/zinc/26/54/80/278265480.db2.gz OQHLYJCVDYIOKW-IHRRRGAJSA-N 2 2 255.406 0.637 20 0 CCADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)[C@H]1CCCOC1 ZINC000356900213 278265481 /nfs/dbraw/zinc/26/54/81/278265481.db2.gz OQHLYJCVDYIOKW-IHRRRGAJSA-N 2 2 255.406 0.637 20 0 CCADLP C[C@H]([C@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C)N1CCOCC1 ZINC000414326881 278304150 /nfs/dbraw/zinc/30/41/50/278304150.db2.gz FQDMWCCFXUOGTF-QWHCGFSZSA-N 2 2 295.431 0.685 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCOC[C@@H]1C[C@H](C)O ZINC000362270737 279171143 /nfs/dbraw/zinc/17/11/43/279171143.db2.gz QBQLXVRINNPXSH-AAEUAGOBSA-N 2 2 253.346 0.663 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCOC[C@@H]1C[C@H](C)O ZINC000362270737 279171147 /nfs/dbraw/zinc/17/11/47/279171147.db2.gz QBQLXVRINNPXSH-AAEUAGOBSA-N 2 2 253.346 0.663 20 0 CCADLP CCN1CC[NH+](CCC(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000352011670 279355282 /nfs/dbraw/zinc/35/52/82/279355282.db2.gz CFNIYTJIRPXTDE-LSDHHAIUSA-N 2 2 296.459 0.565 20 0 CCADLP CCN1CC[NH+](CCC(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000352011670 279355285 /nfs/dbraw/zinc/35/52/85/279355285.db2.gz CFNIYTJIRPXTDE-LSDHHAIUSA-N 2 2 296.459 0.565 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@]2(CC[NH+](C)C2)C1 ZINC000346301817 279378394 /nfs/dbraw/zinc/37/83/94/279378394.db2.gz WACFJZGYUMJRFC-HIFRSBDPSA-N 2 2 281.400 0.261 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@]2(CC[NH+](C)C2)C1 ZINC000346301817 279378397 /nfs/dbraw/zinc/37/83/97/279378397.db2.gz WACFJZGYUMJRFC-HIFRSBDPSA-N 2 2 281.400 0.261 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000346301817 279378399 /nfs/dbraw/zinc/37/83/99/279378399.db2.gz WACFJZGYUMJRFC-HIFRSBDPSA-N 2 2 281.400 0.261 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000346301817 279378400 /nfs/dbraw/zinc/37/84/00/279378400.db2.gz WACFJZGYUMJRFC-HIFRSBDPSA-N 2 2 281.400 0.261 20 0 CCADLP C[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000195161812 279392830 /nfs/dbraw/zinc/39/28/30/279392830.db2.gz APTDEJMGTPYAJO-GXTWGEPZSA-N 2 2 277.368 0.523 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H](C2CC2)O1 ZINC000375930336 288138818 /nfs/dbraw/zinc/13/88/18/288138818.db2.gz YOJZACRSMLACAN-OCCSQVGLSA-N 2 2 281.400 0.260 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H](C2CC2)O1 ZINC000375930336 288138819 /nfs/dbraw/zinc/13/88/19/288138819.db2.gz YOJZACRSMLACAN-OCCSQVGLSA-N 2 2 281.400 0.260 20 0 CCADLP NC(=O)[C@@H]1CCCC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000130875710 279575564 /nfs/dbraw/zinc/57/55/64/279575564.db2.gz WZXDLJPBMOUJOX-VXGBXAGGSA-N 2 2 250.346 0.907 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccoc1C ZINC000382328165 545084834 /nfs/dbraw/zinc/08/48/34/545084834.db2.gz TTZHMNRBUUCUEA-CQSZACIVSA-N 2 2 270.373 0.959 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccoc1C ZINC000382328165 545084835 /nfs/dbraw/zinc/08/48/35/545084835.db2.gz TTZHMNRBUUCUEA-CQSZACIVSA-N 2 2 270.373 0.959 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccoc1C ZINC000382328165 545084836 /nfs/dbraw/zinc/08/48/36/545084836.db2.gz TTZHMNRBUUCUEA-CQSZACIVSA-N 2 2 270.373 0.959 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccoc1C ZINC000382328165 545084837 /nfs/dbraw/zinc/08/48/37/545084837.db2.gz TTZHMNRBUUCUEA-CQSZACIVSA-N 2 2 270.373 0.959 20 0 CCADLP CC(C)[C@H](C(=O)N1CC[NH+](C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000341752018 280150274 /nfs/dbraw/zinc/15/02/74/280150274.db2.gz XGIIBNWMKROZJF-QLFBSQMISA-N 2 2 297.443 0.894 20 0 CCADLP CC(C)[C@H](C(=O)N1CC[NH+](C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000341752018 280150275 /nfs/dbraw/zinc/15/02/75/280150275.db2.gz XGIIBNWMKROZJF-QLFBSQMISA-N 2 2 297.443 0.894 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000433169958 280235777 /nfs/dbraw/zinc/23/57/77/280235777.db2.gz UEDJNZFSRANFIL-KBPBESRZSA-N 2 2 283.416 0.541 20 0 CCADLP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420349356 280242929 /nfs/dbraw/zinc/24/29/29/280242929.db2.gz CQGZEDROJYDGTF-JHJVBQTASA-N 2 2 271.405 0.417 20 0 CCADLP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420349356 280242936 /nfs/dbraw/zinc/24/29/36/280242936.db2.gz CQGZEDROJYDGTF-JHJVBQTASA-N 2 2 271.405 0.417 20 0 CCADLP Cc1ccc2[nH+]c(CN3CCO[C@@H]4C[NH2+]C[C@@H]43)cn2c1 ZINC000420399505 281154411 /nfs/dbraw/zinc/15/44/11/281154411.db2.gz BQFOTSYSOZIAKU-UONOGXRCSA-N 2 2 272.352 0.815 20 0 CCADLP C[NH+](C)CC(=O)N1CC[C@](C)([NH2+]CC(=O)OC(C)(C)C)C1 ZINC000442834509 282057310 /nfs/dbraw/zinc/05/73/10/282057310.db2.gz XBPWNKCOXHITLL-HNNXBMFYSA-N 2 2 299.415 0.470 20 0 CCADLP C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000357236085 289254706 /nfs/dbraw/zinc/25/47/06/289254706.db2.gz SPPLQMVNEMUCBJ-MGPQQGTHSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000357236085 289254708 /nfs/dbraw/zinc/25/47/08/289254708.db2.gz SPPLQMVNEMUCBJ-MGPQQGTHSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@H](C(=O)N1CCC[C@H]([NH+](C)C)C1)[NH+]1CCN(C)CC1 ZINC000358578222 289277191 /nfs/dbraw/zinc/27/71/91/289277191.db2.gz YSPZSTVFJVZIGT-KGLIPLIRSA-N 2 2 282.432 0.175 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC(=O)N1CCC1 ZINC000371301195 289333361 /nfs/dbraw/zinc/33/33/61/289333361.db2.gz SQZCMSOWBRUABF-RDBSUJKOSA-N 2 2 281.400 0.402 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC(=O)N1CCC1 ZINC000371301195 289333363 /nfs/dbraw/zinc/33/33/63/289333363.db2.gz SQZCMSOWBRUABF-RDBSUJKOSA-N 2 2 281.400 0.402 20 0 CCADLP COC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C1CC1 ZINC000155373074 293149439 /nfs/dbraw/zinc/14/94/39/293149439.db2.gz ZVVYHUIRTFGQTA-GJZGRUSLSA-N 2 2 297.443 0.944 20 0 CCADLP COC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)C1CC1 ZINC000155373074 293149443 /nfs/dbraw/zinc/14/94/43/293149443.db2.gz ZVVYHUIRTFGQTA-GJZGRUSLSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]1C[N@@H+]([C@@H]2CCCN(c3ccn(C)n3)C2=O)CC[C@H]1[NH3+] ZINC000430948922 297070764 /nfs/dbraw/zinc/07/07/64/297070764.db2.gz LWNNHBYZBAWDQZ-JHJVBQTASA-N 2 2 291.399 0.585 20 0 CCADLP C[C@@H]1C[N@H+]([C@@H]2CCCN(c3ccn(C)n3)C2=O)CC[C@H]1[NH3+] ZINC000430948922 297070767 /nfs/dbraw/zinc/07/07/67/297070767.db2.gz LWNNHBYZBAWDQZ-JHJVBQTASA-N 2 2 291.399 0.585 20 0 CCADLP C[C@@H]1C[N@@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)CC[C@@H]1[NH3+] ZINC000430949647 297071614 /nfs/dbraw/zinc/07/16/14/297071614.db2.gz OHMMPHQADDXUTR-KXUCPTDWSA-N 2 2 279.306 0.819 20 0 CCADLP C[C@@H]1C[N@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)CC[C@@H]1[NH3+] ZINC000430949647 297071616 /nfs/dbraw/zinc/07/16/16/297071616.db2.gz OHMMPHQADDXUTR-KXUCPTDWSA-N 2 2 279.306 0.819 20 0 CCADLP CO[C@H](C)[C@H](C)[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000361487628 294333390 /nfs/dbraw/zinc/33/33/90/294333390.db2.gz VOYWCTVWIXMTPT-LSDHHAIUSA-N 2 2 287.448 0.390 20 0 CCADLP [NH3+]CC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000262672191 295218239 /nfs/dbraw/zinc/21/82/39/295218239.db2.gz SBSNYHQHWGTGCA-CQSZACIVSA-N 2 2 277.368 0.005 20 0 CCADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCNC(=O)C2(C)C)cc1 ZINC000420296444 295241021 /nfs/dbraw/zinc/24/10/21/295241021.db2.gz DNWGMARPJALFHY-CYBMUJFWSA-N 2 2 291.395 0.948 20 0 CCADLP COc1ccc([C@H](C[NH3+])C[N@H+]2CCNC(=O)C2(C)C)cc1 ZINC000420296444 295241023 /nfs/dbraw/zinc/24/10/23/295241023.db2.gz DNWGMARPJALFHY-CYBMUJFWSA-N 2 2 291.395 0.948 20 0 CCADLP [NH3+]Cc1cc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)co1 ZINC000188111402 295277064 /nfs/dbraw/zinc/27/70/64/295277064.db2.gz GIQWHBRZZLOOHN-CYBMUJFWSA-N 2 2 293.367 0.675 20 0 CCADLP [NH3+]C1(CC(=O)N2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000398171885 545088847 /nfs/dbraw/zinc/08/88/47/545088847.db2.gz LMLDQQZGFYAWFO-UHFFFAOYSA-N 2 2 274.368 0.607 20 0 CCADLP CCC[N@@H+]1CC[C@@H](N[C@H]2CC[NH+](CCOC)C2)C1 ZINC000389428472 545086706 /nfs/dbraw/zinc/08/67/06/545086706.db2.gz XLJFKJBFSCAQOF-KGLIPLIRSA-N 2 2 255.406 0.781 20 0 CCADLP CCC[N@H+]1CC[C@@H](N[C@H]2CC[NH+](CCOC)C2)C1 ZINC000389428472 545086707 /nfs/dbraw/zinc/08/67/07/545086707.db2.gz XLJFKJBFSCAQOF-KGLIPLIRSA-N 2 2 255.406 0.781 20 0 CCADLP CCC[NH+]1CC[C@@H](N[C@H]2CC[N@H+](CCOC)C2)C1 ZINC000389428472 545086708 /nfs/dbraw/zinc/08/67/08/545086708.db2.gz XLJFKJBFSCAQOF-KGLIPLIRSA-N 2 2 255.406 0.781 20 0 CCADLP CCC[NH+]1CC[C@@H](N[C@H]2CC[N@@H+](CCOC)C2)C1 ZINC000389428472 545086709 /nfs/dbraw/zinc/08/67/09/545086709.db2.gz XLJFKJBFSCAQOF-KGLIPLIRSA-N 2 2 255.406 0.781 20 0 CCADLP C[C@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261590825 298014492 /nfs/dbraw/zinc/01/44/92/298014492.db2.gz LONXXUJGAXRLJX-MCIONIFRSA-N 2 2 265.401 0.929 20 0 CCADLP C[C@H](C(=O)N1CCCCC1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261590825 298014493 /nfs/dbraw/zinc/01/44/93/298014493.db2.gz LONXXUJGAXRLJX-MCIONIFRSA-N 2 2 265.401 0.929 20 0 CCADLP C[C@H](C(=O)NC1CCC(C)CC1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420362673 298142346 /nfs/dbraw/zinc/14/23/46/298142346.db2.gz ZNLRCRSJGLJPIQ-POOIEITISA-N 2 2 271.405 0.321 20 0 CCADLP C[C@H](C(=O)NC1CCC(C)CC1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420362673 298142350 /nfs/dbraw/zinc/14/23/50/298142350.db2.gz ZNLRCRSJGLJPIQ-POOIEITISA-N 2 2 271.405 0.321 20 0 CCADLP C[C@H](CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+])[NH+]1CCOCC1 ZINC000449319175 298690984 /nfs/dbraw/zinc/69/09/84/298690984.db2.gz JDZJLYQWGIFOPS-MCIONIFRSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434390753 300065079 /nfs/dbraw/zinc/06/50/79/300065079.db2.gz YOMWDVDEWSBERK-KBPBESRZSA-N 2 2 295.427 0.840 20 0 CCADLP O=C(NCC[NH+]1CCCCC1)C1([NH+]2CCOCC2)CCC1 ZINC000374257769 303772103 /nfs/dbraw/zinc/77/21/03/303772103.db2.gz GKJVUKIGHHYQSK-UHFFFAOYSA-N 2 2 295.427 0.843 20 0 CCADLP O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)[C@H]1CC[NH2+]1 ZINC000444177512 303786176 /nfs/dbraw/zinc/78/61/76/303786176.db2.gz WXDKMDXRMPVNPX-CABCVRRESA-N 2 2 289.379 0.538 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3ccc(F)cc3)CCN2C1=O ZINC000575763717 328123682 /nfs/dbraw/zinc/12/36/82/328123682.db2.gz YRTRDDZDLKNXMY-QWHCGFSZSA-N 2 2 263.316 0.570 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3ccc(F)cc3)CCN2C1=O ZINC000575763717 328123683 /nfs/dbraw/zinc/12/36/83/328123683.db2.gz YRTRDDZDLKNXMY-QWHCGFSZSA-N 2 2 263.316 0.570 20 0 CCADLP CC(C)[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000578237182 327312280 /nfs/dbraw/zinc/31/22/80/327312280.db2.gz CGLIWNRAUKMJNK-SYQHCUMBSA-N 2 2 274.405 0.063 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2ccno2)C1 ZINC000578627598 327346319 /nfs/dbraw/zinc/34/63/19/327346319.db2.gz ZQPFKXHKVTYEBM-LLVKDONJSA-N 2 2 264.329 0.071 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2ccno2)C1 ZINC000578627598 327346320 /nfs/dbraw/zinc/34/63/20/327346320.db2.gz ZQPFKXHKVTYEBM-LLVKDONJSA-N 2 2 264.329 0.071 20 0 CCADLP C[C@@H](c1nnnn1C1CC1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000583431176 327360886 /nfs/dbraw/zinc/36/08/86/327360886.db2.gz CGWKJFPGHIUMOY-VWYCJHECSA-N 2 2 264.377 0.986 20 0 CCADLP C[C@@H](c1nnnn1C1CC1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000583431176 327360888 /nfs/dbraw/zinc/36/08/88/327360888.db2.gz CGWKJFPGHIUMOY-VWYCJHECSA-N 2 2 264.377 0.986 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(C(=O)N(C)C)CCCC1 ZINC000583625128 328717100 /nfs/dbraw/zinc/71/71/00/328717100.db2.gz JNLKCDQJLSRVFM-ZIAGYGMSSA-N 2 2 297.443 0.992 20 0 CCADLP [NH3+]C[C@@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000583692434 329002759 /nfs/dbraw/zinc/00/27/59/329002759.db2.gz BSPZDAVSSNGHHC-DZGCQCFKSA-N 2 2 295.427 0.827 20 0 CCADLP [NH3+]C[C@@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000583692434 329002761 /nfs/dbraw/zinc/00/27/61/329002761.db2.gz BSPZDAVSSNGHHC-DZGCQCFKSA-N 2 2 295.427 0.827 20 0 CCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000582606187 329115314 /nfs/dbraw/zinc/11/53/14/329115314.db2.gz CVQWCYSSBNTMBY-CQSZACIVSA-N 3 2 270.421 0.114 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@H](C)CCS(C)(=O)=O)n1C ZINC000582676182 329124143 /nfs/dbraw/zinc/12/41/43/329124143.db2.gz DWDONSKTYUGEOR-SECBINFHSA-N 2 2 259.375 0.641 20 0 CCADLP COc1c(N)[nH+]cnc1NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000583154088 329323886 /nfs/dbraw/zinc/32/38/86/329323886.db2.gz XPIGYMJXDBWROB-GHMZBOCLSA-N 2 2 295.387 0.401 20 0 CCADLP COc1c(N)nc[nH+]c1NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000583154088 329323887 /nfs/dbraw/zinc/32/38/87/329323887.db2.gz XPIGYMJXDBWROB-GHMZBOCLSA-N 2 2 295.387 0.401 20 0 CCADLP CC[C@@]1(CO)CCC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000575878525 335127423 /nfs/dbraw/zinc/12/74/23/335127423.db2.gz RCDCZXSWEBKIQU-LSDHHAIUSA-N 2 2 288.432 0.410 20 0 CCADLP CC[C@@]1(CO)CCC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000575878525 335127425 /nfs/dbraw/zinc/12/74/25/335127425.db2.gz RCDCZXSWEBKIQU-LSDHHAIUSA-N 2 2 288.432 0.410 20 0 CCADLP CC[C@@]1(CO)CCC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000575878525 335127426 /nfs/dbraw/zinc/12/74/26/335127426.db2.gz RCDCZXSWEBKIQU-LSDHHAIUSA-N 2 2 288.432 0.410 20 0 CCADLP CC[C@@]1(CO)CCC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000575878525 335127427 /nfs/dbraw/zinc/12/74/27/335127427.db2.gz RCDCZXSWEBKIQU-LSDHHAIUSA-N 2 2 288.432 0.410 20 0 CCADLP C[C@@H](CO)[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000575987594 335138903 /nfs/dbraw/zinc/13/89/03/335138903.db2.gz QERFUXTWCKLXIV-RYMFRWLXSA-N 2 2 274.405 0.063 20 0 CCADLP CC(C)n1cc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cn1 ZINC000543503524 333878381 /nfs/dbraw/zinc/87/83/81/333878381.db2.gz CBFMSNKBOZGPCA-CYBMUJFWSA-N 2 2 293.415 0.889 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)SCC[NH2+]C)CC1 ZINC000565598167 334577214 /nfs/dbraw/zinc/57/72/14/334577214.db2.gz QULCGWGPNOSNLP-NSHDSACASA-N 2 2 259.419 0.492 20 0 CCADLP Cn1cc[nH+]c1CN1CC[NH+](CC[C@H]2CCNC2=O)CC1 ZINC000565960078 334612495 /nfs/dbraw/zinc/61/24/95/334612495.db2.gz XUIJNGLCFJLKPX-CYBMUJFWSA-N 2 2 291.399 0.064 20 0 CCADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000576515883 335213436 /nfs/dbraw/zinc/21/34/36/335213436.db2.gz ASALSSSVJLXNPF-NEPJUHHUSA-N 2 2 272.393 0.086 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCc2cccc(F)c2F)[C@H](C[NH3+])C1 ZINC000576516250 335213485 /nfs/dbraw/zinc/21/34/85/335213485.db2.gz MCVFIOAYBLFNSH-GFCCVEGCSA-N 2 2 297.349 0.999 20 0 CCADLP C[N@H+]1CCN(C(=O)CCc2cccc(F)c2F)[C@H](C[NH3+])C1 ZINC000576516250 335213487 /nfs/dbraw/zinc/21/34/87/335213487.db2.gz MCVFIOAYBLFNSH-GFCCVEGCSA-N 2 2 297.349 0.999 20 0 CCADLP C[NH+](C)CCN1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000576580687 335221466 /nfs/dbraw/zinc/22/14/66/335221466.db2.gz LRSSPNOCPIVEBF-UHFFFAOYSA-N 2 2 293.415 0.393 20 0 CCADLP C[C@@]1(CNC(=O)[C@@H]([NH3+])c2cscn2)CCC[NH2+]C1 ZINC000576696452 335235715 /nfs/dbraw/zinc/23/57/15/335235715.db2.gz POVSWUFUPWWHCH-CMPLNLGQSA-N 2 2 268.386 0.649 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C)CC1 ZINC000576759096 335244662 /nfs/dbraw/zinc/24/46/62/335244662.db2.gz RZFZSPVCNFKUPS-CYBMUJFWSA-N 3 2 284.448 0.550 20 0 CCADLP COc1c(N)[nH+]cnc1N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000576838145 335254370 /nfs/dbraw/zinc/25/43/70/335254370.db2.gz OYTPFXUTSSMSFN-BDAKNGLRSA-N 2 2 283.401 0.549 20 0 CCADLP COc1c(N)[nH+]cnc1N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000576838155 335254527 /nfs/dbraw/zinc/25/45/27/335254527.db2.gz OYTPFXUTSSMSFN-IUCAKERBSA-N 2 2 283.401 0.549 20 0 CCADLP [NH3+][C@@H](C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1cscn1 ZINC000576984057 335273265 /nfs/dbraw/zinc/27/32/65/335273265.db2.gz JNKAGHXKTYGMFN-ZYHUDNBSSA-N 2 2 280.397 0.840 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000576994015 335275306 /nfs/dbraw/zinc/27/53/06/335275306.db2.gz JGZIMKMWRBBMMU-OCCSQVGLSA-N 2 2 276.384 0.902 20 0 CCADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NCC[NH+]1CCOCC1 ZINC000577268986 335332287 /nfs/dbraw/zinc/33/22/87/335332287.db2.gz DXKZIWJDEIIWAM-VTXSZYRJSA-N 2 2 296.415 0.134 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](n2ccnn2)C1 ZINC000577408739 335349621 /nfs/dbraw/zinc/34/96/21/335349621.db2.gz FSZRQUAVLQUBGI-CHWSQXEVSA-N 2 2 267.377 0.228 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](n2ccnn2)C1 ZINC000577408739 335349622 /nfs/dbraw/zinc/34/96/22/335349622.db2.gz FSZRQUAVLQUBGI-CHWSQXEVSA-N 2 2 267.377 0.228 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000577408739 335349623 /nfs/dbraw/zinc/34/96/23/335349623.db2.gz FSZRQUAVLQUBGI-CHWSQXEVSA-N 2 2 267.377 0.228 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000577408739 335349624 /nfs/dbraw/zinc/34/96/24/335349624.db2.gz FSZRQUAVLQUBGI-CHWSQXEVSA-N 2 2 267.377 0.228 20 0 CCADLP COCCC[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC000577434249 335351960 /nfs/dbraw/zinc/35/19/60/335351960.db2.gz NBXGBECVQQLMIP-UHFFFAOYSA-N 2 2 280.372 0.500 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCc2cnccn2)C[C@@H](C)O1 ZINC000577485424 335357427 /nfs/dbraw/zinc/35/74/27/335357427.db2.gz VMGNMSIKWZAEPQ-NFAWXSAZSA-N 2 2 294.399 0.079 20 0 CCADLP [NH3+]CC(F)(F)CC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000577525490 335364888 /nfs/dbraw/zinc/36/48/88/335364888.db2.gz CCLZVUMAOOGXEB-LLVKDONJSA-N 2 2 284.310 0.539 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCc2ccco2)[C@@H](C[NH3+])C1 ZINC000577604749 335376835 /nfs/dbraw/zinc/37/68/35/335376835.db2.gz XOPUUUKYSDEKSY-NSHDSACASA-N 2 2 266.345 0.106 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCc2ccco2)[C@@H](C[NH3+])C1 ZINC000577604749 335376836 /nfs/dbraw/zinc/37/68/36/335376836.db2.gz XOPUUUKYSDEKSY-NSHDSACASA-N 2 2 266.345 0.106 20 0 CCADLP C[N@@H+]1CCN(C(=O)Nc2cncc(F)c2)[C@H](C[NH3+])C1 ZINC000577721817 335391954 /nfs/dbraw/zinc/39/19/54/335391954.db2.gz PYGVFBVGZMIXKV-LLVKDONJSA-N 2 2 267.308 0.327 20 0 CCADLP C[N@H+]1CCN(C(=O)Nc2cncc(F)c2)[C@H](C[NH3+])C1 ZINC000577721817 335391955 /nfs/dbraw/zinc/39/19/55/335391955.db2.gz PYGVFBVGZMIXKV-LLVKDONJSA-N 2 2 267.308 0.327 20 0 CCADLP CC(C)OC[C@H](O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000578298849 335596463 /nfs/dbraw/zinc/59/64/63/335596463.db2.gz CJCBEZQJAHAYJN-GFCCVEGCSA-N 2 2 268.361 0.318 20 0 CCADLP C[C@@H](NC(=O)N[C@@H](C)C[C@H](C)[NH3+])[C@@H](C)[NH+]1CCOCC1 ZINC000578320838 335607739 /nfs/dbraw/zinc/60/77/39/335607739.db2.gz FWTOETVYZWWFTM-WUHRBBMRSA-N 2 2 286.420 0.521 20 0 CCADLP C[C@H](O)C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000578350380 335617504 /nfs/dbraw/zinc/61/75/04/335617504.db2.gz NNRQXXUCPQJKRJ-AWEZNQCLSA-N 2 2 294.395 0.868 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000581080429 336005662 /nfs/dbraw/zinc/00/56/62/336005662.db2.gz PXVYXEKESLESAW-WDEREUQCSA-N 2 2 262.357 0.725 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000581080429 336005664 /nfs/dbraw/zinc/00/56/64/336005664.db2.gz PXVYXEKESLESAW-WDEREUQCSA-N 2 2 262.357 0.725 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000581080429 336005667 /nfs/dbraw/zinc/00/56/67/336005667.db2.gz PXVYXEKESLESAW-WDEREUQCSA-N 2 2 262.357 0.725 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000581080429 336005669 /nfs/dbraw/zinc/00/56/69/336005669.db2.gz PXVYXEKESLESAW-WDEREUQCSA-N 2 2 262.357 0.725 20 0 CCADLP CCCC[C@@H](COC)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000581121241 336010869 /nfs/dbraw/zinc/01/08/69/336010869.db2.gz WYCYTAASTMSULI-QWHCGFSZSA-N 2 2 286.420 0.476 20 0 CCADLP CCCC[C@@H](COC)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000581121241 336010871 /nfs/dbraw/zinc/01/08/71/336010871.db2.gz WYCYTAASTMSULI-QWHCGFSZSA-N 2 2 286.420 0.476 20 0 CCADLP COc1cc(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)ccn1 ZINC000382186170 336084126 /nfs/dbraw/zinc/08/41/26/336084126.db2.gz IUIMQJJBLPCFDW-CYBMUJFWSA-N 2 2 265.357 0.635 20 0 CCADLP COc1cc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)ccn1 ZINC000382186170 336084128 /nfs/dbraw/zinc/08/41/28/336084128.db2.gz IUIMQJJBLPCFDW-CYBMUJFWSA-N 2 2 265.357 0.635 20 0 CCADLP CC(C)C[C@H](CNC(=O)[C@H]1CC[NH2+]1)[NH+]1CCOCC1 ZINC000384761731 336130698 /nfs/dbraw/zinc/13/06/98/336130698.db2.gz WKJFSWLXDCBBQS-CHWSQXEVSA-N 2 2 269.389 0.211 20 0 CCADLP CC[C@@H]1C[C@H]1[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581812061 336146620 /nfs/dbraw/zinc/14/66/20/336146620.db2.gz MABDXDUBGKTOCI-XVIXHAIJSA-N 2 2 256.390 0.845 20 0 CCADLP CC[C@@H]1C[C@H]1[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581812061 336146621 /nfs/dbraw/zinc/14/66/21/336146621.db2.gz MABDXDUBGKTOCI-XVIXHAIJSA-N 2 2 256.390 0.845 20 0 CCADLP C[C@@H](C[NH3+])NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000418618511 533798294 /nfs/dbraw/zinc/79/82/94/533798294.db2.gz NEOJDNUIEIBFPL-CMPLNLGQSA-N 2 2 264.329 0.592 20 0 CCADLP C[N@H+](C1CC[NH+](CCO)CC1)[C@H]1CCCCNC1=O ZINC000340850439 522414017 /nfs/dbraw/zinc/41/40/17/522414017.db2.gz WBLTXVWMPSVKSL-ZDUSSCGKSA-N 2 2 269.389 0.044 20 0 CCADLP C[N@@H+](C1CC[NH+](CCO)CC1)[C@H]1CCCCNC1=O ZINC000340850439 522414023 /nfs/dbraw/zinc/41/40/23/522414023.db2.gz WBLTXVWMPSVKSL-ZDUSSCGKSA-N 2 2 269.389 0.044 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000417018806 533860625 /nfs/dbraw/zinc/86/06/25/533860625.db2.gz FMHWHJAKTFPANO-KBPBESRZSA-N 2 2 298.431 0.478 20 0 CCADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000495060329 533922363 /nfs/dbraw/zinc/92/23/63/533922363.db2.gz QUPMDPMUAQYFMX-OLZOCXBDSA-N 2 2 283.416 0.744 20 0 CCADLP C[C@H](C[NH3+])CNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000418462732 534041096 /nfs/dbraw/zinc/04/10/96/534041096.db2.gz BRNHGMKZFNXNCI-GFCCVEGCSA-N 2 2 277.372 0.508 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)o1 ZINC000358294881 534140319 /nfs/dbraw/zinc/14/03/19/534140319.db2.gz HBXAERAUVBWRAU-CYBMUJFWSA-N 2 2 268.313 0.222 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)o1 ZINC000358294881 534140326 /nfs/dbraw/zinc/14/03/26/534140326.db2.gz HBXAERAUVBWRAU-CYBMUJFWSA-N 2 2 268.313 0.222 20 0 CCADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@@H](C(N)=O)C2)s1 ZINC000347649252 536055521 /nfs/dbraw/zinc/05/55/21/536055521.db2.gz IGPSUQMBGCYREG-SECBINFHSA-N 2 2 268.386 0.512 20 0 CCADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@@H](C(N)=O)C2)s1 ZINC000347649252 536055525 /nfs/dbraw/zinc/05/55/25/536055525.db2.gz IGPSUQMBGCYREG-SECBINFHSA-N 2 2 268.386 0.512 20 0 CCADLP CN(C)c1ncc(C[NH2+]CCC[NH+]2CCC2)n1C ZINC000515501084 536161614 /nfs/dbraw/zinc/16/16/14/536161614.db2.gz ZLTZUHVJLJVQCI-UHFFFAOYSA-N 2 2 251.378 0.672 20 0 CCADLP OCCC[N@@H+]1CCC[C@H]1CNc1[nH+]cnc2[nH]ccc21 ZINC000450598098 534362771 /nfs/dbraw/zinc/36/27/71/534362771.db2.gz PRBLJOBVUQOPLG-NSHDSACASA-N 2 2 275.356 0.639 20 0 CCADLP OCCC[N@H+]1CCC[C@H]1CNc1[nH+]cnc2[nH]ccc21 ZINC000450598098 534362778 /nfs/dbraw/zinc/36/27/78/534362778.db2.gz PRBLJOBVUQOPLG-NSHDSACASA-N 2 2 275.356 0.639 20 0 CCADLP O=C(CC[C@@H]1CCC[NH2+]1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000423768096 534444390 /nfs/dbraw/zinc/44/43/90/534444390.db2.gz ZVZUNPYPIBJLPG-GXTWGEPZSA-N 2 2 281.400 0.498 20 0 CCADLP O=C(CC[C@@H]1CCC[NH2+]1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000423768096 534444399 /nfs/dbraw/zinc/44/43/99/534444399.db2.gz ZVZUNPYPIBJLPG-GXTWGEPZSA-N 2 2 281.400 0.498 20 0 CCADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1[nH+]ccn1C ZINC000418120650 534475392 /nfs/dbraw/zinc/47/53/92/534475392.db2.gz WCYYLAQWSZYTPD-VXGBXAGGSA-N 2 2 252.362 0.307 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1Cc1[nH+]ccn1C ZINC000418120650 534475399 /nfs/dbraw/zinc/47/53/99/534475399.db2.gz WCYYLAQWSZYTPD-VXGBXAGGSA-N 2 2 252.362 0.307 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000424136505 534506139 /nfs/dbraw/zinc/50/61/39/534506139.db2.gz APTKCGJBMZPMKV-JTQLQIEISA-N 2 2 288.355 0.572 20 0 CCADLP [NH3+]CC(F)(F)CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000418525790 534576369 /nfs/dbraw/zinc/57/63/69/534576369.db2.gz PVJGGSRAPHNPGJ-VIFPVBQESA-N 2 2 287.314 0.893 20 0 CCADLP [NH3+]CC1(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)CCCC1 ZINC000449645331 534586287 /nfs/dbraw/zinc/58/62/87/534586287.db2.gz JRXRQVXOSQXBEV-SNVBAGLBSA-N 2 2 275.343 0.867 20 0 CCADLP [NH3+]CCNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000418294442 534631010 /nfs/dbraw/zinc/63/10/10/534631010.db2.gz HJWIEDHYNYFISR-QPJJXVBHSA-N 2 2 288.395 0.986 20 0 CCADLP [NH3+]CCNC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000418294441 534631217 /nfs/dbraw/zinc/63/12/17/534631217.db2.gz HJWIEDHYNYFISR-DAXSKMNVSA-N 2 2 288.395 0.986 20 0 CCADLP O=C(NCc1ccccc1-n1cc[nH+]c1)[C@H]1C[NH2+]CCO1 ZINC000423755043 534679325 /nfs/dbraw/zinc/67/93/25/534679325.db2.gz CZCYMAUKCAFSRG-CQSZACIVSA-N 2 2 286.335 0.477 20 0 CCADLP CN(C(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1)C1CC1 ZINC000340707560 523820493 /nfs/dbraw/zinc/82/04/93/523820493.db2.gz CYASNFWYBKAOMI-UHFFFAOYSA-N 2 2 277.372 0.163 20 0 CCADLP Nc1[nH+]cnc(NC[C@H]2CCC[N@@H+]2CCCO)c1Cl ZINC000450599793 534748472 /nfs/dbraw/zinc/74/84/72/534748472.db2.gz UCPMNNRNZLZUKX-SECBINFHSA-N 2 2 285.779 0.393 20 0 CCADLP Nc1[nH+]cnc(NC[C@H]2CCC[N@H+]2CCCO)c1Cl ZINC000450599793 534748475 /nfs/dbraw/zinc/74/84/75/534748475.db2.gz UCPMNNRNZLZUKX-SECBINFHSA-N 2 2 285.779 0.393 20 0 CCADLP CNC(=O)NC(=O)CC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156527546 524077378 /nfs/dbraw/zinc/07/73/78/524077378.db2.gz YUKVVCFDNXCTMI-RYUDHWBXSA-N 2 2 293.371 0.612 20 0 CCADLP CNC(=O)NC(=O)CC[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156527546 524077379 /nfs/dbraw/zinc/07/73/79/524077379.db2.gz YUKVVCFDNXCTMI-RYUDHWBXSA-N 2 2 293.371 0.612 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)CCC1CC[NH2+]CC1 ZINC000050943638 524352936 /nfs/dbraw/zinc/35/29/36/524352936.db2.gz HSVDVKUYVFWXQF-CYBMUJFWSA-N 2 2 283.416 0.603 20 0 CCADLP O=C(NCC1CC[NH+](C2CC2)CC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000423912113 534819171 /nfs/dbraw/zinc/81/91/71/534819171.db2.gz JGXPHGNMEVIMJJ-GFCCVEGCSA-N 2 2 287.354 0.974 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](CO)O2)C[N@@H+]1C1CC1 ZINC000340409417 525438624 /nfs/dbraw/zinc/43/86/24/525438624.db2.gz AGPHMOGEXLPVJD-ZMJPVWNMSA-N 2 2 254.374 0.741 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](CO)O2)C[N@H+]1C1CC1 ZINC000340409417 525438634 /nfs/dbraw/zinc/43/86/34/525438634.db2.gz AGPHMOGEXLPVJD-ZMJPVWNMSA-N 2 2 254.374 0.741 20 0 CCADLP C[C@@H](O)C[C@@H]1COCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000157023839 525826502 /nfs/dbraw/zinc/82/65/02/525826502.db2.gz WCOZBDXXRRAQOM-CHWSQXEVSA-N 2 2 253.346 0.745 20 0 CCADLP C[C@@H](O)C[C@@H]1COCC[N@H+]1CCCn1cc[nH+]c1 ZINC000157023839 525826507 /nfs/dbraw/zinc/82/65/07/525826507.db2.gz WCOZBDXXRRAQOM-CHWSQXEVSA-N 2 2 253.346 0.745 20 0 CCADLP CC(C)[C@H](C(=O)N[C@H](C)Cn1cc[nH+]c1)[NH+](C)C ZINC000268382450 534907501 /nfs/dbraw/zinc/90/75/01/534907501.db2.gz ZSOLBZOQDRCQSP-VXGBXAGGSA-N 2 2 252.362 0.974 20 0 CCADLP c1nc(N2CC[NH+](C3CCC3)CC2)c2c([nH+]1)NCCO2 ZINC000665701237 545103760 /nfs/dbraw/zinc/10/37/60/545103760.db2.gz PPXYYHKUXQDWTE-UHFFFAOYSA-N 2 2 275.356 0.955 20 0 CCADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[NH+](CC2CC2)CC1 ZINC000156181045 526554295 /nfs/dbraw/zinc/55/42/95/526554295.db2.gz RULHONDVWQCVMT-AWEZNQCLSA-N 2 2 288.395 1.000 20 0 CCADLP CC(=O)N1CCC[C@H](C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000355416134 526588752 /nfs/dbraw/zinc/58/87/52/526588752.db2.gz DEGGIJWSAWGPKL-MRVWCRGKSA-N 2 2 253.390 0.785 20 0 CCADLP CC(=O)N1CCC[C@H](C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000355416134 526588756 /nfs/dbraw/zinc/58/87/56/526588756.db2.gz DEGGIJWSAWGPKL-MRVWCRGKSA-N 2 2 253.390 0.785 20 0 CCADLP COCCn1cc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cn1 ZINC000666769308 545130567 /nfs/dbraw/zinc/13/05/67/545130567.db2.gz YNBDLGJGCRLMES-ZDUSSCGKSA-N 2 2 252.362 0.761 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000666810842 545131630 /nfs/dbraw/zinc/13/16/30/545131630.db2.gz VQULDIKTQKTTEK-RISCZKNCSA-N 2 2 276.384 0.971 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000666810842 545131631 /nfs/dbraw/zinc/13/16/31/545131631.db2.gz VQULDIKTQKTTEK-RISCZKNCSA-N 2 2 276.384 0.971 20 0 CCADLP CNC(=O)c1ccc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000666945531 545135820 /nfs/dbraw/zinc/13/58/20/545135820.db2.gz VQNBFQZYNUIBAZ-STQMWFEESA-N 2 2 265.332 0.836 20 0 CCADLP Cc1[nH+]cc(C[NH+]2CCN(c3cnn(C)c3)CC2)n1C ZINC000667634540 545152327 /nfs/dbraw/zinc/15/23/27/545152327.db2.gz WHPDTHLRAWHOEC-UHFFFAOYSA-N 2 2 274.372 0.784 20 0 CCADLP C[C@H]1CN(Cc2c[nH+]c3n2CCC3)CC[N@@H+]1CCO ZINC000668013922 545161300 /nfs/dbraw/zinc/16/13/00/545161300.db2.gz LVKZRRLGFGUKOS-LBPRGKRZSA-N 2 2 264.373 0.328 20 0 CCADLP C[C@H]1CN(Cc2c[nH+]c3n2CCC3)CC[N@H+]1CCO ZINC000668013922 545161301 /nfs/dbraw/zinc/16/13/01/545161301.db2.gz LVKZRRLGFGUKOS-LBPRGKRZSA-N 2 2 264.373 0.328 20 0 CCADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)n1C ZINC000668041982 545162282 /nfs/dbraw/zinc/16/22/82/545162282.db2.gz FOPDOOVVDUCULI-UHTWSYAYSA-N 2 2 262.357 0.814 20 0 CCADLP Cc1[nH+]cc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)n1C ZINC000668041982 545162283 /nfs/dbraw/zinc/16/22/83/545162283.db2.gz FOPDOOVVDUCULI-UHTWSYAYSA-N 2 2 262.357 0.814 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)NC[C@H]1CCCC[NH2+]1 ZINC000668163313 545165879 /nfs/dbraw/zinc/16/58/79/545165879.db2.gz AEWSMXWPIVZDJA-GFCCVEGCSA-N 2 2 265.361 0.715 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000668436545 545177366 /nfs/dbraw/zinc/17/73/66/545177366.db2.gz IEAOMULLXZYTRE-NEPJUHHUSA-N 2 2 292.383 0.352 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000668436545 545177367 /nfs/dbraw/zinc/17/73/67/545177367.db2.gz IEAOMULLXZYTRE-NEPJUHHUSA-N 2 2 292.383 0.352 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000668436545 545177368 /nfs/dbraw/zinc/17/73/68/545177368.db2.gz IEAOMULLXZYTRE-NEPJUHHUSA-N 2 2 292.383 0.352 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000668436545 545177369 /nfs/dbraw/zinc/17/73/69/545177369.db2.gz IEAOMULLXZYTRE-NEPJUHHUSA-N 2 2 292.383 0.352 20 0 CCADLP Cc1ccc([C@H](C)NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])o1 ZINC000668709460 545188346 /nfs/dbraw/zinc/18/83/46/545188346.db2.gz RIKUYAZASCWGCA-RYUDHWBXSA-N 2 2 280.372 0.933 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493647636 528012950 /nfs/dbraw/zinc/01/29/50/528012950.db2.gz QZJCCPLRYSWZRJ-OOPCZODUSA-N 2 2 292.383 0.896 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493647636 528012953 /nfs/dbraw/zinc/01/29/53/528012953.db2.gz QZJCCPLRYSWZRJ-OOPCZODUSA-N 2 2 292.383 0.896 20 0 CCADLP COC1(C(=O)NCc2cn3ccccc3[nH+]2)CC[NH2+]CC1 ZINC000269224789 536534499 /nfs/dbraw/zinc/53/44/99/536534499.db2.gz CNNZSTYYPWOOIK-UHFFFAOYSA-N 2 2 288.351 0.719 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCO)[C@H](C)C1 ZINC000428140341 528227610 /nfs/dbraw/zinc/22/76/10/528227610.db2.gz FRAMCHXVGJSUEN-KGLIPLIRSA-N 2 2 283.416 0.386 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCO)[C@H](C)C1 ZINC000428140341 528227611 /nfs/dbraw/zinc/22/76/11/528227611.db2.gz FRAMCHXVGJSUEN-KGLIPLIRSA-N 2 2 283.416 0.386 20 0 CCADLP CCC[NH+]1CCC[C@H]1C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000428140341 528227612 /nfs/dbraw/zinc/22/76/12/528227612.db2.gz FRAMCHXVGJSUEN-KGLIPLIRSA-N 2 2 283.416 0.386 20 0 CCADLP CCC[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000428140341 528227614 /nfs/dbraw/zinc/22/76/14/528227614.db2.gz FRAMCHXVGJSUEN-KGLIPLIRSA-N 2 2 283.416 0.386 20 0 CCADLP CN(C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CC([NH3+])C1 ZINC000669542989 545213999 /nfs/dbraw/zinc/21/39/99/545213999.db2.gz XTRLOCQRFBNRIQ-OTTFEQOBSA-N 2 2 289.383 0.791 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000423685068 528474979 /nfs/dbraw/zinc/47/49/79/528474979.db2.gz IKURTJPYTOBTLD-QLFBSQMISA-N 2 2 295.427 0.698 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000423685068 528474983 /nfs/dbraw/zinc/47/49/83/528474983.db2.gz IKURTJPYTOBTLD-QLFBSQMISA-N 2 2 295.427 0.698 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)CCC[NH3+] ZINC000423680503 528476899 /nfs/dbraw/zinc/47/68/99/528476899.db2.gz LIJCHUWBKLAQQZ-QWHCGFSZSA-N 2 2 271.405 0.731 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)CCC[NH3+] ZINC000423680503 528476902 /nfs/dbraw/zinc/47/69/02/528476902.db2.gz LIJCHUWBKLAQQZ-QWHCGFSZSA-N 2 2 271.405 0.731 20 0 CCADLP O=C1NCC[C@H]1[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670985387 545240771 /nfs/dbraw/zinc/24/07/71/545240771.db2.gz BJAZYWVCFXEPDY-QWHCGFSZSA-N 2 2 267.373 0.062 20 0 CCADLP O=C1NCC[C@H]1[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670985387 545240772 /nfs/dbraw/zinc/24/07/72/545240772.db2.gz BJAZYWVCFXEPDY-QWHCGFSZSA-N 2 2 267.373 0.062 20 0 CCADLP CN1CC[C@H]([N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1=O ZINC000670985281 545240844 /nfs/dbraw/zinc/24/08/44/545240844.db2.gz NFZHKOXXACIIOJ-KBPBESRZSA-N 2 2 281.400 0.404 20 0 CCADLP CN1CC[C@H]([N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1=O ZINC000670985281 545240845 /nfs/dbraw/zinc/24/08/45/545240845.db2.gz NFZHKOXXACIIOJ-KBPBESRZSA-N 2 2 281.400 0.404 20 0 CCADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986521 545241236 /nfs/dbraw/zinc/24/12/36/545241236.db2.gz FLQZNOYZJFEIJM-NWDGAFQWSA-N 2 2 255.362 0.047 20 0 CCADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986521 545241237 /nfs/dbraw/zinc/24/12/37/545241237.db2.gz FLQZNOYZJFEIJM-NWDGAFQWSA-N 2 2 255.362 0.047 20 0 CCADLP CC(C)[N@@H+](C)CCNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000413109339 528823480 /nfs/dbraw/zinc/82/34/80/528823480.db2.gz NGFQUWUHCVRHGE-LLVKDONJSA-N 2 2 267.377 0.443 20 0 CCADLP CC(C)[N@H+](C)CCNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000413109339 528823486 /nfs/dbraw/zinc/82/34/86/528823486.db2.gz NGFQUWUHCVRHGE-LLVKDONJSA-N 2 2 267.377 0.443 20 0 CCADLP CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449658803 528835639 /nfs/dbraw/zinc/83/56/39/528835639.db2.gz UMTPQUXSEXAPSP-VHSXEESVSA-N 2 2 263.332 0.865 20 0 CCADLP CCCn1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cn1 ZINC000358164107 528845067 /nfs/dbraw/zinc/84/50/67/528845067.db2.gz MWTIZVAFKJJKML-CYBMUJFWSA-N 2 2 252.362 0.449 20 0 CCADLP CCCn1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cn1 ZINC000358164107 528845073 /nfs/dbraw/zinc/84/50/73/528845073.db2.gz MWTIZVAFKJJKML-CYBMUJFWSA-N 2 2 252.362 0.449 20 0 CCADLP Cn1ncc2c1nc[nH+]c2N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672324966 545267698 /nfs/dbraw/zinc/26/76/98/545267698.db2.gz WYPNOLZOCSMQMX-SECBINFHSA-N 2 2 269.312 0.987 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672154642 545263822 /nfs/dbraw/zinc/26/38/22/545263822.db2.gz MWCWGDQWHMSPRC-LLVKDONJSA-N 2 2 250.346 0.656 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672154642 545263823 /nfs/dbraw/zinc/26/38/23/545263823.db2.gz MWCWGDQWHMSPRC-LLVKDONJSA-N 2 2 250.346 0.656 20 0 CCADLP CCC([NH3+])(CC)CNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000418435666 528926148 /nfs/dbraw/zinc/92/61/48/528926148.db2.gz HWSJVABRQQAGFT-UHFFFAOYSA-N 2 2 286.420 0.478 20 0 CCADLP CCC[C@@H]([NH3+])C(=O)N1CC[N@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000423886214 528963819 /nfs/dbraw/zinc/96/38/19/528963819.db2.gz FDYWRSJOYWFKCQ-NWDGAFQWSA-N 2 2 285.388 0.210 20 0 CCADLP CCC[C@@H]([NH3+])C(=O)N1CC[N@@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000423886214 528963823 /nfs/dbraw/zinc/96/38/23/528963823.db2.gz FDYWRSJOYWFKCQ-NWDGAFQWSA-N 2 2 285.388 0.210 20 0 CCADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)COCC(=O)OC)C1 ZINC000449087866 529059142 /nfs/dbraw/zinc/05/91/42/529059142.db2.gz ADNRTZZQWGNECK-NWDGAFQWSA-N 2 2 258.362 0.638 20 0 CCADLP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)COCC(=O)OC)C1 ZINC000449087866 529059145 /nfs/dbraw/zinc/05/91/45/529059145.db2.gz ADNRTZZQWGNECK-NWDGAFQWSA-N 2 2 258.362 0.638 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)[C@@H]2CCCC[C@H]2O)CC1 ZINC000426205415 529130588 /nfs/dbraw/zinc/13/05/88/529130588.db2.gz WLZFGHVTGIVIOM-RBSFLKMASA-N 2 2 297.443 0.774 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)[C@@H]2CCCC[C@H]2O)CC1 ZINC000426205415 529130589 /nfs/dbraw/zinc/13/05/89/529130589.db2.gz WLZFGHVTGIVIOM-RBSFLKMASA-N 2 2 297.443 0.774 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)[C@H]2CCC[C@@H]2O)CC1 ZINC000352661537 529132469 /nfs/dbraw/zinc/13/24/69/529132469.db2.gz TWLWAXKVZWNHCG-IHRRRGAJSA-N 2 2 283.416 0.384 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)[C@H]2CCC[C@@H]2O)CC1 ZINC000352661537 529132471 /nfs/dbraw/zinc/13/24/71/529132471.db2.gz TWLWAXKVZWNHCG-IHRRRGAJSA-N 2 2 283.416 0.384 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)[C@@H]2CCC[C@@H]2O)CC1 ZINC000352661539 529132647 /nfs/dbraw/zinc/13/26/47/529132647.db2.gz TWLWAXKVZWNHCG-MJBXVCDLSA-N 2 2 283.416 0.384 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)[C@@H]2CCC[C@@H]2O)CC1 ZINC000352661539 529132648 /nfs/dbraw/zinc/13/26/48/529132648.db2.gz TWLWAXKVZWNHCG-MJBXVCDLSA-N 2 2 283.416 0.384 20 0 CCADLP CC[C@H](C)NC(=O)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000361430555 529158087 /nfs/dbraw/zinc/15/80/87/529158087.db2.gz QDAMVLRVEVFBGS-GJZGRUSLSA-N 2 2 296.459 0.613 20 0 CCADLP CC[C@H](C)NC(=O)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000361430555 529158091 /nfs/dbraw/zinc/15/80/91/529158091.db2.gz QDAMVLRVEVFBGS-GJZGRUSLSA-N 2 2 296.459 0.613 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000673655734 545290286 /nfs/dbraw/zinc/29/02/86/545290286.db2.gz KSVCSXSLAMAOEZ-CYBMUJFWSA-N 2 2 287.323 0.536 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000673655734 545290287 /nfs/dbraw/zinc/29/02/87/545290287.db2.gz KSVCSXSLAMAOEZ-CYBMUJFWSA-N 2 2 287.323 0.536 20 0 CCADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000456395028 529289375 /nfs/dbraw/zinc/28/93/75/529289375.db2.gz ZICKYOLKYMBTNP-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000456395028 529289379 /nfs/dbraw/zinc/28/93/79/529289379.db2.gz ZICKYOLKYMBTNP-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@H]1C[NH+](CC)CCN1C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000456395028 529289380 /nfs/dbraw/zinc/28/93/80/529289380.db2.gz ZICKYOLKYMBTNP-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@H]1C[NH+](CC)CCN1C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000456395028 529289381 /nfs/dbraw/zinc/28/93/81/529289381.db2.gz ZICKYOLKYMBTNP-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CCNC(=O)CCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000674001370 545298227 /nfs/dbraw/zinc/29/82/27/545298227.db2.gz KIZDBENQYLSHFI-UHFFFAOYSA-N 2 2 298.431 0.045 20 0 CCADLP C[C@H](OCC1CC1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000674001038 545298326 /nfs/dbraw/zinc/29/83/26/545298326.db2.gz CSQUPNMSADZCPQ-ZDUSSCGKSA-N 2 2 297.443 0.944 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2cocn2)CC1 ZINC000674028176 545298753 /nfs/dbraw/zinc/29/87/53/545298753.db2.gz BBBOWKJTIGLSCS-UHFFFAOYSA-N 2 2 295.387 0.500 20 0 CCADLP CCN1CC[NH+](CCCNC(=O)[C@H](C)[NH+](C)C)CC1 ZINC000674245499 545301037 /nfs/dbraw/zinc/30/10/37/545301037.db2.gz NXYPDNMATDGFPI-ZDUSSCGKSA-N 2 2 270.421 0.080 20 0 CCADLP CC1(C)NC(=O)N(CCC[N@@H+]2CCC[C@@H]([NH3+])C2)C1=O ZINC000346080342 534978384 /nfs/dbraw/zinc/97/83/84/534978384.db2.gz CTMACTGTIUSNBY-SNVBAGLBSA-N 2 2 268.361 0.130 20 0 CCADLP CC1(C)NC(=O)N(CCC[N@H+]2CCC[C@@H]([NH3+])C2)C1=O ZINC000346080342 534978388 /nfs/dbraw/zinc/97/83/88/534978388.db2.gz CTMACTGTIUSNBY-SNVBAGLBSA-N 2 2 268.361 0.130 20 0 CCADLP C[C@@H](NC(=O)[C@H](C)[NH+](C)C)[C@H](C)[NH+]1CCOCC1 ZINC000674287375 545302650 /nfs/dbraw/zinc/30/26/50/545302650.db2.gz ADTZTBMXVWCXJD-WOPDTQHZSA-N 2 2 257.378 0.162 20 0 CCADLP C[C@@H](C(=O)NCCCNc1cccc[nH+]1)[NH+](C)C ZINC000674288546 545302686 /nfs/dbraw/zinc/30/26/86/545302686.db2.gz IMUJNZSSEGCRDX-NSHDSACASA-N 2 2 250.346 0.950 20 0 CCADLP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+](C)C ZINC000674289962 545303242 /nfs/dbraw/zinc/30/32/42/545303242.db2.gz YPOXCCICDFMJGI-ZFWWWQNUSA-N 3 2 296.459 0.563 20 0 CCADLP C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+](C)C ZINC000674289962 545303243 /nfs/dbraw/zinc/30/32/43/545303243.db2.gz YPOXCCICDFMJGI-ZFWWWQNUSA-N 3 2 296.459 0.563 20 0 CCADLP C[C@@H](C(=O)N(C)CCC[NH+]1CCN(C)CC1)[NH+](C)C ZINC000674246079 545301194 /nfs/dbraw/zinc/30/11/94/545301194.db2.gz BXZKAZMKIYIFHJ-ZDUSSCGKSA-N 2 2 270.421 0.032 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000347617323 535111963 /nfs/dbraw/zinc/11/19/63/535111963.db2.gz UPYPNJKFEIVHNM-RYUDHWBXSA-N 2 2 287.429 0.122 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000347617323 535111966 /nfs/dbraw/zinc/11/19/66/535111966.db2.gz UPYPNJKFEIVHNM-RYUDHWBXSA-N 2 2 287.429 0.122 20 0 CCADLP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C)C[C@H]1C[NH3+] ZINC000514924369 535240382 /nfs/dbraw/zinc/24/03/82/535240382.db2.gz FGMIGNSRFQGQGQ-UONOGXRCSA-N 3 2 299.463 0.391 20 0 CCADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C)C[C@H]1C[NH3+] ZINC000514924369 535240395 /nfs/dbraw/zinc/24/03/95/535240395.db2.gz FGMIGNSRFQGQGQ-UONOGXRCSA-N 3 2 299.463 0.391 20 0 CCADLP CCCC[NH+](C)C[C@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000514924369 535240397 /nfs/dbraw/zinc/24/03/97/535240397.db2.gz FGMIGNSRFQGQGQ-UONOGXRCSA-N 3 2 299.463 0.391 20 0 CCADLP CCCC[NH+](C)C[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000514924369 535240402 /nfs/dbraw/zinc/24/04/02/535240402.db2.gz FGMIGNSRFQGQGQ-UONOGXRCSA-N 3 2 299.463 0.391 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000675103643 545321833 /nfs/dbraw/zinc/32/18/33/545321833.db2.gz ZKNDMEDMFCDBTQ-DYEKYZERSA-N 2 2 275.400 0.997 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000675103643 545321834 /nfs/dbraw/zinc/32/18/34/545321834.db2.gz ZKNDMEDMFCDBTQ-DYEKYZERSA-N 2 2 275.400 0.997 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000675103645 545321862 /nfs/dbraw/zinc/32/18/62/545321862.db2.gz ZKNDMEDMFCDBTQ-YRGRVCCFSA-N 2 2 275.400 0.997 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000675103645 545321863 /nfs/dbraw/zinc/32/18/63/545321863.db2.gz ZKNDMEDMFCDBTQ-YRGRVCCFSA-N 2 2 275.400 0.997 20 0 CCADLP CCCC[C@@H](COC)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000675781843 545331405 /nfs/dbraw/zinc/33/14/05/545331405.db2.gz DJQFCIMFFOZCQA-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP C[C@@H](Nc1[nH+]cnc2c1cnn2C)[C@@H]1C[N@H+](C)CCO1 ZINC000676315179 545341451 /nfs/dbraw/zinc/34/14/51/545341451.db2.gz ZCGVANZLMVTHAJ-KOLCDFICSA-N 2 2 276.344 0.494 20 0 CCADLP C[C@@H](Nc1[nH+]cnc2c1cnn2C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676315179 545341452 /nfs/dbraw/zinc/34/14/52/545341452.db2.gz ZCGVANZLMVTHAJ-KOLCDFICSA-N 2 2 276.344 0.494 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccon2)CC1 ZINC000349235039 535640554 /nfs/dbraw/zinc/64/05/54/535640554.db2.gz FTTHFYXBJIBSIA-RYUDHWBXSA-N 2 2 280.372 0.878 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000677116782 545358039 /nfs/dbraw/zinc/35/80/39/545358039.db2.gz AFQPVXACXYUEDD-LBPRGKRZSA-N 2 2 271.324 0.673 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@@H](C)[NH+]2CCSCC2)C[C@H]1C ZINC000677181556 545360325 /nfs/dbraw/zinc/36/03/25/545360325.db2.gz ATZNZACXPLBURH-CHWSQXEVSA-N 2 2 285.457 0.976 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@@H](C)[NH+]2CCSCC2)C[C@H]1C ZINC000677181556 545360326 /nfs/dbraw/zinc/36/03/26/545360326.db2.gz ATZNZACXPLBURH-CHWSQXEVSA-N 2 2 285.457 0.976 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC000677195516 545360629 /nfs/dbraw/zinc/36/06/29/545360629.db2.gz ODPYRONAAMFTQY-GJZGRUSLSA-N 2 2 296.459 0.565 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC000677195516 545360630 /nfs/dbraw/zinc/36/06/30/545360630.db2.gz ODPYRONAAMFTQY-GJZGRUSLSA-N 2 2 296.459 0.565 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@@H](Cn2cncn2)C1 ZINC000677818177 545373383 /nfs/dbraw/zinc/37/33/83/545373383.db2.gz WCQQPVXNOQHSBO-CQSZACIVSA-N 2 2 290.371 0.574 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@@H](Cn2cncn2)C1 ZINC000677818177 545373384 /nfs/dbraw/zinc/37/33/84/545373384.db2.gz WCQQPVXNOQHSBO-CQSZACIVSA-N 2 2 290.371 0.574 20 0 CCADLP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2COCC[NH2+]2)cc1F ZINC000423852460 536010380 /nfs/dbraw/zinc/01/03/80/536010380.db2.gz VOSWMVLTZNKPPG-AWEZNQCLSA-N 2 2 295.358 0.492 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000677986926 545380795 /nfs/dbraw/zinc/38/07/95/545380795.db2.gz XZFCLCQUVCQNPE-INIZCTEOSA-N 3 2 291.443 0.903 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000677986926 545380796 /nfs/dbraw/zinc/38/07/96/545380796.db2.gz XZFCLCQUVCQNPE-INIZCTEOSA-N 3 2 291.443 0.903 20 0 CCADLP Cc1[nH+]ccn1CCN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000677986926 545380797 /nfs/dbraw/zinc/38/07/97/545380797.db2.gz XZFCLCQUVCQNPE-INIZCTEOSA-N 2 2 291.443 0.903 20 0 CCADLP Cc1[nH+]ccn1CCN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000677986926 545380798 /nfs/dbraw/zinc/38/07/98/545380798.db2.gz XZFCLCQUVCQNPE-INIZCTEOSA-N 2 2 291.443 0.903 20 0 CCADLP CN(Cc1[nH+]ccn1C)c1nc(N2CCOCC2)cc[nH+]1 ZINC000678063541 545383168 /nfs/dbraw/zinc/38/31/68/545383168.db2.gz UOVOYIMPQZJJGV-UHFFFAOYSA-N 2 2 288.355 0.683 20 0 CCADLP c1n[nH]cc1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000678280722 545388210 /nfs/dbraw/zinc/38/82/10/545388210.db2.gz XNBGSIKOEHYUKM-LBPRGKRZSA-N 2 2 250.346 0.564 20 0 CCADLP c1n[nH]cc1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000678280722 545388211 /nfs/dbraw/zinc/38/82/11/545388211.db2.gz XNBGSIKOEHYUKM-LBPRGKRZSA-N 2 2 250.346 0.564 20 0 CCADLP CNS(=O)(=O)[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000362237858 536304526 /nfs/dbraw/zinc/30/45/26/536304526.db2.gz KMCWYWHXYCQPAF-GFCCVEGCSA-N 2 2 286.401 0.287 20 0 CCADLP CNS(=O)(=O)[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000362237858 536304529 /nfs/dbraw/zinc/30/45/29/536304529.db2.gz KMCWYWHXYCQPAF-GFCCVEGCSA-N 2 2 286.401 0.287 20 0 CCADLP C[N@H+](C[C@H](O)Cc1ccccc1)C1CC[NH+](CCO)CC1 ZINC000343133475 536442948 /nfs/dbraw/zinc/44/29/48/536442948.db2.gz OQWRWHBLWQJUCG-QGZVFWFLSA-N 2 2 292.423 0.979 20 0 CCADLP C[N@@H+](C[C@H](O)Cc1ccccc1)C1CC[NH+](CCO)CC1 ZINC000343133475 536442949 /nfs/dbraw/zinc/44/29/49/536442949.db2.gz OQWRWHBLWQJUCG-QGZVFWFLSA-N 2 2 292.423 0.979 20 0 CCADLP C[NH2+]CCC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000261974651 536443861 /nfs/dbraw/zinc/44/38/61/536443861.db2.gz FKHYBUQDDSIZAS-UHFFFAOYSA-N 2 2 262.357 0.908 20 0 CCADLP COC[C@@H]([NH3+])C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000262351319 536660845 /nfs/dbraw/zinc/66/08/45/536660845.db2.gz UNTYWSKFBRYCGV-GFCCVEGCSA-N 2 2 292.314 0.601 20 0 CCADLP COC(=O)c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000261717178 536674834 /nfs/dbraw/zinc/67/48/34/536674834.db2.gz JWSWMGSNAIDTDQ-AAEUAGOBSA-N 2 2 275.352 0.910 20 0 CCADLP COC(=O)c1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000261717178 536674839 /nfs/dbraw/zinc/67/48/39/536674839.db2.gz JWSWMGSNAIDTDQ-AAEUAGOBSA-N 2 2 275.352 0.910 20 0 CCADLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]C2CSC2)C1=O ZINC000680002696 545421667 /nfs/dbraw/zinc/42/16/67/545421667.db2.gz NWIVRSXMDDIDGD-NSHDSACASA-N 2 2 280.397 0.616 20 0 CCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C1CCSCC1 ZINC000681738935 545460769 /nfs/dbraw/zinc/46/07/69/545460769.db2.gz QCVAKQPBBIBANG-GFCCVEGCSA-N 2 2 285.457 0.882 20 0 CCADLP CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000682501369 545481124 /nfs/dbraw/zinc/48/11/24/545481124.db2.gz STGGGULRIHOEEI-ZIAGYGMSSA-N 2 2 288.395 0.998 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@@H]1C ZINC000682516082 545481849 /nfs/dbraw/zinc/48/18/49/545481849.db2.gz IOIZHMNQFJXPBY-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@@H]1C ZINC000682516082 545481850 /nfs/dbraw/zinc/48/18/50/545481850.db2.gz IOIZHMNQFJXPBY-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP COC[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+]1CCC[C@H]1COC ZINC000683666581 545555458 /nfs/dbraw/zinc/55/54/58/545555458.db2.gz BXTMROYLCHBQSW-FICVDOATSA-N 2 2 286.416 0.569 20 0 CCADLP COC[C@H]1CCC[N@H+]1C[C@H](O)C[NH+]1CCC[C@H]1COC ZINC000683666581 545555462 /nfs/dbraw/zinc/55/54/62/545555462.db2.gz BXTMROYLCHBQSW-FICVDOATSA-N 2 2 286.416 0.569 20 0 CCADLP COC[C@H]1CCC[NH+]1C[C@H](O)C[N@@H+]1CCC[C@H]1COC ZINC000683666581 545555468 /nfs/dbraw/zinc/55/54/68/545555468.db2.gz BXTMROYLCHBQSW-FICVDOATSA-N 2 2 286.416 0.569 20 0 CCADLP COC[C@H]1CCC[NH+]1C[C@H](O)C[N@H+]1CCC[C@H]1COC ZINC000683666581 545555472 /nfs/dbraw/zinc/55/54/72/545555472.db2.gz BXTMROYLCHBQSW-FICVDOATSA-N 2 2 286.416 0.569 20 0 CCADLP C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000683895061 545578191 /nfs/dbraw/zinc/57/81/91/545578191.db2.gz AXNWAVDLGUMWBW-NSHDSACASA-N 2 2 279.388 0.835 20 0 CCADLP Cn1c[nH+]c(CN2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000683898896 545579142 /nfs/dbraw/zinc/57/91/42/545579142.db2.gz UPSUEASFIBLWQR-ZDUSSCGKSA-N 2 2 264.373 0.574 20 0 CCADLP C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)c2c[nH]c[nH+]2)C1 ZINC000683918870 545585577 /nfs/dbraw/zinc/58/55/77/545585577.db2.gz XWOQOLXEJPRRJM-JTQLQIEISA-N 2 2 250.346 0.755 20 0 CCADLP C[N@H+]1CC[C@@H](CNC(=O)C(C)(C)c2c[nH]c[nH+]2)C1 ZINC000683918870 545585581 /nfs/dbraw/zinc/58/55/81/545585581.db2.gz XWOQOLXEJPRRJM-JTQLQIEISA-N 2 2 250.346 0.755 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cnc2ccccn12 ZINC000131552127 581145925 /nfs/dbraw/zinc/14/59/25/581145925.db2.gz GAQOFTHHTOPMDV-CQSZACIVSA-N 2 2 262.357 0.737 20 0 CCADLP CC[N@H+](C[C@@H](O)C[NH+]1CCCC1)C[C@H](O)C(F)(F)F ZINC000778196121 581144778 /nfs/dbraw/zinc/14/47/78/581144778.db2.gz BVFOUFMAUYPPHQ-MNOVXSKESA-N 2 2 284.322 0.688 20 0 CCADLP CC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C[C@H](O)C(F)(F)F ZINC000778196121 581144781 /nfs/dbraw/zinc/14/47/81/581144781.db2.gz BVFOUFMAUYPPHQ-MNOVXSKESA-N 2 2 284.322 0.688 20 0 CCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000396467459 581176218 /nfs/dbraw/zinc/17/62/18/581176218.db2.gz UWZRVWZFPUWGIB-ZDUSSCGKSA-N 3 2 282.432 0.080 20 0 CCADLP C[C@H](CCO)[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000779345211 581182219 /nfs/dbraw/zinc/18/22/19/581182219.db2.gz NVMXRRAKITXDHH-OAHLLOKOSA-N 3 2 292.427 0.954 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000726255393 581234023 /nfs/dbraw/zinc/23/40/23/581234023.db2.gz AQAMMIGGQYCOPC-AWEZNQCLSA-N 2 2 298.431 0.443 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000726255393 581234025 /nfs/dbraw/zinc/23/40/25/581234025.db2.gz AQAMMIGGQYCOPC-AWEZNQCLSA-N 2 2 298.431 0.443 20 0 CCADLP COC(=O)[C@H]1CC(=O)N(C[N@H+](C)CCCn2cc[nH+]c2)C1 ZINC000782273593 581295328 /nfs/dbraw/zinc/29/53/28/581295328.db2.gz NTXAAYGIKAHDNO-LBPRGKRZSA-N 2 2 294.355 0.184 20 0 CCADLP COC(=O)[C@H]1CC(=O)N(C[N@@H+](C)CCCn2cc[nH+]c2)C1 ZINC000782273593 581295329 /nfs/dbraw/zinc/29/53/29/581295329.db2.gz NTXAAYGIKAHDNO-LBPRGKRZSA-N 2 2 294.355 0.184 20 0 CCADLP C[NH+](C)CC(C)(C)CNC(=S)NN1CC[NH+](C)CC1 ZINC000727064912 581300949 /nfs/dbraw/zinc/30/09/49/581300949.db2.gz IDOSUBJGDZLEQA-UHFFFAOYSA-N 2 2 287.477 0.201 20 0 CCADLP CCOCC[N@H+](C)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783996335 581369814 /nfs/dbraw/zinc/36/98/14/581369814.db2.gz ZCQMHQOHWDSNDH-LBPRGKRZSA-N 2 2 280.372 0.662 20 0 CCADLP CCOCC[N@@H+](C)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783996335 581369817 /nfs/dbraw/zinc/36/98/17/581369817.db2.gz ZCQMHQOHWDSNDH-LBPRGKRZSA-N 2 2 280.372 0.662 20 0 CCADLP COC[C@H]1CCC[N@@H+]1CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783991366 581369951 /nfs/dbraw/zinc/36/99/51/581369951.db2.gz VVZRIRMSOGIPAK-QWHCGFSZSA-N 2 2 292.383 0.804 20 0 CCADLP COC[C@H]1CCC[N@H+]1CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783991366 581369953 /nfs/dbraw/zinc/36/99/53/581369953.db2.gz VVZRIRMSOGIPAK-QWHCGFSZSA-N 2 2 292.383 0.804 20 0 CCADLP Cc1nc(F)ccc1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000785437083 581409770 /nfs/dbraw/zinc/40/97/70/581409770.db2.gz JCOWYNZAPSLDQX-UHFFFAOYSA-N 2 2 280.347 0.393 20 0 CCADLP CO[C@H]1CC(=O)N(C[N@H+](C)CCCn2cc[nH+]c2)C1 ZINC000787226629 581461708 /nfs/dbraw/zinc/46/17/08/581461708.db2.gz VKFYCFIATHTHDT-LBPRGKRZSA-N 2 2 266.345 0.410 20 0 CCADLP CO[C@H]1CC(=O)N(C[N@@H+](C)CCCn2cc[nH+]c2)C1 ZINC000787226629 581461710 /nfs/dbraw/zinc/46/17/10/581461710.db2.gz VKFYCFIATHTHDT-LBPRGKRZSA-N 2 2 266.345 0.410 20 0 CCADLP CON(C)C(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000788021313 581520088 /nfs/dbraw/zinc/52/00/88/581520088.db2.gz UKAVYVAQHPAUNC-CYBMUJFWSA-N 2 2 285.388 0.050 20 0 CCADLP CON(C)C(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000788021313 581520089 /nfs/dbraw/zinc/52/00/89/581520089.db2.gz UKAVYVAQHPAUNC-CYBMUJFWSA-N 2 2 285.388 0.050 20 0 CCADLP C[N@H+](CCN1C[C@H]2CC[C@@H](C1)O2)[C@@H](C[NH3+])C1CC1 ZINC000420309770 581580396 /nfs/dbraw/zinc/58/03/96/581580396.db2.gz FNEQARLJWJTLPO-MJBXVCDLSA-N 2 2 253.390 0.519 20 0 CCADLP C[N@@H+](CCN1C[C@H]2CC[C@@H](C1)O2)[C@@H](C[NH3+])C1CC1 ZINC000420309770 581580400 /nfs/dbraw/zinc/58/04/00/581580400.db2.gz FNEQARLJWJTLPO-MJBXVCDLSA-N 2 2 253.390 0.519 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000768164563 581646389 /nfs/dbraw/zinc/64/63/89/581646389.db2.gz LQURVAKQHBIKDF-HZSPNIEDSA-N 2 2 286.441 0.649 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000768164563 581646393 /nfs/dbraw/zinc/64/63/93/581646393.db2.gz LQURVAKQHBIKDF-HZSPNIEDSA-N 2 2 286.441 0.649 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC2OCCO2)C1 ZINC000770038374 581727058 /nfs/dbraw/zinc/72/70/58/581727058.db2.gz MLFJTHRODSBZGC-NSHDSACASA-N 2 2 251.330 0.972 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC2OCCO2)C1 ZINC000770038374 581727061 /nfs/dbraw/zinc/72/70/61/581727061.db2.gz MLFJTHRODSBZGC-NSHDSACASA-N 2 2 251.330 0.972 20 0 CCADLP C[N@H+](CC1CC[NH+](C)CC1)Cn1nc2n(c1=O)CCCC2 ZINC000758327795 581737817 /nfs/dbraw/zinc/73/78/17/581737817.db2.gz ZVBHPBJJHWAYJV-UHFFFAOYSA-N 2 2 293.415 0.612 20 0 CCADLP C[N@@H+](CC1CC[NH+](C)CC1)Cn1nc2n(c1=O)CCCC2 ZINC000758327795 581737820 /nfs/dbraw/zinc/73/78/20/581737820.db2.gz ZVBHPBJJHWAYJV-UHFFFAOYSA-N 2 2 293.415 0.612 20 0 CCADLP CCS(=O)(=O)CC[N@H+](C)CCCn1cc[nH+]c1C ZINC000762928038 581741303 /nfs/dbraw/zinc/74/13/03/581741303.db2.gz ZSHKLPSKUNRKNN-UHFFFAOYSA-N 2 2 273.402 0.948 20 0 CCADLP CCS(=O)(=O)CC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000762928038 581741306 /nfs/dbraw/zinc/74/13/06/581741306.db2.gz ZSHKLPSKUNRKNN-UHFFFAOYSA-N 2 2 273.402 0.948 20 0 CCADLP CC(C)[C@H](C[NH+](C)C)NC(=O)CCn1cc[nH+]c1 ZINC000732308006 581819389 /nfs/dbraw/zinc/81/93/89/581819389.db2.gz QFBIIRSFELOFBW-LBPRGKRZSA-N 2 2 252.362 0.976 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCS2(=O)=O)CC[N@@H+]1C ZINC000156159349 581876200 /nfs/dbraw/zinc/87/62/00/581876200.db2.gz UEYKUEFCSGPMOG-UTUOFQBUSA-N 2 2 260.403 0.636 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCS2(=O)=O)CC[N@H+]1C ZINC000156159349 581876202 /nfs/dbraw/zinc/87/62/02/581876202.db2.gz UEYKUEFCSGPMOG-UTUOFQBUSA-N 2 2 260.403 0.636 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CCC2OCCCO2)CC1 ZINC000760875813 581877414 /nfs/dbraw/zinc/87/74/14/581877414.db2.gz NVEZXLZERGAPII-UHFFFAOYSA-N 2 2 280.372 0.695 20 0 CCADLP Cc1nnc([C@@H]2CCC[N@H+](C[C@H](O)C[NH+]3CCCC3)C2)[nH]1 ZINC000760958092 581881179 /nfs/dbraw/zinc/88/11/79/581881179.db2.gz FJBPDAXJVXDTKR-ZIAGYGMSSA-N 2 2 293.415 0.749 20 0 CCADLP Cc1nnc([C@@H]2CCC[N@@H+](C[C@H](O)C[NH+]3CCCC3)C2)[nH]1 ZINC000760958092 581881180 /nfs/dbraw/zinc/88/11/80/581881180.db2.gz FJBPDAXJVXDTKR-ZIAGYGMSSA-N 2 2 293.415 0.749 20 0 CCADLP Cc1n[nH]c([C@@H]2CCC[N@H+](C[C@H](O)C[NH+]3CCCC3)C2)n1 ZINC000760958092 581881182 /nfs/dbraw/zinc/88/11/82/581881182.db2.gz FJBPDAXJVXDTKR-ZIAGYGMSSA-N 2 2 293.415 0.749 20 0 CCADLP Cc1n[nH]c([C@@H]2CCC[N@@H+](C[C@H](O)C[NH+]3CCCC3)C2)n1 ZINC000760958092 581881185 /nfs/dbraw/zinc/88/11/85/581881185.db2.gz FJBPDAXJVXDTKR-ZIAGYGMSSA-N 2 2 293.415 0.749 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)CCO1 ZINC000745792696 581885845 /nfs/dbraw/zinc/88/58/45/581885845.db2.gz RFBQFNOXFSVLLN-BFHYXJOUSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)CCO1 ZINC000745792696 581885848 /nfs/dbraw/zinc/88/58/48/581885848.db2.gz RFBQFNOXFSVLLN-BFHYXJOUSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CCO1 ZINC000745792696 581885849 /nfs/dbraw/zinc/88/58/49/581885849.db2.gz RFBQFNOXFSVLLN-BFHYXJOUSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCO1 ZINC000745792696 581885852 /nfs/dbraw/zinc/88/58/52/581885852.db2.gz RFBQFNOXFSVLLN-BFHYXJOUSA-N 2 2 298.431 0.489 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H]3C[C@H]32)CC1 ZINC000761086554 581887415 /nfs/dbraw/zinc/88/74/15/581887415.db2.gz DLCQLZSJZRPGEG-RWMBFGLXSA-N 2 2 251.374 0.633 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H]3C[C@H]32)CC1 ZINC000761086554 581887416 /nfs/dbraw/zinc/88/74/16/581887416.db2.gz DLCQLZSJZRPGEG-RWMBFGLXSA-N 2 2 251.374 0.633 20 0 CCADLP O=CN1CCC([NH2+][C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000774174014 581962900 /nfs/dbraw/zinc/96/29/00/581962900.db2.gz NDKLPLQKJMOMEP-AWEZNQCLSA-N 2 2 251.374 0.681 20 0 CCADLP O=CN1CCC([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000774174014 581962903 /nfs/dbraw/zinc/96/29/03/581962903.db2.gz NDKLPLQKJMOMEP-AWEZNQCLSA-N 2 2 251.374 0.681 20 0 CCADLP CON(C)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000774660889 581987232 /nfs/dbraw/zinc/98/72/32/581987232.db2.gz BMFJCLYVASVSRD-NWDGAFQWSA-N 2 2 255.362 0.422 20 0 CCADLP CON(C)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000774660889 581987233 /nfs/dbraw/zinc/98/72/33/581987233.db2.gz BMFJCLYVASVSRD-NWDGAFQWSA-N 2 2 255.362 0.422 20 0 CCADLP CON(C)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000774660889 581987234 /nfs/dbraw/zinc/98/72/34/581987234.db2.gz BMFJCLYVASVSRD-NWDGAFQWSA-N 2 2 255.362 0.422 20 0 CCADLP CON(C)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000774660889 581987236 /nfs/dbraw/zinc/98/72/36/581987236.db2.gz BMFJCLYVASVSRD-NWDGAFQWSA-N 2 2 255.362 0.422 20 0 CCADLP COC(=O)/C(C)=C\C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000748824012 581989630 /nfs/dbraw/zinc/98/96/30/581989630.db2.gz GYIHWDYJWJDFGB-CRAFIKPXSA-N 2 2 282.384 0.760 20 0 CCADLP COC(=O)/C(C)=C\C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000748824012 581989631 /nfs/dbraw/zinc/98/96/31/581989631.db2.gz GYIHWDYJWJDFGB-CRAFIKPXSA-N 2 2 282.384 0.760 20 0 CCADLP C[C@@H]1C[N@H+](CN2CCCC2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000763331363 581995706 /nfs/dbraw/zinc/99/57/06/581995706.db2.gz DDGFCSBUBJPNGX-HUUCEWRRSA-N 2 2 294.443 0.524 20 0 CCADLP C[C@@H]1C[N@@H+](CN2CCCC2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000763331363 581995707 /nfs/dbraw/zinc/99/57/07/581995707.db2.gz DDGFCSBUBJPNGX-HUUCEWRRSA-N 2 2 294.443 0.524 20 0 CCADLP NS(=O)(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000749515019 582010990 /nfs/dbraw/zinc/01/09/90/582010990.db2.gz JKLPORSEJGZILC-DGCLKSJQSA-N 2 2 287.429 0.224 20 0 CCADLP NS(=O)(=O)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000749515019 582010991 /nfs/dbraw/zinc/01/09/91/582010991.db2.gz JKLPORSEJGZILC-DGCLKSJQSA-N 2 2 287.429 0.224 20 0 CCADLP NS(=O)(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000749515019 582010993 /nfs/dbraw/zinc/01/09/93/582010993.db2.gz JKLPORSEJGZILC-DGCLKSJQSA-N 2 2 287.429 0.224 20 0 CCADLP NS(=O)(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000749515019 582010994 /nfs/dbraw/zinc/01/09/94/582010994.db2.gz JKLPORSEJGZILC-DGCLKSJQSA-N 2 2 287.429 0.224 20 0 CCADLP COc1ccc(C[N@H+](C)C[C@H](O)C[NH+]2CCCC2)cn1 ZINC000764372319 582043850 /nfs/dbraw/zinc/04/38/50/582043850.db2.gz IUNMCHUTCXWEIF-AWEZNQCLSA-N 2 2 279.384 0.979 20 0 CCADLP COc1ccc(C[N@@H+](C)C[C@H](O)C[NH+]2CCCC2)cn1 ZINC000764372319 582043851 /nfs/dbraw/zinc/04/38/51/582043851.db2.gz IUNMCHUTCXWEIF-AWEZNQCLSA-N 2 2 279.384 0.979 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=S)NCCC[NH+](C)C)CCO1 ZINC000751014880 582067626 /nfs/dbraw/zinc/06/76/26/582067626.db2.gz NIEVKGGFRIXDLB-LBPRGKRZSA-N 2 2 288.461 0.123 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=S)NCCC[NH+](C)C)CCO1 ZINC000751014880 582067627 /nfs/dbraw/zinc/06/76/27/582067627.db2.gz NIEVKGGFRIXDLB-LBPRGKRZSA-N 2 2 288.461 0.123 20 0 CCADLP O=C(NCCn1cc[nH+]c1)c1cccc2[nH+]ccn21 ZINC000776747901 582088634 /nfs/dbraw/zinc/08/86/34/582088634.db2.gz QLYXMXLHOAKVTO-UHFFFAOYSA-N 2 2 255.281 0.961 20 0 CCADLP C[C@H](O)C[NH2+]C1CCC(N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000964054269 649916390 /nfs/dbraw/zinc/91/63/90/649916390.db2.gz LFZMEWKFLBOSPV-HIFPTAJRSA-N 2 2 294.399 0.692 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC1CC2(C1)CC([NH2+]CCO)C2 ZINC000965886633 649939109 /nfs/dbraw/zinc/93/91/09/649939109.db2.gz RMYJSANGIVDCPL-UHFFFAOYSA-N 2 2 292.383 0.270 20 0 CCADLP c1sc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1-c1nn[nH]n1 ZINC000826527063 608858979 /nfs/dbraw/zinc/85/89/79/608858979.db2.gz XQXUJDLIFZPQJY-UWVGGRQHSA-N 2 2 276.369 0.579 20 0 CCADLP CCCCNc1cc(NCC[N@H+](C)CCO)nc(N)[nH+]1 ZINC000884825408 614430152 /nfs/dbraw/zinc/43/01/52/614430152.db2.gz VLPKEFZEKCWGSX-UHFFFAOYSA-N 2 2 282.392 0.607 20 0 CCADLP CCCCNc1cc(NCC[N@@H+](C)CCO)nc(N)[nH+]1 ZINC000884825408 614430155 /nfs/dbraw/zinc/43/01/55/614430155.db2.gz VLPKEFZEKCWGSX-UHFFFAOYSA-N 2 2 282.392 0.607 20 0 CCADLP CS[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH+](C)C ZINC000901230849 617268804 /nfs/dbraw/zinc/26/88/04/617268804.db2.gz SFOCCMVFSQRYCN-WDEREUQCSA-N 2 2 268.386 0.456 20 0 CCADLP COc1cccc(OC)c1OC[C@@H](O)C[N@H+](C)[C@H](C)C[NH3+] ZINC000923292049 617306157 /nfs/dbraw/zinc/30/61/57/617306157.db2.gz WSFKAXPILBVQCR-NEPJUHHUSA-N 2 2 298.383 0.723 20 0 CCADLP COc1cccc(OC)c1OC[C@@H](O)C[N@@H+](C)[C@H](C)C[NH3+] ZINC000923292049 617306158 /nfs/dbraw/zinc/30/61/58/617306158.db2.gz WSFKAXPILBVQCR-NEPJUHHUSA-N 2 2 298.383 0.723 20 0 CCADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000876724032 613209975 /nfs/dbraw/zinc/20/99/75/613209975.db2.gz LPNFNBVCRCSACB-JXABGOGHSA-N 2 2 281.400 0.235 20 0 CCADLP C([NH2+][C@@H]1C[NH2+]CCOC1)[C@]12C[C@H]1COC21CCC1 ZINC000902459580 613222694 /nfs/dbraw/zinc/22/26/94/613222694.db2.gz CHKBWKAIJZYMCS-YNEHKIRRSA-N 2 2 252.358 0.524 20 0 CCADLP C(CC[NH2+][C@@H]1CC[NH2+]C12CCC2)CC[NH+]1CCNCC1 ZINC000925844134 613224719 /nfs/dbraw/zinc/22/47/19/613224719.db2.gz WGIGUQKQMPXHIV-OAHLLOKOSA-N 3 2 280.460 0.936 20 0 CCADLP C1COC2(CCC([NH2+][C@H]3C[NH2+]CCOC3)CC2)O1 ZINC000925615271 613228875 /nfs/dbraw/zinc/22/88/75/613228875.db2.gz YNMFNDOQVUUZPV-LBPRGKRZSA-N 2 2 256.346 0.250 20 0 CCADLP C(CO[C@H]1CCOC1)[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000925873524 613230490 /nfs/dbraw/zinc/23/04/90/613230490.db2.gz AWXDPSGVTAGDLY-IHRRRGAJSA-N 2 2 270.373 0.149 20 0 CCADLP C/C(=C/C(=O)NCC1([NH+](C)C)CC1)C[NH+]1CCOCC1 ZINC000910931969 613236150 /nfs/dbraw/zinc/23/61/50/613236150.db2.gz UBQMTBLPJWPNPI-RAXLEYEMSA-N 2 2 281.400 0.475 20 0 CCADLP C/C(=C\C(=O)N1CC[NH+](C(C)C)CC1)C[NH+]1CCOCC1 ZINC000900135613 613250645 /nfs/dbraw/zinc/25/06/45/613250645.db2.gz VVZOCUAPVOZLKE-NTCAYCPXSA-N 2 2 295.427 0.818 20 0 CCADLP C/C(=C\C(=O)NCC[C@H](C)[NH+](C)C)C[NH+]1CCOCC1 ZINC000912387838 613256252 /nfs/dbraw/zinc/25/62/52/613256252.db2.gz CFJZUCILNROZKS-CMPYXILNSA-N 2 2 283.416 0.721 20 0 CCADLP CC(=O)N1C[C@@H]2C[N@H+](CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC000880312564 613629467 /nfs/dbraw/zinc/62/94/67/613629467.db2.gz QVCJWDAXIIMLTA-BETUJISGSA-N 2 2 262.357 0.373 20 0 CCADLP CC(=O)N1C[C@@H]2C[N@@H+](CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC000880312564 613629470 /nfs/dbraw/zinc/62/94/70/613629470.db2.gz QVCJWDAXIIMLTA-BETUJISGSA-N 2 2 262.357 0.373 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000869233153 613936492 /nfs/dbraw/zinc/93/64/92/613936492.db2.gz CKLBXBZNUHPWPG-NNTXTVRGSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@H](NC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000869233153 613936495 /nfs/dbraw/zinc/93/64/95/613936495.db2.gz CKLBXBZNUHPWPG-NNTXTVRGSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)OCC[C@@H](O)C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869219 614023237 /nfs/dbraw/zinc/02/32/37/614023237.db2.gz DSHHWLMUIBAROR-KGLIPLIRSA-N 2 2 256.390 0.990 20 0 CCADLP CC(C)OCC[C@@H](O)C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869219 614023240 /nfs/dbraw/zinc/02/32/40/614023240.db2.gz DSHHWLMUIBAROR-KGLIPLIRSA-N 2 2 256.390 0.990 20 0 CCADLP CC(C)[C@H](C(=O)N1CC[N@H+](C)[C@H](CO)C1)[NH+]1CCCCC1 ZINC000913550987 614188310 /nfs/dbraw/zinc/18/83/10/614188310.db2.gz GJJMVIFXRSJYAA-LSDHHAIUSA-N 2 2 297.443 0.632 20 0 CCADLP CC(C)[C@H](C(=O)N1CC[N@@H+](C)[C@H](CO)C1)[NH+]1CCCCC1 ZINC000913550987 614188312 /nfs/dbraw/zinc/18/83/12/614188312.db2.gz GJJMVIFXRSJYAA-LSDHHAIUSA-N 2 2 297.443 0.632 20 0 CCADLP CC(C)[C@H](C(=O)N1CC[NH+](CCCO)CC1)[NH+]1CCCC1 ZINC000957782543 614188388 /nfs/dbraw/zinc/18/83/88/614188388.db2.gz HTGRAIYJEQHKIN-OAHLLOKOSA-N 2 2 297.443 0.633 20 0 CCADLP CC(=O)OC1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000878294486 614215049 /nfs/dbraw/zinc/21/50/49/614215049.db2.gz CDBWHNRFHFEGBE-UHFFFAOYSA-N 2 2 251.330 0.990 20 0 CCADLP CC(C)[C@H]1COCC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000924839702 614274738 /nfs/dbraw/zinc/27/47/38/614274738.db2.gz OHUMQFDWKPQGEO-ZIAGYGMSSA-N 2 2 283.416 0.411 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000900002755 614326457 /nfs/dbraw/zinc/32/64/57/614326457.db2.gz YXMOSYVCTGZURO-UHFFFAOYSA-N 2 2 250.346 0.941 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000932127573 614339294 /nfs/dbraw/zinc/33/92/94/614339294.db2.gz XBNUXUVOAOIOJH-ZIAGYGMSSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000932127573 614339297 /nfs/dbraw/zinc/33/92/97/614339297.db2.gz XBNUXUVOAOIOJH-ZIAGYGMSSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000825525871 614353698 /nfs/dbraw/zinc/35/36/98/614353698.db2.gz BXLCLWHAHWBAIG-RYUDHWBXSA-N 2 2 280.372 0.443 20 0 CCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000825525871 614353700 /nfs/dbraw/zinc/35/37/00/614353700.db2.gz BXLCLWHAHWBAIG-RYUDHWBXSA-N 2 2 280.372 0.443 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000868809190 614382954 /nfs/dbraw/zinc/38/29/54/614382954.db2.gz GXJKLNZUBXWJCU-CMPLNLGQSA-N 2 2 266.345 0.384 20 0 CCADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000868809190 614382955 /nfs/dbraw/zinc/38/29/55/614382955.db2.gz GXJKLNZUBXWJCU-CMPLNLGQSA-N 2 2 266.345 0.384 20 0 CCADLP CCCCOC(=O)CC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000879352970 614431034 /nfs/dbraw/zinc/43/10/34/614431034.db2.gz JDTAXICLLWEQKR-UHFFFAOYSA-N 2 2 299.415 0.426 20 0 CCADLP CCCCOC(=O)CC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000879352970 614431036 /nfs/dbraw/zinc/43/10/36/614431036.db2.gz JDTAXICLLWEQKR-UHFFFAOYSA-N 2 2 299.415 0.426 20 0 CCADLP CCCCOC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000842475248 614443839 /nfs/dbraw/zinc/44/38/39/614443839.db2.gz NRGUXKQUHFDLQW-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP CCCCOC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000842475248 614443841 /nfs/dbraw/zinc/44/38/41/614443841.db2.gz NRGUXKQUHFDLQW-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP CC1(C)CC[NH2+]CCN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000872296890 614549972 /nfs/dbraw/zinc/54/99/72/614549972.db2.gz AVDMRSPWZGQJRC-UHFFFAOYSA-N 2 2 277.372 0.270 20 0 CCADLP CCC[N@H+](C[C@@H](O)Cn1cccn1)[C@@H]1CC[NH2+]C1 ZINC000923285978 614584729 /nfs/dbraw/zinc/58/47/29/614584729.db2.gz KKZPKRLAMGKRNF-CHWSQXEVSA-N 2 2 252.362 0.318 20 0 CCADLP CCC[N@@H+](C[C@@H](O)Cn1cccn1)[C@@H]1CC[NH2+]C1 ZINC000923285978 614584730 /nfs/dbraw/zinc/58/47/30/614584730.db2.gz KKZPKRLAMGKRNF-CHWSQXEVSA-N 2 2 252.362 0.318 20 0 CCADLP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH+]2CCO[C@H](C)C2)C1 ZINC000906488740 614650547 /nfs/dbraw/zinc/65/05/47/614650547.db2.gz NMYASCWCGLSYTF-HUUCEWRRSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH+]2CCO[C@H](C)C2)C1 ZINC000906488740 614650550 /nfs/dbraw/zinc/65/05/50/614650550.db2.gz NMYASCWCGLSYTF-HUUCEWRRSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[NH+]1CCC[C@@H](C(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000906488740 614650552 /nfs/dbraw/zinc/65/05/52/614650552.db2.gz NMYASCWCGLSYTF-HUUCEWRRSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[NH+]1CCC[C@@H](C(=O)NCC[N@H+]2CCO[C@H](C)C2)C1 ZINC000906488740 614650555 /nfs/dbraw/zinc/65/05/55/614650555.db2.gz NMYASCWCGLSYTF-HUUCEWRRSA-N 2 2 297.443 0.945 20 0 CCADLP CCC1(CC)CNC(=O)[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000933289773 614688041 /nfs/dbraw/zinc/68/80/41/614688041.db2.gz NAFXFAHQUBPPGS-CHWSQXEVSA-N 2 2 283.416 0.338 20 0 CCADLP CC1(C)CNC(=O)[C@H]1[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000925172251 614697823 /nfs/dbraw/zinc/69/78/23/614697823.db2.gz RWIURAAFBGSGHL-WDEREUQCSA-N 2 2 262.357 0.875 20 0 CCADLP CCC1([NH3+])CC[NH+]([C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000925758513 614704611 /nfs/dbraw/zinc/70/46/11/614704611.db2.gz CFJZCROYCSWVFH-JHJVBQTASA-N 3 2 255.406 0.942 20 0 CCADLP CC1(C)[NH2+]CC[C@H]1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876872216 614808106 /nfs/dbraw/zinc/80/81/06/614808106.db2.gz VMESFTKGITXTRW-AAOUONPWSA-N 2 2 267.373 0.132 20 0 CCADLP CC1(C)OC[C@@H](C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)O1 ZINC000851987204 614822537 /nfs/dbraw/zinc/82/25/37/614822537.db2.gz BMKPESCNDXLJQY-LLVKDONJSA-N 2 2 266.345 0.683 20 0 CCADLP CC(C)(CNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C)[NH+]1CCOCC1 ZINC000876709946 614845371 /nfs/dbraw/zinc/84/53/71/614845371.db2.gz BTKNZJYALSOJAZ-VXGBXAGGSA-N 2 2 283.416 0.587 20 0 CCADLP CC[N@H+](CC[NH3+])C[C@@H](O)COc1ccc(NC(C)=O)cc1 ZINC000923400953 615047206 /nfs/dbraw/zinc/04/72/06/615047206.db2.gz GLTTXTUSSVDAHZ-CQSZACIVSA-N 2 2 295.383 0.665 20 0 CCADLP CC[N@@H+](CC[NH3+])C[C@@H](O)COc1ccc(NC(C)=O)cc1 ZINC000923400953 615047208 /nfs/dbraw/zinc/04/72/08/615047208.db2.gz GLTTXTUSSVDAHZ-CQSZACIVSA-N 2 2 295.383 0.665 20 0 CCADLP CC[NH+]1CC(N2CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)C1 ZINC000941653436 615086944 /nfs/dbraw/zinc/08/69/44/615086944.db2.gz ULFBECUXKNCCRG-UHFFFAOYSA-N 2 2 291.399 0.109 20 0 CCADLP CC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](C)C1 ZINC000910284643 615119077 /nfs/dbraw/zinc/11/90/77/615119077.db2.gz TVAUCGYDQDWJDW-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](C)C1 ZINC000910284643 615119078 /nfs/dbraw/zinc/11/90/78/615119078.db2.gz TVAUCGYDQDWJDW-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](C)C1 ZINC000910284643 615119079 /nfs/dbraw/zinc/11/90/79/615119079.db2.gz TVAUCGYDQDWJDW-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](C)C1 ZINC000910284643 615119080 /nfs/dbraw/zinc/11/90/80/615119080.db2.gz TVAUCGYDQDWJDW-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH2+][C@H](C)[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC000979441439 615131212 /nfs/dbraw/zinc/13/12/12/615131212.db2.gz FVVXHEVKXLIWRP-DGCLKSJQSA-N 2 2 280.372 0.188 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000900009490 615145087 /nfs/dbraw/zinc/14/50/87/615145087.db2.gz JHQJPLQKQWUBFU-SZGZABIGSA-N 2 2 295.427 0.865 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000900009490 615145089 /nfs/dbraw/zinc/14/50/89/615145089.db2.gz JHQJPLQKQWUBFU-SZGZABIGSA-N 2 2 295.427 0.865 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](CCOC)CC1 ZINC000890073303 615245980 /nfs/dbraw/zinc/24/59/80/615245980.db2.gz KNFYRMZMBAODET-CYBMUJFWSA-N 2 2 284.404 0.054 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](CCOC)CC1 ZINC000890073303 615245982 /nfs/dbraw/zinc/24/59/82/615245982.db2.gz KNFYRMZMBAODET-CYBMUJFWSA-N 2 2 284.404 0.054 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1C[C@H](C)OC[C@H]1C ZINC000890058537 615249419 /nfs/dbraw/zinc/24/94/19/615249419.db2.gz ZSPAAKCFZCPCJU-HZSPNIEDSA-N 2 2 298.431 0.489 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1C[C@H](C)OC[C@H]1C ZINC000890058537 615249420 /nfs/dbraw/zinc/24/94/20/615249420.db2.gz ZSPAAKCFZCPCJU-HZSPNIEDSA-N 2 2 298.431 0.489 20 0 CCADLP CC[NH+]1CC[C@@H]1CNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000890058537 615249421 /nfs/dbraw/zinc/24/94/21/615249421.db2.gz ZSPAAKCFZCPCJU-HZSPNIEDSA-N 2 2 298.431 0.489 20 0 CCADLP CC[NH+]1CC[C@@H]1CNC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000890058537 615249422 /nfs/dbraw/zinc/24/94/22/615249422.db2.gz ZSPAAKCFZCPCJU-HZSPNIEDSA-N 2 2 298.431 0.489 20 0 CCADLP CC[N@@H+]1CC[C@H](CNC(=O)/C=C(\C)C[NH+]2CCOCC2)C1 ZINC000900307576 615270994 /nfs/dbraw/zinc/27/09/94/615270994.db2.gz MYQURTSSQRBJIT-YVGNARHYSA-N 2 2 295.427 0.723 20 0 CCADLP CC[N@H+]1CC[C@H](CNC(=O)/C=C(\C)C[NH+]2CCOCC2)C1 ZINC000900307576 615270996 /nfs/dbraw/zinc/27/09/96/615270996.db2.gz MYQURTSSQRBJIT-YVGNARHYSA-N 2 2 295.427 0.723 20 0 CCADLP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](CC)C1 ZINC000912399755 615273372 /nfs/dbraw/zinc/27/33/72/615273372.db2.gz YEDVAANCBFUHBN-LBPRGKRZSA-N 2 2 250.346 0.895 20 0 CCADLP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CC)C1 ZINC000912399755 615273373 /nfs/dbraw/zinc/27/33/73/615273373.db2.gz YEDVAANCBFUHBN-LBPRGKRZSA-N 2 2 250.346 0.895 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000947861681 615281680 /nfs/dbraw/zinc/28/16/80/615281680.db2.gz OIIYLPJFGLBMHA-MNOVXSKESA-N 2 2 250.346 0.941 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000947861681 615281682 /nfs/dbraw/zinc/28/16/82/615281682.db2.gz OIIYLPJFGLBMHA-MNOVXSKESA-N 2 2 250.346 0.941 20 0 CCADLP CCOC(=O)[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000932637864 615292364 /nfs/dbraw/zinc/29/23/64/615292364.db2.gz DMFSTVGZFLYVGL-OLZOCXBDSA-N 2 2 272.389 0.573 20 0 CCADLP CCOC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000932637864 615292365 /nfs/dbraw/zinc/29/23/65/615292365.db2.gz DMFSTVGZFLYVGL-OLZOCXBDSA-N 2 2 272.389 0.573 20 0 CCADLP CCOC(=O)[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000932637864 615292366 /nfs/dbraw/zinc/29/23/66/615292366.db2.gz DMFSTVGZFLYVGL-OLZOCXBDSA-N 2 2 272.389 0.573 20 0 CCADLP CCOC(=O)[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000932637864 615292368 /nfs/dbraw/zinc/29/23/68/615292368.db2.gz DMFSTVGZFLYVGL-OLZOCXBDSA-N 2 2 272.389 0.573 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000863541047 615326542 /nfs/dbraw/zinc/32/65/42/615326542.db2.gz GIHRRYLKPUYJTB-SDDRHHMPSA-N 2 2 267.373 0.154 20 0 CCADLP CC[C@@H](C(=O)N1CC[NH+](C[C@H](C)OC)CC1)[NH+](C)C ZINC000950555615 615371872 /nfs/dbraw/zinc/37/18/72/615371872.db2.gz NCCMGUDVZBGRQS-STQMWFEESA-N 2 2 271.405 0.506 20 0 CCADLP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2nc(C)no2)C1)[NH+](C)C ZINC000969990086 615374823 /nfs/dbraw/zinc/37/48/23/615374823.db2.gz RSESHWPWJVMIFD-NEPJUHHUSA-N 2 2 295.387 0.409 20 0 CCADLP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CCF)C1)[NH+](C)C ZINC000898494963 615385874 /nfs/dbraw/zinc/38/58/74/615385874.db2.gz JCRMYJUMVJGMHH-RYUDHWBXSA-N 2 2 259.369 0.877 20 0 CCADLP CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCF)C1)[NH+](C)C ZINC000898494963 615385876 /nfs/dbraw/zinc/38/58/76/615385876.db2.gz JCRMYJUMVJGMHH-RYUDHWBXSA-N 2 2 259.369 0.877 20 0 CCADLP CC[N@@H+]1[C@H](C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC000864083179 615448851 /nfs/dbraw/zinc/44/88/51/615448851.db2.gz ANODYBKRZKMDMI-PHIMTYICSA-N 2 2 250.346 0.893 20 0 CCADLP CCO[C@H]1[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)[C@@H]1C ZINC000912386912 615456044 /nfs/dbraw/zinc/45/60/44/615456044.db2.gz KMVNXFWTXSURFA-BFHYXJOUSA-N 2 2 285.432 0.657 20 0 CCADLP CCO[C@H]1[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)[C@@H]1C ZINC000912386912 615456045 /nfs/dbraw/zinc/45/60/45/615456045.db2.gz KMVNXFWTXSURFA-BFHYXJOUSA-N 2 2 285.432 0.657 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)CC[NH+](C)C ZINC000925600161 615477456 /nfs/dbraw/zinc/47/74/56/615477456.db2.gz FYDUXNWMZPFGQN-ZDUSSCGKSA-N 2 2 286.420 0.300 20 0 CCADLP CCO[C@H](CNC(=O)NCCn1cc[nH+]c1)C[NH+](C)C ZINC000913900477 615481783 /nfs/dbraw/zinc/48/17/83/615481783.db2.gz WNISSNSIOUMSQR-GFCCVEGCSA-N 2 2 283.376 0.149 20 0 CCADLP CCO[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)C[NH+](C)C ZINC000925836505 615484361 /nfs/dbraw/zinc/48/43/61/615484361.db2.gz BAOTUSLUWURDNB-BFHYXJOUSA-N 3 2 257.422 0.931 20 0 CCADLP CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925678916 615485083 /nfs/dbraw/zinc/48/50/83/615485083.db2.gz ASRFWJBJOWXHPP-WDEREUQCSA-N 2 2 275.418 0.188 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C[NH+](CC)C1CC1 ZINC000874705498 615566990 /nfs/dbraw/zinc/56/69/90/615566990.db2.gz WIZGGLSRGYNFGV-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C[NH+](CC)C1CC1 ZINC000874705498 615566991 /nfs/dbraw/zinc/56/69/91/615566991.db2.gz WIZGGLSRGYNFGV-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)C[N@H+](CC)C1CC1 ZINC000874705498 615566992 /nfs/dbraw/zinc/56/69/92/615566992.db2.gz WIZGGLSRGYNFGV-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)C[N@@H+](CC)C1CC1 ZINC000874705498 615566993 /nfs/dbraw/zinc/56/69/93/615566993.db2.gz WIZGGLSRGYNFGV-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000874706149 615568669 /nfs/dbraw/zinc/56/86/69/615568669.db2.gz LXVUYEGYWKYTPJ-SOUVJXGZSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000874706149 615568670 /nfs/dbraw/zinc/56/86/70/615568670.db2.gz LXVUYEGYWKYTPJ-SOUVJXGZSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000874706149 615568671 /nfs/dbraw/zinc/56/86/71/615568671.db2.gz LXVUYEGYWKYTPJ-SOUVJXGZSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000874706149 615568672 /nfs/dbraw/zinc/56/86/72/615568672.db2.gz LXVUYEGYWKYTPJ-SOUVJXGZSA-N 2 2 297.443 0.944 20 0 CCADLP CCn1c[nH+]c2c1CCN(C[C@](C)(O)C[NH2+]C)C2 ZINC000923556948 615629679 /nfs/dbraw/zinc/62/96/79/615629679.db2.gz HJAPNGLGKPNMFV-CYBMUJFWSA-N 2 2 252.362 0.232 20 0 CCADLP CCn1c[nH+]c2c1CCN(C[C@H](O)C[N@H+](C)CCOC)C2 ZINC000933255002 615629858 /nfs/dbraw/zinc/62/98/58/615629858.db2.gz GZGKIEOQRRGHQM-CYBMUJFWSA-N 2 2 296.415 0.200 20 0 CCADLP CCn1c[nH+]c2c1CCN(C[C@H](O)C[N@@H+](C)CCOC)C2 ZINC000933255002 615629860 /nfs/dbraw/zinc/62/98/60/615629860.db2.gz GZGKIEOQRRGHQM-CYBMUJFWSA-N 2 2 296.415 0.200 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)Cn1c[nH+]cc1C ZINC000928651677 615715387 /nfs/dbraw/zinc/71/53/87/615715387.db2.gz QQEPDTDUCAEOOO-CYBMUJFWSA-N 2 2 280.372 0.419 20 0 CCADLP CC[C@H](CO)Nc1cc(NC[C@H]2CC[N@@H+]2C)nc[nH+]1 ZINC000895767637 615739551 /nfs/dbraw/zinc/73/95/51/615739551.db2.gz PCFDGOXOSZSBSL-GHMZBOCLSA-N 2 2 265.361 0.775 20 0 CCADLP CC[C@H](CO)Nc1cc(NC[C@H]2CC[N@H+]2C)nc[nH+]1 ZINC000895767637 615739553 /nfs/dbraw/zinc/73/95/53/615739553.db2.gz PCFDGOXOSZSBSL-GHMZBOCLSA-N 2 2 265.361 0.775 20 0 CCADLP CC[C@H](C[C@](C)(O)CC)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000924840472 615751098 /nfs/dbraw/zinc/75/10/98/615751098.db2.gz WDVIPYBUUPWUCK-UKRRQHHQSA-N 2 2 285.432 0.680 20 0 CCADLP CC[C@H](O)C[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880250367 615826994 /nfs/dbraw/zinc/82/69/94/615826994.db2.gz NSIRCPIPYYDJIF-ZDUSSCGKSA-N 2 2 283.416 0.563 20 0 CCADLP C[NH+](C)C1(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CCC1 ZINC000912896645 615842210 /nfs/dbraw/zinc/84/22/10/615842210.db2.gz JNJMIHKUECNCOV-UHFFFAOYSA-N 2 2 297.399 0.036 20 0 CCADLP C[NH+](C)C1(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)CCC1 ZINC000912896645 615842211 /nfs/dbraw/zinc/84/22/11/615842211.db2.gz JNJMIHKUECNCOV-UHFFFAOYSA-N 2 2 297.399 0.036 20 0 CCADLP C[NH+](C)C1(C(=O)N[C@H]2CCc3c[nH+]cn3C2)CCC1 ZINC000804333382 615844321 /nfs/dbraw/zinc/84/43/21/615844321.db2.gz IJOMUWCBJMMCLN-NSHDSACASA-N 2 2 262.357 0.798 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@H]1CCCCO1 ZINC000855415124 615878731 /nfs/dbraw/zinc/87/87/31/615878731.db2.gz QEHWZWOGECTTAE-CQSZACIVSA-N 2 2 285.432 0.945 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@H]1CCCCO1 ZINC000855415124 615878732 /nfs/dbraw/zinc/87/87/32/615878732.db2.gz QEHWZWOGECTTAE-CQSZACIVSA-N 2 2 285.432 0.945 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872305888 615879614 /nfs/dbraw/zinc/87/96/14/615879614.db2.gz PIALXAIJGSZWDA-CABCVRRESA-N 3 2 298.475 0.894 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872305888 615879616 /nfs/dbraw/zinc/87/96/16/615879616.db2.gz PIALXAIJGSZWDA-CABCVRRESA-N 3 2 298.475 0.894 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000877435175 615927816 /nfs/dbraw/zinc/92/78/16/615927816.db2.gz YOTYLSWYZCKKRL-UONOGXRCSA-N 2 2 295.427 0.603 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000877435175 615927819 /nfs/dbraw/zinc/92/78/19/615927819.db2.gz YOTYLSWYZCKKRL-UONOGXRCSA-N 2 2 295.427 0.603 20 0 CCADLP C[NH+](C)C[C@H](N)C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000876718077 615943458 /nfs/dbraw/zinc/94/34/58/615943458.db2.gz ODADNIKTLZRBKI-ZDUSSCGKSA-N 2 2 273.340 0.700 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000825854897 615951654 /nfs/dbraw/zinc/95/16/54/615951654.db2.gz DQPZNKKWAYSEHZ-CQSZACIVSA-N 2 2 290.371 0.269 20 0 CCADLP C[NH+](C)Cc1cnc(CNC[C@@H]2COCC[NH2+]2)s1 ZINC000863650611 615958610 /nfs/dbraw/zinc/95/86/10/615958610.db2.gz WUKNROYLDPJJAF-SNVBAGLBSA-N 2 2 270.402 0.283 20 0 CCADLP CC[C@](O)(C[NH2+]C[C@@H](O)C[NH+]1CCCC1)C(F)(F)F ZINC000905346017 615968589 /nfs/dbraw/zinc/96/85/89/615968589.db2.gz POWQWPZMZCEAPD-MNOVXSKESA-N 2 2 284.322 0.736 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000867526891 615979086 /nfs/dbraw/zinc/97/90/86/615979086.db2.gz XWUNYCNDWAKSDA-HMJDLUCASA-N 2 2 281.400 0.474 20 0 CCADLP C[NH+](C)[C@]1(CNC(=O)Cc2[nH]cc[nH+]2)CCSC1 ZINC000829627442 615999051 /nfs/dbraw/zinc/99/90/51/615999051.db2.gz WCNQWSUWONGPOU-LBPRGKRZSA-N 2 2 268.386 0.506 20 0 CCADLP CN(C)c1cc(Cn2cc(CSCC[NH3+])nn2)cc[nH+]1 ZINC000881365355 616006212 /nfs/dbraw/zinc/00/62/12/616006212.db2.gz CJQCQYMWCSFHAZ-UHFFFAOYSA-N 2 2 292.412 0.979 20 0 CCADLP C[N@H+](CC(=O)NCc1ccccn1)CC(C)(C)C[NH3+] ZINC000844220250 616047996 /nfs/dbraw/zinc/04/79/96/616047996.db2.gz BTYSUOSYRZFQCY-UHFFFAOYSA-N 2 2 264.373 0.615 20 0 CCADLP C[N@@H+](CC(=O)NCc1ccccn1)CC(C)(C)C[NH3+] ZINC000844220250 616047997 /nfs/dbraw/zinc/04/79/97/616047997.db2.gz BTYSUOSYRZFQCY-UHFFFAOYSA-N 2 2 264.373 0.615 20 0 CCADLP C[N@H+](CC(F)F)C1CCN(C(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000844188082 616052939 /nfs/dbraw/zinc/05/29/39/616052939.db2.gz NYZKNQNKBYOXBQ-ZDUSSCGKSA-N 2 2 293.333 0.876 20 0 CCADLP C[N@@H+](CC(F)F)C1CCN(C(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000844188082 616052940 /nfs/dbraw/zinc/05/29/40/616052940.db2.gz NYZKNQNKBYOXBQ-ZDUSSCGKSA-N 2 2 293.333 0.876 20 0 CCADLP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000866283412 616060425 /nfs/dbraw/zinc/06/04/25/616060425.db2.gz XUXNERCRJDJEBK-TZMCWYRMSA-N 2 2 292.383 0.633 20 0 CCADLP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000866283412 616060426 /nfs/dbraw/zinc/06/04/26/616060426.db2.gz XUXNERCRJDJEBK-TZMCWYRMSA-N 2 2 292.383 0.633 20 0 CCADLP C[N@H+](CCC1CC[NH2+]CC1)Cc1nnc2c(=O)[nH]ccn12 ZINC000883460173 616071416 /nfs/dbraw/zinc/07/14/16/616071416.db2.gz RBAUJOBMHLEQEF-UHFFFAOYSA-N 2 2 290.371 0.239 20 0 CCADLP C[N@@H+](CCC1CC[NH2+]CC1)Cc1nnc2c(=O)[nH]ccn12 ZINC000883460173 616071417 /nfs/dbraw/zinc/07/14/17/616071417.db2.gz RBAUJOBMHLEQEF-UHFFFAOYSA-N 2 2 290.371 0.239 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876894409 616076550 /nfs/dbraw/zinc/07/65/50/616076550.db2.gz OPTVLSTVNXNVMS-RYUDHWBXSA-N 2 2 268.336 0.679 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)Nc1ccccc1C[NH3+] ZINC000904658823 616089550 /nfs/dbraw/zinc/08/95/50/616089550.db2.gz JIRLTBBRLVHZSI-UHFFFAOYSA-N 2 2 292.383 0.941 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@H](O)c1ccc(F)cc1)C1CC1 ZINC000843108313 616132051 /nfs/dbraw/zinc/13/20/51/616132051.db2.gz OASCQGNZVHFJLL-GJZGRUSLSA-N 2 2 282.359 0.904 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H](O)c1ccc(F)cc1)C1CC1 ZINC000843108313 616132052 /nfs/dbraw/zinc/13/20/52/616132052.db2.gz OASCQGNZVHFJLL-GJZGRUSLSA-N 2 2 282.359 0.904 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898901831 616193082 /nfs/dbraw/zinc/19/30/82/616193082.db2.gz NGIOIAUJYKLFAW-LLVKDONJSA-N 2 2 250.346 0.829 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898901831 616193083 /nfs/dbraw/zinc/19/30/83/616193083.db2.gz NGIOIAUJYKLFAW-LLVKDONJSA-N 2 2 250.346 0.829 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H](O)COC[C@H]1CCCO1 ZINC000880129858 616199352 /nfs/dbraw/zinc/19/93/52/616199352.db2.gz CFRPRRPQFOJCTL-XUWVNRHRSA-N 2 2 298.427 0.711 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H](O)COC[C@H]1CCCO1 ZINC000880129858 616199353 /nfs/dbraw/zinc/19/93/53/616199353.db2.gz CFRPRRPQFOJCTL-XUWVNRHRSA-N 2 2 298.427 0.711 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H](O)COC[C@H]1CCCO1 ZINC000880129858 616199354 /nfs/dbraw/zinc/19/93/54/616199354.db2.gz CFRPRRPQFOJCTL-XUWVNRHRSA-N 2 2 298.427 0.711 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@H](O)COC[C@H]1CCCO1 ZINC000880129858 616199355 /nfs/dbraw/zinc/19/93/55/616199355.db2.gz CFRPRRPQFOJCTL-XUWVNRHRSA-N 2 2 298.427 0.711 20 0 CCADLP C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000911570174 616202621 /nfs/dbraw/zinc/20/26/21/616202621.db2.gz GRBYKUPPWTWLPA-SWLSCSKDSA-N 2 2 292.383 0.161 20 0 CCADLP C[N@H+]1CCC[C@@](O)(CC(=O)N[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000911570174 616202622 /nfs/dbraw/zinc/20/26/22/616202622.db2.gz GRBYKUPPWTWLPA-SWLSCSKDSA-N 2 2 292.383 0.161 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC000870081691 616209681 /nfs/dbraw/zinc/20/96/81/616209681.db2.gz HQJUVWNVIURSCO-CABCVRRESA-N 2 2 289.379 0.959 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC000870081691 616209682 /nfs/dbraw/zinc/20/96/82/616209682.db2.gz HQJUVWNVIURSCO-CABCVRRESA-N 2 2 289.379 0.959 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC000967925450 616209846 /nfs/dbraw/zinc/20/98/46/616209846.db2.gz PVKHAAJTUPOWSE-PWSUYJOCSA-N 2 2 295.412 0.323 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC000967925450 616209847 /nfs/dbraw/zinc/20/98/47/616209847.db2.gz PVKHAAJTUPOWSE-PWSUYJOCSA-N 2 2 295.412 0.323 20 0 CCADLP C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC000901103112 616215498 /nfs/dbraw/zinc/21/54/98/616215498.db2.gz BBUFVLNXWRYIQZ-AAEUAGOBSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@H+]1CCC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC000901103112 616215499 /nfs/dbraw/zinc/21/54/99/616215499.db2.gz BBUFVLNXWRYIQZ-AAEUAGOBSA-N 2 2 262.357 0.895 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000874833772 616216510 /nfs/dbraw/zinc/21/65/10/616216510.db2.gz NIXBAMZNZJSXOT-OLZOCXBDSA-N 2 2 262.357 0.658 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000874833772 616216511 /nfs/dbraw/zinc/21/65/11/616216511.db2.gz NIXBAMZNZJSXOT-OLZOCXBDSA-N 2 2 262.357 0.658 20 0 CCADLP C[N@@H+]1CCC[C@]2(CC[NH+]([C@H]3CCC(=O)NC3=O)C2)C1 ZINC000815144199 616219749 /nfs/dbraw/zinc/21/97/49/616219749.db2.gz CLEPOYCOUSUZAY-FZMZJTMJSA-N 2 2 265.357 0.209 20 0 CCADLP C[N@H+]1CCC[C@]2(CC[NH+]([C@H]3CCC(=O)NC3=O)C2)C1 ZINC000815144199 616219750 /nfs/dbraw/zinc/21/97/50/616219750.db2.gz CLEPOYCOUSUZAY-FZMZJTMJSA-N 2 2 265.357 0.209 20 0 CCADLP C[NH+]1CCC[C@]2(CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)C1 ZINC000815144199 616219751 /nfs/dbraw/zinc/21/97/51/616219751.db2.gz CLEPOYCOUSUZAY-FZMZJTMJSA-N 2 2 265.357 0.209 20 0 CCADLP C[NH+]1CCC[C@]2(CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)C1 ZINC000815144199 616219752 /nfs/dbraw/zinc/21/97/52/616219752.db2.gz CLEPOYCOUSUZAY-FZMZJTMJSA-N 2 2 265.357 0.209 20 0 CCADLP C[NH+]1CCN(C(=O)CC[NH2+]Cc2cn(C3CC3)cn2)CC1 ZINC000865448675 616222471 /nfs/dbraw/zinc/22/24/71/616222471.db2.gz JSPJFSIDMKRUPJ-UHFFFAOYSA-N 2 2 291.399 0.472 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925615839 616223685 /nfs/dbraw/zinc/22/36/85/616223685.db2.gz ISEGXGQSSUFHBQ-STQMWFEESA-N 3 2 282.432 0.256 20 0 CCADLP C[NH+]1CCN(C(=O)c2csc(C3CC[NH2+]CC3)n2)CC1 ZINC000870914551 616231765 /nfs/dbraw/zinc/23/17/65/616231765.db2.gz WVQZOLQEQRFAQY-UHFFFAOYSA-N 2 2 294.424 0.998 20 0 CCADLP CN1CCOC[C@@H]1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926760275 616249103 /nfs/dbraw/zinc/24/91/03/616249103.db2.gz LYINWVKTXDXDMW-RRFJBIMHSA-N 2 2 267.417 0.924 20 0 CCADLP CN1CCOC[C@@H]1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926760275 616249104 /nfs/dbraw/zinc/24/91/04/616249104.db2.gz LYINWVKTXDXDMW-RRFJBIMHSA-N 2 2 267.417 0.924 20 0 CCADLP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H]([NH2+]Cc3cnon3)C2)C1 ZINC000970483088 616268979 /nfs/dbraw/zinc/26/89/79/616268979.db2.gz GBFOHTGYSBCDDG-NWDGAFQWSA-N 2 2 293.371 0.102 20 0 CCADLP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H]([NH2+]Cc3cnon3)C2)C1 ZINC000970483088 616268980 /nfs/dbraw/zinc/26/89/80/616268980.db2.gz GBFOHTGYSBCDDG-NWDGAFQWSA-N 2 2 293.371 0.102 20 0 CCADLP COC(OC)[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000895788916 616357918 /nfs/dbraw/zinc/35/79/18/616357918.db2.gz CCWIZJLSADHRRX-WCQYABFASA-N 2 2 272.389 0.837 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000957782524 616366217 /nfs/dbraw/zinc/36/62/17/616366217.db2.gz HDKBCNCFMLDPEA-HNNXBMFYSA-N 2 2 297.443 0.897 20 0 CCADLP COC/C(C)=C/C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000930072582 616373210 /nfs/dbraw/zinc/37/32/10/616373210.db2.gz SJPHAJTZRAQCOZ-DTHCKZEYSA-N 2 2 295.427 0.993 20 0 CCADLP COC/C(C)=C/C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000930072582 616373211 /nfs/dbraw/zinc/37/32/11/616373211.db2.gz SJPHAJTZRAQCOZ-DTHCKZEYSA-N 2 2 295.427 0.993 20 0 CCADLP C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@]2(C)C1 ZINC000887925034 616380497 /nfs/dbraw/zinc/38/04/97/616380497.db2.gz BMDPZNYIEKWVPG-IOASZLSFSA-N 2 2 288.395 0.856 20 0 CCADLP C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@]2(C)C1 ZINC000887925034 616380501 /nfs/dbraw/zinc/38/05/01/616380501.db2.gz BMDPZNYIEKWVPG-IOASZLSFSA-N 2 2 288.395 0.856 20 0 CCADLP COCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000968533242 616384714 /nfs/dbraw/zinc/38/47/14/616384714.db2.gz HVEADAXTIPJOMZ-TZMCWYRMSA-N 2 2 294.399 0.436 20 0 CCADLP COCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000968533242 616384719 /nfs/dbraw/zinc/38/47/19/616384719.db2.gz HVEADAXTIPJOMZ-TZMCWYRMSA-N 2 2 294.399 0.436 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945810386 616393167 /nfs/dbraw/zinc/39/31/67/616393167.db2.gz WWPJLGNHEPATLZ-CHWSQXEVSA-N 2 2 280.372 0.356 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945810386 616393173 /nfs/dbraw/zinc/39/31/73/616393173.db2.gz WWPJLGNHEPATLZ-CHWSQXEVSA-N 2 2 280.372 0.356 20 0 CCADLP C[N@@H+]1CC[C@H]1CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000925402612 616424777 /nfs/dbraw/zinc/42/47/77/616424777.db2.gz AZIBTMKXHNUVMF-QWHCGFSZSA-N 2 2 277.372 0.934 20 0 CCADLP C[N@H+]1CC[C@H]1CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000925402612 616424780 /nfs/dbraw/zinc/42/47/80/616424780.db2.gz AZIBTMKXHNUVMF-QWHCGFSZSA-N 2 2 277.372 0.934 20 0 CCADLP C[N@@H+]1CC[C@H]1CNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000925425041 616426207 /nfs/dbraw/zinc/42/62/07/616426207.db2.gz COTJOSDWTIYWGC-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP C[N@H+]1CC[C@H]1CNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000925425041 616426208 /nfs/dbraw/zinc/42/62/08/616426208.db2.gz COTJOSDWTIYWGC-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP COC(=O)C1=CC[C@H]([NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)C1 ZINC000863542623 616432289 /nfs/dbraw/zinc/43/22/89/616432289.db2.gz RBMKFYXVZQQFOI-DRZSPHRISA-N 2 2 268.357 0.605 20 0 CCADLP CN1C[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1=O ZINC000924895193 616448688 /nfs/dbraw/zinc/44/86/88/616448688.db2.gz GHUXEWQXVFIVAU-AGIUHOORSA-N 2 2 251.374 0.824 20 0 CCADLP CN1C[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1=O ZINC000924895193 616448692 /nfs/dbraw/zinc/44/86/92/616448692.db2.gz GHUXEWQXVFIVAU-AGIUHOORSA-N 2 2 251.374 0.824 20 0 CCADLP COC1(OC)CC[C@@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000926231352 616483845 /nfs/dbraw/zinc/48/38/45/616483845.db2.gz ZWEVQHVIQXEBEI-MNOVXSKESA-N 2 2 251.330 0.939 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]([NH3+])CC2CC2)[C@H](C)C1 ZINC000884326972 616555226 /nfs/dbraw/zinc/55/52/26/616555226.db2.gz GAGCFEFSGCBDEB-DGCLKSJQSA-N 2 2 297.399 0.210 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]([NH3+])CC2CC2)[C@H](C)C1 ZINC000884326972 616555227 /nfs/dbraw/zinc/55/52/27/616555227.db2.gz GAGCFEFSGCBDEB-DGCLKSJQSA-N 2 2 297.399 0.210 20 0 CCADLP COCC[C@@H]([NH3+])C(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000884212619 616632280 /nfs/dbraw/zinc/63/22/80/616632280.db2.gz JLSHKSABFZMASQ-CYBMUJFWSA-N 2 2 277.368 0.829 20 0 CCADLP COCC[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000884212619 616632284 /nfs/dbraw/zinc/63/22/84/616632284.db2.gz JLSHKSABFZMASQ-CYBMUJFWSA-N 2 2 277.368 0.829 20 0 CCADLP COCC[C@@H]([NH3+])C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000884470644 616634616 /nfs/dbraw/zinc/63/46/16/616634616.db2.gz VSJWIJHALOIVBM-ZIAGYGMSSA-N 2 2 277.368 0.653 20 0 CCADLP COCC[C@@H]([NH3+])C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000884470644 616634622 /nfs/dbraw/zinc/63/46/22/616634622.db2.gz VSJWIJHALOIVBM-ZIAGYGMSSA-N 2 2 277.368 0.653 20 0 CCADLP COCC[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000884316685 616638724 /nfs/dbraw/zinc/63/87/24/616638724.db2.gz AAKITRMNKLZXDR-NWDGAFQWSA-N 2 2 278.356 0.140 20 0 CCADLP COC[C@H](CCO)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925113848 616650582 /nfs/dbraw/zinc/65/05/82/616650582.db2.gz XZWIOZNAAIPHPM-IHRRRGAJSA-N 2 2 256.390 0.990 20 0 CCADLP COC[C@H](CCO)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925113848 616650585 /nfs/dbraw/zinc/65/05/85/616650585.db2.gz XZWIOZNAAIPHPM-IHRRRGAJSA-N 2 2 256.390 0.990 20 0 CCADLP CNC(=O)NC(=O)CC[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880133618 616694450 /nfs/dbraw/zinc/69/44/50/616694450.db2.gz VDBCXVDGTJOEKN-MNOVXSKESA-N 2 2 268.361 0.001 20 0 CCADLP CNC(=O)NC(=O)CC[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880133618 616694454 /nfs/dbraw/zinc/69/44/54/616694454.db2.gz VDBCXVDGTJOEKN-MNOVXSKESA-N 2 2 268.361 0.001 20 0 CCADLP CNC(=O)NC(=O)CC[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880133618 616694455 /nfs/dbraw/zinc/69/44/55/616694455.db2.gz VDBCXVDGTJOEKN-MNOVXSKESA-N 2 2 268.361 0.001 20 0 CCADLP CNC(=O)NC(=O)CC[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880133618 616694458 /nfs/dbraw/zinc/69/44/58/616694458.db2.gz VDBCXVDGTJOEKN-MNOVXSKESA-N 2 2 268.361 0.001 20 0 CCADLP CO[C@@](C)(CO)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000848560544 616908637 /nfs/dbraw/zinc/90/86/37/616908637.db2.gz NTDCCHIEQZHFMS-GFCCVEGCSA-N 2 2 273.402 0.692 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879564045 616967645 /nfs/dbraw/zinc/96/76/45/616967645.db2.gz GGHSPQVDAYSCHY-RDBSUJKOSA-N 2 2 288.457 0.610 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879564045 616967649 /nfs/dbraw/zinc/96/76/49/616967649.db2.gz GGHSPQVDAYSCHY-RDBSUJKOSA-N 2 2 288.457 0.610 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879564045 616967651 /nfs/dbraw/zinc/96/76/51/616967651.db2.gz GGHSPQVDAYSCHY-RDBSUJKOSA-N 2 2 288.457 0.610 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879564045 616967653 /nfs/dbraw/zinc/96/76/53/616967653.db2.gz GGHSPQVDAYSCHY-RDBSUJKOSA-N 2 2 288.457 0.610 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)CC(C)(C)C1 ZINC000879624051 616967929 /nfs/dbraw/zinc/96/79/29/616967929.db2.gz LDSLWMAXWCTEFI-STQMWFEESA-N 2 2 274.405 0.018 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)CC(C)(C)C1 ZINC000879624051 616967934 /nfs/dbraw/zinc/96/79/34/616967934.db2.gz LDSLWMAXWCTEFI-STQMWFEESA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879624051 616967938 /nfs/dbraw/zinc/96/79/38/616967938.db2.gz LDSLWMAXWCTEFI-STQMWFEESA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879624051 616967946 /nfs/dbraw/zinc/96/79/46/616967946.db2.gz LDSLWMAXWCTEFI-STQMWFEESA-N 2 2 274.405 0.018 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCN(C)c2ncccc2C1 ZINC000866727539 617000971 /nfs/dbraw/zinc/00/09/71/617000971.db2.gz NPUXINIEIKPWOK-AWEZNQCLSA-N 2 2 264.373 0.304 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCN(C)c2ncccc2C1 ZINC000866727539 617000977 /nfs/dbraw/zinc/00/09/77/617000977.db2.gz NPUXINIEIKPWOK-AWEZNQCLSA-N 2 2 264.373 0.304 20 0 CCADLP CNS(=O)(=O)CCC[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925725335 617013146 /nfs/dbraw/zinc/01/31/46/617013146.db2.gz JXNPIDBBNLCOCQ-YPMHNXCESA-N 2 2 285.413 0.604 20 0 CCADLP CNS(=O)(=O)CCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926783393 617013297 /nfs/dbraw/zinc/01/32/97/617013297.db2.gz GZUJXEKTYMMJCQ-CHWSQXEVSA-N 2 2 289.445 0.532 20 0 CCADLP CNS(=O)(=O)CCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926783393 617013299 /nfs/dbraw/zinc/01/32/99/617013299.db2.gz GZUJXEKTYMMJCQ-CHWSQXEVSA-N 2 2 289.445 0.532 20 0 CCADLP CON(C)C(=O)CC[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC000818975430 617016970 /nfs/dbraw/zinc/01/69/70/617016970.db2.gz OYBCTPOELNCXII-LBPRGKRZSA-N 2 2 259.394 0.962 20 0 CCADLP CON(C)C(=O)CC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000819152761 617017890 /nfs/dbraw/zinc/01/78/90/617017890.db2.gz BFVIUNYFQDFGAC-CMPLNLGQSA-N 2 2 255.362 0.469 20 0 CCADLP CON(C)C(=O)CC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000819152761 617017895 /nfs/dbraw/zinc/01/78/95/617017895.db2.gz BFVIUNYFQDFGAC-CMPLNLGQSA-N 2 2 255.362 0.469 20 0 CCADLP CON(C)C(=O)CC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000819152763 617019359 /nfs/dbraw/zinc/01/93/59/617019359.db2.gz BFVIUNYFQDFGAC-JQWIXIFHSA-N 2 2 255.362 0.469 20 0 CCADLP CON(C)C(=O)CC[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000819152763 617019363 /nfs/dbraw/zinc/01/93/63/617019363.db2.gz BFVIUNYFQDFGAC-JQWIXIFHSA-N 2 2 255.362 0.469 20 0 CCADLP COCC[N@H+](CCS(C)(=O)=O)CC1CC[NH+](C)CC1 ZINC000879123301 617023370 /nfs/dbraw/zinc/02/33/70/617023370.db2.gz VDSDAPKXAZMMJE-UHFFFAOYSA-N 2 2 292.445 0.321 20 0 CCADLP COCC[N@@H+](CCS(C)(=O)=O)CC1CC[NH+](C)CC1 ZINC000879123301 617023371 /nfs/dbraw/zinc/02/33/71/617023371.db2.gz VDSDAPKXAZMMJE-UHFFFAOYSA-N 2 2 292.445 0.321 20 0 CCADLP COC[C@@]1(C(=O)NCc2cc(C)[nH+]c(C)c2)C[NH2+]CCO1 ZINC000876926722 617034299 /nfs/dbraw/zinc/03/42/99/617034299.db2.gz DRGOJJQNLBYVIF-OAHLLOKOSA-N 2 2 293.367 0.320 20 0 CCADLP CO[C@H](C)C[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880254087 617058133 /nfs/dbraw/zinc/05/81/33/617058133.db2.gz MUFJWBOFAMTNTB-CYBMUJFWSA-N 2 2 283.416 0.827 20 0 CCADLP CNc1cc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)nc[nH+]1 ZINC000892320403 617058312 /nfs/dbraw/zinc/05/83/12/617058312.db2.gz VUJIIYVDIKIPCD-VXGBXAGGSA-N 2 2 277.372 0.554 20 0 CCADLP CNc1cc(NC[C@@H]2CCC[N@@H+]2CCCO)nc[nH+]1 ZINC000894022657 617061005 /nfs/dbraw/zinc/06/10/05/617061005.db2.gz ZKTGBOOTXAZLNU-NSHDSACASA-N 2 2 265.361 0.777 20 0 CCADLP CNc1cc(NC[C@@H]2CCC[N@H+]2CCCO)nc[nH+]1 ZINC000894022657 617061009 /nfs/dbraw/zinc/06/10/09/617061009.db2.gz ZKTGBOOTXAZLNU-NSHDSACASA-N 2 2 265.361 0.777 20 0 CCADLP CON(C)C(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858319374 617070561 /nfs/dbraw/zinc/07/05/61/617070561.db2.gz IFGYSQYBLNNNSC-QWRGUYRKSA-N 2 2 257.378 0.857 20 0 CCADLP CON(C)C(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858319374 617070565 /nfs/dbraw/zinc/07/05/65/617070565.db2.gz IFGYSQYBLNNNSC-QWRGUYRKSA-N 2 2 257.378 0.857 20 0 CCADLP CON1CC[C@@H]([N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000929990405 617093097 /nfs/dbraw/zinc/09/30/97/617093097.db2.gz AGYUKFXDTZYDIR-WDEREUQCSA-N 2 2 264.329 0.751 20 0 CCADLP CON1CC[C@@H]([N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000929990405 617093099 /nfs/dbraw/zinc/09/30/99/617093099.db2.gz AGYUKFXDTZYDIR-WDEREUQCSA-N 2 2 264.329 0.751 20 0 CCADLP COc1c(C)c[nH+]c(CNC(=O)N2CC[C@@H]([NH3+])C2)c1C ZINC000841764596 617145806 /nfs/dbraw/zinc/14/58/06/617145806.db2.gz GYONMDWOLPCSEX-LLVKDONJSA-N 2 2 278.356 0.950 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1[C@H]2C[N@H+](C/C=C\Cl)C[C@H]21 ZINC001026140081 625340689 /nfs/dbraw/zinc/34/06/89/625340689.db2.gz DXLUMMYWDCYNDZ-QGCOPXGNSA-N 2 2 294.786 0.762 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1[C@H]2C[N@@H+](C/C=C\Cl)C[C@H]21 ZINC001026140081 625340691 /nfs/dbraw/zinc/34/06/91/625340691.db2.gz DXLUMMYWDCYNDZ-QGCOPXGNSA-N 2 2 294.786 0.762 20 0 CCADLP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CNCCOC1 ZINC000925523900 625361154 /nfs/dbraw/zinc/36/11/54/625361154.db2.gz WGIIOHQWFPPZLB-CYBMUJFWSA-N 2 2 252.362 0.550 20 0 CCADLP CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]12 ZINC001026400064 625431602 /nfs/dbraw/zinc/43/16/02/625431602.db2.gz CVLGOENWVMRHFD-MRVWCRGKSA-N 2 2 276.384 0.809 20 0 CCADLP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C12CCC2 ZINC000925614286 625449366 /nfs/dbraw/zinc/44/93/66/625449366.db2.gz WEBDSWHJGRFVLC-YNEHKIRRSA-N 3 2 253.390 0.303 20 0 CCADLP C[C@H]1C[C@H](NC(=O)NCc2c[nH+]cn2C)CC[NH2+]1 ZINC000892094625 622582383 /nfs/dbraw/zinc/58/23/83/622582383.db2.gz BGQXGMHDTVABTN-VHSXEESVSA-N 2 2 251.334 0.360 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCCCO2)C1 ZINC001022776390 622744359 /nfs/dbraw/zinc/74/43/59/622744359.db2.gz ZTNPCIXMGXNNKY-MBNYWOFBSA-N 2 2 292.383 0.758 20 0 CCADLP C[C@H](CN[C@@H]1C[NH2+]CCOC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000925701901 625635213 /nfs/dbraw/zinc/63/52/13/625635213.db2.gz HXPMXBXZDWBGAS-YIYPIFLZSA-N 2 2 271.405 0.062 20 0 CCADLP C[C@H](CN[C@@H]1C[NH2+]CCOC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000925701901 625635221 /nfs/dbraw/zinc/63/52/21/625635221.db2.gz HXPMXBXZDWBGAS-YIYPIFLZSA-N 2 2 271.405 0.062 20 0 CCADLP Cc1nonc1[C@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000924578999 623590109 /nfs/dbraw/zinc/59/01/09/623590109.db2.gz SQTJHMMIQHEHSW-NSHDSACASA-N 2 2 267.377 0.666 20 0 CCADLP Cc1noc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001019771267 623904956 /nfs/dbraw/zinc/90/49/56/623904956.db2.gz GPVKMPFWDGHUOL-NEPJUHHUSA-N 2 2 293.371 0.020 20 0 CCADLP Cc1noc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001019771267 623904961 /nfs/dbraw/zinc/90/49/61/623904961.db2.gz GPVKMPFWDGHUOL-NEPJUHHUSA-N 2 2 293.371 0.020 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)c1cccc(C[NH3+])c1 ZINC000049503911 624462879 /nfs/dbraw/zinc/46/28/79/624462879.db2.gz USHXOZRTCLHIGK-GFCCVEGCSA-N 2 2 277.368 0.596 20 0 CCADLP COc1nn(C)cc1C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000902458509 634390360 /nfs/dbraw/zinc/39/03/60/634390360.db2.gz YODPTHNKRZGMTA-WDEREUQCSA-N 2 2 250.346 0.788 20 0 CCADLP COc1nn(C)cc1C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000902458506 634391266 /nfs/dbraw/zinc/39/12/66/634391266.db2.gz YODPTHNKRZGMTA-GHMZBOCLSA-N 2 2 250.346 0.788 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC001020817530 624606276 /nfs/dbraw/zinc/60/62/76/624606276.db2.gz WYZRAWVAADFMJB-AVGNSLFASA-N 2 2 292.383 0.616 20 0 CCADLP C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050247438 624803271 /nfs/dbraw/zinc/80/32/71/624803271.db2.gz ZFQJMQPOXUIXAB-JHJVBQTASA-N 2 2 253.390 0.962 20 0 CCADLP C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050247438 624803272 /nfs/dbraw/zinc/80/32/72/624803272.db2.gz ZFQJMQPOXUIXAB-JHJVBQTASA-N 2 2 253.390 0.962 20 0 CCADLP CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001022274748 624907635 /nfs/dbraw/zinc/90/76/35/624907635.db2.gz CBYYSKJZEGUEHC-TXEJJXNPSA-N 2 2 263.341 0.889 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)Nc1cc[nH+]cc1CO ZINC000891837211 624940844 /nfs/dbraw/zinc/94/08/44/624940844.db2.gz DFOVUKPIZYXRTJ-NSHDSACASA-N 2 2 251.330 0.128 20 0 CCADLP COC[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001009207883 625779909 /nfs/dbraw/zinc/77/99/09/625779909.db2.gz MNZPCJDYVVUGCH-OLZOCXBDSA-N 2 2 294.399 0.578 20 0 CCADLP COC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001009207883 625779913 /nfs/dbraw/zinc/77/99/13/625779913.db2.gz MNZPCJDYVVUGCH-OLZOCXBDSA-N 2 2 294.399 0.578 20 0 CCADLP c1cn(CCC[NH2+][C@H]2CCO[C@@]23CCOC3)c[nH+]1 ZINC000903055403 634529217 /nfs/dbraw/zinc/52/92/17/634529217.db2.gz FDOZAXXNGPGBST-QWHCGFSZSA-N 2 2 251.330 0.811 20 0 CCADLP Cc1cc(C[NH+]2CCN(C[C@H]3CCC[NH2+]3)CC2)on1 ZINC000903441407 634563493 /nfs/dbraw/zinc/56/34/93/634563493.db2.gz QOQVNIGFLIELJX-CYBMUJFWSA-N 2 2 264.373 0.853 20 0 CCADLP [NH3+]C[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903713600 634633203 /nfs/dbraw/zinc/63/32/03/634633203.db2.gz XHLANWVGGAKXCS-BFHYXJOUSA-N 3 2 253.390 0.568 20 0 CCADLP [NH3+]C[C@@H]1CCCC[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903713600 634633211 /nfs/dbraw/zinc/63/32/11/634633211.db2.gz XHLANWVGGAKXCS-BFHYXJOUSA-N 3 2 253.390 0.568 20 0 CCADLP C[C@H]1C[N@H+](CCN2CC[NH2+]CCC23CCOCC3)CCO1 ZINC000903818909 634657390 /nfs/dbraw/zinc/65/73/90/634657390.db2.gz XXEBBFXZESNDGX-HNNXBMFYSA-N 2 2 297.443 0.552 20 0 CCADLP COc1cnc([C@@H]2CCC[N@@H+]2CCOCC[NH3+])[nH]c1=O ZINC000903829544 634659747 /nfs/dbraw/zinc/65/97/47/634659747.db2.gz GYMYBQPIMNBWEG-JTQLQIEISA-N 2 2 282.344 0.303 20 0 CCADLP COc1cnc([C@@H]2CCC[N@H+]2CCOCC[NH3+])[nH]c1=O ZINC000903829544 634659750 /nfs/dbraw/zinc/65/97/50/634659750.db2.gz GYMYBQPIMNBWEG-JTQLQIEISA-N 2 2 282.344 0.303 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)Nc1ccccn1)C2 ZINC000903841454 634664347 /nfs/dbraw/zinc/66/43/47/634664347.db2.gz DCUKLNKCIMNRHO-TUAOUCFPSA-N 2 2 260.341 0.832 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)Nc1ccccn1)C2 ZINC000903841454 634664358 /nfs/dbraw/zinc/66/43/58/634664358.db2.gz DCUKLNKCIMNRHO-TUAOUCFPSA-N 2 2 260.341 0.832 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903874356 634673934 /nfs/dbraw/zinc/67/39/34/634673934.db2.gz YQGOGLKTMHVTFK-BFHYXJOUSA-N 3 2 292.431 0.762 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903874356 634673938 /nfs/dbraw/zinc/67/39/38/634673938.db2.gz YQGOGLKTMHVTFK-BFHYXJOUSA-N 3 2 292.431 0.762 20 0 CCADLP CC[C@@H]1C[N@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)CCO1 ZINC000903879332 634675122 /nfs/dbraw/zinc/67/51/22/634675122.db2.gz YNPSABRRDQFBEY-UKRRQHHQSA-N 2 2 280.416 0.957 20 0 CCADLP CC[C@@H]1C[N@@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)CCO1 ZINC000903879332 634675132 /nfs/dbraw/zinc/67/51/32/634675132.db2.gz YNPSABRRDQFBEY-UKRRQHHQSA-N 2 2 280.416 0.957 20 0 CCADLP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000903899979 634679703 /nfs/dbraw/zinc/67/97/03/634679703.db2.gz XMFPZXBGKUJLDS-QWRGUYRKSA-N 2 2 273.331 0.973 20 0 CCADLP [NH3+][C@@H](CC(F)F)C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000903899979 634679710 /nfs/dbraw/zinc/67/97/10/634679710.db2.gz XMFPZXBGKUJLDS-QWRGUYRKSA-N 2 2 273.331 0.973 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903919029 634686511 /nfs/dbraw/zinc/68/65/11/634686511.db2.gz KLNQRWLDIVKKPU-YRGRVCCFSA-N 3 2 278.404 0.290 20 0 CCADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cnn1C ZINC000903916558 634694577 /nfs/dbraw/zinc/69/45/77/634694577.db2.gz HTBXASJJJCFFRG-HOCLYGCPSA-N 3 2 291.443 0.531 20 0 CCADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cnn1C ZINC000903916558 634694582 /nfs/dbraw/zinc/69/45/82/634694582.db2.gz HTBXASJJJCFFRG-HOCLYGCPSA-N 3 2 291.443 0.531 20 0 CCADLP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1ccc(N3CC[NH2+]CC3)o1)C2 ZINC000904385442 634740818 /nfs/dbraw/zinc/74/08/18/634740818.db2.gz VVUBYZRLXGFCIY-XJKSGUPXSA-N 3 2 290.411 0.731 20 0 CCADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1ccc(N3CC[NH2+]CC3)o1)C2 ZINC000904385442 634740820 /nfs/dbraw/zinc/74/08/20/634740820.db2.gz VVUBYZRLXGFCIY-XJKSGUPXSA-N 3 2 290.411 0.731 20 0 CCADLP O=C1NCCC2(CC[NH+](CC34CC(C3)C[NH2+]4)CC2)O1 ZINC000904427939 634745837 /nfs/dbraw/zinc/74/58/37/634745837.db2.gz AWRMUMNGHXFYQE-UHFFFAOYSA-N 2 2 265.357 0.703 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905044147 634784272 /nfs/dbraw/zinc/78/42/72/634784272.db2.gz ACUOQMIEZXIEND-VXGBXAGGSA-N 2 2 253.346 0.527 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424025413 630915631 /nfs/dbraw/zinc/91/56/31/630915631.db2.gz IRPDGDHDHKRLCW-GOEBONIOSA-N 2 2 295.427 0.842 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424025413 630915633 /nfs/dbraw/zinc/91/56/33/630915633.db2.gz IRPDGDHDHKRLCW-GOEBONIOSA-N 2 2 295.427 0.842 20 0 CCADLP C[C@H]([NH2+]CC1CC1)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC000979443345 630927843 /nfs/dbraw/zinc/92/78/43/630927843.db2.gz JKCSLKOTLHNSFT-JSGCOSHPSA-N 2 2 292.383 0.499 20 0 CCADLP Cc1cc(N)nc(N(C)CC[N@@H+]2CCOC(C)(C)C2)[nH+]1 ZINC000893563386 630953173 /nfs/dbraw/zinc/95/31/73/630953173.db2.gz DNHFEXHCNPTMKD-UHFFFAOYSA-N 2 2 279.388 0.914 20 0 CCADLP Cc1cc(N)nc(N(C)CC[N@H+]2CCOC(C)(C)C2)[nH+]1 ZINC000893563386 630953177 /nfs/dbraw/zinc/95/31/77/630953177.db2.gz DNHFEXHCNPTMKD-UHFFFAOYSA-N 2 2 279.388 0.914 20 0 CCADLP C[C@H](CC(=O)N1CCC[N@H+](CCCO)CC1)n1cc[nH+]c1 ZINC000982050840 631372881 /nfs/dbraw/zinc/37/28/81/631372881.db2.gz GOVCICPGZWYICW-CQSZACIVSA-N 2 2 294.399 0.751 20 0 CCADLP C[C@H](CC(=O)N1CCC[N@@H+](CCCO)CC1)n1cc[nH+]c1 ZINC000982050840 631372885 /nfs/dbraw/zinc/37/28/85/631372885.db2.gz GOVCICPGZWYICW-CQSZACIVSA-N 2 2 294.399 0.751 20 0 CCADLP C[C@@H]1[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC[N@@H+]1C ZINC000928431224 631813345 /nfs/dbraw/zinc/81/33/45/631813345.db2.gz LYHFQYMHGFHBBC-DGCLKSJQSA-N 2 2 276.384 0.971 20 0 CCADLP C[C@@H]1[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC[N@H+]1C ZINC000928431224 631813348 /nfs/dbraw/zinc/81/33/48/631813348.db2.gz LYHFQYMHGFHBBC-DGCLKSJQSA-N 2 2 276.384 0.971 20 0 CCADLP C[C@H]1[C@H](NC(=O)CCc2c[nH+]cn2C)CC[N@@H+]1C ZINC000928437455 631839639 /nfs/dbraw/zinc/83/96/39/631839639.db2.gz DPMVBSUMRNMVDX-CMPLNLGQSA-N 2 2 250.346 0.562 20 0 CCADLP C[C@H]1[C@H](NC(=O)CCc2c[nH+]cn2C)CC[N@H+]1C ZINC000928437455 631839648 /nfs/dbraw/zinc/83/96/48/631839648.db2.gz DPMVBSUMRNMVDX-CMPLNLGQSA-N 2 2 250.346 0.562 20 0 CCADLP C[C@@H]1[C@@H](Nc2cc(-n3cccn3)nc(N)[nH+]2)CC[N@@H+]1C ZINC000895739521 632139695 /nfs/dbraw/zinc/13/96/95/632139695.db2.gz FTYDTTVPNATWJC-ZJUUUORDSA-N 2 2 273.344 0.749 20 0 CCADLP C[C@@H]1[C@@H](Nc2cc(-n3cccn3)nc(N)[nH+]2)CC[N@H+]1C ZINC000895739521 632139701 /nfs/dbraw/zinc/13/97/01/632139701.db2.gz FTYDTTVPNATWJC-ZJUUUORDSA-N 2 2 273.344 0.749 20 0 CCADLP O=C(C1C[NH+](C2CCOCC2)C1)N1CC(n2cc[nH+]c2)C1 ZINC000896357618 632235724 /nfs/dbraw/zinc/23/57/24/632235724.db2.gz QDHWSWRYFQQTSQ-UHFFFAOYSA-N 2 2 290.367 0.377 20 0 CCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897297960 632471412 /nfs/dbraw/zinc/47/14/12/632471412.db2.gz TWVMRSHTADXECW-BZPMIXESSA-N 2 2 281.400 0.258 20 0 CCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897297960 632471421 /nfs/dbraw/zinc/47/14/21/632471421.db2.gz TWVMRSHTADXECW-BZPMIXESSA-N 2 2 281.400 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C[C@H](CC(=O)N1CCC([NH2+]C[C@H](C)O)CC1)n1cc[nH+]c1 ZINC000997043789 638849676 /nfs/dbraw/zinc/84/96/76/638849676.db2.gz BEZHGVONWZMXQV-OLZOCXBDSA-N 2 2 294.399 0.796 20 0 CCADLP CCC[NH2+]C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000997183681 638857977 /nfs/dbraw/zinc/85/79/77/638857977.db2.gz SVKXELZLMHTCTL-UHFFFAOYSA-N 2 2 264.373 0.953 20 0 CCADLP CC(C)[NH2+]C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000997184773 638858486 /nfs/dbraw/zinc/85/84/86/638858486.db2.gz ZFSNRXPBPNGSNG-UHFFFAOYSA-N 2 2 264.373 0.952 20 0 CCADLP CCC[NH2+]C1CC(N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000999609035 638989345 /nfs/dbraw/zinc/98/93/45/638989345.db2.gz VPUTXQJUGPOUPU-UHFFFAOYSA-N 2 2 250.346 0.941 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000999776479 638996005 /nfs/dbraw/zinc/99/60/05/638996005.db2.gz PLGKPOGPTCZIIE-STQMWFEESA-N 2 2 294.399 0.314 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]([NH2+]CCF)C1 ZINC001001052334 639221238 /nfs/dbraw/zinc/22/12/38/639221238.db2.gz LKVDKALQHAMGIY-NSHDSACASA-N 2 2 254.309 0.433 20 0 CCADLP Cc1cc(NC(=O)C[N@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)no1 ZINC000923300992 640077436 /nfs/dbraw/zinc/07/74/36/640077436.db2.gz DZDMPHRPRHHHOO-NSHDSACASA-N 2 2 294.355 0.232 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)no1 ZINC000923300992 640077442 /nfs/dbraw/zinc/07/74/42/640077442.db2.gz DZDMPHRPRHHHOO-NSHDSACASA-N 2 2 294.355 0.232 20 0 CCADLP Cn1cc([C@@H]2C[N@H+](C[C@H]3CC4(C[NH2+]C4)CO3)CCO2)cn1 ZINC000923324144 640086003 /nfs/dbraw/zinc/08/60/03/640086003.db2.gz BVYSOUALBAWEKH-KGLIPLIRSA-N 2 2 292.383 0.172 20 0 CCADLP Cn1cc([C@@H]2C[N@@H+](C[C@H]3CC4(C[NH2+]C4)CO3)CCO2)cn1 ZINC000923324144 640086009 /nfs/dbraw/zinc/08/60/09/640086009.db2.gz BVYSOUALBAWEKH-KGLIPLIRSA-N 2 2 292.383 0.172 20 0 CCADLP O=S(=O)(C1C[NH+](CCC2CCC2)C1)N1CC[NH2+]CC1 ZINC000923437746 640134761 /nfs/dbraw/zinc/13/47/61/640134761.db2.gz XRDSLLQTQFBIEY-UHFFFAOYSA-N 2 2 287.429 0.096 20 0 CCADLP [NH3+][C@@]1(CO)CCC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000923473740 640153222 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2 291.395 0.740 20 0 CCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[N@H+](C)[C@@H](C)C1)C2 ZINC000810441979 640935029 /nfs/dbraw/zinc/93/50/29/640935029.db2.gz CZMCDUNCECSJRR-WCQYABFASA-N 2 2 276.384 0.916 20 0 CCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC000810441979 640935032 /nfs/dbraw/zinc/93/50/32/640935032.db2.gz CZMCDUNCECSJRR-WCQYABFASA-N 2 2 276.384 0.916 20 0 CCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000818341206 641323160 /nfs/dbraw/zinc/32/31/60/641323160.db2.gz WVYZZURPKSLICY-MGPQQGTHSA-N 2 2 281.400 0.626 20 0 CCADLP C[C@@H](CNC(=O)C[NH+]1CCCC1)Cn1cc[nH+]c1 ZINC000820177192 641478878 /nfs/dbraw/zinc/47/88/78/641478878.db2.gz PBEXADOWUSJNMK-LBPRGKRZSA-N 2 2 250.346 0.731 20 0 CCADLP C[C@H](NC[C@@H](O)C[NH+](C)C)c1cn2c([nH+]1)CCCC2 ZINC000820809956 641536336 /nfs/dbraw/zinc/53/63/36/641536336.db2.gz LSCUIGVEMFNYMT-NWDGAFQWSA-N 2 2 266.389 0.793 20 0 CCADLP Cn1cncc1C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016253466 650706018 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C[C@H](CC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)n1cc[nH+]c1 ZINC000845344455 643305154 /nfs/dbraw/zinc/30/51/54/643305154.db2.gz WNYFQABXMOCEDT-HZSPNIEDSA-N 2 2 292.383 0.814 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001018000642 650838884 /nfs/dbraw/zinc/83/88/84/650838884.db2.gz MHVSPBJMBVDRGM-WCFLWFBJSA-N 2 2 278.356 0.008 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001018000642 650838885 /nfs/dbraw/zinc/83/88/85/650838885.db2.gz MHVSPBJMBVDRGM-WCFLWFBJSA-N 2 2 278.356 0.008 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)NOCC[NH+](C)C)ccn12 ZINC000848159636 643611770 /nfs/dbraw/zinc/61/17/70/643611770.db2.gz FFJOLNCAMWDBOR-UHFFFAOYSA-N 2 2 262.313 0.866 20 0 CCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000848427153 643636003 /nfs/dbraw/zinc/63/60/03/643636003.db2.gz KHROOMZNEOSJOM-WOPDTQHZSA-N 2 2 260.341 0.266 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cnon1 ZINC000851873042 643894307 /nfs/dbraw/zinc/89/43/07/643894307.db2.gz UTDRNTHDFZCKQW-UHFFFAOYSA-N 2 2 267.377 0.527 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cnon1 ZINC000851873042 643894310 /nfs/dbraw/zinc/89/43/10/643894310.db2.gz UTDRNTHDFZCKQW-UHFFFAOYSA-N 2 2 267.377 0.527 20 0 CCADLP O=C(CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)C1CC1 ZINC000852707993 643989118 /nfs/dbraw/zinc/98/91/18/643989118.db2.gz NSCCLKBRFTYZIQ-AWEZNQCLSA-N 2 2 266.385 0.887 20 0 CCADLP O=C(CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)C1CC1 ZINC000852707993 643989126 /nfs/dbraw/zinc/98/91/26/643989126.db2.gz NSCCLKBRFTYZIQ-AWEZNQCLSA-N 2 2 266.385 0.887 20 0 CCADLP [NH3+]C[C@@H]1CC(C(=O)NCc2ccccc2-n2cc[nH+]c2)=NO1 ZINC000852884241 644042347 /nfs/dbraw/zinc/04/23/47/644042347.db2.gz WCCMIEVJOVGULM-LBPRGKRZSA-N 2 2 299.334 0.592 20 0 CCADLP Cn1nccc1[C@@H](O)C1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000857226077 644483706 /nfs/dbraw/zinc/48/37/06/644483706.db2.gz CYLRXAAEJHGFQA-ZDUSSCGKSA-N 2 2 266.389 0.903 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N2CC[C@H]([NH2+]C[C@H](C)O)C2)c[nH+]1 ZINC001019030839 650932134 /nfs/dbraw/zinc/93/21/34/650932134.db2.gz VUQPCDMDPMDZKV-STQMWFEESA-N 2 2 294.399 0.498 20 0 CCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[C@H]([NH2+]CCF)C1 ZINC001019060736 650934570 /nfs/dbraw/zinc/93/45/70/650934570.db2.gz DXQDDOQPKLQCNY-RYUDHWBXSA-N 2 2 280.347 0.606 20 0 CCADLP CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2nnc(C)o2)C1)[NH+](C)C ZINC001019397303 650968680 /nfs/dbraw/zinc/96/86/80/650968680.db2.gz SNFJDFJTEMQFAA-RYUDHWBXSA-N 2 2 295.387 0.409 20 0 CCADLP CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2nc(C)no2)C1)[NH+](C)C ZINC001019397293 650968796 /nfs/dbraw/zinc/96/87/96/650968796.db2.gz RSESHWPWJVMIFD-RYUDHWBXSA-N 2 2 295.387 0.409 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC001019438915 650973175 /nfs/dbraw/zinc/97/31/75/650973175.db2.gz WEOFKJPJRSVSQX-JSGCOSHPSA-N 2 2 292.383 0.712 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]([NH2+]CCn2cccn2)C1 ZINC001019562019 650988052 /nfs/dbraw/zinc/98/80/52/650988052.db2.gz GVWYCFIBDHPIOX-LBPRGKRZSA-N 2 2 288.355 0.039 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]([NH2+]Cc2cccnc2)C1 ZINC001019564385 650988808 /nfs/dbraw/zinc/98/88/08/650988808.db2.gz MZUAZECQGSVKJJ-ZDUSSCGKSA-N 2 2 285.351 0.738 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]([NH2+]Cc2ccccn2)C1 ZINC001019564497 650988843 /nfs/dbraw/zinc/98/88/43/650988843.db2.gz SMWQGSPXRYXRJE-ZDUSSCGKSA-N 2 2 285.351 0.738 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC001019565763 650988874 /nfs/dbraw/zinc/98/88/74/650988874.db2.gz AGGCIQOKBWBJQE-STQMWFEESA-N 2 2 292.383 0.569 20 0 CCADLP C[C@H]1C[C@H]1NC(=[NH2+])NCc1c[nH+]c(N(C)C)n1C ZINC000864458247 645230136 /nfs/dbraw/zinc/23/01/36/645230136.db2.gz JVFCNUSNLHUYMM-WCBMZHEXSA-N 2 2 250.350 0.508 20 0 CCADLP c1cn(CCC[NH2+]Cc2cn(C[C@H]3CCCO3)nn2)c[nH+]1 ZINC000865398901 645362965 /nfs/dbraw/zinc/36/29/65/645362965.db2.gz CXIARMIGANYHDK-CQSZACIVSA-N 2 2 290.371 0.834 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870864764 646028653 /nfs/dbraw/zinc/02/86/53/646028653.db2.gz LGEYBKIOAOXOLE-UTUOFQBUSA-N 2 2 250.346 0.905 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870953279 646060150 /nfs/dbraw/zinc/06/01/50/646060150.db2.gz SAOMNWFEZRIPIB-RQJABVFESA-N 2 2 283.416 0.729 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870953279 646060156 /nfs/dbraw/zinc/06/01/56/646060156.db2.gz SAOMNWFEZRIPIB-RQJABVFESA-N 2 2 283.416 0.729 20 0 CCADLP NC(=O)COc1ccc(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000873230749 646362345 /nfs/dbraw/zinc/36/23/45/646362345.db2.gz XQNXEOJJENHLPY-GDBMZVCRSA-N 2 2 289.379 0.925 20 0 CCADLP C[C@@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)[C@H]1CCCC[NH2+]1 ZINC000873250093 646366201 /nfs/dbraw/zinc/36/62/01/646366201.db2.gz OZRSLGBEMPFSMX-YRGRVCCFSA-N 2 2 283.372 0.328 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873262497 646367504 /nfs/dbraw/zinc/36/75/04/646367504.db2.gz ZHJRJMYDIKWFLW-UXXRCYHCSA-N 3 2 267.417 0.874 20 0 CCADLP C[C@H]([NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)C1CC[NH2+]CC1 ZINC000873272274 646368716 /nfs/dbraw/zinc/36/87/16/646368716.db2.gz RJBJGWIPJAFRLS-NILFDRSVSA-N 3 2 267.417 0.731 20 0 CCADLP O=C(NCCn1cc[nH+]c1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000874434005 646464547 /nfs/dbraw/zinc/46/45/47/646464547.db2.gz XPUQILOWRQDQKH-RYUDHWBXSA-N 2 2 263.345 0.419 20 0 CCADLP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876535612 646622190 /nfs/dbraw/zinc/62/21/90/646622190.db2.gz OURQOHXHYFCCTN-VOIRRYAFSA-N 2 2 281.400 0.509 20 0 CCADLP O=C(/C=C\C[NH+]1CCOCC1)NCCC[NH2+]C1CC1 ZINC000876938934 646702346 /nfs/dbraw/zinc/70/23/46/646702346.db2.gz QNMCDHPXLAVFDD-IWQZZHSRSA-N 2 2 267.373 0.133 20 0 CCADLP [NH3+]Cc1ccc(CNC(=O)/C=C\C[NH+]2CCOCC2)cc1 ZINC000876938703 646702466 /nfs/dbraw/zinc/70/24/66/646702466.db2.gz OEWOESDRILSFHW-UPHRSURJSA-N 2 2 289.379 0.650 20 0 CCADLP [NH3+]CC1(CCNC(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000876947935 646704004 /nfs/dbraw/zinc/70/40/04/646704004.db2.gz OKXAGIXKQURWJR-UPHRSURJSA-N 2 2 267.373 0.120 20 0 CCADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000880249672 647175399 /nfs/dbraw/zinc/17/53/99/647175399.db2.gz DYYDROFJCKPRIF-AWEZNQCLSA-N 2 2 295.427 0.829 20 0 CCADLP Cc1cc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)no1 ZINC000882979102 647471582 /nfs/dbraw/zinc/47/15/82/647471582.db2.gz OKIYADKOKIUWPH-UHFFFAOYSA-N 2 2 266.345 0.237 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2C[NH2+]CC2(C)C)CCO1 ZINC000884206462 647668624 /nfs/dbraw/zinc/66/86/24/647668624.db2.gz VYALCMKCJRSPKW-RYUDHWBXSA-N 2 2 269.389 0.069 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2C[NH2+]CC2(C)C)CCO1 ZINC000884206462 647668629 /nfs/dbraw/zinc/66/86/29/647668629.db2.gz VYALCMKCJRSPKW-RYUDHWBXSA-N 2 2 269.389 0.069 20 0 CCADLP Cc1c[nH]nc1C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000886102286 647903967 /nfs/dbraw/zinc/90/39/67/647903967.db2.gz CMIUXTWPTZPKLJ-UHFFFAOYSA-N 2 2 294.399 0.377 20 0 CCADLP Cc1[nH]c(C2CC[NH+](Cc3nc(=O)n(C)[nH]3)CC2)[nH+]c1C ZINC000886663309 647995676 /nfs/dbraw/zinc/99/56/76/647995676.db2.gz XXFVOJYQGYWXOO-UHFFFAOYSA-N 2 2 290.371 0.828 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886832386 648021911 /nfs/dbraw/zinc/02/19/11/648021911.db2.gz HONJYKWWMLQZHO-LZWOXQAQSA-N 2 2 293.411 0.309 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886832386 648021916 /nfs/dbraw/zinc/02/19/16/648021916.db2.gz HONJYKWWMLQZHO-LZWOXQAQSA-N 2 2 293.411 0.309 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000886832385 648022274 /nfs/dbraw/zinc/02/22/74/648022274.db2.gz HONJYKWWMLQZHO-IIAWOOMASA-N 2 2 293.411 0.309 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000886832385 648022287 /nfs/dbraw/zinc/02/22/87/648022287.db2.gz HONJYKWWMLQZHO-IIAWOOMASA-N 2 2 293.411 0.309 20 0 CCADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CC(=O)NC1CC1 ZINC000887131430 648071606 /nfs/dbraw/zinc/07/16/06/648071606.db2.gz XJNMLMLRRBZHFZ-LBPRGKRZSA-N 2 2 274.368 0.871 20 0 CCADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC(=O)NC1CC1 ZINC000887131430 648071613 /nfs/dbraw/zinc/07/16/13/648071613.db2.gz XJNMLMLRRBZHFZ-LBPRGKRZSA-N 2 2 274.368 0.871 20 0 CCADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1[C@@H]1CCC(=O)NC1=O ZINC000887135239 648072939 /nfs/dbraw/zinc/07/29/39/648072939.db2.gz YXLXJQRYMXDMJY-DGCLKSJQSA-N 2 2 288.351 0.397 20 0 CCADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1[C@@H]1CCC(=O)NC1=O ZINC000887135239 648072950 /nfs/dbraw/zinc/07/29/50/648072950.db2.gz YXLXJQRYMXDMJY-DGCLKSJQSA-N 2 2 288.351 0.397 20 0 CCADLP [NH3+][C@@H]1CCCN(Cc2cn(CCCn3cc[nH+]c3)nn2)C1 ZINC000887442288 648107645 /nfs/dbraw/zinc/10/76/45/648107645.db2.gz AIXCKMSVUGUQRH-CYBMUJFWSA-N 2 2 289.387 0.488 20 0 CCADLP Cc1nonc1[C@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000924959323 648391955 /nfs/dbraw/zinc/39/19/55/648391955.db2.gz DFMLTVJFQKKVAK-MNOVXSKESA-N 2 2 267.377 0.665 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)CC[N@@H+]1C ZINC000925338766 648419971 /nfs/dbraw/zinc/41/99/71/648419971.db2.gz DMESIBDZINHJEJ-YIYPIFLZSA-N 2 2 296.415 0.241 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)CC[N@H+]1C ZINC000925338766 648419972 /nfs/dbraw/zinc/41/99/72/648419972.db2.gz DMESIBDZINHJEJ-YIYPIFLZSA-N 2 2 296.415 0.241 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH+]1C ZINC000925338766 648419974 /nfs/dbraw/zinc/41/99/74/648419974.db2.gz DMESIBDZINHJEJ-YIYPIFLZSA-N 2 2 296.415 0.241 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH+]1C ZINC000925338766 648419976 /nfs/dbraw/zinc/41/99/76/648419976.db2.gz DMESIBDZINHJEJ-YIYPIFLZSA-N 2 2 296.415 0.241 20 0 CCADLP Cn1cc([C@H](O)C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cn1 ZINC000925518175 648440936 /nfs/dbraw/zinc/44/09/36/648440936.db2.gz PWFBIIWMAYKCJV-UTDUTZCBSA-N 2 2 262.357 0.040 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925640994 648450245 /nfs/dbraw/zinc/45/02/45/648450245.db2.gz WZHRDYAKEXNGGR-OAGGEKHMSA-N 3 2 281.444 0.811 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925640994 648450246 /nfs/dbraw/zinc/45/02/46/648450246.db2.gz WZHRDYAKEXNGGR-OAGGEKHMSA-N 3 2 281.444 0.811 20 0 CCADLP O[C@@H]1CCN(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000926766452 648525248 /nfs/dbraw/zinc/52/52/48/648525248.db2.gz FCTYBUKGEOBYND-ILXRZTDVSA-N 2 2 267.417 0.660 20 0 CCADLP O[C@@H]1CCN(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000926766452 648525251 /nfs/dbraw/zinc/52/52/51/648525251.db2.gz FCTYBUKGEOBYND-ILXRZTDVSA-N 2 2 267.417 0.660 20 0 CCADLP O[C@@H](C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C1(O)CCOCC1 ZINC000929992134 648809600 /nfs/dbraw/zinc/80/96/00/648809600.db2.gz MNZPLHGUBDDLKI-STQMWFEESA-N 2 2 295.383 0.492 20 0 CCADLP O[C@@H](C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C1(O)CCOCC1 ZINC000929992134 648809603 /nfs/dbraw/zinc/80/96/03/648809603.db2.gz MNZPLHGUBDDLKI-STQMWFEESA-N 2 2 295.383 0.492 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](C[C@H](O)C2(O)CCCC2)CC1 ZINC000930062882 648817524 /nfs/dbraw/zinc/81/75/24/648817524.db2.gz ZWTCITPDCICJNB-ZDUSSCGKSA-N 2 2 294.399 0.208 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)CC1 ZINC000930066623 648818176 /nfs/dbraw/zinc/81/81/76/648818176.db2.gz HAVXREWTZQKQCO-RDBSUJKOSA-N 2 2 292.383 0.346 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000930623351 648882513 /nfs/dbraw/zinc/88/25/13/648882513.db2.gz QJYJGUKEHUCALY-JQWIXIFHSA-N 2 2 264.316 0.145 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000930623351 648882515 /nfs/dbraw/zinc/88/25/15/648882515.db2.gz QJYJGUKEHUCALY-JQWIXIFHSA-N 2 2 264.316 0.145 20 0 CCADLP C[C@H](CN1CCOCC1)[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931310773 648976720 /nfs/dbraw/zinc/97/67/20/648976720.db2.gz HSABWEWIWHRGEO-BZUAXINKSA-N 2 2 281.444 0.981 20 0 CCADLP Nc1cc[nH+]c2c1C[N@H+](C[C@@H]1C[C@@H]3COC[C@@H]3O1)CC2 ZINC000931517486 648999948 /nfs/dbraw/zinc/99/99/48/648999948.db2.gz ZQUDDIKFSZEIES-ZETOZRRWSA-N 2 2 275.352 0.826 20 0 CCADLP Nc1cc[nH+]c2c1C[N@@H+](C[C@@H]1C[C@@H]3COC[C@@H]3O1)CC2 ZINC000931517486 648999964 /nfs/dbraw/zinc/99/99/64/648999964.db2.gz ZQUDDIKFSZEIES-ZETOZRRWSA-N 2 2 275.352 0.826 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000933374388 649119730 /nfs/dbraw/zinc/11/97/30/649119730.db2.gz BENMVLFWYIOTHY-ZIAGYGMSSA-N 2 2 286.416 0.617 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000933374388 649119732 /nfs/dbraw/zinc/11/97/32/649119732.db2.gz BENMVLFWYIOTHY-ZIAGYGMSSA-N 2 2 286.416 0.617 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CCF ZINC000947928510 649356099 /nfs/dbraw/zinc/35/60/99/649356099.db2.gz BNGUEABWVBAWBV-VXGBXAGGSA-N 2 2 282.363 0.901 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1CCF ZINC000947928510 649356101 /nfs/dbraw/zinc/35/61/01/649356101.db2.gz BNGUEABWVBAWBV-VXGBXAGGSA-N 2 2 282.363 0.901 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)C[C@H]1C ZINC000246291415 649669241 /nfs/dbraw/zinc/66/92/41/649669241.db2.gz NHJVWTPNIVHSPA-HIFRSBDPSA-N 2 2 291.395 0.866 20 0 CCADLP COCC[N@H+]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)C[C@H]1C ZINC000246291415 649669243 /nfs/dbraw/zinc/66/92/43/649669243.db2.gz NHJVWTPNIVHSPA-HIFRSBDPSA-N 2 2 291.395 0.866 20 0 CCADLP CCCNC(=S)NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001244898643 807062783 /nfs/dbraw/zinc/06/27/83/807062783.db2.gz FDVQOOCSSGURQA-UHFFFAOYSA-N 2 2 272.462 0.887 20 0 CCADLP C[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)CCC1CC1 ZINC001266342238 790546193 /nfs/dbraw/zinc/54/61/93/790546193.db2.gz KWXGWORRXMUHBJ-UHFFFAOYSA-N 2 2 250.346 0.800 20 0 CCADLP C[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)CCC1CC1 ZINC001266342238 790546201 /nfs/dbraw/zinc/54/62/01/790546201.db2.gz KWXGWORRXMUHBJ-UHFFFAOYSA-N 2 2 250.346 0.800 20 0 CCADLP C[C@H]([C@H](C)NC(=O)NC[C@H]1C[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000891516382 791264867 /nfs/dbraw/zinc/26/48/67/791264867.db2.gz GOBGNHNEMUSYEJ-RNJOBUHISA-N 2 2 284.404 0.132 20 0 CCADLP O=C(NCCC[NH2+]CC1CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001161301394 790847613 /nfs/dbraw/zinc/84/76/13/790847613.db2.gz UHSXKZDLBQIHQZ-ZDUSSCGKSA-N 2 2 276.384 0.951 20 0 CCADLP CC(C)COCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001266554635 790920952 /nfs/dbraw/zinc/92/09/52/790920952.db2.gz BPBXBLOQAXGEOY-ZDUSSCGKSA-N 2 2 294.399 0.815 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]Cc1cncc(F)c1 ZINC001167355346 790957824 /nfs/dbraw/zinc/95/78/24/790957824.db2.gz CLOVACCDPZRCEX-UHFFFAOYSA-N 2 2 291.330 0.782 20 0 CCADLP CCNC(=O)C[NH2+]CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001167428419 791060987 /nfs/dbraw/zinc/06/09/87/791060987.db2.gz KHQOOUIDQBBJPM-GFCCVEGCSA-N 2 2 295.387 0.066 20 0 CCADLP C[C@@H](CC(=O)NCCC[NH2+]CCCO)n1cc[nH+]c1 ZINC001167429032 791064594 /nfs/dbraw/zinc/06/45/94/791064594.db2.gz PCTHLPXRBFMULU-LBPRGKRZSA-N 2 2 268.361 0.313 20 0 CCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](C1CC[NH+](C)CC1)C2 ZINC001277626780 805904767 /nfs/dbraw/zinc/90/47/67/805904767.db2.gz BMXQXHZQHBKROQ-ZBFHGGJFSA-N 3 2 280.460 0.648 20 0 CCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](C1CC[NH+](C)CC1)C2 ZINC001277626780 805904775 /nfs/dbraw/zinc/90/47/75/805904775.db2.gz BMXQXHZQHBKROQ-ZBFHGGJFSA-N 3 2 280.460 0.648 20 0 CCADLP COCCOCN1C[C@H]2C[C@@H](C1)[N@H+]2C1CC[NH+](C)CC1 ZINC001277626964 805906425 /nfs/dbraw/zinc/90/64/25/805906425.db2.gz IYSUZWPRQCAYKI-GASCZTMLSA-N 2 2 283.416 0.460 20 0 CCADLP COCCOCN1C[C@H]2C[C@@H](C1)[N@@H+]2C1CC[NH+](C)CC1 ZINC001277626964 805906431 /nfs/dbraw/zinc/90/64/31/805906431.db2.gz IYSUZWPRQCAYKI-GASCZTMLSA-N 2 2 283.416 0.460 20 0 CCADLP Cc1ccc[nH+]c1N1CC2(C1)CC[N@@H+](CC(=O)N(C)C)C2 ZINC001277707590 805973250 /nfs/dbraw/zinc/97/32/50/805973250.db2.gz AXLQODLDJAPATK-UHFFFAOYSA-N 2 2 288.395 0.990 20 0 CCADLP Cc1ccc[nH+]c1N1CC2(C1)CC[N@H+](CC(=O)N(C)C)C2 ZINC001277707590 805973253 /nfs/dbraw/zinc/97/32/53/805973253.db2.gz AXLQODLDJAPATK-UHFFFAOYSA-N 2 2 288.395 0.990 20 0 CCADLP C[C@H](O)C[NH2+]CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001266847825 791283854 /nfs/dbraw/zinc/28/38/54/791283854.db2.gz AGIBPBBFTJKOAW-RYUDHWBXSA-N 2 2 268.361 0.263 20 0 CCADLP C[C@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CCO ZINC001266957861 791394350 /nfs/dbraw/zinc/39/43/50/791394350.db2.gz YUTQPQUYSDMUPR-SNVBAGLBSA-N 2 2 262.313 0.035 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001267027170 791459964 /nfs/dbraw/zinc/45/99/64/791459964.db2.gz WGNZECHPTZRSLA-NEPJUHHUSA-N 2 2 266.345 0.109 20 0 CCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@@H](C[NH2+]CCF)C1 ZINC001267048155 791479696 /nfs/dbraw/zinc/47/96/96/791479696.db2.gz TWVHEZXTMUEOKF-QWHCGFSZSA-N 2 2 294.374 0.853 20 0 CCADLP Cc1nc(NC[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)cc[nH+]1 ZINC001098571012 791650460 /nfs/dbraw/zinc/65/04/60/791650460.db2.gz PBLKOHJOXUDIAH-ZDUSSCGKSA-N 2 2 291.399 0.997 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CCC[NH2+]C1)COCc1ccccc1 ZINC001246012269 807116007 /nfs/dbraw/zinc/11/60/07/807116007.db2.gz XORCOOBZOIVODL-HUUCEWRRSA-N 2 2 264.369 0.906 20 0 CCADLP O[C@@]1(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)CCC[NH2+]C1 ZINC001246023976 807121591 /nfs/dbraw/zinc/12/15/91/807121591.db2.gz NRTHSWBOCUDFCY-GJZGRUSLSA-N 3 2 267.417 0.567 20 0 CCADLP O[C@@]1(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)CCC[NH2+]C1 ZINC001246023976 807121596 /nfs/dbraw/zinc/12/15/96/807121596.db2.gz NRTHSWBOCUDFCY-GJZGRUSLSA-N 3 2 267.417 0.567 20 0 CCADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234979382 806323363 /nfs/dbraw/zinc/32/33/63/806323363.db2.gz DZHFZYLQIXYXCZ-FRRDWIJNSA-N 3 2 288.386 0.115 20 0 CCADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1CN1CCNC[C@]12CC[NH2+]C2 ZINC001234979382 806323373 /nfs/dbraw/zinc/32/33/73/806323373.db2.gz DZHFZYLQIXYXCZ-FRRDWIJNSA-N 2 2 288.386 0.115 20 0 CCADLP c1[nH+]c(CN2CC[NH2+]C[C@]23CC[NH2+]C3)n2ccccc12 ZINC001234982953 806326862 /nfs/dbraw/zinc/32/68/62/806326862.db2.gz SDHJFEMPVKNIHR-OAHLLOKOSA-N 3 2 271.368 0.472 20 0 CCADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235051928 806353474 /nfs/dbraw/zinc/35/34/74/806353474.db2.gz CIYHVDSGAOBGNH-AGIUHOORSA-N 3 2 288.386 0.115 20 0 CCADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235051928 806353484 /nfs/dbraw/zinc/35/34/84/806353484.db2.gz CIYHVDSGAOBGNH-AGIUHOORSA-N 3 2 288.386 0.115 20 0 CCADLP OCCC[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001235479727 806428270 /nfs/dbraw/zinc/42/82/70/806428270.db2.gz QWHPDLULXTWWSW-HUUCEWRRSA-N 2 2 261.369 0.828 20 0 CCADLP [NH3+]CCS(=O)(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000722233003 806443498 /nfs/dbraw/zinc/44/34/98/806443498.db2.gz VYGAWKDDLXEYPC-UHFFFAOYSA-N 2 2 266.326 0.573 20 0 CCADLP Cc1[nH+]cn(C)c1CN1CCO[C@H](C[NH+](C)C)C1 ZINC001235537431 806449582 /nfs/dbraw/zinc/44/95/82/806449582.db2.gz HNXLFCSGQRZZFN-GFCCVEGCSA-N 2 2 252.362 0.491 20 0 CCADLP [NH3+]CC[N@@H+]1CCC2(C1)CCN(C(=O)c1cccnc1)CC2 ZINC001235569842 806460294 /nfs/dbraw/zinc/46/02/94/806460294.db2.gz SVRREEWUSWEZHQ-UHFFFAOYSA-N 2 2 288.395 0.968 20 0 CCADLP [NH3+]CC[N@H+]1CCC2(C1)CCN(C(=O)c1cccnc1)CC2 ZINC001235569842 806460303 /nfs/dbraw/zinc/46/03/03/806460303.db2.gz SVRREEWUSWEZHQ-UHFFFAOYSA-N 2 2 288.395 0.968 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1CC[C@H]2[C@@H](CC(=O)NC3CCC3)OC[C@H]2C1 ZINC001235604901 806471532 /nfs/dbraw/zinc/47/15/32/806471532.db2.gz GRMBYCIWZFLLSR-CTHBEMJXSA-N 2 2 295.427 0.729 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1CC[C@H]2[C@@H](CC(=O)NC3CCC3)OC[C@H]2C1 ZINC001235604901 806471538 /nfs/dbraw/zinc/47/15/38/806471538.db2.gz GRMBYCIWZFLLSR-CTHBEMJXSA-N 2 2 295.427 0.729 20 0 CCADLP F[C@H]1C[NH2+]CC[C@H]1[NH2+]C1CCC2(CC1)OCCO2 ZINC001246084588 807146948 /nfs/dbraw/zinc/14/69/48/807146948.db2.gz FYFJCSXVVMFFAJ-NWDGAFQWSA-N 2 2 258.337 0.962 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCCC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001277961323 806490599 /nfs/dbraw/zinc/49/05/99/806490599.db2.gz WNOXLCUAFZHORE-CQSZACIVSA-N 2 2 278.400 0.662 20 0 CCADLP C[C@@H](O)C[N@H+]1CCCC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001277961323 806490603 /nfs/dbraw/zinc/49/06/03/806490603.db2.gz WNOXLCUAFZHORE-CQSZACIVSA-N 2 2 278.400 0.662 20 0 CCADLP CC(C)C[C@H]1CN(CC2=CS[C@H]([NH3+])N2)CC[NH2+]1 ZINC001235878401 806513778 /nfs/dbraw/zinc/51/37/78/806513778.db2.gz KOZOWKIHCVBXJM-CMPLNLGQSA-N 2 2 256.419 0.726 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC[C@@H](n3cncn3)C2)O1 ZINC001235893638 806514861 /nfs/dbraw/zinc/51/48/61/806514861.db2.gz XWRJDUSJCDJWRE-NEPJUHHUSA-N 2 2 265.361 0.640 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC[C@@H](n3cncn3)C2)O1 ZINC001235893638 806514865 /nfs/dbraw/zinc/51/48/65/806514865.db2.gz XWRJDUSJCDJWRE-NEPJUHHUSA-N 2 2 265.361 0.640 20 0 CCADLP C[C@H]([NH3+])C[NH+]1CCC(OCC(=O)NC2CC2)CC1 ZINC001235968571 806521364 /nfs/dbraw/zinc/52/13/64/806521364.db2.gz IXAHGFZSRXABNQ-JTQLQIEISA-N 2 2 255.362 0.093 20 0 CCADLP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001235993078 806523750 /nfs/dbraw/zinc/52/37/50/806523750.db2.gz OFSPPCSEUUNWPU-JSGCOSHPSA-N 2 2 270.340 0.790 20 0 CCADLP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001235993078 806523757 /nfs/dbraw/zinc/52/37/57/806523757.db2.gz OFSPPCSEUUNWPU-JSGCOSHPSA-N 2 2 270.340 0.790 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC3(CCOC3=O)CC2)O1 ZINC001236157013 806544727 /nfs/dbraw/zinc/54/47/27/806544727.db2.gz CGMAFYWCMXWCTJ-NSHDSACASA-N 2 2 268.357 0.740 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1ccc(C)[nH+]c1N ZINC001236201980 806555397 /nfs/dbraw/zinc/55/53/97/806555397.db2.gz YSOWIDSPYAOYFQ-MNOVXSKESA-N 2 2 264.329 0.047 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](CC2CCC(OC)CC2)C[C@H]1[NH3+] ZINC001236346187 806576068 /nfs/dbraw/zinc/57/60/68/806576068.db2.gz XRRONZIVOOYUSY-FIYWTHMPSA-N 2 2 270.373 0.624 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](CC2CCC(OC)CC2)C[C@H]1[NH3+] ZINC001236346187 806576076 /nfs/dbraw/zinc/57/60/76/806576076.db2.gz XRRONZIVOOYUSY-FIYWTHMPSA-N 2 2 270.373 0.624 20 0 CCADLP COC(=O)[C@@H]1CN(Cc2ccn3cc[nH+]c3c2)C[C@H]1[NH3+] ZINC001236346622 806576923 /nfs/dbraw/zinc/57/69/23/806576923.db2.gz IXSASFSAERLIOR-VXGBXAGGSA-N 2 2 274.324 0.266 20 0 CCADLP COC(=O)[C@H]1CN(Cc2ccn3cc[nH+]c3c2)C[C@H]1[NH3+] ZINC001236346620 806577350 /nfs/dbraw/zinc/57/73/50/806577350.db2.gz IXSASFSAERLIOR-NWDGAFQWSA-N 2 2 274.324 0.266 20 0 CCADLP COCCC[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001277981885 806585362 /nfs/dbraw/zinc/58/53/62/806585362.db2.gz PVTVFXPHXKJUGF-ZDUSSCGKSA-N 2 2 294.399 0.580 20 0 CCADLP NC(=O)C[NH+]1CCC2(C[NH+](Cc3cccc(=O)[nH]3)C2)CC1 ZINC001277982077 806588135 /nfs/dbraw/zinc/58/81/35/806588135.db2.gz RWARPSHOEKSMAC-UHFFFAOYSA-N 2 2 290.367 0.170 20 0 CCADLP C[C@H](CO)C[N@@H+]1CCCC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001277998653 806603269 /nfs/dbraw/zinc/60/32/69/806603269.db2.gz OYLFCLGLUDVXGX-HNNXBMFYSA-N 2 2 292.427 0.909 20 0 CCADLP C[C@H](CO)C[N@H+]1CCCC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001277998653 806603275 /nfs/dbraw/zinc/60/32/75/806603275.db2.gz OYLFCLGLUDVXGX-HNNXBMFYSA-N 2 2 292.427 0.909 20 0 CCADLP COC(=O)[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)CC1 ZINC001237057535 806634757 /nfs/dbraw/zinc/63/47/57/806634757.db2.gz KXWARZOYCJUQHL-NEPJUHHUSA-N 2 2 270.373 0.986 20 0 CCADLP COC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)CC1 ZINC001237057535 806634763 /nfs/dbraw/zinc/63/47/63/806634763.db2.gz KXWARZOYCJUQHL-NEPJUHHUSA-N 2 2 270.373 0.986 20 0 CCADLP COCCOCN1C[C@H]2CC[C@@H](C1)[N@H+]2CCC[NH+](C)C ZINC001278049190 806637461 /nfs/dbraw/zinc/63/74/61/806637461.db2.gz IKQSYZGQRDBIMG-GASCZTMLSA-N 2 2 285.432 0.707 20 0 CCADLP COCCOCN1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC[NH+](C)C ZINC001278049190 806637465 /nfs/dbraw/zinc/63/74/65/806637465.db2.gz IKQSYZGQRDBIMG-GASCZTMLSA-N 2 2 285.432 0.707 20 0 CCADLP C[NH+](C)Cc1csc(CNC(=O)C2(C)C[NH2+]C2)n1 ZINC000722379293 806642941 /nfs/dbraw/zinc/64/29/41/806642941.db2.gz UCLPTDVVMLZLDP-UHFFFAOYSA-N 2 2 268.386 0.430 20 0 CCADLP C([NH2+][C@H]1CCC[NH2+]C1)[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001246133551 807162217 /nfs/dbraw/zinc/16/22/17/807162217.db2.gz KDYMQXXQOQHRAY-QWHCGFSZSA-N 3 2 253.390 0.629 20 0 CCADLP O=C(C[C@]1(O)CCC[NH2+]C1)NCCCNc1cccc[nH+]1 ZINC001121991034 799114845 /nfs/dbraw/zinc/11/48/45/799114845.db2.gz LKSAOPNXYQNWHP-OAHLLOKOSA-N 2 2 292.383 0.504 20 0 CCADLP C[C@H]1CC2(CN1C(=O)Cc1[nH]cc[nH+]1)CC[NH2+]CC2 ZINC001121999108 799117882 /nfs/dbraw/zinc/11/78/82/799117882.db2.gz HCPBBRVRKVATLY-NSHDSACASA-N 2 2 262.357 0.943 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)c[nH+]1 ZINC001122475245 799242502 /nfs/dbraw/zinc/24/25/02/799242502.db2.gz QHWIQRGUAXNRPZ-GDNZZTSVSA-N 2 2 262.357 0.603 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CC1([NH3+])CC1 ZINC001122525964 799256912 /nfs/dbraw/zinc/25/69/12/799256912.db2.gz MNNRIFNYHLSGKX-LLVKDONJSA-N 2 2 255.362 0.047 20 0 CCADLP CCc1noc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001124867097 799641594 /nfs/dbraw/zinc/64/15/94/799641594.db2.gz RUKXUAWCWBADLO-MNOVXSKESA-N 2 2 295.387 0.493 20 0 CCADLP CCc1noc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001124867097 799641597 /nfs/dbraw/zinc/64/15/97/799641597.db2.gz RUKXUAWCWBADLO-MNOVXSKESA-N 2 2 295.387 0.493 20 0 CCADLP COC1CC[NH+](C2CC[NH+](C[C@@H]3CCC(=O)N3)CC2)CC1 ZINC001202902706 799787800 /nfs/dbraw/zinc/78/78/00/799787800.db2.gz KNVAVMIHZADTJO-ZDUSSCGKSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139320124 799804518 /nfs/dbraw/zinc/80/45/18/799804518.db2.gz PKZZWZHSSAMPMO-NEPJUHHUSA-N 2 2 296.440 0.850 20 0 CCADLP C[C@@H]1C[C@H](O)C[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139320124 799804524 /nfs/dbraw/zinc/80/45/24/799804524.db2.gz PKZZWZHSSAMPMO-NEPJUHHUSA-N 2 2 296.440 0.850 20 0 CCADLP C[NH+](C)CCCN1CC[NH+](Cc2ccnnc2)CC1 ZINC001139983810 799862203 /nfs/dbraw/zinc/86/22/03/799862203.db2.gz LQPFMGCEDCXDNI-UHFFFAOYSA-N 2 2 263.389 0.546 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1C[N@H+](CCCF)CCCO1 ZINC001150824941 800370014 /nfs/dbraw/zinc/37/00/14/800370014.db2.gz OQRKOOFYFZFALZ-ZDUSSCGKSA-N 2 2 298.362 0.450 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1C[N@@H+](CCCF)CCCO1 ZINC001150824941 800370020 /nfs/dbraw/zinc/37/00/20/800370020.db2.gz OQRKOOFYFZFALZ-ZDUSSCGKSA-N 2 2 298.362 0.450 20 0 CCADLP CCc1nnc([C@@H](C)[NH2+]CCNC(=O)C[NH+]2CCCC2)[nH]1 ZINC001151101172 800399368 /nfs/dbraw/zinc/39/93/68/800399368.db2.gz OZEJNGDNAQMHBB-LLVKDONJSA-N 2 2 294.403 0.230 20 0 CCADLP CC[C@@H](C)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001151814116 800461330 /nfs/dbraw/zinc/46/13/30/800461330.db2.gz DCHIKZPXMUFALM-UKRRQHHQSA-N 2 2 297.443 0.849 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH2+]Cc1cnon1 ZINC001152149069 800495570 /nfs/dbraw/zinc/49/55/70/800495570.db2.gz UBHHGAZBLPIBTF-PHIMTYICSA-N 2 2 281.360 0.148 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH2+]Cc1cnon1 ZINC001152149069 800495572 /nfs/dbraw/zinc/49/55/72/800495572.db2.gz UBHHGAZBLPIBTF-PHIMTYICSA-N 2 2 281.360 0.148 20 0 CCADLP Cc1noc(C[NH2+]CCNC(=O)CC[NH+]2CCCCC2)n1 ZINC001152340378 800511513 /nfs/dbraw/zinc/51/15/13/800511513.db2.gz NPKVXQKVTATKBK-UHFFFAOYSA-N 2 2 295.387 0.460 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccon1 ZINC001152451869 800524754 /nfs/dbraw/zinc/52/47/54/800524754.db2.gz KNIUNACVXVMQEB-CYBMUJFWSA-N 2 2 280.372 0.755 20 0 CCADLP CCOc1nccnc1N1CCC[C@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155383919 800963978 /nfs/dbraw/zinc/96/39/78/800963978.db2.gz UQDAYMSKCQXXRS-ZDUSSCGKSA-N 2 2 291.399 0.735 20 0 CCADLP Cc1nc(N(C)C)nc(NCC[C@H]2CCOC23C[NH2+]C3)[nH+]1 ZINC001155475729 800985705 /nfs/dbraw/zinc/98/57/05/800985705.db2.gz BHXZDIHCNFUKGP-NSHDSACASA-N 2 2 292.387 0.427 20 0 CCADLP Cc1nc2[nH]ccc2c(NC[C@@]23C[NH2+][C@@H](CO2)C3)[nH+]1 ZINC001155542074 801003506 /nfs/dbraw/zinc/00/35/06/801003506.db2.gz ZNENLZVTZCTADB-NOZJJQNGSA-N 2 2 259.313 0.809 20 0 CCADLP CC[N@H+](CCC[C@H](C)O)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156011483 801093078 /nfs/dbraw/zinc/09/30/78/801093078.db2.gz HEGXZLMDSKPDAH-OLZOCXBDSA-N 2 2 296.415 0.940 20 0 CCADLP CC[N@@H+](CCC[C@H](C)O)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156011483 801093083 /nfs/dbraw/zinc/09/30/83/801093083.db2.gz HEGXZLMDSKPDAH-OLZOCXBDSA-N 2 2 296.415 0.940 20 0 CCADLP Cc1nonc1CNc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001156087502 801110151 /nfs/dbraw/zinc/11/01/51/801110151.db2.gz BHCLUBWRZQHTCB-UHFFFAOYSA-N 2 2 274.328 0.795 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Nc2cc(N(C)C)cc[nH+]2)C[NH2+]1 ZINC001156242583 801139120 /nfs/dbraw/zinc/13/91/20/801139120.db2.gz JOZAMPLUQQWTOK-ONGXEEELSA-N 2 2 264.329 0.463 20 0 CCADLP Cc1conc1C[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157264065 801334976 /nfs/dbraw/zinc/33/49/76/801334976.db2.gz BEUCNXNLDGFMAS-UHFFFAOYSA-N 2 2 291.355 0.935 20 0 CCADLP Cc1oncc1C[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157265756 801336155 /nfs/dbraw/zinc/33/61/55/801336155.db2.gz VXKUDEYYXDVARC-UHFFFAOYSA-N 2 2 291.355 0.935 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2C[C@@H](OC(C)(C)C)C[NH2+]2)CC1 ZINC001157450462 801385522 /nfs/dbraw/zinc/38/55/22/801385522.db2.gz BYOBXNVNHQQZSI-NEPJUHHUSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@H]1CCC[C@H](C)N1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001157450882 801387662 /nfs/dbraw/zinc/38/76/62/801387662.db2.gz HKGGGNAWFIYHLM-ROEYZRMQSA-N 2 2 251.374 0.998 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@H]2[NH2+]CC[C@H]2O)[C@@H](c2ccccc2)C1 ZINC001157507155 801401338 /nfs/dbraw/zinc/40/13/38/801401338.db2.gz FASBCWZMZLQGGC-KFWWJZLASA-N 2 2 289.379 0.225 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]2[NH2+]CC[C@H]2O)[C@@H](c2ccccc2)C1 ZINC001157507155 801401341 /nfs/dbraw/zinc/40/13/41/801401341.db2.gz FASBCWZMZLQGGC-KFWWJZLASA-N 2 2 289.379 0.225 20 0 CCADLP [NH3+][C@H]1CN(C(=O)c2ccccc2-n2cc[nH+]c2)C[C@H]1F ZINC001157556207 801416692 /nfs/dbraw/zinc/41/66/92/801416692.db2.gz WGUGTLXAIXCMJG-NEPJUHHUSA-N 2 2 274.299 0.994 20 0 CCADLP CC(C)(C)OC(=O)O[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C1 ZINC001157594053 801428655 /nfs/dbraw/zinc/42/86/55/801428655.db2.gz ZESNMZGOWGWYOI-MXWKQRLJSA-N 2 2 299.371 0.228 20 0 CCADLP C[C@@H]1CC[C@H](CO)CN1C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001157855803 801503187 /nfs/dbraw/zinc/50/31/87/801503187.db2.gz PZSBOVALJXHMAY-XUJVJEKNSA-N 2 2 291.395 0.878 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ncnc3cnc(F)cc32)CC1 ZINC001157914630 801518668 /nfs/dbraw/zinc/51/86/68/801518668.db2.gz JIWXXCZRAGUPST-UHFFFAOYSA-N 2 2 289.318 0.758 20 0 CCADLP COc1cc(NC(=[NH2+])N2CC[NH+](C)CC2)nc(OC)n1 ZINC001157914843 801519243 /nfs/dbraw/zinc/51/92/43/801519243.db2.gz MWELTSFDLXGRSF-UHFFFAOYSA-N 2 2 280.332 0.088 20 0 CCADLP CCOc1cc(NC(=[NH2+])N2CC[NH+](C)CC2)ncn1 ZINC001157915666 801520439 /nfs/dbraw/zinc/52/04/39/801520439.db2.gz DIUKXKSPGUTDCN-UHFFFAOYSA-N 2 2 264.333 0.469 20 0 CCADLP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157960885 801540455 /nfs/dbraw/zinc/54/04/55/801540455.db2.gz RUHDLEJQAGHGHT-LSDHHAIUSA-N 2 2 299.378 0.453 20 0 CCADLP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157960885 801540461 /nfs/dbraw/zinc/54/04/61/801540461.db2.gz RUHDLEJQAGHGHT-LSDHHAIUSA-N 2 2 299.378 0.453 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nccc2occc21 ZINC001158203411 801591349 /nfs/dbraw/zinc/59/13/49/801591349.db2.gz LORJPUJVQTYKKK-SECBINFHSA-N 2 2 258.281 0.876 20 0 CCADLP COc1cnc(SC)nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158203811 801591690 /nfs/dbraw/zinc/59/16/90/801591690.db2.gz QGEYOPITMASKPM-MRVPVSSYSA-N 2 2 295.368 0.255 20 0 CCADLP COc1cnnc(Cl)c1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158204197 801592843 /nfs/dbraw/zinc/59/28/43/801592843.db2.gz MOPGMKHOQDKFET-SSDOTTSWSA-N 2 2 283.719 0.186 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc(C2CC2)ncn1 ZINC001158209608 801596811 /nfs/dbraw/zinc/59/68/11/801596811.db2.gz ZSTTYWDHSZNMET-SNVBAGLBSA-N 2 2 259.313 0.402 20 0 CCADLP CSc1ccnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1 ZINC001158209567 801597089 /nfs/dbraw/zinc/59/70/89/801597089.db2.gz YGSYZDPLUPHUKR-SECBINFHSA-N 2 2 264.354 0.851 20 0 CCADLP CCSc1cncc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158209598 801597180 /nfs/dbraw/zinc/59/71/80/801597180.db2.gz ZHLQEOSHGYPTJZ-SECBINFHSA-N 2 2 279.369 0.636 20 0 CCADLP O=C(c1cccc2[nH+]ccn21)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158231843 801600006 /nfs/dbraw/zinc/60/00/06/801600006.db2.gz RDFUMOWBPBJHJI-WDEREUQCSA-N 2 2 256.309 0.911 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2CCCC(=O)CC2)cc1 ZINC001158672554 801681655 /nfs/dbraw/zinc/68/16/55/801681655.db2.gz WTSAEQQBGMQGAU-CQSZACIVSA-N 2 2 275.352 0.840 20 0 CCADLP COC[C@@H](C)[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159540575 801832199 /nfs/dbraw/zinc/83/21/99/801832199.db2.gz RYIJVGYTHIQBCI-LLVKDONJSA-N 2 2 268.361 0.473 20 0 CCADLP COC[C@@H](C)[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159540575 801832204 /nfs/dbraw/zinc/83/22/04/801832204.db2.gz RYIJVGYTHIQBCI-LLVKDONJSA-N 2 2 268.361 0.473 20 0 CCADLP O=C(NCCC[NH2+]C[C@H]1CCOC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160332227 801929821 /nfs/dbraw/zinc/92/98/21/801929821.db2.gz KQFVBCDVQNMVMA-JHJVBQTASA-N 2 2 292.383 0.646 20 0 CCADLP O=C(NCCC[NH2+]C[C@H]1CCOC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160332227 801929826 /nfs/dbraw/zinc/92/98/26/801929826.db2.gz KQFVBCDVQNMVMA-JHJVBQTASA-N 2 2 292.383 0.646 20 0 CCADLP COC(=O)[C@@H]([NH3+])CC(=O)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001160460900 801944864 /nfs/dbraw/zinc/94/48/64/801944864.db2.gz GWWGFEMYTLOANN-STQMWFEESA-N 2 2 297.399 0.354 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](c2cccnc2)C1 ZINC001160524626 801961814 /nfs/dbraw/zinc/96/18/14/801961814.db2.gz NUCZVWKIFNYULW-GXTWGEPZSA-N 2 2 285.351 0.691 20 0 CCADLP Cc1nc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)no1 ZINC001160549724 801968570 /nfs/dbraw/zinc/96/85/70/801968570.db2.gz WLJINWWLXKRZHP-VWYCJHECSA-N 2 2 279.344 0.121 20 0 CCADLP CN(C[C@H]1CCC[NH2+]C1)C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001160698000 802004990 /nfs/dbraw/zinc/00/49/90/802004990.db2.gz DQYRJPPHRRKIKG-WFASDCNBSA-N 3 2 290.411 0.717 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC001160706256 802007571 /nfs/dbraw/zinc/00/75/71/802007571.db2.gz ZNVJEEOFPIZNQT-RKDXNWHRSA-N 2 2 292.261 0.069 20 0 CCADLP COC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001160908947 802044739 /nfs/dbraw/zinc/04/47/39/802044739.db2.gz FRPBUNKARKXGLL-OWZDMKDPSA-N 2 2 292.383 0.458 20 0 CCADLP CNC(=O)C[NH2+]CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001160984044 802057456 /nfs/dbraw/zinc/05/74/56/802057456.db2.gz DOCUVTASVOCUQR-UHFFFAOYSA-N 2 2 289.339 0.018 20 0 CCADLP CC(C)OC1CN(C(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)C1 ZINC001161009644 802060482 /nfs/dbraw/zinc/06/04/82/802060482.db2.gz GWTPMTNNIBSWKA-CQSZACIVSA-N 2 2 277.368 0.895 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCc2[nH]ccc2C1 ZINC001161135262 802097560 /nfs/dbraw/zinc/09/75/60/802097560.db2.gz WHJWQENVNOEROA-NSHDSACASA-N 2 2 259.313 0.193 20 0 CCADLP CCN(C(=O)[C@H]([NH3+])Cc1ccccc1F)C1C[NH+](C)C1 ZINC001161137457 802100339 /nfs/dbraw/zinc/10/03/39/802100339.db2.gz FCHJHQWGWSYFMN-CQSZACIVSA-N 2 2 279.359 0.858 20 0 CCADLP CCN(C(=O)Cc1cc[nH+]c(N)c1)[C@@H]1CCC[NH2+]C1 ZINC001161342094 802135265 /nfs/dbraw/zinc/13/52/65/802135265.db2.gz YVRHOJBNAAIDEL-GFCCVEGCSA-N 2 2 262.357 0.807 20 0 CCADLP [NH3+]C1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3C[C@@H](F)CC[NH2+]3)C2)CC1 ZINC001161377071 802141787 /nfs/dbraw/zinc/14/17/87/802141787.db2.gz FCYWXYLINHIRHA-UBHSHLNASA-N 3 2 298.406 0.101 20 0 CCADLP CCOC(=O)[C@H]([NH3+])CNc1cc(N2CCCC2)cc[nH+]1 ZINC001161949985 802254871 /nfs/dbraw/zinc/25/48/71/802254871.db2.gz GMAYWLHWGAGUKB-GFCCVEGCSA-N 2 2 278.356 0.984 20 0 CCADLP NC(=O)c1c[nH]c2nc[nH+]c(N[C@@H]3CCC[C@H]([NH3+])C3)c12 ZINC001162396827 802334218 /nfs/dbraw/zinc/33/42/18/802334218.db2.gz OAXNLUVFFRKCFR-JGVFFNPUSA-N 2 2 274.328 0.739 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCCC[NH2+]Cc1cnsn1 ZINC001162605829 802375910 /nfs/dbraw/zinc/37/59/10/802375910.db2.gz ITVZYXMINUFCKS-UHFFFAOYSA-N 2 2 294.384 0.339 20 0 CCADLP C(C[NH+]1CCOCC1)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC001255285618 808341252 /nfs/dbraw/zinc/34/12/52/808341252.db2.gz JDLAHQHHZNOPDO-AWEZNQCLSA-N 2 2 285.457 0.442 20 0 CCADLP COCCC[NH2+]CCCNC(=O)CCc1[nH+]ccn1C ZINC001163044165 802466270 /nfs/dbraw/zinc/46/62/70/802466270.db2.gz MRCKTZXAJZBNCO-UHFFFAOYSA-N 2 2 282.388 0.485 20 0 CCADLP COC(=O)c1[nH+]ccc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)c1C ZINC001163108787 802484229 /nfs/dbraw/zinc/48/42/29/802484229.db2.gz XTBOGOVINUHLET-NQBHXWOUSA-N 2 2 291.351 0.245 20 0 CCADLP Cc1cc(N(C(N)=[NH2+])c2ncnc3c2CC[NH2+]C3)n[nH]1 ZINC001163508600 802564028 /nfs/dbraw/zinc/56/40/28/802564028.db2.gz XOXUWYUEVQYWQD-UHFFFAOYSA-N 2 2 272.316 0.185 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCC[NH2+]Cc1cnns1 ZINC001163593577 802574703 /nfs/dbraw/zinc/57/47/03/802574703.db2.gz LLHQPEPYEZCJTG-UHFFFAOYSA-N 2 2 294.384 0.421 20 0 CCADLP COC(=O)Cc1c[nH]c2[nH+]ccc(N(CC[NH3+])CCO)c12 ZINC001163838780 802623961 /nfs/dbraw/zinc/62/39/61/802623961.db2.gz BJGZTPMJGQVVMN-UHFFFAOYSA-N 2 2 292.339 0.036 20 0 CCADLP COC(=O)c1c[nH+]ccc1NCCn1cc[nH+]c1C ZINC001163928320 802634662 /nfs/dbraw/zinc/63/46/62/802634662.db2.gz GENGAOAAHJMKPA-UHFFFAOYSA-N 2 2 260.297 0.907 20 0 CCADLP [NH3+][C@H]1CN(c2cc[nH+]c(N3CCOCC3)n2)CCC1(F)F ZINC001164323656 802722881 /nfs/dbraw/zinc/72/28/81/802722881.db2.gz NRARKOSWALXXPX-JTQLQIEISA-N 2 2 299.325 0.486 20 0 CCADLP [NH3+][C@H]1CN(c2ncc3c(n2)C[NH2+]C3)CCC1(F)F ZINC001164324848 802724490 /nfs/dbraw/zinc/72/44/90/802724490.db2.gz XIMSDNJDUSSDBC-VIFPVBQESA-N 2 2 255.272 0.253 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCCC1(C[NH2+]CCO)CC1 ZINC001164334509 802725942 /nfs/dbraw/zinc/72/59/42/802725942.db2.gz FRPXRFZYPNPIRU-UHFFFAOYSA-N 2 2 280.372 0.211 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])CN1c1cc(N2CCOCC2)[nH+]cn1 ZINC001164460447 802744578 /nfs/dbraw/zinc/74/45/78/802744578.db2.gz CZQYFROJLWVUKA-CHWSQXEVSA-N 2 2 291.399 0.877 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])CN1c1cc(N2CCOCC2)nc[nH+]1 ZINC001164460447 802744581 /nfs/dbraw/zinc/74/45/81/802744581.db2.gz CZQYFROJLWVUKA-CHWSQXEVSA-N 2 2 291.399 0.877 20 0 CCADLP Cc1nc(-n2cncn2)cc(N2C[C@H](C[NH3+])CC[C@H]2C)[nH+]1 ZINC001164474652 802746645 /nfs/dbraw/zinc/74/66/45/802746645.db2.gz SUCNWUSITIDWLQ-PWSUYJOCSA-N 2 2 287.371 0.929 20 0 CCADLP C[NH+](C)C1(C)CN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001165116937 802784058 /nfs/dbraw/zinc/78/40/58/802784058.db2.gz NHVHMRKJRDXVIW-UHFFFAOYSA-N 2 2 277.372 0.454 20 0 CCADLP Cc1c[nH+]c(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)nc1NC1CC1 ZINC001165269148 802807925 /nfs/dbraw/zinc/80/79/25/802807925.db2.gz QZGTYAGWKZCXLZ-STQMWFEESA-N 2 2 289.383 0.926 20 0 CCADLP Cc1[nH+]c2c(n1-c1cc(C[NH3+])ncn1)CC[NH2+]CC2 ZINC001165354019 802826568 /nfs/dbraw/zinc/82/65/68/802826568.db2.gz YSGXGGPZHFFHOW-UHFFFAOYSA-N 3 2 258.329 0.118 20 0 CCADLP c1nc(N2CCC[C@H]3[NH2+]C[C@@H]32)cc(N2CCSCC2)[nH+]1 ZINC001165397523 802835848 /nfs/dbraw/zinc/83/58/48/802835848.db2.gz WGHOBCIGIWHSAN-NEPJUHHUSA-N 2 2 291.424 0.970 20 0 CCADLP c1nc(N2CCC[C@@H]3[NH2+]C[C@@H]32)cc(N2CCSCC2)[nH+]1 ZINC001165397527 802836108 /nfs/dbraw/zinc/83/61/08/802836108.db2.gz WGHOBCIGIWHSAN-RYUDHWBXSA-N 2 2 291.424 0.970 20 0 CCADLP C[C@H](O)C[NH2+]CCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001166408254 802906062 /nfs/dbraw/zinc/90/60/62/802906062.db2.gz MZSBLIYHIZOVBP-QWRGUYRKSA-N 2 2 280.372 0.306 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[NH2+]CCF ZINC001166960153 802995499 /nfs/dbraw/zinc/99/54/99/802995499.db2.gz BDPSFANNJRDRSF-GHMZBOCLSA-N 2 2 268.336 0.589 20 0 CCADLP [NH3+][C@@H]1CCN(c2ncnc3c2C[NH2+]C3)CC1(F)F ZINC001166961179 802996646 /nfs/dbraw/zinc/99/66/46/802996646.db2.gz NHYYRGDWLMGGNP-SECBINFHSA-N 2 2 255.272 0.253 20 0 CCADLP COc1ncccc1C[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205672293 803153340 /nfs/dbraw/zinc/15/33/40/803153340.db2.gz HXBFEVFFXFSGSE-CQSZACIVSA-N 2 2 265.357 0.766 20 0 CCADLP COc1ncccc1C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205672293 803153344 /nfs/dbraw/zinc/15/33/44/803153344.db2.gz HXBFEVFFXFSGSE-CQSZACIVSA-N 2 2 265.357 0.766 20 0 CCADLP Cc1[nH]c(CN2CCCC[C@@](O)(C[NH3+])C2)c(C)[nH+]1 ZINC001205726888 803167646 /nfs/dbraw/zinc/16/76/46/803167646.db2.gz ZHHZVDIYJZCFFU-CYBMUJFWSA-N 2 2 252.362 0.702 20 0 CCADLP C[C@@H]1C[N@H+](CC2=C3CCOC(=O)C3=CN[C@H]2C)C[C@H]1[NH3+] ZINC001206053327 803198926 /nfs/dbraw/zinc/19/89/26/803198926.db2.gz RKTQRJVVZIBDHZ-ISTVAULSSA-N 2 2 277.368 0.385 20 0 CCADLP C[C@@H]1C[N@@H+](CC2=C3CCOC(=O)C3=CN[C@H]2C)C[C@H]1[NH3+] ZINC001206053327 803198931 /nfs/dbraw/zinc/19/89/31/803198931.db2.gz RKTQRJVVZIBDHZ-ISTVAULSSA-N 2 2 277.368 0.385 20 0 CCADLP CCOc1cncc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206480975 803251220 /nfs/dbraw/zinc/25/12/20/803251220.db2.gz NMNRJSSPHPNNQY-WCQYABFASA-N 2 2 251.330 0.232 20 0 CCADLP CCOc1cncc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206480975 803251222 /nfs/dbraw/zinc/25/12/22/803251222.db2.gz NMNRJSSPHPNNQY-WCQYABFASA-N 2 2 251.330 0.232 20 0 CCADLP Nc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC001206480738 803252096 /nfs/dbraw/zinc/25/20/96/803252096.db2.gz JEMNXLDEYWJAIO-JOYOIKCWSA-N 2 2 255.749 0.674 20 0 CCADLP Nc1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC001206480738 803252099 /nfs/dbraw/zinc/25/20/99/803252099.db2.gz JEMNXLDEYWJAIO-JOYOIKCWSA-N 2 2 255.749 0.674 20 0 CCADLP Cc1cccn2c(C[N@@H+]3C[C@H](O)[C@@H](C[NH3+])C3)cnc12 ZINC001206512601 803255958 /nfs/dbraw/zinc/25/59/58/803255958.db2.gz QQGNUKGMYLRDOZ-AAEUAGOBSA-N 2 2 260.341 0.394 20 0 CCADLP Cc1cccn2c(C[N@H+]3C[C@H](O)[C@@H](C[NH3+])C3)cnc12 ZINC001206512601 803255959 /nfs/dbraw/zinc/25/59/59/803255959.db2.gz QQGNUKGMYLRDOZ-AAEUAGOBSA-N 2 2 260.341 0.394 20 0 CCADLP COCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206920162 803307914 /nfs/dbraw/zinc/30/79/14/803307914.db2.gz CSVYQWSOEMWPOF-VXGBXAGGSA-N 2 2 280.372 0.425 20 0 CCADLP COCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206920162 803307921 /nfs/dbraw/zinc/30/79/21/803307921.db2.gz CSVYQWSOEMWPOF-VXGBXAGGSA-N 2 2 280.372 0.425 20 0 CCADLP C[NH+](C)CC(C)(C)C[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001207283457 803378747 /nfs/dbraw/zinc/37/87/47/803378747.db2.gz YQKIXJYHYIKTMW-UHFFFAOYSA-N 3 2 270.465 0.753 20 0 CCADLP C[NH+](C)CC(C)(C)C[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001207283457 803378749 /nfs/dbraw/zinc/37/87/49/803378749.db2.gz YQKIXJYHYIKTMW-UHFFFAOYSA-N 3 2 270.465 0.753 20 0 CCADLP CN(CCN1CC[NH+](C)CC1)CC(C)(C)C[NH+](C)C ZINC001207283457 803378756 /nfs/dbraw/zinc/37/87/56/803378756.db2.gz YQKIXJYHYIKTMW-UHFFFAOYSA-N 2 2 270.465 0.753 20 0 CCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C)[NH+](CC)CC ZINC001208575823 803524500 /nfs/dbraw/zinc/52/45/00/803524500.db2.gz WFRZDPNUQOQNGG-UPJWGTAASA-N 2 2 298.431 0.029 20 0 CCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C)[NH+](CC)CC ZINC001208575823 803524504 /nfs/dbraw/zinc/52/45/04/803524504.db2.gz WFRZDPNUQOQNGG-UPJWGTAASA-N 2 2 298.431 0.029 20 0 CCADLP CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001208609829 803528025 /nfs/dbraw/zinc/52/80/25/803528025.db2.gz NIYPDDJBWOLQPL-IIAWOOMASA-N 2 2 295.427 0.555 20 0 CCADLP CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](C[C@@H]1CCC[NH+](C)C1)C2 ZINC001208609829 803528031 /nfs/dbraw/zinc/52/80/31/803528031.db2.gz NIYPDDJBWOLQPL-IIAWOOMASA-N 2 2 295.427 0.555 20 0 CCADLP CNC(=O)[C@@]12CCO[C@@H]1CC[NH+](C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001208609829 803528037 /nfs/dbraw/zinc/52/80/37/803528037.db2.gz NIYPDDJBWOLQPL-IIAWOOMASA-N 2 2 295.427 0.555 20 0 CCADLP CNC(=O)[C@@]12CCO[C@@H]1CC[NH+](C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001208609829 803528039 /nfs/dbraw/zinc/52/80/39/803528039.db2.gz NIYPDDJBWOLQPL-IIAWOOMASA-N 2 2 295.427 0.555 20 0 CCADLP C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3cncnc3)CC2)C1 ZINC001208618286 803530028 /nfs/dbraw/zinc/53/00/28/803530028.db2.gz VJMHLIOFRPTPPC-AWEZNQCLSA-N 2 2 275.400 0.940 20 0 CCADLP C[N@H+]1CCC[C@H](C[NH+]2CCN(c3cncnc3)CC2)C1 ZINC001208618286 803530031 /nfs/dbraw/zinc/53/00/31/803530031.db2.gz VJMHLIOFRPTPPC-AWEZNQCLSA-N 2 2 275.400 0.940 20 0 CCADLP C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1C)n1cc[nH+]c1 ZINC001208994637 803562201 /nfs/dbraw/zinc/56/22/01/803562201.db2.gz CXAFBQPMAHGDNZ-FRRDWIJNSA-N 2 2 280.372 0.263 20 0 CCADLP Cc1nc(NCCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001101694024 814949138 /nfs/dbraw/zinc/94/91/38/814949138.db2.gz KVUQFNQUJFLMBS-CYBMUJFWSA-N 2 2 291.399 0.997 20 0 CCADLP Cc1nc(NCCN(C)C(=O)C[C@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001101694024 814949143 /nfs/dbraw/zinc/94/91/43/814949143.db2.gz KVUQFNQUJFLMBS-CYBMUJFWSA-N 2 2 291.399 0.997 20 0 CCADLP Cc1noc(C[NH2+][C@H]2CCCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001209418429 803603570 /nfs/dbraw/zinc/60/35/70/803603570.db2.gz CJTYCCKTBCCEML-LBPRGKRZSA-N 2 2 295.387 0.410 20 0 CCADLP CO[C@@H]1C[N@@H+](C(C)C)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001213802473 803704105 /nfs/dbraw/zinc/70/41/05/803704105.db2.gz UBTJPYONHIFCMQ-ZIAGYGMSSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)[C@@H]1CC[NH3+] ZINC000404302925 803850073 /nfs/dbraw/zinc/85/00/73/803850073.db2.gz QKDVFGNWKSTEAR-QLFBSQMISA-N 3 2 269.433 0.892 20 0 CCADLP C[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)[C@@H]1CC[NH3+] ZINC000404302925 803850082 /nfs/dbraw/zinc/85/00/82/803850082.db2.gz QKDVFGNWKSTEAR-QLFBSQMISA-N 3 2 269.433 0.892 20 0 CCADLP C[C@@H]1C[N@@H+](CCc2nnc(C(C)(C)[NH3+])o2)C[C@H](C)O1 ZINC001217697029 803903105 /nfs/dbraw/zinc/90/31/05/803903105.db2.gz SZNGGKNFZDBXGU-AOOOYVTPSA-N 2 2 268.361 0.915 20 0 CCADLP C[C@@H]1C[N@H+](CCc2nnc(C(C)(C)[NH3+])o2)C[C@H](C)O1 ZINC001217697029 803903115 /nfs/dbraw/zinc/90/31/15/803903115.db2.gz SZNGGKNFZDBXGU-AOOOYVTPSA-N 2 2 268.361 0.915 20 0 CCADLP C[C@@H]([NH3+])c1nnc(CC[NH+]2C[C@@H](C)O[C@H](C)C2)o1 ZINC001217709190 803903658 /nfs/dbraw/zinc/90/36/58/803903658.db2.gz FFGFHLWZSFZGCK-OPRDCNLKSA-N 2 2 254.334 0.741 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Oc2ccc3c(c2C)CC[NH2+]C3)C[NH2+]1 ZINC001218175007 803934005 /nfs/dbraw/zinc/93/40/05/803934005.db2.gz XJVIFSCZEMCCMC-JSGCOSHPSA-N 2 2 290.363 0.923 20 0 CCADLP Cc1cnc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)nc1C ZINC001218496385 803962507 /nfs/dbraw/zinc/96/25/07/803962507.db2.gz JZHPLVPIDXXCQN-NSHDSACASA-N 2 2 274.328 0.335 20 0 CCADLP O=C(CN1CC[NH2+]CC1)Nc1cccc2[nH+]ccn21 ZINC001218497876 803963838 /nfs/dbraw/zinc/96/38/38/803963838.db2.gz BFWCNUCYXMROQY-UHFFFAOYSA-N 2 2 259.313 0.178 20 0 CCADLP [NH3+][C@H](C(=O)Nc1cccc2[nH+]ccn21)C1CC[NH2+]CC1 ZINC001218499556 803966189 /nfs/dbraw/zinc/96/61/89/803966189.db2.gz XMFZIVDQWPXOPH-ZDUSSCGKSA-N 3 2 273.340 0.600 20 0 CCADLP CSc1nccc(NC(=O)C2([NH3+])CC[NH2+]CC2)n1 ZINC001218511044 803977598 /nfs/dbraw/zinc/97/75/98/803977598.db2.gz AYZHKVXGOOHOKZ-UHFFFAOYSA-N 2 2 267.358 0.218 20 0 CCADLP Cc1[nH]nc(NC(=O)[C@@H]([NH3+])CC[NH3+])c1Br ZINC001218522900 803983636 /nfs/dbraw/zinc/98/36/36/803983636.db2.gz BPZSGAZKQRVOSW-YFKPBYRVSA-N 2 2 276.138 0.095 20 0 CCADLP Cc1nc(Cl)cc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)n1 ZINC001218525660 803985384 /nfs/dbraw/zinc/98/53/84/803985384.db2.gz YDDQLLFWAPLFRE-MRVPVSSYSA-N 2 2 280.719 0.670 20 0 CCADLP COc1ccc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)c(C)n1 ZINC001218538679 803994639 /nfs/dbraw/zinc/99/46/39/803994639.db2.gz XLVRANXGMTXURB-UDZFHETQSA-N 2 2 276.340 0.559 20 0 CCADLP Cc1ccc2c(n[nH]c2NC(=O)C2([NH3+])CC[NH2+]CC2)n1 ZINC001218542196 803996638 /nfs/dbraw/zinc/99/66/38/803996638.db2.gz MNAHFAYTERVQHZ-UHFFFAOYSA-N 2 2 274.328 0.286 20 0 CCADLP Cc1cc(F)ncc1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218549379 803999268 /nfs/dbraw/zinc/99/92/68/803999268.db2.gz OJDUDSPUBTYMGD-UHFFFAOYSA-N 2 2 252.293 0.549 20 0 CCADLP Cc1cc(F)ncc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001218549831 803999462 /nfs/dbraw/zinc/99/94/62/803999462.db2.gz SNEJEELBBYBSCF-JTQLQIEISA-N 2 2 277.303 0.771 20 0 CCADLP CN(C)c1cc[nH+]cc1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218563496 804009145 /nfs/dbraw/zinc/00/91/45/804009145.db2.gz RZJXQZJVBWYAFY-RULNRJAQSA-N 3 2 275.356 0.308 20 0 CCADLP Cc1ncc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc1Br ZINC001218567130 804012149 /nfs/dbraw/zinc/01/21/49/804012149.db2.gz NMYJJOAKGRMVBX-WPRPVWTQSA-N 2 2 299.172 0.638 20 0 CCADLP Cn1nc(C(C)(C)C)cc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218604691 804032355 /nfs/dbraw/zinc/03/23/55/804032355.db2.gz FDNDWDRCWVKTFN-BDAKNGLRSA-N 2 2 265.361 0.345 20 0 CCADLP [NH3+][C@H](C(=O)Nc1cc[nH+]c2c1CCC2)C1CC[NH2+]CC1 ZINC001218619713 804036544 /nfs/dbraw/zinc/03/65/44/804036544.db2.gz FEAFJDGLOMOGBP-AWEZNQCLSA-N 3 2 274.368 0.258 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cc(-c3ccncc3)no2)C1 ZINC001218626398 804042920 /nfs/dbraw/zinc/04/29/20/804042920.db2.gz HVJVJNAYZQZMBO-KOLCDFICSA-N 2 2 273.296 0.364 20 0 CCADLP CCOC(=O)c1cccc(NC(=O)C2([NH3+])CC[NH2+]CC2)n1 ZINC001218648490 804059628 /nfs/dbraw/zinc/05/96/28/804059628.db2.gz UQGPDHUBLMOMRB-UHFFFAOYSA-N 2 2 292.339 0.278 20 0 CCADLP COc1ccc(C)nc1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218662271 804070090 /nfs/dbraw/zinc/07/00/90/804070090.db2.gz XXEUWDMSUFWUFL-UHFFFAOYSA-N 2 2 264.329 0.418 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cc(Cl)nc3ccnn32)C1 ZINC001218745361 804105540 /nfs/dbraw/zinc/10/55/40/804105540.db2.gz JLGQRLQWXIIUBE-RQJHMYQMSA-N 2 2 280.719 0.010 20 0 CCADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[NH2+]C[C@H]1O ZINC001218812720 804131921 /nfs/dbraw/zinc/13/19/21/804131921.db2.gz XOFNPXPKXPHMQM-CHWSQXEVSA-N 2 2 272.308 0.391 20 0 CCADLP Cn1cnc2ccc(NC(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)cc21 ZINC001218884812 804147868 /nfs/dbraw/zinc/14/78/68/804147868.db2.gz BMTXWCSUMONNEO-HFAKWTLXSA-N 2 2 285.351 0.734 20 0 CCADLP CC(=O)c1ccc(NC(=O)[C@@H]([NH3+])CC[NH3+])c(F)c1 ZINC001218944590 804164381 /nfs/dbraw/zinc/16/43/81/804164381.db2.gz DPDFFZFBUUGZRS-JTQLQIEISA-N 2 2 253.277 0.643 20 0 CCADLP CCOC(=O)Nc1ccc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc1 ZINC001218952067 804165950 /nfs/dbraw/zinc/16/59/50/804165950.db2.gz ZIHWNRFTJADYHX-NSHDSACASA-N 2 2 280.328 0.870 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc2c1CC(=O)NC2 ZINC001219369848 804290602 /nfs/dbraw/zinc/29/06/02/804290602.db2.gz RNDROXVUKHZBKM-LBPRGKRZSA-N 2 2 299.334 0.091 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc2oc(=O)ccc2c1 ZINC001219390973 804296345 /nfs/dbraw/zinc/29/63/45/804296345.db2.gz ICKGATLDOXOFOP-QWRGUYRKSA-N 2 2 273.292 0.278 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000312379720 804324054 /nfs/dbraw/zinc/32/40/54/804324054.db2.gz NXIYYHUGJHDJRO-SOUVJXGZSA-N 2 2 289.379 0.225 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000312379720 804324064 /nfs/dbraw/zinc/32/40/64/804324064.db2.gz NXIYYHUGJHDJRO-SOUVJXGZSA-N 2 2 289.379 0.225 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1O ZINC001219550471 804342219 /nfs/dbraw/zinc/34/22/19/804342219.db2.gz ARNXMDWXKACVLW-OLZOCXBDSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1O ZINC001219550471 804342225 /nfs/dbraw/zinc/34/22/25/804342225.db2.gz ARNXMDWXKACVLW-OLZOCXBDSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(N[C@@H]1CCCC[C@H]1F)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219671969 804399628 /nfs/dbraw/zinc/39/96/28/804399628.db2.gz YLAQYLULAKVYNT-SBFPOUOMSA-N 2 2 255.337 0.335 20 0 CCADLP C[C@@H]1CCCC[C@@H]1CNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219673633 804402317 /nfs/dbraw/zinc/40/23/17/804402317.db2.gz LKTRXCUGIYZMGB-RGCMKSIDSA-N 2 2 265.401 0.880 20 0 CCADLP Cn1c(CNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)cc2ccccc21 ZINC001219934977 804451785 /nfs/dbraw/zinc/45/17/85/804451785.db2.gz WDGHUMBIJCVTTC-SUMWQHHRSA-N 2 2 298.390 0.746 20 0 CCADLP CC(C)[C@@](C)(NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)C(N)=O ZINC001220022305 804475312 /nfs/dbraw/zinc/47/53/12/804475312.db2.gz FMFUGMAUAFNOPL-SWLSCSKDSA-N 2 2 292.383 0.275 20 0 CCADLP Cc1ccc2c(CCNC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)c[nH]c2c1 ZINC001220075205 804493917 /nfs/dbraw/zinc/49/39/17/804493917.db2.gz CPLCEMDWFGGCQX-DOMZBBRYSA-N 2 2 286.379 0.824 20 0 CCADLP C=Cc1ccc(CNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)cc1 ZINC001220219102 804541068 /nfs/dbraw/zinc/54/10/68/804541068.db2.gz PTCUCKMWJAUIFQ-ZBFHGGJFSA-N 2 2 271.364 0.897 20 0 CCADLP C[C@@H](CCCC(C)(C)O)NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220242587 804546577 /nfs/dbraw/zinc/54/65/77/804546577.db2.gz DYGIINJWEUAWJL-CMPLNLGQSA-N 2 2 282.388 0.725 20 0 CCADLP Cc1ccc([C@H](C)NC(=O)C2([NH3+])CC[NH2+]CC2)nc1 ZINC001220266094 804554589 /nfs/dbraw/zinc/55/45/89/804554589.db2.gz HQURTHRVPVYOMN-NSHDSACASA-N 2 2 262.357 0.648 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC001220274579 804558642 /nfs/dbraw/zinc/55/86/42/804558642.db2.gz JJKDCYAUXUOLKW-AAEUAGOBSA-N 2 2 280.372 0.534 20 0 CCADLP CCCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001220441439 804604550 /nfs/dbraw/zinc/60/45/50/804604550.db2.gz CADCPOXXBYUOMZ-MCIONIFRSA-N 2 2 294.399 0.796 20 0 CCADLP CCCC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001220441439 804604556 /nfs/dbraw/zinc/60/45/56/804604556.db2.gz CADCPOXXBYUOMZ-MCIONIFRSA-N 2 2 294.399 0.796 20 0 CCADLP CC(C)[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001220441821 804606076 /nfs/dbraw/zinc/60/60/76/804606076.db2.gz PJJDJLQFCMSTKI-XQQFMLRXSA-N 2 2 280.372 0.404 20 0 CCADLP CC(C)[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001220441821 804606079 /nfs/dbraw/zinc/60/60/79/804606079.db2.gz PJJDJLQFCMSTKI-XQQFMLRXSA-N 2 2 280.372 0.404 20 0 CCADLP [NH3+]C1(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)CC[NH2+]CC1 ZINC001220468737 804610546 /nfs/dbraw/zinc/61/05/46/804610546.db2.gz GDADMDJPIKSTAL-QWHCGFSZSA-N 2 2 277.343 0.879 20 0 CCADLP C[C@@H]1COCC[C@H]1NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220566150 804625303 /nfs/dbraw/zinc/62/53/03/804625303.db2.gz ZYWUUOCKQVETIW-LERXQTSPSA-N 2 2 277.368 0.800 20 0 CCADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@]13C[NH2+]C[C@H]1CC[NH2+]3)C2 ZINC001220717065 804654690 /nfs/dbraw/zinc/65/46/90/804654690.db2.gz YILWEBZSJMHAHC-AQDIXCGQSA-N 3 2 292.427 0.069 20 0 CCADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@]13C[NH2+]C[C@H]1CC[NH2+]3)C2 ZINC001220717065 804654695 /nfs/dbraw/zinc/65/46/95/804654695.db2.gz YILWEBZSJMHAHC-AQDIXCGQSA-N 3 2 292.427 0.069 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC1CC2(C1)CC(F)(F)C2 ZINC001220736568 804658376 /nfs/dbraw/zinc/65/83/76/804658376.db2.gz NDCYVQFSJSETKY-NSHDSACASA-N 2 2 298.337 0.984 20 0 CCADLP C[C@H](CNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)CC(C)(C)CC[NH3+] ZINC001220763544 804661886 /nfs/dbraw/zinc/66/18/86/804661886.db2.gz FZWCOUNZWQTVST-AAEUAGOBSA-N 3 2 295.431 0.797 20 0 CCADLP C[C@H](CNC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])CC(C)(C)CC[NH3+] ZINC001220766758 804663672 /nfs/dbraw/zinc/66/36/72/804663672.db2.gz WXDPUNOWTAJAKF-SRVKXCTJSA-N 3 2 270.421 0.051 20 0 CCADLP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@]1(C)CC(F)(F)C[NH2+]1 ZINC001220857838 804682999 /nfs/dbraw/zinc/68/29/99/804682999.db2.gz UPKJDMSVEGVGTE-KWQFWETISA-N 2 2 263.332 0.863 20 0 CCADLP C[N@@H+]1CCCn2nc(C(=O)N[C@@H]3CCC[NH2+]C3)cc2C1 ZINC001220898261 804696083 /nfs/dbraw/zinc/69/60/83/804696083.db2.gz DEVBXSKFTWVUDW-LLVKDONJSA-N 2 2 277.372 0.200 20 0 CCADLP C[N@H+]1CCCn2nc(C(=O)N[C@@H]3CCC[NH2+]C3)cc2C1 ZINC001220898261 804696087 /nfs/dbraw/zinc/69/60/87/804696087.db2.gz DEVBXSKFTWVUDW-LLVKDONJSA-N 2 2 277.372 0.200 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2cccc(-c3c[nH]cn3)c2)C1 ZINC001221303143 804771549 /nfs/dbraw/zinc/77/15/49/804771549.db2.gz IPZNMKMJXFAENM-OLZOCXBDSA-N 2 2 285.351 0.382 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1cccc(C(F)(F)F)n1 ZINC001221395055 804800155 /nfs/dbraw/zinc/80/01/55/804800155.db2.gz ZALWFYOKQZGJCN-IUCAKERBSA-N 2 2 288.273 0.263 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)NCCOc2cc[nH+]cc2)C1 ZINC001221394287 804800802 /nfs/dbraw/zinc/80/08/02/804800802.db2.gz ZBENBMXZEVGJDX-DGCLKSJQSA-N 2 2 263.341 0.965 20 0 CCADLP C[C@@]1(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)CCCOC1 ZINC001221403461 804806779 /nfs/dbraw/zinc/80/67/79/804806779.db2.gz SUVQVUAQRCXHET-UKRRQHHQSA-N 2 2 277.368 0.944 20 0 CCADLP CSc1ncc(CN2CC[NH2+]C3(CC[NH2+]CC3)C2)cn1 ZINC001222091089 804867083 /nfs/dbraw/zinc/86/70/83/804867083.db2.gz ORRGZHMADAOKBK-UHFFFAOYSA-N 2 2 293.440 0.726 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222099175 804867451 /nfs/dbraw/zinc/86/74/51/804867451.db2.gz UHUQLUQMRFODJB-STQMWFEESA-N 2 2 280.372 0.499 20 0 CCADLP C(C[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1)[C@@H]1C[NH2+]CCO1 ZINC001222385230 804896457 /nfs/dbraw/zinc/89/64/57/804896457.db2.gz IHBJVSCGMDWSAS-CABCVRRESA-N 3 2 267.417 0.973 20 0 CCADLP C(C[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1)[C@@H]1C[NH2+]CCO1 ZINC001222385230 804896463 /nfs/dbraw/zinc/89/64/63/804896463.db2.gz IHBJVSCGMDWSAS-CABCVRRESA-N 3 2 267.417 0.973 20 0 CCADLP OCc1ccc(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001222492532 804905855 /nfs/dbraw/zinc/90/58/55/804905855.db2.gz ZQAVCGJOFSJZKL-HOTGVXAUSA-N 2 2 275.396 0.705 20 0 CCADLP OCc1ccc(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001222492532 804905857 /nfs/dbraw/zinc/90/58/57/804905857.db2.gz ZQAVCGJOFSJZKL-HOTGVXAUSA-N 2 2 275.396 0.705 20 0 CCADLP CCC[N@@H+]1CC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001276890388 804971222 /nfs/dbraw/zinc/97/12/22/804971222.db2.gz BBNQYQKNVMDNIK-LBPRGKRZSA-N 2 2 264.373 0.953 20 0 CCADLP CCC[N@H+]1CC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001276890388 804971226 /nfs/dbraw/zinc/97/12/26/804971226.db2.gz BBNQYQKNVMDNIK-LBPRGKRZSA-N 2 2 264.373 0.953 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H](C[NH2+]CCF)C1 ZINC001277063053 805149613 /nfs/dbraw/zinc/14/96/13/805149613.db2.gz ORMBZPGLPTWCGI-MGCOHNPYSA-N 2 2 254.309 0.406 20 0 CCADLP CCOCC[NH+]1CCC(NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001227137687 805326192 /nfs/dbraw/zinc/32/61/92/805326192.db2.gz DTBKGFFNYLVWGO-UHFFFAOYSA-N 2 2 294.399 0.959 20 0 CCADLP C[C@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCO)n1cc[nH+]c1 ZINC001228835588 805482941 /nfs/dbraw/zinc/48/29/41/805482941.db2.gz GPPBETSMZDVGQA-MGPQQGTHSA-N 2 2 294.399 0.844 20 0 CCADLP Cc1nonc1C[N@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001277384917 805530251 /nfs/dbraw/zinc/53/02/51/805530251.db2.gz ZKEGMFDYXCVEJE-GXTWGEPZSA-N 2 2 279.388 0.446 20 0 CCADLP Cc1nonc1C[N@@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001277384917 805530254 /nfs/dbraw/zinc/53/02/54/805530254.db2.gz ZKEGMFDYXCVEJE-GXTWGEPZSA-N 2 2 279.388 0.446 20 0 CCADLP COc1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCC[NH2+]C1 ZINC001245978601 807104962 /nfs/dbraw/zinc/10/49/62/807104962.db2.gz CTGWQLLIMUNHQR-STQMWFEESA-N 2 2 280.368 0.777 20 0 CCADLP C[NH+](C)C1CCC([NH2+]C2(CO)CC[NH+](C)CC2)CC1 ZINC001168314257 815089697 /nfs/dbraw/zinc/08/96/97/815089697.db2.gz AAYSRXUZIKQPLR-UHFFFAOYSA-N 3 2 269.433 0.906 20 0 CCADLP C[C@H]1[NH2+]CCC[C@H]1C[NH2+]C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001245985027 807106849 /nfs/dbraw/zinc/10/68/49/807106849.db2.gz SECJJXYXCPKUPR-BSWAZPDLSA-N 3 2 291.439 0.895 20 0 CCADLP CC(C)[C@H](O)C[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001245987456 807108163 /nfs/dbraw/zinc/10/81/63/807108163.db2.gz SCHNUVPTVYMCPM-CHWSQXEVSA-N 3 2 255.406 0.467 20 0 CCADLP Cc1ccccc1OC[C@H](O)C[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246008983 807114440 /nfs/dbraw/zinc/11/44/40/807114440.db2.gz IEOIVKSUZQUSBM-OAHLLOKOSA-N 3 2 295.427 0.653 20 0 CCADLP C[C@@H]1CC[N@H+](C[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)C[C@H]1C[NH3+] ZINC001246022320 807120881 /nfs/dbraw/zinc/12/08/81/807120881.db2.gz QRGMUBHLJGWXOA-MXASKKJJSA-N 3 2 291.439 0.834 20 0 CCADLP C[C@@H]1CC[N@@H+](C[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)C[C@H]1C[NH3+] ZINC001246022320 807120884 /nfs/dbraw/zinc/12/08/84/807120884.db2.gz QRGMUBHLJGWXOA-MXASKKJJSA-N 3 2 291.439 0.834 20 0 CCADLP CCCCC[C@H](O)CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001246024861 807123570 /nfs/dbraw/zinc/12/35/70/807123570.db2.gz QLWSBEGEBBPDFW-KKUMJFAQSA-N 2 2 269.433 0.953 20 0 CCADLP COCCc1ccc(OC[C@H](O)C[N@H+](C)C[C@H](C)[NH3+])cc1 ZINC001246058691 807136488 /nfs/dbraw/zinc/13/64/88/807136488.db2.gz KWYCKASUNMPNFZ-DZGCQCFKSA-N 2 2 296.411 0.894 20 0 CCADLP COCCc1ccc(OC[C@H](O)C[N@@H+](C)C[C@H](C)[NH3+])cc1 ZINC001246058691 807136491 /nfs/dbraw/zinc/13/64/91/807136491.db2.gz KWYCKASUNMPNFZ-DZGCQCFKSA-N 2 2 296.411 0.894 20 0 CCADLP CC[C@@]1(C(=O)OC)C[C@@H](N[C@H]2C[NH2+]CC[C@H]2C)C[NH2+]1 ZINC001246094199 807150812 /nfs/dbraw/zinc/15/08/12/807150812.db2.gz DNZZNYFRHRUPDX-NMKXLXIOSA-N 2 2 269.389 0.258 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](C)C[NH2+]2)CN1 ZINC001246109513 807155499 /nfs/dbraw/zinc/15/54/99/807155499.db2.gz XTOXEIRJRAHUFT-CYDGBPFRSA-N 2 2 269.389 0.258 20 0 CCADLP CC(=O)N1CCC[C@H]([NH2+]C[C@@H]2CC[C@@H](C)C[NH2+]2)C1 ZINC001246108950 807155894 /nfs/dbraw/zinc/15/58/94/807155894.db2.gz XDKLXFVGBLFMRY-XBFCOCLRSA-N 2 2 253.390 0.975 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N2C[C@@H]([NH3+])Cc3ccccc32)C[NH2+]1 ZINC001246113760 807157302 /nfs/dbraw/zinc/15/73/02/807157302.db2.gz KIEHZEMJZBXLPR-XQQFMLRXSA-N 2 2 275.352 0.280 20 0 CCADLP CCN1CC[C@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1=O ZINC001246151268 807169189 /nfs/dbraw/zinc/16/91/89/807169189.db2.gz XHHZZBKIQCOMDD-UONOGXRCSA-N 3 2 294.443 0.461 20 0 CCADLP C1CC[C@@]2(C[NH2+]CCO2)[C@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC001246159750 807172749 /nfs/dbraw/zinc/17/27/49/807172749.db2.gz JZKOSMDGLHAPKI-ZIAGYGMSSA-N 3 2 253.390 0.629 20 0 CCADLP CCCC[N@H+](C)CCN[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246168919 807173118 /nfs/dbraw/zinc/17/31/18/807173118.db2.gz GLAJZIIXDTWCME-RYUDHWBXSA-N 2 2 257.378 0.211 20 0 CCADLP CCCC[N@@H+](C)CCN[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246168919 807173123 /nfs/dbraw/zinc/17/31/23/807173123.db2.gz GLAJZIIXDTWCME-RYUDHWBXSA-N 2 2 257.378 0.211 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCC[NH2+]2)CN1 ZINC001246169795 807174111 /nfs/dbraw/zinc/17/41/11/807174111.db2.gz OCCPWGUMPPIAMA-UPJWGTAASA-N 2 2 269.389 0.402 20 0 CCADLP CC[C@@]1(C(=O)OC)C[C@H](N[C@@H]2CCCC[C@H]2[NH3+])C[NH2+]1 ZINC001246175776 807176451 /nfs/dbraw/zinc/17/64/51/807176451.db2.gz MVRJHMZABYBHGL-SFTQSGBHSA-N 2 2 269.389 0.530 20 0 CCADLP CCOC(=O)C(C)(C)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246194489 807182818 /nfs/dbraw/zinc/18/28/18/807182818.db2.gz HXFUSCOQRFYSBD-SNVBAGLBSA-N 2 2 255.362 0.012 20 0 CCADLP CC(C)(C)OC(=O)C(C)(C)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246266654 807202546 /nfs/dbraw/zinc/20/25/46/807202546.db2.gz XVVRMZGTBFDFOY-NSHDSACASA-N 2 2 283.416 0.790 20 0 CCADLP CCOC(=O)[C@H](CC1CCC1)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246285194 807206619 /nfs/dbraw/zinc/20/66/19/807206619.db2.gz FTQDIVOPDVJJBH-KGLIPLIRSA-N 2 2 295.427 0.792 20 0 CCADLP OC[C@H]1C[NH2+]C[C@H]1[NH2+]C1CCN(c2cccc(F)c2)CC1 ZINC001246299305 807212170 /nfs/dbraw/zinc/21/21/70/807212170.db2.gz KUZBVGAREWMXSC-MLGOLLRUSA-N 2 2 293.386 0.964 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC001246302032 807214693 /nfs/dbraw/zinc/21/46/93/807214693.db2.gz ZVSHRALLNBIAOE-XJKSGUPXSA-N 2 2 275.396 0.825 20 0 CCADLP OC[C@H]1C[NH2+]C[C@H]1[NH2+]C1Cc2cc(F)c(F)cc2C1 ZINC001246306754 807216832 /nfs/dbraw/zinc/21/68/32/807216832.db2.gz LHCYUHVIJCTYNZ-QMTHXVAHSA-N 2 2 268.307 0.602 20 0 CCADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H]1C[NH2+]C[C@@H]1CO ZINC001246308996 807217191 /nfs/dbraw/zinc/21/71/91/807217191.db2.gz QMWGTIRUSWJTTH-MCIONIFRSA-N 2 2 292.379 0.906 20 0 CCADLP C[C@@H]1C[C@H](n2c[nH+]cc2CCNC(=O)CC[NH3+])CC[NH2+]1 ZINC001246321980 807221271 /nfs/dbraw/zinc/22/12/71/807221271.db2.gz FDVMSJUXPVTSKY-VXGBXAGGSA-N 3 2 279.388 0.204 20 0 CCADLP CCCC[C@H]1C[C@@H]([NH2+]CCN2CC[NH2+]CC2=O)CC[NH2+]1 ZINC001246355145 807232237 /nfs/dbraw/zinc/23/22/37/807232237.db2.gz JDBUSIDEGORCIC-KBPBESRZSA-N 3 2 282.432 0.319 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Nc2cccc(CC[NH3+])c2)C[NH2+]1 ZINC001246368272 807236661 /nfs/dbraw/zinc/23/66/61/807236661.db2.gz XIQKKXNUNPSWBK-OLZOCXBDSA-N 2 2 263.341 0.503 20 0 CCADLP COC(=O)[C@H](CCC[NH3+])[NH2+][C@H](C)Cc1cccnc1 ZINC001246401533 807243802 /nfs/dbraw/zinc/24/38/02/807243802.db2.gz MTPZYWGLGYNQNC-YPMHNXCESA-N 2 2 265.357 0.883 20 0 CCADLP COCCOc1nccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC001246436565 807251081 /nfs/dbraw/zinc/25/10/81/807251081.db2.gz XKQLFTCNTFIBKM-ONXXMXGDSA-N 2 2 292.383 0.874 20 0 CCADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246464737 807257918 /nfs/dbraw/zinc/25/79/18/807257918.db2.gz GEYIKPLDDAEFPF-SCRDCRAPSA-N 2 2 294.399 0.624 20 0 CCADLP CCCCCOC(=O)C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246477898 807260223 /nfs/dbraw/zinc/26/02/23/807260223.db2.gz IVWUZNBIUXGLCW-LBPRGKRZSA-N 2 2 269.389 0.403 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H](O)[C@@H]([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246493366 807264427 /nfs/dbraw/zinc/26/44/27/807264427.db2.gz AQVQNDVQOWEWRS-ZSLBOAEBSA-N 2 2 284.400 0.809 20 0 CCADLP C[NH+]1CCC([NH2+][C@@H](CCCC[NH3+])C(=O)N2CCCC2)CC1 ZINC001246517582 807270220 /nfs/dbraw/zinc/27/02/20/807270220.db2.gz DHNSSGMHFJXMFY-HNNXBMFYSA-N 3 2 296.459 0.790 20 0 CCADLP C1C[C@H]2CC([NH+]3CCC4(CC3)C[NH2+]CCO4)C[C@@H]1[NH2+]2 ZINC001246605374 807320278 /nfs/dbraw/zinc/32/02/78/807320278.db2.gz UMSFOBXCBJBFAQ-PBWFPOADSA-N 3 2 265.401 0.724 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)CN1 ZINC001246692778 807355559 /nfs/dbraw/zinc/35/55/59/807355559.db2.gz OOSGPKOKJYLNED-XPCVCDNBSA-N 2 2 299.390 0.304 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)CN1 ZINC001246692778 807355567 /nfs/dbraw/zinc/35/55/67/807355567.db2.gz OOSGPKOKJYLNED-XPCVCDNBSA-N 2 2 299.390 0.304 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N2CCCC[C@H]2C[NH+]2CCCC2)C[NH2+]1 ZINC001246784668 807376176 /nfs/dbraw/zinc/37/61/76/807376176.db2.gz HQQZWHPVCBSBRB-KKUMJFAQSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@H]1CC[C@H]([NH+]2CCC(C(=O)N3CCOCC3)CC2)C[NH2+]1 ZINC001246782263 807376525 /nfs/dbraw/zinc/37/65/25/807376525.db2.gz RESRQYNWCVELDJ-ZFWWWQNUSA-N 2 2 295.427 0.698 20 0 CCADLP COC(=O)C1(N)CC[NH+]([C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246814412 807390610 /nfs/dbraw/zinc/39/06/10/807390610.db2.gz RSBUTRBQAQSGTD-GHMZBOCLSA-N 2 2 255.362 0.093 20 0 CCADLP CCN(CC[NH+]1CCOCC1)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246839434 807401997 /nfs/dbraw/zinc/40/19/97/807401997.db2.gz BFMVCSHTGZVKEI-ZIAGYGMSSA-N 2 2 255.406 0.781 20 0 CCADLP CCOC(=O)[C@H]1CC[C@H]([N@@H+]2CCC[C@@H]2C[NH3+])CO1 ZINC001246917671 807427120 /nfs/dbraw/zinc/42/71/20/807427120.db2.gz SCDDWWGSIJNQGK-GRYCIOLGSA-N 2 2 256.346 0.520 20 0 CCADLP CCOC(=O)[C@H]1CC[C@H]([N@H+]2CCC[C@@H]2C[NH3+])CO1 ZINC001246917671 807427123 /nfs/dbraw/zinc/42/71/23/807427123.db2.gz SCDDWWGSIJNQGK-GRYCIOLGSA-N 2 2 256.346 0.520 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2C[NH3+])CO1 ZINC001246917682 807429320 /nfs/dbraw/zinc/42/93/20/807429320.db2.gz SCDDWWGSIJNQGK-UTUOFQBUSA-N 2 2 256.346 0.520 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H]2C[NH3+])CO1 ZINC001246917682 807429323 /nfs/dbraw/zinc/42/93/23/807429323.db2.gz SCDDWWGSIJNQGK-UTUOFQBUSA-N 2 2 256.346 0.520 20 0 CCADLP COC(=O)[C@@H]1C[N@H+]([C@@H]2CCC[C@H](OC)C2)C[C@@H]1[NH3+] ZINC001246933360 807433418 /nfs/dbraw/zinc/43/34/18/807433418.db2.gz IDJCYPMGIHAWNB-KXNHARMFSA-N 2 2 256.346 0.376 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCC[C@H](OC)C2)C[C@@H]1[NH3+] ZINC001246933360 807433423 /nfs/dbraw/zinc/43/34/23/807433423.db2.gz IDJCYPMGIHAWNB-KXNHARMFSA-N 2 2 256.346 0.376 20 0 CCADLP CC[NH+]1C[C@@H]2C[NH+](Cc3cccc(=O)n3C)C[C@H]2C1 ZINC001248810061 807527579 /nfs/dbraw/zinc/52/75/79/807527579.db2.gz WMJBPZKKWXBKRY-CHWSQXEVSA-N 2 2 261.369 0.769 20 0 CCADLP Cc1nc(-c2noc(C[C@@H]([NH3+])C[NH3+])n2)ccc1F ZINC001249128609 807544442 /nfs/dbraw/zinc/54/44/42/807544442.db2.gz MDFMSUWHIYZNQF-SSDOTTSWSA-N 2 2 251.265 0.408 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@@](C)(C[NH2+]CCO)C1 ZINC001278577281 807602724 /nfs/dbraw/zinc/60/27/24/807602724.db2.gz OCCASOINQJMIDW-HNNXBMFYSA-N 2 2 294.399 0.173 20 0 CCADLP CC[N@H+]1C[C@@H]2C[NH+](C[C@@H](O)C(F)(F)F)C[C@@H]2C1 ZINC001250976271 807628546 /nfs/dbraw/zinc/62/85/46/807628546.db2.gz AUAJSBKXAUEIQG-KXUCPTDWSA-N 2 2 252.280 0.793 20 0 CCADLP CC[N@@H+]1C[C@@H]2C[NH+](C[C@@H](O)C(F)(F)F)C[C@@H]2C1 ZINC001250976271 807628548 /nfs/dbraw/zinc/62/85/48/807628548.db2.gz AUAJSBKXAUEIQG-KXUCPTDWSA-N 2 2 252.280 0.793 20 0 CCADLP CC[NH+]1C[C@@H]2C[N@@H+](C[C@@H](O)C(F)(F)F)C[C@@H]2C1 ZINC001250976271 807628549 /nfs/dbraw/zinc/62/85/49/807628549.db2.gz AUAJSBKXAUEIQG-KXUCPTDWSA-N 2 2 252.280 0.793 20 0 CCADLP CC[NH+]1C[C@@H]2C[N@H+](C[C@@H](O)C(F)(F)F)C[C@@H]2C1 ZINC001250976271 807628551 /nfs/dbraw/zinc/62/85/51/807628551.db2.gz AUAJSBKXAUEIQG-KXUCPTDWSA-N 2 2 252.280 0.793 20 0 CCADLP CCN(CC[NH+]1CCCC1)C[C@H](O)C[NH+]1CCOCC1 ZINC001251015949 807642682 /nfs/dbraw/zinc/64/26/82/807642682.db2.gz PPQTZHRQFFNZPK-HNNXBMFYSA-N 2 2 285.432 0.097 20 0 CCADLP COC(=O)[C@H](O)C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001252421265 807832870 /nfs/dbraw/zinc/83/28/70/807832870.db2.gz ANINZZKHFNJSSV-CQSZACIVSA-N 2 2 289.335 0.838 20 0 CCADLP COC(=O)[C@H](O)C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001252421265 807832876 /nfs/dbraw/zinc/83/28/76/807832876.db2.gz ANINZZKHFNJSSV-CQSZACIVSA-N 2 2 289.335 0.838 20 0 CCADLP CC(C)S(=O)(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001252438537 807854227 /nfs/dbraw/zinc/85/42/27/807854227.db2.gz HGLHXZOQCCMQGQ-UHFFFAOYSA-N 2 2 298.412 0.984 20 0 CCADLP C[NH+]1CC(C[NH2+]C[C@@H](O)COc2ccc(CCO)cc2)C1 ZINC001253165336 808015044 /nfs/dbraw/zinc/01/50/44/808015044.db2.gz JWEYHTNKUVLAQY-OAHLLOKOSA-N 2 2 294.395 0.112 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@@]2(CCCC(=O)N2)C1 ZINC001253186512 808023136 /nfs/dbraw/zinc/02/31/36/808023136.db2.gz ZHEFAZNGLHRTQU-ZBFHGGJFSA-N 2 2 297.443 0.824 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@@]2(CCCC(=O)N2)C1 ZINC001253186512 808023139 /nfs/dbraw/zinc/02/31/39/808023139.db2.gz ZHEFAZNGLHRTQU-ZBFHGGJFSA-N 2 2 297.443 0.824 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@H](CC(=O)OC)C1 ZINC001253192308 808027339 /nfs/dbraw/zinc/02/73/39/808027339.db2.gz OIMLNIZLBRKCDR-OLZOCXBDSA-N 2 2 272.389 0.574 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@H](CC(=O)OC)C1 ZINC001253192308 808027347 /nfs/dbraw/zinc/02/73/47/808027347.db2.gz OIMLNIZLBRKCDR-OLZOCXBDSA-N 2 2 272.389 0.574 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC001253201945 808027955 /nfs/dbraw/zinc/02/79/55/808027955.db2.gz BXYFJMDQHQTBJD-VNQPRFMTSA-N 2 2 278.396 0.937 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+][C@H](C(N)=O)C(C)(C)C ZINC001253210948 808032993 /nfs/dbraw/zinc/03/29/93/808032993.db2.gz QFQLLAZOVDEWOE-GHMZBOCLSA-N 2 2 259.394 0.179 20 0 CCADLP C[C@@H]1C[NH+](C2CN(C[C@H](O)C[NH2+]C(C)(C)C)C2)C[C@@H](C)O1 ZINC001253396661 808056936 /nfs/dbraw/zinc/05/69/36/808056936.db2.gz CALQKFCOULLMTA-UMVBOHGHSA-N 2 2 299.459 0.529 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)C[N@@H+](C)C(C)C ZINC001142590313 815183131 /nfs/dbraw/zinc/18/31/31/815183131.db2.gz SNOYFYIGBQVORH-UHFFFAOYSA-N 2 2 268.361 0.486 20 0 CCADLP CCOC(=O)C[NH+]1CCC(n2ccnc2C[NH3+])CC1 ZINC001254391894 808230259 /nfs/dbraw/zinc/23/02/59/808230259.db2.gz ZOIZNEMWELSDQE-UHFFFAOYSA-N 2 2 266.345 0.542 20 0 CCADLP C[N@@H+]1CCC[C@@H](N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)CC1 ZINC001254509426 808248081 /nfs/dbraw/zinc/24/80/81/808248081.db2.gz NGDVIXVPKCXJKP-CABCVRRESA-N 3 2 266.433 0.483 20 0 CCADLP C[N@H+]1CCC[C@@H](N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)CC1 ZINC001254509426 808248087 /nfs/dbraw/zinc/24/80/87/808248087.db2.gz NGDVIXVPKCXJKP-CABCVRRESA-N 3 2 266.433 0.483 20 0 CCADLP CCOC(=O)[C@@H]([NH3+])Cc1cn([C@H]2CCC[N@H+](C)CC2)cn1 ZINC001254515324 808251394 /nfs/dbraw/zinc/25/13/94/808251394.db2.gz VXRUBXBNKAWZGN-KBPBESRZSA-N 2 2 294.399 0.973 20 0 CCADLP CCOC(=O)[C@@H]([NH3+])Cc1cn([C@H]2CCC[N@@H+](C)CC2)cn1 ZINC001254515324 808251399 /nfs/dbraw/zinc/25/13/99/808251399.db2.gz VXRUBXBNKAWZGN-KBPBESRZSA-N 2 2 294.399 0.973 20 0 CCADLP O=C1CC[C@H](C[NH2+][C@H]2CC3CC[NH+](CC3)C2)CN1 ZINC001254836410 808284201 /nfs/dbraw/zinc/28/42/01/808284201.db2.gz ASAJYGXAVJKJJL-OLZOCXBDSA-N 2 2 251.374 0.587 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])NC2Cc3ccccc3C2)CC1 ZINC001255014435 808307053 /nfs/dbraw/zinc/30/70/53/808307053.db2.gz VHSFJUTZVAWSFB-UHFFFAOYSA-N 2 2 258.369 0.926 20 0 CCADLP [NH3+]CCC(=O)NCCc1c[nH+]cn1C1CCSCC1 ZINC001255082141 808315188 /nfs/dbraw/zinc/31/51/88/808315188.db2.gz SQPFMNUUOJHROU-UHFFFAOYSA-N 2 2 282.413 0.959 20 0 CCADLP COC1CCC([NH2+]C2(CO)CC[NH+](C)CC2)CC1 ZINC001255456107 808376183 /nfs/dbraw/zinc/37/61/83/808376183.db2.gz YPJOUCONLKDFNM-UHFFFAOYSA-N 2 2 256.390 0.990 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC001255561341 808402017 /nfs/dbraw/zinc/40/20/17/808402017.db2.gz AFDGHRSHYWQXHF-SNPRPXQTSA-N 2 2 263.385 0.823 20 0 CCADLP OC[C@@H]1CC[N@@H+](C2CC[NH+](C3CC3)CC2)C[C@@H]1O ZINC001256072790 808467183 /nfs/dbraw/zinc/46/71/83/808467183.db2.gz HWTVLHYGGZJGSL-FZMZJTMJSA-N 2 2 254.374 0.288 20 0 CCADLP OC[C@@H]1CC[N@H+](C2CC[NH+](C3CC3)CC2)C[C@@H]1O ZINC001256072790 808467189 /nfs/dbraw/zinc/46/71/89/808467189.db2.gz HWTVLHYGGZJGSL-FZMZJTMJSA-N 2 2 254.374 0.288 20 0 CCADLP COC(=O)CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C(N)=O ZINC001256071921 808468132 /nfs/dbraw/zinc/46/81/32/808468132.db2.gz CWXXZRFFYUPAGO-LBPRGKRZSA-N 2 2 283.372 0.010 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](C(=O)OC)C[NH+](C2CC[NH+](C)CC2)C1 ZINC001256208274 808479170 /nfs/dbraw/zinc/47/91/70/808479170.db2.gz BYHAQJJEZPQDCH-VXGBXAGGSA-N 2 2 298.383 0.365 20 0 CCADLP C[C@@H](CC(=O)N1CCOCC1)[NH2+]CC[NH+]1CCCC1 ZINC001256316419 808490843 /nfs/dbraw/zinc/49/08/43/808490843.db2.gz RCMUKXIGLHHSDL-ZDUSSCGKSA-N 2 2 269.389 0.309 20 0 CCADLP C[C@@H](CC(=O)N1CCOCC1)n1cc[nH+]c1CC[NH3+] ZINC001256320476 808492286 /nfs/dbraw/zinc/49/22/86/808492286.db2.gz OQGGEYSTCHFOHK-NSHDSACASA-N 2 2 266.345 0.194 20 0 CCADLP CCC[N@H+]1C[C@@H]2C[NH+](C3CCS(=O)(=O)CC3)C[C@@H]2C1 ZINC001256393161 808523334 /nfs/dbraw/zinc/52/33/34/808523334.db2.gz RDJKQEDPRKVCDF-BETUJISGSA-N 2 2 286.441 0.837 20 0 CCADLP CCC[N@@H+]1C[C@@H]2C[NH+](C3CCS(=O)(=O)CC3)C[C@@H]2C1 ZINC001256393161 808523339 /nfs/dbraw/zinc/52/33/39/808523339.db2.gz RDJKQEDPRKVCDF-BETUJISGSA-N 2 2 286.441 0.837 20 0 CCADLP CCC[NH+]1C[C@@H]2C[N@H+](C3CCS(=O)(=O)CC3)C[C@@H]2C1 ZINC001256393161 808523345 /nfs/dbraw/zinc/52/33/45/808523345.db2.gz RDJKQEDPRKVCDF-BETUJISGSA-N 2 2 286.441 0.837 20 0 CCADLP CCC[NH+]1C[C@@H]2C[N@@H+](C3CCS(=O)(=O)CC3)C[C@@H]2C1 ZINC001256393161 808523347 /nfs/dbraw/zinc/52/33/47/808523347.db2.gz RDJKQEDPRKVCDF-BETUJISGSA-N 2 2 286.441 0.837 20 0 CCADLP C[C@H](Cc1ccccn1)[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001256424877 808528246 /nfs/dbraw/zinc/52/82/46/808528246.db2.gz NHNXJNYMIFKCBI-CQSZACIVSA-N 2 2 274.412 0.944 20 0 CCADLP COc1cccc2c1CC[C@H]([N@H+](CC[NH3+])CCO)C2 ZINC001256633253 808544001 /nfs/dbraw/zinc/54/40/01/808544001.db2.gz QTQJPJOTIJZIOA-ZDUSSCGKSA-N 2 2 264.369 0.806 20 0 CCADLP COc1cccc2c1CC[C@H]([N@@H+](CC[NH3+])CCO)C2 ZINC001256633253 808544004 /nfs/dbraw/zinc/54/40/04/808544004.db2.gz QTQJPJOTIJZIOA-ZDUSSCGKSA-N 2 2 264.369 0.806 20 0 CCADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+]2CC[C@H](CF)C2)C1 ZINC001262052830 809174346 /nfs/dbraw/zinc/17/43/46/809174346.db2.gz IWKONHVKYDKBSN-NEPJUHHUSA-N 2 2 280.347 0.985 20 0 CCADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+]2CC[C@H](CF)C2)C1 ZINC001262052830 809174352 /nfs/dbraw/zinc/17/43/52/809174352.db2.gz IWKONHVKYDKBSN-NEPJUHHUSA-N 2 2 280.347 0.985 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2c[nH+]cn2C)C1 ZINC001262098085 809190032 /nfs/dbraw/zinc/19/00/32/809190032.db2.gz UQJQOXVBSDUZDZ-GHMZBOCLSA-N 2 2 265.361 0.689 20 0 CCADLP CC[NH2+]CCCNC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC001262583539 809356506 /nfs/dbraw/zinc/35/65/06/809356506.db2.gz AMAQHKMKJCNBOE-ZDUSSCGKSA-N 2 2 286.420 0.396 20 0 CCADLP C[C@H]1C[N@H+](CCNc2cc[nH+]c(N)n2)[C@@H](C)CO1 ZINC001262701077 809399822 /nfs/dbraw/zinc/39/98/22/809399822.db2.gz AMCPREXYMZWJFN-UWVGGRQHSA-N 2 2 251.334 0.580 20 0 CCADLP C[C@H]1C[N@@H+](CCNc2cc[nH+]c(N)n2)[C@@H](C)CO1 ZINC001262701077 809399823 /nfs/dbraw/zinc/39/98/23/809399823.db2.gz AMCPREXYMZWJFN-UWVGGRQHSA-N 2 2 251.334 0.580 20 0 CCADLP C[NH2+]CCCCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001263100925 809443049 /nfs/dbraw/zinc/44/30/49/809443049.db2.gz CHOUNVVEADYAAY-CQSZACIVSA-N 3 2 296.459 0.661 20 0 CCADLP C[NH2+]CCCCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001263100925 809443051 /nfs/dbraw/zinc/44/30/51/809443051.db2.gz CHOUNVVEADYAAY-CQSZACIVSA-N 3 2 296.459 0.661 20 0 CCADLP C[NH+]1CCN(C(=O)c2cc3c(s2)C[NH2+]CC3)CC1 ZINC001263103704 809444416 /nfs/dbraw/zinc/44/44/16/809444416.db2.gz IUMHNCXULLGSQG-UHFFFAOYSA-N 2 2 265.382 0.781 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC001263109970 809449839 /nfs/dbraw/zinc/44/98/39/809449839.db2.gz LDCNBMLPRLBCHH-CBAPKCEASA-N 2 2 260.288 0.687 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC001263109970 809449844 /nfs/dbraw/zinc/44/98/44/809449844.db2.gz LDCNBMLPRLBCHH-CBAPKCEASA-N 2 2 260.288 0.687 20 0 CCADLP c1nc(N[C@@H]2CCC[N@@H+](C3COC3)C2)nc2c1CC[NH2+]C2 ZINC001168366678 815295030 /nfs/dbraw/zinc/29/50/30/815295030.db2.gz DAXWALNCTWEBAA-GFCCVEGCSA-N 2 2 289.383 0.397 20 0 CCADLP c1nc(N[C@@H]2CCC[N@H+](C3COC3)C2)nc2c1CC[NH2+]C2 ZINC001168366678 815295035 /nfs/dbraw/zinc/29/50/35/815295035.db2.gz DAXWALNCTWEBAA-GFCCVEGCSA-N 2 2 289.383 0.397 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCCO)C1 ZINC001264488154 809660444 /nfs/dbraw/zinc/66/04/44/809660444.db2.gz DYMZZNWTTUYYJC-QWHCGFSZSA-N 2 2 294.399 0.518 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NCCC[N@H+](C)CCF)no1 ZINC001265005824 809691929 /nfs/dbraw/zinc/69/19/29/809691929.db2.gz LMBNYUKTGBHBKZ-UHFFFAOYSA-N 2 2 286.351 0.757 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NCCC[N@@H+](C)CCF)no1 ZINC001265005824 809691933 /nfs/dbraw/zinc/69/19/33/809691933.db2.gz LMBNYUKTGBHBKZ-UHFFFAOYSA-N 2 2 286.351 0.757 20 0 CCADLP CCCCOC[C@@H](O)C[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC000700550508 809759978 /nfs/dbraw/zinc/75/99/78/809759978.db2.gz XFWSHASKUSGDMF-HNNXBMFYSA-N 2 2 285.432 0.096 20 0 CCADLP COCC[NH2+][C@H](CNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001265378415 809768698 /nfs/dbraw/zinc/76/86/98/809768698.db2.gz LDKYGDPYUKZDJS-CYBMUJFWSA-N 2 2 280.372 0.391 20 0 CCADLP CCOCC[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001265827534 809867081 /nfs/dbraw/zinc/86/70/81/809867081.db2.gz QSGDWHUDTYHDBL-JHJVBQTASA-N 2 2 294.399 0.654 20 0 CCADLP C[C@@H](F)CC[NH2+][C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001265829980 809867563 /nfs/dbraw/zinc/86/75/63/809867563.db2.gz LUHSVFKQMXGFOK-ZJUUUORDSA-N 2 2 256.325 0.795 20 0 CCADLP CCNC(=O)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702620631 809932204 /nfs/dbraw/zinc/93/22/04/809932204.db2.gz ADMAQJVWOMDUQW-MRXNPFEDSA-N 2 2 291.395 0.349 20 0 CCADLP CCNC(=O)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702620631 809932207 /nfs/dbraw/zinc/93/22/07/809932207.db2.gz ADMAQJVWOMDUQW-MRXNPFEDSA-N 2 2 291.395 0.349 20 0 CCADLP [NH3+][C@H](CC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(F)F ZINC000724750851 811094168 /nfs/dbraw/zinc/09/41/68/811094168.db2.gz GVCYQKZPYBWRBY-KXUCPTDWSA-N 2 2 261.316 0.712 20 0 CCADLP [NH3+][C@H](CC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(F)F ZINC000724750851 811094179 /nfs/dbraw/zinc/09/41/79/811094179.db2.gz GVCYQKZPYBWRBY-KXUCPTDWSA-N 2 2 261.316 0.712 20 0 CCADLP Cc1cnc(C[NH2+]CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001267470641 811353577 /nfs/dbraw/zinc/35/35/77/811353577.db2.gz ZBMUHBSTEFUQKJ-LBPRGKRZSA-N 2 2 280.372 0.483 20 0 CCADLP Cc1cnc(C[NH2+]CCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001267470641 811353589 /nfs/dbraw/zinc/35/35/89/811353589.db2.gz ZBMUHBSTEFUQKJ-LBPRGKRZSA-N 2 2 280.372 0.483 20 0 CCADLP CC(C)[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)C[C@H](C)O ZINC001267511486 811388800 /nfs/dbraw/zinc/38/88/00/811388800.db2.gz MYBLFYWHCZOHCD-LBPRGKRZSA-N 2 2 282.388 0.550 20 0 CCADLP CC(C)[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)C[C@H](C)O ZINC001267511486 811388811 /nfs/dbraw/zinc/38/88/11/811388811.db2.gz MYBLFYWHCZOHCD-LBPRGKRZSA-N 2 2 282.388 0.550 20 0 CCADLP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001077209550 815462232 /nfs/dbraw/zinc/46/22/32/815462232.db2.gz NHGNNUQQKGEOQZ-VXGBXAGGSA-N 2 2 280.372 0.108 20 0 CCADLP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001077209550 815462235 /nfs/dbraw/zinc/46/22/35/815462235.db2.gz NHGNNUQQKGEOQZ-VXGBXAGGSA-N 2 2 280.372 0.108 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCCc2cc(F)cc(F)c2)C1 ZINC001220733812 811744671 /nfs/dbraw/zinc/74/46/71/811744671.db2.gz AAJVKHKWRLEYPD-NEPJUHHUSA-N 2 2 269.295 0.313 20 0 CCADLP Cc1ncsc1CCNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221327746 811765889 /nfs/dbraw/zinc/76/58/89/811765889.db2.gz DFFLBDRZSHWCEY-ZWNOBZJWSA-N 2 2 280.397 0.062 20 0 CCADLP CCN1CCC[C@@H]([NH2+]Cc2c[nH+]c(C)n2C)C1=O ZINC000722357140 812152788 /nfs/dbraw/zinc/15/27/88/812152788.db2.gz UUESPFVXKURKCM-GFCCVEGCSA-N 2 2 250.346 0.829 20 0 CCADLP O=C(NC[C@H]1CCC[N@@H+]1CCO)[C@@H]1CCc2[nH+]ccn2C1 ZINC001027980039 812190830 /nfs/dbraw/zinc/19/08/30/812190830.db2.gz KTBGJFWVDNGDMT-CHWSQXEVSA-N 2 2 292.383 0.018 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001268097285 812254441 /nfs/dbraw/zinc/25/44/41/812254441.db2.gz BVQREBTWHPFKDL-NEPJUHHUSA-N 2 2 268.361 0.355 20 0 CCADLP C[C@@H](C[NH2+]CCO)N(C)C(=O)CCCn1cc[nH+]c1 ZINC001268099164 812258261 /nfs/dbraw/zinc/25/82/61/812258261.db2.gz YWBRIGUQFZTZMC-LBPRGKRZSA-N 2 2 268.361 0.092 20 0 CCADLP COCCOCCOCC[N@@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000126018626 812317702 /nfs/dbraw/zinc/31/77/02/812317702.db2.gz PJWMWXKGZIKLAS-UONOGXRCSA-N 2 2 274.405 0.725 20 0 CCADLP COCCOCCOCC[N@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000126018626 812317709 /nfs/dbraw/zinc/31/77/09/812317709.db2.gz PJWMWXKGZIKLAS-UONOGXRCSA-N 2 2 274.405 0.725 20 0 CCADLP CCOCCC[NH+]1CC(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001268316899 812479528 /nfs/dbraw/zinc/47/95/28/812479528.db2.gz CVTYTZDHIFWDPA-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP CCOCCC[NH+]1CC(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001268316899 812479535 /nfs/dbraw/zinc/47/95/35/812479535.db2.gz CVTYTZDHIFWDPA-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+]1CCN(c2ncc(NC(=[NH2+])SCC[NH3+])cn2)CC1 ZINC001167915348 812610239 /nfs/dbraw/zinc/61/02/39/812610239.db2.gz SWGUNBQEYNQCCS-UHFFFAOYSA-N 3 2 295.416 0.267 20 0 CCADLP CCN(CC[NH2+]C[C@H]1CCOC1)C(=O)CCn1cc[nH+]c1 ZINC001268468896 812618491 /nfs/dbraw/zinc/61/84/91/812618491.db2.gz RNTCEOSMXFJOPX-CQSZACIVSA-N 2 2 294.399 0.748 20 0 CCADLP CC[C@@H](C(=O)N(CC)CC[NH2+]Cc1nonc1C)[NH+](C)C ZINC001268477619 812638252 /nfs/dbraw/zinc/63/82/52/812638252.db2.gz QFUVURJABBQBEB-ZDUSSCGKSA-N 2 2 297.403 0.656 20 0 CCADLP CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075643887 812732832 /nfs/dbraw/zinc/73/28/32/812732832.db2.gz OMCDTJKIVJTWLT-ZNMIVQPWSA-N 2 2 295.427 0.650 20 0 CCADLP CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075643887 812732841 /nfs/dbraw/zinc/73/28/41/812732841.db2.gz OMCDTJKIVJTWLT-ZNMIVQPWSA-N 2 2 295.427 0.650 20 0 CCADLP CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001075643887 812732852 /nfs/dbraw/zinc/73/28/52/812732852.db2.gz OMCDTJKIVJTWLT-ZNMIVQPWSA-N 2 2 295.427 0.650 20 0 CCADLP CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001075643887 812732857 /nfs/dbraw/zinc/73/28/57/812732857.db2.gz OMCDTJKIVJTWLT-ZNMIVQPWSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H](C[NH2+]CC[C@H]1CCOC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001268689191 813012459 /nfs/dbraw/zinc/01/24/59/813012459.db2.gz RLJHYPTWXISCCU-STQMWFEESA-N 2 2 294.399 0.863 20 0 CCADLP C[C@@H](C[NH2+]CC[C@H]1CCOC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001268689191 813012468 /nfs/dbraw/zinc/01/24/68/813012468.db2.gz RLJHYPTWXISCCU-STQMWFEESA-N 2 2 294.399 0.863 20 0 CCADLP COCC[NH2+]C[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001268691660 813012960 /nfs/dbraw/zinc/01/29/60/813012960.db2.gz HTAZTKIHPKBTRV-NSHDSACASA-N 2 2 282.388 0.667 20 0 CCADLP COCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001038407728 813532712 /nfs/dbraw/zinc/53/27/12/813532712.db2.gz GVAGCWZPCNHHRM-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP COCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001038407728 813532717 /nfs/dbraw/zinc/53/27/17/813532717.db2.gz GVAGCWZPCNHHRM-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP COCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001038407728 813532724 /nfs/dbraw/zinc/53/27/24/813532724.db2.gz GVAGCWZPCNHHRM-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP COCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001038407728 813532726 /nfs/dbraw/zinc/53/27/26/813532726.db2.gz GVAGCWZPCNHHRM-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP Cc1noc(C)c1C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126433162 813560162 /nfs/dbraw/zinc/56/01/62/813560162.db2.gz ZFCANDVKQIHYIN-UHFFFAOYSA-N 2 2 291.355 0.853 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]CCC1CCOCC1 ZINC001126436491 813582657 /nfs/dbraw/zinc/58/26/57/813582657.db2.gz CIKVQUFYBXSNGV-UHFFFAOYSA-N 2 2 294.399 0.865 20 0 CCADLP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001270179732 813664187 /nfs/dbraw/zinc/66/41/87/813664187.db2.gz NMRVYBKXHZOBEG-OKILXGFUSA-N 2 2 291.399 0.189 20 0 CCADLP C[NH+]1CC2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001270191793 813671390 /nfs/dbraw/zinc/67/13/90/813671390.db2.gz BRMASBYBZLXSLY-UHFFFAOYSA-N 2 2 262.357 0.827 20 0 CCADLP COCC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001075742277 813688006 /nfs/dbraw/zinc/68/80/06/813688006.db2.gz QNXHXLWTKXLPSG-QWHCGFSZSA-N 2 2 292.383 0.521 20 0 CCADLP COCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001075742277 813688011 /nfs/dbraw/zinc/68/80/11/813688011.db2.gz QNXHXLWTKXLPSG-QWHCGFSZSA-N 2 2 292.383 0.521 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCO)C1 ZINC001112536158 813997506 /nfs/dbraw/zinc/99/75/06/813997506.db2.gz UCEPAZNIWZUJTQ-WFASDCNBSA-N 2 2 292.383 0.163 20 0 CCADLP C[NH+]1CC2(CN(C(=O)[C@H]3Cc4ccccc4C[N@@H+]3C)C2)C1 ZINC001271198644 814330978 /nfs/dbraw/zinc/33/09/78/814330978.db2.gz RLXSIXZFHGZAAY-OAHLLOKOSA-N 2 2 285.391 0.817 20 0 CCADLP C[NH+]1CC2(CN(C(=O)[C@H]3Cc4ccccc4C[N@H+]3C)C2)C1 ZINC001271198644 814330983 /nfs/dbraw/zinc/33/09/83/814330983.db2.gz RLXSIXZFHGZAAY-OAHLLOKOSA-N 2 2 285.391 0.817 20 0 CCADLP C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1ccc(N)[nH+]c1)C2 ZINC001271814978 814589207 /nfs/dbraw/zinc/58/92/07/814589207.db2.gz FOLDHKKSVYCJRF-OLZOCXBDSA-N 2 2 274.368 0.759 20 0 CCADLP C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1ccc(N)[nH+]c1)C2 ZINC001271814978 814589211 /nfs/dbraw/zinc/58/92/11/814589211.db2.gz FOLDHKKSVYCJRF-OLZOCXBDSA-N 2 2 274.368 0.759 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCCC[C@H]([NH2+]CCO)C1 ZINC001088419256 814680869 /nfs/dbraw/zinc/68/08/69/814680869.db2.gz LNJQFYABYDASAT-ZDUSSCGKSA-N 2 2 294.399 0.614 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1nncs1 ZINC001127077297 815637923 /nfs/dbraw/zinc/63/79/23/815637923.db2.gz CHJJAPIGYYUYET-LLVKDONJSA-N 2 2 297.428 0.617 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1nncs1 ZINC001127077297 815637927 /nfs/dbraw/zinc/63/79/27/815637927.db2.gz CHJJAPIGYYUYET-LLVKDONJSA-N 2 2 297.428 0.617 20 0 CCADLP COC1(OC)CCOC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000698270773 815794305 /nfs/dbraw/zinc/79/43/05/815794305.db2.gz MSRWWMHXTBRBHR-NSHDSACASA-N 2 2 255.318 0.251 20 0 CCADLP C[C@@H]1[C@H](C(=O)NC2C[NH+](C[C@@H]3CCCCO3)C2)CC[N@@H+]1C ZINC001030336966 815980739 /nfs/dbraw/zinc/98/07/39/815980739.db2.gz XFOXHFOCUUJZBX-VHDGCEQUSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H]1[C@H](C(=O)NC2C[NH+](C[C@@H]3CCCCO3)C2)CC[N@H+]1C ZINC001030336966 815980743 /nfs/dbraw/zinc/98/07/43/815980743.db2.gz XFOXHFOCUUJZBX-VHDGCEQUSA-N 2 2 295.427 0.696 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001030336756 815982657 /nfs/dbraw/zinc/98/26/57/815982657.db2.gz RIAYBMBIQVILEX-NQBHXWOUSA-N 2 2 269.389 0.162 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001030336756 815982661 /nfs/dbraw/zinc/98/26/61/815982661.db2.gz RIAYBMBIQVILEX-NQBHXWOUSA-N 2 2 269.389 0.162 20 0 CCADLP CC[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001030441558 816041007 /nfs/dbraw/zinc/04/10/07/816041007.db2.gz YVNKQXVLNMJLJX-CQSZACIVSA-N 2 2 281.400 0.450 20 0 CCADLP CC[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001030441558 816041011 /nfs/dbraw/zinc/04/10/11/816041011.db2.gz YVNKQXVLNMJLJX-CQSZACIVSA-N 2 2 281.400 0.450 20 0 CCADLP O=C(NC1C[NH+](CCCO)C1)C12CCC[NH+](CCC1)C2 ZINC001030512112 816079166 /nfs/dbraw/zinc/07/91/66/816079166.db2.gz NCVWZZRAUMLVAQ-UHFFFAOYSA-N 2 2 281.400 0.045 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2C[NH+](CC3CCC3)C2)O1 ZINC001030515188 816079646 /nfs/dbraw/zinc/07/96/46/816079646.db2.gz NJGOPHKPCXEZAJ-BXUZGUMPSA-N 2 2 281.400 0.306 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2C[NH+](CC3CCC3)C2)O1 ZINC001030515188 816079654 /nfs/dbraw/zinc/07/96/54/816079654.db2.gz NJGOPHKPCXEZAJ-BXUZGUMPSA-N 2 2 281.400 0.306 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC001120476820 816084884 /nfs/dbraw/zinc/08/48/84/816084884.db2.gz XYKKCJLAXWXRQV-ZDUSSCGKSA-N 2 2 253.390 0.881 20 0 CCADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC001120476820 816084891 /nfs/dbraw/zinc/08/48/91/816084891.db2.gz XYKKCJLAXWXRQV-ZDUSSCGKSA-N 2 2 253.390 0.881 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CC[C@@H]2CCCO2)C1 ZINC001030532468 816090829 /nfs/dbraw/zinc/09/08/29/816090829.db2.gz QBPZTIUTHFGZJS-GJZGRUSLSA-N 2 2 295.427 0.840 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001030595044 816132892 /nfs/dbraw/zinc/13/28/92/816132892.db2.gz YHRVXEONKGOGMA-UKRRQHHQSA-N 2 2 297.443 0.942 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001030595044 816132894 /nfs/dbraw/zinc/13/28/94/816132894.db2.gz YHRVXEONKGOGMA-UKRRQHHQSA-N 2 2 297.443 0.942 20 0 CCADLP C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cc[nH+]c(N)c3)[C@@H]2C1 ZINC001272304389 816288605 /nfs/dbraw/zinc/28/86/05/816288605.db2.gz QESSSLLTCVUQDR-NWDGAFQWSA-N 2 2 260.341 0.369 20 0 CCADLP C[N@H+]1C[C@@H]2CCN(C(=O)Cc3cc[nH+]c(N)c3)[C@@H]2C1 ZINC001272304389 816288611 /nfs/dbraw/zinc/28/86/11/816288611.db2.gz QESSSLLTCVUQDR-NWDGAFQWSA-N 2 2 260.341 0.369 20 0 CCADLP C[NH+]1CC2(C1)CCCN(C(=O)Cc1cc[nH+]c(N)c1)C2 ZINC001272304524 816289840 /nfs/dbraw/zinc/28/98/40/816289840.db2.gz SSLSPTLYUVWADC-UHFFFAOYSA-N 2 2 274.368 0.761 20 0 CCADLP CCC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001030832872 816326984 /nfs/dbraw/zinc/32/69/84/816326984.db2.gz LQLDFTUUCRXGHA-ZDUSSCGKSA-N 2 2 269.389 0.306 20 0 CCADLP CCC[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001030832872 816326994 /nfs/dbraw/zinc/32/69/94/816326994.db2.gz LQLDFTUUCRXGHA-ZDUSSCGKSA-N 2 2 269.389 0.306 20 0 CCADLP CC[N@@H+]1CCC[C@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001272437360 816427880 /nfs/dbraw/zinc/42/78/80/816427880.db2.gz JFVOGYBZDPSVGK-CQSZACIVSA-N 2 2 262.357 0.970 20 0 CCADLP CC[N@H+]1CCC[C@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001272437360 816427883 /nfs/dbraw/zinc/42/78/83/816427883.db2.gz JFVOGYBZDPSVGK-CQSZACIVSA-N 2 2 262.357 0.970 20 0 CCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C[C@@H]([NH3+])C(F)F ZINC001121923655 816481739 /nfs/dbraw/zinc/48/17/39/816481739.db2.gz PXWINSZWKUEJEJ-VHSXEESVSA-N 2 2 263.332 0.960 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001030958334 816503055 /nfs/dbraw/zinc/50/30/55/816503055.db2.gz IWDKODPUTAQVJN-NEPJUHHUSA-N 2 2 269.389 0.164 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001030958334 816503058 /nfs/dbraw/zinc/50/30/58/816503058.db2.gz IWDKODPUTAQVJN-NEPJUHHUSA-N 2 2 269.389 0.164 20 0 CCADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001031050433 816606288 /nfs/dbraw/zinc/60/62/88/816606288.db2.gz MEQNPQJOMYUCCI-OCCSQVGLSA-N 2 2 283.416 0.431 20 0 CCADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001031050433 816606293 /nfs/dbraw/zinc/60/62/93/816606293.db2.gz MEQNPQJOMYUCCI-OCCSQVGLSA-N 2 2 283.416 0.431 20 0 CCADLP [NH3+][C@H]1CCC[N@H+](Cc2cn(-c3cnccn3)cn2)CC1 ZINC001205124029 816732215 /nfs/dbraw/zinc/73/22/15/816732215.db2.gz JACQGUHVYJTCIN-LBPRGKRZSA-N 2 2 272.356 0.976 20 0 CCADLP [NH3+][C@H]1CCC[N@@H+](Cc2cn(-c3cnccn3)cn2)CC1 ZINC001205124029 816732222 /nfs/dbraw/zinc/73/22/22/816732222.db2.gz JACQGUHVYJTCIN-LBPRGKRZSA-N 2 2 272.356 0.976 20 0 CCADLP CC(C)CC[NH+]1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001031258714 816909719 /nfs/dbraw/zinc/90/97/19/816909719.db2.gz QZTNURUQIGWXBI-UHFFFAOYSA-N 2 2 264.373 0.809 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC1C[NH+](C[C@@H]2CCCOC2)C1 ZINC001031259796 816909894 /nfs/dbraw/zinc/90/98/94/816909894.db2.gz CGXAZVKDHXRRRM-LBPRGKRZSA-N 2 2 292.383 0.190 20 0 CCADLP C[N@@H+]1CC[C@@H](CC(=O)NC2C[NH+](C[C@H]3CCCCO3)C2)C1 ZINC001031260551 816910013 /nfs/dbraw/zinc/91/00/13/816910013.db2.gz QWQYEVBYLXVNPA-DZGCQCFKSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CC[C@@H](CC(=O)NC2C[NH+](C[C@H]3CCCCO3)C2)C1 ZINC001031260551 816910017 /nfs/dbraw/zinc/91/00/17/816910017.db2.gz QWQYEVBYLXVNPA-DZGCQCFKSA-N 2 2 295.427 0.698 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001031267777 816915605 /nfs/dbraw/zinc/91/56/05/816915605.db2.gz VFIMJBGDWHURGY-NSHDSACASA-N 2 2 292.383 0.597 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC1C[NH+](C[C@H]2CCCOC2)C1 ZINC001031391413 817026867 /nfs/dbraw/zinc/02/68/67/817026867.db2.gz FQTKTSHUHQXNTI-CYBMUJFWSA-N 2 2 292.383 0.419 20 0 CCADLP Cn1nccc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001031580926 817163251 /nfs/dbraw/zinc/16/32/51/817163251.db2.gz ZGCOLQHFTJSIHF-AWEZNQCLSA-N 2 2 291.399 0.062 20 0 CCADLP Cn1nccc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001031580926 817163257 /nfs/dbraw/zinc/16/32/57/817163257.db2.gz ZGCOLQHFTJSIHF-AWEZNQCLSA-N 2 2 291.399 0.062 20 0 CCADLP O=C(NCC1C[NH+](CCCF)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001031776584 817358146 /nfs/dbraw/zinc/35/81/46/817358146.db2.gz XDCCJNVQLKZEJK-ZDUSSCGKSA-N 2 2 294.374 0.853 20 0 CCADLP C[C@H](O)C[NH+]1CC(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001031844029 817411748 /nfs/dbraw/zinc/41/17/48/817411748.db2.gz UQDGHHPAJIYGRA-NSHDSACASA-N 2 2 288.351 0.377 20 0 CCADLP Cc1ccnc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001127685043 817448293 /nfs/dbraw/zinc/44/82/93/817448293.db2.gz AGXBDFDNXSSWLP-CHWSQXEVSA-N 2 2 291.399 0.331 20 0 CCADLP Cc1ccnc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001127685043 817448295 /nfs/dbraw/zinc/44/82/95/817448295.db2.gz AGXBDFDNXSSWLP-CHWSQXEVSA-N 2 2 291.399 0.331 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)o1 ZINC001127685287 817448759 /nfs/dbraw/zinc/44/87/59/817448759.db2.gz LSNOVCVONWSBNC-VXGBXAGGSA-N 2 2 280.372 0.529 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)o1 ZINC001127685287 817448762 /nfs/dbraw/zinc/44/87/62/817448762.db2.gz LSNOVCVONWSBNC-VXGBXAGGSA-N 2 2 280.372 0.529 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2nncs2)CC[N@@H+]1C ZINC001127701092 817469026 /nfs/dbraw/zinc/46/90/26/817469026.db2.gz IBBCKFCSVBVYIX-WDEREUQCSA-N 2 2 297.428 0.474 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2nncs2)CC[N@H+]1C ZINC001127701092 817469029 /nfs/dbraw/zinc/46/90/29/817469029.db2.gz IBBCKFCSVBVYIX-WDEREUQCSA-N 2 2 297.428 0.474 20 0 CCADLP CC(C)=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032971869 818396332 /nfs/dbraw/zinc/39/63/32/818396332.db2.gz AECUKGKFYIZWHX-LSDHHAIUSA-N 2 2 295.427 0.816 20 0 CCADLP CC(C)=CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001032971869 818396336 /nfs/dbraw/zinc/39/63/36/818396336.db2.gz AECUKGKFYIZWHX-LSDHHAIUSA-N 2 2 295.427 0.816 20 0 CCADLP CC(C)=CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001032971869 818396343 /nfs/dbraw/zinc/39/63/43/818396343.db2.gz AECUKGKFYIZWHX-LSDHHAIUSA-N 2 2 295.427 0.816 20 0 CCADLP COc1cnc(NC(=[NH2+])N2CC[NH+](C)CC2)cn1 ZINC001168736333 818545021 /nfs/dbraw/zinc/54/50/21/818545021.db2.gz FUGSEAKZUKTJAF-UHFFFAOYSA-N 2 2 250.306 0.079 20 0 CCADLP COc1cnnc(NC(=[NH2+])N2CC[NH+](C)CC2)c1 ZINC001168736684 818550152 /nfs/dbraw/zinc/55/01/52/818550152.db2.gz PFLBKKQEJQLVCQ-UHFFFAOYSA-N 2 2 250.306 0.079 20 0 CCADLP Cc1nc(Cl)nnc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168737059 818556977 /nfs/dbraw/zinc/55/69/77/818556977.db2.gz UNUGRWJSDUTSLA-UHFFFAOYSA-N 2 2 269.740 0.427 20 0 CCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CC[N@H+](CCO)C1 ZINC001033163377 818590368 /nfs/dbraw/zinc/59/03/68/818590368.db2.gz KBBZUBHRFPGRGY-QJPTWQEYSA-N 2 2 278.356 0.038 20 0 CCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CC[N@@H+](CCO)C1 ZINC001033163377 818590378 /nfs/dbraw/zinc/59/03/78/818590378.db2.gz KBBZUBHRFPGRGY-QJPTWQEYSA-N 2 2 278.356 0.038 20 0 CCADLP CC[N@@H+]1CCn2ncc(CNC(=O)C[NH+](C)C(C)C)c2C1 ZINC001128594218 818722597 /nfs/dbraw/zinc/72/25/97/818722597.db2.gz VAYYMDPEVMLJCL-UHFFFAOYSA-N 2 2 293.415 0.675 20 0 CCADLP CC[N@H+]1CCn2ncc(CNC(=O)C[NH+](C)C(C)C)c2C1 ZINC001128594218 818722603 /nfs/dbraw/zinc/72/26/03/818722603.db2.gz VAYYMDPEVMLJCL-UHFFFAOYSA-N 2 2 293.415 0.675 20 0 CCADLP CC[NH+]1CCn2ncc(CNC(=O)C[N@H+](C)C(C)C)c2C1 ZINC001128594218 818722609 /nfs/dbraw/zinc/72/26/09/818722609.db2.gz VAYYMDPEVMLJCL-UHFFFAOYSA-N 2 2 293.415 0.675 20 0 CCADLP CC[NH+]1CCn2ncc(CNC(=O)C[N@@H+](C)C(C)C)c2C1 ZINC001128594218 818722613 /nfs/dbraw/zinc/72/26/13/818722613.db2.gz VAYYMDPEVMLJCL-UHFFFAOYSA-N 2 2 293.415 0.675 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H]2CC[NH+](CCF)C2)C1 ZINC001033421066 818770876 /nfs/dbraw/zinc/77/08/76/818770876.db2.gz UVBLJIAUZOUPKQ-OLZOCXBDSA-N 2 2 271.380 0.830 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CC[NH+](CCF)C2)C1 ZINC001033421066 818770880 /nfs/dbraw/zinc/77/08/80/818770880.db2.gz UVBLJIAUZOUPKQ-OLZOCXBDSA-N 2 2 271.380 0.830 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](CCF)C2)C1 ZINC001033421066 818770885 /nfs/dbraw/zinc/77/08/85/818770885.db2.gz UVBLJIAUZOUPKQ-OLZOCXBDSA-N 2 2 271.380 0.830 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](CCF)C2)C1 ZINC001033421066 818770886 /nfs/dbraw/zinc/77/08/86/818770886.db2.gz UVBLJIAUZOUPKQ-OLZOCXBDSA-N 2 2 271.380 0.830 20 0 CCADLP COCC[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033452308 818783306 /nfs/dbraw/zinc/78/33/06/818783306.db2.gz JFGPHEXXBSGDFH-LBPRGKRZSA-N 2 2 266.345 0.131 20 0 CCADLP COCC[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033452308 818783313 /nfs/dbraw/zinc/78/33/13/818783313.db2.gz JFGPHEXXBSGDFH-LBPRGKRZSA-N 2 2 266.345 0.131 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033703530 818891652 /nfs/dbraw/zinc/89/16/52/818891652.db2.gz GHIRJHFOTIFNOC-CHWSQXEVSA-N 2 2 280.372 0.451 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033703530 818891656 /nfs/dbraw/zinc/89/16/56/818891656.db2.gz GHIRJHFOTIFNOC-CHWSQXEVSA-N 2 2 280.372 0.451 20 0 CCADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC001033704410 818891676 /nfs/dbraw/zinc/89/16/76/818891676.db2.gz UWNCZBDBFAQFQE-KGLIPLIRSA-N 2 2 292.383 0.452 20 0 CCADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001033704410 818891679 /nfs/dbraw/zinc/89/16/79/818891679.db2.gz UWNCZBDBFAQFQE-KGLIPLIRSA-N 2 2 292.383 0.452 20 0 CCADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001033790943 818940901 /nfs/dbraw/zinc/94/09/01/818940901.db2.gz ZZYYLMBAAJCMSG-KBPBESRZSA-N 2 2 283.416 0.648 20 0 CCADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](C(C)C)C1 ZINC001033790943 818940904 /nfs/dbraw/zinc/94/09/04/818940904.db2.gz ZZYYLMBAAJCMSG-KBPBESRZSA-N 2 2 283.416 0.648 20 0 CCADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](C(C)C)C1 ZINC001033790943 818940907 /nfs/dbraw/zinc/94/09/07/818940907.db2.gz ZZYYLMBAAJCMSG-KBPBESRZSA-N 2 2 283.416 0.648 20 0 CCADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](C(C)C)C1 ZINC001033790943 818940909 /nfs/dbraw/zinc/94/09/09/818940909.db2.gz ZZYYLMBAAJCMSG-KBPBESRZSA-N 2 2 283.416 0.648 20 0 CCADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001033790946 818940922 /nfs/dbraw/zinc/94/09/22/818940922.db2.gz ZZYYLMBAAJCMSG-UONOGXRCSA-N 2 2 283.416 0.648 20 0 CCADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](C(C)C)C1 ZINC001033790946 818940924 /nfs/dbraw/zinc/94/09/24/818940924.db2.gz ZZYYLMBAAJCMSG-UONOGXRCSA-N 2 2 283.416 0.648 20 0 CCADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](C(C)C)C1 ZINC001033790946 818940928 /nfs/dbraw/zinc/94/09/28/818940928.db2.gz ZZYYLMBAAJCMSG-UONOGXRCSA-N 2 2 283.416 0.648 20 0 CCADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](C(C)C)C1 ZINC001033790946 818940930 /nfs/dbraw/zinc/94/09/30/818940930.db2.gz ZZYYLMBAAJCMSG-UONOGXRCSA-N 2 2 283.416 0.648 20 0 CCADLP COc1c(N)[nH+]cnc1N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000702453395 819133420 /nfs/dbraw/zinc/13/34/20/819133420.db2.gz AUPCIRQXRBOKGD-TVQRCGJNSA-N 2 2 263.345 0.455 20 0 CCADLP COc1c(N)[nH+]cnc1N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000702453395 819133423 /nfs/dbraw/zinc/13/34/23/819133423.db2.gz AUPCIRQXRBOKGD-TVQRCGJNSA-N 2 2 263.345 0.455 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cccc3c2OCC3)C1 ZINC000702628416 819154339 /nfs/dbraw/zinc/15/43/39/819154339.db2.gz LBYZEMQTQXPFMO-OAHLLOKOSA-N 2 2 262.353 0.778 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cccc3c2OCC3)C1 ZINC000702628416 819154341 /nfs/dbraw/zinc/15/43/41/819154341.db2.gz LBYZEMQTQXPFMO-OAHLLOKOSA-N 2 2 262.353 0.778 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@H+](CCO)C1 ZINC001034503999 819223797 /nfs/dbraw/zinc/22/37/97/819223797.db2.gz WGSISWBIGPUCOE-GFCCVEGCSA-N 2 2 280.372 0.224 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@@H+](CCO)C1 ZINC001034503999 819223802 /nfs/dbraw/zinc/22/38/02/819223802.db2.gz WGSISWBIGPUCOE-GFCCVEGCSA-N 2 2 280.372 0.224 20 0 CCADLP CO[C@H](C[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1)C1CCC1 ZINC001128967726 819237335 /nfs/dbraw/zinc/23/73/35/819237335.db2.gz YYRZBJFCOICITF-CQSZACIVSA-N 2 2 294.399 0.863 20 0 CCADLP CO[C@H](C[NH2+]CCNC(=O)CCc1c[nH+]c[nH]1)C1CCC1 ZINC001128967726 819237340 /nfs/dbraw/zinc/23/73/40/819237340.db2.gz YYRZBJFCOICITF-CQSZACIVSA-N 2 2 294.399 0.863 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+]CCOCC1CCC1 ZINC001128967407 819237701 /nfs/dbraw/zinc/23/77/01/819237701.db2.gz PHOAPETVVRTFJV-UHFFFAOYSA-N 2 2 294.399 0.865 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC[NH2+]CCOCC1CCC1 ZINC001128967407 819237707 /nfs/dbraw/zinc/23/77/07/819237707.db2.gz PHOAPETVVRTFJV-UHFFFAOYSA-N 2 2 294.399 0.865 20 0 CCADLP CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001035415694 819517939 /nfs/dbraw/zinc/51/79/39/819517939.db2.gz DOOWMWSXPBAZCG-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001035415694 819517945 /nfs/dbraw/zinc/51/79/45/819517945.db2.gz DOOWMWSXPBAZCG-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001035415694 819517950 /nfs/dbraw/zinc/51/79/50/819517950.db2.gz DOOWMWSXPBAZCG-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001035415694 819517957 /nfs/dbraw/zinc/51/79/57/819517957.db2.gz DOOWMWSXPBAZCG-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP COC(OC)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000709575806 819806153 /nfs/dbraw/zinc/80/61/53/819806153.db2.gz BHCQRVRCFXAFGV-UHFFFAOYSA-N 2 2 287.404 0.090 20 0 CCADLP COC(OC)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000709575806 819806161 /nfs/dbraw/zinc/80/61/61/819806161.db2.gz BHCQRVRCFXAFGV-UHFFFAOYSA-N 2 2 287.404 0.090 20 0 CCADLP Cc1nonc1C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710622342 819858350 /nfs/dbraw/zinc/85/83/50/819858350.db2.gz LKOYTKHKPCWAPX-UHFFFAOYSA-N 2 2 254.334 0.267 20 0 CCADLP C[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001079965755 820494217 /nfs/dbraw/zinc/49/42/17/820494217.db2.gz UVOUMWLPCMEGLZ-JHJVBQTASA-N 2 2 271.380 0.877 20 0 CCADLP C[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)[C@H]1CCCC[NH+]1C ZINC001079965755 820494219 /nfs/dbraw/zinc/49/42/19/820494219.db2.gz UVOUMWLPCMEGLZ-JHJVBQTASA-N 2 2 271.380 0.877 20 0 CCADLP C[C@@H]1C[NH+](CCF)C[C@H]1NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001079965755 820494223 /nfs/dbraw/zinc/49/42/23/820494223.db2.gz UVOUMWLPCMEGLZ-JHJVBQTASA-N 2 2 271.380 0.877 20 0 CCADLP C[C@@H]1C[NH+](CCF)C[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001079965755 820494228 /nfs/dbraw/zinc/49/42/28/820494228.db2.gz UVOUMWLPCMEGLZ-JHJVBQTASA-N 2 2 271.380 0.877 20 0 CCADLP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001080421102 820562593 /nfs/dbraw/zinc/56/25/93/820562593.db2.gz STWGEMZZDSVLHS-NQBHXWOUSA-N 2 2 292.383 0.258 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001080421102 820562600 /nfs/dbraw/zinc/56/26/00/820562600.db2.gz STWGEMZZDSVLHS-NQBHXWOUSA-N 2 2 292.383 0.258 20 0 CCADLP CCC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](OC)C1 ZINC001082327444 820938684 /nfs/dbraw/zinc/93/86/84/820938684.db2.gz UKEPGLVUOIHNKT-CHWSQXEVSA-N 2 2 280.372 0.188 20 0 CCADLP CCC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](OC)C1 ZINC001082327444 820938689 /nfs/dbraw/zinc/93/86/89/820938689.db2.gz UKEPGLVUOIHNKT-CHWSQXEVSA-N 2 2 280.372 0.188 20 0 CCADLP CO[C@@H]1C[N@H+](C(C)C)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082395339 820955243 /nfs/dbraw/zinc/95/52/43/820955243.db2.gz UAQXHSRJXHUAGD-VXGBXAGGSA-N 2 2 266.345 0.107 20 0 CCADLP CC[C@H](C)C[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083953884 821163921 /nfs/dbraw/zinc/16/39/21/821163921.db2.gz AWFYYEQVEGNCMH-YUTCNCBUSA-N 2 2 294.399 0.170 20 0 CCADLP CC[C@H](C)C[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083953884 821163925 /nfs/dbraw/zinc/16/39/25/821163925.db2.gz AWFYYEQVEGNCMH-YUTCNCBUSA-N 2 2 294.399 0.170 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001084311634 821267617 /nfs/dbraw/zinc/26/76/17/821267617.db2.gz SHERRDHEWBJMND-YNEHKIRRSA-N 2 2 292.383 0.256 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001084311634 821267619 /nfs/dbraw/zinc/26/76/19/821267619.db2.gz SHERRDHEWBJMND-YNEHKIRRSA-N 2 2 292.383 0.256 20 0 CCADLP CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001084540014 821309289 /nfs/dbraw/zinc/30/92/89/821309289.db2.gz PTRTYVYUPUGQSP-CHWSQXEVSA-N 2 2 276.384 0.905 20 0 CCADLP CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001084540014 821309293 /nfs/dbraw/zinc/30/92/93/821309293.db2.gz PTRTYVYUPUGQSP-CHWSQXEVSA-N 2 2 276.384 0.905 20 0 CCADLP CC(C)C[N@@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099811253 821336660 /nfs/dbraw/zinc/33/66/60/821336660.db2.gz XKBYJYPNYDXQPN-STQMWFEESA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)C[N@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099811253 821336669 /nfs/dbraw/zinc/33/66/69/821336669.db2.gz XKBYJYPNYDXQPN-STQMWFEESA-N 2 2 294.399 0.550 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001085345846 821665187 /nfs/dbraw/zinc/66/51/87/821665187.db2.gz TVYAZHGMIQPXMK-RAIGVLPGSA-N 2 2 280.372 0.350 20 0 CCADLP CCCCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001100018512 822062743 /nfs/dbraw/zinc/06/27/43/822062743.db2.gz SAYSXVAUANCFFU-ZIAGYGMSSA-N 2 2 294.399 0.694 20 0 CCADLP CCCCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001100018512 822062752 /nfs/dbraw/zinc/06/27/52/822062752.db2.gz SAYSXVAUANCFFU-ZIAGYGMSSA-N 2 2 294.399 0.694 20 0 CCADLP CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001086129551 822121408 /nfs/dbraw/zinc/12/14/08/822121408.db2.gz ZZHRXLCMVJNBRX-UPJWGTAASA-N 2 2 276.384 0.950 20 0 CCADLP CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001086126253 822121485 /nfs/dbraw/zinc/12/14/85/822121485.db2.gz WIPDVSDLJVPXTK-RWMBFGLXSA-N 2 2 276.384 0.950 20 0 CCADLP CC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001108302254 822347115 /nfs/dbraw/zinc/34/71/15/822347115.db2.gz HVJTXSZGNAQBIC-MRXNPFEDSA-N 2 2 297.443 0.945 20 0 CCADLP CC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001108302254 822347125 /nfs/dbraw/zinc/34/71/25/822347125.db2.gz HVJTXSZGNAQBIC-MRXNPFEDSA-N 2 2 297.443 0.945 20 0 CCADLP COCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH]cc[nH+]1 ZINC001114206403 837471954 /nfs/dbraw/zinc/47/19/54/837471954.db2.gz KBSDDVIIOOIVAP-JYAVWHMHSA-N 2 2 292.383 0.425 20 0 CCADLP COCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH]cc[nH+]1 ZINC001114206403 837471958 /nfs/dbraw/zinc/47/19/58/837471958.db2.gz KBSDDVIIOOIVAP-JYAVWHMHSA-N 2 2 292.383 0.425 20 0 CCADLP CC[C@H](C(=O)NCC[NH2+]Cc1ncc(C)cn1)[NH+](C)C ZINC001130203852 837725863 /nfs/dbraw/zinc/72/58/63/837725863.db2.gz ZOBUBFJEAABYDW-GFCCVEGCSA-N 2 2 279.388 0.331 20 0 CCADLP O=C(NCC[NH2+]CCC1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130403763 837787168 /nfs/dbraw/zinc/78/71/68/837787168.db2.gz CIVHLCMHCQTFPJ-CYBMUJFWSA-N 2 2 276.384 0.951 20 0 CCADLP O=C(NCC[NH2+]CCCF)[C@H]1CCc2[nH+]ccn2C1 ZINC001130477509 837801859 /nfs/dbraw/zinc/80/18/59/837801859.db2.gz FGWWKOVAYUZTLK-NSHDSACASA-N 2 2 268.336 0.511 20 0 CCADLP O=C(NCC[NH2+]CC1CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130477522 837802430 /nfs/dbraw/zinc/80/24/30/837802430.db2.gz FVUCYTMBOHBOMM-GFCCVEGCSA-N 2 2 262.357 0.561 20 0 CCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC[NH2+]CC1CC1)C2 ZINC001130491335 837805975 /nfs/dbraw/zinc/80/59/75/837805975.db2.gz QCDRNPKVTONVMM-LBPRGKRZSA-N 2 2 276.384 0.939 20 0 CCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC[NH2+]CC1CC1)CC2 ZINC001130491335 837805995 /nfs/dbraw/zinc/80/59/95/837805995.db2.gz QCDRNPKVTONVMM-LBPRGKRZSA-N 2 2 276.384 0.939 20 0 CCADLP O=C(NCC[NH2+]Cc1cccnc1)[C@H]1CCc2c[nH+]cn2C1 ZINC001130484635 837809353 /nfs/dbraw/zinc/80/93/53/837809353.db2.gz RWAOKLVUPPJGTA-AWEZNQCLSA-N 2 2 299.378 0.747 20 0 CCADLP COC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130488363 837812410 /nfs/dbraw/zinc/81/24/10/837812410.db2.gz PUFJDSMXEWDAJE-VXGBXAGGSA-N 2 2 280.372 0.186 20 0 CCADLP CCN(C(=O)C12CCC[NH+]1CCC2)C1C[NH+](C)C1 ZINC001183556765 844035512 /nfs/dbraw/zinc/03/55/12/844035512.db2.gz GYURDKMGPJVLHW-UHFFFAOYSA-N 2 2 251.374 0.777 20 0 CCADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001183730244 844081113 /nfs/dbraw/zinc/08/11/13/844081113.db2.gz FQGYZTDVTYGJNL-CHWSQXEVSA-N 2 2 292.383 0.018 20 0 CCADLP N=C(NC(=O)CCc1ccc(N)[nH+]c1)SCC[NH3+] ZINC001183935992 844114369 /nfs/dbraw/zinc/11/43/69/844114369.db2.gz ODZQINFPDNSCRX-UHFFFAOYSA-N 2 2 267.358 0.339 20 0 CCADLP Cc1nc(NC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001108387336 835997655 /nfs/dbraw/zinc/99/76/55/835997655.db2.gz DUXUFZQTRRODLF-JQWIXIFHSA-N 2 2 277.372 0.653 20 0 CCADLP Cc1nc(NC[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001108387336 835997664 /nfs/dbraw/zinc/99/76/64/835997664.db2.gz DUXUFZQTRRODLF-JQWIXIFHSA-N 2 2 277.372 0.653 20 0 CCADLP CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001108438038 836105918 /nfs/dbraw/zinc/10/59/18/836105918.db2.gz UCCNWAXDKYDJFG-HNNXBMFYSA-N 2 2 294.399 0.890 20 0 CCADLP CC[N@H+]1CCO[C@@](C)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001108438038 836105921 /nfs/dbraw/zinc/10/59/21/836105921.db2.gz UCCNWAXDKYDJFG-HNNXBMFYSA-N 2 2 294.399 0.890 20 0 CCADLP Cc1nc(Cl)c(C)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169067334 836122202 /nfs/dbraw/zinc/12/22/02/836122202.db2.gz PYZCHDDVDSCAME-SECBINFHSA-N 2 2 281.747 0.795 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nc(Cl)cc2nc[nH]c21 ZINC001169067701 836123952 /nfs/dbraw/zinc/12/39/52/836123952.db2.gz WHWCGIABVCQSSH-SSDOTTSWSA-N 2 2 292.730 0.659 20 0 CCADLP C[NH+](C)Cc1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1 ZINC001169070753 836124030 /nfs/dbraw/zinc/12/40/30/836124030.db2.gz ABZDZWIXEQYWSB-GFCCVEGCSA-N 3 2 275.356 0.191 20 0 CCADLP COC(=O)c1ccc(F)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169070795 836124589 /nfs/dbraw/zinc/12/45/89/836124589.db2.gz BRUDSEHPRBHJPQ-MRVPVSSYSA-N 2 2 294.286 0.055 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc(OCC2CC2)ccn1 ZINC001169071968 836125589 /nfs/dbraw/zinc/12/55/89/836125589.db2.gz JEOZEZATBXMFIS-GFCCVEGCSA-N 2 2 288.351 0.918 20 0 CCADLP NC(=S)c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cc1 ZINC001169074246 836127401 /nfs/dbraw/zinc/12/74/01/836127401.db2.gz HNIJNMKXLNSIOE-SNVBAGLBSA-N 2 2 276.365 0.369 20 0 CCADLP COc1nc2[nH]ccc2cc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169073734 836127513 /nfs/dbraw/zinc/12/75/13/836127513.db2.gz BCPRPQDUBVNFJX-SNVBAGLBSA-N 2 2 287.323 0.571 20 0 CCADLP COCCOc1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cc1 ZINC001169075328 836128319 /nfs/dbraw/zinc/12/83/19/836128319.db2.gz XZNRSYOCMCEOBU-GFCCVEGCSA-N 2 2 291.351 0.760 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=[NH2+])N1CC[NH+](C)CC1)C2 ZINC001169097914 836130883 /nfs/dbraw/zinc/13/08/83/836130883.db2.gz FBBZLIBHNMZWEC-CLLJXQQHSA-N 3 2 265.405 0.383 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=[NH2+])N1CC[NH+](C)CC1)C2 ZINC001169097914 836130889 /nfs/dbraw/zinc/13/08/89/836130889.db2.gz FBBZLIBHNMZWEC-CLLJXQQHSA-N 3 2 265.405 0.383 20 0 CCADLP COC(=O)CN1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169141897 836151609 /nfs/dbraw/zinc/15/16/09/836151609.db2.gz SRWJNGVAUVBMBE-BTTYYORXSA-N 2 2 281.400 0.402 20 0 CCADLP COC(=O)CN1CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169141897 836151615 /nfs/dbraw/zinc/15/16/15/836151615.db2.gz SRWJNGVAUVBMBE-BTTYYORXSA-N 2 2 281.400 0.402 20 0 CCADLP CC[NH+]1CCC(NC(=[NH2+])N2CC[NH+](C)CC2)CC1 ZINC001169231333 836167224 /nfs/dbraw/zinc/16/72/24/836167224.db2.gz YQZWODRVNZGDCU-UHFFFAOYSA-N 3 2 253.394 0.242 20 0 CCADLP Cc1nn(C)cc1C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169205221 836167902 /nfs/dbraw/zinc/16/79/02/836167902.db2.gz VKIYDQOHKPQKKY-UHFFFAOYSA-N 2 2 290.371 0.290 20 0 CCADLP [NH3+]Cc1cnnn1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001169310496 836210509 /nfs/dbraw/zinc/21/05/09/836210509.db2.gz YOPLBOPZOZUAMX-UHFFFAOYSA-N 2 2 254.297 0.971 20 0 CCADLP CCN(CC)C(=O)C[C@H](C)[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC001169436753 836287675 /nfs/dbraw/zinc/28/76/75/836287675.db2.gz FNDYZFFQYVHRAI-NWDGAFQWSA-N 2 2 257.378 0.293 20 0 CCADLP CCN(CC)C(=O)C[C@H](C)[N@H+]1CCO[C@H](C[NH3+])C1 ZINC001169436753 836287685 /nfs/dbraw/zinc/28/76/85/836287685.db2.gz FNDYZFFQYVHRAI-NWDGAFQWSA-N 2 2 257.378 0.293 20 0 CCADLP Cn1cc[nH+]c1CCNC(=O)CCCC[NH+](C)C ZINC001184061352 844150373 /nfs/dbraw/zinc/15/03/73/844150373.db2.gz AILCSOIQAYUCSY-UHFFFAOYSA-N 2 2 252.362 0.811 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNc1cc[nH+]c(N2CCOCC2)c1 ZINC001169655016 836410110 /nfs/dbraw/zinc/41/01/10/836410110.db2.gz YPMZGYVHDNOZAY-AWEZNQCLSA-N 2 2 292.383 0.661 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNc1cc[nH+]c(N2CCOCC2)c1 ZINC001169655016 836410114 /nfs/dbraw/zinc/41/01/14/836410114.db2.gz YPMZGYVHDNOZAY-AWEZNQCLSA-N 2 2 292.383 0.661 20 0 CCADLP C[NH+](C)C1(C(=O)NCC[NH2+]Cc2nncs2)CCC1 ZINC001129356700 836511200 /nfs/dbraw/zinc/51/12/00/836511200.db2.gz GHNLQBFYVHCOJF-UHFFFAOYSA-N 2 2 283.401 0.228 20 0 CCADLP COCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001108768823 836523821 /nfs/dbraw/zinc/52/38/21/836523821.db2.gz HJEIMUATCVGZNN-OBJOEFQTSA-N 2 2 292.383 0.568 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001112965247 836981061 /nfs/dbraw/zinc/98/10/61/836981061.db2.gz GPRATPLGXKBYAM-CQSZACIVSA-N 2 2 283.416 0.507 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[NH+](CCC[C@@H](C)O)CC1 ZINC001113108912 837025035 /nfs/dbraw/zinc/02/50/35/837025035.db2.gz HHKJDLVTKWAYNQ-CQSZACIVSA-N 2 2 294.399 0.497 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@@H]([NH2+]CCCF)C1 ZINC001184492091 844239976 /nfs/dbraw/zinc/23/99/76/844239976.db2.gz IEQJBJBSNJRLLL-GFCCVEGCSA-N 2 2 282.363 0.903 20 0 CCADLP Cc1nc(NC[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])cc[nH+]1 ZINC001170277377 837289603 /nfs/dbraw/zinc/28/96/03/837289603.db2.gz OOTOIGFBHDNFNX-WZRBSPASSA-N 2 2 266.345 0.922 20 0 CCADLP Nc1cn2ccc(NCCOCCOCC[NH3+])cc2[nH+]1 ZINC001170508442 837876567 /nfs/dbraw/zinc/87/65/67/837876567.db2.gz UPFOYQYIOTUMMY-UHFFFAOYSA-N 2 2 279.344 0.320 20 0 CCADLP COc1c[nH+]c(N[C@H](C)[C@@H]2C[NH2+]CCO2)nc1NC1CC1 ZINC001170558362 838078455 /nfs/dbraw/zinc/07/84/55/838078455.db2.gz OGVBZONOUNNWED-KOLCDFICSA-N 2 2 293.371 0.848 20 0 CCADLP CCn1ccnc1C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132079675 838313499 /nfs/dbraw/zinc/31/34/99/838313499.db2.gz HVUJJLUJLQDYLL-UHFFFAOYSA-N 2 2 290.371 0.396 20 0 CCADLP CC(C)(C(=O)NCC[NH2+]Cc1nncs1)[NH+]1CCCC1 ZINC001132284153 838350035 /nfs/dbraw/zinc/35/00/35/838350035.db2.gz YPLWJQMAKJUVAF-UHFFFAOYSA-N 2 2 297.428 0.618 20 0 CCADLP C[NH+](C)CC1(C(=O)NCC[NH2+]Cc2ncccn2)CC1 ZINC001132993232 838532786 /nfs/dbraw/zinc/53/27/86/838532786.db2.gz OWFJWNUZQFKUDV-UHFFFAOYSA-N 2 2 277.372 0.024 20 0 CCADLP CCc1noc(C[NH2+]CCNC(=O)C2(C[NH+](C)C)CC2)n1 ZINC001132995011 838532973 /nfs/dbraw/zinc/53/29/73/838532973.db2.gz JVTCNHGNVXYLNF-UHFFFAOYSA-N 2 2 295.387 0.180 20 0 CCADLP CC(C)c1noc(C[NH2+]CCNC(=O)CCC[NH+](C)C)n1 ZINC001133040469 838540430 /nfs/dbraw/zinc/54/04/30/838540430.db2.gz SHIOKPWAABXAMB-UHFFFAOYSA-N 2 2 297.403 0.741 20 0 CCADLP CC(C)[C@H](C(=O)NCC[NH2+]Cc1cnsn1)[NH+](C)C ZINC001133415674 838622655 /nfs/dbraw/zinc/62/26/55/838622655.db2.gz JTZGQYNMNPJRGD-LLVKDONJSA-N 2 2 285.417 0.330 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)o1 ZINC001133865285 838757532 /nfs/dbraw/zinc/75/75/32/838757532.db2.gz BTSFPYWWUHRGGT-ZYHUDNBSSA-N 2 2 280.372 0.387 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)o1 ZINC001133865285 838757536 /nfs/dbraw/zinc/75/75/36/838757536.db2.gz BTSFPYWWUHRGGT-ZYHUDNBSSA-N 2 2 280.372 0.387 20 0 CCADLP C[C@@H](O)CCC[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001134498247 838995023 /nfs/dbraw/zinc/99/50/23/838995023.db2.gz BEFPDSAOBZVYPO-CHWSQXEVSA-N 2 2 282.388 0.701 20 0 CCADLP Cc1nc(N[C@@H]2C[NH2+]C[C@H]2CO)c2c([nH+]1)CCCC2 ZINC001170777613 839104071 /nfs/dbraw/zinc/10/40/71/839104071.db2.gz RHMGNWDMZGEKMX-GXFFZTMASA-N 2 2 262.357 0.656 20 0 CCADLP OC[C@H]1C[NH2+]C[C@@H]1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001170777824 839105634 /nfs/dbraw/zinc/10/56/34/839105634.db2.gz DDTVSQPWIKTEDG-YPMHNXCESA-N 2 2 262.357 0.674 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]C[C@@H]1CCOC1 ZINC001135072420 839151503 /nfs/dbraw/zinc/15/15/03/839151503.db2.gz VVFXQDLYLCXPQP-NEPJUHHUSA-N 2 2 280.372 0.331 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]C[C@@H]1CCOC1 ZINC001135072420 839151511 /nfs/dbraw/zinc/15/15/11/839151511.db2.gz VVFXQDLYLCXPQP-NEPJUHHUSA-N 2 2 280.372 0.331 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CC[C@H]1CCCO1 ZINC001135080122 839156177 /nfs/dbraw/zinc/15/61/77/839156177.db2.gz LDFBEKFZARVJNC-TZMCWYRMSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]CC[C@H]1CCCO1 ZINC001135080122 839156178 /nfs/dbraw/zinc/15/61/78/839156178.db2.gz LDFBEKFZARVJNC-TZMCWYRMSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@H](Nc1cc(N(C)C)nc[nH+]1)[C@H]1C[NH2+]CCO1 ZINC001159489496 839304128 /nfs/dbraw/zinc/30/41/28/839304128.db2.gz PHXXYWZCOLOGRJ-VHSXEESVSA-N 2 2 251.334 0.331 20 0 CCADLP C[C@H](Nc1cc(N(C)C)[nH+]cn1)[C@H]1C[NH2+]CCO1 ZINC001159489496 839304142 /nfs/dbraw/zinc/30/41/42/839304142.db2.gz PHXXYWZCOLOGRJ-VHSXEESVSA-N 2 2 251.334 0.331 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CC[C@@H]1CCCO1 ZINC001135757812 839391496 /nfs/dbraw/zinc/39/14/96/839391496.db2.gz QTAIABZXMYGOQZ-NSHDSACASA-N 2 2 266.345 0.227 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[NH2+]C2)CCN1 ZINC001246089262 839602621 /nfs/dbraw/zinc/60/26/21/839602621.db2.gz BXAIHDXYBGVAAM-UPJWGTAASA-N 2 2 269.389 0.402 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N(CCC[NH3+])C2CCCCC2)C[NH2+]1 ZINC001246177383 839662035 /nfs/dbraw/zinc/66/20/35/839662035.db2.gz NAZGRMGNNHKLGU-KGLIPLIRSA-N 2 2 283.416 0.873 20 0 CCADLP CC[C@H]([NH3+])CN[C@@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246311468 839783974 /nfs/dbraw/zinc/78/39/74/839783974.db2.gz DGCGERPOGPAONO-DCAQKATOSA-N 2 2 257.378 0.386 20 0 CCADLP CCCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090848385 839850969 /nfs/dbraw/zinc/85/09/69/839850969.db2.gz FVQWPCYAQXVERW-STQMWFEESA-N 2 2 280.372 0.235 20 0 CCADLP CCCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090848385 839850974 /nfs/dbraw/zinc/85/09/74/839850974.db2.gz FVQWPCYAQXVERW-STQMWFEESA-N 2 2 280.372 0.235 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001185969199 844479849 /nfs/dbraw/zinc/47/98/49/844479849.db2.gz URXMYQQAJWPMCS-CHWSQXEVSA-N 2 2 280.372 0.671 20 0 CCADLP c1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1)CS2 ZINC001246490199 839870875 /nfs/dbraw/zinc/87/08/75/839870875.db2.gz OZEUXFNORXDAMZ-CHWSQXEVSA-N 2 2 263.410 0.854 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246563601 840033427 /nfs/dbraw/zinc/03/34/27/840033427.db2.gz VHYYAHJLMYRDJC-QNMSZWNNSA-N 3 2 253.390 0.445 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246563601 840033431 /nfs/dbraw/zinc/03/34/31/840033431.db2.gz VHYYAHJLMYRDJC-QNMSZWNNSA-N 3 2 253.390 0.445 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CCN1 ZINC001246590175 840136958 /nfs/dbraw/zinc/13/69/58/840136958.db2.gz UBTTTXUDFLVZKE-XQHKEYJVSA-N 2 2 287.379 0.431 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CCN1 ZINC001246590175 840136963 /nfs/dbraw/zinc/13/69/63/840136963.db2.gz UBTTTXUDFLVZKE-XQHKEYJVSA-N 2 2 287.379 0.431 20 0 CCADLP C[C@@H]1CC[C@H](C[NH2+]CCCNC(=O)Cc2c[nH+]cn2C)O1 ZINC001171238942 840179746 /nfs/dbraw/zinc/17/97/46/840179746.db2.gz TWCNDSGWIRKEAX-TZMCWYRMSA-N 2 2 294.399 0.626 20 0 CCADLP CCO[C@@H](C[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001149123142 840323633 /nfs/dbraw/zinc/32/36/33/840323633.db2.gz GDCXBOZAEVXGJL-AWEZNQCLSA-N 2 2 294.399 0.782 20 0 CCADLP C[C@@H](C[C@H](C)[NH2+]Cc1cnon1)NC(=O)Cn1cc[nH+]c1 ZINC001146770459 840360035 /nfs/dbraw/zinc/36/00/35/840360035.db2.gz IHIGEAQHGJSXLU-QWRGUYRKSA-N 2 2 292.343 0.339 20 0 CCADLP Cc1nc(C)c(C[NH2+]CCNC(=O)Cc2[nH]c[nH+]c2C)o1 ZINC001149124902 840609146 /nfs/dbraw/zinc/60/91/46/840609146.db2.gz XCSHWTXSQBHKRD-UHFFFAOYSA-N 2 2 291.355 0.771 20 0 CCADLP O=C(NCC[NH2+]CCF)c1ccc(-n2cc[nH+]c2)cn1 ZINC001147614376 840647954 /nfs/dbraw/zinc/64/79/54/840647954.db2.gz AGLQPZVUJIBOLK-UHFFFAOYSA-N 2 2 277.303 0.556 20 0 CCADLP COC[C@@H](C)OC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000234753805 840677215 /nfs/dbraw/zinc/67/72/15/840677215.db2.gz KOTVXYOIBSFDQG-UPJWGTAASA-N 2 2 260.378 0.212 20 0 CCADLP COC[C@@H](C)OC[C@@H](O)C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000234753805 840677222 /nfs/dbraw/zinc/67/72/22/840677222.db2.gz KOTVXYOIBSFDQG-UPJWGTAASA-N 2 2 260.378 0.212 20 0 CCADLP Cc1cncc(C[NH2+]CCNC(=O)Cc2c[nH+]cn2C)c1 ZINC001147900547 840719818 /nfs/dbraw/zinc/71/98/18/840719818.db2.gz PROGQXDHQSNVIY-UHFFFAOYSA-N 2 2 287.367 0.572 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)o1 ZINC001147971276 840723682 /nfs/dbraw/zinc/72/36/82/840723682.db2.gz YWWQOJRZFOGZEM-UHFFFAOYSA-N 2 2 292.383 0.539 20 0 CCADLP C[N@H+]1CCOC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001273524830 844581043 /nfs/dbraw/zinc/58/10/43/844581043.db2.gz JOTWGUCXCGTVAL-CQSZACIVSA-N 2 2 278.356 0.064 20 0 CCADLP C[C@H](CCCC[NH2+]CCO)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001171358905 840946444 /nfs/dbraw/zinc/94/64/44/840946444.db2.gz NDCUABYQJLNRIH-JHJVBQTASA-N 2 2 294.399 0.770 20 0 CCADLP C[C@H](CCCC[NH2+]CCO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001171358905 840946451 /nfs/dbraw/zinc/94/64/51/840946451.db2.gz NDCUABYQJLNRIH-JHJVBQTASA-N 2 2 294.399 0.770 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]Cc1cnns1 ZINC001149570949 840964601 /nfs/dbraw/zinc/96/46/01/840964601.db2.gz IEUPMBFBDXTJFU-UHFFFAOYSA-N 2 2 294.384 0.110 20 0 CCADLP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001186824781 844606505 /nfs/dbraw/zinc/60/65/05/844606505.db2.gz LJSOVELGJHUPBG-GFCCVEGCSA-N 2 2 295.387 0.410 20 0 CCADLP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001186824781 844606510 /nfs/dbraw/zinc/60/65/10/844606510.db2.gz LJSOVELGJHUPBG-GFCCVEGCSA-N 2 2 295.387 0.410 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@H]1CCCS1(=O)=O ZINC000714339575 841194399 /nfs/dbraw/zinc/19/43/99/841194399.db2.gz QZGOYHLBFCKJFO-TUAOUCFPSA-N 2 2 260.403 0.684 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC000714339574 841194098 /nfs/dbraw/zinc/19/40/98/841194098.db2.gz QZGOYHLBFCKJFO-SRVKXCTJSA-N 2 2 260.403 0.684 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(C(C)(C)O)CC1)C1CC1 ZINC000716367967 841648959 /nfs/dbraw/zinc/64/89/59/841648959.db2.gz YLRFAIDEJFZDIK-CQSZACIVSA-N 2 2 270.417 0.924 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(C(C)(C)O)CC1)C1CC1 ZINC000716367967 841648961 /nfs/dbraw/zinc/64/89/61/841648961.db2.gz YLRFAIDEJFZDIK-CQSZACIVSA-N 2 2 270.417 0.924 20 0 CCADLP CC[NH+](CC)CC[NH2+]C1C[C@@H]2COC[C@H](C1)N2C ZINC001172122806 841854444 /nfs/dbraw/zinc/85/44/44/841854444.db2.gz GNLCZCVBSURIIB-AGUYFDCRSA-N 2 2 255.406 0.779 20 0 CCADLP COC(=O)[C@@H]1CCC[C@H](NC(=[NH2+])N2CC[NH+](C)CC2)C1 ZINC001172592239 841938658 /nfs/dbraw/zinc/93/86/58/841938658.db2.gz GNEXJJZKTJFMCW-NEPJUHHUSA-N 2 2 282.388 0.490 20 0 CCADLP CCOC(=O)[C@@H]1CC12CCC([NH2+][C@@H]1COC[C@H]1[NH3+])CC2 ZINC001173605031 842117337 /nfs/dbraw/zinc/11/73/37/842117337.db2.gz VKRMNPYJDOJCFA-FTBOAFTOSA-N 2 2 282.384 0.814 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC001174683252 842198923 /nfs/dbraw/zinc/19/89/23/842198923.db2.gz RWLYBNANUFPTMP-YPMHNXCESA-N 2 2 294.399 0.924 20 0 CCADLP C[N@@H+]1CCCn2nc(C(=O)N3CC[NH+]4CC[C@@H]4C3)cc2C1 ZINC001175078487 842228509 /nfs/dbraw/zinc/22/85/09/842228509.db2.gz ZQICWCOWQDBDRN-GFCCVEGCSA-N 2 2 289.383 0.249 20 0 CCADLP C[N@H+]1CCCn2nc(C(=O)N3CC[NH+]4CC[C@@H]4C3)cc2C1 ZINC001175078487 842228520 /nfs/dbraw/zinc/22/85/20/842228520.db2.gz ZQICWCOWQDBDRN-GFCCVEGCSA-N 2 2 289.383 0.249 20 0 CCADLP C[NH+]1CCCn2nc(C(=O)N3CC[N@@H+]4CC[C@@H]4C3)cc2C1 ZINC001175078487 842228529 /nfs/dbraw/zinc/22/85/29/842228529.db2.gz ZQICWCOWQDBDRN-GFCCVEGCSA-N 2 2 289.383 0.249 20 0 CCADLP C[NH+]1CCCn2nc(C(=O)N3CC[N@H+]4CC[C@@H]4C3)cc2C1 ZINC001175078487 842228541 /nfs/dbraw/zinc/22/85/41/842228541.db2.gz ZQICWCOWQDBDRN-GFCCVEGCSA-N 2 2 289.383 0.249 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC(F)(F)C(F)F)C1 ZINC001176058426 842319862 /nfs/dbraw/zinc/31/98/62/842319862.db2.gz XHWIFVFGBLYVEW-SECBINFHSA-N 2 2 299.312 0.934 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC(F)(F)C(F)F)C1 ZINC001176058426 842319876 /nfs/dbraw/zinc/31/98/76/842319876.db2.gz XHWIFVFGBLYVEW-SECBINFHSA-N 2 2 299.312 0.934 20 0 CCADLP C[C@H](CCCC[NH2+]C[C@H](C)O)NC(=O)Cn1cc[nH+]c1 ZINC001176829398 842415662 /nfs/dbraw/zinc/41/56/62/842415662.db2.gz MLVQRXHXLPPKMV-OLZOCXBDSA-N 2 2 282.388 0.529 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCCCCC[NH2+]CCO ZINC001179907104 843086692 /nfs/dbraw/zinc/08/66/92/843086692.db2.gz VUGLNQVGWDVAAW-UHFFFAOYSA-N 2 2 268.361 0.211 20 0 CCADLP C[N@@H+]1CCO[C@H]2CN(C(=O)CC34CCC[NH+]3CCC4)C[C@H]21 ZINC001181107127 843402323 /nfs/dbraw/zinc/40/23/23/843402323.db2.gz WJCGJYTYBLUPBM-KGLIPLIRSA-N 2 2 293.411 0.546 20 0 CCADLP C[N@H+]1CCO[C@H]2CN(C(=O)CC34CCC[NH+]3CCC4)C[C@H]21 ZINC001181107127 843402326 /nfs/dbraw/zinc/40/23/26/843402326.db2.gz WJCGJYTYBLUPBM-KGLIPLIRSA-N 2 2 293.411 0.546 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC000152437164 843909620 /nfs/dbraw/zinc/90/96/20/843909620.db2.gz UEZBCJUWZBNKLU-UHFFFAOYSA-N 2 2 285.432 0.897 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC000152437164 843909623 /nfs/dbraw/zinc/90/96/23/843909623.db2.gz UEZBCJUWZBNKLU-UHFFFAOYSA-N 2 2 285.432 0.897 20 0 CCADLP CC[N@H+](C)C(C)(C)C(=O)N1CC[NH+]([C@H](C)COC)CC1 ZINC000152664725 843956752 /nfs/dbraw/zinc/95/67/52/843956752.db2.gz BRMGHTIIIPFAIM-CYBMUJFWSA-N 2 2 285.432 0.896 20 0 CCADLP CC[N@@H+](C)C(C)(C)C(=O)N1CC[NH+]([C@H](C)COC)CC1 ZINC000152664725 843956758 /nfs/dbraw/zinc/95/67/58/843956758.db2.gz BRMGHTIIIPFAIM-CYBMUJFWSA-N 2 2 285.432 0.896 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001183116067 843967816 /nfs/dbraw/zinc/96/78/16/843967816.db2.gz MSQSAWMJPJEVFS-GFCCVEGCSA-N 2 2 266.345 0.179 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001183116067 843967820 /nfs/dbraw/zinc/96/78/20/843967820.db2.gz MSQSAWMJPJEVFS-GFCCVEGCSA-N 2 2 266.345 0.179 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001187092101 844649858 /nfs/dbraw/zinc/64/98/58/844649858.db2.gz OFHYDMOMTLOOAC-CJHWANRJSA-N 2 2 282.775 0.906 20 0 CCADLP C[C@@H](F)CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001188368591 844874735 /nfs/dbraw/zinc/87/47/35/844874735.db2.gz CJHBTNQMVVIURU-VXGBXAGGSA-N 2 2 268.336 0.822 20 0 CCADLP CC(C)OCCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001188369054 844874918 /nfs/dbraw/zinc/87/49/18/844874918.db2.gz NZMZPCUTXPYPAP-CQSZACIVSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@H](O)C[N@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001273598522 845385780 /nfs/dbraw/zinc/38/57/80/845385780.db2.gz CXACFXCEEXBVSZ-LBPRGKRZSA-N 2 2 268.361 0.044 20 0 CCADLP C[C@H](O)C[N@@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001273598522 845385787 /nfs/dbraw/zinc/38/57/87/845385787.db2.gz CXACFXCEEXBVSZ-LBPRGKRZSA-N 2 2 268.361 0.044 20 0 CCADLP CCOCCC[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192558233 845868040 /nfs/dbraw/zinc/86/80/40/845868040.db2.gz ARTHDCZBFGMHAB-AWEZNQCLSA-N 2 2 294.399 0.912 20 0 CCADLP CCOCCC[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192558233 845868047 /nfs/dbraw/zinc/86/80/47/845868047.db2.gz ARTHDCZBFGMHAB-AWEZNQCLSA-N 2 2 294.399 0.912 20 0 CCADLP C[C@H]1CC[N@@H+](Cc2cn3c(n2)C[NH2+]CC3)CC[C@@H]1C[NH3+] ZINC001205617548 845959555 /nfs/dbraw/zinc/95/95/55/845959555.db2.gz KPOYECLBXVEDGS-QWHCGFSZSA-N 3 2 277.416 0.793 20 0 CCADLP C[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194448292 846302779 /nfs/dbraw/zinc/30/27/79/846302779.db2.gz ARTZEPPGIGJJFK-KGLIPLIRSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194448292 846302795 /nfs/dbraw/zinc/30/27/95/846302795.db2.gz ARTZEPPGIGJJFK-KGLIPLIRSA-N 2 2 294.399 0.577 20 0 CCADLP COC[C@H](C)[NH2+]C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001200949802 847710482 /nfs/dbraw/zinc/71/04/82/847710482.db2.gz LRYBHWRSTUDLHE-LBPRGKRZSA-N 2 2 294.399 0.958 20 0 CCADLP COC[C@H](C)[NH2+]C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001200949802 847710488 /nfs/dbraw/zinc/71/04/88/847710488.db2.gz LRYBHWRSTUDLHE-LBPRGKRZSA-N 2 2 294.399 0.958 20 0 CCADLP C[NH+]1CCN(c2cc(-n3cncc(N)c3=N)cc[nH+]2)CC1 ZINC001201653601 847802748 /nfs/dbraw/zinc/80/27/48/847802748.db2.gz DNQLAJGJOJQVOZ-UHFFFAOYSA-N 2 2 285.355 0.081 20 0 CCADLP CCCC[NH2+][C@@]1(CO)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001273928681 847859867 /nfs/dbraw/zinc/85/98/67/847859867.db2.gz CQACFUXTDBFDTD-HNNXBMFYSA-N 2 2 294.399 0.695 20 0 CCADLP CC[NH+](CC)C[C@@H](O)CNCc1c[nH+]cn1CCOC ZINC001253208266 848159023 /nfs/dbraw/zinc/15/90/23/848159023.db2.gz PBNHYIJXKOEOGZ-AWEZNQCLSA-N 2 2 284.404 0.322 20 0 CCADLP COCCCC[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001202666625 848205949 /nfs/dbraw/zinc/20/59/49/848205949.db2.gz ACDBHRZLTKXZHE-UHFFFAOYSA-N 2 2 294.399 0.959 20 0 CCADLP CC(C)OC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000717431367 848260516 /nfs/dbraw/zinc/26/05/16/848260516.db2.gz QDVAOULVIMINOJ-RDBSUJKOSA-N 2 2 256.390 0.941 20 0 CCADLP CC(C)OC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000717431367 848260521 /nfs/dbraw/zinc/26/05/21/848260521.db2.gz QDVAOULVIMINOJ-RDBSUJKOSA-N 2 2 256.390 0.941 20 0 CCADLP CC(C)OC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000717431367 848260528 /nfs/dbraw/zinc/26/05/28/848260528.db2.gz QDVAOULVIMINOJ-RDBSUJKOSA-N 2 2 256.390 0.941 20 0 CCADLP CC(C)OC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000717431367 848260534 /nfs/dbraw/zinc/26/05/34/848260534.db2.gz QDVAOULVIMINOJ-RDBSUJKOSA-N 2 2 256.390 0.941 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NC/C=C/C[NH2+]Cc2cnon2)C1 ZINC001274367707 848460982 /nfs/dbraw/zinc/46/09/82/848460982.db2.gz FDLMXECMTSMTLE-JDGPPOGSSA-N 2 2 293.371 0.173 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)NC/C=C/C[NH2+]Cc2cnon2)C1 ZINC001274367707 848460984 /nfs/dbraw/zinc/46/09/84/848460984.db2.gz FDLMXECMTSMTLE-JDGPPOGSSA-N 2 2 293.371 0.173 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC/C=C/C[NH2+]C/C=C\Cl ZINC001274464898 848483358 /nfs/dbraw/zinc/48/33/58/848483358.db2.gz RHYADDJDQQFYMJ-XLFBNKDWSA-N 2 2 268.748 0.967 20 0 CCADLP COCCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001274647200 848530737 /nfs/dbraw/zinc/53/07/37/848530737.db2.gz ZIPPUJXOZZTCIC-OLZOCXBDSA-N 2 2 294.399 0.958 20 0 CCADLP COCCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001274647200 848530742 /nfs/dbraw/zinc/53/07/42/848530742.db2.gz ZIPPUJXOZZTCIC-OLZOCXBDSA-N 2 2 294.399 0.958 20 0 CCADLP c1cc(CN2C[C@@H]3C[C@H]2C[N@H+](CCn2cc[nH+]c2)C3)n[nH]1 ZINC001275204411 848664324 /nfs/dbraw/zinc/66/43/24/848664324.db2.gz AYDBEMFPLKLISQ-HIFRSBDPSA-N 2 2 286.383 0.813 20 0 CCADLP c1cc(CN2C[C@@H]3C[C@H]2C[N@@H+](CCn2cc[nH+]c2)C3)n[nH]1 ZINC001275204411 848664327 /nfs/dbraw/zinc/66/43/27/848664327.db2.gz AYDBEMFPLKLISQ-HIFRSBDPSA-N 2 2 286.383 0.813 20 0 CCADLP C[N@H+]1CC[C@H]2C[NH+](Cc3c(O)nc[nH]c3=O)C[C@H]2CC1 ZINC001275273407 848682847 /nfs/dbraw/zinc/68/28/47/848682847.db2.gz OIPDBBMOOIRKKZ-PHIMTYICSA-N 2 2 278.356 0.661 20 0 CCADLP C[N@@H+]1CC[C@H]2C[NH+](Cc3c(O)nc[nH]c3=O)C[C@H]2CC1 ZINC001275273407 848682848 /nfs/dbraw/zinc/68/28/48/848682848.db2.gz OIPDBBMOOIRKKZ-PHIMTYICSA-N 2 2 278.356 0.661 20 0 CCADLP C[NH+]1CC[C@H]2C[N@@H+](Cc3c(O)nc[nH]c3=O)C[C@H]2CC1 ZINC001275273407 848682850 /nfs/dbraw/zinc/68/28/50/848682850.db2.gz OIPDBBMOOIRKKZ-PHIMTYICSA-N 2 2 278.356 0.661 20 0 CCADLP C[NH+]1CC[C@H]2C[N@H+](Cc3c(O)nc[nH]c3=O)C[C@H]2CC1 ZINC001275273407 848682857 /nfs/dbraw/zinc/68/28/57/848682857.db2.gz OIPDBBMOOIRKKZ-PHIMTYICSA-N 2 2 278.356 0.661 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[NH2+]CCC[C@H](C)O ZINC001275422282 848717734 /nfs/dbraw/zinc/71/77/34/848717734.db2.gz RSLUURFTPXMUOW-QWRGUYRKSA-N 2 2 282.388 0.516 20 0 CCADLP COCC[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001275580842 848767386 /nfs/dbraw/zinc/76/73/86/848767386.db2.gz SUIHVLLBYXWGTM-GHMZBOCLSA-N 2 2 254.334 0.012 20 0 CCADLP C[C@@H]1C[C@@H]1C[N@H+]1C[C@H]2CN(CCn3cc[nH+]c3)C[C@@H](C1)O2 ZINC001276032923 848898587 /nfs/dbraw/zinc/89/85/87/848898587.db2.gz QPVYKWKYVIBOBW-FPCVCCKLSA-N 2 2 290.411 0.924 20 0 CCADLP C[C@@H]1C[C@@H]1C[N@@H+]1C[C@H]2CN(CCn3cc[nH+]c3)C[C@@H](C1)O2 ZINC001276032923 848898597 /nfs/dbraw/zinc/89/85/97/848898597.db2.gz QPVYKWKYVIBOBW-FPCVCCKLSA-N 2 2 290.411 0.924 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001276057224 848912225 /nfs/dbraw/zinc/91/22/25/848912225.db2.gz YBJMMEKHCCPYOG-UHFFFAOYSA-N 2 2 269.389 0.044 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001276057224 848912236 /nfs/dbraw/zinc/91/22/36/848912236.db2.gz YBJMMEKHCCPYOG-UHFFFAOYSA-N 2 2 269.389 0.044 20 0 CCADLP Cc1n[nH]cc1C[NH+]1CC2(CCN2CC[NH+](C)C)C1 ZINC001276068579 848915384 /nfs/dbraw/zinc/91/53/84/848915384.db2.gz YZEWEOHKDRBCAQ-UHFFFAOYSA-N 2 2 263.389 0.540 20 0 CCADLP C[C@H]1CC[C@@H](C[NH2+]CCCN(C)C(=O)Cc2c[nH+]c[nH]2)O1 ZINC001276245895 848970962 /nfs/dbraw/zinc/97/09/62/848970962.db2.gz YTQJCOAGCSYBCS-JSGCOSHPSA-N 2 2 294.399 0.958 20 0 CCADLP CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001037100464 849333522 /nfs/dbraw/zinc/33/35/22/849333522.db2.gz JIYLYGVHMHYGCT-MNOVXSKESA-N 2 2 250.346 0.847 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720828179 849545592 /nfs/dbraw/zinc/54/55/92/849545592.db2.gz MGGMOXOMHNKSGB-SRVKXCTJSA-N 2 2 260.378 0.068 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720828179 849545598 /nfs/dbraw/zinc/54/55/98/849545598.db2.gz MGGMOXOMHNKSGB-SRVKXCTJSA-N 2 2 260.378 0.068 20 0 CCADLP CC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1[NH2+]CCO ZINC001037855647 849599039 /nfs/dbraw/zinc/59/90/39/849599039.db2.gz WFVLZMGJZMMYOB-OCCSQVGLSA-N 2 2 294.399 0.551 20 0 CCADLP CC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CCO ZINC001037855647 849599042 /nfs/dbraw/zinc/59/90/42/849599042.db2.gz WFVLZMGJZMMYOB-OCCSQVGLSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C(=O)N1CCCC1 ZINC000381080698 849708753 /nfs/dbraw/zinc/70/87/53/849708753.db2.gz UOERBZHAOIFWPR-SNIKSBKOSA-N 2 2 263.385 0.583 20 0 CCADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(OCC(N)=O)cc1 ZINC000381156844 849734105 /nfs/dbraw/zinc/73/41/05/849734105.db2.gz ONIJYJOZIOUYCH-JTQLQIEISA-N 2 2 251.330 0.330 20 0 CCADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(OCC(N)=O)cc1 ZINC000381156844 849734112 /nfs/dbraw/zinc/73/41/12/849734112.db2.gz ONIJYJOZIOUYCH-JTQLQIEISA-N 2 2 251.330 0.330 20 0 CCADLP O=C(NC[C@@H]1CC[N@H+]1CCCO)[C@H]1CCc2c[nH+]cn2C1 ZINC001038424441 849890641 /nfs/dbraw/zinc/89/06/41/849890641.db2.gz PPKJSLNRSUKYNC-JSGCOSHPSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(NC[C@@H]1CC[N@@H+]1CCCO)[C@H]1CCc2c[nH+]cn2C1 ZINC001038424441 849890650 /nfs/dbraw/zinc/89/06/50/849890650.db2.gz PPKJSLNRSUKYNC-JSGCOSHPSA-N 2 2 292.383 0.018 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NC[C@@H]2CC[N@@H+]2CC2CC2)no1 ZINC001038441162 849900647 /nfs/dbraw/zinc/90/06/47/849900647.db2.gz FDMJACUTQDIIFD-LBPRGKRZSA-N 2 2 292.383 0.950 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NC[C@@H]2CC[N@H+]2CC2CC2)no1 ZINC001038441162 849900656 /nfs/dbraw/zinc/90/06/56/849900656.db2.gz FDMJACUTQDIIFD-LBPRGKRZSA-N 2 2 292.383 0.950 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1CC[N@@H+]1CCCO ZINC001038935440 850095215 /nfs/dbraw/zinc/09/52/15/850095215.db2.gz OAEKKXOYRCNLQO-GFCCVEGCSA-N 2 2 292.383 0.334 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1CC[N@H+]1CCCO ZINC001038935440 850095224 /nfs/dbraw/zinc/09/52/24/850095224.db2.gz OAEKKXOYRCNLQO-GFCCVEGCSA-N 2 2 292.383 0.334 20 0 CCADLP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001039269466 850168207 /nfs/dbraw/zinc/16/82/07/850168207.db2.gz LFPNTSWDASUMNK-DKUMPPAJSA-N 2 2 295.427 0.839 20 0 CCADLP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001039269466 850168212 /nfs/dbraw/zinc/16/82/12/850168212.db2.gz LFPNTSWDASUMNK-DKUMPPAJSA-N 2 2 295.427 0.839 20 0 CCADLP COC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042537884 850686550 /nfs/dbraw/zinc/68/65/50/850686550.db2.gz BPYUQOHJQRNLEM-DGCLKSJQSA-N 2 2 269.389 0.258 20 0 CCADLP COC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001042537884 850686555 /nfs/dbraw/zinc/68/65/55/850686555.db2.gz BPYUQOHJQRNLEM-DGCLKSJQSA-N 2 2 269.389 0.258 20 0 CCADLP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1C[NH+](CCC2CC2)C1 ZINC001042569981 850700721 /nfs/dbraw/zinc/70/07/21/850700721.db2.gz KXSQOBHWYJRHAV-AWEZNQCLSA-N 2 2 281.400 0.260 20 0 CCADLP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1C[NH+](CCC2CC2)C1 ZINC001042569981 850700729 /nfs/dbraw/zinc/70/07/29/850700729.db2.gz KXSQOBHWYJRHAV-AWEZNQCLSA-N 2 2 281.400 0.260 20 0 CCADLP CN(C(=O)C12CCC[NH+](CCC1)C2)C1C[NH+](CCCO)C1 ZINC001043059287 850804581 /nfs/dbraw/zinc/80/45/81/850804581.db2.gz WXNJKOCHIBURHI-UHFFFAOYSA-N 2 2 295.427 0.387 20 0 CCADLP CC(C)[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001043068447 850807208 /nfs/dbraw/zinc/80/72/08/850807208.db2.gz ZMZIETZMQLXIDK-DGCLKSJQSA-N 2 2 269.389 0.257 20 0 CCADLP CC(C)[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001043068447 850807212 /nfs/dbraw/zinc/80/72/12/850807212.db2.gz ZMZIETZMQLXIDK-DGCLKSJQSA-N 2 2 269.389 0.257 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001043198650 850833940 /nfs/dbraw/zinc/83/39/40/850833940.db2.gz XEODWRMNEBSSBA-HNNXBMFYSA-N 2 2 297.443 0.896 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001043198650 850833946 /nfs/dbraw/zinc/83/39/46/850833946.db2.gz XEODWRMNEBSSBA-HNNXBMFYSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@H](O)C[NH+]1CC(N(C)C(=O)c2occc2C[NH+](C)C)C1 ZINC001043667270 850921212 /nfs/dbraw/zinc/92/12/12/850921212.db2.gz OHJACIKFWVIGPI-NSHDSACASA-N 2 2 295.383 0.478 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001044031444 850988813 /nfs/dbraw/zinc/98/88/13/850988813.db2.gz ZQYQCSACODJRSV-HIFRSBDPSA-N 2 2 295.427 0.792 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001044031444 850988815 /nfs/dbraw/zinc/98/88/15/850988815.db2.gz ZQYQCSACODJRSV-HIFRSBDPSA-N 2 2 295.427 0.792 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N(C)C1C[NH+](CC2CC2)C1 ZINC001044299738 851071967 /nfs/dbraw/zinc/07/19/67/851071967.db2.gz JTOBJBTXXYNSBR-UHFFFAOYSA-N 2 2 262.357 0.744 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)C2C[NH+](CCC3CC3)C2)C1 ZINC001044317875 851074336 /nfs/dbraw/zinc/07/43/36/851074336.db2.gz XGOTZTRUNZUJMQ-HNNXBMFYSA-N 2 2 295.427 0.650 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N(C)C2C[NH+](CCC3CC3)C2)C1 ZINC001044317875 851074342 /nfs/dbraw/zinc/07/43/42/851074342.db2.gz XGOTZTRUNZUJMQ-HNNXBMFYSA-N 2 2 295.427 0.650 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2C[NH+](CC3CCC3)C2)C1 ZINC001044320884 851075984 /nfs/dbraw/zinc/07/59/84/851075984.db2.gz QGMNUWFICHSZNS-OAHLLOKOSA-N 2 2 295.427 0.650 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)C2C[NH+](CC3CCC3)C2)C1 ZINC001044320884 851075988 /nfs/dbraw/zinc/07/59/88/851075988.db2.gz QGMNUWFICHSZNS-OAHLLOKOSA-N 2 2 295.427 0.650 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](C[C@H](C)O)C1 ZINC001044336780 851080264 /nfs/dbraw/zinc/08/02/64/851080264.db2.gz VXVSBAJOIMSRDX-JSGCOSHPSA-N 2 2 283.416 0.384 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](C[C@H](C)O)C1 ZINC001044336780 851080268 /nfs/dbraw/zinc/08/02/68/851080268.db2.gz VXVSBAJOIMSRDX-JSGCOSHPSA-N 2 2 283.416 0.384 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC001044820415 851165322 /nfs/dbraw/zinc/16/53/22/851165322.db2.gz QKKWOAPXIWTQPH-NWDGAFQWSA-N 2 2 264.373 0.952 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]1C[NH2+]C[C@@H]1CCOC1 ZINC001045218882 851224829 /nfs/dbraw/zinc/22/48/29/851224829.db2.gz BRBFRDFRVDHAQZ-JSGCOSHPSA-N 2 2 292.383 0.569 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@]2(C)CC[NH+](CCC3CC3)C2)C1 ZINC001046219677 851426537 /nfs/dbraw/zinc/42/65/37/851426537.db2.gz PUNMVVVMGJVGIC-GDBMZVCRSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@]2(C)CC[NH+](CCC3CC3)C2)C1 ZINC001046219677 851426540 /nfs/dbraw/zinc/42/65/40/851426540.db2.gz PUNMVVVMGJVGIC-GDBMZVCRSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N[C@]2(C)CC[N@H+](CCC3CC3)C2)C1 ZINC001046219677 851426551 /nfs/dbraw/zinc/42/65/51/851426551.db2.gz PUNMVVVMGJVGIC-GDBMZVCRSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CCC3CC3)C2)C1 ZINC001046219677 851426560 /nfs/dbraw/zinc/42/65/60/851426560.db2.gz PUNMVVVMGJVGIC-GDBMZVCRSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@]1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC[N@H+](CCO)C1 ZINC001046433578 851502111 /nfs/dbraw/zinc/50/21/11/851502111.db2.gz HPLZTFRNJGWPHY-WFASDCNBSA-N 2 2 292.383 0.018 20 0 CCADLP C[C@]1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC[N@@H+](CCO)C1 ZINC001046433578 851502120 /nfs/dbraw/zinc/50/21/20/851502120.db2.gz HPLZTFRNJGWPHY-WFASDCNBSA-N 2 2 292.383 0.018 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)N[C@]2(C)CC[NH+](Cc3ccon3)C2)C1 ZINC001046835006 851624693 /nfs/dbraw/zinc/62/46/93/851624693.db2.gz ZMRJNVXBHJEGIF-SWLSCSKDSA-N 2 2 292.383 0.707 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)N[C@]2(C)CC[NH+](Cc3ccon3)C2)C1 ZINC001046835006 851624696 /nfs/dbraw/zinc/62/46/96/851624696.db2.gz ZMRJNVXBHJEGIF-SWLSCSKDSA-N 2 2 292.383 0.707 20 0 CCADLP C[NH+]1CC[C@H](C(=O)N[C@]2(C)CC[N@H+](Cc3ccon3)C2)C1 ZINC001046835006 851624700 /nfs/dbraw/zinc/62/47/00/851624700.db2.gz ZMRJNVXBHJEGIF-SWLSCSKDSA-N 2 2 292.383 0.707 20 0 CCADLP C[NH+]1CC[C@H](C(=O)N[C@]2(C)CC[N@@H+](Cc3ccon3)C2)C1 ZINC001046835006 851624705 /nfs/dbraw/zinc/62/47/05/851624705.db2.gz ZMRJNVXBHJEGIF-SWLSCSKDSA-N 2 2 292.383 0.707 20 0 CCADLP CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001047415889 851754766 /nfs/dbraw/zinc/75/47/66/851754766.db2.gz MUPULCIOPOJMOJ-RFHZTLPTSA-N 2 2 292.383 0.427 20 0 CCADLP CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001047415889 851754773 /nfs/dbraw/zinc/75/47/73/851754773.db2.gz MUPULCIOPOJMOJ-RFHZTLPTSA-N 2 2 292.383 0.427 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC000902497682 851961480 /nfs/dbraw/zinc/96/14/80/851961480.db2.gz AXLNFOXQPJFJIX-UTUOFQBUSA-N 2 2 277.372 0.349 20 0 CCADLP CC(C)[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001048489827 851963187 /nfs/dbraw/zinc/96/31/87/851963187.db2.gz LLBRSQBAPYKHLU-OLZOCXBDSA-N 2 2 264.373 0.976 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[N@@H+](CCF)C[C@@H]2C1 ZINC001048954639 852120289 /nfs/dbraw/zinc/12/02/89/852120289.db2.gz WIISDXSDQOJYCJ-BETUJISGSA-N 2 2 294.374 0.712 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[N@H+](CCF)C[C@@H]2C1 ZINC001048954639 852120294 /nfs/dbraw/zinc/12/02/94/852120294.db2.gz WIISDXSDQOJYCJ-BETUJISGSA-N 2 2 294.374 0.712 20 0 CCADLP CC(C)C[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001049083107 852157242 /nfs/dbraw/zinc/15/72/42/852157242.db2.gz QZPNKXHPFBDCFU-BETUJISGSA-N 2 2 276.384 0.998 20 0 CCADLP CC(C)C[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001049083107 852157249 /nfs/dbraw/zinc/15/72/49/852157249.db2.gz QZPNKXHPFBDCFU-BETUJISGSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1C[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC001049190482 852187073 /nfs/dbraw/zinc/18/70/73/852187073.db2.gz SKUWMWMXPXBZTM-TXEJJXNPSA-N 2 2 262.357 0.671 20 0 CCADLP CC[N@@H+]1C[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC001049190482 852187084 /nfs/dbraw/zinc/18/70/84/852187084.db2.gz SKUWMWMXPXBZTM-TXEJJXNPSA-N 2 2 262.357 0.671 20 0 CCADLP CC[C@H](C(=O)N1CCOC2(C[NH+](CC)C2)C1)[NH+](C)C ZINC001053307046 852726886 /nfs/dbraw/zinc/72/68/86/852726886.db2.gz ZYPIGQUWYFVYSY-GFCCVEGCSA-N 2 2 269.389 0.260 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)Cn1c[nH+]cc1C)CCO2 ZINC001053342757 852731025 /nfs/dbraw/zinc/73/10/25/852731025.db2.gz MIVHAVMRCBNJCQ-UHFFFAOYSA-N 2 2 292.383 0.515 20 0 CCADLP CC(C)[NH+]1CC2(C1)CN(C(=O)C[NH+]1CCCC1)CCO2 ZINC001053532454 852754027 /nfs/dbraw/zinc/75/40/27/852754027.db2.gz NIXRRDMQBOBWCP-UHFFFAOYSA-N 2 2 281.400 0.404 20 0 CCADLP CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)O2 ZINC001053582617 852765217 /nfs/dbraw/zinc/76/52/17/852765217.db2.gz ITKCOEGVEBNONU-CHWSQXEVSA-N 2 2 281.400 0.450 20 0 CCADLP CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)O2 ZINC001053582617 852765220 /nfs/dbraw/zinc/76/52/20/852765220.db2.gz ITKCOEGVEBNONU-CHWSQXEVSA-N 2 2 281.400 0.450 20 0 CCADLP CCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1cc[nH+]c1C)CO2 ZINC001054007067 852866571 /nfs/dbraw/zinc/86/65/71/852866571.db2.gz WDIHNLBUPODARG-CYBMUJFWSA-N 2 2 292.383 0.561 20 0 CCADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[NH+]1CCCC1)CO2 ZINC001054008808 852868372 /nfs/dbraw/zinc/86/83/72/852868372.db2.gz HQJNUUJVHABLQC-GFCCVEGCSA-N 2 2 267.373 0.062 20 0 CCADLP CC(C)[NH+]1CC2(C1)C[C@H](NC(=O)C[NH+]1CCCC1)CO2 ZINC001054009404 852868966 /nfs/dbraw/zinc/86/89/66/852868966.db2.gz WCIRVKKARKZCDD-ZDUSSCGKSA-N 2 2 281.400 0.450 20 0 CCADLP O=C(C[NH+]1CCCC1)N[C@@H]1COC2(C[NH+](CCCF)C2)C1 ZINC001054010626 852869052 /nfs/dbraw/zinc/86/90/52/852869052.db2.gz VTASJKJYAWPENE-ZDUSSCGKSA-N 2 2 299.390 0.401 20 0 CCADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)CO2 ZINC001054016487 852870711 /nfs/dbraw/zinc/87/07/11/852870711.db2.gz CPTZAPONOZVDDP-ZIAGYGMSSA-N 2 2 295.427 0.840 20 0 CCADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1CC)CO2 ZINC001054016487 852870718 /nfs/dbraw/zinc/87/07/18/852870718.db2.gz CPTZAPONOZVDDP-ZIAGYGMSSA-N 2 2 295.427 0.840 20 0 CCADLP CC[NH+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001050708932 853416659 /nfs/dbraw/zinc/41/66/59/853416659.db2.gz FGTQGFJVTKBXEV-UHFFFAOYSA-N 2 2 262.357 0.897 20 0 CCADLP CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CCO1 ZINC001051821270 853647888 /nfs/dbraw/zinc/64/78/88/853647888.db2.gz TXBIVXJUDHHHTG-NWDGAFQWSA-N 2 2 292.383 0.667 20 0 CCADLP CC(C)[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCO1 ZINC001051861737 853652039 /nfs/dbraw/zinc/65/20/39/853652039.db2.gz MWAINPMNXJNPOQ-TZMCWYRMSA-N 2 2 294.399 0.814 20 0 CCADLP CC(C)[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCO1 ZINC001051861737 853652044 /nfs/dbraw/zinc/65/20/44/853652044.db2.gz MWAINPMNXJNPOQ-TZMCWYRMSA-N 2 2 294.399 0.814 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@H](C[NH2+]C(C)C)C1 ZINC001051917594 853659853 /nfs/dbraw/zinc/65/98/53/853659853.db2.gz CXEMLHWASABTCI-GFCCVEGCSA-N 2 2 280.372 0.486 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC[NH+](CCF)CC2)C1 ZINC001052276193 853723619 /nfs/dbraw/zinc/72/36/19/853723619.db2.gz ZBXGSEFKJAHOFM-CHWSQXEVSA-N 2 2 287.379 0.257 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCC[NH+](CCF)CC2)C1 ZINC001052276193 853723624 /nfs/dbraw/zinc/72/36/24/853723624.db2.gz ZBXGSEFKJAHOFM-CHWSQXEVSA-N 2 2 287.379 0.257 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[N@H+](CCF)CC2)C1 ZINC001052276193 853723629 /nfs/dbraw/zinc/72/36/29/853723629.db2.gz ZBXGSEFKJAHOFM-CHWSQXEVSA-N 2 2 287.379 0.257 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCF)CC2)C1 ZINC001052276193 853723633 /nfs/dbraw/zinc/72/36/33/853723633.db2.gz ZBXGSEFKJAHOFM-CHWSQXEVSA-N 2 2 287.379 0.257 20 0 CCADLP COCC[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1C ZINC001072029246 854338977 /nfs/dbraw/zinc/33/89/77/854338977.db2.gz GMZMPPWPTPXXID-YPMHNXCESA-N 2 2 294.399 0.876 20 0 CCADLP COCC[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1C ZINC001072029246 854338979 /nfs/dbraw/zinc/33/89/79/854338979.db2.gz GMZMPPWPTPXXID-YPMHNXCESA-N 2 2 294.399 0.876 20 0 CCADLP CC[N@@H+]1CCO[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@H]21 ZINC001074268822 854706697 /nfs/dbraw/zinc/70/66/97/854706697.db2.gz OSHZVFUAONAJQE-CABCVRRESA-N 2 2 295.427 0.792 20 0 CCADLP CC[N@H+]1CCO[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@H]21 ZINC001074268822 854706702 /nfs/dbraw/zinc/70/67/02/854706702.db2.gz OSHZVFUAONAJQE-CABCVRRESA-N 2 2 295.427 0.792 20 0 CCADLP CC[NH+]1CCO[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC001074268822 854706706 /nfs/dbraw/zinc/70/67/06/854706706.db2.gz OSHZVFUAONAJQE-CABCVRRESA-N 2 2 295.427 0.792 20 0 CCADLP CC[NH+]1CCO[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21 ZINC001074268822 854706708 /nfs/dbraw/zinc/70/67/08/854706708.db2.gz OSHZVFUAONAJQE-CABCVRRESA-N 2 2 295.427 0.792 20 0 CCADLP CC[N@@H+]1CCO[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001074408056 854728376 /nfs/dbraw/zinc/72/83/76/854728376.db2.gz PKHYIWQYSXMKBM-KBPBESRZSA-N 2 2 281.400 0.404 20 0 CCADLP CC[N@H+]1CCO[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001074408056 854728379 /nfs/dbraw/zinc/72/83/79/854728379.db2.gz PKHYIWQYSXMKBM-KBPBESRZSA-N 2 2 281.400 0.404 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001074718234 854770517 /nfs/dbraw/zinc/77/05/17/854770517.db2.gz DAHJHCNZNXYTGG-AVGNSLFASA-N 2 2 292.383 0.017 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCF)C3)C1 ZINC001098774400 854885030 /nfs/dbraw/zinc/88/50/30/854885030.db2.gz ZZMGMNRFXWRHMF-GUTXKFCHSA-N 2 2 299.390 0.257 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCF)C3)C1 ZINC001098774400 854885040 /nfs/dbraw/zinc/88/50/40/854885040.db2.gz ZZMGMNRFXWRHMF-GUTXKFCHSA-N 2 2 299.390 0.257 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCF)C3)C1 ZINC001098774400 854885046 /nfs/dbraw/zinc/88/50/46/854885046.db2.gz ZZMGMNRFXWRHMF-GUTXKFCHSA-N 2 2 299.390 0.257 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCF)C3)C1 ZINC001098774400 854885053 /nfs/dbraw/zinc/88/50/53/854885053.db2.gz ZZMGMNRFXWRHMF-GUTXKFCHSA-N 2 2 299.390 0.257 20 0 CCADLP CC(C)C[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099939551 855039122 /nfs/dbraw/zinc/03/91/22/855039122.db2.gz HQSRHOCEMOBQQE-UONOGXRCSA-N 2 2 294.399 0.481 20 0 CCADLP CC(C)C[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099939551 855039124 /nfs/dbraw/zinc/03/91/24/855039124.db2.gz HQSRHOCEMOBQQE-UONOGXRCSA-N 2 2 294.399 0.481 20 0 CCADLP Cc1nc(N(C)CCNC(=O)C2(C[NH+](C)C)CC2)cc[nH+]1 ZINC001100288823 855138286 /nfs/dbraw/zinc/13/82/86/855138286.db2.gz SEAXENITEPFVKL-UHFFFAOYSA-N 2 2 291.399 0.679 20 0 CCADLP C[C@H](O)C[NH2+]C1CC(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001100528399 855183187 /nfs/dbraw/zinc/18/31/87/855183187.db2.gz AQMWQKRMYYZKKW-HIFPTAJRSA-N 2 2 294.399 0.218 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1CC([NH2+]CCO)C1 ZINC001100744406 855216878 /nfs/dbraw/zinc/21/68/78/855216878.db2.gz WXRSMUXAJFRPKJ-UNXYVOJBSA-N 2 2 280.372 0.065 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1CC([NH2+]CCO)C1 ZINC001100744406 855216884 /nfs/dbraw/zinc/21/68/84/855216884.db2.gz WXRSMUXAJFRPKJ-UNXYVOJBSA-N 2 2 280.372 0.065 20 0 CCADLP COC[C@H](C)[NH2+]C1CC(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001100921642 855238441 /nfs/dbraw/zinc/23/84/41/855238441.db2.gz WZUFXQGTJSQNLJ-PKSQDBQZSA-N 2 2 294.399 0.780 20 0 CCADLP CC[C@@H](C[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2)C1)OC ZINC001101071627 855259721 /nfs/dbraw/zinc/25/97/21/855259721.db2.gz RIFSTXAOCAHKLR-RUXDESIVSA-N 2 2 294.399 0.793 20 0 CCADLP COC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102407812 855434504 /nfs/dbraw/zinc/43/45/04/855434504.db2.gz NEFAYNWUQPYUMV-JHJVBQTASA-N 2 2 294.399 0.671 20 0 CCADLP COC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102407812 855434510 /nfs/dbraw/zinc/43/45/10/855434510.db2.gz NEFAYNWUQPYUMV-JHJVBQTASA-N 2 2 294.399 0.671 20 0 CCADLP COC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102482822 855438614 /nfs/dbraw/zinc/43/86/14/855438614.db2.gz KPYJREZLWDOIJP-JHJVBQTASA-N 2 2 294.399 0.671 20 0 CCADLP COC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102482822 855438620 /nfs/dbraw/zinc/43/86/20/855438620.db2.gz KPYJREZLWDOIJP-JHJVBQTASA-N 2 2 294.399 0.671 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)Nc2cc(C)[nH+]c(C)c2)C1 ZINC001117441505 855983037 /nfs/dbraw/zinc/98/30/37/855983037.db2.gz RHNBHHWCVXLCTK-CYBMUJFWSA-N 2 2 263.341 0.780 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)Nc2cc(C)[nH+]c(C)c2)C1 ZINC001117441505 855983046 /nfs/dbraw/zinc/98/30/46/855983046.db2.gz RHNBHHWCVXLCTK-CYBMUJFWSA-N 2 2 263.341 0.780 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1nnc(C2CCOCC2)[nH]1 ZINC001119031854 856533826 /nfs/dbraw/zinc/53/38/26/856533826.db2.gz RHOYUVDVBVYKTJ-UWVGGRQHSA-N 2 2 267.377 0.914 20 0 CCADLP C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001119232993 856591112 /nfs/dbraw/zinc/59/11/12/856591112.db2.gz OCSPCHPRRLFLAG-IJLUTSLNSA-N 2 2 262.357 0.971 20 0 CCADLP C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001119232993 856591121 /nfs/dbraw/zinc/59/11/21/856591121.db2.gz OCSPCHPRRLFLAG-IJLUTSLNSA-N 2 2 262.357 0.971 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)N1CCn2c[nH+]cc2C1 ZINC001119391996 856665917 /nfs/dbraw/zinc/66/59/17/856665917.db2.gz SJVNUDAFHKYQSB-LLVKDONJSA-N 2 2 263.345 0.503 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)N1CCn2c[nH+]cc2C1 ZINC001119391996 856665921 /nfs/dbraw/zinc/66/59/21/856665921.db2.gz SJVNUDAFHKYQSB-LLVKDONJSA-N 2 2 263.345 0.503 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)N1CCn2c[nH+]cc2C1 ZINC001119391997 856666109 /nfs/dbraw/zinc/66/61/09/856666109.db2.gz SJVNUDAFHKYQSB-NSHDSACASA-N 2 2 263.345 0.503 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)N1CCn2c[nH+]cc2C1 ZINC001119391997 856666117 /nfs/dbraw/zinc/66/61/17/856666117.db2.gz SJVNUDAFHKYQSB-NSHDSACASA-N 2 2 263.345 0.503 20 0 CCADLP CCOC[C@H](O)C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001120472327 857082108 /nfs/dbraw/zinc/08/21/08/857082108.db2.gz KEOXSGBIYPRXRV-MGPQQGTHSA-N 2 2 256.390 0.990 20 0 CCADLP CCOC[C@H](O)C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001120472327 857082111 /nfs/dbraw/zinc/08/21/11/857082111.db2.gz KEOXSGBIYPRXRV-MGPQQGTHSA-N 2 2 256.390 0.990 20 0 CCADLP CC1(C)C[NH2+]C[C@@H]1NC(=O)NCCCCn1cc[nH+]c1 ZINC001120487853 857089618 /nfs/dbraw/zinc/08/96/18/857089618.db2.gz JNGNWYUQVHWQHJ-LBPRGKRZSA-N 2 2 279.388 0.961 20 0 CCADLP O=C(C[NH+]1CCCC1)NCC1([NH2+]Cc2cnns2)CC1 ZINC001392957263 912289023 /nfs/dbraw/zinc/28/90/23/912289023.db2.gz SWFBJMZDASAFTM-UHFFFAOYSA-N 2 2 295.412 0.372 20 0 CCADLP CC[C@@H](C[NH2+]C1CC[NH+](CCNC(C)=O)CC1)OC ZINC001393419452 912558089 /nfs/dbraw/zinc/55/80/89/912558089.db2.gz RPOLNXDBDXSRQX-AWEZNQCLSA-N 2 2 271.405 0.602 20 0 CCADLP CC[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001393580877 912661619 /nfs/dbraw/zinc/66/16/19/912661619.db2.gz DZUYVIHJVPCMEP-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP CCC[NH2+][C@@]1(CO)CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001393705512 912724389 /nfs/dbraw/zinc/72/43/89/912724389.db2.gz QHRSFUGCOICBDK-HNNXBMFYSA-N 2 2 294.399 0.614 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC(=O)NC ZINC001394067255 912968826 /nfs/dbraw/zinc/96/88/26/912968826.db2.gz ORZVIZZQPLXFOT-STQMWFEESA-N 2 2 298.431 0.043 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC(=O)NC ZINC001394067255 912968838 /nfs/dbraw/zinc/96/88/38/912968838.db2.gz ORZVIZZQPLXFOT-STQMWFEESA-N 2 2 298.431 0.043 20 0 CCADLP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CC(=O)NC ZINC001394067255 912968851 /nfs/dbraw/zinc/96/88/51/912968851.db2.gz ORZVIZZQPLXFOT-STQMWFEESA-N 2 2 298.431 0.043 20 0 CCADLP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC ZINC001394067255 912968861 /nfs/dbraw/zinc/96/88/61/912968861.db2.gz ORZVIZZQPLXFOT-STQMWFEESA-N 2 2 298.431 0.043 20 0 CCADLP COCC[NH+]1CC([C@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001394227265 913086350 /nfs/dbraw/zinc/08/63/50/913086350.db2.gz UDGDXLIMVCDKDL-NSHDSACASA-N 2 2 280.372 0.425 20 0 CCADLP COCC[NH+]1CC([C@H](C)NC(=O)CCCn2cc[nH+]c2)C1 ZINC001394264161 913107160 /nfs/dbraw/zinc/10/71/60/913107160.db2.gz BEQDWZPMXOZDNI-ZDUSSCGKSA-N 2 2 294.399 0.746 20 0 CCADLP CN(CC(F)F)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336939828 921117094 /nfs/dbraw/zinc/11/70/94/921117094.db2.gz AEWONPCDHUSNOZ-UHFFFAOYSA-N 2 2 264.320 0.316 20 0 CCADLP CCNC(=O)C[N@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001480982957 892009104 /nfs/dbraw/zinc/00/91/04/892009104.db2.gz MAQPCSLOYDZRKI-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001480982957 892009120 /nfs/dbraw/zinc/00/91/20/892009120.db2.gz MAQPCSLOYDZRKI-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CCNC(=O)C[NH+](CC)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001480982957 892009134 /nfs/dbraw/zinc/00/91/34/892009134.db2.gz MAQPCSLOYDZRKI-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CCNC(=O)C[NH+](CC)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001480982957 892009149 /nfs/dbraw/zinc/00/91/49/892009149.db2.gz MAQPCSLOYDZRKI-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CC[N@H+](CCCF)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001481002243 892044035 /nfs/dbraw/zinc/04/40/35/892044035.db2.gz FNZZXALWQFYWOK-UHFFFAOYSA-N 2 2 256.325 0.750 20 0 CCADLP CC[N@@H+](CCCF)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001481002243 892044050 /nfs/dbraw/zinc/04/40/50/892044050.db2.gz FNZZXALWQFYWOK-UHFFFAOYSA-N 2 2 256.325 0.750 20 0 CCADLP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCF)[NH+](C)C ZINC001481046508 892110565 /nfs/dbraw/zinc/11/05/65/892110565.db2.gz WPCIAUXJJCEJNX-NWDGAFQWSA-N 2 2 259.369 0.877 20 0 CCADLP CC[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CCF)[NH+](C)C ZINC001481046508 892110574 /nfs/dbraw/zinc/11/05/74/892110574.db2.gz WPCIAUXJJCEJNX-NWDGAFQWSA-N 2 2 259.369 0.877 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CCC[N@@H+]1CCF ZINC001481068791 892125841 /nfs/dbraw/zinc/12/58/41/892125841.db2.gz SKGHKIGRGYVDEN-ZDUSSCGKSA-N 2 2 282.363 0.903 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CCC[N@H+]1CCF ZINC001481068791 892125844 /nfs/dbraw/zinc/12/58/44/892125844.db2.gz SKGHKIGRGYVDEN-ZDUSSCGKSA-N 2 2 282.363 0.903 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001481104038 892167683 /nfs/dbraw/zinc/16/76/83/892167683.db2.gz PTJONVKXQSIFQH-OLZOCXBDSA-N 2 2 294.399 0.172 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001481104038 892167689 /nfs/dbraw/zinc/16/76/89/892167689.db2.gz PTJONVKXQSIFQH-OLZOCXBDSA-N 2 2 294.399 0.172 20 0 CCADLP CN(CC[NH2+]CCF)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001481233194 892406025 /nfs/dbraw/zinc/40/60/25/892406025.db2.gz PJVNECZYOHEUAY-UHFFFAOYSA-N 2 2 282.363 0.779 20 0 CCADLP CC(C)=CC[NH2+][C@@H](CO)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001283814427 892431405 /nfs/dbraw/zinc/43/14/05/892431405.db2.gz WDMNSHORCBHGBL-ZIAGYGMSSA-N 2 2 294.399 0.867 20 0 CCADLP CN(CC[NH2+]Cc1cnsn1)C(=O)C12CC[NH+](CC1)C2 ZINC001481304456 892556322 /nfs/dbraw/zinc/55/63/22/892556322.db2.gz UDVKNLRTIIOLIP-UHFFFAOYSA-N 2 2 295.412 0.182 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001481433702 892655513 /nfs/dbraw/zinc/65/55/13/892655513.db2.gz AENPHWVCMXBEHW-STQMWFEESA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001481433702 892655525 /nfs/dbraw/zinc/65/55/25/892655525.db2.gz AENPHWVCMXBEHW-STQMWFEESA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001481433702 892655540 /nfs/dbraw/zinc/65/55/40/892655540.db2.gz AENPHWVCMXBEHW-STQMWFEESA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001481433702 892655549 /nfs/dbraw/zinc/65/55/49/892655549.db2.gz AENPHWVCMXBEHW-STQMWFEESA-N 2 2 294.399 0.551 20 0 CCADLP CC[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]C(C)C ZINC001481871313 893225578 /nfs/dbraw/zinc/22/55/78/893225578.db2.gz PXOOBTLLGBDFOD-NSHDSACASA-N 2 2 252.362 0.855 20 0 CCADLP C[C@H](CC(=O)N(C)[C@@H](C)C[NH2+]CCCO)n1cc[nH+]c1 ZINC001482338711 893887183 /nfs/dbraw/zinc/88/71/83/893887183.db2.gz PDMIYBXYGJKUQQ-OLZOCXBDSA-N 2 2 282.388 0.653 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001482555784 894234942 /nfs/dbraw/zinc/23/49/42/894234942.db2.gz DOSJPHXTVNGOPW-YPMHNXCESA-N 2 2 282.388 0.718 20 0 CCADLP CN(CC[N@H+](C)C[C@@H]1CCCCO1)C(=O)Cn1cc[nH+]c1 ZINC001482655162 894452946 /nfs/dbraw/zinc/45/29/46/894452946.db2.gz WLQOWNGFOLMWAT-AWEZNQCLSA-N 2 2 294.399 0.842 20 0 CCADLP CN(CC[N@@H+](C)C[C@@H]1CCCCO1)C(=O)Cn1cc[nH+]c1 ZINC001482655162 894452952 /nfs/dbraw/zinc/45/29/52/894452952.db2.gz WLQOWNGFOLMWAT-AWEZNQCLSA-N 2 2 294.399 0.842 20 0 CCADLP CC(C)[C@@H](C(=O)NC/C=C\C[NH2+]Cc1cnon1)[NH+](C)C ZINC001483086646 894889985 /nfs/dbraw/zinc/88/99/85/894889985.db2.gz LHGVNDXNIQRNRF-SZZPACECSA-N 2 2 295.387 0.418 20 0 CCADLP CO[C@H](C)C[NH2+]CC1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001409270603 894903381 /nfs/dbraw/zinc/90/33/81/894903381.db2.gz FGXTYWMGVYWFJZ-PNESKVBLSA-N 2 2 294.399 0.482 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1csnn1 ZINC001409450742 895186967 /nfs/dbraw/zinc/18/69/67/895186967.db2.gz VWBHYIGJBRXKOU-QWRGUYRKSA-N 2 2 299.444 0.863 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1csnn1 ZINC001409450742 895186975 /nfs/dbraw/zinc/18/69/75/895186975.db2.gz VWBHYIGJBRXKOU-QWRGUYRKSA-N 2 2 299.444 0.863 20 0 CCADLP C[C@H](O)C[NH2+]CCCN(C)C(=O)CCc1[nH+]ccn1C ZINC001483482351 895600771 /nfs/dbraw/zinc/60/07/71/895600771.db2.gz JRLVZTCLEKTEHV-LBPRGKRZSA-N 2 2 282.388 0.172 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](C[NH2+]CCF)C1CC1 ZINC001483588039 895667341 /nfs/dbraw/zinc/66/73/41/895667341.db2.gz AXRXJIQSWKTIPB-UPJWGTAASA-N 2 2 294.374 0.978 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001483916731 896113169 /nfs/dbraw/zinc/11/31/69/896113169.db2.gz CDNBONXBAZQEMI-CHWSQXEVSA-N 2 2 280.372 0.499 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CCn2cc[nH+]c2C1)S(C)(=O)=O ZINC001326597274 914041104 /nfs/dbraw/zinc/04/11/04/914041104.db2.gz UHJNSYSYNULESH-NXEZZACHSA-N 2 2 257.359 0.221 20 0 CCADLP CC(=O)NCC[NH+]1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC001484415523 896385121 /nfs/dbraw/zinc/38/51/21/896385121.db2.gz GPHAFBCWUDFBBO-CQSZACIVSA-N 2 2 283.416 0.603 20 0 CCADLP CCC1([NH2+]CCCO)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001484816348 896617373 /nfs/dbraw/zinc/61/73/73/896617373.db2.gz JFAPZKPJHLGGAS-UHFFFAOYSA-N 2 2 294.399 0.695 20 0 CCADLP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)Cc1cnnn1C ZINC001485343745 896968892 /nfs/dbraw/zinc/96/88/92/896968892.db2.gz AEVVXIBISJXGGY-LBPRGKRZSA-N 2 2 296.419 0.093 20 0 CCADLP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)Cc1cnnn1C ZINC001485343745 896968905 /nfs/dbraw/zinc/96/89/05/896968905.db2.gz AEVVXIBISJXGGY-LBPRGKRZSA-N 2 2 296.419 0.093 20 0 CCADLP CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001107908191 897484321 /nfs/dbraw/zinc/48/43/21/897484321.db2.gz JFHSYAJADIONIK-AWEZNQCLSA-N 2 2 280.372 0.569 20 0 CCADLP CC[N@H+]1CCO[C@@](C)(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001107908191 897484330 /nfs/dbraw/zinc/48/43/30/897484330.db2.gz JFHSYAJADIONIK-AWEZNQCLSA-N 2 2 280.372 0.569 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@]2(C1)CCC[N@@H+](CCO)C2 ZINC001040421561 897538999 /nfs/dbraw/zinc/53/89/99/897538999.db2.gz GFDPEKJSDCNZKC-OAHLLOKOSA-N 2 2 292.383 0.259 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@]2(C1)CCC[N@H+](CCO)C2 ZINC001040421561 897539010 /nfs/dbraw/zinc/53/90/10/897539010.db2.gz GFDPEKJSDCNZKC-OAHLLOKOSA-N 2 2 292.383 0.259 20 0 CCADLP CO[C@@H]1C[N@H+](CC2CC2)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001212383310 897773088 /nfs/dbraw/zinc/77/30/88/897773088.db2.gz NLVCMGSGBBHMHG-ZIAGYGMSSA-N 2 2 292.383 0.568 20 0 CCADLP CO[C@@H]1C[N@@H+](CC2CC2)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001212383310 897773097 /nfs/dbraw/zinc/77/30/97/897773097.db2.gz NLVCMGSGBBHMHG-ZIAGYGMSSA-N 2 2 292.383 0.568 20 0 CCADLP CO[C@@H]1C[N@H+](CC2CC2)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001212383310 897773111 /nfs/dbraw/zinc/77/31/11/897773111.db2.gz NLVCMGSGBBHMHG-ZIAGYGMSSA-N 2 2 292.383 0.568 20 0 CCADLP CO[C@@H]1C[N@@H+](CC2CC2)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001212383310 897773122 /nfs/dbraw/zinc/77/31/22/897773122.db2.gz NLVCMGSGBBHMHG-ZIAGYGMSSA-N 2 2 292.383 0.568 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3C/C=C\Cl)C1 ZINC001032781228 898179772 /nfs/dbraw/zinc/17/97/72/898179772.db2.gz OFPNGUMMVMJIIP-ROWREWPHSA-N 2 2 283.803 0.976 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3C/C=C\Cl)C1 ZINC001032781228 898179777 /nfs/dbraw/zinc/17/97/77/898179777.db2.gz OFPNGUMMVMJIIP-ROWREWPHSA-N 2 2 283.803 0.976 20 0 CCADLP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C/C=C\Cl)C1 ZINC001032781228 898179781 /nfs/dbraw/zinc/17/97/81/898179781.db2.gz OFPNGUMMVMJIIP-ROWREWPHSA-N 2 2 283.803 0.976 20 0 CCADLP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C/C=C\Cl)C1 ZINC001032781228 898179788 /nfs/dbraw/zinc/17/97/88/898179788.db2.gz OFPNGUMMVMJIIP-ROWREWPHSA-N 2 2 283.803 0.976 20 0 CCADLP CC[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078270665 898322961 /nfs/dbraw/zinc/32/29/61/898322961.db2.gz IEIPMVBPJSVRRO-YNEHKIRRSA-N 2 2 280.372 0.091 20 0 CCADLP CC[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078270665 898322978 /nfs/dbraw/zinc/32/29/78/898322978.db2.gz IEIPMVBPJSVRRO-YNEHKIRRSA-N 2 2 280.372 0.091 20 0 CCADLP COCC[NH2+][C@H](C)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001485950176 898515115 /nfs/dbraw/zinc/51/51/15/898515115.db2.gz YIECEPWLJLOELK-SNVBAGLBSA-N 2 2 268.361 0.344 20 0 CCADLP CC[NH2+][C@H](CO)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001410688649 899538659 /nfs/dbraw/zinc/53/86/59/899538659.db2.gz ZFCODKSONNGNCR-QWHCGFSZSA-N 2 2 282.388 0.557 20 0 CCADLP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1cnon1 ZINC001437207254 899610690 /nfs/dbraw/zinc/61/06/90/899610690.db2.gz YMEWYMDQYUXNKO-SNVBAGLBSA-N 2 2 281.360 0.006 20 0 CCADLP CC[N@H+](CCO)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001440452879 899766443 /nfs/dbraw/zinc/76/64/43/899766443.db2.gz KHLXDJBTTNCUQX-CYBMUJFWSA-N 2 2 280.372 0.257 20 0 CCADLP CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001440452879 899766451 /nfs/dbraw/zinc/76/64/51/899766451.db2.gz KHLXDJBTTNCUQX-CYBMUJFWSA-N 2 2 280.372 0.257 20 0 CCADLP C[C@H](CCCC[NH2+][C@@H](C)C(N)=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175874371 899971509 /nfs/dbraw/zinc/97/15/09/899971509.db2.gz SEOOTOOOANMCNF-MNOVXSKESA-N 2 2 295.387 0.091 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCn1cc[nH+]c1 ZINC001488643357 900327599 /nfs/dbraw/zinc/32/75/99/900327599.db2.gz ARERWIWQQFYGEO-UONOGXRCSA-N 2 2 294.399 0.841 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCn1cc[nH+]c1 ZINC001488643357 900327607 /nfs/dbraw/zinc/32/76/07/900327607.db2.gz ARERWIWQQFYGEO-UONOGXRCSA-N 2 2 294.399 0.841 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001488683386 900344013 /nfs/dbraw/zinc/34/40/13/900344013.db2.gz FUEWQHSTMFHLTF-VXGBXAGGSA-N 2 2 294.399 0.601 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001488683386 900344024 /nfs/dbraw/zinc/34/40/24/900344024.db2.gz FUEWQHSTMFHLTF-VXGBXAGGSA-N 2 2 294.399 0.601 20 0 CCADLP C[C@H]([NH2+]CCO)[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001398210400 914569659 /nfs/dbraw/zinc/56/96/59/914569659.db2.gz USVUKSJXPHTTCB-RYUDHWBXSA-N 2 2 280.372 0.304 20 0 CCADLP CCC[NH+]1CCN(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001398285252 914602783 /nfs/dbraw/zinc/60/27/83/914602783.db2.gz OQDVCNXSBUZZQW-UHFFFAOYSA-N 2 2 279.388 0.096 20 0 CCADLP C[C@@H](O)CCC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC001412959135 902393985 /nfs/dbraw/zinc/39/39/85/902393985.db2.gz KHEJNOHDWNQKOQ-TZMCWYRMSA-N 2 2 283.416 0.562 20 0 CCADLP C[C@@H](O)CCC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC001412959135 902393998 /nfs/dbraw/zinc/39/39/98/902393998.db2.gz KHEJNOHDWNQKOQ-TZMCWYRMSA-N 2 2 283.416 0.562 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC001413680792 903176374 /nfs/dbraw/zinc/17/63/74/903176374.db2.gz HLBSUCQRUAVQTK-UONOGXRCSA-N 2 2 291.399 0.889 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC001413680792 903176383 /nfs/dbraw/zinc/17/63/83/903176383.db2.gz HLBSUCQRUAVQTK-UONOGXRCSA-N 2 2 291.399 0.889 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001491069338 903329673 /nfs/dbraw/zinc/32/96/73/903329673.db2.gz IXUUCBKOSLXFQG-SDDRHHMPSA-N 2 2 280.372 0.234 20 0 CCADLP Cc1ncoc1C[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001442380570 903672244 /nfs/dbraw/zinc/67/22/44/903672244.db2.gz OVUDLGYRZUPCLR-LBPRGKRZSA-N 2 2 280.372 0.625 20 0 CCADLP Cc1ncoc1C[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001442380570 903672250 /nfs/dbraw/zinc/67/22/50/903672250.db2.gz OVUDLGYRZUPCLR-LBPRGKRZSA-N 2 2 280.372 0.625 20 0 CCADLP Cc1ncoc1C[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001442380570 903672258 /nfs/dbraw/zinc/67/22/58/903672258.db2.gz OVUDLGYRZUPCLR-LBPRGKRZSA-N 2 2 280.372 0.625 20 0 CCADLP Cc1ncoc1C[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001442380570 903672262 /nfs/dbraw/zinc/67/22/62/903672262.db2.gz OVUDLGYRZUPCLR-LBPRGKRZSA-N 2 2 280.372 0.625 20 0 CCADLP COCCCC[NH+]1CC([C@@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001276467669 903786326 /nfs/dbraw/zinc/78/63/26/903786326.db2.gz CLEWJOLPNDKRFC-CYBMUJFWSA-N 2 2 294.399 0.746 20 0 CCADLP Cc1c(CN2CCN[C@@]3(CC[NH2+]C3)C2)[nH+]c2ccccn21 ZINC001235050505 903968203 /nfs/dbraw/zinc/96/82/03/903968203.db2.gz DWHBIPYFWWUNRR-MRXNPFEDSA-N 2 2 285.395 0.780 20 0 CCADLP C[C@H](CNC(=O)CCC[NH+](C)C)[NH2+]Cc1cnon1 ZINC001491563822 903994090 /nfs/dbraw/zinc/99/40/90/903994090.db2.gz FSQKFWJJISHHHA-SNVBAGLBSA-N 2 2 269.349 0.006 20 0 CCADLP CC(C)OCC[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001281454478 904287053 /nfs/dbraw/zinc/28/70/53/904287053.db2.gz CYUPKIOBDDLYPS-STQMWFEESA-N 2 2 294.399 0.814 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]CCCO)[C@@H](C)C1 ZINC001281458808 904287103 /nfs/dbraw/zinc/28/71/03/904287103.db2.gz RDDJKPWZUFAMFF-GWCFXTLKSA-N 2 2 280.372 0.080 20 0 CCADLP CCC[NH2+]CC1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001281633926 904314427 /nfs/dbraw/zinc/31/44/27/904314427.db2.gz FTCRXHVKNARKIY-UHFFFAOYSA-N 2 2 280.372 0.305 20 0 CCADLP COCCC[NH+]1CC([C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001282716887 904529868 /nfs/dbraw/zinc/52/98/68/904529868.db2.gz NUBRZTOIFIGTDO-GFCCVEGCSA-N 2 2 294.399 0.815 20 0 CCADLP COCCC[NH+]1CC([C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001282716887 904529877 /nfs/dbraw/zinc/52/98/77/904529877.db2.gz NUBRZTOIFIGTDO-GFCCVEGCSA-N 2 2 294.399 0.815 20 0 CCADLP CCOCC[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC001284029528 905124158 /nfs/dbraw/zinc/12/41/58/905124158.db2.gz FBOUDBHHCFCUJI-STQMWFEESA-N 2 2 280.372 0.499 20 0 CCADLP CO[C@@H](C)C[N@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001377756192 905141556 /nfs/dbraw/zinc/14/15/56/905141556.db2.gz BEAKGSXKZJFGNI-QWHCGFSZSA-N 2 2 294.399 0.767 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001377756192 905141568 /nfs/dbraw/zinc/14/15/68/905141568.db2.gz BEAKGSXKZJFGNI-QWHCGFSZSA-N 2 2 294.399 0.767 20 0 CCADLP C[C@@H]1CC[C@H](C[NH+]2CC(NC(=O)C[N@H+](C)C3CCC3)C2)O1 ZINC001377890774 905219561 /nfs/dbraw/zinc/21/95/61/905219561.db2.gz JXGSWYVDWWIAOV-IUODEOHRSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1CC[C@H](C[NH+]2CC(NC(=O)C[N@@H+](C)C3CCC3)C2)O1 ZINC001377890774 905219579 /nfs/dbraw/zinc/21/95/79/905219579.db2.gz JXGSWYVDWWIAOV-IUODEOHRSA-N 2 2 295.427 0.839 20 0 CCADLP Cc1nocc1C[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001377913025 905243486 /nfs/dbraw/zinc/24/34/86/905243486.db2.gz XDDOGHODXSGEPH-GHMZBOCLSA-N 2 2 291.355 0.863 20 0 CCADLP CN(C[C@@H](O)C[NH2+]C/C=C\Cl)C(=O)Cn1cc[nH+]c1 ZINC001284479297 905311904 /nfs/dbraw/zinc/31/19/04/905311904.db2.gz XRIMHLYQVUYFKC-QUCGXOGASA-N 2 2 286.763 0.045 20 0 CCADLP CCC[N@H+](C)CC(=O)NC1(CCO)C[NH+](CCC)C1 ZINC001378351115 905603662 /nfs/dbraw/zinc/60/36/62/905603662.db2.gz GDEHNISXZHWPSH-UHFFFAOYSA-N 2 2 271.405 0.291 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC1(CCO)C[NH+](CCC)C1 ZINC001378351115 905603672 /nfs/dbraw/zinc/60/36/72/905603672.db2.gz GDEHNISXZHWPSH-UHFFFAOYSA-N 2 2 271.405 0.291 20 0 CCADLP CC(C)CC[NH+]1CC(CCO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001378358567 905607517 /nfs/dbraw/zinc/60/75/17/905607517.db2.gz ZVIMQKTTXOSSLD-UHFFFAOYSA-N 2 2 297.443 0.681 20 0 CCADLP CC[C@H](C(=O)N(C)CC[N@H+](C)Cc1cnnn1C)[NH+](C)C ZINC001379072803 905972243 /nfs/dbraw/zinc/97/22/43/905972243.db2.gz GRFATSKGJVXBJO-CYBMUJFWSA-N 2 2 296.419 0.046 20 0 CCADLP CC[C@H](C(=O)N(C)CC[N@@H+](C)Cc1cnnn1C)[NH+](C)C ZINC001379072803 905972261 /nfs/dbraw/zinc/97/22/61/905972261.db2.gz GRFATSKGJVXBJO-CYBMUJFWSA-N 2 2 296.419 0.046 20 0 CCADLP Cc1noc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001379101970 905997389 /nfs/dbraw/zinc/99/73/89/905997389.db2.gz ITHVZDPSWUFGMQ-JQWIXIFHSA-N 2 2 295.387 0.409 20 0 CCADLP Cc1noc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001379101970 905997402 /nfs/dbraw/zinc/99/74/02/905997402.db2.gz ITHVZDPSWUFGMQ-JQWIXIFHSA-N 2 2 295.387 0.409 20 0 CCADLP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC000829178697 906163342 /nfs/dbraw/zinc/16/33/42/906163342.db2.gz CUFKRUKKDJLJTJ-HIFRSBDPSA-N 3 2 268.449 0.552 20 0 CCADLP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC000829178697 906163349 /nfs/dbraw/zinc/16/33/49/906163349.db2.gz CUFKRUKKDJLJTJ-HIFRSBDPSA-N 3 2 268.449 0.552 20 0 CCADLP C[C@H](C[NH2+]Cc1csnn1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001379347049 906171737 /nfs/dbraw/zinc/17/17/37/906171737.db2.gz HBFXXHWHFDKVIA-MWLCHTKSSA-N 2 2 283.401 0.227 20 0 CCADLP C[C@H](C[NH2+]Cc1csnn1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001379347049 906171744 /nfs/dbraw/zinc/17/17/44/906171744.db2.gz HBFXXHWHFDKVIA-MWLCHTKSSA-N 2 2 283.401 0.227 20 0 CCADLP Cc1nnc(C[NH2+]C[C@H](C)NC(=O)Cn2cc[nH+]c2C)o1 ZINC001379598230 906370163 /nfs/dbraw/zinc/37/01/63/906370163.db2.gz JRCXKGZICAOQJK-VIFPVBQESA-N 2 2 292.343 0.177 20 0 CCADLP CCc1noc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001379599337 906371099 /nfs/dbraw/zinc/37/10/99/906371099.db2.gz LTNQDCQONNVQLC-WDEREUQCSA-N 2 2 295.387 0.178 20 0 CCADLP CCc1noc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001379599337 906371115 /nfs/dbraw/zinc/37/11/15/906371115.db2.gz LTNQDCQONNVQLC-WDEREUQCSA-N 2 2 295.387 0.178 20 0 CCADLP C[C@H]1[C@H](NC(=O)CCCn2cc[nH+]c2)CCC[N@@H+]1CCO ZINC001379657470 906417342 /nfs/dbraw/zinc/41/73/42/906417342.db2.gz RHUOYWWMPKTCPB-UONOGXRCSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@H]1[C@H](NC(=O)CCCn2cc[nH+]c2)CCC[N@H+]1CCO ZINC001379657470 906417348 /nfs/dbraw/zinc/41/73/48/906417348.db2.gz RHUOYWWMPKTCPB-UONOGXRCSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@@H](CC[NH+](C)C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC001293568957 906495561 /nfs/dbraw/zinc/49/55/61/906495561.db2.gz SCQNMSLAOZZDBH-NSHDSACASA-N 2 2 250.346 0.854 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001380056747 906613152 /nfs/dbraw/zinc/61/31/52/906613152.db2.gz VUSGLJAYLYOJLA-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001380056747 906613163 /nfs/dbraw/zinc/61/31/63/906613163.db2.gz VUSGLJAYLYOJLA-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP Cc1cnc(C[NH2+]C2(CNC(=O)CC[NH+](C)C)CC2)nc1 ZINC001380136790 906649172 /nfs/dbraw/zinc/64/91/72/906649172.db2.gz VGBWSUMNCIENRZ-UHFFFAOYSA-N 2 2 291.399 0.475 20 0 CCADLP CC(C)[NH+]1CC(N(C)C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001380258965 906698188 /nfs/dbraw/zinc/69/81/88/906698188.db2.gz YGYHAAYLKBRJLB-CYBMUJFWSA-N 2 2 283.416 0.506 20 0 CCADLP CO[C@@H](C)C[NH2+]C1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001381124758 907080924 /nfs/dbraw/zinc/08/09/24/907080924.db2.gz ARSJOFHLWQGUTA-LBPRGKRZSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)Nc1nccnc1C[NH3+] ZINC001337805728 921294768 /nfs/dbraw/zinc/29/47/68/921294768.db2.gz GLSJCMRBSBUEPA-SNVBAGLBSA-N 2 2 251.334 0.068 20 0 CCADLP CO[C@@H](C)C[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001381301836 907151315 /nfs/dbraw/zinc/15/13/15/907151315.db2.gz PRMVPCUNYJLSCR-JSGCOSHPSA-N 2 2 294.399 0.910 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001381301836 907151331 /nfs/dbraw/zinc/15/13/31/907151331.db2.gz PRMVPCUNYJLSCR-JSGCOSHPSA-N 2 2 294.399 0.910 20 0 CCADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1ccnn1C ZINC001381447722 907208864 /nfs/dbraw/zinc/20/88/64/907208864.db2.gz NBJRFLCOLVCIBQ-NWDGAFQWSA-N 2 2 290.371 0.300 20 0 CCADLP CCc1noc(C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C(C)C)n1 ZINC001491682911 907498683 /nfs/dbraw/zinc/49/86/83/907498683.db2.gz QKOSELYTWCABAS-NSHDSACASA-N 2 2 297.403 0.567 20 0 CCADLP CCc1noc(C[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)C(C)C)n1 ZINC001491682911 907498695 /nfs/dbraw/zinc/49/86/95/907498695.db2.gz QKOSELYTWCABAS-NSHDSACASA-N 2 2 297.403 0.567 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cnns1 ZINC001491694181 907506582 /nfs/dbraw/zinc/50/65/82/907506582.db2.gz NRWBVIIDEAWWPU-VIFPVBQESA-N 2 2 280.357 0.029 20 0 CCADLP Cc1oncc1C[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001491692858 907506771 /nfs/dbraw/zinc/50/67/71/907506771.db2.gz AGFDQMFNPAOLRB-JTQLQIEISA-N 2 2 277.328 0.474 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](C[NH2+]CCCF)C1 ZINC001491844085 907601558 /nfs/dbraw/zinc/60/15/58/907601558.db2.gz OBGSGKUPWSEGOK-LLVKDONJSA-N 2 2 268.336 0.750 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NC[C@@H](CO)[NH2+]C(C)C ZINC001382213790 907620916 /nfs/dbraw/zinc/62/09/16/907620916.db2.gz OJXQOXXABPLJPH-LBPRGKRZSA-N 2 2 281.356 0.108 20 0 CCADLP CCNC(=O)C[N@H+](C)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001492293344 907859164 /nfs/dbraw/zinc/85/91/64/907859164.db2.gz MFRPGTCQMNDSFE-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CCNC(=O)C[N@@H+](C)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001492293344 907859181 /nfs/dbraw/zinc/85/91/81/907859181.db2.gz MFRPGTCQMNDSFE-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CCNC(=O)C[NH+](C)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001492293344 907859196 /nfs/dbraw/zinc/85/91/96/907859196.db2.gz MFRPGTCQMNDSFE-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CCNC(=O)C[NH+](C)CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001492293344 907859215 /nfs/dbraw/zinc/85/92/15/907859215.db2.gz MFRPGTCQMNDSFE-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP Cc1[nH+]ccn1CCCCNC(=O)c1ncoc1C[NH3+] ZINC001336977074 908039903 /nfs/dbraw/zinc/03/99/03/908039903.db2.gz GCHYPPKRFIOFCM-UHFFFAOYSA-N 2 2 277.328 0.848 20 0 CCADLP C[C@H]([NH2+][C@@H]1C[C@@H]2COC[C@H]12)[C@H]1C[N@H+](C)CCN1C ZINC001308948150 908445200 /nfs/dbraw/zinc/44/52/00/908445200.db2.gz LGYNBTWSXJZROL-MEBFFEOJSA-N 2 2 253.390 0.245 20 0 CCADLP C[C@H]([NH2+][C@@H]1C[C@@H]2COC[C@H]12)[C@H]1C[N@@H+](C)CCN1C ZINC001308948150 908445207 /nfs/dbraw/zinc/44/52/07/908445207.db2.gz LGYNBTWSXJZROL-MEBFFEOJSA-N 2 2 253.390 0.245 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CC[N@@H+](CCCF)C1 ZINC001317534578 908615505 /nfs/dbraw/zinc/61/55/05/908615505.db2.gz SJFDBWVSYYLNAM-NSHDSACASA-N 2 2 268.336 0.750 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CC[N@H+](CCCF)C1 ZINC001317534578 908615524 /nfs/dbraw/zinc/61/55/24/908615524.db2.gz SJFDBWVSYYLNAM-NSHDSACASA-N 2 2 268.336 0.750 20 0 CCADLP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001317122352 908997329 /nfs/dbraw/zinc/99/73/29/908997329.db2.gz HUZUKMMGWKXSBW-MXWKQRLJSA-N 2 2 268.336 0.937 20 0 CCADLP CCOCC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001317367046 909160513 /nfs/dbraw/zinc/16/05/13/909160513.db2.gz XBKSWYDUFYKSPJ-ZIAGYGMSSA-N 2 2 294.399 0.937 20 0 CCADLP CC(C)OC[C@@H](O)C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC001338460131 921475012 /nfs/dbraw/zinc/47/50/12/921475012.db2.gz FQOIDOHMTPAYCT-STQMWFEESA-N 2 2 255.362 0.895 20 0 CCADLP C[C@H](CC(=O)N(C)CC[NH2+]C[C@@H]1CCOC1)n1cc[nH+]c1 ZINC001317636514 909431168 /nfs/dbraw/zinc/43/11/68/909431168.db2.gz PVAKEFZTSVFBJB-KGLIPLIRSA-N 2 2 294.399 0.919 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1nc(C)no1 ZINC001317654212 909446008 /nfs/dbraw/zinc/44/60/08/909446008.db2.gz YWNIHATXVCZYSA-UHFFFAOYSA-N 2 2 283.376 0.268 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)CC[NH2+]Cc1nc(C)no1 ZINC001317654212 909446021 /nfs/dbraw/zinc/44/60/21/909446021.db2.gz YWNIHATXVCZYSA-UHFFFAOYSA-N 2 2 283.376 0.268 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001390007358 910184142 /nfs/dbraw/zinc/18/41/42/910184142.db2.gz OPAJBURTCTZBOZ-ZDEQEGDKSA-N 2 2 280.372 0.452 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001319709914 910267324 /nfs/dbraw/zinc/26/73/24/910267324.db2.gz DBOJSTDOHXOUGV-WCQYABFASA-N 2 2 294.399 0.734 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001390601365 910540236 /nfs/dbraw/zinc/54/02/36/910540236.db2.gz BZWPVHLAFVICAN-CHWSQXEVSA-N 2 2 294.399 0.172 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CCO ZINC001417757233 921597239 /nfs/dbraw/zinc/59/72/39/921597239.db2.gz WFBGNLAZYGIMFU-AWEZNQCLSA-N 2 2 294.399 0.497 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)N(C)C[C@@H]1CC[N@H+]1CCO ZINC001417757233 921597247 /nfs/dbraw/zinc/59/72/47/921597247.db2.gz WFBGNLAZYGIMFU-AWEZNQCLSA-N 2 2 294.399 0.497 20 0 CCADLP CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001321124095 911101894 /nfs/dbraw/zinc/10/18/94/911101894.db2.gz DFLMSMTVESNSOP-VSQXVHSFSA-N 2 2 262.357 0.727 20 0 CCADLP C[C@@H](CC(=O)NCC1([NH2+]CCO)CCCC1)n1cc[nH+]c1 ZINC001392023167 911521441 /nfs/dbraw/zinc/52/14/41/911521441.db2.gz VRSMVSSZSXYCLZ-ZDUSSCGKSA-N 2 2 294.399 0.845 20 0 CCADLP CC[C@H](C[N@H+](C)CCN(C)C(=O)Cc1c[nH+]c[nH]1)OC ZINC001392304135 911714545 /nfs/dbraw/zinc/71/45/45/911714545.db2.gz MMSXKSHMMKVXGQ-CYBMUJFWSA-N 2 2 282.388 0.767 20 0 CCADLP CC[C@H](C[N@@H+](C)CCN(C)C(=O)Cc1c[nH+]c[nH]1)OC ZINC001392304135 911714557 /nfs/dbraw/zinc/71/45/57/911714557.db2.gz MMSXKSHMMKVXGQ-CYBMUJFWSA-N 2 2 282.388 0.767 20 0 CCADLP CC(C)[NH2+]C[C@@H](O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001392393679 911779838 /nfs/dbraw/zinc/77/98/38/911779838.db2.gz TZBNCQDONPHLLX-LLVKDONJSA-N 2 2 276.340 0.652 20 0 CCADLP Cc1cc(C[NH2+]C[C@@H](C)NC(=O)Cn2cc[nH+]c2C)no1 ZINC001392528654 911893430 /nfs/dbraw/zinc/89/34/30/911893430.db2.gz AWQJIXHAKGMRPM-SNVBAGLBSA-N 2 2 291.355 0.782 20 0 CCADLP C[C@@H](C[NH2+]CC1CCOCC1)NC(=O)Cc1c[nH+]cn1C ZINC001392608864 911983128 /nfs/dbraw/zinc/98/31/28/911983128.db2.gz SLKXLMUFMLVBFG-LBPRGKRZSA-N 2 2 294.399 0.484 20 0 CCADLP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C1)[NH+](CC)CC ZINC001417941539 921725166 /nfs/dbraw/zinc/72/51/66/921725166.db2.gz CIYSNVFNBSAGRK-CHWSQXEVSA-N 2 2 298.431 0.043 20 0 CCADLP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C1)[NH+](CC)CC ZINC001417941539 921725174 /nfs/dbraw/zinc/72/51/74/921725174.db2.gz CIYSNVFNBSAGRK-CHWSQXEVSA-N 2 2 298.431 0.043 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001392854764 912202818 /nfs/dbraw/zinc/20/28/18/912202818.db2.gz KNMGLBNWOXVLGV-STQMWFEESA-N 2 2 280.372 0.499 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001392854764 912202829 /nfs/dbraw/zinc/20/28/29/912202829.db2.gz KNMGLBNWOXVLGV-STQMWFEESA-N 2 2 280.372 0.499 20 0 CCADLP [NH3+]CCCn1cc(C(=O)NCCCCn2cc[nH+]c2)nn1 ZINC001328146010 914997499 /nfs/dbraw/zinc/99/74/99/914997499.db2.gz CXGBSTOMPQRWAT-UHFFFAOYSA-N 2 2 291.359 0.034 20 0 CCADLP Cc1oncc1C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001399660046 915304660 /nfs/dbraw/zinc/30/46/60/915304660.db2.gz YRPPRPZBOSGKLM-LBPRGKRZSA-N 2 2 280.372 0.483 20 0 CCADLP Cc1oncc1C[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001399660046 915304676 /nfs/dbraw/zinc/30/46/76/915304676.db2.gz YRPPRPZBOSGKLM-LBPRGKRZSA-N 2 2 280.372 0.483 20 0 CCADLP Cc1oncc1C[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001399660046 915304694 /nfs/dbraw/zinc/30/46/94/915304694.db2.gz YRPPRPZBOSGKLM-LBPRGKRZSA-N 2 2 280.372 0.483 20 0 CCADLP Cc1oncc1C[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001399660046 915304712 /nfs/dbraw/zinc/30/47/12/915304712.db2.gz YRPPRPZBOSGKLM-LBPRGKRZSA-N 2 2 280.372 0.483 20 0 CCADLP C[NH+]1CCC(ONC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001328832941 915456920 /nfs/dbraw/zinc/45/69/20/915456920.db2.gz SYXRWSCYSSLCGF-LLVKDONJSA-N 2 2 278.356 0.588 20 0 CCADLP C[C@H](O)C[N@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001400231097 915632096 /nfs/dbraw/zinc/63/20/96/915632096.db2.gz PNDRSJBSYNZOGI-RYUDHWBXSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@H](O)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001400231097 915632104 /nfs/dbraw/zinc/63/21/04/915632104.db2.gz PNDRSJBSYNZOGI-RYUDHWBXSA-N 2 2 280.372 0.113 20 0 CCADLP [NH3+]C1CCC(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001329107724 915673969 /nfs/dbraw/zinc/67/39/69/915673969.db2.gz UBZYZDFWFGQJJT-UNXYVOJBSA-N 2 2 262.357 0.832 20 0 CCADLP C[C@@H](CCC[NH3+])NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001329108409 915675032 /nfs/dbraw/zinc/67/50/32/915675032.db2.gz WXJNRJWAKDSZTN-WDEREUQCSA-N 2 2 250.346 0.689 20 0 CCADLP C[NH+]1CCC(OCC(=O)NCC2C[NH+](CCF)C2)CC1 ZINC001400541438 915803565 /nfs/dbraw/zinc/80/35/65/915803565.db2.gz KOKKWJUCRRDXDC-UHFFFAOYSA-N 2 2 287.379 0.115 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001401699662 916489099 /nfs/dbraw/zinc/48/90/99/916489099.db2.gz IPVFCHBVUSSMAY-JBLDHEPKSA-N 2 2 295.387 0.628 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001401699662 916489114 /nfs/dbraw/zinc/48/91/14/916489114.db2.gz IPVFCHBVUSSMAY-JBLDHEPKSA-N 2 2 295.387 0.628 20 0 CCADLP CC(C)C[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CCO)n1cc[nH+]c1 ZINC001401892777 916669358 /nfs/dbraw/zinc/66/93/58/916669358.db2.gz JEFWCHPMGZXKAD-KBPBESRZSA-N 2 2 294.399 0.653 20 0 CCADLP CC(C)C[C@@H](C(=O)NC[C@@H]1CC[N@H+]1CCO)n1cc[nH+]c1 ZINC001401892777 916669373 /nfs/dbraw/zinc/66/93/73/916669373.db2.gz JEFWCHPMGZXKAD-KBPBESRZSA-N 2 2 294.399 0.653 20 0 CCADLP CN1C[C@@H](C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)OC1=O ZINC001330568050 916705802 /nfs/dbraw/zinc/70/58/02/916705802.db2.gz RKHJGHARRYITCI-JSGCOSHPSA-N 2 2 267.373 0.855 20 0 CCADLP CN1C[C@@H](C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)OC1=O ZINC001330568050 916705817 /nfs/dbraw/zinc/70/58/17/916705817.db2.gz RKHJGHARRYITCI-JSGCOSHPSA-N 2 2 267.373 0.855 20 0 CCADLP CN1C[C@@H](C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)OC1=O ZINC001330568050 916705836 /nfs/dbraw/zinc/70/58/36/916705836.db2.gz RKHJGHARRYITCI-JSGCOSHPSA-N 2 2 267.373 0.855 20 0 CCADLP CN1C[C@@H](C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)OC1=O ZINC001330568050 916705845 /nfs/dbraw/zinc/70/58/45/916705845.db2.gz RKHJGHARRYITCI-JSGCOSHPSA-N 2 2 267.373 0.855 20 0 CCADLP CC(C)[C@@H](C(=O)N(C)C1C[NH+](CCCO)C1)[NH+]1CCCC1 ZINC001402044700 916771141 /nfs/dbraw/zinc/77/11/41/916771141.db2.gz QUSJXPZPWRYNQV-HNNXBMFYSA-N 2 2 297.443 0.632 20 0 CCADLP C[NH+](C)CCONC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC001330820212 916893368 /nfs/dbraw/zinc/89/33/68/916893368.db2.gz URTLBSGQLLMXMK-UHFFFAOYSA-N 2 2 299.415 0.631 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001402449848 917025214 /nfs/dbraw/zinc/02/52/14/917025214.db2.gz APHFLPQQGJRMCT-OAHLLOKOSA-N 2 2 294.399 0.482 20 0 CCADLP CC(C)C[N@H+]1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001402449848 917025236 /nfs/dbraw/zinc/02/52/36/917025236.db2.gz APHFLPQQGJRMCT-OAHLLOKOSA-N 2 2 294.399 0.482 20 0 CCADLP C[C@H](O)C[N@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001402629887 917138547 /nfs/dbraw/zinc/13/85/47/917138547.db2.gz ICMOOPDMLPJPEZ-YNEHKIRRSA-N 2 2 294.399 0.674 20 0 CCADLP C[C@H](O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001402629887 917138561 /nfs/dbraw/zinc/13/85/61/917138561.db2.gz ICMOOPDMLPJPEZ-YNEHKIRRSA-N 2 2 294.399 0.674 20 0 CCADLP C[C@H](O)C[N@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001402629887 917138574 /nfs/dbraw/zinc/13/85/74/917138574.db2.gz ICMOOPDMLPJPEZ-YNEHKIRRSA-N 2 2 294.399 0.674 20 0 CCADLP C[C@H](O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001402629887 917138592 /nfs/dbraw/zinc/13/85/92/917138592.db2.gz ICMOOPDMLPJPEZ-YNEHKIRRSA-N 2 2 294.399 0.674 20 0 CCADLP C[C@@H](O)C[N@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001402629879 917140383 /nfs/dbraw/zinc/14/03/83/917140383.db2.gz ICMOOPDMLPJPEZ-JHJVBQTASA-N 2 2 294.399 0.674 20 0 CCADLP C[C@@H](O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001402629879 917140390 /nfs/dbraw/zinc/14/03/90/917140390.db2.gz ICMOOPDMLPJPEZ-JHJVBQTASA-N 2 2 294.399 0.674 20 0 CCADLP C[C@@H](O)C[N@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001402629879 917140399 /nfs/dbraw/zinc/14/03/99/917140399.db2.gz ICMOOPDMLPJPEZ-JHJVBQTASA-N 2 2 294.399 0.674 20 0 CCADLP C[C@@H](O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001402629879 917140408 /nfs/dbraw/zinc/14/04/08/917140408.db2.gz ICMOOPDMLPJPEZ-JHJVBQTASA-N 2 2 294.399 0.674 20 0 CCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H](C[NH2+]CCCO)C1CC1 ZINC001331333967 917269665 /nfs/dbraw/zinc/26/96/65/917269665.db2.gz NMEHEKQSEUKDSQ-ZDUSSCGKSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@H](O)C[NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001331470542 917353601 /nfs/dbraw/zinc/35/36/01/917353601.db2.gz PRKHKYKFFMWJBC-QWRGUYRKSA-N 2 2 268.361 0.160 20 0 CCADLP C[C@H](O)C[NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001331470542 917353615 /nfs/dbraw/zinc/35/36/15/917353615.db2.gz PRKHKYKFFMWJBC-QWRGUYRKSA-N 2 2 268.361 0.160 20 0 CCADLP CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC[NH2+]CC1 ZINC001331467210 917356160 /nfs/dbraw/zinc/35/61/60/917356160.db2.gz XWLIQOANVWHFLY-NSHDSACASA-N 2 2 262.357 0.656 20 0 CCADLP Cc1noc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]2CCCC2)n1 ZINC001403029399 917429387 /nfs/dbraw/zinc/42/93/87/917429387.db2.gz GMIQAITYFXEZMF-QWRGUYRKSA-N 2 2 295.387 0.457 20 0 CCADLP CCc1nnc(C[NH2+][C@@H](C)CNC(=O)[C@H](CC)[NH+](C)C)o1 ZINC001403086429 917465240 /nfs/dbraw/zinc/46/52/40/917465240.db2.gz PMJWSKRXISWMDY-QWRGUYRKSA-N 2 2 297.403 0.567 20 0 CCADLP COCC[N@H+](C)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001403326942 917652016 /nfs/dbraw/zinc/65/20/16/917652016.db2.gz ZGCUARJAZQHHDD-LBPRGKRZSA-N 2 2 280.372 0.521 20 0 CCADLP COCC[N@@H+](C)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001403326942 917652021 /nfs/dbraw/zinc/65/20/21/917652021.db2.gz ZGCUARJAZQHHDD-LBPRGKRZSA-N 2 2 280.372 0.521 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@H+](CCO)CC1(C)C ZINC001403377666 917684521 /nfs/dbraw/zinc/68/45/21/917684521.db2.gz RWSXAXGMTIVLSK-DGCLKSJQSA-N 2 2 294.399 0.407 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@@H+](CCO)CC1(C)C ZINC001403377666 917684536 /nfs/dbraw/zinc/68/45/36/917684536.db2.gz RWSXAXGMTIVLSK-DGCLKSJQSA-N 2 2 294.399 0.407 20 0 CCADLP Cn1c[nH+]cc1CC[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC001331953813 917748269 /nfs/dbraw/zinc/74/82/69/917748269.db2.gz ANFDZCNMPXUBFK-LBPRGKRZSA-N 2 2 290.371 0.380 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[NH+](C)Cc2ccnn2C)CC[N@@H+]1C ZINC001403570793 917819364 /nfs/dbraw/zinc/81/93/64/917819364.db2.gz YPNIXWDPAQVNBJ-TZMCWYRMSA-N 2 2 293.415 0.308 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[NH+](C)Cc2ccnn2C)CC[N@H+]1C ZINC001403570793 917819376 /nfs/dbraw/zinc/81/93/76/917819376.db2.gz YPNIXWDPAQVNBJ-TZMCWYRMSA-N 2 2 293.415 0.308 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[N@H+](C)Cc2ccnn2C)CC[NH+]1C ZINC001403570793 917819385 /nfs/dbraw/zinc/81/93/85/917819385.db2.gz YPNIXWDPAQVNBJ-TZMCWYRMSA-N 2 2 293.415 0.308 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[N@@H+](C)Cc2ccnn2C)CC[NH+]1C ZINC001403570793 917819402 /nfs/dbraw/zinc/81/94/02/917819402.db2.gz YPNIXWDPAQVNBJ-TZMCWYRMSA-N 2 2 293.415 0.308 20 0 CCADLP Cn1cc(N2CC[C@@H]([NH2+][C@H]3CC[NH2+]C3(C)C)C2)cn1 ZINC001332401223 918124755 /nfs/dbraw/zinc/12/47/55/918124755.db2.gz KVHLQHQIXLUMAP-YPMHNXCESA-N 2 2 263.389 0.729 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CCC[N@H+]1CCCO ZINC001403979480 918153124 /nfs/dbraw/zinc/15/31/24/918153124.db2.gz BREFFKRKMVVCCJ-ZDUSSCGKSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CCC[N@@H+]1CCCO ZINC001403979480 918153129 /nfs/dbraw/zinc/15/31/29/918153129.db2.gz BREFFKRKMVVCCJ-ZDUSSCGKSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CCC[N@H+]1CCCO ZINC001403979480 918153140 /nfs/dbraw/zinc/15/31/40/918153140.db2.gz BREFFKRKMVVCCJ-ZDUSSCGKSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CCC[N@@H+]1CCCO ZINC001403979480 918153143 /nfs/dbraw/zinc/15/31/43/918153143.db2.gz BREFFKRKMVVCCJ-ZDUSSCGKSA-N 2 2 280.372 0.305 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001404538296 918387799 /nfs/dbraw/zinc/38/77/99/918387799.db2.gz BMPJXWPAJDTLNW-KBPBESRZSA-N 2 2 294.399 0.746 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001404538296 918387809 /nfs/dbraw/zinc/38/78/09/918387809.db2.gz BMPJXWPAJDTLNW-KBPBESRZSA-N 2 2 294.399 0.746 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC1C[NH+](C[C@H]2CC[C@H](C)O2)C1 ZINC001404842482 918490712 /nfs/dbraw/zinc/49/07/12/918490712.db2.gz LAHHXGPXWHHONL-GXTWGEPZSA-N 2 2 283.416 0.695 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC1C[NH+](C[C@H]2CC[C@H](C)O2)C1 ZINC001404842482 918490718 /nfs/dbraw/zinc/49/07/18/918490718.db2.gz LAHHXGPXWHHONL-GXTWGEPZSA-N 2 2 283.416 0.695 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001332976166 918572584 /nfs/dbraw/zinc/57/25/84/918572584.db2.gz NGAWNLNCIYLPPS-IRCOFANPSA-N 2 2 260.341 0.724 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001332976166 918572594 /nfs/dbraw/zinc/57/25/94/918572594.db2.gz NGAWNLNCIYLPPS-IRCOFANPSA-N 2 2 260.341 0.724 20 0 CCADLP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC001405136773 918618834 /nfs/dbraw/zinc/61/88/34/918618834.db2.gz ZPIIKGASNPLDFE-AWEZNQCLSA-N 2 2 293.415 0.405 20 0 CCADLP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001405136773 918618846 /nfs/dbraw/zinc/61/88/46/918618846.db2.gz ZPIIKGASNPLDFE-AWEZNQCLSA-N 2 2 293.415 0.405 20 0 CCADLP CNC(=O)C1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC001333394081 918864894 /nfs/dbraw/zinc/86/48/94/918864894.db2.gz PBKYDHRGMKHTTH-UHFFFAOYSA-N 2 2 250.346 0.421 20 0 CCADLP COC[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)CCc1[nH+]ccn1C ZINC001405849075 918944436 /nfs/dbraw/zinc/94/44/36/918944436.db2.gz OGGIQOWWAYTWAY-STQMWFEESA-N 2 2 296.415 0.824 20 0 CCADLP C[C@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001406131185 919073305 /nfs/dbraw/zinc/07/33/05/919073305.db2.gz YPGTWPYEDUCKQI-GFCCVEGCSA-N 2 2 298.431 0.125 20 0 CCADLP C[C@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001406131185 919073321 /nfs/dbraw/zinc/07/33/21/919073321.db2.gz YPGTWPYEDUCKQI-GFCCVEGCSA-N 2 2 298.431 0.125 20 0 CCADLP CC(=O)OC[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001333709110 919113144 /nfs/dbraw/zinc/11/31/44/919113144.db2.gz AMDPCWPDSNVMIP-DRZSPHRISA-N 2 2 256.346 0.391 20 0 CCADLP CC(=O)OC[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001333709110 919113153 /nfs/dbraw/zinc/11/31/53/919113153.db2.gz AMDPCWPDSNVMIP-DRZSPHRISA-N 2 2 256.346 0.391 20 0 CCADLP CC[C@H](C[N@@H+]1CC[C@H]1CNC(=O)Cc1c[nH+]cn1C)OC ZINC001406867478 919507420 /nfs/dbraw/zinc/50/74/20/919507420.db2.gz AXRVWXWADQTLGS-GXTWGEPZSA-N 2 2 294.399 0.578 20 0 CCADLP CC[C@H](C[N@H+]1CC[C@H]1CNC(=O)Cc1c[nH+]cn1C)OC ZINC001406867478 919507432 /nfs/dbraw/zinc/50/74/32/919507432.db2.gz AXRVWXWADQTLGS-GXTWGEPZSA-N 2 2 294.399 0.578 20 0 CCADLP OCCCOCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001334406489 919558310 /nfs/dbraw/zinc/55/83/10/919558310.db2.gz QWIPBLUFDNVTRC-KGLIPLIRSA-N 2 2 256.390 0.992 20 0 CCADLP OCCCOCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001334406489 919558318 /nfs/dbraw/zinc/55/83/18/919558318.db2.gz QWIPBLUFDNVTRC-KGLIPLIRSA-N 2 2 256.390 0.992 20 0 CCADLP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]Cc3cnon3)CC2)C1 ZINC001406992877 919567880 /nfs/dbraw/zinc/56/78/80/919567880.db2.gz ZBCZJGGZFHSLKX-LLVKDONJSA-N 2 2 293.371 0.150 20 0 CCADLP C[N@H+]1CC[C@H](CC(=O)NCC2([NH2+]Cc3cnon3)CC2)C1 ZINC001406992877 919567886 /nfs/dbraw/zinc/56/78/86/919567886.db2.gz ZBCZJGGZFHSLKX-LLVKDONJSA-N 2 2 293.371 0.150 20 0 CCADLP COCC[N@@H+]1CCC[C@](C)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001407285264 919687472 /nfs/dbraw/zinc/68/74/72/919687472.db2.gz BLZGWZZKEXIINK-OAHLLOKOSA-N 2 2 294.399 0.817 20 0 CCADLP COCC[N@H+]1CCC[C@](C)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001407285264 919687483 /nfs/dbraw/zinc/68/74/83/919687483.db2.gz BLZGWZZKEXIINK-OAHLLOKOSA-N 2 2 294.399 0.817 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001335325905 920121964 /nfs/dbraw/zinc/12/19/64/920121964.db2.gz AZLFWBDDXIEROO-QJPTWQEYSA-N 2 2 263.345 0.465 20 0 CCADLP CON(C)CC[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001335411610 920176626 /nfs/dbraw/zinc/17/66/26/920176626.db2.gz HWCDDUWZWDCAIF-HNNXBMFYSA-N 2 2 281.400 0.562 20 0 CCADLP CON(C)CC[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001335411610 920176634 /nfs/dbraw/zinc/17/66/34/920176634.db2.gz HWCDDUWZWDCAIF-HNNXBMFYSA-N 2 2 281.400 0.562 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)NOCC2CC2)CC1 ZINC001335569977 920285712 /nfs/dbraw/zinc/28/57/12/920285712.db2.gz DURQLVURQIPWDC-UHFFFAOYSA-N 2 2 256.350 0.050 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@H]1C[NH2+]CC1(C)C ZINC001335665972 920357447 /nfs/dbraw/zinc/35/74/47/920357447.db2.gz MUDNBJAOHGSLTG-JTQLQIEISA-N 2 2 251.334 0.217 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CC[C@H](C[NH+](C)C)C2)c1 ZINC001414663842 920452263 /nfs/dbraw/zinc/45/22/63/920452263.db2.gz BOEJLQGJOSDYLZ-GFCCVEGCSA-N 2 2 279.388 0.556 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC001336078352 920598701 /nfs/dbraw/zinc/59/87/01/920598701.db2.gz CVZKSXXVFRUXRZ-CYBMUJFWSA-N 2 2 262.357 0.563 20 0 CCADLP C[C@H](C[NH2+]C[C@H](C)S(C)(=O)=O)Cn1cc[nH+]c1 ZINC001336764378 920988586 /nfs/dbraw/zinc/98/85/86/920988586.db2.gz XHRQBRKWAZBMLQ-MNOVXSKESA-N 2 2 259.375 0.542 20 0 CCADLP [NH3+][C@@H](CC(=O)NCCCC[NH+]1CCOCC1)C(F)F ZINC001340042220 921926838 /nfs/dbraw/zinc/92/68/38/921926838.db2.gz VTDRJVLVJDYWRZ-JTQLQIEISA-N 2 2 279.331 0.198 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1CC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC001340206306 922008760 /nfs/dbraw/zinc/00/87/60/922008760.db2.gz RCSHDKFTCZXYLG-FRRDWIJNSA-N 2 2 269.389 0.069 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1CC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC001340206306 922008777 /nfs/dbraw/zinc/00/87/77/922008777.db2.gz RCSHDKFTCZXYLG-FRRDWIJNSA-N 2 2 269.389 0.069 20 0 CCADLP Cc1cc(C[NH2+][C@@H](C)CCNC(=O)Cn2cc[nH+]c2)on1 ZINC001418437398 922107838 /nfs/dbraw/zinc/10/78/38/922107838.db2.gz MWKNQVRMOQHZOX-NSHDSACASA-N 2 2 291.355 0.864 20 0 CCADLP [NH3+]C1(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC001340614963 922142309 /nfs/dbraw/zinc/14/23/09/922142309.db2.gz MFTXDBNIIORJCX-NSHDSACASA-N 2 2 262.357 0.833 20 0 CCADLP C[C@H]1CC[C@H](C[N@H+](C)CCNC(=O)Cc2[nH]cc[nH+]2)O1 ZINC001418507806 922199881 /nfs/dbraw/zinc/19/98/81/922199881.db2.gz XWYJMFWTEZBOPU-NWDGAFQWSA-N 2 2 280.372 0.568 20 0 CCADLP C[C@H]1CC[C@H](C[N@@H+](C)CCNC(=O)Cc2[nH]cc[nH+]2)O1 ZINC001418507806 922199890 /nfs/dbraw/zinc/19/98/90/922199890.db2.gz XWYJMFWTEZBOPU-NWDGAFQWSA-N 2 2 280.372 0.568 20 0 CCADLP C[N@H+](CCNC(=O)Cn1cc[nH+]c1)C[C@H]1C[C@@]12CCOC2 ZINC001418526549 922221284 /nfs/dbraw/zinc/22/12/84/922221284.db2.gz AIUMEHWLXQPSMQ-UKRRQHHQSA-N 2 2 292.383 0.358 20 0 CCADLP C[N@@H+](CCNC(=O)Cn1cc[nH+]c1)C[C@H]1C[C@@]12CCOC2 ZINC001418526549 922221301 /nfs/dbraw/zinc/22/13/01/922221301.db2.gz AIUMEHWLXQPSMQ-UKRRQHHQSA-N 2 2 292.383 0.358 20 0 CCADLP CC[C@@H](C[NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)C1)OC ZINC001418710272 922380542 /nfs/dbraw/zinc/38/05/42/922380542.db2.gz RIFSTXAOCAHKLR-IHRRRGAJSA-N 2 2 294.399 0.793 20 0 CCADLP CC1(C)[C@@H]2[NH2+]CCC[C@H]2[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001341591515 922571931 /nfs/dbraw/zinc/57/19/31/922571931.db2.gz DANDIQPOHDFXDX-WQAKAFBOSA-N 2 2 262.357 0.845 20 0 CCADLP [NH3+][C@@H]1C[C@H](NC(=O)/C=C\C[NH+]2CCOCC2)C12CCC2 ZINC001341656134 922608362 /nfs/dbraw/zinc/60/83/62/922608362.db2.gz OWEXLNBSMWTJRU-APDIZUKHSA-N 2 2 279.384 0.261 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001341900033 922717881 /nfs/dbraw/zinc/71/78/81/922717881.db2.gz YHXJFLDFJPGNSK-GRYCIOLGSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001341900033 922717889 /nfs/dbraw/zinc/71/78/89/922717889.db2.gz YHXJFLDFJPGNSK-GRYCIOLGSA-N 2 2 262.357 0.656 20 0 CCADLP CC(C)[NH2+]C[C@@](C)(NC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001419339916 922774217 /nfs/dbraw/zinc/77/42/17/922774217.db2.gz NEMREUDZWVYINJ-UKRRQHHQSA-N 2 2 283.416 0.600 20 0 CCADLP CC(C)[NH2+]C[C@@](C)(NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001419339916 922774225 /nfs/dbraw/zinc/77/42/25/922774225.db2.gz NEMREUDZWVYINJ-UKRRQHHQSA-N 2 2 283.416 0.600 20 0 CCADLP CCc1[nH+]ccn1CCNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC001419413915 922817189 /nfs/dbraw/zinc/81/71/89/922817189.db2.gz SLHIYWMVUDJRGI-RISCZKNCSA-N 2 2 280.372 0.017 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC001342304422 922902672 /nfs/dbraw/zinc/90/26/72/922902672.db2.gz WOWKDDDSIXDKTB-NEPJUHHUSA-N 2 2 257.378 0.164 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1nncs1 ZINC001419551464 922908349 /nfs/dbraw/zinc/90/83/49/922908349.db2.gz WYXIREFUVRAZQV-JTQLQIEISA-N 2 2 294.384 0.277 20 0 CCADLP [NH3+][C@@H]1Cc2ccccc2N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001343685886 923418734 /nfs/dbraw/zinc/41/87/34/923418734.db2.gz JTENZZXFTKOVJL-LLVKDONJSA-N 2 2 256.309 0.869 20 0 CCADLP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001343706912 923432767 /nfs/dbraw/zinc/43/27/67/923432767.db2.gz FQPCXVRLLBCOSI-NEPJUHHUSA-N 2 2 250.346 0.872 20 0 CCADLP CCN(C(=O)Cc1[nH]c[nH+]c1C)[C@H]1CCC[NH2+]C1 ZINC001343850709 923485464 /nfs/dbraw/zinc/48/54/64/923485464.db2.gz DZOPKIPSAFOHPP-NSHDSACASA-N 2 2 250.346 0.861 20 0 CCADLP COC[C@H](C)[N@H+](C)CCNC(=O)CCc1[nH+]ccn1C ZINC001420276453 923491036 /nfs/dbraw/zinc/49/10/36/923491036.db2.gz YTZRSNFQVBPTDE-LBPRGKRZSA-N 2 2 282.388 0.436 20 0 CCADLP COC[C@H](C)[N@@H+](C)CCNC(=O)CCc1[nH+]ccn1C ZINC001420276453 923491068 /nfs/dbraw/zinc/49/10/68/923491068.db2.gz YTZRSNFQVBPTDE-LBPRGKRZSA-N 2 2 282.388 0.436 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[N@H+](C)C[C@@H]1CCOC1 ZINC001420346886 923561043 /nfs/dbraw/zinc/56/10/43/923561043.db2.gz XJSNMXMIHMFVST-ZDUSSCGKSA-N 2 2 294.399 0.437 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[N@@H+](C)C[C@@H]1CCOC1 ZINC001420346886 923561056 /nfs/dbraw/zinc/56/10/56/923561056.db2.gz XJSNMXMIHMFVST-ZDUSSCGKSA-N 2 2 294.399 0.437 20 0 CCADLP C[N@@H+](CCNC(=O)C[NH+]1CCCC1)CC(=O)NC(C)(C)C ZINC001420346688 923562284 /nfs/dbraw/zinc/56/22/84/923562284.db2.gz QIFNQXYQKGLAGZ-UHFFFAOYSA-N 2 2 298.431 0.045 20 0 CCADLP C[C@@H](C[NH2+]C[C@H]1CCOC1)NC(=O)CCn1cc[nH+]c1 ZINC001420445261 923672889 /nfs/dbraw/zinc/67/28/89/923672889.db2.gz DKRKWNMXYFRUTH-QWHCGFSZSA-N 2 2 280.372 0.404 20 0 CCADLP CC[C@@H](C[N@H+](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1)OC ZINC001420643814 923847628 /nfs/dbraw/zinc/84/76/28/923847628.db2.gz XRYAYZOFJOYJLU-NEPJUHHUSA-N 2 2 282.388 0.814 20 0 CCADLP CC[C@@H](C[N@@H+](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1)OC ZINC001420643814 923847639 /nfs/dbraw/zinc/84/76/39/923847639.db2.gz XRYAYZOFJOYJLU-NEPJUHHUSA-N 2 2 282.388 0.814 20 0 CCADLP C[C@@H]([NH2+]CCO)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001420759489 923924274 /nfs/dbraw/zinc/92/42/74/923924274.db2.gz PQGGBFGYXBTLEM-LLVKDONJSA-N 2 2 280.372 0.161 20 0 CCADLP CC1(C)C[NH2+]C[C@@H]1NC(=O)NCCn1cc[nH+]c1 ZINC001346151036 924086559 /nfs/dbraw/zinc/08/65/59/924086559.db2.gz RTAQUOMJXLISRK-JTQLQIEISA-N 2 2 251.334 0.180 20 0 CCADLP CN(C)C(=O)CCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC001346424044 924205729 /nfs/dbraw/zinc/20/57/29/924205729.db2.gz PGQRWNRHTCGIHB-UHFFFAOYSA-N 2 2 265.361 0.400 20 0 CCADLP Cn1cc[nH+]c1CCNC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC001348266941 924632388 /nfs/dbraw/zinc/63/23/88/924632388.db2.gz SBDWENYVYYFIEN-LLVKDONJSA-N 2 2 264.373 0.952 20 0 CCADLP Cn1cc[nH+]c1CCNC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC001348266941 924632394 /nfs/dbraw/zinc/63/23/94/924632394.db2.gz SBDWENYVYYFIEN-LLVKDONJSA-N 2 2 264.373 0.952 20 0 CCADLP Cn1cc[nH+]c1Cn1cc(CSCC[NH3+])nn1 ZINC001349746040 925039261 /nfs/dbraw/zinc/03/92/61/925039261.db2.gz UUYHYOQQFCHZKQ-UHFFFAOYSA-N 2 2 252.347 0.252 20 0 CCADLP CCN1C[C@H](C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)OC1=O ZINC001352923948 925673402 /nfs/dbraw/zinc/67/34/02/925673402.db2.gz ARVHCCRABKIILX-FRRDWIJNSA-N 2 2 267.373 0.853 20 0 CCADLP CCN1C[C@H](C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)OC1=O ZINC001352923948 925673407 /nfs/dbraw/zinc/67/34/07/925673407.db2.gz ARVHCCRABKIILX-FRRDWIJNSA-N 2 2 267.373 0.853 20 0 CCADLP CCN1C[C@H](C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)OC1=O ZINC001352923948 925673409 /nfs/dbraw/zinc/67/34/09/925673409.db2.gz ARVHCCRABKIILX-FRRDWIJNSA-N 2 2 267.373 0.853 20 0 CCADLP CCN1C[C@H](C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)OC1=O ZINC001352923948 925673416 /nfs/dbraw/zinc/67/34/16/925673416.db2.gz ARVHCCRABKIILX-FRRDWIJNSA-N 2 2 267.373 0.853 20 0 CCADLP CCC1(CNC(=O)NCC[NH+]2CCC([NH3+])CC2)CC1 ZINC001353376436 925815644 /nfs/dbraw/zinc/81/56/44/925815644.db2.gz LHDMKGZEOKSGRH-UHFFFAOYSA-N 2 2 268.405 0.899 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC001353403890 925822474 /nfs/dbraw/zinc/82/24/74/925822474.db2.gz AGYMRQSLNFMVLU-MFKMUULPSA-N 2 2 263.345 0.443 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)[C@H](C)[NH3+] ZINC001354854280 926175028 /nfs/dbraw/zinc/17/50/28/926175028.db2.gz OGMOQMWDLGLVMB-GRYCIOLGSA-N 2 2 257.378 0.197 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC001355440212 926260994 /nfs/dbraw/zinc/26/09/94/926260994.db2.gz FAPBULPCRPBKHK-UHFFFAOYSA-N 2 2 294.399 0.366 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC001355440212 926260998 /nfs/dbraw/zinc/26/09/98/926260998.db2.gz FAPBULPCRPBKHK-UHFFFAOYSA-N 2 2 294.399 0.366 20 0 CCADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@@H]1CCCCC[NH2+]1 ZINC001355520470 926276021 /nfs/dbraw/zinc/27/60/21/926276021.db2.gz MTTQKMRYMMMNJG-YVZNUBBCSA-N 2 2 281.400 0.523 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CCCC[NH2+]1 ZINC001356607541 926410144 /nfs/dbraw/zinc/41/01/44/926410144.db2.gz PQJVBTOWKTXAML-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP CC[C@@H](C)OCC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001358111950 926639880 /nfs/dbraw/zinc/63/98/80/926639880.db2.gz UXXRAMORGXHBCL-LLVKDONJSA-N 2 2 257.378 0.341 20 0 CCADLP CC1(C)CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1[NH3+] ZINC001358131120 926643779 /nfs/dbraw/zinc/64/37/79/926643779.db2.gz MSQONGKFFOJOON-WDEREUQCSA-N 2 2 262.357 0.641 20 0 CCADLP CCCC[N@@H+]1CC[C@](O)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001421396003 926724571 /nfs/dbraw/zinc/72/45/71/926724571.db2.gz LOCSAVNGJFSCOT-HNNXBMFYSA-N 2 2 294.399 0.614 20 0 CCADLP CCCC[N@H+]1CC[C@](O)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001421396003 926724584 /nfs/dbraw/zinc/72/45/84/926724584.db2.gz LOCSAVNGJFSCOT-HNNXBMFYSA-N 2 2 294.399 0.614 20 0 CCADLP COC[C@H](C)[NH2+]C[C@@](C)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001421580628 926803966 /nfs/dbraw/zinc/80/39/66/926803966.db2.gz ZRWYXAXEJVJFFT-XHDPSFHLSA-N 2 2 294.399 0.862 20 0 CCADLP C[C@@H](O)C[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CCCC1 ZINC001421846952 926946151 /nfs/dbraw/zinc/94/61/51/926946151.db2.gz XGZKHJKXUDQBTA-GFCCVEGCSA-N 2 2 294.399 0.362 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CC[C@H](C)F ZINC001480573166 926950996 /nfs/dbraw/zinc/95/09/96/926950996.db2.gz ZJIKUXIFHPODDW-WDEREUQCSA-N 2 2 270.352 0.805 20 0 CCADLP COCC[N@@H+](C)CCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001422204681 927142824 /nfs/dbraw/zinc/14/28/24/927142824.db2.gz FTGLFDQEHFQCEF-CYBMUJFWSA-N 2 2 282.388 0.871 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@H](c2cnccn2)C1)C1CC1 ZINC001422327656 927222008 /nfs/dbraw/zinc/22/20/08/927222008.db2.gz SJXLNMSBAXYBMZ-TZMCWYRMSA-N 2 2 276.384 0.721 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@H](c2cnccn2)C1)C1CC1 ZINC001422327656 927222020 /nfs/dbraw/zinc/22/20/20/927222020.db2.gz SJXLNMSBAXYBMZ-TZMCWYRMSA-N 2 2 276.384 0.721 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@H](c2cnccn2)C1)C1CC1 ZINC001422327656 927222032 /nfs/dbraw/zinc/22/20/32/927222032.db2.gz SJXLNMSBAXYBMZ-TZMCWYRMSA-N 2 2 276.384 0.721 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@H](c2cnccn2)C1)C1CC1 ZINC001422327656 927222040 /nfs/dbraw/zinc/22/20/40/927222040.db2.gz SJXLNMSBAXYBMZ-TZMCWYRMSA-N 2 2 276.384 0.721 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[NH2+]C[C@@H](C)O)c[nH+]1 ZINC001422508649 927336301 /nfs/dbraw/zinc/33/63/01/927336301.db2.gz UVKWCMCBJKKOOP-ZYHUDNBSSA-N 2 2 282.388 0.402 20 0 CCADLP C[C@H](C[NH2+]Cc1nncs1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001422514634 927341795 /nfs/dbraw/zinc/34/17/95/927341795.db2.gz KQCNFYIJIJGBHH-GHMZBOCLSA-N 2 2 297.428 0.617 20 0 CCADLP C[C@H](C[NH2+]Cc1nncs1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001422514634 927341813 /nfs/dbraw/zinc/34/18/13/927341813.db2.gz KQCNFYIJIJGBHH-GHMZBOCLSA-N 2 2 297.428 0.617 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CC3(O)CCC3)C2)CC1 ZINC001361951924 927473113 /nfs/dbraw/zinc/47/31/13/927473113.db2.gz XLWUVYSNQWHUAC-ZDUSSCGKSA-N 2 2 295.427 0.576 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CC3(O)CCC3)C2)CC1 ZINC001361951924 927473116 /nfs/dbraw/zinc/47/31/16/927473116.db2.gz XLWUVYSNQWHUAC-ZDUSSCGKSA-N 2 2 295.427 0.576 20 0 CCADLP CC(C)(C)CC[NH2+][C@@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC001423256790 927771163 /nfs/dbraw/zinc/77/11/63/927771163.db2.gz ZDLROHJUVLNOSC-CYBMUJFWSA-N 2 2 296.415 0.776 20 0 CCADLP CC(C)OCC[NH+]1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001423436355 927857113 /nfs/dbraw/zinc/85/71/13/927857113.db2.gz NVBFSGHTTLYOOC-UHFFFAOYSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)c2ccc(C[NH+](C)C)o2)CC1 ZINC001362364388 927926086 /nfs/dbraw/zinc/92/60/86/927926086.db2.gz DOMBOOBNCFNEJB-LBPRGKRZSA-N 2 2 295.383 0.480 20 0 CCADLP CCn1nncc1C[N@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001425006465 928397545 /nfs/dbraw/zinc/39/75/45/928397545.db2.gz GONBTRSRPIZHHP-GFCCVEGCSA-N 2 2 296.419 0.186 20 0 CCADLP CCn1nncc1C[N@@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001425006465 928397553 /nfs/dbraw/zinc/39/75/53/928397553.db2.gz GONBTRSRPIZHHP-GFCCVEGCSA-N 2 2 296.419 0.186 20 0 CCADLP COC[C@H](C)[NH+]1CC([C@@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001425247526 928478547 /nfs/dbraw/zinc/47/85/47/928478547.db2.gz VUMHYNDFWNATAV-QWHCGFSZSA-N 2 2 294.399 0.745 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H](CO)[NH2+]CC1CCCC1 ZINC001425842777 928685545 /nfs/dbraw/zinc/68/55/45/928685545.db2.gz ADCYQUUFZMVKOT-CYBMUJFWSA-N 2 2 280.372 0.140 20 0 CCADLP C[C@@H]1[C@H](NC(=O)CCc2[nH+]ccn2C)CCC[N@@H+]1CCO ZINC001425926759 928707782 /nfs/dbraw/zinc/70/77/82/928707782.db2.gz IPDDODYKXXSKAK-CHWSQXEVSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@@H]1[C@H](NC(=O)CCc2[nH+]ccn2C)CCC[N@H+]1CCO ZINC001425926759 928707792 /nfs/dbraw/zinc/70/77/92/928707792.db2.gz IPDDODYKXXSKAK-CHWSQXEVSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCc2coc(C[NH+](C)C)n2)CC[N@@H+]1C ZINC001362991104 928735457 /nfs/dbraw/zinc/73/54/57/928735457.db2.gz SVTZQRFJJDOKON-ZYHUDNBSSA-N 2 2 280.372 0.693 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCc2coc(C[NH+](C)C)n2)CC[N@H+]1C ZINC001362991104 928735466 /nfs/dbraw/zinc/73/54/66/928735466.db2.gz SVTZQRFJJDOKON-ZYHUDNBSSA-N 2 2 280.372 0.693 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001363348304 929138182 /nfs/dbraw/zinc/13/81/82/929138182.db2.gz WWSAVESMGPINQC-CYBMUJFWSA-N 2 2 292.383 0.712 20 0 CCADLP C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001363712508 929512042 /nfs/dbraw/zinc/51/20/42/929512042.db2.gz TXRWHRBQMFCIOH-SWLSCSKDSA-N 2 2 294.399 0.264 20 0 CCADLP Cc1nocc1C[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001443647631 929666737 /nfs/dbraw/zinc/66/67/37/929666737.db2.gz DSSHQXKNMWHRJV-UHFFFAOYSA-N 2 2 292.383 0.627 20 0 CCADLP CO[C@@H](C)C[N@H+](C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001372032237 929710524 /nfs/dbraw/zinc/71/05/24/929710524.db2.gz RKANPNDMZNPMLZ-QWHCGFSZSA-N 2 2 294.399 0.528 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001372032237 929710533 /nfs/dbraw/zinc/71/05/33/929710533.db2.gz RKANPNDMZNPMLZ-QWHCGFSZSA-N 2 2 294.399 0.528 20 0 CCADLP CCN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1CC[N@H+](CCOC)C1 ZINC001443860838 929723123 /nfs/dbraw/zinc/72/31/23/929723123.db2.gz HIXQMTRJSAHNGQ-CQSZACIVSA-N 2 2 294.399 0.912 20 0 CCADLP CCN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1CC[N@@H+](CCOC)C1 ZINC001443860838 929723128 /nfs/dbraw/zinc/72/31/28/929723128.db2.gz HIXQMTRJSAHNGQ-CQSZACIVSA-N 2 2 294.399 0.912 20 0 CCADLP CCN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CCOC)C1 ZINC001443860838 929723133 /nfs/dbraw/zinc/72/31/33/929723133.db2.gz HIXQMTRJSAHNGQ-CQSZACIVSA-N 2 2 294.399 0.912 20 0 CCADLP CCN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CCOC)C1 ZINC001443860838 929723140 /nfs/dbraw/zinc/72/31/40/929723140.db2.gz HIXQMTRJSAHNGQ-CQSZACIVSA-N 2 2 294.399 0.912 20 0 CCADLP CC[C@@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)[NH2+]C[C@H](C)O ZINC001443935548 929745233 /nfs/dbraw/zinc/74/52/33/929745233.db2.gz CVECXEQJVYRUCK-STQMWFEESA-N 2 2 296.415 0.792 20 0 CCADLP C[C@H](O)C[NH2+]CC1(NC(=O)Cn2cc[nH+]c2)CCCC1 ZINC001444087470 929787278 /nfs/dbraw/zinc/78/72/78/929787278.db2.gz HYPSHTNTAVTXGB-LBPRGKRZSA-N 2 2 280.372 0.283 20 0 CCADLP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1CC)CC(=O)NC ZINC001372479666 929845348 /nfs/dbraw/zinc/84/53/48/929845348.db2.gz GGGICKPRLKXVLO-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1CC)CC(=O)NC ZINC001372479666 929845355 /nfs/dbraw/zinc/84/53/55/929845355.db2.gz GGGICKPRLKXVLO-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1CC)CC(=O)NC ZINC001372479666 929845360 /nfs/dbraw/zinc/84/53/60/929845360.db2.gz GGGICKPRLKXVLO-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1CC)CC(=O)NC ZINC001372479666 929845368 /nfs/dbraw/zinc/84/53/68/929845368.db2.gz GGGICKPRLKXVLO-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001373127442 930084048 /nfs/dbraw/zinc/08/40/48/930084048.db2.gz PTVXMTFHWGMSIG-OLZOCXBDSA-N 2 2 298.431 0.125 20 0 CCADLP CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001373127442 930084053 /nfs/dbraw/zinc/08/40/53/930084053.db2.gz PTVXMTFHWGMSIG-OLZOCXBDSA-N 2 2 298.431 0.125 20 0 CCADLP Cc1noc(C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C2CCC2)n1 ZINC001445558731 930171451 /nfs/dbraw/zinc/17/14/51/930171451.db2.gz YYONJZLBVSWBCB-JTQLQIEISA-N 2 2 295.387 0.457 20 0 CCADLP Cc1noc(C[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)C2CCC2)n1 ZINC001445558731 930171460 /nfs/dbraw/zinc/17/14/60/930171460.db2.gz YYONJZLBVSWBCB-JTQLQIEISA-N 2 2 295.387 0.457 20 0 CCADLP C[C@H](O)CCC[NH+]1CC(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001373435814 930191547 /nfs/dbraw/zinc/19/15/47/930191547.db2.gz ARBLNDWARRCASS-LBPRGKRZSA-N 2 2 283.416 0.432 20 0 CCADLP C[C@H](O)CCC[NH+]1CC(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001373435814 930191552 /nfs/dbraw/zinc/19/15/52/930191552.db2.gz ARBLNDWARRCASS-LBPRGKRZSA-N 2 2 283.416 0.432 20 0 CCADLP C[C@@H](C[N@H+](C)Cc1ccn(C)n1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001445691356 930212296 /nfs/dbraw/zinc/21/22/96/930212296.db2.gz UJLZNWFZUKCYET-JSGCOSHPSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@@H](C[N@@H+](C)Cc1ccn(C)n1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001445691356 930212305 /nfs/dbraw/zinc/21/23/05/930212305.db2.gz UJLZNWFZUKCYET-JSGCOSHPSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@@H](C[NH+](C)Cc1ccn(C)n1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001445691356 930212314 /nfs/dbraw/zinc/21/23/14/930212314.db2.gz UJLZNWFZUKCYET-JSGCOSHPSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@@H](C[NH+](C)Cc1ccn(C)n1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001445691356 930212321 /nfs/dbraw/zinc/21/23/21/930212321.db2.gz UJLZNWFZUKCYET-JSGCOSHPSA-N 2 2 293.415 0.451 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC1C[NH+](C[C@H]2CCOC2)C1 ZINC001373539903 930236981 /nfs/dbraw/zinc/23/69/81/930236981.db2.gz YTOOTZQKVBGMRD-LLVKDONJSA-N 2 2 278.356 0.037 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@@H](NC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001445997666 930301533 /nfs/dbraw/zinc/30/15/33/930301533.db2.gz ZAEQGGGOZOPOEZ-SMDDNHRTSA-N 2 2 294.399 0.482 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@@H+]1CC[C@H]1CCCO1 ZINC001446113976 930336711 /nfs/dbraw/zinc/33/67/11/930336711.db2.gz BIZSDIQEPUGMLN-ZIAGYGMSSA-N 2 2 292.383 0.643 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@H+]1CC[C@H]1CCCO1 ZINC001446113976 930336719 /nfs/dbraw/zinc/33/67/19/930336719.db2.gz BIZSDIQEPUGMLN-ZIAGYGMSSA-N 2 2 292.383 0.643 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CC[N@H+]1C[C@H](C)O ZINC001446110896 930336931 /nfs/dbraw/zinc/33/69/31/930336931.db2.gz VWBHHWPZWPSJBK-QWHCGFSZSA-N 2 2 294.399 0.578 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CC[N@@H+]1C[C@H](C)O ZINC001446110896 930336939 /nfs/dbraw/zinc/33/69/39/930336939.db2.gz VWBHHWPZWPSJBK-QWHCGFSZSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@](C)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001373894890 930365814 /nfs/dbraw/zinc/36/58/14/930365814.db2.gz MHLRBYWZVWSCEE-QMTHXVAHSA-N 2 2 280.372 0.208 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]Cc1ccccn1 ZINC001374070961 930416503 /nfs/dbraw/zinc/41/65/03/930416503.db2.gz BFCJBJGSVTUGIP-GFCCVEGCSA-N 2 2 287.367 0.889 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CCO)C1 ZINC001374391482 930497173 /nfs/dbraw/zinc/49/71/73/930497173.db2.gz JEKHQVVUOWQNHA-WCQYABFASA-N 2 2 294.399 0.470 20 0 CCADLP CC(C)[NH2+]CCN(CCO)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001447060934 930557903 /nfs/dbraw/zinc/55/79/03/930557903.db2.gz SMSNMQDCBOQBJT-ZDUSSCGKSA-N 2 2 294.399 0.264 20 0 CCADLP Cc1noc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001374873669 930705302 /nfs/dbraw/zinc/70/53/02/930705302.db2.gz RJKPGXJUTRLIMM-GXSJLCMTSA-N 2 2 281.360 0.067 20 0 CCADLP Cc1noc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001374873669 930705306 /nfs/dbraw/zinc/70/53/06/930705306.db2.gz RJKPGXJUTRLIMM-GXSJLCMTSA-N 2 2 281.360 0.067 20 0 CCADLP C[C@@H](O)C[NH+]1CC([C@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001448304164 930870863 /nfs/dbraw/zinc/87/08/63/930870863.db2.gz LMADFLIVVKDRRZ-MNOVXSKESA-N 2 2 280.372 0.160 20 0 CCADLP C[C@@H](O)C[NH+]1CC([C@H](C)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001448304164 930870865 /nfs/dbraw/zinc/87/08/65/930870865.db2.gz LMADFLIVVKDRRZ-MNOVXSKESA-N 2 2 280.372 0.160 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001448517769 930909162 /nfs/dbraw/zinc/90/91/62/930909162.db2.gz HXQWPLJUTARRJC-SRVKXCTJSA-N 2 2 280.372 0.472 20 0 CCADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]C[C@H]1CCCCO1 ZINC001448733615 930961496 /nfs/dbraw/zinc/96/14/96/930961496.db2.gz NWCZRLIKYPEZAD-GXTWGEPZSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H](C)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001448781714 930979236 /nfs/dbraw/zinc/97/92/36/930979236.db2.gz ICEPNVLKVGUXHT-MNOVXSKESA-N 2 2 282.388 0.732 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ncccn2)C1 ZINC001376354235 931129449 /nfs/dbraw/zinc/12/94/49/931129449.db2.gz XLVIDYQVLMJKBH-ZDUSSCGKSA-N 2 2 291.399 0.507 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ncccn2)C1 ZINC001376354235 931129453 /nfs/dbraw/zinc/12/94/53/931129453.db2.gz XLVIDYQVLMJKBH-ZDUSSCGKSA-N 2 2 291.399 0.507 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001376513813 931170885 /nfs/dbraw/zinc/17/08/85/931170885.db2.gz WCWQIBMJVKFNMT-CHWSQXEVSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](O)C[N@H+]1CCC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001376513813 931170890 /nfs/dbraw/zinc/17/08/90/931170890.db2.gz WCWQIBMJVKFNMT-CHWSQXEVSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001376513813 931170895 /nfs/dbraw/zinc/17/08/95/931170895.db2.gz WCWQIBMJVKFNMT-CHWSQXEVSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](O)C[N@H+]1CCC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001376513813 931170899 /nfs/dbraw/zinc/17/08/99/931170899.db2.gz WCWQIBMJVKFNMT-CHWSQXEVSA-N 2 2 294.399 0.551 20 0 CCADLP CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1nncs1)[NH+](C)C ZINC001376812472 931285670 /nfs/dbraw/zinc/28/56/70/931285670.db2.gz PHUDYBKFRHOREI-UWVGGRQHSA-N 2 2 285.417 0.473 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1cnns1 ZINC001376853853 931304528 /nfs/dbraw/zinc/30/45/28/931304528.db2.gz IOJFXQUAPMOQPZ-SECBINFHSA-N 2 2 294.384 0.109 20 0 CCADLP CCN1CC[NH+]([C@H]2CCN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001376865517 931307651 /nfs/dbraw/zinc/30/76/51/931307651.db2.gz KIVWDUWRCYGUOV-HNNXBMFYSA-N 2 2 296.459 0.567 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cncs1 ZINC001376886533 931314145 /nfs/dbraw/zinc/31/41/45/931314145.db2.gz PFRQKPWPAVBIHZ-SNVBAGLBSA-N 2 2 279.369 0.634 20 0 CCADLP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cnsn1 ZINC001376889502 931314266 /nfs/dbraw/zinc/31/42/66/931314266.db2.gz ZHKIQPFJLYYOME-JTQLQIEISA-N 2 2 283.401 0.228 20 0 CCADLP C[NH+]1CCC([NH2+]C2CC[NH+](CC(=O)[O-])CC2)CC1 ZINC001588870146 962047266 /nfs/dbraw/zinc/04/72/66/962047266.db2.gz FFZDKDCHNALYBM-UHFFFAOYSA-N 2 2 255.362 0.219 20 0 CCADLP CC(C)[C@H](CNC(=O)NCC[NH+]1CCC1)[NH+]1CCOCC1 ZINC000337389419 214046375 /nfs/dbraw/zinc/04/63/75/214046375.db2.gz JVLDOASKSNRXRV-AWEZNQCLSA-N 2 2 298.431 0.348 20 0 CCADLP Cc1[nH+]ccn1CCCN1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000337409257 214061841 /nfs/dbraw/zinc/06/18/41/214061841.db2.gz KPUNDYGCLOEWQI-KBPBESRZSA-N 2 2 280.416 0.969 20 0 CCADLP Cc1[nH+]ccn1CCCN1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000337409257 214061844 /nfs/dbraw/zinc/06/18/44/214061844.db2.gz KPUNDYGCLOEWQI-KBPBESRZSA-N 2 2 280.416 0.969 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CCN(C[C@H](C)O)C[C@@H]1C ZINC000337409257 214061848 /nfs/dbraw/zinc/06/18/48/214061848.db2.gz KPUNDYGCLOEWQI-KBPBESRZSA-N 2 2 280.416 0.969 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCN(C[C@H](C)O)C[C@@H]1C ZINC000337409257 214061850 /nfs/dbraw/zinc/06/18/50/214061850.db2.gz KPUNDYGCLOEWQI-KBPBESRZSA-N 2 2 280.416 0.969 20 0 CCADLP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)NCCF)CC1 ZINC000337414805 214067099 /nfs/dbraw/zinc/06/70/99/214067099.db2.gz YWAJLSROTIDZIF-NSHDSACASA-N 2 2 275.368 0.161 20 0 CCADLP CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000093175130 349529906 /nfs/dbraw/zinc/52/99/06/349529906.db2.gz JCQCGDHDNYSNQO-UONOGXRCSA-N 2 2 283.416 0.386 20 0 CCADLP CC[C@@H](O)[C@@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000093175130 349529909 /nfs/dbraw/zinc/52/99/09/349529909.db2.gz JCQCGDHDNYSNQO-UONOGXRCSA-N 2 2 283.416 0.386 20 0 CCADLP COC(=O)CC1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000093159742 349528710 /nfs/dbraw/zinc/52/87/10/349528710.db2.gz CAHQEWRBKTVMAT-UHFFFAOYSA-N 2 2 297.399 0.036 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000617345041 365612975 /nfs/dbraw/zinc/61/29/75/365612975.db2.gz VYXQQXXRBOQSMV-LLVKDONJSA-N 2 2 264.373 0.952 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000617345041 365612978 /nfs/dbraw/zinc/61/29/78/365612978.db2.gz VYXQQXXRBOQSMV-LLVKDONJSA-N 2 2 264.373 0.952 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccncc2)CC1 ZINC000093222540 349532310 /nfs/dbraw/zinc/53/23/10/349532310.db2.gz QYBZMIHITTXPOK-HNNXBMFYSA-N 2 2 288.395 0.993 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2c2ccncc2)CC1 ZINC000093222540 349532316 /nfs/dbraw/zinc/53/23/16/349532316.db2.gz QYBZMIHITTXPOK-HNNXBMFYSA-N 2 2 288.395 0.993 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000082802902 178302418 /nfs/dbraw/zinc/30/24/18/178302418.db2.gz CALZYCXRFAGHLD-ZDUSSCGKSA-N 2 2 270.336 0.923 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000337604038 214178108 /nfs/dbraw/zinc/17/81/08/214178108.db2.gz UJJRZZHDFKCAHC-KBPBESRZSA-N 2 2 274.368 0.649 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000337604038 214178109 /nfs/dbraw/zinc/17/81/09/214178109.db2.gz UJJRZZHDFKCAHC-KBPBESRZSA-N 2 2 274.368 0.649 20 0 CCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335497331 212175457 /nfs/dbraw/zinc/17/54/57/212175457.db2.gz PSGZYGWQVQUGOI-JSGCOSHPSA-N 2 2 276.384 0.998 20 0 CCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335497331 212175459 /nfs/dbraw/zinc/17/54/59/212175459.db2.gz PSGZYGWQVQUGOI-JSGCOSHPSA-N 2 2 276.384 0.998 20 0 CCADLP CC(=O)[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C[NH3+])C(C)C ZINC000093874368 349555172 /nfs/dbraw/zinc/55/51/72/349555172.db2.gz AMGARWRKVCIWKO-ZDUSSCGKSA-N 2 2 271.405 0.633 20 0 CCADLP CC(=O)[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C[NH3+])C(C)C ZINC000093874368 349555174 /nfs/dbraw/zinc/55/51/74/349555174.db2.gz AMGARWRKVCIWKO-ZDUSSCGKSA-N 2 2 271.405 0.633 20 0 CCADLP CN(CC(=O)N1CC[NH2+]CC1)c1cc[nH+]cc1Cl ZINC000094272619 349565622 /nfs/dbraw/zinc/56/56/22/349565622.db2.gz ONDCHRBCRZAFLJ-UHFFFAOYSA-N 2 2 268.748 0.603 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)on1 ZINC000125274720 187177409 /nfs/dbraw/zinc/17/74/09/187177409.db2.gz UGILZSZKFKSAIT-TUAOUCFPSA-N 2 2 278.356 0.981 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)on1 ZINC000125274720 187177410 /nfs/dbraw/zinc/17/74/10/187177410.db2.gz UGILZSZKFKSAIT-TUAOUCFPSA-N 2 2 278.356 0.981 20 0 CCADLP C[NH+](C)C[C@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000333356853 282138874 /nfs/dbraw/zinc/13/88/74/282138874.db2.gz WUBSUGDDHYDBRH-STQMWFEESA-N 2 2 292.383 0.235 20 0 CCADLP CC[C@]1(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CCC[NH2+]1 ZINC000423766149 529387033 /nfs/dbraw/zinc/38/70/33/529387033.db2.gz XUFWUQPZQYUIEU-DZGCQCFKSA-N 2 2 281.400 0.498 20 0 CCADLP CC[C@]1(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CCC[NH2+]1 ZINC000423766149 529387035 /nfs/dbraw/zinc/38/70/35/529387035.db2.gz XUFWUQPZQYUIEU-DZGCQCFKSA-N 2 2 281.400 0.498 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449660426 529417118 /nfs/dbraw/zinc/41/71/18/529417118.db2.gz XTLWAWHNWPUTBM-UTLUCORTSA-N 2 2 263.332 0.721 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)NCCC[NH+](C)C ZINC000492315276 529559043 /nfs/dbraw/zinc/55/90/43/529559043.db2.gz APKFGZNUPKYJPE-SREVYHEPSA-N 2 2 250.346 0.984 20 0 CCADLP CCn1cc[nH+]c1CN(CC[NH3+])[C@@H]1CC12CC[NH2+]CC2 ZINC000435696118 529567660 /nfs/dbraw/zinc/56/76/60/529567660.db2.gz UAJZTCZGGKHHJD-CYBMUJFWSA-N 3 2 277.416 0.806 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cnn(C)c3)C2)CC1 ZINC000107370796 349736957 /nfs/dbraw/zinc/73/69/57/349736957.db2.gz QQNAEQYWUWXVJE-HNNXBMFYSA-N 2 2 277.416 0.632 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnn(C)c3)C2)CC1 ZINC000107370796 349736964 /nfs/dbraw/zinc/73/69/64/349736964.db2.gz QQNAEQYWUWXVJE-HNNXBMFYSA-N 2 2 277.416 0.632 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)COC1CC[NH2+]CC1 ZINC000111757665 349776287 /nfs/dbraw/zinc/77/62/87/349776287.db2.gz BTDBRXWMYDGZCA-NSHDSACASA-N 2 2 266.345 0.156 20 0 CCADLP Cn1ncc2c1nc[nH+]c2NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000112090838 349778072 /nfs/dbraw/zinc/77/80/72/349778072.db2.gz USACENIAPXADQX-GHMZBOCLSA-N 2 2 288.355 0.638 20 0 CCADLP Cn1ncc2c1nc[nH+]c2NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000112090838 349778074 /nfs/dbraw/zinc/77/80/74/349778074.db2.gz USACENIAPXADQX-GHMZBOCLSA-N 2 2 288.355 0.638 20 0 CCADLP CCn1c[nH+]cc1C[NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)OC ZINC000601145021 362158755 /nfs/dbraw/zinc/15/87/55/362158755.db2.gz HERRLSLPROIMQR-UWVGGRQHSA-N 2 2 282.344 0.059 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000113438450 349811529 /nfs/dbraw/zinc/81/15/29/349811529.db2.gz OFRQLVAKMGIJHL-LBPRGKRZSA-N 2 2 277.372 0.148 20 0 CCADLP C[C@@H](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH+](C)C ZINC000617755693 365759186 /nfs/dbraw/zinc/75/91/86/365759186.db2.gz SQAMTVPBPUQNHS-NWDGAFQWSA-N 2 2 264.373 0.902 20 0 CCADLP C[C@H](CCNC(=O)[C@@H](c1c[nH+]cn1C)N(C)C)[NH+](C)C ZINC000617757849 365760276 /nfs/dbraw/zinc/76/02/76/365760276.db2.gz CCCHIPUFYCUETJ-DGCLKSJQSA-N 2 2 281.404 0.479 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617762628 365764755 /nfs/dbraw/zinc/76/47/55/365764755.db2.gz UPRMNFZMCUWXPY-UHFFFAOYSA-N 3 2 281.404 0.191 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617762628 365764762 /nfs/dbraw/zinc/76/47/62/365764762.db2.gz UPRMNFZMCUWXPY-UHFFFAOYSA-N 3 2 281.404 0.191 20 0 CCADLP C[C@@H]1C[C@@H](C)[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)O1 ZINC000617764163 365766346 /nfs/dbraw/zinc/76/63/46/365766346.db2.gz LGHKTKGESWGGGM-MGPQQGTHSA-N 2 2 285.432 0.800 20 0 CCADLP C[C@@H]1C[C@@H](C)[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)O1 ZINC000617764163 365766351 /nfs/dbraw/zinc/76/63/51/365766351.db2.gz LGHKTKGESWGGGM-MGPQQGTHSA-N 2 2 285.432 0.800 20 0 CCADLP COc1cnc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)nc1 ZINC000617763262 365766557 /nfs/dbraw/zinc/76/65/57/365766557.db2.gz KWCCBJXWVXYBDE-UHFFFAOYSA-N 2 2 295.387 0.099 20 0 CCADLP COc1cnc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)nc1 ZINC000617763262 365766562 /nfs/dbraw/zinc/76/65/62/365766562.db2.gz KWCCBJXWVXYBDE-UHFFFAOYSA-N 2 2 295.387 0.099 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1ccoc1 ZINC000617764898 365768460 /nfs/dbraw/zinc/76/84/60/365768460.db2.gz KWTYDVMFTXWCFD-UHFFFAOYSA-N 2 2 267.373 0.822 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1ccoc1 ZINC000617764898 365768465 /nfs/dbraw/zinc/76/84/65/365768465.db2.gz KWTYDVMFTXWCFD-UHFFFAOYSA-N 2 2 267.373 0.822 20 0 CCADLP Cc1cnc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(O)c1 ZINC000617764912 365769383 /nfs/dbraw/zinc/76/93/83/365769383.db2.gz LNCSTZASEFXUBP-UHFFFAOYSA-N 2 2 294.399 0.709 20 0 CCADLP Cc1cnc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c(O)c1 ZINC000617764912 365769388 /nfs/dbraw/zinc/76/93/88/365769388.db2.gz LNCSTZASEFXUBP-UHFFFAOYSA-N 2 2 294.399 0.709 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)COC1CCCC1 ZINC000617767271 365774344 /nfs/dbraw/zinc/77/43/44/365774344.db2.gz NCGAQKZLRWJGPT-UHFFFAOYSA-N 2 2 285.432 0.945 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)COC1CCCC1 ZINC000617767271 365774349 /nfs/dbraw/zinc/77/43/49/365774349.db2.gz NCGAQKZLRWJGPT-UHFFFAOYSA-N 2 2 285.432 0.945 20 0 CCADLP CCn1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cn1 ZINC000617766259 365770883 /nfs/dbraw/zinc/77/08/83/365770883.db2.gz CZQFUUCJULFUSN-UHFFFAOYSA-N 2 2 281.404 0.516 20 0 CCADLP CCn1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000617766259 365770888 /nfs/dbraw/zinc/77/08/88/365770888.db2.gz CZQFUUCJULFUSN-UHFFFAOYSA-N 2 2 281.404 0.516 20 0 CCADLP CN(C)c1ccc(CNC(=O)C[C@H]2CC[NH2+]C2)c[nH+]1 ZINC000427265070 529781223 /nfs/dbraw/zinc/78/12/23/529781223.db2.gz LLBZQUZBOSAVCA-LLVKDONJSA-N 2 2 262.357 0.763 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2C[C@H](O)C3(CC3)C2)n1C ZINC000425344409 529808399 /nfs/dbraw/zinc/80/83/99/529808399.db2.gz SXENVQVSHDFTDZ-NSHDSACASA-N 2 2 250.346 0.443 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2C[C@H](O)C3(CC3)C2)n1C ZINC000425344409 529808400 /nfs/dbraw/zinc/80/84/00/529808400.db2.gz SXENVQVSHDFTDZ-NSHDSACASA-N 2 2 250.346 0.443 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC000358162074 529809595 /nfs/dbraw/zinc/80/95/95/529809595.db2.gz LEPCSHOBWMWZRZ-AWEZNQCLSA-N 2 2 266.389 0.794 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC000358162074 529809597 /nfs/dbraw/zinc/80/95/97/529809597.db2.gz LEPCSHOBWMWZRZ-AWEZNQCLSA-N 2 2 266.389 0.794 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)n1C ZINC000425391649 529810517 /nfs/dbraw/zinc/81/05/17/529810517.db2.gz ZYPQKCCDGZVUQJ-OCCSQVGLSA-N 2 2 291.399 0.633 20 0 CCADLP COC(=O)CCC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000116401857 349870067 /nfs/dbraw/zinc/87/00/67/349870067.db2.gz HSWNJQIJOCINBW-AWEZNQCLSA-N 2 2 284.400 0.984 20 0 CCADLP COC(=O)CCC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000116401857 349870068 /nfs/dbraw/zinc/87/00/68/349870068.db2.gz HSWNJQIJOCINBW-AWEZNQCLSA-N 2 2 284.400 0.984 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000423735811 529911406 /nfs/dbraw/zinc/91/14/06/529911406.db2.gz BEOCGEUBHDFHBX-UKRRQHHQSA-N 2 2 283.416 0.685 20 0 CCADLP [NH3+][C@H]1CCC[C@H]1CC(=O)NCCCn1cc[nH+]c1 ZINC000340110974 232032770 /nfs/dbraw/zinc/03/27/70/232032770.db2.gz BGXQWKWTYVUHAU-RYUDHWBXSA-N 2 2 250.346 0.907 20 0 CCADLP COCCOc1ccccc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358169589 232056681 /nfs/dbraw/zinc/05/66/81/232056681.db2.gz 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CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000602330855 362589559 /nfs/dbraw/zinc/58/95/59/362589559.db2.gz WIMFXFKEAIBPFE-AWEZNQCLSA-N 3 2 296.459 0.613 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602330855 362589563 /nfs/dbraw/zinc/58/95/63/362589563.db2.gz WIMFXFKEAIBPFE-AWEZNQCLSA-N 3 2 296.459 0.613 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602330855 362589568 /nfs/dbraw/zinc/58/95/68/362589568.db2.gz WIMFXFKEAIBPFE-AWEZNQCLSA-N 3 2 296.459 0.613 20 0 CCADLP CCN(C#N)CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000602779189 362796455 /nfs/dbraw/zinc/79/64/55/362796455.db2.gz FOZSYZAGOJWJKB-AWEZNQCLSA-N 2 2 266.389 0.443 20 0 CCADLP CCN(C#N)CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000602779189 362796457 /nfs/dbraw/zinc/79/64/57/362796457.db2.gz FOZSYZAGOJWJKB-AWEZNQCLSA-N 2 2 266.389 0.443 20 0 CCADLP C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1CCc1c[nH+]cn1C ZINC000602781542 362797819 /nfs/dbraw/zinc/79/78/19/362797819.db2.gz SSJKLNPSYYSQIV-CZIZLABSSA-N 2 2 255.387 0.804 20 0 CCADLP C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1CCc1c[nH+]cn1C ZINC000602781542 362797821 /nfs/dbraw/zinc/79/78/21/362797821.db2.gz SSJKLNPSYYSQIV-CZIZLABSSA-N 2 2 255.387 0.804 20 0 CCADLP C[C@@H]1[C@H](C)[S@](=O)CC[N@@H+]1CCc1c[nH+]cn1C ZINC000602781543 362797881 /nfs/dbraw/zinc/79/78/81/362797881.db2.gz SSJKLNPSYYSQIV-VGTOOOLASA-N 2 2 255.387 0.804 20 0 CCADLP C[C@@H]1[C@H](C)[S@](=O)CC[N@H+]1CCc1c[nH+]cn1C ZINC000602781543 362797884 /nfs/dbraw/zinc/79/78/84/362797884.db2.gz SSJKLNPSYYSQIV-VGTOOOLASA-N 2 2 255.387 0.804 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(CCc2c[nH+]cn2C)[C@@H](C)C1 ZINC000602805121 362811016 /nfs/dbraw/zinc/81/10/16/362811016.db2.gz MUGIIYOCSSEFPL-ZDUSSCGKSA-N 2 2 294.399 0.532 20 0 CCADLP COC(=O)CC[N@H+]1CCN(CCc2c[nH+]cn2C)[C@@H](C)C1 ZINC000602805121 362811019 /nfs/dbraw/zinc/81/10/19/362811019.db2.gz MUGIIYOCSSEFPL-ZDUSSCGKSA-N 2 2 294.399 0.532 20 0 CCADLP COC(=O)CCN1CC[N@H+](CCc2c[nH+]cn2C)[C@@H](C)C1 ZINC000602805121 362811024 /nfs/dbraw/zinc/81/10/24/362811024.db2.gz MUGIIYOCSSEFPL-ZDUSSCGKSA-N 2 2 294.399 0.532 20 0 CCADLP COC(=O)CCN1CC[N@@H+](CCc2c[nH+]cn2C)[C@@H](C)C1 ZINC000602805121 362811028 /nfs/dbraw/zinc/81/10/28/362811028.db2.gz MUGIIYOCSSEFPL-ZDUSSCGKSA-N 2 2 294.399 0.532 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)C(C)C ZINC000252858688 137004207 /nfs/dbraw/zinc/00/42/07/137004207.db2.gz MAEMYEWZQJHMKT-RZLSGREXSA-N 2 2 295.427 0.775 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)C(C)C ZINC000252858688 137004208 /nfs/dbraw/zinc/00/42/08/137004208.db2.gz MAEMYEWZQJHMKT-RZLSGREXSA-N 2 2 295.427 0.775 20 0 CCADLP COc1ccc(OC)c(C[N@H+](C)C[C@H](O)C[NH3+])c1 ZINC000258947806 137005515 /nfs/dbraw/zinc/00/55/15/137005515.db2.gz KGWSHPIQXMLXHQ-LLVKDONJSA-N 2 2 254.330 0.455 20 0 CCADLP COc1ccc(OC)c(C[N@@H+](C)C[C@H](O)C[NH3+])c1 ZINC000258947806 137005516 /nfs/dbraw/zinc/00/55/16/137005516.db2.gz KGWSHPIQXMLXHQ-LLVKDONJSA-N 2 2 254.330 0.455 20 0 CCADLP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261554387 137008047 /nfs/dbraw/zinc/00/80/47/137008047.db2.gz AWAAJXGBRWNXMP-CQSZACIVSA-N 2 2 253.390 0.977 20 0 CCADLP CCC(C)(C)NC(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261554387 137008048 /nfs/dbraw/zinc/00/80/48/137008048.db2.gz AWAAJXGBRWNXMP-CQSZACIVSA-N 2 2 253.390 0.977 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)C1 ZINC000261593530 137011333 /nfs/dbraw/zinc/01/13/33/137011333.db2.gz ZGGQGMVYTZFKPL-TZMCWYRMSA-N 2 2 253.390 0.916 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@](C)(C[NH3+])C2)C1 ZINC000261593530 137011334 /nfs/dbraw/zinc/01/13/34/137011334.db2.gz ZGGQGMVYTZFKPL-TZMCWYRMSA-N 2 2 253.390 0.916 20 0 CCADLP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@H](C)[NH+]2CCOCC2)cc1 ZINC000262665076 137049648 /nfs/dbraw/zinc/04/96/48/137049648.db2.gz PEDUDSJTIICQPG-DZGCQCFKSA-N 2 2 291.395 0.832 20 0 CCADLP [NH3+]CCN1CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000262934916 137055627 /nfs/dbraw/zinc/05/56/27/137055627.db2.gz IGCVKFAHWLHRRF-HNNXBMFYSA-N 2 2 288.395 0.368 20 0 CCADLP CO[C@@H](C)c1noc(C[N@@H+]2CCCN(CC[NH3+])CC2)n1 ZINC000263106865 137058555 /nfs/dbraw/zinc/05/85/55/137058555.db2.gz ZXPGLULFLNBMAX-NSHDSACASA-N 2 2 283.376 0.243 20 0 CCADLP CO[C@@H](C)c1noc(C[N@H+]2CCCN(CC[NH3+])CC2)n1 ZINC000263106865 137058556 /nfs/dbraw/zinc/05/85/56/137058556.db2.gz ZXPGLULFLNBMAX-NSHDSACASA-N 2 2 283.376 0.243 20 0 CCADLP CC1CCN(C(=O)C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000261770260 137018944 /nfs/dbraw/zinc/01/89/44/137018944.db2.gz VXUKZLNSRLOEJD-OAHLLOKOSA-N 2 2 294.443 0.224 20 0 CCADLP COc1coc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1=O ZINC000261777903 137019676 /nfs/dbraw/zinc/01/96/76/137019676.db2.gz SWFJVHRIJGNGPO-CYBMUJFWSA-N 2 2 252.314 0.819 20 0 CCADLP COc1coc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1=O ZINC000261777903 137019677 /nfs/dbraw/zinc/01/96/77/137019677.db2.gz SWFJVHRIJGNGPO-CYBMUJFWSA-N 2 2 252.314 0.819 20 0 CCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000262227025 137031861 /nfs/dbraw/zinc/03/18/61/137031861.db2.gz LMSWMSXEDUKHCT-GFCCVEGCSA-N 2 2 274.368 0.506 20 0 CCADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000262245409 137032834 /nfs/dbraw/zinc/03/28/34/137032834.db2.gz LFJHAOIBWOIZMW-RISCZKNCSA-N 2 2 292.383 0.255 20 0 CCADLP [NH3+]Cc1nc(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)no1 ZINC000262317704 137037483 /nfs/dbraw/zinc/03/74/83/137037483.db2.gz ZWTSWNJBZFYKGN-NSHDSACASA-N 2 2 293.371 0.267 20 0 CCADLP [NH3+]Cc1nc(C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)no1 ZINC000262317704 137037484 /nfs/dbraw/zinc/03/74/84/137037484.db2.gz ZWTSWNJBZFYKGN-NSHDSACASA-N 2 2 293.371 0.267 20 0 CCADLP O=C(C[C@@H]1COCC[NH2+]1)NCCc1cn2c([nH+]1)CCCC2 ZINC000262321787 137037695 /nfs/dbraw/zinc/03/76/95/137037695.db2.gz FJAHHYNJQGPRAW-CYBMUJFWSA-N 2 2 292.383 0.257 20 0 CCADLP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cnc([C@H]2CCCO2)s1 ZINC000263241458 137061366 /nfs/dbraw/zinc/06/13/66/137061366.db2.gz OREWIKMPCRYPNO-MVWJERBFSA-N 2 2 283.397 0.665 20 0 CCADLP O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)C1C[NH2+]C1 ZINC000263251449 137061741 /nfs/dbraw/zinc/06/17/41/137061741.db2.gz DYWCIWFTUUPAMR-OAHLLOKOSA-N 2 2 289.379 0.396 20 0 CCADLP COC[C@H]([NH3+])C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000263253814 137061816 /nfs/dbraw/zinc/06/18/16/137061816.db2.gz PUTVFMJHLJLIIW-AWEZNQCLSA-N 2 2 288.351 0.521 20 0 CCADLP C[C@H](CNCc1c[nH+]c(N(C)C)n1C)C[NH+](C)C ZINC000310723786 137072266 /nfs/dbraw/zinc/07/22/66/137072266.db2.gz BJBFRAMAPGGJNU-LLVKDONJSA-N 2 2 253.394 0.773 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000342946192 137105523 /nfs/dbraw/zinc/10/55/23/137105523.db2.gz KUKKBYJPEWXDDV-OLZOCXBDSA-N 2 2 264.373 0.929 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000342946192 137105524 /nfs/dbraw/zinc/10/55/24/137105524.db2.gz KUKKBYJPEWXDDV-OLZOCXBDSA-N 2 2 264.373 0.929 20 0 CCADLP C[C@H]1COCC[NH+]1CCOCC[N@H+]1CCOC[C@@H]1C ZINC000343585811 137143356 /nfs/dbraw/zinc/14/33/56/137143356.db2.gz DURSNTQUWDWZFU-KBPBESRZSA-N 2 2 272.389 0.444 20 0 CCADLP C[C@H]1COCC[NH+]1CCOCC[N@@H+]1CCOC[C@@H]1C ZINC000343585811 137143357 /nfs/dbraw/zinc/14/33/57/137143357.db2.gz DURSNTQUWDWZFU-KBPBESRZSA-N 2 2 272.389 0.444 20 0 CCADLP O=C(C[NH+]1CCCC1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000343643270 137146880 /nfs/dbraw/zinc/14/68/80/137146880.db2.gz NPWMJJAVWOGKGC-UHFFFAOYSA-N 2 2 288.395 0.822 20 0 CCADLP C[C@H]1CN(Cc2cn(C)nn2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000343723931 137152530 /nfs/dbraw/zinc/15/25/30/137152530.db2.gz XZGYJBHGKAGQPB-ZDUSSCGKSA-N 2 2 292.431 0.415 20 0 CCADLP C[C@H]1CN(Cc2cn(C)nn2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000343723931 137152531 /nfs/dbraw/zinc/15/25/31/137152531.db2.gz XZGYJBHGKAGQPB-ZDUSSCGKSA-N 2 2 292.431 0.415 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343786747 137157448 /nfs/dbraw/zinc/15/74/48/137157448.db2.gz IJNCJTIFUZNWDY-FGWVZKOKSA-N 2 2 289.335 0.843 20 0 CCADLP C[C@H](C[NH+](C)C)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000343797331 137157968 /nfs/dbraw/zinc/15/79/68/137157968.db2.gz UGEAFSORIAENOA-LLVKDONJSA-N 2 2 265.361 0.675 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cnc(C)[nH]c2=O)C1 ZINC000344329700 137188669 /nfs/dbraw/zinc/18/86/69/137188669.db2.gz NGHWXOOSRPKACT-SKDRFNHKSA-N 2 2 250.346 0.920 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cnc(C)[nH]c2=O)C1 ZINC000344329700 137188670 /nfs/dbraw/zinc/18/86/70/137188670.db2.gz NGHWXOOSRPKACT-SKDRFNHKSA-N 2 2 250.346 0.920 20 0 CCADLP C[C@@H]1C[C@H](C(=O)N(C)CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000344181736 137181841 /nfs/dbraw/zinc/18/18/41/137181841.db2.gz ZBISQPHSQMNSMI-ZIAGYGMSSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@@H]1C[C@H](C(=O)N(C)CC[NH+]2CCOCC2)CC[N@H+]1C ZINC000344181736 137181842 /nfs/dbraw/zinc/18/18/42/137181842.db2.gz ZBISQPHSQMNSMI-ZIAGYGMSSA-N 2 2 283.416 0.507 20 0 CCADLP CCN(CC)S(=O)(=O)CC[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000344228121 137184886 /nfs/dbraw/zinc/18/48/86/137184886.db2.gz WIQJSEDEJJOZGR-QWHCGFSZSA-N 2 2 291.461 0.588 20 0 CCADLP CCN(CC)S(=O)(=O)CC[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000344228121 137184887 /nfs/dbraw/zinc/18/48/87/137184887.db2.gz WIQJSEDEJJOZGR-QWHCGFSZSA-N 2 2 291.461 0.588 20 0 CCADLP CCN(CCC[NH+](C)C)C(=O)NCc1[nH+]ccn1C ZINC000344498617 137197754 /nfs/dbraw/zinc/19/77/54/137197754.db2.gz OGNGEDOATZGAHV-UHFFFAOYSA-N 2 2 267.377 0.903 20 0 CCADLP CC[NH+](CC)CCCCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000041573142 348256672 /nfs/dbraw/zinc/25/66/72/348256672.db2.gz CMVGZZQIOQLHDR-AWEZNQCLSA-N 2 2 285.432 0.945 20 0 CCADLP CC[NH+]1C[C@@H](C)N(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC000345916516 137259875 /nfs/dbraw/zinc/25/98/75/137259875.db2.gz JJPVWGIJUCRISS-MCIONIFRSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1C[C@@H](C)N(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC000345916516 137259876 /nfs/dbraw/zinc/25/98/76/137259876.db2.gz JJPVWGIJUCRISS-MCIONIFRSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H](C)[N@H+](CC)C[C@H]2C)C1 ZINC000345916516 137259877 /nfs/dbraw/zinc/25/98/77/137259877.db2.gz JJPVWGIJUCRISS-MCIONIFRSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)C1 ZINC000345916516 137259878 /nfs/dbraw/zinc/25/98/78/137259878.db2.gz JJPVWGIJUCRISS-MCIONIFRSA-N 2 2 283.416 0.648 20 0 CCADLP COCC[NH+]1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000345714169 137248006 /nfs/dbraw/zinc/24/80/06/137248006.db2.gz GSOUTOKJLDHTBV-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000346301814 137278324 /nfs/dbraw/zinc/27/83/24/137278324.db2.gz WACFJZGYUMJRFC-DZGCQCFKSA-N 2 2 281.400 0.261 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000346301814 137278325 /nfs/dbraw/zinc/27/83/25/137278325.db2.gz WACFJZGYUMJRFC-DZGCQCFKSA-N 2 2 281.400 0.261 20 0 CCADLP CC[NH+]1CCOC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000346301814 137278326 /nfs/dbraw/zinc/27/83/26/137278326.db2.gz WACFJZGYUMJRFC-DZGCQCFKSA-N 2 2 281.400 0.261 20 0 CCADLP CC[NH+]1CCOC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000346301814 137278327 /nfs/dbraw/zinc/27/83/27/137278327.db2.gz WACFJZGYUMJRFC-DZGCQCFKSA-N 2 2 281.400 0.261 20 0 CCADLP O=C(NCCn1cc[nH+]c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000339443962 215174953 /nfs/dbraw/zinc/17/49/53/215174953.db2.gz CYTYREPGCTUHTF-NSHDSACASA-N 2 2 263.345 0.419 20 0 CCADLP O=C(NCCn1cc[nH+]c1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000339443962 215174955 /nfs/dbraw/zinc/17/49/55/215174955.db2.gz CYTYREPGCTUHTF-NSHDSACASA-N 2 2 263.345 0.419 20 0 CCADLP C[N@H+](CC[C@@H]1CCCO1)C1CC[NH+](CCO)CC1 ZINC000346220270 137273013 /nfs/dbraw/zinc/27/30/13/137273013.db2.gz ISZIBELVUCXXKX-AWEZNQCLSA-N 2 2 256.390 0.944 20 0 CCADLP C[N@@H+](CC[C@@H]1CCCO1)C1CC[NH+](CCO)CC1 ZINC000346220270 137273014 /nfs/dbraw/zinc/27/30/14/137273014.db2.gz ISZIBELVUCXXKX-AWEZNQCLSA-N 2 2 256.390 0.944 20 0 CCADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[NH+](CCO)CC1 ZINC000346813994 137305801 /nfs/dbraw/zinc/30/58/01/137305801.db2.gz QZAPVYVKVIHCEK-LBPRGKRZSA-N 2 2 271.405 0.290 20 0 CCADLP c1cnnc(N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000346830897 137306880 /nfs/dbraw/zinc/30/68/80/137306880.db2.gz PNGPMJVIHFGGCM-CYBMUJFWSA-N 2 2 261.373 0.598 20 0 CCADLP C[NH2+]C1CC[NH+](Cc2cnn(CCOC)c2)CC1 ZINC000347144084 137322285 /nfs/dbraw/zinc/32/22/85/137322285.db2.gz XHRMATLJIFHOBM-UHFFFAOYSA-N 2 2 252.362 0.713 20 0 CCADLP OC[C@@H](O)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000347534681 137341813 /nfs/dbraw/zinc/34/18/13/137341813.db2.gz YMISCQFUDHRYCM-JTQLQIEISA-N 2 2 253.327 0.377 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)CCn2cc[nH+]c2)CCO1 ZINC000347611172 137345421 /nfs/dbraw/zinc/34/54/21/137345421.db2.gz HDSFNPRGDIZUEQ-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)CCn2cc[nH+]c2)CCO1 ZINC000347611172 137345422 /nfs/dbraw/zinc/34/54/22/137345422.db2.gz HDSFNPRGDIZUEQ-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP C[C@H](C[NH3+])NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000347650584 137347807 /nfs/dbraw/zinc/34/78/07/137347807.db2.gz JZOJOWYMKMEVFT-GFCCVEGCSA-N 2 2 277.368 0.596 20 0 CCADLP C[C@@H]1CN(C(=O)[C@]2(C)CCC[NH2+]C2)C[C@H]1[NH+]1CCOCC1 ZINC000120480295 349988432 /nfs/dbraw/zinc/98/84/32/349988432.db2.gz MLHDIQJHMGOGAU-IIAWOOMASA-N 2 2 295.427 0.555 20 0 CCADLP C[C@@H](CC[NH3+])NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000349985687 137409687 /nfs/dbraw/zinc/40/96/87/137409687.db2.gz GYMHTELCSRVZHV-ZDUSSCGKSA-N 2 2 291.399 0.057 20 0 CCADLP Cc1noc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000051959530 348500956 /nfs/dbraw/zinc/50/09/56/348500956.db2.gz MGHULFVYIJXADJ-UHFFFAOYSA-N 2 2 280.372 0.922 20 0 CCADLP CO[C@H](C)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000058971552 348636159 /nfs/dbraw/zinc/63/61/59/348636159.db2.gz BVSRSOMUTZUWKL-GFCCVEGCSA-N 2 2 271.405 0.506 20 0 CCADLP CO[C@H](C)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000058971552 348636162 /nfs/dbraw/zinc/63/61/62/348636162.db2.gz BVSRSOMUTZUWKL-GFCCVEGCSA-N 2 2 271.405 0.506 20 0 CCADLP C[C@@]1(C[NH+]2CCN(c3ncccn3)CC2)CC[NH2+]C1 ZINC000062910858 348673005 /nfs/dbraw/zinc/67/30/05/348673005.db2.gz ZQRPGBPFFMLRAF-CQSZACIVSA-N 2 2 261.373 0.598 20 0 CCADLP c1c[nH+]c(CN2CCC[C@@H](C[NH+]3CCOCC3)C2)[nH]1 ZINC000069805221 348861824 /nfs/dbraw/zinc/86/18/24/348861824.db2.gz GBURXRBVITYJRQ-ZDUSSCGKSA-N 2 2 264.373 0.954 20 0 CCADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)N1CCOCC1 ZINC000075835961 349053391 /nfs/dbraw/zinc/05/33/91/349053391.db2.gz YAFJLJLZRRTWPU-OAHLLOKOSA-N 2 2 295.427 0.653 20 0 CCADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)N1CCOCC1 ZINC000075835961 349053395 /nfs/dbraw/zinc/05/33/95/349053395.db2.gz YAFJLJLZRRTWPU-OAHLLOKOSA-N 2 2 295.427 0.653 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC000080479252 349214031 /nfs/dbraw/zinc/21/40/31/349214031.db2.gz PWUZZCLXSHUFQF-UHFFFAOYSA-N 2 2 285.432 0.896 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC000080479252 349214034 /nfs/dbraw/zinc/21/40/34/349214034.db2.gz PWUZZCLXSHUFQF-UHFFFAOYSA-N 2 2 285.432 0.896 20 0 CCADLP O=C1CCC(=O)N1CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080959678 349234505 /nfs/dbraw/zinc/23/45/05/349234505.db2.gz YSNGGSBABABDMX-LLVKDONJSA-N 2 2 276.340 0.738 20 0 CCADLP O=C1CCC(=O)N1CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080959678 349234510 /nfs/dbraw/zinc/23/45/10/349234510.db2.gz YSNGGSBABABDMX-LLVKDONJSA-N 2 2 276.340 0.738 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080961201 349235336 /nfs/dbraw/zinc/23/53/36/349235336.db2.gz ZBEOBJNVSQRDPN-LLVKDONJSA-N 2 2 293.371 0.825 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080961201 349235341 /nfs/dbraw/zinc/23/53/41/349235341.db2.gz ZBEOBJNVSQRDPN-LLVKDONJSA-N 2 2 293.371 0.825 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[NH2+]CC(C)(C)C[NH+](C)C ZINC000081898692 349287829 /nfs/dbraw/zinc/28/78/29/349287829.db2.gz ABSCQSLLSOOVLG-JTQLQIEISA-N 2 2 250.408 0.597 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NCC(=O)OC)C1 ZINC000081516355 349270991 /nfs/dbraw/zinc/27/09/91/349270991.db2.gz CRARNAYKWNUODT-STQMWFEESA-N 2 2 299.415 0.328 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NCC(=O)OC)C1 ZINC000081516355 349270994 /nfs/dbraw/zinc/27/09/94/349270994.db2.gz CRARNAYKWNUODT-STQMWFEESA-N 2 2 299.415 0.328 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NCC(=O)OC)C1 ZINC000081516355 349270996 /nfs/dbraw/zinc/27/09/96/349270996.db2.gz CRARNAYKWNUODT-STQMWFEESA-N 2 2 299.415 0.328 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NCC(=O)OC)C1 ZINC000081516355 349270999 /nfs/dbraw/zinc/27/09/99/349270999.db2.gz CRARNAYKWNUODT-STQMWFEESA-N 2 2 299.415 0.328 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000081631607 349278439 /nfs/dbraw/zinc/27/84/39/349278439.db2.gz IVGPZHIJKKCNPS-ZDUSSCGKSA-N 2 2 296.415 0.496 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000081631607 349278442 /nfs/dbraw/zinc/27/84/42/349278442.db2.gz IVGPZHIJKKCNPS-ZDUSSCGKSA-N 2 2 296.415 0.496 20 0 CCADLP CCNC(=O)NC(=O)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000081631607 349278445 /nfs/dbraw/zinc/27/84/45/349278445.db2.gz IVGPZHIJKKCNPS-ZDUSSCGKSA-N 2 2 296.415 0.496 20 0 CCADLP CCNC(=O)NC(=O)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000081631607 349278448 /nfs/dbraw/zinc/27/84/48/349278448.db2.gz IVGPZHIJKKCNPS-ZDUSSCGKSA-N 2 2 296.415 0.496 20 0 CCADLP CN1CC[C@@H]([N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)C1=O ZINC000081630602 349278651 /nfs/dbraw/zinc/27/86/51/349278651.db2.gz FCLVURZTILOHJS-ZIAGYGMSSA-N 2 2 265.401 0.881 20 0 CCADLP CN1CC[C@@H]([N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)C1=O ZINC000081630602 349278654 /nfs/dbraw/zinc/27/86/54/349278654.db2.gz FCLVURZTILOHJS-ZIAGYGMSSA-N 2 2 265.401 0.881 20 0 CCADLP CN1CC[C@@H]([NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)C1=O ZINC000081630602 349278657 /nfs/dbraw/zinc/27/86/57/349278657.db2.gz FCLVURZTILOHJS-ZIAGYGMSSA-N 2 2 265.401 0.881 20 0 CCADLP CN1CC[C@@H]([NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)C1=O ZINC000081630602 349278660 /nfs/dbraw/zinc/27/86/60/349278660.db2.gz FCLVURZTILOHJS-ZIAGYGMSSA-N 2 2 265.401 0.881 20 0 CCADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000081633365 349278881 /nfs/dbraw/zinc/27/88/81/349278881.db2.gz WTEHHUNQDJUDPG-LBPRGKRZSA-N 2 2 282.388 0.106 20 0 CCADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000081633365 349278884 /nfs/dbraw/zinc/27/88/84/349278884.db2.gz WTEHHUNQDJUDPG-LBPRGKRZSA-N 2 2 282.388 0.106 20 0 CCADLP CNC(=O)NC(=O)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000081633365 349278887 /nfs/dbraw/zinc/27/88/87/349278887.db2.gz WTEHHUNQDJUDPG-LBPRGKRZSA-N 2 2 282.388 0.106 20 0 CCADLP CNC(=O)NC(=O)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000081633365 349278892 /nfs/dbraw/zinc/27/88/92/349278892.db2.gz WTEHHUNQDJUDPG-LBPRGKRZSA-N 2 2 282.388 0.106 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000084695023 349324805 /nfs/dbraw/zinc/32/48/05/349324805.db2.gz STDBRUKOPOMCHL-LBPRGKRZSA-N 2 2 257.378 0.023 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000084695023 349324807 /nfs/dbraw/zinc/32/48/07/349324807.db2.gz STDBRUKOPOMCHL-LBPRGKRZSA-N 2 2 257.378 0.023 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCc1c[nH+]cn1C ZINC000121395494 350036925 /nfs/dbraw/zinc/03/69/25/350036925.db2.gz FPZNGPYXRPMVJW-CYBMUJFWSA-N 2 2 264.373 0.953 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCCc1c[nH+]cn1C ZINC000121395494 350036928 /nfs/dbraw/zinc/03/69/28/350036928.db2.gz FPZNGPYXRPMVJW-CYBMUJFWSA-N 2 2 264.373 0.953 20 0 CCADLP COCc1cccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000122497708 350065718 /nfs/dbraw/zinc/06/57/18/350065718.db2.gz CMVFPINKYHKSKC-OAHLLOKOSA-N 2 2 263.385 0.908 20 0 CCADLP COCc1cccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000122497708 350065719 /nfs/dbraw/zinc/06/57/19/350065719.db2.gz CMVFPINKYHKSKC-OAHLLOKOSA-N 2 2 263.385 0.908 20 0 CCADLP C[N@@H+]1CCN(C(=O)CC[C@@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000122660388 350067769 /nfs/dbraw/zinc/06/77/69/350067769.db2.gz SWOWPARCLSFDMW-NEPJUHHUSA-N 2 2 255.362 0.047 20 0 CCADLP C[N@H+]1CCN(C(=O)CC[C@@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000122660388 350067773 /nfs/dbraw/zinc/06/77/73/350067773.db2.gz SWOWPARCLSFDMW-NEPJUHHUSA-N 2 2 255.362 0.047 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)NC(=O)NC(C)(C)C)CC[C@@H]1[NH3+] ZINC000122709880 350069182 /nfs/dbraw/zinc/06/91/82/350069182.db2.gz YGDCJYZYBMQBBT-MNOVXSKESA-N 2 2 284.404 0.670 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)CC[C@@H]1[NH3+] ZINC000122709880 350069185 /nfs/dbraw/zinc/06/91/85/350069185.db2.gz YGDCJYZYBMQBBT-MNOVXSKESA-N 2 2 284.404 0.670 20 0 CCADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NC2CCOCC2)CC[N@@H+]1C ZINC000124041262 350088047 /nfs/dbraw/zinc/08/80/47/350088047.db2.gz JZCSECVZMZCLLT-TZMCWYRMSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NC2CCOCC2)CC[N@H+]1C ZINC000124041262 350088051 /nfs/dbraw/zinc/08/80/51/350088051.db2.gz JZCSECVZMZCLLT-TZMCWYRMSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)NC2CCOCC2)CC[NH+]1C ZINC000124041262 350088056 /nfs/dbraw/zinc/08/80/56/350088056.db2.gz JZCSECVZMZCLLT-TZMCWYRMSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)NC2CCOCC2)CC[NH+]1C ZINC000124041262 350088059 /nfs/dbraw/zinc/08/80/59/350088059.db2.gz JZCSECVZMZCLLT-TZMCWYRMSA-N 2 2 283.416 0.696 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+](CCC3OCCO3)CC2)c1 ZINC000124151531 350090875 /nfs/dbraw/zinc/09/08/75/350090875.db2.gz DGDYKLQXBQOSFU-UHFFFAOYSA-N 2 2 293.367 0.975 20 0 CCADLP C[C@H](O)C[C@H]1CCCCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000124222739 350091612 /nfs/dbraw/zinc/09/16/12/350091612.db2.gz XJWRERQWAKDAQT-LSDHHAIUSA-N 2 2 297.443 0.776 20 0 CCADLP C[C@H](O)C[C@H]1CCCCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000124222739 350091615 /nfs/dbraw/zinc/09/16/15/350091615.db2.gz XJWRERQWAKDAQT-LSDHHAIUSA-N 2 2 297.443 0.776 20 0 CCADLP C(C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)C1OCCO1 ZINC000124277394 350093327 /nfs/dbraw/zinc/09/33/27/350093327.db2.gz LYBYYQCQQNUVGR-CQSZACIVSA-N 2 2 284.400 0.794 20 0 CCADLP C(C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)C1OCCO1 ZINC000124277394 350093331 /nfs/dbraw/zinc/09/33/31/350093331.db2.gz LYBYYQCQQNUVGR-CQSZACIVSA-N 2 2 284.400 0.794 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1)[NH+](C)C ZINC000126554170 350149180 /nfs/dbraw/zinc/14/91/80/350149180.db2.gz KUMFVTRCABHYEQ-GJZGRUSLSA-N 2 2 298.475 0.715 20 0 CCADLP O=C(C[N@@H+]1CCc2sccc2C1)N[C@H]1CC[NH2+]C1 ZINC000126287998 350142365 /nfs/dbraw/zinc/14/23/65/350142365.db2.gz XOSYZQJBCWWAHO-NSHDSACASA-N 2 2 265.382 0.584 20 0 CCADLP O=C(C[N@H+]1CCc2sccc2C1)N[C@H]1CC[NH2+]C1 ZINC000126287998 350142366 /nfs/dbraw/zinc/14/23/66/350142366.db2.gz XOSYZQJBCWWAHO-NSHDSACASA-N 2 2 265.382 0.584 20 0 CCADLP C[C@@H](O)CNc1cc(NCC[N@@H+]2CCCC[C@H]2C)nc[nH+]1 ZINC000413060148 233319304 /nfs/dbraw/zinc/31/93/04/233319304.db2.gz MNHFHGADFPGUIO-CHWSQXEVSA-N 2 2 293.415 0.978 20 0 CCADLP C[C@@H](O)CNc1cc(NCC[N@H+]2CCCC[C@H]2C)nc[nH+]1 ZINC000413060148 233319314 /nfs/dbraw/zinc/31/93/14/233319314.db2.gz MNHFHGADFPGUIO-CHWSQXEVSA-N 2 2 293.415 0.978 20 0 CCADLP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129483628 350215529 /nfs/dbraw/zinc/21/55/29/350215529.db2.gz XBGXMOSOJODHSL-HNNXBMFYSA-N 2 2 295.427 0.509 20 0 CCADLP CN(CC1CC1)C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129483628 350215532 /nfs/dbraw/zinc/21/55/32/350215532.db2.gz XBGXMOSOJODHSL-HNNXBMFYSA-N 2 2 295.427 0.509 20 0 CCADLP CNC(=O)C[NH+]1CCC(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000128961061 350202420 /nfs/dbraw/zinc/20/24/20/350202420.db2.gz ZCSDTKAWNXIISA-OCCSQVGLSA-N 2 2 294.443 0.412 20 0 CCADLP CNC(=O)C[NH+]1CCC(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000128961061 350202423 /nfs/dbraw/zinc/20/24/23/350202423.db2.gz ZCSDTKAWNXIISA-OCCSQVGLSA-N 2 2 294.443 0.412 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@](C)([NH3+])c2ccccc2)C1 ZINC000091669737 180224721 /nfs/dbraw/zinc/22/47/21/180224721.db2.gz UDORJJNAVKIOSN-DZGCQCFKSA-N 2 2 277.368 0.307 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@](C)([NH3+])c2ccccc2)C1 ZINC000091669737 180224723 /nfs/dbraw/zinc/22/47/23/180224723.db2.gz UDORJJNAVKIOSN-DZGCQCFKSA-N 2 2 277.368 0.307 20 0 CCADLP [NH3+]Cc1cc(C(=O)NCCCCn2cc[nH+]c2)ccn1 ZINC000130232775 350232999 /nfs/dbraw/zinc/23/29/99/350232999.db2.gz CIRNEYCZRROUBE-UHFFFAOYSA-N 2 2 273.340 0.947 20 0 CCADLP CCN(C)C(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000130526672 350239971 /nfs/dbraw/zinc/23/99/71/350239971.db2.gz HKNDPMZPONZTES-CQSZACIVSA-N 2 2 283.416 0.509 20 0 CCADLP CCN(C)C(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000130526672 350239973 /nfs/dbraw/zinc/23/99/73/350239973.db2.gz HKNDPMZPONZTES-CQSZACIVSA-N 2 2 283.416 0.509 20 0 CCADLP CSCC[C@@H]([NH3+])C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000131107495 350262415 /nfs/dbraw/zinc/26/24/15/350262415.db2.gz ITKKECBKBGOMBP-LLVKDONJSA-N 2 2 289.445 0.294 20 0 CCADLP COc1c(N)[nH+]cnc1N1CCC(C[NH+](C)C)CC1 ZINC000134855154 350378172 /nfs/dbraw/zinc/37/81/72/350378172.db2.gz FISMFCJMVIZUAX-UHFFFAOYSA-N 2 2 265.361 0.845 20 0 CCADLP COc1c(N)nc[nH+]c1N1CCC(C[NH+](C)C)CC1 ZINC000134855154 350378173 /nfs/dbraw/zinc/37/81/73/350378173.db2.gz FISMFCJMVIZUAX-UHFFFAOYSA-N 2 2 265.361 0.845 20 0 CCADLP C[C@H](CC(N)=O)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000135714462 350407332 /nfs/dbraw/zinc/40/73/32/350407332.db2.gz LTGZCRSVHHOKJY-LLVKDONJSA-N 2 2 262.357 0.904 20 0 CCADLP COC(C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)OC ZINC000136773835 350428240 /nfs/dbraw/zinc/42/82/40/350428240.db2.gz KUPWASQLGNJMBL-GFCCVEGCSA-N 2 2 258.362 0.259 20 0 CCADLP COC(C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)OC ZINC000136773835 350428244 /nfs/dbraw/zinc/42/82/44/350428244.db2.gz KUPWASQLGNJMBL-GFCCVEGCSA-N 2 2 258.362 0.259 20 0 CCADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)NCCCc1ccccc1 ZINC000107576545 186179933 /nfs/dbraw/zinc/17/99/33/186179933.db2.gz SCTGWIHVZZKHKZ-HOTGVXAUSA-N 2 2 287.407 0.887 20 0 CCADLP CCC(CC)[C@H](C(=O)N1CC[NH2+][C@H](C)C1)[NH+]1CCOCC1 ZINC000155152486 350611217 /nfs/dbraw/zinc/61/12/17/350611217.db2.gz QYBKGRWEZMBQPB-UKRRQHHQSA-N 2 2 297.443 0.944 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccnn1C ZINC000156217896 350626970 /nfs/dbraw/zinc/62/69/70/350626970.db2.gz BTTISAYOPRQPEZ-UHFFFAOYSA-N 2 2 293.415 0.518 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccnn1C ZINC000156217896 350626975 /nfs/dbraw/zinc/62/69/75/350626975.db2.gz BTTISAYOPRQPEZ-UHFFFAOYSA-N 2 2 293.415 0.518 20 0 CCADLP COC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000156194696 350627434 /nfs/dbraw/zinc/62/74/34/350627434.db2.gz OZWKKTKXZDCLIK-DGCLKSJQSA-N 2 2 297.399 0.210 20 0 CCADLP COC(=O)C1CCN(C(=O)C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000156194696 350627436 /nfs/dbraw/zinc/62/74/36/350627436.db2.gz OZWKKTKXZDCLIK-DGCLKSJQSA-N 2 2 297.399 0.210 20 0 CCADLP CCS(=O)(=O)NCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109796841 186272844 /nfs/dbraw/zinc/27/28/44/186272844.db2.gz GQKAHNRXHRJQJC-UHFFFAOYSA-N 2 2 286.401 0.459 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NCC(F)(F)F)C1 ZINC000159890792 350691476 /nfs/dbraw/zinc/69/14/76/350691476.db2.gz ZQTWNRXGXHDZMQ-XHNCKOQMSA-N 2 2 267.295 0.723 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)C(=O)NCC(F)(F)F)C1 ZINC000159890792 350691477 /nfs/dbraw/zinc/69/14/77/350691477.db2.gz ZQTWNRXGXHDZMQ-XHNCKOQMSA-N 2 2 267.295 0.723 20 0 CCADLP C[C@@H]1CC[C@H](CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000162512745 350745198 /nfs/dbraw/zinc/74/51/98/350745198.db2.gz VSTLTFMTLPALDB-AGIUHOORSA-N 2 2 253.390 0.914 20 0 CCADLP C[C@@H]1CC[C@H](CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000162512745 350745201 /nfs/dbraw/zinc/74/52/01/350745201.db2.gz VSTLTFMTLPALDB-AGIUHOORSA-N 2 2 253.390 0.914 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000163230821 350762382 /nfs/dbraw/zinc/76/23/82/350762382.db2.gz SQAOEQMAZVPPHI-ZJUUUORDSA-N 2 2 270.377 0.280 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000163230821 350762386 /nfs/dbraw/zinc/76/23/86/350762386.db2.gz SQAOEQMAZVPPHI-ZJUUUORDSA-N 2 2 270.377 0.280 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2F)CCO1 ZINC000165045236 350786921 /nfs/dbraw/zinc/78/69/21/350786921.db2.gz FMDSNJOBFDVLCY-NSHDSACASA-N 2 2 281.331 0.814 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2F)CCO1 ZINC000165045236 350786923 /nfs/dbraw/zinc/78/69/23/350786923.db2.gz FMDSNJOBFDVLCY-NSHDSACASA-N 2 2 281.331 0.814 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2F)CCO1 ZINC000165045122 350787011 /nfs/dbraw/zinc/78/70/11/350787011.db2.gz FMDSNJOBFDVLCY-LLVKDONJSA-N 2 2 281.331 0.814 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2F)CCO1 ZINC000165045122 350787013 /nfs/dbraw/zinc/78/70/13/350787013.db2.gz FMDSNJOBFDVLCY-LLVKDONJSA-N 2 2 281.331 0.814 20 0 CCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@H]1CSC[NH2+]1 ZINC000165520736 350790783 /nfs/dbraw/zinc/79/07/83/350790783.db2.gz DLEMYDVGMGPEGJ-MWLCHTKSSA-N 2 2 268.386 0.606 20 0 CCADLP C[C@H](CNC(=O)C[C@@H]1C[NH2+]CCO1)Cn1cc[nH+]c1 ZINC000165585979 350791885 /nfs/dbraw/zinc/79/18/85/350791885.db2.gz XYLPWADAGRGWPV-VXGBXAGGSA-N 2 2 266.345 0.014 20 0 CCADLP CC[C@H]([NH3+])C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000165975642 350794739 /nfs/dbraw/zinc/79/47/39/350794739.db2.gz UPUJJXMNPQLIKD-AAEUAGOBSA-N 2 2 287.429 0.048 20 0 CCADLP C[C@@H]1CN(c2ccc(CNC(=O)C[NH+](C)C)c[nH+]2)CCO1 ZINC000170756958 350858063 /nfs/dbraw/zinc/85/80/63/350858063.db2.gz AOCZOFWQFCZXGI-GFCCVEGCSA-N 2 2 292.383 0.485 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000171354897 350902833 /nfs/dbraw/zinc/90/28/33/350902833.db2.gz JIQIGZATTRYDQI-UHFFFAOYSA-N 2 2 262.357 0.287 20 0 CCADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NC2CCOCC2)C1 ZINC000173908575 351061155 /nfs/dbraw/zinc/06/11/55/351061155.db2.gz HDCNJEVZCYIYOK-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NC2CCOCC2)C1 ZINC000173908575 351061158 /nfs/dbraw/zinc/06/11/58/351061158.db2.gz HDCNJEVZCYIYOK-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC2CCOCC2)C1 ZINC000173908575 351061160 /nfs/dbraw/zinc/06/11/60/351061160.db2.gz HDCNJEVZCYIYOK-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC2CCOCC2)C1 ZINC000173908575 351061163 /nfs/dbraw/zinc/06/11/63/351061163.db2.gz HDCNJEVZCYIYOK-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)NC(=O)NC1CC1 ZINC000173954121 351064402 /nfs/dbraw/zinc/06/44/02/351064402.db2.gz CLCOCKPYNQJHKB-ZDUSSCGKSA-N 2 2 296.415 0.781 20 0 CCADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)NC(=O)NC1CC1 ZINC000173954121 351064406 /nfs/dbraw/zinc/06/44/06/351064406.db2.gz CLCOCKPYNQJHKB-ZDUSSCGKSA-N 2 2 296.415 0.781 20 0 CCADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC(=O)NC(=O)NC1CC1 ZINC000173954121 351064410 /nfs/dbraw/zinc/06/44/10/351064410.db2.gz CLCOCKPYNQJHKB-ZDUSSCGKSA-N 2 2 296.415 0.781 20 0 CCADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC(=O)NC(=O)NC1CC1 ZINC000173954121 351064412 /nfs/dbraw/zinc/06/44/12/351064412.db2.gz CLCOCKPYNQJHKB-ZDUSSCGKSA-N 2 2 296.415 0.781 20 0 CCADLP CCOCC[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000174734141 351100681 /nfs/dbraw/zinc/10/06/81/351100681.db2.gz BXXYEQOZGFXBJK-UHFFFAOYSA-N 2 2 250.346 0.944 20 0 CCADLP Cn1c[nH+]cc1CN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000177046874 351192082 /nfs/dbraw/zinc/19/20/82/351192082.db2.gz LQCNBJYMIHWSCW-UHFFFAOYSA-N 2 2 291.399 0.160 20 0 CCADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NC[C@@H]2CCCO2)CC[N@@H+]1C ZINC000177060447 351193656 /nfs/dbraw/zinc/19/36/56/351193656.db2.gz VQZKMNFEHLVVCF-MCIONIFRSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NC[C@@H]2CCCO2)CC[N@H+]1C ZINC000177060447 351193660 /nfs/dbraw/zinc/19/36/60/351193660.db2.gz VQZKMNFEHLVVCF-MCIONIFRSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)NC[C@@H]2CCCO2)CC[NH+]1C ZINC000177060447 351193661 /nfs/dbraw/zinc/19/36/61/351193661.db2.gz VQZKMNFEHLVVCF-MCIONIFRSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)NC[C@@H]2CCCO2)CC[NH+]1C ZINC000177060447 351193666 /nfs/dbraw/zinc/19/36/66/351193666.db2.gz VQZKMNFEHLVVCF-MCIONIFRSA-N 2 2 283.416 0.696 20 0 CCADLP Cc1nc(N2CC[NH+](C[C@@H]3CCOC3)CC2)cc[nH+]1 ZINC000176951243 351189935 /nfs/dbraw/zinc/18/99/35/351189935.db2.gz URJFTQGVEUKYOX-ZDUSSCGKSA-N 2 2 262.357 0.944 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)CC[N@@H+]1C ZINC000178520414 351233328 /nfs/dbraw/zinc/23/33/28/351233328.db2.gz ZBQXNLBQOFVINW-ZIAGYGMSSA-N 3 2 269.433 0.906 20 0 CCADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC000177492523 351205909 /nfs/dbraw/zinc/20/59/09/351205909.db2.gz AOKKNXICNDPEKZ-CQSZACIVSA-N 2 2 283.416 0.696 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCCOC1 ZINC000180486136 351286744 /nfs/dbraw/zinc/28/67/44/351286744.db2.gz HVFQWOUVSQFTJB-ZDUSSCGKSA-N 2 2 269.389 0.119 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCCOC1 ZINC000180486136 351286749 /nfs/dbraw/zinc/28/67/49/351286749.db2.gz HVFQWOUVSQFTJB-ZDUSSCGKSA-N 2 2 269.389 0.119 20 0 CCADLP C[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(C)(C)C ZINC000181027851 351298907 /nfs/dbraw/zinc/29/89/07/351298907.db2.gz LSQIZAWQLUKPKV-UONOGXRCSA-N 2 2 297.443 0.944 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3CC(=O)C3)CC2)CC1 ZINC000183519289 351381340 /nfs/dbraw/zinc/38/13/40/351381340.db2.gz AKSXJBFQGQVVOJ-UHFFFAOYSA-N 2 2 293.411 0.640 20 0 CCADLP C[C@H]1CC[C@H](C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)O1 ZINC000190513164 351725868 /nfs/dbraw/zinc/72/58/68/351725868.db2.gz ZLTUZFIXNSRSFH-LSDHHAIUSA-N 2 2 295.427 0.794 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ncccn1 ZINC000192134733 351785144 /nfs/dbraw/zinc/78/51/44/351785144.db2.gz PADUKGNPYABMAA-UHFFFAOYSA-N 2 2 277.416 0.934 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ncccn1 ZINC000192134733 351785149 /nfs/dbraw/zinc/78/51/49/351785149.db2.gz PADUKGNPYABMAA-UHFFFAOYSA-N 2 2 277.416 0.934 20 0 CCADLP COCC[NH+]1CCN(CCCn2cc[nH+]c2C)CC1 ZINC000122570390 187039142 /nfs/dbraw/zinc/03/91/42/187039142.db2.gz VWQUZICIFGPAGU-UHFFFAOYSA-N 2 2 266.389 0.846 20 0 CCADLP COCCN1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000122570390 187039143 /nfs/dbraw/zinc/03/91/43/187039143.db2.gz VWQUZICIFGPAGU-UHFFFAOYSA-N 2 2 266.389 0.846 20 0 CCADLP CN(C)C(=O)c1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)[nH]1 ZINC000194539833 351873980 /nfs/dbraw/zinc/87/39/80/351873980.db2.gz XBFIEBPTDVBXJV-TXEJJXNPSA-N 2 2 276.384 0.710 20 0 CCADLP CN(C)C(=O)c1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)[nH]1 ZINC000194539833 351873984 /nfs/dbraw/zinc/87/39/84/351873984.db2.gz XBFIEBPTDVBXJV-TXEJJXNPSA-N 2 2 276.384 0.710 20 0 CCADLP CN(C)C(=O)c1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)[nH]1 ZINC000194539833 351873987 /nfs/dbraw/zinc/87/39/87/351873987.db2.gz XBFIEBPTDVBXJV-TXEJJXNPSA-N 2 2 276.384 0.710 20 0 CCADLP CN(C)C(=O)c1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)[nH]1 ZINC000194539833 351873989 /nfs/dbraw/zinc/87/39/89/351873989.db2.gz XBFIEBPTDVBXJV-TXEJJXNPSA-N 2 2 276.384 0.710 20 0 CCADLP Cc1cc(N2CCN(C(=O)[C@H](C)[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000195140930 351898297 /nfs/dbraw/zinc/89/82/97/351898297.db2.gz ATQKYQBXPTYIAW-LBPRGKRZSA-N 2 2 291.399 0.904 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000195156723 351900142 /nfs/dbraw/zinc/90/01/42/351900142.db2.gz WEWWVQXGDZHLQJ-GFCCVEGCSA-N 2 2 262.357 0.763 20 0 CCADLP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000195157756 351900278 /nfs/dbraw/zinc/90/02/78/351900278.db2.gz FLYBAARHDAEGOU-QWRGUYRKSA-N 2 2 257.403 0.640 20 0 CCADLP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000195157756 351900281 /nfs/dbraw/zinc/90/02/81/351900281.db2.gz FLYBAARHDAEGOU-QWRGUYRKSA-N 2 2 257.403 0.640 20 0 CCADLP CCCn1cc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cn1 ZINC000219687179 351969447 /nfs/dbraw/zinc/96/94/47/351969447.db2.gz HCOAVJYBIHYQAL-UHFFFAOYSA-N 2 2 279.388 0.157 20 0 CCADLP CCCn1cc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cn1 ZINC000219687179 351969449 /nfs/dbraw/zinc/96/94/49/351969449.db2.gz HCOAVJYBIHYQAL-UHFFFAOYSA-N 2 2 279.388 0.157 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000225329729 352002358 /nfs/dbraw/zinc/00/23/58/352002358.db2.gz IWQOYJVSTBEWSN-AWEZNQCLSA-N 2 2 291.395 0.793 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000225329729 352002361 /nfs/dbraw/zinc/00/23/61/352002361.db2.gz IWQOYJVSTBEWSN-AWEZNQCLSA-N 2 2 291.395 0.793 20 0 CCADLP COc1ccc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])c(F)c1 ZINC000228621988 352079001 /nfs/dbraw/zinc/07/90/01/352079001.db2.gz JGUJBGOKAAXVBV-LBPRGKRZSA-N 2 2 267.348 0.909 20 0 CCADLP COc1ccc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])c(F)c1 ZINC000228621988 352079004 /nfs/dbraw/zinc/07/90/04/352079004.db2.gz JGUJBGOKAAXVBV-LBPRGKRZSA-N 2 2 267.348 0.909 20 0 CCADLP C[N@@H+]1CCN(Cc2cncc(Br)c2)[C@@H](C[NH3+])C1 ZINC000228642710 352079140 /nfs/dbraw/zinc/07/91/40/352079140.db2.gz ZCJSDEARAHBPBW-LBPRGKRZSA-N 2 2 299.216 0.919 20 0 CCADLP C[N@H+]1CCN(Cc2cncc(Br)c2)[C@@H](C[NH3+])C1 ZINC000228642710 352079141 /nfs/dbraw/zinc/07/91/41/352079141.db2.gz ZCJSDEARAHBPBW-LBPRGKRZSA-N 2 2 299.216 0.919 20 0 CCADLP Cc1nn(C)c(Cl)c1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000228726522 352082796 /nfs/dbraw/zinc/08/27/96/352082796.db2.gz OTGAKLYBRZPKKG-GFCCVEGCSA-N 2 2 274.796 0.784 20 0 CCADLP Cc1c(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cnn1C ZINC000229805743 352096705 /nfs/dbraw/zinc/09/67/05/352096705.db2.gz GUUQGPMWKDADCC-CYBMUJFWSA-N 2 2 252.362 0.275 20 0 CCADLP CC(C)([NH3+])C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000236779463 352212585 /nfs/dbraw/zinc/21/25/85/352212585.db2.gz YYQDZELQVQEBPQ-UHFFFAOYSA-N 2 2 291.395 0.947 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000236903553 352226073 /nfs/dbraw/zinc/22/60/73/352226073.db2.gz UESAJXUWZZFFPP-RVMXOQNASA-N 2 2 271.405 0.585 20 0 CCADLP CC[C@H]([NH3+])C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000236973031 352233704 /nfs/dbraw/zinc/23/37/04/352233704.db2.gz KSGCBSIUEMAKRS-ZETCQYMHSA-N 2 2 254.359 0.807 20 0 CCADLP CC[C@H]([NH3+])C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000236973031 352233705 /nfs/dbraw/zinc/23/37/05/352233705.db2.gz KSGCBSIUEMAKRS-ZETCQYMHSA-N 2 2 254.359 0.807 20 0 CCADLP C[C@H](NC(=O)c1csc(C[NH3+])n1)[C@H](C)[NH+]1CCOCC1 ZINC000237459971 352266357 /nfs/dbraw/zinc/26/63/57/352266357.db2.gz CHZAIRXTTKGVMZ-UWVGGRQHSA-N 2 2 298.412 0.441 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CC12CC[NH2+]CC2)[NH+]1CCOCC1 ZINC000237567980 352271747 /nfs/dbraw/zinc/27/17/47/352271747.db2.gz SYELBJMYKXVWMS-STQMWFEESA-N 2 2 281.400 0.213 20 0 CCADLP [NH3+]C1CCC(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000655414945 412563352 /nfs/dbraw/zinc/56/33/52/412563352.db2.gz RVTYZZAWUYQHFQ-VOMCLLRMSA-N 2 2 262.357 0.832 20 0 CCADLP [NH3+][C@@H](CNC(=O)Cc1cn2ccccc2[nH+]1)C1CC1 ZINC000237993768 352292709 /nfs/dbraw/zinc/29/27/09/352292709.db2.gz ZPROITIITYVLRK-LBPRGKRZSA-N 2 2 258.325 0.730 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)Cn2cc[nH+]c2)C1 ZINC000245428510 352322128 /nfs/dbraw/zinc/32/21/28/352322128.db2.gz XITMWUAVHYGGRH-STQMWFEESA-N 2 2 280.372 0.356 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)Cn2cc[nH+]c2)C1 ZINC000245428510 352322132 /nfs/dbraw/zinc/32/21/32/352322132.db2.gz XITMWUAVHYGGRH-STQMWFEESA-N 2 2 280.372 0.356 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C(=O)OC)CC1 ZINC000246375317 352363263 /nfs/dbraw/zinc/36/32/63/352363263.db2.gz MFPMXRFBBIVVHJ-QWHCGFSZSA-N 2 2 299.415 0.280 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246525203 352371392 /nfs/dbraw/zinc/37/13/92/352371392.db2.gz ABNOEDGPPFFUFH-AVGNSLFASA-N 2 2 297.399 0.080 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246525203 352371396 /nfs/dbraw/zinc/37/13/96/352371396.db2.gz ABNOEDGPPFFUFH-AVGNSLFASA-N 2 2 297.399 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C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[N@H+]1CC(C)(C)O ZINC000283233817 353492854 /nfs/dbraw/zinc/49/28/54/353492854.db2.gz BOBZSFUFOKSSSE-LBPRGKRZSA-N 2 2 294.399 0.646 20 0 CCADLP CC1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC[NH2+]CC1 ZINC000655457817 412579599 /nfs/dbraw/zinc/57/95/99/412579599.db2.gz FKDBVEGITSHNQK-NSHDSACASA-N 2 2 262.357 0.704 20 0 CCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000655458055 412580413 /nfs/dbraw/zinc/58/04/13/412580413.db2.gz KCNZVCPTFXYZJY-XQQFMLRXSA-N 2 2 274.368 0.656 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283829752 353532228 /nfs/dbraw/zinc/53/22/28/353532228.db2.gz GGCGYECUQMBABB-ONEGZZNKSA-N 2 2 278.356 0.650 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283829752 353532231 /nfs/dbraw/zinc/53/22/31/353532231.db2.gz GGCGYECUQMBABB-ONEGZZNKSA-N 2 2 278.356 0.650 20 0 CCADLP CNS(=O)(=O)CC[NH2+]CCCc1c[nH+]ccc1C ZINC000289858633 353690464 /nfs/dbraw/zinc/69/04/64/353690464.db2.gz VTHYMUWDWNTKAI-UHFFFAOYSA-N 2 2 271.386 0.461 20 0 CCADLP O=C(c1ccc2[nH+]ccn2c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000290129673 353710231 /nfs/dbraw/zinc/71/02/31/353710231.db2.gz ZKDJSXAQZACFIE-CQSZACIVSA-N 2 2 299.378 0.454 20 0 CCADLP COC[C@]1(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CCC[NH2+]1 ZINC000655461576 412582627 /nfs/dbraw/zinc/58/26/27/412582627.db2.gz UWQHKDISYMUINL-SWLSCSKDSA-N 2 2 292.383 0.330 20 0 CCADLP O=C(NCC[NH+]1CCSCC1)N1CCn2c[nH+]cc2C1 ZINC000290852190 353754654 /nfs/dbraw/zinc/75/46/54/353754654.db2.gz CWRJMDHSIAOCGH-UHFFFAOYSA-N 2 2 295.412 0.457 20 0 CCADLP [NH3+]CC[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C(F)(F)F ZINC000655464712 412582890 /nfs/dbraw/zinc/58/28/90/412582890.db2.gz GABGFFVYNCSLDY-DTWKUNHWSA-N 2 2 290.289 0.841 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000605545686 363260469 /nfs/dbraw/zinc/26/04/69/363260469.db2.gz SNQFYOJRVSWROI-LBPRGKRZSA-N 2 2 262.357 0.952 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000605545686 363260476 /nfs/dbraw/zinc/26/04/76/363260476.db2.gz SNQFYOJRVSWROI-LBPRGKRZSA-N 2 2 262.357 0.952 20 0 CCADLP C[C@@H](O)CNc1cc(N2CC[C@@H]([NH+]3CC=CC3)C2)nc[nH+]1 ZINC000298809992 353971722 /nfs/dbraw/zinc/97/17/22/353971722.db2.gz FVUDDHVYSAYCLS-CHWSQXEVSA-N 2 2 289.383 0.720 20 0 CCADLP CCOC(=O)N1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000299061166 353987032 /nfs/dbraw/zinc/98/70/32/353987032.db2.gz STMYCTTUEVVGQL-UHFFFAOYSA-N 2 2 266.345 0.966 20 0 CCADLP C[C@@H](O)CNc1cc(N2CC[N@@H+]3CCC[C@H]3C2)nc[nH+]1 ZINC000298176298 353962056 /nfs/dbraw/zinc/96/20/56/353962056.db2.gz GGABCZZDXJTOMG-NEPJUHHUSA-N 2 2 277.372 0.554 20 0 CCADLP C[C@@H](O)CNc1cc(N2CC[N@H+]3CCC[C@H]3C2)nc[nH+]1 ZINC000298176298 353962059 /nfs/dbraw/zinc/96/20/59/353962059.db2.gz GGABCZZDXJTOMG-NEPJUHHUSA-N 2 2 277.372 0.554 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000299485820 354020262 /nfs/dbraw/zinc/02/02/62/354020262.db2.gz IWPBUYABENNTRX-LLVKDONJSA-N 2 2 276.344 0.776 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)NCCn1cc[nH+]c1 ZINC000299497696 354021625 /nfs/dbraw/zinc/02/16/25/354021625.db2.gz RFLZGGIGAASUCD-UHFFFAOYSA-N 2 2 262.317 0.387 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000305113001 354131281 /nfs/dbraw/zinc/13/12/81/354131281.db2.gz GRTZJOWWNIWTTO-KBUPBQIOSA-N 3 2 269.433 0.761 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000305113001 354131284 /nfs/dbraw/zinc/13/12/84/354131284.db2.gz GRTZJOWWNIWTTO-KBUPBQIOSA-N 3 2 269.433 0.761 20 0 CCADLP CC(C)[C@@H]([NH3+])c1cn(CC[NH+]2CCOCC2)nn1 ZINC000305916123 354168372 /nfs/dbraw/zinc/16/83/72/354168372.db2.gz KHHHLSUCYGCTDS-GFCCVEGCSA-N 2 2 253.350 0.266 20 0 CCADLP CC(C)[C@H]([NH3+])c1cn(CC[NH+]2CCOCC2)nn1 ZINC000305916129 354168861 /nfs/dbraw/zinc/16/88/61/354168861.db2.gz KHHHLSUCYGCTDS-LBPRGKRZSA-N 2 2 253.350 0.266 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCC[NH+]2CCCCC2)[C@H](C[NH3+])C1 ZINC000557135729 291023463 /nfs/dbraw/zinc/02/34/63/291023463.db2.gz NOAPRJPLNOPDNT-CQSZACIVSA-N 3 2 297.447 0.147 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCC[NH+]2CCCCC2)[C@H](C[NH3+])C1 ZINC000557135729 291023467 /nfs/dbraw/zinc/02/34/67/291023467.db2.gz NOAPRJPLNOPDNT-CQSZACIVSA-N 3 2 297.447 0.147 20 0 CCADLP CCCN(C(=O)N[C@H](C)C[NH+]1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000557115964 291022519 /nfs/dbraw/zinc/02/25/19/291022519.db2.gz FZHZZPOSAQCLCV-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CCCN(C(=O)[C@@H](C)[NH+]1CCN(C)CC1)C1CC[NH2+]CC1 ZINC000517148884 283014995 /nfs/dbraw/zinc/01/49/95/283014995.db2.gz NNCARMHBNVLYPT-CQSZACIVSA-N 2 2 296.459 0.613 20 0 CCADLP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cn[nH]c1 ZINC000330491637 354379219 /nfs/dbraw/zinc/37/92/19/354379219.db2.gz HTNMJBJERINWKX-NSHDSACASA-N 2 2 252.362 0.907 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)N[C@@H](C)Cn2cc[nH+]c2)[N@H+](C)C1 ZINC000330508684 354386393 /nfs/dbraw/zinc/38/63/93/354386393.db2.gz ASLLTPFMQOXIEY-SRVKXCTJSA-N 2 2 266.345 0.107 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)N[C@@H](C)Cn2cc[nH+]c2)[N@@H+](C)C1 ZINC000330508684 354386395 /nfs/dbraw/zinc/38/63/95/354386395.db2.gz ASLLTPFMQOXIEY-SRVKXCTJSA-N 2 2 266.345 0.107 20 0 CCADLP C[C@@H](CNC(=O)C[NH2+]C1CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488074 412590599 /nfs/dbraw/zinc/59/05/99/412590599.db2.gz SQJLEZSXBWESDH-SDDRHHMPSA-N 2 2 269.389 0.352 20 0 CCADLP C[C@@H](CNC(=O)C[NH2+]C1CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488074 412590602 /nfs/dbraw/zinc/59/06/02/412590602.db2.gz SQJLEZSXBWESDH-SDDRHHMPSA-N 2 2 269.389 0.352 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000330843497 354427794 /nfs/dbraw/zinc/42/77/94/354427794.db2.gz BKBVDSHALQAUEX-UHFFFAOYSA-N 2 2 291.399 0.775 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000330843497 354427797 /nfs/dbraw/zinc/42/77/97/354427797.db2.gz BKBVDSHALQAUEX-UHFFFAOYSA-N 2 2 291.399 0.775 20 0 CCADLP CC(=O)[C@@](C)(O)C[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000331304265 354526580 /nfs/dbraw/zinc/52/65/80/354526580.db2.gz FTJBLISFXBTPGU-HNNXBMFYSA-N 2 2 277.368 0.852 20 0 CCADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCc1[nH]cc[nH+]1 ZINC000332292821 354641186 /nfs/dbraw/zinc/64/11/86/354641186.db2.gz HVURXFWGSBLBNT-QWRGUYRKSA-N 2 2 250.346 0.941 20 0 CCADLP CN(C)C(=O)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000557592726 291037218 /nfs/dbraw/zinc/03/72/18/291037218.db2.gz FRZQUJISVFOVIH-UHFFFAOYSA-N 2 2 265.361 0.572 20 0 CCADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@H+](C)CC(N)=O ZINC000332642239 354708938 /nfs/dbraw/zinc/70/89/38/354708938.db2.gz BBFKYQGDBDWGTK-QWRGUYRKSA-N 2 2 283.351 0.800 20 0 CCADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)CC(N)=O ZINC000332642239 354708944 /nfs/dbraw/zinc/70/89/44/354708944.db2.gz BBFKYQGDBDWGTK-QWRGUYRKSA-N 2 2 283.351 0.800 20 0 CCADLP Cn1cc([C@@H]2C[N@H+](CC[C@H]3CC[NH2+]C3)C[C@H]2[NH3+])cn1 ZINC000333654252 354770718 /nfs/dbraw/zinc/77/07/18/354770718.db2.gz ZPMUSBGOJBAMDN-KWCYVHTRSA-N 3 2 263.389 0.146 20 0 CCADLP Cn1cc([C@@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)C[C@H]2[NH3+])cn1 ZINC000333654252 354770722 /nfs/dbraw/zinc/77/07/22/354770722.db2.gz ZPMUSBGOJBAMDN-KWCYVHTRSA-N 3 2 263.389 0.146 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000333705473 354779429 /nfs/dbraw/zinc/77/94/29/354779429.db2.gz DVSFPABKBVLAGO-XQQFMLRXSA-N 2 2 284.404 0.004 20 0 CCADLP Cn1cc(N2CC[N@H+](CC[C@H]3CCC[NH2+]C3)CC2=O)cn1 ZINC000333863513 354806825 /nfs/dbraw/zinc/80/68/25/354806825.db2.gz QKLFWLWDIFXACM-CYBMUJFWSA-N 2 2 291.399 0.458 20 0 CCADLP Cn1cc(N2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)CC2=O)cn1 ZINC000333863513 354806829 /nfs/dbraw/zinc/80/68/29/354806829.db2.gz QKLFWLWDIFXACM-CYBMUJFWSA-N 2 2 291.399 0.458 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000333863332 354807108 /nfs/dbraw/zinc/80/71/08/354807108.db2.gz ZVMOALXHDVTNLY-MCIONIFRSA-N 2 2 298.431 0.394 20 0 CCADLP C[C@H](C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1)[NH+]1CC(C)C1 ZINC000557667510 291041861 /nfs/dbraw/zinc/04/18/61/291041861.db2.gz MUCMDOALKOMWSP-LSDHHAIUSA-N 2 2 296.459 0.469 20 0 CCADLP C[C@H](C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1)[NH+]1CC(C)C1 ZINC000557667510 291041863 /nfs/dbraw/zinc/04/18/63/291041863.db2.gz MUCMDOALKOMWSP-LSDHHAIUSA-N 2 2 296.459 0.469 20 0 CCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[NH+](CC2CC2)CC1 ZINC000334500168 354877378 /nfs/dbraw/zinc/87/73/78/354877378.db2.gz QDTRZCWFLVHUMT-CQSZACIVSA-N 2 2 288.395 1.000 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000334044203 354841469 /nfs/dbraw/zinc/84/14/69/354841469.db2.gz DMIDIURDOGTDFJ-RYUDHWBXSA-N 2 2 284.404 0.637 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000334044203 354841471 /nfs/dbraw/zinc/84/14/71/354841471.db2.gz DMIDIURDOGTDFJ-RYUDHWBXSA-N 2 2 284.404 0.637 20 0 CCADLP CCNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000334044203 354841474 /nfs/dbraw/zinc/84/14/74/354841474.db2.gz DMIDIURDOGTDFJ-RYUDHWBXSA-N 2 2 284.404 0.637 20 0 CCADLP CCNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000334044203 354841477 /nfs/dbraw/zinc/84/14/77/354841477.db2.gz DMIDIURDOGTDFJ-RYUDHWBXSA-N 2 2 284.404 0.637 20 0 CCADLP COC[C@@H](CC(C)(C)C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000655496037 412597568 /nfs/dbraw/zinc/59/75/68/412597568.db2.gz AKNWRULUAIKDAZ-VXGBXAGGSA-N 2 2 273.421 0.833 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000334058922 354846277 /nfs/dbraw/zinc/84/62/77/354846277.db2.gz WARUCOPQQLGJCC-GHMZBOCLSA-N 2 2 293.371 0.823 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000334058922 354846281 /nfs/dbraw/zinc/84/62/81/354846281.db2.gz WARUCOPQQLGJCC-GHMZBOCLSA-N 2 2 293.371 0.823 20 0 CCADLP CN(C(=O)[C@H]1CC(F)(F)C[NH2+]1)C1CC[NH+](C)CC1 ZINC000334626114 354913408 /nfs/dbraw/zinc/91/34/08/354913408.db2.gz RZEQBHXAKJMAAT-SNVBAGLBSA-N 2 2 261.316 0.536 20 0 CCADLP O=C(NC[C@@H]1CC[NH2+]C1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000423548167 235004908 /nfs/dbraw/zinc/00/49/08/235004908.db2.gz DRKUPMOXKBMTTD-ZIAGYGMSSA-N 2 2 281.400 0.213 20 0 CCADLP O=C(NC[C@@H]1CC[NH2+]C1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000423548167 235004912 /nfs/dbraw/zinc/00/49/12/235004912.db2.gz DRKUPMOXKBMTTD-ZIAGYGMSSA-N 2 2 281.400 0.213 20 0 CCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)/C=C/c3[nH]cc[nH+]3)[C@H]2C1 ZINC000493115083 283061724 /nfs/dbraw/zinc/06/17/24/283061724.db2.gz IBZIEHHSDJBVDH-FQVTYBBZSA-N 2 2 260.341 0.976 20 0 CCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)/C=C/c3[nH]cc[nH+]3)[C@H]2C1 ZINC000493115083 283061726 /nfs/dbraw/zinc/06/17/26/283061726.db2.gz IBZIEHHSDJBVDH-FQVTYBBZSA-N 2 2 260.341 0.976 20 0 CCADLP Cc1cccn2cc(CNC(=O)[C@H]3C[C@@H]([NH3+])C3)[nH+]c12 ZINC000335464715 354998018 /nfs/dbraw/zinc/99/80/18/354998018.db2.gz MCQQVBNRDKPBPC-PHIMTYICSA-N 2 2 258.325 0.996 20 0 CCADLP C[C@@H](C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2)[NH+]1CCSCC1 ZINC000335833745 355023845 /nfs/dbraw/zinc/02/38/45/355023845.db2.gz FKWMKFPSUNDWCB-GXTWGEPZSA-N 2 2 297.468 0.976 20 0 CCADLP O=C(C[C@@H]1CCC[NH2+]CC1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000423763063 235065316 /nfs/dbraw/zinc/06/53/16/235065316.db2.gz TZNPEJKULJOMAV-UKRRQHHQSA-N 2 2 295.427 0.746 20 0 CCADLP O=C(C[C@@H]1CCC[NH2+]CC1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000423763063 235065324 /nfs/dbraw/zinc/06/53/24/235065324.db2.gz TZNPEJKULJOMAV-UKRRQHHQSA-N 2 2 295.427 0.746 20 0 CCADLP C[C@@]1(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC[NH2+]C1 ZINC000423803285 235087110 /nfs/dbraw/zinc/08/71/10/235087110.db2.gz PONGIJJNLWXRTP-IUODEOHRSA-N 2 2 274.368 0.776 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000423813100 235089094 /nfs/dbraw/zinc/08/90/94/235089094.db2.gz DKKPENRZSDMEFQ-AAEUAGOBSA-N 2 2 297.424 0.927 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000336596343 355118016 /nfs/dbraw/zinc/11/80/16/355118016.db2.gz HULUGZGLEZPJJJ-CYBMUJFWSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@@H]1CC[C@H](C[NH+]2CCC([N@H+](C)CCO)CC2)O1 ZINC000336783686 355156691 /nfs/dbraw/zinc/15/66/91/355156691.db2.gz FFBYELDDQBQTHF-TZMCWYRMSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@@H]1CC[C@H](C[NH+]2CCC([N@@H+](C)CCO)CC2)O1 ZINC000336783686 355156692 /nfs/dbraw/zinc/15/66/92/355156692.db2.gz FFBYELDDQBQTHF-TZMCWYRMSA-N 2 2 256.390 0.942 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)C(C)C ZINC000336833551 355207367 /nfs/dbraw/zinc/20/73/67/355207367.db2.gz OOTKQOFACLZXMT-SFDCQRBFSA-N 2 2 281.400 0.385 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)C(C)C ZINC000336833551 355207368 /nfs/dbraw/zinc/20/73/68/355207368.db2.gz OOTKQOFACLZXMT-SFDCQRBFSA-N 2 2 281.400 0.385 20 0 CCADLP O=C1[C@@H]([N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CCN1C1CC1 ZINC000336837854 355208907 /nfs/dbraw/zinc/20/89/07/355208907.db2.gz FXALDZIROPYPCG-ZFWWWQNUSA-N 2 2 293.411 0.404 20 0 CCADLP O=C1[C@@H]([N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CCN1C1CC1 ZINC000336837854 355208911 /nfs/dbraw/zinc/20/89/11/355208911.db2.gz FXALDZIROPYPCG-ZFWWWQNUSA-N 2 2 293.411 0.404 20 0 CCADLP C(C[NH+]1CCOCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000336799462 355172745 /nfs/dbraw/zinc/17/27/45/355172745.db2.gz IQJVPVSJGKKIFN-OAHLLOKOSA-N 2 2 267.417 0.736 20 0 CCADLP C[C@@H]1C[C@@H]([NH+](C)CCN2CCCS2(=O)=O)CC[N@@H+]1C ZINC000336800179 355174755 /nfs/dbraw/zinc/17/47/55/355174755.db2.gz LFURRYXUVPQWBY-OLZOCXBDSA-N 2 2 289.445 0.436 20 0 CCADLP C[C@@H]1C[C@@H]([NH+](C)CCN2CCCS2(=O)=O)CC[N@H+]1C ZINC000336800179 355174757 /nfs/dbraw/zinc/17/47/57/355174757.db2.gz LFURRYXUVPQWBY-OLZOCXBDSA-N 2 2 289.445 0.436 20 0 CCADLP C[C@@H]1C[C@@H]([N@H+](C)CCN2CCCS2(=O)=O)CC[NH+]1C ZINC000336800179 355174758 /nfs/dbraw/zinc/17/47/58/355174758.db2.gz LFURRYXUVPQWBY-OLZOCXBDSA-N 2 2 289.445 0.436 20 0 CCADLP C[C@@H]1C[C@@H]([N@@H+](C)CCN2CCCS2(=O)=O)CC[NH+]1C ZINC000336800179 355174760 /nfs/dbraw/zinc/17/47/60/355174760.db2.gz LFURRYXUVPQWBY-OLZOCXBDSA-N 2 2 289.445 0.436 20 0 CCADLP [NH3+][C@@H](C(=O)NC[C@H]1CC[NH2+]CC1(F)F)C1CCC1 ZINC000424188249 235172242 /nfs/dbraw/zinc/17/22/42/235172242.db2.gz JGONGIAXCYGTPF-NXEZZACHSA-N 2 2 261.316 0.475 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)N(C)Cc1[nH+]ccn1C ZINC000271814288 191342739 /nfs/dbraw/zinc/34/27/39/191342739.db2.gz RHSANKXTTQULML-UHFFFAOYSA-N 2 2 297.403 0.530 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)N(C)Cc1[nH+]ccn1C ZINC000271814288 191342740 /nfs/dbraw/zinc/34/27/40/191342740.db2.gz RHSANKXTTQULML-UHFFFAOYSA-N 2 2 297.403 0.530 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(N2CCCC2=O)CC1)C1CC1 ZINC000336850812 355218690 /nfs/dbraw/zinc/21/86/90/355218690.db2.gz ZLPOCQXNRPHFPZ-OAHLLOKOSA-N 2 2 295.427 0.528 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(N2CCCC2=O)CC1)C1CC1 ZINC000336850812 355218694 /nfs/dbraw/zinc/21/86/94/355218694.db2.gz ZLPOCQXNRPHFPZ-OAHLLOKOSA-N 2 2 295.427 0.528 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCCC[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000167685432 299229567 /nfs/dbraw/zinc/22/95/67/299229567.db2.gz ZHUSPZFCTIVYGE-RWMBFGLXSA-N 2 2 269.389 0.354 20 0 CCADLP CC1CC[NH+](CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC000558644196 291064569 /nfs/dbraw/zinc/06/45/69/291064569.db2.gz PVOMRNYDZQVUBZ-UHFFFAOYSA-N 2 2 250.346 0.731 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000338427092 355344952 /nfs/dbraw/zinc/34/49/52/355344952.db2.gz VGNBRCWNNDLRLL-LBPRGKRZSA-N 2 2 257.378 0.164 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000338427092 355344955 /nfs/dbraw/zinc/34/49/55/355344955.db2.gz VGNBRCWNNDLRLL-LBPRGKRZSA-N 2 2 257.378 0.164 20 0 CCADLP COCCCn1nccc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000338436132 355347812 /nfs/dbraw/zinc/34/78/12/355347812.db2.gz CRXLNAIYPHWLEA-AWEZNQCLSA-N 2 2 282.388 0.076 20 0 CCADLP COCCCn1nccc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000338436132 355347813 /nfs/dbraw/zinc/34/78/13/355347813.db2.gz CRXLNAIYPHWLEA-AWEZNQCLSA-N 2 2 282.388 0.076 20 0 CCADLP CC[N@H+](CCNC(=O)[C@@H](C)[NH+]1CCOCC1)C(C)C ZINC000338767896 355415901 /nfs/dbraw/zinc/41/59/01/355415901.db2.gz RSPSAMGBTGCOSJ-CYBMUJFWSA-N 2 2 271.405 0.554 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@@H](C)[NH+]1CCOCC1)C(C)C ZINC000338767896 355415904 /nfs/dbraw/zinc/41/59/04/355415904.db2.gz RSPSAMGBTGCOSJ-CYBMUJFWSA-N 2 2 271.405 0.554 20 0 CCADLP COC(C)(C)[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000340476329 355559587 /nfs/dbraw/zinc/55/95/87/355559587.db2.gz UFTIXDXHYNTACM-VXGBXAGGSA-N 2 2 271.405 0.729 20 0 CCADLP COC(C)(C)[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000340476329 355559588 /nfs/dbraw/zinc/55/95/88/355559588.db2.gz UFTIXDXHYNTACM-VXGBXAGGSA-N 2 2 271.405 0.729 20 0 CCADLP C[C@H](O)C[C@H](C)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000341290310 355646473 /nfs/dbraw/zinc/64/64/73/355646473.db2.gz GKKDSBBCMHCFTD-GJZGRUSLSA-N 2 2 299.459 0.532 20 0 CCADLP C[C@H](O)C[C@H](C)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000341290310 355646475 /nfs/dbraw/zinc/64/64/75/355646475.db2.gz GKKDSBBCMHCFTD-GJZGRUSLSA-N 2 2 299.459 0.532 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000341691073 355715939 /nfs/dbraw/zinc/71/59/39/355715939.db2.gz DVHDKCLGRNUGMV-OLZOCXBDSA-N 2 2 291.461 0.035 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCC[NH2+][C@H]1C)[NH+]1CCOCC1 ZINC000342766523 355741525 /nfs/dbraw/zinc/74/15/25/355741525.db2.gz VRCJQYMBRXZSFZ-FRRDWIJNSA-N 2 2 269.389 0.211 20 0 CCADLP Cc1c[nH+]c(CN2CC[NH+](C[C@@H](C)O)CC2)n1C ZINC000342769126 355742467 /nfs/dbraw/zinc/74/24/67/355742467.db2.gz PUGIWVDXCUXNCM-GFCCVEGCSA-N 2 2 252.362 0.227 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(Cc2[nH+]cc(C)n2C)CC1 ZINC000342792223 355747556 /nfs/dbraw/zinc/74/75/56/355747556.db2.gz PQPXYZUQASMTNG-CYBMUJFWSA-N 2 2 266.389 0.617 20 0 CCADLP Cc1c[nH+]c(CN2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)n1C ZINC000342796232 355748715 /nfs/dbraw/zinc/74/87/15/355748715.db2.gz JPGVSOGGZBIQKP-STQMWFEESA-N 2 2 266.389 0.615 20 0 CCADLP Cc1c[nH+]c(CN2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)n1C ZINC000342796232 355748717 /nfs/dbraw/zinc/74/87/17/355748717.db2.gz JPGVSOGGZBIQKP-STQMWFEESA-N 2 2 266.389 0.615 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)CC(N)=O)CC1 ZINC000342803102 355749821 /nfs/dbraw/zinc/74/98/21/355749821.db2.gz USSVXKOPLOLEEN-LLVKDONJSA-N 2 2 285.388 0.258 20 0 CCADLP COC(=O)c1cn(CC[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)nn1 ZINC000342830513 355754865 /nfs/dbraw/zinc/75/48/65/355754865.db2.gz VTWAYTWPQMUJTN-CMPLNLGQSA-N 2 2 293.371 0.137 20 0 CCADLP COC(=O)c1cn(CC[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)nn1 ZINC000342830513 355754866 /nfs/dbraw/zinc/75/48/66/355754866.db2.gz VTWAYTWPQMUJTN-CMPLNLGQSA-N 2 2 293.371 0.137 20 0 CCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000345376791 355809161 /nfs/dbraw/zinc/80/91/61/355809161.db2.gz CIZRZUDSAORRLB-KOLCDFICSA-N 2 2 286.326 0.941 20 0 CCADLP C[C@H]1C[NH+](CCN(C)C(=O)CCn2cc[nH+]c2)C[C@H](C)O1 ZINC000345411581 355819353 /nfs/dbraw/zinc/81/93/53/355819353.db2.gz LTWGQYWOKUBDFZ-KBPBESRZSA-N 2 2 294.399 0.841 20 0 CCADLP C[NH+](C)Cc1nc(CC2=[NH+][C@@H]3CCCC[C@@H]3N2)no1 ZINC000350659188 355997636 /nfs/dbraw/zinc/99/76/36/355997636.db2.gz PWRWMHMPTKCESE-AOOOYVTPSA-N 2 2 263.345 0.987 20 0 CCADLP COCCc1noc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1 ZINC000351488100 356001702 /nfs/dbraw/zinc/00/17/02/356001702.db2.gz DQAMAZPCMXKKJQ-DCAQKATOSA-N 2 2 266.345 0.428 20 0 CCADLP COCCc1noc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1 ZINC000351488100 356001707 /nfs/dbraw/zinc/00/17/07/356001707.db2.gz DQAMAZPCMXKKJQ-DCAQKATOSA-N 2 2 266.345 0.428 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC[N@H+](C)C1CC1 ZINC000352606055 356029437 /nfs/dbraw/zinc/02/94/37/356029437.db2.gz UEAUACSKPYSEFZ-NSHDSACASA-N 2 2 265.361 0.665 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC[N@@H+](C)C1CC1 ZINC000352606055 356029440 /nfs/dbraw/zinc/02/94/40/356029440.db2.gz UEAUACSKPYSEFZ-NSHDSACASA-N 2 2 265.361 0.665 20 0 CCADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCCCNC2=O)s1 ZINC000352737649 356067596 /nfs/dbraw/zinc/06/75/96/356067596.db2.gz KUZFEWVZZRVLPM-NSHDSACASA-N 2 2 282.413 0.963 20 0 CCADLP Cc1cn[nH]c1C[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000352854668 356097544 /nfs/dbraw/zinc/09/75/44/356097544.db2.gz RFROMRPBCSKZNJ-CYBMUJFWSA-N 2 2 266.389 0.901 20 0 CCADLP C[NH+](C)C1CN(c2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000353289987 356196382 /nfs/dbraw/zinc/19/63/82/356196382.db2.gz FTVHZQGYEZSJRL-UHFFFAOYSA-N 2 2 263.345 0.063 20 0 CCADLP C[N@H+](Cc1ccc(C(N)=O)cc1)C1CC[NH+](CCO)CC1 ZINC000353359466 356209354 /nfs/dbraw/zinc/20/93/54/356209354.db2.gz AWMPICMWMXCADE-UHFFFAOYSA-N 2 2 291.395 0.674 20 0 CCADLP C[N@@H+](Cc1ccc(C(N)=O)cc1)C1CC[NH+](CCO)CC1 ZINC000353359466 356209355 /nfs/dbraw/zinc/20/93/55/356209355.db2.gz AWMPICMWMXCADE-UHFFFAOYSA-N 2 2 291.395 0.674 20 0 CCADLP COCCOCC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000360790787 138010605 /nfs/dbraw/zinc/01/06/05/138010605.db2.gz IVEDIZZWDHXWCD-AWEZNQCLSA-N 2 2 299.415 0.064 20 0 CCADLP COCCOCC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000360790787 138010606 /nfs/dbraw/zinc/01/06/06/138010606.db2.gz IVEDIZZWDHXWCD-AWEZNQCLSA-N 2 2 299.415 0.064 20 0 CCADLP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC[N@@H+]1C ZINC000360819669 138011765 /nfs/dbraw/zinc/01/17/65/138011765.db2.gz SZBISRWPDUGOSD-GMTAPVOTSA-N 2 2 275.343 0.925 20 0 CCADLP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC[N@H+]1C ZINC000360819669 138011766 /nfs/dbraw/zinc/01/17/66/138011766.db2.gz SZBISRWPDUGOSD-GMTAPVOTSA-N 2 2 275.343 0.925 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C[N@@H+]1C1CC1 ZINC000360818876 138011784 /nfs/dbraw/zinc/01/17/84/138011784.db2.gz PBCCSRRJEKJBOL-KKZNHRDASA-N 2 2 273.327 0.725 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C[N@H+]1C1CC1 ZINC000360818876 138011785 /nfs/dbraw/zinc/01/17/85/138011785.db2.gz PBCCSRRJEKJBOL-KKZNHRDASA-N 2 2 273.327 0.725 20 0 CCADLP CC[NH+]1CCN(CCCNC(=O)Cn2cc[nH+]c2)CC1 ZINC000608763639 363461420 /nfs/dbraw/zinc/46/14/20/363461420.db2.gz XZCRIOSKLAWPQW-UHFFFAOYSA-N 2 2 279.388 0.027 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000353815568 356299537 /nfs/dbraw/zinc/29/95/37/356299537.db2.gz NLRNYHLFHWMWED-XQQFMLRXSA-N 2 2 269.389 0.067 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000353815568 356299539 /nfs/dbraw/zinc/29/95/39/356299539.db2.gz NLRNYHLFHWMWED-XQQFMLRXSA-N 2 2 269.389 0.067 20 0 CCADLP CC(C)[C@](C)(O)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000353932045 356317434 /nfs/dbraw/zinc/31/74/34/356317434.db2.gz KYKBCSJAMFKVGQ-HNNXBMFYSA-N 2 2 285.432 0.536 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCOC[C@@H]1C[C@@H](C)O ZINC000362270746 138052835 /nfs/dbraw/zinc/05/28/35/138052835.db2.gz QBQLXVRINNPXSH-YPMHNXCESA-N 2 2 253.346 0.663 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCOC[C@@H]1C[C@@H](C)O ZINC000362270746 138052836 /nfs/dbraw/zinc/05/28/36/138052836.db2.gz QBQLXVRINNPXSH-YPMHNXCESA-N 2 2 253.346 0.663 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000362396265 138056851 /nfs/dbraw/zinc/05/68/51/138056851.db2.gz NGXZPAWDTJJZIA-ZDUSSCGKSA-N 2 2 260.341 0.140 20 0 CCADLP COC(=O)C(C)(C)CC[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000354330885 356390915 /nfs/dbraw/zinc/39/09/15/356390915.db2.gz BHIHMGXWNOXKEL-LBPRGKRZSA-N 2 2 299.415 0.505 20 0 CCADLP COC(=O)C(C)(C)CC[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000354330885 356390917 /nfs/dbraw/zinc/39/09/17/356390917.db2.gz BHIHMGXWNOXKEL-LBPRGKRZSA-N 2 2 299.415 0.505 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CCc2cccnc2)C1 ZINC000362826814 138076152 /nfs/dbraw/zinc/07/61/52/138076152.db2.gz PWCZOPJBRHHRPQ-HNNXBMFYSA-N 2 2 288.395 0.520 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CCc2cccnc2)C1 ZINC000362826814 138076153 /nfs/dbraw/zinc/07/61/53/138076153.db2.gz PWCZOPJBRHHRPQ-HNNXBMFYSA-N 2 2 288.395 0.520 20 0 CCADLP Cn1cccc1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000363245040 138088762 /nfs/dbraw/zinc/08/87/62/138088762.db2.gz DRIWXXAVMXWDSM-HNNXBMFYSA-N 2 2 292.427 0.521 20 0 CCADLP Cc1ccc(CCC[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)c[nH+]1 ZINC000354930213 356531408 /nfs/dbraw/zinc/53/14/08/356531408.db2.gz XBLASZDFWIGVSB-CYBMUJFWSA-N 2 2 283.397 0.685 20 0 CCADLP Cc1ccc(CCC[N@H+]2CC[C@@H](S(N)(=O)=O)C2)c[nH+]1 ZINC000354930213 356531412 /nfs/dbraw/zinc/53/14/12/356531412.db2.gz XBLASZDFWIGVSB-CYBMUJFWSA-N 2 2 283.397 0.685 20 0 CCADLP COC[C@H](C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354983064 356542930 /nfs/dbraw/zinc/54/29/30/356542930.db2.gz IWMUTHJKDIMSRM-KBPBESRZSA-N 2 2 297.443 0.896 20 0 CCADLP COC[C@H](C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354983064 356542932 /nfs/dbraw/zinc/54/29/32/356542932.db2.gz IWMUTHJKDIMSRM-KBPBESRZSA-N 2 2 297.443 0.896 20 0 CCADLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)N3CCNC3=O)C2)C1 ZINC000328751578 202041136 /nfs/dbraw/zinc/04/11/36/202041136.db2.gz CLPIFRSCYSEAQI-AWEZNQCLSA-N 2 2 280.372 0.160 20 0 CCADLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)N3CCNC3=O)C2)C1 ZINC000328751578 202041139 /nfs/dbraw/zinc/04/11/39/202041139.db2.gz CLPIFRSCYSEAQI-AWEZNQCLSA-N 2 2 280.372 0.160 20 0 CCADLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)N3CCNC3=O)C2)C1 ZINC000328751578 202041141 /nfs/dbraw/zinc/04/11/41/202041141.db2.gz CLPIFRSCYSEAQI-AWEZNQCLSA-N 2 2 280.372 0.160 20 0 CCADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)N3CCNC3=O)C2)C1 ZINC000328751578 202041144 /nfs/dbraw/zinc/04/11/44/202041144.db2.gz CLPIFRSCYSEAQI-AWEZNQCLSA-N 2 2 280.372 0.160 20 0 CCADLP C[NH+](C)CCCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000560986608 291115157 /nfs/dbraw/zinc/11/51/57/291115157.db2.gz MRPZLLXFMATASG-UHFFFAOYSA-N 2 2 289.339 0.341 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000328984292 202140515 /nfs/dbraw/zinc/14/05/15/202140515.db2.gz STAFZYJTWNRBLI-NEPJUHHUSA-N 2 2 263.345 0.494 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C ZINC000328984292 202140518 /nfs/dbraw/zinc/14/05/18/202140518.db2.gz STAFZYJTWNRBLI-NEPJUHHUSA-N 2 2 263.345 0.494 20 0 CCADLP C[C@H](CNC(=O)NCC[NH+]1CCOCC1)[N@H+](C)C1CC1 ZINC000356127707 356707961 /nfs/dbraw/zinc/70/79/61/356707961.db2.gz DUHCQYZZEZALFL-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H](CNC(=O)NCC[NH+]1CCOCC1)[N@@H+](C)C1CC1 ZINC000356127707 356707967 /nfs/dbraw/zinc/70/79/67/356707967.db2.gz 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356798146 /nfs/dbraw/zinc/79/81/46/356798146.db2.gz IPJDKYQCZKARJL-RYUDHWBXSA-N 2 2 295.333 0.732 20 0 CCADLP COC1(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CCCC1 ZINC000359713152 356876736 /nfs/dbraw/zinc/87/67/36/356876736.db2.gz AXIXBNKLYRMTJM-ZDUSSCGKSA-N 2 2 283.416 0.875 20 0 CCADLP COC1(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CCCC1 ZINC000359713152 356876738 /nfs/dbraw/zinc/87/67/38/356876738.db2.gz AXIXBNKLYRMTJM-ZDUSSCGKSA-N 2 2 283.416 0.875 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)c2cc(C[NH+](C)C)on2)CC[N@H+]1C ZINC000359568115 356846975 /nfs/dbraw/zinc/84/69/75/356846975.db2.gz WFZOBWQMYBVJEC-MNOVXSKESA-N 2 2 280.372 0.901 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)c2cc(C[NH+](C)C)on2)CC[N@@H+]1C ZINC000359568115 356846979 /nfs/dbraw/zinc/84/69/79/356846979.db2.gz WFZOBWQMYBVJEC-MNOVXSKESA-N 2 2 280.372 0.901 20 0 CCADLP CC(C)NC(=O)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655682417 412645503 /nfs/dbraw/zinc/64/55/03/412645503.db2.gz FBTIUGFSBRSYDD-CYBMUJFWSA-N 2 2 269.389 0.354 20 0 CCADLP O[C@H]1CCC[C@@H]1[NH+]1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000360277642 356983024 /nfs/dbraw/zinc/98/30/24/356983024.db2.gz BFTKVGTVQCSLGS-STQMWFEESA-N 2 2 287.367 0.993 20 0 CCADLP CN1C[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1=O ZINC000655704918 412646901 /nfs/dbraw/zinc/64/69/01/412646901.db2.gz QFFFPFQJEMSXHC-STQMWFEESA-N 2 2 267.373 0.060 20 0 CCADLP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360549541 357039073 /nfs/dbraw/zinc/03/90/73/357039073.db2.gz FYVFMRVEMSKRJE-AWEZNQCLSA-N 2 2 251.374 0.540 20 0 CCADLP CN(CC1CC1)C(=O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360549541 357039077 /nfs/dbraw/zinc/03/90/77/357039077.db2.gz FYVFMRVEMSKRJE-AWEZNQCLSA-N 2 2 251.374 0.540 20 0 CCADLP CNS(=O)(=O)[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000364618297 357126413 /nfs/dbraw/zinc/12/64/13/357126413.db2.gz XBXZGSQNFOVMCC-CYBMUJFWSA-N 2 2 289.445 0.486 20 0 CCADLP CNS(=O)(=O)[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000364618297 357126416 /nfs/dbraw/zinc/12/64/16/357126416.db2.gz 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Cc1c[nH+]ccc1NC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000455033298 236320875 /nfs/dbraw/zinc/32/08/75/236320875.db2.gz LICMTYNGFNBUSD-BETUJISGSA-N 2 2 292.383 0.731 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000455033298 236320878 /nfs/dbraw/zinc/32/08/78/236320878.db2.gz LICMTYNGFNBUSD-BETUJISGSA-N 2 2 292.383 0.731 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCN2CC[NH2+]CC2)C[N@@H+]1C1CC1 ZINC000423207817 358197336 /nfs/dbraw/zinc/19/73/36/358197336.db2.gz SHGLIKWZPMTWOO-OLZOCXBDSA-N 3 2 252.406 0.106 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCN2CC[NH2+]CC2)C[N@H+]1C1CC1 ZINC000423207817 358197340 /nfs/dbraw/zinc/19/73/40/358197340.db2.gz SHGLIKWZPMTWOO-OLZOCXBDSA-N 3 2 252.406 0.106 20 0 CCADLP OC[C@H](C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)C1CC1 ZINC000423141192 358197374 /nfs/dbraw/zinc/19/73/74/358197374.db2.gz ONGQAQWBGDAAAX-MJBXVCDLSA-N 2 2 254.374 0.362 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000423194999 358197456 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COc1cc([C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)ccn1 ZINC000562376366 291148389 /nfs/dbraw/zinc/14/83/89/291148389.db2.gz QYWLNGZDCNUWJI-ZYHUDNBSSA-N 2 2 253.346 0.663 20 0 CCADLP Cc1nc(NCC[N@H+]2CC=CCC2)nc(N(C)C)[nH+]1 ZINC000530536919 358406142 /nfs/dbraw/zinc/40/61/42/358406142.db2.gz FIRHFWNYPRYEJO-UHFFFAOYSA-N 2 2 262.361 0.342 20 0 CCADLP Cc1nc(NCC[N@@H+]2CC=CCC2)nc(N(C)C)[nH+]1 ZINC000530536919 358406146 /nfs/dbraw/zinc/40/61/46/358406146.db2.gz FIRHFWNYPRYEJO-UHFFFAOYSA-N 2 2 262.361 0.342 20 0 CCADLP CC1([NH+]2CCOCC2)CC[NH+](CCOCC[NH3+])CC1 ZINC000530231750 358384101 /nfs/dbraw/zinc/38/41/01/358384101.db2.gz LRUVBSOLXVUKEQ-UHFFFAOYSA-N 3 2 271.405 0.148 20 0 CCADLP CCCNC(=O)NC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420372034 283376718 /nfs/dbraw/zinc/37/67/18/283376718.db2.gz XOMIWYWTNKIMKM-SECBINFHSA-N 2 2 258.366 0.185 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000531056573 358438339 /nfs/dbraw/zinc/43/83/39/358438339.db2.gz TVUHJYBXXQZEIN-MJBXVCDLSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000531056573 358438345 /nfs/dbraw/zinc/43/83/45/358438345.db2.gz TVUHJYBXXQZEIN-MJBXVCDLSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000531056573 358438349 /nfs/dbraw/zinc/43/83/49/358438349.db2.gz TVUHJYBXXQZEIN-MJBXVCDLSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000531056573 358438351 /nfs/dbraw/zinc/43/83/51/358438351.db2.gz TVUHJYBXXQZEIN-MJBXVCDLSA-N 2 2 283.416 0.696 20 0 CCADLP CN(CCC(=O)NCc1[nH]cc[nH+]1)c1cc[nH+]cc1 ZINC000543713158 358548103 /nfs/dbraw/zinc/54/81/03/358548103.db2.gz LWHIXPPWEGHUNX-UHFFFAOYSA-N 2 2 259.313 0.947 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCOC(C)(C)C)C[C@@H](C)O1 ZINC000567681219 358571323 /nfs/dbraw/zinc/57/13/23/358571323.db2.gz MFXNNHQIVFUYJK-MGPQQGTHSA-N 2 2 288.432 0.861 20 0 CCADLP C[C@H](C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)CS(C)(=O)=O ZINC000567889355 358606994 /nfs/dbraw/zinc/60/69/94/358606994.db2.gz PGIJYFWQJZOSDE-CHWSQXEVSA-N 2 2 274.430 0.743 20 0 CCADLP C[C@H](C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)CS(C)(=O)=O ZINC000567889355 358606997 /nfs/dbraw/zinc/60/69/97/358606997.db2.gz PGIJYFWQJZOSDE-CHWSQXEVSA-N 2 2 274.430 0.743 20 0 CCADLP C[C@H](CC(=O)N(C)CC[NH+]1CCOCC1)n1cc[nH+]c1 ZINC000568021616 358625740 /nfs/dbraw/zinc/62/57/40/358625740.db2.gz ZFQZIZQDQXEKBL-CYBMUJFWSA-N 2 2 280.372 0.625 20 0 CCADLP C[C@@H](CC(=O)N1CC[N@H+](CCO)C[C@@H]1C)n1cc[nH+]c1 ZINC000568069179 358630335 /nfs/dbraw/zinc/63/03/35/358630335.db2.gz AWHQXWFNKOZAJW-STQMWFEESA-N 2 2 280.372 0.359 20 0 CCADLP C[C@@H](CC(=O)N1CC[N@@H+](CCO)C[C@@H]1C)n1cc[nH+]c1 ZINC000568069179 358630338 /nfs/dbraw/zinc/63/03/38/358630338.db2.gz AWHQXWFNKOZAJW-STQMWFEESA-N 2 2 280.372 0.359 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCNc1cccc[nH+]1 ZINC000567795218 358588215 /nfs/dbraw/zinc/58/82/15/358588215.db2.gz DJUZNPCVYRGVES-NWDGAFQWSA-N 2 2 262.357 0.998 20 0 CCADLP [NH3+][C@H](C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)c1cscn1 ZINC000567817125 358590701 /nfs/dbraw/zinc/59/07/01/358590701.db2.gz NBXYBYIQVWMMOJ-YPMHNXCESA-N 2 2 294.424 0.991 20 0 CCADLP C[NH+]1CCN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000567828227 358596251 /nfs/dbraw/zinc/59/62/51/358596251.db2.gz FYACZYSQSUBHHF-CYBMUJFWSA-N 2 2 277.372 0.195 20 0 CCADLP COc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c(F)c1 ZINC000568646757 358693791 /nfs/dbraw/zinc/69/37/91/358693791.db2.gz JDJITEHGHNTAMC-SMDDNHRTSA-N 2 2 293.342 0.578 20 0 CCADLP CCC(O)(CC)CCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000569322953 358752369 /nfs/dbraw/zinc/75/23/69/358752369.db2.gz MBXPJVJQABRCJG-LBPRGKRZSA-N 2 2 286.420 0.212 20 0 CCADLP CCC(O)(CC)CCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000569322953 358752374 /nfs/dbraw/zinc/75/23/74/358752374.db2.gz MBXPJVJQABRCJG-LBPRGKRZSA-N 2 2 286.420 0.212 20 0 CCADLP CCCCNC(=O)[C@@H](C)[NH+]1CCC([NH2+]CCOC)CC1 ZINC000568890596 358716227 /nfs/dbraw/zinc/71/62/27/358716227.db2.gz MQXSESGLTRDBMP-CYBMUJFWSA-N 2 2 285.432 0.992 20 0 CCADLP Cn1ncc2c1nc(N)[nH+]c2NCCCn1cc[nH+]c1 ZINC000569020149 358727480 /nfs/dbraw/zinc/72/74/80/358727480.db2.gz VFBIYEOJRFVPTB-UHFFFAOYSA-N 2 2 272.316 0.475 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000570095089 358822022 /nfs/dbraw/zinc/82/20/22/358822022.db2.gz OLMXDHLTNPQFPS-WDEREUQCSA-N 2 2 289.383 0.803 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000570095089 358822025 /nfs/dbraw/zinc/82/20/25/358822025.db2.gz OLMXDHLTNPQFPS-WDEREUQCSA-N 2 2 289.383 0.803 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000570095089 358822028 /nfs/dbraw/zinc/82/20/28/358822028.db2.gz OLMXDHLTNPQFPS-WDEREUQCSA-N 2 2 289.383 0.803 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000570095089 358822032 /nfs/dbraw/zinc/82/20/32/358822032.db2.gz OLMXDHLTNPQFPS-WDEREUQCSA-N 2 2 289.383 0.803 20 0 CCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NC1C[NH2+]C1 ZINC000569572771 358773834 /nfs/dbraw/zinc/77/38/34/358773834.db2.gz NYVXWIRJAIPSBR-UHFFFAOYSA-N 2 2 291.355 0.320 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)c2coc(C[NH3+])c2)CCO1 ZINC000569578934 358775143 /nfs/dbraw/zinc/77/51/43/358775143.db2.gz DBEJUCVORANEKU-JTQLQIEISA-N 2 2 267.329 0.189 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)c2coc(C[NH3+])c2)CCO1 ZINC000569578934 358775145 /nfs/dbraw/zinc/77/51/45/358775145.db2.gz DBEJUCVORANEKU-JTQLQIEISA-N 2 2 267.329 0.189 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](OC(F)F)C1 ZINC000569705805 358786766 /nfs/dbraw/zinc/78/67/66/358786766.db2.gz DOBNBOIJMHPWBT-QWRGUYRKSA-N 2 2 282.331 0.239 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](OC(F)F)C1 ZINC000569705805 358786769 /nfs/dbraw/zinc/78/67/69/358786769.db2.gz DOBNBOIJMHPWBT-QWRGUYRKSA-N 2 2 282.331 0.239 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000569705805 358786776 /nfs/dbraw/zinc/78/67/76/358786776.db2.gz DOBNBOIJMHPWBT-QWRGUYRKSA-N 2 2 282.331 0.239 20 0 CCADLP C[C@@H]1CC(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C[C@@H](C)O1 ZINC000569850366 358800308 /nfs/dbraw/zinc/80/03/08/358800308.db2.gz JKTRIIXTGBSDPB-NQBHXWOUSA-N 2 2 269.389 0.291 20 0 CCADLP C[C@@H]1CC(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C[C@@H](C)O1 ZINC000569850366 358800311 /nfs/dbraw/zinc/80/03/11/358800311.db2.gz JKTRIIXTGBSDPB-NQBHXWOUSA-N 2 2 269.389 0.291 20 0 CCADLP C[C@@H]1CC(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C[C@@H](C)O1 ZINC000569850371 358800656 /nfs/dbraw/zinc/80/06/56/358800656.db2.gz JKTRIIXTGBSDPB-WZRBSPASSA-N 2 2 269.389 0.291 20 0 CCADLP C[C@@H]1CC(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C[C@@H](C)O1 ZINC000569850371 358800657 /nfs/dbraw/zinc/80/06/57/358800657.db2.gz JKTRIIXTGBSDPB-WZRBSPASSA-N 2 2 269.389 0.291 20 0 CCADLP Cc1nnsc1C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000570460730 358860942 /nfs/dbraw/zinc/86/09/42/358860942.db2.gz BPRYVOYFHOINHI-UHFFFAOYSA-N 2 2 264.358 0.892 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000570521375 358866167 /nfs/dbraw/zinc/86/61/67/358866167.db2.gz PTCDQORCWAGIKU-NSHDSACASA-N 2 2 283.338 0.527 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000570521375 358866169 /nfs/dbraw/zinc/86/61/69/358866169.db2.gz PTCDQORCWAGIKU-NSHDSACASA-N 2 2 283.338 0.527 20 0 CCADLP CCCN(C(=O)[C@@H](C)[NH+]1CCN(C)CC1)[C@H]1CC[NH2+]C1 ZINC000571165469 358917645 /nfs/dbraw/zinc/91/76/45/358917645.db2.gz CHCGKQCMIPXSOB-KGLIPLIRSA-N 2 2 282.432 0.223 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000571179160 358920796 /nfs/dbraw/zinc/92/07/96/358920796.db2.gz WNZJAVMNYLKYJY-LLVKDONJSA-N 2 2 282.413 0.957 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000571179160 358920800 /nfs/dbraw/zinc/92/08/00/358920800.db2.gz WNZJAVMNYLKYJY-LLVKDONJSA-N 2 2 282.413 0.957 20 0 CCADLP CC(C)C[C@H](C)OCCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000573245911 358950440 /nfs/dbraw/zinc/95/04/40/358950440.db2.gz CKYAQUTUXBUOID-KBPBESRZSA-N 2 2 285.432 0.929 20 0 CCADLP CC(C)C[C@H](C)OCCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000573245911 358950441 /nfs/dbraw/zinc/95/04/41/358950441.db2.gz CKYAQUTUXBUOID-KBPBESRZSA-N 2 2 285.432 0.929 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CC2(CC(N)=O)CC2)C[N@@H+]1C1CC1 ZINC000574187424 359036663 /nfs/dbraw/zinc/03/66/63/359036663.db2.gz NEIBTPMDYIFJKI-GHMZBOCLSA-N 2 2 251.374 0.857 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CC2(CC(N)=O)CC2)C[N@H+]1C1CC1 ZINC000574187424 359036666 /nfs/dbraw/zinc/03/66/66/359036666.db2.gz NEIBTPMDYIFJKI-GHMZBOCLSA-N 2 2 251.374 0.857 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)C2CC([NH3+])C2)CC1 ZINC000575320489 359042872 /nfs/dbraw/zinc/04/28/72/359042872.db2.gz WHUJLHRSZKZQFA-UHFFFAOYSA-N 3 2 268.405 0.008 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)C2CC([NH3+])C2)CC1 ZINC000575320489 359042874 /nfs/dbraw/zinc/04/28/74/359042874.db2.gz WHUJLHRSZKZQFA-UHFFFAOYSA-N 3 2 268.405 0.008 20 0 CCADLP Cc1cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)ccc1F ZINC000573578005 358981100 /nfs/dbraw/zinc/98/11/00/358981100.db2.gz AOUXZPYEERTYKT-OCCSQVGLSA-N 2 2 277.343 0.878 20 0 CCADLP Cc1cc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)ccc1F ZINC000573578005 358981103 /nfs/dbraw/zinc/98/11/03/358981103.db2.gz AOUXZPYEERTYKT-OCCSQVGLSA-N 2 2 277.343 0.878 20 0 CCADLP CN(C)c1noc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)n1 ZINC000573740986 358995808 /nfs/dbraw/zinc/99/58/08/358995808.db2.gz KXVVGYHDCOOSII-SNVBAGLBSA-N 2 2 276.344 0.859 20 0 CCADLP CN(C)c1noc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)n1 ZINC000573740986 358995810 /nfs/dbraw/zinc/99/58/10/358995810.db2.gz KXVVGYHDCOOSII-SNVBAGLBSA-N 2 2 276.344 0.859 20 0 CCADLP Cc1c(Cl)c(CN2CC[N@H+](C)C[C@H]2C[NH3+])nn1C ZINC000573802797 359000499 /nfs/dbraw/zinc/00/04/99/359000499.db2.gz XIZLJWOWTFAMMS-SNVBAGLBSA-N 2 2 271.796 0.457 20 0 CCADLP Cc1c(Cl)c(CN2CC[N@@H+](C)C[C@H]2C[NH3+])nn1C ZINC000573802797 359000503 /nfs/dbraw/zinc/00/05/03/359000503.db2.gz XIZLJWOWTFAMMS-SNVBAGLBSA-N 2 2 271.796 0.457 20 0 CCADLP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)[C@H](O)C(F)F ZINC000573802684 359000595 /nfs/dbraw/zinc/00/05/95/359000595.db2.gz SUOBIFQLPZJCKF-VWYCJHECSA-N 2 2 266.332 0.436 20 0 CCADLP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)[C@H](O)C(F)F ZINC000573802684 359000598 /nfs/dbraw/zinc/00/05/98/359000598.db2.gz SUOBIFQLPZJCKF-VWYCJHECSA-N 2 2 266.332 0.436 20 0 CCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000562788949 291167547 /nfs/dbraw/zinc/16/75/47/291167547.db2.gz COEHVUUHYWNYJR-KBPBESRZSA-N 3 2 297.447 0.145 20 0 CCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000562788949 291167550 /nfs/dbraw/zinc/16/75/50/291167550.db2.gz COEHVUUHYWNYJR-KBPBESRZSA-N 3 2 297.447 0.145 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCC(C)(C)O)C[C@H](C)O1 ZINC000580316761 359081886 /nfs/dbraw/zinc/08/18/86/359081886.db2.gz ZZYXGNXLUBMSQW-XQQFMLRXSA-N 2 2 274.405 0.207 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCC(C)(C)O)C[C@H](C)O1 ZINC000580316761 359081888 /nfs/dbraw/zinc/08/18/88/359081888.db2.gz ZZYXGNXLUBMSQW-XQQFMLRXSA-N 2 2 274.405 0.207 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H]2CC[C@@H](CO)O2)n1C ZINC000580829933 359098045 /nfs/dbraw/zinc/09/80/45/359098045.db2.gz CJOVSEVFSUWQPT-NEPJUHHUSA-N 2 2 268.361 0.116 20 0 CCADLP Cc1ccc([C@@H]([NH3+])C(=O)NCC[N@@H+]2CCO[C@H](C)C2)cc1 ZINC000580894566 359106014 /nfs/dbraw/zinc/10/60/14/359106014.db2.gz GENUUKPKNLNOCW-UKRRQHHQSA-N 2 2 291.395 0.832 20 0 CCADLP Cc1ccc([C@@H]([NH3+])C(=O)NCC[N@H+]2CCO[C@H](C)C2)cc1 ZINC000580894566 359106017 /nfs/dbraw/zinc/10/60/17/359106017.db2.gz GENUUKPKNLNOCW-UKRRQHHQSA-N 2 2 291.395 0.832 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[NH+](CC)CCO1 ZINC000580944327 359111475 /nfs/dbraw/zinc/11/14/75/359111475.db2.gz BWFKUHFNQGAHAO-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[NH+](CC)CCO1 ZINC000580944327 359111477 /nfs/dbraw/zinc/11/14/77/359111477.db2.gz BWFKUHFNQGAHAO-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000580944327 359111482 /nfs/dbraw/zinc/11/14/82/359111482.db2.gz BWFKUHFNQGAHAO-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000580944327 359111486 /nfs/dbraw/zinc/11/14/86/359111486.db2.gz BWFKUHFNQGAHAO-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP OCC(CO)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000579850447 359056194 /nfs/dbraw/zinc/05/61/94/359056194.db2.gz XNSJEWRWWYOMCJ-MRXNPFEDSA-N 2 2 294.395 0.220 20 0 CCADLP OCC(CO)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000579850447 359056196 /nfs/dbraw/zinc/05/61/96/359056196.db2.gz XNSJEWRWWYOMCJ-MRXNPFEDSA-N 2 2 294.395 0.220 20 0 CCADLP Cc1[nH+]cc(C[NH2+]C[C@@H](O)C2CCOCC2)n1C ZINC000582431742 359149217 /nfs/dbraw/zinc/14/92/17/359149217.db2.gz PXYJXNLQAUIZSR-CYBMUJFWSA-N 2 2 253.346 0.606 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccc3[nH]cnc3c2)CC1 ZINC000589647865 359394366 /nfs/dbraw/zinc/39/43/66/359394366.db2.gz RJHLJHIXALPFKL-UHFFFAOYSA-N 2 2 287.367 0.427 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccc3nc[nH]c3c2)CC1 ZINC000589647865 359394368 /nfs/dbraw/zinc/39/43/68/359394368.db2.gz RJHLJHIXALPFKL-UHFFFAOYSA-N 2 2 287.367 0.427 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2[nH]nc3ccccc32)CC1 ZINC000589648065 359394706 /nfs/dbraw/zinc/39/47/06/359394706.db2.gz TZYODNUNKRJWPY-UHFFFAOYSA-N 2 2 287.367 0.427 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)CSC ZINC000562983673 291177702 /nfs/dbraw/zinc/17/77/02/291177702.db2.gz CZKIYBZRBMAIPF-NEPJUHHUSA-N 2 2 262.419 0.411 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)CSC ZINC000562983673 291177704 /nfs/dbraw/zinc/17/77/04/291177704.db2.gz CZKIYBZRBMAIPF-NEPJUHHUSA-N 2 2 262.419 0.411 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@](C)(C(=O)OC)C1 ZINC000590603461 359497989 /nfs/dbraw/zinc/49/79/89/359497989.db2.gz NFHKJMHUCCUATR-YPMHNXCESA-N 2 2 258.362 0.184 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@](C)(C(=O)OC)C1 ZINC000590603461 359497992 /nfs/dbraw/zinc/49/79/92/359497992.db2.gz NFHKJMHUCCUATR-YPMHNXCESA-N 2 2 258.362 0.184 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@](C)(C(=O)OC)C1 ZINC000590603461 359497994 /nfs/dbraw/zinc/49/79/94/359497994.db2.gz NFHKJMHUCCUATR-YPMHNXCESA-N 2 2 258.362 0.184 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@](C)(C(=O)OC)C1 ZINC000590603461 359497998 /nfs/dbraw/zinc/49/79/98/359497998.db2.gz NFHKJMHUCCUATR-YPMHNXCESA-N 2 2 258.362 0.184 20 0 CCADLP COC(=O)[C@H]([N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1(OC)CCC1 ZINC000590951463 359540982 /nfs/dbraw/zinc/54/09/82/359540982.db2.gz QMNQIKFZFIBZDF-TUAOUCFPSA-N 2 2 268.357 0.248 20 0 CCADLP COC(=O)[C@H]([N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1(OC)CCC1 ZINC000590951463 359540987 /nfs/dbraw/zinc/54/09/87/359540987.db2.gz QMNQIKFZFIBZDF-TUAOUCFPSA-N 2 2 268.357 0.248 20 0 CCADLP C[NH+](C)CCOCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492771475 237289998 /nfs/dbraw/zinc/28/99/98/237289998.db2.gz RZMWAMDESSFFDA-ARJAWSKDSA-N 2 2 252.318 0.117 20 0 CCADLP C[C@@H](CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1cccnc1 ZINC000563101821 291193197 /nfs/dbraw/zinc/19/31/97/291193197.db2.gz OSXGYMSXFNEJOL-GXTWGEPZSA-N 2 2 276.384 0.677 20 0 CCADLP C[C@@H](CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1cccnc1 ZINC000563101821 291193199 /nfs/dbraw/zinc/19/31/99/291193199.db2.gz OSXGYMSXFNEJOL-GXTWGEPZSA-N 2 2 276.384 0.677 20 0 CCADLP C[NH+](C)C[C@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CCO1 ZINC000493109229 237394655 /nfs/dbraw/zinc/39/46/55/237394655.db2.gz UXTMJBFMIHZYLW-UFFNRZRYSA-N 2 2 264.329 0.212 20 0 CCADLP C[N@@H+]1CCCC12CC[NH+](CCN1C(=O)CNC1=O)CC2 ZINC000329316313 202278345 /nfs/dbraw/zinc/27/83/45/202278345.db2.gz QPJNDYDRHZCGOW-UHFFFAOYSA-N 2 2 280.372 0.303 20 0 CCADLP C[N@H+]1CCCC12CC[NH+](CCN1C(=O)CNC1=O)CC2 ZINC000329316313 202278348 /nfs/dbraw/zinc/27/83/48/202278348.db2.gz QPJNDYDRHZCGOW-UHFFFAOYSA-N 2 2 280.372 0.303 20 0 CCADLP CC[NH+]1CCN(C(=O)NCc2c[nH+]ccc2OC)CC1 ZINC000297487103 200207544 /nfs/dbraw/zinc/20/75/44/200207544.db2.gz TYDISFMGNMYAOI-UHFFFAOYSA-N 2 2 278.356 0.937 20 0 CCADLP CCN1CC[NH+]([C@H]2CCN(C(=O)CC(C)(C)[NH3+])C2)CC1 ZINC000592134013 359762561 /nfs/dbraw/zinc/76/25/61/359762561.db2.gz AEAUBPLOWYKOIZ-ZDUSSCGKSA-N 2 2 282.432 0.352 20 0 CCADLP CC[NH+]1CCN(CC(=O)N[C@H](C)c2[nH+]ccn2C)CC1 ZINC000620600177 366542512 /nfs/dbraw/zinc/54/25/12/366542512.db2.gz MYRCUJQIIBOIIZ-GFCCVEGCSA-N 2 2 279.388 0.235 20 0 CCADLP CCn1ccnc1[C@@H](C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000297719323 200267666 /nfs/dbraw/zinc/26/76/66/200267666.db2.gz NDPMWMBWWZVQOP-CYBMUJFWSA-N 2 2 293.415 0.718 20 0 CCADLP COC(=O)C1(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)CCCC1 ZINC000593909239 360205151 /nfs/dbraw/zinc/20/51/51/360205151.db2.gz IULHSXWGXGONCX-LLVKDONJSA-N 2 2 285.388 0.115 20 0 CCADLP C[C@H](C[S@@](C)=O)[N@H+](C)C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000594611331 360339466 /nfs/dbraw/zinc/33/94/66/360339466.db2.gz IPGJLJCMRUREFN-BBEGDGIKSA-N 2 2 288.457 0.939 20 0 CCADLP C[C@H](C[S@@](C)=O)[N@@H+](C)C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000594611331 360339469 /nfs/dbraw/zinc/33/94/69/360339469.db2.gz IPGJLJCMRUREFN-BBEGDGIKSA-N 2 2 288.457 0.939 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000594649617 360348416 /nfs/dbraw/zinc/34/84/16/360348416.db2.gz ZIJOHANJPTZPDK-CYBMUJFWSA-N 2 2 262.357 0.874 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000594649617 360348423 /nfs/dbraw/zinc/34/84/23/360348423.db2.gz ZIJOHANJPTZPDK-CYBMUJFWSA-N 2 2 262.357 0.874 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@H+]1CC=CCC1 ZINC000563394038 291222453 /nfs/dbraw/zinc/22/24/53/291222453.db2.gz ZUCYMEAEYHKBBV-GFCCVEGCSA-N 2 2 262.357 0.966 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@@H+]1CC=CCC1 ZINC000563394038 291222455 /nfs/dbraw/zinc/22/24/55/291222455.db2.gz ZUCYMEAEYHKBBV-GFCCVEGCSA-N 2 2 262.357 0.966 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@H+]1CC=CCC1 ZINC000563394038 291222457 /nfs/dbraw/zinc/22/24/57/291222457.db2.gz ZUCYMEAEYHKBBV-GFCCVEGCSA-N 2 2 262.357 0.966 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@@H+]1CC=CCC1 ZINC000563394038 291222460 /nfs/dbraw/zinc/22/24/60/291222460.db2.gz ZUCYMEAEYHKBBV-GFCCVEGCSA-N 2 2 262.357 0.966 20 0 CCADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000594750407 360375933 /nfs/dbraw/zinc/37/59/33/360375933.db2.gz TXUYOTZZTHXSCL-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000594750407 360375939 /nfs/dbraw/zinc/37/59/39/360375939.db2.gz TXUYOTZZTHXSCL-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000594925330 360416745 /nfs/dbraw/zinc/41/67/45/360416745.db2.gz RUACARZOQWKRIT-FDYHWXHSSA-N 2 2 269.389 0.019 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000594925330 360416747 /nfs/dbraw/zinc/41/67/47/360416747.db2.gz RUACARZOQWKRIT-FDYHWXHSSA-N 2 2 269.389 0.019 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(OC)no3)C2)CC1 ZINC000595314181 360493099 /nfs/dbraw/zinc/49/30/99/360493099.db2.gz RLUBFCDBBRVHBG-CYBMUJFWSA-N 2 2 294.399 0.895 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(OC)no3)C2)CC1 ZINC000595314181 360493102 /nfs/dbraw/zinc/49/31/02/360493102.db2.gz RLUBFCDBBRVHBG-CYBMUJFWSA-N 2 2 294.399 0.895 20 0 CCADLP COC(=O)c1cc(C[N@H+](C)C[C@H](O)C[NH3+])cs1 ZINC000595892687 360693474 /nfs/dbraw/zinc/69/34/74/360693474.db2.gz OIYOEKYJUKUXTM-SECBINFHSA-N 2 2 258.343 0.286 20 0 CCADLP COC(=O)c1cc(C[N@@H+](C)C[C@H](O)C[NH3+])cs1 ZINC000595892687 360693479 /nfs/dbraw/zinc/69/34/79/360693479.db2.gz OIYOEKYJUKUXTM-SECBINFHSA-N 2 2 258.343 0.286 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cnn2ccccc12 ZINC000178999961 189160792 /nfs/dbraw/zinc/16/07/92/189160792.db2.gz KJKUOJZHVICSTH-AWEZNQCLSA-N 2 2 262.357 0.737 20 0 CCADLP Cc1cnc(OC2CC[NH+](C[C@H](C)[NH3+])CC2)nc1 ZINC000655945359 412709745 /nfs/dbraw/zinc/70/97/45/412709745.db2.gz BAGHOHIQQPNBHY-NSHDSACASA-N 2 2 250.346 0.975 20 0 CCADLP COC(=O)CCN1CC[N@H+](CCCn2cc[nH+]c2)[C@@H](C)C1 ZINC000179679477 189212643 /nfs/dbraw/zinc/21/26/43/189212643.db2.gz SIJZSVVNHUTKRD-AWEZNQCLSA-N 2 2 294.399 0.842 20 0 CCADLP COC(=O)CCN1CC[N@@H+](CCCn2cc[nH+]c2)[C@@H](C)C1 ZINC000179679477 189212644 /nfs/dbraw/zinc/21/26/44/189212644.db2.gz SIJZSVVNHUTKRD-AWEZNQCLSA-N 2 2 294.399 0.842 20 0 CCADLP CCNc1nc(NC(C)(C)C)nc(N[C@H](C)C[C@H](C)[NH3+])[nH+]1 ZINC000563713171 291247955 /nfs/dbraw/zinc/24/79/55/291247955.db2.gz GRGMKLOARWXDPQ-VHSXEESVSA-N 2 2 295.435 0.895 20 0 CCADLP CCNc1nc(N[C@H](C)C[C@H](C)[NH3+])nc(NC(C)(C)C)[nH+]1 ZINC000563713171 291247958 /nfs/dbraw/zinc/24/79/58/291247958.db2.gz GRGMKLOARWXDPQ-VHSXEESVSA-N 2 2 295.435 0.895 20 0 CCADLP CCNc1nc(N[C@H](C)C[C@H](C)[NH3+])[nH+]c(NC(C)(C)C)n1 ZINC000563713171 291247959 /nfs/dbraw/zinc/24/79/59/291247959.db2.gz GRGMKLOARWXDPQ-VHSXEESVSA-N 2 2 295.435 0.895 20 0 CCADLP CCNc1nc(NC(C)(C)C)nc(N[C@H](C)C[C@@H](C)[NH3+])[nH+]1 ZINC000563713146 291247973 /nfs/dbraw/zinc/24/79/73/291247973.db2.gz GRGMKLOARWXDPQ-NXEZZACHSA-N 2 2 295.435 0.895 20 0 CCADLP CCNc1nc(N[C@H](C)C[C@@H](C)[NH3+])nc(NC(C)(C)C)[nH+]1 ZINC000563713146 291247974 /nfs/dbraw/zinc/24/79/74/291247974.db2.gz GRGMKLOARWXDPQ-NXEZZACHSA-N 2 2 295.435 0.895 20 0 CCADLP CCNc1nc(N[C@H](C)C[C@@H](C)[NH3+])[nH+]c(NC(C)(C)C)n1 ZINC000563713146 291247976 /nfs/dbraw/zinc/24/79/76/291247976.db2.gz GRGMKLOARWXDPQ-NXEZZACHSA-N 2 2 295.435 0.895 20 0 CCADLP Cc1c([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cnn1C ZINC000180317085 189249822 /nfs/dbraw/zinc/24/98/22/189249822.db2.gz MRUPMPDYAUAKPK-LLVKDONJSA-N 2 2 279.388 0.153 20 0 CCADLP CNS(=O)(=O)CC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000621260699 366686694 /nfs/dbraw/zinc/68/66/94/366686694.db2.gz MRCVRQJPNJSQFZ-ZDUSSCGKSA-N 2 2 289.445 0.199 20 0 CCADLP CNS(=O)(=O)CC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000621260699 366686698 /nfs/dbraw/zinc/68/66/98/366686698.db2.gz MRCVRQJPNJSQFZ-ZDUSSCGKSA-N 2 2 289.445 0.199 20 0 CCADLP CNS(=O)(=O)CC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000621260699 366686702 /nfs/dbraw/zinc/68/67/02/366686702.db2.gz MRCVRQJPNJSQFZ-ZDUSSCGKSA-N 2 2 289.445 0.199 20 0 CCADLP CNS(=O)(=O)CC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000621260699 366686709 /nfs/dbraw/zinc/68/67/09/366686709.db2.gz MRCVRQJPNJSQFZ-ZDUSSCGKSA-N 2 2 289.445 0.199 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CCS(=O)(=O)NC)[C@@H](C)C1 ZINC000621267237 366692524 /nfs/dbraw/zinc/69/25/24/366692524.db2.gz SOMIQGSLYBMZID-NWDGAFQWSA-N 2 2 277.434 0.198 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CCS(=O)(=O)NC)[C@@H](C)C1 ZINC000621267237 366692529 /nfs/dbraw/zinc/69/25/29/366692529.db2.gz SOMIQGSLYBMZID-NWDGAFQWSA-N 2 2 277.434 0.198 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CCS(=O)(=O)NC)[C@@H](C)C1 ZINC000621267237 366692533 /nfs/dbraw/zinc/69/25/33/366692533.db2.gz SOMIQGSLYBMZID-NWDGAFQWSA-N 2 2 277.434 0.198 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CCS(=O)(=O)NC)[C@@H](C)C1 ZINC000621267237 366692541 /nfs/dbraw/zinc/69/25/41/366692541.db2.gz SOMIQGSLYBMZID-NWDGAFQWSA-N 2 2 277.434 0.198 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)CCCO1 ZINC000631828688 370694481 /nfs/dbraw/zinc/69/44/81/370694481.db2.gz VUCVEWDXHNJTIK-OLZOCXBDSA-N 2 2 267.373 0.189 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)CCCO1 ZINC000631828688 370694484 /nfs/dbraw/zinc/69/44/84/370694484.db2.gz VUCVEWDXHNJTIK-OLZOCXBDSA-N 2 2 267.373 0.189 20 0 CCADLP C[C@@H](CNC(=O)CC[C@@H]1CCC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000621653361 366818662 /nfs/dbraw/zinc/81/86/62/366818662.db2.gz WFZXNISHQMOFJV-GJZGRUSLSA-N 2 2 296.459 0.518 20 0 CCADLP Cc1[nH+]cc(C[NH2+]C(C)(C)CN2CCOCC2)n1C ZINC000564349223 291276984 /nfs/dbraw/zinc/27/69/84/291276984.db2.gz KRDKEIXJZWLFQH-UHFFFAOYSA-N 2 2 266.389 0.929 20 0 CCADLP [NH3+]CC[N@H+](C[C@@H](O)CO)C[C@@H]1CCC(F)(F)C1 ZINC000631829234 370695912 /nfs/dbraw/zinc/69/59/12/370695912.db2.gz LKMQLKVBATZRBK-NXEZZACHSA-N 2 2 252.305 0.036 20 0 CCADLP [NH3+]CC[N@@H+](C[C@@H](O)CO)C[C@@H]1CCC(F)(F)C1 ZINC000631829234 370695919 /nfs/dbraw/zinc/69/59/19/370695919.db2.gz LKMQLKVBATZRBK-NXEZZACHSA-N 2 2 252.305 0.036 20 0 CCADLP COc1ccc(F)c(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000621669755 366826330 /nfs/dbraw/zinc/82/63/30/366826330.db2.gz WCPHVPBVPQOOCR-CYBMUJFWSA-N 2 2 283.347 0.730 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000599389070 361681150 /nfs/dbraw/zinc/68/11/50/361681150.db2.gz BGFAIMFIYPYXCS-LSDHHAIUSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000599389070 361681153 /nfs/dbraw/zinc/68/11/53/361681153.db2.gz BGFAIMFIYPYXCS-LSDHHAIUSA-N 2 2 295.427 0.794 20 0 CCADLP CCOC(=O)C1CCN(C(=O)C[N@H+](C)CCC[NH2+]C)CC1 ZINC000564570727 291285453 /nfs/dbraw/zinc/28/54/53/291285453.db2.gz KULPFPDFGTUVBN-UHFFFAOYSA-N 2 2 299.415 0.329 20 0 CCADLP CCOC(=O)C1CCN(C(=O)C[N@@H+](C)CCC[NH2+]C)CC1 ZINC000564570727 291285456 /nfs/dbraw/zinc/28/54/56/291285456.db2.gz KULPFPDFGTUVBN-UHFFFAOYSA-N 2 2 299.415 0.329 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)Nc1cc[nH+]cc1C(N)=O ZINC000302051040 201320804 /nfs/dbraw/zinc/32/08/04/201320804.db2.gz XHPVWJRQQQXFGG-SNVBAGLBSA-N 2 2 264.329 0.313 20 0 CCADLP C[C@@H]1OCC[C@H]1C[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000631829230 370696801 /nfs/dbraw/zinc/69/68/01/370696801.db2.gz LKJIVHKOXVMWGE-AUZPSNTRSA-N 2 2 264.373 0.572 20 0 CCADLP C[C@@H]1OCC[C@H]1C[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000631829230 370696804 /nfs/dbraw/zinc/69/68/04/370696804.db2.gz LKJIVHKOXVMWGE-AUZPSNTRSA-N 2 2 264.373 0.572 20 0 CCADLP C[C@H](C(=O)N(C)C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000564769785 291298574 /nfs/dbraw/zinc/29/85/74/291298574.db2.gz PCFYIGUUDWCWDH-SNVBAGLBSA-N 2 2 251.334 0.008 20 0 CCADLP CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631863878 370725182 /nfs/dbraw/zinc/72/51/82/370725182.db2.gz HGBGSPAEWKNOJV-GFCCVEGCSA-N 2 2 285.432 0.726 20 0 CCADLP CC(C)CNC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631888310 370737934 /nfs/dbraw/zinc/73/79/34/370737934.db2.gz YASCVXACEXVRSD-OLZOCXBDSA-N 2 2 253.390 0.833 20 0 CCADLP CC(C)CNC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631888310 370737940 /nfs/dbraw/zinc/73/79/40/370737940.db2.gz YASCVXACEXVRSD-OLZOCXBDSA-N 2 2 253.390 0.833 20 0 CCADLP C[NH+](C)C1(CS(=O)(=O)N2CC[NH2+]C[C@](C)(F)C2)CC1 ZINC000631940177 370775010 /nfs/dbraw/zinc/77/50/10/370775010.db2.gz QSTMKBJPGSVNSQ-NSHDSACASA-N 2 2 293.408 0.044 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000614034649 364467685 /nfs/dbraw/zinc/46/76/85/364467685.db2.gz ZKEOAAUNNPDPSG-NSHDSACASA-N 2 2 262.357 0.752 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000614034649 364467692 /nfs/dbraw/zinc/46/76/92/364467692.db2.gz ZKEOAAUNNPDPSG-NSHDSACASA-N 2 2 262.357 0.752 20 0 CCADLP CCn1cc(CC[N@@H+]2CCO[C@H]([C@H](C)[NH3+])C2)cn1 ZINC000621775182 366862711 /nfs/dbraw/zinc/86/27/11/366862711.db2.gz IFSDNUADKRCRJM-AAEUAGOBSA-N 2 2 252.362 0.494 20 0 CCADLP CCn1cc(CC[N@H+]2CCO[C@H]([C@H](C)[NH3+])C2)cn1 ZINC000621775182 366862717 /nfs/dbraw/zinc/86/27/17/366862717.db2.gz IFSDNUADKRCRJM-AAEUAGOBSA-N 2 2 252.362 0.494 20 0 CCADLP C[NH+](C)CCCCC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000614509051 364639914 /nfs/dbraw/zinc/63/99/14/364639914.db2.gz ZJZVODBFSYAGBY-CQSZACIVSA-N 2 2 282.432 0.224 20 0 CCADLP C[NH+](C)CCCCC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000614509051 364639918 /nfs/dbraw/zinc/63/99/18/364639918.db2.gz ZJZVODBFSYAGBY-CQSZACIVSA-N 2 2 282.432 0.224 20 0 CCADLP [NH3+]C[C@H]1CN(C(=O)[C@H]([NH3+])c2c(F)cccc2F)CCCO1 ZINC000564952518 291324703 /nfs/dbraw/zinc/32/47/03/291324703.db2.gz BJWUGTXMWKFBSN-TVQRCGJNSA-N 2 2 299.321 0.541 20 0 CCADLP CCn1ccnc1C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000564973464 291328636 /nfs/dbraw/zinc/32/86/36/291328636.db2.gz GZYNGJXXSZYPRS-CYBMUJFWSA-N 2 2 293.415 0.723 20 0 CCADLP CCn1ccnc1C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000564973464 291328639 /nfs/dbraw/zinc/32/86/39/291328639.db2.gz GZYNGJXXSZYPRS-CYBMUJFWSA-N 2 2 293.415 0.723 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000363641534 283803984 /nfs/dbraw/zinc/80/39/84/283803984.db2.gz OYLLHXKQYHEIAV-UONOGXRCSA-N 2 2 292.383 0.331 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@H]2CN(C)C(=O)O2)C1 ZINC000496421276 240050848 /nfs/dbraw/zinc/05/08/48/240050848.db2.gz XKNBADXKLPXFKE-WDEREUQCSA-N 2 2 264.329 0.660 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@H]2CN(C)C(=O)O2)C1 ZINC000496421276 240050859 /nfs/dbraw/zinc/05/08/59/240050859.db2.gz XKNBADXKLPXFKE-WDEREUQCSA-N 2 2 264.329 0.660 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000615303984 364913088 /nfs/dbraw/zinc/91/30/88/364913088.db2.gz JVQNMDJNLZPEJG-PWSUYJOCSA-N 2 2 250.346 0.812 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000615380047 364933084 /nfs/dbraw/zinc/93/30/84/364933084.db2.gz JFQFPONJDXKJLR-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000615380047 364933085 /nfs/dbraw/zinc/93/30/85/364933085.db2.gz JFQFPONJDXKJLR-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP CCOCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564987367 291331484 /nfs/dbraw/zinc/33/14/84/291331484.db2.gz ZGVWFAGUFPECSB-ZBFHGGJFSA-N 2 2 297.443 0.993 20 0 CCADLP CCOCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564987367 291331486 /nfs/dbraw/zinc/33/14/86/291331486.db2.gz ZGVWFAGUFPECSB-ZBFHGGJFSA-N 2 2 297.443 0.993 20 0 CCADLP C[C@@H](CC(=O)N1CC(C[NH+](C)C)C1)n1cc[nH+]c1 ZINC000615502833 364984985 /nfs/dbraw/zinc/98/49/85/364984985.db2.gz QWAOULKOQJEFHS-NSHDSACASA-N 2 2 250.346 0.854 20 0 CCADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000565086341 291344282 /nfs/dbraw/zinc/34/42/82/291344282.db2.gz NANNBSUJGYFHNI-CQSZACIVSA-N 2 2 297.424 0.946 20 0 CCADLP Cn1ncc2c1nc(N)[nH+]c2N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000656110206 412743231 /nfs/dbraw/zinc/74/32/31/412743231.db2.gz YIHMNFGGGKRKFZ-ZJUUUORDSA-N 2 2 287.371 0.984 20 0 CCADLP Cn1ncc2c1nc(N)[nH+]c2N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000656110206 412743235 /nfs/dbraw/zinc/74/32/35/412743235.db2.gz YIHMNFGGGKRKFZ-ZJUUUORDSA-N 2 2 287.371 0.984 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000565159051 291348975 /nfs/dbraw/zinc/34/89/75/291348975.db2.gz VUIWJELKCSTAIW-LBPRGKRZSA-N 2 2 280.372 0.362 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000565159051 291348976 /nfs/dbraw/zinc/34/89/76/291348976.db2.gz VUIWJELKCSTAIW-LBPRGKRZSA-N 2 2 280.372 0.362 20 0 CCADLP C[C@H](C(=O)N(C)Cc1c[nH+]c[nH]1)[NH+]1CCSCC1 ZINC000616926606 365471176 /nfs/dbraw/zinc/47/11/76/365471176.db2.gz JDDZIVZHJYQNHE-SNVBAGLBSA-N 2 2 268.386 0.805 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2c[nH]c[nH+]2)C1 ZINC000621861114 366899446 /nfs/dbraw/zinc/89/94/46/366899446.db2.gz QJSUDWBXLJMVAL-LLVKDONJSA-N 2 2 280.372 0.524 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2c[nH]c[nH+]2)C1 ZINC000621861114 366899451 /nfs/dbraw/zinc/89/94/51/366899451.db2.gz QJSUDWBXLJMVAL-LLVKDONJSA-N 2 2 280.372 0.524 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000621861114 366899456 /nfs/dbraw/zinc/89/94/56/366899456.db2.gz QJSUDWBXLJMVAL-LLVKDONJSA-N 2 2 280.372 0.524 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000621861114 366899457 /nfs/dbraw/zinc/89/94/57/366899457.db2.gz QJSUDWBXLJMVAL-LLVKDONJSA-N 2 2 280.372 0.524 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)C[NH+]2CC(C)(C)C2)[C@@H](C)C1 ZINC000565196640 291357167 /nfs/dbraw/zinc/35/71/67/291357167.db2.gz VRZLLYYEZLJNTE-STQMWFEESA-N 2 2 283.416 0.242 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)C[NH+]2CC(C)(C)C2)[C@@H](C)C1 ZINC000565196640 291357168 /nfs/dbraw/zinc/35/71/68/291357168.db2.gz VRZLLYYEZLJNTE-STQMWFEESA-N 2 2 283.416 0.242 20 0 CCADLP CC(C)(C(=O)NCCC[NH+]1CCC(O)CC1)c1c[nH]c[nH+]1 ZINC000621907510 366920705 /nfs/dbraw/zinc/92/07/05/366920705.db2.gz UDLRYXUQPHFRCL-UHFFFAOYSA-N 2 2 294.399 0.650 20 0 CCADLP C[C@@H](NC(=O)N[C@H]1CCC[NH2+][C@H]1C)[C@@H](C)[NH+]1CCOCC1 ZINC000333436763 296089143 /nfs/dbraw/zinc/08/91/43/296089143.db2.gz VLINWCNJBICXIC-RQJABVFESA-N 2 2 298.431 0.535 20 0 CCADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000565293186 291369231 /nfs/dbraw/zinc/36/92/31/291369231.db2.gz VROPDMSCAPKSDO-SNVBAGLBSA-N 2 2 287.323 0.093 20 0 CCADLP COc1c(C)[nH+]cnc1N1CCC([NH2+]CCO)CC1 ZINC000656150184 412750506 /nfs/dbraw/zinc/75/05/06/412750506.db2.gz LABQDIDBDZBUKW-UHFFFAOYSA-N 2 2 266.345 0.344 20 0 CCADLP C[NH+](C)CC(C)(C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000622098661 367026049 /nfs/dbraw/zinc/02/60/49/367026049.db2.gz MJCRPEQDGZUXAD-NSHDSACASA-N 2 2 264.373 0.902 20 0 CCADLP CC(C)(CC[NH3+])NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623179443 367467999 /nfs/dbraw/zinc/46/79/99/367467999.db2.gz NWNRMMBKGBYAPT-SNVBAGLBSA-N 2 2 250.346 0.689 20 0 CCADLP CC(C)(CC[NH3+])NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623179442 367468044 /nfs/dbraw/zinc/46/80/44/367468044.db2.gz NWNRMMBKGBYAPT-JTQLQIEISA-N 2 2 250.346 0.689 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623180614 367469166 /nfs/dbraw/zinc/46/91/66/367469166.db2.gz PUZONQWZZWESCO-GRYCIOLGSA-N 2 2 262.357 0.702 20 0 CCADLP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000623175676 367463191 /nfs/dbraw/zinc/46/31/91/367463191.db2.gz GTJYBAWVNBUSQP-NWDGAFQWSA-N 2 2 262.357 0.656 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623176067 367464212 /nfs/dbraw/zinc/46/42/12/367464212.db2.gz CVFDRYHYDHIQIS-GFCCVEGCSA-N 2 2 264.373 0.950 20 0 CCADLP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623178233 367466307 /nfs/dbraw/zinc/46/63/07/367466307.db2.gz HJUGQEJALQIWEN-SRVKXCTJSA-N 2 2 280.347 0.604 20 0 CCADLP CC[C@H](C(=O)N[C@H]1CCn2c[nH+]cc2C1)[NH+](C)C ZINC000623307597 367527968 /nfs/dbraw/zinc/52/79/68/367527968.db2.gz KESZKUNLTMRSQC-CMPLNLGQSA-N 2 2 250.346 0.654 20 0 CCADLP Nc1ncc2c(n1)C[N@@H+](CCCn1cc[nH+]c1)CC2 ZINC000623292932 367515961 /nfs/dbraw/zinc/51/59/61/367515961.db2.gz GABSKNLFJCPSBV-UHFFFAOYSA-N 2 2 258.329 0.534 20 0 CCADLP Nc1ncc2c(n1)C[N@H+](CCCn1cc[nH+]c1)CC2 ZINC000623292932 367515967 /nfs/dbraw/zinc/51/59/67/367515967.db2.gz GABSKNLFJCPSBV-UHFFFAOYSA-N 2 2 258.329 0.534 20 0 CCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCn3c[nH+]cc3C2)CC[N@@H+]1C ZINC000623298249 367522122 /nfs/dbraw/zinc/52/21/22/367522122.db2.gz YTKAWLPGXGPNIE-NQBHXWOUSA-N 2 2 262.357 0.654 20 0 CCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCn3c[nH+]cc3C2)CC[N@H+]1C ZINC000623298249 367522129 /nfs/dbraw/zinc/52/21/29/367522129.db2.gz YTKAWLPGXGPNIE-NQBHXWOUSA-N 2 2 262.357 0.654 20 0 CCADLP Cc1nc(N)c(CNC(=O)[C@H](C(C)C)[NH+](C)C)c[nH+]1 ZINC000566279856 291388421 /nfs/dbraw/zinc/38/84/21/291388421.db2.gz OQZUWHXRXVQQCI-NSHDSACASA-N 2 2 265.361 0.400 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623493010 367572362 /nfs/dbraw/zinc/57/23/62/367572362.db2.gz RTQJNZIIIBSNLZ-OCCSQVGLSA-N 3 2 255.406 0.515 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623493010 367572366 /nfs/dbraw/zinc/57/23/66/367572366.db2.gz RTQJNZIIIBSNLZ-OCCSQVGLSA-N 3 2 255.406 0.515 20 0 CCADLP C[NH+]1CC[C@](O)(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623493010 367572371 /nfs/dbraw/zinc/57/23/71/367572371.db2.gz RTQJNZIIIBSNLZ-OCCSQVGLSA-N 3 2 255.406 0.515 20 0 CCADLP C[NH+]1CC[C@](O)(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623493010 367572377 /nfs/dbraw/zinc/57/23/77/367572377.db2.gz RTQJNZIIIBSNLZ-OCCSQVGLSA-N 3 2 255.406 0.515 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000623598146 367601269 /nfs/dbraw/zinc/60/12/69/367601269.db2.gz RIRGZTILPGZCAM-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000623598146 367601277 /nfs/dbraw/zinc/60/12/77/367601277.db2.gz RIRGZTILPGZCAM-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH+]1CCCC[C@H]1CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623598146 367601283 /nfs/dbraw/zinc/60/12/83/367601283.db2.gz RIRGZTILPGZCAM-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH+]1CCCC[C@H]1CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623598146 367601288 /nfs/dbraw/zinc/60/12/88/367601288.db2.gz RIRGZTILPGZCAM-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623564246 367592832 /nfs/dbraw/zinc/59/28/32/367592832.db2.gz XDYGTYKIIJMLHB-GRYCIOLGSA-N 2 2 290.429 0.261 20 0 CCADLP CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623564246 367592838 /nfs/dbraw/zinc/59/28/38/367592838.db2.gz XDYGTYKIIJMLHB-GRYCIOLGSA-N 2 2 290.429 0.261 20 0 CCADLP C[C@H](CNC(=O)NC[C@@H]1COCC[N@@H+]1C)[NH+](C)C1CC1 ZINC000623725790 367636201 /nfs/dbraw/zinc/63/62/01/367636201.db2.gz KNJVJJBQFVURKE-DGCLKSJQSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@H](CNC(=O)NC[C@@H]1COCC[N@H+]1C)[NH+](C)C1CC1 ZINC000623725790 367636204 /nfs/dbraw/zinc/63/62/04/367636204.db2.gz KNJVJJBQFVURKE-DGCLKSJQSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@H](CNC(=O)NC[C@@H]1COCC[NH+]1C)[N@H+](C)C1CC1 ZINC000623725790 367636210 /nfs/dbraw/zinc/63/62/10/367636210.db2.gz KNJVJJBQFVURKE-DGCLKSJQSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@H](CNC(=O)NC[C@@H]1COCC[NH+]1C)[N@@H+](C)C1CC1 ZINC000623725790 367636214 /nfs/dbraw/zinc/63/62/14/367636214.db2.gz KNJVJJBQFVURKE-DGCLKSJQSA-N 2 2 284.404 0.099 20 0 CCADLP CC[N@@H+]1CC[C@H](N(C)c2nc(N)nc(N)[nH+]2)C[C@H]1C ZINC000623988375 367718050 /nfs/dbraw/zinc/71/80/50/367718050.db2.gz HDYKKTKNPHRLRZ-BDAKNGLRSA-N 2 2 265.365 0.006 20 0 CCADLP CC[N@H+]1CC[C@H](N(C)c2nc(N)nc(N)[nH+]2)C[C@H]1C ZINC000623988375 367718053 /nfs/dbraw/zinc/71/80/53/367718053.db2.gz HDYKKTKNPHRLRZ-BDAKNGLRSA-N 2 2 265.365 0.006 20 0 CCADLP COc1cccc(C[C@H](C)[NH2+]CC[N@@H+]2CC[C@H](O)C2)n1 ZINC000624338052 367837980 /nfs/dbraw/zinc/83/79/80/367837980.db2.gz SEECUUCAQUSLTH-JSGCOSHPSA-N 2 2 279.384 0.677 20 0 CCADLP COc1cccc(C[C@H](C)[NH2+]CC[N@H+]2CC[C@H](O)C2)n1 ZINC000624338052 367837984 /nfs/dbraw/zinc/83/79/84/367837984.db2.gz SEECUUCAQUSLTH-JSGCOSHPSA-N 2 2 279.384 0.677 20 0 CCADLP COc1ccc(C[C@@H](C)[NH2+]CC[N@@H+]2CC[C@H](O)C2)cn1 ZINC000624338888 367839267 /nfs/dbraw/zinc/83/92/67/367839267.db2.gz GMJMVPINJXRYQF-OCCSQVGLSA-N 2 2 279.384 0.677 20 0 CCADLP COc1ccc(C[C@@H](C)[NH2+]CC[N@H+]2CC[C@H](O)C2)cn1 ZINC000624338888 367839272 /nfs/dbraw/zinc/83/92/72/367839272.db2.gz GMJMVPINJXRYQF-OCCSQVGLSA-N 2 2 279.384 0.677 20 0 CCADLP Cc1nc(NC[C@@H]2COCC[N@H+]2C)c(C)c(C)[nH+]1 ZINC000624619658 367931140 /nfs/dbraw/zinc/93/11/40/367931140.db2.gz HYBREYPKOXVDNT-GFCCVEGCSA-N 2 2 250.346 0.566 20 0 CCADLP Cc1nc(NC[C@@H]2COCC[N@@H+]2C)c(C)c(C)[nH+]1 ZINC000624619658 367931145 /nfs/dbraw/zinc/93/11/45/367931145.db2.gz HYBREYPKOXVDNT-GFCCVEGCSA-N 2 2 250.346 0.566 20 0 CCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC[C@H]1COCC[NH+]1C ZINC000624726825 367966882 /nfs/dbraw/zinc/96/68/82/367966882.db2.gz OLQIXLIGBCXRNO-STQMWFEESA-N 2 2 284.404 0.053 20 0 CCADLP 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C[C@H]1CC[C@@H](NC(=O)NCCCn2cc[nH+]c2)C[NH2+]1 ZINC000626917711 368676799 /nfs/dbraw/zinc/67/67/99/368676799.db2.gz LTYVJQBRRLSCQO-NWDGAFQWSA-N 2 2 265.361 0.713 20 0 CCADLP C[NH+](C)CCCS(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000632198541 370917513 /nfs/dbraw/zinc/91/75/13/370917513.db2.gz HHVSTIZWTRLMLG-UHFFFAOYSA-N 2 2 272.374 0.021 20 0 CCADLP CCC1([NH+](C)C)CC[NH+](CCN2CCNC2=O)CC1 ZINC000640015924 376193591 /nfs/dbraw/zinc/19/35/91/376193591.db2.gz PAXFOAPLIKGVPH-UHFFFAOYSA-N 2 2 268.405 0.818 20 0 CCADLP C[NH2+]CCOCCNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000627107087 368800662 /nfs/dbraw/zinc/80/06/62/368800662.db2.gz XBZVFMMCLUTMMB-UHFFFAOYSA-N 2 2 280.372 0.734 20 0 CCADLP CCC[C@@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])OCC ZINC000627122478 368813838 /nfs/dbraw/zinc/81/38/38/368813838.db2.gz HOHPFYPQNMOBFL-OLZOCXBDSA-N 2 2 286.420 0.476 20 0 CCADLP CCC[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])OCC ZINC000627122478 368813843 /nfs/dbraw/zinc/81/38/43/368813843.db2.gz HOHPFYPQNMOBFL-OLZOCXBDSA-N 2 2 286.420 0.476 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000627089473 368789257 /nfs/dbraw/zinc/78/92/57/368789257.db2.gz MTCXFJMZKJULBW-QWHCGFSZSA-N 2 2 284.404 0.134 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000627089473 368789261 /nfs/dbraw/zinc/78/92/61/368789261.db2.gz MTCXFJMZKJULBW-QWHCGFSZSA-N 2 2 284.404 0.134 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C[NH2+]1 ZINC000627207444 368879009 /nfs/dbraw/zinc/87/90/09/368879009.db2.gz REZACQWNRQFLFT-SYQHCUMBSA-N 2 2 296.415 0.289 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C[NH2+]1 ZINC000627207444 368879011 /nfs/dbraw/zinc/87/90/11/368879011.db2.gz REZACQWNRQFLFT-SYQHCUMBSA-N 2 2 296.415 0.289 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C[NH2+]1 ZINC000627209845 368882319 /nfs/dbraw/zinc/88/23/19/368882319.db2.gz JAMYYNXHGMEGPG-RDBSUJKOSA-N 2 2 296.415 0.243 20 0 CCADLP Cc1c[nH]c(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)[nH+]1 ZINC000628162753 369196468 /nfs/dbraw/zinc/19/64/68/369196468.db2.gz CKJANWYPVQDWGM-CHWSQXEVSA-N 2 2 264.373 0.749 20 0 CCADLP Cc1c[nH]c(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)[nH+]1 ZINC000628162807 369196522 /nfs/dbraw/zinc/19/65/22/369196522.db2.gz FGZHURLYADTNRL-UHFFFAOYSA-N 2 2 291.399 0.458 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000628121973 369186198 /nfs/dbraw/zinc/18/61/98/369186198.db2.gz FDKWHVZYLYJHQL-UHFFFAOYSA-N 2 2 292.383 0.515 20 0 CCADLP C[N@H+](Cc1c[nH+]c2n1CCC2)[C@@]1(CO)CCOC1 ZINC000628368057 369249891 /nfs/dbraw/zinc/24/98/91/369249891.db2.gz KQKZOLJWTHWPMS-CYBMUJFWSA-N 2 2 251.330 0.413 20 0 CCADLP C[N@@H+](Cc1c[nH+]c2n1CCC2)[C@@]1(CO)CCOC1 ZINC000628368057 369249896 /nfs/dbraw/zinc/24/98/96/369249896.db2.gz KQKZOLJWTHWPMS-CYBMUJFWSA-N 2 2 251.330 0.413 20 0 CCADLP CC(=O)[C@@](C)(O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330829829 203287145 /nfs/dbraw/zinc/28/71/45/203287145.db2.gz GQHNCRPZXDQRHE-ZDUSSCGKSA-N 2 2 251.330 0.929 20 0 CCADLP CC[C@H](C(=O)NC[C@@H]1COCC[N@@H+]1C)[NH+](CC)CC ZINC000628915432 369452567 /nfs/dbraw/zinc/45/25/67/369452567.db2.gz BKWOUTKQUURMID-CHWSQXEVSA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@H](C(=O)NC[C@@H]1COCC[N@H+]1C)[NH+](CC)CC ZINC000628915432 369452570 /nfs/dbraw/zinc/45/25/70/369452570.db2.gz BKWOUTKQUURMID-CHWSQXEVSA-N 2 2 271.405 0.554 20 0 CCADLP CCOC(=O)c1c[nH+]ccc1N1CCC[N@H+](CCO)CC1 ZINC000276253638 193257770 /nfs/dbraw/zinc/25/77/70/193257770.db2.gz MAKGWOIQUWQXSL-UHFFFAOYSA-N 2 2 293.367 0.763 20 0 CCADLP CCOC(=O)c1c[nH+]ccc1N1CCC[N@@H+](CCO)CC1 ZINC000276253638 193257771 /nfs/dbraw/zinc/25/77/71/193257771.db2.gz MAKGWOIQUWQXSL-UHFFFAOYSA-N 2 2 293.367 0.763 20 0 CCADLP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422864361 296146671 /nfs/dbraw/zinc/14/66/71/296146671.db2.gz UUVKBWWNVRDUAF-ZNMIVQPWSA-N 3 2 268.449 0.743 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)NC2CC2)CC[C@@H]1C(F)(F)F ZINC000629563567 369710035 /nfs/dbraw/zinc/71/00/35/369710035.db2.gz GKIHTTQCCAPSGJ-SCZZXKLOSA-N 2 2 279.306 0.724 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NC2CC2)CC[C@@H]1C(F)(F)F ZINC000629563567 369710037 /nfs/dbraw/zinc/71/00/37/369710037.db2.gz GKIHTTQCCAPSGJ-SCZZXKLOSA-N 2 2 279.306 0.724 20 0 CCADLP C[N@H+](CCOCC[NH3+])CC(=O)Nc1cc(F)ccc1F ZINC000629575913 369719538 /nfs/dbraw/zinc/71/95/38/369719538.db2.gz PYRGEJPNBFUYMH-UHFFFAOYSA-N 2 2 287.310 0.810 20 0 CCADLP C[N@@H+](CCOCC[NH3+])CC(=O)Nc1cc(F)ccc1F ZINC000629575913 369719542 /nfs/dbraw/zinc/71/95/42/369719542.db2.gz PYRGEJPNBFUYMH-UHFFFAOYSA-N 2 2 287.310 0.810 20 0 CCADLP CNC(=O)[C@@H]1C[N@H+](CCCc2c[nH+]ccc2C)CCO1 ZINC000276472956 193345252 /nfs/dbraw/zinc/34/52/52/193345252.db2.gz QSJXXRYNZKHVTJ-AWEZNQCLSA-N 2 2 277.368 0.769 20 0 CCADLP CNC(=O)[C@@H]1C[N@@H+](CCCc2c[nH+]ccc2C)CCO1 ZINC000276472956 193345254 /nfs/dbraw/zinc/34/52/54/193345254.db2.gz QSJXXRYNZKHVTJ-AWEZNQCLSA-N 2 2 277.368 0.769 20 0 CCADLP COc1cncc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000629535220 369695004 /nfs/dbraw/zinc/69/50/04/369695004.db2.gz CLLBLNWDOVWWTO-WDEREUQCSA-N 2 2 250.346 0.902 20 0 CCADLP COc1cncc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000629535220 369695006 /nfs/dbraw/zinc/69/50/06/369695006.db2.gz CLLBLNWDOVWWTO-WDEREUQCSA-N 2 2 250.346 0.902 20 0 CCADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000629546385 369698770 /nfs/dbraw/zinc/69/87/70/369698770.db2.gz UYFOLZGWBZJILU-CMPLNLGQSA-N 2 2 283.397 0.607 20 0 CCADLP COc1ccc(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000629654152 369749528 /nfs/dbraw/zinc/74/95/28/369749528.db2.gz WCFXBRKSEWROMM-UHFFFAOYSA-N 2 2 274.324 0.939 20 0 CCADLP CNS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000629673940 369753386 /nfs/dbraw/zinc/75/33/86/369753386.db2.gz QUUJYQZCPUDDCN-CHWSQXEVSA-N 2 2 291.461 0.621 20 0 CCADLP CNS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000629673940 369753390 /nfs/dbraw/zinc/75/33/90/369753390.db2.gz QUUJYQZCPUDDCN-CHWSQXEVSA-N 2 2 291.461 0.621 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629583502 369726560 /nfs/dbraw/zinc/72/65/60/369726560.db2.gz BBUZOWPYWRKSKW-XOUADPBQSA-N 2 2 295.427 0.602 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629583502 369726564 /nfs/dbraw/zinc/72/65/64/369726564.db2.gz BBUZOWPYWRKSKW-XOUADPBQSA-N 2 2 295.427 0.602 20 0 CCADLP C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629583500 369726624 /nfs/dbraw/zinc/72/66/24/369726624.db2.gz BBUZOWPYWRKSKW-DARAHFNDSA-N 2 2 295.427 0.602 20 0 CCADLP C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629583500 369726628 /nfs/dbraw/zinc/72/66/28/369726628.db2.gz BBUZOWPYWRKSKW-DARAHFNDSA-N 2 2 295.427 0.602 20 0 CCADLP CCS(=O)(=O)C1(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000629584897 369728152 /nfs/dbraw/zinc/72/81/52/369728152.db2.gz FNBFSCPLJDSJEO-GFCCVEGCSA-N 2 2 290.429 0.000 20 0 CCADLP CN(CC1CC1)C(=O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585351 369729483 /nfs/dbraw/zinc/72/94/83/369729483.db2.gz SKNYTESMUIFSMN-GASCZTMLSA-N 2 2 265.401 0.786 20 0 CCADLP CN(CC1CC1)C(=O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585351 369729486 /nfs/dbraw/zinc/72/94/86/369729486.db2.gz SKNYTESMUIFSMN-GASCZTMLSA-N 2 2 265.401 0.786 20 0 CCADLP C[N@H+](CC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CCC1 ZINC000629975065 369864170 /nfs/dbraw/zinc/86/41/70/369864170.db2.gz OYJJGKDBVLMMRS-SNVBAGLBSA-N 2 2 262.357 0.868 20 0 CCADLP C[N@@H+](CC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CCC1 ZINC000629975065 369864172 /nfs/dbraw/zinc/86/41/72/369864172.db2.gz OYJJGKDBVLMMRS-SNVBAGLBSA-N 2 2 262.357 0.868 20 0 CCADLP C[N@H+](CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CCC1 ZINC000629975065 369864175 /nfs/dbraw/zinc/86/41/75/369864175.db2.gz OYJJGKDBVLMMRS-SNVBAGLBSA-N 2 2 262.357 0.868 20 0 CCADLP C[N@@H+](CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CCC1 ZINC000629975065 369864178 /nfs/dbraw/zinc/86/41/78/369864178.db2.gz OYJJGKDBVLMMRS-SNVBAGLBSA-N 2 2 262.357 0.868 20 0 CCADLP Cc1cc(NC[C@H]2COCC[NH2+]2)nc(-c2ccncc2)[nH+]1 ZINC000630532914 370152768 /nfs/dbraw/zinc/15/27/68/370152768.db2.gz ODMKPJIWHGUBQJ-ZDUSSCGKSA-N 2 2 285.351 0.669 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000630546684 370162566 /nfs/dbraw/zinc/16/25/66/370162566.db2.gz SDNKOTLKJDPEON-WDEREUQCSA-N 2 2 263.345 0.476 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCOC[C@@H]2C)CC[N@@H+]1C ZINC000630926822 370323390 /nfs/dbraw/zinc/32/33/90/370323390.db2.gz BLUCMOSFOCWMJE-MELADBBJSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCOC[C@@H]2C)CC[N@H+]1C ZINC000630926822 370323393 /nfs/dbraw/zinc/32/33/93/370323393.db2.gz BLUCMOSFOCWMJE-MELADBBJSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC[NH+]1C ZINC000630926822 370323396 /nfs/dbraw/zinc/32/33/96/370323396.db2.gz BLUCMOSFOCWMJE-MELADBBJSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC[NH+]1C ZINC000630926822 370323399 /nfs/dbraw/zinc/32/33/99/370323399.db2.gz BLUCMOSFOCWMJE-MELADBBJSA-N 2 2 283.416 0.554 20 0 CCADLP OCCC[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631032264 370364052 /nfs/dbraw/zinc/36/40/52/370364052.db2.gz YYPVPUKKGJLQKV-UHFFFAOYSA-N 2 2 294.395 0.870 20 0 CCADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)C1 ZINC000631045253 370366531 /nfs/dbraw/zinc/36/65/31/370366531.db2.gz TVKKXNPCBJJGNS-KBPBESRZSA-N 2 2 293.415 0.746 20 0 CCADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)C1 ZINC000631045253 370366536 /nfs/dbraw/zinc/36/65/36/370366536.db2.gz TVKKXNPCBJJGNS-KBPBESRZSA-N 2 2 293.415 0.746 20 0 CCADLP Cc1nc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)nc(N)[nH+]1 ZINC000631123501 370392110 /nfs/dbraw/zinc/39/21/10/370392110.db2.gz UTRWZOLKEYNFLZ-NSHDSACASA-N 2 2 292.387 0.505 20 0 CCADLP Cc1nc(N)nc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)[nH+]1 ZINC000631123501 370392115 /nfs/dbraw/zinc/39/21/15/370392115.db2.gz UTRWZOLKEYNFLZ-NSHDSACASA-N 2 2 292.387 0.505 20 0 CCADLP CCC(CC)[C@@H](CNc1nc(C)[nH+]c(N)n1)[NH+](C)C ZINC000631051898 370370150 /nfs/dbraw/zinc/37/01/50/370370150.db2.gz YGZKGBSKVAMFMF-LLVKDONJSA-N 2 2 266.393 0.793 20 0 CCADLP CNS(=O)(=O)CCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000631229861 370429911 /nfs/dbraw/zinc/42/99/11/370429911.db2.gz QPPKAPBLIQBEBC-WDEREUQCSA-N 2 2 275.418 0.141 20 0 CCADLP CNS(=O)(=O)CCC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000631229861 370429916 /nfs/dbraw/zinc/42/99/16/370429916.db2.gz QPPKAPBLIQBEBC-WDEREUQCSA-N 2 2 275.418 0.141 20 0 CCADLP Cc1nc(NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)nc(N)[nH+]1 ZINC000631161063 370408479 /nfs/dbraw/zinc/40/84/79/370408479.db2.gz JNMXPSOFIBSZRD-QWRGUYRKSA-N 2 2 294.403 0.316 20 0 CCADLP Cc1nc(N)nc(NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)[nH+]1 ZINC000631161063 370408480 /nfs/dbraw/zinc/40/84/80/370408480.db2.gz JNMXPSOFIBSZRD-QWRGUYRKSA-N 2 2 294.403 0.316 20 0 CCADLP Cc1nc(N2CC[C@H](c3[nH+]ccn3C)C2)nc(N)[nH+]1 ZINC000631181367 370413899 /nfs/dbraw/zinc/41/38/99/370413899.db2.gz CIRWULNGULCCRI-VIFPVBQESA-N 2 2 259.317 0.320 20 0 CCADLP Cc1cc(NC(=O)c2cnn(CC[NH+](C)C)c2)cc[nH+]1 ZINC000631254653 370438347 /nfs/dbraw/zinc/43/83/47/370438347.db2.gz ROZQYYNOLDEZAN-UHFFFAOYSA-N 2 2 273.340 0.822 20 0 CCADLP Cc1nc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)nc(N)[nH+]1 ZINC000631337855 370481665 /nfs/dbraw/zinc/48/16/65/370481665.db2.gz HZLPGKQBTCMSIS-GFCCVEGCSA-N 2 2 292.387 0.284 20 0 CCADLP Cc1cnn(CC[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000331803477 204180668 /nfs/dbraw/zinc/18/06/68/204180668.db2.gz CGJAHZXZTWEUFC-UHFFFAOYSA-N 2 2 274.372 0.732 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1C[C@@H](CO)[C@H](C(F)(F)F)C1)C1CC1 ZINC000640043124 376207620 /nfs/dbraw/zinc/20/76/20/376207620.db2.gz CDJDPCMGUXKDHX-MVWJERBFSA-N 2 2 296.333 0.544 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1C[C@@H](CO)[C@H](C(F)(F)F)C1)C1CC1 ZINC000640043124 376207621 /nfs/dbraw/zinc/20/76/21/376207621.db2.gz CDJDPCMGUXKDHX-MVWJERBFSA-N 2 2 296.333 0.544 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1)C1CC1 ZINC000640043124 376207624 /nfs/dbraw/zinc/20/76/24/376207624.db2.gz CDJDPCMGUXKDHX-MVWJERBFSA-N 2 2 296.333 0.544 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1)C1CC1 ZINC000640043124 376207626 /nfs/dbraw/zinc/20/76/26/376207626.db2.gz CDJDPCMGUXKDHX-MVWJERBFSA-N 2 2 296.333 0.544 20 0 CCADLP C[C@@H](O)C[N@H+](C)C1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000340862660 296176923 /nfs/dbraw/zinc/17/69/23/296176923.db2.gz AKMGRNAIJCDCRH-TZMCWYRMSA-N 2 2 283.416 0.432 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000340862660 296176924 /nfs/dbraw/zinc/17/69/24/296176924.db2.gz AKMGRNAIJCDCRH-TZMCWYRMSA-N 2 2 283.416 0.432 20 0 CCADLP C[NH2+][C@@H](C)Cc1noc([C@]2(COC)CCCC[NH2+]2)n1 ZINC000634557154 372082077 /nfs/dbraw/zinc/08/20/77/372082077.db2.gz OJEBBLFZDGDUBL-GXFFZTMASA-N 2 2 268.361 0.835 20 0 CCADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)CC2(O)CCOCC2)C1 ZINC000634722289 372169001 /nfs/dbraw/zinc/16/90/01/372169001.db2.gz MWTFYQCGFGBEOZ-KBPBESRZSA-N 2 2 286.416 0.353 20 0 CCADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CC2(O)CCOCC2)C1 ZINC000634722289 372169004 /nfs/dbraw/zinc/16/90/04/372169004.db2.gz MWTFYQCGFGBEOZ-KBPBESRZSA-N 2 2 286.416 0.353 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCO[C@@H](C(F)F)CC1 ZINC000634758959 372206190 /nfs/dbraw/zinc/20/61/90/372206190.db2.gz ZFLHPQPQNUJYEM-NWDGAFQWSA-N 2 2 296.358 0.282 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCO[C@@H](C(F)F)CC1 ZINC000634758959 372206199 /nfs/dbraw/zinc/20/61/99/372206199.db2.gz ZFLHPQPQNUJYEM-NWDGAFQWSA-N 2 2 296.358 0.282 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634758959 372206204 /nfs/dbraw/zinc/20/62/04/372206204.db2.gz ZFLHPQPQNUJYEM-NWDGAFQWSA-N 2 2 296.358 0.282 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634758959 372206209 /nfs/dbraw/zinc/20/62/09/372206209.db2.gz ZFLHPQPQNUJYEM-NWDGAFQWSA-N 2 2 296.358 0.282 20 0 CCADLP Nc1[nH+]cnc(N2CCC[C@H]3C[NH2+]C[C@H]32)c1Cl ZINC000634810667 372255516 /nfs/dbraw/zinc/25/55/16/372255516.db2.gz DNOSGEYMXAYXGA-JGVFFNPUSA-N 2 2 253.737 0.900 20 0 CCADLP Cn1ncc2c1nc(N)[nH+]c2N[C@H]1CCC[NH2+]CC1 ZINC000634813697 372258554 /nfs/dbraw/zinc/25/85/54/372258554.db2.gz UOIYRSIOLVETGD-QMMMGPOBSA-N 2 2 261.333 0.330 20 0 CCADLP C[NH+](C)[C@@H]1CCN(CCn2cc(Cn3cc[nH+]c3)nn2)C1 ZINC000656443703 412796292 /nfs/dbraw/zinc/79/62/92/412796292.db2.gz OGRMBEHXWNOBJT-CQSZACIVSA-N 2 2 289.387 0.159 20 0 CCADLP O=C(NC1CC1)N[C@H]1CC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634994011 372328827 /nfs/dbraw/zinc/32/88/27/372328827.db2.gz NOVFHFKJROHENC-KHJSKFAYSA-N 2 2 264.373 0.274 20 0 CCADLP O=C(NC1CC1)N[C@H]1CC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634994011 372328833 /nfs/dbraw/zinc/32/88/33/372328833.db2.gz NOVFHFKJROHENC-KHJSKFAYSA-N 2 2 264.373 0.274 20 0 CCADLP CCn1cc(C[NH+]2CCC([NH2+]CCO)CC2)cn1 ZINC000635001173 372337247 /nfs/dbraw/zinc/33/72/47/372337247.db2.gz JBLSWYZHTOYJFU-UHFFFAOYSA-N 2 2 252.362 0.449 20 0 CCADLP COCCn1cc(C[NH+]2CCC([NH2+]CCO)CC2)cn1 ZINC000635001190 372338151 /nfs/dbraw/zinc/33/81/51/372338151.db2.gz JYGRYJPKSBRTME-UHFFFAOYSA-N 2 2 282.388 0.076 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)[C@@H](C)O1 ZINC000635003538 372340551 /nfs/dbraw/zinc/34/05/51/372340551.db2.gz DQBJOIYJCUPUGC-SJVBDLOYSA-N 2 2 254.374 0.909 20 0 CCADLP C[C@H](C(=O)N1CC[NH+](Cc2ccco2)CC1)[NH+](C)C ZINC000635157033 372398027 /nfs/dbraw/zinc/39/80/27/372398027.db2.gz IVARHAMHZLLZES-GFCCVEGCSA-N 2 2 265.357 0.874 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635312573 372456181 /nfs/dbraw/zinc/45/61/81/372456181.db2.gz DBEKPYZNEPIGJN-CHWSQXEVSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635312573 372456186 /nfs/dbraw/zinc/45/61/86/372456186.db2.gz DBEKPYZNEPIGJN-CHWSQXEVSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635313689 372456707 /nfs/dbraw/zinc/45/67/07/372456707.db2.gz NGWLMTLQYHVTSP-UKRRQHHQSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635313689 372456712 /nfs/dbraw/zinc/45/67/12/372456712.db2.gz NGWLMTLQYHVTSP-UKRRQHHQSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)C[C@H]2CC[NH+](C)C2)CCO1 ZINC000635465399 372534595 /nfs/dbraw/zinc/53/45/95/372534595.db2.gz MVINMQMNGQMARK-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)C[C@H]2CC[NH+](C)C2)CCO1 ZINC000635465399 372534602 /nfs/dbraw/zinc/53/46/02/372534602.db2.gz MVINMQMNGQMARK-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)C[C@H]2CC[N@H+](C)C2)CCO1 ZINC000635465399 372534612 /nfs/dbraw/zinc/53/46/12/372534612.db2.gz MVINMQMNGQMARK-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CCO1 ZINC000635465399 372534620 /nfs/dbraw/zinc/53/46/20/372534620.db2.gz MVINMQMNGQMARK-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC[NH+]1C1CCCC1 ZINC000635500618 372565214 /nfs/dbraw/zinc/56/52/14/372565214.db2.gz HKPFWTJUAYNPSS-DZGCQCFKSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC[NH+]1C1CCCC1 ZINC000635500618 372565217 /nfs/dbraw/zinc/56/52/17/372565217.db2.gz HKPFWTJUAYNPSS-DZGCQCFKSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635500618 372565218 /nfs/dbraw/zinc/56/52/18/372565218.db2.gz HKPFWTJUAYNPSS-DZGCQCFKSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635500618 372565221 /nfs/dbraw/zinc/56/52/21/372565221.db2.gz HKPFWTJUAYNPSS-DZGCQCFKSA-N 2 2 295.427 0.840 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)C12CCC[NH+](CCC1)C2 ZINC000635478667 372543779 /nfs/dbraw/zinc/54/37/79/372543779.db2.gz GNILHNOAECLVQC-UHFFFAOYSA-N 2 2 295.427 0.653 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000635546430 372610834 /nfs/dbraw/zinc/61/08/34/372610834.db2.gz SJBKVQQTYQFGGP-GFCCVEGCSA-N 2 2 257.378 0.117 20 0 CCADLP C[C@H]1[NH2+]CCC[C@H]1NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000333128033 205053699 /nfs/dbraw/zinc/05/36/99/205053699.db2.gz BJEFVNVYNFTQJA-CHWSQXEVSA-N 2 2 298.431 0.537 20 0 CCADLP C[C@H]1[NH2+]CCC[C@H]1NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000333128033 205053702 /nfs/dbraw/zinc/05/37/02/205053702.db2.gz BJEFVNVYNFTQJA-CHWSQXEVSA-N 2 2 298.431 0.537 20 0 CCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2COCC[NH+]2CC)C1 ZINC000347681036 284346623 /nfs/dbraw/zinc/34/66/23/284346623.db2.gz IVYRNZDZXWDGIV-UONOGXRCSA-N 2 2 283.416 0.507 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2COCC[NH+]2CC)C1 ZINC000347681036 284346625 /nfs/dbraw/zinc/34/66/25/284346625.db2.gz IVYRNZDZXWDGIV-UONOGXRCSA-N 2 2 283.416 0.507 20 0 CCADLP CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CC)C1 ZINC000347681036 284346627 /nfs/dbraw/zinc/34/66/27/284346627.db2.gz IVYRNZDZXWDGIV-UONOGXRCSA-N 2 2 283.416 0.507 20 0 CCADLP CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CC)C1 ZINC000347681036 284346629 /nfs/dbraw/zinc/34/66/29/284346629.db2.gz IVYRNZDZXWDGIV-UONOGXRCSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000333239291 205145250 /nfs/dbraw/zinc/14/52/50/205145250.db2.gz DNKOQAPPJJIWDX-MQYQWHSLSA-N 2 2 256.390 0.894 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000333408336 205296878 /nfs/dbraw/zinc/29/68/78/205296878.db2.gz QYDDLIIPXFGZEV-LBPRGKRZSA-N 2 2 284.404 0.148 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000333408336 205296883 /nfs/dbraw/zinc/29/68/83/205296883.db2.gz QYDDLIIPXFGZEV-LBPRGKRZSA-N 2 2 284.404 0.148 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635890155 373060110 /nfs/dbraw/zinc/06/01/10/373060110.db2.gz ZYDWSIHFIZBTFM-YNEHKIRRSA-N 2 2 294.399 0.722 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635890155 373060115 /nfs/dbraw/zinc/06/01/15/373060115.db2.gz ZYDWSIHFIZBTFM-YNEHKIRRSA-N 2 2 294.399 0.722 20 0 CCADLP CC(C)C[C@@H](C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)n1cc[nH+]c1 ZINC000635949003 373144887 /nfs/dbraw/zinc/14/48/87/373144887.db2.gz XRHSHUGHDTVPQV-IHRRRGAJSA-N 2 2 294.399 0.604 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000636011132 373241212 /nfs/dbraw/zinc/24/12/12/373241212.db2.gz AXKXDRXMHXINGC-ZDUSSCGKSA-N 2 2 294.399 0.532 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000636011132 373241216 /nfs/dbraw/zinc/24/12/16/373241216.db2.gz AXKXDRXMHXINGC-ZDUSSCGKSA-N 2 2 294.399 0.532 20 0 CCADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000636073274 373329444 /nfs/dbraw/zinc/32/94/44/373329444.db2.gz JUFGQFGMVDIWDO-VXGBXAGGSA-N 2 2 262.357 0.656 20 0 CCADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000636073274 373329445 /nfs/dbraw/zinc/32/94/45/373329445.db2.gz JUFGQFGMVDIWDO-VXGBXAGGSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)[C@@H]1CCCC[NH+]1C ZINC000636035530 373284866 /nfs/dbraw/zinc/28/48/66/373284866.db2.gz SFOCVIJSJMGOFO-MJBXVCDLSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)[C@@H]1CCCC[NH+]1C ZINC000636035530 373284870 /nfs/dbraw/zinc/28/48/70/373284870.db2.gz SFOCVIJSJMGOFO-MJBXVCDLSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@@H]1C[NH+](CCO)[C@@H](C)CN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000636035530 373284874 /nfs/dbraw/zinc/28/48/74/373284874.db2.gz SFOCVIJSJMGOFO-MJBXVCDLSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@@H]1C[NH+](CCO)[C@@H](C)CN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC000636035530 373284880 /nfs/dbraw/zinc/28/48/80/373284880.db2.gz SFOCVIJSJMGOFO-MJBXVCDLSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@H](C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C)[NH+](C)C ZINC000636171174 373425606 /nfs/dbraw/zinc/42/56/06/373425606.db2.gz FVFNNJOCHHMZHA-GRYCIOLGSA-N 2 2 257.378 0.162 20 0 CCADLP C[C@H](C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C)[NH+](C)C ZINC000636171174 373425611 /nfs/dbraw/zinc/42/56/11/373425611.db2.gz FVFNNJOCHHMZHA-GRYCIOLGSA-N 2 2 257.378 0.162 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C[C@H]2CC[NH+](C)C2)[C@H](C)CO1 ZINC000636170818 373426811 /nfs/dbraw/zinc/42/68/11/373426811.db2.gz CBJCLSSITOQOQD-MGPQQGTHSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C[C@H]2CC[NH+](C)C2)[C@H](C)CO1 ZINC000636170818 373426821 /nfs/dbraw/zinc/42/68/21/373426821.db2.gz CBJCLSSITOQOQD-MGPQQGTHSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)C[C@H]2CC[N@H+](C)C2)[C@H](C)CO1 ZINC000636170818 373426827 /nfs/dbraw/zinc/42/68/27/373426827.db2.gz CBJCLSSITOQOQD-MGPQQGTHSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H](C)CO1 ZINC000636170818 373426840 /nfs/dbraw/zinc/42/68/40/373426840.db2.gz CBJCLSSITOQOQD-MGPQQGTHSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](C)CO1 ZINC000636172011 373429281 /nfs/dbraw/zinc/42/92/81/373429281.db2.gz SIFTYIXIULAZKR-IHRRRGAJSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](C)CO1 ZINC000636172011 373429291 /nfs/dbraw/zinc/42/92/91/373429291.db2.gz SIFTYIXIULAZKR-IHRRRGAJSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](C)CO1 ZINC000636172011 373429297 /nfs/dbraw/zinc/42/92/97/373429297.db2.gz SIFTYIXIULAZKR-IHRRRGAJSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](C)CO1 ZINC000636172011 373429302 /nfs/dbraw/zinc/42/93/02/373429302.db2.gz SIFTYIXIULAZKR-IHRRRGAJSA-N 2 2 283.416 0.696 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000636292448 373528506 /nfs/dbraw/zinc/52/85/06/373528506.db2.gz CUOKNBXADPKABC-UHFFFAOYSA-N 2 2 299.378 0.665 20 0 CCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636557686 373644404 /nfs/dbraw/zinc/64/44/04/373644404.db2.gz YNKQBGPPVNCROL-OLZOCXBDSA-N 2 2 291.399 0.981 20 0 CCADLP CC[N@H+](CCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000636714139 373720510 /nfs/dbraw/zinc/72/05/10/373720510.db2.gz KUQYFOHRXOZWGO-LLVKDONJSA-N 2 2 277.372 0.591 20 0 CCADLP CC[N@@H+](CCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000636714139 373720516 /nfs/dbraw/zinc/72/05/16/373720516.db2.gz KUQYFOHRXOZWGO-LLVKDONJSA-N 2 2 277.372 0.591 20 0 CCADLP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000636630851 373683495 /nfs/dbraw/zinc/68/34/95/373683495.db2.gz FHFWWYAEIRSDPT-CHWSQXEVSA-N 2 2 291.399 0.839 20 0 CCADLP CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000636630851 373683502 /nfs/dbraw/zinc/68/35/02/373683502.db2.gz FHFWWYAEIRSDPT-CHWSQXEVSA-N 2 2 291.399 0.839 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636689075 373707511 /nfs/dbraw/zinc/70/75/11/373707511.db2.gz NVSQHHRQBHFAOE-LLVKDONJSA-N 2 2 274.328 0.312 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000636910094 373815665 /nfs/dbraw/zinc/81/56/65/373815665.db2.gz ZLBPFCIPCUPBOW-QLFBSQMISA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000636910094 373815670 /nfs/dbraw/zinc/81/56/70/373815670.db2.gz ZLBPFCIPCUPBOW-QLFBSQMISA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2COCC[N@@H+]2CC)[C@H](C)C1 ZINC000636910094 373815675 /nfs/dbraw/zinc/81/56/75/373815675.db2.gz ZLBPFCIPCUPBOW-QLFBSQMISA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2COCC[N@H+]2CC)[C@H](C)C1 ZINC000636910094 373815679 /nfs/dbraw/zinc/81/56/79/373815679.db2.gz ZLBPFCIPCUPBOW-QLFBSQMISA-N 2 2 297.443 0.896 20 0 CCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@@H]1COCC[NH+]1C ZINC000637447480 374171594 /nfs/dbraw/zinc/17/15/94/374171594.db2.gz OSOWRZGYNAWYHR-KGLIPLIRSA-N 2 2 298.431 0.299 20 0 CCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H]1COCC[NH+]1C ZINC000637447480 374171603 /nfs/dbraw/zinc/17/16/03/374171603.db2.gz OSOWRZGYNAWYHR-KGLIPLIRSA-N 2 2 298.431 0.299 20 0 CCADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637447480 374171613 /nfs/dbraw/zinc/17/16/13/374171613.db2.gz OSOWRZGYNAWYHR-KGLIPLIRSA-N 2 2 298.431 0.299 20 0 CCADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637447480 374171619 /nfs/dbraw/zinc/17/16/19/374171619.db2.gz OSOWRZGYNAWYHR-KGLIPLIRSA-N 2 2 298.431 0.299 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000656538892 412819156 /nfs/dbraw/zinc/81/91/56/412819156.db2.gz JYQLCBAEPCIKOQ-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000656538892 412819159 /nfs/dbraw/zinc/81/91/59/412819159.db2.gz JYQLCBAEPCIKOQ-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CCN(C(=O)NCC[NH+]1CCOCC1)[C@H]1CC[N@H+](C)C1 ZINC000656540104 412819206 /nfs/dbraw/zinc/81/92/06/412819206.db2.gz DBCMLVSQRLLMKV-ZDUSSCGKSA-N 2 2 284.404 0.054 20 0 CCADLP CCN(C(=O)NCC[NH+]1CCOCC1)[C@H]1CC[N@@H+](C)C1 ZINC000656540104 412819209 /nfs/dbraw/zinc/81/92/09/412819209.db2.gz DBCMLVSQRLLMKV-ZDUSSCGKSA-N 2 2 284.404 0.054 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCC[C@@H]([NH3+])C1)CC2 ZINC000637798665 374324290 /nfs/dbraw/zinc/32/42/90/374324290.db2.gz MVNAWXBUKGXXAI-NWDGAFQWSA-N 2 2 262.357 0.704 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H]1C)Cn1cc[nH+]c1 ZINC000568395552 291590363 /nfs/dbraw/zinc/59/03/63/291590363.db2.gz OHGFTGKLFIDTLZ-UTUOFQBUSA-N 2 2 250.346 0.633 20 0 CCADLP CC[NH2+]CCNC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000637826206 374364427 /nfs/dbraw/zinc/36/44/27/374364427.db2.gz LTUQRZBEABMXKJ-NSHDSACASA-N 2 2 250.346 0.480 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[NH2+][C@H](C)C1)CC2 ZINC000637843020 374395626 /nfs/dbraw/zinc/39/56/26/374395626.db2.gz YYJGHSQVKHYKCB-PWSUYJOCSA-N 2 2 262.357 0.574 20 0 CCADLP CCc1c[nH]c(CC(=O)NCC[C@@H]2CC[NH2+]C2)[nH+]1 ZINC000637833212 374376984 /nfs/dbraw/zinc/37/69/84/374376984.db2.gz QRRYATOIAKWQRD-JTQLQIEISA-N 2 2 250.346 0.630 20 0 CCADLP COc1cc[nH+]cc1NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000574521127 335026451 /nfs/dbraw/zinc/02/64/51/335026451.db2.gz JUOGBWIQPSKNSF-UHFFFAOYSA-N 2 2 290.327 0.673 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H]([NH3+])c2cccc(OC)c2)CC1 ZINC000638047304 374588910 /nfs/dbraw/zinc/58/89/10/374588910.db2.gz MVNZSCMQYURMIT-AWEZNQCLSA-N 2 2 277.368 0.859 20 0 CCADLP [NH3+][C@H]1CC=C(C(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000638051585 374593846 /nfs/dbraw/zinc/59/38/46/374593846.db2.gz LMBCBXJDRINZME-NSHDSACASA-N 2 2 256.309 0.998 20 0 CCADLP C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1Cc1c[nH+]c(N)nc1N ZINC000638053712 374596251 /nfs/dbraw/zinc/59/62/51/374596251.db2.gz AGMVEWIQJSAPTI-RYUDHWBXSA-N 2 2 276.388 0.360 20 0 CCADLP C[N@H+]1CCC[C@H]1[C@@H]1CCCN1Cc1c[nH+]c(N)nc1N ZINC000638053712 374596256 /nfs/dbraw/zinc/59/62/56/374596256.db2.gz AGMVEWIQJSAPTI-RYUDHWBXSA-N 2 2 276.388 0.360 20 0 CCADLP O=C(CCC1C[NH2+]C1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000638076348 374631215 /nfs/dbraw/zinc/63/12/15/374631215.db2.gz KOLQCKMILLWBJY-CQSZACIVSA-N 2 2 281.400 0.309 20 0 CCADLP [NH3+]C[C@]1(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CCCOC1 ZINC000638077424 374632099 /nfs/dbraw/zinc/63/20/99/374632099.db2.gz SHRCMOHSAALLCG-SWLSCSKDSA-N 2 2 292.383 0.871 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)CN3CC[NH2+]CC3)cn2c1 ZINC000638074882 374628441 /nfs/dbraw/zinc/62/84/41/374628441.db2.gz BFOKOYUBJDTDHD-UHFFFAOYSA-N 2 2 287.367 0.164 20 0 CCADLP [NH3+]C[C@@]1(C(=O)NCCCNc2cccc[nH+]2)CCCOC1 ZINC000638074001 374628484 /nfs/dbraw/zinc/62/84/84/374628484.db2.gz ZGXHALIJGLSQBB-HNNXBMFYSA-N 2 2 292.383 0.755 20 0 CCADLP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NCc1[nH]cc[nH+]1 ZINC000638115354 374682495 /nfs/dbraw/zinc/68/24/95/374682495.db2.gz QSESAJJPPKBFRO-ZDUSSCGKSA-N 2 2 287.367 0.485 20 0 CCADLP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)NCc1[nH]cc[nH+]1 ZINC000638115354 374682506 /nfs/dbraw/zinc/68/25/06/374682506.db2.gz QSESAJJPPKBFRO-ZDUSSCGKSA-N 2 2 287.367 0.485 20 0 CCADLP COC[C@@]1(C(=O)NCc2[nH]cc[nH+]2)CCCC[NH2+]1 ZINC000638115038 374682734 /nfs/dbraw/zinc/68/27/34/374682734.db2.gz NXOIYLUMXQZABT-GFCCVEGCSA-N 2 2 252.318 0.185 20 0 CCADLP C[C@]1(C(=O)NCc2ccn3cc[nH+]c3c2)C[NH2+]CCO1 ZINC000638119451 374686784 /nfs/dbraw/zinc/68/67/84/374686784.db2.gz RLHQNVOFOPPRPM-CQSZACIVSA-N 2 2 274.324 0.329 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638121597 374689001 /nfs/dbraw/zinc/68/90/01/374689001.db2.gz HATNVNXLMYPYPQ-AWEZNQCLSA-N 2 2 280.372 0.534 20 0 CCADLP CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1c[nH+]c(N)nc1N ZINC000638149417 374719614 /nfs/dbraw/zinc/71/96/14/374719614.db2.gz RNHBLDRCAQDZGA-QWHCGFSZSA-N 2 2 290.415 0.750 20 0 CCADLP CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1c[nH+]c(N)nc1N ZINC000638149417 374719620 /nfs/dbraw/zinc/71/96/20/374719620.db2.gz RNHBLDRCAQDZGA-QWHCGFSZSA-N 2 2 290.415 0.750 20 0 CCADLP COCC[NH2+]CCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000638153013 374722851 /nfs/dbraw/zinc/72/28/51/374722851.db2.gz NAGKVRDYFMQRMB-ZDUSSCGKSA-N 2 2 282.388 0.823 20 0 CCADLP CCc1c[nH]c(CC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)[nH+]1 ZINC000638157075 374730109 /nfs/dbraw/zinc/73/01/09/374730109.db2.gz BESWVWQRPBKUAR-ZJUUUORDSA-N 2 2 250.346 0.723 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)[nH+]1 ZINC000638248988 374843956 /nfs/dbraw/zinc/84/39/56/374843956.db2.gz WUOZDGHAXIXBOL-ZYHUDNBSSA-N 2 2 262.357 0.725 20 0 CCADLP C[NH2+]CCCN(C)C(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000638347238 374948162 /nfs/dbraw/zinc/94/81/62/374948162.db2.gz PNYIEMAGEUCURS-GFCCVEGCSA-N 2 2 264.373 0.822 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC2 ZINC000638371847 374967768 /nfs/dbraw/zinc/96/77/68/374967768.db2.gz UARAIDQMAWUDMA-JFGNBEQYSA-N 2 2 264.373 0.996 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638401883 374997029 /nfs/dbraw/zinc/99/70/29/374997029.db2.gz IFYUQBFIWRNPFE-LBPRGKRZSA-N 2 2 252.318 0.124 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638401883 374997035 /nfs/dbraw/zinc/99/70/35/374997035.db2.gz IFYUQBFIWRNPFE-LBPRGKRZSA-N 2 2 252.318 0.124 20 0 CCADLP COc1cccc(C[C@H]([NH3+])C(=O)N(C)Cc2c[nH+]c[nH]2)c1 ZINC000638402209 374998494 /nfs/dbraw/zinc/99/84/94/374998494.db2.gz JLZQOPDGEASISF-AWEZNQCLSA-N 2 2 288.351 0.947 20 0 CCADLP COc1cccc(C[C@H]([NH3+])C(=O)N(C)Cc2c[nH]c[nH+]2)c1 ZINC000638402209 374998502 /nfs/dbraw/zinc/99/85/02/374998502.db2.gz JLZQOPDGEASISF-AWEZNQCLSA-N 2 2 288.351 0.947 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000638407465 375005245 /nfs/dbraw/zinc/00/52/45/375005245.db2.gz ACNJCSHPAWSFCY-NWDGAFQWSA-N 2 2 295.383 0.886 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000638407465 375005250 /nfs/dbraw/zinc/00/52/50/375005250.db2.gz ACNJCSHPAWSFCY-NWDGAFQWSA-N 2 2 295.383 0.886 20 0 CCADLP O[C@@H](C[NH2+]Cc1cc2c(cn1)OCCO2)C[NH+]1CCCC1 ZINC000638411457 375008065 /nfs/dbraw/zinc/00/80/65/375008065.db2.gz IRWIRNZOBUCVAL-ZDUSSCGKSA-N 2 2 293.367 0.399 20 0 CCADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NCc1c[nH+]c(N)nc1N ZINC000638417492 375015973 /nfs/dbraw/zinc/01/59/73/375015973.db2.gz HWZRYICSISYKKF-GRYCIOLGSA-N 2 2 292.431 0.758 20 0 CCADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NCc1c[nH+]c(N)nc1N ZINC000638417492 375015975 /nfs/dbraw/zinc/01/59/75/375015975.db2.gz HWZRYICSISYKKF-GRYCIOLGSA-N 2 2 292.431 0.758 20 0 CCADLP C[C@H]([NH3+])CC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000638425976 375022933 /nfs/dbraw/zinc/02/29/33/375022933.db2.gz PQPNSQPSUHOPNE-LBPRGKRZSA-N 2 2 269.389 0.295 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[NH2+]C[C@H]2C(C)C)[nH+]1 ZINC000638490535 375083872 /nfs/dbraw/zinc/08/38/72/375083872.db2.gz AANXUIXXLHCFKS-LBPRGKRZSA-N 2 2 264.373 0.971 20 0 CCADLP Cc1cc(NCCNC(=O)[C@H](C)[C@@H](C)[NH3+])nc(C(C)C)[nH+]1 ZINC000638584292 375165015 /nfs/dbraw/zinc/16/50/15/375165015.db2.gz SOHHQWGVAXMRHX-VXGBXAGGSA-N 2 2 293.415 0.842 20 0 CCADLP Cc1cc(NCCNC(=O)C[NH2+]C(C)C)nc(C(C)C)[nH+]1 ZINC000638584697 375165693 /nfs/dbraw/zinc/16/56/93/375165693.db2.gz NCSFNBCBADUFHZ-UHFFFAOYSA-N 2 2 293.415 0.856 20 0 CCADLP C[NH2+]CCOCCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000638594554 375176002 /nfs/dbraw/zinc/17/60/02/375176002.db2.gz QYIHNBBURZGZHS-UHFFFAOYSA-N 2 2 290.367 0.951 20 0 CCADLP CCOC1CC(C[NH2+]C2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000638522668 375116839 /nfs/dbraw/zinc/11/68/39/375116839.db2.gz MRQZIETWBPRTBU-UHFFFAOYSA-N 2 2 297.443 0.944 20 0 CCADLP COCC[N@@H+]1CC[C@@H]([NH2+]C2CC(n3cccn3)C2)C1 ZINC000638637534 375240577 /nfs/dbraw/zinc/24/05/77/375240577.db2.gz SCLMTCULSKVCPX-IYXRBSQSSA-N 2 2 264.373 0.897 20 0 CCADLP COCC[N@H+]1CC[C@@H]([NH2+]C2CC(n3cccn3)C2)C1 ZINC000638637534 375240581 /nfs/dbraw/zinc/24/05/81/375240581.db2.gz SCLMTCULSKVCPX-IYXRBSQSSA-N 2 2 264.373 0.897 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)nn2)C[NH2+]1 ZINC000638644812 375249896 /nfs/dbraw/zinc/24/98/96/375249896.db2.gz SJYALORKIPAUBK-GHMZBOCLSA-N 2 2 286.339 0.533 20 0 CCADLP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638608444 375188945 /nfs/dbraw/zinc/18/89/45/375188945.db2.gz AYVUFUBMOQNSDQ-NWDGAFQWSA-N 2 2 271.405 0.457 20 0 CCADLP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000638608444 375188950 /nfs/dbraw/zinc/18/89/50/375188950.db2.gz AYVUFUBMOQNSDQ-NWDGAFQWSA-N 2 2 271.405 0.457 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000638611238 375192881 /nfs/dbraw/zinc/19/28/81/375192881.db2.gz NCCAWFSFLVOJGA-DZGCQCFKSA-N 2 2 289.379 0.320 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000638611238 375192883 /nfs/dbraw/zinc/19/28/83/375192883.db2.gz NCCAWFSFLVOJGA-DZGCQCFKSA-N 2 2 289.379 0.320 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000638612088 375194384 /nfs/dbraw/zinc/19/43/84/375194384.db2.gz SHPSKGKIXVFEII-VGVBULKLSA-N 2 2 295.427 0.587 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000638612088 375194388 /nfs/dbraw/zinc/19/43/88/375194388.db2.gz SHPSKGKIXVFEII-VGVBULKLSA-N 2 2 295.427 0.587 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000638612622 375197246 /nfs/dbraw/zinc/19/72/46/375197246.db2.gz WBGWFDXRVCTBHW-KGLIPLIRSA-N 2 2 277.368 0.523 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000638612622 375197251 /nfs/dbraw/zinc/19/72/51/375197251.db2.gz WBGWFDXRVCTBHW-KGLIPLIRSA-N 2 2 277.368 0.523 20 0 CCADLP C[C@@H](CC(=O)NCCOCCC[NH3+])n1cc[nH+]c1 ZINC000638663499 375267555 /nfs/dbraw/zinc/26/75/55/375267555.db2.gz MJKMHRGOHIVAFU-NSHDSACASA-N 2 2 254.334 0.316 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC12CC2 ZINC000638795480 375364710 /nfs/dbraw/zinc/36/47/10/375364710.db2.gz ONQDEGBCUBFVGY-NWDGAFQWSA-N 2 2 253.390 0.962 20 0 CCADLP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@@H]1CSC[NH2+]1 ZINC000568747714 291617951 /nfs/dbraw/zinc/61/79/51/291617951.db2.gz KRPPDSNVDVSVEV-NSHDSACASA-N 2 2 279.365 0.770 20 0 CCADLP Cc1cnc(C[NH2+]CCCN2CC[NH+](C)CC2)o1 ZINC000638848978 375405289 /nfs/dbraw/zinc/40/52/89/375405289.db2.gz ONYVIFLAUTZCLK-UHFFFAOYSA-N 2 2 252.362 0.710 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638966651 375487398 /nfs/dbraw/zinc/48/73/98/375487398.db2.gz ILDOKRNCSTXNJB-JOCQHMNTSA-N 2 2 298.431 0.077 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638966651 375487403 /nfs/dbraw/zinc/48/74/03/375487403.db2.gz ILDOKRNCSTXNJB-JOCQHMNTSA-N 2 2 298.431 0.077 20 0 CCADLP Nc1ccc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cn1 ZINC000638984025 375496606 /nfs/dbraw/zinc/49/66/06/375496606.db2.gz PGBPEACGJUJXSF-UHFFFAOYSA-N 2 2 298.350 0.551 20 0 CCADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1csnn1 ZINC000638988488 375501675 /nfs/dbraw/zinc/50/16/75/375501675.db2.gz YWSPGURYPABJSJ-UHFFFAOYSA-N 2 2 290.352 0.595 20 0 CCADLP C[C@H](C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21)[NH+]1CCN(C)CC1 ZINC000639023710 375528866 /nfs/dbraw/zinc/52/88/66/375528866.db2.gz LRTZFDDNRZRRJA-KFWWJZLASA-N 2 2 294.443 0.223 20 0 CCADLP COc1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)sn1 ZINC000639049723 375547407 /nfs/dbraw/zinc/54/74/07/375547407.db2.gz YQVRLPFESSNNPM-NSHDSACASA-N 2 2 257.359 0.308 20 0 CCADLP COc1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)sn1 ZINC000639049723 375547413 /nfs/dbraw/zinc/54/74/13/375547413.db2.gz YQVRLPFESSNNPM-NSHDSACASA-N 2 2 257.359 0.308 20 0 CCADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]CCC[C@H]1CCO1 ZINC000639217238 375638041 /nfs/dbraw/zinc/63/80/41/375638041.db2.gz CMJGKGCKPWBOBI-KGLIPLIRSA-N 2 2 256.390 0.992 20 0 CCADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]CCC[C@H]1CCO1 ZINC000639217238 375638047 /nfs/dbraw/zinc/63/80/47/375638047.db2.gz CMJGKGCKPWBOBI-KGLIPLIRSA-N 2 2 256.390 0.992 20 0 CCADLP C[C@@H](Cc1cnccn1)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000639219147 375641388 /nfs/dbraw/zinc/64/13/88/375641388.db2.gz PZIXOFJFDJIYET-ZFWWWQNUSA-N 2 2 278.400 0.844 20 0 CCADLP C[C@@H](Cc1cnccn1)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000639219147 375641393 /nfs/dbraw/zinc/64/13/93/375641393.db2.gz PZIXOFJFDJIYET-ZFWWWQNUSA-N 2 2 278.400 0.844 20 0 CCADLP Cn1c[nH+]cc1CCN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000639434777 375781567 /nfs/dbraw/zinc/78/15/67/375781567.db2.gz PNJLEJAPLLXHLE-OAHLLOKOSA-N 2 2 278.400 0.759 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@@H]1CC(N)=O ZINC000639475377 375794333 /nfs/dbraw/zinc/79/43/33/375794333.db2.gz VZWGAFCJWQBCJA-LLVKDONJSA-N 2 2 250.346 0.693 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@@H]1CC(N)=O ZINC000639475377 375794339 /nfs/dbraw/zinc/79/43/39/375794339.db2.gz VZWGAFCJWQBCJA-LLVKDONJSA-N 2 2 250.346 0.693 20 0 CCADLP c1cnc(CC[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cn1 ZINC000639498762 375809904 /nfs/dbraw/zinc/80/99/04/375809904.db2.gz YOZRTOWLDPIJGD-CQSZACIVSA-N 2 2 276.384 0.673 20 0 CCADLP c1cnc(CC[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cn1 ZINC000639498762 375809908 /nfs/dbraw/zinc/80/99/08/375809908.db2.gz YOZRTOWLDPIJGD-CQSZACIVSA-N 2 2 276.384 0.673 20 0 CCADLP c1nc2n(n1)[C@@H](C[N@@H+]1CC[C@@H](C[NH+]3CCOCC3)C1)CC2 ZINC000639496897 375810175 /nfs/dbraw/zinc/81/01/75/375810175.db2.gz IJECAYRJUDAEIQ-UONOGXRCSA-N 2 2 291.399 0.420 20 0 CCADLP c1nc2n(n1)[C@@H](C[N@H+]1CC[C@@H](C[NH+]3CCOCC3)C1)CC2 ZINC000639496897 375810181 /nfs/dbraw/zinc/81/01/81/375810181.db2.gz IJECAYRJUDAEIQ-UONOGXRCSA-N 2 2 291.399 0.420 20 0 CCADLP C[C@H]1OCC[C@H]1[N@H+](CCO)CCc1c[nH+]cn1C ZINC000639619565 375865377 /nfs/dbraw/zinc/86/53/77/375865377.db2.gz FZJRDUOKOBFDOS-DGCLKSJQSA-N 2 2 253.346 0.434 20 0 CCADLP C[C@H]1OCC[C@H]1[N@@H+](CCO)CCc1c[nH+]cn1C ZINC000639619565 375865382 /nfs/dbraw/zinc/86/53/82/375865382.db2.gz FZJRDUOKOBFDOS-DGCLKSJQSA-N 2 2 253.346 0.434 20 0 CCADLP CC[N@H+](CCc1c[nH+]cn1C)[C@H]1CCS(=O)(=O)C1 ZINC000639521396 375822156 /nfs/dbraw/zinc/82/21/56/375822156.db2.gz DALMAEUBIXDZMH-LBPRGKRZSA-N 2 2 271.386 0.472 20 0 CCADLP CC[N@@H+](CCc1c[nH+]cn1C)[C@H]1CCS(=O)(=O)C1 ZINC000639521396 375822160 /nfs/dbraw/zinc/82/21/60/375822160.db2.gz DALMAEUBIXDZMH-LBPRGKRZSA-N 2 2 271.386 0.472 20 0 CCADLP CN(C)C(=O)[C@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000639672688 375903819 /nfs/dbraw/zinc/90/38/19/375903819.db2.gz DHKILVZUVAFOKI-NSHDSACASA-N 2 2 250.346 0.373 20 0 CCADLP CN(C)C(=O)[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000639672688 375903822 /nfs/dbraw/zinc/90/38/22/375903822.db2.gz DHKILVZUVAFOKI-NSHDSACASA-N 2 2 250.346 0.373 20 0 CCADLP C[C@@H](c1nnnn1C)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639684138 375915435 /nfs/dbraw/zinc/91/54/35/375915435.db2.gz RRDVGAIWZLTJOE-LBPRGKRZSA-N 2 2 287.371 0.878 20 0 CCADLP Cc1cc(C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)ncn1 ZINC000639765179 375995957 /nfs/dbraw/zinc/99/59/57/375995957.db2.gz HSMPHDKJKTYDKE-CQSZACIVSA-N 2 2 264.373 0.674 20 0 CCADLP Cc1cc(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)ncn1 ZINC000639765179 375995963 /nfs/dbraw/zinc/99/59/63/375995963.db2.gz HSMPHDKJKTYDKE-CQSZACIVSA-N 2 2 264.373 0.674 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC=C(c2cnn(C)c2)C1 ZINC000639796239 376014708 /nfs/dbraw/zinc/01/47/08/376014708.db2.gz QNYHMWVFDCFFBV-HNNXBMFYSA-N 2 2 278.400 0.822 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC=C(c2cnn(C)c2)C1 ZINC000639796239 376014714 /nfs/dbraw/zinc/01/47/14/376014714.db2.gz QNYHMWVFDCFFBV-HNNXBMFYSA-N 2 2 278.400 0.822 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000639796239 376014723 /nfs/dbraw/zinc/01/47/23/376014723.db2.gz QNYHMWVFDCFFBV-HNNXBMFYSA-N 2 2 278.400 0.822 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000639796239 376014729 /nfs/dbraw/zinc/01/47/29/376014729.db2.gz QNYHMWVFDCFFBV-HNNXBMFYSA-N 2 2 278.400 0.822 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000639762876 375990548 /nfs/dbraw/zinc/99/05/48/375990548.db2.gz ALDQTUYEVNIFGF-INIZCTEOSA-N 2 2 291.395 0.674 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000639762876 375990554 /nfs/dbraw/zinc/99/05/54/375990554.db2.gz ALDQTUYEVNIFGF-INIZCTEOSA-N 2 2 291.395 0.674 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC000639762983 375990673 /nfs/dbraw/zinc/99/06/73/375990673.db2.gz PGCBRZYOUMFVQK-RYUDHWBXSA-N 2 2 278.343 0.799 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC000639762983 375990676 /nfs/dbraw/zinc/99/06/76/375990676.db2.gz PGCBRZYOUMFVQK-RYUDHWBXSA-N 2 2 278.343 0.799 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762726 375990686 /nfs/dbraw/zinc/99/06/86/375990686.db2.gz MXOIFMLKFZTBER-OAHLLOKOSA-N 3 2 280.416 0.741 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762726 375990693 /nfs/dbraw/zinc/99/06/93/375990693.db2.gz MXOIFMLKFZTBER-OAHLLOKOSA-N 3 2 280.416 0.741 20 0 CCADLP Cn1cncc1CCC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762726 375990698 /nfs/dbraw/zinc/99/06/98/375990698.db2.gz MXOIFMLKFZTBER-OAHLLOKOSA-N 2 2 280.416 0.741 20 0 CCADLP Cn1cncc1CCC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762726 375990706 /nfs/dbraw/zinc/99/07/06/375990706.db2.gz MXOIFMLKFZTBER-OAHLLOKOSA-N 2 2 280.416 0.741 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639848714 376061866 /nfs/dbraw/zinc/06/18/66/376061866.db2.gz IVSVLGUBINEJCZ-STQMWFEESA-N 2 2 253.346 0.170 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639848714 376061870 /nfs/dbraw/zinc/06/18/70/376061870.db2.gz IVSVLGUBINEJCZ-STQMWFEESA-N 2 2 253.346 0.170 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)C1CCCCC1 ZINC000640051649 376218807 /nfs/dbraw/zinc/21/88/07/376218807.db2.gz USEWXDBVUGNXQD-OAHLLOKOSA-N 2 2 297.443 0.633 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)C1CCCCC1 ZINC000640051649 376218813 /nfs/dbraw/zinc/21/88/13/376218813.db2.gz USEWXDBVUGNXQD-OAHLLOKOSA-N 2 2 297.443 0.633 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC(F)F ZINC000640193606 376266156 /nfs/dbraw/zinc/26/61/56/376266156.db2.gz OZBRVUGFMKJSIL-UHFFFAOYSA-N 2 2 266.336 0.434 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC(F)F ZINC000640193606 376266160 /nfs/dbraw/zinc/26/61/60/376266160.db2.gz OZBRVUGFMKJSIL-UHFFFAOYSA-N 2 2 266.336 0.434 20 0 CCADLP O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000640321764 376311525 /nfs/dbraw/zinc/31/15/25/376311525.db2.gz KKMOQHDFEUXXTG-CHWSQXEVSA-N 2 2 292.383 0.018 20 0 CCADLP C[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C(F)F ZINC000640997346 376657925 /nfs/dbraw/zinc/65/79/25/376657925.db2.gz PCGWGIWWIVGXGG-SNVBAGLBSA-N 2 2 280.363 0.823 20 0 CCADLP C[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C(F)F ZINC000640997346 376657930 /nfs/dbraw/zinc/65/79/30/376657930.db2.gz PCGWGIWWIVGXGG-SNVBAGLBSA-N 2 2 280.363 0.823 20 0 CCADLP [NH3+][C@H](CO)Cc1cn(Cc2[nH+]ccn2-c2ccccc2)nn1 ZINC000641129008 376800572 /nfs/dbraw/zinc/80/05/72/376800572.db2.gz AGBWUCOMRIIIRJ-LBPRGKRZSA-N 2 2 298.350 0.374 20 0 CCADLP Cc1[nH]c(Cn2cc(CC[NH+]3CCOCC3)nn2)[nH+]c1C ZINC000641156478 376818627 /nfs/dbraw/zinc/81/86/27/376818627.db2.gz SKJLAIGVCSTXCF-UHFFFAOYSA-N 2 2 290.371 0.541 20 0 CCADLP COCC[N@H+](C)Cc1cn(CCCn2cc[nH+]c2C)nn1 ZINC000641149775 376813325 /nfs/dbraw/zinc/81/33/25/376813325.db2.gz MJRHCIZHTPAAOI-UHFFFAOYSA-N 2 2 292.387 0.952 20 0 CCADLP COCC[N@@H+](C)Cc1cn(CCCn2cc[nH+]c2C)nn1 ZINC000641149775 376813330 /nfs/dbraw/zinc/81/33/30/376813330.db2.gz MJRHCIZHTPAAOI-UHFFFAOYSA-N 2 2 292.387 0.952 20 0 CCADLP CC(C)Oc1cc[nH+]c(Cn2cc([C@@H]([NH3+])CO)nn2)c1 ZINC000641202004 376877994 /nfs/dbraw/zinc/87/79/94/376877994.db2.gz OXYTVNVTQNGZOP-LBPRGKRZSA-N 2 2 277.328 0.501 20 0 CCADLP OCc1cc[nH+]c(NCCCC[NH+]2CCOCC2)c1 ZINC000641295050 376975196 /nfs/dbraw/zinc/97/51/96/376975196.db2.gz NEBFSCAHNGMFPR-UHFFFAOYSA-N 2 2 265.357 0.520 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNc2nccnc2C(N)=O)CC1 ZINC000641440782 377121426 /nfs/dbraw/zinc/12/14/26/377121426.db2.gz LLVLPSHODOQDOP-UHFFFAOYSA-N 2 2 292.387 0.013 20 0 CCADLP CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641541508 377244250 /nfs/dbraw/zinc/24/42/50/377244250.db2.gz QLKBLORHUJBLIQ-GFCCVEGCSA-N 2 2 286.401 0.239 20 0 CCADLP CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641541508 377244258 /nfs/dbraw/zinc/24/42/58/377244258.db2.gz QLKBLORHUJBLIQ-GFCCVEGCSA-N 2 2 286.401 0.239 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3cc(F)ccc3F)CCN2C1=O ZINC000574651569 335037397 /nfs/dbraw/zinc/03/73/97/335037397.db2.gz OFOPWSAETFJMTF-AAEUAGOBSA-N 2 2 281.306 0.709 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3cc(F)ccc3F)CCN2C1=O ZINC000574651569 335037399 /nfs/dbraw/zinc/03/73/99/335037399.db2.gz OFOPWSAETFJMTF-AAEUAGOBSA-N 2 2 281.306 0.709 20 0 CCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313348274 248998249 /nfs/dbraw/zinc/99/82/49/248998249.db2.gz KWVLXKLGFDVBLQ-VXGBXAGGSA-N 2 2 257.378 0.341 20 0 CCADLP CCCCNC(=O)[C@@H](C)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313348274 248998251 /nfs/dbraw/zinc/99/82/51/248998251.db2.gz KWVLXKLGFDVBLQ-VXGBXAGGSA-N 2 2 257.378 0.341 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1cnc(N(C)C)nc1 ZINC000641773826 377455815 /nfs/dbraw/zinc/45/58/15/377455815.db2.gz ZRYJIRRSAOVHCF-AWEZNQCLSA-N 2 2 295.431 0.725 20 0 CCADLP c1cc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)n[nH]1 ZINC000641787838 377464669 /nfs/dbraw/zinc/46/46/69/377464669.db2.gz FMDBCESRJZNEEH-HNNXBMFYSA-N 2 2 293.415 0.296 20 0 CCADLP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)c1nnnn1C1CC1 ZINC000641801524 377470878 /nfs/dbraw/zinc/47/08/78/377470878.db2.gz RQRURMXHAVMCHT-SFGNSQDASA-N 2 2 250.350 0.784 20 0 CCADLP CCc1cc(=O)[nH]c(C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)n1 ZINC000641802392 377474470 /nfs/dbraw/zinc/47/44/70/377474470.db2.gz KKHPSBLCFSDKQA-NXEZZACHSA-N 2 2 250.346 0.960 20 0 CCADLP COC(=O)CN1CCC([NH2+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000428403448 249017943 /nfs/dbraw/zinc/01/79/43/249017943.db2.gz OYGKONQBCJVAHZ-CYBMUJFWSA-N 2 2 292.383 0.425 20 0 CCADLP CN(C)S(=O)(=O)CCC[NH2+]C(C)(C)C[NH+](C)C ZINC000459542561 249042621 /nfs/dbraw/zinc/04/26/21/249042621.db2.gz AHLGGLZEXDKIOI-UHFFFAOYSA-N 2 2 265.423 0.198 20 0 CCADLP Cn1nccc1[C@H](CO)[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000459779662 249060852 /nfs/dbraw/zinc/06/08/52/249060852.db2.gz XZOHGUNHLMFRLB-OLZOCXBDSA-N 2 2 266.389 0.918 20 0 CCADLP Cn1nccc1[C@H](CO)[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000459779662 249060853 /nfs/dbraw/zinc/06/08/53/249060853.db2.gz XZOHGUNHLMFRLB-OLZOCXBDSA-N 2 2 266.389 0.918 20 0 CCADLP COC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000507261328 249089492 /nfs/dbraw/zinc/08/94/92/249089492.db2.gz GGKNXLPCJUVXRN-FUDCBSFHSA-N 2 2 283.416 0.695 20 0 CCADLP COC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000507261328 249089495 /nfs/dbraw/zinc/08/94/95/249089495.db2.gz GGKNXLPCJUVXRN-FUDCBSFHSA-N 2 2 283.416 0.695 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000514598189 249092233 /nfs/dbraw/zinc/09/22/33/249092233.db2.gz GXPCGAVLVPZIMO-SJORKVTESA-N 2 2 291.439 0.816 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000514598189 249092234 /nfs/dbraw/zinc/09/22/34/249092234.db2.gz GXPCGAVLVPZIMO-SJORKVTESA-N 2 2 291.439 0.816 20 0 CCADLP C[C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C[NH+](C)C ZINC000515356312 249129916 /nfs/dbraw/zinc/12/99/16/249129916.db2.gz VQKWHJXQCQTDGC-QWRGUYRKSA-N 2 2 252.362 0.902 20 0 CCADLP C[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C[NH+](C)C ZINC000515356312 249129919 /nfs/dbraw/zinc/12/99/19/249129919.db2.gz VQKWHJXQCQTDGC-QWRGUYRKSA-N 2 2 252.362 0.902 20 0 CCADLP CCOCC[C@H](O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000516978054 249196228 /nfs/dbraw/zinc/19/62/28/249196228.db2.gz YYTSTKMUOQOFHV-STQMWFEESA-N 2 2 267.373 0.997 20 0 CCADLP CCOCC[C@H](O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000516978054 249196230 /nfs/dbraw/zinc/19/62/30/249196230.db2.gz YYTSTKMUOQOFHV-STQMWFEESA-N 2 2 267.373 0.997 20 0 CCADLP O[C@H]1CCCC[C@@H]1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000517122847 249203723 /nfs/dbraw/zinc/20/37/23/249203723.db2.gz LCJKLNMOOBDRAP-CBBWQLFWSA-N 2 2 268.401 0.894 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)c1cnccn1)[C@H]1CCCC[NH2+]1 ZINC000569472635 291682274 /nfs/dbraw/zinc/68/22/74/291682274.db2.gz IQDRELNMJHFARK-NWDGAFQWSA-N 2 2 277.372 0.327 20 0 CCADLP C[C@@H]1CN(c2cc(N3CCOCC3)[nH+]cn2)[C@H](C)C[NH2+]1 ZINC000643023089 377692304 /nfs/dbraw/zinc/69/23/04/377692304.db2.gz NIQKLNYMHCHBIB-VXGBXAGGSA-N 2 2 277.372 0.500 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000278722621 194122436 /nfs/dbraw/zinc/12/24/36/194122436.db2.gz CPDXZRYSCYJZTB-UHFFFAOYSA-N 2 2 294.399 0.842 20 0 CCADLP O=C(c1n[nH]c2c1C[NH2+]CC2)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000372898256 296301547 /nfs/dbraw/zinc/30/15/47/296301547.db2.gz CIVSFTQYCDSOIS-AOOOYVTPSA-N 2 2 275.356 0.022 20 0 CCADLP c1cc2c(cc1C[NH2+]C[C@H]1C[NH2+]CCCO1)OCCO2 ZINC000574739412 335043620 /nfs/dbraw/zinc/04/36/20/335043620.db2.gz XYSJZWRCTXTNRV-CYBMUJFWSA-N 2 2 278.352 0.926 20 0 CCADLP Cc1cc(N[C@@H](CO)C[NH+]2CCOCC2)nc(C)[nH+]1 ZINC000657208608 412929406 /nfs/dbraw/zinc/92/94/06/412929406.db2.gz AKOMWDBABSQNJY-GFCCVEGCSA-N 2 2 266.345 0.198 20 0 CCADLP C[NH+](C)[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000279148577 194305730 /nfs/dbraw/zinc/30/57/30/194305730.db2.gz GZOKYTXYSGEORW-LLVKDONJSA-N 2 2 250.346 0.895 20 0 CCADLP CC(C)[C@H](CNC(=O)CCc1[nH]cc[nH+]1)[NH+]1CCOCC1 ZINC000279286400 194369579 /nfs/dbraw/zinc/36/95/79/194369579.db2.gz YERKKSJQZMPTMN-ZDUSSCGKSA-N 2 2 294.399 0.815 20 0 CCADLP O=C1NCCC[C@@H]1[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000334768747 207042499 /nfs/dbraw/zinc/04/24/99/207042499.db2.gz AMBDHGJMGBPPJN-OLZOCXBDSA-N 2 2 251.374 0.683 20 0 CCADLP O=C1NCCC[C@@H]1[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000334768747 207042501 /nfs/dbraw/zinc/04/25/01/207042501.db2.gz AMBDHGJMGBPPJN-OLZOCXBDSA-N 2 2 251.374 0.683 20 0 CCADLP CCCn1nccc1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000657327542 412961875 /nfs/dbraw/zinc/96/18/75/412961875.db2.gz WIPYLPPGAZTVJZ-AWEZNQCLSA-N 2 2 266.389 0.839 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@]2(C)CCC[NH2+]C2)CC1 ZINC000237114026 284964250 /nfs/dbraw/zinc/96/42/50/284964250.db2.gz LRKBQIRWJQVWEG-CQSZACIVSA-N 2 2 269.389 0.167 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)[C@H](C)[NH2+]C2CC2)C[C@@H]1C ZINC000449126492 532957704 /nfs/dbraw/zinc/95/77/04/532957704.db2.gz MBOOKSURWCFRLH-RYUDHWBXSA-N 2 2 269.389 0.306 20 0 CCADLP COCC[N@H+]1CCN(C(=O)[C@H](C)[NH2+]C2CC2)C[C@@H]1C ZINC000449126492 532957709 /nfs/dbraw/zinc/95/77/09/532957709.db2.gz MBOOKSURWCFRLH-RYUDHWBXSA-N 2 2 269.389 0.306 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CCNS(=O)(=O)CC)[C@@H](C)C1 ZINC000246439789 285019701 /nfs/dbraw/zinc/01/97/01/285019701.db2.gz DKKBIEZDHODGAN-QWHCGFSZSA-N 2 2 291.461 0.588 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CCNS(=O)(=O)CC)[C@@H](C)C1 ZINC000246439789 285019703 /nfs/dbraw/zinc/01/97/03/285019703.db2.gz DKKBIEZDHODGAN-QWHCGFSZSA-N 2 2 291.461 0.588 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CCNS(=O)(=O)CC)[C@@H](C)C1 ZINC000246439789 285019704 /nfs/dbraw/zinc/01/97/04/285019704.db2.gz DKKBIEZDHODGAN-QWHCGFSZSA-N 2 2 291.461 0.588 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CCNS(=O)(=O)CC)[C@@H](C)C1 ZINC000246439789 285019707 /nfs/dbraw/zinc/01/97/07/285019707.db2.gz DKKBIEZDHODGAN-QWHCGFSZSA-N 2 2 291.461 0.588 20 0 CCADLP COCC[NH2+]CC[NH2+]Cc1cc2c(c(OC)c1)OCO2 ZINC000414866329 533028124 /nfs/dbraw/zinc/02/81/24/533028124.db2.gz APNSZLZVYGVAPA-UHFFFAOYSA-N 2 2 282.340 0.750 20 0 CCADLP COCC[NH2+]CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000414888394 285081916 /nfs/dbraw/zinc/08/19/16/285081916.db2.gz RNTLZWYZTJXRFF-UPJWGTAASA-N 2 2 254.374 0.770 20 0 CCADLP Cc1cc(CNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])cc(C)[nH+]1 ZINC000572002064 291851693 /nfs/dbraw/zinc/85/16/93/291851693.db2.gz ZZGHMRUKSNYGAQ-NXEZZACHSA-N 2 2 292.383 0.557 20 0 CCADLP O=C1NCCC[C@H]1[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000336724394 296370535 /nfs/dbraw/zinc/37/05/35/296370535.db2.gz JNFLKMNECKFIES-CYBMUJFWSA-N 2 2 251.374 0.825 20 0 CCADLP COCC[C@@H](COC)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000336813677 285135520 /nfs/dbraw/zinc/13/55/20/285135520.db2.gz CYTJZHWWZKPMQJ-NSHDSACASA-N 2 2 270.377 0.627 20 0 CCADLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000289299206 197288571 /nfs/dbraw/zinc/28/85/71/197288571.db2.gz IAEHSFITZDMVKF-VXGBXAGGSA-N 2 2 290.367 0.489 20 0 CCADLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC000289299206 197288572 /nfs/dbraw/zinc/28/85/72/197288572.db2.gz IAEHSFITZDMVKF-VXGBXAGGSA-N 2 2 290.367 0.489 20 0 CCADLP CC(C)(C)n1nnc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)n1 ZINC000657440008 412993309 /nfs/dbraw/zinc/99/33/09/412993309.db2.gz KBNVJBDZAZIDJM-SNVBAGLBSA-N 2 2 275.360 0.729 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccnn2CC2CC2)C1 ZINC000657438175 412993334 /nfs/dbraw/zinc/99/33/34/412993334.db2.gz ZUAGRFOHOBRDSK-CQSZACIVSA-N 2 2 264.373 0.449 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccnn2CC2CC2)C1 ZINC000657438175 412993341 /nfs/dbraw/zinc/99/33/41/412993341.db2.gz ZUAGRFOHOBRDSK-CQSZACIVSA-N 2 2 264.373 0.449 20 0 CCADLP c1cc2c(cc1C[NH2+]C[C@@H]1C[NH2+]CCO1)OCCO2 ZINC000258953805 285153771 /nfs/dbraw/zinc/15/37/71/285153771.db2.gz RBBAAFMPCCMDQK-LBPRGKRZSA-N 2 2 264.325 0.536 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H](C)O)C2)CC1 ZINC000305168193 285170130 /nfs/dbraw/zinc/17/01/30/285170130.db2.gz IMPVBCRWRBRBSF-SOUVJXGZSA-N 2 2 297.443 0.632 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H](C)O)C2)CC1 ZINC000305168193 285170135 /nfs/dbraw/zinc/17/01/35/285170135.db2.gz IMPVBCRWRBRBSF-SOUVJXGZSA-N 2 2 297.443 0.632 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCC(C)(C)O)CC1 ZINC000572552621 291887812 /nfs/dbraw/zinc/88/78/12/291887812.db2.gz VYSPASAETQXPKC-UHFFFAOYSA-N 2 2 285.432 0.680 20 0 CCADLP CO[C@H]1COCC[C@@H]1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657480365 413003542 /nfs/dbraw/zinc/00/35/42/413003542.db2.gz WESKGGCFDLVSOC-YPMHNXCESA-N 2 2 265.357 0.970 20 0 CCADLP CC[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[N@@H+]1C[C@@H](C)O ZINC000288542431 197107161 /nfs/dbraw/zinc/10/71/61/197107161.db2.gz QFLNSWGFFSMREG-OLZOCXBDSA-N 2 2 294.399 0.646 20 0 CCADLP CC[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[N@H+]1C[C@@H](C)O ZINC000288542431 197107163 /nfs/dbraw/zinc/10/71/63/197107163.db2.gz QFLNSWGFFSMREG-OLZOCXBDSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Cn1cc[nH+]c1 ZINC000288477692 197088598 /nfs/dbraw/zinc/08/85/98/197088598.db2.gz QTWBCIKFFMNOPK-STQMWFEESA-N 2 2 262.357 0.968 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C ZINC000288222875 197030254 /nfs/dbraw/zinc/03/02/54/197030254.db2.gz ZSYRCLGENQXBOR-LBPRGKRZSA-N 2 2 280.372 0.521 20 0 CCADLP COCC[N@H+]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C ZINC000288222875 197030256 /nfs/dbraw/zinc/03/02/56/197030256.db2.gz ZSYRCLGENQXBOR-LBPRGKRZSA-N 2 2 280.372 0.521 20 0 CCADLP COC[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000395982891 285229730 /nfs/dbraw/zinc/22/97/30/285229730.db2.gz ANZHUGXZCPJHGS-KGLIPLIRSA-N 2 2 256.390 0.942 20 0 CCADLP COC[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000395982891 285229732 /nfs/dbraw/zinc/22/97/32/285229732.db2.gz ANZHUGXZCPJHGS-KGLIPLIRSA-N 2 2 256.390 0.942 20 0 CCADLP COC[C@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000395982891 285229735 /nfs/dbraw/zinc/22/97/35/285229735.db2.gz ANZHUGXZCPJHGS-KGLIPLIRSA-N 2 2 256.390 0.942 20 0 CCADLP COC[C@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000395982891 285229739 /nfs/dbraw/zinc/22/97/39/285229739.db2.gz ANZHUGXZCPJHGS-KGLIPLIRSA-N 2 2 256.390 0.942 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C1CCN(C(N)=O)CC1 ZINC000657525579 413020312 /nfs/dbraw/zinc/02/03/12/413020312.db2.gz STOKGIHMGNDFIW-GFCCVEGCSA-N 2 2 268.405 0.992 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C1CCN(C(N)=O)CC1 ZINC000657525579 413020318 /nfs/dbraw/zinc/02/03/18/413020318.db2.gz STOKGIHMGNDFIW-GFCCVEGCSA-N 2 2 268.405 0.992 20 0 CCADLP CC[N@@H+]1CCC[C@H](NC[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000516175852 285268506 /nfs/dbraw/zinc/26/85/06/285268506.db2.gz WCWUPYGPBRHDRR-VGWMRTNUSA-N 2 2 299.459 0.530 20 0 CCADLP CC[N@H+]1CCC[C@H](NC[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000516175852 285268507 /nfs/dbraw/zinc/26/85/07/285268507.db2.gz WCWUPYGPBRHDRR-VGWMRTNUSA-N 2 2 299.459 0.530 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(CCO)CC2)CC1 ZINC000521657748 285285526 /nfs/dbraw/zinc/28/55/26/285285526.db2.gz ZOBOKRFWVYCFDC-AWEZNQCLSA-N 2 2 297.443 0.633 20 0 CCADLP CC[C@@]1(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CCC[NH2+]1 ZINC000184158730 388770455 /nfs/dbraw/zinc/77/04/55/388770455.db2.gz FZCUYMJNJVISQA-HNNXBMFYSA-N 2 2 283.416 0.746 20 0 CCADLP CC[C@@]1(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CCC[NH2+]1 ZINC000184158730 388770457 /nfs/dbraw/zinc/77/04/57/388770457.db2.gz FZCUYMJNJVISQA-HNNXBMFYSA-N 2 2 283.416 0.746 20 0 CCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)CCC[NH+](C)C ZINC000186027245 388820655 /nfs/dbraw/zinc/82/06/55/388820655.db2.gz PKBWGERCURWFDS-AWEZNQCLSA-N 2 2 299.463 0.215 20 0 CCADLP Cc1[nH]c2ccc(NC(=O)[C@@H]3C[NH2+]CCO3)cc2[nH+]1 ZINC000043709065 388869506 /nfs/dbraw/zinc/86/95/06/388869506.db2.gz SHSJATUVFLBVLR-LBPRGKRZSA-N 2 2 260.297 0.798 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cn[nH]c1 ZINC000037842172 388849292 /nfs/dbraw/zinc/84/92/92/388849292.db2.gz SMQXLLHAUHMWRM-UHFFFAOYSA-N 2 2 279.388 0.508 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cn[nH]c1 ZINC000037842172 388849296 /nfs/dbraw/zinc/84/92/96/388849296.db2.gz SMQXLLHAUHMWRM-UHFFFAOYSA-N 2 2 279.388 0.508 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000289832319 388896612 /nfs/dbraw/zinc/89/66/12/388896612.db2.gz DQUXPYPDZYMZKG-NEPJUHHUSA-N 2 2 250.346 0.633 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NCC[N@H+](C)C1CC1 ZINC000290764533 388912001 /nfs/dbraw/zinc/91/20/01/388912001.db2.gz QHDUOHIXMCCWGP-UHFFFAOYSA-N 2 2 251.334 0.314 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NCC[N@@H+](C)C1CC1 ZINC000290764533 388912002 /nfs/dbraw/zinc/91/20/02/388912002.db2.gz QHDUOHIXMCCWGP-UHFFFAOYSA-N 2 2 251.334 0.314 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1c[nH+]cn1C ZINC000290802266 388913209 /nfs/dbraw/zinc/91/32/09/388913209.db2.gz UWCJDVPBAKDXLW-ZWNOBZJWSA-N 2 2 277.372 0.702 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1c[nH+]cn1C ZINC000290802266 388913211 /nfs/dbraw/zinc/91/32/11/388913211.db2.gz UWCJDVPBAKDXLW-ZWNOBZJWSA-N 2 2 277.372 0.702 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)c2coc(C[NH3+])c2)CC1 ZINC000188227243 388919310 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CC(C)(O)CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000364399275 389262069 /nfs/dbraw/zinc/26/20/69/389262069.db2.gz HXNJQKDGVXXVLD-ZDUSSCGKSA-N 2 2 256.390 0.802 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000245445434 389208390 /nfs/dbraw/zinc/20/83/90/389208390.db2.gz YWJIDMBKYDRIJI-NEPJUHHUSA-N 2 2 284.404 0.494 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000245445434 389208393 /nfs/dbraw/zinc/20/83/93/389208393.db2.gz YWJIDMBKYDRIJI-NEPJUHHUSA-N 2 2 284.404 0.494 20 0 CCADLP CCNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000245445434 389208395 /nfs/dbraw/zinc/20/83/95/389208395.db2.gz YWJIDMBKYDRIJI-NEPJUHHUSA-N 2 2 284.404 0.494 20 0 CCADLP CCNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000245445434 389208397 /nfs/dbraw/zinc/20/83/97/389208397.db2.gz YWJIDMBKYDRIJI-NEPJUHHUSA-N 2 2 284.404 0.494 20 0 CCADLP CC(C)[N@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@H]1CCOC1 ZINC000361416679 389216054 /nfs/dbraw/zinc/21/60/54/389216054.db2.gz 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ZINC000361416683 389216341 /nfs/dbraw/zinc/21/63/41/389216341.db2.gz UGCLHHCHJXDDCC-UONOGXRCSA-N 2 2 256.390 0.941 20 0 CCADLP CC(C)[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@H]1CCOC1 ZINC000361416683 389216343 /nfs/dbraw/zinc/21/63/43/389216343.db2.gz UGCLHHCHJXDDCC-UONOGXRCSA-N 2 2 256.390 0.941 20 0 CCADLP C[C@@H](O)[C@H]1CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000362277302 389232936 /nfs/dbraw/zinc/23/29/36/389232936.db2.gz JSFCPMCUEYOSPF-MNOVXSKESA-N 2 2 252.362 0.689 20 0 CCADLP C[C@@H](O)[C@H]1CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000362277302 389232938 /nfs/dbraw/zinc/23/29/38/389232938.db2.gz JSFCPMCUEYOSPF-MNOVXSKESA-N 2 2 252.362 0.689 20 0 CCADLP CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CCC[N@@H+](C)C1 ZINC000247057770 389235883 /nfs/dbraw/zinc/23/58/83/389235883.db2.gz ZOYCDQQIVIMKOG-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP CC(C)(CNC(=O)N1CCC[NH2+]CC1)[NH+]1CCOCC1 ZINC000331947824 389316849 /nfs/dbraw/zinc/31/68/49/389316849.db2.gz GVYPYTJVINJMRO-UHFFFAOYSA-N 2 2 284.404 0.102 20 0 CCADLP CCC[N@H+](C[C@@H]1CCC[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC000261583478 389272156 /nfs/dbraw/zinc/27/21/56/389272156.db2.gz RUPCXYAMPMZXNK-OLZOCXBDSA-N 2 2 274.430 0.885 20 0 CCADLP CCC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC000261583478 389272157 /nfs/dbraw/zinc/27/21/57/389272157.db2.gz RUPCXYAMPMZXNK-OLZOCXBDSA-N 2 2 274.430 0.885 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC[N@@H+]1C ZINC000263189823 389298230 /nfs/dbraw/zinc/29/82/30/389298230.db2.gz HSEDDQRMSNJWLA-UTLUCORTSA-N 2 2 261.316 0.583 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC[N@H+]1C ZINC000263189823 389298232 /nfs/dbraw/zinc/29/82/32/389298232.db2.gz HSEDDQRMSNJWLA-UTLUCORTSA-N 2 2 261.316 0.583 20 0 CCADLP C[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000332985726 389399368 /nfs/dbraw/zinc/39/93/68/389399368.db2.gz WJYSLGQCMGCGSN-NEPJUHHUSA-N 2 2 277.372 0.591 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cc[nH]n1 ZINC000349065103 389402792 /nfs/dbraw/zinc/40/27/92/389402792.db2.gz XKVHGRPYWNVKKT-UHFFFAOYSA-N 2 2 265.405 0.868 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cc[nH]n1 ZINC000349065103 389402794 /nfs/dbraw/zinc/40/27/94/389402794.db2.gz XKVHGRPYWNVKKT-UHFFFAOYSA-N 2 2 265.405 0.868 20 0 CCADLP O=C(C[C@@H]1C[NH2+]CCO1)NCc1ccn2cc[nH+]c2c1 ZINC000269249686 389410402 /nfs/dbraw/zinc/41/04/02/389410402.db2.gz GMAKDZOYBOCSMH-GFCCVEGCSA-N 2 2 274.324 0.329 20 0 CCADLP C[C@H]([C@H](C)N[C@@H](C)[C@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000422745869 389465065 /nfs/dbraw/zinc/46/50/65/389465065.db2.gz VWGYCUDAIPNXBN-IGQOVBAYSA-N 2 2 255.406 0.826 20 0 CCADLP CCN(CC)S(=O)(=O)CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422860487 389494222 /nfs/dbraw/zinc/49/42/22/389494222.db2.gz MNUQCVJYRWXQIZ-VXGBXAGGSA-N 2 2 277.434 0.388 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC000422786610 389475979 /nfs/dbraw/zinc/47/59/79/389475979.db2.gz KVDIBLCRWSJHQK-RISCZKNCSA-N 2 2 277.368 0.638 20 0 CCADLP CC[NH+]1CCC(NC(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC000334374758 389476950 /nfs/dbraw/zinc/47/69/50/389476950.db2.gz DCGKUTPFEMDMGQ-UHFFFAOYSA-N 2 2 277.372 0.893 20 0 CCADLP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000422860560 389494317 /nfs/dbraw/zinc/49/43/17/389494317.db2.gz LOPYQPIKKLBDGC-SOUVJXGZSA-N 3 2 268.449 0.743 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000422818366 389481320 /nfs/dbraw/zinc/48/13/20/389481320.db2.gz KCTFHGVCXMRPHP-MGPQQGTHSA-N 2 2 283.416 0.696 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000422818366 389481326 /nfs/dbraw/zinc/48/13/26/389481326.db2.gz KCTFHGVCXMRPHP-MGPQQGTHSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@]1(N(C)C)CCSC1 ZINC000422822217 389482569 /nfs/dbraw/zinc/48/25/69/389482569.db2.gz JJSINHZMQPGFDW-RDBSUJKOSA-N 2 2 287.473 0.780 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000422839771 389488199 /nfs/dbraw/zinc/48/81/99/389488199.db2.gz RFVXZXHBKBHEFL-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000422839771 389488205 /nfs/dbraw/zinc/48/82/05/389488205.db2.gz RFVXZXHBKBHEFL-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CN1C1CC1 ZINC000422848664 389490529 /nfs/dbraw/zinc/49/05/29/389490529.db2.gz BCJNSMUTHHVCJL-SHPPOPEUSA-N 2 2 279.428 0.968 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@H]([NH3+])C(C)C)CC1 ZINC000164459743 389434535 /nfs/dbraw/zinc/43/45/35/389434535.db2.gz NUHPBAAVMOHQAU-GFCCVEGCSA-N 2 2 257.378 0.150 20 0 CCADLP O=C(CN1CC[NH2+]CC1=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000165450770 389438974 /nfs/dbraw/zinc/43/89/74/389438974.db2.gz RCAQCSAVTZNCEX-UHFFFAOYSA-N 2 2 299.334 0.243 20 0 CCADLP CN(C)c1ncc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cn1 ZINC000271179219 389439879 /nfs/dbraw/zinc/43/98/79/389439879.db2.gz LKVSMMCMPJWDPD-LBPRGKRZSA-N 2 2 263.389 0.926 20 0 CCADLP CN(C)c1ncc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cn1 ZINC000271179219 389439884 /nfs/dbraw/zinc/43/98/84/389439884.db2.gz LKVSMMCMPJWDPD-LBPRGKRZSA-N 2 2 263.389 0.926 20 0 CCADLP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCC[C@@H]3[NH3+])ccn2)CC1 ZINC000333785064 389444113 /nfs/dbraw/zinc/44/41/13/389444113.db2.gz FFJSKDUVKCMMJZ-LSDHHAIUSA-N 3 2 289.427 0.803 20 0 CCADLP CO[C@H]1CC[N@H+](CCC(=O)Nc2cc(C)on2)[C@@H](C[NH3+])C1 ZINC000167348358 389444416 /nfs/dbraw/zinc/44/44/16/389444416.db2.gz IEUKJRHGUNSALR-NEPJUHHUSA-N 2 2 296.371 0.750 20 0 CCADLP CO[C@H]1CC[N@@H+](CCC(=O)Nc2cc(C)on2)[C@@H](C[NH3+])C1 ZINC000167348358 389444417 /nfs/dbraw/zinc/44/44/17/389444417.db2.gz IEUKJRHGUNSALR-NEPJUHHUSA-N 2 2 296.371 0.750 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000422689994 389453071 /nfs/dbraw/zinc/45/30/71/389453071.db2.gz FZIWJTCRKFYUMM-QWHCGFSZSA-N 2 2 269.389 0.437 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000422689994 389453073 /nfs/dbraw/zinc/45/30/73/389453073.db2.gz FZIWJTCRKFYUMM-QWHCGFSZSA-N 2 2 269.389 0.437 20 0 CCADLP CC1(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)C[NH2+]C1 ZINC000422699650 389453901 /nfs/dbraw/zinc/45/39/01/389453901.db2.gz AWTQZYMHTYYPAS-UHFFFAOYSA-N 2 2 274.368 0.908 20 0 CCADLP C[NH2+][C@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000422718350 389458842 /nfs/dbraw/zinc/45/88/42/389458842.db2.gz WZURQLKCRBMWMA-UONOGXRCSA-N 2 2 281.400 0.308 20 0 CCADLP C[NH2+][C@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000422718350 389458845 /nfs/dbraw/zinc/45/88/45/389458845.db2.gz WZURQLKCRBMWMA-UONOGXRCSA-N 2 2 281.400 0.308 20 0 CCADLP Cn1ccc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)n1 ZINC000272041893 389459661 /nfs/dbraw/zinc/45/96/61/389459661.db2.gz XZNZCJLHHXDDKA-UHFFFAOYSA-N 2 2 260.345 0.476 20 0 CCADLP CC[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422922244 389506089 /nfs/dbraw/zinc/50/60/89/389506089.db2.gz SHCJLXXWHRWLBD-WXHSDQCUSA-N 2 2 251.374 0.870 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000334982304 389516795 /nfs/dbraw/zinc/51/67/95/389516795.db2.gz VLHUAHPDNPCMHD-YPMHNXCESA-N 2 2 260.341 0.980 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000334982304 389516797 /nfs/dbraw/zinc/51/67/97/389516797.db2.gz VLHUAHPDNPCMHD-YPMHNXCESA-N 2 2 260.341 0.980 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000174360782 389519034 /nfs/dbraw/zinc/51/90/34/389519034.db2.gz SSBVUKTWIQHPFE-CYBMUJFWSA-N 2 2 299.415 0.424 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000174564863 389523974 /nfs/dbraw/zinc/52/39/74/389523974.db2.gz WUDZNPOEJKQEAA-CQSZACIVSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000174564863 389523978 /nfs/dbraw/zinc/52/39/78/389523978.db2.gz WUDZNPOEJKQEAA-CQSZACIVSA-N 2 2 281.400 0.404 20 0 CCADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NC(=O)NC2CC2)C1 ZINC000174951641 389533317 /nfs/dbraw/zinc/53/33/17/389533317.db2.gz WITVTMYHMXJVHV-GFCCVEGCSA-N 2 2 296.415 0.638 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NC(=O)NC2CC2)C1 ZINC000174951641 389533318 /nfs/dbraw/zinc/53/33/18/389533318.db2.gz WITVTMYHMXJVHV-GFCCVEGCSA-N 2 2 296.415 0.638 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000174951641 389533320 /nfs/dbraw/zinc/53/33/20/389533320.db2.gz WITVTMYHMXJVHV-GFCCVEGCSA-N 2 2 296.415 0.638 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000174951641 389533322 /nfs/dbraw/zinc/53/33/22/389533322.db2.gz WITVTMYHMXJVHV-GFCCVEGCSA-N 2 2 296.415 0.638 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@H](C)C[N@H+](C)C(C)C ZINC000423122699 389538388 /nfs/dbraw/zinc/53/83/88/389538388.db2.gz KZQZTXNGAOZUDH-JHJVBQTASA-N 2 2 271.405 0.598 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@H](C)C[N@@H+](C)C(C)C ZINC000423122699 389538392 /nfs/dbraw/zinc/53/83/92/389538392.db2.gz KZQZTXNGAOZUDH-JHJVBQTASA-N 2 2 271.405 0.598 20 0 CCADLP COc1ccc(C[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)c(OC)n1 ZINC000423143509 389541908 /nfs/dbraw/zinc/54/19/08/389541908.db2.gz XBAVSRYUXRDYQU-AAEUAGOBSA-N 2 2 295.383 0.955 20 0 CCADLP OCCC[N@@H+]1CCC[C@H](N[C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000423149157 389544379 /nfs/dbraw/zinc/54/43/79/389544379.db2.gz XGWWWTJLSQGEER-ARFHVFGLSA-N 2 2 297.443 0.190 20 0 CCADLP OCCC[N@H+]1CCC[C@H](N[C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000423149157 389544383 /nfs/dbraw/zinc/54/43/83/389544383.db2.gz XGWWWTJLSQGEER-ARFHVFGLSA-N 2 2 297.443 0.190 20 0 CCADLP OCCCN1CCC[C@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000423149157 389544387 /nfs/dbraw/zinc/54/43/87/389544387.db2.gz XGWWWTJLSQGEER-ARFHVFGLSA-N 2 2 297.443 0.190 20 0 CCADLP CCO[C@H]1C[C@@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000423159791 389546580 /nfs/dbraw/zinc/54/65/80/389546580.db2.gz GLBXTGVAEPFBOT-RFQIPJPRSA-N 2 2 254.374 0.911 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCC1([NH3+])CCCCCC1 ZINC000423204542 389553116 /nfs/dbraw/zinc/55/31/16/389553116.db2.gz UPXXKUGTFSNOFW-CHWSQXEVSA-N 2 2 283.416 0.921 20 0 CCADLP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CC1([NH3+])CCCCCC1 ZINC000423204542 389553119 /nfs/dbraw/zinc/55/31/19/389553119.db2.gz UPXXKUGTFSNOFW-CHWSQXEVSA-N 2 2 283.416 0.921 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCC([NH3+])(CC)CC ZINC000423292607 389559388 /nfs/dbraw/zinc/55/93/88/389559388.db2.gz NKUWSECLTYMFST-GHMZBOCLSA-N 2 2 257.378 0.387 20 0 CCADLP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CC([NH3+])(CC)CC ZINC000423292607 389559390 /nfs/dbraw/zinc/55/93/90/389559390.db2.gz NKUWSECLTYMFST-GHMZBOCLSA-N 2 2 257.378 0.387 20 0 CCADLP CC(C)C[NH+]1CCN(C(=O)[C@@H]([NH3+])c2cscn2)CC1 ZINC000423300283 389560595 /nfs/dbraw/zinc/56/05/95/389560595.db2.gz DFVGNUDNODHUDU-LBPRGKRZSA-N 2 2 282.413 0.943 20 0 CCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000334798888 389505249 /nfs/dbraw/zinc/50/52/49/389505249.db2.gz AGSSCYDQGNPZNG-VXGBXAGGSA-N 2 2 262.357 0.608 20 0 CCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000334798888 389505252 /nfs/dbraw/zinc/50/52/52/389505252.db2.gz AGSSCYDQGNPZNG-VXGBXAGGSA-N 2 2 262.357 0.608 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])C[C@H](C)O1 ZINC000424277874 389622411 /nfs/dbraw/zinc/62/24/11/389622411.db2.gz BDMPWAFPMOJDMJ-YVECIDJPSA-N 2 2 269.389 0.482 20 0 CCADLP CC(=O)[C@H](NC(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+])C(C)C ZINC000424302612 389622589 /nfs/dbraw/zinc/62/25/89/389622589.db2.gz ZZTFHWVJLDQWNF-YRGRVCCFSA-N 2 2 269.389 0.576 20 0 CCADLP CN(C)c1ncc(C[NH2+]C[C@H]2C[NH2+]CCN2C)s1 ZINC000414964134 389647608 /nfs/dbraw/zinc/64/76/08/389647608.db2.gz LUGBRNCXKAPVKZ-SNVBAGLBSA-N 2 2 269.418 0.202 20 0 CCADLP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000336212463 389627476 /nfs/dbraw/zinc/62/74/76/389627476.db2.gz YSIRKRIRVDSFFX-TZMCWYRMSA-N 2 2 265.332 0.846 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H](CO)c1ccsc1)C1CC1 ZINC000351606534 389630329 /nfs/dbraw/zinc/63/03/29/389630329.db2.gz UCELCBFFUBXVKY-STQMWFEESA-N 2 2 270.398 0.826 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](CO)c1ccsc1)C1CC1 ZINC000351606534 389630334 /nfs/dbraw/zinc/63/03/34/389630334.db2.gz UCELCBFFUBXVKY-STQMWFEESA-N 2 2 270.398 0.826 20 0 CCADLP CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@@H]1CCC[N@@H+](C)C1 ZINC000336320627 389632021 /nfs/dbraw/zinc/63/20/21/389632021.db2.gz DYMGLCKIQHUPHN-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP CCOC(=O)C[C@@H](C)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351607620 389632718 /nfs/dbraw/zinc/63/27/18/389632718.db2.gz WTHASYIKIQECKC-YPMHNXCESA-N 2 2 272.389 0.715 20 0 CCADLP CCOC(=O)C[C@@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351607620 389632719 /nfs/dbraw/zinc/63/27/19/389632719.db2.gz WTHASYIKIQECKC-YPMHNXCESA-N 2 2 272.389 0.715 20 0 CCADLP CCOC(=O)C[C@@H](C)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351607620 389632721 /nfs/dbraw/zinc/63/27/21/389632721.db2.gz WTHASYIKIQECKC-YPMHNXCESA-N 2 2 272.389 0.715 20 0 CCADLP CCOC(=O)C[C@@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351607620 389632722 /nfs/dbraw/zinc/63/27/22/389632722.db2.gz WTHASYIKIQECKC-YPMHNXCESA-N 2 2 272.389 0.715 20 0 CCADLP CN(C)C(=O)COc1ccccc1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000414866536 389641771 /nfs/dbraw/zinc/64/17/71/389641771.db2.gz NBNSKARUEUHRPM-CQSZACIVSA-N 2 2 291.395 0.995 20 0 CCADLP Cc1ccc(O)c(C[NH2+]C[C@@H]2C[NH2+]CCN2C)n1 ZINC000414966218 389648674 /nfs/dbraw/zinc/64/86/74/389648674.db2.gz OEYAJXYMCVMRPW-NSHDSACASA-N 2 2 250.346 0.089 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCN2C)[C@@H](C)C1 ZINC000414970959 389648770 /nfs/dbraw/zinc/64/87/70/389648770.db2.gz HGTOHMMFVVBZLF-IHRRRGAJSA-N 3 2 254.422 0.210 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCN2C)[C@@H](C)C1 ZINC000414970959 389648775 /nfs/dbraw/zinc/64/87/75/389648775.db2.gz HGTOHMMFVVBZLF-IHRRRGAJSA-N 3 2 254.422 0.210 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[NH2+]CCN2C)[C@@H](C)C1 ZINC000414970966 389648833 /nfs/dbraw/zinc/64/88/33/389648833.db2.gz HGTOHMMFVVBZLF-MJBXVCDLSA-N 3 2 254.422 0.210 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2C[NH2+]CCN2C)[C@@H](C)C1 ZINC000414970966 389648835 /nfs/dbraw/zinc/64/88/35/389648835.db2.gz HGTOHMMFVVBZLF-MJBXVCDLSA-N 3 2 254.422 0.210 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423386213 389577166 /nfs/dbraw/zinc/57/71/66/389577166.db2.gz JCRNFSWABGXJOZ-WOPDTQHZSA-N 3 2 294.365 0.410 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000423399378 389578899 /nfs/dbraw/zinc/57/88/99/389578899.db2.gz VVUACHHPWUZJRH-LBPRGKRZSA-N 2 2 269.389 0.341 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000423399378 389578902 /nfs/dbraw/zinc/57/89/02/389578902.db2.gz VVUACHHPWUZJRH-LBPRGKRZSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]1C[N@H+](Cc2c[nH+]c(N(C)C)n2C)CC[C@H]1O ZINC000425330961 389645478 /nfs/dbraw/zinc/64/54/78/389645478.db2.gz BHZFPXMNHUEPTJ-ZYHUDNBSSA-N 2 2 252.362 0.689 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2c[nH+]c(N(C)C)n2C)CC[C@H]1O ZINC000425330961 389645480 /nfs/dbraw/zinc/64/54/80/389645480.db2.gz BHZFPXMNHUEPTJ-ZYHUDNBSSA-N 2 2 252.362 0.689 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000423479286 389593292 /nfs/dbraw/zinc/59/32/92/389593292.db2.gz NKVSKAZUKAFJDN-QWHCGFSZSA-N 2 2 269.389 0.341 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000423479286 389593298 /nfs/dbraw/zinc/59/32/98/389593298.db2.gz NKVSKAZUKAFJDN-QWHCGFSZSA-N 2 2 269.389 0.341 20 0 CCADLP CO[C@H](C)c1noc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1 ZINC000351498850 389596203 /nfs/dbraw/zinc/59/62/03/389596203.db2.gz WEMPHYKVXWBCCB-RCWTZXSCSA-N 2 2 266.345 0.946 20 0 CCADLP CO[C@H](C)c1noc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1 ZINC000351498850 389596207 /nfs/dbraw/zinc/59/62/07/389596207.db2.gz WEMPHYKVXWBCCB-RCWTZXSCSA-N 2 2 266.345 0.946 20 0 CCADLP C(C[NH2+]C1CC1)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423524466 389600348 /nfs/dbraw/zinc/60/03/48/389600348.db2.gz JLQWRIKPSHAMOB-KFWWJZLASA-N 3 2 267.417 0.875 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000423580466 389602561 /nfs/dbraw/zinc/60/25/61/389602561.db2.gz XTNVZCVEZRNESU-QWHCGFSZSA-N 2 2 269.389 0.213 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000423580466 389602564 /nfs/dbraw/zinc/60/25/64/389602564.db2.gz XTNVZCVEZRNESU-QWHCGFSZSA-N 2 2 269.389 0.213 20 0 CCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000423729781 389607872 /nfs/dbraw/zinc/60/78/72/389607872.db2.gz OHKQYEUZWPDNQC-CYBMUJFWSA-N 2 2 298.431 0.030 20 0 CCADLP C[N@H+](CC(=O)N1CCOCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375750979 389708989 /nfs/dbraw/zinc/70/89/89/389708989.db2.gz POMQFNJYRGDLBI-PBWFPOADSA-N 2 2 281.400 0.402 20 0 CCADLP C[N@@H+](CC(=O)N1CCOCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375750979 389708990 /nfs/dbraw/zinc/70/89/90/389708990.db2.gz POMQFNJYRGDLBI-PBWFPOADSA-N 2 2 281.400 0.402 20 0 CCADLP C[NH+](CC(=O)N1CCOCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375750979 389708992 /nfs/dbraw/zinc/70/89/92/389708992.db2.gz POMQFNJYRGDLBI-PBWFPOADSA-N 2 2 281.400 0.402 20 0 CCADLP C[NH+](CC(=O)N1CCOCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375750979 389708993 /nfs/dbraw/zinc/70/89/93/389708993.db2.gz POMQFNJYRGDLBI-PBWFPOADSA-N 2 2 281.400 0.402 20 0 CCADLP CC(=O)N1CCC[N@H+](CCCn2cc[nH+]c2)CC1 ZINC000182661679 389713394 /nfs/dbraw/zinc/71/33/94/389713394.db2.gz FEUWROBPWMIPNJ-UHFFFAOYSA-N 2 2 250.346 0.827 20 0 CCADLP CC(=O)N1CCC[N@@H+](CCCn2cc[nH+]c2)CC1 ZINC000182661679 389713398 /nfs/dbraw/zinc/71/33/98/389713398.db2.gz FEUWROBPWMIPNJ-UHFFFAOYSA-N 2 2 250.346 0.827 20 0 CCADLP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1csnn1 ZINC000351915969 389713707 /nfs/dbraw/zinc/71/37/07/389713707.db2.gz UKYQMPWFLUPNLB-LLVKDONJSA-N 2 2 269.418 0.654 20 0 CCADLP CCOC(=O)Cn1nc(C)c(C[NH2+]C[C@@H](C)[NH2+]C)c1C ZINC000414986918 389651731 /nfs/dbraw/zinc/65/17/31/389651731.db2.gz ODJWZRRJEFIVIN-SNVBAGLBSA-N 2 2 282.388 0.761 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000282086962 389655563 /nfs/dbraw/zinc/65/55/63/389655563.db2.gz HYPXKKXKBRJFGB-LBPRGKRZSA-N 2 2 271.386 0.701 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000282086962 389655566 /nfs/dbraw/zinc/65/55/66/389655566.db2.gz HYPXKKXKBRJFGB-LBPRGKRZSA-N 2 2 271.386 0.701 20 0 CCADLP COc1cc(OC)c(C[NH2+]C[C@H]2C[NH2+]CCO2)c(OC)c1 ZINC000415096670 389658331 /nfs/dbraw/zinc/65/83/31/389658331.db2.gz QGAQBNWAUWGCAC-GFCCVEGCSA-N 2 2 296.367 0.790 20 0 CCADLP COCCOc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)cc1 ZINC000415099809 389659510 /nfs/dbraw/zinc/65/95/10/389659510.db2.gz ZOCVYSRGGIGWRX-HNNXBMFYSA-N 2 2 280.368 0.790 20 0 CCADLP COC(=O)C(C)(C)CC[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000415109967 389660812 /nfs/dbraw/zinc/66/08/12/389660812.db2.gz OKSDOKHCDBHPIR-LLVKDONJSA-N 2 2 258.362 0.625 20 0 CCADLP COC(=O)C(C)(C)CC[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000415109967 389660813 /nfs/dbraw/zinc/66/08/13/389660813.db2.gz OKSDOKHCDBHPIR-LLVKDONJSA-N 2 2 258.362 0.625 20 0 CCADLP C[C@H]1CN(C(=O)[C@]2(C)CCCC[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000181012932 389679502 /nfs/dbraw/zinc/67/95/02/389679502.db2.gz LCWLAKVHYABLRV-DZKIICNBSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000375634383 389695501 /nfs/dbraw/zinc/69/55/01/389695501.db2.gz IGKGAONRKAMMRJ-SQWLQELKSA-N 2 2 294.443 0.128 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000351857228 389699852 /nfs/dbraw/zinc/69/98/52/389699852.db2.gz XAQDAZTWYKIZRK-SFYZADRCSA-N 2 2 296.293 0.044 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000351857228 389699859 /nfs/dbraw/zinc/69/98/59/389699859.db2.gz XAQDAZTWYKIZRK-SFYZADRCSA-N 2 2 296.293 0.044 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000351856772 389699886 /nfs/dbraw/zinc/69/98/86/389699886.db2.gz WFALLTMZMQWLAJ-NXEZZACHSA-N 2 2 250.346 0.914 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000351856772 389699890 /nfs/dbraw/zinc/69/98/90/389699890.db2.gz WFALLTMZMQWLAJ-NXEZZACHSA-N 2 2 250.346 0.914 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCOCC12CCCC2 ZINC000388704911 389770032 /nfs/dbraw/zinc/77/00/32/389770032.db2.gz OCTDUTVXZDGJOU-CQSZACIVSA-N 2 2 286.416 0.571 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCOCC12CCCC2 ZINC000388704911 389770035 /nfs/dbraw/zinc/77/00/35/389770035.db2.gz OCTDUTVXZDGJOU-CQSZACIVSA-N 2 2 286.416 0.571 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCOCC12CCCC2 ZINC000388704911 389770037 /nfs/dbraw/zinc/77/00/37/389770037.db2.gz OCTDUTVXZDGJOU-CQSZACIVSA-N 2 2 286.416 0.571 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCOCC12CCCC2 ZINC000388704911 389770038 /nfs/dbraw/zinc/77/00/38/389770038.db2.gz OCTDUTVXZDGJOU-CQSZACIVSA-N 2 2 286.416 0.571 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCOCC12CCCC2 ZINC000388704908 389770348 /nfs/dbraw/zinc/77/03/48/389770348.db2.gz OCTDUTVXZDGJOU-AWEZNQCLSA-N 2 2 286.416 0.571 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCOCC12CCCC2 ZINC000388704908 389770350 /nfs/dbraw/zinc/77/03/50/389770350.db2.gz OCTDUTVXZDGJOU-AWEZNQCLSA-N 2 2 286.416 0.571 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCOCC12CCCC2 ZINC000388704908 389770353 /nfs/dbraw/zinc/77/03/53/389770353.db2.gz OCTDUTVXZDGJOU-AWEZNQCLSA-N 2 2 286.416 0.571 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCOCC12CCCC2 ZINC000388704908 389770354 /nfs/dbraw/zinc/77/03/54/389770354.db2.gz OCTDUTVXZDGJOU-AWEZNQCLSA-N 2 2 286.416 0.571 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)C[C@H]1CCCOC1 ZINC000389094961 389771712 /nfs/dbraw/zinc/77/17/12/389771712.db2.gz NNDOCKPYBKREEF-KGLIPLIRSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@H]1CCCOC1 ZINC000389094961 389771716 /nfs/dbraw/zinc/77/17/16/389771716.db2.gz NNDOCKPYBKREEF-KGLIPLIRSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)C[C@H]1CCCOC1 ZINC000389094961 389771718 /nfs/dbraw/zinc/77/17/18/389771718.db2.gz NNDOCKPYBKREEF-KGLIPLIRSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@H]1CCCOC1 ZINC000389094961 389771722 /nfs/dbraw/zinc/77/17/22/389771722.db2.gz NNDOCKPYBKREEF-KGLIPLIRSA-N 2 2 274.405 0.284 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000416813235 389772845 /nfs/dbraw/zinc/77/28/45/389772845.db2.gz FNXNCERXZRLNPE-GHMZBOCLSA-N 2 2 272.393 0.132 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000416816933 389773460 /nfs/dbraw/zinc/77/34/60/389773460.db2.gz JPRZBNLHPKZKQP-GFCCVEGCSA-N 2 2 286.420 0.394 20 0 CCADLP CC(C)(CNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000416832044 389774933 /nfs/dbraw/zinc/77/49/33/389774933.db2.gz UEZAGQYXENKYSN-QWHCGFSZSA-N 2 2 298.431 0.524 20 0 CCADLP CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+][C@H]2CC[NH2+]C2)C1 ZINC000397441390 389778154 /nfs/dbraw/zinc/77/81/54/389778154.db2.gz ZYNGWDQPWNJCFR-NWDGAFQWSA-N 2 2 285.388 0.574 20 0 CCADLP CCn1nccc1C[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000352342442 389793241 /nfs/dbraw/zinc/79/32/41/389793241.db2.gz SIYSSOOPQRKVIK-UHFFFAOYSA-N 2 2 293.415 0.499 20 0 CCADLP CCn1nccc1C[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000352342442 389793244 /nfs/dbraw/zinc/79/32/44/389793244.db2.gz SIYSSOOPQRKVIK-UHFFFAOYSA-N 2 2 293.415 0.499 20 0 CCADLP O=C(NCCCNc1cccc[nH+]1)N1CC[NH2+]CC1 ZINC000417073216 389793888 /nfs/dbraw/zinc/79/38/88/389793888.db2.gz IEPLTDUFXCYNRU-UHFFFAOYSA-N 2 2 263.345 0.498 20 0 CCADLP C[NH+](C)C1(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000416305986 389730440 /nfs/dbraw/zinc/73/04/40/389730440.db2.gz DPEQHZJIAOASTO-AWEZNQCLSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+](C)C1(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000416305986 389730441 /nfs/dbraw/zinc/73/04/41/389730441.db2.gz DPEQHZJIAOASTO-AWEZNQCLSA-N 2 2 295.427 0.840 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000416431979 389741889 /nfs/dbraw/zinc/74/18/89/389741889.db2.gz CYHCVZMWBJPCTD-GHMZBOCLSA-N 2 2 253.350 0.569 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCC[NH+]1CCOCC1 ZINC000416432653 389742607 /nfs/dbraw/zinc/74/26/07/389742607.db2.gz LMAGRFAHQCIHHW-OLZOCXBDSA-N 2 2 284.404 0.230 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000416441454 389744516 /nfs/dbraw/zinc/74/45/16/389744516.db2.gz VKFUGBQBAPCRTQ-IJLUTSLNSA-N 2 2 265.361 0.569 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)C[C@H](C)O1 ZINC000430588108 389809854 /nfs/dbraw/zinc/80/98/54/389809854.db2.gz CBYXRGOKIWVGDP-WDMOLILDSA-N 2 2 269.389 0.339 20 0 CCADLP CCc1nc(N2CC[C@@H]3OCC[NH2+][C@H]3C2)cc(C)[nH+]1 ZINC000404262417 389811209 /nfs/dbraw/zinc/81/12/09/389811209.db2.gz OXLHCEYMGCAYEM-RYUDHWBXSA-N 2 2 262.357 0.915 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@H+](C)C1CC[NH2+]CC1 ZINC000430609977 389812929 /nfs/dbraw/zinc/81/29/29/389812929.db2.gz JDSZZOJDLRPURP-UHFFFAOYSA-N 2 2 262.419 0.884 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@@H+](C)C1CC[NH2+]CC1 ZINC000430609977 389812932 /nfs/dbraw/zinc/81/29/32/389812932.db2.gz JDSZZOJDLRPURP-UHFFFAOYSA-N 2 2 262.419 0.884 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)NC[C@@H]([NH3+])C2CC2)CCO1 ZINC000417427555 389815094 /nfs/dbraw/zinc/81/50/94/389815094.db2.gz QIIUDNZOMHZQSP-GFCCVEGCSA-N 2 2 284.404 0.134 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)NC[C@@H]([NH3+])C2CC2)CCO1 ZINC000417427555 389815097 /nfs/dbraw/zinc/81/50/97/389815097.db2.gz QIIUDNZOMHZQSP-GFCCVEGCSA-N 2 2 284.404 0.134 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430652987 389816595 /nfs/dbraw/zinc/81/65/95/389816595.db2.gz NUFHTIHGENTOBY-CYBMUJFWSA-N 2 2 271.405 0.590 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430652987 389816597 /nfs/dbraw/zinc/81/65/97/389816597.db2.gz NUFHTIHGENTOBY-CYBMUJFWSA-N 2 2 271.405 0.590 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)NCC[N@@H+]2CCOCC2(C)C)CC[NH2+]1 ZINC000417499270 389821510 /nfs/dbraw/zinc/82/15/10/389821510.db2.gz FREOCLJVPDCOPH-STQMWFEESA-N 2 2 298.431 0.537 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)NCC[N@H+]2CCOCC2(C)C)CC[NH2+]1 ZINC000417499270 389821512 /nfs/dbraw/zinc/82/15/12/389821512.db2.gz FREOCLJVPDCOPH-STQMWFEESA-N 2 2 298.431 0.537 20 0 CCADLP CC(C)(C)CCNC(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352512360 389822494 /nfs/dbraw/zinc/82/24/94/389822494.db2.gz XAHWRDLNPRACDI-AWEZNQCLSA-N 2 2 296.459 0.518 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2CC[NH3+])n(C)n1 ZINC000352518157 389823963 /nfs/dbraw/zinc/82/39/63/389823963.db2.gz HIULEJWSTFXOIP-LBPRGKRZSA-N 2 2 279.388 0.870 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2CCCC[C@H]2CC[NH3+])n(C)n1 ZINC000352518157 389823967 /nfs/dbraw/zinc/82/39/67/389823967.db2.gz HIULEJWSTFXOIP-LBPRGKRZSA-N 2 2 279.388 0.870 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N[C@@H]1CC[C@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000417517395 389825271 /nfs/dbraw/zinc/82/52/71/389825271.db2.gz IUVCIAHGHSVQJX-RFQIPJPRSA-N 2 2 298.431 0.522 20 0 CCADLP C[C@H](CCCC[NH3+])NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000417518155 389825337 /nfs/dbraw/zinc/82/53/37/389825337.db2.gz RXJZJSNVLGERQD-CHWSQXEVSA-N 2 2 286.420 0.524 20 0 CCADLP C[C@H](CCCC[NH3+])NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000417518155 389825341 /nfs/dbraw/zinc/82/53/41/389825341.db2.gz RXJZJSNVLGERQD-CHWSQXEVSA-N 2 2 286.420 0.524 20 0 CCADLP CC[NH2+]CCNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000417528572 389826804 /nfs/dbraw/zinc/82/68/04/389826804.db2.gz WXCVWGWIMKDUKS-NEPJUHHUSA-N 2 2 272.393 0.004 20 0 CCADLP CC(C)OC(=O)CC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000441312300 389830363 /nfs/dbraw/zinc/83/03/63/389830363.db2.gz AODVHRLRNJESOX-UHFFFAOYSA-N 2 2 272.389 0.717 20 0 CCADLP CC(C)OC(=O)CC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000441312300 389830367 /nfs/dbraw/zinc/83/03/67/389830367.db2.gz AODVHRLRNJESOX-UHFFFAOYSA-N 2 2 272.389 0.717 20 0 CCADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)NC(=O)NCc2cccs2)C1 ZINC000430935657 389836927 /nfs/dbraw/zinc/83/69/27/389836927.db2.gz UZHYEXFRMJOELE-SNVBAGLBSA-N 2 2 296.396 0.355 20 0 CCADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)NC(=O)NCc2cccs2)C1 ZINC000430935657 389836930 /nfs/dbraw/zinc/83/69/30/389836930.db2.gz UZHYEXFRMJOELE-SNVBAGLBSA-N 2 2 296.396 0.355 20 0 CCADLP c1ccc(-n2nnnc2CC[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000430951781 389839365 /nfs/dbraw/zinc/83/93/65/389839365.db2.gz NELIVYNDJHPGRZ-UHFFFAOYSA-N 2 2 272.356 0.500 20 0 CCADLP c1ccc(-n2nnnc2CC[N@H+]2CCC[NH2+]CC2)cc1 ZINC000430951781 389839368 /nfs/dbraw/zinc/83/93/68/389839368.db2.gz NELIVYNDJHPGRZ-UHFFFAOYSA-N 2 2 272.356 0.500 20 0 CCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430965822 389841766 /nfs/dbraw/zinc/84/17/66/389841766.db2.gz MPAYVSMXLYMEHP-MXWKQRLJSA-N 2 2 284.404 0.668 20 0 CCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430965822 389841768 /nfs/dbraw/zinc/84/17/68/389841768.db2.gz MPAYVSMXLYMEHP-MXWKQRLJSA-N 2 2 284.404 0.668 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1CSC[NH2+]1 ZINC000431018803 389845232 /nfs/dbraw/zinc/84/52/32/389845232.db2.gz JIVXUXGSYVRUDF-INTQDDNPSA-N 2 2 255.387 0.248 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1CSC[NH2+]1 ZINC000431018803 389845235 /nfs/dbraw/zinc/84/52/35/389845235.db2.gz JIVXUXGSYVRUDF-INTQDDNPSA-N 2 2 255.387 0.248 20 0 CCADLP COc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000431032833 389846466 /nfs/dbraw/zinc/84/64/66/389846466.db2.gz MELJGYQNWZBDCQ-FZMZJTMJSA-N 2 2 277.368 0.905 20 0 CCADLP COc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000431032833 389846467 /nfs/dbraw/zinc/84/64/67/389846467.db2.gz MELJGYQNWZBDCQ-FZMZJTMJSA-N 2 2 277.368 0.905 20 0 CCADLP C[C@@H]([NH3+])CN1CC[NH+](CC(=O)NC2CCC(C)CC2)CC1 ZINC000442663762 389854304 /nfs/dbraw/zinc/85/43/04/389854304.db2.gz UFLKTEBSSWEHAV-SHARSMKWSA-N 2 2 296.459 0.646 20 0 CCADLP C[C@H]([NH3+])C[N@H+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000442664156 389854469 /nfs/dbraw/zinc/85/44/69/389854469.db2.gz VSTJOHKIGLIEHA-UWVGGRQHSA-N 2 2 271.386 0.674 20 0 CCADLP C[C@H]([NH3+])C[N@@H+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000442664156 389854470 /nfs/dbraw/zinc/85/44/70/389854470.db2.gz VSTJOHKIGLIEHA-UWVGGRQHSA-N 2 2 271.386 0.674 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2c(F)cccc2F)C[C@H]1[NH3+] ZINC000417833155 389854583 /nfs/dbraw/zinc/85/45/83/389854583.db2.gz LQXNSNYUQVOXQH-XXFPWJFMSA-N 2 2 269.295 0.770 20 0 CCADLP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000417850659 389857040 /nfs/dbraw/zinc/85/70/40/389857040.db2.gz MMNHOPRWXLUNFT-HFJPGXAFSA-N 2 2 257.284 0.817 20 0 CCADLP CNC(=O)Cc1nc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cs1 ZINC000442785174 389863304 /nfs/dbraw/zinc/86/33/04/389863304.db2.gz XGHKMNJJINQRNL-NXEZZACHSA-N 2 2 282.413 0.601 20 0 CCADLP CNC(=O)Cc1nc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cs1 ZINC000442785174 389863306 /nfs/dbraw/zinc/86/33/06/389863306.db2.gz XGHKMNJJINQRNL-NXEZZACHSA-N 2 2 282.413 0.601 20 0 CCADLP COCCN1CC[C@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000432364132 389879120 /nfs/dbraw/zinc/87/91/20/389879120.db2.gz ZTAQRSSQFUCELH-CVEARBPZSA-N 2 2 299.459 0.798 20 0 CCADLP COCCN1CC[C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000432364132 389879121 /nfs/dbraw/zinc/87/91/21/389879121.db2.gz ZTAQRSSQFUCELH-CVEARBPZSA-N 2 2 299.459 0.798 20 0 CCADLP CC[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)[C@H](O)C(F)F ZINC000419707425 389907212 /nfs/dbraw/zinc/90/72/12/389907212.db2.gz FPFRVMHINFZLEA-ZJUUUORDSA-N 2 2 276.331 0.980 20 0 CCADLP CCNC(=O)[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C(C)C ZINC000419742896 389910481 /nfs/dbraw/zinc/91/04/81/389910481.db2.gz FIWDXUXJECQSHB-LBPRGKRZSA-N 2 2 281.404 0.736 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000447655922 389961530 /nfs/dbraw/zinc/96/15/30/389961530.db2.gz HBNDVCPWXJLYCP-CYBMUJFWSA-N 2 2 271.405 0.507 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000447655922 389961531 /nfs/dbraw/zinc/96/15/31/389961531.db2.gz HBNDVCPWXJLYCP-CYBMUJFWSA-N 2 2 271.405 0.507 20 0 CCADLP Nc1[nH+]cnc(NCC[C@H]2CCC[NH2+]C2)c1Cl ZINC000420193311 389964308 /nfs/dbraw/zinc/96/43/08/389964308.db2.gz IVUXTVXVGOLVQF-MRVPVSSYSA-N 2 2 255.753 0.936 20 0 CCADLP Nc1nc[nH+]c(NCC[C@H]2CCC[NH2+]C2)c1Cl ZINC000420193311 389964311 /nfs/dbraw/zinc/96/43/11/389964311.db2.gz IVUXTVXVGOLVQF-MRVPVSSYSA-N 2 2 255.753 0.936 20 0 CCADLP [NH3+]CCCCNc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000420231635 389969246 /nfs/dbraw/zinc/96/92/46/389969246.db2.gz KIMVNJMTLNQEOF-GFCCVEGCSA-N 2 2 279.388 0.979 20 0 CCADLP [NH3+]CCCCNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000420231635 389969249 /nfs/dbraw/zinc/96/92/49/389969249.db2.gz KIMVNJMTLNQEOF-GFCCVEGCSA-N 2 2 279.388 0.979 20 0 CCADLP Cc1nc(N(C)C)nc(N[C@@H]2CCC[C@@H]([NH3+])C2)[nH+]1 ZINC000420241710 389971574 /nfs/dbraw/zinc/97/15/74/389971574.db2.gz TXPXWDIWJIYQPB-NXEZZACHSA-N 2 2 250.350 0.350 20 0 CCADLP Cc1nc(N[C@@H]2CCC[C@@H]([NH3+])C2)nc(N(C)C)[nH+]1 ZINC000420241710 389971577 /nfs/dbraw/zinc/97/15/77/389971577.db2.gz TXPXWDIWJIYQPB-NXEZZACHSA-N 2 2 250.350 0.350 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@](C)(C[NH3+])C(C)C ZINC000433479913 389915572 /nfs/dbraw/zinc/91/55/72/389915572.db2.gz JPPNCXCEDJIULR-JOYOIKCWSA-N 2 2 258.366 0.184 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC1([NH+](C)C)CCC1 ZINC000446136345 389931393 /nfs/dbraw/zinc/93/13/93/389931393.db2.gz JPWAQSWTYQFRMV-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000447437403 389954980 /nfs/dbraw/zinc/95/49/80/389954980.db2.gz CZYVADHTOCUHKK-CZUORRHYSA-N 2 2 291.395 0.697 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000447437403 389954983 /nfs/dbraw/zinc/95/49/83/389954983.db2.gz CZYVADHTOCUHKK-CZUORRHYSA-N 2 2 291.395 0.697 20 0 CCADLP Cc1cc(NCCN2CC[N@@H+](C)C(C)(C)C2)nc[nH+]1 ZINC000440649863 390041300 /nfs/dbraw/zinc/04/13/00/390041300.db2.gz HJXCSAQTKYHOJI-UHFFFAOYSA-N 2 2 263.389 0.645 20 0 CCADLP Cc1cc(NCCN2CC[N@H+](C)C(C)(C)C2)nc[nH+]1 ZINC000440649863 390041302 /nfs/dbraw/zinc/04/13/02/390041302.db2.gz HJXCSAQTKYHOJI-UHFFFAOYSA-N 2 2 263.389 0.645 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCOCC2)C1 ZINC000457399929 390042424 /nfs/dbraw/zinc/04/24/24/390042424.db2.gz JKXVWAXCLYOONU-AWEZNQCLSA-N 2 2 298.431 0.443 20 0 CCADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCOCC2)C1 ZINC000457399929 390042425 /nfs/dbraw/zinc/04/24/25/390042425.db2.gz JKXVWAXCLYOONU-AWEZNQCLSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@H](C)[C@@H](NC(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1)C(=O)OC ZINC000420289205 389978371 /nfs/dbraw/zinc/97/83/71/389978371.db2.gz JWRFYHFSNYUBQL-ZBINZKHDSA-N 2 2 299.415 0.407 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000436820386 389985193 /nfs/dbraw/zinc/98/51/93/389985193.db2.gz LGEISBAEXWAKPL-LBPRGKRZSA-N 2 2 278.356 0.342 20 0 CCADLP C[N@H+](CC(=O)NCCOc1ccc(F)cc1)C1CC([NH3+])C1 ZINC000420342393 389986378 /nfs/dbraw/zinc/98/63/78/389986378.db2.gz VXKWTWOXOCBLLR-UHFFFAOYSA-N 2 2 295.358 0.742 20 0 CCADLP C[N@@H+](CC(=O)NCCOc1ccc(F)cc1)C1CC([NH3+])C1 ZINC000420342393 389986380 /nfs/dbraw/zinc/98/63/80/389986380.db2.gz VXKWTWOXOCBLLR-UHFFFAOYSA-N 2 2 295.358 0.742 20 0 CCADLP CC(C)C[C@@H](C)N(C)C(=O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000420348796 389987853 /nfs/dbraw/zinc/98/78/53/389987853.db2.gz AZRVUUVUPAWWRS-VXGBXAGGSA-N 2 2 259.394 0.131 20 0 CCADLP CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420348796 389987856 /nfs/dbraw/zinc/98/78/56/389987856.db2.gz AZRVUUVUPAWWRS-VXGBXAGGSA-N 2 2 259.394 0.131 20 0 CCADLP Cc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@H](O)C[NH3+])c(C)c1 ZINC000420350721 389988153 /nfs/dbraw/zinc/98/81/53/389988153.db2.gz HYBATUFZAKSONQ-QWHCGFSZSA-N 2 2 279.384 0.882 20 0 CCADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@H](O)C[NH3+])c(C)c1 ZINC000420350721 389988154 /nfs/dbraw/zinc/98/81/54/389988154.db2.gz HYBATUFZAKSONQ-QWHCGFSZSA-N 2 2 279.384 0.882 20 0 CCADLP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420350802 389988422 /nfs/dbraw/zinc/98/84/22/389988422.db2.gz IDKMCKQJQCQVJC-JSGCOSHPSA-N 2 2 279.384 0.285 20 0 CCADLP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420350802 389988425 /nfs/dbraw/zinc/98/84/25/389988425.db2.gz IDKMCKQJQCQVJC-JSGCOSHPSA-N 2 2 279.384 0.285 20 0 CCADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)C[NH3+])c(C)c1 ZINC000420350720 389988603 /nfs/dbraw/zinc/98/86/03/389988603.db2.gz HYBATUFZAKSONQ-OLZOCXBDSA-N 2 2 279.384 0.882 20 0 CCADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])c(C)c1 ZINC000420350720 389988605 /nfs/dbraw/zinc/98/86/05/389988605.db2.gz HYBATUFZAKSONQ-OLZOCXBDSA-N 2 2 279.384 0.882 20 0 CCADLP C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420350805 389989032 /nfs/dbraw/zinc/98/90/32/389989032.db2.gz IDKMCKQJQCQVJC-TZMCWYRMSA-N 2 2 279.384 0.285 20 0 CCADLP C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420350805 389989035 /nfs/dbraw/zinc/98/90/35/389989035.db2.gz IDKMCKQJQCQVJC-TZMCWYRMSA-N 2 2 279.384 0.285 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCCC[NH+]1CCOCC1 ZINC000420355654 389990092 /nfs/dbraw/zinc/99/00/92/389990092.db2.gz CDNWYBRXATWPRJ-MCIONIFRSA-N 2 2 255.406 0.685 20 0 CCADLP CCOC(=O)c1ccc(N2CCC[N@H+](CC[NH3+])CC2)nc1 ZINC000420354761 389990274 /nfs/dbraw/zinc/99/02/74/389990274.db2.gz DHNQQHCSWCBZGU-UHFFFAOYSA-N 2 2 292.383 0.729 20 0 CCADLP CCOC(=O)c1ccc(N2CCC[N@@H+](CC[NH3+])CC2)nc1 ZINC000420354761 389990276 /nfs/dbraw/zinc/99/02/76/389990276.db2.gz DHNQQHCSWCBZGU-UHFFFAOYSA-N 2 2 292.383 0.729 20 0 CCADLP CCc1ccc(CN(C)C(=O)C[N@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000420355063 389990300 /nfs/dbraw/zinc/99/03/00/389990300.db2.gz PNOUMQOGVNDGQE-OAHLLOKOSA-N 2 2 293.411 0.459 20 0 CCADLP CCc1ccc(CN(C)C(=O)C[N@@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000420355063 389990303 /nfs/dbraw/zinc/99/03/03/389990303.db2.gz PNOUMQOGVNDGQE-OAHLLOKOSA-N 2 2 293.411 0.459 20 0 CCADLP CCc1ccc(CN(C)C(=O)C[N@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000420355062 389990414 /nfs/dbraw/zinc/99/04/14/389990414.db2.gz PNOUMQOGVNDGQE-HNNXBMFYSA-N 2 2 293.411 0.459 20 0 CCADLP CCc1ccc(CN(C)C(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000420355062 389990417 /nfs/dbraw/zinc/99/04/17/389990417.db2.gz PNOUMQOGVNDGQE-HNNXBMFYSA-N 2 2 293.411 0.459 20 0 CCADLP CCN(C(=O)[C@H](C)[N@H+](C)C[C@H](O)C[NH3+])c1ccccc1 ZINC000420358413 389990839 /nfs/dbraw/zinc/99/08/39/389990839.db2.gz UHDUEDUIDWIDHW-GXTWGEPZSA-N 2 2 279.384 0.679 20 0 CCADLP CCN(C(=O)[C@H](C)[N@@H+](C)C[C@H](O)C[NH3+])c1ccccc1 ZINC000420358413 389990841 /nfs/dbraw/zinc/99/08/41/389990841.db2.gz UHDUEDUIDWIDHW-GXTWGEPZSA-N 2 2 279.384 0.679 20 0 CCADLP Cc1cc(NC(=O)C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)n(C)n1 ZINC000420365510 389992580 /nfs/dbraw/zinc/99/25/80/389992580.db2.gz LFDBHBRBCZLFAG-OLUVUFQESA-N 2 2 279.388 0.643 20 0 CCADLP CCOCCNC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420366762 389992788 /nfs/dbraw/zinc/99/27/88/389992788.db2.gz MFSZPWBLLVFAKY-ZDUSSCGKSA-N 2 2 271.405 0.636 20 0 CCADLP CCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420372980 389993800 /nfs/dbraw/zinc/99/38/00/389993800.db2.gz MQPZTOALCXIQKX-TZMCWYRMSA-N 2 2 253.390 0.977 20 0 CCADLP CCCNC(=O)[C@@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420372980 389993802 /nfs/dbraw/zinc/99/38/02/389993802.db2.gz MQPZTOALCXIQKX-TZMCWYRMSA-N 2 2 253.390 0.977 20 0 CCADLP COCCCNC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420373434 389993913 /nfs/dbraw/zinc/99/39/13/389993913.db2.gz RASBXYMEQIWMJG-ZDUSSCGKSA-N 2 2 271.405 0.636 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)C[C@H](C)O1 ZINC000420372607 389994050 /nfs/dbraw/zinc/99/40/50/389994050.db2.gz QGHAFOCWRJCXKN-DGMCESFYSA-N 2 2 283.416 0.598 20 0 CCADLP COc1ccc(NC(=O)CC[N@H+](C)CC[NH3+])cc1 ZINC000420375398 389994445 /nfs/dbraw/zinc/99/44/45/389994445.db2.gz IXYNCMLLQBZJKF-UHFFFAOYSA-N 2 2 251.330 0.914 20 0 CCADLP COc1ccc(NC(=O)CC[N@@H+](C)CC[NH3+])cc1 ZINC000420375398 389994447 /nfs/dbraw/zinc/99/44/47/389994447.db2.gz IXYNCMLLQBZJKF-UHFFFAOYSA-N 2 2 251.330 0.914 20 0 CCADLP CC[C@H](F)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000440789912 390044962 /nfs/dbraw/zinc/04/49/62/390044962.db2.gz CMIHAEQCBPCXKP-STQMWFEESA-N 2 2 271.380 0.973 20 0 CCADLP CC[C@H](F)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000440789912 390044964 /nfs/dbraw/zinc/04/49/64/390044964.db2.gz CMIHAEQCBPCXKP-STQMWFEESA-N 2 2 271.380 0.973 20 0 CCADLP C[C@H](C[NH2+]CC[C@H]1CCOC1)C[NH+]1CCOCC1 ZINC000438192914 390002639 /nfs/dbraw/zinc/00/26/39/390002639.db2.gz UPJJGHGDHPPTSQ-KGLIPLIRSA-N 2 2 256.390 0.971 20 0 CCADLP CO[C@@H]1C[C@@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C12CCC2 ZINC000451839289 390004757 /nfs/dbraw/zinc/00/47/57/390004757.db2.gz RJJADMZYRMCVES-ZIAGYGMSSA-N 2 2 295.427 0.650 20 0 CCADLP CO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C12CCC2 ZINC000451839289 390004759 /nfs/dbraw/zinc/00/47/59/390004759.db2.gz RJJADMZYRMCVES-ZIAGYGMSSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000457099794 390028975 /nfs/dbraw/zinc/02/89/75/390028975.db2.gz NJPGTJCHHCJNFQ-QWHCGFSZSA-N 2 2 292.383 0.286 20 0 CCADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000457099794 390028977 /nfs/dbraw/zinc/02/89/77/390028977.db2.gz NJPGTJCHHCJNFQ-QWHCGFSZSA-N 2 2 292.383 0.286 20 0 CCADLP CCOC(=O)[C@@H]1C[N@H+](CCc2c[nH+]cn2C)CC12COC2 ZINC000459486138 390075487 /nfs/dbraw/zinc/07/54/87/390075487.db2.gz KNCQYXDVUXXIFK-ZDUSSCGKSA-N 2 2 293.367 0.474 20 0 CCADLP CCOC(=O)[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)CC12COC2 ZINC000459486138 390075488 /nfs/dbraw/zinc/07/54/88/390075488.db2.gz KNCQYXDVUXXIFK-ZDUSSCGKSA-N 2 2 293.367 0.474 20 0 CCADLP OC(C[NH+]1C[C@@H]2C[C@H]1CS2)C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459792265 390076378 /nfs/dbraw/zinc/07/63/78/390076378.db2.gz JMDPZJNOEJIFJH-UKJIMTQDSA-N 2 2 286.466 0.727 20 0 CCADLP OC(C[NH+]1C[C@@H]2C[C@H]1CS2)C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459792265 390076379 /nfs/dbraw/zinc/07/63/79/390076379.db2.gz JMDPZJNOEJIFJH-UKJIMTQDSA-N 2 2 286.466 0.727 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000487507342 390087861 /nfs/dbraw/zinc/08/78/61/390087861.db2.gz WMFWOVNBBDWWDO-HZSPNIEDSA-N 2 2 283.416 0.363 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000487507342 390087862 /nfs/dbraw/zinc/08/78/62/390087862.db2.gz WMFWOVNBBDWWDO-HZSPNIEDSA-N 2 2 283.416 0.363 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000487628741 390089127 /nfs/dbraw/zinc/08/91/27/390089127.db2.gz BZTHEXZRDLFJMJ-OLZOCXBDSA-N 2 2 281.400 0.165 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000487628741 390089128 /nfs/dbraw/zinc/08/91/28/390089128.db2.gz BZTHEXZRDLFJMJ-OLZOCXBDSA-N 2 2 281.400 0.165 20 0 CCADLP Cc1nc(N(C)C)nc(NCCC[N@@H+](C)C(C)C)[nH+]1 ZINC000488363706 390093069 /nfs/dbraw/zinc/09/30/69/390093069.db2.gz FRURRMXOVWTCPK-UHFFFAOYSA-N 2 2 266.393 0.810 20 0 CCADLP Cc1nc(N(C)C)nc(NCCC[N@H+](C)C(C)C)[nH+]1 ZINC000488363706 390093070 /nfs/dbraw/zinc/09/30/70/390093070.db2.gz FRURRMXOVWTCPK-UHFFFAOYSA-N 2 2 266.393 0.810 20 0 CCADLP Cc1nc(NCCC[N@@H+](C)C(C)C)nc(N(C)C)[nH+]1 ZINC000488363706 390093071 /nfs/dbraw/zinc/09/30/71/390093071.db2.gz FRURRMXOVWTCPK-UHFFFAOYSA-N 2 2 266.393 0.810 20 0 CCADLP Cc1nc(NCCC[N@H+](C)C(C)C)nc(N(C)C)[nH+]1 ZINC000488363706 390093072 /nfs/dbraw/zinc/09/30/72/390093072.db2.gz FRURRMXOVWTCPK-UHFFFAOYSA-N 2 2 266.393 0.810 20 0 CCADLP Cc1nc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)nc(N(C)C)[nH+]1 ZINC000488375433 390093216 /nfs/dbraw/zinc/09/32/16/390093216.db2.gz QUSNUVCSBLPUST-NWDGAFQWSA-N 2 2 276.388 0.707 20 0 CCADLP Cc1nc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)nc(N(C)C)[nH+]1 ZINC000488375433 390093217 /nfs/dbraw/zinc/09/32/17/390093217.db2.gz QUSNUVCSBLPUST-NWDGAFQWSA-N 2 2 276.388 0.707 20 0 CCADLP Cc1nc(N(C)C)nc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000488375433 390093218 /nfs/dbraw/zinc/09/32/18/390093218.db2.gz QUSNUVCSBLPUST-NWDGAFQWSA-N 2 2 276.388 0.707 20 0 CCADLP Cc1nc(N(C)C)nc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000488375433 390093219 /nfs/dbraw/zinc/09/32/19/390093219.db2.gz QUSNUVCSBLPUST-NWDGAFQWSA-N 2 2 276.388 0.707 20 0 CCADLP C[C@@H]1C[C@@H]1C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000488537459 390094559 /nfs/dbraw/zinc/09/45/59/390094559.db2.gz QPURXLHMRKACBU-MCIONIFRSA-N 2 2 281.400 0.165 20 0 CCADLP CC1CC[NH+](CCN2CC[NH+](C(C)(C)C(N)=O)CC2)CC1 ZINC000489878243 390102577 /nfs/dbraw/zinc/10/25/77/390102577.db2.gz ZYDZJUCPCMOGIF-UHFFFAOYSA-N 2 2 296.459 0.600 20 0 CCADLP C[C@H]1CN(c2cc[nH+]c(N(C)C)n2)CC[N@@H+]1CCO ZINC000490068161 390103925 /nfs/dbraw/zinc/10/39/25/390103925.db2.gz QQLWMZGCGUTIQB-NSHDSACASA-N 2 2 265.361 0.045 20 0 CCADLP C[C@H]1CN(c2cc[nH+]c(N(C)C)n2)CC[N@H+]1CCO ZINC000490068161 390103926 /nfs/dbraw/zinc/10/39/26/390103926.db2.gz QQLWMZGCGUTIQB-NSHDSACASA-N 2 2 265.361 0.045 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NCCc2cn(C)c[nH+]2)CCC[N@@H+]1C ZINC000458671402 390061338 /nfs/dbraw/zinc/06/13/38/390061338.db2.gz WWQRIPBPNJADGH-DGCLKSJQSA-N 2 2 279.388 0.745 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NCCc2cn(C)c[nH+]2)CCC[N@H+]1C ZINC000458671402 390061339 /nfs/dbraw/zinc/06/13/39/390061339.db2.gz WWQRIPBPNJADGH-DGCLKSJQSA-N 2 2 279.388 0.745 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)NCC1=CC[NH2+]CC1 ZINC000493477551 390126568 /nfs/dbraw/zinc/12/65/68/390126568.db2.gz AVOYNQHGXLCJES-ARJAWSKDSA-N 2 2 260.341 0.952 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000493812690 390127889 /nfs/dbraw/zinc/12/78/89/390127889.db2.gz CFSPWRSHJLGSFL-AIMRDXAKSA-N 2 2 292.383 0.881 20 0 CCADLP CC(C)(C[NH+]1CCOCC1)NC(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493843283 390128548 /nfs/dbraw/zinc/12/85/48/390128548.db2.gz JNILAZJNIQHKTO-ARJAWSKDSA-N 2 2 278.356 0.650 20 0 CCADLP O=C(NC[C@H]1CCC[NH2+]1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000578986733 390131041 /nfs/dbraw/zinc/13/10/41/390131041.db2.gz UVUUGJQITALHKP-SNVBAGLBSA-N 2 2 272.312 0.144 20 0 CCADLP CN(CC[NH3+])C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000579122010 390144429 /nfs/dbraw/zinc/14/44/29/390144429.db2.gz SDJZBUPGKWQRRU-UHFFFAOYSA-N 2 2 277.368 0.550 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000535721517 390148630 /nfs/dbraw/zinc/14/86/30/390148630.db2.gz GAIHBFYCFFYLMB-RYUDHWBXSA-N 2 2 282.413 0.825 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000535721517 390148632 /nfs/dbraw/zinc/14/86/32/390148632.db2.gz GAIHBFYCFFYLMB-RYUDHWBXSA-N 2 2 282.413 0.825 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000579224319 390152161 /nfs/dbraw/zinc/15/21/61/390152161.db2.gz AXEFFXAVYKIIST-KLHDSHLOSA-N 2 2 299.459 0.483 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000579224319 390152163 /nfs/dbraw/zinc/15/21/63/390152163.db2.gz AXEFFXAVYKIIST-KLHDSHLOSA-N 2 2 299.459 0.483 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[NH+](C)CC2)nc[nH+]1 ZINC000647844154 390189687 /nfs/dbraw/zinc/18/96/87/390189687.db2.gz TUFCANKAICYZQD-JTQLQIEISA-N 2 2 251.334 0.021 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000536068269 390157160 /nfs/dbraw/zinc/15/71/60/390157160.db2.gz YUFFUUHHTHPBPL-CHWSQXEVSA-N 2 2 292.383 0.505 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000536068269 390157162 /nfs/dbraw/zinc/15/71/62/390157162.db2.gz YUFFUUHHTHPBPL-CHWSQXEVSA-N 2 2 292.383 0.505 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2cn3ccsc3n2)[C@H](C[NH3+])C1 ZINC000579351164 390163977 /nfs/dbraw/zinc/16/39/77/390163977.db2.gz CWQFRJUNGTYHPI-LLVKDONJSA-N 2 2 293.396 0.040 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2cn3ccsc3n2)[C@H](C[NH3+])C1 ZINC000579351164 390163978 /nfs/dbraw/zinc/16/39/78/390163978.db2.gz CWQFRJUNGTYHPI-LLVKDONJSA-N 2 2 293.396 0.040 20 0 CCADLP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(F)(F)F ZINC000579824835 390211739 /nfs/dbraw/zinc/21/17/39/390211739.db2.gz WJWQHOYODGCMRD-IJLUTSLNSA-N 2 2 296.333 0.877 20 0 CCADLP CC(C)(O)C[NH+]1CCC([NH2+]CC(=O)NCC2CC2)CC1 ZINC000647909762 390214808 /nfs/dbraw/zinc/21/48/08/390214808.db2.gz JJJAUVWASNCJCM-UHFFFAOYSA-N 2 2 283.416 0.338 20 0 CCADLP C[C@H](C[NH2+]Cc1c[nH+]c2n1CCCC2)S(C)(=O)=O ZINC000580065977 390216214 /nfs/dbraw/zinc/21/62/14/390216214.db2.gz GCSWGTGNUMPVOY-SNVBAGLBSA-N 2 2 271.386 0.742 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@H]2CCC[NH+]2C)CCO1 ZINC000495140258 390218686 /nfs/dbraw/zinc/21/86/86/390218686.db2.gz NRKSYIVXMNHBTD-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@H]2CCC[NH+]2C)CCO1 ZINC000495140258 390218688 /nfs/dbraw/zinc/21/86/88/390218688.db2.gz NRKSYIVXMNHBTD-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1C[NH+](CCNC(=O)NC[C@H]2CCC[N@@H+]2C)CCO1 ZINC000495140258 390218690 /nfs/dbraw/zinc/21/86/90/390218690.db2.gz NRKSYIVXMNHBTD-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1C[NH+](CCNC(=O)NC[C@H]2CCC[N@H+]2C)CCO1 ZINC000495140258 390218692 /nfs/dbraw/zinc/21/86/92/390218692.db2.gz NRKSYIVXMNHBTD-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CC1([NH3+])CC[NH+](CC(=O)NC[C@@H]2CCCO2)CC1 ZINC000647924823 390219311 /nfs/dbraw/zinc/21/93/11/390219311.db2.gz NDMLQLCXBOWYTB-NSHDSACASA-N 2 2 255.362 0.095 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)([NH3+])CC2)C[C@@H](C)O1 ZINC000647927721 390220130 /nfs/dbraw/zinc/22/01/30/390220130.db2.gz BGULDLBZWMGKTP-VXGBXAGGSA-N 2 2 269.389 0.435 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)CC[C@H]1[NH3+] ZINC000647934314 390221778 /nfs/dbraw/zinc/22/17/78/390221778.db2.gz ADUKAWDMWOGGRX-CHWSQXEVSA-N 2 2 253.390 0.914 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)CC[C@H]1[NH3+] ZINC000647934314 390221780 /nfs/dbraw/zinc/22/17/80/390221780.db2.gz ADUKAWDMWOGGRX-CHWSQXEVSA-N 2 2 253.390 0.914 20 0 CCADLP CCN1CC[N@H+](CCCn2cc[nH+]c2)[C@H](C)C1=O ZINC000495257301 390229523 /nfs/dbraw/zinc/22/95/23/390229523.db2.gz WAEHPHSCKFMWIJ-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP CCN1CC[N@@H+](CCCn2cc[nH+]c2)[C@H](C)C1=O ZINC000495257301 390229526 /nfs/dbraw/zinc/22/95/26/390229526.db2.gz WAEHPHSCKFMWIJ-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP CCNC(=O)c1cccc(NC(=O)C[N@H+](C)CCC[NH3+])c1 ZINC000647849054 390192255 /nfs/dbraw/zinc/19/22/55/390192255.db2.gz GDVGBDHBAMDWKJ-UHFFFAOYSA-N 2 2 292.383 0.655 20 0 CCADLP CCNC(=O)c1cccc(NC(=O)C[N@@H+](C)CCC[NH3+])c1 ZINC000647849054 390192259 /nfs/dbraw/zinc/19/22/59/390192259.db2.gz GDVGBDHBAMDWKJ-UHFFFAOYSA-N 2 2 292.383 0.655 20 0 CCADLP CN1CCC[C@@H]([NH+]2CCC([N@H+](C)CCCO)CC2)C1=O ZINC000538707283 390196296 /nfs/dbraw/zinc/19/62/96/390196296.db2.gz PLJPUVLRCFJWNL-CQSZACIVSA-N 2 2 283.416 0.386 20 0 CCADLP CN1CCC[C@@H]([NH+]2CCC([N@@H+](C)CCCO)CC2)C1=O ZINC000538707283 390196298 /nfs/dbraw/zinc/19/62/98/390196298.db2.gz PLJPUVLRCFJWNL-CQSZACIVSA-N 2 2 283.416 0.386 20 0 CCADLP C[C@H]([NH3+])[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000647865739 390198177 /nfs/dbraw/zinc/19/81/77/390198177.db2.gz RPLAOHMQTMHVBJ-JSGCOSHPSA-N 3 2 255.406 0.814 20 0 CCADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000647865739 390198179 /nfs/dbraw/zinc/19/81/79/390198179.db2.gz RPLAOHMQTMHVBJ-JSGCOSHPSA-N 3 2 255.406 0.814 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCO[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000647865587 390198254 /nfs/dbraw/zinc/19/82/54/390198254.db2.gz NZRSSAPKXDUJOK-HOTGVXAUSA-N 3 2 298.475 0.451 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCO[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000647865587 390198255 /nfs/dbraw/zinc/19/82/55/390198255.db2.gz NZRSSAPKXDUJOK-HOTGVXAUSA-N 3 2 298.475 0.451 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+]C1(C(N)=O)CCCCC1 ZINC000647968719 390233207 /nfs/dbraw/zinc/23/32/07/390233207.db2.gz SPMMJANTVOKHCE-LBPRGKRZSA-N 2 2 271.405 0.465 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+]C1(C(N)=O)CCCCC1 ZINC000647968719 390233209 /nfs/dbraw/zinc/23/32/09/390233209.db2.gz SPMMJANTVOKHCE-LBPRGKRZSA-N 2 2 271.405 0.465 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@]1(CO)COCC2(CCC2)N1C ZINC000527756312 285364736 /nfs/dbraw/zinc/36/47/36/285364736.db2.gz ZJPMVUQSQZIUJE-IJEWVQPXSA-N 2 2 297.443 0.142 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@]1(CO)COCC2(CCC2)N1C ZINC000527756312 285364739 /nfs/dbraw/zinc/36/47/39/285364739.db2.gz ZJPMVUQSQZIUJE-IJEWVQPXSA-N 2 2 297.443 0.142 20 0 CCADLP COCC[NH+]1CCC([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000581126328 390250312 /nfs/dbraw/zinc/25/03/12/390250312.db2.gz DDBQQNSXZWEFOL-HNNXBMFYSA-N 3 2 285.432 0.142 20 0 CCADLP COCC[NH+]1CCC([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000581126328 390250315 /nfs/dbraw/zinc/25/03/15/390250315.db2.gz DDBQQNSXZWEFOL-HNNXBMFYSA-N 3 2 285.432 0.142 20 0 CCADLP C[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](O)COCc2ccco2)C1 ZINC000644547866 390250479 /nfs/dbraw/zinc/25/04/79/390250479.db2.gz DFMMCJRCFIUXRU-CHWSQXEVSA-N 2 2 268.357 0.841 20 0 CCADLP C[N@H+]1CCC[C@@H]([NH2+]C[C@@H](O)COCc2ccco2)C1 ZINC000644547866 390250481 /nfs/dbraw/zinc/25/04/81/390250481.db2.gz DFMMCJRCFIUXRU-CHWSQXEVSA-N 2 2 268.357 0.841 20 0 CCADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)Cn1cccn1 ZINC000644569364 390255234 /nfs/dbraw/zinc/25/52/34/390255234.db2.gz MCHKPYYMAGPYKB-KGLIPLIRSA-N 2 2 266.389 0.708 20 0 CCADLP COCCOCC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000543448703 390283159 /nfs/dbraw/zinc/28/31/59/390283159.db2.gz RIKNYERAZPZPQY-GFCCVEGCSA-N 2 2 253.346 0.872 20 0 CCADLP COCCOCC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000543448703 390283160 /nfs/dbraw/zinc/28/31/60/390283160.db2.gz RIKNYERAZPZPQY-GFCCVEGCSA-N 2 2 253.346 0.872 20 0 CCADLP C[N@@H+]1C[C@H]2CCN(CC[NH+]3C[C@H]4CC[C@@H](C3)O4)[C@H]2C1 ZINC000644734331 390298364 /nfs/dbraw/zinc/29/83/64/390298364.db2.gz NWPBVLPHLKPCME-KBXIAJHMSA-N 2 2 265.401 0.486 20 0 CCADLP C[N@H+]1C[C@H]2CCN(CC[NH+]3C[C@H]4CC[C@@H](C3)O4)[C@H]2C1 ZINC000644734331 390298366 /nfs/dbraw/zinc/29/83/66/390298366.db2.gz NWPBVLPHLKPCME-KBXIAJHMSA-N 2 2 265.401 0.486 20 0 CCADLP C[NH+]1C[C@H]2CCN(CC[N@H+]3C[C@H]4CC[C@@H](C3)O4)[C@H]2C1 ZINC000644734331 390298370 /nfs/dbraw/zinc/29/83/70/390298370.db2.gz NWPBVLPHLKPCME-KBXIAJHMSA-N 2 2 265.401 0.486 20 0 CCADLP C[NH+]1C[C@H]2CCN(CC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)[C@H]2C1 ZINC000644734331 390298374 /nfs/dbraw/zinc/29/83/74/390298374.db2.gz NWPBVLPHLKPCME-KBXIAJHMSA-N 2 2 265.401 0.486 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000583760671 390309246 /nfs/dbraw/zinc/30/92/46/390309246.db2.gz IGHUQIDYFVDUHD-VHDGCEQUSA-N 2 2 286.416 0.425 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000583760671 390309250 /nfs/dbraw/zinc/30/92/50/390309250.db2.gz IGHUQIDYFVDUHD-VHDGCEQUSA-N 2 2 286.416 0.425 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000583760671 390309252 /nfs/dbraw/zinc/30/92/52/390309252.db2.gz IGHUQIDYFVDUHD-VHDGCEQUSA-N 2 2 286.416 0.425 20 0 CCADLP [NH3+][C@H]1C[C@@H](C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000648158652 390318927 /nfs/dbraw/zinc/31/89/27/390318927.db2.gz NIEPVQSHKPXVQM-TUAOUCFPSA-N 2 2 260.341 0.514 20 0 CCADLP Cc1cc(NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)nc[nH+]1 ZINC000585554946 390359218 /nfs/dbraw/zinc/35/92/18/390359218.db2.gz LMHABKIPKXWFDQ-CYBMUJFWSA-N 2 2 289.383 0.892 20 0 CCADLP Cc1cc(NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)nc[nH+]1 ZINC000585554947 390359385 /nfs/dbraw/zinc/35/93/85/390359385.db2.gz LMHABKIPKXWFDQ-ZDUSSCGKSA-N 2 2 289.383 0.892 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H](CN2CCOC2=O)C1)C1CC1 ZINC000497070109 390412615 /nfs/dbraw/zinc/41/26/15/390412615.db2.gz HCRJDEXGKDNXPD-OCCSQVGLSA-N 2 2 297.399 0.216 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H](CN2CCOC2=O)C1)C1CC1 ZINC000497070109 390412616 /nfs/dbraw/zinc/41/26/16/390412616.db2.gz HCRJDEXGKDNXPD-OCCSQVGLSA-N 2 2 297.399 0.216 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H](CN2CCOC2=O)C1)C1CC1 ZINC000497070109 390412618 /nfs/dbraw/zinc/41/26/18/390412618.db2.gz HCRJDEXGKDNXPD-OCCSQVGLSA-N 2 2 297.399 0.216 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H](CN2CCOC2=O)C1)C1CC1 ZINC000497070109 390412621 /nfs/dbraw/zinc/41/26/21/390412621.db2.gz HCRJDEXGKDNXPD-OCCSQVGLSA-N 2 2 297.399 0.216 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC[N@@H+]1CCCOCC1 ZINC000554607080 390436646 /nfs/dbraw/zinc/43/66/46/390436646.db2.gz GTCHXDMRGYJNQI-UHFFFAOYSA-N 2 2 266.345 0.181 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC[N@H+]1CCCOCC1 ZINC000554607080 390436649 /nfs/dbraw/zinc/43/66/49/390436649.db2.gz GTCHXDMRGYJNQI-UHFFFAOYSA-N 2 2 266.345 0.181 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC[N@@H+]1CCCOCC1 ZINC000554607080 390436651 /nfs/dbraw/zinc/43/66/51/390436651.db2.gz GTCHXDMRGYJNQI-UHFFFAOYSA-N 2 2 266.345 0.181 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC[N@H+]1CCCOCC1 ZINC000554607080 390436655 /nfs/dbraw/zinc/43/66/55/390436655.db2.gz GTCHXDMRGYJNQI-UHFFFAOYSA-N 2 2 266.345 0.181 20 0 CCADLP C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000645492796 390437406 /nfs/dbraw/zinc/43/74/06/390437406.db2.gz ZCEHSILLUHKYFG-ZYHUDNBSSA-N 2 2 262.357 0.762 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNc1nc(N)[nH+]c2c1CCCC2 ZINC000645157009 390379510 /nfs/dbraw/zinc/37/95/10/390379510.db2.gz GICRNZBIYQXKBO-LLVKDONJSA-N 2 2 291.399 0.322 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNc1nc(N)[nH+]c2c1CCCC2 ZINC000645157009 390379516 /nfs/dbraw/zinc/37/95/16/390379516.db2.gz GICRNZBIYQXKBO-LLVKDONJSA-N 2 2 291.399 0.322 20 0 CCADLP CN1CC[NH+](CCCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000606345996 390385065 /nfs/dbraw/zinc/38/50/65/390385065.db2.gz BTPMGPQHHJEFDZ-CQSZACIVSA-N 2 2 282.432 0.224 20 0 CCADLP CN1CC[NH+](CCCNC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000606345996 390385067 /nfs/dbraw/zinc/38/50/67/390385067.db2.gz BTPMGPQHHJEFDZ-CQSZACIVSA-N 2 2 282.432 0.224 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCCCn2cc[nH+]c2)CC[N@@H+]1C ZINC000648713163 390393705 /nfs/dbraw/zinc/39/37/05/390393705.db2.gz LZFCURPTVGRWJP-VXGBXAGGSA-N 2 2 250.346 0.730 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCCCn2cc[nH+]c2)CC[N@H+]1C ZINC000648713163 390393709 /nfs/dbraw/zinc/39/37/09/390393709.db2.gz LZFCURPTVGRWJP-VXGBXAGGSA-N 2 2 250.346 0.730 20 0 CCADLP C[C@@H]1[C@H](C(=O)N(C)Cc2[nH+]ccn2C)CC[N@@H+]1C ZINC000648717648 390394346 /nfs/dbraw/zinc/39/43/46/390394346.db2.gz KVMJGGIHKAQFMW-GHMZBOCLSA-N 2 2 250.346 0.719 20 0 CCADLP C[C@@H]1[C@H](C(=O)N(C)Cc2[nH+]ccn2C)CC[N@H+]1C ZINC000648717648 390394349 /nfs/dbraw/zinc/39/43/49/390394349.db2.gz KVMJGGIHKAQFMW-GHMZBOCLSA-N 2 2 250.346 0.719 20 0 CCADLP C[C@H](CCCO)C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000519400701 390498866 /nfs/dbraw/zinc/49/88/66/390498866.db2.gz MUFVHYDCARLYKA-KBXIAJHMSA-N 2 2 288.432 0.455 20 0 CCADLP C[C@H](CCCO)C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000519400701 390498871 /nfs/dbraw/zinc/49/88/71/390498871.db2.gz MUFVHYDCARLYKA-KBXIAJHMSA-N 2 2 288.432 0.455 20 0 CCADLP O=C([C@@H]1C[NH2+]CCO1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000645813528 390501862 /nfs/dbraw/zinc/50/18/62/390501862.db2.gz YSUITQGVKCLJIM-QWRGUYRKSA-N 2 2 264.329 0.452 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000565398853 390509703 /nfs/dbraw/zinc/50/97/03/390509703.db2.gz NMIOXAQWIVISEP-ZDUSSCGKSA-N 2 2 262.357 0.706 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000565398853 390509705 /nfs/dbraw/zinc/50/97/05/390509705.db2.gz NMIOXAQWIVISEP-ZDUSSCGKSA-N 2 2 262.357 0.706 20 0 CCADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC000519567375 390510126 /nfs/dbraw/zinc/51/01/26/390510126.db2.gz PDWXZCXBKJKSBC-CYBMUJFWSA-N 2 2 299.415 0.328 20 0 CCADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC000519567375 390510131 /nfs/dbraw/zinc/51/01/31/390510131.db2.gz PDWXZCXBKJKSBC-CYBMUJFWSA-N 2 2 299.415 0.328 20 0 CCADLP COC(=O)C[NH+]1CCC[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC000519567375 390510134 /nfs/dbraw/zinc/51/01/34/390510134.db2.gz PDWXZCXBKJKSBC-CYBMUJFWSA-N 2 2 299.415 0.328 20 0 CCADLP COC(=O)C[NH+]1CCC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC000519567375 390510137 /nfs/dbraw/zinc/51/01/37/390510137.db2.gz PDWXZCXBKJKSBC-CYBMUJFWSA-N 2 2 299.415 0.328 20 0 CCADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000643472144 390451655 /nfs/dbraw/zinc/45/16/55/390451655.db2.gz ZTVUOKJYLFHUPJ-RRFJBIMHSA-N 3 2 269.433 0.811 20 0 CCADLP CC(C)([NH3+])CCC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000649320619 390578405 /nfs/dbraw/zinc/57/84/05/390578405.db2.gz PWJWSUYDJOSADG-UHFFFAOYSA-N 2 2 271.405 0.731 20 0 CCADLP CC(C)([NH3+])CCC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000649320619 390578409 /nfs/dbraw/zinc/57/84/09/390578409.db2.gz PWJWSUYDJOSADG-UHFFFAOYSA-N 2 2 271.405 0.731 20 0 CCADLP [NH3+]Cc1ccc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)o1 ZINC000649321015 390578620 /nfs/dbraw/zinc/57/86/20/390578620.db2.gz IHIFDLXCHQSXGU-STQMWFEESA-N 2 2 293.367 0.410 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC000649215412 390525566 /nfs/dbraw/zinc/52/55/66/390525566.db2.gz OAAUMHRRKOPXAH-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC000649215412 390525574 /nfs/dbraw/zinc/52/55/74/390525574.db2.gz OAAUMHRRKOPXAH-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000649215668 390526227 /nfs/dbraw/zinc/52/62/27/390526227.db2.gz WENAIBSOPAPVLP-UPJWGTAASA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000649215668 390526231 /nfs/dbraw/zinc/52/62/31/390526231.db2.gz WENAIBSOPAPVLP-UPJWGTAASA-N 2 2 276.384 0.997 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000519714872 390534227 /nfs/dbraw/zinc/53/42/27/390534227.db2.gz WLZCUUNQCCLCJY-CYBMUJFWSA-N 2 2 294.399 0.769 20 0 CCADLP C[NH+](C)CCn1ccc(C(=O)NCc2[nH]cc[nH+]2)n1 ZINC000565666113 390534818 /nfs/dbraw/zinc/53/48/18/390534818.db2.gz IWOUXBITZUWASC-UHFFFAOYSA-N 2 2 262.317 0.098 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000565719239 390539833 /nfs/dbraw/zinc/53/98/33/390539833.db2.gz NIROMXUCCZNQPQ-SRVKXCTJSA-N 2 2 257.378 0.197 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000565719239 390539836 /nfs/dbraw/zinc/53/98/36/390539836.db2.gz NIROMXUCCZNQPQ-SRVKXCTJSA-N 2 2 257.378 0.197 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCC(C)(C)[NH3+])C2)CC1 ZINC000649334023 390590009 /nfs/dbraw/zinc/59/00/09/390590009.db2.gz CKDDEZJOHMTTLR-ZDUSSCGKSA-N 3 2 296.459 0.789 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCC(C)(C)[NH3+])C2)CC1 ZINC000649334023 390590015 /nfs/dbraw/zinc/59/00/15/390590015.db2.gz CKDDEZJOHMTTLR-ZDUSSCGKSA-N 3 2 296.459 0.789 20 0 CCADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000645944184 390542383 /nfs/dbraw/zinc/54/23/83/390542383.db2.gz WWNLNYPMRAXTCZ-CYBMUJFWSA-N 2 2 291.399 0.062 20 0 CCADLP C[N@@H+]1CCN(C(=O)c2c[nH]c3ncccc23)[C@H](C[NH3+])C1 ZINC000649274835 390543514 /nfs/dbraw/zinc/54/35/14/390543514.db2.gz WZVMYFVLGNUQDJ-SNVBAGLBSA-N 2 2 273.340 0.278 20 0 CCADLP C[N@H+]1CCN(C(=O)c2c[nH]c3ncccc23)[C@H](C[NH3+])C1 ZINC000649274835 390543518 /nfs/dbraw/zinc/54/35/18/390543518.db2.gz WZVMYFVLGNUQDJ-SNVBAGLBSA-N 2 2 273.340 0.278 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)COCC[NH3+])cn21 ZINC000645961715 390550211 /nfs/dbraw/zinc/55/02/11/390550211.db2.gz JUCLVOXVDQKNEI-UHFFFAOYSA-N 2 2 262.313 0.234 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000649293844 390555565 /nfs/dbraw/zinc/55/55/65/390555565.db2.gz LQKIYERXZBKJOH-GHMZBOCLSA-N 2 2 291.342 0.068 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645977558 390555980 /nfs/dbraw/zinc/55/59/80/390555980.db2.gz HJNXGGXPZRXMFJ-KCQAQPDRSA-N 3 2 294.443 0.269 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645977558 390555984 /nfs/dbraw/zinc/55/59/84/390555984.db2.gz HJNXGGXPZRXMFJ-KCQAQPDRSA-N 3 2 294.443 0.269 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])CCO1 ZINC000565895798 390556824 /nfs/dbraw/zinc/55/68/24/390556824.db2.gz VVGNAAWJTNLFDY-NFAWXSAZSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])CCO1 ZINC000565895798 390556826 /nfs/dbraw/zinc/55/68/26/390556826.db2.gz VVGNAAWJTNLFDY-NFAWXSAZSA-N 2 2 283.416 0.731 20 0 CCADLP CN(C)C(=O)C[C@]1(O)CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000643812650 390567138 /nfs/dbraw/zinc/56/71/38/390567138.db2.gz QDOXSDBGQUJSFN-CQSZACIVSA-N 2 2 280.372 0.188 20 0 CCADLP CN(C)C(=O)C[C@]1(O)CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000643812650 390567140 /nfs/dbraw/zinc/56/71/40/390567140.db2.gz QDOXSDBGQUJSFN-CQSZACIVSA-N 2 2 280.372 0.188 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C2([NH3+])CCCC2)CCO1 ZINC000649312491 390572655 /nfs/dbraw/zinc/57/26/55/390572655.db2.gz VBTKFLBTBCFEGE-LLVKDONJSA-N 2 2 255.362 0.095 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2([NH3+])CCCC2)CCO1 ZINC000649312491 390572657 /nfs/dbraw/zinc/57/26/57/390572657.db2.gz VBTKFLBTBCFEGE-LLVKDONJSA-N 2 2 255.362 0.095 20 0 CCADLP CC1(C)C[NH2+][C@@H]1C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000649319745 390577443 /nfs/dbraw/zinc/57/74/43/390577443.db2.gz VNXYKMZJMKLHFS-ZIAGYGMSSA-N 2 2 295.427 0.698 20 0 CCADLP O=C(NCCNc1ccc2ccccc2[nH+]1)[C@H]1CC[NH2+]1 ZINC000646033356 390577954 /nfs/dbraw/zinc/57/79/54/390577954.db2.gz GLSBHDVONGQWFG-CYBMUJFWSA-N 2 2 270.336 0.547 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000649320676 390578170 /nfs/dbraw/zinc/57/81/70/390578170.db2.gz VUNHVNLQKLICFM-WDEREUQCSA-N 2 2 291.342 0.068 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000649320676 390578175 /nfs/dbraw/zinc/57/81/75/390578175.db2.gz VUNHVNLQKLICFM-WDEREUQCSA-N 2 2 291.342 0.068 20 0 CCADLP CC[N@H+](C)C[C@@H]1CCN(c2nc[nH+]c(N)c2OC)C1 ZINC000566478146 390619576 /nfs/dbraw/zinc/61/95/76/390619576.db2.gz CVTTYQYBJXMCRR-JTQLQIEISA-N 2 2 265.361 0.845 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CCN(c2nc[nH+]c(N)c2OC)C1 ZINC000566478146 390619577 /nfs/dbraw/zinc/61/95/77/390619577.db2.gz CVTTYQYBJXMCRR-JTQLQIEISA-N 2 2 265.361 0.845 20 0 CCADLP CC[N@H+](C)C[C@@H]1CCN(c2[nH+]cnc(N)c2OC)C1 ZINC000566478146 390619579 /nfs/dbraw/zinc/61/95/79/390619579.db2.gz CVTTYQYBJXMCRR-JTQLQIEISA-N 2 2 265.361 0.845 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CCN(c2[nH+]cnc(N)c2OC)C1 ZINC000566478146 390619581 /nfs/dbraw/zinc/61/95/81/390619581.db2.gz CVTTYQYBJXMCRR-JTQLQIEISA-N 2 2 265.361 0.845 20 0 CCADLP Cc1ccc(F)c(OCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000566560101 390629057 /nfs/dbraw/zinc/62/90/57/390629057.db2.gz DQKYHCSMIIUPEQ-LBPRGKRZSA-N 2 2 295.358 0.614 20 0 CCADLP Cc1ccc(F)c(OCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000566560101 390629059 /nfs/dbraw/zinc/62/90/59/390629059.db2.gz DQKYHCSMIIUPEQ-LBPRGKRZSA-N 2 2 295.358 0.614 20 0 CCADLP OCC1([NH2+]CC2CC2)CCN(CC[NH+]2CCOCC2)CC1 ZINC000566681724 390639169 /nfs/dbraw/zinc/63/91/69/390639169.db2.gz KXGMXSIRLGFWMJ-UHFFFAOYSA-N 2 2 297.443 0.145 20 0 CCADLP OCC1([NH2+]CC2CC2)CC[NH+](CCN2CCOCC2)CC1 ZINC000566681724 390639171 /nfs/dbraw/zinc/63/91/71/390639171.db2.gz KXGMXSIRLGFWMJ-UHFFFAOYSA-N 2 2 297.443 0.145 20 0 CCADLP [NH3+]CCCCC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000646265300 390654078 /nfs/dbraw/zinc/65/40/78/390654078.db2.gz RVAGCSDDKSPFOK-LBPRGKRZSA-N 2 2 262.357 0.906 20 0 CCADLP Cc1cnccc1C[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000566910518 390658263 /nfs/dbraw/zinc/65/82/63/390658263.db2.gz PJIZCQFKVQKVRM-FMKPAKJESA-N 2 2 293.411 0.950 20 0 CCADLP C(C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)OC[C@H]1CCCO1 ZINC000525122556 390659323 /nfs/dbraw/zinc/65/93/23/390659323.db2.gz GXIQXRDYCDXBGN-HZPDHXFCSA-N 2 2 298.427 0.836 20 0 CCADLP C(C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)OC[C@H]1CCCO1 ZINC000525122556 390659327 /nfs/dbraw/zinc/65/93/27/390659327.db2.gz GXIQXRDYCDXBGN-HZPDHXFCSA-N 2 2 298.427 0.836 20 0 CCADLP C[NH+]1CCC2(CC1)C[N@H+](CC(=O)NC1CCCC1)CCO2 ZINC000646103439 390597834 /nfs/dbraw/zinc/59/78/34/390597834.db2.gz SAUSGXQUVMIFTM-UHFFFAOYSA-N 2 2 295.427 0.842 20 0 CCADLP C[NH+]1CCC2(CC1)C[N@@H+](CC(=O)NC1CCCC1)CCO2 ZINC000646103439 390597840 /nfs/dbraw/zinc/59/78/40/390597840.db2.gz SAUSGXQUVMIFTM-UHFFFAOYSA-N 2 2 295.427 0.842 20 0 CCADLP CCOCCO[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000566414002 390598947 /nfs/dbraw/zinc/59/89/47/390598947.db2.gz KTIJEUXWXORQJL-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP CCOCCO[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000566414002 390598951 /nfs/dbraw/zinc/59/89/51/390598951.db2.gz KTIJEUXWXORQJL-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP CCOCCO[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)CC)C1 ZINC000566414002 390598953 /nfs/dbraw/zinc/59/89/53/390598953.db2.gz KTIJEUXWXORQJL-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP CCOCCO[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)CC)C1 ZINC000566414002 390598957 /nfs/dbraw/zinc/59/89/57/390598957.db2.gz KTIJEUXWXORQJL-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP C[NH+]1CCC2(CC1)C[N@H+](C[C@@H](O)C(F)(F)F)CCO2 ZINC000646106362 390598991 /nfs/dbraw/zinc/59/89/91/390598991.db2.gz VZQRGXLMPMIHLG-SNVBAGLBSA-N 2 2 282.306 0.706 20 0 CCADLP C[NH+]1CCC2(CC1)C[N@@H+](C[C@@H](O)C(F)(F)F)CCO2 ZINC000646106362 390598995 /nfs/dbraw/zinc/59/89/95/390598995.db2.gz VZQRGXLMPMIHLG-SNVBAGLBSA-N 2 2 282.306 0.706 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000521285559 390603249 /nfs/dbraw/zinc/60/32/49/390603249.db2.gz AJTXKPJYGUUVLD-LLVKDONJSA-N 2 2 265.361 0.561 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000521285559 390603254 /nfs/dbraw/zinc/60/32/54/390603254.db2.gz AJTXKPJYGUUVLD-LLVKDONJSA-N 2 2 265.361 0.561 20 0 CCADLP NC(=O)c1c[nH+]ccc1NCCc1cn2c([nH+]1)CCCC2 ZINC000527481530 390705399 /nfs/dbraw/zinc/70/53/99/390705399.db2.gz WUTCJUMRLWPCCL-UHFFFAOYSA-N 2 2 285.351 0.790 20 0 CCADLP CSC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000567613103 390706427 /nfs/dbraw/zinc/70/64/27/390706427.db2.gz NKRWTIYQYVRBOS-NEPJUHHUSA-N 2 2 262.419 0.147 20 0 CCADLP CSC[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000567613103 390706429 /nfs/dbraw/zinc/70/64/29/390706429.db2.gz NKRWTIYQYVRBOS-NEPJUHHUSA-N 2 2 262.419 0.147 20 0 CCADLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)C[C@H](C)[NH2+]1 ZINC000646736980 390714921 /nfs/dbraw/zinc/71/49/21/390714921.db2.gz HSYRAEPSUATJSP-PHIMTYICSA-N 2 2 286.339 0.485 20 0 CCADLP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1nnnn1CC1CC1 ZINC000571394951 390733541 /nfs/dbraw/zinc/73/35/41/390733541.db2.gz GNZVWUHBNJTBEI-WDEREUQCSA-N 2 2 250.350 0.300 20 0 CCADLP Cc1ccccc1OCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000646835605 390726103 /nfs/dbraw/zinc/72/61/03/390726103.db2.gz QDJNQBSKEASVHQ-ZDUSSCGKSA-N 2 2 277.368 0.475 20 0 CCADLP Cc1ccccc1OCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000646835605 390726104 /nfs/dbraw/zinc/72/61/04/390726104.db2.gz QDJNQBSKEASVHQ-ZDUSSCGKSA-N 2 2 277.368 0.475 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCc2ccccc2F)[C@@H](C[NH3+])C1 ZINC000646835543 390726127 /nfs/dbraw/zinc/72/61/27/390726127.db2.gz BDWLKKAFPWUVRS-ZDUSSCGKSA-N 2 2 279.359 0.860 20 0 CCADLP C[N@H+]1CCN(C(=O)CCc2ccccc2F)[C@@H](C[NH3+])C1 ZINC000646835543 390726128 /nfs/dbraw/zinc/72/61/28/390726128.db2.gz BDWLKKAFPWUVRS-ZDUSSCGKSA-N 2 2 279.359 0.860 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@H]2CCCSC2)C[C@@H](C)O1 ZINC000567103492 390671815 /nfs/dbraw/zinc/67/18/15/390671815.db2.gz FPWWCMQXBOIUJP-YIYPIFLZSA-N 2 2 288.457 0.942 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000571897480 390758415 /nfs/dbraw/zinc/75/84/15/390758415.db2.gz IWMNOBINYWCIOL-OKILXGFUSA-N 2 2 298.431 0.537 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000571897480 390758416 /nfs/dbraw/zinc/75/84/16/390758416.db2.gz IWMNOBINYWCIOL-OKILXGFUSA-N 2 2 298.431 0.537 20 0 CCADLP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000647058556 390768119 /nfs/dbraw/zinc/76/81/19/390768119.db2.gz QTJFPSXZRKLIEI-QWRGUYRKSA-N 2 2 289.314 0.697 20 0 CCADLP CC1([NH+]2CCOCC2)CC[NH+](CCN2CCCC2=O)CC1 ZINC000528730084 390772328 /nfs/dbraw/zinc/77/23/28/390772328.db2.gz UUBDYEVTCVBGFA-UHFFFAOYSA-N 2 2 295.427 0.796 20 0 CCADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](CO)c1ccnn1C ZINC000572238987 390773675 /nfs/dbraw/zinc/77/36/75/390773675.db2.gz DOACDCZFCKTIIT-ZDUSSCGKSA-N 2 2 260.341 0.989 20 0 CCADLP COc1ccc(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)nc1 ZINC000572394806 390781414 /nfs/dbraw/zinc/78/14/14/390781414.db2.gz VSGONXHCORTKCP-ZDUSSCGKSA-N 2 2 265.357 0.635 20 0 CCADLP COc1ccc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)nc1 ZINC000572394806 390781415 /nfs/dbraw/zinc/78/14/15/390781415.db2.gz VSGONXHCORTKCP-ZDUSSCGKSA-N 2 2 265.357 0.635 20 0 CCADLP CCC(C)(C)CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000572499655 390786521 /nfs/dbraw/zinc/78/65/21/390786521.db2.gz TWIVREXEIQPWMU-NSHDSACASA-N 2 2 256.394 0.707 20 0 CCADLP CCC(C)(C)CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000572499655 390786523 /nfs/dbraw/zinc/78/65/23/390786523.db2.gz TWIVREXEIQPWMU-NSHDSACASA-N 2 2 256.394 0.707 20 0 CCADLP COC[C@]1(CNC(=O)c2c[nH+]c(C)[nH]2)CCC[NH2+]1 ZINC000423641224 533236302 /nfs/dbraw/zinc/23/63/02/533236302.db2.gz WLRGVZGIPWBYEJ-GFCCVEGCSA-N 2 2 252.318 0.217 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)CCOC1C[NH2+]C1 ZINC000572639160 390794062 /nfs/dbraw/zinc/79/40/62/390794062.db2.gz QZRZVWQZTISIIS-UHFFFAOYSA-N 2 2 266.345 0.110 20 0 CCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCCCn1cc[nH+]c1 ZINC000529282534 390801462 /nfs/dbraw/zinc/80/14/62/390801462.db2.gz QLQHLMVKDNLCQQ-ZDUSSCGKSA-N 2 2 279.388 0.913 20 0 CCADLP CC1(C)CC[N@H+](CC(=O)NCC[NH+]2CCOCC2)C1 ZINC000578057773 390861679 /nfs/dbraw/zinc/86/16/79/390861679.db2.gz QWWPBJGSNMLJNO-UHFFFAOYSA-N 2 2 269.389 0.167 20 0 CCADLP CC1(C)CC[N@@H+](CC(=O)NCC[NH+]2CCOCC2)C1 ZINC000578057773 390861682 /nfs/dbraw/zinc/86/16/82/390861682.db2.gz QWWPBJGSNMLJNO-UHFFFAOYSA-N 2 2 269.389 0.167 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](CO)c1cccc(F)c1 ZINC000578244692 390873294 /nfs/dbraw/zinc/87/32/94/390873294.db2.gz CKJGQCHWWKHNSU-UONOGXRCSA-N 2 2 270.348 0.761 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](CO)c1cccc(F)c1 ZINC000578244692 390873297 /nfs/dbraw/zinc/87/32/97/390873297.db2.gz CKJGQCHWWKHNSU-UONOGXRCSA-N 2 2 270.348 0.761 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCc1ncn(C)n1 ZINC000647327016 390813356 /nfs/dbraw/zinc/81/33/56/390813356.db2.gz RRPAYXFWADOEDO-YPMHNXCESA-N 2 2 263.389 0.820 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCc1ncn(C)n1 ZINC000647327016 390813357 /nfs/dbraw/zinc/81/33/57/390813357.db2.gz RRPAYXFWADOEDO-YPMHNXCESA-N 2 2 263.389 0.820 20 0 CCADLP CC[N@H+]1CCN(C(=O)Cn2c[nH+]cc2C)[C@@H](C)C1 ZINC000529362163 390818660 /nfs/dbraw/zinc/81/86/60/390818660.db2.gz OWFDBMANSSBWMY-LBPRGKRZSA-N 2 2 250.346 0.744 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000647460548 390821090 /nfs/dbraw/zinc/82/10/90/390821090.db2.gz PVQAPRPQHHVWNI-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000647460548 390821093 /nfs/dbraw/zinc/82/10/93/390821093.db2.gz PVQAPRPQHHVWNI-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP CC[NH+]1CCC(NC[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000574911849 390823473 /nfs/dbraw/zinc/82/34/73/390823473.db2.gz GMJAFBLLJLGORQ-FMKPAKJESA-N 2 2 299.459 0.530 20 0 CCADLP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000647518143 390829914 /nfs/dbraw/zinc/82/99/14/390829914.db2.gz HSBONHPCZSNIII-RDBSUJKOSA-N 2 2 254.374 0.866 20 0 CCADLP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000647518143 390829917 /nfs/dbraw/zinc/82/99/17/390829917.db2.gz HSBONHPCZSNIII-RDBSUJKOSA-N 2 2 254.374 0.866 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000529438703 390831369 /nfs/dbraw/zinc/83/13/69/390831369.db2.gz HTJAIQOBQLUBHU-AWEZNQCLSA-N 2 2 292.383 0.515 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]([NH2+]CCN2CCOC(C)(C)C2)C1 ZINC000647550387 390840035 /nfs/dbraw/zinc/84/00/35/390840035.db2.gz OHAWYXUIURIHCK-QWHCGFSZSA-N 2 2 255.406 0.685 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H](NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000647550387 390840037 /nfs/dbraw/zinc/84/00/37/390840037.db2.gz OHAWYXUIURIHCK-QWHCGFSZSA-N 2 2 255.406 0.685 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H](NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000647550387 390840038 /nfs/dbraw/zinc/84/00/38/390840038.db2.gz OHAWYXUIURIHCK-QWHCGFSZSA-N 2 2 255.406 0.685 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)Cn1cc[nH+]c1 ZINC000577808000 390845870 /nfs/dbraw/zinc/84/58/70/390845870.db2.gz PGGZCYFGFIMNBD-RDBSUJKOSA-N 2 2 292.383 0.593 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)C[C@H](O)Cc1ccccc1 ZINC000578375887 390880506 /nfs/dbraw/zinc/88/05/06/390880506.db2.gz JSDZIFKIRWTTCA-CVEARBPZSA-N 2 2 280.412 0.834 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@H](O)Cc1ccccc1 ZINC000578375887 390880510 /nfs/dbraw/zinc/88/05/10/390880510.db2.gz JSDZIFKIRWTTCA-CVEARBPZSA-N 2 2 280.412 0.834 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000578375887 390880513 /nfs/dbraw/zinc/88/05/13/390880513.db2.gz JSDZIFKIRWTTCA-CVEARBPZSA-N 2 2 280.412 0.834 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000578375887 390880515 /nfs/dbraw/zinc/88/05/15/390880515.db2.gz JSDZIFKIRWTTCA-CVEARBPZSA-N 2 2 280.412 0.834 20 0 CCADLP CCNC(=O)N1CC[C@H]([NH2+]Cc2c[nH+]c(C)n2C)C1 ZINC000577888141 390852172 /nfs/dbraw/zinc/85/21/72/390852172.db2.gz IRJQZGXQINVYAW-NSHDSACASA-N 2 2 265.361 0.622 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H](CO)Cc1ccco1 ZINC000532648302 390883230 /nfs/dbraw/zinc/88/32/30/390883230.db2.gz HZXDLBQQSVTYQR-MBNYWOFBSA-N 2 2 252.358 0.970 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H](CO)Cc1ccco1 ZINC000532648302 390883231 /nfs/dbraw/zinc/88/32/31/390883231.db2.gz HZXDLBQQSVTYQR-MBNYWOFBSA-N 2 2 252.358 0.970 20 0 CCADLP Cc1ccc(C2CC[NH+]([C@@H]3CC(=O)NC3=O)CC2)c[nH+]1 ZINC000578451165 390884636 /nfs/dbraw/zinc/88/46/36/390884636.db2.gz XLRDRSCPLBAPMY-CYBMUJFWSA-N 2 2 273.336 0.985 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000578638877 390896127 /nfs/dbraw/zinc/89/61/27/390896127.db2.gz LJGJLJKTNTWBNY-MNOVXSKESA-N 2 2 284.360 0.267 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000578638877 390896129 /nfs/dbraw/zinc/89/61/29/390896129.db2.gz LJGJLJKTNTWBNY-MNOVXSKESA-N 2 2 284.360 0.267 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000578638877 390896130 /nfs/dbraw/zinc/89/61/30/390896130.db2.gz LJGJLJKTNTWBNY-MNOVXSKESA-N 2 2 284.360 0.267 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000578638877 390896132 /nfs/dbraw/zinc/89/61/32/390896132.db2.gz LJGJLJKTNTWBNY-MNOVXSKESA-N 2 2 284.360 0.267 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000578638877 390896134 /nfs/dbraw/zinc/89/61/34/390896134.db2.gz LJGJLJKTNTWBNY-MNOVXSKESA-N 2 2 284.360 0.267 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000578638877 390896135 /nfs/dbraw/zinc/89/61/35/390896135.db2.gz LJGJLJKTNTWBNY-MNOVXSKESA-N 2 2 284.360 0.267 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000578638877 390896136 /nfs/dbraw/zinc/89/61/36/390896136.db2.gz LJGJLJKTNTWBNY-MNOVXSKESA-N 2 2 284.360 0.267 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000578638877 390896138 /nfs/dbraw/zinc/89/61/38/390896138.db2.gz LJGJLJKTNTWBNY-MNOVXSKESA-N 2 2 284.360 0.267 20 0 CCADLP COc1cccc(/C=C/C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000493643700 533384461 /nfs/dbraw/zinc/38/44/61/533384461.db2.gz CGCKOPVZBMBEIM-PSKZRQQASA-N 2 2 289.379 0.810 20 0 CCADLP COc1cccc(/C=C/C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000493643700 533384468 /nfs/dbraw/zinc/38/44/68/533384468.db2.gz CGCKOPVZBMBEIM-PSKZRQQASA-N 2 2 289.379 0.810 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccncc3)C[C@@H]21 ZINC000342077309 130240111 /nfs/dbraw/zinc/24/01/11/130240111.db2.gz BEAZJYMEYWNHQZ-KWCYVHTRSA-N 2 2 274.368 0.501 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccncc3)C[C@@H]21 ZINC000342077309 130240113 /nfs/dbraw/zinc/24/01/13/130240113.db2.gz BEAZJYMEYWNHQZ-KWCYVHTRSA-N 2 2 274.368 0.501 20 0 CCADLP Cc1cccn2c(=O)cc(C[NH2+]CC3([NH3+])CCC3)nc12 ZINC000342179424 130314907 /nfs/dbraw/zinc/31/49/07/130314907.db2.gz YJOASNXFJKTHAR-UHFFFAOYSA-N 2 2 272.352 0.974 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000237215085 131014491 /nfs/dbraw/zinc/01/44/91/131014491.db2.gz HNZRMUBRFCPONK-GFCCVEGCSA-N 2 2 292.383 0.390 20 0 CCADLP C[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000237322686 131023719 /nfs/dbraw/zinc/02/37/19/131023719.db2.gz NJRJRPCVWREFMH-LLVKDONJSA-N 2 2 290.367 0.360 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)[C@H]3COCC[NH2+]3)cn21 ZINC000237768333 131055915 /nfs/dbraw/zinc/05/59/15/131055915.db2.gz VFHLTROITMTWLJ-GFCCVEGCSA-N 2 2 274.324 0.247 20 0 CCADLP [NH3+]C1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000237926847 131066340 /nfs/dbraw/zinc/06/63/40/131066340.db2.gz CCQKGGKFAUENNM-AWEZNQCLSA-N 2 2 289.379 0.495 20 0 CCADLP [NH3+]C1(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000237926847 131066341 /nfs/dbraw/zinc/06/63/41/131066341.db2.gz CCQKGGKFAUENNM-AWEZNQCLSA-N 2 2 289.379 0.495 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1COCC[NH2+]1 ZINC000250652680 131126000 /nfs/dbraw/zinc/12/60/00/131126000.db2.gz RSPQGHYQSFFJGV-HUUCEWRRSA-N 2 2 289.379 0.366 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1COCC[NH2+]1 ZINC000250652680 131126001 /nfs/dbraw/zinc/12/60/01/131126001.db2.gz RSPQGHYQSFFJGV-HUUCEWRRSA-N 2 2 289.379 0.366 20 0 CCADLP C[NH2+]CCCC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000262665424 131248967 /nfs/dbraw/zinc/24/89/67/131248967.db2.gz JMQBJQWELSFSNF-UHFFFAOYSA-N 2 2 292.383 0.534 20 0 CCADLP COCC[N@H+](C)CCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000263820638 131339660 /nfs/dbraw/zinc/33/96/60/131339660.db2.gz ZXRPVQYCNYFRAN-GFCCVEGCSA-N 2 2 283.376 0.149 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000263820638 131339662 /nfs/dbraw/zinc/33/96/62/131339662.db2.gz ZXRPVQYCNYFRAN-GFCCVEGCSA-N 2 2 283.376 0.149 20 0 CCADLP CC1CC[NH+](CC(=O)NCc2[nH+]ccn2C)CC1 ZINC000268664253 132044630 /nfs/dbraw/zinc/04/46/30/132044630.db2.gz VMCGRNOKQCZBCI-UHFFFAOYSA-N 2 2 250.346 0.768 20 0 CCADLP Cn1ccc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000268688369 132048919 /nfs/dbraw/zinc/04/89/19/132048919.db2.gz QPZPCLFFAKEQMR-UHFFFAOYSA-N 2 2 278.400 0.781 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@@H]2CCCC[NH2+]2)c[nH+]1 ZINC000269225651 132136647 /nfs/dbraw/zinc/13/66/47/132136647.db2.gz DAPLAUJXWFZINA-LBPRGKRZSA-N 2 2 262.357 0.906 20 0 CCADLP O=C(NCc1cn2c([nH+]1)CCCC2)[C@H]1CCCC[NH2+]1 ZINC000269231816 132138002 /nfs/dbraw/zinc/13/80/02/132138002.db2.gz DGLANNUTICUPNZ-GFCCVEGCSA-N 2 2 262.357 0.978 20 0 CCADLP O=C(C[NH2+]C[C@@H]1CCCO1)NCc1ccn2cc[nH+]c2c1 ZINC000269244448 132141150 /nfs/dbraw/zinc/14/11/50/132141150.db2.gz CUDUGPCOHNPBJX-ZDUSSCGKSA-N 2 2 288.351 0.719 20 0 CCADLP c1n[nH]cc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657751486 413057937 /nfs/dbraw/zinc/05/79/37/413057937.db2.gz REGYPDCMLXGFRU-CYBMUJFWSA-N 2 2 250.346 0.753 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cn1cncn1 ZINC000657867273 413068282 /nfs/dbraw/zinc/06/82/82/413068282.db2.gz FFHGSLAAQLEPEG-STQMWFEESA-N 2 2 267.377 0.367 20 0 CCADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cn1cncn1 ZINC000657867273 413068285 /nfs/dbraw/zinc/06/82/85/413068285.db2.gz FFHGSLAAQLEPEG-STQMWFEESA-N 2 2 267.377 0.367 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657880348 413071893 /nfs/dbraw/zinc/07/18/93/413071893.db2.gz WOLXXHZTQDXVDX-QWHCGFSZSA-N 2 2 253.390 0.533 20 0 CCADLP CC1(C)CN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)CC[NH2+]1 ZINC000530877302 285660024 /nfs/dbraw/zinc/66/00/24/285660024.db2.gz RMDWAMDEEIOBKR-UHFFFAOYSA-N 2 2 286.339 0.486 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000658148480 413105195 /nfs/dbraw/zinc/10/51/95/413105195.db2.gz NATBMSFAFZSRAU-YUELXQCFSA-N 2 2 284.400 0.227 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000658148480 413105199 /nfs/dbraw/zinc/10/51/99/413105199.db2.gz NATBMSFAFZSRAU-YUELXQCFSA-N 2 2 284.400 0.227 20 0 CCADLP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NCC1CC1 ZINC000037917652 397390552 /nfs/dbraw/zinc/39/05/52/397390552.db2.gz LLDLWPPVMGINIF-UONOGXRCSA-N 2 2 265.401 0.977 20 0 CCADLP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NCC1CC1 ZINC000037917652 397390556 /nfs/dbraw/zinc/39/05/56/397390556.db2.gz LLDLWPPVMGINIF-UONOGXRCSA-N 2 2 265.401 0.977 20 0 CCADLP C[C@H](NC(=O)N1CCC[N@H+](C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000356555589 144013686 /nfs/dbraw/zinc/01/36/86/144013686.db2.gz WUGVKGNNWBAWLN-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H](NC(=O)N1CCC[N@@H+](C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000356555589 144013687 /nfs/dbraw/zinc/01/36/87/144013687.db2.gz WUGVKGNNWBAWLN-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C)[NH+]1CCSCC1 ZINC000356834360 144036468 /nfs/dbraw/zinc/03/64/68/144036468.db2.gz AUNFKPKZMNDQRC-AGIUHOORSA-N 2 2 285.457 0.975 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C)[NH+]1CCSCC1 ZINC000356834360 144036470 /nfs/dbraw/zinc/03/64/70/144036470.db2.gz AUNFKPKZMNDQRC-AGIUHOORSA-N 2 2 285.457 0.975 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)C2(O)CCC2)CC1 ZINC000356937079 144045033 /nfs/dbraw/zinc/04/50/33/144045033.db2.gz PUTYAVVIGMEACV-UHFFFAOYSA-N 2 2 269.389 0.044 20 0 CCADLP C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)[NH+]1CCOCC1 ZINC000357299796 144080318 /nfs/dbraw/zinc/08/03/18/144080318.db2.gz OJMYHRDENYCLSI-RDBSUJKOSA-N 2 2 283.416 0.506 20 0 CCADLP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1CCOCC1 ZINC000357299796 144080319 /nfs/dbraw/zinc/08/03/19/144080319.db2.gz OJMYHRDENYCLSI-RDBSUJKOSA-N 2 2 283.416 0.506 20 0 CCADLP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000357904972 144131845 /nfs/dbraw/zinc/13/18/45/144131845.db2.gz BRALLAAQBCYJKM-QWRGUYRKSA-N 2 2 294.742 0.327 20 0 CCADLP Cc1nc(C)c(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)s1 ZINC000358112878 144153200 /nfs/dbraw/zinc/15/32/00/144153200.db2.gz CLMMHILZBGRXFU-LBPRGKRZSA-N 2 2 255.387 0.916 20 0 CCADLP Cc1nc(C)c(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)s1 ZINC000358112878 144153202 /nfs/dbraw/zinc/15/32/02/144153202.db2.gz CLMMHILZBGRXFU-LBPRGKRZSA-N 2 2 255.387 0.916 20 0 CCADLP C[NH+](C)CCOc1cc(C(=O)NCc2[nH]cc[nH+]2)ccn1 ZINC000358525904 144158448 /nfs/dbraw/zinc/15/84/48/144158448.db2.gz HAKVNQBLRPXOCC-UHFFFAOYSA-N 2 2 289.339 0.675 20 0 CCADLP C[C@@H]1C[C@H](C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC[NH2+]1 ZINC000358698670 144173745 /nfs/dbraw/zinc/17/37/45/144173745.db2.gz VBUQSPQXTWBZEI-FRRDWIJNSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1C[C@H](C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC[NH2+]1 ZINC000358698670 144173746 /nfs/dbraw/zinc/17/37/46/144173746.db2.gz VBUQSPQXTWBZEI-FRRDWIJNSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CC2(S(C)(=O)=O)CC2)CC[N@@H+]1C ZINC000359024110 144190737 /nfs/dbraw/zinc/19/07/37/144190737.db2.gz AFKULWNTQINJBA-QWRGUYRKSA-N 2 2 260.403 0.636 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CC2(S(C)(=O)=O)CC2)CC[N@H+]1C ZINC000359024110 144190738 /nfs/dbraw/zinc/19/07/38/144190738.db2.gz AFKULWNTQINJBA-QWRGUYRKSA-N 2 2 260.403 0.636 20 0 CCADLP COc1ccc(CNC(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000359267574 144208163 /nfs/dbraw/zinc/20/81/63/144208163.db2.gz ADYQQKZWAGIFIX-OKILXGFUSA-N 2 2 289.379 0.463 20 0 CCADLP COc1ccc(CNC(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000359267574 144208165 /nfs/dbraw/zinc/20/81/65/144208165.db2.gz ADYQQKZWAGIFIX-OKILXGFUSA-N 2 2 289.379 0.463 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000368351684 144219696 /nfs/dbraw/zinc/21/96/96/144219696.db2.gz JPTURKXEGWAQSE-HOCLYGCPSA-N 2 2 297.443 0.945 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000368351684 144219697 /nfs/dbraw/zinc/21/96/97/144219697.db2.gz JPTURKXEGWAQSE-HOCLYGCPSA-N 2 2 297.443 0.945 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000368351684 144219699 /nfs/dbraw/zinc/21/96/99/144219699.db2.gz JPTURKXEGWAQSE-HOCLYGCPSA-N 2 2 297.443 0.945 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000368351684 144219701 /nfs/dbraw/zinc/21/97/01/144219701.db2.gz JPTURKXEGWAQSE-HOCLYGCPSA-N 2 2 297.443 0.945 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]CCCCn1cc[nH+]c1)C1CC1 ZINC000389045716 397509284 /nfs/dbraw/zinc/50/92/84/397509284.db2.gz OMQBSCIYGDYUIX-AWEZNQCLSA-N 3 2 266.389 0.708 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]CCCCn1cc[nH+]c1)C1CC1 ZINC000389045716 397509286 /nfs/dbraw/zinc/50/92/86/397509286.db2.gz OMQBSCIYGDYUIX-AWEZNQCLSA-N 3 2 266.389 0.708 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@]1(CCOC)CCOC1 ZINC000571937343 397579969 /nfs/dbraw/zinc/57/99/69/397579969.db2.gz SRMAIDZHEBVWGJ-CHWSQXEVSA-N 2 2 260.378 0.084 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@]1(CCOC)CCOC1 ZINC000571937343 397579973 /nfs/dbraw/zinc/57/99/73/397579973.db2.gz SRMAIDZHEBVWGJ-CHWSQXEVSA-N 2 2 260.378 0.084 20 0 CCADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2nnnn2C2CC2)C[C@H]1C[NH3+] ZINC000397440665 397522108 /nfs/dbraw/zinc/52/21/08/397522108.db2.gz FLTOAIMHDUYLAV-GMTAPVOTSA-N 2 2 264.377 0.813 20 0 CCADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nnnn2C2CC2)C[C@H]1C[NH3+] ZINC000397440665 397522112 /nfs/dbraw/zinc/52/21/12/397522112.db2.gz FLTOAIMHDUYLAV-GMTAPVOTSA-N 2 2 264.377 0.813 20 0 CCADLP COc1ccc(CNC(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000430962822 397531415 /nfs/dbraw/zinc/53/14/15/397531415.db2.gz IBAOSLPGVXQYKN-SWLSCSKDSA-N 2 2 291.395 0.981 20 0 CCADLP COc1ccc(CNC(=O)C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000430962822 397531422 /nfs/dbraw/zinc/53/14/22/397531422.db2.gz IBAOSLPGVXQYKN-SWLSCSKDSA-N 2 2 291.395 0.981 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C[C@H]1CCC[N@@H+]1C ZINC000649610355 397646553 /nfs/dbraw/zinc/64/65/53/397646553.db2.gz PDUIWVSESVSXRM-KFWWJZLASA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C[C@H]1CCC[N@H+]1C ZINC000649610355 397646555 /nfs/dbraw/zinc/64/65/55/397646555.db2.gz PDUIWVSESVSXRM-KFWWJZLASA-N 2 2 267.417 0.876 20 0 CCADLP CC[C@H](C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1)OC ZINC000649684732 397655032 /nfs/dbraw/zinc/65/50/32/397655032.db2.gz ACHJHCWGBQSHPQ-GFCCVEGCSA-N 2 2 257.378 0.117 20 0 CCADLP CC[C@H](C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1)OC ZINC000649684732 397655034 /nfs/dbraw/zinc/65/50/34/397655034.db2.gz ACHJHCWGBQSHPQ-GFCCVEGCSA-N 2 2 257.378 0.117 20 0 CCADLP CCN(CC)C(=O)C[NH+]1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000649411457 397605894 /nfs/dbraw/zinc/60/58/94/397605894.db2.gz ZWJOGTVMWMPVFR-CQSZACIVSA-N 2 2 282.432 0.082 20 0 CCADLP CCN(CC)C(=O)CN1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000649411457 397605896 /nfs/dbraw/zinc/60/58/96/397605896.db2.gz ZWJOGTVMWMPVFR-CQSZACIVSA-N 2 2 282.432 0.082 20 0 CCADLP c1nc(CN2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)cs1 ZINC000649411937 397607142 /nfs/dbraw/zinc/60/71/42/397607142.db2.gz XASKDPLKPXSYSN-GFCCVEGCSA-N 2 2 266.414 0.870 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+]2CCC3(CC3(F)F)CC2)CC1 ZINC000649776458 397667601 /nfs/dbraw/zinc/66/76/01/397667601.db2.gz OGOOTLNPOZNVFU-UHFFFAOYSA-N 2 2 287.354 0.882 20 0 CCADLP C(CC1CC[NH2+]CC1)[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000650761494 397754464 /nfs/dbraw/zinc/75/44/64/397754464.db2.gz AKXBNLRRJFZTKR-CABCVRRESA-N 3 2 267.417 0.733 20 0 CCADLP C[NH+]1CCC(CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000548000239 285995823 /nfs/dbraw/zinc/99/58/23/285995823.db2.gz HJBATTRRXNZTMU-CYBMUJFWSA-N 2 2 291.399 0.839 20 0 CCADLP Cc1cc(NC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c(C)c[nH+]1 ZINC000548322170 286026813 /nfs/dbraw/zinc/02/68/13/286026813.db2.gz FJFOBLMIMQRNFW-ZDUSSCGKSA-N 2 2 292.383 0.651 20 0 CCADLP Cc1cc(NC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c(C)c[nH+]1 ZINC000548322170 286026814 /nfs/dbraw/zinc/02/68/14/286026814.db2.gz FJFOBLMIMQRNFW-ZDUSSCGKSA-N 2 2 292.383 0.651 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2[C@@H](C)C[C@@H]2C)C1 ZINC000548426366 286035507 /nfs/dbraw/zinc/03/55/07/286035507.db2.gz WOIOYKZYAXSGPC-SOUVJXGZSA-N 2 2 297.443 0.942 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2[C@@H](C)C[C@@H]2C)C1 ZINC000548426366 286035508 /nfs/dbraw/zinc/03/55/08/286035508.db2.gz WOIOYKZYAXSGPC-SOUVJXGZSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)c2ccc3c[nH+]cn3c2)CCO1 ZINC000550563543 286110164 /nfs/dbraw/zinc/11/01/64/286110164.db2.gz VEURWJBUONUVTI-GFCCVEGCSA-N 2 2 288.351 0.785 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)c2ccc3c[nH+]cn3c2)CCO1 ZINC000550563543 286110168 /nfs/dbraw/zinc/11/01/68/286110168.db2.gz VEURWJBUONUVTI-GFCCVEGCSA-N 2 2 288.351 0.785 20 0 CCADLP [NH3+]C[C@@H]1CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000659079883 413277166 /nfs/dbraw/zinc/27/71/66/413277166.db2.gz YKDATAYFEIIWBZ-JTQLQIEISA-N 2 2 287.323 0.080 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000427288105 297126535 /nfs/dbraw/zinc/12/65/35/297126535.db2.gz NWWHARHVZCHMEB-ZIAGYGMSSA-N 2 2 283.416 0.603 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000427288105 297126536 /nfs/dbraw/zinc/12/65/36/297126536.db2.gz NWWHARHVZCHMEB-ZIAGYGMSSA-N 2 2 283.416 0.603 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(Cc2c[nH+]c(N(C)C)n2C)[C@H](C)C1 ZINC000362279882 287095586 /nfs/dbraw/zinc/09/55/86/287095586.db2.gz SEKAETIPRRFOEX-CHWSQXEVSA-N 2 2 295.431 0.373 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(Cc2c[nH+]c(N(C)C)n2C)[C@H](C)C1 ZINC000362279882 287095591 /nfs/dbraw/zinc/09/55/91/287095591.db2.gz SEKAETIPRRFOEX-CHWSQXEVSA-N 2 2 295.431 0.373 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[NH+](C(C)C)CC2)CC1 ZINC000045777203 411640802 /nfs/dbraw/zinc/64/08/02/411640802.db2.gz QFPJVANZLPKBKZ-HNNXBMFYSA-N 2 2 296.459 0.565 20 0 CCADLP C[N@H+](CCC[NH3+])Cc1cc(=O)n2ccsc2n1 ZINC000123316219 411710699 /nfs/dbraw/zinc/71/06/99/411710699.db2.gz CSQQPSPRSOYILF-UHFFFAOYSA-N 2 2 252.343 0.537 20 0 CCADLP C[N@@H+](CCC[NH3+])Cc1cc(=O)n2ccsc2n1 ZINC000123316219 411710704 /nfs/dbraw/zinc/71/07/04/411710704.db2.gz CSQQPSPRSOYILF-UHFFFAOYSA-N 2 2 252.343 0.537 20 0 CCADLP C[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)C[NH+]1CCCC1 ZINC000062071581 411687299 /nfs/dbraw/zinc/68/72/99/411687299.db2.gz VFEAYGFRGHONKY-GJZGRUSLSA-N 3 2 269.433 0.765 20 0 CCADLP Cc1cccc(NC(=O)C[N@H+](C)CCN2CC[NH2+]CC2)c1 ZINC000071150244 411695471 /nfs/dbraw/zinc/69/54/71/411695471.db2.gz IFPVVKGGVFIUMV-UHFFFAOYSA-N 2 2 290.411 0.771 20 0 CCADLP Cc1cccc(NC(=O)C[N@@H+](C)CCN2CC[NH2+]CC2)c1 ZINC000071150244 411695474 /nfs/dbraw/zinc/69/54/74/411695474.db2.gz IFPVVKGGVFIUMV-UHFFFAOYSA-N 2 2 290.411 0.771 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)no1 ZINC000312680050 411753740 /nfs/dbraw/zinc/75/37/40/411753740.db2.gz KTEFOTLBLKFBLY-FZMZJTMJSA-N 2 2 278.356 0.982 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)no1 ZINC000312680050 411753744 /nfs/dbraw/zinc/75/37/44/411753744.db2.gz KTEFOTLBLKFBLY-FZMZJTMJSA-N 2 2 278.356 0.982 20 0 CCADLP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC2CCCC2)C[C@H]1C[NH3+] ZINC000405229494 411800445 /nfs/dbraw/zinc/80/04/45/411800445.db2.gz VHZUNLSZBBVAQI-YRGRVCCFSA-N 2 2 283.416 0.729 20 0 CCADLP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)NC2CCCC2)C[C@H]1C[NH3+] ZINC000405229494 411800448 /nfs/dbraw/zinc/80/04/48/411800448.db2.gz VHZUNLSZBBVAQI-YRGRVCCFSA-N 2 2 283.416 0.729 20 0 CCADLP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1C[NH3+] ZINC000405527646 411803116 /nfs/dbraw/zinc/80/31/16/411803116.db2.gz LHXMVIWVLOEYJG-IJLUTSLNSA-N 2 2 271.405 0.585 20 0 CCADLP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)NC(C)(C)C)C[C@H]1C[NH3+] ZINC000405527646 411803121 /nfs/dbraw/zinc/80/31/21/411803121.db2.gz LHXMVIWVLOEYJG-IJLUTSLNSA-N 2 2 271.405 0.585 20 0 CCADLP Cc1nc(N2CCN(CC[NH+](C)C)C(=O)C2)c(C)c(C)[nH+]1 ZINC000651383125 411858322 /nfs/dbraw/zinc/85/83/22/411858322.db2.gz KTIYDXAGQGSIMR-UHFFFAOYSA-N 2 2 291.399 0.612 20 0 CCADLP Cc1nc(N2CC([N@H+]3CC[C@@H](O)C3)C2)c2c([nH+]1)CCCC2 ZINC000651452612 411877663 /nfs/dbraw/zinc/87/76/63/411877663.db2.gz RMASRTNXGCBJJW-CYBMUJFWSA-N 2 2 288.395 0.919 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(c2cccs2)CC1 ZINC000652339506 412031378 /nfs/dbraw/zinc/03/13/78/412031378.db2.gz YNVYYPBGTPOSTL-CYBMUJFWSA-N 2 2 269.414 0.841 20 0 CCADLP C[C@@H](NC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000652464025 412057426 /nfs/dbraw/zinc/05/74/26/412057426.db2.gz GTVUFHDVCLVUES-XJFOESAGSA-N 2 2 298.431 0.440 20 0 CCADLP C[C@@H](NC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000652464025 412057428 /nfs/dbraw/zinc/05/74/28/412057428.db2.gz GTVUFHDVCLVUES-XJFOESAGSA-N 2 2 298.431 0.440 20 0 CCADLP C[C@@H](NC(=O)N1C[C@@H](C)[NH+](C)[C@@H](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000652464025 412057431 /nfs/dbraw/zinc/05/74/31/412057431.db2.gz GTVUFHDVCLVUES-XJFOESAGSA-N 2 2 298.431 0.440 20 0 CCADLP C[C@@H](NC(=O)N1C[C@@H](C)[NH+](C)[C@@H](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000652464025 412057432 /nfs/dbraw/zinc/05/74/32/412057432.db2.gz GTVUFHDVCLVUES-XJFOESAGSA-N 2 2 298.431 0.440 20 0 CCADLP CN1C[C@@H]2[C@@H](CCC[N@@H+]2CCCn2cc[nH+]c2)C1=O ZINC000284724500 196118676 /nfs/dbraw/zinc/11/86/76/196118676.db2.gz BWLGAHLDZRELIK-CHWSQXEVSA-N 2 2 262.357 0.826 20 0 CCADLP CN1C[C@@H]2[C@@H](CCC[N@H+]2CCCn2cc[nH+]c2)C1=O ZINC000284724500 196118677 /nfs/dbraw/zinc/11/86/77/196118677.db2.gz BWLGAHLDZRELIK-CHWSQXEVSA-N 2 2 262.357 0.826 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)CCN2 ZINC000653046560 412199895 /nfs/dbraw/zinc/19/98/95/412199895.db2.gz FDWSPAPWNNJIJQ-LBPRGKRZSA-N 2 2 262.357 0.872 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)NCC[C@H]1CC[NH2+]C1 ZINC000653049336 412200912 /nfs/dbraw/zinc/20/09/12/412200912.db2.gz DQCZCPLRFJLHBA-GFCCVEGCSA-N 2 2 276.384 0.878 20 0 CCADLP COc1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c(OC)c1 ZINC000653057083 412203259 /nfs/dbraw/zinc/20/32/59/412203259.db2.gz NRWDVHFSYBRNQF-LLVKDONJSA-N 2 2 281.356 0.921 20 0 CCADLP COc1ccc(OCCNC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653061958 412205451 /nfs/dbraw/zinc/20/54/51/412205451.db2.gz GXGPWZVWBVFYRA-CQSZACIVSA-N 2 2 295.383 0.469 20 0 CCADLP CC[C@@H]1CO[C@H](C)CN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653058666 412206060 /nfs/dbraw/zinc/20/60/60/412206060.db2.gz BALJXZXRQRBVSA-IJLUTSLNSA-N 2 2 257.378 0.291 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000653063976 412206893 /nfs/dbraw/zinc/20/68/93/412206893.db2.gz AFELUURKXBWJCL-CABCVRRESA-N 2 2 291.395 0.866 20 0 CCADLP CCOc1ccccc1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653065225 412207571 /nfs/dbraw/zinc/20/75/71/412207571.db2.gz ZIHCBRQURBAJNR-ZDUSSCGKSA-N 2 2 279.384 0.981 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(CCO)cc1 ZINC000653065045 412207667 /nfs/dbraw/zinc/20/76/67/412207667.db2.gz QQLFNKSEBOZIDO-ZDUSSCGKSA-N 2 2 265.357 0.439 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCc1c(F)cccc1F ZINC000653069152 412208393 /nfs/dbraw/zinc/20/83/93/412208393.db2.gz DQODTKSTSPRFQT-CYBMUJFWSA-N 2 2 285.338 0.903 20 0 CCADLP C[C@@H]1CCCC[C@H]1OCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653070220 412208447 /nfs/dbraw/zinc/20/84/47/412208447.db2.gz OICAFSBNNQXZKL-HZSPNIEDSA-N 2 2 285.432 0.977 20 0 CCADLP C[C@@H](COc1cccc(F)c1)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653076361 412209553 /nfs/dbraw/zinc/20/95/53/412209553.db2.gz SJSKLTMPQDUJFJ-FZMZJTMJSA-N 2 2 297.374 0.988 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCOC1CCCCC1 ZINC000653077383 412210127 /nfs/dbraw/zinc/21/01/27/412210127.db2.gz ZRAPUKXWPXIHPV-CYBMUJFWSA-N 2 2 271.405 0.731 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@H]1CCOc2ccccc21 ZINC000653081967 412211607 /nfs/dbraw/zinc/21/16/07/412211607.db2.gz DYHVBQCMRCCDMP-TZMCWYRMSA-N 2 2 291.395 0.948 20 0 CCADLP COCc1cc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)ccc1F ZINC000653086894 412212820 /nfs/dbraw/zinc/21/28/20/412212820.db2.gz FIEPYYAMQKVUOG-AWEZNQCLSA-N 2 2 297.374 0.867 20 0 CCADLP CO[C@H](C)CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C(C)C ZINC000653094996 412215586 /nfs/dbraw/zinc/21/55/86/412215586.db2.gz XNODXLUCUIXWRV-VXGBXAGGSA-N 2 2 259.394 0.537 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@H](O)CC(C)(C)C ZINC000653092681 412215790 /nfs/dbraw/zinc/21/57/90/412215790.db2.gz IFRYIYOCPPQEAA-GHMZBOCLSA-N 2 2 259.394 0.179 20 0 CCADLP CCO[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C12CCC2 ZINC000653096238 412217567 /nfs/dbraw/zinc/21/75/67/412217567.db2.gz GSRVFGGZLYJVRB-YNEHKIRRSA-N 2 2 283.416 0.729 20 0 CCADLP C[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1nc(C(C)(C)C)no1 ZINC000653101826 412218697 /nfs/dbraw/zinc/21/86/97/412218697.db2.gz HMOLYAKCEMPSJI-UWVGGRQHSA-N 2 2 297.403 0.823 20 0 CCADLP CC(C)C[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)[NH+](C)C ZINC000653108125 412221960 /nfs/dbraw/zinc/22/19/60/412221960.db2.gz JPWGBIAYLYZLEF-STQMWFEESA-N 3 2 272.437 0.358 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(-n2cccn2)nc1 ZINC000653107898 412222662 /nfs/dbraw/zinc/22/26/62/412222662.db2.gz ASHHCBAVEBERFB-LBPRGKRZSA-N 2 2 288.355 0.485 20 0 CCADLP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653111771 412223362 /nfs/dbraw/zinc/22/33/62/412223362.db2.gz AJNCTMXSYOBBGG-NEPJUHHUSA-N 3 2 258.410 0.112 20 0 CCADLP CC1CC[NH+](CCCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653110754 412223543 /nfs/dbraw/zinc/22/35/43/412223543.db2.gz SRPBBAUNYRFRJQ-HNNXBMFYSA-N 3 2 298.475 0.894 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000653112453 412223551 /nfs/dbraw/zinc/22/35/51/412223551.db2.gz ZDGXMGQUHYCXRY-GJZGRUSLSA-N 3 2 296.459 0.742 20 0 CCADLP C[C@@H]1CCC[C@@](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)([NH+](C)C)C1 ZINC000653111975 412224073 /nfs/dbraw/zinc/22/40/73/412224073.db2.gz HWIWZCAXXIRLEO-IIAWOOMASA-N 3 2 298.475 0.892 20 0 CCADLP CC(C)Cn1ccnc1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653122184 412231928 /nfs/dbraw/zinc/23/19/28/412231928.db2.gz PNXUMVFCQWCMFD-LBPRGKRZSA-N 2 2 281.404 0.434 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[N@H+](C)CC12CCCCC2 ZINC000653123992 412233030 /nfs/dbraw/zinc/23/30/30/412233030.db2.gz NKSCGNUANOUNDJ-AWEZNQCLSA-N 3 2 296.459 0.742 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[N@@H+](C)CC12CCCCC2 ZINC000653123992 412233031 /nfs/dbraw/zinc/23/30/31/412233031.db2.gz NKSCGNUANOUNDJ-AWEZNQCLSA-N 3 2 296.459 0.742 20 0 CCADLP CCOC[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C(C)C ZINC000653151311 412243198 /nfs/dbraw/zinc/24/31/98/412243198.db2.gz CNCRMDWKJNWFHA-NEPJUHHUSA-N 2 2 259.394 0.443 20 0 CCADLP Cc1[nH+]ccn1CCCN(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653155397 412244976 /nfs/dbraw/zinc/24/49/76/412244976.db2.gz RREJBNLNSTUWND-ZDUSSCGKSA-N 3 2 281.404 0.319 20 0 CCADLP CO[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC[C@@H]1C ZINC000653152548 412244995 /nfs/dbraw/zinc/24/49/95/412244995.db2.gz QFDPIYGDAVEPHZ-SDDRHHMPSA-N 2 2 257.378 0.149 20 0 CCADLP COc1cccc2c1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C2 ZINC000653151901 412245256 /nfs/dbraw/zinc/24/52/56/412245256.db2.gz XATYZIRKOYGLHC-CQSZACIVSA-N 2 2 291.395 0.859 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1C[C@H]1C1CCC1 ZINC000653165928 412249544 /nfs/dbraw/zinc/24/95/44/412249544.db2.gz MIJHOJBGVCBFEM-RWMBFGLXSA-N 2 2 253.390 0.818 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C1CC1 ZINC000653543515 412313623 /nfs/dbraw/zinc/31/36/23/412313623.db2.gz QKDFWRLIHWHPSC-UONOGXRCSA-N 2 2 256.390 0.800 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C1CC1 ZINC000653543515 412313625 /nfs/dbraw/zinc/31/36/25/412313625.db2.gz QKDFWRLIHWHPSC-UONOGXRCSA-N 2 2 256.390 0.800 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000653543515 412313626 /nfs/dbraw/zinc/31/36/26/412313626.db2.gz QKDFWRLIHWHPSC-UONOGXRCSA-N 2 2 256.390 0.800 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1C1CC1 ZINC000653543515 412313628 /nfs/dbraw/zinc/31/36/28/412313628.db2.gz QKDFWRLIHWHPSC-UONOGXRCSA-N 2 2 256.390 0.800 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]([NH+](C)C)CC1 ZINC000653642834 412328869 /nfs/dbraw/zinc/32/88/69/412328869.db2.gz YHKNPXAZJCIIRY-LSDHHAIUSA-N 3 2 287.448 0.342 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]([NH+](C)C)CC1 ZINC000653642834 412328872 /nfs/dbraw/zinc/32/88/72/412328872.db2.gz YHKNPXAZJCIIRY-LSDHHAIUSA-N 3 2 287.448 0.342 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000653642834 412328875 /nfs/dbraw/zinc/32/88/75/412328875.db2.gz YHKNPXAZJCIIRY-LSDHHAIUSA-N 3 2 287.448 0.342 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000653642834 412328877 /nfs/dbraw/zinc/32/88/77/412328877.db2.gz YHKNPXAZJCIIRY-LSDHHAIUSA-N 3 2 287.448 0.342 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@]2(C1)CCCOC2 ZINC000653664964 412333410 /nfs/dbraw/zinc/33/34/10/412333410.db2.gz DSJHLEUDJKEINB-LSDHHAIUSA-N 2 2 286.416 0.428 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@]2(C1)CCCOC2 ZINC000653664964 412333414 /nfs/dbraw/zinc/33/34/14/412333414.db2.gz DSJHLEUDJKEINB-LSDHHAIUSA-N 2 2 286.416 0.428 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000653664964 412333417 /nfs/dbraw/zinc/33/34/17/412333417.db2.gz DSJHLEUDJKEINB-LSDHHAIUSA-N 2 2 286.416 0.428 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000653664964 412333423 /nfs/dbraw/zinc/33/34/23/412333423.db2.gz DSJHLEUDJKEINB-LSDHHAIUSA-N 2 2 286.416 0.428 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@](C)(CO)c1cccc(O)c1 ZINC000653677612 412334658 /nfs/dbraw/zinc/33/46/58/412334658.db2.gz ZFXQHSHSKIRMPK-HUUCEWRRSA-N 2 2 282.384 0.502 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@](C)(CO)c1cccc(O)c1 ZINC000653677612 412334661 /nfs/dbraw/zinc/33/46/61/412334661.db2.gz ZFXQHSHSKIRMPK-HUUCEWRRSA-N 2 2 282.384 0.502 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C(N)=O)[C@H](C)c1ccccc1 ZINC000653694913 412336080 /nfs/dbraw/zinc/33/60/80/412336080.db2.gz VWGCVPDYQCNCTE-BPLDGKMQSA-N 2 2 293.411 0.546 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C(N)=O)[C@H](C)c1ccccc1 ZINC000653694913 412336081 /nfs/dbraw/zinc/33/60/81/412336081.db2.gz VWGCVPDYQCNCTE-BPLDGKMQSA-N 2 2 293.411 0.546 20 0 CCADLP C[C@@H](C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)[NH+]1CCOCC1 ZINC000654927626 412450854 /nfs/dbraw/zinc/45/08/54/412450854.db2.gz VITBKYHRZGQVFG-KKUMJFAQSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H](C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)[NH+]1CCOCC1 ZINC000654927626 412450856 /nfs/dbraw/zinc/45/08/56/412450856.db2.gz VITBKYHRZGQVFG-KKUMJFAQSA-N 2 2 295.427 0.650 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)NCC12CC(C1)C[NH2+]2 ZINC000659424351 413489326 /nfs/dbraw/zinc/48/93/26/413489326.db2.gz SNVHONFLLDXDPO-UHFFFAOYSA-N 2 2 263.345 0.324 20 0 CCADLP C[C@H](NC(=O)N(C)CC(C)(C)[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000659450082 413508655 /nfs/dbraw/zinc/50/86/55/413508655.db2.gz GPTGJOWVGOLIGG-RYUDHWBXSA-N 2 2 286.420 0.474 20 0 CCADLP C[C@H](NC(=O)NCC[NH2+]C1CC1)c1[nH+]ccn1C ZINC000659509855 413570744 /nfs/dbraw/zinc/57/07/44/413570744.db2.gz JYZPMUQKEVTHKA-VIFPVBQESA-N 2 2 251.334 0.532 20 0 CCADLP COCC[NH2+]CCNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000659526401 413602990 /nfs/dbraw/zinc/60/29/90/413602990.db2.gz BVNYQVNPBFVTEK-JTQLQIEISA-N 2 2 269.349 0.016 20 0 CCADLP CC[NH2+]CCNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000659514787 413579197 /nfs/dbraw/zinc/57/91/97/413579197.db2.gz OPKPRKUIGMAIGC-UHFFFAOYSA-N 2 2 298.431 0.350 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000659646552 413750684 /nfs/dbraw/zinc/75/06/84/413750684.db2.gz IENTVRFGNJTTHE-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](OCCO)C1 ZINC000659930121 413980329 /nfs/dbraw/zinc/98/03/29/413980329.db2.gz BCBHRQSQZPOIKR-KBPBESRZSA-N 2 2 274.405 0.161 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](OCCO)C1 ZINC000659930121 413980338 /nfs/dbraw/zinc/98/03/38/413980338.db2.gz BCBHRQSQZPOIKR-KBPBESRZSA-N 2 2 274.405 0.161 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000659930121 413980344 /nfs/dbraw/zinc/98/03/44/413980344.db2.gz BCBHRQSQZPOIKR-KBPBESRZSA-N 2 2 274.405 0.161 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](OCCO)C1 ZINC000659930121 413980356 /nfs/dbraw/zinc/98/03/56/413980356.db2.gz BCBHRQSQZPOIKR-KBPBESRZSA-N 2 2 274.405 0.161 20 0 CCADLP CO[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)[C@@H]1CCOC1 ZINC000659956899 414002085 /nfs/dbraw/zinc/00/20/85/414002085.db2.gz VVBDUTWDLUIZKC-BZUAXINKSA-N 2 2 298.427 0.692 20 0 CCADLP CO[C@H](C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)[C@@H]1CCOC1 ZINC000659956899 414002092 /nfs/dbraw/zinc/00/20/92/414002092.db2.gz VVBDUTWDLUIZKC-BZUAXINKSA-N 2 2 298.427 0.692 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCSC[C@@H]1CCO ZINC000660004431 414042249 /nfs/dbraw/zinc/04/22/49/414042249.db2.gz WLKKINXMVPBMPB-STQMWFEESA-N 2 2 276.446 0.487 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCSC[C@@H]1CCO ZINC000660004431 414042256 /nfs/dbraw/zinc/04/22/56/414042256.db2.gz WLKKINXMVPBMPB-STQMWFEESA-N 2 2 276.446 0.487 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCSC[C@@H]1CCO ZINC000660004431 414042261 /nfs/dbraw/zinc/04/22/61/414042261.db2.gz WLKKINXMVPBMPB-STQMWFEESA-N 2 2 276.446 0.487 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCSC[C@@H]1CCO ZINC000660004431 414042269 /nfs/dbraw/zinc/04/22/69/414042269.db2.gz WLKKINXMVPBMPB-STQMWFEESA-N 2 2 276.446 0.487 20 0 CCADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@H](C)C[NH3+])CC1 ZINC000285690834 196368346 /nfs/dbraw/zinc/36/83/46/196368346.db2.gz AQCBMRKHSPGBFK-CYBMUJFWSA-N 2 2 291.395 0.934 20 0 CCADLP CCN1OC[C@@H]([N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1=O ZINC000660129519 414137883 /nfs/dbraw/zinc/13/78/83/414137883.db2.gz QXODOIWFCRBLKZ-GHMZBOCLSA-N 2 2 264.329 0.372 20 0 CCADLP CCN1OC[C@@H]([N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1=O ZINC000660129519 414137890 /nfs/dbraw/zinc/13/78/90/414137890.db2.gz QXODOIWFCRBLKZ-GHMZBOCLSA-N 2 2 264.329 0.372 20 0 CCADLP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@@]2(O)CCCOC2)C1 ZINC000660068260 414088175 /nfs/dbraw/zinc/08/81/75/414088175.db2.gz BKXJCUJZKSMJNK-KGLIPLIRSA-N 2 2 256.390 0.990 20 0 CCADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@@]2(O)CCCOC2)C1 ZINC000660068260 414088188 /nfs/dbraw/zinc/08/81/88/414088188.db2.gz BKXJCUJZKSMJNK-KGLIPLIRSA-N 2 2 256.390 0.990 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000660279798 414222839 /nfs/dbraw/zinc/22/28/39/414222839.db2.gz FFHZWXVIPNVJEW-UONOGXRCSA-N 2 2 298.431 0.223 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000660279798 414222844 /nfs/dbraw/zinc/22/28/44/414222844.db2.gz FFHZWXVIPNVJEW-UONOGXRCSA-N 2 2 298.431 0.223 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000660279798 414222847 /nfs/dbraw/zinc/22/28/47/414222847.db2.gz FFHZWXVIPNVJEW-UONOGXRCSA-N 2 2 298.431 0.223 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000660279798 414222852 /nfs/dbraw/zinc/22/28/52/414222852.db2.gz FFHZWXVIPNVJEW-UONOGXRCSA-N 2 2 298.431 0.223 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(Cc2cn(C)c[nH+]2)[C@H](C)C1 ZINC000660328549 414247507 /nfs/dbraw/zinc/24/75/07/414247507.db2.gz LJQQDKSNXJSMGI-VXGBXAGGSA-N 2 2 252.362 0.307 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(Cc2cn(C)c[nH+]2)[C@H](C)C1 ZINC000660328549 414247511 /nfs/dbraw/zinc/24/75/11/414247511.db2.gz LJQQDKSNXJSMGI-VXGBXAGGSA-N 2 2 252.362 0.307 20 0 CCADLP CO[C@@H](C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)[C@@H]1CCOC1 ZINC000660420418 414305315 /nfs/dbraw/zinc/30/53/15/414305315.db2.gz RHYFIKAALHIRFZ-OLZOCXBDSA-N 2 2 280.372 0.583 20 0 CCADLP C[C@@H](O)CC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660478377 414347196 /nfs/dbraw/zinc/34/71/96/414347196.db2.gz LZHJMLGGQBHMIC-ZIAGYGMSSA-N 2 2 256.390 0.944 20 0 CCADLP C[C@@H](O)CC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660478377 414347202 /nfs/dbraw/zinc/34/72/02/414347202.db2.gz LZHJMLGGQBHMIC-ZIAGYGMSSA-N 2 2 256.390 0.944 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)CN1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000660536206 414381210 /nfs/dbraw/zinc/38/12/10/414381210.db2.gz FHTDDKICHUWELI-OAGGEKHMSA-N 2 2 299.459 0.483 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)CN1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000660536206 414381213 /nfs/dbraw/zinc/38/12/13/414381213.db2.gz FHTDDKICHUWELI-OAGGEKHMSA-N 2 2 299.459 0.483 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000660536206 414381221 /nfs/dbraw/zinc/38/12/21/414381221.db2.gz FHTDDKICHUWELI-OAGGEKHMSA-N 2 2 299.459 0.483 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000660536206 414381226 /nfs/dbraw/zinc/38/12/26/414381226.db2.gz FHTDDKICHUWELI-OAGGEKHMSA-N 2 2 299.459 0.483 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000660536206 414381233 /nfs/dbraw/zinc/38/12/33/414381233.db2.gz FHTDDKICHUWELI-OAGGEKHMSA-N 2 2 299.459 0.483 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000660536206 414381240 /nfs/dbraw/zinc/38/12/40/414381240.db2.gz FHTDDKICHUWELI-OAGGEKHMSA-N 2 2 299.459 0.483 20 0 CCADLP CCCNC(=O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660652598 414427799 /nfs/dbraw/zinc/42/77/99/414427799.db2.gz KOZSJSLNFXHTGB-AWEZNQCLSA-N 2 2 253.390 0.930 20 0 CCADLP CCCNC(=O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660652598 414427802 /nfs/dbraw/zinc/42/78/02/414427802.db2.gz KOZSJSLNFXHTGB-AWEZNQCLSA-N 2 2 253.390 0.930 20 0 CCADLP CCCNC(=O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660652598 414427808 /nfs/dbraw/zinc/42/78/08/414427808.db2.gz KOZSJSLNFXHTGB-AWEZNQCLSA-N 2 2 253.390 0.930 20 0 CCADLP CCCNC(=O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660652598 414427811 /nfs/dbraw/zinc/42/78/11/414427811.db2.gz KOZSJSLNFXHTGB-AWEZNQCLSA-N 2 2 253.390 0.930 20 0 CCADLP CC(=O)[C@](C)(O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660664217 414434774 /nfs/dbraw/zinc/43/47/74/414434774.db2.gz QTKBPUIECSFVMS-ZIAGYGMSSA-N 2 2 254.374 0.744 20 0 CCADLP CC(=O)[C@](C)(O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660664217 414434781 /nfs/dbraw/zinc/43/47/81/414434781.db2.gz QTKBPUIECSFVMS-ZIAGYGMSSA-N 2 2 254.374 0.744 20 0 CCADLP CC(=O)[C@](C)(O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660664217 414434788 /nfs/dbraw/zinc/43/47/88/414434788.db2.gz QTKBPUIECSFVMS-ZIAGYGMSSA-N 2 2 254.374 0.744 20 0 CCADLP CC(=O)[C@](C)(O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660664217 414434793 /nfs/dbraw/zinc/43/47/93/414434793.db2.gz QTKBPUIECSFVMS-ZIAGYGMSSA-N 2 2 254.374 0.744 20 0 CCADLP CC(C)C[NH2+]C1(CO)CCN(CCn2cc[nH+]c2)CC1 ZINC000660696334 414444831 /nfs/dbraw/zinc/44/48/31/414444831.db2.gz JPSKDXQUYBQNKO-UHFFFAOYSA-N 2 2 280.416 0.956 20 0 CCADLP CC(C)C[NH2+]C1(CO)CC[NH+](CCn2ccnc2)CC1 ZINC000660696334 414444841 /nfs/dbraw/zinc/44/48/41/414444841.db2.gz JPSKDXQUYBQNKO-UHFFFAOYSA-N 2 2 280.416 0.956 20 0 CCADLP CCOC[C@H](O)C[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660695129 414446471 /nfs/dbraw/zinc/44/64/71/414446471.db2.gz NKAHDPVXYNTPAO-CQSZACIVSA-N 2 2 288.432 0.456 20 0 CCADLP CNC(=O)NC1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000660807377 414487545 /nfs/dbraw/zinc/48/75/45/414487545.db2.gz GXYDIJQXRURVOZ-UHFFFAOYSA-N 2 2 265.361 0.585 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000660837191 414498453 /nfs/dbraw/zinc/49/84/53/414498453.db2.gz MMDBPTVTQWGDCE-JTQLQIEISA-N 2 2 251.334 0.645 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000660837191 414498458 /nfs/dbraw/zinc/49/84/58/414498458.db2.gz MMDBPTVTQWGDCE-JTQLQIEISA-N 2 2 251.334 0.645 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000660837191 414498461 /nfs/dbraw/zinc/49/84/61/414498461.db2.gz MMDBPTVTQWGDCE-JTQLQIEISA-N 2 2 251.334 0.645 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000660837191 414498465 /nfs/dbraw/zinc/49/84/65/414498465.db2.gz MMDBPTVTQWGDCE-JTQLQIEISA-N 2 2 251.334 0.645 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+]([C@@H]2COC(C)(C)C2)CC1=O ZINC000660913384 414527709 /nfs/dbraw/zinc/52/77/09/414527709.db2.gz SJBPEUDTXXATSD-LBPRGKRZSA-N 2 2 269.389 0.260 20 0 CCADLP C[NH+](C)CCN1CC[N@H+]([C@@H]2COC(C)(C)C2)CC1=O ZINC000660913384 414527713 /nfs/dbraw/zinc/52/77/13/414527713.db2.gz SJBPEUDTXXATSD-LBPRGKRZSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H]1CCO ZINC000661489439 414633002 /nfs/dbraw/zinc/63/30/02/414633002.db2.gz PIYMHRNZPHZSOL-UONOGXRCSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H]1CCO ZINC000661489439 414633007 /nfs/dbraw/zinc/63/30/07/414633007.db2.gz PIYMHRNZPHZSOL-UONOGXRCSA-N 2 2 283.416 0.243 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@]3(C)COC[C@]3(C)C2)CC1 ZINC000661497337 414633307 /nfs/dbraw/zinc/63/33/07/414633307.db2.gz SGXJAZKQDRKEEO-GASCZTMLSA-N 2 2 281.400 0.119 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@]3(C)COC[C@]3(C)C2)CC1 ZINC000661497337 414633309 /nfs/dbraw/zinc/63/33/09/414633309.db2.gz SGXJAZKQDRKEEO-GASCZTMLSA-N 2 2 281.400 0.119 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@H]2NC(=O)CC[C@@H]2C1)C1CC1 ZINC000661597289 414647912 /nfs/dbraw/zinc/64/79/12/414647912.db2.gz PHUQTFKAIGEJLS-KWCYVHTRSA-N 2 2 281.400 0.042 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H]2NC(=O)CC[C@@H]2C1)C1CC1 ZINC000661597289 414647913 /nfs/dbraw/zinc/64/79/13/414647913.db2.gz PHUQTFKAIGEJLS-KWCYVHTRSA-N 2 2 281.400 0.042 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1)C1CC1 ZINC000661597289 414647916 /nfs/dbraw/zinc/64/79/16/414647916.db2.gz PHUQTFKAIGEJLS-KWCYVHTRSA-N 2 2 281.400 0.042 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1)C1CC1 ZINC000661597289 414647918 /nfs/dbraw/zinc/64/79/18/414647918.db2.gz PHUQTFKAIGEJLS-KWCYVHTRSA-N 2 2 281.400 0.042 20 0 CCADLP COCCOCCOCCC[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000662276208 414704855 /nfs/dbraw/zinc/70/48/55/414704855.db2.gz KYCKGRICZUEMRX-GJZGRUSLSA-N 2 2 286.416 0.740 20 0 CCADLP COCCOCCOCCC[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000662276208 414704856 /nfs/dbraw/zinc/70/48/56/414704856.db2.gz KYCKGRICZUEMRX-GJZGRUSLSA-N 2 2 286.416 0.740 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000662279474 414705023 /nfs/dbraw/zinc/70/50/23/414705023.db2.gz KAOMVVOGKIBGAD-FVQBIDKESA-N 3 2 279.428 0.924 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000662279474 414705024 /nfs/dbraw/zinc/70/50/24/414705024.db2.gz KAOMVVOGKIBGAD-FVQBIDKESA-N 3 2 279.428 0.924 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000662279474 414705025 /nfs/dbraw/zinc/70/50/25/414705025.db2.gz KAOMVVOGKIBGAD-FVQBIDKESA-N 3 2 279.428 0.924 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000662279474 414705026 /nfs/dbraw/zinc/70/50/26/414705026.db2.gz KAOMVVOGKIBGAD-FVQBIDKESA-N 3 2 279.428 0.924 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000662282723 414705866 /nfs/dbraw/zinc/70/58/66/414705866.db2.gz JTKSSJLUTBSJSP-MCIONIFRSA-N 2 2 254.374 0.866 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000662282723 414705867 /nfs/dbraw/zinc/70/58/67/414705867.db2.gz JTKSSJLUTBSJSP-MCIONIFRSA-N 2 2 254.374 0.866 20 0 CCADLP CC(C)c1cccc(C[N@H+](CC[NH3+])C[C@H](O)CO)c1 ZINC000662285480 414706025 /nfs/dbraw/zinc/70/60/25/414706025.db2.gz BMNCIQQPKLDILC-HNNXBMFYSA-N 2 2 266.385 0.924 20 0 CCADLP CC(C)c1cccc(C[N@@H+](CC[NH3+])C[C@H](O)CO)c1 ZINC000662285480 414706026 /nfs/dbraw/zinc/70/60/26/414706026.db2.gz BMNCIQQPKLDILC-HNNXBMFYSA-N 2 2 266.385 0.924 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+](C)Cc1ccc(OC)nc1 ZINC000662297032 414707925 /nfs/dbraw/zinc/70/79/25/414707925.db2.gz XZZZALPUXZGYFF-CYBMUJFWSA-N 2 2 253.346 0.492 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+](C)Cc1ccc(OC)nc1 ZINC000662297032 414707926 /nfs/dbraw/zinc/70/79/26/414707926.db2.gz XZZZALPUXZGYFF-CYBMUJFWSA-N 2 2 253.346 0.492 20 0 CCADLP CN1CC[C@@H]([N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)C1=O ZINC000662319088 414709492 /nfs/dbraw/zinc/70/94/92/414709492.db2.gz DBFLLPXVLYRABF-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CN1CC[C@@H]([N@H+]2CCO[C@H](CCC[NH+](C)C)C2)C1=O ZINC000662319088 414709493 /nfs/dbraw/zinc/70/94/93/414709493.db2.gz DBFLLPXVLYRABF-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP FC(F)(F)C[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000662326114 414710519 /nfs/dbraw/zinc/71/05/19/414710519.db2.gz OEXBXIWVIWCXDT-LLVKDONJSA-N 2 2 281.322 0.545 20 0 CCADLP FC(F)(F)C[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000662326114 414710520 /nfs/dbraw/zinc/71/05/20/414710520.db2.gz OEXBXIWVIWCXDT-LLVKDONJSA-N 2 2 281.322 0.545 20 0 CCADLP COCC1([NH2+]CC(=O)N2CC[NH+](C)CC2)CCCCC1 ZINC000662337750 414710873 /nfs/dbraw/zinc/71/08/73/414710873.db2.gz FALVBAFMAQEGCE-UHFFFAOYSA-N 2 2 283.416 0.699 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@H](CN2CCCC2=O)C1)C1CC1 ZINC000662053325 414688569 /nfs/dbraw/zinc/68/85/69/414688569.db2.gz HSMWQJUYRLHZBR-DZGCQCFKSA-N 2 2 295.427 0.386 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@H](CN2CCCC2=O)C1)C1CC1 ZINC000662053325 414688570 /nfs/dbraw/zinc/68/85/70/414688570.db2.gz HSMWQJUYRLHZBR-DZGCQCFKSA-N 2 2 295.427 0.386 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@H](CN2CCCC2=O)C1)C1CC1 ZINC000662053325 414688571 /nfs/dbraw/zinc/68/85/71/414688571.db2.gz HSMWQJUYRLHZBR-DZGCQCFKSA-N 2 2 295.427 0.386 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@H](CN2CCCC2=O)C1)C1CC1 ZINC000662053325 414688572 /nfs/dbraw/zinc/68/85/72/414688572.db2.gz HSMWQJUYRLHZBR-DZGCQCFKSA-N 2 2 295.427 0.386 20 0 CCADLP CC(C)NC(=O)NCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662147362 414692903 /nfs/dbraw/zinc/69/29/03/414692903.db2.gz FADRUQODTHLYBZ-AWEZNQCLSA-N 2 2 298.431 0.225 20 0 CCADLP CC(C)NC(=O)NCC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662147362 414692904 /nfs/dbraw/zinc/69/29/04/414692904.db2.gz FADRUQODTHLYBZ-AWEZNQCLSA-N 2 2 298.431 0.225 20 0 CCADLP C[N@H+](Cc1coc(S(N)(=O)=O)c1)CC(C)(C)C[NH3+] ZINC000662243784 414698937 /nfs/dbraw/zinc/69/89/37/414698937.db2.gz DNOLTQPZSDDDST-UHFFFAOYSA-N 2 2 275.374 0.344 20 0 CCADLP C[N@@H+](Cc1coc(S(N)(=O)=O)c1)CC(C)(C)C[NH3+] ZINC000662243784 414698938 /nfs/dbraw/zinc/69/89/38/414698938.db2.gz DNOLTQPZSDDDST-UHFFFAOYSA-N 2 2 275.374 0.344 20 0 CCADLP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662252776 414699608 /nfs/dbraw/zinc/69/96/08/414699608.db2.gz OTHFMYIHCDKIJU-KFWWJZLASA-N 2 2 297.443 0.992 20 0 CCADLP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662252776 414699609 /nfs/dbraw/zinc/69/96/09/414699609.db2.gz OTHFMYIHCDKIJU-KFWWJZLASA-N 2 2 297.443 0.992 20 0 CCADLP CC(C)C(=O)NC1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662253853 414699849 /nfs/dbraw/zinc/69/98/49/414699849.db2.gz WVWFRSHIDGKSLB-CYBMUJFWSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@H](O)C[N@H+](C[C@H]1C[NH2+]CCO1)C1CCCCC1 ZINC000662256091 414700371 /nfs/dbraw/zinc/70/03/71/414700371.db2.gz FWQNOMGGUXGMRR-GXTWGEPZSA-N 2 2 256.390 0.990 20 0 CCADLP C[C@H](O)C[N@@H+](C[C@H]1C[NH2+]CCO1)C1CCCCC1 ZINC000662256091 414700372 /nfs/dbraw/zinc/70/03/72/414700372.db2.gz FWQNOMGGUXGMRR-GXTWGEPZSA-N 2 2 256.390 0.990 20 0 CCADLP CC[C@@H]1C[N@H+](C[C@H]2C[NH2+]CCO2)[C@H](CC)CN1C(C)=O ZINC000662257517 414700673 /nfs/dbraw/zinc/70/06/73/414700673.db2.gz PGGBABVZPHKMTD-RBSFLKMASA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@@H]1C[N@@H+](C[C@H]2C[NH2+]CCO2)[C@H](CC)CN1C(C)=O ZINC000662257517 414700674 /nfs/dbraw/zinc/70/06/74/414700674.db2.gz PGGBABVZPHKMTD-RBSFLKMASA-N 2 2 283.416 0.696 20 0 CCADLP O[C@H]([C@@H]1CCC[N@@H+]1C[C@H]1C[NH2+]CCO1)C(F)(F)F ZINC000662256976 414700742 /nfs/dbraw/zinc/70/07/42/414700742.db2.gz KVXOQAAHJFOUIA-KXUCPTDWSA-N 2 2 268.279 0.362 20 0 CCADLP O[C@H]([C@@H]1CCC[N@H+]1C[C@H]1C[NH2+]CCO1)C(F)(F)F ZINC000662256976 414700743 /nfs/dbraw/zinc/70/07/43/414700743.db2.gz KVXOQAAHJFOUIA-KXUCPTDWSA-N 2 2 268.279 0.362 20 0 CCADLP CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662256081 414700833 /nfs/dbraw/zinc/70/08/33/414700833.db2.gz FTDOLPFMHWQGTK-KKUMJFAQSA-N 2 2 297.443 0.992 20 0 CCADLP CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662256081 414700834 /nfs/dbraw/zinc/70/08/34/414700834.db2.gz FTDOLPFMHWQGTK-KKUMJFAQSA-N 2 2 297.443 0.992 20 0 CCADLP c1c[nH+]c([C@@H]2CCCN(C[C@@H]3C[NH2+]CCO3)C2)[nH]1 ZINC000662259968 414700995 /nfs/dbraw/zinc/70/09/95/414700995.db2.gz FMWXZEGTKZRURS-NEPJUHHUSA-N 2 2 250.346 0.578 20 0 CCADLP CO[C@@H](C)c1noc(C[N@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662258536 414701012 /nfs/dbraw/zinc/70/10/12/414701012.db2.gz JRIPAKYHYRZWQM-QWRGUYRKSA-N 2 2 296.371 0.730 20 0 CCADLP CO[C@@H](C)c1noc(C[N@@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662258536 414701013 /nfs/dbraw/zinc/70/10/13/414701013.db2.gz JRIPAKYHYRZWQM-QWRGUYRKSA-N 2 2 296.371 0.730 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CC2([NH3+])CC2)CC1 ZINC000662748584 414756243 /nfs/dbraw/zinc/75/62/43/414756243.db2.gz XCCOZUZTGPQEGC-UHFFFAOYSA-N 3 2 268.405 0.010 20 0 CCADLP [NH3+][C@H](C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1c(F)cccc1F ZINC000662750295 414758917 /nfs/dbraw/zinc/75/89/17/414758917.db2.gz UFHKYJSUSYMOEJ-XXFPWJFMSA-N 2 2 287.285 0.862 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)C[C@H]2COCC[NH2+]2)CC1(C)C ZINC000662755310 414765659 /nfs/dbraw/zinc/76/56/59/414765659.db2.gz DUHUFNIBHITQSW-AAEUAGOBSA-N 2 2 292.383 0.708 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3CC[NH2+]C3)ccn12 ZINC000662765540 414775619 /nfs/dbraw/zinc/77/56/19/414775619.db2.gz HKFSAOOUDHDHOJ-LLVKDONJSA-N 2 2 258.325 0.982 20 0 CCADLP Cc1ccoc1CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000662429678 414717602 /nfs/dbraw/zinc/71/76/02/414717602.db2.gz QXUCCXKLCGDDND-LLVKDONJSA-N 2 2 251.330 0.232 20 0 CCADLP Cc1ccoc1CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000662429678 414717603 /nfs/dbraw/zinc/71/76/03/414717603.db2.gz QXUCCXKLCGDDND-LLVKDONJSA-N 2 2 251.330 0.232 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000662486463 414722543 /nfs/dbraw/zinc/72/25/43/414722543.db2.gz WMDCWIIEWWNTMU-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662595138 414731330 /nfs/dbraw/zinc/73/13/30/414731330.db2.gz XZETXRQAMJLCTM-OLZOCXBDSA-N 3 2 284.448 0.502 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662595138 414731331 /nfs/dbraw/zinc/73/13/31/414731331.db2.gz XZETXRQAMJLCTM-OLZOCXBDSA-N 3 2 284.448 0.502 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)[C@H](C)CO1 ZINC000662631985 414734935 /nfs/dbraw/zinc/73/49/35/414734935.db2.gz VZDPSDYYTYSLQI-DGAVXFQQSA-N 2 2 283.416 0.600 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)[C@H](C)CO1 ZINC000662631985 414734936 /nfs/dbraw/zinc/73/49/36/414734936.db2.gz VZDPSDYYTYSLQI-DGAVXFQQSA-N 2 2 283.416 0.600 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)c2ccc(C[NH3+])o2)[C@@H](C)CO1 ZINC000662632287 414735429 /nfs/dbraw/zinc/73/54/29/414735429.db2.gz ZUKVHIFLGNGHQB-WDEREUQCSA-N 2 2 281.356 0.577 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(C[NH3+])o2)[C@@H](C)CO1 ZINC000662632287 414735430 /nfs/dbraw/zinc/73/54/30/414735430.db2.gz ZUKVHIFLGNGHQB-WDEREUQCSA-N 2 2 281.356 0.577 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C(C)(C)C[NH3+] ZINC000662635447 414735785 /nfs/dbraw/zinc/73/57/85/414735785.db2.gz VVYOSKLQCJQZNX-MNOVXSKESA-N 2 2 257.378 0.197 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C(C)(C)C[NH3+] ZINC000662635447 414735786 /nfs/dbraw/zinc/73/57/86/414735786.db2.gz VVYOSKLQCJQZNX-MNOVXSKESA-N 2 2 257.378 0.197 20 0 CCADLP C[C@@H](C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)[C@H](C)[NH3+] ZINC000662636495 414736054 /nfs/dbraw/zinc/73/60/54/414736054.db2.gz YVCWRCIIXPFZGW-KKOKHZNYSA-N 2 2 257.378 0.195 20 0 CCADLP C[C@@H](C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)[C@H](C)[NH3+] ZINC000662636495 414736055 /nfs/dbraw/zinc/73/60/55/414736055.db2.gz YVCWRCIIXPFZGW-KKOKHZNYSA-N 2 2 257.378 0.195 20 0 CCADLP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000662672016 414739433 /nfs/dbraw/zinc/73/94/33/414739433.db2.gz UGARZMPBXKDGHB-OLZOCXBDSA-N 2 2 288.351 0.357 20 0 CCADLP [NH3+]C1(C(=O)N2CC[NH+](C3CC3)CC2)CC2(CCC2)C1 ZINC000662674221 414739772 /nfs/dbraw/zinc/73/97/72/414739772.db2.gz ZZXYCCJTCRQGFG-UHFFFAOYSA-N 2 2 263.385 0.955 20 0 CCADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C1(O)C[NH2+]C1 ZINC000662673952 414739836 /nfs/dbraw/zinc/73/98/36/414739836.db2.gz TYGKNBREYRZMQS-UHFFFAOYSA-N 2 2 290.367 0.022 20 0 CCADLP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCCCNc1cccc[nH+]1 ZINC000662682229 414740421 /nfs/dbraw/zinc/74/04/21/414740421.db2.gz OXCWZCUBDUARMF-RYUDHWBXSA-N 2 2 278.356 0.364 20 0 CCADLP [NH3+]CC12CC(C1)CN2C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000662682860 414740903 /nfs/dbraw/zinc/74/09/03/414740903.db2.gz JYDQPHKZXCMFST-CXOJTPOUSA-N 2 2 293.411 0.580 20 0 CCADLP [NH3+]CC12CC(C1)CN2C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000662682860 414740904 /nfs/dbraw/zinc/74/09/04/414740904.db2.gz JYDQPHKZXCMFST-CXOJTPOUSA-N 2 2 293.411 0.580 20 0 CCADLP COc1cc[nH+]cc1NC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662701302 414743124 /nfs/dbraw/zinc/74/31/24/414743124.db2.gz OEGHEYMUHFFFKR-GZMMTYOYSA-N 2 2 251.286 0.393 20 0 CCADLP [NH3+][C@H]1C[C@H](C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)C1 ZINC000662711209 414744907 /nfs/dbraw/zinc/74/49/07/414744907.db2.gz LHIAURGWTYRJKS-HDJSIYSDSA-N 2 2 289.379 0.774 20 0 CCADLP [NH3+][C@H]1C[C@H](C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000662795275 414800429 /nfs/dbraw/zinc/80/04/29/414800429.db2.gz NIEPVQSHKPXVQM-SRVKXCTJSA-N 2 2 260.341 0.514 20 0 CCADLP CC1(C)CC[NH2+][C@@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662871382 414855613 /nfs/dbraw/zinc/85/56/13/414855613.db2.gz ZGSSSTBAWSXRHS-QWHCGFSZSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662952667 414913412 /nfs/dbraw/zinc/91/34/12/414913412.db2.gz WYUJMNFZLHFQLV-CMPLNLGQSA-N 2 2 293.371 0.096 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000662952667 414913417 /nfs/dbraw/zinc/91/34/17/414913417.db2.gz WYUJMNFZLHFQLV-CMPLNLGQSA-N 2 2 293.371 0.096 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)C[C@H]1COCC[NH2+]1 ZINC000662898834 414878202 /nfs/dbraw/zinc/87/82/02/414878202.db2.gz BFEPFIUKJQAHBZ-QWRGUYRKSA-N 2 2 266.345 0.459 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000662899971 414881198 /nfs/dbraw/zinc/88/11/98/414881198.db2.gz JHZWWOXUDNILEC-MXWKQRLJSA-N 2 2 266.345 0.457 20 0 CCADLP O=C(NCC12CC(C1)C[NH2+]2)[C@H]1CCc2[nH+]ccn2C1 ZINC000662924169 414896903 /nfs/dbraw/zinc/89/69/03/414896903.db2.gz YSWDTOWMSQKWHV-CVZZAPKMSA-N 2 2 260.341 0.314 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1CC12CC[NH2+]CC2)c1[nH+]ccn1C ZINC000662932433 414900952 /nfs/dbraw/zinc/90/09/52/414900952.db2.gz ATKLAODPYHLRDT-MNOVXSKESA-N 2 2 262.357 0.987 20 0 CCADLP C[C@H](NC(=O)[C@H]1CC[NH2+]CC1(F)F)c1[nH+]ccn1C ZINC000662934906 414904587 /nfs/dbraw/zinc/90/45/87/414904587.db2.gz RCQMVSMQGAUPSV-DTWKUNHWSA-N 2 2 272.299 0.842 20 0 CCADLP C[C@@]1(NC(=O)Cc2cn3ccccc3[nH+]2)CC[NH2+]C1 ZINC000663010191 414948639 /nfs/dbraw/zinc/94/86/39/414948639.db2.gz IMFIAHFNPCOSPE-CQSZACIVSA-N 2 2 258.325 0.745 20 0 CCADLP c1cc(N2CCOCC2)nc(N[C@H]2CC[N@@H+](C3CC3)C2)[nH+]1 ZINC000663428171 415063834 /nfs/dbraw/zinc/06/38/34/415063834.db2.gz DAIWLTUVZQDBRE-LBPRGKRZSA-N 2 2 289.383 0.962 20 0 CCADLP c1cc(N2CCOCC2)nc(N[C@H]2CC[N@H+](C3CC3)C2)[nH+]1 ZINC000663428171 415063842 /nfs/dbraw/zinc/06/38/42/415063842.db2.gz DAIWLTUVZQDBRE-LBPRGKRZSA-N 2 2 289.383 0.962 20 0 CCADLP [NH3+]C[C@H]1CC[N@H+](Cc2nc3c(s2)C[NH2+]CC3)C1 ZINC000663493688 415075815 /nfs/dbraw/zinc/07/58/15/415075815.db2.gz CXUWEIIQIQSTDN-SECBINFHSA-N 3 2 252.387 0.569 20 0 CCADLP [NH3+]C[C@H]1CC[N@@H+](Cc2nc3c(s2)C[NH2+]CC3)C1 ZINC000663493688 415075822 /nfs/dbraw/zinc/07/58/22/415075822.db2.gz CXUWEIIQIQSTDN-SECBINFHSA-N 3 2 252.387 0.569 20 0 CCADLP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1nc2c(s1)C[NH2+]CC2 ZINC000663496490 415077064 /nfs/dbraw/zinc/07/70/64/415077064.db2.gz GWZPSBAHTRMGNV-UWVGGRQHSA-N 3 2 266.414 0.876 20 0 CCADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1nc2c(s1)C[NH2+]CC2 ZINC000663495919 415077475 /nfs/dbraw/zinc/07/74/75/415077475.db2.gz QSYATQAKUVAMEA-UHFFFAOYSA-N 3 2 295.456 0.126 20 0 CCADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1nc2c(s1)C[NH2+]CC2 ZINC000663495919 415077479 /nfs/dbraw/zinc/07/74/79/415077479.db2.gz QSYATQAKUVAMEA-UHFFFAOYSA-N 3 2 295.456 0.126 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)NCC[NH+](C)C2CC2)[C@@H](C)CO1 ZINC000664094519 415242919 /nfs/dbraw/zinc/24/29/19/415242919.db2.gz MQXZHAGLHNTFRU-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC[NH+](C)C2CC2)[C@@H](C)CO1 ZINC000664094519 415242928 /nfs/dbraw/zinc/24/29/28/415242928.db2.gz MQXZHAGLHNTFRU-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)NCC[N@H+](C)C2CC2)[C@@H](C)CO1 ZINC000664094519 415242933 /nfs/dbraw/zinc/24/29/33/415242933.db2.gz MQXZHAGLHNTFRU-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)NCC[N@@H+](C)C2CC2)[C@@H](C)CO1 ZINC000664094519 415242940 /nfs/dbraw/zinc/24/29/40/415242940.db2.gz MQXZHAGLHNTFRU-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP COc1cc(OC)nc(NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000664247588 415300028 /nfs/dbraw/zinc/30/00/28/415300028.db2.gz CEALNSKRDRHTDE-UHFFFAOYSA-N 2 2 297.403 0.789 20 0 CCADLP COc1cc(OC)nc(NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000664247588 415300034 /nfs/dbraw/zinc/30/00/34/415300034.db2.gz CEALNSKRDRHTDE-UHFFFAOYSA-N 2 2 297.403 0.789 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCO[C@@H]1CC1(F)F ZINC000665244332 415575224 /nfs/dbraw/zinc/57/52/24/415575224.db2.gz KZPFYNUBKGEYIO-GMTAPVOTSA-N 2 2 264.316 0.767 20 0 CCADLP Cc1cc(CNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cc(C)[nH+]1 ZINC000665164243 415556135 /nfs/dbraw/zinc/55/61/35/415556135.db2.gz LKPHRNJCKGJABN-KBPBESRZSA-N 2 2 292.383 0.515 20 0 CCADLP NC(=O)c1csc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000665273552 415584480 /nfs/dbraw/zinc/58/44/80/415584480.db2.gz ZDBQKBWCBPXWIR-JGVFFNPUSA-N 2 2 254.359 0.459 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1nccn1C ZINC000665283507 415586625 /nfs/dbraw/zinc/58/66/25/415586625.db2.gz PBWQIYFZNWSGLH-GRYCIOLGSA-N 2 2 252.362 0.838 20 0 CCADLP C[NH+](C)Cc1cnc(C[NH2+]CC(=O)NCC(F)F)s1 ZINC000352706101 227173694 /nfs/dbraw/zinc/17/36/94/227173694.db2.gz UQDXZWCKNHGRRK-UHFFFAOYSA-N 2 2 292.355 0.676 20 0 CCADLP C[C@@H]1COCCN1CC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000192721442 227271785 /nfs/dbraw/zinc/27/17/85/227271785.db2.gz GCSZLDYPQUDCCL-OAHLLOKOSA-N 2 2 299.459 0.486 20 0 CCADLP C[C@@H]1COCCN1CC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000192721442 227271790 /nfs/dbraw/zinc/27/17/90/227271790.db2.gz GCSZLDYPQUDCCL-OAHLLOKOSA-N 2 2 299.459 0.486 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cccs2)CC1 ZINC000037467148 544422949 /nfs/dbraw/zinc/42/29/49/544422949.db2.gz QINSRCFOGGBOPS-UHFFFAOYSA-N 2 2 253.371 0.612 20 0 CCADLP CC(C)(CNC(=O)c1ccc(C[NH3+])o1)[NH+]1CCOCC1 ZINC000094570052 544546156 /nfs/dbraw/zinc/54/61/56/544546156.db2.gz XGRQLZDZYVXTHC-UHFFFAOYSA-N 2 2 281.356 0.579 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000091291629 544526015 /nfs/dbraw/zinc/52/60/15/544526015.db2.gz BGPAGUCFUFNLHN-SECBINFHSA-N 2 2 254.359 0.463 20 0 CCADLP Cc1nc(NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nc(N)[nH+]1 ZINC000631048919 419475589 /nfs/dbraw/zinc/47/55/89/419475589.db2.gz ACCYQZXGCGBURO-AOOOYVTPSA-N 2 2 280.376 0.095 20 0 CCADLP Cc1nc(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nc(N)[nH+]1 ZINC000631048919 419475596 /nfs/dbraw/zinc/47/55/96/419475596.db2.gz ACCYQZXGCGBURO-AOOOYVTPSA-N 2 2 280.376 0.095 20 0 CCADLP Cc1nc(N)nc(NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC000631048919 419475604 /nfs/dbraw/zinc/47/56/04/419475604.db2.gz ACCYQZXGCGBURO-AOOOYVTPSA-N 2 2 280.376 0.095 20 0 CCADLP Cc1nc(N)nc(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC000631048919 419475615 /nfs/dbraw/zinc/47/56/15/419475615.db2.gz ACCYQZXGCGBURO-AOOOYVTPSA-N 2 2 280.376 0.095 20 0 CCADLP C[C@@H](CO)[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000120514801 544572675 /nfs/dbraw/zinc/57/26/75/544572675.db2.gz WBXKJPVEMFDBJT-DZGCQCFKSA-N 2 2 266.385 0.792 20 0 CCADLP C[C@@H](CO)[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000120514801 544572678 /nfs/dbraw/zinc/57/26/78/544572678.db2.gz WBXKJPVEMFDBJT-DZGCQCFKSA-N 2 2 266.385 0.792 20 0 CCADLP C[C@@H](CO)[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000120514801 544572694 /nfs/dbraw/zinc/57/26/94/544572694.db2.gz WBXKJPVEMFDBJT-DZGCQCFKSA-N 2 2 266.385 0.792 20 0 CCADLP C[C@@H](CO)[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000120514801 544572696 /nfs/dbraw/zinc/57/26/96/544572696.db2.gz WBXKJPVEMFDBJT-DZGCQCFKSA-N 2 2 266.385 0.792 20 0 CCADLP CN1CC[C@H]([NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000125263036 544590389 /nfs/dbraw/zinc/59/03/89/544590389.db2.gz CRFOBELXQYORAL-ZDUSSCGKSA-N 2 2 260.341 0.434 20 0 CCADLP COc1ccc(OCC[N@H+](C)C[C@@H]2C[NH2+]CCO2)cc1 ZINC000126638850 544597713 /nfs/dbraw/zinc/59/77/13/544597713.db2.gz YBOYRNIWDPOUOA-HNNXBMFYSA-N 2 2 280.368 0.994 20 0 CCADLP COc1ccc(OCC[N@@H+](C)C[C@@H]2C[NH2+]CCO2)cc1 ZINC000126638850 544597720 /nfs/dbraw/zinc/59/77/20/544597720.db2.gz YBOYRNIWDPOUOA-HNNXBMFYSA-N 2 2 280.368 0.994 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000134974140 544633590 /nfs/dbraw/zinc/63/35/90/544633590.db2.gz BLEFGIOZGHTLHH-VXGBXAGGSA-N 2 2 257.378 0.164 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000134974140 544633593 /nfs/dbraw/zinc/63/35/93/544633593.db2.gz BLEFGIOZGHTLHH-VXGBXAGGSA-N 2 2 257.378 0.164 20 0 CCADLP C[C@@H](CN1CCOCC1)[NH+]1CCC([NH+](C)C)CC1 ZINC000180549581 544754912 /nfs/dbraw/zinc/75/49/12/544754912.db2.gz LRRNUGIBYABFEH-ZDUSSCGKSA-N 2 2 255.406 0.733 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]C[C@@H]2CCSC2)CC1 ZINC000226376496 544830497 /nfs/dbraw/zinc/83/04/97/544830497.db2.gz USIOROXMPGOQCU-NSHDSACASA-N 2 2 257.403 0.103 20 0 CCADLP COc1cc[nH+]c(Cn2cc(CCC[NH3+])nn2)c1OC ZINC000229837758 544850135 /nfs/dbraw/zinc/85/01/35/544850135.db2.gz LREVFYUGMRGHSR-UHFFFAOYSA-N 2 2 277.328 0.630 20 0 CCADLP O=C(C[NH2+]C[C@@H](O)C[NH+]1CCCC1)N1CCCCC1 ZINC000228815112 544846123 /nfs/dbraw/zinc/84/61/23/544846123.db2.gz OSKZEAMRFMAAFB-CYBMUJFWSA-N 2 2 269.389 0.045 20 0 CCADLP COc1cc[nH+]c(CN2CCO[C@@H](C[NH3+])C2)c1OC ZINC000232193410 544863103 /nfs/dbraw/zinc/86/31/03/544863103.db2.gz HABXDOYSMNCOKY-JTQLQIEISA-N 2 2 267.329 0.258 20 0 CCADLP CC(C)([NH3+])CC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000236854177 544887078 /nfs/dbraw/zinc/88/70/78/544887078.db2.gz HGSROJNKYTXFTM-UHFFFAOYSA-N 2 2 292.383 0.662 20 0 CCADLP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000262081242 544939577 /nfs/dbraw/zinc/93/95/77/544939577.db2.gz FAZHEFYVKFNJPD-GXFFZTMASA-N 2 2 290.392 0.875 20 0 CCADLP COc1cc[nH+]c(CN2CCCO[C@@H](C[NH3+])C2)c1OC ZINC000313349018 545013960 /nfs/dbraw/zinc/01/39/60/545013960.db2.gz UPKSAPBHMXKKGI-NSHDSACASA-N 2 2 281.356 0.648 20 0 CCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000527595378 269821498 /nfs/dbraw/zinc/82/14/98/269821498.db2.gz TUDDLTPLDSJINK-OLZOCXBDSA-N 2 2 276.384 0.902 20 0 CCADLP CO[C@H](C[NH3+])C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000521431469 262332716 /nfs/dbraw/zinc/33/27/16/262332716.db2.gz WWGATQCMRUJIQW-NXEZZACHSA-N 2 2 252.318 0.437 20 0 CCADLP CCN1C[C@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)CC1=O ZINC000391574204 264513008 /nfs/dbraw/zinc/51/30/08/264513008.db2.gz WZPYELRABZOAGZ-SNVBAGLBSA-N 2 2 265.361 0.197 20 0 CCADLP COCC[N@@H+]1CC[C@H](NCc2[nH]c(C)c(C)[nH+]2)C1 ZINC000519001382 265289496 /nfs/dbraw/zinc/28/94/96/265289496.db2.gz YSKWOXYFDZYLOX-LBPRGKRZSA-N 2 2 252.362 0.837 20 0 CCADLP COCC[N@H+]1CC[C@H](NCc2[nH]c(C)c(C)[nH+]2)C1 ZINC000519001382 265289500 /nfs/dbraw/zinc/28/95/00/265289500.db2.gz YSKWOXYFDZYLOX-LBPRGKRZSA-N 2 2 252.362 0.837 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@H]2CCN(C(C)C)C2=O)n1C ZINC000519001017 265289673 /nfs/dbraw/zinc/28/96/73/265289673.db2.gz NBYUAMSYSYWXDB-LBPRGKRZSA-N 2 2 250.346 0.827 20 0 CCADLP C([NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)C1(N2CCOCC2)CC1 ZINC000423074554 275726556 /nfs/dbraw/zinc/72/65/56/275726556.db2.gz MBKZDBZJEJJFRO-HUUCEWRRSA-N 2 2 295.427 0.208 20 0 CCADLP CC1CCC(O)(C[NH+]2CCN(C(=O)C[NH+](C)C)CC2)CC1 ZINC000130228563 276192131 /nfs/dbraw/zinc/19/21/31/276192131.db2.gz RDXFGOWAHOHIQS-UHFFFAOYSA-N 2 2 297.443 0.633 20 0 CCADLP CCC(O)(CC)C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422969744 276214052 /nfs/dbraw/zinc/21/40/52/276214052.db2.gz DMNFBZXSEQYRCC-OLZOCXBDSA-N 2 2 256.390 0.894 20 0 CCADLP CC[N@@H+]1CC[C@H]2OCCN(CC[NH+]3CCOCC3)[C@H]2C1 ZINC000339392508 276235600 /nfs/dbraw/zinc/23/56/00/276235600.db2.gz HNWPMXIZKONQDH-LSDHHAIUSA-N 2 2 283.416 0.114 20 0 CCADLP CC[N@H+]1CC[C@H]2OCCN(CC[NH+]3CCOCC3)[C@H]2C1 ZINC000339392508 276235602 /nfs/dbraw/zinc/23/56/02/276235602.db2.gz HNWPMXIZKONQDH-LSDHHAIUSA-N 2 2 283.416 0.114 20 0 CCADLP CCNC(=O)CC[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000362705733 276256820 /nfs/dbraw/zinc/25/68/20/276256820.db2.gz ZAOTVKQBKRJODJ-LSDHHAIUSA-N 2 2 296.459 0.470 20 0 CCADLP CCNC(=O)CC[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000362705733 276256822 /nfs/dbraw/zinc/25/68/22/276256822.db2.gz ZAOTVKQBKRJODJ-LSDHHAIUSA-N 2 2 296.459 0.470 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000418740263 276631822 /nfs/dbraw/zinc/63/18/22/276631822.db2.gz ZOUSTJMGSXHUIK-AVGNSLFASA-N 2 2 284.404 0.228 20 0 CCADLP C[NH2+]CCC[N@H+](C)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000420382349 277022072 /nfs/dbraw/zinc/02/20/72/277022072.db2.gz AHMVEEJOHWDRLE-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH2+]CCC[N@@H+](C)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000420382349 277022073 /nfs/dbraw/zinc/02/20/73/277022073.db2.gz AHMVEEJOHWDRLE-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP COC(=O)[C@@]1(C)CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351539755 277114282 /nfs/dbraw/zinc/11/42/82/277114282.db2.gz VEBGTLYWZJHPLZ-OCCSQVGLSA-N 2 2 270.373 0.327 20 0 CCADLP COC(=O)[C@@]1(C)CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351539755 277114284 /nfs/dbraw/zinc/11/42/84/277114284.db2.gz VEBGTLYWZJHPLZ-OCCSQVGLSA-N 2 2 270.373 0.327 20 0 CCADLP COC(=O)[C@@]1(C)CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000351539755 277114286 /nfs/dbraw/zinc/11/42/86/277114286.db2.gz VEBGTLYWZJHPLZ-OCCSQVGLSA-N 2 2 270.373 0.327 20 0 CCADLP COC(=O)[C@@]1(C)CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351539755 277114288 /nfs/dbraw/zinc/11/42/88/277114288.db2.gz VEBGTLYWZJHPLZ-OCCSQVGLSA-N 2 2 270.373 0.327 20 0 CCADLP C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@H]2C1 ZINC000427777904 277196836 /nfs/dbraw/zinc/19/68/36/277196836.db2.gz KVYARIHVWWZVDD-UPJWGTAASA-N 2 2 274.368 0.466 20 0 CCADLP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@H]2C1 ZINC000427777904 277196837 /nfs/dbraw/zinc/19/68/37/277196837.db2.gz KVYARIHVWWZVDD-UPJWGTAASA-N 2 2 274.368 0.466 20 0 CCADLP C[NH2+]CC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000168410501 277264243 /nfs/dbraw/zinc/26/42/43/277264243.db2.gz LRHSOYCHDMGBDZ-UHFFFAOYSA-N 2 2 250.346 0.648 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000333473882 278015853 /nfs/dbraw/zinc/01/58/53/278015853.db2.gz BEUFEZPVHJJLKE-RDBSUJKOSA-N 2 2 296.415 0.243 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1C[NH+]2CCN1CC2)[NH+]1CCCCCC1 ZINC000178785870 278152077 /nfs/dbraw/zinc/15/20/77/278152077.db2.gz PKWNSSYFXDZITH-HUUCEWRRSA-N 2 2 294.443 0.367 20 0 CCADLP CC(C[NH+]1CCNC(=O)CC1)C[N@@H+]1CCNC(=O)CC1 ZINC000329633353 278156264 /nfs/dbraw/zinc/15/62/64/278156264.db2.gz XBZJMURYCMQYPC-UHFFFAOYSA-N 2 2 282.388 0.947 20 0 CCADLP CC(C[NH+]1CCNC(=O)CC1)C[N@H+]1CCNC(=O)CC1 ZINC000329633353 278156267 /nfs/dbraw/zinc/15/62/67/278156267.db2.gz XBZJMURYCMQYPC-UHFFFAOYSA-N 2 2 282.388 0.947 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)C(C)C ZINC000130946842 278235972 /nfs/dbraw/zinc/23/59/72/278235972.db2.gz MAEMYEWZQJHMKT-KNCOVGOOSA-N 2 2 295.427 0.775 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)C(C)C ZINC000130946842 278235973 /nfs/dbraw/zinc/23/59/73/278235973.db2.gz MAEMYEWZQJHMKT-KNCOVGOOSA-N 2 2 295.427 0.775 20 0 CCADLP C[C@H](O)C[C@@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000123777691 278296784 /nfs/dbraw/zinc/29/67/84/278296784.db2.gz VOAQEBIKSICSJN-KBPBESRZSA-N 2 2 283.416 0.386 20 0 CCADLP C[C@H](O)C[C@@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000123777691 278296787 /nfs/dbraw/zinc/29/67/87/278296787.db2.gz VOAQEBIKSICSJN-KBPBESRZSA-N 2 2 283.416 0.386 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261874983 278364516 /nfs/dbraw/zinc/36/45/16/278364516.db2.gz ZMFSBOKHKBOPAY-QWRGUYRKSA-N 2 2 282.388 0.295 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261874983 278364520 /nfs/dbraw/zinc/36/45/20/278364520.db2.gz ZMFSBOKHKBOPAY-QWRGUYRKSA-N 2 2 282.388 0.295 20 0 CCADLP C[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@@H+]1CC(C)(C)O ZINC000283217489 278390972 /nfs/dbraw/zinc/39/09/72/278390972.db2.gz SBBXEGKUUXGJKQ-ITKZLYELSA-N 2 2 292.383 0.727 20 0 CCADLP C[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@H+]1CC(C)(C)O ZINC000283217489 278390975 /nfs/dbraw/zinc/39/09/75/278390975.db2.gz SBBXEGKUUXGJKQ-ITKZLYELSA-N 2 2 292.383 0.727 20 0 CCADLP CCC[NH2+]CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423314812 278841299 /nfs/dbraw/zinc/84/12/99/278841299.db2.gz WOGSEXPMJKUGLG-MGPQQGTHSA-N 3 2 255.406 0.733 20 0 CCADLP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000355151587 278870033 /nfs/dbraw/zinc/87/00/33/278870033.db2.gz QIGGWEYIEMPNOM-ZIAGYGMSSA-N 2 2 282.432 0.269 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000358175769 288091479 /nfs/dbraw/zinc/09/14/79/288091479.db2.gz MXNXKRPNQWMLSD-BNOWGMLFSA-N 2 2 253.390 0.389 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000358175769 288091481 /nfs/dbraw/zinc/09/14/81/288091481.db2.gz MXNXKRPNQWMLSD-BNOWGMLFSA-N 2 2 253.390 0.389 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000358175769 288091483 /nfs/dbraw/zinc/09/14/83/288091483.db2.gz MXNXKRPNQWMLSD-BNOWGMLFSA-N 2 2 253.390 0.389 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000358175769 288091485 /nfs/dbraw/zinc/09/14/85/288091485.db2.gz MXNXKRPNQWMLSD-BNOWGMLFSA-N 2 2 253.390 0.389 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000361417510 279218610 /nfs/dbraw/zinc/21/86/10/279218610.db2.gz OKPSAXSGRGIGQO-NEPJUHHUSA-N 2 2 282.388 0.378 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000361417510 279218611 /nfs/dbraw/zinc/21/86/11/279218611.db2.gz OKPSAXSGRGIGQO-NEPJUHHUSA-N 2 2 282.388 0.378 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2OCC[NH+](C)[C@H]2C1 ZINC000352185074 279266380 /nfs/dbraw/zinc/26/63/80/279266380.db2.gz ZHSJQKJWVXNOOU-RDBSUJKOSA-N 2 2 281.400 0.402 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2OCC[NH+](C)[C@H]2C1 ZINC000352185074 279266382 /nfs/dbraw/zinc/26/63/82/279266382.db2.gz ZHSJQKJWVXNOOU-RDBSUJKOSA-N 2 2 281.400 0.402 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000352185074 279266386 /nfs/dbraw/zinc/26/63/86/279266386.db2.gz ZHSJQKJWVXNOOU-RDBSUJKOSA-N 2 2 281.400 0.402 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000352185074 279266387 /nfs/dbraw/zinc/26/63/87/279266387.db2.gz ZHSJQKJWVXNOOU-RDBSUJKOSA-N 2 2 281.400 0.402 20 0 CCADLP CC(C)N(C(=O)C[N@H+](C)C[C@H](O)C[NH3+])C1CCCC1 ZINC000420350923 279272944 /nfs/dbraw/zinc/27/29/44/279272944.db2.gz ILNABGQXGWTJGJ-CYBMUJFWSA-N 2 2 271.405 0.417 20 0 CCADLP CC(C)N(C(=O)C[N@@H+](C)C[C@H](O)C[NH3+])C1CCCC1 ZINC000420350923 279272945 /nfs/dbraw/zinc/27/29/45/279272945.db2.gz ILNABGQXGWTJGJ-CYBMUJFWSA-N 2 2 271.405 0.417 20 0 CCADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000262296906 280057511 /nfs/dbraw/zinc/05/75/11/280057511.db2.gz PGVDLROJPGYLBS-OCCSQVGLSA-N 2 2 281.400 0.450 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000353520738 280071580 /nfs/dbraw/zinc/07/15/80/280071580.db2.gz OSGLAZGZDJNMQP-KFWWJZLASA-N 2 2 295.427 0.554 20 0 CCADLP Cc1cc(C[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)n(C)n1 ZINC000417896161 280491367 /nfs/dbraw/zinc/49/13/67/280491367.db2.gz HFGXTVBEAMJVBU-OAHLLOKOSA-N 2 2 280.416 0.911 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000353518221 280568883 /nfs/dbraw/zinc/56/88/83/280568883.db2.gz NBTIDEPELNBENY-KKUMJFAQSA-N 2 2 295.427 0.698 20 0 CCADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000423751012 281246586 /nfs/dbraw/zinc/24/65/86/281246586.db2.gz UNCJVXIQRJTMGS-CHWSQXEVSA-N 2 2 269.389 0.165 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000236694450 282072373 /nfs/dbraw/zinc/07/23/73/282072373.db2.gz XZYYPVMUURRRCO-STQMWFEESA-N 2 2 285.432 0.977 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000345744679 289343945 /nfs/dbraw/zinc/34/39/45/289343945.db2.gz ZZWRZKDLZAEYGV-NEPJUHHUSA-N 2 2 253.390 0.927 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000345744679 289343949 /nfs/dbraw/zinc/34/39/49/289343949.db2.gz ZZWRZKDLZAEYGV-NEPJUHHUSA-N 2 2 253.390 0.927 20 0 CCADLP C[C@H](C(=O)NC1CC1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000345744679 289343953 /nfs/dbraw/zinc/34/39/53/289343953.db2.gz ZZWRZKDLZAEYGV-NEPJUHHUSA-N 2 2 253.390 0.927 20 0 CCADLP C[C@H](C(=O)NC1CC1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000345744679 289343956 /nfs/dbraw/zinc/34/39/56/289343956.db2.gz ZZWRZKDLZAEYGV-NEPJUHHUSA-N 2 2 253.390 0.927 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152406663 289354969 /nfs/dbraw/zinc/35/49/69/289354969.db2.gz HUTMFVFSBQJXCJ-KFWWJZLASA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152406663 289354973 /nfs/dbraw/zinc/35/49/73/289354973.db2.gz HUTMFVFSBQJXCJ-KFWWJZLASA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152406663 289354978 /nfs/dbraw/zinc/35/49/78/289354978.db2.gz HUTMFVFSBQJXCJ-KFWWJZLASA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152406663 289354983 /nfs/dbraw/zinc/35/49/83/289354983.db2.gz HUTMFVFSBQJXCJ-KFWWJZLASA-N 2 2 297.443 0.944 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1CN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21 ZINC000353523676 290036555 /nfs/dbraw/zinc/03/65/55/290036555.db2.gz YFEUVMIPJPINTR-QKPAOTATSA-N 2 2 280.460 0.695 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1CN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21 ZINC000353523676 290036556 /nfs/dbraw/zinc/03/65/56/290036556.db2.gz YFEUVMIPJPINTR-QKPAOTATSA-N 2 2 280.460 0.695 20 0 CCADLP CN1CC[NH+](C)C[C@H]1CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353523676 290036559 /nfs/dbraw/zinc/03/65/59/290036559.db2.gz YFEUVMIPJPINTR-QKPAOTATSA-N 2 2 280.460 0.695 20 0 CCADLP CN1CC[NH+](C)C[C@H]1CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353523676 290036561 /nfs/dbraw/zinc/03/65/61/290036561.db2.gz YFEUVMIPJPINTR-QKPAOTATSA-N 2 2 280.460 0.695 20 0 CCADLP CC[N@H+](C[C@H](O)C[NH+](C)CCOC)[C@@H]1CCOC1 ZINC000386326336 336170958 /nfs/dbraw/zinc/17/09/58/336170958.db2.gz JIIGVQFWYPCBCQ-CHWSQXEVSA-N 2 2 260.378 0.036 20 0 CCADLP CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)[C@@H]1CCOC1 ZINC000386326336 336170960 /nfs/dbraw/zinc/17/09/60/336170960.db2.gz JIIGVQFWYPCBCQ-CHWSQXEVSA-N 2 2 260.378 0.036 20 0 CCADLP CC[NH+](C[C@H](O)C[N@H+](C)CCOC)[C@@H]1CCOC1 ZINC000386326336 336170961 /nfs/dbraw/zinc/17/09/61/336170961.db2.gz JIIGVQFWYPCBCQ-CHWSQXEVSA-N 2 2 260.378 0.036 20 0 CCADLP CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)[C@@H]1CCOC1 ZINC000386326336 336170963 /nfs/dbraw/zinc/17/09/63/336170963.db2.gz JIIGVQFWYPCBCQ-CHWSQXEVSA-N 2 2 260.378 0.036 20 0 CCADLP C[C@@H]1C[N@@H+]([C@H]2CCCN(c3ccn(C)n3)C2=O)CC[C@@H]1[NH3+] ZINC000430948920 297074328 /nfs/dbraw/zinc/07/43/28/297074328.db2.gz LWNNHBYZBAWDQZ-AGIUHOORSA-N 2 2 291.399 0.585 20 0 CCADLP C[C@@H]1C[N@H+]([C@H]2CCCN(c3ccn(C)n3)C2=O)CC[C@@H]1[NH3+] ZINC000430948920 297074331 /nfs/dbraw/zinc/07/43/31/297074331.db2.gz LWNNHBYZBAWDQZ-AGIUHOORSA-N 2 2 291.399 0.585 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC(C)(C)C[NH+](C)C ZINC000458302484 297127038 /nfs/dbraw/zinc/12/70/38/297127038.db2.gz KVXIZCXIACJWEY-GFCCVEGCSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC(C)(C)C[NH+](C)C ZINC000458302484 297127040 /nfs/dbraw/zinc/12/70/40/297127040.db2.gz KVXIZCXIACJWEY-GFCCVEGCSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCS(=O)(=O)C2)CC[N@@H+]1C ZINC000252165973 297287476 /nfs/dbraw/zinc/28/74/76/297287476.db2.gz QMBRHMGORMYGNL-WOPDTQHZSA-N 2 2 260.403 0.636 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCS(=O)(=O)C2)CC[N@H+]1C ZINC000252165973 297287479 /nfs/dbraw/zinc/28/74/79/297287479.db2.gz QMBRHMGORMYGNL-WOPDTQHZSA-N 2 2 260.403 0.636 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@](O)(C(F)(F)F)C1 ZINC000388773888 545086553 /nfs/dbraw/zinc/08/65/53/545086553.db2.gz PMCKERPFYFHQDD-GHMZBOCLSA-N 2 2 284.322 0.687 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@](O)(C(F)(F)F)C1 ZINC000388773888 545086554 /nfs/dbraw/zinc/08/65/54/545086554.db2.gz PMCKERPFYFHQDD-GHMZBOCLSA-N 2 2 284.322 0.687 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000388773888 545086555 /nfs/dbraw/zinc/08/65/55/545086555.db2.gz PMCKERPFYFHQDD-GHMZBOCLSA-N 2 2 284.322 0.687 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000388773888 545086556 /nfs/dbraw/zinc/08/65/56/545086556.db2.gz PMCKERPFYFHQDD-GHMZBOCLSA-N 2 2 284.322 0.687 20 0 CCADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC000389202987 545086801 /nfs/dbraw/zinc/08/68/01/545086801.db2.gz ZCPJMLKZDMZPPZ-STQMWFEESA-N 2 2 252.362 0.318 20 0 CCADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC000389202987 545086802 /nfs/dbraw/zinc/08/68/02/545086802.db2.gz ZCPJMLKZDMZPPZ-STQMWFEESA-N 2 2 252.362 0.318 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C)[NH+]1CCSCC1 ZINC000356834362 298049131 /nfs/dbraw/zinc/04/91/31/298049131.db2.gz AUNFKPKZMNDQRC-JHJVBQTASA-N 2 2 285.457 0.975 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C)[NH+]1CCSCC1 ZINC000356834362 298049134 /nfs/dbraw/zinc/04/91/34/298049134.db2.gz AUNFKPKZMNDQRC-JHJVBQTASA-N 2 2 285.457 0.975 20 0 CCADLP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420356994 298185667 /nfs/dbraw/zinc/18/56/67/298185667.db2.gz RMYLNDLNVFLZKM-NDBYEHHHSA-N 2 2 271.405 0.321 20 0 CCADLP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420356994 298185670 /nfs/dbraw/zinc/18/56/70/298185670.db2.gz RMYLNDLNVFLZKM-NDBYEHHHSA-N 2 2 271.405 0.321 20 0 CCADLP C[C@H](CCC[NH3+])NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000417523768 298397051 /nfs/dbraw/zinc/39/70/51/298397051.db2.gz RRHHHTNDYVWKKL-FRRDWIJNSA-N 2 2 286.420 0.522 20 0 CCADLP C[C@H](C[NH2+][C@H]1C[NH2+]CC[C@H]1C)CN1CC[NH+](C)CC1 ZINC000422720876 298793389 /nfs/dbraw/zinc/79/33/89/298793389.db2.gz UBEAHRONBTYIJZ-KFWWJZLASA-N 3 2 268.449 0.458 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC000279708788 300234267 /nfs/dbraw/zinc/23/42/67/300234267.db2.gz ANESJIFDXAGHFD-SMDDNHRTSA-N 2 2 276.384 0.952 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC000279708788 300234271 /nfs/dbraw/zinc/23/42/71/300234271.db2.gz ANESJIFDXAGHFD-SMDDNHRTSA-N 2 2 276.384 0.952 20 0 CCADLP OC[C@H](Cc1ccccc1)[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423054991 304830908 /nfs/dbraw/zinc/83/09/08/304830908.db2.gz CMKBARRWBVDLLI-ULQDDVLXSA-N 2 2 290.407 0.947 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2C=C[C@H](CO)C2)n1C ZINC000582097765 327851343 /nfs/dbraw/zinc/85/13/43/327851343.db2.gz ZKCBDOODJGMWIK-WDEREUQCSA-N 2 2 250.346 0.513 20 0 CCADLP CC[C@H]([NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1)[C@H](C)O ZINC000584173161 327057519 /nfs/dbraw/zinc/05/75/19/327057519.db2.gz WPRWQWFGQQSLSN-PEDHHIEDSA-N 2 2 274.405 0.206 20 0 CCADLP CC[N@H+](C)C[C@H](O)CN(C)Cc1cn2c([nH+]1)CCCC2 ZINC000565958900 327096877 /nfs/dbraw/zinc/09/68/77/327096877.db2.gz GPQUGQLJIAXOLX-AWEZNQCLSA-N 2 2 280.416 0.964 20 0 CCADLP CC[N@@H+](C)C[C@H](O)CN(C)Cc1cn2c([nH+]1)CCCC2 ZINC000565958900 327096878 /nfs/dbraw/zinc/09/68/78/327096878.db2.gz GPQUGQLJIAXOLX-AWEZNQCLSA-N 2 2 280.416 0.964 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1CCCC[C@H]1O ZINC000573739772 327254923 /nfs/dbraw/zinc/25/49/23/327254923.db2.gz CKZYYNVUHJJYDY-SOUVJXGZSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1CCCC[C@H]1O ZINC000573739772 327254924 /nfs/dbraw/zinc/25/49/24/327254924.db2.gz CKZYYNVUHJJYDY-SOUVJXGZSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000573739772 327254926 /nfs/dbraw/zinc/25/49/26/327254926.db2.gz CKZYYNVUHJJYDY-SOUVJXGZSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000573739772 327254927 /nfs/dbraw/zinc/25/49/27/327254927.db2.gz CKZYYNVUHJJYDY-SOUVJXGZSA-N 2 2 288.432 0.408 20 0 CCADLP [NH3+][C@H](C(=O)NC[C@@H]1C[NH2+]CCO1)c1c(F)cccc1F ZINC000573919924 327272403 /nfs/dbraw/zinc/27/24/03/327272403.db2.gz ZPMCXNJUDHHPSW-UFBFGSQYSA-N 2 2 285.294 0.069 20 0 CCADLP Cc1nn(C)c(C)c1NC(=O)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000582125165 327311064 /nfs/dbraw/zinc/31/10/64/327311064.db2.gz IRYWYIHMZFHJAQ-IMSIIYSGSA-N 2 2 293.415 0.952 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(C(=O)N(C)C)CCCC1 ZINC000583625126 328717011 /nfs/dbraw/zinc/71/70/11/328717011.db2.gz JNLKCDQJLSRVFM-KGLIPLIRSA-N 2 2 297.443 0.992 20 0 CCADLP C[N@@H+]1CCN(Cc2cnn(C(C)(C)C)c2)[C@H](C[NH3+])C1 ZINC000583693209 329003510 /nfs/dbraw/zinc/00/35/10/329003510.db2.gz FJVDKAWONRIYGZ-CYBMUJFWSA-N 2 2 265.405 0.713 20 0 CCADLP C[N@H+]1CCN(Cc2cnn(C(C)(C)C)c2)[C@H](C[NH3+])C1 ZINC000583693209 329003511 /nfs/dbraw/zinc/00/35/11/329003511.db2.gz FJVDKAWONRIYGZ-CYBMUJFWSA-N 2 2 265.405 0.713 20 0 CCADLP CC[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)CCOC)C[C@H](C)O1 ZINC000583092328 329314448 /nfs/dbraw/zinc/31/44/48/329314448.db2.gz LSFVVJIPMAVQGX-BFHYXJOUSA-N 2 2 274.405 0.425 20 0 CCADLP CC[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)CCOC)C[C@H](C)O1 ZINC000583092328 329314449 /nfs/dbraw/zinc/31/44/49/329314449.db2.gz LSFVVJIPMAVQGX-BFHYXJOUSA-N 2 2 274.405 0.425 20 0 CCADLP CC[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)CCOC)C[C@H](C)O1 ZINC000583092328 329314450 /nfs/dbraw/zinc/31/44/50/329314450.db2.gz LSFVVJIPMAVQGX-BFHYXJOUSA-N 2 2 274.405 0.425 20 0 CCADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000584468244 329491937 /nfs/dbraw/zinc/49/19/37/329491937.db2.gz GSHWBFQESPUTPP-MCIONIFRSA-N 2 2 298.431 0.618 20 0 CCADLP C[NH+]1CCC(CNC(=O)NCCCn2cc[nH+]c2)CC1 ZINC000171002045 330123069 /nfs/dbraw/zinc/12/30/69/330123069.db2.gz BDKKOUKHLJYECZ-UHFFFAOYSA-N 2 2 279.388 0.914 20 0 CCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NCc1c[nH+]cn1C)CC2 ZINC000580455679 330141786 /nfs/dbraw/zinc/14/17/86/330141786.db2.gz QMVDTCACHNARBX-NSHDSACASA-N 2 2 273.340 0.804 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000575107693 330863186 /nfs/dbraw/zinc/86/31/86/330863186.db2.gz LOHCYKKAVXRXTC-UTUOFQBUSA-N 2 2 295.387 0.684 20 0 CCADLP C[C@H]1C[C@H]1C[NH2+]C[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000575377045 335099305 /nfs/dbraw/zinc/09/93/05/335099305.db2.gz DYIWATUSDVZJFA-MQLXINIDSA-N 2 2 256.390 0.702 20 0 CCADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+]C(CO)CO ZINC000575812558 335118189 /nfs/dbraw/zinc/11/81/89/335118189.db2.gz NKVNDRZZSSFHLL-UHFFFAOYSA-N 2 2 261.325 0.624 20 0 CCADLP CC1(C)C[NH+](CC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000553497952 334388546 /nfs/dbraw/zinc/38/85/46/334388546.db2.gz XQEZNJWMKQKDIU-CQSZACIVSA-N 2 2 295.427 0.509 20 0 CCADLP C[C@@H](CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1cc[nH+]c1 ZINC000565601321 334578524 /nfs/dbraw/zinc/57/85/24/334578524.db2.gz XKEABGBVFBUYKY-AWEZNQCLSA-N 3 2 295.431 0.786 20 0 CCADLP [NH3+]CC(F)(F)CC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000572970247 334895931 /nfs/dbraw/zinc/89/59/31/334895931.db2.gz FKHCISJGZFFUIB-UHFFFAOYSA-N 2 2 298.337 0.710 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCc1nnnn1-c1ccccc1 ZINC000576338034 335190938 /nfs/dbraw/zinc/19/09/38/335190938.db2.gz COHVYQDTRKJWGC-TZMCWYRMSA-N 2 2 286.383 0.792 20 0 CCADLP COc1ccc(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)c(OC)n1 ZINC000576578019 335221142 /nfs/dbraw/zinc/22/11/42/335221142.db2.gz ANCCJDATQQXHBC-ZDUSSCGKSA-N 2 2 295.383 0.644 20 0 CCADLP COc1ccc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c(OC)n1 ZINC000576578019 335221143 /nfs/dbraw/zinc/22/11/43/335221143.db2.gz ANCCJDATQQXHBC-ZDUSSCGKSA-N 2 2 295.383 0.644 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)N(C)Cc2cnn(C)c2)CC[C@H]1[NH3+] ZINC000576587725 335223098 /nfs/dbraw/zinc/22/30/98/335223098.db2.gz MNWMVWIJWMNQQQ-WCQYABFASA-N 2 2 279.388 0.048 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)N(C)Cc2cnn(C)c2)CC[C@H]1[NH3+] ZINC000576587725 335223100 /nfs/dbraw/zinc/22/31/00/335223100.db2.gz MNWMVWIJWMNQQQ-WCQYABFASA-N 2 2 279.388 0.048 20 0 CCADLP [NH3+]C1(C[NH2+]CC(=O)NC(=O)NC2CCCC2)CCC1 ZINC000576704293 335237224 /nfs/dbraw/zinc/23/72/24/335237224.db2.gz JOVWJBDDQAKVKT-UHFFFAOYSA-N 2 2 268.361 0.226 20 0 CCADLP COc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c(F)c1 ZINC000576997522 335275785 /nfs/dbraw/zinc/27/57/85/335275785.db2.gz PUMNOQRRYYNUBD-AWEZNQCLSA-N 2 2 268.332 0.991 20 0 CCADLP COc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c(F)c1 ZINC000576997522 335275786 /nfs/dbraw/zinc/27/57/86/335275786.db2.gz PUMNOQRRYYNUBD-AWEZNQCLSA-N 2 2 268.332 0.991 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000379977366 335283481 /nfs/dbraw/zinc/28/34/81/335283481.db2.gz SLETXECBXZFENP-JVLSTEMRSA-N 2 2 292.383 0.867 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000577060106 335293040 /nfs/dbraw/zinc/29/30/40/335293040.db2.gz HQAKICVKYQUEKN-SCZZXKLOSA-N 2 2 256.375 0.599 20 0 CCADLP Cn1c[nH+]cc1CC(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000577088667 335298020 /nfs/dbraw/zinc/29/80/20/335298020.db2.gz UOKULXIHOFKXNL-UHFFFAOYSA-N 2 2 282.307 0.604 20 0 CCADLP C[NH2+][C@@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000580644428 335310221 /nfs/dbraw/zinc/31/02/21/335310221.db2.gz OUZABSIZQYWGJR-LLVKDONJSA-N 2 2 271.324 0.701 20 0 CCADLP C[C@@H](O)[C@H]1CCN(c2cc(N3CC([NH+](C)C)C3)nc[nH+]2)C1 ZINC000577469242 335355672 /nfs/dbraw/zinc/35/56/72/335355672.db2.gz NBQBFYBLWSQRBY-NEPJUHHUSA-N 2 2 291.399 0.434 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+](C)CC(=O)NCc1cccs1 ZINC000577641990 335384917 /nfs/dbraw/zinc/38/49/17/335384917.db2.gz YXSVREUJZPPFFK-ZDUSSCGKSA-N 2 2 285.413 0.267 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+](C)CC(=O)NCc1cccs1 ZINC000577641990 335384918 /nfs/dbraw/zinc/38/49/18/335384918.db2.gz YXSVREUJZPPFFK-ZDUSSCGKSA-N 2 2 285.413 0.267 20 0 CCADLP C[N@@H+]1CCN(C(=O)Nc2cncc(F)c2)[C@@H](C[NH3+])C1 ZINC000577721818 335392009 /nfs/dbraw/zinc/39/20/09/335392009.db2.gz PYGVFBVGZMIXKV-NSHDSACASA-N 2 2 267.308 0.327 20 0 CCADLP C[N@H+]1CCN(C(=O)Nc2cncc(F)c2)[C@@H](C[NH3+])C1 ZINC000577721818 335392010 /nfs/dbraw/zinc/39/20/10/335392010.db2.gz PYGVFBVGZMIXKV-NSHDSACASA-N 2 2 267.308 0.327 20 0 CCADLP O=C(NCCCCn1cc[nH+]c1)N[C@H]1CC[NH2+]C1 ZINC000577748149 335396805 /nfs/dbraw/zinc/39/68/05/335396805.db2.gz NGOAUYNXTNCXKO-NSHDSACASA-N 2 2 251.334 0.324 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC[C@@H]2CO)CC1 ZINC000179279948 335485398 /nfs/dbraw/zinc/48/53/98/335485398.db2.gz NQBOOZVVNLKGSE-CQSZACIVSA-N 2 2 298.431 0.179 20 0 CCADLP C[C@H]1CCN(c2nc3c(cnn3C)c(N)[nH+]2)C[C@H]1C[NH3+] ZINC000578851575 335680434 /nfs/dbraw/zinc/68/04/34/335680434.db2.gz QTEDSVQFPOPICQ-DTWKUNHWSA-N 2 2 275.360 0.367 20 0 CCADLP C[C@H](N1CC[NH+](CCN2CC[NH2+]CC2)CC1)C(F)(F)F ZINC000578872860 335683153 /nfs/dbraw/zinc/68/31/53/335683153.db2.gz COFWXQPYMURRCN-LBPRGKRZSA-N 2 2 294.365 0.460 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](CCO)C1CCCCC1 ZINC000380692556 336017813 /nfs/dbraw/zinc/01/78/13/336017813.db2.gz MCAQEQFOYVXKTO-HNNXBMFYSA-N 2 2 288.432 0.553 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](CCO)C1CCCCC1 ZINC000380692556 336017814 /nfs/dbraw/zinc/01/78/14/336017814.db2.gz MCAQEQFOYVXKTO-HNNXBMFYSA-N 2 2 288.432 0.553 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](CCO)C1CCCCC1 ZINC000380692556 336017815 /nfs/dbraw/zinc/01/78/15/336017815.db2.gz MCAQEQFOYVXKTO-HNNXBMFYSA-N 2 2 288.432 0.553 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](CCO)C1CCCCC1 ZINC000380692556 336017816 /nfs/dbraw/zinc/01/78/16/336017816.db2.gz MCAQEQFOYVXKTO-HNNXBMFYSA-N 2 2 288.432 0.553 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCCc3occc32)[C@H](C[NH3+])C1 ZINC000581180391 336020093 /nfs/dbraw/zinc/02/00/93/336020093.db2.gz GCNMMXMWKAEEHG-DGCLKSJQSA-N 2 2 292.383 0.941 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCCc3occc32)[C@H](C[NH3+])C1 ZINC000581180391 336020094 /nfs/dbraw/zinc/02/00/94/336020094.db2.gz GCNMMXMWKAEEHG-DGCLKSJQSA-N 2 2 292.383 0.941 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@H](CO)Cc1ccccc1)C1CC1 ZINC000380905007 336038915 /nfs/dbraw/zinc/03/89/15/336038915.db2.gz HLWJFFHRHQNDHY-HOCLYGCPSA-N 2 2 278.396 0.635 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H](CO)Cc1ccccc1)C1CC1 ZINC000380905007 336038916 /nfs/dbraw/zinc/03/89/16/336038916.db2.gz HLWJFFHRHQNDHY-HOCLYGCPSA-N 2 2 278.396 0.635 20 0 CCADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@H]1CC[NH2+]1 ZINC000384754192 336130577 /nfs/dbraw/zinc/13/05/77/336130577.db2.gz DFHWTXZJAHKPCI-OAHLLOKOSA-N 2 2 289.379 0.497 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CCO1 ZINC000417429719 545093913 /nfs/dbraw/zinc/09/39/13/545093913.db2.gz WAJBGJQAZJLULN-OLZOCXBDSA-N 2 2 298.431 0.666 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CCO1 ZINC000417429719 545093914 /nfs/dbraw/zinc/09/39/14/545093914.db2.gz WAJBGJQAZJLULN-OLZOCXBDSA-N 2 2 298.431 0.666 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000449347838 545096476 /nfs/dbraw/zinc/09/64/76/545096476.db2.gz RXKHPOLYLAGGOR-XQHKEYJVSA-N 2 2 269.389 0.339 20 0 CCADLP C[C@H]1C[C@@H](CO)C[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425367995 534091800 /nfs/dbraw/zinc/09/18/00/534091800.db2.gz JHWDHPCKSCHDFM-NWDGAFQWSA-N 2 2 266.389 0.936 20 0 CCADLP C[C@H]1C[C@@H](CO)C[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425367995 534091808 /nfs/dbraw/zinc/09/18/08/534091808.db2.gz JHWDHPCKSCHDFM-NWDGAFQWSA-N 2 2 266.389 0.936 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000372672329 535761929 /nfs/dbraw/zinc/76/19/29/535761929.db2.gz CQJOQLHESCQAAW-LBPRGKRZSA-N 2 2 266.345 0.110 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000372672329 535761935 /nfs/dbraw/zinc/76/19/35/535761935.db2.gz CQJOQLHESCQAAW-LBPRGKRZSA-N 2 2 266.345 0.110 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000333845725 534111512 /nfs/dbraw/zinc/11/15/12/534111512.db2.gz WENURNOAFGGYQT-STQMWFEESA-N 2 2 296.415 0.291 20 0 CCADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493691467 534277413 /nfs/dbraw/zinc/27/74/13/534277413.db2.gz SPBPZWNXFHYDTF-OPVGQWETSA-N 2 2 278.356 0.336 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493691467 534277417 /nfs/dbraw/zinc/27/74/17/534277417.db2.gz SPBPZWNXFHYDTF-OPVGQWETSA-N 2 2 278.356 0.336 20 0 CCADLP Cc1nc(N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000419002026 534436406 /nfs/dbraw/zinc/43/64/06/534436406.db2.gz LXNUOLZOFAVAFZ-QWRGUYRKSA-N 2 2 294.403 0.137 20 0 CCADLP Cc1nc(N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000419002026 534436411 /nfs/dbraw/zinc/43/64/11/534436411.db2.gz LXNUOLZOFAVAFZ-QWRGUYRKSA-N 2 2 294.403 0.137 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000163883015 520636787 /nfs/dbraw/zinc/63/67/87/520636787.db2.gz CAYYABHRJABAHL-VXGBXAGGSA-N 2 2 284.404 0.529 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000163883015 520636795 /nfs/dbraw/zinc/63/67/95/520636795.db2.gz CAYYABHRJABAHL-VXGBXAGGSA-N 2 2 284.404 0.529 20 0 CCADLP O=C(C[NH2+]CC1CC1)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424162120 534591123 /nfs/dbraw/zinc/59/11/23/534591123.db2.gz CBXOAIPKSFQNFR-SNVBAGLBSA-N 2 2 261.316 0.347 20 0 CCADLP CN(C)c1ncc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000357117478 522343332 /nfs/dbraw/zinc/34/33/32/522343332.db2.gz INAWWEQXFAXBCR-QWHCGFSZSA-N 2 2 261.373 0.584 20 0 CCADLP CN(C)c1ncc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000357117478 522343342 /nfs/dbraw/zinc/34/33/42/522343342.db2.gz INAWWEQXFAXBCR-QWHCGFSZSA-N 2 2 261.373 0.584 20 0 CCADLP COC[C@@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000364736534 522424098 /nfs/dbraw/zinc/42/40/98/522424098.db2.gz DVBVCOLREDILQU-CWRNSKLLSA-N 2 2 293.411 0.889 20 0 CCADLP COC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000364736534 522424110 /nfs/dbraw/zinc/42/41/10/522424110.db2.gz DVBVCOLREDILQU-CWRNSKLLSA-N 2 2 293.411 0.889 20 0 CCADLP O=C([C@H]1COCC[N@@H+]1CC1CCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423611084 534641062 /nfs/dbraw/zinc/64/10/62/534641062.db2.gz RLWXTPWAVCIKTK-QLFBSQMISA-N 2 2 293.411 0.165 20 0 CCADLP O=C([C@H]1COCC[N@H+]1CC1CCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423611084 534641065 /nfs/dbraw/zinc/64/10/65/534641065.db2.gz RLWXTPWAVCIKTK-QLFBSQMISA-N 2 2 293.411 0.165 20 0 CCADLP COCCCNC(=O)C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365663001 523323065 /nfs/dbraw/zinc/32/30/65/523323065.db2.gz LDTROCKYUSIBCG-CYBMUJFWSA-N 2 2 294.399 0.752 20 0 CCADLP COCCCNC(=O)C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365663001 523323076 /nfs/dbraw/zinc/32/30/76/523323076.db2.gz LDTROCKYUSIBCG-CYBMUJFWSA-N 2 2 294.399 0.752 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@]3(CCCOC3)C2)CC1 ZINC000357309323 523872914 /nfs/dbraw/zinc/87/29/14/523872914.db2.gz RBURAIJBNLUNQN-MRXNPFEDSA-N 2 2 295.427 0.653 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@]3(CCCOC3)C2)CC1 ZINC000357309323 523872924 /nfs/dbraw/zinc/87/29/24/523872924.db2.gz RBURAIJBNLUNQN-MRXNPFEDSA-N 2 2 295.427 0.653 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000424156199 534789266 /nfs/dbraw/zinc/78/92/66/534789266.db2.gz OAKDHQRWNBTUCO-JTQLQIEISA-N 2 2 288.355 0.540 20 0 CCADLP Cc1nn(C)cc1C[N@H+](CCO)C1CC[NH+](C)CC1 ZINC000305741525 534832848 /nfs/dbraw/zinc/83/28/48/534832848.db2.gz ZZDTVWSMFGFWJB-UHFFFAOYSA-N 2 2 266.389 0.617 20 0 CCADLP Cc1nn(C)cc1C[N@@H+](CCO)C1CC[NH+](C)CC1 ZINC000305741525 534832850 /nfs/dbraw/zinc/83/28/50/534832850.db2.gz ZZDTVWSMFGFWJB-UHFFFAOYSA-N 2 2 266.389 0.617 20 0 CCADLP C[C@H](CC(=O)NCC[NH+]1CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000155972797 526238471 /nfs/dbraw/zinc/23/84/71/526238471.db2.gz WPVYGJRWMJTHBE-ZIAGYGMSSA-N 2 2 283.416 0.461 20 0 CCADLP C[N@@H+]1CCO[C@H]2CCN(c3nc[nH+]c4c3OCCN4)C[C@H]21 ZINC000665717750 545105010 /nfs/dbraw/zinc/10/50/10/545105010.db2.gz CITPIJXHVUNIJJ-MNOVXSKESA-N 2 2 291.355 0.190 20 0 CCADLP C[N@H+]1CCO[C@H]2CCN(c3nc[nH+]c4c3OCCN4)C[C@H]21 ZINC000665717750 545105011 /nfs/dbraw/zinc/10/50/11/545105011.db2.gz CITPIJXHVUNIJJ-MNOVXSKESA-N 2 2 291.355 0.190 20 0 CCADLP C[C@@H]1CN(c2nc[nH+]c3c2OCCN3)C[C@H](C)[N@H+]1C ZINC000665721002 545105475 /nfs/dbraw/zinc/10/54/75/545105475.db2.gz JROBVYVSUTYQMJ-AOOOYVTPSA-N 2 2 263.345 0.810 20 0 CCADLP C[C@@H]1CN(c2nc[nH+]c3c2OCCN3)C[C@H](C)[N@@H+]1C ZINC000665721002 545105476 /nfs/dbraw/zinc/10/54/76/545105476.db2.gz JROBVYVSUTYQMJ-AOOOYVTPSA-N 2 2 263.345 0.810 20 0 CCADLP CO[C@H]1C[C@@H](CN(C)c2nc[nH+]c3c2OCCN3)[N@H+](C)C1 ZINC000665718451 545105738 /nfs/dbraw/zinc/10/57/38/545105738.db2.gz WEASTSXJAKDKEK-QWRGUYRKSA-N 2 2 293.371 0.436 20 0 CCADLP CO[C@H]1C[C@@H](CN(C)c2nc[nH+]c3c2OCCN3)[N@@H+](C)C1 ZINC000665718451 545105739 /nfs/dbraw/zinc/10/57/39/545105739.db2.gz WEASTSXJAKDKEK-QWRGUYRKSA-N 2 2 293.371 0.436 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1COCC[NH2+]1 ZINC000370763876 526919892 /nfs/dbraw/zinc/91/98/92/526919892.db2.gz QONSWJWEDGLJTN-YPMHNXCESA-N 2 2 267.373 0.108 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1COCC[NH2+]1 ZINC000370763876 526919898 /nfs/dbraw/zinc/91/98/98/526919898.db2.gz QONSWJWEDGLJTN-YPMHNXCESA-N 2 2 267.373 0.108 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000666810843 545131563 /nfs/dbraw/zinc/13/15/63/545131563.db2.gz VQULDIKTQKTTEK-SMDDNHRTSA-N 2 2 276.384 0.971 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000666810843 545131564 /nfs/dbraw/zinc/13/15/64/545131564.db2.gz VQULDIKTQKTTEK-SMDDNHRTSA-N 2 2 276.384 0.971 20 0 CCADLP O=C(C[C@@H]1CSCC[NH2+]1)NCCc1[nH]cc[nH+]1 ZINC000157816245 527133516 /nfs/dbraw/zinc/13/35/16/527133516.db2.gz JMBPLHLNIPXMGQ-SECBINFHSA-N 2 2 254.359 0.164 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](CCCOCC(F)(F)F)CCO1 ZINC000049312111 527220308 /nfs/dbraw/zinc/22/03/08/527220308.db2.gz GCKGKNBXBWRENS-SECBINFHSA-N 2 2 256.268 0.615 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](CCCOCC(F)(F)F)CCO1 ZINC000049312111 527220316 /nfs/dbraw/zinc/22/03/16/527220316.db2.gz GCKGKNBXBWRENS-SECBINFHSA-N 2 2 256.268 0.615 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CCCOCC(F)(F)F)CCO1 ZINC000049312112 527240179 /nfs/dbraw/zinc/24/01/79/527240179.db2.gz GCKGKNBXBWRENS-VIFPVBQESA-N 2 2 256.268 0.615 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](CCCOCC(F)(F)F)CCO1 ZINC000049312112 527240174 /nfs/dbraw/zinc/24/01/74/527240174.db2.gz GCKGKNBXBWRENS-VIFPVBQESA-N 2 2 256.268 0.615 20 0 CCADLP Cc1[nH+]cc(CN2CC[NH+](CC(=O)NC3CC3)CC2)n1C ZINC000667488087 545148621 /nfs/dbraw/zinc/14/86/21/545148621.db2.gz RSOXYAOMIPJAIF-UHFFFAOYSA-N 2 2 291.399 0.125 20 0 CCADLP CCn1ccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000667718831 545155199 /nfs/dbraw/zinc/15/51/99/545155199.db2.gz MTQURXMBRCZSFN-UHFFFAOYSA-N 2 2 296.419 0.908 20 0 CCADLP CCn1ccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000667718831 545155200 /nfs/dbraw/zinc/15/52/00/545155200.db2.gz MTQURXMBRCZSFN-UHFFFAOYSA-N 2 2 296.419 0.908 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667861822 545157791 /nfs/dbraw/zinc/15/77/91/545157791.db2.gz DKCUESXHDTWALP-MCIONIFRSA-N 2 2 253.390 0.389 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667861822 545157792 /nfs/dbraw/zinc/15/77/92/545157792.db2.gz DKCUESXHDTWALP-MCIONIFRSA-N 2 2 253.390 0.389 20 0 CCADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)n1C ZINC000668041983 545162268 /nfs/dbraw/zinc/16/22/68/545162268.db2.gz FOPDOOVVDUCULI-WCFLWFBJSA-N 2 2 262.357 0.814 20 0 CCADLP Cc1[nH+]cc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)n1C ZINC000668041983 545162269 /nfs/dbraw/zinc/16/22/69/545162269.db2.gz FOPDOOVVDUCULI-WCFLWFBJSA-N 2 2 262.357 0.814 20 0 CCADLP Cc1[nH+]cc(CN2CC[N@@H+](CCO)C[C@H]2C)n1C ZINC000668228442 545168500 /nfs/dbraw/zinc/16/85/00/545168500.db2.gz IUUHQIADULCBAZ-LLVKDONJSA-N 2 2 252.362 0.227 20 0 CCADLP Cc1[nH+]cc(CN2CC[N@H+](CCO)C[C@H]2C)n1C ZINC000668228442 545168501 /nfs/dbraw/zinc/16/85/01/545168501.db2.gz IUUHQIADULCBAZ-LLVKDONJSA-N 2 2 252.362 0.227 20 0 CCADLP CNC(=O)NC1CC[NH+](Cc2c[nH+]c(C)n2C)CC1 ZINC000668240491 545169155 /nfs/dbraw/zinc/16/91/55/545169155.db2.gz KDRBBDDNVKJXMH-UHFFFAOYSA-N 2 2 265.361 0.622 20 0 CCADLP O[C@@H](CNCc1[nH]cc[nH+]1)C[N@@H+]1CCc2ccccc2C1 ZINC000067671829 527652656 /nfs/dbraw/zinc/65/26/56/527652656.db2.gz WSCBZZVOVHUQOU-HNNXBMFYSA-N 2 2 286.379 0.919 20 0 CCADLP O[C@@H](CNCc1[nH]cc[nH+]1)C[N@H+]1CCc2ccccc2C1 ZINC000067671829 527652659 /nfs/dbraw/zinc/65/26/59/527652659.db2.gz WSCBZZVOVHUQOU-HNNXBMFYSA-N 2 2 286.379 0.919 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](Cc2cnn3c2CCC3)CC1 ZINC000668792019 545190770 /nfs/dbraw/zinc/19/07/70/545190770.db2.gz HYLUQCJBVARZRP-UHFFFAOYSA-N 2 2 286.383 0.885 20 0 CCADLP CCn1nccc1C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000668792695 545190905 /nfs/dbraw/zinc/19/09/05/545190905.db2.gz HHDULKXLGGBQIA-UHFFFAOYSA-N 2 2 274.372 0.959 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000423872944 527894799 /nfs/dbraw/zinc/89/47/99/527894799.db2.gz QRPZGCUXQXONHB-IUODEOHRSA-N 2 2 293.415 0.753 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)C2([NH3+])CCC2)CC1 ZINC000449354500 527958542 /nfs/dbraw/zinc/95/85/42/527958542.db2.gz ODZRAVWFTXHUAI-UHFFFAOYSA-N 2 2 269.389 0.437 20 0 CCADLP Cc1ccn2cc(CNC(=O)NC[C@@H](C)[NH3+])[nH+]c2c1 ZINC000669402342 545206880 /nfs/dbraw/zinc/20/68/80/545206880.db2.gz XPIAGTQKTPEKND-SNVBAGLBSA-N 2 2 261.329 0.789 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000669461686 545208912 /nfs/dbraw/zinc/20/89/12/545208912.db2.gz PNLNBZARUFAUMW-STQMWFEESA-N 2 2 284.404 0.148 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000669461686 545208913 /nfs/dbraw/zinc/20/89/13/545208913.db2.gz PNLNBZARUFAUMW-STQMWFEESA-N 2 2 284.404 0.148 20 0 CCADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cnn[nH]2)C1 ZINC000450455651 528147078 /nfs/dbraw/zinc/14/70/78/528147078.db2.gz QXTGDDRLYCFOQK-CYBMUJFWSA-N 2 2 267.377 0.737 20 0 CCADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cnn[nH]2)C1 ZINC000450455651 528147086 /nfs/dbraw/zinc/14/70/86/528147086.db2.gz QXTGDDRLYCFOQK-CYBMUJFWSA-N 2 2 267.377 0.737 20 0 CCADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2c[nH]nn2)C1 ZINC000450455651 528147090 /nfs/dbraw/zinc/14/70/90/528147090.db2.gz QXTGDDRLYCFOQK-CYBMUJFWSA-N 2 2 267.377 0.737 20 0 CCADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c[nH]nn2)C1 ZINC000450455651 528147096 /nfs/dbraw/zinc/14/70/96/528147096.db2.gz QXTGDDRLYCFOQK-CYBMUJFWSA-N 2 2 267.377 0.737 20 0 CCADLP CCC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000450433190 528247754 /nfs/dbraw/zinc/24/77/54/528247754.db2.gz DGWOSWWTTLZWOX-KBPBESRZSA-N 2 2 256.390 0.802 20 0 CCADLP CCC[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000450433190 528247757 /nfs/dbraw/zinc/24/77/57/528247757.db2.gz DGWOSWWTTLZWOX-KBPBESRZSA-N 2 2 256.390 0.802 20 0 CCADLP CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@@H]2[NH3+])c[nH+]1 ZINC000424130846 528306070 /nfs/dbraw/zinc/30/60/70/528306070.db2.gz ICTARZYZHDLBAD-NEPJUHHUSA-N 2 2 262.357 0.891 20 0 CCADLP CN(C)c1c[nH+]ccc1NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000670082396 545228384 /nfs/dbraw/zinc/22/83/84/545228384.db2.gz NDBQHDLOPOZDTD-LLVKDONJSA-N 2 2 277.372 0.785 20 0 CCADLP CN(C)c1c[nH+]ccc1NC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000670082396 545228385 /nfs/dbraw/zinc/22/83/85/545228385.db2.gz NDBQHDLOPOZDTD-LLVKDONJSA-N 2 2 277.372 0.785 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000423777234 528536169 /nfs/dbraw/zinc/53/61/69/528536169.db2.gz FTGBJBUCVYKMCV-LBPRGKRZSA-N 2 2 291.399 0.822 20 0 CCADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986520 545241257 /nfs/dbraw/zinc/24/12/57/545241257.db2.gz FLQZNOYZJFEIJM-NEPJUHHUSA-N 2 2 255.362 0.047 20 0 CCADLP C[C@H](C(N)=O)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986520 545241258 /nfs/dbraw/zinc/24/12/58/545241258.db2.gz FLQZNOYZJFEIJM-NEPJUHHUSA-N 2 2 255.362 0.047 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000423934721 528650137 /nfs/dbraw/zinc/65/01/37/528650137.db2.gz WPWXSDUASIRHMN-QWHCGFSZSA-N 2 2 283.416 0.683 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000423934721 528650140 /nfs/dbraw/zinc/65/01/40/528650140.db2.gz WPWXSDUASIRHMN-QWHCGFSZSA-N 2 2 283.416 0.683 20 0 CCADLP CC[N@H+](C[C@H](C)OC)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000361561482 528725474 /nfs/dbraw/zinc/72/54/74/528725474.db2.gz AFZIKGYADDMVBS-KBPBESRZSA-N 2 2 285.432 0.896 20 0 CCADLP CC[N@@H+](C[C@H](C)OC)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000361561482 528725484 /nfs/dbraw/zinc/72/54/84/528725484.db2.gz AFZIKGYADDMVBS-KBPBESRZSA-N 2 2 285.432 0.896 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449659223 528814937 /nfs/dbraw/zinc/81/49/37/528814937.db2.gz VMWCYNWWDDNHKZ-SRVKXCTJSA-N 2 2 289.370 0.982 20 0 CCADLP CC[NH+]1CCC(CCNC(=O)[C@@H]2COCC[N@@H+]2CC)CC1 ZINC000367297144 528965913 /nfs/dbraw/zinc/96/59/13/528965913.db2.gz XTCWECWWWLOIAK-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP CC[NH+]1CCC(CCNC(=O)[C@@H]2COCC[N@H+]2CC)CC1 ZINC000367297144 528965922 /nfs/dbraw/zinc/96/59/22/528965922.db2.gz XTCWECWWWLOIAK-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCC[NH+](C)C ZINC000672663664 545271109 /nfs/dbraw/zinc/27/11/09/545271109.db2.gz VBRFWSCLTLELNE-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP CCOC[C@H](C)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000427850384 528975545 /nfs/dbraw/zinc/97/55/45/528975545.db2.gz PJFDMNFXIJZQRF-HNNXBMFYSA-N 2 2 299.459 0.798 20 0 CCADLP CCOC[C@H](C)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000427850384 528975551 /nfs/dbraw/zinc/97/55/51/528975551.db2.gz PJFDMNFXIJZQRF-HNNXBMFYSA-N 2 2 299.459 0.798 20 0 CCADLP CCOC(=O)N1CC[C@H]([NH2+][C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000495463039 529022312 /nfs/dbraw/zinc/02/23/12/529022312.db2.gz DPEZWWRSTSFQSE-GRYCIOLGSA-N 2 2 255.362 0.757 20 0 CCADLP CCOC(=O)N1CC[C@H]([NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000495463039 529022318 /nfs/dbraw/zinc/02/23/18/529022318.db2.gz DPEZWWRSTSFQSE-GRYCIOLGSA-N 2 2 255.362 0.757 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000428045510 529132321 /nfs/dbraw/zinc/13/23/21/529132321.db2.gz QEWVBGHPUMUNHT-RRFJBIMHSA-N 3 2 294.443 0.223 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000428045510 529132323 /nfs/dbraw/zinc/13/23/23/529132323.db2.gz QEWVBGHPUMUNHT-RRFJBIMHSA-N 3 2 294.443 0.223 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)[C@@H]2CCCC[C@H]2O)CC1 ZINC000426205416 529132541 /nfs/dbraw/zinc/13/25/41/529132541.db2.gz WLZFGHVTGIVIOM-RRFJBIMHSA-N 2 2 297.443 0.774 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)[C@@H]2CCCC[C@H]2O)CC1 ZINC000426205416 529132543 /nfs/dbraw/zinc/13/25/43/529132543.db2.gz WLZFGHVTGIVIOM-RRFJBIMHSA-N 2 2 297.443 0.774 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449649814 529249113 /nfs/dbraw/zinc/24/91/13/529249113.db2.gz XTLWAWHNWPUTBM-GUBZILKMSA-N 2 2 263.332 0.721 20 0 CCADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCc1c[nH+]c[nH]1 ZINC000673934807 545296771 /nfs/dbraw/zinc/29/67/71/545296771.db2.gz IRKPCMZIAALWCO-CYBMUJFWSA-N 2 2 280.372 0.819 20 0 CCADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCc1c[nH]c[nH+]1 ZINC000673934807 545296772 /nfs/dbraw/zinc/29/67/72/545296772.db2.gz IRKPCMZIAALWCO-CYBMUJFWSA-N 2 2 280.372 0.819 20 0 CCADLP CC[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CC[N@@H+]1C[C@@H](C)O ZINC000493535659 529346702 /nfs/dbraw/zinc/34/67/02/529346702.db2.gz ZXTZPWYOYFUAPT-IJWDBEHRSA-N 2 2 292.383 0.727 20 0 CCADLP CC[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CC[N@H+]1C[C@@H](C)O ZINC000493535659 529346704 /nfs/dbraw/zinc/34/67/04/529346704.db2.gz ZXTZPWYOYFUAPT-IJWDBEHRSA-N 2 2 292.383 0.727 20 0 CCADLP C[C@H](NC(=O)[C@H](C)[NH+](C)C)[C@H](C)[NH+]1CCOCC1 ZINC000674287372 545302554 /nfs/dbraw/zinc/30/25/54/545302554.db2.gz ADTZTBMXVWCXJD-SRVKXCTJSA-N 2 2 257.378 0.162 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@H](C)[NH+](C)C)N1CC[NH+](C)CC1 ZINC000674289382 545303088 /nfs/dbraw/zinc/30/30/88/545303088.db2.gz GMPNXXSUSPOERQ-UONOGXRCSA-N 2 2 284.448 0.325 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@H](C)[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000674289382 545303089 /nfs/dbraw/zinc/30/30/89/545303089.db2.gz GMPNXXSUSPOERQ-UONOGXRCSA-N 2 2 284.448 0.325 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000342118010 535162689 /nfs/dbraw/zinc/16/26/89/535162689.db2.gz ZXIGPXZKFGQFTD-JTQLQIEISA-N 2 2 270.377 0.328 20 0 CCADLP CC(C)COC[C@H](O)C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422967787 535200182 /nfs/dbraw/zinc/20/01/82/535200182.db2.gz CNWVSNCRTPTNAM-ILXRZTDVSA-N 2 2 286.416 0.377 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000269248616 535209854 /nfs/dbraw/zinc/20/98/54/535209854.db2.gz FZYMFKFIRVEQCV-CYBMUJFWSA-N 2 2 295.387 0.137 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCOC)CC1 ZINC000349101829 535363030 /nfs/dbraw/zinc/36/30/30/535363030.db2.gz ZRNKLTUVWZWXRX-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCOC)CC1 ZINC000349101829 535363032 /nfs/dbraw/zinc/36/30/32/535363032.db2.gz ZRNKLTUVWZWXRX-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP CCOC[C@@H](O)C[NH+]1CCN(c2cccc(C)[nH+]2)CC1 ZINC000675901765 545332498 /nfs/dbraw/zinc/33/24/98/545332498.db2.gz NSUMVZHIWFSIFE-AWEZNQCLSA-N 2 2 279.384 0.909 20 0 CCADLP CC[NH+]1CCC(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000262930319 535472065 /nfs/dbraw/zinc/47/20/65/535472065.db2.gz HTTGPROIFPABST-JTQLQIEISA-N 2 2 261.316 0.584 20 0 CCADLP C[C@H](CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000676249375 545338874 /nfs/dbraw/zinc/33/88/74/545338874.db2.gz DHUMWRWKJCISMR-CWVYHPPDSA-N 4 2 278.444 0.067 20 0 CCADLP C[C@H](CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000676249375 545338875 /nfs/dbraw/zinc/33/88/75/545338875.db2.gz DHUMWRWKJCISMR-CWVYHPPDSA-N 4 2 278.444 0.067 20 0 CCADLP CCOCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360554319 535538993 /nfs/dbraw/zinc/53/89/93/535538993.db2.gz VWOVKHWKFDLWSC-UKRRQHHQSA-N 2 2 283.416 0.603 20 0 CCADLP CCOCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360554319 535538996 /nfs/dbraw/zinc/53/89/96/535538996.db2.gz VWOVKHWKFDLWSC-UKRRQHHQSA-N 2 2 283.416 0.603 20 0 CCADLP C[C@H](Nc1cc[nH+]c(N(C)C)n1)[C@@H]1C[N@H+](C)CCO1 ZINC000676314590 545341319 /nfs/dbraw/zinc/34/13/19/545341319.db2.gz GGOPXZNZDIWDFD-QWRGUYRKSA-N 2 2 265.361 0.674 20 0 CCADLP C[C@H](Nc1cc[nH+]c(N(C)C)n1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676314590 545341320 /nfs/dbraw/zinc/34/13/20/545341320.db2.gz GGOPXZNZDIWDFD-QWRGUYRKSA-N 2 2 265.361 0.674 20 0 CCADLP CC[N@@H+]1CCN(C(=O)C[NH+](C)[C@@H]2CCSC2)[C@@H](C)C1 ZINC000341775239 535616414 /nfs/dbraw/zinc/61/64/14/535616414.db2.gz IIWYUZSHRPOYQH-QWHCGFSZSA-N 2 2 285.457 0.976 20 0 CCADLP CC[N@H+]1CCN(C(=O)C[NH+](C)[C@@H]2CCSC2)[C@@H](C)C1 ZINC000341775239 535616417 /nfs/dbraw/zinc/61/64/17/535616417.db2.gz IIWYUZSHRPOYQH-QWHCGFSZSA-N 2 2 285.457 0.976 20 0 CCADLP CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)[C@@H](C)C1 ZINC000341775239 535616419 /nfs/dbraw/zinc/61/64/19/535616419.db2.gz IIWYUZSHRPOYQH-QWHCGFSZSA-N 2 2 285.457 0.976 20 0 CCADLP CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)[C@@H](C)C1 ZINC000341775239 535616424 /nfs/dbraw/zinc/61/64/24/535616424.db2.gz IIWYUZSHRPOYQH-QWHCGFSZSA-N 2 2 285.457 0.976 20 0 CCADLP CCOC(=O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000363807490 535674272 /nfs/dbraw/zinc/67/42/72/535674272.db2.gz WCQVCZSQLHWVAC-UHFFFAOYSA-N 2 2 297.443 0.899 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)NCC[NH+]1CCC1 ZINC000677011803 545356808 /nfs/dbraw/zinc/35/68/08/545356808.db2.gz ZASADKGMMRHKPU-UHFFFAOYSA-N 2 2 251.334 0.196 20 0 CCADLP CC[N@@H+]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC000677175173 545359612 /nfs/dbraw/zinc/35/96/12/545359612.db2.gz ZWLFMVSRXBBZEG-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP CC[N@H+]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC000677175173 545359613 /nfs/dbraw/zinc/35/96/13/545359613.db2.gz ZWLFMVSRXBBZEG-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]CCNC(=O)c2ccco2)[C@@H](C)C1 ZINC000358067275 535783615 /nfs/dbraw/zinc/78/36/15/535783615.db2.gz XHIQAQFVOJIQPO-RYUDHWBXSA-N 2 2 265.357 0.939 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]CCNC(=O)c2ccco2)[C@@H](C)C1 ZINC000358067275 535783618 /nfs/dbraw/zinc/78/36/18/535783618.db2.gz XHIQAQFVOJIQPO-RYUDHWBXSA-N 2 2 265.357 0.939 20 0 CCADLP CN(C(=O)C(C)(C)[NH+]1CCOCC1)[C@@H]1CCC[N@H+](C)C1 ZINC000346373244 535954723 /nfs/dbraw/zinc/95/47/23/535954723.db2.gz NRLLVIDBKKPXBG-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP CN(C(=O)C(C)(C)[NH+]1CCOCC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000346373244 535954727 /nfs/dbraw/zinc/95/47/27/535954727.db2.gz NRLLVIDBKKPXBG-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP Cc1ncc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)s1 ZINC000677754362 545372522 /nfs/dbraw/zinc/37/25/22/545372522.db2.gz FCPXNUDQOHMTQP-SNVBAGLBSA-N 2 2 282.413 0.876 20 0 CCADLP CC(C)(CO)[NH+]1CCN(CCn2cc[nH+]c2)CC1 ZINC000677986831 545379910 /nfs/dbraw/zinc/37/99/10/545379910.db2.gz WTDCOXCPGHKBBF-UHFFFAOYSA-N 2 2 252.362 0.272 20 0 CCADLP C[NH+](C)Cc1cnc(CN2CC[NH+](C)CC2)s1 ZINC000347638858 536055322 /nfs/dbraw/zinc/05/53/22/536055322.db2.gz PPHLEBBOTKMDMH-UHFFFAOYSA-N 2 2 254.403 0.952 20 0 CCADLP CCc1cnccc1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000517019903 536085598 /nfs/dbraw/zinc/08/55/98/536085598.db2.gz YUKXUFQVLJTGRW-AWEZNQCLSA-N 2 2 291.399 0.428 20 0 CCADLP CCc1cnccc1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000517019903 536085605 /nfs/dbraw/zinc/08/56/05/536085605.db2.gz YUKXUFQVLJTGRW-AWEZNQCLSA-N 2 2 291.399 0.428 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000678081545 545383886 /nfs/dbraw/zinc/38/38/86/545383886.db2.gz VJAIALLWBATEGF-KBPBESRZSA-N 2 2 281.400 0.580 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000678081545 545383887 /nfs/dbraw/zinc/38/38/87/545383887.db2.gz VJAIALLWBATEGF-KBPBESRZSA-N 2 2 281.400 0.580 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000493194779 536103821 /nfs/dbraw/zinc/10/38/21/536103821.db2.gz ZRFICXRFFBLZBN-NFAHFFEMSA-N 2 2 292.383 0.801 20 0 CCADLP CCC[NH+]1CCC([NH2+]CCS(=O)(=O)NC(C)C)CC1 ZINC000678773532 545397276 /nfs/dbraw/zinc/39/72/76/545397276.db2.gz LHGLJGVMGSUFOZ-UHFFFAOYSA-N 2 2 291.461 0.778 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cn2ncc3ccccc32)[C@@H](C[NH3+])C1 ZINC000514857486 536404790 /nfs/dbraw/zinc/40/47/90/536404790.db2.gz RYCMKKFVCLPDOG-ZDUSSCGKSA-N 2 2 287.367 0.138 20 0 CCADLP C[N@H+]1CCN(C(=O)Cn2ncc3ccccc32)[C@@H](C[NH3+])C1 ZINC000514857486 536404793 /nfs/dbraw/zinc/40/47/93/536404793.db2.gz RYCMKKFVCLPDOG-ZDUSSCGKSA-N 2 2 287.367 0.138 20 0 CCADLP C(C[NH+]1CCOCC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000678994744 545400912 /nfs/dbraw/zinc/40/09/12/545400912.db2.gz HPNLGRLSSPQLAR-OAHLLOKOSA-N 2 2 283.416 0.115 20 0 CCADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CC(C)(C)C3)[C@@H]2C1 ZINC000516089311 536487652 /nfs/dbraw/zinc/48/76/52/536487652.db2.gz WQPFYGOUNKMEIF-QWHCGFSZSA-N 2 2 265.401 0.881 20 0 CCADLP C[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CC(C)(C)C3)[C@@H]2C1 ZINC000516089311 536487654 /nfs/dbraw/zinc/48/76/54/536487654.db2.gz WQPFYGOUNKMEIF-QWHCGFSZSA-N 2 2 265.401 0.881 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000679908693 545418476 /nfs/dbraw/zinc/41/84/76/545418476.db2.gz SXQLJSUWUCSBHD-UHFFFAOYSA-N 2 2 250.346 0.876 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000679908693 545418477 /nfs/dbraw/zinc/41/84/77/545418477.db2.gz SXQLJSUWUCSBHD-UHFFFAOYSA-N 2 2 250.346 0.876 20 0 CCADLP COc1cc[nH+]cc1CSc1nnnn1CC[NH+](C)C ZINC000343814153 537120964 /nfs/dbraw/zinc/12/09/64/537120964.db2.gz SOFLLUAYNCOVIQ-UHFFFAOYSA-N 2 2 294.384 0.931 20 0 CCADLP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000681552026 545455902 /nfs/dbraw/zinc/45/59/02/545455902.db2.gz QTNGEOWNMVZXJD-NEPJUHHUSA-N 2 2 262.357 0.513 20 0 CCADLP C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000681552026 545455903 /nfs/dbraw/zinc/45/59/03/545455903.db2.gz QTNGEOWNMVZXJD-NEPJUHHUSA-N 2 2 262.357 0.513 20 0 CCADLP C[C@H](CNc1nc(N2CCOCC2)cc[nH+]1)[NH+](C)C ZINC000682393928 545478161 /nfs/dbraw/zinc/47/81/61/545478161.db2.gz ZIPAJYTVOQFFCV-LLVKDONJSA-N 2 2 265.361 0.675 20 0 CCADLP O=C(NCC[NH+]1CCSCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682500275 545480881 /nfs/dbraw/zinc/48/08/81/545480881.db2.gz QYLIBZMKMMBMBZ-GFCCVEGCSA-N 2 2 294.424 0.611 20 0 CCADLP C[C@@H](Nc1nc2c(cnn2C)c(N)[nH+]1)[C@@H]1C[N@H+](C)CCO1 ZINC000683458314 545524560 /nfs/dbraw/zinc/52/45/60/545524560.db2.gz DXDUXKSQIUEMSR-SCZZXKLOSA-N 2 2 291.359 0.077 20 0 CCADLP C[C@@H](Nc1nc2c(cnn2C)c(N)[nH+]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000683458314 545524563 /nfs/dbraw/zinc/52/45/63/545524563.db2.gz DXDUXKSQIUEMSR-SCZZXKLOSA-N 2 2 291.359 0.077 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000726257126 581234472 /nfs/dbraw/zinc/23/44/72/581234472.db2.gz PBZQILSTMNRAIY-GFCCVEGCSA-N 2 2 295.387 0.211 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000726257126 581234474 /nfs/dbraw/zinc/23/44/74/581234474.db2.gz PBZQILSTMNRAIY-GFCCVEGCSA-N 2 2 295.387 0.211 20 0 CCADLP CC[NH+](CC)CCNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000726257106 581234668 /nfs/dbraw/zinc/23/46/68/581234668.db2.gz PXNCTWVTGXKCBO-ZDUSSCGKSA-N 2 2 286.420 0.348 20 0 CCADLP CC[NH+](CC)CCNC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000726257106 581234669 /nfs/dbraw/zinc/23/46/69/581234669.db2.gz PXNCTWVTGXKCBO-ZDUSSCGKSA-N 2 2 286.420 0.348 20 0 CCADLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)CC[N@@H+]1C ZINC000748351017 581275055 /nfs/dbraw/zinc/27/50/55/581275055.db2.gz 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ZINC000793765888 581312139 /nfs/dbraw/zinc/31/21/39/581312139.db2.gz KJCJBKZRWFYOFN-TZMCWYRMSA-N 2 2 251.374 0.840 20 0 CCADLP C[C@@H]1CC(=O)N(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)C1 ZINC000793765888 581312140 /nfs/dbraw/zinc/31/21/40/581312140.db2.gz KJCJBKZRWFYOFN-TZMCWYRMSA-N 2 2 251.374 0.840 20 0 CCADLP CO[C@@H]1CCC[N@H+](CN2C[C@H](c3c[nH+]cn3C)CC2=O)C1 ZINC000783978720 581369977 /nfs/dbraw/zinc/36/99/77/581369977.db2.gz MTTALQVQLJCNNC-CHWSQXEVSA-N 2 2 292.383 0.804 20 0 CCADLP CO[C@@H]1CCC[N@@H+](CN2C[C@H](c3c[nH+]cn3C)CC2=O)C1 ZINC000783978720 581369978 /nfs/dbraw/zinc/36/99/78/581369978.db2.gz MTTALQVQLJCNNC-CHWSQXEVSA-N 2 2 292.383 0.804 20 0 CCADLP CO[C@H](C)C[N@H+](C)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000795744997 581421294 /nfs/dbraw/zinc/42/12/94/581421294.db2.gz BSZDYSFZPNBYOO-NEPJUHHUSA-N 2 2 280.372 0.660 20 0 CCADLP CO[C@H](C)C[N@@H+](C)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000795744997 581421296 /nfs/dbraw/zinc/42/12/96/581421296.db2.gz BSZDYSFZPNBYOO-NEPJUHHUSA-N 2 2 280.372 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C[C@@H]1C[NH+](CCNC(=O)N(C)CC[N@H+](C)C2CC2)CCO1 ZINC000771310529 581798312 /nfs/dbraw/zinc/79/83/12/581798312.db2.gz FBULTOYFRRIVLY-CYBMUJFWSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)N(C)CC[N@@H+](C)C2CC2)CCO1 ZINC000771310529 581798317 /nfs/dbraw/zinc/79/83/17/581798317.db2.gz FBULTOYFRRIVLY-CYBMUJFWSA-N 2 2 298.431 0.443 20 0 CCADLP Cc1nonc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000736683453 581815958 /nfs/dbraw/zinc/81/59/58/581815958.db2.gz UWALSTFWOZOTQR-LLVKDONJSA-N 2 2 293.371 0.276 20 0 CCADLP Cc1nonc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000736683453 581815959 /nfs/dbraw/zinc/81/59/59/581815959.db2.gz UWALSTFWOZOTQR-LLVKDONJSA-N 2 2 293.371 0.276 20 0 CCADLP C/C=C/C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732839015 581851741 /nfs/dbraw/zinc/85/17/41/581851741.db2.gz OOHKDQWWTDBJTA-PCAWENJQSA-N 2 2 251.374 0.847 20 0 CCADLP C/C=C/C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732839015 581851742 /nfs/dbraw/zinc/85/17/42/581851742.db2.gz OOHKDQWWTDBJTA-PCAWENJQSA-N 2 2 251.374 0.847 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1CNc1nc(N2CCCC2)cc[nH+]1 ZINC000733190903 581890030 /nfs/dbraw/zinc/89/00/30/581890030.db2.gz LRSWOZFKUCAQHR-CYBMUJFWSA-N 2 2 290.415 0.735 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1CNc1nc(N2CCCC2)cc[nH+]1 ZINC000733190903 581890033 /nfs/dbraw/zinc/89/00/33/581890033.db2.gz LRSWOZFKUCAQHR-CYBMUJFWSA-N 2 2 290.415 0.735 20 0 CCADLP Cc1nc(NCC(=O)N2CC[NH+](C)CC2)c(C)c(C)[nH+]1 ZINC000761891766 581925680 /nfs/dbraw/zinc/92/56/80/581925680.db2.gz MQCQPQOMSLDOFJ-UHFFFAOYSA-N 2 2 277.372 0.588 20 0 CCADLP C[C@H]1C[N@H+](CN2CCCC2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000763331361 581995401 /nfs/dbraw/zinc/99/54/01/581995401.db2.gz DDGFCSBUBJPNGX-GJZGRUSLSA-N 2 2 294.443 0.524 20 0 CCADLP C[C@H]1C[N@@H+](CN2CCCC2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000763331361 581995403 /nfs/dbraw/zinc/99/54/03/581995403.db2.gz DDGFCSBUBJPNGX-GJZGRUSLSA-N 2 2 294.443 0.524 20 0 CCADLP O=C(CC[NH+]1CCOCC1)NCCCn1cc[nH+]c1 ZINC000750865508 582061903 /nfs/dbraw/zinc/06/19/03/582061903.db2.gz JWFKPSKLESCAJM-UHFFFAOYSA-N 2 2 266.345 0.112 20 0 CCADLP CC[N@@H+]1CCO[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC000776931134 582093852 /nfs/dbraw/zinc/09/38/52/582093852.db2.gz IZTJQVZOHUPTTK-GFCCVEGCSA-N 2 2 288.351 0.785 20 0 CCADLP CC[N@H+]1CCO[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC000776931134 582093854 /nfs/dbraw/zinc/09/38/54/582093854.db2.gz IZTJQVZOHUPTTK-GFCCVEGCSA-N 2 2 288.351 0.785 20 0 CCADLP CCOC(=O)[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000932637439 615378506 /nfs/dbraw/zinc/37/85/06/615378506.db2.gz ARNSOWLFNWAWLU-NWDGAFQWSA-N 2 2 258.362 0.184 20 0 CCADLP CCOC(=O)[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000932637439 615378509 /nfs/dbraw/zinc/37/85/09/615378509.db2.gz ARNSOWLFNWAWLU-NWDGAFQWSA-N 2 2 258.362 0.184 20 0 CCADLP CCOC(=O)[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)CC)C1 ZINC000932637439 615378511 /nfs/dbraw/zinc/37/85/11/615378511.db2.gz ARNSOWLFNWAWLU-NWDGAFQWSA-N 2 2 258.362 0.184 20 0 CCADLP CCOC(=O)[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)CC)C1 ZINC000932637439 615378514 /nfs/dbraw/zinc/37/85/14/615378514.db2.gz ARNSOWLFNWAWLU-NWDGAFQWSA-N 2 2 258.362 0.184 20 0 CCADLP CC[C@H](C(=O)N1CCC[N@@H+](CCF)CC1)[NH+](C)C ZINC000981438430 615600746 /nfs/dbraw/zinc/60/07/46/615600746.db2.gz UKYJPRDJXUSQDE-GFCCVEGCSA-N 2 2 259.369 0.830 20 0 CCADLP C[NH+](C)CCC[C@H]1C[N@H+](CC[S@](C)=O)CCO1 ZINC000852760715 615888586 /nfs/dbraw/zinc/88/85/86/615888586.db2.gz MJJOBTCGQISGBM-SJCJKPOMSA-N 2 2 262.419 0.408 20 0 CCADLP C[NH+](C)CCC[C@H]1C[N@@H+](CC[S@](C)=O)CCO1 ZINC000852760715 615888589 /nfs/dbraw/zinc/88/85/89/615888589.db2.gz MJJOBTCGQISGBM-SJCJKPOMSA-N 2 2 262.419 0.408 20 0 CCADLP C[NH+](CC(=O)NC[C@H]1CC[N@H+]1C)[C@H]1CCSC1 ZINC000928559216 616047810 /nfs/dbraw/zinc/04/78/10/616047810.db2.gz JWIXHWVBUOABQX-MNOVXSKESA-N 2 2 257.403 0.244 20 0 CCADLP COC[C@H](C)NC(=S)NCC[N@H+](C)CCC[NH+](C)C ZINC000849280600 617077647 /nfs/dbraw/zinc/07/76/47/617077647.db2.gz XTGMSHZSKTXAJD-LBPRGKRZSA-N 2 2 290.477 0.369 20 0 CCADLP COC[C@H](C)NC(=S)NCC[N@@H+](C)CCC[NH+](C)C ZINC000849280600 617077649 /nfs/dbraw/zinc/07/76/49/617077649.db2.gz XTGMSHZSKTXAJD-LBPRGKRZSA-N 2 2 290.477 0.369 20 0 CCADLP CC(C)OCC[C@@H](O)C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869221 614023357 /nfs/dbraw/zinc/02/33/57/614023357.db2.gz DSHHWLMUIBAROR-ZIAGYGMSSA-N 2 2 256.390 0.990 20 0 CCADLP CC(C)OCC[C@@H](O)C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869221 614023359 /nfs/dbraw/zinc/02/33/59/614023359.db2.gz DSHHWLMUIBAROR-ZIAGYGMSSA-N 2 2 256.390 0.990 20 0 CCADLP CC(C)CN(CC[NH+](C)C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900586202 614079359 /nfs/dbraw/zinc/07/93/59/614079359.db2.gz JWGXPAUQWLNNPX-UHFFFAOYSA-N 2 2 252.362 0.998 20 0 CCADLP CC(C)(CNC(=O)CCC12CC(C1)C[NH2+]2)[NH+]1CCOCC1 ZINC000870853653 614094173 /nfs/dbraw/zinc/09/41/73/614094173.db2.gz ZQXRUSRBRSYLEL-UHFFFAOYSA-N 2 2 295.427 0.746 20 0 CCADLP CC(C)(CNC(=O)C[C@@H]([NH3+])C1CC1)[NH+]1CCOCC1 ZINC000123893889 614096130 /nfs/dbraw/zinc/09/61/30/614096130.db2.gz KGNOMWZWAJUPAH-GFCCVEGCSA-N 2 2 269.389 0.341 20 0 CCADLP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000884405284 614224576 /nfs/dbraw/zinc/22/45/76/614224576.db2.gz MFZRXCTUAIMTJD-KGLIPLIRSA-N 2 2 297.443 0.929 20 0 CCADLP CC(C)[NH+]1CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000036190615 614362975 /nfs/dbraw/zinc/36/29/75/614362975.db2.gz KBRGLTUAMNKGDZ-GFCCVEGCSA-N 2 2 275.418 0.094 20 0 CCADLP C1CC[N@@H+]2CCC[C@H]([NH2+][C@H]3CCc4nnnn4CC3)[C@H]2C1 ZINC000926605544 613224604 /nfs/dbraw/zinc/22/46/04/613224604.db2.gz DUXHVEXQLHTBGU-MELADBBJSA-N 2 2 290.415 0.985 20 0 CCADLP C1CC[N@H+]2CCC[C@H]([NH2+][C@H]3CCc4nnnn4CC3)[C@H]2C1 ZINC000926605544 613224606 /nfs/dbraw/zinc/22/46/06/613224606.db2.gz DUXHVEXQLHTBGU-MELADBBJSA-N 2 2 290.415 0.985 20 0 CCADLP C(C[NH2+][C@@H]1C[NH2+]CCOC1)COC[C@@H]1CCCO1 ZINC000925514556 613225142 /nfs/dbraw/zinc/22/51/42/613225142.db2.gz QWUXIVHZOZWBGM-OLZOCXBDSA-N 2 2 258.362 0.150 20 0 CCADLP C([C@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869202 613226980 /nfs/dbraw/zinc/22/69/80/613226980.db2.gz DNUPCRUXQNCYPF-ZBFHGGJFSA-N 3 2 279.428 0.973 20 0 CCADLP C([C@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869202 613226982 /nfs/dbraw/zinc/22/69/82/613226982.db2.gz DNUPCRUXQNCYPF-ZBFHGGJFSA-N 3 2 279.428 0.973 20 0 CCADLP C([NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000925831891 613230456 /nfs/dbraw/zinc/23/04/56/613230456.db2.gz MUCZPJABGWFBKU-CAEXGNQWSA-N 2 2 282.384 0.147 20 0 CCADLP C/C(=C/C(=O)NC[C@H](C)[N@H+](C)C1CC1)C[NH+]1CCOCC1 ZINC000900542321 613237240 /nfs/dbraw/zinc/23/72/40/613237240.db2.gz MREVNQXIZGLVMF-ZVHGMHCTSA-N 2 2 295.427 0.864 20 0 CCADLP C/C(=C/C(=O)NC[C@H](C)[N@@H+](C)C1CC1)C[NH+]1CCOCC1 ZINC000900542321 613237242 /nfs/dbraw/zinc/23/72/42/613237242.db2.gz MREVNQXIZGLVMF-ZVHGMHCTSA-N 2 2 295.427 0.864 20 0 CCADLP C/C(=C/C(=O)NC[C@H](C)[NH+](C)C)C[NH+]1CCOCC1 ZINC000900162855 613237313 /nfs/dbraw/zinc/23/73/13/613237313.db2.gz JQCLLZUKWYHABH-SUIFULHWSA-N 2 2 269.389 0.331 20 0 CCADLP C/C(=C\C(=O)N1CC[N@H+](C)[C@H](C)C1)C[NH+]1CCOCC1 ZINC000900849037 613250856 /nfs/dbraw/zinc/25/08/56/613250856.db2.gz WGUBLFWSNOJMBD-JWAFFJSPSA-N 2 2 281.400 0.427 20 0 CCADLP C/C(=C\C(=O)N1CC[N@@H+](C)[C@H](C)C1)C[NH+]1CCOCC1 ZINC000900849037 613250858 /nfs/dbraw/zinc/25/08/58/613250858.db2.gz WGUBLFWSNOJMBD-JWAFFJSPSA-N 2 2 281.400 0.427 20 0 CCADLP C/C(=C\C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21)C[NH+]1CCOCC1 ZINC000908345286 613252748 /nfs/dbraw/zinc/25/27/48/613252748.db2.gz AVQXTVGYLRUDAV-UXHADMKASA-N 2 2 293.411 0.427 20 0 CCADLP C/C(=C\C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21)C[NH+]1CCOCC1 ZINC000908345286 613252751 /nfs/dbraw/zinc/25/27/51/613252751.db2.gz AVQXTVGYLRUDAV-UXHADMKASA-N 2 2 293.411 0.427 20 0 CCADLP CC(=O)N1CCC([NH+]2CCN(c3[nH+]ccn3C)CC2)CC1 ZINC000930060588 613810551 /nfs/dbraw/zinc/81/05/51/613810551.db2.gz GOFSOQSKAVRADL-UHFFFAOYSA-N 2 2 291.399 0.553 20 0 CCADLP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)CS(C)(=O)=O)CC1 ZINC000927024739 613923817 /nfs/dbraw/zinc/92/38/17/613923817.db2.gz DAZOPOYSITVMGS-GFCCVEGCSA-N 2 2 292.445 0.244 20 0 CCADLP CC(C)OC[C@H](C)[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000800239739 614033102 /nfs/dbraw/zinc/03/31/02/614033102.db2.gz UNPCHUDYADKQOE-HOTGVXAUSA-N 2 2 299.459 0.796 20 0 CCADLP CC(C)CN(CC[NH+](C)C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865176475 614080167 /nfs/dbraw/zinc/08/01/67/614080167.db2.gz RKIVUDJSJKVQQO-GFCCVEGCSA-N 2 2 268.361 0.489 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@H](O)CC(C)(C)O)C1 ZINC000871977904 614099688 /nfs/dbraw/zinc/09/96/88/614099688.db2.gz GEHONCQEGSBSNS-ZIAGYGMSSA-N 2 2 288.432 0.455 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@H](O)CC(C)(C)O)C1 ZINC000871977904 614099689 /nfs/dbraw/zinc/09/96/89/614099689.db2.gz GEHONCQEGSBSNS-ZIAGYGMSSA-N 2 2 288.432 0.455 20 0 CCADLP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC000869780905 614189161 /nfs/dbraw/zinc/18/91/61/614189161.db2.gz WZUITJKKXAUTMR-ZDUSSCGKSA-N 2 2 294.399 0.625 20 0 CCADLP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC000869780905 614189164 /nfs/dbraw/zinc/18/91/64/614189164.db2.gz WZUITJKKXAUTMR-ZDUSSCGKSA-N 2 2 294.399 0.625 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000911814322 614215055 /nfs/dbraw/zinc/21/50/55/614215055.db2.gz RHILJNVZHCVVSL-VXGBXAGGSA-N 2 2 264.373 0.935 20 0 CCADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000951196452 614332147 /nfs/dbraw/zinc/33/21/47/614332147.db2.gz WLSKMJAIFTYWGJ-AWEZNQCLSA-N 2 2 283.416 0.386 20 0 CCADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000951196452 614332148 /nfs/dbraw/zinc/33/21/48/614332148.db2.gz WLSKMJAIFTYWGJ-AWEZNQCLSA-N 2 2 283.416 0.386 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCc1c[nH+]cn1C ZINC000935328957 614342488 /nfs/dbraw/zinc/34/24/88/614342488.db2.gz FPQFQMCXMJOOFM-CYBMUJFWSA-N 2 2 264.373 0.952 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCc1c[nH+]cn1C ZINC000935328957 614342490 /nfs/dbraw/zinc/34/24/90/614342490.db2.gz FPQFQMCXMJOOFM-CYBMUJFWSA-N 2 2 264.373 0.952 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000932475261 614353084 /nfs/dbraw/zinc/35/30/84/614353084.db2.gz MCWBBWZXTUJVSP-NSHDSACASA-N 2 2 250.346 0.941 20 0 CCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000932475261 614353086 /nfs/dbraw/zinc/35/30/86/614353086.db2.gz MCWBBWZXTUJVSP-NSHDSACASA-N 2 2 250.346 0.941 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCc1c[nH+]cn1C ZINC000935328959 614353119 /nfs/dbraw/zinc/35/31/19/614353119.db2.gz FPQFQMCXMJOOFM-ZDUSSCGKSA-N 2 2 264.373 0.952 20 0 CCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCc1c[nH+]cn1C ZINC000935328959 614353121 /nfs/dbraw/zinc/35/31/21/614353121.db2.gz FPQFQMCXMJOOFM-ZDUSSCGKSA-N 2 2 264.373 0.952 20 0 CCADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912740188 614504279 /nfs/dbraw/zinc/50/42/79/614504279.db2.gz RGHQQKPPPWIVTG-VXGBXAGGSA-N 2 2 271.405 0.288 20 0 CCADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912740188 614504282 /nfs/dbraw/zinc/50/42/82/614504282.db2.gz RGHQQKPPPWIVTG-VXGBXAGGSA-N 2 2 271.405 0.288 20 0 CCADLP CC1(C)CC[C@H](CNC(=O)/C=C/C[NH+]2CCOCC2)[NH2+]C1 ZINC000877151723 614571668 /nfs/dbraw/zinc/57/16/68/614571668.db2.gz QGCACXIKKVBZDD-RDFMZFSFSA-N 2 2 295.427 0.769 20 0 CCADLP CCC[NH+]1CC(N2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC000941688318 614603949 /nfs/dbraw/zinc/60/39/49/614603949.db2.gz WSTZNAORFGTVFI-UHFFFAOYSA-N 2 2 291.399 0.122 20 0 CCADLP CCC[NH+]1CCC([NH2+]CCS(=O)(=O)NCC)CC1 ZINC000223812512 614620420 /nfs/dbraw/zinc/62/04/20/614620420.db2.gz YPVQYEBXTRTNGZ-UHFFFAOYSA-N 2 2 277.434 0.390 20 0 CCADLP CC1(C)C[N@H+](CCCO)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941061999 614637985 /nfs/dbraw/zinc/63/79/85/614637985.db2.gz UFTOODUROUQXBP-CYBMUJFWSA-N 2 2 294.399 0.551 20 0 CCADLP CC1(C)C[N@@H+](CCCO)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941061999 614637987 /nfs/dbraw/zinc/63/79/87/614637987.db2.gz UFTOODUROUQXBP-CYBMUJFWSA-N 2 2 294.399 0.551 20 0 CCADLP CCN(C(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1)C1C[NH+](CCO)C1 ZINC000950089382 614652911 /nfs/dbraw/zinc/65/29/11/614652911.db2.gz BNQPFWGFZYSRTG-ZIAGYGMSSA-N 2 2 295.427 0.386 20 0 CCADLP CCN(C(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1)C1C[NH+](CCO)C1 ZINC000950089382 614652913 /nfs/dbraw/zinc/65/29/13/614652913.db2.gz BNQPFWGFZYSRTG-ZIAGYGMSSA-N 2 2 295.427 0.386 20 0 CCADLP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000876745543 614655247 /nfs/dbraw/zinc/65/52/47/614655247.db2.gz DEIFOSZTTYUZBS-NEPJUHHUSA-N 2 2 283.416 0.587 20 0 CCADLP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000876745543 614655249 /nfs/dbraw/zinc/65/52/49/614655249.db2.gz DEIFOSZTTYUZBS-NEPJUHHUSA-N 2 2 283.416 0.587 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913445112 614660213 /nfs/dbraw/zinc/66/02/13/614660213.db2.gz LGKUYUUPYYQXOY-UONOGXRCSA-N 2 2 291.399 0.757 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913445112 614660215 /nfs/dbraw/zinc/66/02/15/614660215.db2.gz LGKUYUUPYYQXOY-UONOGXRCSA-N 2 2 291.399 0.757 20 0 CCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000906177394 614672519 /nfs/dbraw/zinc/67/25/19/614672519.db2.gz RZGIRQTVXNTSHH-CABCVRRESA-N 2 2 297.443 0.945 20 0 CCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000906177394 614672521 /nfs/dbraw/zinc/67/25/21/614672521.db2.gz RZGIRQTVXNTSHH-CABCVRRESA-N 2 2 297.443 0.945 20 0 CCADLP CC1(C)C[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@@H]1[NH3+] ZINC000903787454 614674593 /nfs/dbraw/zinc/67/45/93/614674593.db2.gz WUKQAIISDDKMJW-OLZOCXBDSA-N 3 2 267.417 0.814 20 0 CCADLP CC1(C)C[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@@H]1[NH3+] ZINC000903787454 614674598 /nfs/dbraw/zinc/67/45/98/614674598.db2.gz WUKQAIISDDKMJW-OLZOCXBDSA-N 3 2 267.417 0.814 20 0 CCADLP CC1(C)CNC(=O)[C@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000895319048 614696209 /nfs/dbraw/zinc/69/62/09/614696209.db2.gz CFIFVOOKJAQUOK-QWHCGFSZSA-N 2 2 281.400 0.354 20 0 CCADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903920963 614704145 /nfs/dbraw/zinc/70/41/45/614704145.db2.gz YWUNZUSLZMDTEG-GXTWGEPZSA-N 3 2 292.431 0.680 20 0 CCADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@H](O)[C@@H](C)O)CC1 ZINC000931329882 614706180 /nfs/dbraw/zinc/70/61/80/614706180.db2.gz YZQUPUDTPLRKHS-KGLIPLIRSA-N 2 2 286.416 0.305 20 0 CCADLP CC1(C)[NH2+]CC[C@@H]1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876872219 614806604 /nfs/dbraw/zinc/80/66/04/614806604.db2.gz VMESFTKGITXTRW-PCAWENJQSA-N 2 2 267.373 0.132 20 0 CCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000925577335 614807115 /nfs/dbraw/zinc/80/71/15/614807115.db2.gz QNQLSPCLBYCBJU-JTQLQIEISA-N 2 2 260.403 0.541 20 0 CCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925850165 614807267 /nfs/dbraw/zinc/80/72/67/614807267.db2.gz UFIVANCZMRSGGC-NEPJUHHUSA-N 3 2 281.400 0.402 20 0 CCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000925670407 614807293 /nfs/dbraw/zinc/80/72/93/614807293.db2.gz JTYPBLBPWSRPOH-NEPJUHHUSA-N 2 2 289.445 0.531 20 0 CCADLP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000876708125 614847232 /nfs/dbraw/zinc/84/72/32/614847232.db2.gz XJAMRNBXPVYROX-MNOVXSKESA-N 2 2 250.346 0.763 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(O)(C2CCC2)CC1 ZINC000932816697 614866379 /nfs/dbraw/zinc/86/63/79/614866379.db2.gz SFVFPXRFVZYJBO-AWEZNQCLSA-N 2 2 270.417 0.926 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(O)(C2CCC2)CC1 ZINC000932816697 614866381 /nfs/dbraw/zinc/86/63/81/614866381.db2.gz SFVFPXRFVZYJBO-AWEZNQCLSA-N 2 2 270.417 0.926 20 0 CCADLP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CC(N)=O)C2)ccn1 ZINC000856594612 614881118 /nfs/dbraw/zinc/88/11/18/614881118.db2.gz WIIMOYNCRKHLEG-AWEZNQCLSA-N 2 2 292.383 0.472 20 0 CCADLP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC(N)=O)C2)ccn1 ZINC000856594612 614881120 /nfs/dbraw/zinc/88/11/20/614881120.db2.gz WIIMOYNCRKHLEG-AWEZNQCLSA-N 2 2 292.383 0.472 20 0 CCADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC(N)=O)C2)ccn1 ZINC000856594612 614881122 /nfs/dbraw/zinc/88/11/22/614881122.db2.gz WIIMOYNCRKHLEG-AWEZNQCLSA-N 2 2 292.383 0.472 20 0 CCADLP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC(N)=O)C2)ccn1 ZINC000856594612 614881125 /nfs/dbraw/zinc/88/11/25/614881125.db2.gz WIIMOYNCRKHLEG-AWEZNQCLSA-N 2 2 292.383 0.472 20 0 CCADLP CC[N@H+](C)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000971431280 614906137 /nfs/dbraw/zinc/90/61/37/614906137.db2.gz ALDOKKNEQDJDDQ-NSHDSACASA-N 2 2 250.346 0.895 20 0 CCADLP CC[N@@H+](C)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000971431280 614906141 /nfs/dbraw/zinc/90/61/41/614906141.db2.gz ALDOKKNEQDJDDQ-NSHDSACASA-N 2 2 250.346 0.895 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000877434055 614910544 /nfs/dbraw/zinc/91/05/44/614910544.db2.gz MRKZFNDFFCXSRP-CHWSQXEVSA-N 2 2 271.405 0.602 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000877434055 614910547 /nfs/dbraw/zinc/91/05/47/614910547.db2.gz MRKZFNDFFCXSRP-CHWSQXEVSA-N 2 2 271.405 0.602 20 0 CCADLP CC[NH+](CC)C[C@H](C)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865806099 615002905 /nfs/dbraw/zinc/00/29/05/615002905.db2.gz GCQDEJZNXJQVRC-UZYOAWRESA-N 2 2 283.416 0.721 20 0 CCADLP CC[NH+](CC)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000816940184 615012282 /nfs/dbraw/zinc/01/22/82/615012282.db2.gz WKUZJMXLIQKWFV-NSHDSACASA-N 2 2 250.346 0.895 20 0 CCADLP CCN(CCC[NH+]1CCCC1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000867709697 615042763 /nfs/dbraw/zinc/04/27/63/615042763.db2.gz PKFFEYQLNUEDOA-CYBMUJFWSA-N 2 2 280.372 0.778 20 0 CCADLP CC[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000960149542 615088703 /nfs/dbraw/zinc/08/87/03/615088703.db2.gz COCYQODMABFYDM-LBPRGKRZSA-N 2 2 250.346 0.943 20 0 CCADLP CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000969997750 615094746 /nfs/dbraw/zinc/09/47/46/615094746.db2.gz OWGMXJXYVUBUFG-RYUDHWBXSA-N 2 2 276.384 0.902 20 0 CCADLP CC[N@@H+]1CCCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000982118543 615104139 /nfs/dbraw/zinc/10/41/39/615104139.db2.gz XMAUIMZDUIZXTL-UHFFFAOYSA-N 2 2 276.384 0.907 20 0 CCADLP CC[N@H+]1CCCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000982118543 615104140 /nfs/dbraw/zinc/10/41/40/615104140.db2.gz XMAUIMZDUIZXTL-UHFFFAOYSA-N 2 2 276.384 0.907 20 0 CCADLP CC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000981458399 615113342 /nfs/dbraw/zinc/11/33/42/615113342.db2.gz XGMDAEVNPNFJGI-VXGBXAGGSA-N 2 2 264.373 1.000 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000969135494 615119176 /nfs/dbraw/zinc/11/91/76/615119176.db2.gz LMOFLDGOYUWGLZ-VXGBXAGGSA-N 2 2 262.357 0.656 20 0 CCADLP CCN1CCC[N@H+](C[C@]2(C)CCC[NH2+]C2)CC1=O ZINC000904346621 615122149 /nfs/dbraw/zinc/12/21/49/615122149.db2.gz WQDZGUGKMGNZBY-CQSZACIVSA-N 2 2 253.390 0.930 20 0 CCADLP CCN1CCC[N@@H+](C[C@]2(C)CCC[NH2+]C2)CC1=O ZINC000904346621 615122150 /nfs/dbraw/zinc/12/21/50/615122150.db2.gz WQDZGUGKMGNZBY-CQSZACIVSA-N 2 2 253.390 0.930 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)S(C)(=O)=O ZINC000848991280 615131855 /nfs/dbraw/zinc/13/18/55/615131855.db2.gz UERATOPYLOOKGB-WDEREUQCSA-N 2 2 290.433 0.018 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)S(C)(=O)=O ZINC000848991280 615131856 /nfs/dbraw/zinc/13/18/56/615131856.db2.gz UERATOPYLOOKGB-WDEREUQCSA-N 2 2 290.433 0.018 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCn3cc[nH+]c32)CC1 ZINC000931526249 615150995 /nfs/dbraw/zinc/15/09/95/615150995.db2.gz IQVRQZPJJOXSBP-GFCCVEGCSA-N 2 2 277.372 0.256 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000947861683 615214032 /nfs/dbraw/zinc/21/40/32/615214032.db2.gz OIIYLPJFGLBMHA-WDEREUQCSA-N 2 2 250.346 0.941 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000947861683 615214033 /nfs/dbraw/zinc/21/40/33/615214033.db2.gz OIIYLPJFGLBMHA-WDEREUQCSA-N 2 2 250.346 0.941 20 0 CCADLP CCOC(=O)N1CCC([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000841078588 615226390 /nfs/dbraw/zinc/22/63/90/615226390.db2.gz JIBCCMKBHIOHCC-JQWIXIFHSA-N 2 2 273.352 0.897 20 0 CCADLP CCOC(=O)N1CCC([NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925537001 615226411 /nfs/dbraw/zinc/22/64/11/615226411.db2.gz HTQQLTFRXVRERM-GFCCVEGCSA-N 2 2 271.361 0.185 20 0 CCADLP CCOC(=O)N1CC[C@H]([NH2+][C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000925639508 615234504 /nfs/dbraw/zinc/23/45/04/615234504.db2.gz CGDXBPSSVWMBGS-WOPDTQHZSA-N 2 2 255.362 0.947 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000883348611 615253138 /nfs/dbraw/zinc/25/31/38/615253138.db2.gz XUFXJFLVCYDRIU-ZIAGYGMSSA-N 2 2 297.447 0.016 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000883348611 615253139 /nfs/dbraw/zinc/25/31/39/615253139.db2.gz XUFXJFLVCYDRIU-ZIAGYGMSSA-N 2 2 297.447 0.016 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000882960874 615260321 /nfs/dbraw/zinc/26/03/21/615260321.db2.gz YFPMZARKWCKMEQ-GHMZBOCLSA-N 2 2 265.361 0.775 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000882960874 615260323 /nfs/dbraw/zinc/26/03/23/615260323.db2.gz YFPMZARKWCKMEQ-GHMZBOCLSA-N 2 2 265.361 0.775 20 0 CCADLP CC[N@@H+]1CC[C@H](CNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000864961919 615270862 /nfs/dbraw/zinc/27/08/62/615270862.db2.gz GKHQIKVRTGWJNI-RDFMZFSFSA-N 2 2 281.400 0.333 20 0 CCADLP CC[N@H+]1CC[C@H](CNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000864961919 615270865 /nfs/dbraw/zinc/27/08/65/615270865.db2.gz GKHQIKVRTGWJNI-RDFMZFSFSA-N 2 2 281.400 0.333 20 0 CCADLP CCOC(=O)[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000932638701 615292184 /nfs/dbraw/zinc/29/21/84/615292184.db2.gz JUOCRRFGRMMETK-DGCLKSJQSA-N 2 2 270.373 0.327 20 0 CCADLP CCOC(=O)[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000932638701 615292185 /nfs/dbraw/zinc/29/21/85/615292185.db2.gz JUOCRRFGRMMETK-DGCLKSJQSA-N 2 2 270.373 0.327 20 0 CCADLP CCOC(=O)[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000932638701 615292187 /nfs/dbraw/zinc/29/21/87/615292187.db2.gz JUOCRRFGRMMETK-DGCLKSJQSA-N 2 2 270.373 0.327 20 0 CCADLP CCOC(=O)[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000932638701 615292188 /nfs/dbraw/zinc/29/21/88/615292188.db2.gz JUOCRRFGRMMETK-DGCLKSJQSA-N 2 2 270.373 0.327 20 0 CCADLP CCOC(=O)[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000932646972 615292220 /nfs/dbraw/zinc/29/22/20/615292220.db2.gz MMUXCMCYZDDTCF-CHWSQXEVSA-N 2 2 270.373 0.328 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000922157657 615309345 /nfs/dbraw/zinc/30/93/45/615309345.db2.gz BBVVGCCFACDALJ-SCOBNMCVSA-N 2 2 267.373 0.085 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000922157657 615309348 /nfs/dbraw/zinc/30/93/48/615309348.db2.gz BBVVGCCFACDALJ-SCOBNMCVSA-N 2 2 267.373 0.085 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@@H]1CCCC[NH2+]1 ZINC000817948614 615327184 /nfs/dbraw/zinc/32/71/84/615327184.db2.gz BYXSMCCXOQSHCX-QJPTWQEYSA-N 2 2 255.362 0.012 20 0 CCADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000866666710 615367553 /nfs/dbraw/zinc/36/75/53/615367553.db2.gz VKEBCSFFPYZPLU-CABCVRRESA-N 2 2 293.411 0.988 20 0 CCADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000866666710 615367556 /nfs/dbraw/zinc/36/75/56/615367556.db2.gz VKEBCSFFPYZPLU-CABCVRRESA-N 2 2 293.411 0.988 20 0 CCADLP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)o2)C1)[NH+](C)C ZINC000969992039 615374595 /nfs/dbraw/zinc/37/45/95/615374595.db2.gz SNFJDFJTEMQFAA-NEPJUHHUSA-N 2 2 295.387 0.409 20 0 CCADLP CCOC(=O)[C@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000932646977 615378611 /nfs/dbraw/zinc/37/86/11/615378611.db2.gz MMUXCMCYZDDTCF-STQMWFEESA-N 2 2 270.373 0.328 20 0 CCADLP CCOC(=O)[C@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000932646977 615378615 /nfs/dbraw/zinc/37/86/15/615378615.db2.gz MMUXCMCYZDDTCF-STQMWFEESA-N 2 2 270.373 0.328 20 0 CCADLP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCF)C1)[NH+](C)C ZINC000898494961 615383629 /nfs/dbraw/zinc/38/36/29/615383629.db2.gz JCRMYJUMVJGMHH-NEPJUHHUSA-N 2 2 259.369 0.877 20 0 CCADLP CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCF)C1)[NH+](C)C ZINC000898494961 615383632 /nfs/dbraw/zinc/38/36/32/615383632.db2.gz JCRMYJUMVJGMHH-NEPJUHHUSA-N 2 2 259.369 0.877 20 0 CCADLP CC[C@@H](C(=O)N[C@H](CO)c1c[nH+]cn1C)[NH+](CC)CC ZINC000912615730 615385378 /nfs/dbraw/zinc/38/53/78/615385378.db2.gz VBIMEEXDTBSASC-NEPJUHHUSA-N 2 2 282.388 0.690 20 0 CCADLP CCO[C@@H](C[NH2+]C[C@H](O)CSC)C[NH+](C)C ZINC000905577811 615410217 /nfs/dbraw/zinc/41/02/17/615410217.db2.gz BSVUXEWCEZVFGB-QWRGUYRKSA-N 2 2 250.408 0.267 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC1CC[NH+](C)CC1 ZINC000913880905 615477994 /nfs/dbraw/zinc/47/79/94/615477994.db2.gz FCIYNDXCZZNVPY-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CC[N@H+](CC)C1 ZINC000922908352 615478857 /nfs/dbraw/zinc/47/88/57/615478857.db2.gz NAXTXZNPHKYCQI-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CC[N@@H+](CC)C1 ZINC000922908352 615478859 /nfs/dbraw/zinc/47/88/59/615478859.db2.gz NAXTXZNPHKYCQI-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]([NH3+])C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000844187274 615522468 /nfs/dbraw/zinc/52/24/68/615522468.db2.gz DZEXXQISKAGZCT-SNVBAGLBSA-N 2 2 263.332 0.912 20 0 CCADLP CC[C@@H]([NH3+])C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000844187274 615522470 /nfs/dbraw/zinc/52/24/70/615522470.db2.gz DZEXXQISKAGZCT-SNVBAGLBSA-N 2 2 263.332 0.912 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000877433737 615568192 /nfs/dbraw/zinc/56/81/92/615568192.db2.gz IBDIKJBGNZNVIO-QJPTWQEYSA-N 2 2 257.378 0.197 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000877433737 615568193 /nfs/dbraw/zinc/56/81/93/615568193.db2.gz IBDIKJBGNZNVIO-QJPTWQEYSA-N 2 2 257.378 0.197 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000877434007 615568768 /nfs/dbraw/zinc/56/87/68/615568768.db2.gz LWTDKFAKYHLHMW-FMKPAKJESA-N 2 2 295.427 0.603 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000877434007 615568769 /nfs/dbraw/zinc/56/87/69/615568769.db2.gz LWTDKFAKYHLHMW-FMKPAKJESA-N 2 2 295.427 0.603 20 0 CCADLP CC[C@H](C(=O)N1CCC[N@H+](CCF)CC1)[NH+](C)C ZINC000981438430 615600745 /nfs/dbraw/zinc/60/07/45/615600745.db2.gz UKYJPRDJXUSQDE-GFCCVEGCSA-N 2 2 259.369 0.830 20 0 CCADLP CCn1cnc2c1CC[N@H+](C[C@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000923558709 615629697 /nfs/dbraw/zinc/62/96/97/615629697.db2.gz TXGZFDNGNPOMCE-GFCCVEGCSA-N 2 2 276.384 0.782 20 0 CCADLP CCn1cnc2c1CC[N@@H+](C[C@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000923558709 615629700 /nfs/dbraw/zinc/62/97/00/615629700.db2.gz TXGZFDNGNPOMCE-GFCCVEGCSA-N 2 2 276.384 0.782 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)C1CC[NH+](C)CC1 ZINC000928635928 615714733 /nfs/dbraw/zinc/71/47/33/615714733.db2.gz PKBDUCIKBXPHRP-CQSZACIVSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@H](CO)[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000931650063 615733271 /nfs/dbraw/zinc/73/32/71/615733271.db2.gz FIVIMRAMGXLNMK-ZIAGYGMSSA-N 2 2 256.390 0.990 20 0 CCADLP CC[C@H](CO)[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000931650063 615733272 /nfs/dbraw/zinc/73/32/72/615733272.db2.gz FIVIMRAMGXLNMK-ZIAGYGMSSA-N 2 2 256.390 0.990 20 0 CCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913540890 615779049 /nfs/dbraw/zinc/77/90/49/615779049.db2.gz AKERJIMYTQTHPK-CHWSQXEVSA-N 2 2 294.399 0.532 20 0 CCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913540890 615779053 /nfs/dbraw/zinc/77/90/53/615779053.db2.gz AKERJIMYTQTHPK-CHWSQXEVSA-N 2 2 294.399 0.532 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000877432105 615816927 /nfs/dbraw/zinc/81/69/27/615816927.db2.gz ASWVDKTUWOMOQZ-RYUDHWBXSA-N 2 2 257.378 0.211 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000877432105 615816929 /nfs/dbraw/zinc/81/69/29/615816929.db2.gz ASWVDKTUWOMOQZ-RYUDHWBXSA-N 2 2 257.378 0.211 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000877432102 615817095 /nfs/dbraw/zinc/81/70/95/615817095.db2.gz ASWVDKTUWOMOQZ-NEPJUHHUSA-N 2 2 257.378 0.211 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000877432102 615817096 /nfs/dbraw/zinc/81/70/96/615817096.db2.gz ASWVDKTUWOMOQZ-NEPJUHHUSA-N 2 2 257.378 0.211 20 0 CCADLP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000928078270 615843761 /nfs/dbraw/zinc/84/37/61/615843761.db2.gz DTZRAIFDJASXCU-NEPJUHHUSA-N 2 2 283.441 0.777 20 0 CCADLP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000928078270 615843764 /nfs/dbraw/zinc/84/37/64/615843764.db2.gz DTZRAIFDJASXCU-NEPJUHHUSA-N 2 2 283.441 0.777 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CC1COC1 ZINC000912386313 615878353 /nfs/dbraw/zinc/87/83/53/615878353.db2.gz CWESMSFZUDXCQB-UHFFFAOYSA-N 2 2 257.378 0.023 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CC1COC1 ZINC000912386313 615878355 /nfs/dbraw/zinc/87/83/55/615878355.db2.gz CWESMSFZUDXCQB-UHFFFAOYSA-N 2 2 257.378 0.023 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(F)(F)C(F)F ZINC000855414654 615878644 /nfs/dbraw/zinc/87/86/44/615878644.db2.gz JCKGPHIAKIYNHQ-UHFFFAOYSA-N 2 2 287.301 0.887 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(F)(F)C(F)F ZINC000855414654 615878647 /nfs/dbraw/zinc/87/86/47/615878647.db2.gz JCKGPHIAKIYNHQ-UHFFFAOYSA-N 2 2 287.301 0.887 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)OC1CCOCC1 ZINC000849429947 615879590 /nfs/dbraw/zinc/87/95/90/615879590.db2.gz YFBVYDLUNPJTJI-UHFFFAOYSA-N 2 2 287.404 0.775 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)OC1CCOCC1 ZINC000849429947 615879593 /nfs/dbraw/zinc/87/95/93/615879593.db2.gz YFBVYDLUNPJTJI-UHFFFAOYSA-N 2 2 287.404 0.775 20 0 CCADLP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900683949 615880880 /nfs/dbraw/zinc/88/08/80/615880880.db2.gz UPZPQDKHEHQBRC-UHFFFAOYSA-N 3 2 295.431 0.684 20 0 CCADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Cc1c[nH+]c[nH]1 ZINC000900586903 615895700 /nfs/dbraw/zinc/89/57/00/615895700.db2.gz SKYYVSNDJJKYDO-ZDUSSCGKSA-N 2 2 280.372 0.521 20 0 CCADLP CN(C)CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000914016964 615897253 /nfs/dbraw/zinc/89/72/53/615897253.db2.gz MDAAWSGJGRBGGN-CQSZACIVSA-N 2 2 297.447 0.016 20 0 CCADLP CN(C)CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000914016964 615897254 /nfs/dbraw/zinc/89/72/54/615897254.db2.gz MDAAWSGJGRBGGN-CQSZACIVSA-N 2 2 297.447 0.016 20 0 CCADLP C[NH+](C)CCNC(=S)NCC(C)(C)[NH+]1CCOCC1 ZINC000916126730 615903611 /nfs/dbraw/zinc/90/36/11/615903611.db2.gz MWZOMSOHGZUVFZ-UHFFFAOYSA-N 2 2 288.461 0.123 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000908445025 615907974 /nfs/dbraw/zinc/90/79/74/615907974.db2.gz ZPJGTWIGBGUBDM-GOFCXVBSSA-N 2 2 295.427 0.818 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000908445025 615907978 /nfs/dbraw/zinc/90/79/78/615907978.db2.gz ZPJGTWIGBGUBDM-GOFCXVBSSA-N 2 2 295.427 0.818 20 0 CCADLP C[NH+](C)CC[C@@H](N)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000846673729 615911255 /nfs/dbraw/zinc/91/12/55/615911255.db2.gz WBJOQCRURFIPQK-OLZOCXBDSA-N 2 2 295.431 0.693 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000875135442 615925819 /nfs/dbraw/zinc/92/58/19/615925819.db2.gz YEEJQJPWLGSFEJ-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H]1COCC[NH+]1CCNC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000875135442 615925825 /nfs/dbraw/zinc/92/58/25/615925825.db2.gz YEEJQJPWLGSFEJ-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H]1COCC[NH+]1CCNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000875135442 615925829 /nfs/dbraw/zinc/92/58/29/615925829.db2.gz YEEJQJPWLGSFEJ-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000843062780 615926443 /nfs/dbraw/zinc/92/64/43/615926443.db2.gz QHMNSGUTULBITA-QWHCGFSZSA-N 2 2 272.776 0.886 20 0 CCADLP C[NH+](C)C[C@@H]1NC(=O)N(Cc2ccn3cc[nH+]c3c2)C1=O ZINC000924674211 615933119 /nfs/dbraw/zinc/93/31/19/615933119.db2.gz YLDVFAKGBXCHKB-NSHDSACASA-N 2 2 287.323 0.316 20 0 CCADLP C[NH+](C)C[C@H](N)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000876737391 615941657 /nfs/dbraw/zinc/94/16/57/615941657.db2.gz SOZOUFFDJRVVKK-AWEZNQCLSA-N 2 2 276.384 0.007 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CCF)C[C@H]32)no1 ZINC000960700392 615953034 /nfs/dbraw/zinc/95/30/34/615953034.db2.gz QWZBPVZEYJQDRM-PJXYFTJBSA-N 2 2 296.346 0.366 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCF)C[C@H]32)no1 ZINC000960700392 615953036 /nfs/dbraw/zinc/95/30/36/615953036.db2.gz QWZBPVZEYJQDRM-PJXYFTJBSA-N 2 2 296.346 0.366 20 0 CCADLP CN(C)C(=O)N(C)[C@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000852653549 615978853 /nfs/dbraw/zinc/97/88/53/615978853.db2.gz WDMUPTAEADNTQX-KBPBESRZSA-N 2 2 298.431 0.131 20 0 CCADLP CN(C)C(=O)N(C)[C@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000852653549 615978854 /nfs/dbraw/zinc/97/88/54/615978854.db2.gz WDMUPTAEADNTQX-KBPBESRZSA-N 2 2 298.431 0.131 20 0 CCADLP C[NH+](C)[C@@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1(C)C ZINC000864063340 615983384 /nfs/dbraw/zinc/98/33/84/615983384.db2.gz JPSYBNWYGDOPOG-GHMZBOCLSA-N 2 2 250.346 0.797 20 0 CCADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000869188271 615984486 /nfs/dbraw/zinc/98/44/86/615984486.db2.gz DFZLLGLANXXZNN-LQOBQMSGSA-N 2 2 281.400 0.331 20 0 CCADLP C[NH+](C)[C@]1(C[NH2+]C[C@@H](O)C2(O)CCC2)CCSC1 ZINC000905146142 615999485 /nfs/dbraw/zinc/99/94/85/615999485.db2.gz GNJQAMSRPBNABS-NEPJUHHUSA-N 2 2 274.430 0.289 20 0 CCADLP CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)O1 ZINC000925629874 616002757 /nfs/dbraw/zinc/00/27/57/616002757.db2.gz MCVRQFJNQOGFPC-AGIUHOORSA-N 2 2 281.400 0.496 20 0 CCADLP CN(C)c1cc(NC[C@H]2CCC[N@@H+]2CCCO)nc[nH+]1 ZINC000894021571 616010883 /nfs/dbraw/zinc/01/08/83/616010883.db2.gz HWLJMVCYFFSZLV-GFCCVEGCSA-N 2 2 279.388 0.801 20 0 CCADLP CN(C)c1cc(NC[C@H]2CCC[N@H+]2CCCO)nc[nH+]1 ZINC000894021571 616010885 /nfs/dbraw/zinc/01/08/85/616010885.db2.gz HWLJMVCYFFSZLV-GFCCVEGCSA-N 2 2 279.388 0.801 20 0 CCADLP CC[S@](=O)CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000848531972 616016755 /nfs/dbraw/zinc/01/67/55/616016755.db2.gz YMFVNNVIRVIJFI-KUHUBIRLSA-N 2 2 288.457 0.988 20 0 CCADLP C[NH+](C)c1ccc(N2CCC([NH2+]C(CO)CO)CC2)cc1 ZINC000122262977 616016991 /nfs/dbraw/zinc/01/69/91/616016991.db2.gz FJVWTTBFZRYFRO-UHFFFAOYSA-N 2 2 293.411 0.664 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1)C1CCC1 ZINC000913453396 616044275 /nfs/dbraw/zinc/04/42/75/616044275.db2.gz MEMPTMLVHACZII-ZDUSSCGKSA-N 2 2 277.372 0.367 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1)C1CCC1 ZINC000913453396 616044276 /nfs/dbraw/zinc/04/42/76/616044276.db2.gz MEMPTMLVHACZII-ZDUSSCGKSA-N 2 2 277.372 0.367 20 0 CCADLP C[N@H+](CC(=O)NC[C@H]1CC[NH+]1C)[C@H]1CCSC1 ZINC000928559216 616047807 /nfs/dbraw/zinc/04/78/07/616047807.db2.gz JWIXHWVBUOABQX-MNOVXSKESA-N 2 2 257.403 0.244 20 0 CCADLP C[N@@H+](CC(=O)NC[C@H]1CC[NH+]1C)[C@H]1CCSC1 ZINC000928559216 616047808 /nfs/dbraw/zinc/04/78/08/616047808.db2.gz JWIXHWVBUOABQX-MNOVXSKESA-N 2 2 257.403 0.244 20 0 CCADLP C[NH+](CC(=O)NC[C@H]1CC[N@@H+]1C)[C@H]1CCSC1 ZINC000928559216 616047809 /nfs/dbraw/zinc/04/78/09/616047809.db2.gz JWIXHWVBUOABQX-MNOVXSKESA-N 2 2 257.403 0.244 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]([N@H+](C)CC2CC2)C1 ZINC000972725751 616062558 /nfs/dbraw/zinc/06/25/58/616062558.db2.gz XRWVKHHWQRPJQT-ZDUSSCGKSA-N 2 2 276.384 0.905 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]([N@@H+](C)CC2CC2)C1 ZINC000972725751 616062559 /nfs/dbraw/zinc/06/25/59/616062559.db2.gz XRWVKHHWQRPJQT-ZDUSSCGKSA-N 2 2 276.384 0.905 20 0 CCADLP CN(CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)CCOCCO ZINC000926858715 616097058 /nfs/dbraw/zinc/09/70/58/616097058.db2.gz PFYJWUYZWHNIOS-HOTGVXAUSA-N 2 2 299.459 0.534 20 0 CCADLP CN(CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)CCOCCO ZINC000926858715 616097060 /nfs/dbraw/zinc/09/70/60/616097060.db2.gz PFYJWUYZWHNIOS-HOTGVXAUSA-N 2 2 299.459 0.534 20 0 CCADLP C[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)[C@@H]1CCOC1 ZINC000903891713 616098576 /nfs/dbraw/zinc/09/85/76/616098576.db2.gz NWOOEHQPDGOGDC-NWDGAFQWSA-N 2 2 265.361 0.423 20 0 CCADLP C[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)[C@@H]1CCOC1 ZINC000903891713 616098577 /nfs/dbraw/zinc/09/85/77/616098577.db2.gz NWOOEHQPDGOGDC-NWDGAFQWSA-N 2 2 265.361 0.423 20 0 CCADLP C[N@H+](CCO)CCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000888071036 616104754 /nfs/dbraw/zinc/10/47/54/616104754.db2.gz FNEDYPHFNZFPCF-UHFFFAOYSA-N 2 2 277.328 0.380 20 0 CCADLP C[N@@H+](CCO)CCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000888071036 616104755 /nfs/dbraw/zinc/10/47/55/616104755.db2.gz FNEDYPHFNZFPCF-UHFFFAOYSA-N 2 2 277.328 0.380 20 0 CCADLP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865168435 616168861 /nfs/dbraw/zinc/16/88/61/616168861.db2.gz WEYORRYJSVCOGK-LBPRGKRZSA-N 2 2 266.345 0.243 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H](O)C3CC3)C2)CC1 ZINC000827414516 616172702 /nfs/dbraw/zinc/17/27/02/616172702.db2.gz WQOPGNSINFHXRC-GXTWGEPZSA-N 2 2 281.400 0.042 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H](O)C3CC3)C2)CC1 ZINC000827414516 616172703 /nfs/dbraw/zinc/17/27/03/616172703.db2.gz WQOPGNSINFHXRC-GXTWGEPZSA-N 2 2 281.400 0.042 20 0 CCADLP C[NH+]1CCC(OCC(=O)OCc2ccc(N)[nH+]c2)CC1 ZINC000923786253 616175796 /nfs/dbraw/zinc/17/57/96/616175796.db2.gz SILGKYSMXUJMQV-UHFFFAOYSA-N 2 2 279.340 0.818 20 0 CCADLP C[NH+]1CCC(OCC(=O)OCc2ccc[nH+]c2N)CC1 ZINC000923786525 616175839 /nfs/dbraw/zinc/17/58/39/616175839.db2.gz VFTREDQMKCFGRQ-UHFFFAOYSA-N 2 2 279.340 0.818 20 0 CCADLP C[NH+]1CCC2(CCN(C(=O)[C@@H](O)c3c[nH+]c[nH]3)C2)CC1 ZINC000868410232 616176557 /nfs/dbraw/zinc/17/65/57/616176557.db2.gz DOJSFPCBSPJQEU-LBPRGKRZSA-N 2 2 278.356 0.387 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CC[C@@H]1CCNC1=O ZINC000880141392 616200325 /nfs/dbraw/zinc/20/03/25/616200325.db2.gz IDTHWXHHWSAGDW-YNEHKIRRSA-N 2 2 251.374 0.681 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CC[C@@H]1CCNC1=O ZINC000880141392 616200326 /nfs/dbraw/zinc/20/03/26/616200326.db2.gz IDTHWXHHWSAGDW-YNEHKIRRSA-N 2 2 251.374 0.681 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CC[C@@H]1CCNC1=O ZINC000880141392 616200327 /nfs/dbraw/zinc/20/03/27/616200327.db2.gz IDTHWXHHWSAGDW-YNEHKIRRSA-N 2 2 251.374 0.681 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CC[C@@H]1CCNC1=O ZINC000880141392 616200328 /nfs/dbraw/zinc/20/03/28/616200328.db2.gz IDTHWXHHWSAGDW-YNEHKIRRSA-N 2 2 251.374 0.681 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000897004261 616211958 /nfs/dbraw/zinc/21/19/58/616211958.db2.gz FLMFKZNMMPOBEF-KFWWJZLASA-N 2 2 295.427 0.840 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000897004261 616211959 /nfs/dbraw/zinc/21/19/59/616211959.db2.gz FLMFKZNMMPOBEF-KFWWJZLASA-N 2 2 295.427 0.840 20 0 CCADLP C[N@@H+]1CCC[C@](O)(CC(=O)N[C@H]2CCn3c[nH+]cc32)C1 ZINC000912585558 616219150 /nfs/dbraw/zinc/21/91/50/616219150.db2.gz YDUCAWXWTLCOMU-FZMZJTMJSA-N 2 2 278.356 0.291 20 0 CCADLP C[N@H+]1CCC[C@](O)(CC(=O)N[C@H]2CCn3c[nH+]cc32)C1 ZINC000912585558 616219151 /nfs/dbraw/zinc/21/91/51/616219151.db2.gz YDUCAWXWTLCOMU-FZMZJTMJSA-N 2 2 278.356 0.291 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CC[C@H]2C2CC2)CC1 ZINC000806133780 616223755 /nfs/dbraw/zinc/22/37/55/616223755.db2.gz DSBCSMCFGOGVLF-QWHCGFSZSA-N 2 2 251.374 0.539 20 0 CCADLP CN1CC[NH+](CCCNC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000899991197 616241102 /nfs/dbraw/zinc/24/11/02/616241102.db2.gz CSWFILWWJZERLK-CQSZACIVSA-N 2 2 296.459 0.613 20 0 CCADLP CN1CC[NH+](CCCNC(=O)[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000899991197 616241103 /nfs/dbraw/zinc/24/11/03/616241103.db2.gz CSWFILWWJZERLK-CQSZACIVSA-N 2 2 296.459 0.613 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[NH+](CCCF)CC2)C1 ZINC000980893418 616257763 /nfs/dbraw/zinc/25/77/63/616257763.db2.gz KXHOBOPOIYIPHU-ZDUSSCGKSA-N 2 2 287.379 0.211 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[NH+](CCCF)CC2)C1 ZINC000980893418 616257764 /nfs/dbraw/zinc/25/77/64/616257764.db2.gz KXHOBOPOIYIPHU-ZDUSSCGKSA-N 2 2 287.379 0.211 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CCC[N@H+](CCCF)CC2)C1 ZINC000980893418 616257765 /nfs/dbraw/zinc/25/77/65/616257765.db2.gz KXHOBOPOIYIPHU-ZDUSSCGKSA-N 2 2 287.379 0.211 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CCC[N@@H+](CCCF)CC2)C1 ZINC000980893418 616257766 /nfs/dbraw/zinc/25/77/66/616257766.db2.gz KXHOBOPOIYIPHU-ZDUSSCGKSA-N 2 2 287.379 0.211 20 0 CCADLP COC(=O)/C(C)=C/C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000830638265 616282537 /nfs/dbraw/zinc/28/25/37/616282537.db2.gz YBMUUNSGKKCYFO-YIXHJXPBSA-N 2 2 282.384 0.902 20 0 CCADLP COC(=O)/C(C)=C/C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000830638265 616282539 /nfs/dbraw/zinc/28/25/39/616282539.db2.gz YBMUUNSGKKCYFO-YIXHJXPBSA-N 2 2 282.384 0.902 20 0 CCADLP C[N@@H+]1CC[C@@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000925408795 616290123 /nfs/dbraw/zinc/29/01/23/616290123.db2.gz BKCATIWZDYJTDC-KGLIPLIRSA-N 2 2 296.415 0.197 20 0 CCADLP C[N@H+]1CC[C@@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000925408795 616290126 /nfs/dbraw/zinc/29/01/26/616290126.db2.gz BKCATIWZDYJTDC-KGLIPLIRSA-N 2 2 296.415 0.197 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827276749 616313916 /nfs/dbraw/zinc/31/39/16/616313916.db2.gz FJIXSGOHKDMPHC-TZMCWYRMSA-N 2 2 276.384 0.905 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000827276749 616313917 /nfs/dbraw/zinc/31/39/17/616313917.db2.gz FJIXSGOHKDMPHC-TZMCWYRMSA-N 2 2 276.384 0.905 20 0 CCADLP COCC[NH+]1CCC(NC(=O)CNc2cccc[nH+]2)CC1 ZINC000900382743 616324525 /nfs/dbraw/zinc/32/45/25/616324525.db2.gz IDFJQZRTSXIQOL-UHFFFAOYSA-N 2 2 292.383 0.721 20 0 CCADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000830577627 616343127 /nfs/dbraw/zinc/34/31/27/616343127.db2.gz WEWXJZNPBDDSGX-NWDGAFQWSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000830577627 616343135 /nfs/dbraw/zinc/34/31/35/616343135.db2.gz WEWXJZNPBDDSGX-NWDGAFQWSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CC[NH+](CCO)CC1 ZINC000925832012 616362903 /nfs/dbraw/zinc/36/29/03/616362903.db2.gz QKLADHYSMNULFS-NNQSOWQGSA-N 3 2 267.417 0.373 20 0 CCADLP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CC[NH+](CCO)CC1 ZINC000925832012 616362909 /nfs/dbraw/zinc/36/29/09/616362909.db2.gz QKLADHYSMNULFS-NNQSOWQGSA-N 3 2 267.417 0.373 20 0 CCADLP COC/C=C/C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000865800420 616391328 /nfs/dbraw/zinc/39/13/28/616391328.db2.gz YWFJIGUVKKAZHD-AATRIKPKSA-N 2 2 283.416 0.673 20 0 CCADLP COC/C=C/C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000865800420 616391332 /nfs/dbraw/zinc/39/13/32/616391332.db2.gz YWFJIGUVKKAZHD-AATRIKPKSA-N 2 2 283.416 0.673 20 0 CCADLP Cn1nnnc1CC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931316955 616396749 /nfs/dbraw/zinc/39/67/49/616396749.db2.gz LSMOMOHOAQIGSJ-BETUJISGSA-N 2 2 264.377 0.026 20 0 CCADLP Cn1nnnc1CC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931316955 616396751 /nfs/dbraw/zinc/39/67/51/616396751.db2.gz LSMOMOHOAQIGSJ-BETUJISGSA-N 2 2 264.377 0.026 20 0 CCADLP Cn1nnnc1CC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931316955 616396756 /nfs/dbraw/zinc/39/67/56/616396756.db2.gz LSMOMOHOAQIGSJ-BETUJISGSA-N 2 2 264.377 0.026 20 0 CCADLP Cn1nnnc1CC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931316955 616396761 /nfs/dbraw/zinc/39/67/61/616396761.db2.gz LSMOMOHOAQIGSJ-BETUJISGSA-N 2 2 264.377 0.026 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945810389 616416035 /nfs/dbraw/zinc/41/60/35/616416035.db2.gz WWPJLGNHEPATLZ-STQMWFEESA-N 2 2 280.372 0.356 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945810389 616416038 /nfs/dbraw/zinc/41/60/38/616416038.db2.gz WWPJLGNHEPATLZ-STQMWFEESA-N 2 2 280.372 0.356 20 0 CCADLP CN1C[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1=O ZINC000924895205 616447816 /nfs/dbraw/zinc/44/78/16/616447816.db2.gz GHUXEWQXVFIVAU-UPJWGTAASA-N 2 2 251.374 0.824 20 0 CCADLP CN1C[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1=O ZINC000924895205 616447818 /nfs/dbraw/zinc/44/78/18/616447818.db2.gz GHUXEWQXVFIVAU-UPJWGTAASA-N 2 2 251.374 0.824 20 0 CCADLP COC(=O)[C@@H]1[C@@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1(F)F ZINC000894098379 616503753 /nfs/dbraw/zinc/50/37/53/616503753.db2.gz ZSPFOEVQFZVTRE-RGOKHQFPSA-N 2 2 260.284 0.192 20 0 CCADLP COC(=O)[C@@H]1[C@@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1(F)F ZINC000894098379 616503757 /nfs/dbraw/zinc/50/37/57/616503757.db2.gz ZSPFOEVQFZVTRE-RGOKHQFPSA-N 2 2 260.284 0.192 20 0 CCADLP COC(=O)[C@@H]1[C@H](C[NH2+][C@@H](C)C[NH+](C)C)C1(F)F ZINC000894760355 616515809 /nfs/dbraw/zinc/51/58/09/616515809.db2.gz JEQHRYFGMCOYEQ-CIUDSAMLSA-N 2 2 250.289 0.580 20 0 CCADLP COC(=O)[C@@](C)(Cn1cccn1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000903862744 616535776 /nfs/dbraw/zinc/53/57/76/616535776.db2.gz DMZJCHWHTZWULP-GXTWGEPZSA-N 2 2 280.372 0.404 20 0 CCADLP COCCOCCOCCC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000852750989 616550104 /nfs/dbraw/zinc/55/01/04/616550104.db2.gz LSXQSQQQPMDLHO-OAHLLOKOSA-N 2 2 286.416 0.884 20 0 CCADLP COCCOCCOCCC[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000852750989 616550108 /nfs/dbraw/zinc/55/01/08/616550108.db2.gz LSXQSQQQPMDLHO-OAHLLOKOSA-N 2 2 286.416 0.884 20 0 CCADLP COCC[C@@H](C)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883370491 616619487 /nfs/dbraw/zinc/61/94/87/616619487.db2.gz MOXCMTUDZFVDHV-CVEARBPZSA-N 2 2 299.459 0.798 20 0 CCADLP COCCn1cc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cn1 ZINC000873229379 616733907 /nfs/dbraw/zinc/73/39/07/616733907.db2.gz VMDILRLCOGGVAN-UONOGXRCSA-N 2 2 264.373 0.571 20 0 CCADLP COCCn1cc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cn1 ZINC000873229379 616733908 /nfs/dbraw/zinc/73/39/08/616733908.db2.gz VMDILRLCOGGVAN-UONOGXRCSA-N 2 2 264.373 0.571 20 0 CCADLP COC(=O)[C@H]1[C@@H](C[NH2+]CCCn2cc[nH+]c2)C1(F)F ZINC000894146120 616734043 /nfs/dbraw/zinc/73/40/43/616734043.db2.gz SCXOCNAHBAJKSE-NXEZZACHSA-N 2 2 273.283 0.917 20 0 CCADLP CO[C@H]1C[C@H](C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000925734582 616845818 /nfs/dbraw/zinc/84/58/18/616845818.db2.gz AXNBPTQCQIZEAK-DOERSZECSA-N 2 2 254.374 0.768 20 0 CCADLP COCCC1([NH2+]Cc2[nH]ncc2C)CC[NH2+]CC1 ZINC000873224651 616850663 /nfs/dbraw/zinc/85/06/63/616850663.db2.gz DXZDVYNWRPUCRC-UHFFFAOYSA-N 2 2 252.362 0.966 20 0 CCADLP COCCC1([NH2+]Cc2n[nH]cc2C)CC[NH2+]CC1 ZINC000873224651 616850665 /nfs/dbraw/zinc/85/06/65/616850665.db2.gz DXZDVYNWRPUCRC-UHFFFAOYSA-N 2 2 252.362 0.966 20 0 CCADLP COCC[N@H+](C)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000896096797 616956575 /nfs/dbraw/zinc/95/65/75/616956575.db2.gz HOIBOHQPPNBVEM-UHFFFAOYSA-N 2 2 282.388 0.621 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000896096797 616956580 /nfs/dbraw/zinc/95/65/80/616956580.db2.gz HOIBOHQPPNBVEM-UHFFFAOYSA-N 2 2 282.388 0.621 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCOCC[C@H]1C ZINC000846847836 616967369 /nfs/dbraw/zinc/96/73/69/616967369.db2.gz OQEYTQZZGGINHZ-OLZOCXBDSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCOCC[C@H]1C ZINC000846847836 616967371 /nfs/dbraw/zinc/96/73/71/616967371.db2.gz OQEYTQZZGGINHZ-OLZOCXBDSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCOCC[C@H]1C ZINC000846847836 616967374 /nfs/dbraw/zinc/96/73/74/616967374.db2.gz OQEYTQZZGGINHZ-OLZOCXBDSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCOCC[C@H]1C ZINC000846847836 616967377 /nfs/dbraw/zinc/96/73/77/616967377.db2.gz OQEYTQZZGGINHZ-OLZOCXBDSA-N 2 2 260.378 0.036 20 0 CCADLP C[NH2+]C[C@@H]1CCCC[N@@H+]1C[C@H](O)COC[C@H]1CCCO1 ZINC000923430503 616979839 /nfs/dbraw/zinc/97/98/39/616979839.db2.gz MRARZJRUUFDIDJ-SOUVJXGZSA-N 2 2 286.416 0.617 20 0 CCADLP C[NH2+]C[C@@H]1CCCC[N@H+]1C[C@H](O)COC[C@H]1CCCO1 ZINC000923430503 616979844 /nfs/dbraw/zinc/97/98/44/616979844.db2.gz MRARZJRUUFDIDJ-SOUVJXGZSA-N 2 2 286.416 0.617 20 0 CCADLP C[NH2+]C[C@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cccn1 ZINC000923424168 616996381 /nfs/dbraw/zinc/99/63/81/616996381.db2.gz OTDLCRIYADOUPH-CHWSQXEVSA-N 2 2 252.362 0.318 20 0 CCADLP C[NH2+]C[C@H]1CCCC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC000923424168 616996385 /nfs/dbraw/zinc/99/63/85/616996385.db2.gz OTDLCRIYADOUPH-CHWSQXEVSA-N 2 2 252.362 0.318 20 0 CCADLP C[NH2+]C[C@H]1CCCC[N@@H+]1C[C@H](O)COC[C@@H]1CCCO1 ZINC000923423723 616996782 /nfs/dbraw/zinc/99/67/82/616996782.db2.gz MRARZJRUUFDIDJ-ILXRZTDVSA-N 2 2 286.416 0.617 20 0 CCADLP C[NH2+]C[C@H]1CCCC[N@H+]1C[C@H](O)COC[C@@H]1CCCO1 ZINC000923423723 616996785 /nfs/dbraw/zinc/99/67/85/616996785.db2.gz MRARZJRUUFDIDJ-ILXRZTDVSA-N 2 2 286.416 0.617 20 0 CCADLP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000911737017 617046962 /nfs/dbraw/zinc/04/69/62/617046962.db2.gz QEGGNNATUWSWLE-IJLUTSLNSA-N 2 2 262.357 0.734 20 0 CCADLP CNc1cc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)nc[nH+]1 ZINC000892320401 617058717 /nfs/dbraw/zinc/05/87/17/617058717.db2.gz VUJIIYVDIKIPCD-NWDGAFQWSA-N 2 2 277.372 0.554 20 0 CCADLP COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000977641393 617068660 /nfs/dbraw/zinc/06/86/60/617068660.db2.gz DHJJBEJRWXGLIH-QWHCGFSZSA-N 2 2 294.399 0.745 20 0 CCADLP COC[C@H](C)[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000977641393 617068664 /nfs/dbraw/zinc/06/86/64/617068664.db2.gz DHJJBEJRWXGLIH-QWHCGFSZSA-N 2 2 294.399 0.745 20 0 CCADLP CON1CCC([NH2+]CC2([NH+](C)C)CCOCC2)CC1 ZINC000925063416 617088124 /nfs/dbraw/zinc/08/81/24/617088124.db2.gz SKZKZYBWPNLHMY-UHFFFAOYSA-N 2 2 271.405 0.713 20 0 CCADLP CON1CC[C@@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1=O ZINC000929804354 617092742 /nfs/dbraw/zinc/09/27/42/617092742.db2.gz VMYKBFFTNQZDJV-LLVKDONJSA-N 2 2 264.329 0.751 20 0 CCADLP CON1CC[C@H]([N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)C1=O ZINC000929847682 617099357 /nfs/dbraw/zinc/09/93/57/617099357.db2.gz NFWJDOLTAPLWMQ-AGIUHOORSA-N 2 2 267.373 0.565 20 0 CCADLP CON1CC[C@H]([N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)C1=O ZINC000929847682 617099359 /nfs/dbraw/zinc/09/93/59/617099359.db2.gz NFWJDOLTAPLWMQ-AGIUHOORSA-N 2 2 267.373 0.565 20 0 CCADLP CON1CC[C@H]([NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)C1=O ZINC000929847682 617099361 /nfs/dbraw/zinc/09/93/61/617099361.db2.gz NFWJDOLTAPLWMQ-AGIUHOORSA-N 2 2 267.373 0.565 20 0 CCADLP CON1CC[C@H]([NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)C1=O ZINC000929847682 617099363 /nfs/dbraw/zinc/09/93/63/617099363.db2.gz NFWJDOLTAPLWMQ-AGIUHOORSA-N 2 2 267.373 0.565 20 0 CCADLP CO[C@H]1COCC[C@@H]1[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000883461133 617114447 /nfs/dbraw/zinc/11/44/47/617114447.db2.gz OKXKHAQEPYGTKZ-UWVGGRQHSA-N 2 2 284.360 0.499 20 0 CCADLP CO[C@H]1COCC[C@@H]1[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000883461133 617114448 /nfs/dbraw/zinc/11/44/48/617114448.db2.gz OKXKHAQEPYGTKZ-UWVGGRQHSA-N 2 2 284.360 0.499 20 0 CCADLP CO[C@@H](C)C[NH+]1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000949554810 617153536 /nfs/dbraw/zinc/15/35/36/617153536.db2.gz TXPCHFRVSWMSRW-ZDUSSCGKSA-N 2 2 280.372 0.452 20 0 CCADLP c1[nH+]cn2ccnc(N3CC[N@H+]4CCOC[C@H]4C3)c12 ZINC000893157230 625338542 /nfs/dbraw/zinc/33/85/42/625338542.db2.gz IETHXDMIQXMTHI-LLVKDONJSA-N 2 2 259.313 0.250 20 0 CCADLP c1[nH+]cn2ccnc(N3CC[N@@H+]4CCOC[C@H]4C3)c12 ZINC000893157230 625338543 /nfs/dbraw/zinc/33/85/43/625338543.db2.gz IETHXDMIQXMTHI-LLVKDONJSA-N 2 2 259.313 0.250 20 0 CCADLP C[C@H](C[NH2+][C@H]1CCC[NH2+][C@@H]1C)CN1CCOCC1 ZINC000925510260 625335450 /nfs/dbraw/zinc/33/54/50/625335450.db2.gz VINUOFJNEZWWJC-MCIONIFRSA-N 2 2 255.406 0.685 20 0 CCADLP C[C@H](CN[C@H]1CCC[NH2+][C@@H]1C)C[NH+]1CCOCC1 ZINC000925510260 625335455 /nfs/dbraw/zinc/33/54/55/625335455.db2.gz VINUOFJNEZWWJC-MCIONIFRSA-N 2 2 255.406 0.685 20 0 CCADLP CS(=O)(=O)CCOCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925571372 625421853 /nfs/dbraw/zinc/42/18/53/625421853.db2.gz HEOTUXUDLGPNHF-LBPRGKRZSA-N 2 2 290.429 0.312 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CC[C@@H]([NH2+]CCF)[C@H]2C1 ZINC001026388850 625424660 /nfs/dbraw/zinc/42/46/60/625424660.db2.gz SORPQYLARFGFBF-SDDRHHMPSA-N 2 2 280.347 0.748 20 0 CCADLP CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]21 ZINC001026400062 625431656 /nfs/dbraw/zinc/43/16/56/625431656.db2.gz CVLGOENWVMRHFD-IACUBPJLSA-N 2 2 276.384 0.809 20 0 CCADLP C[C@@H](O)C[NH2+]C1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001026568671 625474581 /nfs/dbraw/zinc/47/45/81/625474581.db2.gz RIAXSXXPPJPFFO-VOMCLLRMSA-N 2 2 280.372 0.350 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+]Cc2cncs2)C1 ZINC001022775984 622744171 /nfs/dbraw/zinc/74/41/71/622744171.db2.gz RFNYGKJHJZOCBU-AOOOYVTPSA-N 2 2 291.380 0.846 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccn2)C1 ZINC001022976865 622876076 /nfs/dbraw/zinc/87/60/76/622876076.db2.gz LPBNZCLKCDTBIQ-OKILXGFUSA-N 2 2 299.378 0.795 20 0 CCADLP C[C@@H]1NC(=O)N(CC[NH+]2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)C1=O ZINC000931319184 625603650 /nfs/dbraw/zinc/60/36/50/625603650.db2.gz XLFRSTAAPFQWEH-CQDKDKBSSA-N 2 2 294.399 0.200 20 0 CCADLP C=CCNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000066245102 623441797 /nfs/dbraw/zinc/44/17/97/623441797.db2.gz SKQOEKBNBHHGSP-ZDUSSCGKSA-N 2 2 267.421 0.349 20 0 CCADLP COCC[C@H]([NH3+])C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000052790927 623484159 /nfs/dbraw/zinc/48/41/59/623484159.db2.gz RCDZXQDDBDLGBX-LBPRGKRZSA-N 2 2 278.356 0.094 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892550508 623521295 /nfs/dbraw/zinc/52/12/95/623521295.db2.gz LVMKNWQOEYPANM-YIYPIFLZSA-N 2 2 296.415 0.228 20 0 CCADLP Cc1cc(F)ncc1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000892712695 623805234 /nfs/dbraw/zinc/80/52/34/623805234.db2.gz CZRKIAGKNAOOER-UHFFFAOYSA-N 2 2 280.347 0.393 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCC(C)(C)[NH3+] ZINC000892849382 623852973 /nfs/dbraw/zinc/85/29/73/623852973.db2.gz IFNKSYCBMMKXOW-CHWSQXEVSA-N 2 2 298.431 0.618 20 0 CCADLP C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000969317984 624484883 /nfs/dbraw/zinc/48/48/83/624484883.db2.gz OJLVFCZKYLHORJ-NWDGAFQWSA-N 2 2 288.351 0.519 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001020633341 624555133 /nfs/dbraw/zinc/55/51/33/624555133.db2.gz GTXHRAVNFCEQON-SRVKXCTJSA-N 2 2 278.356 0.226 20 0 CCADLP Cn1cncc1C[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001020635016 624556298 /nfs/dbraw/zinc/55/62/98/624556298.db2.gz APUQUPGWVRTLDH-XYPYZODXSA-N 2 2 288.355 0.123 20 0 CCADLP C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1C[NH+](CCO)C1 ZINC000969969497 624566075 /nfs/dbraw/zinc/56/60/75/624566075.db2.gz CAXIOKCGKAJYNK-JTQLQIEISA-N 2 2 288.351 0.605 20 0 CCADLP Cc1nocc1C[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001020818902 624606545 /nfs/dbraw/zinc/60/65/45/624606545.db2.gz ISIFIRWSBXXXBO-HAQNSBGRSA-N 2 2 289.339 0.686 20 0 CCADLP CC(C)C[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001020818641 624606701 /nfs/dbraw/zinc/60/67/01/624606701.db2.gz WCUFKBPYXHJXJC-XYPYZODXSA-N 2 2 250.346 0.845 20 0 CCADLP CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001021079532 624658436 /nfs/dbraw/zinc/65/84/36/624658436.db2.gz ADYPEQWAYIDYAX-RBSFLKMASA-N 2 2 295.427 0.744 20 0 CCADLP O=C(N[C@H]1C[C@H]([NH2+]CCF)C1)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001021081212 624658818 /nfs/dbraw/zinc/65/88/18/624658818.db2.gz WYVQEIOCLKONHX-IHRRRGAJSA-N 2 2 299.390 0.304 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]Cc2cncs2)C1 ZINC001021126491 624662592 /nfs/dbraw/zinc/66/25/92/624662592.db2.gz PWJHLXXISUOBIF-XYPYZODXSA-N 2 2 291.380 0.777 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+]C[C@@H]2CCCCO2)C1 ZINC000970342217 624678769 /nfs/dbraw/zinc/67/87/69/624678769.db2.gz XKDGATAVAHKZIT-OLZOCXBDSA-N 2 2 292.383 0.712 20 0 CCADLP CC1CCC(NC(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000050248128 624803910 /nfs/dbraw/zinc/80/39/10/624803910.db2.gz PAHDSUVSLJZIBB-CPCZMJQVSA-N 2 2 253.390 0.962 20 0 CCADLP CC1CCC(NC(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000050248128 624803915 /nfs/dbraw/zinc/80/39/15/624803915.db2.gz PAHDSUVSLJZIBB-CPCZMJQVSA-N 2 2 253.390 0.962 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)NCC[NH+]1CCC(O)CC1 ZINC000891427440 624862170 /nfs/dbraw/zinc/86/21/70/624862170.db2.gz UKMOJYWKIFIJCL-UHFFFAOYSA-N 2 2 295.387 0.029 20 0 CCADLP C[C@H](NC(=O)NCCC(C)(C)[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000891519258 624881426 /nfs/dbraw/zinc/88/14/26/624881426.db2.gz ZLSGYJBFJJDENT-RYUDHWBXSA-N 2 2 286.420 0.522 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000891707562 624910725 /nfs/dbraw/zinc/91/07/25/624910725.db2.gz CGVAWRHZNDXZDL-UPJWGTAASA-N 2 2 289.383 0.791 20 0 CCADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891820119 624937319 /nfs/dbraw/zinc/93/73/19/624937319.db2.gz WHVWTXDTCJCNQZ-SDDRHHMPSA-N 2 2 275.356 0.344 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000891895053 624980165 /nfs/dbraw/zinc/98/01/65/624980165.db2.gz ASQTWVBMPZPWIG-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC[N@H+]1CCC[C@H]1C ZINC000891895053 624980176 /nfs/dbraw/zinc/98/01/76/624980176.db2.gz ASQTWVBMPZPWIG-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NCCC[NH2+]C1CC1 ZINC000891967403 625010936 /nfs/dbraw/zinc/01/09/36/625010936.db2.gz BHSAKQCECJSXKB-UHFFFAOYSA-N 2 2 251.334 0.361 20 0 CCADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@H]1COCCN1C)c1ccccc1 ZINC000925720518 625762779 /nfs/dbraw/zinc/76/27/79/625762779.db2.gz YJTBZJMMDNNXIG-QEJZJMRPSA-N 2 2 263.385 0.995 20 0 CCADLP CC(C)[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027246179 625767653 /nfs/dbraw/zinc/76/76/53/625767653.db2.gz QVKVOOKZQHVTMJ-GFCCVEGCSA-N 2 2 250.346 0.730 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903028405 634529277 /nfs/dbraw/zinc/52/92/77/634529277.db2.gz NYHHNXSXPXABJP-KBPBESRZSA-N 2 2 291.399 0.420 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903028405 634529282 /nfs/dbraw/zinc/52/92/82/634529282.db2.gz NYHHNXSXPXABJP-KBPBESRZSA-N 2 2 291.399 0.420 20 0 CCADLP c1cn(CCC[NH2+][C@@H]2CCO[C@@]23CCOC3)c[nH+]1 ZINC000903055401 634529471 /nfs/dbraw/zinc/52/94/71/634529471.db2.gz FDOZAXXNGPGBST-CHWSQXEVSA-N 2 2 251.330 0.811 20 0 CCADLP c1cnc(N2CC[NH+](C[C@@H]3CCCC[NH2+]C3)CC2)nn1 ZINC000903769342 634644709 /nfs/dbraw/zinc/64/47/09/634644709.db2.gz DHHKWRAFYLGTHE-CYBMUJFWSA-N 2 2 276.388 0.383 20 0 CCADLP Cn1cncc1C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903817777 634653783 /nfs/dbraw/zinc/65/37/83/634653783.db2.gz IGEXHMNZGALNMA-UHFFFAOYSA-N 2 2 264.373 0.765 20 0 CCADLP Cn1cncc1C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903817777 634653786 /nfs/dbraw/zinc/65/37/86/634653786.db2.gz IGEXHMNZGALNMA-UHFFFAOYSA-N 2 2 264.373 0.765 20 0 CCADLP Cn1c[nH+]cc1CN1CC[NH2+]CCC12CCOCC2 ZINC000903817777 634653790 /nfs/dbraw/zinc/65/37/90/634653790.db2.gz IGEXHMNZGALNMA-UHFFFAOYSA-N 2 2 264.373 0.765 20 0 CCADLP OCC[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000903883867 634676703 /nfs/dbraw/zinc/67/67/03/634676703.db2.gz LARLCYYCQGBTAF-GFCCVEGCSA-N 2 2 265.361 0.159 20 0 CCADLP OCC[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000903883867 634676709 /nfs/dbraw/zinc/67/67/09/634676709.db2.gz LARLCYYCQGBTAF-GFCCVEGCSA-N 2 2 265.361 0.159 20 0 CCADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCOC[C@@H]2C2CC2)cnn1C ZINC000903895458 634679520 /nfs/dbraw/zinc/67/95/20/634679520.db2.gz OAXXEQCPVVGPMF-XJKSGUPXSA-N 2 2 292.427 0.957 20 0 CCADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCOC[C@@H]2C2CC2)cnn1C ZINC000903895458 634679522 /nfs/dbraw/zinc/67/95/22/634679522.db2.gz OAXXEQCPVVGPMF-XJKSGUPXSA-N 2 2 292.427 0.957 20 0 CCADLP Cc1c(C[C@@H](C[NH3+])C[NH2+]CCC[NH2+]C2CC2)cnn1C ZINC000903919592 634687009 /nfs/dbraw/zinc/68/70/09/634687009.db2.gz OOKONSZSOCWYDZ-ZDUSSCGKSA-N 3 2 279.432 0.578 20 0 CCADLP FC1(F)[C@H]2C[N@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C[C@H]21 ZINC000903931405 634690320 /nfs/dbraw/zinc/69/03/20/634690320.db2.gz CSYCHHSWSSYULK-JLLWLGSASA-N 2 2 283.326 0.900 20 0 CCADLP FC1(F)[C@H]2C[N@@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C[C@H]21 ZINC000903931405 634690327 /nfs/dbraw/zinc/69/03/27/634690327.db2.gz CSYCHHSWSSYULK-JLLWLGSASA-N 2 2 283.326 0.900 20 0 CCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903930348 634690606 /nfs/dbraw/zinc/69/06/06/634690606.db2.gz XUDJMTWJMJTFQS-MRVWCRGKSA-N 3 2 278.404 0.562 20 0 CCADLP [NH3+][C@H](C[NH2+][C@@H]1CCN(C2CCC2)C1=O)CC(F)F ZINC000903935134 634693488 /nfs/dbraw/zinc/69/34/88/634693488.db2.gz NYSUODDGYVDEEN-WCBMZHEXSA-N 2 2 261.316 0.712 20 0 CCADLP [NH3+][C@H](CC(F)F)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000903918164 634696289 /nfs/dbraw/zinc/69/62/89/634696289.db2.gz UDBBEVWEVDMTRD-WZRBSPASSA-N 3 2 277.359 0.797 20 0 CCADLP c1cc(N2CC[NH2+]CC2)oc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000904350566 634733594 /nfs/dbraw/zinc/73/35/94/634733594.db2.gz MPTYOOQZRZDBLP-MRXNPFEDSA-N 3 2 290.411 0.875 20 0 CCADLP c1cc(N2CC[NH2+]CC2)oc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000904350566 634733600 /nfs/dbraw/zinc/73/36/00/634733600.db2.gz MPTYOOQZRZDBLP-MRXNPFEDSA-N 3 2 290.411 0.875 20 0 CCADLP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)C1(O)CCC1 ZINC000905045604 634784436 /nfs/dbraw/zinc/78/44/36/634784436.db2.gz KQXGXTKWESPHCY-RWMBFGLXSA-N 2 2 254.374 0.479 20 0 CCADLP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)C1(O)CCC1 ZINC000905045604 634784439 /nfs/dbraw/zinc/78/44/39/634784439.db2.gz KQXGXTKWESPHCY-RWMBFGLXSA-N 2 2 254.374 0.479 20 0 CCADLP O[C@H](C[NH2+]CCCNc1cccc[nH+]1)C[C@@]1(O)CCOC1 ZINC000905129128 634804814 /nfs/dbraw/zinc/80/48/14/634804814.db2.gz WDMKAQHNYIZLQF-ZFWWWQNUSA-N 2 2 295.383 0.376 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1CCn2cc[nH+]c2C1)C1(O)CCCC1 ZINC000905219891 634824402 /nfs/dbraw/zinc/82/44/02/634824402.db2.gz TZQGCOWTIWQBQC-NEPJUHHUSA-N 2 2 265.357 0.454 20 0 CCADLP C[C@H](O)C[N@H+](C)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027628968 630814297 /nfs/dbraw/zinc/81/42/97/630814297.db2.gz PBCSBYVEDUARRL-RYUDHWBXSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@H](O)C[N@@H+](C)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027628968 630814302 /nfs/dbraw/zinc/81/43/02/630814302.db2.gz PBCSBYVEDUARRL-RYUDHWBXSA-N 2 2 280.372 0.256 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[C@H]([NH2+]CCF)C1 ZINC000981456534 631280676 /nfs/dbraw/zinc/28/06/76/631280676.db2.gz JVCVAZOECIZHMM-RYUDHWBXSA-N 2 2 282.363 0.949 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925851369 631399615 /nfs/dbraw/zinc/39/96/15/631399615.db2.gz YETRAWSTZDBIIX-RWMBFGLXSA-N 3 2 281.400 0.402 20 0 CCADLP Cc1[nH+]ccn1CC[NH2+]Cc1nc(Br)nn1C ZINC000894210311 631601578 /nfs/dbraw/zinc/60/15/78/631601578.db2.gz DRTYLBVHNDIVDE-UHFFFAOYSA-N 2 2 299.176 0.872 20 0 CCADLP C[C@H]1CC[N@H+](CCCO)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000968544518 650019318 /nfs/dbraw/zinc/01/93/18/650019318.db2.gz PCXHHCZIQPXVQI-GXTWGEPZSA-N 2 2 294.399 0.172 20 0 CCADLP C[C@H]1CC[N@@H+](CCCO)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000968544518 650019320 /nfs/dbraw/zinc/01/93/20/650019320.db2.gz PCXHHCZIQPXVQI-GXTWGEPZSA-N 2 2 294.399 0.172 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@@H]([NH2+]C[C@H]2CCOC2)C1 ZINC000968872093 650032416 /nfs/dbraw/zinc/03/24/16/650032416.db2.gz NKIUNPXUCGDXJM-TZMCWYRMSA-N 2 2 292.383 0.569 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]C[C@H]2CCOC2)C1 ZINC000968872093 650032418 /nfs/dbraw/zinc/03/24/18/650032418.db2.gz NKIUNPXUCGDXJM-TZMCWYRMSA-N 2 2 292.383 0.569 20 0 CCADLP C[C@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@@H+]1C ZINC000928440724 631846230 /nfs/dbraw/zinc/84/62/30/631846230.db2.gz CFMJTYMIQXEQQD-RYUDHWBXSA-N 2 2 250.346 0.872 20 0 CCADLP C[C@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@H+]1C ZINC000928440724 631846236 /nfs/dbraw/zinc/84/62/36/631846236.db2.gz CFMJTYMIQXEQQD-RYUDHWBXSA-N 2 2 250.346 0.872 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889755879 631902292 /nfs/dbraw/zinc/90/22/92/631902292.db2.gz JLOCJEOTNYNLNF-ZIAGYGMSSA-N 2 2 292.383 0.020 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889755879 631902297 /nfs/dbraw/zinc/90/22/97/631902297.db2.gz JLOCJEOTNYNLNF-ZIAGYGMSSA-N 2 2 292.383 0.020 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CC[N@@H+]1C)[NH+]1CCSCC1 ZINC000928559829 631994160 /nfs/dbraw/zinc/99/41/60/631994160.db2.gz ORUGYWCHPDAIDG-GHMZBOCLSA-N 2 2 257.403 0.244 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CC[N@H+]1C)[NH+]1CCSCC1 ZINC000928559829 631994177 /nfs/dbraw/zinc/99/41/77/631994177.db2.gz ORUGYWCHPDAIDG-GHMZBOCLSA-N 2 2 257.403 0.244 20 0 CCADLP C[C@H](O)CNc1cc(N[C@H]2CC[N@H+](C)[C@H]2C)nc[nH+]1 ZINC000895740963 632141964 /nfs/dbraw/zinc/14/19/64/632141964.db2.gz VHHNGVCBVKLNNX-DCAQKATOSA-N 2 2 265.361 0.774 20 0 CCADLP C[C@H](O)CNc1cc(N[C@H]2CC[N@@H+](C)[C@H]2C)nc[nH+]1 ZINC000895740963 632141971 /nfs/dbraw/zinc/14/19/71/632141971.db2.gz VHHNGVCBVKLNNX-DCAQKATOSA-N 2 2 265.361 0.774 20 0 CCADLP C[C@@H]1[C@@H](Nc2cc[nH+]c(N3CCOCC3)n2)CC[N@@H+]1C ZINC000895736935 632143669 /nfs/dbraw/zinc/14/36/69/632143669.db2.gz QILWEJNLAGGOGY-NEPJUHHUSA-N 2 2 277.372 0.818 20 0 CCADLP C[C@@H]1[C@@H](Nc2cc[nH+]c(N3CCOCC3)n2)CC[N@H+]1C ZINC000895736935 632143680 /nfs/dbraw/zinc/14/36/80/632143680.db2.gz QILWEJNLAGGOGY-NEPJUHHUSA-N 2 2 277.372 0.818 20 0 CCADLP Cc1[nH]c(CNC(=O)C2CC[NH+](C)CC2)[nH+]c1C ZINC000896924315 632364056 /nfs/dbraw/zinc/36/40/56/632364056.db2.gz WJPUNKVQBKLJEP-UHFFFAOYSA-N 2 2 250.346 0.985 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@@H]1C ZINC000986627367 632784019 /nfs/dbraw/zinc/78/40/19/632784019.db2.gz GNKGXBBRIOXHAT-NEPJUHHUSA-N 2 2 250.346 0.872 20 0 CCADLP C[C@@H]1CC[N@H+](CCNC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000897469641 633008727 /nfs/dbraw/zinc/00/87/27/633008727.db2.gz NWYIYXYATCREGI-NEPJUHHUSA-N 2 2 277.372 0.449 20 0 CCADLP C[C@@H]1CC[N@@H+](CCNC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000897469641 633008731 /nfs/dbraw/zinc/00/87/31/633008731.db2.gz NWYIYXYATCREGI-NEPJUHHUSA-N 2 2 277.372 0.449 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000237436602 633100530 /nfs/dbraw/zinc/10/05/30/633100530.db2.gz CFDPRMHJQOTCKG-JHJVBQTASA-N 2 2 269.389 0.341 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@H](CO)C[NH+]2CCCC2)c[nH+]1 ZINC000897766597 633237350 /nfs/dbraw/zinc/23/73/50/633237350.db2.gz QEWIXQBWNZBUQO-ZDUSSCGKSA-N 2 2 294.399 0.500 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CC[NH+]2C(C)(C)C)C[C@H](C)[N@H+]1CCO ZINC000897904618 633254856 /nfs/dbraw/zinc/25/48/56/633254856.db2.gz FNDGJPDNIJGWCR-HZSPNIEDSA-N 2 2 297.443 0.773 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CC[NH+]2C(C)(C)C)C[C@H](C)[N@@H+]1CCO ZINC000897904618 633254860 /nfs/dbraw/zinc/25/48/60/633254860.db2.gz FNDGJPDNIJGWCR-HZSPNIEDSA-N 2 2 297.443 0.773 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)C[C@H](C)[NH+]1CCO ZINC000897904618 633254862 /nfs/dbraw/zinc/25/48/62/633254862.db2.gz FNDGJPDNIJGWCR-HZSPNIEDSA-N 2 2 297.443 0.773 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+]2C(C)(C)C)C[C@H](C)[NH+]1CCO ZINC000897904618 633254866 /nfs/dbraw/zinc/25/48/66/633254866.db2.gz FNDGJPDNIJGWCR-HZSPNIEDSA-N 2 2 297.443 0.773 20 0 CCADLP CC(C)[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000989493079 633319439 /nfs/dbraw/zinc/31/94/39/633319439.db2.gz QWHRVGAVTLXBHB-ZYHUDNBSSA-N 2 2 250.346 0.940 20 0 CCADLP CO[C@H](C)C[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000989783820 633353029 /nfs/dbraw/zinc/35/30/29/633353029.db2.gz GKHCPZDHBQGWIQ-CYBMUJFWSA-N 2 2 280.372 0.452 20 0 CCADLP CC(C)[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@H]12 ZINC000990111153 633448015 /nfs/dbraw/zinc/44/80/15/633448015.db2.gz ZJWYDONCTVTWPL-OFQRWUPVSA-N 2 2 295.427 0.839 20 0 CCADLP CC(C)[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@H]12 ZINC000990111153 633448016 /nfs/dbraw/zinc/44/80/16/633448016.db2.gz ZJWYDONCTVTWPL-OFQRWUPVSA-N 2 2 295.427 0.839 20 0 CCADLP CC(C)[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@H+](C)CCO3)CCC[C@H]12 ZINC000990111153 633448018 /nfs/dbraw/zinc/44/80/18/633448018.db2.gz ZJWYDONCTVTWPL-OFQRWUPVSA-N 2 2 295.427 0.839 20 0 CCADLP CC(C)[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC[C@H]12 ZINC000990111153 633448019 /nfs/dbraw/zinc/44/80/19/633448019.db2.gz ZJWYDONCTVTWPL-OFQRWUPVSA-N 2 2 295.427 0.839 20 0 CCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC([NH+]2CCCC2)C1 ZINC000898605707 633632272 /nfs/dbraw/zinc/63/22/72/633632272.db2.gz YLRUVWBLKZMWEB-GFCCVEGCSA-N 2 2 274.368 0.752 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](CCF)C2)C1 ZINC001009512844 650146412 /nfs/dbraw/zinc/14/64/12/650146412.db2.gz DFTLHBWOKASGPE-RYUDHWBXSA-N 2 2 257.353 0.488 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](CCF)C2)C1 ZINC001009512844 650146415 /nfs/dbraw/zinc/14/64/15/650146415.db2.gz DFTLHBWOKASGPE-RYUDHWBXSA-N 2 2 257.353 0.488 20 0 CCADLP C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[N@H+](CCF)C2)C1 ZINC001009512844 650146417 /nfs/dbraw/zinc/14/64/17/650146417.db2.gz DFTLHBWOKASGPE-RYUDHWBXSA-N 2 2 257.353 0.488 20 0 CCADLP C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[N@@H+](CCF)C2)C1 ZINC001009512844 650146421 /nfs/dbraw/zinc/14/64/21/650146421.db2.gz DFTLHBWOKASGPE-RYUDHWBXSA-N 2 2 257.353 0.488 20 0 CCADLP O[C@H](C[NH2+]Cc1ccc2nonc2c1)C[NH+]1CCCC1 ZINC000905671569 634894628 /nfs/dbraw/zinc/89/46/28/634894628.db2.gz PQYIPGXPLCCVKD-GFCCVEGCSA-N 2 2 276.340 0.769 20 0 CCADLP O=C(CNc1cccc[nH+]1)NCC[N@H+]1CC=CCC1 ZINC000907888250 635234168 /nfs/dbraw/zinc/23/41/68/635234168.db2.gz UDZIXJKPNARWQA-UHFFFAOYSA-N 2 2 260.341 0.872 20 0 CCADLP O=C(CNc1cccc[nH+]1)NCC[N@@H+]1CC=CCC1 ZINC000907888250 635234174 /nfs/dbraw/zinc/23/41/74/635234174.db2.gz UDZIXJKPNARWQA-UHFFFAOYSA-N 2 2 260.341 0.872 20 0 CCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912907056 636695194 /nfs/dbraw/zinc/69/51/94/636695194.db2.gz KZTHGVJZRRIJTO-TZMCWYRMSA-N 2 2 274.368 0.752 20 0 CCADLP COC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000167843518 636979912 /nfs/dbraw/zinc/97/99/12/636979912.db2.gz JKJRDLGIWFAXIL-LBPRGKRZSA-N 2 2 283.397 0.366 20 0 CCADLP C[C@H]1CN(C(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)CCO1 ZINC000171934114 637151234 /nfs/dbraw/zinc/15/12/34/637151234.db2.gz KHADYBSDNOUUDS-ZDUSSCGKSA-N 2 2 292.383 0.767 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[NH+](CCCCCO)CC1 ZINC000913695850 637411224 /nfs/dbraw/zinc/41/12/24/637411224.db2.gz TYDLUKSNXQYHPS-UHFFFAOYSA-N 2 2 294.399 0.498 20 0 CCADLP C[N@@H+]1CC[C@H]1CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000925414681 637686511 /nfs/dbraw/zinc/68/65/11/637686511.db2.gz AGWYOEJXFFPRJT-GXTWGEPZSA-N 2 2 290.367 0.948 20 0 CCADLP C[N@H+]1CC[C@H]1CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000925414681 637686514 /nfs/dbraw/zinc/68/65/14/637686514.db2.gz AGWYOEJXFFPRJT-GXTWGEPZSA-N 2 2 290.367 0.948 20 0 CCADLP C[C@H]1[C@H](NC(=O)NCC[NH+]2CCOCC2(C)C)CC[N@@H+]1C ZINC000916618968 637910092 /nfs/dbraw/zinc/91/00/92/637910092.db2.gz FFDLNORQFOCOGM-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H]1[C@H](NC(=O)NCC[NH+]2CCOCC2(C)C)CC[N@H+]1C ZINC000916618968 637910095 /nfs/dbraw/zinc/91/00/95/637910095.db2.gz FFDLNORQFOCOGM-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H]1[C@H](NC(=O)NCC[N@@H+]2CCOCC2(C)C)CC[NH+]1C ZINC000916618968 637910100 /nfs/dbraw/zinc/91/01/00/637910100.db2.gz FFDLNORQFOCOGM-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H]1[C@H](NC(=O)NCC[N@H+]2CCOCC2(C)C)CC[NH+]1C ZINC000916618968 637910104 /nfs/dbraw/zinc/91/01/04/637910104.db2.gz FFDLNORQFOCOGM-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP C[N@@H+]1CC[C@H]1CNC(=O)NCC[NH+]1CCOCC1(C)C ZINC000916619328 637910956 /nfs/dbraw/zinc/91/09/56/637910956.db2.gz LYNMZVVEGYCELK-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP C[N@H+]1CC[C@H]1CNC(=O)NCC[NH+]1CCOCC1(C)C ZINC000916619328 637910960 /nfs/dbraw/zinc/91/09/60/637910960.db2.gz LYNMZVVEGYCELK-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP C[NH+]1CC[C@H]1CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000916619328 637910962 /nfs/dbraw/zinc/91/09/62/637910962.db2.gz LYNMZVVEGYCELK-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP C[NH+]1CC[C@H]1CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000916619328 637910966 /nfs/dbraw/zinc/91/09/66/637910966.db2.gz LYNMZVVEGYCELK-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@H+](CCO)[C@@H]1C ZINC000994299172 637918489 /nfs/dbraw/zinc/91/84/89/637918489.db2.gz UHAUDDDBOUICMU-VXGBXAGGSA-N 2 2 280.372 0.222 20 0 CCADLP CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000994502837 637953245 /nfs/dbraw/zinc/95/32/45/637953245.db2.gz DAJUCMUMWVGJFI-NWDGAFQWSA-N 2 2 250.346 0.872 20 0 CCADLP CC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000994502837 637953252 /nfs/dbraw/zinc/95/32/52/637953252.db2.gz DAJUCMUMWVGJFI-NWDGAFQWSA-N 2 2 250.346 0.872 20 0 CCADLP CC(C)(C(=O)N1C[C@H]([NH2+]CCO)C(C)(C)C1)c1c[nH+]c[nH]1 ZINC000996515541 638821268 /nfs/dbraw/zinc/82/12/68/638821268.db2.gz SANRQVRPFSFDSK-LBPRGKRZSA-N 2 2 294.399 0.506 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N2CCC([NH2+]CCO)CC2)c[nH+]1 ZINC000996722987 638830025 /nfs/dbraw/zinc/83/00/25/638830025.db2.gz SEZJAVOOEIBVCO-UHFFFAOYSA-N 2 2 294.399 0.500 20 0 CCADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC([NH2+]CCF)CC1 ZINC000996732259 638830421 /nfs/dbraw/zinc/83/04/21/638830421.db2.gz OUDUXKHVIKYQDK-LBPRGKRZSA-N 2 2 294.374 0.996 20 0 CCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC([NH2+]CCF)CC1 ZINC000996738200 638830432 /nfs/dbraw/zinc/83/04/32/638830432.db2.gz MDKQHERQUOOCKV-LBPRGKRZSA-N 2 2 294.374 0.996 20 0 CCADLP C[C@H](O)C[NH2+]C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000996836508 638834253 /nfs/dbraw/zinc/83/42/53/638834253.db2.gz XNCFXCKBICFFQB-LBPRGKRZSA-N 2 2 294.399 0.314 20 0 CCADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1CC([NH2+]CCO)C1 ZINC000998987882 638953399 /nfs/dbraw/zinc/95/33/99/638953399.db2.gz FWUVNDZNVVELPN-UHFFFAOYSA-N 2 2 288.351 0.748 20 0 CCADLP CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC([NH2+]CCF)C1 ZINC000999011843 638954123 /nfs/dbraw/zinc/95/41/23/638954123.db2.gz QCJIDEGPDKRGSV-PNESKVBLSA-N 2 2 294.374 0.994 20 0 CCADLP CC[NH2+][C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000999043838 638957267 /nfs/dbraw/zinc/95/72/67/638957267.db2.gz KKIHTKBOJIUQKR-LLVKDONJSA-N 2 2 250.346 0.943 20 0 CCADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CC([NH2+]CCF)C1 ZINC000999470941 638983074 /nfs/dbraw/zinc/98/30/74/638983074.db2.gz YKQKKKZINLNJPI-UHFFFAOYSA-N 2 2 254.309 0.501 20 0 CCADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000999541332 638984759 /nfs/dbraw/zinc/98/47/59/638984759.db2.gz GUAVGSKRKHDXPF-CHWSQXEVSA-N 2 2 292.383 0.018 20 0 CCADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]([NH2+]CCF)C1 ZINC000999537861 638984920 /nfs/dbraw/zinc/98/49/20/638984920.db2.gz UZNRUJKRPAAINS-CHWSQXEVSA-N 2 2 294.374 0.996 20 0 CCADLP CC[NH2+][C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000999773689 638995813 /nfs/dbraw/zinc/99/58/13/638995813.db2.gz CHRHQNUBZPDAGC-LBPRGKRZSA-N 2 2 264.373 0.953 20 0 CCADLP CC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001000692480 639152926 /nfs/dbraw/zinc/15/29/26/639152926.db2.gz CYVFPLLDQNVHFY-LLVKDONJSA-N 2 2 250.346 0.563 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccon2)CC1 ZINC001002477140 639418970 /nfs/dbraw/zinc/41/89/70/639418970.db2.gz WDBNJWLOOTWYNY-AWEZNQCLSA-N 2 2 292.383 0.849 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccon2)CC1 ZINC001002477140 639418973 /nfs/dbraw/zinc/41/89/73/639418973.db2.gz WDBNJWLOOTWYNY-AWEZNQCLSA-N 2 2 292.383 0.849 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccnn2C2CCC2)C1 ZINC000922000160 639459233 /nfs/dbraw/zinc/45/92/33/639459233.db2.gz ZEZDZSPMXHXHMG-AWEZNQCLSA-N 2 2 264.373 0.764 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccnn2C2CCC2)C1 ZINC000922000160 639459235 /nfs/dbraw/zinc/45/92/35/639459235.db2.gz ZEZDZSPMXHXHMG-AWEZNQCLSA-N 2 2 264.373 0.764 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@@H+](C[C@H](C)O)C2)c[nH+]1 ZINC001014900167 650501315 /nfs/dbraw/zinc/50/13/15/650501315.db2.gz CCQNPLXXBAVPCT-STQMWFEESA-N 2 2 294.399 0.498 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@H+](C[C@H](C)O)C2)c[nH+]1 ZINC001014900167 650501318 /nfs/dbraw/zinc/50/13/18/650501318.db2.gz CCQNPLXXBAVPCT-STQMWFEESA-N 2 2 294.399 0.498 20 0 CCADLP O=C(N[C@H]1CC[N@@H+](CCCF)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001014992191 650512413 /nfs/dbraw/zinc/51/24/13/650512413.db2.gz WHMIFDRBQFFYSR-OLZOCXBDSA-N 2 2 294.374 0.996 20 0 CCADLP O=C(N[C@H]1CC[N@H+](CCCF)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001014992191 650512414 /nfs/dbraw/zinc/51/24/14/650512414.db2.gz WHMIFDRBQFFYSR-OLZOCXBDSA-N 2 2 294.374 0.996 20 0 CCADLP O=C(N[C@H]1CC[N@@H+](CCCF)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001014992198 650512574 /nfs/dbraw/zinc/51/25/74/650512574.db2.gz WHMIFDRBQFFYSR-STQMWFEESA-N 2 2 294.374 0.996 20 0 CCADLP O=C(N[C@H]1CC[N@H+](CCCF)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001014992198 650512577 /nfs/dbraw/zinc/51/25/77/650512577.db2.gz WHMIFDRBQFFYSR-STQMWFEESA-N 2 2 294.374 0.996 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N[C@H]2CC[N@H+](CCCF)C2)no1 ZINC001015029959 650516932 /nfs/dbraw/zinc/51/69/32/650516932.db2.gz ZAKYKTNPTCBYKJ-NSHDSACASA-N 2 2 298.362 0.900 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N[C@H]2CC[N@@H+](CCCF)C2)no1 ZINC001015029959 650516934 /nfs/dbraw/zinc/51/69/34/650516934.db2.gz ZAKYKTNPTCBYKJ-NSHDSACASA-N 2 2 298.362 0.900 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923280339 640067832 /nfs/dbraw/zinc/06/78/32/640067832.db2.gz XGVLTKFVCIWHTG-YNEHKIRRSA-N 3 2 253.390 0.567 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923280339 640067839 /nfs/dbraw/zinc/06/78/39/640067839.db2.gz XGVLTKFVCIWHTG-YNEHKIRRSA-N 3 2 253.390 0.567 20 0 CCADLP c1c[nH+]c([C@H]2CCC[N@@H+](C[C@H]3CC4(C[NH2+]C4)CO3)C2)[nH]1 ZINC000923322986 640084760 /nfs/dbraw/zinc/08/47/60/640084760.db2.gz ULBRDFHTVUTJOS-QWHCGFSZSA-N 3 2 276.384 0.968 20 0 CCADLP c1c[nH+]c([C@H]2CCC[N@H+](C[C@H]3CC4(C[NH2+]C4)CO3)C2)[nH]1 ZINC000923322986 640084767 /nfs/dbraw/zinc/08/47/67/640084767.db2.gz ULBRDFHTVUTJOS-QWHCGFSZSA-N 3 2 276.384 0.968 20 0 CCADLP O[C@H](C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)C(F)(F)F ZINC000923366757 640104604 /nfs/dbraw/zinc/10/46/04/640104604.db2.gz QEFJOOJQNCKTAF-ZJUUUORDSA-N 2 2 252.280 0.985 20 0 CCADLP O[C@H](C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)C(F)(F)F ZINC000923366757 640104612 /nfs/dbraw/zinc/10/46/12/640104612.db2.gz QEFJOOJQNCKTAF-ZJUUUORDSA-N 2 2 252.280 0.985 20 0 CCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)C1 ZINC000923370228 640106423 /nfs/dbraw/zinc/10/64/23/640106423.db2.gz SOBDCOICYAZRQD-CYDGBPFRSA-N 2 2 291.399 0.712 20 0 CCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)C1 ZINC000923370228 640106427 /nfs/dbraw/zinc/10/64/27/640106427.db2.gz SOBDCOICYAZRQD-CYDGBPFRSA-N 2 2 291.399 0.712 20 0 CCADLP [NH3+]CC12CCC(CC1)C[N@@H+]2CCO[C@@H]1CCOC1 ZINC000923393398 640117703 /nfs/dbraw/zinc/11/77/03/640117703.db2.gz POYVRCOEAXISNN-ROKHWSDSSA-N 2 2 254.374 0.995 20 0 CCADLP [NH3+]CC12CCC(CC1)C[N@H+]2CCO[C@@H]1CCOC1 ZINC000923393398 640117708 /nfs/dbraw/zinc/11/77/08/640117708.db2.gz POYVRCOEAXISNN-ROKHWSDSSA-N 2 2 254.374 0.995 20 0 CCADLP Cc1nc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)no1 ZINC000923453042 640146451 /nfs/dbraw/zinc/14/64/51/640146451.db2.gz YNLDXHCGGNSVOJ-LLVKDONJSA-N 2 2 266.345 0.708 20 0 CCADLP [NH3+][C@@]1(CO)CCC[N@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000923471313 640151812 /nfs/dbraw/zinc/15/18/12/640151812.db2.gz CXTLFTASIALUOR-OLZOCXBDSA-N 2 2 254.374 0.874 20 0 CCADLP [NH3+][C@@]1(CO)CCC[N@@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000923471313 640151816 /nfs/dbraw/zinc/15/18/16/640151816.db2.gz CXTLFTASIALUOR-OLZOCXBDSA-N 2 2 254.374 0.874 20 0 CCADLP [NH3+][C@]1(CO)CCC[N@H+](CCC(=O)Nc2ccccc2)C1 ZINC000923477988 640157600 /nfs/dbraw/zinc/15/76/00/640157600.db2.gz YUGCAZHHDRBECR-OAHLLOKOSA-N 2 2 277.368 0.801 20 0 CCADLP [NH3+][C@]1(CO)CCC[N@@H+](CCC(=O)Nc2ccccc2)C1 ZINC000923477988 640157605 /nfs/dbraw/zinc/15/76/05/640157605.db2.gz YUGCAZHHDRBECR-OAHLLOKOSA-N 2 2 277.368 0.801 20 0 CCADLP O=c1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)nc2sccn21 ZINC000923520909 640174993 /nfs/dbraw/zinc/17/49/93/640174993.db2.gz JXLSDTYPNFKFLZ-WDEREUQCSA-N 2 2 290.392 0.797 20 0 CCADLP O=c1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)nc2sccn21 ZINC000923520909 640174997 /nfs/dbraw/zinc/17/49/97/640174997.db2.gz JXLSDTYPNFKFLZ-WDEREUQCSA-N 2 2 290.392 0.797 20 0 CCADLP O=C(N[C@H]1CC[N@@H+](CCCO)C1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001015692266 650610839 /nfs/dbraw/zinc/61/08/39/650610839.db2.gz ZNNWIFZZNLEAMN-NWDGAFQWSA-N 2 2 292.383 0.403 20 0 CCADLP O=C(N[C@H]1CC[N@H+](CCCO)C1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001015692266 650610840 /nfs/dbraw/zinc/61/08/40/650610840.db2.gz ZNNWIFZZNLEAMN-NWDGAFQWSA-N 2 2 292.383 0.403 20 0 CCADLP C[C@H](NC[C@H](O)C[NH+](C)C)c1cn2c([nH+]1)CCCC2 ZINC000820809957 641536665 /nfs/dbraw/zinc/53/66/65/641536665.db2.gz LSCUIGVEMFNYMT-RYUDHWBXSA-N 2 2 266.389 0.793 20 0 CCADLP CCCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001016002774 650670695 /nfs/dbraw/zinc/67/06/95/650670695.db2.gz YFWUTRRGRZYQSV-LBPRGKRZSA-N 2 2 264.373 0.953 20 0 CCADLP CCCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001016002774 650670697 /nfs/dbraw/zinc/67/06/97/650670697.db2.gz YFWUTRRGRZYQSV-LBPRGKRZSA-N 2 2 264.373 0.953 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001016112760 650683843 /nfs/dbraw/zinc/68/38/43/650683843.db2.gz FRJWBHCYKRLKIY-QWHCGFSZSA-N 2 2 292.383 0.488 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001016112760 650683846 /nfs/dbraw/zinc/68/38/46/650683846.db2.gz FRJWBHCYKRLKIY-QWHCGFSZSA-N 2 2 292.383 0.488 20 0 CCADLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cccc(-c2nn[nH]n2)c1 ZINC000824570157 641832638 /nfs/dbraw/zinc/83/26/38/641832638.db2.gz LNTLGBQSLYLWMT-MFKMUULPSA-N 2 2 290.371 0.440 20 0 CCADLP Cn1nccc1C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016252480 650705792 /nfs/dbraw/zinc/70/57/92/650705792.db2.gz RNORFPLBRAFLFU-CYBMUJFWSA-N 2 2 291.399 0.206 20 0 CCADLP Cn1nccc1C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016252480 650705794 /nfs/dbraw/zinc/70/57/94/650705794.db2.gz RNORFPLBRAFLFU-CYBMUJFWSA-N 2 2 291.399 0.206 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+](CCCF)C1 ZINC001016397742 650725021 /nfs/dbraw/zinc/72/50/21/650725021.db2.gz MICXMLIUGVFGOR-NSHDSACASA-N 2 2 254.309 0.433 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+](CCCF)C1 ZINC001016397742 650725022 /nfs/dbraw/zinc/72/50/22/650725022.db2.gz MICXMLIUGVFGOR-NSHDSACASA-N 2 2 254.309 0.433 20 0 CCADLP C[C@H](CNC(=O)CCCCC[NH3+])[NH+]1CCN(C)CC1 ZINC000829918172 642209995 /nfs/dbraw/zinc/20/99/95/642209995.db2.gz JZPSCYZXPDMLCJ-CYBMUJFWSA-N 2 2 270.421 0.258 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@]2(F)CC[NH2+]C2)C[C@H](C)O1 ZINC000831938878 642412312 /nfs/dbraw/zinc/41/23/12/642412312.db2.gz CZOQBJAUGMLWKD-SCRDCRAPSA-N 2 2 287.379 0.256 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@]2(F)CC[NH2+]C2)C[C@H](C)O1 ZINC000831938878 642412328 /nfs/dbraw/zinc/41/23/28/642412328.db2.gz CZOQBJAUGMLWKD-SCRDCRAPSA-N 2 2 287.379 0.256 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC12CC[NH+](CCF)CC2 ZINC001016927146 650771868 /nfs/dbraw/zinc/77/18/68/650771868.db2.gz SVXMAIKMWXUPOX-CYBMUJFWSA-N 2 2 294.374 0.903 20 0 CCADLP Cc1cc(F)ccc1[C@@H](O)C[NH2+]C[C@H](O)C[NH+](C)C ZINC000843060828 642983085 /nfs/dbraw/zinc/98/30/85/642983085.db2.gz CNUBILRBCMZZTM-JSGCOSHPSA-N 2 2 270.348 0.680 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCCCCC[NH3+] ZINC000843259655 643019637 /nfs/dbraw/zinc/01/96/37/643019637.db2.gz QCFXDYJPTPMYBT-LBPRGKRZSA-N 2 2 295.387 0.023 20 0 CCADLP [NH3+]Cc1ccc(C(=O)N2CC[NH2+]C[C@@H]2C(F)F)o1 ZINC000843480811 643073377 /nfs/dbraw/zinc/07/33/77/643073377.db2.gz MQGSRAFIYPMCLY-MRVPVSSYSA-N 2 2 259.256 0.417 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)CCCCC[NH3+])CCO1 ZINC000844178719 643164265 /nfs/dbraw/zinc/16/42/65/643164265.db2.gz JBGIVMYEPQPFDM-GFCCVEGCSA-N 2 2 257.378 0.342 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)CCCCC[NH3+])CCO1 ZINC000844178719 643164274 /nfs/dbraw/zinc/16/42/74/643164274.db2.gz JBGIVMYEPQPFDM-GFCCVEGCSA-N 2 2 257.378 0.342 20 0 CCADLP OC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC000848533423 643650094 /nfs/dbraw/zinc/65/00/94/643650094.db2.gz HSZBOGPMMFMCKT-UONOGXRCSA-N 2 2 254.374 0.600 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)[C@H]1CCC[NH2+]1 ZINC000848723004 643671331 /nfs/dbraw/zinc/67/13/31/643671331.db2.gz ZWJOCEAFYZERCN-MVWJERBFSA-N 2 2 253.346 0.700 20 0 CCADLP O=C1O[C@H](C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CN1C1CC1 ZINC000848721396 643671539 /nfs/dbraw/zinc/67/15/39/643671539.db2.gz KJYRTFIOEPLNEX-MCIONIFRSA-N 2 2 295.383 0.326 20 0 CCADLP [NH2+]=C(NCC1([NH+]2CCOCC2)CCOCC1)NC1CCC1 ZINC000849040454 643706369 /nfs/dbraw/zinc/70/63/69/643706369.db2.gz VTICPHHLXBPWQN-UHFFFAOYSA-N 2 2 296.415 0.534 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC2(COC(=O)N2)CC1 ZINC000851924330 643898917 /nfs/dbraw/zinc/89/89/17/643898917.db2.gz YSZGBFVIRDBOQH-GFCCVEGCSA-N 2 2 285.388 0.262 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC2(COC(=O)N2)CC1 ZINC000851924330 643898919 /nfs/dbraw/zinc/89/89/19/643898919.db2.gz YSZGBFVIRDBOQH-GFCCVEGCSA-N 2 2 285.388 0.262 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(N2CCOC2=O)CC1 ZINC000852720294 643990920 /nfs/dbraw/zinc/99/09/20/643990920.db2.gz CELRNJQOPJXVHT-CQSZACIVSA-N 2 2 299.415 0.604 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(N2CCOC2=O)CC1 ZINC000852720294 643990925 /nfs/dbraw/zinc/99/09/25/643990925.db2.gz CELRNJQOPJXVHT-CQSZACIVSA-N 2 2 299.415 0.604 20 0 CCADLP c1n[nH]cc1C1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000852746250 643993665 /nfs/dbraw/zinc/99/36/65/643993665.db2.gz KJENKPLGTBUWRG-ZDUSSCGKSA-N 2 2 250.346 0.578 20 0 CCADLP Cc1nonc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001018629051 650886160 /nfs/dbraw/zinc/88/61/60/650886160.db2.gz YHVRNYWQWJLCDO-AAEUAGOBSA-N 2 2 293.371 0.163 20 0 CCADLP Cc1nonc1C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001018629051 650886165 /nfs/dbraw/zinc/88/61/65/650886165.db2.gz YHVRNYWQWJLCDO-AAEUAGOBSA-N 2 2 293.371 0.163 20 0 CCADLP C[C@H](CCNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)[NH+](C)C ZINC000853605576 644128824 /nfs/dbraw/zinc/12/88/24/644128824.db2.gz MUWRWPXTHGUWCH-OLZOCXBDSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@H](CCNC(=O)NCC[N@H+]1CCO[C@@H](C)C1)[NH+](C)C ZINC000853605576 644128827 /nfs/dbraw/zinc/12/88/27/644128827.db2.gz MUWRWPXTHGUWCH-OLZOCXBDSA-N 2 2 286.420 0.347 20 0 CCADLP NC(=O)c1cccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000112839263 644276299 /nfs/dbraw/zinc/27/62/99/644276299.db2.gz HXNOHGGLGIWNOP-CABCVRRESA-N 2 2 289.379 0.738 20 0 CCADLP NC(=O)c1cccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000112839263 644276304 /nfs/dbraw/zinc/27/63/04/644276304.db2.gz HXNOHGGLGIWNOP-CABCVRRESA-N 2 2 289.379 0.738 20 0 CCADLP CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2csnn2)C1)[NH+](C)C ZINC001019033678 650932515 /nfs/dbraw/zinc/93/25/15/650932515.db2.gz ZJFDPALYVLZLNL-CMPLNLGQSA-N 2 2 297.428 0.569 20 0 CCADLP CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2nnc(C)o2)C1)[NH+](C)C ZINC001019033558 650932612 /nfs/dbraw/zinc/93/26/12/650932612.db2.gz SNFJDFJTEMQFAA-NWDGAFQWSA-N 2 2 295.387 0.409 20 0 CCADLP C[C@@H]([NH3+])CN(C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000861615612 644898202 /nfs/dbraw/zinc/89/82/02/644898202.db2.gz RWCJQEZFJYPDML-NEPJUHHUSA-N 2 2 277.372 0.649 20 0 CCADLP CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cnon2)C1)[NH+](C)C ZINC001019394997 650968663 /nfs/dbraw/zinc/96/86/63/650968663.db2.gz VITBMICQJPOMCX-JQWIXIFHSA-N 2 2 281.360 0.100 20 0 CCADLP C[C@@H](CC(=O)N1CC[C@H]([NH2+]CCO)C1)n1cc[nH+]c1 ZINC001019446543 650974169 /nfs/dbraw/zinc/97/41/69/650974169.db2.gz UIOVFJDUFISJJH-RYUDHWBXSA-N 2 2 266.345 0.017 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC001019564239 650988657 /nfs/dbraw/zinc/98/86/57/650988657.db2.gz FYFQCKNEXKNIOD-OLZOCXBDSA-N 2 2 292.383 0.569 20 0 CCADLP CC(C)(C(=O)N1CC[C@H]([NH2+]CCF)C1)c1c[nH+]c[nH]1 ZINC001019656596 650996465 /nfs/dbraw/zinc/99/64/65/650996465.db2.gz OLDLDJHRYRWDHX-JTQLQIEISA-N 2 2 268.336 0.847 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000865343991 645355610 /nfs/dbraw/zinc/35/56/10/645355610.db2.gz WTAKQKYMMRUPAU-GARJFASQSA-N 2 2 251.334 0.308 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001019867795 651010911 /nfs/dbraw/zinc/01/09/11/651010911.db2.gz KPYXQKLVZQFRPL-STQMWFEESA-N 2 2 278.356 0.110 20 0 CCADLP O=C([C@H](O)c1c[nH+]c[nH]1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000866102235 645481830 /nfs/dbraw/zinc/48/18/30/645481830.db2.gz BWEIWACZXAEXFV-GXTWGEPZSA-N 2 2 292.383 0.778 20 0 CCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@@H](C)[NH3+])C2)cc1 ZINC000867997478 645700431 /nfs/dbraw/zinc/70/04/31/645700431.db2.gz FWGWCCXSEXTBST-HIFRSBDPSA-N 2 2 291.395 0.659 20 0 CCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@@H](C)[NH3+])C2)cc1 ZINC000867997478 645700437 /nfs/dbraw/zinc/70/04/37/645700437.db2.gz FWGWCCXSEXTBST-HIFRSBDPSA-N 2 2 291.395 0.659 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1C[C@H]([NH2+]CCF)C1 ZINC001020178760 651046367 /nfs/dbraw/zinc/04/63/67/651046367.db2.gz DEPZONZBOCRIFW-HAQNSBGRSA-N 2 2 294.374 0.968 20 0 CCADLP O=C(N[C@H]1C[C@H]([NH2+]CCF)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001020308887 651058386 /nfs/dbraw/zinc/05/83/86/651058386.db2.gz ULSSGQPGYOVLFZ-IJLUTSLNSA-N 2 2 280.347 0.652 20 0 CCADLP C[C@@H](O)[C@H]1CCN(c2cc(N[C@@H](C)C[NH3+])nc[nH+]2)C1 ZINC000872774425 646321662 /nfs/dbraw/zinc/32/16/62/646321662.db2.gz JUNUGJLTMIEMTC-AXFHLTTASA-N 2 2 265.361 0.443 20 0 CCADLP C[C@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@@H](CO)O1 ZINC000873209348 646357996 /nfs/dbraw/zinc/35/79/96/646357996.db2.gz MNEYOAWPGKMOIA-JQWIXIFHSA-N 2 2 282.409 0.975 20 0 CCADLP C[C@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@@H](CO)O1 ZINC000873209348 646358003 /nfs/dbraw/zinc/35/80/03/646358003.db2.gz MNEYOAWPGKMOIA-JQWIXIFHSA-N 2 2 282.409 0.975 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)CCO1 ZINC000124557110 646384241 /nfs/dbraw/zinc/38/42/41/646384241.db2.gz TVUVFSYVVNBTFU-QJPTWQEYSA-N 2 2 255.362 0.045 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)CCO1 ZINC000124557110 646384249 /nfs/dbraw/zinc/38/42/49/646384249.db2.gz TVUVFSYVVNBTFU-QJPTWQEYSA-N 2 2 255.362 0.045 20 0 CCADLP NC(=O)COc1ccc(C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000020126784 646408889 /nfs/dbraw/zinc/40/88/89/646408889.db2.gz WVPNJTVZUDQVAR-UHFFFAOYSA-N 2 2 277.368 0.736 20 0 CCADLP O=C(C[NH+]1CCCC1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000874453740 646467322 /nfs/dbraw/zinc/46/73/22/646467322.db2.gz ONWWYGIHZYQKJE-HNNXBMFYSA-N 2 2 295.427 0.796 20 0 CCADLP [NH3+]C[C@@H]1[C@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)C1(F)F ZINC000876708539 646647131 /nfs/dbraw/zinc/64/71/31/646647131.db2.gz SKGVZDVWOFYFER-ZYHUDNBSSA-N 2 2 296.321 0.570 20 0 CCADLP Cn1ncc(C[NH3+])c1C(=O)NCCCNc1cccc[nH+]1 ZINC000876727261 646650674 /nfs/dbraw/zinc/65/06/74/646650674.db2.gz GSNAOJHDIISKKS-UHFFFAOYSA-N 2 2 288.355 0.506 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876730106 646651615 /nfs/dbraw/zinc/65/16/15/646651615.db2.gz CTVGVMQKPZYHMS-OUAUKWLOSA-N 2 2 254.309 0.335 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C)[NH+]1CCOCC1 ZINC000876756408 646658104 /nfs/dbraw/zinc/65/81/04/646658104.db2.gz TYAPJGBAQDNHDN-RNJOBUHISA-N 2 2 283.416 0.585 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876849805 646680820 /nfs/dbraw/zinc/68/08/20/646680820.db2.gz ZALZFJYGNMTPLH-KAZNMXOESA-N 2 2 281.400 0.378 20 0 CCADLP [NH3+]C[C@H]1CC[C@H](CNC(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000876851818 646681489 /nfs/dbraw/zinc/68/14/89/646681489.db2.gz OVFNIPWOWWKYNJ-IZNZCIABSA-N 2 2 295.427 0.756 20 0 CCADLP Cc1cnc(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)o1 ZINC000877011815 646715940 /nfs/dbraw/zinc/71/59/40/646715940.db2.gz JSWNDVSIGJATLQ-LLVKDONJSA-N 2 2 252.362 0.709 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879569301 647074697 /nfs/dbraw/zinc/07/46/97/647074697.db2.gz MVHCCWRTKAXPIR-NTZNESFSSA-N 2 2 251.374 0.680 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879569301 647074702 /nfs/dbraw/zinc/07/47/02/647074702.db2.gz MVHCCWRTKAXPIR-NTZNESFSSA-N 2 2 251.374 0.680 20 0 CCADLP C[C@H](C(=O)NC1CC1)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879569301 647074707 /nfs/dbraw/zinc/07/47/07/647074707.db2.gz MVHCCWRTKAXPIR-NTZNESFSSA-N 2 2 251.374 0.680 20 0 CCADLP C[C@H](C(=O)NC1CC1)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879569301 647074709 /nfs/dbraw/zinc/07/47/09/647074709.db2.gz MVHCCWRTKAXPIR-NTZNESFSSA-N 2 2 251.374 0.680 20 0 CCADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000880252916 647175122 /nfs/dbraw/zinc/17/51/22/647175122.db2.gz GTTFZSQDHWWBFN-CQSZACIVSA-N 2 2 295.427 0.563 20 0 CCADLP C[C@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)CCN1c1cc[nH+]cc1 ZINC000880258809 647177242 /nfs/dbraw/zinc/17/72/42/647177242.db2.gz COONZRZEOCARNL-WCQYABFASA-N 2 2 288.351 0.397 20 0 CCADLP C[C@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)CCN1c1cc[nH+]cc1 ZINC000880258809 647177243 /nfs/dbraw/zinc/17/72/43/647177243.db2.gz COONZRZEOCARNL-WCQYABFASA-N 2 2 288.351 0.397 20 0 CCADLP Cc1cc(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)no1 ZINC000882988161 647472703 /nfs/dbraw/zinc/47/27/03/647472703.db2.gz DHCRUEKFVWPHQI-NSHDSACASA-N 2 2 252.362 0.709 20 0 CCADLP Cn1nc2c(c1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1)CSCC2 ZINC000883088493 647488444 /nfs/dbraw/zinc/48/84/44/647488444.db2.gz HDFHSKFBEILZEE-AWEZNQCLSA-N 2 2 296.440 0.366 20 0 CCADLP Cn1nc2c(c1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1)CSCC2 ZINC000883088493 647488446 /nfs/dbraw/zinc/48/84/46/647488446.db2.gz HDFHSKFBEILZEE-AWEZNQCLSA-N 2 2 296.440 0.366 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CCC[NH2+]C2)c[nH+]1 ZINC000884011641 647608977 /nfs/dbraw/zinc/60/89/77/647608977.db2.gz KZWWWMGRKRTCGX-LLVKDONJSA-N 2 2 250.346 0.795 20 0 CCADLP [NH3+][C@@H](CC1CC1)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000884211085 647669054 /nfs/dbraw/zinc/66/90/54/647669054.db2.gz SMKSUOCNLYXCDX-GJZGRUSLSA-N 2 2 295.427 0.827 20 0 CCADLP [NH3+][C@H](CC1CC1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000884317493 647705902 /nfs/dbraw/zinc/70/59/02/647705902.db2.gz WGDGDYSDSFLLSE-QWHCGFSZSA-N 2 2 274.368 0.904 20 0 CCADLP [NH3+][C@H](CC1CC1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000884317491 647706906 /nfs/dbraw/zinc/70/69/06/647706906.db2.gz WGDGDYSDSFLLSE-CHWSQXEVSA-N 2 2 274.368 0.904 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCCOCCC[NH3+])c[nH+]1 ZINC000884438601 647737677 /nfs/dbraw/zinc/73/76/77/647737677.db2.gz FVDCCRZWCKRZPL-UHFFFAOYSA-N 2 2 268.361 0.408 20 0 CCADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCNS(C)(=O)=O ZINC000887133114 648073579 /nfs/dbraw/zinc/07/35/79/648073579.db2.gz UFXWMLWQERYLIJ-GFCCVEGCSA-N 2 2 298.412 0.141 20 0 CCADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCNS(C)(=O)=O ZINC000887133114 648073587 /nfs/dbraw/zinc/07/35/87/648073587.db2.gz UFXWMLWQERYLIJ-GFCCVEGCSA-N 2 2 298.412 0.141 20 0 CCADLP [NH3+]CCCn1cc(-c2csc(Cn3cc[nH+]c3)n2)nn1 ZINC000887531443 648124611 /nfs/dbraw/zinc/12/46/11/648124611.db2.gz OUTADYJBOPPOIB-UHFFFAOYSA-N 2 2 289.368 0.995 20 0 CCADLP Cc1cc(NC(=O)NCC[N@H+](C)CCO)c(C)c[nH+]1 ZINC000887935587 648172893 /nfs/dbraw/zinc/17/28/93/648172893.db2.gz CRELPBOZIPMEDV-UHFFFAOYSA-N 2 2 266.345 0.166 20 0 CCADLP Cc1cc(NC(=O)NCC[N@@H+](C)CCO)c(C)c[nH+]1 ZINC000887935587 648172896 /nfs/dbraw/zinc/17/28/96/648172896.db2.gz CRELPBOZIPMEDV-UHFFFAOYSA-N 2 2 266.345 0.166 20 0 CCADLP C[C@H](C[NH2+][C@@H](C)c1ncco1)N1CC[NH+](C)CC1 ZINC000924960666 648391422 /nfs/dbraw/zinc/39/14/22/648391422.db2.gz LKELTVYVULBLRH-NEPJUHHUSA-N 2 2 252.362 0.961 20 0 CCADLP C[C@H](C[NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC000924960113 648391624 /nfs/dbraw/zinc/39/16/24/648391624.db2.gz YMDYNGVTEHBSEC-NEPJUHHUSA-N 2 2 291.461 0.586 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1C ZINC000925339179 648419962 /nfs/dbraw/zinc/41/99/62/648419962.db2.gz SHZYKHCCBNTDQS-UPJWGTAASA-N 2 2 291.399 0.837 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CCn3cc[nH+]c3C2)CC[N@H+]1C ZINC000925339179 648419964 /nfs/dbraw/zinc/41/99/64/648419964.db2.gz SHZYKHCCBNTDQS-UPJWGTAASA-N 2 2 291.399 0.837 20 0 CCADLP Cc1cccc(NCCNC(=O)NC[C@H]2CC[N@H+]2C)[nH+]1 ZINC000925437921 648435670 /nfs/dbraw/zinc/43/56/70/648435670.db2.gz HDZHSEUCYRLPPO-GFCCVEGCSA-N 2 2 277.372 0.805 20 0 CCADLP Cc1cccc(NCCNC(=O)NC[C@H]2CC[N@@H+]2C)[nH+]1 ZINC000925437921 648435674 /nfs/dbraw/zinc/43/56/74/648435674.db2.gz HDZHSEUCYRLPPO-GFCCVEGCSA-N 2 2 277.372 0.805 20 0 CCADLP C[C@@H](CN1CCCC1=O)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925504322 648439955 /nfs/dbraw/zinc/43/99/55/648439955.db2.gz LRRDMLBXJLJMMG-NWDGAFQWSA-N 2 2 251.374 0.872 20 0 CCADLP c1ncn(-c2ccc(C[NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)cn2)n1 ZINC000925551179 648442687 /nfs/dbraw/zinc/44/26/87/648442687.db2.gz AJUYRXKACDQLOQ-XNHWPECASA-N 2 2 296.378 0.748 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000925577790 648444698 /nfs/dbraw/zinc/44/46/98/648444698.db2.gz WNCXUWKCMQSJNN-QWRGUYRKSA-N 2 2 260.403 0.541 20 0 CCADLP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@@H]1CCC[NH2+]1 ZINC000925848296 648466332 /nfs/dbraw/zinc/46/63/32/648466332.db2.gz FCDNBKZXHQIUBB-AGIUHOORSA-N 3 2 281.400 0.402 20 0 CCADLP C[C@@H](O)[C@H](O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000930129460 648828229 /nfs/dbraw/zinc/82/82/29/648828229.db2.gz PPQBFMBTYHTGEQ-DGCLKSJQSA-N 2 2 265.357 0.700 20 0 CCADLP C[C@H]1C[N@H+](CCN2CCc3[nH+]ccc(N)c3C2)CCO1 ZINC000931518259 649000222 /nfs/dbraw/zinc/00/02/22/649000222.db2.gz JIRHLTQSONURSO-LBPRGKRZSA-N 2 2 276.384 0.743 20 0 CCADLP C[C@H]1C[N@@H+](CCN2CCc3[nH+]ccc(N)c3C2)CCO1 ZINC000931518259 649000226 /nfs/dbraw/zinc/00/02/26/649000226.db2.gz JIRHLTQSONURSO-LBPRGKRZSA-N 2 2 276.384 0.743 20 0 CCADLP C[C@H](CNC(=O)CC[NH2+]C(C)(C)C)[NH+]1CCN(C)CC1 ZINC000932722476 649086927 /nfs/dbraw/zinc/08/69/27/649086927.db2.gz AWQKRPZSPVZGNM-CYBMUJFWSA-N 2 2 284.448 0.517 20 0 CCADLP CON(C)C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000091593674 649707963 /nfs/dbraw/zinc/70/79/63/649707963.db2.gz BMFJCLYVASVSRD-NEPJUHHUSA-N 2 2 255.362 0.422 20 0 CCADLP CON(C)C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000091593674 649707964 /nfs/dbraw/zinc/70/79/64/649707964.db2.gz BMFJCLYVASVSRD-NEPJUHHUSA-N 2 2 255.362 0.422 20 0 CCADLP CON(C)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000091593674 649707966 /nfs/dbraw/zinc/70/79/66/649707966.db2.gz BMFJCLYVASVSRD-NEPJUHHUSA-N 2 2 255.362 0.422 20 0 CCADLP CON(C)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000091593674 649707967 /nfs/dbraw/zinc/70/79/67/649707967.db2.gz BMFJCLYVASVSRD-NEPJUHHUSA-N 2 2 255.362 0.422 20 0 CCADLP Cc1cc(NC[C@@H]2CN(C)CC[N@@H+]2C)nc(N)[nH+]1 ZINC000096474982 649814995 /nfs/dbraw/zinc/81/49/95/649814995.db2.gz KKQQYHYYNIYDEG-SNVBAGLBSA-N 2 2 250.350 0.025 20 0 CCADLP Cc1cc(NC[C@@H]2CN(C)CC[N@H+]2C)nc(N)[nH+]1 ZINC000096474982 649814996 /nfs/dbraw/zinc/81/49/96/649814996.db2.gz KKQQYHYYNIYDEG-SNVBAGLBSA-N 2 2 250.350 0.025 20 0 CCADLP C[NH+](C)CCN1CC[NH+](C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001208603481 790426700 /nfs/dbraw/zinc/42/67/00/790426700.db2.gz CWPTUVXJSFPJGE-HNNXBMFYSA-N 3 2 268.449 0.507 20 0 CCADLP C[NH+](C)CCN1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001208603481 790426703 /nfs/dbraw/zinc/42/67/03/790426703.db2.gz CWPTUVXJSFPJGE-HNNXBMFYSA-N 3 2 268.449 0.507 20 0 CCADLP COc1cncc(C[NH+]2CCN(CC[NH+](C)C)CC2)c1 ZINC001206990046 790855880 /nfs/dbraw/zinc/85/58/80/790855880.db2.gz YWWYQTVDPSULNG-UHFFFAOYSA-N 2 2 278.400 0.769 20 0 CCADLP C[C@@H](O)CCC[NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001266610262 791023051 /nfs/dbraw/zinc/02/30/51/791023051.db2.gz OKHDDTBJHNIENE-MGPQQGTHSA-N 2 2 294.399 0.671 20 0 CCADLP COCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001266626186 791052884 /nfs/dbraw/zinc/05/28/84/791052884.db2.gz AEBHCQHNNGEBHB-SRVKXCTJSA-N 2 2 280.372 0.472 20 0 CCADLP COCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001266626186 791052892 /nfs/dbraw/zinc/05/28/92/791052892.db2.gz AEBHCQHNNGEBHB-SRVKXCTJSA-N 2 2 280.372 0.472 20 0 CCADLP CC(C)COCC[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001266629001 791054498 /nfs/dbraw/zinc/05/44/98/791054498.db2.gz VVWKRZMQDMXBRD-JOCQHMNTSA-N 2 2 294.399 0.862 20 0 CCADLP CC[C@@H]([NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1)C(N)=O ZINC001167429868 791066666 /nfs/dbraw/zinc/06/66/66/791066666.db2.gz ZIBHEENNTBLNGO-NWDGAFQWSA-N 2 2 295.387 0.194 20 0 CCADLP CC[N@H+](CCO)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001098548405 791110301 /nfs/dbraw/zinc/11/03/01/791110301.db2.gz SFXXZXVYLVTIEW-UHFFFAOYSA-N 2 2 294.399 0.566 20 0 CCADLP CC[N@@H+](CCO)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001098548405 791110304 /nfs/dbraw/zinc/11/03/04/791110304.db2.gz SFXXZXVYLVTIEW-UHFFFAOYSA-N 2 2 294.399 0.566 20 0 CCADLP C[NH+](C)CCN1CC2(C1)CC[NH+](CCn1cc[nH+]c1)CC2 ZINC001277544526 805825185 /nfs/dbraw/zinc/82/51/85/805825185.db2.gz JWFIQAHLZWWBME-UHFFFAOYSA-N 3 2 291.443 0.843 20 0 CCADLP COC[C@H](C(=O)OC)[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC001277570723 805858758 /nfs/dbraw/zinc/85/87/58/805858758.db2.gz DKFXJAXWEUOVTB-GFCCVEGCSA-N 2 2 270.373 0.592 20 0 CCADLP COC[C@H](C(=O)OC)[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001277570723 805858767 /nfs/dbraw/zinc/85/87/67/805858767.db2.gz DKFXJAXWEUOVTB-GFCCVEGCSA-N 2 2 270.373 0.592 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001245985052 807107173 /nfs/dbraw/zinc/10/71/73/807107173.db2.gz SFMDBKAZPCROLY-XQQFMLRXSA-N 3 2 257.422 0.713 20 0 CCADLP C[C@H](CC(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1)n1cc[nH+]c1 ZINC001266717166 791176385 /nfs/dbraw/zinc/17/63/85/791176385.db2.gz YDOAIUYFCTZRNT-UTUOFQBUSA-N 2 2 266.345 0.063 20 0 CCADLP C[C@@H]1CC[N@H+](CCNC(=O)NCCCn2cc[nH+]c2)C1 ZINC000891426811 791215782 /nfs/dbraw/zinc/21/57/82/791215782.db2.gz PIRYSFWUWQNWOX-CYBMUJFWSA-N 2 2 279.388 0.914 20 0 CCADLP C[C@@H]1CC[N@@H+](CCNC(=O)NCCCn2cc[nH+]c2)C1 ZINC000891426811 791215793 /nfs/dbraw/zinc/21/57/93/791215793.db2.gz PIRYSFWUWQNWOX-CYBMUJFWSA-N 2 2 279.388 0.914 20 0 CCADLP O=C1CNC(=O)N1CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926160403 791234917 /nfs/dbraw/zinc/23/49/17/791234917.db2.gz FHGJNXBZFJUIMP-NWDGAFQWSA-N 2 2 280.372 0.145 20 0 CCADLP O=C1CNC(=O)N1CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926160403 791234928 /nfs/dbraw/zinc/23/49/28/791234928.db2.gz FHGJNXBZFJUIMP-NWDGAFQWSA-N 2 2 280.372 0.145 20 0 CCADLP C[C@@H]1CCC[N@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)[C@H]1C[NH3+] ZINC000724568854 791595370 /nfs/dbraw/zinc/59/53/70/791595370.db2.gz LAUMBOQHUGXUDJ-DGTMBMJNSA-N 2 2 254.374 0.850 20 0 CCADLP C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)[C@H]1C[NH3+] ZINC000724568854 791595375 /nfs/dbraw/zinc/59/53/75/791595375.db2.gz LAUMBOQHUGXUDJ-DGTMBMJNSA-N 2 2 254.374 0.850 20 0 CCADLP Nc1cc(CNc2ccnc(N3CC[NH2+]CC3)n2)cc[nH+]1 ZINC001167614432 791631503 /nfs/dbraw/zinc/63/15/03/791631503.db2.gz MXEQCPYTZKQFRS-UHFFFAOYSA-N 2 2 285.355 0.476 20 0 CCADLP COC(=O)C[NH+]1CCC2(CC[N@H+](CCN(C)C)C2)CC1 ZINC001277821832 806148556 /nfs/dbraw/zinc/14/85/56/806148556.db2.gz PIRGVHFASCPVDZ-UHFFFAOYSA-N 2 2 283.416 0.509 20 0 CCADLP COC(=O)C[NH+]1CCC2(CC[N@@H+](CCN(C)C)C2)CC1 ZINC001277821832 806148561 /nfs/dbraw/zinc/14/85/61/806148561.db2.gz PIRGVHFASCPVDZ-UHFFFAOYSA-N 2 2 283.416 0.509 20 0 CCADLP COC(=O)C[N@@H+]1CCC[C@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001277820677 806155634 /nfs/dbraw/zinc/15/56/34/806155634.db2.gz COGGTXHIOVIPEI-INIZCTEOSA-N 2 2 297.443 0.899 20 0 CCADLP COC(=O)C[N@H+]1CCC[C@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001277820677 806155635 /nfs/dbraw/zinc/15/56/35/806155635.db2.gz COGGTXHIOVIPEI-INIZCTEOSA-N 2 2 297.443 0.899 20 0 CCADLP CC[N@H+](CCNC(=O)Cc1c[nH+]cn1C)CC1CC1 ZINC001267255195 793251192 /nfs/dbraw/zinc/25/11/92/793251192.db2.gz CAALRWKJEZDASJ-UHFFFAOYSA-N 2 2 264.373 0.811 20 0 CCADLP CC[N@@H+](CCNC(=O)Cc1c[nH+]cn1C)CC1CC1 ZINC001267255195 793251201 /nfs/dbraw/zinc/25/12/01/793251201.db2.gz CAALRWKJEZDASJ-UHFFFAOYSA-N 2 2 264.373 0.811 20 0 CCADLP c1[nH]c2ncncc2c1C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235059782 806362863 /nfs/dbraw/zinc/36/28/63/806362863.db2.gz FKTAIQAYLVKBGG-AWEZNQCLSA-N 2 2 272.356 0.047 20 0 CCADLP c1[nH]c2ncncc2c1C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235059782 806362872 /nfs/dbraw/zinc/36/28/72/806362872.db2.gz FKTAIQAYLVKBGG-AWEZNQCLSA-N 2 2 272.356 0.047 20 0 CCADLP c1cc2c(cc1C[N@@H+]1CCN[C@@]3(CC[NH2+]C3)C1)C[NH2+]CC2 ZINC001235059119 806360886 /nfs/dbraw/zinc/36/08/86/806360886.db2.gz BRXIILHQHVAJKC-QGZVFWFLSA-N 3 2 286.423 0.470 20 0 CCADLP c1cc2c(cc1C[N@H+]1CCN[C@@]3(CC[NH2+]C3)C1)C[NH2+]CC2 ZINC001235059119 806360896 /nfs/dbraw/zinc/36/08/96/806360896.db2.gz BRXIILHQHVAJKC-QGZVFWFLSA-N 3 2 286.423 0.470 20 0 CCADLP C[C@H]([NH3+])CN1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001235487306 806433334 /nfs/dbraw/zinc/43/33/34/806433334.db2.gz WGOUBZRFCBMWAQ-JTQLQIEISA-N 2 2 261.329 0.625 20 0 CCADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](CCCO)CC2 ZINC001235488098 806433617 /nfs/dbraw/zinc/43/36/17/806433617.db2.gz JYZXCUSNSQHXEY-UHFFFAOYSA-N 2 2 269.389 0.045 20 0 CCADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](CCCO)CC2 ZINC001235488098 806433622 /nfs/dbraw/zinc/43/36/22/806433622.db2.gz JYZXCUSNSQHXEY-UHFFFAOYSA-N 2 2 269.389 0.045 20 0 CCADLP CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C[C@@H](C)[NH3+] ZINC001235514406 806441162 /nfs/dbraw/zinc/44/11/62/806441162.db2.gz GOBCCAFPZGSSLR-BXUZGUMPSA-N 2 2 293.415 0.847 20 0 CCADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](CCCC[NH3+])C[C@@H]3C2)cn1 ZINC001235531793 806447545 /nfs/dbraw/zinc/44/75/45/806447545.db2.gz VFBQBJNCPYQORB-HZPDHXFCSA-N 3 2 291.443 0.913 20 0 CCADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](CCCC[NH3+])C[C@@H]3C2)cn1 ZINC001235531793 806447551 /nfs/dbraw/zinc/44/75/51/806447551.db2.gz VFBQBJNCPYQORB-HZPDHXFCSA-N 3 2 291.443 0.913 20 0 CCADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](CCCC[NH3+])C[C@@H]3C2)cn1 ZINC001235531793 806447557 /nfs/dbraw/zinc/44/75/57/806447557.db2.gz VFBQBJNCPYQORB-HZPDHXFCSA-N 3 2 291.443 0.913 20 0 CCADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](CCCC[NH3+])C[C@@H]3C2)cn1 ZINC001235531793 806447564 /nfs/dbraw/zinc/44/75/64/806447564.db2.gz VFBQBJNCPYQORB-HZPDHXFCSA-N 3 2 291.443 0.913 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@]2(C[C@@H](OCC(=O)N(C)C)CO2)C1 ZINC001235573279 806459419 /nfs/dbraw/zinc/45/94/19/806459419.db2.gz GHSBXIAGKGWQFE-GZBFAFLISA-N 2 2 299.415 0.062 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@]2(C[C@@H](OCC(=O)N(C)C)CO2)C1 ZINC001235573279 806459422 /nfs/dbraw/zinc/45/94/22/806459422.db2.gz GHSBXIAGKGWQFE-GZBFAFLISA-N 2 2 299.415 0.062 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1CC[C@]2(C[C@@H]2C(=O)NCc2cccnc2)C1 ZINC001235613566 806473615 /nfs/dbraw/zinc/47/36/15/806473615.db2.gz XPIMHOSEVUDAPP-BJJXKVORSA-N 2 2 288.395 0.757 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1CC[C@]2(C[C@@H]2C(=O)NCc2cccnc2)C1 ZINC001235613566 806473619 /nfs/dbraw/zinc/47/36/19/806473619.db2.gz XPIMHOSEVUDAPP-BJJXKVORSA-N 2 2 288.395 0.757 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([NH3+])C[N@H+](CC2CC3(C2)CC[NH2+]CC3)C1 ZINC001235769878 806502408 /nfs/dbraw/zinc/50/24/08/806502408.db2.gz ICMQEOVWOPJGCI-ZIAGYGMSSA-N 3 2 295.427 0.588 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([NH3+])C[N@@H+](CC2CC3(C2)CC[NH2+]CC3)C1 ZINC001235769878 806502412 /nfs/dbraw/zinc/50/24/12/806502412.db2.gz ICMQEOVWOPJGCI-ZIAGYGMSSA-N 3 2 295.427 0.588 20 0 CCADLP Cn1cc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c(C2CC2)n1 ZINC001235999193 806526568 /nfs/dbraw/zinc/52/65/68/806526568.db2.gz YOGXFPNGAGLQHE-PBWFPOADSA-N 2 2 276.384 0.703 20 0 CCADLP Cn1cc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c(C2CC2)n1 ZINC001235999193 806526571 /nfs/dbraw/zinc/52/65/71/806526571.db2.gz YOGXFPNGAGLQHE-PBWFPOADSA-N 2 2 276.384 0.703 20 0 CCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235982711 806522659 /nfs/dbraw/zinc/52/26/59/806522659.db2.gz WSAUXBSFKQFKDO-UFBFGSQYSA-N 2 2 250.302 0.119 20 0 CCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235982711 806522666 /nfs/dbraw/zinc/52/26/66/806522666.db2.gz WSAUXBSFKQFKDO-UFBFGSQYSA-N 2 2 250.302 0.119 20 0 CCADLP CS(=O)(=O)Nc1ccc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235990440 806523072 /nfs/dbraw/zinc/52/30/72/806523072.db2.gz MCLSFJNBQBGSRM-OCCSQVGLSA-N 2 2 295.408 0.981 20 0 CCADLP CS(=O)(=O)Nc1ccc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235990440 806523076 /nfs/dbraw/zinc/52/30/76/806523076.db2.gz MCLSFJNBQBGSRM-OCCSQVGLSA-N 2 2 295.408 0.981 20 0 CCADLP CCn1nc(C)c(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1C ZINC001235992137 806524076 /nfs/dbraw/zinc/52/40/76/806524076.db2.gz AGMYHYISZNOVKI-NNQSOWQGSA-N 2 2 278.400 0.925 20 0 CCADLP CCn1nc(C)c(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1C ZINC001235992137 806524077 /nfs/dbraw/zinc/52/40/77/806524077.db2.gz AGMYHYISZNOVKI-NNQSOWQGSA-N 2 2 278.400 0.925 20 0 CCADLP Cn1c[nH+]c2c1CCN(C[C@@H]1C[NH2+]C(C)(C)O1)C2 ZINC001236041060 806534309 /nfs/dbraw/zinc/53/43/09/806534309.db2.gz FOMLVKOVQVHDTD-JTQLQIEISA-N 2 2 250.346 0.503 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cccn2cc[nH+]c12 ZINC001236197608 806550526 /nfs/dbraw/zinc/55/05/26/806550526.db2.gz KQYUJHKNOAAKTL-RYUDHWBXSA-N 2 2 274.324 0.409 20 0 CCADLP CN1CC2(CC1=O)CC[NH+](C[C@@H]1C[NH2+]C(C)(C)O1)CC2 ZINC001236302673 806564879 /nfs/dbraw/zinc/56/48/79/806564879.db2.gz BGRNOIUSBKORLI-LBPRGKRZSA-N 2 2 281.400 0.655 20 0 CCADLP COCC[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC001236336528 806568267 /nfs/dbraw/zinc/56/82/67/806568267.db2.gz YXCROHUSABYMFO-KBPBESRZSA-N 3 2 255.406 0.686 20 0 CCADLP COCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC001236336528 806568271 /nfs/dbraw/zinc/56/82/71/806568271.db2.gz YXCROHUSABYMFO-KBPBESRZSA-N 3 2 255.406 0.686 20 0 CCADLP COCC[N@H+](CCC1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC001236335273 806568764 /nfs/dbraw/zinc/56/87/64/806568764.db2.gz TUZCKDIVNWKNFN-CQSZACIVSA-N 3 2 255.406 0.686 20 0 CCADLP COCC[N@@H+](CCC1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC001236335273 806568772 /nfs/dbraw/zinc/56/87/72/806568772.db2.gz TUZCKDIVNWKNFN-CQSZACIVSA-N 3 2 255.406 0.686 20 0 CCADLP C[NH+](C)CCC[N@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1cn[nH]c1 ZINC001278048787 806637991 /nfs/dbraw/zinc/63/79/91/806637991.db2.gz DBKQXOADCXZDIX-CABCVRRESA-N 2 2 293.415 0.246 20 0 CCADLP C[NH+](C)CCC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1cn[nH]c1 ZINC001278048787 806637996 /nfs/dbraw/zinc/63/79/96/806637996.db2.gz DBKQXOADCXZDIX-CABCVRRESA-N 2 2 293.415 0.246 20 0 CCADLP C[C@H]1C[NH+](C2CN(C[C@@H]3C[NH2+]C(C)(C)O3)C2)C[C@H](C)O1 ZINC001237109126 806640246 /nfs/dbraw/zinc/64/02/46/806640246.db2.gz WAOUVKYZJWLCOI-OBJOEFQTSA-N 2 2 283.416 0.504 20 0 CCADLP [NH3+]C1CC2(C1)CC(NC(=O)NCCCn1cc[nH+]c1)C2 ZINC001120660601 798907318 /nfs/dbraw/zinc/90/73/18/798907318.db2.gz WAZIYUVCZTTWDG-UHFFFAOYSA-N 2 2 277.372 0.842 20 0 CCADLP COC1CC[NH+](CCNc2cc(N)[nH+]cn2)CC1 ZINC001120906595 798959041 /nfs/dbraw/zinc/95/90/41/798959041.db2.gz QZJAMNWADIEAMA-UHFFFAOYSA-N 2 2 251.334 0.582 20 0 CCADLP CC(C)(O)[C@H]([NH3+])C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001121915970 799093520 /nfs/dbraw/zinc/09/35/20/799093520.db2.gz NKPTYVNQHIVDLY-SNVBAGLBSA-N 2 2 266.345 0.214 20 0 CCADLP C[N@@H+]1CCC[C@@H](C[NH+]2CC[C@@H](C(N)=O)n3nccc3C2)C1 ZINC001278143773 806715894 /nfs/dbraw/zinc/71/58/94/806715894.db2.gz VEOPJELGHQMCNR-OCCSQVGLSA-N 2 2 291.399 0.457 20 0 CCADLP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@@H](C(N)=O)n3nccc3C2)C1 ZINC001278143773 806715899 /nfs/dbraw/zinc/71/58/99/806715899.db2.gz VEOPJELGHQMCNR-OCCSQVGLSA-N 2 2 291.399 0.457 20 0 CCADLP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@@H](C(N)=O)n3nccc3C2)C1 ZINC001278143773 806715905 /nfs/dbraw/zinc/71/59/05/806715905.db2.gz VEOPJELGHQMCNR-OCCSQVGLSA-N 2 2 291.399 0.457 20 0 CCADLP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@@H](C(N)=O)n3nccc3C2)C1 ZINC001278143773 806715910 /nfs/dbraw/zinc/71/59/10/806715910.db2.gz VEOPJELGHQMCNR-OCCSQVGLSA-N 2 2 291.399 0.457 20 0 CCADLP C[C@@H]1CCC[N@H+](CCNC(=O)C[C@H]([NH3+])C(F)F)C1 ZINC001121982256 799112296 /nfs/dbraw/zinc/11/22/96/799112296.db2.gz CUWJAHMTXBOBIH-ZJUUUORDSA-N 2 2 263.332 0.817 20 0 CCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)C[C@H]([NH3+])C(F)F)C1 ZINC001121982256 799112302 /nfs/dbraw/zinc/11/23/02/799112302.db2.gz CUWJAHMTXBOBIH-ZJUUUORDSA-N 2 2 263.332 0.817 20 0 CCADLP C[C@H](C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1)n1cc[nH+]c1 ZINC001122209108 799170295 /nfs/dbraw/zinc/17/02/95/799170295.db2.gz AVKCZIRIBOVSNG-IJLUTSLNSA-N 2 2 250.346 0.887 20 0 CCADLP COc1ccoc1C[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001237874217 806729207 /nfs/dbraw/zinc/72/92/07/806729207.db2.gz KBNSYBYZGVBVHW-UHFFFAOYSA-N 2 2 267.373 0.967 20 0 CCADLP COc1ccoc1C[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001237874217 806729210 /nfs/dbraw/zinc/72/92/10/806729210.db2.gz KBNSYBYZGVBVHW-UHFFFAOYSA-N 2 2 267.373 0.967 20 0 CCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@@](C)(O)C3)s2)CC1 ZINC001139322158 799804571 /nfs/dbraw/zinc/80/45/71/799804571.db2.gz PGIWYGGPXIIUNH-CQSZACIVSA-N 2 2 296.440 0.852 20 0 CCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@@](C)(O)C3)s2)CC1 ZINC001139322158 799804578 /nfs/dbraw/zinc/80/45/78/799804578.db2.gz PGIWYGGPXIIUNH-CQSZACIVSA-N 2 2 296.440 0.852 20 0 CCADLP C[NH+]1CCC2(C[NH+](Cc3c(O)nc[nH]c3=O)C2)CC1 ZINC001140473199 799914364 /nfs/dbraw/zinc/91/43/64/799914364.db2.gz QPCGQDCEOHVYPP-UHFFFAOYSA-N 2 2 264.329 0.415 20 0 CCADLP C[NH+]1CCC2(C[NH+](CC3C(=O)N=CNC3=O)C2)CC1 ZINC001140473199 799914375 /nfs/dbraw/zinc/91/43/75/799914375.db2.gz QPCGQDCEOHVYPP-UHFFFAOYSA-N 2 2 264.329 0.415 20 0 CCADLP c1cn2ccc(C[N@H+]3CCc4nncn4CC3)cc2[nH+]1 ZINC001141047849 799976714 /nfs/dbraw/zinc/97/67/14/799976714.db2.gz VGTZCXMCNFCKAR-UHFFFAOYSA-N 2 2 268.324 0.984 20 0 CCADLP c1cn2ccc(C[N@@H+]3CCc4nncn4CC3)cc2[nH+]1 ZINC001141047849 799976718 /nfs/dbraw/zinc/97/67/18/799976718.db2.gz VGTZCXMCNFCKAR-UHFFFAOYSA-N 2 2 268.324 0.984 20 0 CCADLP C[NH+]1CCN(C2C[NH+](Cc3ccnc4[nH]ccc43)C2)CC1 ZINC001142883937 800168304 /nfs/dbraw/zinc/16/83/04/800168304.db2.gz SJAQIQQWUAGJGQ-UHFFFAOYSA-N 2 2 285.395 0.995 20 0 CCADLP c1cn2cc(C[N@H+]3CCc4nncn4CC3)ccc2[nH+]1 ZINC001143023278 800185293 /nfs/dbraw/zinc/18/52/93/800185293.db2.gz XEPQSTYEEWODKE-UHFFFAOYSA-N 2 2 268.324 0.984 20 0 CCADLP c1cn2cc(C[N@@H+]3CCc4nncn4CC3)ccc2[nH+]1 ZINC001143023278 800185300 /nfs/dbraw/zinc/18/53/00/800185300.db2.gz XEPQSTYEEWODKE-UHFFFAOYSA-N 2 2 268.324 0.984 20 0 CCADLP COCCCC[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149571350 800278015 /nfs/dbraw/zinc/27/80/15/800278015.db2.gz ZJNBNZMWHZNLOF-UHFFFAOYSA-N 2 2 282.388 0.485 20 0 CCADLP CCCc1noc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001151049792 800390574 /nfs/dbraw/zinc/39/05/74/800390574.db2.gz ZAPKASMRYHYMEN-LLVKDONJSA-N 2 2 295.387 0.180 20 0 CCADLP CCCc1noc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001151049792 800390582 /nfs/dbraw/zinc/39/05/82/800390582.db2.gz ZAPKASMRYHYMEN-LLVKDONJSA-N 2 2 295.387 0.180 20 0 CCADLP Cc1cc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2C)nn1C ZINC001151147008 800404104 /nfs/dbraw/zinc/40/41/04/800404104.db2.gz CZDHPHMTAOEWTN-UHFFFAOYSA-N 2 2 290.371 0.139 20 0 CCADLP CCCCC[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001151814501 800461642 /nfs/dbraw/zinc/46/16/42/800461642.db2.gz HFXZFPGDNHIJNL-OAHLLOKOSA-N 2 2 297.443 0.993 20 0 CCADLP Cc1noc([C@H](C)[NH2+]CCNC(=O)C[N@@H+](C)C(C)C)n1 ZINC001152445220 800522836 /nfs/dbraw/zinc/52/28/36/800522836.db2.gz DQPYBJVLHZEKCW-JTQLQIEISA-N 2 2 283.376 0.485 20 0 CCADLP Cc1noc([C@H](C)[NH2+]CCNC(=O)C[N@H+](C)C(C)C)n1 ZINC001152445220 800522840 /nfs/dbraw/zinc/52/28/40/800522840.db2.gz DQPYBJVLHZEKCW-JTQLQIEISA-N 2 2 283.376 0.485 20 0 CCADLP CC[NH+](CC)CCN1CCN(Cc2c[nH+]cn2C)CC1 ZINC001204381123 800612591 /nfs/dbraw/zinc/61/25/91/800612591.db2.gz HTZLVDFJONFONW-UHFFFAOYSA-N 2 2 279.432 0.880 20 0 CCADLP CC[NH+](CC)CCN1CC[NH+](Cc2cncn2C)CC1 ZINC001204381123 800612593 /nfs/dbraw/zinc/61/25/93/800612593.db2.gz HTZLVDFJONFONW-UHFFFAOYSA-N 2 2 279.432 0.880 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CCc1ccccc1 ZINC001153495631 800634889 /nfs/dbraw/zinc/63/48/89/800634889.db2.gz LPNGLAJYYABXMF-UHFFFAOYSA-N 2 2 272.352 0.832 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]C[C@H]1C[C@]12CCOC2 ZINC001153495263 800635594 /nfs/dbraw/zinc/63/55/94/800635594.db2.gz GIVRVPXLGVKKRA-OCCSQVGLSA-N 2 2 278.356 0.016 20 0 CCADLP C[C@@H]1CC[C@H](C[NH2+]CCNC(=O)Cn2cc[nH+]c2)O1 ZINC001153496315 800635676 /nfs/dbraw/zinc/63/56/76/800635676.db2.gz ZERKPBXJBLHSEF-VXGBXAGGSA-N 2 2 266.345 0.156 20 0 CCADLP CC[N@H+](CCF)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153997863 800700948 /nfs/dbraw/zinc/70/09/48/800700948.db2.gz AGWOSFVBKRMYJV-JHJVBQTASA-N 2 2 289.395 0.502 20 0 CCADLP CC[N@@H+](CCF)[C@H](C)CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001153997863 800700950 /nfs/dbraw/zinc/70/09/50/800700950.db2.gz AGWOSFVBKRMYJV-JHJVBQTASA-N 2 2 289.395 0.502 20 0 CCADLP CC[NH+](CCF)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001153997863 800700954 /nfs/dbraw/zinc/70/09/54/800700954.db2.gz AGWOSFVBKRMYJV-JHJVBQTASA-N 2 2 289.395 0.502 20 0 CCADLP CC[NH+](CCF)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001153997863 800700958 /nfs/dbraw/zinc/70/09/58/800700958.db2.gz AGWOSFVBKRMYJV-JHJVBQTASA-N 2 2 289.395 0.502 20 0 CCADLP CC[N@H+](C[C@@H](C)O)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155469937 800982673 /nfs/dbraw/zinc/98/26/73/800982673.db2.gz KRZGSWVUKOASJE-GHMZBOCLSA-N 2 2 268.361 0.160 20 0 CCADLP CC[N@@H+](C[C@@H](C)O)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155469937 800982680 /nfs/dbraw/zinc/98/26/80/800982680.db2.gz KRZGSWVUKOASJE-GHMZBOCLSA-N 2 2 268.361 0.160 20 0 CCADLP Nc1[nH+]c(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)ccc1Cl ZINC001155484114 800987674 /nfs/dbraw/zinc/98/76/74/800987674.db2.gz DVCUBHJDQGEXNY-NQMVMOMDSA-N 2 2 268.748 0.964 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](C)CC1(C)C ZINC001156597951 801193348 /nfs/dbraw/zinc/19/33/48/801193348.db2.gz MSKAGGHXCWQBDJ-LLVKDONJSA-N 2 2 250.346 0.419 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](C)CC1(C)C ZINC001156597951 801193349 /nfs/dbraw/zinc/19/33/49/801193349.db2.gz MSKAGGHXCWQBDJ-LLVKDONJSA-N 2 2 250.346 0.419 20 0 CCADLP [NH3+]CCc1ccn(-c2cc(-n3cc[nH+]c3)ccn2)n1 ZINC001156904830 801260565 /nfs/dbraw/zinc/26/05/65/801260565.db2.gz FWTUVBILBZLROT-UHFFFAOYSA-N 2 2 254.297 0.954 20 0 CCADLP CC[N@H+](C[C@H](C)O)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248846 801332250 /nfs/dbraw/zinc/33/22/50/801332250.db2.gz ZPVMXGBKNJHWOK-KGLIPLIRSA-N 2 2 296.415 0.871 20 0 CCADLP CC[N@@H+](C[C@H](C)O)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248846 801332259 /nfs/dbraw/zinc/33/22/59/801332259.db2.gz ZPVMXGBKNJHWOK-KGLIPLIRSA-N 2 2 296.415 0.871 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCCC[NH2+]CCn1cccn1 ZINC001157264800 801335995 /nfs/dbraw/zinc/33/59/95/801335995.db2.gz LFXDLYPTXMIKQU-UHFFFAOYSA-N 2 2 290.371 0.335 20 0 CCADLP CC[N@H+](CCC[C@H](C)O)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157293840 801345352 /nfs/dbraw/zinc/34/53/52/801345352.db2.gz MALSJFWKWUSPOL-KGLIPLIRSA-N 2 2 296.415 0.871 20 0 CCADLP CC[N@@H+](CCC[C@H](C)O)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157293840 801345360 /nfs/dbraw/zinc/34/53/60/801345360.db2.gz MALSJFWKWUSPOL-KGLIPLIRSA-N 2 2 296.415 0.871 20 0 CCADLP Cn1cc[nH+]c1CCNC(=O)[C@@H]([NH3+])C1CCCCC1 ZINC001157422782 801376710 /nfs/dbraw/zinc/37/67/10/801376710.db2.gz ODAYFUZHSIGDAX-ZDUSSCGKSA-N 2 2 264.373 0.986 20 0 CCADLP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)NCCc1[nH+]ccn1C ZINC001157420852 801376981 /nfs/dbraw/zinc/37/69/81/801376981.db2.gz BESDBJSATKSNLA-ZYHUDNBSSA-N 2 2 282.388 0.610 20 0 CCADLP Cc1cc(N(C(N)=[NH2+])C(=O)[C@H]2C[C@H](C)CC[NH2+]2)n[nH]1 ZINC001157439563 801382030 /nfs/dbraw/zinc/38/20/30/801382030.db2.gz KDHMOATUBQMRDH-VXNVDRBHSA-N 2 2 264.333 0.333 20 0 CCADLP CCN(CCn1cc[nH+]c1)c1ncc2c(n1)C[NH2+]C2 ZINC001157462454 801390593 /nfs/dbraw/zinc/39/05/93/801390593.db2.gz JADARZDIFFXEAT-UHFFFAOYSA-N 2 2 258.329 0.803 20 0 CCADLP [NH3+]C[C@]1(F)CCN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC001157817376 801493743 /nfs/dbraw/zinc/49/37/43/801493743.db2.gz MGEDHOGTFVRYDP-CQSZACIVSA-N 3 2 279.363 0.368 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2nnc(Cl)cc2F)CC1 ZINC001157914606 801518734 /nfs/dbraw/zinc/51/87/34/801518734.db2.gz CAGRPAIZMYYPPY-UHFFFAOYSA-N 2 2 272.715 0.863 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(Cl)nn2)CC1 ZINC001157915134 801519231 /nfs/dbraw/zinc/51/92/31/801519231.db2.gz QXWKCKRIKLURQS-UHFFFAOYSA-N 2 2 254.725 0.724 20 0 CCADLP CCn1cnc2c1ncnc2NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001157916412 801521064 /nfs/dbraw/zinc/52/10/64/801521064.db2.gz XIZBLZMWKYFFOM-UHFFFAOYSA-N 2 2 288.359 0.440 20 0 CCADLP Cc1nc2cnc(NC(=[NH2+])N3CC[NH+](C)CC3)nc2[nH]1 ZINC001157915495 801521269 /nfs/dbraw/zinc/52/12/69/801521269.db2.gz QFASCLXEHYRFKX-UHFFFAOYSA-N 2 2 274.332 0.207 20 0 CCADLP CC(=O)OC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157960919 801541065 /nfs/dbraw/zinc/54/10/65/801541065.db2.gz SVLDUBUNUVSHAV-KBPBESRZSA-N 2 2 291.351 0.050 20 0 CCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@](C)([NH3+])CC(C)C ZINC001157998992 801549820 /nfs/dbraw/zinc/54/98/20/801549820.db2.gz LTGFKMIQKWUGQS-BXUZGUMPSA-N 2 2 285.388 0.113 20 0 CCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@]1(C)CC(C)(C)C[NH2+]1 ZINC001158000170 801552114 /nfs/dbraw/zinc/55/21/14/801552114.db2.gz WKGHOEDGEDYIPS-NHYWBVRUSA-N 2 2 297.399 0.128 20 0 CCADLP CN(CC(=O)N1CC[C@@H]2[NH2+]CC[C@H]21)c1cccc[nH+]1 ZINC001158193574 801587885 /nfs/dbraw/zinc/58/78/85/801587885.db2.gz PYNSSGIXOVNKHN-NWDGAFQWSA-N 2 2 260.341 0.481 20 0 CCADLP COC(=O)c1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c(F)c1 ZINC001158204974 801592614 /nfs/dbraw/zinc/59/26/14/801592614.db2.gz ZBIYSTSFZFYPQQ-SECBINFHSA-N 2 2 294.286 0.055 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nnc(Cl)cc1F ZINC001158204923 801593218 /nfs/dbraw/zinc/59/32/18/801593218.db2.gz VVXLOTGNMJWNRH-ZCFIWIBFSA-N 2 2 271.683 0.317 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Nc2ncc(C)cc2C[NH3+])C[NH2+]1 ZINC001158254751 801605025 /nfs/dbraw/zinc/60/50/25/801605025.db2.gz KFCGLUIEXIULJF-MNOVXSKESA-N 2 2 264.329 0.164 20 0 CCADLP Cc1cnc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)c(C[NH3+])c1 ZINC001158260426 801608422 /nfs/dbraw/zinc/60/84/22/801608422.db2.gz DSOOYOFYSPSKSY-CQSZACIVSA-N 3 2 289.427 0.851 20 0 CCADLP Cc1cnc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)c(C[NH3+])c1 ZINC001158260426 801608428 /nfs/dbraw/zinc/60/84/28/801608428.db2.gz DSOOYOFYSPSKSY-CQSZACIVSA-N 3 2 289.427 0.851 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1C[NH+]2CCC1CC2 ZINC001158269371 801610474 /nfs/dbraw/zinc/61/04/74/801610474.db2.gz QCXGLAZNVBUXQZ-GFCCVEGCSA-N 2 2 262.357 0.800 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1C[NH+]2CCC1CC2 ZINC001158269371 801610479 /nfs/dbraw/zinc/61/04/79/801610479.db2.gz QCXGLAZNVBUXQZ-GFCCVEGCSA-N 2 2 262.357 0.800 20 0 CCADLP Cc1[nH]c2c([nH+]1)CCN(C(=O)C[C@@H]1COCC[NH2+]1)CC2 ZINC001158348066 801623797 /nfs/dbraw/zinc/62/37/97/801623797.db2.gz PIKQCXQVMSJCSW-LLVKDONJSA-N 2 2 278.356 0.024 20 0 CCADLP C[C@@H]1C[NH+](C2CN(c3cc(N)cc[nH+]3)C2)C[C@@H](C)O1 ZINC001158715196 801693069 /nfs/dbraw/zinc/69/30/69/801693069.db2.gz BSQWPNJOFUICDP-GHMZBOCLSA-N 2 2 262.357 0.962 20 0 CCADLP Cc1nc(N(C)C)nc(N[C@H](C)[C@@H]2C[NH2+]CCO2)[nH+]1 ZINC001159496448 801823443 /nfs/dbraw/zinc/82/34/43/801823443.db2.gz DEYPWOHNYGMNDH-SCZZXKLOSA-N 2 2 266.349 0.035 20 0 CCADLP Cn1ccc(C[NH2+]CCCNC(=O)CCc2c[nH]c[nH+]2)n1 ZINC001159536912 801831883 /nfs/dbraw/zinc/83/18/83/801831883.db2.gz DBHZYLXMRPWYBO-UHFFFAOYSA-N 2 2 290.371 0.372 20 0 CCADLP COC[C@H](C)[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159540577 801832557 /nfs/dbraw/zinc/83/25/57/801832557.db2.gz RYIJVGYTHIQBCI-NSHDSACASA-N 2 2 268.361 0.473 20 0 CCADLP COC[C@H](C)[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159540577 801832565 /nfs/dbraw/zinc/83/25/65/801832565.db2.gz RYIJVGYTHIQBCI-NSHDSACASA-N 2 2 268.361 0.473 20 0 CCADLP CC[C@@]([NH3+])(CO)Nc1cc(N2CCCC2)[nH+]c(C)n1 ZINC001159739152 801856325 /nfs/dbraw/zinc/85/63/25/801856325.db2.gz BINQFRZMEIPUGB-ZDUSSCGKSA-N 2 2 265.361 0.854 20 0 CCADLP C[C@@H]([NH3+])CCNc1cc(N2CCC[C@H]2C(N)=O)nc[nH+]1 ZINC001159779123 801866603 /nfs/dbraw/zinc/86/66/03/801866603.db2.gz STDRYDPCQBIVDH-ZJUUUORDSA-N 2 2 278.360 0.080 20 0 CCADLP C[C@@H]([NH3+])CCNc1cc(N2CCC[C@H]2C(N)=O)[nH+]cn1 ZINC001159779123 801866609 /nfs/dbraw/zinc/86/66/09/801866609.db2.gz STDRYDPCQBIVDH-ZJUUUORDSA-N 2 2 278.360 0.080 20 0 CCADLP C[C@@H]([NH3+])CCNc1cc(N2CCC[C@@H]2C(N)=O)nc[nH+]1 ZINC001159779117 801867114 /nfs/dbraw/zinc/86/71/14/801867114.db2.gz STDRYDPCQBIVDH-NXEZZACHSA-N 2 2 278.360 0.080 20 0 CCADLP C[C@@H]([NH3+])CCNc1cc(N2CCC[C@@H]2C(N)=O)[nH+]cn1 ZINC001159779117 801867121 /nfs/dbraw/zinc/86/71/21/801867121.db2.gz STDRYDPCQBIVDH-NXEZZACHSA-N 2 2 278.360 0.080 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(Oc2ccccc2)C1 ZINC001160500875 801952158 /nfs/dbraw/zinc/95/21/58/801952158.db2.gz WQRXBZSVBFKZHD-AWEZNQCLSA-N 2 2 286.335 0.569 20 0 CCADLP CC[NH+]1CCC(N(C)C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)CC1 ZINC001160537186 801965222 /nfs/dbraw/zinc/96/52/22/801965222.db2.gz IBCDMDZJUYCSBV-AWEZNQCLSA-N 3 2 293.415 0.233 20 0 CCADLP CN(CC1(C)COC1)C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001160549270 801968623 /nfs/dbraw/zinc/96/86/23/801968623.db2.gz OOYKFHNWBHYLOY-CYBMUJFWSA-N 2 2 277.368 0.754 20 0 CCADLP COc1ccc([C@@H](C)N(C)C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc1 ZINC001160686032 801999614 /nfs/dbraw/zinc/99/96/14/801999614.db2.gz MGWNKBMOWZXKMD-SWHYSGLUSA-N 2 2 277.368 0.761 20 0 CCADLP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001160692568 802003499 /nfs/dbraw/zinc/00/34/99/802003499.db2.gz CNPQVHKNVBHLBB-NLQQUQSOSA-N 2 2 298.412 0.212 20 0 CCADLP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001160727104 802012632 /nfs/dbraw/zinc/01/26/32/802012632.db2.gz ZNISJVRKHPEQFZ-ZDUSSCGKSA-N 3 2 279.388 0.503 20 0 CCADLP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001160846671 802028677 /nfs/dbraw/zinc/02/86/77/802028677.db2.gz VWNRNWOBCFTPBY-ZDUSSCGKSA-N 3 2 293.415 0.833 20 0 CCADLP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001160846671 802028684 /nfs/dbraw/zinc/02/86/84/802028684.db2.gz VWNRNWOBCFTPBY-ZDUSSCGKSA-N 3 2 293.415 0.833 20 0 CCADLP C[C@@H]([NH2+]CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)C(N)=O ZINC001160991174 802058386 /nfs/dbraw/zinc/05/83/86/802058386.db2.gz OCTNNJMFKCDZSW-SECBINFHSA-N 2 2 289.339 0.146 20 0 CCADLP O=C1C[NH2+]CCN1CCNc1[nH+]ccc2c3c([nH]c21)CCC3 ZINC001161024634 802068957 /nfs/dbraw/zinc/06/89/57/802068957.db2.gz GOKBUFITIGITKP-UHFFFAOYSA-N 2 2 299.378 0.895 20 0 CCADLP CCC[NH2+]CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001161324475 802126950 /nfs/dbraw/zinc/12/69/50/802126950.db2.gz WACHFODPLMZECZ-LBPRGKRZSA-N 2 2 264.373 0.951 20 0 CCADLP CCN(C(=O)[C@H]1C[NH2+]CC(F)(F)C1)[C@H]1CCC[NH2+]C1 ZINC001161329883 802128676 /nfs/dbraw/zinc/12/86/76/802128676.db2.gz DIBHZLDQJFJVFW-MNOVXSKESA-N 2 2 275.343 0.832 20 0 CCADLP [NH3+][C@H](C(=O)N1CC[N@@H+]2CC[C@@H]2C1)c1ccsc1 ZINC001161421617 802153039 /nfs/dbraw/zinc/15/30/39/802153039.db2.gz SIEBWAHHLNIFEW-MNOVXSKESA-N 2 2 251.355 0.664 20 0 CCADLP [NH3+][C@H](C(=O)N1CC[N@H+]2CC[C@@H]2C1)c1ccsc1 ZINC001161421617 802153040 /nfs/dbraw/zinc/15/30/40/802153040.db2.gz SIEBWAHHLNIFEW-MNOVXSKESA-N 2 2 251.355 0.664 20 0 CCADLP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001161471218 802159632 /nfs/dbraw/zinc/15/96/32/802159632.db2.gz NJJIJZHVALCJBD-XQHKEYJVSA-N 2 2 299.365 0.784 20 0 CCADLP C[N@@H+]1CCO[C@H](CNc2cc(O[C@H]3CCOC3)cc[nH+]2)C1 ZINC001162693158 802399414 /nfs/dbraw/zinc/39/94/14/802399414.db2.gz BJVCKCBIVINAAV-UONOGXRCSA-N 2 2 293.367 0.992 20 0 CCADLP C[N@H+]1CCO[C@H](CNc2cc(O[C@H]3CCOC3)cc[nH+]2)C1 ZINC001162693158 802399422 /nfs/dbraw/zinc/39/94/22/802399422.db2.gz BJVCKCBIVINAAV-UONOGXRCSA-N 2 2 293.367 0.992 20 0 CCADLP C[N@@H+]1CCO[C@H](CNc2cc(O[C@@H]3CCOC3)cc[nH+]2)C1 ZINC001162693159 802400185 /nfs/dbraw/zinc/40/01/85/802400185.db2.gz BJVCKCBIVINAAV-ZIAGYGMSSA-N 2 2 293.367 0.992 20 0 CCADLP C[N@H+]1CCO[C@H](CNc2cc(O[C@@H]3CCOC3)cc[nH+]2)C1 ZINC001162693159 802400192 /nfs/dbraw/zinc/40/01/92/802400192.db2.gz BJVCKCBIVINAAV-ZIAGYGMSSA-N 2 2 293.367 0.992 20 0 CCADLP [NH3+][C@H]1COC[C@H]1Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC001162920215 802436889 /nfs/dbraw/zinc/43/68/89/802436889.db2.gz TUCIJQNMNKIVTJ-NWDGAFQWSA-N 2 2 259.313 0.464 20 0 CCADLP O=C1NC[C@@H](CNc2ccc(N3CC[NH2+]CC3)c[nH+]2)O1 ZINC001163020263 802461595 /nfs/dbraw/zinc/46/15/95/802461595.db2.gz ZUFAZHZILBBSCM-LLVKDONJSA-N 2 2 277.328 0.012 20 0 CCADLP Fc1c[nH]c2nc[nH+]c(N[C@@H]3COCCC34C[NH2+]C4)c12 ZINC001163064813 802470626 /nfs/dbraw/zinc/47/06/26/802470626.db2.gz IEUSKSPRMZMCNS-SECBINFHSA-N 2 2 277.303 0.887 20 0 CCADLP CCN(C)c1cc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)[nH+]cn1 ZINC001163102652 802483502 /nfs/dbraw/zinc/48/35/02/802483502.db2.gz YIDPMISOVORVNS-IJLUTSLNSA-N 2 2 277.372 0.579 20 0 CCADLP CCN(C)c1cc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)nc[nH+]1 ZINC001163102652 802483508 /nfs/dbraw/zinc/48/35/08/802483508.db2.gz YIDPMISOVORVNS-IJLUTSLNSA-N 2 2 277.372 0.579 20 0 CCADLP COCCC[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163593962 802574822 /nfs/dbraw/zinc/57/48/22/802574822.db2.gz OVLWICJGXCMHKF-UHFFFAOYSA-N 2 2 268.361 0.406 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Nc2cnc3c(c2)C[NH2+]CC3)C[NH2+]1 ZINC001164308668 802716757 /nfs/dbraw/zinc/71/67/57/802716757.db2.gz PHVFMEZGFPJVGP-AAEUAGOBSA-N 2 2 276.340 0.043 20 0 CCADLP CCc1nc(N2CC(=O)NC3(CC[NH2+]CC3)C2)cc(C)[nH+]1 ZINC001165255508 802806269 /nfs/dbraw/zinc/80/62/69/802806269.db2.gz UEVDBNYWFVIKAJ-UHFFFAOYSA-N 2 2 289.383 0.406 20 0 CCADLP Cc1cc(N2CCOCC23C[NH2+]C3)nc(C2CC2)[nH+]1 ZINC001165287481 802815406 /nfs/dbraw/zinc/81/54/06/802815406.db2.gz ZTMNOROTTGCIPG-UHFFFAOYSA-N 2 2 260.341 0.841 20 0 CCADLP Cc1nc(-n2cncn2)cc(N2CCC([NH3+])CC2)[nH+]1 ZINC001166666424 802934529 /nfs/dbraw/zinc/93/45/29/802934529.db2.gz YAKKUAPMSXHDLR-UHFFFAOYSA-N 2 2 259.317 0.293 20 0 CCADLP C[C@@H](O)C[NH2+]C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001204068576 803062665 /nfs/dbraw/zinc/06/26/65/803062665.db2.gz HXCAHNTWHQEITM-CYBMUJFWSA-N 2 2 294.399 0.625 20 0 CCADLP Cc1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)N(CC[NH+](C)C)C3)n(C)n1 ZINC001276463098 803082880 /nfs/dbraw/zinc/08/28/80/803082880.db2.gz ACXBSTRODCFBDM-ZBFHGGJFSA-N 2 2 291.443 0.796 20 0 CCADLP Cc1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N(CC[NH+](C)C)C3)n(C)n1 ZINC001276463098 803082887 /nfs/dbraw/zinc/08/28/87/803082887.db2.gz ACXBSTRODCFBDM-ZBFHGGJFSA-N 2 2 291.443 0.796 20 0 CCADLP CCn1ccnc1C[N@@H+]1C[C@@H]2CCN(CC[NH+](C)C)[C@@H]2C1 ZINC001276463103 803083130 /nfs/dbraw/zinc/08/31/30/803083130.db2.gz ALMGBWYJRBEOMC-LSDHHAIUSA-N 2 2 291.443 0.971 20 0 CCADLP CCn1ccnc1C[N@H+]1C[C@@H]2CCN(CC[NH+](C)C)[C@@H]2C1 ZINC001276463103 803083137 /nfs/dbraw/zinc/08/31/37/803083137.db2.gz ALMGBWYJRBEOMC-LSDHHAIUSA-N 2 2 291.443 0.971 20 0 CCADLP COc1cc(CN2C[C@@H]([NH3+])[C@H](O)C2)ccc1-n1cc[nH+]c1 ZINC001205363232 803137213 /nfs/dbraw/zinc/13/72/13/803137213.db2.gz HVYPIHUGXQPQRS-TZMCWYRMSA-N 2 2 288.351 0.385 20 0 CCADLP C[C@H]1CC[N@H+](Cc2cnc3n2CC[NH2+]C3)CC[C@H]1C[NH3+] ZINC001205651508 803152442 /nfs/dbraw/zinc/15/24/42/803152442.db2.gz FXWGEPVXLACXTO-STQMWFEESA-N 3 2 277.416 0.793 20 0 CCADLP C[C@H]1CC[N@@H+](Cc2cnc3n2CC[NH2+]C3)CC[C@H]1C[NH3+] ZINC001205651508 803152444 /nfs/dbraw/zinc/15/24/44/803152444.db2.gz FXWGEPVXLACXTO-STQMWFEESA-N 3 2 277.416 0.793 20 0 CCADLP CC1(C[NH3+])C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001206723684 803282443 /nfs/dbraw/zinc/28/24/43/803282443.db2.gz SGWGOAJFXZXNAD-UHFFFAOYSA-N 2 2 258.329 0.647 20 0 CCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2C[C@H]1CCC[NH+](C)C1 ZINC001276498702 803294994 /nfs/dbraw/zinc/29/49/94/803294994.db2.gz ZBMOWAGPLOBRGL-HRCADAONSA-N 3 2 280.460 0.648 20 0 CCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2C[C@H]1CCC[NH+](C)C1 ZINC001276498702 803294999 /nfs/dbraw/zinc/29/49/99/803294999.db2.gz ZBMOWAGPLOBRGL-HRCADAONSA-N 3 2 280.460 0.648 20 0 CCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[NH+]2C[C@H]1CCC[N@H+](C)C1 ZINC001276498702 803295001 /nfs/dbraw/zinc/29/50/01/803295001.db2.gz ZBMOWAGPLOBRGL-HRCADAONSA-N 3 2 280.460 0.648 20 0 CCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[NH+]2C[C@H]1CCC[N@@H+](C)C1 ZINC001276498702 803295007 /nfs/dbraw/zinc/29/50/07/803295007.db2.gz ZBMOWAGPLOBRGL-HRCADAONSA-N 3 2 280.460 0.648 20 0 CCADLP COCCC[NH2+][C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001207925001 803467898 /nfs/dbraw/zinc/46/78/98/803467898.db2.gz VCAFNPXSSXAZQH-CYBMUJFWSA-N 2 2 294.399 0.959 20 0 CCADLP C[NH+](C)CC1(C[N@@H+]2CCN3C(=O)COC[C@H]3C2)CCCC1 ZINC001208186186 803497388 /nfs/dbraw/zinc/49/73/88/803497388.db2.gz OHXDGTJWCRLPPQ-CQSZACIVSA-N 2 2 295.427 0.651 20 0 CCADLP C[NH+](C)CC1(C[N@H+]2CCN3C(=O)COC[C@H]3C2)CCCC1 ZINC001208186186 803497391 /nfs/dbraw/zinc/49/73/91/803497391.db2.gz OHXDGTJWCRLPPQ-CQSZACIVSA-N 2 2 295.427 0.651 20 0 CCADLP C[N@H+]1CC=C(Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC001208794642 803547261 /nfs/dbraw/zinc/54/72/61/803547261.db2.gz QUAWEIBKYDUBGV-UHFFFAOYSA-N 2 2 291.399 0.847 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001209291786 803588086 /nfs/dbraw/zinc/58/80/86/803588086.db2.gz GFLNLMOQVOGDJK-CQSZACIVSA-N 2 2 253.390 0.489 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001209291786 803588088 /nfs/dbraw/zinc/58/80/88/803588088.db2.gz GFLNLMOQVOGDJK-CQSZACIVSA-N 2 2 253.390 0.489 20 0 CCADLP [NH3+][C@@H]1NC(CN2CC[NH2+][C@@H](Cc3ccccc3)C2)=CS1 ZINC001210265758 803644958 /nfs/dbraw/zinc/64/49/58/803644958.db2.gz ANPKITRLTPEHBK-DZGCQCFKSA-N 2 2 290.436 0.923 20 0 CCADLP COCCC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001210666972 803656909 /nfs/dbraw/zinc/65/69/09/803656909.db2.gz BSNWYBUJJLGQRA-CYBMUJFWSA-N 2 2 294.399 0.580 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001210667555 803657112 /nfs/dbraw/zinc/65/71/12/803657112.db2.gz HAFRVWFZXKGTQT-QWHCGFSZSA-N 2 2 294.399 0.578 20 0 CCADLP CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001211452519 803681472 /nfs/dbraw/zinc/68/14/72/803681472.db2.gz ZOFUUACACFPEFR-CHWSQXEVSA-N 2 2 280.372 0.356 20 0 CCADLP CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001211452519 803681475 /nfs/dbraw/zinc/68/14/75/803681475.db2.gz ZOFUUACACFPEFR-CHWSQXEVSA-N 2 2 280.372 0.356 20 0 CCADLP COCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215680554 803823509 /nfs/dbraw/zinc/82/35/09/803823509.db2.gz BKQZPCBEDMPPBS-ZYHUDNBSSA-N 2 2 266.345 0.035 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001216565882 803845342 /nfs/dbraw/zinc/84/53/42/803845342.db2.gz PGFYZRLBTNTSHU-JTNHKYCSSA-N 2 2 294.399 0.732 20 0 CCADLP CC[C@H](C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C)OC ZINC001217006062 803862883 /nfs/dbraw/zinc/86/28/83/803862883.db2.gz RXUFXWXVKOLHTK-MGPQQGTHSA-N 2 2 294.399 0.745 20 0 CCADLP COc1ccc(Cc2nnc([C@H]3C[NH2+]C[C@@H]3[NH3+])o2)cc1 ZINC001217745966 803910812 /nfs/dbraw/zinc/91/08/12/803910812.db2.gz ZQQAWSOGLLKKRR-RYUDHWBXSA-N 2 2 274.324 0.683 20 0 CCADLP CC(=O)OC[C@H]([NH3+])C(=O)Nc1cccc2[nH+]ccn21 ZINC001218497486 803963779 /nfs/dbraw/zinc/96/37/79/803963779.db2.gz MUPSKDLHHXXJQD-VIFPVBQESA-N 2 2 262.269 0.163 20 0 CCADLP CCc1cc(C(=O)OC)c(NC(=O)[C@@H]([NH3+])CC[NH3+])s1 ZINC001218547620 804000406 /nfs/dbraw/zinc/00/04/06/804000406.db2.gz MWCQZWWOQOGQLZ-VIFPVBQESA-N 2 2 285.369 0.712 20 0 CCADLP CCOc1ncc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc1F ZINC001218601244 804029851 /nfs/dbraw/zinc/02/98/51/804029851.db2.gz XRPUSGKYAIBXNJ-VIFPVBQESA-N 2 2 256.281 0.234 20 0 CCADLP O=C(Nc1cc[nH+]c2c1CCC2)C1CC2(C[NH2+]C2)C1 ZINC001218619512 804037614 /nfs/dbraw/zinc/03/76/14/804037614.db2.gz BTGUZFHZLIMFQY-UHFFFAOYSA-N 2 2 257.337 0.930 20 0 CCADLP CCOC(=O)c1cc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cnc1C ZINC001218637066 804050690 /nfs/dbraw/zinc/05/06/90/804050690.db2.gz PNIDERLQDKXYTD-RYUDHWBXSA-N 2 2 292.339 0.052 20 0 CCADLP Cc1ncnc(C)c1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218639188 804053327 /nfs/dbraw/zinc/05/33/27/804053327.db2.gz YKQMBZSGVYYRKN-JTQLQIEISA-N 2 2 260.301 0.325 20 0 CCADLP CCc1ccc(NC(=O)C[NH2+]C2CC[NH2+]CC2)cn1 ZINC001218652983 804064464 /nfs/dbraw/zinc/06/44/64/804064464.db2.gz UDIQBYHQPLXESY-UHFFFAOYSA-N 2 2 262.357 0.924 20 0 CCADLP CCOC(=O)c1c(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])ccn1CC ZINC001218717370 804094921 /nfs/dbraw/zinc/09/49/21/804094921.db2.gz CYWQQWJOTCQTRZ-UWVGGRQHSA-N 2 2 294.355 0.170 20 0 CCADLP O=C(Nc1ccnn1-c1cc[nH+]cc1)[C@@H]1COC[NH2+]1 ZINC001218740764 804101808 /nfs/dbraw/zinc/10/18/08/804101808.db2.gz FLYQOLJSHIEVBE-JTQLQIEISA-N 2 2 259.269 0.152 20 0 CCADLP CC(C)Cn1cnc(NC(=O)C2([NH3+])CC[NH2+]CC2)c1 ZINC001218748146 804108159 /nfs/dbraw/zinc/10/81/59/804108159.db2.gz LBPBMTXLXYZQHN-UHFFFAOYSA-N 2 2 265.361 0.559 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1nc(F)c(F)c(Cl)c1F ZINC001218755952 804111091 /nfs/dbraw/zinc/11/10/91/804111091.db2.gz DALUREPVFLBKLD-IMJSIDKUSA-N 2 2 294.664 0.638 20 0 CCADLP Cc1ccccc1-c1cc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])n(C)n1 ZINC001218770173 804116645 /nfs/dbraw/zinc/11/66/45/804116645.db2.gz XHUNRINRNCRNJN-STQMWFEESA-N 2 2 299.378 0.881 20 0 CCADLP Cc1nc2c(NC(=O)[C@@H]([NH3+])CC[NH3+])cccn2c1C ZINC001218772572 804117412 /nfs/dbraw/zinc/11/74/12/804117412.db2.gz HPCUGGXSYGKDPJ-JTQLQIEISA-N 2 2 261.329 0.566 20 0 CCADLP [NH3+]C1(C(=O)Nc2ccc3[nH][nH]c(=O)c3c2)CC[NH2+]CC1 ZINC001218878845 804145623 /nfs/dbraw/zinc/14/56/23/804145623.db2.gz IJIYAWSNLQKFMU-UHFFFAOYSA-N 2 2 275.312 0.288 20 0 CCADLP Nc1cccc(Cl)c1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218908364 804152759 /nfs/dbraw/zinc/15/27/59/804152759.db2.gz DDXSQLJTSVCSBW-RCOVLWMOSA-N 2 2 254.721 0.407 20 0 CCADLP [NH3+]C1(C(=O)Nc2ccc(C3=NCCO3)cc2)CC[NH2+]CC1 ZINC001218929685 804160052 /nfs/dbraw/zinc/16/00/52/804160052.db2.gz URRNKWTXLJBABB-UHFFFAOYSA-N 2 2 288.351 0.483 20 0 CCADLP O=C(Nc1ccc([C@H]2CC[NH2+]C2)cc1)[C@@H]1COCC[NH2+]1 ZINC001218997150 804180728 /nfs/dbraw/zinc/18/07/28/804180728.db2.gz SLSKWJFONVWRRP-JSGCOSHPSA-N 2 2 275.352 0.690 20 0 CCADLP COC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC001219022192 804184227 /nfs/dbraw/zinc/18/42/27/804184227.db2.gz DRFRHQZCHVIXTG-ZDUSSCGKSA-N 2 2 293.367 0.620 20 0 CCADLP Cc1c(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])ccc2c1OCCO2 ZINC001219498268 804332071 /nfs/dbraw/zinc/33/20/71/804332071.db2.gz UAHKVUMMEKVLFG-UWVGGRQHSA-N 2 2 277.324 0.251 20 0 CCADLP CC(C)CC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219553266 804344790 /nfs/dbraw/zinc/34/47/90/804344790.db2.gz WUCQDEHQENYWSY-OLZOCXBDSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)CC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219553266 804344798 /nfs/dbraw/zinc/34/47/98/804344798.db2.gz WUCQDEHQENYWSY-OLZOCXBDSA-N 2 2 294.399 0.550 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H](O)c2ccco2)cc1 ZINC001219603644 804370054 /nfs/dbraw/zinc/37/00/54/804370054.db2.gz BLLAOBCINPOVTJ-CHWSQXEVSA-N 2 2 289.335 0.702 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC(C)(C)C1CC1 ZINC001219671923 804400293 /nfs/dbraw/zinc/40/02/93/804400293.db2.gz VZHSDTQBXVRVMQ-NSHDSACASA-N 2 2 250.346 0.595 20 0 CCADLP Cc1cc(C)c(CNC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)c(=O)[nH]1 ZINC001219689606 804405168 /nfs/dbraw/zinc/40/51/68/804405168.db2.gz ZZADRKIRMNNNNU-GFCCVEGCSA-N 2 2 289.339 0.313 20 0 CCADLP CCCCC[C@H]([NH2+]C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC001219694296 804406216 /nfs/dbraw/zinc/40/62/16/804406216.db2.gz ISGLRYMWQXKGAH-OLZOCXBDSA-N 2 2 271.405 0.602 20 0 CCADLP CCCCC[C@H]([NH2+]C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC001219694296 804406220 /nfs/dbraw/zinc/40/62/20/804406220.db2.gz ISGLRYMWQXKGAH-OLZOCXBDSA-N 2 2 271.405 0.602 20 0 CCADLP O=C(NCc1ccc2c(c1)CC[NH2+]C2)C1(F)C[NH2+]C1 ZINC001219703352 804409727 /nfs/dbraw/zinc/40/97/27/804409727.db2.gz GXCSGLFVZQJNBV-UHFFFAOYSA-N 2 2 263.316 0.260 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001219915970 804446353 /nfs/dbraw/zinc/44/63/53/804446353.db2.gz GDSIQOQFCLFEIR-ZWNOBZJWSA-N 3 2 264.373 0.325 20 0 CCADLP CNc1ccc(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)cc1 ZINC001219954308 804457728 /nfs/dbraw/zinc/45/77/28/804457728.db2.gz GBITWECKLHNIMZ-ZDUSSCGKSA-N 2 2 273.340 0.638 20 0 CCADLP O=C(NCCCc1ccncc1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219980762 804465170 /nfs/dbraw/zinc/46/51/70/804465170.db2.gz OTCQZSNNBGWSON-UKRRQHHQSA-N 2 2 274.368 0.082 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc2c(c1)CCO2 ZINC001220067485 804493764 /nfs/dbraw/zinc/49/37/64/804493764.db2.gz MUUPLDBHCPLGOQ-CYBMUJFWSA-N 2 2 286.335 0.531 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NCC2(F)CCOCC2)cc1 ZINC001220136958 804509815 /nfs/dbraw/zinc/50/98/15/804509815.db2.gz MFZVHOKKMMXVFG-CYBMUJFWSA-N 2 2 295.358 0.894 20 0 CCADLP C[C@H]1CC[NH2+][C@@H](C(=O)NCC2([NH+]3CCCC3)COC2)C1 ZINC001220197851 804534189 /nfs/dbraw/zinc/53/41/89/804534189.db2.gz UGPHJSLZJVEDMC-QWHCGFSZSA-N 2 2 281.400 0.356 20 0 CCADLP O=C(N[C@@H]1CCCc2cccnc21)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220226770 804543154 /nfs/dbraw/zinc/54/31/54/804543154.db2.gz YKSDZUHJEBVRRJ-RFQIPJPRSA-N 2 2 286.379 0.525 20 0 CCADLP C[C@@H](CCCC(C)(C)O)NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220242621 804546684 /nfs/dbraw/zinc/54/66/84/804546684.db2.gz GHJGGSOIFPFPGL-NSHDSACASA-N 2 2 271.405 0.513 20 0 CCADLP C[C@H](CCCC(C)(C)O)NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220242589 804546904 /nfs/dbraw/zinc/54/69/04/804546904.db2.gz DYGIINJWEUAWJL-PWSUYJOCSA-N 2 2 282.388 0.725 20 0 CCADLP O=C(NCCC1=CCCCC1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220254194 804552492 /nfs/dbraw/zinc/55/24/92/804552492.db2.gz MLGYVNFWWQIMRX-MELADBBJSA-N 2 2 263.385 0.943 20 0 CCADLP Cc1[nH+]c[nH]c1CSCCNC(=O)[C@]1(N)CCC[NH2+]C1 ZINC001220256960 804553919 /nfs/dbraw/zinc/55/39/19/804553919.db2.gz KAFGAKYZLUHDQK-ZDUSSCGKSA-N 2 2 297.428 0.148 20 0 CCADLP Cc1cccn2cc(CNC(=O)[C@@]34C[NH2+]C[C@H]3CC[NH2+]4)nc12 ZINC001220278098 804559862 /nfs/dbraw/zinc/55/98/62/804559862.db2.gz CLUVKCHKFWTRLN-MLGOLLRUSA-N 2 2 299.378 0.210 20 0 CCADLP [NH3+]C1(C(=O)N[C@H]2CCCC(F)(F)C2)CC[NH2+]CC1 ZINC001220309013 804569891 /nfs/dbraw/zinc/56/98/91/804569891.db2.gz SIPCUDOEHJLSKO-VIFPVBQESA-N 2 2 261.316 0.761 20 0 CCADLP O=C(NCc1cc[nH]c1)[C@@H]1CCC[N@@H+]([C@H]2CC[NH2+]C2)C1 ZINC001220386321 804591048 /nfs/dbraw/zinc/59/10/48/804591048.db2.gz PACGUEQSSYDNRO-KGLIPLIRSA-N 2 2 276.384 0.705 20 0 CCADLP O=C(NCc1cc[nH]c1)[C@@H]1CCC[N@H+]([C@H]2CC[NH2+]C2)C1 ZINC001220386321 804591052 /nfs/dbraw/zinc/59/10/52/804591052.db2.gz PACGUEQSSYDNRO-KGLIPLIRSA-N 2 2 276.384 0.705 20 0 CCADLP CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001220520379 804617794 /nfs/dbraw/zinc/61/77/94/804617794.db2.gz STMZPZZUMOQAGJ-RTXFEEFZSA-N 2 2 280.372 0.160 20 0 CCADLP CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001220520379 804617802 /nfs/dbraw/zinc/61/78/02/804617802.db2.gz STMZPZZUMOQAGJ-RTXFEEFZSA-N 2 2 280.372 0.160 20 0 CCADLP O=C(NCC(F)(F)c1ccccn1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220569372 804626127 /nfs/dbraw/zinc/62/61/27/804626127.db2.gz JZEJSCPXLFDWIL-ZWNOBZJWSA-N 2 2 296.321 0.241 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CNc2ccccc2C1 ZINC001220598833 804636163 /nfs/dbraw/zinc/63/61/63/804636163.db2.gz FBSQDSRRNCZNGX-CHWSQXEVSA-N 2 2 285.351 0.433 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@@H]2COCc3ccccc32)C1 ZINC001220657612 804644276 /nfs/dbraw/zinc/64/42/76/804644276.db2.gz IGYLLPYPQRUQEN-KGYLQXTDSA-N 2 2 261.325 0.063 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C1CCC(C[NH3+])CC1 ZINC001220725804 804656815 /nfs/dbraw/zinc/65/68/15/804656815.db2.gz YNZLFPJRGWJCOE-IYXRBSQSSA-N 2 2 283.416 0.588 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C1CCC(C[NH3+])CC1 ZINC001220725804 804656817 /nfs/dbraw/zinc/65/68/17/804656817.db2.gz YNZLFPJRGWJCOE-IYXRBSQSSA-N 2 2 283.416 0.588 20 0 CCADLP O=C(NCCc1c[nH]c2cc[nH+]cc12)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220866383 804683685 /nfs/dbraw/zinc/68/36/85/804683685.db2.gz XHEMJVQJSCNESH-BLLLJJGKSA-N 3 2 299.378 0.173 20 0 CCADLP Cc1cc2c(cn1)[C@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)CC2 ZINC001220960365 804709430 /nfs/dbraw/zinc/70/94/30/804709430.db2.gz MPJMRPKSOMLORD-RTXFEEFZSA-N 2 2 260.341 0.183 20 0 CCADLP COc1ncccc1[C@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C1CC1 ZINC001221022285 804721991 /nfs/dbraw/zinc/72/19/91/804721991.db2.gz WPCCRCMLBZGKOM-KGYLQXTDSA-N 2 2 290.367 0.347 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@H](c2ncccc2F)C2CC2)C1 ZINC001221218826 804748955 /nfs/dbraw/zinc/74/89/55/804748955.db2.gz GVJAAWHSBXICJH-USWWRNFRSA-N 2 2 278.331 0.477 20 0 CCADLP Cn1ncc2c1cccc2CNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221306530 804772476 /nfs/dbraw/zinc/77/24/76/804772476.db2.gz SSEPEVMTKHVFQH-WBMJQRKESA-N 2 2 299.378 0.141 20 0 CCADLP Cc1ncsc1CCNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221327745 804776924 /nfs/dbraw/zinc/77/69/24/804776924.db2.gz DFFLBDRZSHWCEY-MFKMUULPSA-N 2 2 280.397 0.062 20 0 CCADLP CC(C)(C)[C@H](C[NH+]1CCOCC1)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC001221357393 804787401 /nfs/dbraw/zinc/78/74/01/804787401.db2.gz IMLPISFXHVFAHB-XJKSGUPXSA-N 2 2 297.443 0.992 20 0 CCADLP COC(=O)C12CCC(NC(=O)C3([NH3+])CC[NH2+]CC3)(CC1)C2 ZINC001221365788 804788656 /nfs/dbraw/zinc/78/86/56/804788656.db2.gz IEQQCDYUDAIOJO-UHFFFAOYSA-N 2 2 295.383 0.059 20 0 CCADLP CCCC(C[NH3+])(CCC)NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221371671 804791536 /nfs/dbraw/zinc/79/15/36/804791536.db2.gz HLTDPYVCNRECBY-IUODEOHRSA-N 3 2 282.432 0.352 20 0 CCADLP O=C(NCCOc1cc[nH+]cc1)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001221393646 804799017 /nfs/dbraw/zinc/79/90/17/804799017.db2.gz KSGGTVWIRGYWNP-FPMFFAJLSA-N 2 2 291.351 0.344 20 0 CCADLP C[NH+](C)CC1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001221402270 804803517 /nfs/dbraw/zinc/80/35/17/804803517.db2.gz BRBDWGQBVQARKB-MFQJDOPTSA-N 3 2 294.443 0.175 20 0 CCADLP [NH3+]C1(C(=O)NCc2ccc(-c3c[nH]cn3)cc2)CC[NH2+]CC1 ZINC001221397207 804804209 /nfs/dbraw/zinc/80/42/09/804804209.db2.gz LMZYKBCDWGISSV-UHFFFAOYSA-N 2 2 299.378 0.774 20 0 CCADLP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@@H]1C[NH2+]CC(F)(F)C1 ZINC001221409054 804811280 /nfs/dbraw/zinc/81/12/80/804811280.db2.gz MAFACVGOVGCXDL-CMPLNLGQSA-N 2 2 287.354 0.736 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222099173 804868527 /nfs/dbraw/zinc/86/85/27/804868527.db2.gz UHUQLUQMRFODJB-OLZOCXBDSA-N 2 2 280.372 0.499 20 0 CCADLP Oc1cnccc1CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222502178 804907425 /nfs/dbraw/zinc/90/74/25/804907425.db2.gz FHIXBIANESPIID-STQMWFEESA-N 2 2 262.357 0.313 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)NCc1ccc[nH+]c1N ZINC001222640955 804921948 /nfs/dbraw/zinc/92/19/48/804921948.db2.gz YNQNAFNHVSDMHU-UHFFFAOYSA-N 2 2 295.387 0.431 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)NCc1ccc[nH+]c1N ZINC001222640955 804921954 /nfs/dbraw/zinc/92/19/54/804921954.db2.gz YNQNAFNHVSDMHU-UHFFFAOYSA-N 2 2 295.387 0.431 20 0 CCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1cnc(N)s1 ZINC001276850665 804938585 /nfs/dbraw/zinc/93/85/85/804938585.db2.gz RPNZXXIZTGGLDH-PHIMTYICSA-N 2 2 281.429 0.545 20 0 CCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1cnc(N)s1 ZINC001276850665 804938589 /nfs/dbraw/zinc/93/85/89/804938589.db2.gz RPNZXXIZTGGLDH-PHIMTYICSA-N 2 2 281.429 0.545 20 0 CCADLP COC[C@H](C)[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001277183201 805327290 /nfs/dbraw/zinc/32/72/90/805327290.db2.gz JXBHCXZISXZYQC-JTQLQIEISA-N 2 2 266.345 0.226 20 0 CCADLP CO[C@@H](C)C[NH+]1CCC(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001227715339 805384476 /nfs/dbraw/zinc/38/44/76/805384476.db2.gz UXKRUEBRBOCOIC-LBPRGKRZSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@@H](C)C[NH+]1CCC(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001227715339 805384483 /nfs/dbraw/zinc/38/44/83/805384483.db2.gz UXKRUEBRBOCOIC-LBPRGKRZSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H](CC(=O)NC1CC[NH+](C[C@H](C)O)CC1)n1cc[nH+]c1 ZINC001229385280 805529213 /nfs/dbraw/zinc/52/92/13/805529213.db2.gz QJCUEGYEWHTDMX-OLZOCXBDSA-N 2 2 294.399 0.796 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001246016254 807117887 /nfs/dbraw/zinc/11/78/87/807117887.db2.gz JXPRXCVFNJYTBF-HRCADAONSA-N 3 2 277.412 0.731 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001246016254 807117890 /nfs/dbraw/zinc/11/78/90/807117890.db2.gz JXPRXCVFNJYTBF-HRCADAONSA-N 3 2 277.412 0.731 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCF)CN1C(=O)CCc1c[nH+]cn1C ZINC000989736371 815090986 /nfs/dbraw/zinc/09/09/86/815090986.db2.gz NVZFCTDFIHSKMO-VXGBXAGGSA-N 2 2 282.363 0.901 20 0 CCADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1C[C@H](O)COCC(F)(F)C(F)F ZINC001246023042 807122428 /nfs/dbraw/zinc/12/24/28/807122428.db2.gz RWUQRNWZKMTHGL-HRDYMLBCSA-N 2 2 288.285 0.686 20 0 CCADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1C[C@H](O)COCC(F)(F)C(F)F ZINC001246023042 807122432 /nfs/dbraw/zinc/12/24/32/807122432.db2.gz RWUQRNWZKMTHGL-HRDYMLBCSA-N 2 2 288.285 0.686 20 0 CCADLP O[C@H](C[N@@H+]1CCC[C@@]12CCC[NH2+]C2)CC1(O)CC[NH2+]CC1 ZINC001246028666 807125562 /nfs/dbraw/zinc/12/55/62/807125562.db2.gz KBWGSBOHEZIFBZ-LSDHHAIUSA-N 3 2 297.443 0.070 20 0 CCADLP O[C@H](C[N@H+]1CCC[C@@]12CCC[NH2+]C2)CC1(O)CC[NH2+]CC1 ZINC001246028666 807125565 /nfs/dbraw/zinc/12/55/65/807125565.db2.gz KBWGSBOHEZIFBZ-LSDHHAIUSA-N 3 2 297.443 0.070 20 0 CCADLP CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCc2c[nH+]cn2C)C1 ZINC000989735553 815092440 /nfs/dbraw/zinc/09/24/40/815092440.db2.gz CEWLMDLTLNYLJE-NWDGAFQWSA-N 2 2 264.373 0.952 20 0 CCADLP C[C@H]([NH3+])C[N@H+](C)C[C@@H](O)COc1ccc(CCO)cc1 ZINC001246055688 807136496 /nfs/dbraw/zinc/13/64/96/807136496.db2.gz DAXYVVLPYISPNI-GXTWGEPZSA-N 2 2 282.384 0.240 20 0 CCADLP C[C@H]([NH3+])C[N@@H+](C)C[C@@H](O)COc1ccc(CCO)cc1 ZINC001246055688 807136497 /nfs/dbraw/zinc/13/64/97/807136497.db2.gz DAXYVVLPYISPNI-GXTWGEPZSA-N 2 2 282.384 0.240 20 0 CCADLP C[C@H]([NH3+])C[N@H+](C)C[C@H](O)COc1ccc(F)cc1F ZINC001246059194 807137309 /nfs/dbraw/zinc/13/73/09/807137309.db2.gz NAYQOKHDFWIGQP-ONGXEEELSA-N 2 2 274.311 0.984 20 0 CCADLP C[C@H]([NH3+])C[N@@H+](C)C[C@H](O)COc1ccc(F)cc1F ZINC001246059194 807137313 /nfs/dbraw/zinc/13/73/13/807137313.db2.gz NAYQOKHDFWIGQP-ONGXEEELSA-N 2 2 274.311 0.984 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@H]2CC[NH2+]C[C@@H]2F)C[NH2+]1 ZINC001246089217 807149476 /nfs/dbraw/zinc/14/94/76/807149476.db2.gz CBGFDDAWYYKOSD-BJDJZHNGSA-N 2 2 287.379 0.348 20 0 CCADLP F[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001246088687 807150311 /nfs/dbraw/zinc/15/03/11/807150311.db2.gz WSYSPPAQCNEHIB-CVSAEHQPSA-N 3 2 285.407 0.919 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC23CC3)CN1 ZINC001246134675 807162382 /nfs/dbraw/zinc/16/23/82/807162382.db2.gz RPTOYINECNWOGG-SDDRHHMPSA-N 2 2 267.373 0.012 20 0 CCADLP COC(=O)CC[C@H](C)[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246152454 807168947 /nfs/dbraw/zinc/16/89/47/807168947.db2.gz YVDLDYQTDIBQGQ-QWHCGFSZSA-N 3 2 283.416 0.792 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+]CCNC(=O)c2ccncc2)C[NH2+]1 ZINC001246169558 807173673 /nfs/dbraw/zinc/17/36/73/807173673.db2.gz JIHUIYRDNVAXIQ-YPMHNXCESA-N 2 2 262.357 0.542 20 0 CCADLP c1ccc(C[NH2+]CC[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246165341 807173838 /nfs/dbraw/zinc/17/38/38/807173838.db2.gz HFTOVBJWGOYBEX-HNNXBMFYSA-N 3 2 274.412 0.460 20 0 CCADLP COC(=O)[C@H](CC(C)C)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246178818 807178288 /nfs/dbraw/zinc/17/82/88/807178288.db2.gz OIVBVVBUJKCCMP-RYUDHWBXSA-N 2 2 269.389 0.258 20 0 CCADLP COC(=O)[C@@H]1C[C@H](NCC[NH+](C(C)C)C(C)C)C[NH2+]1 ZINC001246186491 807180515 /nfs/dbraw/zinc/18/05/15/807180515.db2.gz XVXNTJNFPUOYOJ-STQMWFEESA-N 2 2 271.405 0.598 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+]CCN2CCC[N@H+](C)CC2)C[NH2+]1 ZINC001246241113 807196510 /nfs/dbraw/zinc/19/65/10/807196510.db2.gz QASZIYSUUWZHSU-KGLIPLIRSA-N 3 2 254.422 0.354 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+]CCN2CCC[N@@H+](C)CC2)C[NH2+]1 ZINC001246241113 807196514 /nfs/dbraw/zinc/19/65/14/807196514.db2.gz QASZIYSUUWZHSU-KGLIPLIRSA-N 3 2 254.422 0.354 20 0 CCADLP COCCn1c[nH+]cc1CN[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246240964 807196762 /nfs/dbraw/zinc/19/67/62/807196762.db2.gz SZUFSLLGRIUCJL-VXGBXAGGSA-N 2 2 252.362 0.760 20 0 CCADLP COC(=O)[C@H]1C[C@H](NC[C@@H]2Cc3ccccc3C[NH2+]2)C[NH2+]1 ZINC001246283531 807206939 /nfs/dbraw/zinc/20/69/39/807206939.db2.gz WQVQFYAXCZJWES-SOUVJXGZSA-N 2 2 289.379 0.194 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](NC[C@H]2Cc3ccccc3C[NH2+]2)C[NH2+]1 ZINC001246283521 807206961 /nfs/dbraw/zinc/20/69/61/807206961.db2.gz WQVQFYAXCZJWES-KFWWJZLASA-N 2 2 289.379 0.194 20 0 CCADLP OC[C@H]1C[NH2+]C[C@H]1[NH2+]C1CCN(c2ccc(F)cc2)CC1 ZINC001246296715 807211718 /nfs/dbraw/zinc/21/17/18/807211718.db2.gz CFCSXHNTOINHQJ-MLGOLLRUSA-N 2 2 293.386 0.964 20 0 CCADLP C[C@H](Cc1ccccc1F)[NH2+][C@H]1C[NH2+]C[C@@H]1CO ZINC001246299918 807213769 /nfs/dbraw/zinc/21/37/69/807213769.db2.gz OEMBLRACEUEQBD-QKCSRTOESA-N 2 2 252.333 0.927 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@@H]1[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC001246304791 807215661 /nfs/dbraw/zinc/21/56/61/807215661.db2.gz IEOBMYVLNKEMQG-UBHSHLNASA-N 2 2 266.772 0.977 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001246312800 807218783 /nfs/dbraw/zinc/21/87/83/807218783.db2.gz YWYXYAQLIJIUNM-AEGPPILISA-N 2 2 264.344 0.853 20 0 CCADLP CC[C@@]1(C(=O)OC)C[C@@H](N[C@H]2C[NH2+]CC[C@@H]2C)C[NH2+]1 ZINC001246324009 807221521 /nfs/dbraw/zinc/22/15/21/807221521.db2.gz DNZZNYFRHRUPDX-OPDFLTKYSA-N 2 2 269.389 0.258 20 0 CCADLP C[C@H]1[NH2+]CCC[C@H]1N[C@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246330885 807223294 /nfs/dbraw/zinc/22/32/94/807223294.db2.gz ZITICUGRGWYORZ-LPWJVIDDSA-N 2 2 283.416 0.789 20 0 CCADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)N(C)C)C2)C[NH2+]1 ZINC001246331359 807223602 /nfs/dbraw/zinc/22/36/02/807223602.db2.gz WBJPOMGNQSXNRE-UPJWGTAASA-N 2 2 268.405 0.863 20 0 CCADLP CC(C)[C@H]([NH3+])CN[C@@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246332899 807225462 /nfs/dbraw/zinc/22/54/62/807225462.db2.gz OBGIQDBSIGZYOW-TUAOUCFPSA-N 2 2 271.405 0.632 20 0 CCADLP O=C(C1CCC1)N1CC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC001246359934 807234155 /nfs/dbraw/zinc/23/41/55/807234155.db2.gz DPENYVOEZYWGTE-OLZOCXBDSA-N 2 2 251.374 0.729 20 0 CCADLP COC(=O)[C@H](CCC[NH3+])[NH2+][C@@H]1CCc2ncsc2C1 ZINC001246418553 807248393 /nfs/dbraw/zinc/24/83/93/807248393.db2.gz RMEQUBSMPOWCRX-KOLCDFICSA-N 2 2 283.397 0.871 20 0 CCADLP C[NH2+][C@H]1C[C@H]([NH2+][C@H]2CN[C@H](C(=O)OC(C)(C)C)C2)C1 ZINC001246459288 807254890 /nfs/dbraw/zinc/25/48/90/807254890.db2.gz DTTSQJNMGSVSPK-KKOKHZNYSA-N 2 2 269.389 0.399 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H](N[C@H]2C[C@H]([NH2+]C)C2)C[NH2+]1 ZINC001246460952 807255098 /nfs/dbraw/zinc/25/50/98/807255098.db2.gz LRJWVSLGIDTZSJ-MRBYEJRBSA-N 2 2 255.362 0.010 20 0 CCADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC1CC[NH2+]CC1 ZINC001246470838 807258559 /nfs/dbraw/zinc/25/85/59/807258559.db2.gz RVCMETRAXNVNKZ-ZDUSSCGKSA-N 2 2 280.372 0.236 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@@H]2C[NH2+]CC[C@@H]2F)C[NH2+]1 ZINC001246479598 807261502 /nfs/dbraw/zinc/26/15/02/807261502.db2.gz DLUBQNXMKMZBQN-FIQHERPVSA-N 2 2 287.379 0.348 20 0 CCADLP CCOC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2CCC[NH2+]C2)cn1 ZINC001246524028 807273229 /nfs/dbraw/zinc/27/32/29/807273229.db2.gz OEPGHVXBAYBAFM-NEPJUHHUSA-N 2 2 266.345 0.241 20 0 CCADLP C[C@@H]1CC([N@@H+]2CCCC[C@](O)(C[NH3+])C2)C[C@@H](C)[NH2+]1 ZINC001246559992 807287326 /nfs/dbraw/zinc/28/73/26/807287326.db2.gz OQZFHFMSDXMSAE-BZPMIXESSA-N 3 2 255.406 0.691 20 0 CCADLP C[C@@H]1CC([N@H+]2CCCC[C@](O)(C[NH3+])C2)C[C@@H](C)[NH2+]1 ZINC001246559992 807287331 /nfs/dbraw/zinc/28/73/31/807287331.db2.gz OQZFHFMSDXMSAE-BZPMIXESSA-N 3 2 255.406 0.691 20 0 CCADLP [NH3+][C@@H]1C[N@@H+](C2CCN(c3ccccc3)CC2)C[C@H]1O ZINC001246560231 807287791 /nfs/dbraw/zinc/28/77/91/807287791.db2.gz VBSCWEHAXAOSDA-HUUCEWRRSA-N 2 2 261.369 0.659 20 0 CCADLP [NH3+][C@@H]1C[N@H+](C2CCN(c3ccccc3)CC2)C[C@H]1O ZINC001246560231 807287796 /nfs/dbraw/zinc/28/77/96/807287796.db2.gz VBSCWEHAXAOSDA-HUUCEWRRSA-N 2 2 261.369 0.659 20 0 CCADLP C[C@@H]1C[N@@H+](C2CCC([NH+]3CCOCC3)CC2)C[C@H]1[NH3+] ZINC001246561204 807291140 /nfs/dbraw/zinc/29/11/40/807291140.db2.gz JGPHHACYEJKFCB-XSCHDIRWSA-N 3 2 267.417 0.909 20 0 CCADLP C[C@@H]1C[N@H+](C2CCC([NH+]3CCOCC3)CC2)C[C@H]1[NH3+] ZINC001246561204 807291145 /nfs/dbraw/zinc/29/11/45/807291145.db2.gz JGPHHACYEJKFCB-XSCHDIRWSA-N 3 2 267.417 0.909 20 0 CCADLP C[C@@H]1CN(C2CCC([NH+]3CCOCC3)CC2)C[C@H]1[NH3+] ZINC001246561204 807291148 /nfs/dbraw/zinc/29/11/48/807291148.db2.gz JGPHHACYEJKFCB-XSCHDIRWSA-N 2 2 267.417 0.909 20 0 CCADLP CC(C)[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@](O)(C[NH3+])C2)CC[NH2+]1 ZINC001246565906 807293309 /nfs/dbraw/zinc/29/33/09/807293309.db2.gz ZWQJLCPPHWSJPT-SOUVJXGZSA-N 3 2 269.433 0.939 20 0 CCADLP CC(C)[C@@H]1C[C@@H]([N@H+]2CCCC[C@@](O)(C[NH3+])C2)CC[NH2+]1 ZINC001246565906 807293317 /nfs/dbraw/zinc/29/33/17/807293317.db2.gz ZWQJLCPPHWSJPT-SOUVJXGZSA-N 3 2 269.433 0.939 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+]([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C[C@H]1O ZINC001246585234 807307118 /nfs/dbraw/zinc/30/71/18/807307118.db2.gz NFVMQQWIBVECOG-VVLHAWIVSA-N 3 2 289.423 0.601 20 0 CCADLP [NH3+]C[C@H]1C[N@H+]([C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C[C@H]1O ZINC001246585234 807307129 /nfs/dbraw/zinc/30/71/29/807307129.db2.gz NFVMQQWIBVECOG-VVLHAWIVSA-N 3 2 289.423 0.601 20 0 CCADLP C[C@]1(C[NH3+])CCCC[N@@H+]([C@@H]2CCS(=O)(=O)C2)C1 ZINC001246588265 807307835 /nfs/dbraw/zinc/30/78/35/807307835.db2.gz YHXKRCXULWSQKY-VXGBXAGGSA-N 2 2 260.403 0.624 20 0 CCADLP C[C@]1(C[NH3+])CCCC[N@H+]([C@@H]2CCS(=O)(=O)C2)C1 ZINC001246588265 807307843 /nfs/dbraw/zinc/30/78/43/807307843.db2.gz YHXKRCXULWSQKY-VXGBXAGGSA-N 2 2 260.403 0.624 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N2CCC[C@@]23CCC[NH2+]CC3)C[NH2+]1 ZINC001246606061 807320025 /nfs/dbraw/zinc/32/00/25/807320025.db2.gz LUPXWOAUONBXEP-KCQAQPDRSA-N 2 2 281.400 0.498 20 0 CCADLP C1[NH2+]CC12C[C@@H]([NH+]1CCC3(CCC[NH2+]3)CC1)CCN2 ZINC001246628476 807332040 /nfs/dbraw/zinc/33/20/40/807332040.db2.gz ZPNQLCWUEYDGFJ-ZDUSSCGKSA-N 3 2 264.417 0.298 20 0 CCADLP CC[C@@H]1C[C@@H]([N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C[C@H](CC)[NH2+]1 ZINC001246646311 807344948 /nfs/dbraw/zinc/34/49/48/807344948.db2.gz XAPUFYVHFMIVHG-QKPAOTATSA-N 3 2 280.460 0.933 20 0 CCADLP CC[C@@H]1C[C@@H]([N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C[C@H](CC)[NH2+]1 ZINC001246646311 807344958 /nfs/dbraw/zinc/34/49/58/807344958.db2.gz XAPUFYVHFMIVHG-QKPAOTATSA-N 3 2 280.460 0.933 20 0 CCADLP CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+]([C@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246711259 807362859 /nfs/dbraw/zinc/36/28/59/807362859.db2.gz SUBHWLOTVFTEED-RMRHIDDWSA-N 2 2 281.400 0.354 20 0 CCADLP CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+]([C@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246711259 807362867 /nfs/dbraw/zinc/36/28/67/807362867.db2.gz SUBHWLOTVFTEED-RMRHIDDWSA-N 2 2 281.400 0.354 20 0 CCADLP C[C@@H]1CC[C@@H](N2CC[NH+](CC(=O)N3CCCC3)CC2)C[NH2+]1 ZINC001246790317 807380293 /nfs/dbraw/zinc/38/02/93/807380293.db2.gz NMQPPDDSMFUDEP-HUUCEWRRSA-N 2 2 294.443 0.367 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N2CCC[N@@H+]3CCC[C@@H]3C2)C[NH2+]1 ZINC001246793558 807381464 /nfs/dbraw/zinc/38/14/64/807381464.db2.gz SZDLAUZZDNMRAR-AGIUHOORSA-N 2 2 267.373 0.060 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N2CCC[N@H+]3CCC[C@@H]3C2)C[NH2+]1 ZINC001246793558 807381470 /nfs/dbraw/zinc/38/14/70/807381470.db2.gz SZDLAUZZDNMRAR-AGIUHOORSA-N 2 2 267.373 0.060 20 0 CCADLP C1C[C@H]2CC([NH+]3CCN(C4CC[NH2+]CC4)CC3)C[C@@H]1[NH2+]2 ZINC001246796330 807384493 /nfs/dbraw/zinc/38/44/93/807384493.db2.gz QQYCGSWFCZJPTM-MZBDJJRSSA-N 3 2 278.444 0.639 20 0 CCADLP CC1([NH+]2CCN([C@@H]3CCC[NH2+]C3)CC2)CC[NH2+]CC1 ZINC001246814508 807390852 /nfs/dbraw/zinc/39/08/52/807390852.db2.gz VXDFSFWGVPTSAW-CQSZACIVSA-N 3 2 266.433 0.498 20 0 CCADLP CC1(C)C[N@@H+](C2CN([C@H]3CCC[NH2+]C3)C2)CCO1 ZINC001246842772 807403717 /nfs/dbraw/zinc/40/37/17/807403717.db2.gz DIASBNUWTSDGKM-LBPRGKRZSA-N 2 2 253.390 0.533 20 0 CCADLP CC1(C)C[N@H+](C2CN([C@H]3CCC[NH2+]C3)C2)CCO1 ZINC001246842772 807403719 /nfs/dbraw/zinc/40/37/19/807403719.db2.gz DIASBNUWTSDGKM-LBPRGKRZSA-N 2 2 253.390 0.533 20 0 CCADLP C[C@@H]1CC[C@@H](N2CC([N@@H+]3CCOC(C)(C)C3)C2)C[NH2+]1 ZINC001246846621 807404828 /nfs/dbraw/zinc/40/48/28/807404828.db2.gz PMTQVXNWVZGKEE-CHWSQXEVSA-N 2 2 267.417 0.922 20 0 CCADLP C[C@@H]1CC[C@@H](N2CC([N@H+]3CCOC(C)(C)C3)C2)C[NH2+]1 ZINC001246846621 807404833 /nfs/dbraw/zinc/40/48/33/807404833.db2.gz PMTQVXNWVZGKEE-CHWSQXEVSA-N 2 2 267.417 0.922 20 0 CCADLP COC(=O)CCC(=O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168356281 815117045 /nfs/dbraw/zinc/11/70/45/815117045.db2.gz NQIVRBAXTZVISQ-UHFFFAOYSA-N 2 2 282.384 0.973 20 0 CCADLP C[C@@H]1CC[C@H]([NH+]2CCC3(CNC(=O)N3)CC2)C[NH2+]1 ZINC001246913832 807426566 /nfs/dbraw/zinc/42/65/66/807426566.db2.gz HPSKYLBTARDVHR-MNOVXSKESA-N 2 2 252.362 0.274 20 0 CCADLP COc1cc(N2CC[NH+]([C@@H]3CC[NH2+][C@@H](C)C3)CC2)ncn1 ZINC001246920892 807428985 /nfs/dbraw/zinc/42/89/85/807428985.db2.gz TYAVBHRHLPQIDO-QWHCGFSZSA-N 2 2 291.399 0.748 20 0 CCADLP COC(=O)[C@@H]([NH3+])[C@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246926503 807429951 /nfs/dbraw/zinc/42/99/51/807429951.db2.gz UAMXCINMPSWMOR-MWWBDVBNSA-N 2 2 281.400 0.482 20 0 CCADLP COCC[N@H+]([C@H]1CSC2(C[NH2+]C2)C1)[C@@H]1CCC[NH2+]C1 ZINC001246927627 807430777 /nfs/dbraw/zinc/43/07/77/807430777.db2.gz HOTDFXVZBXCCGI-CHWSQXEVSA-N 3 2 285.457 0.534 20 0 CCADLP COCC[N@@H+]([C@H]1CSC2(C[NH2+]C2)C1)[C@@H]1CCC[NH2+]C1 ZINC001246927627 807430781 /nfs/dbraw/zinc/43/07/81/807430781.db2.gz HOTDFXVZBXCCGI-CHWSQXEVSA-N 3 2 285.457 0.534 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)O3)C[C@H]1[NH3+] ZINC001246937247 807435978 /nfs/dbraw/zinc/43/59/78/807435978.db2.gz MDGQZMVRRMSIBU-UPUXHGCUSA-N 2 2 254.330 0.129 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)O3)C[C@H]1[NH3+] ZINC001246937247 807435980 /nfs/dbraw/zinc/43/59/80/807435980.db2.gz MDGQZMVRRMSIBU-UPUXHGCUSA-N 2 2 254.330 0.129 20 0 CCADLP CCNC(=O)COC1CC[NH+]([C@@H]2CCC[NH2+]C2)CC1 ZINC001246971591 807443902 /nfs/dbraw/zinc/44/39/02/807443902.db2.gz DDEQYRCUEJJGTG-GFCCVEGCSA-N 2 2 269.389 0.356 20 0 CCADLP C[C@@H]1CC[C@H]([N@@H+]2CCC(=O)N3CCC[C@H]3C2)C[NH2+]1 ZINC001246998151 807451718 /nfs/dbraw/zinc/45/17/18/807451718.db2.gz XNBSQLZJVXRWPA-AGIUHOORSA-N 2 2 251.374 0.824 20 0 CCADLP C[C@@H]1CC[C@H]([N@H+]2CCC(=O)N3CCC[C@H]3C2)C[NH2+]1 ZINC001246998151 807451720 /nfs/dbraw/zinc/45/17/20/807451720.db2.gz XNBSQLZJVXRWPA-AGIUHOORSA-N 2 2 251.374 0.824 20 0 CCADLP COCCn1c[nH+]cc1CNC(=S)NCC[NH+](C)C ZINC001249846678 807576425 /nfs/dbraw/zinc/57/64/25/807576425.db2.gz LOWLUXHDTDWRRW-UHFFFAOYSA-N 2 2 285.417 0.055 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](C[C@H](O)C(F)(F)F)CCC1=O ZINC001250973280 807627344 /nfs/dbraw/zinc/62/73/44/807627344.db2.gz ATYKOABLCJSIQV-JTQLQIEISA-N 2 2 297.321 0.006 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](C[C@H](O)C(F)(F)F)CCC1=O ZINC001250973280 807627348 /nfs/dbraw/zinc/62/73/48/807627348.db2.gz ATYKOABLCJSIQV-JTQLQIEISA-N 2 2 297.321 0.006 20 0 CCADLP CC(C)[N@H+](C)[C@H]1CCN(C[C@H](O)C[NH+]2CCOCC2)C1 ZINC001251025178 807644659 /nfs/dbraw/zinc/64/46/59/807644659.db2.gz UQSFCJIPDPRALP-LSDHHAIUSA-N 2 2 285.432 0.094 20 0 CCADLP CC(C)[N@@H+](C)[C@H]1CCN(C[C@H](O)C[NH+]2CCOCC2)C1 ZINC001251025178 807644663 /nfs/dbraw/zinc/64/46/63/807644663.db2.gz UQSFCJIPDPRALP-LSDHHAIUSA-N 2 2 285.432 0.094 20 0 CCADLP COCC[N@H+](C[C@H](O)COC)C1CC[NH+](C)CC1 ZINC001252816406 807967083 /nfs/dbraw/zinc/96/70/83/807967083.db2.gz HDOJNUCZPDZFFX-ZDUSSCGKSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[N@@H+](C[C@H](O)COC)C1CC[NH+](C)CC1 ZINC001252816406 807967086 /nfs/dbraw/zinc/96/70/86/807967086.db2.gz HDOJNUCZPDZFFX-ZDUSSCGKSA-N 2 2 260.378 0.036 20 0 CCADLP CC[NH+](CC)C[C@@H](O)CNc1cc(N(C)CCO)nc[nH+]1 ZINC001253176063 808016749 /nfs/dbraw/zinc/01/67/49/808016749.db2.gz DZYBWRIFWBQIBY-LBPRGKRZSA-N 2 2 297.403 0.020 20 0 CCADLP CC[NH+](CC)C[C@@H](O)CNc1cc(N(C)CCO)[nH+]cn1 ZINC001253176063 808016758 /nfs/dbraw/zinc/01/67/58/808016758.db2.gz DZYBWRIFWBQIBY-LBPRGKRZSA-N 2 2 297.403 0.020 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001253182913 808020593 /nfs/dbraw/zinc/02/05/93/808020593.db2.gz VDOUGUHQWNFUOQ-RDBSUJKOSA-N 2 2 256.390 0.800 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001253182913 808020601 /nfs/dbraw/zinc/02/06/01/808020601.db2.gz VDOUGUHQWNFUOQ-RDBSUJKOSA-N 2 2 256.390 0.800 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC(C)(C(=O)OC)CC1 ZINC001253188959 808023710 /nfs/dbraw/zinc/02/37/10/808023710.db2.gz CXXUKDZTHMMYDH-CYBMUJFWSA-N 2 2 286.416 0.964 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001253204843 808030576 /nfs/dbraw/zinc/03/05/76/808030576.db2.gz WWBOEERLHRAQPE-KBPBESRZSA-N 3 2 257.422 0.763 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001253204843 808030582 /nfs/dbraw/zinc/03/05/82/808030582.db2.gz WWBOEERLHRAQPE-KBPBESRZSA-N 3 2 257.422 0.763 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+]Cc1ccc(C(=O)OC)[nH]1 ZINC001253211895 808035207 /nfs/dbraw/zinc/03/52/07/808035207.db2.gz CCNVQYXKISBUOZ-LBPRGKRZSA-N 2 2 283.372 0.594 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+]Cc1ccc2nnc(C)n2c1 ZINC001253215680 808035903 /nfs/dbraw/zinc/03/59/03/808035903.db2.gz YXZGIMSTHNKODT-AWEZNQCLSA-N 2 2 291.399 0.830 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]Cc1ccc2nnc(C)n2c1 ZINC001253215681 808036715 /nfs/dbraw/zinc/03/67/15/808036715.db2.gz YXZGIMSTHNKODT-CQSZACIVSA-N 2 2 291.399 0.830 20 0 CCADLP CC(=O)N(C)C1CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253394459 808054838 /nfs/dbraw/zinc/05/48/38/808054838.db2.gz LQIKVMFBCQUHKD-CQSZACIVSA-N 2 2 285.432 0.678 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCC[C@@]2(CCC(=O)O2)C1 ZINC001253395845 808054931 /nfs/dbraw/zinc/05/49/31/808054931.db2.gz NMPWQFOJRKCMHM-IUODEOHRSA-N 2 2 284.400 0.907 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@@]2(CCC(=O)O2)C1 ZINC001253395845 808054939 /nfs/dbraw/zinc/05/49/39/808054939.db2.gz NMPWQFOJRKCMHM-IUODEOHRSA-N 2 2 284.400 0.907 20 0 CCADLP CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@@H]([NH3+])C2)CC1=O ZINC001254227615 808196958 /nfs/dbraw/zinc/19/69/58/808196958.db2.gz HOJXZYITCWLPLG-MNOVXSKESA-N 2 2 283.372 0.946 20 0 CCADLP CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CC[C@@H]([NH3+])C2)CC1=O ZINC001254227615 808196961 /nfs/dbraw/zinc/19/69/61/808196961.db2.gz HOJXZYITCWLPLG-MNOVXSKESA-N 2 2 283.372 0.946 20 0 CCADLP C[N@@H+]1CCC[C@H]([NH2+]C2CC[NH+](CCO)CC2)CC1 ZINC001254504087 808246969 /nfs/dbraw/zinc/24/69/69/808246969.db2.gz SJXZQNIOEBQSQA-ZDUSSCGKSA-N 3 2 255.406 0.517 20 0 CCADLP C[N@H+]1CCC[C@H]([NH2+]C2CC[NH+](CCO)CC2)CC1 ZINC001254504087 808246974 /nfs/dbraw/zinc/24/69/74/808246974.db2.gz SJXZQNIOEBQSQA-ZDUSSCGKSA-N 3 2 255.406 0.517 20 0 CCADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)N[C@@H]1CCC[N@H+](C)CC1 ZINC001254510487 808249138 /nfs/dbraw/zinc/24/91/38/808249138.db2.gz WYUYWQIORFJZMN-TZMCWYRMSA-N 2 2 294.399 0.578 20 0 CCADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)N[C@@H]1CCC[N@@H+](C)CC1 ZINC001254510487 808249143 /nfs/dbraw/zinc/24/91/43/808249143.db2.gz WYUYWQIORFJZMN-TZMCWYRMSA-N 2 2 294.399 0.578 20 0 CCADLP O=C1C[C@@H]([NH2+][C@@H]2CC3CC[NH+](CC3)C2)CCCN1 ZINC001254850004 808286585 /nfs/dbraw/zinc/28/65/85/808286585.db2.gz CIXUZQWRUMFMGP-QWHCGFSZSA-N 2 2 251.374 0.729 20 0 CCADLP C[C@@H]1CNC(=O)C[N@@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255681270 808422693 /nfs/dbraw/zinc/42/26/93/808422693.db2.gz QNIINTNPSOYEQY-FKJOKYEKSA-N 2 2 251.374 0.822 20 0 CCADLP C[C@@H]1CNC(=O)C[N@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255681270 808422697 /nfs/dbraw/zinc/42/26/97/808422697.db2.gz QNIINTNPSOYEQY-FKJOKYEKSA-N 2 2 251.374 0.822 20 0 CCADLP C[C@@H]1CNC(=O)C[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255681270 808422702 /nfs/dbraw/zinc/42/27/02/808422702.db2.gz QNIINTNPSOYEQY-FKJOKYEKSA-N 2 2 251.374 0.822 20 0 CCADLP C[C@@H]1CNC(=O)C[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255681270 808422706 /nfs/dbraw/zinc/42/27/06/808422706.db2.gz QNIINTNPSOYEQY-FKJOKYEKSA-N 2 2 251.374 0.822 20 0 CCADLP CN1CC[N@@H+](C2CC[NH+](C3CC3)CC2)CCC1=O ZINC001256078572 808469548 /nfs/dbraw/zinc/46/95/48/808469548.db2.gz ZTAHXVFBRHYWDY-UHFFFAOYSA-N 2 2 251.374 0.777 20 0 CCADLP CN1CC[N@H+](C2CC[NH+](C3CC3)CC2)CCC1=O ZINC001256078572 808469552 /nfs/dbraw/zinc/46/95/52/808469552.db2.gz ZTAHXVFBRHYWDY-UHFFFAOYSA-N 2 2 251.374 0.777 20 0 CCADLP O=C1NC[C@@H]2CC[N@@H+](C3CC[NH+](C4CC4)CC3)C[C@H]12 ZINC001256079378 808469620 /nfs/dbraw/zinc/46/96/20/808469620.db2.gz IROIYQJCAOEPQX-FZMZJTMJSA-N 2 2 263.385 0.681 20 0 CCADLP O=C1NC[C@@H]2CC[N@H+](C3CC[NH+](C4CC4)CC3)C[C@H]12 ZINC001256079378 808469622 /nfs/dbraw/zinc/46/96/22/808469622.db2.gz IROIYQJCAOEPQX-FZMZJTMJSA-N 2 2 263.385 0.681 20 0 CCADLP O=C1NC(=O)C2(CC[NH+](C3CC[NH+](C4CC4)CC3)CC2)N1 ZINC001256080921 808469663 /nfs/dbraw/zinc/46/96/63/808469663.db2.gz HZCHECWZEAXMQP-UHFFFAOYSA-N 2 2 292.383 0.287 20 0 CCADLP CC(C)(C)[NH+]1CCC([N@@H+]2CCOC[C@@H](O)C2)CC1 ZINC001256569688 808535281 /nfs/dbraw/zinc/53/52/81/808535281.db2.gz NNCZJEZFWIDHNW-ZDUSSCGKSA-N 2 2 256.390 0.942 20 0 CCADLP CC(C)(C)[NH+]1CCC([N@H+]2CCOC[C@@H](O)C2)CC1 ZINC001256569688 808535287 /nfs/dbraw/zinc/53/52/87/808535287.db2.gz NNCZJEZFWIDHNW-ZDUSSCGKSA-N 2 2 256.390 0.942 20 0 CCADLP CC(=O)OC1C[NH+](C2CCC([NH+]3CCOCC3)CC2)C1 ZINC001256695238 808552090 /nfs/dbraw/zinc/55/20/90/808552090.db2.gz RTDFOGNEEPZXRN-UHFFFAOYSA-N 2 2 282.384 0.877 20 0 CCADLP CCOC(=O)CNC(=O)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC001257205121 808596934 /nfs/dbraw/zinc/59/69/34/808596934.db2.gz GAOLEZLIHVEBPU-UHFFFAOYSA-N 2 2 285.388 0.128 20 0 CCADLP C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C[NH2+]CCF ZINC001279103345 808691876 /nfs/dbraw/zinc/69/18/76/808691876.db2.gz PLCHGMCSLRTSPD-NWDGAFQWSA-N 2 2 282.363 0.996 20 0 CCADLP C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCF ZINC001279103345 808691878 /nfs/dbraw/zinc/69/18/78/808691878.db2.gz PLCHGMCSLRTSPD-NWDGAFQWSA-N 2 2 282.363 0.996 20 0 CCADLP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@H](C)Cc1cccnc1 ZINC001258611680 808695431 /nfs/dbraw/zinc/69/54/31/808695431.db2.gz MTPZYWGLGYNQNC-DGCLKSJQSA-N 2 2 265.357 0.883 20 0 CCADLP CCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076295965 815273883 /nfs/dbraw/zinc/27/38/83/815273883.db2.gz GVCLLVAJCVDAPG-WCQYABFASA-N 2 2 262.357 0.895 20 0 CCADLP CCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076295965 815273886 /nfs/dbraw/zinc/27/38/86/815273886.db2.gz GVCLLVAJCVDAPG-WCQYABFASA-N 2 2 262.357 0.895 20 0 CCADLP CC1(C)C[C@H]1CNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001262572043 809349960 /nfs/dbraw/zinc/34/99/60/809349960.db2.gz JPNVUGYPQNVHDJ-NSHDSACASA-N 2 2 268.405 0.755 20 0 CCADLP C/C=C\C[C@@H](CO)NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001262592673 809363442 /nfs/dbraw/zinc/36/34/42/809363442.db2.gz YLIPZDLHVXWVHW-ZRMMWKCHSA-N 2 2 284.404 0.036 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)CCSCCC[NH3+] ZINC001263095898 809442042 /nfs/dbraw/zinc/44/20/42/809442042.db2.gz ZVABSZWBRKXCIG-LBPRGKRZSA-N 2 2 289.445 0.295 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC001263187878 809475407 /nfs/dbraw/zinc/47/54/07/809475407.db2.gz AGQBLQIRALSEOE-DTSKHDKYSA-N 2 2 281.400 0.237 20 0 CCADLP CC[NH+](CC)C[C@H](O)CN1CC[C@H]([NH+]2CCOCC2)C1 ZINC000383736761 809570288 /nfs/dbraw/zinc/57/02/88/809570288.db2.gz ACLGVEZHMKOGFE-GJZGRUSLSA-N 2 2 285.432 0.096 20 0 CCADLP COCC[NH2+][C@@H]1CC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001263903434 809603548 /nfs/dbraw/zinc/60/35/48/809603548.db2.gz VKZKJEYMKWJUDT-QWHCGFSZSA-N 2 2 294.399 0.863 20 0 CCADLP COCC[NH2+][C@@H]1CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001263903434 809603550 /nfs/dbraw/zinc/60/35/50/809603550.db2.gz VKZKJEYMKWJUDT-QWHCGFSZSA-N 2 2 294.399 0.863 20 0 CCADLP COC1(C(=O)NCC[NH+]2CCC([NH3+])CC2)CCCC1 ZINC000700819030 809775260 /nfs/dbraw/zinc/77/52/60/809775260.db2.gz DJGFCQJIEOVUHD-UHFFFAOYSA-N 2 2 269.389 0.485 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CCC[C@H](C)O ZINC001265844014 809873059 /nfs/dbraw/zinc/87/30/59/809873059.db2.gz QYLHUQQTULUKIJ-MNOVXSKESA-N 2 2 268.361 0.208 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([NH2+]CCOC2CCC2)C1 ZINC001265932340 809897724 /nfs/dbraw/zinc/89/77/24/809897724.db2.gz KSTZZUOQGOIBGJ-LBPRGKRZSA-N 2 2 292.383 0.712 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](C[NH2+]CCF)C1 ZINC001266020333 809919126 /nfs/dbraw/zinc/91/91/26/809919126.db2.gz GXYWPAVWTUEQET-NEPJUHHUSA-N 2 2 282.363 0.996 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](C[NH2+]CCF)C1 ZINC001266020333 809919129 /nfs/dbraw/zinc/91/91/29/809919129.db2.gz GXYWPAVWTUEQET-NEPJUHHUSA-N 2 2 282.363 0.996 20 0 CCADLP COCC[NH2+][C@H]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266075265 809931440 /nfs/dbraw/zinc/93/14/40/809931440.db2.gz KRUNHNLLEYCYKL-QWHCGFSZSA-N 2 2 294.399 0.924 20 0 CCADLP COCCC[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001279328447 809974580 /nfs/dbraw/zinc/97/45/80/809974580.db2.gz HKMOLMWZWPHXIR-UHFFFAOYSA-N 2 2 280.372 0.499 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](CC[NH2+]CCCO)C1 ZINC001280241296 810010256 /nfs/dbraw/zinc/01/02/56/810010256.db2.gz LLPVSUIQDJSCOF-GFCCVEGCSA-N 2 2 280.372 0.163 20 0 CCADLP [NH3+]Cc1ccnc(N[C@@H]2CCC[N@@H+](C3COC3)C2)c1 ZINC001168367758 815419025 /nfs/dbraw/zinc/41/90/25/815419025.db2.gz SKWHVAQURAXWIV-GFCCVEGCSA-N 2 2 262.357 0.815 20 0 CCADLP [NH3+]Cc1ccnc(N[C@@H]2CCC[N@H+](C3COC3)C2)c1 ZINC001168367758 815419030 /nfs/dbraw/zinc/41/90/30/815419030.db2.gz SKWHVAQURAXWIV-GFCCVEGCSA-N 2 2 262.357 0.815 20 0 CCADLP Cc1csc(=O)n1CC[N@@H+](C)C1(C[NH3+])CCOCC1 ZINC000725001580 811179265 /nfs/dbraw/zinc/17/92/65/811179265.db2.gz JAQBTBDKWTYBFL-UHFFFAOYSA-N 2 2 285.413 0.658 20 0 CCADLP Cc1csc(=O)n1CC[N@H+](C)C1(C[NH3+])CCOCC1 ZINC000725001580 811179268 /nfs/dbraw/zinc/17/92/68/811179268.db2.gz JAQBTBDKWTYBFL-UHFFFAOYSA-N 2 2 285.413 0.658 20 0 CCADLP C[C@H](F)CC[NH2+]CCN(C)C(=O)Cc1c[nH+]cn1C ZINC001267456225 811318264 /nfs/dbraw/zinc/31/82/64/811318264.db2.gz PWJODXONEXNRGH-NSHDSACASA-N 2 2 270.352 0.759 20 0 CCADLP CCCCOCC[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149134361 811367771 /nfs/dbraw/zinc/36/77/71/811367771.db2.gz JCZPUZIDKZDWEV-UHFFFAOYSA-N 2 2 282.388 0.783 20 0 CCADLP COCC[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104729047 811560455 /nfs/dbraw/zinc/56/04/55/811560455.db2.gz NSGBSPRVXDYNQI-CHWSQXEVSA-N 2 2 294.399 0.673 20 0 CCADLP CCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001267707225 811670200 /nfs/dbraw/zinc/67/02/00/811670200.db2.gz PQKGXVLXXKRZHZ-SOUVJXGZSA-N 2 2 295.427 0.792 20 0 CCADLP CCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001267707225 811670203 /nfs/dbraw/zinc/67/02/03/811670203.db2.gz PQKGXVLXXKRZHZ-SOUVJXGZSA-N 2 2 295.427 0.792 20 0 CCADLP CCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001267707225 811670213 /nfs/dbraw/zinc/67/02/13/811670213.db2.gz PQKGXVLXXKRZHZ-SOUVJXGZSA-N 2 2 295.427 0.792 20 0 CCADLP C[NH+](C)CCCC[C@H]([NH3+])C(=O)NCCn1cc[nH+]c1 ZINC001219564068 811685414 /nfs/dbraw/zinc/68/54/14/811685414.db2.gz QIXDMLGRBAEWSY-LBPRGKRZSA-N 3 2 267.377 0.059 20 0 CCADLP CC(C)[C@@]1(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CCC[NH2+]C1 ZINC001219695479 811698679 /nfs/dbraw/zinc/69/86/79/811698679.db2.gz USZSZHJXKAPARL-UKRRQHHQSA-N 2 2 283.416 0.459 20 0 CCADLP CC(C)[C@@]1(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CCC[NH2+]C1 ZINC001219695479 811698682 /nfs/dbraw/zinc/69/86/82/811698682.db2.gz USZSZHJXKAPARL-UKRRQHHQSA-N 2 2 283.416 0.459 20 0 CCADLP O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)C1(F)C[NH2+]C1 ZINC001220158849 811717765 /nfs/dbraw/zinc/71/77/65/811717765.db2.gz IVEMIBJSGKMYIV-PWSUYJOCSA-N 2 2 255.337 0.336 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000396563862 811797360 /nfs/dbraw/zinc/79/73/60/811797360.db2.gz UXSOHXXSCDZTMW-UONOGXRCSA-N 3 2 268.449 0.743 20 0 CCADLP CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001267811789 811806817 /nfs/dbraw/zinc/80/68/17/811806817.db2.gz XHJMBHNBNZJDNC-NEPJUHHUSA-N 2 2 264.373 0.950 20 0 CCADLP COCCOCCOCCC[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000690137768 811908004 /nfs/dbraw/zinc/90/80/04/811908004.db2.gz ANOIIGLKTVDMCI-CYBMUJFWSA-N 2 2 274.405 0.725 20 0 CCADLP COCCOCCOCCC[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000690137768 811908009 /nfs/dbraw/zinc/90/80/09/811908009.db2.gz ANOIIGLKTVDMCI-CYBMUJFWSA-N 2 2 274.405 0.725 20 0 CCADLP C[C@H]1C(=O)CCN(C(=O)[C@@H]([NH3+])CC[NH3+])C12CCCC2 ZINC001161516194 812030693 /nfs/dbraw/zinc/03/06/93/812030693.db2.gz ABTMBLDITHLOGZ-QWRGUYRKSA-N 2 2 267.373 0.413 20 0 CCADLP O=C(NC[C@H]1CCC[N@H+]1CCO)[C@@H]1CCc2c[nH+]cn2C1 ZINC001027982184 812192104 /nfs/dbraw/zinc/19/21/04/812192104.db2.gz RPPMNGUKZMKKJP-CHWSQXEVSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(NC[C@H]1CCC[N@@H+]1CCO)[C@@H]1CCc2c[nH+]cn2C1 ZINC001027982184 812192109 /nfs/dbraw/zinc/19/21/09/812192109.db2.gz RPPMNGUKZMKKJP-CHWSQXEVSA-N 2 2 292.383 0.018 20 0 CCADLP C[C@H](C[NH2+]CCC[C@H](C)O)N(C)C(=O)Cn1cc[nH+]c1 ZINC001268097591 812255597 /nfs/dbraw/zinc/25/55/97/812255597.db2.gz GRJASHNRSPMFLW-OLZOCXBDSA-N 2 2 282.388 0.481 20 0 CCADLP CCN(CC[NH2+]Cc1nncs1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268439559 812570380 /nfs/dbraw/zinc/57/03/80/812570380.db2.gz RGFUWFHQTGPFBU-LLVKDONJSA-N 2 2 297.428 0.570 20 0 CCADLP CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc1ncccn1)[NH+](C)C ZINC001268593199 812893238 /nfs/dbraw/zinc/89/32/38/812893238.db2.gz ROUDZVREJLRYMI-SZZPACECSA-N 2 2 291.399 0.579 20 0 CCADLP COCC[N@H+](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001268751296 813063000 /nfs/dbraw/zinc/06/30/00/813063000.db2.gz LCSJGIGLAWEDQV-SNVBAGLBSA-N 2 2 254.334 0.035 20 0 CCADLP COCC[N@@H+](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001268751296 813063008 /nfs/dbraw/zinc/06/30/08/813063008.db2.gz LCSJGIGLAWEDQV-SNVBAGLBSA-N 2 2 254.334 0.035 20 0 CCADLP CN(CCC[NH2+]C[C@H]1CCCCO1)C(=O)Cc1[nH]cc[nH+]1 ZINC001268894365 813136706 /nfs/dbraw/zinc/13/67/06/813136706.db2.gz XAPFMHYKUMDGDQ-CYBMUJFWSA-N 2 2 294.399 0.959 20 0 CCADLP C[N@@H+]1CCO[C@@]2(CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001269840739 813527093 /nfs/dbraw/zinc/52/70/93/813527093.db2.gz KZZKGDCSGHDITL-AWEZNQCLSA-N 2 2 278.356 0.206 20 0 CCADLP C[N@H+]1CCO[C@@]2(CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001269840739 813527097 /nfs/dbraw/zinc/52/70/97/813527097.db2.gz KZZKGDCSGHDITL-AWEZNQCLSA-N 2 2 278.356 0.206 20 0 CCADLP C[C@@H]1CC[C@H](C[NH2+]CCNC(=O)CCc2[nH]cc[nH+]2)O1 ZINC001126437012 813586499 /nfs/dbraw/zinc/58/64/99/813586499.db2.gz RGIRTUHCLKMJLM-VXGBXAGGSA-N 2 2 280.372 0.616 20 0 CCADLP CC(C)COCC[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126437208 813587286 /nfs/dbraw/zinc/58/72/86/813587286.db2.gz VRQYELWHYWYEJB-UHFFFAOYSA-N 2 2 282.388 0.721 20 0 CCADLP CO[C@@H](C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1)C1CCC1 ZINC001126442500 813598027 /nfs/dbraw/zinc/59/80/27/813598027.db2.gz OJUMSLYLHOBVQS-ZDUSSCGKSA-N 2 2 294.399 0.863 20 0 CCADLP C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001270446727 813766689 /nfs/dbraw/zinc/76/66/89/813766689.db2.gz JLHDWDRHNFZZQV-NSHDSACASA-N 2 2 274.368 0.994 20 0 CCADLP C[N@H+]1CCC2(CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001270446727 813766694 /nfs/dbraw/zinc/76/66/94/813766694.db2.gz JLHDWDRHNFZZQV-NSHDSACASA-N 2 2 274.368 0.994 20 0 CCADLP COC[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001167976774 813879750 /nfs/dbraw/zinc/87/97/50/813879750.db2.gz DZVJXHNMOUZIEE-NWDGAFQWSA-N 2 2 282.388 0.719 20 0 CCADLP COC[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001167976774 813879759 /nfs/dbraw/zinc/87/97/59/813879759.db2.gz DZVJXHNMOUZIEE-NWDGAFQWSA-N 2 2 282.388 0.719 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@H]1COC2(CCC2)C1)C1CC1 ZINC000688271879 813936485 /nfs/dbraw/zinc/93/64/85/813936485.db2.gz KHLXMQAIYCAWKP-DGCLKSJQSA-N 2 2 254.374 0.743 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@H]1COC2(CCC2)C1)C1CC1 ZINC000688271879 813936490 /nfs/dbraw/zinc/93/64/90/813936490.db2.gz KHLXMQAIYCAWKP-DGCLKSJQSA-N 2 2 254.374 0.743 20 0 CCADLP CC/C=C\CC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001271263745 814356389 /nfs/dbraw/zinc/35/63/89/814356389.db2.gz ZTUPFESKYTVFDD-ZRUQZJFASA-N 2 2 295.427 0.600 20 0 CCADLP CC/C=C\CC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001271263745 814356397 /nfs/dbraw/zinc/35/63/97/814356397.db2.gz ZTUPFESKYTVFDD-ZRUQZJFASA-N 2 2 295.427 0.600 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001029569747 814437283 /nfs/dbraw/zinc/43/72/83/814437283.db2.gz DWOAAGYBXXADJP-OKILXGFUSA-N 2 2 292.383 0.020 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001029569747 814437287 /nfs/dbraw/zinc/43/72/87/814437287.db2.gz DWOAAGYBXXADJP-OKILXGFUSA-N 2 2 292.383 0.020 20 0 CCADLP CCOCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001271458750 814453491 /nfs/dbraw/zinc/45/34/91/814453491.db2.gz PHBGNHNVQYVZEU-UONOGXRCSA-N 2 2 294.399 0.746 20 0 CCADLP C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccc(N)[nH+]c1 ZINC001271815358 814591269 /nfs/dbraw/zinc/59/12/69/814591269.db2.gz GRBBJUGOPFAFOO-BETUJISGSA-N 2 2 274.368 0.901 20 0 CCADLP C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1ccc(N)[nH+]c1 ZINC001271815358 814591272 /nfs/dbraw/zinc/59/12/72/814591272.db2.gz GRBBJUGOPFAFOO-BETUJISGSA-N 2 2 274.368 0.901 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](C)C[C@H](C1)O2 ZINC001271932155 814634212 /nfs/dbraw/zinc/63/42/12/814634212.db2.gz UGYQQISNTKZVII-HZSPNIEDSA-N 2 2 281.400 0.402 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](C)C[C@H](C1)O2 ZINC001271932155 814634218 /nfs/dbraw/zinc/63/42/18/814634218.db2.gz UGYQQISNTKZVII-HZSPNIEDSA-N 2 2 281.400 0.402 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](C)C[C@H](C1)O2 ZINC001271932155 814634227 /nfs/dbraw/zinc/63/42/27/814634227.db2.gz UGYQQISNTKZVII-HZSPNIEDSA-N 2 2 281.400 0.402 20 0 CCADLP CC[C@@H](C[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1)OC ZINC001030161843 815852766 /nfs/dbraw/zinc/85/27/66/815852766.db2.gz QWLDJKBPMZIPKP-QWHCGFSZSA-N 2 2 269.389 0.306 20 0 CCADLP CC[C@@H](C[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1)OC ZINC001030161843 815852775 /nfs/dbraw/zinc/85/27/75/815852775.db2.gz QWLDJKBPMZIPKP-QWHCGFSZSA-N 2 2 269.389 0.306 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CC[C@H]2CCCCO2)C1 ZINC001030162724 815855778 /nfs/dbraw/zinc/85/57/78/815855778.db2.gz YSZBWOLQSMGRLD-HUUCEWRRSA-N 2 2 295.427 0.840 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CC[C@H]2CCCCO2)C1 ZINC001030162724 815855787 /nfs/dbraw/zinc/85/57/87/815855787.db2.gz YSZBWOLQSMGRLD-HUUCEWRRSA-N 2 2 295.427 0.840 20 0 CCADLP CC(C)CC[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001030179595 815871376 /nfs/dbraw/zinc/87/13/76/815871376.db2.gz BQOAMRYMHVTSRO-CYBMUJFWSA-N 2 2 269.389 0.164 20 0 CCADLP CC(C)CC[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001030179595 815871382 /nfs/dbraw/zinc/87/13/82/815871382.db2.gz BQOAMRYMHVTSRO-CYBMUJFWSA-N 2 2 269.389 0.164 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000226031758 815948095 /nfs/dbraw/zinc/94/80/95/815948095.db2.gz XENDMCVBJLCZKE-XQQFMLRXSA-N 2 2 269.389 0.293 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000226031758 815948099 /nfs/dbraw/zinc/94/80/99/815948099.db2.gz XENDMCVBJLCZKE-XQQFMLRXSA-N 2 2 269.389 0.293 20 0 CCADLP O=C(NC1C[NH+](CCCO)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001030520688 816083123 /nfs/dbraw/zinc/08/31/23/816083123.db2.gz ZTAMHPISCUCOPC-KGLIPLIRSA-N 2 2 281.400 0.186 20 0 CCADLP O=C(NC1C[NH+](CCCO)C1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001030520688 816083132 /nfs/dbraw/zinc/08/31/32/816083132.db2.gz ZTAMHPISCUCOPC-KGLIPLIRSA-N 2 2 281.400 0.186 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001030533814 816092320 /nfs/dbraw/zinc/09/23/20/816092320.db2.gz ZTRQSJQDWNXAMR-DGCLKSJQSA-N 2 2 269.389 0.306 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001030533814 816092327 /nfs/dbraw/zinc/09/23/27/816092327.db2.gz ZTRQSJQDWNXAMR-DGCLKSJQSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@](O)(C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C(F)(F)F ZINC000698571561 816136570 /nfs/dbraw/zinc/13/65/70/816136570.db2.gz VGMVRDRGIJKBQU-YLZYEPSMSA-N 2 2 264.291 0.886 20 0 CCADLP O=C(NC1C[NH+](CCCF)C1)C12CCC[NH+]1CCC2 ZINC001030607308 816143298 /nfs/dbraw/zinc/14/32/98/816143298.db2.gz ITBIIRWEPJGHTH-UHFFFAOYSA-N 2 2 269.364 0.775 20 0 CCADLP CC[C@@H](C[NH+]1CC(NC(=O)Cn2c[nH+]cc2C)C1)OC ZINC001030683491 816216160 /nfs/dbraw/zinc/21/61/60/816216160.db2.gz MFMNRLDHEXBPCT-ZDUSSCGKSA-N 2 2 280.372 0.417 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCO ZINC001272290341 816275018 /nfs/dbraw/zinc/27/50/18/816275018.db2.gz MRGNHRSMDBTDHB-QWHCGFSZSA-N 2 2 294.399 0.220 20 0 CCADLP C[C@@H](C(=O)NC1C[NH+](CCCO)C1)[NH+]1CCCCCC1 ZINC001031050013 816607708 /nfs/dbraw/zinc/60/77/08/816607708.db2.gz WTMACNPTGQKBHM-ZDUSSCGKSA-N 2 2 283.416 0.434 20 0 CCADLP CO[C@H](C)C[NH2+]CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001127292963 816644471 /nfs/dbraw/zinc/64/44/71/816644471.db2.gz PMPFJCKMFWGSGK-GFCCVEGCSA-N 2 2 290.367 0.997 20 0 CCADLP C[C@@H](O)C[NH+]1CC(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001031104360 816650398 /nfs/dbraw/zinc/65/03/98/816650398.db2.gz PMRNYTHIYGAWEB-GFCCVEGCSA-N 2 2 291.395 0.543 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCF ZINC001106705117 816858847 /nfs/dbraw/zinc/85/88/47/816858847.db2.gz RVHHERPKOYGDPS-GHMZBOCLSA-N 2 2 268.336 0.606 20 0 CCADLP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001031235270 816866662 /nfs/dbraw/zinc/86/66/62/816866662.db2.gz QADZLYDSRQLVFP-UKRRQHHQSA-N 2 2 297.443 0.822 20 0 CCADLP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001031235270 816866668 /nfs/dbraw/zinc/86/66/68/816866668.db2.gz QADZLYDSRQLVFP-UKRRQHHQSA-N 2 2 297.443 0.822 20 0 CCADLP COCC[NH+]1CC(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001031254523 816902610 /nfs/dbraw/zinc/90/26/10/816902610.db2.gz USYYXVROYKEFSG-TZMCWYRMSA-N 2 2 283.416 0.554 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)NC2C[NH+](C[C@H]3CC(C)(C)CO3)C2)C1 ZINC001031384733 817019423 /nfs/dbraw/zinc/01/94/23/817019423.db2.gz KODQWIHOMFCRFZ-GXTWGEPZSA-N 2 2 295.427 0.554 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)NC2C[NH+](C[C@H]3CC(C)(C)CO3)C2)C1 ZINC001031384733 817019428 /nfs/dbraw/zinc/01/94/28/817019428.db2.gz KODQWIHOMFCRFZ-GXTWGEPZSA-N 2 2 295.427 0.554 20 0 CCADLP O=C(C[NH+]1CCCC1)NC1C[NH+](CC[C@H]2CCCCO2)C1 ZINC001031389156 817022564 /nfs/dbraw/zinc/02/25/64/817022564.db2.gz DFGDLDGFXCILPI-OAHLLOKOSA-N 2 2 295.427 0.842 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC1C[NH+](CC[C@@H]2CCOC2)C1 ZINC001031477094 817073255 /nfs/dbraw/zinc/07/32/55/817073255.db2.gz QIPUQRZTHPBZPJ-GFCCVEGCSA-N 2 2 278.356 0.110 20 0 CCADLP Cn1nccc1C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001031580927 817162909 /nfs/dbraw/zinc/16/29/09/817162909.db2.gz ZGCOLQHFTJSIHF-CQSZACIVSA-N 2 2 291.399 0.062 20 0 CCADLP Cn1nccc1C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001031580927 817162916 /nfs/dbraw/zinc/16/29/16/817162916.db2.gz ZGCOLQHFTJSIHF-CQSZACIVSA-N 2 2 291.399 0.062 20 0 CCADLP CC[NH+]1CC(CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001031686646 817243451 /nfs/dbraw/zinc/24/34/51/817243451.db2.gz ROHDPDFAXHMETG-AWEZNQCLSA-N 2 2 291.399 0.858 20 0 CCADLP CC[NH+]1CC(CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001031686646 817243457 /nfs/dbraw/zinc/24/34/57/817243457.db2.gz ROHDPDFAXHMETG-AWEZNQCLSA-N 2 2 291.399 0.858 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001127659775 817424868 /nfs/dbraw/zinc/42/48/68/817424868.db2.gz KLHNFMBHEFGSBG-CKYFFXLPSA-N 2 2 295.387 0.485 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001127659775 817424874 /nfs/dbraw/zinc/42/48/74/817424874.db2.gz KLHNFMBHEFGSBG-CKYFFXLPSA-N 2 2 295.387 0.485 20 0 CCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CCF)C2)C1 ZINC001031920977 817464702 /nfs/dbraw/zinc/46/47/02/817464702.db2.gz DKICSILXKPBULH-CYBMUJFWSA-N 2 2 287.379 0.113 20 0 CCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CCF)C2)C1 ZINC001031920977 817464709 /nfs/dbraw/zinc/46/47/09/817464709.db2.gz DKICSILXKPBULH-CYBMUJFWSA-N 2 2 287.379 0.113 20 0 CCADLP Cc1nc(NC/C=C\CNC(=O)[C@H]2CCC[N@H+]2C)cc[nH+]1 ZINC001107116772 817767004 /nfs/dbraw/zinc/76/70/04/817767004.db2.gz MTUHYCSMIGJWPW-DHCBQETCSA-N 2 2 289.383 0.964 20 0 CCADLP Cc1nc(NC/C=C\CNC(=O)[C@H]2CCC[N@@H+]2C)cc[nH+]1 ZINC001107116772 817767013 /nfs/dbraw/zinc/76/70/13/817767013.db2.gz MTUHYCSMIGJWPW-DHCBQETCSA-N 2 2 289.383 0.964 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)NCC[NH2+]CC1CC1 ZINC001127785183 817869516 /nfs/dbraw/zinc/86/95/16/817869516.db2.gz GGPBHKGSOBQCPM-UHFFFAOYSA-N 2 2 276.384 0.878 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@]12CCC[C@H]1[N@H+](CCO)CC2 ZINC001107652381 817917872 /nfs/dbraw/zinc/91/78/72/817917872.db2.gz QNKBQVUDCXMMKJ-UKRRQHHQSA-N 2 2 292.383 0.236 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@]12CCC[C@H]1[N@@H+](CCO)CC2 ZINC001107652381 817917900 /nfs/dbraw/zinc/91/79/00/817917900.db2.gz QNKBQVUDCXMMKJ-UKRRQHHQSA-N 2 2 292.383 0.236 20 0 CCADLP Cc1nc(NC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001107765124 817989487 /nfs/dbraw/zinc/98/94/87/817989487.db2.gz DUXUFZQTRRODLF-PWSUYJOCSA-N 2 2 277.372 0.653 20 0 CCADLP Cc1nc(NC[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001107765124 817989492 /nfs/dbraw/zinc/98/94/92/817989492.db2.gz DUXUFZQTRRODLF-PWSUYJOCSA-N 2 2 277.372 0.653 20 0 CCADLP Cc1ccc2c(ncnc2NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001168735299 818534564 /nfs/dbraw/zinc/53/45/64/818534564.db2.gz MUKGENJWBWWCKM-UHFFFAOYSA-N 2 2 285.355 0.927 20 0 CCADLP Cc1cc(NC2CC2)nc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001168736072 818541526 /nfs/dbraw/zinc/54/15/26/818541526.db2.gz JGMDHTNWYBZRGW-UHFFFAOYSA-N 2 2 289.387 0.953 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(N3CCCC3)nn2)CC1 ZINC001168735982 818541793 /nfs/dbraw/zinc/54/17/93/818541793.db2.gz HRIQPAWLUFOJDO-UHFFFAOYSA-N 2 2 289.387 0.671 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ncnc3c2C[N@H+](C)CC3)CC1 ZINC001168737207 818559716 /nfs/dbraw/zinc/55/97/16/818559716.db2.gz WOQAVISKJQOGBY-UHFFFAOYSA-N 3 2 289.387 0.059 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ncnc3c2C[N@@H+](C)CC3)CC1 ZINC001168737207 818559720 /nfs/dbraw/zinc/55/97/20/818559720.db2.gz WOQAVISKJQOGBY-UHFFFAOYSA-N 3 2 289.387 0.059 20 0 CCADLP Cn1nnc2ccc(NC(=[NH2+])N3CC[NH+](C)CC3)cc21 ZINC001168737465 818568192 /nfs/dbraw/zinc/56/81/92/818568192.db2.gz YMYOYGPPDHIJET-UHFFFAOYSA-N 2 2 273.344 0.562 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cc(F)cn3nc(N)nc23)CC1 ZINC001168740097 818595980 /nfs/dbraw/zinc/59/59/80/818595980.db2.gz CQILXTUDYPQCIH-UHFFFAOYSA-N 2 2 292.322 0.045 20 0 CCADLP CCOC(=O)c1ncncc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168740055 818596840 /nfs/dbraw/zinc/59/68/40/818596840.db2.gz BTZYDZXURSFLDM-UHFFFAOYSA-N 2 2 292.343 0.247 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccccc2CC(N)=O)CC1 ZINC001168740661 818607354 /nfs/dbraw/zinc/60/73/54/818607354.db2.gz MFIAOTRKOUUAHY-UHFFFAOYSA-N 2 2 275.356 0.308 20 0 CCADLP CC(C)[N@@H+]1CCO[C@](C)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001108107538 818836438 /nfs/dbraw/zinc/83/64/38/818836438.db2.gz CHGISPNWWZJFNK-OAHLLOKOSA-N 2 2 294.399 0.889 20 0 CCADLP CC(C)[N@H+]1CCO[C@](C)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001108107538 818836440 /nfs/dbraw/zinc/83/64/40/818836440.db2.gz CHGISPNWWZJFNK-OAHLLOKOSA-N 2 2 294.399 0.889 20 0 CCADLP COCC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033618701 818854440 /nfs/dbraw/zinc/85/44/40/818854440.db2.gz HSJVTGOWMIJXCF-GFCCVEGCSA-N 2 2 280.372 0.440 20 0 CCADLP COCC[N@H+]1CC[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033618701 818854445 /nfs/dbraw/zinc/85/44/45/818854445.db2.gz HSJVTGOWMIJXCF-GFCCVEGCSA-N 2 2 280.372 0.440 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@@H+](CCF)C1 ZINC001033663881 818875021 /nfs/dbraw/zinc/87/50/21/818875021.db2.gz AEWMHJVIXSVGIN-GFCCVEGCSA-N 2 2 268.336 0.694 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@H+](CCF)C1 ZINC001033663881 818875015 /nfs/dbraw/zinc/87/50/15/818875015.db2.gz AEWMHJVIXSVGIN-GFCCVEGCSA-N 2 2 268.336 0.694 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[N@@H+](C[C@H](C)O)C1 ZINC001034502745 819223007 /nfs/dbraw/zinc/22/30/07/819223007.db2.gz IASXULXDIOYXFF-AAEUAGOBSA-N 2 2 294.399 0.612 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[N@H+](C[C@H](C)O)C1 ZINC001034502745 819223014 /nfs/dbraw/zinc/22/30/14/819223014.db2.gz IASXULXDIOYXFF-AAEUAGOBSA-N 2 2 294.399 0.612 20 0 CCADLP CC[NH2+]C[C@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001034920628 819366588 /nfs/dbraw/zinc/36/65/88/819366588.db2.gz PNGWIBBUBHREEY-LLVKDONJSA-N 2 2 250.346 0.943 20 0 CCADLP CCC[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001273173289 820061751 /nfs/dbraw/zinc/06/17/51/820061751.db2.gz JZBUTWXKKYDDLS-UHFFFAOYSA-N 2 2 250.346 0.991 20 0 CCADLP C[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001079494881 820412888 /nfs/dbraw/zinc/41/28/88/820412888.db2.gz QQIATXNSPDRKKB-UTUOFQBUSA-N 2 2 257.353 0.487 20 0 CCADLP C[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001079494881 820412892 /nfs/dbraw/zinc/41/28/92/820412892.db2.gz QQIATXNSPDRKKB-UTUOFQBUSA-N 2 2 257.353 0.487 20 0 CCADLP C[C@@H]1C[NH+](CCF)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001079494881 820412897 /nfs/dbraw/zinc/41/28/97/820412897.db2.gz QQIATXNSPDRKKB-UTUOFQBUSA-N 2 2 257.353 0.487 20 0 CCADLP C[C@@H]1C[NH+](CCF)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001079494881 820412900 /nfs/dbraw/zinc/41/29/00/820412900.db2.gz QQIATXNSPDRKKB-UTUOFQBUSA-N 2 2 257.353 0.487 20 0 CCADLP C[C@@H]1C[N@H+](Cc2ccccn2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001081036158 820669664 /nfs/dbraw/zinc/66/96/64/820669664.db2.gz SPVUNFOVILXDGW-UKRRQHHQSA-N 2 2 299.378 0.915 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2ccccn2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001081036158 820669668 /nfs/dbraw/zinc/66/96/68/820669668.db2.gz SPVUNFOVILXDGW-UKRRQHHQSA-N 2 2 299.378 0.915 20 0 CCADLP COC(=O)CNc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001164565804 820986094 /nfs/dbraw/zinc/98/60/94/820986094.db2.gz IBJWXLDNWBMPGI-GFCCVEGCSA-N 2 2 263.341 0.805 20 0 CCADLP COC(=O)CNc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001164565804 820986098 /nfs/dbraw/zinc/98/60/98/820986098.db2.gz IBJWXLDNWBMPGI-GFCCVEGCSA-N 2 2 263.341 0.805 20 0 CCADLP CC(C)=CC[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001083998242 821173617 /nfs/dbraw/zinc/17/36/17/821173617.db2.gz XNWDOUSSTKOEMQ-KGLIPLIRSA-N 2 2 292.383 0.388 20 0 CCADLP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001083998242 821173622 /nfs/dbraw/zinc/17/36/22/821173622.db2.gz XNWDOUSSTKOEMQ-KGLIPLIRSA-N 2 2 292.383 0.388 20 0 CCADLP CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001085680452 821894099 /nfs/dbraw/zinc/89/40/99/821894099.db2.gz GZEBEZKRWXJSCC-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001085680452 821894109 /nfs/dbraw/zinc/89/41/09/821894109.db2.gz GZEBEZKRWXJSCC-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001085680506 821894411 /nfs/dbraw/zinc/89/44/11/821894411.db2.gz HPWMEBWSWUOYRH-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001085680506 821894421 /nfs/dbraw/zinc/89/44/21/821894421.db2.gz HPWMEBWSWUOYRH-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP Cn1ccc2c1nc[nH+]c2NC[C@@H]1C[N@H+](C)CCO1 ZINC001155193857 822085089 /nfs/dbraw/zinc/08/50/89/822085089.db2.gz LQNCIPTVYYRYPK-SNVBAGLBSA-N 2 2 261.329 0.711 20 0 CCADLP Cn1ccc2c1nc[nH+]c2NC[C@@H]1C[N@@H+](C)CCO1 ZINC001155193857 822085100 /nfs/dbraw/zinc/08/51/00/822085100.db2.gz LQNCIPTVYYRYPK-SNVBAGLBSA-N 2 2 261.329 0.711 20 0 CCADLP O=C(NC[C@H]1C[C@@H]([NH2+]CCF)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001086124753 822120375 /nfs/dbraw/zinc/12/03/75/822120375.db2.gz CQTNZSKGEKGSCL-UPJWGTAASA-N 2 2 294.374 0.899 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)C[N@H+](C)C2CCC2)o1 ZINC001129531748 837521808 /nfs/dbraw/zinc/52/18/08/837521808.db2.gz IRTZSKOFDGSXGP-UHFFFAOYSA-N 2 2 295.387 0.322 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)C[N@@H+](C)C2CCC2)o1 ZINC001129531748 837521815 /nfs/dbraw/zinc/52/18/15/837521815.db2.gz IRTZSKOFDGSXGP-UHFFFAOYSA-N 2 2 295.387 0.322 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[NH2+][C@@H](C)c1csnn1)[NH+](C)C ZINC001129950419 837590699 /nfs/dbraw/zinc/59/06/99/837590699.db2.gz TUQLPLUNHRQGCF-JQWIXIFHSA-N 2 2 299.444 0.891 20 0 CCADLP COC[C@H]1CCCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001157922608 837704805 /nfs/dbraw/zinc/70/48/05/837704805.db2.gz SKUHFLUEQGVWMH-YPMHNXCESA-N 2 2 280.372 0.317 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCC[NH2+]C[C@H]2CCOC2)c[nH+]1 ZINC001130167653 837714763 /nfs/dbraw/zinc/71/47/63/837714763.db2.gz ZNYZWXBLOVXULA-CYBMUJFWSA-N 2 2 294.399 0.669 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)[C@@H](CC)[NH+](C)C)s1 ZINC001130203555 837725741 /nfs/dbraw/zinc/72/57/41/837725741.db2.gz PIKFYAWMZLRTEJ-SNVBAGLBSA-N 2 2 299.444 0.647 20 0 CCADLP C[C@@H](F)CC[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130404209 837787333 /nfs/dbraw/zinc/78/73/33/837787333.db2.gz HRCLOVVYWMXTOD-VXGBXAGGSA-N 2 2 282.363 0.899 20 0 CCADLP O=C(NCC[NH2+]Cc1ccccn1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130405068 837787578 /nfs/dbraw/zinc/78/75/78/837787578.db2.gz WERPWMQQWJBIKK-CYBMUJFWSA-N 2 2 299.378 0.747 20 0 CCADLP C[C@H](F)CC[NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130404208 837786275 /nfs/dbraw/zinc/78/62/75/837786275.db2.gz HRCLOVVYWMXTOD-RYUDHWBXSA-N 2 2 282.363 0.899 20 0 CCADLP CC[C@@H](C[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)OC ZINC001130478136 837801422 /nfs/dbraw/zinc/80/14/22/837801422.db2.gz SXGWMYKLPFBJKQ-OLZOCXBDSA-N 2 2 294.399 0.576 20 0 CCADLP O=C(NCC[NH2+]Cc1cccnc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130481395 837805758 /nfs/dbraw/zinc/80/57/58/837805758.db2.gz RLAUNXFKQBYPIJ-CQSZACIVSA-N 2 2 299.378 0.747 20 0 CCADLP O=C(NCC[NH2+]CC1CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001130487201 837809018 /nfs/dbraw/zinc/80/90/18/837809018.db2.gz CPIUFSHUBMYLPP-LBPRGKRZSA-N 2 2 262.357 0.561 20 0 CCADLP COCCC[NH2+]CCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001130490704 837811134 /nfs/dbraw/zinc/81/11/34/837811134.db2.gz GBUSGQARTHBYAZ-LBPRGKRZSA-N 2 2 294.399 0.565 20 0 CCADLP COCCC[NH2+]CCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001130490704 837811148 /nfs/dbraw/zinc/81/11/48/837811148.db2.gz GBUSGQARTHBYAZ-LBPRGKRZSA-N 2 2 294.399 0.565 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC001183374965 844017362 /nfs/dbraw/zinc/01/73/62/844017362.db2.gz HHBWYFXUHDAPKJ-KLPPZKSPSA-N 2 2 250.346 0.419 20 0 CCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@]1(C)C[NH2+]CCCO ZINC001183596567 844051053 /nfs/dbraw/zinc/05/10/53/844051053.db2.gz UZBDXJVVRRMMFL-UKRRQHHQSA-N 2 2 294.399 0.340 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001183731606 844081994 /nfs/dbraw/zinc/08/19/94/844081994.db2.gz RLIJTXUEFJQPGI-QWHCGFSZSA-N 2 2 292.383 0.282 20 0 CCADLP Cc1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c2[nH]ccc21 ZINC001169070780 836124495 /nfs/dbraw/zinc/12/44/95/836124495.db2.gz AZUNQYZZLLVRKC-SNVBAGLBSA-N 2 2 271.324 0.919 20 0 CCADLP Cc1[nH+]ccn1-c1ccc(-n2cncc2C[C@@H]([NH3+])CO)nn1 ZINC001169073053 836125547 /nfs/dbraw/zinc/12/55/47/836125547.db2.gz YSLQSYOMBMKWSD-LLVKDONJSA-N 2 2 299.338 0.019 20 0 CCADLP COc1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1OC ZINC001169071281 836125717 /nfs/dbraw/zinc/12/57/17/836125717.db2.gz JMLWESKSHLVGAB-SECBINFHSA-N 2 2 278.312 0.147 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc2c(nn1)CCCC2 ZINC001169072609 836126026 /nfs/dbraw/zinc/12/60/26/836126026.db2.gz PZYHIDKOKVXAQV-LLVKDONJSA-N 2 2 273.340 0.403 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cccc2c1NC(=O)CO2 ZINC001169074279 836126940 /nfs/dbraw/zinc/12/69/40/836126940.db2.gz IZLLMIRHSUWAKA-SECBINFHSA-N 2 2 288.307 0.065 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cccc2cnncc21 ZINC001169074737 836128687 /nfs/dbraw/zinc/12/86/87/836128687.db2.gz LZXNWORFFUEBRO-LLVKDONJSA-N 2 2 269.308 0.678 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNc1ccc2c(n1)C[NH2+]CC2 ZINC001169654129 836409550 /nfs/dbraw/zinc/40/95/50/836409550.db2.gz VXDTZYNWGMXPKF-GFCCVEGCSA-N 2 2 262.357 0.470 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNc1ccc2c(n1)C[NH2+]CC2 ZINC001169654129 836409553 /nfs/dbraw/zinc/40/95/53/836409553.db2.gz VXDTZYNWGMXPKF-GFCCVEGCSA-N 2 2 262.357 0.470 20 0 CCADLP COCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001108785712 836523054 /nfs/dbraw/zinc/52/30/54/836523054.db2.gz NAUQGOIVXVGGDX-AVGNSLFASA-N 2 2 292.383 0.568 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001112966014 836980520 /nfs/dbraw/zinc/98/05/20/836980520.db2.gz RNJFKYKBSIFCGI-HNNXBMFYSA-N 2 2 297.443 0.896 20 0 CCADLP CCc1nc(C[NH2+]CCCNC(=O)CC[N@H+](C)CC)no1 ZINC001170211445 837254958 /nfs/dbraw/zinc/25/49/58/837254958.db2.gz LEAGSIBBNWJGDN-UHFFFAOYSA-N 2 2 297.403 0.570 20 0 CCADLP CCc1nc(C[NH2+]CCCNC(=O)CC[N@@H+](C)CC)no1 ZINC001170211445 837254949 /nfs/dbraw/zinc/25/49/49/837254949.db2.gz LEAGSIBBNWJGDN-UHFFFAOYSA-N 2 2 297.403 0.570 20 0 CCADLP C[C@@H](O)CCC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001184710025 844276049 /nfs/dbraw/zinc/27/60/49/844276049.db2.gz NMUAHFMNBVVFOL-ZIAGYGMSSA-N 2 2 294.399 0.625 20 0 CCADLP CO[C@@H](C)C[NH2+]CCNC(=O)c1cccc2[nH+]ccn21 ZINC001131270472 838028984 /nfs/dbraw/zinc/02/89/84/838028984.db2.gz KUOKFZCTGKFTOS-NSHDSACASA-N 2 2 276.340 0.689 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)Cn2c[nH+]cc2C)[nH]1 ZINC001131385791 838072577 /nfs/dbraw/zinc/07/25/77/838072577.db2.gz WTJXBABKCTXNGV-SNVBAGLBSA-N 2 2 291.359 0.085 20 0 CCADLP CO[C@H](C)C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132080052 838313093 /nfs/dbraw/zinc/31/30/93/838313093.db2.gz ZMTLCCFKMYTLCH-LLVKDONJSA-N 2 2 254.334 0.014 20 0 CCADLP CO[C@@H](C)C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132080053 838313167 /nfs/dbraw/zinc/31/31/67/838313167.db2.gz ZMTLCCFKMYTLCH-NSHDSACASA-N 2 2 254.334 0.014 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]CC[C@H]1CCCO1 ZINC001132082722 838313946 /nfs/dbraw/zinc/31/39/46/838313946.db2.gz UQGMDFJMLSQZLD-CYBMUJFWSA-N 2 2 280.372 0.548 20 0 CCADLP Cc1cc(C[NH2+]CCNC(=O)CCn2cc[nH+]c2)sn1 ZINC001132082817 838314511 /nfs/dbraw/zinc/31/45/11/838314511.db2.gz WLEIGSQXSUERIU-UHFFFAOYSA-N 2 2 293.396 0.944 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C)c1ncccn1 ZINC001133823778 838725128 /nfs/dbraw/zinc/72/51/28/838725128.db2.gz OKMMOUSSBOVKEQ-QWHCGFSZSA-N 2 2 291.399 0.728 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C)c1ncccn1 ZINC001133823778 838725132 /nfs/dbraw/zinc/72/51/32/838725132.db2.gz OKMMOUSSBOVKEQ-QWHCGFSZSA-N 2 2 291.399 0.728 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)C[N@@H+]2CC[C@H](C)C2)[nH]1 ZINC001133846107 838745591 /nfs/dbraw/zinc/74/55/91/838745591.db2.gz UFKBLNYHPNHTGX-WDEREUQCSA-N 2 2 294.403 0.222 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)C[N@H+]2CC[C@H](C)C2)[nH]1 ZINC001133846107 838745600 /nfs/dbraw/zinc/74/56/00/838745600.db2.gz UFKBLNYHPNHTGX-WDEREUQCSA-N 2 2 294.403 0.222 20 0 CCADLP C[N@H+](CC(=O)NCC[NH2+]Cc1nncs1)CC(C)(C)C ZINC001133908294 838773050 /nfs/dbraw/zinc/77/30/50/838773050.db2.gz LHCYUPGYNLGFOL-UHFFFAOYSA-N 2 2 299.444 0.722 20 0 CCADLP C[N@@H+](CC(=O)NCC[NH2+]Cc1nncs1)CC(C)(C)C ZINC001133908294 838773052 /nfs/dbraw/zinc/77/30/52/838773052.db2.gz LHCYUPGYNLGFOL-UHFFFAOYSA-N 2 2 299.444 0.722 20 0 CCADLP C[C@@H]1C[C@@H](C[NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)CCO1 ZINC001134393008 838964697 /nfs/dbraw/zinc/96/46/97/838964697.db2.gz GCLDKHQPEHVYSJ-NEPJUHHUSA-N 2 2 280.372 0.473 20 0 CCADLP CO[C@@H](C)C[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001134498471 838994305 /nfs/dbraw/zinc/99/43/05/838994305.db2.gz HVQXITSJBYJWLR-NEPJUHHUSA-N 2 2 268.361 0.575 20 0 CCADLP C[C@@H](CC(=O)NCC[NH2+]CC1CC1)n1cc[nH+]c1 ZINC001134498868 838994731 /nfs/dbraw/zinc/99/47/31/838994731.db2.gz QLCRBHMHNUKDFN-NSHDSACASA-N 2 2 250.346 0.950 20 0 CCADLP COC[C@@H](C)[NH2+]CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001135072515 839151657 /nfs/dbraw/zinc/15/16/57/839151657.db2.gz YXQONPXALFFAHW-GHMZBOCLSA-N 2 2 268.361 0.329 20 0 CCADLP COC[C@@H](C)[NH2+]CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001135072515 839151662 /nfs/dbraw/zinc/15/16/62/839151662.db2.gz YXQONPXALFFAHW-GHMZBOCLSA-N 2 2 268.361 0.329 20 0 CCADLP CCOCC[NH2+]CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001135072553 839151783 /nfs/dbraw/zinc/15/17/83/839151783.db2.gz ZWWIZBATZUGMEQ-LLVKDONJSA-N 2 2 268.361 0.331 20 0 CCADLP CCOCC[NH2+]CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001135072553 839151786 /nfs/dbraw/zinc/15/17/86/839151786.db2.gz ZWWIZBATZUGMEQ-LLVKDONJSA-N 2 2 268.361 0.331 20 0 CCADLP Cc1cccn2cc(CC(=O)NCC[NH2+]CCCO)[nH+]c12 ZINC001135312911 839208404 /nfs/dbraw/zinc/20/84/04/839208404.db2.gz DNYZOHHCZBSUTI-UHFFFAOYSA-N 2 2 290.367 0.273 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CCO[C@H]1CC1(F)F ZINC001135757398 839392923 /nfs/dbraw/zinc/39/29/23/839392923.db2.gz BGZIATXKGKGDEQ-VIFPVBQESA-N 2 2 288.298 0.082 20 0 CCADLP COc1ccc(C[NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001135760321 839394727 /nfs/dbraw/zinc/39/47/27/839394727.db2.gz LZHGIUXTPSEMMQ-UHFFFAOYSA-N 2 2 288.351 0.867 20 0 CCADLP C[C@H](C[C@@H](C)[NH2+]CCCO)NC(=O)Cc1c[nH+]cn1C ZINC001135949258 839477544 /nfs/dbraw/zinc/47/75/44/839477544.db2.gz KLUWWVWYSXKKMA-VXGBXAGGSA-N 2 2 282.388 0.218 20 0 CCADLP C[C@H](C[C@H](C)[NH2+]CCCO)NC(=O)CCc1c[nH+]cn1C ZINC001136054481 839508738 /nfs/dbraw/zinc/50/87/38/839508738.db2.gz JSTVJGFOWRNXDA-QWHCGFSZSA-N 2 2 296.415 0.608 20 0 CCADLP F[C@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCN[C@@H](C(F)(F)F)C1 ZINC001246089583 839603392 /nfs/dbraw/zinc/60/33/92/839603392.db2.gz AETDHMHHYNRGDO-AATLWQCWSA-N 2 2 269.286 0.959 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH2+]CCCn2cc[nH+]c2)CN1 ZINC001246103321 839616484 /nfs/dbraw/zinc/61/64/84/839616484.db2.gz XPRZVVONGKDNFI-RYUDHWBXSA-N 2 2 266.345 0.156 20 0 CCADLP CCOC(=O)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]2)CCN1 ZINC001246188341 839668697 /nfs/dbraw/zinc/66/86/97/839668697.db2.gz WGVGBKAAJQXBKC-TUAOUCFPSA-N 2 2 255.362 0.012 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H](N[C@]2(C)CCC[NH2+]C2)C[NH2+]1 ZINC001246189525 839671020 /nfs/dbraw/zinc/67/10/20/839671020.db2.gz NBZQQDLLDRPKJO-IACUBPJLSA-N 2 2 269.389 0.402 20 0 CCADLP CCOC(=O)CN(CC[NH3+])c1c[nH+]c(N(C)C)cc1C ZINC001170994679 839676705 /nfs/dbraw/zinc/67/67/05/839676705.db2.gz XHDNDIYPGJMAIC-UHFFFAOYSA-N 2 2 280.372 0.784 20 0 CCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1C[NH2+]CCCO ZINC001185787377 844460415 /nfs/dbraw/zinc/46/04/15/844460415.db2.gz GALKBRBKAYNNBG-KGLIPLIRSA-N 2 2 294.399 0.340 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@@H]1[NH2+][C@H]1Cc2cccc(Cl)c2C1 ZINC001246306473 839777921 /nfs/dbraw/zinc/77/79/21/839777921.db2.gz KPKKXBBVTAICFK-MJVIPROJSA-N 2 2 266.772 0.977 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CC(C)C)C[C@H]1O ZINC001090763565 839786458 /nfs/dbraw/zinc/78/64/58/839786458.db2.gz JHYAWFYWTXYZLW-TZMCWYRMSA-N 2 2 294.399 0.468 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CC(C)C)C[C@H]1O ZINC001090763565 839786463 /nfs/dbraw/zinc/78/64/63/839786463.db2.gz JHYAWFYWTXYZLW-TZMCWYRMSA-N 2 2 294.399 0.468 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2C[NH2+]CCC2(C)C)CN1 ZINC001246324878 839794334 /nfs/dbraw/zinc/79/43/34/839794334.db2.gz HKEYPNGMJPOXOF-WOPDTQHZSA-N 2 2 269.389 0.258 20 0 CCADLP CC(C)OC(=O)CC[C@H](C)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246497728 839877016 /nfs/dbraw/zinc/87/70/16/839877016.db2.gz PYTCYOBMNLOOOI-NWDGAFQWSA-N 2 2 257.378 0.258 20 0 CCADLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(O)cn1 ZINC001144265712 839991221 /nfs/dbraw/zinc/99/12/21/839991221.db2.gz XNGNMUNYHMIYSV-UHFFFAOYSA-N 2 2 264.373 0.466 20 0 CCADLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc(O)cn1 ZINC001144265712 839991229 /nfs/dbraw/zinc/99/12/29/839991229.db2.gz XNGNMUNYHMIYSV-UHFFFAOYSA-N 2 2 264.373 0.466 20 0 CCADLP COC(=O)C[C@H](C)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001160532781 839993188 /nfs/dbraw/zinc/99/31/88/839993188.db2.gz FVQREHICSUERDG-NSHDSACASA-N 2 2 278.356 0.855 20 0 CCADLP C[NH+]1CCN(C2CN(Cc3[nH+]cn4ccccc34)C2)CC1 ZINC001144626824 840101877 /nfs/dbraw/zinc/10/18/77/840101877.db2.gz DAVJMCBTVXTUJL-UHFFFAOYSA-N 2 2 285.395 0.766 20 0 CCADLP C[N@@H+]1CCC[C@@H]([NH+]2CCN[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246645562 840228158 /nfs/dbraw/zinc/22/81/58/840228158.db2.gz UZPOJPVDSBPZDF-KGLIPLIRSA-N 3 2 252.406 0.108 20 0 CCADLP C[N@H+]1CCC[C@@H]([NH+]2CCN[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246645562 840228164 /nfs/dbraw/zinc/22/81/64/840228164.db2.gz UZPOJPVDSBPZDF-KGLIPLIRSA-N 3 2 252.406 0.108 20 0 CCADLP C[NH+]1CCC[C@@H]([N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246645562 840228176 /nfs/dbraw/zinc/22/81/76/840228176.db2.gz UZPOJPVDSBPZDF-KGLIPLIRSA-N 3 2 252.406 0.108 20 0 CCADLP C[NH+]1CCC[C@@H]([N@H+]2CCN[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246645562 840228186 /nfs/dbraw/zinc/22/81/86/840228186.db2.gz UZPOJPVDSBPZDF-KGLIPLIRSA-N 3 2 252.406 0.108 20 0 CCADLP C[C@@H](C[C@H](C)[NH2+]CCCO)NC(=O)CCCn1cc[nH+]c1 ZINC001146716312 840350992 /nfs/dbraw/zinc/35/09/92/840350992.db2.gz ZCPJGKKULBIVOY-KBPBESRZSA-N 2 2 296.415 0.919 20 0 CCADLP C[C@H](C[C@@H](C)[NH2+]Cc1cnon1)NC(=O)Cn1cc[nH+]c1 ZINC001146770457 840358843 /nfs/dbraw/zinc/35/88/43/840358843.db2.gz IHIGEAQHGJSXLU-GHMZBOCLSA-N 2 2 292.343 0.339 20 0 CCADLP [NH3+][C@@H]1C[N@H+](CC2(c3ccccc3)CCOCC2)C[C@H]1O ZINC001205347974 844538272 /nfs/dbraw/zinc/53/82/72/844538272.db2.gz VOKFPWCHFBFKRI-HUUCEWRRSA-N 2 2 276.380 0.739 20 0 CCADLP [NH3+][C@@H]1C[N@@H+](CC2(c3ccccc3)CCOCC2)C[C@H]1O ZINC001205347974 844538276 /nfs/dbraw/zinc/53/82/76/844538276.db2.gz VOKFPWCHFBFKRI-HUUCEWRRSA-N 2 2 276.380 0.739 20 0 CCADLP C1[C@@H]2C[NH2+]C[C@H]2[N@@H+]1C1CCC([NH+]2CCOCC2)CC1 ZINC001246916946 840526444 /nfs/dbraw/zinc/52/64/44/840526444.db2.gz JMPJZQJQLZUFPV-VXGQWTEUSA-N 3 2 265.401 0.533 20 0 CCADLP C1[C@@H]2C[NH2+]C[C@H]2[N@H+]1C1CCC([NH+]2CCOCC2)CC1 ZINC001246916946 840526449 /nfs/dbraw/zinc/52/64/49/840526449.db2.gz JMPJZQJQLZUFPV-VXGQWTEUSA-N 3 2 265.401 0.533 20 0 CCADLP Cc1nnsc1C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147871559 840708278 /nfs/dbraw/zinc/70/82/78/840708278.db2.gz BTCDWJKCPXPOND-UHFFFAOYSA-N 2 2 294.384 0.029 20 0 CCADLP CC[C@@H](C[NH2+]CCNC(=O)Cc1c[nH+]cn1C)OC ZINC001147876962 840711931 /nfs/dbraw/zinc/71/19/31/840711931.db2.gz ANZLXJQBHISKHS-LBPRGKRZSA-N 2 2 268.361 0.093 20 0 CCADLP CC1CC(C[NH2+]CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001147877197 840712387 /nfs/dbraw/zinc/71/23/87/840712387.db2.gz GJMXIHDNJCGSOC-UHFFFAOYSA-N 2 2 264.373 0.715 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186575869 844570405 /nfs/dbraw/zinc/57/04/05/844570405.db2.gz GULBCUUZINGLSK-GHMZBOCLSA-N 2 2 266.345 0.178 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1OCC ZINC001087048932 840955059 /nfs/dbraw/zinc/95/50/59/840955059.db2.gz HLPIBEAYBALNJQ-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[NH+](CCF)C[C@@H]1O ZINC001099899625 840957460 /nfs/dbraw/zinc/95/74/60/840957460.db2.gz VZFFTBZCNQLILI-NEPJUHHUSA-N 2 2 289.395 0.238 20 0 CCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[NH+](CCF)C[C@@H]1O ZINC001099899625 840957463 /nfs/dbraw/zinc/95/74/63/840957463.db2.gz VZFFTBZCNQLILI-NEPJUHHUSA-N 2 2 289.395 0.238 20 0 CCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001099899625 840957466 /nfs/dbraw/zinc/95/74/66/840957466.db2.gz VZFFTBZCNQLILI-NEPJUHHUSA-N 2 2 289.395 0.238 20 0 CCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001099899625 840957471 /nfs/dbraw/zinc/95/74/71/840957471.db2.gz VZFFTBZCNQLILI-NEPJUHHUSA-N 2 2 289.395 0.238 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[N@H+](C)C(C)(C)CC1 ZINC000712674962 841104537 /nfs/dbraw/zinc/10/45/37/841104537.db2.gz WQAZHUIGNVHZJF-UHFFFAOYSA-N 2 2 265.361 0.988 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[N@@H+](C)C(C)(C)CC1 ZINC000712674962 841104540 /nfs/dbraw/zinc/10/45/40/841104540.db2.gz WQAZHUIGNVHZJF-UHFFFAOYSA-N 2 2 265.361 0.988 20 0 CCADLP Cc1nc(NCCNC(=O)C[N@H+]2CCC[C@H]2C)cc[nH+]1 ZINC001094114801 841535344 /nfs/dbraw/zinc/53/53/44/841535344.db2.gz JTHBZCVRBQKHIR-LLVKDONJSA-N 2 2 277.372 0.797 20 0 CCADLP Cc1nc(NCCNC(=O)C[N@@H+]2CCC[C@H]2C)cc[nH+]1 ZINC001094114801 841535354 /nfs/dbraw/zinc/53/53/54/841535354.db2.gz JTHBZCVRBQKHIR-LLVKDONJSA-N 2 2 277.372 0.797 20 0 CCADLP Cc1nc(NCCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)cc[nH+]1 ZINC001094118967 841537915 /nfs/dbraw/zinc/53/79/15/841537915.db2.gz NRDBFQOMQNALKR-CMPLNLGQSA-N 2 2 277.372 0.511 20 0 CCADLP Cc1nc(NCCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)cc[nH+]1 ZINC001094118967 841537921 /nfs/dbraw/zinc/53/79/21/841537921.db2.gz NRDBFQOMQNALKR-CMPLNLGQSA-N 2 2 277.372 0.511 20 0 CCADLP Cc1nc(NCCNC(=O)[C@H]2CCCC[N@H+]2C)cc[nH+]1 ZINC001094248436 841568631 /nfs/dbraw/zinc/56/86/31/841568631.db2.gz AJTRKAPYFKVHIY-GFCCVEGCSA-N 2 2 277.372 0.797 20 0 CCADLP Cc1nc(NCCNC(=O)[C@H]2CCCC[N@@H+]2C)cc[nH+]1 ZINC001094248436 841568637 /nfs/dbraw/zinc/56/86/37/841568637.db2.gz AJTRKAPYFKVHIY-GFCCVEGCSA-N 2 2 277.372 0.797 20 0 CCADLP CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC001036910264 841673674 /nfs/dbraw/zinc/67/36/74/841673674.db2.gz QQMJUZYLCPLYLA-OLZOCXBDSA-N 2 2 262.357 0.826 20 0 CCADLP CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC001036910264 841673678 /nfs/dbraw/zinc/67/36/78/841673678.db2.gz QQMJUZYLCPLYLA-OLZOCXBDSA-N 2 2 262.357 0.826 20 0 CCADLP CCN1CC[C@H]([NH2+]CCCn2cc[nH+]c2)CC1=O ZINC001172020309 841798907 /nfs/dbraw/zinc/79/89/07/841798907.db2.gz GHNOBBGLIHGIGO-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP COC(=O)[C@H]1CCC[C@H]([NH2+]C2(CO)CC[NH+](C)CC2)C1 ZINC001172610860 841943632 /nfs/dbraw/zinc/94/36/32/841943632.db2.gz KVAACPVLHZLBTA-STQMWFEESA-N 2 2 284.400 0.765 20 0 CCADLP COC(=O)[C@@H]1CCC[C@H](NC(=[NH2+])N2CC[NH+](C)CC2)CC1 ZINC001172769174 841971694 /nfs/dbraw/zinc/97/16/94/841971694.db2.gz APDUDJFNVFJBQE-OLZOCXBDSA-N 2 2 296.415 0.880 20 0 CCADLP CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001095007762 841995837 /nfs/dbraw/zinc/99/58/37/841995837.db2.gz SFLWSVHTUANUKI-LOWVWBTDSA-N 2 2 262.357 0.941 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCCC[NH2+]CC1CC1 ZINC001175003416 842223572 /nfs/dbraw/zinc/22/35/72/842223572.db2.gz QCEKZJJLYJNWCL-UHFFFAOYSA-N 2 2 264.373 0.859 20 0 CCADLP OCC[NH+]1CCN(c2cc(Nc3[nH]cc[nH+]3)ncn2)CC1 ZINC001176080020 842311094 /nfs/dbraw/zinc/31/10/94/842311094.db2.gz OOQBQLZDWKPWKT-UHFFFAOYSA-N 2 2 289.343 0.058 20 0 CCADLP Cc1cnc(C[NH2+]CCCNC(=O)Cn2cc[nH+]c2C)o1 ZINC001176126118 842331812 /nfs/dbraw/zinc/33/18/12/842331812.db2.gz VXXCXXCXQFBZRS-UHFFFAOYSA-N 2 2 291.355 0.784 20 0 CCADLP C[N@@H+]1CCCN(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001176883909 842442593 /nfs/dbraw/zinc/44/25/93/842442593.db2.gz QKFIENIFAKDEJG-UHFFFAOYSA-N 2 2 279.388 0.027 20 0 CCADLP C[N@H+]1CCCN(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001176883909 842442600 /nfs/dbraw/zinc/44/26/00/842442600.db2.gz QKFIENIFAKDEJG-UHFFFAOYSA-N 2 2 279.388 0.027 20 0 CCADLP CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]21 ZINC001177081993 842487361 /nfs/dbraw/zinc/48/73/61/842487361.db2.gz TYQQBTGNELICSB-ZIAGYGMSSA-N 2 2 295.427 0.650 20 0 CCADLP CC[N@H+]1CCO[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]21 ZINC001177081993 842487369 /nfs/dbraw/zinc/48/73/69/842487369.db2.gz TYQQBTGNELICSB-ZIAGYGMSSA-N 2 2 295.427 0.650 20 0 CCADLP CC[NH2+]CCCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001177063681 842497921 /nfs/dbraw/zinc/49/79/21/842497921.db2.gz ARIRLPNKKAJVGP-ZDUSSCGKSA-N 2 2 264.373 0.800 20 0 CCADLP COC[C@H](C)[NH2+]CCCNC(=O)CCCn1cc[nH+]c1 ZINC001177351518 842562081 /nfs/dbraw/zinc/56/20/81/842562081.db2.gz GFNJGYOUURDOGO-ZDUSSCGKSA-N 2 2 282.388 0.794 20 0 CCADLP COCCC[NH2+]CCCNC(=O)CCCn1cc[nH+]c1 ZINC001177351844 842562840 /nfs/dbraw/zinc/56/28/40/842562840.db2.gz URKOLRKOSJSIAE-UHFFFAOYSA-N 2 2 282.388 0.796 20 0 CCADLP CC[C@@H](C[NH2+]CCCNC(=O)Cn1cc[nH+]c1)OC ZINC001177405527 842578806 /nfs/dbraw/zinc/57/88/06/842578806.db2.gz NXWRMERBBNMQGM-LBPRGKRZSA-N 2 2 268.361 0.404 20 0 CCADLP C[C@H](C(=O)N1CC([N@H+](C)[C@H]2CCOC2)C1)n1cc[nH+]c1 ZINC001177925247 842711612 /nfs/dbraw/zinc/71/16/12/842711612.db2.gz DFWZDWLRMIOJNR-NEPJUHHUSA-N 2 2 278.356 0.376 20 0 CCADLP C[C@H](C(=O)N1CC([N@@H+](C)[C@H]2CCOC2)C1)n1cc[nH+]c1 ZINC001177925247 842711616 /nfs/dbraw/zinc/71/16/16/842711616.db2.gz DFWZDWLRMIOJNR-NEPJUHHUSA-N 2 2 278.356 0.376 20 0 CCADLP COCCC1([NH3+])CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001178000431 842723290 /nfs/dbraw/zinc/72/32/90/842723290.db2.gz NVXASFMFDAMJHK-UHFFFAOYSA-N 2 2 280.372 0.699 20 0 CCADLP [NH3+]CCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)c1cccnc1 ZINC001178119819 842762761 /nfs/dbraw/zinc/76/27/61/842762761.db2.gz WYABDCNYPVNBIX-LBPRGKRZSA-N 2 2 285.351 0.832 20 0 CCADLP C[C@@H](O)C[NH2+]CCCCCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001178649520 842892299 /nfs/dbraw/zinc/89/22/99/842892299.db2.gz NYKOWCGBHITZLV-CYBMUJFWSA-N 2 2 296.415 0.989 20 0 CCADLP C[C@@H](O)C[NH2+]CCCCCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001178649520 842892309 /nfs/dbraw/zinc/89/23/09/842892309.db2.gz NYKOWCGBHITZLV-CYBMUJFWSA-N 2 2 296.415 0.989 20 0 CCADLP COCCNC(=O)C1([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001178914651 842938237 /nfs/dbraw/zinc/93/82/37/842938237.db2.gz ZHSWGKOLJFAJON-CHWSQXEVSA-N 2 2 281.400 0.498 20 0 CCADLP COCCNC(=O)C1([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC001178914651 842938247 /nfs/dbraw/zinc/93/82/47/842938247.db2.gz ZHSWGKOLJFAJON-CHWSQXEVSA-N 2 2 281.400 0.498 20 0 CCADLP C[NH+]1CCN(CC(=O)N(C(N)=[NH2+])c2ccccc2F)CC1 ZINC001178953881 842948337 /nfs/dbraw/zinc/94/83/37/842948337.db2.gz SCBCFJIDIRHKBL-UHFFFAOYSA-N 2 2 293.346 0.300 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCCCCC[NH2+]CC(N)=O ZINC001180158879 843113176 /nfs/dbraw/zinc/11/31/76/843113176.db2.gz SPMNYLRNFNYTCA-UHFFFAOYSA-N 2 2 295.387 0.012 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@H]1C ZINC001180268915 843137285 /nfs/dbraw/zinc/13/72/85/843137285.db2.gz JGRLTWUYTIOJBV-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+](CCc2ccccn2)CC1)[NH+](C)C ZINC001180864647 843330616 /nfs/dbraw/zinc/33/06/16/843330616.db2.gz ZAFVEXYHBHLFGK-AWEZNQCLSA-N 2 2 290.411 0.718 20 0 CCADLP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)Cc1cc[nH+]c(N)c1 ZINC001181249441 843427519 /nfs/dbraw/zinc/42/75/19/843427519.db2.gz ZHZBLSWRNWAPOM-NSHDSACASA-N 2 2 298.350 0.647 20 0 CCADLP C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3cc[nH+]c(N)c3)C[C@@H]21 ZINC001181256350 843447388 /nfs/dbraw/zinc/44/73/88/843447388.db2.gz OPTFAPKORLAVPZ-STQMWFEESA-N 2 2 274.368 0.759 20 0 CCADLP C[N@H+]1CCC[C@H]2CN(C(=O)Cc3cc[nH+]c(N)c3)C[C@@H]21 ZINC001181256350 843447398 /nfs/dbraw/zinc/44/73/98/843447398.db2.gz OPTFAPKORLAVPZ-STQMWFEESA-N 2 2 274.368 0.759 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](C(=O)NCC[NH+]2CCOC[C@H]2C)C1 ZINC001181981767 843659590 /nfs/dbraw/zinc/65/95/90/843659590.db2.gz ASOIRTGMANOTPN-ZIAGYGMSSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](C(=O)NCC[NH+]2CCOC[C@H]2C)C1 ZINC001181981767 843659595 /nfs/dbraw/zinc/65/95/95/843659595.db2.gz ASOIRTGMANOTPN-ZIAGYGMSSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)[NH+]1CC[C@@H](C(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC001181981767 843659599 /nfs/dbraw/zinc/65/95/99/843659599.db2.gz ASOIRTGMANOTPN-ZIAGYGMSSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)[NH+]1CC[C@@H](C(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC001181981767 843659605 /nfs/dbraw/zinc/65/96/05/843659605.db2.gz ASOIRTGMANOTPN-ZIAGYGMSSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@]1(C[NH3+])CCCC[N@H+](CC2=CS[C@H](N)N2)C1 ZINC001206541979 843928600 /nfs/dbraw/zinc/92/86/00/843928600.db2.gz ONNACNHYSPOUGQ-VXGBXAGGSA-N 2 2 256.419 0.857 20 0 CCADLP C[C@]1(C[NH3+])CCCC[N@@H+](CC2=CS[C@H](N)N2)C1 ZINC001206541979 843928604 /nfs/dbraw/zinc/92/86/04/843928604.db2.gz ONNACNHYSPOUGQ-VXGBXAGGSA-N 2 2 256.419 0.857 20 0 CCADLP COC(=O)c1csc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)n1 ZINC001205256502 843968709 /nfs/dbraw/zinc/96/87/09/843968709.db2.gz OXUAWEBPINTKKV-ZDUSSCGKSA-N 2 2 299.396 0.605 20 0 CCADLP COC(=O)c1csc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)n1 ZINC001205256502 843968713 /nfs/dbraw/zinc/96/87/13/843968713.db2.gz OXUAWEBPINTKKV-ZDUSSCGKSA-N 2 2 299.396 0.605 20 0 CCADLP CO[C@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001191632091 845699521 /nfs/dbraw/zinc/69/95/21/845699521.db2.gz BPWRDOJTXIVHKH-ZIAGYGMSSA-N 2 2 294.399 0.841 20 0 CCADLP CO[C@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001191632091 845699524 /nfs/dbraw/zinc/69/95/24/845699524.db2.gz BPWRDOJTXIVHKH-ZIAGYGMSSA-N 2 2 294.399 0.841 20 0 CCADLP CO[C@@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192552261 845869152 /nfs/dbraw/zinc/86/91/52/845869152.db2.gz YRIBDOZZVMXEDN-WCQYABFASA-N 2 2 280.372 0.520 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192552261 845869154 /nfs/dbraw/zinc/86/91/54/845869154.db2.gz YRIBDOZZVMXEDN-WCQYABFASA-N 2 2 280.372 0.520 20 0 CCADLP CC[C@H](C[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)OC ZINC001194460902 846297034 /nfs/dbraw/zinc/29/70/34/846297034.db2.gz STQUHEGRDMOYSJ-UONOGXRCSA-N 2 2 294.399 0.841 20 0 CCADLP CC[C@H](C[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)OC ZINC001194460902 846297040 /nfs/dbraw/zinc/29/70/40/846297040.db2.gz STQUHEGRDMOYSJ-UONOGXRCSA-N 2 2 294.399 0.841 20 0 CCADLP C[N@H+](CCO)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194448303 846302247 /nfs/dbraw/zinc/30/22/47/846302247.db2.gz AVXDSFDJYMDPQK-CYBMUJFWSA-N 2 2 280.372 0.188 20 0 CCADLP C[N@@H+](CCO)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194448303 846302255 /nfs/dbraw/zinc/30/22/55/846302255.db2.gz AVXDSFDJYMDPQK-CYBMUJFWSA-N 2 2 280.372 0.188 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2cncc(F)c2)C1 ZINC001205673887 846367857 /nfs/dbraw/zinc/36/78/57/846367857.db2.gz VGWDYHKCKPEOOS-ZDUSSCGKSA-N 2 2 253.321 0.896 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2cncc(F)c2)C1 ZINC001205673887 846367867 /nfs/dbraw/zinc/36/78/67/846367867.db2.gz VGWDYHKCKPEOOS-ZDUSSCGKSA-N 2 2 253.321 0.896 20 0 CCADLP COCC[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001203803707 846453062 /nfs/dbraw/zinc/45/30/62/846453062.db2.gz OFJZIAQOSDLUFM-STQMWFEESA-N 2 2 292.383 0.547 20 0 CCADLP CC(C)=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195128753 846468871 /nfs/dbraw/zinc/46/88/71/846468871.db2.gz MZOYSIVGUMKNRY-ZIAGYGMSSA-N 2 2 292.383 0.401 20 0 CCADLP CC(C)=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195128753 846468878 /nfs/dbraw/zinc/46/88/78/846468878.db2.gz MZOYSIVGUMKNRY-ZIAGYGMSSA-N 2 2 292.383 0.401 20 0 CCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O ZINC001195709272 846606619 /nfs/dbraw/zinc/60/66/19/846606619.db2.gz ZFQNFYRUWJWUBJ-WBIIUDBISA-N 2 2 289.807 0.242 20 0 CCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O ZINC001195709272 846606622 /nfs/dbraw/zinc/60/66/22/846606622.db2.gz ZFQNFYRUWJWUBJ-WBIIUDBISA-N 2 2 289.807 0.242 20 0 CCADLP C[NH+](C)CCC[N@@H+]1CCC[C@@]12CCN(C1COC1)C2=O ZINC001273713959 846688568 /nfs/dbraw/zinc/68/85/68/846688568.db2.gz NEDUEHUJLGLRPG-HNNXBMFYSA-N 2 2 281.400 0.404 20 0 CCADLP C[NH+](C)CCC[N@H+]1CCC[C@@]12CCN(C1COC1)C2=O ZINC001273713959 846688573 /nfs/dbraw/zinc/68/85/73/846688573.db2.gz NEDUEHUJLGLRPG-HNNXBMFYSA-N 2 2 281.400 0.404 20 0 CCADLP CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001196498165 846765387 /nfs/dbraw/zinc/76/53/87/846765387.db2.gz CADCPOXXBYUOMZ-MGPQQGTHSA-N 2 2 294.399 0.796 20 0 CCADLP CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001196498165 846765395 /nfs/dbraw/zinc/76/53/95/846765395.db2.gz CADCPOXXBYUOMZ-MGPQQGTHSA-N 2 2 294.399 0.796 20 0 CCADLP CCn1ccnc1C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC001200161377 847550211 /nfs/dbraw/zinc/55/02/11/847550211.db2.gz FXYRCWUXJIBSRD-CYBMUJFWSA-N 2 2 265.405 0.629 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CCCO[C@@H](C[NH2+]CCF)C1 ZINC001200367312 847615172 /nfs/dbraw/zinc/61/51/72/847615172.db2.gz NJULMKQEWALGTR-LBPRGKRZSA-N 2 2 298.362 0.519 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCCO[C@H](C[NH2+]CCF)C1 ZINC001201104576 847722574 /nfs/dbraw/zinc/72/25/74/847722574.db2.gz PRTYDSDVLIHELC-CYBMUJFWSA-N 2 2 298.362 0.450 20 0 CCADLP CC(C)[NH+]1CC2(C1)COCC(=O)N2CCn1cc[nH+]c1 ZINC001273922256 847843369 /nfs/dbraw/zinc/84/33/69/847843369.db2.gz PVOCNIBCIUZPDG-UHFFFAOYSA-N 2 2 278.356 0.205 20 0 CCADLP COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]cn1C ZINC001115188664 847961811 /nfs/dbraw/zinc/96/18/11/847961811.db2.gz OBVNTAZVYFTSTK-NHAGDIPZSA-N 2 2 292.383 0.046 20 0 CCADLP COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]cn1C ZINC001115188664 847961818 /nfs/dbraw/zinc/96/18/18/847961818.db2.gz OBVNTAZVYFTSTK-NHAGDIPZSA-N 2 2 292.383 0.046 20 0 CCADLP COC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]c[nH+]1 ZINC001114389302 848032852 /nfs/dbraw/zinc/03/28/52/848032852.db2.gz QKHFAHYRIRHUNQ-MUYACECFSA-N 2 2 292.383 0.424 20 0 CCADLP COC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]c[nH+]1 ZINC001114389302 848032859 /nfs/dbraw/zinc/03/28/59/848032859.db2.gz QKHFAHYRIRHUNQ-MUYACECFSA-N 2 2 292.383 0.424 20 0 CCADLP COC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]c[nH]1 ZINC001114389302 848032863 /nfs/dbraw/zinc/03/28/63/848032863.db2.gz QKHFAHYRIRHUNQ-MUYACECFSA-N 2 2 292.383 0.424 20 0 CCADLP COC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]c[nH]1 ZINC001114389302 848032870 /nfs/dbraw/zinc/03/28/70/848032870.db2.gz QKHFAHYRIRHUNQ-MUYACECFSA-N 2 2 292.383 0.424 20 0 CCADLP CC(C)[C@@H](C[NH+](C)C)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865800932 848040546 /nfs/dbraw/zinc/04/05/46/848040546.db2.gz TZBDTQBAKYHAOB-GEXIGZQTSA-N 2 2 283.416 0.577 20 0 CCADLP CCOC(=O)COCC[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000717408628 848255268 /nfs/dbraw/zinc/25/52/68/848255268.db2.gz XEQVEOWXLNAHPU-OLZOCXBDSA-N 2 2 270.373 0.735 20 0 CCADLP CCOC(=O)COCC[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000717408628 848255272 /nfs/dbraw/zinc/25/52/72/848255272.db2.gz XEQVEOWXLNAHPU-OLZOCXBDSA-N 2 2 270.373 0.735 20 0 CCADLP CCOC(=O)COCC[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000717408628 848255282 /nfs/dbraw/zinc/25/52/82/848255282.db2.gz XEQVEOWXLNAHPU-OLZOCXBDSA-N 2 2 270.373 0.735 20 0 CCADLP CCOC(=O)COCC[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000717408628 848255286 /nfs/dbraw/zinc/25/52/86/848255286.db2.gz XEQVEOWXLNAHPU-OLZOCXBDSA-N 2 2 270.373 0.735 20 0 CCADLP C[NH+]1CCC(C(=O)NC/C=C\C[NH2+]Cc2ccon2)CC1 ZINC001274332437 848453206 /nfs/dbraw/zinc/45/32/06/848453206.db2.gz TUWANAYOWTYXER-IHWYPQMZSA-N 2 2 292.383 0.778 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC/C=C/C[NH2+]C[C@@H]1CCOC1 ZINC001274511332 848493652 /nfs/dbraw/zinc/49/36/52/848493652.db2.gz PJDBTLTXJKKVQQ-IBUXWKBASA-N 2 2 292.383 0.261 20 0 CCADLP C[C@H](C[NH2+]C/C=C\Cl)NC(=O)Cc1[nH]cc[nH+]1 ZINC001274968032 848604161 /nfs/dbraw/zinc/60/41/61/848604161.db2.gz SKHLJCFUTYAWKE-PKRMOACSSA-N 2 2 256.737 0.799 20 0 CCADLP COCC[N@@H+]1CCCC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001274981766 848606189 /nfs/dbraw/zinc/60/61/89/848606189.db2.gz VFUJVRODOYYRMI-UHFFFAOYSA-N 2 2 278.400 0.927 20 0 CCADLP COCC[N@H+]1CCCC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001274981766 848606191 /nfs/dbraw/zinc/60/61/91/848606191.db2.gz VFUJVRODOYYRMI-UHFFFAOYSA-N 2 2 278.400 0.927 20 0 CCADLP c1cn(CCN2CCO[C@H]3C[N@H+](CC4CC4)C[C@H]32)c[nH+]1 ZINC001275138069 848647635 /nfs/dbraw/zinc/64/76/35/848647635.db2.gz IFARYVJKBAWVQH-CABCVRRESA-N 2 2 276.384 0.678 20 0 CCADLP c1cn(CCN2CCO[C@H]3C[N@@H+](CC4CC4)C[C@H]32)c[nH+]1 ZINC001275138069 848647638 /nfs/dbraw/zinc/64/76/38/848647638.db2.gz IFARYVJKBAWVQH-CABCVRRESA-N 2 2 276.384 0.678 20 0 CCADLP C(C[NH+]1CCOCC1)N1CC2(C1)C[NH+](C1CCCC1)C2 ZINC001275990678 848883906 /nfs/dbraw/zinc/88/39/06/848883906.db2.gz VMEUQDHSEXGKII-UHFFFAOYSA-N 2 2 279.428 0.879 20 0 CCADLP CN(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnco1 ZINC001276157612 848942119 /nfs/dbraw/zinc/94/21/19/848942119.db2.gz NAYZDRJEQAYJGG-YHWZYXNKSA-N 2 2 292.383 0.848 20 0 CCADLP CN(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnco1 ZINC001276157612 848942124 /nfs/dbraw/zinc/94/21/24/848942124.db2.gz NAYZDRJEQAYJGG-YHWZYXNKSA-N 2 2 292.383 0.848 20 0 CCADLP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1cnoc1)C2 ZINC001276253575 848973770 /nfs/dbraw/zinc/97/37/70/848973770.db2.gz BRYSJXRXUAUNLL-UHFFFAOYSA-N 2 2 250.346 0.354 20 0 CCADLP Cn1cnc(C[N@@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)c1 ZINC001276272863 848979238 /nfs/dbraw/zinc/97/92/38/848979238.db2.gz MKOHCXFXUHMVGG-DZGCQCFKSA-N 2 2 277.416 0.488 20 0 CCADLP Cn1cnc(C[N@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)c1 ZINC001276272863 848979243 /nfs/dbraw/zinc/97/92/43/848979243.db2.gz MKOHCXFXUHMVGG-DZGCQCFKSA-N 2 2 277.416 0.488 20 0 CCADLP C[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000037800855 849255629 /nfs/dbraw/zinc/25/56/29/849255629.db2.gz QFQHGPIFDWTJQQ-JTQLQIEISA-N 2 2 253.371 0.740 20 0 CCADLP CCC[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000381187317 849741816 /nfs/dbraw/zinc/74/18/16/849741816.db2.gz VNKLXLZUXBWSDO-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001038347437 849861089 /nfs/dbraw/zinc/86/10/89/849861089.db2.gz WGVOMZNGCPTKQR-NEPJUHHUSA-N 2 2 262.357 0.971 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001038347437 849861094 /nfs/dbraw/zinc/86/10/94/849861094.db2.gz WGVOMZNGCPTKQR-NEPJUHHUSA-N 2 2 262.357 0.971 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001041856088 850511779 /nfs/dbraw/zinc/51/17/79/850511779.db2.gz YBVGBFWKXDZNJI-ZFWWWQNUSA-N 2 2 292.383 0.188 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001041856088 850511791 /nfs/dbraw/zinc/51/17/91/850511791.db2.gz YBVGBFWKXDZNJI-ZFWWWQNUSA-N 2 2 292.383 0.188 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CC[N@H+](CCF)[C@H]2C1 ZINC001042310628 850611559 /nfs/dbraw/zinc/61/15/59/850611559.db2.gz VKXNJRPMEQUENV-OCCSQVGLSA-N 2 2 294.374 0.855 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CC[N@@H+](CCF)[C@H]2C1 ZINC001042310628 850611563 /nfs/dbraw/zinc/61/15/63/850611563.db2.gz VKXNJRPMEQUENV-OCCSQVGLSA-N 2 2 294.374 0.855 20 0 CCADLP CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1C[NH+](CC2CCCC2)C1 ZINC001042570837 850700208 /nfs/dbraw/zinc/70/02/08/850700208.db2.gz MQPCYZOZAWOMLJ-OAHLLOKOSA-N 2 2 295.427 0.650 20 0 CCADLP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1C[NH+](CC2CCCC2)C1 ZINC001042570837 850700216 /nfs/dbraw/zinc/70/02/16/850700216.db2.gz MQPCYZOZAWOMLJ-OAHLLOKOSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@H](O)C[NH+]1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001043219612 850838032 /nfs/dbraw/zinc/83/80/32/850838032.db2.gz JTVHZGCFQISHGL-LBPRGKRZSA-N 2 2 281.400 0.138 20 0 CCADLP C[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001043464863 850876442 /nfs/dbraw/zinc/87/64/42/850876442.db2.gz VWCPPZNJGFBELR-DOMZBBRYSA-N 2 2 295.427 0.384 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCF)CCN1C(=O)Cn1cc[nH+]c1 ZINC001044879428 851171737 /nfs/dbraw/zinc/17/17/37/851171737.db2.gz RYYZDELRWHUHEM-NWDGAFQWSA-N 2 2 268.336 0.822 20 0 CCADLP CC[NH2+]C[C@@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001045290767 851231683 /nfs/dbraw/zinc/23/16/83/851231683.db2.gz MYVLCIKDXYHGNX-NSHDSACASA-N 2 2 250.346 0.861 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]1C[NH2+]C[C@@H]1CCOC1 ZINC001045329218 851235156 /nfs/dbraw/zinc/23/51/56/851235156.db2.gz BXVWEZKOPQYNEF-KBPBESRZSA-N 2 2 292.383 0.500 20 0 CCADLP CC(C)[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046221146 851429087 /nfs/dbraw/zinc/42/90/87/851429087.db2.gz XLKKHCMUYXAADP-GXTWGEPZSA-N 2 2 269.389 0.306 20 0 CCADLP CC(C)[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046221146 851429091 /nfs/dbraw/zinc/42/90/91/851429091.db2.gz XLKKHCMUYXAADP-GXTWGEPZSA-N 2 2 269.389 0.306 20 0 CCADLP CC(C)[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001046221146 851429100 /nfs/dbraw/zinc/42/91/00/851429100.db2.gz XLKKHCMUYXAADP-GXTWGEPZSA-N 2 2 269.389 0.306 20 0 CCADLP CC(C)[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001046221146 851429109 /nfs/dbraw/zinc/42/91/09/851429109.db2.gz XLKKHCMUYXAADP-GXTWGEPZSA-N 2 2 269.389 0.306 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@H+](CCCF)C[C@@H]2C1 ZINC001049248365 852204743 /nfs/dbraw/zinc/20/47/43/852204743.db2.gz VUXIKVMVJWIGSK-BETUJISGSA-N 2 2 280.347 0.633 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@@H+](CCCF)C[C@@H]2C1 ZINC001049248365 852204758 /nfs/dbraw/zinc/20/47/58/852204758.db2.gz VUXIKVMVJWIGSK-BETUJISGSA-N 2 2 280.347 0.633 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCF)C1 ZINC001096912249 852465038 /nfs/dbraw/zinc/46/50/38/852465038.db2.gz DALFUFOLOUIOIX-YIYPIFLZSA-N 2 2 299.390 0.398 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCF)C1 ZINC001096912249 852465041 /nfs/dbraw/zinc/46/50/41/852465041.db2.gz DALFUFOLOUIOIX-YIYPIFLZSA-N 2 2 299.390 0.398 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCF)C1 ZINC001096912249 852465045 /nfs/dbraw/zinc/46/50/45/852465045.db2.gz DALFUFOLOUIOIX-YIYPIFLZSA-N 2 2 299.390 0.398 20 0 CCADLP CO[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001052823756 852658749 /nfs/dbraw/zinc/65/87/49/852658749.db2.gz NDMKNYGAENDKFD-OLZOCXBDSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@H](C)C[N@H+]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001052823756 852658755 /nfs/dbraw/zinc/65/87/55/852658755.db2.gz NDMKNYGAENDKFD-OLZOCXBDSA-N 2 2 294.399 0.958 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[N@@H+](CCCO)CC1 ZINC001052969979 852678412 /nfs/dbraw/zinc/67/84/12/852678412.db2.gz CGBUWMDCCRMKPT-CYBMUJFWSA-N 2 2 280.372 0.236 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[N@H+](CCCO)CC1 ZINC001052969979 852678418 /nfs/dbraw/zinc/67/84/18/852678418.db2.gz CGBUWMDCCRMKPT-CYBMUJFWSA-N 2 2 280.372 0.236 20 0 CCADLP CC(C)[NH+]1CC2(C1)CN(C(=O)[C@H]1CCC[N@@H+]1C)CCO2 ZINC001053190047 852705610 /nfs/dbraw/zinc/70/56/10/852705610.db2.gz JFRPNSLDNJWTEX-CYBMUJFWSA-N 2 2 281.400 0.402 20 0 CCADLP CC(C)[NH+]1CC2(C1)CN(C(=O)[C@H]1CCC[N@H+]1C)CCO2 ZINC001053190047 852705615 /nfs/dbraw/zinc/70/56/15/852705615.db2.gz JFRPNSLDNJWTEX-CYBMUJFWSA-N 2 2 281.400 0.402 20 0 CCADLP CC[C@@H](C(=O)N1CCOC2(C[NH+](CC3CC3)C2)C1)[NH+](C)C ZINC001053431859 852743358 /nfs/dbraw/zinc/74/33/58/852743358.db2.gz OLSLTOPJVQJGPF-AWEZNQCLSA-N 2 2 295.427 0.650 20 0 CCADLP CC(C)[NH+]1CC2(C1)CN(C(=O)C[C@@H]1CC[N@H+](C)C1)CCO2 ZINC001053507642 852752515 /nfs/dbraw/zinc/75/25/15/852752515.db2.gz QYJADGGXRFIFHO-AWEZNQCLSA-N 2 2 295.427 0.650 20 0 CCADLP CC(C)[NH+]1CC2(C1)CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)CCO2 ZINC001053507642 852752518 /nfs/dbraw/zinc/75/25/18/852752518.db2.gz QYJADGGXRFIFHO-AWEZNQCLSA-N 2 2 295.427 0.650 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)CCO2 ZINC001053540848 852756050 /nfs/dbraw/zinc/75/60/50/852756050.db2.gz JDMSFEGOALXXME-OKILXGFUSA-N 2 2 295.427 0.792 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)CCO2 ZINC001053540848 852756054 /nfs/dbraw/zinc/75/60/54/852756054.db2.gz JDMSFEGOALXXME-OKILXGFUSA-N 2 2 295.427 0.792 20 0 CCADLP CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)O2 ZINC001053619192 852770876 /nfs/dbraw/zinc/77/08/76/852770876.db2.gz NDLXTNJWGXPDAR-KBPBESRZSA-N 2 2 295.427 0.840 20 0 CCADLP CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)O2 ZINC001053619192 852770870 /nfs/dbraw/zinc/77/08/70/852770870.db2.gz NDLXTNJWGXPDAR-KBPBESRZSA-N 2 2 295.427 0.840 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)CC1CC[NH+](C)CC1)CO2 ZINC001053945547 852853148 /nfs/dbraw/zinc/85/31/48/852853148.db2.gz ZQWIZZRUJSJSQY-AWEZNQCLSA-N 2 2 295.427 0.698 20 0 CCADLP CC[NH2+]C[C@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCO1 ZINC001051861634 853651817 /nfs/dbraw/zinc/65/18/17/853651817.db2.gz KKCPDIQXXRIAAY-AAEUAGOBSA-N 2 2 280.372 0.425 20 0 CCADLP CC[NH2+]C[C@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCO1 ZINC001051861634 853651821 /nfs/dbraw/zinc/65/18/21/853651821.db2.gz KKCPDIQXXRIAAY-AAEUAGOBSA-N 2 2 280.372 0.425 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CCO1 ZINC001051902409 853656701 /nfs/dbraw/zinc/65/67/01/853656701.db2.gz DXKGHKWIRJJBNJ-LLVKDONJSA-N 2 2 280.372 0.524 20 0 CCADLP COC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001073081162 854527914 /nfs/dbraw/zinc/52/79/14/854527914.db2.gz XGCMUEMKQWVTGH-GFCCVEGCSA-N 2 2 292.383 0.521 20 0 CCADLP COC[C@@H](C)[N@H+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001073081162 854527925 /nfs/dbraw/zinc/52/79/25/854527925.db2.gz XGCMUEMKQWVTGH-GFCCVEGCSA-N 2 2 292.383 0.521 20 0 CCADLP CO[C@@H](C)C[NH2+]C1CC(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001100391667 855159603 /nfs/dbraw/zinc/15/96/03/855159603.db2.gz WRARMLFHXKAFJS-DCBWTQNWSA-N 2 2 294.399 0.862 20 0 CCADLP CO[C@@H](C)C[NH2+]C1CC(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001100391667 855159607 /nfs/dbraw/zinc/15/96/07/855159607.db2.gz WRARMLFHXKAFJS-DCBWTQNWSA-N 2 2 294.399 0.862 20 0 CCADLP CC(C)[NH2+]C1CC(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001100871260 855233164 /nfs/dbraw/zinc/23/31/64/855233164.db2.gz JLQXCHLJZUAHMR-UHFFFAOYSA-N 2 2 264.373 0.855 20 0 CCADLP Cc1nc(NCCN(C)C(=O)[C@@H](C2CC2)[NH+](C)C)cc[nH+]1 ZINC001101820666 855371370 /nfs/dbraw/zinc/37/13/70/855371370.db2.gz XSUAOGLQRDIJOX-CQSZACIVSA-N 2 2 291.399 0.996 20 0 CCADLP C[C@@H]1C[N@H+](CCF)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102406526 855433698 /nfs/dbraw/zinc/43/36/98/855433698.db2.gz XZAATFLBAZXPJP-GHMZBOCLSA-N 2 2 268.336 0.606 20 0 CCADLP C[C@@H]1C[N@@H+](CCF)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102406526 855433702 /nfs/dbraw/zinc/43/37/02/855433702.db2.gz XZAATFLBAZXPJP-GHMZBOCLSA-N 2 2 268.336 0.606 20 0 CCADLP Cc1nc(N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)cc[nH+]1 ZINC001112336030 855626320 /nfs/dbraw/zinc/62/63/20/855626320.db2.gz LGJSDGCDSXHXMK-WCQYABFASA-N 2 2 291.399 0.996 20 0 CCADLP CCOCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC001115341439 855663837 /nfs/dbraw/zinc/66/38/37/855663837.db2.gz CDXZIGYNPJJYOK-NHAGDIPZSA-N 2 2 292.383 0.356 20 0 CCADLP CCOCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC001115341439 855663841 /nfs/dbraw/zinc/66/38/41/855663841.db2.gz CDXZIGYNPJJYOK-NHAGDIPZSA-N 2 2 292.383 0.356 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCC1([NH2+]CCO)CCCCC1 ZINC001115510523 855677352 /nfs/dbraw/zinc/67/73/52/855677352.db2.gz VXHZCRVECUECRU-UHFFFAOYSA-N 2 2 294.399 0.743 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)CCCCC[NH3+] ZINC001118133776 856171918 /nfs/dbraw/zinc/17/19/18/856171918.db2.gz BQTZPJNVDLQDGF-LBPRGKRZSA-N 2 2 257.378 0.342 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)CCCCC[NH3+] ZINC001118133776 856171922 /nfs/dbraw/zinc/17/19/22/856171922.db2.gz BQTZPJNVDLQDGF-LBPRGKRZSA-N 2 2 257.378 0.342 20 0 CCADLP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cccnc1 ZINC001118607814 856363584 /nfs/dbraw/zinc/36/35/84/856363584.db2.gz DLFGVQXYCFQVNT-SECBINFHSA-N 2 2 259.313 0.887 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC001119484405 856702062 /nfs/dbraw/zinc/70/20/62/856702062.db2.gz YPKPMSHUXFAJMA-LLVKDONJSA-N 2 2 263.345 0.456 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]CCCN1CCC[NH+](C)CC1)C1CC1 ZINC001120488067 857089959 /nfs/dbraw/zinc/08/99/59/857089959.db2.gz PXCGSZNYANXVQV-MRXNPFEDSA-N 3 2 298.475 0.059 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]CCCN1CCC[NH+](C)CC1)C1CC1 ZINC001120488067 857089952 /nfs/dbraw/zinc/08/99/52/857089952.db2.gz PXCGSZNYANXVQV-MRXNPFEDSA-N 3 2 298.475 0.059 20 0 CCADLP C[NH+](C[C@H](O)C[NH2+]CCCN1CCC[N@H+](C)CC1)C1CC1 ZINC001120488067 857089963 /nfs/dbraw/zinc/08/99/63/857089963.db2.gz PXCGSZNYANXVQV-MRXNPFEDSA-N 3 2 298.475 0.059 20 0 CCADLP C[NH+](C[C@H](O)C[NH2+]CCCN1CCC[N@@H+](C)CC1)C1CC1 ZINC001120488067 857089969 /nfs/dbraw/zinc/08/99/69/857089969.db2.gz PXCGSZNYANXVQV-MRXNPFEDSA-N 3 2 298.475 0.059 20 0 CCADLP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001392938605 912276263 /nfs/dbraw/zinc/27/62/63/912276263.db2.gz KAHOZAGDSFAEMS-GHMZBOCLSA-N 2 2 280.372 0.208 20 0 CCADLP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001392938605 912276274 /nfs/dbraw/zinc/27/62/74/912276274.db2.gz KAHOZAGDSFAEMS-GHMZBOCLSA-N 2 2 280.372 0.208 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001393521893 912625700 /nfs/dbraw/zinc/62/57/00/912625700.db2.gz OYOGGPUAQNGYQE-CHWSQXEVSA-N 2 2 271.405 0.410 20 0 CCADLP CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001393521893 912625718 /nfs/dbraw/zinc/62/57/18/912625718.db2.gz OYOGGPUAQNGYQE-CHWSQXEVSA-N 2 2 271.405 0.410 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001324089190 912661428 /nfs/dbraw/zinc/66/14/28/912661428.db2.gz NGEQQERDDURGJG-CHWSQXEVSA-N 2 2 294.399 0.578 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCO ZINC001324234022 912731119 /nfs/dbraw/zinc/73/11/19/912731119.db2.gz HALONLOICRZBED-YNEHKIRRSA-N 2 2 292.383 0.097 20 0 CCADLP COC[C@@H](C)[NH2+]CC1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001393902712 912826069 /nfs/dbraw/zinc/82/60/69/912826069.db2.gz FOMIAEUYMVDYNI-VOMCLLRMSA-N 2 2 280.372 0.472 20 0 CCADLP C[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)[C@@H](C)[NH2+]CCF ZINC001393950052 912874368 /nfs/dbraw/zinc/87/43/68/912874368.db2.gz MKOLKCRIARWZPG-NXEZZACHSA-N 2 2 286.351 0.802 20 0 CCADLP CN(C)c1ncccc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC001325313738 913339302 /nfs/dbraw/zinc/33/93/02/913339302.db2.gz BTRDWNLDQUGXRO-AWEZNQCLSA-N 2 2 264.373 0.304 20 0 CCADLP CN(C)c1ncccc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC001325313738 913339316 /nfs/dbraw/zinc/33/93/16/913339316.db2.gz BTRDWNLDQUGXRO-AWEZNQCLSA-N 2 2 264.373 0.304 20 0 CCADLP CC(C)N(CC[N@H+](C)CC1CC1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001394802142 913442148 /nfs/dbraw/zinc/44/21/48/913442148.db2.gz QYOAMTQSDPSQST-HNNXBMFYSA-N 2 2 297.443 0.896 20 0 CCADLP CC(C)N(CC[N@@H+](C)CC1CC1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001394802142 913442156 /nfs/dbraw/zinc/44/21/56/913442156.db2.gz QYOAMTQSDPSQST-HNNXBMFYSA-N 2 2 297.443 0.896 20 0 CCADLP CC(C)N(CC[NH+](C)CC1CC1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001394802142 913442164 /nfs/dbraw/zinc/44/21/64/913442164.db2.gz QYOAMTQSDPSQST-HNNXBMFYSA-N 2 2 297.443 0.896 20 0 CCADLP CC(C)N(CC[NH+](C)CC1CC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001394802142 913442171 /nfs/dbraw/zinc/44/21/71/913442171.db2.gz QYOAMTQSDPSQST-HNNXBMFYSA-N 2 2 297.443 0.896 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)CNC(=O)C[NH+]2CCCC2)s1 ZINC001418315562 891786732 /nfs/dbraw/zinc/78/67/32/891786732.db2.gz JQNGBRUVXBWINZ-JTQLQIEISA-N 2 2 297.428 0.537 20 0 CCADLP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1csnn1 ZINC001419831514 892100065 /nfs/dbraw/zinc/10/00/65/892100065.db2.gz GOICIEYTEASEOY-JTQLQIEISA-N 2 2 297.428 0.474 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001481096509 892159307 /nfs/dbraw/zinc/15/93/07/892159307.db2.gz RUMXMRBIPKHXNO-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001481096509 892159315 /nfs/dbraw/zinc/15/93/15/892159315.db2.gz RUMXMRBIPKHXNO-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001481096509 892159326 /nfs/dbraw/zinc/15/93/26/892159326.db2.gz RUMXMRBIPKHXNO-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001481096509 892159340 /nfs/dbraw/zinc/15/93/40/892159340.db2.gz RUMXMRBIPKHXNO-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP CC[NH2+]CCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001481248465 892432962 /nfs/dbraw/zinc/43/29/62/892432962.db2.gz PROIZOAYNGKJOL-NSHDSACASA-N 2 2 250.346 0.513 20 0 CCADLP C[N@H+]1CC=C(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001325996660 913685878 /nfs/dbraw/zinc/68/58/78/913685878.db2.gz WYXVRWIBRLPHFV-CYBMUJFWSA-N 2 2 274.368 0.824 20 0 CCADLP C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001325996660 913685894 /nfs/dbraw/zinc/68/58/94/913685894.db2.gz WYXVRWIBRLPHFV-CYBMUJFWSA-N 2 2 274.368 0.824 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC1C[NH+](Cc2cc(C)no2)C1 ZINC001481656256 892974856 /nfs/dbraw/zinc/97/48/56/892974856.db2.gz OTMHTJFKZZEBHM-UHFFFAOYSA-N 2 2 294.399 0.873 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC1C[NH+](Cc2cc(C)no2)C1 ZINC001481656256 892974863 /nfs/dbraw/zinc/97/48/63/892974863.db2.gz OTMHTJFKZZEBHM-UHFFFAOYSA-N 2 2 294.399 0.873 20 0 CCADLP COCC[NH2+]CC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001326059982 913726997 /nfs/dbraw/zinc/72/69/97/913726997.db2.gz HFFJIRIOZWJQDM-CYBMUJFWSA-N 2 2 294.399 0.437 20 0 CCADLP CCN(CC[NH2+]CCF)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001497465874 893194217 /nfs/dbraw/zinc/19/42/17/893194217.db2.gz LZPNOZSHBSWIER-NSHDSACASA-N 2 2 270.352 0.996 20 0 CCADLP C[C@@H](O)C[NH2+]CC1(NC(=O)Cc2c[nH+]cn2C)CCCC1 ZINC001481910585 893256639 /nfs/dbraw/zinc/25/66/39/893256639.db2.gz SCJSYMPMKNNTBP-GFCCVEGCSA-N 2 2 294.399 0.362 20 0 CCADLP COC[C@H](C)[NH2+]C[C@](C)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001481944810 893284503 /nfs/dbraw/zinc/28/45/03/893284503.db2.gz UWDHLQSZQHOQIQ-NHYWBVRUSA-N 2 2 294.399 0.862 20 0 CCADLP CCc1noc(C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001498108111 893284639 /nfs/dbraw/zinc/28/46/39/893284639.db2.gz CDRRDCZKKTZCIC-JTQLQIEISA-N 2 2 283.376 0.178 20 0 CCADLP C[C@H](O)C[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CCCC1 ZINC001482230872 893613275 /nfs/dbraw/zinc/61/32/75/893613275.db2.gz BZESZMIUWHGNAD-NSHDSACASA-N 2 2 280.372 0.352 20 0 CCADLP C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1[NH2+]CCCO ZINC001482422689 893970341 /nfs/dbraw/zinc/97/03/41/893970341.db2.gz KZAJXIZVQMRLFL-GXTWGEPZSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1[NH2+]CCCO ZINC001482422689 893970351 /nfs/dbraw/zinc/97/03/51/893970351.db2.gz KZAJXIZVQMRLFL-GXTWGEPZSA-N 2 2 294.399 0.551 20 0 CCADLP COCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001482497085 894159019 /nfs/dbraw/zinc/15/90/19/894159019.db2.gz BJCUGHPMJOADDV-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP CCOC(=O)c1cc(C[NH2+]CCCn2cc[nH+]c2)[nH]n1 ZINC001326288624 913867625 /nfs/dbraw/zinc/86/76/25/913867625.db2.gz OSBAONHTOOQUGZ-UHFFFAOYSA-N 2 2 277.328 0.963 20 0 CCADLP CC[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001482628647 894427773 /nfs/dbraw/zinc/42/77/73/894427773.db2.gz DRDJLIZKVGPHPY-VXGBXAGGSA-N 2 2 264.373 0.934 20 0 CCADLP CC[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001482628647 894427779 /nfs/dbraw/zinc/42/77/79/894427779.db2.gz DRDJLIZKVGPHPY-VXGBXAGGSA-N 2 2 264.373 0.934 20 0 CCADLP COCC[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001483022822 894812521 /nfs/dbraw/zinc/81/25/21/894812521.db2.gz VQCZJLVOHZGUMB-JDEDCZITSA-N 2 2 278.356 0.422 20 0 CCADLP COCC[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001483022822 894812532 /nfs/dbraw/zinc/81/25/32/894812532.db2.gz VQCZJLVOHZGUMB-JDEDCZITSA-N 2 2 278.356 0.422 20 0 CCADLP COCC[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001483022823 894812665 /nfs/dbraw/zinc/81/26/65/894812665.db2.gz VQCZJLVOHZGUMB-JGLYPNHGSA-N 2 2 278.356 0.422 20 0 CCADLP COCC[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001483022823 894812675 /nfs/dbraw/zinc/81/26/75/894812675.db2.gz VQCZJLVOHZGUMB-JGLYPNHGSA-N 2 2 278.356 0.422 20 0 CCADLP CO[C@H](C)C[NH2+]C/C=C/CNC(=O)Cc1c[nH]c[nH+]1 ZINC001483064183 894869625 /nfs/dbraw/zinc/86/96/25/894869625.db2.gz HIBBGFAJIYOWDS-PGLGOXFNSA-N 2 2 266.345 0.249 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC/C=C\C[NH2+]C/C=C/Cl ZINC001483101077 894901264 /nfs/dbraw/zinc/90/12/64/894901264.db2.gz ULAVIWYEZVUWAN-BXTBVDPRSA-N 2 2 268.748 0.898 20 0 CCADLP C[C@H](C[NH2+]CC1CC1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001483144474 895025483 /nfs/dbraw/zinc/02/54/83/895025483.db2.gz PFCWNXLWDKGHQL-YPMHNXCESA-N 2 2 276.384 0.950 20 0 CCADLP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1nnc(C)[nH]1)[NH+](C)C ZINC001483186091 895074738 /nfs/dbraw/zinc/07/47/38/895074738.db2.gz MEYKYZVUSVKZFM-MWLCHTKSSA-N 2 2 282.392 0.048 20 0 CCADLP CNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001424986196 895097809 /nfs/dbraw/zinc/09/78/09/895097809.db2.gz WKHICBSGPURZFG-GFCCVEGCSA-N 2 2 298.431 0.043 20 0 CCADLP CNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001424986196 895097826 /nfs/dbraw/zinc/09/78/26/895097826.db2.gz WKHICBSGPURZFG-GFCCVEGCSA-N 2 2 298.431 0.043 20 0 CCADLP CO[C@H](C[NH2+]C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1)C1CCC1 ZINC001483278104 895408233 /nfs/dbraw/zinc/40/82/33/895408233.db2.gz RRCIDLIQZHMUSW-WCQYABFASA-N 2 2 294.399 0.862 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@H]1C[NH2+]CCCO ZINC001483444033 895570731 /nfs/dbraw/zinc/57/07/31/895570731.db2.gz RCLOQRSXNYGXAT-QWHCGFSZSA-N 2 2 294.399 0.599 20 0 CCADLP CCC[NH+]1CC(O)(CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001484276405 896304754 /nfs/dbraw/zinc/30/47/54/896304754.db2.gz SFEPDRCFKSJWOH-GFCCVEGCSA-N 2 2 289.395 0.239 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCO[C@H](C[NH2+]CCF)C1 ZINC001484681014 896527067 /nfs/dbraw/zinc/52/70/67/896527067.db2.gz RWWRZLGOCWDKJT-IJLUTSLNSA-N 2 2 296.346 0.300 20 0 CCADLP CC[N@H+](C)CCC(=O)NC[C@H]1COCC[NH+]1CC ZINC001326659301 914082257 /nfs/dbraw/zinc/08/22/57/914082257.db2.gz XNQWDKGGNJAELO-LBPRGKRZSA-N 2 2 257.378 0.165 20 0 CCADLP CC[N@@H+](C)CCC(=O)NC[C@H]1COCC[NH+]1CC ZINC001326659301 914082279 /nfs/dbraw/zinc/08/22/79/914082279.db2.gz XNQWDKGGNJAELO-LBPRGKRZSA-N 2 2 257.378 0.165 20 0 CCADLP CC[NH+](C)CCC(=O)NC[C@H]1COCC[N@@H+]1CC ZINC001326659301 914082297 /nfs/dbraw/zinc/08/22/97/914082297.db2.gz XNQWDKGGNJAELO-LBPRGKRZSA-N 2 2 257.378 0.165 20 0 CCADLP CC[NH+](C)CCC(=O)NC[C@H]1COCC[N@H+]1CC ZINC001326659301 914082313 /nfs/dbraw/zinc/08/23/13/914082313.db2.gz XNQWDKGGNJAELO-LBPRGKRZSA-N 2 2 257.378 0.165 20 0 CCADLP CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001397230376 914104610 /nfs/dbraw/zinc/10/46/10/914104610.db2.gz WYRUYNSFBYEGDH-CQSZACIVSA-N 2 2 294.399 0.648 20 0 CCADLP CCC[NH+]1CC([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001485531532 897110503 /nfs/dbraw/zinc/11/05/03/897110503.db2.gz UUILJQDLUJAGNX-JTQLQIEISA-N 2 2 250.346 0.799 20 0 CCADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@]3(CC(=O)N(C)C3=O)C2)n1C ZINC001272775384 897651137 /nfs/dbraw/zinc/65/11/37/897651137.db2.gz ZGUFGZJVDMMXQP-OAHLLOKOSA-N 2 2 290.367 0.699 20 0 CCADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@]3(CC(=O)N(C)C3=O)C2)n1C ZINC001272775384 897651145 /nfs/dbraw/zinc/65/11/45/897651145.db2.gz ZGUFGZJVDMMXQP-OAHLLOKOSA-N 2 2 290.367 0.699 20 0 CCADLP CCOC(=O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001272889280 898131094 /nfs/dbraw/zinc/13/10/94/898131094.db2.gz KSRFDEBWMHIOLI-CHWSQXEVSA-N 2 2 297.399 0.176 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC1([NH2+]CCF)CCC1 ZINC001326859914 914236521 /nfs/dbraw/zinc/23/65/21/914236521.db2.gz WAGSYNLJXSHGHS-UHFFFAOYSA-N 2 2 268.336 0.871 20 0 CCADLP CC(C)=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001078081521 898221979 /nfs/dbraw/zinc/22/19/79/898221979.db2.gz XNWDOUSSTKOEMQ-ZIAGYGMSSA-N 2 2 292.383 0.388 20 0 CCADLP CC(C)=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001078081521 898221997 /nfs/dbraw/zinc/22/19/97/898221997.db2.gz XNWDOUSSTKOEMQ-ZIAGYGMSSA-N 2 2 292.383 0.388 20 0 CCADLP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]CC[C@@H]1CCCO1 ZINC001485961281 898560217 /nfs/dbraw/zinc/56/02/17/898560217.db2.gz ALIIOFKCFFLBLS-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP CC[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CCC1 ZINC001326913922 914266061 /nfs/dbraw/zinc/26/60/61/914266061.db2.gz WHCVUZLPPBMNPP-UHFFFAOYSA-N 2 2 250.346 0.611 20 0 CCADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCn2c(CO)nnc2C1 ZINC001307562023 899020827 /nfs/dbraw/zinc/02/08/27/899020827.db2.gz UXZYPPJGCGXECN-UHFFFAOYSA-N 2 2 290.371 0.571 20 0 CCADLP Cc1[nH+]ccn1CCCC[N@H+]1CCn2c(CO)nnc2C1 ZINC001307562023 899020842 /nfs/dbraw/zinc/02/08/42/899020842.db2.gz UXZYPPJGCGXECN-UHFFFAOYSA-N 2 2 290.371 0.571 20 0 CCADLP CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1csnn1)[NH+](C)C ZINC001410507866 899441109 /nfs/dbraw/zinc/44/11/09/899441109.db2.gz ZDOHQJFPHBWEQH-PWSUYJOCSA-N 2 2 299.444 0.815 20 0 CCADLP COCC[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001488961906 900419156 /nfs/dbraw/zinc/41/91/56/900419156.db2.gz VFQJXCBNCCLRPQ-QWHCGFSZSA-N 2 2 294.399 0.484 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[NH2+]C[C@H](C)O ZINC001322806459 901014054 /nfs/dbraw/zinc/01/40/54/901014054.db2.gz MSXXMPSYVNUYLJ-JTQLQIEISA-N 2 2 268.361 0.080 20 0 CCADLP C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001327547267 914608383 /nfs/dbraw/zinc/60/83/83/914608383.db2.gz SYBVOKYKLSBHKY-VXGBXAGGSA-N 2 2 262.357 0.513 20 0 CCADLP C[C@@H]1C[N@H+](CCN2C[C@@H](C)[NH+](CCO)C[C@@H]2C)CCO1 ZINC001413010949 902468301 /nfs/dbraw/zinc/46/83/01/902468301.db2.gz LIRPWHMPYYIVSM-RRFJBIMHSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2C[C@@H](C)[NH+](CCO)C[C@@H]2C)CCO1 ZINC001413010949 902468311 /nfs/dbraw/zinc/46/83/11/902468311.db2.gz LIRPWHMPYYIVSM-RRFJBIMHSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H]1C[NH+](CCN2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)CCO1 ZINC001413010949 902468318 /nfs/dbraw/zinc/46/83/18/902468318.db2.gz LIRPWHMPYYIVSM-RRFJBIMHSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H]1C[NH+](CCN2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)CCO1 ZINC001413010949 902468324 /nfs/dbraw/zinc/46/83/24/902468324.db2.gz LIRPWHMPYYIVSM-RRFJBIMHSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@H]1C[C@H]([NH2+]C[C@@]2(CO)COC[C@@H]3CCCN32)CC[N@@H+]1C ZINC001413276673 902840068 /nfs/dbraw/zinc/84/00/68/902840068.db2.gz MNFCNMAEWZIGFC-XUWVNRHRSA-N 2 2 297.443 0.284 20 0 CCADLP C[C@H]1C[C@H]([NH2+]C[C@@]2(CO)COC[C@@H]3CCCN32)CC[N@H+]1C ZINC001413276673 902840076 /nfs/dbraw/zinc/84/00/76/902840076.db2.gz MNFCNMAEWZIGFC-XUWVNRHRSA-N 2 2 297.443 0.284 20 0 CCADLP C[C@H]1C[C@H](NC[C@@]2(CO)COC[C@@H]3CCC[NH+]32)CC[N@@H+]1C ZINC001413276673 902840083 /nfs/dbraw/zinc/84/00/83/902840083.db2.gz MNFCNMAEWZIGFC-XUWVNRHRSA-N 2 2 297.443 0.284 20 0 CCADLP C[C@H]1C[C@H](NC[C@@]2(CO)COC[C@@H]3CCC[NH+]32)CC[N@H+]1C ZINC001413276673 902840088 /nfs/dbraw/zinc/84/00/88/902840088.db2.gz MNFCNMAEWZIGFC-XUWVNRHRSA-N 2 2 297.443 0.284 20 0 CCADLP C[C@H]1C[C@H](NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)CC[NH+]1C ZINC001413276673 902840095 /nfs/dbraw/zinc/84/00/95/902840095.db2.gz MNFCNMAEWZIGFC-XUWVNRHRSA-N 2 2 297.443 0.284 20 0 CCADLP C[C@H]1C[C@H](NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)CC[NH+]1C ZINC001413276673 902840104 /nfs/dbraw/zinc/84/01/04/902840104.db2.gz MNFCNMAEWZIGFC-XUWVNRHRSA-N 2 2 297.443 0.284 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@H+](C)CC1(C)C ZINC001413648292 903141832 /nfs/dbraw/zinc/14/18/32/903141832.db2.gz YTGZUKFEWZCKHO-NQBHXWOUSA-N 2 2 276.384 0.980 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[N@@H+](C)CC1(C)C ZINC001413648292 903141843 /nfs/dbraw/zinc/14/18/43/903141843.db2.gz YTGZUKFEWZCKHO-NQBHXWOUSA-N 2 2 276.384 0.980 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC001413680783 903176501 /nfs/dbraw/zinc/17/65/01/903176501.db2.gz HLBSUCQRUAVQTK-KBPBESRZSA-N 2 2 291.399 0.889 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC001413680783 903176509 /nfs/dbraw/zinc/17/65/09/903176509.db2.gz HLBSUCQRUAVQTK-KBPBESRZSA-N 2 2 291.399 0.889 20 0 CCADLP COC[C@@H](C)[NH2+][C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001491536074 903645790 /nfs/dbraw/zinc/64/57/90/903645790.db2.gz YRFHARLPAHIDDO-VXGBXAGGSA-N 2 2 282.388 0.482 20 0 CCADLP Cc1cc(C[N@H+](C)CCNC(=O)[C@H]2CC[NH+](C)C2)on1 ZINC001442608121 903695792 /nfs/dbraw/zinc/69/57/92/903695792.db2.gz JXLSLYFAFHQBIX-LBPRGKRZSA-N 2 2 280.372 0.483 20 0 CCADLP Cc1cc(C[N@@H+](C)CCNC(=O)[C@H]2CC[NH+](C)C2)on1 ZINC001442608121 903695800 /nfs/dbraw/zinc/69/58/00/903695800.db2.gz JXLSLYFAFHQBIX-LBPRGKRZSA-N 2 2 280.372 0.483 20 0 CCADLP Cc1cc(C[NH+](C)CCNC(=O)[C@H]2CC[N@H+](C)C2)on1 ZINC001442608121 903695807 /nfs/dbraw/zinc/69/58/07/903695807.db2.gz JXLSLYFAFHQBIX-LBPRGKRZSA-N 2 2 280.372 0.483 20 0 CCADLP Cc1cc(C[NH+](C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)on1 ZINC001442608121 903695815 /nfs/dbraw/zinc/69/58/15/903695815.db2.gz JXLSLYFAFHQBIX-LBPRGKRZSA-N 2 2 280.372 0.483 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001413819506 903697274 /nfs/dbraw/zinc/69/72/74/903697274.db2.gz WTBDFOSNDLOHAU-MRTXSQPYSA-N 2 2 288.395 0.980 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001413819506 903697279 /nfs/dbraw/zinc/69/72/79/903697279.db2.gz WTBDFOSNDLOHAU-MRTXSQPYSA-N 2 2 288.395 0.980 20 0 CCADLP CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001329474391 903795311 /nfs/dbraw/zinc/79/53/11/903795311.db2.gz JKAGTAWUDHWXGZ-NWDGAFQWSA-N 2 2 264.373 0.902 20 0 CCADLP CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001329474391 903795321 /nfs/dbraw/zinc/79/53/21/903795321.db2.gz JKAGTAWUDHWXGZ-NWDGAFQWSA-N 2 2 264.373 0.902 20 0 CCADLP C[C@@]1(CO)CC[N@H+](C[C@H]([NH3+])Cc2ccccc2)C[C@@H]1O ZINC001209845764 903816304 /nfs/dbraw/zinc/81/63/04/903816304.db2.gz MAAKXOWIVRXWJC-PMPSAXMXSA-N 2 2 278.396 0.622 20 0 CCADLP C[C@@]1(CO)CC[N@@H+](C[C@H]([NH3+])Cc2ccccc2)C[C@@H]1O ZINC001209845764 903816318 /nfs/dbraw/zinc/81/63/18/903816318.db2.gz MAAKXOWIVRXWJC-PMPSAXMXSA-N 2 2 278.396 0.622 20 0 CCADLP C[NH2+][C@H](C)CCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001327813514 914782063 /nfs/dbraw/zinc/78/20/63/914782063.db2.gz SGOZIPNZDOPUSD-SNVBAGLBSA-N 2 2 289.339 0.387 20 0 CCADLP CC(C)(C(=O)N1CCO[C@@H](C[NH2+]CCF)C1)c1c[nH+]c[nH]1 ZINC001280658225 904133715 /nfs/dbraw/zinc/13/37/15/904133715.db2.gz AYTKCOIYANSLFO-NSHDSACASA-N 2 2 298.362 0.474 20 0 CCADLP COCCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001282401524 904470195 /nfs/dbraw/zinc/47/01/95/904470195.db2.gz IISDWEPVNKVIKQ-JHJVBQTASA-N 2 2 294.399 0.986 20 0 CCADLP COCCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001282401524 904470201 /nfs/dbraw/zinc/47/02/01/904470201.db2.gz IISDWEPVNKVIKQ-JHJVBQTASA-N 2 2 294.399 0.986 20 0 CCADLP COCCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001282401524 904470209 /nfs/dbraw/zinc/47/02/09/904470209.db2.gz IISDWEPVNKVIKQ-JHJVBQTASA-N 2 2 294.399 0.986 20 0 CCADLP COCCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001282401524 904470215 /nfs/dbraw/zinc/47/02/15/904470215.db2.gz IISDWEPVNKVIKQ-JHJVBQTASA-N 2 2 294.399 0.986 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC[NH+]2CCF)C1 ZINC001377407990 904852186 /nfs/dbraw/zinc/85/21/86/904852186.db2.gz AOBWCMBKKHOVHT-OLZOCXBDSA-N 2 2 271.380 0.878 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCC[NH+]2CCF)C1 ZINC001377407990 904852212 /nfs/dbraw/zinc/85/22/12/904852212.db2.gz AOBWCMBKKHOVHT-OLZOCXBDSA-N 2 2 271.380 0.878 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CCC[N@@H+]2CCF)C1 ZINC001377407990 904852226 /nfs/dbraw/zinc/85/22/26/904852226.db2.gz AOBWCMBKKHOVHT-OLZOCXBDSA-N 2 2 271.380 0.878 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CCC[N@H+]2CCF)C1 ZINC001377407990 904852249 /nfs/dbraw/zinc/85/22/49/904852249.db2.gz AOBWCMBKKHOVHT-OLZOCXBDSA-N 2 2 271.380 0.878 20 0 CCADLP COCC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001377466805 904911855 /nfs/dbraw/zinc/91/18/55/904911855.db2.gz XWTIIYGQDJMOLA-QWHCGFSZSA-N 2 2 294.399 0.673 20 0 CCADLP COCC[N@H+]1CC[C@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001377466805 904911863 /nfs/dbraw/zinc/91/18/63/904911863.db2.gz XWTIIYGQDJMOLA-QWHCGFSZSA-N 2 2 294.399 0.673 20 0 CCADLP COCC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001377466805 904911868 /nfs/dbraw/zinc/91/18/68/904911868.db2.gz XWTIIYGQDJMOLA-QWHCGFSZSA-N 2 2 294.399 0.673 20 0 CCADLP COCC[N@H+]1CC[C@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001377466805 904911877 /nfs/dbraw/zinc/91/18/77/904911877.db2.gz XWTIIYGQDJMOLA-QWHCGFSZSA-N 2 2 294.399 0.673 20 0 CCADLP C[C@H](CC(=O)N1CCC[C@H]1C[N@H+](C)CCO)n1cc[nH+]c1 ZINC001377671729 905082614 /nfs/dbraw/zinc/08/26/14/905082614.db2.gz UELLBGWTHAJLJJ-KGLIPLIRSA-N 2 2 294.399 0.749 20 0 CCADLP C[C@H](CC(=O)N1CCC[C@H]1C[N@@H+](C)CCO)n1cc[nH+]c1 ZINC001377671729 905082631 /nfs/dbraw/zinc/08/26/31/905082631.db2.gz UELLBGWTHAJLJJ-KGLIPLIRSA-N 2 2 294.399 0.749 20 0 CCADLP COCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001284200277 905180749 /nfs/dbraw/zinc/18/07/49/905180749.db2.gz ZEXHSTNHXXPCPV-ZIAGYGMSSA-N 2 2 294.399 0.794 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCO)c[nH+]1 ZINC001377899070 905229699 /nfs/dbraw/zinc/22/96/99/905229699.db2.gz WAMVTKVLLNYTEC-NEPJUHHUSA-N 2 2 282.388 0.402 20 0 CCADLP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC1C[NH+](CCCO)C1 ZINC001377904181 905235457 /nfs/dbraw/zinc/23/54/57/905235457.db2.gz ZQUVJAXMHTZZSH-UHFFFAOYSA-N 2 2 297.443 0.822 20 0 CCADLP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NC1C[NH+](CCCO)C1 ZINC001377904181 905235473 /nfs/dbraw/zinc/23/54/73/905235473.db2.gz ZQUVJAXMHTZZSH-UHFFFAOYSA-N 2 2 297.443 0.822 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC1C[NH+](C[C@@H]2CCOC2)C1 ZINC001377935040 905254851 /nfs/dbraw/zinc/25/48/51/905254851.db2.gz APEZNUIHGGUYKD-LBPRGKRZSA-N 2 2 292.383 0.190 20 0 CCADLP CC[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CCF ZINC001378267765 905551376 /nfs/dbraw/zinc/55/13/76/905551376.db2.gz LTBIVBXVALIQBG-RYUDHWBXSA-N 2 2 282.363 0.899 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001378315276 905587214 /nfs/dbraw/zinc/58/72/14/905587214.db2.gz PMMLYCTYEBXBKA-UHFFFAOYSA-N 2 2 283.416 0.434 20 0 CCADLP COC[C@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001379066101 905966345 /nfs/dbraw/zinc/96/63/45/905966345.db2.gz QKWMVGARFOGRCB-YNEHKIRRSA-N 2 2 294.399 0.938 20 0 CCADLP COC[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001379066101 905966357 /nfs/dbraw/zinc/96/63/57/905966357.db2.gz QKWMVGARFOGRCB-YNEHKIRRSA-N 2 2 294.399 0.938 20 0 CCADLP COC[C@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001379066101 905966366 /nfs/dbraw/zinc/96/63/66/905966366.db2.gz QKWMVGARFOGRCB-YNEHKIRRSA-N 2 2 294.399 0.938 20 0 CCADLP COC[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001379066101 905966378 /nfs/dbraw/zinc/96/63/78/905966378.db2.gz QKWMVGARFOGRCB-YNEHKIRRSA-N 2 2 294.399 0.938 20 0 CCADLP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]Cc1cncn1C ZINC001379246895 906087817 /nfs/dbraw/zinc/08/78/17/906087817.db2.gz ZREZKMICWTYHNM-LLVKDONJSA-N 2 2 290.371 0.322 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N(C)C[C@@H](C)[NH2+]C[C@H](C)O)c[nH+]1 ZINC001379253392 906094285 /nfs/dbraw/zinc/09/42/85/906094285.db2.gz SKQYUUAPWYPJOD-YPMHNXCESA-N 2 2 296.415 0.744 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N1CCC[NH+](CCOC)CC1 ZINC001292192037 906196127 /nfs/dbraw/zinc/19/61/27/906196127.db2.gz RZZRELMNMPNUSI-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N1CCC[NH+](CCOC)CC1 ZINC001292192037 906196136 /nfs/dbraw/zinc/19/61/36/906196136.db2.gz RZZRELMNMPNUSI-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)N1CCC[N@H+](CCOC)CC1 ZINC001292192037 906196146 /nfs/dbraw/zinc/19/61/46/906196146.db2.gz RZZRELMNMPNUSI-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)N1CCC[N@@H+](CCOC)CC1 ZINC001292192037 906196154 /nfs/dbraw/zinc/19/61/54/906196154.db2.gz RZZRELMNMPNUSI-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP Cc1noc(C[NH2+]C[C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)n1 ZINC001379424833 906234676 /nfs/dbraw/zinc/23/46/76/906234676.db2.gz WFDJDIUAIGBSGO-GHMZBOCLSA-N 2 2 295.387 0.314 20 0 CCADLP Cc1noc(C[NH2+]C[C@@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)n1 ZINC001379424833 906234696 /nfs/dbraw/zinc/23/46/96/906234696.db2.gz WFDJDIUAIGBSGO-GHMZBOCLSA-N 2 2 295.387 0.314 20 0 CCADLP C[C@H](C[N@H+](C)CCCO)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001379701588 906440515 /nfs/dbraw/zinc/44/05/15/906440515.db2.gz VFLBDNKYQZUGQN-CHWSQXEVSA-N 2 2 294.399 0.264 20 0 CCADLP C[C@H](C[N@@H+](C)CCCO)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001379701588 906440522 /nfs/dbraw/zinc/44/05/22/906440522.db2.gz VFLBDNKYQZUGQN-CHWSQXEVSA-N 2 2 294.399 0.264 20 0 CCADLP CC(C)[NH2+]C[C@H](O)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001379813301 906491514 /nfs/dbraw/zinc/49/15/14/906491514.db2.gz ZZRSIAYSTFEJBU-LBPRGKRZSA-N 2 2 290.367 0.994 20 0 CCADLP CC[N@@H+]1CC[C@H]1C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC001293933684 906532559 /nfs/dbraw/zinc/53/25/59/906532559.db2.gz WFOCKUVPAHWMDQ-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP CC[N@H+]1CC[C@H]1C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC001293933684 906532565 /nfs/dbraw/zinc/53/25/65/906532565.db2.gz WFOCKUVPAHWMDQ-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CC[N@@H+]1C[C@@H]1CCOC1 ZINC001379974203 906566864 /nfs/dbraw/zinc/56/68/64/906566864.db2.gz MQEWTLNAFOCEPM-GXTWGEPZSA-N 2 2 292.383 0.569 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CC[N@H+]1C[C@@H]1CCOC1 ZINC001379974203 906566870 /nfs/dbraw/zinc/56/68/70/906566870.db2.gz MQEWTLNAFOCEPM-GXTWGEPZSA-N 2 2 292.383 0.569 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CC[N@@H+]1C[C@@H]1CCOC1 ZINC001379974203 906566882 /nfs/dbraw/zinc/56/68/82/906566882.db2.gz MQEWTLNAFOCEPM-GXTWGEPZSA-N 2 2 292.383 0.569 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CC[N@H+]1C[C@@H]1CCOC1 ZINC001379974203 906566891 /nfs/dbraw/zinc/56/68/91/906566891.db2.gz MQEWTLNAFOCEPM-GXTWGEPZSA-N 2 2 292.383 0.569 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CC[N@H+]1CCOC(C)C ZINC001380033377 906600151 /nfs/dbraw/zinc/60/01/51/906600151.db2.gz UQCWFRNRCWUNEN-ZDUSSCGKSA-N 2 2 294.399 0.876 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CC[N@@H+]1CCOC(C)C ZINC001380033377 906600159 /nfs/dbraw/zinc/60/01/59/906600159.db2.gz UQCWFRNRCWUNEN-ZDUSSCGKSA-N 2 2 294.399 0.876 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001380056749 906614235 /nfs/dbraw/zinc/61/42/35/906614235.db2.gz VUSGLJAYLYOJLA-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001380056749 906614242 /nfs/dbraw/zinc/61/42/42/906614242.db2.gz VUSGLJAYLYOJLA-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[C@@H]1[NH3+] ZINC001335307476 906648595 /nfs/dbraw/zinc/64/85/95/906648595.db2.gz DPEBDYKLAFTWOU-KKOKHZNYSA-N 2 2 262.357 0.719 20 0 CCADLP O=C(NCCn1cc[nH+]c1)N1CCC[C@@]12CC[NH2+]C2 ZINC001335325937 906666583 /nfs/dbraw/zinc/66/65/83/906666583.db2.gz BFKBKJDELAQCFM-ZDUSSCGKSA-N 2 2 263.345 0.421 20 0 CCADLP CC[C@H](C(=O)NC[C@H]1COCC[N@@H+]1CCC1CC1)[NH+](C)C ZINC001380822562 906951079 /nfs/dbraw/zinc/95/10/79/906951079.db2.gz LANZPGVJADIAFR-LSDHHAIUSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@H](C(=O)NC[C@H]1COCC[N@H+]1CCC1CC1)[NH+](C)C ZINC001380822562 906951090 /nfs/dbraw/zinc/95/10/90/906951090.db2.gz LANZPGVJADIAFR-LSDHHAIUSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H](CNc1cc(N)[nH+]cn1)N1CC[NH+](C)CC1 ZINC001337768689 921292256 /nfs/dbraw/zinc/29/22/56/921292256.db2.gz KNDYHCPABRVNHT-SNVBAGLBSA-N 2 2 250.350 0.107 20 0 CCADLP C[C@H](O)C[NH2+]CC1CC(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001381341524 907160790 /nfs/dbraw/zinc/16/07/90/907160790.db2.gz LRFYVSUWAKCEEU-HSBZDZAISA-N 2 2 294.399 0.529 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC001381445828 907207022 /nfs/dbraw/zinc/20/70/22/907207022.db2.gz UOAODKOTSCYJPL-GHMZBOCLSA-N 2 2 296.419 0.438 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC001381445828 907207035 /nfs/dbraw/zinc/20/70/35/907207035.db2.gz UOAODKOTSCYJPL-GHMZBOCLSA-N 2 2 296.419 0.438 20 0 CCADLP CC[C@@H](C(=O)NC1(CCO)C[NH+](CCCF)C1)[NH+](C)C ZINC001381678817 907365652 /nfs/dbraw/zinc/36/56/52/907365652.db2.gz QJVKZTMQZVTTIH-LBPRGKRZSA-N 2 2 289.395 0.239 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1nncs1 ZINC001491650066 907485183 /nfs/dbraw/zinc/48/51/83/907485183.db2.gz NRFINDSLZGMRHZ-JTQLQIEISA-N 2 2 285.417 0.474 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1nncs1 ZINC001491650066 907485194 /nfs/dbraw/zinc/48/51/94/907485194.db2.gz NRFINDSLZGMRHZ-JTQLQIEISA-N 2 2 285.417 0.474 20 0 CCADLP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cncn1C ZINC001492133480 907734717 /nfs/dbraw/zinc/73/47/17/907734717.db2.gz WPAPJXWXKCOYRJ-GFCCVEGCSA-N 2 2 290.371 0.301 20 0 CCADLP CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001382458067 907749254 /nfs/dbraw/zinc/74/92/54/907749254.db2.gz HZMSITYWUHIBHT-CYBMUJFWSA-N 2 2 282.388 0.503 20 0 CCADLP CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001382458067 907749226 /nfs/dbraw/zinc/74/92/26/907749226.db2.gz HZMSITYWUHIBHT-CYBMUJFWSA-N 2 2 282.388 0.503 20 0 CCADLP CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001382458067 907749238 /nfs/dbraw/zinc/74/92/38/907749238.db2.gz HZMSITYWUHIBHT-CYBMUJFWSA-N 2 2 282.388 0.503 20 0 CCADLP CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001382458067 907749247 /nfs/dbraw/zinc/74/92/47/907749247.db2.gz HZMSITYWUHIBHT-CYBMUJFWSA-N 2 2 282.388 0.503 20 0 CCADLP C[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)CC1CCOCC1 ZINC001492475562 907935481 /nfs/dbraw/zinc/93/54/81/907935481.db2.gz XJZRGLNFJXVXRF-UHFFFAOYSA-N 2 2 280.372 0.427 20 0 CCADLP C[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)CC1CCOCC1 ZINC001492475562 907935498 /nfs/dbraw/zinc/93/54/98/907935498.db2.gz XJZRGLNFJXVXRF-UHFFFAOYSA-N 2 2 280.372 0.427 20 0 CCADLP C[C@H]([NH2+][C@H]1C[C@@H]2COC[C@@H]21)[C@@H]1C[N@H+](C)CCN1C ZINC001308948199 908447136 /nfs/dbraw/zinc/44/71/36/908447136.db2.gz LGYNBTWSXJZROL-NDKCEZKHSA-N 2 2 253.390 0.245 20 0 CCADLP C[C@H]([NH2+][C@H]1C[C@@H]2COC[C@@H]21)[C@@H]1C[N@@H+](C)CCN1C ZINC001308948199 908447147 /nfs/dbraw/zinc/44/71/47/908447147.db2.gz LGYNBTWSXJZROL-NDKCEZKHSA-N 2 2 253.390 0.245 20 0 CCADLP [NH3+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC001340267678 908516239 /nfs/dbraw/zinc/51/62/39/908516239.db2.gz VOAMACUSWXFBOL-SNVBAGLBSA-N 2 2 260.297 0.363 20 0 CCADLP CC1(C)C[NH2+]CC[C@@H](NC(=O)C[C@@H]([NH3+])C(F)F)C1 ZINC001340894184 908558253 /nfs/dbraw/zinc/55/82/53/908558253.db2.gz HEUAHMYWIXSDAO-RKDXNWHRSA-N 2 2 263.332 0.863 20 0 CCADLP COCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001316881861 908676692 /nfs/dbraw/zinc/67/66/92/908676692.db2.gz WRHJGUXZNIZECR-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP CCOCCC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001318452121 909763554 /nfs/dbraw/zinc/76/35/54/909763554.db2.gz FJIYPALTQLKSDB-AWEZNQCLSA-N 2 2 294.399 0.842 20 0 CCADLP CCOCCC[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001318452121 909763572 /nfs/dbraw/zinc/76/35/72/909763572.db2.gz FJIYPALTQLKSDB-AWEZNQCLSA-N 2 2 294.399 0.842 20 0 CCADLP C[C@H](C[NH2+]CCC[C@H](C)O)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001319551979 910199953 /nfs/dbraw/zinc/19/99/53/910199953.db2.gz PBOVKTPPTSNJAY-NEPJUHHUSA-N 2 2 282.388 0.550 20 0 CCADLP COCC[N@@H+]1CCCC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001390136553 910241924 /nfs/dbraw/zinc/24/19/24/910241924.db2.gz DZUNNQQZPQTEDO-ZDUSSCGKSA-N 2 2 294.399 0.878 20 0 CCADLP COCC[N@H+]1CCCC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001390136553 910241937 /nfs/dbraw/zinc/24/19/37/910241937.db2.gz DZUNNQQZPQTEDO-ZDUSSCGKSA-N 2 2 294.399 0.878 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001319709906 910268746 /nfs/dbraw/zinc/26/87/46/910268746.db2.gz DBOJSTDOHXOUGV-AAEUAGOBSA-N 2 2 294.399 0.734 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC001319745095 910278389 /nfs/dbraw/zinc/27/83/89/910278389.db2.gz MFWMRGFSMLXCOI-UHFFFAOYSA-N 2 2 291.355 0.208 20 0 CCADLP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)c1csnn1 ZINC001390464178 910439899 /nfs/dbraw/zinc/43/98/99/910439899.db2.gz CONMZGVZCZWEQI-ZJUUUORDSA-N 2 2 285.417 0.645 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@@H]1C[NH2+]CCCO ZINC001320166987 910486742 /nfs/dbraw/zinc/48/67/42/910486742.db2.gz SMUYGTBSCRZXSF-DGCLKSJQSA-N 2 2 280.372 0.209 20 0 CCADLP Cc1nnc([C@H](C)[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C(C)C)[nH]1 ZINC001390537952 910502015 /nfs/dbraw/zinc/50/20/15/910502015.db2.gz YPUJGLWRIZQKLM-QWRGUYRKSA-N 2 2 296.419 0.609 20 0 CCADLP Cc1nnc([C@H](C)[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)C(C)C)[nH]1 ZINC001390537952 910502024 /nfs/dbraw/zinc/50/20/24/910502024.db2.gz YPUJGLWRIZQKLM-QWRGUYRKSA-N 2 2 296.419 0.609 20 0 CCADLP Cn1nccc1C[N@H+](C)CCNC(=O)CCC[NH+](C)C ZINC001390807687 910699327 /nfs/dbraw/zinc/69/93/27/910699327.db2.gz LMXFJYGWVTWWEX-UHFFFAOYSA-N 2 2 281.404 0.310 20 0 CCADLP Cn1nccc1C[N@@H+](C)CCNC(=O)CCC[NH+](C)C ZINC001390807687 910699336 /nfs/dbraw/zinc/69/93/36/910699336.db2.gz LMXFJYGWVTWWEX-UHFFFAOYSA-N 2 2 281.404 0.310 20 0 CCADLP C[C@H](CC[NH2+]CC1CCOCC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001320560694 910739836 /nfs/dbraw/zinc/73/98/36/910739836.db2.gz GOQKZUZNRXSPJV-GFCCVEGCSA-N 2 2 294.399 0.863 20 0 CCADLP COC[C@@H](C)[NH+]1CC(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001391519864 911192541 /nfs/dbraw/zinc/19/25/41/911192541.db2.gz RHSAFKPEMNDSLO-CYBMUJFWSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H]1CC[N@H+](CCCO)C1 ZINC001391623695 911268415 /nfs/dbraw/zinc/26/84/15/911268415.db2.gz QUSYKUXSHLLYPY-OCCSQVGLSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H]1CC[N@@H+](CCCO)C1 ZINC001391623695 911268436 /nfs/dbraw/zinc/26/84/36/911268436.db2.gz QUSYKUXSHLLYPY-OCCSQVGLSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H]1CC[N@H+](CCCO)C1 ZINC001391623695 911268451 /nfs/dbraw/zinc/26/84/51/911268451.db2.gz QUSYKUXSHLLYPY-OCCSQVGLSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H]1CC[N@@H+](CCCO)C1 ZINC001391623695 911268464 /nfs/dbraw/zinc/26/84/64/911268464.db2.gz QUSYKUXSHLLYPY-OCCSQVGLSA-N 2 2 294.399 0.503 20 0 CCADLP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1csnn1 ZINC001391753466 911388138 /nfs/dbraw/zinc/38/81/38/911388138.db2.gz MUPIXCVMXPLKLV-NSHDSACASA-N 2 2 299.444 0.863 20 0 CCADLP CC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+]Cc1csnn1 ZINC001391753466 911388153 /nfs/dbraw/zinc/38/81/53/911388153.db2.gz MUPIXCVMXPLKLV-NSHDSACASA-N 2 2 299.444 0.863 20 0 CCADLP Cc1noc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001392054070 911551319 /nfs/dbraw/zinc/55/13/19/911551319.db2.gz WJZOLHSLIPOXJB-JQWIXIFHSA-N 2 2 295.387 0.409 20 0 CCADLP Cc1noc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001392054070 911551333 /nfs/dbraw/zinc/55/13/33/911551333.db2.gz WJZOLHSLIPOXJB-JQWIXIFHSA-N 2 2 295.387 0.409 20 0 CCADLP COCC[N@H+](C)CCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001392283212 911699403 /nfs/dbraw/zinc/69/94/03/911699403.db2.gz GRRWSQKBYZQLKA-ZDUSSCGKSA-N 2 2 294.399 0.482 20 0 CCADLP COCC[N@@H+](C)CCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001392283212 911699412 /nfs/dbraw/zinc/69/94/12/911699412.db2.gz GRRWSQKBYZQLKA-ZDUSSCGKSA-N 2 2 294.399 0.482 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001392503311 911869092 /nfs/dbraw/zinc/86/90/92/911869092.db2.gz CWTMWIKEVZKPNE-NXEZZACHSA-N 2 2 283.376 0.485 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[NH2+]CCF ZINC001322806475 911965244 /nfs/dbraw/zinc/96/52/44/911965244.db2.gz MWDXACFJXYBNJP-UHFFFAOYSA-N 2 2 256.325 0.668 20 0 CCADLP COCCO[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC001323084572 912107070 /nfs/dbraw/zinc/10/70/70/912107070.db2.gz DILDKCPENJSVCH-LSDHHAIUSA-N 2 2 286.416 0.571 20 0 CCADLP COCCO[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC001323084572 912107087 /nfs/dbraw/zinc/10/70/87/912107087.db2.gz DILDKCPENJSVCH-LSDHHAIUSA-N 2 2 286.416 0.571 20 0 CCADLP C[C@@H](C[N@H+](C)CC[C@@H]1CCCO1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001392715996 912107830 /nfs/dbraw/zinc/10/78/30/912107830.db2.gz YJIYDHBTTZFRJN-STQMWFEESA-N 2 2 294.399 0.958 20 0 CCADLP C[C@@H](C[N@@H+](C)CC[C@@H]1CCCO1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001392715996 912107837 /nfs/dbraw/zinc/10/78/37/912107837.db2.gz YJIYDHBTTZFRJN-STQMWFEESA-N 2 2 294.399 0.958 20 0 CCADLP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1nonc1C)[NH+](C)C ZINC001398983872 914982445 /nfs/dbraw/zinc/98/24/45/914982445.db2.gz SRBKLNBVPWMWJQ-BXKDBHETSA-N 2 2 283.376 0.313 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1csnn1)[NH+](C)C ZINC001399029138 915003815 /nfs/dbraw/zinc/00/38/15/915003815.db2.gz ISNQGOMQTBHGIG-ZYHUDNBSSA-N 2 2 299.444 0.719 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CCC(F)(F)F ZINC001399041718 915019552 /nfs/dbraw/zinc/01/95/52/915019552.db2.gz VXOQFZPUBSGSDH-QMMMGPOBSA-N 2 2 278.278 0.999 20 0 CCADLP C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001328646174 915331655 /nfs/dbraw/zinc/33/16/55/915331655.db2.gz LVJARVODHWIQRQ-QWRGUYRKSA-N 2 2 250.346 0.560 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC[C@H]1CC[N@@H+](CCO)C1 ZINC001400151763 915589447 /nfs/dbraw/zinc/58/94/47/915589447.db2.gz QRANOZQUUSIXQU-LBPRGKRZSA-N 2 2 280.372 0.163 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC[C@H]1CC[N@H+](CCO)C1 ZINC001400151763 915589454 /nfs/dbraw/zinc/58/94/54/915589454.db2.gz QRANOZQUUSIXQU-LBPRGKRZSA-N 2 2 280.372 0.163 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC[C@H]1CC[N@@H+](CCO)C1 ZINC001400151763 915589463 /nfs/dbraw/zinc/58/94/63/915589463.db2.gz QRANOZQUUSIXQU-LBPRGKRZSA-N 2 2 280.372 0.163 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC[C@H]1CC[N@H+](CCO)C1 ZINC001400151763 915589472 /nfs/dbraw/zinc/58/94/72/915589472.db2.gz QRANOZQUUSIXQU-LBPRGKRZSA-N 2 2 280.372 0.163 20 0 CCADLP OC[C@H]1C=C[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC001329113379 915683750 /nfs/dbraw/zinc/68/37/50/915683750.db2.gz JQWQRKGFRSGYIO-CFVMTHIKSA-N 2 2 266.385 0.766 20 0 CCADLP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+]([C@H](C)COC)C1 ZINC001400773419 915923282 /nfs/dbraw/zinc/92/32/82/915923282.db2.gz ZBEXVGMINAAWTQ-TZMCWYRMSA-N 2 2 294.399 0.910 20 0 CCADLP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+]([C@H](C)COC)C1 ZINC001400773419 915923304 /nfs/dbraw/zinc/92/33/04/915923304.db2.gz ZBEXVGMINAAWTQ-TZMCWYRMSA-N 2 2 294.399 0.910 20 0 CCADLP CCOCC[N@H+](C)[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001329558391 916011146 /nfs/dbraw/zinc/01/11/46/916011146.db2.gz FVJKIXBXRRGWOB-NSHDSACASA-N 2 2 268.361 0.425 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]C[C@@H]1CCCOC1 ZINC001401141813 916067836 /nfs/dbraw/zinc/06/78/36/916067836.db2.gz HGWWTSYZYABZJP-STQMWFEESA-N 2 2 294.399 0.721 20 0 CCADLP CCC[N@@H+]1CCO[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001401161697 916079844 /nfs/dbraw/zinc/07/98/44/916079844.db2.gz LJBFJHURBDTFBI-CYBMUJFWSA-N 2 2 280.372 0.419 20 0 CCADLP CCC[N@H+]1CCO[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001401161697 916079862 /nfs/dbraw/zinc/07/98/62/916079862.db2.gz LJBFJHURBDTFBI-CYBMUJFWSA-N 2 2 280.372 0.419 20 0 CCADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC001329784436 916185580 /nfs/dbraw/zinc/18/55/80/916185580.db2.gz COBZTMVGQFYILO-WDEREUQCSA-N 2 2 276.340 0.090 20 0 CCADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC001329784436 916185586 /nfs/dbraw/zinc/18/55/86/916185586.db2.gz COBZTMVGQFYILO-WDEREUQCSA-N 2 2 276.340 0.090 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC001329884426 916252006 /nfs/dbraw/zinc/25/20/06/916252006.db2.gz OAKFMZOEDYCELG-GHMZBOCLSA-N 2 2 250.346 0.656 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC001329884426 916252024 /nfs/dbraw/zinc/25/20/24/916252024.db2.gz OAKFMZOEDYCELG-GHMZBOCLSA-N 2 2 250.346 0.656 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC001329884426 916252042 /nfs/dbraw/zinc/25/20/42/916252042.db2.gz OAKFMZOEDYCELG-GHMZBOCLSA-N 2 2 250.346 0.656 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC001329884426 916252061 /nfs/dbraw/zinc/25/20/61/916252061.db2.gz OAKFMZOEDYCELG-GHMZBOCLSA-N 2 2 250.346 0.656 20 0 CCADLP OC[C@@H](CCF)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001329939956 916294872 /nfs/dbraw/zinc/29/48/72/916294872.db2.gz JRLCFIHBOYUMFA-CHWSQXEVSA-N 2 2 260.353 0.550 20 0 CCADLP CCc1nnc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C)o1 ZINC001401634126 916409781 /nfs/dbraw/zinc/40/97/81/916409781.db2.gz OMMRJTWLZCPMTI-GHMZBOCLSA-N 2 2 297.403 0.567 20 0 CCADLP O=C(NCC[NH+]1CC=CC1)c1cc(C[NH+]2CCCC2)on1 ZINC001330129115 916425609 /nfs/dbraw/zinc/42/56/09/916425609.db2.gz XCQZAWSTHHQRRD-UHFFFAOYSA-N 2 2 290.367 0.872 20 0 CCADLP CC[C@H](C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH+]cn1C)OC ZINC001401650814 916428198 /nfs/dbraw/zinc/42/81/98/916428198.db2.gz GZVLOWJOEISMRW-DGCLKSJQSA-N 2 2 282.388 0.482 20 0 CCADLP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]Cc1cnsn1)[NH+](C)C ZINC001401658278 916434249 /nfs/dbraw/zinc/43/42/49/916434249.db2.gz ARFKQVOYCIHAGN-ZYHUDNBSSA-N 2 2 299.444 0.719 20 0 CCADLP CCc1nnc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001401672742 916453915 /nfs/dbraw/zinc/45/39/15/916453915.db2.gz XKEVDHLXVLPFRC-MNOVXSKESA-N 2 2 295.387 0.178 20 0 CCADLP CCc1nnc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001401672742 916453951 /nfs/dbraw/zinc/45/39/51/916453951.db2.gz XKEVDHLXVLPFRC-MNOVXSKESA-N 2 2 295.387 0.178 20 0 CCADLP Cc1cc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]2CC[NH+](C)C2)no1 ZINC001401803211 916600806 /nfs/dbraw/zinc/60/08/06/916600806.db2.gz KJJAXFMGLFVNFR-YPMHNXCESA-N 2 2 294.399 0.871 20 0 CCADLP Cc1cc(C[N@H+](C)C[C@@H](C)NC(=O)[C@H]2CC[NH+](C)C2)no1 ZINC001401803211 916600811 /nfs/dbraw/zinc/60/08/11/916600811.db2.gz KJJAXFMGLFVNFR-YPMHNXCESA-N 2 2 294.399 0.871 20 0 CCADLP Cc1cc(C[NH+](C)C[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)no1 ZINC001401803211 916600817 /nfs/dbraw/zinc/60/08/17/916600817.db2.gz KJJAXFMGLFVNFR-YPMHNXCESA-N 2 2 294.399 0.871 20 0 CCADLP Cc1cc(C[NH+](C)C[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)no1 ZINC001401803211 916600823 /nfs/dbraw/zinc/60/08/23/916600823.db2.gz KJJAXFMGLFVNFR-YPMHNXCESA-N 2 2 294.399 0.871 20 0 CCADLP CC[NH2+]C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001401855227 916633174 /nfs/dbraw/zinc/63/31/74/916633174.db2.gz LBOLDTBOQHDCDJ-JSGCOSHPSA-N 2 2 276.384 0.950 20 0 CCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C1(C)C[NH2+]C1 ZINC001330554621 916693942 /nfs/dbraw/zinc/69/39/42/916693942.db2.gz NEFIMNDMQOSSIY-ZDUSSCGKSA-N 2 2 259.353 0.899 20 0 CCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C1(C)C[NH2+]C1 ZINC001330554621 916693953 /nfs/dbraw/zinc/69/39/53/916693953.db2.gz NEFIMNDMQOSSIY-ZDUSSCGKSA-N 2 2 259.353 0.899 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2nncs2)CC1 ZINC001401943454 916723179 /nfs/dbraw/zinc/72/31/79/916723179.db2.gz YYDUQXBQQQNWRV-SNVBAGLBSA-N 2 2 295.412 0.371 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2nncs2)CC1 ZINC001401943454 916723190 /nfs/dbraw/zinc/72/31/90/916723190.db2.gz YYDUQXBQQQNWRV-SNVBAGLBSA-N 2 2 295.412 0.371 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]Cc2ccon2)CC1 ZINC001401989012 916743123 /nfs/dbraw/zinc/74/31/23/916743123.db2.gz WXDJYROWIHXWNB-UHFFFAOYSA-N 2 2 280.372 0.753 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]Cc2ccon2)CC1 ZINC001401989012 916743134 /nfs/dbraw/zinc/74/31/34/916743134.db2.gz WXDJYROWIHXWNB-UHFFFAOYSA-N 2 2 280.372 0.753 20 0 CCADLP C[NH2+]CCCC(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC001330647146 916762020 /nfs/dbraw/zinc/76/20/20/916762020.db2.gz BUZWTTBUBDFLBS-UHFFFAOYSA-N 2 2 282.432 0.224 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@@]1(C)CC[N@H+](CCCO)C1 ZINC001402136538 916827491 /nfs/dbraw/zinc/82/74/91/916827491.db2.gz SEXDRTMIHXSXKF-HNNXBMFYSA-N 2 2 294.399 0.316 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@@]1(C)CC[N@@H+](CCCO)C1 ZINC001402136538 916827514 /nfs/dbraw/zinc/82/75/14/916827514.db2.gz SEXDRTMIHXSXKF-HNNXBMFYSA-N 2 2 294.399 0.316 20 0 CCADLP CC(C)CC[NH+]1CC(O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001402378473 916989258 /nfs/dbraw/zinc/98/92/58/916989258.db2.gz YJDLDTBBBFLGEU-UHFFFAOYSA-N 2 2 294.399 0.172 20 0 CCADLP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+](Cc2cnon2)C1 ZINC001402668305 917164018 /nfs/dbraw/zinc/16/40/18/917164018.db2.gz RAGGMTUYJRENOB-GFCCVEGCSA-N 2 2 295.387 0.350 20 0 CCADLP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+](Cc2cnon2)C1 ZINC001402668305 917164026 /nfs/dbraw/zinc/16/40/26/917164026.db2.gz RAGGMTUYJRENOB-GFCCVEGCSA-N 2 2 295.387 0.350 20 0 CCADLP C[C@@]1(C[NH3+])CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001331226035 917196815 /nfs/dbraw/zinc/19/68/15/917196815.db2.gz XKALTXUJSNLWJW-RISCZKNCSA-N 2 2 262.357 0.643 20 0 CCADLP COCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001402793273 917229819 /nfs/dbraw/zinc/22/98/19/917229819.db2.gz VDSPEECBCRPVPX-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001402793273 917229839 /nfs/dbraw/zinc/22/98/39/917229839.db2.gz VDSPEECBCRPVPX-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP CC(C)C[NH2+]CC1(O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001402808038 917236707 /nfs/dbraw/zinc/23/67/07/917236707.db2.gz MEXODGRGOZSJHE-UHFFFAOYSA-N 2 2 294.399 0.482 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1nncs1 ZINC001402911593 917338792 /nfs/dbraw/zinc/33/87/92/917338792.db2.gz UFCWFESPLVVLOJ-GHMZBOCLSA-N 2 2 297.428 0.617 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1nncs1 ZINC001402911593 917338810 /nfs/dbraw/zinc/33/88/10/917338810.db2.gz UFCWFESPLVVLOJ-GHMZBOCLSA-N 2 2 297.428 0.617 20 0 CCADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]C[C@H]1CCOC1 ZINC001402913319 917343541 /nfs/dbraw/zinc/34/35/41/917343541.db2.gz RECQCUOGVGYABT-NWDGAFQWSA-N 2 2 280.372 0.473 20 0 CCADLP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]C[C@H]1CCOC1 ZINC001402913319 917343554 /nfs/dbraw/zinc/34/35/54/917343554.db2.gz RECQCUOGVGYABT-NWDGAFQWSA-N 2 2 280.372 0.473 20 0 CCADLP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1cnon1 ZINC001403022643 917430205 /nfs/dbraw/zinc/43/02/05/917430205.db2.gz GEOLANWKPZGMAZ-JTQLQIEISA-N 2 2 281.360 0.148 20 0 CCADLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H](C)[NH2+]CC1CCOCC1 ZINC001403045646 917443643 /nfs/dbraw/zinc/44/36/43/917443643.db2.gz RVFYSEOLRBPAFQ-VXGBXAGGSA-N 2 2 294.399 0.862 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC[C@H]1CCOC1 ZINC001403134413 917514741 /nfs/dbraw/zinc/51/47/41/917514741.db2.gz JJBNXDKGQBVTEX-STQMWFEESA-N 2 2 280.372 0.404 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NC[C@@H](C)[N@H+](C)C[C@H](C)O ZINC001403133338 917516947 /nfs/dbraw/zinc/51/69/47/917516947.db2.gz DMKBYJUQTQXRRX-NEPJUHHUSA-N 2 2 295.383 0.450 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NC[C@@H](C)[N@@H+](C)C[C@H](C)O ZINC001403133338 917516953 /nfs/dbraw/zinc/51/69/53/917516953.db2.gz DMKBYJUQTQXRRX-NEPJUHHUSA-N 2 2 295.383 0.450 20 0 CCADLP Cc1ncsc1C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC001331762739 917583227 /nfs/dbraw/zinc/58/32/27/917583227.db2.gz QZQRBLGHPZODPN-UHFFFAOYSA-N 2 2 265.342 0.696 20 0 CCADLP CC(C)[NH2+][C@@H](CO)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001331805053 917623564 /nfs/dbraw/zinc/62/35/64/917623564.db2.gz PVDCBPVFKNUYSC-ZYHUDNBSSA-N 2 2 268.361 0.063 20 0 CCADLP CC(C)[NH2+][C@@H](CO)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001331805053 917623571 /nfs/dbraw/zinc/62/35/71/917623571.db2.gz PVDCBPVFKNUYSC-ZYHUDNBSSA-N 2 2 268.361 0.063 20 0 CCADLP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]CC[C@@H]1CCOC1 ZINC001403475518 917730749 /nfs/dbraw/zinc/73/07/49/917730749.db2.gz ANCYSKHNDRMYOZ-UONOGXRCSA-N 2 2 294.399 0.794 20 0 CCADLP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH2+]C1CC[NH2+]CC1 ZINC001332010797 917798410 /nfs/dbraw/zinc/79/84/10/917798410.db2.gz DKJVEQSUNUKOOJ-LBPRGKRZSA-N 3 2 264.377 0.044 20 0 CCADLP CCOCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001332034168 917818052 /nfs/dbraw/zinc/81/80/52/917818052.db2.gz ZUFDWJSBWMQTHF-QWHCGFSZSA-N 2 2 294.399 0.958 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)NC[C@H](CO)[NH2+]C(C)C)ccn12 ZINC001403663602 917904617 /nfs/dbraw/zinc/90/46/17/917904617.db2.gz SSTVAIWXNQOGEB-CYBMUJFWSA-N 2 2 290.367 0.731 20 0 CCADLP Cn1cc(N2CC[C@H]([NH2+][C@H]3CC[NH2+]C3(C)C)C2)cn1 ZINC001332401220 918124483 /nfs/dbraw/zinc/12/44/83/918124483.db2.gz KVHLQHQIXLUMAP-AAEUAGOBSA-N 2 2 263.389 0.729 20 0 CCADLP Cn1cc(N2CC[C@H]([NH2+][C@@H]3CC[NH2+]C3(C)C)C2)cn1 ZINC001332401222 918125335 /nfs/dbraw/zinc/12/53/35/918125335.db2.gz KVHLQHQIXLUMAP-WCQYABFASA-N 2 2 263.389 0.729 20 0 CCADLP [NH3+][C@@H](C(=O)NCCn1cc[nH+]c1)C1CCCCC1 ZINC001332507248 918232767 /nfs/dbraw/zinc/23/27/67/918232767.db2.gz LYMWAQIUCCCTCQ-GFCCVEGCSA-N 2 2 250.346 0.907 20 0 CCADLP C[C@@H](C(=O)N[C@@H]1C[NH2+]CCC1(F)F)n1cc[nH+]c1 ZINC001332515347 918243946 /nfs/dbraw/zinc/24/39/46/918243946.db2.gz GGVYSFQCXJGJAG-DTWKUNHWSA-N 2 2 258.272 0.558 20 0 CCADLP C[C@@H]([NH2+]CCN(C)C(=O)Cn1cc[nH+]c1)c1cnccn1 ZINC001404329884 918312584 /nfs/dbraw/zinc/31/25/84/918312584.db2.gz PLEWBHOCDFTBTO-GFCCVEGCSA-N 2 2 288.355 0.482 20 0 CCADLP C[C@@H](CC(=O)N1CCC(O)(C[NH3+])CC1)n1cc[nH+]c1 ZINC001332725608 918402725 /nfs/dbraw/zinc/40/27/25/918402725.db2.gz WUFTXWKHIGNXFP-NSHDSACASA-N 2 2 266.345 0.146 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@H]1CCCS(=O)(=O)C1 ZINC001332745087 918417350 /nfs/dbraw/zinc/41/73/50/918417350.db2.gz RYQYWNSMVNQRIJ-UTUOFQBUSA-N 2 2 260.403 0.623 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@H]1CCCS(=O)(=O)C1 ZINC001332745087 918417363 /nfs/dbraw/zinc/41/73/63/918417363.db2.gz RYQYWNSMVNQRIJ-UTUOFQBUSA-N 2 2 260.403 0.623 20 0 CCADLP C[C@@H]1CC[C@H](C[NH+]2CC(NC(=O)C3(C[NH+](C)C)CC3)C2)O1 ZINC001404803911 918470791 /nfs/dbraw/zinc/47/07/91/918470791.db2.gz FMCXRRAJVSUOSK-TZMCWYRMSA-N 2 2 295.427 0.696 20 0 CCADLP CC[NH+](CC)C[C@@H](F)C(=O)NCC1C[NH+](CCF)C1 ZINC001404894603 918509277 /nfs/dbraw/zinc/50/92/77/918509277.db2.gz VRDSWQZLNABOGD-GFCCVEGCSA-N 2 2 277.359 0.684 20 0 CCADLP CC[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CCO ZINC001405260252 918696358 /nfs/dbraw/zinc/69/63/58/918696358.db2.gz DCVUZZYKCPKJFZ-NSHDSACASA-N 2 2 276.340 0.425 20 0 CCADLP CC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[NH2+]Cc1cnsn1 ZINC001405348298 918735654 /nfs/dbraw/zinc/73/56/54/918735654.db2.gz WONZVUNPHNWHIA-JQWIXIFHSA-N 2 2 299.444 0.863 20 0 CCADLP CC[C@@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+]CCF ZINC001405354741 918736643 /nfs/dbraw/zinc/73/66/43/918736643.db2.gz QEXLRYKPOAGYAQ-NSHDSACASA-N 2 2 270.352 0.807 20 0 CCADLP C[C@H](C[NH2+]Cc1cnsn1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001405902846 918966158 /nfs/dbraw/zinc/96/61/58/918966158.db2.gz VUDKURTVUUVQHR-GHMZBOCLSA-N 2 2 297.428 0.426 20 0 CCADLP C[C@H](C[NH2+]Cc1cnsn1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001405902846 918966171 /nfs/dbraw/zinc/96/61/71/918966171.db2.gz VUDKURTVUUVQHR-GHMZBOCLSA-N 2 2 297.428 0.426 20 0 CCADLP CC[C@@H](C)C[N@@H+]1CCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001405914866 918973803 /nfs/dbraw/zinc/97/38/03/918973803.db2.gz VKHCNGHDRSFMMP-TZMCWYRMSA-N 2 2 294.399 0.815 20 0 CCADLP CC[C@@H](C)C[N@H+]1CCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001405914866 918973810 /nfs/dbraw/zinc/97/38/10/918973810.db2.gz VKHCNGHDRSFMMP-TZMCWYRMSA-N 2 2 294.399 0.815 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]([NH2+]C[C@@H](C)O)C(C)C ZINC001406075610 919032511 /nfs/dbraw/zinc/03/25/11/919032511.db2.gz ZKTFMBPMLZXNRX-MFKMUULPSA-N 2 2 282.388 0.372 20 0 CCADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CN2C[C@@H]3CCO[C@@H]3C2=O)C1 ZINC001333792697 919167095 /nfs/dbraw/zinc/16/70/95/919167095.db2.gz XRGUIDIKDWAJOB-XQLPTFJDSA-N 2 2 293.411 0.607 20 0 CCADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CN2C[C@@H]3CCO[C@@H]3C2=O)C1 ZINC001333792697 919167115 /nfs/dbraw/zinc/16/71/15/919167115.db2.gz XRGUIDIKDWAJOB-XQLPTFJDSA-N 2 2 293.411 0.607 20 0 CCADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2CN2C[C@@H]3CCO[C@@H]3C2=O)C1 ZINC001333792697 919167130 /nfs/dbraw/zinc/16/71/30/919167130.db2.gz XRGUIDIKDWAJOB-XQLPTFJDSA-N 2 2 293.411 0.607 20 0 CCADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2CN2C[C@@H]3CCO[C@@H]3C2=O)C1 ZINC001333792697 919167143 /nfs/dbraw/zinc/16/71/43/919167143.db2.gz XRGUIDIKDWAJOB-XQLPTFJDSA-N 2 2 293.411 0.607 20 0 CCADLP Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)o1 ZINC001406404348 919242412 /nfs/dbraw/zinc/24/24/12/919242412.db2.gz YRCAIPPNPOEPNH-WDEREUQCSA-N 2 2 295.387 0.314 20 0 CCADLP Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)o1 ZINC001406404348 919242426 /nfs/dbraw/zinc/24/24/26/919242426.db2.gz YRCAIPPNPOEPNH-WDEREUQCSA-N 2 2 295.387 0.314 20 0 CCADLP CCc1nnc(C[NH2+]C[C@@H](C)NC(=O)C[NH+]2CCCC2)o1 ZINC001406435786 919260027 /nfs/dbraw/zinc/26/00/27/919260027.db2.gz ULOZJELBRJARSE-LLVKDONJSA-N 2 2 295.387 0.322 20 0 CCADLP [NH3+][C@H]1C[C@H](CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001334194484 919415532 /nfs/dbraw/zinc/41/55/32/919415532.db2.gz CZODXOVURBAIKT-GMTAPVOTSA-N 2 2 263.345 0.234 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001406795713 919462217 /nfs/dbraw/zinc/46/22/17/919462217.db2.gz ZATFRZSLUFXMKA-CMPLNLGQSA-N 2 2 280.372 0.472 20 0 CCADLP C[C@H](F)CC[N@@H+]1CC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001406871923 919512003 /nfs/dbraw/zinc/51/20/03/919512003.db2.gz GDCLHWQWKCTRMB-RYUDHWBXSA-N 2 2 282.363 0.901 20 0 CCADLP C[C@H](F)CC[N@H+]1CC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001406871923 919512022 /nfs/dbraw/zinc/51/20/22/919512022.db2.gz GDCLHWQWKCTRMB-RYUDHWBXSA-N 2 2 282.363 0.901 20 0 CCADLP C[C@@H](F)CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001406871931 919512337 /nfs/dbraw/zinc/51/23/37/919512337.db2.gz GDCLHWQWKCTRMB-VXGBXAGGSA-N 2 2 282.363 0.901 20 0 CCADLP C[C@@H](F)CC[N@H+]1CC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001406871931 919512346 /nfs/dbraw/zinc/51/23/46/919512346.db2.gz GDCLHWQWKCTRMB-VXGBXAGGSA-N 2 2 282.363 0.901 20 0 CCADLP CC[C@H](C[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CC1)OC ZINC001406979944 919563765 /nfs/dbraw/zinc/56/37/65/919563765.db2.gz OYQBRCZQAKURNU-LLVKDONJSA-N 2 2 280.372 0.616 20 0 CCADLP C[C@H](O)CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001407034962 919583272 /nfs/dbraw/zinc/58/32/72/919583272.db2.gz FSYAOICUXQCVBW-JSGCOSHPSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@H](O)CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001407034962 919583282 /nfs/dbraw/zinc/58/32/82/919583282.db2.gz FSYAOICUXQCVBW-JSGCOSHPSA-N 2 2 283.416 0.384 20 0 CCADLP CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H](C)COC ZINC001492972980 919993421 /nfs/dbraw/zinc/99/34/21/919993421.db2.gz VSDMJBGIKAJHME-JHJVBQTASA-N 2 2 294.399 0.986 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H](C)COC ZINC001492972980 919993432 /nfs/dbraw/zinc/99/34/32/919993432.db2.gz VSDMJBGIKAJHME-JHJVBQTASA-N 2 2 294.399 0.986 20 0 CCADLP CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H](C)COC ZINC001492972980 919993443 /nfs/dbraw/zinc/99/34/43/919993443.db2.gz VSDMJBGIKAJHME-JHJVBQTASA-N 2 2 294.399 0.986 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H](C)COC ZINC001492972980 919993457 /nfs/dbraw/zinc/99/34/57/919993457.db2.gz VSDMJBGIKAJHME-JHJVBQTASA-N 2 2 294.399 0.986 20 0 CCADLP Nc1[nH+]cccc1CNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC001414612849 920423253 /nfs/dbraw/zinc/42/32/53/920423253.db2.gz KAZUFSNWYHILND-ZDUSSCGKSA-N 2 2 289.383 0.947 20 0 CCADLP Nc1[nH+]cccc1CNC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001414612849 920423266 /nfs/dbraw/zinc/42/32/66/920423266.db2.gz KAZUFSNWYHILND-ZDUSSCGKSA-N 2 2 289.383 0.947 20 0 CCADLP C[C@H]1CN(C(=O)NCCCn2cc[nH+]c2)CC[C@@H]1C[NH3+] ZINC001335898253 920501683 /nfs/dbraw/zinc/50/16/83/920501683.db2.gz PKFJFRMMRKINEZ-QWHCGFSZSA-N 2 2 279.388 0.900 20 0 CCADLP C[NH+]1CCN(C(=O)CNc2cc[nH+]cc2Cl)CC1 ZINC001336502156 920805406 /nfs/dbraw/zinc/80/54/06/920805406.db2.gz SCWHSQQYKPZOCJ-UHFFFAOYSA-N 2 2 268.748 0.343 20 0 CCADLP [NH3+]CCCOC1CCN(C(=O)C[C@H]([NH3+])C(F)F)CC1 ZINC001336660494 920911926 /nfs/dbraw/zinc/91/19/26/920911926.db2.gz QOKYFWPTCOTYSH-JTQLQIEISA-N 2 2 279.331 0.325 20 0 CCADLP C[C@@H](NC(=O)NCC[NH+]1CCC([NH3+])CC1)C1CCC1 ZINC001336857387 921061129 /nfs/dbraw/zinc/06/11/29/921061129.db2.gz CXOJHPTVWCULKT-LLVKDONJSA-N 2 2 268.405 0.897 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1 ZINC001336876415 921075415 /nfs/dbraw/zinc/07/54/15/921075415.db2.gz GAUJOJPUZSIJPS-MVWJERBFSA-N 2 2 263.345 0.155 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[N@@H+](C)Cc1cnc(C)o1 ZINC001418479362 922163328 /nfs/dbraw/zinc/16/33/28/922163328.db2.gz XNKJOYQWHSZVKL-UHFFFAOYSA-N 2 2 291.355 0.736 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[N@H+](C)Cc1cnc(C)o1 ZINC001418479362 922163334 /nfs/dbraw/zinc/16/33/34/922163334.db2.gz XNKJOYQWHSZVKL-UHFFFAOYSA-N 2 2 291.355 0.736 20 0 CCADLP C[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C[C@H]1C[C@@]12CCOC2 ZINC001418499012 922189785 /nfs/dbraw/zinc/18/97/85/922189785.db2.gz OXSFLMMNAZCFIG-IUODEOHRSA-N 2 2 292.383 0.427 20 0 CCADLP C[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C[C@H]1C[C@@]12CCOC2 ZINC001418499012 922189793 /nfs/dbraw/zinc/18/97/93/922189793.db2.gz OXSFLMMNAZCFIG-IUODEOHRSA-N 2 2 292.383 0.427 20 0 CCADLP C[C@H](C(N)=O)[N@H+](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001418502585 922191598 /nfs/dbraw/zinc/19/15/98/922191598.db2.gz LJSMGCJFEIJPLO-OLZOCXBDSA-N 2 2 298.431 0.173 20 0 CCADLP C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001418502585 922191609 /nfs/dbraw/zinc/19/16/09/922191609.db2.gz LJSMGCJFEIJPLO-OLZOCXBDSA-N 2 2 298.431 0.173 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001418608260 922305374 /nfs/dbraw/zinc/30/53/74/922305374.db2.gz RXSAQHKAXUFVCQ-STQMWFEESA-N 2 2 280.372 0.451 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001418608260 922305384 /nfs/dbraw/zinc/30/53/84/922305384.db2.gz RXSAQHKAXUFVCQ-STQMWFEESA-N 2 2 280.372 0.451 20 0 CCADLP C[C@@H]1C[C@H](C)[C@H](C(=O)NCC[NH+]2CCC([NH3+])CC2)O1 ZINC001341057837 922329981 /nfs/dbraw/zinc/32/99/81/922329981.db2.gz ZNCKGJHNCQINJE-DMDPSCGWSA-N 2 2 269.389 0.339 20 0 CCADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001341066719 922336436 /nfs/dbraw/zinc/33/64/36/922336436.db2.gz QMAULHSJFRHPAL-FOJUNHNLSA-N 2 2 293.411 0.523 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001418666136 922346876 /nfs/dbraw/zinc/34/68/76/922346876.db2.gz MBNYUMNPRPZHRT-RWMBFGLXSA-N 2 2 280.372 0.402 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC001341127714 922352852 /nfs/dbraw/zinc/35/28/52/922352852.db2.gz BRSZWZCQRWUHTD-CNVPUSNMSA-N 2 2 262.357 0.766 20 0 CCADLP CCC[N@H+](CCF)CCNC(=O)Cc1c[nH+]cn1C ZINC001418729825 922392877 /nfs/dbraw/zinc/39/28/77/922392877.db2.gz VKVHJPBGYVFWMQ-UHFFFAOYSA-N 2 2 270.352 0.760 20 0 CCADLP CCC[N@@H+](CCF)CCNC(=O)Cc1c[nH+]cn1C ZINC001418729825 922392891 /nfs/dbraw/zinc/39/28/91/922392891.db2.gz VKVHJPBGYVFWMQ-UHFFFAOYSA-N 2 2 270.352 0.760 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C[NH3+] ZINC001341265065 922401005 /nfs/dbraw/zinc/40/10/05/922401005.db2.gz SSSRGFWBWXGXDF-IJLUTSLNSA-N 2 2 262.357 0.499 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C1=CCC[NH2+]CC1 ZINC001341661536 922611019 /nfs/dbraw/zinc/61/10/19/922611019.db2.gz DBPJQBVVJGMLHE-GFCCVEGCSA-N 2 2 267.373 0.133 20 0 CCADLP C[NH2+]C1CC(C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC001341698144 922634388 /nfs/dbraw/zinc/63/43/88/922634388.db2.gz ZFNSTNVYPANOID-UHFFFAOYSA-N 2 2 269.389 0.211 20 0 CCADLP C[NH2+]C1CC(C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC001341698144 922634398 /nfs/dbraw/zinc/63/43/98/922634398.db2.gz ZFNSTNVYPANOID-UHFFFAOYSA-N 2 2 269.389 0.211 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CC[N@H+](CCCF)C1 ZINC001419174024 922688964 /nfs/dbraw/zinc/68/89/64/922688964.db2.gz BZUVKRZSMBVGEF-GFCCVEGCSA-N 2 2 282.363 0.903 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CC[N@@H+](CCCF)C1 ZINC001419174024 922688972 /nfs/dbraw/zinc/68/89/72/922688972.db2.gz BZUVKRZSMBVGEF-GFCCVEGCSA-N 2 2 282.363 0.903 20 0 CCADLP CCc1[nH+]ccn1CCNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC001419413920 922815288 /nfs/dbraw/zinc/81/52/88/922815288.db2.gz SLHIYWMVUDJRGI-SMDDNHRTSA-N 2 2 280.372 0.017 20 0 CCADLP C[NH2+]C1CC(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)C1 ZINC001342204903 922860393 /nfs/dbraw/zinc/86/03/93/922860393.db2.gz STYLEHYZKTZRGB-OKZRHMCRSA-N 2 2 269.389 0.210 20 0 CCADLP C[NH2+]C1CC(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)C1 ZINC001342204903 922860405 /nfs/dbraw/zinc/86/04/05/922860405.db2.gz STYLEHYZKTZRGB-OKZRHMCRSA-N 2 2 269.389 0.210 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CCC[N@@H+](CCCO)C1 ZINC001419551006 922912100 /nfs/dbraw/zinc/91/21/00/922912100.db2.gz GWSMFEPLFXRQPN-GFCCVEGCSA-N 2 2 280.372 0.163 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CCC[N@H+](CCCO)C1 ZINC001419551006 922912110 /nfs/dbraw/zinc/91/21/10/922912110.db2.gz GWSMFEPLFXRQPN-GFCCVEGCSA-N 2 2 280.372 0.163 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+]C[C@@H]1CCOC1 ZINC001419910927 923159404 /nfs/dbraw/zinc/15/94/04/923159404.db2.gz UYMIDSUOTUTBNU-JQWIXIFHSA-N 2 2 280.372 0.391 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]C[C@H]1CCCCO1 ZINC001419956928 923192033 /nfs/dbraw/zinc/19/20/33/923192033.db2.gz OKPLZEIWTXAHPY-QWHCGFSZSA-N 2 2 280.372 0.547 20 0 CCADLP [NH3+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C12CCC2 ZINC001343199327 923234113 /nfs/dbraw/zinc/23/41/13/923234113.db2.gz ABMDFPMNXNYXFZ-PKZYVASSSA-N 2 2 260.341 0.899 20 0 CCADLP [NH3+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C12CCC2 ZINC001343199327 923234127 /nfs/dbraw/zinc/23/41/27/923234127.db2.gz ABMDFPMNXNYXFZ-PKZYVASSSA-N 2 2 260.341 0.899 20 0 CCADLP Cc1cc(C[NH2+]C[C@@H](C)NC(=O)Cn2cc[nH+]c2)sn1 ZINC001420385737 923606776 /nfs/dbraw/zinc/60/67/76/923606776.db2.gz HUZSQAKJEXZPNF-LLVKDONJSA-N 2 2 293.396 0.943 20 0 CCADLP CCC[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C[C@H]1CCOC1 ZINC001420609130 923821257 /nfs/dbraw/zinc/82/12/57/923821257.db2.gz IPFSPAKRIFYQFI-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP CCC[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C[C@H]1CCOC1 ZINC001420609130 923821266 /nfs/dbraw/zinc/82/12/66/923821266.db2.gz IPFSPAKRIFYQFI-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)NCCCn1cc[nH+]c1 ZINC001346137394 924084044 /nfs/dbraw/zinc/08/40/44/924084044.db2.gz ZMOOWRFSKRQPCY-CHWSQXEVSA-N 2 2 279.388 0.818 20 0 CCADLP CC[NH+]1CCN([C@@H](C)C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC001346179358 924098464 /nfs/dbraw/zinc/09/84/64/924098464.db2.gz JQKDWKRKUPNBKF-GOEBONIOSA-N 3 2 298.475 0.057 20 0 CCADLP CC[NH+]1CCN([C@@H](C)C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC001346179358 924098478 /nfs/dbraw/zinc/09/84/78/924098478.db2.gz JQKDWKRKUPNBKF-GOEBONIOSA-N 3 2 298.475 0.057 20 0 CCADLP CC[NH+]1CCN([C@@H](C)C[NH2+]C[C@@H](O)CN(C)C2CC2)CC1 ZINC001346179358 924098488 /nfs/dbraw/zinc/09/84/88/924098488.db2.gz JQKDWKRKUPNBKF-GOEBONIOSA-N 2 2 298.475 0.057 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)NC1C[NH+](CCCO)C1 ZINC001421073079 924135848 /nfs/dbraw/zinc/13/58/48/924135848.db2.gz JSQSIFHBIWGZPK-UHFFFAOYSA-N 2 2 280.372 0.155 20 0 CCADLP C[C@H](O)CCC[NH+]1CC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001421075929 924136202 /nfs/dbraw/zinc/13/62/02/924136202.db2.gz ZBPUQXLWWQHFDY-KBPBESRZSA-N 2 2 297.443 0.632 20 0 CCADLP C[C@H](O)CCC[NH+]1CC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001421075929 924136208 /nfs/dbraw/zinc/13/62/08/924136208.db2.gz ZBPUQXLWWQHFDY-KBPBESRZSA-N 2 2 297.443 0.632 20 0 CCADLP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1C[NH+](CCF)C1 ZINC001421134521 924171416 /nfs/dbraw/zinc/17/14/16/924171416.db2.gz BFJNZRGXZIOHAH-ZDUSSCGKSA-N 2 2 271.380 0.878 20 0 CCADLP C[N@H+]1CCC[C@H]1CCC(=O)NCC1C[NH+](CCF)C1 ZINC001421134521 924171429 /nfs/dbraw/zinc/17/14/29/924171429.db2.gz BFJNZRGXZIOHAH-ZDUSSCGKSA-N 2 2 271.380 0.878 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@](C)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001421225838 924225177 /nfs/dbraw/zinc/22/51/77/924225177.db2.gz RVSGBKLQANYRHI-ABAIWWIYSA-N 2 2 294.399 0.876 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001421225838 924225188 /nfs/dbraw/zinc/22/51/88/924225188.db2.gz RVSGBKLQANYRHI-ABAIWWIYSA-N 2 2 294.399 0.876 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)N(CCCCO)C2CC2)CC1 ZINC001346571016 924267735 /nfs/dbraw/zinc/26/77/35/924267735.db2.gz WOQAUJOENHEOQS-UHFFFAOYSA-N 2 2 298.431 0.356 20 0 CCADLP C[NH2+]CCCCC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC001346593987 924270843 /nfs/dbraw/zinc/27/08/43/924270843.db2.gz SUCAMUIMFWDEIC-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP C[C@H](C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)n1cc[nH+]c1 ZINC001347722884 924519046 /nfs/dbraw/zinc/51/90/46/924519046.db2.gz CKAAGFVZDRJNPJ-OCCSQVGLSA-N 2 2 262.357 0.998 20 0 CCADLP C[C@H](C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)n1cc[nH+]c1 ZINC001347722884 924519053 /nfs/dbraw/zinc/51/90/53/924519053.db2.gz CKAAGFVZDRJNPJ-OCCSQVGLSA-N 2 2 262.357 0.998 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc[nH+]c(N)n1 ZINC001348170913 924611420 /nfs/dbraw/zinc/61/14/20/924611420.db2.gz AXBRALLUVSGSDR-GHMZBOCLSA-N 2 2 263.345 0.358 20 0 CCADLP C[C@H](C(=O)NCC1([NH3+])CCOCC1)n1cc[nH+]c1 ZINC001349608276 925004846 /nfs/dbraw/zinc/00/48/46/925004846.db2.gz JYVRLOHJFKYGQR-SNVBAGLBSA-N 2 2 252.318 0.068 20 0 CCADLP CON(C)CC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001353325489 925797195 /nfs/dbraw/zinc/79/71/95/925797195.db2.gz TWJZCULDNNYARK-MRXNPFEDSA-N 2 2 293.411 0.706 20 0 CCADLP CON(C)CC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001353325489 925797203 /nfs/dbraw/zinc/79/72/03/925797203.db2.gz TWJZCULDNNYARK-MRXNPFEDSA-N 2 2 293.411 0.706 20 0 CCADLP CON(C)CC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001353325483 925797823 /nfs/dbraw/zinc/79/78/23/925797823.db2.gz TWJZCULDNNYARK-INIZCTEOSA-N 2 2 293.411 0.706 20 0 CCADLP CON(C)CC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001353325483 925797829 /nfs/dbraw/zinc/79/78/29/925797829.db2.gz TWJZCULDNNYARK-INIZCTEOSA-N 2 2 293.411 0.706 20 0 CCADLP CC/C=C\CNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001353405663 925824862 /nfs/dbraw/zinc/82/48/62/925824862.db2.gz KLXZWCZBIYIISA-ARJAWSKDSA-N 2 2 254.378 0.675 20 0 CCADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCC[NH+]2CC=CC2)[nH]n1 ZINC001353625908 925889950 /nfs/dbraw/zinc/88/99/50/925889950.db2.gz CAZWOTBFNVBDNV-CQSZACIVSA-N 2 2 289.383 0.778 20 0 CCADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCC[NH+]2CC=CC2)[nH]n1 ZINC001353625908 925889959 /nfs/dbraw/zinc/88/99/59/925889959.db2.gz CAZWOTBFNVBDNV-CQSZACIVSA-N 2 2 289.383 0.778 20 0 CCADLP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001354286603 926069931 /nfs/dbraw/zinc/06/99/31/926069931.db2.gz SJFJWISRYZRDOK-IQLKVPPVSA-N 2 2 260.341 0.395 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC001354853627 926175820 /nfs/dbraw/zinc/17/58/20/926175820.db2.gz FZIBQVPDCFCPSR-JBZXTQMFSA-N 2 2 295.427 0.769 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NCCNc2ccc(C)c[nH+]2)C1 ZINC001355138185 926218048 /nfs/dbraw/zinc/21/80/48/926218048.db2.gz LQNJWRABBHGPEX-ZDUSSCGKSA-N 2 2 292.383 0.639 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NCCNc2ccc(C)c[nH+]2)C1 ZINC001355138185 926218054 /nfs/dbraw/zinc/21/80/54/926218054.db2.gz LQNJWRABBHGPEX-ZDUSSCGKSA-N 2 2 292.383 0.639 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC001357452912 926533739 /nfs/dbraw/zinc/53/37/39/926533739.db2.gz ICPXGSUXLDDMMF-WDEREUQCSA-N 2 2 250.346 0.847 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC001357452912 926533746 /nfs/dbraw/zinc/53/37/46/926533746.db2.gz ICPXGSUXLDDMMF-WDEREUQCSA-N 2 2 250.346 0.847 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC001357457022 926535272 /nfs/dbraw/zinc/53/52/72/926535272.db2.gz AIDSOFBMAWVXCT-GMTAPVOTSA-N 2 2 250.346 0.845 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC001357457022 926535283 /nfs/dbraw/zinc/53/52/83/926535283.db2.gz AIDSOFBMAWVXCT-GMTAPVOTSA-N 2 2 250.346 0.845 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@@]1(O)CC[N@H+](CCCF)C1 ZINC001421366374 926703930 /nfs/dbraw/zinc/70/39/30/926703930.db2.gz CYFKNRJJEMKEOX-AWEZNQCLSA-N 2 2 298.362 0.186 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@@]1(O)CC[N@@H+](CCCF)C1 ZINC001421366374 926703938 /nfs/dbraw/zinc/70/39/38/926703938.db2.gz CYFKNRJJEMKEOX-AWEZNQCLSA-N 2 2 298.362 0.186 20 0 CCADLP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]C[C@H]1CCCOC1 ZINC001421455189 926758222 /nfs/dbraw/zinc/75/82/22/926758222.db2.gz HATFPDYWGMVMML-OLZOCXBDSA-N 2 2 294.399 0.863 20 0 CCADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC[C@H]1CCCO1 ZINC001421510262 926784011 /nfs/dbraw/zinc/78/40/11/926784011.db2.gz SDFFHFNSBITITQ-ZIAGYGMSSA-N 2 2 294.399 0.937 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]Cc1cnns1 ZINC001421746559 926888894 /nfs/dbraw/zinc/88/88/94/926888894.db2.gz LDTJBZNQKSNTBZ-VIFPVBQESA-N 2 2 294.384 0.346 20 0 CCADLP Cn1cnnc1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000150300332 926951057 /nfs/dbraw/zinc/95/10/57/926951057.db2.gz AOVZOABCOCBXRV-UHFFFAOYSA-N 2 2 253.350 0.145 20 0 CCADLP COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC001421915586 926991740 /nfs/dbraw/zinc/99/17/40/926991740.db2.gz JOFSDGNSVFIAIU-GFCCVEGCSA-N 2 2 294.355 0.027 20 0 CCADLP COC(=O)CNC(=O)[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC001421915586 926991747 /nfs/dbraw/zinc/99/17/47/926991747.db2.gz JOFSDGNSVFIAIU-GFCCVEGCSA-N 2 2 294.355 0.027 20 0 CCADLP CC[NH2+][C@@]1(CO)CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001421972678 927022879 /nfs/dbraw/zinc/02/28/79/927022879.db2.gz NLROMRHSGLHPPY-HNNXBMFYSA-N 2 2 294.399 0.316 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@H](c2cnccn2)C1)C1CC1 ZINC001422327647 927221921 /nfs/dbraw/zinc/22/19/21/927221921.db2.gz SJXLNMSBAXYBMZ-GXTWGEPZSA-N 2 2 276.384 0.721 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@H](c2cnccn2)C1)C1CC1 ZINC001422327647 927221932 /nfs/dbraw/zinc/22/19/32/927221932.db2.gz SJXLNMSBAXYBMZ-GXTWGEPZSA-N 2 2 276.384 0.721 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@H](c2cnccn2)C1)C1CC1 ZINC001422327647 927221944 /nfs/dbraw/zinc/22/19/44/927221944.db2.gz SJXLNMSBAXYBMZ-GXTWGEPZSA-N 2 2 276.384 0.721 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@H](c2cnccn2)C1)C1CC1 ZINC001422327647 927221957 /nfs/dbraw/zinc/22/19/57/927221957.db2.gz SJXLNMSBAXYBMZ-GXTWGEPZSA-N 2 2 276.384 0.721 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N[C@H](C)C[NH2+]C[C@H](C)O ZINC001422508640 927333783 /nfs/dbraw/zinc/33/37/83/927333783.db2.gz UNWHFWLYLHZYKK-MNOVXSKESA-N 2 2 281.356 0.108 20 0 CCADLP CC[C@@H](C(=O)NC[C@H]1CC[NH+](C)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC001361832827 927366993 /nfs/dbraw/zinc/36/69/93/927366993.db2.gz ICQNRKCBQRVYEV-KFWWJZLASA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@@H](C(=O)NC[C@H]1CC[NH+](C)C1)[N@H+]1CCO[C@H](CC)C1 ZINC001361832827 927367004 /nfs/dbraw/zinc/36/70/04/927367004.db2.gz ICQNRKCBQRVYEV-KFWWJZLASA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@@H](C(=O)NC[C@H]1CC[N@H+](C)C1)[NH+]1CCO[C@H](CC)C1 ZINC001361832827 927367011 /nfs/dbraw/zinc/36/70/11/927367011.db2.gz ICQNRKCBQRVYEV-KFWWJZLASA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](C)C1)[NH+]1CCO[C@H](CC)C1 ZINC001361832827 927367027 /nfs/dbraw/zinc/36/70/27/927367027.db2.gz ICQNRKCBQRVYEV-KFWWJZLASA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H](C[NH2+]C[C@@H]1CCCCO1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001422573692 927380402 /nfs/dbraw/zinc/38/04/02/927380402.db2.gz XFCKCQWWQRKMGB-YPMHNXCESA-N 2 2 280.372 0.616 20 0 CCADLP CCC[NH+]1CC(CCO)(NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001422649325 927436445 /nfs/dbraw/zinc/43/64/45/927436445.db2.gz YTVKKBJXCJMIOX-CQSZACIVSA-N 2 2 297.443 0.824 20 0 CCADLP CCC[NH+]1CC(CCO)(NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001422649325 927436452 /nfs/dbraw/zinc/43/64/52/927436452.db2.gz YTVKKBJXCJMIOX-CQSZACIVSA-N 2 2 297.443 0.824 20 0 CCADLP Cc1cnc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001422706510 927461619 /nfs/dbraw/zinc/46/16/19/927461619.db2.gz UQJCVTSHOLCNNQ-CMPLNLGQSA-N 2 2 280.372 0.672 20 0 CCADLP Cc1cnc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001422706510 927461624 /nfs/dbraw/zinc/46/16/24/927461624.db2.gz UQJCVTSHOLCNNQ-CMPLNLGQSA-N 2 2 280.372 0.672 20 0 CCADLP COC[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001422751107 927488124 /nfs/dbraw/zinc/48/81/24/927488124.db2.gz AVDKSFPHFHVNEV-GHMZBOCLSA-N 2 2 294.399 0.732 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC001362064163 927575347 /nfs/dbraw/zinc/57/53/47/927575347.db2.gz GSIWMUWBJRAOQG-ZDUSSCGKSA-N 2 2 294.399 0.830 20 0 CCADLP CC(C)[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]C[C@@H](C)O ZINC001422970518 927612501 /nfs/dbraw/zinc/61/25/01/927612501.db2.gz QWHWPMXPIDURBO-DGCLKSJQSA-N 2 2 282.388 0.454 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)[NH2+]CCC(C)C ZINC001423292046 927794256 /nfs/dbraw/zinc/79/42/56/927794256.db2.gz WLYMUQOXMOCZJY-LBPRGKRZSA-N 2 2 282.388 0.373 20 0 CCADLP CC(C)[NH2+]CCN(CCO)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001424043562 928074950 /nfs/dbraw/zinc/07/49/50/928074950.db2.gz BNGUXBILHYGBLW-UHFFFAOYSA-N 2 2 282.388 0.506 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001424127135 928107015 /nfs/dbraw/zinc/10/70/15/928107015.db2.gz UHZOYTYBYZTGTO-GJZGRUSLSA-N 2 2 297.443 0.945 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001424127135 928107025 /nfs/dbraw/zinc/10/70/25/928107025.db2.gz UHZOYTYBYZTGTO-GJZGRUSLSA-N 2 2 297.443 0.945 20 0 CCADLP CCCC[NH+]1CCOC[C@@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001424127135 928107037 /nfs/dbraw/zinc/10/70/37/928107037.db2.gz UHZOYTYBYZTGTO-GJZGRUSLSA-N 2 2 297.443 0.945 20 0 CCADLP CCCC[NH+]1CCOC[C@@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001424127135 928107045 /nfs/dbraw/zinc/10/70/45/928107045.db2.gz UHZOYTYBYZTGTO-GJZGRUSLSA-N 2 2 297.443 0.945 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001425510369 928570162 /nfs/dbraw/zinc/57/01/62/928570162.db2.gz OVJYLEUBNUBYAT-YPMHNXCESA-N 2 2 280.372 0.091 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001362853063 928573774 /nfs/dbraw/zinc/57/37/74/928573774.db2.gz SJYLIUZZUVUYFF-ZDUSSCGKSA-N 2 2 292.383 0.712 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001425611846 928604516 /nfs/dbraw/zinc/60/45/16/928604516.db2.gz SQFJVHJLCKVQLG-QWHCGFSZSA-N 2 2 296.415 0.824 20 0 CCADLP C[C@@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccccn1 ZINC001425659535 928619931 /nfs/dbraw/zinc/61/99/31/928619931.db2.gz FHSFXJAJHMHKOA-LBPRGKRZSA-N 2 2 287.367 0.984 20 0 CCADLP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCc1c[nH+]cn1C ZINC001362906030 928638183 /nfs/dbraw/zinc/63/81/83/928638183.db2.gz RHOSVALPSFTFFS-STQMWFEESA-N 2 2 294.399 0.266 20 0 CCADLP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CCc1c[nH+]cn1C ZINC001362906030 928638190 /nfs/dbraw/zinc/63/81/90/928638190.db2.gz RHOSVALPSFTFFS-STQMWFEESA-N 2 2 294.399 0.266 20 0 CCADLP CCCC[NH+]1CC(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001443558576 929645032 /nfs/dbraw/zinc/64/50/32/929645032.db2.gz MPUPCSGQENGWLX-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP Cc1noc(C[NH2+][C@H](C)CCNC(=O)Cn2cc[nH+]c2)n1 ZINC001371886907 929653348 /nfs/dbraw/zinc/65/33/48/929653348.db2.gz AFWONXUKLVZDHQ-SNVBAGLBSA-N 2 2 292.343 0.259 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC001443774557 929697464 /nfs/dbraw/zinc/69/74/64/929697464.db2.gz XUFYYCXESPFMSY-QWHCGFSZSA-N 2 2 251.374 0.681 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC001443774557 929697470 /nfs/dbraw/zinc/69/74/70/929697470.db2.gz XUFYYCXESPFMSY-QWHCGFSZSA-N 2 2 251.374 0.681 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC001443774557 929697472 /nfs/dbraw/zinc/69/74/72/929697472.db2.gz XUFYYCXESPFMSY-QWHCGFSZSA-N 2 2 251.374 0.681 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001443774557 929697476 /nfs/dbraw/zinc/69/74/76/929697476.db2.gz XUFYYCXESPFMSY-QWHCGFSZSA-N 2 2 251.374 0.681 20 0 CCADLP C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](CCCO)C1)n1cc[nH+]c1 ZINC001443828765 929716105 /nfs/dbraw/zinc/71/61/05/929716105.db2.gz WRYPGWBLMMWICE-ZIAGYGMSSA-N 2 2 294.399 0.749 20 0 CCADLP C[C@H](CC(=O)N(C)[C@@H]1CC[N@@H+](CCCO)C1)n1cc[nH+]c1 ZINC001443828765 929716119 /nfs/dbraw/zinc/71/61/19/929716119.db2.gz WRYPGWBLMMWICE-ZIAGYGMSSA-N 2 2 294.399 0.749 20 0 CCADLP CC[C@@H](C(=O)NCC[N@H+](C)Cc1cnoc1C)[NH+](C)C ZINC001372188180 929760893 /nfs/dbraw/zinc/76/08/93/929760893.db2.gz INUCLPMJPHMASA-ZDUSSCGKSA-N 2 2 282.388 0.871 20 0 CCADLP CC[C@@H](C(=O)NCC[N@@H+](C)Cc1cnoc1C)[NH+](C)C ZINC001372188180 929760901 /nfs/dbraw/zinc/76/09/01/929760901.db2.gz INUCLPMJPHMASA-ZDUSSCGKSA-N 2 2 282.388 0.871 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001444192839 929808387 /nfs/dbraw/zinc/80/83/87/929808387.db2.gz RRKQDEFWXKPCRS-MGPQQGTHSA-N 2 2 294.399 0.935 20 0 CCADLP C[C@@H]1CCC[N@@H+]1CCNC(=O)NCc1ccc[nH+]c1N ZINC001372844898 929984441 /nfs/dbraw/zinc/98/44/41/929984441.db2.gz FDDBZDJIRATPGU-LLVKDONJSA-N 2 2 277.372 0.947 20 0 CCADLP C[C@@H]1CCC[N@H+]1CCNC(=O)NCc1ccc[nH+]c1N ZINC001372844898 929984450 /nfs/dbraw/zinc/98/44/50/929984450.db2.gz FDDBZDJIRATPGU-LLVKDONJSA-N 2 2 277.372 0.947 20 0 CCADLP C[C@@H](C(=O)N(C)CC[N@H+](C)CC(N)=O)[NH+]1CCCCCC1 ZINC001445047219 930014541 /nfs/dbraw/zinc/01/45/41/930014541.db2.gz OSURVINOKZDIHC-ZDUSSCGKSA-N 2 2 298.431 0.126 20 0 CCADLP C[C@@H](C(=O)N(C)CC[N@@H+](C)CC(N)=O)[NH+]1CCCCCC1 ZINC001445047219 930014547 /nfs/dbraw/zinc/01/45/47/930014547.db2.gz OSURVINOKZDIHC-ZDUSSCGKSA-N 2 2 298.431 0.126 20 0 CCADLP COC[C@@H](C)[NH+]1CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001373526013 930231912 /nfs/dbraw/zinc/23/19/12/930231912.db2.gz JUUORSSSPHYMNF-GFCCVEGCSA-N 2 2 280.372 0.356 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)CC(=O)NC ZINC001445885839 930280185 /nfs/dbraw/zinc/28/01/85/930280185.db2.gz RNMGEPQATXCNSH-CHWSQXEVSA-N 2 2 298.431 0.043 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)CC(=O)NC ZINC001445885839 930280192 /nfs/dbraw/zinc/28/01/92/930280192.db2.gz RNMGEPQATXCNSH-CHWSQXEVSA-N 2 2 298.431 0.043 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)CC(=O)NC ZINC001445885839 930280201 /nfs/dbraw/zinc/28/02/01/930280201.db2.gz RNMGEPQATXCNSH-CHWSQXEVSA-N 2 2 298.431 0.043 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC ZINC001445885839 930280211 /nfs/dbraw/zinc/28/02/11/930280211.db2.gz RNMGEPQATXCNSH-CHWSQXEVSA-N 2 2 298.431 0.043 20 0 CCADLP COC[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001373965315 930379958 /nfs/dbraw/zinc/37/99/58/930379958.db2.gz OSXCAARUQMPGEV-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]C[C@@H]1CCOC1 ZINC001374090039 930421767 /nfs/dbraw/zinc/42/17/67/930421767.db2.gz IVFULXRVRIFVIL-NEPJUHHUSA-N 2 2 280.372 0.331 20 0 CCADLP CC(C)[N@@H+]1CCO[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001374148655 930437006 /nfs/dbraw/zinc/43/70/06/930437006.db2.gz HYDIKYPSOWZUFB-CYBMUJFWSA-N 2 2 280.372 0.188 20 0 CCADLP CC(C)[N@H+]1CCO[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001374148655 930437013 /nfs/dbraw/zinc/43/70/13/930437013.db2.gz HYDIKYPSOWZUFB-CYBMUJFWSA-N 2 2 280.372 0.188 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NCC1([NH2+]CCO)CCCC1 ZINC001374181025 930443612 /nfs/dbraw/zinc/44/36/12/930443612.db2.gz YLGOQKGRBZVKMA-UHFFFAOYSA-N 2 2 294.399 0.674 20 0 CCADLP COCC[N@H+](C)CCN(C)C(=O)CCc1[nH+]ccn1C ZINC001374516004 930541823 /nfs/dbraw/zinc/54/18/23/930541823.db2.gz SXPYPLCTLGIYBZ-UHFFFAOYSA-N 2 2 282.388 0.389 20 0 CCADLP COCC[N@@H+](C)CCN(C)C(=O)CCc1[nH+]ccn1C ZINC001374516004 930541835 /nfs/dbraw/zinc/54/18/35/930541835.db2.gz SXPYPLCTLGIYBZ-UHFFFAOYSA-N 2 2 282.388 0.389 20 0 CCADLP CO[C@H](C)C[NH2+]C1(CNC(=O)Cc2[nH]c[nH+]c2C)CCC1 ZINC001447263626 930596487 /nfs/dbraw/zinc/59/64/87/930596487.db2.gz UCKXGKAFRDEDIN-LLVKDONJSA-N 2 2 294.399 0.924 20 0 CCADLP Cc1nc(N(C)CCNC(=O)C23CC[NH+](CC2)C3)cc[nH+]1 ZINC001374797210 930667747 /nfs/dbraw/zinc/66/77/47/930667747.db2.gz ZXNOCMTWAOXCIE-UHFFFAOYSA-N 2 2 289.383 0.433 20 0 CCADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)[NH2+]Cc1ccccn1 ZINC001447933858 930758885 /nfs/dbraw/zinc/75/88/85/930758885.db2.gz CSTGFHWKMMCXHB-CHWSQXEVSA-N 2 2 287.367 0.961 20 0 CCADLP C[C@@H]([NH2+]Cc1ccccn1)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001447933859 930760099 /nfs/dbraw/zinc/76/00/99/930760099.db2.gz CSTGFHWKMMCXHB-OLZOCXBDSA-N 2 2 287.367 0.961 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@H](C)[N@H+](C)CCO)c[nH+]1 ZINC001448040806 930796940 /nfs/dbraw/zinc/79/69/40/930796940.db2.gz VCFBNKJKMPFHAX-LBPRGKRZSA-N 2 2 282.388 0.355 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@H](C)[N@@H+](C)CCO)c[nH+]1 ZINC001448040806 930796948 /nfs/dbraw/zinc/79/69/48/930796948.db2.gz VCFBNKJKMPFHAX-LBPRGKRZSA-N 2 2 282.388 0.355 20 0 CCADLP COCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001448046023 930800719 /nfs/dbraw/zinc/80/07/19/930800719.db2.gz NCRUESVFGVFZCJ-OLZOCXBDSA-N 2 2 294.399 0.528 20 0 CCADLP COCC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001448046023 930800721 /nfs/dbraw/zinc/80/07/21/930800721.db2.gz NCRUESVFGVFZCJ-OLZOCXBDSA-N 2 2 294.399 0.528 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)Cc1cccnc1 ZINC001448142960 930835201 /nfs/dbraw/zinc/83/52/01/930835201.db2.gz TWNDUTZCJBOODU-ZDUSSCGKSA-N 2 2 287.367 0.915 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)Cc1cccnc1 ZINC001448142960 930835210 /nfs/dbraw/zinc/83/52/10/930835210.db2.gz TWNDUTZCJBOODU-ZDUSSCGKSA-N 2 2 287.367 0.915 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@H]2CC[N@@H+]2CCCO)c[nH+]1 ZINC001375318311 930852284 /nfs/dbraw/zinc/85/22/84/930852284.db2.gz HKGGYEDXLOQWOG-CYBMUJFWSA-N 2 2 294.399 0.500 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@H]2CC[N@H+]2CCCO)c[nH+]1 ZINC001375318311 930852294 /nfs/dbraw/zinc/85/22/94/930852294.db2.gz HKGGYEDXLOQWOG-CYBMUJFWSA-N 2 2 294.399 0.500 20 0 CCADLP CCC[NH2+][C@H](C)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001448461949 930893588 /nfs/dbraw/zinc/89/35/88/930893588.db2.gz HVIGGAWWANOMFS-DGCLKSJQSA-N 2 2 280.372 0.568 20 0 CCADLP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]C[C@@H]1CCCCO1 ZINC001448788722 930981731 /nfs/dbraw/zinc/98/17/31/930981731.db2.gz FINPRPYSOYPKKX-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]1(C)CC[N@H+](CCO)C1 ZINC001375845164 930989420 /nfs/dbraw/zinc/98/94/20/930989420.db2.gz CLQMBWPIUWLZQI-BXUZGUMPSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]1(C)CC[N@@H+](CCO)C1 ZINC001375845164 930989435 /nfs/dbraw/zinc/98/94/35/930989435.db2.gz CLQMBWPIUWLZQI-BXUZGUMPSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]1(C)CC[N@H+](CCO)C1 ZINC001375845164 930989443 /nfs/dbraw/zinc/98/94/43/930989443.db2.gz CLQMBWPIUWLZQI-BXUZGUMPSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]1(C)CC[N@@H+](CCO)C1 ZINC001375845164 930989451 /nfs/dbraw/zinc/98/94/51/930989451.db2.gz CLQMBWPIUWLZQI-BXUZGUMPSA-N 2 2 280.372 0.161 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](CO)[NH2+]CC[C@H](C)F ZINC001448933056 931031988 /nfs/dbraw/zinc/03/19/88/931031988.db2.gz BXORDISIRKNDRZ-GXSJLCMTSA-N 2 2 286.351 0.075 20 0 CCADLP C[C@@H](O)C[N@H+](C)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001376289530 931113763 /nfs/dbraw/zinc/11/37/63/931113763.db2.gz JIDQQQIXGSUURA-ZIAGYGMSSA-N 2 2 294.399 0.434 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001376289530 931113769 /nfs/dbraw/zinc/11/37/69/931113769.db2.gz JIDQQQIXGSUURA-ZIAGYGMSSA-N 2 2 294.399 0.434 20 0 CCADLP C[C@@H](CC[NH+](C)C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC001449962624 931211587 /nfs/dbraw/zinc/21/15/87/931211587.db2.gz DDXDLSAJWYVPNO-QWRGUYRKSA-N 2 2 250.346 0.512 20 0 CCADLP CC(C)c1noc(C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C)n1 ZINC001376804468 931281743 /nfs/dbraw/zinc/28/17/43/931281743.db2.gz BWKFRPGONSHHHY-LLVKDONJSA-N 2 2 297.403 0.739 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]Cc1cnon1)[NH+](C)C ZINC001376845026 931302562 /nfs/dbraw/zinc/30/25/62/931302562.db2.gz FOUSWKUUDKSHJR-CMPLNLGQSA-N 2 2 283.376 0.250 20 0 CCADLP C[N@@H+]1CC[C@@H]([NH2+]C2CC[NH+](CC(=O)[O-])CC2)CC1(C)C ZINC001588870954 962075688 /nfs/dbraw/zinc/07/56/88/962075688.db2.gz UEEQZUJIFSOUMP-CYBMUJFWSA-N 2 2 283.416 0.998 20 0 CCADLP C[N@H+]1CC[C@@H]([NH2+]C2CC[NH+](CC(=O)[O-])CC2)CC1(C)C ZINC001588870954 962075704 /nfs/dbraw/zinc/07/57/04/962075704.db2.gz UEEQZUJIFSOUMP-CYBMUJFWSA-N 2 2 283.416 0.998 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](Cc2ccccn2)CC1 ZINC000091689207 349472860 /nfs/dbraw/zinc/47/28/60/349472860.db2.gz DKDKEYMXSDLAOA-OAHLLOKOSA-N 2 2 288.395 0.996 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](Cc2ccccn2)CC1 ZINC000091689207 349472862 /nfs/dbraw/zinc/47/28/62/349472862.db2.gz DKDKEYMXSDLAOA-OAHLLOKOSA-N 2 2 288.395 0.996 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCCn1cc[nH+]c1 ZINC000092956398 349515496 /nfs/dbraw/zinc/51/54/96/349515496.db2.gz AGVAELPCKDSVPY-NWDGAFQWSA-N 2 2 250.346 0.778 20 0 CCADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000092954613 349514546 /nfs/dbraw/zinc/51/45/46/349514546.db2.gz IUJBECBVGOWFMO-HIFRSBDPSA-N 2 2 288.395 0.724 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000092953756 349514662 /nfs/dbraw/zinc/51/46/62/349514662.db2.gz OXVBXFAWFDKCKO-DZGCQCFKSA-N 2 2 288.395 0.724 20 0 CCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000092953758 349514702 /nfs/dbraw/zinc/51/47/02/349514702.db2.gz OXVBXFAWFDKCKO-ZFWWWQNUSA-N 2 2 288.395 0.724 20 0 CCADLP COC(=O)c1ccc(C[NH2+]CCC[NH+]2CCOCC2)[nH]1 ZINC000093084237 349523404 /nfs/dbraw/zinc/52/34/04/349523404.db2.gz SMDXOBPZMOYLIM-UHFFFAOYSA-N 2 2 281.356 0.613 20 0 CCADLP C[C@H]1SCC[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H]1C ZINC000093174875 349529776 /nfs/dbraw/zinc/52/97/76/349529776.db2.gz SLWYYQBZGCIVAV-VXGBXAGGSA-N 2 2 271.430 0.586 20 0 CCADLP C[C@H]1SCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H]1C ZINC000093174875 349529779 /nfs/dbraw/zinc/52/97/79/349529779.db2.gz SLWYYQBZGCIVAV-VXGBXAGGSA-N 2 2 271.430 0.586 20 0 CCADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093178908 349529817 /nfs/dbraw/zinc/52/98/17/349529817.db2.gz VWTRKZKUTVKOSB-CQSZACIVSA-N 3 2 282.432 0.034 20 0 CCADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093178908 349529819 /nfs/dbraw/zinc/52/98/19/349529819.db2.gz VWTRKZKUTVKOSB-CQSZACIVSA-N 3 2 282.432 0.034 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093178908 349529822 /nfs/dbraw/zinc/52/98/22/349529822.db2.gz VWTRKZKUTVKOSB-CQSZACIVSA-N 3 2 282.432 0.034 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093178908 349529826 /nfs/dbraw/zinc/52/98/26/349529826.db2.gz VWTRKZKUTVKOSB-CQSZACIVSA-N 3 2 282.432 0.034 20 0 CCADLP C[C@@H](c1ccncc1)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093226592 349532511 /nfs/dbraw/zinc/53/25/11/349532511.db2.gz MQJJEZMEOVDZPB-ZDUSSCGKSA-N 2 2 276.384 0.848 20 0 CCADLP C[C@@H](c1ccncc1)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093226592 349532517 /nfs/dbraw/zinc/53/25/17/349532517.db2.gz MQJJEZMEOVDZPB-ZDUSSCGKSA-N 2 2 276.384 0.848 20 0 CCADLP C[N@H+](CC(=O)NCC[NH+]1CCC1)Cc1ccccc1 ZINC000337611587 214180777 /nfs/dbraw/zinc/18/07/77/214180777.db2.gz YWENBVJDAKXVTA-UHFFFAOYSA-N 2 2 261.369 0.940 20 0 CCADLP C[N@@H+](CC(=O)NCC[NH+]1CCC1)Cc1ccccc1 ZINC000337611587 214180778 /nfs/dbraw/zinc/18/07/78/214180778.db2.gz YWENBVJDAKXVTA-UHFFFAOYSA-N 2 2 261.369 0.940 20 0 CCADLP CCN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@H]1CC[N@H+](C)C1 ZINC000617550578 365669302 /nfs/dbraw/zinc/66/93/02/365669302.db2.gz YDTWPQQJBAHHJL-OCCSQVGLSA-N 2 2 276.384 0.998 20 0 CCADLP CCN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@H]1CC[N@@H+](C)C1 ZINC000617550578 365669309 /nfs/dbraw/zinc/66/93/09/365669309.db2.gz YDTWPQQJBAHHJL-OCCSQVGLSA-N 2 2 276.384 0.998 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094342078 349567953 /nfs/dbraw/zinc/56/79/53/349567953.db2.gz GUEUMGWJWUPGGI-MNOVXSKESA-N 2 2 270.377 0.281 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094342078 349567956 /nfs/dbraw/zinc/56/79/56/349567956.db2.gz GUEUMGWJWUPGGI-MNOVXSKESA-N 2 2 270.377 0.281 20 0 CCADLP Cc1cc(NC(=O)C[NH+]2CCC(OCCC[NH3+])CC2)on1 ZINC000094072490 349560115 /nfs/dbraw/zinc/56/01/15/349560115.db2.gz KBPPNZXQTXZKSY-UHFFFAOYSA-N 2 2 296.371 0.751 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000336714928 282135897 /nfs/dbraw/zinc/13/58/97/282135897.db2.gz RCJCPGYFNJGTPT-GFCCVEGCSA-N 2 2 274.430 0.695 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000336714928 282135898 /nfs/dbraw/zinc/13/58/98/282135898.db2.gz RCJCPGYFNJGTPT-GFCCVEGCSA-N 2 2 274.430 0.695 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)NCCCNc1cccc[nH+]1 ZINC000262812684 536564429 /nfs/dbraw/zinc/56/44/29/536564429.db2.gz GAWJNLINMZYDFW-NSHDSACASA-N 2 2 266.345 0.364 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000096785946 349622977 /nfs/dbraw/zinc/62/29/77/349622977.db2.gz GUERAHZBHZJKAJ-LBPRGKRZSA-N 2 2 262.357 0.610 20 0 CCADLP CN(C)S(=O)(=O)CCC[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000430631016 282152653 /nfs/dbraw/zinc/15/26/53/282152653.db2.gz ZNOZDUJPUHAGNS-LLVKDONJSA-N 2 2 263.407 0.081 20 0 CCADLP CN(C)S(=O)(=O)CCC[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000430631016 282152656 /nfs/dbraw/zinc/15/26/56/282152656.db2.gz ZNOZDUJPUHAGNS-LLVKDONJSA-N 2 2 263.407 0.081 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[N@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000423900123 529417285 /nfs/dbraw/zinc/41/72/85/529417285.db2.gz RIUORDCJZLPWSL-DYEKYZERSA-N 2 2 299.415 0.456 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[N@@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000423900123 529417286 /nfs/dbraw/zinc/41/72/86/529417286.db2.gz RIUORDCJZLPWSL-DYEKYZERSA-N 2 2 299.415 0.456 20 0 CCADLP COC[C@]1(CNC(=O)c2ccc3[nH+]ccn3c2)CCC[NH2+]1 ZINC000357262956 536686562 /nfs/dbraw/zinc/68/65/62/536686562.db2.gz WWQCZRVABKKIIF-OAHLLOKOSA-N 2 2 288.351 0.833 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000493522679 529558742 /nfs/dbraw/zinc/55/87/42/529558742.db2.gz LZNVFTORACQYQA-YGABWQLJSA-N 2 2 278.356 0.050 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000418704931 529559303 /nfs/dbraw/zinc/55/93/03/529559303.db2.gz DCDXYPFNVRYHBC-GFCCVEGCSA-N 2 2 292.387 0.354 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000417897779 529562367 /nfs/dbraw/zinc/56/23/67/529562367.db2.gz YIUYEHMVTODJQD-LLVKDONJSA-N 2 2 261.329 0.871 20 0 CCADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)NCc1ccccc1F ZINC000107576561 349738593 /nfs/dbraw/zinc/73/85/93/349738593.db2.gz NHVWSMDEVQMMSV-STQMWFEESA-N 2 2 277.343 0.593 20 0 CCADLP CC[C@@H]1CCCCN1C(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107575995 349738935 /nfs/dbraw/zinc/73/89/35/349738935.db2.gz XNDWDCYMROXTAC-MGPQQGTHSA-N 2 2 265.401 0.929 20 0 CCADLP C[N@@H+]1CCC[C@@H](CNC(=O)NCCCn2cc[nH+]c2)C1 ZINC000108537020 349748849 /nfs/dbraw/zinc/74/88/49/349748849.db2.gz IJMVMZCDVFYQCG-ZDUSSCGKSA-N 2 2 279.388 0.914 20 0 CCADLP O=C(NCC[NH+]1CCOCC1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108536613 349748879 /nfs/dbraw/zinc/74/88/79/349748879.db2.gz DEPNSZMMJIINOS-CQSZACIVSA-N 2 2 296.415 0.102 20 0 CCADLP COC(=O)c1cnc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cn1 ZINC000600710904 362042577 /nfs/dbraw/zinc/04/25/77/362042577.db2.gz QPJMUAYFJVWLSY-GFCCVEGCSA-N 2 2 278.356 0.741 20 0 CCADLP CC(C)[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH+]1CCN(C)CC1 ZINC000112913929 349795046 /nfs/dbraw/zinc/79/50/46/349795046.db2.gz JMFQNZZSMMSDMJ-HNNXBMFYSA-N 2 2 298.475 0.715 20 0 CCADLP CC(C)[C@H](CNC(=O)C[N@@H+](C)C(C)C)[NH+]1CCN(C)CC1 ZINC000112913929 349795047 /nfs/dbraw/zinc/79/50/47/349795047.db2.gz JMFQNZZSMMSDMJ-HNNXBMFYSA-N 2 2 298.475 0.715 20 0 CCADLP CC(C)[C@H](CNC(=O)C[N@H+](C)C(C)C)N1CC[NH+](C)CC1 ZINC000112913929 349795050 /nfs/dbraw/zinc/79/50/50/349795050.db2.gz JMFQNZZSMMSDMJ-HNNXBMFYSA-N 2 2 298.475 0.715 20 0 CCADLP CC(C)[C@H](CNC(=O)C[N@@H+](C)C(C)C)N1CC[NH+](C)CC1 ZINC000112913929 349795052 /nfs/dbraw/zinc/79/50/52/349795052.db2.gz JMFQNZZSMMSDMJ-HNNXBMFYSA-N 2 2 298.475 0.715 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)[C@H](C)[NH+]1CCOCC1 ZINC000601000437 362123972 /nfs/dbraw/zinc/12/39/72/362123972.db2.gz BPXZFFQRDJQURV-IHRRRGAJSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)[C@H](C)[NH+]1CCOCC1 ZINC000601000437 362123974 /nfs/dbraw/zinc/12/39/74/362123974.db2.gz BPXZFFQRDJQURV-IHRRRGAJSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)CCCn2cc[nH+]c2)[C@@H](C)CO1 ZINC000617733067 365742542 /nfs/dbraw/zinc/74/25/42/365742542.db2.gz MYMYCDKBMKDCKX-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)CCCn2cc[nH+]c2)[C@@H](C)CO1 ZINC000617733067 365742534 /nfs/dbraw/zinc/74/25/34/365742534.db2.gz MYMYCDKBMKDCKX-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)CCCn1cc[nH+]c1 ZINC000617733068 365742911 /nfs/dbraw/zinc/74/29/11/365742911.db2.gz MYMYCDKBMKDCKX-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)CCCn1cc[nH+]c1 ZINC000617733068 365742918 /nfs/dbraw/zinc/74/29/18/365742918.db2.gz MYMYCDKBMKDCKX-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP COC(=O)c1cnc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cn1 ZINC000601334946 362231604 /nfs/dbraw/zinc/23/16/04/362231604.db2.gz OVRIZDPZYZYDQG-SMDDNHRTSA-N 2 2 290.367 0.837 20 0 CCADLP COC(=O)c1cnc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cn1 ZINC000601334946 362231607 /nfs/dbraw/zinc/23/16/07/362231607.db2.gz OVRIZDPZYZYDQG-SMDDNHRTSA-N 2 2 290.367 0.837 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601335004 362231805 /nfs/dbraw/zinc/23/18/05/362231805.db2.gz QCWQOLMGLDVWDU-QWHCGFSZSA-N 2 2 296.415 0.686 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601335004 362231811 /nfs/dbraw/zinc/23/18/11/362231811.db2.gz QCWQOLMGLDVWDU-QWHCGFSZSA-N 2 2 296.415 0.686 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc[nH+]1 ZINC000151629056 136393899 /nfs/dbraw/zinc/39/38/99/136393899.db2.gz JXKIBPHTNVDETR-CYBMUJFWSA-N 2 2 289.383 0.528 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc[nH+]1 ZINC000151629056 136393900 /nfs/dbraw/zinc/39/39/00/136393900.db2.gz JXKIBPHTNVDETR-CYBMUJFWSA-N 2 2 289.383 0.528 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCC2CCC2)C1 ZINC000113514167 349815438 /nfs/dbraw/zinc/81/54/38/349815438.db2.gz BYZDYACZOGWUKR-CYBMUJFWSA-N 2 2 253.390 0.786 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC000113514167 349815444 /nfs/dbraw/zinc/81/54/44/349815444.db2.gz BYZDYACZOGWUKR-CYBMUJFWSA-N 2 2 253.390 0.786 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(F)c[nH]1 ZINC000617763095 365766248 /nfs/dbraw/zinc/76/62/48/365766248.db2.gz DZPMUMPMDPXCAK-UHFFFAOYSA-N 2 2 270.352 0.767 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(F)c[nH]1 ZINC000617763095 365766251 /nfs/dbraw/zinc/76/62/51/365766251.db2.gz DZPMUMPMDPXCAK-UHFFFAOYSA-N 2 2 270.352 0.767 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@](C)(O)C1CC1 ZINC000617763957 365766387 /nfs/dbraw/zinc/76/63/87/365766387.db2.gz CUNCUQBJXQJMJA-CQSZACIVSA-N 2 2 271.405 0.147 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@](C)(O)C1CC1 ZINC000617763957 365766394 /nfs/dbraw/zinc/76/63/94/365766394.db2.gz CUNCUQBJXQJMJA-CQSZACIVSA-N 2 2 271.405 0.147 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000617764235 365769439 /nfs/dbraw/zinc/76/94/39/365769439.db2.gz OIFUSPKLSMPMIH-UHFFFAOYSA-N 3 2 281.404 0.342 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000617764235 365769441 /nfs/dbraw/zinc/76/94/41/365769441.db2.gz OIFUSPKLSMPMIH-UHFFFAOYSA-N 3 2 281.404 0.342 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCc1ncc[nH]1 ZINC000617764235 365769447 /nfs/dbraw/zinc/76/94/47/365769447.db2.gz OIFUSPKLSMPMIH-UHFFFAOYSA-N 2 2 281.404 0.342 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCc1ncc[nH]1 ZINC000617764235 365769451 /nfs/dbraw/zinc/76/94/51/365769451.db2.gz OIFUSPKLSMPMIH-UHFFFAOYSA-N 2 2 281.404 0.342 20 0 CCADLP C[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1cncnc1 ZINC000617764984 365769629 /nfs/dbraw/zinc/76/96/29/365769629.db2.gz OXCOHEBSHMCFMT-ZDUSSCGKSA-N 2 2 293.415 0.580 20 0 CCADLP C[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1cncnc1 ZINC000617764984 365769633 /nfs/dbraw/zinc/76/96/33/365769633.db2.gz OXCOHEBSHMCFMT-ZDUSSCGKSA-N 2 2 293.415 0.580 20 0 CCADLP CC(=O)CCC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617768713 365773631 /nfs/dbraw/zinc/77/36/31/365773631.db2.gz REPXQZNVUHCJCC-UHFFFAOYSA-N 2 2 257.378 0.355 20 0 CCADLP CC(=O)CCC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617768713 365773634 /nfs/dbraw/zinc/77/36/34/365773634.db2.gz REPXQZNVUHCJCC-UHFFFAOYSA-N 2 2 257.378 0.355 20 0 CCADLP Cc1cnc(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)s1 ZINC000617765939 365771344 /nfs/dbraw/zinc/77/13/44/365771344.db2.gz WTGRQEGWXQEDGK-UHFFFAOYSA-N 2 2 298.456 0.994 20 0 CCADLP Cc1cnc(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)s1 ZINC000617765939 365771348 /nfs/dbraw/zinc/77/13/48/365771348.db2.gz WTGRQEGWXQEDGK-UHFFFAOYSA-N 2 2 298.456 0.994 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CC[C@H]1CCOC1 ZINC000617765669 365771697 /nfs/dbraw/zinc/77/16/97/365771697.db2.gz LKAFYKXKDAQSOZ-AWEZNQCLSA-N 2 2 285.432 0.803 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CC[C@H]1CCOC1 ZINC000617765669 365771701 /nfs/dbraw/zinc/77/17/01/365771701.db2.gz LKAFYKXKDAQSOZ-AWEZNQCLSA-N 2 2 285.432 0.803 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478068 349833125 /nfs/dbraw/zinc/83/31/25/349833125.db2.gz BMYMPYDTFSBNBV-QWHCGFSZSA-N 2 2 271.405 0.411 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478068 349833130 /nfs/dbraw/zinc/83/31/30/349833130.db2.gz BMYMPYDTFSBNBV-QWHCGFSZSA-N 2 2 271.405 0.411 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2CC[C@H](O)C2(C)C)n1C ZINC000425378433 529807946 /nfs/dbraw/zinc/80/79/46/529807946.db2.gz JMMMVYHDCUZEFG-NSHDSACASA-N 2 2 252.362 0.831 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2CC[C@H](O)C2(C)C)n1C ZINC000425378433 529807947 /nfs/dbraw/zinc/80/79/47/529807947.db2.gz JMMMVYHDCUZEFG-NSHDSACASA-N 2 2 252.362 0.831 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CC(=O)NCc2ccco2)n1C ZINC000425356725 529809530 /nfs/dbraw/zinc/80/95/30/529809530.db2.gz MKOXOQQVSOYSGY-UHFFFAOYSA-N 2 2 291.355 0.485 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@H](CO)CC(F)F)n1C ZINC000425338501 529810799 /nfs/dbraw/zinc/81/07/99/529810799.db2.gz PLUFFWVTPOAQHQ-QMMMGPOBSA-N 2 2 262.304 0.592 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CC(=O)NC1CC[NH+](CC)CC1 ZINC000115741331 349860458 /nfs/dbraw/zinc/86/04/58/349860458.db2.gz NWEVTNHZBJBBKB-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CC(=O)NC1CC[NH+](CC)CC1 ZINC000115741331 349860460 /nfs/dbraw/zinc/86/04/60/349860460.db2.gz NWEVTNHZBJBBKB-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)C1([NH3+])CCCCC1 ZINC000423745554 529910594 /nfs/dbraw/zinc/91/05/94/529910594.db2.gz PVDAGGFZCDUJNS-UHFFFAOYSA-N 2 2 269.389 0.439 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@H](n2cccn2)C1)C1CC1 ZINC000361591541 529942469 /nfs/dbraw/zinc/94/24/69/529942469.db2.gz OCDCMVRNZCBKKR-ZIAGYGMSSA-N 2 2 264.373 0.585 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@H](n2cccn2)C1)C1CC1 ZINC000361591541 529942470 /nfs/dbraw/zinc/94/24/70/529942470.db2.gz OCDCMVRNZCBKKR-ZIAGYGMSSA-N 2 2 264.373 0.585 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@H](n2cccn2)C1)C1CC1 ZINC000361591541 529942471 /nfs/dbraw/zinc/94/24/71/529942471.db2.gz OCDCMVRNZCBKKR-ZIAGYGMSSA-N 2 2 264.373 0.585 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@H](n2cccn2)C1)C1CC1 ZINC000361591541 529942473 /nfs/dbraw/zinc/94/24/73/529942473.db2.gz OCDCMVRNZCBKKR-ZIAGYGMSSA-N 2 2 264.373 0.585 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)n1C ZINC000425391644 282320724 /nfs/dbraw/zinc/32/07/24/282320724.db2.gz ZYPQKCCDGZVUQJ-JSGCOSHPSA-N 2 2 291.399 0.633 20 0 CCADLP C[NH2+]CCCN(C)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000424022755 529963822 /nfs/dbraw/zinc/96/38/22/529963822.db2.gz ULIKFJVWDMELAN-UHFFFAOYSA-N 2 2 260.341 0.945 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000418379924 529982246 /nfs/dbraw/zinc/98/22/46/529982246.db2.gz GZGWZFYZMUMQJA-CYBMUJFWSA-N 2 2 294.399 0.962 20 0 CCADLP CC(C)[NH2+]C1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000118961527 349911688 /nfs/dbraw/zinc/91/16/88/349911688.db2.gz LCWLOPRXWVGDKE-OAHLLOKOSA-N 2 2 285.432 0.142 20 0 CCADLP CC(C)[NH2+]C1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1 ZINC000118961527 349911694 /nfs/dbraw/zinc/91/16/94/349911694.db2.gz LCWLOPRXWVGDKE-OAHLLOKOSA-N 2 2 285.432 0.142 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000417926494 529984021 /nfs/dbraw/zinc/98/40/21/529984021.db2.gz ORZKWSIRRIGFOI-OLZOCXBDSA-N 2 2 291.399 0.815 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[C@H]3CC[N@H+](C)C[C@H]32)nc[nH+]1 ZINC000294594516 232000693 /nfs/dbraw/zinc/00/06/93/232000693.db2.gz ZMEYRWBBWABGEM-YNEHKIRRSA-N 2 2 291.399 0.800 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[C@H]3CC[N@@H+](C)C[C@H]32)nc[nH+]1 ZINC000294594516 232000695 /nfs/dbraw/zinc/00/06/95/232000695.db2.gz ZMEYRWBBWABGEM-YNEHKIRRSA-N 2 2 291.399 0.800 20 0 CCADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000602018952 362459099 /nfs/dbraw/zinc/45/90/99/362459099.db2.gz COZAZNOGUXJZHD-BJDJZHNGSA-N 2 2 285.388 0.173 20 0 CCADLP C[NH+](C)CC(C)(C)[NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000308639087 232014029 /nfs/dbraw/zinc/01/40/29/232014029.db2.gz YUIKZFDPLWGNSF-GFCCVEGCSA-N 2 2 291.461 0.588 20 0 CCADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000423185928 530036230 /nfs/dbraw/zinc/03/62/30/530036230.db2.gz JOIXVPIASBESRT-DGCLKSJQSA-N 2 2 297.424 0.997 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]1CC(=O)NCCCn1cc[nH+]c1 ZINC000340110975 232032797 /nfs/dbraw/zinc/03/27/97/232032797.db2.gz BGXQWKWTYVUHAU-VXGBXAGGSA-N 2 2 250.346 0.907 20 0 CCADLP C[C@@H](C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C1C[NH2+]C1 ZINC000262029758 295729148 /nfs/dbraw/zinc/72/91/48/295729148.db2.gz BIVCDRSQERJFAS-TZMCWYRMSA-N 2 2 281.400 0.165 20 0 CCADLP C[C@@H](CNC(=O)[C@H](C)[NH+](C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244045 412519295 /nfs/dbraw/zinc/51/92/95/412519295.db2.gz LXBVNHZQSKXCLG-RVMXOQNASA-N 2 2 271.405 0.550 20 0 CCADLP C[C@@H](CNC(=O)[C@H](C)[NH+](C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244045 412519297 /nfs/dbraw/zinc/51/92/97/412519297.db2.gz LXBVNHZQSKXCLG-RVMXOQNASA-N 2 2 271.405 0.550 20 0 CCADLP O=C1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CN1 ZINC000361480860 232138720 /nfs/dbraw/zinc/13/87/20/232138720.db2.gz HCRCCGXWJRDBNF-CQSZACIVSA-N 2 2 288.395 0.914 20 0 CCADLP CC[C@H](C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)[NH+](C)C ZINC000163957443 290746327 /nfs/dbraw/zinc/74/63/27/290746327.db2.gz XYGRCCDWMZFTSX-JHJVBQTASA-N 2 2 271.405 0.552 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244522 412521235 /nfs/dbraw/zinc/52/12/35/412521235.db2.gz QHIZNQWWZTYRIM-YIYPIFLZSA-N 2 2 283.416 0.695 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244522 412521240 /nfs/dbraw/zinc/52/12/40/412521240.db2.gz QHIZNQWWZTYRIM-YIYPIFLZSA-N 2 2 283.416 0.695 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244522 412521242 /nfs/dbraw/zinc/52/12/42/412521242.db2.gz QHIZNQWWZTYRIM-YIYPIFLZSA-N 2 2 283.416 0.695 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244522 412521246 /nfs/dbraw/zinc/52/12/46/412521246.db2.gz QHIZNQWWZTYRIM-YIYPIFLZSA-N 2 2 283.416 0.695 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCOC[C@H]2C2CC2)C1 ZINC000367346308 232312348 /nfs/dbraw/zinc/31/23/48/232312348.db2.gz JBYFXJOFPRZMMB-HIFRSBDPSA-N 2 2 295.427 0.507 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCOC[C@H]2C2CC2)C1 ZINC000367346308 232312360 /nfs/dbraw/zinc/31/23/60/232312360.db2.gz JBYFXJOFPRZMMB-HIFRSBDPSA-N 2 2 295.427 0.507 20 0 CCADLP C[C@H](C[S@@](C)=O)[N@H+](C)C1CC[NH+](CC(C)(C)O)CC1 ZINC000602616512 362715263 /nfs/dbraw/zinc/71/52/63/362715263.db2.gz VISNZDSEEPPRCA-CWTRNNRKSA-N 2 2 290.473 0.921 20 0 CCADLP C[C@H](C[S@@](C)=O)[N@@H+](C)C1CC[NH+](CC(C)(C)O)CC1 ZINC000602616512 362715266 /nfs/dbraw/zinc/71/52/66/362715266.db2.gz VISNZDSEEPPRCA-CWTRNNRKSA-N 2 2 290.473 0.921 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C2CN(c3ccncn3)C2)CC[N@@H+]1C ZINC000631746801 370655418 /nfs/dbraw/zinc/65/54/18/370655418.db2.gz SAERBXYWIXIOCP-VXGBXAGGSA-N 2 2 261.373 0.738 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C2CN(c3ccncn3)C2)CC[N@H+]1C ZINC000631746801 370655422 /nfs/dbraw/zinc/65/54/22/370655422.db2.gz SAERBXYWIXIOCP-VXGBXAGGSA-N 2 2 261.373 0.738 20 0 CCADLP CCN(C#N)CC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000602825398 362821926 /nfs/dbraw/zinc/82/19/26/362821926.db2.gz KUEHBOJXCRIVNJ-HNNXBMFYSA-N 2 2 280.416 0.976 20 0 CCADLP CCN(C#N)CC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000602825398 362821927 /nfs/dbraw/zinc/82/19/27/362821927.db2.gz KUEHBOJXCRIVNJ-HNNXBMFYSA-N 2 2 280.416 0.976 20 0 CCADLP CCNC(=O)[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000339331176 215098701 /nfs/dbraw/zinc/09/87/01/215098701.db2.gz SVCLYESJVDNMMK-STQMWFEESA-N 2 2 271.405 0.192 20 0 CCADLP CCNC(=O)[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000339331176 215098704 /nfs/dbraw/zinc/09/87/04/215098704.db2.gz SVCLYESJVDNMMK-STQMWFEESA-N 2 2 271.405 0.192 20 0 CCADLP O=C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)N1CCCCC1 ZINC000261594556 137011447 /nfs/dbraw/zinc/01/14/47/137011447.db2.gz ZWHYCXQSWCNZOD-CQSZACIVSA-N 2 2 251.374 0.684 20 0 CCADLP O=C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)N1CCCCC1 ZINC000261594556 137011448 /nfs/dbraw/zinc/01/14/48/137011448.db2.gz ZWHYCXQSWCNZOD-CQSZACIVSA-N 2 2 251.374 0.684 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261610373 137012212 /nfs/dbraw/zinc/01/22/12/137012212.db2.gz BEMCLPYJPIRNQV-MBNYWOFBSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261610373 137012213 /nfs/dbraw/zinc/01/22/13/137012213.db2.gz BEMCLPYJPIRNQV-MBNYWOFBSA-N 2 2 269.389 0.341 20 0 CCADLP NC(=O)c1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261660940 137014466 /nfs/dbraw/zinc/01/44/66/137014466.db2.gz ZFISWXSJYNOPER-KBPBESRZSA-N 2 2 259.353 0.969 20 0 CCADLP NC(=O)c1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261660940 137014467 /nfs/dbraw/zinc/01/44/67/137014467.db2.gz ZFISWXSJYNOPER-KBPBESRZSA-N 2 2 259.353 0.969 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC[NH2+]1 ZINC000262387335 137041560 /nfs/dbraw/zinc/04/15/60/137041560.db2.gz PAVPNNHCVJYLKT-KBPBESRZSA-N 3 2 296.459 0.517 20 0 CCADLP C[NH+](C)CC1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263174494 137059809 /nfs/dbraw/zinc/05/98/09/137059809.db2.gz GAZDIYADPUBFRW-LLVKDONJSA-N 2 2 275.343 0.784 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000261682692 137015642 /nfs/dbraw/zinc/01/56/42/137015642.db2.gz HAGMPQJVFOEPPZ-INIZCTEOSA-N 3 2 296.459 0.646 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000261682692 137015643 /nfs/dbraw/zinc/01/56/43/137015643.db2.gz HAGMPQJVFOEPPZ-INIZCTEOSA-N 3 2 296.459 0.646 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000261698795 137016127 /nfs/dbraw/zinc/01/61/27/137016127.db2.gz HXUIYFMLZHIODB-HNNXBMFYSA-N 3 2 282.432 0.258 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000261698795 137016128 /nfs/dbraw/zinc/01/61/28/137016128.db2.gz HXUIYFMLZHIODB-HNNXBMFYSA-N 3 2 282.432 0.258 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000261728626 137017127 /nfs/dbraw/zinc/01/71/27/137017127.db2.gz OCCBCOVQDIRKFZ-LLVKDONJSA-N 2 2 250.346 0.907 20 0 CCADLP [NH3+]CC[N@@H+](CCc1ccccc1)CCn1cncn1 ZINC000261762514 137018629 /nfs/dbraw/zinc/01/86/29/137018629.db2.gz NEFRFTLWQJVPQP-UHFFFAOYSA-N 2 2 259.357 0.782 20 0 CCADLP [NH3+]CC[N@H+](CCc1ccccc1)CCn1cncn1 ZINC000261762514 137018630 /nfs/dbraw/zinc/01/86/30/137018630.db2.gz NEFRFTLWQJVPQP-UHFFFAOYSA-N 2 2 259.357 0.782 20 0 CCADLP O=C(C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)NC1CCCCC1 ZINC000261764953 137018831 /nfs/dbraw/zinc/01/88/31/137018831.db2.gz VHCXWXYHQSGFKF-HNNXBMFYSA-N 2 2 294.443 0.415 20 0 CCADLP C[C@@H]([NH3+])CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000261778586 137019714 /nfs/dbraw/zinc/01/97/14/137019714.db2.gz JIASZDLDQVAOHC-NEPJUHHUSA-N 2 2 255.362 0.047 20 0 CCADLP Cn1cc[nH+]c1CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261806793 137021172 /nfs/dbraw/zinc/02/11/72/137021172.db2.gz WJHUPOIYNUORDH-CYBMUJFWSA-N 2 2 257.341 0.962 20 0 CCADLP CCC(C)(C)NC(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261873656 137023730 /nfs/dbraw/zinc/02/37/30/137023730.db2.gz ZLIHNHHJWFPEGX-ZDUSSCGKSA-N 2 2 282.432 0.271 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)C2([NH3+])CCOCC2)CC1 ZINC000261898959 137024881 /nfs/dbraw/zinc/02/48/81/137024881.db2.gz RLKFKBARVHYQJX-UHFFFAOYSA-N 2 2 299.415 0.064 20 0 CCADLP Cn1ccnc1C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000261936306 137026375 /nfs/dbraw/zinc/02/63/75/137026375.db2.gz DFTPVTXSSMNSSJ-LBPRGKRZSA-N 2 2 279.388 0.240 20 0 CCADLP Cn1ccnc1C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000261936306 137026376 /nfs/dbraw/zinc/02/63/76/137026376.db2.gz DFTPVTXSSMNSSJ-LBPRGKRZSA-N 2 2 279.388 0.240 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000311972252 137076299 /nfs/dbraw/zinc/07/62/99/137076299.db2.gz KARVJCDSVFCCHY-JSGCOSHPSA-N 2 2 269.389 0.213 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000311972252 137076300 /nfs/dbraw/zinc/07/63/00/137076300.db2.gz KARVJCDSVFCCHY-JSGCOSHPSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@@H](NC(=O)NC[C@H]1C[N@H+](C)CCO1)C1=CC[NH+](C)CC1 ZINC000332870215 137081780 /nfs/dbraw/zinc/08/17/80/137081780.db2.gz GHVNEZLJKKZOEQ-OCCSQVGLSA-N 2 2 296.415 0.267 20 0 CCADLP C[C@@H](NC(=O)NC[C@H]1C[N@@H+](C)CCO1)C1=CC[NH+](C)CC1 ZINC000332870215 137081781 /nfs/dbraw/zinc/08/17/81/137081781.db2.gz GHVNEZLJKKZOEQ-OCCSQVGLSA-N 2 2 296.415 0.267 20 0 CCADLP C[C@@H](NC(=O)NC[C@H]1C[NH+](C)CCO1)C1=CC[N@H+](C)CC1 ZINC000332870215 137081782 /nfs/dbraw/zinc/08/17/82/137081782.db2.gz GHVNEZLJKKZOEQ-OCCSQVGLSA-N 2 2 296.415 0.267 20 0 CCADLP C[C@@H](NC(=O)NC[C@H]1C[NH+](C)CCO1)C1=CC[N@@H+](C)CC1 ZINC000332870215 137081783 /nfs/dbraw/zinc/08/17/83/137081783.db2.gz GHVNEZLJKKZOEQ-OCCSQVGLSA-N 2 2 296.415 0.267 20 0 CCADLP C[C@@H]1COCC[NH+]1C/C=C/C[N@H+]1CCOC[C@H]1C ZINC000340156153 137084437 /nfs/dbraw/zinc/08/44/37/137084437.db2.gz AKZUFKAVQSKPFH-LSMGEYOZSA-N 2 2 254.374 0.984 20 0 CCADLP C[C@@H]1COCC[NH+]1C/C=C/C[N@@H+]1CCOC[C@H]1C ZINC000340156153 137084438 /nfs/dbraw/zinc/08/44/38/137084438.db2.gz AKZUFKAVQSKPFH-LSMGEYOZSA-N 2 2 254.374 0.984 20 0 CCADLP Cc1cccc(OCCNC(=O)C[NH2+]CC2([NH3+])CCC2)c1 ZINC000342138697 137087342 /nfs/dbraw/zinc/08/73/42/137087342.db2.gz NPLARRZMWVWVSD-UHFFFAOYSA-N 2 2 291.395 0.961 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CCC[NH+](C)[C@@H]1C ZINC000343880183 137163978 /nfs/dbraw/zinc/16/39/78/137163978.db2.gz XZJGUMXVDMAQFZ-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CCC[NH+](C)[C@@H]1C ZINC000343880183 137163979 /nfs/dbraw/zinc/16/39/79/137163979.db2.gz XZJGUMXVDMAQFZ-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000343880183 137163980 /nfs/dbraw/zinc/16/39/80/137163980.db2.gz XZJGUMXVDMAQFZ-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000343880183 137163981 /nfs/dbraw/zinc/16/39/81/137163981.db2.gz XZJGUMXVDMAQFZ-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000684424123 545667428 /nfs/dbraw/zinc/66/74/28/545667428.db2.gz ZEHORDJRULBQMF-UHFFFAOYSA-N 2 2 290.371 0.750 20 0 CCADLP C[C@@H]1C[N@H+](Cc2cncn2C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343942743 137168709 /nfs/dbraw/zinc/16/87/09/137168709.db2.gz UJJOZJGPBVSXTC-GDBMZVCRSA-N 2 2 291.443 0.878 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2cncn2C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343942743 137168710 /nfs/dbraw/zinc/16/87/10/137168710.db2.gz UJJOZJGPBVSXTC-GDBMZVCRSA-N 2 2 291.443 0.878 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000344131760 137179290 /nfs/dbraw/zinc/17/92/90/137179290.db2.gz RCHCNGCBGUSQFT-ZDUSSCGKSA-N 2 2 294.399 0.734 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000344131760 137179291 /nfs/dbraw/zinc/17/92/91/137179291.db2.gz RCHCNGCBGUSQFT-ZDUSSCGKSA-N 2 2 294.399 0.734 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000344131760 137179292 /nfs/dbraw/zinc/17/92/92/137179292.db2.gz RCHCNGCBGUSQFT-ZDUSSCGKSA-N 2 2 294.399 0.734 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000344131760 137179293 /nfs/dbraw/zinc/17/92/93/137179293.db2.gz RCHCNGCBGUSQFT-ZDUSSCGKSA-N 2 2 294.399 0.734 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000343362384 137131015 /nfs/dbraw/zinc/13/10/15/137131015.db2.gz SWQZPUGMTAXIQY-GFCCVEGCSA-N 2 2 278.356 0.240 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000343362384 137131016 /nfs/dbraw/zinc/13/10/16/137131016.db2.gz SWQZPUGMTAXIQY-GFCCVEGCSA-N 2 2 278.356 0.240 20 0 CCADLP C[C@@H](C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000344267944 137186641 /nfs/dbraw/zinc/18/66/41/137186641.db2.gz YLKDEEXVFYKTMR-HZSPNIEDSA-N 3 2 254.422 0.162 20 0 CCADLP C[C@@H](C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000344267944 137186642 /nfs/dbraw/zinc/18/66/42/137186642.db2.gz YLKDEEXVFYKTMR-HZSPNIEDSA-N 3 2 254.422 0.162 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]Cc2cnc(C)[nH]c2=O)[C@@H](C)C1 ZINC000344329687 137189012 /nfs/dbraw/zinc/18/90/12/137189012.db2.gz NGHWXOOSRPKACT-CABZTGNLSA-N 2 2 250.346 0.920 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]Cc2cnc(C)[nH]c2=O)[C@@H](C)C1 ZINC000344329687 137189013 /nfs/dbraw/zinc/18/90/13/137189013.db2.gz NGHWXOOSRPKACT-CABZTGNLSA-N 2 2 250.346 0.920 20 0 CCADLP Cc1nc(NCC[NH+](C)C)cc(NCC[NH+](C)C)[nH+]1 ZINC000253447718 352535906 /nfs/dbraw/zinc/53/59/06/352535906.db2.gz HXVVGLSQWAIJAX-UHFFFAOYSA-N 3 2 266.393 0.732 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000684432349 545668904 /nfs/dbraw/zinc/66/89/04/545668904.db2.gz ACTGYDUVZHRLPI-NSHDSACASA-N 2 2 250.346 0.563 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000684432349 545668906 /nfs/dbraw/zinc/66/89/06/545668906.db2.gz ACTGYDUVZHRLPI-NSHDSACASA-N 2 2 250.346 0.563 20 0 CCADLP CC[C@@H]([NH3+])C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000037008463 348177879 /nfs/dbraw/zinc/17/78/79/348177879.db2.gz KREXXRZLKFDROE-GFCCVEGCSA-N 2 2 262.357 0.904 20 0 CCADLP CC[C@]1(C(=O)NCCCn2cc[nH+]c2)CCC[NH2+]1 ZINC000128751357 187387831 /nfs/dbraw/zinc/38/78/31/187387831.db2.gz ZXHXUYMITUTBGA-CYBMUJFWSA-N 2 2 250.346 0.922 20 0 CCADLP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NC(=O)NC1CC1 ZINC000037917901 348219072 /nfs/dbraw/zinc/21/90/72/348219072.db2.gz CYKZRLDXYFIILI-AAEUAGOBSA-N 2 2 294.399 0.439 20 0 CCADLP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NC(=O)NC1CC1 ZINC000037917901 348219073 /nfs/dbraw/zinc/21/90/73/348219073.db2.gz CYKZRLDXYFIILI-AAEUAGOBSA-N 2 2 294.399 0.439 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000040599802 348238579 /nfs/dbraw/zinc/23/85/79/348238579.db2.gz YJIRWHMPCGDDME-LBPRGKRZSA-N 2 2 296.415 0.686 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000040599802 348238584 /nfs/dbraw/zinc/23/85/84/348238584.db2.gz YJIRWHMPCGDDME-LBPRGKRZSA-N 2 2 296.415 0.686 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NCCCOC)C1 ZINC000040601488 348238876 /nfs/dbraw/zinc/23/88/76/348238876.db2.gz OJGJGBIGSNWBLR-QWHCGFSZSA-N 2 2 271.405 0.459 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)C(=O)NCCCOC)C1 ZINC000040601488 348238878 /nfs/dbraw/zinc/23/88/78/348238878.db2.gz OJGJGBIGSNWBLR-QWHCGFSZSA-N 2 2 271.405 0.459 20 0 CCADLP Cn1cc[nH+]c1[C@H](NC(=O)CC[NH3+])c1ccccc1 ZINC000040855850 348245321 /nfs/dbraw/zinc/24/53/21/348245321.db2.gz NJXFHBUIJXRRLE-CYBMUJFWSA-N 2 2 258.325 0.975 20 0 CCADLP CC(C)[C@H](C[NH2+]Cc1csnn1)N1CC[NH+](C)CC1 ZINC000040445392 348235000 /nfs/dbraw/zinc/23/50/00/348235000.db2.gz UJPNXHJASGROKX-ZDUSSCGKSA-N 2 2 283.445 0.900 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]([NH3+])CC(F)F)CCO1 ZINC000345705293 137246879 /nfs/dbraw/zinc/24/68/79/137246879.db2.gz GBAKGBSLMIGGDX-VIFPVBQESA-N 2 2 279.331 0.196 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]([NH3+])CC(F)F)CCO1 ZINC000345705293 137246880 /nfs/dbraw/zinc/24/68/80/137246880.db2.gz GBAKGBSLMIGGDX-VIFPVBQESA-N 2 2 279.331 0.196 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@@H]([NH3+])CC(F)F)CC1 ZINC000345803137 137253716 /nfs/dbraw/zinc/25/37/16/137253716.db2.gz NBJAEDMSOMTSHV-JTQLQIEISA-N 2 2 279.331 0.150 20 0 CCADLP C[C@@H]1C[N@H+](CCCn2cc[nH+]c2)CCN1S(C)(=O)=O ZINC000345806336 137254022 /nfs/dbraw/zinc/25/40/22/137254022.db2.gz NCKPQUZCACQGNQ-GFCCVEGCSA-N 2 2 286.401 0.239 20 0 CCADLP C[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)CCN1S(C)(=O)=O ZINC000345806336 137254023 /nfs/dbraw/zinc/25/40/23/137254023.db2.gz NCKPQUZCACQGNQ-GFCCVEGCSA-N 2 2 286.401 0.239 20 0 CCADLP COCCN(CC[NH+](C)C)C(=O)CCc1[nH]cc[nH+]1 ZINC000346348038 137280601 /nfs/dbraw/zinc/28/06/01/137280601.db2.gz BWASOMOOZBTBRD-UHFFFAOYSA-N 2 2 268.361 0.379 20 0 CCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(CC(C)(C)[NH3+])CC1 ZINC000346978973 137314158 /nfs/dbraw/zinc/31/41/58/137314158.db2.gz LLPPCRRARILIEE-CYBMUJFWSA-N 2 2 282.432 0.352 20 0 CCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(CC(C)(C)[NH3+])CC1 ZINC000346851297 137308567 /nfs/dbraw/zinc/30/85/67/137308567.db2.gz VRXJKZUFVZPFOO-LLVKDONJSA-N 2 2 268.405 0.008 20 0 CCADLP COC(=O)[C@@](C)(O)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000602949087 362904890 /nfs/dbraw/zinc/90/48/90/362904890.db2.gz DXHLPNHTFPCOFC-HNNXBMFYSA-N 2 2 284.400 0.861 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000339469925 215192653 /nfs/dbraw/zinc/19/26/53/215192653.db2.gz HPAFGAWSDOIEBN-QWHCGFSZSA-N 2 2 292.383 0.457 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000339469925 215192658 /nfs/dbraw/zinc/19/26/58/215192658.db2.gz HPAFGAWSDOIEBN-QWHCGFSZSA-N 2 2 292.383 0.457 20 0 CCADLP C[C@@H](Cn1cccn1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000347357538 137332885 /nfs/dbraw/zinc/33/28/85/137332885.db2.gz MKDZPGDMYYCPJI-STQMWFEESA-N 2 2 279.388 0.201 20 0 CCADLP C[C@@H](Cn1cccn1)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000347357538 137332886 /nfs/dbraw/zinc/33/28/86/137332886.db2.gz MKDZPGDMYYCPJI-STQMWFEESA-N 2 2 279.388 0.201 20 0 CCADLP OC[C@H](O)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000347534684 137341758 /nfs/dbraw/zinc/34/17/58/137341758.db2.gz YMISCQFUDHRYCM-SNVBAGLBSA-N 2 2 253.327 0.377 20 0 CCADLP CCC[N@H+](CC(=O)NC)CC(=O)NC1CC[NH+](CC)CC1 ZINC000056508800 348591962 /nfs/dbraw/zinc/59/19/62/348591962.db2.gz CPTKEFSMSPKYAM-UHFFFAOYSA-N 2 2 298.431 0.045 20 0 CCADLP CCC[N@@H+](CC(=O)NC)CC(=O)NC1CC[NH+](CC)CC1 ZINC000056508800 348591963 /nfs/dbraw/zinc/59/19/63/348591963.db2.gz CPTKEFSMSPKYAM-UHFFFAOYSA-N 2 2 298.431 0.045 20 0 CCADLP C[C@@H]1C[N@H+](Cc2nc(C(C)(C)[NH3+])no2)CCCO1 ZINC000061918617 348661520 /nfs/dbraw/zinc/66/15/20/348661520.db2.gz HGHBXQUEJAZMMV-SECBINFHSA-N 2 2 254.334 0.874 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)CCCO1 ZINC000061918617 348661522 /nfs/dbraw/zinc/66/15/22/348661522.db2.gz HGHBXQUEJAZMMV-SECBINFHSA-N 2 2 254.334 0.874 20 0 CCADLP O=C(Nc1ccc(-n2cc[nH+]c2)nc1)[C@H]1CC[NH2+]C1 ZINC000062113714 348664342 /nfs/dbraw/zinc/66/43/42/348664342.db2.gz SXZRASYOZONCJK-JTQLQIEISA-N 2 2 257.297 0.815 20 0 CCADLP CC[C@@]1(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[NH2+]C1 ZINC000062899307 348671927 /nfs/dbraw/zinc/67/19/27/348671927.db2.gz WPDQGXUGHJDJOE-OAHLLOKOSA-N 2 2 283.416 0.603 20 0 CCADLP C[NH2+]CCC1CC[NH+](Cc2nc(N)nc(N(C)C)n2)CC1 ZINC000070190002 348877475 /nfs/dbraw/zinc/87/74/75/348877475.db2.gz UDVOVPDLSAJRKD-UHFFFAOYSA-N 2 2 293.419 0.341 20 0 CCADLP C[C@@H]([NH3+])CCC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000070316357 348884693 /nfs/dbraw/zinc/88/46/93/348884693.db2.gz YLMMVBDZNSUCIL-CYBMUJFWSA-N 2 2 276.384 0.853 20 0 CCADLP [NH3+][C@H](CCC(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000071400139 348908937 /nfs/dbraw/zinc/90/89/37/348908937.db2.gz RUUKQNUKMIHILG-OAHLLOKOSA-N 2 2 291.395 0.915 20 0 CCADLP CC(C)OC(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000075768335 349050702 /nfs/dbraw/zinc/05/07/02/349050702.db2.gz GMLHADFMFUXKLL-CQSZACIVSA-N 2 2 284.400 0.982 20 0 CCADLP CC(C)OC(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000075768335 349050706 /nfs/dbraw/zinc/05/07/06/349050706.db2.gz GMLHADFMFUXKLL-CQSZACIVSA-N 2 2 284.400 0.982 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@H]1C ZINC000339563982 215245445 /nfs/dbraw/zinc/24/54/45/215245445.db2.gz OCSTWRFFHDSROE-STQMWFEESA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@H]1C ZINC000339563982 215245448 /nfs/dbraw/zinc/24/54/48/215245448.db2.gz OCSTWRFFHDSROE-STQMWFEESA-N 2 2 283.416 0.554 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000077249017 349104258 /nfs/dbraw/zinc/10/42/58/349104258.db2.gz ARKHNEVNNDITAJ-UHFFFAOYSA-N 2 2 299.415 0.424 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000077249017 349104261 /nfs/dbraw/zinc/10/42/61/349104261.db2.gz ARKHNEVNNDITAJ-UHFFFAOYSA-N 2 2 299.415 0.424 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000076001470 349062019 /nfs/dbraw/zinc/06/20/19/349062019.db2.gz WWXGPILPKLVTIS-QWHCGFSZSA-N 2 2 253.390 0.881 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000076001470 349062026 /nfs/dbraw/zinc/06/20/26/349062026.db2.gz WWXGPILPKLVTIS-QWHCGFSZSA-N 2 2 253.390 0.881 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000077809623 349121624 /nfs/dbraw/zinc/12/16/24/349121624.db2.gz INJWQGDFCWRKTE-UHFFFAOYSA-N 3 2 296.419 0.055 20 0 CCADLP CC(C)(CNC(=O)[C@]1(C)CCC[NH2+]1)[NH+]1CCOCC1 ZINC000079519469 349182525 /nfs/dbraw/zinc/18/25/25/349182525.db2.gz NBTGSRJHWXKWON-AWEZNQCLSA-N 2 2 269.389 0.356 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)CC1 ZINC000339616386 215271283 /nfs/dbraw/zinc/27/12/83/215271283.db2.gz YQLQZOLUFJRPBC-ZNMIVQPWSA-N 2 2 296.459 0.563 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)CC1 ZINC000339616386 215271285 /nfs/dbraw/zinc/27/12/85/215271285.db2.gz YQLQZOLUFJRPBC-ZNMIVQPWSA-N 2 2 296.459 0.563 20 0 CCADLP CN(C[C@H](O)C[NH+]1CCOCC1)c1cc[nH+]cc1Cl ZINC000081015183 349240145 /nfs/dbraw/zinc/24/01/45/349240145.db2.gz FUAUDMFYNFUPRR-NSHDSACASA-N 2 2 285.775 0.864 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC(=O)NC2CC2)[C@H](C)C1 ZINC000081095828 349246035 /nfs/dbraw/zinc/24/60/35/349246035.db2.gz QYOUQYAFZYQSQL-YPMHNXCESA-N 2 2 296.415 0.637 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC(=O)NC2CC2)[C@H](C)C1 ZINC000081095828 349246037 /nfs/dbraw/zinc/24/60/37/349246037.db2.gz QYOUQYAFZYQSQL-YPMHNXCESA-N 2 2 296.415 0.637 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC(=O)NC2CC2)[C@H](C)C1 ZINC000081095828 349246039 /nfs/dbraw/zinc/24/60/39/349246039.db2.gz QYOUQYAFZYQSQL-YPMHNXCESA-N 2 2 296.415 0.637 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC(=O)NC2CC2)[C@H](C)C1 ZINC000081095828 349246041 /nfs/dbraw/zinc/24/60/41/349246041.db2.gz QYOUQYAFZYQSQL-YPMHNXCESA-N 2 2 296.415 0.637 20 0 CCADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NC2CC2)C1 ZINC000081571185 349275577 /nfs/dbraw/zinc/27/55/77/349275577.db2.gz VEOZPQBWRRZJQI-GFCCVEGCSA-N 2 2 253.390 0.929 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NC2CC2)C1 ZINC000081571185 349275580 /nfs/dbraw/zinc/27/55/80/349275580.db2.gz VEOZPQBWRRZJQI-GFCCVEGCSA-N 2 2 253.390 0.929 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC000081571185 349275581 /nfs/dbraw/zinc/27/55/81/349275581.db2.gz VEOZPQBWRRZJQI-GFCCVEGCSA-N 2 2 253.390 0.929 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC000081571185 349275585 /nfs/dbraw/zinc/27/55/85/349275585.db2.gz VEOZPQBWRRZJQI-GFCCVEGCSA-N 2 2 253.390 0.929 20 0 CCADLP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000087410018 349349791 /nfs/dbraw/zinc/34/97/91/349349791.db2.gz KXALRBUFDJCDEN-YPMHNXCESA-N 2 2 265.405 0.625 20 0 CCADLP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000087410018 349349796 /nfs/dbraw/zinc/34/97/96/349349796.db2.gz KXALRBUFDJCDEN-YPMHNXCESA-N 2 2 265.405 0.625 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CCN1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000124739373 350106600 /nfs/dbraw/zinc/10/66/00/350106600.db2.gz UBTZTJRJZLTGQM-OAHLLOKOSA-N 2 2 294.443 0.367 20 0 CCADLP C[N@H+]1CCC[C@@H]1CCN1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000124739373 350106604 /nfs/dbraw/zinc/10/66/04/350106604.db2.gz UBTZTJRJZLTGQM-OAHLLOKOSA-N 2 2 294.443 0.367 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2COc3ccccc32)[C@@H](C[NH3+])C1 ZINC000124291032 350094338 /nfs/dbraw/zinc/09/43/38/350094338.db2.gz DJFDXWKYCVAVRC-WCQYABFASA-N 2 2 275.352 0.264 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2COc3ccccc32)[C@@H](C[NH3+])C1 ZINC000124291032 350094343 /nfs/dbraw/zinc/09/43/43/350094343.db2.gz DJFDXWKYCVAVRC-WCQYABFASA-N 2 2 275.352 0.264 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000126423793 350146403 /nfs/dbraw/zinc/14/64/03/350146403.db2.gz IGZFGUNOLJNUKR-CYBMUJFWSA-N 2 2 284.448 0.421 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000126423793 350146404 /nfs/dbraw/zinc/14/64/04/350146404.db2.gz IGZFGUNOLJNUKR-CYBMUJFWSA-N 2 2 284.448 0.421 20 0 CCADLP C[C@H](C(=O)N(C)C)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000126423793 350146408 /nfs/dbraw/zinc/14/64/08/350146408.db2.gz IGZFGUNOLJNUKR-CYBMUJFWSA-N 2 2 284.448 0.421 20 0 CCADLP CCOC(=O)CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000126494593 350147077 /nfs/dbraw/zinc/14/70/77/350147077.db2.gz KRNZEZKMIRXSTN-UHFFFAOYSA-N 2 2 271.405 0.507 20 0 CCADLP CCOC(=O)CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000126494593 350147080 /nfs/dbraw/zinc/14/70/80/350147080.db2.gz KRNZEZKMIRXSTN-UHFFFAOYSA-N 2 2 271.405 0.507 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCCN2CC[NH+](C)CC2)C[N@@H+]1C1CC1 ZINC000128631787 350195908 /nfs/dbraw/zinc/19/59/08/350195908.db2.gz GENYYFSBRXHWIC-CABCVRRESA-N 3 2 280.460 0.839 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCCN2CC[NH+](C)CC2)C[N@H+]1C1CC1 ZINC000128631787 350195909 /nfs/dbraw/zinc/19/59/09/350195909.db2.gz GENYYFSBRXHWIC-CABCVRRESA-N 3 2 280.460 0.839 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc(N)nc(N)n1 ZINC000130728327 350246640 /nfs/dbraw/zinc/24/66/40/350246640.db2.gz AEXFUFKPWGICON-UHFFFAOYSA-N 2 2 276.348 0.063 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc(N)nc(N)n1 ZINC000130728327 350246643 /nfs/dbraw/zinc/24/66/43/350246643.db2.gz AEXFUFKPWGICON-UHFFFAOYSA-N 2 2 276.348 0.063 20 0 CCADLP CNS(=O)(=O)CCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131798391 350287759 /nfs/dbraw/zinc/28/77/59/350287759.db2.gz FRWRBDUGPWWSCB-CYBMUJFWSA-N 2 2 299.396 0.474 20 0 CCADLP CNS(=O)(=O)CCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131798391 350287761 /nfs/dbraw/zinc/28/77/61/350287761.db2.gz FRWRBDUGPWWSCB-CYBMUJFWSA-N 2 2 299.396 0.474 20 0 CCADLP CCO[C@H]1C[C@]([NH3+])(C(=O)NCCCn2cc[nH+]c2)C1(C)C ZINC000133894957 350348102 /nfs/dbraw/zinc/34/81/02/350348102.db2.gz LXBJFKKHKJBZHN-WFASDCNBSA-N 2 2 294.399 0.922 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](CO)Cc1ccccc1 ZINC000133995192 350350627 /nfs/dbraw/zinc/35/06/27/350350627.db2.gz LEHVCJMZQGCFQJ-KBMXLJTQSA-N 2 2 278.396 0.947 20 0 CCADLP C[C@H]([C@H](C)NC(=O)C[NH+]1CCC(C)CC1)[NH+]1CCOCC1 ZINC000136662542 350425773 /nfs/dbraw/zinc/42/57/73/350425773.db2.gz BXSYYMJAIPOZNU-LSDHHAIUSA-N 2 2 297.443 0.944 20 0 CCADLP C[N@@H+]1CCC[C@H]1CNC(=O)NCCNc1cccc[nH+]1 ZINC000139399036 350446913 /nfs/dbraw/zinc/44/69/13/350446913.db2.gz ZJIVOBYXNFPSGW-LBPRGKRZSA-N 2 2 277.372 0.887 20 0 CCADLP C[N@H+]1CCC[C@H]1CNC(=O)NCCNc1cccc[nH+]1 ZINC000139399036 350446917 /nfs/dbraw/zinc/44/69/17/350446917.db2.gz ZJIVOBYXNFPSGW-LBPRGKRZSA-N 2 2 277.372 0.887 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000140016524 350449944 /nfs/dbraw/zinc/44/99/44/350449944.db2.gz ABNOEDGPPFFUFH-YNEHKIRRSA-N 2 2 297.399 0.080 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000140016524 350449946 /nfs/dbraw/zinc/44/99/46/350449946.db2.gz ABNOEDGPPFFUFH-YNEHKIRRSA-N 2 2 297.399 0.080 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000140016524 350449948 /nfs/dbraw/zinc/44/99/48/350449948.db2.gz ABNOEDGPPFFUFH-YNEHKIRRSA-N 2 2 297.399 0.080 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000140016524 350449950 /nfs/dbraw/zinc/44/99/50/350449950.db2.gz ABNOEDGPPFFUFH-YNEHKIRRSA-N 2 2 297.399 0.080 20 0 CCADLP COc1cc[nH+]c(CN2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000106860988 186142471 /nfs/dbraw/zinc/14/24/71/186142471.db2.gz HCSLHVKDPFLGSH-CQSZACIVSA-N 2 2 265.357 0.853 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CC2(O)CCCC2)CC1 ZINC000152012677 350515546 /nfs/dbraw/zinc/51/55/46/350515546.db2.gz OLLJAWZNLQGLFW-AWEZNQCLSA-N 2 2 297.443 0.776 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CC2(O)CCCC2)CC1 ZINC000152012677 350515550 /nfs/dbraw/zinc/51/55/50/350515550.db2.gz OLLJAWZNLQGLFW-AWEZNQCLSA-N 2 2 297.443 0.776 20 0 CCADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCc1ccccc1F ZINC000107576550 186180211 /nfs/dbraw/zinc/18/02/11/186180211.db2.gz NHVWSMDEVQMMSV-BETUJISGSA-N 2 2 277.343 0.593 20 0 CCADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCc1ccccc1F ZINC000107576550 186180213 /nfs/dbraw/zinc/18/02/13/186180213.db2.gz NHVWSMDEVQMMSV-BETUJISGSA-N 2 2 277.343 0.593 20 0 CCADLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(-n2cncn2)cc1 ZINC000154382591 350586780 /nfs/dbraw/zinc/58/67/80/350586780.db2.gz LMRYASJQEFJOPY-DOMZBBRYSA-N 2 2 289.383 0.840 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CC[N@@H+]1C ZINC000155865377 350623214 /nfs/dbraw/zinc/62/32/14/350623214.db2.gz PWACJSPUVIKVPI-RDBSUJKOSA-N 3 2 255.406 0.515 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CC[N@H+]1C ZINC000155865377 350623219 /nfs/dbraw/zinc/62/32/19/350623219.db2.gz PWACJSPUVIKVPI-RDBSUJKOSA-N 3 2 255.406 0.515 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)o2)CC[N@@H+]1C ZINC000157727758 350648894 /nfs/dbraw/zinc/64/88/94/350648894.db2.gz DKTAWINDRNOUMD-NXEZZACHSA-N 2 2 287.385 0.499 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)o2)CC[N@H+]1C ZINC000157727758 350648896 /nfs/dbraw/zinc/64/88/96/350648896.db2.gz DKTAWINDRNOUMD-NXEZZACHSA-N 2 2 287.385 0.499 20 0 CCADLP Cc1noc([C@H](C)N2CC[NH+](CCn3cc[nH+]c3)CC2)n1 ZINC000162972565 350757583 /nfs/dbraw/zinc/75/75/83/350757583.db2.gz GALZHGNMMIRGDA-LBPRGKRZSA-N 2 2 290.371 0.953 20 0 CCADLP Cc1cc[nH+]c(N2CCN(C(=O)Cn3cc[nH+]c3)CC2)c1 ZINC000162216336 350739614 /nfs/dbraw/zinc/73/96/14/350739614.db2.gz KXQWDTSJMULKRY-UHFFFAOYSA-N 2 2 285.351 0.935 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1COCC[NH2+]1)c1cccc(F)c1 ZINC000163591124 350769225 /nfs/dbraw/zinc/76/92/25/350769225.db2.gz MWQFZWGCBMEVID-UONOGXRCSA-N 2 2 295.358 0.533 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@H]([NH3+])[C@H](C)CC)CC1 ZINC000164472821 350780198 /nfs/dbraw/zinc/78/01/98/350780198.db2.gz MWTGNZCNGOHPCL-CHWSQXEVSA-N 2 2 271.405 0.541 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000164801242 350782890 /nfs/dbraw/zinc/78/28/90/350782890.db2.gz MAQVDTPXBFPGQK-LBPRGKRZSA-N 2 2 273.340 0.867 20 0 CCADLP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000164988911 350785534 /nfs/dbraw/zinc/78/55/34/350785534.db2.gz FLYBAARHDAEGOU-WDEREUQCSA-N 2 2 257.403 0.640 20 0 CCADLP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000164988911 350785536 /nfs/dbraw/zinc/78/55/36/350785536.db2.gz FLYBAARHDAEGOU-WDEREUQCSA-N 2 2 257.403 0.640 20 0 CCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)[C@@H]1CCC[NH2+]1 ZINC000165262451 350788373 /nfs/dbraw/zinc/78/83/73/350788373.db2.gz VNDHUKQCXUKIMQ-LBPRGKRZSA-N 2 2 262.357 0.630 20 0 CCADLP O=C(C[NH2+]CC1CC1)NCCc1cn2c([nH+]1)CCCC2 ZINC000165262201 350788914 /nfs/dbraw/zinc/78/89/14/350788914.db2.gz HARTYPQVNAALOD-UHFFFAOYSA-N 2 2 276.384 0.878 20 0 CCADLP O=C(CCCC[NH+]1CCOCC1)NCCCn1cc[nH+]c1 ZINC000170693277 350853426 /nfs/dbraw/zinc/85/34/26/350853426.db2.gz KXRFHPWYXBRUOQ-UHFFFAOYSA-N 2 2 294.399 0.892 20 0 CCADLP COC[C@@H](C)[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000172823247 351012647 /nfs/dbraw/zinc/01/26/47/351012647.db2.gz OPSGTLCXLJILQV-LLVKDONJSA-N 2 2 250.346 0.942 20 0 CCADLP C[C@H](C[NH2+]Cc1ccc(CO)o1)C[NH+]1CCOCC1 ZINC000174417619 351084444 /nfs/dbraw/zinc/08/44/44/351084444.db2.gz LIFREKKUHBZZHU-GFCCVEGCSA-N 2 2 268.357 0.830 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]([NH3+])c2ccccc2)CCO1 ZINC000178743887 351243948 /nfs/dbraw/zinc/24/39/48/351243948.db2.gz YJUAGOGTYSKLMA-AWEZNQCLSA-N 2 2 291.395 0.913 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]([NH3+])c2ccccc2)CCO1 ZINC000178743887 351243949 /nfs/dbraw/zinc/24/39/49/351243949.db2.gz YJUAGOGTYSKLMA-AWEZNQCLSA-N 2 2 291.395 0.913 20 0 CCADLP C[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCC1 ZINC000181042154 351300380 /nfs/dbraw/zinc/30/03/80/351300380.db2.gz PECNEILWASDPHK-DZGCQCFKSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000186729531 351510553 /nfs/dbraw/zinc/51/05/53/351510553.db2.gz QAYJLKGUGYQBHT-YPMHNXCESA-N 2 2 285.351 0.995 20 0 CCADLP CCOC(=O)c1nn(C)cc1C[NH2+]CCC[NH+](C)C ZINC000186295309 351489848 /nfs/dbraw/zinc/48/98/48/351489848.db2.gz OSXWKAOYYFPBFQ-UHFFFAOYSA-N 2 2 268.361 0.638 20 0 CCADLP CCCN(C(=O)c1n[nH]c2c1C[NH2+]CC2)[C@@H]1CC[NH2+]C1 ZINC000188185191 351578828 /nfs/dbraw/zinc/57/88/28/351578828.db2.gz PQQCDBHHXGTCAG-SNVBAGLBSA-N 2 2 277.372 0.270 20 0 CCADLP COCC[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000618560985 366047373 /nfs/dbraw/zinc/04/73/73/366047373.db2.gz BOUVXAFFXCHFBR-CYBMUJFWSA-N 2 2 284.404 0.054 20 0 CCADLP COCC[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000618560985 366047379 /nfs/dbraw/zinc/04/73/79/366047379.db2.gz BOUVXAFFXCHFBR-CYBMUJFWSA-N 2 2 284.404 0.054 20 0 CCADLP CON(C)C(=O)C1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000291714143 198067755 /nfs/dbraw/zinc/06/77/55/198067755.db2.gz IRVMBMUQQFMDKO-UHFFFAOYSA-N 2 2 280.372 0.923 20 0 CCADLP CCNS(=O)(=O)[C@H]1CC[N@H+](CCC[NH+](CC)CC)C1 ZINC000191819183 351774695 /nfs/dbraw/zinc/77/46/95/351774695.db2.gz FOQPMBJRQULKHJ-ZDUSSCGKSA-N 2 2 291.461 0.732 20 0 CCADLP CCNS(=O)(=O)[C@H]1CC[N@@H+](CCC[NH+](CC)CC)C1 ZINC000191819183 351774699 /nfs/dbraw/zinc/77/46/99/351774699.db2.gz FOQPMBJRQULKHJ-ZDUSSCGKSA-N 2 2 291.461 0.732 20 0 CCADLP Nc1cc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)cc[nH+]1 ZINC000193372623 351824860 /nfs/dbraw/zinc/82/48/60/351824860.db2.gz IVPZYRLTMRZCBZ-AWEZNQCLSA-N 2 2 276.384 0.818 20 0 CCADLP COc1cc(C)[nH+]c(CN2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000214134738 351932808 /nfs/dbraw/zinc/93/28/08/351932808.db2.gz BQHQNCKHPVLDOG-ZDUSSCGKSA-N 3 2 264.373 0.473 20 0 CCADLP COc1cc(C)[nH+]c(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000214134738 351932813 /nfs/dbraw/zinc/93/28/13/351932813.db2.gz BQHQNCKHPVLDOG-ZDUSSCGKSA-N 3 2 264.373 0.473 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000220390651 351973049 /nfs/dbraw/zinc/97/30/49/351973049.db2.gz SEKRCIUIQUSRQR-YNEHKIRRSA-N 2 2 269.389 0.293 20 0 CCADLP C[C@H](O)C1CC[NH+](Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC000226437521 352027731 /nfs/dbraw/zinc/02/77/31/352027731.db2.gz FSLRIGNOXQMHIJ-VIFPVBQESA-N 2 2 268.361 0.856 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227073825 352037675 /nfs/dbraw/zinc/03/76/75/352037675.db2.gz GUEUMGWJWUPGGI-WDEREUQCSA-N 2 2 270.377 0.281 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227073825 352037677 /nfs/dbraw/zinc/03/76/77/352037677.db2.gz GUEUMGWJWUPGGI-WDEREUQCSA-N 2 2 270.377 0.281 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000232115640 352140395 /nfs/dbraw/zinc/14/03/95/352140395.db2.gz IMYNCVKQQCNDPH-CQSZACIVSA-N 2 2 292.383 0.090 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000237046259 352239017 /nfs/dbraw/zinc/23/90/17/352239017.db2.gz HFCWCEPKJVIMRY-DRZSPHRISA-N 2 2 269.389 0.339 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000237046259 352239019 /nfs/dbraw/zinc/23/90/19/352239019.db2.gz HFCWCEPKJVIMRY-DRZSPHRISA-N 2 2 269.389 0.339 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000236903866 352225836 /nfs/dbraw/zinc/22/58/36/352225836.db2.gz UESAJXUWZZFFPP-CYDGBPFRSA-N 2 2 271.405 0.585 20 0 CCADLP C[C@@H]([NH3+])C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000237467121 352266687 /nfs/dbraw/zinc/26/66/87/352266687.db2.gz RYKRAYXGSBJAMD-LLVKDONJSA-N 2 2 258.325 0.895 20 0 CCADLP C[NH2+]CC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000237228490 352254567 /nfs/dbraw/zinc/25/45/67/352254567.db2.gz YYAYAZNARAQXSI-UHFFFAOYSA-N 2 2 272.352 0.810 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292038515 198141229 /nfs/dbraw/zinc/14/12/29/198141229.db2.gz AGMGNCVGWVTYFL-LBPRGKRZSA-N 2 2 286.401 0.157 20 0 CCADLP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000246138505 352350011 /nfs/dbraw/zinc/35/00/11/352350011.db2.gz KEQJSGHJYDFLKU-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000246138505 352350013 /nfs/dbraw/zinc/35/00/13/352350013.db2.gz KEQJSGHJYDFLKU-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CCOCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246462097 352368043 /nfs/dbraw/zinc/36/80/43/352368043.db2.gz YZLBYDKEZVXUTG-KGLIPLIRSA-N 2 2 285.432 0.801 20 0 CCADLP CCOCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246462097 352368047 /nfs/dbraw/zinc/36/80/47/352368047.db2.gz YZLBYDKEZVXUTG-KGLIPLIRSA-N 2 2 285.432 0.801 20 0 CCADLP C[N@@H+]1CCN(C(=O)C[C@H]2OCc3ccccc32)[C@@H](C[NH3+])C1 ZINC000655419019 412564610 /nfs/dbraw/zinc/56/46/10/412564610.db2.gz JMNVPIVTENRTMD-DZGCQCFKSA-N 2 2 289.379 0.749 20 0 CCADLP C[N@H+]1CCN(C(=O)C[C@H]2OCc3ccccc32)[C@@H](C[NH3+])C1 ZINC000655419019 412564615 /nfs/dbraw/zinc/56/46/15/412564615.db2.gz JMNVPIVTENRTMD-DZGCQCFKSA-N 2 2 289.379 0.749 20 0 CCADLP C[NH+](C)[C@H]1CCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)C1 ZINC000247254175 352407484 /nfs/dbraw/zinc/40/74/84/352407484.db2.gz UFYYARARWPQRJS-STQMWFEESA-N 2 2 291.399 0.578 20 0 CCADLP O=C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)NC1CCCC1 ZINC000261593895 352561663 /nfs/dbraw/zinc/56/16/63/352561663.db2.gz ZLFYKNZQTAFSCE-CQSZACIVSA-N 2 2 251.374 0.731 20 0 CCADLP O=C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)NC1CCCC1 ZINC000261593895 352561666 /nfs/dbraw/zinc/56/16/66/352561666.db2.gz ZLFYKNZQTAFSCE-CQSZACIVSA-N 2 2 251.374 0.731 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000261956640 352567422 /nfs/dbraw/zinc/56/74/22/352567422.db2.gz QWEMOBIRLVSQRT-KGLIPLIRSA-N 2 2 294.443 0.128 20 0 CCADLP CCC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000262144980 352582880 /nfs/dbraw/zinc/58/28/80/352582880.db2.gz PWVDAAKVMWRWBS-VXGBXAGGSA-N 2 2 285.388 0.210 20 0 CCADLP Cn1cccc1C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000265645988 352653473 /nfs/dbraw/zinc/65/34/73/352653473.db2.gz LBRADWJPRLQNKG-CYBMUJFWSA-N 2 2 264.373 0.455 20 0 CCADLP Cn1cccc1C[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000265645988 352653476 /nfs/dbraw/zinc/65/34/76/352653476.db2.gz LBRADWJPRLQNKG-CYBMUJFWSA-N 2 2 264.373 0.455 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604388987 363193775 /nfs/dbraw/zinc/19/37/75/363193775.db2.gz KFQOOSWJXRVYOA-ZFWWWQNUSA-N 2 2 294.443 0.365 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604388987 363193780 /nfs/dbraw/zinc/19/37/80/363193780.db2.gz KFQOOSWJXRVYOA-ZFWWWQNUSA-N 2 2 294.443 0.365 20 0 CCADLP C[C@H](CC[NH3+])NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000418539629 234159328 /nfs/dbraw/zinc/15/93/28/234159328.db2.gz FUWAPBPNOBBISB-DGCLKSJQSA-N 2 2 278.356 0.982 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000266335645 352697746 /nfs/dbraw/zinc/69/77/46/352697746.db2.gz WXIDTSDKBKRCRB-KBPBESRZSA-N 2 2 289.383 0.927 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000266782640 352720032 /nfs/dbraw/zinc/72/00/32/352720032.db2.gz GYMOMNYWTLDAGW-GFCCVEGCSA-N 2 2 275.356 0.576 20 0 CCADLP C[C@@H](CC[NH3+])NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000418530908 234156462 /nfs/dbraw/zinc/15/64/62/234156462.db2.gz QZYPXBBVEPWCHJ-ZDUSSCGKSA-N 2 2 291.399 0.646 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1[nH+]ccn1C ZINC000266847517 352725381 /nfs/dbraw/zinc/72/53/81/352725381.db2.gz PXSXZWOIEMTQTC-LLVKDONJSA-N 2 2 265.361 0.704 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1[nH+]ccn1C ZINC000266847517 352725384 /nfs/dbraw/zinc/72/53/84/352725384.db2.gz PXSXZWOIEMTQTC-LLVKDONJSA-N 2 2 265.361 0.704 20 0 CCADLP CN(CC[NH+](C)C)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000267160599 352747705 /nfs/dbraw/zinc/74/77/05/352747705.db2.gz YVDDOIJZZJCWKD-UHFFFAOYSA-N 2 2 260.341 0.897 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000267292625 352757235 /nfs/dbraw/zinc/75/72/35/352757235.db2.gz CGLJQWNRODTVFQ-AWEZNQCLSA-N 2 2 292.383 0.454 20 0 CCADLP C[C@@H](NC(=O)N1CC[NH+](Cc2cccnc2)CC1)[C@H](C)[NH3+] ZINC000418694769 234208085 /nfs/dbraw/zinc/20/80/85/234208085.db2.gz IMNZNQDXFQZRFC-QWHCGFSZSA-N 2 2 291.399 0.645 20 0 CCADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@]3(O)CCOC3)n2c1 ZINC000269994333 352894450 /nfs/dbraw/zinc/89/44/50/352894450.db2.gz PVCNQDOVENTLBU-CQSZACIVSA-N 2 2 261.325 0.884 20 0 CCADLP CN(CC[NH+](C)C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000270069088 352900999 /nfs/dbraw/zinc/90/09/99/352900999.db2.gz NIWOVKCTUUPXJU-ZDUSSCGKSA-N 2 2 291.399 0.863 20 0 CCADLP C[NH+](C)C1CN(C(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000270830961 352991582 /nfs/dbraw/zinc/99/15/82/352991582.db2.gz JUZQJNFVGNTVFD-UHFFFAOYSA-N 2 2 258.325 0.649 20 0 CCADLP CC(C)(CNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2)[NH+]1CCOCC1 ZINC000655442049 412571173 /nfs/dbraw/zinc/57/11/73/412571173.db2.gz AMEPGDKPWMXSOF-CZUORRHYSA-N 2 2 295.427 0.603 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655445077 412572330 /nfs/dbraw/zinc/57/23/30/412572330.db2.gz HSPOGRHQBKDEJJ-DYEKYZERSA-N 2 2 262.357 0.778 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000129515904 137646575 /nfs/dbraw/zinc/64/65/75/137646575.db2.gz NKMBKPPCHMJFFE-UONOGXRCSA-N 2 2 298.431 0.300 20 0 CCADLP O=C(NCCn1cc[nH+]c1)NCC1([NH+]2CCOCC2)CC1 ZINC000277403498 353241920 /nfs/dbraw/zinc/24/19/20/353241920.db2.gz JZVKOESWGNXMMT-UHFFFAOYSA-N 2 2 293.371 0.047 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655447138 412575186 /nfs/dbraw/zinc/57/51/86/412575186.db2.gz SBGTWBMOQVCTPJ-CJNGLKHVSA-N 2 2 295.427 0.603 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655447138 412575188 /nfs/dbraw/zinc/57/51/88/412575188.db2.gz SBGTWBMOQVCTPJ-CJNGLKHVSA-N 2 2 295.427 0.603 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)CCc1c[nH+]c[nH]1 ZINC000280600980 353371784 /nfs/dbraw/zinc/37/17/84/353371784.db2.gz UPRIGOKXGUQALD-UHFFFAOYSA-N 2 2 280.372 0.569 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)CCc1c[nH+]c[nH]1 ZINC000280600980 353371787 /nfs/dbraw/zinc/37/17/87/353371787.db2.gz UPRIGOKXGUQALD-UHFFFAOYSA-N 2 2 280.372 0.569 20 0 CCADLP O=c1nc(C2CC[NH+](CCCn3cc[nH+]c3)CC2)[nH][nH]1 ZINC000280699665 353376323 /nfs/dbraw/zinc/37/63/23/353376323.db2.gz ALAIJVNNPFRTRK-UHFFFAOYSA-N 2 2 276.344 0.564 20 0 CCADLP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000604790512 363221343 /nfs/dbraw/zinc/22/13/43/363221343.db2.gz BMVFXAMZQAFEJO-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000604790512 363221345 /nfs/dbraw/zinc/22/13/45/363221345.db2.gz BMVFXAMZQAFEJO-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000604790512 363221346 /nfs/dbraw/zinc/22/13/46/363221346.db2.gz BMVFXAMZQAFEJO-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000604790512 363221347 /nfs/dbraw/zinc/22/13/47/363221347.db2.gz BMVFXAMZQAFEJO-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)C=Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC000283078616 353479505 /nfs/dbraw/zinc/47/95/05/353479505.db2.gz KWAGFJCXZRIENY-FTYDKLPRSA-N 2 2 260.341 0.976 20 0 CCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)C=Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC000283078616 353479508 /nfs/dbraw/zinc/47/95/08/353479508.db2.gz KWAGFJCXZRIENY-FTYDKLPRSA-N 2 2 260.341 0.976 20 0 CCADLP Cc1nc(NCC[N@@H+]2CCCC[C@H]2C)nc(N(C)C)[nH+]1 ZINC000531758167 358479088 /nfs/dbraw/zinc/47/90/88/358479088.db2.gz WAEAOZDXFRUGTP-LLVKDONJSA-N 2 2 278.404 0.954 20 0 CCADLP Cc1nc(N2CC[NH+](C[C@H](O)C(C)C)CC2)cc[nH+]1 ZINC000292828382 353785841 /nfs/dbraw/zinc/78/58/41/353785841.db2.gz DJKLVNZNWREJEK-ZDUSSCGKSA-N 2 2 264.373 0.924 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000293579255 353822114 /nfs/dbraw/zinc/82/21/14/353822114.db2.gz JOWJDMZAVPTERJ-CYBMUJFWSA-N 2 2 294.399 0.316 20 0 CCADLP Cn1ncc(CNc2ccc(N3CC[NH+](C)CC3)c[nH+]2)n1 ZINC000293659912 353828165 /nfs/dbraw/zinc/82/81/65/353828165.db2.gz TWDDGUPWGOYWHQ-UHFFFAOYSA-N 2 2 287.371 0.574 20 0 CCADLP CN(C)c1ccc(CNC(=O)N2CC[NH+](C)CC2)c[nH+]1 ZINC000298684372 353963868 /nfs/dbraw/zinc/96/38/68/353963868.db2.gz ZUECDIQLAKZWMO-UHFFFAOYSA-N 2 2 277.372 0.605 20 0 CCADLP C[C@@H](C[NH2+]C[C@H]1CNc2ccnn2C1)C[NH+]1CCOCC1 ZINC000606472492 363291070 /nfs/dbraw/zinc/29/10/70/363291070.db2.gz JQVHLJVJSQZREP-KBPBESRZSA-N 2 2 293.415 0.483 20 0 CCADLP C[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000606676463 363303376 /nfs/dbraw/zinc/30/33/76/363303376.db2.gz CWLWMDPHTKYHMV-GXTWGEPZSA-N 2 2 298.431 0.347 20 0 CCADLP C[C@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000606676463 363303379 /nfs/dbraw/zinc/30/33/79/363303379.db2.gz CWLWMDPHTKYHMV-GXTWGEPZSA-N 2 2 298.431 0.347 20 0 CCADLP [NH3+]C[C@H]([NH2+]CC(=O)Nc1ccncc1)C1CCCCC1 ZINC000420380728 234620788 /nfs/dbraw/zinc/62/07/88/234620788.db2.gz YQDHTTIMVDFWGS-AWEZNQCLSA-N 2 2 276.384 0.939 20 0 CCADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@@H](O)C1 ZINC000304140211 354106957 /nfs/dbraw/zinc/10/69/57/354106957.db2.gz ZRBLXPWTGGEXCQ-CABCVRRESA-N 2 2 264.369 0.546 20 0 CCADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@@H](O)C1 ZINC000304140211 354106960 /nfs/dbraw/zinc/10/69/60/354106960.db2.gz ZRBLXPWTGGEXCQ-CABCVRRESA-N 2 2 264.369 0.546 20 0 CCADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@@H](O)C1 ZINC000304140211 354106963 /nfs/dbraw/zinc/10/69/63/354106963.db2.gz ZRBLXPWTGGEXCQ-CABCVRRESA-N 2 2 264.369 0.546 20 0 CCADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@@H](O)C1 ZINC000304140211 354106965 /nfs/dbraw/zinc/10/69/65/354106965.db2.gz ZRBLXPWTGGEXCQ-CABCVRRESA-N 2 2 264.369 0.546 20 0 CCADLP C[C@@H](c1cnccn1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000311913186 354205345 /nfs/dbraw/zinc/20/53/45/354205345.db2.gz HTZGJUDHJUQVBH-QWHCGFSZSA-N 2 2 261.373 0.517 20 0 CCADLP C[C@H]1CCCN(C(=O)C[N@@H+]2CCCO[C@@H](C[NH3+])C2)C1 ZINC000313343778 354213279 /nfs/dbraw/zinc/21/32/79/354213279.db2.gz PIWVJPMIJNECAX-STQMWFEESA-N 2 2 269.389 0.295 20 0 CCADLP C[C@H]1CCCN(C(=O)C[N@H+]2CCCO[C@@H](C[NH3+])C2)C1 ZINC000313343778 354213283 /nfs/dbraw/zinc/21/32/83/354213283.db2.gz PIWVJPMIJNECAX-STQMWFEESA-N 2 2 269.389 0.295 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000313985509 354221401 /nfs/dbraw/zinc/22/14/01/354221401.db2.gz MYHHHYINDVGQIN-PMPSAXMXSA-N 3 2 299.459 0.342 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000313985509 354221404 /nfs/dbraw/zinc/22/14/04/354221404.db2.gz MYHHHYINDVGQIN-PMPSAXMXSA-N 3 2 299.459 0.342 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000313985509 354221406 /nfs/dbraw/zinc/22/14/06/354221406.db2.gz MYHHHYINDVGQIN-PMPSAXMXSA-N 3 2 299.459 0.342 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000313985509 354221410 /nfs/dbraw/zinc/22/14/10/354221410.db2.gz MYHHHYINDVGQIN-PMPSAXMXSA-N 3 2 299.459 0.342 20 0 CCADLP CC[NH+](CC)CC1CC[NH+](Cc2nnn(C)n2)CC1 ZINC000328601222 354234476 /nfs/dbraw/zinc/23/44/76/354234476.db2.gz FCWYYPAMRRGMNA-UHFFFAOYSA-N 2 2 266.393 0.764 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000329890774 354269601 /nfs/dbraw/zinc/26/96/01/354269601.db2.gz GTNPFFAJOBVYQJ-CYBMUJFWSA-N 2 2 292.383 0.523 20 0 CCADLP C[C@H](CNC(=O)[C@H]1C[C@H](C)CC[NH2+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488443 412589257 /nfs/dbraw/zinc/58/92/57/412589257.db2.gz ZTGODHUGSXBBQS-ARILJUKYSA-N 2 2 297.443 0.988 20 0 CCADLP C[C@H](CNC(=O)[C@H]1C[C@H](C)CC[NH2+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488443 412589260 /nfs/dbraw/zinc/58/92/60/412589260.db2.gz ZTGODHUGSXBBQS-ARILJUKYSA-N 2 2 297.443 0.988 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)C[C@H]1C ZINC000423891622 291026517 /nfs/dbraw/zinc/02/65/17/291026517.db2.gz JSSNPNBQSNBIIL-DGCLKSJQSA-N 2 2 299.415 0.456 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)C[C@H]1C ZINC000423891622 291026519 /nfs/dbraw/zinc/02/65/19/291026519.db2.gz JSSNPNBQSNBIIL-DGCLKSJQSA-N 2 2 299.415 0.456 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)NCc2ccc(N(C)C)[nH+]c2)[N@H+](C)C1 ZINC000330508666 354386175 /nfs/dbraw/zinc/38/61/75/354386175.db2.gz AQYNJOGPYGWWKW-STQMWFEESA-N 2 2 292.383 0.483 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)NCc2ccc(N(C)C)[nH+]c2)[N@@H+](C)C1 ZINC000330508666 354386177 /nfs/dbraw/zinc/38/61/77/354386177.db2.gz AQYNJOGPYGWWKW-STQMWFEESA-N 2 2 292.383 0.483 20 0 CCADLP COC(=O)CCN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182573091 291027982 /nfs/dbraw/zinc/02/79/82/291027982.db2.gz CJPMAHNVDRCTSN-YIONKMFJSA-N 2 2 295.427 0.792 20 0 CCADLP COC(=O)CCN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182573091 291027984 /nfs/dbraw/zinc/02/79/84/291027984.db2.gz CJPMAHNVDRCTSN-YIONKMFJSA-N 2 2 295.427 0.792 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](C(=O)OC)C2)CC1 ZINC000330449294 354363076 /nfs/dbraw/zinc/36/30/76/354363076.db2.gz ZPCUZMABWYRLSQ-STQMWFEESA-N 2 2 297.399 0.034 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](C(=O)OC)C2)CC1 ZINC000330449294 354363078 /nfs/dbraw/zinc/36/30/78/354363078.db2.gz ZPCUZMABWYRLSQ-STQMWFEESA-N 2 2 297.399 0.034 20 0 CCADLP COCC1(CCNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CCC1 ZINC000557232160 291028386 /nfs/dbraw/zinc/02/83/86/291028386.db2.gz HONFKSKWVLDPGS-ZDUSSCGKSA-N 2 2 298.431 0.478 20 0 CCADLP C[C@H]1CCC[C@@H]1[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000332537129 354693319 /nfs/dbraw/zinc/69/33/19/354693319.db2.gz ABVMAKHFHLFPAT-KBPBESRZSA-N 2 2 297.443 0.992 20 0 CCADLP O=c1cc2c(n[nH]1)CC[N@H+](CCC[NH+]1CCOCC1)C2 ZINC000332427020 354669291 /nfs/dbraw/zinc/66/92/91/354669291.db2.gz CIGHLLFKOJUAEK-UHFFFAOYSA-N 2 2 278.356 0.263 20 0 CCADLP O=c1cc2c(n[nH]1)CC[N@@H+](CCC[NH+]1CCOCC1)C2 ZINC000332427020 354669296 /nfs/dbraw/zinc/66/92/96/354669296.db2.gz CIGHLLFKOJUAEK-UHFFFAOYSA-N 2 2 278.356 0.263 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](Cc2cccnc2N)CC1 ZINC000332444233 354673149 /nfs/dbraw/zinc/67/31/49/354673149.db2.gz JZEZGTUBVPTOSN-UHFFFAOYSA-N 2 2 272.356 0.720 20 0 CCADLP C[C@@H]1CCN(C(=O)N[C@H]2CC[NH2+]C2)C[C@@H]1n1cc[nH+]c1 ZINC000333753346 354787951 /nfs/dbraw/zinc/78/79/51/354787951.db2.gz ZIWOWDVMCHZFTE-AGIUHOORSA-N 2 2 277.372 0.838 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)N[C@H]2CCC[NH2+]C2)CCO1 ZINC000333748899 354788016 /nfs/dbraw/zinc/78/80/16/354788016.db2.gz JTDAHMPCAVNMFJ-LBPRGKRZSA-N 2 2 284.404 0.148 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)N[C@H]2CCC[NH2+]C2)CCO1 ZINC000333748899 354788018 /nfs/dbraw/zinc/78/80/18/354788018.db2.gz JTDAHMPCAVNMFJ-LBPRGKRZSA-N 2 2 284.404 0.148 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)n1 ZINC000333768120 354790222 /nfs/dbraw/zinc/79/02/22/354790222.db2.gz DWGLZUHATGYGSZ-CYBMUJFWSA-N 2 2 291.399 0.224 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)n1 ZINC000333768120 354790224 /nfs/dbraw/zinc/79/02/24/354790224.db2.gz DWGLZUHATGYGSZ-CYBMUJFWSA-N 2 2 291.399 0.224 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCn2cc[nH+]c2C1 ZINC000333857499 354806257 /nfs/dbraw/zinc/80/62/57/354806257.db2.gz RGUNLFFNUKEDAJ-QWRGUYRKSA-N 2 2 263.345 0.406 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000333871371 354808320 /nfs/dbraw/zinc/80/83/20/354808320.db2.gz UQKPUXWKEIWPRG-JHJVBQTASA-N 2 2 291.399 0.917 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]Cc2c[nH+]cn2C)C(=O)N1c1cnn(C)c1 ZINC000608075324 363398478 /nfs/dbraw/zinc/39/84/78/363398478.db2.gz MVKKPGAZIHLIHD-MFKMUULPSA-N 2 2 288.355 0.437 20 0 CCADLP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000334686798 354923984 /nfs/dbraw/zinc/92/39/84/354923984.db2.gz KPSPATQHWDFOLR-NWDGAFQWSA-N 2 2 287.354 0.974 20 0 CCADLP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000334686802 354925062 /nfs/dbraw/zinc/92/50/62/354925062.db2.gz KPSPATQHWDFOLR-VXGBXAGGSA-N 2 2 287.354 0.974 20 0 CCADLP O=C(NCC1=CC[NH2+]CC1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000423559014 235007155 /nfs/dbraw/zinc/00/71/55/235007155.db2.gz SUMHOBZQLUUFNQ-HNNXBMFYSA-N 2 2 293.411 0.666 20 0 CCADLP O=C(NCC1=CC[NH2+]CC1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000423559014 235007159 /nfs/dbraw/zinc/00/71/59/235007159.db2.gz SUMHOBZQLUUFNQ-HNNXBMFYSA-N 2 2 293.411 0.666 20 0 CCADLP Cc1csc(=O)n1CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000335907518 355042991 /nfs/dbraw/zinc/04/29/91/355042991.db2.gz QTTNJUJFJOKEDT-NWDGAFQWSA-N 2 2 267.398 0.902 20 0 CCADLP Cc1csc(=O)n1CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000335907518 355042993 /nfs/dbraw/zinc/04/29/93/355042993.db2.gz QTTNJUJFJOKEDT-NWDGAFQWSA-N 2 2 267.398 0.902 20 0 CCADLP O=C(C[C@H]1CCC[NH2+]CC1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000423763064 235064839 /nfs/dbraw/zinc/06/48/39/235064839.db2.gz TZNPEJKULJOMAV-ZFWWWQNUSA-N 2 2 295.427 0.746 20 0 CCADLP O=C(C[C@H]1CCC[NH2+]CC1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000423763064 235064844 /nfs/dbraw/zinc/06/48/44/235064844.db2.gz TZNPEJKULJOMAV-ZFWWWQNUSA-N 2 2 295.427 0.746 20 0 CCADLP [NH3+]C1(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CCCCC1 ZINC000423765469 235067031 /nfs/dbraw/zinc/06/70/31/235067031.db2.gz XGDKFTWKTBFQBU-CYBMUJFWSA-N 2 2 281.400 0.627 20 0 CCADLP [NH3+]C1(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CCCCC1 ZINC000423765469 235067036 /nfs/dbraw/zinc/06/70/36/235067036.db2.gz XGDKFTWKTBFQBU-CYBMUJFWSA-N 2 2 281.400 0.627 20 0 CCADLP CCNC(=O)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000335855681 355029076 /nfs/dbraw/zinc/02/90/76/355029076.db2.gz RMUVGVRXORXNGU-LBPRGKRZSA-N 2 2 254.378 0.333 20 0 CCADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCC[NH2+]CC1 ZINC000336129468 355099620 /nfs/dbraw/zinc/09/96/20/355099620.db2.gz NZYJULKKDJKLCP-ZDUSSCGKSA-N 2 2 253.390 0.929 20 0 CCADLP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CCC[NH2+]CC1 ZINC000336129468 355099622 /nfs/dbraw/zinc/09/96/22/355099622.db2.gz NZYJULKKDJKLCP-ZDUSSCGKSA-N 2 2 253.390 0.929 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1COCCO1 ZINC000336694087 355137138 /nfs/dbraw/zinc/13/71/38/355137138.db2.gz DHRZXUUQKCRBSQ-RDBSUJKOSA-N 2 2 254.374 0.960 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1COCCO1 ZINC000336694087 355137140 /nfs/dbraw/zinc/13/71/40/355137140.db2.gz DHRZXUUQKCRBSQ-RDBSUJKOSA-N 2 2 254.374 0.960 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1COCCO1 ZINC000336694087 355137141 /nfs/dbraw/zinc/13/71/41/355137141.db2.gz DHRZXUUQKCRBSQ-RDBSUJKOSA-N 2 2 254.374 0.960 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1COCCO1 ZINC000336694087 355137144 /nfs/dbraw/zinc/13/71/44/355137144.db2.gz DHRZXUUQKCRBSQ-RDBSUJKOSA-N 2 2 254.374 0.960 20 0 CCADLP C[C@H](O)CC[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000336701373 355141103 /nfs/dbraw/zinc/14/11/03/355141103.db2.gz DXHPWONGPQUJBE-QWHCGFSZSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@H](O)CC[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000336701373 355141107 /nfs/dbraw/zinc/14/11/07/355141107.db2.gz DXHPWONGPQUJBE-QWHCGFSZSA-N 2 2 256.390 0.942 20 0 CCADLP CCOCCC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000336725503 355152074 /nfs/dbraw/zinc/15/20/74/355152074.db2.gz KGPBFIDETUVQJU-UHFFFAOYSA-N 2 2 252.362 0.969 20 0 CCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000336785415 355158625 /nfs/dbraw/zinc/15/86/25/355158625.db2.gz DHNMJMBVWPYAPL-TZMCWYRMSA-N 2 2 253.390 0.977 20 0 CCADLP CCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000336785415 355158626 /nfs/dbraw/zinc/15/86/26/355158626.db2.gz DHNMJMBVWPYAPL-TZMCWYRMSA-N 2 2 253.390 0.977 20 0 CCADLP COCCO[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336837995 355209282 /nfs/dbraw/zinc/20/92/82/355209282.db2.gz MIUCOEJMWMVZDL-LSDHHAIUSA-N 2 2 286.416 0.569 20 0 CCADLP COCCO[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336837995 355209284 /nfs/dbraw/zinc/20/92/84/355209284.db2.gz MIUCOEJMWMVZDL-LSDHHAIUSA-N 2 2 286.416 0.569 20 0 CCADLP COCCO[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000336837995 355209286 /nfs/dbraw/zinc/20/92/86/355209286.db2.gz MIUCOEJMWMVZDL-LSDHHAIUSA-N 2 2 286.416 0.569 20 0 CCADLP COCCO[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336837995 355209288 /nfs/dbraw/zinc/20/92/88/355209288.db2.gz MIUCOEJMWMVZDL-LSDHHAIUSA-N 2 2 286.416 0.569 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H]1CN1CCOCC1)C1CC1 ZINC000336848197 355216133 /nfs/dbraw/zinc/21/61/33/355216133.db2.gz IBOMDHCJNDJLCX-JKSUJKDBSA-N 2 2 297.443 0.238 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H]1CN1CCOCC1)C1CC1 ZINC000336848197 355216134 /nfs/dbraw/zinc/21/61/34/355216134.db2.gz IBOMDHCJNDJLCX-JKSUJKDBSA-N 2 2 297.443 0.238 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H]1CN1CCOCC1)C1CC1 ZINC000336848197 355216136 /nfs/dbraw/zinc/21/61/36/355216136.db2.gz IBOMDHCJNDJLCX-JKSUJKDBSA-N 2 2 297.443 0.238 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H]1CN1CCOCC1)C1CC1 ZINC000336848197 355216138 /nfs/dbraw/zinc/21/61/38/355216138.db2.gz IBOMDHCJNDJLCX-JKSUJKDBSA-N 2 2 297.443 0.238 20 0 CCADLP C[N@H+](C[C@@H](O)CN1CCC[C@H]1C[NH+]1CCOCC1)C1CC1 ZINC000336848197 355216140 /nfs/dbraw/zinc/21/61/40/355216140.db2.gz IBOMDHCJNDJLCX-JKSUJKDBSA-N 2 2 297.443 0.238 20 0 CCADLP C[N@@H+](C[C@@H](O)CN1CCC[C@H]1C[NH+]1CCOCC1)C1CC1 ZINC000336848197 355216142 /nfs/dbraw/zinc/21/61/42/355216142.db2.gz IBOMDHCJNDJLCX-JKSUJKDBSA-N 2 2 297.443 0.238 20 0 CCADLP [NH3+]Cc1cc(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)co1 ZINC000424173509 235168790 /nfs/dbraw/zinc/16/87/90/235168790.db2.gz DXAXBNQSBYZHDW-VIFPVBQESA-N 2 2 273.283 0.713 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC[NH+]1CCOCC1 ZINC000336799627 355172659 /nfs/dbraw/zinc/17/26/59/355172659.db2.gz JIHOACNTCBWILL-CABCVRRESA-N 2 2 267.417 0.877 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CC[NH+]1CCOCC1 ZINC000336799627 355172663 /nfs/dbraw/zinc/17/26/63/355172663.db2.gz JIHOACNTCBWILL-CABCVRRESA-N 2 2 267.417 0.877 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCN1CCOCC1 ZINC000336799627 355172666 /nfs/dbraw/zinc/17/26/66/355172666.db2.gz JIHOACNTCBWILL-CABCVRRESA-N 2 2 267.417 0.877 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCN1CCOCC1 ZINC000336799627 355172668 /nfs/dbraw/zinc/17/26/68/355172668.db2.gz JIHOACNTCBWILL-CABCVRRESA-N 2 2 267.417 0.877 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCN1CCOCC1 ZINC000336799627 355172672 /nfs/dbraw/zinc/17/26/72/355172672.db2.gz JIHOACNTCBWILL-CABCVRRESA-N 2 2 267.417 0.877 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCN1CCOCC1 ZINC000336799627 355172676 /nfs/dbraw/zinc/17/26/76/355172676.db2.gz JIHOACNTCBWILL-CABCVRRESA-N 2 2 267.417 0.877 20 0 CCADLP c1cn(C2CC[NH+](CCN3CCOCC3)CC2)c[nH+]1 ZINC000336802455 355176917 /nfs/dbraw/zinc/17/69/17/355176917.db2.gz UPGIDNOYIMEBQJ-UHFFFAOYSA-N 2 2 264.373 0.852 20 0 CCADLP C[C@@H]1CN(CC[N@H+](C)C[C@H]2CCC[NH+](C)C2)CCO1 ZINC000337259562 355292333 /nfs/dbraw/zinc/29/23/33/355292333.db2.gz WDVNYSJPOYUOED-CABCVRRESA-N 2 2 269.433 0.981 20 0 CCADLP C[C@@H]1CN(CC[N@@H+](C)C[C@H]2CCC[NH+](C)C2)CCO1 ZINC000337259562 355292336 /nfs/dbraw/zinc/29/23/36/355292336.db2.gz WDVNYSJPOYUOED-CABCVRRESA-N 2 2 269.433 0.981 20 0 CCADLP C[C@@H]1C[NH+](CCN(C)C[C@H]2CCC[N@H+](C)C2)CCO1 ZINC000337259562 355292348 /nfs/dbraw/zinc/29/23/48/355292348.db2.gz WDVNYSJPOYUOED-CABCVRRESA-N 2 2 269.433 0.981 20 0 CCADLP C[C@@H]1C[NH+](CCN(C)C[C@H]2CCC[N@@H+](C)C2)CCO1 ZINC000337259562 355292350 /nfs/dbraw/zinc/29/23/50/355292350.db2.gz WDVNYSJPOYUOED-CABCVRRESA-N 2 2 269.433 0.981 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000338097650 355309597 /nfs/dbraw/zinc/30/95/97/355309597.db2.gz DNDGIQRLLNKPHA-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000338097650 355309600 /nfs/dbraw/zinc/30/96/00/355309600.db2.gz DNDGIQRLLNKPHA-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000338097650 355309604 /nfs/dbraw/zinc/30/96/04/355309604.db2.gz DNDGIQRLLNKPHA-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000338097650 355309607 /nfs/dbraw/zinc/30/96/07/355309607.db2.gz DNDGIQRLLNKPHA-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP CC[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000338316606 355319712 /nfs/dbraw/zinc/31/97/12/355319712.db2.gz RBCCWRSFYPRYIG-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP CC[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000338316606 355319715 /nfs/dbraw/zinc/31/97/15/355319715.db2.gz RBCCWRSFYPRYIG-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@]2(C)C[C@H]2F)CC1 ZINC000424715438 235228626 /nfs/dbraw/zinc/22/86/26/235228626.db2.gz ZXBYMAKDBANKSE-OCCSQVGLSA-N 2 2 271.380 0.877 20 0 CCADLP CC[N@@H+]1CC[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC000339092641 355485761 /nfs/dbraw/zinc/48/57/61/355485761.db2.gz XNBCCEYDENLVLP-GFCCVEGCSA-N 2 2 264.373 0.811 20 0 CCADLP CC[N@H+]1CC[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC000339092641 355485765 /nfs/dbraw/zinc/48/57/65/355485765.db2.gz XNBCCEYDENLVLP-GFCCVEGCSA-N 2 2 264.373 0.811 20 0 CCADLP CC(C)N1CC[NH+](C2CCN(C(=O)C[NH+](C)C)CC2)CC1 ZINC000341106897 355607317 /nfs/dbraw/zinc/60/73/17/355607317.db2.gz MPGSKKMMOGDXFZ-UHFFFAOYSA-N 2 2 296.459 0.565 20 0 CCADLP CC(C)[NH+]1CCN(C2CCN(C(=O)C[NH+](C)C)CC2)CC1 ZINC000341106897 355607323 /nfs/dbraw/zinc/60/73/23/355607323.db2.gz MPGSKKMMOGDXFZ-UHFFFAOYSA-N 2 2 296.459 0.565 20 0 CCADLP CO[C@@H](C[NH+]1CCN(Cc2[nH+]ccn2C)CC1)C1CC1 ZINC000425409435 235294047 /nfs/dbraw/zinc/29/40/47/235294047.db2.gz VSEVCWJGFAZIEG-AWEZNQCLSA-N 2 2 278.400 0.963 20 0 CCADLP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000341332997 355654684 /nfs/dbraw/zinc/65/46/84/355654684.db2.gz YFCNLXJAQQZMIB-YNEHKIRRSA-N 2 2 294.399 0.924 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)C[NH+](C)C ZINC000341232171 355635922 /nfs/dbraw/zinc/63/59/22/355635922.db2.gz WNWSTKVKHSRHGW-NEPJUHHUSA-N 2 2 264.373 0.759 20 0 CCADLP O=C(NCCn1cc[nH+]c1)[C@@H]1CC[NH2+]CC1(F)F ZINC000342766926 355741642 /nfs/dbraw/zinc/74/16/42/355741642.db2.gz YUASGIPFXHRRME-VIFPVBQESA-N 2 2 258.272 0.244 20 0 CCADLP C[C@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CCOCC1 ZINC000342777152 355744032 /nfs/dbraw/zinc/74/40/32/355744032.db2.gz BZUPCAHFWYILCK-JKXDFHQYSA-N 2 2 295.427 0.791 20 0 CCADLP C[C@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCOCC1 ZINC000342777152 355744034 /nfs/dbraw/zinc/74/40/34/355744034.db2.gz BZUPCAHFWYILCK-JKXDFHQYSA-N 2 2 295.427 0.791 20 0 CCADLP Cc1c[nH+]c(CN2CC[N@@H+](C[C@H](C)O)C[C@H]2C)n1C ZINC000342842150 355756457 /nfs/dbraw/zinc/75/64/57/355756457.db2.gz CHDWWUDQXLJCKH-OLZOCXBDSA-N 2 2 266.389 0.615 20 0 CCADLP Cc1c[nH+]c(CN2CC[N@H+](C[C@H](C)O)C[C@H]2C)n1C ZINC000342842150 355756463 /nfs/dbraw/zinc/75/64/63/355756463.db2.gz CHDWWUDQXLJCKH-OLZOCXBDSA-N 2 2 266.389 0.615 20 0 CCADLP O=C1C[N@H+](C[C@@H]2CCC[NH2+]C2)[C@H]2CCCC[C@@H]2N1 ZINC000346843516 355873942 /nfs/dbraw/zinc/87/39/42/355873942.db2.gz JOJLVSXRTPPCFH-AGIUHOORSA-N 2 2 251.374 0.729 20 0 CCADLP O=C1C[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@H]2CCCC[C@@H]2N1 ZINC000346843516 355873945 /nfs/dbraw/zinc/87/39/45/355873945.db2.gz JOJLVSXRTPPCFH-AGIUHOORSA-N 2 2 251.374 0.729 20 0 CCADLP CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@H](O)C[NH+](C)C3CC3)[C@H]2C1 ZINC000351715264 356005082 /nfs/dbraw/zinc/00/50/82/356005082.db2.gz IHFDKVSVWLZFRL-WCVJEAGWSA-N 2 2 298.427 0.710 20 0 CCADLP CO[C@@H]1CC[C@@H]2OCC[N@@H+](C[C@H](O)C[NH+](C)C3CC3)[C@H]2C1 ZINC000351715264 356005085 /nfs/dbraw/zinc/00/50/85/356005085.db2.gz IHFDKVSVWLZFRL-WCVJEAGWSA-N 2 2 298.427 0.710 20 0 CCADLP CO[C@@H]1CC[C@@H]2OCC[NH+](C[C@H](O)C[N@H+](C)C3CC3)[C@H]2C1 ZINC000351715264 356005087 /nfs/dbraw/zinc/00/50/87/356005087.db2.gz IHFDKVSVWLZFRL-WCVJEAGWSA-N 2 2 298.427 0.710 20 0 CCADLP CO[C@@H]1CC[C@@H]2OCC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)[C@H]2C1 ZINC000351715264 356005090 /nfs/dbraw/zinc/00/50/90/356005090.db2.gz IHFDKVSVWLZFRL-WCVJEAGWSA-N 2 2 298.427 0.710 20 0 CCADLP COC(=O)c1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)[nH]1 ZINC000352690040 356055047 /nfs/dbraw/zinc/05/50/47/356055047.db2.gz BHTOECPXQZHICP-ZDUSSCGKSA-N 2 2 292.383 0.281 20 0 CCADLP CCCCNc1cc(NCC[N@H+](C)CC)nc(N)[nH+]1 ZINC000341775235 535295560 /nfs/dbraw/zinc/29/55/60/535295560.db2.gz IIGOYYVKYANUJM-UHFFFAOYSA-N 2 2 266.393 0.887 20 0 CCADLP CCCCNc1cc(NCC[N@@H+](C)CC)nc(N)[nH+]1 ZINC000341775235 535295564 /nfs/dbraw/zinc/29/55/64/535295564.db2.gz IIGOYYVKYANUJM-UHFFFAOYSA-N 2 2 266.393 0.887 20 0 CCADLP NC(=O)c1csc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000352700523 356058541 /nfs/dbraw/zinc/05/85/41/356058541.db2.gz QWXYYWMWKHMDJQ-GFCCVEGCSA-N 2 2 294.424 0.327 20 0 CCADLP CC(=O)N1CC[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000352749392 356070438 /nfs/dbraw/zinc/07/04/38/356070438.db2.gz MWIJWJPEWFQYRU-NSHDSACASA-N 2 2 282.413 0.915 20 0 CCADLP C[NH+](C)Cc1cnc(C[NH2+]CCn2cncn2)s1 ZINC000352770638 356075936 /nfs/dbraw/zinc/07/59/36/356075936.db2.gz LAPKJKSTKIHMPE-UHFFFAOYSA-N 2 2 266.374 0.586 20 0 CCADLP C[NH+](C)Cc1cnc(C[NH2+]CC(=O)NC2CC2)s1 ZINC000352775251 356076920 /nfs/dbraw/zinc/07/69/20/356076920.db2.gz ZNVITIZPIFJYNF-UHFFFAOYSA-N 2 2 268.386 0.573 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H]2C(F)F)CC1 ZINC000353179572 356172106 /nfs/dbraw/zinc/17/21/06/356172106.db2.gz JEWDSNCONMVYQC-NSHDSACASA-N 2 2 275.343 0.880 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H]2C(F)F)CC1 ZINC000353179572 356172109 /nfs/dbraw/zinc/17/21/09/356172109.db2.gz JEWDSNCONMVYQC-NSHDSACASA-N 2 2 275.343 0.880 20 0 CCADLP COCC[NH+](CCOC)C1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000353025250 356140422 /nfs/dbraw/zinc/14/04/22/356140422.db2.gz IJIPFDNVAPSSFU-UHFFFAOYSA-N 2 2 296.415 0.969 20 0 CCADLP COCC[NH+](CCOC)C1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000353025250 356140425 /nfs/dbraw/zinc/14/04/25/356140425.db2.gz IJIPFDNVAPSSFU-UHFFFAOYSA-N 2 2 296.415 0.969 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000273017977 192019722 /nfs/dbraw/zinc/01/97/22/192019722.db2.gz BVWZEGAKGFIFPV-LBPRGKRZSA-N 2 2 280.372 0.276 20 0 CCADLP CC[C@@H](Cn1cncn1)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000353265584 356190843 /nfs/dbraw/zinc/19/08/43/356190843.db2.gz YWVCPNUGOVRIDC-KBPBESRZSA-N 2 2 281.404 0.615 20 0 CCADLP COc1c(C[N@H+](C)C2CC[NH+](CCO)CC2)c(C)nn1C ZINC000353353428 356208004 /nfs/dbraw/zinc/20/80/04/356208004.db2.gz NHKJMPYXQHSDBF-UHFFFAOYSA-N 2 2 296.415 0.626 20 0 CCADLP COc1c(C[N@@H+](C)C2CC[NH+](CCO)CC2)c(C)nn1C ZINC000353353428 356208010 /nfs/dbraw/zinc/20/80/10/356208010.db2.gz NHKJMPYXQHSDBF-UHFFFAOYSA-N 2 2 296.415 0.626 20 0 CCADLP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000360815007 138011884 /nfs/dbraw/zinc/01/18/84/138011884.db2.gz DGAKRUNIRATQKV-VHSXEESVSA-N 2 2 261.316 0.442 20 0 CCADLP CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000360815007 138011885 /nfs/dbraw/zinc/01/18/85/138011885.db2.gz DGAKRUNIRATQKV-VHSXEESVSA-N 2 2 261.316 0.442 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000353669936 356269872 /nfs/dbraw/zinc/26/98/72/356269872.db2.gz XALJYSWIDWSXAC-YPMHNXCESA-N 2 2 279.388 0.427 20 0 CCADLP C[C@H](C[NH2+]C1CCC(O)CC1)C[NH+]1CCOCC1 ZINC000353529200 356245563 /nfs/dbraw/zinc/24/55/63/356245563.db2.gz JAOGPHBTLUJWDT-IYXRBSQSSA-N 2 2 256.390 0.848 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)NCc1[nH+]ccn1C ZINC000273564016 192205411 /nfs/dbraw/zinc/20/54/11/192205411.db2.gz DUSRDPFFGWLQAN-UHFFFAOYSA-N 2 2 259.313 0.811 20 0 CCADLP CCn1cc(C[N@H+](CCO)CCn2cc[nH+]c2)cn1 ZINC000361355822 138031706 /nfs/dbraw/zinc/03/17/06/138031706.db2.gz JDORTZZJBQAVHH-UHFFFAOYSA-N 2 2 263.345 0.594 20 0 CCADLP CCn1cc(C[N@@H+](CCO)CCn2cc[nH+]c2)cn1 ZINC000361355822 138031707 /nfs/dbraw/zinc/03/17/07/138031707.db2.gz JDORTZZJBQAVHH-UHFFFAOYSA-N 2 2 263.345 0.594 20 0 CCADLP C[NH+](C)C1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000361105184 138021668 /nfs/dbraw/zinc/02/16/68/138021668.db2.gz RJQXKBXFRQHYPR-UHFFFAOYSA-N 2 2 295.427 0.794 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(N)=O)nc2)CC[N@@H+]1C ZINC000361925160 138038462 /nfs/dbraw/zinc/03/84/62/138038462.db2.gz HSMULCRBZMQIHW-ZYHUDNBSSA-N 2 2 262.357 0.753 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(N)=O)nc2)CC[N@H+]1C ZINC000361925160 138038463 /nfs/dbraw/zinc/03/84/63/138038463.db2.gz HSMULCRBZMQIHW-ZYHUDNBSSA-N 2 2 262.357 0.753 20 0 CCADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCOCC2)C1 ZINC000362226972 138051302 /nfs/dbraw/zinc/05/13/02/138051302.db2.gz PNBKSDNRYZUPAY-LSDHHAIUSA-N 2 2 297.443 0.897 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCOCC2)C1 ZINC000362226972 138051303 /nfs/dbraw/zinc/05/13/03/138051303.db2.gz PNBKSDNRYZUPAY-LSDHHAIUSA-N 2 2 297.443 0.897 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000354293872 356384024 /nfs/dbraw/zinc/38/40/24/356384024.db2.gz BBEFKJNWZSLUAY-BYNSBNAKSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000354293872 356384026 /nfs/dbraw/zinc/38/40/26/356384026.db2.gz BBEFKJNWZSLUAY-BYNSBNAKSA-N 2 2 297.443 0.942 20 0 CCADLP COC(=O)COC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449399343 291097433 /nfs/dbraw/zinc/09/74/33/291097433.db2.gz ZYWQTMHVTWRJAO-OLZOCXBDSA-N 2 2 288.388 0.001 20 0 CCADLP COC(=O)COC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449399343 291097437 /nfs/dbraw/zinc/09/74/37/291097437.db2.gz ZYWQTMHVTWRJAO-OLZOCXBDSA-N 2 2 288.388 0.001 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H](O)CC2CCCC2)CC1 ZINC000354890475 356522553 /nfs/dbraw/zinc/52/25/53/356522553.db2.gz IXZRMELXIKKDTF-OAHLLOKOSA-N 2 2 297.443 0.633 20 0 CCADLP CC[C@@H](O)C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000354905491 356526561 /nfs/dbraw/zinc/52/65/61/356526561.db2.gz AASDPSZYMOJXGM-OAHLLOKOSA-N 2 2 285.432 0.144 20 0 CCADLP CC[C@@H](O)C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000354905491 356526562 /nfs/dbraw/zinc/52/65/62/356526562.db2.gz AASDPSZYMOJXGM-OAHLLOKOSA-N 2 2 285.432 0.144 20 0 CCADLP O=[S@@](CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000609193161 363478496 /nfs/dbraw/zinc/47/84/96/363478496.db2.gz OOXATWSNPHBQQP-JCGVRSQUSA-N 2 2 264.394 0.945 20 0 CCADLP O=[S@@](CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000609193161 363478503 /nfs/dbraw/zinc/47/85/03/363478503.db2.gz OOXATWSNPHBQQP-JCGVRSQUSA-N 2 2 264.394 0.945 20 0 CCADLP CCn1c(C)nnc1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000355114988 356580880 /nfs/dbraw/zinc/58/08/80/356580880.db2.gz VBRSNZXNTDCPFU-UHFFFAOYSA-N 2 2 281.404 0.936 20 0 CCADLP CC[C@@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)c1[nH]cc[nH+]1 ZINC000356118003 356706506 /nfs/dbraw/zinc/70/65/06/356706506.db2.gz DRWLCADGCAHQFP-GHMZBOCLSA-N 2 2 266.345 0.698 20 0 CCADLP CC[C@@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)c1[nH]cc[nH+]1 ZINC000356118003 356706508 /nfs/dbraw/zinc/70/65/08/356706508.db2.gz DRWLCADGCAHQFP-GHMZBOCLSA-N 2 2 266.345 0.698 20 0 CCADLP C[C@@H]1[N@H+](CC(=O)N2CC[NH+](C)CC2)CCOC1(C)C ZINC000357301996 356770349 /nfs/dbraw/zinc/77/03/49/356770349.db2.gz DIYPTAOVDBBXQM-LBPRGKRZSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@@H]1[N@@H+](CC(=O)N2CC[NH+](C)CC2)CCOC1(C)C ZINC000357301996 356770352 /nfs/dbraw/zinc/77/03/52/356770352.db2.gz DIYPTAOVDBBXQM-LBPRGKRZSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000357781145 356772306 /nfs/dbraw/zinc/77/23/06/356772306.db2.gz ODGUWRPHDJTLKD-STQMWFEESA-N 2 2 281.400 0.308 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000357781145 356772308 /nfs/dbraw/zinc/77/23/08/356772308.db2.gz ODGUWRPHDJTLKD-STQMWFEESA-N 2 2 281.400 0.308 20 0 CCADLP Cc1ccccc1CCNC(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359292371 356796019 /nfs/dbraw/zinc/79/60/19/356796019.db2.gz UIYUWYUUBFUDAW-HOTGVXAUSA-N 2 2 287.407 0.805 20 0 CCADLP C[C@H](C(=O)NCc1cccs1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359307275 356799255 /nfs/dbraw/zinc/79/92/55/356799255.db2.gz NEHANYMNCSMZMN-UTUOFQBUSA-N 2 2 279.409 0.904 20 0 CCADLP C[C@H](C(=O)NCc1cccs1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359307275 356799260 /nfs/dbraw/zinc/79/92/60/356799260.db2.gz NEHANYMNCSMZMN-UTUOFQBUSA-N 2 2 279.409 0.904 20 0 CCADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)NCC1(c2ccccc2)CC1 ZINC000359312403 356800224 /nfs/dbraw/zinc/80/02/24/356800224.db2.gz ACTMLGCQPIGDCU-GJZGRUSLSA-N 2 2 299.418 0.986 20 0 CCADLP COCC[N@H+](C)CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC000359396211 356814174 /nfs/dbraw/zinc/81/41/74/356814174.db2.gz XVIVHRAMQXQQAY-UHFFFAOYSA-N 2 2 284.360 0.044 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC000359396211 356814178 /nfs/dbraw/zinc/81/41/78/356814178.db2.gz XVIVHRAMQXQQAY-UHFFFAOYSA-N 2 2 284.360 0.044 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000359396764 356814299 /nfs/dbraw/zinc/81/42/99/356814299.db2.gz ZXAWVDLDGCGVDY-CYBMUJFWSA-N 2 2 296.415 0.197 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000359396764 356814304 /nfs/dbraw/zinc/81/43/04/356814304.db2.gz ZXAWVDLDGCGVDY-CYBMUJFWSA-N 2 2 296.415 0.197 20 0 CCADLP CC[C@](C)(OC)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000359665752 356867126 /nfs/dbraw/zinc/86/71/26/356867126.db2.gz UXOANMJUEWMFLC-HNNXBMFYSA-N 2 2 285.432 0.944 20 0 CCADLP CC(C)NC(=O)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655682418 412645403 /nfs/dbraw/zinc/64/54/03/412645403.db2.gz FBTIUGFSBRSYDD-ZDUSSCGKSA-N 2 2 269.389 0.354 20 0 CCADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000359763674 356887686 /nfs/dbraw/zinc/88/76/86/356887686.db2.gz OQYIWVKOTBCUIE-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000359563169 356844983 /nfs/dbraw/zinc/84/49/83/356844983.db2.gz CHDDAUAJTJBIQM-WDEREUQCSA-N 2 2 280.372 0.901 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000359563169 356844985 /nfs/dbraw/zinc/84/49/85/356844985.db2.gz CHDDAUAJTJBIQM-WDEREUQCSA-N 2 2 280.372 0.901 20 0 CCADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000359763674 356887690 /nfs/dbraw/zinc/88/76/90/356887690.db2.gz OQYIWVKOTBCUIE-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C(=O)OC)C3CC3)C2)CC1 ZINC000359601197 356855622 /nfs/dbraw/zinc/85/56/22/356855622.db2.gz SGJNKTXXPPKWJY-HUUCEWRRSA-N 2 2 295.427 0.650 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C(=O)OC)C3CC3)C2)CC1 ZINC000359601197 356855625 /nfs/dbraw/zinc/85/56/25/356855625.db2.gz SGJNKTXXPPKWJY-HUUCEWRRSA-N 2 2 295.427 0.650 20 0 CCADLP CCNC(=O)[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655682898 412646350 /nfs/dbraw/zinc/64/63/50/412646350.db2.gz MZBGSACKMPWWLP-WCQYABFASA-N 2 2 269.389 0.354 20 0 CCADLP COCCN(C)CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655707880 412647449 /nfs/dbraw/zinc/64/74/49/412647449.db2.gz GPLFXVQDSHNKCW-OAHLLOKOSA-N 2 2 285.432 0.408 20 0 CCADLP C[N@@H+]1CCCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000364004361 357077143 /nfs/dbraw/zinc/07/71/43/357077143.db2.gz WAFHJVIHHOHYCR-UHFFFAOYSA-N 2 2 277.372 0.455 20 0 CCADLP C[N@H+]1CCCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000364004361 357077144 /nfs/dbraw/zinc/07/71/44/357077144.db2.gz WAFHJVIHHOHYCR-UHFFFAOYSA-N 2 2 277.372 0.455 20 0 CCADLP CC(C)[C@@H](CO)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655722015 412652704 /nfs/dbraw/zinc/65/27/04/412652704.db2.gz UPPQGZIUAZSTQD-ZIAGYGMSSA-N 2 2 256.390 0.846 20 0 CCADLP CNS(=O)(=O)[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000371197619 357367380 /nfs/dbraw/zinc/36/73/80/357367380.db2.gz JTXAMIUTHGGLMY-CHWSQXEVSA-N 2 2 289.445 0.484 20 0 CCADLP CNS(=O)(=O)[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000371197619 357367382 /nfs/dbraw/zinc/36/73/82/357367382.db2.gz JTXAMIUTHGGLMY-CHWSQXEVSA-N 2 2 289.445 0.484 20 0 CCADLP CNS(=O)(=O)[C@@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000371197619 357367386 /nfs/dbraw/zinc/36/73/86/357367386.db2.gz JTXAMIUTHGGLMY-CHWSQXEVSA-N 2 2 289.445 0.484 20 0 CCADLP CNS(=O)(=O)[C@@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000371197619 357367388 /nfs/dbraw/zinc/36/73/88/357367388.db2.gz JTXAMIUTHGGLMY-CHWSQXEVSA-N 2 2 289.445 0.484 20 0 CCADLP CN(C(=O)[C@@H]1CCOC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377638328 357598716 /nfs/dbraw/zinc/59/87/16/357598716.db2.gz BPSKGXBJAOIRAS-UKRRQHHQSA-N 2 2 295.427 0.650 20 0 CCADLP CN(C(=O)[C@@H]1CCOC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377638328 357598717 /nfs/dbraw/zinc/59/87/17/357598717.db2.gz BPSKGXBJAOIRAS-UKRRQHHQSA-N 2 2 295.427 0.650 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378208368 357659416 /nfs/dbraw/zinc/65/94/16/357659416.db2.gz VYQRZDYHTQFEDB-SNVBAGLBSA-N 2 2 250.346 0.971 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378208368 357659422 /nfs/dbraw/zinc/65/94/22/357659422.db2.gz VYQRZDYHTQFEDB-SNVBAGLBSA-N 2 2 250.346 0.971 20 0 CCADLP CC(C)([NH3+])c1noc(C[NH+]2CCC(CCO)CC2)n1 ZINC000401019659 357796459 /nfs/dbraw/zinc/79/64/59/357796459.db2.gz KFXQLUCTMPJWAD-UHFFFAOYSA-N 2 2 268.361 0.858 20 0 CCADLP CC1(C)CCC[NH2+][C@H]1CNC(=O)NCC[NH+]1CCOCC1 ZINC000561087876 291116450 /nfs/dbraw/zinc/11/64/50/291116450.db2.gz XUPULMMUZCBGSR-ZDUSSCGKSA-N 2 2 298.431 0.396 20 0 CCADLP CC[NH+]1CCC(CNC(=O)NCc2[nH+]ccn2C)CC1 ZINC000561491766 291130131 /nfs/dbraw/zinc/13/01/31/291130131.db2.gz DTZLDNSMRDJEBF-UHFFFAOYSA-N 2 2 279.388 0.951 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000339067701 283323700 /nfs/dbraw/zinc/32/37/00/283323700.db2.gz CAGNAGVCLWAJDY-ZNMIVQPWSA-N 3 2 294.443 0.543 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000339067701 283323701 /nfs/dbraw/zinc/32/37/01/283323701.db2.gz CAGNAGVCLWAJDY-ZNMIVQPWSA-N 3 2 294.443 0.543 20 0 CCADLP NC(=O)[C@@H]1CCC[NH+]1CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339067701 283323702 /nfs/dbraw/zinc/32/37/02/283323702.db2.gz CAGNAGVCLWAJDY-ZNMIVQPWSA-N 3 2 294.443 0.543 20 0 CCADLP NC(=O)[C@@H]1CCC[NH+]1CCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339067701 283323703 /nfs/dbraw/zinc/32/37/03/283323703.db2.gz CAGNAGVCLWAJDY-ZNMIVQPWSA-N 3 2 294.443 0.543 20 0 CCADLP CNC(=O)C[C@@H](C)[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000346772204 283328950 /nfs/dbraw/zinc/32/89/50/283328950.db2.gz NXGDUPQUPPXWOW-CHWSQXEVSA-N 2 2 271.405 0.457 20 0 CCADLP CNC(=O)C[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000346772204 283328954 /nfs/dbraw/zinc/32/89/54/283328954.db2.gz NXGDUPQUPPXWOW-CHWSQXEVSA-N 2 2 271.405 0.457 20 0 CCADLP C[C@@H](C(=O)N(CC[NH+](C)C)C1CC1)[NH+]1CCOCC1 ZINC000412254811 358118570 /nfs/dbraw/zinc/11/85/70/358118570.db2.gz KDEZOONNHOSRKI-LBPRGKRZSA-N 2 2 269.389 0.260 20 0 CCADLP C[N@@H+](Cc1ccnn1-c1ccc(F)cc1)C[C@H](O)C[NH3+] ZINC000415067743 358124672 /nfs/dbraw/zinc/12/46/72/358124672.db2.gz LKRXFWKBIFPXLD-CQSZACIVSA-N 2 2 278.331 0.763 20 0 CCADLP C[N@H+](Cc1ccnn1-c1ccc(F)cc1)C[C@H](O)C[NH3+] ZINC000415067743 358124676 /nfs/dbraw/zinc/12/46/76/358124676.db2.gz LKRXFWKBIFPXLD-CQSZACIVSA-N 2 2 278.331 0.763 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417016711 358129889 /nfs/dbraw/zinc/12/98/89/358129889.db2.gz DBVZTGWRZCFPLR-TZMCWYRMSA-N 2 2 298.431 0.524 20 0 CCADLP CC[NH2+]CCNC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000417777404 358139970 /nfs/dbraw/zinc/13/99/70/358139970.db2.gz CODIVOKGZXYXQY-LLVKDONJSA-N 2 2 257.284 0.690 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000418373962 358153777 /nfs/dbraw/zinc/15/37/77/358153777.db2.gz VODPOTZRNPWGMK-ZIAGYGMSSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000418373958 358154295 /nfs/dbraw/zinc/15/42/95/358154295.db2.gz VODPOTZRNPWGMK-KBPBESRZSA-N 2 2 298.431 0.348 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000422749064 358192617 /nfs/dbraw/zinc/19/26/17/358192617.db2.gz XJTIRPRKJCIUHS-WCQYABFASA-N 2 2 267.373 0.108 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000422749064 358192622 /nfs/dbraw/zinc/19/26/22/358192622.db2.gz XJTIRPRKJCIUHS-WCQYABFASA-N 2 2 267.373 0.108 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC(C)(C)N1CCOCC1 ZINC000422755144 358192701 /nfs/dbraw/zinc/19/27/01/358192701.db2.gz KGZSAJMXNBASNP-STQMWFEESA-N 2 2 255.406 0.685 20 0 CCADLP C[NH2+]C[C@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000422804065 358193172 /nfs/dbraw/zinc/19/31/72/358193172.db2.gz HDHAZLXYGYOXRN-UKRRQHHQSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH2+]C[C@H]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000422804065 358193177 /nfs/dbraw/zinc/19/31/77/358193177.db2.gz HDHAZLXYGYOXRN-UKRRQHHQSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000423022339 358196215 /nfs/dbraw/zinc/19/62/15/358196215.db2.gz DZVAFSSJVUNJSH-MRVWCRGKSA-N 2 2 253.390 0.437 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000423022339 358196220 /nfs/dbraw/zinc/19/62/20/358196220.db2.gz DZVAFSSJVUNJSH-MRVWCRGKSA-N 2 2 253.390 0.437 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CN(C2CC2)CCO1 ZINC000423022339 358196225 /nfs/dbraw/zinc/19/62/25/358196225.db2.gz DZVAFSSJVUNJSH-MRVWCRGKSA-N 2 2 253.390 0.437 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2ccco2)C1 ZINC000105475625 283348131 /nfs/dbraw/zinc/34/81/31/283348131.db2.gz ITGISGQVYOUDHA-LBPRGKRZSA-N 2 2 265.357 0.957 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2ccco2)C1 ZINC000105475625 283348136 /nfs/dbraw/zinc/34/81/36/283348136.db2.gz ITGISGQVYOUDHA-LBPRGKRZSA-N 2 2 265.357 0.957 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC[C@@H]2CCCO2)C1 ZINC000430948202 358229515 /nfs/dbraw/zinc/22/95/15/358229515.db2.gz HKCNZYNGJXQLGD-AVGNSLFASA-N 2 2 269.389 0.211 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC[C@@H]2CCCO2)C1 ZINC000430948202 358229517 /nfs/dbraw/zinc/22/95/17/358229517.db2.gz HKCNZYNGJXQLGD-AVGNSLFASA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)[C@@H](C)O1 ZINC000449120002 358251699 /nfs/dbraw/zinc/25/16/99/358251699.db2.gz BQGHBHOLWFTQPU-FVCCEPFGSA-N 2 2 269.389 0.482 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)[C@@H](C)O1 ZINC000449120002 358251702 /nfs/dbraw/zinc/25/17/02/358251702.db2.gz BQGHBHOLWFTQPU-FVCCEPFGSA-N 2 2 269.389 0.482 20 0 CCADLP CC[NH+](CC)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000562294504 291142872 /nfs/dbraw/zinc/14/28/72/291142872.db2.gz RGMUSYUFNXMAAD-NSHDSACASA-N 2 2 252.362 0.809 20 0 CCADLP Cc1ncc(/C=C\C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])s1 ZINC000493361188 358307381 /nfs/dbraw/zinc/30/73/81/358307381.db2.gz WTIKUOAFVHELET-BYCRGOAPSA-N 2 2 280.397 0.566 20 0 CCADLP Cc1ncc(/C=C\C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])s1 ZINC000493361188 358307383 /nfs/dbraw/zinc/30/73/83/358307383.db2.gz WTIKUOAFVHELET-BYCRGOAPSA-N 2 2 280.397 0.566 20 0 CCADLP NC(=O)[C@H]1c2ccccc2CC[N@H+]1CCn1cc[nH+]c1 ZINC000372318023 283361453 /nfs/dbraw/zinc/36/14/53/283361453.db2.gz CEGAPFCFOCYTDD-CQSZACIVSA-N 2 2 270.336 0.968 20 0 CCADLP NC(=O)[C@H]1c2ccccc2CC[N@@H+]1CCn1cc[nH+]c1 ZINC000372318023 283361454 /nfs/dbraw/zinc/36/14/54/283361454.db2.gz CEGAPFCFOCYTDD-CQSZACIVSA-N 2 2 270.336 0.968 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC2(COC(=O)N2)CC1)C1CC1 ZINC000496685621 358326188 /nfs/dbraw/zinc/32/61/88/358326188.db2.gz WRYIGWDTMMNLNW-LBPRGKRZSA-N 2 2 283.372 0.016 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC2(COC(=O)N2)CC1)C1CC1 ZINC000496685621 358326193 /nfs/dbraw/zinc/32/61/93/358326193.db2.gz WRYIGWDTMMNLNW-LBPRGKRZSA-N 2 2 283.372 0.016 20 0 CCADLP CSC[C@@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000518498044 358343916 /nfs/dbraw/zinc/34/39/16/358343916.db2.gz GODZXQMTTSRSFS-NXEZZACHSA-N 2 2 260.407 0.022 20 0 CCADLP CSC[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000518498044 358343920 /nfs/dbraw/zinc/34/39/20/358343920.db2.gz GODZXQMTTSRSFS-NXEZZACHSA-N 2 2 260.407 0.022 20 0 CCADLP C[C@@H](c1nnnn1C)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530239156 358384589 /nfs/dbraw/zinc/38/45/89/358384589.db2.gz DNVIBHWBOCTLSQ-WCQYABFASA-N 2 2 294.403 0.362 20 0 CCADLP Cc1nc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)no1 ZINC000530240811 358384691 /nfs/dbraw/zinc/38/46/91/358384691.db2.gz OCUZNZJABCIFHH-CYBMUJFWSA-N 2 2 280.372 0.969 20 0 CCADLP O[C@@H](CNC[C@H]1CC[N@@H+]1C1CCCC1)C[NH+]1CCOCC1 ZINC000530241933 358385292 /nfs/dbraw/zinc/38/52/92/358385292.db2.gz FJADPHUVTJOQHV-CVEARBPZSA-N 2 2 297.443 0.286 20 0 CCADLP O[C@@H](CNC[C@H]1CC[N@H+]1C1CCCC1)C[NH+]1CCOCC1 ZINC000530241933 358385294 /nfs/dbraw/zinc/38/52/94/358385294.db2.gz FJADPHUVTJOQHV-CVEARBPZSA-N 2 2 297.443 0.286 20 0 CCADLP CCCNC(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374322419 283370199 /nfs/dbraw/zinc/37/01/99/283370199.db2.gz CWPNDVQENKOMQC-HUUCEWRRSA-N 2 2 296.459 0.470 20 0 CCADLP CCCNC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374322419 283370203 /nfs/dbraw/zinc/37/02/03/283370203.db2.gz CWPNDVQENKOMQC-HUUCEWRRSA-N 2 2 296.459 0.470 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000562454221 291152979 /nfs/dbraw/zinc/15/29/79/291152979.db2.gz FCJCAGXOHGNZKP-VXGBXAGGSA-N 2 2 273.340 0.847 20 0 CCADLP Cc1ccccc1[C@H]([NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000294904029 199239955 /nfs/dbraw/zinc/23/99/55/199239955.db2.gz ZNZDMJHOBVMUTR-AWEZNQCLSA-N 2 2 277.368 0.443 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000533563055 358543416 /nfs/dbraw/zinc/54/34/16/358543416.db2.gz GBLYABZIGHLEBR-CQSZACIVSA-N 2 2 262.357 0.965 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000533563055 358543419 /nfs/dbraw/zinc/54/34/19/358543419.db2.gz GBLYABZIGHLEBR-CQSZACIVSA-N 2 2 262.357 0.965 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)C1 ZINC000565549042 358562784 /nfs/dbraw/zinc/56/27/84/358562784.db2.gz MHCABJRIDDESKC-ILXRZTDVSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)C1 ZINC000565549042 358562788 /nfs/dbraw/zinc/56/27/88/358562788.db2.gz MHCABJRIDDESKC-ILXRZTDVSA-N 2 2 295.427 0.650 20 0 CCADLP COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1CCCc1c[nH+]cn1C ZINC000565547502 358562865 /nfs/dbraw/zinc/56/28/65/358562865.db2.gz BPUOWFPPGQBIGL-STQMWFEESA-N 2 2 281.356 0.615 20 0 CCADLP COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000565547502 358562868 /nfs/dbraw/zinc/56/28/68/358562868.db2.gz BPUOWFPPGQBIGL-STQMWFEESA-N 2 2 281.356 0.615 20 0 CCADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)C(=O)NCC(F)(F)F ZINC000567891108 358606819 /nfs/dbraw/zinc/60/68/19/358606819.db2.gz DBPDHXLIKAIPNC-SSDOTTSWSA-N 2 2 253.268 0.524 20 0 CCADLP C[C@@](O)(C[NH2+]C[C@@H](O)C[NH+]1CCCC1)C(F)(F)F ZINC000567898773 358610002 /nfs/dbraw/zinc/61/00/02/358610002.db2.gz AYMCVMSLJAGLQN-NXEZZACHSA-N 2 2 270.295 0.346 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(F)(F)[C@@H](C)C1 ZINC000568176021 358640432 /nfs/dbraw/zinc/64/04/32/358640432.db2.gz OCWUWIMOXARWRR-RYUDHWBXSA-N 2 2 280.359 0.903 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(F)(F)[C@@H](C)C1 ZINC000568176021 358640435 /nfs/dbraw/zinc/64/04/35/358640435.db2.gz OCWUWIMOXARWRR-RYUDHWBXSA-N 2 2 280.359 0.903 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000568176021 358640444 /nfs/dbraw/zinc/64/04/44/358640444.db2.gz OCWUWIMOXARWRR-RYUDHWBXSA-N 2 2 280.359 0.903 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)COC1CCC([NH3+])CC1 ZINC000567801910 358587989 /nfs/dbraw/zinc/58/79/89/358587989.db2.gz AJYIALKVBXSMTP-IYXRBSQSSA-N 2 2 299.415 0.110 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)COC1CCC([NH3+])CC1 ZINC000567801910 358587993 /nfs/dbraw/zinc/58/79/93/358587993.db2.gz AJYIALKVBXSMTP-IYXRBSQSSA-N 2 2 299.415 0.110 20 0 CCADLP COCC[N@@H+]1CCCN(C(=O)[C@H]([NH3+])c2cscn2)CC1 ZINC000567811376 358589774 /nfs/dbraw/zinc/58/97/74/358589774.db2.gz ASNKZALGDQHBGW-GFCCVEGCSA-N 2 2 298.412 0.324 20 0 CCADLP COCC[N@H+]1CCCN(C(=O)[C@H]([NH3+])c2cscn2)CC1 ZINC000567811376 358589775 /nfs/dbraw/zinc/58/97/75/358589775.db2.gz ASNKZALGDQHBGW-GFCCVEGCSA-N 2 2 298.412 0.324 20 0 CCADLP C[C@H](O)CNc1cc(NC[C@@H]2CCC[N@H+](C)C2)nc[nH+]1 ZINC000568217088 358650623 /nfs/dbraw/zinc/65/06/23/358650623.db2.gz WLNACHBFOOEOHH-RYUDHWBXSA-N 2 2 279.388 0.445 20 0 CCADLP C[C@H](O)CNc1cc(NC[C@@H]2CCC[N@@H+](C)C2)nc[nH+]1 ZINC000568217088 358650624 /nfs/dbraw/zinc/65/06/24/358650624.db2.gz WLNACHBFOOEOHH-RYUDHWBXSA-N 2 2 279.388 0.445 20 0 CCADLP C[C@H](O)CNc1cc(NC[C@@H]2CCC[N@H+](C)C2)[nH+]cn1 ZINC000568217088 358650625 /nfs/dbraw/zinc/65/06/25/358650625.db2.gz WLNACHBFOOEOHH-RYUDHWBXSA-N 2 2 279.388 0.445 20 0 CCADLP C[C@H](O)CNc1cc(NC[C@@H]2CCC[N@@H+](C)C2)[nH+]cn1 ZINC000568217088 358650626 /nfs/dbraw/zinc/65/06/26/358650626.db2.gz WLNACHBFOOEOHH-RYUDHWBXSA-N 2 2 279.388 0.445 20 0 CCADLP COc1cc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)ccn1 ZINC000568236911 358654942 /nfs/dbraw/zinc/65/49/42/358654942.db2.gz YORPKLBVRFPQLW-BXUZGUMPSA-N 2 2 265.357 0.807 20 0 CCADLP Cc1nc(N)c(CNC(=O)C[N@H+](C)C(C)C)c[nH+]1 ZINC000568318129 358665556 /nfs/dbraw/zinc/66/55/56/358665556.db2.gz YEZOKAYEQWLINU-UHFFFAOYSA-N 2 2 251.334 0.154 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CC[NH2+][C@H]1C)Cn1cc[nH+]c1 ZINC000568395553 358671235 /nfs/dbraw/zinc/67/12/35/358671235.db2.gz OHGFTGKLFIDTLZ-WOPDTQHZSA-N 2 2 250.346 0.633 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CCS(=O)(=O)NC(C)(C)C)n1C ZINC000568654652 358695503 /nfs/dbraw/zinc/69/55/03/358695503.db2.gz USHXTZXLPREQKM-UHFFFAOYSA-N 2 2 288.417 0.536 20 0 CCADLP C[NH2+][C@@H](C)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000569378043 358760540 /nfs/dbraw/zinc/76/05/40/358760540.db2.gz FGHYHPOOPUCSRY-JTQLQIEISA-N 2 2 263.345 0.042 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]C[C@@H](O)Cc1cccc(F)c1)C1CC1 ZINC000568983444 358721805 /nfs/dbraw/zinc/72/18/05/358721805.db2.gz JSIZWFCFYALCTF-JKSUJKDBSA-N 2 2 296.386 0.774 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H](O)Cc1cccc(F)c1)C1CC1 ZINC000568983444 358721808 /nfs/dbraw/zinc/72/18/08/358721808.db2.gz JSIZWFCFYALCTF-JKSUJKDBSA-N 2 2 296.386 0.774 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000569109418 358733977 /nfs/dbraw/zinc/73/39/77/358733977.db2.gz ZNHFDRUQCLESMN-YPMHNXCESA-N 3 2 252.362 0.560 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000569109418 358733980 /nfs/dbraw/zinc/73/39/80/358733980.db2.gz ZNHFDRUQCLESMN-YPMHNXCESA-N 3 2 252.362 0.560 20 0 CCADLP Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H](O)C[NH+](C)C ZINC000570044240 358816863 /nfs/dbraw/zinc/81/68/63/358816863.db2.gz CDPARMXBAIRGBT-ZIAGYGMSSA-N 2 2 282.384 0.247 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000569605553 358779098 /nfs/dbraw/zinc/77/90/98/358779098.db2.gz MKQWXKZDFFWKAU-TUAOUCFPSA-N 2 2 296.392 0.691 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000569694437 358785916 /nfs/dbraw/zinc/78/59/16/358785916.db2.gz TXLURKJXOQUQHQ-QWRGUYRKSA-N 2 2 270.377 0.280 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000569694437 358785919 /nfs/dbraw/zinc/78/59/19/358785919.db2.gz TXLURKJXOQUQHQ-QWRGUYRKSA-N 2 2 270.377 0.280 20 0 CCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000569707757 358786812 /nfs/dbraw/zinc/78/68/12/358786812.db2.gz LBBGNMCEZLFIOY-KBPBESRZSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]([NH3+])C1CCC1)Cn1cc[nH+]c1 ZINC000570164734 358829648 /nfs/dbraw/zinc/82/96/48/358829648.db2.gz ILMJPVOIKPPFHQ-JQWIXIFHSA-N 2 2 250.346 0.763 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000570211445 358834356 /nfs/dbraw/zinc/83/43/56/358834356.db2.gz DQQPDCVSKDQPFF-HNNXBMFYSA-N 2 2 266.385 0.494 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000570211445 358834360 /nfs/dbraw/zinc/83/43/60/358834360.db2.gz DQQPDCVSKDQPFF-HNNXBMFYSA-N 2 2 266.385 0.494 20 0 CCADLP COc1ccccc1[C@@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000570320503 358845013 /nfs/dbraw/zinc/84/50/13/358845013.db2.gz OARFUIFIQCEVPP-UKRRQHHQSA-N 2 2 294.395 0.773 20 0 CCADLP COc1ccccc1[C@@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000570320503 358845017 /nfs/dbraw/zinc/84/50/17/358845017.db2.gz OARFUIFIQCEVPP-UKRRQHHQSA-N 2 2 294.395 0.773 20 0 CCADLP CCO[C@@H]1CCC[C@H]1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000570383235 358850629 /nfs/dbraw/zinc/85/06/29/358850629.db2.gz KAIQOBYQCHHFIL-JHJVBQTASA-N 2 2 284.404 0.228 20 0 CCADLP CCO[C@@H]1CCC[C@H]1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000570383235 358850632 /nfs/dbraw/zinc/85/06/32/358850632.db2.gz KAIQOBYQCHHFIL-JHJVBQTASA-N 2 2 284.404 0.228 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)NCc2c[nH+]cn2C)CCO1 ZINC000571014939 358904113 /nfs/dbraw/zinc/90/41/13/358904113.db2.gz URWMUTURIUFCPO-CYBMUJFWSA-N 2 2 295.387 0.330 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCc2c[nH+]cn2C)CCO1 ZINC000571014939 358904120 /nfs/dbraw/zinc/90/41/20/358904120.db2.gz URWMUTURIUFCPO-CYBMUJFWSA-N 2 2 295.387 0.330 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000571178032 358919799 /nfs/dbraw/zinc/91/97/99/358919799.db2.gz XFXIZDABMLRKEU-UHFFFAOYSA-N 2 2 250.346 0.744 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000571178032 358919804 /nfs/dbraw/zinc/91/98/04/358919804.db2.gz XFXIZDABMLRKEU-UHFFFAOYSA-N 2 2 250.346 0.744 20 0 CCADLP CCC1(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CCOCC1 ZINC000562805512 291167994 /nfs/dbraw/zinc/16/79/94/291167994.db2.gz WOFXCWRZGVJGBL-ZDUSSCGKSA-N 2 2 298.431 0.478 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC2CCSCC2)[C@@H](C[NH3+])C1 ZINC000562809725 291168693 /nfs/dbraw/zinc/16/86/93/291168693.db2.gz UWSMQUWVSXVVMI-LBPRGKRZSA-N 2 2 286.445 0.414 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC2CCSCC2)[C@@H](C[NH3+])C1 ZINC000562809725 291168694 /nfs/dbraw/zinc/16/86/94/291168694.db2.gz UWSMQUWVSXVVMI-LBPRGKRZSA-N 2 2 286.445 0.414 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000573813825 359002752 /nfs/dbraw/zinc/00/27/52/359002752.db2.gz KELIOBFNAQJGPZ-PWSUYJOCSA-N 2 2 250.346 0.799 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000573813825 359002757 /nfs/dbraw/zinc/00/27/57/359002757.db2.gz KELIOBFNAQJGPZ-PWSUYJOCSA-N 2 2 250.346 0.799 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000573813825 359002763 /nfs/dbraw/zinc/00/27/63/359002763.db2.gz KELIOBFNAQJGPZ-PWSUYJOCSA-N 2 2 250.346 0.799 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000573813825 359002766 /nfs/dbraw/zinc/00/27/66/359002766.db2.gz KELIOBFNAQJGPZ-PWSUYJOCSA-N 2 2 250.346 0.799 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000573813823 359002990 /nfs/dbraw/zinc/00/29/90/359002990.db2.gz KELIOBFNAQJGPZ-CMPLNLGQSA-N 2 2 250.346 0.799 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000573813823 359002993 /nfs/dbraw/zinc/00/29/93/359002993.db2.gz KELIOBFNAQJGPZ-CMPLNLGQSA-N 2 2 250.346 0.799 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000573813823 359002996 /nfs/dbraw/zinc/00/29/96/359002996.db2.gz KELIOBFNAQJGPZ-CMPLNLGQSA-N 2 2 250.346 0.799 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000573813823 359002999 /nfs/dbraw/zinc/00/29/99/359002999.db2.gz KELIOBFNAQJGPZ-CMPLNLGQSA-N 2 2 250.346 0.799 20 0 CCADLP CC(C)(CNC(=O)NCC[C@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000562794308 291167501 /nfs/dbraw/zinc/16/75/01/291167501.db2.gz IXRJNECCDXRICO-CYBMUJFWSA-N 2 2 298.431 0.396 20 0 CCADLP CC(=O)[C@@](C)(O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000573859802 359006605 /nfs/dbraw/zinc/00/66/05/359006605.db2.gz CQQKVMWSFUJTAL-YPMHNXCESA-N 2 2 251.330 0.549 20 0 CCADLP CC(=O)[C@@](C)(O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000573859802 359006607 /nfs/dbraw/zinc/00/66/07/359006607.db2.gz CQQKVMWSFUJTAL-YPMHNXCESA-N 2 2 251.330 0.549 20 0 CCADLP Cc1[nH+]ccn1CCCCNC(=O)Cn1cc[nH+]c1 ZINC000580506650 359083338 /nfs/dbraw/zinc/08/33/38/359083338.db2.gz JTLCEGFJFOZGPZ-UHFFFAOYSA-N 2 2 261.329 0.985 20 0 CCADLP C[C@@H]1CCC[C@H]1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000580882065 359104075 /nfs/dbraw/zinc/10/40/75/359104075.db2.gz AWFGUIIHIKVMFA-IJLUTSLNSA-N 2 2 254.378 0.459 20 0 CCADLP C[C@@H]1CCC[C@H]1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000580882065 359104079 /nfs/dbraw/zinc/10/40/79/359104079.db2.gz AWFGUIIHIKVMFA-IJLUTSLNSA-N 2 2 254.378 0.459 20 0 CCADLP Cc1ccc([C@H]([NH3+])C(=O)NCC[N@@H+]2CCO[C@H](C)C2)cc1 ZINC000580894565 359106079 /nfs/dbraw/zinc/10/60/79/359106079.db2.gz GENUUKPKNLNOCW-HIFRSBDPSA-N 2 2 291.395 0.832 20 0 CCADLP Cc1ccc([C@H]([NH3+])C(=O)NCC[N@H+]2CCO[C@H](C)C2)cc1 ZINC000580894565 359106081 /nfs/dbraw/zinc/10/60/81/359106081.db2.gz GENUUKPKNLNOCW-HIFRSBDPSA-N 2 2 291.395 0.832 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](CO)c1sccc1C ZINC000579849170 359055162 /nfs/dbraw/zinc/05/51/62/359055162.db2.gz MGJRGGLCJNHAJM-VXGBXAGGSA-N 2 2 272.414 0.992 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](CO)c1sccc1C ZINC000579849170 359055167 /nfs/dbraw/zinc/05/51/67/359055167.db2.gz MGJRGGLCJNHAJM-VXGBXAGGSA-N 2 2 272.414 0.992 20 0 CCADLP C[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)[C@H]1CCCC[NH2+]1 ZINC000582354512 359137579 /nfs/dbraw/zinc/13/75/79/359137579.db2.gz WNFOZMZNPMKSIW-NWDGAFQWSA-N 2 2 291.461 0.825 20 0 CCADLP [NH3+]CC[N@H+](CCO)CCCn1c(=O)[nH]c2ccccc21 ZINC000582421017 359146628 /nfs/dbraw/zinc/14/66/28/359146628.db2.gz SGZHEOBSEQUUDC-UHFFFAOYSA-N 2 2 278.356 0.385 20 0 CCADLP [NH3+]CC[N@@H+](CCO)CCCn1c(=O)[nH]c2ccccc21 ZINC000582421017 359146633 /nfs/dbraw/zinc/14/66/33/359146633.db2.gz SGZHEOBSEQUUDC-UHFFFAOYSA-N 2 2 278.356 0.385 20 0 CCADLP CSC[C@@H](O)C[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000562994068 291179149 /nfs/dbraw/zinc/17/91/49/291179149.db2.gz UQVSGYKEURFLFC-NEPJUHHUSA-N 2 2 262.419 0.268 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)[C@H](C)O ZINC000563012267 291181321 /nfs/dbraw/zinc/18/13/21/291181321.db2.gz VTXSGKINEGUNFU-GRYCIOLGSA-N 2 2 280.372 0.270 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCc3c[nH]nc3C2)n1C ZINC000563021945 291182294 /nfs/dbraw/zinc/18/22/94/291182294.db2.gz DORBDZLFUAYNKT-NSHDSACASA-N 2 2 274.372 0.856 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000591571622 359600930 /nfs/dbraw/zinc/60/09/30/359600930.db2.gz RYDZFZCCERTHHS-CYBMUJFWSA-N 2 2 284.404 0.054 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000591571622 359600932 /nfs/dbraw/zinc/60/09/32/359600932.db2.gz RYDZFZCCERTHHS-CYBMUJFWSA-N 2 2 284.404 0.054 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000296938932 200040226 /nfs/dbraw/zinc/04/02/26/200040226.db2.gz AIPKRIWQKCIXEG-ZDUSSCGKSA-N 2 2 280.372 0.107 20 0 CCADLP CCOC(=O)CC[C@@H](O)C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000591733980 359650008 /nfs/dbraw/zinc/65/00/08/359650008.db2.gz RTQWTMBBKIMDPH-VXGBXAGGSA-N 2 2 258.362 0.374 20 0 CCADLP CCOC(=O)CC[C@@H](O)C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000591733980 359650011 /nfs/dbraw/zinc/65/00/11/359650011.db2.gz RTQWTMBBKIMDPH-VXGBXAGGSA-N 2 2 258.362 0.374 20 0 CCADLP O=C1CNC(=O)N1CCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591869396 359669978 /nfs/dbraw/zinc/66/99/78/359669978.db2.gz UBVBTSNBORNVCA-GFCCVEGCSA-N 2 2 291.355 0.462 20 0 CCADLP O=C1CNC(=O)N1CCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591869396 359669984 /nfs/dbraw/zinc/66/99/84/359669984.db2.gz UBVBTSNBORNVCA-GFCCVEGCSA-N 2 2 291.355 0.462 20 0 CCADLP [NH3+]C[C@@H](NC(=O)NCCNc1cccc[nH+]1)C(F)(F)F ZINC000655913963 412689703 /nfs/dbraw/zinc/68/97/03/412689703.db2.gz WTKZAQDJNGZLFU-MRVPVSSYSA-N 2 2 291.277 0.682 20 0 CCADLP C[NH+](C)C/C=C/C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000492862036 237324354 /nfs/dbraw/zinc/32/43/54/237324354.db2.gz IGOQYCYXLMCHCD-WWKJKZQJSA-N 2 2 267.373 0.036 20 0 CCADLP C[NH+](C)C/C=C/C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000492862036 237324363 /nfs/dbraw/zinc/32/43/63/237324363.db2.gz IGOQYCYXLMCHCD-WWKJKZQJSA-N 2 2 267.373 0.036 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000563119448 291196008 /nfs/dbraw/zinc/19/60/08/291196008.db2.gz WCRRZSVYEKPCMN-VIFPVBQESA-N 2 2 260.301 0.129 20 0 CCADLP O=c1[n-]c(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)n[nH]1 ZINC000329338042 202290201 /nfs/dbraw/zinc/29/02/01/202290201.db2.gz YMMYLCRKBATOEX-UHFFFAOYSA-N 2 2 295.387 0.445 20 0 CCADLP COCC[N@@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000592094851 359754175 /nfs/dbraw/zinc/75/41/75/359754175.db2.gz JAISEMMBDBHDCJ-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP COCC[N@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000592094851 359754179 /nfs/dbraw/zinc/75/41/79/359754179.db2.gz JAISEMMBDBHDCJ-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP Nc1ccc(NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)c[nH+]1 ZINC000563141807 291198398 /nfs/dbraw/zinc/19/83/98/291198398.db2.gz IKYZMWCNPRLYNA-SNVBAGLBSA-N 2 2 287.327 0.090 20 0 CCADLP CC(C)[C@H](C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[NH+](C)C ZINC000592433725 359839637 /nfs/dbraw/zinc/83/96/37/359839637.db2.gz PRTMDVOCSUZESR-LSDHHAIUSA-N 2 2 297.443 0.896 20 0 CCADLP CCOC(=O)CCCC[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000592475451 359851099 /nfs/dbraw/zinc/85/10/99/359851099.db2.gz KGFLXYNIXSQQMI-VXGBXAGGSA-N 2 2 258.362 0.768 20 0 CCADLP CCOC(=O)CCCC[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000592475451 359851104 /nfs/dbraw/zinc/85/11/04/359851104.db2.gz KGFLXYNIXSQQMI-VXGBXAGGSA-N 2 2 258.362 0.768 20 0 CCADLP CC1([NH3+])CC[NH+](CC(=O)NC(=O)NC2CCCC2)CC1 ZINC000592485758 359853874 /nfs/dbraw/zinc/85/38/74/359853874.db2.gz YAUAGANFRYEGNA-UHFFFAOYSA-N 2 2 282.388 0.568 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)C[C@H]1C ZINC000592565935 359892094 /nfs/dbraw/zinc/89/20/94/359892094.db2.gz DEMWQIBUCCFAPJ-YPMHNXCESA-N 2 2 297.399 0.080 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)C[C@H]1C ZINC000592565935 359892096 /nfs/dbraw/zinc/89/20/96/359892096.db2.gz DEMWQIBUCCFAPJ-YPMHNXCESA-N 2 2 297.399 0.080 20 0 CCADLP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000594943212 360422826 /nfs/dbraw/zinc/42/28/26/360422826.db2.gz AZOYLVGRZDZHAB-ADEWGFFLSA-N 2 2 251.330 0.750 20 0 CCADLP COC(=O)CCN1CC[C@@H]([NH+]2CCC([NH+](C)C)CC2)C1=O ZINC000595297119 360486630 /nfs/dbraw/zinc/48/66/30/360486630.db2.gz JZQDTUJVVCYDCA-CYBMUJFWSA-N 2 2 297.399 0.176 20 0 CCADLP Cc1c[nH+]c(C)nc1NCCCC[NH+]1CCN(C)CC1 ZINC000563419994 291227108 /nfs/dbraw/zinc/22/71/08/291227108.db2.gz HRCGJPYROUFUTB-UHFFFAOYSA-N 2 2 277.416 0.955 20 0 CCADLP C[C@@H]([NH3+])CC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000423864439 296016254 /nfs/dbraw/zinc/01/62/54/296016254.db2.gz JNODCOPSXGFXRT-YPMHNXCESA-N 2 2 269.389 0.293 20 0 CCADLP C[C@@H]([NH3+])CC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000423864439 296016256 /nfs/dbraw/zinc/01/62/56/296016256.db2.gz JNODCOPSXGFXRT-YPMHNXCESA-N 2 2 269.389 0.293 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595507481 360555001 /nfs/dbraw/zinc/55/50/01/360555001.db2.gz OJWBBGYTGQEZJN-RISCZKNCSA-N 2 2 282.388 0.248 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595507481 360555004 /nfs/dbraw/zinc/55/50/04/360555004.db2.gz OJWBBGYTGQEZJN-RISCZKNCSA-N 2 2 282.388 0.248 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595507481 360555008 /nfs/dbraw/zinc/55/50/08/360555008.db2.gz OJWBBGYTGQEZJN-RISCZKNCSA-N 2 2 282.388 0.248 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595507481 360555010 /nfs/dbraw/zinc/55/50/10/360555010.db2.gz OJWBBGYTGQEZJN-RISCZKNCSA-N 2 2 282.388 0.248 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)n1C ZINC000563441142 291230212 /nfs/dbraw/zinc/23/02/12/291230212.db2.gz VUYKGNNKYDQUFV-WCQYABFASA-N 2 2 269.389 0.976 20 0 CCADLP C[NH+](C)C[C@](C)(O)CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000684834624 545747836 /nfs/dbraw/zinc/74/78/36/545747836.db2.gz BNVAHWFEBVSJHI-CYBMUJFWSA-N 2 2 268.361 0.116 20 0 CCADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[C@H]([NH3+])C1 ZINC000178269517 189101855 /nfs/dbraw/zinc/10/18/55/189101855.db2.gz XEUIRGSQCOZMIC-NSHDSACASA-N 2 2 258.325 0.904 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H]2CCN(CCC(=O)OC)C2=O)C1 ZINC000595892373 360692551 /nfs/dbraw/zinc/69/25/51/360692551.db2.gz MYPAALSGORGMMO-OLZOCXBDSA-N 2 2 297.399 0.082 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H]2CCN(CCC(=O)OC)C2=O)C1 ZINC000595892373 360692554 /nfs/dbraw/zinc/69/25/54/360692554.db2.gz MYPAALSGORGMMO-OLZOCXBDSA-N 2 2 297.399 0.082 20 0 CCADLP [NH3+]C[C@@H]1CCN(C(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000178516535 189123455 /nfs/dbraw/zinc/12/34/55/189123455.db2.gz XSOSVMBTMGQNIH-NSHDSACASA-N 2 2 258.325 0.684 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000595932042 360710246 /nfs/dbraw/zinc/71/02/46/360710246.db2.gz MIPAGDDHWXUWQA-RYUDHWBXSA-N 2 2 285.388 0.080 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000595932042 360710249 /nfs/dbraw/zinc/71/02/49/360710249.db2.gz MIPAGDDHWXUWQA-RYUDHWBXSA-N 2 2 285.388 0.080 20 0 CCADLP CC[C@H]([NH3+])C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000178722744 189140587 /nfs/dbraw/zinc/14/05/87/189140587.db2.gz MWRAEXAZQDZMIS-NSHDSACASA-N 2 2 259.313 0.621 20 0 CCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)c1ccc(C[NH3+])cc1 ZINC000178881777 189151950 /nfs/dbraw/zinc/15/19/50/189151950.db2.gz UHTONTROOMDCOE-ZDUSSCGKSA-N 2 2 290.411 0.511 20 0 CCADLP COC(=O)Cc1cc[nH+]c(NC[C@@](C)(O)C[NH+](C)C)c1 ZINC000596173068 360822552 /nfs/dbraw/zinc/82/25/52/360822552.db2.gz PWDDDCAQYPFNFU-CQSZACIVSA-N 2 2 281.356 0.522 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H](C2CC2)C2CCC2)[C@@H](C[NH3+])C1 ZINC000563606942 291241113 /nfs/dbraw/zinc/24/11/13/291241113.db2.gz YWRCFVDWOACFRU-UONOGXRCSA-N 2 2 280.416 0.849 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H](C2CC2)C2CCC2)[C@@H](C[NH3+])C1 ZINC000563606942 291241114 /nfs/dbraw/zinc/24/11/14/291241114.db2.gz YWRCFVDWOACFRU-UONOGXRCSA-N 2 2 280.416 0.849 20 0 CCADLP C[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)[C@@H]1CCCC[NH2+]1 ZINC000333758459 299318936 /nfs/dbraw/zinc/31/89/36/299318936.db2.gz AENOVBMZJNCDGC-XQQFMLRXSA-N 2 2 289.445 0.531 20 0 CCADLP CCN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000631820692 370685431 /nfs/dbraw/zinc/68/54/31/370685431.db2.gz DIGGHHZWNWPWGN-SECBINFHSA-N 2 2 267.295 0.678 20 0 CCADLP CCN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000631820692 370685437 /nfs/dbraw/zinc/68/54/37/370685437.db2.gz DIGGHHZWNWPWGN-SECBINFHSA-N 2 2 267.295 0.678 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccccn1 ZINC000631827369 370692626 /nfs/dbraw/zinc/69/26/26/370692626.db2.gz NBQLZQBKYVXHRA-GYSYKLTISA-N 2 2 262.357 0.996 20 0 CCADLP CN(C)c1cc[nH+]c(N2CC[C@H]([NH+]3CC=CC3)C2)n1 ZINC000301740641 201170107 /nfs/dbraw/zinc/17/01/07/201170107.db2.gz DQCBMEJACZSWNL-LBPRGKRZSA-N 2 2 259.357 0.993 20 0 CCADLP C[NH+](C)C[C@@](C)(O)CNc1nc(N)c2ccccc2[nH+]1 ZINC000301883850 201247118 /nfs/dbraw/zinc/24/71/18/201247118.db2.gz JETMIYVBTKSUAJ-AWEZNQCLSA-N 2 2 275.356 0.937 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CC(=O)OCC)C1 ZINC000599308223 361644759 /nfs/dbraw/zinc/64/47/59/361644759.db2.gz REHLHWSQAUXHGD-KBPBESRZSA-N 2 2 286.416 0.964 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CC(=O)OCC)C1 ZINC000599308223 361644761 /nfs/dbraw/zinc/64/47/61/361644761.db2.gz REHLHWSQAUXHGD-KBPBESRZSA-N 2 2 286.416 0.964 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)CC(=O)OCC)C1 ZINC000599308223 361644765 /nfs/dbraw/zinc/64/47/65/361644765.db2.gz REHLHWSQAUXHGD-KBPBESRZSA-N 2 2 286.416 0.964 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)CC(=O)OCC)C1 ZINC000599308223 361644768 /nfs/dbraw/zinc/64/47/68/361644768.db2.gz REHLHWSQAUXHGD-KBPBESRZSA-N 2 2 286.416 0.964 20 0 CCADLP COC(=O)c1cnc(C[N@H+](C)CCCn2cc[nH+]c2)cn1 ZINC000599337834 361658593 /nfs/dbraw/zinc/65/85/93/361658593.db2.gz JECFOQWJRAPWPS-UHFFFAOYSA-N 2 2 289.339 0.982 20 0 CCADLP COC(=O)c1cnc(C[N@@H+](C)CCCn2cc[nH+]c2)cn1 ZINC000599337834 361658597 /nfs/dbraw/zinc/65/85/97/361658597.db2.gz JECFOQWJRAPWPS-UHFFFAOYSA-N 2 2 289.339 0.982 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000599339823 361661261 /nfs/dbraw/zinc/66/12/61/361661261.db2.gz NHFRCBOMUVLKDU-NEPJUHHUSA-N 2 2 281.356 0.524 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000599339823 361661270 /nfs/dbraw/zinc/66/12/70/361661270.db2.gz NHFRCBOMUVLKDU-NEPJUHHUSA-N 2 2 281.356 0.524 20 0 CCADLP CCO[C@@H]1C[N@H+](Cc2nccnc2C)C[C@H]1C[NH3+] ZINC000631829166 370696468 /nfs/dbraw/zinc/69/64/68/370696468.db2.gz JBIZUSSSCSPBFW-DGCLKSJQSA-N 2 2 250.346 0.581 20 0 CCADLP CCO[C@@H]1C[N@@H+](Cc2nccnc2C)C[C@H]1C[NH3+] ZINC000631829166 370696474 /nfs/dbraw/zinc/69/64/74/370696474.db2.gz JBIZUSSSCSPBFW-DGCLKSJQSA-N 2 2 250.346 0.581 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000564639942 291289709 /nfs/dbraw/zinc/28/97/09/291289709.db2.gz FJKVKABVFCMEJZ-CYBMUJFWSA-N 2 2 278.356 0.064 20 0 CCADLP COCc1noc([C@H](C)[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000564656734 291291547 /nfs/dbraw/zinc/29/15/47/291291547.db2.gz DTKVUCZCHFZWMA-GUBZILKMSA-N 2 2 254.334 0.946 20 0 CCADLP COCc1noc([C@H](C)[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000564656734 291291548 /nfs/dbraw/zinc/29/15/48/291291548.db2.gz DTKVUCZCHFZWMA-GUBZILKMSA-N 2 2 254.334 0.946 20 0 CCADLP COCC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000564665801 291292830 /nfs/dbraw/zinc/29/28/30/291292830.db2.gz MNWTYUCHSHJWEA-CYBMUJFWSA-N 2 2 269.389 0.119 20 0 CCADLP COCC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000564665801 291292832 /nfs/dbraw/zinc/29/28/32/291292832.db2.gz MNWTYUCHSHJWEA-CYBMUJFWSA-N 2 2 269.389 0.119 20 0 CCADLP CC(C)[NH+]1CCC(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000564710981 291294949 /nfs/dbraw/zinc/29/49/49/291294949.db2.gz RDJWOFCMWKSBRM-AWEZNQCLSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[NH+]1CCC(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000564710981 291294951 /nfs/dbraw/zinc/29/49/51/291294951.db2.gz RDJWOFCMWKSBRM-AWEZNQCLSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)NC(=O)NC1CCCC1 ZINC000564717723 291294908 /nfs/dbraw/zinc/29/49/08/291294908.db2.gz KHEQVZRBISESJM-JTNHKYCSSA-N 2 2 296.415 0.731 20 0 CCADLP C[C@]1(NC(=O)NCC[N@@H+]2CCOCC2(C)C)CC[NH2+]C1 ZINC000612874177 364029891 /nfs/dbraw/zinc/02/98/91/364029891.db2.gz BTIGUFIQEKMLGW-AWEZNQCLSA-N 2 2 284.404 0.148 20 0 CCADLP C[C@]1(NC(=O)NCC[N@H+]2CCOCC2(C)C)CC[NH2+]C1 ZINC000612874177 364029895 /nfs/dbraw/zinc/02/98/95/364029895.db2.gz BTIGUFIQEKMLGW-AWEZNQCLSA-N 2 2 284.404 0.148 20 0 CCADLP [NH3+][C@@H]1CCCCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000631835430 370700504 /nfs/dbraw/zinc/70/05/04/370700504.db2.gz USSHABUIAPOLFN-CHWSQXEVSA-N 3 2 253.390 0.711 20 0 CCADLP [NH3+][C@@H]1CCCCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000631835430 370700506 /nfs/dbraw/zinc/70/05/06/370700506.db2.gz USSHABUIAPOLFN-CHWSQXEVSA-N 3 2 253.390 0.711 20 0 CCADLP C[C@H](C(=O)NCC(F)(F)F)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837316 370702088 /nfs/dbraw/zinc/70/20/88/370702088.db2.gz AJNQIFBSCJHRGC-IWSPIJDZSA-N 2 2 267.295 0.580 20 0 CCADLP C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837316 370702091 /nfs/dbraw/zinc/70/20/91/370702091.db2.gz AJNQIFBSCJHRGC-IWSPIJDZSA-N 2 2 267.295 0.580 20 0 CCADLP CC(C)Cn1ncnc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837979 370703684 /nfs/dbraw/zinc/70/36/84/370703684.db2.gz YLLYXYRHIKKDBZ-VXGBXAGGSA-N 2 2 251.378 0.961 20 0 CCADLP CC(C)Cn1ncnc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837979 370703689 /nfs/dbraw/zinc/70/36/89/370703689.db2.gz YLLYXYRHIKKDBZ-VXGBXAGGSA-N 2 2 251.378 0.961 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000631861736 370722629 /nfs/dbraw/zinc/72/26/29/370722629.db2.gz HZRCUOANPIHKIE-GJZGRUSLSA-N 3 2 268.449 0.824 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000631861736 370722633 /nfs/dbraw/zinc/72/26/33/370722633.db2.gz HZRCUOANPIHKIE-GJZGRUSLSA-N 3 2 268.449 0.824 20 0 CCADLP Cc1noc(C)c1C[NH+]1CCC([NH2+]CCO)CC1 ZINC000631865734 370726412 /nfs/dbraw/zinc/72/64/12/370726412.db2.gz GSOBCVMRGZMQAC-UHFFFAOYSA-N 2 2 253.346 0.838 20 0 CCADLP Cn1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1=O ZINC000631887967 370738347 /nfs/dbraw/zinc/73/83/47/370738347.db2.gz SBZWNZBAQGFLSE-KBPBESRZSA-N 2 2 261.369 0.959 20 0 CCADLP Cn1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1=O ZINC000631887967 370738350 /nfs/dbraw/zinc/73/83/50/370738350.db2.gz SBZWNZBAQGFLSE-KBPBESRZSA-N 2 2 261.369 0.959 20 0 CCADLP CN(CC1CC1)C(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631888147 370738393 /nfs/dbraw/zinc/73/83/93/370738393.db2.gz UGVJRPCNORRSIH-KBPBESRZSA-N 2 2 265.401 0.929 20 0 CCADLP CN(CC1CC1)C(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631888147 370738397 /nfs/dbraw/zinc/73/83/97/370738397.db2.gz UGVJRPCNORRSIH-KBPBESRZSA-N 2 2 265.401 0.929 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)NC[C@@H]1CCCO1 ZINC000631889481 370739610 /nfs/dbraw/zinc/73/96/10/370739610.db2.gz GZSXYTBEPOCCMS-HZSPNIEDSA-N 2 2 281.400 0.356 20 0 CCADLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)NC[C@@H]1CCCO1 ZINC000631889481 370739614 /nfs/dbraw/zinc/73/96/14/370739614.db2.gz GZSXYTBEPOCCMS-HZSPNIEDSA-N 2 2 281.400 0.356 20 0 CCADLP c1nc2n(n1)[C@H](C[N@@H+]1CCC[C@H]3C[NH2+]CC[C@H]31)CC2 ZINC000631890327 370740200 /nfs/dbraw/zinc/74/02/00/370740200.db2.gz OUKDVXYVEILYTA-RWMBFGLXSA-N 2 2 261.373 0.839 20 0 CCADLP c1nc2n(n1)[C@H](C[N@H+]1CCC[C@H]3C[NH2+]CC[C@H]31)CC2 ZINC000631890327 370740202 /nfs/dbraw/zinc/74/02/02/370740202.db2.gz OUKDVXYVEILYTA-RWMBFGLXSA-N 2 2 261.373 0.839 20 0 CCADLP Cn1cc[nH+]c1N1CCC(NC(=O)C2([NH+](C)C)CC2)CC1 ZINC000613911214 364439055 /nfs/dbraw/zinc/43/90/55/364439055.db2.gz IVUGXQJOBYISPO-UHFFFAOYSA-N 2 2 291.399 0.599 20 0 CCADLP C[N@H+](CCNC(=O)C(C)(C)c1c[nH]c[nH+]1)C1CC1 ZINC000621722185 366852846 /nfs/dbraw/zinc/85/28/46/366852846.db2.gz NSLBUZZMXKLCDI-UHFFFAOYSA-N 2 2 250.346 0.898 20 0 CCADLP C[N@@H+](CCNC(=O)C(C)(C)c1c[nH]c[nH+]1)C1CC1 ZINC000621722185 366852850 /nfs/dbraw/zinc/85/28/50/366852850.db2.gz NSLBUZZMXKLCDI-UHFFFAOYSA-N 2 2 250.346 0.898 20 0 CCADLP NC(=O)c1cc(F)ccc1N1CC[NH+](CCC[NH3+])CC1 ZINC000621778028 366863205 /nfs/dbraw/zinc/86/32/05/366863205.db2.gz JYQKSBWMAJBVDX-UHFFFAOYSA-N 2 2 280.347 0.395 20 0 CCADLP [NH3+]CCC[NH2+][C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621777855 366863293 /nfs/dbraw/zinc/86/32/93/366863293.db2.gz HYOHFKNDNQNEGD-LBPRGKRZSA-N 2 2 254.355 0.595 20 0 CCADLP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCCN1CCOCC1)C2 ZINC000621784189 366866014 /nfs/dbraw/zinc/86/60/14/366866014.db2.gz LDWPARUWDSDBQZ-UONOGXRCSA-N 2 2 253.390 0.522 20 0 CCADLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCCN1CCOCC1)C2 ZINC000621784189 366866020 /nfs/dbraw/zinc/86/60/20/366866020.db2.gz LDWPARUWDSDBQZ-UONOGXRCSA-N 2 2 253.390 0.522 20 0 CCADLP [NH3+][C@@]12CCC[C@H]1CN(CCC[NH+]1CCOCC1)C2 ZINC000621784189 366866027 /nfs/dbraw/zinc/86/60/27/366866027.db2.gz LDWPARUWDSDBQZ-UONOGXRCSA-N 2 2 253.390 0.522 20 0 CCADLP O=C(NCc1[nH]cc[nH+]1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000564918375 291316153 /nfs/dbraw/zinc/31/61/53/291316153.db2.gz KUVVEGSPZCCPEP-NSHDSACASA-N 2 2 274.328 0.461 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000564949182 291323802 /nfs/dbraw/zinc/32/38/02/291323802.db2.gz KVBNPDLNVZZQNL-ZDUSSCGKSA-N 2 2 298.431 0.030 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000564949182 291323805 /nfs/dbraw/zinc/32/38/05/291323805.db2.gz KVBNPDLNVZZQNL-ZDUSSCGKSA-N 2 2 298.431 0.030 20 0 CCADLP C[N@@H+]1CCN(Cc2cnc(N3CCCC3)nc2)[C@H](C[NH3+])C1 ZINC000564973548 291328360 /nfs/dbraw/zinc/32/83/60/291328360.db2.gz KCMKHECPOLCDEW-CQSZACIVSA-N 2 2 290.415 0.152 20 0 CCADLP C[N@H+]1CCN(Cc2cnc(N3CCCC3)nc2)[C@H](C[NH3+])C1 ZINC000564973548 291328362 /nfs/dbraw/zinc/32/83/62/291328362.db2.gz KCMKHECPOLCDEW-CQSZACIVSA-N 2 2 290.415 0.152 20 0 CCADLP CCn1ccnc1C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000564973465 291328418 /nfs/dbraw/zinc/32/84/18/291328418.db2.gz GZYNGJXXSZYPRS-ZDUSSCGKSA-N 2 2 293.415 0.723 20 0 CCADLP CCn1ccnc1C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000564973465 291328419 /nfs/dbraw/zinc/32/84/19/291328419.db2.gz GZYNGJXXSZYPRS-ZDUSSCGKSA-N 2 2 293.415 0.723 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@@H](O)C2CCC2)C[C@@H](C)O1 ZINC000564975618 291328945 /nfs/dbraw/zinc/32/89/45/291328945.db2.gz PVZHIZFXJPIILM-QHSBEEBCSA-N 2 2 286.416 0.207 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000615269410 364901694 /nfs/dbraw/zinc/90/16/94/364901694.db2.gz KXOKYJUVOOVGRG-UONOGXRCSA-N 2 2 292.383 0.284 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000615269410 364901697 /nfs/dbraw/zinc/90/16/97/364901697.db2.gz KXOKYJUVOOVGRG-UONOGXRCSA-N 2 2 292.383 0.284 20 0 CCADLP CC(C)COC(=O)N1CCC([NH2+]C[C@@H]2C[NH2+]CCO2)CC1 ZINC000496452970 240082811 /nfs/dbraw/zinc/08/28/11/240082811.db2.gz FUQNHCNWDLEULB-AWEZNQCLSA-N 2 2 299.415 0.821 20 0 CCADLP Cc1nc(N)c(CNC(=O)C[N@@H+](C)[C@H]2CCSC2)c[nH+]1 ZINC000565022933 291336804 /nfs/dbraw/zinc/33/68/04/291336804.db2.gz CFVBMJUMDIYBJF-NSHDSACASA-N 2 2 295.412 0.251 20 0 CCADLP Cc1nc(N)c(CNC(=O)C[N@H+](C)[C@H]2CCSC2)c[nH+]1 ZINC000565022933 291336808 /nfs/dbraw/zinc/33/68/08/291336808.db2.gz CFVBMJUMDIYBJF-NSHDSACASA-N 2 2 295.412 0.251 20 0 CCADLP C[C@@H](NC(=O)NC(C)(C)CC[NH3+])[C@@H](C)[NH+]1CCOCC1 ZINC000422600970 296074806 /nfs/dbraw/zinc/07/48/06/296074806.db2.gz WBOSYCHZOSKCNX-VXGBXAGGSA-N 2 2 286.420 0.522 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@@H+]1CCO[C@H](C)C1)[C@H](C)[NH3+] ZINC000565027837 291337425 /nfs/dbraw/zinc/33/74/25/291337425.db2.gz DSUYMLVGSBIWBO-AGIUHOORSA-N 2 2 271.405 0.443 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@H+]1CCO[C@H](C)C1)[C@H](C)[NH3+] ZINC000565027837 291337426 /nfs/dbraw/zinc/33/74/26/291337426.db2.gz DSUYMLVGSBIWBO-AGIUHOORSA-N 2 2 271.405 0.443 20 0 CCADLP C[NH2+]CCC[N@H+](C)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000565043581 291340097 /nfs/dbraw/zinc/34/00/97/291340097.db2.gz GSKLYUUBTBLXFO-LBPRGKRZSA-N 2 2 265.361 0.067 20 0 CCADLP C[NH2+]CCC[N@@H+](C)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000565043581 291340101 /nfs/dbraw/zinc/34/01/01/291340101.db2.gz GSKLYUUBTBLXFO-LBPRGKRZSA-N 2 2 265.361 0.067 20 0 CCADLP CC1(C)C[NH+](CC(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000565184034 291353722 /nfs/dbraw/zinc/35/37/22/291353722.db2.gz YHZRRYMOTFSOCX-UHFFFAOYSA-N 2 2 283.416 0.555 20 0 CCADLP CC1(C)C[NH+](CC(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000565184034 291353723 /nfs/dbraw/zinc/35/37/23/291353723.db2.gz YHZRRYMOTFSOCX-UHFFFAOYSA-N 2 2 283.416 0.555 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)n1C ZINC000565239282 291365631 /nfs/dbraw/zinc/36/56/31/291365631.db2.gz WAVHZWIHOHXMSR-ZDUSSCGKSA-N 3 2 279.432 0.844 20 0 CCADLP C[NH+](C)C1CC(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000622007620 366977810 /nfs/dbraw/zinc/97/78/10/366977810.db2.gz GUMLODLHDYMJOC-UNXYVOJBSA-N 2 2 262.357 0.654 20 0 CCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000565303326 291370696 /nfs/dbraw/zinc/37/06/96/291370696.db2.gz MLNLMXLQLKGFSK-CQSZACIVSA-N 2 2 253.390 0.930 20 0 CCADLP CCN(CC)C(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000565303326 291370697 /nfs/dbraw/zinc/37/06/97/291370697.db2.gz MLNLMXLQLKGFSK-CQSZACIVSA-N 2 2 253.390 0.930 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N(C)CCCn1cc[nH+]c1 ZINC000622448191 367164192 /nfs/dbraw/zinc/16/41/92/367164192.db2.gz AIOFMRBFFQHWAO-UHFFFAOYSA-N 2 2 261.329 0.937 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000622631321 367232210 /nfs/dbraw/zinc/23/22/10/367232210.db2.gz LAILPLZRNPTMRD-GFCCVEGCSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000622631321 367232214 /nfs/dbraw/zinc/23/22/14/367232214.db2.gz LAILPLZRNPTMRD-GFCCVEGCSA-N 2 2 280.372 0.305 20 0 CCADLP O=C1N=NC2C[N@H+](CCC3CC[NH2+]CC3)CCN12 ZINC000566245323 291383146 /nfs/dbraw/zinc/38/31/46/291383146.db2.gz IZFULPCYMGSPFD-UHFFFAOYSA-N 2 2 251.334 0.189 20 0 CCADLP O=C1N=NC2C[N@@H+](CCC3CC[NH2+]CC3)CCN12 ZINC000566245323 291383147 /nfs/dbraw/zinc/38/31/47/291383147.db2.gz IZFULPCYMGSPFD-UHFFFAOYSA-N 2 2 251.334 0.189 20 0 CCADLP O=c1[nH]nc2n1CC[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000566245323 291383148 /nfs/dbraw/zinc/38/31/48/291383148.db2.gz IZFULPCYMGSPFD-UHFFFAOYSA-N 2 2 251.334 0.189 20 0 CCADLP O=c1[nH]nc2n1CC[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000566245323 291383149 /nfs/dbraw/zinc/38/31/49/291383149.db2.gz IZFULPCYMGSPFD-UHFFFAOYSA-N 2 2 251.334 0.189 20 0 CCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)Cc1c[nH+]cn1C ZINC000622729252 367362457 /nfs/dbraw/zinc/36/24/57/367362457.db2.gz VAZKCVJLXDOLGV-LLVKDONJSA-N 2 2 250.346 0.515 20 0 CCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)Cc1c[nH+]cn1C ZINC000622729252 367362459 /nfs/dbraw/zinc/36/24/59/367362459.db2.gz VAZKCVJLXDOLGV-LLVKDONJSA-N 2 2 250.346 0.515 20 0 CCADLP [NH3+]C1(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC000623180261 367467610 /nfs/dbraw/zinc/46/76/10/367467610.db2.gz XTQUCBKKCSPCPK-NSHDSACASA-N 2 2 262.357 0.833 20 0 CCADLP O=C(NC[C@@H]1CCCC[NH2+]1)[C@H]1CCn2cc[nH+]c2C1 ZINC000623175644 367463292 /nfs/dbraw/zinc/46/32/92/367463292.db2.gz FJVZGMFUVFAODF-RYUDHWBXSA-N 2 2 262.357 0.704 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623177361 367465648 /nfs/dbraw/zinc/46/56/48/367465648.db2.gz UDLWLZXTXCRRIA-WOPDTQHZSA-N 2 2 262.357 0.560 20 0 CCADLP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623178234 367465794 /nfs/dbraw/zinc/46/57/94/367465794.db2.gz HJUGQEJALQIWEN-WOPDTQHZSA-N 2 2 280.347 0.604 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623303935 367525557 /nfs/dbraw/zinc/52/55/57/367525557.db2.gz NPZSILQYDGMRDI-AAEUAGOBSA-N 2 2 262.357 0.798 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623303935 367525560 /nfs/dbraw/zinc/52/55/60/367525560.db2.gz NPZSILQYDGMRDI-AAEUAGOBSA-N 2 2 262.357 0.798 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000623340416 367541135 /nfs/dbraw/zinc/54/11/35/367541135.db2.gz XPABRQSFNWHJDH-CQSZACIVSA-N 2 2 283.416 0.650 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000623340416 367541145 /nfs/dbraw/zinc/54/11/45/367541145.db2.gz XPABRQSFNWHJDH-CQSZACIVSA-N 2 2 283.416 0.650 20 0 CCADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000623260056 367499016 /nfs/dbraw/zinc/49/90/16/367499016.db2.gz SRQORKVPRXDEQZ-ZWNOBZJWSA-N 2 2 260.341 0.551 20 0 CCADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@H]1CCC[N@H+]1C1CC1 ZINC000623260056 367499023 /nfs/dbraw/zinc/49/90/23/367499023.db2.gz SRQORKVPRXDEQZ-ZWNOBZJWSA-N 2 2 260.341 0.551 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CCO1 ZINC000623618988 367605843 /nfs/dbraw/zinc/60/58/43/367605843.db2.gz NFXXWJRENMLQGU-XQQFMLRXSA-N 2 2 269.389 0.483 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CCO1 ZINC000623618988 367605849 /nfs/dbraw/zinc/60/58/49/367605849.db2.gz NFXXWJRENMLQGU-XQQFMLRXSA-N 2 2 269.389 0.483 20 0 CCADLP CC[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CO1 ZINC000623620415 367607982 /nfs/dbraw/zinc/60/79/82/367607982.db2.gz PDRZAGJEIZUUMO-XQQFMLRXSA-N 2 2 269.389 0.483 20 0 CCADLP CC[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CO1 ZINC000623620415 367607988 /nfs/dbraw/zinc/60/79/88/367607988.db2.gz PDRZAGJEIZUUMO-XQQFMLRXSA-N 2 2 269.389 0.483 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000623709994 367624571 /nfs/dbraw/zinc/62/45/71/367624571.db2.gz PTQKEUNKMQAPLO-GXTWGEPZSA-N 2 2 296.415 0.101 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000623709994 367624577 /nfs/dbraw/zinc/62/45/77/367624577.db2.gz PTQKEUNKMQAPLO-GXTWGEPZSA-N 2 2 296.415 0.101 20 0 CCADLP C[NH+]1CCOC[C@H]1CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000623709994 367624582 /nfs/dbraw/zinc/62/45/82/367624582.db2.gz PTQKEUNKMQAPLO-GXTWGEPZSA-N 2 2 296.415 0.101 20 0 CCADLP C[NH+]1CCOC[C@H]1CNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000623709994 367624590 /nfs/dbraw/zinc/62/45/90/367624590.db2.gz PTQKEUNKMQAPLO-GXTWGEPZSA-N 2 2 296.415 0.101 20 0 CCADLP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623706729 367625259 /nfs/dbraw/zinc/62/52/59/367625259.db2.gz KUQILHGTOYMROO-CHWSQXEVSA-N 2 2 286.420 0.347 20 0 CCADLP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623706729 367625262 /nfs/dbraw/zinc/62/52/62/367625262.db2.gz KUQILHGTOYMROO-CHWSQXEVSA-N 2 2 286.420 0.347 20 0 CCADLP O[C@H]1CC[N@H+](CC[NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000623838136 367674676 /nfs/dbraw/zinc/67/46/76/367674676.db2.gz IKHHEOSTGBXKCO-STQMWFEESA-N 2 2 254.374 0.744 20 0 CCADLP O[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000623838136 367674679 /nfs/dbraw/zinc/67/46/79/367674679.db2.gz IKHHEOSTGBXKCO-STQMWFEESA-N 2 2 254.374 0.744 20 0 CCADLP COCC[N@@H+]1CCCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000623843975 367678436 /nfs/dbraw/zinc/67/84/36/367678436.db2.gz ZWZZEDVLTUQSSH-UHFFFAOYSA-N 2 2 294.399 0.844 20 0 CCADLP COCC[N@H+]1CCCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000623843975 367678439 /nfs/dbraw/zinc/67/84/39/367678439.db2.gz ZWZZEDVLTUQSSH-UHFFFAOYSA-N 2 2 294.399 0.844 20 0 CCADLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)[C@H]1CCCCO1 ZINC000623892165 367691490 /nfs/dbraw/zinc/69/14/90/367691490.db2.gz GSXPWGGPPTVJET-MELADBBJSA-N 2 2 255.406 0.779 20 0 CCADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)[C@H]1CCCCO1 ZINC000623892165 367691494 /nfs/dbraw/zinc/69/14/94/367691494.db2.gz GSXPWGGPPTVJET-MELADBBJSA-N 2 2 255.406 0.779 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)[C@H]1CCOC1 ZINC000624085165 367747124 /nfs/dbraw/zinc/74/71/24/367747124.db2.gz BRSOEHYDXLYCHA-AGIUHOORSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)[C@H]1CCOC1 ZINC000624085165 367747131 /nfs/dbraw/zinc/74/71/31/367747131.db2.gz BRSOEHYDXLYCHA-AGIUHOORSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H]1COCC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624086497 367749058 /nfs/dbraw/zinc/74/90/58/367749058.db2.gz IWIGLZKQRJPDOE-AVGNSLFASA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H]1COCC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624086497 367749063 /nfs/dbraw/zinc/74/90/63/367749063.db2.gz IWIGLZKQRJPDOE-AVGNSLFASA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccn(C)n1 ZINC000624086530 367750101 /nfs/dbraw/zinc/75/01/01/367750101.db2.gz KAOHTGQTNJFPJY-AAEUAGOBSA-N 2 2 279.388 0.411 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccn(C)n1 ZINC000624086530 367750104 /nfs/dbraw/zinc/75/01/04/367750104.db2.gz KAOHTGQTNJFPJY-AAEUAGOBSA-N 2 2 279.388 0.411 20 0 CCADLP CCCn1cc[nH+]c1CCCN(C)c1nc(N)[nH+]c(N)n1 ZINC000624157997 367768406 /nfs/dbraw/zinc/76/84/06/367768406.db2.gz JAWJRUCFLQZERF-UHFFFAOYSA-N 2 2 290.375 0.372 20 0 CCADLP CCCn1cc[nH+]c1CCCN(C)c1nc(N)nc(N)[nH+]1 ZINC000624157997 367768416 /nfs/dbraw/zinc/76/84/16/367768416.db2.gz JAWJRUCFLQZERF-UHFFFAOYSA-N 2 2 290.375 0.372 20 0 CCADLP Cc1nccnc1[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000275914811 193161457 /nfs/dbraw/zinc/16/14/57/193161457.db2.gz VAGYFMSUZLKVPV-DGCLKSJQSA-N 2 2 291.399 0.775 20 0 CCADLP Cc1nccnc1[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000275914811 193161459 /nfs/dbraw/zinc/16/14/59/193161459.db2.gz VAGYFMSUZLKVPV-DGCLKSJQSA-N 2 2 291.399 0.775 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000624228877 367796359 /nfs/dbraw/zinc/79/63/59/367796359.db2.gz FCRVDUHTQCLBQB-YUTCNCBUSA-N 2 2 253.390 0.125 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000624228877 367796361 /nfs/dbraw/zinc/79/63/61/367796361.db2.gz FCRVDUHTQCLBQB-YUTCNCBUSA-N 2 2 253.390 0.125 20 0 CCADLP C[NH+]1CCN(CC2CN(c3[nH+]cnc4[nH]ccc43)C2)CC1 ZINC000624364436 367852207 /nfs/dbraw/zinc/85/22/07/367852207.db2.gz PIFWEZRDSOOZLG-UHFFFAOYSA-N 2 2 286.383 0.642 20 0 CCADLP CCCCNc1cc(NC[C@H]2COCC[N@@H+]2C)nc(N)[nH+]1 ZINC000624620632 367932598 /nfs/dbraw/zinc/93/25/98/367932598.db2.gz IKMGMOLVXCQDGW-NSHDSACASA-N 2 2 294.403 0.266 20 0 CCADLP CCCCNc1cc(NC[C@H]2COCC[N@H+]2C)nc(N)[nH+]1 ZINC000624620632 367932606 /nfs/dbraw/zinc/93/26/06/367932606.db2.gz IKMGMOLVXCQDGW-NSHDSACASA-N 2 2 294.403 0.266 20 0 CCADLP Cc1nc(NCC[N@@H+]2CC[C@H](O)C2)c2c([nH+]1)CCCC2 ZINC000624775511 367989642 /nfs/dbraw/zinc/98/96/42/367989642.db2.gz YFMIGYXBDWAATG-LBPRGKRZSA-N 2 2 276.384 0.564 20 0 CCADLP Cc1nc(NCC[N@H+]2CC[C@H](O)C2)c2c([nH+]1)CCCC2 ZINC000624775511 367989645 /nfs/dbraw/zinc/98/96/45/367989645.db2.gz YFMIGYXBDWAATG-LBPRGKRZSA-N 2 2 276.384 0.564 20 0 CCADLP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000624731165 367971171 /nfs/dbraw/zinc/97/11/71/367971171.db2.gz FVIBPFRINIYOKE-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000624731165 367971178 /nfs/dbraw/zinc/97/11/78/367971178.db2.gz FVIBPFRINIYOKE-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1CN(C(=O)NC[C@@H]2COCC[NH+]2C)C[C@H](C)[N@H+]1C ZINC000624734999 367973054 /nfs/dbraw/zinc/97/30/54/367973054.db2.gz TVVDHBXYBZDIRD-FRRDWIJNSA-N 2 2 284.404 0.051 20 0 CCADLP C[C@@H]1CN(C(=O)NC[C@@H]2COCC[NH+]2C)C[C@H](C)[N@@H+]1C ZINC000624734999 367973058 /nfs/dbraw/zinc/97/30/58/367973058.db2.gz TVVDHBXYBZDIRD-FRRDWIJNSA-N 2 2 284.404 0.051 20 0 CCADLP C[C@@H]1CN(C(=O)NC[C@@H]2COCC[N@@H+]2C)C[C@H](C)[NH+]1C ZINC000624734999 367973063 /nfs/dbraw/zinc/97/30/63/367973063.db2.gz TVVDHBXYBZDIRD-FRRDWIJNSA-N 2 2 284.404 0.051 20 0 CCADLP C[C@@H]1CN(C(=O)NC[C@@H]2COCC[N@H+]2C)C[C@H](C)[NH+]1C ZINC000624734999 367973071 /nfs/dbraw/zinc/97/30/71/367973071.db2.gz TVVDHBXYBZDIRD-FRRDWIJNSA-N 2 2 284.404 0.051 20 0 CCADLP CC(C)(C)n1nnc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])n1 ZINC000656200761 412763968 /nfs/dbraw/zinc/76/39/68/412763968.db2.gz PXOXIVQVQBRIIF-VHSXEESVSA-N 2 2 252.366 0.645 20 0 CCADLP Cc1cc[nH+]c(N2CC[NH+](CCc3cn(C)nn3)CC2)c1 ZINC000625221859 368106192 /nfs/dbraw/zinc/10/61/92/368106192.db2.gz PCVWXXSZLLKBLI-UHFFFAOYSA-N 2 2 286.383 0.883 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H](O)CC1(O)CCC1 ZINC000625273867 368128023 /nfs/dbraw/zinc/12/80/23/368128023.db2.gz QTDWOTGYLLOIJV-CYBMUJFWSA-N 2 2 267.373 0.871 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H](O)CC1(O)CCC1 ZINC000625273867 368128028 /nfs/dbraw/zinc/12/80/28/368128028.db2.gz QTDWOTGYLLOIJV-CYBMUJFWSA-N 2 2 267.373 0.871 20 0 CCADLP Cn1cc(CC[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)nn1 ZINC000625191414 368095084 /nfs/dbraw/zinc/09/50/84/368095084.db2.gz ZXXUWJROIIQETL-CYBMUJFWSA-N 2 2 279.388 0.012 20 0 CCADLP Cn1cc(CC[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)nn1 ZINC000625191414 368095091 /nfs/dbraw/zinc/09/50/91/368095091.db2.gz ZXXUWJROIIQETL-CYBMUJFWSA-N 2 2 279.388 0.012 20 0 CCADLP Cn1cc(CC[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)nn1 ZINC000625463046 368207608 /nfs/dbraw/zinc/20/76/08/368207608.db2.gz FWOSGXRLKDKNAQ-UHFFFAOYSA-N 2 2 293.415 0.184 20 0 CCADLP C[NH2+]Cc1ccccc1NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000625895332 368360376 /nfs/dbraw/zinc/36/03/76/368360376.db2.gz CRLSXWZKVBTLJS-ZDUSSCGKSA-N 2 2 292.383 0.858 20 0 CCADLP C[NH2+]Cc1ccccc1NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000625895332 368360380 /nfs/dbraw/zinc/36/03/80/368360380.db2.gz CRLSXWZKVBTLJS-ZDUSSCGKSA-N 2 2 292.383 0.858 20 0 CCADLP C[C@H](CNc1cc[nH+]cc1C(N)=O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656210509 412768399 /nfs/dbraw/zinc/76/83/99/412768399.db2.gz DUCWMMPLCKSKHJ-UTUOFQBUSA-N 2 2 292.383 0.512 20 0 CCADLP C[C@H](CNc1cc[nH+]cc1C(N)=O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656210509 412768403 /nfs/dbraw/zinc/76/84/03/412768403.db2.gz DUCWMMPLCKSKHJ-UTUOFQBUSA-N 2 2 292.383 0.512 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)COCC(F)F)CC1 ZINC000625993177 368387564 /nfs/dbraw/zinc/38/75/64/368387564.db2.gz LHTPWSQJNGKIBR-UHFFFAOYSA-N 2 2 293.358 0.410 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000335490382 212167294 /nfs/dbraw/zinc/16/72/94/212167294.db2.gz DFDVJDIOKBWQDG-VXGBXAGGSA-N 2 2 262.357 0.656 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000335490382 212167297 /nfs/dbraw/zinc/16/72/97/212167297.db2.gz DFDVJDIOKBWQDG-VXGBXAGGSA-N 2 2 262.357 0.656 20 0 CCADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@H](C)O)CC1 ZINC000626089622 368437184 /nfs/dbraw/zinc/43/71/84/368437184.db2.gz YMBICBLOAVPHNR-CYBMUJFWSA-N 2 2 256.390 0.944 20 0 CCADLP CC[N@@H+]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC000626260167 368499460 /nfs/dbraw/zinc/49/94/60/368499460.db2.gz AMMIKAZRQWCOMW-LBPRGKRZSA-N 2 2 250.346 0.744 20 0 CCADLP CC[N@H+]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC000626260167 368499461 /nfs/dbraw/zinc/49/94/61/368499461.db2.gz AMMIKAZRQWCOMW-LBPRGKRZSA-N 2 2 250.346 0.744 20 0 CCADLP CCN(CC[NH3+])C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000626970261 368703310 /nfs/dbraw/zinc/70/33/10/368703310.db2.gz IVBADWZJPOYASE-NEPJUHHUSA-N 2 2 272.393 0.086 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCCn1cc[nH+]c1 ZINC000626918002 368677439 /nfs/dbraw/zinc/67/74/39/368677439.db2.gz RWOFGLSSASIQTK-NWDGAFQWSA-N 2 2 265.361 0.713 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)NCCCn2cc[nH+]c2)C[NH2+]1 ZINC000626917713 368677569 /nfs/dbraw/zinc/67/75/69/368677569.db2.gz LTYVJQBRRLSCQO-RYUDHWBXSA-N 2 2 265.361 0.713 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000627164026 368838186 /nfs/dbraw/zinc/83/81/86/368838186.db2.gz COONISNJXHDAIR-NWDGAFQWSA-N 2 2 277.372 0.857 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000627084858 368783178 /nfs/dbraw/zinc/78/31/78/368783178.db2.gz ZBVGBKQITORDET-GFCCVEGCSA-N 2 2 284.404 0.006 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000627084858 368783180 /nfs/dbraw/zinc/78/31/80/368783180.db2.gz ZBVGBKQITORDET-GFCCVEGCSA-N 2 2 284.404 0.006 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000627105293 368798801 /nfs/dbraw/zinc/79/88/01/368798801.db2.gz DYXIFBZIMYPGPY-RQJABVFESA-N 2 2 296.415 0.004 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000627105293 368798807 /nfs/dbraw/zinc/79/88/07/368798807.db2.gz DYXIFBZIMYPGPY-RQJABVFESA-N 2 2 296.415 0.004 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCC1([NH+](C)C)CC1)CC2 ZINC000627777921 369097646 /nfs/dbraw/zinc/09/76/46/369097646.db2.gz WCIMOXYWLUVYEF-LBPRGKRZSA-N 2 2 276.384 0.964 20 0 CCADLP CCN(C(=O)[C@H](C)[NH+]1CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000627619182 369057120 /nfs/dbraw/zinc/05/71/20/369057120.db2.gz WJMQOKGFRQQYFC-AWEZNQCLSA-N 2 2 296.459 0.565 20 0 CCADLP NC(=O)NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000330680162 203111576 /nfs/dbraw/zinc/11/15/76/203111576.db2.gz NPEXEGRHCPFRFS-UHFFFAOYSA-N 2 2 251.290 0.129 20 0 CCADLP C[NH+](C)C1(C(=O)N2CC[NH+](CCCF)CC2)CC1 ZINC000627963119 369149241 /nfs/dbraw/zinc/14/92/41/369149241.db2.gz TVHFNITUOLSMQL-UHFFFAOYSA-N 2 2 257.353 0.584 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](COC(F)F)C1 ZINC000574288063 335007479 /nfs/dbraw/zinc/00/74/79/335007479.db2.gz KHNJRODCCHCKTB-GHMZBOCLSA-N 2 2 266.332 0.860 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](COC(F)F)C1 ZINC000574288063 335007480 /nfs/dbraw/zinc/00/74/80/335007480.db2.gz KHNJRODCCHCKTB-GHMZBOCLSA-N 2 2 266.332 0.860 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000574288063 335007482 /nfs/dbraw/zinc/00/74/82/335007482.db2.gz KHNJRODCCHCKTB-GHMZBOCLSA-N 2 2 266.332 0.860 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000574288063 335007483 /nfs/dbraw/zinc/00/74/83/335007483.db2.gz KHNJRODCCHCKTB-GHMZBOCLSA-N 2 2 266.332 0.860 20 0 CCADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000423354297 299397269 /nfs/dbraw/zinc/39/72/69/299397269.db2.gz CPZOAGAIPIRPTC-UHIISALHSA-N 2 2 297.424 0.983 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000628015817 369162270 /nfs/dbraw/zinc/16/22/70/369162270.db2.gz ILFVNHUERAQAEP-MCIONIFRSA-N 2 2 294.399 0.805 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000628015817 369162275 /nfs/dbraw/zinc/16/22/75/369162275.db2.gz ILFVNHUERAQAEP-MCIONIFRSA-N 2 2 294.399 0.805 20 0 CCADLP COC(=O)C[C@H]([NH3+])C(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000574316939 335009787 /nfs/dbraw/zinc/00/97/87/335009787.db2.gz NSEZYGIPFQZJDA-NSHDSACASA-N 2 2 290.323 0.149 20 0 CCADLP CC1(C)CN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)CC[NH2+]1 ZINC000574320956 335010192 /nfs/dbraw/zinc/01/01/92/335010192.db2.gz APTSZKUHWVZVHX-JTQLQIEISA-N 2 2 277.372 0.311 20 0 CCADLP CCOCC[NH+]1CCN(Cc2[nH]cc(C)[nH+]2)CC1 ZINC000628129505 369189023 /nfs/dbraw/zinc/18/90/23/369189023.db2.gz FJNJZOHYXQOFTG-UHFFFAOYSA-N 2 2 252.362 0.872 20 0 CCADLP Cc1c[nH]c(CN2CC[NH+](CCC(=O)N(C)C)CC2)[nH+]1 ZINC000628185417 369206819 /nfs/dbraw/zinc/20/68/19/369206819.db2.gz YJXOMJRQBVYEOZ-UHFFFAOYSA-N 2 2 279.388 0.314 20 0 CCADLP Cc1c[nH]c(CN2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)[nH+]1 ZINC000628187131 369208040 /nfs/dbraw/zinc/20/80/40/369208040.db2.gz GNZNXBKYTHYTHF-ZDUSSCGKSA-N 2 2 291.399 0.457 20 0 CCADLP Cc1c[nH]c(CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)[nH+]1 ZINC000628187131 369208046 /nfs/dbraw/zinc/20/80/46/369208046.db2.gz GNZNXBKYTHYTHF-ZDUSSCGKSA-N 2 2 291.399 0.457 20 0 CCADLP Cc1c[nH]c(CN(CC[NH+](C)C)CC[NH+](C)C)[nH+]1 ZINC000628278748 369232271 /nfs/dbraw/zinc/23/22/71/369232271.db2.gz FTRPICHXDSWMLR-UHFFFAOYSA-N 3 2 253.394 0.643 20 0 CCADLP COCCOCC[N@H+](CCO)Cc1cccc2[nH+]ccn21 ZINC000628421537 369266453 /nfs/dbraw/zinc/26/64/53/369266453.db2.gz DVHVSABHQOLLLQ-UHFFFAOYSA-N 2 2 293.367 0.792 20 0 CCADLP COCCOCC[N@@H+](CCO)Cc1cccc2[nH+]ccn21 ZINC000628421537 369266458 /nfs/dbraw/zinc/26/64/58/369266458.db2.gz DVHVSABHQOLLLQ-UHFFFAOYSA-N 2 2 293.367 0.792 20 0 CCADLP C[C@]1(CO)C[N@@H+](Cc2c[nH+]c3n2CCC3)C[C@@]1(C)CO ZINC000628454115 369269568 /nfs/dbraw/zinc/26/95/68/369269568.db2.gz QFESYXRCVUGQTA-GASCZTMLSA-N 2 2 279.384 0.642 20 0 CCADLP C[C@]1(CO)C[N@H+](Cc2c[nH+]c3n2CCC3)C[C@@]1(C)CO ZINC000628454115 369269576 /nfs/dbraw/zinc/26/95/76/369269576.db2.gz QFESYXRCVUGQTA-GASCZTMLSA-N 2 2 279.384 0.642 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)CC[C@@H]1C(F)(F)F ZINC000629561820 369709784 /nfs/dbraw/zinc/70/97/84/369709784.db2.gz JSOCFCOLAOCKMR-HRDYMLBCSA-N 2 2 265.279 0.334 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)CC[C@@H]1C(F)(F)F ZINC000629561820 369709789 /nfs/dbraw/zinc/70/97/89/369709789.db2.gz JSOCFCOLAOCKMR-HRDYMLBCSA-N 2 2 265.279 0.334 20 0 CCADLP [NH3+]C[C@@H]1CN(CC[NH+]2CCOCC2)CC[C@@H]1C(F)(F)F ZINC000629564630 369711902 /nfs/dbraw/zinc/71/19/02/369711902.db2.gz SZVIOYPFIAZTIV-NEPJUHHUSA-N 2 2 295.349 0.778 20 0 CCADLP CC1(C)NC(=O)N(CC[NH+]2CCC3(CC[NH2+]3)CC2)C1=O ZINC000629542994 369697527 /nfs/dbraw/zinc/69/75/27/369697527.db2.gz QOKIFUZHYUQNRR-UHFFFAOYSA-N 2 2 280.372 0.145 20 0 CCADLP CNC(=O)c1cccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000629554581 369704253 /nfs/dbraw/zinc/70/42/53/369704253.db2.gz LPKQRQIXADPKFC-OAHLLOKOSA-N 2 2 291.395 0.593 20 0 CCADLP Cc1nc2ccccn2c1C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000629654568 369749008 /nfs/dbraw/zinc/74/90/08/369749008.db2.gz ZIUPIDJGHXFQSE-UHFFFAOYSA-N 2 2 298.350 0.887 20 0 CCADLP CC[C@@H](C)NC(=O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584572 369728105 /nfs/dbraw/zinc/72/81/05/369728105.db2.gz SBDXKGNPWZNCKB-BNOWGMLFSA-N 2 2 253.390 0.833 20 0 CCADLP CC[C@@H](C)NC(=O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584572 369728111 /nfs/dbraw/zinc/72/81/11/369728111.db2.gz SBDXKGNPWZNCKB-BNOWGMLFSA-N 2 2 253.390 0.833 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585001 369729864 /nfs/dbraw/zinc/72/98/64/369729864.db2.gz JGUJPOOMQVCJGI-OKILXGFUSA-N 2 2 269.389 0.071 20 0 CCADLP CCOCCNC(=O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585001 369729867 /nfs/dbraw/zinc/72/98/67/369729867.db2.gz JGUJPOOMQVCJGI-OKILXGFUSA-N 2 2 269.389 0.071 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COC1CCOCC1 ZINC000629590455 369731119 /nfs/dbraw/zinc/73/11/19/369731119.db2.gz BSJRREZPPLJCSD-CHWSQXEVSA-N 2 2 272.389 0.227 20 0 CCADLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COC1CCOCC1 ZINC000629590455 369731124 /nfs/dbraw/zinc/73/11/24/369731124.db2.gz BSJRREZPPLJCSD-CHWSQXEVSA-N 2 2 272.389 0.227 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C[NH+](C)C2CCC2)CCO1 ZINC000629954281 369852529 /nfs/dbraw/zinc/85/25/29/369852529.db2.gz DUZFHAATLZKZJT-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C[NH+](C)C2CCC2)CCO1 ZINC000629954281 369852532 /nfs/dbraw/zinc/85/25/32/369852532.db2.gz DUZFHAATLZKZJT-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)C[N@H+](C)C2CCC2)CCO1 ZINC000629954281 369852537 /nfs/dbraw/zinc/85/25/37/369852537.db2.gz DUZFHAATLZKZJT-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)C[N@@H+](C)C2CCC2)CCO1 ZINC000629954281 369852539 /nfs/dbraw/zinc/85/25/39/369852539.db2.gz DUZFHAATLZKZJT-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)C[N@H+](C)C1CCC1 ZINC000629981151 369868470 /nfs/dbraw/zinc/86/84/70/369868470.db2.gz VZZPUCRGTLYEEX-UHFFFAOYSA-N 2 2 250.346 0.563 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)C[N@@H+](C)C1CCC1 ZINC000629981151 369868476 /nfs/dbraw/zinc/86/84/76/369868476.db2.gz VZZPUCRGTLYEEX-UHFFFAOYSA-N 2 2 250.346 0.563 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000630087955 369946437 /nfs/dbraw/zinc/94/64/37/369946437.db2.gz GVFVBPAUUGENKP-ZDUSSCGKSA-N 2 2 281.400 0.309 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000630087955 369946445 /nfs/dbraw/zinc/94/64/45/369946445.db2.gz GVFVBPAUUGENKP-ZDUSSCGKSA-N 2 2 281.400 0.309 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)n1C ZINC000567488119 291487461 /nfs/dbraw/zinc/48/74/61/291487461.db2.gz GYVQCTPBLMEFTH-IPYPFGDCSA-N 2 2 292.383 0.644 20 0 CCADLP CO[C@@H]1C[N@H+]([C@@H]2CCCN(C(C)C)C2=O)[C@](C)(C[NH3+])C1 ZINC000630366889 370067505 /nfs/dbraw/zinc/06/75/05/370067505.db2.gz XBROTOBXOVDRAZ-GUTXKFCHSA-N 2 2 283.416 0.824 20 0 CCADLP CO[C@@H]1C[N@@H+]([C@@H]2CCCN(C(C)C)C2=O)[C@](C)(C[NH3+])C1 ZINC000630366889 370067508 /nfs/dbraw/zinc/06/75/08/370067508.db2.gz XBROTOBXOVDRAZ-GUTXKFCHSA-N 2 2 283.416 0.824 20 0 CCADLP c1c(C[NH+]2CCSCC2)nnn1CC1C[NH2+]C1 ZINC000630613519 370211217 /nfs/dbraw/zinc/21/12/17/370211217.db2.gz JUSCXICZTVVPFH-UHFFFAOYSA-N 2 2 253.375 0.046 20 0 CCADLP COCC[N@H+](C)Cc1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630604025 370202368 /nfs/dbraw/zinc/20/23/68/370202368.db2.gz ONBVJXYHGUKLBB-LLVKDONJSA-N 2 2 253.350 0.108 20 0 CCADLP COCC[N@@H+](C)Cc1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630604025 370202373 /nfs/dbraw/zinc/20/23/73/370202373.db2.gz ONBVJXYHGUKLBB-LLVKDONJSA-N 2 2 253.350 0.108 20 0 CCADLP CC[NH+]1CCC([NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)CC1 ZINC000631035463 370364863 /nfs/dbraw/zinc/36/48/63/370364863.db2.gz PFXXRBKEVPTJRS-ZDUSSCGKSA-N 2 2 293.415 0.889 20 0 CCADLP Cc1nc(NC[C@@H](c2ccco2)[NH+](C)C)nc(N)[nH+]1 ZINC000631035860 370365632 /nfs/dbraw/zinc/36/56/32/370365632.db2.gz BFGNCCAXSIVOLC-VIFPVBQESA-N 2 2 262.317 0.322 20 0 CCADLP Cc1nc(NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)nc(N)[nH+]1 ZINC000631058357 370371483 /nfs/dbraw/zinc/37/14/83/370371483.db2.gz BSYKTAFNHJVWMO-UWVGGRQHSA-N 2 2 264.377 0.547 20 0 CCADLP Cc1nc(NC[C@H](C)[N@H+]2CCC[C@H](C)C2)nc(N)[nH+]1 ZINC000631058357 370371487 /nfs/dbraw/zinc/37/14/87/370371487.db2.gz BSYKTAFNHJVWMO-UWVGGRQHSA-N 2 2 264.377 0.547 20 0 CCADLP Cc1nc(NCC[NH+]2Cc3ccccc3C2)nc(N)[nH+]1 ZINC000631079842 370377988 /nfs/dbraw/zinc/37/79/88/370377988.db2.gz PMEXDEJGPRDLOM-UHFFFAOYSA-N 2 2 270.340 0.442 20 0 CCADLP O=c1ccc(C[NH2+][C@H]2CCC[N@@H+](CCCO)C2)c[nH]1 ZINC000631147580 370400240 /nfs/dbraw/zinc/40/02/40/370400240.db2.gz RUNNUDWWLNWRAT-ZDUSSCGKSA-N 2 2 265.357 0.724 20 0 CCADLP O=c1ccc(C[NH2+][C@H]2CCC[N@H+](CCCO)C2)c[nH]1 ZINC000631147580 370400243 /nfs/dbraw/zinc/40/02/43/370400243.db2.gz RUNNUDWWLNWRAT-ZDUSSCGKSA-N 2 2 265.357 0.724 20 0 CCADLP CC[N@@H+]1C[C@@H](C)N(c2nc(C)[nH+]c(N)n2)C[C@@H]1C ZINC000631187097 370416112 /nfs/dbraw/zinc/41/61/12/370416112.db2.gz YVBURKYIBFYSAX-DTWKUNHWSA-N 2 2 250.350 0.511 20 0 CCADLP CC[N@H+]1C[C@@H](C)N(c2nc(C)[nH+]c(N)n2)C[C@@H]1C ZINC000631187097 370416118 /nfs/dbraw/zinc/41/61/18/370416118.db2.gz YVBURKYIBFYSAX-DTWKUNHWSA-N 2 2 250.350 0.511 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000631582178 370599180 /nfs/dbraw/zinc/59/91/80/370599180.db2.gz YKQVEYXIFNXJQA-AJNGGQMLSA-N 2 2 279.428 0.779 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000631582178 370599184 /nfs/dbraw/zinc/59/91/84/370599184.db2.gz YKQVEYXIFNXJQA-AJNGGQMLSA-N 2 2 279.428 0.779 20 0 CCADLP O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000332898937 284237307 /nfs/dbraw/zinc/23/73/07/284237307.db2.gz MQYDAWHEZSTBHA-RYUDHWBXSA-N 2 2 289.383 0.757 20 0 CCADLP O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000332898937 284237309 /nfs/dbraw/zinc/23/73/09/284237309.db2.gz MQYDAWHEZSTBHA-RYUDHWBXSA-N 2 2 289.383 0.757 20 0 CCADLP O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000332898937 284237310 /nfs/dbraw/zinc/23/73/10/284237310.db2.gz MQYDAWHEZSTBHA-RYUDHWBXSA-N 2 2 289.383 0.757 20 0 CCADLP O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000332898937 284237313 /nfs/dbraw/zinc/23/73/13/284237313.db2.gz MQYDAWHEZSTBHA-RYUDHWBXSA-N 2 2 289.383 0.757 20 0 CCADLP C[NH+](C)C1(CS(=O)(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC000632346692 370997914 /nfs/dbraw/zinc/99/79/14/370997914.db2.gz OQDIKBVUWDDIBB-UHFFFAOYSA-N 2 2 284.385 0.123 20 0 CCADLP C[C@@H]1C[C@@H](NS(=O)(=O)CC2([NH+](C)C)CC2)c2[nH+]ccn21 ZINC000632417160 371049626 /nfs/dbraw/zinc/04/96/26/371049626.db2.gz PXYVLYACBKAMPF-GHMZBOCLSA-N 2 2 298.412 0.903 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632543930 371130465 /nfs/dbraw/zinc/13/04/65/371130465.db2.gz QZNHWXLVQNLFEO-UHFFFAOYSA-N 2 2 272.374 0.266 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632543930 371130468 /nfs/dbraw/zinc/13/04/68/371130468.db2.gz QZNHWXLVQNLFEO-UHFFFAOYSA-N 2 2 272.374 0.266 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000567818376 291518628 /nfs/dbraw/zinc/51/86/28/291518628.db2.gz YSNHTZWQEDYZKM-TZMCWYRMSA-N 2 2 262.357 0.731 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632984695 371348246 /nfs/dbraw/zinc/34/82/46/371348246.db2.gz CYOUAUJYZZHJEF-UHFFFAOYSA-N 2 2 253.350 0.891 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632984695 371348251 /nfs/dbraw/zinc/34/82/51/371348251.db2.gz CYOUAUJYZZHJEF-UHFFFAOYSA-N 2 2 253.350 0.891 20 0 CCADLP COCC[NH+]1CCC(NC(=O)N(C)Cc2[nH]cc[nH+]2)CC1 ZINC000633081655 371388139 /nfs/dbraw/zinc/38/81/39/371388139.db2.gz LANIYUGMOVAOBP-UHFFFAOYSA-N 2 2 295.387 0.662 20 0 CCADLP CCOCC[NH+]1CCN(CCn2cc[nH+]c2C)CC1 ZINC000336802473 213658865 /nfs/dbraw/zinc/65/88/65/213658865.db2.gz URMZKHPOVFQZCP-UHFFFAOYSA-N 2 2 266.389 0.846 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000633481120 371567666 /nfs/dbraw/zinc/56/76/66/371567666.db2.gz HVXYWNKPJXKAKN-GFCCVEGCSA-N 2 2 280.372 0.305 20 0 CCADLP CC(C)COCC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000337321213 214004333 /nfs/dbraw/zinc/00/43/33/214004333.db2.gz BVRSHFSMGCDTRL-UHFFFAOYSA-N 2 2 297.443 0.899 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCC[NH+]1CCCC1 ZINC000337365755 214032669 /nfs/dbraw/zinc/03/26/69/214032669.db2.gz KHODFOZCQQMYPN-AWEZNQCLSA-N 2 2 298.431 0.492 20 0 CCADLP C[N@H+](C[C@H](O)CNCc1cn2c([nH+]1)CCCC2)C1CC1 ZINC000574392645 335015456 /nfs/dbraw/zinc/01/54/56/335015456.db2.gz DPLKCBSIECRXMG-CQSZACIVSA-N 2 2 278.400 0.764 20 0 CCADLP C[N@@H+](C[C@H](O)CNCc1cn2c([nH+]1)CCCC2)C1CC1 ZINC000574392645 335015458 /nfs/dbraw/zinc/01/54/58/335015458.db2.gz DPLKCBSIECRXMG-CQSZACIVSA-N 2 2 278.400 0.764 20 0 CCADLP COCCC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634195018 371944394 /nfs/dbraw/zinc/94/43/94/371944394.db2.gz NSLMEERMXNJHJK-UHFFFAOYSA-N 2 2 278.356 0.808 20 0 CCADLP OC[C@@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC000640044499 376209469 /nfs/dbraw/zinc/20/94/69/376209469.db2.gz UTNFUVWSSRRLAT-VHSXEESVSA-N 2 2 263.263 0.986 20 0 CCADLP C[C@](O)(C[C@H](O)C[NH2+]CCn1cc[nH+]c1)C1CC1 ZINC000634699796 372146340 /nfs/dbraw/zinc/14/63/40/372146340.db2.gz PEDJCURBDQKIJM-STQMWFEESA-N 2 2 253.346 0.385 20 0 CCADLP C[C@H](O)CNc1cc(N2CCC(C[NH3+])CC2)nc[nH+]1 ZINC000634808061 372247974 /nfs/dbraw/zinc/24/79/74/372247974.db2.gz ISRUKSKMAHDJKU-JTQLQIEISA-N 2 2 265.361 0.444 20 0 CCADLP C[C@H](O)CNc1cc(N2CCC(C[NH3+])CC2)[nH+]cn1 ZINC000634808061 372247982 /nfs/dbraw/zinc/24/79/82/372247982.db2.gz ISRUKSKMAHDJKU-JTQLQIEISA-N 2 2 265.361 0.444 20 0 CCADLP C[C@H](O)CNc1cc(N[C@@H]2CC[NH2+][C@H](C)C2)nc[nH+]1 ZINC000634808515 372249117 /nfs/dbraw/zinc/24/91/17/372249117.db2.gz VRDJXLXVVMMKMC-OUAUKWLOSA-N 2 2 265.361 0.822 20 0 CCADLP C[C@H](O)CNc1cc(N[C@@H]2CC[NH2+][C@H](C)C2)[nH+]cn1 ZINC000634808515 372249124 /nfs/dbraw/zinc/24/91/24/372249124.db2.gz VRDJXLXVVMMKMC-OUAUKWLOSA-N 2 2 265.361 0.822 20 0 CCADLP C[C@@H](O)CNc1cc(N[C@@H]2CCC[NH2+]CC2)nc[nH+]1 ZINC000634813803 372257850 /nfs/dbraw/zinc/25/78/50/372257850.db2.gz XWHNUZVEXZEPOJ-GHMZBOCLSA-N 2 2 265.361 0.823 20 0 CCADLP C[C@@H](O)CNc1cc(N[C@@H]2CCC[NH2+]CC2)[nH+]cn1 ZINC000634813803 372257858 /nfs/dbraw/zinc/25/78/58/372257858.db2.gz XWHNUZVEXZEPOJ-GHMZBOCLSA-N 2 2 265.361 0.823 20 0 CCADLP O=C1CC[C@@H]([NH2+]C[C@@H]2CCCC[N@H+]2CCO)CCN1 ZINC000634982421 372321762 /nfs/dbraw/zinc/32/17/62/372321762.db2.gz LHCAZLAXHJITMQ-OLZOCXBDSA-N 2 2 269.389 0.092 20 0 CCADLP O=C1CC[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)CCN1 ZINC000634982421 372321767 /nfs/dbraw/zinc/32/17/67/372321767.db2.gz LHCAZLAXHJITMQ-OLZOCXBDSA-N 2 2 269.389 0.092 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H](n1cncn1)C(F)(F)F ZINC000635023865 372351672 /nfs/dbraw/zinc/35/16/72/372351672.db2.gz SWWIJEKRESTLSC-IWSPIJDZSA-N 2 2 263.267 0.851 20 0 CCADLP CCc1c[nH]c(CC(=O)NCCC[NH+]2CCOCC2)[nH+]1 ZINC000635066719 372363036 /nfs/dbraw/zinc/36/30/36/372363036.db2.gz BEZNRKIIUBGQFO-UHFFFAOYSA-N 2 2 280.372 0.353 20 0 CCADLP CCc1c[nH]c(CC(=O)NCCC[N@H+](C)CCOC)[nH+]1 ZINC000635276805 372445119 /nfs/dbraw/zinc/44/51/19/372445119.db2.gz BCUUWTIPVACMNB-UHFFFAOYSA-N 2 2 282.388 0.599 20 0 CCADLP CCc1c[nH]c(CC(=O)NCCC[N@@H+](C)CCOC)[nH+]1 ZINC000635276805 372445121 /nfs/dbraw/zinc/44/51/21/372445121.db2.gz BCUUWTIPVACMNB-UHFFFAOYSA-N 2 2 282.388 0.599 20 0 CCADLP O=C(NCCCC[NH+]1CCOCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635333245 372464853 /nfs/dbraw/zinc/46/48/53/372464853.db2.gz QNYFXBOLVHEEOS-CHWSQXEVSA-N 2 2 292.383 0.742 20 0 CCADLP O=C(NCCCC[NH+]1CCOCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635333245 372464859 /nfs/dbraw/zinc/46/48/59/372464859.db2.gz QNYFXBOLVHEEOS-CHWSQXEVSA-N 2 2 292.383 0.742 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C23CCC[NH+](CCC2)C3)CCO1 ZINC000635464157 372534879 /nfs/dbraw/zinc/53/48/79/372534879.db2.gz DHVYQHGBVYDPPM-CQSZACIVSA-N 2 2 295.427 0.699 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C23CCC[NH+](CCC2)C3)CCO1 ZINC000635464157 372534884 /nfs/dbraw/zinc/53/48/84/372534884.db2.gz DHVYQHGBVYDPPM-CQSZACIVSA-N 2 2 295.427 0.699 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2c[nH+]ccc2N)C[C@H]1C ZINC000188187123 296185123 /nfs/dbraw/zinc/18/51/23/296185123.db2.gz VZVFPBMLLPSZOB-GHMZBOCLSA-N 2 2 278.356 0.191 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)c2c[nH+]ccc2N)C[C@H]1C ZINC000188187123 296185124 /nfs/dbraw/zinc/18/51/24/296185124.db2.gz VZVFPBMLLPSZOB-GHMZBOCLSA-N 2 2 278.356 0.191 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@@H]2CCC[N@H+](C)C2)[nH+]1 ZINC000635508259 372572259 /nfs/dbraw/zinc/57/22/59/372572259.db2.gz STVTWSQKYCQOSK-LLVKDONJSA-N 2 2 250.346 0.725 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000635508259 372572264 /nfs/dbraw/zinc/57/22/64/372572264.db2.gz STVTWSQKYCQOSK-LLVKDONJSA-N 2 2 250.346 0.725 20 0 CCADLP CCc1c[nH]c(CC(=O)NCC[NH+]2CCSCC2)[nH+]1 ZINC000635551295 372617421 /nfs/dbraw/zinc/61/74/21/372617421.db2.gz KZFZTKVYHARUHS-UHFFFAOYSA-N 2 2 282.413 0.680 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635555745 372621951 /nfs/dbraw/zinc/62/19/51/372621951.db2.gz HBXGMJAOQTWDMQ-HNNXBMFYSA-N 2 2 295.427 0.794 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635555745 372621954 /nfs/dbraw/zinc/62/19/54/372621954.db2.gz HBXGMJAOQTWDMQ-HNNXBMFYSA-N 2 2 295.427 0.794 20 0 CCADLP C[C@H](C(=O)N1CCC[C@H]1C[NH+]1CCOCC1)[NH+](C)C ZINC000635619591 372692156 /nfs/dbraw/zinc/69/21/56/372692156.db2.gz USLBBDQDAXCKDT-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@H](O)C[NH+]2CCCCC2)[nH+]1 ZINC000635712164 372799818 /nfs/dbraw/zinc/79/98/18/372799818.db2.gz XPAONSXLSDCQPW-ZDUSSCGKSA-N 2 2 294.399 0.478 20 0 CCADLP C[NH+](C)CC1(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000635714211 372804634 /nfs/dbraw/zinc/80/46/34/372804634.db2.gz BAXXVSFQWGHDSD-JTQLQIEISA-N 2 2 262.357 0.725 20 0 CCADLP C[NH+](C)CC1(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000635714211 372804639 /nfs/dbraw/zinc/80/46/39/372804639.db2.gz BAXXVSFQWGHDSD-JTQLQIEISA-N 2 2 262.357 0.725 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000333302091 205199753 /nfs/dbraw/zinc/19/97/53/205199753.db2.gz MMRJROLFEUWDBS-STQMWFEESA-N 2 2 292.383 0.282 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000333302091 205199757 /nfs/dbraw/zinc/19/97/57/205199757.db2.gz MMRJROLFEUWDBS-STQMWFEESA-N 2 2 292.383 0.282 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000333302085 205198566 /nfs/dbraw/zinc/19/85/66/205198566.db2.gz MMRJROLFEUWDBS-CHWSQXEVSA-N 2 2 292.383 0.282 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000333302085 205198569 /nfs/dbraw/zinc/19/85/69/205198569.db2.gz MMRJROLFEUWDBS-CHWSQXEVSA-N 2 2 292.383 0.282 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1NCc1n[nH]c(C2CC[NH2+]CC2)n1 ZINC000333463039 205342717 /nfs/dbraw/zinc/34/27/17/205342717.db2.gz GXCNNMBDGRDIJI-JQWIXIFHSA-N 2 2 278.404 0.311 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1NCc1n[nH]c(C2CC[NH2+]CC2)n1 ZINC000333463039 205342720 /nfs/dbraw/zinc/34/27/20/205342720.db2.gz GXCNNMBDGRDIJI-JQWIXIFHSA-N 2 2 278.404 0.311 20 0 CCADLP C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333463039 205342723 /nfs/dbraw/zinc/34/27/23/205342723.db2.gz GXCNNMBDGRDIJI-JQWIXIFHSA-N 2 2 278.404 0.311 20 0 CCADLP Cc1nc(N)c(CNC(=O)C[C@H]2CC[N@@H+](C)C2)c[nH+]1 ZINC000635921855 373109151 /nfs/dbraw/zinc/10/91/51/373109151.db2.gz OKRZLXLGCCJHKD-SNVBAGLBSA-N 2 2 263.345 0.156 20 0 CCADLP Cc1nc(N)c(CNC(=O)C[C@H]2CC[N@H+](C)C2)c[nH+]1 ZINC000635921855 373109153 /nfs/dbraw/zinc/10/91/53/373109153.db2.gz OKRZLXLGCCJHKD-SNVBAGLBSA-N 2 2 263.345 0.156 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)[nH+]1 ZINC000635953575 373150641 /nfs/dbraw/zinc/15/06/41/373150641.db2.gz HUDWGVDGNUCUNU-JQWIXIFHSA-N 2 2 262.357 0.677 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)[nH+]1 ZINC000635953575 373150651 /nfs/dbraw/zinc/15/06/51/373150651.db2.gz HUDWGVDGNUCUNU-JQWIXIFHSA-N 2 2 262.357 0.677 20 0 CCADLP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000635943858 373135091 /nfs/dbraw/zinc/13/50/91/373135091.db2.gz RULAMHOGDZQSLG-UHFFFAOYSA-N 2 2 292.383 0.653 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000636099255 373356470 /nfs/dbraw/zinc/35/64/70/373356470.db2.gz QEWXSRWFMDAOLH-NWDGAFQWSA-N 2 2 264.373 0.808 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000636099256 373356716 /nfs/dbraw/zinc/35/67/16/373356716.db2.gz QEWXSRWFMDAOLH-RYUDHWBXSA-N 2 2 264.373 0.808 20 0 CCADLP C[C@H](C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1)[NH+](C)C ZINC000636306835 373534792 /nfs/dbraw/zinc/53/47/92/373534792.db2.gz ZKDVOLCKMGFXGP-CYBMUJFWSA-N 2 2 291.395 0.987 20 0 CCADLP C[C@@H](CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)[N@H+](C)C1CC1 ZINC000636731571 373727337 /nfs/dbraw/zinc/72/73/37/373727337.db2.gz QGYCWCFHSJGEQZ-WDEREUQCSA-N 2 2 277.372 0.590 20 0 CCADLP C[C@@H](CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)[N@@H+](C)C1CC1 ZINC000636731571 373727342 /nfs/dbraw/zinc/72/73/42/373727342.db2.gz QGYCWCFHSJGEQZ-WDEREUQCSA-N 2 2 277.372 0.590 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)NC(C)(C)C[NH+](C)C ZINC000637336966 374109457 /nfs/dbraw/zinc/10/94/57/374109457.db2.gz CWVHEZYYTVXVKO-NSHDSACASA-N 2 2 257.378 0.164 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)NC(C)(C)C[NH+](C)C ZINC000637336966 374109461 /nfs/dbraw/zinc/10/94/61/374109461.db2.gz CWVHEZYYTVXVKO-NSHDSACASA-N 2 2 257.378 0.164 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000637442530 374162396 /nfs/dbraw/zinc/16/23/96/374162396.db2.gz RCXIAWRDQFLFQW-ZIAGYGMSSA-N 2 2 298.431 0.441 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000637442530 374162402 /nfs/dbraw/zinc/16/24/02/374162402.db2.gz RCXIAWRDQFLFQW-ZIAGYGMSSA-N 2 2 298.431 0.441 20 0 CCADLP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000637442530 374162404 /nfs/dbraw/zinc/16/24/04/374162404.db2.gz RCXIAWRDQFLFQW-ZIAGYGMSSA-N 2 2 298.431 0.441 20 0 CCADLP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000637442530 374162406 /nfs/dbraw/zinc/16/24/06/374162406.db2.gz RCXIAWRDQFLFQW-ZIAGYGMSSA-N 2 2 298.431 0.441 20 0 CCADLP CC(C)[NH2+]C1CCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000637447816 374175429 /nfs/dbraw/zinc/17/54/29/374175429.db2.gz RHRYFDAPKHCHCK-CQSZACIVSA-N 2 2 298.431 0.489 20 0 CCADLP CC(C)[NH2+]C1CCN(C(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000637447816 374175435 /nfs/dbraw/zinc/17/54/35/374175435.db2.gz RHRYFDAPKHCHCK-CQSZACIVSA-N 2 2 298.431 0.489 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC[C@@H]1CCC[NH2+]C1)CC2 ZINC000637814197 374347887 /nfs/dbraw/zinc/34/78/87/374347887.db2.gz IWSWDQUGXCJYOG-OLZOCXBDSA-N 2 2 276.384 0.870 20 0 CCADLP C[C@H](C[NH3+])N(C)C(=O)[C@H]([NH3+])CN(C)Cc1ccccc1 ZINC000637841751 374391683 /nfs/dbraw/zinc/39/16/83/374391683.db2.gz MJVTYBHTNBOXQM-TZMCWYRMSA-N 2 2 278.400 0.251 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@](C)(C[NH3+])C1CC1)CC2 ZINC000637843187 374396414 /nfs/dbraw/zinc/39/64/14/374396414.db2.gz UOANYCVLOVRPAO-ABAIWWIYSA-N 2 2 276.384 0.998 20 0 CCADLP CC(C)[NH+](CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O)C(C)C ZINC000638047983 374589453 /nfs/dbraw/zinc/58/94/53/374589453.db2.gz LNGZSQIOHQFQJJ-ZDUSSCGKSA-N 2 2 298.431 0.042 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638069240 374615974 /nfs/dbraw/zinc/61/59/74/374615974.db2.gz NUPBVAOBMJLAQE-HNNXBMFYSA-N 2 2 292.383 0.519 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638069241 374616262 /nfs/dbraw/zinc/61/62/62/374616262.db2.gz NUPBVAOBMJLAQE-OAHLLOKOSA-N 2 2 292.383 0.519 20 0 CCADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000638069694 374616284 /nfs/dbraw/zinc/61/62/84/374616284.db2.gz RROXUVJJJSJYRU-SWLSCSKDSA-N 2 2 292.383 0.531 20 0 CCADLP Cn1cc[nH+]c1-c1cccc(NC(=O)CN2CC[NH2+]CC2)c1 ZINC000638071152 374622434 /nfs/dbraw/zinc/62/24/34/374622434.db2.gz GBBUGIRVXREZBJ-UHFFFAOYSA-N 2 2 299.378 0.931 20 0 CCADLP [NH3+]Cc1ncc(C(=O)N2CC[NH+](CC3CC3)CC2)cn1 ZINC000638072630 374623616 /nfs/dbraw/zinc/62/36/16/374623616.db2.gz UAGLZHBRHMXQLC-UHFFFAOYSA-N 2 2 275.356 0.103 20 0 CCADLP [NH3+][C@@H]1CCO[C@@H]1C(=O)NCCCNc1cccc[nH+]1 ZINC000638073728 374626483 /nfs/dbraw/zinc/62/64/83/374626483.db2.gz WZPNTTLRAAIQPX-PWSUYJOCSA-N 2 2 264.329 0.116 20 0 CCADLP CC(C)CC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000638089790 374650748 /nfs/dbraw/zinc/65/07/48/374650748.db2.gz DEENAMGTUSDPKD-QWHCGFSZSA-N 2 2 271.405 0.587 20 0 CCADLP CC(C)CC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000638089790 374650753 /nfs/dbraw/zinc/65/07/53/374650753.db2.gz DEENAMGTUSDPKD-QWHCGFSZSA-N 2 2 271.405 0.587 20 0 CCADLP COc1cccc(C[C@@H]([NH3+])C(=O)NCc2[nH+]ccn2C)c1 ZINC000638104403 374669828 /nfs/dbraw/zinc/66/98/28/374669828.db2.gz ZJUVXOFURNGYFG-CYBMUJFWSA-N 2 2 288.351 0.615 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC[C@@H](C)C[NH3+])CC2 ZINC000638141373 374710980 /nfs/dbraw/zinc/71/09/80/374710980.db2.gz JDUWBBDYJQEHCB-ONGXEEELSA-N 2 2 250.346 0.465 20 0 CCADLP COc1cccc(C[C@@H]([NH3+])C(=O)N2CC[NH+](C)CC2)c1 ZINC000638148903 374719858 /nfs/dbraw/zinc/71/98/58/374719858.db2.gz APGCUWQETAIANS-CQSZACIVSA-N 2 2 277.368 0.339 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@@](C)(C[NH3+])C2)[nH+]1 ZINC000638220463 374806974 /nfs/dbraw/zinc/80/69/74/374806974.db2.gz QHCNMKGJOAGBSR-ZDUSSCGKSA-N 2 2 250.346 0.712 20 0 CCADLP [NH3+][C@H](C(=O)NCC[C@H]1CCC[NH2+]C1)c1cscn1 ZINC000568619514 291607207 /nfs/dbraw/zinc/60/72/07/291607207.db2.gz BHKKZULUHDSGFI-KOLCDFICSA-N 2 2 268.386 0.649 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@H](CC[NH3+])C(F)F)CC2 ZINC000638256845 374852439 /nfs/dbraw/zinc/85/24/39/374852439.db2.gz UKPOCRWGYLEBPZ-VHSXEESVSA-N 2 2 286.326 0.853 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@@H](CC[NH3+])C(F)F)[nH+]1 ZINC000638260178 374856865 /nfs/dbraw/zinc/85/68/65/374856865.db2.gz WHRIXTWIVURLMD-QMMMGPOBSA-N 2 2 260.288 0.613 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)[nH+]1 ZINC000638339786 374941330 /nfs/dbraw/zinc/94/13/30/374941330.db2.gz DLNOCKSPELQDJZ-MNOVXSKESA-N 2 2 264.373 0.958 20 0 CCADLP C[C@@](C[NH3+])([NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CC1 ZINC000568630767 291610083 /nfs/dbraw/zinc/61/00/83/291610083.db2.gz RHCGLJLEDLSPMP-JYJNAYRXSA-N 3 2 277.412 0.634 20 0 CCADLP COc1cccc(C[C@@H]([NH3+])C(=O)N(C)Cc2c[nH+]c[nH]2)c1 ZINC000638402210 374999706 /nfs/dbraw/zinc/99/97/06/374999706.db2.gz JLZQOPDGEASISF-CQSZACIVSA-N 2 2 288.351 0.947 20 0 CCADLP COc1cccc(C[C@@H]([NH3+])C(=O)N(C)Cc2c[nH]c[nH+]2)c1 ZINC000638402210 374999714 /nfs/dbraw/zinc/99/97/14/374999714.db2.gz JLZQOPDGEASISF-CQSZACIVSA-N 2 2 288.351 0.947 20 0 CCADLP O=C(CCC1C[NH2+]C1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000638427168 375024647 /nfs/dbraw/zinc/02/46/47/375024647.db2.gz UCTLWYBVOSVXEX-UHFFFAOYSA-N 2 2 295.427 0.557 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NCC13CC(C1)C[NH2+]3)CC2 ZINC000638428074 375026568 /nfs/dbraw/zinc/02/65/68/375026568.db2.gz QFDBCIPERJRNGV-MQYJIDSJSA-N 2 2 274.368 0.622 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638428664 375026817 /nfs/dbraw/zinc/02/68/17/375026817.db2.gz XWSWILNIEBVVAE-GXFFZTMASA-N 2 2 266.345 0.459 20 0 CCADLP COCC[N@H+](C)CC[NH2+]C[C@@H](OC)[C@@H]1CCOC1 ZINC000638483343 375077008 /nfs/dbraw/zinc/07/70/08/375077008.db2.gz KBQBIDPFNZODFF-CHWSQXEVSA-N 2 2 260.378 0.206 20 0 CCADLP COCC[N@@H+](C)CC[NH2+]C[C@@H](OC)[C@@H]1CCOC1 ZINC000638483343 375077017 /nfs/dbraw/zinc/07/70/17/375077017.db2.gz KBQBIDPFNZODFF-CHWSQXEVSA-N 2 2 260.378 0.206 20 0 CCADLP C[N@@H+]1CCC[C@H]1C[NH2+]CC(C)(C)N1CCOCC1 ZINC000638443506 375048423 /nfs/dbraw/zinc/04/84/23/375048423.db2.gz OOSWLDVURHKTEX-ZDUSSCGKSA-N 2 2 255.406 0.781 20 0 CCADLP C[N@H+]1CCC[C@H]1C[NH2+]CC(C)(C)N1CCOCC1 ZINC000638443506 375048427 /nfs/dbraw/zinc/04/84/27/375048427.db2.gz OOSWLDVURHKTEX-ZDUSSCGKSA-N 2 2 255.406 0.781 20 0 CCADLP C[NH2+]CCOCCN(C)C(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000638594147 375175607 /nfs/dbraw/zinc/17/56/07/375175607.db2.gz JQQHZHQJXUTDAD-CYBMUJFWSA-N 2 2 294.399 0.448 20 0 CCADLP CO[C@@](C)(C[NH2+]C[C@H]1C[N@H+](C)CCN1C)C1CC1 ZINC000638597455 375177058 /nfs/dbraw/zinc/17/70/58/375177058.db2.gz WQWNASQHPOZGCG-KBPBESRZSA-N 2 2 255.406 0.637 20 0 CCADLP CO[C@@](C)(C[NH2+]C[C@H]1C[N@@H+](C)CCN1C)C1CC1 ZINC000638597455 375177067 /nfs/dbraw/zinc/17/70/67/375177067.db2.gz WQWNASQHPOZGCG-KBPBESRZSA-N 2 2 255.406 0.637 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C[NH2+]1 ZINC000638652782 375256344 /nfs/dbraw/zinc/25/63/44/375256344.db2.gz UVUXBPQGBRPNKX-UMVBOHGHSA-N 2 2 295.427 0.887 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C[NH2+]1 ZINC000638652782 375256351 /nfs/dbraw/zinc/25/63/51/375256351.db2.gz UVUXBPQGBRPNKX-UMVBOHGHSA-N 2 2 295.427 0.887 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000638608943 375190363 /nfs/dbraw/zinc/19/03/63/375190363.db2.gz DFXUFBQHGDKIAO-LBPRGKRZSA-N 2 2 267.373 0.108 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000638608943 375190368 /nfs/dbraw/zinc/19/03/68/375190368.db2.gz DFXUFBQHGDKIAO-LBPRGKRZSA-N 2 2 267.373 0.108 20 0 CCADLP Cc1[nH+]c2ccccc2n1CC(=O)NC[C@H]1COCC[NH2+]1 ZINC000638616234 375204358 /nfs/dbraw/zinc/20/43/58/375204358.db2.gz OYYHHUMJHWEUOV-LBPRGKRZSA-N 2 2 288.351 0.449 20 0 CCADLP CN(CCOCC[NH3+])C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000638673059 375275712 /nfs/dbraw/zinc/27/57/12/375275712.db2.gz NVWFPRZVQYKDMN-AWEZNQCLSA-N 2 2 299.415 0.064 20 0 CCADLP CN(CCOCC[NH3+])C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000638673059 375275716 /nfs/dbraw/zinc/27/57/16/375275716.db2.gz NVWFPRZVQYKDMN-AWEZNQCLSA-N 2 2 299.415 0.064 20 0 CCADLP CC(C)C[C@@H](C(=O)N(C)CCOCC[NH3+])n1cc[nH+]c1 ZINC000638674933 375278986 /nfs/dbraw/zinc/27/89/86/375278986.db2.gz ZVCPIUTUPXOSHI-ZDUSSCGKSA-N 2 2 282.388 0.904 20 0 CCADLP Cc1[nH+]c2ccccc2n1CC(=O)NCCOCCC[NH3+] ZINC000638660729 375263437 /nfs/dbraw/zinc/26/34/37/375263437.db2.gz IPPMRDIYVJXWFC-UHFFFAOYSA-N 2 2 290.367 0.826 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC[C@H]1CNc2ccccc21 ZINC000638872195 375417018 /nfs/dbraw/zinc/41/70/18/375417018.db2.gz GFYBDYLTWFHATE-JSGCOSHPSA-N 2 2 290.411 0.981 20 0 CCADLP C[NH+](C)CC1(C[NH2+]Cc2cnc(N)nc2N)CCCC1 ZINC000639047884 375545576 /nfs/dbraw/zinc/54/55/76/375545576.db2.gz WAOMMCRJIURFPC-UHFFFAOYSA-N 2 2 278.404 0.513 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@H]2CC[C@H]([NH3+])CC2)[nH+]1 ZINC000639033338 375537048 /nfs/dbraw/zinc/53/70/48/375537048.db2.gz LNECPFYWHYOCQV-HOMQSWHASA-N 2 2 250.346 0.901 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638985175 375496828 /nfs/dbraw/zinc/49/68/28/375496828.db2.gz BILYZUNPARRVHH-GFCCVEGCSA-N 3 2 277.372 0.428 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987524 375499180 /nfs/dbraw/zinc/49/91/80/375499180.db2.gz SVWPPGLVBZKUQN-ZDUSSCGKSA-N 3 2 277.372 0.413 20 0 CCADLP [NH3+]C1(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)CCCC1 ZINC000638987262 375499738 /nfs/dbraw/zinc/49/97/38/375499738.db2.gz NNZFVNPPQMWBDO-UHFFFAOYSA-N 3 2 289.383 0.701 20 0 CCADLP CC[N@H+](CCO)CC[NH2+][C@@H](C)Cc1ccnc(OC)c1 ZINC000639052642 375549140 /nfs/dbraw/zinc/54/91/40/375549140.db2.gz DHLDYQZWOKDCKW-ZDUSSCGKSA-N 2 2 281.400 0.925 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+][C@@H](C)Cc1ccnc(OC)c1 ZINC000639052642 375549144 /nfs/dbraw/zinc/54/91/44/375549144.db2.gz DHLDYQZWOKDCKW-ZDUSSCGKSA-N 2 2 281.400 0.925 20 0 CCADLP CO[C@]1(C[NH+]2CCN(c3[nH+]ccn3C)CC2)CCOC1 ZINC000639333329 375732681 /nfs/dbraw/zinc/73/26/81/375732681.db2.gz VKJQNDNUJFBATM-AWEZNQCLSA-N 2 2 280.372 0.348 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccns1 ZINC000639349558 375750112 /nfs/dbraw/zinc/75/01/12/375750112.db2.gz NVEHBXGNQBMWLY-NSHDSACASA-N 2 2 268.386 0.573 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccns1 ZINC000639349558 375750119 /nfs/dbraw/zinc/75/01/19/375750119.db2.gz NVEHBXGNQBMWLY-NSHDSACASA-N 2 2 268.386 0.573 20 0 CCADLP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000639357607 375757137 /nfs/dbraw/zinc/75/71/37/375757137.db2.gz PCJCZYXVAHHYQT-UPJWGTAASA-N 2 2 269.389 0.090 20 0 CCADLP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000639357607 375757139 /nfs/dbraw/zinc/75/71/39/375757139.db2.gz PCJCZYXVAHHYQT-UPJWGTAASA-N 2 2 269.389 0.090 20 0 CCADLP COC[C@@H]([NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1)C1CC1 ZINC000639371681 375768025 /nfs/dbraw/zinc/76/80/25/375768025.db2.gz UOPUHCUGDCEWPS-YJNKXOJESA-N 2 2 268.401 0.989 20 0 CCADLP COC[C@@H]([NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1)C1CC1 ZINC000639371681 375768032 /nfs/dbraw/zinc/76/80/32/375768032.db2.gz UOPUHCUGDCEWPS-YJNKXOJESA-N 2 2 268.401 0.989 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC2(C1)CCCOC2 ZINC000656699866 412841834 /nfs/dbraw/zinc/84/18/34/412841834.db2.gz IWIADVYDNIYCKA-ZDUSSCGKSA-N 2 2 256.390 0.800 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC2(C1)CCCOC2 ZINC000656699866 412841835 /nfs/dbraw/zinc/84/18/35/412841835.db2.gz IWIADVYDNIYCKA-ZDUSSCGKSA-N 2 2 256.390 0.800 20 0 CCADLP CCC(=O)N1CCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)CC1 ZINC000656698979 412842658 /nfs/dbraw/zinc/84/26/58/412842658.db2.gz DLQSOCQWCPMTDS-AWEZNQCLSA-N 2 2 285.432 0.632 20 0 CCADLP CCC(=O)N1CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)CC1 ZINC000656698979 412842661 /nfs/dbraw/zinc/84/26/61/412842661.db2.gz DLQSOCQWCPMTDS-AWEZNQCLSA-N 2 2 285.432 0.632 20 0 CCADLP CCC(=O)N1CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000656698979 412842662 /nfs/dbraw/zinc/84/26/62/412842662.db2.gz DLQSOCQWCPMTDS-AWEZNQCLSA-N 2 2 285.432 0.632 20 0 CCADLP CCC(=O)N1CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000656698979 412842665 /nfs/dbraw/zinc/84/26/65/412842665.db2.gz DLQSOCQWCPMTDS-AWEZNQCLSA-N 2 2 285.432 0.632 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000639640231 375880864 /nfs/dbraw/zinc/88/08/64/375880864.db2.gz BHSZIGOZGRJWDD-CQSZACIVSA-N 2 2 265.357 0.844 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000639640231 375880868 /nfs/dbraw/zinc/88/08/68/375880868.db2.gz BHSZIGOZGRJWDD-CQSZACIVSA-N 2 2 265.357 0.844 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH2+]Cc1c(C2CC2)cnn1C ZINC000656710229 412845685 /nfs/dbraw/zinc/84/56/85/412845685.db2.gz VFZTTYAJWVLIFN-ZDUSSCGKSA-N 2 2 296.415 0.326 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+]Cc1c(C2CC2)cnn1C ZINC000656710229 412845687 /nfs/dbraw/zinc/84/56/87/412845687.db2.gz VFZTTYAJWVLIFN-ZDUSSCGKSA-N 2 2 296.415 0.326 20 0 CCADLP c1nn[nH]c1C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683634 375915503 /nfs/dbraw/zinc/91/55/03/375915503.db2.gz JKRCMODNUANYKA-UHFFFAOYSA-N 2 2 258.329 0.912 20 0 CCADLP c1nn[nH]c1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683634 375915513 /nfs/dbraw/zinc/91/55/13/375915513.db2.gz JKRCMODNUANYKA-UHFFFAOYSA-N 2 2 258.329 0.912 20 0 CCADLP c1[nH]nnc1C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683634 375915519 /nfs/dbraw/zinc/91/55/19/375915519.db2.gz JKRCMODNUANYKA-UHFFFAOYSA-N 2 2 258.329 0.912 20 0 CCADLP c1[nH]nnc1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683634 375915528 /nfs/dbraw/zinc/91/55/28/375915528.db2.gz JKRCMODNUANYKA-UHFFFAOYSA-N 2 2 258.329 0.912 20 0 CCADLP c1n[nH]nc1C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683634 375915536 /nfs/dbraw/zinc/91/55/36/375915536.db2.gz JKRCMODNUANYKA-UHFFFAOYSA-N 2 2 258.329 0.912 20 0 CCADLP c1n[nH]nc1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683634 375915543 /nfs/dbraw/zinc/91/55/43/375915543.db2.gz JKRCMODNUANYKA-UHFFFAOYSA-N 2 2 258.329 0.912 20 0 CCADLP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764462 375992710 /nfs/dbraw/zinc/99/27/10/375992710.db2.gz VQIOGCBDBXIZIP-KCQAQPDRSA-N 2 2 285.432 0.678 20 0 CCADLP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764462 375992718 /nfs/dbraw/zinc/99/27/18/375992718.db2.gz VQIOGCBDBXIZIP-KCQAQPDRSA-N 2 2 285.432 0.678 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)CC1 ZINC000639760173 375982874 /nfs/dbraw/zinc/98/28/74/375982874.db2.gz SXEBIPJKYNRQKJ-UHFFFAOYSA-N 3 2 294.443 0.178 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC3(C2)CC[NH+](C)CC3)CC1 ZINC000639760173 375982877 /nfs/dbraw/zinc/98/28/77/375982877.db2.gz SXEBIPJKYNRQKJ-UHFFFAOYSA-N 3 2 294.443 0.178 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCOC[C@@H]2CCCO2)C1 ZINC000639761047 375985515 /nfs/dbraw/zinc/98/55/15/375985515.db2.gz FEYPYKBYDFLNQZ-LSDHHAIUSA-N 2 2 286.416 0.571 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCOC[C@@H]2CCCO2)C1 ZINC000639761047 375985521 /nfs/dbraw/zinc/98/55/21/375985521.db2.gz FEYPYKBYDFLNQZ-LSDHHAIUSA-N 2 2 286.416 0.571 20 0 CCADLP CC(C)[NH+]1CCN(CCCN2CC[N@H+](C)C[C@H]2CO)CC1 ZINC000639873254 376108668 /nfs/dbraw/zinc/10/86/68/376108668.db2.gz XGUSCKBUZJYQBP-INIZCTEOSA-N 2 2 298.475 0.011 20 0 CCADLP CC(C)[NH+]1CCN(CCCN2CC[N@@H+](C)C[C@H]2CO)CC1 ZINC000639873254 376108671 /nfs/dbraw/zinc/10/86/71/376108671.db2.gz XGUSCKBUZJYQBP-INIZCTEOSA-N 2 2 298.475 0.011 20 0 CCADLP C[C@]12C[NH+](CCCn3cc[nH+]c3)C[C@]1(C)C(=O)NC2=O ZINC000639949979 376148052 /nfs/dbraw/zinc/14/80/52/376148052.db2.gz PRDALVUNYFWTEH-ZIAGYGMSSA-N 2 2 276.340 0.258 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(CO)cc1 ZINC000640051027 376215814 /nfs/dbraw/zinc/21/58/14/376215814.db2.gz CYESICUPWCTEOU-UHFFFAOYSA-N 2 2 291.395 0.385 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(CO)cc1 ZINC000640051027 376215819 /nfs/dbraw/zinc/21/58/19/376215819.db2.gz CYESICUPWCTEOU-UHFFFAOYSA-N 2 2 291.395 0.385 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)CC1CCCC1 ZINC000640051068 376216115 /nfs/dbraw/zinc/21/61/15/376216115.db2.gz FMSRMEFIXUEZIY-OAHLLOKOSA-N 2 2 297.443 0.633 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)CC1CCCC1 ZINC000640051068 376216121 /nfs/dbraw/zinc/21/61/21/376216121.db2.gz FMSRMEFIXUEZIY-OAHLLOKOSA-N 2 2 297.443 0.633 20 0 CCADLP C[N@H+](CCO[C@@H]1CC1(F)F)CC(=O)N1CC[NH+](C)CC1 ZINC000640062654 376222184 /nfs/dbraw/zinc/22/21/84/376222184.db2.gz OMRWGAANCYDARF-LLVKDONJSA-N 2 2 291.342 0.116 20 0 CCADLP C[N@@H+](CCO[C@@H]1CC1(F)F)CC(=O)N1CC[NH+](C)CC1 ZINC000640062654 376222188 /nfs/dbraw/zinc/22/21/88/376222188.db2.gz OMRWGAANCYDARF-LLVKDONJSA-N 2 2 291.342 0.116 20 0 CCADLP O=C(N[C@H](CO)C[NH+]1CCCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000640320348 376307776 /nfs/dbraw/zinc/30/77/76/376307776.db2.gz PLVTVXZTKFPLJM-STQMWFEESA-N 2 2 292.383 0.018 20 0 CCADLP O=C([C@@H]1CSC[NH2+]1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000334327037 206375836 /nfs/dbraw/zinc/37/58/36/206375836.db2.gz BTPVIIHXCGNUMS-NSHDSACASA-N 2 2 266.370 0.778 20 0 CCADLP O=C([C@@H]1CSC[NH2+]1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000334327037 206375839 /nfs/dbraw/zinc/37/58/39/206375839.db2.gz BTPVIIHXCGNUMS-NSHDSACASA-N 2 2 266.370 0.778 20 0 CCADLP Cc1cccn2cc(Cn3cc([C@H]([NH3+])CO)nn3)[nH+]c12 ZINC000640954366 376637231 /nfs/dbraw/zinc/63/72/31/376637231.db2.gz ZCLQOMBNSXLAGW-LLVKDONJSA-N 2 2 272.312 0.275 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000077120743 284585831 /nfs/dbraw/zinc/58/58/31/284585831.db2.gz VUWDRVZXANMXDJ-UHFFFAOYSA-N 2 2 262.357 0.746 20 0 CCADLP [NH3+][C@H](c1cn(CC[NH+]2CCOCC2)nn1)c1ccccc1 ZINC000641032268 376689039 /nfs/dbraw/zinc/68/90/39/376689039.db2.gz CJWQXGFBVYLIFT-HNNXBMFYSA-N 2 2 287.367 0.658 20 0 CCADLP COc1cc[nH+]c(Cn2cc(Cn3cc(C[NH3+])cn3)nn2)c1 ZINC000641031235 376689669 /nfs/dbraw/zinc/68/96/69/376689669.db2.gz ZAAPYKGDVRTPES-UHFFFAOYSA-N 2 2 299.338 0.434 20 0 CCADLP Cc1cc(Cn2cc(Cn3cc(C[NH3+])cn3)nn2)cc[nH+]1 ZINC000641088991 376764084 /nfs/dbraw/zinc/76/40/84/376764084.db2.gz LZIBBOKDMWOCEU-UHFFFAOYSA-N 2 2 283.339 0.733 20 0 CCADLP COCC[N@H+](C)Cc1cn(CCn2cc[nH+]c2)nn1 ZINC000641124154 376798529 /nfs/dbraw/zinc/79/85/29/376798529.db2.gz WNMFEKTWNVWOBL-UHFFFAOYSA-N 2 2 264.333 0.253 20 0 CCADLP COCC[N@@H+](C)Cc1cn(CCn2cc[nH+]c2)nn1 ZINC000641124154 376798538 /nfs/dbraw/zinc/79/85/38/376798538.db2.gz WNMFEKTWNVWOBL-UHFFFAOYSA-N 2 2 264.333 0.253 20 0 CCADLP Cc1cc(-n2cc[nH+]c2)ccc1Cn1cc([C@@H]([NH3+])CO)nn1 ZINC000641163758 376829396 /nfs/dbraw/zinc/82/93/96/376829396.db2.gz CIRPWGOEGSDJEQ-AWEZNQCLSA-N 2 2 298.350 0.813 20 0 CCADLP O=S(=O)(CCn1cc[nH+]c1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000641274514 376957727 /nfs/dbraw/zinc/95/77/27/376957727.db2.gz XVIDMIQQIBMVTJ-GFCCVEGCSA-N 2 2 298.412 0.287 20 0 CCADLP O=S(=O)(CCn1cc[nH+]c1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000641274514 376957733 /nfs/dbraw/zinc/95/77/33/376957733.db2.gz XVIDMIQQIBMVTJ-GFCCVEGCSA-N 2 2 298.412 0.287 20 0 CCADLP C[C@H](CNc1cc(CO)cc[nH+]1)C[NH+]1CCOCC1 ZINC000641386594 377056283 /nfs/dbraw/zinc/05/62/83/377056283.db2.gz HGWPRTXTMRJSKI-GFCCVEGCSA-N 2 2 265.357 0.954 20 0 CCADLP C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)CCn1cc[nH+]c1 ZINC000641510940 377198138 /nfs/dbraw/zinc/19/81/38/377198138.db2.gz JHMIRSQFKNBELX-NWDGAFQWSA-N 2 2 286.401 0.237 20 0 CCADLP Cc1nc(N(C)C)nc(N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)[nH+]1 ZINC000641649294 377361982 /nfs/dbraw/zinc/36/19/82/377361982.db2.gz YDVFTCOEEBTZBV-GHMZBOCLSA-N 2 2 278.404 0.809 20 0 CCADLP Cc1nc(N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)nc(N(C)C)[nH+]1 ZINC000641649294 377361989 /nfs/dbraw/zinc/36/19/89/377361989.db2.gz YDVFTCOEEBTZBV-GHMZBOCLSA-N 2 2 278.404 0.809 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccncc1N ZINC000641716222 377417053 /nfs/dbraw/zinc/41/70/53/377417053.db2.gz YRTVZUPUICKZJX-CYBMUJFWSA-N 2 2 264.373 0.864 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccncc1N ZINC000641716222 377417061 /nfs/dbraw/zinc/41/70/61/377417061.db2.gz YRTVZUPUICKZJX-CYBMUJFWSA-N 2 2 264.373 0.864 20 0 CCADLP CC[C@H](COC)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641787270 377463744 /nfs/dbraw/zinc/46/37/44/377463744.db2.gz OOOROGCBIAAENO-HZPDHXFCSA-N 2 2 299.459 0.798 20 0 CCADLP CNC(=O)Cc1nc(C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)cs1 ZINC000641802363 377473467 /nfs/dbraw/zinc/47/34/67/377473467.db2.gz JNPPTLDPRNJMMX-ZJUUUORDSA-N 2 2 282.413 0.647 20 0 CCADLP CNS(=O)(=O)CCC[N@@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000641805227 377476546 /nfs/dbraw/zinc/47/65/46/377476546.db2.gz DTBKQEFDQLAKCU-SRVKXCTJSA-N 2 2 277.434 0.373 20 0 CCADLP CNS(=O)(=O)CCC[N@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000641805227 377476550 /nfs/dbraw/zinc/47/65/50/377476550.db2.gz DTBKQEFDQLAKCU-SRVKXCTJSA-N 2 2 277.434 0.373 20 0 CCADLP C[C@H](NC(=O)N1CC[N@H+](C)C(C)(C)C1)[C@H]1C[NH+](C)CCO1 ZINC000641814502 377485883 /nfs/dbraw/zinc/48/58/83/377485883.db2.gz SCZCWUICOFYQND-QWHCGFSZSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@H](NC(=O)N1CC[N@@H+](C)C(C)(C)C1)[C@H]1C[NH+](C)CCO1 ZINC000641814502 377485893 /nfs/dbraw/zinc/48/58/93/377485893.db2.gz SCZCWUICOFYQND-QWHCGFSZSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@H](NC(=O)N1CC[NH+](C)C(C)(C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000641814502 377485898 /nfs/dbraw/zinc/48/58/98/377485898.db2.gz SCZCWUICOFYQND-QWHCGFSZSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@H](NC(=O)N1CC[NH+](C)C(C)(C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000641814502 377485907 /nfs/dbraw/zinc/48/59/07/377485907.db2.gz SCZCWUICOFYQND-QWHCGFSZSA-N 2 2 298.431 0.441 20 0 CCADLP CN(C)c1ncc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000427132864 249017082 /nfs/dbraw/zinc/01/70/82/249017082.db2.gz HYUDIVUDCPLUOA-QWHCGFSZSA-N 2 2 261.373 0.726 20 0 CCADLP CN(C)c1ncc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000427132864 249017084 /nfs/dbraw/zinc/01/70/84/249017084.db2.gz HYUDIVUDCPLUOA-QWHCGFSZSA-N 2 2 261.373 0.726 20 0 CCADLP COC[C@@H](C)CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000445935655 249028936 /nfs/dbraw/zinc/02/89/36/249028936.db2.gz SOZYFPQIRDDPPE-ZDUSSCGKSA-N 2 2 285.432 0.801 20 0 CCADLP C[N@H+](CCO)C1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492760926 249083469 /nfs/dbraw/zinc/08/34/69/249083469.db2.gz FKGFYHZODMSPLT-IHWYPQMZSA-N 2 2 278.356 0.338 20 0 CCADLP C[N@@H+](CCO)C1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492760926 249083472 /nfs/dbraw/zinc/08/34/72/249083472.db2.gz FKGFYHZODMSPLT-IHWYPQMZSA-N 2 2 278.356 0.338 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000514612680 249094299 /nfs/dbraw/zinc/09/42/99/249094299.db2.gz VNSBUSUEJSGFOM-HUUCEWRRSA-N 2 2 297.443 0.633 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000514612680 249094301 /nfs/dbraw/zinc/09/43/01/249094301.db2.gz VNSBUSUEJSGFOM-HUUCEWRRSA-N 2 2 297.443 0.633 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000514612680 249094303 /nfs/dbraw/zinc/09/43/03/249094303.db2.gz VNSBUSUEJSGFOM-HUUCEWRRSA-N 2 2 297.443 0.633 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000514612680 249094305 /nfs/dbraw/zinc/09/43/05/249094305.db2.gz VNSBUSUEJSGFOM-HUUCEWRRSA-N 2 2 297.443 0.633 20 0 CCADLP O=C1C[C@H]([NH2+][C@@H]2CC[NH2+]C2)CN1CCOc1ccccc1 ZINC000514660416 249097465 /nfs/dbraw/zinc/09/74/65/249097465.db2.gz JPLHJIRRLLMFGW-KGLIPLIRSA-N 2 2 289.379 0.618 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000514789587 249104703 /nfs/dbraw/zinc/10/47/03/249104703.db2.gz OIXLMOURAIFQAZ-VIFPVBQESA-N 2 2 260.301 0.129 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000514824962 249106397 /nfs/dbraw/zinc/10/63/97/249106397.db2.gz LVUUKJJELAHZFH-GXTWGEPZSA-N 2 2 297.424 0.553 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CO1 ZINC000514859960 249107728 /nfs/dbraw/zinc/10/77/28/249107728.db2.gz UFAIOBHSINTKDE-OLZOCXBDSA-N 2 2 298.431 0.489 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)C[C@H]1CCC[NH2+]1 ZINC000514936237 249112543 /nfs/dbraw/zinc/11/25/43/249112543.db2.gz LLIRXIQKDGHAOI-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCc3nnnn3CC2)n1C ZINC000516194745 249154992 /nfs/dbraw/zinc/15/49/92/249154992.db2.gz UYWMOFMHHAXVKK-SNVBAGLBSA-N 2 2 261.333 0.210 20 0 CCADLP [NH3+]C[C@H](NC(=O)NCc1ccn2cc[nH+]c2c1)C1CC1 ZINC000518344433 249246934 /nfs/dbraw/zinc/24/69/34/249246934.db2.gz DZRYHCBSNFRBJL-LBPRGKRZSA-N 2 2 273.340 0.871 20 0 CCADLP C[C@H](CNC(=O)[C@@H](C)[NH+]1CC(C)C1)N1CC[NH+](C)CC1 ZINC000517245567 249213159 /nfs/dbraw/zinc/21/31/59/249213159.db2.gz UPUFMQFNJGSUHU-ZIAGYGMSSA-N 2 2 282.432 0.079 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000518891209 249264769 /nfs/dbraw/zinc/26/47/69/249264769.db2.gz QLBZUGIIRFSBPH-HNNXBMFYSA-N 2 2 288.395 0.678 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000518891209 249264771 /nfs/dbraw/zinc/26/47/71/249264771.db2.gz QLBZUGIIRFSBPH-HNNXBMFYSA-N 2 2 288.395 0.678 20 0 CCADLP C[C@]1(CNc2nc[nH+]c(N)c2Cl)CCC[NH2+]C1 ZINC000643024878 377694155 /nfs/dbraw/zinc/69/41/55/377694155.db2.gz KPNBPMLDCSABKM-NSHDSACASA-N 2 2 255.753 0.936 20 0 CCADLP C[C@]1(CNc2[nH+]cnc(N)c2Cl)CCC[NH2+]C1 ZINC000643024878 377694163 /nfs/dbraw/zinc/69/41/63/377694163.db2.gz KPNBPMLDCSABKM-NSHDSACASA-N 2 2 255.753 0.936 20 0 CCADLP C[C@@H]([NH3+])CNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000643035772 377700154 /nfs/dbraw/zinc/70/01/54/377700154.db2.gz ZVQGQSBLKMIRTD-GHMZBOCLSA-N 2 2 265.361 0.587 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)CC1CCC1 ZINC000657090838 412885557 /nfs/dbraw/zinc/88/55/57/412885557.db2.gz IFNRKGJNHQIVDA-UHFFFAOYSA-N 2 2 291.461 0.589 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)CC1CCC1 ZINC000657090838 412885560 /nfs/dbraw/zinc/88/55/60/412885560.db2.gz IFNRKGJNHQIVDA-UHFFFAOYSA-N 2 2 291.461 0.589 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1NCC1([NH+]2CCOCC2)CCOCC1 ZINC000423172134 300003832 /nfs/dbraw/zinc/00/38/32/300003832.db2.gz RLWDPKZZYHTQRG-LSDHHAIUSA-N 2 2 297.443 0.455 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CCn1cc[nH+]c1 ZINC000279355157 194398058 /nfs/dbraw/zinc/39/80/58/194398058.db2.gz RFOGGVCYVBGAOU-ZDUSSCGKSA-N 2 2 280.372 0.452 20 0 CCADLP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000574766328 335046159 /nfs/dbraw/zinc/04/61/59/335046159.db2.gz HJNIOMXYOLMSRA-GFCCVEGCSA-N 2 2 279.388 0.917 20 0 CCADLP CC(C)NC(=O)NCC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000574766328 335046161 /nfs/dbraw/zinc/04/61/61/335046161.db2.gz HJNIOMXYOLMSRA-GFCCVEGCSA-N 2 2 279.388 0.917 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[NH+](C3CC3)CC2)CC1 ZINC000195221727 284940326 /nfs/dbraw/zinc/94/03/26/284940326.db2.gz NAHCHCYPIXNBTI-AWEZNQCLSA-N 2 2 294.443 0.319 20 0 CCADLP CCc1ccc(C[NH+]2CCN(C(=O)C[NH3+])CC2)s1 ZINC000237173988 284965268 /nfs/dbraw/zinc/96/52/68/284965268.db2.gz LHYPNXQOVZJTPI-UHFFFAOYSA-N 2 2 267.398 0.913 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000426436102 532958567 /nfs/dbraw/zinc/95/85/67/532958567.db2.gz PAGPAEYBWSNMHL-CQSZACIVSA-N 2 2 281.400 0.404 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000426436102 532958570 /nfs/dbraw/zinc/95/85/70/532958570.db2.gz PAGPAEYBWSNMHL-CQSZACIVSA-N 2 2 281.400 0.404 20 0 CCADLP COC1(C(=O)NCc2cn3c([nH+]2)CCCC3)CC[NH2+]CC1 ZINC000430898348 532973059 /nfs/dbraw/zinc/97/30/59/532973059.db2.gz BPOYSCWSYVFRLL-UHFFFAOYSA-N 2 2 292.383 0.604 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)n1C ZINC000657371246 412975361 /nfs/dbraw/zinc/97/53/61/412975361.db2.gz OYQFOSFXZAWTOO-JTQLQIEISA-N 2 2 290.289 0.981 20 0 CCADLP C[C@@H]1CN(C(=O)C2CC[NH+](CC(F)F)CC2)C[C@H]1[NH3+] ZINC000335379927 208320995 /nfs/dbraw/zinc/32/09/95/208320995.db2.gz LDBHDGYXLOKHIN-MWLCHTKSSA-N 2 2 275.343 0.769 20 0 CCADLP COC1CCN(CC[NH2+]Cc2c[nH+]c(C)n2C)CC1 ZINC000657390364 412983182 /nfs/dbraw/zinc/98/31/82/412983182.db2.gz BCCHNQZPFRCGGL-UHFFFAOYSA-N 2 2 266.389 0.929 20 0 CCADLP Cn1nc(C(F)(F)F)cc1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000657415615 412985903 /nfs/dbraw/zinc/98/59/03/412985903.db2.gz MPEVHCGGQGGXCO-NSHDSACASA-N 2 2 294.321 0.841 20 0 CCADLP CN(C)C(=O)[C@H]1CC[C@H](C[NH2+]Cc2c[nH+]c3n2CCC3)O1 ZINC000657427521 412987869 /nfs/dbraw/zinc/98/78/69/412987869.db2.gz RYZNMMCNGDGIRT-CHWSQXEVSA-N 2 2 292.383 0.555 20 0 CCADLP O=S1(=O)CCCC[C@@H]1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657432786 412989957 /nfs/dbraw/zinc/98/99/57/412989957.db2.gz UTKXEROMUFWVQP-GFCCVEGCSA-N 2 2 283.397 0.886 20 0 CCADLP COCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000424213687 533091621 /nfs/dbraw/zinc/09/16/21/533091621.db2.gz ANVPFTYOMJJAEE-NSHDSACASA-N 2 2 287.429 0.218 20 0 CCADLP C(C[NH+]1CCOCC1)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000257735321 285152378 /nfs/dbraw/zinc/15/23/78/285152378.db2.gz XUTJQQXUEUTRRI-UHFFFAOYSA-N 3 2 267.417 0.784 20 0 CCADLP COCC[C@@]1([NH2+]Cc2c[nH+]c(N(C)C)n2C)CCOC1 ZINC000419730823 285156881 /nfs/dbraw/zinc/15/68/81/285156881.db2.gz QPGSHXQNVVZXJG-CQSZACIVSA-N 2 2 282.388 0.771 20 0 CCADLP C[C@@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)[C@H](C)[NH3+] ZINC000418712897 533122088 /nfs/dbraw/zinc/12/20/88/533122088.db2.gz XKQPPJDLXVFQNB-YNEHKIRRSA-N 2 2 284.404 0.228 20 0 CCADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]Cc1cnn2c1CCC2 ZINC000657480858 413003412 /nfs/dbraw/zinc/00/34/12/413003412.db2.gz YUIPMAKFPIPMIM-AWEZNQCLSA-N 2 2 278.400 0.766 20 0 CCADLP COc1c[nH+]ccc1N1CC[NH+](C[C@](C)(O)C(C)=O)CC1 ZINC000450901634 533135793 /nfs/dbraw/zinc/13/57/93/533135793.db2.gz WREIXNTXCDNMPB-HNNXBMFYSA-N 2 2 293.367 0.552 20 0 CCADLP Cc1noc(CCC[N@@H+](C)C2CC[NH+](CCO)CC2)n1 ZINC000357703394 285200022 /nfs/dbraw/zinc/20/00/22/285200022.db2.gz FSZROFLBBMKVLC-UHFFFAOYSA-N 2 2 282.388 0.699 20 0 CCADLP Cc1noc(CCC[N@H+](C)C2CC[NH+](CCO)CC2)n1 ZINC000357703394 285200028 /nfs/dbraw/zinc/20/00/28/285200028.db2.gz FSZROFLBBMKVLC-UHFFFAOYSA-N 2 2 282.388 0.699 20 0 CCADLP CC(C)[C@H](CO)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000394067440 285213564 /nfs/dbraw/zinc/21/35/64/285213564.db2.gz MNUIADFPROGDTR-NSHDSACASA-N 2 2 254.378 0.840 20 0 CCADLP C[NH+]1CCC(CCO)([NH2+]Cc2cnn3c2CCC3)CC1 ZINC000657500271 413010378 /nfs/dbraw/zinc/01/03/78/413010378.db2.gz MPHSVLPJLHBSHE-UHFFFAOYSA-N 2 2 278.400 0.766 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)no1 ZINC000397242245 285235095 /nfs/dbraw/zinc/23/50/95/285235095.db2.gz MLOFHZYCEMLHLW-UMNHJUIQSA-N 2 2 280.372 0.649 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)no1 ZINC000397242245 285235097 /nfs/dbraw/zinc/23/50/97/285235097.db2.gz MLOFHZYCEMLHLW-UMNHJUIQSA-N 2 2 280.372 0.649 20 0 CCADLP O=C1NCC[C@@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000657525039 413016907 /nfs/dbraw/zinc/01/69/07/413016907.db2.gz WRTVEXUYRZBUQY-JTQLQIEISA-N 2 2 279.306 0.881 20 0 CCADLP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000657573917 413024852 /nfs/dbraw/zinc/02/48/52/413024852.db2.gz PRQCXWRWZFPENO-QLFBSQMISA-N 3 2 270.465 0.798 20 0 CCADLP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000657573917 413024857 /nfs/dbraw/zinc/02/48/57/413024857.db2.gz PRQCXWRWZFPENO-QLFBSQMISA-N 3 2 270.465 0.798 20 0 CCADLP C[C@@H](CNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)[NH+](C)C1CC1 ZINC000524262690 285311338 /nfs/dbraw/zinc/31/13/38/285311338.db2.gz LDSCIOUNBLOBBA-JSGCOSHPSA-N 2 2 297.447 0.014 20 0 CCADLP C[C@@H](CNC(=O)NC[C@H]1CN(C)CC[N@H+]1C)[NH+](C)C1CC1 ZINC000524262690 285311344 /nfs/dbraw/zinc/31/13/44/285311344.db2.gz LDSCIOUNBLOBBA-JSGCOSHPSA-N 2 2 297.447 0.014 20 0 CCADLP C[C@@H](CNC(=O)NC[C@H]1CN(C)CC[NH+]1C)[N@H+](C)C1CC1 ZINC000524262690 285311348 /nfs/dbraw/zinc/31/13/48/285311348.db2.gz LDSCIOUNBLOBBA-JSGCOSHPSA-N 2 2 297.447 0.014 20 0 CCADLP C[C@@H](CNC(=O)NC[C@H]1CN(C)CC[NH+]1C)[N@@H+](C)C1CC1 ZINC000524262690 285311353 /nfs/dbraw/zinc/31/13/53/285311353.db2.gz LDSCIOUNBLOBBA-JSGCOSHPSA-N 2 2 297.447 0.014 20 0 CCADLP COC(=O)C1CCN(C(=O)C[N@H+](C)C2CC[NH2+]CC2)CC1 ZINC000036301219 388843525 /nfs/dbraw/zinc/84/35/25/388843525.db2.gz OFUJQLHZOZFRGX-UHFFFAOYSA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)C1CCN(C(=O)C[N@@H+](C)C2CC[NH2+]CC2)CC1 ZINC000036301219 388843529 /nfs/dbraw/zinc/84/35/29/388843529.db2.gz OFUJQLHZOZFRGX-UHFFFAOYSA-N 2 2 297.399 0.082 20 0 CCADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1COC[C@H]1O ZINC000285970851 388820304 /nfs/dbraw/zinc/82/03/04/388820304.db2.gz NMTXDGWVKIOGEC-CHWSQXEVSA-N 2 2 274.324 0.459 20 0 CCADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1COC[C@H]1O ZINC000285970851 388820307 /nfs/dbraw/zinc/82/03/07/388820307.db2.gz NMTXDGWVKIOGEC-CHWSQXEVSA-N 2 2 274.324 0.459 20 0 CCADLP C[C@@H](C[NH3+])C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000286015926 388825562 /nfs/dbraw/zinc/82/55/62/388825562.db2.gz JOZKQYVECCZGDA-STQMWFEESA-N 2 2 276.384 0.882 20 0 CCADLP CO[C@H](C[NH3+])C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000289921719 388898538 /nfs/dbraw/zinc/89/85/38/388898538.db2.gz KJISRFZRJZWBIQ-CYBMUJFWSA-N 2 2 292.383 0.662 20 0 CCADLP C[C@@H](CNC(=O)NCc1c[nH+]cn1C)C[NH+]1CCCC1 ZINC000290596830 388907844 /nfs/dbraw/zinc/90/78/44/388907844.db2.gz AILLFNQIKNMVHW-LBPRGKRZSA-N 2 2 279.388 0.951 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2coc(C[NH3+])c2)C1 ZINC000188037748 388910396 /nfs/dbraw/zinc/91/03/96/388910396.db2.gz HNKKHVSWZZQJEB-CQSZACIVSA-N 2 2 295.383 0.825 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2coc(C[NH3+])c2)C1 ZINC000188037748 388910397 /nfs/dbraw/zinc/91/03/97/388910397.db2.gz HNKKHVSWZZQJEB-CQSZACIVSA-N 2 2 295.383 0.825 20 0 CCADLP CC[NH+](CC)[C@H](C)CNC(=O)NCc1c[nH+]cn1C ZINC000290796753 388912376 /nfs/dbraw/zinc/91/23/76/388912376.db2.gz UJRVTCOYRXCMRO-LLVKDONJSA-N 2 2 267.377 0.950 20 0 CCADLP O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CCn2c[nH+]cc2C1 ZINC000291082364 388917364 /nfs/dbraw/zinc/91/73/64/388917364.db2.gz JXXMLDYJAYMPAK-ZDUSSCGKSA-N 2 2 260.341 0.852 20 0 CCADLP O=C([C@@H]1CCC[N@H+]1C1CC1)N1CCn2c[nH+]cc2C1 ZINC000291082364 388917367 /nfs/dbraw/zinc/91/73/67/388917367.db2.gz JXXMLDYJAYMPAK-ZDUSSCGKSA-N 2 2 260.341 0.852 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cnn(CC(F)F)c1 ZINC000292831333 388961292 /nfs/dbraw/zinc/96/12/92/388961292.db2.gz XWKLUEGAHLIZJN-LBPRGKRZSA-N 2 2 276.331 0.550 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000292438971 388949706 /nfs/dbraw/zinc/94/97/06/388949706.db2.gz VOWRUPJQLPUYGF-DGCLKSJQSA-N 2 2 277.372 0.656 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000292438971 388949710 /nfs/dbraw/zinc/94/97/10/388949710.db2.gz VOWRUPJQLPUYGF-DGCLKSJQSA-N 2 2 277.372 0.656 20 0 CCADLP CC(C)CN1CC[N@H+](CCc2c[nH+]cn2C)CC1=O ZINC000298555253 389030110 /nfs/dbraw/zinc/03/01/10/389030110.db2.gz VGZILAGIXUQRQC-UHFFFAOYSA-N 2 2 264.373 0.763 20 0 CCADLP CC(C)CN1CC[N@@H+](CCc2c[nH+]cn2C)CC1=O ZINC000298555253 389030114 /nfs/dbraw/zinc/03/01/14/389030114.db2.gz VGZILAGIXUQRQC-UHFFFAOYSA-N 2 2 264.373 0.763 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCS[C@@H]2COCC[C@@H]21)C1CC1 ZINC000336814400 389024675 /nfs/dbraw/zinc/02/46/75/389024675.db2.gz XAMKWVBLVQDAPY-MELADBBJSA-N 2 2 286.441 0.648 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCS[C@@H]2COCC[C@@H]21)C1CC1 ZINC000336814400 389024677 /nfs/dbraw/zinc/02/46/77/389024677.db2.gz XAMKWVBLVQDAPY-MELADBBJSA-N 2 2 286.441 0.648 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCS[C@@H]2COCC[C@@H]21)C1CC1 ZINC000336814400 389024678 /nfs/dbraw/zinc/02/46/78/389024678.db2.gz XAMKWVBLVQDAPY-MELADBBJSA-N 2 2 286.441 0.648 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCS[C@@H]2COCC[C@@H]21)C1CC1 ZINC000336814400 389024682 /nfs/dbraw/zinc/02/46/82/389024682.db2.gz XAMKWVBLVQDAPY-MELADBBJSA-N 2 2 286.441 0.648 20 0 CCADLP CC(C)OCC[NH+]1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000302134212 389063610 /nfs/dbraw/zinc/06/36/10/389063610.db2.gz CYCVCQMAOULGPG-UHFFFAOYSA-N 2 2 292.383 0.728 20 0 CCADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@H]21 ZINC000355039259 389037343 /nfs/dbraw/zinc/03/73/43/389037343.db2.gz RWIOPXAIDMWZBJ-JHJVBQTASA-N 2 2 290.367 0.302 20 0 CCADLP C[N@H+]1CCO[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@H]21 ZINC000355039259 389037344 /nfs/dbraw/zinc/03/73/44/389037344.db2.gz RWIOPXAIDMWZBJ-JHJVBQTASA-N 2 2 290.367 0.302 20 0 CCADLP CC(C)C[C@H](C[NH2+][C@H]1CC[NH2+]C1)N1CCOCC1 ZINC000094075149 389038706 /nfs/dbraw/zinc/03/87/06/389038706.db2.gz XHIMOUFVBFGASN-UONOGXRCSA-N 2 2 255.406 0.685 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000355094138 389041176 /nfs/dbraw/zinc/04/11/76/389041176.db2.gz YRKWNMVHLRDFJI-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000355094138 389041178 /nfs/dbraw/zinc/04/11/78/389041178.db2.gz YRKWNMVHLRDFJI-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000355094138 389041181 /nfs/dbraw/zinc/04/11/81/389041181.db2.gz YRKWNMVHLRDFJI-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000355185596 389045759 /nfs/dbraw/zinc/04/57/59/389045759.db2.gz WPAGPAARKVFUEQ-GJZGRUSLSA-N 2 2 294.443 0.367 20 0 CCADLP C[N@H+]1CCCC[C@H]1CCC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000355185596 389045760 /nfs/dbraw/zinc/04/57/60/389045760.db2.gz WPAGPAARKVFUEQ-GJZGRUSLSA-N 2 2 294.443 0.367 20 0 CCADLP C[N@@H+]1CCO[C@@H]2CCN(c3nc[nH+]c(N)c3Cl)C[C@@H]21 ZINC000225474370 389145850 /nfs/dbraw/zinc/14/58/50/389145850.db2.gz XMKFLQZSFIZZMS-DTWKUNHWSA-N 2 2 283.763 0.622 20 0 CCADLP C[N@H+]1CCO[C@@H]2CCN(c3nc[nH+]c(N)c3Cl)C[C@@H]21 ZINC000225474370 389145853 /nfs/dbraw/zinc/14/58/53/389145853.db2.gz XMKFLQZSFIZZMS-DTWKUNHWSA-N 2 2 283.763 0.622 20 0 CCADLP C[C@H]1CCC[C@H](C)N1C(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107576156 389096993 /nfs/dbraw/zinc/09/69/93/389096993.db2.gz IJNRSHUIMQTPCU-XDQVBPFNSA-N 2 2 265.401 0.927 20 0 CCADLP C[C@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107576156 389096995 /nfs/dbraw/zinc/09/69/95/389096995.db2.gz IJNRSHUIMQTPCU-XDQVBPFNSA-N 2 2 265.401 0.927 20 0 CCADLP CC(C)NC(=O)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109754764 389100392 /nfs/dbraw/zinc/10/03/92/389100392.db2.gz HRMBZXDFRVJXLK-HNNXBMFYSA-N 2 2 296.459 0.613 20 0 CCADLP CC(C)NC(=O)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000109754764 389100395 /nfs/dbraw/zinc/10/03/95/389100395.db2.gz HRMBZXDFRVJXLK-HNNXBMFYSA-N 2 2 296.459 0.613 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@](C)(O)CC1 ZINC000311659091 389104264 /nfs/dbraw/zinc/10/42/64/389104264.db2.gz FIKGEZNAEPQLMW-KBPBESRZSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@](C)(O)CC1 ZINC000311659091 389104266 /nfs/dbraw/zinc/10/42/66/389104266.db2.gz FIKGEZNAEPQLMW-KBPBESRZSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@](C)(O)CC1 ZINC000311659091 389104268 /nfs/dbraw/zinc/10/42/68/389104268.db2.gz FIKGEZNAEPQLMW-KBPBESRZSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@](C)(O)CC1 ZINC000311659091 389104271 /nfs/dbraw/zinc/10/42/71/389104271.db2.gz FIKGEZNAEPQLMW-KBPBESRZSA-N 2 2 274.405 0.162 20 0 CCADLP CC[C@H](C)[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C(=O)OC ZINC000338288652 389106714 /nfs/dbraw/zinc/10/67/14/389106714.db2.gz MEAHCDJWFTWTPT-JSGCOSHPSA-N 2 2 299.415 0.328 20 0 CCADLP COc1ccncc1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000312933481 389109642 /nfs/dbraw/zinc/10/96/42/389109642.db2.gz GCNSJROBDNUHMV-CQSZACIVSA-N 2 2 276.384 0.570 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH3+])N(CC[NH+]2CCOCC2)[C@@H]1C ZINC000316400993 389120391 /nfs/dbraw/zinc/12/03/91/389120391.db2.gz MFKFWAGBGDYKSL-MCIONIFRSA-N 2 2 255.406 0.766 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCC[NH+]1C ZINC000357344054 389133337 /nfs/dbraw/zinc/13/33/37/389133337.db2.gz GVHDWOYYTDFIAM-HNNXBMFYSA-N 3 2 296.459 0.565 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCC[NH+]1C ZINC000357344054 389133340 /nfs/dbraw/zinc/13/33/40/389133340.db2.gz GVHDWOYYTDFIAM-HNNXBMFYSA-N 3 2 296.459 0.565 20 0 CCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000357344054 389133344 /nfs/dbraw/zinc/13/33/44/389133344.db2.gz GVHDWOYYTDFIAM-HNNXBMFYSA-N 3 2 296.459 0.565 20 0 CCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000357344054 389133345 /nfs/dbraw/zinc/13/33/45/389133345.db2.gz GVHDWOYYTDFIAM-HNNXBMFYSA-N 3 2 296.459 0.565 20 0 CCADLP CO[C@H](C)C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000357312760 389133691 /nfs/dbraw/zinc/13/36/91/389133691.db2.gz YVLJKXYQVUZUHY-CYBMUJFWSA-N 2 2 271.405 0.506 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C[C@H](O)C(F)(F)F ZINC000121840828 389150074 /nfs/dbraw/zinc/15/00/74/389150074.db2.gz SVQYPKRYRZWBLV-LBPRGKRZSA-N 2 2 297.365 0.867 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C[C@H](O)C(F)(F)F ZINC000121840828 389150078 /nfs/dbraw/zinc/15/00/78/389150078.db2.gz SVQYPKRYRZWBLV-LBPRGKRZSA-N 2 2 297.365 0.867 20 0 CCADLP CN(CC[N@H+](C)C[C@H](O)C(F)(F)F)C1CC[NH+](C)CC1 ZINC000121840828 389150079 /nfs/dbraw/zinc/15/00/79/389150079.db2.gz SVQYPKRYRZWBLV-LBPRGKRZSA-N 2 2 297.365 0.867 20 0 CCADLP CN(CC[N@@H+](C)C[C@H](O)C(F)(F)F)C1CC[NH+](C)CC1 ZINC000121840828 389150084 /nfs/dbraw/zinc/15/00/84/389150084.db2.gz SVQYPKRYRZWBLV-LBPRGKRZSA-N 2 2 297.365 0.867 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC[NH+]1CCC[C@H]1C(N)=O ZINC000341902232 389194702 /nfs/dbraw/zinc/19/47/02/389194702.db2.gz SGUCBJBIHIBKLH-KBXIAJHMSA-N 3 2 296.459 0.645 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC[NH+]1CCC[C@H]1C(N)=O ZINC000341902232 389194703 /nfs/dbraw/zinc/19/47/03/389194703.db2.gz SGUCBJBIHIBKLH-KBXIAJHMSA-N 3 2 296.459 0.645 20 0 CCADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000341902232 389194706 /nfs/dbraw/zinc/19/47/06/389194706.db2.gz SGUCBJBIHIBKLH-KBXIAJHMSA-N 3 2 296.459 0.645 20 0 CCADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000341902232 389194708 /nfs/dbraw/zinc/19/47/08/389194708.db2.gz SGUCBJBIHIBKLH-KBXIAJHMSA-N 3 2 296.459 0.645 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)N(C)C2=O)CC[N@@H+]1C ZINC000251750679 389263081 /nfs/dbraw/zinc/26/30/81/389263081.db2.gz DEALJEBZYJHVHX-VWYCJHECSA-N 2 2 253.346 0.206 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)N(C)C2=O)CC[N@H+]1C ZINC000251750679 389263084 /nfs/dbraw/zinc/26/30/84/389263084.db2.gz DEALJEBZYJHVHX-VWYCJHECSA-N 2 2 253.346 0.206 20 0 CCADLP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000252453134 389264595 /nfs/dbraw/zinc/26/45/95/389264595.db2.gz BIZWBJZPMGJTAT-WUHRBBMRSA-N 2 2 253.390 0.831 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000245437030 389208434 /nfs/dbraw/zinc/20/84/34/389208434.db2.gz RGNDEFVKSBQRPF-OLZOCXBDSA-N 2 2 298.431 0.884 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000245437030 389208436 /nfs/dbraw/zinc/20/84/36/389208436.db2.gz RGNDEFVKSBQRPF-OLZOCXBDSA-N 2 2 298.431 0.884 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000245437030 389208439 /nfs/dbraw/zinc/20/84/39/389208439.db2.gz RGNDEFVKSBQRPF-OLZOCXBDSA-N 2 2 298.431 0.884 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000245437030 389208441 /nfs/dbraw/zinc/20/84/41/389208441.db2.gz RGNDEFVKSBQRPF-OLZOCXBDSA-N 2 2 298.431 0.884 20 0 CCADLP CC[C@@H](COC)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000361220588 389210283 /nfs/dbraw/zinc/21/02/83/389210283.db2.gz MYNWZCJJEPGRFX-NWDGAFQWSA-N 2 2 257.378 0.341 20 0 CCADLP CC[C@@H](COC)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000361220588 389210287 /nfs/dbraw/zinc/21/02/87/389210287.db2.gz MYNWZCJJEPGRFX-NWDGAFQWSA-N 2 2 257.378 0.341 20 0 CCADLP CC[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131183912 389210569 /nfs/dbraw/zinc/21/05/69/389210569.db2.gz JTIJTDRGMHUUCG-CHWSQXEVSA-N 2 2 269.389 0.171 20 0 CCADLP CC[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131183912 389210573 /nfs/dbraw/zinc/21/05/73/389210573.db2.gz JTIJTDRGMHUUCG-CHWSQXEVSA-N 2 2 269.389 0.171 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1CC[N@H+]1CCCOCC1 ZINC000361395806 389214447 /nfs/dbraw/zinc/21/44/47/389214447.db2.gz QBYQTBNXSCFKRF-HZPDHXFCSA-N 2 2 297.443 0.504 20 0 CCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)CC[NH+]1CCCOCC1 ZINC000361395110 389214523 /nfs/dbraw/zinc/21/45/23/389214523.db2.gz LNSMNAWYLCHZJQ-UHFFFAOYSA-N 2 2 299.459 0.751 20 0 CCADLP CN(CC[N@H+]1CCOC(C)(C)C1)CC[NH+]1CCCOCC1 ZINC000361395110 389214526 /nfs/dbraw/zinc/21/45/26/389214526.db2.gz LNSMNAWYLCHZJQ-UHFFFAOYSA-N 2 2 299.459 0.751 20 0 CCADLP CN(CC[NH+]1CCOC(C)(C)C1)CC[N@H+]1CCCOCC1 ZINC000361395110 389214531 /nfs/dbraw/zinc/21/45/31/389214531.db2.gz LNSMNAWYLCHZJQ-UHFFFAOYSA-N 2 2 299.459 0.751 20 0 CCADLP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000131991794 389219138 /nfs/dbraw/zinc/21/91/38/389219138.db2.gz FHAVBHJTOHMCQQ-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCC[NH+]1CCCC1 ZINC000133440756 389235349 /nfs/dbraw/zinc/23/53/49/389235349.db2.gz FHHTVEHDBMUVKW-KBPBESRZSA-N 3 2 255.406 0.829 20 0 CCADLP C[NH+](C)C/C=C/C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000367083416 389319681 /nfs/dbraw/zinc/31/96/81/389319681.db2.gz FZMWDVNKSPEZMP-RDFMZFSFSA-N 2 2 274.368 0.672 20 0 CCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000346690403 389336037 /nfs/dbraw/zinc/33/60/37/389336037.db2.gz TWSAQLUQGGMMNJ-CHWSQXEVSA-N 2 2 269.389 0.116 20 0 CCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000346690403 389336039 /nfs/dbraw/zinc/33/60/39/389336039.db2.gz TWSAQLUQGGMMNJ-CHWSQXEVSA-N 2 2 269.389 0.116 20 0 CCADLP CC(C)[C@H]1C[NH+](C)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000346690403 389336041 /nfs/dbraw/zinc/33/60/41/389336041.db2.gz TWSAQLUQGGMMNJ-CHWSQXEVSA-N 2 2 269.389 0.116 20 0 CCADLP CC(C)[C@H]1C[NH+](C)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000346690403 389336044 /nfs/dbraw/zinc/33/60/44/389336044.db2.gz TWSAQLUQGGMMNJ-CHWSQXEVSA-N 2 2 269.389 0.116 20 0 CCADLP C[NH+]1CCC([N@H+](CCO)C[C@H]2CCC[NH2+]C2)CC1 ZINC000346852173 389339698 /nfs/dbraw/zinc/33/96/98/389339698.db2.gz WKZRFWBTODUPQV-ZDUSSCGKSA-N 3 2 255.406 0.375 20 0 CCADLP C[NH+]1CCC([N@@H+](CCO)C[C@H]2CCC[NH2+]C2)CC1 ZINC000346852173 389339702 /nfs/dbraw/zinc/33/97/02/389339702.db2.gz WKZRFWBTODUPQV-ZDUSSCGKSA-N 3 2 255.406 0.375 20 0 CCADLP CC[C@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)c1[nH]cc[nH+]1 ZINC000330982385 389271781 /nfs/dbraw/zinc/27/17/81/389271781.db2.gz KDSCCNMYGBDCCT-RYUDHWBXSA-N 2 2 279.388 0.613 20 0 CCADLP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261578766 389272305 /nfs/dbraw/zinc/27/23/05/389272305.db2.gz PBEFESWEWIQEGA-OUCADQQQSA-N 2 2 253.390 0.975 20 0 CCADLP CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261578766 389272309 /nfs/dbraw/zinc/27/23/09/389272309.db2.gz PBEFESWEWIQEGA-OUCADQQQSA-N 2 2 253.390 0.975 20 0 CCADLP CC1CCN(C(=O)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000261637219 389273614 /nfs/dbraw/zinc/27/36/14/389273614.db2.gz WRSFJLXNRKCMKJ-KBPBESRZSA-N 2 2 265.401 0.929 20 0 CCADLP CC1CCN(C(=O)C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000261637219 389273618 /nfs/dbraw/zinc/27/36/18/389273618.db2.gz WRSFJLXNRKCMKJ-KBPBESRZSA-N 2 2 265.401 0.929 20 0 CCADLP CNC(=O)CC[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000343921922 389276159 /nfs/dbraw/zinc/27/61/59/389276159.db2.gz IVPSJZDYJZZIIM-KGLIPLIRSA-N 2 2 282.432 0.080 20 0 CCADLP CNC(=O)CC[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000343921922 389276162 /nfs/dbraw/zinc/27/61/62/389276162.db2.gz IVPSJZDYJZZIIM-KGLIPLIRSA-N 2 2 282.432 0.080 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCc3nc(C)nn3C2)C1 ZINC000344056718 389277404 /nfs/dbraw/zinc/27/74/04/389277404.db2.gz IJOKEGWNFQJFKE-CYZMBNFOSA-N 2 2 263.389 0.831 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCc3nc(C)nn3C2)C1 ZINC000344056718 389277407 /nfs/dbraw/zinc/27/74/07/389277407.db2.gz IJOKEGWNFQJFKE-CYZMBNFOSA-N 2 2 263.389 0.831 20 0 CCADLP Cn1ccnc1[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CCN1C ZINC000262092367 389281317 /nfs/dbraw/zinc/28/13/17/389281317.db2.gz UXYJGYREKFVWRK-ZFWWWQNUSA-N 2 2 277.416 0.708 20 0 CCADLP Cn1ccnc1[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CCN1C ZINC000262092367 389281319 /nfs/dbraw/zinc/28/13/19/389281319.db2.gz UXYJGYREKFVWRK-ZFWWWQNUSA-N 2 2 277.416 0.708 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000266855099 389368022 /nfs/dbraw/zinc/36/80/22/389368022.db2.gz RYKKSHTUSVSRJF-LBPRGKRZSA-N 2 2 287.323 0.536 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000266855099 389368027 /nfs/dbraw/zinc/36/80/27/389368027.db2.gz RYKKSHTUSVSRJF-LBPRGKRZSA-N 2 2 287.323 0.536 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@@H+]1CCOC(C)(C)C1)[NH+](C)C ZINC000348328203 389374011 /nfs/dbraw/zinc/37/40/11/389374011.db2.gz SLWWJNGLAPSFRH-CYBMUJFWSA-N 2 2 285.432 0.800 20 0 CCADLP CCOCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370829522 389417424 /nfs/dbraw/zinc/41/74/24/389417424.db2.gz HCMZAQUCXZLMBU-CQSZACIVSA-N 2 2 283.416 0.650 20 0 CCADLP CCOCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370829522 389417429 /nfs/dbraw/zinc/41/74/29/389417429.db2.gz HCMZAQUCXZLMBU-CQSZACIVSA-N 2 2 283.416 0.650 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccn[nH]3)C2)CC1 ZINC000369278472 389392621 /nfs/dbraw/zinc/39/26/21/389392621.db2.gz RCVXSSRWLLUORJ-LLVKDONJSA-N 2 2 277.372 0.308 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccn[nH]3)C2)CC1 ZINC000369278472 389392624 /nfs/dbraw/zinc/39/26/24/389392624.db2.gz RCVXSSRWLLUORJ-LLVKDONJSA-N 2 2 277.372 0.308 20 0 CCADLP CO[C@H](C)CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369275613 389392914 /nfs/dbraw/zinc/39/29/14/389392914.db2.gz YCHICQKMIGKPRD-CHWSQXEVSA-N 2 2 283.416 0.696 20 0 CCADLP CO[C@H](C)CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369275613 389392918 /nfs/dbraw/zinc/39/29/18/389392918.db2.gz YCHICQKMIGKPRD-CHWSQXEVSA-N 2 2 283.416 0.696 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCF)CC1 ZINC000162194504 389415833 /nfs/dbraw/zinc/41/58/33/389415833.db2.gz GRJZWPGZSORJAI-LBPRGKRZSA-N 2 2 257.353 0.584 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCF)CC1 ZINC000162194504 389415835 /nfs/dbraw/zinc/41/58/35/389415835.db2.gz GRJZWPGZSORJAI-LBPRGKRZSA-N 2 2 257.353 0.584 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000422732691 389461405 /nfs/dbraw/zinc/46/14/05/389461405.db2.gz AHIDLHTYPYRCMV-BMFZPTHFSA-N 2 2 278.396 0.947 20 0 CCADLP CCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000170740929 389461711 /nfs/dbraw/zinc/46/17/11/389461711.db2.gz HAMNGFBBDMLRGS-UHFFFAOYSA-N 2 2 256.394 0.674 20 0 CCADLP CCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000170740929 389461715 /nfs/dbraw/zinc/46/17/15/389461715.db2.gz HAMNGFBBDMLRGS-UHFFFAOYSA-N 2 2 256.394 0.674 20 0 CCADLP C[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])C[NH+]1CCOCC1 ZINC000422773623 389472730 /nfs/dbraw/zinc/47/27/30/389472730.db2.gz YZZCPRSVGZBCCK-RDBSUJKOSA-N 3 2 255.406 0.672 20 0 CCADLP C[NH+]1CCC(n2ccc(NCc3[nH]cc[nH+]3)n2)CC1 ZINC000373314072 389473192 /nfs/dbraw/zinc/47/31/92/389473192.db2.gz SUJZTENEBVCVAP-UHFFFAOYSA-N 2 2 260.345 0.907 20 0 CCADLP C[C@H]1C[N@H+](C)CCN1C(=O)C[NH+](C)[C@@H]1CCSC1 ZINC000334514934 389494088 /nfs/dbraw/zinc/49/40/88/389494088.db2.gz MJOJWAIGSCVODC-NWDGAFQWSA-N 2 2 271.430 0.586 20 0 CCADLP C[C@H]1C[NH+](C)CCN1C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000334514934 389494095 /nfs/dbraw/zinc/49/40/95/389494095.db2.gz MJOJWAIGSCVODC-NWDGAFQWSA-N 2 2 271.430 0.586 20 0 CCADLP C[C@H]1C[NH+](C)CCN1C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000334514934 389494097 /nfs/dbraw/zinc/49/40/97/389494097.db2.gz MJOJWAIGSCVODC-NWDGAFQWSA-N 2 2 271.430 0.586 20 0 CCADLP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422862448 389494265 /nfs/dbraw/zinc/49/42/65/389494265.db2.gz KGICAOSKWHIMRP-RRFJBIMHSA-N 3 2 287.448 0.700 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@](C)(F)C2)CC1 ZINC000334372992 389477471 /nfs/dbraw/zinc/47/74/71/389477471.db2.gz ZHJFWPPKNKAMKJ-JSGCOSHPSA-N 2 2 271.380 0.973 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@](C)(F)C2)CC1 ZINC000334372992 389477475 /nfs/dbraw/zinc/47/74/75/389477475.db2.gz ZHJFWPPKNKAMKJ-JSGCOSHPSA-N 2 2 271.380 0.973 20 0 CCADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1C[NH2+]CCO1 ZINC000164379446 389433610 /nfs/dbraw/zinc/43/36/10/389433610.db2.gz RVTXKOYOMQCIQY-CYBMUJFWSA-N 2 2 272.308 0.799 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)[NH+]1CCOCC1 ZINC000164181059 389433676 /nfs/dbraw/zinc/43/36/76/389433676.db2.gz QANNKNOJUDABMG-WDEREUQCSA-N 2 2 257.378 0.197 20 0 CCADLP C[C@@H](NC(=O)NC(C)(C)CC[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000422600966 389444358 /nfs/dbraw/zinc/44/43/58/389444358.db2.gz WBOSYCHZOSKCNX-NEPJUHHUSA-N 2 2 286.420 0.522 20 0 CCADLP COCCN1CCC[C@@H]1C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000422701940 389453999 /nfs/dbraw/zinc/45/39/99/389453999.db2.gz CSJHTVBRKAVSNC-SOUVJXGZSA-N 2 2 285.432 0.454 20 0 CCADLP CC[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422922242 389505506 /nfs/dbraw/zinc/50/55/06/389505506.db2.gz SHCJLXXWHRWLBD-RTXFEEFZSA-N 2 2 251.374 0.870 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1c[nH+]ccc1N ZINC000422924019 389507118 /nfs/dbraw/zinc/50/71/18/389507118.db2.gz XLKWDIMVAANPPT-NXEZZACHSA-N 2 2 260.341 0.908 20 0 CCADLP C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)[C@H]1CCC[NH2+]1 ZINC000422954416 389510201 /nfs/dbraw/zinc/51/02/01/389510201.db2.gz HMVDKKGXCZLSOL-BBBLOLIVSA-N 2 2 279.306 0.880 20 0 CCADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000422979437 389515942 /nfs/dbraw/zinc/51/59/42/389515942.db2.gz MSQIFBHWOHSGNU-RRFJBIMHSA-N 3 2 269.433 0.667 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000174360768 389519002 /nfs/dbraw/zinc/51/90/02/389519002.db2.gz SSBVUKTWIQHPFE-ZDUSSCGKSA-N 2 2 299.415 0.424 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000423020037 389522984 /nfs/dbraw/zinc/52/29/84/389522984.db2.gz YKOWYZAVBLSSFI-FVCCEPFGSA-N 2 2 269.389 0.210 20 0 CCADLP COC(=O)[C@@H]1CN(c2cc(C)[nH+]c(C)n2)CC[N@H+](C)C1 ZINC000413504008 389524245 /nfs/dbraw/zinc/52/42/45/389524245.db2.gz SXHLQYDSNXSXRD-LBPRGKRZSA-N 2 2 278.356 0.634 20 0 CCADLP COC(=O)[C@@H]1CN(c2cc(C)[nH+]c(C)n2)CC[N@@H+](C)C1 ZINC000413504008 389524248 /nfs/dbraw/zinc/52/42/48/389524248.db2.gz SXHLQYDSNXSXRD-LBPRGKRZSA-N 2 2 278.356 0.634 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000174564850 389524566 /nfs/dbraw/zinc/52/45/66/389524566.db2.gz WUDZNPOEJKQEAA-AWEZNQCLSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000174564850 389524571 /nfs/dbraw/zinc/52/45/71/389524571.db2.gz WUDZNPOEJKQEAA-AWEZNQCLSA-N 2 2 281.400 0.404 20 0 CCADLP CC1=CC[N@H+](CCN[C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000423029424 389524985 /nfs/dbraw/zinc/52/49/85/389524985.db2.gz AEGPMHQAOPPMPQ-HZPDHXFCSA-N 2 2 279.428 0.995 20 0 CCADLP CC1=CC[N@@H+](CCN[C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000423029424 389524986 /nfs/dbraw/zinc/52/49/86/389524986.db2.gz AEGPMHQAOPPMPQ-HZPDHXFCSA-N 2 2 279.428 0.995 20 0 CCADLP CC1=CCN(CC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000423029424 389524987 /nfs/dbraw/zinc/52/49/87/389524987.db2.gz AEGPMHQAOPPMPQ-HZPDHXFCSA-N 2 2 279.428 0.995 20 0 CCADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000423038211 389525004 /nfs/dbraw/zinc/52/50/04/389525004.db2.gz NZHCAMYGCNDZRA-KFWWJZLASA-N 3 2 269.433 0.953 20 0 CCADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000423038211 389525005 /nfs/dbraw/zinc/52/50/05/389525005.db2.gz NZHCAMYGCNDZRA-KFWWJZLASA-N 3 2 269.433 0.953 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)[C@@H]1CCCC[NH2+]1 ZINC000423040140 389525173 /nfs/dbraw/zinc/52/51/73/389525173.db2.gz GPCOZKRPOTZFSK-QWRGUYRKSA-N 2 2 265.361 0.260 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000276672603 389526346 /nfs/dbraw/zinc/52/63/46/389526346.db2.gz ZNWSINKRWGXZLU-HEKLCECKSA-N 2 2 278.356 0.336 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000276672603 389526350 /nfs/dbraw/zinc/52/63/50/389526350.db2.gz ZNWSINKRWGXZLU-HEKLCECKSA-N 2 2 278.356 0.336 20 0 CCADLP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)[N@H+](C)C1CC1 ZINC000276670519 389526451 /nfs/dbraw/zinc/52/64/51/389526451.db2.gz ZFXFFPVFSPSKGB-NSHDSACASA-N 2 2 264.373 0.952 20 0 CCADLP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)[N@@H+](C)C1CC1 ZINC000276670519 389526457 /nfs/dbraw/zinc/52/64/57/389526457.db2.gz ZFXFFPVFSPSKGB-NSHDSACASA-N 2 2 264.373 0.952 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000174764652 389529901 /nfs/dbraw/zinc/52/99/01/389529901.db2.gz IXLZNXUORODCGG-NSHDSACASA-N 2 2 250.346 0.943 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000174764652 389529904 /nfs/dbraw/zinc/52/99/04/389529904.db2.gz IXLZNXUORODCGG-NSHDSACASA-N 2 2 250.346 0.943 20 0 CCADLP C[C@@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423112867 389536238 /nfs/dbraw/zinc/53/62/38/389536238.db2.gz SNYPYOPMXRHXHP-WOPDTQHZSA-N 2 2 295.349 0.980 20 0 CCADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC(=O)N2CCC2)C1 ZINC000350731709 389538706 /nfs/dbraw/zinc/53/87/06/389538706.db2.gz DWVXDTHHNWZIHM-CQSZACIVSA-N 2 2 265.401 0.882 20 0 CCADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC(=O)N2CCC2)C1 ZINC000350731709 389538709 /nfs/dbraw/zinc/53/87/09/389538709.db2.gz DWVXDTHHNWZIHM-CQSZACIVSA-N 2 2 265.401 0.882 20 0 CCADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC000350731709 389538711 /nfs/dbraw/zinc/53/87/11/389538711.db2.gz DWVXDTHHNWZIHM-CQSZACIVSA-N 2 2 265.401 0.882 20 0 CCADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC000350731709 389538714 /nfs/dbraw/zinc/53/87/14/389538714.db2.gz DWVXDTHHNWZIHM-CQSZACIVSA-N 2 2 265.401 0.882 20 0 CCADLP C[C@H](CCO)CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423146265 389543712 /nfs/dbraw/zinc/54/37/12/389543712.db2.gz OYUREFDTAVJGOJ-YUTCNCBUSA-N 2 2 256.390 0.752 20 0 CCADLP CCN(C)C(=O)[C@@H]([NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)C(C)C ZINC000423155954 389545355 /nfs/dbraw/zinc/54/53/55/389545355.db2.gz KGORQATVJDUQEA-MCIONIFRSA-N 2 2 285.432 0.846 20 0 CCADLP C[C@H](CCCO)C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423159117 389545886 /nfs/dbraw/zinc/54/58/86/389545886.db2.gz OUPPFSUCFDVYQS-BNOWGMLFSA-N 2 2 256.390 0.752 20 0 CCADLP CCS(=O)(=O)CCC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423173813 389548106 /nfs/dbraw/zinc/54/81/06/389548106.db2.gz ADNZUXVNJLYTQP-RYUDHWBXSA-N 2 2 262.419 0.931 20 0 CCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000335347293 389549726 /nfs/dbraw/zinc/54/97/26/389549726.db2.gz GCPVASLNGBDYGE-NEPJUHHUSA-N 2 2 262.357 0.608 20 0 CCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000335347293 389549728 /nfs/dbraw/zinc/54/97/28/389549728.db2.gz GCPVASLNGBDYGE-NEPJUHHUSA-N 2 2 262.357 0.608 20 0 CCADLP CC[C@@H](C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1)[NH+](C)C ZINC000413779364 389556056 /nfs/dbraw/zinc/55/60/56/389556056.db2.gz DZWFJDNULJGMPZ-KGLIPLIRSA-N 2 2 276.384 0.895 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@H]2C[C@H](C)CC[NH2+]2)CC1 ZINC000423302813 389561120 /nfs/dbraw/zinc/56/11/20/389561120.db2.gz KRSZJFYZPUYIBH-CHWSQXEVSA-N 2 2 269.389 0.165 20 0 CCADLP COC(=O)[C@H]1C[C@@H](OC)CC[N@@H+]1CCn1cc[nH+]c1C ZINC000351103341 389565000 /nfs/dbraw/zinc/56/50/00/389565000.db2.gz QYXYWNLLYNZPNG-QWHCGFSZSA-N 2 2 281.356 0.844 20 0 CCADLP COC(=O)[C@H]1C[C@@H](OC)CC[N@H+]1CCn1cc[nH+]c1C ZINC000351103341 389565002 /nfs/dbraw/zinc/56/50/02/389565002.db2.gz QYXYWNLLYNZPNG-QWHCGFSZSA-N 2 2 281.356 0.844 20 0 CCADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)c1 ZINC000423330122 389566377 /nfs/dbraw/zinc/56/63/77/389566377.db2.gz TYBZXQALFOFNIB-HZMBPMFUSA-N 2 2 297.424 0.983 20 0 CCADLP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423331168 389566824 /nfs/dbraw/zinc/56/68/24/389566824.db2.gz PTDLQXMNWOOUIO-MNOVXSKESA-N 2 2 285.413 0.935 20 0 CCADLP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000422866226 389496328 /nfs/dbraw/zinc/49/63/28/389496328.db2.gz QDTDBQYYQTWJNE-QEJZJMRPSA-N 2 2 295.427 0.873 20 0 CCADLP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000422866226 389496331 /nfs/dbraw/zinc/49/63/31/389496331.db2.gz QDTDBQYYQTWJNE-QEJZJMRPSA-N 2 2 295.427 0.873 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000422882458 389498334 /nfs/dbraw/zinc/49/83/34/389498334.db2.gz SHTLLHMHMWPKIL-MJBXVCDLSA-N 3 2 284.448 0.645 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000422882458 389498336 /nfs/dbraw/zinc/49/83/36/389498336.db2.gz SHTLLHMHMWPKIL-MJBXVCDLSA-N 3 2 284.448 0.645 20 0 CCADLP C(COCC1CC1)[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422889914 389500162 /nfs/dbraw/zinc/50/01/62/389500162.db2.gz QTVKAGDPYQDAEB-KGLIPLIRSA-N 2 2 254.374 0.770 20 0 CCADLP CS(=O)(=O)[C@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000274221610 389501071 /nfs/dbraw/zinc/50/10/71/389501071.db2.gz VHJBBYCLZRJKOI-LBPRGKRZSA-N 2 2 271.386 0.782 20 0 CCADLP CS(=O)(=O)[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000274221610 389501076 /nfs/dbraw/zinc/50/10/76/389501076.db2.gz VHJBBYCLZRJKOI-LBPRGKRZSA-N 2 2 271.386 0.782 20 0 CCADLP CC(C)(C)[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000178660572 389614715 /nfs/dbraw/zinc/61/47/15/389614715.db2.gz SJLJJFRESOBEKR-LLVKDONJSA-N 2 2 271.405 0.587 20 0 CCADLP CC(C)(C)[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000178660572 389614717 /nfs/dbraw/zinc/61/47/17/389614717.db2.gz SJLJJFRESOBEKR-LLVKDONJSA-N 2 2 271.405 0.587 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000423924453 389615098 /nfs/dbraw/zinc/61/50/98/389615098.db2.gz ABDSIIRKGWXNFV-BARDWOONSA-N 2 2 295.427 0.552 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000423924453 389615100 /nfs/dbraw/zinc/61/51/00/389615100.db2.gz ABDSIIRKGWXNFV-BARDWOONSA-N 2 2 295.427 0.552 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000414673971 389626098 /nfs/dbraw/zinc/62/60/98/389626098.db2.gz ROPRINUIOHJFQE-QWHCGFSZSA-N 2 2 291.461 0.621 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000414673971 389626104 /nfs/dbraw/zinc/62/61/04/389626104.db2.gz ROPRINUIOHJFQE-QWHCGFSZSA-N 2 2 291.461 0.621 20 0 CCADLP C[C@H]1C[C@H](C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)CC[NH2+]1 ZINC000414707179 389629755 /nfs/dbraw/zinc/62/97/55/389629755.db2.gz YLPQRXMCOLKGBN-UONOGXRCSA-N 3 2 277.416 0.915 20 0 CCADLP CCOC(=O)C[C@@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351607618 389632453 /nfs/dbraw/zinc/63/24/53/389632453.db2.gz WTHASYIKIQECKC-DGCLKSJQSA-N 2 2 272.389 0.715 20 0 CCADLP CCOC(=O)C[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351607618 389632455 /nfs/dbraw/zinc/63/24/55/389632455.db2.gz WTHASYIKIQECKC-DGCLKSJQSA-N 2 2 272.389 0.715 20 0 CCADLP CCOC(=O)C[C@@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351607618 389632459 /nfs/dbraw/zinc/63/24/59/389632459.db2.gz WTHASYIKIQECKC-DGCLKSJQSA-N 2 2 272.389 0.715 20 0 CCADLP CCOC(=O)C[C@@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351607618 389632462 /nfs/dbraw/zinc/63/24/62/389632462.db2.gz WTHASYIKIQECKC-DGCLKSJQSA-N 2 2 272.389 0.715 20 0 CCADLP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC000414783485 389637665 /nfs/dbraw/zinc/63/76/65/389637665.db2.gz JUOHEOYXIYXAOK-UWVGGRQHSA-N 2 2 286.278 0.678 20 0 CCADLP CCCNC(=O)C1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351346348 389575942 /nfs/dbraw/zinc/57/59/42/389575942.db2.gz YTIGTEWVZNZWLI-HNNXBMFYSA-N 2 2 297.443 0.680 20 0 CCADLP CCCNC(=O)C1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351346348 389575947 /nfs/dbraw/zinc/57/59/47/389575947.db2.gz YTIGTEWVZNZWLI-HNNXBMFYSA-N 2 2 297.443 0.680 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)NC(=O)NC ZINC000177324596 389579343 /nfs/dbraw/zinc/57/93/43/389579343.db2.gz TYNFJHHODNHARM-NEPJUHHUSA-N 2 2 282.388 0.391 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)NC(=O)NC ZINC000177324596 389579346 /nfs/dbraw/zinc/57/93/46/389579346.db2.gz TYNFJHHODNHARM-NEPJUHHUSA-N 2 2 282.388 0.391 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)NC(=O)NC ZINC000177324596 389579350 /nfs/dbraw/zinc/57/93/50/389579350.db2.gz TYNFJHHODNHARM-NEPJUHHUSA-N 2 2 282.388 0.391 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)NC(=O)NC ZINC000177324596 389579355 /nfs/dbraw/zinc/57/93/55/389579355.db2.gz TYNFJHHODNHARM-NEPJUHHUSA-N 2 2 282.388 0.391 20 0 CCADLP CC(C)[C@@H](C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)[C@H](C)[NH3+] ZINC000423423363 389583873 /nfs/dbraw/zinc/58/38/73/389583873.db2.gz CCQXAKHILSMGGG-NWDGAFQWSA-N 2 2 298.431 0.014 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000423425891 389585340 /nfs/dbraw/zinc/58/53/40/389585340.db2.gz DOYZOQFJMGNCIA-ZFWWWQNUSA-N 3 2 296.459 0.517 20 0 CCADLP CCC[NH2+]CCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000423453939 389589794 /nfs/dbraw/zinc/58/97/94/389589794.db2.gz BQCZXHSOPVJBFZ-UHFFFAOYSA-N 2 2 273.340 0.997 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H]1C(=O)NC1CC1)C1CC1 ZINC000351490397 389591001 /nfs/dbraw/zinc/59/10/01/389591001.db2.gz LEZDKJQZRYFNTB-ZIAGYGMSSA-N 2 2 281.400 0.185 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H]1C(=O)NC1CC1)C1CC1 ZINC000351490397 389591003 /nfs/dbraw/zinc/59/10/03/389591003.db2.gz LEZDKJQZRYFNTB-ZIAGYGMSSA-N 2 2 281.400 0.185 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1)C1CC1 ZINC000351490397 389591007 /nfs/dbraw/zinc/59/10/07/389591007.db2.gz LEZDKJQZRYFNTB-ZIAGYGMSSA-N 2 2 281.400 0.185 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H]1C(=O)NC1CC1)C1CC1 ZINC000351490397 389591009 /nfs/dbraw/zinc/59/10/09/389591009.db2.gz LEZDKJQZRYFNTB-ZIAGYGMSSA-N 2 2 281.400 0.185 20 0 CCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000351505711 389599071 /nfs/dbraw/zinc/59/90/71/389599071.db2.gz BZRKYOSRQQGAQY-LSDHHAIUSA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[NH+]3CCCC[C@H]3C2)C1 ZINC000351505711 389599073 /nfs/dbraw/zinc/59/90/73/389599073.db2.gz BZRKYOSRQQGAQY-LSDHHAIUSA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)C1 ZINC000351505711 389599075 /nfs/dbraw/zinc/59/90/75/389599075.db2.gz BZRKYOSRQQGAQY-LSDHHAIUSA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[N@H+]3CCCC[C@H]3C2)C1 ZINC000351505711 389599078 /nfs/dbraw/zinc/59/90/78/389599078.db2.gz BZRKYOSRQQGAQY-LSDHHAIUSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1C[C@H]1C ZINC000414107739 389601001 /nfs/dbraw/zinc/60/10/01/389601001.db2.gz ZDHOFAMWJKVPCG-KBXIAJHMSA-N 2 2 295.427 0.554 20 0 CCADLP CC(C)[C@@H](O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000375747931 389708111 /nfs/dbraw/zinc/70/81/11/389708111.db2.gz WPIMJPYSNAXNCN-GXTWGEPZSA-N 2 2 283.416 0.288 20 0 CCADLP CC(C)[C@@H](O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000375747931 389708112 /nfs/dbraw/zinc/70/81/12/389708112.db2.gz WPIMJPYSNAXNCN-GXTWGEPZSA-N 2 2 283.416 0.288 20 0 CCADLP CC(C)[C@@H](O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000375747932 389708369 /nfs/dbraw/zinc/70/83/69/389708369.db2.gz WPIMJPYSNAXNCN-TZMCWYRMSA-N 2 2 283.416 0.288 20 0 CCADLP CC(C)[C@@H](O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000375747932 389708371 /nfs/dbraw/zinc/70/83/71/389708371.db2.gz WPIMJPYSNAXNCN-TZMCWYRMSA-N 2 2 283.416 0.288 20 0 CCADLP CCS(=O)(=O)NCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375763554 389710411 /nfs/dbraw/zinc/71/04/11/389710411.db2.gz NBCZPNYDMOLSGS-FUNVUKJBSA-N 2 2 289.445 0.483 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375763554 389710412 /nfs/dbraw/zinc/71/04/12/389710412.db2.gz NBCZPNYDMOLSGS-FUNVUKJBSA-N 2 2 289.445 0.483 20 0 CCADLP CCS(=O)(=O)NCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375763554 389710413 /nfs/dbraw/zinc/71/04/13/389710413.db2.gz NBCZPNYDMOLSGS-FUNVUKJBSA-N 2 2 289.445 0.483 20 0 CCADLP CCS(=O)(=O)NCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375763554 389710414 /nfs/dbraw/zinc/71/04/14/389710414.db2.gz NBCZPNYDMOLSGS-FUNVUKJBSA-N 2 2 289.445 0.483 20 0 CCADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CS(C)(=O)=O)C1 ZINC000182564076 389710664 /nfs/dbraw/zinc/71/06/64/389710664.db2.gz NACZPLKSCFHEES-RYUDHWBXSA-N 2 2 262.419 0.741 20 0 CCADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CS(C)(=O)=O)C1 ZINC000182564076 389710668 /nfs/dbraw/zinc/71/06/68/389710668.db2.gz NACZPLKSCFHEES-RYUDHWBXSA-N 2 2 262.419 0.741 20 0 CCADLP C[C@@H]1CN(CCC[NH+]2CCOCC2)[C@@H](C)C[N@@H+]1C ZINC000351933101 389717871 /nfs/dbraw/zinc/71/78/71/389717871.db2.gz AAZJYZUQVCPBFR-KGLIPLIRSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@@H]1CN(CCC[NH+]2CCOCC2)[C@@H](C)C[N@H+]1C ZINC000351933101 389717873 /nfs/dbraw/zinc/71/78/73/389717873.db2.gz AAZJYZUQVCPBFR-KGLIPLIRSA-N 2 2 255.406 0.733 20 0 CCADLP c1cn(CCCN2CC[NH+](C[C@H]3CCOC3)CC2)c[nH+]1 ZINC000182826700 389717938 /nfs/dbraw/zinc/71/79/38/389717938.db2.gz WYPYLNDVMBYRCB-OAHLLOKOSA-N 2 2 278.400 0.927 20 0 CCADLP COc1ccc(OC)c(C[NH2+]C[C@@H]2C[NH2+]CCN2C)c1 ZINC000414968169 389649227 /nfs/dbraw/zinc/64/92/27/389649227.db2.gz RLVLZZSTVVCZRS-ZDUSSCGKSA-N 2 2 279.384 0.697 20 0 CCADLP Cc1nc2ccccn2c1C[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414973407 389651010 /nfs/dbraw/zinc/65/10/10/389651010.db2.gz ZMSYZJMZOQMFFI-CYBMUJFWSA-N 2 2 273.384 0.636 20 0 CCADLP CC(C)N(C)c1ccc(C[N@H+](C)C[C@@H](O)C[NH3+])cn1 ZINC000415071376 389656112 /nfs/dbraw/zinc/65/61/12/389656112.db2.gz SUTCOSGNSNTRBR-ZDUSSCGKSA-N 2 2 266.389 0.678 20 0 CCADLP CC(C)N(C)c1ccc(C[N@@H+](C)C[C@@H](O)C[NH3+])cn1 ZINC000415071376 389656114 /nfs/dbraw/zinc/65/61/14/389656114.db2.gz SUTCOSGNSNTRBR-ZDUSSCGKSA-N 2 2 266.389 0.678 20 0 CCADLP O=S1(=O)CCC[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000375272385 389656494 /nfs/dbraw/zinc/65/64/94/389656494.db2.gz NRZJOSUGVCLRSD-NSHDSACASA-N 2 2 283.397 0.886 20 0 CCADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415098604 389658595 /nfs/dbraw/zinc/65/85/95/389658595.db2.gz WFGSYNCZMQZGGP-MGPQQGTHSA-N 3 2 255.406 0.875 20 0 CCADLP COc1cc(OC)c(OC)cc1C[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000415097631 389658661 /nfs/dbraw/zinc/65/86/61/389658661.db2.gz TZDNSCOORGRWKI-LBPRGKRZSA-N 2 2 296.367 0.790 20 0 CCADLP COc1cc2c(cc1C[N@@H+]1CCCO[C@@H](C[NH3+])C1)OCO2 ZINC000415104125 389659778 /nfs/dbraw/zinc/65/97/78/389659778.db2.gz GOFRKMJPTCIXDK-LBPRGKRZSA-N 2 2 294.351 0.974 20 0 CCADLP COc1cc2c(cc1C[N@H+]1CCCO[C@@H](C[NH3+])C1)OCO2 ZINC000415104125 389659780 /nfs/dbraw/zinc/65/97/80/389659780.db2.gz GOFRKMJPTCIXDK-LBPRGKRZSA-N 2 2 294.351 0.974 20 0 CCADLP Cc1cc(NC(=O)NCCCN2CC[NH2+]CC2)cc[nH+]1 ZINC000415400626 389680813 /nfs/dbraw/zinc/68/08/13/389680813.db2.gz SXVYINVDVDAGHE-UHFFFAOYSA-N 2 2 277.372 0.229 20 0 CCADLP C[C@H](CN1CCOCC1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181117359 389680850 /nfs/dbraw/zinc/68/08/50/389680850.db2.gz FFAFFUJCQFJBQD-CQSZACIVSA-N 2 2 266.389 0.926 20 0 CCADLP C[C@H](CN1CCOCC1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181117359 389680851 /nfs/dbraw/zinc/68/08/51/389680851.db2.gz FFAFFUJCQFJBQD-CQSZACIVSA-N 2 2 266.389 0.926 20 0 CCADLP O=C1CCC[C@H]1[C@H]1COCC[N@@H+]1CCn1cc[nH+]c1 ZINC000375535968 389685726 /nfs/dbraw/zinc/68/57/26/389685726.db2.gz SBINMIKOFLIOIR-QWHCGFSZSA-N 2 2 263.341 0.953 20 0 CCADLP O=C1CCC[C@H]1[C@H]1COCC[N@H+]1CCn1cc[nH+]c1 ZINC000375535968 389685727 /nfs/dbraw/zinc/68/57/27/389685727.db2.gz SBINMIKOFLIOIR-QWHCGFSZSA-N 2 2 263.341 0.953 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC000415577199 389693651 /nfs/dbraw/zinc/69/36/51/389693651.db2.gz YTGOSFYTDFHPSO-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)n(C)n1 ZINC000351856732 389700047 /nfs/dbraw/zinc/70/00/47/389700047.db2.gz VYJSTTMQAHWRRO-GHMZBOCLSA-N 2 2 265.361 0.336 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)n(C)n1 ZINC000351856732 389700054 /nfs/dbraw/zinc/70/00/54/389700054.db2.gz VYJSTTMQAHWRRO-GHMZBOCLSA-N 2 2 265.361 0.336 20 0 CCADLP C[C@@H]1OCC[C@]12C[N@H+](C[C@H](O)C[NH+](C)C1CC1)C[C@@H](C)O2 ZINC000352369516 389798878 /nfs/dbraw/zinc/79/88/78/389798878.db2.gz QPTSUHLTIZNAJJ-CLWVCHIJSA-N 2 2 298.427 0.710 20 0 CCADLP C[C@@H]1OCC[C@]12C[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C[C@@H](C)O2 ZINC000352369516 389798880 /nfs/dbraw/zinc/79/88/80/389798880.db2.gz QPTSUHLTIZNAJJ-CLWVCHIJSA-N 2 2 298.427 0.710 20 0 CCADLP C[C@@H]1OCC[C@]12C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C[C@@H](C)O2 ZINC000352369516 389798881 /nfs/dbraw/zinc/79/88/81/389798881.db2.gz QPTSUHLTIZNAJJ-CLWVCHIJSA-N 2 2 298.427 0.710 20 0 CCADLP C[C@@H]1OCC[C@]12C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C[C@@H](C)O2 ZINC000352369516 389798882 /nfs/dbraw/zinc/79/88/82/389798882.db2.gz QPTSUHLTIZNAJJ-CLWVCHIJSA-N 2 2 298.427 0.710 20 0 CCADLP C[C@H]1OCC[C@@]12C[N@H+](C[C@H](O)C[NH+](C)C1CC1)C[C@@H](C)O2 ZINC000352369518 389799106 /nfs/dbraw/zinc/79/91/06/389799106.db2.gz QPTSUHLTIZNAJJ-RRCSTGOVSA-N 2 2 298.427 0.710 20 0 CCADLP C[C@H]1OCC[C@@]12C[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C[C@@H](C)O2 ZINC000352369518 389799110 /nfs/dbraw/zinc/79/91/10/389799110.db2.gz QPTSUHLTIZNAJJ-RRCSTGOVSA-N 2 2 298.427 0.710 20 0 CCADLP C[C@H]1OCC[C@@]12C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C[C@@H](C)O2 ZINC000352369518 389799112 /nfs/dbraw/zinc/79/91/12/389799112.db2.gz QPTSUHLTIZNAJJ-RRCSTGOVSA-N 2 2 298.427 0.710 20 0 CCADLP C[C@H]1OCC[C@@]12C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C[C@@H](C)O2 ZINC000352369518 389799116 /nfs/dbraw/zinc/79/91/16/389799116.db2.gz QPTSUHLTIZNAJJ-RRCSTGOVSA-N 2 2 298.427 0.710 20 0 CCADLP CCOC(=O)[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000388820994 389770752 /nfs/dbraw/zinc/77/07/52/389770752.db2.gz WGTIWNZVYQUIKN-STQMWFEESA-N 2 2 272.389 0.574 20 0 CCADLP CCOC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000388820994 389770753 /nfs/dbraw/zinc/77/07/53/389770753.db2.gz WGTIWNZVYQUIKN-STQMWFEESA-N 2 2 272.389 0.574 20 0 CCADLP CCOC(=O)[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)CC)C1 ZINC000388820994 389770754 /nfs/dbraw/zinc/77/07/54/389770754.db2.gz WGTIWNZVYQUIKN-STQMWFEESA-N 2 2 272.389 0.574 20 0 CCADLP CCOC(=O)[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000388820994 389770755 /nfs/dbraw/zinc/77/07/55/389770755.db2.gz WGTIWNZVYQUIKN-STQMWFEESA-N 2 2 272.389 0.574 20 0 CCADLP Cc1cc(NC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)cc[nH+]1 ZINC000416953641 389784386 /nfs/dbraw/zinc/78/43/86/389784386.db2.gz PDQIANQMTRWFRS-CHWSQXEVSA-N 2 2 292.383 0.731 20 0 CCADLP Cc1cc(NC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)cc[nH+]1 ZINC000416953641 389784388 /nfs/dbraw/zinc/78/43/88/389784388.db2.gz PDQIANQMTRWFRS-CHWSQXEVSA-N 2 2 292.383 0.731 20 0 CCADLP CN(C)c1ccc(CNC(=O)N2CCC[C@@H]2C[NH3+])c[nH+]1 ZINC000416998610 389787770 /nfs/dbraw/zinc/78/77/70/389787770.db2.gz BFGQQLUHEPLANI-GFCCVEGCSA-N 2 2 277.372 0.780 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000430419087 389800296 /nfs/dbraw/zinc/80/02/96/389800296.db2.gz AGKMUGPKPGEYIH-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000430419087 389800300 /nfs/dbraw/zinc/80/03/00/389800300.db2.gz AGKMUGPKPGEYIH-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CC1(C(=O)N2CC[NH+](Cc3ccncc3)CC2)C[NH2+]C1 ZINC000399154745 389788861 /nfs/dbraw/zinc/78/88/61/389788861.db2.gz AXMULWMXWLRNRZ-UHFFFAOYSA-N 2 2 274.368 0.335 20 0 CCADLP [NH3+][C@@H](C(=O)N1CC[NH+](Cc2ccccn2)CC1)C1CCC1 ZINC000399197338 389788899 /nfs/dbraw/zinc/78/88/99/389788899.db2.gz SGXHFMPOWLBXER-OAHLLOKOSA-N 2 2 288.395 0.853 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000417045068 389791606 /nfs/dbraw/zinc/79/16/06/389791606.db2.gz ZDHAPBPFUAWYMP-UONOGXRCSA-N 2 2 298.431 0.539 20 0 CCADLP COC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)[C@@H]1CCCO1 ZINC000352358922 389797114 /nfs/dbraw/zinc/79/71/14/389797114.db2.gz ZYQHJKNBDFKIIR-IHRRRGAJSA-N 2 2 272.389 0.225 20 0 CCADLP COC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCCO1 ZINC000352358922 389797116 /nfs/dbraw/zinc/79/71/16/389797116.db2.gz ZYQHJKNBDFKIIR-IHRRRGAJSA-N 2 2 272.389 0.225 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000429041697 389734595 /nfs/dbraw/zinc/73/45/95/389734595.db2.gz PRORZUBBIBBQBQ-ZDUSSCGKSA-N 2 2 291.395 0.986 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000416431986 389741713 /nfs/dbraw/zinc/74/17/13/389741713.db2.gz CYQMZEOIJGAOCS-SNVBAGLBSA-N 2 2 287.314 0.570 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000416431981 389742004 /nfs/dbraw/zinc/74/20/04/389742004.db2.gz CYHCVZMWBJPCTD-MNOVXSKESA-N 2 2 253.350 0.569 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000416436519 389743166 /nfs/dbraw/zinc/74/31/66/389743166.db2.gz IZHROMLLHFWDIE-GXTWGEPZSA-N 2 2 279.388 0.961 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377195760 389745573 /nfs/dbraw/zinc/74/55/73/389745573.db2.gz FXTMZAAIRFMJBT-JSGCOSHPSA-N 3 2 282.432 0.254 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377195760 389745576 /nfs/dbraw/zinc/74/55/76/389745576.db2.gz FXTMZAAIRFMJBT-JSGCOSHPSA-N 3 2 282.432 0.254 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@@H](C2CC2)O1 ZINC000352364624 389798029 /nfs/dbraw/zinc/79/80/29/389798029.db2.gz GVTNRRFBLKSRBK-UGFHNGPFSA-N 2 2 268.401 0.941 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@@H](C2CC2)O1 ZINC000352364624 389798031 /nfs/dbraw/zinc/79/80/31/389798031.db2.gz GVTNRRFBLKSRBK-UGFHNGPFSA-N 2 2 268.401 0.941 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C[C@@H](C2CC2)O1 ZINC000352364624 389798033 /nfs/dbraw/zinc/79/80/33/389798033.db2.gz GVTNRRFBLKSRBK-UGFHNGPFSA-N 2 2 268.401 0.941 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C[C@@H](C2CC2)O1 ZINC000352364624 389798035 /nfs/dbraw/zinc/79/80/35/389798035.db2.gz GVTNRRFBLKSRBK-UGFHNGPFSA-N 2 2 268.401 0.941 20 0 CCADLP C[C@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)CC2(CCOCC2)O1 ZINC000352365620 389798212 /nfs/dbraw/zinc/79/82/12/389798212.db2.gz UOTQEEUPGFUZFT-ZFWWWQNUSA-N 2 2 298.427 0.711 20 0 CCADLP C[C@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)CC2(CCOCC2)O1 ZINC000352365620 389798214 /nfs/dbraw/zinc/79/82/14/389798214.db2.gz UOTQEEUPGFUZFT-ZFWWWQNUSA-N 2 2 298.427 0.711 20 0 CCADLP C[C@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC2(CCOCC2)O1 ZINC000352365620 389798215 /nfs/dbraw/zinc/79/82/15/389798215.db2.gz UOTQEEUPGFUZFT-ZFWWWQNUSA-N 2 2 298.427 0.711 20 0 CCADLP C[C@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC2(CCOCC2)O1 ZINC000352365620 389798219 /nfs/dbraw/zinc/79/82/19/389798219.db2.gz UOTQEEUPGFUZFT-ZFWWWQNUSA-N 2 2 298.427 0.711 20 0 CCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000430541568 389806310 /nfs/dbraw/zinc/80/63/10/389806310.db2.gz BLOADDJYESJVIN-MRXNPFEDSA-N 3 2 296.459 0.692 20 0 CCADLP C[C@@](C[NH3+])([NH2+]CC(=O)NCc1cccnc1)C1CC1 ZINC000430542701 389806498 /nfs/dbraw/zinc/80/64/98/389806498.db2.gz CXYWRGLMOIRJOD-AWEZNQCLSA-N 2 2 262.357 0.415 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CC(C)(C)C[NH3+])CC1 ZINC000430579552 389809280 /nfs/dbraw/zinc/80/92/80/389809280.db2.gz CHCMIDDNJWLUOH-ZDUSSCGKSA-N 3 2 284.448 0.456 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CC(C)(C)C[NH3+])CC1 ZINC000430579552 389809282 /nfs/dbraw/zinc/80/92/82/389809282.db2.gz CHCMIDDNJWLUOH-ZDUSSCGKSA-N 3 2 284.448 0.456 20 0 CCADLP CCc1nc(N2CC[C@H]3OCC[NH2+][C@H]3C2)cc(C)[nH+]1 ZINC000404262414 389810991 /nfs/dbraw/zinc/81/09/91/389810991.db2.gz OXLHCEYMGCAYEM-NWDGAFQWSA-N 2 2 262.357 0.915 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000430600264 389811239 /nfs/dbraw/zinc/81/12/39/389811239.db2.gz GYRVHTNNEMTXET-LLVKDONJSA-N 2 2 275.356 0.454 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000430600264 389811240 /nfs/dbraw/zinc/81/12/40/389811240.db2.gz GYRVHTNNEMTXET-LLVKDONJSA-N 2 2 275.356 0.454 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CCC([NH3+])CC1 ZINC000430608538 389811953 /nfs/dbraw/zinc/81/19/53/389811953.db2.gz FTXJWPVHTNJCII-SECBINFHSA-N 2 2 256.350 0.032 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)NC[C@H]([NH3+])C2CC2)CCO1 ZINC000417427556 389814526 /nfs/dbraw/zinc/81/45/26/389814526.db2.gz QIIUDNZOMHZQSP-LBPRGKRZSA-N 2 2 284.404 0.134 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)NC[C@H]([NH3+])C2CC2)CCO1 ZINC000417427556 389814530 /nfs/dbraw/zinc/81/45/30/389814530.db2.gz QIIUDNZOMHZQSP-LBPRGKRZSA-N 2 2 284.404 0.134 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC[C@@H]2CCCO2)C1 ZINC000430637968 389815202 /nfs/dbraw/zinc/81/52/02/389815202.db2.gz DXFWMNGKGCNDKC-RDBSUJKOSA-N 2 2 283.416 0.602 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC[C@@H]2CCCO2)C1 ZINC000430637968 389815204 /nfs/dbraw/zinc/81/52/04/389815204.db2.gz DXFWMNGKGCNDKC-RDBSUJKOSA-N 2 2 283.416 0.602 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](CCC(=O)NC(=O)Nc2ccccc2)C1 ZINC000430644479 389815407 /nfs/dbraw/zinc/81/54/07/389815407.db2.gz YUQASBNIOMJLPT-LLVKDONJSA-N 2 2 276.340 0.758 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](CCC(=O)NC(=O)Nc2ccccc2)C1 ZINC000430644479 389815409 /nfs/dbraw/zinc/81/54/09/389815409.db2.gz YUQASBNIOMJLPT-LLVKDONJSA-N 2 2 276.340 0.758 20 0 CCADLP CCCC[C@H](C[NH3+])NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000417501548 389821809 /nfs/dbraw/zinc/82/18/09/389821809.db2.gz AJRGNINYLCDMKD-CHWSQXEVSA-N 2 2 286.420 0.524 20 0 CCADLP CCCC[C@H](C[NH3+])NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000417501548 389821812 /nfs/dbraw/zinc/82/18/12/389821812.db2.gz AJRGNINYLCDMKD-CHWSQXEVSA-N 2 2 286.420 0.524 20 0 CCADLP C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000417513318 389824299 /nfs/dbraw/zinc/82/42/99/389824299.db2.gz XKBOLVVJBBGNPC-QWHCGFSZSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000417513318 389824302 /nfs/dbraw/zinc/82/43/02/389824302.db2.gz XKBOLVVJBBGNPC-QWHCGFSZSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H]1CN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC[C@H]1[NH3+] ZINC000417511494 389824342 /nfs/dbraw/zinc/82/43/42/389824342.db2.gz UICYMEYRKSVPBZ-CHWSQXEVSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H]1CN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC[C@H]1[NH3+] ZINC000417511494 389824344 /nfs/dbraw/zinc/82/43/44/389824344.db2.gz UICYMEYRKSVPBZ-CHWSQXEVSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H]1[NH2+]CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)[C@H]1C ZINC000417512997 389824489 /nfs/dbraw/zinc/82/44/89/389824489.db2.gz WJEZQQDIHLKUOL-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000417517844 389825348 /nfs/dbraw/zinc/82/53/48/389825348.db2.gz RGMWSAORNWCFLW-AGIUHOORSA-N 2 2 284.404 0.004 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000417517844 389825350 /nfs/dbraw/zinc/82/53/50/389825350.db2.gz RGMWSAORNWCFLW-AGIUHOORSA-N 2 2 284.404 0.004 20 0 CCADLP Cc1[nH+]ccn1CCCCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000430788882 389825527 /nfs/dbraw/zinc/82/55/27/389825527.db2.gz NXDFFMIGWPOFKR-LBPRGKRZSA-N 2 2 266.345 0.076 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000417529609 389827148 /nfs/dbraw/zinc/82/71/48/389827148.db2.gz QYOXXKXNPKYFFN-QWHCGFSZSA-N 2 2 286.420 0.380 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000417529609 389827150 /nfs/dbraw/zinc/82/71/50/389827150.db2.gz QYOXXKXNPKYFFN-QWHCGFSZSA-N 2 2 286.420 0.380 20 0 CCADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000417529252 389827159 /nfs/dbraw/zinc/82/71/59/389827159.db2.gz QNAHEVVTIIXCTM-UPJWGTAASA-N 2 2 284.404 0.086 20 0 CCADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000417529252 389827163 /nfs/dbraw/zinc/82/71/63/389827163.db2.gz QNAHEVVTIIXCTM-UPJWGTAASA-N 2 2 284.404 0.086 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCC1([NH3+])CCCCC1 ZINC000417526651 389827267 /nfs/dbraw/zinc/82/72/67/389827267.db2.gz NBRWRTYJLRHOTA-CYBMUJFWSA-N 2 2 298.431 0.668 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCC1([NH3+])CCCCC1 ZINC000417526651 389827269 /nfs/dbraw/zinc/82/72/69/389827269.db2.gz NBRWRTYJLRHOTA-CYBMUJFWSA-N 2 2 298.431 0.668 20 0 CCADLP C[NH2+][C@@H]1CCCN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000417533344 389828223 /nfs/dbraw/zinc/82/82/23/389828223.db2.gz XJHFHVFHHVYUII-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP C[NH2+][C@@H]1CCCN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC000417533344 389828226 /nfs/dbraw/zinc/82/82/26/389828226.db2.gz XJHFHVFHHVYUII-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H](CC(=O)NCC[N@@H+]1CCOC[C@@H]1C)[C@H]1CCC[NH2+]C1 ZINC000430878051 389830799 /nfs/dbraw/zinc/83/07/99/389830799.db2.gz GRBILCUMBTVMJA-ILXRZTDVSA-N 2 2 297.443 0.849 20 0 CCADLP C[C@H](CC(=O)NCC[N@H+]1CCOC[C@@H]1C)[C@H]1CCC[NH2+]C1 ZINC000430878051 389830800 /nfs/dbraw/zinc/83/08/00/389830800.db2.gz GRBILCUMBTVMJA-ILXRZTDVSA-N 2 2 297.443 0.849 20 0 CCADLP Cc1cc(N2CC[C@H]([N@@H+]3CC[C@@H](C[NH3+])C3)C2=O)n(C)n1 ZINC000430929294 389835673 /nfs/dbraw/zinc/83/56/73/389835673.db2.gz ORTYQDPTWUXDGA-RYUDHWBXSA-N 2 2 277.372 0.114 20 0 CCADLP Cc1cc(N2CC[C@H]([N@H+]3CC[C@@H](C[NH3+])C3)C2=O)n(C)n1 ZINC000430929294 389835677 /nfs/dbraw/zinc/83/56/77/389835677.db2.gz ORTYQDPTWUXDGA-RYUDHWBXSA-N 2 2 277.372 0.114 20 0 CCADLP Cn1ccc(N2CCC[C@@H]([N@@H+]3CC[C@H](C[NH3+])C3)C2=O)n1 ZINC000430929914 389835820 /nfs/dbraw/zinc/83/58/20/389835820.db2.gz XBBPNDCVVZDFRK-VXGBXAGGSA-N 2 2 277.372 0.196 20 0 CCADLP Cn1ccc(N2CCC[C@@H]([N@H+]3CC[C@H](C[NH3+])C3)C2=O)n1 ZINC000430929914 389835822 /nfs/dbraw/zinc/83/58/22/389835822.db2.gz XBBPNDCVVZDFRK-VXGBXAGGSA-N 2 2 277.372 0.196 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)NC(=O)NCC(F)(F)F)CC[C@H]1[NH3+] ZINC000430943697 389838564 /nfs/dbraw/zinc/83/85/64/389838564.db2.gz PVZCRTKYXMHLRU-HTQZYQBOSA-N 2 2 296.293 0.044 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)CC[C@H]1[NH3+] ZINC000430943697 389838565 /nfs/dbraw/zinc/83/85/65/389838565.db2.gz PVZCRTKYXMHLRU-HTQZYQBOSA-N 2 2 296.293 0.044 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418404117 389874780 /nfs/dbraw/zinc/87/47/80/389874780.db2.gz JBVWCMDFYCBHNF-UONOGXRCSA-N 2 2 298.431 0.478 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)[C@H]2CCC[C@@H]21 ZINC000353506812 389852792 /nfs/dbraw/zinc/85/27/92/389852792.db2.gz ZTVUACBTDNVGJM-FZKCQIBNSA-N 3 2 281.444 0.906 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)[C@H]2CCC[C@@H]21 ZINC000353506812 389852796 /nfs/dbraw/zinc/85/27/96/389852796.db2.gz ZTVUACBTDNVGJM-FZKCQIBNSA-N 3 2 281.444 0.906 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000417829748 389854156 /nfs/dbraw/zinc/85/41/56/389854156.db2.gz ITDUFPTXQNFAJP-DCAQKATOSA-N 2 2 275.343 0.736 20 0 CCADLP C[C@@H]1CN(C(=O)NCc2c[nH+]c(N(C)C)n2C)[C@H](C)C[NH2+]1 ZINC000417832044 389854173 /nfs/dbraw/zinc/85/41/73/389854173.db2.gz CTERSPKBDSZDLP-GHMZBOCLSA-N 2 2 294.403 0.378 20 0 CCADLP C[C@H]([NH3+])CN1CC[NH+](CC(=O)N(C)C2CCCCC2)CC1 ZINC000442664314 389854300 /nfs/dbraw/zinc/85/43/00/389854300.db2.gz WHTVDBFHYCYYMH-AWEZNQCLSA-N 2 2 296.459 0.742 20 0 CCADLP Cc1noc(C)c1C[NH+]1CCN(C[C@@H](C)[NH3+])CC1 ZINC000442664565 389854412 /nfs/dbraw/zinc/85/44/12/389854412.db2.gz MLZLJAKZBZPNBA-SNVBAGLBSA-N 2 2 252.362 0.756 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000442667209 389854555 /nfs/dbraw/zinc/85/45/55/389854555.db2.gz YPNIEEYMGTUASJ-WDEREUQCSA-N 2 2 263.407 0.127 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000442667209 389854558 /nfs/dbraw/zinc/85/45/58/389854558.db2.gz YPNIEEYMGTUASJ-WDEREUQCSA-N 2 2 263.407 0.127 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442764830 389862177 /nfs/dbraw/zinc/86/21/77/389862177.db2.gz IFOZSCUHGDNVBN-NWDGAFQWSA-N 2 2 262.419 0.869 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442764830 389862180 /nfs/dbraw/zinc/86/21/80/389862180.db2.gz IFOZSCUHGDNVBN-NWDGAFQWSA-N 2 2 262.419 0.869 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@H](C)[C@H](C)[NH3+])CCO1 ZINC000418730900 389883554 /nfs/dbraw/zinc/88/35/54/389883554.db2.gz SOORGCGZIXPPSC-QJPTWQEYSA-N 2 2 272.393 0.132 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@H](C)[C@H](C)[NH3+])CCO1 ZINC000418730900 389883557 /nfs/dbraw/zinc/88/35/57/389883557.db2.gz SOORGCGZIXPPSC-QJPTWQEYSA-N 2 2 272.393 0.132 20 0 CCADLP Nc1cc[nH+]cc1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000444180334 389895407 /nfs/dbraw/zinc/89/54/07/389895407.db2.gz GCQKXEDOJCOOBT-UHFFFAOYSA-N 2 2 285.351 0.999 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](O)C23CCCC3)CC1 ZINC000433035830 389897162 /nfs/dbraw/zinc/89/71/62/389897162.db2.gz ZVNHICMHNZVGCH-CYBMUJFWSA-N 2 2 281.400 0.140 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](O)C23CCCC3)CC1 ZINC000433035830 389897164 /nfs/dbraw/zinc/89/71/64/389897164.db2.gz ZVNHICMHNZVGCH-CYBMUJFWSA-N 2 2 281.400 0.140 20 0 CCADLP CC[N@H+](CCCS(C)(=O)=O)[C@@H]1CCC[NH2+]CC1 ZINC000435613782 389959410 /nfs/dbraw/zinc/95/94/10/389959410.db2.gz LBIBHBXVCMYCFP-GFCCVEGCSA-N 2 2 262.419 0.885 20 0 CCADLP CC[N@@H+](CCCS(C)(=O)=O)[C@@H]1CCC[NH2+]CC1 ZINC000435613782 389959411 /nfs/dbraw/zinc/95/94/11/389959411.db2.gz LBIBHBXVCMYCFP-GFCCVEGCSA-N 2 2 262.419 0.885 20 0 CCADLP CCCCNc1cc(N[C@@H]2CC[NH2+]C2)nc(N)[nH+]1 ZINC000420155621 389960017 /nfs/dbraw/zinc/96/00/17/389960017.db2.gz UNOODQBEQIDASC-SECBINFHSA-N 2 2 250.350 0.297 20 0 CCADLP C[NH2+]C[C@@H](C)CNc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000420189224 389963704 /nfs/dbraw/zinc/96/37/04/389963704.db2.gz GCVCNXGHYVHVEI-SNVBAGLBSA-N 2 2 266.393 0.750 20 0 CCADLP C[NH2+]C[C@@H](C)CNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000420189224 389963707 /nfs/dbraw/zinc/96/37/07/389963707.db2.gz GCVCNXGHYVHVEI-SNVBAGLBSA-N 2 2 266.393 0.750 20 0 CCADLP C[NH2+]CCC[N@@H+]1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000435874298 389964843 /nfs/dbraw/zinc/96/48/43/389964843.db2.gz IUECOCQWHJOBSP-CYBMUJFWSA-N 2 2 252.362 0.502 20 0 CCADLP C[NH2+]CCC[N@H+]1CCO[C@@H](Cn2cc(C)cn2)C1 ZINC000435874298 389964845 /nfs/dbraw/zinc/96/48/45/389964845.db2.gz IUECOCQWHJOBSP-CYBMUJFWSA-N 2 2 252.362 0.502 20 0 CCADLP C[NH2+]C[C@H](C)CNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000420195721 389964905 /nfs/dbraw/zinc/96/49/05/389964905.db2.gz KSLBVNLLBBTMSD-STQMWFEESA-N 2 2 293.415 0.953 20 0 CCADLP C[NH2+]C[C@H](C)CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000420195721 389964908 /nfs/dbraw/zinc/96/49/08/389964908.db2.gz KSLBVNLLBBTMSD-STQMWFEESA-N 2 2 293.415 0.953 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420265788 389975589 /nfs/dbraw/zinc/97/55/89/389975589.db2.gz CAMLTBLYTAJYJG-ULQDDVLXSA-N 3 2 291.439 0.849 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420265788 389975590 /nfs/dbraw/zinc/97/55/90/389975590.db2.gz CAMLTBLYTAJYJG-ULQDDVLXSA-N 3 2 291.439 0.849 20 0 CCADLP Cc1[nH+]ccn1CCCN1CC[NH+](C[C@@H](C)O)CC1 ZINC000444650711 389912431 /nfs/dbraw/zinc/91/24/31/389912431.db2.gz DYDBLOHPWMAMMV-CYBMUJFWSA-N 2 2 266.389 0.580 20 0 CCADLP Cc1[nH+]ccn1CCC[NH+]1CCN(C[C@@H](C)O)CC1 ZINC000444650711 389912433 /nfs/dbraw/zinc/91/24/33/389912433.db2.gz DYDBLOHPWMAMMV-CYBMUJFWSA-N 2 2 266.389 0.580 20 0 CCADLP CCOC1CC(O)(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000446840090 389942287 /nfs/dbraw/zinc/94/22/87/389942287.db2.gz XEQGRKXJDZPNTJ-CMAYJEJSSA-N 2 2 268.401 0.989 20 0 CCADLP CCOC1CC(O)(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000446840090 389942288 /nfs/dbraw/zinc/94/22/88/389942288.db2.gz XEQGRKXJDZPNTJ-CMAYJEJSSA-N 2 2 268.401 0.989 20 0 CCADLP c1ncn(CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000436481264 389977597 /nfs/dbraw/zinc/97/75/97/389977597.db2.gz VXLUHTDHWOEYEK-UHFFFAOYSA-N 2 2 286.383 0.927 20 0 CCADLP C[N@H+](CC(C)(C)C[NH3+])CC1(CS(C)(=O)=O)CC1 ZINC000420288092 389978621 /nfs/dbraw/zinc/97/86/21/389978621.db2.gz ITLWMJOIMFPKNB-UHFFFAOYSA-N 2 2 262.419 0.728 20 0 CCADLP C[N@@H+](CC(C)(C)C[NH3+])CC1(CS(C)(=O)=O)CC1 ZINC000420288092 389978624 /nfs/dbraw/zinc/97/86/24/389978624.db2.gz ITLWMJOIMFPKNB-UHFFFAOYSA-N 2 2 262.419 0.728 20 0 CCADLP CC(C)COCC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420304412 389980727 /nfs/dbraw/zinc/98/07/27/389980727.db2.gz IVRUTPSZOFTYNN-CQSZACIVSA-N 2 2 283.416 0.555 20 0 CCADLP CC(C)COCC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420304412 389980729 /nfs/dbraw/zinc/98/07/29/389980729.db2.gz IVRUTPSZOFTYNN-CQSZACIVSA-N 2 2 283.416 0.555 20 0 CCADLP CC(C)n1nnnc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000420307875 389981551 /nfs/dbraw/zinc/98/15/51/389981551.db2.gz NCGQEJVUBAIIHG-TUAOUCFPSA-N 2 2 264.377 0.813 20 0 CCADLP CC(C)n1nnnc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000420307875 389981553 /nfs/dbraw/zinc/98/15/53/389981553.db2.gz NCGQEJVUBAIIHG-TUAOUCFPSA-N 2 2 264.377 0.813 20 0 CCADLP CC[C@H](C)[C@@H](NC(=O)C[NH2+]CC1([NH3+])CCC1)C(=O)OC ZINC000420311681 389981882 /nfs/dbraw/zinc/98/18/82/389981882.db2.gz RELVTTUYLRCDAZ-CMPLNLGQSA-N 2 2 285.388 0.161 20 0 CCADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C[NH3+])c(C)c1 ZINC000420350719 389988216 /nfs/dbraw/zinc/98/82/16/389988216.db2.gz HYBATUFZAKSONQ-CHWSQXEVSA-N 2 2 279.384 0.882 20 0 CCADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C[NH3+])c(C)c1 ZINC000420350719 389988218 /nfs/dbraw/zinc/98/82/18/389988218.db2.gz HYBATUFZAKSONQ-CHWSQXEVSA-N 2 2 279.384 0.882 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH3+])[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000420350215 389988650 /nfs/dbraw/zinc/98/86/50/389988650.db2.gz GBEUUMHSLUZLTR-QWHCGFSZSA-N 2 2 297.786 0.697 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH3+])[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000420350215 389988652 /nfs/dbraw/zinc/98/86/52/389988652.db2.gz GBEUUMHSLUZLTR-QWHCGFSZSA-N 2 2 297.786 0.697 20 0 CCADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420351718 389988778 /nfs/dbraw/zinc/98/87/78/389988778.db2.gz KRAMZHBIFYGBIS-CABZTGNLSA-N 2 2 285.775 0.918 20 0 CCADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420351718 389988781 /nfs/dbraw/zinc/98/87/81/389988781.db2.gz KRAMZHBIFYGBIS-CABZTGNLSA-N 2 2 285.775 0.918 20 0 CCADLP CN(CC1CCCCC1)C(=O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000420351942 389989161 /nfs/dbraw/zinc/98/91/61/389989161.db2.gz LDWWKYBYKQXDQN-CYBMUJFWSA-N 2 2 271.405 0.277 20 0 CCADLP CN(CC1CCCCC1)C(=O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420351942 389989164 /nfs/dbraw/zinc/98/91/64/389989164.db2.gz LDWWKYBYKQXDQN-CYBMUJFWSA-N 2 2 271.405 0.277 20 0 CCADLP CC(C)[C@H](NC(=O)C[N@H+](C)C[C@H](O)C[NH3+])c1ccccc1 ZINC000420351319 389989220 /nfs/dbraw/zinc/98/92/20/389989220.db2.gz JUBIHUVACHLQEK-ZBFHGGJFSA-N 2 2 293.411 0.751 20 0 CCADLP CC(C)[C@H](NC(=O)C[N@@H+](C)C[C@H](O)C[NH3+])c1ccccc1 ZINC000420351319 389989222 /nfs/dbraw/zinc/98/92/22/389989222.db2.gz JUBIHUVACHLQEK-ZBFHGGJFSA-N 2 2 293.411 0.751 20 0 CCADLP C[N@H+](C[C@H](O)C[NH3+])[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000420356147 389990962 /nfs/dbraw/zinc/99/09/62/389990962.db2.gz QNEYCTIHFIQYCX-CHWSQXEVSA-N 2 2 297.786 0.697 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH3+])[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000420356147 389990964 /nfs/dbraw/zinc/99/09/64/389990964.db2.gz QNEYCTIHFIQYCX-CHWSQXEVSA-N 2 2 297.786 0.697 20 0 CCADLP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420361558 389991926 /nfs/dbraw/zinc/99/19/26/389991926.db2.gz YJXOECJDXMCOJE-PSASIEDQSA-N 2 2 287.310 0.543 20 0 CCADLP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420361558 389991927 /nfs/dbraw/zinc/99/19/27/389991927.db2.gz YJXOECJDXMCOJE-PSASIEDQSA-N 2 2 287.310 0.543 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000449442140 389993429 /nfs/dbraw/zinc/99/34/29/389993429.db2.gz JWIDNYKYBJLRSY-LOWVWBTDSA-N 2 2 289.445 0.387 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000449442140 389993431 /nfs/dbraw/zinc/99/34/31/389993431.db2.gz JWIDNYKYBJLRSY-LOWVWBTDSA-N 2 2 289.445 0.387 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+][C@H]1CCN(C2CC2)C1=O ZINC000420372778 389993769 /nfs/dbraw/zinc/99/37/69/389993769.db2.gz QPRPLCYMMHUCRJ-VCDKRKBESA-N 2 2 251.374 0.726 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+][C@H]1CCN(C2CC2)C1=O ZINC000420372776 389994036 /nfs/dbraw/zinc/99/40/36/389994036.db2.gz QPRPLCYMMHUCRJ-AAXDQBDMSA-N 2 2 251.374 0.726 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000449443706 389994119 /nfs/dbraw/zinc/99/41/19/389994119.db2.gz VBAFPZMLJKCLCF-IJLUTSLNSA-N 2 2 289.445 0.529 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000449443706 389994120 /nfs/dbraw/zinc/99/41/20/389994120.db2.gz VBAFPZMLJKCLCF-IJLUTSLNSA-N 2 2 289.445 0.529 20 0 CCADLP C[NH+](C)CC(C)(C)NC(=O)NCCn1cc[nH+]c1 ZINC000457476675 390044926 /nfs/dbraw/zinc/04/49/26/390044926.db2.gz WDSVDKZWLKQQBO-UHFFFAOYSA-N 2 2 253.350 0.523 20 0 CCADLP CC(C)(C)CCNC(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420387567 389995859 /nfs/dbraw/zinc/99/58/59/389995859.db2.gz KJTHMQZUQLMNJG-LBPRGKRZSA-N 2 2 271.405 0.588 20 0 CCADLP CC(C)(C)CCNC(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420387567 389995861 /nfs/dbraw/zinc/99/58/61/389995861.db2.gz KJTHMQZUQLMNJG-LBPRGKRZSA-N 2 2 271.405 0.588 20 0 CCADLP CN(C(=O)CO)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000450353275 389996504 /nfs/dbraw/zinc/99/65/04/389996504.db2.gz FBHJRTSHMQBVGJ-GJZGRUSLSA-N 2 2 297.443 0.774 20 0 CCADLP CN(C(=O)CO)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000450353275 389996505 /nfs/dbraw/zinc/99/65/05/389996505.db2.gz FBHJRTSHMQBVGJ-GJZGRUSLSA-N 2 2 297.443 0.774 20 0 CCADLP C[C@H]1CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000420409739 389998189 /nfs/dbraw/zinc/99/81/89/389998189.db2.gz QRGMUBHLJGWXOA-HJWJTTGWSA-N 3 2 291.439 0.834 20 0 CCADLP C[C@H]1CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000420409739 389998192 /nfs/dbraw/zinc/99/81/92/389998192.db2.gz QRGMUBHLJGWXOA-HJWJTTGWSA-N 3 2 291.439 0.834 20 0 CCADLP CS(=O)(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420469912 390008903 /nfs/dbraw/zinc/00/89/03/390008903.db2.gz LEBKJVRFYFLTBU-UHFFFAOYSA-N 2 2 297.424 0.529 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH+](C)C ZINC000439896017 390027794 /nfs/dbraw/zinc/02/77/94/390027794.db2.gz GFNNRMNAHBBPKA-WDEREUQCSA-N 2 2 250.346 0.512 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH+](C)C ZINC000439896009 390027863 /nfs/dbraw/zinc/02/78/63/390027863.db2.gz GFNNRMNAHBBPKA-GHMZBOCLSA-N 2 2 250.346 0.512 20 0 CCADLP CC1CC[NH+](CC(=O)N2CC[N@H+](CCO)C[C@@H]2C)CC1 ZINC000457094262 390027949 /nfs/dbraw/zinc/02/79/49/390027949.db2.gz HGHSNQMOVWFYLG-AWEZNQCLSA-N 2 2 283.416 0.243 20 0 CCADLP CC1CC[NH+](CC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)CC1 ZINC000457094262 390027950 /nfs/dbraw/zinc/02/79/50/390027950.db2.gz HGHSNQMOVWFYLG-AWEZNQCLSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000457099793 390028587 /nfs/dbraw/zinc/02/85/87/390028587.db2.gz NJPGTJCHHCJNFQ-OLZOCXBDSA-N 2 2 292.383 0.286 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000457099793 390028589 /nfs/dbraw/zinc/02/85/89/390028589.db2.gz NJPGTJCHHCJNFQ-OLZOCXBDSA-N 2 2 292.383 0.286 20 0 CCADLP C[NH+](C)C1CCC(NC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000420770689 390031141 /nfs/dbraw/zinc/03/11/41/390031141.db2.gz ZODVQIUGPVBXFQ-UHFFFAOYSA-N 2 2 298.431 0.491 20 0 CCADLP CN(CC[NH+](C)C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000440275135 390034021 /nfs/dbraw/zinc/03/40/21/390034021.db2.gz YZAPGWRWABHFDL-LLVKDONJSA-N 2 2 250.346 0.466 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000459395690 390073944 /nfs/dbraw/zinc/07/39/44/390073944.db2.gz COXOHRRFYLUFDX-CYBMUJFWSA-N 2 2 250.346 0.693 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@]1(C)C(N)=O ZINC000459395690 390073945 /nfs/dbraw/zinc/07/39/45/390073945.db2.gz COXOHRRFYLUFDX-CYBMUJFWSA-N 2 2 250.346 0.693 20 0 CCADLP O=C(/C=C/c1[nH]cc[nH+]1)NCCC[NH+]1CCOCC1 ZINC000493131023 390119111 /nfs/dbraw/zinc/11/91/11/390119111.db2.gz XHUDYQHHJCUDIW-NSCUHMNNSA-N 2 2 264.329 0.261 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[C@@H]2OCC[NH+](C)[C@H]2C1 ZINC000488364217 390093004 /nfs/dbraw/zinc/09/30/04/390093004.db2.gz HDMSMTGZHQJQAD-RFGFWPKPSA-N 2 2 281.400 0.116 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[C@@H]2OCC[NH+](C)[C@H]2C1 ZINC000488364217 390093005 /nfs/dbraw/zinc/09/30/05/390093005.db2.gz HDMSMTGZHQJQAD-RFGFWPKPSA-N 2 2 281.400 0.116 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000488364217 390093006 /nfs/dbraw/zinc/09/30/06/390093006.db2.gz HDMSMTGZHQJQAD-RFGFWPKPSA-N 2 2 281.400 0.116 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000488364217 390093007 /nfs/dbraw/zinc/09/30/07/390093007.db2.gz HDMSMTGZHQJQAD-RFGFWPKPSA-N 2 2 281.400 0.116 20 0 CCADLP CSC[C@@H](O)C[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000488555823 390094668 /nfs/dbraw/zinc/09/46/68/390094668.db2.gz BOFJEBRRACRMNZ-LBPRGKRZSA-N 2 2 284.429 0.262 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC000489331120 390099447 /nfs/dbraw/zinc/09/94/47/390099447.db2.gz OENNVDOIWYNFGO-OLZOCXBDSA-N 2 2 269.389 0.116 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC000489331120 390099448 /nfs/dbraw/zinc/09/94/48/390099448.db2.gz OENNVDOIWYNFGO-OLZOCXBDSA-N 2 2 269.389 0.116 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC000489331120 390099449 /nfs/dbraw/zinc/09/94/49/390099449.db2.gz OENNVDOIWYNFGO-OLZOCXBDSA-N 2 2 269.389 0.116 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC000489331120 390099450 /nfs/dbraw/zinc/09/94/50/390099450.db2.gz OENNVDOIWYNFGO-OLZOCXBDSA-N 2 2 269.389 0.116 20 0 CCADLP CN(C)c1nc(N[C@H]2CCn3cc[nH+]c3C2)cc[nH+]1 ZINC000489894382 390102720 /nfs/dbraw/zinc/10/27/20/390102720.db2.gz YSXYUAGOCRJNRQ-JTQLQIEISA-N 2 2 258.329 0.588 20 0 CCADLP Cc1nc(N(C)C)nc(N[C@H]2CCC[C@H]([NH+](C)C)C2)[nH+]1 ZINC000490131773 390104861 /nfs/dbraw/zinc/10/48/61/390104861.db2.gz CCOBXCATTATYQU-RYUDHWBXSA-N 2 2 278.404 0.953 20 0 CCADLP Cc1nc(N[C@H]2CCC[C@H]([NH+](C)C)C2)nc(N(C)C)[nH+]1 ZINC000490131773 390104862 /nfs/dbraw/zinc/10/48/62/390104862.db2.gz CCOBXCATTATYQU-RYUDHWBXSA-N 2 2 278.404 0.953 20 0 CCADLP O=C(NCCC[NH+]1CCCC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000490909177 390108483 /nfs/dbraw/zinc/10/84/83/390108483.db2.gz LEMYNXYKRCBZPJ-CYBMUJFWSA-N 2 2 291.399 0.983 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457861587 390050791 /nfs/dbraw/zinc/05/07/91/390050791.db2.gz PRLNGOHSBRJNSQ-ZDUSSCGKSA-N 2 2 264.373 0.953 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457861587 390050792 /nfs/dbraw/zinc/05/07/92/390050792.db2.gz PRLNGOHSBRJNSQ-ZDUSSCGKSA-N 2 2 264.373 0.953 20 0 CCADLP CCc1noc([C@@H](C)[N@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000647835280 390185745 /nfs/dbraw/zinc/18/57/45/390185745.db2.gz SWUQOXPZYUDZIF-LLVKDONJSA-N 2 2 267.377 0.530 20 0 CCADLP CCc1noc([C@@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000647835280 390185747 /nfs/dbraw/zinc/18/57/47/390185747.db2.gz SWUQOXPZYUDZIF-LLVKDONJSA-N 2 2 267.377 0.530 20 0 CCADLP Cc1cnc([C@H](C)[N@H+](C)CCN2CC[NH2+]CC2)o1 ZINC000647836250 390186925 /nfs/dbraw/zinc/18/69/25/390186925.db2.gz VTMITLXTQWKDAA-LBPRGKRZSA-N 2 2 252.362 0.881 20 0 CCADLP Cc1cnc([C@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)o1 ZINC000647836250 390186928 /nfs/dbraw/zinc/18/69/28/390186928.db2.gz VTMITLXTQWKDAA-LBPRGKRZSA-N 2 2 252.362 0.881 20 0 CCADLP Cc1cncc(/C=C/C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000493271522 390122056 /nfs/dbraw/zinc/12/20/56/390122056.db2.gz YVPHYIMRWSCUKZ-XGACYXMMSA-N 2 2 274.368 0.505 20 0 CCADLP Cc1cncc(/C=C/C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000493271522 390122057 /nfs/dbraw/zinc/12/20/57/390122057.db2.gz YVPHYIMRWSCUKZ-XGACYXMMSA-N 2 2 274.368 0.505 20 0 CCADLP O=C(/C=C/c1[nH]cc[nH+]1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000493448222 390125820 /nfs/dbraw/zinc/12/58/20/390125820.db2.gz IAJDQGFLAVWEIW-ITDFMYJTSA-N 2 2 290.367 0.746 20 0 CCADLP O=C(/C=C/c1[nH]cc[nH+]1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000493448223 390125842 /nfs/dbraw/zinc/12/58/42/390125842.db2.gz IAJDQGFLAVWEIW-OOPCZODUSA-N 2 2 290.367 0.746 20 0 CCADLP CCNC(=O)C[NH+]1CCN(CC[NH+]2CCC(C)CC2)CC1 ZINC000493815255 390127903 /nfs/dbraw/zinc/12/79/03/390127903.db2.gz HZVWLQHIPYPCQF-UHFFFAOYSA-N 2 2 296.459 0.472 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000493890057 390131861 /nfs/dbraw/zinc/13/18/61/390131861.db2.gz AGFSFYNBRDCINX-NXEZZACHSA-N 2 2 250.346 0.747 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000493937725 390135642 /nfs/dbraw/zinc/13/56/42/390135642.db2.gz SMGCLYRMYITEOS-RKDXNWHRSA-N 2 2 283.376 0.466 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000535721515 390148426 /nfs/dbraw/zinc/14/84/26/390148426.db2.gz GAIHBFYCFFYLMB-NEPJUHHUSA-N 2 2 282.413 0.825 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000535721515 390148430 /nfs/dbraw/zinc/14/84/30/390148430.db2.gz GAIHBFYCFFYLMB-NEPJUHHUSA-N 2 2 282.413 0.825 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+](C)CCN1CCCC1=O ZINC000535747008 390150480 /nfs/dbraw/zinc/15/04/80/390150480.db2.gz GMEQPLBXIWCJFZ-UHFFFAOYSA-N 2 2 250.346 0.746 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+](C)CCN1CCCC1=O ZINC000535747008 390150481 /nfs/dbraw/zinc/15/04/81/390150481.db2.gz GMEQPLBXIWCJFZ-UHFFFAOYSA-N 2 2 250.346 0.746 20 0 CCADLP CN(CC[NH+]1CCCC1)C(=O)C[NH+]1CC(C)(C)C1 ZINC000579243079 390156886 /nfs/dbraw/zinc/15/68/86/390156886.db2.gz LYKOVRNIDJRSEM-UHFFFAOYSA-N 2 2 253.390 0.882 20 0 CCADLP Cc1cc(NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c(C)c[nH+]1 ZINC000536620224 390168164 /nfs/dbraw/zinc/16/81/64/390168164.db2.gz KZWRWVPXKWXPNM-CYBMUJFWSA-N 2 2 291.399 0.488 20 0 CCADLP Cc1cc(NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)c(C)c[nH+]1 ZINC000536620224 390168167 /nfs/dbraw/zinc/16/81/67/390168167.db2.gz KZWRWVPXKWXPNM-CYBMUJFWSA-N 2 2 291.399 0.488 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000647845759 390190713 /nfs/dbraw/zinc/19/07/13/390190713.db2.gz JRGMUQBDIAPXJS-NEPJUHHUSA-N 2 2 274.430 0.870 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000647845759 390190715 /nfs/dbraw/zinc/19/07/15/390190715.db2.gz JRGMUQBDIAPXJS-NEPJUHHUSA-N 2 2 274.430 0.870 20 0 CCADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647798302 390174748 /nfs/dbraw/zinc/17/47/48/390174748.db2.gz PBNXICBOVAILOT-KLHDSHLOSA-N 3 2 281.444 0.811 20 0 CCADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647798302 390174753 /nfs/dbraw/zinc/17/47/53/390174753.db2.gz PBNXICBOVAILOT-KLHDSHLOSA-N 3 2 281.444 0.811 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1CNc1nc[nH+]c2c1OCCN2 ZINC000647868437 390200089 /nfs/dbraw/zinc/20/00/89/390200089.db2.gz VQAAMTZNCKGHGX-LLVKDONJSA-N 2 2 277.372 0.989 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1CNc1nc[nH+]c2c1OCCN2 ZINC000647868437 390200091 /nfs/dbraw/zinc/20/00/91/390200091.db2.gz VQAAMTZNCKGHGX-LLVKDONJSA-N 2 2 277.372 0.989 20 0 CCADLP NC(=O)[C@@H]1c2ccccc2CC[N@H+]1CCOCC[NH3+] ZINC000647882639 390206122 /nfs/dbraw/zinc/20/61/22/390206122.db2.gz HWLPRGIEZRBWKL-ZDUSSCGKSA-N 2 2 263.341 0.046 20 0 CCADLP NC(=O)[C@@H]1c2ccccc2CC[N@@H+]1CCOCC[NH3+] ZINC000647882639 390206126 /nfs/dbraw/zinc/20/61/26/390206126.db2.gz HWLPRGIEZRBWKL-ZDUSSCGKSA-N 2 2 263.341 0.046 20 0 CCADLP NC(=O)[C@H]1c2ccccc2CC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647882714 390206548 /nfs/dbraw/zinc/20/65/48/390206548.db2.gz UZMDSDJOJJKRJC-BXUZGUMPSA-N 2 2 259.353 0.681 20 0 CCADLP NC(=O)[C@H]1c2ccccc2CC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647882714 390206549 /nfs/dbraw/zinc/20/65/49/390206549.db2.gz UZMDSDJOJJKRJC-BXUZGUMPSA-N 2 2 259.353 0.681 20 0 CCADLP C[C@@H]1C[N@H+](CCCNC(=O)Cc2c[nH+]cn2C)CCCO1 ZINC000579748868 390206782 /nfs/dbraw/zinc/20/67/82/390206782.db2.gz RFGNSSYYGBREJB-CYBMUJFWSA-N 2 2 294.399 0.580 20 0 CCADLP C[C@@H]1C[N@@H+](CCCNC(=O)Cc2c[nH+]cn2C)CCCO1 ZINC000579748868 390206784 /nfs/dbraw/zinc/20/67/84/390206784.db2.gz RFGNSSYYGBREJB-CYBMUJFWSA-N 2 2 294.399 0.580 20 0 CCADLP C[C@H]1C[N@H+](CCN2CC[NH2+]CC2)C[C@H](C(F)(F)F)O1 ZINC000647889369 390210107 /nfs/dbraw/zinc/21/01/07/390210107.db2.gz KYLXAIKSGORJJC-WDEREUQCSA-N 2 2 281.322 0.543 20 0 CCADLP C[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)C[C@H](C(F)(F)F)O1 ZINC000647889369 390210110 /nfs/dbraw/zinc/21/01/10/390210110.db2.gz KYLXAIKSGORJJC-WDEREUQCSA-N 2 2 281.322 0.543 20 0 CCADLP CN1CCC[C@H]([NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)C1=O ZINC000539811870 390212798 /nfs/dbraw/zinc/21/27/98/390212798.db2.gz OHSBYCKBVGTKJF-LBPRGKRZSA-N 2 2 277.372 0.148 20 0 CCADLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(C(=O)N(C)C)cc1 ZINC000495055231 390214520 /nfs/dbraw/zinc/21/45/20/390214520.db2.gz ZTSQWISPBUQCSL-DOMZBBRYSA-N 2 2 293.411 0.962 20 0 CCADLP C[C@@H](C[NH2+]C[C@@H](O)CC(F)(F)F)C[NH+]1CCOCC1 ZINC000580064580 390216231 /nfs/dbraw/zinc/21/62/31/390216231.db2.gz LDCVBWPIFDMFJZ-QWRGUYRKSA-N 2 2 284.322 0.858 20 0 CCADLP CC[C@@H]1C[N@H+](C[C@H](C)CS(C)(=O)=O)CC[C@H]1[NH3+] ZINC000647936657 390222693 /nfs/dbraw/zinc/22/26/93/390222693.db2.gz JIINCDUDFPGAMW-QJPTWQEYSA-N 2 2 262.419 0.726 20 0 CCADLP CC[C@@H]1C[N@@H+](C[C@H](C)CS(C)(=O)=O)CC[C@H]1[NH3+] ZINC000647936657 390222696 /nfs/dbraw/zinc/22/26/96/390222696.db2.gz JIINCDUDFPGAMW-QJPTWQEYSA-N 2 2 262.419 0.726 20 0 CCADLP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)NCC1CCC1 ZINC000647956662 390227664 /nfs/dbraw/zinc/22/76/64/390227664.db2.gz TYTBAGWNLDJXLF-OAHLLOKOSA-N 2 2 265.401 0.978 20 0 CCADLP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)NCC1CCC1 ZINC000647956662 390227668 /nfs/dbraw/zinc/22/76/68/390227668.db2.gz TYTBAGWNLDJXLF-OAHLLOKOSA-N 2 2 265.401 0.978 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000494684058 390192586 /nfs/dbraw/zinc/19/25/86/390192586.db2.gz HEZCKKLSZLRSCQ-AWEZNQCLSA-N 3 2 296.459 0.661 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000494684060 390192807 /nfs/dbraw/zinc/19/28/07/390192807.db2.gz HEZCKKLSZLRSCQ-CQSZACIVSA-N 3 2 296.459 0.661 20 0 CCADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCO)c2cc1C ZINC000579618432 390193272 /nfs/dbraw/zinc/19/32/72/390193272.db2.gz SZUPROFZDUZWML-LBPRGKRZSA-N 2 2 263.341 0.596 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1C[N@H+](CCC(=O)Nc2cccnc2)CCO1 ZINC000647865866 390198121 /nfs/dbraw/zinc/19/81/21/390198121.db2.gz VRRXIKSTALLSHZ-YPMHNXCESA-N 2 2 278.356 0.458 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CCC(=O)Nc2cccnc2)CCO1 ZINC000647865866 390198123 /nfs/dbraw/zinc/19/81/23/390198123.db2.gz VRRXIKSTALLSHZ-YPMHNXCESA-N 2 2 278.356 0.458 20 0 CCADLP C[NH+](C)[C@@H]1CCCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000647866121 390198576 /nfs/dbraw/zinc/19/85/76/390198576.db2.gz FDCIAOMQQJYKMQ-SNVBAGLBSA-N 2 2 263.345 0.811 20 0 CCADLP O=c1[nH]nc(C2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)[nH]1 ZINC000647991581 390241160 /nfs/dbraw/zinc/24/11/60/390241160.db2.gz OCFLLEKNZOQARD-SECBINFHSA-N 2 2 251.334 0.299 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000580348031 390241481 /nfs/dbraw/zinc/24/14/81/390241481.db2.gz XIJLCXDGYPLZHZ-NSHDSACASA-N 2 2 263.345 0.661 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000580348031 390241483 /nfs/dbraw/zinc/24/14/83/390241483.db2.gz XIJLCXDGYPLZHZ-NSHDSACASA-N 2 2 263.345 0.661 20 0 CCADLP C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000647997625 390245246 /nfs/dbraw/zinc/24/52/46/390245246.db2.gz SLBQXSJDDYDHMZ-RKDXNWHRSA-N 2 2 254.334 0.609 20 0 CCADLP C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000647997625 390245247 /nfs/dbraw/zinc/24/52/47/390245247.db2.gz SLBQXSJDDYDHMZ-RKDXNWHRSA-N 2 2 254.334 0.609 20 0 CCADLP C[N@@H+]1CCC[C@H]([NH2+]C[C@H](O)COCc2ccco2)C1 ZINC000644547869 390250462 /nfs/dbraw/zinc/25/04/62/390250462.db2.gz DFMMCJRCFIUXRU-STQMWFEESA-N 2 2 268.357 0.841 20 0 CCADLP C[N@H+]1CCC[C@H]([NH2+]C[C@H](O)COCc2ccco2)C1 ZINC000644547869 390250465 /nfs/dbraw/zinc/25/04/65/390250465.db2.gz DFMMCJRCFIUXRU-STQMWFEESA-N 2 2 268.357 0.841 20 0 CCADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)C(=O)N(C)C ZINC000644562705 390253866 /nfs/dbraw/zinc/25/38/66/390253866.db2.gz JZKZODKMKQIKLM-UKRRQHHQSA-N 2 2 293.411 0.546 20 0 CCADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C(=O)N(C)C ZINC000644562705 390253868 /nfs/dbraw/zinc/25/38/68/390253868.db2.gz JZKZODKMKQIKLM-UKRRQHHQSA-N 2 2 293.411 0.546 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNc2cncc3nncn32)CC1 ZINC000542045175 390256716 /nfs/dbraw/zinc/25/67/16/390256716.db2.gz PKJWLXCYVKRBGU-UHFFFAOYSA-N 2 2 289.387 0.562 20 0 CCADLP COC[C@@H](O)C[NH2+]CCc1cn2cccc(C)c2[nH+]1 ZINC000644581641 390258481 /nfs/dbraw/zinc/25/84/81/390258481.db2.gz LKTJNVGVXVKXMJ-ZDUSSCGKSA-N 2 2 263.341 0.782 20 0 CCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2ccccn2)C1 ZINC000542486982 390261639 /nfs/dbraw/zinc/26/16/39/390261639.db2.gz XWYURCCKCYHTFI-CYBMUJFWSA-N 2 2 292.383 0.721 20 0 CCADLP COCC[N@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2ccccn2)C1 ZINC000542486982 390261642 /nfs/dbraw/zinc/26/16/42/390261642.db2.gz XWYURCCKCYHTFI-CYBMUJFWSA-N 2 2 292.383 0.721 20 0 CCADLP C[C@H](C[NH2+]C[C@@H]1CCCn2cc[nH+]c21)S(C)(=O)=O ZINC000644604302 390264630 /nfs/dbraw/zinc/26/46/30/390264630.db2.gz NUEBTQXNRGCFKY-MNOVXSKESA-N 2 2 271.386 0.783 20 0 CCADLP COc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1O ZINC000582192842 390269163 /nfs/dbraw/zinc/26/91/63/390269163.db2.gz VSLJTUSLGXOKHD-VXGBXAGGSA-N 2 2 291.351 0.145 20 0 CCADLP COc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1O ZINC000582192842 390269166 /nfs/dbraw/zinc/26/91/66/390269166.db2.gz VSLJTUSLGXOKHD-VXGBXAGGSA-N 2 2 291.351 0.145 20 0 CCADLP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCCC2(F)F)CC1 ZINC000644648063 390275721 /nfs/dbraw/zinc/27/57/21/390275721.db2.gz YQGICINBIUURTR-NWDGAFQWSA-N 2 2 277.359 0.372 20 0 CCADLP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000543085648 390278223 /nfs/dbraw/zinc/27/82/23/390278223.db2.gz SCNBEUWALCNAQD-RWMBFGLXSA-N 2 2 292.383 0.678 20 0 CCADLP CCn1cc[nH+]c1CN(CC(N)=O)[C@H]1CC12CC[NH2+]CC2 ZINC000583631557 390301443 /nfs/dbraw/zinc/30/14/43/390301443.db2.gz GXAOQJSJQHQKPS-LBPRGKRZSA-N 2 2 291.399 0.332 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](CN2CCOC2=O)C1 ZINC000496126370 390304721 /nfs/dbraw/zinc/30/47/21/390304721.db2.gz SSQNFQRKEWFPGY-STQMWFEESA-N 2 2 285.388 0.073 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](CN2CCOC2=O)C1 ZINC000496126370 390304725 /nfs/dbraw/zinc/30/47/25/390304725.db2.gz SSQNFQRKEWFPGY-STQMWFEESA-N 2 2 285.388 0.073 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](CN2CCOC2=O)C1 ZINC000496126370 390304727 /nfs/dbraw/zinc/30/47/27/390304727.db2.gz SSQNFQRKEWFPGY-STQMWFEESA-N 2 2 285.388 0.073 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](CN2CCOC2=O)C1 ZINC000496126370 390304731 /nfs/dbraw/zinc/30/47/31/390304731.db2.gz SSQNFQRKEWFPGY-STQMWFEESA-N 2 2 285.388 0.073 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000584002999 390332693 /nfs/dbraw/zinc/33/26/93/390332693.db2.gz RPLYDLXZPXWQMJ-CYBMUJFWSA-N 2 2 283.416 0.243 20 0 CCADLP C[N@@H+]1CC[C@](O)(CNC(=O)NCCCCn2cc[nH+]c2)C1 ZINC000545884878 390334012 /nfs/dbraw/zinc/33/40/12/390334012.db2.gz NJUNBVAFZTVQNZ-AWEZNQCLSA-N 2 2 295.387 0.029 20 0 CCADLP C[N@H+]1CC[C@](O)(CNC(=O)NCCCCn2cc[nH+]c2)C1 ZINC000545884878 390334014 /nfs/dbraw/zinc/33/40/14/390334014.db2.gz NJUNBVAFZTVQNZ-AWEZNQCLSA-N 2 2 295.387 0.029 20 0 CCADLP CN(C)c1[nH+]cc(C[NH+]2CCC3(COC(=O)N3)CC2)n1C ZINC000496311842 390337796 /nfs/dbraw/zinc/33/77/96/390337796.db2.gz OMIQQRKBOPBTFY-UHFFFAOYSA-N 2 2 293.371 0.561 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC000546565214 390351118 /nfs/dbraw/zinc/35/11/18/390351118.db2.gz OKAGFQZOUOYKSO-CQSZACIVSA-N 2 2 298.408 0.246 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC000546565214 390351122 /nfs/dbraw/zinc/35/11/22/390351122.db2.gz OKAGFQZOUOYKSO-CQSZACIVSA-N 2 2 298.408 0.246 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)C[C@H](C)[N@H+]1CCO ZINC000584539757 390354826 /nfs/dbraw/zinc/35/48/26/390354826.db2.gz CNKVTYWHQSIUAF-BETUJISGSA-N 2 2 283.416 0.242 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)C[C@H](C)[N@@H+]1CCO ZINC000584539757 390354830 /nfs/dbraw/zinc/35/48/30/390354830.db2.gz CNKVTYWHQSIUAF-BETUJISGSA-N 2 2 283.416 0.242 20 0 CCADLP Cc1cc(NC(=O)NCCOCC[NH+](C)C)c(C)c[nH+]1 ZINC000546743178 390359988 /nfs/dbraw/zinc/35/99/88/390359988.db2.gz VRKFSYXHJFKBIN-UHFFFAOYSA-N 2 2 280.372 0.820 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000496996258 390400048 /nfs/dbraw/zinc/40/00/48/390400048.db2.gz LHFUXVGVGGCHBS-VXGBXAGGSA-N 2 2 273.377 0.072 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000496996258 390400052 /nfs/dbraw/zinc/40/00/52/390400052.db2.gz LHFUXVGVGGCHBS-VXGBXAGGSA-N 2 2 273.377 0.072 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000496996258 390400054 /nfs/dbraw/zinc/40/00/54/390400054.db2.gz LHFUXVGVGGCHBS-VXGBXAGGSA-N 2 2 273.377 0.072 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000496996258 390400057 /nfs/dbraw/zinc/40/00/57/390400057.db2.gz LHFUXVGVGGCHBS-VXGBXAGGSA-N 2 2 273.377 0.072 20 0 CCADLP Cn1cc([C@@H](CO)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000623474533 390400866 /nfs/dbraw/zinc/40/08/66/390400866.db2.gz FEHOHILYHHEBIQ-CHWSQXEVSA-N 2 2 266.389 0.916 20 0 CCADLP Cn1cc([C@@H](CO)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000623474533 390400869 /nfs/dbraw/zinc/40/08/69/390400869.db2.gz FEHOHILYHHEBIQ-CHWSQXEVSA-N 2 2 266.389 0.916 20 0 CCADLP Cn1cc([C@H](CO)[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000623474536 390401268 /nfs/dbraw/zinc/40/12/68/390401268.db2.gz FEHOHILYHHEBIQ-STQMWFEESA-N 2 2 266.389 0.916 20 0 CCADLP Cn1cc([C@H](CO)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000623474536 390401270 /nfs/dbraw/zinc/40/12/70/390401270.db2.gz FEHOHILYHHEBIQ-STQMWFEESA-N 2 2 266.389 0.916 20 0 CCADLP COC(=O)[C@@](C)([NH2+]CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000554817630 390442696 /nfs/dbraw/zinc/44/26/96/390442696.db2.gz FQQJQIDMZBDANV-HNNXBMFYSA-N 2 2 297.399 0.082 20 0 CCADLP [NH3+]CCOCC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000645530132 390442770 /nfs/dbraw/zinc/44/27/70/390442770.db2.gz OZFRLRTZMFBCBF-UHFFFAOYSA-N 2 2 292.383 0.663 20 0 CCADLP C[C@@H](CNC(=O)N[C@H]1CCn2cc[nH+]c2C1)[N@H+](C)C1CC1 ZINC000548001581 390413667 /nfs/dbraw/zinc/41/36/67/390413667.db2.gz ROZHSLNJTAPNOV-RYUDHWBXSA-N 2 2 291.399 0.980 20 0 CCADLP C[C@@H](CNC(=O)N[C@H]1CCn2cc[nH+]c2C1)[N@@H+](C)C1CC1 ZINC000548001581 390413671 /nfs/dbraw/zinc/41/36/71/390413671.db2.gz ROZHSLNJTAPNOV-RYUDHWBXSA-N 2 2 291.399 0.980 20 0 CCADLP O=C(NCC[NH+]1CCOCC1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000643219720 390420328 /nfs/dbraw/zinc/42/03/28/390420328.db2.gz HQSXBXMNOLSJOE-ZDUSSCGKSA-N 2 2 296.415 0.102 20 0 CCADLP O=C(NCC[NH+]1CCOCC1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000643219720 390420331 /nfs/dbraw/zinc/42/03/31/390420331.db2.gz HQSXBXMNOLSJOE-ZDUSSCGKSA-N 2 2 296.415 0.102 20 0 CCADLP COC1([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)CCCC1 ZINC000643345001 390433661 /nfs/dbraw/zinc/43/36/61/390433661.db2.gz HMLCVUUNFVKOTM-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP COC1([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)CCCC1 ZINC000643345002 390433737 /nfs/dbraw/zinc/43/37/37/390433737.db2.gz HMLCVUUNFVKOTM-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)CC[NH+]1CCN(CC)CC1 ZINC000554635249 390437443 /nfs/dbraw/zinc/43/74/43/390437443.db2.gz BYPRCUGIYVTXNJ-OAHLLOKOSA-N 2 2 296.459 0.567 20 0 CCADLP C[C@@H](O)C[C@@H]1COCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000565313086 390502487 /nfs/dbraw/zinc/50/24/87/390502487.db2.gz ZJNIFGPQIMGMEH-TZMCWYRMSA-N 2 2 267.373 0.824 20 0 CCADLP C[C@@H](O)C[C@@H]1COCC[N@H+]1CCCc1c[nH+]cn1C ZINC000565313086 390502493 /nfs/dbraw/zinc/50/24/93/390502493.db2.gz ZJNIFGPQIMGMEH-TZMCWYRMSA-N 2 2 267.373 0.824 20 0 CCADLP OC[C@H](C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)Cc1ccco1 ZINC000643450965 390447298 /nfs/dbraw/zinc/44/72/98/390447298.db2.gz JYMUHEPTQHJJHF-MAZHCROVSA-N 2 2 294.395 0.787 20 0 CCADLP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000643462663 390448776 /nfs/dbraw/zinc/44/87/76/390448776.db2.gz AMGCWQXTGURRLG-KGLIPLIRSA-N 3 2 255.406 0.814 20 0 CCADLP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000643462663 390448779 /nfs/dbraw/zinc/44/87/79/390448779.db2.gz AMGCWQXTGURRLG-KGLIPLIRSA-N 3 2 255.406 0.814 20 0 CCADLP COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)C2C[NH2+]C2)C1=O ZINC000643466623 390450279 /nfs/dbraw/zinc/45/02/79/390450279.db2.gz JBISMUDZFDROFT-DGCLKSJQSA-N 2 2 289.379 0.998 20 0 CCADLP C[C@@H](Nc1ccc(N(C)CCO)c[nH+]1)C1C[NH2+]C1 ZINC000643478685 390453435 /nfs/dbraw/zinc/45/34/35/390453435.db2.gz WBQJEQIUKUHYCV-SNVBAGLBSA-N 2 2 250.346 0.530 20 0 CCADLP CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537698 390461302 /nfs/dbraw/zinc/46/13/02/390461302.db2.gz OKSVHCOIIJKCHZ-BJDJZHNGSA-N 2 2 278.393 0.632 20 0 CCADLP CC(C)[NH2+]CCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000515634073 390476358 /nfs/dbraw/zinc/47/63/58/390476358.db2.gz MKBYYYAHGYMEFM-KBPBESRZSA-N 3 2 255.406 0.731 20 0 CCADLP [NH3+]C1(C(=O)NCc2[nH]cc[nH+]2)Cc2ccccc2C1 ZINC000649333205 390588847 /nfs/dbraw/zinc/58/88/47/390588847.db2.gz FDKPCRPFSJUTKJ-UHFFFAOYSA-N 2 2 256.309 0.522 20 0 CCADLP CO[C@H](C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000565534593 390522645 /nfs/dbraw/zinc/52/26/45/390522645.db2.gz BSXWQZHXHSCHEN-AYRXBEOTSA-N 2 2 286.416 0.471 20 0 CCADLP CO[C@H](C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000565534593 390522646 /nfs/dbraw/zinc/52/26/46/390522646.db2.gz BSXWQZHXHSCHEN-AYRXBEOTSA-N 2 2 286.416 0.471 20 0 CCADLP CC(=O)N1CC[C@@]([NH3+])(C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000649334477 390589501 /nfs/dbraw/zinc/58/95/01/390589501.db2.gz LIEZQOJJRVZFLG-AWEZNQCLSA-N 2 2 287.323 0.223 20 0 CCADLP Cc1[nH+]cc2n1C[C@H](C(=O)NCC[NH+]1CCC1)CC2 ZINC000565659896 390533457 /nfs/dbraw/zinc/53/34/57/390533457.db2.gz IDSMVXAYXCGXGW-GFCCVEGCSA-N 2 2 262.357 0.576 20 0 CCADLP C[C@H](NC(=O)[C@H]1[NH2+]CC1(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000645937279 390536142 /nfs/dbraw/zinc/53/61/42/390536142.db2.gz GXSBIWVDIHJTJC-SDDRHHMPSA-N 2 2 269.389 0.210 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)CCO1 ZINC000649274297 390543101 /nfs/dbraw/zinc/54/31/01/390543101.db2.gz BFPNGCMIJNJJGV-AAEUAGOBSA-N 2 2 288.351 0.451 20 0 CCADLP C[C@H](C[NH2+]C[C@H](O)C(F)(F)F)C[NH+]1CCOCC1 ZINC000565770248 390543188 /nfs/dbraw/zinc/54/31/88/390543188.db2.gz LJRXURFAICMOSK-ZJUUUORDSA-N 2 2 270.295 0.468 20 0 CCADLP C[C@H](C[NH2+]C[C@@H](O)C(F)(F)F)C[NH+]1CCOCC1 ZINC000565770245 390543353 /nfs/dbraw/zinc/54/33/53/390543353.db2.gz LJRXURFAICMOSK-NXEZZACHSA-N 2 2 270.295 0.468 20 0 CCADLP CC1(C)C[NH2+][C@@H]1C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000649333404 390590406 /nfs/dbraw/zinc/59/04/06/390590406.db2.gz RKAVWADLJQUCCX-MELADBBJSA-N 2 2 295.427 0.744 20 0 CCADLP CS[C@@H](C)CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000565823983 390548828 /nfs/dbraw/zinc/54/88/28/390548828.db2.gz XIZODJQEPKKVEJ-VHSXEESVSA-N 2 2 260.407 0.022 20 0 CCADLP CS[C@@H](C)CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000565823983 390548835 /nfs/dbraw/zinc/54/88/35/390548835.db2.gz XIZODJQEPKKVEJ-VHSXEESVSA-N 2 2 260.407 0.022 20 0 CCADLP O=C(C[C@@H]1C[NH2+]CCO1)Nc1ccc2[nH+]ccn2c1 ZINC000645976370 390555795 /nfs/dbraw/zinc/55/57/95/390555795.db2.gz XMUOSVULRZOOPV-LLVKDONJSA-N 2 2 260.297 0.651 20 0 CCADLP [NH3+]C1(CNC(=O)c2ccc(-n3cc[nH+]c3)nn2)CCC1 ZINC000566008053 390566725 /nfs/dbraw/zinc/56/67/25/390566725.db2.gz GOUYWPLRMJCSBT-UHFFFAOYSA-N 2 2 272.312 0.274 20 0 CCADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649320449 390576900 /nfs/dbraw/zinc/57/69/00/390576900.db2.gz AJHQXPIHEUAIBD-HLTSFMKQSA-N 2 2 288.273 0.812 20 0 CCADLP CC1(C)C[NH2+][C@H]1C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000649319743 390577532 /nfs/dbraw/zinc/57/75/32/390577532.db2.gz VNXYKMZJMKLHFS-KGLIPLIRSA-N 2 2 295.427 0.698 20 0 CCADLP [NH3+]CCOCC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000646033794 390578102 /nfs/dbraw/zinc/57/81/02/390578102.db2.gz RPJAWDSRRLAKOZ-UHFFFAOYSA-N 2 2 288.351 0.160 20 0 CCADLP C[C@H](NC(=O)NCC[C@H]1CCC[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000521985459 390617311 /nfs/dbraw/zinc/61/73/11/390617311.db2.gz HPAGENGTPKTBIZ-MELADBBJSA-N 2 2 298.431 0.537 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@@H](CCO)C2CCOCC2)n1C ZINC000566496649 390623675 /nfs/dbraw/zinc/62/36/75/390623675.db2.gz KUJKMVQKBUECPN-AWEZNQCLSA-N 2 2 267.373 0.996 20 0 CCADLP CC[NH+](CC)CCCNC(=O)[C@H]([NH3+])c1cscn1 ZINC000566622361 390634236 /nfs/dbraw/zinc/63/42/36/390634236.db2.gz UAZCQKUHASOENT-LLVKDONJSA-N 2 2 270.402 0.991 20 0 CCADLP C[C@@H]([NH3+])CCC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000646265078 390653673 /nfs/dbraw/zinc/65/36/73/390653673.db2.gz KRZWTRIIRWFNGB-NEPJUHHUSA-N 2 2 262.357 0.904 20 0 CCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000646264921 390654036 /nfs/dbraw/zinc/65/40/36/390654036.db2.gz DDGWOTVEDCEEGS-XJKCOSOUSA-N 2 2 286.379 0.776 20 0 CCADLP [NH3+][C@@H](CC(F)F)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000646265005 390654052 /nfs/dbraw/zinc/65/40/52/390654052.db2.gz IHDGAXMLAXJMCT-ZJUUUORDSA-N 2 2 284.310 0.759 20 0 CCADLP CN1CC[C@@H]([N@@H+]2CCOC3(CC[NH+](C)CC3)C2)C1=O ZINC000646104233 390597696 /nfs/dbraw/zinc/59/76/96/390597696.db2.gz DHZDCUHGCHVADZ-GFCCVEGCSA-N 2 2 267.373 0.014 20 0 CCADLP CN1CC[C@@H]([N@H+]2CCOC3(CC[NH+](C)CC3)C2)C1=O ZINC000646104233 390597700 /nfs/dbraw/zinc/59/77/00/390597700.db2.gz DHZDCUHGCHVADZ-GFCCVEGCSA-N 2 2 267.373 0.014 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)C[C@H]1CCC[NH+](C)C1 ZINC000566413772 390599035 /nfs/dbraw/zinc/59/90/35/390599035.db2.gz JAXAGCSAMZBVKV-KBPBESRZSA-N 3 2 257.422 0.573 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@H]1CCC[NH+](C)C1 ZINC000566413772 390599039 /nfs/dbraw/zinc/59/90/39/390599039.db2.gz JAXAGCSAMZBVKV-KBPBESRZSA-N 3 2 257.422 0.573 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000566413772 390599041 /nfs/dbraw/zinc/59/90/41/390599041.db2.gz JAXAGCSAMZBVKV-KBPBESRZSA-N 3 2 257.422 0.573 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000566413772 390599044 /nfs/dbraw/zinc/59/90/44/390599044.db2.gz JAXAGCSAMZBVKV-KBPBESRZSA-N 3 2 257.422 0.573 20 0 CCADLP Nc1cc[nH+]cc1C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000521626789 390612020 /nfs/dbraw/zinc/61/20/20/390612020.db2.gz LHNJNYGCVYAVLJ-UHFFFAOYSA-N 2 2 297.362 0.847 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H](C)[N@H+]1C ZINC000567615943 390706929 /nfs/dbraw/zinc/70/69/29/390706929.db2.gz NNJGABLEGGRYHD-FRRDWIJNSA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H](C)[N@@H+]1C ZINC000567615943 390706930 /nfs/dbraw/zinc/70/69/30/390706930.db2.gz NNJGABLEGGRYHD-FRRDWIJNSA-N 2 2 276.384 0.997 20 0 CCADLP CN(C)S(=O)(=O)CC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000570813131 390719813 /nfs/dbraw/zinc/71/98/13/390719813.db2.gz MKKPLWLWBREJJR-NSHDSACASA-N 2 2 286.401 0.101 20 0 CCADLP CN(C)S(=O)(=O)CC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000570813131 390719815 /nfs/dbraw/zinc/71/98/15/390719815.db2.gz MKKPLWLWBREJJR-NSHDSACASA-N 2 2 286.401 0.101 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC000570860635 390721844 /nfs/dbraw/zinc/72/18/44/390721844.db2.gz ZGLBFLMMVNSXAX-NSHDSACASA-N 2 2 263.345 0.235 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC000570860635 390721845 /nfs/dbraw/zinc/72/18/45/390721845.db2.gz ZGLBFLMMVNSXAX-NSHDSACASA-N 2 2 263.345 0.235 20 0 CCADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CCOCC1 ZINC000570865767 390722607 /nfs/dbraw/zinc/72/26/07/390722607.db2.gz HAUANZLWTZOBDD-QWHCGFSZSA-N 3 2 255.406 0.957 20 0 CCADLP Cc1ncncc1[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000566983880 390664381 /nfs/dbraw/zinc/66/43/81/390664381.db2.gz STOXILDHYHFGMW-GWCFXTLKSA-N 2 2 250.346 0.502 20 0 CCADLP Cc1ncncc1[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000566983880 390664385 /nfs/dbraw/zinc/66/43/85/390664385.db2.gz STOXILDHYHFGMW-GWCFXTLKSA-N 2 2 250.346 0.502 20 0 CCADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646336122 390666973 /nfs/dbraw/zinc/66/69/73/390666973.db2.gz IYCGAZKXTPQYJA-GUBZILKMSA-N 2 2 259.300 0.194 20 0 CCADLP C(C[NH+]1CCOCC1)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000567170374 390676773 /nfs/dbraw/zinc/67/67/73/390676773.db2.gz ZLYXGXQRQPQOTL-GASCZTMLSA-N 3 2 267.417 0.640 20 0 CCADLP C(C[NH+]1CCOCC1)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000567170374 390676774 /nfs/dbraw/zinc/67/67/74/390676774.db2.gz ZLYXGXQRQPQOTL-GASCZTMLSA-N 3 2 267.417 0.640 20 0 CCADLP CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567167135 390677037 /nfs/dbraw/zinc/67/70/37/390677037.db2.gz DOZJFHDLPCJBEQ-TZMCWYRMSA-N 2 2 253.390 0.977 20 0 CCADLP CC[C@@H](C)NC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567167135 390677039 /nfs/dbraw/zinc/67/70/39/390677039.db2.gz DOZJFHDLPCJBEQ-TZMCWYRMSA-N 2 2 253.390 0.977 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)Cn2cc[nH+]c2)CCO1 ZINC000571342656 390731573 /nfs/dbraw/zinc/73/15/73/390731573.db2.gz WDAZIVWMFZIHNS-UHFFFAOYSA-N 2 2 266.345 0.110 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)Cn2cc[nH+]c2)CCO1 ZINC000571342656 390731575 /nfs/dbraw/zinc/73/15/75/390731575.db2.gz WDAZIVWMFZIHNS-UHFFFAOYSA-N 2 2 266.345 0.110 20 0 CCADLP COC[C@H](C)C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000527116505 390693076 /nfs/dbraw/zinc/69/30/76/390693076.db2.gz VBOZJGYGVBVPID-CYBMUJFWSA-N 2 2 293.415 0.947 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)[C@H](C[NH3+])C1 ZINC000567361785 390695042 /nfs/dbraw/zinc/69/50/42/390695042.db2.gz KWKGWVAAMOHGAD-RBSFLKMASA-N 2 2 288.395 0.827 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)[C@H](C[NH3+])C1 ZINC000567361785 390695043 /nfs/dbraw/zinc/69/50/43/390695043.db2.gz KWKGWVAAMOHGAD-RBSFLKMASA-N 2 2 288.395 0.827 20 0 CCADLP C[C@H](C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+]1CC(C)C1 ZINC000567486834 390701373 /nfs/dbraw/zinc/70/13/73/390701373.db2.gz WDPIUAMDEDWLDA-MCIONIFRSA-N 2 2 281.400 0.306 20 0 CCADLP C[C@H](C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+]1CC(C)C1 ZINC000567486834 390701376 /nfs/dbraw/zinc/70/13/76/390701376.db2.gz WDPIUAMDEDWLDA-MCIONIFRSA-N 2 2 281.400 0.306 20 0 CCADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)N[C@H]1CC[NH2+]C1 ZINC000646634463 390702047 /nfs/dbraw/zinc/70/20/47/390702047.db2.gz CLEHFNVDLAVQLC-AWEZNQCLSA-N 2 2 284.363 0.952 20 0 CCADLP [NH3+]C1(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CCC1 ZINC000571915949 390759296 /nfs/dbraw/zinc/75/92/96/390759296.db2.gz NRKJPTZMYJUYDH-CYBMUJFWSA-N 2 2 299.440 0.192 20 0 CCADLP C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC000647035295 390762118 /nfs/dbraw/zinc/76/21/18/390762118.db2.gz WTIRUGLJOUNJPX-BBRMVZONSA-N 2 2 288.395 1.000 20 0 CCADLP C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC000647035295 390762119 /nfs/dbraw/zinc/76/21/19/390762119.db2.gz WTIRUGLJOUNJPX-BBRMVZONSA-N 2 2 288.395 1.000 20 0 CCADLP CC(C)(CNC(=O)NCC1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000572346804 390779141 /nfs/dbraw/zinc/77/91/41/390779141.db2.gz SXIZPEMVRDXJIM-UHFFFAOYSA-N 2 2 298.431 0.396 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]Cc2ccc(O)cc2)C[C@@H](C)O1 ZINC000572356882 390779442 /nfs/dbraw/zinc/77/94/42/390779442.db2.gz ZRTLNOLATGKSNF-IOASZLSFSA-N 2 2 294.395 0.952 20 0 CCADLP C([NH2+]C[C@@H]1CCCO1)c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000647156801 390780792 /nfs/dbraw/zinc/78/07/92/390780792.db2.gz SDKWXZNOHPXEDV-UWVGGRQHSA-N 2 2 252.318 0.763 20 0 CCADLP C([NH2+]C[C@H]1CCCO1)c1nc([C@H]2CCC[NH2+]2)no1 ZINC000647156800 390780804 /nfs/dbraw/zinc/78/08/04/390780804.db2.gz SDKWXZNOHPXEDV-NXEZZACHSA-N 2 2 252.318 0.763 20 0 CCADLP CC[N@@H+](CCNC(=O)N1CC[NH+](C)C[C@H]1C[NH3+])C(C)C ZINC000572380313 390781100 /nfs/dbraw/zinc/78/11/00/390781100.db2.gz VHRIAUFFJRFKSY-CYBMUJFWSA-N 3 2 285.436 0.001 20 0 CCADLP CC[NH+](CCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C(C)C ZINC000572380313 390781101 /nfs/dbraw/zinc/78/11/01/390781101.db2.gz VHRIAUFFJRFKSY-CYBMUJFWSA-N 3 2 285.436 0.001 20 0 CCADLP CC[NH+](CCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C(C)C ZINC000572380313 390781102 /nfs/dbraw/zinc/78/11/02/390781102.db2.gz VHRIAUFFJRFKSY-CYBMUJFWSA-N 3 2 285.436 0.001 20 0 CCADLP Cc1ccccc1[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000572605739 390792237 /nfs/dbraw/zinc/79/22/37/390792237.db2.gz XFEKKQDSYMQEAV-DZGCQCFKSA-N 2 2 291.395 0.832 20 0 CCADLP Cc1ccccc1[C@@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000572605739 390792238 /nfs/dbraw/zinc/79/22/38/390792238.db2.gz XFEKKQDSYMQEAV-DZGCQCFKSA-N 2 2 291.395 0.832 20 0 CCADLP CC(C)[C@@H](NC(=O)C[NH2+]C[C@H]1CCCO1)c1[nH]cc[nH+]1 ZINC000572639046 390793733 /nfs/dbraw/zinc/79/37/33/390793733.db2.gz KNJQNVPCEPWGMK-DGCLKSJQSA-N 2 2 280.372 0.992 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000572673728 390796679 /nfs/dbraw/zinc/79/66/79/390796679.db2.gz MAGSPGLKGPJIKY-LLVKDONJSA-N 2 2 250.346 0.895 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000572673728 390796680 /nfs/dbraw/zinc/79/66/80/390796680.db2.gz MAGSPGLKGPJIKY-LLVKDONJSA-N 2 2 250.346 0.895 20 0 CCADLP [NH3+][C@@H](C(=O)NCC1C[NH2+]C1)c1c(F)cccc1F ZINC000646901773 390736326 /nfs/dbraw/zinc/73/63/26/390736326.db2.gz NQNPMMDHRFAMTI-LLVKDONJSA-N 2 2 255.268 0.300 20 0 CCADLP C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC000646911977 390738411 /nfs/dbraw/zinc/73/84/11/390738411.db2.gz KRDNECOLBSBNPZ-RWMBFGLXSA-N 2 2 274.368 0.608 20 0 CCADLP C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC000646911977 390738414 /nfs/dbraw/zinc/73/84/14/390738414.db2.gz KRDNECOLBSBNPZ-RWMBFGLXSA-N 2 2 274.368 0.608 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000528419551 390742174 /nfs/dbraw/zinc/74/21/74/390742174.db2.gz HLJQXGDOFBGIKN-GFCCVEGCSA-N 2 2 266.345 0.028 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000528419551 390742176 /nfs/dbraw/zinc/74/21/76/390742176.db2.gz HLJQXGDOFBGIKN-GFCCVEGCSA-N 2 2 266.345 0.028 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000577961588 390856366 /nfs/dbraw/zinc/85/63/66/390856366.db2.gz XIMFAQWOGBRHOZ-MFKMUULPSA-N 2 2 268.361 0.017 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000577961588 390856375 /nfs/dbraw/zinc/85/63/75/390856375.db2.gz XIMFAQWOGBRHOZ-MFKMUULPSA-N 2 2 268.361 0.017 20 0 CCADLP CCN1CCN(C(=O)N[C@H]2CC[NH2+]C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000578207266 390871341 /nfs/dbraw/zinc/87/13/41/390871341.db2.gz QKCGSHSLFKMRSH-RYUDHWBXSA-N 2 2 292.387 0.160 20 0 CCADLP COC[C@@H](C)OC[C@H](O)C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000578232663 390871859 /nfs/dbraw/zinc/87/18/59/390871859.db2.gz BMYRMLYNSVSCLA-TZMCWYRMSA-N 2 2 297.399 0.721 20 0 CCADLP Cc1cc(CNC(=O)NC[C@H]2COCC[NH2+]2)cc(C)[nH+]1 ZINC000529338415 390812657 /nfs/dbraw/zinc/81/26/57/390812657.db2.gz DFXKWVLHJDXOGH-ZDUSSCGKSA-N 2 2 278.356 0.486 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H](C)[N@H+]1C ZINC000647393160 390816208 /nfs/dbraw/zinc/81/62/08/390816208.db2.gz HLHZNRZHNQBKQG-FRRDWIJNSA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H](C)[N@@H+]1C ZINC000647393160 390816209 /nfs/dbraw/zinc/81/62/09/390816209.db2.gz HLHZNRZHNQBKQG-FRRDWIJNSA-N 2 2 276.384 0.997 20 0 CCADLP CC[NH+]1CCC(NC[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000574911848 390823304 /nfs/dbraw/zinc/82/33/04/390823304.db2.gz GMJAFBLLJLGORQ-DZKIICNBSA-N 2 2 299.459 0.530 20 0 CCADLP Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])c(C)[nH+]1 ZINC000647494526 390823990 /nfs/dbraw/zinc/82/39/90/390823990.db2.gz ZBKJJNXGYJDFBW-WPRPVWTQSA-N 2 2 278.356 0.879 20 0 CCADLP COCc1nc(C[N@H+](C)CCN2CC[NH2+]CC2)cs1 ZINC000647492943 390824302 /nfs/dbraw/zinc/82/43/02/390824302.db2.gz JXOZEVYKTWFVQU-UHFFFAOYSA-N 2 2 284.429 0.627 20 0 CCADLP COCc1nc(C[N@@H+](C)CCN2CC[NH2+]CC2)cs1 ZINC000647492943 390824305 /nfs/dbraw/zinc/82/43/05/390824305.db2.gz JXOZEVYKTWFVQU-UHFFFAOYSA-N 2 2 284.429 0.627 20 0 CCADLP Nc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cn1 ZINC000647517491 390829493 /nfs/dbraw/zinc/82/94/93/390829493.db2.gz QRTCSYNLOBQVTG-AWEZNQCLSA-N 2 2 276.384 0.648 20 0 CCADLP Nc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cn1 ZINC000647517491 390829496 /nfs/dbraw/zinc/82/94/96/390829496.db2.gz QRTCSYNLOBQVTG-AWEZNQCLSA-N 2 2 276.384 0.648 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000529494572 390838105 /nfs/dbraw/zinc/83/81/05/390838105.db2.gz QMCQGRJXWKFCNU-UHFFFAOYSA-N 2 2 294.399 0.761 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)C[C@@H](O)Cc1ccccc1 ZINC000578375888 390880633 /nfs/dbraw/zinc/88/06/33/390880633.db2.gz JSDZIFKIRWTTCA-HOTGVXAUSA-N 2 2 280.412 0.834 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@@H](O)Cc1ccccc1 ZINC000578375888 390880636 /nfs/dbraw/zinc/88/06/36/390880636.db2.gz JSDZIFKIRWTTCA-HOTGVXAUSA-N 2 2 280.412 0.834 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000578375888 390880638 /nfs/dbraw/zinc/88/06/38/390880638.db2.gz JSDZIFKIRWTTCA-HOTGVXAUSA-N 2 2 280.412 0.834 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000578375888 390880642 /nfs/dbraw/zinc/88/06/42/390880642.db2.gz JSDZIFKIRWTTCA-HOTGVXAUSA-N 2 2 280.412 0.834 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC(C)(C)CCC[NH3+] ZINC000578443520 390884034 /nfs/dbraw/zinc/88/40/34/390884034.db2.gz AIBSYJGEGSCVIP-UHFFFAOYSA-N 2 2 286.420 0.077 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC(C)(C)CCC[NH3+] ZINC000578443520 390884037 /nfs/dbraw/zinc/88/40/37/390884037.db2.gz AIBSYJGEGSCVIP-UHFFFAOYSA-N 2 2 286.420 0.077 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC[C@H]2CCNC2=O)C1 ZINC000578519094 390889205 /nfs/dbraw/zinc/88/92/05/390889205.db2.gz OSPSEIWTIXDJOX-VXGBXAGGSA-N 2 2 262.357 0.736 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC[C@H]2CCNC2=O)C1 ZINC000578519094 390889207 /nfs/dbraw/zinc/88/92/07/390889207.db2.gz OSPSEIWTIXDJOX-VXGBXAGGSA-N 2 2 262.357 0.736 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000578638876 390896063 /nfs/dbraw/zinc/89/60/63/390896063.db2.gz LJGJLJKTNTWBNY-GHMZBOCLSA-N 2 2 284.360 0.267 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000578638876 390896065 /nfs/dbraw/zinc/89/60/65/390896065.db2.gz LJGJLJKTNTWBNY-GHMZBOCLSA-N 2 2 284.360 0.267 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000578638876 390896067 /nfs/dbraw/zinc/89/60/67/390896067.db2.gz LJGJLJKTNTWBNY-GHMZBOCLSA-N 2 2 284.360 0.267 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000578638876 390896070 /nfs/dbraw/zinc/89/60/70/390896070.db2.gz LJGJLJKTNTWBNY-GHMZBOCLSA-N 2 2 284.360 0.267 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000578638876 390896072 /nfs/dbraw/zinc/89/60/72/390896072.db2.gz LJGJLJKTNTWBNY-GHMZBOCLSA-N 2 2 284.360 0.267 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000578638876 390896074 /nfs/dbraw/zinc/89/60/74/390896074.db2.gz LJGJLJKTNTWBNY-GHMZBOCLSA-N 2 2 284.360 0.267 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000578638876 390896076 /nfs/dbraw/zinc/89/60/76/390896076.db2.gz LJGJLJKTNTWBNY-GHMZBOCLSA-N 2 2 284.360 0.267 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000578638876 390896079 /nfs/dbraw/zinc/89/60/79/390896079.db2.gz LJGJLJKTNTWBNY-GHMZBOCLSA-N 2 2 284.360 0.267 20 0 CCADLP CO[C@@H]1CC[N@H+](CCC(=O)Nc2cccnc2)[C@@H](C[NH3+])C1 ZINC000358359812 533415139 /nfs/dbraw/zinc/41/51/39/533415139.db2.gz SBDSLFNOPDKEFA-ZIAGYGMSSA-N 2 2 292.383 0.848 20 0 CCADLP CO[C@@H]1CC[N@@H+](CCC(=O)Nc2cccnc2)[C@@H](C[NH3+])C1 ZINC000358359812 533415146 /nfs/dbraw/zinc/41/51/46/533415146.db2.gz SBDSLFNOPDKEFA-ZIAGYGMSSA-N 2 2 292.383 0.848 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)NC(=O)NC(C)(C)C ZINC000424289197 533518414 /nfs/dbraw/zinc/51/84/14/533518414.db2.gz BPOHIDYPDOBMRO-GMTAPVOTSA-N 2 2 284.404 0.859 20 0 CCADLP CSCC[C@H](CO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425352176 533644473 /nfs/dbraw/zinc/64/44/73/533644473.db2.gz MLKBEUVSKPJPFD-SNVBAGLBSA-N 2 2 272.418 0.690 20 0 CCADLP COc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c(OC)c1 ZINC000358177263 533671257 /nfs/dbraw/zinc/67/12/57/533671257.db2.gz XOGIZQLSOBWGPB-HNNXBMFYSA-N 2 2 280.368 0.860 20 0 CCADLP COc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c(OC)c1 ZINC000358177263 533671266 /nfs/dbraw/zinc/67/12/66/533671266.db2.gz XOGIZQLSOBWGPB-HNNXBMFYSA-N 2 2 280.368 0.860 20 0 CCADLP CCOC(=O)C[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000341893326 130136946 /nfs/dbraw/zinc/13/69/46/130136946.db2.gz HDXALHUDRSPLOO-ZDUSSCGKSA-N 2 2 272.389 0.982 20 0 CCADLP CCOC(=O)C[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000341893326 130136950 /nfs/dbraw/zinc/13/69/50/130136950.db2.gz HDXALHUDRSPLOO-ZDUSSCGKSA-N 2 2 272.389 0.982 20 0 CCADLP C[C@H]([NH2+]CC1([NH3+])CCC1)C(=O)NC[C@@H]1CCCO1 ZINC000342097576 130259291 /nfs/dbraw/zinc/25/92/91/130259291.db2.gz IEJMEEMOHBZRQW-QWRGUYRKSA-N 2 2 255.362 0.141 20 0 CCADLP [NH3+]C1(C[NH2+]CC(=O)NC(=O)NCc2ccccc2)CCC1 ZINC000342123547 130281430 /nfs/dbraw/zinc/28/14/30/130281430.db2.gz CLLIMEAVLLOCCV-UHFFFAOYSA-N 2 2 290.367 0.483 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH2+]CC2([NH3+])CCC2)C[C@@H](C)O1 ZINC000342129161 130287742 /nfs/dbraw/zinc/28/77/42/130287742.db2.gz BRRKUPDULFBOGB-GHMZBOCLSA-N 2 2 255.362 0.093 20 0 CCADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000342145355 130335604 /nfs/dbraw/zinc/33/56/04/130335604.db2.gz SKXZSYWFQIRMJV-VXGBXAGGSA-N 2 2 296.415 0.862 20 0 CCADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000342145349 130336166 /nfs/dbraw/zinc/33/61/66/130336166.db2.gz SKXZSYWFQIRMJV-NEPJUHHUSA-N 2 2 296.415 0.862 20 0 CCADLP COCC[NH+]1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000237114106 131005035 /nfs/dbraw/zinc/00/50/35/131005035.db2.gz WGNOXKLZOFLWOJ-UHFFFAOYSA-N 2 2 277.368 0.550 20 0 CCADLP COCC[NH2+]CCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000237287198 131020932 /nfs/dbraw/zinc/02/09/32/131020932.db2.gz YGRXDYDIKUZGGE-UHFFFAOYSA-N 2 2 276.340 0.229 20 0 CCADLP C[C@@H](CNC(=O)c1csc(C[NH3+])n1)[NH+]1CCOCC1 ZINC000237310111 131023265 /nfs/dbraw/zinc/02/32/65/131023265.db2.gz PLZUCCNJUCWHJI-VIFPVBQESA-N 2 2 284.385 0.052 20 0 CCADLP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCC[NH2+]CC1 ZINC000237874295 131062843 /nfs/dbraw/zinc/06/28/43/131062843.db2.gz JQUDBUAKEOHGIV-UHFFFAOYSA-N 2 2 271.324 0.703 20 0 CCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1C[NH2+]CCO1 ZINC000238084473 131076131 /nfs/dbraw/zinc/07/61/31/131076131.db2.gz YDUCIINERGNXNV-ZDUSSCGKSA-N 2 2 290.367 0.286 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000266213435 131702275 /nfs/dbraw/zinc/70/22/75/131702275.db2.gz NUOBNTNIJVCFDP-NSHDSACASA-N 2 2 275.356 0.851 20 0 CCADLP Cc1ccn2cc(CNC(=O)[C@@H]3COCC[NH2+]3)[nH+]c2c1 ZINC000269226780 132136800 /nfs/dbraw/zinc/13/68/00/132136800.db2.gz AMQTZRGFNJSBPD-LBPRGKRZSA-N 2 2 274.324 0.247 20 0 CCADLP O=C(NCc1cn2ccccc2[nH+]1)[C@@H]1CCC[NH2+]C1 ZINC000269230840 132136986 /nfs/dbraw/zinc/13/69/86/132136986.db2.gz IDLIPFVXBSWRON-LLVKDONJSA-N 2 2 258.325 0.950 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000269239651 132140484 /nfs/dbraw/zinc/14/04/84/132140484.db2.gz PPMYMOXTOYCYIZ-JTQLQIEISA-N 2 2 254.359 0.360 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)c2csc(C[NH3+])n2)C1 ZINC000269262005 132146125 /nfs/dbraw/zinc/14/61/25/132146125.db2.gz NERMBXCXKVYBLN-VIFPVBQESA-N 2 2 284.385 0.052 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)c2csc(C[NH3+])n2)C1 ZINC000269262005 132146127 /nfs/dbraw/zinc/14/61/27/132146127.db2.gz NERMBXCXKVYBLN-VIFPVBQESA-N 2 2 284.385 0.052 20 0 CCADLP C[C@@H](Cn1cncn1)[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000657831174 413065389 /nfs/dbraw/zinc/06/53/89/413065389.db2.gz YXLQDMHCYRFVKB-MELADBBJSA-N 2 2 281.404 0.756 20 0 CCADLP C[C@@H](Cn1cncn1)[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000657831174 413065392 /nfs/dbraw/zinc/06/53/92/413065392.db2.gz YXLQDMHCYRFVKB-MELADBBJSA-N 2 2 281.404 0.756 20 0 CCADLP O=C(C[C@@H]1C[NH2+]CCO1)N1CCN(c2cccc[nH+]2)CC1 ZINC000091299050 135067832 /nfs/dbraw/zinc/06/78/32/135067832.db2.gz QJRPJVRPEPZHHI-CYBMUJFWSA-N 2 2 290.367 0.109 20 0 CCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)CCCC[NH3+])CC1 ZINC000575119130 335068460 /nfs/dbraw/zinc/06/84/60/335068460.db2.gz DXKZSZBLSODYJF-UHFFFAOYSA-N 2 2 298.431 0.128 20 0 CCADLP C[C@@H]1[C@H](NC(=O)CCc2c[nH+]cn2C)CCC[N@H+]1C ZINC000339177897 289050735 /nfs/dbraw/zinc/05/07/35/289050735.db2.gz ZYAJXXNAWQWEGN-DGCLKSJQSA-N 2 2 264.373 0.952 20 0 CCADLP Cc1ncccc1C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000685561328 545835438 /nfs/dbraw/zinc/83/54/38/545835438.db2.gz SPWQCMNMBAGIMJ-UHFFFAOYSA-N 2 2 276.384 0.596 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[NH+](C)[C@@H](C)[C@@H]2C)CCO1 ZINC000337292260 397453955 /nfs/dbraw/zinc/45/39/55/397453955.db2.gz FPUACIGSSBRLLG-RDBSUJKOSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](C)[C@@H](C)[C@@H]2C)CCO1 ZINC000337292260 397453960 /nfs/dbraw/zinc/45/39/60/397453960.db2.gz FPUACIGSSBRLLG-RDBSUJKOSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[N@H+](C)[C@@H](C)[C@@H]2C)CCO1 ZINC000337292260 397453965 /nfs/dbraw/zinc/45/39/65/397453965.db2.gz FPUACIGSSBRLLG-RDBSUJKOSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[N@@H+](C)[C@@H](C)[C@@H]2C)CCO1 ZINC000337292260 397453970 /nfs/dbraw/zinc/45/39/70/397453970.db2.gz FPUACIGSSBRLLG-RDBSUJKOSA-N 2 2 255.406 0.732 20 0 CCADLP Cc1noc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)n1 ZINC000356955610 144045974 /nfs/dbraw/zinc/04/59/74/144045974.db2.gz GJEDICDDQYAACY-UHFFFAOYSA-N 2 2 295.387 0.268 20 0 CCADLP CN(C)C(=O)c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[nH]1 ZINC000357045678 144053596 /nfs/dbraw/zinc/05/35/96/144053596.db2.gz HZZONXLOIWTTQA-VXGBXAGGSA-N 2 2 276.384 0.758 20 0 CCADLP CN(C)C(=O)c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[nH]1 ZINC000357045678 144053598 /nfs/dbraw/zinc/05/35/98/144053598.db2.gz HZZONXLOIWTTQA-VXGBXAGGSA-N 2 2 276.384 0.758 20 0 CCADLP C[N@H+](CCOCC[NH3+])C1CC[NH+](CCn2cccn2)CC1 ZINC000357085320 144058543 /nfs/dbraw/zinc/05/85/43/144058543.db2.gz RZZBUJGFYMMAHM-UHFFFAOYSA-N 3 2 295.431 0.255 20 0 CCADLP C[N@@H+](CCOCC[NH3+])C1CC[NH+](CCn2cccn2)CC1 ZINC000357085320 144058544 /nfs/dbraw/zinc/05/85/44/144058544.db2.gz RZZBUJGFYMMAHM-UHFFFAOYSA-N 3 2 295.431 0.255 20 0 CCADLP C[NH2+][C@@H](C(=O)NC[C@@H](C)Cn1cc[nH+]c1)c1cnn(C)c1 ZINC000357199564 144068894 /nfs/dbraw/zinc/06/88/94/144068894.db2.gz KUVCZWBOLASBFJ-DGCLKSJQSA-N 2 2 290.371 0.330 20 0 CCADLP C[C@@H](C(=O)NC1CCCC1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357649373 144109302 /nfs/dbraw/zinc/10/93/02/144109302.db2.gz PSZURBBVOZAUFU-ZDUSSCGKSA-N 2 2 297.443 0.822 20 0 CCADLP C[C@@H](C(=O)N1CCC(C[NH+](C)C)CC1)[NH+]1CCN(C)CC1 ZINC000358013904 144142489 /nfs/dbraw/zinc/14/24/89/144142489.db2.gz LUZDLLLBSSUJSW-AWEZNQCLSA-N 2 2 296.459 0.423 20 0 CCADLP C[N@@H+]1CC[C@](O)(CNC(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000358049402 144144940 /nfs/dbraw/zinc/14/49/40/144144940.db2.gz OFHVQXJEJNFQEO-HNNXBMFYSA-N 2 2 288.351 0.060 20 0 CCADLP C[N@H+]1CC[C@](O)(CNC(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000358049402 144144942 /nfs/dbraw/zinc/14/49/42/144144942.db2.gz OFHVQXJEJNFQEO-HNNXBMFYSA-N 2 2 288.351 0.060 20 0 CCADLP Cn1c[nH+]cc1CNc1ncnc2c1C[N@H+](C)CC2 ZINC000368174204 144210369 /nfs/dbraw/zinc/21/03/69/144210369.db2.gz DQHRHNANXLJQPG-UHFFFAOYSA-N 2 2 258.329 0.232 20 0 CCADLP Cn1c[nH+]cc1CNc1ncnc2c1C[N@@H+](C)CC2 ZINC000368174204 144210371 /nfs/dbraw/zinc/21/03/71/144210371.db2.gz DQHRHNANXLJQPG-UHFFFAOYSA-N 2 2 258.329 0.232 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCOC3)C2)CC1 ZINC000369269108 144261151 /nfs/dbraw/zinc/26/11/51/144261151.db2.gz VQUGMSVEJPSULI-KGLIPLIRSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CCCOC3)C2)CC1 ZINC000369269108 144261153 /nfs/dbraw/zinc/26/11/53/144261153.db2.gz VQUGMSVEJPSULI-KGLIPLIRSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H](O)CCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369373232 144266010 /nfs/dbraw/zinc/26/60/10/144266010.db2.gz OEIAZGQAIDUTLK-QWHCGFSZSA-N 2 2 298.431 0.225 20 0 CCADLP C[C@H](O)CCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369373232 144266011 /nfs/dbraw/zinc/26/60/11/144266011.db2.gz OEIAZGQAIDUTLK-QWHCGFSZSA-N 2 2 298.431 0.225 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C(C)C)CC2)C1 ZINC000369679863 144276599 /nfs/dbraw/zinc/27/65/99/144276599.db2.gz LEBPDYCVOYXNOP-ZDUSSCGKSA-N 2 2 269.389 0.260 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C(C)C)CC2)C1 ZINC000369679863 144276600 /nfs/dbraw/zinc/27/66/00/144276600.db2.gz LEBPDYCVOYXNOP-ZDUSSCGKSA-N 2 2 269.389 0.260 20 0 CCADLP Cn1ncc2c1nc[nH+]c2N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000383400059 397493016 /nfs/dbraw/zinc/49/30/16/397493016.db2.gz XSIYBUAPECAWMK-PHIMTYICSA-N 2 2 272.356 0.799 20 0 CCADLP O=C([C@H]1C[C@@]12CC[NH2+]C2)N1CCN(c2cccc[nH+]2)CC1 ZINC000369804461 144280092 /nfs/dbraw/zinc/28/00/92/144280092.db2.gz GTBYLDLCBBJIOY-CZUORRHYSA-N 2 2 286.379 0.730 20 0 CCADLP CCC[C@@H](C[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1)OC ZINC000381249748 397485948 /nfs/dbraw/zinc/48/59/48/397485948.db2.gz UKHNENBPMFCDSI-AWEZNQCLSA-N 2 2 285.432 0.944 20 0 CCADLP Cc1cc(CN2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)no1 ZINC000649411029 397606130 /nfs/dbraw/zinc/60/61/30/397606130.db2.gz FDCJVLSLNZFACL-ZDUSSCGKSA-N 2 2 264.373 0.710 20 0 CCADLP C([C@H]1CC[NH2+]C1)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000649413967 397608067 /nfs/dbraw/zinc/60/80/67/397608067.db2.gz ZNIMBLXYNXPZSO-UONOGXRCSA-N 3 2 253.390 0.250 20 0 CCADLP C([C@H]1CC[NH2+]C1)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000649413967 397608068 /nfs/dbraw/zinc/60/80/68/397608068.db2.gz ZNIMBLXYNXPZSO-UONOGXRCSA-N 3 2 253.390 0.250 20 0 CCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000649414255 397608465 /nfs/dbraw/zinc/60/84/65/397608465.db2.gz OOGVVAFRJWZCRG-LSDHHAIUSA-N 2 2 294.443 0.224 20 0 CCADLP C[C@@H](C(=O)N1CCCC1)N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000649414255 397608467 /nfs/dbraw/zinc/60/84/67/397608467.db2.gz OOGVVAFRJWZCRG-LSDHHAIUSA-N 2 2 294.443 0.224 20 0 CCADLP CCN(CC)C(=O)C[NH+]1CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000649479252 397618564 /nfs/dbraw/zinc/61/85/64/397618564.db2.gz MDVPBCISZNAKKO-OAHLLOKOSA-N 2 2 296.459 0.567 20 0 CCADLP CCN(CC)C(=O)C[NH+]1CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000649479252 397618568 /nfs/dbraw/zinc/61/85/68/397618568.db2.gz MDVPBCISZNAKKO-OAHLLOKOSA-N 2 2 296.459 0.567 20 0 CCADLP O=C1CC[C@@H](C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)N1 ZINC000649595004 397643312 /nfs/dbraw/zinc/64/33/12/397643312.db2.gz XHUHBETXLPRZPE-WCQYABFASA-N 2 2 261.325 0.813 20 0 CCADLP O=C1CC[C@@H](C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)N1 ZINC000649595004 397643316 /nfs/dbraw/zinc/64/33/16/397643316.db2.gz XHUHBETXLPRZPE-WCQYABFASA-N 2 2 261.325 0.813 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000548585919 286050537 /nfs/dbraw/zinc/05/05/37/286050537.db2.gz VXKCTCBNJNHTQG-NEPJUHHUSA-N 2 2 264.373 0.952 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548609230 286051575 /nfs/dbraw/zinc/05/15/75/286051575.db2.gz WMDMGTTZLVIQMV-NEPJUHHUSA-N 2 2 288.355 0.782 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158821142 286094774 /nfs/dbraw/zinc/09/47/74/286094774.db2.gz RJQJHAFZWOTGDM-KGLIPLIRSA-N 2 2 283.416 0.555 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158821142 286094775 /nfs/dbraw/zinc/09/47/75/286094775.db2.gz RJQJHAFZWOTGDM-KGLIPLIRSA-N 2 2 283.416 0.555 20 0 CCADLP CCOCCNC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158821142 286094776 /nfs/dbraw/zinc/09/47/76/286094776.db2.gz RJQJHAFZWOTGDM-KGLIPLIRSA-N 2 2 283.416 0.555 20 0 CCADLP CCOCCNC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158821142 286094778 /nfs/dbraw/zinc/09/47/78/286094778.db2.gz RJQJHAFZWOTGDM-KGLIPLIRSA-N 2 2 283.416 0.555 20 0 CCADLP CC[N@@H+]1CC[C@H]2OCCN(CC[NH+]3CCO[C@@H](C)C3)[C@H]2C1 ZINC000549832391 286101092 /nfs/dbraw/zinc/10/10/92/286101092.db2.gz ASASBGYPJRHLKC-HRCADAONSA-N 2 2 297.443 0.502 20 0 CCADLP CC[N@H+]1CC[C@H]2OCCN(CC[NH+]3CCO[C@@H](C)C3)[C@H]2C1 ZINC000549832391 286101093 /nfs/dbraw/zinc/10/10/93/286101093.db2.gz ASASBGYPJRHLKC-HRCADAONSA-N 2 2 297.443 0.502 20 0 CCADLP CC[NH+]1CC[C@H]2OCCN(CC[N@@H+]3CCO[C@@H](C)C3)[C@H]2C1 ZINC000549832391 286101094 /nfs/dbraw/zinc/10/10/94/286101094.db2.gz ASASBGYPJRHLKC-HRCADAONSA-N 2 2 297.443 0.502 20 0 CCADLP CC[NH+]1CC[C@H]2OCCN(CC[N@H+]3CCO[C@@H](C)C3)[C@H]2C1 ZINC000549832391 286101095 /nfs/dbraw/zinc/10/10/95/286101095.db2.gz ASASBGYPJRHLKC-HRCADAONSA-N 2 2 297.443 0.502 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H](C)[NH+]2CC(C)C2)C[C@@H]1C ZINC000553158439 286182718 /nfs/dbraw/zinc/18/27/18/286182718.db2.gz YCOYUGSPXRGLSL-IHRRRGAJSA-N 2 2 283.416 0.240 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H](C)[NH+]2CC(C)C2)C[C@@H]1C ZINC000553158439 286182719 /nfs/dbraw/zinc/18/27/19/286182719.db2.gz YCOYUGSPXRGLSL-IHRRRGAJSA-N 2 2 283.416 0.240 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434390755 296646433 /nfs/dbraw/zinc/64/64/33/296646433.db2.gz YOMWDVDEWSBERK-ZIAGYGMSSA-N 2 2 295.427 0.840 20 0 CCADLP CCO[C@@H]1C[C@@H]([NH2+]CC[N@H+](CC)CCO)[C@@H]1SC ZINC000459541415 286281694 /nfs/dbraw/zinc/28/16/94/286281694.db2.gz WIELMOAPYGLZPE-UPJWGTAASA-N 2 2 276.446 0.799 20 0 CCADLP CCO[C@@H]1C[C@@H]([NH2+]CC[N@@H+](CC)CCO)[C@@H]1SC ZINC000459541415 286281695 /nfs/dbraw/zinc/28/16/95/286281695.db2.gz WIELMOAPYGLZPE-UPJWGTAASA-N 2 2 276.446 0.799 20 0 CCADLP Cc1ccc([C@H](CNC(=O)[C@H](C)[NH3+])[NH+]2CCOCC2)cc1 ZINC000165674176 292253805 /nfs/dbraw/zinc/25/38/05/292253805.db2.gz AANLOBVFAONBIQ-ZFWWWQNUSA-N 2 2 291.395 0.832 20 0 CCADLP CCn1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000659033000 413261490 /nfs/dbraw/zinc/26/14/90/413261490.db2.gz PGBFJKHEUZVKIJ-SNVBAGLBSA-N 2 2 266.349 0.010 20 0 CCADLP CCn1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])n1 ZINC000659033000 413261499 /nfs/dbraw/zinc/26/14/99/413261499.db2.gz PGBFJKHEUZVKIJ-SNVBAGLBSA-N 2 2 266.349 0.010 20 0 CCADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000133725753 286305464 /nfs/dbraw/zinc/30/54/64/286305464.db2.gz LURUBAIYJZYLEZ-BXUZGUMPSA-N 2 2 269.389 0.293 20 0 CCADLP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422745492 287035670 /nfs/dbraw/zinc/03/56/70/287035670.db2.gz VGUHAHIJLIHSDL-ZNMIVQPWSA-N 3 2 268.449 0.743 20 0 CCADLP CCc1nc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])cs1 ZINC000122704756 411708569 /nfs/dbraw/zinc/70/85/69/411708569.db2.gz VCSGVGINDNLREW-NSHDSACASA-N 2 2 254.403 0.780 20 0 CCADLP CCc1nc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cs1 ZINC000122704756 411708571 /nfs/dbraw/zinc/70/85/71/411708571.db2.gz VCSGVGINDNLREW-NSHDSACASA-N 2 2 254.403 0.780 20 0 CCADLP CCO[C@@H]1C[N@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1C[NH3+] ZINC000405195418 411798262 /nfs/dbraw/zinc/79/82/62/411798262.db2.gz BFQASQLGZVWJQQ-ZIAGYGMSSA-N 2 2 285.432 0.927 20 0 CCADLP CCO[C@@H]1C[N@@H+](CC(=O)N(C(C)C)C(C)C)C[C@H]1C[NH3+] ZINC000405195418 411798267 /nfs/dbraw/zinc/79/82/67/411798267.db2.gz BFQASQLGZVWJQQ-ZIAGYGMSSA-N 2 2 285.432 0.927 20 0 CCADLP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@@H](C)CC)C[C@H]1C[NH3+] ZINC000405539288 411804269 /nfs/dbraw/zinc/80/42/69/411804269.db2.gz QOZHERKVOJWZSN-UMSGYPCISA-N 2 2 271.405 0.585 20 0 CCADLP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@@H](C)CC)C[C@H]1C[NH3+] ZINC000405539288 411804273 /nfs/dbraw/zinc/80/42/73/411804273.db2.gz QOZHERKVOJWZSN-UMSGYPCISA-N 2 2 271.405 0.585 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407302709 411806182 /nfs/dbraw/zinc/80/61/82/411806182.db2.gz CSIWOHIUCZQHHM-VXGBXAGGSA-N 2 2 262.357 0.909 20 0 CCADLP CC(C)C[N@H+](C)CCCNc1[nH+]cnc2c1OCCN2 ZINC000651363495 411854322 /nfs/dbraw/zinc/85/43/22/411854322.db2.gz YPLSEPJNWUCKIA-UHFFFAOYSA-N 2 2 279.388 0.783 20 0 CCADLP CC(C)C[N@@H+](C)CCCNc1[nH+]cnc2c1OCCN2 ZINC000651363495 411854326 /nfs/dbraw/zinc/85/43/26/411854326.db2.gz YPLSEPJNWUCKIA-UHFFFAOYSA-N 2 2 279.388 0.783 20 0 CCADLP CC(C)C[N@H+](C)CCCNc1nc[nH+]c2c1OCCN2 ZINC000651363495 411854330 /nfs/dbraw/zinc/85/43/30/411854330.db2.gz YPLSEPJNWUCKIA-UHFFFAOYSA-N 2 2 279.388 0.783 20 0 CCADLP CC(C)C[N@@H+](C)CCCNc1nc[nH+]c2c1OCCN2 ZINC000651363495 411854333 /nfs/dbraw/zinc/85/43/33/411854333.db2.gz YPLSEPJNWUCKIA-UHFFFAOYSA-N 2 2 279.388 0.783 20 0 CCADLP CC[N@H+](CCO)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000651754859 411928517 /nfs/dbraw/zinc/92/85/17/411928517.db2.gz QUFBKMFFWGXYPX-LBPRGKRZSA-N 2 2 268.361 0.265 20 0 CCADLP CC[N@@H+](CCO)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000651754859 411928519 /nfs/dbraw/zinc/92/85/19/411928519.db2.gz QUFBKMFFWGXYPX-LBPRGKRZSA-N 2 2 268.361 0.265 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652145986 411993276 /nfs/dbraw/zinc/99/32/76/411993276.db2.gz DKQORSLIQZSHNE-LBPRGKRZSA-N 2 2 284.404 0.135 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652145986 411993279 /nfs/dbraw/zinc/99/32/79/411993279.db2.gz DKQORSLIQZSHNE-LBPRGKRZSA-N 2 2 284.404 0.135 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652199452 412001927 /nfs/dbraw/zinc/00/19/27/412001927.db2.gz RSGHBTJCWBXYJR-WFASDCNBSA-N 2 2 291.399 0.733 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCOc2ccccc2C1 ZINC000652337241 412030169 /nfs/dbraw/zinc/03/01/69/412030169.db2.gz XYQGOGMBHNCPRL-AWEZNQCLSA-N 2 2 250.342 0.851 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCOc2ccccc2C1 ZINC000652337241 412030172 /nfs/dbraw/zinc/03/01/72/412030172.db2.gz XYQGOGMBHNCPRL-AWEZNQCLSA-N 2 2 250.342 0.851 20 0 CCADLP C[C@H]1CCC[N@H+](Cc2nnc3n2CCOC3)[C@H]1CC[NH3+] ZINC000652356215 412037125 /nfs/dbraw/zinc/03/71/25/412037125.db2.gz WQWUMEPZAHHDBQ-RYUDHWBXSA-N 2 2 279.388 0.758 20 0 CCADLP C[C@H]1CCC[N@@H+](Cc2nnc3n2CCOC3)[C@H]1CC[NH3+] ZINC000652356215 412037129 /nfs/dbraw/zinc/03/71/29/412037129.db2.gz WQWUMEPZAHHDBQ-RYUDHWBXSA-N 2 2 279.388 0.758 20 0 CCADLP C[C@@H](CC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)n1cc[nH+]c1 ZINC000652390525 412046263 /nfs/dbraw/zinc/04/62/63/412046263.db2.gz SZCNZKGJWQYVBB-UONOGXRCSA-N 2 2 294.399 0.797 20 0 CCADLP C[NH+](C)CC(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652883748 412142260 /nfs/dbraw/zinc/14/22/60/412142260.db2.gz VLIJKWJHZGZNSM-HNNXBMFYSA-N 2 2 275.396 0.933 20 0 CCADLP C[NH+](C)CC(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000652883748 412142261 /nfs/dbraw/zinc/14/22/61/412142261.db2.gz VLIJKWJHZGZNSM-HNNXBMFYSA-N 2 2 275.396 0.933 20 0 CCADLP COc1cc(CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)ccc1C ZINC000653091535 412214638 /nfs/dbraw/zinc/21/46/38/412214638.db2.gz YFUNFCKNQWTKKC-AWEZNQCLSA-N 2 2 293.411 0.941 20 0 CCADLP CN(C(=O)Cc1cn2c([nH+]1)CCCC2)[C@H]1CC[NH2+]C1 ZINC000653049884 412200985 /nfs/dbraw/zinc/20/09/85/412200985.db2.gz NPVDCCVOVRTUSU-LBPRGKRZSA-N 2 2 262.357 0.582 20 0 CCADLP C[C@H](C[NH3+])N(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653051337 412202876 /nfs/dbraw/zinc/20/28/76/412202876.db2.gz VRJDRJFSLSADQM-SNVBAGLBSA-N 2 2 250.346 0.568 20 0 CCADLP COc1cccc(NCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000653055126 412203959 /nfs/dbraw/zinc/20/39/59/412203959.db2.gz PBLBFSQPGZNBCX-CYBMUJFWSA-N 2 2 292.383 0.208 20 0 CCADLP COc1cccc(NCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000653055126 412203964 /nfs/dbraw/zinc/20/39/64/412203964.db2.gz PBLBFSQPGZNBCX-CYBMUJFWSA-N 2 2 292.383 0.208 20 0 CCADLP C[C@H]([NH3+])[C@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)CCO1 ZINC000653055639 412204472 /nfs/dbraw/zinc/20/44/72/412204472.db2.gz JFXPHLBBAULRQA-SDDRHHMPSA-N 2 2 266.345 0.409 20 0 CCADLP COc1cccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000653057791 412205088 /nfs/dbraw/zinc/20/50/88/412205088.db2.gz QSDUPLZTKJRSFC-CYBMUJFWSA-N 2 2 265.357 0.590 20 0 CCADLP CN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653060885 412205529 /nfs/dbraw/zinc/20/55/29/412205529.db2.gz WKQPQBVYZMQJPM-LBPRGKRZSA-N 2 2 293.367 0.653 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1ccc(F)cc1 ZINC000653057849 412205671 /nfs/dbraw/zinc/20/56/71/412205671.db2.gz SJEDMQCERXJADN-GFCCVEGCSA-N 2 2 253.321 0.721 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCCOc1ccccc1 ZINC000653062036 412205756 /nfs/dbraw/zinc/20/57/56/412205756.db2.gz KDDQOHDKLDTMHD-AWEZNQCLSA-N 2 2 279.384 0.851 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCc2sccc2C1 ZINC000653063773 412207022 /nfs/dbraw/zinc/20/70/22/412207022.db2.gz WKJVSQWAIHMNJH-LLVKDONJSA-N 2 2 267.398 0.912 20 0 CCADLP COCc1cccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000653068992 412207105 /nfs/dbraw/zinc/20/71/05/412207105.db2.gz ZMDJCSPUCORWIL-CQSZACIVSA-N 2 2 279.384 0.728 20 0 CCADLP CCCNC(=O)[C@H]1CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653082807 412213221 /nfs/dbraw/zinc/21/32/21/412213221.db2.gz FHFNELSQECRCBS-QWHCGFSZSA-N 2 2 298.431 0.030 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)CCc2[nH]cc[nH+]2)C(C)(C)C1 ZINC000652927011 412166244 /nfs/dbraw/zinc/16/62/44/412166244.db2.gz VLKZNYFDHPHAQY-UHFFFAOYSA-N 2 2 294.399 0.912 20 0 CCADLP COCC[N@H+]1CCN(C(=O)CCc2[nH]cc[nH+]2)C(C)(C)C1 ZINC000652927011 412166247 /nfs/dbraw/zinc/16/62/47/412166247.db2.gz VLKZNYFDHPHAQY-UHFFFAOYSA-N 2 2 294.399 0.912 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)C[NH+](C)C)C(C)(C)C1 ZINC000652926215 412166581 /nfs/dbraw/zinc/16/65/81/412166581.db2.gz PSJHTGAXMUMHBB-UHFFFAOYSA-N 2 2 257.378 0.117 20 0 CCADLP COCC[N@H+]1CCN(C(=O)C[NH+](C)C)C(C)(C)C1 ZINC000652926215 412166583 /nfs/dbraw/zinc/16/65/83/412166583.db2.gz PSJHTGAXMUMHBB-UHFFFAOYSA-N 2 2 257.378 0.117 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000653298952 412285533 /nfs/dbraw/zinc/28/55/33/412285533.db2.gz UICWXPHTGCEBCF-UONOGXRCSA-N 2 2 285.432 0.977 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000653298952 412285535 /nfs/dbraw/zinc/28/55/35/412285535.db2.gz UICWXPHTGCEBCF-UONOGXRCSA-N 2 2 285.432 0.977 20 0 CCADLP CCO[C@@H]1C[C@@H](N(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1(C)C ZINC000653094379 412215931 /nfs/dbraw/zinc/21/59/31/412215931.db2.gz CWQOYLGSNUDGAC-YNEHKIRRSA-N 2 2 285.432 0.927 20 0 CCADLP COc1cc(C)ccc1CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653098793 412216726 /nfs/dbraw/zinc/21/67/26/412216726.db2.gz YFVKPSPXOYCSOQ-CYBMUJFWSA-N 2 2 279.384 0.899 20 0 CCADLP CC[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CCOCC1 ZINC000653099444 412218271 /nfs/dbraw/zinc/21/82/71/412218271.db2.gz QVQGWRVZHPXRPR-QWHCGFSZSA-N 2 2 271.405 0.587 20 0 CCADLP C[C@@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)N(C)c1ccccc1 ZINC000653109456 412222495 /nfs/dbraw/zinc/22/24/95/412222495.db2.gz BUTRKWRZIYFFAT-DZGCQCFKSA-N 2 2 292.427 0.907 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000653111993 412223310 /nfs/dbraw/zinc/22/33/10/412223310.db2.gz IKPHZGOYNAAPOC-CQSZACIVSA-N 3 2 298.475 0.846 20 0 CCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653111077 412223591 /nfs/dbraw/zinc/22/35/91/412223591.db2.gz CLMDHLQBLDFKIG-DGCLKSJQSA-N 3 2 281.404 0.223 20 0 CCADLP Cn1cnc2cc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)ccc21 ZINC000653121493 412229933 /nfs/dbraw/zinc/22/99/33/412229933.db2.gz WZHIQYHLHSQUOZ-LLVKDONJSA-N 2 2 275.356 0.791 20 0 CCADLP [NH3+]CC[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)C(F)F ZINC000653144869 412240755 /nfs/dbraw/zinc/24/07/55/412240755.db2.gz JWWUDVVZIDHJOB-SNVBAGLBSA-N 2 2 286.326 0.861 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCc2ccc(F)cc2C1 ZINC000653150032 412241968 /nfs/dbraw/zinc/24/19/68/412241968.db2.gz PNMXDAOSNVOSKJ-AWEZNQCLSA-N 2 2 279.359 0.989 20 0 CCADLP COCCC(C)(C)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653152983 412245420 /nfs/dbraw/zinc/24/54/20/412245420.db2.gz DRADNQSPAQULAI-NSHDSACASA-N 2 2 259.394 0.444 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000653163417 412248191 /nfs/dbraw/zinc/24/81/91/412248191.db2.gz XQTBYYQRMKZZMC-HUUCEWRRSA-N 3 2 290.411 0.439 20 0 CCADLP CC[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@@H]1CCCO1 ZINC000653173137 412251909 /nfs/dbraw/zinc/25/19/09/412251909.db2.gz DWLGPCJHGJTQAT-SRVKXCTJSA-N 2 2 257.378 0.339 20 0 CCADLP CC[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)[C@@H]1CCCO1 ZINC000653173138 412252324 /nfs/dbraw/zinc/25/23/24/412252324.db2.gz DWLGPCJHGJTQAT-WOPDTQHZSA-N 2 2 257.378 0.339 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1COC ZINC000653564729 412319480 /nfs/dbraw/zinc/31/94/80/412319480.db2.gz JVQFLHWBKLMVTO-OLZOCXBDSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1COC ZINC000653564729 412319484 /nfs/dbraw/zinc/31/94/84/412319484.db2.gz JVQFLHWBKLMVTO-OLZOCXBDSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1COC ZINC000653564729 412319485 /nfs/dbraw/zinc/31/94/85/412319485.db2.gz JVQFLHWBKLMVTO-OLZOCXBDSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1COC ZINC000653564729 412319486 /nfs/dbraw/zinc/31/94/86/412319486.db2.gz JVQFLHWBKLMVTO-OLZOCXBDSA-N 2 2 260.378 0.036 20 0 CCADLP COCCOC[C@@H](O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000653590577 412322465 /nfs/dbraw/zinc/32/24/65/412322465.db2.gz MLEZYJUGGNGQCM-STQMWFEESA-N 2 2 283.372 0.233 20 0 CCADLP COCCOC[C@@H](O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000653590577 412322466 /nfs/dbraw/zinc/32/24/66/412322466.db2.gz MLEZYJUGGNGQCM-STQMWFEESA-N 2 2 283.372 0.233 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@](C)(CO)c1cccc(O)c1 ZINC000653677610 412334578 /nfs/dbraw/zinc/33/45/78/412334578.db2.gz ZFXQHSHSKIRMPK-CABCVRRESA-N 2 2 282.384 0.502 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@](C)(CO)c1cccc(O)c1 ZINC000653677610 412334581 /nfs/dbraw/zinc/33/45/81/412334581.db2.gz ZFXQHSHSKIRMPK-CABCVRRESA-N 2 2 282.384 0.502 20 0 CCADLP C[C@@H](CO)C[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000653689606 412335978 /nfs/dbraw/zinc/33/59/78/412335978.db2.gz COKYKUZIICVUDD-CHWSQXEVSA-N 2 2 256.390 0.800 20 0 CCADLP C[C@@H](CO)C[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000653689606 412335981 /nfs/dbraw/zinc/33/59/81/412335981.db2.gz COKYKUZIICVUDD-CHWSQXEVSA-N 2 2 256.390 0.800 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000653699327 412337185 /nfs/dbraw/zinc/33/71/85/412337185.db2.gz JOTBJSRCLSWGSA-GFCCVEGCSA-N 2 2 250.346 0.515 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000653699327 412337186 /nfs/dbraw/zinc/33/71/86/412337186.db2.gz JOTBJSRCLSWGSA-GFCCVEGCSA-N 2 2 250.346 0.515 20 0 CCADLP CC(C)[NH+](CCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(C)C ZINC000653346742 412292178 /nfs/dbraw/zinc/29/21/78/412292178.db2.gz FYYOHXPIBHEVEW-AWEZNQCLSA-N 3 2 286.464 0.891 20 0 CCADLP C[N@@H+]1CCC[C@H](NC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000655132342 412487299 /nfs/dbraw/zinc/48/72/99/412487299.db2.gz JNPQFBKAHNORFF-MELADBBJSA-N 2 2 296.415 0.243 20 0 CCADLP C[N@H+]1CCC[C@H](NC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000655132342 412487303 /nfs/dbraw/zinc/48/73/03/412487303.db2.gz JNPQFBKAHNORFF-MELADBBJSA-N 2 2 296.415 0.243 20 0 CCADLP C[NH+]1CCC[C@H](NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000655132342 412487306 /nfs/dbraw/zinc/48/73/06/412487306.db2.gz JNPQFBKAHNORFF-MELADBBJSA-N 2 2 296.415 0.243 20 0 CCADLP C[NH+]1CCC[C@H](NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000655132342 412487312 /nfs/dbraw/zinc/48/73/12/412487312.db2.gz JNPQFBKAHNORFF-MELADBBJSA-N 2 2 296.415 0.243 20 0 CCADLP C[C@@H](C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)[NH+]1CCOCC1 ZINC000654927629 412450635 /nfs/dbraw/zinc/45/06/35/412450635.db2.gz VITBKYHRZGQVFG-ZNMIVQPWSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H](C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)[NH+]1CCOCC1 ZINC000654927629 412450637 /nfs/dbraw/zinc/45/06/37/412450637.db2.gz VITBKYHRZGQVFG-ZNMIVQPWSA-N 2 2 295.427 0.650 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659455794 413513489 /nfs/dbraw/zinc/51/34/89/413513489.db2.gz DBKFJGKZXCIWCG-CHWSQXEVSA-N 3 2 297.447 0.062 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659455794 413513496 /nfs/dbraw/zinc/51/34/96/413513496.db2.gz DBKFJGKZXCIWCG-CHWSQXEVSA-N 3 2 297.447 0.062 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000659471601 413528294 /nfs/dbraw/zinc/52/82/94/413528294.db2.gz BGMPIQVEKDTBQN-NWDGAFQWSA-N 2 2 277.372 0.567 20 0 CCADLP CN(CC(C)(C)[NH3+])C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000659484639 413540339 /nfs/dbraw/zinc/54/03/39/413540339.db2.gz XTHITKSCCIUDCA-SNVBAGLBSA-N 2 2 265.361 0.577 20 0 CCADLP [NH3+][C@@H]1CN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC[C@H]1F ZINC000659484220 413540553 /nfs/dbraw/zinc/54/05/53/413540553.db2.gz QCFIZNWVWLUGRF-HBNTYKKESA-N 2 2 281.335 0.279 20 0 CCADLP C[C@H](NC(=O)NC[C@@H]1CCC[NH2+]C1)c1[nH+]ccn1C ZINC000659509006 413570195 /nfs/dbraw/zinc/57/01/95/413570195.db2.gz CVULZXVKALZTAH-WDEREUQCSA-N 2 2 265.361 0.780 20 0 CCADLP CCC[NH2+]CCNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000659527572 413604510 /nfs/dbraw/zinc/60/45/10/413604510.db2.gz WYYLUVHFMMRCDH-JTQLQIEISA-N 2 2 253.350 0.780 20 0 CCADLP C[C@H](NC(=O)N[C@@H]1CC[C@H](C[NH3+])C1)c1[nH+]ccn1C ZINC000659553164 413643823 /nfs/dbraw/zinc/64/38/23/413643823.db2.gz HKMXPVFCAPCPJU-GARJFASQSA-N 2 2 265.361 0.908 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000659534864 413617179 /nfs/dbraw/zinc/61/71/79/413617179.db2.gz BMIVJZOBPQMJNS-ZJUUUORDSA-N 2 2 251.334 0.821 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000659534864 413617186 /nfs/dbraw/zinc/61/71/86/413617186.db2.gz BMIVJZOBPQMJNS-ZJUUUORDSA-N 2 2 251.334 0.821 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)[C@@H](C[NH3+])C1 ZINC000659597743 413679189 /nfs/dbraw/zinc/67/91/89/413679189.db2.gz RMLOCKNVBDYJDW-RFGFWPKPSA-N 2 2 280.416 0.707 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)[C@@H](C[NH3+])C1 ZINC000659597743 413679197 /nfs/dbraw/zinc/67/91/97/413679197.db2.gz RMLOCKNVBDYJDW-RFGFWPKPSA-N 2 2 280.416 0.707 20 0 CCADLP C[C@H](NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1[nH+]ccn1C ZINC000659626931 413723609 /nfs/dbraw/zinc/72/36/09/413723609.db2.gz FDMXVKHHOVBUMI-SMDDNHRTSA-N 2 2 277.372 0.876 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000659635230 413736532 /nfs/dbraw/zinc/73/65/32/413736532.db2.gz BRFICDNRYZGPGP-MNOVXSKESA-N 2 2 265.361 0.907 20 0 CCADLP C[C@H](O)C[NH+]1CCN(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000659873888 413931193 /nfs/dbraw/zinc/93/11/93/413931193.db2.gz AVKDGRYEKYGUFD-RRFJBIMHSA-N 2 2 285.432 0.094 20 0 CCADLP CS(=O)(=O)NCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000037241507 173058109 /nfs/dbraw/zinc/05/81/09/173058109.db2.gz RUMKNDCKNHHURX-UHFFFAOYSA-N 2 2 294.380 0.511 20 0 CCADLP CCN1CC[C@H]([NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC000660074149 414087414 /nfs/dbraw/zinc/08/74/14/414087414.db2.gz KTAVXZBHOVBMLM-CABCVRRESA-N 2 2 294.443 0.319 20 0 CCADLP CCN1CC[C@H]([NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC000660074149 414087422 /nfs/dbraw/zinc/08/74/22/414087422.db2.gz KTAVXZBHOVBMLM-CABCVRRESA-N 2 2 294.443 0.319 20 0 CCADLP COC[C@@H](C[NH+]1CCN(c2[nH+]ccn2C)CC1)OC ZINC000660111961 414119464 /nfs/dbraw/zinc/11/94/64/414119464.db2.gz JOGKAUQSHDLQEX-GFCCVEGCSA-N 2 2 268.361 0.204 20 0 CCADLP OCCCC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660473606 414343083 /nfs/dbraw/zinc/34/30/83/414343083.db2.gz RDDKDHJKYGWCFT-CQSZACIVSA-N 2 2 256.390 0.946 20 0 CCADLP OCCCC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660473606 414343087 /nfs/dbraw/zinc/34/30/87/414343087.db2.gz RDDKDHJKYGWCFT-CQSZACIVSA-N 2 2 256.390 0.946 20 0 CCADLP CN1CCC[C@@H]([N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1=O ZINC000660477496 414351050 /nfs/dbraw/zinc/35/10/50/414351050.db2.gz HORLDXJKWQYKBY-HUUCEWRRSA-N 2 2 295.427 0.794 20 0 CCADLP CN1CCC[C@@H]([N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1=O ZINC000660477496 414351057 /nfs/dbraw/zinc/35/10/57/414351057.db2.gz HORLDXJKWQYKBY-HUUCEWRRSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC(c2nc(N)n[nH]2)CC1)C1CC1 ZINC000660564690 414391604 /nfs/dbraw/zinc/39/16/04/414391604.db2.gz GXRIJBCGNIPHHH-LBPRGKRZSA-N 2 2 294.403 0.021 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(c2nc(N)n[nH]2)CC1)C1CC1 ZINC000660564690 414391608 /nfs/dbraw/zinc/39/16/08/414391608.db2.gz GXRIJBCGNIPHHH-LBPRGKRZSA-N 2 2 294.403 0.021 20 0 CCADLP CN1CC[C@H]([N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000660658616 414431754 /nfs/dbraw/zinc/43/17/54/414431754.db2.gz HXVDFUYWZHYETA-GXTWGEPZSA-N 2 2 251.374 0.635 20 0 CCADLP CN1CC[C@H]([N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000660658616 414431759 /nfs/dbraw/zinc/43/17/59/414431759.db2.gz HXVDFUYWZHYETA-GXTWGEPZSA-N 2 2 251.374 0.635 20 0 CCADLP CN1CC[C@H]([NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)C1=O ZINC000660658616 414431763 /nfs/dbraw/zinc/43/17/63/414431763.db2.gz HXVDFUYWZHYETA-GXTWGEPZSA-N 2 2 251.374 0.635 20 0 CCADLP CN1CC[C@H]([NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000660658616 414431768 /nfs/dbraw/zinc/43/17/68/414431768.db2.gz HXVDFUYWZHYETA-GXTWGEPZSA-N 2 2 251.374 0.635 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660655917 414433962 /nfs/dbraw/zinc/43/39/62/414433962.db2.gz QRADWMODMXNYNJ-GOEBONIOSA-N 2 2 297.443 0.945 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660655917 414433965 /nfs/dbraw/zinc/43/39/65/414433965.db2.gz QRADWMODMXNYNJ-GOEBONIOSA-N 2 2 297.443 0.945 20 0 CCADLP COCCCNC(=O)[C@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660655917 414433968 /nfs/dbraw/zinc/43/39/68/414433968.db2.gz QRADWMODMXNYNJ-GOEBONIOSA-N 2 2 297.443 0.945 20 0 CCADLP COCCCNC(=O)[C@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660655917 414433970 /nfs/dbraw/zinc/43/39/70/414433970.db2.gz QRADWMODMXNYNJ-GOEBONIOSA-N 2 2 297.443 0.945 20 0 CCADLP CC(C)C[NH2+]C1(CO)CC[NH+]([C@H]2CCCN(C)C2=O)CC1 ZINC000660696822 414444815 /nfs/dbraw/zinc/44/48/15/414444815.db2.gz QDJAOBGWHSDUGS-AWEZNQCLSA-N 2 2 297.443 0.680 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)NCc2[nH+]ccn2C)C1 ZINC000660705389 414452936 /nfs/dbraw/zinc/45/29/36/414452936.db2.gz LKQBUOKEEDQZOW-NSHDSACASA-N 2 2 265.361 0.704 20 0 CCADLP C[C@@H]1CN(CC[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H](C)[N@@H+]1CCO ZINC000660724266 414463728 /nfs/dbraw/zinc/46/37/28/414463728.db2.gz CMMLIEHWFUSKEK-FZKCQIBNSA-N 2 2 299.459 0.483 20 0 CCADLP C[C@@H]1CN(CC[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H](C)[N@H+]1CCO ZINC000660724266 414463733 /nfs/dbraw/zinc/46/37/33/414463733.db2.gz CMMLIEHWFUSKEK-FZKCQIBNSA-N 2 2 299.459 0.483 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](n2ccnn2)C1 ZINC000660880500 414520578 /nfs/dbraw/zinc/52/05/78/414520578.db2.gz DPEFOHVAXHUXPA-ZIAGYGMSSA-N 2 2 281.404 0.616 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](n2ccnn2)C1 ZINC000660880500 414520582 /nfs/dbraw/zinc/52/05/82/414520582.db2.gz DPEFOHVAXHUXPA-ZIAGYGMSSA-N 2 2 281.404 0.616 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000660880500 414520585 /nfs/dbraw/zinc/52/05/85/414520585.db2.gz DPEFOHVAXHUXPA-ZIAGYGMSSA-N 2 2 281.404 0.616 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000660880500 414520588 /nfs/dbraw/zinc/52/05/88/414520588.db2.gz DPEFOHVAXHUXPA-ZIAGYGMSSA-N 2 2 281.404 0.616 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3CCCC[C@@H]32)CC1 ZINC000660927773 414532152 /nfs/dbraw/zinc/53/21/52/414532152.db2.gz DUXPWKJCOZBCPC-STQMWFEESA-N 2 2 251.374 0.635 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3CCCC[C@@H]32)CC1 ZINC000660927773 414532153 /nfs/dbraw/zinc/53/21/53/414532153.db2.gz DUXPWKJCOZBCPC-STQMWFEESA-N 2 2 251.374 0.635 20 0 CCADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1cnc[nH]1 ZINC000661088231 414554072 /nfs/dbraw/zinc/55/40/72/414554072.db2.gz HXADISWGHOVDAZ-UHFFFAOYSA-N 2 2 265.361 0.006 20 0 CCADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1cnc[nH]1 ZINC000661088231 414554075 /nfs/dbraw/zinc/55/40/75/414554075.db2.gz HXADISWGHOVDAZ-UHFFFAOYSA-N 2 2 265.361 0.006 20 0 CCADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1c[nH]cn1 ZINC000661088231 414554078 /nfs/dbraw/zinc/55/40/78/414554078.db2.gz HXADISWGHOVDAZ-UHFFFAOYSA-N 2 2 265.361 0.006 20 0 CCADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1c[nH]cn1 ZINC000661088231 414554081 /nfs/dbraw/zinc/55/40/81/414554081.db2.gz HXADISWGHOVDAZ-UHFFFAOYSA-N 2 2 265.361 0.006 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](CO)Cc1ccccc1 ZINC000661093576 414555782 /nfs/dbraw/zinc/55/57/82/414555782.db2.gz NXMBRIVYKUQLPT-HZPDHXFCSA-N 2 2 280.412 0.834 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](CO)Cc1ccccc1 ZINC000661093576 414555786 /nfs/dbraw/zinc/55/57/86/414555786.db2.gz NXMBRIVYKUQLPT-HZPDHXFCSA-N 2 2 280.412 0.834 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](CO)Cc1ccccc1 ZINC000661093576 414555789 /nfs/dbraw/zinc/55/57/89/414555789.db2.gz NXMBRIVYKUQLPT-HZPDHXFCSA-N 2 2 280.412 0.834 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](CO)Cc1ccccc1 ZINC000661093576 414555793 /nfs/dbraw/zinc/55/57/93/414555793.db2.gz NXMBRIVYKUQLPT-HZPDHXFCSA-N 2 2 280.412 0.834 20 0 CCADLP CCC[NH+]1CCC([NH2+]C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000038082564 174091623 /nfs/dbraw/zinc/09/16/23/174091623.db2.gz HRUPGCRQDKUNAR-LBPRGKRZSA-N 2 2 274.430 0.885 20 0 CCADLP CC(C)[NH+]1CCC([NH2+]C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000038082557 174091675 /nfs/dbraw/zinc/09/16/75/174091675.db2.gz YOUZFMZAYZNCAX-GFCCVEGCSA-N 2 2 274.430 0.884 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)CC1=CCSC1 ZINC000662267584 414703465 /nfs/dbraw/zinc/70/34/65/414703465.db2.gz VQGBCVMZGBVETO-ZDUSSCGKSA-N 2 2 274.430 0.531 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)CC1=CCSC1 ZINC000662267584 414703466 /nfs/dbraw/zinc/70/34/66/414703466.db2.gz VQGBCVMZGBVETO-ZDUSSCGKSA-N 2 2 274.430 0.531 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)CC1=CCSC1 ZINC000662267584 414703467 /nfs/dbraw/zinc/70/34/67/414703467.db2.gz VQGBCVMZGBVETO-ZDUSSCGKSA-N 2 2 274.430 0.531 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)CC1=CCSC1 ZINC000662267584 414703468 /nfs/dbraw/zinc/70/34/68/414703468.db2.gz VQGBCVMZGBVETO-ZDUSSCGKSA-N 2 2 274.430 0.531 20 0 CCADLP c1cncc(C[NH+]2CCN(C[C@@H]3C[NH2+]CCO3)CC2)c1 ZINC000662277927 414704411 /nfs/dbraw/zinc/70/44/11/414704411.db2.gz VJRIDPYXJFFTKK-HNNXBMFYSA-N 2 2 276.384 0.188 20 0 CCADLP CCN1CC[C@H]([N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC000662276290 414704821 /nfs/dbraw/zinc/70/48/21/414704821.db2.gz IUFMDNWBMWEBQL-JSGCOSHPSA-N 2 2 251.374 0.683 20 0 CCADLP CCN1CC[C@H]([N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC000662276290 414704822 /nfs/dbraw/zinc/70/48/22/414704822.db2.gz IUFMDNWBMWEBQL-JSGCOSHPSA-N 2 2 251.374 0.683 20 0 CCADLP c1nnc([C@H]2CCC[N@@H+](C[C@@H]3C[NH2+]CCO3)C2)n1C1CC1 ZINC000662276712 414704860 /nfs/dbraw/zinc/70/48/60/414704860.db2.gz LITKCEFADBOKHV-JSGCOSHPSA-N 2 2 291.399 0.781 20 0 CCADLP c1nnc([C@H]2CCC[N@H+](C[C@@H]3C[NH2+]CCO3)C2)n1C1CC1 ZINC000662276712 414704861 /nfs/dbraw/zinc/70/48/61/414704861.db2.gz LITKCEFADBOKHV-JSGCOSHPSA-N 2 2 291.399 0.781 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](CCO[C@H]2CC2(F)F)CCCO1 ZINC000662281276 414705520 /nfs/dbraw/zinc/70/55/20/414705520.db2.gz MAPUMAVVQCGQDB-ZJUUUORDSA-N 2 2 250.289 0.460 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](CCO[C@H]2CC2(F)F)CCCO1 ZINC000662281276 414705521 /nfs/dbraw/zinc/70/55/21/414705521.db2.gz MAPUMAVVQCGQDB-ZJUUUORDSA-N 2 2 250.289 0.460 20 0 CCADLP Cc1ccccc1NC(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662285601 414706001 /nfs/dbraw/zinc/70/60/01/414706001.db2.gz GFEZEOVZJLQJHV-UHFFFAOYSA-N 2 2 277.368 0.638 20 0 CCADLP COc1ccccc1CCC[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000662287618 414706747 /nfs/dbraw/zinc/70/67/47/414706747.db2.gz FGPIKXUTHPBZJD-CQSZACIVSA-N 2 2 282.384 0.242 20 0 CCADLP COc1ccccc1CCC[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000662287618 414706748 /nfs/dbraw/zinc/70/67/48/414706748.db2.gz FGPIKXUTHPBZJD-CQSZACIVSA-N 2 2 282.384 0.242 20 0 CCADLP Cc1ccc(C)c(OCCC[N@H+](CC[NH3+])C[C@@H](O)CO)c1 ZINC000662289936 414707128 /nfs/dbraw/zinc/70/71/28/414707128.db2.gz ZSQLMQFUJILORV-OAHLLOKOSA-N 2 2 296.411 0.686 20 0 CCADLP Cc1ccc(C)c(OCCC[N@@H+](CC[NH3+])C[C@@H](O)CO)c1 ZINC000662289936 414707129 /nfs/dbraw/zinc/70/71/29/414707129.db2.gz ZSQLMQFUJILORV-OAHLLOKOSA-N 2 2 296.411 0.686 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291928 414707314 /nfs/dbraw/zinc/70/73/14/414707314.db2.gz ARSIGDMNAXZUTE-HUUCEWRRSA-N 3 2 267.417 0.686 20 0 CCADLP Cc1cccc([C@@H]2C(=O)NCC[N@H+]2CCOCC[NH3+])c1 ZINC000662317987 414709131 /nfs/dbraw/zinc/70/91/31/414709131.db2.gz VKVYJYRGDVNIPE-CQSZACIVSA-N 2 2 277.368 0.443 20 0 CCADLP Cc1cccc([C@@H]2C(=O)NCC[N@@H+]2CCOCC[NH3+])c1 ZINC000662317987 414709132 /nfs/dbraw/zinc/70/91/32/414709132.db2.gz VKVYJYRGDVNIPE-CQSZACIVSA-N 2 2 277.368 0.443 20 0 CCADLP C[NH+](C)CCC[C@@H]1C[N@H+](CCn2ccccc2=O)CCO1 ZINC000662324175 414709888 /nfs/dbraw/zinc/70/98/88/414709888.db2.gz VQRHGRWWBHQUGU-OAHLLOKOSA-N 2 2 293.411 0.891 20 0 CCADLP C[NH+](C)CCC[C@@H]1C[N@@H+](CCn2ccccc2=O)CCO1 ZINC000662324175 414709889 /nfs/dbraw/zinc/70/98/89/414709889.db2.gz VQRHGRWWBHQUGU-OAHLLOKOSA-N 2 2 293.411 0.891 20 0 CCADLP CN(C)C(=O)N(C)[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000662008364 414686465 /nfs/dbraw/zinc/68/64/65/414686465.db2.gz NCULMNZQMTUZGO-UONOGXRCSA-N 2 2 298.431 0.129 20 0 CCADLP CN(C)C(=O)N(C)[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000662008364 414686466 /nfs/dbraw/zinc/68/64/66/414686466.db2.gz NCULMNZQMTUZGO-UONOGXRCSA-N 2 2 298.431 0.129 20 0 CCADLP CN(C)C(=O)N(C)[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000662008364 414686467 /nfs/dbraw/zinc/68/64/67/414686467.db2.gz NCULMNZQMTUZGO-UONOGXRCSA-N 2 2 298.431 0.129 20 0 CCADLP CN(C)C(=O)N(C)[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000662008364 414686468 /nfs/dbraw/zinc/68/64/68/414686468.db2.gz NCULMNZQMTUZGO-UONOGXRCSA-N 2 2 298.431 0.129 20 0 CCADLP C(C[N@@H+]1CC[C@@H]2COC[C@@H]2C1)[NH+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662030616 414687493 /nfs/dbraw/zinc/68/74/93/414687493.db2.gz ANFFXMXUPZTFPX-WCVJEAGWSA-N 2 2 280.412 0.923 20 0 CCADLP C(C[N@H+]1CC[C@@H]2COC[C@@H]2C1)[NH+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662030616 414687494 /nfs/dbraw/zinc/68/74/94/414687494.db2.gz ANFFXMXUPZTFPX-WCVJEAGWSA-N 2 2 280.412 0.923 20 0 CCADLP C(C[N@@H+]1CC[C@@H]2COC[C@@H]2C1)[NH+]1CC[C@@H]2COC[C@H]2C1 ZINC000662030612 414687866 /nfs/dbraw/zinc/68/78/66/414687866.db2.gz ANFFXMXUPZTFPX-FPCVCCKLSA-N 2 2 280.412 0.923 20 0 CCADLP C(C[N@H+]1CC[C@@H]2COC[C@@H]2C1)[NH+]1CC[C@@H]2COC[C@H]2C1 ZINC000662030612 414687867 /nfs/dbraw/zinc/68/78/67/414687867.db2.gz ANFFXMXUPZTFPX-FPCVCCKLSA-N 2 2 280.412 0.923 20 0 CCADLP C(C[N@@H+]1CC[C@@H]2COC[C@H]2C1)[NH+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662030612 414687868 /nfs/dbraw/zinc/68/78/68/414687868.db2.gz ANFFXMXUPZTFPX-FPCVCCKLSA-N 2 2 280.412 0.923 20 0 CCADLP C(C[N@H+]1CC[C@@H]2COC[C@H]2C1)[NH+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662030612 414687869 /nfs/dbraw/zinc/68/78/69/414687869.db2.gz ANFFXMXUPZTFPX-FPCVCCKLSA-N 2 2 280.412 0.923 20 0 CCADLP CCN(CC)C(=O)[C@@H](C)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662154551 414694156 /nfs/dbraw/zinc/69/41/56/414694156.db2.gz GOOBHXUBBDHXTL-UKRRQHHQSA-N 2 2 297.443 0.774 20 0 CCADLP CCN(CC)C(=O)[C@@H](C)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662154551 414694157 /nfs/dbraw/zinc/69/41/57/414694157.db2.gz GOOBHXUBBDHXTL-UKRRQHHQSA-N 2 2 297.443 0.774 20 0 CCADLP CNS(=O)(=O)c1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000662247006 414699285 /nfs/dbraw/zinc/69/92/85/414699285.db2.gz XRLPCLMPEHRHIZ-FZMZJTMJSA-N 2 2 297.424 0.764 20 0 CCADLP CNS(=O)(=O)c1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000662247006 414699286 /nfs/dbraw/zinc/69/92/86/414699286.db2.gz XRLPCLMPEHRHIZ-FZMZJTMJSA-N 2 2 297.424 0.764 20 0 CCADLP O=C(NCC1CC1)[C@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662252189 414699973 /nfs/dbraw/zinc/69/99/73/414699973.db2.gz MQEYNCXIJVXWQS-UONOGXRCSA-N 2 2 281.400 0.213 20 0 CCADLP O=C(NCC1CC1)[C@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662252189 414699974 /nfs/dbraw/zinc/69/99/74/414699974.db2.gz MQEYNCXIJVXWQS-UONOGXRCSA-N 2 2 281.400 0.213 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)[C@@H]2[NH2+]CCC2(C)C)CC1 ZINC000662743719 414755057 /nfs/dbraw/zinc/75/50/57/414755057.db2.gz LICDBZROIWTTON-AWEZNQCLSA-N 2 2 297.443 0.944 20 0 CCADLP [NH3+][C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC[C@H]1F ZINC000662748766 414756552 /nfs/dbraw/zinc/75/65/52/414756552.db2.gz GBOUEAHZNXPHDS-MCIONIFRSA-N 2 2 299.390 0.528 20 0 CCADLP [NH3+][C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC[C@H]1F ZINC000662748766 414756554 /nfs/dbraw/zinc/75/65/54/414756554.db2.gz GBOUEAHZNXPHDS-MCIONIFRSA-N 2 2 299.390 0.528 20 0 CCADLP Cn1cc[nH+]c1[C@H]1N(C(=O)COCC[NH3+])CC1(C)C ZINC000662760559 414768402 /nfs/dbraw/zinc/76/84/02/414768402.db2.gz WVRAMLKIAKBEHF-LLVKDONJSA-N 2 2 266.345 0.305 20 0 CCADLP CC(C)(CNC(=O)C[N@@H+]1CC2CC1(C)C2)[NH+]1CCOCC1 ZINC000662381368 414712702 /nfs/dbraw/zinc/71/27/02/414712702.db2.gz XRZAROJUEIDMJZ-UHFFFAOYSA-N 2 2 295.427 0.698 20 0 CCADLP CC(C)(CNC(=O)C[N@H+]1CC2CC1(C)C2)[NH+]1CCOCC1 ZINC000662381368 414712703 /nfs/dbraw/zinc/71/27/03/414712703.db2.gz XRZAROJUEIDMJZ-UHFFFAOYSA-N 2 2 295.427 0.698 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000662427634 414717204 /nfs/dbraw/zinc/71/72/04/414717204.db2.gz SYPTYCDFIBFBMH-HNNXBMFYSA-N 3 2 296.459 0.659 20 0 CCADLP C[C@@H]1Cc2cc(C(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])ccc2O1 ZINC000662429653 414717634 /nfs/dbraw/zinc/71/76/34/414717634.db2.gz QJJVAHPBJMPBTM-RISCZKNCSA-N 2 2 289.379 0.725 20 0 CCADLP C[C@@H]1Cc2cc(C(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])ccc2O1 ZINC000662429653 414717635 /nfs/dbraw/zinc/71/76/35/414717635.db2.gz QJJVAHPBJMPBTM-RISCZKNCSA-N 2 2 289.379 0.725 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000662446796 414719010 /nfs/dbraw/zinc/71/90/10/414719010.db2.gz IXQOPYCZRFGHFH-TUAOUCFPSA-N 2 2 257.378 0.210 20 0 CCADLP Cc1cc(NC(=O)c2cnnn2C2CC[NH2+]CC2)cc[nH+]1 ZINC000662525167 414725155 /nfs/dbraw/zinc/72/51/55/414725155.db2.gz RLSYRALAAJJTCE-UHFFFAOYSA-N 2 2 286.339 0.580 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)Nc1ccc(-c2n[nH]c(C[NH3+])n2)cc1 ZINC000662558289 414728373 /nfs/dbraw/zinc/72/83/73/414728373.db2.gz UHKQKEIGHAQGMS-NSHDSACASA-N 2 2 288.355 0.867 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662595139 414731299 /nfs/dbraw/zinc/73/12/99/414731299.db2.gz XZETXRQAMJLCTM-QWHCGFSZSA-N 3 2 284.448 0.502 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662595139 414731300 /nfs/dbraw/zinc/73/13/00/414731300.db2.gz XZETXRQAMJLCTM-QWHCGFSZSA-N 3 2 284.448 0.502 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000662629154 414734571 /nfs/dbraw/zinc/73/45/71/414734571.db2.gz CLGQHDTZBNGHQS-GRYCIOLGSA-N 2 2 257.378 0.195 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000662629154 414734572 /nfs/dbraw/zinc/73/45/72/414734572.db2.gz CLGQHDTZBNGHQS-GRYCIOLGSA-N 2 2 257.378 0.195 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000662632833 414735531 /nfs/dbraw/zinc/73/55/31/414735531.db2.gz HKKLLXVNQICSSQ-ZIAGYGMSSA-N 3 2 284.448 0.504 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000662632833 414735532 /nfs/dbraw/zinc/73/55/32/414735532.db2.gz HKKLLXVNQICSSQ-ZIAGYGMSSA-N 3 2 284.448 0.504 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(C[NH3+])o1 ZINC000662634976 414735982 /nfs/dbraw/zinc/73/59/82/414735982.db2.gz SXZKADTZIJYCDM-UHFFFAOYSA-N 3 2 282.388 0.352 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(C[NH3+])o1 ZINC000662634976 414735983 /nfs/dbraw/zinc/73/59/83/414735983.db2.gz SXZKADTZIJYCDM-UHFFFAOYSA-N 3 2 282.388 0.352 20 0 CCADLP COCc1csc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000662664128 414738803 /nfs/dbraw/zinc/73/88/03/414738803.db2.gz OMGOAIFGVJQAQH-LBPRGKRZSA-N 2 2 285.413 0.790 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC[C@@]1(C)CC1(F)F ZINC000662665569 414738931 /nfs/dbraw/zinc/73/89/31/414738931.db2.gz KAOGBPHGDIUYHV-KOLCDFICSA-N 2 2 263.332 0.817 20 0 CCADLP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCCCNc1cccc[nH+]1 ZINC000662682224 414740567 /nfs/dbraw/zinc/74/05/67/414740567.db2.gz OXCWZCUBDUARMF-NEPJUHHUSA-N 2 2 278.356 0.364 20 0 CCADLP [NH3+]CC12CC(C1)CN2C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000662682711 414740666 /nfs/dbraw/zinc/74/06/66/414740666.db2.gz OLLBCETXQKVGSH-UHFFFAOYSA-N 2 2 283.335 0.831 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2[NH2+]CCC2(C)C)CCO1 ZINC000662702072 414743051 /nfs/dbraw/zinc/74/30/51/414743051.db2.gz WRIDWDCTJBWZOL-VXGBXAGGSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2[NH2+]CCC2(C)C)CCO1 ZINC000662702072 414743052 /nfs/dbraw/zinc/74/30/52/414743052.db2.gz WRIDWDCTJBWZOL-VXGBXAGGSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662714951 414745639 /nfs/dbraw/zinc/74/56/39/414745639.db2.gz NHWQHYKZHABARX-NEPJUHHUSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662714951 414745640 /nfs/dbraw/zinc/74/56/40/414745640.db2.gz NHWQHYKZHABARX-NEPJUHHUSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)c2conc2C(C)(C)[NH3+])CCO1 ZINC000575136663 335071524 /nfs/dbraw/zinc/07/15/24/335071524.db2.gz GLVZXXJPBVMLNK-JTQLQIEISA-N 2 2 296.371 0.319 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)c2conc2C(C)(C)[NH3+])CCO1 ZINC000575136663 335071525 /nfs/dbraw/zinc/07/15/25/335071525.db2.gz GLVZXXJPBVMLNK-JTQLQIEISA-N 2 2 296.371 0.319 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C2([NH3+])CCCCC2)[C@H](C)CO1 ZINC000662861279 414852493 /nfs/dbraw/zinc/85/24/93/414852493.db2.gz ZIJKINPIRPUUEG-CHWSQXEVSA-N 2 2 283.416 0.873 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2([NH3+])CCCCC2)[C@H](C)CO1 ZINC000662861279 414852500 /nfs/dbraw/zinc/85/25/00/414852500.db2.gz ZIJKINPIRPUUEG-CHWSQXEVSA-N 2 2 283.416 0.873 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)C2([NH3+])CCCC2)[C@@H](C)CO1 ZINC000662861277 414852854 /nfs/dbraw/zinc/85/28/54/414852854.db2.gz ZHSUZOZLKVQERR-RYUDHWBXSA-N 2 2 269.389 0.483 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)C2([NH3+])CCCC2)[C@@H](C)CO1 ZINC000662861277 414852858 /nfs/dbraw/zinc/85/28/58/414852858.db2.gz ZHSUZOZLKVQERR-RYUDHWBXSA-N 2 2 269.389 0.483 20 0 CCADLP COc1cc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)ccn1 ZINC000662899733 414880109 /nfs/dbraw/zinc/88/01/09/414880109.db2.gz IUBLOJXKUANGJY-SNVBAGLBSA-N 2 2 252.318 0.308 20 0 CCADLP CN(C(=O)CC1([NH3+])CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899703 414880901 /nfs/dbraw/zinc/88/09/01/414880901.db2.gz FQNWRFNYNNQHFC-CQSZACIVSA-N 3 2 294.443 0.495 20 0 CCADLP CN(C(=O)CC1([NH3+])CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899703 414880905 /nfs/dbraw/zinc/88/09/05/414880905.db2.gz FQNWRFNYNNQHFC-CQSZACIVSA-N 3 2 294.443 0.495 20 0 CCADLP C[C@H](C[NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662901840 414882355 /nfs/dbraw/zinc/88/23/55/414882355.db2.gz ZXGYXHVAOJKVEJ-TZMCWYRMSA-N 3 2 282.432 0.208 20 0 CCADLP C[C@H](C[NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662901840 414882360 /nfs/dbraw/zinc/88/23/60/414882360.db2.gz ZXGYXHVAOJKVEJ-TZMCWYRMSA-N 3 2 282.432 0.208 20 0 CCADLP CC[C@H]([NH3+])C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662910088 414884193 /nfs/dbraw/zinc/88/41/93/414884193.db2.gz KGHQNWXMXGSEEB-ZDUSSCGKSA-N 2 2 269.389 0.295 20 0 CCADLP O=C([C@H]1CCC[NH2+]1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662911136 414886941 /nfs/dbraw/zinc/88/69/41/414886941.db2.gz RUSSMELHPZDTTD-CQSZACIVSA-N 2 2 281.400 0.309 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH+](C)CC2)[C@H](C)CO1 ZINC000663445447 415067116 /nfs/dbraw/zinc/06/71/16/415067116.db2.gz IJCUQYRUFRVJLY-CHWSQXEVSA-N 2 2 298.431 0.489 20 0 CCADLP Cc1cc(CO)cc(N2CC[NH+](C[C@H](C)O)CC2)[nH+]1 ZINC000663540127 415083400 /nfs/dbraw/zinc/08/34/00/415083400.db2.gz RXFWHFYALPDRFM-LBPRGKRZSA-N 2 2 265.357 0.385 20 0 CCADLP O=C(Nc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1C[NH2+]CCO1 ZINC000043708801 175102030 /nfs/dbraw/zinc/10/20/30/175102030.db2.gz LLRQBPUHBHMGAJ-NSHDSACASA-N 2 2 273.296 0.194 20 0 CCADLP Cc1noc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000663943807 415181209 /nfs/dbraw/zinc/18/12/09/415181209.db2.gz SNXBQEJQHUXNJR-UHFFFAOYSA-N 2 2 298.391 0.061 20 0 CCADLP Cc1noc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000663943807 415181215 /nfs/dbraw/zinc/18/12/15/415181215.db2.gz SNXBQEJQHUXNJR-UHFFFAOYSA-N 2 2 298.391 0.061 20 0 CCADLP Cc1cc(NC(=O)C[NH+]2CCC(C[NH3+])CC2)no1 ZINC000044513301 175188660 /nfs/dbraw/zinc/18/86/60/175188660.db2.gz QBFZQKUFJWKMCO-UHFFFAOYSA-N 2 2 252.318 0.592 20 0 CCADLP C[C@@H](CCNC(=O)NCc1[nH+]ccn1C)[NH+](C)C ZINC000663975312 415191069 /nfs/dbraw/zinc/19/10/69/415191069.db2.gz PGKDFZOYTFLXEU-JTQLQIEISA-N 2 2 253.350 0.560 20 0 CCADLP C[C@@H](CCNc1[nH+]cnc2c1OCCN2)[NH+](C)C ZINC000664246887 415299977 /nfs/dbraw/zinc/29/99/77/415299977.db2.gz ZIUNSJCPMOKTSP-VIFPVBQESA-N 2 2 251.334 0.146 20 0 CCADLP C[C@@H](CCNc1nc[nH+]c2c1OCCN2)[NH+](C)C ZINC000664246887 415299980 /nfs/dbraw/zinc/29/99/80/415299980.db2.gz ZIUNSJCPMOKTSP-VIFPVBQESA-N 2 2 251.334 0.146 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNc1nccc(CO)n1 ZINC000664248014 415300217 /nfs/dbraw/zinc/30/02/17/415300217.db2.gz MIBRRPDGHHEFJW-UHFFFAOYSA-N 2 2 267.377 0.264 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNc1nccc(CO)n1 ZINC000664248014 415300224 /nfs/dbraw/zinc/30/02/24/415300224.db2.gz MIBRRPDGHHEFJW-UHFFFAOYSA-N 2 2 267.377 0.264 20 0 CCADLP C[C@@H](CCNC(=O)NCC1([NH+]2CCOCC2)CC1)[NH+](C)C ZINC000664760053 415467056 /nfs/dbraw/zinc/46/70/56/415467056.db2.gz PYKGUMSSXDKNOP-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP COC[C@H]([NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)C1CCOCC1 ZINC000665235899 415572469 /nfs/dbraw/zinc/57/24/69/415572469.db2.gz CAPZDKZJXBTPAY-CFVMTHIKSA-N 2 2 286.416 0.785 20 0 CCADLP C[C@H]([NH2+]Cc1nc(C(N)=O)cs1)[C@@H]1CCC[NH2+]C1 ZINC000665273157 415584010 /nfs/dbraw/zinc/58/40/10/415584010.db2.gz QTFIIDPSQNDHRG-DTWKUNHWSA-N 2 2 268.386 0.720 20 0 CCADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000665294082 415590058 /nfs/dbraw/zinc/59/00/58/415590058.db2.gz HOQXIHCOXRDQJR-DTWKUNHWSA-N 3 2 251.334 0.000 20 0 CCADLP NC(=O)[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000072073519 176312558 /nfs/dbraw/zinc/31/25/58/176312558.db2.gz ZORXNGCGRVJKDH-CQSZACIVSA-N 2 2 286.335 0.558 20 0 CCADLP NC(=O)[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000072073519 176312559 /nfs/dbraw/zinc/31/25/59/176312559.db2.gz ZORXNGCGRVJKDH-CQSZACIVSA-N 2 2 286.335 0.558 20 0 CCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[NH+](C)CC1 ZINC000665636775 416469314 /nfs/dbraw/zinc/46/93/14/416469314.db2.gz JGQJRFUPPBYAKU-AWEZNQCLSA-N 3 2 299.463 0.215 20 0 CCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[NH+](C)CC1 ZINC000665636775 416469320 /nfs/dbraw/zinc/46/93/20/416469320.db2.gz JGQJRFUPPBYAKU-AWEZNQCLSA-N 3 2 299.463 0.215 20 0 CCADLP c1nc(N2CC[N@H+]3CCCC[C@H]3C2)c2c([nH+]1)NCCO2 ZINC000665691490 416474783 /nfs/dbraw/zinc/47/47/83/416474783.db2.gz OMCCFXHXPOAXPT-NSHDSACASA-N 2 2 275.356 0.955 20 0 CCADLP c1nc(N2CC[N@@H+]3CCCC[C@H]3C2)c2c([nH+]1)NCCO2 ZINC000665691490 416474785 /nfs/dbraw/zinc/47/47/85/416474785.db2.gz OMCCFXHXPOAXPT-NSHDSACASA-N 2 2 275.356 0.955 20 0 CCADLP C[C@@H]1CCCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)[C@@H]1C[NH3+] ZINC000188186048 287338593 /nfs/dbraw/zinc/33/85/93/287338593.db2.gz NGSXGNQXIBZCAC-BXKDBHETSA-N 2 2 277.372 0.255 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc(C)nn1C ZINC000417904619 227128510 /nfs/dbraw/zinc/12/85/10/227128510.db2.gz WERQAAUYQMOLSC-ZDUSSCGKSA-N 2 2 266.389 0.929 20 0 CCADLP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1cc(C)nn1C ZINC000417904619 227128516 /nfs/dbraw/zinc/12/85/16/227128516.db2.gz WERQAAUYQMOLSC-ZDUSSCGKSA-N 2 2 266.389 0.929 20 0 CCADLP O=C(NCc1[nH]cc[nH+]1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000080626162 544479876 /nfs/dbraw/zinc/47/98/76/544479876.db2.gz COYGTXHNAGJGAK-SECBINFHSA-N 2 2 262.235 0.568 20 0 CCADLP [NH3+]CCOCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000093231910 544540684 /nfs/dbraw/zinc/54/06/84/544540684.db2.gz KUAZIJNAOFQGOY-UHFFFAOYSA-N 2 2 293.367 0.433 20 0 CCADLP [NH3+]C1(CC(=O)N2CC[NH+](Cc3ccncc3)CC2)CCC1 ZINC000094294381 544543952 /nfs/dbraw/zinc/54/39/52/544543952.db2.gz PGYMGRAXCKWLGM-UHFFFAOYSA-N 2 2 288.395 0.997 20 0 CCADLP O=C(NCc1c[nH+]c[nH]1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000088751055 544509985 /nfs/dbraw/zinc/50/99/85/544509985.db2.gz OMQVDFKQQJRFLA-CYBMUJFWSA-N 2 2 256.309 0.913 20 0 CCADLP O=C(NCc1c[nH]c[nH+]1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000088751055 544509990 /nfs/dbraw/zinc/50/99/90/544509990.db2.gz OMQVDFKQQJRFLA-CYBMUJFWSA-N 2 2 256.309 0.913 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111247370 544561923 /nfs/dbraw/zinc/56/19/23/544561923.db2.gz QFYLLWLTIMPCHR-SNVBAGLBSA-N 2 2 276.262 0.578 20 0 CCADLP Cc1nc(NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)nc(N)[nH+]1 ZINC000631048920 419472162 /nfs/dbraw/zinc/47/21/62/419472162.db2.gz ACCYQZXGCGBURO-NXEZZACHSA-N 2 2 280.376 0.095 20 0 CCADLP Cc1nc(N)nc(NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)[nH+]1 ZINC000631048920 419472169 /nfs/dbraw/zinc/47/21/69/419472169.db2.gz ACCYQZXGCGBURO-NXEZZACHSA-N 2 2 280.376 0.095 20 0 CCADLP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000134976315 544632885 /nfs/dbraw/zinc/63/28/85/544632885.db2.gz CRNXRSGUDYGGNC-KGLIPLIRSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000134976315 544632890 /nfs/dbraw/zinc/63/28/90/544632890.db2.gz CRNXRSGUDYGGNC-KGLIPLIRSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H]([C@H](C)NC(=O)c1ccc(C[NH3+])o1)[NH+]1CCOCC1 ZINC000167689981 544728365 /nfs/dbraw/zinc/72/83/65/544728365.db2.gz WJVLZOXGVYKGTO-WDEREUQCSA-N 2 2 281.356 0.577 20 0 CCADLP CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000133866736 287599961 /nfs/dbraw/zinc/59/99/61/287599961.db2.gz IGHGYRAAEMJQDZ-RWMBFGLXSA-N 2 2 271.405 0.648 20 0 CCADLP CC[C@H]1C[N@@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)CCO1 ZINC000249062766 544917015 /nfs/dbraw/zinc/91/70/15/544917015.db2.gz RLUNYGRWIAVHJA-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@H]1C[N@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)CCO1 ZINC000249062766 544917019 /nfs/dbraw/zinc/91/70/19/544917019.db2.gz RLUNYGRWIAVHJA-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000251728697 544926944 /nfs/dbraw/zinc/92/69/44/544926944.db2.gz KHLQIVODNLHRNX-XJFOESAGSA-N 2 2 283.416 0.681 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000251728697 544926950 /nfs/dbraw/zinc/92/69/50/544926950.db2.gz KHLQIVODNLHRNX-XJFOESAGSA-N 2 2 283.416 0.681 20 0 CCADLP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000305837544 545009355 /nfs/dbraw/zinc/00/93/55/545009355.db2.gz QAMFQHXWMJRSBX-ZYHUDNBSSA-N 2 2 252.362 0.825 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000333624722 545040972 /nfs/dbraw/zinc/04/09/72/545040972.db2.gz FRRCKIHVBFGUBO-SYQHCUMBSA-N 2 2 296.415 0.419 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000333624722 545040974 /nfs/dbraw/zinc/04/09/74/545040974.db2.gz FRRCKIHVBFGUBO-SYQHCUMBSA-N 2 2 296.415 0.419 20 0 CCADLP CC(C)[C@H](CCO)[NH2+]C[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000355056332 545074370 /nfs/dbraw/zinc/07/43/70/545074370.db2.gz MXXHJSZRRUPPMH-TUVASFSCSA-N 2 2 288.432 0.453 20 0 CCADLP C[C@@H]1C[N@H+](CCSCC[NH+]2CCOCC2)CCO1 ZINC000188286902 262289249 /nfs/dbraw/zinc/28/92/49/262289249.db2.gz IDRSBGZOJXHQNQ-CYBMUJFWSA-N 2 2 274.430 0.773 20 0 CCADLP C[C@@H]1C[N@@H+](CCSCC[NH+]2CCOCC2)CCO1 ZINC000188286902 262289251 /nfs/dbraw/zinc/28/92/51/262289251.db2.gz IDRSBGZOJXHQNQ-CYBMUJFWSA-N 2 2 274.430 0.773 20 0 CCADLP COCCOC[C@@H](O)C[NH2+]CCc1cc[nH+]cc1C ZINC000518965709 265253049 /nfs/dbraw/zinc/25/30/49/265253049.db2.gz UIZBJUWGMVHOLQ-AWEZNQCLSA-N 2 2 268.357 0.546 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCN(C(C)C)C2=O)n1C ZINC000519001016 265289875 /nfs/dbraw/zinc/28/98/75/265289875.db2.gz NBYUAMSYSYWXDB-GFCCVEGCSA-N 2 2 250.346 0.827 20 0 CCADLP CCCCCOCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000519152240 265339328 /nfs/dbraw/zinc/33/93/28/265339328.db2.gz IBDOVAGELHCNMM-GFCCVEGCSA-N 2 2 257.378 0.295 20 0 CCADLP CCCCCOCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000519152240 265339330 /nfs/dbraw/zinc/33/93/30/265339330.db2.gz IBDOVAGELHCNMM-GFCCVEGCSA-N 2 2 257.378 0.295 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H](C)[N@H+]1C ZINC000358711104 274328718 /nfs/dbraw/zinc/32/87/18/274328718.db2.gz QEOMKGXBVWIFGI-FRRDWIJNSA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H](C)[N@@H+]1C ZINC000358711104 274328720 /nfs/dbraw/zinc/32/87/20/274328720.db2.gz QEOMKGXBVWIFGI-FRRDWIJNSA-N 2 2 276.384 0.997 20 0 CCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[NH+](C2CC2)CC1 ZINC000334271531 275009057 /nfs/dbraw/zinc/00/90/57/275009057.db2.gz HGYLNGUOJSCHRX-LBPRGKRZSA-N 2 2 274.368 0.752 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377195761 276020242 /nfs/dbraw/zinc/02/02/42/276020242.db2.gz FXTMZAAIRFMJBT-OCCSQVGLSA-N 3 2 282.432 0.254 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377195761 276020244 /nfs/dbraw/zinc/02/02/44/276020244.db2.gz FXTMZAAIRFMJBT-OCCSQVGLSA-N 3 2 282.432 0.254 20 0 CCADLP CC[NH+](CC)CCCNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000349803554 276097061 /nfs/dbraw/zinc/09/70/61/276097061.db2.gz SNYGCLGNHPXIND-AWEZNQCLSA-N 2 2 299.463 0.263 20 0 CCADLP CC[NH+](CC)CCCNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000349803554 276097062 /nfs/dbraw/zinc/09/70/62/276097062.db2.gz SNYGCLGNHPXIND-AWEZNQCLSA-N 2 2 299.463 0.263 20 0 CCADLP CC[NH+]1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000335426943 276188626 /nfs/dbraw/zinc/18/86/26/276188626.db2.gz NKEDXHPVSUGSCS-UHFFFAOYSA-N 2 2 251.374 0.779 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc[nH]n3)C2)CC1 ZINC000093133387 276201263 /nfs/dbraw/zinc/20/12/63/276201263.db2.gz VISWTPQQUXVAPV-AWEZNQCLSA-N 2 2 263.389 0.622 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc[nH]n3)C2)CC1 ZINC000093133387 276201264 /nfs/dbraw/zinc/20/12/64/276201264.db2.gz VISWTPQQUXVAPV-AWEZNQCLSA-N 2 2 263.389 0.622 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000423187935 276251272 /nfs/dbraw/zinc/25/12/72/276251272.db2.gz YOXYWEFUCUXOJC-UONOGXRCSA-N 3 2 254.422 0.212 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000423187935 276251275 /nfs/dbraw/zinc/25/12/75/276251275.db2.gz YOXYWEFUCUXOJC-UONOGXRCSA-N 3 2 254.422 0.212 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)C1 ZINC000347812338 276251524 /nfs/dbraw/zinc/25/15/24/276251524.db2.gz QEVSVYXVKIGPAH-GOEBONIOSA-N 3 2 282.476 0.942 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)C1 ZINC000347812338 276251526 /nfs/dbraw/zinc/25/15/26/276251526.db2.gz QEVSVYXVKIGPAH-GOEBONIOSA-N 3 2 282.476 0.942 20 0 CCADLP CCO[C@@H]1COCC[C@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425348538 276341594 /nfs/dbraw/zinc/34/15/94/276341594.db2.gz YYNXJHLNNNXRRC-CHWSQXEVSA-N 2 2 282.388 0.770 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccccn3)C2)CC1 ZINC000369272121 277028668 /nfs/dbraw/zinc/02/86/68/277028668.db2.gz AAIADCMWNUASDM-ZDUSSCGKSA-N 2 2 288.395 0.980 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccccn3)C2)CC1 ZINC000369272121 277028670 /nfs/dbraw/zinc/02/86/70/277028670.db2.gz AAIADCMWNUASDM-ZDUSSCGKSA-N 2 2 288.395 0.980 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@H]2[C@@H](CCS2(=O)=O)C1 ZINC000353132849 277044815 /nfs/dbraw/zinc/04/48/15/277044815.db2.gz DBSGMGLHTRVGDT-MJBXVCDLSA-N 2 2 286.441 0.980 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@H]2[C@@H](CCS2(=O)=O)C1 ZINC000353132849 277044816 /nfs/dbraw/zinc/04/48/16/277044816.db2.gz DBSGMGLHTRVGDT-MJBXVCDLSA-N 2 2 286.441 0.980 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@H]2[C@@H](CCS2(=O)=O)C1 ZINC000353132849 277044817 /nfs/dbraw/zinc/04/48/17/277044817.db2.gz DBSGMGLHTRVGDT-MJBXVCDLSA-N 2 2 286.441 0.980 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1C[C@H]2[C@@H](CCS2(=O)=O)C1 ZINC000353132849 277044818 /nfs/dbraw/zinc/04/48/18/277044818.db2.gz DBSGMGLHTRVGDT-MJBXVCDLSA-N 2 2 286.441 0.980 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCOCC3(CCC3)C2)CC1 ZINC000375790266 277089907 /nfs/dbraw/zinc/08/99/07/277089907.db2.gz KHBXTKBDVMFTAP-UHFFFAOYSA-N 2 2 281.400 0.263 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCOCC3(CCC3)C2)CC1 ZINC000375790266 277089908 /nfs/dbraw/zinc/08/99/08/277089908.db2.gz KHBXTKBDVMFTAP-UHFFFAOYSA-N 2 2 281.400 0.263 20 0 CCADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000374370027 277127114 /nfs/dbraw/zinc/12/71/14/277127114.db2.gz ZXIPAEGWTHSUKL-CABCVRRESA-N 2 2 289.379 0.620 20 0 CCADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000374370027 277127116 /nfs/dbraw/zinc/12/71/16/277127116.db2.gz ZXIPAEGWTHSUKL-CABCVRRESA-N 2 2 289.379 0.620 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)C1 ZINC000374370027 277127117 /nfs/dbraw/zinc/12/71/17/277127117.db2.gz ZXIPAEGWTHSUKL-CABCVRRESA-N 2 2 289.379 0.620 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)C1 ZINC000374370027 277127118 /nfs/dbraw/zinc/12/71/18/277127118.db2.gz ZXIPAEGWTHSUKL-CABCVRRESA-N 2 2 289.379 0.620 20 0 CCADLP COCC[NH+]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000342412364 277225363 /nfs/dbraw/zinc/22/53/63/277225363.db2.gz XMDZTYJLYNDFEA-GASCZTMLSA-N 2 2 283.416 0.114 20 0 CCADLP COCC[NH+]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000342412364 277225364 /nfs/dbraw/zinc/22/53/64/277225364.db2.gz XMDZTYJLYNDFEA-GASCZTMLSA-N 2 2 283.416 0.114 20 0 CCADLP C[NH2+]CCC[N@H+](C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000435881361 277267075 /nfs/dbraw/zinc/26/70/75/277267075.db2.gz UPXPMXOZDCTPKR-UHFFFAOYSA-N 2 2 299.440 0.815 20 0 CCADLP C[NH2+]CCC[N@@H+](C)CCNS(=O)(=O)c1ccc(C)cc1 ZINC000435881361 277267076 /nfs/dbraw/zinc/26/70/76/277267076.db2.gz UPXPMXOZDCTPKR-UHFFFAOYSA-N 2 2 299.440 0.815 20 0 CCADLP CC(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369269014 277334791 /nfs/dbraw/zinc/33/47/91/277334791.db2.gz VBSCHWLZYIDHRR-LBPRGKRZSA-N 2 2 253.390 0.927 20 0 CCADLP CC(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369269014 277334793 /nfs/dbraw/zinc/33/47/93/277334793.db2.gz VBSCHWLZYIDHRR-LBPRGKRZSA-N 2 2 253.390 0.927 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@H]1C)[NH+]1CCSCC1 ZINC000335347327 278141272 /nfs/dbraw/zinc/14/12/72/278141272.db2.gz GUNXPUCUOLROFF-VXGBXAGGSA-N 2 2 271.430 0.586 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1C)[NH+]1CCSCC1 ZINC000335347327 278141273 /nfs/dbraw/zinc/14/12/73/278141273.db2.gz GUNXPUCUOLROFF-VXGBXAGGSA-N 2 2 271.430 0.586 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372807929 278229236 /nfs/dbraw/zinc/22/92/36/278229236.db2.gz SCVOGMMIMILOEI-RWMBFGLXSA-N 3 2 282.432 0.254 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372807929 278229238 /nfs/dbraw/zinc/22/92/38/278229238.db2.gz SCVOGMMIMILOEI-RWMBFGLXSA-N 3 2 282.432 0.254 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423317041 278295350 /nfs/dbraw/zinc/29/53/50/278295350.db2.gz BEMCPOKACPRUQD-STQMWFEESA-N 3 2 255.406 0.733 20 0 CCADLP C[C@H]([C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@H]1C)N1CCOCC1 ZINC000361183646 278304261 /nfs/dbraw/zinc/30/42/61/278304261.db2.gz ZUYBEJWDPKPWQY-RQJABVFESA-N 2 2 255.406 0.635 20 0 CCADLP C[C@H]([C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C)N1CCOCC1 ZINC000361183646 278304263 /nfs/dbraw/zinc/30/42/63/278304263.db2.gz ZUYBEJWDPKPWQY-RQJABVFESA-N 2 2 255.406 0.635 20 0 CCADLP CC(C)(C)NC(=O)CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422958752 278356711 /nfs/dbraw/zinc/35/67/11/278356711.db2.gz PTPPPSGDUNYPHJ-OCCSQVGLSA-N 2 2 283.416 0.648 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261708219 278364732 /nfs/dbraw/zinc/36/47/32/278364732.db2.gz JBNBHAOGSPDSJJ-QWRGUYRKSA-N 2 2 282.388 0.152 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261708219 278364733 /nfs/dbraw/zinc/36/47/33/278364733.db2.gz JBNBHAOGSPDSJJ-QWRGUYRKSA-N 2 2 282.388 0.152 20 0 CCADLP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000333529261 278561119 /nfs/dbraw/zinc/56/11/19/278561119.db2.gz XUAKSVBPRFRJOY-MWLCHTKSSA-N 2 2 265.361 0.100 20 0 CCADLP CCC(CC)[C@H](C(=O)NCC[NH+](C)C)[NH+]1CCOCC1 ZINC000175472487 278607426 /nfs/dbraw/zinc/60/74/26/278607426.db2.gz IJUDGTQRFIFWOA-CQSZACIVSA-N 2 2 285.432 0.801 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493296936 278970861 /nfs/dbraw/zinc/97/08/61/278970861.db2.gz WRTNJBLNNZNLRR-XDYXTIEYSA-N 2 2 290.367 0.745 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCSC[C@H]1CCO ZINC000516191127 279037711 /nfs/dbraw/zinc/03/77/11/279037711.db2.gz GJOULAMFIOCWOJ-NEPJUHHUSA-N 2 2 262.419 0.099 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCSC[C@H]1CCO ZINC000516191127 279037712 /nfs/dbraw/zinc/03/77/12/279037712.db2.gz GJOULAMFIOCWOJ-NEPJUHHUSA-N 2 2 262.419 0.099 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCSC[C@H]1CCO ZINC000516191127 279037714 /nfs/dbraw/zinc/03/77/14/279037714.db2.gz GJOULAMFIOCWOJ-NEPJUHHUSA-N 2 2 262.419 0.099 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCSC[C@H]1CCO ZINC000516191127 279037715 /nfs/dbraw/zinc/03/77/15/279037715.db2.gz GJOULAMFIOCWOJ-NEPJUHHUSA-N 2 2 262.419 0.099 20 0 CCADLP CC(C)N(C(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C(C)C ZINC000107573918 279286232 /nfs/dbraw/zinc/28/62/32/279286232.db2.gz ZMVZXKIVNYSLFY-BETUJISGSA-N 2 2 253.390 0.783 20 0 CCADLP CC(C)N(C(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C(C)C ZINC000107573918 279286233 /nfs/dbraw/zinc/28/62/33/279286233.db2.gz ZMVZXKIVNYSLFY-BETUJISGSA-N 2 2 253.390 0.783 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](C[NH2+]C)C2)CC1 ZINC000430606184 279343286 /nfs/dbraw/zinc/34/32/86/279343286.db2.gz UVIPULQEVKDXAX-HUUCEWRRSA-N 3 2 296.459 0.470 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](C[NH2+]C)C2)CC1 ZINC000430606184 279343288 /nfs/dbraw/zinc/34/32/88/279343288.db2.gz UVIPULQEVKDXAX-HUUCEWRRSA-N 3 2 296.459 0.470 20 0 CCADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1COCC[NH2+]1 ZINC000430738110 280013845 /nfs/dbraw/zinc/01/38/45/280013845.db2.gz DCQIOXBALFUOAW-CYBMUJFWSA-N 2 2 272.308 0.799 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000353452784 280069538 /nfs/dbraw/zinc/06/95/38/280069538.db2.gz QYXNZFYQYIPKRW-IHRRRGAJSA-N 2 2 283.416 0.457 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000353452784 280069540 /nfs/dbraw/zinc/06/95/40/280069540.db2.gz QYXNZFYQYIPKRW-IHRRRGAJSA-N 2 2 283.416 0.457 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000369048576 281286432 /nfs/dbraw/zinc/28/64/32/281286432.db2.gz PLCHOPXYRINYQJ-CZUORRHYSA-N 2 2 295.427 0.603 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000369048576 281286434 /nfs/dbraw/zinc/28/64/34/281286434.db2.gz PLCHOPXYRINYQJ-CZUORRHYSA-N 2 2 295.427 0.603 20 0 CCADLP CC[C@]1(C)COCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000357612127 281330890 /nfs/dbraw/zinc/33/08/90/281330890.db2.gz HOBXACLNAIOSQG-CQSZACIVSA-N 2 2 269.389 0.261 20 0 CCADLP CC[C@]1(C)COCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000357612127 281330892 /nfs/dbraw/zinc/33/08/92/281330892.db2.gz HOBXACLNAIOSQG-CQSZACIVSA-N 2 2 269.389 0.261 20 0 CCADLP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC000344822805 288588972 /nfs/dbraw/zinc/58/89/72/288588972.db2.gz HCUCGIYEGBUCMW-ZHSDAYTOSA-N 2 2 262.357 0.985 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423404606 288852839 /nfs/dbraw/zinc/85/28/39/288852839.db2.gz SOBVVJBXUGFNFK-XPABHHOTSA-N 3 2 267.417 0.874 20 0 CCADLP C[C@@H]1[C@H](NC(=O)CCc2c[nH+]cn2C)CCC[N@@H+]1C ZINC000339177897 289050731 /nfs/dbraw/zinc/05/07/31/289050731.db2.gz ZYAJXXNAWQWEGN-DGCLKSJQSA-N 2 2 264.373 0.952 20 0 CCADLP CN(C)[C@@H](C(=O)N(C)[C@@H]1CCC[N@H+](C)C1)c1c[nH+]cn1C ZINC000280935758 289270176 /nfs/dbraw/zinc/27/01/76/289270176.db2.gz KURSYBYODKHHOP-TZMCWYRMSA-N 2 2 293.415 0.575 20 0 CCADLP CN(C)[C@@H](C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)c1c[nH+]cn1C ZINC000280935758 289270179 /nfs/dbraw/zinc/27/01/79/289270179.db2.gz KURSYBYODKHHOP-TZMCWYRMSA-N 2 2 293.415 0.575 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)NCC[NH3+])c1c(F)cccc1F ZINC000417661898 289357816 /nfs/dbraw/zinc/35/78/16/289357816.db2.gz QRHVHVHCTGMAEL-LLVKDONJSA-N 2 2 286.326 0.825 20 0 CCADLP C[C@H](CCN1CCOCC1)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000422910368 289485320 /nfs/dbraw/zinc/48/53/20/289485320.db2.gz HXAOWZRIOGZANF-KFWWJZLASA-N 2 2 285.432 0.454 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]([NH3+])C1CCC1 ZINC000423825230 289634408 /nfs/dbraw/zinc/63/44/08/289634408.db2.gz KPOSQLGOKVESHV-LBPRGKRZSA-N 2 2 250.346 0.859 20 0 CCADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000423354296 290060207 /nfs/dbraw/zinc/06/02/07/290060207.db2.gz CPZOAGAIPIRPTC-SUNKGSAMSA-N 2 2 297.424 0.983 20 0 CCADLP CNC(=O)C1CCC([NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000334270979 290357735 /nfs/dbraw/zinc/35/77/35/290357735.db2.gz GFXYBGWAZMLUDT-YWPUVAFDSA-N 2 2 253.390 0.831 20 0 CCADLP CNC(=O)C1CCC([NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000334270979 290357740 /nfs/dbraw/zinc/35/77/40/290357740.db2.gz GFXYBGWAZMLUDT-YWPUVAFDSA-N 2 2 253.390 0.831 20 0 CCADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338171746 300104984 /nfs/dbraw/zinc/10/49/84/300104984.db2.gz CCOQPPJTXSRQPK-STQMWFEESA-N 2 2 283.416 0.648 20 0 CCADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338171746 300104987 /nfs/dbraw/zinc/10/49/87/300104987.db2.gz CCOQPPJTXSRQPK-STQMWFEESA-N 2 2 283.416 0.648 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000284438387 295393227 /nfs/dbraw/zinc/39/32/27/295393227.db2.gz PZHSCQHWSGFHOH-MUBLQREKSA-N 2 2 278.356 0.386 20 0 CCADLP CO[C@]1(CO)CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000401736392 545090306 /nfs/dbraw/zinc/09/03/06/545090306.db2.gz YRXRJMJTGXXIFN-CYBMUJFWSA-N 2 2 253.346 0.747 20 0 CCADLP CO[C@]1(CO)CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000401736392 545090307 /nfs/dbraw/zinc/09/03/07/545090307.db2.gz YRXRJMJTGXXIFN-CYBMUJFWSA-N 2 2 253.346 0.747 20 0 CCADLP CO[C@@]1(CO)CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000401791349 545090411 /nfs/dbraw/zinc/09/04/11/545090411.db2.gz HGLZJFMPLZOMLZ-KGLIPLIRSA-N 2 2 274.405 0.161 20 0 CCADLP CO[C@@]1(CO)CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000401791349 545090412 /nfs/dbraw/zinc/09/04/12/545090412.db2.gz HGLZJFMPLZOMLZ-KGLIPLIRSA-N 2 2 274.405 0.161 20 0 CCADLP CO[C@@]1(CO)CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000401791349 545090413 /nfs/dbraw/zinc/09/04/13/545090413.db2.gz HGLZJFMPLZOMLZ-KGLIPLIRSA-N 2 2 274.405 0.161 20 0 CCADLP CO[C@@]1(CO)CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000401791349 545090414 /nfs/dbraw/zinc/09/04/14/545090414.db2.gz HGLZJFMPLZOMLZ-KGLIPLIRSA-N 2 2 274.405 0.161 20 0 CCADLP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261556037 298129474 /nfs/dbraw/zinc/12/94/74/298129474.db2.gz BVCGZABUXBONIV-UTUOFQBUSA-N 2 2 253.390 0.973 20 0 CCADLP C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261556037 298129476 /nfs/dbraw/zinc/12/94/76/298129476.db2.gz BVCGZABUXBONIV-UTUOFQBUSA-N 2 2 253.390 0.973 20 0 CCADLP C[C@H](CC(=O)N(C)C)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449395000 298280911 /nfs/dbraw/zinc/28/09/11/298280911.db2.gz PAFMJTCZISXGKX-OLZOCXBDSA-N 2 2 271.405 0.290 20 0 CCADLP C[C@H](CC(=O)N(C)C)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449395000 298280917 /nfs/dbraw/zinc/28/09/17/298280917.db2.gz PAFMJTCZISXGKX-OLZOCXBDSA-N 2 2 271.405 0.290 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000423172134 300003831 /nfs/dbraw/zinc/00/38/31/300003831.db2.gz RLWDPKZZYHTQRG-LSDHHAIUSA-N 2 2 297.443 0.455 20 0 CCADLP [NH3+]CC[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000070169990 303386202 /nfs/dbraw/zinc/38/62/02/303386202.db2.gz INECZLQMMYRILH-LBPRGKRZSA-N 2 2 250.346 0.861 20 0 CCADLP CC(C)[NH2+]CCC(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000165748284 327618379 /nfs/dbraw/zinc/61/83/79/327618379.db2.gz KTWVMCTYLFJCPH-UHFFFAOYSA-N 2 2 297.403 0.871 20 0 CCADLP COC[C@H](O)C[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000584226741 327068667 /nfs/dbraw/zinc/06/86/67/327068667.db2.gz LUTJJBXTWKDQCV-GFCCVEGCSA-N 2 2 253.346 0.359 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]2CCC[C@H]2O)C[C@H](C)O1 ZINC000584232100 327071036 /nfs/dbraw/zinc/07/10/36/327071036.db2.gz DNZQLAMAHZXNPZ-XPABHHOTSA-N 2 2 286.416 0.207 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@@H]2CCC[C@H]2O)C[C@H](C)O1 ZINC000584232100 327071038 /nfs/dbraw/zinc/07/10/38/327071038.db2.gz DNZQLAMAHZXNPZ-XPABHHOTSA-N 2 2 286.416 0.207 20 0 CCADLP O=C(NCCNc1cccc[nH+]1)[C@@H]1CC12CC[NH2+]CC2 ZINC000566172036 327155206 /nfs/dbraw/zinc/15/52/06/327155206.db2.gz WIJVFTYMSWUWQJ-LBPRGKRZSA-N 2 2 274.368 0.999 20 0 CCADLP C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)[C@@H](C)C[NH2+]1 ZINC000566187929 327160641 /nfs/dbraw/zinc/16/06/41/327160641.db2.gz MCCLFWDCERYTFE-QWRGUYRKSA-N 2 2 286.339 0.485 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000583371572 327328639 /nfs/dbraw/zinc/32/86/39/327328639.db2.gz YKCYGJNYDDBIKY-AWEZNQCLSA-N 2 2 298.431 0.350 20 0 CCADLP COCCOC[C@@H](O)C[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000583435734 327362460 /nfs/dbraw/zinc/36/24/60/327362460.db2.gz BFWLZYOZOMEPPZ-KGLIPLIRSA-N 2 2 297.399 0.682 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000579587569 327392681 /nfs/dbraw/zinc/39/26/81/327392681.db2.gz AAHDUQUJDVAITB-ONGXEEELSA-N 2 2 268.386 0.743 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000579587569 327392683 /nfs/dbraw/zinc/39/26/83/327392683.db2.gz AAHDUQUJDVAITB-ONGXEEELSA-N 2 2 268.386 0.743 20 0 CCADLP OC[C@@H]1CCC[C@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000582175452 328608546 /nfs/dbraw/zinc/60/85/46/328608546.db2.gz NWROZLZGKFTRKN-UQOMUDLDSA-N 2 2 268.401 0.894 20 0 CCADLP CN1CCC[C@@H]([NH+]2CCC(CO)([NH2+]CC3CC3)CC2)C1=O ZINC000582423621 328986123 /nfs/dbraw/zinc/98/61/23/328986123.db2.gz FTTVARFUVALJSF-CQSZACIVSA-N 2 2 295.427 0.434 20 0 CCADLP Cc1nc(N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc[nH+]1 ZINC000582596978 329113648 /nfs/dbraw/zinc/11/36/48/329113648.db2.gz OYYLBDUSHNEIQG-CYBMUJFWSA-N 2 2 289.383 0.433 20 0 CCADLP CC(C)n1nccc1CN1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000394585959 329127491 /nfs/dbraw/zinc/12/74/91/329127491.db2.gz BUSRWTPWNULIME-CYBMUJFWSA-N 2 2 251.378 0.539 20 0 CCADLP CC(C)n1nccc1CN1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000394585959 329127492 /nfs/dbraw/zinc/12/74/92/329127492.db2.gz BUSRWTPWNULIME-CYBMUJFWSA-N 2 2 251.378 0.539 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000582861905 329277983 /nfs/dbraw/zinc/27/79/83/329277983.db2.gz BMNKNFHZOQLWQS-RYUDHWBXSA-N 2 2 264.373 0.902 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCS[C@@H]2COCC[C@H]21 ZINC000575427623 335102974 /nfs/dbraw/zinc/10/29/74/335102974.db2.gz WWRKDVRUGFLQCZ-YNEHKIRRSA-N 2 2 274.430 0.505 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCS[C@@H]2COCC[C@H]21 ZINC000575427623 335102975 /nfs/dbraw/zinc/10/29/75/335102975.db2.gz WWRKDVRUGFLQCZ-YNEHKIRRSA-N 2 2 274.430 0.505 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000575427623 335102976 /nfs/dbraw/zinc/10/29/76/335102976.db2.gz WWRKDVRUGFLQCZ-YNEHKIRRSA-N 2 2 274.430 0.505 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000575427623 335102977 /nfs/dbraw/zinc/10/29/77/335102977.db2.gz WWRKDVRUGFLQCZ-YNEHKIRRSA-N 2 2 274.430 0.505 20 0 CCADLP C[C@@H](CO)[C@@H](C)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000575987592 335138889 /nfs/dbraw/zinc/13/88/89/335138889.db2.gz QERFUXTWCKLXIV-ODXJTPSBSA-N 2 2 274.405 0.063 20 0 CCADLP C[C@@H](CO)[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000575987592 335138890 /nfs/dbraw/zinc/13/88/90/335138890.db2.gz QERFUXTWCKLXIV-ODXJTPSBSA-N 2 2 274.405 0.063 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CCCC[NH+]2CCOCC2)n1C ZINC000576003742 335140810 /nfs/dbraw/zinc/14/08/10/335140810.db2.gz CLWIDFMWFYAESE-UHFFFAOYSA-N 3 2 266.389 0.931 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)CCC[NH+](C)C ZINC000543657758 333887321 /nfs/dbraw/zinc/88/73/21/333887321.db2.gz LGEGMSZLDRHZNM-LBPRGKRZSA-N 2 2 267.377 0.865 20 0 CCADLP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]([NH3+])c2cscn2)C1 ZINC000576223244 335172782 /nfs/dbraw/zinc/17/27/82/335172782.db2.gz UEPMJEMYERMDIP-GXSJLCMTSA-N 2 2 268.386 0.696 20 0 CCADLP CC1(C)C[NH+](CC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000553497949 334388470 /nfs/dbraw/zinc/38/84/70/334388470.db2.gz XQEZNJWMKQKDIU-AWEZNQCLSA-N 2 2 295.427 0.509 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000576412774 335201141 /nfs/dbraw/zinc/20/11/41/335201141.db2.gz QINCCBPANKIGLO-SNVBAGLBSA-N 2 2 261.329 0.518 20 0 CCADLP CC(C)Cn1cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cn1 ZINC000576479174 335209910 /nfs/dbraw/zinc/20/99/10/335209910.db2.gz BLXAEIHBNHAKSS-KGLIPLIRSA-N 2 2 291.399 0.283 20 0 CCADLP CC(C)Cn1cc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cn1 ZINC000576479174 335209911 /nfs/dbraw/zinc/20/99/11/335209911.db2.gz BLXAEIHBNHAKSS-KGLIPLIRSA-N 2 2 291.399 0.283 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000576834939 335253916 /nfs/dbraw/zinc/25/39/16/335253916.db2.gz WWKRGOQEVHVZCW-HOTGVXAUSA-N 2 2 299.459 0.343 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000576834939 335253917 /nfs/dbraw/zinc/25/39/17/335253917.db2.gz WWKRGOQEVHVZCW-HOTGVXAUSA-N 2 2 299.459 0.343 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000576834939 335253919 /nfs/dbraw/zinc/25/39/19/335253919.db2.gz WWKRGOQEVHVZCW-HOTGVXAUSA-N 2 2 299.459 0.343 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000576834939 335253921 /nfs/dbraw/zinc/25/39/21/335253921.db2.gz WWKRGOQEVHVZCW-HOTGVXAUSA-N 2 2 299.459 0.343 20 0 CCADLP C[C@H]1C[NH2+]CCN1C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000576988080 335274147 /nfs/dbraw/zinc/27/41/47/335274147.db2.gz BFBPOACPPDJVDQ-JTQLQIEISA-N 2 2 272.312 0.096 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3cc(O)cc(F)c3)CCN2C1=O ZINC000580570766 335285310 /nfs/dbraw/zinc/28/53/10/335285310.db2.gz LINLRHWGTKHOLL-AAEUAGOBSA-N 2 2 279.315 0.275 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3cc(O)cc(F)c3)CCN2C1=O ZINC000580570766 335285312 /nfs/dbraw/zinc/28/53/12/335285312.db2.gz LINLRHWGTKHOLL-AAEUAGOBSA-N 2 2 279.315 0.275 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCSC[C@@H]1C[NH+](C)CCO1 ZINC000580563220 335286570 /nfs/dbraw/zinc/28/65/70/335286570.db2.gz IKPNSFDRMCLBBZ-OLZOCXBDSA-N 2 2 274.430 0.771 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCSC[C@@H]1C[NH+](C)CCO1 ZINC000580563220 335286572 /nfs/dbraw/zinc/28/65/72/335286572.db2.gz IKPNSFDRMCLBBZ-OLZOCXBDSA-N 2 2 274.430 0.771 20 0 CCADLP C[C@@H]1COCC[NH+]1CCSC[C@@H]1C[N@H+](C)CCO1 ZINC000580563220 335286574 /nfs/dbraw/zinc/28/65/74/335286574.db2.gz IKPNSFDRMCLBBZ-OLZOCXBDSA-N 2 2 274.430 0.771 20 0 CCADLP C[C@@H]1COCC[NH+]1CCSC[C@@H]1C[N@@H+](C)CCO1 ZINC000580563220 335286575 /nfs/dbraw/zinc/28/65/75/335286575.db2.gz IKPNSFDRMCLBBZ-OLZOCXBDSA-N 2 2 274.430 0.771 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCc2cscn2)[C@H](C[NH3+])C1 ZINC000577060898 335293066 /nfs/dbraw/zinc/29/30/66/335293066.db2.gz YILGDKPVEQVHNG-LLVKDONJSA-N 2 2 268.386 0.177 20 0 CCADLP C[N@H+]1CCN(C(=O)CCc2cscn2)[C@H](C[NH3+])C1 ZINC000577060898 335293067 /nfs/dbraw/zinc/29/30/67/335293067.db2.gz YILGDKPVEQVHNG-LLVKDONJSA-N 2 2 268.386 0.177 20 0 CCADLP O=C(NC[C@H]1CCC[NH2+]1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000580660854 335315842 /nfs/dbraw/zinc/31/58/42/335315842.db2.gz WDTXDBUBTALWOA-SNVBAGLBSA-N 2 2 287.323 0.141 20 0 CCADLP COCc1noc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000577178832 335317299 /nfs/dbraw/zinc/31/72/99/335317299.db2.gz NOMULIBBPFEAIY-GARJFASQSA-N 2 2 266.345 0.775 20 0 CCADLP COCc1noc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000577178832 335317300 /nfs/dbraw/zinc/31/73/00/335317300.db2.gz NOMULIBBPFEAIY-GARJFASQSA-N 2 2 266.345 0.775 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+][C@H]2CCn3cc[nH+]c3C2)no1 ZINC000577276211 335333437 /nfs/dbraw/zinc/33/34/37/335333437.db2.gz WRQKBKHSJLDYPW-NSHDSACASA-N 2 2 289.339 0.535 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC2CCCCC2)[C@@H](C[NH3+])C1 ZINC000577591893 335374828 /nfs/dbraw/zinc/37/48/28/335374828.db2.gz IZLQDPMCZXQYCC-ZDUSSCGKSA-N 2 2 268.405 0.851 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC2CCCCC2)[C@@H](C[NH3+])C1 ZINC000577591893 335374829 /nfs/dbraw/zinc/37/48/29/335374829.db2.gz IZLQDPMCZXQYCC-ZDUSSCGKSA-N 2 2 268.405 0.851 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2CCOC[C@H]2C)C[C@@H](C)O1 ZINC000578301000 335596714 /nfs/dbraw/zinc/59/67/14/335596714.db2.gz PBTBMOGZKIXNAS-KJWHEZOQSA-N 2 2 286.416 0.471 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000578354912 335618822 /nfs/dbraw/zinc/61/88/22/335618822.db2.gz NEQPEHRVZMOMDR-NXEZZACHSA-N 2 2 253.350 0.828 20 0 CCADLP C[C@H]1CCN(c2nc3c(cnn3C)c(N)[nH+]2)C[C@@H]1C[NH3+] ZINC000578851577 335680360 /nfs/dbraw/zinc/68/03/60/335680360.db2.gz QTEDSVQFPOPICQ-IUCAKERBSA-N 2 2 275.360 0.367 20 0 CCADLP [NH3+]CCC1CCN(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000579479234 335769959 /nfs/dbraw/zinc/76/99/59/335769959.db2.gz SJEMVSZPPJVESD-UHFFFAOYSA-N 2 2 284.404 0.089 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+][C@@H]2CCCC[C@H]2O)C[C@@H](C)O1 ZINC000579712818 335871104 /nfs/dbraw/zinc/87/11/04/335871104.db2.gz WVBWIEMTGFIFOZ-UXXRCYHCSA-N 2 2 286.416 0.350 20 0 CCADLP Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@H](C[NH3+])C3)C2=O)n(C)n1 ZINC000581133809 336013545 /nfs/dbraw/zinc/01/35/45/336013545.db2.gz FLBBRMNVESCBDR-OLZOCXBDSA-N 2 2 291.399 0.505 20 0 CCADLP Cc1cc(N2CC[C@H]([N@H+]3CCC[C@H](C[NH3+])C3)C2=O)n(C)n1 ZINC000581133809 336013546 /nfs/dbraw/zinc/01/35/46/336013546.db2.gz FLBBRMNVESCBDR-OLZOCXBDSA-N 2 2 291.399 0.505 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CN2CCOCC2)C1 ZINC000581318519 336047971 /nfs/dbraw/zinc/04/79/71/336047971.db2.gz WWKRGOQEVHVZCW-CVEARBPZSA-N 2 2 299.459 0.343 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CN2CCOCC2)C1 ZINC000581318519 336047973 /nfs/dbraw/zinc/04/79/73/336047973.db2.gz WWKRGOQEVHVZCW-CVEARBPZSA-N 2 2 299.459 0.343 20 0 CCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000581367940 336062160 /nfs/dbraw/zinc/06/21/60/336062160.db2.gz BTLVBFZKXJMRNC-JQWIXIFHSA-N 2 2 258.325 0.949 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](C)C[C@H]1C[NH3+] ZINC000581656600 336118690 /nfs/dbraw/zinc/11/86/90/336118690.db2.gz RVNJJOPZFXPRQA-ZIAGYGMSSA-N 3 2 297.447 0.145 20 0 CCADLP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000581656600 336118692 /nfs/dbraw/zinc/11/86/92/336118692.db2.gz RVNJJOPZFXPRQA-ZIAGYGMSSA-N 3 2 297.447 0.145 20 0 CCADLP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000581656600 336118693 /nfs/dbraw/zinc/11/86/93/336118693.db2.gz RVNJJOPZFXPRQA-ZIAGYGMSSA-N 3 2 297.447 0.145 20 0 CCADLP C[C@H](CC(=O)N[C@@H](CC[NH3+])C(F)F)n1cc[nH+]c1 ZINC000581674210 336126430 /nfs/dbraw/zinc/12/64/30/336126430.db2.gz VOMXZLNPBRHJDS-BDAKNGLRSA-N 2 2 260.288 0.933 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@H]2CC3CCC2CC3)[C@@H](C[NH3+])C1 ZINC000581874297 336156045 /nfs/dbraw/zinc/15/60/45/336156045.db2.gz DSDIRXTYGHQRKY-HOAMVYINSA-N 2 2 280.416 0.849 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCc2ccc(O)c(F)c2)[C@@H](C[NH3+])C1 ZINC000581873965 336156152 /nfs/dbraw/zinc/15/61/52/336156152.db2.gz WEDZWRAMSWBLCB-NSHDSACASA-N 2 2 296.346 0.316 20 0 CCADLP C[N@H+]1CCN(C(=O)NCc2ccc(O)c(F)c2)[C@@H](C[NH3+])C1 ZINC000581873965 336156153 /nfs/dbraw/zinc/15/61/53/336156153.db2.gz WEDZWRAMSWBLCB-NSHDSACASA-N 2 2 296.346 0.316 20 0 CCADLP C[C@@H](C(=O)N1CCCCC1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000385880312 336159303 /nfs/dbraw/zinc/15/93/03/336159303.db2.gz QDNXPBOABJOWBZ-GJZGRUSLSA-N 2 2 294.443 0.367 20 0 CCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000353436062 519685539 /nfs/dbraw/zinc/68/55/39/519685539.db2.gz UVPXWQWAMXCALA-NSHDSACASA-N 2 2 266.345 0.477 20 0 CCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000353436062 519685542 /nfs/dbraw/zinc/68/55/42/519685542.db2.gz UVPXWQWAMXCALA-NSHDSACASA-N 2 2 266.345 0.477 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000416440083 545093722 /nfs/dbraw/zinc/09/37/22/545093722.db2.gz RNOSKWPJNYANGN-WOPDTQHZSA-N 2 2 265.361 0.841 20 0 CCADLP CC(C)CN1C[C@@H]2C[N@H+](CCC[NH3+])CCN2C1=O ZINC000414767822 545093274 /nfs/dbraw/zinc/09/32/74/545093274.db2.gz UAJXZEIZSKLHPD-LBPRGKRZSA-N 2 2 254.378 0.413 20 0 CCADLP CC(C)CN1C[C@@H]2C[N@@H+](CCC[NH3+])CCN2C1=O ZINC000414767822 545093275 /nfs/dbraw/zinc/09/32/75/545093275.db2.gz UAJXZEIZSKLHPD-LBPRGKRZSA-N 2 2 254.378 0.413 20 0 CCADLP COc1ccccc1/C=C/C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000493108591 533942469 /nfs/dbraw/zinc/94/24/69/533942469.db2.gz SNMQKJOVRXWFJT-HSBSLETESA-N 2 2 289.379 0.810 20 0 CCADLP COc1ccccc1/C=C/C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000493108591 533942482 /nfs/dbraw/zinc/94/24/82/533942482.db2.gz SNMQKJOVRXWFJT-HSBSLETESA-N 2 2 289.379 0.810 20 0 CCADLP C[C@@H](CNC(=O)c1ccnc(C[NH3+])c1)Cn1cc[nH+]c1 ZINC000361612704 534046669 /nfs/dbraw/zinc/04/66/69/534046669.db2.gz XROJCUIKWLEZND-NSHDSACASA-N 2 2 273.340 0.803 20 0 CCADLP C[C@H](CNC(=O)C[C@@H]1CCCC[C@H]1[NH3+])[NH+]1CCOCC1 ZINC000449319174 534075967 /nfs/dbraw/zinc/07/59/67/534075967.db2.gz JDZJLYQWGIFOPS-HZSPNIEDSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]1CN(C(=O)/C=C\c2[nH]cc[nH+]2)C[C@H](C)[N@H+]1CCO ZINC000493115909 534277304 /nfs/dbraw/zinc/27/73/04/534277304.db2.gz JAJUVMOHGPESFE-XVGAQQEPSA-N 2 2 278.356 0.336 20 0 CCADLP C[C@@H]1CN(C(=O)/C=C\c2[nH]cc[nH+]2)C[C@H](C)[N@@H+]1CCO ZINC000493115909 534277306 /nfs/dbraw/zinc/27/73/06/534277306.db2.gz JAJUVMOHGPESFE-XVGAQQEPSA-N 2 2 278.356 0.336 20 0 CCADLP CC(C)(C(=O)NCCCC[NH+]1CCOCC1)c1c[nH]c[nH+]1 ZINC000346211155 534328058 /nfs/dbraw/zinc/32/80/58/534328058.db2.gz YRHPIDHFKGBCLP-UHFFFAOYSA-N 2 2 294.399 0.916 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)NCc1c[nH+]cn1C ZINC000357762036 519620514 /nfs/dbraw/zinc/62/05/14/519620514.db2.gz OJAUFBFJWOTURB-UHFFFAOYSA-N 2 2 253.350 0.560 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)NCc1c[nH+]cn1C ZINC000357762036 519620518 /nfs/dbraw/zinc/62/05/18/519620518.db2.gz OJAUFBFJWOTURB-UHFFFAOYSA-N 2 2 253.350 0.560 20 0 CCADLP CC(=O)NCCC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000340708192 519657456 /nfs/dbraw/zinc/65/74/56/519657456.db2.gz DVLPBJFCMAQPIA-UHFFFAOYSA-N 2 2 265.361 0.068 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000377635541 519680062 /nfs/dbraw/zinc/68/00/62/519680062.db2.gz WGBXRINCPPKTOH-AWEZNQCLSA-N 2 2 283.416 0.648 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000377635541 519680068 /nfs/dbraw/zinc/68/00/68/519680068.db2.gz WGBXRINCPPKTOH-AWEZNQCLSA-N 2 2 283.416 0.648 20 0 CCADLP CC(C)COC[C@@H](O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000340711112 519756211 /nfs/dbraw/zinc/75/62/11/519756211.db2.gz KGAFICYXCQTVDM-AWEZNQCLSA-N 2 2 296.415 0.576 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366571584 519885112 /nfs/dbraw/zinc/88/51/12/519885112.db2.gz XUVRGBYFABUJKC-CQSZACIVSA-N 2 2 282.388 0.250 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366571584 519885114 /nfs/dbraw/zinc/88/51/14/519885114.db2.gz XUVRGBYFABUJKC-CQSZACIVSA-N 2 2 282.388 0.250 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366571584 519885116 /nfs/dbraw/zinc/88/51/16/519885116.db2.gz XUVRGBYFABUJKC-CQSZACIVSA-N 2 2 282.388 0.250 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366571584 519885117 /nfs/dbraw/zinc/88/51/17/519885117.db2.gz XUVRGBYFABUJKC-CQSZACIVSA-N 2 2 282.388 0.250 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365651570 521740960 /nfs/dbraw/zinc/74/09/60/521740960.db2.gz WPHLRFYEBSUUNV-LLVKDONJSA-N 2 2 293.371 0.445 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365651570 521740961 /nfs/dbraw/zinc/74/09/61/521740961.db2.gz WPHLRFYEBSUUNV-LLVKDONJSA-N 2 2 293.371 0.445 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000155635042 521951493 /nfs/dbraw/zinc/95/14/93/521951493.db2.gz QEQLNUHRZOMBPV-SRVKXCTJSA-N 2 2 257.378 0.197 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000370635851 522634205 /nfs/dbraw/zinc/63/42/05/522634205.db2.gz RABRJSWHJYPWRX-ZFWWWQNUSA-N 2 2 297.399 0.932 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000365147876 523879846 /nfs/dbraw/zinc/87/98/46/523879846.db2.gz DONNANDWKAWNTH-AWEZNQCLSA-N 2 2 281.400 0.404 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000365147876 523879850 /nfs/dbraw/zinc/87/98/50/523879850.db2.gz DONNANDWKAWNTH-AWEZNQCLSA-N 2 2 281.400 0.404 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCO[C@@H]3C[C@@H]32)CC1 ZINC000368143426 524039489 /nfs/dbraw/zinc/03/94/89/524039489.db2.gz CXJVTNDELBEXAA-UONOGXRCSA-N 2 2 296.415 0.195 20 0 CCADLP Cc1nc(N2CCN(C(=O)N[C@H](C)CC[NH3+])CC2)cc[nH+]1 ZINC000418565557 534754559 /nfs/dbraw/zinc/75/45/59/534754559.db2.gz VKBXKBUSFCPXOH-LLVKDONJSA-N 2 2 292.387 0.354 20 0 CCADLP C[C@H]1C[N@H+](CCn2cc[nH+]c2)C[C@]2(CCOC2)O1 ZINC000366581951 524605099 /nfs/dbraw/zinc/60/50/99/524605099.db2.gz BKFHQBNPBVJKTH-STQMWFEESA-N 2 2 251.330 0.763 20 0 CCADLP C[C@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@]2(CCOC2)O1 ZINC000366581951 524605107 /nfs/dbraw/zinc/60/51/07/524605107.db2.gz BKFHQBNPBVJKTH-STQMWFEESA-N 2 2 251.330 0.763 20 0 CCADLP CC(C)(C)OC(=O)NCCNC(=[NH2+])NCCn1cc[nH+]c1 ZINC000496581865 534887158 /nfs/dbraw/zinc/88/71/58/534887158.db2.gz IRPFHOFJLNMSEQ-UHFFFAOYSA-N 2 2 296.375 0.522 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)C1([NH3+])CCOCC1 ZINC000261750756 534909592 /nfs/dbraw/zinc/90/95/92/534909592.db2.gz FEJHNBUPBWERAO-UHFFFAOYSA-N 2 2 280.372 0.663 20 0 CCADLP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000332890338 536430567 /nfs/dbraw/zinc/43/05/67/536430567.db2.gz JIMKEHGOJVDQDC-NEPJUHHUSA-N 2 2 291.399 0.860 20 0 CCADLP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000332890338 536430571 /nfs/dbraw/zinc/43/05/71/536430571.db2.gz JIMKEHGOJVDQDC-NEPJUHHUSA-N 2 2 291.399 0.860 20 0 CCADLP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000332890338 536430573 /nfs/dbraw/zinc/43/05/73/536430573.db2.gz JIMKEHGOJVDQDC-NEPJUHHUSA-N 2 2 291.399 0.860 20 0 CCADLP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000332890338 536430574 /nfs/dbraw/zinc/43/05/74/536430574.db2.gz JIMKEHGOJVDQDC-NEPJUHHUSA-N 2 2 291.399 0.860 20 0 CCADLP CC[N@@H+]1CCN(c2nc[nH+]c3c2OCCN3)C[C@@H]1C ZINC000665708679 545104562 /nfs/dbraw/zinc/10/45/62/545104562.db2.gz BUNCJIRGSJZIKE-JTQLQIEISA-N 2 2 263.345 0.811 20 0 CCADLP CC[N@H+]1CCN(c2nc[nH+]c3c2OCCN3)C[C@@H]1C ZINC000665708679 545104563 /nfs/dbraw/zinc/10/45/63/545104563.db2.gz BUNCJIRGSJZIKE-JTQLQIEISA-N 2 2 263.345 0.811 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccon1 ZINC000666518549 545124728 /nfs/dbraw/zinc/12/47/28/545124728.db2.gz KIZVJHZIZCJWMY-UHFFFAOYSA-N 2 2 269.349 0.680 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccon1 ZINC000666518549 545124729 /nfs/dbraw/zinc/12/47/29/545124729.db2.gz KIZVJHZIZCJWMY-UHFFFAOYSA-N 2 2 269.349 0.680 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000667861823 545157680 /nfs/dbraw/zinc/15/76/80/545157680.db2.gz DKCUESXHDTWALP-MGPQQGTHSA-N 2 2 253.390 0.389 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000667861823 545157681 /nfs/dbraw/zinc/15/76/81/545157681.db2.gz DKCUESXHDTWALP-MGPQQGTHSA-N 2 2 253.390 0.389 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000668163411 545165837 /nfs/dbraw/zinc/16/58/37/545165837.db2.gz SVGJDQOKBJBPFY-NWDGAFQWSA-N 2 2 265.361 0.713 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]2C[NH+](C)C[C@@H]2C1 ZINC000357114217 527506010 /nfs/dbraw/zinc/50/60/10/527506010.db2.gz IEKQYDHDRMOHFH-VXGBXAGGSA-N 2 2 262.357 0.373 20 0 CCADLP Cc1[nH+]cc(C[NH+]2CCC3(CNC(=O)N3C)CC2)n1C ZINC000668251628 545169465 /nfs/dbraw/zinc/16/94/65/545169465.db2.gz 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/nfs/dbraw/zinc/65/58/70/527655870.db2.gz CXNIVQWVTRJUJR-QWRGUYRKSA-N 2 2 250.350 0.126 20 0 CCADLP Cn1nnnc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000363755060 527655874 /nfs/dbraw/zinc/65/58/74/527655874.db2.gz CXNIVQWVTRJUJR-QWRGUYRKSA-N 2 2 250.350 0.126 20 0 CCADLP Cn1nnnc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000363755060 527655875 /nfs/dbraw/zinc/65/58/75/527655875.db2.gz CXNIVQWVTRJUJR-QWRGUYRKSA-N 2 2 250.350 0.126 20 0 CCADLP OCC1(CO)CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668663425 545185756 /nfs/dbraw/zinc/18/57/56/545185756.db2.gz ISOUARUQKXYROW-UHFFFAOYSA-N 2 2 288.351 0.444 20 0 CCADLP OCC1(CO)CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668663425 545185757 /nfs/dbraw/zinc/18/57/57/545185757.db2.gz ISOUARUQKXYROW-UHFFFAOYSA-N 2 2 288.351 0.444 20 0 CCADLP CC1(C)OCC[C@H]1[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000453285998 527812759 /nfs/dbraw/zinc/81/27/59/527812759.db2.gz ILOLJLUBKYPWFL-CHWSQXEVSA-N 2 2 256.390 0.990 20 0 CCADLP CC1(C)OCC[C@H]1[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000453285998 527812765 /nfs/dbraw/zinc/81/27/65/527812765.db2.gz ILOLJLUBKYPWFL-CHWSQXEVSA-N 2 2 256.390 0.990 20 0 CCADLP CC1(C)[C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)[C@@H]2CCCO[C@@H]21 ZINC000423572619 527869365 /nfs/dbraw/zinc/86/93/65/527869365.db2.gz OINYMRQCOIPVRC-RVMXOQNASA-N 2 2 254.374 0.768 20 0 CCADLP CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C1COC1 ZINC000451281603 527904872 /nfs/dbraw/zinc/90/48/72/527904872.db2.gz BNEPHDFDYKLEHV-UHFFFAOYSA-N 2 2 283.416 0.696 20 0 CCADLP CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C1COC1 ZINC000451281603 527904874 /nfs/dbraw/zinc/90/48/74/527904874.db2.gz BNEPHDFDYKLEHV-UHFFFAOYSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H](CNC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)[NH+]1CCOCC1 ZINC000669283169 545204333 /nfs/dbraw/zinc/20/43/33/545204333.db2.gz CKHHZXJTBBWXSQ-MCIONIFRSA-N 2 2 296.415 0.101 20 0 CCADLP Cc1cccc(CCNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000669432355 545208028 /nfs/dbraw/zinc/20/80/28/545208028.db2.gz MIPCTKKNYXGRCF-OAHLLOKOSA-N 2 2 290.411 0.822 20 0 CCADLP Cc1cccc(CCNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000669432355 545208029 /nfs/dbraw/zinc/20/80/29/545208029.db2.gz MIPCTKKNYXGRCF-OAHLLOKOSA-N 2 2 290.411 0.822 20 0 CCADLP CCn1c[nH+]cc1CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000669502146 545211069 /nfs/dbraw/zinc/21/10/69/545211069.db2.gz HRJIFYBQQPSOPE-HUUCEWRRSA-N 2 2 278.400 0.934 20 0 CCADLP CN(CCC[NH3+])C(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000669511880 545211503 /nfs/dbraw/zinc/21/15/03/545211503.db2.gz LHASSZCMMHDWQO-NSHDSACASA-N 2 2 257.284 0.772 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC000428140339 528228066 /nfs/dbraw/zinc/22/80/66/528228066.db2.gz FRAMCHXVGJSUEN-KBPBESRZSA-N 2 2 283.416 0.386 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC000428140339 528228067 /nfs/dbraw/zinc/22/80/67/528228067.db2.gz FRAMCHXVGJSUEN-KBPBESRZSA-N 2 2 283.416 0.386 20 0 CCADLP CCC[NH+]1CCC[C@H]1C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000428140339 528228072 /nfs/dbraw/zinc/22/80/72/528228072.db2.gz FRAMCHXVGJSUEN-KBPBESRZSA-N 2 2 283.416 0.386 20 0 CCADLP CCC[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000428140339 528228076 /nfs/dbraw/zinc/22/80/76/528228076.db2.gz FRAMCHXVGJSUEN-KBPBESRZSA-N 2 2 283.416 0.386 20 0 CCADLP CCn1c[nH+]cc1CN1CC[N@H+](CCO)C(C)(C)C1 ZINC000669559527 545214717 /nfs/dbraw/zinc/21/47/17/545214717.db2.gz UCXXKYIYMJRGLR-UHFFFAOYSA-N 2 2 266.389 0.792 20 0 CCADLP CCn1c[nH+]cc1CN1CC[N@@H+](CCO)C(C)(C)C1 ZINC000669559527 545214718 /nfs/dbraw/zinc/21/47/18/545214718.db2.gz UCXXKYIYMJRGLR-UHFFFAOYSA-N 2 2 266.389 0.792 20 0 CCADLP CC(C)C[C@@H](C[NH3+])NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000418244236 528305370 /nfs/dbraw/zinc/30/53/70/528305370.db2.gz SEWOOPNXSWKONE-MNOVXSKESA-N 2 2 279.388 0.940 20 0 CCADLP CC(C)C[C@@H](C[NH3+])NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000418244236 528305376 /nfs/dbraw/zinc/30/53/76/528305376.db2.gz SEWOOPNXSWKONE-MNOVXSKESA-N 2 2 279.388 0.940 20 0 CCADLP Cc1ccc(CCC[NH2+]C2CC(NS(C)(=O)=O)C2)c[nH+]1 ZINC000670271635 545231564 /nfs/dbraw/zinc/23/15/64/545231564.db2.gz AGGIFRHIYGLMNL-UHFFFAOYSA-N 2 2 297.424 0.992 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000423685070 528475070 /nfs/dbraw/zinc/47/50/70/528475070.db2.gz IKURTJPYTOBTLD-RRFJBIMHSA-N 2 2 295.427 0.698 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000423685070 528475074 /nfs/dbraw/zinc/47/50/74/528475074.db2.gz IKURTJPYTOBTLD-RRFJBIMHSA-N 2 2 295.427 0.698 20 0 CCADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000422899484 528506918 /nfs/dbraw/zinc/50/69/18/528506918.db2.gz OQJQQAOBQWQXGM-KGLIPLIRSA-N 2 2 284.448 0.454 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000418393319 528516781 /nfs/dbraw/zinc/51/67/81/528516781.db2.gz XNYIOQLVEDWZCY-LBPRGKRZSA-N 2 2 267.377 0.898 20 0 CCADLP CC(C)n1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cn1 ZINC000358168070 528566083 /nfs/dbraw/zinc/56/60/83/528566083.db2.gz PYTWIGOWCYDIHL-CYBMUJFWSA-N 2 2 252.362 0.620 20 0 CCADLP CC(C)n1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cn1 ZINC000358168070 528566086 /nfs/dbraw/zinc/56/60/86/528566086.db2.gz PYTWIGOWCYDIHL-CYBMUJFWSA-N 2 2 252.362 0.620 20 0 CCADLP O=C(C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)NCC1CC1 ZINC000670986562 545241446 /nfs/dbraw/zinc/24/14/46/545241446.db2.gz VPUQOJAJPQNCKP-HNNXBMFYSA-N 2 2 295.427 0.699 20 0 CCADLP O=C(C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)NCC1CC1 ZINC000670986562 545241447 /nfs/dbraw/zinc/24/14/47/545241447.db2.gz VPUQOJAJPQNCKP-HNNXBMFYSA-N 2 2 295.427 0.699 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430559016 528595942 /nfs/dbraw/zinc/59/59/42/528595942.db2.gz WRJHTXPUHAKOMH-UONOGXRCSA-N 2 2 285.432 0.979 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430559016 528595944 /nfs/dbraw/zinc/59/59/44/528595944.db2.gz WRJHTXPUHAKOMH-UONOGXRCSA-N 2 2 285.432 0.979 20 0 CCADLP CC[N@H+](C[C@@H](C)OC)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000361561487 528653385 /nfs/dbraw/zinc/65/33/85/528653385.db2.gz AFZIKGYADDMVBS-ZIAGYGMSSA-N 2 2 285.432 0.896 20 0 CCADLP CC[N@@H+](C[C@@H](C)OC)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000361561487 528653393 /nfs/dbraw/zinc/65/33/93/528653393.db2.gz AFZIKGYADDMVBS-ZIAGYGMSSA-N 2 2 285.432 0.896 20 0 CCADLP CC(C)[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C[C@H]1CCC(=O)N1 ZINC000412087911 528919348 /nfs/dbraw/zinc/91/93/48/528919348.db2.gz SAQYIVLCCFNQKZ-OCCSQVGLSA-N 2 2 283.416 0.431 20 0 CCADLP CC(C)[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C[C@H]1CCC(=O)N1 ZINC000412087911 528919351 /nfs/dbraw/zinc/91/93/51/528919351.db2.gz SAQYIVLCCFNQKZ-OCCSQVGLSA-N 2 2 283.416 0.431 20 0 CCADLP CC(C)[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C[C@H]1CCC(=O)N1 ZINC000412087911 528919356 /nfs/dbraw/zinc/91/93/56/528919356.db2.gz SAQYIVLCCFNQKZ-OCCSQVGLSA-N 2 2 283.416 0.431 20 0 CCADLP CC(C)[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C[C@H]1CCC(=O)N1 ZINC000412087911 528919361 /nfs/dbraw/zinc/91/93/61/528919361.db2.gz SAQYIVLCCFNQKZ-OCCSQVGLSA-N 2 2 283.416 0.431 20 0 CCADLP CCCC[C@H](C[NH3+])NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418451351 528941629 /nfs/dbraw/zinc/94/16/29/528941629.db2.gz VWBDDFXBYRNRNE-MCIONIFRSA-N 2 2 298.431 0.666 20 0 CCADLP CCCC[C@H](C[NH3+])NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418451351 528941632 /nfs/dbraw/zinc/94/16/32/528941632.db2.gz VWBDDFXBYRNRNE-MCIONIFRSA-N 2 2 298.431 0.666 20 0 CCADLP COCC[N@@H+]1CCC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000672870194 545274282 /nfs/dbraw/zinc/27/42/82/545274282.db2.gz RCTABHOGBJRGIN-LBPRGKRZSA-N 2 2 280.372 0.569 20 0 CCADLP COCC[N@H+]1CCC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000672870194 545274283 /nfs/dbraw/zinc/27/42/83/545274283.db2.gz RCTABHOGBJRGIN-LBPRGKRZSA-N 2 2 280.372 0.569 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000418393308 529054677 /nfs/dbraw/zinc/05/46/77/529054677.db2.gz XNYIOQLVEDWZCY-GFCCVEGCSA-N 2 2 267.377 0.898 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH3+] ZINC000423641209 529126508 /nfs/dbraw/zinc/12/65/08/529126508.db2.gz WJVAHIHNNWUTPG-ZDUSSCGKSA-N 2 2 298.431 0.173 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCCC[C@H]1CC[NH3+] ZINC000423641209 529126509 /nfs/dbraw/zinc/12/65/09/529126509.db2.gz WJVAHIHNNWUTPG-ZDUSSCGKSA-N 2 2 298.431 0.173 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428032945 529136152 /nfs/dbraw/zinc/13/61/52/529136152.db2.gz AEKIKVHJUSIFBF-SRVKXCTJSA-N 2 2 282.388 0.293 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428032945 529136153 /nfs/dbraw/zinc/13/61/53/529136153.db2.gz AEKIKVHJUSIFBF-SRVKXCTJSA-N 2 2 282.388 0.293 20 0 CCADLP CC[C@@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)[C@@H]1CCC[NH2+]1 ZINC000423026713 529176941 /nfs/dbraw/zinc/17/69/41/529176941.db2.gz NQWPBUHCXQVMCD-KFWWJZLASA-N 2 2 267.417 0.970 20 0 CCADLP Cc1ncoc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673838517 545293447 /nfs/dbraw/zinc/29/34/47/545293447.db2.gz OLYBDVVBHNGZAF-GFCCVEGCSA-N 2 2 292.383 0.881 20 0 CCADLP Cc1ncoc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673838517 545293448 /nfs/dbraw/zinc/29/34/48/545293448.db2.gz OLYBDVVBHNGZAF-GFCCVEGCSA-N 2 2 292.383 0.881 20 0 CCADLP O=C(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)N1CCCCCC1 ZINC000673894186 545294436 /nfs/dbraw/zinc/29/44/36/545294436.db2.gz ANROKGDFTDCDPR-UHFFFAOYSA-N 2 2 291.399 0.934 20 0 CCADLP CC[C@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000423877329 529278591 /nfs/dbraw/zinc/27/85/91/529278591.db2.gz OWYXWGXRXJZZGQ-SOUVJXGZSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+](C)[C@@]1(C[NH2+]C[C@@H]2CNc3ccnn3C2)CCSC1 ZINC000673931561 545296323 /nfs/dbraw/zinc/29/63/23/545296323.db2.gz HZYODDNMZJYYGQ-TZMCWYRMSA-N 2 2 295.456 0.952 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)NC[C@@H](C)[NH2+]C)CCO1 ZINC000418628328 529292665 /nfs/dbraw/zinc/29/26/65/529292665.db2.gz OUEARDFXDVCMBS-NEPJUHHUSA-N 2 2 272.393 0.004 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)NC[C@@H](C)[NH2+]C)CCO1 ZINC000418628328 529292667 /nfs/dbraw/zinc/29/26/67/529292667.db2.gz OUEARDFXDVCMBS-NEPJUHHUSA-N 2 2 272.393 0.004 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)NCCC[NH2+]C)CCO1 ZINC000418281328 529293183 /nfs/dbraw/zinc/29/31/83/529293183.db2.gz USCNSXBOZYCQBU-LBPRGKRZSA-N 2 2 272.393 0.006 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)NCCC[NH2+]C)CCO1 ZINC000418281328 529293185 /nfs/dbraw/zinc/29/31/85/529293185.db2.gz USCNSXBOZYCQBU-LBPRGKRZSA-N 2 2 272.393 0.006 20 0 CCADLP CC[C@@H](C)[NH+]1CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000456540373 529354651 /nfs/dbraw/zinc/35/46/51/529354651.db2.gz ZQTOXDBSBSRSBO-CABCVRRESA-N 2 2 296.459 0.565 20 0 CCADLP CC[C@@H]1CN(C(=O)C[NH2+]CC2CC2)C[C@H]1[NH+]1CCOCC1 ZINC000423875313 529362943 /nfs/dbraw/zinc/36/29/43/529362943.db2.gz MPWAADFFJSIEIP-HUUCEWRRSA-N 2 2 295.427 0.555 20 0 CCADLP O=C1CCC(=O)N1CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000674373051 545305195 /nfs/dbraw/zinc/30/51/95/545305195.db2.gz VDURKSJJQNPBGL-UHFFFAOYSA-N 2 2 276.340 0.738 20 0 CCADLP CC(C)n1cc(C[NH2+]CCC[NH+]2CCC(O)CC2)nn1 ZINC000342123067 535060743 /nfs/dbraw/zinc/06/07/43/535060743.db2.gz NGZRYYGXCULKRV-UHFFFAOYSA-N 2 2 281.404 0.795 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC000517326904 535113419 /nfs/dbraw/zinc/11/34/19/535113419.db2.gz RFTIHRIDKCBDNI-GJZGRUSLSA-N 2 2 296.415 0.190 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC000517326904 535113424 /nfs/dbraw/zinc/11/34/24/535113424.db2.gz RFTIHRIDKCBDNI-GJZGRUSLSA-N 2 2 296.415 0.190 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000675103642 545321693 /nfs/dbraw/zinc/32/16/93/545321693.db2.gz ZKNDMEDMFCDBTQ-BZPMIXESSA-N 2 2 275.400 0.997 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000675103642 545321694 /nfs/dbraw/zinc/32/16/94/545321694.db2.gz ZKNDMEDMFCDBTQ-BZPMIXESSA-N 2 2 275.400 0.997 20 0 CCADLP CCc1ccc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)o1 ZINC000675472990 545326820 /nfs/dbraw/zinc/32/68/20/545326820.db2.gz MOEYYBJPQSZJDL-UHFFFAOYSA-N 2 2 265.357 0.706 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000347294223 535363824 /nfs/dbraw/zinc/36/38/24/535363824.db2.gz VSPBOOOWVYLXMT-AWEZNQCLSA-N 2 2 295.427 0.842 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000347294223 535363828 /nfs/dbraw/zinc/36/38/28/535363828.db2.gz VSPBOOOWVYLXMT-AWEZNQCLSA-N 2 2 295.427 0.842 20 0 CCADLP Cc1nc(NC[C@H](C2CC2)[NH+](C)C)nc(N(C)C)[nH+]1 ZINC000675720619 545330718 /nfs/dbraw/zinc/33/07/18/545330718.db2.gz DWMZIFIMNBWHTN-LLVKDONJSA-N 2 2 264.377 0.998 20 0 CCADLP CC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cnn(C)c1 ZINC000675782841 545331401 /nfs/dbraw/zinc/33/14/01/545331401.db2.gz ZJCCBRMTGWWQJV-CYBMUJFWSA-N 2 2 279.388 0.235 20 0 CCADLP C[C@@H](NC(=O)NCCCn1cc[nH+]c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676233935 545337460 /nfs/dbraw/zinc/33/74/60/545337460.db2.gz RUGLUNXRNYWMCE-OLZOCXBDSA-N 2 2 295.387 0.292 20 0 CCADLP C[C@@H](NC(=O)NCCCn1cc[nH+]c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676233935 545337461 /nfs/dbraw/zinc/33/74/61/545337461.db2.gz RUGLUNXRNYWMCE-OLZOCXBDSA-N 2 2 295.387 0.292 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676390619 545343141 /nfs/dbraw/zinc/34/31/41/545343141.db2.gz ZZSKVQYCJAFIMS-CABCVRRESA-N 2 2 295.427 0.794 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676390619 545343142 /nfs/dbraw/zinc/34/31/42/545343142.db2.gz ZZSKVQYCJAFIMS-CABCVRRESA-N 2 2 295.427 0.794 20 0 CCADLP CN(C(=O)c1nc[nH]n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000676527267 545345356 /nfs/dbraw/zinc/34/53/56/545345356.db2.gz DFAODKBMFMNJFE-LBPRGKRZSA-N 2 2 292.387 0.045 20 0 CCADLP CN(C(=O)c1nc[nH]n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000676527267 545345357 /nfs/dbraw/zinc/34/53/57/545345357.db2.gz DFAODKBMFMNJFE-LBPRGKRZSA-N 2 2 292.387 0.045 20 0 CCADLP O=S1(=O)CCCN1CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000676558232 545346054 /nfs/dbraw/zinc/34/60/54/545346054.db2.gz IAUJOWXBROOWQP-CYBMUJFWSA-N 2 2 298.412 0.556 20 0 CCADLP O=S1(=O)CCCN1CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000676558232 545346055 /nfs/dbraw/zinc/34/60/55/545346055.db2.gz IAUJOWXBROOWQP-CYBMUJFWSA-N 2 2 298.412 0.556 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCO[C@H](C3CC3)C2)CC1 ZINC000362562921 535637450 /nfs/dbraw/zinc/63/74/50/535637450.db2.gz VGDFGFNKUHZFES-ZFWWWQNUSA-N 2 2 295.427 0.650 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCO[C@H](C3CC3)C2)CC1 ZINC000362562921 535637453 /nfs/dbraw/zinc/63/74/53/535637453.db2.gz VGDFGFNKUHZFES-ZFWWWQNUSA-N 2 2 295.427 0.650 20 0 CCADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CC2(O)CCOCC2)C1 ZINC000676700793 545349408 /nfs/dbraw/zinc/34/94/08/545349408.db2.gz DEXRGENIEVUVFI-CYBMUJFWSA-N 2 2 256.390 0.990 20 0 CCADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CC2(O)CCOCC2)C1 ZINC000676700793 545349409 /nfs/dbraw/zinc/34/94/09/545349409.db2.gz DEXRGENIEVUVFI-CYBMUJFWSA-N 2 2 256.390 0.990 20 0 CCADLP CCN1CC[NH+](CCCC[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000343304347 535693190 /nfs/dbraw/zinc/69/31/90/535693190.db2.gz OKTCDOOYDBNNBA-HZPDHXFCSA-N 3 2 282.476 0.944 20 0 CCADLP CCN1CC[NH+](CCCC[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000343304347 535693194 /nfs/dbraw/zinc/69/31/94/535693194.db2.gz OKTCDOOYDBNNBA-HZPDHXFCSA-N 3 2 282.476 0.944 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H]3CCOC3)C2)CC1 ZINC000676924217 545355435 /nfs/dbraw/zinc/35/54/35/545355435.db2.gz DOUHGCCUPOCKIG-OLZOCXBDSA-N 2 2 296.415 0.243 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H]3CCOC3)C2)CC1 ZINC000676924217 545355436 /nfs/dbraw/zinc/35/54/36/545355436.db2.gz DOUHGCCUPOCKIG-OLZOCXBDSA-N 2 2 296.415 0.243 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CCOC3)C2)CC1 ZINC000676924218 545355456 /nfs/dbraw/zinc/35/54/56/545355456.db2.gz DOUHGCCUPOCKIG-STQMWFEESA-N 2 2 296.415 0.243 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CCOC3)C2)CC1 ZINC000676924218 545355457 /nfs/dbraw/zinc/35/54/57/545355457.db2.gz DOUHGCCUPOCKIG-STQMWFEESA-N 2 2 296.415 0.243 20 0 CCADLP CC[NH+]1CCN(CC(=O)N2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC000677185388 545360342 /nfs/dbraw/zinc/36/03/42/545360342.db2.gz ZAFKLUFINMRCBU-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP CC[NH+]1CCN(CC(=O)N2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC000677185388 545360343 /nfs/dbraw/zinc/36/03/43/545360343.db2.gz ZAFKLUFINMRCBU-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP C[NH+](C)CCNC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000372365283 535884308 /nfs/dbraw/zinc/88/43/08/535884308.db2.gz JSKCJIQQCWTCEV-UHFFFAOYSA-N 2 2 288.355 0.628 20 0 CCADLP O[C@H]1CCC[C@H]1[NH+]1CCN(CCn2cc[nH+]c2)CC1 ZINC000677984245 545380052 /nfs/dbraw/zinc/38/00/52/545380052.db2.gz RINLBPFZIHUWPV-KGLIPLIRSA-N 2 2 264.373 0.414 20 0 CCADLP CCc1cnccc1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000517019904 536085788 /nfs/dbraw/zinc/08/57/88/536085788.db2.gz YUKXUFQVLJTGRW-CQSZACIVSA-N 2 2 291.399 0.428 20 0 CCADLP CCc1cnccc1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000517019904 536085793 /nfs/dbraw/zinc/08/57/93/536085793.db2.gz YUKXUFQVLJTGRW-CQSZACIVSA-N 2 2 291.399 0.428 20 0 CCADLP Cn1c[nH+]cc1CN1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678080689 545383636 /nfs/dbraw/zinc/38/36/36/545383636.db2.gz FNWYPQDTEGQMTD-AWEZNQCLSA-N 2 2 291.399 0.334 20 0 CCADLP Cn1c[nH+]cc1CN1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678080689 545383637 /nfs/dbraw/zinc/38/36/37/545383637.db2.gz FNWYPQDTEGQMTD-AWEZNQCLSA-N 2 2 291.399 0.334 20 0 CCADLP CN(Cc1cn(C)nn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000678719059 545396926 /nfs/dbraw/zinc/39/69/26/545396926.db2.gz HARUCBKLQMQQEQ-HNNXBMFYSA-N 2 2 292.431 0.415 20 0 CCADLP CN(Cc1cn(C)nn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000678719059 545396927 /nfs/dbraw/zinc/39/69/27/545396927.db2.gz HARUCBKLQMQQEQ-HNNXBMFYSA-N 2 2 292.431 0.415 20 0 CCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC000516222983 536378150 /nfs/dbraw/zinc/37/81/50/536378150.db2.gz HBPRKARXCREYLS-OLZOCXBDSA-N 2 2 262.357 0.826 20 0 CCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC000516222983 536378153 /nfs/dbraw/zinc/37/81/53/536378153.db2.gz HBPRKARXCREYLS-OLZOCXBDSA-N 2 2 262.357 0.826 20 0 CCADLP C[NH2+][C@H](C(=O)N[C@@H](C)Cn1cc[nH+]c1)c1cnn(C)c1 ZINC000262370257 536385534 /nfs/dbraw/zinc/38/55/34/536385534.db2.gz LPXWFDNSIUCJFW-JQWIXIFHSA-N 2 2 276.344 0.082 20 0 CCADLP c1cn(CCN2CC[NH+](C[C@@H]3CCCO3)CC2)c[nH+]1 ZINC000679115082 545402206 /nfs/dbraw/zinc/40/22/06/545402206.db2.gz LTTOKPXPIPNDQT-AWEZNQCLSA-N 2 2 264.373 0.680 20 0 CCADLP COC[C@@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000262241278 536657815 /nfs/dbraw/zinc/65/78/15/536657815.db2.gz HSRLURGJQFSWBE-UKRRQHHQSA-N 2 2 291.395 0.693 20 0 CCADLP COC[C@@H]([NH3+])C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000262241278 536657818 /nfs/dbraw/zinc/65/78/18/536657818.db2.gz HSRLURGJQFSWBE-UKRRQHHQSA-N 2 2 291.395 0.693 20 0 CCADLP CC[NH+]1CCN(CC(=O)N2CCn3cc(C)[nH+]c3C2)CC1 ZINC000679907764 545418409 /nfs/dbraw/zinc/41/84/09/545418409.db2.gz CJVULKFQDOAHTJ-UHFFFAOYSA-N 2 2 291.399 0.171 20 0 CCADLP COCCn1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000427112982 536843845 /nfs/dbraw/zinc/84/38/45/536843845.db2.gz GNOOIPAUZWKOEF-ZIAGYGMSSA-N 2 2 264.373 0.713 20 0 CCADLP COCCn1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000427112982 536843847 /nfs/dbraw/zinc/84/38/47/536843847.db2.gz GNOOIPAUZWKOEF-ZIAGYGMSSA-N 2 2 264.373 0.713 20 0 CCADLP COCCC1(C)C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000357437755 536853654 /nfs/dbraw/zinc/85/36/54/536853654.db2.gz KXRNMMXXYVAIIZ-ZDUSSCGKSA-N 2 2 256.390 0.800 20 0 CCADLP COCCC1(C)C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000357437755 536853660 /nfs/dbraw/zinc/85/36/60/536853660.db2.gz KXRNMMXXYVAIIZ-ZDUSSCGKSA-N 2 2 256.390 0.800 20 0 CCADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)C(F)(F)F)CC2)C1 ZINC000680866156 545436690 /nfs/dbraw/zinc/43/66/90/545436690.db2.gz MYVYRHRADRMXOJ-NEPJUHHUSA-N 2 2 295.349 0.621 20 0 CCADLP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)C(F)(F)F)CC2)C1 ZINC000680866156 545436691 /nfs/dbraw/zinc/43/66/91/545436691.db2.gz MYVYRHRADRMXOJ-NEPJUHHUSA-N 2 2 295.349 0.621 20 0 CCADLP Cc1cc(N2CC[NH+](CC(=O)N(C)C)CC2)cc[nH+]1 ZINC000681372271 545452027 /nfs/dbraw/zinc/45/20/27/545452027.db2.gz HDTLKPWMJUWXFJ-UHFFFAOYSA-N 2 2 262.357 0.600 20 0 CCADLP C[NH+](C)CCCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682498452 545480869 /nfs/dbraw/zinc/48/08/69/545480869.db2.gz CPMLNAZYGZXCJW-LBPRGKRZSA-N 2 2 264.373 0.904 20 0 CCADLP CC[C@H]1C[N@H+](C)CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000684822787 545742759 /nfs/dbraw/zinc/74/27/59/545742759.db2.gz OBWCSMIRMHTANC-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000684822787 545742764 /nfs/dbraw/zinc/74/27/64/545742764.db2.gz OBWCSMIRMHTANC-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@H]1C[NH+](C)CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000684822787 545742767 /nfs/dbraw/zinc/74/27/67/545742767.db2.gz OBWCSMIRMHTANC-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@H]1C[NH+](C)CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000684822787 545742771 /nfs/dbraw/zinc/74/27/71/545742771.db2.gz OBWCSMIRMHTANC-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP Cn1cncc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685434887 545817406 /nfs/dbraw/zinc/81/74/06/545817406.db2.gz BRKCJGTYFQPJSH-GFCCVEGCSA-N 2 2 291.399 0.318 20 0 CCADLP Cn1cncc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685434887 545817411 /nfs/dbraw/zinc/81/74/11/545817411.db2.gz BRKCJGTYFQPJSH-GFCCVEGCSA-N 2 2 291.399 0.318 20 0 CCADLP CN1CC(=O)N([C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000777652432 581128545 /nfs/dbraw/zinc/12/85/45/581128545.db2.gz MMOWQXGLOICXRM-LBPRGKRZSA-N 2 2 280.372 0.049 20 0 CCADLP CN1CC(=O)N([C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000777652432 581128546 /nfs/dbraw/zinc/12/85/46/581128546.db2.gz MMOWQXGLOICXRM-LBPRGKRZSA-N 2 2 280.372 0.049 20 0 CCADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000776102546 581180277 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/nfs/dbraw/zinc/31/24/41/581312441.db2.gz SDTXPUAVHZGOFS-CVEARBPZSA-N 2 2 295.427 0.857 20 0 CCADLP COC[C@]1(C)CC(=O)N(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC000793769109 581312443 /nfs/dbraw/zinc/31/24/43/581312443.db2.gz SDTXPUAVHZGOFS-CVEARBPZSA-N 2 2 295.427 0.857 20 0 CCADLP C[C@@H]1CCOCC[N@@H+]1CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783990612 581369920 /nfs/dbraw/zinc/36/99/20/581369920.db2.gz BENSKTUISJLZOY-OLZOCXBDSA-N 2 2 292.383 0.804 20 0 CCADLP C[C@@H]1CCOCC[N@H+]1CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783990612 581369921 /nfs/dbraw/zinc/36/99/21/581369921.db2.gz BENSKTUISJLZOY-OLZOCXBDSA-N 2 2 292.383 0.804 20 0 CCADLP C[NH+](C)C[C@@H](O)CNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000766391713 581564594 /nfs/dbraw/zinc/56/45/94/581564594.db2.gz ITOXIIYYCMRRNJ-JTQLQIEISA-N 2 2 292.387 0.916 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2ccoc2)C1 ZINC000729683858 581610641 /nfs/dbraw/zinc/61/06/41/581610641.db2.gz DCLICEKTULBNOC-ZDUSSCGKSA-N 2 2 265.357 0.957 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2ccoc2)C1 ZINC000729683858 581610643 /nfs/dbraw/zinc/61/06/43/581610643.db2.gz DCLICEKTULBNOC-ZDUSSCGKSA-N 2 2 265.357 0.957 20 0 CCADLP CC(C)C(=O)NCC[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000767776284 581629942 /nfs/dbraw/zinc/62/99/42/581629942.db2.gz QJLZQMIPROROMY-ZDUSSCGKSA-N 2 2 271.405 0.147 20 0 CCADLP CC(C)C(=O)NCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000767776284 581629944 /nfs/dbraw/zinc/62/99/44/581629944.db2.gz QJLZQMIPROROMY-ZDUSSCGKSA-N 2 2 271.405 0.147 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CCC2OCCO2)CC1 ZINC000767812866 581632202 /nfs/dbraw/zinc/63/22/02/581632202.db2.gz XRLXBBWMMQCUSL-CYBMUJFWSA-N 2 2 297.399 0.164 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CCC2OCCO2)CC1 ZINC000767812866 581632204 /nfs/dbraw/zinc/63/22/04/581632204.db2.gz XRLXBBWMMQCUSL-CYBMUJFWSA-N 2 2 297.399 0.164 20 0 CCADLP CNC(=S)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000755400103 581638731 /nfs/dbraw/zinc/63/87/31/581638731.db2.gz XVGFONWVDVZFCL-FUNVUKJBSA-N 2 2 282.457 0.734 20 0 CCADLP CNC(=S)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000755400103 581638734 /nfs/dbraw/zinc/63/87/34/581638734.db2.gz XVGFONWVDVZFCL-FUNVUKJBSA-N 2 2 282.457 0.734 20 0 CCADLP C[C@@H](NC(=S)NCCC[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000769797635 581706919 /nfs/dbraw/zinc/70/69/19/581706919.db2.gz YGZFFQJFSCYYSW-NEPJUHHUSA-N 2 2 288.461 0.121 20 0 CCADLP C[C@@H](NC(=S)NCCC[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000769797635 581706923 /nfs/dbraw/zinc/70/69/23/581706923.db2.gz YGZFFQJFSCYYSW-NEPJUHHUSA-N 2 2 288.461 0.121 20 0 CCADLP C(C[NH+]1CCCC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000760841771 581875303 /nfs/dbraw/zinc/87/53/03/581875303.db2.gz SFADIPQKLUSOKB-HNNXBMFYSA-N 2 2 267.417 0.879 20 0 CCADLP OCC[NH+]1CCN(c2nc(N3CCCC3)cc[nH+]2)CC1 ZINC000733185507 581888612 /nfs/dbraw/zinc/88/86/12/581888612.db2.gz UVEWSMNFEWYSMU-UHFFFAOYSA-N 2 2 277.372 0.191 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CN1CCCC1=O ZINC000746655009 581921614 /nfs/dbraw/zinc/92/16/14/581921614.db2.gz ZJGYEDIWXMXUGZ-RDBSUJKOSA-N 2 2 281.400 0.750 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CN1CCCC1=O ZINC000746655009 581921616 /nfs/dbraw/zinc/92/16/16/581921616.db2.gz ZJGYEDIWXMXUGZ-RDBSUJKOSA-N 2 2 281.400 0.750 20 0 CCADLP CON(C)C(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000774689952 581988699 /nfs/dbraw/zinc/98/86/99/581988699.db2.gz AZRRVCQZZNCQOV-VXGBXAGGSA-N 2 2 266.345 0.786 20 0 CCADLP CON(C)C(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000774689952 581988702 /nfs/dbraw/zinc/98/87/02/581988702.db2.gz AZRRVCQZZNCQOV-VXGBXAGGSA-N 2 2 266.345 0.786 20 0 CCADLP C[C@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1C ZINC000749255834 582001242 /nfs/dbraw/zinc/00/12/42/582001242.db2.gz FQOBPVJTYFLMDI-RYUDHWBXSA-N 2 2 262.357 0.608 20 0 CCADLP C[C@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC[N@H+]1C ZINC000749255834 582001245 /nfs/dbraw/zinc/00/12/45/582001245.db2.gz FQOBPVJTYFLMDI-RYUDHWBXSA-N 2 2 262.357 0.608 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1C ZINC000749255831 582001275 /nfs/dbraw/zinc/00/12/75/582001275.db2.gz FQOBPVJTYFLMDI-NEPJUHHUSA-N 2 2 262.357 0.608 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC[N@H+]1C ZINC000749255831 582001278 /nfs/dbraw/zinc/00/12/78/582001278.db2.gz FQOBPVJTYFLMDI-NEPJUHHUSA-N 2 2 262.357 0.608 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+](C[C@@H]2CC3(CC3)C(=O)O2)CC1 ZINC000763685738 582007476 /nfs/dbraw/zinc/00/74/76/582007476.db2.gz GHNBJACFBDRIHY-AWEZNQCLSA-N 2 2 296.411 0.861 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+](C[C@@H]2CC3(CC3)C(=O)O2)CC1 ZINC000763685738 582007479 /nfs/dbraw/zinc/00/74/79/582007479.db2.gz GHNBJACFBDRIHY-AWEZNQCLSA-N 2 2 296.411 0.861 20 0 CCADLP COCC1=CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000775825327 582041901 /nfs/dbraw/zinc/04/19/01/582041901.db2.gz ATEXMGQNJHYDOX-AWEZNQCLSA-N 2 2 254.374 0.722 20 0 CCADLP COCC1=CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000775825327 582041905 /nfs/dbraw/zinc/04/19/05/582041905.db2.gz ATEXMGQNJHYDOX-AWEZNQCLSA-N 2 2 254.374 0.722 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000751775960 582092481 /nfs/dbraw/zinc/09/24/81/582092481.db2.gz KNJLSGXDNAMLQS-CYBMUJFWSA-N 2 2 279.388 0.441 20 0 CCADLP CC[NH2+]CC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000843493365 615077070 /nfs/dbraw/zinc/07/70/70/615077070.db2.gz KRVUEOIJWCFBTE-TXEJJXNPSA-N 2 2 257.378 0.164 20 0 CCADLP CC[NH2+]CC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000843493365 615077072 /nfs/dbraw/zinc/07/70/72/615077072.db2.gz KRVUEOIJWCFBTE-TXEJJXNPSA-N 2 2 257.378 0.164 20 0 CCADLP CCS(=O)(=O)NCCC[N@@H+]1CC[NH2+]CCC1(C)C ZINC000866697229 615343674 /nfs/dbraw/zinc/34/36/74/615343674.db2.gz JSVBGWVPHAHAOE-UHFFFAOYSA-N 2 2 277.434 0.390 20 0 CCADLP CCS(=O)(=O)NCCC[N@H+]1CC[NH2+]CCC1(C)C ZINC000866697229 615343676 /nfs/dbraw/zinc/34/36/76/615343676.db2.gz JSVBGWVPHAHAOE-UHFFFAOYSA-N 2 2 277.434 0.390 20 0 CCADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCCNS(C)(=O)=O)c1ccccc1 ZINC000925517192 617177400 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CC(C)N1CC[NH+](CCCC(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000928554587 614361309 /nfs/dbraw/zinc/36/13/09/614361309.db2.gz LAJLCNOUBWTYHP-HNNXBMFYSA-N 2 2 296.459 0.613 20 0 CCADLP CC(C)N1CC[NH+](CCCC(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000928554587 614361311 /nfs/dbraw/zinc/36/13/11/614361311.db2.gz LAJLCNOUBWTYHP-HNNXBMFYSA-N 2 2 296.459 0.613 20 0 CCADLP CS[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH+](C)C ZINC000901230846 617268865 /nfs/dbraw/zinc/26/88/65/617268865.db2.gz SFOCCMVFSQRYCN-GHMZBOCLSA-N 2 2 268.386 0.456 20 0 CCADLP C(C[NH+]1CCOCC1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923536528 613225305 /nfs/dbraw/zinc/22/53/05/613225305.db2.gz PFHDBHITDVPDHJ-AWEZNQCLSA-N 2 2 253.390 0.537 20 0 CCADLP C(CN[C@@H]1CC[NH2+]C12CCC2)C[NH+]1CCOCC1 ZINC000903471139 613225443 /nfs/dbraw/zinc/22/54/43/613225443.db2.gz QBFCXBSIKVIIDQ-CYBMUJFWSA-N 2 2 253.390 0.583 20 0 CCADLP C1CC1[C@@H]([NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)[C@@H]1C[NH2+]CCO1 ZINC000873238676 613230436 /nfs/dbraw/zinc/23/04/36/613230436.db2.gz DYZHEQUYSGZNSU-UAQNWJKASA-N 2 2 278.396 0.766 20 0 CCADLP C/C(=C/C(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C)C[NH+]1CCOCC1 ZINC000908412581 613232887 /nfs/dbraw/zinc/23/28/87/613232887.db2.gz FRQSAOYHVISMED-QNCSTDJMSA-N 2 2 295.427 0.816 20 0 CCADLP C/C(=C/C(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C)C[NH+]1CCOCC1 ZINC000901287478 613234554 /nfs/dbraw/zinc/23/45/54/613234554.db2.gz QCWIHXGGLRYJDY-FVIMBVCGSA-N 2 2 295.427 0.816 20 0 CCADLP C/C(=C/C(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C)C[NH+]1CCOCC1 ZINC000901287478 613234558 /nfs/dbraw/zinc/23/45/58/613234558.db2.gz QCWIHXGGLRYJDY-FVIMBVCGSA-N 2 2 295.427 0.816 20 0 CCADLP C/C(=C/C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)C[NH+]1CCOCC1 ZINC000900834206 613239326 /nfs/dbraw/zinc/23/93/26/613239326.db2.gz ZEHUCFXSEJRUQR-TZNPFNDMSA-N 2 2 295.427 0.864 20 0 CCADLP C/C(=C/C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)C[NH+]1CCOCC1 ZINC000900834206 613239328 /nfs/dbraw/zinc/23/93/28/613239328.db2.gz ZEHUCFXSEJRUQR-TZNPFNDMSA-N 2 2 295.427 0.864 20 0 CCADLP C/C(=C\C(=O)NC[C@@H](C1CC1)[NH+](C)C)C[NH+]1CCOCC1 ZINC000900283452 613256511 /nfs/dbraw/zinc/25/65/11/613256511.db2.gz RRZJFHYLDRQBMN-VOMSXAGXSA-N 2 2 295.427 0.721 20 0 CCADLP C/C(=C\C(=O)NC[C@@H]1CCC[N@@H+](C)C1)C[NH+]1CCOCC1 ZINC000900631112 613256755 /nfs/dbraw/zinc/25/67/55/613256755.db2.gz VTKJLXBJQWEHBR-IPJDOKCGSA-N 2 2 295.427 0.723 20 0 CCADLP C/C(=C\C(=O)NC[C@@H]1CCC[N@H+](C)C1)C[NH+]1CCOCC1 ZINC000900631112 613256758 /nfs/dbraw/zinc/25/67/58/613256758.db2.gz VTKJLXBJQWEHBR-IPJDOKCGSA-N 2 2 295.427 0.723 20 0 CCADLP CC(C)(C)[NH2+]CCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000821387478 613954703 /nfs/dbraw/zinc/95/47/03/613954703.db2.gz ZUYBOQKAOZIKKF-SNVBAGLBSA-N 2 2 250.346 0.702 20 0 CCADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[NH+](C)CC1 ZINC000809936473 614127385 /nfs/dbraw/zinc/12/73/85/614127385.db2.gz BRHIXQIDIVGUOA-CQSZACIVSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)([NH2+]C[C@@H]([NH3+])CC(F)F)C(=O)N1CCCC1 ZINC000903954325 614170266 /nfs/dbraw/zinc/17/02/66/614170266.db2.gz QOYFYABYLIPHEU-VIFPVBQESA-N 2 2 263.332 0.960 20 0 CCADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]CCC[C@H]2CCO2)C1 ZINC000877665424 614192072 /nfs/dbraw/zinc/19/20/72/614192072.db2.gz VAIAEVMFYFXABY-STQMWFEESA-N 2 2 256.390 0.990 20 0 CCADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]CCC[C@H]2CCO2)C1 ZINC000877665424 614192073 /nfs/dbraw/zinc/19/20/73/614192073.db2.gz VAIAEVMFYFXABY-STQMWFEESA-N 2 2 256.390 0.990 20 0 CCADLP CC(C)[C@H](CNC(=[NH2+])N[C@@H]1C[C@H]1C)[NH+]1CCOCC1 ZINC000864450010 614208197 /nfs/dbraw/zinc/20/81/97/614208197.db2.gz CKGVWLXZADODKD-UPJWGTAASA-N 2 2 268.405 0.866 20 0 CCADLP CC(C)[C@H](CNC(=O)C[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000873893029 614208904 /nfs/dbraw/zinc/20/89/04/614208904.db2.gz SPLDMBSWLHYFHW-AWEZNQCLSA-N 2 2 283.416 0.555 20 0 CCADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC000843356158 614287589 /nfs/dbraw/zinc/28/75/89/614287589.db2.gz RZBKARGWMBVEAZ-YPMHNXCESA-N 2 2 257.378 0.197 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000825525865 614354958 /nfs/dbraw/zinc/35/49/58/614354958.db2.gz BXLCLWHAHWBAIG-NEPJUHHUSA-N 2 2 280.372 0.443 20 0 CCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000825525865 614354959 /nfs/dbraw/zinc/35/49/59/614354959.db2.gz BXLCLWHAHWBAIG-NEPJUHHUSA-N 2 2 280.372 0.443 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000948751719 614357343 /nfs/dbraw/zinc/35/73/43/614357343.db2.gz TZWDUZHDOMFYFG-CQSZACIVSA-N 2 2 293.415 0.366 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@@H+](C)C[C@@H](C)[NH3+])CC1 ZINC000863569320 614361890 /nfs/dbraw/zinc/36/18/90/614361890.db2.gz UWJJSHIJBKOEHV-CQSZACIVSA-N 3 2 256.438 0.682 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@H+](C)C[C@@H](C)[NH3+])CC1 ZINC000863569320 614361891 /nfs/dbraw/zinc/36/18/91/614361891.db2.gz UWJJSHIJBKOEHV-CQSZACIVSA-N 3 2 256.438 0.682 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000909440384 614371233 /nfs/dbraw/zinc/37/12/33/614371233.db2.gz UFYIGKUYTZCBDO-GFCCVEGCSA-N 2 2 250.346 0.893 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000909440384 614371235 /nfs/dbraw/zinc/37/12/35/614371235.db2.gz UFYIGKUYTZCBDO-GFCCVEGCSA-N 2 2 250.346 0.893 20 0 CCADLP CCCCNC(=O)CC[N@@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000923475665 614418222 /nfs/dbraw/zinc/41/82/22/614418222.db2.gz AGHFBDPOJTYDRI-CYBMUJFWSA-N 2 2 257.378 0.078 20 0 CCADLP CCCCNC(=O)CC[N@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000923475665 614418227 /nfs/dbraw/zinc/41/82/27/614418227.db2.gz AGHFBDPOJTYDRI-CYBMUJFWSA-N 2 2 257.378 0.078 20 0 CCADLP CCC[N@H+](C[C@H](O)COC[C@H]1CCCO1)[C@H]1CC[NH2+]C1 ZINC000923288020 614585542 /nfs/dbraw/zinc/58/55/42/614585542.db2.gz WWWOXUNKXYMOTE-SOUVJXGZSA-N 2 2 286.416 0.617 20 0 CCADLP CCC[N@@H+](C[C@H](O)COC[C@H]1CCCO1)[C@H]1CC[NH2+]C1 ZINC000923288020 614585546 /nfs/dbraw/zinc/58/55/46/614585546.db2.gz WWWOXUNKXYMOTE-SOUVJXGZSA-N 2 2 286.416 0.617 20 0 CCADLP CCN(C(=O)NCC[NH+]1CCO[C@H](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000853605684 614599278 /nfs/dbraw/zinc/59/92/78/614599278.db2.gz NXZSCRWCWYDORX-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP CCN(C(=O)NCC[NH+]1CCO[C@H](C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000853605684 614599281 /nfs/dbraw/zinc/59/92/81/614599281.db2.gz NXZSCRWCWYDORX-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP CCN(C(=O)NCC[N@@H+]1CCO[C@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000853605684 614599283 /nfs/dbraw/zinc/59/92/83/614599283.db2.gz NXZSCRWCWYDORX-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP CCN(C(=O)NCC[N@H+]1CCO[C@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000853605684 614599286 /nfs/dbraw/zinc/59/92/86/614599286.db2.gz NXZSCRWCWYDORX-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP CCN(C(=O)N[C@H](C)C[NH+]1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000891349819 614604695 /nfs/dbraw/zinc/60/46/95/614604695.db2.gz KFOPOMNDFRVHBX-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1C[NH+](CCOC)C1 ZINC000950360614 614626620 /nfs/dbraw/zinc/62/66/20/614626620.db2.gz XGNDOOSPVIYPQH-TZMCWYRMSA-N 2 2 283.416 0.506 20 0 CCADLP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](CCOC)C1 ZINC000950360614 614626622 /nfs/dbraw/zinc/62/66/22/614626622.db2.gz XGNDOOSPVIYPQH-TZMCWYRMSA-N 2 2 283.416 0.506 20 0 CCADLP CC1(C)C[N@H+](CCCO)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941062000 614636999 /nfs/dbraw/zinc/63/69/99/614636999.db2.gz UFTOODUROUQXBP-ZDUSSCGKSA-N 2 2 294.399 0.551 20 0 CCADLP CC1(C)C[N@@H+](CCCO)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941062000 614637003 /nfs/dbraw/zinc/63/70/03/614637003.db2.gz UFTOODUROUQXBP-ZDUSSCGKSA-N 2 2 294.399 0.551 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC000870877326 614655712 /nfs/dbraw/zinc/65/57/12/614655712.db2.gz OARCCHOKAVQNOS-JOCQHMNTSA-N 2 2 283.416 0.731 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC000870877326 614655715 /nfs/dbraw/zinc/65/57/15/614655715.db2.gz OARCCHOKAVQNOS-JOCQHMNTSA-N 2 2 283.416 0.731 20 0 CCADLP CC1(C)CNC(=O)[C@@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000924645338 614690957 /nfs/dbraw/zinc/69/09/57/614690957.db2.gz ILYYXMCGVGQNAJ-ZDUSSCGKSA-N 2 2 276.384 0.876 20 0 CCADLP CC1(C)COCCN1CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925478598 614719414 /nfs/dbraw/zinc/71/94/14/614719414.db2.gz OAVGDLIQHNKVST-CYBMUJFWSA-N 2 2 267.417 0.971 20 0 CCADLP CC1(C)C[C@@H](C[N@H+](CC[NH3+])C[C@H](O)CO)C(C)(C)O1 ZINC000883435232 614740108 /nfs/dbraw/zinc/74/01/08/614740108.db2.gz MYOVYBXUQBZFDX-RYUDHWBXSA-N 2 2 274.405 0.194 20 0 CCADLP CC1(C)C[C@@H](C[N@@H+](CC[NH3+])C[C@H](O)CO)C(C)(C)O1 ZINC000883435232 614740112 /nfs/dbraw/zinc/74/01/12/614740112.db2.gz MYOVYBXUQBZFDX-RYUDHWBXSA-N 2 2 274.405 0.194 20 0 CCADLP CC(C)(CC[NH2+][C@H]1CC[NH2+]C1(C)C)S(C)(=O)=O ZINC000925693432 614807511 /nfs/dbraw/zinc/80/75/11/614807511.db2.gz BVLBGGSOSPMVIA-JTQLQIEISA-N 2 2 262.419 0.930 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC([C@]2(C)COC(=O)N2)CC1 ZINC000932097575 614850230 /nfs/dbraw/zinc/85/02/30/614850230.db2.gz BNJRMJGKWKNATG-HIFRSBDPSA-N 2 2 299.415 0.510 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC([C@]2(C)COC(=O)N2)CC1 ZINC000932097575 614850232 /nfs/dbraw/zinc/85/02/32/614850232.db2.gz BNJRMJGKWKNATG-HIFRSBDPSA-N 2 2 299.415 0.510 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000884361648 614852546 /nfs/dbraw/zinc/85/25/46/614852546.db2.gz WTKJUBFYEONGBH-MCIONIFRSA-N 2 2 295.427 0.872 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000884361648 614852549 /nfs/dbraw/zinc/85/25/49/614852549.db2.gz WTKJUBFYEONGBH-MCIONIFRSA-N 2 2 295.427 0.872 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC2(CC1)OCCCO2 ZINC000846923227 614865974 /nfs/dbraw/zinc/86/59/74/614865974.db2.gz LOXNFLNFDUQZSW-ZDUSSCGKSA-N 2 2 272.389 0.528 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC2(CC1)OCCCO2 ZINC000846923227 614865976 /nfs/dbraw/zinc/86/59/76/614865976.db2.gz LOXNFLNFDUQZSW-ZDUSSCGKSA-N 2 2 272.389 0.528 20 0 CCADLP CCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000968871998 614892659 /nfs/dbraw/zinc/89/26/59/614892659.db2.gz KFPQWQLJJPHVDJ-GFCCVEGCSA-N 2 2 250.346 0.943 20 0 CCADLP CCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000968871998 614892660 /nfs/dbraw/zinc/89/26/60/614892660.db2.gz KFPQWQLJJPHVDJ-GFCCVEGCSA-N 2 2 250.346 0.943 20 0 CCADLP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](C)[C@@H](CO)C1 ZINC000913548769 614905243 /nfs/dbraw/zinc/90/52/43/614905243.db2.gz SORXNWJZTGTQRS-CQSZACIVSA-N 2 2 285.432 0.633 20 0 CCADLP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](C)[C@@H](CO)C1 ZINC000913548769 614905246 /nfs/dbraw/zinc/90/52/46/614905246.db2.gz SORXNWJZTGTQRS-CQSZACIVSA-N 2 2 285.432 0.633 20 0 CCADLP CCCCCC[NH+](C)CC(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913548769 614905251 /nfs/dbraw/zinc/90/52/51/614905251.db2.gz SORXNWJZTGTQRS-CQSZACIVSA-N 2 2 285.432 0.633 20 0 CCADLP CCCCCC[NH+](C)CC(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913548769 614905256 /nfs/dbraw/zinc/90/52/56/614905256.db2.gz SORXNWJZTGTQRS-CQSZACIVSA-N 2 2 285.432 0.633 20 0 CCADLP CCN(CC)C(=O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879590864 614966134 /nfs/dbraw/zinc/96/61/34/614966134.db2.gz MNMOLRTYZAMTHW-UHFFFAOYSA-N 2 2 296.459 0.567 20 0 CCADLP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000866192018 615013033 /nfs/dbraw/zinc/01/30/33/615013033.db2.gz WWZAOCHYWJWQRM-CMPLNLGQSA-N 2 2 266.345 0.386 20 0 CCADLP CCC[C@H](O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000932713612 615045503 /nfs/dbraw/zinc/04/55/03/615045503.db2.gz PGZUUJLKAOXHFY-AWEZNQCLSA-N 2 2 285.432 0.632 20 0 CCADLP CCC[C@H](O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000932713612 615045504 /nfs/dbraw/zinc/04/55/04/615045504.db2.gz PGZUUJLKAOXHFY-AWEZNQCLSA-N 2 2 285.432 0.632 20 0 CCADLP CCNC(=O)C[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887130998 615047972 /nfs/dbraw/zinc/04/79/72/615047972.db2.gz PGNAPYGIROEEAZ-GFCCVEGCSA-N 2 2 262.357 0.728 20 0 CCADLP CCNC(=O)C[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887130998 615047974 /nfs/dbraw/zinc/04/79/74/615047974.db2.gz PGNAPYGIROEEAZ-GFCCVEGCSA-N 2 2 262.357 0.728 20 0 CCADLP CCN(C(=O)c1cnn(CC[NH+](C)C)c1)C1C[NH+](CC)C1 ZINC000952441974 615085530 /nfs/dbraw/zinc/08/55/30/615085530.db2.gz SJFYFPNGQUFJGQ-UHFFFAOYSA-N 2 2 293.415 0.611 20 0 CCADLP CCNS(=O)(=O)[C@@H]1CC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904328326 615108062 /nfs/dbraw/zinc/10/80/62/615108062.db2.gz CORKMTPNRQQGFH-OLZOCXBDSA-N 2 2 289.445 0.390 20 0 CCADLP CCNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904328326 615108064 /nfs/dbraw/zinc/10/80/64/615108064.db2.gz CORKMTPNRQQGFH-OLZOCXBDSA-N 2 2 289.445 0.390 20 0 CCADLP CC[NH2+][C@@H](C)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC000979433238 615112084 /nfs/dbraw/zinc/11/20/84/615112084.db2.gz PFSLPKMKIYFFTE-WDEREUQCSA-N 2 2 266.345 0.178 20 0 CCADLP CC[NH2+][C@H](C)[C@H]1CN(C(=O)CCc2c[nH+]cn2C)CCO1 ZINC000979453634 615131156 /nfs/dbraw/zinc/13/11/56/615131156.db2.gz YAHKCNYXQSKRJN-TZMCWYRMSA-N 2 2 294.399 0.578 20 0 CCADLP CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)C1C[NH+](CC2CC2)C1 ZINC000957411021 615180407 /nfs/dbraw/zinc/18/04/07/615180407.db2.gz LCMHNTYJVCWDBB-HNNXBMFYSA-N 2 2 295.427 0.650 20 0 CCADLP CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)C1C[NH+](CC2CC2)C1 ZINC000957411021 615180409 /nfs/dbraw/zinc/18/04/09/615180409.db2.gz LCMHNTYJVCWDBB-HNNXBMFYSA-N 2 2 295.427 0.650 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)OCCn2cc[nH+]c2C)C1 ZINC000805472887 615185930 /nfs/dbraw/zinc/18/59/30/615185930.db2.gz PJBCSDAUDRTILV-LBPRGKRZSA-N 2 2 267.329 0.455 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)OCCn2cc[nH+]c2C)C1 ZINC000805472887 615185931 /nfs/dbraw/zinc/18/59/31/615185931.db2.gz PJBCSDAUDRTILV-LBPRGKRZSA-N 2 2 267.329 0.455 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000883274187 615249875 /nfs/dbraw/zinc/24/98/75/615249875.db2.gz AUEWOODSYMOUNY-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000883274187 615249877 /nfs/dbraw/zinc/24/98/77/615249877.db2.gz AUEWOODSYMOUNY-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH+]1CC[C@@H]1CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000883274187 615249878 /nfs/dbraw/zinc/24/98/78/615249878.db2.gz AUEWOODSYMOUNY-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH+]1CC[C@@H]1CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000883274187 615249879 /nfs/dbraw/zinc/24/98/79/615249879.db2.gz AUEWOODSYMOUNY-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000890055737 615253452 /nfs/dbraw/zinc/25/34/52/615253452.db2.gz FSBHCHPJVFNHQI-GHMZBOCLSA-N 2 2 263.345 0.201 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000890055737 615253454 /nfs/dbraw/zinc/25/34/54/615253454.db2.gz FSBHCHPJVFNHQI-GHMZBOCLSA-N 2 2 263.345 0.201 20 0 CCADLP CCOCCOCC[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000925875584 615282395 /nfs/dbraw/zinc/28/23/95/615282395.db2.gz UZYKWIWFNSLFMV-QWHCGFSZSA-N 2 2 260.378 0.396 20 0 CCADLP CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](C[C@H](O)C[NH+]3CCCC3)C[C@@H]21 ZINC000932064051 615391332 /nfs/dbraw/zinc/39/13/32/615391332.db2.gz VTRVDOQHBTUNET-APIJFGDWSA-N 2 2 296.411 0.574 20 0 CCADLP CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](C[C@H](O)C[NH+]3CCCC3)C[C@@H]21 ZINC000932064051 615391334 /nfs/dbraw/zinc/39/13/34/615391334.db2.gz VTRVDOQHBTUNET-APIJFGDWSA-N 2 2 296.411 0.574 20 0 CCADLP CC[N@@H+]1C[C@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC000901272447 615393013 /nfs/dbraw/zinc/39/30/13/615393013.db2.gz QQWOUZITMXLYJO-MNOVXSKESA-N 2 2 250.346 0.893 20 0 CCADLP CC[N@H+]1C[C@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC000901272447 615393017 /nfs/dbraw/zinc/39/30/17/615393017.db2.gz QQWOUZITMXLYJO-MNOVXSKESA-N 2 2 250.346 0.893 20 0 CCADLP CC[C@@H](C[NH+]1CCN(C(=O)Cn2c[nH+]cc2C)CC1)OC ZINC000949317837 615476031 /nfs/dbraw/zinc/47/60/31/615476031.db2.gz HONKGULMIJDRRD-AWEZNQCLSA-N 2 2 294.399 0.761 20 0 CCADLP CC[C@@H]([NH2+]CCN1CCC([NH3+])CC1)[C@H]1CCCC[NH2+]1 ZINC000925815891 615535638 /nfs/dbraw/zinc/53/56/38/615535638.db2.gz BPUXYPFWWMKMRB-HUUCEWRRSA-N 3 2 268.449 0.920 20 0 CCADLP CC[C@@H]1CN(C(=O)/C=C(/C)C[NH+]2CCOCC2)C[C@H](C)[NH2+]1 ZINC000912731382 615556468 /nfs/dbraw/zinc/55/64/68/615556468.db2.gz UXGCPVYCOPKAFT-PONMJGQJSA-N 2 2 295.427 0.864 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C[C@H](C)[NH2+]1 ZINC000869312239 615560441 /nfs/dbraw/zinc/56/04/41/615560441.db2.gz QFYQZZDLFACHKA-IQJOONFLSA-N 2 2 252.318 0.042 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000908442312 615562557 /nfs/dbraw/zinc/56/25/57/615562557.db2.gz DQONERSRVDLAHK-KGLIPLIRSA-N 2 2 281.400 0.260 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000908442312 615562558 /nfs/dbraw/zinc/56/25/58/615562558.db2.gz DQONERSRVDLAHK-KGLIPLIRSA-N 2 2 281.400 0.260 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C1([NH3+])CCCCC1 ZINC000877432133 615566794 /nfs/dbraw/zinc/56/67/94/615566794.db2.gz AWSGKVKXVWAWIK-CYBMUJFWSA-N 2 2 283.416 0.875 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C1([NH3+])CCCCC1 ZINC000877432133 615566795 /nfs/dbraw/zinc/56/67/95/615566795.db2.gz AWSGKVKXVWAWIK-CYBMUJFWSA-N 2 2 283.416 0.875 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N(CC)C2C[NH+](CCOC)C2)CC[N@@H+]1C ZINC000950367300 615584149 /nfs/dbraw/zinc/58/41/49/615584149.db2.gz CKQFUDHWIUPWEH-LSDHHAIUSA-N 2 2 297.443 0.896 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N(CC)C2C[NH+](CCOC)C2)CC[N@H+]1C ZINC000950367300 615584150 /nfs/dbraw/zinc/58/41/50/615584150.db2.gz CKQFUDHWIUPWEH-LSDHHAIUSA-N 2 2 297.443 0.896 20 0 CCADLP CC[C@H](C)NC(=[NH2+])NCC1([NH+]2CCOCC2)CCOCC1 ZINC000849040485 615672499 /nfs/dbraw/zinc/67/24/99/615672499.db2.gz XUQMVISILNJOSD-ZDUSSCGKSA-N 2 2 298.431 0.780 20 0 CCADLP CC[C@H](C)[C@@H](NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1)C(=O)OC ZINC000923514445 615684721 /nfs/dbraw/zinc/68/47/21/615684721.db2.gz RVXNFVVYTFGPAJ-FMCLSXCISA-N 2 2 299.415 0.217 20 0 CCADLP CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1)C(=O)OC ZINC000923514445 615684723 /nfs/dbraw/zinc/68/47/23/615684723.db2.gz RVXNFVVYTFGPAJ-FMCLSXCISA-N 2 2 299.415 0.217 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(Cc2[nH]c(C)[nH+]c2C)CC1 ZINC000929733388 615734242 /nfs/dbraw/zinc/73/42/42/615734242.db2.gz WBOQMLKXYLSBNZ-CYBMUJFWSA-N 2 2 266.389 0.915 20 0 CCADLP C[NH+](C)C1(C(=O)N2CC[NH+](CCCCCO)CC2)CC1 ZINC000913694348 615840782 /nfs/dbraw/zinc/84/07/82/615840782.db2.gz LUOXHZWNPISEMY-UHFFFAOYSA-N 2 2 283.416 0.387 20 0 CCADLP C[NH+](C)C1(CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000922988745 615847633 /nfs/dbraw/zinc/84/76/33/615847633.db2.gz VMKDAFOFUWFPAI-CYBMUJFWSA-N 2 2 296.415 0.197 20 0 CCADLP C[NH+](C)C1CC[NH+](C[C@@H]2CCC3(COC3)O2)CC1 ZINC000929263023 615856560 /nfs/dbraw/zinc/85/65/60/615856560.db2.gz MMNPGIWGGIUGIM-ZDUSSCGKSA-N 2 2 254.374 0.960 20 0 CCADLP C[NH+](C)C1CC[NH+](C[C@@](O)(C(N)=O)c2ccccc2)CC1 ZINC000851726002 615857204 /nfs/dbraw/zinc/85/72/04/615857204.db2.gz KPORKRNFNBXYRY-INIZCTEOSA-N 2 2 291.395 0.386 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H]2CCC3(CCC3)O2)CC1 ZINC000877959388 615863955 /nfs/dbraw/zinc/86/39/55/615863955.db2.gz VSTWGSXKJXKHDU-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928090395 615865855 /nfs/dbraw/zinc/86/58/55/615865855.db2.gz HVMWRNXHMKIIKV-MNOVXSKESA-N 2 2 257.403 0.244 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928090395 615865856 /nfs/dbraw/zinc/86/58/56/615865856.db2.gz HVMWRNXHMKIIKV-MNOVXSKESA-N 2 2 257.403 0.244 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876960763 615878376 /nfs/dbraw/zinc/87/83/76/615878376.db2.gz MKFPPMAADZMZGO-LZNQSLFOSA-N 3 2 296.459 0.542 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876960763 615878378 /nfs/dbraw/zinc/87/83/78/615878378.db2.gz MKFPPMAADZMZGO-LZNQSLFOSA-N 3 2 296.459 0.542 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CSC(F)F ZINC000855417588 615878749 /nfs/dbraw/zinc/87/87/49/615878749.db2.gz KRINKGUHOZQURX-UHFFFAOYSA-N 2 2 283.388 0.942 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CSC(F)F ZINC000855417588 615878750 /nfs/dbraw/zinc/87/87/50/615878750.db2.gz KRINKGUHOZQURX-UHFFFAOYSA-N 2 2 283.388 0.942 20 0 CCADLP Cn1c[nH+]cc1CNC(=S)NCCC[NH+](C)C ZINC000811701959 615883280 /nfs/dbraw/zinc/88/32/80/615883280.db2.gz SUOPMNOUDBEFAM-UHFFFAOYSA-N 2 2 255.391 0.336 20 0 CCADLP C[NH+](C)CCC[C@@H]1C[N@H+](CC[S@@](C)=O)CCO1 ZINC000852760716 615887454 /nfs/dbraw/zinc/88/74/54/615887454.db2.gz MJJOBTCGQISGBM-SJKOYZFVSA-N 2 2 262.419 0.408 20 0 CCADLP C[NH+](C)CCC[C@@H]1C[N@@H+](CC[S@@](C)=O)CCO1 ZINC000852760716 615887457 /nfs/dbraw/zinc/88/74/57/615887457.db2.gz MJJOBTCGQISGBM-SJKOYZFVSA-N 2 2 262.419 0.408 20 0 CCADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Cc1[nH]cc[nH+]1 ZINC000826544642 615895723 /nfs/dbraw/zinc/89/57/23/615895723.db2.gz SYBFAPPVUKQEBL-LBPRGKRZSA-N 2 2 280.372 0.521 20 0 CCADLP C[NH+](C)CCN(Cc1ccccn1)C(=O)Cc1[nH]cc[nH+]1 ZINC000826744743 615896784 /nfs/dbraw/zinc/89/67/84/615896784.db2.gz RFXQGDGBHOCQRB-UHFFFAOYSA-N 2 2 287.367 0.938 20 0 CCADLP C[NH+](C)CCN1CCC([NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925607310 615897393 /nfs/dbraw/zinc/89/73/93/615897393.db2.gz UWDVLVWWQFSYAI-HNNXBMFYSA-N 3 2 280.460 0.887 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1=O ZINC000878802239 615899650 /nfs/dbraw/zinc/89/96/50/615899650.db2.gz CDJNXGZWDPXKRD-ILXRZTDVSA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1=O ZINC000878802239 615899652 /nfs/dbraw/zinc/89/96/52/615899652.db2.gz CDJNXGZWDPXKRD-ILXRZTDVSA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+](C)CC[C@@H](N)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000870979763 615911396 /nfs/dbraw/zinc/91/13/96/615911396.db2.gz RIKPBDXAVZREJU-HUUCEWRRSA-N 2 2 290.411 0.568 20 0 CCADLP C[NH+](C)CC[C@@H](N)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000870979763 615911398 /nfs/dbraw/zinc/91/13/98/615911398.db2.gz RIKPBDXAVZREJU-HUUCEWRRSA-N 2 2 290.411 0.568 20 0 CCADLP C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000898068476 615912620 /nfs/dbraw/zinc/91/26/20/615912620.db2.gz NQIXYGZKMOUECN-OAHLLOKOSA-N 2 2 290.367 0.995 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CC(F)F ZINC000877435023 615927059 /nfs/dbraw/zinc/92/70/59/615927059.db2.gz XDCUJHVOVGJUNL-VHSXEESVSA-N 2 2 279.331 0.196 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H]([NH3+])CC(F)F ZINC000877435023 615927060 /nfs/dbraw/zinc/92/70/60/615927060.db2.gz XDCUJHVOVGJUNL-VHSXEESVSA-N 2 2 279.331 0.196 20 0 CCADLP C[NH+](C)C[C@H]1NC(=O)N(Cc2cn3c([nH+]2)CCCC3)C1=O ZINC000924574831 615949522 /nfs/dbraw/zinc/94/95/22/615949522.db2.gz GHBYGAYJJMRLGW-LLVKDONJSA-N 2 2 291.355 0.201 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825854450 615951674 /nfs/dbraw/zinc/95/16/74/615951674.db2.gz BEFAFFOBOHSROU-CQSZACIVSA-N 2 2 290.371 0.269 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N2CC[C@@H]([N@H+](C)CCF)C2)no1 ZINC000971833707 615953270 /nfs/dbraw/zinc/95/32/70/615953270.db2.gz ZSVWYMJULWIUCC-LLVKDONJSA-N 2 2 298.362 0.852 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N2CC[C@@H]([N@@H+](C)CCF)C2)no1 ZINC000971833707 615953271 /nfs/dbraw/zinc/95/32/71/615953271.db2.gz ZSVWYMJULWIUCC-LLVKDONJSA-N 2 2 298.362 0.852 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)/C=C\C[NH+]1CCOCC1)C1CC1 ZINC000864939651 615989338 /nfs/dbraw/zinc/98/93/38/615989338.db2.gz FGKJLQKUYMJVJT-VQTKUKTRSA-N 2 2 281.400 0.331 20 0 CCADLP C[NH+](C)[C@H](CNS(=O)(=O)C1C[NH2+]C1)c1ccsc1 ZINC000923581546 615991222 /nfs/dbraw/zinc/99/12/22/615991222.db2.gz JVTTTWXBPMHRJT-LLVKDONJSA-N 2 2 289.426 0.242 20 0 CCADLP CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+][C@@H]2CC[NH2+]C2(C)C)O1 ZINC000925628590 616000930 /nfs/dbraw/zinc/00/09/30/616000930.db2.gz DVPRTCLODAESHE-SDDRHHMPSA-N 2 2 269.389 0.352 20 0 CCADLP C[N@H+](CC1CC1)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972429280 616062584 /nfs/dbraw/zinc/06/25/84/616062584.db2.gz BPAGARGCLIUFDI-ZDUSSCGKSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@@H+](CC1CC1)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972429280 616062585 /nfs/dbraw/zinc/06/25/85/616062585.db2.gz BPAGARGCLIUFDI-ZDUSSCGKSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@H+](CCF)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000972552698 616079935 /nfs/dbraw/zinc/07/99/35/616079935.db2.gz SBXFGXODMBTEFR-ZDUSSCGKSA-N 2 2 287.379 0.211 20 0 CCADLP C[N@@H+](CCF)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000972552698 616079936 /nfs/dbraw/zinc/07/99/36/616079936.db2.gz SBXFGXODMBTEFR-ZDUSSCGKSA-N 2 2 287.379 0.211 20 0 CCADLP C[N@@H+](Cc1nnc2ccccn21)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000852745860 616110066 /nfs/dbraw/zinc/11/00/66/616110066.db2.gz CDGZQLGTFVUBKA-GFCCVEGCSA-N 2 2 287.367 0.682 20 0 CCADLP C[N@H+](Cc1nnc2ccccn21)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000852745860 616110067 /nfs/dbraw/zinc/11/00/67/616110067.db2.gz CDGZQLGTFVUBKA-GFCCVEGCSA-N 2 2 287.367 0.682 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H](O)Cc1ccccc1F)C1CC1 ZINC000905475552 616131594 /nfs/dbraw/zinc/13/15/94/616131594.db2.gz VEDABJSCZBJQEE-GJZGRUSLSA-N 2 2 296.386 0.774 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H](O)Cc1ccccc1F)C1CC1 ZINC000905475552 616131595 /nfs/dbraw/zinc/13/15/95/616131595.db2.gz VEDABJSCZBJQEE-GJZGRUSLSA-N 2 2 296.386 0.774 20 0 CCADLP C[N@H+](C[C@@H](O)CO)C1CC[NH+](CCc2ccccn2)CC1 ZINC000929799688 616131884 /nfs/dbraw/zinc/13/18/84/616131884.db2.gz ZCIAIZOUGSLBTH-MRXNPFEDSA-N 2 2 293.411 0.374 20 0 CCADLP C[N@@H+](C[C@@H](O)CO)C1CC[NH+](CCc2ccccn2)CC1 ZINC000929799688 616131885 /nfs/dbraw/zinc/13/18/85/616131885.db2.gz ZCIAIZOUGSLBTH-MRXNPFEDSA-N 2 2 293.411 0.374 20 0 CCADLP C[N@H+](C[C@H]1CCS(=O)(=O)C1)C[C@@H]1CCCC[NH2+]C1 ZINC000903733691 616134166 /nfs/dbraw/zinc/13/41/66/616134166.db2.gz MQWIKPZEBQUWBW-CHWSQXEVSA-N 2 2 274.430 0.743 20 0 CCADLP C[N@@H+](C[C@H]1CCS(=O)(=O)C1)C[C@@H]1CCCC[NH2+]C1 ZINC000903733691 616134167 /nfs/dbraw/zinc/13/41/67/616134167.db2.gz MQWIKPZEBQUWBW-CHWSQXEVSA-N 2 2 274.430 0.743 20 0 CCADLP C[NH+]1CCC(CNC(=S)N2CCn3c[nH+]cc3C2)CC1 ZINC000811712003 616170333 /nfs/dbraw/zinc/17/03/33/616170333.db2.gz DIXPSQWDLVPRRX-UHFFFAOYSA-N 2 2 293.440 0.915 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]([NH3+])CC3CC3)C2)CC1 ZINC000884220783 616172443 /nfs/dbraw/zinc/17/24/43/616172443.db2.gz BXBIIEKCWXTRKB-HIFRSBDPSA-N 3 2 294.443 0.399 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]([NH3+])CC3CC3)C2)CC1 ZINC000884220783 616172444 /nfs/dbraw/zinc/17/24/44/616172444.db2.gz BXBIIEKCWXTRKB-HIFRSBDPSA-N 3 2 294.443 0.399 20 0 CCADLP C[NH+]1CCC(OCC(=O)OCc2cc[nH+]c(N)c2)CC1 ZINC000923789880 616175766 /nfs/dbraw/zinc/17/57/66/616175766.db2.gz ZPAGXFLTSCQVMQ-UHFFFAOYSA-N 2 2 279.340 0.818 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CC[S@@](C)=O)CC1 ZINC000827905868 616181331 /nfs/dbraw/zinc/18/13/31/616181331.db2.gz BQNJRYMFALCMFE-AUUYWEPGSA-N 2 2 287.473 0.467 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CC[S@@](C)=O)CC1 ZINC000827905868 616181332 /nfs/dbraw/zinc/18/13/32/616181332.db2.gz BQNJRYMFALCMFE-AUUYWEPGSA-N 2 2 287.473 0.467 20 0 CCADLP C[N@@H+]1CCCC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000862793989 616181741 /nfs/dbraw/zinc/18/17/41/616181741.db2.gz USVPKPKMVAQCPM-LLVKDONJSA-N 2 2 250.346 0.800 20 0 CCADLP C[N@H+]1CCCC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000862793989 616181742 /nfs/dbraw/zinc/18/17/42/616181742.db2.gz USVPKPKMVAQCPM-LLVKDONJSA-N 2 2 250.346 0.800 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H](O)C1(O)CCC1 ZINC000931623190 616199619 /nfs/dbraw/zinc/19/96/19/616199619.db2.gz WWWWAKVXFUFFIV-XQQFMLRXSA-N 2 2 254.374 0.431 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H](O)C1(O)CCC1 ZINC000931623190 616199620 /nfs/dbraw/zinc/19/96/20/616199620.db2.gz WWWWAKVXFUFFIV-XQQFMLRXSA-N 2 2 254.374 0.431 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H](O)C1(O)CCC1 ZINC000931623190 616199621 /nfs/dbraw/zinc/19/96/21/616199621.db2.gz WWWWAKVXFUFFIV-XQQFMLRXSA-N 2 2 254.374 0.431 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@H](O)C1(O)CCC1 ZINC000931623190 616199622 /nfs/dbraw/zinc/19/96/22/616199622.db2.gz WWWWAKVXFUFFIV-XQQFMLRXSA-N 2 2 254.374 0.431 20 0 CCADLP C[N@@H+]1CCC[C@H](CNC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000865609568 616204882 /nfs/dbraw/zinc/20/48/82/616204882.db2.gz XVILYWMWCYPKDX-PKXJPQMGSA-N 2 2 281.400 0.333 20 0 CCADLP C[N@H+]1CCC[C@H](CNC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000865609568 616204883 /nfs/dbraw/zinc/20/48/83/616204883.db2.gz XVILYWMWCYPKDX-PKXJPQMGSA-N 2 2 281.400 0.333 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccon3)C[C@H]21 ZINC000958414672 616213038 /nfs/dbraw/zinc/21/30/38/616213038.db2.gz IPNLOBJMODGSCA-RFQIPJPRSA-N 2 2 290.367 0.315 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccon3)C[C@H]21 ZINC000958414672 616213039 /nfs/dbraw/zinc/21/30/39/616213039.db2.gz IPNLOBJMODGSCA-RFQIPJPRSA-N 2 2 290.367 0.315 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC000958414672 616213040 /nfs/dbraw/zinc/21/30/40/616213040.db2.gz IPNLOBJMODGSCA-RFQIPJPRSA-N 2 2 290.367 0.315 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC000958414672 616213041 /nfs/dbraw/zinc/21/30/41/616213041.db2.gz IPNLOBJMODGSCA-RFQIPJPRSA-N 2 2 290.367 0.315 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCOC3(CCCC3)C2)CC1 ZINC000872030125 616223601 /nfs/dbraw/zinc/22/36/01/616223601.db2.gz ZKRSETBIHDWCDA-AWEZNQCLSA-N 2 2 295.427 0.842 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)CC1 ZINC000924840875 616223657 /nfs/dbraw/zinc/22/36/57/616223657.db2.gz XRBWJOCGTYWGJG-ZBFHGGJFSA-N 2 2 295.427 0.555 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2CCCO)CC1 ZINC000924841534 616223681 /nfs/dbraw/zinc/22/36/81/616223681.db2.gz JWQAJKRCLYWUJC-LSDHHAIUSA-N 2 2 297.443 0.681 20 0 CCADLP C[N@@H+]1CCN(CC[NH2+][C@H]2CC[NH2+]C2(C)C)CC1(C)C ZINC000925663672 616242112 /nfs/dbraw/zinc/24/21/12/616242112.db2.gz WFGDZXPASDKZHD-ZDUSSCGKSA-N 3 2 268.449 0.743 20 0 CCADLP C[N@H+]1CCN(CC[NH2+][C@H]2CC[NH2+]C2(C)C)CC1(C)C ZINC000925663672 616242113 /nfs/dbraw/zinc/24/21/13/616242113.db2.gz WFGDZXPASDKZHD-ZDUSSCGKSA-N 3 2 268.449 0.743 20 0 CCADLP CN1CCOC[C@@H]1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926760281 616249022 /nfs/dbraw/zinc/24/90/22/616249022.db2.gz LYINWVKTXDXDMW-ZNMIVQPWSA-N 2 2 267.417 0.924 20 0 CCADLP CN1CCOC[C@@H]1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926760281 616249023 /nfs/dbraw/zinc/24/90/23/616249023.db2.gz LYINWVKTXDXDMW-ZNMIVQPWSA-N 2 2 267.417 0.924 20 0 CCADLP C[N@@H+]1CC[C@@H]1CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000925402609 616289938 /nfs/dbraw/zinc/28/99/38/616289938.db2.gz AZIBTMKXHNUVMF-CHWSQXEVSA-N 2 2 277.372 0.934 20 0 CCADLP C[N@H+]1CC[C@@H]1CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000925402609 616289940 /nfs/dbraw/zinc/28/99/40/616289940.db2.gz AZIBTMKXHNUVMF-CHWSQXEVSA-N 2 2 277.372 0.934 20 0 CCADLP COC(=O)/C=C(/C)C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933734162 616311016 /nfs/dbraw/zinc/31/10/16/616311016.db2.gz PKWKLLGLSJVKNN-AHECMASJSA-N 2 2 252.358 0.989 20 0 CCADLP COC(=O)/C=C(/C)C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933734162 616311021 /nfs/dbraw/zinc/31/10/21/616311021.db2.gz PKWKLLGLSJVKNN-AHECMASJSA-N 2 2 252.358 0.989 20 0 CCADLP COC(=O)/C=C(/C)C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933734162 616311023 /nfs/dbraw/zinc/31/10/23/616311023.db2.gz PKWKLLGLSJVKNN-AHECMASJSA-N 2 2 252.358 0.989 20 0 CCADLP COC(=O)/C=C(/C)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933734162 616311027 /nfs/dbraw/zinc/31/10/27/616311027.db2.gz PKWKLLGLSJVKNN-AHECMASJSA-N 2 2 252.358 0.989 20 0 CCADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000900705951 616341440 /nfs/dbraw/zinc/34/14/40/616341440.db2.gz AWIYEBCMVLSHCH-DZGCQCFKSA-N 2 2 281.400 0.138 20 0 CCADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000900705951 616341443 /nfs/dbraw/zinc/34/14/43/616341443.db2.gz AWIYEBCMVLSHCH-DZGCQCFKSA-N 2 2 281.400 0.138 20 0 CCADLP COCC[N@@H+]1CCC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000948812695 616349163 /nfs/dbraw/zinc/34/91/63/616349163.db2.gz LWRSULLGBQPRIG-AWEZNQCLSA-N 2 2 294.399 0.912 20 0 CCADLP COCC[N@H+]1CCC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000948812695 616349167 /nfs/dbraw/zinc/34/91/67/616349167.db2.gz LWRSULLGBQPRIG-AWEZNQCLSA-N 2 2 294.399 0.912 20 0 CCADLP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@H]3CN(C4CC4)C(=O)O3)C2)C1 ZINC000844331140 616354236 /nfs/dbraw/zinc/35/42/36/616354236.db2.gz HGEUHDNEMRCAEA-UKRRQHHQSA-N 2 2 279.384 0.997 20 0 CCADLP C[N@H+]1CC[C@@]2(CC[NH+](C[C@@H]3CN(C4CC4)C(=O)O3)C2)C1 ZINC000844331140 616354238 /nfs/dbraw/zinc/35/42/38/616354238.db2.gz HGEUHDNEMRCAEA-UKRRQHHQSA-N 2 2 279.384 0.997 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@H+](C[C@@H]3CN(C4CC4)C(=O)O3)C2)C1 ZINC000844331140 616354239 /nfs/dbraw/zinc/35/42/39/616354239.db2.gz HGEUHDNEMRCAEA-UKRRQHHQSA-N 2 2 279.384 0.997 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@H]3CN(C4CC4)C(=O)O3)C2)C1 ZINC000844331140 616354240 /nfs/dbraw/zinc/35/42/40/616354240.db2.gz HGEUHDNEMRCAEA-UKRRQHHQSA-N 2 2 279.384 0.997 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900684884 616363311 /nfs/dbraw/zinc/36/33/11/616363311.db2.gz XIDVOMDMOYJVCA-CABCVRRESA-N 2 2 295.427 0.794 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900684884 616363316 /nfs/dbraw/zinc/36/33/16/616363316.db2.gz XIDVOMDMOYJVCA-CABCVRRESA-N 2 2 295.427 0.794 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC000886615775 616369273 /nfs/dbraw/zinc/36/92/73/616369273.db2.gz NNCVXFFMXVSPML-RDBSUJKOSA-N 2 2 284.400 0.765 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC000886615775 616369277 /nfs/dbraw/zinc/36/92/77/616369277.db2.gz NNCVXFFMXVSPML-RDBSUJKOSA-N 2 2 284.400 0.765 20 0 CCADLP C[N@@H+]1C[C@@H]2C[NH+](CCN3CCOC3=O)C[C@]2(C)C1 ZINC000933732467 616382794 /nfs/dbraw/zinc/38/27/94/616382794.db2.gz KDWCANLTQAZKSV-YPMHNXCESA-N 2 2 253.346 0.322 20 0 CCADLP C[N@H+]1C[C@@H]2C[NH+](CCN3CCOC3=O)C[C@]2(C)C1 ZINC000933732467 616382799 /nfs/dbraw/zinc/38/27/99/616382799.db2.gz KDWCANLTQAZKSV-YPMHNXCESA-N 2 2 253.346 0.322 20 0 CCADLP C[NH+]1C[C@@H]2C[N@H+](CCN3CCOC3=O)C[C@]2(C)C1 ZINC000933732467 616382803 /nfs/dbraw/zinc/38/28/03/616382803.db2.gz KDWCANLTQAZKSV-YPMHNXCESA-N 2 2 253.346 0.322 20 0 CCADLP C[NH+]1C[C@@H]2C[N@@H+](CCN3CCOC3=O)C[C@]2(C)C1 ZINC000933732467 616382805 /nfs/dbraw/zinc/38/28/05/616382805.db2.gz KDWCANLTQAZKSV-YPMHNXCESA-N 2 2 253.346 0.322 20 0 CCADLP COC/C(C)=C\C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000930072583 616387390 /nfs/dbraw/zinc/38/73/90/616387390.db2.gz SJPHAJTZRAQCOZ-KSKAUBAUSA-N 2 2 295.427 0.993 20 0 CCADLP COC/C(C)=C\C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000930072583 616387393 /nfs/dbraw/zinc/38/73/93/616387393.db2.gz SJPHAJTZRAQCOZ-KSKAUBAUSA-N 2 2 295.427 0.993 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903752288 616393649 /nfs/dbraw/zinc/39/36/49/616393649.db2.gz MFSPEDKQIBWKMJ-STQMWFEESA-N 2 2 298.383 0.019 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903752288 616393651 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GTAXZIVLXFVLGV-LBPRGKRZSA-N 2 2 257.378 0.860 20 0 CCADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902414843 617039590 /nfs/dbraw/zinc/03/95/90/617039590.db2.gz DNQLONPVFHGEQQ-JTQLQIEISA-N 2 2 283.397 0.737 20 0 CCADLP CON1CC[C@@H]([N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000930601548 617093410 /nfs/dbraw/zinc/09/34/10/617093410.db2.gz IGTIVBOIAQOEFM-OCCSQVGLSA-N 2 2 267.373 0.566 20 0 CCADLP CON1CC[C@@H]([N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000930601548 617093411 /nfs/dbraw/zinc/09/34/11/617093411.db2.gz IGTIVBOIAQOEFM-OCCSQVGLSA-N 2 2 267.373 0.566 20 0 CCADLP CON1CC[C@@H]([NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)C1=O ZINC000930601548 617093413 /nfs/dbraw/zinc/09/34/13/617093413.db2.gz IGTIVBOIAQOEFM-OCCSQVGLSA-N 2 2 267.373 0.566 20 0 CCADLP CON1CC[C@@H]([NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000930601548 617093415 /nfs/dbraw/zinc/09/34/15/617093415.db2.gz IGTIVBOIAQOEFM-OCCSQVGLSA-N 2 2 267.373 0.566 20 0 CCADLP CON1CC[C@@H]([NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000929835679 617093517 /nfs/dbraw/zinc/09/35/17/617093517.db2.gz OROMGBVCRDPZQS-CYBMUJFWSA-N 2 2 276.340 0.366 20 0 CCADLP COc1c(C)c[nH+]c(CNC(=O)[C@H](C[NH3+])OC)c1C ZINC000884204911 617145842 /nfs/dbraw/zinc/14/58/42/617145842.db2.gz HSGGONHUNFGXSE-NSHDSACASA-N 2 2 267.329 0.297 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CC[C@H]([NH2+]CCO)[C@@H]2C1 ZINC001026406517 625434104 /nfs/dbraw/zinc/43/41/04/625434104.db2.gz ARLVQLKZQZIVIH-XQQFMLRXSA-N 2 2 292.383 0.080 20 0 CCADLP OCC[N@@H+]1CCC[C@@H]2[C@@H]1CCN2CCC[NH+]1CCOCC1 ZINC000934257589 622623360 /nfs/dbraw/zinc/62/33/60/622623360.db2.gz AOFJIFBRTOJQDX-CVEARBPZSA-N 2 2 297.443 0.240 20 0 CCADLP OCC[N@H+]1CCC[C@@H]2[C@@H]1CCN2CCC[NH+]1CCOCC1 ZINC000934257589 622623371 /nfs/dbraw/zinc/62/33/71/622623371.db2.gz AOFJIFBRTOJQDX-CVEARBPZSA-N 2 2 297.443 0.240 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000892161060 622624459 /nfs/dbraw/zinc/62/44/59/622624459.db2.gz ZCSZXYZMDDGWFV-NSHDSACASA-N 2 2 265.361 0.752 20 0 CCADLP C[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000972730281 623182504 /nfs/dbraw/zinc/18/25/04/623182504.db2.gz UTUPZSXOGDDYPX-RYUDHWBXSA-N 2 2 294.399 0.601 20 0 CCADLP C[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000972730281 623182520 /nfs/dbraw/zinc/18/25/20/623182520.db2.gz UTUPZSXOGDDYPX-RYUDHWBXSA-N 2 2 294.399 0.601 20 0 CCADLP [NH3+][C@H]1C[C@H](CNC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000892582343 623561902 /nfs/dbraw/zinc/56/19/02/623561902.db2.gz UQCQMXSOJCJKKJ-JOCQHMNTSA-N 2 2 289.383 0.651 20 0 CCADLP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000167684896 623740432 /nfs/dbraw/zinc/74/04/32/623740432.db2.gz ZFLSUOGIVXOIMV-YNEHKIRRSA-N 2 2 271.405 0.585 20 0 CCADLP C[C@]1(NC(=O)CCn2cc[nH+]c2)C[NH+]2CCC1CC2 ZINC000892792151 623838641 /nfs/dbraw/zinc/83/86/41/623838641.db2.gz HPNYMFOATPNWTN-AWEZNQCLSA-N 2 2 262.357 0.874 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC000902499877 634394825 /nfs/dbraw/zinc/39/48/25/634394825.db2.gz KXHGVACVWAPJLP-TUAOUCFPSA-N 2 2 277.372 0.491 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC001020819329 624606591 /nfs/dbraw/zinc/60/65/91/624606591.db2.gz UJCBZAMWKFCDKP-JHJVBQTASA-N 2 2 292.383 0.616 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]([NH2+]C(C)C)C1 ZINC001020981959 624635560 /nfs/dbraw/zinc/63/55/60/624635560.db2.gz UYEMIZLHVAWDDV-XYPYZODXSA-N 2 2 250.346 0.906 20 0 CCADLP Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)on1 ZINC001021126480 624662458 /nfs/dbraw/zinc/66/24/58/624662458.db2.gz PCQPWFRAJMFCCS-HAQNSBGRSA-N 2 2 289.339 0.617 20 0 CCADLP C[N@@H+]1CCC[C@H]2C[NH+](CN3CCCC3=O)CC[C@H]21 ZINC000247242300 624698962 /nfs/dbraw/zinc/69/89/62/624698962.db2.gz ZAKDJLQAZCJHDI-QWHCGFSZSA-N 2 2 251.374 0.982 20 0 CCADLP C[N@H+]1CCC[C@H]2C[NH+](CN3CCCC3=O)CC[C@H]21 ZINC000247242300 624698964 /nfs/dbraw/zinc/69/89/64/624698964.db2.gz ZAKDJLQAZCJHDI-QWHCGFSZSA-N 2 2 251.374 0.982 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@H+](CN3CCCC3=O)CC[C@H]21 ZINC000247242300 624698966 /nfs/dbraw/zinc/69/89/66/624698966.db2.gz ZAKDJLQAZCJHDI-QWHCGFSZSA-N 2 2 251.374 0.982 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@@H+](CN3CCCC3=O)CC[C@H]21 ZINC000247242300 624698968 /nfs/dbraw/zinc/69/89/68/624698968.db2.gz ZAKDJLQAZCJHDI-QWHCGFSZSA-N 2 2 251.374 0.982 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891350854 624822520 /nfs/dbraw/zinc/82/25/20/624822520.db2.gz WDPBQTQIZLPCDM-MGPQQGTHSA-N 2 2 296.415 0.243 20 0 CCADLP CC[C@H]1CN(C(=O)c2coc(C[NH3+])c2)CC[N@@H+]1CCOC ZINC000188188532 624837231 /nfs/dbraw/zinc/83/72/31/624837231.db2.gz QLDOCSDAXGRZDN-ZDUSSCGKSA-N 2 2 295.383 0.921 20 0 CCADLP CC[C@H]1CN(C(=O)c2coc(C[NH3+])c2)CC[N@H+]1CCOC ZINC000188188532 624837232 /nfs/dbraw/zinc/83/72/32/624837232.db2.gz QLDOCSDAXGRZDN-ZDUSSCGKSA-N 2 2 295.383 0.921 20 0 CCADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000891472672 624877894 /nfs/dbraw/zinc/87/78/94/624877894.db2.gz OTLLVKWXUCGBMV-NWDGAFQWSA-N 2 2 284.404 0.228 20 0 CCADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000891472672 624877896 /nfs/dbraw/zinc/87/78/96/624877896.db2.gz OTLLVKWXUCGBMV-NWDGAFQWSA-N 2 2 284.404 0.228 20 0 CCADLP O=C(N[C@H]1C[C@@H]([NH2+]CCF)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001022309571 624921046 /nfs/dbraw/zinc/92/10/46/624921046.db2.gz DIPSNQLOAIERAB-SDDRHHMPSA-N 2 2 280.347 0.652 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000891895101 624980910 /nfs/dbraw/zinc/98/09/10/624980910.db2.gz BQWNPQLDPZNADC-HZSPNIEDSA-N 2 2 296.415 0.053 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000891895101 624980919 /nfs/dbraw/zinc/98/09/19/624980919.db2.gz BQWNPQLDPZNADC-HZSPNIEDSA-N 2 2 296.415 0.053 20 0 CCADLP CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC001027123287 625736343 /nfs/dbraw/zinc/73/63/43/625736343.db2.gz LQNKENLTFMCCRW-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@@H]1COCCN1C)c1ccccc1 ZINC000925720516 625760799 /nfs/dbraw/zinc/76/07/99/625760799.db2.gz YJTBZJMMDNNXIG-CFVMTHIKSA-N 2 2 263.385 0.995 20 0 CCADLP C[N@H+](CCO)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001027514544 625930133 /nfs/dbraw/zinc/93/01/33/625930133.db2.gz MHCCIUPKOOVSQC-CYBMUJFWSA-N 2 2 280.372 0.188 20 0 CCADLP C[N@@H+](CCO)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001027514544 625930146 /nfs/dbraw/zinc/93/01/46/625930146.db2.gz MHCCIUPKOOVSQC-CYBMUJFWSA-N 2 2 280.372 0.188 20 0 CCADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1CCO[C@@]13CCOC3)C2 ZINC000903173248 634538662 /nfs/dbraw/zinc/53/86/62/634538662.db2.gz XSWUIXSCCHWLCT-DDTOSNHZSA-N 2 2 263.341 0.805 20 0 CCADLP O=C(CC[NH2+][C@@H]1CC[NH2+]C12CCC2)N1CCOCC1 ZINC000903467792 634572691 /nfs/dbraw/zinc/57/26/91/634572691.db2.gz DQFRMUZVFFNRHP-GFCCVEGCSA-N 2 2 267.373 0.110 20 0 CCADLP C[C@H](CS(C)(=O)=O)[N@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903730294 634632054 /nfs/dbraw/zinc/63/20/54/634632054.db2.gz VGLUNACOFYOVJC-JHJVBQTASA-N 2 2 290.429 0.120 20 0 CCADLP C[C@H](CS(C)(=O)=O)[N@@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903730294 634632058 /nfs/dbraw/zinc/63/20/58/634632058.db2.gz VGLUNACOFYOVJC-JHJVBQTASA-N 2 2 290.429 0.120 20 0 CCADLP O=C1C[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCN1C1CC1 ZINC000903730088 634632810 /nfs/dbraw/zinc/63/28/10/634632810.db2.gz UDMHZHGDOGNIOT-HIFRSBDPSA-N 2 2 279.384 0.062 20 0 CCADLP O=C1C[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCN1C1CC1 ZINC000903730088 634632812 /nfs/dbraw/zinc/63/28/12/634632812.db2.gz UDMHZHGDOGNIOT-HIFRSBDPSA-N 2 2 279.384 0.062 20 0 CCADLP C[C@@H]1CC[N@H+](Cc2[nH]nc3c2COCC3)C[C@H]1C[NH3+] ZINC000903759955 634640247 /nfs/dbraw/zinc/64/02/47/634640247.db2.gz CKPJTTSNEJLCHI-GHMZBOCLSA-N 2 2 264.373 0.899 20 0 CCADLP C[C@@H]1CC[N@@H+](Cc2[nH]nc3c2COCC3)C[C@H]1C[NH3+] ZINC000903759955 634640251 /nfs/dbraw/zinc/64/02/51/634640251.db2.gz CKPJTTSNEJLCHI-GHMZBOCLSA-N 2 2 264.373 0.899 20 0 CCADLP Cn1nccc1[C@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000903823272 634658644 /nfs/dbraw/zinc/65/86/44/634658644.db2.gz FUDOZBSSOZGMPO-GXTWGEPZSA-N 2 2 292.383 0.172 20 0 CCADLP Cn1nccc1[C@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000903823272 634658649 /nfs/dbraw/zinc/65/86/49/634658649.db2.gz FUDOZBSSOZGMPO-GXTWGEPZSA-N 2 2 292.383 0.172 20 0 CCADLP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)Cc2cnccn2)cnn1C ZINC000903888418 634669733 /nfs/dbraw/zinc/66/97/33/634669733.db2.gz BRGBBGDHNNLFHR-ZDUSSCGKSA-N 2 2 288.399 0.768 20 0 CCADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)Cc2cnccn2)cnn1C ZINC000903888418 634669737 /nfs/dbraw/zinc/66/97/37/634669737.db2.gz BRGBBGDHNNLFHR-ZDUSSCGKSA-N 2 2 288.399 0.768 20 0 CCADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000903899977 634679241 /nfs/dbraw/zinc/67/92/41/634679241.db2.gz XMFPZXBGKUJLDS-GHMZBOCLSA-N 2 2 273.331 0.973 20 0 CCADLP [NH3+][C@H](CC(F)F)C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000903899977 634679245 /nfs/dbraw/zinc/67/92/45/634679245.db2.gz XMFPZXBGKUJLDS-GHMZBOCLSA-N 2 2 273.331 0.973 20 0 CCADLP [NH3+]C[C@@H]([NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000903920043 634686375 /nfs/dbraw/zinc/68/63/75/634686375.db2.gz RQLMYKPHGOROQR-UKRRQHHQSA-N 3 2 292.431 0.810 20 0 CCADLP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH2+]CCC[NH2+]C1CC1 ZINC000903919553 634686815 /nfs/dbraw/zinc/68/68/15/634686815.db2.gz NTNQLNRMSBPAIO-ZDUSSCGKSA-N 3 2 278.404 0.434 20 0 CCADLP C[C@]1(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCC[NH2+]C1 ZINC000904331468 634729518 /nfs/dbraw/zinc/72/95/18/634729518.db2.gz IGOVFQZGSBHYEF-ZBFHGGJFSA-N 3 2 294.443 0.272 20 0 CCADLP C[C@]1(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCC[NH2+]C1 ZINC000904331468 634729522 /nfs/dbraw/zinc/72/95/22/634729522.db2.gz IGOVFQZGSBHYEF-ZBFHGGJFSA-N 3 2 294.443 0.272 20 0 CCADLP [NH3+][C@@H](C[NH2+]Cc1ccc(N2CC[NH2+]CC2)o1)C1CC1 ZINC000904355285 634734293 /nfs/dbraw/zinc/73/42/93/634734293.db2.gz MDUSPZANDMZRCN-ZDUSSCGKSA-N 3 2 264.373 0.516 20 0 CCADLP CC[N@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027593999 630791198 /nfs/dbraw/zinc/79/11/98/630791198.db2.gz BTKTUKCYRXLBDN-LBPRGKRZSA-N 2 2 250.346 0.895 20 0 CCADLP CC[N@@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027593999 630791200 /nfs/dbraw/zinc/79/12/00/630791200.db2.gz BTKTUKCYRXLBDN-LBPRGKRZSA-N 2 2 250.346 0.895 20 0 CCADLP O=C([C@@H]1C[NH+]2CCC[C@H]2CO1)N1CCC[N@@H+](CCF)CC1 ZINC000981210599 631249840 /nfs/dbraw/zinc/24/98/40/631249840.db2.gz RXYNQQGRMGNFKJ-KBPBESRZSA-N 2 2 299.390 0.353 20 0 CCADLP O=C([C@@H]1C[NH+]2CCC[C@H]2CO1)N1CCC[N@H+](CCF)CC1 ZINC000981210599 631249856 /nfs/dbraw/zinc/24/98/56/631249856.db2.gz RXYNQQGRMGNFKJ-KBPBESRZSA-N 2 2 299.390 0.353 20 0 CCADLP O=C([C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC[NH+](CCF)CC1 ZINC000981210599 631249881 /nfs/dbraw/zinc/24/98/81/631249881.db2.gz RXYNQQGRMGNFKJ-KBPBESRZSA-N 2 2 299.390 0.353 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2cccnc2)C1 ZINC001010370124 631352186 /nfs/dbraw/zinc/35/21/86/631352186.db2.gz SZCLNQOEIXIZQL-LSDHHAIUSA-N 2 2 288.395 0.866 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2cccnc2)C1 ZINC001010370124 631352190 /nfs/dbraw/zinc/35/21/90/631352190.db2.gz SZCLNQOEIXIZQL-LSDHHAIUSA-N 2 2 288.395 0.866 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001010370124 631352194 /nfs/dbraw/zinc/35/21/94/631352194.db2.gz SZCLNQOEIXIZQL-LSDHHAIUSA-N 2 2 288.395 0.866 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001010370124 631352198 /nfs/dbraw/zinc/35/21/98/631352198.db2.gz SZCLNQOEIXIZQL-LSDHHAIUSA-N 2 2 288.395 0.866 20 0 CCADLP Cc1ncoc1C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001010382320 631367712 /nfs/dbraw/zinc/36/77/12/631367712.db2.gz HUAZJBBDFOJWGX-STQMWFEESA-N 2 2 292.383 0.768 20 0 CCADLP Cc1ncoc1C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001010382320 631367723 /nfs/dbraw/zinc/36/77/23/631367723.db2.gz HUAZJBBDFOJWGX-STQMWFEESA-N 2 2 292.383 0.768 20 0 CCADLP Cc1ncoc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010382320 631367733 /nfs/dbraw/zinc/36/77/33/631367733.db2.gz HUAZJBBDFOJWGX-STQMWFEESA-N 2 2 292.383 0.768 20 0 CCADLP Cc1ncoc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010382320 631367742 /nfs/dbraw/zinc/36/77/42/631367742.db2.gz HUAZJBBDFOJWGX-STQMWFEESA-N 2 2 292.383 0.768 20 0 CCADLP C[C@H]1C[C@H]([NH+](C)CCc2nnnn2C)CC[N@@H+]1C ZINC000878164059 631598438 /nfs/dbraw/zinc/59/84/38/631598438.db2.gz ZXMBBPNVMOKSIV-WDEREUQCSA-N 2 2 252.366 0.167 20 0 CCADLP C[C@H]1C[C@H]([NH+](C)CCc2nnnn2C)CC[N@H+]1C ZINC000878164059 631598446 /nfs/dbraw/zinc/59/84/46/631598446.db2.gz ZXMBBPNVMOKSIV-WDEREUQCSA-N 2 2 252.366 0.167 20 0 CCADLP C[C@H]1C[C@H]([N@H+](C)CCc2nnnn2C)CC[NH+]1C ZINC000878164059 631598451 /nfs/dbraw/zinc/59/84/51/631598451.db2.gz ZXMBBPNVMOKSIV-WDEREUQCSA-N 2 2 252.366 0.167 20 0 CCADLP C[C@H]1C[C@H]([N@@H+](C)CCc2nnnn2C)CC[NH+]1C ZINC000878164059 631598458 /nfs/dbraw/zinc/59/84/58/631598458.db2.gz 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C[C@@H]1[C@H](Nc2cc(-n3cccn3)nc(N)[nH+]2)CC[N@H+]1C ZINC000895739518 632140196 /nfs/dbraw/zinc/14/01/96/632140196.db2.gz FTYDTTVPNATWJC-NXEZZACHSA-N 2 2 273.344 0.749 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896800337 632325760 /nfs/dbraw/zinc/32/57/60/632325760.db2.gz HTHAMMUBNZSXKI-LLVKDONJSA-N 2 2 264.329 0.055 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H](C[NH2+]C[C@@H]2CCOC2)C1 ZINC000984859036 632329828 /nfs/dbraw/zinc/32/98/28/632329828.db2.gz RBVKYAKJERQNII-AVGNSLFASA-N 2 2 292.383 0.473 20 0 CCADLP C[C@H](O)C[N@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000985815417 632648418 /nfs/dbraw/zinc/64/84/18/632648418.db2.gz GASWIDVAONDDRS-LBPRGKRZSA-N 2 2 280.372 0.187 20 0 CCADLP C[C@H](O)C[N@@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000985815417 632648421 /nfs/dbraw/zinc/64/84/21/632648421.db2.gz GASWIDVAONDDRS-LBPRGKRZSA-N 2 2 280.372 0.187 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N1CC[C@H]([NH2+]CCO)[C@@H]1C ZINC000986429319 632755095 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Cc1ncoc1CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000923794349 633544609 /nfs/dbraw/zinc/54/46/09/633544609.db2.gz PUCKEZOTAQEASQ-UHFFFAOYSA-N 2 2 297.403 0.666 20 0 CCADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC([NH+]2CCCC2)C1 ZINC000898600929 633630344 /nfs/dbraw/zinc/63/03/44/633630344.db2.gz HSPPXYMWCSWGRG-GFCCVEGCSA-N 2 2 274.368 0.752 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000899248851 633772236 /nfs/dbraw/zinc/77/22/36/633772236.db2.gz RCHYRCVDXUYXCW-QWRGUYRKSA-N 2 2 265.361 0.569 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCC[NH+](CCF)C2)C1 ZINC001008536773 650119154 /nfs/dbraw/zinc/11/91/54/650119154.db2.gz AQXPFEQSCGWJGL-STQMWFEESA-N 2 2 271.380 0.878 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCC[NH+](CCF)C2)C1 ZINC001008536773 650119155 /nfs/dbraw/zinc/11/91/55/650119155.db2.gz AQXPFEQSCGWJGL-STQMWFEESA-N 2 2 271.380 0.878 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@H+](CCF)C2)C1 ZINC001008536773 650119157 /nfs/dbraw/zinc/11/91/57/650119157.db2.gz AQXPFEQSCGWJGL-STQMWFEESA-N 2 2 271.380 0.878 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](CCF)C2)C1 ZINC001008536773 650119158 /nfs/dbraw/zinc/11/91/58/650119158.db2.gz AQXPFEQSCGWJGL-STQMWFEESA-N 2 2 271.380 0.878 20 0 CCADLP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C12CC[NH+](CC1)C2 ZINC000900307546 633987950 /nfs/dbraw/zinc/98/79/50/633987950.db2.gz LVBNRBNGKLMWIO-LBPRGKRZSA-N 2 2 263.385 0.683 20 0 CCADLP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C12CC[NH+](CC1)C2 ZINC000900307546 633987952 /nfs/dbraw/zinc/98/79/52/633987952.db2.gz LVBNRBNGKLMWIO-LBPRGKRZSA-N 2 2 263.385 0.683 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001009210124 650139948 /nfs/dbraw/zinc/13/99/48/650139948.db2.gz WMEZXSAHRFCOMA-ZDUSSCGKSA-N 2 2 276.384 0.953 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001009210124 650139950 /nfs/dbraw/zinc/13/99/50/650139950.db2.gz WMEZXSAHRFCOMA-ZDUSSCGKSA-N 2 2 276.384 0.953 20 0 CCADLP O=C(N[C@H]1CCC[N@@H+](CCF)C1)C12CC[NH+](CC1)C2 ZINC001009225569 650140745 /nfs/dbraw/zinc/14/07/45/650140745.db2.gz MWZIQMMSEJOGAN-LBPRGKRZSA-N 2 2 269.364 0.632 20 0 CCADLP O=C(N[C@H]1CCC[N@H+](CCF)C1)C12CC[NH+](CC1)C2 ZINC001009225569 650140747 /nfs/dbraw/zinc/14/07/47/650140747.db2.gz MWZIQMMSEJOGAN-LBPRGKRZSA-N 2 2 269.364 0.632 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000911712479 636345869 /nfs/dbraw/zinc/34/58/69/636345869.db2.gz BVWPNDAJXZYCQN-QWRGUYRKSA-N 2 2 250.346 0.847 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000911712479 636345870 /nfs/dbraw/zinc/34/58/70/636345870.db2.gz BVWPNDAJXZYCQN-QWRGUYRKSA-N 2 2 250.346 0.847 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H]1CCC[NH2+]C1 ZINC000911719688 636349384 /nfs/dbraw/zinc/34/93/84/636349384.db2.gz NPOVZHWPSYGQGQ-AVGNSLFASA-N 2 2 276.384 0.950 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000911720091 636350403 /nfs/dbraw/zinc/35/04/03/636350403.db2.gz HKBVNFPRRDDMNT-ZYHUDNBSSA-N 2 2 250.346 0.928 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000911720091 636350406 /nfs/dbraw/zinc/35/04/06/636350406.db2.gz HKBVNFPRRDDMNT-ZYHUDNBSSA-N 2 2 250.346 0.928 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C23CC[NH+](CC2)C3)[C@H](C)CO1 ZINC000912397331 636569171 /nfs/dbraw/zinc/56/91/71/636569171.db2.gz YILSQNWJWBNLEM-CHWSQXEVSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C23CC[NH+](CC2)C3)[C@H](C)CO1 ZINC000912397331 636569174 /nfs/dbraw/zinc/56/91/74/636569174.db2.gz YILSQNWJWBNLEM-CHWSQXEVSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1CO)[NH+]1CCCCCC1 ZINC000912744434 636666250 /nfs/dbraw/zinc/66/62/50/636666250.db2.gz WBPGGWLADREWNA-ZIAGYGMSSA-N 2 2 283.416 0.386 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1CO)[NH+]1CCCCCC1 ZINC000912744434 636666253 /nfs/dbraw/zinc/66/62/53/636666253.db2.gz WBPGGWLADREWNA-ZIAGYGMSSA-N 2 2 283.416 0.386 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000311143573 636866416 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O=C(Cn1cc[nH+]c1)N[C@@]12CCC[C@H]1[N@@H+](CCCO)CC2 ZINC000992536579 637466291 /nfs/dbraw/zinc/46/62/91/637466291.db2.gz RPUZABKGWZIFPA-UKRRQHHQSA-N 2 2 292.383 0.379 20 0 CCADLP C[N@@H+]1CC[C@H]1CNC(=O)NCCNc1cccc[nH+]1 ZINC000913915549 637467501 /nfs/dbraw/zinc/46/75/01/637467501.db2.gz HDGPGTATLCAPQV-NSHDSACASA-N 2 2 263.345 0.497 20 0 CCADLP C[N@H+]1CC[C@H]1CNC(=O)NCCNc1cccc[nH+]1 ZINC000913915549 637467503 /nfs/dbraw/zinc/46/75/03/637467503.db2.gz HDGPGTATLCAPQV-NSHDSACASA-N 2 2 263.345 0.497 20 0 CCADLP COCC[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H]1C ZINC000994297786 637916778 /nfs/dbraw/zinc/91/67/78/637916778.db2.gz JMMLKXNKLIVPLE-STQMWFEESA-N 2 2 294.399 0.876 20 0 CCADLP COCC[N@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H]1C ZINC000994297786 637916784 /nfs/dbraw/zinc/91/67/84/637916784.db2.gz JMMLKXNKLIVPLE-STQMWFEESA-N 2 2 294.399 0.876 20 0 CCADLP C[C@H](NC(=O)NC[C@@H]1CC[N@@H+]1C)[C@H](C)[NH+]1CCOCC1 ZINC000917016398 637941175 /nfs/dbraw/zinc/94/11/75/637941175.db2.gz 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ZINC000873229096 646362660 /nfs/dbraw/zinc/36/26/60/646362660.db2.gz XACVEKWCTJPVJE-DTWKUNHWSA-N 3 2 251.296 0.794 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CC2(C[NH3+])CC2)C[C@H]1C(F)(F)F ZINC000873229096 646362663 /nfs/dbraw/zinc/36/26/63/646362663.db2.gz XACVEKWCTJPVJE-DTWKUNHWSA-N 3 2 251.296 0.794 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876707471 646647489 /nfs/dbraw/zinc/64/74/89/646647489.db2.gz HIXPGEANKJZYGU-QWRGUYRKSA-N 2 2 254.309 0.337 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876729953 646652181 /nfs/dbraw/zinc/65/21/81/646652181.db2.gz BRHPECYVXCGTII-CIUCYMIDSA-N 2 2 262.357 0.944 20 0 CCADLP O=C(NCCCNc1cccc[nH+]1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876728098 646652278 /nfs/dbraw/zinc/65/22/78/646652278.db2.gz XZMWURPFUWDXNG-WCQYABFASA-N 2 2 280.347 0.947 20 0 CCADLP Cn1ncc(C[NH3+])c1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000876737043 646653427 /nfs/dbraw/zinc/65/34/27/646653427.db2.gz OPTCKFFAWSUYJN-UHFFFAOYSA-N 2 2 299.378 0.624 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000876853207 646682054 /nfs/dbraw/zinc/68/20/54/646682054.db2.gz JQTSBRMQIAVUQI-SECBINFHSA-N 2 2 273.283 0.726 20 0 CCADLP [NH3+]C[C@@H]1CC[C@H](NC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000876870200 646687112 /nfs/dbraw/zinc/68/71/12/646687112.db2.gz LCASGKQDTZFLNT-FEAJGASRSA-N 2 2 267.373 0.118 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C)CC2)CC(C)(C)O1 ZINC000877995953 646857698 /nfs/dbraw/zinc/85/76/98/646857698.db2.gz YBUKZIWLUVNPLJ-GFCCVEGCSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C)CC2)CC(C)(C)O1 ZINC000877995953 646857701 /nfs/dbraw/zinc/85/77/01/646857701.db2.gz YBUKZIWLUVNPLJ-GFCCVEGCSA-N 2 2 283.416 0.696 20 0 CCADLP Cc1conc1C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000878338381 646897963 /nfs/dbraw/zinc/89/79/63/646897963.db2.gz RDRBILVSACQMFM-UHFFFAOYSA-N 2 2 295.383 0.642 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000879935981 647130064 /nfs/dbraw/zinc/13/00/64/647130064.db2.gz DGQGRJGIBCSKOC-STQMWFEESA-N 2 2 297.424 0.719 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000879935981 647130066 /nfs/dbraw/zinc/13/00/66/647130066.db2.gz DGQGRJGIBCSKOC-STQMWFEESA-N 2 2 297.424 0.719 20 0 CCADLP O=C1NCC[C@H]1CC[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880206627 647169775 /nfs/dbraw/zinc/16/97/75/647169775.db2.gz HXXCYVXASMIUQW-ZFWWWQNUSA-N 2 2 295.427 0.746 20 0 CCADLP O=C1NCC[C@H]1CC[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880206627 647169781 /nfs/dbraw/zinc/16/97/81/647169781.db2.gz HXXCYVXASMIUQW-ZFWWWQNUSA-N 2 2 295.427 0.746 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC2(CC1)COCCO2)C1CC1 ZINC000880547128 647227161 /nfs/dbraw/zinc/22/71/61/647227161.db2.gz DHMRHKZZTVLISH-CQSZACIVSA-N 2 2 284.400 0.323 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC2(CC1)COCCO2)C1CC1 ZINC000880547128 647227169 /nfs/dbraw/zinc/22/71/69/647227169.db2.gz DHMRHKZZTVLISH-CQSZACIVSA-N 2 2 284.400 0.323 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880580962 647234397 /nfs/dbraw/zinc/23/43/97/647234397.db2.gz TUXJOQYFFGWWOA-CQSZACIVSA-N 2 2 279.384 0.826 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880580962 647234402 /nfs/dbraw/zinc/23/44/02/647234402.db2.gz TUXJOQYFFGWWOA-CQSZACIVSA-N 2 2 279.384 0.826 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H]([NH3+])CC1CC1)[NH+]1CCOCC1 ZINC000884212282 647669590 /nfs/dbraw/zinc/66/95/90/647669590.db2.gz AHYNZGJHVJOWMV-LOWVWBTDSA-N 2 2 269.389 0.339 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000886081464 647897237 /nfs/dbraw/zinc/89/72/37/647897237.db2.gz PWVOOWRARLSYIW-DZGCQCFKSA-N 2 2 276.384 0.969 20 0 CCADLP [NH3+][C@H]1CCCN(Cc2cn(CCCn3cc[nH+]c3)nn2)C1 ZINC000887442289 648107890 /nfs/dbraw/zinc/10/78/90/648107890.db2.gz AIXCKMSVUGUQRH-ZDUSSCGKSA-N 2 2 289.387 0.488 20 0 CCADLP O=C(c1ccco1)N1CCC([NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925537411 648441382 /nfs/dbraw/zinc/44/13/82/648441382.db2.gz XGWVUXBJVXYKPI-CYBMUJFWSA-N 2 2 293.367 0.462 20 0 CCADLP O=C(c1ccco1)N1CCC([NH2+][C@H]2C[NH2+]CCOC2)CC1 ZINC000925537412 648441446 /nfs/dbraw/zinc/44/14/46/648441446.db2.gz XGWVUXBJVXYKPI-ZDUSSCGKSA-N 2 2 293.367 0.462 20 0 CCADLP Cc1cc(CC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)nn1C ZINC000925834398 648465319 /nfs/dbraw/zinc/46/53/19/648465319.db2.gz NJOSOZHGBWRGOQ-HUUCEWRRSA-N 2 2 278.400 0.628 20 0 CCADLP CS(=O)(=O)C[C@H](O)C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000925854562 648466429 /nfs/dbraw/zinc/46/64/29/648466429.db2.gz ALYQGARQICXVOE-JIMOISOXSA-N 2 2 284.381 0.126 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2cccc(F)n2)CC1 ZINC000926093129 648485616 /nfs/dbraw/zinc/48/56/16/648485616.db2.gz LUGUJEPZVWXVBM-UHFFFAOYSA-N 2 2 281.335 0.765 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928072302 648612315 /nfs/dbraw/zinc/61/23/15/648612315.db2.gz FYYVCHVBKQTNTQ-STQMWFEESA-N 2 2 294.424 0.888 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928072302 648612318 /nfs/dbraw/zinc/61/23/18/648612318.db2.gz FYYVCHVBKQTNTQ-STQMWFEESA-N 2 2 294.424 0.888 20 0 CCADLP O[C@H](C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)C1(O)CCC1 ZINC000930320158 648849095 /nfs/dbraw/zinc/84/90/95/648849095.db2.gz RWPLWXIQOLJFBJ-HUUCEWRRSA-N 2 2 298.427 0.449 20 0 CCADLP O[C@H](C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)C1(O)CCC1 ZINC000930320158 648849098 /nfs/dbraw/zinc/84/90/98/648849098.db2.gz RWPLWXIQOLJFBJ-HUUCEWRRSA-N 2 2 298.427 0.449 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCNC(=O)CC1(C)C ZINC000931203301 648964801 /nfs/dbraw/zinc/96/48/01/648964801.db2.gz IABPIFFQXPWWOC-UHFFFAOYSA-N 2 2 250.346 0.792 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCNC(=O)CC1(C)C ZINC000931203301 648964807 /nfs/dbraw/zinc/96/48/07/648964807.db2.gz IABPIFFQXPWWOC-UHFFFAOYSA-N 2 2 250.346 0.792 20 0 CCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCO[C@H]1CCOC1 ZINC000931719785 649022223 /nfs/dbraw/zinc/02/22/23/649022223.db2.gz OIGWCPZFPHLBJE-MJBXVCDLSA-N 2 2 254.374 0.960 20 0 CCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCO[C@H]1CCOC1 ZINC000931719785 649022226 /nfs/dbraw/zinc/02/22/26/649022226.db2.gz OIGWCPZFPHLBJE-MJBXVCDLSA-N 2 2 254.374 0.960 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCO[C@H]1CCOC1 ZINC000931719785 649022228 /nfs/dbraw/zinc/02/22/28/649022228.db2.gz OIGWCPZFPHLBJE-MJBXVCDLSA-N 2 2 254.374 0.960 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCO[C@H]1CCOC1 ZINC000931719785 649022230 /nfs/dbraw/zinc/02/22/30/649022230.db2.gz OIGWCPZFPHLBJE-MJBXVCDLSA-N 2 2 254.374 0.960 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCC([C@H]2COC(=O)N2)CC1 ZINC000932769409 649089992 /nfs/dbraw/zinc/08/99/92/649089992.db2.gz DAGKKBKARXJTMN-CYBMUJFWSA-N 2 2 278.356 0.783 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCC(CN2CCNC2=O)CC1 ZINC000933580490 649127564 /nfs/dbraw/zinc/12/75/64/649127564.db2.gz UUIHHRQFQKPESO-UHFFFAOYSA-N 2 2 291.399 0.929 20 0 CCADLP C[C@@H]([NH3+])CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000040832858 649282625 /nfs/dbraw/zinc/28/26/25/649282625.db2.gz JUDYHMBVLRTBNX-CYBMUJFWSA-N 2 2 291.395 0.872 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)c2cccc(C[NH3+])c2)C1 ZINC000091662268 649708916 /nfs/dbraw/zinc/70/89/16/649708916.db2.gz PAPBBRFWAKVYCB-CYBMUJFWSA-N 2 2 263.341 0.206 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)c2cccc(C[NH3+])c2)C1 ZINC000091662268 649708919 /nfs/dbraw/zinc/70/89/19/649708919.db2.gz PAPBBRFWAKVYCB-CYBMUJFWSA-N 2 2 263.341 0.206 20 0 CCADLP Cc1nc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c2c([nH+]1)CCC2 ZINC001164671463 719421457 /nfs/dbraw/zinc/42/14/57/719421457.db2.gz PLWCLNZJFNBKGQ-ZIAGYGMSSA-N 2 2 274.368 0.793 20 0 CCADLP Cc1nc(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c2c([nH+]1)CCC2 ZINC001164671463 719421463 /nfs/dbraw/zinc/42/14/63/719421463.db2.gz PLWCLNZJFNBKGQ-ZIAGYGMSSA-N 2 2 274.368 0.793 20 0 CCADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1cc(N)[nH+]cn1 ZINC001164926778 721876595 /nfs/dbraw/zinc/87/65/95/721876595.db2.gz SJQKJELFBQFBHJ-NWDGAFQWSA-N 2 2 276.388 0.273 20 0 CCADLP CCOCC[NH+]1CCC(NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001230128496 805583900 /nfs/dbraw/zinc/58/39/00/805583900.db2.gz BSZYPISOSUAAGT-UHFFFAOYSA-N 2 2 294.399 0.878 20 0 CCADLP Cc1ncoc1C[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039028927 790409758 /nfs/dbraw/zinc/40/97/58/790409758.db2.gz SODIHQQVZXKTRN-STQMWFEESA-N 2 2 292.383 0.625 20 0 CCADLP Cc1ncoc1C[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001039028927 790409768 /nfs/dbraw/zinc/40/97/68/790409768.db2.gz SODIHQQVZXKTRN-STQMWFEESA-N 2 2 292.383 0.625 20 0 CCADLP Cc1ncoc1C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039028927 790409774 /nfs/dbraw/zinc/40/97/74/790409774.db2.gz SODIHQQVZXKTRN-STQMWFEESA-N 2 2 292.383 0.625 20 0 CCADLP Cc1ncoc1C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039028927 790409783 /nfs/dbraw/zinc/40/97/83/790409783.db2.gz SODIHQQVZXKTRN-STQMWFEESA-N 2 2 292.383 0.625 20 0 CCADLP C[NH+](C)CCN1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001208603484 790427260 /nfs/dbraw/zinc/42/72/60/790427260.db2.gz CWPTUVXJSFPJGE-OAHLLOKOSA-N 3 2 268.449 0.507 20 0 CCADLP C[NH+](C)CCN1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001208603484 790427266 /nfs/dbraw/zinc/42/72/66/790427266.db2.gz CWPTUVXJSFPJGE-OAHLLOKOSA-N 3 2 268.449 0.507 20 0 CCADLP C[N@@H+]1CCC[C@H](C[NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC000693014112 790638122 /nfs/dbraw/zinc/63/81/22/790638122.db2.gz NPROAEXXSPCFEA-CYBMUJFWSA-N 2 2 274.430 0.743 20 0 CCADLP C[N@H+]1CCC[C@H](C[NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC000693014112 790638129 /nfs/dbraw/zinc/63/81/29/790638129.db2.gz NPROAEXXSPCFEA-CYBMUJFWSA-N 2 2 274.430 0.743 20 0 CCADLP CCCC[C@H]([NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1)C(N)=O ZINC001167349876 790943467 /nfs/dbraw/zinc/94/34/67/790943467.db2.gz JIFNSXCUDDVDMV-LBPRGKRZSA-N 2 2 295.387 0.092 20 0 CCADLP Cn1nncc1C[N@H+]1[C@@H]2CC[C@H]1CC(NCC[NH+](C)C)C2 ZINC001277603058 805888774 /nfs/dbraw/zinc/88/87/74/805888774.db2.gz YROWGZXXDHGYCH-AGUYFDCRSA-N 2 2 292.431 0.462 20 0 CCADLP Cn1nncc1C[N@@H+]1[C@@H]2CC[C@H]1CC(NCC[NH+](C)C)C2 ZINC001277603058 805888782 /nfs/dbraw/zinc/88/87/82/805888782.db2.gz YROWGZXXDHGYCH-AGUYFDCRSA-N 2 2 292.431 0.462 20 0 CCADLP Cn1nncc1C[N@H+]1[C@@H]2CC[C@H]1CN(CC[NH+](C)C)C2 ZINC001277602886 805889370 /nfs/dbraw/zinc/88/93/70/805889370.db2.gz XNOHVXHPJWJVQU-BETUJISGSA-N 2 2 278.404 0.025 20 0 CCADLP Cn1nncc1C[N@@H+]1[C@@H]2CC[C@H]1CN(CC[NH+](C)C)C2 ZINC001277602886 805889378 /nfs/dbraw/zinc/88/93/78/805889378.db2.gz XNOHVXHPJWJVQU-BETUJISGSA-N 2 2 278.404 0.025 20 0 CCADLP Cc1[nH]c(CN(CC[NH+](C)C)CC[NH+](C)C)c[nH+]1 ZINC001232462991 805941487 /nfs/dbraw/zinc/94/14/87/805941487.db2.gz YMWMIAZRJRMQEE-UHFFFAOYSA-N 3 2 253.394 0.643 20 0 CCADLP Cc1[nH]cc(CN(CC[NH+](C)C)CC[NH+](C)C)[nH+]1 ZINC001232462991 805941495 /nfs/dbraw/zinc/94/14/95/805941495.db2.gz YMWMIAZRJRMQEE-UHFFFAOYSA-N 3 2 253.394 0.643 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H](C[NH2+]CCO)C1CC1 ZINC001277709102 805975673 /nfs/dbraw/zinc/97/56/73/805975673.db2.gz DWKLHDHKWMFAIA-SMDDNHRTSA-N 2 2 294.399 0.407 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H](C[NH2+]CCO)C1CC1 ZINC001277709102 805975680 /nfs/dbraw/zinc/97/56/80/805975680.db2.gz DWKLHDHKWMFAIA-SMDDNHRTSA-N 2 2 294.399 0.407 20 0 CCADLP C[NH+](C)CCCN1CC[NH+](Cc2cccc(N)n2)CC1 ZINC001233372104 806050020 /nfs/dbraw/zinc/05/00/20/806050020.db2.gz XZYVGWBVMWCEEP-UHFFFAOYSA-N 2 2 277.416 0.733 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001039476722 791443674 /nfs/dbraw/zinc/44/36/74/791443674.db2.gz KLOQSIDCHHEORT-MJBXVCDLSA-N 2 2 292.383 0.329 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001039476722 791443678 /nfs/dbraw/zinc/44/36/78/791443678.db2.gz KLOQSIDCHHEORT-MJBXVCDLSA-N 2 2 292.383 0.329 20 0 CCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@H](C[NH2+]CCF)C1 ZINC001267048153 791478787 /nfs/dbraw/zinc/47/87/87/791478787.db2.gz TWVHEZXTMUEOKF-CHWSQXEVSA-N 2 2 294.374 0.853 20 0 CCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@H](C[NH2+]CCF)C1 ZINC001267047537 791478813 /nfs/dbraw/zinc/47/88/13/791478813.db2.gz MBTMYYQSTUQESD-CHWSQXEVSA-N 2 2 294.374 0.853 20 0 CCADLP CCOCCC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001267058007 791487109 /nfs/dbraw/zinc/48/71/09/791487109.db2.gz GDPSEVKWSBYYGZ-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP C[C@@H](CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CCCO ZINC001277861049 806263918 /nfs/dbraw/zinc/26/39/18/806263918.db2.gz ALYNREJIZAZBNN-STQMWFEESA-N 2 2 294.399 0.264 20 0 CCADLP Cc1cccn2c(CN3CCN[C@@]4(CC[NH2+]C4)C3)c[nH+]c12 ZINC001235051328 806353329 /nfs/dbraw/zinc/35/33/29/806353329.db2.gz ITCCCTRDJZMJAZ-MRXNPFEDSA-N 2 2 285.395 0.780 20 0 CCADLP C([C@H]1COC2(CCCCC2)O1)[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235056305 806359038 /nfs/dbraw/zinc/35/90/38/806359038.db2.gz XMVXALBNHIBRID-GJZGRUSLSA-N 2 2 295.427 0.700 20 0 CCADLP C([C@H]1COC2(CCCCC2)O1)[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235056305 806359047 /nfs/dbraw/zinc/35/90/47/806359047.db2.gz XMVXALBNHIBRID-GJZGRUSLSA-N 2 2 295.427 0.700 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCCC[C@]12CC[NH2+]C2 ZINC001235127053 806376689 /nfs/dbraw/zinc/37/66/89/806376689.db2.gz WQYZVKNWGQMLDK-CQSZACIVSA-N 2 2 253.390 0.537 20 0 CCADLP [NH3+]CC[NH+]1C[C@H]2CN(C(=O)c3ccccc3)C[C@@H]2C1 ZINC001235475260 806428156 /nfs/dbraw/zinc/42/81/56/806428156.db2.gz VHOZGRGDKSYGSD-KBPBESRZSA-N 2 2 259.353 0.649 20 0 CCADLP CCOCC[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001277948879 806435719 /nfs/dbraw/zinc/43/57/19/806435719.db2.gz WIEKFQOTOCGGDP-ZDUSSCGKSA-N 2 2 280.372 0.569 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1CC[C@H]2OCC[C@@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC001235539970 806449360 /nfs/dbraw/zinc/44/93/60/806449360.db2.gz BCYVEFSSQZSQJP-RFQIPJPRSA-N 2 2 297.399 0.225 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1CC[C@H]2OCC[C@@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC001235539970 806449364 /nfs/dbraw/zinc/44/93/64/806449364.db2.gz BCYVEFSSQZSQJP-RFQIPJPRSA-N 2 2 297.399 0.225 20 0 CCADLP Cc1ncn(C)c1C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001235542970 806450888 /nfs/dbraw/zinc/45/08/88/806450888.db2.gz KOLWLWFOLAHDIW-UHFFFAOYSA-N 2 2 291.443 0.940 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)N2CCCC2)C1 ZINC001235628517 806477487 /nfs/dbraw/zinc/47/74/87/806477487.db2.gz DOTVBMMOFRRIAO-YJNKXOJESA-N 2 2 295.427 0.683 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)N2CCCC2)C1 ZINC001235628517 806477489 /nfs/dbraw/zinc/47/74/89/806477489.db2.gz DOTVBMMOFRRIAO-YJNKXOJESA-N 2 2 295.427 0.683 20 0 CCADLP [NH3+]CC[N@@H+]1CCC[C@@]2(CCN(c3cncnc3)C2=O)C1 ZINC001235661904 806487279 /nfs/dbraw/zinc/48/72/79/806487279.db2.gz WWGDMOSJVCLYPX-CQSZACIVSA-N 2 2 275.356 0.254 20 0 CCADLP [NH3+]CC[N@H+]1CCC[C@@]2(CCN(c3cncnc3)C2=O)C1 ZINC001235661904 806487281 /nfs/dbraw/zinc/48/72/81/806487281.db2.gz WWGDMOSJVCLYPX-CQSZACIVSA-N 2 2 275.356 0.254 20 0 CCADLP COC(=O)[C@]1(C)CCC[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001235887637 806513574 /nfs/dbraw/zinc/51/35/74/806513574.db2.gz HBNNXXTVDFVUHX-SMDDNHRTSA-N 2 2 270.373 0.986 20 0 CCADLP COC(=O)[C@]1(C)CCC[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001235887637 806513578 /nfs/dbraw/zinc/51/35/78/806513578.db2.gz HBNNXXTVDFVUHX-SMDDNHRTSA-N 2 2 270.373 0.986 20 0 CCADLP COC(=O)C[C@@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235948163 806519160 /nfs/dbraw/zinc/51/91/60/806519160.db2.gz JXKODFBIJQYVKA-QWRGUYRKSA-N 2 2 256.346 0.738 20 0 CCADLP COC(=O)C[C@@H]1CCC[N@H+]1C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235948163 806519162 /nfs/dbraw/zinc/51/91/62/806519162.db2.gz JXKODFBIJQYVKA-QWRGUYRKSA-N 2 2 256.346 0.738 20 0 CCADLP Cc1nc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])ccc1F ZINC001236002551 806528260 /nfs/dbraw/zinc/52/82/60/806528260.db2.gz WKFPRNNPPJXBQI-BVUQATHDSA-N 2 2 265.332 0.935 20 0 CCADLP Cc1nc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])ccc1F ZINC001236002551 806528266 /nfs/dbraw/zinc/52/82/66/806528266.db2.gz WKFPRNNPPJXBQI-BVUQATHDSA-N 2 2 265.332 0.935 20 0 CCADLP CCOC(=O)[C@]12C[N@H+](C[C@H](C)C(=O)OC)C[C@H]1C[NH2+]CC2 ZINC001236037429 806532086 /nfs/dbraw/zinc/53/20/86/806532086.db2.gz HWNWRDULVCXFSV-YWPYICTPSA-N 2 2 298.383 0.270 20 0 CCADLP CCOC(=O)[C@]12C[N@@H+](C[C@H](C)C(=O)OC)C[C@H]1C[NH2+]CC2 ZINC001236037429 806532095 /nfs/dbraw/zinc/53/20/95/806532095.db2.gz HWNWRDULVCXFSV-YWPYICTPSA-N 2 2 298.383 0.270 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C[C@@H]2CCOC(C)(C)C2)C[C@H]1[NH3+] ZINC001236341494 806572000 /nfs/dbraw/zinc/57/20/00/806572000.db2.gz LFIAPFQBWIKVOB-IJLUTSLNSA-N 2 2 270.373 0.624 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C[C@@H]2CCOC(C)(C)C2)C[C@H]1[NH3+] ZINC001236341494 806572005 /nfs/dbraw/zinc/57/20/05/806572005.db2.gz LFIAPFQBWIKVOB-IJLUTSLNSA-N 2 2 270.373 0.624 20 0 CCADLP COC(=O)[C@H]1CN(Cc2cccc3[nH+]ccn32)C[C@H]1[NH3+] ZINC001236347721 806578326 /nfs/dbraw/zinc/57/83/26/806578326.db2.gz BXATXKKUBWOYQS-NWDGAFQWSA-N 2 2 274.324 0.266 20 0 CCADLP COC(=O)[C@@H]1CN(Cc2ccc3[nH+]ccn3c2)C[C@@H]1[NH3+] ZINC001236348216 806578369 /nfs/dbraw/zinc/57/83/69/806578369.db2.gz LWUUTVHVDGFUMJ-NEPJUHHUSA-N 2 2 274.324 0.266 20 0 CCADLP CC(C)C[NH2+][C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001278036290 806625478 /nfs/dbraw/zinc/62/54/78/806625478.db2.gz ZBIGKEKKQRDILN-LBPRGKRZSA-N 2 2 252.362 0.976 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001278036271 806625529 /nfs/dbraw/zinc/62/55/29/806625529.db2.gz YUPKAWCXYOKNAV-NWDGAFQWSA-N 2 2 268.361 0.355 20 0 CCADLP [NH3+]CC[C@H]1CCN(C(=O)NCCCn2cc[nH+]c2)C1 ZINC001120563619 798866709 /nfs/dbraw/zinc/86/67/09/798866709.db2.gz UNPLOHCQPRWXQJ-LBPRGKRZSA-N 2 2 265.361 0.654 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)Nc1cc[nH+]c(N)n1 ZINC001120962863 798969665 /nfs/dbraw/zinc/96/96/65/798969665.db2.gz LQDDWWNAWAXAIS-SNVBAGLBSA-N 2 2 251.334 0.582 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@H]2[NH2+]CC23CCCC3)CC1 ZINC001121910940 799090348 /nfs/dbraw/zinc/09/03/48/799090348.db2.gz FHGUHEQEVQDTQP-CQSZACIVSA-N 2 2 295.427 0.699 20 0 CCADLP Cc1cc(C)c(C(=O)N2CCO[C@@H](C[NH3+])C2)c(C)[nH+]1 ZINC001121931274 799098813 /nfs/dbraw/zinc/09/88/13/799098813.db2.gz JDBCJRYXGPGJDL-LBPRGKRZSA-N 2 2 263.341 0.807 20 0 CCADLP Cc1sc(C[NH3+])nc1C(=O)NCCCn1cc[nH+]c1 ZINC001121975997 799111378 /nfs/dbraw/zinc/11/13/78/799111378.db2.gz YYQBVBHPIRFCOF-UHFFFAOYSA-N 2 2 279.369 0.927 20 0 CCADLP CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@@H]1CC[NH2+]C1 ZINC001122134744 799151121 /nfs/dbraw/zinc/15/11/21/799151121.db2.gz YCVLWBQHFIZWSY-CMPLNLGQSA-N 2 2 250.346 0.799 20 0 CCADLP CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@@H]1CC[NH2+]C1 ZINC001122134744 799151123 /nfs/dbraw/zinc/15/11/23/799151123.db2.gz YCVLWBQHFIZWSY-CMPLNLGQSA-N 2 2 250.346 0.799 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001122133990 799151142 /nfs/dbraw/zinc/15/11/42/799151142.db2.gz KZNAYKNWWIJQJO-QMMMGPOBSA-N 2 2 258.272 0.313 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1([NH3+])CCOCC1 ZINC001122165880 799159622 /nfs/dbraw/zinc/15/96/22/799159622.db2.gz LCESQVHAYNKVSD-SNVBAGLBSA-N 2 2 266.345 0.212 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1([NH3+])CCOCC1 ZINC001122165880 799159625 /nfs/dbraw/zinc/15/96/25/799159625.db2.gz LCESQVHAYNKVSD-SNVBAGLBSA-N 2 2 266.345 0.212 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]([NH3+])C(C)C ZINC001122254639 799180518 /nfs/dbraw/zinc/18/05/18/799180518.db2.gz PSCHARHDPQRJEO-VXGBXAGGSA-N 2 2 257.378 0.197 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CC1([NH3+])CC1 ZINC001122525965 799256577 /nfs/dbraw/zinc/25/65/77/799256577.db2.gz MNNRIFNYHLSGKX-NSHDSACASA-N 2 2 255.362 0.047 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC001123801291 799477472 /nfs/dbraw/zinc/47/74/72/799477472.db2.gz LEHMOBUXOJSPPX-YABSGUDNSA-N 2 2 262.357 0.371 20 0 CCADLP C[N@H+](CC(=O)N1CCOCC1)Cc1cccc2c[nH+]cn21 ZINC001238103964 806750888 /nfs/dbraw/zinc/75/08/88/806750888.db2.gz PETULWQCNLFBMQ-UHFFFAOYSA-N 2 2 288.351 0.625 20 0 CCADLP C[N@@H+](CC(=O)N1CCOCC1)Cc1cccc2c[nH+]cn21 ZINC001238103964 806750891 /nfs/dbraw/zinc/75/08/91/806750891.db2.gz PETULWQCNLFBMQ-UHFFFAOYSA-N 2 2 288.351 0.625 20 0 CCADLP C[C@H](C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21)n1cc[nH+]c1 ZINC001124108496 799560433 /nfs/dbraw/zinc/56/04/33/799560433.db2.gz BFHVJWLQYHXSOA-MROQNXINSA-N 2 2 262.357 0.901 20 0 CCADLP C[C@H](C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21)n1cc[nH+]c1 ZINC001124108496 799560436 /nfs/dbraw/zinc/56/04/36/799560436.db2.gz BFHVJWLQYHXSOA-MROQNXINSA-N 2 2 262.357 0.901 20 0 CCADLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@H](O)CO ZINC001139054475 799775723 /nfs/dbraw/zinc/77/57/23/799775723.db2.gz CHOFWIRWUYTMEG-INIZCTEOSA-N 2 2 294.395 0.304 20 0 CCADLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@H](O)CO ZINC001139054475 799775727 /nfs/dbraw/zinc/77/57/27/799775727.db2.gz CHOFWIRWUYTMEG-INIZCTEOSA-N 2 2 294.395 0.304 20 0 CCADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001140021710 799870708 /nfs/dbraw/zinc/87/07/08/799870708.db2.gz PFASVJOUHFIWAU-GOEBONIOSA-N 2 2 287.363 0.966 20 0 CCADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001140021710 799870717 /nfs/dbraw/zinc/87/07/17/799870717.db2.gz PFASVJOUHFIWAU-GOEBONIOSA-N 2 2 287.363 0.966 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]CCCF ZINC001149559586 800277231 /nfs/dbraw/zinc/27/72/31/800277231.db2.gz UFDWEIUQRNGAIU-UHFFFAOYSA-N 2 2 256.325 0.418 20 0 CCADLP CC(C)[N@@H+]1CCCO[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001149828556 800301067 /nfs/dbraw/zinc/30/10/67/800301067.db2.gz SYEOIISDWNRJSL-CQSZACIVSA-N 2 2 294.399 0.958 20 0 CCADLP CC(C)[N@H+]1CCCO[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001149828556 800301075 /nfs/dbraw/zinc/30/10/75/800301075.db2.gz SYEOIISDWNRJSL-CQSZACIVSA-N 2 2 294.399 0.958 20 0 CCADLP CC(C)[N@@H+]1CCCO[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001149828556 800301083 /nfs/dbraw/zinc/30/10/83/800301083.db2.gz SYEOIISDWNRJSL-CQSZACIVSA-N 2 2 294.399 0.958 20 0 CCADLP CC(C)[N@H+]1CCCO[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001149828556 800301089 /nfs/dbraw/zinc/30/10/89/800301089.db2.gz SYEOIISDWNRJSL-CQSZACIVSA-N 2 2 294.399 0.958 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1C[N@H+](CCCF)CCCO1 ZINC001150373663 800332638 /nfs/dbraw/zinc/33/26/38/800332638.db2.gz ZOUQTFMRDBLNBP-ZDUSSCGKSA-N 2 2 298.362 0.519 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1C[N@@H+](CCCF)CCCO1 ZINC001150373663 800332645 /nfs/dbraw/zinc/33/26/45/800332645.db2.gz ZOUQTFMRDBLNBP-ZDUSSCGKSA-N 2 2 298.362 0.519 20 0 CCADLP CC[N@@H+]1CCCO[C@@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001150662720 800356300 /nfs/dbraw/zinc/35/63/00/800356300.db2.gz CUFYSQQTAAXTRB-AWEZNQCLSA-N 2 2 294.399 0.580 20 0 CCADLP CC[N@H+]1CCCO[C@@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001150662720 800356306 /nfs/dbraw/zinc/35/63/06/800356306.db2.gz CUFYSQQTAAXTRB-AWEZNQCLSA-N 2 2 294.399 0.580 20 0 CCADLP CCc1noc([C@H](C)[NH2+]CCNC(=O)C[NH+]2CCCC2)n1 ZINC001151107459 800399178 /nfs/dbraw/zinc/39/91/78/800399178.db2.gz VXFAQRLANLPJNL-NSHDSACASA-N 2 2 295.387 0.495 20 0 CCADLP Cc1cnc([C@@H](C)[NH2+]CCNC(=O)Cn2cc[nH+]c2C)o1 ZINC001151114226 800401074 /nfs/dbraw/zinc/40/10/74/800401074.db2.gz GDXZQWKYZGKHGV-LLVKDONJSA-N 2 2 291.355 0.955 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[NH2+]Cc1cscn1 ZINC001151121340 800401443 /nfs/dbraw/zinc/40/14/43/800401443.db2.gz FXDHKWLCVBWSDU-UHFFFAOYSA-N 2 2 279.369 0.554 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[NH2+][C@H](C)c1csnn1 ZINC001151121530 800401512 /nfs/dbraw/zinc/40/15/12/800401512.db2.gz HSFRYYDQBIOJLV-SECBINFHSA-N 2 2 294.384 0.510 20 0 CCADLP C[NH+](C)C[C@H]1COCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001151972426 800474350 /nfs/dbraw/zinc/47/43/50/800474350.db2.gz XSBNQUKCVWNKLA-LBPRGKRZSA-N 2 2 288.351 0.966 20 0 CCADLP CC[N@@H+](CCO)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153114454 800597689 /nfs/dbraw/zinc/59/76/89/800597689.db2.gz DMIVOQUEGSTFTC-LLVKDONJSA-N 2 2 268.361 0.161 20 0 CCADLP CC[N@H+](CCO)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153114454 800597684 /nfs/dbraw/zinc/59/76/84/800597684.db2.gz DMIVOQUEGSTFTC-LLVKDONJSA-N 2 2 268.361 0.161 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NCC[NH2+]Cc1cnns1 ZINC001153344694 800624553 /nfs/dbraw/zinc/62/45/53/800624553.db2.gz HALYNJWNUZXHDP-UHFFFAOYSA-N 2 2 294.384 0.421 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NCC[NH2+]CC1CCOCC1 ZINC001153350883 800624831 /nfs/dbraw/zinc/62/48/31/800624831.db2.gz MTDFMQLJXWPUOD-UHFFFAOYSA-N 2 2 294.399 0.796 20 0 CCADLP Cc1cnc([C@@H](C)[NH2+]CCNC(=O)Cn2cc[nH+]c2)cn1 ZINC001153495579 800635151 /nfs/dbraw/zinc/63/51/51/800635151.db2.gz KOJOXANKJDMEDJ-GFCCVEGCSA-N 2 2 288.355 0.449 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CC[C@@H]1CCOC1 ZINC001153495474 800635944 /nfs/dbraw/zinc/63/59/44/800635944.db2.gz KDCXGZOUTSZXGB-GFCCVEGCSA-N 2 2 266.345 0.016 20 0 CCADLP Cc1ncc(F)c(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)n1 ZINC001155373017 800961727 /nfs/dbraw/zinc/96/17/27/800961727.db2.gz LWULWWHQRZTBJC-GFCCVEGCSA-N 2 2 279.363 0.783 20 0 CCADLP CC[N@H+](CCOC)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155469935 800983001 /nfs/dbraw/zinc/98/30/01/800983001.db2.gz KRYSEKKDFTUVNC-LLVKDONJSA-N 2 2 268.361 0.425 20 0 CCADLP CC[N@@H+](CCOC)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155469935 800983003 /nfs/dbraw/zinc/98/30/03/800983003.db2.gz KRYSEKKDFTUVNC-LLVKDONJSA-N 2 2 268.361 0.425 20 0 CCADLP CCCc1cc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)nc(C)[nH+]1 ZINC001155575551 801012294 /nfs/dbraw/zinc/01/22/94/801012294.db2.gz MFFZEISBJPYRKZ-RISCZKNCSA-N 2 2 275.356 0.728 20 0 CCADLP CCCc1cc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)nc(C)[nH+]1 ZINC001155575549 801013044 /nfs/dbraw/zinc/01/30/44/801013044.db2.gz MFFZEISBJPYRKZ-BXUZGUMPSA-N 2 2 275.356 0.728 20 0 CCADLP CCc1cc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)nc(C)[nH+]1 ZINC001155576225 801013506 /nfs/dbraw/zinc/01/35/06/801013506.db2.gz PEWQBOBMDQHOAX-ZWNOBZJWSA-N 2 2 261.329 0.337 20 0 CCADLP Cc1nc(-n2cncn2)cc(N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)[nH+]1 ZINC001156400793 801161186 /nfs/dbraw/zinc/16/11/86/801161186.db2.gz CKGQIHRACZIWOV-IUODEOHRSA-N 2 2 299.382 0.754 20 0 CCADLP Nc1cc(CNc2cc(C3C[NH2+]C3)ncn2)cc[nH+]1 ZINC001156764122 801232840 /nfs/dbraw/zinc/23/28/40/801232840.db2.gz TYTJKDBBBUGUQG-UHFFFAOYSA-N 2 2 256.313 0.753 20 0 CCADLP CCOCC[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157279870 801341815 /nfs/dbraw/zinc/34/18/15/801341815.db2.gz MKIRVIOVZDKCGQ-UHFFFAOYSA-N 2 2 268.361 0.475 20 0 CCADLP N[C@@H](C[NH3+])C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001157609897 801432107 /nfs/dbraw/zinc/43/21/07/801432107.db2.gz LBTVOCFTKYOHPO-SZTZYQKNSA-N 2 2 288.395 0.130 20 0 CCADLP O=C(N1CCCC(F)(F)CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157708056 801460798 /nfs/dbraw/zinc/46/07/98/801460798.db2.gz HCPYUGPIZCBUJY-ZWNOBZJWSA-N 2 2 273.327 0.586 20 0 CCADLP COc1ncnc(NC(=[NH2+])N2CC[NH+](C)CC2)c1C ZINC001157914375 801518625 /nfs/dbraw/zinc/51/86/25/801518625.db2.gz FDGVMDYQXOEUCJ-UHFFFAOYSA-N 2 2 264.333 0.388 20 0 CCADLP C[C@]1(F)CCCCN(C(=O)C2([NH3+])CC[NH2+]CC2)C1 ZINC001157915748 801521047 /nfs/dbraw/zinc/52/10/47/801521047.db2.gz VOQLYKAWFVADIM-LBPRGKRZSA-N 2 2 257.353 0.808 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[C@@](C)(F)[C@@H](F)C1 ZINC001157922523 801522373 /nfs/dbraw/zinc/52/23/73/801522373.db2.gz QCQXLJJWFJEPHD-GMXVVIOVSA-N 2 2 286.326 0.589 20 0 CCADLP C[C@]1(CF)CC(F)(F)CN1C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157952892 801538981 /nfs/dbraw/zinc/53/89/81/801538981.db2.gz XUAHEQHFBOQEII-XWIASGKRSA-N 2 2 291.317 0.534 20 0 CCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CC1CCCC1 ZINC001157999776 801550626 /nfs/dbraw/zinc/55/06/26/801550626.db2.gz UKNGJGXAOLKMKI-QWHCGFSZSA-N 2 2 297.399 0.258 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC2(CCC[NH2+]2)CC1 ZINC001158168471 801581506 /nfs/dbraw/zinc/58/15/06/801581506.db2.gz GAQASIAFUXFEIV-ZDUSSCGKSA-N 3 2 291.399 0.035 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC12CCCC2 ZINC001158178953 801583912 /nfs/dbraw/zinc/58/39/12/801583912.db2.gz FAAQZFFBPMMWFT-LBPRGKRZSA-N 2 2 262.357 0.835 20 0 CCADLP Cc1nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc2ccccc12 ZINC001158203697 801591783 /nfs/dbraw/zinc/59/17/83/801591783.db2.gz GITGOCCPXQBZDA-LLVKDONJSA-N 2 2 283.335 0.986 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncnc2c1ncn2C1CC1 ZINC001158208981 801595747 /nfs/dbraw/zinc/59/57/47/801595747.db2.gz BZKMLRMINXNEKR-SECBINFHSA-N 2 2 299.338 0.209 20 0 CCADLP CC(C)Oc1nccnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158209121 801596314 /nfs/dbraw/zinc/59/63/14/801596314.db2.gz GVZHGFPSWWXQBH-SNVBAGLBSA-N 2 2 277.328 0.312 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nccnc1OC1CCC1 ZINC001158209588 801597104 /nfs/dbraw/zinc/59/71/04/801597104.db2.gz YYKQEEOGKKDUOU-SNVBAGLBSA-N 2 2 289.339 0.456 20 0 CCADLP COc1ncc(Cl)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158209518 801597522 /nfs/dbraw/zinc/59/75/22/801597522.db2.gz WMKZSYSVSRHQOM-SSDOTTSWSA-N 2 2 283.719 0.186 20 0 CCADLP Cc1cnc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)c(C[NH3+])c1 ZINC001158260425 801609173 /nfs/dbraw/zinc/60/91/73/801609173.db2.gz DSOOYOFYSPSKSY-AWEZNQCLSA-N 3 2 289.427 0.851 20 0 CCADLP Cc1cnc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)c(C[NH3+])c1 ZINC001158260425 801609174 /nfs/dbraw/zinc/60/91/74/801609174.db2.gz DSOOYOFYSPSKSY-AWEZNQCLSA-N 3 2 289.427 0.851 20 0 CCADLP C[N@H+](CCO)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001158296331 801615640 /nfs/dbraw/zinc/61/56/40/801615640.db2.gz LGOPHLVUABHTJT-CQSZACIVSA-N 2 2 294.399 0.578 20 0 CCADLP C[N@@H+](CCO)C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001158296331 801615643 /nfs/dbraw/zinc/61/56/43/801615643.db2.gz LGOPHLVUABHTJT-CQSZACIVSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@@]1(C[NH3+])CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001158675842 801681573 /nfs/dbraw/zinc/68/15/73/801681573.db2.gz UOQNDMANEODXGA-HNNXBMFYSA-N 2 2 291.399 0.878 20 0 CCADLP C[C@@]1(C[NH3+])CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001158675842 801681574 /nfs/dbraw/zinc/68/15/74/801681574.db2.gz UOQNDMANEODXGA-HNNXBMFYSA-N 2 2 291.399 0.878 20 0 CCADLP Cc1cnc(NC[C@@H]2COCC[N@H+]2C)c(C[NH3+])c1 ZINC001158707940 801689334 /nfs/dbraw/zinc/68/93/34/801689334.db2.gz UZLWMTXQFAIWFM-GFCCVEGCSA-N 2 2 250.346 0.591 20 0 CCADLP Cc1cnc(NC[C@@H]2COCC[N@@H+]2C)c(C[NH3+])c1 ZINC001158707940 801689339 /nfs/dbraw/zinc/68/93/39/801689339.db2.gz UZLWMTXQFAIWFM-GFCCVEGCSA-N 2 2 250.346 0.591 20 0 CCADLP CCOC(=O)Cc1cc[nH+]c(N[C@@H](C)[C@@H]2C[NH2+]CCO2)c1 ZINC001159500488 801824799 /nfs/dbraw/zinc/82/47/99/801824799.db2.gz DCJSDJAVQCTYFW-AAEUAGOBSA-N 2 2 293.367 0.976 20 0 CCADLP CN(CC1COC1)C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001160647850 801988674 /nfs/dbraw/zinc/98/86/74/801988674.db2.gz WBHANVIULQOTLO-CYBMUJFWSA-N 2 2 263.341 0.364 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC[C@H]2c2nccs2)C1 ZINC001160685789 801999862 /nfs/dbraw/zinc/99/98/62/801999862.db2.gz FVNHDIVFQCPVRT-UTLUCORTSA-N 2 2 266.370 0.496 20 0 CCADLP COc1ccc([C@H](C)N(C)C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc1 ZINC001160686031 802000339 /nfs/dbraw/zinc/00/03/39/802000339.db2.gz MGWNKBMOWZXKMD-BPNCWPANSA-N 2 2 277.368 0.761 20 0 CCADLP N[C@@]1(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CCC[NH2+]C1 ZINC001160693378 802003793 /nfs/dbraw/zinc/00/37/93/802003793.db2.gz LXHODKTXUATVFM-FZMZJTMJSA-N 2 2 277.372 0.197 20 0 CCADLP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001160693732 802003811 /nfs/dbraw/zinc/00/38/11/802003811.db2.gz OYHDZPCFRPJANU-QWRGUYRKSA-N 3 2 297.428 0.135 20 0 CCADLP C[C@@H]1CO[C@@H]2CN(C(=O)c3ccc([C@H]([NH3+])C[NH3+])cc3)C[C@H]12 ZINC001160756283 802015230 /nfs/dbraw/zinc/01/52/30/802015230.db2.gz JBQCUGIZSPIUGF-JUDXGUMMSA-N 2 2 289.379 0.752 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCc3[nH+]ccn3CC2)C1 ZINC001160759832 802017371 /nfs/dbraw/zinc/01/73/71/802017371.db2.gz APNNYHUBVACPRB-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP COC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001160909420 802046766 /nfs/dbraw/zinc/04/67/66/802046766.db2.gz WHOSELHBHCMDQC-ZGVCCVRISA-N 2 2 278.356 0.448 20 0 CCADLP CN(CCC(=O)c1cccs1)C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001160928928 802048028 /nfs/dbraw/zinc/04/80/28/802048028.db2.gz MBCNYEOEYOKSGP-UHFFFAOYSA-N 2 2 295.408 0.860 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1CNc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001161042594 802074212 /nfs/dbraw/zinc/07/42/12/802074212.db2.gz NDSLWXXULLHFLP-DGCLKSJQSA-N 2 2 290.367 0.712 20 0 CCADLP Nc1ccc2c(c1)CN(C(=O)[C@@]13CC[C@@H]([NH2+]1)[C@H]([NH3+])C3)CC2 ZINC001161077521 802082431 /nfs/dbraw/zinc/08/24/31/802082431.db2.gz WFXYEGBRUPSOMD-FMKPAKJESA-N 2 2 286.379 0.375 20 0 CCADLP Nc1ccc2c(c1)CN(C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)CC2 ZINC001161075866 802083170 /nfs/dbraw/zinc/08/31/70/802083170.db2.gz SDXFPCLCHJMADY-CQSZACIVSA-N 2 2 285.351 0.447 20 0 CCADLP CCCCC[C@H]([NH2+]C)C(=O)N1CC[C@]([NH3+])(C(=O)OC)C1 ZINC001161139344 802100010 /nfs/dbraw/zinc/10/00/10/802100010.db2.gz RHIMVOIFERRILI-SMDDNHRTSA-N 2 2 285.388 0.258 20 0 CCADLP C[C@@H](CC[NH+](C)C)C(=O)NCCc1cn(C)c[nH+]1 ZINC001161166523 802104374 /nfs/dbraw/zinc/10/43/74/802104374.db2.gz AIDKHKHYABEKKS-NSHDSACASA-N 2 2 252.362 0.667 20 0 CCADLP COCC[NH2+]CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001161314706 802124077 /nfs/dbraw/zinc/12/40/77/802124077.db2.gz HQKQXVBQBHEHKN-LBPRGKRZSA-N 2 2 280.372 0.188 20 0 CCADLP COCCC[NH2+]CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001161310816 802124319 /nfs/dbraw/zinc/12/43/19/802124319.db2.gz ZCUTZHOWZNCSSE-CYBMUJFWSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@H]1C(=O)CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C12CCCC2 ZINC001161517510 802168425 /nfs/dbraw/zinc/16/84/25/802168425.db2.gz RQBXOZKLAXRYAO-TUAOUCFPSA-N 2 2 279.384 0.426 20 0 CCADLP Cc1c[nH]c2nc(N[C@@H](C)CN3CC[NH2+]CC3)[nH+]cc12 ZINC001162090840 802273551 /nfs/dbraw/zinc/27/35/51/802273551.db2.gz XWJBMMRWKHVBOK-NSHDSACASA-N 2 2 274.372 0.924 20 0 CCADLP CS(=O)(=O)N(CC[NH3+])c1ccc(F)c(-n2cc[nH+]c2)c1 ZINC001162134058 802281498 /nfs/dbraw/zinc/28/14/98/802281498.db2.gz JQTHZUMGUOKMKK-UHFFFAOYSA-N 2 2 298.343 0.736 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCCC[NH2+]Cc1ccon1 ZINC001162611280 802379014 /nfs/dbraw/zinc/37/90/14/802379014.db2.gz IDCAECFLZHBYRK-UHFFFAOYSA-N 2 2 277.328 0.476 20 0 CCADLP CCOC(=O)C1CCC([NH2+]C2(C[NH3+])COC2)CC1 ZINC001255251846 808337233 /nfs/dbraw/zinc/33/72/33/808337233.db2.gz LDPALGFKMYFSDE-UHFFFAOYSA-N 2 2 256.346 0.426 20 0 CCADLP C/C(=C\C=C\N)[NH2+]Cc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001163118260 802486424 /nfs/dbraw/zinc/48/64/24/802486424.db2.gz PFGADZUOIMOKGG-MQDUBEMKSA-N 2 2 275.356 0.202 20 0 CCADLP Nc1cn2ccc(NC[C@H]3OC[C@H]4C[NH2+]CC[C@H]43)cc2[nH+]1 ZINC001163170745 802500909 /nfs/dbraw/zinc/50/09/09/802500909.db2.gz GYZMEFGSVHVHFJ-RAIGVLPGSA-N 2 2 287.367 0.953 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCC[NH2+]CCOCC1CC1 ZINC001163594022 802574173 /nfs/dbraw/zinc/57/41/73/802574173.db2.gz RRTLVMXOFVIJQX-UHFFFAOYSA-N 2 2 294.399 0.796 20 0 CCADLP C[NH+](C)C1(CNc2cn3ncnc3cn2)CC[NH+](C)CC1 ZINC001164212064 802688770 /nfs/dbraw/zinc/68/87/70/802688770.db2.gz XFQYRXIEUGKDIQ-UHFFFAOYSA-N 2 2 289.387 0.562 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCCC1(C[NH2+]CCCO)CC1 ZINC001164334829 802726265 /nfs/dbraw/zinc/72/62/65/802726265.db2.gz KKFMGCMGBIJHTR-UHFFFAOYSA-N 2 2 294.399 0.601 20 0 CCADLP Cc1nc([C@@H](C)[NH2+]CCCNC(=O)CCC[NH+](C)C)no1 ZINC001165360919 802826889 /nfs/dbraw/zinc/82/68/89/802826889.db2.gz VVYJNZMSTOPVIW-LLVKDONJSA-N 2 2 297.403 0.877 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1CC[NH2+]CCCO ZINC001104840015 811739935 /nfs/dbraw/zinc/73/99/35/811739935.db2.gz SUIDBTPVNYEVOW-CHWSQXEVSA-N 2 2 294.399 0.409 20 0 CCADLP O=C(NCCC1(C[NH2+]CCO)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001165594285 802853688 /nfs/dbraw/zinc/85/36/88/802853688.db2.gz YHGOWXHARCCWPB-VXGBXAGGSA-N 2 2 292.383 0.382 20 0 CCADLP O=C(NCCC1(C[NH2+]CCO)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001165594285 802853692 /nfs/dbraw/zinc/85/36/92/802853692.db2.gz YHGOWXHARCCWPB-VXGBXAGGSA-N 2 2 292.383 0.382 20 0 CCADLP COCC[NH2+]CCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001166402636 802905111 /nfs/dbraw/zinc/90/51/11/802905111.db2.gz RHEUGASPXHYCGX-LLVKDONJSA-N 2 2 280.372 0.572 20 0 CCADLP CC1(C[NH3+])C[NH+](Cc2ccc(OCC(N)=O)cc2)C1 ZINC001206718646 802963658 /nfs/dbraw/zinc/96/36/58/802963658.db2.gz XIFWDGWOZUTCCF-UHFFFAOYSA-N 2 2 263.341 0.331 20 0 CCADLP COCCCC[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001204084627 803064655 /nfs/dbraw/zinc/06/46/55/803064655.db2.gz WYASNAIQSRSTPS-UHFFFAOYSA-N 2 2 294.399 0.890 20 0 CCADLP CNC(=O)C1CC[NH+](C[C@@H]2C[NH2+]C(C)(C)O2)CC1 ZINC001204691375 803097532 /nfs/dbraw/zinc/09/75/32/803097532.db2.gz CROJBTIXJDBABR-NSHDSACASA-N 2 2 255.362 0.169 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC3(CNC(=O)C3)CC2)O1 ZINC001204748974 803098899 /nfs/dbraw/zinc/09/88/99/803098899.db2.gz VFPWOIPPWLWUOZ-NSHDSACASA-N 2 2 267.373 0.313 20 0 CCADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205664959 803153384 /nfs/dbraw/zinc/15/33/84/803153384.db2.gz PVSAKMWQPPYRNK-JHJVBQTASA-N 3 2 291.386 0.653 20 0 CCADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205664959 803153386 /nfs/dbraw/zinc/15/33/86/803153386.db2.gz PVSAKMWQPPYRNK-JHJVBQTASA-N 3 2 291.386 0.653 20 0 CCADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1C[C@@H]2COC[C@@H]21 ZINC001205933295 803187445 /nfs/dbraw/zinc/18/74/45/803187445.db2.gz RRRHWCGVUDSLFH-RFGFWPKPSA-N 2 2 254.374 0.458 20 0 CCADLP OCCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1C[C@@H]2COC[C@@H]21 ZINC001205933295 803187449 /nfs/dbraw/zinc/18/74/49/803187449.db2.gz RRRHWCGVUDSLFH-RFGFWPKPSA-N 2 2 254.374 0.458 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](Cc2c[nH]c(=O)c3ccccc23)C[C@H]1O ZINC001205967649 803193005 /nfs/dbraw/zinc/19/30/05/803193005.db2.gz TWOAQRFAUVJAPD-ZIAGYGMSSA-N 2 2 273.336 0.834 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](Cc2c[nH]c(=O)c3ccccc23)C[C@H]1O ZINC001205967649 803193007 /nfs/dbraw/zinc/19/30/07/803193007.db2.gz TWOAQRFAUVJAPD-ZIAGYGMSSA-N 2 2 273.336 0.834 20 0 CCADLP CC(=O)Nc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205973401 803194685 /nfs/dbraw/zinc/19/46/85/803194685.db2.gz QMCHWWNUFVWVRK-TZMCWYRMSA-N 2 2 263.341 0.539 20 0 CCADLP CC(=O)Nc1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205973401 803194686 /nfs/dbraw/zinc/19/46/86/803194686.db2.gz QMCHWWNUFVWVRK-TZMCWYRMSA-N 2 2 263.341 0.539 20 0 CCADLP Cn1nccc1C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001206315762 803227240 /nfs/dbraw/zinc/22/72/40/803227240.db2.gz JSIBHLXHOMTJCS-UHFFFAOYSA-N 2 2 251.378 0.099 20 0 CCADLP [NH3+]C[C@@]1(F)CCCC[N@H+](CC[C@H]2C[NH2+]CCO2)C1 ZINC001206338208 803232172 /nfs/dbraw/zinc/23/21/72/803232172.db2.gz YFNNQCJCLNERHB-STQMWFEESA-N 3 2 259.369 0.518 20 0 CCADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](CC[C@H]2C[NH2+]CCO2)C1 ZINC001206338208 803232174 /nfs/dbraw/zinc/23/21/74/803232174.db2.gz YFNNQCJCLNERHB-STQMWFEESA-N 3 2 259.369 0.518 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC(C[NH2+]CCCO)CC1 ZINC001206411446 803238626 /nfs/dbraw/zinc/23/86/26/803238626.db2.gz RYLQYISKUSCHAB-UHFFFAOYSA-N 2 2 280.372 0.163 20 0 CCADLP Cc1c(CN2C[C@@H](O)[C@@H](C[NH3+])C2)[nH+]c2ccccn12 ZINC001206463772 803247513 /nfs/dbraw/zinc/24/75/13/803247513.db2.gz FLVVNVSANKBVSJ-WCQYABFASA-N 2 2 260.341 0.394 20 0 CCADLP CSc1cc(C)c(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cn1 ZINC001206481477 803251294 /nfs/dbraw/zinc/25/12/94/803251294.db2.gz VFIITLBDXGZTFG-CMPLNLGQSA-N 2 2 267.398 0.863 20 0 CCADLP CSc1cc(C)c(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cn1 ZINC001206481477 803251301 /nfs/dbraw/zinc/25/13/01/803251301.db2.gz VFIITLBDXGZTFG-CMPLNLGQSA-N 2 2 267.398 0.863 20 0 CCADLP COc1cc(F)c(C)cc1C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206500219 803255543 /nfs/dbraw/zinc/25/55/43/803255543.db2.gz IIHDCHZNOJHUIE-WCQYABFASA-N 2 2 268.332 0.894 20 0 CCADLP COc1cc(F)c(C)cc1C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206500219 803255548 /nfs/dbraw/zinc/25/55/48/803255548.db2.gz IIHDCHZNOJHUIE-WCQYABFASA-N 2 2 268.332 0.894 20 0 CCADLP Cc1ccc2ncc(C[N@@H+]3C[C@H](O)[C@@H](C[NH3+])C3)n2c1 ZINC001206518648 803257290 /nfs/dbraw/zinc/25/72/90/803257290.db2.gz CCYMPTWWLWZQTL-AAEUAGOBSA-N 2 2 260.341 0.394 20 0 CCADLP Cc1ccc2ncc(C[N@H+]3C[C@H](O)[C@@H](C[NH3+])C3)n2c1 ZINC001206518648 803257297 /nfs/dbraw/zinc/25/72/97/803257297.db2.gz CCYMPTWWLWZQTL-AAEUAGOBSA-N 2 2 260.341 0.394 20 0 CCADLP Cc1ccc2[nH+]cc(CN3C[C@H](O)[C@@H](C[NH3+])C3)n2c1 ZINC001206518648 803257299 /nfs/dbraw/zinc/25/72/99/803257299.db2.gz CCYMPTWWLWZQTL-AAEUAGOBSA-N 2 2 260.341 0.394 20 0 CCADLP C[NH+](C)CC(C)(C)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC001207279618 803377088 /nfs/dbraw/zinc/37/70/88/803377088.db2.gz MLOXTDXPYGLXCY-ZDUSSCGKSA-N 2 2 255.406 0.591 20 0 CCADLP C[NH+](C)CC(C)(C)C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC001207279618 803377092 /nfs/dbraw/zinc/37/70/92/803377092.db2.gz MLOXTDXPYGLXCY-ZDUSSCGKSA-N 2 2 255.406 0.591 20 0 CCADLP C[N@H+]1C[C@H]2CC[C@@H](C1)N2CC(C)(C)[NH+]1CCOCC1 ZINC001207304453 803380963 /nfs/dbraw/zinc/38/09/63/803380963.db2.gz VPEKWWYAHAPPCX-OKILXGFUSA-N 2 2 267.417 0.876 20 0 CCADLP C[N@@H+]1C[C@H]2CC[C@@H](C1)N2CC(C)(C)[NH+]1CCOCC1 ZINC001207304453 803380972 /nfs/dbraw/zinc/38/09/72/803380972.db2.gz VPEKWWYAHAPPCX-OKILXGFUSA-N 2 2 267.417 0.876 20 0 CCADLP COCCC[NH2+][C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001207925003 803467719 /nfs/dbraw/zinc/46/77/19/803467719.db2.gz VCAFNPXSSXAZQH-ZDUSSCGKSA-N 2 2 294.399 0.959 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001208849136 803549802 /nfs/dbraw/zinc/54/98/02/803549802.db2.gz QVLRNZIOOFQIRS-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP COCC[NH+]1CCC([NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC001209211187 803582030 /nfs/dbraw/zinc/58/20/30/803582030.db2.gz LBPFYNLXUYSLNB-UHFFFAOYSA-N 2 2 297.443 0.897 20 0 CCADLP C[C@@H](CC(=O)N1CCC[C@H]([NH2+]CCCO)C1)n1cc[nH+]c1 ZINC001209865243 803633193 /nfs/dbraw/zinc/63/31/93/803633193.db2.gz DYACVXJLVGDWIZ-KBPBESRZSA-N 2 2 294.399 0.797 20 0 CCADLP C[C@H]1C[C@@H]1c1nnc(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)o1 ZINC001217697163 803902543 /nfs/dbraw/zinc/90/25/43/803902543.db2.gz WJKQNAKQQSCAQB-HGNGGELXSA-N 2 2 290.327 0.102 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Oc2ccc3c(c2C)CC[NH2+]C3)C[NH2+]1 ZINC001218173382 803934059 /nfs/dbraw/zinc/93/40/59/803934059.db2.gz XJVIFSCZEMCCMC-OCCSQVGLSA-N 2 2 290.363 0.923 20 0 CCADLP Cc1cc(C[C@@H](C)NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)on1 ZINC001218500331 803966914 /nfs/dbraw/zinc/96/69/14/803966914.db2.gz HUSOKWBRXDOZDH-PBFTVQBMSA-N 2 2 278.356 0.252 20 0 CCADLP [NH3+]C1(C(=O)Nc2cnc3c(c2)COCC3)CC[NH2+]CC1 ZINC001218502690 803969507 /nfs/dbraw/zinc/96/95/07/803969507.db2.gz WSTBGJXRGWCYNK-UHFFFAOYSA-N 2 2 276.340 0.174 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(Cl)nn1 ZINC001218509649 803974545 /nfs/dbraw/zinc/97/45/45/803974545.db2.gz WUJRSLVZMWWFOD-SSDOTTSWSA-N 2 2 266.692 0.362 20 0 CCADLP COc1ccc2[nH]c(NC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)nc2c1 ZINC001218520665 803984097 /nfs/dbraw/zinc/98/40/97/803984097.db2.gz GTUHQJASMREHOF-HQJQHLMTSA-N 2 2 275.312 0.199 20 0 CCADLP COc1ccnc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)c1 ZINC001218528224 803989253 /nfs/dbraw/zinc/98/92/53/803989253.db2.gz OKMGVWLCPFQUEY-SNVBAGLBSA-N 2 2 261.285 0.322 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)n1 ZINC001218537767 803992984 /nfs/dbraw/zinc/99/29/84/803992984.db2.gz KXQPOLQJNZVMSZ-BQBZGAKWSA-N 2 2 275.139 0.874 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1ncnc2[nH]ccc21 ZINC001218560242 804004936 /nfs/dbraw/zinc/00/49/36/804004936.db2.gz VXYJVRYLZMUSET-UHFFFAOYSA-N 2 2 274.328 0.238 20 0 CCADLP Cc1nc(Br)ccc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218571281 804015381 /nfs/dbraw/zinc/01/53/81/804015381.db2.gz SQKRQKVXILRHSL-APPZFPTMSA-N 2 2 299.172 0.780 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc(-c2ccc(F)cc2)no1 ZINC001218588197 804023174 /nfs/dbraw/zinc/02/31/74/804023174.db2.gz KUKRXJZJYGYERB-QWRGUYRKSA-N 2 2 290.298 0.966 20 0 CCADLP CCOc1ncc(NC(=O)C2([NH3+])CC[NH2+]CC2)cc1F ZINC001218600663 804029643 /nfs/dbraw/zinc/02/96/43/804029643.db2.gz PQROLSCMPBYVGT-UHFFFAOYSA-N 2 2 282.319 0.639 20 0 CCADLP CCOc1cnc(NC(=O)C[NH2+]C2CC[NH2+]CC2)cn1 ZINC001218622328 804038661 /nfs/dbraw/zinc/03/86/61/804038661.db2.gz ZVKPICWECOIGOO-UHFFFAOYSA-N 2 2 279.344 0.155 20 0 CCADLP Cc1nnc2cc(NC(=O)C[NH2+]C3CC[NH2+]CC3)ccn12 ZINC001218699621 804086502 /nfs/dbraw/zinc/08/65/02/804086502.db2.gz NFNTUEJBFQDAFM-UHFFFAOYSA-N 2 2 288.355 0.318 20 0 CCADLP [NH3+]C1(C(=O)Nc2cnc3occc3c2)CC[NH2+]CC1 ZINC001218750574 804109532 /nfs/dbraw/zinc/10/95/32/804109532.db2.gz XCFVTILSCCECQK-UHFFFAOYSA-N 2 2 260.297 0.847 20 0 CCADLP Cc1ccc(Br)nc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218749798 804109801 /nfs/dbraw/zinc/10/98/01/804109801.db2.gz KRHDKJQVTYDLJH-YUMQZZPRSA-N 2 2 299.172 0.638 20 0 CCADLP [NH3+]CCNCC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001218812681 804129272 /nfs/dbraw/zinc/12/92/72/804129272.db2.gz WBHCPNWOTWJSMH-UHFFFAOYSA-N 2 2 259.313 0.359 20 0 CCADLP CN(C)c1ccccc1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218836005 804137052 /nfs/dbraw/zinc/13/70/52/804137052.db2.gz RMXWHMADXKCYPZ-HFAKWTLXSA-N 2 2 274.368 0.913 20 0 CCADLP [NH3+]CCC[C@H]([NH3+])C(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001218849271 804138687 /nfs/dbraw/zinc/13/86/87/804138687.db2.gz XWDQIILWRVRYAB-AWEZNQCLSA-N 3 2 287.367 0.936 20 0 CCADLP [NH3+]C[C@@H](O)CC(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001218848208 804138886 /nfs/dbraw/zinc/13/88/86/804138886.db2.gz OXRHNBIYHYBZAI-ZDUSSCGKSA-N 2 2 274.324 0.580 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cccc(-c2nnco2)c1 ZINC001218861019 804140391 /nfs/dbraw/zinc/14/03/91/804140391.db2.gz BRJFHYURIJSBCM-JTQLQIEISA-N 2 2 261.285 0.351 20 0 CCADLP Cc1cc(N)cc2sc(=N)n(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)c21 ZINC001218953841 804165037 /nfs/dbraw/zinc/16/50/37/804165037.db2.gz DXTQWAAMJRXRHF-BDAKNGLRSA-N 2 2 291.380 0.402 20 0 CCADLP [NH3+]C1(C(=O)Nc2cccc3[nH]c(=O)ccc23)CC[NH2+]CC1 ZINC001218970744 804169677 /nfs/dbraw/zinc/16/96/77/804169677.db2.gz XWYFMMPLXCYYAP-UHFFFAOYSA-N 2 2 286.335 0.960 20 0 CCADLP COC(=O)C1(c2ccc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc2)CC1 ZINC001218975525 804170503 /nfs/dbraw/zinc/17/05/03/804170503.db2.gz PJBXYYWXTXKGSK-LBPRGKRZSA-N 2 2 291.351 0.506 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(C2([NH3+])CCC2)cc1 ZINC001218974727 804171409 /nfs/dbraw/zinc/17/14/09/804171409.db2.gz ZQJVPIJKBDIULW-STQMWFEESA-N 3 2 274.368 0.510 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cc(O)cc(Cl)c2)C1 ZINC001218981177 804173563 /nfs/dbraw/zinc/17/35/63/804173563.db2.gz FJMNPWJNOSOJIQ-XCBNKYQSSA-N 2 2 255.705 0.673 20 0 CCADLP [NH3+]C1(C(=O)Nc2ccc([C@@H]3CC[NH2+]C3)cc2)CC[NH2+]CC1 ZINC001218997092 804180157 /nfs/dbraw/zinc/18/01/57/804180157.db2.gz RGQJDDMZKWKJQJ-CYBMUJFWSA-N 3 2 288.395 0.783 20 0 CCADLP [NH3+]Cc1ccc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)cc1 ZINC001219343605 804278715 /nfs/dbraw/zinc/27/87/15/804278715.db2.gz KNNANGMVFNFSPS-GFCCVEGCSA-N 3 2 259.313 0.377 20 0 CCADLP O=C(NCc1ccc2c(c1)CCC2)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219571124 804353789 /nfs/dbraw/zinc/35/37/89/804353789.db2.gz BJYMRKDLAMCPCS-HRCADAONSA-N 2 2 285.391 0.741 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])CC(=O)NCCc1cn(C)c[nH+]1 ZINC001219634069 804383810 /nfs/dbraw/zinc/38/38/10/804383810.db2.gz MHXCFWQVZATXLV-JQWIXIFHSA-N 2 2 252.362 0.842 20 0 CCADLP CC(C)C[C@@](C)([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC001219695821 804406203 /nfs/dbraw/zinc/40/62/03/804406203.db2.gz ZHBKYQCXAKMZQM-WCQYABFASA-N 2 2 257.378 0.197 20 0 CCADLP CC(C)C[C@@](C)([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC001219695821 804406207 /nfs/dbraw/zinc/40/62/07/804406207.db2.gz ZHBKYQCXAKMZQM-WCQYABFASA-N 2 2 257.378 0.197 20 0 CCADLP [NH3+][C@@H](C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)c1ccccc1 ZINC001219765023 804418708 /nfs/dbraw/zinc/41/87/08/804418708.db2.gz SBLDUILCNOYLQF-VHDGCEQUSA-N 2 2 288.395 0.096 20 0 CCADLP [NH3+][C@@H](C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1)c1ccccc1 ZINC001219765023 804418711 /nfs/dbraw/zinc/41/87/11/804418711.db2.gz SBLDUILCNOYLQF-VHDGCEQUSA-N 2 2 288.395 0.096 20 0 CCADLP [NH3+][C@@H](C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1)c1ccccc1 ZINC001219765023 804418715 /nfs/dbraw/zinc/41/87/15/804418715.db2.gz SBLDUILCNOYLQF-VHDGCEQUSA-N 2 2 288.395 0.096 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001219823004 804429762 /nfs/dbraw/zinc/42/97/62/804429762.db2.gz IFRPSHICMBXMDY-GFCCVEGCSA-N 3 2 294.424 0.350 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCc1ccccc1N ZINC001219925636 804449920 /nfs/dbraw/zinc/44/99/20/804449920.db2.gz QREHKCAIXZSOSZ-ZDUSSCGKSA-N 2 2 273.340 0.189 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H](c1ccccc1)c1ccncc1 ZINC001219948360 804456764 /nfs/dbraw/zinc/45/67/64/804456764.db2.gz SXPQLWGPQFWVNJ-HRCADAONSA-N 2 2 296.374 0.834 20 0 CCADLP C[NH+]1CC(NC(=O)C[C@@H]([NH3+])Cc2c[nH]c3ccccc23)C1 ZINC001220013076 804471076 /nfs/dbraw/zinc/47/10/76/804471076.db2.gz HUMNPAHPPPDOPT-LBPRGKRZSA-N 2 2 286.379 0.858 20 0 CCADLP O=C(NCc1nccc2ccccc21)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220046821 804484279 /nfs/dbraw/zinc/48/42/79/804484279.db2.gz FTMIOGUHPLGBPH-GUYCJALGSA-N 2 2 296.374 0.803 20 0 CCADLP COC(=O)CCCCCNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220047631 804484309 /nfs/dbraw/zinc/48/43/09/804484309.db2.gz AIUGYPKQROGINC-GYSYKLTISA-N 2 2 283.372 0.058 20 0 CCADLP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC001220185324 804530157 /nfs/dbraw/zinc/53/01/57/804530157.db2.gz FWMPIYMEPWKCPV-MNOVXSKESA-N 3 2 292.374 0.064 20 0 CCADLP CC1(C)C[C@H](CNC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)O1 ZINC001220200658 804535712 /nfs/dbraw/zinc/53/57/12/804535712.db2.gz QEVYVYJAVJNURV-OLZOCXBDSA-N 2 2 277.368 0.942 20 0 CCADLP [NH3+]CCN(C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)c1cccnc1 ZINC001220263285 804555034 /nfs/dbraw/zinc/55/50/34/804555034.db2.gz FGZJZDYXCACVSY-HNNXBMFYSA-N 3 2 299.378 0.646 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC001220274488 804557848 /nfs/dbraw/zinc/55/78/48/804557848.db2.gz FAEYOCGGRLAIOV-GFCCVEGCSA-N 2 2 280.372 0.535 20 0 CCADLP [NH3+][C@H](C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1)C1CCCCC1 ZINC001220290989 804563880 /nfs/dbraw/zinc/56/38/80/804563880.db2.gz JHEMCFRVDGJHSZ-OLZOCXBDSA-N 2 2 280.372 0.337 20 0 CCADLP [NH3+][C@H](C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1)C1CCCCC1 ZINC001220290989 804563883 /nfs/dbraw/zinc/56/38/83/804563883.db2.gz JHEMCFRVDGJHSZ-OLZOCXBDSA-N 2 2 280.372 0.337 20 0 CCADLP COc1cc2c(cc1C)C[C@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C2 ZINC001220379209 804587397 /nfs/dbraw/zinc/58/73/97/804587397.db2.gz NVALPYVQHNBSFE-RDBSUJKOSA-N 2 2 289.379 0.276 20 0 CCADLP [NH3+]C1(C(=O)N[C@H]2COCc3ccccc32)CC[NH2+]CC1 ZINC001220658113 804643728 /nfs/dbraw/zinc/64/37/28/804643728.db2.gz OUKZDTNMISAAJZ-ZDUSSCGKSA-N 2 2 275.352 0.455 20 0 CCADLP COC1CCC(CCNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC1 ZINC001220754662 804660443 /nfs/dbraw/zinc/66/04/43/804660443.db2.gz KKWJYYGEIGSCCO-NNVWEFMASA-N 2 2 295.427 0.648 20 0 CCADLP COC1CCC(CCNC(=O)C2([NH3+])CC[NH2+]CC2)CC1 ZINC001220754670 804660954 /nfs/dbraw/zinc/66/09/54/804660954.db2.gz KQZPMRXDRFUHCN-UHFFFAOYSA-N 2 2 283.416 0.779 20 0 CCADLP Cc1noc2ccc(CNC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])cc12 ZINC001220848845 804681812 /nfs/dbraw/zinc/68/18/12/804681812.db2.gz KHSWRRATBAVNBK-RYUDHWBXSA-N 2 2 274.324 0.299 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1CNC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220881705 804688806 /nfs/dbraw/zinc/68/88/06/804688806.db2.gz NNVHRFQGGUUNFX-JHJVBQTASA-N 2 2 291.351 0.184 20 0 CCADLP [NH3+]C1(C(=O)N[C@@H](c2ccnc(F)c2)C2CC2)CC[NH2+]CC1 ZINC001221053765 804725152 /nfs/dbraw/zinc/72/51/52/804725152.db2.gz KNUUINVNTSZBKC-CYBMUJFWSA-N 2 2 292.358 0.869 20 0 CCADLP CC(C)(CNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)CC1CC1 ZINC001221166488 804739570 /nfs/dbraw/zinc/73/95/70/804739570.db2.gz IBRFOKKVSWZEKM-SWLSCSKDSA-N 2 2 265.401 0.880 20 0 CCADLP CCn1cc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)ccc1=O ZINC001221176618 804741246 /nfs/dbraw/zinc/74/12/46/804741246.db2.gz GTCSUPIUZKXPNN-LBPRGKRZSA-N 2 2 289.339 0.110 20 0 CCADLP Cn1ncc2c1cccc2CNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001221305935 804772934 /nfs/dbraw/zinc/77/29/34/804772934.db2.gz IQOUWWFGQJQZMQ-UHFFFAOYSA-N 2 2 287.367 0.270 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@@H]2CCc3c2c(F)ccc3F)C1 ZINC001221363690 804787570 /nfs/dbraw/zinc/78/75/70/804787570.db2.gz PQTRKQWXFYELDC-HFKOZYHYSA-N 2 2 281.306 0.758 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2cccc(C(F)(F)F)n2)C1 ZINC001221394876 804800728 /nfs/dbraw/zinc/80/07/28/804800728.db2.gz WKVZHXDNPXYZSG-APPZFPTMSA-N 2 2 288.273 0.406 20 0 CCADLP COc1ncc(CN2CC[NH2+]C3(CC[NH2+]CC3)C2)cc1F ZINC001222094333 804865640 /nfs/dbraw/zinc/86/56/40/804865640.db2.gz CHJKQCVDHSDKAZ-UHFFFAOYSA-N 2 2 294.374 0.757 20 0 CCADLP C(C[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1)[C@@H]1C[NH2+]CCO1 ZINC001222385234 804897437 /nfs/dbraw/zinc/89/74/37/804897437.db2.gz IHBJVSCGMDWSAS-HUUCEWRRSA-N 3 2 267.417 0.973 20 0 CCADLP C(C[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1)[C@@H]1C[NH2+]CCO1 ZINC001222385234 804897444 /nfs/dbraw/zinc/89/74/44/804897444.db2.gz IHBJVSCGMDWSAS-HUUCEWRRSA-N 3 2 267.417 0.973 20 0 CCADLP C[NH+]1CCN(C(=O)COC2CC[NH+](CCF)CC2)CC1 ZINC001222537215 804913635 /nfs/dbraw/zinc/91/36/35/804913635.db2.gz SWHSIVFLIALPHC-UHFFFAOYSA-N 2 2 287.379 0.211 20 0 CCADLP CC(C)C[N@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001276985957 805062318 /nfs/dbraw/zinc/06/23/18/805062318.db2.gz MRERDSDUBDJMOH-LBPRGKRZSA-N 2 2 250.346 0.730 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC1CC[NH+](CCCO)CC1 ZINC001225173944 805112082 /nfs/dbraw/zinc/11/20/82/805112082.db2.gz BISRCOLRSLJTLE-UHFFFAOYSA-N 2 2 294.399 0.173 20 0 CCADLP CCOCC[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001225676737 805151059 /nfs/dbraw/zinc/15/10/59/805151059.db2.gz NVLYRZPIVMTURZ-UHFFFAOYSA-N 2 2 294.399 0.748 20 0 CCADLP CCOCC[NH2+]C[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001277074312 805163678 /nfs/dbraw/zinc/16/36/78/805163678.db2.gz CUWKOBKSUIWNMJ-JOCQHMNTSA-N 2 2 294.399 0.484 20 0 CCADLP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)S(C)(=O)=O ZINC000697632333 815072703 /nfs/dbraw/zinc/07/27/03/815072703.db2.gz JIAZXKPSOLIHGY-WAAKLRNESA-N 2 2 260.403 0.634 20 0 CCADLP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)S(C)(=O)=O ZINC000697632333 815072706 /nfs/dbraw/zinc/07/27/06/815072706.db2.gz JIAZXKPSOLIHGY-WAAKLRNESA-N 2 2 260.403 0.634 20 0 CCADLP C[C@@H](O)CCC[NH+]1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001229723017 805551659 /nfs/dbraw/zinc/55/16/59/805551659.db2.gz HMWSSMDKZQRKNZ-GFCCVEGCSA-N 2 2 294.399 0.694 20 0 CCADLP OC1C[NH+](Cc2ccc(-c3ncc4c(n3)C[NH2+]CC4)cc2)C1 ZINC001243637006 807039532 /nfs/dbraw/zinc/03/95/32/807039532.db2.gz OAZDORHMUOGJRP-UHFFFAOYSA-N 2 2 296.374 0.966 20 0 CCADLP C[C@@H]1C[NH2+]C[C@@H](C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)C1 ZINC001245987900 807107847 /nfs/dbraw/zinc/10/78/47/807107847.db2.gz CXLCMBPMIOUNAE-AVGNSLFASA-N 3 2 257.422 0.571 20 0 CCADLP C[C@H]1C[NH2+]C[C@H](C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)C1 ZINC001245987901 807107864 /nfs/dbraw/zinc/10/78/64/807107864.db2.gz CXLCMBPMIOUNAE-UPJWGTAASA-N 3 2 257.422 0.571 20 0 CCADLP CC(C)(C)[C@@H](O)C[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001245986360 807108353 /nfs/dbraw/zinc/10/83/53/807108353.db2.gz PCNYAEDLARMQQD-OLZOCXBDSA-N 3 2 269.433 0.857 20 0 CCADLP O[C@H](C[NH2+][C@H]1CC12C[NH2+]C2)c1ccc(F)c(F)c1 ZINC001246008944 807114490 /nfs/dbraw/zinc/11/44/90/807114490.db2.gz ICHAEWMULAWFEU-NEPJUHHUSA-N 2 2 254.280 0.950 20 0 CCADLP C[C@]1([NH3+])CC[N@H+](C[C@@H](O)COCc2ccco2)C1 ZINC001246015847 807117120 /nfs/dbraw/zinc/11/71/20/807117120.db2.gz XZWMVMVQOBYCFX-YPMHNXCESA-N 2 2 254.330 0.580 20 0 CCADLP C[C@]1([NH3+])CC[N@@H+](C[C@@H](O)COCc2ccco2)C1 ZINC001246015847 807117125 /nfs/dbraw/zinc/11/71/25/807117125.db2.gz XZWMVMVQOBYCFX-YPMHNXCESA-N 2 2 254.330 0.580 20 0 CCADLP C[C@@]1([NH3+])CC[N@H+](C[C@@H](O)COCc2ccco2)C1 ZINC001246015844 807117758 /nfs/dbraw/zinc/11/77/58/807117758.db2.gz XZWMVMVQOBYCFX-DGCLKSJQSA-N 2 2 254.330 0.580 20 0 CCADLP C[C@@]1([NH3+])CC[N@@H+](C[C@@H](O)COCc2ccco2)C1 ZINC001246015844 807117760 /nfs/dbraw/zinc/11/77/60/807117760.db2.gz XZWMVMVQOBYCFX-DGCLKSJQSA-N 2 2 254.330 0.580 20 0 CCADLP COc1cccc(OC[C@H](O)C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1 ZINC001246048474 807133628 /nfs/dbraw/zinc/13/36/28/807133628.db2.gz XLLKHYFBTXHULX-ZENOOKHLSA-N 2 2 292.379 0.858 20 0 CCADLP COc1cccc(OC[C@H](O)C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1 ZINC001246048474 807133630 /nfs/dbraw/zinc/13/36/30/807133630.db2.gz XLLKHYFBTXHULX-ZENOOKHLSA-N 2 2 292.379 0.858 20 0 CCADLP CCCOC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001246053496 807135417 /nfs/dbraw/zinc/13/54/17/807135417.db2.gz RNYOCSSEUCOWOD-MXWKQRLJSA-N 2 2 284.322 0.985 20 0 CCADLP CCCOC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001246053496 807135418 /nfs/dbraw/zinc/13/54/18/807135418.db2.gz RNYOCSSEUCOWOD-MXWKQRLJSA-N 2 2 284.322 0.985 20 0 CCADLP [NH3+][C@H]1CC[N@H+](C[C@@H](O)CCOCc2ccccc2)C1 ZINC001246067654 807140227 /nfs/dbraw/zinc/14/02/27/807140227.db2.gz FQNODBBCVCKKDC-GJZGRUSLSA-N 2 2 264.369 0.987 20 0 CCADLP [NH3+][C@H]1CC[N@@H+](C[C@@H](O)CCOCc2ccccc2)C1 ZINC001246067654 807140230 /nfs/dbraw/zinc/14/02/30/807140230.db2.gz FQNODBBCVCKKDC-GJZGRUSLSA-N 2 2 264.369 0.987 20 0 CCADLP C[NH+](C)C1CCC([NH+]2CC(S(C)(=O)=O)C2)CC1 ZINC001168324377 815093999 /nfs/dbraw/zinc/09/39/99/815093999.db2.gz NAQQSLVBMURUTD-UHFFFAOYSA-N 2 2 260.403 0.588 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](C)C[NH2+]2)CN1 ZINC001246102266 807153988 /nfs/dbraw/zinc/15/39/88/807153988.db2.gz CFIMYOLOHCKPII-XUXIUFHCSA-N 2 2 283.416 0.648 20 0 CCADLP F[C@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001246107501 807155616 /nfs/dbraw/zinc/15/56/16/807155616.db2.gz HCRMCSMIOWCTHW-USZNOCQGSA-N 2 2 268.340 0.446 20 0 CCADLP C[C@H]1CC[C@H]([NH2+]C2CCN(C3CC[NH2+]CC3)CC2)C[NH2+]1 ZINC001246136762 807162913 /nfs/dbraw/zinc/16/29/13/807162913.db2.gz DVTQLZAZMNRHCJ-ZFWWWQNUSA-N 3 2 280.460 0.933 20 0 CCADLP C([NH2+][C@H]1C[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246140989 807163445 /nfs/dbraw/zinc/16/34/45/807163445.db2.gz HPWMOLIGWMLNMY-LXTVHRRPSA-N 4 2 278.444 0.448 20 0 CCADLP C([NH2+][C@@H]1C[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246140987 807163979 /nfs/dbraw/zinc/16/39/79/807163979.db2.gz HPWMOLIGWMLNMY-LJISPDSOSA-N 4 2 278.444 0.448 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N[C@@H](C[NH+](C)C)c2ccccc2)C[NH2+]1 ZINC001246168716 807174145 /nfs/dbraw/zinc/17/41/45/807174145.db2.gz GGGXFJIGSLAKJH-ILXRZTDVSA-N 2 2 291.395 0.782 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[NH2+]2)CN1 ZINC001246175897 807176239 /nfs/dbraw/zinc/17/62/39/807176239.db2.gz GWWSPFJQPXPKPJ-SRVKXCTJSA-N 2 2 255.362 0.012 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@]2(C)CCC[NH2+]C2)CN1 ZINC001246186813 807180943 /nfs/dbraw/zinc/18/09/43/807180943.db2.gz DOHULPTVLNIHGD-SGMGOOAPSA-N 2 2 269.389 0.402 20 0 CCADLP CC(C)(C)OC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CCNC(=O)C1 ZINC001246200453 807185411 /nfs/dbraw/zinc/18/54/11/807185411.db2.gz FJNPPTASPDIHKB-NEPJUHHUSA-N 2 2 299.415 0.694 20 0 CCADLP CCC[NH+]1CCC([NH2+]C2CN(C3CC[NH2+]CC3)C2)CC1 ZINC001246215005 807189245 /nfs/dbraw/zinc/18/92/45/807189245.db2.gz MAMUVPISCDPRFC-UHFFFAOYSA-N 3 2 280.460 0.887 20 0 CCADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCN(C3COC3)C2)C[NH2+]1 ZINC001246223824 807191457 /nfs/dbraw/zinc/19/14/57/807191457.db2.gz VILHVGFZLFDIPY-JHJVBQTASA-N 2 2 253.390 0.580 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H](NC2(C(F)(F)F)C[NH2+]C2)C[NH2+]1 ZINC001246255994 807199986 /nfs/dbraw/zinc/19/99/86/807199986.db2.gz ZUYIAXLHCOUTPR-WCBMZHEXSA-N 2 2 295.305 0.164 20 0 CCADLP COc1cccc(C[C@H](C)[NH2+][C@H]2C[NH2+]C[C@@H]2CO)c1 ZINC001246298972 807212070 /nfs/dbraw/zinc/21/20/70/807212070.db2.gz JGCALRGFYKMYIH-LNSITVRQSA-N 2 2 264.369 0.796 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+]CCOc2ccc(C(N)=O)cc2)C[NH2+]1 ZINC001246328324 807223262 /nfs/dbraw/zinc/22/32/62/807223262.db2.gz LACAVRVMZHRXCU-YPMHNXCESA-N 2 2 277.368 0.894 20 0 CCADLP CC[C@@H]1C[C@@H]([NH2+]CCN2CC[NH2+]CC2=O)C[C@H](CC)[NH2+]1 ZINC001246356905 807231584 /nfs/dbraw/zinc/23/15/84/807231584.db2.gz QWKQRENRIHWLRF-BTTYYORXSA-N 3 2 282.432 0.317 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCN(C(=O)C3CC3)C2)C[NH2+]1 ZINC001246354846 807232198 /nfs/dbraw/zinc/23/21/98/807232198.db2.gz ZPDNGZZRMVQTJE-WXHSDQCUSA-N 2 2 251.374 0.727 20 0 CCADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCN2CC[NH2+]CC2=O)CC[NH2+]1 ZINC001246356348 807232473 /nfs/dbraw/zinc/23/24/73/807232473.db2.gz NJHJWBAJDMISOK-STQMWFEESA-N 3 2 282.432 0.175 20 0 CCADLP C[C@@H]1CC[C@@H](N[C@@H]2CC[N@@H+](C3CC[NH2+]CC3)C2)C[NH2+]1 ZINC001246372831 807238102 /nfs/dbraw/zinc/23/81/02/807238102.db2.gz NIGPFTRADOJKGB-MGPQQGTHSA-N 3 2 266.433 0.543 20 0 CCADLP C[C@@H]1CC[C@@H](N[C@@H]2CC[N@H+](C3CC[NH2+]CC3)C2)C[NH2+]1 ZINC001246372831 807238104 /nfs/dbraw/zinc/23/81/04/807238104.db2.gz NIGPFTRADOJKGB-MGPQQGTHSA-N 3 2 266.433 0.543 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N(CC[NH3+])c2ccc(F)cc2)C[NH2+]1 ZINC001246402636 807243183 /nfs/dbraw/zinc/24/31/83/807243183.db2.gz BOABIGBGEFSRAN-STQMWFEESA-N 2 2 281.331 0.494 20 0 CCADLP CCOC(=O)[C@H](N)C[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC001246414820 807247517 /nfs/dbraw/zinc/24/75/17/807247517.db2.gz CFGNMXSBAIQBPC-CYBMUJFWSA-N 2 2 271.405 0.587 20 0 CCADLP COCCC1([NH3+])CC[NH+]([C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246422751 807250337 /nfs/dbraw/zinc/25/03/37/807250337.db2.gz FHIIOLFMHXVYPG-STQMWFEESA-N 3 2 255.406 0.957 20 0 CCADLP [NH3+]C[C@@H]([NH2+][C@H]1CCOC2(C[NH2+]C2)C1)c1ccccc1 ZINC001246506677 807269488 /nfs/dbraw/zinc/26/94/88/807269488.db2.gz INPKYLWANQFCIV-UONOGXRCSA-N 3 2 261.369 0.797 20 0 CCADLP FC(F)(F)[C@H]1C[C@H]([N@@H+]2CCC[NH2+]CC2)CCN1 ZINC001246521962 807272620 /nfs/dbraw/zinc/27/26/20/807272620.db2.gz DHIRUNPAYKOSNG-NXEZZACHSA-N 2 2 251.296 0.965 20 0 CCADLP FC(F)(F)[C@H]1C[C@H]([N@H+]2CCC[NH2+]CC2)CCN1 ZINC001246521962 807272628 /nfs/dbraw/zinc/27/26/28/807272628.db2.gz DHIRUNPAYKOSNG-NXEZZACHSA-N 2 2 251.296 0.965 20 0 CCADLP CC(=O)N1CC[C@@H]([N@@H+]2CCCC[C@@](F)(C[NH3+])C2)C1 ZINC001246580905 807303226 /nfs/dbraw/zinc/30/32/26/807303226.db2.gz OGXCFRLXZJBNJE-CHWSQXEVSA-N 2 2 257.353 0.760 20 0 CCADLP CC(=O)N1CC[C@@H]([N@H+]2CCCC[C@@](F)(C[NH3+])C2)C1 ZINC001246580905 807303236 /nfs/dbraw/zinc/30/32/36/807303236.db2.gz OGXCFRLXZJBNJE-CHWSQXEVSA-N 2 2 257.353 0.760 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+]([C@@H]2COc3ccc(Cl)cc3C2)C[C@@H]1O ZINC001246587102 807308286 /nfs/dbraw/zinc/30/82/86/807308286.db2.gz VHOLGZWUHRSCGC-DRZSPHRISA-N 2 2 282.771 0.895 20 0 CCADLP [NH3+]C[C@H]1C[N@H+]([C@@H]2COc3ccc(Cl)cc3C2)C[C@@H]1O ZINC001246587102 807308294 /nfs/dbraw/zinc/30/82/94/807308294.db2.gz VHOLGZWUHRSCGC-DRZSPHRISA-N 2 2 282.771 0.895 20 0 CCADLP CCOC(=O)C1=C(O)CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246599546 807318340 /nfs/dbraw/zinc/31/83/40/807318340.db2.gz ZPZSOQQOQYNLRC-ZGVCCVRISA-N 2 2 280.368 0.724 20 0 CCADLP CCOC(=O)C1=C(O)CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246599546 807318349 /nfs/dbraw/zinc/31/83/49/807318349.db2.gz ZPZSOQQOQYNLRC-ZGVCCVRISA-N 2 2 280.368 0.724 20 0 CCADLP C[C@@H]1CC[C@H]([NH+]2CCC(C(=O)N3CC[NH2+]CC3)CC2)C[NH2+]1 ZINC001246675504 807352407 /nfs/dbraw/zinc/35/24/07/807352407.db2.gz RUNLXOYPCIIHPF-HIFRSBDPSA-N 3 2 294.443 0.271 20 0 CCADLP CNC(=O)[C@@H]1CCO[C@@H]2CC[N@@H+]([C@@H]3CC[C@H](C)[NH2+]C3)C[C@H]21 ZINC001246704955 807360487 /nfs/dbraw/zinc/36/04/87/807360487.db2.gz NJIBZRDEQXEYKW-VYDRJRHOSA-N 2 2 295.427 0.600 20 0 CCADLP CNC(=O)[C@@H]1CCO[C@@H]2CC[N@H+]([C@@H]3CC[C@H](C)[NH2+]C3)C[C@H]21 ZINC001246704955 807360496 /nfs/dbraw/zinc/36/04/96/807360496.db2.gz NJIBZRDEQXEYKW-VYDRJRHOSA-N 2 2 295.427 0.600 20 0 CCADLP CC(=O)N1CCC2(CC1)C[N@@H+](C1CC[NH2+]CC1)CCO2 ZINC001246717401 807364896 /nfs/dbraw/zinc/36/48/96/807364896.db2.gz FCLIKVQWNPCCOR-UHFFFAOYSA-N 2 2 281.400 0.452 20 0 CCADLP CC(=O)N1CCC2(CC1)C[N@H+](C1CC[NH2+]CC1)CCO2 ZINC001246717401 807364904 /nfs/dbraw/zinc/36/49/04/807364904.db2.gz FCLIKVQWNPCCOR-UHFFFAOYSA-N 2 2 281.400 0.452 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCN(C3CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC001246795415 807382725 /nfs/dbraw/zinc/38/27/25/807382725.db2.gz MKRCMMKZTHDHIF-HIFRSBDPSA-N 3 2 266.433 0.497 20 0 CCADLP C1C(N2CCOCC2)C[NH+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246803534 807388431 /nfs/dbraw/zinc/38/84/31/807388431.db2.gz ZFUQCOJWNFHGIO-FUNVUKJBSA-N 2 2 251.374 0.286 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C[C@H]1[NH3+] ZINC001246933227 807433366 /nfs/dbraw/zinc/43/33/66/807433366.db2.gz REJMHZMSMZNPAC-YNEHKIRRSA-N 3 2 281.400 0.341 20 0 CCADLP COC(=O)[C@@H]1C[N@H+]([C@H]2CCC3(C2)CC[NH2+]CC3)C[C@H]1[NH3+] ZINC001246933227 807433368 /nfs/dbraw/zinc/43/33/68/807433368.db2.gz REJMHZMSMZNPAC-YNEHKIRRSA-N 3 2 281.400 0.341 20 0 CCADLP [NH3+]C[C@H]([NH3+])Cc1nc(-c2cc(F)ccc2F)no1 ZINC001249129649 807545259 /nfs/dbraw/zinc/54/52/59/807545259.db2.gz QMLIQTQJPPCQHQ-SSDOTTSWSA-N 2 2 254.240 0.843 20 0 CCADLP CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001075968717 815130067 /nfs/dbraw/zinc/13/00/67/815130067.db2.gz JYTGPQIZNAYTGR-GZBFAFLISA-N 2 2 288.395 0.998 20 0 CCADLP CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001075968717 815130071 /nfs/dbraw/zinc/13/00/71/815130071.db2.gz JYTGPQIZNAYTGR-GZBFAFLISA-N 2 2 288.395 0.998 20 0 CCADLP Cc1c[nH+]c(NC[C@@H](O)C[NH+]2CCOCC2)c(C)c1 ZINC001251007843 807638612 /nfs/dbraw/zinc/63/86/12/807638612.db2.gz VFKSKUYCCQYHHN-CYBMUJFWSA-N 2 2 265.357 0.803 20 0 CCADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)CO ZINC001252075373 807793473 /nfs/dbraw/zinc/79/34/73/807793473.db2.gz JDCZZDJMYOGMMC-HRCADAONSA-N 2 2 294.395 0.219 20 0 CCADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)CO ZINC001252075373 807793474 /nfs/dbraw/zinc/79/34/74/807793474.db2.gz JDCZZDJMYOGMMC-HRCADAONSA-N 2 2 294.395 0.219 20 0 CCADLP COC(=O)[C@@H](O)C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001252421264 807831623 /nfs/dbraw/zinc/83/16/23/807831623.db2.gz ANINZZKHFNJSSV-AWEZNQCLSA-N 2 2 289.335 0.838 20 0 CCADLP COC(=O)[C@@H](O)C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001252421264 807831615 /nfs/dbraw/zinc/83/16/15/807831615.db2.gz ANINZZKHFNJSSV-AWEZNQCLSA-N 2 2 289.335 0.838 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@H+](CC)CCn1cccn1 ZINC001253188336 808023807 /nfs/dbraw/zinc/02/38/07/808023807.db2.gz VZALRRRCTCLPGA-AWEZNQCLSA-N 2 2 268.405 0.908 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@@H+](CC)CCn1cccn1 ZINC001253188336 808023812 /nfs/dbraw/zinc/02/38/12/808023812.db2.gz VZALRRRCTCLPGA-AWEZNQCLSA-N 2 2 268.405 0.908 20 0 CCADLP CC[NH+](CC)C[C@H](O)CN1CC([NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC001253192676 808025825 /nfs/dbraw/zinc/02/58/25/808025825.db2.gz WREXBURTXZSJLT-DZKIICNBSA-N 2 2 299.459 0.483 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]C1(C(N)=O)CCCCC1 ZINC001253204041 808029706 /nfs/dbraw/zinc/02/97/06/808029706.db2.gz PAKZIVPUOPMRGB-GFCCVEGCSA-N 2 2 271.405 0.467 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H](CC(C)C)C(N)=O ZINC001253209067 808033546 /nfs/dbraw/zinc/03/35/46/808033546.db2.gz WUUVMXAXWLABMS-RYUDHWBXSA-N 2 2 259.394 0.179 20 0 CCADLP Cc1ncc(C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)cn1 ZINC001253404858 808060576 /nfs/dbraw/zinc/06/05/76/808060576.db2.gz JEHGDLZOFUEASH-LBPRGKRZSA-N 2 2 252.362 0.624 20 0 CCADLP CC(C)(C)OC(=O)[C@H](O)C[NH2+]CCOc1cc[nH+]cc1 ZINC001253713346 808126522 /nfs/dbraw/zinc/12/65/22/808126522.db2.gz CFSDPJFGLLOYLE-GFCCVEGCSA-N 2 2 282.340 0.753 20 0 CCADLP CC(C)[C@@H](O)C[NH2+]CCC(=O)NCCc1c[nH]c[nH+]1 ZINC001253783587 808138649 /nfs/dbraw/zinc/13/86/49/808138649.db2.gz MTZWNZPGTHVPPK-LBPRGKRZSA-N 2 2 268.361 0.065 20 0 CCADLP CC(C)[C@@H](O)C[NH2+]CCC(=O)NCCc1c[nH+]c[nH]1 ZINC001253783587 808138653 /nfs/dbraw/zinc/13/86/53/808138653.db2.gz MTZWNZPGTHVPPK-LBPRGKRZSA-N 2 2 268.361 0.065 20 0 CCADLP O=C1CC[C@H](C[NH2+][C@@H]2CC3CC[NH+](CC3)C2)CN1 ZINC001254836408 808283744 /nfs/dbraw/zinc/28/37/44/808283744.db2.gz ASAJYGXAVJKJJL-CHWSQXEVSA-N 2 2 251.374 0.587 20 0 CCADLP CC(C)=CC[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001278838182 808313940 /nfs/dbraw/zinc/31/39/40/808313940.db2.gz GWXBLZMPIFJOJS-CYBMUJFWSA-N 2 2 280.372 0.258 20 0 CCADLP C[C@H]1[C@H](NC(=O)NCc2ccc[nH+]c2N)CC[N@@H+]1C ZINC001255628621 808415461 /nfs/dbraw/zinc/41/54/61/808415461.db2.gz HEEJRCHEGAFCNI-GXSJLCMTSA-N 2 2 263.345 0.556 20 0 CCADLP C[C@H]1[C@H](NC(=O)NCc2ccc[nH+]c2N)CC[N@H+]1C ZINC001255628621 808415465 /nfs/dbraw/zinc/41/54/65/808415465.db2.gz HEEJRCHEGAFCNI-GXSJLCMTSA-N 2 2 263.345 0.556 20 0 CCADLP CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2C2CC[NH+](C)CC2)O1 ZINC001256203002 808478127 /nfs/dbraw/zinc/47/81/27/808478127.db2.gz BQXMVCPNGMWZBN-MCIONIFRSA-N 2 2 281.400 0.401 20 0 CCADLP CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2C2CC[NH+](C)CC2)O1 ZINC001256203002 808478131 /nfs/dbraw/zinc/47/81/31/808478131.db2.gz BQXMVCPNGMWZBN-MCIONIFRSA-N 2 2 281.400 0.401 20 0 CCADLP C[NH+]1CCC([NH+]2CCC3(CC2)COCC(=O)N3)CC1 ZINC001256204372 808479113 /nfs/dbraw/zinc/47/91/13/808479113.db2.gz RFYZSGSQZBBJSC-UHFFFAOYSA-N 2 2 267.373 0.062 20 0 CCADLP CC(C)[NH+]1CCC(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)CC1 ZINC001257210887 808598392 /nfs/dbraw/zinc/59/83/92/808598392.db2.gz ZHTBUYTVVMKEDR-MRXNPFEDSA-N 3 2 280.460 0.872 20 0 CCADLP CCC[NH+]1CCC([NH+]2CCN(CC[NH3+])CC2)CC1 ZINC001258766094 808700501 /nfs/dbraw/zinc/70/05/01/808700501.db2.gz NICQKINZNYMOEG-UHFFFAOYSA-N 3 2 254.422 0.437 20 0 CCADLP C[NH2+][C@H](C)CC[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC001262162816 809213097 /nfs/dbraw/zinc/21/30/97/809213097.db2.gz ZBCDDMDZVUWDCZ-VXGBXAGGSA-N 3 2 266.393 0.290 20 0 CCADLP C[C@H](Nc1nccnc1C[NH3+])[C@@H]1C[N@H+](C)CCO1 ZINC001262687253 809395406 /nfs/dbraw/zinc/39/54/06/809395406.db2.gz IUXKDGRHCVYIAM-ONGXEEELSA-N 2 2 251.334 0.066 20 0 CCADLP C[C@H](Nc1nccnc1C[NH3+])[C@@H]1C[N@@H+](C)CCO1 ZINC001262687253 809395412 /nfs/dbraw/zinc/39/54/12/809395412.db2.gz IUXKDGRHCVYIAM-ONGXEEELSA-N 2 2 251.334 0.066 20 0 CCADLP CC(C)[C@H]1CN(C(=O)C[C@H]([NH3+])C(F)F)CC[N@@H+]1C ZINC001263174997 809471481 /nfs/dbraw/zinc/47/14/81/809471481.db2.gz PJDYKMPZSUUVTI-VHSXEESVSA-N 2 2 263.332 0.768 20 0 CCADLP CC(C)[C@H]1CN(C(=O)C[C@H]([NH3+])C(F)F)CC[N@H+]1C ZINC001263174997 809471484 /nfs/dbraw/zinc/47/14/84/809471484.db2.gz PJDYKMPZSUUVTI-VHSXEESVSA-N 2 2 263.332 0.768 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCCC[NH2+]1 ZINC001263199179 809478937 /nfs/dbraw/zinc/47/89/37/809478937.db2.gz YRGJARZWMOBCHP-OLZOCXBDSA-N 2 2 269.389 0.356 20 0 CCADLP [NH3+]C[C@H]1C[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001263251142 809495903 /nfs/dbraw/zinc/49/59/03/809495903.db2.gz BOMBAKUPEFNIMK-XYPYZODXSA-N 2 2 262.357 0.615 20 0 CCADLP COC1(C(=O)NCCCCn2cc[nH+]c2)CC[NH2+]CC1 ZINC000380077482 809518670 /nfs/dbraw/zinc/51/86/70/809518670.db2.gz ZQDURNIYDSASCQ-UHFFFAOYSA-N 2 2 280.372 0.548 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NC1(C[NH+](C)C)CCC1 ZINC001263818345 809578795 /nfs/dbraw/zinc/57/87/95/809578795.db2.gz SMFKDIQHHYFSKO-UHFFFAOYSA-N 2 2 264.373 0.953 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@H]1C[C@@H]([NH2+]CCCO)C1 ZINC001263838858 809584472 /nfs/dbraw/zinc/58/44/72/809584472.db2.gz FOAJWBQEBUQCOF-BETUJISGSA-N 2 2 280.372 0.140 20 0 CCADLP CC[NH+]1CCN(CCCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001265254259 809731798 /nfs/dbraw/zinc/73/17/98/809731798.db2.gz DNHDJICDIJFVPR-UHFFFAOYSA-N 2 2 293.415 0.335 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCO)C1 ZINC001265557977 809804449 /nfs/dbraw/zinc/80/44/49/809804449.db2.gz JDAHGMXZZQGBNR-YVECIDJPSA-N 2 2 292.383 0.143 20 0 CCADLP CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001265792322 809854761 /nfs/dbraw/zinc/85/47/61/809854761.db2.gz LKRNPHFPWAXRBQ-QWRGUYRKSA-N 2 2 250.346 0.560 20 0 CCADLP COCC[NH2+][C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001265806521 809857624 /nfs/dbraw/zinc/85/76/24/809857624.db2.gz GURJLIRNAGUBRM-LLVKDONJSA-N 2 2 254.334 0.014 20 0 CCADLP CCOCC[NH2+][C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001265843857 809872413 /nfs/dbraw/zinc/87/24/13/809872413.db2.gz OETHLVPXDNTDPY-JTQLQIEISA-N 2 2 254.334 0.083 20 0 CCADLP Cc1[nH+]ccn1-c1cc(-n2c(C)ncc(C[NH3+])c2=N)ncn1 ZINC001167672503 811126483 /nfs/dbraw/zinc/12/64/83/811126483.db2.gz PJNBCYCWZOCJJT-UHFFFAOYSA-N 2 2 296.338 0.403 20 0 CCADLP C[NH+](C)C1(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CCO)CCC1 ZINC001039643777 811175373 /nfs/dbraw/zinc/17/53/73/811175373.db2.gz BBMOKUNIFGPIJD-OKILXGFUSA-N 2 2 295.427 0.528 20 0 CCADLP C[NH+](C)C1(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CCO)CCC1 ZINC001039643777 811175378 /nfs/dbraw/zinc/17/53/78/811175378.db2.gz BBMOKUNIFGPIJD-OKILXGFUSA-N 2 2 295.427 0.528 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N(C)CC[NH2+]Cc1coc(C)n1 ZINC001267402752 811280882 /nfs/dbraw/zinc/28/08/82/811280882.db2.gz LOAHXIPMEPMXBN-UHFFFAOYSA-N 2 2 291.355 0.736 20 0 CCADLP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1csnn1)[NH+](C)C ZINC001267429669 811299457 /nfs/dbraw/zinc/29/94/57/811299457.db2.gz DGEDBRKTVCMQQE-NSHDSACASA-N 2 2 285.417 0.426 20 0 CCADLP CN(CC[NH2+]C[C@H]1C[C@]12CCOC2)C(=O)Cc1c[nH+]c[nH]1 ZINC001267434696 811303160 /nfs/dbraw/zinc/30/31/60/811303160.db2.gz NKWZNMRNNVUVBO-DOMZBBRYSA-N 2 2 292.383 0.427 20 0 CCADLP CN(CC[NH2+]CCc1ccns1)C(=O)Cc1[nH]cc[nH+]1 ZINC001267446549 811311810 /nfs/dbraw/zinc/31/18/10/811311810.db2.gz VGFLZQWFHCWJLG-UHFFFAOYSA-N 2 2 293.396 0.699 20 0 CCADLP C[C@H]1C[C@H](C[NH2+]CCN(C)C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001267445853 811312259 /nfs/dbraw/zinc/31/22/59/811312259.db2.gz IRJBGMMLPRGHCI-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP CC1(C)[NH2+][C@H](CO[C@H]2C[NH2+]CC(F)(F)C2)CO1 ZINC001217854847 811317557 /nfs/dbraw/zinc/31/75/57/811317557.db2.gz JFNZSIUURNDOBM-RKDXNWHRSA-N 2 2 250.289 0.725 20 0 CCADLP CN(C(=O)CCc1c[nH]c[nH+]1)C1CC([NH2+]CCF)C1 ZINC001279241303 811499935 /nfs/dbraw/zinc/49/99/35/811499935.db2.gz CWWJKWQGBNUUHG-UHFFFAOYSA-N 2 2 268.336 0.891 20 0 CCADLP CN(C(=O)CCc1c[nH+]c[nH]1)C1CC([NH2+]CCF)C1 ZINC001279241303 811499938 /nfs/dbraw/zinc/49/99/38/811499938.db2.gz CWWJKWQGBNUUHG-UHFFFAOYSA-N 2 2 268.336 0.891 20 0 CCADLP CC(C)[C@@H](C(=O)NC1C[NH+](CCCF)C1)[NH+](C)C ZINC001267667700 811631926 /nfs/dbraw/zinc/63/19/26/811631926.db2.gz IABNNLLYBHOQBC-LBPRGKRZSA-N 2 2 259.369 0.733 20 0 CCADLP CC[C@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+]CCOC ZINC001267825399 811819249 /nfs/dbraw/zinc/81/92/49/811819249.db2.gz OPUKJMFSXIHXTQ-LLVKDONJSA-N 2 2 268.361 0.391 20 0 CCADLP C[C@H](O)C[N@H+](C)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001027436282 812010138 /nfs/dbraw/zinc/01/01/38/812010138.db2.gz UBSISUVEQATMOT-JSGCOSHPSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@H](O)C[N@@H+](C)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001027436282 812010148 /nfs/dbraw/zinc/01/01/48/812010148.db2.gz UBSISUVEQATMOT-JSGCOSHPSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@H](O)C[N@H+](C)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001027436282 812010156 /nfs/dbraw/zinc/01/01/56/812010156.db2.gz UBSISUVEQATMOT-JSGCOSHPSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@H](O)C[N@@H+](C)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001027436282 812010163 /nfs/dbraw/zinc/01/01/63/812010163.db2.gz UBSISUVEQATMOT-JSGCOSHPSA-N 2 2 294.399 0.646 20 0 CCADLP CC[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000037893971 812030968 /nfs/dbraw/zinc/03/09/68/812030968.db2.gz IFIZISPTAOBSLJ-KGLIPLIRSA-N 3 2 255.406 0.375 20 0 CCADLP CC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000037893971 812030973 /nfs/dbraw/zinc/03/09/73/812030973.db2.gz IFIZISPTAOBSLJ-KGLIPLIRSA-N 3 2 255.406 0.375 20 0 CCADLP O=C(NC[C@H]1CCC[N@H+]1CCO)[C@H]1CCn2cc[nH+]c2C1 ZINC001027981562 812192291 /nfs/dbraw/zinc/19/22/91/812192291.db2.gz NSHOVFWHDKMANH-QWHCGFSZSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(NC[C@H]1CCC[N@@H+]1CCO)[C@H]1CCn2cc[nH+]c2C1 ZINC001027981562 812192294 /nfs/dbraw/zinc/19/22/94/812192294.db2.gz NSHOVFWHDKMANH-QWHCGFSZSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CCCC[C@@H]1CC[NH2+]CCO ZINC001268156296 812312959 /nfs/dbraw/zinc/31/29/59/812312959.db2.gz XANUXCQYEXFOTL-CQSZACIVSA-N 2 2 294.399 0.695 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CCCC[C@@H]1CC[NH2+]CCO ZINC001268156296 812312965 /nfs/dbraw/zinc/31/29/65/812312965.db2.gz XANUXCQYEXFOTL-CQSZACIVSA-N 2 2 294.399 0.695 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCF)C1 ZINC001028329121 812623446 /nfs/dbraw/zinc/62/34/46/812623446.db2.gz GMSGXVDAVZEHFJ-CHWSQXEVSA-N 2 2 287.379 0.257 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCF)C1 ZINC001028329121 812623450 /nfs/dbraw/zinc/62/34/50/812623450.db2.gz GMSGXVDAVZEHFJ-CHWSQXEVSA-N 2 2 287.379 0.257 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CCF)C1 ZINC001028329121 812623453 /nfs/dbraw/zinc/62/34/53/812623453.db2.gz GMSGXVDAVZEHFJ-CHWSQXEVSA-N 2 2 287.379 0.257 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CCF)C1 ZINC001028329121 812623457 /nfs/dbraw/zinc/62/34/57/812623457.db2.gz GMSGXVDAVZEHFJ-CHWSQXEVSA-N 2 2 287.379 0.257 20 0 CCADLP CC(C)OCC[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001268484928 812661710 /nfs/dbraw/zinc/66/17/10/812661710.db2.gz MNZIHVSFEDVUNA-GFCCVEGCSA-N 2 2 269.389 0.164 20 0 CCADLP CC(C)OCC[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001268484928 812661717 /nfs/dbraw/zinc/66/17/17/812661717.db2.gz MNZIHVSFEDVUNA-GFCCVEGCSA-N 2 2 269.389 0.164 20 0 CCADLP COc1cc(OC)c(-c2noc([C@H]3C[NH2+]C[C@@H]3[NH3+])n2)cn1 ZINC001211757880 812686047 /nfs/dbraw/zinc/68/60/47/812686047.db2.gz VKOCHCUSYZUUIY-CBAPKCEASA-N 2 2 291.311 0.163 20 0 CCADLP COc1ccc(-c2noc([C@H]3C[NH2+]C[C@@H]3[NH3+])n2)cn1 ZINC001211757697 812687003 /nfs/dbraw/zinc/68/70/03/812687003.db2.gz LMJSHOQTNQEQOC-IUCAKERBSA-N 2 2 261.285 0.154 20 0 CCADLP CC[NH2+]C/C=C\CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001268560052 812801046 /nfs/dbraw/zinc/80/10/46/812801046.db2.gz IFUCCSQFIGTMEW-MVZIDQBPSA-N 2 2 262.357 0.727 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCCC1(C[NH2+]CCO)CC1 ZINC001167942391 813027324 /nfs/dbraw/zinc/02/73/24/813027324.db2.gz NBIVTKSPDSIRCU-UHFFFAOYSA-N 2 2 294.399 0.221 20 0 CCADLP CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1 ZINC001268955918 813157934 /nfs/dbraw/zinc/15/79/34/813157934.db2.gz RVPQZEVEBYOMIH-KBPBESRZSA-N 2 2 292.383 0.595 20 0 CCADLP CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1 ZINC001268955918 813157940 /nfs/dbraw/zinc/15/79/40/813157940.db2.gz RVPQZEVEBYOMIH-KBPBESRZSA-N 2 2 292.383 0.595 20 0 CCADLP C[N@@H+]1CCC12CN(C(=O)c1cccc3c[nH+]cn31)C2 ZINC001269190806 813256919 /nfs/dbraw/zinc/25/69/19/813256919.db2.gz LGHZVZXFZSKQLG-UHFFFAOYSA-N 2 2 256.309 0.864 20 0 CCADLP C[N@H+]1CCC12CN(C(=O)c1cccc3c[nH+]cn31)C2 ZINC001269190806 813256920 /nfs/dbraw/zinc/25/69/20/813256920.db2.gz LGHZVZXFZSKQLG-UHFFFAOYSA-N 2 2 256.309 0.864 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]C[C@@H]1CCCCO1 ZINC001126448337 813636785 /nfs/dbraw/zinc/63/67/85/813636785.db2.gz SANYJVWLVNZKGP-LBPRGKRZSA-N 2 2 280.372 0.617 20 0 CCADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC[C@@H]1C[NH2+]CCF ZINC001270228642 813687966 /nfs/dbraw/zinc/68/79/66/813687966.db2.gz OXZMGECBRZQEHM-CHWSQXEVSA-N 2 2 294.374 0.996 20 0 CCADLP C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC001270447371 813767149 /nfs/dbraw/zinc/76/71/49/813767149.db2.gz SLQCKDPPXDXUGU-GMXVVIOVSA-N 2 2 274.368 0.992 20 0 CCADLP C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC001270447371 813767151 /nfs/dbraw/zinc/76/71/51/813767151.db2.gz SLQCKDPPXDXUGU-GMXVVIOVSA-N 2 2 274.368 0.992 20 0 CCADLP COCC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001203441627 814175621 /nfs/dbraw/zinc/17/56/21/814175621.db2.gz CNMDEUJVFGQYNC-CHWSQXEVSA-N 2 2 292.383 0.616 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000430603873 814549848 /nfs/dbraw/zinc/54/98/48/814549848.db2.gz OCVWJMQYCDRBSF-HIFRSBDPSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000430603873 814549853 /nfs/dbraw/zinc/54/98/53/814549853.db2.gz OCVWJMQYCDRBSF-HIFRSBDPSA-N 2 2 295.427 0.698 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCCCC[C@H]([NH2+]CCO)C1 ZINC001088414090 814677388 /nfs/dbraw/zinc/67/73/88/814677388.db2.gz WKNOLNPRZHISLS-ZDUSSCGKSA-N 2 2 294.399 0.316 20 0 CCADLP C[C@@H]1[C@H]([NH2+]CCF)CCN1C(=O)CCc1[nH+]ccn1C ZINC000986603275 814761306 /nfs/dbraw/zinc/76/13/06/814761306.db2.gz SBLVYGLJSSXLKC-VXGBXAGGSA-N 2 2 282.363 0.901 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001127078835 815641472 /nfs/dbraw/zinc/64/14/72/815641472.db2.gz SXAKCOJPCBNZDJ-GFCCVEGCSA-N 2 2 281.360 0.148 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001127078835 815641478 /nfs/dbraw/zinc/64/14/78/815641478.db2.gz SXAKCOJPCBNZDJ-GFCCVEGCSA-N 2 2 281.360 0.148 20 0 CCADLP CC[C@H](C)C[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001030180563 815871127 /nfs/dbraw/zinc/87/11/27/815871127.db2.gz SCEMRAZQHFOOJB-WCQYABFASA-N 2 2 269.389 0.164 20 0 CCADLP CC[C@H](C)C[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001030180563 815871134 /nfs/dbraw/zinc/87/11/34/815871134.db2.gz SCEMRAZQHFOOJB-WCQYABFASA-N 2 2 269.389 0.164 20 0 CCADLP C[NH+](C)CCn1ccc(C(=O)NC2C[NH+](CCCF)C2)n1 ZINC001030330169 815978661 /nfs/dbraw/zinc/97/86/61/815978661.db2.gz QBKZEVBIUNTQEO-UHFFFAOYSA-N 2 2 297.378 0.218 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001089005889 816210512 /nfs/dbraw/zinc/21/05/12/816210512.db2.gz DLEOZCLYKICXAB-UHTWSYAYSA-N 2 2 294.399 0.875 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001089005889 816210517 /nfs/dbraw/zinc/21/05/17/816210517.db2.gz DLEOZCLYKICXAB-UHTWSYAYSA-N 2 2 294.399 0.875 20 0 CCADLP CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001089146103 816278276 /nfs/dbraw/zinc/27/82/76/816278276.db2.gz SPCCXWHPDQDQPN-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001089146103 816278281 /nfs/dbraw/zinc/27/82/81/816278281.db2.gz SPCCXWHPDQDQPN-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001089146103 816278287 /nfs/dbraw/zinc/27/82/87/816278287.db2.gz SPCCXWHPDQDQPN-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001089146103 816278292 /nfs/dbraw/zinc/27/82/92/816278292.db2.gz SPCCXWHPDQDQPN-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP COCCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001272308369 816295334 /nfs/dbraw/zinc/29/53/34/816295334.db2.gz AGVWPYWLZQQKLP-TZMCWYRMSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NC2C[NH+](C[C@@H]3CCCCO3)C2)C1 ZINC001030958176 816501115 /nfs/dbraw/zinc/50/11/15/816501115.db2.gz FCMFWWJOYJEGPT-ZFWWWQNUSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)NC2C[NH+](C[C@@H]3CCCCO3)C2)C1 ZINC001030958176 816501120 /nfs/dbraw/zinc/50/11/20/816501120.db2.gz FCMFWWJOYJEGPT-ZFWWWQNUSA-N 2 2 295.427 0.698 20 0 CCADLP CC(C)C[NH+]1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001030974007 816521396 /nfs/dbraw/zinc/52/13/96/816521396.db2.gz PLYLPXQLOFMQMA-CHWSQXEVSA-N 2 2 276.384 0.980 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001122011199 816531167 /nfs/dbraw/zinc/53/11/67/816531167.db2.gz KIYNUQVEXSASTG-RISCZKNCSA-N 2 2 262.357 0.800 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001122011199 816531169 /nfs/dbraw/zinc/53/11/69/816531169.db2.gz KIYNUQVEXSASTG-RISCZKNCSA-N 2 2 262.357 0.800 20 0 CCADLP C[C@@H]1C[C@H](C(=O)NCC[NH+]2CCC([NH3+])CC2)CCO1 ZINC001122157619 816598818 /nfs/dbraw/zinc/59/88/18/816598818.db2.gz QCZPAYLDQVHMBC-VXGBXAGGSA-N 2 2 269.389 0.341 20 0 CCADLP CC[C@H](C[NH+]1CC(NC(=O)C[NH+]2CCC(C)CC2)C1)OC ZINC001031143434 816694155 /nfs/dbraw/zinc/69/41/55/816694155.db2.gz PNMUKOGYHASKJU-OAHLLOKOSA-N 2 2 297.443 0.944 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H](O)C[NH2+]CCC1CCCC1 ZINC001272592149 816740316 /nfs/dbraw/zinc/74/03/16/816740316.db2.gz MJQVGYHXBBUNRE-AWEZNQCLSA-N 2 2 294.399 0.530 20 0 CCADLP Oc1cc(F)c(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)cc1F ZINC001234986354 816789486 /nfs/dbraw/zinc/78/94/86/816789486.db2.gz CRBARUGZUKSISQ-AWEZNQCLSA-N 2 2 283.322 0.808 20 0 CCADLP COCC[NH+]1CC(NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001031254521 816902564 /nfs/dbraw/zinc/90/25/64/816902564.db2.gz USYYXVROYKEFSG-JSGCOSHPSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H]1CC[C@H](C[NH+]2CC(NC(=O)C34CC[NH+](CC3)C4)C2)O1 ZINC001031265482 816915024 /nfs/dbraw/zinc/91/50/24/816915024.db2.gz GLYJKCHTWLQFKN-GXTWGEPZSA-N 2 2 293.411 0.450 20 0 CCADLP COc1cncc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000699876364 816948480 /nfs/dbraw/zinc/94/84/80/816948480.db2.gz HFUZLYZHTIYPBV-CYBMUJFWSA-N 2 2 265.357 0.637 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC1C[NH+](C[C@@H]2CCCOC2)C1 ZINC001031391414 817026402 /nfs/dbraw/zinc/02/64/02/817026402.db2.gz FQTKTSHUHQXNTI-ZDUSSCGKSA-N 2 2 292.383 0.419 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NC2C[NH+](CCC3CC3)C2)C1 ZINC001031414400 817039731 /nfs/dbraw/zinc/03/97/31/817039731.db2.gz IRFRWTWJBDARCO-AWEZNQCLSA-N 2 2 281.400 0.308 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NC2C[NH+](CCC3CC3)C2)C1 ZINC001031414400 817039738 /nfs/dbraw/zinc/03/97/38/817039738.db2.gz IRFRWTWJBDARCO-AWEZNQCLSA-N 2 2 281.400 0.308 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+]([C@H](C)COC)C1 ZINC001031439889 817057240 /nfs/dbraw/zinc/05/72/40/817057240.db2.gz KTWZZYFWPNNTRD-TZMCWYRMSA-N 2 2 283.416 0.696 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+]([C@H](C)COC)C1 ZINC001031439889 817057247 /nfs/dbraw/zinc/05/72/47/817057247.db2.gz KTWZZYFWPNNTRD-TZMCWYRMSA-N 2 2 283.416 0.696 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC1C[NH+](C[C@H]2CCCOC2)C1 ZINC001031476262 817071680 /nfs/dbraw/zinc/07/16/80/817071680.db2.gz DUMAKHDBMQDIGD-GFCCVEGCSA-N 2 2 278.356 0.110 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)o1 ZINC001127475335 817147186 /nfs/dbraw/zinc/14/71/86/817147186.db2.gz TXPQTGXMPQFVBR-CYBMUJFWSA-N 2 2 292.383 0.531 20 0 CCADLP CC1(C)C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@H+](CCO)C1 ZINC001089504874 817173768 /nfs/dbraw/zinc/17/37/68/817173768.db2.gz DNLYZFLJCRUWCC-GFCCVEGCSA-N 2 2 294.399 0.551 20 0 CCADLP CC1(C)C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@@H+](CCO)C1 ZINC001089504874 817173772 /nfs/dbraw/zinc/17/37/72/817173772.db2.gz DNLYZFLJCRUWCC-GFCCVEGCSA-N 2 2 294.399 0.551 20 0 CCADLP CC[NH+]1CC(CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001031686648 817242372 /nfs/dbraw/zinc/24/23/72/817242372.db2.gz ROHDPDFAXHMETG-CQSZACIVSA-N 2 2 291.399 0.858 20 0 CCADLP CC[NH+]1CC(CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001031686648 817242382 /nfs/dbraw/zinc/24/23/82/817242382.db2.gz ROHDPDFAXHMETG-CQSZACIVSA-N 2 2 291.399 0.858 20 0 CCADLP CCC[NH+]1CC(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001031779125 817359021 /nfs/dbraw/zinc/35/90/21/817359021.db2.gz KLSKULSVAYBMEY-CYBMUJFWSA-N 2 2 276.384 0.904 20 0 CCADLP N[C@H](C[NH+]1CCC([NH3+])CC1)c1nc(-c2ccccn2)no1 ZINC001212315459 817362441 /nfs/dbraw/zinc/36/24/41/817362441.db2.gz XEXALUNTAOCVOQ-LLVKDONJSA-N 2 2 288.355 0.555 20 0 CCADLP O=C(NCC1C[NH+](CC2CC2)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001031782195 817362690 /nfs/dbraw/zinc/36/26/90/817362690.db2.gz CENCCCNTPUBEOL-AWEZNQCLSA-N 2 2 288.395 0.904 20 0 CCADLP COCC[NH+]1CC(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001031783615 817364332 /nfs/dbraw/zinc/36/43/32/817364332.db2.gz CTCACUMKSBMYMC-CYBMUJFWSA-N 2 2 292.383 0.140 20 0 CCADLP CCC[NH+]1CC(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001031783098 817365422 /nfs/dbraw/zinc/36/54/22/817365422.db2.gz AMISEJNCFDBGCG-ZDUSSCGKSA-N 2 2 276.384 0.904 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1csnn1 ZINC001127643650 817414716 /nfs/dbraw/zinc/41/47/16/817414716.db2.gz FGGXLCOIJOGFBW-HBNTYKKESA-N 2 2 297.428 0.645 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1csnn1 ZINC001127643650 817414720 /nfs/dbraw/zinc/41/47/20/817414720.db2.gz FGGXLCOIJOGFBW-HBNTYKKESA-N 2 2 297.428 0.645 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000353673027 817420392 /nfs/dbraw/zinc/42/03/92/817420392.db2.gz OLQGVUDGFOCGCG-YPMHNXCESA-N 2 2 250.346 0.443 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000353673027 817420398 /nfs/dbraw/zinc/42/03/98/817420398.db2.gz OLQGVUDGFOCGCG-YPMHNXCESA-N 2 2 250.346 0.443 20 0 CCADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC001032186848 817681893 /nfs/dbraw/zinc/68/18/93/817681893.db2.gz YCNYQKSEIRFMOU-CYBMUJFWSA-N 2 2 292.383 0.483 20 0 CCADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC001032186848 817681899 /nfs/dbraw/zinc/68/18/99/817681899.db2.gz YCNYQKSEIRFMOU-CYBMUJFWSA-N 2 2 292.383 0.483 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001032205738 817702510 /nfs/dbraw/zinc/70/25/10/817702510.db2.gz HEHMUJWLEYCHCN-CYBMUJFWSA-N 2 2 271.380 0.878 20 0 CCADLP COC[C@H](C)[NH2+]CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001127790709 817875452 /nfs/dbraw/zinc/87/54/52/817875452.db2.gz BKNCFCHDQLTMMM-LBPRGKRZSA-N 2 2 294.399 0.503 20 0 CCADLP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001077656508 817943483 /nfs/dbraw/zinc/94/34/83/817943483.db2.gz NCQKESHQRQUTSN-CYZMBNFOSA-N 2 2 292.383 0.399 20 0 CCADLP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001077656508 817943484 /nfs/dbraw/zinc/94/34/84/817943484.db2.gz NCQKESHQRQUTSN-CYZMBNFOSA-N 2 2 292.383 0.399 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCC1 ZINC001032814540 818034793 /nfs/dbraw/zinc/03/47/93/818034793.db2.gz AYFCFYMMRXNXND-KBPBESRZSA-N 2 2 274.368 0.968 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCC1 ZINC001032814540 818034800 /nfs/dbraw/zinc/03/48/00/818034800.db2.gz 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CCADLP CC1(C)CO[C@@H](C[NH2+]CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001128967261 819237911 /nfs/dbraw/zinc/23/79/11/819237911.db2.gz ISGBKRWQLBQQLV-CYBMUJFWSA-N 2 2 294.399 0.863 20 0 CCADLP CC1(C)CO[C@@H](C[NH2+]CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001128967261 819237922 /nfs/dbraw/zinc/23/79/22/819237922.db2.gz ISGBKRWQLBQQLV-CYBMUJFWSA-N 2 2 294.399 0.863 20 0 CCADLP COCC[N@@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547459 819240205 /nfs/dbraw/zinc/24/02/05/819240205.db2.gz QUGQYILKMAFQEM-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP COCC[N@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547459 819240210 /nfs/dbraw/zinc/24/02/10/819240210.db2.gz QUGQYILKMAFQEM-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP CC[N@@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034550401 819241302 /nfs/dbraw/zinc/24/13/02/819241302.db2.gz VPXVBPOLGCBPGR-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP CC[N@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034550401 819241308 /nfs/dbraw/zinc/24/13/08/819241308.db2.gz 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O=C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001118848538 820950194 /nfs/dbraw/zinc/95/01/94/820950194.db2.gz YLBOUSUGQVTWTF-VXGBXAGGSA-N 2 2 262.357 0.704 20 0 CCADLP CO[C@@H]1C[N@H+](CC=C(C)C)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082395163 820956422 /nfs/dbraw/zinc/95/64/22/820956422.db2.gz YLOYNXOSRLDMLR-ZIAGYGMSSA-N 2 2 292.383 0.665 20 0 CCADLP CO[C@@H]1C[N@@H+](CC=C(C)C)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082395163 820956429 /nfs/dbraw/zinc/95/64/29/820956429.db2.gz YLOYNXOSRLDMLR-ZIAGYGMSSA-N 2 2 292.383 0.665 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]C[C@@H]1CCOC1 ZINC001082824187 821043608 /nfs/dbraw/zinc/04/36/08/821043608.db2.gz MNJWETANJOABLW-FRRDWIJNSA-N 2 2 292.383 0.425 20 0 CCADLP Cc1cc(N2CCNC(=O)C23C[NH2+]C3)nc(C(C)C)[nH+]1 ZINC001165302680 821049215 /nfs/dbraw/zinc/04/92/15/821049215.db2.gz XZPAMSUCKFAXSS-UHFFFAOYSA-N 2 2 275.356 0.187 20 0 CCADLP CCC[N@@H+]1C[C@H]2OCCN(C(=O)CCn3cc[nH+]c3)[C@H]2C1 ZINC001083157529 821151673 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CCCCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001100018511 822062523 /nfs/dbraw/zinc/06/25/23/822062523.db2.gz SAYSXVAUANCFFU-UONOGXRCSA-N 2 2 294.399 0.694 20 0 CCADLP CCCCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001100018511 822062531 /nfs/dbraw/zinc/06/25/31/822062531.db2.gz SAYSXVAUANCFFU-UONOGXRCSA-N 2 2 294.399 0.694 20 0 CCADLP O=C(NC[C@H]1C[C@H]([NH2+]CCF)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001086407052 822241069 /nfs/dbraw/zinc/24/10/69/822241069.db2.gz SPHYRHZLGZHXGC-JHJVBQTASA-N 2 2 294.374 0.899 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]Cc1cnon1 ZINC001129422124 837504103 /nfs/dbraw/zinc/50/41/03/837504103.db2.gz FWOAJNUKZDKJTA-CYBMUJFWSA-N 2 2 295.387 0.538 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]Cc1cnon1 ZINC001129422124 837504111 /nfs/dbraw/zinc/50/41/11/837504111.db2.gz FWOAJNUKZDKJTA-CYBMUJFWSA-N 2 2 295.387 0.538 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[NH2+]Cc1csnn1)[NH+](C)C ZINC001129947275 837597468 /nfs/dbraw/zinc/59/74/68/837597468.db2.gz RMJWPKITHFJSMP-NSHDSACASA-N 2 2 285.417 0.330 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(S(C)(=O)=O)cn2)CC1 ZINC001157914666 837693561 /nfs/dbraw/zinc/69/35/61/837693561.db2.gz DUJIRTNIXOHTJL-UHFFFAOYSA-N 2 2 297.384 0.079 20 0 CCADLP COC[C@@H](C)[NH2+]CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001130166599 837715074 /nfs/dbraw/zinc/71/50/74/837715074.db2.gz JAHSSAMYGBKDOD-GFCCVEGCSA-N 2 2 282.388 0.667 20 0 CCADLP CC[C@H](C(=O)NCC[NH2+][C@@H](C)c1csnn1)[NH+](C)C ZINC001130203575 837725479 /nfs/dbraw/zinc/72/54/79/837725479.db2.gz QBJCPLZVLTXXBF-GXSJLCMTSA-N 2 2 285.417 0.645 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C)c1csnn1 ZINC001130299688 837752835 /nfs/dbraw/zinc/75/28/35/837752835.db2.gz AFTZZOXMUJCNOA-CMPLNLGQSA-N 2 2 297.428 0.789 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C)c1csnn1 ZINC001130299688 837752839 /nfs/dbraw/zinc/75/28/39/837752839.db2.gz AFTZZOXMUJCNOA-CMPLNLGQSA-N 2 2 297.428 0.789 20 0 CCADLP O=C(NCC[NH2+]Cc1cccnc1)[C@H]1CCn2c[nH+]cc2C1 ZINC001130403745 837787475 /nfs/dbraw/zinc/78/74/75/837787475.db2.gz BNMYYPYTGCTJID-AWEZNQCLSA-N 2 2 299.378 0.747 20 0 CCADLP CC[C@@H](F)C[NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130404901 837786766 /nfs/dbraw/zinc/78/67/66/837786766.db2.gz RTBBXDBDOCIQAE-NWDGAFQWSA-N 2 2 282.363 0.899 20 0 CCADLP O=C(NCC[NH2+]C[C@H]1CCOC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001130406930 837786815 /nfs/dbraw/zinc/78/68/15/837786815.db2.gz HWTGHPAZUDLZFG-OLZOCXBDSA-N 2 2 292.383 0.188 20 0 CCADLP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1nncs1 ZINC001130427623 837791101 /nfs/dbraw/zinc/79/11/01/837791101.db2.gz OSTXCYKHQNUCRG-UHFFFAOYSA-N 2 2 285.417 0.474 20 0 CCADLP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1nncs1 ZINC001130427623 837791108 /nfs/dbraw/zinc/79/11/08/837791108.db2.gz OSTXCYKHQNUCRG-UHFFFAOYSA-N 2 2 285.417 0.474 20 0 CCADLP C[N@H+](CC[NH3+])CCNc1cc2c(ncnc2Cl)[nH]1 ZINC001170498864 837837625 /nfs/dbraw/zinc/83/76/25/837837625.db2.gz PBZVMLMBXAINRD-UHFFFAOYSA-N 2 2 268.752 0.914 20 0 CCADLP C[N@@H+](CC[NH3+])CCNc1cc2c(ncnc2Cl)[nH]1 ZINC001170498864 837837634 /nfs/dbraw/zinc/83/76/34/837837634.db2.gz PBZVMLMBXAINRD-UHFFFAOYSA-N 2 2 268.752 0.914 20 0 CCADLP O=C(NCC[NH2+]C[C@H]1CCOC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001130484816 837807578 /nfs/dbraw/zinc/80/75/78/837807578.db2.gz WNXJRAHPTWAEKV-OLZOCXBDSA-N 2 2 292.383 0.188 20 0 CCADLP C[C@@H](O)CCC[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130484534 837808086 /nfs/dbraw/zinc/80/80/86/837808086.db2.gz PNQWELWYTIBMEU-OLZOCXBDSA-N 2 2 294.399 0.312 20 0 CCADLP C[C@H](O)CCC[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130484536 837808544 /nfs/dbraw/zinc/80/85/44/837808544.db2.gz PNQWELWYTIBMEU-STQMWFEESA-N 2 2 294.399 0.312 20 0 CCADLP O=C(NCC[NH2+]C[C@@H]1CCOC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130488097 837811048 /nfs/dbraw/zinc/81/10/48/837811048.db2.gz MVPIINFIXFNULV-QWHCGFSZSA-N 2 2 292.383 0.188 20 0 CCADLP Cc1cc(N(C(N)=[NH2+])C(=O)C23CCC[NH+]2CCC3)n[nH]1 ZINC001183561784 844037317 /nfs/dbraw/zinc/03/73/17/844037317.db2.gz MTLIOSBJIMFCHT-UHFFFAOYSA-N 2 2 276.344 0.573 20 0 CCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@@H]([NH2+]CCCF)C1 ZINC001183764600 844085203 /nfs/dbraw/zinc/08/52/03/844085203.db2.gz CKFFYHZQAVLXJQ-CHWSQXEVSA-N 2 2 294.374 0.996 20 0 CCADLP C[NH+](C)Cc1cccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169071811 836125689 /nfs/dbraw/zinc/12/56/89/836125689.db2.gz FSJNLNKUCNLDNR-LLVKDONJSA-N 3 2 275.356 0.191 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc(C2([NH3+])CC2)cc1 ZINC001169073502 836127232 /nfs/dbraw/zinc/12/72/32/836127232.db2.gz JYKUEPFBFSWSOJ-GFCCVEGCSA-N 3 2 272.352 0.682 20 0 CCADLP CN(C)c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1 ZINC001169075395 836128634 /nfs/dbraw/zinc/12/86/34/836128634.db2.gz RAPWDGPMFYCBGW-SNVBAGLBSA-N 2 2 261.329 0.195 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Nc2cc(C)c3c(n2)CC[NH2+]C3)C[NH2+]1 ZINC001169124505 836141446 /nfs/dbraw/zinc/14/14/46/836141446.db2.gz VDSDEBPDXMOGFR-MFKMUULPSA-N 2 2 290.367 0.351 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCC[C@H]1C(N)=O)C2 ZINC001169140179 836151769 /nfs/dbraw/zinc/15/17/69/836151769.db2.gz IJHQXIHXUGOESY-RNJOBUHISA-N 2 2 251.374 0.951 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCC[C@H]1C(N)=O)C2 ZINC001169140179 836151775 /nfs/dbraw/zinc/15/17/75/836151775.db2.gz IJHQXIHXUGOESY-RNJOBUHISA-N 2 2 251.374 0.951 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCC[C@H]1C(N)=O)C2 ZINC001169140179 836151781 /nfs/dbraw/zinc/15/17/81/836151781.db2.gz IJHQXIHXUGOESY-RNJOBUHISA-N 2 2 251.374 0.951 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCC[C@H]1C(N)=O)C2 ZINC001169140179 836151785 /nfs/dbraw/zinc/15/17/85/836151785.db2.gz IJHQXIHXUGOESY-RNJOBUHISA-N 2 2 251.374 0.951 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CCN1C ZINC001169152587 836155821 /nfs/dbraw/zinc/15/58/21/836155821.db2.gz CLRXFPHVIVCEQA-CRWXNKLISA-N 2 2 281.400 0.401 20 0 CCADLP COC(=O)[C@@H]1C[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CCN1C ZINC001169152587 836155824 /nfs/dbraw/zinc/15/58/24/836155824.db2.gz CLRXFPHVIVCEQA-CRWXNKLISA-N 2 2 281.400 0.401 20 0 CCADLP COC(=O)[C@@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCN1C ZINC001169152587 836155827 /nfs/dbraw/zinc/15/58/27/836155827.db2.gz CLRXFPHVIVCEQA-CRWXNKLISA-N 2 2 281.400 0.401 20 0 CCADLP COC(=O)[C@@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCN1C ZINC001169152587 836155830 /nfs/dbraw/zinc/15/58/30/836155830.db2.gz CLRXFPHVIVCEQA-CRWXNKLISA-N 2 2 281.400 0.401 20 0 CCADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001169457226 836293001 /nfs/dbraw/zinc/29/30/01/836293001.db2.gz PPFAPHTVGTYBNK-CYBMUJFWSA-N 2 2 285.432 0.680 20 0 CCADLP CC(=O)N1CCC[C@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC001169566624 836358399 /nfs/dbraw/zinc/35/83/99/836358399.db2.gz ZRTGKQUAVNIBQK-ZDUSSCGKSA-N 2 2 250.346 0.874 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNc1cnc2c(c1)C[NH2+]CC2 ZINC001169656122 836412255 /nfs/dbraw/zinc/41/22/55/836412255.db2.gz LILHOTPIJLCLFI-ZDUSSCGKSA-N 2 2 262.357 0.470 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNc1cnc2c(c1)C[NH2+]CC2 ZINC001169656122 836412259 /nfs/dbraw/zinc/41/22/59/836412259.db2.gz LILHOTPIJLCLFI-ZDUSSCGKSA-N 2 2 262.357 0.470 20 0 CCADLP [NH3+][C@@H]1C[C@H]1[NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169734712 836434511 /nfs/dbraw/zinc/43/45/11/836434511.db2.gz CUTKHRRDZXXXDC-BFHYXJOUSA-N 2 2 259.353 0.980 20 0 CCADLP Clc1nc2c(c(NC[C@@H]3COCC[NH2+]3)n1)C[NH2+]C2 ZINC001170030710 836747715 /nfs/dbraw/zinc/74/77/15/836747715.db2.gz DBQPSRZIULTRNT-SSDOTTSWSA-N 2 2 269.736 0.134 20 0 CCADLP Cc1[nH+]ccn1-c1ccc(NC[C@@H]2COCC[NH2+]2)nn1 ZINC001170040695 836767574 /nfs/dbraw/zinc/76/75/74/836767574.db2.gz ALZQHDCVPWTULO-LLVKDONJSA-N 2 2 274.328 0.371 20 0 CCADLP COCCC[NH+]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001113383502 837106515 /nfs/dbraw/zinc/10/65/15/837106515.db2.gz BDQOEUXXUDVKDC-UHFFFAOYSA-N 2 2 266.345 0.133 20 0 CCADLP CC(C)Nc1cc[nH+]c(NCCN(C)CC[NH3+])n1 ZINC001170500862 837848816 /nfs/dbraw/zinc/84/88/16/837848816.db2.gz RSGOPZIHPAMPJS-UHFFFAOYSA-N 2 2 252.366 0.599 20 0 CCADLP COC(=O)Cc1ccc(NCCOCCOCC[NH3+])[nH+]c1 ZINC001170505951 837865333 /nfs/dbraw/zinc/86/53/33/837865333.db2.gz VRQGYVAEWAVBHC-UHFFFAOYSA-N 2 2 297.355 0.201 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCN2CCO[C@H]1C2 ZINC001170528023 837965702 /nfs/dbraw/zinc/96/57/02/837965702.db2.gz VXTTXHWOWPLDFX-KGLIPLIRSA-N 2 2 264.373 0.678 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCN2CCO[C@H]1C2 ZINC001170528023 837965703 /nfs/dbraw/zinc/96/57/03/837965703.db2.gz VXTTXHWOWPLDFX-KGLIPLIRSA-N 2 2 264.373 0.678 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2ncccc2n1 ZINC001158204180 837980809 /nfs/dbraw/zinc/98/08/09/837980809.db2.gz LMBJLGKOKDZOPI-SNVBAGLBSA-N 2 2 269.308 0.678 20 0 CCADLP COc1c[nH+]c(N[C@@H](C)[C@H]2C[NH2+]CCO2)nc1NC1CC1 ZINC001170558361 838079397 /nfs/dbraw/zinc/07/93/97/838079397.db2.gz OGVBZONOUNNWED-GXSJLCMTSA-N 2 2 293.371 0.848 20 0 CCADLP COC[C@@H](O)C[NH2+]CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001131560191 838142233 /nfs/dbraw/zinc/14/22/33/838142233.db2.gz BDJVMHZRPHDJID-ZDUSSCGKSA-N 2 2 295.383 0.334 20 0 CCADLP C[C@H]1CC[C@H](C[NH2+]CCNC(=O)CCc2[nH+]ccn2C)O1 ZINC001131653807 838168338 /nfs/dbraw/zinc/16/83/38/838168338.db2.gz VAVZRSJRRKQQIG-QWHCGFSZSA-N 2 2 294.399 0.626 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH2+]CCNC(=O)CCc2[nH+]ccn2C)O1 ZINC001131653806 838168451 /nfs/dbraw/zinc/16/84/51/838168451.db2.gz VAVZRSJRRKQQIG-OLZOCXBDSA-N 2 2 294.399 0.626 20 0 CCADLP C[C@@H](O)CCC[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132081985 838312613 /nfs/dbraw/zinc/31/26/13/838312613.db2.gz HWNCIPIXFFVYKD-GFCCVEGCSA-N 2 2 268.361 0.140 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]CCC(F)(F)F ZINC001132082680 838314709 /nfs/dbraw/zinc/31/47/09/838314709.db2.gz TXTNWMYAMRBLHJ-UHFFFAOYSA-N 2 2 278.278 0.931 20 0 CCADLP COCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001132533017 838427730 /nfs/dbraw/zinc/42/77/30/838427730.db2.gz IUYOEQKRCBITKH-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP COCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001132533017 838427734 /nfs/dbraw/zinc/42/77/34/838427734.db2.gz IUYOEQKRCBITKH-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP Cc1ccnc(C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C)n1 ZINC001133415714 838622633 /nfs/dbraw/zinc/62/26/33/838622633.db2.gz LHYGANXHGIXPAB-CQSZACIVSA-N 2 2 293.415 0.577 20 0 CCADLP CCN(C)c1cc(C)[nH+]c(N2CC3(C2)C[NH+](C)C3)n1 ZINC001158859410 838624441 /nfs/dbraw/zinc/62/44/41/838624441.db2.gz ALIXKZPEDWVNJL-UHFFFAOYSA-N 2 2 261.373 0.993 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)o1 ZINC001133865283 838755372 /nfs/dbraw/zinc/75/53/72/838755372.db2.gz BTSFPYWWUHRGGT-JQWIXIFHSA-N 2 2 280.372 0.387 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)o1 ZINC001133865283 838755377 /nfs/dbraw/zinc/75/53/77/838755377.db2.gz BTSFPYWWUHRGGT-JQWIXIFHSA-N 2 2 280.372 0.387 20 0 CCADLP COCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134546209 839003868 /nfs/dbraw/zinc/00/38/68/839003868.db2.gz XQILQLMXLIYLFV-NWDGAFQWSA-N 2 2 282.388 0.862 20 0 CCADLP COCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134546209 839003880 /nfs/dbraw/zinc/00/38/80/839003880.db2.gz XQILQLMXLIYLFV-NWDGAFQWSA-N 2 2 282.388 0.862 20 0 CCADLP C[NH+]1CCC(CC(=O)NCC[NH2+]Cc2csnn2)CC1 ZINC001134780739 839072947 /nfs/dbraw/zinc/07/29/47/839072947.db2.gz USPBCGZQMFIPNT-UHFFFAOYSA-N 2 2 297.428 0.476 20 0 CCADLP OC[C@H]1C[NH2+]C[C@H]1Nc1cc(N2CCCC2)[nH+]cn1 ZINC001170773908 839083369 /nfs/dbraw/zinc/08/33/69/839083369.db2.gz KICQEQFYSOXYCL-GHMZBOCLSA-N 2 2 263.345 0.069 20 0 CCADLP CC(C)COCC[NH2+]CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001135080634 839159206 /nfs/dbraw/zinc/15/92/06/839159206.db2.gz YRCBQIPFHXJYLC-CYBMUJFWSA-N 2 2 296.415 0.967 20 0 CCADLP CC(C)COCC[NH2+]CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001135080634 839159212 /nfs/dbraw/zinc/15/92/12/839159212.db2.gz YRCBQIPFHXJYLC-CYBMUJFWSA-N 2 2 296.415 0.967 20 0 CCADLP C[C@H](C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1)[NH2+]CCCO ZINC001135552544 839290107 /nfs/dbraw/zinc/29/01/07/839290107.db2.gz HODIHYDFXUGVAA-MNOVXSKESA-N 2 2 268.361 0.208 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CCc1ccns1 ZINC001135758088 839395239 /nfs/dbraw/zinc/39/52/39/839395239.db2.gz YFXJYUXYHZOQAE-UHFFFAOYSA-N 2 2 279.369 0.357 20 0 CCADLP COCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001135945189 839475621 /nfs/dbraw/zinc/47/56/21/839475621.db2.gz WGTAHLVBLLSRRV-VXGBXAGGSA-N 2 2 282.388 0.482 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[NH2+]CC23CC3)CN1 ZINC001246134678 839635445 /nfs/dbraw/zinc/63/54/45/839635445.db2.gz RPTOYINECNWOGG-SRVKXCTJSA-N 2 2 267.373 0.012 20 0 CCADLP CCN1CC[C@H]([NH2+][C@@H](CCCC[NH3+])C(=O)OC)CC1=O ZINC001246153837 839650260 /nfs/dbraw/zinc/65/02/60/839650260.db2.gz TUJYLTUOJMCLED-RYUDHWBXSA-N 2 2 285.388 0.258 20 0 CCADLP C([NH2+][C@H]1CCC[NH2+]C1)[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001246165829 839657162 /nfs/dbraw/zinc/65/71/62/839657162.db2.gz CKLIQXAMYJNCSZ-KBPBESRZSA-N 3 2 267.417 0.877 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[N@@H+](CC2CCC2)C[C@@H]1O ZINC001090602357 839667716 /nfs/dbraw/zinc/66/77/16/839667716.db2.gz YPWMJLDXYJVZKC-KBPBESRZSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[N@H+](CC2CCC2)C[C@@H]1O ZINC001090602357 839667717 /nfs/dbraw/zinc/66/77/17/839667717.db2.gz YPWMJLDXYJVZKC-KBPBESRZSA-N 2 2 292.383 0.304 20 0 CCADLP CC[C@H]([NH3+])CN[C@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246311467 839783361 /nfs/dbraw/zinc/78/33/61/839783361.db2.gz DGCGERPOGPAONO-AXFHLTTASA-N 2 2 257.378 0.386 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](O)C1 ZINC001090763809 839785881 /nfs/dbraw/zinc/78/58/81/839785881.db2.gz MGAJPQWVLNPHAO-WCQYABFASA-N 2 2 280.372 0.222 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](O)C1 ZINC001090763809 839785889 /nfs/dbraw/zinc/78/58/89/839785889.db2.gz MGAJPQWVLNPHAO-WCQYABFASA-N 2 2 280.372 0.222 20 0 CCADLP COCC[NH+]1CCC([NH2+][C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246358386 839819376 /nfs/dbraw/zinc/81/93/76/839819376.db2.gz DTZCPDNTTLIPLT-OCCSQVGLSA-N 3 2 255.406 0.827 20 0 CCADLP CC(C)C(=O)N1CC[C@H]([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246364321 839820779 /nfs/dbraw/zinc/82/07/79/839820779.db2.gz VNLUCABDILYODS-XQQFMLRXSA-N 2 2 253.390 0.973 20 0 CCADLP CC(C)C(=O)N1CC[C@H]([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246364314 839821469 /nfs/dbraw/zinc/82/14/69/839821469.db2.gz VNLUCABDILYODS-AGIUHOORSA-N 2 2 253.390 0.973 20 0 CCADLP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090846970 839851958 /nfs/dbraw/zinc/85/19/58/839851958.db2.gz KJNODBBHRRRPNG-ZIAGYGMSSA-N 2 2 292.383 0.401 20 0 CCADLP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090846970 839851964 /nfs/dbraw/zinc/85/19/64/839851964.db2.gz KJNODBBHRRRPNG-ZIAGYGMSSA-N 2 2 292.383 0.401 20 0 CCADLP CC(C)(C)[NH+]1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH]cn2)CC1 ZINC001160576789 840026988 /nfs/dbraw/zinc/02/69/88/840026988.db2.gz DLBHQNFFYLVCOS-LBPRGKRZSA-N 2 2 279.388 0.222 20 0 CCADLP CC(C)(C)[NH+]1CCN(C(=O)[C@@H]([NH3+])Cc2cnc[nH]2)CC1 ZINC001160576789 840026995 /nfs/dbraw/zinc/02/69/95/840026995.db2.gz DLBHQNFFYLVCOS-LBPRGKRZSA-N 2 2 279.388 0.222 20 0 CCADLP CC(C)(C)[C@H]1C[C@@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CC[NH2+]1 ZINC001246563170 840031359 /nfs/dbraw/zinc/03/13/59/840031359.db2.gz CGFMNCQDXFXEDK-UMSGYPCISA-N 3 2 255.406 0.547 20 0 CCADLP CC(C)(C)[C@H]1C[C@@H]([N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CC[NH2+]1 ZINC001246563170 840031366 /nfs/dbraw/zinc/03/13/66/840031366.db2.gz CGFMNCQDXFXEDK-UMSGYPCISA-N 3 2 255.406 0.547 20 0 CCADLP COC(=O)[C@H]1CC[N@H+](CC(=O)N2C[C@H](C)[NH+](C)C[C@H]2C)C1 ZINC001186100785 844510090 /nfs/dbraw/zinc/51/00/90/844510090.db2.gz HIRRHCAVIYANHM-XQQFMLRXSA-N 2 2 297.399 0.032 20 0 CCADLP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2C[C@H](C)[NH+](C)C[C@H]2C)C1 ZINC001186100785 844510095 /nfs/dbraw/zinc/51/00/95/844510095.db2.gz HIRRHCAVIYANHM-XQQFMLRXSA-N 2 2 297.399 0.032 20 0 CCADLP CO[C@H](C)C[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171239268 840174735 /nfs/dbraw/zinc/17/47/35/840174735.db2.gz ZSOFOBJUTZQZMA-LLVKDONJSA-N 2 2 268.361 0.093 20 0 CCADLP CCCC[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171244512 840185805 /nfs/dbraw/zinc/18/58/05/840185805.db2.gz PFNHYHIPOPEKLE-UHFFFAOYSA-N 2 2 252.362 0.859 20 0 CCADLP C[C@H]1C[C@H](N2CC[NH+](C3(C)CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC001246813218 840258817 /nfs/dbraw/zinc/25/88/17/840258817.db2.gz MAZFYWVGCLHTBN-LSDHHAIUSA-N 3 2 280.460 0.887 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N2CC([NH+]3CCCCC3)C2)C[NH2+]1 ZINC001246847767 840294831 /nfs/dbraw/zinc/29/48/31/840294831.db2.gz MNASIGUMWBYNNF-AAEUAGOBSA-N 2 2 267.373 0.060 20 0 CCADLP C[C@H](C[C@H](C)[NH2+]CCCO)NC(=O)Cn1cc[nH+]c1 ZINC001146770193 840359074 /nfs/dbraw/zinc/35/90/74/840359074.db2.gz HNIIHXOPIXYKMS-NWDGAFQWSA-N 2 2 268.361 0.138 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CCC1CCOCC1 ZINC001147871650 840709064 /nfs/dbraw/zinc/70/90/64/840709064.db2.gz GRQRWKGBWZRUDA-UHFFFAOYSA-N 2 2 294.399 0.485 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CC1CCC1 ZINC001147877463 840710913 /nfs/dbraw/zinc/71/09/13/840710913.db2.gz KUVKNGKZISMJIY-UHFFFAOYSA-N 2 2 250.346 0.469 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]CCNC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001147900738 840719106 /nfs/dbraw/zinc/71/91/06/840719106.db2.gz VBALNUQKKAQGEO-ZYHUDNBSSA-N 2 2 295.387 0.487 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]CCNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001147900738 840719114 /nfs/dbraw/zinc/71/91/14/840719114.db2.gz VBALNUQKKAQGEO-ZYHUDNBSSA-N 2 2 295.387 0.487 20 0 CCADLP CC(C)OCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186576243 844570561 /nfs/dbraw/zinc/57/05/61/844570561.db2.gz NVBAWQIZCWOLQA-GFCCVEGCSA-N 2 2 280.372 0.568 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001148638631 840874512 /nfs/dbraw/zinc/87/45/12/840874512.db2.gz KTQTWIIYLYIMNN-UHFFFAOYSA-N 2 2 295.387 0.495 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001148638631 840874520 /nfs/dbraw/zinc/87/45/20/840874520.db2.gz KTQTWIIYLYIMNN-UHFFFAOYSA-N 2 2 295.387 0.495 20 0 CCADLP CCN(C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C1C[NH+](C)C1 ZINC001161137466 840878495 /nfs/dbraw/zinc/87/84/95/840878495.db2.gz FHSLCXLAKALCSZ-ZDUSSCGKSA-N 3 2 280.416 0.023 20 0 CCADLP CCN(C(=O)[C@H]1CO[C@]2(C1)CCC[NH2+]CC2)C1C[NH+](C)C1 ZINC001161138296 840880014 /nfs/dbraw/zinc/88/00/14/840880014.db2.gz RFGPCSGTDKRUCA-CZUORRHYSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@]12CN(C(=O)CCn3cc[nH+]c3)C[C@H]1C[N@H+](CCO)C2 ZINC001091897909 840975879 /nfs/dbraw/zinc/97/58/79/840975879.db2.gz KHFSNRFURDZEIE-HIFRSBDPSA-N 2 2 292.383 0.046 20 0 CCADLP C[C@]12CN(C(=O)CCn3cc[nH+]c3)C[C@H]1C[N@@H+](CCO)C2 ZINC001091897909 840975886 /nfs/dbraw/zinc/97/58/86/840975886.db2.gz KHFSNRFURDZEIE-HIFRSBDPSA-N 2 2 292.383 0.046 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001092049740 840984984 /nfs/dbraw/zinc/98/49/84/840984984.db2.gz JWYLCKARXBKAII-JMSVASOKSA-N 2 2 292.383 0.113 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001092049740 840984990 /nfs/dbraw/zinc/98/49/90/840984990.db2.gz JWYLCKARXBKAII-JMSVASOKSA-N 2 2 292.383 0.113 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2C[N@H+](CCO)C[C@@]2(C)C1 ZINC001092232257 841004015 /nfs/dbraw/zinc/00/40/15/841004015.db2.gz DZDDPMZOUTYLDH-DOMZBBRYSA-N 2 2 292.383 0.033 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2C[N@@H+](CCO)C[C@@]2(C)C1 ZINC001092232257 841004020 /nfs/dbraw/zinc/00/40/20/841004020.db2.gz DZDDPMZOUTYLDH-DOMZBBRYSA-N 2 2 292.383 0.033 20 0 CCADLP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC001186833821 844602359 /nfs/dbraw/zinc/60/23/59/844602359.db2.gz JGBAJRLQDFLRLX-LLVKDONJSA-N 2 2 297.428 0.570 20 0 CCADLP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC001186833821 844602363 /nfs/dbraw/zinc/60/23/63/844602363.db2.gz JGBAJRLQDFLRLX-LLVKDONJSA-N 2 2 297.428 0.570 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]2[C@@H](CC[N@H+]2CCCO)C1 ZINC001036854278 841398041 /nfs/dbraw/zinc/39/80/41/841398041.db2.gz IRHMFZLJHNNRLS-STQMWFEESA-N 2 2 292.383 0.257 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]2[C@@H](CC[N@@H+]2CCCO)C1 ZINC001036854278 841398054 /nfs/dbraw/zinc/39/80/54/841398054.db2.gz IRHMFZLJHNNRLS-STQMWFEESA-N 2 2 292.383 0.257 20 0 CCADLP Cc1nc(NCCCNC(=O)C23CC[NH+](CC2)C3)cc[nH+]1 ZINC001094516481 841657087 /nfs/dbraw/zinc/65/70/87/841657087.db2.gz ZSGLUDDUILLCAS-UHFFFAOYSA-N 2 2 289.383 0.799 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2[C@H](CC[N@H+]2CCCO)C1 ZINC001036910776 841689562 /nfs/dbraw/zinc/68/95/62/841689562.db2.gz YZYLNGASWOFPQI-KGLIPLIRSA-N 2 2 292.383 0.188 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2[C@H](CC[N@@H+]2CCCO)C1 ZINC001036910776 841689565 /nfs/dbraw/zinc/68/95/65/841689565.db2.gz YZYLNGASWOFPQI-KGLIPLIRSA-N 2 2 292.383 0.188 20 0 CCADLP COCCC[NH+]1CCC([NH+]2CC(CC(=O)OC)C2)CC1 ZINC001172255708 841915635 /nfs/dbraw/zinc/91/56/35/841915635.db2.gz KZXQDLATFABDRG-UHFFFAOYSA-N 2 2 284.400 0.982 20 0 CCADLP CCOCC[C@H](C)n1c[nH+]cc1CCNC(=O)CC[NH3+] ZINC001172418622 841925929 /nfs/dbraw/zinc/92/59/29/841925929.db2.gz FQCUGAUCZMNYNB-LBPRGKRZSA-N 2 2 282.388 0.878 20 0 CCADLP CCOC(=O)[C@@H]([NH3+])Cc1cn([C@H]2CC[N@H+](CC)C2)cn1 ZINC001173355451 842056886 /nfs/dbraw/zinc/05/68/86/842056886.db2.gz BDPGLVWQTSLIGY-STQMWFEESA-N 2 2 280.372 0.583 20 0 CCADLP CCOC(=O)[C@@H]([NH3+])Cc1cn([C@H]2CC[N@@H+](CC)C2)cn1 ZINC001173355451 842056898 /nfs/dbraw/zinc/05/68/98/842056898.db2.gz BDPGLVWQTSLIGY-STQMWFEESA-N 2 2 280.372 0.583 20 0 CCADLP C[NH+]1CC(C[NH2+][C@@H]2CCC[C@H](n3ncnn3)C2)C1 ZINC001173756845 842150540 /nfs/dbraw/zinc/15/05/40/842150540.db2.gz LJSGIXVOPDYJRV-NEPJUHHUSA-N 2 2 250.350 0.308 20 0 CCADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173729335 842160149 /nfs/dbraw/zinc/16/01/49/842160149.db2.gz DOFNCLBNUGHRGK-IJLUTSLNSA-N 2 2 252.366 0.697 20 0 CCADLP Cc1nc([C@H](C)[NH2+]CCCNC(=O)C[NH+]2CCCC2)no1 ZINC001176110356 842328778 /nfs/dbraw/zinc/32/87/78/842328778.db2.gz MMEIDPDNSAQNNK-NSHDSACASA-N 2 2 295.387 0.631 20 0 CCADLP C[N@@H+]1CCC[C@H]1CCNC(=O)CCn1cc[nH+]c1 ZINC001176883524 842439607 /nfs/dbraw/zinc/43/96/07/842439607.db2.gz HZHSDUCMFWPOMS-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP C[N@H+]1CCC[C@H]1CCNC(=O)CCn1cc[nH+]c1 ZINC001176883524 842439613 /nfs/dbraw/zinc/43/96/13/842439613.db2.gz HZHSDUCMFWPOMS-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP CC[N@@H+]1CCO[C@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001177156748 842512207 /nfs/dbraw/zinc/51/22/07/842512207.db2.gz NWXNDJBNSFCFLS-KBPBESRZSA-N 2 2 283.416 0.648 20 0 CCADLP CC[N@H+]1CCO[C@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001177156748 842512212 /nfs/dbraw/zinc/51/22/12/842512212.db2.gz NWXNDJBNSFCFLS-KBPBESRZSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCO[C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]21 ZINC001177156748 842512221 /nfs/dbraw/zinc/51/22/21/842512221.db2.gz NWXNDJBNSFCFLS-KBPBESRZSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCO[C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]21 ZINC001177156748 842512225 /nfs/dbraw/zinc/51/22/25/842512225.db2.gz NWXNDJBNSFCFLS-KBPBESRZSA-N 2 2 283.416 0.648 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]CCOCC(F)F ZINC001177405018 842579183 /nfs/dbraw/zinc/57/91/83/842579183.db2.gz JMMMOMWSDXKHSL-UHFFFAOYSA-N 2 2 290.314 0.261 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)O1 ZINC001177405952 842579263 /nfs/dbraw/zinc/57/92/63/842579263.db2.gz SWGYVAHKJJDCAU-OLZOCXBDSA-N 2 2 280.372 0.547 20 0 CCADLP Cc1nc(C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)co1 ZINC001177405965 842579304 /nfs/dbraw/zinc/57/93/04/842579304.db2.gz UALPPKLMZFCSRF-UHFFFAOYSA-N 2 2 277.328 0.476 20 0 CCADLP CN(CC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)c1cccc[nH+]1 ZINC001177412168 842584530 /nfs/dbraw/zinc/58/45/30/842584530.db2.gz KGVDFUBMDDRRHQ-BETUJISGSA-N 2 2 274.368 0.538 20 0 CCADLP CN(CC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)c1cccc[nH+]1 ZINC001177412168 842584538 /nfs/dbraw/zinc/58/45/38/842584538.db2.gz KGVDFUBMDDRRHQ-BETUJISGSA-N 2 2 274.368 0.538 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001179617291 843028862 /nfs/dbraw/zinc/02/88/62/843028862.db2.gz DEQFOHSCRDOOPY-MDZLAQPJSA-N 2 2 280.372 0.566 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC001179783468 843049488 /nfs/dbraw/zinc/04/94/88/843049488.db2.gz QGMLTCSBNBGQET-SRVKXCTJSA-N 2 2 280.372 0.566 20 0 CCADLP CCOCCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001180287985 843142391 /nfs/dbraw/zinc/14/23/91/843142391.db2.gz QUXTZZDGKFTTDE-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP Nc1cc(CC(=O)N2CC[NH+]3CCC2CC3)cc[nH+]1 ZINC001181257790 843450263 /nfs/dbraw/zinc/45/02/63/843450263.db2.gz VGJBMBCQOPMAME-UHFFFAOYSA-N 2 2 260.341 0.513 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+]2C(C)C)CC1 ZINC001182838071 843927578 /nfs/dbraw/zinc/92/75/78/843927578.db2.gz LQFPQCLSHUUPTR-ZDUSSCGKSA-N 2 2 269.389 0.260 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+]2C(C)C)CC1 ZINC001182838071 843927583 /nfs/dbraw/zinc/92/75/83/843927583.db2.gz LQFPQCLSHUUPTR-ZDUSSCGKSA-N 2 2 269.389 0.260 20 0 CCADLP C[N@H+](CCCO)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189873874 845243468 /nfs/dbraw/zinc/24/34/68/845243468.db2.gz HFFIOGUUYASUAL-LBPRGKRZSA-N 2 2 280.372 0.257 20 0 CCADLP C[N@@H+](CCCO)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189873874 845243477 /nfs/dbraw/zinc/24/34/77/845243477.db2.gz HFFIOGUUYASUAL-LBPRGKRZSA-N 2 2 280.372 0.257 20 0 CCADLP Cc1nc(C[N@@H+](C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)co1 ZINC001192170074 845796629 /nfs/dbraw/zinc/79/66/29/845796629.db2.gz GTEVGNGBSUEXFL-CQSZACIVSA-N 2 2 294.399 0.967 20 0 CCADLP Cc1nc(C[N@H+](C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)co1 ZINC001192170074 845796634 /nfs/dbraw/zinc/79/66/34/845796634.db2.gz GTEVGNGBSUEXFL-CQSZACIVSA-N 2 2 294.399 0.967 20 0 CCADLP C[C@@H](O)CCC[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192551480 845865122 /nfs/dbraw/zinc/86/51/22/845865122.db2.gz PRWQNXAHKKWEKT-TZMCWYRMSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@@H](O)CCC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192551480 845865135 /nfs/dbraw/zinc/86/51/35/845865135.db2.gz PRWQNXAHKKWEKT-TZMCWYRMSA-N 2 2 294.399 0.646 20 0 CCADLP COC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192561125 845872028 /nfs/dbraw/zinc/87/20/28/845872028.db2.gz XPEFIBWJDMJUHN-DGCLKSJQSA-N 2 2 280.372 0.520 20 0 CCADLP COC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192561125 845872031 /nfs/dbraw/zinc/87/20/31/845872031.db2.gz XPEFIBWJDMJUHN-DGCLKSJQSA-N 2 2 280.372 0.520 20 0 CCADLP CC[C@H](C[N@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)OC ZINC001193048616 845965267 /nfs/dbraw/zinc/96/52/67/845965267.db2.gz SQJHWWRTTYCAKT-CHWSQXEVSA-N 2 2 294.399 0.910 20 0 CCADLP CC[C@H](C[N@@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)OC ZINC001193048616 845965268 /nfs/dbraw/zinc/96/52/68/845965268.db2.gz SQJHWWRTTYCAKT-CHWSQXEVSA-N 2 2 294.399 0.910 20 0 CCADLP CC[C@@H](C[N@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)OC ZINC001193048619 845965290 /nfs/dbraw/zinc/96/52/90/845965290.db2.gz SQJHWWRTTYCAKT-STQMWFEESA-N 2 2 294.399 0.910 20 0 CCADLP CC[C@@H](C[N@@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)OC ZINC001193048619 845965291 /nfs/dbraw/zinc/96/52/91/845965291.db2.gz SQJHWWRTTYCAKT-STQMWFEESA-N 2 2 294.399 0.910 20 0 CCADLP COC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001193460323 846080485 /nfs/dbraw/zinc/08/04/85/846080485.db2.gz AZAMPQVPQNKLJN-OLZOCXBDSA-N 2 2 294.399 0.530 20 0 CCADLP COC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001193460323 846080491 /nfs/dbraw/zinc/08/04/91/846080491.db2.gz AZAMPQVPQNKLJN-OLZOCXBDSA-N 2 2 294.399 0.530 20 0 CCADLP CCN(CC[NH2+]C[C@@H]1CCCOC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001273681244 846343697 /nfs/dbraw/zinc/34/36/97/846343697.db2.gz PGPKPBMESPDVFQ-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]CCO)C12CCC2 ZINC001203242036 846865434 /nfs/dbraw/zinc/86/54/34/846865434.db2.gz VITHZYKCRRTBMF-STQMWFEESA-N 2 2 292.383 0.283 20 0 CCADLP CCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001198151136 847053709 /nfs/dbraw/zinc/05/37/09/847053709.db2.gz KAGAWNRIYPQSOT-ZIAGYGMSSA-N 2 2 294.399 0.612 20 0 CCADLP CCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001198151136 847053713 /nfs/dbraw/zinc/05/37/13/847053713.db2.gz KAGAWNRIYPQSOT-ZIAGYGMSSA-N 2 2 294.399 0.612 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001152457440 847120220 /nfs/dbraw/zinc/12/02/20/847120220.db2.gz DTKAQXCYACKGBK-LBPRGKRZSA-N 2 2 281.360 0.150 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001152457440 847120228 /nfs/dbraw/zinc/12/02/28/847120228.db2.gz DTKAQXCYACKGBK-LBPRGKRZSA-N 2 2 281.360 0.150 20 0 CCADLP OCC[C@@H]1C[N@H+](CCCn2cc[nH+]c2)C[C@H]1CO ZINC001198752007 847161672 /nfs/dbraw/zinc/16/16/72/847161672.db2.gz HTBVRJNLCJPHET-OLZOCXBDSA-N 2 2 253.346 0.196 20 0 CCADLP OCC[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)C[C@H]1CO ZINC001198752007 847161675 /nfs/dbraw/zinc/16/16/75/847161675.db2.gz HTBVRJNLCJPHET-OLZOCXBDSA-N 2 2 253.346 0.196 20 0 CCADLP CN(c1ccc2[nH]c[nH+]c2c1)S(=O)(=O)CC[NH3+] ZINC000082619848 847705481 /nfs/dbraw/zinc/70/54/81/847705481.db2.gz IZVLMBUINAPVEX-UHFFFAOYSA-N 2 2 254.315 0.288 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCCO[C@@H](C[NH2+]CCF)C1 ZINC001201104577 847721790 /nfs/dbraw/zinc/72/17/90/847721790.db2.gz PRTYDSDVLIHELC-ZDUSSCGKSA-N 2 2 298.362 0.450 20 0 CCADLP CCOC(=O)[C@H]1CC[N@H+](C[C@@H](O)C[NH+](CC)CC)C1 ZINC001253189064 848154265 /nfs/dbraw/zinc/15/42/65/848154265.db2.gz FKYFLGAPHIBGJH-STQMWFEESA-N 2 2 272.389 0.574 20 0 CCADLP CCOC(=O)[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](CC)CC)C1 ZINC001253189064 848154269 /nfs/dbraw/zinc/15/42/69/848154269.db2.gz FKYFLGAPHIBGJH-STQMWFEESA-N 2 2 272.389 0.574 20 0 CCADLP C[C@@H](O)[C@@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000717319728 848227578 /nfs/dbraw/zinc/22/75/78/848227578.db2.gz WLOXNOCSKCGXSF-RISCZKNCSA-N 2 2 261.325 0.704 20 0 CCADLP COC[C@@H](C)OC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000717441080 848262654 /nfs/dbraw/zinc/26/26/54/848262654.db2.gz OSMXBXFQCYUKOA-KBXIAJHMSA-N 2 2 286.416 0.567 20 0 CCADLP COC[C@@H](C)OC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000717441080 848262659 /nfs/dbraw/zinc/26/26/59/848262659.db2.gz OSMXBXFQCYUKOA-KBXIAJHMSA-N 2 2 286.416 0.567 20 0 CCADLP COC[C@@H](C)OC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000717441080 848262664 /nfs/dbraw/zinc/26/26/64/848262664.db2.gz OSMXBXFQCYUKOA-KBXIAJHMSA-N 2 2 286.416 0.567 20 0 CCADLP COC[C@@H](C)OC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000717441080 848262669 /nfs/dbraw/zinc/26/26/69/848262669.db2.gz OSMXBXFQCYUKOA-KBXIAJHMSA-N 2 2 286.416 0.567 20 0 CCADLP COCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001274258712 848433016 /nfs/dbraw/zinc/43/30/16/848433016.db2.gz BKQZPCBEDMPPBS-CMPLNLGQSA-N 2 2 266.345 0.035 20 0 CCADLP OC[C@H](CC(F)(F)F)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000717817483 848503040 /nfs/dbraw/zinc/50/30/40/848503040.db2.gz HZSUAZOKIRQHGZ-WYVINJBVSA-N 2 2 264.291 0.886 20 0 CCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1ccccn1 ZINC001275872019 848852254 /nfs/dbraw/zinc/85/22/54/848852254.db2.gz AJLPHNVDWPNOTQ-GASCZTMLSA-N 2 2 260.385 0.902 20 0 CCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1ccccn1 ZINC001275872019 848852257 /nfs/dbraw/zinc/85/22/57/848852257.db2.gz AJLPHNVDWPNOTQ-GASCZTMLSA-N 2 2 260.385 0.902 20 0 CCADLP CCn1cc(C[NH+]2CC3(C2)CCN(CC[NH+](C)C)C3)cn1 ZINC001276244150 848971262 /nfs/dbraw/zinc/97/12/62/848971262.db2.gz QKMYPWCMXASVPR-UHFFFAOYSA-N 2 2 291.443 0.972 20 0 CCADLP Cc1ncc(C[NH2+]CCCN(C)C(=O)Cc2[nH]cc[nH+]2)o1 ZINC001276298143 848989021 /nfs/dbraw/zinc/98/90/21/848989021.db2.gz PWSTZDPCPMHQBK-UHFFFAOYSA-N 2 2 291.355 0.887 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001111338517 849173935 /nfs/dbraw/zinc/17/39/35/849173935.db2.gz RIBBDKXXCJRHGJ-BNOWGMLFSA-N 2 2 292.383 0.067 20 0 CCADLP CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001037084489 849328283 /nfs/dbraw/zinc/32/82/83/849328283.db2.gz ADHKDFLQPATCJF-PWSUYJOCSA-N 2 2 250.346 0.847 20 0 CCADLP COc1cncc(C[NH+]2CC3(CN(CC[NH+](C)C)C3)C2)c1 ZINC001276327849 849424327 /nfs/dbraw/zinc/42/43/27/849424327.db2.gz AHYKUPRDZVPAOR-UHFFFAOYSA-N 2 2 290.411 0.769 20 0 CCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720812760 849542742 /nfs/dbraw/zinc/54/27/42/849542742.db2.gz DWIJNOWHSSRFNI-MBNYWOFBSA-N 2 2 253.390 0.785 20 0 CCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720812760 849542748 /nfs/dbraw/zinc/54/27/48/849542748.db2.gz DWIJNOWHSSRFNI-MBNYWOFBSA-N 2 2 253.390 0.785 20 0 CCADLP CC(C)OCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC001114888323 849574156 /nfs/dbraw/zinc/57/41/56/849574156.db2.gz FEEMLLNYXWPEMM-NHAGDIPZSA-N 2 2 292.383 0.424 20 0 CCADLP CC(C)OCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC001114888323 849574163 /nfs/dbraw/zinc/57/41/63/849574163.db2.gz FEEMLLNYXWPEMM-NHAGDIPZSA-N 2 2 292.383 0.424 20 0 CCADLP CC[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1[NH2+]CCO ZINC001037969234 849613927 /nfs/dbraw/zinc/61/39/27/849613927.db2.gz WCLBMXMOJGCSSB-GXTWGEPZSA-N 2 2 294.399 0.172 20 0 CCADLP COCC[N@@H+]1CC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001038648497 849967813 /nfs/dbraw/zinc/96/78/13/849967813.db2.gz WIFHBTNETHPSHN-ZDUSSCGKSA-N 2 2 295.383 0.792 20 0 CCADLP COCC[N@H+]1CC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001038648497 849967826 /nfs/dbraw/zinc/96/78/26/849967826.db2.gz WIFHBTNETHPSHN-ZDUSSCGKSA-N 2 2 295.383 0.792 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001041241372 850412285 /nfs/dbraw/zinc/41/22/85/850412285.db2.gz CROVUJFENZBOGH-HNNXBMFYSA-N 2 2 292.383 0.259 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001041241372 850412289 /nfs/dbraw/zinc/41/22/89/850412289.db2.gz CROVUJFENZBOGH-HNNXBMFYSA-N 2 2 292.383 0.259 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001041759778 850497651 /nfs/dbraw/zinc/49/76/51/850497651.db2.gz WYNDDVOWRVGPOB-IUODEOHRSA-N 2 2 292.383 0.257 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001041759778 850497653 /nfs/dbraw/zinc/49/76/53/850497653.db2.gz WYNDDVOWRVGPOB-IUODEOHRSA-N 2 2 292.383 0.257 20 0 CCADLP C[C@H](O)C[NH+]1CC(N(C)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001043355663 850858701 /nfs/dbraw/zinc/85/87/01/850858701.db2.gz QXYMJAXTBUASAF-NSHDSACASA-N 2 2 288.351 0.471 20 0 CCADLP CN(C(=O)Cn1cc[nH+]c1)C1C[NH+](CC[C@@H]2CCCO2)C1 ZINC001044364983 851086634 /nfs/dbraw/zinc/08/66/34/851086634.db2.gz HBRGAAUDLAPLHO-AWEZNQCLSA-N 2 2 292.383 0.595 20 0 CCADLP CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001045319244 851235247 /nfs/dbraw/zinc/23/52/47/851235247.db2.gz YRMFUAWGBURIGD-GJZGRUSLSA-N 2 2 295.427 0.698 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCO ZINC001045899824 851329315 /nfs/dbraw/zinc/32/93/15/851329315.db2.gz LWZOTBYCOFTJRT-KGLIPLIRSA-N 2 2 292.383 0.331 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCO ZINC001045899824 851329324 /nfs/dbraw/zinc/32/93/24/851329324.db2.gz LWZOTBYCOFTJRT-KGLIPLIRSA-N 2 2 292.383 0.331 20 0 CCADLP CC[N@@H+]1CC[C@@H](N2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001046088400 851365724 /nfs/dbraw/zinc/36/57/24/851365724.db2.gz MSAMZUBBVKVAQH-CQSZACIVSA-N 2 2 291.399 0.122 20 0 CCADLP CC[N@H+]1CC[C@@H](N2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001046088400 851365737 /nfs/dbraw/zinc/36/57/37/851365737.db2.gz MSAMZUBBVKVAQH-CQSZACIVSA-N 2 2 291.399 0.122 20 0 CCADLP CCCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046218582 851427615 /nfs/dbraw/zinc/42/76/15/851427615.db2.gz LDOSDKBWHCXIEI-ZFWWWQNUSA-N 2 2 283.416 0.698 20 0 CCADLP CCCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046218582 851427604 /nfs/dbraw/zinc/42/76/04/851427604.db2.gz LDOSDKBWHCXIEI-ZFWWWQNUSA-N 2 2 283.416 0.698 20 0 CCADLP CCCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001046218582 851427624 /nfs/dbraw/zinc/42/76/24/851427624.db2.gz LDOSDKBWHCXIEI-ZFWWWQNUSA-N 2 2 283.416 0.698 20 0 CCADLP CCCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001046218582 851427632 /nfs/dbraw/zinc/42/76/32/851427632.db2.gz LDOSDKBWHCXIEI-ZFWWWQNUSA-N 2 2 283.416 0.698 20 0 CCADLP CC(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046220379 851428318 /nfs/dbraw/zinc/42/83/18/851428318.db2.gz SUBHWRKZAKZORL-HOCLYGCPSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046220379 851428323 /nfs/dbraw/zinc/42/83/23/851428323.db2.gz SUBHWRKZAKZORL-HOCLYGCPSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001046220379 851428326 /nfs/dbraw/zinc/42/83/26/851428326.db2.gz SUBHWRKZAKZORL-HOCLYGCPSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001046220379 851428330 /nfs/dbraw/zinc/42/83/30/851428330.db2.gz SUBHWRKZAKZORL-HOCLYGCPSA-N 2 2 297.443 0.944 20 0 CCADLP CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001047426153 851762072 /nfs/dbraw/zinc/76/20/72/851762072.db2.gz FTKWDYOCGJBTFQ-STQMWFEESA-N 2 2 294.399 0.450 20 0 CCADLP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001047426153 851762079 /nfs/dbraw/zinc/76/20/79/851762079.db2.gz FTKWDYOCGJBTFQ-STQMWFEESA-N 2 2 294.399 0.450 20 0 CCADLP CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC001048001375 851881484 /nfs/dbraw/zinc/88/14/84/851881484.db2.gz SEHAPQDODYPOGY-KGLIPLIRSA-N 2 2 297.443 0.944 20 0 CCADLP CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001048438021 851958490 /nfs/dbraw/zinc/95/84/90/851958490.db2.gz MYRPVPACHDJRGY-RYUDHWBXSA-N 2 2 264.373 0.667 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC001048970767 852123799 /nfs/dbraw/zinc/12/37/99/852123799.db2.gz VGRCEDFBCCBUOU-OKILXGFUSA-N 2 2 292.383 0.046 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001048970767 852123800 /nfs/dbraw/zinc/12/38/00/852123800.db2.gz VGRCEDFBCCBUOU-OKILXGFUSA-N 2 2 292.383 0.046 20 0 CCADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCO[C@@]23CCOC3)C1 ZINC000903104683 852138832 /nfs/dbraw/zinc/13/88/32/852138832.db2.gz KXHTYGMVHPNPID-MGPQQGTHSA-N 2 2 254.374 0.866 20 0 CCADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCO[C@@]23CCOC3)C1 ZINC000903104683 852138836 /nfs/dbraw/zinc/13/88/36/852138836.db2.gz KXHTYGMVHPNPID-MGPQQGTHSA-N 2 2 254.374 0.866 20 0 CCADLP CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049926854 852397512 /nfs/dbraw/zinc/39/75/12/852397512.db2.gz FRZQYQDADKNBSH-OLZOCXBDSA-N 2 2 262.357 0.968 20 0 CCADLP CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049926854 852397523 /nfs/dbraw/zinc/39/75/23/852397523.db2.gz FRZQYQDADKNBSH-OLZOCXBDSA-N 2 2 262.357 0.968 20 0 CCADLP COC[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970165 852678388 /nfs/dbraw/zinc/67/83/88/852678388.db2.gz FOWYSILHEJUQJQ-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP COC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970165 852678390 /nfs/dbraw/zinc/67/83/90/852678390.db2.gz FOWYSILHEJUQJQ-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)CCO2 ZINC001053540849 852755931 /nfs/dbraw/zinc/75/59/31/852755931.db2.gz JDMSFEGOALXXME-ZIAGYGMSSA-N 2 2 295.427 0.792 20 0 CCADLP CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)O2 ZINC001053582619 852765404 /nfs/dbraw/zinc/76/54/04/852765404.db2.gz ITKCOEGVEBNONU-QWHCGFSZSA-N 2 2 281.400 0.450 20 0 CCADLP CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)O2 ZINC001053582619 852765406 /nfs/dbraw/zinc/76/54/06/852765406.db2.gz ITKCOEGVEBNONU-QWHCGFSZSA-N 2 2 281.400 0.450 20 0 CCADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)CO2 ZINC001053798910 852825092 /nfs/dbraw/zinc/82/50/92/852825092.db2.gz HABZFBHGBKVGNC-KGLIPLIRSA-N 2 2 295.427 0.839 20 0 CCADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)CO2 ZINC001053798910 852825100 /nfs/dbraw/zinc/82/51/00/852825100.db2.gz HABZFBHGBKVGNC-KGLIPLIRSA-N 2 2 295.427 0.839 20 0 CCADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)CO2 ZINC001053847119 852832480 /nfs/dbraw/zinc/83/24/80/852832480.db2.gz ZLEDGWNGNBQRHV-CHWSQXEVSA-N 2 2 281.400 0.450 20 0 CCADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)CO2 ZINC001053847119 852832482 /nfs/dbraw/zinc/83/24/82/852832482.db2.gz ZLEDGWNGNBQRHV-CHWSQXEVSA-N 2 2 281.400 0.450 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)CO2 ZINC001054016486 852870151 /nfs/dbraw/zinc/87/01/51/852870151.db2.gz CPTZAPONOZVDDP-UONOGXRCSA-N 2 2 295.427 0.840 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCC[N@H+]1CC)CO2 ZINC001054016486 852870157 /nfs/dbraw/zinc/87/01/57/852870157.db2.gz CPTZAPONOZVDDP-UONOGXRCSA-N 2 2 295.427 0.840 20 0 CCADLP O=C1CCC[C@@H](C[NH2+][C@@H]2CC3CC[NH+](CC3)C2)N1 ZINC001254852210 852908494 /nfs/dbraw/zinc/90/84/94/852908494.db2.gz RRSUCYCCWCCUTD-QWHCGFSZSA-N 2 2 251.374 0.729 20 0 CCADLP C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]CCF ZINC001054721053 853003358 /nfs/dbraw/zinc/00/33/58/853003358.db2.gz MQQPBSQHGQTKSR-CMPLNLGQSA-N 2 2 268.336 0.748 20 0 CCADLP C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]CCF ZINC001054721053 853003367 /nfs/dbraw/zinc/00/33/67/853003367.db2.gz MQQPBSQHGQTKSR-CMPLNLGQSA-N 2 2 268.336 0.748 20 0 CCADLP C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1[NH2+]CCF ZINC001054925534 853039113 /nfs/dbraw/zinc/03/91/13/853039113.db2.gz QJZGSMXYDJXZBO-RYUDHWBXSA-N 2 2 282.363 0.759 20 0 CCADLP COCC[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001050214490 853337220 /nfs/dbraw/zinc/33/72/20/853337220.db2.gz OQJZXFOFRONLEY-UONOGXRCSA-N 2 2 292.383 0.452 20 0 CCADLP COCC[N@H+]1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001050214490 853337226 /nfs/dbraw/zinc/33/72/26/853337226.db2.gz OQJZXFOFRONLEY-UONOGXRCSA-N 2 2 292.383 0.452 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC2(C1)CC[NH+](CCF)CC2 ZINC001050681637 853412979 /nfs/dbraw/zinc/41/29/79/853412979.db2.gz NXWJPRUXJYDFBR-UHFFFAOYSA-N 2 2 280.347 0.846 20 0 CCADLP CC[NH+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001050682265 853413050 /nfs/dbraw/zinc/41/30/50/853413050.db2.gz XLVTXVGECUDXEU-UHFFFAOYSA-N 2 2 262.357 0.897 20 0 CCADLP CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001050921098 853486388 /nfs/dbraw/zinc/48/63/88/853486388.db2.gz OCWKPSLABJOWGZ-CABCVRRESA-N 2 2 295.427 0.555 20 0 CCADLP CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001050921098 853486391 /nfs/dbraw/zinc/48/63/91/853486391.db2.gz OCWKPSLABJOWGZ-CABCVRRESA-N 2 2 295.427 0.555 20 0 CCADLP CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001050930776 853488580 /nfs/dbraw/zinc/48/85/80/853488580.db2.gz KWXYPGUVXHKTQC-QLFBSQMISA-N 2 2 297.443 0.944 20 0 CCADLP CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001050930776 853488583 /nfs/dbraw/zinc/48/85/83/853488583.db2.gz KWXYPGUVXHKTQC-QLFBSQMISA-N 2 2 297.443 0.944 20 0 CCADLP CCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001050930776 853488586 /nfs/dbraw/zinc/48/85/86/853488586.db2.gz KWXYPGUVXHKTQC-QLFBSQMISA-N 2 2 297.443 0.944 20 0 CCADLP CCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001050930776 853488588 /nfs/dbraw/zinc/48/85/88/853488588.db2.gz KWXYPGUVXHKTQC-QLFBSQMISA-N 2 2 297.443 0.944 20 0 CCADLP CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CCO1 ZINC001051690991 853624631 /nfs/dbraw/zinc/62/46/31/853624631.db2.gz WRDLFXJIBNDYHO-OLZOCXBDSA-N 2 2 292.383 0.282 20 0 CCADLP CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CCO1 ZINC001051690296 853624746 /nfs/dbraw/zinc/62/47/46/853624746.db2.gz GCSLMOFUVQWASL-OCCSQVGLSA-N 2 2 292.383 0.282 20 0 CCADLP CC(C)[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CCO1 ZINC001051730537 853636105 /nfs/dbraw/zinc/63/61/05/853636105.db2.gz CKDKOIFKJAZERL-CYBMUJFWSA-N 2 2 294.399 0.578 20 0 CCADLP CC(C)NC(=O)[C@H](C)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000385598078 853896459 /nfs/dbraw/zinc/89/64/59/853896459.db2.gz KLMFQZBLJAERPR-RJRAAQABSA-N 2 2 251.374 0.486 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397313795 854412309 /nfs/dbraw/zinc/41/23/09/854412309.db2.gz KPILUUBQICAWGM-KBXIAJHMSA-N 3 2 287.448 0.231 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397313795 854412313 /nfs/dbraw/zinc/41/23/13/854412313.db2.gz KPILUUBQICAWGM-KBXIAJHMSA-N 3 2 287.448 0.231 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397313795 854412319 /nfs/dbraw/zinc/41/23/19/854412319.db2.gz KPILUUBQICAWGM-KBXIAJHMSA-N 3 2 287.448 0.231 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397313795 854412323 /nfs/dbraw/zinc/41/23/23/854412323.db2.gz KPILUUBQICAWGM-KBXIAJHMSA-N 3 2 287.448 0.231 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001073049116 854520361 /nfs/dbraw/zinc/52/03/61/854520361.db2.gz WQTHVTWAIYUTKY-GFCCVEGCSA-N 2 2 292.383 0.115 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001073049116 854520364 /nfs/dbraw/zinc/52/03/64/854520364.db2.gz WQTHVTWAIYUTKY-GFCCVEGCSA-N 2 2 292.383 0.115 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001073049116 854520366 /nfs/dbraw/zinc/52/03/66/854520366.db2.gz WQTHVTWAIYUTKY-GFCCVEGCSA-N 2 2 292.383 0.115 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001073049116 854520368 /nfs/dbraw/zinc/52/03/68/854520368.db2.gz WQTHVTWAIYUTKY-GFCCVEGCSA-N 2 2 292.383 0.115 20 0 CCADLP CCC[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001073486239 854564707 /nfs/dbraw/zinc/56/47/07/854564707.db2.gz XCSFLDKKDKELNW-UHFFFAOYSA-N 2 2 262.357 0.827 20 0 CCADLP CCC[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001073486239 854564717 /nfs/dbraw/zinc/56/47/17/854564717.db2.gz XCSFLDKKDKELNW-UHFFFAOYSA-N 2 2 262.357 0.827 20 0 CCADLP COC[C@@H](C)[NH2+]C1CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001100551897 855186073 /nfs/dbraw/zinc/18/60/73/855186073.db2.gz ZOEFMGZAHLFZPW-IYXRBSQSSA-N 2 2 294.399 0.793 20 0 CCADLP COCCC[NH2+]C1CC(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001100918223 855239063 /nfs/dbraw/zinc/23/90/63/855239063.db2.gz JUWNKIUBLIMKGW-UHFFFAOYSA-N 2 2 294.399 0.782 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[N@H+](C)C1CC[NH+](C)CC1 ZINC001256334535 855249408 /nfs/dbraw/zinc/24/94/08/855249408.db2.gz JFMTYXIVOXYOOH-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001256334535 855249414 /nfs/dbraw/zinc/24/94/14/855249414.db2.gz JFMTYXIVOXYOOH-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP Cc1nc(NCCN(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)cc[nH+]1 ZINC001101971579 855401747 /nfs/dbraw/zinc/40/17/47/855401747.db2.gz XYLVVALTEGLWAB-AAEUAGOBSA-N 2 2 291.399 0.853 20 0 CCADLP 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C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CC[C@@H]([NH2+]CCO)C1 ZINC001397167790 914078651 /nfs/dbraw/zinc/07/86/51/914078651.db2.gz DZNVWZPBXAHMFM-RWMBFGLXSA-N 2 2 294.399 0.455 20 0 CCADLP C[C@H](O)C[N@H+](C)CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001484761819 896581931 /nfs/dbraw/zinc/58/19/31/896581931.db2.gz ZKTLRTCVIPPYJK-NSHDSACASA-N 2 2 268.361 0.113 20 0 CCADLP C[C@H](O)C[N@@H+](C)CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001484761819 896581940 /nfs/dbraw/zinc/58/19/40/896581940.db2.gz ZKTLRTCVIPPYJK-NSHDSACASA-N 2 2 268.361 0.113 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC1(C[NH2+]CCF)CCOCC1 ZINC001484869128 896639238 /nfs/dbraw/zinc/63/92/38/896639238.db2.gz JQWWZGABBWRCKN-UHFFFAOYSA-N 2 2 284.335 0.177 20 0 CCADLP COCC[NH2+][C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001484908723 896661011 /nfs/dbraw/zinc/66/10/11/896661011.db2.gz ZPPDETBLCYYDMA-OCCSQVGLSA-N 2 2 294.399 0.436 20 0 CCADLP CO[C@@H](C)C[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001485072826 896754653 /nfs/dbraw/zinc/75/46/53/896754653.db2.gz IXPBULDUHXZHOF-STQMWFEESA-N 2 2 294.399 0.910 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001485072826 896754659 /nfs/dbraw/zinc/75/46/59/896754659.db2.gz IXPBULDUHXZHOF-STQMWFEESA-N 2 2 294.399 0.910 20 0 CCADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)[NH2+]Cc1ccnn1C ZINC001485204788 896860699 /nfs/dbraw/zinc/86/06/99/896860699.db2.gz LMNDITIZCOVVGW-GHMZBOCLSA-N 2 2 290.371 0.369 20 0 CCADLP CC(C)CC[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001486310956 898784246 /nfs/dbraw/zinc/78/42/46/898784246.db2.gz AKELUGFBAZVMTQ-AWEZNQCLSA-N 2 2 296.415 0.418 20 0 CCADLP CCO[C@@H]1C[N@H+](Cc2cnc(C)cn2)C[C@H]1C[NH3+] ZINC000710434995 899052363 /nfs/dbraw/zinc/05/23/63/899052363.db2.gz KQKQBJFJOUNRKA-DGCLKSJQSA-N 2 2 250.346 0.581 20 0 CCADLP CCO[C@@H]1C[N@@H+](Cc2cnc(C)cn2)C[C@H]1C[NH3+] ZINC000710434995 899052377 /nfs/dbraw/zinc/05/23/77/899052377.db2.gz KQKQBJFJOUNRKA-DGCLKSJQSA-N 2 2 250.346 0.581 20 0 CCADLP Cc1noc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001410491301 899437276 /nfs/dbraw/zinc/43/72/76/899437276.db2.gz KKFHTGHPTWKFIN-JQWIXIFHSA-N 2 2 295.387 0.266 20 0 CCADLP Cc1noc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001410491301 899437283 /nfs/dbraw/zinc/43/72/83/899437283.db2.gz KKFHTGHPTWKFIN-JQWIXIFHSA-N 2 2 295.387 0.266 20 0 CCADLP C[C@@H](F)CC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001415114516 899684394 /nfs/dbraw/zinc/68/43/94/899684394.db2.gz SFQVROXSJLDXIS-OLZOCXBDSA-N 2 2 287.379 0.209 20 0 CCADLP C[C@@H](F)CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001415114516 899684403 /nfs/dbraw/zinc/68/44/03/899684403.db2.gz SFQVROXSJLDXIS-OLZOCXBDSA-N 2 2 287.379 0.209 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]C[C@H]1CCCCO1 ZINC001134397911 899833256 /nfs/dbraw/zinc/83/32/56/899833256.db2.gz YOJMERRLRBITEE-GFCCVEGCSA-N 2 2 266.345 0.227 20 0 CCADLP CCOCC[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001134521687 899836474 /nfs/dbraw/zinc/83/64/74/899836474.db2.gz NGVXLLWAJUJYHG-LBPRGKRZSA-N 2 2 268.361 0.577 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1C[C@@H]([NH2+]CC2CC2)C1 ZINC001488780331 900376118 /nfs/dbraw/zinc/37/61/18/900376118.db2.gz OXPPZWNNUJTSIP-TXEJJXNPSA-N 2 2 262.357 0.847 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001490737538 900713192 /nfs/dbraw/zinc/71/31/92/900713192.db2.gz LCWJOTXWJMJPJF-YGRLFVJLSA-N 2 2 294.399 0.780 20 0 CCADLP O[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Cn1ccnn1 ZINC001308430077 901087487 /nfs/dbraw/zinc/08/74/87/901087487.db2.gz ACUSSSYMSSQAKE-HNNXBMFYSA-N 2 2 298.350 0.615 20 0 CCADLP O=C(N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1)C12CCC[NH+]1CCC2 ZINC001412169625 901518909 /nfs/dbraw/zinc/51/89/09/901518909.db2.gz HEKGDEAFGIDZFS-STQMWFEESA-N 2 2 281.375 0.869 20 0 CCADLP O=C(N1CC[N@H+]2C[C@@H](F)C[C@H]2C1)C12CCC[NH+]1CCC2 ZINC001412169625 901518919 /nfs/dbraw/zinc/51/89/19/901518919.db2.gz HEKGDEAFGIDZFS-STQMWFEESA-N 2 2 281.375 0.869 20 0 CCADLP CCCCNC(=O)CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC001326716113 901871940 /nfs/dbraw/zinc/87/19/40/901871940.db2.gz HCHCPPZOWRUMAC-UHFFFAOYSA-N 2 2 279.388 0.838 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+]C1(C(=O)NCC2CC2)CCCC1 ZINC001412975562 902421486 /nfs/dbraw/zinc/42/14/86/902421486.db2.gz ZAYSBRGFEDJISJ-CQSZACIVSA-N 2 2 297.443 0.728 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+]C1(C(=O)NCC2CC2)CCCC1 ZINC001412975562 902421496 /nfs/dbraw/zinc/42/14/96/902421496.db2.gz ZAYSBRGFEDJISJ-CQSZACIVSA-N 2 2 297.443 0.728 20 0 CCADLP C[C@H](O)[C@H](C)[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001413051148 902588737 /nfs/dbraw/zinc/58/87/37/902588737.db2.gz VAGCQGAOODEIGS-STQMWFEESA-N 2 2 283.416 0.562 20 0 CCADLP CCC(=O)NC1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC001413064745 902654241 /nfs/dbraw/zinc/65/42/41/902654241.db2.gz XLSVGIJSRSVNCA-AWEZNQCLSA-N 2 2 285.432 0.678 20 0 CCADLP CCC(=O)NC1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC001413064745 902654247 /nfs/dbraw/zinc/65/42/47/902654247.db2.gz XLSVGIJSRSVNCA-AWEZNQCLSA-N 2 2 285.432 0.678 20 0 CCADLP C[C@H](C[NH2+]Cc1nn(C)cc1Cl)N1CC[NH+](C)CC1 ZINC001413120400 902721734 /nfs/dbraw/zinc/72/17/34/902721734.db2.gz BPXFTVHIROUVGK-LLVKDONJSA-N 2 2 285.823 0.799 20 0 CCADLP C[NH+](C)CCCS(=O)(=O)NCc1c[nH+]c2n1CCC2 ZINC001413432126 902948820 /nfs/dbraw/zinc/94/88/20/902948820.db2.gz OIKYKTIGZQCCHV-UHFFFAOYSA-N 2 2 286.401 0.200 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC001493241646 903188595 /nfs/dbraw/zinc/18/85/95/903188595.db2.gz VOJYFLRHIPJPHH-QWHCGFSZSA-N 2 2 292.383 0.427 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001493241646 903188604 /nfs/dbraw/zinc/18/86/04/903188604.db2.gz VOJYFLRHIPJPHH-QWHCGFSZSA-N 2 2 292.383 0.427 20 0 CCADLP Cc1noc(C[NH2+][C@@H](C)CNC(=O)Cn2c[nH+]cc2C)n1 ZINC001491530760 903645543 /nfs/dbraw/zinc/64/55/43/903645543.db2.gz YMFKRQHDPHLEIG-VIFPVBQESA-N 2 2 292.343 0.177 20 0 CCADLP FC1(F)C[NH2+]CCN(Cc2ccc3n2CC[NH2+]C3)C1 ZINC001211340720 903835192 /nfs/dbraw/zinc/83/51/92/903835192.db2.gz BNFARLZZXWFABD-UHFFFAOYSA-N 2 2 270.327 0.632 20 0 CCADLP COCC[NH2+]C1CCC(N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001282271329 904440003 /nfs/dbraw/zinc/44/00/03/904440003.db2.gz VDSSKNHGISETGO-UHFFFAOYSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@@H](CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CCCO ZINC001283630909 904938306 /nfs/dbraw/zinc/93/83/06/904938306.db2.gz SBSQXDRZHTULFJ-STQMWFEESA-N 2 2 294.399 0.264 20 0 CCADLP C[C@@H](CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CCCO ZINC001283630908 904939045 /nfs/dbraw/zinc/93/90/45/904939045.db2.gz SBSQXDRZHTULFJ-QWHCGFSZSA-N 2 2 294.399 0.264 20 0 CCADLP CCOCC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC001284029524 905125083 /nfs/dbraw/zinc/12/50/83/905125083.db2.gz FBOUDBHHCFCUJI-OLZOCXBDSA-N 2 2 280.372 0.499 20 0 CCADLP CC[C@H](C(=O)NC1C[NH+](CCC[C@H]2CCOC2)C1)[NH+](C)C ZINC001377933186 905255871 /nfs/dbraw/zinc/25/58/71/905255871.db2.gz RBUAVWBMBPJHLE-DZGCQCFKSA-N 2 2 297.443 0.944 20 0 CCADLP CCC[N@H+](C)CC(=O)NC1C[NH+](CCOC(C)C)C1 ZINC001377937071 905259726 /nfs/dbraw/zinc/25/97/26/905259726.db2.gz CDWQIVACGFPADI-UHFFFAOYSA-N 2 2 271.405 0.554 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC1C[NH+](CCOC(C)C)C1 ZINC001377937071 905259744 /nfs/dbraw/zinc/25/97/44/905259744.db2.gz CDWQIVACGFPADI-UHFFFAOYSA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@@H](C(=O)NCC1C[NH+](Cc2ccnn2C)C1)[NH+](C)C ZINC001377995929 905312684 /nfs/dbraw/zinc/31/26/84/905312684.db2.gz KOZXAAKSINQIMI-AWEZNQCLSA-N 2 2 293.415 0.308 20 0 CCADLP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)[C@@H](C)c1ncccn1 ZINC001378124913 905436724 /nfs/dbraw/zinc/43/67/24/905436724.db2.gz UTKKWOKVRWHUCF-OLZOCXBDSA-N 2 2 293.415 0.926 20 0 CCADLP C[C@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)[C@@H](C)c1ncccn1 ZINC001378124913 905436735 /nfs/dbraw/zinc/43/67/35/905436735.db2.gz UTKKWOKVRWHUCF-OLZOCXBDSA-N 2 2 293.415 0.926 20 0 CCADLP CO[C@H](C)C[NH+]1CC([C@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001378534340 905667395 /nfs/dbraw/zinc/66/73/95/905667395.db2.gz PDYKFGWCZAIWBU-OLZOCXBDSA-N 2 2 294.399 0.745 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)C[NH2+]Cc1ccon1 ZINC001378623943 905715667 /nfs/dbraw/zinc/71/56/67/905715667.db2.gz NRLATSXZGGNJBF-JTQLQIEISA-N 2 2 291.355 0.791 20 0 CCADLP CN(CC[N@H+](C)Cc1cncn1C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001379135299 906013427 /nfs/dbraw/zinc/01/34/27/906013427.db2.gz YKHMBMHZYZMMKD-CYBMUJFWSA-N 2 2 293.415 0.262 20 0 CCADLP CN(CC[N@@H+](C)Cc1cncn1C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001379135299 906013447 /nfs/dbraw/zinc/01/34/47/906013447.db2.gz YKHMBMHZYZMMKD-CYBMUJFWSA-N 2 2 293.415 0.262 20 0 CCADLP CN(CC[NH+](C)Cc1cncn1C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001379135299 906013464 /nfs/dbraw/zinc/01/34/64/906013464.db2.gz YKHMBMHZYZMMKD-CYBMUJFWSA-N 2 2 293.415 0.262 20 0 CCADLP CN(CC[NH+](C)Cc1cncn1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379135299 906013480 /nfs/dbraw/zinc/01/34/80/906013480.db2.gz YKHMBMHZYZMMKD-CYBMUJFWSA-N 2 2 293.415 0.262 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cnon1 ZINC001379283777 906113639 /nfs/dbraw/zinc/11/36/39/906113639.db2.gz KNKPGOCXOVHLGS-LLVKDONJSA-N 2 2 283.376 0.348 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cnon1 ZINC001379283777 906113646 /nfs/dbraw/zinc/11/36/46/906113646.db2.gz KNKPGOCXOVHLGS-LLVKDONJSA-N 2 2 283.376 0.348 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)[NH2+]CC1CC(C)C1 ZINC001379517733 906318109 /nfs/dbraw/zinc/31/81/09/906318109.db2.gz XPKXLVNELBYGJF-GDKBPFBDSA-N 2 2 294.399 0.373 20 0 CCADLP Cc1nocc1C[NH2+]C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001379537310 906332762 /nfs/dbraw/zinc/33/27/62/906332762.db2.gz QKXQVXANQAHSOF-NSHDSACASA-N 2 2 291.355 0.864 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H](C[NH2+]C[C@@H]1CCOC1)C1CC1 ZINC001379906331 906529890 /nfs/dbraw/zinc/52/98/90/906529890.db2.gz QXDHAOOPZYUCLA-FZMZJTMJSA-N 2 2 292.383 0.473 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CC[N@@H+]1C[C@H]1CCOC1 ZINC001379974209 906568327 /nfs/dbraw/zinc/56/83/27/906568327.db2.gz MQEWTLNAFOCEPM-OCCSQVGLSA-N 2 2 292.383 0.569 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CC[N@H+]1C[C@H]1CCOC1 ZINC001379974209 906568334 /nfs/dbraw/zinc/56/83/34/906568334.db2.gz MQEWTLNAFOCEPM-OCCSQVGLSA-N 2 2 292.383 0.569 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CC[N@@H+]1C[C@H]1CCOC1 ZINC001379974209 906568343 /nfs/dbraw/zinc/56/83/43/906568343.db2.gz MQEWTLNAFOCEPM-OCCSQVGLSA-N 2 2 292.383 0.569 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CC[N@H+]1C[C@H]1CCOC1 ZINC001379974209 906568352 /nfs/dbraw/zinc/56/83/52/906568352.db2.gz MQEWTLNAFOCEPM-OCCSQVGLSA-N 2 2 292.383 0.569 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)N(C)C1C[NH+](CCCO)C1 ZINC001380244734 906691977 /nfs/dbraw/zinc/69/19/77/906691977.db2.gz RTQKQDNAMXJBRI-UHFFFAOYSA-N 2 2 294.399 0.497 20 0 CCADLP COCC[NH+]1CCC(C)(NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001380310731 906728348 /nfs/dbraw/zinc/72/83/48/906728348.db2.gz DJUSJSGRLWGLPM-UHFFFAOYSA-N 2 2 294.399 0.878 20 0 CCADLP C[C@@H]([NH2+]CCO)[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001380663488 906887797 /nfs/dbraw/zinc/88/77/97/906887797.db2.gz DGHHAFUMDRSSDR-OLZOCXBDSA-N 2 2 294.399 0.172 20 0 CCADLP CC[N@@H+]1CCC[C@@](CO)(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001380735305 906918346 /nfs/dbraw/zinc/91/83/46/906918346.db2.gz DBSJQVDSDCOQPY-OAHLLOKOSA-N 2 2 294.399 0.316 20 0 CCADLP CC[N@H+]1CCC[C@@](CO)(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001380735305 906918361 /nfs/dbraw/zinc/91/83/61/906918361.db2.gz DBSJQVDSDCOQPY-OAHLLOKOSA-N 2 2 294.399 0.316 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](CNc2cc(N)[nH+]cn2)C1 ZINC001337703184 921286714 /nfs/dbraw/zinc/28/67/14/921286714.db2.gz OGJXJGPDOOKBGS-NSHDSACASA-N 2 2 265.361 0.828 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](CNc2cc(N)[nH+]cn2)C1 ZINC001337703184 921286717 /nfs/dbraw/zinc/28/67/17/921286717.db2.gz OGJXJGPDOOKBGS-NSHDSACASA-N 2 2 265.361 0.828 20 0 CCADLP CC1(C)C[N@H+](CCNc2nccnc2C[NH3+])CCO1 ZINC001337756951 921290505 /nfs/dbraw/zinc/29/05/05/921290505.db2.gz LOIGVWAZRCXMNY-UHFFFAOYSA-N 2 2 265.361 0.458 20 0 CCADLP CC1(C)C[N@@H+](CCNc2nccnc2C[NH3+])CCO1 ZINC001337756951 921290509 /nfs/dbraw/zinc/29/05/09/921290509.db2.gz LOIGVWAZRCXMNY-UHFFFAOYSA-N 2 2 265.361 0.458 20 0 CCADLP CC[N@H+](CCC(=O)NC)Cc1nc(C(C)(C)[NH3+])no1 ZINC001337824237 921296055 /nfs/dbraw/zinc/29/60/55/921296055.db2.gz LORXPXVPMNOVNW-UHFFFAOYSA-N 2 2 269.349 0.221 20 0 CCADLP CC[N@@H+](CCC(=O)NC)Cc1nc(C(C)(C)[NH3+])no1 ZINC001337824237 921296058 /nfs/dbraw/zinc/29/60/58/921296058.db2.gz LORXPXVPMNOVNW-UHFFFAOYSA-N 2 2 269.349 0.221 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC001381445838 907207391 /nfs/dbraw/zinc/20/73/91/907207391.db2.gz UOAODKOTSCYJPL-QWRGUYRKSA-N 2 2 296.419 0.438 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC001381445838 907207406 /nfs/dbraw/zinc/20/74/06/907207406.db2.gz UOAODKOTSCYJPL-QWRGUYRKSA-N 2 2 296.419 0.438 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@H](C)c1nnc(C)o1 ZINC001491649334 907483237 /nfs/dbraw/zinc/48/32/37/907483237.db2.gz LLZUJDUTUGUQIZ-GHMZBOCLSA-N 2 2 297.403 0.875 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@H](C)c1nnc(C)o1 ZINC001491649334 907483247 /nfs/dbraw/zinc/48/32/47/907483247.db2.gz LLZUJDUTUGUQIZ-GHMZBOCLSA-N 2 2 297.403 0.875 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1ncc(C)o1 ZINC001491650619 907485877 /nfs/dbraw/zinc/48/58/77/907485877.db2.gz RMPLTWFUFRARCI-LLVKDONJSA-N 2 2 282.388 0.919 20 0 CCADLP CCC[N@H+](C)C[C@H](O)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001382458069 907749943 /nfs/dbraw/zinc/74/99/43/907749943.db2.gz HZMSITYWUHIBHT-ZDUSSCGKSA-N 2 2 282.388 0.503 20 0 CCADLP CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001382458069 907749947 /nfs/dbraw/zinc/74/99/47/907749947.db2.gz HZMSITYWUHIBHT-ZDUSSCGKSA-N 2 2 282.388 0.503 20 0 CCADLP CCC[N@H+](C)C[C@H](O)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001382458069 907749976 /nfs/dbraw/zinc/74/99/76/907749976.db2.gz HZMSITYWUHIBHT-ZDUSSCGKSA-N 2 2 282.388 0.503 20 0 CCADLP CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001382458069 907749982 /nfs/dbraw/zinc/74/99/82/907749982.db2.gz HZMSITYWUHIBHT-ZDUSSCGKSA-N 2 2 282.388 0.503 20 0 CCADLP C[C@@H]1NC(=O)N(CC[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1=O ZINC001307517325 908319077 /nfs/dbraw/zinc/31/90/77/908319077.db2.gz YBWOZLAEBCAQDZ-SDDRHHMPSA-N 2 2 282.388 0.341 20 0 CCADLP C[C@@H]1NC(=O)N(CC[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1=O ZINC001307517325 908319090 /nfs/dbraw/zinc/31/90/90/908319090.db2.gz YBWOZLAEBCAQDZ-SDDRHHMPSA-N 2 2 282.388 0.341 20 0 CCADLP C[C@@H]1NC(=O)N(CC[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1=O ZINC001307517325 908319105 /nfs/dbraw/zinc/31/91/05/908319105.db2.gz YBWOZLAEBCAQDZ-SDDRHHMPSA-N 2 2 282.388 0.341 20 0 CCADLP C[C@@H]1NC(=O)N(CC[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1=O ZINC001307517325 908319120 /nfs/dbraw/zinc/31/91/20/908319120.db2.gz YBWOZLAEBCAQDZ-SDDRHHMPSA-N 2 2 282.388 0.341 20 0 CCADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCC[C@]23NC(=O)NC3=O)n1C ZINC001308749800 908430469 /nfs/dbraw/zinc/43/04/69/908430469.db2.gz FGRFFGKAISJJCW-HZMBPMFUSA-N 2 2 291.355 0.196 20 0 CCADLP [NH3+][C@@H](CC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)C(F)F ZINC001340149192 908511482 /nfs/dbraw/zinc/51/14/82/908511482.db2.gz QRLFLDWILKAQIW-JOYOIKCWSA-N 2 2 261.316 0.571 20 0 CCADLP C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H](C[NH2+]CCO)C1 ZINC001316703313 908689433 /nfs/dbraw/zinc/68/94/33/908689433.db2.gz YFBURDVOFDNERY-KGLIPLIRSA-N 2 2 294.399 0.482 20 0 CCADLP CC(C)COCC[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001317095370 908737441 /nfs/dbraw/zinc/73/74/41/908737441.db2.gz JSLZVKLXNHKLJT-HDJSIYSDSA-N 2 2 294.399 0.793 20 0 CCADLP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC001338505965 921492182 /nfs/dbraw/zinc/49/21/82/921492182.db2.gz UAQGBSCBWKTUGS-ZBFHGGJFSA-N 3 2 298.475 0.057 20 0 CCADLP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC001338505965 921492190 /nfs/dbraw/zinc/49/21/90/921492190.db2.gz UAQGBSCBWKTUGS-ZBFHGGJFSA-N 3 2 298.475 0.057 20 0 CCADLP CC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CCF)C1)[NH+](C)C ZINC001318443315 909759361 /nfs/dbraw/zinc/75/93/61/909759361.db2.gz VTTUBDCIAQVNFM-RYUDHWBXSA-N 2 2 259.369 0.829 20 0 CCADLP CC[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](CCF)C1)[NH+](C)C ZINC001318443315 909759368 /nfs/dbraw/zinc/75/93/68/909759368.db2.gz VTTUBDCIAQVNFM-RYUDHWBXSA-N 2 2 259.369 0.829 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H](CNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001389683022 910026444 /nfs/dbraw/zinc/02/64/44/910026444.db2.gz AKHFZODFQLJJJQ-SMDDNHRTSA-N 2 2 294.399 0.482 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001389677417 910028017 /nfs/dbraw/zinc/02/80/17/910028017.db2.gz RCUCBPAKMLRRHD-GWCFXTLKSA-N 2 2 280.372 0.472 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001389796679 910083770 /nfs/dbraw/zinc/08/37/70/910083770.db2.gz YUYUZAPQCHVGHZ-OLZOCXBDSA-N 2 2 280.372 0.499 20 0 CCADLP C[C@H](C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)n1cc[nH+]c1 ZINC001319585297 910212512 /nfs/dbraw/zinc/21/25/12/910212512.db2.gz HRXPEXXXQAUZHU-ZIAGYGMSSA-N 2 2 294.399 0.797 20 0 CCADLP C[C@H](C(=O)NCCCC[N@H+]1CCC[C@@H]1CO)n1cc[nH+]c1 ZINC001319585297 910212527 /nfs/dbraw/zinc/21/25/27/910212527.db2.gz HRXPEXXXQAUZHU-ZIAGYGMSSA-N 2 2 294.399 0.797 20 0 CCADLP Cc1[nH+]ccn1CCN1CC[NH+](CCCCO)CC1 ZINC001319636628 910240911 /nfs/dbraw/zinc/24/09/11/910240911.db2.gz DVDWNZDEQFFNGQ-UHFFFAOYSA-N 2 2 266.389 0.582 20 0 CCADLP COCC[NH2+][C@H](CNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001319956844 910375878 /nfs/dbraw/zinc/37/58/78/910375878.db2.gz SWFUEPZPZLPHLP-LLVKDONJSA-N 2 2 268.361 0.329 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@H]1C[NH2+]CCCO ZINC001320166988 910486852 /nfs/dbraw/zinc/48/68/52/910486852.db2.gz SMUYGTBSCRZXSF-WCQYABFASA-N 2 2 280.372 0.209 20 0 CCADLP Cc1ncc(C[NH2+][C@H](C)CCNC(=O)Cn2cc[nH+]c2)o1 ZINC001390735978 910626899 /nfs/dbraw/zinc/62/68/99/910626899.db2.gz MGKKCULWCKXHQQ-LLVKDONJSA-N 2 2 291.355 0.864 20 0 CCADLP COC(C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1)OC ZINC001320538858 910727534 /nfs/dbraw/zinc/72/75/34/910727534.db2.gz SPFNRTRPXHTUJQ-CYBMUJFWSA-N 2 2 271.405 0.317 20 0 CCADLP COC(C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)OC ZINC001320538858 910727553 /nfs/dbraw/zinc/72/75/53/910727553.db2.gz SPFNRTRPXHTUJQ-CYBMUJFWSA-N 2 2 271.405 0.317 20 0 CCADLP CCN(CC[NH2+]Cc1nnc(C)o1)C(=O)C[N@H+](C)C(C)C ZINC001320928418 910938122 /nfs/dbraw/zinc/93/81/22/910938122.db2.gz KCBCNVJXJILJBH-UHFFFAOYSA-N 2 2 297.403 0.656 20 0 CCADLP CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001321124088 911104033 /nfs/dbraw/zinc/10/40/33/911104033.db2.gz DFLMSMTVESNSOP-AAOUONPWSA-N 2 2 262.357 0.727 20 0 CCADLP CCN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001391638336 911284558 /nfs/dbraw/zinc/28/45/58/911284558.db2.gz CUYOQKJBNSJNPN-TZMCWYRMSA-N 2 2 294.399 0.646 20 0 CCADLP CCN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001391638336 911284577 /nfs/dbraw/zinc/28/45/77/911284577.db2.gz CUYOQKJBNSJNPN-TZMCWYRMSA-N 2 2 294.399 0.646 20 0 CCADLP CCN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001391638336 911284594 /nfs/dbraw/zinc/28/45/94/911284594.db2.gz CUYOQKJBNSJNPN-TZMCWYRMSA-N 2 2 294.399 0.646 20 0 CCADLP CCN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001391638336 911284598 /nfs/dbraw/zinc/28/45/98/911284598.db2.gz CUYOQKJBNSJNPN-TZMCWYRMSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001391858113 911427550 /nfs/dbraw/zinc/42/75/50/911427550.db2.gz OMWXXTWKRDPOSY-CHWSQXEVSA-N 2 2 280.372 0.235 20 0 CCADLP Cc1noc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001392054075 911551391 /nfs/dbraw/zinc/55/13/91/911551391.db2.gz WJZOLHSLIPOXJB-PWSUYJOCSA-N 2 2 295.387 0.409 20 0 CCADLP Cc1noc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001392054075 911551410 /nfs/dbraw/zinc/55/14/10/911551410.db2.gz WJZOLHSLIPOXJB-PWSUYJOCSA-N 2 2 295.387 0.409 20 0 CCADLP CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001321895250 911556268 /nfs/dbraw/zinc/55/62/68/911556268.db2.gz DVNUVWBTZFHFHQ-RYUDHWBXSA-N 2 2 264.373 0.950 20 0 CCADLP O=C(NC[C@H](O)C[NH2+]CC1CC1)c1cccc2[nH+]ccn21 ZINC001392387500 911777601 /nfs/dbraw/zinc/77/76/01/911777601.db2.gz KMKFFOXOQZWXKQ-GFCCVEGCSA-N 2 2 288.351 0.425 20 0 CCADLP COCC[NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001323076416 912101929 /nfs/dbraw/zinc/10/19/29/912101929.db2.gz ITWDKFZZUOTPMC-GFCCVEGCSA-N 2 2 266.345 0.083 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001417953715 921732182 /nfs/dbraw/zinc/73/21/82/921732182.db2.gz MMHVHRBWEFFIEL-AWEZNQCLSA-N 2 2 293.415 0.451 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001417953715 921732189 /nfs/dbraw/zinc/73/21/89/921732189.db2.gz MMHVHRBWEFFIEL-AWEZNQCLSA-N 2 2 293.415 0.451 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001417953715 921732196 /nfs/dbraw/zinc/73/21/96/921732196.db2.gz MMHVHRBWEFFIEL-AWEZNQCLSA-N 2 2 293.415 0.451 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001417953715 921732201 /nfs/dbraw/zinc/73/22/01/921732201.db2.gz MMHVHRBWEFFIEL-AWEZNQCLSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1nncs1 ZINC001399048051 915021936 /nfs/dbraw/zinc/02/19/36/915021936.db2.gz SECKOHWLZWRMIF-JTQLQIEISA-N 2 2 297.428 0.474 20 0 CCADLP CCOCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC001328276724 915071496 /nfs/dbraw/zinc/07/14/96/915071496.db2.gz BRLUHNHNZQJOIE-QWHCGFSZSA-N 2 2 294.399 0.958 20 0 CCADLP CCOCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC001328276724 915071517 /nfs/dbraw/zinc/07/15/17/915071517.db2.gz BRLUHNHNZQJOIE-QWHCGFSZSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001399237265 915085668 /nfs/dbraw/zinc/08/56/68/915085668.db2.gz UYYDGNAOQSOLBC-NWDGAFQWSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001399237265 915085687 /nfs/dbraw/zinc/08/56/87/915085687.db2.gz UYYDGNAOQSOLBC-NWDGAFQWSA-N 2 2 280.372 0.161 20 0 CCADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cn1cncn1 ZINC001328323083 915108259 /nfs/dbraw/zinc/10/82/59/915108259.db2.gz RYDADSUVVKNZBN-UHFFFAOYSA-N 2 2 283.295 0.806 20 0 CCADLP COc1cc(CN2CC[N@H+](C)C[C@H]2C[NH3+])ccc1F ZINC001328412654 915179554 /nfs/dbraw/zinc/17/95/54/915179554.db2.gz KRNPIDUKKLCMHT-GFCCVEGCSA-N 2 2 267.348 0.909 20 0 CCADLP COc1cc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])ccc1F ZINC001328412654 915179560 /nfs/dbraw/zinc/17/95/60/915179560.db2.gz KRNPIDUKKLCMHT-GFCCVEGCSA-N 2 2 267.348 0.909 20 0 CCADLP C[NH+](CCC(=O)NCC[N@@H+](C)CC(N)=O)C1CCCCC1 ZINC001399529538 915217783 /nfs/dbraw/zinc/21/77/83/915217783.db2.gz BMRGKOPRRJAHJI-UHFFFAOYSA-N 2 2 298.431 0.174 20 0 CCADLP C[NH+](CCC(=O)NCC[N@H+](C)CC(N)=O)C1CCCCC1 ZINC001399529538 915217797 /nfs/dbraw/zinc/21/77/97/915217797.db2.gz BMRGKOPRRJAHJI-UHFFFAOYSA-N 2 2 298.431 0.174 20 0 CCADLP C[NH+](CCNC(=O)CC[N@H+](C)C1CCCCC1)CC(N)=O ZINC001399529538 915217806 /nfs/dbraw/zinc/21/78/06/915217806.db2.gz BMRGKOPRRJAHJI-UHFFFAOYSA-N 2 2 298.431 0.174 20 0 CCADLP C[NH+](CCNC(=O)CC[N@@H+](C)C1CCCCC1)CC(N)=O ZINC001399529538 915217820 /nfs/dbraw/zinc/21/78/20/915217820.db2.gz BMRGKOPRRJAHJI-UHFFFAOYSA-N 2 2 298.431 0.174 20 0 CCADLP [NH3+]C[C@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001328645799 915330676 /nfs/dbraw/zinc/33/06/76/915330676.db2.gz AEUBZDYYHAKPTM-NEPJUHHUSA-N 2 2 262.357 0.643 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001400087682 915555188 /nfs/dbraw/zinc/55/51/88/915555188.db2.gz VEEASJVVAZMQGB-NEPJUHHUSA-N 2 2 294.399 0.550 20 0 CCADLP COC[C@@H](C)[NH+]1CC(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001400529774 915792775 /nfs/dbraw/zinc/79/27/75/915792775.db2.gz QPHYTFXWTHDYKC-VXGBXAGGSA-N 2 2 294.399 0.671 20 0 CCADLP CC[C@@H](C[N@H+](C)CCNC(=O)Cn1cc[nH+]c1)OC ZINC001492894777 915822611 /nfs/dbraw/zinc/82/26/11/915822611.db2.gz OPQZFYACNMLPLY-LBPRGKRZSA-N 2 2 268.361 0.356 20 0 CCADLP CC[C@@H](C[N@@H+](C)CCNC(=O)Cn1cc[nH+]c1)OC ZINC001492894777 915822627 /nfs/dbraw/zinc/82/26/27/915822627.db2.gz OPQZFYACNMLPLY-LBPRGKRZSA-N 2 2 268.361 0.356 20 0 CCADLP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CCF ZINC001400867052 915971217 /nfs/dbraw/zinc/97/12/17/915971217.db2.gz UZAFBOIXLOLSPT-QJPTWQEYSA-N 2 2 282.363 0.978 20 0 CCADLP C[C@@H](C(=O)N[C@H](CC[NH3+])C(F)(F)F)n1cc[nH+]c1 ZINC001329572001 916022779 /nfs/dbraw/zinc/02/27/79/916022779.db2.gz ZIGUDYPXCJFOJJ-JGVFFNPUSA-N 2 2 264.251 0.840 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001329924023 916279854 /nfs/dbraw/zinc/27/98/54/916279854.db2.gz NZEBRWJQDBVQAK-SRVKXCTJSA-N 2 2 262.357 0.641 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[NH2+]C[C@@H]1CCOC1 ZINC001401661682 916439604 /nfs/dbraw/zinc/43/96/04/916439604.db2.gz VVRHYGDSQITVKO-PWSUYJOCSA-N 2 2 280.372 0.391 20 0 CCADLP CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001401751368 916567034 /nfs/dbraw/zinc/56/70/34/916567034.db2.gz ARSAEBCTOMZXRJ-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001401751368 916567048 /nfs/dbraw/zinc/56/70/48/916567048.db2.gz ARSAEBCTOMZXRJ-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001401751368 916567062 /nfs/dbraw/zinc/56/70/62/916567062.db2.gz ARSAEBCTOMZXRJ-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001401751368 916567074 /nfs/dbraw/zinc/56/70/74/916567074.db2.gz ARSAEBCTOMZXRJ-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001401855233 916633965 /nfs/dbraw/zinc/63/39/65/916633965.db2.gz LBOLDTBOQHDCDJ-TZMCWYRMSA-N 2 2 276.384 0.950 20 0 CCADLP Cn1cc[nH+]c1Cn1cc([C@H]([NH3+])[C@@H]2CCCO2)nn1 ZINC001330775263 916851441 /nfs/dbraw/zinc/85/14/41/916851441.db2.gz QJCGDDHAKWTZOV-JQWIXIFHSA-N 2 2 262.317 0.239 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001402550754 917088078 /nfs/dbraw/zinc/08/80/78/917088078.db2.gz QDBHOYBWWDUXRG-JHJVBQTASA-N 2 2 280.372 0.281 20 0 CCADLP C[C@@H](O)C[NH2+][C@H](C)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001331470540 917353828 /nfs/dbraw/zinc/35/38/28/917353828.db2.gz PRKHKYKFFMWJBC-GHMZBOCLSA-N 2 2 268.361 0.160 20 0 CCADLP C[C@@H](O)C[NH2+][C@H](C)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001331470540 917353841 /nfs/dbraw/zinc/35/38/41/917353841.db2.gz PRKHKYKFFMWJBC-GHMZBOCLSA-N 2 2 268.361 0.160 20 0 CCADLP Cc1cnc(C[NH2+][C@@H](C)CNC(=O)Cn2c[nH+]cc2C)o1 ZINC001402948732 917372003 /nfs/dbraw/zinc/37/20/03/917372003.db2.gz KCPNCFZEECOZBA-JTQLQIEISA-N 2 2 291.355 0.782 20 0 CCADLP COC[C@H](C)[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001331563729 917420499 /nfs/dbraw/zinc/42/04/99/917420499.db2.gz HFVBPUQHBYTMQU-MNOVXSKESA-N 2 2 268.361 0.424 20 0 CCADLP COC[C@H](C)[NH+]1CC([C@@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001403357755 917674060 /nfs/dbraw/zinc/67/40/60/917674060.db2.gz VCMIBPBIONATCI-NWDGAFQWSA-N 2 2 280.372 0.355 20 0 CCADLP C[C@H]([NH2+]CCF)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001403409999 917704818 /nfs/dbraw/zinc/70/48/18/917704818.db2.gz KEDRWSBCXBDSNW-WDEREUQCSA-N 2 2 284.335 0.127 20 0 CCADLP C[NH+](C)CC1(C(=O)NCC[N@H+](C)CC(N)=O)CCCCC1 ZINC001403648640 917880851 /nfs/dbraw/zinc/88/08/51/917880851.db2.gz YUBSVCDBYRBBCU-UHFFFAOYSA-N 2 2 298.431 0.032 20 0 CCADLP C[NH+](C)CC1(C(=O)NCC[N@@H+](C)CC(N)=O)CCCCC1 ZINC001403648640 917880866 /nfs/dbraw/zinc/88/08/66/917880866.db2.gz YUBSVCDBYRBBCU-UHFFFAOYSA-N 2 2 298.431 0.032 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[N@H+](C)CC1CCOCC1 ZINC001403741967 917979112 /nfs/dbraw/zinc/97/91/12/917979112.db2.gz XPJRPPUDDCQHDR-UHFFFAOYSA-N 2 2 294.399 0.437 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[N@@H+](C)CC1CCOCC1 ZINC001403741967 917979120 /nfs/dbraw/zinc/97/91/20/917979120.db2.gz XPJRPPUDDCQHDR-UHFFFAOYSA-N 2 2 294.399 0.437 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H](CO)[NH2+]Cc1ccsc1 ZINC001403756743 917993536 /nfs/dbraw/zinc/99/35/36/917993536.db2.gz WENJSNPMSOLJRS-GFCCVEGCSA-N 2 2 294.380 0.212 20 0 CCADLP C[C@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CCC[N@@H+]1CCCO ZINC001403832619 918043887 /nfs/dbraw/zinc/04/38/87/918043887.db2.gz USPLMZNNIPWSJC-JSGCOSHPSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CCC[N@H+]1CCCO ZINC001403832619 918043900 /nfs/dbraw/zinc/04/39/00/918043900.db2.gz USPLMZNNIPWSJC-JSGCOSHPSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CCC[N@@H+]1CCCO ZINC001403832619 918043913 /nfs/dbraw/zinc/04/39/13/918043913.db2.gz USPLMZNNIPWSJC-JSGCOSHPSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CCC[N@H+]1CCCO ZINC001403832619 918043926 /nfs/dbraw/zinc/04/39/26/918043926.db2.gz USPLMZNNIPWSJC-JSGCOSHPSA-N 2 2 294.399 0.694 20 0 CCADLP CC(C)[NH2+]C[C@H](O)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001403849078 918059328 /nfs/dbraw/zinc/05/93/28/918059328.db2.gz LVSHLVYWXQVOJQ-LBPRGKRZSA-N 2 2 282.388 0.170 20 0 CCADLP CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001403906162 918105322 /nfs/dbraw/zinc/10/53/22/918105322.db2.gz LTGHMYGTTBDBMS-CYBMUJFWSA-N 2 2 282.388 0.124 20 0 CCADLP CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001403906162 918105331 /nfs/dbraw/zinc/10/53/31/918105331.db2.gz LTGHMYGTTBDBMS-CYBMUJFWSA-N 2 2 282.388 0.124 20 0 CCADLP CC[N@H+](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)CC(N)=O ZINC001403920337 918118670 /nfs/dbraw/zinc/11/86/70/918118670.db2.gz MGYKZIUJNIBIKS-CYBMUJFWSA-N 2 2 298.431 0.174 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)CC(N)=O ZINC001403920337 918118682 /nfs/dbraw/zinc/11/86/82/918118682.db2.gz MGYKZIUJNIBIKS-CYBMUJFWSA-N 2 2 298.431 0.174 20 0 CCADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1cnn(C)c1 ZINC001403946932 918142971 /nfs/dbraw/zinc/14/29/71/918142971.db2.gz QVBUYGVCOXUGLS-UHFFFAOYSA-N 2 2 290.371 0.255 20 0 CCADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1cnn(C)c1 ZINC001403946932 918142983 /nfs/dbraw/zinc/14/29/83/918142983.db2.gz QVBUYGVCOXUGLS-UHFFFAOYSA-N 2 2 290.371 0.255 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NC[C@@H]1CC[N@@H+](CCCO)C1 ZINC001404098195 918199987 /nfs/dbraw/zinc/19/99/87/918199987.db2.gz FMPYEWFFIPSOIN-AWEZNQCLSA-N 2 2 294.399 0.484 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NC[C@@H]1CC[N@H+](CCCO)C1 ZINC001404098195 918200000 /nfs/dbraw/zinc/20/00/00/918200000.db2.gz FMPYEWFFIPSOIN-AWEZNQCLSA-N 2 2 294.399 0.484 20 0 CCADLP C[N@H+](CCC(=O)NC1C[NH+](CCCO)C1)C1CCCCC1 ZINC001404792710 918468046 /nfs/dbraw/zinc/46/80/46/918468046.db2.gz OKGUUCDDEAOSCL-UHFFFAOYSA-N 2 2 297.443 0.824 20 0 CCADLP C[N@@H+](CCC(=O)NC1C[NH+](CCCO)C1)C1CCCCC1 ZINC001404792710 918468053 /nfs/dbraw/zinc/46/80/53/918468053.db2.gz OKGUUCDDEAOSCL-UHFFFAOYSA-N 2 2 297.443 0.824 20 0 CCADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CCn1cccn1 ZINC001405375413 918747260 /nfs/dbraw/zinc/74/72/60/918747260.db2.gz VVSHTFXUKBGJDF-CYBMUJFWSA-N 2 2 290.371 0.264 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@](C)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001405511564 918787885 /nfs/dbraw/zinc/78/78/85/918787885.db2.gz QREWZRTZEODJBJ-YGRLFVJLSA-N 2 2 280.372 0.208 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCCCN2CC[NH+](C)CC2)c2ncnn21 ZINC001333555801 918993974 /nfs/dbraw/zinc/99/39/74/918993974.db2.gz RFJUGZUYQDGMEZ-UONOGXRCSA-N 2 2 292.431 0.901 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCCCN2CC[NH+](C)CC2)c2ncnn21 ZINC001333555800 918994878 /nfs/dbraw/zinc/99/48/78/918994878.db2.gz RFJUGZUYQDGMEZ-KGLIPLIRSA-N 2 2 292.431 0.901 20 0 CCADLP COCC[C@H]([NH3+])C(=O)N(C)CCCn1cc[nH+]c1 ZINC001333644056 919069214 /nfs/dbraw/zinc/06/92/14/919069214.db2.gz VLQNUHBACMIKSD-NSHDSACASA-N 2 2 254.334 0.095 20 0 CCADLP CC(=O)OC[C@H](C)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001333709108 919114499 /nfs/dbraw/zinc/11/44/99/919114499.db2.gz AMDPCWPDSNVMIP-CYZMBNFOSA-N 2 2 256.346 0.391 20 0 CCADLP CC(=O)OC[C@H](C)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001333709108 919114508 /nfs/dbraw/zinc/11/45/08/919114508.db2.gz AMDPCWPDSNVMIP-CYZMBNFOSA-N 2 2 256.346 0.391 20 0 CCADLP Cc1oncc1C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001406412007 919248577 /nfs/dbraw/zinc/24/85/77/919248577.db2.gz QQWORLZEYDDQCX-SNVBAGLBSA-N 2 2 291.355 0.554 20 0 CCADLP [NH3+][C@H](C[NH2+]CC(=O)NCC(F)(F)F)CC(F)F ZINC001334053787 919344920 /nfs/dbraw/zinc/34/49/20/919344920.db2.gz BHUNQKBLABMJAG-YFKPBYRVSA-N 2 2 263.210 0.237 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+](CCCCCO)CC1)n1cc[nH+]c1 ZINC001334252920 919457985 /nfs/dbraw/zinc/45/79/85/919457985.db2.gz NYHNGNPEAYVBST-AWEZNQCLSA-N 2 2 294.399 0.751 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@]1(O)CC[N@H+](CC2CCC2)C1 ZINC001407343562 919709407 /nfs/dbraw/zinc/70/94/07/919709407.db2.gz AMLHRNIGQDJAFA-HNNXBMFYSA-N 2 2 292.383 0.305 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@]1(O)CC[N@@H+](CC2CCC2)C1 ZINC001407343562 919709423 /nfs/dbraw/zinc/70/94/23/919709423.db2.gz AMLHRNIGQDJAFA-HNNXBMFYSA-N 2 2 292.383 0.305 20 0 CCADLP CC(=O)NCC[NH+]1CCC([NH2+]C[C@@H]2CC[C@H](C)O2)CC1 ZINC001407568869 919809270 /nfs/dbraw/zinc/80/92/70/919809270.db2.gz IGQUVDPBYFPYBS-WFASDCNBSA-N 2 2 283.416 0.744 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001407731214 919865888 /nfs/dbraw/zinc/86/58/88/919865888.db2.gz IFPYNKOYNMHFDQ-AWEZNQCLSA-N 2 2 294.399 0.809 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001407731214 919865902 /nfs/dbraw/zinc/86/59/02/919865902.db2.gz IFPYNKOYNMHFDQ-AWEZNQCLSA-N 2 2 294.399 0.809 20 0 CCADLP CN1C[C@H](C[N@@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)OC1=O ZINC001335050127 919919348 /nfs/dbraw/zinc/91/93/48/919919348.db2.gz YFSSMNBZUHGEKP-BNOWGMLFSA-N 2 2 267.373 0.711 20 0 CCADLP CN1C[C@H](C[N@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)OC1=O ZINC001335050127 919919352 /nfs/dbraw/zinc/91/93/52/919919352.db2.gz YFSSMNBZUHGEKP-BNOWGMLFSA-N 2 2 267.373 0.711 20 0 CCADLP CN1C[C@H](C[NH+]2C[C@@]3(C)C[N@H+](C)C[C@@]3(C)C2)OC1=O ZINC001335050127 919919366 /nfs/dbraw/zinc/91/93/66/919919366.db2.gz YFSSMNBZUHGEKP-BNOWGMLFSA-N 2 2 267.373 0.711 20 0 CCADLP CN1C[C@H](C[NH+]2C[C@@]3(C)C[N@@H+](C)C[C@@]3(C)C2)OC1=O ZINC001335050127 919919378 /nfs/dbraw/zinc/91/93/78/919919378.db2.gz YFSSMNBZUHGEKP-BNOWGMLFSA-N 2 2 267.373 0.711 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC001335079114 919945894 /nfs/dbraw/zinc/94/58/94/919945894.db2.gz VCDDNRNVQKBKOH-CYBMUJFWSA-N 2 2 262.357 0.659 20 0 CCADLP CCS(=O)(=O)CC[NH2+]CCC[N@H+](C)CC(C)C ZINC001335461494 920212519 /nfs/dbraw/zinc/21/25/19/920212519.db2.gz VZJBKAZNRZUEEW-UHFFFAOYSA-N 2 2 264.435 0.989 20 0 CCADLP CCS(=O)(=O)CC[NH2+]CCC[N@@H+](C)CC(C)C ZINC001335461494 920212533 /nfs/dbraw/zinc/21/25/33/920212533.db2.gz VZJBKAZNRZUEEW-UHFFFAOYSA-N 2 2 264.435 0.989 20 0 CCADLP CCOC(=O)CC[C@H](O)C[NH2+][C@H]1Cc2c[nH+]cn2C1 ZINC001335468929 920217923 /nfs/dbraw/zinc/21/79/23/920217923.db2.gz XXBPPVDNYKISNM-JQWIXIFHSA-N 2 2 267.329 0.102 20 0 CCADLP C[C@@H](C[NH2+][C@H]1C[C@@H]([NH+]2CCCC2)C1)S(C)(=O)=O ZINC001335471215 920222154 /nfs/dbraw/zinc/22/21/54/920222154.db2.gz YVCWKUPKHNBOPJ-SDDRHHMPSA-N 2 2 260.403 0.636 20 0 CCADLP O[C@@H](CCC1(O)CCC1)C[NH2+][C@@H]1Cc2c[nH+]cn2C1 ZINC001335511956 920248635 /nfs/dbraw/zinc/24/86/35/920248635.db2.gz GPMSIGSWXNOOIC-YPMHNXCESA-N 2 2 265.357 0.454 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)N[C@@H]2C=CCCC2)CC1 ZINC001335539408 920260568 /nfs/dbraw/zinc/26/05/68/920260568.db2.gz GNLYQQDNBJUFRQ-CYBMUJFWSA-N 2 2 266.389 0.817 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)N2CC[C@H](F)C2)CC1 ZINC001335646723 920346804 /nfs/dbraw/zinc/34/68/04/920346804.db2.gz OMRPCFUDWAQEPO-JTQLQIEISA-N 2 2 258.341 0.163 20 0 CCADLP CC1=CCN(CC[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC001336727897 920956692 /nfs/dbraw/zinc/95/66/92/920956692.db2.gz JXJSBLIMMOPFRG-HNNXBMFYSA-N 2 2 267.417 0.685 20 0 CCADLP CC(C)(C[NH2+]C[C@H](O)C1(O)CCCC1)n1cc[nH+]c1 ZINC001336844178 921052649 /nfs/dbraw/zinc/05/26/49/921052649.db2.gz DENHBQQAMBJZBU-LBPRGKRZSA-N 2 2 267.373 0.874 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001418077080 921812070 /nfs/dbraw/zinc/81/20/70/921812070.db2.gz YZJJXFLIHXELAD-YUSALJHKSA-N 2 2 280.372 0.532 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ncccn1 ZINC001418242962 921956967 /nfs/dbraw/zinc/95/69/67/921956967.db2.gz IKNLRJULNRUAKP-QWHCGFSZSA-N 2 2 291.399 0.555 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1ncccn1 ZINC001418242962 921956977 /nfs/dbraw/zinc/95/69/77/921956977.db2.gz IKNLRJULNRUAKP-QWHCGFSZSA-N 2 2 291.399 0.555 20 0 CCADLP [NH3+][C@H](CC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)C(F)F ZINC001340149186 921981449 /nfs/dbraw/zinc/98/14/49/921981449.db2.gz QRLFLDWILKAQIW-BXKDBHETSA-N 2 2 261.316 0.571 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+]Cc1cnn(C)c1 ZINC001418302124 922006052 /nfs/dbraw/zinc/00/60/52/922006052.db2.gz KGOOBCFUAJHJTD-JTQLQIEISA-N 2 2 290.371 0.289 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C2=CCC[NH2+]CC2)CCO1 ZINC001340199176 922006407 /nfs/dbraw/zinc/00/64/07/922006407.db2.gz FDCWWGFFGHLBKR-GFCCVEGCSA-N 2 2 267.373 0.133 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2=CCC[NH2+]CC2)CCO1 ZINC001340199176 922006417 /nfs/dbraw/zinc/00/64/17/922006417.db2.gz FDCWWGFFGHLBKR-GFCCVEGCSA-N 2 2 267.373 0.133 20 0 CCADLP Cc1ncc(C[NH2+][C@@H](C)CNC(=O)Cc2c[nH+]cn2C)o1 ZINC001418302421 922008029 /nfs/dbraw/zinc/00/80/29/922008029.db2.gz ONMHZDRBJJNIMV-JTQLQIEISA-N 2 2 291.355 0.554 20 0 CCADLP O=C(CC[N@H+]1CC[C@@H](F)C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001418368447 922056376 /nfs/dbraw/zinc/05/63/76/922056376.db2.gz UDRCEDOHIBQUSB-KGLIPLIRSA-N 2 2 299.390 0.353 20 0 CCADLP O=C(CC[N@@H+]1CC[C@@H](F)C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001418368447 922056388 /nfs/dbraw/zinc/05/63/88/922056388.db2.gz UDRCEDOHIBQUSB-KGLIPLIRSA-N 2 2 299.390 0.353 20 0 CCADLP C[C@@H](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]CCF ZINC001418402848 922082078 /nfs/dbraw/zinc/08/20/78/922082078.db2.gz DMDCCGKFPDPRIR-NWDGAFQWSA-N 2 2 282.363 0.899 20 0 CCADLP CO[C@@H](C)C[N@H+](C)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001418473098 922160780 /nfs/dbraw/zinc/16/07/80/922160780.db2.gz VDBAIWXUZTWXRJ-QWHCGFSZSA-N 2 2 294.399 0.528 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001418473098 922160787 /nfs/dbraw/zinc/16/07/87/922160787.db2.gz VDBAIWXUZTWXRJ-QWHCGFSZSA-N 2 2 294.399 0.528 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCC[N@@H+](C)C[C@H](C)O)c[nH+]1 ZINC001418478668 922162553 /nfs/dbraw/zinc/16/25/53/922162553.db2.gz ZBCZETJFTTVIAG-LBPRGKRZSA-N 2 2 282.388 0.355 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCC[N@H+](C)C[C@H](C)O)c[nH+]1 ZINC001418478668 922162562 /nfs/dbraw/zinc/16/25/62/922162562.db2.gz ZBCZETJFTTVIAG-LBPRGKRZSA-N 2 2 282.388 0.355 20 0 CCADLP CC[N@H+](C)CCC(=O)NCC[NH+](C)Cc1conc1C ZINC001418510831 922204754 /nfs/dbraw/zinc/20/47/54/922204754.db2.gz UPWYSBVNUJJKJJ-UHFFFAOYSA-N 2 2 282.388 0.873 20 0 CCADLP CC[N@@H+](C)CCC(=O)NCC[NH+](C)Cc1conc1C ZINC001418510831 922204763 /nfs/dbraw/zinc/20/47/63/922204763.db2.gz UPWYSBVNUJJKJJ-UHFFFAOYSA-N 2 2 282.388 0.873 20 0 CCADLP CC[NH+](C)CCC(=O)NCC[N@H+](C)Cc1conc1C ZINC001418510831 922204767 /nfs/dbraw/zinc/20/47/67/922204767.db2.gz UPWYSBVNUJJKJJ-UHFFFAOYSA-N 2 2 282.388 0.873 20 0 CCADLP CC[NH+](C)CCC(=O)NCC[N@@H+](C)Cc1conc1C ZINC001418510831 922204775 /nfs/dbraw/zinc/20/47/75/922204775.db2.gz UPWYSBVNUJJKJJ-UHFFFAOYSA-N 2 2 282.388 0.873 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC001340942235 922287814 /nfs/dbraw/zinc/28/78/14/922287814.db2.gz BNWVEKPHKVEAEO-KOLCDFICSA-N 2 2 250.346 0.845 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC001340942235 922287825 /nfs/dbraw/zinc/28/78/25/922287825.db2.gz BNWVEKPHKVEAEO-KOLCDFICSA-N 2 2 250.346 0.845 20 0 CCADLP CN(C[C@H]1CC[N@@H+]1C[C@H]1CCOC1)C(=O)Cn1cc[nH+]c1 ZINC001418597542 922296606 /nfs/dbraw/zinc/29/66/06/922296606.db2.gz DHPXQFNORHTZAX-ZIAGYGMSSA-N 2 2 292.383 0.452 20 0 CCADLP CN(C[C@H]1CC[N@H+]1C[C@H]1CCOC1)C(=O)Cn1cc[nH+]c1 ZINC001418597542 922296614 /nfs/dbraw/zinc/29/66/14/922296614.db2.gz DHPXQFNORHTZAX-ZIAGYGMSSA-N 2 2 292.383 0.452 20 0 CCADLP CCc1cc(C(=O)NCC[NH+]2CCC([NH3+])CC2)no1 ZINC001341056970 922327919 /nfs/dbraw/zinc/32/79/19/922327919.db2.gz RFPGIIJCHPLLSO-UHFFFAOYSA-N 2 2 266.345 0.390 20 0 CCADLP CCO[C@@H](CNC(=O)C[C@H]([NH3+])C(F)F)C[NH+](C)C ZINC001341059793 922331888 /nfs/dbraw/zinc/33/18/88/922331888.db2.gz ZVGTTYROCZXPRD-IUCAKERBSA-N 2 2 267.320 0.052 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)[C@H]1[NH2+]CC12CCCC2 ZINC001341402172 922466802 /nfs/dbraw/zinc/46/68/02/922466802.db2.gz ITPWMHWARQQSFW-GFCCVEGCSA-N 2 2 262.357 0.922 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC001341468564 922501067 /nfs/dbraw/zinc/50/10/67/922501067.db2.gz YHQAJDWSQXVDJU-ONGXEEELSA-N 2 2 250.346 0.703 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC001341468564 922501085 /nfs/dbraw/zinc/50/10/85/922501085.db2.gz YHQAJDWSQXVDJU-ONGXEEELSA-N 2 2 250.346 0.703 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001341548357 922545264 /nfs/dbraw/zinc/54/52/64/922545264.db2.gz QSZFBHAIACDJEU-WXHSDQCUSA-N 2 2 262.357 0.941 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001341548357 922545271 /nfs/dbraw/zinc/54/52/71/922545271.db2.gz QSZFBHAIACDJEU-WXHSDQCUSA-N 2 2 262.357 0.941 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC001341748003 922654083 /nfs/dbraw/zinc/65/40/83/922654083.db2.gz LJMAXLZPDNLTJT-UHFFFAOYSA-N 2 2 257.297 0.632 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC001341763574 922661561 /nfs/dbraw/zinc/66/15/61/922661561.db2.gz FOASGACBSMVTRB-MFKMUULPSA-N 2 2 250.346 0.786 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC001341763574 922661571 /nfs/dbraw/zinc/66/15/71/922661571.db2.gz FOASGACBSMVTRB-MFKMUULPSA-N 2 2 250.346 0.786 20 0 CCADLP COCC1(CNC(=O)Cc2[nH]cc[nH+]2)CC[NH2+]CC1 ZINC001341767429 922665605 /nfs/dbraw/zinc/66/56/05/922665605.db2.gz NWVDTNAQNJXOBG-UHFFFAOYSA-N 2 2 266.345 0.085 20 0 CCADLP C[N@H+]1CC=C(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001341816828 922683520 /nfs/dbraw/zinc/68/35/20/922683520.db2.gz ZTHCTMHLBDXVAV-CYBMUJFWSA-N 2 2 274.368 0.824 20 0 CCADLP C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001341816828 922683525 /nfs/dbraw/zinc/68/35/25/922683525.db2.gz ZTHCTMHLBDXVAV-CYBMUJFWSA-N 2 2 274.368 0.824 20 0 CCADLP O=C(NC[C@@H]([NH2+]CCF)C1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001419273236 922745201 /nfs/dbraw/zinc/74/52/01/922745201.db2.gz KCUVXRYMEKOYRC-GXTWGEPZSA-N 2 2 294.374 0.899 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@](C)(C[NH2+]CC2CC2)C2CC2)C1 ZINC001419328369 922770212 /nfs/dbraw/zinc/77/02/12/922770212.db2.gz AFNRYOGONIZGNN-ZBFHGGJFSA-N 2 2 295.427 0.602 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@](C)(C[NH2+]CC2CC2)C2CC2)C1 ZINC001419328369 922770232 /nfs/dbraw/zinc/77/02/32/922770232.db2.gz AFNRYOGONIZGNN-ZBFHGGJFSA-N 2 2 295.427 0.602 20 0 CCADLP Cc1cncc(C[NH2+][C@H](C)CNC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001419892745 923152690 /nfs/dbraw/zinc/15/26/90/923152690.db2.gz ILBCGQBBJNXIGL-GFCCVEGCSA-N 2 2 287.367 0.950 20 0 CCADLP CC(C)[C@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CCO ZINC001419903836 923154965 /nfs/dbraw/zinc/15/49/65/923154965.db2.gz HTHBWLCZPQATHV-LBPRGKRZSA-N 2 2 290.367 0.671 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@H](C)c1cnccn1 ZINC001419954519 923189490 /nfs/dbraw/zinc/18/94/90/923189490.db2.gz HBSSFZAVUZNVJQ-VXGBXAGGSA-N 2 2 288.355 0.529 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C1([NH3+])CCC1 ZINC001343736795 923452878 /nfs/dbraw/zinc/45/28/78/923452878.db2.gz NKXLRTFKPGPVLF-NSHDSACASA-N 2 2 255.362 0.047 20 0 CCADLP CC[N@H+](CCNC(=O)C[C@H](C)n1cc[nH+]c1)C[C@H](C)O ZINC001420424324 923653696 /nfs/dbraw/zinc/65/36/96/923653696.db2.gz UOQOXYNZPMRCKY-STQMWFEESA-N 2 2 282.388 0.653 20 0 CCADLP CC[N@@H+](CCNC(=O)C[C@H](C)n1cc[nH+]c1)C[C@H](C)O ZINC001420424324 923653706 /nfs/dbraw/zinc/65/37/06/923653706.db2.gz UOQOXYNZPMRCKY-STQMWFEESA-N 2 2 282.388 0.653 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH2+]Cc1ccn(C)n1 ZINC001420445145 923672144 /nfs/dbraw/zinc/67/21/44/923672144.db2.gz ZLOBTCXHRDEQAO-NSHDSACASA-N 2 2 290.371 0.220 20 0 CCADLP CC(C)CNC(=O)C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC001345469835 923899307 /nfs/dbraw/zinc/89/93/07/923899307.db2.gz LPOYBHIOYXYCSS-OCCSQVGLSA-N 2 2 269.389 0.115 20 0 CCADLP CC[C@@H](C(=O)NC[C@H]1CCN1Cc1c[nH+]cn1C)[NH+](C)C ZINC001420853091 923982577 /nfs/dbraw/zinc/98/25/77/923982577.db2.gz CQYZKCSFJCLZLI-OCCSQVGLSA-N 2 2 293.415 0.451 20 0 CCADLP Cc1conc1C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001421004382 924086235 /nfs/dbraw/zinc/08/62/35/924086235.db2.gz ROIYCCUUNGIXIO-GFCCVEGCSA-N 2 2 292.383 0.673 20 0 CCADLP Cc1conc1C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001421004382 924086246 /nfs/dbraw/zinc/08/62/46/924086246.db2.gz ROIYCCUUNGIXIO-GFCCVEGCSA-N 2 2 292.383 0.673 20 0 CCADLP [NH3+]C1CC2(C1)CC(NC(=O)/C=C\C[NH+]1CCOCC1)C2 ZINC001346163149 924091776 /nfs/dbraw/zinc/09/17/76/924091776.db2.gz HMXRBSNWFMPPKY-UPHRSURJSA-N 2 2 279.384 0.261 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)NCCc1cn(C)c[nH+]1 ZINC001346453402 924220946 /nfs/dbraw/zinc/22/09/46/924220946.db2.gz JEDWFWYCZJYJSZ-MNOVXSKESA-N 2 2 265.361 0.117 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001346467981 924228101 /nfs/dbraw/zinc/22/81/01/924228101.db2.gz LFOASWSTHXNWOB-OLZOCXBDSA-N 2 2 264.373 0.952 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCN(c2cnn(C)c2)C1 ZINC001350958335 925323198 /nfs/dbraw/zinc/32/31/98/925323198.db2.gz SKOGJUJNPXGHED-OBJOEFQTSA-N 2 2 263.389 0.729 20 0 CCADLP C[NH+](C)CC(=O)N1CCC(Cc2c[nH]c[nH+]2)CC1 ZINC001353185735 925754539 /nfs/dbraw/zinc/75/45/39/925754539.db2.gz QEJFHLLJMZZMMT-UHFFFAOYSA-N 2 2 250.346 0.752 20 0 CCADLP O=C(NCCn1cc[nH+]c1)[C@@H]1C[NH2+]CCC12CCC2 ZINC001353447469 925836493 /nfs/dbraw/zinc/83/64/93/925836493.db2.gz GANKGPGNFKOHMI-LBPRGKRZSA-N 2 2 262.357 0.779 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)c2ccccc2C[NH3+])CC1 ZINC001353468299 925843332 /nfs/dbraw/zinc/84/33/32/925843332.db2.gz AFPXLIOZKBFTJW-UHFFFAOYSA-N 2 2 291.395 0.940 20 0 CCADLP CC1(C)CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1[NH3+] ZINC001354805061 926168197 /nfs/dbraw/zinc/16/81/97/926168197.db2.gz OBJQAWVMGYSDRQ-ZYHUDNBSSA-N 2 2 262.357 0.641 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)CNCC[NH3+])c1ccccc1Cl ZINC001357336794 926513422 /nfs/dbraw/zinc/51/34/22/926513422.db2.gz FGCBETMQVUHHEM-CYBMUJFWSA-N 2 2 298.818 0.607 20 0 CCADLP CC[N@H+](CCNC(=O)C[C@H]([NH3+])C(F)F)C(C)C ZINC001357391176 926523530 /nfs/dbraw/zinc/52/35/30/926523530.db2.gz GCLCJGSEAKHGER-VIFPVBQESA-N 2 2 251.321 0.815 20 0 CCADLP CC[N@@H+](CCNC(=O)C[C@H]([NH3+])C(F)F)C(C)C ZINC001357391176 926523540 /nfs/dbraw/zinc/52/35/40/926523540.db2.gz GCLCJGSEAKHGER-VIFPVBQESA-N 2 2 251.321 0.815 20 0 CCADLP Cc1cccc(NCCNC(=O)NCC(F)(F)C[NH3+])[nH+]1 ZINC001357465032 926538461 /nfs/dbraw/zinc/53/84/61/926538461.db2.gz YAKLLAILOGPCAD-UHFFFAOYSA-N 2 2 287.314 0.695 20 0 CCADLP [NH3+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[C@H]1F ZINC001357872144 926604767 /nfs/dbraw/zinc/60/47/67/926604767.db2.gz AOUVWZBMACIFID-YUSALJHKSA-N 2 2 266.320 0.343 20 0 CCADLP C[NH+](C)CCC(=O)NC[C@H]1C[N@H+](CCF)CCC1(F)F ZINC001421335812 926682039 /nfs/dbraw/zinc/68/20/39/926682039.db2.gz MOALLDVRHBHRMW-NSHDSACASA-N 2 2 295.349 0.981 20 0 CCADLP C[NH+](C)CCC(=O)NC[C@H]1C[N@@H+](CCF)CCC1(F)F ZINC001421335812 926682045 /nfs/dbraw/zinc/68/20/45/926682045.db2.gz MOALLDVRHBHRMW-NSHDSACASA-N 2 2 295.349 0.981 20 0 CCADLP CCCC[N@@H+]1CC[C@](O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001421351579 926691522 /nfs/dbraw/zinc/69/15/22/926691522.db2.gz RNYJCJNVUSLASW-HNNXBMFYSA-N 2 2 294.399 0.695 20 0 CCADLP CCCC[N@H+]1CC[C@](O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001421351579 926691527 /nfs/dbraw/zinc/69/15/27/926691527.db2.gz RNYJCJNVUSLASW-HNNXBMFYSA-N 2 2 294.399 0.695 20 0 CCADLP CCCC[N@@H+]1CC[C@](O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001421351579 926691537 /nfs/dbraw/zinc/69/15/37/926691537.db2.gz RNYJCJNVUSLASW-HNNXBMFYSA-N 2 2 294.399 0.695 20 0 CCADLP CCCC[N@H+]1CC[C@](O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001421351579 926691543 /nfs/dbraw/zinc/69/15/43/926691543.db2.gz RNYJCJNVUSLASW-HNNXBMFYSA-N 2 2 294.399 0.695 20 0 CCADLP CC(C)[NH2+]CC1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CCCC1 ZINC001421508997 926782651 /nfs/dbraw/zinc/78/26/51/926782651.db2.gz SKCJGIWVGKGVEO-ZDUSSCGKSA-N 2 2 283.416 0.744 20 0 CCADLP CC(C)[NH2+]CC1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCCC1 ZINC001421508997 926782661 /nfs/dbraw/zinc/78/26/61/926782661.db2.gz SKCJGIWVGKGVEO-ZDUSSCGKSA-N 2 2 283.416 0.744 20 0 CCADLP CC[C@@H](C(=O)NC[C@H]1COCC[N@@H+]1CC(C)C)[NH+](C)C ZINC001421698731 926863178 /nfs/dbraw/zinc/86/31/78/926863178.db2.gz HZBSXJBSMFOSMT-KBPBESRZSA-N 2 2 285.432 0.800 20 0 CCADLP CC[C@@H](C(=O)NC[C@H]1COCC[N@H+]1CC(C)C)[NH+](C)C ZINC001421698731 926863193 /nfs/dbraw/zinc/86/31/93/926863193.db2.gz HZBSXJBSMFOSMT-KBPBESRZSA-N 2 2 285.432 0.800 20 0 CCADLP CC(C)[C@@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]C[C@@H](C)O ZINC001422122469 927081370 /nfs/dbraw/zinc/08/13/70/927081370.db2.gz GPDOANWQCPXNGW-CHWSQXEVSA-N 2 2 296.415 0.464 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001361800163 927340730 /nfs/dbraw/zinc/34/07/30/927340730.db2.gz ZITBISJVHQCVGL-CHWSQXEVSA-N 2 2 287.379 0.257 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001361800163 927340743 /nfs/dbraw/zinc/34/07/43/927340743.db2.gz ZITBISJVHQCVGL-CHWSQXEVSA-N 2 2 287.379 0.257 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001361800163 927340751 /nfs/dbraw/zinc/34/07/51/927340751.db2.gz ZITBISJVHQCVGL-CHWSQXEVSA-N 2 2 287.379 0.257 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)CC[N@H+]1CC[C@@H](F)C1 ZINC001361800163 927340759 /nfs/dbraw/zinc/34/07/59/927340759.db2.gz ZITBISJVHQCVGL-CHWSQXEVSA-N 2 2 287.379 0.257 20 0 CCADLP C[C@H](C[NH2+]Cc1ccc(F)cn1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001422578010 927385149 /nfs/dbraw/zinc/38/51/49/927385149.db2.gz OXVAWZIIDJZPRZ-SNVBAGLBSA-N 2 2 291.330 0.781 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001422645504 927432910 /nfs/dbraw/zinc/43/29/10/927432910.db2.gz DSHLHFOBHBEINN-UHFFFAOYSA-N 2 2 283.416 0.435 20 0 CCADLP C[C@H]([NH2+]CCF)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001422853622 927553742 /nfs/dbraw/zinc/55/37/42/927553742.db2.gz MQSNNDWAJXHSAY-NWDGAFQWSA-N 2 2 284.335 0.058 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]1Cc1cnn(C)c1 ZINC001423187009 927719445 /nfs/dbraw/zinc/71/94/45/927719445.db2.gz YGVJISDEAHDDNS-AWEZNQCLSA-N 2 2 293.415 0.451 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+]1Cc1cnn(C)c1 ZINC001423187009 927719457 /nfs/dbraw/zinc/71/94/57/927719457.db2.gz YGVJISDEAHDDNS-AWEZNQCLSA-N 2 2 293.415 0.451 20 0 CCADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1Cc1cnn(C)c1 ZINC001423187009 927719472 /nfs/dbraw/zinc/71/94/72/927719472.db2.gz YGVJISDEAHDDNS-AWEZNQCLSA-N 2 2 293.415 0.451 20 0 CCADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1Cc1cnn(C)c1 ZINC001423187009 927719481 /nfs/dbraw/zinc/71/94/81/927719481.db2.gz YGVJISDEAHDDNS-AWEZNQCLSA-N 2 2 293.415 0.451 20 0 CCADLP C[N@H+](CC(=O)NCC1([NH2+]Cc2ccon2)CC1)C1CCC1 ZINC001423233696 927753695 /nfs/dbraw/zinc/75/36/95/927753695.db2.gz XLYHGDHGNIZEMK-UHFFFAOYSA-N 2 2 292.383 0.897 20 0 CCADLP C[N@@H+](CC(=O)NCC1([NH2+]Cc2ccon2)CC1)C1CCC1 ZINC001423233696 927753709 /nfs/dbraw/zinc/75/37/09/927753709.db2.gz XLYHGDHGNIZEMK-UHFFFAOYSA-N 2 2 292.383 0.897 20 0 CCADLP COCC[NH+]1CCC([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001423666344 927952504 /nfs/dbraw/zinc/95/25/04/927952504.db2.gz NFTYIFSVUWSNQJ-LBPRGKRZSA-N 2 2 294.399 0.815 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[N@@H+](CCCO)CC1 ZINC001424275501 928144965 /nfs/dbraw/zinc/14/49/65/928144965.db2.gz SWWHWIBQZWPGLP-CQSZACIVSA-N 2 2 294.399 0.626 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[N@H+](CCCO)CC1 ZINC001424275501 928144971 /nfs/dbraw/zinc/14/49/71/928144971.db2.gz SWWHWIBQZWPGLP-CQSZACIVSA-N 2 2 294.399 0.626 20 0 CCADLP C[C@@H](CCNC(=O)CCc1c[nH]c[nH+]1)[NH2+]C[C@@H]1CCOC1 ZINC001424572254 928220489 /nfs/dbraw/zinc/22/04/89/928220489.db2.gz MXKGJZGZRVISCA-STQMWFEESA-N 2 2 294.399 0.863 20 0 CCADLP C[C@@H](CCNC(=O)CCc1c[nH+]c[nH]1)[NH2+]C[C@@H]1CCOC1 ZINC001424572254 928220500 /nfs/dbraw/zinc/22/05/00/928220500.db2.gz MXKGJZGZRVISCA-STQMWFEESA-N 2 2 294.399 0.863 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCCO)n1cc[nH+]c1 ZINC001362607124 928242463 /nfs/dbraw/zinc/24/24/63/928242463.db2.gz RPJGVLPSPKVYHN-OLZOCXBDSA-N 2 2 280.372 0.407 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CCCO)n1cc[nH+]c1 ZINC001362607124 928242475 /nfs/dbraw/zinc/24/24/75/928242475.db2.gz RPJGVLPSPKVYHN-OLZOCXBDSA-N 2 2 280.372 0.407 20 0 CCADLP CNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001425639597 928612872 /nfs/dbraw/zinc/61/28/72/928612872.db2.gz LWOOFTDUVUVSFL-NWDGAFQWSA-N 2 2 295.387 0.017 20 0 CCADLP CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001426066141 928746320 /nfs/dbraw/zinc/74/63/20/928746320.db2.gz IPRSGWGBPJXKJL-STQMWFEESA-N 2 2 294.399 0.217 20 0 CCADLP CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001426066141 928746329 /nfs/dbraw/zinc/74/63/29/928746329.db2.gz IPRSGWGBPJXKJL-STQMWFEESA-N 2 2 294.399 0.217 20 0 CCADLP CCc1[nH+]ccn1CCNC(=O)CCc1c[nH+]cn1C ZINC001363346116 929135281 /nfs/dbraw/zinc/13/52/81/929135281.db2.gz RGIZWZKSDTZNMG-UHFFFAOYSA-N 2 2 275.356 0.928 20 0 CCADLP CCO[C@H](C[NH+]1CC(NC(=O)C[NH+]2CCCC2)C1)C1CC1 ZINC001443553256 929641889 /nfs/dbraw/zinc/64/18/89/929641889.db2.gz DKQXXSQFJQEYBJ-OAHLLOKOSA-N 2 2 295.427 0.698 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[N@@H+](C)Cc1cncs1 ZINC001372221562 929770789 /nfs/dbraw/zinc/77/07/89/929770789.db2.gz FEZVHKHMRFDIDB-UHFFFAOYSA-N 2 2 293.396 0.896 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[N@H+](C)Cc1cncs1 ZINC001372221562 929770796 /nfs/dbraw/zinc/77/07/96/929770796.db2.gz FEZVHKHMRFDIDB-UHFFFAOYSA-N 2 2 293.396 0.896 20 0 CCADLP Cc1oncc1C[NH2+]C[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001444386508 929857917 /nfs/dbraw/zinc/85/79/17/929857917.db2.gz ICLFTHNGSFBEIY-SNVBAGLBSA-N 2 2 291.355 0.791 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]C[C@H]1CCOC1 ZINC001444421482 929866929 /nfs/dbraw/zinc/86/69/29/929866929.db2.gz PCNAAUNBJYFMDW-CHWSQXEVSA-N 2 2 280.372 0.262 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001372632206 929902360 /nfs/dbraw/zinc/90/23/60/929902360.db2.gz IPRLGWBOBUPICB-UONOGXRCSA-N 2 2 294.399 0.746 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001372632206 929902368 /nfs/dbraw/zinc/90/23/68/929902368.db2.gz IPRLGWBOBUPICB-UONOGXRCSA-N 2 2 294.399 0.746 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[C@@H]1CC[N@@H+](CCO)C1 ZINC001373204625 930103184 /nfs/dbraw/zinc/10/31/84/930103184.db2.gz GTTZFNVMKJVLFX-CYBMUJFWSA-N 2 2 280.372 0.094 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[C@@H]1CC[N@H+](CCO)C1 ZINC001373204625 930103193 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C[C@H](O)CCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001373596302 930261749 /nfs/dbraw/zinc/26/17/49/930261749.db2.gz SEOJBMHXMVAEAJ-JSGCOSHPSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@H](O)CCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001373596302 930261760 /nfs/dbraw/zinc/26/17/60/930261760.db2.gz SEOJBMHXMVAEAJ-JSGCOSHPSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@H](O)CCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001373596302 930261765 /nfs/dbraw/zinc/26/17/65/930261765.db2.gz SEOJBMHXMVAEAJ-JSGCOSHPSA-N 2 2 294.399 0.694 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001373611957 930270778 /nfs/dbraw/zinc/27/07/78/930270778.db2.gz BMRLQUAPRKODFG-STQMWFEESA-N 2 2 294.399 0.578 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001373611957 930270783 /nfs/dbraw/zinc/27/07/83/930270783.db2.gz BMRLQUAPRKODFG-STQMWFEESA-N 2 2 294.399 0.578 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC(=O)NC ZINC001445885842 930280081 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CC[C@@H]([NH3+])CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000423674512 529566553 /nfs/dbraw/zinc/56/65/53/529566553.db2.gz GUYQXOZUNVZSJS-DGCLKSJQSA-N 2 2 269.389 0.483 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NCC(F)(F)C[NH3+] ZINC000418247042 529593648 /nfs/dbraw/zinc/59/36/48/529593648.db2.gz CROAKFRVYOHKLU-QMMMGPOBSA-N 2 2 275.303 0.857 20 0 CCADLP C[NH2+]CCOCC[N@H+](C)[C@@H](C)c1nc(C(=O)OC)co1 ZINC000601326690 362224094 /nfs/dbraw/zinc/22/40/94/362224094.db2.gz VJZYIJJISLFZJI-JTQLQIEISA-N 2 2 285.344 0.690 20 0 CCADLP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)c1nc(C(=O)OC)co1 ZINC000601326690 362224100 /nfs/dbraw/zinc/22/41/00/362224100.db2.gz VJZYIJJISLFZJI-JTQLQIEISA-N 2 2 285.344 0.690 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601333135 362230042 /nfs/dbraw/zinc/23/00/42/362230042.db2.gz AYYXDLLMMXDESQ-NWDGAFQWSA-N 2 2 282.388 0.296 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601333135 362230049 /nfs/dbraw/zinc/23/00/49/362230049.db2.gz AYYXDLLMMXDESQ-NWDGAFQWSA-N 2 2 282.388 0.296 20 0 CCADLP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)NC(=O)NC1CC1 ZINC000601335334 362230708 /nfs/dbraw/zinc/23/07/08/362230708.db2.gz SLQRHQPMJUPDPY-JQWIXIFHSA-N 2 2 280.372 0.049 20 0 CCADLP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)NC(=O)NC1CC1 ZINC000601335334 362230712 /nfs/dbraw/zinc/23/07/12/362230712.db2.gz SLQRHQPMJUPDPY-JQWIXIFHSA-N 2 2 280.372 0.049 20 0 CCADLP COCC[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000127150449 136386152 /nfs/dbraw/zinc/38/61/52/136386152.db2.gz IUKDZGSTGMCQBE-UHFFFAOYSA-N 2 2 279.388 0.307 20 0 CCADLP COCC[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000127150449 136386153 /nfs/dbraw/zinc/38/61/53/136386153.db2.gz IUKDZGSTGMCQBE-UHFFFAOYSA-N 2 2 279.388 0.307 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@H]1CCCO1 ZINC000617763062 365766052 /nfs/dbraw/zinc/76/60/52/365766052.db2.gz CFURYQGVBSXJCF-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@H]1CCCO1 ZINC000617763062 365766059 /nfs/dbraw/zinc/76/60/59/365766059.db2.gz CFURYQGVBSXJCF-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP C[C@@H]1C[C@H](C)[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)O1 ZINC000617764161 365766819 /nfs/dbraw/zinc/76/68/19/365766819.db2.gz LGHKTKGESWGGGM-BFHYXJOUSA-N 2 2 285.432 0.800 20 0 CCADLP C[C@@H]1C[C@H](C)[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)O1 ZINC000617764161 365766822 /nfs/dbraw/zinc/76/68/22/365766822.db2.gz LGHKTKGESWGGGM-BFHYXJOUSA-N 2 2 285.432 0.800 20 0 CCADLP CCCc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)[nH]n1 ZINC000617768138 365773912 /nfs/dbraw/zinc/77/39/12/365773912.db2.gz QMGRLOSXHALZJR-UHFFFAOYSA-N 2 2 295.431 0.976 20 0 CCADLP CCCc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)[nH]n1 ZINC000617768138 365773916 /nfs/dbraw/zinc/77/39/16/365773916.db2.gz QMGRLOSXHALZJR-UHFFFAOYSA-N 2 2 295.431 0.976 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)NCC(F)(F)C[NH3+] ZINC000423536479 529799180 /nfs/dbraw/zinc/79/91/80/529799180.db2.gz AJOONEYVJRRDPM-UHFFFAOYSA-N 2 2 258.272 0.471 20 0 CCADLP CN(C)c1[nH+]cc(C[NH+]2CCC(CCC(N)=O)CC2)n1C ZINC000425342751 529807266 /nfs/dbraw/zinc/80/72/66/529807266.db2.gz ZVWCPRJFAVZZAD-UHFFFAOYSA-N 2 2 293.415 0.964 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CC[C@@H](O)C(F)(F)F)n1C ZINC000425377565 529809184 /nfs/dbraw/zinc/80/91/84/529809184.db2.gz HHRBJOWCESRZNX-SECBINFHSA-N 2 2 280.294 0.889 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@H](n2cccn2)C1)C1CC1 ZINC000361591540 529942261 /nfs/dbraw/zinc/94/22/61/529942261.db2.gz OCDCMVRNZCBKKR-UONOGXRCSA-N 2 2 264.373 0.585 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@H](n2cccn2)C1)C1CC1 ZINC000361591540 529942262 /nfs/dbraw/zinc/94/22/62/529942262.db2.gz OCDCMVRNZCBKKR-UONOGXRCSA-N 2 2 264.373 0.585 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@H](n2cccn2)C1)C1CC1 ZINC000361591540 529942263 /nfs/dbraw/zinc/94/22/63/529942263.db2.gz OCDCMVRNZCBKKR-UONOGXRCSA-N 2 2 264.373 0.585 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@H](n2cccn2)C1)C1CC1 ZINC000361591540 529942264 /nfs/dbraw/zinc/94/22/64/529942264.db2.gz OCDCMVRNZCBKKR-UONOGXRCSA-N 2 2 264.373 0.585 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000418366391 529982163 /nfs/dbraw/zinc/98/21/63/529982163.db2.gz FRYRHQISTMLWIK-CYBMUJFWSA-N 2 2 291.399 0.769 20 0 CCADLP C[NH2+][C@@H](C)CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000418621134 530039017 /nfs/dbraw/zinc/03/90/17/530039017.db2.gz SIDDXLIKXCXQHQ-WCQYABFASA-N 2 2 278.356 0.852 20 0 CCADLP C[NH+]1CCC(CC(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC000427510668 530048422 /nfs/dbraw/zinc/04/84/22/530048422.db2.gz AOFRVAVGXCSZAN-UHFFFAOYSA-N 2 2 262.357 0.957 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655241862 412517688 /nfs/dbraw/zinc/51/76/88/412517688.db2.gz SWCPVXWRYQKORR-UPJWGTAASA-N 2 2 294.399 0.805 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655241862 412517692 /nfs/dbraw/zinc/51/76/92/412517692.db2.gz SWCPVXWRYQKORR-UPJWGTAASA-N 2 2 294.399 0.805 20 0 CCADLP Cn1cnc2cc(C[NH2+]C[C@@]3(O)CC[N@H+](C)C3)ccc21 ZINC000358172605 232057845 /nfs/dbraw/zinc/05/78/45/232057845.db2.gz UEVQQAXUDCAXAE-HNNXBMFYSA-N 2 2 274.368 0.730 20 0 CCADLP Cn1cnc2cc(C[NH2+]C[C@@]3(O)CC[N@@H+](C)C3)ccc21 ZINC000358172605 232057848 /nfs/dbraw/zinc/05/78/48/232057848.db2.gz UEVQQAXUDCAXAE-HNNXBMFYSA-N 2 2 274.368 0.730 20 0 CCADLP Cc1cc(NC[C@]2(O)CC[N@@H+](C)C2)nc(C2CC2)[nH+]1 ZINC000358353691 232086987 /nfs/dbraw/zinc/08/69/87/232086987.db2.gz OMAZTFYXURIJDD-CQSZACIVSA-N 2 2 262.357 0.563 20 0 CCADLP Cc1cc(NC[C@]2(O)CC[N@H+](C)C2)nc(C2CC2)[nH+]1 ZINC000358353691 232086990 /nfs/dbraw/zinc/08/69/90/232086990.db2.gz OMAZTFYXURIJDD-CQSZACIVSA-N 2 2 262.357 0.563 20 0 CCADLP C[C@H](CNC(=O)CCc1[nH]cc[nH+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655241927 412518382 /nfs/dbraw/zinc/51/83/82/412518382.db2.gz USLRWWIIDAENJH-UPJWGTAASA-N 2 2 294.399 0.956 20 0 CCADLP C[C@H](CNC(=O)CCc1[nH]cc[nH+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655241927 412518385 /nfs/dbraw/zinc/51/83/85/412518385.db2.gz USLRWWIIDAENJH-UPJWGTAASA-N 2 2 294.399 0.956 20 0 CCADLP Cc1cccn2cc(CNC(=O)[C@]3(F)CC[NH2+]C3)[nH+]c12 ZINC000361730550 232210510 /nfs/dbraw/zinc/21/05/10/232210510.db2.gz YJKIMDORLWMIHQ-AWEZNQCLSA-N 2 2 276.315 0.961 20 0 CCADLP CC(C)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602391118 362604498 /nfs/dbraw/zinc/60/44/98/362604498.db2.gz MVHYAXBGXQXZRU-GFCCVEGCSA-N 2 2 268.405 0.863 20 0 CCADLP CC(C)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602391118 362604506 /nfs/dbraw/zinc/60/45/06/362604506.db2.gz MVHYAXBGXQXZRU-GFCCVEGCSA-N 2 2 268.405 0.863 20 0 CCADLP CCn1nc2c(cc1=O)C[N@@H+](CCn1cc[nH+]c1)CC2 ZINC000361766375 232231847 /nfs/dbraw/zinc/23/18/47/232231847.db2.gz JNPXRNSHSVZIPJ-UHFFFAOYSA-N 2 2 273.340 0.518 20 0 CCADLP CCn1nc2c(cc1=O)C[N@H+](CCn1cc[nH+]c1)CC2 ZINC000361766375 232231856 /nfs/dbraw/zinc/23/18/56/232231856.db2.gz JNPXRNSHSVZIPJ-UHFFFAOYSA-N 2 2 273.340 0.518 20 0 CCADLP C[C@@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000119474791 349938524 /nfs/dbraw/zinc/93/85/24/349938524.db2.gz PUJNVTPYBGHQQR-ZFWWWQNUSA-N 2 2 291.395 0.913 20 0 CCADLP CC(C)OC[C@H](O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000119745108 349951315 /nfs/dbraw/zinc/95/13/15/349951315.db2.gz SHFFTPCETASVTL-CYBMUJFWSA-N 2 2 255.362 0.991 20 0 CCADLP CC(C)OC[C@H](O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000119745108 349951319 /nfs/dbraw/zinc/95/13/19/349951319.db2.gz SHFFTPCETASVTL-CYBMUJFWSA-N 2 2 255.362 0.991 20 0 CCADLP COC(=O)c1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)on1 ZINC000602624345 362717722 /nfs/dbraw/zinc/71/77/22/362717722.db2.gz UZOLFORYXPWTOE-SECBINFHSA-N 2 2 276.296 0.762 20 0 CCADLP COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000602707496 362761926 /nfs/dbraw/zinc/76/19/26/362761926.db2.gz BGHCNKRMWIJBSD-WISYIIOYSA-N 2 2 256.346 0.389 20 0 CCADLP COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000602707496 362761927 /nfs/dbraw/zinc/76/19/27/362761927.db2.gz BGHCNKRMWIJBSD-WISYIIOYSA-N 2 2 256.346 0.389 20 0 CCADLP C[C@H]1C[NH+](CCCNC(=O)Cn2cc[nH+]c2)C[C@H](C)O1 ZINC000120139363 349969967 /nfs/dbraw/zinc/96/99/67/349969967.db2.gz HFXJUQDJJUCZRY-STQMWFEESA-N 2 2 280.372 0.499 20 0 CCADLP C[C@H]1C[NH+](C(C)(C)CNC2=[NH+]CCCN2)C[C@H](C)O1 ZINC000261691570 290798608 /nfs/dbraw/zinc/79/86/08/290798608.db2.gz BGMYZEDPZQBQQF-RYUDHWBXSA-N 2 2 268.405 0.813 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CN(c2ccncn2)C1 ZINC000631746443 370653152 /nfs/dbraw/zinc/65/31/52/370653152.db2.gz JULATNCUFIWSSU-FZMZJTMJSA-N 2 2 273.384 0.738 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CN(c2ccncn2)C1 ZINC000631746443 370653158 /nfs/dbraw/zinc/65/31/58/370653158.db2.gz JULATNCUFIWSSU-FZMZJTMJSA-N 2 2 273.384 0.738 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)CCC[NH+](C)C ZINC000631756412 370657983 /nfs/dbraw/zinc/65/79/83/370657983.db2.gz PPDDEDCIHYFIMZ-NSHDSACASA-N 2 2 274.390 0.143 20 0 CCADLP C[C@@H]1C[N@H+](CCc2c[nH+]cn2C)CC[S@@](=O)C1 ZINC000602824705 362820692 /nfs/dbraw/zinc/82/06/92/362820692.db2.gz ZYUVOQRFOYARNL-PIGZYNQJSA-N 2 2 255.387 0.663 20 0 CCADLP C[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)CC[S@@](=O)C1 ZINC000602824705 362820698 /nfs/dbraw/zinc/82/06/98/362820698.db2.gz ZYUVOQRFOYARNL-PIGZYNQJSA-N 2 2 255.387 0.663 20 0 CCADLP O=C(NCCC[NH+]1CCCC1)NCC[NH+]1CCOCC1 ZINC000339328530 215100077 /nfs/dbraw/zinc/10/00/77/215100077.db2.gz MLEOPWGFTJWAJG-UHFFFAOYSA-N 2 2 284.404 0.104 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000249852926 137000872 /nfs/dbraw/zinc/00/08/72/137000872.db2.gz KGDNFMUUJAUEIW-NWDGAFQWSA-N 2 2 284.404 0.672 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000249852926 137000873 /nfs/dbraw/zinc/00/08/73/137000873.db2.gz KGDNFMUUJAUEIW-NWDGAFQWSA-N 2 2 284.404 0.672 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+])C(C)C ZINC000250708819 137001301 /nfs/dbraw/zinc/00/13/01/137001301.db2.gz ZRLDPAZADQEJEO-DZGCQCFKSA-N 2 2 283.416 0.920 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+])C(C)C ZINC000250708819 137001302 /nfs/dbraw/zinc/00/13/02/137001302.db2.gz ZRLDPAZADQEJEO-DZGCQCFKSA-N 2 2 283.416 0.920 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)CC1 ZINC000253090811 137004533 /nfs/dbraw/zinc/00/45/33/137004533.db2.gz IOSFFDZQPOIQMB-KFWWJZLASA-N 2 2 295.427 0.386 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)NC1CCCC1 ZINC000261588909 137011117 /nfs/dbraw/zinc/01/11/17/137011117.db2.gz VWLYCYSBFRLCEJ-YPMHNXCESA-N 2 2 251.374 0.729 20 0 CCADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)NC1CCCC1 ZINC000261588909 137011118 /nfs/dbraw/zinc/01/11/18/137011118.db2.gz VWLYCYSBFRLCEJ-YPMHNXCESA-N 2 2 251.374 0.729 20 0 CCADLP Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261653491 137014507 /nfs/dbraw/zinc/01/45/07/137014507.db2.gz JXRBAMYROFXHLW-YNEHKIRRSA-N 2 2 291.399 0.645 20 0 CCADLP Cc1nn(C)c(C)c1NC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261653491 137014508 /nfs/dbraw/zinc/01/45/08/137014508.db2.gz JXRBAMYROFXHLW-YNEHKIRRSA-N 2 2 291.399 0.645 20 0 CCADLP C[NH2+]CCC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000262397245 137042340 /nfs/dbraw/zinc/04/23/40/137042340.db2.gz OYOMHXWKJBOPRS-UHFFFAOYSA-N 2 2 250.346 0.488 20 0 CCADLP C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000262691677 137050525 /nfs/dbraw/zinc/05/05/25/137050525.db2.gz ANQAABNZSXGYTR-WCQYABFASA-N 2 2 250.346 0.907 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000262699801 137051133 /nfs/dbraw/zinc/05/11/33/137051133.db2.gz GYLXCUYSXBIHIV-GUTXKFCHSA-N 2 2 283.416 0.683 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000262713421 137051683 /nfs/dbraw/zinc/05/16/83/137051683.db2.gz SLFCQVSVSBREQP-OBJOEFQTSA-N 2 2 271.405 0.729 20 0 CCADLP Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](CC[NH3+])C2)n1 ZINC000262900495 137055311 /nfs/dbraw/zinc/05/53/11/137055311.db2.gz DOVHZMHBUVWWEH-GFCCVEGCSA-N 2 2 262.357 0.999 20 0 CCADLP Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](CC[NH3+])C2)n1 ZINC000262900495 137055312 /nfs/dbraw/zinc/05/53/12/137055312.db2.gz DOVHZMHBUVWWEH-GFCCVEGCSA-N 2 2 262.357 0.999 20 0 CCADLP C[C@H]1CCC[C@@H](NC(=O)C[NH+]2CCN(CC[NH3+])CC2)C1 ZINC000262954840 137056076 /nfs/dbraw/zinc/05/60/76/137056076.db2.gz KDBADLIFQTVUEN-UONOGXRCSA-N 2 2 282.432 0.258 20 0 CCADLP C[C@@H]1CCCN(C(=O)C2CC[NH+](CC[NH3+])CC2)C1 ZINC000263099648 137058560 /nfs/dbraw/zinc/05/85/60/137058560.db2.gz ZFNUAXQDBQIMLJ-GFCCVEGCSA-N 2 2 253.390 0.916 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)C[C@H](C)O1 ZINC000261747784 137018021 /nfs/dbraw/zinc/01/80/21/137018021.db2.gz MMBXNLGBXYPGPY-GUTXKFCHSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)C[C@H](C)O1 ZINC000261747784 137018022 /nfs/dbraw/zinc/01/80/22/137018022.db2.gz MMBXNLGBXYPGPY-GUTXKFCHSA-N 2 2 281.400 0.308 20 0 CCADLP C[N@@H+]1CCO[C@@H](c2nc(C3([NH3+])CCCC3)no2)C1 ZINC000261808305 137021158 /nfs/dbraw/zinc/02/11/58/137021158.db2.gz PQDDFLYYNZYDHC-SECBINFHSA-N 2 2 252.318 0.801 20 0 CCADLP C[N@H+]1CCO[C@@H](c2nc(C3([NH3+])CCCC3)no2)C1 ZINC000261808305 137021159 /nfs/dbraw/zinc/02/11/59/137021159.db2.gz PQDDFLYYNZYDHC-SECBINFHSA-N 2 2 252.318 0.801 20 0 CCADLP CC[N@H+](C[C@]1(C)CC[NH2+]C1)[C@@H](C)CS(C)(=O)=O ZINC000261890509 137024077 /nfs/dbraw/zinc/02/40/77/137024077.db2.gz SZJCTKVNQJXKPM-NWDGAFQWSA-N 2 2 262.419 0.741 20 0 CCADLP CC[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@@H](C)CS(C)(=O)=O ZINC000261890509 137024078 /nfs/dbraw/zinc/02/40/78/137024078.db2.gz SZJCTKVNQJXKPM-NWDGAFQWSA-N 2 2 262.419 0.741 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000618190982 365923037 /nfs/dbraw/zinc/92/30/37/365923037.db2.gz OAOSWHSGEHEXIW-OAHLLOKOSA-N 2 2 295.427 0.650 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000618190982 365923038 /nfs/dbraw/zinc/92/30/38/365923038.db2.gz OAOSWHSGEHEXIW-OAHLLOKOSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@H]([NH3+])CC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000261930589 137026733 /nfs/dbraw/zinc/02/67/33/137026733.db2.gz YWMJVTFFISBVHW-WCQYABFASA-N 2 2 287.429 0.048 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CC12CC[NH2+]CC2)[NH+]1CCN(C)CC1 ZINC000261980886 137027540 /nfs/dbraw/zinc/02/75/40/137027540.db2.gz WFUAHFJDUBPIGP-ZIAGYGMSSA-N 2 2 294.443 0.128 20 0 CCADLP C[C@H](NC(=O)[C@H]1CC12CC[NH2+]CC2)[C@H](C)[NH+]1CCOCC1 ZINC000262000234 137027794 /nfs/dbraw/zinc/02/77/94/137027794.db2.gz ZVVOCSLPYYDWRT-MELADBBJSA-N 2 2 295.427 0.602 20 0 CCADLP C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000313151220 137078057 /nfs/dbraw/zinc/07/80/57/137078057.db2.gz GQACOVIMGZJNTN-JSGCOSHPSA-N 2 2 279.384 0.457 20 0 CCADLP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000313151220 137078058 /nfs/dbraw/zinc/07/80/58/137078058.db2.gz GQACOVIMGZJNTN-JSGCOSHPSA-N 2 2 279.384 0.457 20 0 CCADLP CCC[C@H](C(=O)N1CC(n2cc[nH+]c2)C1)[NH+](C)C ZINC000535718178 290836294 /nfs/dbraw/zinc/83/62/94/290836294.db2.gz FAWNNOIVKQVCNZ-GFCCVEGCSA-N 2 2 250.346 0.997 20 0 CCADLP [NH3+]CC[N@H+](CCO)CCC(=O)Nc1ccccc1Cl ZINC000342400682 137091724 /nfs/dbraw/zinc/09/17/24/137091724.db2.gz LTTOVPOMFVWKIC-UHFFFAOYSA-N 2 2 285.775 0.922 20 0 CCADLP [NH3+]CC[N@@H+](CCO)CCC(=O)Nc1ccccc1Cl ZINC000342400682 137091725 /nfs/dbraw/zinc/09/17/25/137091725.db2.gz LTTOVPOMFVWKIC-UHFFFAOYSA-N 2 2 285.775 0.922 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000342477328 137096575 /nfs/dbraw/zinc/09/65/75/137096575.db2.gz QYNQPPFUCQWPSG-AWEZNQCLSA-N 2 2 283.416 0.507 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000342477328 137096576 /nfs/dbraw/zinc/09/65/76/137096576.db2.gz QYNQPPFUCQWPSG-AWEZNQCLSA-N 2 2 283.416 0.507 20 0 CCADLP C[NH+](C)CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000343270161 137123279 /nfs/dbraw/zinc/12/32/79/137123279.db2.gz PFOAMAHXVNZSSW-MCIONIFRSA-N 3 2 255.406 0.685 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000343509233 137139314 /nfs/dbraw/zinc/13/93/14/137139314.db2.gz HQDWRUSYZGHELE-QWHCGFSZSA-N 2 2 291.399 0.442 20 0 CCADLP C[C@@H](CNC(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C)[NH+]1CCOCC1 ZINC000343611958 137145323 /nfs/dbraw/zinc/14/53/23/137145323.db2.gz DQLUACDZPNUQSB-BFHYXJOUSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H](CNC(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C)[NH+]1CCOCC1 ZINC000343611958 137145324 /nfs/dbraw/zinc/14/53/24/137145324.db2.gz DQLUACDZPNUQSB-BFHYXJOUSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@]1(N2CCOCC2)CCSC1 ZINC000343696130 137150217 /nfs/dbraw/zinc/15/02/17/137150217.db2.gz RFRSVEBPQQNISX-KFWWJZLASA-N 2 2 299.484 0.734 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@]1(N2CCOCC2)CCSC1 ZINC000343696130 137150218 /nfs/dbraw/zinc/15/02/18/137150218.db2.gz RFRSVEBPQQNISX-KFWWJZLASA-N 2 2 299.484 0.734 20 0 CCADLP C[C@@H](C(=O)N(C)CCC[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000343744291 137153983 /nfs/dbraw/zinc/15/39/83/137153983.db2.gz BNPPXPVHHDOSJD-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000343788722 137157426 /nfs/dbraw/zinc/15/74/26/137157426.db2.gz BDBBUEHYVVMEAQ-LLVKDONJSA-N 2 2 286.326 0.976 20 0 CCADLP NC(=O)[C@H]1CCO[C@H]1C1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000343820961 137159653 /nfs/dbraw/zinc/15/96/53/137159653.db2.gz IRKISYJVWRMMBF-KBPBESRZSA-N 2 2 292.383 0.486 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)N(C)C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343927575 137167458 /nfs/dbraw/zinc/16/74/58/137167458.db2.gz SHDSIJOKSBMRGL-ZIAGYGMSSA-N 2 2 282.432 0.032 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343927575 137167459 /nfs/dbraw/zinc/16/74/59/137167459.db2.gz SHDSIJOKSBMRGL-ZIAGYGMSSA-N 2 2 282.432 0.032 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1[nH+]ccn1C ZINC000344024529 137173637 /nfs/dbraw/zinc/17/36/37/137173637.db2.gz VNYILOYVRULPKR-SNVBAGLBSA-N 2 2 262.317 0.505 20 0 CCADLP NS(=O)(=O)C[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000343302709 137125979 /nfs/dbraw/zinc/12/59/79/137125979.db2.gz MGBXIPMKVSFHSN-LLVKDONJSA-N 2 2 272.374 0.026 20 0 CCADLP NS(=O)(=O)C[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000343302709 137125980 /nfs/dbraw/zinc/12/59/80/137125980.db2.gz MGBXIPMKVSFHSN-LLVKDONJSA-N 2 2 272.374 0.026 20 0 CCADLP COC[C@@](C)(CC(=O)OC)[NH2+]CCCn1cc[nH+]c1 ZINC000343304066 137126819 /nfs/dbraw/zinc/12/68/19/137126819.db2.gz PMYCTIUURUCWBI-CYBMUJFWSA-N 2 2 269.345 0.831 20 0 CCADLP CN(C)C(=O)CC[NH+]1CCN(CCCn2cc[nH+]c2)CC1 ZINC000343318346 137127605 /nfs/dbraw/zinc/12/76/05/137127605.db2.gz GNWYAWDSRMIDST-UHFFFAOYSA-N 2 2 293.415 0.369 20 0 CCADLP C[C@@H](C[NH2+][C@H]1C[N@H+](C)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000344267950 137186611 /nfs/dbraw/zinc/18/66/11/137186611.db2.gz YLKDEEXVFYKTMR-RDBSUJKOSA-N 3 2 254.422 0.162 20 0 CCADLP C[C@@H](C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000344267950 137186612 /nfs/dbraw/zinc/18/66/12/137186612.db2.gz YLKDEEXVFYKTMR-RDBSUJKOSA-N 3 2 254.422 0.162 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2cnc(C)[nH]c2=O)C1 ZINC000344329698 137188848 /nfs/dbraw/zinc/18/88/48/137188848.db2.gz NGHWXOOSRPKACT-JOYOIKCWSA-N 2 2 250.346 0.920 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2cnc(C)[nH]c2=O)C1 ZINC000344329698 137188849 /nfs/dbraw/zinc/18/88/49/137188849.db2.gz NGHWXOOSRPKACT-JOYOIKCWSA-N 2 2 250.346 0.920 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCCC[NH+]1CCOCC1 ZINC000344202343 137183353 /nfs/dbraw/zinc/18/33/53/137183353.db2.gz OKZRHKNSBRUDJX-UHFFFAOYSA-N 2 2 266.345 0.181 20 0 CCADLP COCC[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000684434319 545668377 /nfs/dbraw/zinc/66/83/77/545668377.db2.gz JLEZMBOBIAGDRX-CYBMUJFWSA-N 2 2 280.372 0.569 20 0 CCADLP COCC[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000684434319 545668379 /nfs/dbraw/zinc/66/83/79/545668379.db2.gz JLEZMBOBIAGDRX-CYBMUJFWSA-N 2 2 280.372 0.569 20 0 CCADLP COCC[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000684434319 545668384 /nfs/dbraw/zinc/66/83/84/545668384.db2.gz JLEZMBOBIAGDRX-CYBMUJFWSA-N 2 2 280.372 0.569 20 0 CCADLP COCC[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000684434319 545668387 /nfs/dbraw/zinc/66/83/87/545668387.db2.gz JLEZMBOBIAGDRX-CYBMUJFWSA-N 2 2 280.372 0.569 20 0 CCADLP Cc1[nH+]ccn1CCCCNC(=O)[C@@H]1[NH2+]CCO[C@H]1C ZINC000344419062 137193400 /nfs/dbraw/zinc/19/34/00/137193400.db2.gz NHYODOHDOZFATN-WCQYABFASA-N 2 2 280.372 0.465 20 0 CCADLP CC[N@@H+]1CC[C@@H]2OCCN(Cc3c[nH+]cn3C)[C@@H]2C1 ZINC000339387950 215139254 /nfs/dbraw/zinc/13/92/54/215139254.db2.gz RVDWFZLBAHUTKV-KGLIPLIRSA-N 2 2 264.373 0.715 20 0 CCADLP CC[N@H+]1CC[C@@H]2OCCN(Cc3c[nH+]cn3C)[C@@H]2C1 ZINC000339387950 215139256 /nfs/dbraw/zinc/13/92/56/215139256.db2.gz RVDWFZLBAHUTKV-KGLIPLIRSA-N 2 2 264.373 0.715 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCOC[C@H]1CCOC1 ZINC000344533954 137199780 /nfs/dbraw/zinc/19/97/80/137199780.db2.gz QFNFZDBYUXNXEZ-MGPQQGTHSA-N 2 2 256.390 0.969 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCOC[C@H]1CCOC1 ZINC000344533954 137199781 /nfs/dbraw/zinc/19/97/81/137199781.db2.gz QFNFZDBYUXNXEZ-MGPQQGTHSA-N 2 2 256.390 0.969 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCOC[C@H]1CCOC1 ZINC000344533952 137200105 /nfs/dbraw/zinc/20/01/05/137200105.db2.gz QFNFZDBYUXNXEZ-MCIONIFRSA-N 2 2 256.390 0.969 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCOC[C@H]1CCOC1 ZINC000344533952 137200106 /nfs/dbraw/zinc/20/01/06/137200106.db2.gz QFNFZDBYUXNXEZ-MCIONIFRSA-N 2 2 256.390 0.969 20 0 CCADLP O=C([C@H]1CSC[NH2+]1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019428894 348061971 /nfs/dbraw/zinc/06/19/71/348061971.db2.gz KIXIRXCTZQZHSU-CQSZACIVSA-N 2 2 291.420 0.993 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC000344771600 137212448 /nfs/dbraw/zinc/21/24/48/137212448.db2.gz YNRFGECZXJZUDC-RISCZKNCSA-N 2 2 277.368 0.590 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC000344771600 137212449 /nfs/dbraw/zinc/21/24/49/137212449.db2.gz YNRFGECZXJZUDC-RISCZKNCSA-N 2 2 277.368 0.590 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C1([NH3+])CCCCC1 ZINC000037008693 348178731 /nfs/dbraw/zinc/17/87/31/348178731.db2.gz YMNCMFFAONHHFB-LBPRGKRZSA-N 2 2 269.389 0.485 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000037008718 348178771 /nfs/dbraw/zinc/17/87/71/348178771.db2.gz MYJDEXXWRXOERL-UKRRQHHQSA-N 2 2 291.395 0.393 20 0 CCADLP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(CC[NH3+])CC1 ZINC000037039647 348182747 /nfs/dbraw/zinc/18/27/47/348182747.db2.gz AAIUOIROTUMUAM-LBPRGKRZSA-N 2 2 268.405 0.010 20 0 CCADLP OCc1cn([C@H]2CCC[N@H+](CCCn3cc[nH+]c3)C2)nn1 ZINC000339419846 215158622 /nfs/dbraw/zinc/15/86/22/215158622.db2.gz NOGQNRDHMZGHSD-AWEZNQCLSA-N 2 2 290.371 0.694 20 0 CCADLP OCc1cn([C@H]2CCC[N@@H+](CCCn3cc[nH+]c3)C2)nn1 ZINC000339419846 215158624 /nfs/dbraw/zinc/15/86/24/215158624.db2.gz NOGQNRDHMZGHSD-AWEZNQCLSA-N 2 2 290.371 0.694 20 0 CCADLP Cc1nc(N2CCC[N@@H+]([C@@H](C)CO)CC2)nc(N(C)C)[nH+]1 ZINC000345045781 137230005 /nfs/dbraw/zinc/23/00/05/137230005.db2.gz YBXDUFVDZMKLIZ-NSHDSACASA-N 2 2 294.403 0.139 20 0 CCADLP Cc1nc(N2CCC[N@H+]([C@@H](C)CO)CC2)nc(N(C)C)[nH+]1 ZINC000345045781 137230006 /nfs/dbraw/zinc/23/00/06/137230006.db2.gz YBXDUFVDZMKLIZ-NSHDSACASA-N 2 2 294.403 0.139 20 0 CCADLP C[NH2+]CC(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000040824614 348243575 /nfs/dbraw/zinc/24/35/75/348243575.db2.gz OFWYUIQYEJQWJV-GFCCVEGCSA-N 2 2 257.378 0.069 20 0 CCADLP CC(C)C[C@@H](CNC(=O)[C@@H]1CCCC[NH2+]1)[NH+]1CCOCC1 ZINC000040824547 348243650 /nfs/dbraw/zinc/24/36/50/348243650.db2.gz WDRXGMULEUXRLO-GJZGRUSLSA-N 2 2 297.443 0.992 20 0 CCADLP [NH3+][C@H](CC(F)F)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000345749297 137250130 /nfs/dbraw/zinc/25/01/30/137250130.db2.gz SSDAACHTOANHCI-SNVBAGLBSA-N 2 2 282.294 0.976 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000346271555 137276520 /nfs/dbraw/zinc/27/65/20/137276520.db2.gz FBLKJHUYALMEBC-UHFFFAOYSA-N 3 2 266.389 0.580 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000346271555 137276521 /nfs/dbraw/zinc/27/65/21/137276521.db2.gz FBLKJHUYALMEBC-UHFFFAOYSA-N 3 2 266.389 0.580 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+](C)C1CCN(CCO)CC1 ZINC000346271555 137276522 /nfs/dbraw/zinc/27/65/22/137276522.db2.gz FBLKJHUYALMEBC-UHFFFAOYSA-N 2 2 266.389 0.580 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+](C)C1CCN(CCO)CC1 ZINC000346271555 137276523 /nfs/dbraw/zinc/27/65/23/137276523.db2.gz FBLKJHUYALMEBC-UHFFFAOYSA-N 2 2 266.389 0.580 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCCC[NH+]1CCOCC1 ZINC000346152531 137269946 /nfs/dbraw/zinc/26/99/46/137269946.db2.gz QTBLUGBDGGWRLL-UHFFFAOYSA-N 2 2 280.372 0.489 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)NCCCC[NH+]1CCOCC1 ZINC000346152531 137269947 /nfs/dbraw/zinc/26/99/47/137269947.db2.gz QTBLUGBDGGWRLL-UHFFFAOYSA-N 2 2 280.372 0.489 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000346181875 137271292 /nfs/dbraw/zinc/27/12/92/137271292.db2.gz BXRTTYINIVEVFN-JSGCOSHPSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000346181875 137271293 /nfs/dbraw/zinc/27/12/93/137271293.db2.gz BXRTTYINIVEVFN-JSGCOSHPSA-N 2 2 283.416 0.554 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(CO)CC2)CC1 ZINC000046090666 348349751 /nfs/dbraw/zinc/34/97/51/348349751.db2.gz BDHMXLYIDGTSFJ-CYBMUJFWSA-N 2 2 283.416 0.243 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000044806190 348326515 /nfs/dbraw/zinc/32/65/15/348326515.db2.gz DYYPKZZOTXGGNG-NEPJUHHUSA-N 2 2 257.378 0.054 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](CCOC2CCC2)CC1 ZINC000346842884 137307941 /nfs/dbraw/zinc/30/79/41/137307941.db2.gz KOLPMUREYZJVEX-UHFFFAOYSA-N 2 2 269.389 0.261 20 0 CCADLP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(C)C)[nH]2)CC[C@H]1[NH3+] ZINC000347147844 137322726 /nfs/dbraw/zinc/32/27/26/137322726.db2.gz YRDDHKNQYKHQST-ZYHUDNBSSA-N 2 2 264.373 0.886 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(C)C)[nH]2)CC[C@H]1[NH3+] ZINC000347147844 137322727 /nfs/dbraw/zinc/32/27/27/137322727.db2.gz YRDDHKNQYKHQST-ZYHUDNBSSA-N 2 2 264.373 0.886 20 0 CCADLP CS(=O)(=O)CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047970597 348393966 /nfs/dbraw/zinc/39/39/66/348393966.db2.gz PENNDHHKSUKJQB-UHFFFAOYSA-N 2 2 274.430 0.839 20 0 CCADLP CC(C)[N@H+](CCn1cc[nH+]c1)CCS(C)(=O)=O ZINC000120438777 349987008 /nfs/dbraw/zinc/98/70/08/349987008.db2.gz SZMVYCRUNOIESA-UHFFFAOYSA-N 2 2 259.375 0.638 20 0 CCADLP CC(C)[N@@H+](CCn1cc[nH+]c1)CCS(C)(=O)=O ZINC000120438777 349987009 /nfs/dbraw/zinc/98/70/09/349987009.db2.gz SZMVYCRUNOIESA-UHFFFAOYSA-N 2 2 259.375 0.638 20 0 CCADLP Cn1cc[nH+]c1[C@H](NC(=O)C[NH3+])c1cccc(F)c1 ZINC000347637159 137346960 /nfs/dbraw/zinc/34/69/60/137346960.db2.gz RXKWALQBCBWWNY-GFCCVEGCSA-N 2 2 262.288 0.724 20 0 CCADLP CCOC[C@H](O)C[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000347739266 137354047 /nfs/dbraw/zinc/35/40/47/137354047.db2.gz MOPIQYKZYGGUFM-CQSZACIVSA-N 2 2 279.384 0.909 20 0 CCADLP COCC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccco1 ZINC000348058976 137370797 /nfs/dbraw/zinc/37/07/97/137370797.db2.gz ZQWUTDCYUNXHKY-ZDUSSCGKSA-N 2 2 295.383 0.721 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)[C@@H]2CCC[C@H]21 ZINC000353432938 290220245 /nfs/dbraw/zinc/22/02/45/290220245.db2.gz DQASPKQQMULJSF-XDQVBPFNSA-N 2 2 286.441 0.884 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)[C@@H]2CCC[C@H]21 ZINC000353432938 290220249 /nfs/dbraw/zinc/22/02/49/290220249.db2.gz DQASPKQQMULJSF-XDQVBPFNSA-N 2 2 286.441 0.884 20 0 CCADLP CC[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000120516893 349990624 /nfs/dbraw/zinc/99/06/24/349990624.db2.gz RGFQGFJGBJTIAO-ZDUSSCGKSA-N 2 2 253.390 0.882 20 0 CCADLP CC[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000120516893 349990625 /nfs/dbraw/zinc/99/06/25/349990625.db2.gz RGFQGFJGBJTIAO-ZDUSSCGKSA-N 2 2 253.390 0.882 20 0 CCADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000050247312 348472082 /nfs/dbraw/zinc/47/20/82/348472082.db2.gz BDUWXZVTZOSVSQ-SNVBAGLBSA-N 2 2 268.361 0.035 20 0 CCADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000050247312 348472085 /nfs/dbraw/zinc/47/20/85/348472085.db2.gz BDUWXZVTZOSVSQ-SNVBAGLBSA-N 2 2 268.361 0.035 20 0 CCADLP [NH3+][C@@H](C(=O)N1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000062254571 348666900 /nfs/dbraw/zinc/66/69/00/348666900.db2.gz HYVRPAJZYFUBGE-CYBMUJFWSA-N 2 2 256.309 0.925 20 0 CCADLP COCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000058970659 348635908 /nfs/dbraw/zinc/63/59/08/348635908.db2.gz XAHDNNGGQPNHAB-UHFFFAOYSA-N 2 2 257.378 0.117 20 0 CCADLP COCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000058970659 348635910 /nfs/dbraw/zinc/63/59/10/348635910.db2.gz XAHDNNGGQPNHAB-UHFFFAOYSA-N 2 2 257.378 0.117 20 0 CCADLP C[C@H]1C[N@@H+](C2CC[NH+](CCC(=O)N(C)C)CC2)CCO1 ZINC000067457409 348775154 /nfs/dbraw/zinc/77/51/54/348775154.db2.gz ZHUDEXNFQSTXNT-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@H]1C[N@H+](C2CC[NH+](CCC(=O)N(C)C)CC2)CCO1 ZINC000067457409 348775157 /nfs/dbraw/zinc/77/51/57/348775157.db2.gz ZHUDEXNFQSTXNT-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+]1CCN(C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000066475106 348744218 /nfs/dbraw/zinc/74/42/18/348744218.db2.gz OWLCTJPZYONZIM-KFWWJZLASA-N 2 2 285.432 0.094 20 0 CCADLP Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000068800254 348821875 /nfs/dbraw/zinc/82/18/75/348821875.db2.gz GTQSCHOUOGOUKW-GFCCVEGCSA-N 2 2 251.378 0.362 20 0 CCADLP Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000068800254 348821878 /nfs/dbraw/zinc/82/18/78/348821878.db2.gz GTQSCHOUOGOUKW-GFCCVEGCSA-N 2 2 251.378 0.362 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCCC[C@@H]2O)n1C ZINC000070144087 348873114 /nfs/dbraw/zinc/87/31/14/348873114.db2.gz HQKKNFJEMSDTEU-RYUDHWBXSA-N 2 2 252.362 0.879 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000070174514 348876423 /nfs/dbraw/zinc/87/64/23/348876423.db2.gz DVVPLQWETUPBAH-MNOVXSKESA-N 2 2 284.404 0.670 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000070174514 348876425 /nfs/dbraw/zinc/87/64/25/348876425.db2.gz DVVPLQWETUPBAH-MNOVXSKESA-N 2 2 284.404 0.670 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000070252845 348881674 /nfs/dbraw/zinc/88/16/74/348881674.db2.gz OBZKIXDFNNINNA-NEPJUHHUSA-N 2 2 262.357 0.778 20 0 CCADLP C[C@@H]([NH3+])CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000070314807 348884627 /nfs/dbraw/zinc/88/46/27/348884627.db2.gz FTHGGJQMGMDAAK-GFCCVEGCSA-N 2 2 262.357 0.858 20 0 CCADLP C[NH+](C)C1(CNC(=O)CCCn2cc[nH+]c2)CCOCC1 ZINC000073323383 348947937 /nfs/dbraw/zinc/94/79/37/348947937.db2.gz FDYSYHFSKMGXCL-UHFFFAOYSA-N 2 2 294.399 0.890 20 0 CCADLP COC[C@H](O)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000071269411 348906620 /nfs/dbraw/zinc/90/66/20/348906620.db2.gz BSRNSJCSMUNPIS-CYBMUJFWSA-N 2 2 265.357 0.647 20 0 CCADLP C(CN1CC[NH+](C[C@H]2CCCO2)CC1)C[NH+]1CCOCC1 ZINC000075590113 349039735 /nfs/dbraw/zinc/03/97/35/349039735.db2.gz QVEGCKKZVPTXEY-MRXNPFEDSA-N 2 2 297.443 0.505 20 0 CCADLP O=C1OCC[C@H]1CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000120727630 350002363 /nfs/dbraw/zinc/00/23/63/350002363.db2.gz FFLDISAAFSENLL-UONOGXRCSA-N 2 2 282.384 0.594 20 0 CCADLP O=C1OCC[C@H]1CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000120727630 350002365 /nfs/dbraw/zinc/00/23/65/350002365.db2.gz FFLDISAAFSENLL-UONOGXRCSA-N 2 2 282.384 0.594 20 0 CCADLP O=C(NCc1[nH]cc[nH+]1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000080626143 349223249 /nfs/dbraw/zinc/22/32/49/349223249.db2.gz DFONAOHRPGYSDC-CYBMUJFWSA-N 2 2 256.309 0.913 20 0 CCADLP O[C@@H](CN1CCC[C@@H]([NH+]2CCCC2)C1)C[NH+]1CCOCC1 ZINC000079882339 349193453 /nfs/dbraw/zinc/19/34/53/349193453.db2.gz FBTVLKZSUMMTHE-HZPDHXFCSA-N 2 2 297.443 0.240 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)[C@@H]1CCCCC[NH2+]1 ZINC000080993610 349238483 /nfs/dbraw/zinc/23/84/83/349238483.db2.gz VCCSPPJKBWWNSG-LBPRGKRZSA-N 2 2 250.346 0.922 20 0 CCADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)CS(C)(=O)=O)CC1 ZINC000081899180 349287657 /nfs/dbraw/zinc/28/76/57/349287657.db2.gz LMHHMDOBEZWOLT-NSHDSACASA-N 2 2 262.419 0.882 20 0 CCADLP CC(C)[C@@H](C[NH3+])C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000087526942 349351373 /nfs/dbraw/zinc/35/13/73/349351373.db2.gz PFSJFXCTHDWLJA-OAHLLOKOSA-N 2 2 290.411 0.957 20 0 CCADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H](C)CC(=O)N(C)C ZINC000090046843 349423328 /nfs/dbraw/zinc/42/33/28/349423328.db2.gz RZECWZQKQMEXAF-CHWSQXEVSA-N 2 2 271.405 0.554 20 0 CCADLP CCn1c[nH+]cc1C[NH2+][C@@H]1CCC(=O)N(C)C1=O ZINC000090174066 349428508 /nfs/dbraw/zinc/42/85/08/349428508.db2.gz CEXNYRKIWZYEIZ-SNVBAGLBSA-N 2 2 250.302 0.140 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000121101664 350022447 /nfs/dbraw/zinc/02/24/47/350022447.db2.gz IJTCTPAOSJNOSB-OAHLLOKOSA-N 2 2 288.395 0.820 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000121101664 350022451 /nfs/dbraw/zinc/02/24/51/350022451.db2.gz IJTCTPAOSJNOSB-OAHLLOKOSA-N 2 2 288.395 0.820 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C[NH3+])C1 ZINC000122637056 350067664 /nfs/dbraw/zinc/06/76/64/350067664.db2.gz XQYUDHGKSHRNBD-ZDUSSCGKSA-N 2 2 281.787 0.984 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C[NH3+])C1 ZINC000122637056 350067669 /nfs/dbraw/zinc/06/76/69/350067669.db2.gz XQYUDHGKSHRNBD-ZDUSSCGKSA-N 2 2 281.787 0.984 20 0 CCADLP C[NH2+]CCC[N@H+](C)CCn1nc2ccccn2c1=O ZINC000124929231 350110569 /nfs/dbraw/zinc/11/05/69/350110569.db2.gz WDXYBEGVVYEEAI-UHFFFAOYSA-N 2 2 263.345 0.037 20 0 CCADLP C[NH2+]CCC[N@@H+](C)CCn1nc2ccccn2c1=O ZINC000124929231 350110574 /nfs/dbraw/zinc/11/05/74/350110574.db2.gz WDXYBEGVVYEEAI-UHFFFAOYSA-N 2 2 263.345 0.037 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2COc3ccccc32)[C@H](C[NH3+])C1 ZINC000124290803 350093845 /nfs/dbraw/zinc/09/38/45/350093845.db2.gz DJFDXWKYCVAVRC-DGCLKSJQSA-N 2 2 275.352 0.264 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2COc3ccccc32)[C@H](C[NH3+])C1 ZINC000124290803 350093848 /nfs/dbraw/zinc/09/38/48/350093848.db2.gz DJFDXWKYCVAVRC-DGCLKSJQSA-N 2 2 275.352 0.264 20 0 CCADLP C[N@@H+]1CCN(C(=O)c2cccc3cccnc32)[C@@H](C[NH3+])C1 ZINC000124298961 350094485 /nfs/dbraw/zinc/09/44/85/350094485.db2.gz JHHSUWRTAXZFAN-ZDUSSCGKSA-N 2 2 284.363 0.950 20 0 CCADLP C[N@H+]1CCN(C(=O)c2cccc3cccnc32)[C@@H](C[NH3+])C1 ZINC000124298961 350094489 /nfs/dbraw/zinc/09/44/89/350094489.db2.gz JHHSUWRTAXZFAN-ZDUSSCGKSA-N 2 2 284.363 0.950 20 0 CCADLP C[N@@H+]1CCN(C(=O)c2cccc3ncccc32)[C@@H](C[NH3+])C1 ZINC000124305990 350094499 /nfs/dbraw/zinc/09/44/99/350094499.db2.gz WIABIFZJGWGUFM-LBPRGKRZSA-N 2 2 284.363 0.950 20 0 CCADLP C[N@H+]1CCN(C(=O)c2cccc3ncccc32)[C@@H](C[NH3+])C1 ZINC000124305990 350094501 /nfs/dbraw/zinc/09/45/01/350094501.db2.gz WIABIFZJGWGUFM-LBPRGKRZSA-N 2 2 284.363 0.950 20 0 CCADLP C[NH2+]CCC[N@H+](C)CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000129784126 350223135 /nfs/dbraw/zinc/22/31/35/350223135.db2.gz UTKVJSFODPWGIC-TXEJJXNPSA-N 2 2 257.378 0.164 20 0 CCADLP C[NH2+]CCC[N@@H+](C)CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000129784126 350223138 /nfs/dbraw/zinc/22/31/38/350223138.db2.gz UTKVJSFODPWGIC-TXEJJXNPSA-N 2 2 257.378 0.164 20 0 CCADLP CNC(=O)C[NH+]1CCC(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000128961511 350202666 /nfs/dbraw/zinc/20/26/66/350202666.db2.gz ZCSDTKAWNXIISA-TZMCWYRMSA-N 2 2 294.443 0.412 20 0 CCADLP CNC(=O)C[NH+]1CCC(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000128961511 350202668 /nfs/dbraw/zinc/20/26/68/350202668.db2.gz ZCSDTKAWNXIISA-TZMCWYRMSA-N 2 2 294.443 0.412 20 0 CCADLP c1c[nH+]c(CN2CC[C@H](C[NH+]3CCOCC3)C2)[nH]1 ZINC000129411227 350214093 /nfs/dbraw/zinc/21/40/93/350214093.db2.gz WYLPVMRWRRJBQC-GFCCVEGCSA-N 2 2 250.346 0.564 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CCOCC2CC2)CC1 ZINC000130849243 350250832 /nfs/dbraw/zinc/25/08/32/350250832.db2.gz RSAYNWBGVDZBNC-CQSZACIVSA-N 2 2 297.443 0.897 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CCOCC2CC2)CC1 ZINC000130849243 350250835 /nfs/dbraw/zinc/25/08/35/350250835.db2.gz RSAYNWBGVDZBNC-CQSZACIVSA-N 2 2 297.443 0.897 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000132847496 350317960 /nfs/dbraw/zinc/31/79/60/350317960.db2.gz FGJDKVNSXMXCFJ-CYBMUJFWSA-N 2 2 294.399 0.530 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000132847496 350317966 /nfs/dbraw/zinc/31/79/66/350317966.db2.gz FGJDKVNSXMXCFJ-CYBMUJFWSA-N 2 2 294.399 0.530 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000134489825 350366146 /nfs/dbraw/zinc/36/61/46/350366146.db2.gz KPOMQISPIVNQHG-OLZOCXBDSA-N 2 2 269.389 0.213 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CC(=O)NC(C)(C)C)n1C ZINC000135027374 350382468 /nfs/dbraw/zinc/38/24/68/350382468.db2.gz HPMMOKGNDMLUHO-UHFFFAOYSA-N 2 2 267.377 0.490 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@@H](C)COC)CC1 ZINC000135518587 350399253 /nfs/dbraw/zinc/39/92/53/350399253.db2.gz GZFKWPGZAQEIHC-ZDUSSCGKSA-N 2 2 271.405 0.507 20 0 CCADLP CC(C)(C)[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000136033720 350412863 /nfs/dbraw/zinc/41/28/63/350412863.db2.gz YSKWVWVSBCSJOE-LLVKDONJSA-N 2 2 264.373 0.950 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000136200146 350417151 /nfs/dbraw/zinc/41/71/51/350417151.db2.gz QOFCONKMEAMTIY-OCCSQVGLSA-N 2 2 269.389 0.356 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000136202410 350418832 /nfs/dbraw/zinc/41/88/32/350418832.db2.gz CSQKILFMYDTCSY-AAEUAGOBSA-N 2 2 250.346 0.920 20 0 CCADLP [NH3+]C1(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CCC1 ZINC000148143398 350471964 /nfs/dbraw/zinc/47/19/64/350471964.db2.gz TUKLUHNWWLAZPX-UHFFFAOYSA-N 2 2 290.367 0.416 20 0 CCADLP COCC[NH+]1CCN(Cc2cc(OC)cc[nH+]2)CC1 ZINC000106859632 186143216 /nfs/dbraw/zinc/14/32/16/186143216.db2.gz JTGTXIDMILERGW-UHFFFAOYSA-N 2 2 265.357 0.854 20 0 CCADLP CCS(=O)(=O)NCCC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000151653057 350506600 /nfs/dbraw/zinc/50/66/00/350506600.db2.gz LTTXBOYEIBNQCJ-UHFFFAOYSA-N 2 2 291.461 0.778 20 0 CCADLP Cc1cc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)nc[nH+]1 ZINC000151632151 350505430 /nfs/dbraw/zinc/50/54/30/350505430.db2.gz YJBSEKNHZNEVJT-CYBMUJFWSA-N 2 2 289.383 0.528 20 0 CCADLP Cc1cc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)nc[nH+]1 ZINC000151632151 350505432 /nfs/dbraw/zinc/50/54/32/350505432.db2.gz YJBSEKNHZNEVJT-CYBMUJFWSA-N 2 2 289.383 0.528 20 0 CCADLP C[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107574403 186179281 /nfs/dbraw/zinc/17/92/81/186179281.db2.gz ZFLNSNXYCLSGAY-UPJWGTAASA-N 2 2 251.374 0.539 20 0 CCADLP C[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107574403 186179282 /nfs/dbraw/zinc/17/92/82/186179282.db2.gz ZFLNSNXYCLSGAY-UPJWGTAASA-N 2 2 251.374 0.539 20 0 CCADLP CCCC[C@H]([NH3+])C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000154597201 350593752 /nfs/dbraw/zinc/59/37/52/350593752.db2.gz GFMNAXKMQWJZCC-MELADBBJSA-N 2 2 283.416 0.683 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000154742825 350597752 /nfs/dbraw/zinc/59/77/52/350597752.db2.gz RIHNKHPTMUCBSD-OAHLLOKOSA-N 2 2 295.427 0.794 20 0 CCADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000154992530 350606348 /nfs/dbraw/zinc/60/63/48/350606348.db2.gz STJLNBVIXPCKQT-KKUMJFAQSA-N 3 2 268.449 0.552 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109793252 186271608 /nfs/dbraw/zinc/27/16/08/186271608.db2.gz DZPILKWROCEABV-NSHDSACASA-N 2 2 293.371 0.754 20 0 CCADLP NC(=O)C[NH+]1CCC(Nc2cc[nH+]c(C3CC3)n2)CC1 ZINC000110126016 186286509 /nfs/dbraw/zinc/28/65/09/186286509.db2.gz FGNWYSSLOBCEHH-UHFFFAOYSA-N 2 2 275.356 0.716 20 0 CCADLP Cc1nn(C)c(C)c1CCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000162466463 350745044 /nfs/dbraw/zinc/74/50/44/350745044.db2.gz MDILYUVMFUKJEL-CYBMUJFWSA-N 2 2 293.415 0.071 20 0 CCADLP Cc1nn(C)c(C)c1CCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000162466463 350745048 /nfs/dbraw/zinc/74/50/48/350745048.db2.gz MDILYUVMFUKJEL-CYBMUJFWSA-N 2 2 293.415 0.071 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCCOc2cccnc2)[C@@H](C[NH3+])C1 ZINC000162632392 350748010 /nfs/dbraw/zinc/74/80/10/350748010.db2.gz XDRQBTSZCOKSGX-ZDUSSCGKSA-N 2 2 292.383 0.342 20 0 CCADLP C[N@H+]1CCN(C(=O)CCCOc2cccnc2)[C@@H](C[NH3+])C1 ZINC000162632392 350748013 /nfs/dbraw/zinc/74/80/13/350748013.db2.gz XDRQBTSZCOKSGX-ZDUSSCGKSA-N 2 2 292.383 0.342 20 0 CCADLP Cn1c[nH+]cc1CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000162363400 350742878 /nfs/dbraw/zinc/74/28/78/350742878.db2.gz RFOKBGULOCRSDP-AWEZNQCLSA-N 2 2 291.399 0.159 20 0 CCADLP Cn1c[nH+]cc1CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000162363400 350742880 /nfs/dbraw/zinc/74/28/80/350742880.db2.gz RFOKBGULOCRSDP-AWEZNQCLSA-N 2 2 291.399 0.159 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000164459873 350779045 /nfs/dbraw/zinc/77/90/45/350779045.db2.gz NUHPBAAVMOHQAU-LBPRGKRZSA-N 2 2 257.378 0.150 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(F)c2)CCO1 ZINC000164949714 350784955 /nfs/dbraw/zinc/78/49/55/350784955.db2.gz AXWRFKBHEBPTLC-CYBMUJFWSA-N 2 2 281.331 0.814 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(F)c2)CCO1 ZINC000164949714 350784957 /nfs/dbraw/zinc/78/49/57/350784957.db2.gz AXWRFKBHEBPTLC-CYBMUJFWSA-N 2 2 281.331 0.814 20 0 CCADLP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000164988790 350785991 /nfs/dbraw/zinc/78/59/91/350785991.db2.gz FLYBAARHDAEGOU-GHMZBOCLSA-N 2 2 257.403 0.640 20 0 CCADLP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000164988790 350785995 /nfs/dbraw/zinc/78/59/95/350785995.db2.gz FLYBAARHDAEGOU-GHMZBOCLSA-N 2 2 257.403 0.640 20 0 CCADLP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000168326031 350824222 /nfs/dbraw/zinc/82/42/22/350824222.db2.gz YIPCHRLMGIWYSA-CHWSQXEVSA-N 2 2 292.383 0.597 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)C2([NH3+])CC2)CC1 ZINC000169270346 350836778 /nfs/dbraw/zinc/83/67/78/350836778.db2.gz HUBIWZUCCSCICT-UHFFFAOYSA-N 2 2 255.362 0.047 20 0 CCADLP O=C(NCCC[NH+]1CCOCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000170250433 350843366 /nfs/dbraw/zinc/84/33/66/350843366.db2.gz VYGGWYYORLKAAN-CYBMUJFWSA-N 2 2 292.383 0.284 20 0 CCADLP CC[C@H](C)[N@H+](C)CCNC(=O)NCCn1cc[nH+]c1 ZINC000170740406 350856256 /nfs/dbraw/zinc/85/62/56/350856256.db2.gz QIZYQRYNVLRJMC-LBPRGKRZSA-N 2 2 267.377 0.913 20 0 CCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)NCCn1cc[nH+]c1 ZINC000170740406 350856258 /nfs/dbraw/zinc/85/62/58/350856258.db2.gz QIZYQRYNVLRJMC-LBPRGKRZSA-N 2 2 267.377 0.913 20 0 CCADLP Cc1cc(N2CC[C@H]([NH2+]Cc3c[nH+]cn3C)C2=O)n(C)n1 ZINC000174620806 351094894 /nfs/dbraw/zinc/09/48/94/351094894.db2.gz VWMKKNSIJGQJLY-LBPRGKRZSA-N 2 2 288.355 0.357 20 0 CCADLP O=C1NC[C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)CCN12 ZINC000175926669 351149754 /nfs/dbraw/zinc/14/97/54/351149754.db2.gz UQUVIBGXWDQIIL-ZDUSSCGKSA-N 2 2 298.350 0.477 20 0 CCADLP O=C1NC[C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)CCN12 ZINC000175926669 351149758 /nfs/dbraw/zinc/14/97/58/351149758.db2.gz UQUVIBGXWDQIIL-ZDUSSCGKSA-N 2 2 298.350 0.477 20 0 CCADLP C[NH+](C)[C@@H](C(=O)N1CC[NH+](CCO)CC1)c1ccccc1 ZINC000176388643 351172513 /nfs/dbraw/zinc/17/25/13/351172513.db2.gz SFNDNZJWVTWOQA-OAHLLOKOSA-N 2 2 291.395 0.426 20 0 CCADLP CO[C@@H](C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177113039 351194908 /nfs/dbraw/zinc/19/49/08/351194908.db2.gz JPTKBMMANWVMKG-NSHDSACASA-N 2 2 257.378 0.164 20 0 CCADLP COCCOCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000175738139 351141115 /nfs/dbraw/zinc/14/11/15/351141115.db2.gz FRTSQJHGQPIYOI-CQSZACIVSA-N 2 2 272.389 0.304 20 0 CCADLP COCCOCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000175738139 351141117 /nfs/dbraw/zinc/14/11/17/351141117.db2.gz FRTSQJHGQPIYOI-CQSZACIVSA-N 2 2 272.389 0.304 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)Cn1cccn1 ZINC000177342714 351200414 /nfs/dbraw/zinc/20/04/14/351200414.db2.gz RKKTVVJXVYDAMJ-QLFBSQMISA-N 2 2 278.400 0.803 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)Cn1cccn1 ZINC000177342714 351200416 /nfs/dbraw/zinc/20/04/16/351200416.db2.gz RKKTVVJXVYDAMJ-QLFBSQMISA-N 2 2 278.400 0.803 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)Cn1cccn1 ZINC000177342714 351200418 /nfs/dbraw/zinc/20/04/18/351200418.db2.gz RKKTVVJXVYDAMJ-QLFBSQMISA-N 2 2 278.400 0.803 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)Cn1cccn1 ZINC000177342714 351200422 /nfs/dbraw/zinc/20/04/22/351200422.db2.gz RKKTVVJXVYDAMJ-QLFBSQMISA-N 2 2 278.400 0.803 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)CCN1CCOCC1 ZINC000179255698 351261591 /nfs/dbraw/zinc/26/15/91/351261591.db2.gz XZTDKKWYOOXHIN-UHFFFAOYSA-N 2 2 252.362 0.537 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)CCN1CCOCC1 ZINC000179255698 351261593 /nfs/dbraw/zinc/26/15/93/351261593.db2.gz XZTDKKWYOOXHIN-UHFFFAOYSA-N 2 2 252.362 0.537 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000180654338 351290501 /nfs/dbraw/zinc/29/05/01/351290501.db2.gz PITBODWFERXWOC-UHFFFAOYSA-N 3 2 293.415 0.287 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000180654338 351290504 /nfs/dbraw/zinc/29/05/04/351290504.db2.gz PITBODWFERXWOC-UHFFFAOYSA-N 3 2 293.415 0.287 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCCC[C@@H]1O ZINC000181465297 351320760 /nfs/dbraw/zinc/32/07/60/351320760.db2.gz SKDXNJPSQPRRNC-KBPBESRZSA-N 2 2 283.416 0.243 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCCC[C@@H]1O ZINC000181465297 351320765 /nfs/dbraw/zinc/32/07/65/351320765.db2.gz SKDXNJPSQPRRNC-KBPBESRZSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@H](CS(C)(=O)=O)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000182310358 351357522 /nfs/dbraw/zinc/35/75/22/351357522.db2.gz KMURPGFTPDCMMF-LLVKDONJSA-N 2 2 281.381 0.900 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)CCC[NH+](C)C ZINC000185386150 351445515 /nfs/dbraw/zinc/44/55/15/351445515.db2.gz CJPOYTQCHQVMQM-ZDUSSCGKSA-N 2 2 286.420 0.300 20 0 CCADLP CCN1CC[N@H+](CCn2cc[nH+]c2)C(C)(C)C1=O ZINC000186542871 351502548 /nfs/dbraw/zinc/50/25/48/351502548.db2.gz QEGYLCCZCGFTBL-UHFFFAOYSA-N 2 2 250.346 0.826 20 0 CCADLP CCN1CC[N@@H+](CCn2cc[nH+]c2)C(C)(C)C1=O ZINC000186542871 351502551 /nfs/dbraw/zinc/50/25/51/351502551.db2.gz QEGYLCCZCGFTBL-UHFFFAOYSA-N 2 2 250.346 0.826 20 0 CCADLP CC[C@]1(C)CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000336507104 213382847 /nfs/dbraw/zinc/38/28/47/213382847.db2.gz FIIUFQOOAIYYGI-CQSZACIVSA-N 2 2 253.390 0.882 20 0 CCADLP CC[C@]1(C)CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000336507104 213382849 /nfs/dbraw/zinc/38/28/49/213382849.db2.gz FIIUFQOOAIYYGI-CQSZACIVSA-N 2 2 253.390 0.882 20 0 CCADLP C[C@@H](CNC(=O)c1c[nH+]ccc1N)Cn1cc[nH+]c1 ZINC000188108927 351574199 /nfs/dbraw/zinc/57/41/99/351574199.db2.gz KKQQYKHSXRUCMB-JTQLQIEISA-N 2 2 259.313 0.926 20 0 CCADLP C[C@H]1CC[C@H](C[NH+]2CCN(C(=O)C[NH+](C)C)CC2)O1 ZINC000190376711 351720355 /nfs/dbraw/zinc/72/03/55/351720355.db2.gz VWBPSADQJIJUHW-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCN1CC[NH+](CC(C)(C)O)CC1 ZINC000191477231 351759675 /nfs/dbraw/zinc/75/96/75/351759675.db2.gz QDIHBEFAYORWAV-CQSZACIVSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCN1CC[NH+](CC(C)(C)O)CC1 ZINC000191477231 351759679 /nfs/dbraw/zinc/75/96/79/351759679.db2.gz QDIHBEFAYORWAV-CQSZACIVSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000193681253 351840701 /nfs/dbraw/zinc/84/07/01/351840701.db2.gz CHRCKJBWIKJWNC-GXFFZTMASA-N 2 2 258.325 0.949 20 0 CCADLP CCOC(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000122955468 187062075 /nfs/dbraw/zinc/06/20/75/187062075.db2.gz ICRCPUPDXMZFSP-UHFFFAOYSA-N 2 2 257.378 0.119 20 0 CCADLP CCOC(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000122955468 187062076 /nfs/dbraw/zinc/06/20/76/187062076.db2.gz ICRCPUPDXMZFSP-UHFFFAOYSA-N 2 2 257.378 0.119 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124231508 187127145 /nfs/dbraw/zinc/12/71/45/187127145.db2.gz ZZDUOKFRHXUEIP-NSHDSACASA-N 2 2 293.371 0.582 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124231508 187127146 /nfs/dbraw/zinc/12/71/46/187127146.db2.gz ZZDUOKFRHXUEIP-NSHDSACASA-N 2 2 293.371 0.582 20 0 CCADLP C[C@@H]1C[C@H]([NH+](C)CCCS(=O)(=O)N(C)C)CC[N@@H+]1C ZINC000123266518 187081547 /nfs/dbraw/zinc/08/15/47/187081547.db2.gz GKOMUJSTZHRFKY-CHWSQXEVSA-N 2 2 291.461 0.682 20 0 CCADLP C[C@@H]1C[C@H]([NH+](C)CCCS(=O)(=O)N(C)C)CC[N@H+]1C ZINC000123266518 187081548 /nfs/dbraw/zinc/08/15/48/187081548.db2.gz GKOMUJSTZHRFKY-CHWSQXEVSA-N 2 2 291.461 0.682 20 0 CCADLP C[C@@H]1C[C@H]([N@H+](C)CCCS(=O)(=O)N(C)C)CC[NH+]1C ZINC000123266518 187081549 /nfs/dbraw/zinc/08/15/49/187081549.db2.gz GKOMUJSTZHRFKY-CHWSQXEVSA-N 2 2 291.461 0.682 20 0 CCADLP C[C@@H]1C[C@H]([N@@H+](C)CCCS(=O)(=O)N(C)C)CC[NH+]1C ZINC000123266518 187081550 /nfs/dbraw/zinc/08/15/50/187081550.db2.gz GKOMUJSTZHRFKY-CHWSQXEVSA-N 2 2 291.461 0.682 20 0 CCADLP C[C@H]1C[C@@H]([NH+](C)CCCS(=O)(=O)N(C)C)CC[N@@H+]1C ZINC000123267249 187081624 /nfs/dbraw/zinc/08/16/24/187081624.db2.gz GKOMUJSTZHRFKY-STQMWFEESA-N 2 2 291.461 0.682 20 0 CCADLP C[C@H]1C[C@@H]([NH+](C)CCCS(=O)(=O)N(C)C)CC[N@H+]1C ZINC000123267249 187081625 /nfs/dbraw/zinc/08/16/25/187081625.db2.gz GKOMUJSTZHRFKY-STQMWFEESA-N 2 2 291.461 0.682 20 0 CCADLP C[C@H]1C[C@@H]([N@H+](C)CCCS(=O)(=O)N(C)C)CC[NH+]1C ZINC000123267249 187081626 /nfs/dbraw/zinc/08/16/26/187081626.db2.gz GKOMUJSTZHRFKY-STQMWFEESA-N 2 2 291.461 0.682 20 0 CCADLP C[C@H]1C[C@@H]([N@@H+](C)CCCS(=O)(=O)N(C)C)CC[NH+]1C ZINC000123267249 187081627 /nfs/dbraw/zinc/08/16/27/187081627.db2.gz GKOMUJSTZHRFKY-STQMWFEESA-N 2 2 291.461 0.682 20 0 CCADLP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000195127687 351897564 /nfs/dbraw/zinc/89/75/64/351897564.db2.gz ZAUUPMFGYWLHAK-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C)[NH+]1CCOCC1 ZINC000195127687 351897567 /nfs/dbraw/zinc/89/75/67/351897567.db2.gz ZAUUPMFGYWLHAK-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H]([NH3+])C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000195146193 351898842 /nfs/dbraw/zinc/89/88/42/351898842.db2.gz DTCGDOUPALOFIX-LBPRGKRZSA-N 2 2 272.352 0.937 20 0 CCADLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COCc1ccco1 ZINC000226053340 352018612 /nfs/dbraw/zinc/01/86/12/352018612.db2.gz DOGNYFBWWVHQHI-QWHCGFSZSA-N 2 2 268.357 0.841 20 0 CCADLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COCc1ccco1 ZINC000226053340 352018615 /nfs/dbraw/zinc/01/86/15/352018615.db2.gz DOGNYFBWWVHQHI-QWHCGFSZSA-N 2 2 268.357 0.841 20 0 CCADLP CN(C)C(=O)C[NH+]1CCC([NH2+]C[C@H]2CCSC2)CC1 ZINC000226380309 352025110 /nfs/dbraw/zinc/02/51/10/352025110.db2.gz ABCDVMGRCZJJED-GFCCVEGCSA-N 2 2 285.457 0.882 20 0 CCADLP C[N@H+](CC(=O)NC(=O)NC1CC1)[C@H]1CCC[NH2+]CC1 ZINC000231670559 352131112 /nfs/dbraw/zinc/13/11/12/352131112.db2.gz HORJZTYPPUIJTK-NSHDSACASA-N 2 2 268.361 0.049 20 0 CCADLP C[N@@H+](CC(=O)NC(=O)NC1CC1)[C@H]1CCC[NH2+]CC1 ZINC000231670559 352131117 /nfs/dbraw/zinc/13/11/17/352131117.db2.gz HORJZTYPPUIJTK-NSHDSACASA-N 2 2 268.361 0.049 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+](C)[C@H]2CCC[NH2+]CC2)no1 ZINC000231668953 352131450 /nfs/dbraw/zinc/13/14/50/352131450.db2.gz LXNNZHFVAMLTAD-NSHDSACASA-N 2 2 266.345 0.995 20 0 CCADLP Cc1cc(NC(=O)C[N@H+](C)[C@H]2CCC[NH2+]CC2)no1 ZINC000231668953 352131451 /nfs/dbraw/zinc/13/14/51/352131451.db2.gz LXNNZHFVAMLTAD-NSHDSACASA-N 2 2 266.345 0.995 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000228722377 352083252 /nfs/dbraw/zinc/08/32/52/352083252.db2.gz CKXPSZBXFPSJFA-CQSZACIVSA-N 2 2 265.357 0.188 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000229090196 352087265 /nfs/dbraw/zinc/08/72/65/352087265.db2.gz CAYYABHRJABAHL-RYUDHWBXSA-N 2 2 284.404 0.529 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000229090196 352087266 /nfs/dbraw/zinc/08/72/66/352087266.db2.gz CAYYABHRJABAHL-RYUDHWBXSA-N 2 2 284.404 0.529 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N1CC(n2cc[nH+]c2)C1 ZINC000603915983 363170523 /nfs/dbraw/zinc/17/05/23/363170523.db2.gz CAACAIPNHXNKHV-UHFFFAOYSA-N 2 2 259.313 0.943 20 0 CCADLP C[NH+]1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000243811677 352307727 /nfs/dbraw/zinc/30/77/27/352307727.db2.gz QQVRRMSDHCKHMF-UHFFFAOYSA-N 2 2 263.345 0.065 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)CN1CCOCC1 ZINC000246087243 352347418 /nfs/dbraw/zinc/34/74/18/352347418.db2.gz GIPKVBYPKSJJFO-PMPSAXMXSA-N 2 2 297.443 0.238 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)CN1CCOCC1 ZINC000246087243 352347419 /nfs/dbraw/zinc/34/74/19/352347419.db2.gz GIPKVBYPKSJJFO-PMPSAXMXSA-N 2 2 297.443 0.238 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)CN1CCOCC1 ZINC000246087243 352347421 /nfs/dbraw/zinc/34/74/21/352347421.db2.gz GIPKVBYPKSJJFO-PMPSAXMXSA-N 2 2 297.443 0.238 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)CN1CCOCC1 ZINC000246087243 352347422 /nfs/dbraw/zinc/34/74/22/352347422.db2.gz GIPKVBYPKSJJFO-PMPSAXMXSA-N 2 2 297.443 0.238 20 0 CCADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NCC(=O)OC)C1 ZINC000246117103 352348907 /nfs/dbraw/zinc/34/89/07/352348907.db2.gz CRARNAYKWNUODT-CHWSQXEVSA-N 2 2 299.415 0.328 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NCC(=O)OC)C1 ZINC000246117103 352348910 /nfs/dbraw/zinc/34/89/10/352348910.db2.gz CRARNAYKWNUODT-CHWSQXEVSA-N 2 2 299.415 0.328 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)NCC(=O)OC)C1 ZINC000246117103 352348913 /nfs/dbraw/zinc/34/89/13/352348913.db2.gz CRARNAYKWNUODT-CHWSQXEVSA-N 2 2 299.415 0.328 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)NCC(=O)OC)C1 ZINC000246117103 352348915 /nfs/dbraw/zinc/34/89/15/352348915.db2.gz CRARNAYKWNUODT-CHWSQXEVSA-N 2 2 299.415 0.328 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000418286092 234053077 /nfs/dbraw/zinc/05/30/77/234053077.db2.gz XRJMZJOMOBUDID-YPMHNXCESA-N 2 2 279.388 0.779 20 0 CCADLP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655417221 412564450 /nfs/dbraw/zinc/56/44/50/412564450.db2.gz GMRCJOPHUDKHIY-VXGBXAGGSA-N 2 2 262.357 0.656 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)NC)C1 ZINC000246818982 352384358 /nfs/dbraw/zinc/38/43/58/352384358.db2.gz AGDMKVFIKJYGOV-VXGBXAGGSA-N 2 2 284.404 0.494 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)NC)C1 ZINC000246818982 352384360 /nfs/dbraw/zinc/38/43/60/352384360.db2.gz AGDMKVFIKJYGOV-VXGBXAGGSA-N 2 2 284.404 0.494 20 0 CCADLP CCOC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000247060746 352396445 /nfs/dbraw/zinc/39/64/45/352396445.db2.gz WCXRJUHMWJRPAK-UONOGXRCSA-N 2 2 272.389 0.038 20 0 CCADLP CCOC[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000247060746 352396448 /nfs/dbraw/zinc/39/64/48/352396448.db2.gz WCXRJUHMWJRPAK-UONOGXRCSA-N 2 2 272.389 0.038 20 0 CCADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(C)C2=O)C1 ZINC000248026567 352429961 /nfs/dbraw/zinc/42/99/61/352429961.db2.gz PFGDTZXWKAJWEE-RYUDHWBXSA-N 2 2 290.367 0.432 20 0 CCADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(C)C2=O)C1 ZINC000248026567 352429962 /nfs/dbraw/zinc/42/99/62/352429962.db2.gz PFGDTZXWKAJWEE-RYUDHWBXSA-N 2 2 290.367 0.432 20 0 CCADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NC[C@H]3CCCO3)CC[C@H]21 ZINC000248066071 352431211 /nfs/dbraw/zinc/43/12/11/352431211.db2.gz MGLNMODGNLILPC-RBSFLKMASA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NC[C@H]3CCCO3)CC[C@H]21 ZINC000248066071 352431217 /nfs/dbraw/zinc/43/12/17/352431217.db2.gz MGLNMODGNLILPC-RBSFLKMASA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NC[C@H]3CCCO3)CC[C@H]21 ZINC000248066071 352431222 /nfs/dbraw/zinc/43/12/22/352431222.db2.gz MGLNMODGNLILPC-RBSFLKMASA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NC[C@H]3CCCO3)CC[C@H]21 ZINC000248066071 352431225 /nfs/dbraw/zinc/43/12/25/352431225.db2.gz MGLNMODGNLILPC-RBSFLKMASA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@](O)(CO)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000684538505 545700667 /nfs/dbraw/zinc/70/06/67/545700667.db2.gz MXGTUJIPOGSKGA-LBPRGKRZSA-N 2 2 267.354 0.767 20 0 CCADLP CC[C@@H]1CN(C(=O)c2coc(C[NH3+])c2)CC[N@@H+]1C[C@H](C)O ZINC000249058358 352475379 /nfs/dbraw/zinc/47/53/79/352475379.db2.gz FVXWNYIOKMSCEU-WCQYABFASA-N 2 2 295.383 0.656 20 0 CCADLP CC[C@@H]1CN(C(=O)c2coc(C[NH3+])c2)CC[N@H+]1C[C@H](C)O ZINC000249058358 352475380 /nfs/dbraw/zinc/47/53/80/352475380.db2.gz FVXWNYIOKMSCEU-WCQYABFASA-N 2 2 295.383 0.656 20 0 CCADLP Cc1nc(C)c(CN2CC[N@@H+](C)C[C@H]2C[NH3+])s1 ZINC000250956096 352508961 /nfs/dbraw/zinc/50/89/61/352508961.db2.gz KYACREHSVCSWBD-LLVKDONJSA-N 2 2 254.403 0.835 20 0 CCADLP Cc1nc(C)c(CN2CC[N@H+](C)C[C@H]2C[NH3+])s1 ZINC000250956096 352508964 /nfs/dbraw/zinc/50/89/64/352508964.db2.gz KYACREHSVCSWBD-LLVKDONJSA-N 2 2 254.403 0.835 20 0 CCADLP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000252453792 352515056 /nfs/dbraw/zinc/51/50/56/352515056.db2.gz VGBQIEGPDVBGFO-XJFOESAGSA-N 2 2 265.401 0.642 20 0 CCADLP C[C@H]1CC[N@H+](CC2CC[NH2+]CC2)CCS1(=O)=O ZINC000261642660 352562485 /nfs/dbraw/zinc/56/24/85/352562485.db2.gz DKTQMBNFGYGVEF-NSHDSACASA-N 2 2 260.403 0.495 20 0 CCADLP C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)CCS1(=O)=O ZINC000261642660 352562488 /nfs/dbraw/zinc/56/24/88/352562488.db2.gz DKTQMBNFGYGVEF-NSHDSACASA-N 2 2 260.403 0.495 20 0 CCADLP CCn1nccc1C[N@H+](CCO)C[C@H]1CCC[NH2+]C1 ZINC000261755468 352563891 /nfs/dbraw/zinc/56/38/91/352563891.db2.gz CLYHTRCTJAUQDS-ZDUSSCGKSA-N 2 2 266.389 0.697 20 0 CCADLP CCn1nccc1C[N@@H+](CCO)C[C@H]1CCC[NH2+]C1 ZINC000261755468 352563892 /nfs/dbraw/zinc/56/38/92/352563892.db2.gz CLYHTRCTJAUQDS-ZDUSSCGKSA-N 2 2 266.389 0.697 20 0 CCADLP Cc1nc(N2CCN(C(=O)NC[C@H](C)C[NH3+])CC2)cc[nH+]1 ZINC000418471499 234129898 /nfs/dbraw/zinc/12/98/98/234129898.db2.gz MLQFQEJDENTHDQ-LLVKDONJSA-N 2 2 292.387 0.211 20 0 CCADLP C[NH+](C)CCN1C(=O)C[C@@H]([NH+]2CCC(F)(F)CC2)C1=O ZINC000684559476 545703562 /nfs/dbraw/zinc/70/35/62/545703562.db2.gz WYDWLUQQZXLYCL-SNVBAGLBSA-N 2 2 289.326 0.407 20 0 CCADLP CC[N@H+](CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC)C1CC1 ZINC000271157189 353027051 /nfs/dbraw/zinc/02/70/51/353027051.db2.gz REYOORHVBXEASE-LBPRGKRZSA-N 2 2 294.355 0.094 20 0 CCADLP CC[N@@H+](CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)OC)C1CC1 ZINC000271157189 353027054 /nfs/dbraw/zinc/02/70/54/353027054.db2.gz REYOORHVBXEASE-LBPRGKRZSA-N 2 2 294.355 0.094 20 0 CCADLP Cc1cc(C)c(CNC(=O)C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)c[nH+]1 ZINC000418889526 234253839 /nfs/dbraw/zinc/25/38/39/234253839.db2.gz QGHHEXBYNNJIQB-GWCFXTLKSA-N 2 2 290.367 0.120 20 0 CCADLP CCOC(=O)[C@](C)(O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000274242830 353114806 /nfs/dbraw/zinc/11/48/06/353114806.db2.gz WPRRPZASIRMFRY-CQSZACIVSA-N 2 2 281.356 0.903 20 0 CCADLP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1cc[nH+]c(N(C)C)n1 ZINC000419008928 234285304 /nfs/dbraw/zinc/28/53/04/234285304.db2.gz UXMGVKGFNCHYMA-NWDGAFQWSA-N 2 2 279.388 0.434 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1c1cc[nH+]c(N(C)C)n1 ZINC000419008928 234285307 /nfs/dbraw/zinc/28/53/07/234285307.db2.gz UXMGVKGFNCHYMA-NWDGAFQWSA-N 2 2 279.388 0.434 20 0 CCADLP OCCC[NH+]1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000277399136 353241157 /nfs/dbraw/zinc/24/11/57/353241157.db2.gz JREFZIGUHFZXHA-UHFFFAOYSA-N 2 2 291.399 0.581 20 0 CCADLP CC[N@@H+]1CCO[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC000604720892 363211250 /nfs/dbraw/zinc/21/12/50/363211250.db2.gz DMCJRJFEPQEEFJ-GFCCVEGCSA-N 2 2 266.345 0.110 20 0 CCADLP CC[N@H+]1CCO[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC000604720892 363211252 /nfs/dbraw/zinc/21/12/52/363211252.db2.gz DMCJRJFEPQEEFJ-GFCCVEGCSA-N 2 2 266.345 0.110 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CC[NH2+]C3CC3)C2)CC1 ZINC000655448835 412576373 /nfs/dbraw/zinc/57/63/73/412576373.db2.gz ZCKSTKNWAIQRCG-CQSZACIVSA-N 3 2 294.443 0.413 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CC[NH2+]C3CC3)C2)CC1 ZINC000655448835 412576377 /nfs/dbraw/zinc/57/63/77/412576377.db2.gz ZCKSTKNWAIQRCG-CQSZACIVSA-N 3 2 294.443 0.413 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000531663319 358477534 /nfs/dbraw/zinc/47/75/34/358477534.db2.gz FLMFKZNMMPOBEF-QLFBSQMISA-N 2 2 295.427 0.840 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000531663319 358477537 /nfs/dbraw/zinc/47/75/37/358477537.db2.gz FLMFKZNMMPOBEF-QLFBSQMISA-N 2 2 295.427 0.840 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655460144 412580438 /nfs/dbraw/zinc/58/04/38/412580438.db2.gz WJGCNPCHBSKHCQ-MNOVXSKESA-N 2 2 250.346 0.560 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cn[nH]c1 ZINC000284016621 353543258 /nfs/dbraw/zinc/54/32/58/353543258.db2.gz IONUWBHFSMYJKY-PWSUYJOCSA-N 2 2 265.361 0.400 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cn[nH]c1 ZINC000284016621 353543259 /nfs/dbraw/zinc/54/32/59/353543259.db2.gz IONUWBHFSMYJKY-PWSUYJOCSA-N 2 2 265.361 0.400 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cn[nH]c1 ZINC000284016617 353543440 /nfs/dbraw/zinc/54/34/40/353543440.db2.gz IONUWBHFSMYJKY-CMPLNLGQSA-N 2 2 265.361 0.400 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cn[nH]c1 ZINC000284016617 353543443 /nfs/dbraw/zinc/54/34/43/353543443.db2.gz IONUWBHFSMYJKY-CMPLNLGQSA-N 2 2 265.361 0.400 20 0 CCADLP CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)C1(C[NH3+])CCC1 ZINC000655465008 412582268 /nfs/dbraw/zinc/58/22/68/412582268.db2.gz OPIZRLJJXQWAER-NSHDSACASA-N 2 2 262.357 0.785 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)NCC[N@H+]2CC=CCC2)c1 ZINC000556764870 291004761 /nfs/dbraw/zinc/00/47/61/291004761.db2.gz SBGQGPYJYSECEV-UHFFFAOYSA-N 2 2 277.372 0.524 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)NCC[N@@H+]2CC=CCC2)c1 ZINC000556764870 291004765 /nfs/dbraw/zinc/00/47/65/291004765.db2.gz SBGQGPYJYSECEV-UHFFFAOYSA-N 2 2 277.372 0.524 20 0 CCADLP C[C@H](O)C[N@H+](CCO)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000289918969 353693835 /nfs/dbraw/zinc/69/38/35/353693835.db2.gz UFMRSQHPYKEVKG-LBPRGKRZSA-N 2 2 276.340 0.442 20 0 CCADLP C[C@H](O)C[N@@H+](CCO)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000289918969 353693837 /nfs/dbraw/zinc/69/38/37/353693837.db2.gz UFMRSQHPYKEVKG-LBPRGKRZSA-N 2 2 276.340 0.442 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000290132193 353710185 /nfs/dbraw/zinc/71/01/85/353710185.db2.gz VDTKRFQUIXQHMZ-UHFFFAOYSA-N 2 2 293.415 0.438 20 0 CCADLP C[C@H](O)CNc1cc(NCC[NH+]2CCOCC2)nc[nH+]1 ZINC000294135244 353871865 /nfs/dbraw/zinc/87/18/65/353871865.db2.gz ADMFZOLICJZQEX-NSHDSACASA-N 2 2 281.360 0.013 20 0 CCADLP C[C@@H](O)CNc1cc(N2CC[NH+](C3CC3)CC2)nc[nH+]1 ZINC000294563442 353889772 /nfs/dbraw/zinc/88/97/72/353889772.db2.gz XISLRJGJSRYZRF-LLVKDONJSA-N 2 2 277.372 0.554 20 0 CCADLP Cc1ccccc1[C@H]([NH3+])C(=O)N1CC[NH+](CCO)CC1 ZINC000295606396 353907751 /nfs/dbraw/zinc/90/77/51/353907751.db2.gz GAJAFCBLKYZYRW-AWEZNQCLSA-N 2 2 277.368 0.131 20 0 CCADLP C[C@@H](O)CNc1cc(NCC2=CC[N@H+](C)CC2)nc[nH+]1 ZINC000298942916 353979286 /nfs/dbraw/zinc/97/92/86/353979286.db2.gz PRGZBCCFZLLWOA-LLVKDONJSA-N 2 2 277.372 0.943 20 0 CCADLP C[C@@H](O)CNc1cc(NCC2=CC[N@@H+](C)CC2)nc[nH+]1 ZINC000298942916 353979288 /nfs/dbraw/zinc/97/92/88/353979288.db2.gz PRGZBCCFZLLWOA-LLVKDONJSA-N 2 2 277.372 0.943 20 0 CCADLP C[C@@H](O)CNc1cc(NCC2=CC[N@H+](C)CC2)[nH+]cn1 ZINC000298942916 353979290 /nfs/dbraw/zinc/97/92/90/353979290.db2.gz PRGZBCCFZLLWOA-LLVKDONJSA-N 2 2 277.372 0.943 20 0 CCADLP C[C@@H](O)CNc1cc(NCC2=CC[N@@H+](C)CC2)[nH+]cn1 ZINC000298942916 353979293 /nfs/dbraw/zinc/97/92/93/353979293.db2.gz PRGZBCCFZLLWOA-LLVKDONJSA-N 2 2 277.372 0.943 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000299371282 354012614 /nfs/dbraw/zinc/01/26/14/354012614.db2.gz MNDZQCREZBPPAL-RYUDHWBXSA-N 2 2 267.377 0.911 20 0 CCADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@@H](CO)C1 ZINC000606934395 363325234 /nfs/dbraw/zinc/32/52/34/363325234.db2.gz UHXGNWBFSZASKJ-CVEARBPZSA-N 2 2 278.396 0.794 20 0 CCADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@@H](CO)C1 ZINC000606934395 363325243 /nfs/dbraw/zinc/32/52/43/363325243.db2.gz UHXGNWBFSZASKJ-CVEARBPZSA-N 2 2 278.396 0.794 20 0 CCADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@@H](CO)C1 ZINC000606934395 363325250 /nfs/dbraw/zinc/32/52/50/363325250.db2.gz UHXGNWBFSZASKJ-CVEARBPZSA-N 2 2 278.396 0.794 20 0 CCADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@@H](CO)C1 ZINC000606934395 363325254 /nfs/dbraw/zinc/32/52/54/363325254.db2.gz UHXGNWBFSZASKJ-CVEARBPZSA-N 2 2 278.396 0.794 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)C[C@H]2CCC[C@@H]2O)CC1 ZINC000305276026 354142991 /nfs/dbraw/zinc/14/29/91/354142991.db2.gz AYZTZHMIWGIRQZ-ZNMIVQPWSA-N 2 2 297.443 0.632 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@H]2CCC[C@@H]2O)CC1 ZINC000305276026 354142992 /nfs/dbraw/zinc/14/29/92/354142992.db2.gz AYZTZHMIWGIRQZ-ZNMIVQPWSA-N 2 2 297.443 0.632 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(c2cc[nH+]c(N(C)C)n2)C[C@@H]1C ZINC000607145000 363339071 /nfs/dbraw/zinc/33/90/71/363339071.db2.gz NHXPGXISQARVAU-RYUDHWBXSA-N 2 2 279.388 0.434 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(c2cc[nH+]c(N(C)C)n2)C[C@@H]1C ZINC000607145000 363339076 /nfs/dbraw/zinc/33/90/76/363339076.db2.gz NHXPGXISQARVAU-RYUDHWBXSA-N 2 2 279.388 0.434 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](C(=O)OC)C1 ZINC000310747582 354191608 /nfs/dbraw/zinc/19/16/08/354191608.db2.gz JFJQHXNUSFQRFA-NWDGAFQWSA-N 2 2 258.362 0.184 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](C(=O)OC)C1 ZINC000310747582 354191609 /nfs/dbraw/zinc/19/16/09/354191609.db2.gz JFJQHXNUSFQRFA-NWDGAFQWSA-N 2 2 258.362 0.184 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)OC)C1 ZINC000310747582 354191610 /nfs/dbraw/zinc/19/16/10/354191610.db2.gz JFJQHXNUSFQRFA-NWDGAFQWSA-N 2 2 258.362 0.184 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](C(=O)OC)C1 ZINC000310747582 354191612 /nfs/dbraw/zinc/19/16/12/354191612.db2.gz JFJQHXNUSFQRFA-NWDGAFQWSA-N 2 2 258.362 0.184 20 0 CCADLP C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313341750 354212909 /nfs/dbraw/zinc/21/29/09/354212909.db2.gz FXVHCSWBFVRCEZ-ZIAGYGMSSA-N 2 2 283.416 0.827 20 0 CCADLP C[C@H](C(=O)N1CCCCCC1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313341750 354212913 /nfs/dbraw/zinc/21/29/13/354212913.db2.gz FXVHCSWBFVRCEZ-ZIAGYGMSSA-N 2 2 283.416 0.827 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CC=CCC2)[C@@H](C[NH3+])C1 ZINC000557167129 291024005 /nfs/dbraw/zinc/02/40/05/291024005.db2.gz HTTJCXMLRMPDCU-NEPJUHHUSA-N 2 2 252.362 0.379 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CC=CCC2)[C@@H](C[NH3+])C1 ZINC000557167129 291024009 /nfs/dbraw/zinc/02/40/09/291024009.db2.gz HTTJCXMLRMPDCU-NEPJUHHUSA-N 2 2 252.362 0.379 20 0 CCADLP O=c1ccccn1CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000607751637 363366144 /nfs/dbraw/zinc/36/61/44/363366144.db2.gz MUYYJDLVRIOTFX-HNNXBMFYSA-N 2 2 291.395 0.502 20 0 CCADLP O=c1ccccn1CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000607751637 363366147 /nfs/dbraw/zinc/36/61/47/363366147.db2.gz MUYYJDLVRIOTFX-HNNXBMFYSA-N 2 2 291.395 0.502 20 0 CCADLP Cc1nc(NC2CC[NH+](CC3CC3)CC2)nc(N(C)C)[nH+]1 ZINC000330181335 354304630 /nfs/dbraw/zinc/30/46/30/354304630.db2.gz GRHWSBNJUGATAU-UHFFFAOYSA-N 2 2 290.415 0.954 20 0 CCADLP Cc1nc(N(C)C)nc(NC2CC[NH+](CC3CC3)CC2)[nH+]1 ZINC000330181335 354304634 /nfs/dbraw/zinc/30/46/34/354304634.db2.gz GRHWSBNJUGATAU-UHFFFAOYSA-N 2 2 290.415 0.954 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)N[C@H](C)Cn2cc[nH+]c2)[N@H+](C)C1 ZINC000330508685 354385840 /nfs/dbraw/zinc/38/58/40/354385840.db2.gz ASLLTPFMQOXIEY-WOPDTQHZSA-N 2 2 266.345 0.107 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)N[C@H](C)Cn2cc[nH+]c2)[N@@H+](C)C1 ZINC000330508685 354385846 /nfs/dbraw/zinc/38/58/46/354385846.db2.gz ASLLTPFMQOXIEY-WOPDTQHZSA-N 2 2 266.345 0.107 20 0 CCADLP COC(=O)[C@](C)(O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000331202642 354490109 /nfs/dbraw/zinc/49/01/09/354490109.db2.gz WGCWCYQFICLPSV-MBNYWOFBSA-N 2 2 281.356 0.690 20 0 CCADLP COC(=O)[C@](C)(O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000331202642 354490112 /nfs/dbraw/zinc/49/01/12/354490112.db2.gz WGCWCYQFICLPSV-MBNYWOFBSA-N 2 2 281.356 0.690 20 0 CCADLP CCOC[C@H](O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000331276777 354514898 /nfs/dbraw/zinc/51/48/98/354514898.db2.gz CVHIWJYPPILIRQ-GFCCVEGCSA-N 2 2 253.346 0.987 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCC[NH2+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488911 412592986 /nfs/dbraw/zinc/59/29/86/412592986.db2.gz IOGUCATXDLAXGN-WUHRBBMRSA-N 2 2 269.389 0.352 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCC[NH2+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488911 412592990 /nfs/dbraw/zinc/59/29/90/412592990.db2.gz IOGUCATXDLAXGN-WUHRBBMRSA-N 2 2 269.389 0.352 20 0 CCADLP C[C@@H](CNC(=O)C[NH2+]CC1CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488940 412593661 /nfs/dbraw/zinc/59/36/61/412593661.db2.gz JJRKBVKEDPBFMI-RWMBFGLXSA-N 2 2 283.416 0.600 20 0 CCADLP C[C@@H](CNC(=O)C[NH2+]CC1CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488940 412593665 /nfs/dbraw/zinc/59/36/65/412593665.db2.gz JJRKBVKEDPBFMI-RWMBFGLXSA-N 2 2 283.416 0.600 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCc1[nH]cc[nH+]1 ZINC000332292818 354641412 /nfs/dbraw/zinc/64/14/12/354641412.db2.gz HVURXFWGSBLBNT-GHMZBOCLSA-N 2 2 250.346 0.941 20 0 CCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)NCC2([NH3+])CCC2)CC1 ZINC000332493055 354686538 /nfs/dbraw/zinc/68/65/38/354686538.db2.gz SOQMLLQLUCOXHW-UHFFFAOYSA-N 2 2 297.403 0.509 20 0 CCADLP CO[C@@H]1C[C@@H](CO)[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000332697508 354723527 /nfs/dbraw/zinc/72/35/27/354723527.db2.gz WDYPFDXNBRHXEO-CMPLNLGQSA-N 2 2 268.361 0.068 20 0 CCADLP CO[C@@H]1C[C@@H](CO)[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000332697508 354723529 /nfs/dbraw/zinc/72/35/29/354723529.db2.gz WDYPFDXNBRHXEO-CMPLNLGQSA-N 2 2 268.361 0.068 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000557613390 291037802 /nfs/dbraw/zinc/03/78/02/291037802.db2.gz DLDMRZRPMQVLEH-NSHDSACASA-N 2 2 279.388 0.444 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000557613390 291037806 /nfs/dbraw/zinc/03/78/06/291037806.db2.gz DLDMRZRPMQVLEH-NSHDSACASA-N 2 2 279.388 0.444 20 0 CCADLP c1nc(N2CCCC2)cc(NC[C@@H]2C[NH2+]CCCO2)[nH+]1 ZINC000333626052 354765870 /nfs/dbraw/zinc/76/58/70/354765870.db2.gz FVYFYDBDBGXPAW-LBPRGKRZSA-N 2 2 277.372 0.867 20 0 CCADLP c1nc(NC[C@@H]2C[NH2+]CCCO2)cc(N2CCCC2)[nH+]1 ZINC000333626052 354765871 /nfs/dbraw/zinc/76/58/71/354765871.db2.gz FVYFYDBDBGXPAW-LBPRGKRZSA-N 2 2 277.372 0.867 20 0 CCADLP Cn1cc[nH+]c1N1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000557644931 291039974 /nfs/dbraw/zinc/03/99/74/291039974.db2.gz FCZZVMDZCPNASY-UHFFFAOYSA-N 2 2 291.399 0.411 20 0 CCADLP [NH3+]C1(CNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CCC1 ZINC000333630951 354766690 /nfs/dbraw/zinc/76/66/90/354766690.db2.gz GPYNJQMOMBIOEP-TXEJJXNPSA-N 2 2 282.388 0.030 20 0 CCADLP [NH3+]C1(CNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCC1 ZINC000333630951 354766692 /nfs/dbraw/zinc/76/66/92/354766692.db2.gz GPYNJQMOMBIOEP-TXEJJXNPSA-N 2 2 282.388 0.030 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC000333705825 354780344 /nfs/dbraw/zinc/78/03/44/354780344.db2.gz RNMPNLMUBDKDBJ-HKUMRIAESA-N 2 2 269.389 0.258 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NC[C@H]1CCCO1 ZINC000333719187 354781828 /nfs/dbraw/zinc/78/18/28/354781828.db2.gz UGPBGZXQBYAZIZ-HIFRSBDPSA-N 2 2 281.400 0.357 20 0 CCADLP O=C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NC[C@H]1CCCO1 ZINC000333719187 354781835 /nfs/dbraw/zinc/78/18/35/354781835.db2.gz UGPBGZXQBYAZIZ-HIFRSBDPSA-N 2 2 281.400 0.357 20 0 CCADLP O=C(N[C@@H]1CCC[NH2+]C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000333735171 354785755 /nfs/dbraw/zinc/78/57/55/354785755.db2.gz WUTLLMVACHKXDK-KGLIPLIRSA-N 2 2 296.415 0.245 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000333849043 354804906 /nfs/dbraw/zinc/80/49/06/354804906.db2.gz PQLBDUVRJMMYGW-FQUUOJAGSA-N 2 2 296.415 0.147 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000333849043 354804911 /nfs/dbraw/zinc/80/49/11/354804911.db2.gz PQLBDUVRJMMYGW-FQUUOJAGSA-N 2 2 296.415 0.147 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCOc1ncccc1F ZINC000422990850 234912090 /nfs/dbraw/zinc/91/20/90/234912090.db2.gz ACEIHZJQIUHNTR-VXGBXAGGSA-N 2 2 283.347 0.956 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000334044202 354841769 /nfs/dbraw/zinc/84/17/69/354841769.db2.gz DMIDIURDOGTDFJ-NEPJUHHUSA-N 2 2 284.404 0.637 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000334044202 354841773 /nfs/dbraw/zinc/84/17/73/354841773.db2.gz DMIDIURDOGTDFJ-NEPJUHHUSA-N 2 2 284.404 0.637 20 0 CCADLP CCNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000334044202 354841776 /nfs/dbraw/zinc/84/17/76/354841776.db2.gz DMIDIURDOGTDFJ-NEPJUHHUSA-N 2 2 284.404 0.637 20 0 CCADLP CCNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000334044202 354841781 /nfs/dbraw/zinc/84/17/81/354841781.db2.gz DMIDIURDOGTDFJ-NEPJUHHUSA-N 2 2 284.404 0.637 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000423527795 235000286 /nfs/dbraw/zinc/00/02/86/235000286.db2.gz MTRGGRUXHPUREB-NWANDNLSSA-N 2 2 295.427 0.683 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000423527795 235000291 /nfs/dbraw/zinc/00/02/91/235000291.db2.gz MTRGGRUXHPUREB-NWANDNLSSA-N 2 2 295.427 0.683 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000081570445 283062438 /nfs/dbraw/zinc/06/24/38/283062438.db2.gz PMQALTQTQRTVJI-QWRGUYRKSA-N 2 2 270.377 0.234 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000081570445 283062441 /nfs/dbraw/zinc/06/24/41/283062441.db2.gz PMQALTQTQRTVJI-QWRGUYRKSA-N 2 2 270.377 0.234 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000081570445 283062443 /nfs/dbraw/zinc/06/24/43/283062443.db2.gz PMQALTQTQRTVJI-QWRGUYRKSA-N 2 2 270.377 0.234 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000081570445 283062444 /nfs/dbraw/zinc/06/24/44/283062444.db2.gz PMQALTQTQRTVJI-QWRGUYRKSA-N 2 2 270.377 0.234 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000423529792 283059679 /nfs/dbraw/zinc/05/96/79/283059679.db2.gz YFFVMFJWNXSZPE-LXTVHRRPSA-N 3 2 266.433 0.352 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000423529792 283059681 /nfs/dbraw/zinc/05/96/81/283059681.db2.gz YFFVMFJWNXSZPE-LXTVHRRPSA-N 3 2 266.433 0.352 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)N3CC[C@H]([NH3+])C3)cn21 ZINC000335193271 354982851 /nfs/dbraw/zinc/98/28/51/354982851.db2.gz JGUHHLUWIFTUFL-NSHDSACASA-N 2 2 273.340 0.885 20 0 CCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000335859343 355029826 /nfs/dbraw/zinc/02/98/26/355029826.db2.gz YAQWFMKMMXIUTF-GHMZBOCLSA-N 2 2 250.346 0.893 20 0 CCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000335859343 355029829 /nfs/dbraw/zinc/02/98/29/355029829.db2.gz YAQWFMKMMXIUTF-GHMZBOCLSA-N 2 2 250.346 0.893 20 0 CCADLP Cc1nc(N2CCN(C(=O)C3([NH3+])CCC3)CC2)cc[nH+]1 ZINC000423785008 235079727 /nfs/dbraw/zinc/07/97/27/235079727.db2.gz QXCBSVOTONXXNT-UHFFFAOYSA-N 2 2 275.356 0.315 20 0 CCADLP C[C@@H](C(=O)N(C)[C@H]1C[NH+]2CCC1CC2)[NH+]1CCSCC1 ZINC000335833746 355023900 /nfs/dbraw/zinc/02/39/00/355023900.db2.gz FKWMKFPSUNDWCB-JSGCOSHPSA-N 2 2 297.468 0.976 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000423862717 235098543 /nfs/dbraw/zinc/09/85/43/235098543.db2.gz GNUIERFBNZNEFU-SGMGOOAPSA-N 2 2 283.416 0.539 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000423862717 235098546 /nfs/dbraw/zinc/09/85/46/235098546.db2.gz GNUIERFBNZNEFU-SGMGOOAPSA-N 2 2 283.416 0.539 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)[C@@H](C)C1 ZINC000335952998 355057158 /nfs/dbraw/zinc/05/71/58/355057158.db2.gz WZLGDSOYQQURAH-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)[C@@H](C)C1 ZINC000335952998 355057160 /nfs/dbraw/zinc/05/71/60/355057160.db2.gz WZLGDSOYQQURAH-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H](C)C1 ZINC000335952996 355057388 /nfs/dbraw/zinc/05/73/88/355057388.db2.gz WZLGDSOYQQURAH-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H](C)C1 ZINC000335952996 355057391 /nfs/dbraw/zinc/05/73/91/355057391.db2.gz WZLGDSOYQQURAH-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000424132245 235159545 /nfs/dbraw/zinc/15/95/45/235159545.db2.gz HJOIQCJSKQZZBJ-SOUVJXGZSA-N 2 2 289.379 0.351 20 0 CCADLP [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000424132245 235159546 /nfs/dbraw/zinc/15/95/46/235159546.db2.gz HJOIQCJSKQZZBJ-SOUVJXGZSA-N 2 2 289.379 0.351 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H](N2CCCC2=O)C1)C1CC1 ZINC000336839154 355210406 /nfs/dbraw/zinc/21/04/06/355210406.db2.gz OBGPBRODVUJJGE-KGLIPLIRSA-N 2 2 281.400 0.138 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H](N2CCCC2=O)C1)C1CC1 ZINC000336839154 355210409 /nfs/dbraw/zinc/21/04/09/355210409.db2.gz OBGPBRODVUJJGE-KGLIPLIRSA-N 2 2 281.400 0.138 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H](N2CCCC2=O)C1)C1CC1 ZINC000336839154 355210413 /nfs/dbraw/zinc/21/04/13/355210413.db2.gz OBGPBRODVUJJGE-KGLIPLIRSA-N 2 2 281.400 0.138 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H](N2CCCC2=O)C1)C1CC1 ZINC000336839154 355210414 /nfs/dbraw/zinc/21/04/14/355210414.db2.gz OBGPBRODVUJJGE-KGLIPLIRSA-N 2 2 281.400 0.138 20 0 CCADLP COCCOC1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000336841734 355211552 /nfs/dbraw/zinc/21/15/52/355211552.db2.gz SFPFFSWEKHEOAV-AWEZNQCLSA-N 2 2 286.416 0.569 20 0 CCADLP COCCOC1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000336841734 355211554 /nfs/dbraw/zinc/21/15/54/355211554.db2.gz SFPFFSWEKHEOAV-AWEZNQCLSA-N 2 2 286.416 0.569 20 0 CCADLP COC1(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CC[NH2+]CC1 ZINC000424180905 235171596 /nfs/dbraw/zinc/17/15/96/235171596.db2.gz WROOSIURFGJCHM-JTQLQIEISA-N 2 2 291.342 0.116 20 0 CCADLP CS[C@@H]1CN(CCC[NH+]2CCOCC2)C[C@@H]1[NH+](C)C ZINC000336803799 355179698 /nfs/dbraw/zinc/17/96/98/355179698.db2.gz ZUWGWUKRYPDUGE-UONOGXRCSA-N 2 2 287.473 0.686 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+](CC[C@H](C)O)CC2)c1 ZINC000336805032 355181815 /nfs/dbraw/zinc/18/18/15/355181815.db2.gz QVUORLZVVZTEDK-LBPRGKRZSA-N 2 2 265.357 0.983 20 0 CCADLP COCC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000336893967 355221385 /nfs/dbraw/zinc/22/13/85/355221385.db2.gz LIQGYNZJBSDKED-HZSPNIEDSA-N 2 2 255.406 0.637 20 0 CCADLP COCC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000336893967 355221387 /nfs/dbraw/zinc/22/13/87/355221387.db2.gz LIQGYNZJBSDKED-HZSPNIEDSA-N 2 2 255.406 0.637 20 0 CCADLP COCC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000336893967 355221390 /nfs/dbraw/zinc/22/13/90/355221390.db2.gz LIQGYNZJBSDKED-HZSPNIEDSA-N 2 2 255.406 0.637 20 0 CCADLP COCC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000336893967 355221395 /nfs/dbraw/zinc/22/13/95/355221395.db2.gz LIQGYNZJBSDKED-HZSPNIEDSA-N 2 2 255.406 0.637 20 0 CCADLP COCC[C@H](C)[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424298005 235195932 /nfs/dbraw/zinc/19/59/32/235195932.db2.gz RSWJXMNOSIMDFQ-WCFLWFBJSA-N 2 2 252.362 0.572 20 0 CCADLP COCC[C@H](C)[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424298005 235195934 /nfs/dbraw/zinc/19/59/34/235195934.db2.gz RSWJXMNOSIMDFQ-WCFLWFBJSA-N 2 2 252.362 0.572 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)N(C)Cc1[nH+]ccn1C ZINC000271803760 191337601 /nfs/dbraw/zinc/33/76/01/191337601.db2.gz PQNHWZBBNCDBGJ-LLVKDONJSA-N 2 2 267.377 0.902 20 0 CCADLP [NH3+][C@@H](CC(F)F)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000336850860 355218727 /nfs/dbraw/zinc/21/87/27/355218727.db2.gz ZUXDXRNLNUJCGD-LBPRGKRZSA-N 2 2 298.337 0.708 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424453188 235206650 /nfs/dbraw/zinc/20/66/50/235206650.db2.gz KCDAEOUZRATNJX-JHJVBQTASA-N 2 2 284.404 0.276 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424453188 235206653 /nfs/dbraw/zinc/20/66/53/235206653.db2.gz KCDAEOUZRATNJX-JHJVBQTASA-N 2 2 284.404 0.276 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000338337539 355324932 /nfs/dbraw/zinc/32/49/32/355324932.db2.gz UXYMCSRVYJSILV-UHFFFAOYSA-N 2 2 267.398 0.954 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000338839775 355434954 /nfs/dbraw/zinc/43/49/54/355434954.db2.gz BJBCBIXKXUOCCA-ZDUSSCGKSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000338839775 355434956 /nfs/dbraw/zinc/43/49/56/355434956.db2.gz BJBCBIXKXUOCCA-ZDUSSCGKSA-N 2 2 295.427 0.698 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000339169939 355499122 /nfs/dbraw/zinc/49/91/22/355499122.db2.gz KLPQGLXDTSREJM-GXTWGEPZSA-N 2 2 276.384 0.905 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000339169939 355499126 /nfs/dbraw/zinc/49/91/26/355499126.db2.gz KLPQGLXDTSREJM-GXTWGEPZSA-N 2 2 276.384 0.905 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000341710642 355719726 /nfs/dbraw/zinc/71/97/26/355719726.db2.gz NMIPHUYNOSLOHN-QWHCGFSZSA-N 2 2 291.461 0.035 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)[NH+]1CCOCC1 ZINC000341713095 355720772 /nfs/dbraw/zinc/72/07/72/355720772.db2.gz YYYXXTKXXZEBGI-JHJVBQTASA-N 2 2 269.389 0.021 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)[NH+]1CCOCC1 ZINC000341713095 355720778 /nfs/dbraw/zinc/72/07/78/355720778.db2.gz YYYXXTKXXZEBGI-JHJVBQTASA-N 2 2 269.389 0.021 20 0 CCADLP Cc1c[nH+]c(CN2CCC([N@H+](C)CCO)CC2)n1C ZINC000342783519 355745607 /nfs/dbraw/zinc/74/56/07/355745607.db2.gz PYNLZMOUWXLANC-UHFFFAOYSA-N 2 2 266.389 0.617 20 0 CCADLP Cc1c[nH+]c(CN2CCC([N@@H+](C)CCO)CC2)n1C ZINC000342783519 355745609 /nfs/dbraw/zinc/74/56/09/355745609.db2.gz PYNLZMOUWXLANC-UHFFFAOYSA-N 2 2 266.389 0.617 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000342396630 355729831 /nfs/dbraw/zinc/72/98/31/355729831.db2.gz MKLWPFRHMJQSJP-ZDUSSCGKSA-N 2 2 296.459 0.611 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000342396630 355729834 /nfs/dbraw/zinc/72/98/34/355729834.db2.gz MKLWPFRHMJQSJP-ZDUSSCGKSA-N 2 2 296.459 0.611 20 0 CCADLP C[C@@H](C(=O)NC1CC1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000342396630 355729839 /nfs/dbraw/zinc/72/98/39/355729839.db2.gz MKLWPFRHMJQSJP-ZDUSSCGKSA-N 2 2 296.459 0.611 20 0 CCADLP C[C@@H](C(=O)NC1CC1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000342396630 355729844 /nfs/dbraw/zinc/72/98/44/355729844.db2.gz MKLWPFRHMJQSJP-ZDUSSCGKSA-N 2 2 296.459 0.611 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@H]2CCC[NH+]2C)C[C@H](C)O1 ZINC000345406222 355818721 /nfs/dbraw/zinc/81/87/21/355818721.db2.gz HCVNUPPMMOITGP-MJBXVCDLSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@H]2CCC[NH+]2C)C[C@H](C)O1 ZINC000345406222 355818725 /nfs/dbraw/zinc/81/87/25/355818725.db2.gz HCVNUPPMMOITGP-MJBXVCDLSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@@H]1C[NH+](CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H](C)O1 ZINC000345406222 355818730 /nfs/dbraw/zinc/81/87/30/355818730.db2.gz HCVNUPPMMOITGP-MJBXVCDLSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@@H]1C[NH+](CCN(C)C(=O)[C@@H]2CCC[N@H+]2C)C[C@H](C)O1 ZINC000345406222 355818734 /nfs/dbraw/zinc/81/87/34/355818734.db2.gz HCVNUPPMMOITGP-MJBXVCDLSA-N 2 2 283.416 0.648 20 0 CCADLP COc1cc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c(F)cn1 ZINC000348313816 355911487 /nfs/dbraw/zinc/91/14/87/355911487.db2.gz RSHPPJACQUQBGA-YGRLFVJLSA-N 2 2 283.347 0.947 20 0 CCADLP COc1cc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c(F)cn1 ZINC000348313816 355911492 /nfs/dbraw/zinc/91/14/92/355911492.db2.gz RSHPPJACQUQBGA-YGRLFVJLSA-N 2 2 283.347 0.947 20 0 CCADLP CC[N@H+](CCNC(=O)NC[C@@H]1CN(C)CC[NH+]1C)C(C)C ZINC000348386402 355923448 /nfs/dbraw/zinc/92/34/48/355923448.db2.gz VOZSSNYWPATQJK-CQSZACIVSA-N 2 2 299.463 0.262 20 0 CCADLP CC[N@@H+](CCNC(=O)NC[C@@H]1CN(C)CC[NH+]1C)C(C)C ZINC000348386402 355923453 /nfs/dbraw/zinc/92/34/53/355923453.db2.gz VOZSSNYWPATQJK-CQSZACIVSA-N 2 2 299.463 0.262 20 0 CCADLP CC[NH+](CCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)C(C)C ZINC000348386402 355923457 /nfs/dbraw/zinc/92/34/57/355923457.db2.gz VOZSSNYWPATQJK-CQSZACIVSA-N 2 2 299.463 0.262 20 0 CCADLP CC[NH+](CCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)C(C)C ZINC000348386402 355923460 /nfs/dbraw/zinc/92/34/60/355923460.db2.gz VOZSSNYWPATQJK-CQSZACIVSA-N 2 2 299.463 0.262 20 0 CCADLP COCC[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000347336181 355878830 /nfs/dbraw/zinc/87/88/30/355878830.db2.gz ACYGHFXDJXSFBB-RYUDHWBXSA-N 2 2 257.378 0.341 20 0 CCADLP COCC[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000347336181 355878835 /nfs/dbraw/zinc/87/88/35/355878835.db2.gz ACYGHFXDJXSFBB-RYUDHWBXSA-N 2 2 257.378 0.341 20 0 CCADLP COc1c(O)cccc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352692341 356056199 /nfs/dbraw/zinc/05/61/99/356056199.db2.gz FKZFGAJIVSLEAI-AWEZNQCLSA-N 2 2 291.395 0.880 20 0 CCADLP Cc1c[nH]nc1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000352861695 356098388 /nfs/dbraw/zinc/09/83/88/356098388.db2.gz JRXJHANMVLVJFW-UHFFFAOYSA-N 2 2 265.405 0.834 20 0 CCADLP Cc1c[nH]nc1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000352861695 356098394 /nfs/dbraw/zinc/09/83/94/356098394.db2.gz JRXJHANMVLVJFW-UHFFFAOYSA-N 2 2 265.405 0.834 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000353424482 356218472 /nfs/dbraw/zinc/21/84/72/356218472.db2.gz HHYHSSZBHSOWPV-ZJUUUORDSA-N 2 2 252.318 0.089 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000353433120 356221222 /nfs/dbraw/zinc/22/12/22/356221222.db2.gz TZTWNHOAIQKESP-ILXRZTDVSA-N 2 2 296.459 0.373 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000353667172 356269309 /nfs/dbraw/zinc/26/93/09/356269309.db2.gz GIUSGQSFOHKHNL-LBPRGKRZSA-N 2 2 265.361 0.037 20 0 CCADLP COc1coc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1=O ZINC000360569614 138001120 /nfs/dbraw/zinc/00/11/20/138001120.db2.gz NXMILRJPVSMFSA-AWEZNQCLSA-N 2 2 264.325 0.834 20 0 CCADLP COc1coc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1=O ZINC000360569614 138001121 /nfs/dbraw/zinc/00/11/21/138001121.db2.gz NXMILRJPVSMFSA-AWEZNQCLSA-N 2 2 264.325 0.834 20 0 CCADLP CSCC[C@H]([NH3+])C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000353504335 356240223 /nfs/dbraw/zinc/24/02/23/356240223.db2.gz ZHUZUENTLRKMJD-LBPRGKRZSA-N 2 2 296.440 0.959 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CCC(O)CC1 ZINC000353519075 356244273 /nfs/dbraw/zinc/24/42/73/356244273.db2.gz MAEMVUHQPQIBPD-BPCQOVAHSA-N 2 2 269.389 0.219 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C1CCC(O)CC1 ZINC000353519075 356244274 /nfs/dbraw/zinc/24/42/74/356244274.db2.gz MAEMVUHQPQIBPD-BPCQOVAHSA-N 2 2 269.389 0.219 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000353760547 356287943 /nfs/dbraw/zinc/28/79/43/356287943.db2.gz IWTLJGCCOPMOAG-RYUDHWBXSA-N 2 2 278.356 0.207 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000353760547 356287945 /nfs/dbraw/zinc/28/79/45/356287945.db2.gz IWTLJGCCOPMOAG-RYUDHWBXSA-N 2 2 278.356 0.207 20 0 CCADLP [NH3+]C1(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCOCC1 ZINC000353761474 356288728 /nfs/dbraw/zinc/28/87/28/356288728.db2.gz UOGCTHAKMXBXPY-LBPRGKRZSA-N 2 2 290.367 0.284 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000353815490 356299338 /nfs/dbraw/zinc/29/93/38/356299338.db2.gz MNHUXAUAROPDOM-KFWWJZLASA-N 2 2 295.427 0.600 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000353815490 356299343 /nfs/dbraw/zinc/29/93/43/356299343.db2.gz MNHUXAUAROPDOM-KFWWJZLASA-N 2 2 295.427 0.600 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C)C[C@H]2C(C)C)C1 ZINC000353905728 356313468 /nfs/dbraw/zinc/31/34/68/356313468.db2.gz CBNNOMVPHGXLPL-UONOGXRCSA-N 2 2 283.416 0.506 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](C)C[C@H]2C(C)C)C1 ZINC000353905728 356313471 /nfs/dbraw/zinc/31/34/71/356313471.db2.gz CBNNOMVPHGXLPL-UONOGXRCSA-N 2 2 283.416 0.506 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)C1 ZINC000353905728 356313474 /nfs/dbraw/zinc/31/34/74/356313474.db2.gz CBNNOMVPHGXLPL-UONOGXRCSA-N 2 2 283.416 0.506 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)C1 ZINC000353905728 356313477 /nfs/dbraw/zinc/31/34/77/356313477.db2.gz CBNNOMVPHGXLPL-UONOGXRCSA-N 2 2 283.416 0.506 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)CC[NH+]2CCCOCC2)C[C@H](C)O1 ZINC000361388934 138034444 /nfs/dbraw/zinc/03/44/44/138034444.db2.gz AKAFLKZGSLVQCJ-IYBDPMFKSA-N 2 2 299.459 0.750 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)CC[NH+]2CCCOCC2)C[C@H](C)O1 ZINC000361388934 138034445 /nfs/dbraw/zinc/03/44/45/138034445.db2.gz AKAFLKZGSLVQCJ-IYBDPMFKSA-N 2 2 299.459 0.750 20 0 CCADLP C[C@@H]1C[NH+](CCN(C)CC[N@@H+]2CCCOCC2)C[C@H](C)O1 ZINC000361388934 138034446 /nfs/dbraw/zinc/03/44/46/138034446.db2.gz AKAFLKZGSLVQCJ-IYBDPMFKSA-N 2 2 299.459 0.750 20 0 CCADLP C[C@@H]1C[NH+](CCN(C)CC[N@H+]2CCCOCC2)C[C@H](C)O1 ZINC000361388934 138034447 /nfs/dbraw/zinc/03/44/47/138034447.db2.gz AKAFLKZGSLVQCJ-IYBDPMFKSA-N 2 2 299.459 0.750 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+](CCNS(C)(=O)=O)C1CC1 ZINC000361390462 138034462 /nfs/dbraw/zinc/03/44/62/138034462.db2.gz MGXJWLHTYJLBKW-GFCCVEGCSA-N 2 2 289.445 0.484 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+](CCNS(C)(=O)=O)C1CC1 ZINC000361390462 138034463 /nfs/dbraw/zinc/03/44/63/138034463.db2.gz MGXJWLHTYJLBKW-GFCCVEGCSA-N 2 2 289.445 0.484 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C1CC1 ZINC000361390462 138034464 /nfs/dbraw/zinc/03/44/64/138034464.db2.gz MGXJWLHTYJLBKW-GFCCVEGCSA-N 2 2 289.445 0.484 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C1CC1 ZINC000361390462 138034465 /nfs/dbraw/zinc/03/44/65/138034465.db2.gz MGXJWLHTYJLBKW-GFCCVEGCSA-N 2 2 289.445 0.484 20 0 CCADLP COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000419358011 291091062 /nfs/dbraw/zinc/09/10/62/291091062.db2.gz OUNWOVBWGMTTMF-STQMWFEESA-N 2 2 297.399 0.224 20 0 CCADLP COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000419358011 291091065 /nfs/dbraw/zinc/09/10/65/291091065.db2.gz OUNWOVBWGMTTMF-STQMWFEESA-N 2 2 297.399 0.224 20 0 CCADLP COC(=O)CNC(=O)[C@@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000419358011 291091068 /nfs/dbraw/zinc/09/10/68/291091068.db2.gz OUNWOVBWGMTTMF-STQMWFEESA-N 2 2 297.399 0.224 20 0 CCADLP COC(=O)CNC(=O)[C@@H]1CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000419358011 291091070 /nfs/dbraw/zinc/09/10/70/291091070.db2.gz OUNWOVBWGMTTMF-STQMWFEESA-N 2 2 297.399 0.224 20 0 CCADLP CC[NH+]1CCN(C(=O)CNc2nc(C)[nH+]c(C)c2C)CC1 ZINC000354431816 356413164 /nfs/dbraw/zinc/41/31/64/356413164.db2.gz XSADXDVEEXTHIO-UHFFFAOYSA-N 2 2 291.399 0.400 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000362849885 138077153 /nfs/dbraw/zinc/07/71/53/138077153.db2.gz IJGOOLKYWAISQV-OLZOCXBDSA-N 2 2 291.399 0.252 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000362849885 138077154 /nfs/dbraw/zinc/07/71/54/138077154.db2.gz IJGOOLKYWAISQV-OLZOCXBDSA-N 2 2 291.399 0.252 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000362964964 138082597 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Cn1cc[nH+]c1CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000363089013 138085164 /nfs/dbraw/zinc/08/51/64/138085164.db2.gz WCIJHUNCKKNPCU-LBPRGKRZSA-N 2 2 277.372 0.800 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354693223 356476448 /nfs/dbraw/zinc/47/64/48/356476448.db2.gz OMFISSZAHJHQDZ-LBPRGKRZSA-N 2 2 276.340 0.009 20 0 CCADLP CCOC[C@H](O)C[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000354856773 356515207 /nfs/dbraw/zinc/51/52/07/356515207.db2.gz VIALNUPFVCORDG-DZGCQCFKSA-N 2 2 286.416 0.569 20 0 CCADLP O=C(NCC[NH+]1CCC1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000355148562 356591271 /nfs/dbraw/zinc/59/12/71/356591271.db2.gz BXIOFDLTYMSCMA-CQSZACIVSA-N 2 2 281.400 0.452 20 0 CCADLP O=C(NCC[NH+]1CCC1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000355148562 356591273 /nfs/dbraw/zinc/59/12/73/356591273.db2.gz BXIOFDLTYMSCMA-CQSZACIVSA-N 2 2 281.400 0.452 20 0 CCADLP COC(=O)CN1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000355242903 356616606 /nfs/dbraw/zinc/61/66/06/356616606.db2.gz RSGYLPFRMYSQJH-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP COC(=O)CN1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000355242903 356616609 /nfs/dbraw/zinc/61/66/09/356616609.db2.gz RSGYLPFRMYSQJH-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000329026274 202156286 /nfs/dbraw/zinc/15/62/86/202156286.db2.gz OBMIDEZTRFSTFT-ZIAGYGMSSA-N 2 2 292.383 0.284 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000329026274 202156288 /nfs/dbraw/zinc/15/62/88/202156288.db2.gz OBMIDEZTRFSTFT-ZIAGYGMSSA-N 2 2 292.383 0.284 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000356132992 356709401 /nfs/dbraw/zinc/70/94/01/356709401.db2.gz PXMCUECRPISRPM-OLZOCXBDSA-N 2 2 295.387 0.292 20 0 CCADLP C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000357236785 356769323 /nfs/dbraw/zinc/76/93/23/356769323.db2.gz UOYWJBJHEURZQP-ILXRZTDVSA-N 2 2 296.459 0.563 20 0 CCADLP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000357236785 356769327 /nfs/dbraw/zinc/76/93/27/356769327.db2.gz UOYWJBJHEURZQP-ILXRZTDVSA-N 2 2 296.459 0.563 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000359268180 356788975 /nfs/dbraw/zinc/78/89/75/356788975.db2.gz UNOLGYNFVWQXEP-QMTHXVAHSA-N 2 2 292.383 0.949 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000359268180 356788978 /nfs/dbraw/zinc/78/89/78/356788978.db2.gz UNOLGYNFVWQXEP-QMTHXVAHSA-N 2 2 292.383 0.949 20 0 CCADLP CN(CC[NH+](C)C)C(=O)c1cc(C[NH+](C)C)on1 ZINC000359449186 356824018 /nfs/dbraw/zinc/82/40/18/356824018.db2.gz UDZUDFRYDWKPMF-UHFFFAOYSA-N 2 2 254.334 0.370 20 0 CCADLP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000359763673 356887616 /nfs/dbraw/zinc/88/76/16/356887616.db2.gz OQYIWVKOTBCUIE-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000359763673 356887618 /nfs/dbraw/zinc/88/76/18/356887618.db2.gz OQYIWVKOTBCUIE-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP O=C1NCCCC[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655687651 412645602 /nfs/dbraw/zinc/64/56/02/412645602.db2.gz USLMZCKZCURJSG-HUUCEWRRSA-N 2 2 295.427 0.888 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CN2CCOCC2)C1 ZINC000359933675 356921844 /nfs/dbraw/zinc/92/18/44/356921844.db2.gz KHCNWMYTZUOSIQ-BFHYXJOUSA-N 2 2 255.406 0.637 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CN2CCOCC2)C1 ZINC000359933675 356921849 /nfs/dbraw/zinc/92/18/49/356921849.db2.gz KHCNWMYTZUOSIQ-BFHYXJOUSA-N 2 2 255.406 0.637 20 0 CCADLP Cn1cc(N2CC[C@H]([N@@H+]3CC[C@]4(CC[NH2+]C4)C3)C2=O)cn1 ZINC000360561990 357039575 /nfs/dbraw/zinc/03/95/75/357039575.db2.gz KGUTWXXHTWDOPN-ZFWWWQNUSA-N 2 2 289.383 0.211 20 0 CCADLP Cn1cc(N2CC[C@H]([N@H+]3CC[C@]4(CC[NH2+]C4)C3)C2=O)cn1 ZINC000360561990 357039576 /nfs/dbraw/zinc/03/95/76/357039576.db2.gz KGUTWXXHTWDOPN-ZFWWWQNUSA-N 2 2 289.383 0.211 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000360474151 357020709 /nfs/dbraw/zinc/02/07/09/357020709.db2.gz ZBIBIQPSFOKWLI-ZDUSSCGKSA-N 2 2 292.383 0.236 20 0 CCADLP C[C@H](NC(=O)[C@@H]1C[C@]12CC[NH2+]C2)[C@H](C)[NH+]1CCOCC1 ZINC000364200153 357095125 /nfs/dbraw/zinc/09/51/25/357095125.db2.gz GQLOGNJJJXBZQD-ABHRYQDASA-N 2 2 281.400 0.211 20 0 CCADLP C[NH+](C)CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000365435976 357151683 /nfs/dbraw/zinc/15/16/83/357151683.db2.gz YLKLLBFDTPGIMV-CYBMUJFWSA-N 2 2 269.389 0.308 20 0 CCADLP C[NH+](C)CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000365435976 357151687 /nfs/dbraw/zinc/15/16/87/357151687.db2.gz YLKLLBFDTPGIMV-CYBMUJFWSA-N 2 2 269.389 0.308 20 0 CCADLP CN1CCC[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1=O ZINC000655717862 412652492 /nfs/dbraw/zinc/65/24/92/412652492.db2.gz FFMLLERYCXUNOR-CABCVRRESA-N 2 2 295.427 0.840 20 0 CCADLP CC[C@H](CCO)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655715818 412653122 /nfs/dbraw/zinc/65/31/22/412653122.db2.gz NUSYDOPHTPPMSG-TZMCWYRMSA-N 2 2 256.390 0.990 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000619902598 366383409 /nfs/dbraw/zinc/38/34/09/366383409.db2.gz LIRSNCKPNDLIQA-GFCCVEGCSA-N 2 2 250.346 0.943 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000619902598 366383414 /nfs/dbraw/zinc/38/34/14/366383414.db2.gz LIRSNCKPNDLIQA-GFCCVEGCSA-N 2 2 250.346 0.943 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000619902598 366383418 /nfs/dbraw/zinc/38/34/18/366383418.db2.gz LIRSNCKPNDLIQA-GFCCVEGCSA-N 2 2 250.346 0.943 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000619902598 366383424 /nfs/dbraw/zinc/38/34/24/366383424.db2.gz LIRSNCKPNDLIQA-GFCCVEGCSA-N 2 2 250.346 0.943 20 0 CCADLP CCC[N@H+](CCS(=O)(=O)CC)C1CC[NH2+]CC1 ZINC000037539193 283267227 /nfs/dbraw/zinc/26/72/27/283267227.db2.gz CZIRNUGIALUDSZ-UHFFFAOYSA-N 2 2 262.419 0.885 20 0 CCADLP CCC[N@@H+](CCS(=O)(=O)CC)C1CC[NH2+]CC1 ZINC000037539193 283267228 /nfs/dbraw/zinc/26/72/28/283267228.db2.gz CZIRNUGIALUDSZ-UHFFFAOYSA-N 2 2 262.419 0.885 20 0 CCADLP CC(C)CNC(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000378248397 357664591 /nfs/dbraw/zinc/66/45/91/357664591.db2.gz MXGRKFCLBWYMCY-RBSFLKMASA-N 2 2 297.443 0.942 20 0 CCADLP CC(C)CNC(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000378248397 357664597 /nfs/dbraw/zinc/66/45/97/357664597.db2.gz MXGRKFCLBWYMCY-RBSFLKMASA-N 2 2 297.443 0.942 20 0 CCADLP COCC[NH2+]CCNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC000378334807 357674014 /nfs/dbraw/zinc/67/40/14/357674014.db2.gz JFKBCZJZMKTSIR-UHFFFAOYSA-N 2 2 297.424 0.458 20 0 CCADLP COCC[NH2+]CCNC(=O)C[N@H+]1CCc2sccc2C1 ZINC000378334807 357674015 /nfs/dbraw/zinc/67/40/15/357674015.db2.gz JFKBCZJZMKTSIR-UHFFFAOYSA-N 2 2 297.424 0.458 20 0 CCADLP NC(=O)c1cccc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000449395409 236032565 /nfs/dbraw/zinc/03/25/65/236032565.db2.gz PVIUZEBKUUYCNX-OAHLLOKOSA-N 2 2 291.395 0.722 20 0 CCADLP NC(=O)c1cccc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)c1 ZINC000449395409 236032567 /nfs/dbraw/zinc/03/25/67/236032567.db2.gz PVIUZEBKUUYCNX-OAHLLOKOSA-N 2 2 291.395 0.722 20 0 CCADLP Cc1ccc(CCC[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c[nH+]1 ZINC000449522947 236036127 /nfs/dbraw/zinc/03/61/27/236036127.db2.gz MKOPICDASCRWNY-BETUJISGSA-N 2 2 273.336 0.527 20 0 CCADLP Cc1ccc(CCC[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c[nH+]1 ZINC000449522947 236036130 /nfs/dbraw/zinc/03/61/30/236036130.db2.gz MKOPICDASCRWNY-BETUJISGSA-N 2 2 273.336 0.527 20 0 CCADLP COC(=O)C[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000380538897 357704605 /nfs/dbraw/zinc/70/46/05/357704605.db2.gz MTLUDQILFHBNTD-UONOGXRCSA-N 2 2 284.400 0.859 20 0 CCADLP COC(=O)C[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000380538897 357704607 /nfs/dbraw/zinc/70/46/07/357704607.db2.gz MTLUDQILFHBNTD-UONOGXRCSA-N 2 2 284.400 0.859 20 0 CCADLP COC(=O)C[C@@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000380538897 357704610 /nfs/dbraw/zinc/70/46/10/357704610.db2.gz MTLUDQILFHBNTD-UONOGXRCSA-N 2 2 284.400 0.859 20 0 CCADLP COC(=O)C[C@@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000380538897 357704613 /nfs/dbraw/zinc/70/46/13/357704613.db2.gz MTLUDQILFHBNTD-UONOGXRCSA-N 2 2 284.400 0.859 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@@H](CO)Cc1ccccc1)C1CC1 ZINC000380905002 357706241 /nfs/dbraw/zinc/70/62/41/357706241.db2.gz HLWJFFHRHQNDHY-GDBMZVCRSA-N 2 2 278.396 0.635 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H](CO)Cc1ccccc1)C1CC1 ZINC000380905002 357706246 /nfs/dbraw/zinc/70/62/46/357706246.db2.gz HLWJFFHRHQNDHY-GDBMZVCRSA-N 2 2 278.396 0.635 20 0 CCADLP C[NH+]1CCC(CCO)([NH2+]Cc2cc(C(N)=O)cs2)CC1 ZINC000655791290 412659399 /nfs/dbraw/zinc/65/93/99/412659399.db2.gz LGWCIRIIMBDCKN-UHFFFAOYSA-N 2 2 297.424 0.783 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](OC)C1 ZINC000381155683 357707676 /nfs/dbraw/zinc/70/76/76/357707676.db2.gz NPTGTRNCIDEBIS-QWHCGFSZSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](OC)C1 ZINC000381155683 357707681 /nfs/dbraw/zinc/70/76/81/357707681.db2.gz NPTGTRNCIDEBIS-QWHCGFSZSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](OC)C1 ZINC000381155683 357707685 /nfs/dbraw/zinc/70/76/85/357707685.db2.gz NPTGTRNCIDEBIS-QWHCGFSZSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](OC)C1 ZINC000381155683 357707690 /nfs/dbraw/zinc/70/76/90/357707690.db2.gz NPTGTRNCIDEBIS-QWHCGFSZSA-N 2 2 260.378 0.036 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC000450255565 236076865 /nfs/dbraw/zinc/07/68/65/236076865.db2.gz ZOUNBYFNPCLPCQ-UHFFFAOYSA-N 2 2 275.343 0.738 20 0 CCADLP COc1cc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)sn1 ZINC000399340891 357782596 /nfs/dbraw/zinc/78/25/96/357782596.db2.gz ZRAMLTSSEBLMPV-UHFFFAOYSA-N 2 2 284.385 0.015 20 0 CCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Cc1c[nH+]cn1C ZINC000561201032 291120681 /nfs/dbraw/zinc/12/06/81/291120681.db2.gz SGFWWAZIJGKTTD-GXTWGEPZSA-N 2 2 292.383 0.284 20 0 CCADLP C[N@H+](CCCCNC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000561218318 291122126 /nfs/dbraw/zinc/12/21/26/291122126.db2.gz DQYFGYYLQIBESD-AWEZNQCLSA-N 3 2 297.447 0.145 20 0 CCADLP C[N@@H+](CCCCNC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000561218318 291122129 /nfs/dbraw/zinc/12/21/29/291122129.db2.gz DQYFGYYLQIBESD-AWEZNQCLSA-N 3 2 297.447 0.145 20 0 CCADLP C[NH+](CCCCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000561218318 291122132 /nfs/dbraw/zinc/12/21/32/291122132.db2.gz DQYFGYYLQIBESD-AWEZNQCLSA-N 3 2 297.447 0.145 20 0 CCADLP C[NH+](CCCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000561218318 291122135 /nfs/dbraw/zinc/12/21/35/291122135.db2.gz DQYFGYYLQIBESD-AWEZNQCLSA-N 3 2 297.447 0.145 20 0 CCADLP O[C@@H]1COC[C@H]1[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000561273261 291125494 /nfs/dbraw/zinc/12/54/94/291125494.db2.gz CZQWOIOWQVOCEO-JHJVBQTASA-N 2 2 263.341 0.575 20 0 CCADLP O[C@@H]1COC[C@H]1[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000561273261 291125495 /nfs/dbraw/zinc/12/54/95/291125495.db2.gz CZQWOIOWQVOCEO-JHJVBQTASA-N 2 2 263.341 0.575 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CC2CC2)CC1 ZINC000131338078 283320067 /nfs/dbraw/zinc/32/00/67/283320067.db2.gz RLELUQOTHIHUCA-ZDUSSCGKSA-N 2 2 251.374 0.811 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CC2CC2)CC1 ZINC000131338078 283320068 /nfs/dbraw/zinc/32/00/68/283320068.db2.gz RLELUQOTHIHUCA-ZDUSSCGKSA-N 2 2 251.374 0.811 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000455035138 236320694 /nfs/dbraw/zinc/32/06/94/236320694.db2.gz OLNXBOJGJDLFCK-CYBMUJFWSA-N 2 2 292.383 0.780 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000455035138 236320696 /nfs/dbraw/zinc/32/06/96/236320696.db2.gz OLNXBOJGJDLFCK-CYBMUJFWSA-N 2 2 292.383 0.780 20 0 CCADLP COCCO[C@@H]1C[C@@H](CO)C[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414756269 358123251 /nfs/dbraw/zinc/12/32/51/358123251.db2.gz JIPQXWLYCSLIKG-RBSFLKMASA-N 2 2 288.432 0.706 20 0 CCADLP COCCO[C@@H]1C[C@@H](CO)C[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414756269 358123255 /nfs/dbraw/zinc/12/32/55/358123255.db2.gz JIPQXWLYCSLIKG-RBSFLKMASA-N 2 2 288.432 0.706 20 0 CCADLP C[C@]1(F)C[NH2+]CCN(C(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000336212461 213034179 /nfs/dbraw/zinc/03/41/79/213034179.db2.gz YSIRKRIRVDSFFX-JSGCOSHPSA-N 2 2 265.332 0.846 20 0 CCADLP C[NH2+]CCC[N@H+](C)CC(=O)N(C)CC(F)(F)F ZINC000420388676 358181744 /nfs/dbraw/zinc/18/17/44/358181744.db2.gz MDXNPKFPORFZQK-UHFFFAOYSA-N 2 2 255.284 0.548 20 0 CCADLP C[NH2+]CCC[N@@H+](C)CC(=O)N(C)CC(F)(F)F ZINC000420388676 358181746 /nfs/dbraw/zinc/18/17/46/358181746.db2.gz MDXNPKFPORFZQK-UHFFFAOYSA-N 2 2 255.284 0.548 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000423535468 358201540 /nfs/dbraw/zinc/20/15/40/358201540.db2.gz XSDRISADICVCAT-GZBFAFLISA-N 2 2 295.427 0.826 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000423535468 358201541 /nfs/dbraw/zinc/20/15/41/358201541.db2.gz XSDRISADICVCAT-GZBFAFLISA-N 2 2 295.427 0.826 20 0 CCADLP CN(CCC[NH+]1CCOCC1)CC[N@@H+]1CCOC(C)(C)C1 ZINC000434704274 358235249 /nfs/dbraw/zinc/23/52/49/358235249.db2.gz XOHZNVAOOWYYKO-UHFFFAOYSA-N 2 2 299.459 0.751 20 0 CCADLP CN(CCC[NH+]1CCOCC1)CC[N@H+]1CCOC(C)(C)C1 ZINC000434704274 358235252 /nfs/dbraw/zinc/23/52/52/358235252.db2.gz XOHZNVAOOWYYKO-UHFFFAOYSA-N 2 2 299.459 0.751 20 0 CCADLP O=C(N1CCn2cc[nH+]c2C1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436300165 358236841 /nfs/dbraw/zinc/23/68/41/358236841.db2.gz UFOLXZAALMNVFE-BXUZGUMPSA-N 2 2 260.341 0.615 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H](C2N=NC(=O)O2)C1)C1CC1 ZINC000450901734 358257840 /nfs/dbraw/zinc/25/78/40/358257840.db2.gz IJCDOPOHWWWOAI-PWSUYJOCSA-N 2 2 296.371 0.410 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H](C2N=NC(=O)O2)C1)C1CC1 ZINC000450901734 358257841 /nfs/dbraw/zinc/25/78/41/358257841.db2.gz IJCDOPOHWWWOAI-PWSUYJOCSA-N 2 2 296.371 0.410 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1)C1CC1 ZINC000450901734 358257842 /nfs/dbraw/zinc/25/78/42/358257842.db2.gz IJCDOPOHWWWOAI-PWSUYJOCSA-N 2 2 296.371 0.410 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1)C1CC1 ZINC000450901734 358257843 /nfs/dbraw/zinc/25/78/43/358257843.db2.gz IJCDOPOHWWWOAI-PWSUYJOCSA-N 2 2 296.371 0.410 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000487732420 358287595 /nfs/dbraw/zinc/28/75/95/358287595.db2.gz RQTOCBUYMHTORM-TUVASFSCSA-N 2 2 295.427 0.506 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000487732420 358287596 /nfs/dbraw/zinc/28/75/96/358287596.db2.gz RQTOCBUYMHTORM-TUVASFSCSA-N 2 2 295.427 0.506 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CC2(S(C)(=O)=O)CC2)CC[N@@H+]1C ZINC000359024114 291145803 /nfs/dbraw/zinc/14/58/03/291145803.db2.gz AFKULWNTQINJBA-WDEREUQCSA-N 2 2 260.403 0.636 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CC2(S(C)(=O)=O)CC2)CC[N@H+]1C ZINC000359024114 291145804 /nfs/dbraw/zinc/14/58/04/291145804.db2.gz AFKULWNTQINJBA-WDEREUQCSA-N 2 2 260.403 0.636 20 0 CCADLP c1ccc(N2CCC([NH2+]C[C@@H]3COCCN3)CC2)[nH+]c1 ZINC000530180528 358373358 /nfs/dbraw/zinc/37/33/58/358373358.db2.gz BWDAPCQNAQSJBY-CQSZACIVSA-N 2 2 276.384 0.628 20 0 CCADLP CCCNC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339435441 283370062 /nfs/dbraw/zinc/37/00/62/283370062.db2.gz AQDBQXBFRVTRKG-AWEZNQCLSA-N 2 2 253.390 0.930 20 0 CCADLP CCCNC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339435441 283370064 /nfs/dbraw/zinc/37/00/64/283370064.db2.gz AQDBQXBFRVTRKG-AWEZNQCLSA-N 2 2 253.390 0.930 20 0 CCADLP CCCNC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339435441 283370070 /nfs/dbraw/zinc/37/00/70/283370070.db2.gz AQDBQXBFRVTRKG-AWEZNQCLSA-N 2 2 253.390 0.930 20 0 CCADLP CCCNC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339435441 283370072 /nfs/dbraw/zinc/37/00/72/283370072.db2.gz AQDBQXBFRVTRKG-AWEZNQCLSA-N 2 2 253.390 0.930 20 0 CCADLP C[C@@](C[NH3+])([NH2+]Cc1coc(S(C)(=O)=O)c1)C1CC1 ZINC000530213729 358379729 /nfs/dbraw/zinc/37/97/29/358379729.db2.gz VSWFZRFFCWOHLZ-LBPRGKRZSA-N 2 2 272.370 0.900 20 0 CCADLP Cn1ncnc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530239097 358384700 /nfs/dbraw/zinc/38/47/00/358384700.db2.gz CMDBNEJPSYRMLG-CYBMUJFWSA-N 2 2 279.388 0.406 20 0 CCADLP CC(C)C[C@H](CO)[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000567734811 358579175 /nfs/dbraw/zinc/57/91/75/358579175.db2.gz YKTNLKQKPHXVQU-BARDWOONSA-N 2 2 288.432 0.453 20 0 CCADLP CC(C)C[C@H](CO)[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000567734811 358579178 /nfs/dbraw/zinc/57/91/78/358579178.db2.gz YKTNLKQKPHXVQU-BARDWOONSA-N 2 2 288.432 0.453 20 0 CCADLP CCO[C@H]1C[C@H]1[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000562487735 291155188 /nfs/dbraw/zinc/15/51/88/291155188.db2.gz ILFCYOOPFLLCHS-CVEARBPZSA-N 2 2 297.443 0.550 20 0 CCADLP CC[N@H+](CC(=O)NCC[NH+]1CCO[C@H](C)C1)C1CC1 ZINC000533089071 358525597 /nfs/dbraw/zinc/52/55/97/358525597.db2.gz XGOBJEWGWKQHSF-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP CC[N@@H+](CC(=O)NCC[NH+]1CCO[C@H](C)C1)C1CC1 ZINC000533089071 358525599 /nfs/dbraw/zinc/52/55/99/358525599.db2.gz XGOBJEWGWKQHSF-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH+](CC(=O)NCC[N@@H+]1CCO[C@H](C)C1)C1CC1 ZINC000533089071 358525601 /nfs/dbraw/zinc/52/56/01/358525601.db2.gz XGOBJEWGWKQHSF-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH+](CC(=O)NCC[N@H+]1CCO[C@H](C)C1)C1CC1 ZINC000533089071 358525603 /nfs/dbraw/zinc/52/56/03/358525603.db2.gz XGOBJEWGWKQHSF-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP CCO[C@H]1C[C@H]1[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000562487735 291155189 /nfs/dbraw/zinc/15/51/89/291155189.db2.gz ILFCYOOPFLLCHS-CVEARBPZSA-N 2 2 297.443 0.550 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567889309 358606066 /nfs/dbraw/zinc/60/60/66/358606066.db2.gz KEKAXKARWVAKOZ-LBPRGKRZSA-N 2 2 275.418 0.001 20 0 CCADLP CCS(=O)(=O)NCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567889309 358606067 /nfs/dbraw/zinc/60/60/67/358606067.db2.gz KEKAXKARWVAKOZ-LBPRGKRZSA-N 2 2 275.418 0.001 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCc2cc(F)ccc2F)[C@H](C[NH3+])C1 ZINC000567829728 358596201 /nfs/dbraw/zinc/59/62/01/358596201.db2.gz KVUNUIFBPOXRIQ-CYBMUJFWSA-N 2 2 297.349 0.999 20 0 CCADLP C[N@H+]1CCN(C(=O)CCc2cc(F)ccc2F)[C@H](C[NH3+])C1 ZINC000567829728 358596203 /nfs/dbraw/zinc/59/62/03/358596203.db2.gz KVUNUIFBPOXRIQ-CYBMUJFWSA-N 2 2 297.349 0.999 20 0 CCADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]Cc1c[nH]c2nccnc12 ZINC000569425446 358762622 /nfs/dbraw/zinc/76/26/22/358762622.db2.gz UAQYWGUOYZBIEJ-CYBMUJFWSA-N 2 2 289.383 0.846 20 0 CCADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]Cc1c[nH]c2nccnc12 ZINC000569425446 358762625 /nfs/dbraw/zinc/76/26/25/358762625.db2.gz UAQYWGUOYZBIEJ-CYBMUJFWSA-N 2 2 289.383 0.846 20 0 CCADLP Cc1ncncc1[C@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000568879015 358714148 /nfs/dbraw/zinc/71/41/48/358714148.db2.gz DMALKFNBLIBLDA-AAEUAGOBSA-N 2 2 263.389 0.681 20 0 CCADLP Cc1ncncc1[C@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000568879015 358714150 /nfs/dbraw/zinc/71/41/50/358714150.db2.gz DMALKFNBLIBLDA-AAEUAGOBSA-N 2 2 263.389 0.681 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3cccc4c3OCO4)CCN2C1=O ZINC000568902000 358717346 /nfs/dbraw/zinc/71/73/46/358717346.db2.gz QXJJTUJTECPVNF-NEPJUHHUSA-N 2 2 289.335 0.159 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3cccc4c3OCO4)CCN2C1=O ZINC000568902000 358717349 /nfs/dbraw/zinc/71/73/49/358717349.db2.gz QXJJTUJTECPVNF-NEPJUHHUSA-N 2 2 289.335 0.159 20 0 CCADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](C[C@H]2C[C@@H](O)C2)CC1 ZINC000569017756 358727303 /nfs/dbraw/zinc/72/73/03/358727303.db2.gz PCLQENHMANKZKT-KCQAQPDRSA-N 2 2 268.401 0.942 20 0 CCADLP C[C@H]1COCC[N@H+]1C1CC[NH+](C[C@H]2C[C@@H](O)C2)CC1 ZINC000569017756 358727307 /nfs/dbraw/zinc/72/73/07/358727307.db2.gz PCLQENHMANKZKT-KCQAQPDRSA-N 2 2 268.401 0.942 20 0 CCADLP COC[C@@]1(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CCC[NH2+]1 ZINC000569497617 358769147 /nfs/dbraw/zinc/76/91/47/358769147.db2.gz KUDVGLBOWFULFQ-OCCSQVGLSA-N 2 2 280.372 0.719 20 0 CCADLP C[C@H](C[NH3+])NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000570029851 358814953 /nfs/dbraw/zinc/81/49/53/358814953.db2.gz HRJWTVQKKJHYNS-LLVKDONJSA-N 2 2 282.413 0.923 20 0 CCADLP CCCNC(=O)[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000569707014 358786463 /nfs/dbraw/zinc/78/64/63/358786463.db2.gz WMUHJMIIUUPAPK-UONOGXRCSA-N 2 2 285.432 0.537 20 0 CCADLP CCCNC(=O)[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000569707014 358786465 /nfs/dbraw/zinc/78/64/65/358786465.db2.gz WMUHJMIIUUPAPK-UONOGXRCSA-N 2 2 285.432 0.537 20 0 CCADLP CCCNC(=O)[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)CC)C1 ZINC000569707014 358786467 /nfs/dbraw/zinc/78/64/67/358786467.db2.gz WMUHJMIIUUPAPK-UONOGXRCSA-N 2 2 285.432 0.537 20 0 CCADLP CCCNC(=O)[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)CC)C1 ZINC000569707014 358786472 /nfs/dbraw/zinc/78/64/72/358786472.db2.gz WMUHJMIIUUPAPK-UONOGXRCSA-N 2 2 285.432 0.537 20 0 CCADLP COC[C@@]1(CNC(=O)N(C)Cc2c[nH+]c[nH]2)CCC[NH2+]1 ZINC000569710088 358787551 /nfs/dbraw/zinc/78/75/51/358787551.db2.gz MPVKLAPZNIFPAL-ZDUSSCGKSA-N 2 2 281.360 0.320 20 0 CCADLP COC[C@@]1(CNC(=O)N(C)Cc2c[nH]c[nH+]2)CCC[NH2+]1 ZINC000569710088 358787554 /nfs/dbraw/zinc/78/75/54/358787554.db2.gz MPVKLAPZNIFPAL-ZDUSSCGKSA-N 2 2 281.360 0.320 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000569820935 358796692 /nfs/dbraw/zinc/79/66/92/358796692.db2.gz DXDRMSZFIGICBY-MCIONIFRSA-N 2 2 296.415 0.243 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000569820935 358796697 /nfs/dbraw/zinc/79/66/97/358796697.db2.gz DXDRMSZFIGICBY-MCIONIFRSA-N 2 2 296.415 0.243 20 0 CCADLP CC(C)CC[C@H](O)C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000569921503 358805036 /nfs/dbraw/zinc/80/50/36/358805036.db2.gz VMGGZIWSHSXYHJ-KBPBESRZSA-N 2 2 257.422 0.619 20 0 CCADLP CC(C)CC[C@H](O)C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000569921503 358805039 /nfs/dbraw/zinc/80/50/39/358805039.db2.gz VMGGZIWSHSXYHJ-KBPBESRZSA-N 2 2 257.422 0.619 20 0 CCADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000569942306 358808342 /nfs/dbraw/zinc/80/83/42/358808342.db2.gz MPXCKVOGNUDAHM-INIZCTEOSA-N 2 2 285.395 0.866 20 0 CCADLP CC[NH+]1CCC([N@@H+]2CCCN(S(C)(=O)=O)CC2)CC1 ZINC000570152967 358828153 /nfs/dbraw/zinc/82/81/53/358828153.db2.gz OSZRSDIKZLPNJB-UHFFFAOYSA-N 2 2 289.445 0.438 20 0 CCADLP CC[NH+]1CCC([N@H+]2CCCN(S(C)(=O)=O)CC2)CC1 ZINC000570152967 358828160 /nfs/dbraw/zinc/82/81/60/358828160.db2.gz OSZRSDIKZLPNJB-UHFFFAOYSA-N 2 2 289.445 0.438 20 0 CCADLP O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000570329957 358846333 /nfs/dbraw/zinc/84/63/33/358846333.db2.gz PYEOYXICQDMYLL-UTUOFQBUSA-N 2 2 289.383 0.453 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc2c[nH+]cn2c1)C1CC1 ZINC000570626367 358875926 /nfs/dbraw/zinc/87/59/26/358875926.db2.gz KBKKRRSNPWNBCC-HNNXBMFYSA-N 3 2 274.368 0.879 20 0 CCADLP 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/nfs/dbraw/zinc/20/48/25/291204825.db2.gz LZABJMJPNIJGKQ-PHIMTYICSA-N 2 2 262.357 0.615 20 0 CCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[NH+]2CCC1CC2 ZINC000563203320 291205157 /nfs/dbraw/zinc/20/51/57/291205157.db2.gz UVBFAWRQYDFPOJ-LBPRGKRZSA-N 2 2 274.368 0.752 20 0 CCADLP CC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H](C)[NH2+]1 ZINC000620899319 366594736 /nfs/dbraw/zinc/59/47/36/366594736.db2.gz CIMPWXGQBDDEJV-WDEREUQCSA-N 2 2 250.346 0.941 20 0 CCADLP CC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H](C)[NH2+]1 ZINC000620899319 366594739 /nfs/dbraw/zinc/59/47/39/366594739.db2.gz CIMPWXGQBDDEJV-WDEREUQCSA-N 2 2 250.346 0.941 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC[NH2+]1 ZINC000621156011 366655640 /nfs/dbraw/zinc/65/56/40/366655640.db2.gz QVGKEYZSAQISIU-OCCSQVGLSA-N 2 2 276.384 0.902 20 0 CCADLP CCc1cnc(N2CC[NH+](C[C@](C)(O)C[NH2+]C)CC2)s1 ZINC000563271344 291211051 /nfs/dbraw/zinc/21/10/51/291211051.db2.gz QJAXDWCCRNERSA-CQSZACIVSA-N 2 2 298.456 0.798 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000684822785 545744445 /nfs/dbraw/zinc/74/44/45/545744445.db2.gz OBWCSMIRMHTANC-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000684822785 545744452 /nfs/dbraw/zinc/74/44/52/545744452.db2.gz OBWCSMIRMHTANC-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@@H]1C[NH+](C)CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000684822785 545744456 /nfs/dbraw/zinc/74/44/56/545744456.db2.gz OBWCSMIRMHTANC-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@@H]1C[NH+](C)CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000684822785 545744462 /nfs/dbraw/zinc/74/44/62/545744462.db2.gz OBWCSMIRMHTANC-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592961897 360002982 /nfs/dbraw/zinc/00/29/82/360002982.db2.gz USNWCGDJVISQDG-SNVBAGLBSA-N 2 2 288.355 0.681 20 0 CCADLP CCCCCNC(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000563348895 291215317 /nfs/dbraw/zinc/21/53/17/291215317.db2.gz QFDLHZVFXGBPGY-UHFFFAOYSA-N 2 2 279.388 0.838 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000593314182 360063991 /nfs/dbraw/zinc/06/39/91/360063991.db2.gz AUHRAWLVNAIUFY-SRVKXCTJSA-N 2 2 256.346 0.248 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000593314182 360063993 /nfs/dbraw/zinc/06/39/93/360063993.db2.gz AUHRAWLVNAIUFY-SRVKXCTJSA-N 2 2 256.346 0.248 20 0 CCADLP COC(=O)[C@@H](C)CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000593907477 360204427 /nfs/dbraw/zinc/20/44/27/360204427.db2.gz PRJQBCPOFYBSJU-JQWIXIFHSA-N 2 2 285.388 0.066 20 0 CCADLP COC(=O)C[C@H]1COCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000593987985 360227796 /nfs/dbraw/zinc/22/77/96/360227796.db2.gz BUTQDYNKTPMWMH-ZDUSSCGKSA-N 2 2 281.356 0.617 20 0 CCADLP COC(=O)C[C@H]1COCC[N@H+]1CCCc1c[nH+]cn1C ZINC000593987985 360227800 /nfs/dbraw/zinc/22/78/00/360227800.db2.gz BUTQDYNKTPMWMH-ZDUSSCGKSA-N 2 2 281.356 0.617 20 0 CCADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC000594740996 360372227 /nfs/dbraw/zinc/37/22/27/360372227.db2.gz VTMMGZJBJFZKAT-LBPRGKRZSA-N 2 2 282.388 0.391 20 0 CCADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC000594740996 360372231 /nfs/dbraw/zinc/37/22/31/360372231.db2.gz VTMMGZJBJFZKAT-LBPRGKRZSA-N 2 2 282.388 0.391 20 0 CCADLP COC(=O)CC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000595471295 360544338 /nfs/dbraw/zinc/54/43/38/360544338.db2.gz YYPQCKIOQXEZQC-CYBMUJFWSA-N 2 2 270.373 0.736 20 0 CCADLP COC(=O)CC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000595471295 360544343 /nfs/dbraw/zinc/54/43/43/360544343.db2.gz YYPQCKIOQXEZQC-CYBMUJFWSA-N 2 2 270.373 0.736 20 0 CCADLP CCOC(=O)C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000595892214 360691991 /nfs/dbraw/zinc/69/19/91/360691991.db2.gz MHVYMZLZIGUIAY-GFCCVEGCSA-N 2 2 268.357 0.535 20 0 CCADLP CCOC(=O)C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000595892214 360691996 /nfs/dbraw/zinc/69/19/96/360691996.db2.gz MHVYMZLZIGUIAY-GFCCVEGCSA-N 2 2 268.357 0.535 20 0 CCADLP COC(=O)CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1=O ZINC000595891263 360692433 /nfs/dbraw/zinc/69/24/33/360692433.db2.gz CATWGNPMEAJOKK-IJLUTSLNSA-N 2 2 283.372 0.010 20 0 CCADLP O=C(N[C@@H]1CCC[NH2+]C1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000178399703 189113394 /nfs/dbraw/zinc/11/33/94/189113394.db2.gz JUVJGQSFCYDELM-GFCCVEGCSA-N 2 2 271.324 0.749 20 0 CCADLP COC(=O)c1cccc(C[NH2+]C2(CO)CC[NH2+]CC2)c1 ZINC000595896617 360694894 /nfs/dbraw/zinc/69/48/94/360694894.db2.gz INGIKXULIIABAM-UHFFFAOYSA-N 2 2 278.352 0.677 20 0 CCADLP COC(=O)[C@@H](C1CC1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595906324 360699676 /nfs/dbraw/zinc/69/96/76/360699676.db2.gz JLVZWPHJZZWKJL-ZIAGYGMSSA-N 2 2 284.400 0.981 20 0 CCADLP COC(=O)[C@@H](C1CC1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595906324 360699680 /nfs/dbraw/zinc/69/96/80/360699680.db2.gz JLVZWPHJZZWKJL-ZIAGYGMSSA-N 2 2 284.400 0.981 20 0 CCADLP C[NH2+]CC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000178773851 189144925 /nfs/dbraw/zinc/14/49/25/189144925.db2.gz UYKCPRNDTCNRCK-CQSZACIVSA-N 2 2 277.368 0.084 20 0 CCADLP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423394548 299313884 /nfs/dbraw/zinc/31/38/84/299313884.db2.gz QHOMDQGYBCCPEB-SRVKXCTJSA-N 3 2 294.365 0.553 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493514035 238188322 /nfs/dbraw/zinc/18/83/22/238188322.db2.gz DCAAPWCBRVHGSD-VUDBWIFFSA-N 2 2 264.329 0.260 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493514035 238188328 /nfs/dbraw/zinc/18/83/28/238188328.db2.gz DCAAPWCBRVHGSD-VUDBWIFFSA-N 2 2 264.329 0.260 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC2CC(C(F)(F)F)C2)[C@@H](C[NH3+])C1 ZINC000563592804 291240049 /nfs/dbraw/zinc/24/00/49/291240049.db2.gz WBYDSINHAQZUAZ-RTBKNWGFSA-N 2 2 294.321 0.612 20 0 CCADLP C[N@H+]1CCN(C(=O)NC2CC(C(F)(F)F)C2)[C@@H](C[NH3+])C1 ZINC000563592804 291240051 /nfs/dbraw/zinc/24/00/51/291240051.db2.gz WBYDSINHAQZUAZ-RTBKNWGFSA-N 2 2 294.321 0.612 20 0 CCADLP Cc1ccc(/C=C\C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])o1 ZINC000493737663 238342508 /nfs/dbraw/zinc/34/25/08/238342508.db2.gz HMISPRJURSVWCX-FOQNGQEVSA-N 2 2 263.341 0.703 20 0 CCADLP Cc1ccc(/C=C\C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])o1 ZINC000493737663 238342516 /nfs/dbraw/zinc/34/25/16/238342516.db2.gz HMISPRJURSVWCX-FOQNGQEVSA-N 2 2 263.341 0.703 20 0 CCADLP C[NH+](C)[C@@]1(CNC(=O)/C=C/c2[nH]cc[nH+]2)CCSC1 ZINC000493789327 238385202 /nfs/dbraw/zinc/38/52/02/238385202.db2.gz MYTFPBPMVLPSOQ-ITDFMYJTSA-N 2 2 280.397 0.976 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccc(C(=O)NC)cc1 ZINC000563853795 291254416 /nfs/dbraw/zinc/25/44/16/291254416.db2.gz GNMAEBCKNIRXMY-OAHLLOKOSA-N 2 2 293.411 0.791 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccc(C(=O)NC)cc1 ZINC000563853795 291254418 /nfs/dbraw/zinc/25/44/18/291254418.db2.gz GNMAEBCKNIRXMY-OAHLLOKOSA-N 2 2 293.411 0.791 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccc(C(=O)NC)cc1 ZINC000563853795 291254419 /nfs/dbraw/zinc/25/44/19/291254419.db2.gz GNMAEBCKNIRXMY-OAHLLOKOSA-N 2 2 293.411 0.791 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccc(C(=O)NC)cc1 ZINC000563853795 291254421 /nfs/dbraw/zinc/25/44/21/291254421.db2.gz GNMAEBCKNIRXMY-OAHLLOKOSA-N 2 2 293.411 0.791 20 0 CCADLP Cc1nccnc1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000631823759 370689911 /nfs/dbraw/zinc/68/99/11/370689911.db2.gz NBMSGRZMWZJYHE-CYBMUJFWSA-N 2 2 289.383 0.181 20 0 CCADLP Cc1nccnc1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000631823759 370689915 /nfs/dbraw/zinc/68/99/15/370689915.db2.gz NBMSGRZMWZJYHE-CYBMUJFWSA-N 2 2 289.383 0.181 20 0 CCADLP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000611750008 363776116 /nfs/dbraw/zinc/77/61/16/363776116.db2.gz MMHQFUMJXMEVDO-JHJVBQTASA-N 2 2 276.384 0.982 20 0 CCADLP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000611750008 363776117 /nfs/dbraw/zinc/77/61/17/363776117.db2.gz MMHQFUMJXMEVDO-JHJVBQTASA-N 2 2 276.384 0.982 20 0 CCADLP CC[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)[C@@H]1CCOC1 ZINC000301641617 201112631 /nfs/dbraw/zinc/11/26/31/201112631.db2.gz CIPLPJFXJIECCL-RDBSUJKOSA-N 2 2 255.406 0.637 20 0 CCADLP CC[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)[C@@H]1CCOC1 ZINC000301641617 201112633 /nfs/dbraw/zinc/11/26/33/201112633.db2.gz CIPLPJFXJIECCL-RDBSUJKOSA-N 2 2 255.406 0.637 20 0 CCADLP COC[C@H](O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000301878225 201244931 /nfs/dbraw/zinc/24/49/31/201244931.db2.gz ODOSBIUINPEOCJ-CYBMUJFWSA-N 2 2 265.357 0.965 20 0 CCADLP CNC(=O)CCC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000564465919 291281676 /nfs/dbraw/zinc/28/16/76/291281676.db2.gz VMAPXEXMMCNOPI-NSHDSACASA-N 2 2 250.346 0.736 20 0 CCADLP CNC(=O)CCC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000564465919 291281679 /nfs/dbraw/zinc/28/16/79/291281679.db2.gz VMAPXEXMMCNOPI-NSHDSACASA-N 2 2 250.346 0.736 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000599313538 361648167 /nfs/dbraw/zinc/64/81/67/361648167.db2.gz CRTIKGCPRAFURV-XQQFMLRXSA-N 2 2 272.389 0.715 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000599313538 361648173 /nfs/dbraw/zinc/64/81/73/361648173.db2.gz CRTIKGCPRAFURV-XQQFMLRXSA-N 2 2 272.389 0.715 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000599313538 361648177 /nfs/dbraw/zinc/64/81/77/361648177.db2.gz CRTIKGCPRAFURV-XQQFMLRXSA-N 2 2 272.389 0.715 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000599313538 361648182 /nfs/dbraw/zinc/64/81/82/361648182.db2.gz CRTIKGCPRAFURV-XQQFMLRXSA-N 2 2 272.389 0.715 20 0 CCADLP C[C@@H](O)C[N@H+](C)C1CC[NH+](C[C@@H]2CN(C)C(=O)O2)CC1 ZINC000495656202 239189252 /nfs/dbraw/zinc/18/92/52/239189252.db2.gz YBAFSSZDERMJDK-YPMHNXCESA-N 2 2 285.388 0.214 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+](C[C@@H]2CN(C)C(=O)O2)CC1 ZINC000495656202 239189264 /nfs/dbraw/zinc/18/92/64/239189264.db2.gz YBAFSSZDERMJDK-YPMHNXCESA-N 2 2 285.388 0.214 20 0 CCADLP C[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1c[nH+]ccc1N ZINC000564662212 291292040 /nfs/dbraw/zinc/29/20/40/291292040.db2.gz VPWHIIJALFBOHB-UWVGGRQHSA-N 2 2 284.385 0.179 20 0 CCADLP C[C@@]1(NC(=O)NCCc2cn3ccccc3[nH+]2)CC[NH2+]C1 ZINC000612863884 364025118 /nfs/dbraw/zinc/02/51/18/364025118.db2.gz BPYXJFYVFSONED-OAHLLOKOSA-N 2 2 287.367 0.928 20 0 CCADLP CC(C)(CNC(=O)N[C@]1(C)CC[NH2+]C1)[NH+]1CCOCC1 ZINC000612863028 364025210 /nfs/dbraw/zinc/02/52/10/364025210.db2.gz NWRDAEOALUQDLW-CQSZACIVSA-N 2 2 284.404 0.148 20 0 CCADLP C[C@@]1(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC[NH2+]C1 ZINC000612896088 364036231 /nfs/dbraw/zinc/03/62/31/364036231.db2.gz OKPKKDJDMDMEPB-IUODEOHRSA-N 2 2 289.383 0.712 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612909875 364043000 /nfs/dbraw/zinc/04/30/00/364043000.db2.gz YVBWAMNZLGIHNT-LBPRGKRZSA-N 2 2 251.334 0.454 20 0 CCADLP C[C@@H](C(=O)N1CCCC[C@H]1CC[NH3+])[NH+]1CCN(C)CC1 ZINC000564803436 291301949 /nfs/dbraw/zinc/30/19/49/291301949.db2.gz MDGYIKJIPRZHAN-KBPBESRZSA-N 2 2 282.432 0.352 20 0 CCADLP COCc1ncc2c(n1)CC[N@@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000631834657 370700336 /nfs/dbraw/zinc/70/03/36/370700336.db2.gz CKNCWYWOPWYGRN-LLVKDONJSA-N 2 2 262.357 0.591 20 0 CCADLP COCc1ncc2c(n1)CC[N@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000631834657 370700341 /nfs/dbraw/zinc/70/03/41/370700341.db2.gz CKNCWYWOPWYGRN-LLVKDONJSA-N 2 2 262.357 0.591 20 0 CCADLP C[C@@H]1C[N@H+](Cc2nc3ccccc3c(=O)n2C)C[C@H]1C[NH3+] ZINC000631838498 370704747 /nfs/dbraw/zinc/70/47/47/370704747.db2.gz PJKDRVOQIGLYSG-VXGBXAGGSA-N 2 2 286.379 0.960 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2nc3ccccc3c(=O)n2C)C[C@H]1C[NH3+] ZINC000631838498 370704750 /nfs/dbraw/zinc/70/47/50/370704750.db2.gz PJKDRVOQIGLYSG-VXGBXAGGSA-N 2 2 286.379 0.960 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCCN1C(=O)NC(C)(C)C1=O ZINC000631859242 370721349 /nfs/dbraw/zinc/72/13/49/370721349.db2.gz LKYHSBGISLNDFN-NXEZZACHSA-N 2 2 268.361 0.128 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCCN1C(=O)NC(C)(C)C1=O ZINC000631859242 370721353 /nfs/dbraw/zinc/72/13/53/370721353.db2.gz LKYHSBGISLNDFN-NXEZZACHSA-N 2 2 268.361 0.128 20 0 CCADLP O=C1[C@@H]([NH+]2CCC([NH2+]CCO)CC2)CCN1C1CCC1 ZINC000631863073 370723562 /nfs/dbraw/zinc/72/35/62/370723562.db2.gz XHXIRVWPUCPTTQ-AWEZNQCLSA-N 2 2 281.400 0.186 20 0 CCADLP OCC[NH2+]C1CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC000631864231 370724808 /nfs/dbraw/zinc/72/48/08/370724808.db2.gz KMENBJVLHYPJMT-CQSZACIVSA-N 2 2 272.389 0.228 20 0 CCADLP FC(F)[C@H]1CC[N@H+](C[C@@H]2C[NH2+]CCO2)CCO1 ZINC000631866253 370726260 /nfs/dbraw/zinc/72/62/60/370726260.db2.gz VSNPBDNAFPEORP-VHSXEESVSA-N 2 2 250.289 0.331 20 0 CCADLP FC(F)[C@H]1CC[N@@H+](C[C@@H]2C[NH2+]CCO2)CCO1 ZINC000631866253 370726263 /nfs/dbraw/zinc/72/62/63/370726263.db2.gz VSNPBDNAFPEORP-VHSXEESVSA-N 2 2 250.289 0.331 20 0 CCADLP O=S1(=O)CCC[C@@H](C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)C1 ZINC000631867400 370727156 /nfs/dbraw/zinc/72/71/56/370727156.db2.gz STNQIQAERPKKKC-XQQFMLRXSA-N 2 2 272.414 0.543 20 0 CCADLP O=C(CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)N1CCOCC1 ZINC000631885626 370736440 /nfs/dbraw/zinc/73/64/40/370736440.db2.gz ACDLDDZMNMIJIT-UONOGXRCSA-N 2 2 281.400 0.309 20 0 CCADLP O=C(CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)N1CCOCC1 ZINC000631885626 370736446 /nfs/dbraw/zinc/73/64/46/370736446.db2.gz ACDLDDZMNMIJIT-UONOGXRCSA-N 2 2 281.400 0.309 20 0 CCADLP COCCCNC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631890866 370740134 /nfs/dbraw/zinc/74/01/34/370740134.db2.gz TVZQKSUDPXEHQW-OLZOCXBDSA-N 2 2 269.389 0.213 20 0 CCADLP COCCCNC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631890866 370740136 /nfs/dbraw/zinc/74/01/36/370740136.db2.gz TVZQKSUDPXEHQW-OLZOCXBDSA-N 2 2 269.389 0.213 20 0 CCADLP CC1(C)C[NH+](CC(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)C1 ZINC000614090529 364499264 /nfs/dbraw/zinc/49/92/64/364499264.db2.gz PACRSLRJIYYJIL-CHWSQXEVSA-N 2 2 283.391 0.973 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000614091593 364499366 /nfs/dbraw/zinc/49/93/66/364499366.db2.gz WJWLQHLQXNQLRK-RYUDHWBXSA-N 2 2 266.320 0.528 20 0 CCADLP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000615304328 364913268 /nfs/dbraw/zinc/91/32/68/364913268.db2.gz LGUNOLAHOSOBNO-ZYHUDNBSSA-N 2 2 250.346 0.893 20 0 CCADLP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000615304328 364913277 /nfs/dbraw/zinc/91/32/77/364913277.db2.gz LGUNOLAHOSOBNO-ZYHUDNBSSA-N 2 2 250.346 0.893 20 0 CCADLP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000615305016 364914893 /nfs/dbraw/zinc/91/48/93/364914893.db2.gz QLKQLRZFBBWWFB-BZPMIXESSA-N 2 2 293.415 0.574 20 0 CCADLP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000615305018 364915322 /nfs/dbraw/zinc/91/53/22/364915322.db2.gz QLKQLRZFBBWWFB-DYEKYZERSA-N 2 2 293.415 0.574 20 0 CCADLP C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000615262556 364897584 /nfs/dbraw/zinc/89/75/84/364897584.db2.gz BPBRAFJKXNKMJU-CHWSQXEVSA-N 2 2 292.383 0.664 20 0 CCADLP C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000615262556 364897590 /nfs/dbraw/zinc/89/75/90/364897590.db2.gz BPBRAFJKXNKMJU-CHWSQXEVSA-N 2 2 292.383 0.664 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@H](O)C2CCC2)C[C@@H](C)O1 ZINC000564975616 291328847 /nfs/dbraw/zinc/32/88/47/291328847.db2.gz PVZHIZFXJPIILM-GBOPCIDUSA-N 2 2 286.416 0.207 20 0 CCADLP CC(C)OC[C@@H](O)C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000564975688 291328862 /nfs/dbraw/zinc/32/88/62/291328862.db2.gz MCEVKHYWQVYPKQ-KGLIPLIRSA-N 2 2 274.405 0.209 20 0 CCADLP CC(C)OC[C@@H](O)C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000564975688 291328863 /nfs/dbraw/zinc/32/88/63/291328863.db2.gz MCEVKHYWQVYPKQ-KGLIPLIRSA-N 2 2 274.405 0.209 20 0 CCADLP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000615311975 364917346 /nfs/dbraw/zinc/91/73/46/364917346.db2.gz DMTIWXUMHVCRQN-FRRDWIJNSA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CN(C)C(=O)O2)CC[N@@H+]1C ZINC000496559198 240182746 /nfs/dbraw/zinc/18/27/46/240182746.db2.gz OOKBKUZUMKIUPR-UTUOFQBUSA-N 2 2 255.362 0.852 20 0 CCADLP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CN(C)C(=O)O2)CC[N@H+]1C ZINC000496559198 240182762 /nfs/dbraw/zinc/18/27/62/240182762.db2.gz OOKBKUZUMKIUPR-UTUOFQBUSA-N 2 2 255.362 0.852 20 0 CCADLP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CN(C)C(=O)O2)CC[NH+]1C ZINC000496559198 240182770 /nfs/dbraw/zinc/18/27/70/240182770.db2.gz OOKBKUZUMKIUPR-UTUOFQBUSA-N 2 2 255.362 0.852 20 0 CCADLP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CN(C)C(=O)O2)CC[NH+]1C ZINC000496559198 240182779 /nfs/dbraw/zinc/18/27/79/240182779.db2.gz OOKBKUZUMKIUPR-UTUOFQBUSA-N 2 2 255.362 0.852 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000565037498 291338727 /nfs/dbraw/zinc/33/87/27/291338727.db2.gz XNRDNBZSJAWNCC-SECBINFHSA-N 2 2 258.272 0.339 20 0 CCADLP C[NH+](C)C1(CNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000616341126 365275442 /nfs/dbraw/zinc/27/54/42/365275442.db2.gz LCUGNRBRPXPUDY-JTQLQIEISA-N 2 2 262.357 0.725 20 0 CCADLP C[NH+](C)C1(CNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000616341126 365275448 /nfs/dbraw/zinc/27/54/48/365275448.db2.gz LCUGNRBRPXPUDY-JTQLQIEISA-N 2 2 262.357 0.725 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000656118528 412744857 /nfs/dbraw/zinc/74/48/57/412744857.db2.gz PYXVGRMAAWEGHQ-WDEREUQCSA-N 2 2 293.371 0.103 20 0 CCADLP C[C@@H](C(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO)[NH+](C)C ZINC000616867193 365463893 /nfs/dbraw/zinc/46/38/93/365463893.db2.gz PXIOXRRWPGCALA-WDEREUQCSA-N 2 2 282.388 0.546 20 0 CCADLP C[C@@H](C(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO)[NH+](C)C ZINC000616867192 365464910 /nfs/dbraw/zinc/46/49/10/365464910.db2.gz PXIOXRRWPGCALA-QWRGUYRKSA-N 2 2 282.388 0.546 20 0 CCADLP Cc1c[nH+]c(C)nc1NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000656130662 412746930 /nfs/dbraw/zinc/74/69/30/412746930.db2.gz XASPHWRIOWBBCG-AWEZNQCLSA-N 2 2 280.372 0.589 20 0 CCADLP C[C@@H](C(=O)N(C)CC1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000505720521 241158126 /nfs/dbraw/zinc/15/81/26/241158126.db2.gz PJMWCYDKXBSUOU-ZDUSSCGKSA-N 2 2 283.416 0.507 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3ccncc3Cl)CCN2C1=O ZINC000565238376 291365308 /nfs/dbraw/zinc/36/53/08/291365308.db2.gz HGGWTKHVPSUOTJ-JQWIXIFHSA-N 2 2 280.759 0.479 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3ccncc3Cl)CCN2C1=O ZINC000565238376 291365312 /nfs/dbraw/zinc/36/53/12/291365312.db2.gz HGGWTKHVPSUOTJ-JQWIXIFHSA-N 2 2 280.759 0.479 20 0 CCADLP CN(C(=O)[C@H]1COCC[N@@H+]1C1CCCC1)[C@H]1CC[NH2+]C1 ZINC000565303152 291370703 /nfs/dbraw/zinc/37/07/03/291370703.db2.gz RNRIYFWWNXDZJP-UONOGXRCSA-N 2 2 281.400 0.450 20 0 CCADLP CN(C(=O)[C@H]1COCC[N@H+]1C1CCCC1)[C@H]1CC[NH2+]C1 ZINC000565303152 291370705 /nfs/dbraw/zinc/37/07/05/291370705.db2.gz RNRIYFWWNXDZJP-UONOGXRCSA-N 2 2 281.400 0.450 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000622124605 367047123 /nfs/dbraw/zinc/04/71/23/367047123.db2.gz PFMAATPVTODNHN-UHFFFAOYSA-N 2 2 280.372 0.190 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000622381358 367141904 /nfs/dbraw/zinc/14/19/04/367141904.db2.gz MLNAXXLHBNWMAK-UHFFFAOYSA-N 2 2 288.355 0.274 20 0 CCADLP CN(C)[C@@H](C(=O)N(C)CC[NH+](C)C)c1c[nH+]cn1C ZINC000622409039 367151230 /nfs/dbraw/zinc/15/12/30/367151230.db2.gz TZHVMZGUUGNMSZ-GFCCVEGCSA-N 2 2 267.377 0.043 20 0 CCADLP CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623178982 367467766 /nfs/dbraw/zinc/46/77/66/367467766.db2.gz PMRORNBPZCLJPB-VXGBXAGGSA-N 2 2 276.384 0.950 20 0 CCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1Cc3c[nH+]cn3C1)CC2 ZINC000623259093 367496457 /nfs/dbraw/zinc/49/64/57/367496457.db2.gz QTDKOXOTLXDHKB-VXGBXAGGSA-N 2 2 285.351 0.692 20 0 CCADLP [NH3+]C[C@H]1CCCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623175721 367463044 /nfs/dbraw/zinc/46/30/44/367463044.db2.gz JMQBOXGKFFMANN-NWDGAFQWSA-N 2 2 262.357 0.785 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000623167503 367463170 /nfs/dbraw/zinc/46/31/70/367463170.db2.gz SUOSLODMQMBZOC-JTQLQIEISA-N 2 2 292.339 0.239 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000623167503 367463179 /nfs/dbraw/zinc/46/31/79/367463179.db2.gz SUOSLODMQMBZOC-JTQLQIEISA-N 2 2 292.339 0.239 20 0 CCADLP CC1(C)C[NH2+]CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623176100 367464499 /nfs/dbraw/zinc/46/44/99/367464499.db2.gz FBELRYKZZQTWNU-NSHDSACASA-N 2 2 262.357 0.656 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H](C)[NH2+]1 ZINC000623176146 367464716 /nfs/dbraw/zinc/46/47/16/367464716.db2.gz IHTIUFUIUOJAQR-GRYCIOLGSA-N 2 2 262.357 0.654 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623177359 367465589 /nfs/dbraw/zinc/46/55/89/367465589.db2.gz UDLWLZXTXCRRIA-IJLUTSLNSA-N 2 2 262.357 0.560 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623177360 367466262 /nfs/dbraw/zinc/46/62/62/367466262.db2.gz UDLWLZXTXCRRIA-UTUOFQBUSA-N 2 2 262.357 0.560 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)NCCC[NH+](C)C ZINC000623366251 367547116 /nfs/dbraw/zinc/54/71/16/367547116.db2.gz RXLGIUYQXALQHB-UHFFFAOYSA-N 2 2 253.350 0.654 20 0 CCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H]1COCC[NH+]1C ZINC000623573901 367595135 /nfs/dbraw/zinc/59/51/35/367595135.db2.gz ZTSJXRHZXZJTDD-OLZOCXBDSA-N 2 2 286.420 0.347 20 0 CCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1COCC[NH+]1C ZINC000623573901 367595142 /nfs/dbraw/zinc/59/51/42/367595142.db2.gz ZTSJXRHZXZJTDD-OLZOCXBDSA-N 2 2 286.420 0.347 20 0 CCADLP CC[C@@H](C)[NH+](C)CCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623573901 367595148 /nfs/dbraw/zinc/59/51/48/367595148.db2.gz ZTSJXRHZXZJTDD-OLZOCXBDSA-N 2 2 286.420 0.347 20 0 CCADLP CC[C@@H](C)[NH+](C)CCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623573901 367595157 /nfs/dbraw/zinc/59/51/57/367595157.db2.gz ZTSJXRHZXZJTDD-OLZOCXBDSA-N 2 2 286.420 0.347 20 0 CCADLP CC[NH+]1CCC(NC(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000623705166 367623858 /nfs/dbraw/zinc/62/38/58/367623858.db2.gz JDZHKZFILHUYMF-CYBMUJFWSA-N 2 2 284.404 0.101 20 0 CCADLP CC[NH+]1CCC(NC(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000623705166 367623863 /nfs/dbraw/zinc/62/38/63/367623863.db2.gz JDZHKZFILHUYMF-CYBMUJFWSA-N 2 2 284.404 0.101 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NCc1cccnc1 ZINC000566302665 291392506 /nfs/dbraw/zinc/39/25/06/291392506.db2.gz FYJLVUIRTDMGLL-INIZCTEOSA-N 2 2 288.395 0.773 20 0 CCADLP O=C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NCc1cccnc1 ZINC000566302665 291392509 /nfs/dbraw/zinc/39/25/09/291392509.db2.gz FYJLVUIRTDMGLL-INIZCTEOSA-N 2 2 288.395 0.773 20 0 CCADLP Cc1ccccc1C[NH+]1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000623803832 367663727 /nfs/dbraw/zinc/66/37/27/367663727.db2.gz UDZNCLUXQKXBQH-UHFFFAOYSA-N 2 2 299.382 0.327 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1COC2(CCC2)C1 ZINC000624086345 367748831 /nfs/dbraw/zinc/74/88/31/367748831.db2.gz BWOCEYDMCAZLLA-STQMWFEESA-N 2 2 281.400 0.627 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1COC2(CCC2)C1 ZINC000624086345 367748839 /nfs/dbraw/zinc/74/88/39/367748839.db2.gz BWOCEYDMCAZLLA-STQMWFEESA-N 2 2 281.400 0.627 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1COCC[NH+]1C ZINC000624087350 367749432 /nfs/dbraw/zinc/74/94/32/367749432.db2.gz SFMDYAWWYRGHRN-CHWSQXEVSA-N 2 2 286.420 0.345 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1COCC[NH+]1C ZINC000624087350 367749437 /nfs/dbraw/zinc/74/94/37/367749437.db2.gz SFMDYAWWYRGHRN-CHWSQXEVSA-N 2 2 286.420 0.345 20 0 CCADLP CC(C)[NH+](C)C[C@@H](C)NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000624087350 367749445 /nfs/dbraw/zinc/74/94/45/367749445.db2.gz SFMDYAWWYRGHRN-CHWSQXEVSA-N 2 2 286.420 0.345 20 0 CCADLP CC(C)[NH+](C)C[C@@H](C)NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000624087350 367749451 /nfs/dbraw/zinc/74/94/51/367749451.db2.gz SFMDYAWWYRGHRN-CHWSQXEVSA-N 2 2 286.420 0.345 20 0 CCADLP Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)nc(N(C)C)[nH+]1 ZINC000624257044 367812503 /nfs/dbraw/zinc/81/25/03/367812503.db2.gz QTWKMAZFJLYJSN-URLYPYJESA-N 2 2 262.361 0.242 20 0 CCADLP Cc1nc(N(C)C)nc(N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)[nH+]1 ZINC000624257044 367812507 /nfs/dbraw/zinc/81/25/07/367812507.db2.gz QTWKMAZFJLYJSN-URLYPYJESA-N 2 2 262.361 0.242 20 0 CCADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cn[nH]c2)CC1 ZINC000624216059 367793450 /nfs/dbraw/zinc/79/34/50/367793450.db2.gz QEMGOFQGGZBPJE-UHFFFAOYSA-N 2 2 286.383 0.846 20 0 CCADLP C[C@@H](CC1CCOCC1)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624228499 367796408 /nfs/dbraw/zinc/79/64/08/367796408.db2.gz UHJPTLSDTFYTRY-GXTWGEPZSA-N 2 2 256.390 0.848 20 0 CCADLP C[C@@H](CC1CCOCC1)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624228499 367796410 /nfs/dbraw/zinc/79/64/10/367796410.db2.gz UHJPTLSDTFYTRY-GXTWGEPZSA-N 2 2 256.390 0.848 20 0 CCADLP O[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCc3cccnc3CC2)C1 ZINC000624231376 367797604 /nfs/dbraw/zinc/79/76/04/367797604.db2.gz XXNKMGFDSIXPCZ-HUUCEWRRSA-N 2 2 275.396 0.985 20 0 CCADLP O[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCc3cccnc3CC2)C1 ZINC000624231376 367797606 /nfs/dbraw/zinc/79/76/06/367797606.db2.gz XXNKMGFDSIXPCZ-HUUCEWRRSA-N 2 2 275.396 0.985 20 0 CCADLP O[C@@H]1CCN(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000624230986 367798680 /nfs/dbraw/zinc/79/86/80/367798680.db2.gz MSPGKWBHNJGYRP-CVEARBPZSA-N 2 2 297.443 0.286 20 0 CCADLP CC(=O)NC1CCC([NH2+]CC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000624230463 367799134 /nfs/dbraw/zinc/79/91/34/367799134.db2.gz ZFBKDTPODMCSSZ-JXQTWKCFSA-N 2 2 269.389 0.090 20 0 CCADLP CC(=O)NC1CCC([NH2+]CC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000624230463 367799138 /nfs/dbraw/zinc/79/91/38/367799138.db2.gz ZFBKDTPODMCSSZ-JXQTWKCFSA-N 2 2 269.389 0.090 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNc1cc[nH+]c(N2CCCCC2)n1 ZINC000624620581 367932741 /nfs/dbraw/zinc/93/27/41/367932741.db2.gz HDASKRAOXNLBCT-ZDUSSCGKSA-N 2 2 291.399 0.631 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNc1cc[nH+]c(N2CCCCC2)n1 ZINC000624620581 367932747 /nfs/dbraw/zinc/93/27/47/367932747.db2.gz HDASKRAOXNLBCT-ZDUSSCGKSA-N 2 2 291.399 0.631 20 0 CCADLP C[C@@H](C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)[NH+]1CC(C)C1 ZINC000566444594 291407244 /nfs/dbraw/zinc/40/72/44/291407244.db2.gz IQZGPZMUTHFOLR-LSDHHAIUSA-N 2 2 295.427 0.650 20 0 CCADLP CC(C)(C)n1nnc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])n1 ZINC000656200760 412763138 /nfs/dbraw/zinc/76/31/38/412763138.db2.gz PXOXIVQVQBRIIF-UWVGGRQHSA-N 2 2 252.366 0.645 20 0 CCADLP c1cnn(CC[NH+]2CCC([NH+]3CCOCC3)CC2)c1 ZINC000625544940 368238234 /nfs/dbraw/zinc/23/82/34/368238234.db2.gz HKCHTPCQXQGXSE-UHFFFAOYSA-N 2 2 264.373 0.680 20 0 CCADLP COCCOCC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625546796 368239330 /nfs/dbraw/zinc/23/93/30/368239330.db2.gz SXRWBSHZNUPBMR-UHFFFAOYSA-N 2 2 272.389 0.446 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC[C@H]1CCC[N@H+]1C)CC2 ZINC000625566128 368249719 /nfs/dbraw/zinc/24/97/19/368249719.db2.gz GCFQEVRYUQOBAQ-QWHCGFSZSA-N 2 2 276.384 0.964 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1C)CC2 ZINC000625566128 368249723 /nfs/dbraw/zinc/24/97/23/368249723.db2.gz GCFQEVRYUQOBAQ-QWHCGFSZSA-N 2 2 276.384 0.964 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000625449588 368205836 /nfs/dbraw/zinc/20/58/36/368205836.db2.gz KZZNBMLDLMIPFF-UHFFFAOYSA-N 2 2 293.415 0.287 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000625449588 368205837 /nfs/dbraw/zinc/20/58/37/368205837.db2.gz KZZNBMLDLMIPFF-UHFFFAOYSA-N 2 2 293.415 0.287 20 0 CCADLP C[C@@H](NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)[C@H](C)[NH3+] ZINC000566505907 291419209 /nfs/dbraw/zinc/41/92/09/291419209.db2.gz UZZFDHWWQXNGHI-DTWKUNHWSA-N 2 2 275.312 0.125 20 0 CCADLP Cc1ccn2cc(CNC(=O)C3(C)C[NH2+]C3)[nH+]c2c1 ZINC000335506386 212190118 /nfs/dbraw/zinc/19/01/18/212190118.db2.gz ZLSFGJRUKNCUKE-UHFFFAOYSA-N 2 2 258.325 0.868 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625777146 368328033 /nfs/dbraw/zinc/32/80/33/368328033.db2.gz AOZXICNTTODFFC-MCIONIFRSA-N 2 2 288.457 0.895 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625777146 368328035 /nfs/dbraw/zinc/32/80/35/368328035.db2.gz AOZXICNTTODFFC-MCIONIFRSA-N 2 2 288.457 0.895 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625777146 368328038 /nfs/dbraw/zinc/32/80/38/368328038.db2.gz AOZXICNTTODFFC-MCIONIFRSA-N 2 2 288.457 0.895 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625777146 368328042 /nfs/dbraw/zinc/32/80/42/368328042.db2.gz AOZXICNTTODFFC-MCIONIFRSA-N 2 2 288.457 0.895 20 0 CCADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H]1C(N)=O ZINC000625872733 368353508 /nfs/dbraw/zinc/35/35/08/368353508.db2.gz DUKKOTBLLMZQCD-GJZGRUSLSA-N 2 2 291.395 0.429 20 0 CCADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@H]1C(N)=O ZINC000625872733 368353513 /nfs/dbraw/zinc/35/35/13/368353513.db2.gz DUKKOTBLLMZQCD-GJZGRUSLSA-N 2 2 291.395 0.429 20 0 CCADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@H]1C(N)=O ZINC000625872733 368353517 /nfs/dbraw/zinc/35/35/17/368353517.db2.gz DUKKOTBLLMZQCD-GJZGRUSLSA-N 2 2 291.395 0.429 20 0 CCADLP COCCOCC[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000625959783 368375513 /nfs/dbraw/zinc/37/55/13/368375513.db2.gz WNFWRNLIHIFXCB-UHFFFAOYSA-N 2 2 286.416 0.836 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335559636 284052189 /nfs/dbraw/zinc/05/21/89/284052189.db2.gz QMNDBISIZNEQGI-VXGBXAGGSA-N 2 2 274.368 0.798 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335559636 284052190 /nfs/dbraw/zinc/05/21/90/284052190.db2.gz QMNDBISIZNEQGI-VXGBXAGGSA-N 2 2 274.368 0.798 20 0 CCADLP CC(=O)NC[C@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000626159007 368464469 /nfs/dbraw/zinc/46/44/69/368464469.db2.gz FQUDPDQNZCRXNQ-HUUCEWRRSA-N 2 2 285.432 0.678 20 0 CCADLP CC(=O)NC[C@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC000626159007 368464474 /nfs/dbraw/zinc/46/44/74/368464474.db2.gz FQUDPDQNZCRXNQ-HUUCEWRRSA-N 2 2 285.432 0.678 20 0 CCADLP CC(=O)NC[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000626159007 368464477 /nfs/dbraw/zinc/46/44/77/368464477.db2.gz FQUDPDQNZCRXNQ-HUUCEWRRSA-N 2 2 285.432 0.678 20 0 CCADLP CC(=O)NC[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000626159007 368464479 /nfs/dbraw/zinc/46/44/79/368464479.db2.gz FQUDPDQNZCRXNQ-HUUCEWRRSA-N 2 2 285.432 0.678 20 0 CCADLP O=C([C@H]1CC[NH2+]CC1(F)F)N1CCn2cc[nH+]c2C1 ZINC000342766531 296124846 /nfs/dbraw/zinc/12/48/46/296124846.db2.gz VSZYOPPGNVTIGY-SECBINFHSA-N 2 2 270.283 0.470 20 0 CCADLP CN(Cc1cnc(Cl)s1)C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001157853561 801501570 /nfs/dbraw/zinc/50/15/70/801501570.db2.gz GUGXQGWAAJMMOK-YUMQZZPRSA-N 2 2 274.777 0.302 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000626970576 368704156 /nfs/dbraw/zinc/70/41/56/368704156.db2.gz PTOWTJDPYDUJQS-RFQIPJPRSA-N 2 2 298.431 0.535 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000626985476 368714637 /nfs/dbraw/zinc/71/46/37/368714637.db2.gz VNCLQTHYRHFSHA-LLVKDONJSA-N 2 2 265.361 0.700 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000626920722 368678869 /nfs/dbraw/zinc/67/88/69/368678869.db2.gz JZOFKGVJZWBSNP-NWDGAFQWSA-N 2 2 284.404 0.147 20 0 CCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@@H]1CC[NH2+]C1 ZINC000626939005 368687899 /nfs/dbraw/zinc/68/78/99/368687899.db2.gz OPESKPUUZGBDKX-LLVKDONJSA-N 2 2 277.372 0.423 20 0 CCADLP CC[NH2+]CCCNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000566845178 291441657 /nfs/dbraw/zinc/44/16/57/291441657.db2.gz XDVSJBWLQAGNIP-UHFFFAOYSA-N 2 2 286.420 0.396 20 0 CCADLP C[C@@H]1[C@H](C)N(S(=O)(=O)CC2([NH+](C)C)CC2)CC[N@H+]1C ZINC000632174166 370906117 /nfs/dbraw/zinc/90/61/17/370906117.db2.gz SSDZKAJNUORDLT-NEPJUHHUSA-N 2 2 289.445 0.435 20 0 CCADLP C[C@@H]1[C@H](C)N(S(=O)(=O)CC2([NH+](C)C)CC2)CC[N@@H+]1C ZINC000632174166 370906119 /nfs/dbraw/zinc/90/61/19/370906119.db2.gz SSDZKAJNUORDLT-NEPJUHHUSA-N 2 2 289.445 0.435 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)NCC1([NH3+])CCOCC1 ZINC000627043455 368752395 /nfs/dbraw/zinc/75/23/95/368752395.db2.gz SNRMHBWOQMAQQV-UHFFFAOYSA-N 2 2 294.355 0.397 20 0 CCADLP Cc1cc(CNC(=O)NCCOCCC[NH3+])cc(C)[nH+]1 ZINC000627106032 368800393 /nfs/dbraw/zinc/80/03/93/368800393.db2.gz OOYGIPNUNXXIBA-UHFFFAOYSA-N 2 2 280.372 0.863 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCCOCCC[NH3+])C1 ZINC000627216149 368887298 /nfs/dbraw/zinc/88/72/98/368887298.db2.gz OPUMNYYHAZSSEM-LBPRGKRZSA-N 2 2 295.387 0.284 20 0 CCADLP CCCN(C(=O)NC[C@H]1COCC[N@@H+]1C)C1CC[NH2+]CC1 ZINC000627184046 368852661 /nfs/dbraw/zinc/85/26/61/368852661.db2.gz RAMOQBWPEAHQMA-AWEZNQCLSA-N 2 2 298.431 0.491 20 0 CCADLP CCCN(C(=O)NC[C@H]1COCC[N@H+]1C)C1CC[NH2+]CC1 ZINC000627184046 368852662 /nfs/dbraw/zinc/85/26/62/368852662.db2.gz RAMOQBWPEAHQMA-AWEZNQCLSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C[C@H]21 ZINC000627653584 369065840 /nfs/dbraw/zinc/06/58/40/369065840.db2.gz UBBFTKOGRZZFAV-NHAGDIPZSA-N 2 2 297.362 0.899 20 0 CCADLP CC[C@@H](C(N)=O)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000330635170 203062233 /nfs/dbraw/zinc/06/22/33/203062233.db2.gz ADTNBWWVONRCMO-LBPRGKRZSA-N 2 2 285.388 0.459 20 0 CCADLP CC1(C)CN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)CC[NH2+]1 ZINC000574320958 335010314 /nfs/dbraw/zinc/01/03/14/335010314.db2.gz APTSZKUHWVZVHX-SNVBAGLBSA-N 2 2 277.372 0.311 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000330719417 203150192 /nfs/dbraw/zinc/15/01/92/203150192.db2.gz AZNMIDINXZWZQX-UHFFFAOYSA-N 2 2 279.388 0.394 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000330719417 203150194 /nfs/dbraw/zinc/15/01/94/203150194.db2.gz AZNMIDINXZWZQX-UHFFFAOYSA-N 2 2 279.388 0.394 20 0 CCADLP C[C@@H](CC(=O)NC[C@H]1COCC[N@@H+]1C)n1cc[nH+]c1 ZINC000628913752 369448675 /nfs/dbraw/zinc/44/86/75/369448675.db2.gz WALKOWXBBRJVKE-RYUDHWBXSA-N 2 2 266.345 0.281 20 0 CCADLP C[C@@H](CC(=O)NC[C@H]1COCC[N@H+]1C)n1cc[nH+]c1 ZINC000628913752 369448679 /nfs/dbraw/zinc/44/86/79/369448679.db2.gz WALKOWXBBRJVKE-RYUDHWBXSA-N 2 2 266.345 0.281 20 0 CCADLP C[NH+](C)[C@H](C(=O)NCC[N@@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000629174724 369556354 /nfs/dbraw/zinc/55/63/54/369556354.db2.gz WJAPSEWMTJUXQR-CABCVRRESA-N 2 2 291.395 0.472 20 0 CCADLP C[NH+](C)[C@H](C(=O)NCC[N@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000629174724 369556359 /nfs/dbraw/zinc/55/63/59/369556359.db2.gz WJAPSEWMTJUXQR-CABCVRRESA-N 2 2 291.395 0.472 20 0 CCADLP CCOc1ccccc1NC(=O)C[N@H+](C)CCOCC[NH3+] ZINC000629573758 369717891 /nfs/dbraw/zinc/71/78/91/369717891.db2.gz ACAJPFRCXWYBEF-UHFFFAOYSA-N 2 2 295.383 0.931 20 0 CCADLP CCOc1ccccc1NC(=O)C[N@@H+](C)CCOCC[NH3+] ZINC000629573758 369717894 /nfs/dbraw/zinc/71/78/94/369717894.db2.gz ACAJPFRCXWYBEF-UHFFFAOYSA-N 2 2 295.383 0.931 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@H+](C)CCOCC[NH3+])n1 ZINC000629577449 369718800 /nfs/dbraw/zinc/71/88/00/369718800.db2.gz IIWHOXSLCXTWMD-UHFFFAOYSA-N 2 2 254.334 0.152 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@@H+](C)CCOCC[NH3+])n1 ZINC000629577449 369718802 /nfs/dbraw/zinc/71/88/02/369718802.db2.gz IIWHOXSLCXTWMD-UHFFFAOYSA-N 2 2 254.334 0.152 20 0 CCADLP [NH3+]CCCOCC[NH2+][C@@H](c1cnn[nH]1)c1ccc(F)cc1 ZINC000629535687 369694540 /nfs/dbraw/zinc/69/45/40/369694540.db2.gz DAJNVTQGEWOCMP-CQSZACIVSA-N 2 2 293.346 0.988 20 0 CCADLP [NH3+]CCCOCC[NH2+][C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000629539319 369696460 /nfs/dbraw/zinc/69/64/60/369696460.db2.gz PQYXNMGHNCFGEV-ZDUSSCGKSA-N 2 2 293.346 0.988 20 0 CCADLP O[C@H]1CC[N@H+](CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000629555908 369704683 /nfs/dbraw/zinc/70/46/83/369704683.db2.gz ILTXKZQHDINWMU-FQUUOJAGSA-N 3 2 253.390 0.031 20 0 CCADLP O[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000629555908 369704687 /nfs/dbraw/zinc/70/46/87/369704687.db2.gz ILTXKZQHDINWMU-FQUUOJAGSA-N 3 2 253.390 0.031 20 0 CCADLP COCc1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)o1 ZINC000629649531 369747374 /nfs/dbraw/zinc/74/73/74/369747374.db2.gz VDYGOMOPCOIORJ-CYBMUJFWSA-N 2 2 254.330 0.894 20 0 CCADLP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH+]1CCOCC1 ZINC000629958565 369854455 /nfs/dbraw/zinc/85/44/55/369854455.db2.gz NUCQNHWOYSPMSC-OLZOCXBDSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)[C@H](C)[NH+]1CCOCC1 ZINC000629958565 369854458 /nfs/dbraw/zinc/85/44/58/369854458.db2.gz NUCQNHWOYSPMSC-OLZOCXBDSA-N 2 2 283.416 0.696 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000630023833 369901142 /nfs/dbraw/zinc/90/11/42/369901142.db2.gz RQNXWCYTRZGKGL-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000630023833 369901147 /nfs/dbraw/zinc/90/11/47/369901147.db2.gz RQNXWCYTRZGKGL-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+]1CCCC[C@H]1CCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000630023833 369901150 /nfs/dbraw/zinc/90/11/50/369901150.db2.gz RQNXWCYTRZGKGL-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+]1CCCC[C@H]1CCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000630023833 369901155 /nfs/dbraw/zinc/90/11/55/369901155.db2.gz RQNXWCYTRZGKGL-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP OC[C@@H]1CCCCN1c1cc(NC2CC[NH2+]CC2)[nH+]cn1 ZINC000630554422 370166754 /nfs/dbraw/zinc/16/67/54/370166754.db2.gz ZTKBJXKIQSBTQQ-ZDUSSCGKSA-N 2 2 291.399 0.992 20 0 CCADLP OC[C@@H]1CCCCN1c1cc(NC2CC[NH2+]CC2)nc[nH+]1 ZINC000630554422 370166757 /nfs/dbraw/zinc/16/67/57/370166757.db2.gz ZTKBJXKIQSBTQQ-ZDUSSCGKSA-N 2 2 291.399 0.992 20 0 CCADLP CCCCNc1cc(N2C[C@@H]3C[C@H]2C[NH2+]3)nc(N)[nH+]1 ZINC000630555767 370168617 /nfs/dbraw/zinc/16/86/17/370168617.db2.gz TZXZRAQNWXKLHE-UWVGGRQHSA-N 2 2 262.361 0.652 20 0 CCADLP Cn1c2cc(F)ccc2[nH+]c1NC[C@@H]1COCC[NH2+]1 ZINC000630532744 370152451 /nfs/dbraw/zinc/15/24/51/370152451.db2.gz MJUJJQYWLJCSCM-SNVBAGLBSA-N 2 2 264.304 0.535 20 0 CCADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000631030588 370362783 /nfs/dbraw/zinc/36/27/83/370362783.db2.gz XAWUCZXMBGBZCI-CYBMUJFWSA-N 2 2 295.431 0.992 20 0 CCADLP c1c(C[NH2+]CCC[NH+]2CCCC2)nnn1C[C@H]1CCOC1 ZINC000631036078 370365170 /nfs/dbraw/zinc/36/51/70/370365170.db2.gz WAGIIKWZBKSNDL-CQSZACIVSA-N 2 2 293.415 0.890 20 0 CCADLP Cc1ccc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)c(F)c1 ZINC000631054407 370369203 /nfs/dbraw/zinc/36/92/03/370369203.db2.gz OOBVIPUBYZUYAA-UHFFFAOYSA-N 2 2 279.359 0.998 20 0 CCADLP Cc1nc(NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)nc(N)[nH+]1 ZINC000631055001 370369601 /nfs/dbraw/zinc/36/96/01/370369601.db2.gz DEIYLGUMGCDQSH-LLVKDONJSA-N 2 2 298.394 0.873 20 0 CCADLP Cc1nc(NC[C@@H](C)[N@H+]2CCc3ccccc3C2)nc(N)[nH+]1 ZINC000631055001 370369609 /nfs/dbraw/zinc/36/96/09/370369609.db2.gz DEIYLGUMGCDQSH-LLVKDONJSA-N 2 2 298.394 0.873 20 0 CCADLP Cc1nc(NC2CCN(CC[NH+](C)C)CC2)nc(N)[nH+]1 ZINC000631058393 370371599 /nfs/dbraw/zinc/37/15/99/370371599.db2.gz FCDBOTSGSYPHIY-UHFFFAOYSA-N 2 2 279.392 0.030 20 0 CCADLP O=c1ccc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c[nH]1 ZINC000631146970 370400573 /nfs/dbraw/zinc/40/05/73/370400573.db2.gz MTNFUSTZUDJVLV-ZDUSSCGKSA-N 2 2 265.357 0.724 20 0 CCADLP O=c1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c[nH]1 ZINC000631146970 370400578 /nfs/dbraw/zinc/40/05/78/370400578.db2.gz MTNFUSTZUDJVLV-ZDUSSCGKSA-N 2 2 265.357 0.724 20 0 CCADLP COc1ccnc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])n1 ZINC000567674524 291500584 /nfs/dbraw/zinc/50/05/84/291500584.db2.gz OSZOFUTXBUFDIK-OUAUKWLOSA-N 2 2 266.345 0.327 20 0 CCADLP COCC(C)(C)[NH+]1CCN(c2nc(C)[nH+]c(N)n2)CC1 ZINC000631308698 370466372 /nfs/dbraw/zinc/46/63/72/370466372.db2.gz FXCRBSDRSCILFD-UHFFFAOYSA-N 2 2 280.376 0.140 20 0 CCADLP CCc1nc(NCc2c[nH+]c(C)nc2N)cc(C)[nH+]1 ZINC000631315830 370470670 /nfs/dbraw/zinc/47/06/70/370470670.db2.gz YUJJKHZGYAWMBI-UHFFFAOYSA-N 2 2 258.329 0.892 20 0 CCADLP C[NH+](C)CCCS(=O)(=O)NCCCn1cc[nH+]c1 ZINC000631638268 370619774 /nfs/dbraw/zinc/61/97/74/370619774.db2.gz MNOPZARSWHFEFX-UHFFFAOYSA-N 2 2 274.390 0.144 20 0 CCADLP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632601226 371174948 /nfs/dbraw/zinc/17/49/48/371174948.db2.gz YVYMXZUNIKMGEH-UHFFFAOYSA-N 2 2 295.387 0.167 20 0 CCADLP Cc1cc(NC(=O)N2CCC([NH2+]CCO)CC2)c(C)c[nH+]1 ZINC000632928927 371328120 /nfs/dbraw/zinc/32/81/20/371328120.db2.gz WBZVJFKHLDZZTD-UHFFFAOYSA-N 2 2 292.383 0.699 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCC[NH+]3CCOCC3)C[C@H]21 ZINC000331967680 204344826 /nfs/dbraw/zinc/34/48/26/204344826.db2.gz QMAHOFCWBSWWQY-MGPQQGTHSA-N 2 2 296.415 0.087 20 0 CCADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCN1CCOCC1 ZINC000331972570 204349770 /nfs/dbraw/zinc/34/97/70/204349770.db2.gz JWTCSJHHBWVTJV-ZIAGYGMSSA-N 2 2 255.406 0.958 20 0 CCADLP [NH3+][C@@H]1CCCCC[C@H]1NCCC[NH+]1CCOCC1 ZINC000331972570 204349772 /nfs/dbraw/zinc/34/97/72/204349772.db2.gz JWTCSJHHBWVTJV-ZIAGYGMSSA-N 2 2 255.406 0.958 20 0 CCADLP O[C@@H](CN1CCOCC1)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000331977497 204353424 /nfs/dbraw/zinc/35/34/24/204353424.db2.gz XNFOKAWMYBWTPM-CQSZACIVSA-N 2 2 294.399 0.282 20 0 CCADLP C[NH+]1CCN(CCn2cc(C[NH+]3CCCCC3)nn2)CC1 ZINC000656438429 412792286 /nfs/dbraw/zinc/79/22/86/412792286.db2.gz XHIYLTIWENNYDB-UHFFFAOYSA-N 2 2 292.431 0.511 20 0 CCADLP C[C@@](O)(C[C@@H](O)C[NH2+]CCCn1cc[nH+]c1)C1CC1 ZINC000634636530 372112852 /nfs/dbraw/zinc/11/28/52/372112852.db2.gz DUPLMCRKTGNRBO-ZIAGYGMSSA-N 2 2 267.373 0.775 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCO[C@@H]2CCC[C@@H]21 ZINC000634738021 372180907 /nfs/dbraw/zinc/18/09/07/372180907.db2.gz FSKBMQXYYWMCSL-SDDRHHMPSA-N 2 2 255.362 0.045 20 0 CCADLP O[C@H](Cn1cc[nH+]c1C1CC1)C[NH+]1CCOCC1 ZINC000634650748 372123261 /nfs/dbraw/zinc/12/32/61/372123261.db2.gz UFKRINVZVJQFMK-LBPRGKRZSA-N 2 2 251.330 0.454 20 0 CCADLP C[C@H](O)[C@H]1CCN(c2cc(N3CCC[NH2+]CC3)nc[nH+]2)C1 ZINC000634807211 372246396 /nfs/dbraw/zinc/24/63/96/372246396.db2.gz BWHDMDYHBWWIFH-STQMWFEESA-N 2 2 291.399 0.483 20 0 CCADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[NH2+]CC3)nc[nH+]2)C1 ZINC000634807584 372247459 /nfs/dbraw/zinc/24/74/59/372247459.db2.gz UBDBVKQIXMPIPD-NWDGAFQWSA-N 2 2 277.372 0.093 20 0 CCADLP C[C@H]1C[C@H](Nc2[nH+]cnc(-n3cccn3)c2N)CC[NH2+]1 ZINC000634808035 372248141 /nfs/dbraw/zinc/24/81/41/372248141.db2.gz HYZMQLUKVXPHOA-VHSXEESVSA-N 2 2 273.344 0.797 20 0 CCADLP c1cn(-c2cc(N3CC[C@H](N4CC[NH2+]CC4)C3)ncn2)c[nH+]1 ZINC000634809236 372251486 /nfs/dbraw/zinc/25/14/86/372251486.db2.gz NHGHDFADICLCGO-ZDUSSCGKSA-N 2 2 299.382 0.146 20 0 CCADLP Cn1ncc2c1nc[nH+]c2N1CCC2(CC[NH2+]C2)CC1 ZINC000634810034 372253440 /nfs/dbraw/zinc/25/34/40/372253440.db2.gz KAGCLVLNQDZZOV-UHFFFAOYSA-N 2 2 272.356 0.943 20 0 CCADLP OC[C@H]1CCCCN1c1cc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[nH+]cn1 ZINC000634810391 372253707 /nfs/dbraw/zinc/25/37/07/372253707.db2.gz WGQYWASXQLZPOW-FJJYHAOUSA-N 2 2 289.383 0.458 20 0 CCADLP OC[C@H]1CCCCN1c1cc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)nc[nH+]1 ZINC000634810391 372253712 /nfs/dbraw/zinc/25/37/12/372253712.db2.gz WGQYWASXQLZPOW-FJJYHAOUSA-N 2 2 289.383 0.458 20 0 CCADLP CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634996182 372332120 /nfs/dbraw/zinc/33/21/20/372332120.db2.gz BVJJDSFDNFYNKD-NHNAUAITSA-N 2 2 291.317 0.739 20 0 CCADLP CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634996182 372332124 /nfs/dbraw/zinc/33/21/24/372332124.db2.gz BVJJDSFDNFYNKD-NHNAUAITSA-N 2 2 291.317 0.739 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004529 372340478 /nfs/dbraw/zinc/34/04/78/372340478.db2.gz IUOOUZJZRPNTAV-XDQVBPFNSA-N 3 2 255.406 0.861 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H](n1cncn1)C(F)(F)F ZINC000635016463 372347184 /nfs/dbraw/zinc/34/71/84/372347184.db2.gz BTIWNEHTIMFXMN-KXUCPTDWSA-N 2 2 277.294 0.969 20 0 CCADLP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635400469 372491287 /nfs/dbraw/zinc/49/12/87/372491287.db2.gz FSGGUBJSNUBBGY-IJLUTSLNSA-N 2 2 262.357 0.971 20 0 CCADLP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635400469 372491291 /nfs/dbraw/zinc/49/12/91/372491291.db2.gz FSGGUBJSNUBBGY-IJLUTSLNSA-N 2 2 262.357 0.971 20 0 CCADLP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635400469 372491294 /nfs/dbraw/zinc/49/12/94/372491294.db2.gz FSGGUBJSNUBBGY-IJLUTSLNSA-N 2 2 262.357 0.971 20 0 CCADLP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635400469 372491297 /nfs/dbraw/zinc/49/12/97/372491297.db2.gz FSGGUBJSNUBBGY-IJLUTSLNSA-N 2 2 262.357 0.971 20 0 CCADLP COCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635423201 372504567 /nfs/dbraw/zinc/50/45/67/372504567.db2.gz ZIXGMRDCZVGSAZ-CHWSQXEVSA-N 2 2 292.383 0.694 20 0 CCADLP COCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635423201 372504573 /nfs/dbraw/zinc/50/45/73/372504573.db2.gz ZIXGMRDCZVGSAZ-CHWSQXEVSA-N 2 2 292.383 0.694 20 0 CCADLP COCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000635423201 372504581 /nfs/dbraw/zinc/50/45/81/372504581.db2.gz ZIXGMRDCZVGSAZ-CHWSQXEVSA-N 2 2 292.383 0.694 20 0 CCADLP COCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000635423201 372504587 /nfs/dbraw/zinc/50/45/87/372504587.db2.gz ZIXGMRDCZVGSAZ-CHWSQXEVSA-N 2 2 292.383 0.694 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3C[C@@H](O)C3)CC2)CC1 ZINC000635459431 372529325 /nfs/dbraw/zinc/52/93/25/372529325.db2.gz ZEFAAGMEBHCSGA-JNSHFYNHSA-N 2 2 295.427 0.432 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Cn1cc[nH+]c1 ZINC000635591319 372663066 /nfs/dbraw/zinc/66/30/66/372663066.db2.gz CZAUTVXHFLTSRM-MCIONIFRSA-N 2 2 292.383 0.499 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1)Cn1cc[nH+]c1 ZINC000635591319 372663070 /nfs/dbraw/zinc/66/30/70/372663070.db2.gz CZAUTVXHFLTSRM-MCIONIFRSA-N 2 2 292.383 0.499 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)CC(C)(C)C ZINC000635701801 372785624 /nfs/dbraw/zinc/78/56/24/372785624.db2.gz WCKGMZOQNOHNQU-AWEZNQCLSA-N 2 2 297.443 0.897 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)CC(C)(C)C ZINC000635701801 372785631 /nfs/dbraw/zinc/78/56/31/372785631.db2.gz WCKGMZOQNOHNQU-AWEZNQCLSA-N 2 2 297.443 0.897 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[NH+]([C@@H](CC)CO)CC2)[nH+]1 ZINC000635713499 372802464 /nfs/dbraw/zinc/80/24/64/372802464.db2.gz AZRNWWSTIYOPAV-ZDUSSCGKSA-N 2 2 294.399 0.430 20 0 CCADLP CC1(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C[NH2+]C1 ZINC000333229497 205134998 /nfs/dbraw/zinc/13/49/98/205134998.db2.gz BQQUYVYDBLQKCW-LLVKDONJSA-N 2 2 260.341 0.386 20 0 CCADLP Cn1cc([C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@H]2[NH3+])cn1 ZINC000333235578 205140732 /nfs/dbraw/zinc/14/07/32/205140732.db2.gz ABUATNXEWINKKH-FPMFFAJLSA-N 2 2 264.373 0.573 20 0 CCADLP Cn1cc([C@@H]2C[N@@H+](CC[C@H]3CCOC3)C[C@H]2[NH3+])cn1 ZINC000333235578 205140736 /nfs/dbraw/zinc/14/07/36/205140736.db2.gz ABUATNXEWINKKH-FPMFFAJLSA-N 2 2 264.373 0.573 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000333302087 205199361 /nfs/dbraw/zinc/19/93/61/205199361.db2.gz MMRJROLFEUWDBS-OLZOCXBDSA-N 2 2 292.383 0.282 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000333302087 205199364 /nfs/dbraw/zinc/19/93/64/205199364.db2.gz MMRJROLFEUWDBS-OLZOCXBDSA-N 2 2 292.383 0.282 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[N@H+](CCO)C(C)(C)C2)[nH+]1 ZINC000635830953 372970744 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ZINC000636088717 373345178 /nfs/dbraw/zinc/34/51/78/373345178.db2.gz HOSZMFSPVYJBLL-MNOVXSKESA-N 2 2 250.346 0.728 20 0 CCADLP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636711020 373718999 /nfs/dbraw/zinc/71/89/99/373718999.db2.gz GLVFIJXDOVVRDD-RYUDHWBXSA-N 2 2 279.388 0.837 20 0 CCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636711020 373719006 /nfs/dbraw/zinc/71/90/06/373719006.db2.gz GLVFIJXDOVVRDD-RYUDHWBXSA-N 2 2 279.388 0.837 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636645615 373691654 /nfs/dbraw/zinc/69/16/54/373691654.db2.gz PKMVPZGMFGITBC-WDEREUQCSA-N 2 2 263.345 0.201 20 0 CCADLP C[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636645615 373691661 /nfs/dbraw/zinc/69/16/61/373691661.db2.gz PKMVPZGMFGITBC-WDEREUQCSA-N 2 2 263.345 0.201 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC[N@H+]1C ZINC000636843234 373783373 /nfs/dbraw/zinc/78/33/73/373783373.db2.gz DMLBMTXTECFZQT-GRYCIOLGSA-N 2 2 277.372 0.590 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC2(C)COC2)CC1 ZINC000636988824 373858350 /nfs/dbraw/zinc/85/83/50/373858350.db2.gz YEECTTMKWOZKMM-UHFFFAOYSA-N 2 2 284.404 0.101 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000637196381 373997257 /nfs/dbraw/zinc/99/72/57/373997257.db2.gz AANBMLAATNWWFP-NWDGAFQWSA-N 2 2 295.387 0.330 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000637196381 373997262 /nfs/dbraw/zinc/99/72/62/373997262.db2.gz AANBMLAATNWWFP-NWDGAFQWSA-N 2 2 295.387 0.330 20 0 CCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC[NH2+]C1CC1 ZINC000637316705 374098622 /nfs/dbraw/zinc/09/86/22/374098622.db2.gz FRJWUYHEYRQVQX-GXTWGEPZSA-N 2 2 296.415 0.243 20 0 CCADLP CCN(C(=O)NC[C@@H]1COCC[NH+]1C)[C@H]1CC[N@H+](CC)C1 ZINC000637439807 374150663 /nfs/dbraw/zinc/15/06/63/374150663.db2.gz CQWUCNXDVNUEHE-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP CCN(C(=O)NC[C@@H]1COCC[NH+]1C)[C@H]1CC[N@@H+](CC)C1 ZINC000637439807 374150668 /nfs/dbraw/zinc/15/06/68/374150668.db2.gz CQWUCNXDVNUEHE-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP CCN(C(=O)NC[C@@H]1COCC[N@@H+]1C)[C@H]1CC[NH+](CC)C1 ZINC000637439807 374150674 /nfs/dbraw/zinc/15/06/74/374150674.db2.gz CQWUCNXDVNUEHE-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP CCN(C(=O)NC[C@@H]1COCC[N@H+]1C)[C@H]1CC[NH+](CC)C1 ZINC000637439807 374150678 /nfs/dbraw/zinc/15/06/78/374150678.db2.gz CQWUCNXDVNUEHE-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000637440372 374154090 /nfs/dbraw/zinc/15/40/90/374154090.db2.gz IWUFEFTXUFSQKO-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000637440372 374154100 /nfs/dbraw/zinc/15/41/00/374154100.db2.gz IWUFEFTXUFSQKO-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)Nc2ccc(N)[nH+]c2)C1 ZINC000637827162 374367595 /nfs/dbraw/zinc/36/75/95/374367595.db2.gz CTURCIYWGNMRFX-JOYOIKCWSA-N 2 2 250.302 0.200 20 0 CCADLP C[C@H](C[NH3+])N(C)C(=O)[C@@H]([NH3+])CN(C)Cc1ccccc1 ZINC000637841750 374391717 /nfs/dbraw/zinc/39/17/17/374391717.db2.gz MJVTYBHTNBOXQM-OCCSQVGLSA-N 2 2 278.400 0.251 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@](C)(C[NH3+])C1CC1)CC2 ZINC000637843190 374395970 /nfs/dbraw/zinc/39/59/70/374395970.db2.gz UOANYCVLOVRPAO-NHYWBVRUSA-N 2 2 276.384 0.998 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@@H](C[NH2+]C)C2)[nH+]1 ZINC000637834566 374378962 /nfs/dbraw/zinc/37/89/62/374378962.db2.gz FDGSCDNZMKYAAU-JTQLQIEISA-N 2 2 250.346 0.583 20 0 CCADLP C[C@H](CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccco1 ZINC000637863850 374425083 /nfs/dbraw/zinc/42/50/83/374425083.db2.gz IGVMFZOIACBITJ-VXGBXAGGSA-N 2 2 265.357 0.875 20 0 CCADLP C[C@H](CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccco1 ZINC000637863850 374425090 /nfs/dbraw/zinc/42/50/90/374425090.db2.gz IGVMFZOIACBITJ-VXGBXAGGSA-N 2 2 265.357 0.875 20 0 CCADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000638077448 374633360 /nfs/dbraw/zinc/63/33/60/374633360.db2.gz SRTGQMMQJKEFMI-MBNYWOFBSA-N 2 2 280.372 0.402 20 0 CCADLP Nc1nc(N)c(C[N@@H+]2CC[C@@H](c3ccco3)C2)c[nH+]1 ZINC000638068521 374613669 /nfs/dbraw/zinc/61/36/69/374613669.db2.gz CGSNNLLTGUOIOQ-SECBINFHSA-N 2 2 259.313 0.884 20 0 CCADLP Nc1nc(N)c(C[N@H+]2CC[C@@H](c3ccco3)C2)c[nH+]1 ZINC000638068521 374613674 /nfs/dbraw/zinc/61/36/74/374613674.db2.gz CGSNNLLTGUOIOQ-SECBINFHSA-N 2 2 259.313 0.884 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000638091502 374653186 /nfs/dbraw/zinc/65/31/86/374653186.db2.gz WPLCGSMPPNAIHA-LLVKDONJSA-N 2 2 295.383 0.745 20 0 CCADLP COc1cccc(C[C@@H]([NH3+])C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000638114742 374679831 /nfs/dbraw/zinc/67/98/31/374679831.db2.gz LYGIKHWEKUPIIK-GFCCVEGCSA-N 2 2 274.324 0.605 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(N)nc2N)[C@H](C)C1 ZINC000638113899 374680417 /nfs/dbraw/zinc/68/04/17/374680417.db2.gz QROYSBWIVUHTDC-PWSUYJOCSA-N 2 2 278.404 0.464 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(N)nc2N)[C@H](C)C1 ZINC000638113899 374680420 /nfs/dbraw/zinc/68/04/20/374680420.db2.gz QROYSBWIVUHTDC-PWSUYJOCSA-N 2 2 278.404 0.464 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(N)nc2N)[C@H](C)C1 ZINC000638113899 374680422 /nfs/dbraw/zinc/68/04/22/374680422.db2.gz QROYSBWIVUHTDC-PWSUYJOCSA-N 2 2 278.404 0.464 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(N)nc2N)[C@H](C)C1 ZINC000638113899 374680424 /nfs/dbraw/zinc/68/04/24/374680424.db2.gz QROYSBWIVUHTDC-PWSUYJOCSA-N 2 2 278.404 0.464 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000638112608 374680602 /nfs/dbraw/zinc/68/06/02/374680602.db2.gz ZEGJLLXXKXLULJ-UHFFFAOYSA-N 2 2 291.355 0.776 20 0 CCADLP COc1cccc(C[C@H]([NH3+])C(=O)N2CC[NH+](C)CC2)c1 ZINC000638148900 374719589 /nfs/dbraw/zinc/71/95/89/374719589.db2.gz APGCUWQETAIANS-AWEZNQCLSA-N 2 2 277.368 0.339 20 0 CCADLP CCC[NH2+]CCNC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000638148573 374720159 /nfs/dbraw/zinc/72/01/59/374720159.db2.gz XNACCXJRLDLSPM-LBPRGKRZSA-N 2 2 264.373 0.870 20 0 CCADLP COCC[NH2+]CCNC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000638154082 374724507 /nfs/dbraw/zinc/72/45/07/374724507.db2.gz LVBNMRWXYSTMGR-LBPRGKRZSA-N 2 2 280.372 0.106 20 0 CCADLP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@H]([NH3+])CN(C)Cc1ccccc1 ZINC000638235049 374828697 /nfs/dbraw/zinc/82/86/97/374828697.db2.gz MPRCYROTNCILNG-YUELXQCFSA-N 2 2 290.411 0.394 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)[C@H]1CCC[NH2+]1 ZINC000574563323 335029475 /nfs/dbraw/zinc/02/94/75/335029475.db2.gz ZYTTVDAIUVHDJI-RWMBFGLXSA-N 2 2 289.445 0.531 20 0 CCADLP C[NH+](C)C1(CNCc2c[nH+]c(N)nc2N)CCCCC1 ZINC000638280861 374886685 /nfs/dbraw/zinc/88/66/85/374886685.db2.gz LEJYBOGRUCNKDI-UHFFFAOYSA-N 2 2 278.404 0.656 20 0 CCADLP CO[C@@H](C[NH2+]CCC[NH+]1CCOCC1)[C@@H]1CCOC1 ZINC000638286325 374895543 /nfs/dbraw/zinc/89/55/43/374895543.db2.gz MNMGHSJPYRYHGT-KGLIPLIRSA-N 2 2 272.389 0.350 20 0 CCADLP COc1ccc(C)nc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000574545003 335028631 /nfs/dbraw/zinc/02/86/31/335028631.db2.gz YNAJUGQSDJYPEV-NSHDSACASA-N 2 2 293.371 0.505 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N(C)[C@@H](C[NH3+])C1CC1)CC2 ZINC000638332084 374933266 /nfs/dbraw/zinc/93/32/66/374933266.db2.gz MZGKVMJMFNVYKO-OLZOCXBDSA-N 2 2 276.384 0.950 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638424534 375021195 /nfs/dbraw/zinc/02/11/95/375021195.db2.gz AQMLRAOFTOZNKV-BXUZGUMPSA-N 2 2 280.372 0.836 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCCN1CC(F)F ZINC000638517317 375109599 /nfs/dbraw/zinc/10/95/99/375109599.db2.gz STCHTFGWLVXDLK-QWRGUYRKSA-N 2 2 292.374 0.111 20 0 CCADLP CC[NH+](CC)C[C@H](C)NCc1c[nH+]c(N)nc1N ZINC000638565971 375141850 /nfs/dbraw/zinc/14/18/50/375141850.db2.gz WYHGQXJDDOMQFF-VIFPVBQESA-N 2 2 252.366 0.122 20 0 CCADLP CC[C@H]1CCCC[N@@H+]1CCNCc1c[nH+]c(N)nc1N ZINC000638587842 375167752 /nfs/dbraw/zinc/16/77/52/375167752.db2.gz HRMYYDKADLIBED-LBPRGKRZSA-N 2 2 278.404 0.656 20 0 CCADLP CC[C@H]1CCCC[N@H+]1CCNCc1c[nH+]c(N)nc1N ZINC000638587842 375167756 /nfs/dbraw/zinc/16/77/56/375167756.db2.gz HRMYYDKADLIBED-LBPRGKRZSA-N 2 2 278.404 0.656 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000638608805 375190067 /nfs/dbraw/zinc/19/00/67/375190067.db2.gz BXDNQOLCSHFJNS-CHWSQXEVSA-N 2 2 297.786 0.787 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000638608805 375190071 /nfs/dbraw/zinc/19/00/71/375190071.db2.gz BXDNQOLCSHFJNS-CHWSQXEVSA-N 2 2 297.786 0.787 20 0 CCADLP CC(C)C[C@@H](C(=O)NC[C@H]1COCC[NH2+]1)n1cc[nH+]c1 ZINC000638612210 375194214 /nfs/dbraw/zinc/19/42/14/375194214.db2.gz NKFSEKYQSVSRQH-STQMWFEESA-N 2 2 280.372 0.575 20 0 CCADLP Cc1cccn2cc(CC(=O)NC[C@@H]3COCC[NH2+]3)[nH+]c12 ZINC000638616189 375205207 /nfs/dbraw/zinc/20/52/07/375205207.db2.gz OAVKXOKLCDIQGX-CYBMUJFWSA-N 2 2 288.351 0.290 20 0 CCADLP CO[C@]1(C[NH2+]C[C@@H](C)C[NH+]2CCOCC2)CCOC1 ZINC000638674374 375277477 /nfs/dbraw/zinc/27/74/77/375277477.db2.gz IFZIYLAWHXHWIS-KGLIPLIRSA-N 2 2 272.389 0.350 20 0 CCADLP [NH3+]CCCOCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000638660264 375262493 /nfs/dbraw/zinc/26/24/93/375262493.db2.gz BYKMGTKXQRAANS-UHFFFAOYSA-N 2 2 288.351 0.968 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000638766376 375343701 /nfs/dbraw/zinc/34/37/01/375343701.db2.gz VEQIUNWQWILZAC-IACUBPJLSA-N 2 2 281.400 0.496 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000638766376 375343702 /nfs/dbraw/zinc/34/37/02/375343702.db2.gz VEQIUNWQWILZAC-IACUBPJLSA-N 2 2 281.400 0.496 20 0 CCADLP COC1CC[NH+](CC[NH2+][C@H]2CCCNC(=O)C2)CC1 ZINC000638907716 375444862 /nfs/dbraw/zinc/44/48/62/375444862.db2.gz XKOHLOVATFHIIQ-LBPRGKRZSA-N 2 2 269.389 0.356 20 0 CCADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cocn1 ZINC000638984782 375497468 /nfs/dbraw/zinc/49/74/68/375497468.db2.gz RLMPIFOYMFTLSZ-UHFFFAOYSA-N 2 2 273.296 0.732 20 0 CCADLP CC(C)[NH2+]CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638985248 375497812 /nfs/dbraw/zinc/49/78/12/375497812.db2.gz DHRXOKODAMLMBL-UHFFFAOYSA-N 3 2 277.372 0.428 20 0 CCADLP Cc1nccc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)n1 ZINC000638988386 375499126 /nfs/dbraw/zinc/49/91/26/375499126.db2.gz XNIUUVXIYHEFOH-UHFFFAOYSA-N 2 2 298.350 0.842 20 0 CCADLP Cn1nc2c(c1NC(=O)[C@@H]([NH3+])CC[NH+](C)C)CCCC2 ZINC000638990745 375503331 /nfs/dbraw/zinc/50/33/31/375503331.db2.gz QPHGHFDPHSKNOY-NSHDSACASA-N 2 2 279.388 0.516 20 0 CCADLP C[C@H](C[NH3+])C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000638991243 375504892 /nfs/dbraw/zinc/50/48/92/375504892.db2.gz XXJUYUQAQVBRTA-LLVKDONJSA-N 2 2 294.424 0.846 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cccc(F)c2N)C1 ZINC000639049000 375547919 /nfs/dbraw/zinc/54/79/19/375547919.db2.gz GFMQTQFHGNGJMT-CYBMUJFWSA-N 2 2 253.321 0.564 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cccc(F)c2N)C1 ZINC000639049000 375547926 /nfs/dbraw/zinc/54/79/26/375547926.db2.gz GFMQTQFHGNGJMT-CYBMUJFWSA-N 2 2 253.321 0.564 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2c[nH]c3nccnc23)C1 ZINC000574612531 335033737 /nfs/dbraw/zinc/03/37/37/335033737.db2.gz RZJCRFPIOZYVRL-CYBMUJFWSA-N 2 2 261.329 0.066 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2c[nH]c3nccnc23)C1 ZINC000574612531 335033739 /nfs/dbraw/zinc/03/37/39/335033739.db2.gz RZJCRFPIOZYVRL-CYBMUJFWSA-N 2 2 261.329 0.066 20 0 CCADLP CC(C)(O)C[NH+]1CCC(NCC[NH+]2CCC(O)CC2)CC1 ZINC000639235044 375652622 /nfs/dbraw/zinc/65/26/22/375652622.db2.gz OURVEDHUPHHUFN-UHFFFAOYSA-N 2 2 299.459 0.268 20 0 CCADLP CCCC[N@H+](C)CCNC[C@H](O)C[NH+]1CCOCC1 ZINC000574631317 335034924 /nfs/dbraw/zinc/03/49/24/335034924.db2.gz DZSMDKJKZQSJDA-AWEZNQCLSA-N 2 2 273.421 0.001 20 0 CCADLP CCCC[N@@H+](C)CCNC[C@H](O)C[NH+]1CCOCC1 ZINC000574631317 335034926 /nfs/dbraw/zinc/03/49/26/335034926.db2.gz DZSMDKJKZQSJDA-AWEZNQCLSA-N 2 2 273.421 0.001 20 0 CCADLP CO[C@H](C[NH2+][C@H]1CCC[N@H+](CCCO)C1)[C@H]1CCOC1 ZINC000639220046 375643072 /nfs/dbraw/zinc/64/30/72/375643072.db2.gz VSBQHAGDACLIBQ-SOUVJXGZSA-N 2 2 286.416 0.474 20 0 CCADLP CO[C@H](C[NH2+][C@H]1CCC[N@@H+](CCCO)C1)[C@H]1CCOC1 ZINC000639220046 375643077 /nfs/dbraw/zinc/64/30/77/375643077.db2.gz VSBQHAGDACLIBQ-SOUVJXGZSA-N 2 2 286.416 0.474 20 0 CCADLP O=C1C[C@@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)CCCN1 ZINC000639219363 375643608 /nfs/dbraw/zinc/64/36/08/375643608.db2.gz SWEMKEZAALUOCM-QWHCGFSZSA-N 2 2 269.389 0.092 20 0 CCADLP O=C1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)CCCN1 ZINC000639219363 375643612 /nfs/dbraw/zinc/64/36/12/375643612.db2.gz SWEMKEZAALUOCM-QWHCGFSZSA-N 2 2 269.389 0.092 20 0 CCADLP C[N@@H+](Cc1ccc(S(N)(=O)=O)cc1)CC1C[NH+](C)C1 ZINC000639309339 375716420 /nfs/dbraw/zinc/71/64/20/375716420.db2.gz LTVPFDAJIOBKAE-UHFFFAOYSA-N 2 2 283.397 0.327 20 0 CCADLP C[N@H+](Cc1ccc(S(N)(=O)=O)cc1)CC1C[NH+](C)C1 ZINC000639309339 375716426 /nfs/dbraw/zinc/71/64/26/375716426.db2.gz LTVPFDAJIOBKAE-UHFFFAOYSA-N 2 2 283.397 0.327 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC000639490565 375807465 /nfs/dbraw/zinc/80/74/65/375807465.db2.gz SHCXKCJZDBISDV-CQSZACIVSA-N 2 2 293.415 0.544 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC000639490565 375807469 /nfs/dbraw/zinc/80/74/69/375807469.db2.gz SHCXKCJZDBISDV-CQSZACIVSA-N 2 2 293.415 0.544 20 0 CCADLP Cc1nc(N2CC[NH+](C[C@@H]3CCc4ncnn43)CC2)cc[nH+]1 ZINC000639585519 375843932 /nfs/dbraw/zinc/84/39/32/375843932.db2.gz JGCXUVSUMDMHDW-ZDUSSCGKSA-N 2 2 299.382 0.686 20 0 CCADLP C[C@H]1CC[N@H+](CCc2c[nH+]cn2C)[C@H](C(N)=O)C1 ZINC000639599877 375852706 /nfs/dbraw/zinc/85/27/06/375852706.db2.gz WFMQNZLWQNZLST-JQWIXIFHSA-N 2 2 250.346 0.548 20 0 CCADLP C[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)[C@H](C(N)=O)C1 ZINC000639599877 375852711 /nfs/dbraw/zinc/85/27/11/375852711.db2.gz WFMQNZLWQNZLST-JQWIXIFHSA-N 2 2 250.346 0.548 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+](C)Cc1ncnn1CC(F)F ZINC000639615873 375861776 /nfs/dbraw/zinc/86/17/76/375861776.db2.gz SYDVPHGXCAUHRJ-UHFFFAOYSA-N 2 2 284.314 0.951 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+](C)Cc1ncnn1CC(F)F ZINC000639615873 375861781 /nfs/dbraw/zinc/86/17/81/375861781.db2.gz SYDVPHGXCAUHRJ-UHFFFAOYSA-N 2 2 284.314 0.951 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000639640229 375881071 /nfs/dbraw/zinc/88/10/71/375881071.db2.gz BHSZIGOZGRJWDD-AWEZNQCLSA-N 2 2 265.357 0.844 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000639640229 375881077 /nfs/dbraw/zinc/88/10/77/375881077.db2.gz BHSZIGOZGRJWDD-AWEZNQCLSA-N 2 2 265.357 0.844 20 0 CCADLP C[NH+]1CCN(C(=O)CN2CC[N@H+](C)[C@H](C(C)(C)C)C2)CC1 ZINC000639748518 375974214 /nfs/dbraw/zinc/97/42/14/375974214.db2.gz GJLCECMKYSAKFJ-AWEZNQCLSA-N 2 2 296.459 0.423 20 0 CCADLP C[NH+]1CCN(C(=O)CN2CC[N@@H+](C)[C@H](C(C)(C)C)C2)CC1 ZINC000639748518 375974216 /nfs/dbraw/zinc/97/42/16/375974216.db2.gz GJLCECMKYSAKFJ-AWEZNQCLSA-N 2 2 296.459 0.423 20 0 CCADLP Cc1cc(C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)ncn1 ZINC000639765175 375992527 /nfs/dbraw/zinc/99/25/27/375992527.db2.gz HSMPHDKJKTYDKE-AWEZNQCLSA-N 2 2 264.373 0.674 20 0 CCADLP Cc1cc(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)ncn1 ZINC000639765175 375992532 /nfs/dbraw/zinc/99/25/32/375992532.db2.gz HSMPHDKJKTYDKE-AWEZNQCLSA-N 2 2 264.373 0.674 20 0 CCADLP C[C@H]1CC[C@@H](C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)O1 ZINC000640051474 376215302 /nfs/dbraw/zinc/21/53/02/376215302.db2.gz NRJIWYBERYHNPX-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP C[C@H]1CC[C@@H](C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)O1 ZINC000640051474 376215307 /nfs/dbraw/zinc/21/53/07/376215307.db2.gz NRJIWYBERYHNPX-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CC(C)(C)CO1 ZINC000640063539 376224573 /nfs/dbraw/zinc/22/45/73/376224573.db2.gz SVDOPJQYAVBEBJ-ZDUSSCGKSA-N 2 2 283.416 0.507 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CC(C)(C)CO1 ZINC000640063539 376224578 /nfs/dbraw/zinc/22/45/78/376224578.db2.gz SVDOPJQYAVBEBJ-ZDUSSCGKSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@@H](CC(=O)N[C@H](CO)C[NH+]1CCCC1)n1cc[nH+]c1 ZINC000640319596 376306743 /nfs/dbraw/zinc/30/67/43/376306743.db2.gz AVGILYJXTXWTFJ-STQMWFEESA-N 2 2 280.372 0.407 20 0 CCADLP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000656786831 412851766 /nfs/dbraw/zinc/85/17/66/412851766.db2.gz AOMFAWQMONQQLO-GFCCVEGCSA-N 2 2 251.378 0.988 20 0 CCADLP CC(C)(C)[NH2+]CC[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000656786831 412851768 /nfs/dbraw/zinc/85/17/68/412851768.db2.gz AOMFAWQMONQQLO-GFCCVEGCSA-N 2 2 251.378 0.988 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H]1CCCn2nccc21 ZINC000640219955 376286921 /nfs/dbraw/zinc/28/69/21/376286921.db2.gz IYWCQNKYKGHUEX-STQMWFEESA-N 2 2 282.388 0.247 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1CCCn2nccc21 ZINC000640219955 376286924 /nfs/dbraw/zinc/28/69/24/376286924.db2.gz IYWCQNKYKGHUEX-STQMWFEESA-N 2 2 282.388 0.247 20 0 CCADLP CCc1[nH+]ccn1Cc1cn(Cc2[nH+]ccn2C)nn1 ZINC000640953081 376638178 /nfs/dbraw/zinc/63/81/78/376638178.db2.gz GUZIXLZTEXDFFK-UHFFFAOYSA-N 2 2 271.328 0.867 20 0 CCADLP COC[C@H]([NH3+])Cc1cn(Cc2cc(OC)cc[nH+]2)nn1 ZINC000641031251 376689606 /nfs/dbraw/zinc/68/96/06/376689606.db2.gz ZVWAZPSIKYNYEL-SNVBAGLBSA-N 2 2 277.328 0.246 20 0 CCADLP COCC[N@H+](C)Cc1cn(C[C@H](O)C[NH+](C)C(C)C)nn1 ZINC000641220740 376907398 /nfs/dbraw/zinc/90/73/98/376907398.db2.gz FESMDWAYZHUDGJ-CQSZACIVSA-N 2 2 299.419 0.057 20 0 CCADLP COCC[N@@H+](C)Cc1cn(C[C@H](O)C[NH+](C)C(C)C)nn1 ZINC000641220740 376907402 /nfs/dbraw/zinc/90/74/02/376907402.db2.gz FESMDWAYZHUDGJ-CQSZACIVSA-N 2 2 299.419 0.057 20 0 CCADLP COCC[NH+](C)Cc1cn(C[C@H](O)C[N@H+](C)C(C)C)nn1 ZINC000641220740 376907414 /nfs/dbraw/zinc/90/74/14/376907414.db2.gz FESMDWAYZHUDGJ-CQSZACIVSA-N 2 2 299.419 0.057 20 0 CCADLP COCC[NH+](C)Cc1cn(C[C@H](O)C[N@@H+](C)C(C)C)nn1 ZINC000641220740 376907422 /nfs/dbraw/zinc/90/74/22/376907422.db2.gz FESMDWAYZHUDGJ-CQSZACIVSA-N 2 2 299.419 0.057 20 0 CCADLP c1c(C[NH+]2CCSCC2)nnn1CC1CC[NH2+]CC1 ZINC000641233788 376932232 /nfs/dbraw/zinc/93/22/32/376932232.db2.gz YVQFEVYPDWIZJF-UHFFFAOYSA-N 2 2 281.429 0.827 20 0 CCADLP CN(C1CC[NH+](C)CC1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641250091 376940981 /nfs/dbraw/zinc/94/09/81/376940981.db2.gz CRWNBMZZCSYMJP-UHFFFAOYSA-N 2 2 286.401 0.239 20 0 CCADLP O=S(=O)(CCn1cc[nH+]c1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000641274516 376957487 /nfs/dbraw/zinc/95/74/87/376957487.db2.gz XVIDMIQQIBMVTJ-LBPRGKRZSA-N 2 2 298.412 0.287 20 0 CCADLP O=S(=O)(CCn1cc[nH+]c1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000641274516 376957495 /nfs/dbraw/zinc/95/74/95/376957495.db2.gz XVIDMIQQIBMVTJ-LBPRGKRZSA-N 2 2 298.412 0.287 20 0 CCADLP C[C@@H]([NH3+])CNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000641414326 377088835 /nfs/dbraw/zinc/08/88/35/377088835.db2.gz XUIYFKMHPGCPHX-OLZOCXBDSA-N 2 2 291.399 0.817 20 0 CCADLP CCC(F)(F)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000641797192 377466810 /nfs/dbraw/zinc/46/68/10/377466810.db2.gz XNHFEEYLCQEQLG-JTQLQIEISA-N 2 2 263.332 0.819 20 0 CCADLP CCC(F)(F)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000641797192 377466814 /nfs/dbraw/zinc/46/68/14/377466814.db2.gz XNHFEEYLCQEQLG-JTQLQIEISA-N 2 2 263.332 0.819 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1nnnn1CC(F)(F)F ZINC000641800871 377471948 /nfs/dbraw/zinc/47/19/48/377471948.db2.gz HOXFCBUYSRAWRO-RNFRBKRXSA-N 2 2 278.282 0.451 20 0 CCADLP CC1(C)[C@H]([NH2+]Cc2nnnn2Cc2ccccc2)C[C@@H]1[NH3+] ZINC000641805784 377478431 /nfs/dbraw/zinc/47/84/31/377478431.db2.gz OMUNWIPJUORZNA-QWHCGFSZSA-N 2 2 286.383 0.937 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@H](C[NH3+])C2)n1 ZINC000430665382 249022958 /nfs/dbraw/zinc/02/29/58/249022958.db2.gz MQJRTCATEYTMTD-SNVBAGLBSA-N 2 2 250.346 0.915 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@H](C[NH3+])C2)n1 ZINC000430665382 249022959 /nfs/dbraw/zinc/02/29/59/249022959.db2.gz MQJRTCATEYTMTD-SNVBAGLBSA-N 2 2 250.346 0.915 20 0 CCADLP CC[NH+](CC)CCC[NH2+][C@H](CO)c1ccnn1C ZINC000459773170 249060713 /nfs/dbraw/zinc/06/07/13/249060713.db2.gz UGOTVHLBTUZCQY-GFCCVEGCSA-N 2 2 254.378 0.775 20 0 CCADLP C[NH+](C)C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC000514640970 249095817 /nfs/dbraw/zinc/09/58/17/249095817.db2.gz ZHIMNZBUJPSNFG-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP C[C@H](CN1CCOCC1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000514839376 249106849 /nfs/dbraw/zinc/10/68/49/249106849.db2.gz WFHHSBGXJJHYTK-KGLIPLIRSA-N 2 2 278.400 0.930 20 0 CCADLP C[C@H](CN1CCOCC1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000514839376 249106852 /nfs/dbraw/zinc/10/68/52/249106852.db2.gz WFHHSBGXJJHYTK-KGLIPLIRSA-N 2 2 278.400 0.930 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2CC23CC[NH2+]CC3)CCO1 ZINC000514863986 249108672 /nfs/dbraw/zinc/10/86/72/249108672.db2.gz YWFYATARNFLNAR-STQMWFEESA-N 2 2 281.400 0.213 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CC23CC[NH2+]CC3)CCO1 ZINC000514863986 249108674 /nfs/dbraw/zinc/10/86/74/249108674.db2.gz YWFYATARNFLNAR-STQMWFEESA-N 2 2 281.400 0.213 20 0 CCADLP C[N@@H+]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC000516222984 249156528 /nfs/dbraw/zinc/15/65/28/249156528.db2.gz HBPRKARXCREYLS-QWHCGFSZSA-N 2 2 262.357 0.826 20 0 CCADLP C[N@H+]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC000516222984 249156529 /nfs/dbraw/zinc/15/65/29/249156529.db2.gz HBPRKARXCREYLS-QWHCGFSZSA-N 2 2 262.357 0.826 20 0 CCADLP C[C@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C[NH+](C)C ZINC000515356310 249130394 /nfs/dbraw/zinc/13/03/94/249130394.db2.gz VQKWHJXQCQTDGC-GHMZBOCLSA-N 2 2 252.362 0.902 20 0 CCADLP C[C@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C[NH+](C)C ZINC000515356310 249130395 /nfs/dbraw/zinc/13/03/95/249130395.db2.gz VQKWHJXQCQTDGC-GHMZBOCLSA-N 2 2 252.362 0.902 20 0 CCADLP C[C@@H](C(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000515354896 249130498 /nfs/dbraw/zinc/13/04/98/249130498.db2.gz MFWSVMQXCPOVJO-AVGNSLFASA-N 2 2 269.389 0.116 20 0 CCADLP C[C@@H]1CC[C@H]1[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000516457002 249164800 /nfs/dbraw/zinc/16/48/00/249164800.db2.gz WIHUWTVMCUVYBK-RKQHYHRCSA-N 2 2 256.390 0.845 20 0 CCADLP C[C@@H]1CC[C@H]1[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000516457002 249164801 /nfs/dbraw/zinc/16/48/01/249164801.db2.gz WIHUWTVMCUVYBK-RKQHYHRCSA-N 2 2 256.390 0.845 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCc2ccc(F)c(F)c2)[C@H](C[NH3+])C1 ZINC000515618952 249139342 /nfs/dbraw/zinc/13/93/42/249139342.db2.gz AFMWCXYLYCKPEA-LLVKDONJSA-N 2 2 298.337 0.749 20 0 CCADLP C[N@H+]1CCN(C(=O)NCc2ccc(F)c(F)c2)[C@H](C[NH3+])C1 ZINC000515618952 249139344 /nfs/dbraw/zinc/13/93/44/249139344.db2.gz AFMWCXYLYCKPEA-LLVKDONJSA-N 2 2 298.337 0.749 20 0 CCADLP COC[C@]1(C(=O)NCc2cn3ccccc3[nH+]2)CC[NH2+]C1 ZINC000516647024 249173861 /nfs/dbraw/zinc/17/38/61/249173861.db2.gz CRRIPXIMSPCQOL-HNNXBMFYSA-N 2 2 288.351 0.577 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCCOC(F)F)C[C@@H](C)O1 ZINC000516762725 249177785 /nfs/dbraw/zinc/17/77/85/249177785.db2.gz LMMSEELRDAQOLA-IJLUTSLNSA-N 2 2 296.358 0.675 20 0 CCADLP C[C@H](c1nnnn1C)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000516867591 249184519 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CC1(C)NC(=O)N(CCC[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)C1=O ZINC000643069668 377713249 /nfs/dbraw/zinc/71/32/49/377713249.db2.gz WOMSBVHNZZFPCL-RYUDHWBXSA-N 2 2 294.399 0.391 20 0 CCADLP CC1(C)NC(=O)N(CCC[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)C1=O ZINC000643069668 377713256 /nfs/dbraw/zinc/71/32/56/377713256.db2.gz WOMSBVHNZZFPCL-RYUDHWBXSA-N 2 2 294.399 0.391 20 0 CCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)CC1CC1 ZINC000657071745 412883328 /nfs/dbraw/zinc/88/33/28/412883328.db2.gz UIUQYYPIPKKROU-LBPRGKRZSA-N 2 2 291.461 0.588 20 0 CCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)CC1CC1 ZINC000657071745 412883329 /nfs/dbraw/zinc/88/33/29/412883329.db2.gz UIUQYYPIPKKROU-LBPRGKRZSA-N 2 2 291.461 0.588 20 0 CCADLP CCN(CC)S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000657093248 412886888 /nfs/dbraw/zinc/88/68/88/412886888.db2.gz SUJWFPIJYSCHCG-UHFFFAOYSA-N 2 2 294.465 0.046 20 0 CCADLP CCN(CC)S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000657093248 412886889 /nfs/dbraw/zinc/88/68/89/412886889.db2.gz SUJWFPIJYSCHCG-UHFFFAOYSA-N 2 2 294.465 0.046 20 0 CCADLP O=C(NC[C@H]1CCC[NH2+]1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000569677876 291698705 /nfs/dbraw/zinc/69/87/05/291698705.db2.gz QSOUZPNSHRYITJ-TZMCWYRMSA-N 2 2 290.367 0.996 20 0 CCADLP Cc1cc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)nc(C(C)C)[nH+]1 ZINC000570225798 291743361 /nfs/dbraw/zinc/74/33/61/291743361.db2.gz CCNZLFSDAKFXSS-RYUDHWBXSA-N 2 2 289.383 0.657 20 0 CCADLP C[C@@H]1C[NH+](CCCNC(=O)CCc2[nH]cc[nH+]2)C[C@@H](C)O1 ZINC000279199311 194329010 /nfs/dbraw/zinc/32/90/10/194329010.db2.gz MOPFAKJPVLTSEK-CHWSQXEVSA-N 2 2 294.399 0.958 20 0 CCADLP CC(C)[C@@H](CNC(=O)CCc1[nH]cc[nH+]1)[NH+]1CCOCC1 ZINC000279286398 194368715 /nfs/dbraw/zinc/36/87/15/194368715.db2.gz YERKKSJQZMPTMN-CYBMUJFWSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H]1CC[NH2+][C@H](C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000423371721 300004796 /nfs/dbraw/zinc/00/47/96/300004796.db2.gz HUOYZWRLFHGYMZ-STQMWFEESA-N 2 2 283.416 0.602 20 0 CCADLP C[C@H]1CC[NH2+][C@H](C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000423371721 300004798 /nfs/dbraw/zinc/00/47/98/300004798.db2.gz HUOYZWRLFHGYMZ-STQMWFEESA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@H]1CN(C(=O)NCCn2cc[nH+]c2)[C@H](C)C[NH2+]1 ZINC000334909239 207276905 /nfs/dbraw/zinc/27/69/05/207276905.db2.gz MHGSQSHMVWVOOV-GHMZBOCLSA-N 2 2 251.334 0.275 20 0 CCADLP CCCNC(=O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657293114 412954295 /nfs/dbraw/zinc/95/42/95/412954295.db2.gz XXUPIODAJFPLNY-UHFFFAOYSA-N 2 2 273.340 0.883 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCCn1cc[nH+]c1 ZINC000192894059 284923564 /nfs/dbraw/zinc/92/35/64/284923564.db2.gz XTQODTPENZWLAP-ZDUSSCGKSA-N 2 2 295.387 0.293 20 0 CCADLP CCCc1ncc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)o1 ZINC000571075226 291789767 /nfs/dbraw/zinc/78/97/67/291789767.db2.gz QYVPLOKDSSYRQO-ZDUSSCGKSA-N 2 2 296.415 0.325 20 0 CCADLP CC[NH+]1CCN(CCC[NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657308452 412957162 /nfs/dbraw/zinc/95/71/62/412957162.db2.gz SWBZVYNZVUWHCZ-UHFFFAOYSA-N 3 2 291.443 0.947 20 0 CCADLP O[C@@H](C[NH2+]Cc1c[nH+]c2n1CCC2)COCC1CC1 ZINC000657339323 412961975 /nfs/dbraw/zinc/96/19/75/412961975.db2.gz BAUVLBWYGRNEDR-ZDUSSCGKSA-N 2 2 265.357 0.706 20 0 CCADLP Cc1c[nH]c(C[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)n1 ZINC000657340878 412966652 /nfs/dbraw/zinc/96/66/52/412966652.db2.gz BXQMDTPCSWZNSC-ZDUSSCGKSA-N 2 2 293.415 0.750 20 0 CCADLP Cc1c[nH]c(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)n1 ZINC000657340878 412966658 /nfs/dbraw/zinc/96/66/58/412966658.db2.gz BXQMDTPCSWZNSC-ZDUSSCGKSA-N 2 2 293.415 0.750 20 0 CCADLP COCC[N@H+](Cc1c[nH+]c(N(C)C)n1C)[C@@H]1CCOC1 ZINC000425332906 285000454 /nfs/dbraw/zinc/00/04/54/285000454.db2.gz DIZQUOXUZOIOBV-GFCCVEGCSA-N 2 2 282.388 0.723 20 0 CCADLP COCC[N@@H+](Cc1c[nH+]c(N(C)C)n1C)[C@@H]1CCOC1 ZINC000425332906 285000456 /nfs/dbraw/zinc/00/04/56/285000456.db2.gz DIZQUOXUZOIOBV-GFCCVEGCSA-N 2 2 282.388 0.723 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492861330 532975440 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CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000574810749 335047761 /nfs/dbraw/zinc/04/77/61/335047761.db2.gz NDYQHZDHPOHURC-UONOGXRCSA-N 3 2 254.422 0.339 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000574810749 335047763 /nfs/dbraw/zinc/04/77/63/335047763.db2.gz NDYQHZDHPOHURC-UONOGXRCSA-N 3 2 254.422 0.339 20 0 CCADLP Cc1ccncc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000280984747 195057211 /nfs/dbraw/zinc/05/72/11/195057211.db2.gz UQXZQEFZGMHGLP-AWEZNQCLSA-N 2 2 276.384 0.819 20 0 CCADLP Cc1ccncc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000280984747 195057213 /nfs/dbraw/zinc/05/72/13/195057213.db2.gz UQXZQEFZGMHGLP-AWEZNQCLSA-N 2 2 276.384 0.819 20 0 CCADLP C[C@@]1(CNC(=O)[C@H]([NH3+])c2cscn2)CCC[NH2+]C1 ZINC000576696455 335235809 /nfs/dbraw/zinc/23/58/09/335235809.db2.gz POVSWUFUPWWHCH-ZYHUDNBSSA-N 2 2 268.386 0.649 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000572026818 291853488 /nfs/dbraw/zinc/85/34/88/291853488.db2.gz CVXIKQVOGRDSMM-KSTCHIGDSA-N 2 2 281.400 0.352 20 0 CCADLP CC(C)n1cc[nH+]c1CNC[C@@](C)(O)C[NH+](C)C ZINC000657415244 412984300 /nfs/dbraw/zinc/98/43/00/412984300.db2.gz GWENKFLIIHESTO-CYBMUJFWSA-N 2 2 254.378 0.866 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000249363023 285111599 /nfs/dbraw/zinc/11/15/99/285111599.db2.gz LZDVZVIPXUUDEC-CABCVRRESA-N 2 2 299.459 0.484 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000249363023 285111600 /nfs/dbraw/zinc/11/16/00/285111600.db2.gz LZDVZVIPXUUDEC-CABCVRRESA-N 2 2 299.459 0.484 20 0 CCADLP CCCn1nccc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000657436113 412987938 /nfs/dbraw/zinc/98/79/38/412987938.db2.gz ORWWUBRRALUFPY-CYBMUJFWSA-N 2 2 252.362 0.449 20 0 CCADLP CCCn1nccc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000657436113 412987945 /nfs/dbraw/zinc/98/79/45/412987945.db2.gz ORWWUBRRALUFPY-CYBMUJFWSA-N 2 2 252.362 0.449 20 0 CCADLP CC(C)(C)n1nnc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000657468835 412998936 /nfs/dbraw/zinc/99/89/36/412998936.db2.gz CWKFMNDDPAWPTF-VIFPVBQESA-N 2 2 275.360 0.798 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CC2([S@@](C)=O)CCC2)n1C ZINC000393707760 285211788 /nfs/dbraw/zinc/21/17/88/285211788.db2.gz SYHFIOQOHYTFKB-LJQANCHMSA-N 2 2 284.429 0.877 20 0 CCADLP COC[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000395982895 285229845 /nfs/dbraw/zinc/22/98/45/285229845.db2.gz ANZHUGXZCPJHGS-UONOGXRCSA-N 2 2 256.390 0.942 20 0 CCADLP COC[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000395982895 285229848 /nfs/dbraw/zinc/22/98/48/285229848.db2.gz ANZHUGXZCPJHGS-UONOGXRCSA-N 2 2 256.390 0.942 20 0 CCADLP COC[C@@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000395982895 285229851 /nfs/dbraw/zinc/22/98/51/285229851.db2.gz ANZHUGXZCPJHGS-UONOGXRCSA-N 2 2 256.390 0.942 20 0 CCADLP COC[C@@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000395982895 285229854 /nfs/dbraw/zinc/22/98/54/285229854.db2.gz ANZHUGXZCPJHGS-UONOGXRCSA-N 2 2 256.390 0.942 20 0 CCADLP C[N@H+](CC(=O)NCc1ccc2c(c1)OCO2)C1CC([NH3+])C1 ZINC000420327458 285241876 /nfs/dbraw/zinc/24/18/76/285241876.db2.gz GKCWOQVGZLTLLB-UHFFFAOYSA-N 2 2 291.351 0.453 20 0 CCADLP C[N@@H+](CC(=O)NCc1ccc2c(c1)OCO2)C1CC([NH3+])C1 ZINC000420327458 285241880 /nfs/dbraw/zinc/24/18/80/285241880.db2.gz GKCWOQVGZLTLLB-UHFFFAOYSA-N 2 2 291.351 0.453 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC2C(C)(C)C2(C)C)[C@@H](C[NH3+])C1 ZINC000520772145 285270399 /nfs/dbraw/zinc/27/03/99/285270399.db2.gz VLDBZGHCUZXROA-NSHDSACASA-N 2 2 282.432 0.953 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC2C(C)(C)C2(C)C)[C@@H](C[NH3+])C1 ZINC000520772145 285270401 /nfs/dbraw/zinc/27/04/01/285270401.db2.gz VLDBZGHCUZXROA-NSHDSACASA-N 2 2 282.432 0.953 20 0 CCADLP C[C@@H]1C[N@H+](CCNc2[nH+]cnc3[nH]ccc32)CCO1 ZINC000524166586 285309526 /nfs/dbraw/zinc/30/95/26/285309526.db2.gz OWCZVCXVTNYZNG-SNVBAGLBSA-N 2 2 261.329 0.512 20 0 CCADLP C[C@@H]1C[N@@H+](CCNc2[nH+]cnc3[nH]ccc32)CCO1 ZINC000524166586 285309532 /nfs/dbraw/zinc/30/95/32/285309532.db2.gz OWCZVCXVTNYZNG-SNVBAGLBSA-N 2 2 261.329 0.512 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)C[C@H]3COCC[NH2+]3)cn21 ZINC000285717506 388797183 /nfs/dbraw/zinc/79/71/83/388797183.db2.gz DURJHBWQDMRLTN-LBPRGKRZSA-N 2 2 288.351 0.637 20 0 CCADLP COc1ccc(CC[N@@H+]2CCO[C@@H](C[NH3+])C2)cc1 ZINC000011885956 388775128 /nfs/dbraw/zinc/77/51/28/388775128.db2.gz FOUFHRWELOBNPR-AWEZNQCLSA-N 2 2 250.342 0.897 20 0 CCADLP COc1ccc(CC[N@H+]2CCO[C@@H](C[NH3+])C2)cc1 ZINC000011885956 388775131 /nfs/dbraw/zinc/77/51/31/388775131.db2.gz FOUFHRWELOBNPR-AWEZNQCLSA-N 2 2 250.342 0.897 20 0 CCADLP CCC[C@@H](C(=O)N1CC[NH+](C[C@@H](C)O)CC1)[NH+](C)C ZINC000186792423 388852449 /nfs/dbraw/zinc/85/24/49/388852449.db2.gz NNFOXURUKBZBFY-OLZOCXBDSA-N 2 2 271.405 0.242 20 0 CCADLP NS(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000041029732 388860586 /nfs/dbraw/zinc/86/05/86/388860586.db2.gz MLAZUEZBQXLTCA-LLVKDONJSA-N 2 2 299.396 0.136 20 0 CCADLP NS(=O)(=O)c1ccc(OCC[N@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000041029732 388860590 /nfs/dbraw/zinc/86/05/90/388860590.db2.gz MLAZUEZBQXLTCA-LLVKDONJSA-N 2 2 299.396 0.136 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000062854501 388939553 /nfs/dbraw/zinc/93/95/53/388939553.db2.gz YHMFGZVSIBTFSW-DGCLKSJQSA-N 2 2 250.346 0.778 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CCC[N@H+](C)CC1 ZINC000292418388 388950028 /nfs/dbraw/zinc/95/00/28/388950028.db2.gz TWCKYXYRXNYAGJ-UHFFFAOYSA-N 2 2 251.334 0.267 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CCC[N@@H+](C)CC1 ZINC000292418388 388950029 /nfs/dbraw/zinc/95/00/29/388950029.db2.gz TWCKYXYRXNYAGJ-UHFFFAOYSA-N 2 2 251.334 0.267 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000295355904 389003205 /nfs/dbraw/zinc/00/32/05/389003205.db2.gz ZCJWDXBBVUYOLS-AWEZNQCLSA-N 2 2 291.395 0.986 20 0 CCADLP C[C@H](CS(C)(=O)=O)[NH2+]CCC[NH+]1CCCCC1 ZINC000081899033 389000828 /nfs/dbraw/zinc/00/08/28/389000828.db2.gz XQURVKCONFKHMJ-GFCCVEGCSA-N 2 2 262.419 0.885 20 0 CCADLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)C1CCOCC1 ZINC000354331427 389020699 /nfs/dbraw/zinc/02/06/99/389020699.db2.gz QWBZCASLCOIOFN-JSGCOSHPSA-N 2 2 255.406 0.637 20 0 CCADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)C1CCOCC1 ZINC000354331427 389020703 /nfs/dbraw/zinc/02/07/03/389020703.db2.gz QWBZCASLCOIOFN-JSGCOSHPSA-N 2 2 255.406 0.637 20 0 CCADLP C[C@H]1COCC[C@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000192624418 389046430 /nfs/dbraw/zinc/04/64/30/389046430.db2.gz YVQGRLJCMVBFQA-DZGCQCFKSA-N 2 2 297.443 0.801 20 0 CCADLP C[C@@H]1C[N@H+](CCN2C[C@@H](C)[NH+](C)C[C@@H]2C)CCO1 ZINC000337320942 389059285 /nfs/dbraw/zinc/05/92/85/389059285.db2.gz PNIHQJIGZALRTP-HZSPNIEDSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2C[C@@H](C)[NH+](C)C[C@@H]2C)CCO1 ZINC000337320942 389059286 /nfs/dbraw/zinc/05/92/86/389059286.db2.gz PNIHQJIGZALRTP-HZSPNIEDSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1C[NH+](CCN2C[C@@H](C)[N@H+](C)C[C@@H]2C)CCO1 ZINC000337320942 389059287 /nfs/dbraw/zinc/05/92/87/389059287.db2.gz PNIHQJIGZALRTP-HZSPNIEDSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1C[NH+](CCN2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CCO1 ZINC000337320942 389059288 /nfs/dbraw/zinc/05/92/88/389059288.db2.gz PNIHQJIGZALRTP-HZSPNIEDSA-N 2 2 255.406 0.732 20 0 CCADLP CC(C)[C@H](C(=O)NCC[NH+]1CCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000337638207 389064949 /nfs/dbraw/zinc/06/49/49/389064949.db2.gz ZOVBCSMKFAJAHI-QLFBSQMISA-N 2 2 297.443 0.942 20 0 CCADLP CC(C)[C@H](C(=O)NCC[NH+]1CCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000337638207 389064952 /nfs/dbraw/zinc/06/49/52/389064952.db2.gz ZOVBCSMKFAJAHI-QLFBSQMISA-N 2 2 297.443 0.942 20 0 CCADLP COC(=O)[C@@](C)(O)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000080210127 177625830 /nfs/dbraw/zinc/62/58/30/177625830.db2.gz NVTDIWIEQIBLRA-HNNXBMFYSA-N 2 2 284.400 0.861 20 0 CCADLP CC(=O)N1CCC[C@H](C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000355416129 389075108 /nfs/dbraw/zinc/07/51/08/389075108.db2.gz DEGGIJWSAWGPKL-IACUBPJLSA-N 2 2 253.390 0.785 20 0 CCADLP CC(=O)N1CCC[C@H](C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000355416129 389075111 /nfs/dbraw/zinc/07/51/11/389075111.db2.gz DEGGIJWSAWGPKL-IACUBPJLSA-N 2 2 253.390 0.785 20 0 CCADLP C[C@@H]1CC[N@H+](CC2(CO)COC2)C[C@H]1n1cc[nH+]c1 ZINC000305616345 389085782 /nfs/dbraw/zinc/08/57/82/389085782.db2.gz DDKQPAZLNYWLOF-CHWSQXEVSA-N 2 2 265.357 0.775 20 0 CCADLP C[C@@H]1CC[N@@H+](CC2(CO)COC2)C[C@H]1n1cc[nH+]c1 ZINC000305616345 389085786 /nfs/dbraw/zinc/08/57/86/389085786.db2.gz DDKQPAZLNYWLOF-CHWSQXEVSA-N 2 2 265.357 0.775 20 0 CCADLP COCC[N@@H+](CC(=O)N1CC[NH+](C)CC1)CC(C)C ZINC000093159190 389034707 /nfs/dbraw/zinc/03/47/07/389034707.db2.gz MLMOTMIBMPEHHY-UHFFFAOYSA-N 2 2 271.405 0.365 20 0 CCADLP COCC[N@H+](CC(=O)N1CC[NH+](C)CC1)CC(C)C ZINC000093159190 389034710 /nfs/dbraw/zinc/03/47/10/389034710.db2.gz MLMOTMIBMPEHHY-UHFFFAOYSA-N 2 2 271.405 0.365 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000358175770 389143786 /nfs/dbraw/zinc/14/37/86/389143786.db2.gz MXNXKRPNQWMLSD-KWCYVHTRSA-N 2 2 253.390 0.389 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000358175770 389143789 /nfs/dbraw/zinc/14/37/89/389143789.db2.gz MXNXKRPNQWMLSD-KWCYVHTRSA-N 2 2 253.390 0.389 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H]1NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000358175770 389143792 /nfs/dbraw/zinc/14/37/92/389143792.db2.gz MXNXKRPNQWMLSD-KWCYVHTRSA-N 2 2 253.390 0.389 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H]1NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000358175770 389143793 /nfs/dbraw/zinc/14/37/93/389143793.db2.gz MXNXKRPNQWMLSD-KWCYVHTRSA-N 2 2 253.390 0.389 20 0 CCADLP CC[NH+](CC)CCC[N@@H+]1CC[C@H](NC(=O)NC)C1 ZINC000338285075 389105736 /nfs/dbraw/zinc/10/57/36/389105736.db2.gz LQYMVTHWGAJNBW-LBPRGKRZSA-N 2 2 256.394 0.722 20 0 CCADLP CC[NH+](CC)CCC[N@H+]1CC[C@H](NC(=O)NC)C1 ZINC000338285075 389105739 /nfs/dbraw/zinc/10/57/39/389105739.db2.gz LQYMVTHWGAJNBW-LBPRGKRZSA-N 2 2 256.394 0.722 20 0 CCADLP C[C@H](NC(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000313342518 389113467 /nfs/dbraw/zinc/11/34/67/389113467.db2.gz GEOPBAAKYQLIJA-DZGCQCFKSA-N 2 2 291.395 0.913 20 0 CCADLP C[C@H](NC(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000313342518 389113469 /nfs/dbraw/zinc/11/34/69/389113469.db2.gz GEOPBAAKYQLIJA-DZGCQCFKSA-N 2 2 291.395 0.913 20 0 CCADLP CC(C)CCNC(=O)[C@H](C)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313400074 389114079 /nfs/dbraw/zinc/11/40/79/389114079.db2.gz SIZDNJZRMWSPTP-QWHCGFSZSA-N 2 2 271.405 0.587 20 0 CCADLP CC(C)CCNC(=O)[C@H](C)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313400074 389114082 /nfs/dbraw/zinc/11/40/82/389114082.db2.gz SIZDNJZRMWSPTP-QWHCGFSZSA-N 2 2 271.405 0.587 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH3+])N(CC[NH+]2CCOCC2)[C@H]1C ZINC000316400995 389120024 /nfs/dbraw/zinc/12/00/24/389120024.db2.gz MFKFWAGBGDYKSL-RDBSUJKOSA-N 2 2 255.406 0.766 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)C2(C[NH3+])CCCC2)CC1 ZINC000237082475 389181748 /nfs/dbraw/zinc/18/17/48/389181748.db2.gz QLVZTQOFDXQBKN-UHFFFAOYSA-N 3 2 296.459 0.648 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000340987673 389175670 /nfs/dbraw/zinc/17/56/70/389175670.db2.gz PLXSTUHVQGUOMM-RDBSUJKOSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000340987673 389175672 /nfs/dbraw/zinc/17/56/72/389175672.db2.gz PLXSTUHVQGUOMM-RDBSUJKOSA-N 2 2 298.431 0.489 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000342711708 389246244 /nfs/dbraw/zinc/24/62/44/389246244.db2.gz QUMOEYKNJQHKIN-SNVBAGLBSA-N 2 2 272.299 0.553 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCN1CC[NH+]2CCC[C@H]2C1 ZINC000248650295 389248647 /nfs/dbraw/zinc/24/86/47/389248647.db2.gz LYJSOEFWMPCYQC-KBPBESRZSA-N 2 2 253.390 0.487 20 0 CCADLP C[C@H]1COCC[N@H+]1CCN1CC[NH+]2CCC[C@H]2C1 ZINC000248650295 389248649 /nfs/dbraw/zinc/24/86/49/389248649.db2.gz LYJSOEFWMPCYQC-KBPBESRZSA-N 2 2 253.390 0.487 20 0 CCADLP C[C@H]1COCC[NH+]1CCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000248650295 389248651 /nfs/dbraw/zinc/24/86/51/389248651.db2.gz LYJSOEFWMPCYQC-KBPBESRZSA-N 2 2 253.390 0.487 20 0 CCADLP C[C@H]1COCC[NH+]1CCN1CC[N@H+]2CCC[C@H]2C1 ZINC000248650295 389248654 /nfs/dbraw/zinc/24/86/54/389248654.db2.gz LYJSOEFWMPCYQC-KBPBESRZSA-N 2 2 253.390 0.487 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C ZINC000342813633 389253878 /nfs/dbraw/zinc/25/38/78/389253878.db2.gz SMGHPSYICURUFN-NDBYEHHHSA-N 2 2 258.406 0.684 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C ZINC000342813633 389253881 /nfs/dbraw/zinc/25/38/81/389253881.db2.gz SMGHPSYICURUFN-NDBYEHHHSA-N 2 2 258.406 0.684 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC(=O)N1CCCCC1 ZINC000342821532 389253924 /nfs/dbraw/zinc/25/39/24/389253924.db2.gz NPHAWQNHMZCVFR-OLZOCXBDSA-N 2 2 253.390 0.929 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC(=O)N1CCCCC1 ZINC000342821532 389253926 /nfs/dbraw/zinc/25/39/26/389253926.db2.gz NPHAWQNHMZCVFR-OLZOCXBDSA-N 2 2 253.390 0.929 20 0 CCADLP C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1CC(C)(C)O ZINC000330782025 389254036 /nfs/dbraw/zinc/25/40/36/389254036.db2.gz OZMMWBWKKVGFNU-LBPRGKRZSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1CC(C)(C)O ZINC000330782025 389254038 /nfs/dbraw/zinc/25/40/38/389254038.db2.gz OZMMWBWKKVGFNU-LBPRGKRZSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1CC(C)(C)O ZINC000330782025 389254040 /nfs/dbraw/zinc/25/40/40/389254040.db2.gz OZMMWBWKKVGFNU-LBPRGKRZSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1CC(C)(C)O ZINC000330782025 389254041 /nfs/dbraw/zinc/25/40/41/389254041.db2.gz OZMMWBWKKVGFNU-LBPRGKRZSA-N 2 2 294.399 0.646 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000250372537 389260923 /nfs/dbraw/zinc/26/09/23/389260923.db2.gz JJLJCXSAEREQSH-UPJWGTAASA-N 2 2 251.374 0.681 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc[nH+]c(N(C)C)n1 ZINC000343246175 389261386 /nfs/dbraw/zinc/26/13/86/389261386.db2.gz DEBOJFKIJYQYMQ-OLZOCXBDSA-N 2 2 291.399 0.842 20 0 CCADLP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000364414515 389262816 /nfs/dbraw/zinc/26/28/16/389262816.db2.gz CZHBWPHFQFAPHT-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC2CCOCC2)[C@@H](C)C1 ZINC000245425950 389207292 /nfs/dbraw/zinc/20/72/92/389207292.db2.gz KZSUVUFKYZOBAE-DZGCQCFKSA-N 2 2 297.443 0.944 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC2CCOCC2)[C@@H](C)C1 ZINC000245425950 389207293 /nfs/dbraw/zinc/20/72/93/389207293.db2.gz KZSUVUFKYZOBAE-DZGCQCFKSA-N 2 2 297.443 0.944 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC2CCOCC2)[C@@H](C)C1 ZINC000245425950 389207295 /nfs/dbraw/zinc/20/72/95/389207295.db2.gz KZSUVUFKYZOBAE-DZGCQCFKSA-N 2 2 297.443 0.944 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC2CCOCC2)[C@@H](C)C1 ZINC000245425950 389207297 /nfs/dbraw/zinc/20/72/97/389207297.db2.gz KZSUVUFKYZOBAE-DZGCQCFKSA-N 2 2 297.443 0.944 20 0 CCADLP C(C[N@@H+]1CCCOCC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000361314563 389211383 /nfs/dbraw/zinc/21/13/83/389211383.db2.gz RZFQVLBAECOHOR-MRXNPFEDSA-N 2 2 297.443 0.505 20 0 CCADLP C(C[N@H+]1CCCOCC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000361314563 389211384 /nfs/dbraw/zinc/21/13/84/389211384.db2.gz RZFQVLBAECOHOR-MRXNPFEDSA-N 2 2 297.443 0.505 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H](O)COC[C@H]1CCCO1 ZINC000245608264 389213888 /nfs/dbraw/zinc/21/38/88/389213888.db2.gz KSCSNFXIWHMBIM-LSDHHAIUSA-N 2 2 297.399 0.762 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H](O)COC[C@H]1CCCO1 ZINC000245608264 389213891 /nfs/dbraw/zinc/21/38/91/389213891.db2.gz KSCSNFXIWHMBIM-LSDHHAIUSA-N 2 2 297.399 0.762 20 0 CCADLP COc1c[nH+]ccc1N1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000361527427 389218385 /nfs/dbraw/zinc/21/83/85/389218385.db2.gz RIGZGBSNOYBMGJ-GFCCVEGCSA-N 2 2 276.340 0.101 20 0 CCADLP CC[N@H+](CC(=O)NC[C@H](C)CN1CC[NH+](C)CC1)C1CC1 ZINC000132424312 389224044 /nfs/dbraw/zinc/22/40/44/389224044.db2.gz YLNQDFUOTIKWNX-AWEZNQCLSA-N 2 2 296.459 0.470 20 0 CCADLP CC[N@@H+](CC(=O)NC[C@H](C)CN1CC[NH+](C)CC1)C1CC1 ZINC000132424312 389224049 /nfs/dbraw/zinc/22/40/49/389224049.db2.gz YLNQDFUOTIKWNX-AWEZNQCLSA-N 2 2 296.459 0.470 20 0 CCADLP CC[C@H](C(N)=O)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246533976 389229564 /nfs/dbraw/zinc/22/95/64/389229564.db2.gz AXEGERUNBLTIIK-QWHCGFSZSA-N 2 2 269.389 0.295 20 0 CCADLP CC[C@H](C(N)=O)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246533976 389229566 /nfs/dbraw/zinc/22/95/66/389229566.db2.gz AXEGERUNBLTIIK-QWHCGFSZSA-N 2 2 269.389 0.295 20 0 CCADLP COC(=O)CC[N@H+](CCn1cc[nH+]c1)C[C@H]1CCCO1 ZINC000133608328 389236916 /nfs/dbraw/zinc/23/69/16/389236916.db2.gz BJLDFMNOTXNXFA-CYBMUJFWSA-N 2 2 281.356 0.927 20 0 CCADLP COC(=O)CC[N@@H+](CCn1cc[nH+]c1)C[C@H]1CCCO1 ZINC000133608328 389236920 /nfs/dbraw/zinc/23/69/20/389236920.db2.gz BJLDFMNOTXNXFA-CYBMUJFWSA-N 2 2 281.356 0.927 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000362573878 389238482 /nfs/dbraw/zinc/23/84/82/389238482.db2.gz YAIHKMCMKFUTBB-YPMHNXCESA-N 2 2 276.384 0.962 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000362573878 389238485 /nfs/dbraw/zinc/23/84/85/389238485.db2.gz YAIHKMCMKFUTBB-YPMHNXCESA-N 2 2 276.384 0.962 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000331683385 389310035 /nfs/dbraw/zinc/31/00/35/389310035.db2.gz ROPQOVHWNTWYIY-IUODEOHRSA-N 2 2 296.415 0.685 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000331683385 389310038 /nfs/dbraw/zinc/31/00/38/389310038.db2.gz ROPQOVHWNTWYIY-IUODEOHRSA-N 2 2 296.415 0.685 20 0 CCADLP CC(C)CNC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261592144 389273225 /nfs/dbraw/zinc/27/32/25/389273225.db2.gz YISWFWLAAWOAQY-OCCSQVGLSA-N 2 2 253.390 0.833 20 0 CCADLP CC(C)CNC(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261592144 389273227 /nfs/dbraw/zinc/27/32/27/389273227.db2.gz YISWFWLAAWOAQY-OCCSQVGLSA-N 2 2 253.390 0.833 20 0 CCADLP Cc1c[nH+]c(CN2CCO[C@H]3CC[N@H+](C)C[C@H]32)n1C ZINC000343919076 389275839 /nfs/dbraw/zinc/27/58/39/389275839.db2.gz PHBJAFJAFKXAFR-OLZOCXBDSA-N 2 2 264.373 0.633 20 0 CCADLP Cc1c[nH+]c(CN2CCO[C@H]3CC[N@@H+](C)C[C@H]32)n1C ZINC000343919076 389275841 /nfs/dbraw/zinc/27/58/41/389275841.db2.gz PHBJAFJAFKXAFR-OLZOCXBDSA-N 2 2 264.373 0.633 20 0 CCADLP C[C@H]1C[N@H+](Cc2cncn2C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343942745 389276757 /nfs/dbraw/zinc/27/67/57/389276757.db2.gz UJJOZJGPBVSXTC-HOCLYGCPSA-N 2 2 291.443 0.878 20 0 CCADLP C[C@H]1C[N@@H+](Cc2cncn2C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343942745 389276759 /nfs/dbraw/zinc/27/67/59/389276759.db2.gz UJJOZJGPBVSXTC-HOCLYGCPSA-N 2 2 291.443 0.878 20 0 CCADLP C1CC1[N@@H+]1CC[C@@H](N[C@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261971486 389279613 /nfs/dbraw/zinc/27/96/13/389279613.db2.gz QPQJDNIERBKBKD-OEAJRASXSA-N 2 2 279.428 0.970 20 0 CCADLP C1CC1[N@H+]1CC[C@@H](N[C@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261971486 389279614 /nfs/dbraw/zinc/27/96/14/389279614.db2.gz QPQJDNIERBKBKD-OEAJRASXSA-N 2 2 279.428 0.970 20 0 CCADLP CO[C@@H]1C[C@H](CN(C)CC[N@@H+]2CCOC[C@@H]2C)[NH+](C)C1 ZINC000345146725 389290767 /nfs/dbraw/zinc/29/07/67/389290767.db2.gz KBQWFJUFTIULOU-RRFJBIMHSA-N 2 2 285.432 0.358 20 0 CCADLP CO[C@@H]1C[C@H](CN(C)CC[N@H+]2CCOC[C@@H]2C)[NH+](C)C1 ZINC000345146725 389290771 /nfs/dbraw/zinc/29/07/71/389290771.db2.gz KBQWFJUFTIULOU-RRFJBIMHSA-N 2 2 285.432 0.358 20 0 CCADLP CO[C@@H]1C[C@H](CN(C)CC[NH+]2CCOC[C@@H]2C)[N@H+](C)C1 ZINC000345146725 389290774 /nfs/dbraw/zinc/29/07/74/389290774.db2.gz KBQWFJUFTIULOU-RRFJBIMHSA-N 2 2 285.432 0.358 20 0 CCADLP CO[C@@H]1C[C@H](CN(C)CC[NH+]2CCOC[C@@H]2C)[N@@H+](C)C1 ZINC000345146725 389290776 /nfs/dbraw/zinc/29/07/76/389290776.db2.gz KBQWFJUFTIULOU-RRFJBIMHSA-N 2 2 285.432 0.358 20 0 CCADLP C[C@@H]1C[C@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC000345267815 389295808 /nfs/dbraw/zinc/29/58/08/389295808.db2.gz ARJASVLDPLSZBJ-ZIAGYGMSSA-N 2 2 297.443 0.944 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000366376097 389299729 /nfs/dbraw/zinc/29/97/29/389299729.db2.gz PEAYBMQYZMPSFL-KGLIPLIRSA-N 2 2 292.383 0.400 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000366376097 389299732 /nfs/dbraw/zinc/29/97/32/389299732.db2.gz PEAYBMQYZMPSFL-KGLIPLIRSA-N 2 2 292.383 0.400 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000266855098 389368054 /nfs/dbraw/zinc/36/80/54/389368054.db2.gz RYKKSHTUSVSRJF-GFCCVEGCSA-N 2 2 287.323 0.536 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000266855098 389368056 /nfs/dbraw/zinc/36/80/56/389368056.db2.gz RYKKSHTUSVSRJF-GFCCVEGCSA-N 2 2 287.323 0.536 20 0 CCADLP Cc1nn(C)cc1[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000268923221 389395973 /nfs/dbraw/zinc/39/59/73/389395973.db2.gz PGEPDKCABDXTDT-SMDDNHRTSA-N 2 2 293.415 0.719 20 0 CCADLP Cc1nn(C)cc1[C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000268923221 389395975 /nfs/dbraw/zinc/39/59/75/389395975.db2.gz PGEPDKCABDXTDT-SMDDNHRTSA-N 2 2 293.415 0.719 20 0 CCADLP CC(C)N1C[C@@H]([NH2+][C@H](C)C[C@H]2COCC[NH2+]2)CC1=O ZINC000333288298 389408717 /nfs/dbraw/zinc/40/87/17/389408717.db2.gz NYKBLSPGVFCSMQ-AGIUHOORSA-N 2 2 269.389 0.352 20 0 CCADLP OC[C@@H]1CCCCN1c1cc(N[C@H]2CC[NH2+]C2)nc[nH+]1 ZINC000333478687 389414327 /nfs/dbraw/zinc/41/43/27/389414327.db2.gz FIFZWOZOSHHHRV-RYUDHWBXSA-N 2 2 277.372 0.602 20 0 CCADLP CCCNC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158609441 389347278 /nfs/dbraw/zinc/34/72/78/389347278.db2.gz GIDODLZQVMZDDO-CHWSQXEVSA-N 2 2 253.390 0.929 20 0 CCADLP CCCNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158609441 389347282 /nfs/dbraw/zinc/34/72/82/389347282.db2.gz GIDODLZQVMZDDO-CHWSQXEVSA-N 2 2 253.390 0.929 20 0 CCADLP CCCNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158609441 389347285 /nfs/dbraw/zinc/34/72/85/389347285.db2.gz GIDODLZQVMZDDO-CHWSQXEVSA-N 2 2 253.390 0.929 20 0 CCADLP CCCNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158609441 389347286 /nfs/dbraw/zinc/34/72/86/389347286.db2.gz GIDODLZQVMZDDO-CHWSQXEVSA-N 2 2 253.390 0.929 20 0 CCADLP Cn1ncc2c1nc(N1CCC(C[NH+](C)C)CC1)[nH+]c2N ZINC000408407404 389347870 /nfs/dbraw/zinc/34/78/70/389347870.db2.gz VCHLXUMCKQVBGC-UHFFFAOYSA-N 2 2 289.387 0.724 20 0 CCADLP COCCCNC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000158727081 389349789 /nfs/dbraw/zinc/34/97/89/389349789.db2.gz GRMRYAGSGVHPFC-KBPBESRZSA-N 2 2 283.416 0.555 20 0 CCADLP COCCCNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000158727081 389349795 /nfs/dbraw/zinc/34/97/95/389349795.db2.gz GRMRYAGSGVHPFC-KBPBESRZSA-N 2 2 283.416 0.555 20 0 CCADLP COCCCNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000158727081 389349797 /nfs/dbraw/zinc/34/97/97/389349797.db2.gz GRMRYAGSGVHPFC-KBPBESRZSA-N 2 2 283.416 0.555 20 0 CCADLP COCCCNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000158727081 389349800 /nfs/dbraw/zinc/34/98/00/389349800.db2.gz GRMRYAGSGVHPFC-KBPBESRZSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C[C@H](O)C[NH+]1CCOCC1 ZINC000347274285 389350296 /nfs/dbraw/zinc/35/02/96/389350296.db2.gz AAGYKWRFRUMUFN-OAGGEKHMSA-N 2 2 297.443 0.238 20 0 CCADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000347274287 389350640 /nfs/dbraw/zinc/35/06/40/389350640.db2.gz AAGYKWRFRUMUFN-OWCLPIDISA-N 2 2 297.443 0.238 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCOC2CCC2)CC1 ZINC000367737946 389352774 /nfs/dbraw/zinc/35/27/74/389352774.db2.gz QGOUZPPHEWNNQM-HNNXBMFYSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCOC2CCC2)CC1 ZINC000367737946 389352780 /nfs/dbraw/zinc/35/27/80/389352780.db2.gz QGOUZPPHEWNNQM-HNNXBMFYSA-N 2 2 295.427 0.794 20 0 CCADLP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422862447 389493640 /nfs/dbraw/zinc/49/36/40/389493640.db2.gz KGICAOSKWHIMRP-RBSFLKMASA-N 3 2 287.448 0.700 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1NCC[N@H+](C)C1CCCC1 ZINC000422739714 389463745 /nfs/dbraw/zinc/46/37/45/389463745.db2.gz LOYOFZKBQSLARS-KBPBESRZSA-N 2 2 283.416 0.744 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1NCC[N@@H+](C)C1CCCC1 ZINC000422739714 389463749 /nfs/dbraw/zinc/46/37/49/389463749.db2.gz LOYOFZKBQSLARS-KBPBESRZSA-N 2 2 283.416 0.744 20 0 CCADLP CC(C)(C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)N1CCOCC1 ZINC000422752050 389468027 /nfs/dbraw/zinc/46/80/27/389468027.db2.gz GQTFYHTZNHYDQC-HUUCEWRRSA-N 2 2 297.443 0.454 20 0 CCADLP O=C(NC[C@H]1CCC[NH2+]1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000422782722 389474582 /nfs/dbraw/zinc/47/45/82/389474582.db2.gz KENGZBRILPDCCR-LLVKDONJSA-N 2 2 271.324 0.749 20 0 CCADLP O=C(NC[C@@H]1CCC[NH2+]1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000422782724 389474788 /nfs/dbraw/zinc/47/47/88/389474788.db2.gz KENGZBRILPDCCR-NSHDSACASA-N 2 2 271.324 0.749 20 0 CCADLP c1cnn(CCC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422815904 389480825 /nfs/dbraw/zinc/48/08/25/389480825.db2.gz YNGPVDACHLWNMY-UONOGXRCSA-N 2 2 264.373 0.630 20 0 CCADLP c1c[nH+]c(CN2CC[NH+](C[C@@H]3CCOC3)CC2)[nH]1 ZINC000172268307 389487028 /nfs/dbraw/zinc/48/70/28/389487028.db2.gz GCNJDFCCEQUKAA-LBPRGKRZSA-N 2 2 250.346 0.564 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC[C@@H]1[NH3+] ZINC000422841039 389488704 /nfs/dbraw/zinc/48/87/04/389488704.db2.gz CMSUMIUDMYYXHA-SNPRPXQTSA-N 2 2 295.427 0.826 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC[C@@H]1[NH3+] ZINC000422841039 389488708 /nfs/dbraw/zinc/48/87/08/389488708.db2.gz CMSUMIUDMYYXHA-SNPRPXQTSA-N 2 2 295.427 0.826 20 0 CCADLP CCCNC(=O)C[NH+]1CCC(N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422844505 389489820 /nfs/dbraw/zinc/48/98/20/389489820.db2.gz LZKZKHYPNYCFES-HIFRSBDPSA-N 2 2 296.459 0.565 20 0 CCADLP COC(=O)CCC[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000371305613 389430849 /nfs/dbraw/zinc/43/08/49/389430849.db2.gz ZMDMHTVQHVWFGN-HUUCEWRRSA-N 2 2 297.443 0.897 20 0 CCADLP COC(=O)CCC[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000371305613 389430851 /nfs/dbraw/zinc/43/08/51/389430851.db2.gz ZMDMHTVQHVWFGN-HUUCEWRRSA-N 2 2 297.443 0.897 20 0 CCADLP C[C@@H]1CN(C(=O)NCCc2cn(C)c[nH+]2)C[C@H](C)[N@H+]1C ZINC000333608460 389436194 /nfs/dbraw/zinc/43/61/94/389436194.db2.gz NRXXRCWEAVSIAY-TXEJJXNPSA-N 2 2 279.388 0.697 20 0 CCADLP C[C@@H]1CN(C(=O)NCCc2cn(C)c[nH+]2)C[C@H](C)[N@@H+]1C ZINC000333608460 389436197 /nfs/dbraw/zinc/43/61/97/389436197.db2.gz NRXXRCWEAVSIAY-TXEJJXNPSA-N 2 2 279.388 0.697 20 0 CCADLP CN(C(=O)C1(C)COC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371709218 389436538 /nfs/dbraw/zinc/43/65/38/389436538.db2.gz UXDYOJAMSOYPDE-CQSZACIVSA-N 2 2 295.427 0.650 20 0 CCADLP CN(C(=O)C1(C)COC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371709218 389436540 /nfs/dbraw/zinc/43/65/40/389436540.db2.gz UXDYOJAMSOYPDE-CQSZACIVSA-N 2 2 295.427 0.650 20 0 CCADLP O=C(N[C@@H]1CC[NH2+]C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000333635656 389437751 /nfs/dbraw/zinc/43/77/51/389437751.db2.gz HHWSCWWKDXGEBC-CYBMUJFWSA-N 2 2 289.383 0.271 20 0 CCADLP C[C@@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000167319788 389444313 /nfs/dbraw/zinc/44/43/13/389444313.db2.gz BIFISEOCDZWFTC-NEPJUHHUSA-N 2 2 255.362 0.047 20 0 CCADLP Cc1nnc([C@@H](C)[N@H+](C)CCCN(C)CC[NH+](C)C)[nH]1 ZINC000411739694 389446366 /nfs/dbraw/zinc/44/63/66/389446366.db2.gz XCGGWVICOUQIQG-GFCCVEGCSA-N 2 2 282.436 0.989 20 0 CCADLP Cc1nnc([C@@H](C)[N@@H+](C)CCCN(C)CC[NH+](C)C)[nH]1 ZINC000411739694 389446370 /nfs/dbraw/zinc/44/63/70/389446370.db2.gz XCGGWVICOUQIQG-GFCCVEGCSA-N 2 2 282.436 0.989 20 0 CCADLP Cc1nnc([C@H](C)[N@H+](C)CCCN(C)CC[NH+](C)C)[nH]1 ZINC000411739702 389446619 /nfs/dbraw/zinc/44/66/19/389446619.db2.gz XCGGWVICOUQIQG-LBPRGKRZSA-N 2 2 282.436 0.989 20 0 CCADLP Cc1nnc([C@H](C)[N@@H+](C)CCCN(C)CC[NH+](C)C)[nH]1 ZINC000411739702 389446622 /nfs/dbraw/zinc/44/66/22/389446622.db2.gz XCGGWVICOUQIQG-LBPRGKRZSA-N 2 2 282.436 0.989 20 0 CCADLP C[NH2+][C@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000422705491 389454917 /nfs/dbraw/zinc/45/49/17/389454917.db2.gz CFPDHXOJYPRLPG-GXTWGEPZSA-N 2 2 281.400 0.450 20 0 CCADLP C[NH2+][C@H]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000422705491 389454921 /nfs/dbraw/zinc/45/49/21/389454921.db2.gz CFPDHXOJYPRLPG-GXTWGEPZSA-N 2 2 281.400 0.450 20 0 CCADLP C[NH2+][C@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000422705492 389455355 /nfs/dbraw/zinc/45/53/55/389455355.db2.gz CFPDHXOJYPRLPG-JSGCOSHPSA-N 2 2 281.400 0.450 20 0 CCADLP C[NH2+][C@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000422705492 389455358 /nfs/dbraw/zinc/45/53/58/389455358.db2.gz CFPDHXOJYPRLPG-JSGCOSHPSA-N 2 2 281.400 0.450 20 0 CCADLP C(CN1CCSCC1)[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422710338 389456791 /nfs/dbraw/zinc/45/67/91/389456791.db2.gz LRVOVJLOPYKAKG-KBPBESRZSA-N 2 2 285.457 0.392 20 0 CCADLP [NH3+][C@H]1CCC[C@H]1[NH2+]CC(=O)NCCc1ccccc1 ZINC000422936845 389507601 /nfs/dbraw/zinc/50/76/01/389507601.db2.gz NABJQUQZVFRVRX-UONOGXRCSA-N 2 2 261.369 0.815 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC(=O)NCCc1ccccc1 ZINC000422936844 389508197 /nfs/dbraw/zinc/50/81/97/389508197.db2.gz NABJQUQZVFRVRX-KGLIPLIRSA-N 2 2 261.369 0.815 20 0 CCADLP CCC(O)(CC)C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422969745 389512391 /nfs/dbraw/zinc/51/23/91/389512391.db2.gz DMNFBZXSEQYRCC-QWHCGFSZSA-N 2 2 256.390 0.894 20 0 CCADLP O=C(NCC[N@H+]1CC=CCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000373758809 389513388 /nfs/dbraw/zinc/51/33/88/389513388.db2.gz PUXQLHUXDWCENX-ZDUSSCGKSA-N 2 2 274.368 0.824 20 0 CCADLP O=C(NCC[N@@H+]1CC=CCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000373758809 389513391 /nfs/dbraw/zinc/51/33/91/389513391.db2.gz PUXQLHUXDWCENX-ZDUSSCGKSA-N 2 2 274.368 0.824 20 0 CCADLP CCc1nn(C)c(OC)c1C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422991563 389518219 /nfs/dbraw/zinc/51/82/19/389518219.db2.gz OUHDIIHYXDHCGP-NWDGAFQWSA-N 2 2 296.415 0.848 20 0 CCADLP COC(=O)[C@@H]1CN(c2cc(C)cc[nH+]2)CC[N@H+](C)C1 ZINC000413501594 389524649 /nfs/dbraw/zinc/52/46/49/389524649.db2.gz PLHLWDOKMQWPBH-LBPRGKRZSA-N 2 2 263.341 0.931 20 0 CCADLP COC(=O)[C@@H]1CN(c2cc(C)cc[nH+]2)CC[N@@H+](C)C1 ZINC000413501594 389524655 /nfs/dbraw/zinc/52/46/55/389524655.db2.gz PLHLWDOKMQWPBH-LBPRGKRZSA-N 2 2 263.341 0.931 20 0 CCADLP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)[NH+](C)C ZINC000413524917 389526249 /nfs/dbraw/zinc/52/62/49/389526249.db2.gz XNYWOZQYDYOKNW-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CCOC1CC(O)(C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)C1 ZINC000423091554 389532446 /nfs/dbraw/zinc/53/24/46/389532446.db2.gz XNJWYQBZWUONIQ-MRFVTOPCSA-N 2 2 272.389 0.273 20 0 CCADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC(=O)NCC(F)F ZINC000423103688 389535432 /nfs/dbraw/zinc/53/54/32/389535432.db2.gz XVQKFXLKTBZMHG-ZYHUDNBSSA-N 2 2 285.338 0.916 20 0 CCADLP CCC[N@H+](CC)C[C@H](C)N[C@H]1CC[NH2+][C@H]1C(=O)OCC ZINC000423138340 389542236 /nfs/dbraw/zinc/54/22/36/389542236.db2.gz IWEWZOPDUMKBFX-MELADBBJSA-N 2 2 285.432 0.990 20 0 CCADLP CCC[N@@H+](CC)C[C@H](C)N[C@H]1CC[NH2+][C@H]1C(=O)OCC ZINC000423138340 389542240 /nfs/dbraw/zinc/54/22/40/389542240.db2.gz IWEWZOPDUMKBFX-MELADBBJSA-N 2 2 285.432 0.990 20 0 CCADLP COCCN1CC[C@H]([NH2+]CCC[NH2+]Cc2cccnc2)C1 ZINC000423192415 389551286 /nfs/dbraw/zinc/55/12/86/389551286.db2.gz VFJKSYCQBPOQDM-INIZCTEOSA-N 2 2 292.427 0.872 20 0 CCADLP CNC(=O)NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374209868 389558592 /nfs/dbraw/zinc/55/85/92/389558592.db2.gz RQGVCTKPUBGKQE-UHFFFAOYSA-N 2 2 265.317 0.045 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H]2C[C@H](C)CC[NH2+]2)CC1 ZINC000423302817 389560761 /nfs/dbraw/zinc/56/07/61/389560761.db2.gz KRSZJFYZPUYIBH-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP CC1(C(=O)NCCc2cn3c([nH+]2)CCCC3)C[NH2+]C1 ZINC000423324972 389565969 /nfs/dbraw/zinc/56/59/69/389565969.db2.gz LJEFYIPUZJSYSK-UHFFFAOYSA-N 2 2 262.357 0.488 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCC[N@H+](CC)C(C)C ZINC000422879191 389498220 /nfs/dbraw/zinc/49/82/20/389498220.db2.gz LQNNIZFPPGWBSV-QWHCGFSZSA-N 2 2 271.405 0.600 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCC[N@@H+](CC)C(C)C ZINC000422879191 389498223 /nfs/dbraw/zinc/49/82/23/389498223.db2.gz LQNNIZFPPGWBSV-QWHCGFSZSA-N 2 2 271.405 0.600 20 0 CCADLP COCC[N@@H+]1CC[C@@H](N[C@@H](C)c2c[nH+]ccc2N)C1 ZINC000422889920 389499772 /nfs/dbraw/zinc/49/97/72/389499772.db2.gz QVKZYGXGYQRJGK-NWDGAFQWSA-N 2 2 264.373 0.865 20 0 CCADLP COCC[N@H+]1CC[C@@H](N[C@@H](C)c2c[nH+]ccc2N)C1 ZINC000422889920 389499777 /nfs/dbraw/zinc/49/97/77/389499777.db2.gz QVKZYGXGYQRJGK-NWDGAFQWSA-N 2 2 264.373 0.865 20 0 CCADLP COCCN1CC[C@@H]([NH2+][C@@H](C)c2c[nH+]ccc2N)C1 ZINC000422889920 389499781 /nfs/dbraw/zinc/49/97/81/389499781.db2.gz QVKZYGXGYQRJGK-NWDGAFQWSA-N 2 2 264.373 0.865 20 0 CCADLP C[NH+](C)C1CC[NH+](CCCN2CCOCC2)CC1 ZINC000173521985 389503625 /nfs/dbraw/zinc/50/36/25/389503625.db2.gz ZAYBXFAXKVCRRG-UHFFFAOYSA-N 2 2 255.406 0.735 20 0 CCADLP C[C@H](CCN1CCOCC1)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422909942 389504262 /nfs/dbraw/zinc/50/42/62/389504262.db2.gz GYWIZDVHSCADSS-MCIONIFRSA-N 2 2 255.406 0.685 20 0 CCADLP C[C@H](CC[NH+]1CCOCC1)N[C@H]1C[NH2+]CC[C@H]1C ZINC000422909942 389504265 /nfs/dbraw/zinc/50/42/65/389504265.db2.gz GYWIZDVHSCADSS-MCIONIFRSA-N 2 2 255.406 0.685 20 0 CCADLP C[C@H](CCN1CCOCC1)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422909943 389504499 /nfs/dbraw/zinc/50/44/99/389504499.db2.gz GYWIZDVHSCADSS-MGPQQGTHSA-N 2 2 255.406 0.685 20 0 CCADLP C[C@H](CC[NH+]1CCOCC1)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000422909943 389504503 /nfs/dbraw/zinc/50/45/03/389504503.db2.gz GYWIZDVHSCADSS-MGPQQGTHSA-N 2 2 255.406 0.685 20 0 CCADLP CC(C)COC[C@@H](O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414314567 389611264 /nfs/dbraw/zinc/61/12/64/389611264.db2.gz LJBVNGBEVJXTTN-ZDUSSCGKSA-N 2 2 284.404 0.609 20 0 CCADLP CC(C)[C@@H](C[NH3+])C(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000423878483 389613362 /nfs/dbraw/zinc/61/33/62/389613362.db2.gz URCYIISAJUBEHU-CHWSQXEVSA-N 2 2 293.415 0.466 20 0 CCADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]([NH3+])c3ccccc3)C[C@@H]21 ZINC000423926885 389614611 /nfs/dbraw/zinc/61/46/11/389614611.db2.gz FAXQEHARXIVBIE-ZNMIVQPWSA-N 2 2 289.379 0.618 20 0 CCADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]([NH3+])c3ccccc3)C[C@@H]21 ZINC000423926885 389614614 /nfs/dbraw/zinc/61/46/14/389614614.db2.gz FAXQEHARXIVBIE-ZNMIVQPWSA-N 2 2 289.379 0.618 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[NH+]2CCC1CC2 ZINC000336022602 389620514 /nfs/dbraw/zinc/62/05/14/389620514.db2.gz VPCVMVOOYHYJHJ-UHFFFAOYSA-N 2 2 263.345 0.410 20 0 CCADLP CC(C)[C@@H](C[NH3+])C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424196681 389620918 /nfs/dbraw/zinc/62/09/18/389620918.db2.gz VNFMXPXNTBNXIV-VHSXEESVSA-N 2 2 263.332 0.578 20 0 CCADLP CC(=O)N[C@H](C)C1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351584344 389622142 /nfs/dbraw/zinc/62/21/42/389622142.db2.gz VXSVNIAVDUFJOB-MLGOLLRUSA-N 2 2 297.443 0.678 20 0 CCADLP CC(=O)N[C@H](C)C1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351584344 389622146 /nfs/dbraw/zinc/62/21/46/389622146.db2.gz VXSVNIAVDUFJOB-MLGOLLRUSA-N 2 2 297.443 0.678 20 0 CCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC000424289145 389623081 /nfs/dbraw/zinc/62/30/81/389623081.db2.gz BKAAJTCEHDXREK-HTQZYQBOSA-N 2 2 253.268 0.524 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(O)(C(F)F)CC1)C1CC1 ZINC000351612992 389634030 /nfs/dbraw/zinc/63/40/30/389634030.db2.gz ZCVWYYYSFPHMLI-LLVKDONJSA-N 2 2 278.343 0.534 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(O)(C(F)F)CC1)C1CC1 ZINC000351612992 389634033 /nfs/dbraw/zinc/63/40/33/389634033.db2.gz ZCVWYYYSFPHMLI-LLVKDONJSA-N 2 2 278.343 0.534 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000414736273 389634272 /nfs/dbraw/zinc/63/42/72/389634272.db2.gz GLCFUQAATHILBH-YPMHNXCESA-N 2 2 268.405 0.896 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000414736273 389634276 /nfs/dbraw/zinc/63/42/76/389634276.db2.gz GLCFUQAATHILBH-YPMHNXCESA-N 2 2 268.405 0.896 20 0 CCADLP COCCO[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351621529 389637856 /nfs/dbraw/zinc/63/78/56/389637856.db2.gz QCLDXOMSPPHFME-ZIAGYGMSSA-N 2 2 272.389 0.179 20 0 CCADLP COCCO[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351621529 389637859 /nfs/dbraw/zinc/63/78/59/389637859.db2.gz QCLDXOMSPPHFME-ZIAGYGMSSA-N 2 2 272.389 0.179 20 0 CCADLP COCCO[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000351621529 389637864 /nfs/dbraw/zinc/63/78/64/389637864.db2.gz QCLDXOMSPPHFME-ZIAGYGMSSA-N 2 2 272.389 0.179 20 0 CCADLP COCCO[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351621529 389637868 /nfs/dbraw/zinc/63/78/68/389637868.db2.gz QCLDXOMSPPHFME-ZIAGYGMSSA-N 2 2 272.389 0.179 20 0 CCADLP C[C@H]1COC(C)(C)C[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351628489 389639152 /nfs/dbraw/zinc/63/91/52/389639152.db2.gz JWQQQQCMTMTJPP-WCQYABFASA-N 2 2 256.390 0.941 20 0 CCADLP C[C@H]1COC(C)(C)C[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351628489 389639159 /nfs/dbraw/zinc/63/91/59/389639159.db2.gz JWQQQQCMTMTJPP-WCQYABFASA-N 2 2 256.390 0.941 20 0 CCADLP C[C@H]1COC(C)(C)C[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000351628489 389639165 /nfs/dbraw/zinc/63/91/65/389639165.db2.gz JWQQQQCMTMTJPP-WCQYABFASA-N 2 2 256.390 0.941 20 0 CCADLP C[C@H]1COC(C)(C)C[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351628489 389639166 /nfs/dbraw/zinc/63/91/66/389639166.db2.gz JWQQQQCMTMTJPP-WCQYABFASA-N 2 2 256.390 0.941 20 0 CCADLP COC(=O)CCn1nc(C)c(C[NH2+][C@H]2CCC[NH2+]C2)c1C ZINC000414866201 389641479 /nfs/dbraw/zinc/64/14/79/389641479.db2.gz MMGWTABOBYUJJX-ZDUSSCGKSA-N 2 2 294.399 0.905 20 0 CCADLP COCC[NH2+]CC[NH2+]Cc1cnc2n[nH]c(C)c2c1 ZINC000414885403 389642846 /nfs/dbraw/zinc/64/28/46/389642846.db2.gz ORXMLBXROWPBBD-UHFFFAOYSA-N 2 2 263.345 0.592 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C(=O)N=c2ccn(CC[NH+](C)C)[nH]2)C1 ZINC000423365283 389574172 /nfs/dbraw/zinc/57/41/72/389574172.db2.gz BAEFZOOEJNJZFI-NEPJUHHUSA-N 2 2 279.388 0.193 20 0 CCADLP C[C@H](NC(=O)[C@H]([NH3+])C1CCC1)[C@H](C)[NH+]1CCOCC1 ZINC000423383972 389576399 /nfs/dbraw/zinc/57/63/99/389576399.db2.gz PQCUYFYMHGDQNI-GMXVVIOVSA-N 2 2 269.389 0.339 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000335579518 389577307 /nfs/dbraw/zinc/57/73/07/389577307.db2.gz OFQTYGMJLDQEOB-LLVKDONJSA-N 2 2 262.357 0.654 20 0 CCADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+][C@H](C)C[NH3+] ZINC000414928188 389645017 /nfs/dbraw/zinc/64/50/17/389645017.db2.gz LXZHCNQBYYXVIW-SNVBAGLBSA-N 2 2 282.388 0.888 20 0 CCADLP CCOCC[NH+]1CCN(Cc2c[nH+]cn2C)CC1 ZINC000177278973 389577961 /nfs/dbraw/zinc/57/79/61/389577961.db2.gz XJURMTGSRMLXMC-UHFFFAOYSA-N 2 2 252.362 0.574 20 0 CCADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H](C)C1 ZINC000423433012 389586083 /nfs/dbraw/zinc/58/60/83/389586083.db2.gz MRYUURDYFUULFK-ARKGTOAJSA-N 3 2 281.444 0.931 20 0 CCADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H](C)C1 ZINC000423433012 389586090 /nfs/dbraw/zinc/58/60/90/389586090.db2.gz MRYUURDYFUULFK-ARKGTOAJSA-N 3 2 281.444 0.931 20 0 CCADLP CC(=O)N(C)C1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351482133 389588024 /nfs/dbraw/zinc/58/80/24/389588024.db2.gz ZAJCIAHPNDOBGH-HNNXBMFYSA-N 2 2 283.416 0.384 20 0 CCADLP CC(=O)N(C)C1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351482133 389588026 /nfs/dbraw/zinc/58/80/26/389588026.db2.gz ZAJCIAHPNDOBGH-HNNXBMFYSA-N 2 2 283.416 0.384 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000280060652 389596546 /nfs/dbraw/zinc/59/65/46/389596546.db2.gz WTEAQAQMWJLISM-CYBMUJFWSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000280060652 389596549 /nfs/dbraw/zinc/59/65/49/389596549.db2.gz WTEAQAQMWJLISM-CYBMUJFWSA-N 2 2 280.372 0.305 20 0 CCADLP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000423524897 389599643 /nfs/dbraw/zinc/59/96/43/389599643.db2.gz OUQQFGPRADXDIC-JSGCOSHPSA-N 2 2 277.368 0.982 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1C[C@H]1C ZINC000414107742 389601220 /nfs/dbraw/zinc/60/12/20/389601220.db2.gz ZDHOFAMWJKVPCG-TUVASFSCSA-N 2 2 295.427 0.554 20 0 CCADLP COC(=O)[C@@H]1CC12CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)CC2 ZINC000351520725 389603507 /nfs/dbraw/zinc/60/35/07/389603507.db2.gz SMLDVUFGESZTKX-KGLIPLIRSA-N 2 2 296.411 0.717 20 0 CCADLP COC(=O)[C@@H]1CC12CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)CC2 ZINC000351520725 389603511 /nfs/dbraw/zinc/60/35/11/389603511.db2.gz SMLDVUFGESZTKX-KGLIPLIRSA-N 2 2 296.411 0.717 20 0 CCADLP C[C@H]1CC[C@H]([N@H+](CCO)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000351646241 389646345 /nfs/dbraw/zinc/64/63/45/389646345.db2.gz FXRCCZBAJXPZOA-KBPBESRZSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@H]1CC[C@H]([N@@H+](CCO)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000351646241 389646348 /nfs/dbraw/zinc/64/63/48/389646348.db2.gz FXRCCZBAJXPZOA-KBPBESRZSA-N 2 2 283.416 0.243 20 0 CCADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCC(=O)NC(N)=O)C1 ZINC000428654962 389712037 /nfs/dbraw/zinc/71/20/37/389712037.db2.gz KOPMOYXPUDVYLP-NSHDSACASA-N 2 2 293.371 0.260 20 0 CCADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000428654962 389712038 /nfs/dbraw/zinc/71/20/38/389712038.db2.gz KOPMOYXPUDVYLP-NSHDSACASA-N 2 2 293.371 0.260 20 0 CCADLP CCOC(=O)Cn1nc(C)c(C[NH2+]C[C@@H]([NH3+])CC)c1C ZINC000414981850 389650504 /nfs/dbraw/zinc/65/05/04/389650504.db2.gz CHCFNHATCDLBSI-LBPRGKRZSA-N 2 2 282.388 0.890 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2CCC[C@@H]2O)CC1 ZINC000179280081 389651460 /nfs/dbraw/zinc/65/14/60/389651460.db2.gz KHSSTTAXAFKFQG-KBPBESRZSA-N 2 2 298.431 0.225 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000415047246 389654546 /nfs/dbraw/zinc/65/45/46/389654546.db2.gz VWZQQXPYRTWVFF-CQSZACIVSA-N 2 2 278.352 0.941 20 0 CCADLP Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])c(C)[nH+]1 ZINC000415471071 389686119 /nfs/dbraw/zinc/68/61/19/389686119.db2.gz PJKPYRITAIIMRG-LLVKDONJSA-N 2 2 276.340 0.587 20 0 CCADLP CNC(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000428302834 389691173 /nfs/dbraw/zinc/69/11/73/389691173.db2.gz NWRGBTMSVDOHNO-LLVKDONJSA-N 2 2 250.346 0.421 20 0 CCADLP CNC(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000428302834 389691176 /nfs/dbraw/zinc/69/11/76/389691176.db2.gz NWRGBTMSVDOHNO-LLVKDONJSA-N 2 2 250.346 0.421 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000351863905 389702694 /nfs/dbraw/zinc/70/26/94/389702694.db2.gz VOJBBDZRJMZEGP-AEJSXWLSSA-N 2 2 279.306 0.819 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000351863905 389702696 /nfs/dbraw/zinc/70/26/96/389702696.db2.gz VOJBBDZRJMZEGP-AEJSXWLSSA-N 2 2 279.306 0.819 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000351863202 389702772 /nfs/dbraw/zinc/70/27/72/389702772.db2.gz SVFXJLZUGMXDEP-GVXVVHGQSA-N 2 2 277.372 0.195 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000351863202 389702774 /nfs/dbraw/zinc/70/27/74/389702774.db2.gz SVFXJLZUGMXDEP-GVXVVHGQSA-N 2 2 277.372 0.195 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000351863203 389702905 /nfs/dbraw/zinc/70/29/05/389702905.db2.gz SVFXJLZUGMXDEP-LOWVWBTDSA-N 2 2 277.372 0.195 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000351863203 389702908 /nfs/dbraw/zinc/70/29/08/389702908.db2.gz SVFXJLZUGMXDEP-LOWVWBTDSA-N 2 2 277.372 0.195 20 0 CCADLP C[C@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)[NH+]1CCOCC1 ZINC000429560024 389760017 /nfs/dbraw/zinc/76/00/17/389760017.db2.gz IVRFDIBFMRWGLD-CYBMUJFWSA-N 2 2 295.427 0.698 20 0 CCADLP CC(C)(CNC(=O)N[C@H](C[NH3+])C1CC1)[NH+]1CCOCC1 ZINC000416827778 389774948 /nfs/dbraw/zinc/77/49/48/389774948.db2.gz NVXHTHQCDICNSO-GFCCVEGCSA-N 2 2 284.404 0.134 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@H](CO)C(C)(C)C)n1C ZINC000393979381 389775239 /nfs/dbraw/zinc/77/52/39/389775239.db2.gz XRMDYOSVLSJPOW-LLVKDONJSA-N 2 2 254.378 0.983 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)NCCn1cc[nH+]c1 ZINC000416838613 389775548 /nfs/dbraw/zinc/77/55/48/389775548.db2.gz CEDHTIZBPINMCC-LLVKDONJSA-N 2 2 253.350 0.556 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000352255338 389779352 /nfs/dbraw/zinc/77/93/52/389779352.db2.gz FGIPIIHIQOJAAG-LBPRGKRZSA-N 2 2 277.434 0.294 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000352255338 389779356 /nfs/dbraw/zinc/77/93/56/389779356.db2.gz FGIPIIHIQOJAAG-LBPRGKRZSA-N 2 2 277.434 0.294 20 0 CCADLP C[C@H](C(=O)N1CCC[C@@H]([NH+](C)C)CC1)[NH+]1CCN(C)CC1 ZINC000430422354 389800249 /nfs/dbraw/zinc/80/02/49/389800249.db2.gz DOJGBZCYZUGQQA-HUUCEWRRSA-N 2 2 296.459 0.565 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCCC[C@H]1C[NH3+] ZINC000417024895 389790807 /nfs/dbraw/zinc/79/08/07/389790807.db2.gz LDASKNGQERTRPX-STQMWFEESA-N 2 2 284.404 0.230 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000417044315 389791588 /nfs/dbraw/zinc/79/15/88/389791588.db2.gz YIWCEDLRSSSPIZ-AGIUHOORSA-N 2 2 284.404 0.099 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1C[C@@]2(CCOC2)OC(C)(C)C1)C1CC1 ZINC000352341410 389793132 /nfs/dbraw/zinc/79/31/32/389793132.db2.gz GZGIVJOFRBEPIK-GDBMZVCRSA-N 2 2 298.427 0.711 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1C[C@@]2(CCOC2)OC(C)(C)C1)C1CC1 ZINC000352341410 389793134 /nfs/dbraw/zinc/79/31/34/389793134.db2.gz GZGIVJOFRBEPIK-GDBMZVCRSA-N 2 2 298.427 0.711 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1)C1CC1 ZINC000352341410 389793136 /nfs/dbraw/zinc/79/31/36/389793136.db2.gz GZGIVJOFRBEPIK-GDBMZVCRSA-N 2 2 298.427 0.711 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1)C1CC1 ZINC000352341410 389793138 /nfs/dbraw/zinc/79/31/38/389793138.db2.gz GZGIVJOFRBEPIK-GDBMZVCRSA-N 2 2 298.427 0.711 20 0 CCADLP [NH3+]CCCNC(=O)NCCCNc1cccc[nH+]1 ZINC000417074209 389793943 /nfs/dbraw/zinc/79/39/43/389793943.db2.gz IWJSXPGQPQLLTK-UHFFFAOYSA-N 2 2 251.334 0.532 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H](C2CC2)O1 ZINC000375930335 389726437 /nfs/dbraw/zinc/72/64/37/389726437.db2.gz YOJZACRSMLACAN-JSGCOSHPSA-N 2 2 281.400 0.260 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H](C2CC2)O1 ZINC000375930335 389726442 /nfs/dbraw/zinc/72/64/42/389726442.db2.gz YOJZACRSMLACAN-JSGCOSHPSA-N 2 2 281.400 0.260 20 0 CCADLP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000183173686 389726587 /nfs/dbraw/zinc/72/65/87/389726587.db2.gz APCNBDXPZVIOOM-VXGBXAGGSA-N 2 2 250.346 0.859 20 0 CCADLP C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CCCn1cc[nH+]c1 ZINC000183173686 389726592 /nfs/dbraw/zinc/72/65/92/389726592.db2.gz APCNBDXPZVIOOM-VXGBXAGGSA-N 2 2 250.346 0.859 20 0 CCADLP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)NCC3CC3)C2)C1 ZINC000429005845 389733060 /nfs/dbraw/zinc/73/30/60/389733060.db2.gz KOAYIFCQBLEGLB-AWEZNQCLSA-N 2 2 251.374 0.540 20 0 CCADLP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)NCC3CC3)C2)C1 ZINC000429005845 389733062 /nfs/dbraw/zinc/73/30/62/389733062.db2.gz KOAYIFCQBLEGLB-AWEZNQCLSA-N 2 2 251.374 0.540 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)NCC3CC3)C2)C1 ZINC000429005845 389733069 /nfs/dbraw/zinc/73/30/69/389733069.db2.gz KOAYIFCQBLEGLB-AWEZNQCLSA-N 2 2 251.374 0.540 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)NCC3CC3)C2)C1 ZINC000429005845 389733074 /nfs/dbraw/zinc/73/30/74/389733074.db2.gz KOAYIFCQBLEGLB-AWEZNQCLSA-N 2 2 251.374 0.540 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)NCCCn1cc[nH+]c1 ZINC000416434999 389742699 /nfs/dbraw/zinc/74/26/99/389742699.db2.gz XQEGQBMKTNBOFK-GFCCVEGCSA-N 2 2 267.377 0.946 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCC[NH+]1CCOCC1 ZINC000416432654 389742799 /nfs/dbraw/zinc/74/27/99/389742799.db2.gz LMAGRFAHQCIHHW-QWHCGFSZSA-N 2 2 284.404 0.230 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000416436525 389743069 /nfs/dbraw/zinc/74/30/69/389743069.db2.gz IZHROMLLHFWDIE-TZMCWYRMSA-N 2 2 279.388 0.961 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)C2)CC1 ZINC000377195763 389745646 /nfs/dbraw/zinc/74/56/46/389745646.db2.gz GASITUHQZIAPTE-TZMCWYRMSA-N 3 2 296.459 0.645 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)C2)CC1 ZINC000377195763 389745647 /nfs/dbraw/zinc/74/56/47/389745647.db2.gz GASITUHQZIAPTE-TZMCWYRMSA-N 3 2 296.459 0.645 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@H](C2CC2)O1 ZINC000352364623 389798124 /nfs/dbraw/zinc/79/81/24/389798124.db2.gz GVTNRRFBLKSRBK-KCPJHIHWSA-N 2 2 268.401 0.941 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@H](C2CC2)O1 ZINC000352364623 389798126 /nfs/dbraw/zinc/79/81/26/389798126.db2.gz GVTNRRFBLKSRBK-KCPJHIHWSA-N 2 2 268.401 0.941 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)C[C@H](C2CC2)O1 ZINC000352364623 389798129 /nfs/dbraw/zinc/79/81/29/389798129.db2.gz GVTNRRFBLKSRBK-KCPJHIHWSA-N 2 2 268.401 0.941 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C[C@H](C2CC2)O1 ZINC000352364623 389798132 /nfs/dbraw/zinc/79/81/32/389798132.db2.gz GVTNRRFBLKSRBK-KCPJHIHWSA-N 2 2 268.401 0.941 20 0 CCADLP CNC(=O)Cc1nc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cs1 ZINC000430538244 389806255 /nfs/dbraw/zinc/80/62/55/389806255.db2.gz JIJIDPXAEZPCMB-GHMZBOCLSA-N 2 2 296.440 0.991 20 0 CCADLP CNC(=O)Cc1nc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cs1 ZINC000430538244 389806258 /nfs/dbraw/zinc/80/62/58/389806258.db2.gz JIJIDPXAEZPCMB-GHMZBOCLSA-N 2 2 296.440 0.991 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000430550509 389806582 /nfs/dbraw/zinc/80/65/82/389806582.db2.gz GPSHYMPVHBDACQ-OBJOEFQTSA-N 2 2 291.399 0.585 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000430550509 389806585 /nfs/dbraw/zinc/80/65/85/389806585.db2.gz GPSHYMPVHBDACQ-OBJOEFQTSA-N 2 2 291.399 0.585 20 0 CCADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[NH2+]CC1 ZINC000417274967 389807036 /nfs/dbraw/zinc/80/70/36/389807036.db2.gz ZVHVUPSFFORXMQ-UHFFFAOYSA-N 2 2 285.351 0.987 20 0 CCADLP CCCC[N@H+](CCO)Cc1nc(C(C)(C)[NH3+])no1 ZINC000430565213 389807615 /nfs/dbraw/zinc/80/76/15/389807615.db2.gz OYZWKZMBUMLDIV-UHFFFAOYSA-N 2 2 256.350 0.858 20 0 CCADLP CCCC[N@@H+](CCO)Cc1nc(C(C)(C)[NH3+])no1 ZINC000430565213 389807618 /nfs/dbraw/zinc/80/76/18/389807618.db2.gz OYZWKZMBUMLDIV-UHFFFAOYSA-N 2 2 256.350 0.858 20 0 CCADLP Cc1cnn([C@@H]2CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)C2)c1 ZINC000352416203 389807815 /nfs/dbraw/zinc/80/78/15/389807815.db2.gz SBKOQZKPVYPHNI-HUUCEWRRSA-N 2 2 278.400 0.893 20 0 CCADLP Cc1cnn([C@@H]2CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)C2)c1 ZINC000352416203 389807817 /nfs/dbraw/zinc/80/78/17/389807817.db2.gz SBKOQZKPVYPHNI-HUUCEWRRSA-N 2 2 278.400 0.893 20 0 CCADLP Cc1cnn([C@@H]2CC[N@@H+](C[C@H](O)C[NH+](C)C3CC3)C2)c1 ZINC000352416203 389807818 /nfs/dbraw/zinc/80/78/18/389807818.db2.gz SBKOQZKPVYPHNI-HUUCEWRRSA-N 2 2 278.400 0.893 20 0 CCADLP Cc1cnn([C@@H]2CC[N@H+](C[C@H](O)C[NH+](C)C3CC3)C2)c1 ZINC000352416203 389807819 /nfs/dbraw/zinc/80/78/19/389807819.db2.gz SBKOQZKPVYPHNI-HUUCEWRRSA-N 2 2 278.400 0.893 20 0 CCADLP Cc1nn(C)c(C)c1NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000430568915 389808415 /nfs/dbraw/zinc/80/84/15/389808415.db2.gz KXZFYGCYCDPGOQ-AWEZNQCLSA-N 2 2 281.404 0.938 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CC(C)(C)C[NH3+])CC1 ZINC000430579548 389809351 /nfs/dbraw/zinc/80/93/51/389809351.db2.gz CHCMIDDNJWLUOH-CYBMUJFWSA-N 3 2 284.448 0.456 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+])CC1 ZINC000430579548 389809352 /nfs/dbraw/zinc/80/93/52/389809352.db2.gz CHCMIDDNJWLUOH-CYBMUJFWSA-N 3 2 284.448 0.456 20 0 CCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)NCCCN1CCCC1=O ZINC000430585086 389810006 /nfs/dbraw/zinc/81/00/06/389810006.db2.gz WDVFMWZYNXSQOP-OAHLLOKOSA-N 2 2 298.431 0.078 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000417502780 389821551 /nfs/dbraw/zinc/82/15/51/389821551.db2.gz BZOIOWKUFFOVFF-IHRRRGAJSA-N 2 2 298.431 0.618 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000417502780 389821552 /nfs/dbraw/zinc/82/15/52/389821552.db2.gz BZOIOWKUFFOVFF-IHRRRGAJSA-N 2 2 298.431 0.618 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)NCCC[NH2+]C1CC1 ZINC000417502037 389821725 /nfs/dbraw/zinc/82/17/25/389821725.db2.gz JFCASRYSWQGVID-UHFFFAOYSA-N 2 2 298.431 0.539 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)NCCC[NH2+]C1CC1 ZINC000417502037 389821728 /nfs/dbraw/zinc/82/17/28/389821728.db2.gz JFCASRYSWQGVID-UHFFFAOYSA-N 2 2 298.431 0.539 20 0 CCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000417529622 389826996 /nfs/dbraw/zinc/82/69/96/389826996.db2.gz QYSMUMCECWFHAY-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000417529622 389826998 /nfs/dbraw/zinc/82/69/98/389826998.db2.gz QYSMUMCECWFHAY-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH2+]C[C@H]1CCCN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC000417528795 389827065 /nfs/dbraw/zinc/82/70/65/389827065.db2.gz PXHNLUODADMRLT-ZIAGYGMSSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH2+]C[C@H]1CCCN(C(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC000417528795 389827067 /nfs/dbraw/zinc/82/70/67/389827067.db2.gz PXHNLUODADMRLT-ZIAGYGMSSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH2+]C[C@@H]1CCCN1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000417534109 389828183 /nfs/dbraw/zinc/82/81/83/389828183.db2.gz YMEIUVYEUGAOPE-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP C[NH2+]C[C@@H]1CCCN1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000417534109 389828185 /nfs/dbraw/zinc/82/81/85/389828185.db2.gz YMEIUVYEUGAOPE-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP CCCN(C(=O)[C@H](C)[NH+]1CCOCC1)C1CC[NH2+]CC1 ZINC000430835276 389828204 /nfs/dbraw/zinc/82/82/04/389828204.db2.gz CDXJZPKLEJAHQA-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)C[NH3+])cc1 ZINC000430839557 389828314 /nfs/dbraw/zinc/82/83/14/389828314.db2.gz TVRRTWHDNCWZIM-AWEZNQCLSA-N 2 2 277.368 0.443 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000430889494 389832428 /nfs/dbraw/zinc/83/24/28/389832428.db2.gz NNPPSAQTOAGTLI-MRVPVSSYSA-N 2 2 278.278 0.917 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC[C@H]1[NH3+] ZINC000430936617 389836816 /nfs/dbraw/zinc/83/68/16/389836816.db2.gz VHJPGQSRSYWWGY-SWLSCSKDSA-N 3 2 294.443 0.399 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC[C@H]1[NH3+] ZINC000430936617 389836818 /nfs/dbraw/zinc/83/68/18/389836818.db2.gz VHJPGQSRSYWWGY-SWLSCSKDSA-N 3 2 294.443 0.399 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@]1(O)CCSC1 ZINC000352812125 389838355 /nfs/dbraw/zinc/83/83/55/389838355.db2.gz ZFVSXUOWLNSMPH-KGYLQXTDSA-N 2 2 256.415 0.927 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@]1(O)CCSC1 ZINC000352812125 389838358 /nfs/dbraw/zinc/83/83/58/389838358.db2.gz ZFVSXUOWLNSMPH-KGYLQXTDSA-N 2 2 256.415 0.927 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000352814111 389838596 /nfs/dbraw/zinc/83/85/96/389838596.db2.gz DPFIWVWOUJLMRE-OAGGEKHMSA-N 2 2 297.443 0.238 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430950944 389839155 /nfs/dbraw/zinc/83/91/55/389839155.db2.gz SWYPWDHDILJGBO-ZIAGYGMSSA-N 2 2 285.432 0.834 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430950944 389839157 /nfs/dbraw/zinc/83/91/57/389839157.db2.gz SWYPWDHDILJGBO-ZIAGYGMSSA-N 2 2 285.432 0.834 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)CC1 ZINC000430949503 389839257 /nfs/dbraw/zinc/83/92/57/389839257.db2.gz NXAVOOZNDVRRKT-UKRRQHHQSA-N 3 2 296.459 0.645 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)CC1 ZINC000430949503 389839262 /nfs/dbraw/zinc/83/92/62/389839262.db2.gz NXAVOOZNDVRRKT-UKRRQHHQSA-N 3 2 296.459 0.645 20 0 CCADLP O=C(C[NH2+]CC1CC1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000431002305 389843509 /nfs/dbraw/zinc/84/35/09/389843509.db2.gz BMPBNHPSLNVOPD-UHFFFAOYSA-N 2 2 277.372 0.054 20 0 CCADLP [NH3+][C@H]1CC[C@@H](C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000431002714 389843596 /nfs/dbraw/zinc/84/35/96/389843596.db2.gz NRBRWFHOLGSNQR-NEPJUHHUSA-N 2 2 277.372 0.181 20 0 CCADLP Cn1cc(C[NH+]2CCN(C(=O)[C@]3(C)CC[NH2+]C3)CC2)cn1 ZINC000431007471 389844322 /nfs/dbraw/zinc/84/43/22/389844322.db2.gz GMGKHSPAKHDDRO-OAHLLOKOSA-N 2 2 291.399 0.064 20 0 CCADLP O=c1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)nc2cc[nH]n21 ZINC000431039677 389847164 /nfs/dbraw/zinc/84/71/64/389847164.db2.gz JGVCYKUCOBOWGQ-UHFFFAOYSA-N 2 2 287.367 0.598 20 0 CCADLP CO[C@@H](C)C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000443212012 389875366 /nfs/dbraw/zinc/87/53/66/389875366.db2.gz CPDRGZUFSBBORE-AWEZNQCLSA-N 2 2 285.432 0.408 20 0 CCADLP CO[C@@H](C)C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000443212012 389875368 /nfs/dbraw/zinc/87/53/68/389875368.db2.gz CPDRGZUFSBBORE-AWEZNQCLSA-N 2 2 285.432 0.408 20 0 CCADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444272227 389898889 /nfs/dbraw/zinc/89/88/89/389898889.db2.gz XPADRLBSIJDGEE-CQSZACIVSA-N 2 2 291.399 0.043 20 0 CCADLP C[NH+](C)CC(=O)Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000447676528 389962566 /nfs/dbraw/zinc/96/25/66/389962566.db2.gz FQEFGSMYTFAIAA-UHFFFAOYSA-N 2 2 290.367 0.030 20 0 CCADLP C[NH+](C)CC(=O)Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000447676528 389962568 /nfs/dbraw/zinc/96/25/68/389962568.db2.gz FQEFGSMYTFAIAA-UHFFFAOYSA-N 2 2 290.367 0.030 20 0 CCADLP CCS(=O)(=O)NCCC[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000420264928 389975576 /nfs/dbraw/zinc/97/55/76/389975576.db2.gz AUIQZKQTECBFLF-NEPJUHHUSA-N 2 2 277.434 0.518 20 0 CCADLP CCS(=O)(=O)NCCC[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000420264928 389975577 /nfs/dbraw/zinc/97/55/77/389975577.db2.gz AUIQZKQTECBFLF-NEPJUHHUSA-N 2 2 277.434 0.518 20 0 CCADLP C[C@H](O)CNc1cc(N[C@H]2CCC[C@@H]([NH3+])C2)nc[nH+]1 ZINC000420243373 389971675 /nfs/dbraw/zinc/97/16/75/389971675.db2.gz XCZZZADETVQDRE-AXFHLTTASA-N 2 2 265.361 0.951 20 0 CCADLP C[C@H](O)CNc1cc(N[C@H]2CCC[C@@H]([NH3+])C2)[nH+]cn1 ZINC000420243373 389971677 /nfs/dbraw/zinc/97/16/77/389971677.db2.gz XCZZZADETVQDRE-AXFHLTTASA-N 2 2 265.361 0.951 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1(N2CCOCC2)CC1 ZINC000446974082 389943543 /nfs/dbraw/zinc/94/35/43/389943543.db2.gz GWVZNXGKXOIMGV-HIFRSBDPSA-N 2 2 279.428 0.924 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1(N2CCOCC2)CC1 ZINC000446974082 389943545 /nfs/dbraw/zinc/94/35/45/389943545.db2.gz GWVZNXGKXOIMGV-HIFRSBDPSA-N 2 2 279.428 0.924 20 0 CCADLP CC[NH+](CC)CCNC(=O)NCCc1cn(C)c[nH+]1 ZINC000457394816 390042264 /nfs/dbraw/zinc/04/22/64/390042264.db2.gz UBUZEJPPPNSYBQ-UHFFFAOYSA-N 2 2 267.377 0.604 20 0 CCADLP Cc1nc(N(C)C)nc(NC[C@H]2CCC[C@@H]([NH3+])C2)[nH+]1 ZINC000420281761 389977387 /nfs/dbraw/zinc/97/73/87/389977387.db2.gz MPAWBWPLZUEEPG-WDEREUQCSA-N 2 2 264.377 0.597 20 0 CCADLP Cc1nc(NC[C@H]2CCC[C@@H]([NH3+])C2)nc(N(C)C)[nH+]1 ZINC000420281761 389977389 /nfs/dbraw/zinc/97/73/89/389977389.db2.gz MPAWBWPLZUEEPG-WDEREUQCSA-N 2 2 264.377 0.597 20 0 CCADLP CN(C)c1[nH+]cc(CNC[C@H](O)C[NH+]2CCCC2)n1C ZINC000436481345 389977829 /nfs/dbraw/zinc/97/78/29/389977829.db2.gz YGRDRKOBNXWUDD-ZDUSSCGKSA-N 2 2 281.404 0.032 20 0 CCADLP O=C(NCC[N@@H+]1CCCOCC1)N1CC[NH+](C2CC2)CC1 ZINC000436509013 389978628 /nfs/dbraw/zinc/97/86/28/389978628.db2.gz FDTGJDLHBFNVCG-UHFFFAOYSA-N 2 2 296.415 0.198 20 0 CCADLP O=C(NCC[N@H+]1CCCOCC1)N1CC[NH+](C2CC2)CC1 ZINC000436509013 389978629 /nfs/dbraw/zinc/97/86/29/389978629.db2.gz FDTGJDLHBFNVCG-UHFFFAOYSA-N 2 2 296.415 0.198 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000448231921 389980997 /nfs/dbraw/zinc/98/09/97/389980997.db2.gz VPDAJVKNLZDGMG-UKRRQHHQSA-N 2 2 291.395 0.913 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000448231921 389980999 /nfs/dbraw/zinc/98/09/99/389980999.db2.gz VPDAJVKNLZDGMG-UKRRQHHQSA-N 2 2 291.395 0.913 20 0 CCADLP CCCCCNC(=O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000420309134 389981566 /nfs/dbraw/zinc/98/15/66/389981566.db2.gz OHZMMVKFEIVSLH-AWEZNQCLSA-N 2 2 253.390 0.978 20 0 CCADLP CCCCCNC(=O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000420309134 389981568 /nfs/dbraw/zinc/98/15/68/389981568.db2.gz OHZMMVKFEIVSLH-AWEZNQCLSA-N 2 2 253.390 0.978 20 0 CCADLP C[N@@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)C[C@@H](O)C[NH3+] ZINC000420349257 389987657 /nfs/dbraw/zinc/98/76/57/389987657.db2.gz CHDNOKFIAJDYCL-IXUJDMMCSA-N 2 2 295.427 0.323 20 0 CCADLP C[N@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)C[C@@H](O)C[NH3+] ZINC000420349257 389987658 /nfs/dbraw/zinc/98/76/58/389987658.db2.gz CHDNOKFIAJDYCL-IXUJDMMCSA-N 2 2 295.427 0.323 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH3+])[C@@H]1CCN(c2ccccc2F)C1=O ZINC000420349984 389988683 /nfs/dbraw/zinc/98/86/83/389988683.db2.gz FLXYHIMSELHCMP-GXFFZTMASA-N 2 2 281.331 0.182 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH3+])[C@@H]1CCN(c2ccccc2F)C1=O ZINC000420349984 389988686 /nfs/dbraw/zinc/98/86/86/389988686.db2.gz FLXYHIMSELHCMP-GXFFZTMASA-N 2 2 281.331 0.182 20 0 CCADLP CCN(C(=O)[C@H](C)[N@H+](C)C[C@@H](O)C[NH3+])c1ccccc1 ZINC000420358415 389990594 /nfs/dbraw/zinc/99/05/94/389990594.db2.gz UHDUEDUIDWIDHW-JSGCOSHPSA-N 2 2 279.384 0.679 20 0 CCADLP CCN(C(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])c1ccccc1 ZINC000420358415 389990595 /nfs/dbraw/zinc/99/05/95/389990595.db2.gz UHDUEDUIDWIDHW-JSGCOSHPSA-N 2 2 279.384 0.679 20 0 CCADLP CCOCCNC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420366825 389992523 /nfs/dbraw/zinc/99/25/23/389992523.db2.gz MNWBACKSZFJWKJ-NQBHXWOUSA-N 2 2 257.378 0.115 20 0 CCADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H]1CCCOC1 ZINC000449390630 389993416 /nfs/dbraw/zinc/99/34/16/389993416.db2.gz GYZBKPZVIAEOEP-UONOGXRCSA-N 2 2 256.390 0.849 20 0 CCADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H]1CCCOC1 ZINC000449390630 389993419 /nfs/dbraw/zinc/99/34/19/389993419.db2.gz GYZBKPZVIAEOEP-UONOGXRCSA-N 2 2 256.390 0.849 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C[C@H](C)O1 ZINC000420387907 389995795 /nfs/dbraw/zinc/99/57/95/389995795.db2.gz WJOVUBJRYJNFOY-LZWOXQAQSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C[C@H](C)O1 ZINC000420387907 389995797 /nfs/dbraw/zinc/99/57/97/389995797.db2.gz WJOVUBJRYJNFOY-LZWOXQAQSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)C2C[NH+](C3CCCCC3)C2)C1 ZINC000457507024 390045443 /nfs/dbraw/zinc/04/54/43/390045443.db2.gz JOQCRUYZKYFSCT-HNNXBMFYSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)C2C[NH+](C3CCCCC3)C2)C1 ZINC000457507024 390045445 /nfs/dbraw/zinc/04/54/45/390045445.db2.gz JOQCRUYZKYFSCT-HNNXBMFYSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+](C2CC2)C1 ZINC000452178224 390006457 /nfs/dbraw/zinc/00/64/57/390006457.db2.gz YNRIRUROAFDPPE-JSGCOSHPSA-N 2 2 281.400 0.260 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+](C2CC2)C1 ZINC000452178224 390006458 /nfs/dbraw/zinc/00/64/58/390006458.db2.gz YNRIRUROAFDPPE-JSGCOSHPSA-N 2 2 281.400 0.260 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+](C2CC2)C1 ZINC000452178224 390006459 /nfs/dbraw/zinc/00/64/59/390006459.db2.gz YNRIRUROAFDPPE-JSGCOSHPSA-N 2 2 281.400 0.260 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+](C2CC2)C1 ZINC000452178224 390006460 /nfs/dbraw/zinc/00/64/60/390006460.db2.gz YNRIRUROAFDPPE-JSGCOSHPSA-N 2 2 281.400 0.260 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+](C)C ZINC000456213491 390013687 /nfs/dbraw/zinc/01/36/87/390013687.db2.gz IGXHZPUUPYTRMJ-MJBXVCDLSA-N 2 2 283.416 0.552 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+](C)C ZINC000456213491 390013688 /nfs/dbraw/zinc/01/36/88/390013688.db2.gz IGXHZPUUPYTRMJ-MJBXVCDLSA-N 2 2 283.416 0.552 20 0 CCADLP CN(C[C@@H]1CCC[N@@H+]1C)c1cc(N2CCOCC2)[nH+]cn1 ZINC000420637964 390019706 /nfs/dbraw/zinc/01/97/06/390019706.db2.gz PTDYEVQHTPVGAP-ZDUSSCGKSA-N 2 2 291.399 0.844 20 0 CCADLP CN(C[C@@H]1CCC[N@H+]1C)c1cc(N2CCOCC2)[nH+]cn1 ZINC000420637964 390019707 /nfs/dbraw/zinc/01/97/07/390019707.db2.gz PTDYEVQHTPVGAP-ZDUSSCGKSA-N 2 2 291.399 0.844 20 0 CCADLP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000440120493 390032575 /nfs/dbraw/zinc/03/25/75/390032575.db2.gz QTOCKMVTPYNKBD-OLZOCXBDSA-N 2 2 276.384 0.904 20 0 CCADLP CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000440120493 390032577 /nfs/dbraw/zinc/03/25/77/390032577.db2.gz QTOCKMVTPYNKBD-OLZOCXBDSA-N 2 2 276.384 0.904 20 0 CCADLP CCOCCNC(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000440360759 390036107 /nfs/dbraw/zinc/03/61/07/390036107.db2.gz SFCQARRWBJBUBL-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP CCOCCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000440360759 390036109 /nfs/dbraw/zinc/03/61/09/390036109.db2.gz SFCQARRWBJBUBL-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP CCOCCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000440360759 390036110 /nfs/dbraw/zinc/03/61/10/390036110.db2.gz SFCQARRWBJBUBL-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP CCOCCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000440360759 390036112 /nfs/dbraw/zinc/03/61/12/390036112.db2.gz SFCQARRWBJBUBL-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CCN2C(=O)N[C@@H](C)C2=O)C1 ZINC000459347721 390072915 /nfs/dbraw/zinc/07/29/15/390072915.db2.gz CVRBCOMQXXYJFM-STQMWFEESA-N 2 2 296.415 0.590 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCN2C(=O)N[C@@H](C)C2=O)C1 ZINC000459347721 390072916 /nfs/dbraw/zinc/07/29/16/390072916.db2.gz CVRBCOMQXXYJFM-STQMWFEESA-N 2 2 296.415 0.590 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CCN2C(=O)N[C@@H](C)C2=O)C1 ZINC000459347721 390072917 /nfs/dbraw/zinc/07/29/17/390072917.db2.gz CVRBCOMQXXYJFM-STQMWFEESA-N 2 2 296.415 0.590 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCN2C(=O)N[C@@H](C)C2=O)C1 ZINC000459347721 390072918 /nfs/dbraw/zinc/07/29/18/390072918.db2.gz CVRBCOMQXXYJFM-STQMWFEESA-N 2 2 296.415 0.590 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)NCCOCC[NH+](C)C ZINC000471650919 390078454 /nfs/dbraw/zinc/07/84/54/390078454.db2.gz YDLJBAIMFXJFSK-UHFFFAOYSA-N 2 2 283.376 0.140 20 0 CCADLP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[NH+](CCO)CC1 ZINC000478717957 390080940 /nfs/dbraw/zinc/08/09/40/390080940.db2.gz UOMLVRYYWUIWDU-ZDUSSCGKSA-N 2 2 271.405 0.290 20 0 CCADLP Cc1nc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000488428688 390093953 /nfs/dbraw/zinc/09/39/53/390093953.db2.gz DCNDMCDZPJNPJE-GXSJLCMTSA-N 2 2 264.377 0.563 20 0 CCADLP Cc1nc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000488428688 390093954 /nfs/dbraw/zinc/09/39/54/390093954.db2.gz DCNDMCDZPJNPJE-GXSJLCMTSA-N 2 2 264.377 0.563 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCC[N@@H+]1C ZINC000488534938 390094618 /nfs/dbraw/zinc/09/46/18/390094618.db2.gz KMWHLLSCYXYOHH-UPJWGTAASA-N 2 2 291.399 0.980 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCC[N@H+]1C ZINC000488534938 390094619 /nfs/dbraw/zinc/09/46/19/390094619.db2.gz KMWHLLSCYXYOHH-UPJWGTAASA-N 2 2 291.399 0.980 20 0 CCADLP CC(C)CN1C[C@@H]2C[N@H+](CCn3cc[nH+]c3)CCN2C1=O ZINC000488793903 390096398 /nfs/dbraw/zinc/09/63/98/390096398.db2.gz JAIWZPOWPJTHHV-AWEZNQCLSA-N 2 2 291.399 0.961 20 0 CCADLP CC(C)CN1C[C@@H]2C[N@@H+](CCn3cc[nH+]c3)CCN2C1=O ZINC000488793903 390096399 /nfs/dbraw/zinc/09/63/99/390096399.db2.gz JAIWZPOWPJTHHV-AWEZNQCLSA-N 2 2 291.399 0.961 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493145269 390119610 /nfs/dbraw/zinc/11/96/10/390119610.db2.gz FUHZLWPYTHTUFA-VSQXVHSFSA-N 2 2 278.356 0.602 20 0 CCADLP C=CC(=O)NCCC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000490602767 390106400 /nfs/dbraw/zinc/10/64/00/390106400.db2.gz ZPOXOGAMIOKGSB-UHFFFAOYSA-N 2 2 285.307 0.898 20 0 CCADLP CC[C@H](O)C[NH+]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493196860 390120660 /nfs/dbraw/zinc/12/06/60/390120660.db2.gz KRJYAVKUQCARTR-PCAWENJQSA-N 2 2 278.356 0.338 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC(C)(C)C[NH+](C)C ZINC000457740603 390049224 /nfs/dbraw/zinc/04/92/24/390049224.db2.gz ILKGTBGOKUAJRS-LBPRGKRZSA-N 2 2 286.420 0.347 20 0 CCADLP Cc1ccc(/C=C/C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cn1 ZINC000493395997 390124815 /nfs/dbraw/zinc/12/48/15/390124815.db2.gz DRZYJGNKCUEHLU-VBROQKIQSA-N 2 2 274.368 0.505 20 0 CCADLP Cc1ccc(/C=C/C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cn1 ZINC000493395997 390124816 /nfs/dbraw/zinc/12/48/16/390124816.db2.gz DRZYJGNKCUEHLU-VBROQKIQSA-N 2 2 274.368 0.505 20 0 CCADLP CC[C@H](O)C[NH+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493863700 390130121 /nfs/dbraw/zinc/13/01/21/390130121.db2.gz ZVMRLUHYMKLGIA-SCOBNMCVSA-N 2 2 278.356 0.338 20 0 CCADLP C[C@@H](C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CC(C)C1 ZINC000579023251 390136100 /nfs/dbraw/zinc/13/61/00/390136100.db2.gz LDZXCKPSZBSOLX-ZNMIVQPWSA-N 2 2 297.443 0.894 20 0 CCADLP C[C@@H](C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CC(C)C1 ZINC000579023251 390136102 /nfs/dbraw/zinc/13/61/02/390136102.db2.gz LDZXCKPSZBSOLX-ZNMIVQPWSA-N 2 2 297.443 0.894 20 0 CCADLP O=C(c1ccc2[nH+]ccn2c1)N1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000579112310 390142226 /nfs/dbraw/zinc/14/22/26/390142226.db2.gz BZNWWLDEHAZPHF-QWHCGFSZSA-N 2 2 286.335 0.537 20 0 CCADLP C[C@@H](O)CNc1cc(N2CC[NH+](C)CC2)nc[nH+]1 ZINC000647844155 390190100 /nfs/dbraw/zinc/19/01/00/390190100.db2.gz TUFCANKAICYZQD-SNVBAGLBSA-N 2 2 251.334 0.021 20 0 CCADLP COC(=O)C(C)(C)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000494412584 390171959 /nfs/dbraw/zinc/17/19/59/390171959.db2.gz QLVZKXXWKBDKPN-UHFFFAOYSA-N 2 2 294.399 0.842 20 0 CCADLP Cn1cnc(CCC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)n1 ZINC000647801564 390177042 /nfs/dbraw/zinc/17/70/42/390177042.db2.gz YHTGMOFQTPLVOJ-OCCSQVGLSA-N 2 2 279.388 0.104 20 0 CCADLP CC[C@H](O)C[NH+]1CCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000647868722 390199963 /nfs/dbraw/zinc/19/99/63/390199963.db2.gz HKAUGNRKSQYBOF-NSHDSACASA-N 2 2 293.371 0.174 20 0 CCADLP C[N@H+](CCOCC[NH3+])Cc1nc2ccccc2c(=O)[nH]1 ZINC000647871171 390200813 /nfs/dbraw/zinc/20/08/13/390200813.db2.gz UCVBFIYOUIBFRW-UHFFFAOYSA-N 2 2 276.340 0.743 20 0 CCADLP C[N@@H+](CCOCC[NH3+])Cc1nc2ccccc2c(=O)[nH]1 ZINC000647871171 390200817 /nfs/dbraw/zinc/20/08/17/390200817.db2.gz UCVBFIYOUIBFRW-UHFFFAOYSA-N 2 2 276.340 0.743 20 0 CCADLP O[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C(F)(F)F ZINC000579824837 390211345 /nfs/dbraw/zinc/21/13/45/390211345.db2.gz WJWQHOYODGCMRD-TUAOUCFPSA-N 2 2 296.333 0.877 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccon3)C[C@@H]21 ZINC000647907917 390213642 /nfs/dbraw/zinc/21/36/42/390213642.db2.gz QUOZUKZGXRMYNR-GARJFASQSA-N 2 2 264.329 0.094 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccon3)C[C@@H]21 ZINC000647907917 390213646 /nfs/dbraw/zinc/21/36/46/390213646.db2.gz QUOZUKZGXRMYNR-GARJFASQSA-N 2 2 264.329 0.094 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)[C@H]1C ZINC000495089028 390216628 /nfs/dbraw/zinc/21/66/28/390216628.db2.gz XAOZZEGSRZXHGC-VOAKCMCISA-N 2 2 253.390 0.960 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)[C@H]1C ZINC000495089028 390216630 /nfs/dbraw/zinc/21/66/30/390216630.db2.gz XAOZZEGSRZXHGC-VOAKCMCISA-N 2 2 253.390 0.960 20 0 CCADLP COC(=O)C[N@H+](CCCn1cc[nH+]c1)C1CCOCC1 ZINC000540467342 390220317 /nfs/dbraw/zinc/22/03/17/390220317.db2.gz RCVMYSUQLDZGAJ-UHFFFAOYSA-N 2 2 281.356 0.927 20 0 CCADLP COC(=O)C[N@@H+](CCCn1cc[nH+]c1)C1CCOCC1 ZINC000540467342 390220321 /nfs/dbraw/zinc/22/03/21/390220321.db2.gz RCVMYSUQLDZGAJ-UHFFFAOYSA-N 2 2 281.356 0.927 20 0 CCADLP CC[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)CC[C@H]1[NH3+] ZINC000647934552 390222023 /nfs/dbraw/zinc/22/20/23/390222023.db2.gz IUNRVAFOEZIUCR-VXGBXAGGSA-N 2 2 274.430 0.870 20 0 CCADLP CC[C@@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)CC[C@H]1[NH3+] ZINC000647934552 390222027 /nfs/dbraw/zinc/22/20/27/390222027.db2.gz IUNRVAFOEZIUCR-VXGBXAGGSA-N 2 2 274.430 0.870 20 0 CCADLP CC[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C1CCOCC1 ZINC000579691224 390197979 /nfs/dbraw/zinc/19/79/79/390197979.db2.gz JWCDHEBGDQJHKY-KGLIPLIRSA-N 2 2 298.431 0.476 20 0 CCADLP CC[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C1CCOCC1 ZINC000579691224 390197981 /nfs/dbraw/zinc/19/79/81/390197981.db2.gz JWCDHEBGDQJHKY-KGLIPLIRSA-N 2 2 298.431 0.476 20 0 CCADLP Cn1nnc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647977914 390237134 /nfs/dbraw/zinc/23/71/34/390237134.db2.gz JSTIFGVJZPWUJO-RYUDHWBXSA-N 2 2 264.377 0.422 20 0 CCADLP Cn1nnc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647977914 390237136 /nfs/dbraw/zinc/23/71/36/390237136.db2.gz JSTIFGVJZPWUJO-RYUDHWBXSA-N 2 2 264.377 0.422 20 0 CCADLP CCCn1ncnc1C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000580312286 390237675 /nfs/dbraw/zinc/23/76/75/390237675.db2.gz DNEZFHNEOQIWRQ-ZDUSSCGKSA-N 2 2 293.415 0.875 20 0 CCADLP CCCn1ncnc1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000580312286 390237678 /nfs/dbraw/zinc/23/76/78/390237678.db2.gz DNEZFHNEOQIWRQ-ZDUSSCGKSA-N 2 2 293.415 0.875 20 0 CCADLP Fc1cncc(N2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)c1 ZINC000647991521 390240788 /nfs/dbraw/zinc/24/07/88/390240788.db2.gz FYNZTJBGONPZFA-LBPRGKRZSA-N 2 2 264.348 0.952 20 0 CCADLP CS(=O)(=O)C[C@H]([NH2+]C[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000647992223 390242035 /nfs/dbraw/zinc/24/20/35/390242035.db2.gz UPOBSZDEKBUJLT-JSGCOSHPSA-N 2 2 282.409 0.971 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CC[C@@H]2CCNC2=O)CC1 ZINC000647969415 390233337 /nfs/dbraw/zinc/23/33/37/390233337.db2.gz XMDWLQAHFIZMAS-LBPRGKRZSA-N 2 2 277.372 0.068 20 0 CCADLP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+] ZINC000580293778 390234790 /nfs/dbraw/zinc/23/47/90/390234790.db2.gz QPEAIAWUZSMGNT-KBPBESRZSA-N 3 2 299.463 0.391 20 0 CCADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+] ZINC000580293778 390234793 /nfs/dbraw/zinc/23/47/93/390234793.db2.gz QPEAIAWUZSMGNT-KBPBESRZSA-N 3 2 299.463 0.391 20 0 CCADLP CCC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000580293778 390234795 /nfs/dbraw/zinc/23/47/95/390234795.db2.gz QPEAIAWUZSMGNT-KBPBESRZSA-N 3 2 299.463 0.391 20 0 CCADLP CCC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000580293778 390234799 /nfs/dbraw/zinc/23/47/99/390234799.db2.gz QPEAIAWUZSMGNT-KBPBESRZSA-N 3 2 299.463 0.391 20 0 CCADLP O[C@H](CN[C@H]1CC[N@@H+](C2CCCC2)C1)C[NH+]1CCOCC1 ZINC000644550021 390250395 /nfs/dbraw/zinc/25/03/95/390250395.db2.gz PSFZFOMIHXPIEH-GOEBONIOSA-N 2 2 297.443 0.286 20 0 CCADLP O[C@H](CN[C@H]1CC[N@H+](C2CCCC2)C1)C[NH+]1CCOCC1 ZINC000644550021 390250396 /nfs/dbraw/zinc/25/03/96/390250396.db2.gz PSFZFOMIHXPIEH-GOEBONIOSA-N 2 2 297.443 0.286 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+][C@H]2CC[N@H+](CC3CC3)C2)no1 ZINC000644556933 390252040 /nfs/dbraw/zinc/25/20/40/390252040.db2.gz VCDOUAKURNPEJR-ZDUSSCGKSA-N 2 2 292.383 0.807 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)no1 ZINC000644556933 390252042 /nfs/dbraw/zinc/25/20/42/390252042.db2.gz VCDOUAKURNPEJR-ZDUSSCGKSA-N 2 2 292.383 0.807 20 0 CCADLP C[C@@H](C[NH2+]C[C@H]1CCCn2cc[nH+]c21)S(C)(=O)=O ZINC000644604304 390264741 /nfs/dbraw/zinc/26/47/41/390264741.db2.gz NUEBTQXNRGCFKY-WDEREUQCSA-N 2 2 271.386 0.783 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@@H]21 ZINC000582183636 390267055 /nfs/dbraw/zinc/26/70/55/390267055.db2.gz USMRUBLPVGFRQA-BZPMIXESSA-N 2 2 274.368 0.608 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@@H]21 ZINC000582183636 390267061 /nfs/dbraw/zinc/26/70/61/390267061.db2.gz USMRUBLPVGFRQA-BZPMIXESSA-N 2 2 274.368 0.608 20 0 CCADLP CCC[N@H+](CC)C[C@@H](C)NC[C@H](O)C[NH+]1CCOCC1 ZINC000644651726 390277093 /nfs/dbraw/zinc/27/70/93/390277093.db2.gz STGOSSWKLJQEHU-CABCVRRESA-N 2 2 287.448 0.390 20 0 CCADLP CCC[N@@H+](CC)C[C@@H](C)NC[C@H](O)C[NH+]1CCOCC1 ZINC000644651726 390277096 /nfs/dbraw/zinc/27/70/96/390277096.db2.gz STGOSSWKLJQEHU-CABCVRRESA-N 2 2 287.448 0.390 20 0 CCADLP COC[C@@H]1CC[N@@H+]1CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000495979694 390277432 /nfs/dbraw/zinc/27/74/32/390277432.db2.gz HHILZQVRHMIPRX-ZFWWWQNUSA-N 2 2 295.383 0.581 20 0 CCADLP COC[C@@H]1CC[N@H+]1CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000495979694 390277435 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ZINC000496242282 390325119 /nfs/dbraw/zinc/32/51/19/390325119.db2.gz DIORCQUKRBEWTE-GFCCVEGCSA-N 2 2 285.388 0.262 20 0 CCADLP CCOC[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000584002266 390333368 /nfs/dbraw/zinc/33/33/68/390333368.db2.gz RIPBWQJNUTXRQT-ZIAGYGMSSA-N 2 2 274.405 0.284 20 0 CCADLP CCOC[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000584002266 390333370 /nfs/dbraw/zinc/33/33/70/390333370.db2.gz RIPBWQJNUTXRQT-ZIAGYGMSSA-N 2 2 274.405 0.284 20 0 CCADLP CCOC[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000584002266 390333374 /nfs/dbraw/zinc/33/33/74/390333374.db2.gz RIPBWQJNUTXRQT-ZIAGYGMSSA-N 2 2 274.405 0.284 20 0 CCADLP CCOC[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000584002266 390333378 /nfs/dbraw/zinc/33/33/78/390333378.db2.gz RIPBWQJNUTXRQT-ZIAGYGMSSA-N 2 2 274.405 0.284 20 0 CCADLP C[N@@H+]1CC[C@@](O)(CNC(=O)NCCCCn2cc[nH+]c2)C1 ZINC000545884883 390333739 /nfs/dbraw/zinc/33/37/39/390333739.db2.gz NJUNBVAFZTVQNZ-CQSZACIVSA-N 2 2 295.387 0.029 20 0 CCADLP C[N@H+]1CC[C@@](O)(CNC(=O)NCCCCn2cc[nH+]c2)C1 ZINC000545884883 390333741 /nfs/dbraw/zinc/33/37/41/390333741.db2.gz NJUNBVAFZTVQNZ-CQSZACIVSA-N 2 2 295.387 0.029 20 0 CCADLP C[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)C[NH+]1CCOCC1 ZINC000584004707 390334258 /nfs/dbraw/zinc/33/42/58/390334258.db2.gz SEHHHSOTYVUEIJ-RDBSUJKOSA-N 3 2 255.406 0.814 20 0 CCADLP C[C@H](C[C@@H]1CCCO1)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000584399779 390339389 /nfs/dbraw/zinc/33/93/89/390339389.db2.gz SJHPBASESAEBQZ-AGIUHOORSA-N 2 2 284.404 0.228 20 0 CCADLP C[C@H](C[C@@H]1CCCO1)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000584399779 390339392 /nfs/dbraw/zinc/33/93/92/390339392.db2.gz SJHPBASESAEBQZ-AGIUHOORSA-N 2 2 284.404 0.228 20 0 CCADLP CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]CCn1cc[nH+]c1 ZINC000496360298 390347690 /nfs/dbraw/zinc/34/76/90/390347690.db2.gz BIQPHCYFURPXRK-CQSZACIVSA-N 2 2 298.387 0.748 20 0 CCADLP C[C@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC(=O)N1 ZINC000648751344 390400761 /nfs/dbraw/zinc/40/07/61/390400761.db2.gz OXYMCIZRKZLNHM-ZDUSSCGKSA-N 2 2 291.395 0.947 20 0 CCADLP C[C@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC(=O)N1 ZINC000648751344 390400764 /nfs/dbraw/zinc/40/07/64/390400764.db2.gz OXYMCIZRKZLNHM-ZDUSSCGKSA-N 2 2 291.395 0.947 20 0 CCADLP COC(=O)N1CC([NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])C1 ZINC000497039194 390407249 /nfs/dbraw/zinc/40/72/49/390407249.db2.gz VEUWOBYZDOMKJE-FZMZJTMJSA-N 2 2 277.368 0.985 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cn1cc[nH+]c1 ZINC000648792721 390410650 /nfs/dbraw/zinc/41/06/50/390410650.db2.gz UYWLQLGBJZVNCA-JHJVBQTASA-N 2 2 264.373 0.976 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cn1cc[nH+]c1 ZINC000648792721 390410654 /nfs/dbraw/zinc/41/06/54/390410654.db2.gz UYWLQLGBJZVNCA-JHJVBQTASA-N 2 2 264.373 0.976 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC2([NH+]3CCOCC3)CC2)CC[N@@H+]1C ZINC000648881230 390433046 /nfs/dbraw/zinc/43/30/46/390433046.db2.gz RCVMNQDTIBSOFY-CHWSQXEVSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC2([NH+]3CCOCC3)CC2)CC[N@H+]1C ZINC000648881230 390433048 /nfs/dbraw/zinc/43/30/48/390433048.db2.gz RCVMNQDTIBSOFY-CHWSQXEVSA-N 2 2 281.400 0.308 20 0 CCADLP CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CCC[N@H+](C)C1 ZINC000547605778 390385934 /nfs/dbraw/zinc/38/59/34/390385934.db2.gz UQMYBACSVPFSKZ-LLVKDONJSA-N 2 2 250.346 0.515 20 0 CCADLP CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CCC[N@@H+](C)C1 ZINC000547605778 390385937 /nfs/dbraw/zinc/38/59/37/390385937.db2.gz UQMYBACSVPFSKZ-LLVKDONJSA-N 2 2 250.346 0.515 20 0 CCADLP Nc1nc(N2CCN(c3[nH]cc[nH+]3)CC2)c2c([nH+]1)CCCC2 ZINC000645225406 390392200 /nfs/dbraw/zinc/39/22/00/390392200.db2.gz FWXVTQQUOVMSJA-UHFFFAOYSA-N 2 2 299.382 0.818 20 0 CCADLP C[NH+]1CCC2(CC1)CN(C(=O)Cn1cc[nH+]c1)CCO2 ZINC000649132263 390496313 /nfs/dbraw/zinc/49/63/13/390496313.db2.gz SBCCAXVTCJMXNL-UHFFFAOYSA-N 2 2 278.356 0.206 20 0 CCADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000643472146 390451523 /nfs/dbraw/zinc/45/15/23/390451523.db2.gz ZTVUOKJYLFHUPJ-ZNMIVQPWSA-N 3 2 269.433 0.811 20 0 CCADLP C[C@@H]([NH2+]CCc1nnnn1-c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000643488122 390454163 /nfs/dbraw/zinc/45/41/63/390454163.db2.gz BHKOWRBSQNDMRR-TZMCWYRMSA-N 2 2 286.383 0.935 20 0 CCADLP CO[C@H]1C[C@@H](CN(C)CC[N@@H+]2CCO[C@H](C)C2)[NH+](C)C1 ZINC000497497599 390457058 /nfs/dbraw/zinc/45/70/58/390457058.db2.gz AFOUXGQJJKIIPJ-ILXRZTDVSA-N 2 2 285.432 0.358 20 0 CCADLP CO[C@H]1C[C@@H](CN(C)CC[N@H+]2CCO[C@H](C)C2)[NH+](C)C1 ZINC000497497599 390457061 /nfs/dbraw/zinc/45/70/61/390457061.db2.gz AFOUXGQJJKIIPJ-ILXRZTDVSA-N 2 2 285.432 0.358 20 0 CCADLP CO[C@H]1C[C@@H](CN(C)CC[NH+]2CCO[C@H](C)C2)[N@H+](C)C1 ZINC000497497599 390457064 /nfs/dbraw/zinc/45/70/64/390457064.db2.gz AFOUXGQJJKIIPJ-ILXRZTDVSA-N 2 2 285.432 0.358 20 0 CCADLP CO[C@H]1C[C@@H](CN(C)CC[NH+]2CCO[C@H](C)C2)[N@@H+](C)C1 ZINC000497497599 390457067 /nfs/dbraw/zinc/45/70/67/390457067.db2.gz AFOUXGQJJKIIPJ-ILXRZTDVSA-N 2 2 285.432 0.358 20 0 CCADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C[C@H](C)[NH3+] ZINC000643526936 390460678 /nfs/dbraw/zinc/46/06/78/390460678.db2.gz HREXGQAPRYKRAT-QWRGUYRKSA-N 2 2 285.413 0.949 20 0 CCADLP [NH3+][C@H](C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CCC1 ZINC000643595223 390464881 /nfs/dbraw/zinc/46/48/81/390464881.db2.gz AOXUQGTVUMBYQA-OCCSQVGLSA-N 2 2 274.368 0.904 20 0 CCADLP CS(=O)(=O)C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000556193956 390476131 /nfs/dbraw/zinc/47/61/31/390476131.db2.gz XXAOGMUEWAMMSQ-GXFFZTMASA-N 2 2 283.397 0.680 20 0 CCADLP CS(=O)(=O)C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000556193956 390476132 /nfs/dbraw/zinc/47/61/32/390476132.db2.gz XXAOGMUEWAMMSQ-GXFFZTMASA-N 2 2 283.397 0.680 20 0 CCADLP COCC[N@@H+]1CCCN(C(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000516581267 390483364 /nfs/dbraw/zinc/48/33/64/390483364.db2.gz DYXZXHIDDYRCQY-UHFFFAOYSA-N 2 2 283.416 0.509 20 0 CCADLP COCC[N@H+]1CCCN(C(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000516581267 390483367 /nfs/dbraw/zinc/48/33/67/390483367.db2.gz DYXZXHIDDYRCQY-UHFFFAOYSA-N 2 2 283.416 0.509 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCc2ccco2)C[C@H](C)O1 ZINC000566107099 390579071 /nfs/dbraw/zinc/57/90/71/390579071.db2.gz FGDADMUXENWAFC-MJBXVCDLSA-N 2 2 282.384 0.882 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCc2ccco2)C[C@H](C)O1 ZINC000566107099 390579073 /nfs/dbraw/zinc/57/90/73/390579073.db2.gz FGDADMUXENWAFC-MJBXVCDLSA-N 2 2 282.384 0.882 20 0 CCADLP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC[C@@H](O)C[NH+]1CCOCC1 ZINC000520568965 390580613 /nfs/dbraw/zinc/58/06/13/390580613.db2.gz OANQLTLGXVKJLG-CABCVRRESA-N 2 2 299.459 0.390 20 0 CCADLP C[N@H+]1CCCC(C)(C)[C@@H]1CNC[C@@H](O)C[NH+]1CCOCC1 ZINC000520568965 390580615 /nfs/dbraw/zinc/58/06/15/390580615.db2.gz OANQLTLGXVKJLG-CABCVRRESA-N 2 2 299.459 0.390 20 0 CCADLP CC[C@H](C[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)OC ZINC000566129515 390583086 /nfs/dbraw/zinc/58/30/86/390583086.db2.gz HCYILFMFZYLKRA-YIYPIFLZSA-N 2 2 274.405 0.471 20 0 CCADLP O=C(NCc1c[nH+]c[nH]1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000646046135 390583959 /nfs/dbraw/zinc/58/39/59/390583959.db2.gz VVDJWLMDLVHGKW-LBPRGKRZSA-N 2 2 274.328 0.461 20 0 CCADLP O=C(NCc1c[nH]c[nH+]1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000646046135 390583960 /nfs/dbraw/zinc/58/39/60/390583960.db2.gz VVDJWLMDLVHGKW-LBPRGKRZSA-N 2 2 274.328 0.461 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H]1C[N@H+](C)CCO1 ZINC000649214243 390525796 /nfs/dbraw/zinc/52/57/96/390525796.db2.gz RCSGEEBIZCBJRA-SGMGOOAPSA-N 2 2 292.383 0.281 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H]1C[N@@H+](C)CCO1 ZINC000649214243 390525800 /nfs/dbraw/zinc/52/58/00/390525800.db2.gz RCSGEEBIZCBJRA-SGMGOOAPSA-N 2 2 292.383 0.281 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)CC1([NH3+])CCC1 ZINC000645926710 390532429 /nfs/dbraw/zinc/53/24/29/390532429.db2.gz PFSZPYMUYFNOCE-UHFFFAOYSA-N 2 2 269.389 0.485 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)CC1([NH3+])CCC1 ZINC000645926710 390532432 /nfs/dbraw/zinc/53/24/32/390532432.db2.gz PFSZPYMUYFNOCE-UHFFFAOYSA-N 2 2 269.389 0.485 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000645936166 390534366 /nfs/dbraw/zinc/53/43/66/390534366.db2.gz HQOZJXDQCVNRLG-LBPRGKRZSA-N 2 2 270.327 0.988 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000645936166 390534370 /nfs/dbraw/zinc/53/43/70/390534370.db2.gz HQOZJXDQCVNRLG-LBPRGKRZSA-N 2 2 270.327 0.988 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000649278801 390545436 /nfs/dbraw/zinc/54/54/36/390545436.db2.gz CQDRLYYPHWDKCL-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C(F)(F)F ZINC000565880642 390555044 /nfs/dbraw/zinc/55/50/44/390555044.db2.gz PWTKMDQHXKEENS-IUCAKERBSA-N 2 2 282.310 0.612 20 0 CCADLP CC[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C(F)(F)F ZINC000565880642 390555047 /nfs/dbraw/zinc/55/50/47/390555047.db2.gz PWTKMDQHXKEENS-IUCAKERBSA-N 2 2 282.310 0.612 20 0 CCADLP CC(C)[NH2+]CCC(=O)NCCNc1cccc[nH+]1 ZINC000566172055 390591115 /nfs/dbraw/zinc/59/11/15/390591115.db2.gz ZSTHCDPYAGGPBA-UHFFFAOYSA-N 2 2 250.346 0.998 20 0 CCADLP CC1(OCC(=O)N2CCC(n3cc[nH+]c3)CC2)C[NH2+]C1 ZINC000649312041 390570430 /nfs/dbraw/zinc/57/04/30/390570430.db2.gz HDFDHDUDRZHGDA-UHFFFAOYSA-N 2 2 278.356 0.425 20 0 CCADLP CCC[C@@]1(CO)CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000520425111 390574152 /nfs/dbraw/zinc/57/41/52/390574152.db2.gz KWISZSJJBRNOKX-LSDHHAIUSA-N 2 2 288.432 0.410 20 0 CCADLP CCC[C@@]1(CO)CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000520425111 390574155 /nfs/dbraw/zinc/57/41/55/390574155.db2.gz KWISZSJJBRNOKX-LSDHHAIUSA-N 2 2 288.432 0.410 20 0 CCADLP CCC[C@@]1(CO)CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000520425111 390574158 /nfs/dbraw/zinc/57/41/58/390574158.db2.gz KWISZSJJBRNOKX-LSDHHAIUSA-N 2 2 288.432 0.410 20 0 CCADLP CCC[C@@]1(CO)CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000520425111 390574163 /nfs/dbraw/zinc/57/41/63/390574163.db2.gz KWISZSJJBRNOKX-LSDHHAIUSA-N 2 2 288.432 0.410 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000522138393 390625758 /nfs/dbraw/zinc/62/57/58/390625758.db2.gz BCYQVHGZCRCBMH-RWMBFGLXSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000522138393 390625760 /nfs/dbraw/zinc/62/57/60/390625760.db2.gz BCYQVHGZCRCBMH-RWMBFGLXSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000646215807 390637345 /nfs/dbraw/zinc/63/73/45/390637345.db2.gz FEMHMBWMTULFMD-XQHKEYJVSA-N 2 2 284.404 0.275 20 0 CCADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000646215807 390637348 /nfs/dbraw/zinc/63/73/48/390637348.db2.gz FEMHMBWMTULFMD-XQHKEYJVSA-N 2 2 284.404 0.275 20 0 CCADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]CCC(=O)NC(N)=O)CCC2 ZINC000566673334 390637465 /nfs/dbraw/zinc/63/74/65/390637465.db2.gz IPIDSSPFLHYNPV-SNVBAGLBSA-N 2 2 279.344 0.244 20 0 CCADLP C[N@H+](CCNC(=O)c1ccc(-n2cc[nH+]c2)nn1)C1CC1 ZINC000523783965 390642877 /nfs/dbraw/zinc/64/28/77/390642877.db2.gz XBNAOINPPCYMRF-UHFFFAOYSA-N 2 2 286.339 0.486 20 0 CCADLP C[N@@H+](CCNC(=O)c1ccc(-n2cc[nH+]c2)nn1)C1CC1 ZINC000523783965 390642881 /nfs/dbraw/zinc/64/28/81/390642881.db2.gz XBNAOINPPCYMRF-UHFFFAOYSA-N 2 2 286.339 0.486 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC2CCC(F)CC2)[C@@H](C[NH3+])C1 ZINC000646232869 390644560 /nfs/dbraw/zinc/64/45/60/390644560.db2.gz JFBFRHKJQLOCDP-BPCQOVAHSA-N 2 2 286.395 0.799 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC2CCC(F)CC2)[C@@H](C[NH3+])C1 ZINC000646232869 390644565 /nfs/dbraw/zinc/64/45/65/390644565.db2.gz JFBFRHKJQLOCDP-BPCQOVAHSA-N 2 2 286.395 0.799 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000566827898 390651900 /nfs/dbraw/zinc/65/19/00/390651900.db2.gz DWFPWVBYRONDAU-SNVBAGLBSA-N 2 2 263.345 0.456 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000566827898 390651904 /nfs/dbraw/zinc/65/19/04/390651904.db2.gz DWFPWVBYRONDAU-SNVBAGLBSA-N 2 2 263.345 0.456 20 0 CCADLP [NH3+]C1(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCC1 ZINC000646265456 390653733 /nfs/dbraw/zinc/65/37/33/390653733.db2.gz ZJPOOYZDOTXAQP-NSHDSACASA-N 2 2 260.341 0.658 20 0 CCADLP CC[N@@H+]1C[C@H](C)N(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000566874340 390656241 /nfs/dbraw/zinc/65/62/41/390656241.db2.gz PEGBCBFZLAZHSI-NEPJUHHUSA-N 2 2 264.373 0.904 20 0 CCADLP CC[N@H+]1C[C@H](C)N(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000566874340 390656246 /nfs/dbraw/zinc/65/62/46/390656246.db2.gz PEGBCBFZLAZHSI-NEPJUHHUSA-N 2 2 264.373 0.904 20 0 CCADLP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC(=O)N3CC[NH+](C)CC3)C[C@H]2C1 ZINC000643882718 390594386 /nfs/dbraw/zinc/59/43/86/390594386.db2.gz IFJDDAKNOQMOFR-NMWPEEMBSA-N 2 2 295.427 0.554 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCc2ccccc2[C@@H]1CO ZINC000567565622 390703960 /nfs/dbraw/zinc/70/39/60/390703960.db2.gz NVJPCIMPGXTMIF-ZBFHGGJFSA-N 2 2 278.396 0.891 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCc2ccccc2[C@@H]1CO ZINC000567565622 390703961 /nfs/dbraw/zinc/70/39/61/390703961.db2.gz NVJPCIMPGXTMIF-ZBFHGGJFSA-N 2 2 278.396 0.891 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000567565622 390703962 /nfs/dbraw/zinc/70/39/62/390703962.db2.gz NVJPCIMPGXTMIF-ZBFHGGJFSA-N 2 2 278.396 0.891 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCc2ccccc2[C@@H]1CO ZINC000567565622 390703963 /nfs/dbraw/zinc/70/39/63/390703963.db2.gz NVJPCIMPGXTMIF-ZBFHGGJFSA-N 2 2 278.396 0.891 20 0 CCADLP COC(=O)C(C)(C)CCN1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000567613299 390706935 /nfs/dbraw/zinc/70/69/35/390706935.db2.gz XFAVIXBVLDKRSO-NSHDSACASA-N 2 2 257.378 0.150 20 0 CCADLP COC(=O)C(C)(C)CCN1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000567613299 390706936 /nfs/dbraw/zinc/70/69/36/390706936.db2.gz XFAVIXBVLDKRSO-NSHDSACASA-N 2 2 257.378 0.150 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000646730038 390713314 /nfs/dbraw/zinc/71/33/14/390713314.db2.gz AEAGSQQZMCMMOZ-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000646730038 390713316 /nfs/dbraw/zinc/71/33/16/390713316.db2.gz AEAGSQQZMCMMOZ-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP COc1ccc[nH+]c1N1CCC([N@H+](C)CCO)CC1 ZINC000527887151 390724566 /nfs/dbraw/zinc/72/45/66/390724566.db2.gz XKVSCUACTAXTMT-UHFFFAOYSA-N 2 2 265.357 0.983 20 0 CCADLP COc1ccc[nH+]c1N1CCC([N@@H+](C)CCO)CC1 ZINC000527887151 390724569 /nfs/dbraw/zinc/72/45/69/390724569.db2.gz XKVSCUACTAXTMT-UHFFFAOYSA-N 2 2 265.357 0.983 20 0 CCADLP CC(C)COCCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000646836287 390726658 /nfs/dbraw/zinc/72/66/58/390726658.db2.gz GGCBUNHHQWKYSG-LBPRGKRZSA-N 2 2 257.378 0.150 20 0 CCADLP CC(C)COCCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000646836287 390726660 /nfs/dbraw/zinc/72/66/60/390726660.db2.gz GGCBUNHHQWKYSG-LBPRGKRZSA-N 2 2 257.378 0.150 20 0 CCADLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)CC[NH2+]1 ZINC000646321780 390665574 /nfs/dbraw/zinc/66/55/74/390665574.db2.gz JMGDNBCTARPVSY-SNVBAGLBSA-N 2 2 272.312 0.096 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000567011663 390666001 /nfs/dbraw/zinc/66/60/01/390666001.db2.gz OVAYBQBNNYYGTI-ZDUSSCGKSA-N 3 2 266.389 0.902 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000567011663 390666005 /nfs/dbraw/zinc/66/60/05/390666005.db2.gz OVAYBQBNNYYGTI-ZDUSSCGKSA-N 3 2 266.389 0.902 20 0 CCADLP CC[N@H+](C)C[C@H](O)CN1CCC(c2[nH]cc[nH+]2)CC1 ZINC000567011663 390666006 /nfs/dbraw/zinc/66/60/06/390666006.db2.gz OVAYBQBNNYYGTI-ZDUSSCGKSA-N 2 2 266.389 0.902 20 0 CCADLP CC[N@@H+](C)C[C@H](O)CN1CCC(c2[nH]cc[nH+]2)CC1 ZINC000567011663 390666010 /nfs/dbraw/zinc/66/60/10/390666010.db2.gz OVAYBQBNNYYGTI-ZDUSSCGKSA-N 2 2 266.389 0.902 20 0 CCADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646336123 390666855 /nfs/dbraw/zinc/66/68/55/390666855.db2.gz IYCGAZKXTPQYJA-KXUCPTDWSA-N 2 2 259.300 0.194 20 0 CCADLP COC[C@H](C)C[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000525863520 390666965 /nfs/dbraw/zinc/66/69/65/390666965.db2.gz NXIGVVVZUITBCS-OLZOCXBDSA-N 2 2 294.399 0.783 20 0 CCADLP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000646368461 390673803 /nfs/dbraw/zinc/67/38/03/390673803.db2.gz GESBHNCPLAQNHL-OLZOCXBDSA-N 2 2 297.362 0.949 20 0 CCADLP C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)CCc1c[nH+]cn1C ZINC000646472080 390687374 /nfs/dbraw/zinc/68/73/74/390687374.db2.gz ARSLTUJHMWCXKA-WCQYABFASA-N 2 2 264.373 0.904 20 0 CCADLP O=C(NCC[N@@H+]1CCCOCC1)[C@H]1CC[NH2+]CC1(F)F ZINC000646503274 390688890 /nfs/dbraw/zinc/68/88/90/390688890.db2.gz ADMLPVPPVMNYTO-LLVKDONJSA-N 2 2 291.342 0.070 20 0 CCADLP O=C(NCC[N@H+]1CCCOCC1)[C@H]1CC[NH2+]CC1(F)F ZINC000646503274 390688891 /nfs/dbraw/zinc/68/88/91/390688891.db2.gz ADMLPVPPVMNYTO-LLVKDONJSA-N 2 2 291.342 0.070 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC000567386948 390697036 /nfs/dbraw/zinc/69/70/36/390697036.db2.gz SIJFCVVKGZVQNT-JHJVBQTASA-N 2 2 283.416 0.742 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCOC[C@@]12CCOC2 ZINC000567402326 390697463 /nfs/dbraw/zinc/69/74/63/390697463.db2.gz QHUUTYFPJRSUTD-AWEZNQCLSA-N 2 2 265.357 0.844 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCOC[C@@]12CCOC2 ZINC000567402326 390697466 /nfs/dbraw/zinc/69/74/66/390697466.db2.gz QHUUTYFPJRSUTD-AWEZNQCLSA-N 2 2 265.357 0.844 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCOC[C@]12CCOC2 ZINC000567402328 390697518 /nfs/dbraw/zinc/69/75/18/390697518.db2.gz QHUUTYFPJRSUTD-CQSZACIVSA-N 2 2 265.357 0.844 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCOC[C@]12CCOC2 ZINC000567402328 390697520 /nfs/dbraw/zinc/69/75/20/390697520.db2.gz QHUUTYFPJRSUTD-CQSZACIVSA-N 2 2 265.357 0.844 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000567485381 390700540 /nfs/dbraw/zinc/70/05/40/390700540.db2.gz DPRHNVLVLIPKPF-AVGNSLFASA-N 2 2 294.399 0.502 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000567485381 390700542 /nfs/dbraw/zinc/70/05/42/390700542.db2.gz DPRHNVLVLIPKPF-AVGNSLFASA-N 2 2 294.399 0.502 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000567485381 390700543 /nfs/dbraw/zinc/70/05/43/390700543.db2.gz DPRHNVLVLIPKPF-AVGNSLFASA-N 2 2 294.399 0.502 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000567485381 390700545 /nfs/dbraw/zinc/70/05/45/390700545.db2.gz DPRHNVLVLIPKPF-AVGNSLFASA-N 2 2 294.399 0.502 20 0 CCADLP O=C(NCCn1cc[nH+]c1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000571797341 390754067 /nfs/dbraw/zinc/75/40/67/390754067.db2.gz UJNLDWCQAUIHOT-ZDUSSCGKSA-N 2 2 288.355 0.434 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000571895685 390758626 /nfs/dbraw/zinc/75/86/26/390758626.db2.gz KEWZBTLDSXROAT-CYBMUJFWSA-N 2 2 298.431 0.396 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000571895685 390758627 /nfs/dbraw/zinc/75/86/27/390758627.db2.gz KEWZBTLDSXROAT-CYBMUJFWSA-N 2 2 298.431 0.396 20 0 CCADLP C[C@H]([NH3+])CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000647021416 390759103 /nfs/dbraw/zinc/75/91/03/390759103.db2.gz OSPRXRRTIXOYIZ-JQWIXIFHSA-N 2 2 255.362 0.093 20 0 CCADLP C[C@H]([NH3+])CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000647021416 390759105 /nfs/dbraw/zinc/75/91/05/390759105.db2.gz OSPRXRRTIXOYIZ-JQWIXIFHSA-N 2 2 255.362 0.093 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000529314372 390805558 /nfs/dbraw/zinc/80/55/58/390805558.db2.gz JBKDJCWRMXYSAJ-LBPRGKRZSA-N 2 2 295.387 0.327 20 0 CCADLP CC(C)([NH3+])c1nocc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000572496339 390786198 /nfs/dbraw/zinc/78/61/98/390786198.db2.gz JHYNTNGPQFQUOI-UHFFFAOYSA-N 2 2 278.356 0.789 20 0 CCADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000572599649 390790972 /nfs/dbraw/zinc/79/09/72/390790972.db2.gz HTHFQNCNTXWLQN-VXGBXAGGSA-N 2 2 286.420 0.522 20 0 CCADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000572599649 390790974 /nfs/dbraw/zinc/79/09/74/390790974.db2.gz HTHFQNCNTXWLQN-VXGBXAGGSA-N 2 2 286.420 0.522 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000529206646 390798142 /nfs/dbraw/zinc/79/81/42/390798142.db2.gz DQQUSVJEZXXOJP-ZDUSSCGKSA-N 2 2 280.372 0.371 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@]2(CNC(=O)C2)C1)C1CC1 ZINC000571569766 390742161 /nfs/dbraw/zinc/74/21/61/390742161.db2.gz ISVBFJNCUGWDMN-HIFRSBDPSA-N 2 2 281.400 0.044 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@]2(CNC(=O)C2)C1)C1CC1 ZINC000571569766 390742163 /nfs/dbraw/zinc/74/21/63/390742163.db2.gz ISVBFJNCUGWDMN-HIFRSBDPSA-N 2 2 281.400 0.044 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@]2(CNC(=O)C2)C1)C1CC1 ZINC000571569766 390742164 /nfs/dbraw/zinc/74/21/64/390742164.db2.gz ISVBFJNCUGWDMN-HIFRSBDPSA-N 2 2 281.400 0.044 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@]2(CNC(=O)C2)C1)C1CC1 ZINC000571569766 390742166 /nfs/dbraw/zinc/74/21/66/390742166.db2.gz ISVBFJNCUGWDMN-HIFRSBDPSA-N 2 2 281.400 0.044 20 0 CCADLP C[C@H](C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21)[NH+]1CCSCC1 ZINC000646930831 390744033 /nfs/dbraw/zinc/74/40/33/390744033.db2.gz ORRZWUFGUOTZMW-UPJWGTAASA-N 2 2 283.441 0.586 20 0 CCADLP C[C@H](C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21)[NH+]1CCSCC1 ZINC000646930831 390744036 /nfs/dbraw/zinc/74/40/36/390744036.db2.gz ORRZWUFGUOTZMW-UPJWGTAASA-N 2 2 283.441 0.586 20 0 CCADLP OC[C@H]1CC[C@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000571669285 390747866 /nfs/dbraw/zinc/74/78/66/390747866.db2.gz DGYGNXDEUSBGLY-CYUUQNCZSA-N 2 2 268.401 0.894 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+]CC[N@H+]2CC=C(C)CC2)no1 ZINC000577948592 390854628 /nfs/dbraw/zinc/85/46/28/390854628.db2.gz OKEATGAGQMYQCC-UHFFFAOYSA-N 2 2 292.383 0.975 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+]CC[N@@H+]2CC=C(C)CC2)no1 ZINC000577948592 390854630 /nfs/dbraw/zinc/85/46/30/390854630.db2.gz OKEATGAGQMYQCC-UHFFFAOYSA-N 2 2 292.383 0.975 20 0 CCADLP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@H]1COCC[NH2+]1)C1CC1 ZINC000529330714 390810221 /nfs/dbraw/zinc/81/02/21/390810221.db2.gz OPMOAGLFVWOFAJ-NWDGAFQWSA-N 2 2 293.371 0.159 20 0 CCADLP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@@H]1COCC[NH2+]1)C1CC1 ZINC000529330717 390810400 /nfs/dbraw/zinc/81/04/00/390810400.db2.gz OPMOAGLFVWOFAJ-VXGBXAGGSA-N 2 2 293.371 0.159 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC2CC=CC2)[C@H](C[NH3+])C1 ZINC000529351865 390816973 /nfs/dbraw/zinc/81/69/73/390816973.db2.gz YWRJKIUYSNLNRC-GFCCVEGCSA-N 2 2 252.362 0.237 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC2CC=CC2)[C@H](C[NH3+])C1 ZINC000529351865 390816975 /nfs/dbraw/zinc/81/69/75/390816975.db2.gz YWRJKIUYSNLNRC-GFCCVEGCSA-N 2 2 252.362 0.237 20 0 CCADLP C[C@H](CC(=O)NCCCN1CC[NH2+]CC1)n1cc[nH+]c1 ZINC000573692502 390821352 /nfs/dbraw/zinc/82/13/52/390821352.db2.gz CFYUBOUYVTVKPX-CYBMUJFWSA-N 2 2 279.388 0.246 20 0 CCADLP C[NH+](C)[C@@]1(CNC(=O)Cn2cc[nH+]c2)CCSC1 ZINC000574909684 390823424 /nfs/dbraw/zinc/82/34/24/390823424.db2.gz MBHFXEXPBUCCLA-GFCCVEGCSA-N 2 2 268.386 0.437 20 0 CCADLP C[C@@H](CC(=O)NCC[N@@H+]1CCO[C@H](C)C1)n1cc[nH+]c1 ZINC000574920305 390825252 /nfs/dbraw/zinc/82/52/52/390825252.db2.gz FZUSBOFTCAGKFU-QWHCGFSZSA-N 2 2 280.372 0.671 20 0 CCADLP C[C@@H](CC(=O)NCC[N@H+]1CCO[C@H](C)C1)n1cc[nH+]c1 ZINC000574920305 390825254 /nfs/dbraw/zinc/82/52/54/390825254.db2.gz FZUSBOFTCAGKFU-QWHCGFSZSA-N 2 2 280.372 0.671 20 0 CCADLP C[C@H]([NH3+])[C@H]1CN(Cc2[nH+]ccn2CC(F)(F)F)CCO1 ZINC000647507542 390826353 /nfs/dbraw/zinc/82/63/53/390826353.db2.gz RKGOVEWRLNHWQP-VHSXEESVSA-N 2 2 292.305 0.993 20 0 CCADLP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000647518142 390829439 /nfs/dbraw/zinc/82/94/39/390829439.db2.gz HSBONHPCZSNIII-MGPQQGTHSA-N 2 2 254.374 0.866 20 0 CCADLP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000647518142 390829440 /nfs/dbraw/zinc/82/94/40/390829440.db2.gz HSBONHPCZSNIII-MGPQQGTHSA-N 2 2 254.374 0.866 20 0 CCADLP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000647518141 390829468 /nfs/dbraw/zinc/82/94/68/390829468.db2.gz HSBONHPCZSNIII-MCIONIFRSA-N 2 2 254.374 0.866 20 0 CCADLP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000647518141 390829469 /nfs/dbraw/zinc/82/94/69/390829469.db2.gz HSBONHPCZSNIII-MCIONIFRSA-N 2 2 254.374 0.866 20 0 CCADLP COC[C@@H](CO)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000647526927 390833023 /nfs/dbraw/zinc/83/30/23/390833023.db2.gz VAITVEBMFTXIJE-CABCVRRESA-N 2 2 282.384 0.076 20 0 CCADLP COC[C@@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000647526927 390833028 /nfs/dbraw/zinc/83/30/28/390833028.db2.gz VAITVEBMFTXIJE-CABCVRRESA-N 2 2 282.384 0.076 20 0 CCADLP COC(=O)COC[C@@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000575130437 390833121 /nfs/dbraw/zinc/83/31/21/390833121.db2.gz CNWVFBXOYNRTKR-VXGBXAGGSA-N 2 2 258.362 0.496 20 0 CCADLP COC(=O)COC[C@@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000575130437 390833125 /nfs/dbraw/zinc/83/31/25/390833125.db2.gz CNWVFBXOYNRTKR-VXGBXAGGSA-N 2 2 258.362 0.496 20 0 CCADLP NC(=O)CC[NH2+]C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000647532357 390835280 /nfs/dbraw/zinc/83/52/80/390835280.db2.gz VLLPEZCSBNZNTC-KGLIPLIRSA-N 2 2 277.368 0.087 20 0 CCADLP NC(=O)CC[NH2+]C[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000647532357 390835282 /nfs/dbraw/zinc/83/52/82/390835282.db2.gz VLLPEZCSBNZNTC-KGLIPLIRSA-N 2 2 277.368 0.087 20 0 CCADLP OCCOCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534128836 390888961 /nfs/dbraw/zinc/88/89/61/390888961.db2.gz RYAGJVSALDAYIX-UHFFFAOYSA-N 2 2 265.357 0.967 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(Cc2csc(C)n2)CC1 ZINC000578659293 390897085 /nfs/dbraw/zinc/89/70/85/390897085.db2.gz LVAKRWJDWKUSTE-CQSZACIVSA-N 2 2 298.456 0.540 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1nnnn1-c1ccccc1 ZINC000578789299 390903119 /nfs/dbraw/zinc/90/31/19/390903119.db2.gz KRJNQJHRNDDNTI-OCCSQVGLSA-N 2 2 286.383 0.745 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1nnnn1-c1ccccc1 ZINC000578789299 390903122 /nfs/dbraw/zinc/90/31/22/390903122.db2.gz KRJNQJHRNDDNTI-OCCSQVGLSA-N 2 2 286.383 0.745 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CCS(=O)(=O)N(C)C)[C@@H](C)C1 ZINC000336808609 285396341 /nfs/dbraw/zinc/39/63/41/285396341.db2.gz CMNACVKMOUGXGP-STQMWFEESA-N 2 2 291.461 0.540 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CCS(=O)(=O)N(C)C)[C@@H](C)C1 ZINC000336808609 285396342 /nfs/dbraw/zinc/39/63/42/285396342.db2.gz CMNACVKMOUGXGP-STQMWFEESA-N 2 2 291.461 0.540 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CCS(=O)(=O)N(C)C)[C@@H](C)C1 ZINC000336808609 285396343 /nfs/dbraw/zinc/39/63/43/285396343.db2.gz CMNACVKMOUGXGP-STQMWFEESA-N 2 2 291.461 0.540 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CCS(=O)(=O)N(C)C)[C@@H](C)C1 ZINC000336808609 285396344 /nfs/dbraw/zinc/39/63/44/285396344.db2.gz CMNACVKMOUGXGP-STQMWFEESA-N 2 2 291.461 0.540 20 0 CCADLP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC[C@@H](O)C[NH+]1CCOCC1 ZINC000578858905 390904346 /nfs/dbraw/zinc/90/43/46/390904346.db2.gz ATZPNUMPNXFJHG-OWCLPIDISA-N 2 2 299.459 0.532 20 0 CCADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC[C@@H](O)C[NH+]1CCOCC1 ZINC000578858905 390904347 /nfs/dbraw/zinc/90/43/47/390904347.db2.gz ATZPNUMPNXFJHG-OWCLPIDISA-N 2 2 299.459 0.532 20 0 CCADLP COC(=O)CC[C@@H]([NH3+])C(=O)Nc1c[nH+]ccc1OC ZINC000342719942 533446645 /nfs/dbraw/zinc/44/66/45/533446645.db2.gz YHPUQVGDVMVQIX-MRVPVSSYSA-N 2 2 267.285 0.309 20 0 CCADLP CC[N@@H+]1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)[C@H](C)C1 ZINC000341782076 130043234 /nfs/dbraw/zinc/04/32/34/130043234.db2.gz XLEUUGKMWIHIDL-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP CC[N@H+]1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)[C@H](C)C1 ZINC000341782076 130043237 /nfs/dbraw/zinc/04/32/37/130043237.db2.gz XLEUUGKMWIHIDL-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP CCCCOCCNC(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000342110317 130267052 /nfs/dbraw/zinc/26/70/52/130267052.db2.gz RWSYXLZPCIOPFC-UHFFFAOYSA-N 2 2 257.378 0.390 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NCC[NH+]2CCOCC2)CCC[N@@H+]1C ZINC000342209792 130385179 /nfs/dbraw/zinc/38/51/79/130385179.db2.gz WTEPKPVBIRGRRL-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NCC[NH+]2CCOCC2)CCC[N@H+]1C ZINC000342209792 130385180 /nfs/dbraw/zinc/38/51/80/130385180.db2.gz WTEPKPVBIRGRRL-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H](CNC(=O)C[NH2+]C[C@@H]1CCCO1)Cn1cc[nH+]c1 ZINC000237546363 131040724 /nfs/dbraw/zinc/04/07/24/131040724.db2.gz KBLUTPJKDFWVNF-STQMWFEESA-N 2 2 280.372 0.404 20 0 CCADLP [NH3+]CCCC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000237903711 131064621 /nfs/dbraw/zinc/06/46/21/131064621.db2.gz PSTFRFXIOAYGAZ-UHFFFAOYSA-N 2 2 291.395 0.949 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)C[C@@H](C)O1 ZINC000251701017 131130705 /nfs/dbraw/zinc/13/07/05/131130705.db2.gz IWDDUHGWQHONSJ-LOWDOPEQSA-N 2 2 269.389 0.291 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)C[C@@H](C)O1 ZINC000251701017 131130706 /nfs/dbraw/zinc/13/07/06/131130706.db2.gz IWDDUHGWQHONSJ-LOWDOPEQSA-N 2 2 269.389 0.291 20 0 CCADLP C[NH2+]CCC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000261658647 131160240 /nfs/dbraw/zinc/16/02/40/131160240.db2.gz YZOPMHQDQSIIPU-OAHLLOKOSA-N 2 2 291.395 0.613 20 0 CCADLP C[NH2+]CCC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000261658647 131160242 /nfs/dbraw/zinc/16/02/42/131160242.db2.gz YZOPMHQDQSIIPU-OAHLLOKOSA-N 2 2 291.395 0.613 20 0 CCADLP C[NH2+]CC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000262279560 131207610 /nfs/dbraw/zinc/20/76/10/131207610.db2.gz YDHRPZHTSSYAQE-ZDUSSCGKSA-N 2 2 276.315 0.984 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000262785284 131261645 /nfs/dbraw/zinc/26/16/45/131261645.db2.gz MHTGCDGYZBDAOV-GFCCVEGCSA-N 2 2 276.340 0.357 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)NCCCCNc1cccc[nH+]1 ZINC000262829220 131264930 /nfs/dbraw/zinc/26/49/30/131264930.db2.gz ZEOZMNNOCZSAEM-GFCCVEGCSA-N 2 2 280.372 0.754 20 0 CCADLP C[NH+](C)CC(C)(C)CNC(=O)CCn1cc[nH+]c1 ZINC000263647881 131301677 /nfs/dbraw/zinc/30/16/77/131301677.db2.gz FCQVTSNFLFXVLW-UHFFFAOYSA-N 2 2 252.362 0.977 20 0 CCADLP CC[N@H+](CCNC(=O)NCc1[nH+]ccn1C)C1CC1 ZINC000264064703 131389299 /nfs/dbraw/zinc/38/92/99/131389299.db2.gz BLFPRYGDCVQTGU-UHFFFAOYSA-N 2 2 265.361 0.704 20 0 CCADLP CC[N@@H+](CCNC(=O)NCc1[nH+]ccn1C)C1CC1 ZINC000264064703 131389301 /nfs/dbraw/zinc/38/93/01/131389301.db2.gz BLFPRYGDCVQTGU-UHFFFAOYSA-N 2 2 265.361 0.704 20 0 CCADLP Cc1cc(N[C@@H](CO)C[NH+](C)C)nc(C2CC2)[nH+]1 ZINC000685262299 545806002 /nfs/dbraw/zinc/80/60/02/545806002.db2.gz YPVOLBCPTIFRSL-LLVKDONJSA-N 2 2 250.346 0.997 20 0 CCADLP CN(C)C(=O)CC[NH+]1CCN(Cc2c[nH+]cn2C)CC1 ZINC000268441971 132010040 /nfs/dbraw/zinc/01/00/40/132010040.db2.gz GZVVWITVOQFOAG-UHFFFAOYSA-N 2 2 279.388 0.016 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000269239359 132139739 /nfs/dbraw/zinc/13/97/39/132139739.db2.gz ITHUKSOGXVHHJC-MNOVXSKESA-N 2 2 250.346 0.971 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)C[C@@H]3C[NH2+]CCO3)cn21 ZINC000269264494 132145698 /nfs/dbraw/zinc/14/56/98/132145698.db2.gz ONGQEPCCJUNWCT-CYBMUJFWSA-N 2 2 288.351 0.637 20 0 CCADLP Cn1cncc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685434888 545818289 /nfs/dbraw/zinc/81/82/89/545818289.db2.gz BRKCJGTYFQPJSH-LBPRGKRZSA-N 2 2 291.399 0.318 20 0 CCADLP Cn1cncc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685434888 545818292 /nfs/dbraw/zinc/81/82/92/545818292.db2.gz BRKCJGTYFQPJSH-LBPRGKRZSA-N 2 2 291.399 0.318 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@]1(OCCO)CCOC1 ZINC000658148477 413104116 /nfs/dbraw/zinc/10/41/16/413104116.db2.gz NATBMSFAFZSRAU-BPLDGKMQSA-N 2 2 284.400 0.227 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@]1(OCCO)CCOC1 ZINC000658148477 413104121 /nfs/dbraw/zinc/10/41/21/413104121.db2.gz NATBMSFAFZSRAU-BPLDGKMQSA-N 2 2 284.400 0.227 20 0 CCADLP O=C([C@@H]1CCC[NH2+]1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000037497884 397381291 /nfs/dbraw/zinc/38/12/91/397381291.db2.gz PYUBHPVXZSEYFX-STQMWFEESA-N 2 2 267.373 0.062 20 0 CCADLP O=C(CN1CC[NH2+]CC1)Nc1ccccc1-n1cc[nH+]c1 ZINC000037631414 397382905 /nfs/dbraw/zinc/38/29/05/397382905.db2.gz CMQRPJOMEBQKAL-UHFFFAOYSA-N 2 2 285.351 0.716 20 0 CCADLP C[C@H](CNC(=O)[C@]1(C)CCCC[NH2+]1)[NH+]1CCOCC1 ZINC000237475405 143928700 /nfs/dbraw/zinc/92/87/00/143928700.db2.gz MNZADBOKULLXRU-OCCSQVGLSA-N 2 2 269.389 0.356 20 0 CCADLP C[C@@H]1[C@H](C)N(CCC[NH+]2CCOCC2)CC[N@H+]1C ZINC000357059825 144055008 /nfs/dbraw/zinc/05/50/08/144055008.db2.gz BCDUMESLZSYASG-KGLIPLIRSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@@H]1[C@H](C)N(CCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000357059825 144055009 /nfs/dbraw/zinc/05/50/09/144055009.db2.gz BCDUMESLZSYASG-KGLIPLIRSA-N 2 2 255.406 0.733 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357085151 144058422 /nfs/dbraw/zinc/05/84/22/144058422.db2.gz QLCNUGRFIGZVGZ-MELADBBJSA-N 2 2 283.416 0.459 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357085151 144058424 /nfs/dbraw/zinc/05/84/24/144058424.db2.gz QLCNUGRFIGZVGZ-MELADBBJSA-N 2 2 283.416 0.459 20 0 CCADLP C[C@@H](CNC(=O)C[C@@H]1COCC[NH2+]1)Cn1cc[nH+]c1 ZINC000357206049 144069558 /nfs/dbraw/zinc/06/95/58/144069558.db2.gz WHTNDSGTSNOFSY-NWDGAFQWSA-N 2 2 266.345 0.014 20 0 CCADLP C[C@H](C(=O)N1CCC[C@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000357535195 144098788 /nfs/dbraw/zinc/09/87/88/144098788.db2.gz YXRNJWGDVLHBFG-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(N2CCOCC2)nc1 ZINC000358134299 144156049 /nfs/dbraw/zinc/15/60/49/144156049.db2.gz AXLSFSHEWFTTTE-DZGCQCFKSA-N 2 2 290.411 0.958 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(N2CCOCC2)nc1 ZINC000358134299 144156051 /nfs/dbraw/zinc/15/60/51/144156051.db2.gz AXLSFSHEWFTTTE-DZGCQCFKSA-N 2 2 290.411 0.958 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCCO2)CC1 ZINC000358963168 144188289 /nfs/dbraw/zinc/18/82/89/144188289.db2.gz ZPKLPJQQFDBCAD-UHFFFAOYSA-N 2 2 270.377 0.359 20 0 CCADLP O=C(NCCCNc1cccc[nH+]1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000370407107 144301574 /nfs/dbraw/zinc/30/15/74/144301574.db2.gz OZZBHWFLCVSSCY-SWLSCSKDSA-N 2 2 274.368 0.999 20 0 CCADLP C[N@@H+]1CCCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000372761392 144380410 /nfs/dbraw/zinc/38/04/10/144380410.db2.gz ZAQYVJVAHMNJCK-HNNXBMFYSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@H+]1CCCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000372761392 144380411 /nfs/dbraw/zinc/38/04/11/144380411.db2.gz ZAQYVJVAHMNJCK-HNNXBMFYSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000372761392 144380413 /nfs/dbraw/zinc/38/04/13/144380413.db2.gz ZAQYVJVAHMNJCK-HNNXBMFYSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+]1CCCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000372761392 144380414 /nfs/dbraw/zinc/38/04/14/144380414.db2.gz ZAQYVJVAHMNJCK-HNNXBMFYSA-N 2 2 295.427 0.794 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@H](OC)C1 ZINC000388872853 397507398 /nfs/dbraw/zinc/50/73/98/397507398.db2.gz RMHAGKHGHRLGFI-MELADBBJSA-N 2 2 274.405 0.282 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@H](OC)C1 ZINC000388872853 397507403 /nfs/dbraw/zinc/50/74/03/397507403.db2.gz RMHAGKHGHRLGFI-MELADBBJSA-N 2 2 274.405 0.282 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000388872853 397507408 /nfs/dbraw/zinc/50/74/08/397507408.db2.gz RMHAGKHGHRLGFI-MELADBBJSA-N 2 2 274.405 0.282 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000388872853 397507412 /nfs/dbraw/zinc/50/74/12/397507412.db2.gz RMHAGKHGHRLGFI-MELADBBJSA-N 2 2 274.405 0.282 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](COC)C1 ZINC000389060417 397508650 /nfs/dbraw/zinc/50/86/50/397508650.db2.gz IVZZNRIXEVPWGV-UONOGXRCSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](COC)C1 ZINC000389060417 397508656 /nfs/dbraw/zinc/50/86/56/397508656.db2.gz IVZZNRIXEVPWGV-UONOGXRCSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](COC)C1 ZINC000389060417 397508662 /nfs/dbraw/zinc/50/86/62/397508662.db2.gz IVZZNRIXEVPWGV-UONOGXRCSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](COC)C1 ZINC000389060417 397508665 /nfs/dbraw/zinc/50/86/65/397508665.db2.gz IVZZNRIXEVPWGV-UONOGXRCSA-N 2 2 274.405 0.284 20 0 CCADLP C[N@H+](CCC[NH3+])CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000649410216 397606114 /nfs/dbraw/zinc/60/61/14/397606114.db2.gz ZZALQXDHYIGRPU-UHFFFAOYSA-N 3 2 268.405 0.010 20 0 CCADLP C[N@@H+](CCC[NH3+])CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000649410216 397606115 /nfs/dbraw/zinc/60/61/15/397606115.db2.gz ZZALQXDHYIGRPU-UHFFFAOYSA-N 3 2 268.405 0.010 20 0 CCADLP CCc1nsc(N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)n1 ZINC000649413820 397607898 /nfs/dbraw/zinc/60/78/98/397607898.db2.gz KBVKGNPAWOHXFV-LLVKDONJSA-N 2 2 281.429 0.832 20 0 CCADLP CCO[C@@H]1C[N@H+](Cc2cnc(N(C)C)nc2)C[C@H]1C[NH3+] ZINC000650715009 397747895 /nfs/dbraw/zinc/74/78/95/397747895.db2.gz LGIWYEZSRWGBCW-CHWSQXEVSA-N 2 2 279.388 0.338 20 0 CCADLP CCO[C@@H]1C[N@@H+](Cc2cnc(N(C)C)nc2)C[C@H]1C[NH3+] ZINC000650715009 397747900 /nfs/dbraw/zinc/74/79/00/397747900.db2.gz LGIWYEZSRWGBCW-CHWSQXEVSA-N 2 2 279.388 0.338 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)NCCn1cc[nH+]c1 ZINC000651100039 397826578 /nfs/dbraw/zinc/82/65/78/397826578.db2.gz ACTUFCOMBFAXPF-UHFFFAOYSA-N 2 2 273.340 0.775 20 0 CCADLP CC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccncc1 ZINC000651208618 397852532 /nfs/dbraw/zinc/85/25/32/397852532.db2.gz LHDUDLDRGMXMLB-AWEZNQCLSA-N 2 2 276.384 0.896 20 0 CCADLP CN(C)c1ncc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cn1 ZINC000547967549 285992471 /nfs/dbraw/zinc/99/24/71/285992471.db2.gz QVHYKMBDLLGRAE-LBPRGKRZSA-N 2 2 272.356 0.844 20 0 CCADLP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@H](C)[NH+]1CCOCC1 ZINC000548798299 286069077 /nfs/dbraw/zinc/06/90/77/286069077.db2.gz WXYRXECILDBWPQ-NEPJUHHUSA-N 2 2 280.372 0.188 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000552979959 286176801 /nfs/dbraw/zinc/17/68/01/286176801.db2.gz HXINZOHLPQHELK-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000552979959 286176803 /nfs/dbraw/zinc/17/68/03/286176803.db2.gz HXINZOHLPQHELK-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP COc1cc2c(cc1C[N@@H+]1CCCO[C@H](C[NH3+])C1)OCO2 ZINC000415104124 286253279 /nfs/dbraw/zinc/25/32/79/286253279.db2.gz GOFRKMJPTCIXDK-GFCCVEGCSA-N 2 2 294.351 0.974 20 0 CCADLP COc1cc2c(cc1C[N@H+]1CCCO[C@H](C[NH3+])C1)OCO2 ZINC000415104124 286253282 /nfs/dbraw/zinc/25/32/82/286253282.db2.gz GOFRKMJPTCIXDK-GFCCVEGCSA-N 2 2 294.351 0.974 20 0 CCADLP [NH3+][C@H]1CCCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000659074471 413273777 /nfs/dbraw/zinc/27/37/77/413273777.db2.gz IVAGVFQTHUJTGJ-JTQLQIEISA-N 2 2 287.323 0.223 20 0 CCADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2C)[C@@H]1SC ZINC000459423101 286389177 /nfs/dbraw/zinc/38/91/77/286389177.db2.gz YTVWKPIZZRDSQP-RQJABVFESA-N 2 2 287.473 0.731 20 0 CCADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)[C@@H]1SC ZINC000459423101 286389180 /nfs/dbraw/zinc/38/91/80/286389180.db2.gz YTVWKPIZZRDSQP-RQJABVFESA-N 2 2 287.473 0.731 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659107348 413284629 /nfs/dbraw/zinc/28/46/29/413284629.db2.gz XEZYACPUGFHKPE-SNVBAGLBSA-N 2 2 294.355 0.518 20 0 CCADLP CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423159734 286839607 /nfs/dbraw/zinc/83/96/07/286839607.db2.gz PZGMBOUNTNETRJ-DCAQKATOSA-N 2 2 263.407 0.044 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000417044508 286922612 /nfs/dbraw/zinc/92/26/12/286922612.db2.gz YQSCKWHWISTANL-MGPQQGTHSA-N 2 2 298.431 0.618 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659357666 413443164 /nfs/dbraw/zinc/44/31/64/413443164.db2.gz LPHWXYYAGNTRCJ-MJBXVCDLSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)NC[C@H]1CCCO1 ZINC000424277701 287057440 /nfs/dbraw/zinc/05/74/40/287057440.db2.gz AROQUUCTBHADCE-FDYHWXHSSA-N 2 2 269.389 0.530 20 0 CCADLP C[N@H+](CCC[NH3+])CC(=O)NCCOc1ccccc1 ZINC000123322468 411710155 /nfs/dbraw/zinc/71/01/55/411710155.db2.gz ZYWBASACBUUARJ-UHFFFAOYSA-N 2 2 265.357 0.462 20 0 CCADLP C[N@@H+](CCC[NH3+])CC(=O)NCCOc1ccccc1 ZINC000123322468 411710160 /nfs/dbraw/zinc/71/01/60/411710160.db2.gz ZYWBASACBUUARJ-UHFFFAOYSA-N 2 2 265.357 0.462 20 0 CCADLP C[C@@H]1CN(CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)C[C@@H](C)O1 ZINC000314194618 411755435 /nfs/dbraw/zinc/75/54/35/411755435.db2.gz NUSRJGBJHHOXCA-MQYQWHSLSA-N 2 2 253.390 0.247 20 0 CCADLP C[N@H+]1CCN(C(=O)CCc2ccncc2)[C@H](C[NH3+])C1 ZINC000132838414 411727368 /nfs/dbraw/zinc/72/73/68/411727368.db2.gz ZBLZGRQOEIYXFU-CYBMUJFWSA-N 2 2 262.357 0.116 20 0 CCADLP C[C@@H]1CCC[N@H+](Cc2nc(N)nc(N(C)C)n2)[C@@H]1CC[NH3+] ZINC000404367426 411795136 /nfs/dbraw/zinc/79/51/36/411795136.db2.gz PXFKPEOSZFNKGW-GHMZBOCLSA-N 2 2 293.419 0.299 20 0 CCADLP C[C@@H]1CCC[N@@H+](Cc2nc(N)nc(N(C)C)n2)[C@@H]1CC[NH3+] ZINC000404367426 411795138 /nfs/dbraw/zinc/79/51/38/411795138.db2.gz PXFKPEOSZFNKGW-GHMZBOCLSA-N 2 2 293.419 0.299 20 0 CCADLP C[C@H]1CCC[N@H+](Cc2nnnn2C2CC2)[C@@H]1CC[NH3+] ZINC000404411500 411795808 /nfs/dbraw/zinc/79/58/08/411795808.db2.gz XUJIXNTXLIBENA-CMPLNLGQSA-N 2 2 264.377 0.957 20 0 CCADLP C[C@H]1CCC[N@@H+](Cc2nnnn2C2CC2)[C@@H]1CC[NH3+] ZINC000404411500 411795811 /nfs/dbraw/zinc/79/58/11/411795811.db2.gz XUJIXNTXLIBENA-CMPLNLGQSA-N 2 2 264.377 0.957 20 0 CCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405885616 411803671 /nfs/dbraw/zinc/80/36/71/411803671.db2.gz VIQPROBQNLXJFX-IJLUTSLNSA-N 2 2 257.378 0.197 20 0 CCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405885616 411803674 /nfs/dbraw/zinc/80/36/74/411803674.db2.gz VIQPROBQNLXJFX-IJLUTSLNSA-N 2 2 257.378 0.197 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407425843 411808669 /nfs/dbraw/zinc/80/86/69/411808669.db2.gz KFSUGYREESVQIR-OLZOCXBDSA-N 2 2 262.357 0.920 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCCC1CC[NH2+]CC1 ZINC000652146104 411993211 /nfs/dbraw/zinc/99/32/11/411993211.db2.gz INZFLGZXRNVOCC-CYBMUJFWSA-N 2 2 298.431 0.396 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCCC1CC[NH2+]CC1 ZINC000652146104 411993218 /nfs/dbraw/zinc/99/32/18/411993218.db2.gz INZFLGZXRNVOCC-CYBMUJFWSA-N 2 2 298.431 0.396 20 0 CCADLP C[NH2+]C[C@@](C)(O)CN1CCn2c(C)c(C)[nH+]c2C1 ZINC000652338948 412031211 /nfs/dbraw/zinc/03/12/11/412031211.db2.gz OXDPTTKFRLRDGB-CYBMUJFWSA-N 2 2 252.362 0.286 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000652339472 412031771 /nfs/dbraw/zinc/03/17/71/412031771.db2.gz XKJGTAOSXGZFSD-CYBMUJFWSA-N 3 2 252.362 0.560 20 0 CCADLP CCO[C@@H]1C[N@H+](CC(=O)NCC2CCCCC2)C[C@H]1C[NH3+] ZINC000652358290 412038082 /nfs/dbraw/zinc/03/80/82/412038082.db2.gz UDJZKEJAOOKNBD-HUUCEWRRSA-N 2 2 297.443 0.979 20 0 CCADLP CCO[C@@H]1C[N@@H+](CC(=O)NCC2CCCCC2)C[C@H]1C[NH3+] ZINC000652358290 412038085 /nfs/dbraw/zinc/03/80/85/412038085.db2.gz UDJZKEJAOOKNBD-HUUCEWRRSA-N 2 2 297.443 0.979 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000284777460 196130480 /nfs/dbraw/zinc/13/04/80/196130480.db2.gz LGEISBAEXWAKPL-GFCCVEGCSA-N 2 2 278.356 0.920 20 0 CCADLP CC(C)n1cc([C@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C)cn1 ZINC000653089952 412214559 /nfs/dbraw/zinc/21/45/59/412214559.db2.gz ZPPYWMNGSOBWRT-WCQYABFASA-N 2 2 281.404 0.920 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCC(=O)Nc1ccccc1 ZINC000653090701 412214690 /nfs/dbraw/zinc/21/46/90/412214690.db2.gz YFKUGHOFAHNDEU-CYBMUJFWSA-N 2 2 292.383 0.410 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H](C)[NH2+]1 ZINC000653050234 412201103 /nfs/dbraw/zinc/20/11/03/412201103.db2.gz KDUGDTKOKFGIAD-TXEJJXNPSA-N 2 2 276.384 0.971 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)OCO2 ZINC000653056063 412204028 /nfs/dbraw/zinc/20/40/28/412204028.db2.gz SHRYWLZOCJMZFS-JTQLQIEISA-N 2 2 265.313 0.633 20 0 CCADLP Cc1ccc(OCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653058275 412205173 /nfs/dbraw/zinc/20/51/73/412205173.db2.gz LWYXPOPGFDRUDF-AWEZNQCLSA-N 2 2 279.384 0.769 20 0 CCADLP COc1cccc(CN(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000653058421 412206095 /nfs/dbraw/zinc/20/60/95/412206095.db2.gz RXTDNYAQPHYKCY-AWEZNQCLSA-N 2 2 279.384 0.933 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1cccc(F)c1 ZINC000653064916 412206917 /nfs/dbraw/zinc/20/69/17/412206917.db2.gz KNRMVFMTHNYICU-LBPRGKRZSA-N 2 2 253.321 0.721 20 0 CCADLP CCCCn1nccc1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653068448 412207204 /nfs/dbraw/zinc/20/72/04/412207204.db2.gz CTPLSKCOLKOHHB-NSHDSACASA-N 2 2 267.377 0.901 20 0 CCADLP C[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccc2c(c1)OCO2 ZINC000653063308 412207689 /nfs/dbraw/zinc/20/76/89/412207689.db2.gz BLUIMRXGWULCJN-CMPLNLGQSA-N 2 2 293.367 0.872 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCc1ccsc1 ZINC000653069568 412208647 /nfs/dbraw/zinc/20/86/47/412208647.db2.gz SYWGOIOZPXZPHX-LLVKDONJSA-N 2 2 255.387 0.686 20 0 CCADLP CCO[C@@H]1CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653072161 412208707 /nfs/dbraw/zinc/20/87/07/412208707.db2.gz GMKDXJPROPNSKD-VXGBXAGGSA-N 2 2 257.378 0.293 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@H]1Cc2ccccc21 ZINC000653074489 412209588 /nfs/dbraw/zinc/20/95/88/412209588.db2.gz JJVOIVHHIVUARX-TZMCWYRMSA-N 2 2 261.369 0.722 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCC(=O)NC1CCCCC1 ZINC000653075600 412209858 /nfs/dbraw/zinc/20/98/58/412209858.db2.gz UCLUQAXWSWDCGB-CYBMUJFWSA-N 2 2 298.431 0.221 20 0 CCADLP C[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C(=O)N1CCCC[C@@H]1C ZINC000653081904 412211051 /nfs/dbraw/zinc/21/10/51/412211051.db2.gz CDDZDWYBNRUOMT-RWMBFGLXSA-N 2 2 298.431 0.171 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C[C@@H](C)S1 ZINC000653080350 412211513 /nfs/dbraw/zinc/21/15/13/412211513.db2.gz CPMMJCZPXOCHLL-MXWKQRLJSA-N 2 2 259.419 0.618 20 0 CCADLP COCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1CCCC1 ZINC000653082790 412213126 /nfs/dbraw/zinc/21/31/26/412213126.db2.gz DXSQNDKBZIFHOF-CYBMUJFWSA-N 2 2 271.405 0.683 20 0 CCADLP O=C(c1ccc2[nH+]ccn2c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652889072 412145527 /nfs/dbraw/zinc/14/55/27/412145527.db2.gz FYASSTULWXLCLT-CYBMUJFWSA-N 2 2 286.335 0.225 20 0 CCADLP O=C(c1ccc2[nH+]ccn2c1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652889072 412145530 /nfs/dbraw/zinc/14/55/30/412145530.db2.gz FYASSTULWXLCLT-CYBMUJFWSA-N 2 2 286.335 0.225 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@H](C)CO1 ZINC000653203510 412258937 /nfs/dbraw/zinc/25/89/37/412258937.db2.gz PCPHAQXBIGWIDJ-UTUOFQBUSA-N 2 2 257.378 0.291 20 0 CCADLP CCCC[C@H](COC)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653093619 412216008 /nfs/dbraw/zinc/21/60/08/412216008.db2.gz IJJBVNNAFLEPSR-VXGBXAGGSA-N 2 2 259.394 0.587 20 0 CCADLP CCO[C@@H](CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(C)C ZINC000653101614 412219056 /nfs/dbraw/zinc/21/90/56/412219056.db2.gz ADJKMRIOPHPCQM-STQMWFEESA-N 2 2 273.421 0.833 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000653109500 412221227 /nfs/dbraw/zinc/22/12/27/412221227.db2.gz CUYHUUZCWXYDNQ-HUUCEWRRSA-N 3 2 298.475 0.892 20 0 CCADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653111076 412223802 /nfs/dbraw/zinc/22/38/02/412223802.db2.gz CLMDHLQBLDFKIG-AAEUAGOBSA-N 3 2 281.404 0.223 20 0 CCADLP C[NH+](C)CC[C@H](N)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000653112759 412224707 /nfs/dbraw/zinc/22/47/07/412224707.db2.gz JEHSGVIKHPVYGK-HNNXBMFYSA-N 2 2 290.411 0.397 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000653112759 412224710 /nfs/dbraw/zinc/22/47/10/412224710.db2.gz JEHSGVIKHPVYGK-HNNXBMFYSA-N 3 2 290.411 0.397 20 0 CCADLP C[C@@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000653113870 412226065 /nfs/dbraw/zinc/22/60/65/412226065.db2.gz QOOJJONQXXJODH-UONOGXRCSA-N 3 2 284.448 0.502 20 0 CCADLP CC[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1ccncc1 ZINC000653119369 412230242 /nfs/dbraw/zinc/23/02/42/412230242.db2.gz HOJZXYBDRPJOIS-QWHCGFSZSA-N 2 2 264.373 0.928 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cnn(-c2ccccn2)c1 ZINC000653121413 412230303 /nfs/dbraw/zinc/23/03/03/412230303.db2.gz UDVYAJMSCGAAIQ-LBPRGKRZSA-N 2 2 288.355 0.485 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000653138172 412237303 /nfs/dbraw/zinc/23/73/03/412237303.db2.gz LYRJFNFWUGISNA-GFCCVEGCSA-N 3 2 294.374 0.689 20 0 CCADLP COCCN(Cc1ccccn1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653148762 412241504 /nfs/dbraw/zinc/24/15/04/412241504.db2.gz KRDQDJHPHBLUHD-CQSZACIVSA-N 2 2 294.399 0.336 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCC[C@@H]1CCCC[C@@H]1O ZINC000653150648 412243745 /nfs/dbraw/zinc/24/37/45/412243745.db2.gz JBLOFDJVFUZSCF-IHRRRGAJSA-N 2 2 285.432 0.713 20 0 CCADLP COCC1(C)CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653153834 412245080 /nfs/dbraw/zinc/24/50/80/412245080.db2.gz ABINBCZJCJIRAL-GFCCVEGCSA-N 2 2 271.405 0.541 20 0 CCADLP Cc1cnc([C@@H](C)CNC(=O)[C@H]([NH3+])CC[NH+](C)C)s1 ZINC000653155835 412245286 /nfs/dbraw/zinc/24/52/86/412245286.db2.gz IRWNXWVDVKLYJR-GXSJLCMTSA-N 2 2 284.429 0.950 20 0 CCADLP C[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H](O)Cc1ccccc1 ZINC000653157530 412246652 /nfs/dbraw/zinc/24/66/52/412246652.db2.gz DUIHVMHFAXQVNN-NWANDNLSSA-N 2 2 293.411 0.374 20 0 CCADLP Cc1cc(CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc(C)c1O ZINC000653160308 412246754 /nfs/dbraw/zinc/24/67/54/412246754.db2.gz BVSSWKXYLWGLAR-AWEZNQCLSA-N 2 2 293.411 0.947 20 0 CCADLP CCC(=O)N[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)CC)C1 ZINC000653526653 412311346 /nfs/dbraw/zinc/31/13/46/412311346.db2.gz JUVUFVOEUNVNHM-QWHCGFSZSA-N 2 2 271.405 0.290 20 0 CCADLP CCC(=O)N[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)CC)C1 ZINC000653526653 412311349 /nfs/dbraw/zinc/31/13/49/412311349.db2.gz JUVUFVOEUNVNHM-QWHCGFSZSA-N 2 2 271.405 0.290 20 0 CCADLP CCC(=O)N[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000653526653 412311350 /nfs/dbraw/zinc/31/13/50/412311350.db2.gz JUVUFVOEUNVNHM-QWHCGFSZSA-N 2 2 271.405 0.290 20 0 CCADLP CCC(=O)N[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000653526653 412311353 /nfs/dbraw/zinc/31/13/53/412311353.db2.gz JUVUFVOEUNVNHM-QWHCGFSZSA-N 2 2 271.405 0.290 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](n2ccnc2)C1 ZINC000653547547 412315433 /nfs/dbraw/zinc/31/54/33/412315433.db2.gz OWHVGYKWHWYBSG-HUUCEWRRSA-N 2 2 296.415 0.459 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](n2ccnc2)C1 ZINC000653547547 412315434 /nfs/dbraw/zinc/31/54/34/412315434.db2.gz OWHVGYKWHWYBSG-HUUCEWRRSA-N 2 2 296.415 0.459 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000653547547 412315436 /nfs/dbraw/zinc/31/54/36/412315436.db2.gz OWHVGYKWHWYBSG-HUUCEWRRSA-N 2 2 296.415 0.459 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000653547547 412315439 /nfs/dbraw/zinc/31/54/39/412315439.db2.gz OWHVGYKWHWYBSG-HUUCEWRRSA-N 2 2 296.415 0.459 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccc(OC)nc1 ZINC000653587667 412320399 /nfs/dbraw/zinc/32/03/99/412320399.db2.gz NAUKDLYZINOSCF-ZDUSSCGKSA-N 2 2 267.373 0.835 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccc(OC)nc1 ZINC000653587667 412320401 /nfs/dbraw/zinc/32/04/01/412320401.db2.gz NAUKDLYZINOSCF-ZDUSSCGKSA-N 2 2 267.373 0.835 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccc(OC)nc1 ZINC000653587667 412320404 /nfs/dbraw/zinc/32/04/04/412320404.db2.gz NAUKDLYZINOSCF-ZDUSSCGKSA-N 2 2 267.373 0.835 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccc(OC)nc1 ZINC000653587667 412320405 /nfs/dbraw/zinc/32/04/05/412320405.db2.gz NAUKDLYZINOSCF-ZDUSSCGKSA-N 2 2 267.373 0.835 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cnccc1C ZINC000653612390 412323687 /nfs/dbraw/zinc/32/36/87/412323687.db2.gz NTZFGPOBEULBGZ-KGLIPLIRSA-N 2 2 281.400 0.980 20 0 CCADLP Cn1cnnc1N1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000653823267 412353694 /nfs/dbraw/zinc/35/36/94/412353694.db2.gz AJBSSRBTVSCTOO-UHFFFAOYSA-N 2 2 292.431 0.813 20 0 CCADLP CC(C)[NH+]1CCC([NH+]2CCN(c3ncnn3C)CC2)CC1 ZINC000653468029 412301462 /nfs/dbraw/zinc/30/14/62/412301462.db2.gz HAAWZYUAQNXZJS-UHFFFAOYSA-N 2 2 292.431 0.810 20 0 CCADLP C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC(C)(C)C3)[C@@H]2C1 ZINC000655104470 412477917 /nfs/dbraw/zinc/47/79/17/412477917.db2.gz HMYISKBTRJXXPY-NWDGAFQWSA-N 2 2 251.374 0.491 20 0 CCADLP C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC(C)(C)C3)[C@@H]2C1 ZINC000655104470 412477918 /nfs/dbraw/zinc/47/79/18/412477918.db2.gz HMYISKBTRJXXPY-NWDGAFQWSA-N 2 2 251.374 0.491 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000659438172 413496126 /nfs/dbraw/zinc/49/61/26/413496126.db2.gz PSXGRDZDUHQRPL-NSHDSACASA-N 2 2 279.388 0.669 20 0 CCADLP C[C@H](NC(=O)NCC12CC(C1)C[NH2+]2)[C@H](C)[NH+]1CCOCC1 ZINC000659450289 413511064 /nfs/dbraw/zinc/51/10/64/413511064.db2.gz KFDQUCGDBOPVTM-YKQCJFHZSA-N 2 2 296.415 0.147 20 0 CCADLP CN(CCC[NH3+])C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000659473121 413532474 /nfs/dbraw/zinc/53/24/74/413532474.db2.gz OOWLSCIYTSJYLZ-GFCCVEGCSA-N 2 2 277.372 0.651 20 0 CCADLP O=C(NCCC[NH2+]C1CC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659506305 413563473 /nfs/dbraw/zinc/56/34/73/413563473.db2.gz OZJRUEXXBODVNW-AWEZNQCLSA-N 2 2 296.415 0.245 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659515246 413577212 /nfs/dbraw/zinc/57/72/12/413577212.db2.gz BGILSQUTKRRMET-STQMWFEESA-N 2 2 284.404 0.086 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000659555157 413649346 /nfs/dbraw/zinc/64/93/46/413649346.db2.gz OYIDZGDGHGBERZ-NXEZZACHSA-N 2 2 251.334 0.679 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000659555157 413649353 /nfs/dbraw/zinc/64/93/53/413649353.db2.gz OYIDZGDGHGBERZ-NXEZZACHSA-N 2 2 251.334 0.679 20 0 CCADLP CC[C@@H](C)CCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000659563836 413659331 /nfs/dbraw/zinc/65/93/31/413659331.db2.gz PWISCWPMVRPZJH-VXGBXAGGSA-N 2 2 256.394 0.707 20 0 CCADLP CC[C@@H](C)CCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000659563836 413659339 /nfs/dbraw/zinc/65/93/39/413659339.db2.gz PWISCWPMVRPZJH-VXGBXAGGSA-N 2 2 256.394 0.707 20 0 CCADLP C[C@H](C[NH3+])NC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000659529432 413610258 /nfs/dbraw/zinc/61/02/58/413610258.db2.gz BHYVTQSZIVDMHO-LLVKDONJSA-N 2 2 277.372 0.828 20 0 CCADLP C[C@@H](NC(=O)N[C@H]1CCC[NH2+]CC1)c1[nH+]ccn1C ZINC000659536305 413622947 /nfs/dbraw/zinc/62/29/47/413622947.db2.gz NCOHZEIPTXEBNU-MNOVXSKESA-N 2 2 265.361 0.922 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@@]2(C)CC2(F)F)[C@H](C[NH3+])C1 ZINC000659600066 413683286 /nfs/dbraw/zinc/68/32/86/413683286.db2.gz KHLQRJYZUBKMOK-MWLCHTKSSA-N 2 2 276.331 0.316 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@@]2(C)CC2(F)F)[C@H](C[NH3+])C1 ZINC000659600066 413683294 /nfs/dbraw/zinc/68/32/94/413683294.db2.gz KHLQRJYZUBKMOK-MWLCHTKSSA-N 2 2 276.331 0.316 20 0 CCADLP C[C@H](NC(=O)N1CC[NH2+][C@H](C)[C@H]1C)c1[nH+]ccn1C ZINC000659628276 413725112 /nfs/dbraw/zinc/72/51/12/413725112.db2.gz NZPBMKNZAMZUOJ-OUAUKWLOSA-N 2 2 265.361 0.873 20 0 CCADLP C[NH2+]C[C@@H]1CCCN1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000659627696 413726587 /nfs/dbraw/zinc/72/65/87/413726587.db2.gz HYLGFRYHCPMDAV-QWRGUYRKSA-N 2 2 265.361 0.875 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000659640701 413746384 /nfs/dbraw/zinc/74/63/84/413746384.db2.gz IEVRTHGLXGYCCT-LBPRGKRZSA-N 2 2 277.372 0.521 20 0 CCADLP CC(=O)c1nc(CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)[nH]c1C ZINC000659850395 413910384 /nfs/dbraw/zinc/91/03/84/413910384.db2.gz OZUBOXFMPVDAIC-RYUDHWBXSA-N 2 2 262.357 0.614 20 0 CCADLP CC(=O)c1[nH]c(CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)nc1C ZINC000659850395 413910391 /nfs/dbraw/zinc/91/03/91/413910391.db2.gz OZUBOXFMPVDAIC-RYUDHWBXSA-N 2 2 262.357 0.614 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000659976067 414010034 /nfs/dbraw/zinc/01/00/34/414010034.db2.gz PXYGALBJNFCVND-CYBMUJFWSA-N 2 2 296.415 0.544 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000659976067 414010042 /nfs/dbraw/zinc/01/00/42/414010042.db2.gz PXYGALBJNFCVND-CYBMUJFWSA-N 2 2 296.415 0.544 20 0 CCADLP CCN1CC[C@@H]([NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000660004662 414042168 /nfs/dbraw/zinc/04/21/68/414042168.db2.gz ZYRDZZHNGHZBPG-CQSZACIVSA-N 2 2 274.368 0.824 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1cnccn1 ZINC000660119247 414128549 /nfs/dbraw/zinc/12/85/49/414128549.db2.gz ZXHLYKGWHLVGEQ-UHFFFAOYSA-N 2 2 288.355 0.942 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)CN1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000660127543 414135478 /nfs/dbraw/zinc/13/54/78/414135478.db2.gz BGKKCWVDCCWUBR-ZIAGYGMSSA-N 2 2 280.416 0.911 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000660127543 414135490 /nfs/dbraw/zinc/13/54/90/414135490.db2.gz BGKKCWVDCCWUBR-ZIAGYGMSSA-N 2 2 280.416 0.911 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2nccn2C)C1 ZINC000660127543 414135501 /nfs/dbraw/zinc/13/55/01/414135501.db2.gz BGKKCWVDCCWUBR-ZIAGYGMSSA-N 2 2 280.416 0.911 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2nccn2C)C1 ZINC000660127543 414135510 /nfs/dbraw/zinc/13/55/10/414135510.db2.gz BGKKCWVDCCWUBR-ZIAGYGMSSA-N 2 2 280.416 0.911 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000660127543 414135516 /nfs/dbraw/zinc/13/55/16/414135516.db2.gz BGKKCWVDCCWUBR-ZIAGYGMSSA-N 2 2 280.416 0.911 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000660127543 414135523 /nfs/dbraw/zinc/13/55/23/414135523.db2.gz BGKKCWVDCCWUBR-ZIAGYGMSSA-N 2 2 280.416 0.911 20 0 CCADLP CCN1CC[C@@H]([N@@H+](C)CCN(C)C2CC[NH+](C)CC2)C1=O ZINC000660139643 414142283 /nfs/dbraw/zinc/14/22/83/414142283.db2.gz XOIJIFBERFNVTQ-OAHLLOKOSA-N 2 2 296.459 0.565 20 0 CCADLP CCN1CC[C@@H](N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1=O ZINC000660139643 414142295 /nfs/dbraw/zinc/14/22/95/414142295.db2.gz XOIJIFBERFNVTQ-OAHLLOKOSA-N 2 2 296.459 0.565 20 0 CCADLP CCN1CC[C@@H](N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1=O ZINC000660139643 414142306 /nfs/dbraw/zinc/14/23/06/414142306.db2.gz XOIJIFBERFNVTQ-OAHLLOKOSA-N 2 2 296.459 0.565 20 0 CCADLP C[C@H]1C[N@H+](Cc2cn(C)cn2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000660158344 414171616 /nfs/dbraw/zinc/17/16/16/414171616.db2.gz XIYUQWUXDHXYIK-GOEBONIOSA-N 2 2 291.443 0.878 20 0 CCADLP C[C@H]1C[N@@H+](Cc2cn(C)cn2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000660158344 414171622 /nfs/dbraw/zinc/17/16/22/414171622.db2.gz XIYUQWUXDHXYIK-GOEBONIOSA-N 2 2 291.443 0.878 20 0 CCADLP C[C@@H]1C[N@H+](Cc2cn(C)cn2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000660158340 414172855 /nfs/dbraw/zinc/17/28/55/414172855.db2.gz XIYUQWUXDHXYIK-GDBMZVCRSA-N 2 2 291.443 0.878 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2cn(C)cn2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000660158340 414172863 /nfs/dbraw/zinc/17/28/63/414172863.db2.gz XIYUQWUXDHXYIK-GDBMZVCRSA-N 2 2 291.443 0.878 20 0 CCADLP C(C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)N1CCOCC1 ZINC000660473919 414343738 /nfs/dbraw/zinc/34/37/38/414343738.db2.gz WBHCJWDLSKHHDN-MRXNPFEDSA-N 2 2 297.443 0.505 20 0 CCADLP C(C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)N1CCOCC1 ZINC000660473919 414343745 /nfs/dbraw/zinc/34/37/45/414343745.db2.gz WBHCJWDLSKHHDN-MRXNPFEDSA-N 2 2 297.443 0.505 20 0 CCADLP CC(C)C[NH2+]C1(CO)CC[NH+](CCn2cccn2)CC1 ZINC000660695061 414446724 /nfs/dbraw/zinc/44/67/24/414446724.db2.gz LMCWMWAGTOTQEE-UHFFFAOYSA-N 2 2 280.416 0.956 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000661045646 414547465 /nfs/dbraw/zinc/54/74/65/414547465.db2.gz OADDCSLEXHHUST-LBPRGKRZSA-N 2 2 277.372 0.401 20 0 CCADLP Cc1nnc([C@@H]2CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C2)[nH]1 ZINC000660806914 414487593 /nfs/dbraw/zinc/48/75/93/414487593.db2.gz ZDVGQCFGUJDLBP-CHWSQXEVSA-N 2 2 281.404 0.604 20 0 CCADLP Cc1nnc([C@@H]2CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C2)[nH]1 ZINC000660806914 414487597 /nfs/dbraw/zinc/48/75/97/414487597.db2.gz ZDVGQCFGUJDLBP-CHWSQXEVSA-N 2 2 281.404 0.604 20 0 CCADLP Cc1nnc([C@@H]2CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C2)[nH]1 ZINC000660806914 414487600 /nfs/dbraw/zinc/48/76/00/414487600.db2.gz ZDVGQCFGUJDLBP-CHWSQXEVSA-N 2 2 281.404 0.604 20 0 CCADLP Cc1nnc([C@@H]2CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C2)[nH]1 ZINC000660806914 414487604 /nfs/dbraw/zinc/48/76/04/414487604.db2.gz ZDVGQCFGUJDLBP-CHWSQXEVSA-N 2 2 281.404 0.604 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000660827400 414492664 /nfs/dbraw/zinc/49/26/64/414492664.db2.gz KRPWEOWXANNJTO-LBPRGKRZSA-N 2 2 297.403 0.749 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000660848362 414506450 /nfs/dbraw/zinc/50/64/50/414506450.db2.gz HORIBAVJQWWXSZ-JTQLQIEISA-N 2 2 276.344 0.985 20 0 CCADLP COCC(C)(C)[NH+]1CCN(Cc2cn(C)c[nH+]2)CC1 ZINC000660887614 414523567 /nfs/dbraw/zinc/52/35/67/414523567.db2.gz ZRGUWFVPTIXDAJ-UHFFFAOYSA-N 2 2 266.389 0.963 20 0 CCADLP C[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@H]1CCO ZINC000661489436 414634539 /nfs/dbraw/zinc/63/45/39/414634539.db2.gz PIYMHRNZPHZSOL-KGLIPLIRSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@H]1CCO ZINC000661489436 414634544 /nfs/dbraw/zinc/63/45/44/414634544.db2.gz PIYMHRNZPHZSOL-KGLIPLIRSA-N 2 2 283.416 0.243 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000661596666 414647591 /nfs/dbraw/zinc/64/75/91/414647591.db2.gz KCPMMOAYJSZTKP-QWHCGFSZSA-N 2 2 262.357 0.792 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000661596666 414647594 /nfs/dbraw/zinc/64/75/94/414647594.db2.gz KCPMMOAYJSZTKP-QWHCGFSZSA-N 2 2 262.357 0.792 20 0 CCADLP CC[C@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CC1 ZINC000661757342 414672709 /nfs/dbraw/zinc/67/27/09/414672709.db2.gz FUOPXNRLRKAKQV-AWEZNQCLSA-N 2 2 297.443 0.992 20 0 CCADLP C([C@@H]1CCCO1)N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662258873 414701499 /nfs/dbraw/zinc/70/14/99/414701499.db2.gz NHFKTDFOFGSXQT-LSDHHAIUSA-N 2 2 295.427 0.304 20 0 CCADLP COCCOCCOCCC[N@@H+]1CC[NH2+]C[C@@](C)(F)C1 ZINC000662273340 414703806 /nfs/dbraw/zinc/70/38/06/414703806.db2.gz MFVDHDIFTIDDHD-CQSZACIVSA-N 2 2 292.395 0.690 20 0 CCADLP COCCOCCOCCC[N@H+]1CC[NH2+]C[C@@](C)(F)C1 ZINC000662273340 414703807 /nfs/dbraw/zinc/70/38/07/414703807.db2.gz MFVDHDIFTIDDHD-CQSZACIVSA-N 2 2 292.395 0.690 20 0 CCADLP CN1CCC[C@@H]([N@@H+]2CC3CCC2(C[NH3+])CC3)C1=O ZINC000662283702 414705484 /nfs/dbraw/zinc/70/54/84/414705484.db2.gz JVKATEYGHKYVQW-MBHSVXNSSA-N 2 2 251.374 0.811 20 0 CCADLP CN1CCC[C@@H]([N@H+]2CC3CCC2(C[NH3+])CC3)C1=O ZINC000662283702 414705485 /nfs/dbraw/zinc/70/54/85/414705485.db2.gz JVKATEYGHKYVQW-MBHSVXNSSA-N 2 2 251.374 0.811 20 0 CCADLP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)CCO1 ZINC000662327303 414710516 /nfs/dbraw/zinc/71/05/16/414710516.db2.gz MOAVDBVTTYVZGF-ZIAGYGMSSA-N 3 2 255.406 0.639 20 0 CCADLP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CCO1 ZINC000662327303 414710517 /nfs/dbraw/zinc/71/05/17/414710517.db2.gz MOAVDBVTTYVZGF-ZIAGYGMSSA-N 3 2 255.406 0.639 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662335954 414710980 /nfs/dbraw/zinc/71/09/80/414710980.db2.gz BJAGANUIOQISME-QWHCGFSZSA-N 3 2 292.431 0.346 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662335954 414710981 /nfs/dbraw/zinc/71/09/81/414710981.db2.gz BJAGANUIOQISME-QWHCGFSZSA-N 3 2 292.431 0.346 20 0 CCADLP Cn1cc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cn1 ZINC000662153418 414694015 /nfs/dbraw/zinc/69/40/15/414694015.db2.gz BFKDXKILFDCAES-AWEZNQCLSA-N 2 2 264.373 0.451 20 0 CCADLP Cn1cc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cn1 ZINC000662153418 414694016 /nfs/dbraw/zinc/69/40/16/414694016.db2.gz BFKDXKILFDCAES-AWEZNQCLSA-N 2 2 264.373 0.451 20 0 CCADLP CC(C)C(=O)N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662249572 414699305 /nfs/dbraw/zinc/69/93/05/414699305.db2.gz XEZXAOYCDBGMQF-CYBMUJFWSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@@](C[NH3+])([NH2+]Cc1coc(S(N)(=O)=O)c1)C1CC1 ZINC000662247318 414699417 /nfs/dbraw/zinc/69/94/17/414699417.db2.gz FRRKECHOOVYNNQ-NSHDSACASA-N 2 2 273.358 0.144 20 0 CCADLP O=C(C1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1)N1CCCCC1 ZINC000662248570 414699481 /nfs/dbraw/zinc/69/94/81/414699481.db2.gz GGYFXKVYBZASEK-HNNXBMFYSA-N 2 2 295.427 0.699 20 0 CCADLP CNC(=O)c1ccc(C[N@H+](C)C[C@H]2C[NH2+]CCO2)cc1 ZINC000662248525 414699518 /nfs/dbraw/zinc/69/95/18/414699518.db2.gz FCNVIVVSCDSTBZ-CQSZACIVSA-N 2 2 277.368 0.466 20 0 CCADLP CNC(=O)c1ccc(C[N@@H+](C)C[C@H]2C[NH2+]CCO2)cc1 ZINC000662248525 414699519 /nfs/dbraw/zinc/69/95/19/414699519.db2.gz FCNVIVVSCDSTBZ-CQSZACIVSA-N 2 2 277.368 0.466 20 0 CCADLP O=C1C[C@@H](c2ccccc2)[N@H+](C[C@@H]2C[NH2+]CCO2)CCN1 ZINC000662252515 414699892 /nfs/dbraw/zinc/69/98/92/414699892.db2.gz PBLRJIJYOFJTEG-GJZGRUSLSA-N 2 2 289.379 0.538 20 0 CCADLP O=C1C[C@@H](c2ccccc2)[N@@H+](C[C@@H]2C[NH2+]CCO2)CCN1 ZINC000662252515 414699893 /nfs/dbraw/zinc/69/98/93/414699893.db2.gz PBLRJIJYOFJTEG-GJZGRUSLSA-N 2 2 289.379 0.538 20 0 CCADLP CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662257509 414700912 /nfs/dbraw/zinc/70/09/12/414700912.db2.gz PGGBABVZPHKMTD-ILXRZTDVSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662257509 414700913 /nfs/dbraw/zinc/70/09/13/414700913.db2.gz PGGBABVZPHKMTD-ILXRZTDVSA-N 2 2 283.416 0.696 20 0 CCADLP [NH3+][C@H]1C[C@H](C(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000662754100 414762438 /nfs/dbraw/zinc/76/24/38/414762438.db2.gz DAWHGGSBQHJTPK-JOCQHMNTSA-N 2 2 274.368 0.463 20 0 CCADLP Cn1cc[nH+]c1[C@H]1N(C(=O)C[C@H]2COCC[NH2+]2)CC1(C)C ZINC000662755313 414765079 /nfs/dbraw/zinc/76/50/79/414765079.db2.gz DUHUFNIBHITQSW-WCQYABFASA-N 2 2 292.383 0.708 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000662479537 414721969 /nfs/dbraw/zinc/72/19/69/414721969.db2.gz QCQAJZWLIHOCLF-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP CC(C)[NH2+]CC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662531124 414725898 /nfs/dbraw/zinc/72/58/98/414725898.db2.gz DIFYYHZUFCQFFK-BETUJISGSA-N 2 2 271.405 0.552 20 0 CCADLP CC(C)[NH2+]CC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662531124 414725899 /nfs/dbraw/zinc/72/58/99/414725899.db2.gz DIFYYHZUFCQFFK-BETUJISGSA-N 2 2 271.405 0.552 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000662624039 414734042 /nfs/dbraw/zinc/73/40/42/414734042.db2.gz QSTRQFUPYGNNKD-ZDUSSCGKSA-N 2 2 292.383 0.662 20 0 CCADLP CC(C)[NH2+]CC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000662633254 414735170 /nfs/dbraw/zinc/73/51/70/414735170.db2.gz JRKSIRJZSBSQEV-VXGBXAGGSA-N 2 2 257.378 0.210 20 0 CCADLP CC(C)[NH2+]CC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000662633254 414735171 /nfs/dbraw/zinc/73/51/71/414735171.db2.gz JRKSIRJZSBSQEV-VXGBXAGGSA-N 2 2 257.378 0.210 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000662632997 414735612 /nfs/dbraw/zinc/73/56/12/414735612.db2.gz WXSBZEJQXQNOAM-ZDUSSCGKSA-N 3 2 270.421 0.114 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000662632997 414735613 /nfs/dbraw/zinc/73/56/13/414735613.db2.gz WXSBZEJQXQNOAM-ZDUSSCGKSA-N 3 2 270.421 0.114 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)[C@H](C)CO1 ZINC000662636087 414736022 /nfs/dbraw/zinc/73/60/22/414736022.db2.gz XTUIHJCDIONBOO-GBOPCIDUSA-N 2 2 295.427 0.742 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)[C@H](C)CO1 ZINC000662636087 414736023 /nfs/dbraw/zinc/73/60/23/414736023.db2.gz XTUIHJCDIONBOO-GBOPCIDUSA-N 2 2 295.427 0.742 20 0 CCADLP CC(C)([NH3+])c1cc(C(=O)NCCCn2cc[nH+]c2)on1 ZINC000662659140 414738329 /nfs/dbraw/zinc/73/83/29/414738329.db2.gz IBIXAQFPJJKXIV-UHFFFAOYSA-N 2 2 277.328 0.885 20 0 CCADLP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000662664131 414738860 /nfs/dbraw/zinc/73/88/60/414738860.db2.gz OMZNIBZACXSUBL-RYUDHWBXSA-N 2 2 274.324 0.314 20 0 CCADLP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000662682630 414740806 /nfs/dbraw/zinc/74/08/06/414740806.db2.gz MTEHURUAOGSRIY-ZAQGZADTSA-N 2 2 281.306 0.914 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC[C@H](CCF)C1 ZINC000662689330 414741456 /nfs/dbraw/zinc/74/14/56/414741456.db2.gz UMSIDAZRARRQCN-VXGBXAGGSA-N 2 2 259.369 0.864 20 0 CCADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000662694508 414742207 /nfs/dbraw/zinc/74/22/07/414742207.db2.gz RLDMJJSKWBGHHE-KBPBESRZSA-N 3 2 284.448 0.502 20 0 CCADLP C[C@H]1[NH2+]CC[C@H]1C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662703817 414743662 /nfs/dbraw/zinc/74/36/62/414743662.db2.gz OCSJAUDTEPRNSY-UKRRQHHQSA-N 2 2 295.427 0.555 20 0 CCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662703818 414743672 /nfs/dbraw/zinc/74/36/72/414743672.db2.gz OCSJAUDTEPRNSY-ZFWWWQNUSA-N 2 2 295.427 0.555 20 0 CCADLP Cc1cn2cc(NC(=O)[C@H]3CCO[C@H]3C[NH3+])ccc2[nH+]1 ZINC000662712393 414745319 /nfs/dbraw/zinc/74/53/19/414745319.db2.gz RVSWWVGDFZHXDG-RYUDHWBXSA-N 2 2 274.324 0.945 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662715850 414745582 /nfs/dbraw/zinc/74/55/82/414745582.db2.gz WRTIQBRAQGQPSL-UHFFFAOYSA-N 2 2 295.427 0.888 20 0 CCADLP [NH3+][C@H]1C[C@H](C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000662715459 414745760 /nfs/dbraw/zinc/74/57/60/414745760.db2.gz RNWGKKSLTDETHU-ZKCHVHJHSA-N 2 2 276.262 0.799 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662715464 414745767 /nfs/dbraw/zinc/74/57/67/414745767.db2.gz RRUXHZMGUCHMFS-LBPRGKRZSA-N 2 2 281.400 0.485 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662715464 414745768 /nfs/dbraw/zinc/74/57/68/414745768.db2.gz RRUXHZMGUCHMFS-LBPRGKRZSA-N 2 2 281.400 0.485 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662857103 414850149 /nfs/dbraw/zinc/85/01/49/414850149.db2.gz DQAUIYXYPBJNJW-UHFFFAOYSA-N 3 2 296.459 0.648 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662857103 414850156 /nfs/dbraw/zinc/85/01/56/414850156.db2.gz DQAUIYXYPBJNJW-UHFFFAOYSA-N 3 2 296.459 0.648 20 0 CCADLP [NH3+]C1(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CCCC1 ZINC000662865045 414854090 /nfs/dbraw/zinc/85/40/90/414854090.db2.gz YANVGLQBNCODGT-NSHDSACASA-N 2 2 262.357 0.833 20 0 CCADLP O=C([C@H]1CCCC[NH2+]1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662870286 414854289 /nfs/dbraw/zinc/85/42/89/414854289.db2.gz CEWQQMXARHJMFJ-QWHCGFSZSA-N 2 2 267.373 0.062 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662870902 414856170 /nfs/dbraw/zinc/85/61/70/414856170.db2.gz PHHRCTNWKQGXPR-ZDUSSCGKSA-N 2 2 283.416 0.685 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662870901 414856382 /nfs/dbraw/zinc/85/63/82/414856382.db2.gz PHHRCTNWKQGXPR-CYBMUJFWSA-N 2 2 283.416 0.685 20 0 CCADLP CN(C(=O)C1([NH3+])CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662901598 414882610 /nfs/dbraw/zinc/88/26/10/414882610.db2.gz WGCKBXQACJRAKC-CYBMUJFWSA-N 3 2 280.416 0.105 20 0 CCADLP CN(C(=O)C1([NH3+])CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662901598 414882614 /nfs/dbraw/zinc/88/26/14/414882614.db2.gz WGCKBXQACJRAKC-CYBMUJFWSA-N 3 2 280.416 0.105 20 0 CCADLP C[C@H](NC(=O)[C@@H]1[NH2+]CCC1(C)C)c1[nH+]ccn1C ZINC000662932712 414901451 /nfs/dbraw/zinc/90/14/51/414901451.db2.gz CYKMCPVZNVZAJX-UWVGGRQHSA-N 2 2 250.346 0.985 20 0 CCADLP CC(C)OC[C@H]([NH3+])C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000662934769 414903676 /nfs/dbraw/zinc/90/36/76/414903676.db2.gz QQUNWTUQCNTUEC-ZJUUUORDSA-N 2 2 254.334 0.350 20 0 CCADLP [NH3+][C@@H]1CN(c2cc(N3CCOCC3)[nH+]cn2)CC[C@H]1F ZINC000663276353 415033790 /nfs/dbraw/zinc/03/37/90/415033790.db2.gz TULIGLYLNIWZCQ-GHMZBOCLSA-N 2 2 281.335 0.189 20 0 CCADLP Cc1cc(CO)cc(N2CC[NH+]([C@@H]3CCOC3)CC2)[nH+]1 ZINC000663728212 415121128 /nfs/dbraw/zinc/12/11/28/415121128.db2.gz KLMBQGWQBOSIOB-CQSZACIVSA-N 2 2 277.368 0.793 20 0 CCADLP Cc1cc(CO)cc(N2CC[N@@H+](CCO)C[C@H]2C)[nH+]1 ZINC000663989077 415193335 /nfs/dbraw/zinc/19/33/35/415193335.db2.gz MMEKWSXATDPCNJ-GFCCVEGCSA-N 2 2 265.357 0.385 20 0 CCADLP Cc1cc(CO)cc(N2CC[N@H+](CCO)C[C@H]2C)[nH+]1 ZINC000663989077 415193340 /nfs/dbraw/zinc/19/33/40/415193340.db2.gz MMEKWSXATDPCNJ-GFCCVEGCSA-N 2 2 265.357 0.385 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC1=CCCOC1 ZINC000664903997 415485709 /nfs/dbraw/zinc/48/57/09/415485709.db2.gz OBUOITFHDWSGKR-UHFFFAOYSA-N 2 2 298.431 0.516 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC1=CCCOC1 ZINC000664903997 415485714 /nfs/dbraw/zinc/48/57/14/415485714.db2.gz OBUOITFHDWSGKR-UHFFFAOYSA-N 2 2 298.431 0.516 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NCc2ccccc2OC)C1 ZINC000071145985 176042256 /nfs/dbraw/zinc/04/22/56/176042256.db2.gz INKXXIDQJSIXNX-CYBMUJFWSA-N 2 2 291.395 0.853 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2OC)C1 ZINC000071145985 176042257 /nfs/dbraw/zinc/04/22/57/176042257.db2.gz INKXXIDQJSIXNX-CYBMUJFWSA-N 2 2 291.395 0.853 20 0 CCADLP O=C(NCC[NH+]1CCCC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000665532070 416449763 /nfs/dbraw/zinc/44/97/63/416449763.db2.gz ZLKCFEMMXOSXTF-NSHDSACASA-N 2 2 262.357 0.727 20 0 CCADLP O=C(NCC[NH+]1CCCC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000665532070 416449765 /nfs/dbraw/zinc/44/97/65/416449765.db2.gz ZLKCFEMMXOSXTF-NSHDSACASA-N 2 2 262.357 0.727 20 0 CCADLP C[C@H]1CC[N@H+](CCNC(=O)[C@H]([NH3+])c2cscn2)C1 ZINC000575185037 335077278 /nfs/dbraw/zinc/07/72/78/335077278.db2.gz KYVZXVPUTVXAMW-GXSJLCMTSA-N 2 2 268.386 0.601 20 0 CCADLP C[C@H]1CC[N@@H+](CCNC(=O)[C@H]([NH3+])c2cscn2)C1 ZINC000575185037 335077280 /nfs/dbraw/zinc/07/72/80/335077280.db2.gz KYVZXVPUTVXAMW-GXSJLCMTSA-N 2 2 268.386 0.601 20 0 CCADLP C[C@H]1CC[N@H+](CCNC(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000575185040 335077465 /nfs/dbraw/zinc/07/74/65/335077465.db2.gz KYVZXVPUTVXAMW-ONGXEEELSA-N 2 2 268.386 0.601 20 0 CCADLP C[C@H]1CC[N@@H+](CCNC(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000575185040 335077466 /nfs/dbraw/zinc/07/74/66/335077466.db2.gz KYVZXVPUTVXAMW-ONGXEEELSA-N 2 2 268.386 0.601 20 0 CCADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000134237258 544628920 /nfs/dbraw/zinc/62/89/20/544628920.db2.gz UKSHLWBRHPLBNF-GFCCVEGCSA-N 2 2 283.397 0.518 20 0 CCADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000134237258 544628926 /nfs/dbraw/zinc/62/89/26/544628926.db2.gz UKSHLWBRHPLBNF-GFCCVEGCSA-N 2 2 283.397 0.518 20 0 CCADLP CC[NH+]1CCN(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000152497881 544659300 /nfs/dbraw/zinc/65/93/00/544659300.db2.gz GHYDEUPQSTVIIF-CHWSQXEVSA-N 2 2 284.404 0.053 20 0 CCADLP CC[NH+]1CCN(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000152497881 544659303 /nfs/dbraw/zinc/65/93/03/544659303.db2.gz GHYDEUPQSTVIIF-CHWSQXEVSA-N 2 2 284.404 0.053 20 0 CCADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000226033069 544827849 /nfs/dbraw/zinc/82/78/49/544827849.db2.gz HQVPJBVIOVQWQO-STQMWFEESA-N 2 2 298.431 0.030 20 0 CCADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000226033069 544827852 /nfs/dbraw/zinc/82/78/52/544827852.db2.gz HQVPJBVIOVQWQO-STQMWFEESA-N 2 2 298.431 0.030 20 0 CCADLP Cn1nc(C[NH2+]C[C@](C)(O)C[NH+](C)C)c2ccccc21 ZINC000228723404 544844355 /nfs/dbraw/zinc/84/43/55/544844355.db2.gz GADSIVKCYXHXMO-HNNXBMFYSA-N 2 2 276.384 0.976 20 0 CCADLP Cc1cnccc1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000228672914 544844803 /nfs/dbraw/zinc/84/48/03/544844803.db2.gz BWIWEQJQRPGXPE-UHFFFAOYSA-N 2 2 262.357 0.254 20 0 CCADLP COc1cc[nH+]c(CN2CCO[C@@H]([C@@H](C)[NH3+])C2)c1OC ZINC000232198093 544863034 /nfs/dbraw/zinc/86/30/34/544863034.db2.gz NSGWRZXWGFHDLX-ZWNOBZJWSA-N 2 2 281.356 0.647 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252413802 544929895 /nfs/dbraw/zinc/92/98/95/544929895.db2.gz FPGPDCLCKYVMGZ-RRFJBIMHSA-N 2 2 297.443 0.992 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252413802 544929900 /nfs/dbraw/zinc/92/99/00/544929900.db2.gz FPGPDCLCKYVMGZ-RRFJBIMHSA-N 2 2 297.443 0.992 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]([NH3+])c2ccc(F)cc2F)CC1 ZINC000257701985 544934539 /nfs/dbraw/zinc/93/45/39/544934539.db2.gz OUIWCLKLSGBTMK-LBPRGKRZSA-N 2 2 269.295 0.739 20 0 CCADLP C[N@H+](CCC[NH3+])Cc1ccc(S(C)(=O)=O)cc1 ZINC000258732743 544934597 /nfs/dbraw/zinc/93/45/97/544934597.db2.gz KENQTFKYRBTRSK-UHFFFAOYSA-N 2 2 256.371 0.871 20 0 CCADLP C[N@@H+](CCC[NH3+])Cc1ccc(S(C)(=O)=O)cc1 ZINC000258732743 544934601 /nfs/dbraw/zinc/93/46/01/544934601.db2.gz KENQTFKYRBTRSK-UHFFFAOYSA-N 2 2 256.371 0.871 20 0 CCADLP C[C@H](C(=O)NCc1c[nH+]cn1C)[NH+]1CCSCC1 ZINC000291343041 544971246 /nfs/dbraw/zinc/97/12/46/544971246.db2.gz WTDRLMATYANFEB-SNVBAGLBSA-N 2 2 268.386 0.474 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC000351970806 545069192 /nfs/dbraw/zinc/06/91/92/545069192.db2.gz JNRRKULZUIQDMC-GFCCVEGCSA-N 2 2 250.346 0.799 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC000351970806 545069193 /nfs/dbraw/zinc/06/91/93/545069193.db2.gz JNRRKULZUIQDMC-GFCCVEGCSA-N 2 2 250.346 0.799 20 0 CCADLP Cc1cn[nH]c1C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000352853787 545070506 /nfs/dbraw/zinc/07/05/06/545070506.db2.gz OPAWOYLPIMFHFD-UHFFFAOYSA-N 2 2 293.415 0.750 20 0 CCADLP Cc1c[nH]nc1C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000352853787 545070508 /nfs/dbraw/zinc/07/05/08/545070508.db2.gz OPAWOYLPIMFHFD-UHFFFAOYSA-N 2 2 293.415 0.750 20 0 CCADLP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ncc[nH]1 ZINC000353504783 545071382 /nfs/dbraw/zinc/07/13/82/545071382.db2.gz SZRAHJUEOFIHKE-NWDGAFQWSA-N 2 2 251.378 0.696 20 0 CCADLP [NH3+][C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C1CC1 ZINC000521412107 262315597 /nfs/dbraw/zinc/31/55/97/262315597.db2.gz ADBFOSMDXALICK-ZIAGYGMSSA-N 2 2 296.415 0.230 20 0 CCADLP CCOC(C)(C)CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000519120157 265326530 /nfs/dbraw/zinc/32/65/30/265326530.db2.gz UWJZUKLNCVKROZ-NSHDSACASA-N 2 2 272.393 0.086 20 0 CCADLP CCOC(C)(C)CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000519120157 265326532 /nfs/dbraw/zinc/32/65/32/265326532.db2.gz UWJZUKLNCVKROZ-NSHDSACASA-N 2 2 272.393 0.086 20 0 CCADLP CCC[C@H]1C(=O)NCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000328692373 276046839 /nfs/dbraw/zinc/04/68/39/276046839.db2.gz RPSVAVAMSXZXCG-ZDUSSCGKSA-N 2 2 296.415 0.591 20 0 CCADLP CCC[C@H]1C(=O)NCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000328692373 276046840 /nfs/dbraw/zinc/04/68/40/276046840.db2.gz RPSVAVAMSXZXCG-ZDUSSCGKSA-N 2 2 296.415 0.591 20 0 CCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@H]1COCC[NH2+]1)C2 ZINC000168404980 276065711 /nfs/dbraw/zinc/06/57/11/276065711.db2.gz CEIMNDCHOUPFBI-GFCCVEGCSA-N 2 2 292.383 0.417 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)[C@@H](C)C1 ZINC000367714530 276191709 /nfs/dbraw/zinc/19/17/09/276191709.db2.gz CIWGEGWRYIZZEI-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)[C@@H](C)C1 ZINC000367714530 276191710 /nfs/dbraw/zinc/19/17/10/276191710.db2.gz CIWGEGWRYIZZEI-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)Cc2[nH+]ccn2C)C1 ZINC000350918636 276204800 /nfs/dbraw/zinc/20/48/00/276204800.db2.gz MPZUCIYBMTYSJA-LLVKDONJSA-N 2 2 266.345 0.099 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)Cc2[nH+]ccn2C)C1 ZINC000350918636 276204802 /nfs/dbraw/zinc/20/48/02/276204802.db2.gz MPZUCIYBMTYSJA-LLVKDONJSA-N 2 2 266.345 0.099 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCN(C)C(=O)C2)C1 ZINC000424185760 276251657 /nfs/dbraw/zinc/25/16/57/276251657.db2.gz HIAOWKSPUZIMAN-YNEHKIRRSA-N 2 2 253.390 0.785 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCN(C)C(=O)C2)C1 ZINC000424185760 276251659 /nfs/dbraw/zinc/25/16/59/276251659.db2.gz HIAOWKSPUZIMAN-YNEHKIRRSA-N 2 2 253.390 0.785 20 0 CCADLP CCNC(=O)NC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420362363 276260675 /nfs/dbraw/zinc/26/06/75/276260675.db2.gz OBBSIDXTRMVPRY-LLVKDONJSA-N 2 2 270.377 0.329 20 0 CCADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@]1(C)CCC(=O)N1 ZINC000453585588 276892564 /nfs/dbraw/zinc/89/25/64/276892564.db2.gz GZOKNYVUJXGBOU-AWEZNQCLSA-N 2 2 262.357 0.906 20 0 CCADLP CC(=O)NC[C@H]1CCC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000331139357 277036864 /nfs/dbraw/zinc/03/68/64/277036864.db2.gz QVCJDMDDSQKDLZ-CYBMUJFWSA-N 2 2 293.415 0.834 20 0 CCADLP CC(=O)NC[C@H]1CCC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000331139357 277036865 /nfs/dbraw/zinc/03/68/65/277036865.db2.gz QVCJDMDDSQKDLZ-CYBMUJFWSA-N 2 2 293.415 0.834 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000353132841 277044837 /nfs/dbraw/zinc/04/48/37/277044837.db2.gz DBSGMGLHTRVGDT-BFHYXJOUSA-N 2 2 286.441 0.980 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000353132841 277044838 /nfs/dbraw/zinc/04/48/38/277044838.db2.gz DBSGMGLHTRVGDT-BFHYXJOUSA-N 2 2 286.441 0.980 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000353132841 277044839 /nfs/dbraw/zinc/04/48/39/277044839.db2.gz DBSGMGLHTRVGDT-BFHYXJOUSA-N 2 2 286.441 0.980 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000353132841 277044840 /nfs/dbraw/zinc/04/48/40/277044840.db2.gz DBSGMGLHTRVGDT-BFHYXJOUSA-N 2 2 286.441 0.980 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000356982557 277055353 /nfs/dbraw/zinc/05/53/53/277055353.db2.gz VDJVKWLAFJUIBC-HUUCEWRRSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000356982557 277055354 /nfs/dbraw/zinc/05/53/54/277055354.db2.gz VDJVKWLAFJUIBC-HUUCEWRRSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000337583783 277075784 /nfs/dbraw/zinc/07/57/84/277075784.db2.gz JYTQECRFOMGNPH-KGLIPLIRSA-N 2 2 274.368 0.649 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000337583783 277075786 /nfs/dbraw/zinc/07/57/86/277075786.db2.gz JYTQECRFOMGNPH-KGLIPLIRSA-N 2 2 274.368 0.649 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000354203552 277102727 /nfs/dbraw/zinc/10/27/27/277102727.db2.gz CBOYDVKHRNTKAN-OLZOCXBDSA-N 2 2 291.399 0.123 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000354203552 277102728 /nfs/dbraw/zinc/10/27/28/277102728.db2.gz CBOYDVKHRNTKAN-OLZOCXBDSA-N 2 2 291.399 0.123 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423040717 277184140 /nfs/dbraw/zinc/18/41/40/277184140.db2.gz UWUYZGGMXAMAJK-JJXSEGSLSA-N 3 2 281.444 0.953 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423040717 277184141 /nfs/dbraw/zinc/18/41/41/277184141.db2.gz UWUYZGGMXAMAJK-JJXSEGSLSA-N 3 2 281.444 0.953 20 0 CCADLP C[N@@H+]1CCc2ncnc(N3CCN(c4[nH]cc[nH+]4)CC3)c2C1 ZINC000328832239 277189900 /nfs/dbraw/zinc/18/99/00/277189900.db2.gz VJTXHOJLXMFFFI-UHFFFAOYSA-N 2 2 299.382 0.514 20 0 CCADLP C[N@H+]1CCc2ncnc(N3CCN(c4[nH]cc[nH+]4)CC3)c2C1 ZINC000328832239 277189901 /nfs/dbraw/zinc/18/99/01/277189901.db2.gz VJTXHOJLXMFFFI-UHFFFAOYSA-N 2 2 299.382 0.514 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000430778248 277517689 /nfs/dbraw/zinc/51/76/89/277517689.db2.gz PYHYNABDWJZYCZ-CYBMUJFWSA-N 2 2 294.399 0.924 20 0 CCADLP C[C@@H]1[C@H](C)C[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@H]1C ZINC000419394072 278090171 /nfs/dbraw/zinc/09/01/71/278090171.db2.gz OKHIUHVPAGUTPW-UPJWGTAASA-N 2 2 253.390 0.737 20 0 CCADLP C[C@@H]1[C@H](C)C[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@H]1C ZINC000419394072 278090174 /nfs/dbraw/zinc/09/01/74/278090174.db2.gz OKHIUHVPAGUTPW-UPJWGTAASA-N 2 2 253.390 0.737 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372807927 278229293 /nfs/dbraw/zinc/22/92/93/278229293.db2.gz SCVOGMMIMILOEI-AVGNSLFASA-N 3 2 282.432 0.254 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372807927 278229294 /nfs/dbraw/zinc/22/92/94/278229294.db2.gz SCVOGMMIMILOEI-AVGNSLFASA-N 3 2 282.432 0.254 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000422743758 278257895 /nfs/dbraw/zinc/25/78/95/278257895.db2.gz RTZRWQAKHOQBNN-IHRRRGAJSA-N 3 2 282.432 0.304 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000422743758 278257896 /nfs/dbraw/zinc/25/78/96/278257896.db2.gz RTZRWQAKHOQBNN-IHRRRGAJSA-N 3 2 282.432 0.304 20 0 CCADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(=O)[nH]n1 ZINC000330611430 278260715 /nfs/dbraw/zinc/26/07/15/278260715.db2.gz OXMFLWCBGSXUDB-QWHCGFSZSA-N 2 2 294.399 0.926 20 0 CCADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cn[nH]c1 ZINC000340476113 278263260 /nfs/dbraw/zinc/26/32/60/278263260.db2.gz SXGKNAGIZLBMFB-AAEUAGOBSA-N 2 2 252.362 0.907 20 0 CCADLP CC1(C)CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC[NH2+]1 ZINC000423713768 278318298 /nfs/dbraw/zinc/31/82/98/278318298.db2.gz WITHJBLYWIXSPS-CQSZACIVSA-N 2 2 295.427 0.840 20 0 CCADLP CC1(C)CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC[NH2+]1 ZINC000423713768 278318300 /nfs/dbraw/zinc/31/83/00/278318300.db2.gz WITHJBLYWIXSPS-CQSZACIVSA-N 2 2 295.427 0.840 20 0 CCADLP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000414657962 278369540 /nfs/dbraw/zinc/36/95/40/278369540.db2.gz PMFKKNDFWAMQRM-AWEZNQCLSA-N 3 2 296.459 0.518 20 0 CCADLP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000414657962 278369542 /nfs/dbraw/zinc/36/95/42/278369542.db2.gz PMFKKNDFWAMQRM-AWEZNQCLSA-N 3 2 296.459 0.518 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423404626 288090549 /nfs/dbraw/zinc/09/05/49/288090549.db2.gz ZXWGGRWXWAYMSX-GRYCIOLGSA-N 3 2 294.365 0.362 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423404626 288090553 /nfs/dbraw/zinc/09/05/53/288090553.db2.gz ZXWGGRWXWAYMSX-GRYCIOLGSA-N 3 2 294.365 0.362 20 0 CCADLP CC(C)C[C@@H]1C(=O)NCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261966137 279011854 /nfs/dbraw/zinc/01/18/54/279011854.db2.gz HVEKRVXHHZMFCI-OCCSQVGLSA-N 2 2 253.390 0.833 20 0 CCADLP CC(C)C[C@@H]1C(=O)NCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261966137 279011857 /nfs/dbraw/zinc/01/18/57/279011857.db2.gz HVEKRVXHHZMFCI-OCCSQVGLSA-N 2 2 253.390 0.833 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000417024391 279140387 /nfs/dbraw/zinc/14/03/87/279140387.db2.gz KXELNFSZSOEVEV-CHWSQXEVSA-N 2 2 286.420 0.380 20 0 CCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)C1 ZINC000437192749 279151077 /nfs/dbraw/zinc/15/10/77/279151077.db2.gz FHFHFSDFPONMCW-LSDHHAIUSA-N 2 2 296.459 0.565 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000178745096 279177212 /nfs/dbraw/zinc/17/72/12/279177212.db2.gz AKHNKLNIZVSUHO-LBPRGKRZSA-N 2 2 271.405 0.587 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000178745096 279177213 /nfs/dbraw/zinc/17/72/13/279177213.db2.gz AKHNKLNIZVSUHO-LBPRGKRZSA-N 2 2 271.405 0.587 20 0 CCADLP CC[N@@H+]1CCC[C@@H](CNC(=O)NCCn2cc[nH+]c2)C1 ZINC000332551117 279292591 /nfs/dbraw/zinc/29/25/91/279292591.db2.gz KILVLZQQUUYSIE-ZDUSSCGKSA-N 2 2 279.388 0.914 20 0 CCADLP CC[N@H+]1CCC[C@@H](CNC(=O)NCCn2cc[nH+]c2)C1 ZINC000332551117 279292592 /nfs/dbraw/zinc/29/25/92/279292592.db2.gz KILVLZQQUUYSIE-ZDUSSCGKSA-N 2 2 279.388 0.914 20 0 CCADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)CCC[NH2+]C)C2)CC1 ZINC000514861131 279366916 /nfs/dbraw/zinc/36/69/16/279366916.db2.gz XHLKJHVSKVCGLF-CQSZACIVSA-N 2 2 282.432 0.224 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000458214389 279379463 /nfs/dbraw/zinc/37/94/63/279379463.db2.gz MPUPSHYKRCZWSW-ZIAGYGMSSA-N 2 2 283.416 0.555 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000458214389 279379464 /nfs/dbraw/zinc/37/94/64/279379464.db2.gz MPUPSHYKRCZWSW-ZIAGYGMSSA-N 2 2 283.416 0.555 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458214389 279379465 /nfs/dbraw/zinc/37/94/65/279379465.db2.gz MPUPSHYKRCZWSW-ZIAGYGMSSA-N 2 2 283.416 0.555 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000458214389 279379467 /nfs/dbraw/zinc/37/94/67/279379467.db2.gz MPUPSHYKRCZWSW-ZIAGYGMSSA-N 2 2 283.416 0.555 20 0 CCADLP CC(C)[C@@H](C[NH3+])C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000433163294 279833930 /nfs/dbraw/zinc/83/39/30/279833930.db2.gz XLIOLRXUIABVNE-LSDHHAIUSA-N 2 2 297.443 0.931 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000423878487 280235787 /nfs/dbraw/zinc/23/57/87/280235787.db2.gz URCYIISAJUBEHU-QWHCGFSZSA-N 2 2 293.415 0.466 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000433162051 280236278 /nfs/dbraw/zinc/23/62/78/280236278.db2.gz LITWKGKITDAYKG-LBPRGKRZSA-N 2 2 271.405 0.444 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000433162051 280236282 /nfs/dbraw/zinc/23/62/82/280236282.db2.gz LITWKGKITDAYKG-LBPRGKRZSA-N 2 2 271.405 0.444 20 0 CCADLP C[C@@H]1C[N@@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)CC[C@H]1[NH3+] ZINC000430947317 288250255 /nfs/dbraw/zinc/25/02/55/288250255.db2.gz APUIROHYKVSMLC-RAIGVLPGSA-N 2 2 277.372 0.195 20 0 CCADLP C[C@@H]1C[N@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)CC[C@H]1[NH3+] ZINC000430947317 288250259 /nfs/dbraw/zinc/25/02/59/288250259.db2.gz APUIROHYKVSMLC-RAIGVLPGSA-N 2 2 277.372 0.195 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000375247629 282051593 /nfs/dbraw/zinc/05/15/93/282051593.db2.gz ARRAIWFSFBIDDB-GDBMZVCRSA-N 3 2 294.443 0.128 20 0 CCADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000426767606 289047277 /nfs/dbraw/zinc/04/72/77/289047277.db2.gz OOQAFNFAMQOIAO-KBUPBQIOSA-N 2 2 295.427 0.506 20 0 CCADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000426767606 289047279 /nfs/dbraw/zinc/04/72/79/289047279.db2.gz OOQAFNFAMQOIAO-KBUPBQIOSA-N 2 2 295.427 0.506 20 0 CCADLP CN(C)[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)c1c[nH+]cn1C ZINC000422039810 289270472 /nfs/dbraw/zinc/27/04/72/289270472.db2.gz RRCYWAHDKJJGEY-GXTWGEPZSA-N 2 2 293.415 0.575 20 0 CCADLP CN(C)[C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+]1C)c1c[nH+]cn1C ZINC000422039810 289270476 /nfs/dbraw/zinc/27/04/76/289270476.db2.gz RRCYWAHDKJJGEY-GXTWGEPZSA-N 2 2 293.415 0.575 20 0 CCADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1CC(=O)N(C)C1 ZINC000422961594 289773465 /nfs/dbraw/zinc/77/34/65/289773465.db2.gz ZKSCSGTWLWTEOF-FPMFFAJLSA-N 2 2 261.369 0.765 20 0 CCADLP C[C@H]([NH2+][C@@H]1C[C@@H]2CCCCN2C1=O)[C@H]1CCC[NH2+]1 ZINC000423159179 290030356 /nfs/dbraw/zinc/03/03/56/290030356.db2.gz FLQPEUBDYKLUHJ-WUHRBBMRSA-N 2 2 251.374 0.870 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]CCS(C)(=O)=O)[C@@H]2CCC[C@@H]21 ZINC000367639892 290218968 /nfs/dbraw/zinc/21/89/68/290218968.db2.gz XKGHMNMGPRVRNX-SRVKXCTJSA-N 2 2 260.403 0.493 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]CCS(C)(=O)=O)[C@@H]2CCC[C@@H]21 ZINC000367639892 290218973 /nfs/dbraw/zinc/21/89/73/290218973.db2.gz XKGHMNMGPRVRNX-SRVKXCTJSA-N 2 2 260.403 0.493 20 0 CCADLP C[N@@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@H]2C1 ZINC000272391927 290228161 /nfs/dbraw/zinc/22/81/61/290228161.db2.gz CXPHELFGPXAPLC-STQMWFEESA-N 2 2 262.357 0.826 20 0 CCADLP C[N@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@H]2C1 ZINC000272391927 290228164 /nfs/dbraw/zinc/22/81/64/290228164.db2.gz CXPHELFGPXAPLC-STQMWFEESA-N 2 2 262.357 0.826 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000262093916 297022068 /nfs/dbraw/zinc/02/20/68/297022068.db2.gz VABRVZAOVJADCU-ZACQAIPSSA-N 3 2 294.487 0.944 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000262093916 297022070 /nfs/dbraw/zinc/02/20/70/297022070.db2.gz VABRVZAOVJADCU-ZACQAIPSSA-N 3 2 294.487 0.944 20 0 CCADLP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000358738654 294318957 /nfs/dbraw/zinc/31/89/57/294318957.db2.gz AYBUNTVWGGOHIP-JSGCOSHPSA-N 2 2 277.416 0.633 20 0 CCADLP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000358738654 294318962 /nfs/dbraw/zinc/31/89/62/294318962.db2.gz AYBUNTVWGGOHIP-JSGCOSHPSA-N 2 2 277.416 0.633 20 0 CCADLP CCO[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000385801525 545085707 /nfs/dbraw/zinc/08/57/07/545085707.db2.gz HKMYTTPZKRVCGR-KGLIPLIRSA-N 2 2 256.390 0.942 20 0 CCADLP CCO[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000385801525 545085708 /nfs/dbraw/zinc/08/57/08/545085708.db2.gz HKMYTTPZKRVCGR-KGLIPLIRSA-N 2 2 256.390 0.942 20 0 CCADLP CCO[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000385801525 545085709 /nfs/dbraw/zinc/08/57/09/545085709.db2.gz HKMYTTPZKRVCGR-KGLIPLIRSA-N 2 2 256.390 0.942 20 0 CCADLP CCO[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000385801525 545085710 /nfs/dbraw/zinc/08/57/10/545085710.db2.gz HKMYTTPZKRVCGR-KGLIPLIRSA-N 2 2 256.390 0.942 20 0 CCADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC000389202983 545086742 /nfs/dbraw/zinc/08/67/42/545086742.db2.gz ZCPJMLKZDMZPPZ-CHWSQXEVSA-N 2 2 252.362 0.318 20 0 CCADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC000389202983 545086743 /nfs/dbraw/zinc/08/67/43/545086743.db2.gz ZCPJMLKZDMZPPZ-CHWSQXEVSA-N 2 2 252.362 0.318 20 0 CCADLP Cn1ncnc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000389395807 545086900 /nfs/dbraw/zinc/08/69/00/545086900.db2.gz ZOUQKVSELWEMIB-UHFFFAOYSA-N 2 2 272.356 0.969 20 0 CCADLP CC(C)([NH3+])CCC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394371301 545088092 /nfs/dbraw/zinc/08/80/92/545088092.db2.gz GKNBHXKJFBWWLI-LBPRGKRZSA-N 2 2 268.405 0.010 20 0 CCADLP CC(C)([NH3+])CCC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000394371301 545088093 /nfs/dbraw/zinc/08/80/93/545088093.db2.gz GKNBHXKJFBWWLI-LBPRGKRZSA-N 2 2 268.405 0.010 20 0 CCADLP C[C@H](C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000429136060 298029108 /nfs/dbraw/zinc/02/91/08/298029108.db2.gz PLCIAKUQBNVYIM-UPJWGTAASA-N 2 2 269.389 0.293 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000427288104 300346120 /nfs/dbraw/zinc/34/61/20/300346120.db2.gz NWWHARHVZCHMEB-UONOGXRCSA-N 2 2 283.416 0.603 20 0 CCADLP CO[C@]1(CO)CCC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000401967953 545090900 /nfs/dbraw/zinc/09/09/00/545090900.db2.gz HMUURRDRZAHYOO-CQSZACIVSA-N 2 2 267.373 0.826 20 0 CCADLP CO[C@]1(CO)CCC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000401967953 545090901 /nfs/dbraw/zinc/09/09/01/545090901.db2.gz HMUURRDRZAHYOO-CQSZACIVSA-N 2 2 267.373 0.826 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000364950456 303329877 /nfs/dbraw/zinc/32/98/77/303329877.db2.gz OVUCUAUZILJPMA-HUUCEWRRSA-N 2 2 295.427 0.970 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000364950456 303329879 /nfs/dbraw/zinc/32/98/79/303329879.db2.gz OVUCUAUZILJPMA-HUUCEWRRSA-N 2 2 295.427 0.970 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]Cc2ccoc2)C[C@@H](C)O1 ZINC000580184498 327724510 /nfs/dbraw/zinc/72/45/10/327724510.db2.gz FBCUERPCPJTSRA-BZPMIXESSA-N 2 2 268.357 0.839 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3ccc(F)cc3)CCN2C1=O ZINC000575763716 328123727 /nfs/dbraw/zinc/12/37/27/328123727.db2.gz YRTRDDZDLKNXMY-OLZOCXBDSA-N 2 2 263.316 0.570 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3ccc(F)cc3)CCN2C1=O ZINC000575763716 328123728 /nfs/dbraw/zinc/12/37/28/328123728.db2.gz YRTRDDZDLKNXMY-OLZOCXBDSA-N 2 2 263.316 0.570 20 0 CCADLP COc1nccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)n1 ZINC000395114965 329276401 /nfs/dbraw/zinc/27/64/01/329276401.db2.gz FQEYBXQTPBLCRN-LLVKDONJSA-N 2 2 250.346 0.917 20 0 CCADLP COc1nccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)n1 ZINC000395114965 329276402 /nfs/dbraw/zinc/27/64/02/329276402.db2.gz FQEYBXQTPBLCRN-LLVKDONJSA-N 2 2 250.346 0.917 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]C[C@@H]2CCC[C@H]2O)C[C@@H](C)O1 ZINC000584232098 327070953 /nfs/dbraw/zinc/07/09/53/327070953.db2.gz DNZQLAMAHZXNPZ-NIFZNCRKSA-N 2 2 286.416 0.207 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000583389703 327339603 /nfs/dbraw/zinc/33/96/03/327339603.db2.gz VCAPSAHDWLVUOT-SDDRHHMPSA-N 2 2 298.349 0.792 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000583389703 327339604 /nfs/dbraw/zinc/33/96/04/327339604.db2.gz VCAPSAHDWLVUOT-SDDRHHMPSA-N 2 2 298.349 0.792 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000583389703 327339606 /nfs/dbraw/zinc/33/96/06/327339606.db2.gz VCAPSAHDWLVUOT-SDDRHHMPSA-N 2 2 298.349 0.792 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000583389703 327339608 /nfs/dbraw/zinc/33/96/08/327339608.db2.gz VCAPSAHDWLVUOT-SDDRHHMPSA-N 2 2 298.349 0.792 20 0 CCADLP Cn1cc[nH+]c1CN1CCN(C(=O)C(C)(C)C[NH3+])CC1 ZINC000574873661 327389856 /nfs/dbraw/zinc/38/98/56/327389856.db2.gz GJWYWYPHMZQKHO-UHFFFAOYSA-N 2 2 279.388 0.049 20 0 CCADLP CNC(=O)Cc1nc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cs1 ZINC000582184083 328619021 /nfs/dbraw/zinc/61/90/21/328619021.db2.gz LHPUFUGALUYPGY-NSHDSACASA-N 2 2 296.440 0.909 20 0 CCADLP CC(C)n1nccc1CN1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000394585961 329127506 /nfs/dbraw/zinc/12/75/06/329127506.db2.gz BUSRWTPWNULIME-ZDUSSCGKSA-N 2 2 251.378 0.539 20 0 CCADLP CC(C)n1nccc1CN1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000394585961 329127508 /nfs/dbraw/zinc/12/75/08/329127508.db2.gz BUSRWTPWNULIME-ZDUSSCGKSA-N 2 2 251.378 0.539 20 0 CCADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1cccc(F)c1F ZINC000582713722 329129335 /nfs/dbraw/zinc/12/93/35/329129335.db2.gz ORZDVDADGCKAMK-NSHDSACASA-N 2 2 255.312 0.958 20 0 CCADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000580421625 330129096 /nfs/dbraw/zinc/12/90/96/330129096.db2.gz MUXOEBKCOYHNRF-NWDGAFQWSA-N 2 2 274.430 0.931 20 0 CCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC000580435065 330133470 /nfs/dbraw/zinc/13/34/70/330133470.db2.gz YJGWVJMSXFTAPC-VNHYZAJKSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC000580435065 330133471 /nfs/dbraw/zinc/13/34/71/330133471.db2.gz YJGWVJMSXFTAPC-VNHYZAJKSA-N 2 2 288.395 0.998 20 0 CCADLP COC[C@H](C)C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000575741932 335110686 /nfs/dbraw/zinc/11/06/86/335110686.db2.gz XTLOPIMASHGGTP-YIYPIFLZSA-N 2 2 274.405 0.329 20 0 CCADLP COC[C@H](C)C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000575741932 335110687 /nfs/dbraw/zinc/11/06/87/335110687.db2.gz XTLOPIMASHGGTP-YIYPIFLZSA-N 2 2 274.405 0.329 20 0 CCADLP O=C(NCc1ccn2cc[nH+]c2c1)NC[C@H]1CCC[NH2+]1 ZINC000575853214 335123877 /nfs/dbraw/zinc/12/38/77/335123877.db2.gz JTRBRPLXBAZFCK-GFCCVEGCSA-N 2 2 273.340 0.886 20 0 CCADLP CN(CCC[NH+](C)C)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000543012608 333853023 /nfs/dbraw/zinc/85/30/23/333853023.db2.gz SUEFMVBAMBQPKW-UHFFFAOYSA-N 2 2 283.416 0.651 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC(F)(F)F)CC1 ZINC000175262098 335178374 /nfs/dbraw/zinc/17/83/74/335178374.db2.gz DPVBEEWXHACQIZ-UHFFFAOYSA-N 2 2 296.337 0.874 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1C ZINC000553463583 334386494 /nfs/dbraw/zinc/38/64/94/334386494.db2.gz YFZTXWIJTZFGIE-CQSZACIVSA-N 2 2 297.443 0.897 20 0 CCADLP COCC[N@H+]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C[C@H]1C ZINC000553463583 334386495 /nfs/dbraw/zinc/38/64/95/334386495.db2.gz YFZTXWIJTZFGIE-CQSZACIVSA-N 2 2 297.443 0.897 20 0 CCADLP COCC[NH+]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000553463583 334386496 /nfs/dbraw/zinc/38/64/96/334386496.db2.gz YFZTXWIJTZFGIE-CQSZACIVSA-N 2 2 297.443 0.897 20 0 CCADLP COCC[NH+]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000553463583 334386497 /nfs/dbraw/zinc/38/64/97/334386497.db2.gz YFZTXWIJTZFGIE-CQSZACIVSA-N 2 2 297.443 0.897 20 0 CCADLP C[NH+](C)[C@H]1CN(Cc2[nH+]ccn2CC(F)(F)F)C[C@@H]1O ZINC000565724166 334591885 /nfs/dbraw/zinc/59/18/85/334591885.db2.gz MFOKDYJLYQIGST-UWVGGRQHSA-N 2 2 292.305 0.552 20 0 CCADLP O=C(C[C@H]1CSCC[NH2+]1)NCCNc1cccc[nH+]1 ZINC000565888905 334606061 /nfs/dbraw/zinc/60/60/61/334606061.db2.gz IEGLFRRJPRRQQZ-NSHDSACASA-N 2 2 280.397 0.705 20 0 CCADLP C[NH+](C)C[C@H]1CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000333009059 334846303 /nfs/dbraw/zinc/84/63/03/334846303.db2.gz TVGYNTUVAQTOKJ-OLZOCXBDSA-N 2 2 291.399 0.791 20 0 CCADLP CC[NH2+]CCCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000572976984 334897054 /nfs/dbraw/zinc/89/70/54/334897054.db2.gz USOAQBUSPQALCF-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP Cc1cc[nH+]c(N2CC[NH+](CC3(CO)COC3)CC2)c1 ZINC000166267566 334912450 /nfs/dbraw/zinc/91/24/50/334912450.db2.gz NTRZGBXGRQVELV-UHFFFAOYSA-N 2 2 277.368 0.521 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)NCC[C@H]2CCC[NH2+]2)CCO1 ZINC000576491999 335211169 /nfs/dbraw/zinc/21/11/69/335211169.db2.gz JBLKRBMRUKSFJC-CYBMUJFWSA-N 2 2 298.431 0.539 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)NCC[C@H]2CCC[NH2+]2)CCO1 ZINC000576491999 335211170 /nfs/dbraw/zinc/21/11/70/335211170.db2.gz JBLKRBMRUKSFJC-CYBMUJFWSA-N 2 2 298.431 0.539 20 0 CCADLP CSC1(C[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000576697823 335236064 /nfs/dbraw/zinc/23/60/64/335236064.db2.gz MHLODGIMLISTHF-AVGNSLFASA-N 2 2 288.457 0.942 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C)CC1 ZINC000576759097 335244681 /nfs/dbraw/zinc/24/46/81/335244681.db2.gz RZFZSPVCNFKUPS-ZDUSSCGKSA-N 3 2 284.448 0.550 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)CC12CCC2 ZINC000576954903 335269440 /nfs/dbraw/zinc/26/94/40/335269440.db2.gz RQAZGURIXPVCFZ-KGLIPLIRSA-N 2 2 286.416 0.305 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)CC12CCC2 ZINC000576954903 335269441 /nfs/dbraw/zinc/26/94/41/335269441.db2.gz RQAZGURIXPVCFZ-KGLIPLIRSA-N 2 2 286.416 0.305 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000576954903 335269442 /nfs/dbraw/zinc/26/94/42/335269442.db2.gz RQAZGURIXPVCFZ-KGLIPLIRSA-N 2 2 286.416 0.305 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000576954903 335269443 /nfs/dbraw/zinc/26/94/43/335269443.db2.gz RQAZGURIXPVCFZ-KGLIPLIRSA-N 2 2 286.416 0.305 20 0 CCADLP COCC[NH+]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000576955348 335269461 /nfs/dbraw/zinc/26/94/61/335269461.db2.gz BRCDTFXERYLIBX-UHFFFAOYSA-N 2 2 283.416 0.509 20 0 CCADLP COCC[NH+]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000576955348 335269462 /nfs/dbraw/zinc/26/94/62/335269462.db2.gz BRCDTFXERYLIBX-UHFFFAOYSA-N 2 2 283.416 0.509 20 0 CCADLP C[N@H+](C[C@H](O)CNCc1cn2ccccc2[nH+]1)C1CC1 ZINC000580543388 335270196 /nfs/dbraw/zinc/27/01/96/335270196.db2.gz DRVOMZIVLONEKG-CQSZACIVSA-N 2 2 274.368 0.879 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCN(C)C(=O)C2)CC1 ZINC000192745154 335299052 /nfs/dbraw/zinc/29/90/52/335299052.db2.gz PEQMDACOALTVFE-UHFFFAOYSA-N 2 2 282.432 0.177 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCN(C)C(=O)C2)CC1 ZINC000192745154 335299054 /nfs/dbraw/zinc/29/90/54/335299054.db2.gz PEQMDACOALTVFE-UHFFFAOYSA-N 2 2 282.432 0.177 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000577483532 335357100 /nfs/dbraw/zinc/35/71/00/335357100.db2.gz FYGDBLKDCRWOGH-FPMFFAJLSA-N 2 2 291.399 0.959 20 0 CCADLP CCCNC(=O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177378909 335371376 /nfs/dbraw/zinc/37/13/76/335371376.db2.gz IPNOUDUUYMWOLL-UHFFFAOYSA-N 2 2 284.448 0.470 20 0 CCADLP CCCNC(=O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177378909 335371377 /nfs/dbraw/zinc/37/13/77/335371377.db2.gz IPNOUDUUYMWOLL-UHFFFAOYSA-N 2 2 284.448 0.470 20 0 CCADLP CCCNC(=O)CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177378909 335371378 /nfs/dbraw/zinc/37/13/78/335371378.db2.gz IPNOUDUUYMWOLL-UHFFFAOYSA-N 2 2 284.448 0.470 20 0 CCADLP CCCNC(=O)CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177378909 335371379 /nfs/dbraw/zinc/37/13/79/335371379.db2.gz IPNOUDUUYMWOLL-UHFFFAOYSA-N 2 2 284.448 0.470 20 0 CCADLP CCOCC[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000577621807 335379509 /nfs/dbraw/zinc/37/95/09/335379509.db2.gz FBJHTLLQOVURTC-SCRDCRAPSA-N 2 2 256.390 0.989 20 0 CCADLP CCOCC[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000577621807 335379510 /nfs/dbraw/zinc/37/95/10/335379510.db2.gz FBJHTLLQOVURTC-SCRDCRAPSA-N 2 2 256.390 0.989 20 0 CCADLP CCN(CCC[NH2+]Cc1c[nH+]c(C)n1C)S(C)(=O)=O ZINC000577651600 335386518 /nfs/dbraw/zinc/38/65/18/335386518.db2.gz LLGRYDKQJMOTLQ-UHFFFAOYSA-N 2 2 288.417 0.490 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000577995976 335451728 /nfs/dbraw/zinc/45/17/28/335451728.db2.gz FRDMTJMGYXPIJC-ZDUSSCGKSA-N 2 2 278.356 0.064 20 0 CCADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(c2nc(C)cs2)CC1 ZINC000581014933 335996979 /nfs/dbraw/zinc/99/69/79/335996979.db2.gz DFYYHLNKBZIKSG-ZDUSSCGKSA-N 2 2 284.429 0.544 20 0 CCADLP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000581140304 336014758 /nfs/dbraw/zinc/01/47/58/336014758.db2.gz LCWUQOBVCCNDAJ-QWHCGFSZSA-N 2 2 283.416 0.242 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000581140304 336014760 /nfs/dbraw/zinc/01/47/60/336014760.db2.gz LCWUQOBVCCNDAJ-QWHCGFSZSA-N 2 2 283.416 0.242 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@H]2CCC(C)(C)O2)[C@@H](C[NH3+])C1 ZINC000581240787 336029547 /nfs/dbraw/zinc/02/95/47/336029547.db2.gz ILSWXCYBCYLVQV-NWDGAFQWSA-N 2 2 284.404 0.228 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@H]2CCC(C)(C)O2)[C@@H](C[NH3+])C1 ZINC000581240787 336029549 /nfs/dbraw/zinc/02/95/49/336029549.db2.gz ILSWXCYBCYLVQV-NWDGAFQWSA-N 2 2 284.404 0.228 20 0 CCADLP C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000381214442 336055265 /nfs/dbraw/zinc/05/52/65/336055265.db2.gz WDGBZFRIYFGRLI-WCBMZHEXSA-N 2 2 267.295 0.724 20 0 CCADLP C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000381214442 336055266 /nfs/dbraw/zinc/05/52/66/336055266.db2.gz WDGBZFRIYFGRLI-WCBMZHEXSA-N 2 2 267.295 0.724 20 0 CCADLP C[C@H](CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+])[NH+]1CCN(C)CC1 ZINC000581367619 336062240 /nfs/dbraw/zinc/06/22/40/336062240.db2.gz IVKSCXODAUZQRE-KFWWJZLASA-N 2 2 296.459 0.646 20 0 CCADLP CCC(CC)(C[NH3+])NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000581431615 336076546 /nfs/dbraw/zinc/07/65/46/336076546.db2.gz PACYTWHKQKOWHM-UHFFFAOYSA-N 2 2 288.355 0.910 20 0 CCADLP CC(=O)[C@H](NC(=O)C[NH2+]CC1([NH3+])CCC1)C(C)C ZINC000581489608 336088545 /nfs/dbraw/zinc/08/85/45/336088545.db2.gz WUJKTLGTCZESEF-GFCCVEGCSA-N 2 2 255.362 0.187 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CC(C)(C)[C@@H]2COC[C@@H]21)C1CC1 ZINC000384619222 336128072 /nfs/dbraw/zinc/12/80/72/336128072.db2.gz SDLKMUOAUMLIDO-MJBXVCDLSA-N 2 2 268.401 0.798 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CC(C)(C)[C@@H]2COC[C@@H]21)C1CC1 ZINC000384619222 336128073 /nfs/dbraw/zinc/12/80/73/336128073.db2.gz SDLKMUOAUMLIDO-MJBXVCDLSA-N 2 2 268.401 0.798 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CC(C)(C)[C@@H]2COC[C@@H]21)C1CC1 ZINC000384619222 336128075 /nfs/dbraw/zinc/12/80/75/336128075.db2.gz SDLKMUOAUMLIDO-MJBXVCDLSA-N 2 2 268.401 0.798 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CC(C)(C)[C@@H]2COC[C@@H]21)C1CC1 ZINC000384619222 336128077 /nfs/dbraw/zinc/12/80/77/336128077.db2.gz SDLKMUOAUMLIDO-MJBXVCDLSA-N 2 2 268.401 0.798 20 0 CCADLP C[C@H](C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)S(C)(=O)=O ZINC000581742474 336141242 /nfs/dbraw/zinc/14/12/42/336141242.db2.gz BFOGTFFYGITRDB-KKOKHZNYSA-N 2 2 262.419 0.738 20 0 CCADLP C[C@H](C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)S(C)(=O)=O ZINC000581742474 336141244 /nfs/dbraw/zinc/14/12/44/336141244.db2.gz BFOGTFFYGITRDB-KKOKHZNYSA-N 2 2 262.419 0.738 20 0 CCADLP C[N@H+](CCN1C(=O)NC(C)(C)C1=O)C1(C[NH3+])CCC1 ZINC000385325510 336144063 /nfs/dbraw/zinc/14/40/63/336144063.db2.gz JKJVMVAFSPOLOB-UHFFFAOYSA-N 2 2 268.361 0.130 20 0 CCADLP C[N@@H+](CCN1C(=O)NC(C)(C)C1=O)C1(C[NH3+])CCC1 ZINC000385325510 336144064 /nfs/dbraw/zinc/14/40/64/336144064.db2.gz JKJVMVAFSPOLOB-UHFFFAOYSA-N 2 2 268.361 0.130 20 0 CCADLP COCc1noc([C@H](C)[N@@H+]2CCC[C@@H](C[NH3+])C2)n1 ZINC000582003479 336189132 /nfs/dbraw/zinc/18/91/32/336189132.db2.gz LCPSMFSDNOEABT-UWVGGRQHSA-N 2 2 254.334 0.948 20 0 CCADLP COCc1noc([C@H](C)[N@H+]2CCC[C@@H](C[NH3+])C2)n1 ZINC000582003479 336189133 /nfs/dbraw/zinc/18/91/33/336189133.db2.gz LCPSMFSDNOEABT-UWVGGRQHSA-N 2 2 254.334 0.948 20 0 CCADLP C[C@@H](C[NH3+])NC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000418610726 533796787 /nfs/dbraw/zinc/79/67/87/533796787.db2.gz GLRYVZVHIOEYOI-NSHDSACASA-N 2 2 266.345 0.454 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c[nH]1 ZINC000449389438 533822948 /nfs/dbraw/zinc/82/29/48/533822948.db2.gz CWOCWDXVAHABTJ-CYBMUJFWSA-N 2 2 295.383 0.738 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)c[nH]1 ZINC000449389438 533822958 /nfs/dbraw/zinc/82/29/58/533822958.db2.gz CWOCWDXVAHABTJ-CYBMUJFWSA-N 2 2 295.383 0.738 20 0 CCADLP COc1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc2c1OCO2 ZINC000358175194 533882994 /nfs/dbraw/zinc/88/29/94/533882994.db2.gz ZQGFQBFDIBRMRE-HNNXBMFYSA-N 2 2 294.351 0.580 20 0 CCADLP COc1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc2c1OCO2 ZINC000358175194 533883011 /nfs/dbraw/zinc/88/30/11/533883011.db2.gz ZQGFQBFDIBRMRE-HNNXBMFYSA-N 2 2 294.351 0.580 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@H+](CCCO)C2)[C@@H](C)O1 ZINC000449398875 533967458 /nfs/dbraw/zinc/96/74/58/533967458.db2.gz WRMGTMVTYNLDCL-MQYQWHSLSA-N 2 2 256.390 0.989 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+](CCCO)C2)[C@@H](C)O1 ZINC000449398875 533967463 /nfs/dbraw/zinc/96/74/63/533967463.db2.gz WRMGTMVTYNLDCL-MQYQWHSLSA-N 2 2 256.390 0.989 20 0 CCADLP C[C@H](C[NH3+])C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000423923436 534034858 /nfs/dbraw/zinc/03/48/58/534034858.db2.gz BYXKEDOTSNQOES-VXGBXAGGSA-N 2 2 292.383 0.722 20 0 CCADLP C[C@H](C[NH3+])CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000417924871 534046063 /nfs/dbraw/zinc/04/60/63/534046063.db2.gz MUUWHQUCJMAKAQ-VXGBXAGGSA-N 2 2 277.372 0.554 20 0 CCADLP COC(=O)c1coc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCO2)c1 ZINC000423580726 534324362 /nfs/dbraw/zinc/32/43/62/534324362.db2.gz YGGNJDDPKVBGJL-MWLCHTKSSA-N 2 2 268.313 0.705 20 0 CCADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)[C@H]1COC[C@H]1O ZINC000361394452 536342756 /nfs/dbraw/zinc/34/27/56/536342756.db2.gz FOEKPUQRPLCXGP-UONOGXRCSA-N 2 2 268.357 0.793 20 0 CCADLP C[NH+](CCC[N@H+](C)Cc1ccco1)[C@H]1COC[C@H]1O ZINC000361394452 536342761 /nfs/dbraw/zinc/34/27/61/536342761.db2.gz FOEKPUQRPLCXGP-UONOGXRCSA-N 2 2 268.357 0.793 20 0 CCADLP C[NH+](CCC[N@H+](C)[C@H]1COC[C@H]1O)Cc1ccco1 ZINC000361394452 536342762 /nfs/dbraw/zinc/34/27/62/536342762.db2.gz FOEKPUQRPLCXGP-UONOGXRCSA-N 2 2 268.357 0.793 20 0 CCADLP C[NH+](CCC[N@@H+](C)[C@H]1COC[C@H]1O)Cc1ccco1 ZINC000361394452 536342765 /nfs/dbraw/zinc/34/27/65/536342765.db2.gz FOEKPUQRPLCXGP-UONOGXRCSA-N 2 2 268.357 0.793 20 0 CCADLP [NH3+]C1CC[NH+](CC(=O)NC(=O)NCc2ccccc2)CC1 ZINC000430643278 534566096 /nfs/dbraw/zinc/56/60/96/534566096.db2.gz WUEHLMGZCIEAMK-UHFFFAOYSA-N 2 2 290.367 0.436 20 0 CCADLP O=C(NC[C@@H]1CC[NH2+]C1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000423575436 534597011 /nfs/dbraw/zinc/59/70/11/534597011.db2.gz QDIIPGVHYWQCIU-OCCSQVGLSA-N 2 2 281.400 0.356 20 0 CCADLP O=C(NC[C@@H]1CC[NH2+]C1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000423575436 534597018 /nfs/dbraw/zinc/59/70/18/534597018.db2.gz QDIIPGVHYWQCIU-OCCSQVGLSA-N 2 2 281.400 0.356 20 0 CCADLP C[N@@H+]1CCC[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000526003484 545101508 /nfs/dbraw/zinc/10/15/08/545101508.db2.gz BDDTXWHWLORZEC-NSHDSACASA-N 2 2 250.346 0.800 20 0 CCADLP C[N@H+]1CCC[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000526003484 545101509 /nfs/dbraw/zinc/10/15/09/545101509.db2.gz BDDTXWHWLORZEC-NSHDSACASA-N 2 2 250.346 0.800 20 0 CCADLP C[N@@H+]1CCC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000526003484 545101510 /nfs/dbraw/zinc/10/15/10/545101510.db2.gz BDDTXWHWLORZEC-NSHDSACASA-N 2 2 250.346 0.800 20 0 CCADLP C[N@H+]1CCC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000526003484 545101511 /nfs/dbraw/zinc/10/15/11/545101511.db2.gz BDDTXWHWLORZEC-NSHDSACASA-N 2 2 250.346 0.800 20 0 CCADLP [NH3+]CCNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000418300738 534632047 /nfs/dbraw/zinc/63/20/47/534632047.db2.gz WJISCXIALMRJRH-UHFFFAOYSA-N 2 2 252.318 0.066 20 0 CCADLP COCCCNC(=O)C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365663002 523324447 /nfs/dbraw/zinc/32/44/47/523324447.db2.gz LDTROCKYUSIBCG-ZDUSSCGKSA-N 2 2 294.399 0.752 20 0 CCADLP COCCCNC(=O)C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365663002 523324455 /nfs/dbraw/zinc/32/44/55/523324455.db2.gz LDTROCKYUSIBCG-ZDUSSCGKSA-N 2 2 294.399 0.752 20 0 CCADLP CO[C@@H](C)[C@H](C)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000353640010 523442846 /nfs/dbraw/zinc/44/28/46/523442846.db2.gz FSIOZPQTEWWKNC-GJZGRUSLSA-N 2 2 299.459 0.796 20 0 CCADLP CO[C@@H](C)[C@H](C)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000353640010 523442856 /nfs/dbraw/zinc/44/28/56/523442856.db2.gz FSIOZPQTEWWKNC-GJZGRUSLSA-N 2 2 299.459 0.796 20 0 CCADLP COCC[C@@H](C)[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000531780687 545101976 /nfs/dbraw/zinc/10/19/76/545101976.db2.gz JMHQRJWOAAASIZ-GFCCVEGCSA-N 2 2 252.362 0.952 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000366534117 523823097 /nfs/dbraw/zinc/82/30/97/523823097.db2.gz JXKJCLKCWJFOSZ-QWHCGFSZSA-N 2 2 274.430 0.837 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000366534117 523823118 /nfs/dbraw/zinc/82/31/18/523823118.db2.gz JXKJCLKCWJFOSZ-QWHCGFSZSA-N 2 2 274.430 0.837 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000366534117 523823123 /nfs/dbraw/zinc/82/31/23/523823123.db2.gz JXKJCLKCWJFOSZ-QWHCGFSZSA-N 2 2 274.430 0.837 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000366534117 523823128 /nfs/dbraw/zinc/82/31/28/523823128.db2.gz JXKJCLKCWJFOSZ-QWHCGFSZSA-N 2 2 274.430 0.837 20 0 CCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ncc[nH]1 ZINC000067696755 524011390 /nfs/dbraw/zinc/01/13/90/524011390.db2.gz KSSAPHAORNQRJR-LBPRGKRZSA-N 2 2 279.388 0.442 20 0 CCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ncc[nH]1 ZINC000067696755 524011396 /nfs/dbraw/zinc/01/13/96/524011396.db2.gz KSSAPHAORNQRJR-LBPRGKRZSA-N 2 2 279.388 0.442 20 0 CCADLP Cc1ccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)nc1 ZINC000156594930 524387116 /nfs/dbraw/zinc/38/71/16/524387116.db2.gz AMVZGJDAXBSIMU-UHFFFAOYSA-N 2 2 262.357 0.254 20 0 CCADLP Cc1ccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)nc1 ZINC000156594930 524387124 /nfs/dbraw/zinc/38/71/24/524387124.db2.gz AMVZGJDAXBSIMU-UHFFFAOYSA-N 2 2 262.357 0.254 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCN1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366534783 524716580 /nfs/dbraw/zinc/71/65/80/524716580.db2.gz LXAAZZFCBGXFDF-LSDHHAIUSA-N 2 2 267.417 0.735 20 0 CCADLP C[C@H]1COCC[N@H+]1CCN1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366534783 524716589 /nfs/dbraw/zinc/71/65/89/524716589.db2.gz LXAAZZFCBGXFDF-LSDHHAIUSA-N 2 2 267.417 0.735 20 0 CCADLP C[C@H]1COCC[NH+]1CCN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366534783 524716595 /nfs/dbraw/zinc/71/65/95/524716595.db2.gz LXAAZZFCBGXFDF-LSDHHAIUSA-N 2 2 267.417 0.735 20 0 CCADLP C[C@H]1COCC[NH+]1CCN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366534783 524716603 /nfs/dbraw/zinc/71/66/03/524716603.db2.gz LXAAZZFCBGXFDF-LSDHHAIUSA-N 2 2 267.417 0.735 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000340865636 524907661 /nfs/dbraw/zinc/90/76/61/524907661.db2.gz SGKRXRUJNOLMRQ-ZIAGYGMSSA-N 2 2 288.395 0.928 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000340865636 524907671 /nfs/dbraw/zinc/90/76/71/524907671.db2.gz SGKRXRUJNOLMRQ-ZIAGYGMSSA-N 2 2 288.395 0.928 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000069136814 524960883 /nfs/dbraw/zinc/96/08/83/524960883.db2.gz NWAWIRUPQIHWNY-QWRGUYRKSA-N 2 2 257.359 0.438 20 0 CCADLP CSCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000157333423 525545474 /nfs/dbraw/zinc/54/54/74/525545474.db2.gz SHVIKJBOAHRQHB-VXGBXAGGSA-N 2 2 287.429 0.046 20 0 CCADLP CSCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000157333423 525545483 /nfs/dbraw/zinc/54/54/83/525545483.db2.gz SHVIKJBOAHRQHB-VXGBXAGGSA-N 2 2 287.429 0.046 20 0 CCADLP CCc1nn(C)cc1C[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000666889947 545132929 /nfs/dbraw/zinc/13/29/29/545132929.db2.gz PQWJPEKDUQTQEG-AWEZNQCLSA-N 2 2 266.389 0.841 20 0 CCADLP CC(C)c1nn(C)c(N(C)C)c1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000666939827 545135716 /nfs/dbraw/zinc/13/57/16/545135716.db2.gz XHGUSCMFUHTPJP-YABSGUDNSA-N 2 2 277.416 0.917 20 0 CCADLP COCCN(CC[NH+](C)C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000667256059 545142727 /nfs/dbraw/zinc/14/27/27/545142727.db2.gz CMBRRPIYYJOSKH-LBPRGKRZSA-N 2 2 297.403 0.701 20 0 CCADLP Cc1[nH+]cc(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)n1C ZINC000667512315 545148900 /nfs/dbraw/zinc/14/89/00/545148900.db2.gz BPBLUEOQNVZGOU-GXSJLCMTSA-N 2 2 250.346 0.814 20 0 CCADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)n1C ZINC000667512315 545148901 /nfs/dbraw/zinc/14/89/01/545148901.db2.gz BPBLUEOQNVZGOU-GXSJLCMTSA-N 2 2 250.346 0.814 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)Nc2ccn3cc[nH+]c3c2)CCO1 ZINC000667532048 545149274 /nfs/dbraw/zinc/14/92/74/545149274.db2.gz GAYNBYMYZNOQCN-JQWIXIFHSA-N 2 2 289.339 0.914 20 0 CCADLP [NH3+][C@H]1CCCC[C@H]1CC(=O)NCC[NH+]1CCOCC1 ZINC000055123596 527395828 /nfs/dbraw/zinc/39/58/28/527395828.db2.gz HCNSCULUZQKPMT-STQMWFEESA-N 2 2 269.389 0.342 20 0 CCADLP Cc1[nH+]cc(C[N@H+](CCO)C2CCOCC2)n1C ZINC000668030589 545161780 /nfs/dbraw/zinc/16/17/80/545161780.db2.gz WMCWVXHAOVTJRS-UHFFFAOYSA-N 2 2 253.346 0.702 20 0 CCADLP Cc1[nH+]cc(C[N@@H+](CCO)C2CCOCC2)n1C ZINC000668030589 545161781 /nfs/dbraw/zinc/16/17/81/545161781.db2.gz WMCWVXHAOVTJRS-UHFFFAOYSA-N 2 2 253.346 0.702 20 0 CCADLP COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000668075558 545162677 /nfs/dbraw/zinc/16/26/77/545162677.db2.gz VHVOEPQXNLKKCB-UKRRQHHQSA-N 2 2 297.399 0.574 20 0 CCADLP COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000668075558 545162678 /nfs/dbraw/zinc/16/26/78/545162678.db2.gz VHVOEPQXNLKKCB-UKRRQHHQSA-N 2 2 297.399 0.574 20 0 CCADLP C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1c[nH+]c2n1CCC2 ZINC000668225566 545168211 /nfs/dbraw/zinc/16/82/11/545168211.db2.gz PXJWWJBPYUMUNY-DGCLKSJQSA-N 2 2 265.357 0.801 20 0 CCADLP C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1c[nH+]c2n1CCC2 ZINC000668225566 545168212 /nfs/dbraw/zinc/16/82/12/545168212.db2.gz PXJWWJBPYUMUNY-DGCLKSJQSA-N 2 2 265.357 0.801 20 0 CCADLP CO[C@@]1(CO)CCC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668498770 545179248 /nfs/dbraw/zinc/17/92/48/545179248.db2.gz WEXKOBDNBXUPAR-AWEZNQCLSA-N 2 2 265.357 0.803 20 0 CCADLP CO[C@@]1(CO)CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668498770 545179249 /nfs/dbraw/zinc/17/92/49/545179249.db2.gz WEXKOBDNBXUPAR-AWEZNQCLSA-N 2 2 265.357 0.803 20 0 CCADLP O=C1CC[C@@H]2C[N@H+](Cc3c[nH+]c4n3CCC4)CC[C@@H]2N1 ZINC000668545196 545181231 /nfs/dbraw/zinc/18/12/31/545181231.db2.gz NXXRIKMNULJIJG-YPMHNXCESA-N 2 2 274.368 0.930 20 0 CCADLP O=C1CC[C@@H]2C[N@@H+](Cc3c[nH+]c4n3CCC4)CC[C@@H]2N1 ZINC000668545196 545181232 /nfs/dbraw/zinc/18/12/32/545181232.db2.gz NXXRIKMNULJIJG-YPMHNXCESA-N 2 2 274.368 0.930 20 0 CCADLP CC[C@@H]1CN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC[C@@H]1[NH3+] ZINC000669461705 545208950 /nfs/dbraw/zinc/20/89/50/545208950.db2.gz UHXOIMDNYDUZLN-MJBXVCDLSA-N 2 2 298.431 0.476 20 0 CCADLP CC[C@@H]1CN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC[C@@H]1[NH3+] ZINC000669461705 545208951 /nfs/dbraw/zinc/20/89/51/545208951.db2.gz UHXOIMDNYDUZLN-MJBXVCDLSA-N 2 2 298.431 0.476 20 0 CCADLP CCC[C@H]([NH3+])C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000423864789 528164882 /nfs/dbraw/zinc/16/48/82/528164882.db2.gz ZKRVIFDZDRYBPD-RYUDHWBXSA-N 2 2 285.388 0.210 20 0 CCADLP CCC[C@H]([NH3+])C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000423864789 528164888 /nfs/dbraw/zinc/16/48/88/528164888.db2.gz ZKRVIFDZDRYBPD-RYUDHWBXSA-N 2 2 285.388 0.210 20 0 CCADLP C[N@@H+]1CCN(C(=O)CC2(C[NH3+])CCCCC2)[C@H](C[NH3+])C1 ZINC000669512561 545211451 /nfs/dbraw/zinc/21/14/51/545211451.db2.gz BTIZILNEDSXSCE-CYBMUJFWSA-N 3 2 282.432 0.387 20 0 CCADLP C[N@H+]1CCN(C(=O)CC2(C[NH3+])CCCCC2)[C@H](C[NH3+])C1 ZINC000669512561 545211452 /nfs/dbraw/zinc/21/14/52/545211452.db2.gz BTIZILNEDSXSCE-CYBMUJFWSA-N 3 2 282.432 0.387 20 0 CCADLP O=C(NC[C@H]1CCC[NH2+]1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000669542879 545214048 /nfs/dbraw/zinc/21/40/48/545214048.db2.gz PJZFWWYORAYQFM-OLZOCXBDSA-N 2 2 289.383 0.712 20 0 CCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CC[NH2+]CC1 ZINC000669542945 545214101 /nfs/dbraw/zinc/21/41/01/545214101.db2.gz VLWSWSUWVBAIRT-LBPRGKRZSA-N 2 2 275.356 0.275 20 0 CCADLP C[N@H+]1CCN(C(=O)NCc2ccc(Cl)cn2)[C@@H](C[NH3+])C1 ZINC000669552259 545214607 /nfs/dbraw/zinc/21/46/07/545214607.db2.gz DINOUZOTABIJMV-LBPRGKRZSA-N 2 2 297.790 0.519 20 0 CCADLP CC(C)C[C@@H](C[NH3+])NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418433715 528301709 /nfs/dbraw/zinc/30/17/09/528301709.db2.gz DBTWAAPPGMYKTD-MELADBBJSA-N 2 2 298.431 0.522 20 0 CCADLP CC(C)C[C@@H](C[NH3+])NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418433715 528301715 /nfs/dbraw/zinc/30/17/15/528301715.db2.gz DBTWAAPPGMYKTD-MELADBBJSA-N 2 2 298.431 0.522 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000423685071 528474172 /nfs/dbraw/zinc/47/41/72/528474172.db2.gz IKURTJPYTOBTLD-SOUVJXGZSA-N 2 2 295.427 0.698 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000423685071 528474181 /nfs/dbraw/zinc/47/41/81/528474181.db2.gz IKURTJPYTOBTLD-SOUVJXGZSA-N 2 2 295.427 0.698 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423601573 528480460 /nfs/dbraw/zinc/48/04/60/528480460.db2.gz BZTMOXZXBCTXHY-DZGCQCFKSA-N 2 2 283.416 0.685 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423601573 528480461 /nfs/dbraw/zinc/48/04/61/528480461.db2.gz BZTMOXZXBCTXHY-DZGCQCFKSA-N 2 2 283.416 0.685 20 0 CCADLP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000423576659 528495474 /nfs/dbraw/zinc/49/54/74/528495474.db2.gz RLMJVEDFRDZMBE-CHWSQXEVSA-N 2 2 252.362 0.486 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)NCC[N@H+](CC)CCO ZINC000492622994 528529892 /nfs/dbraw/zinc/52/98/92/528529892.db2.gz PIPPBFJQZRKCFO-AATRIKPKSA-N 2 2 280.372 0.347 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)NCC[N@@H+](CC)CCO ZINC000492622994 528529899 /nfs/dbraw/zinc/52/98/99/528529899.db2.gz PIPPBFJQZRKCFO-AATRIKPKSA-N 2 2 280.372 0.347 20 0 CCADLP C[C@H](NC(=O)c1ccc2c[nH+]cn2c1)[C@H]1C[N@H+](C)CCO1 ZINC000670810597 545239501 /nfs/dbraw/zinc/23/95/01/545239501.db2.gz YMLBEHQMPQKHAH-SMDDNHRTSA-N 2 2 288.351 0.783 20 0 CCADLP C[C@H](NC(=O)c1ccc2c[nH+]cn2c1)[C@H]1C[N@@H+](C)CCO1 ZINC000670810597 545239502 /nfs/dbraw/zinc/23/95/02/545239502.db2.gz YMLBEHQMPQKHAH-SMDDNHRTSA-N 2 2 288.351 0.783 20 0 CCADLP C[C@H](NC(=O)c1ccc2c[nH+]cn2c1)[C@@H]1C[N@H+](C)CCO1 ZINC000670810595 545239542 /nfs/dbraw/zinc/23/95/42/545239542.db2.gz YMLBEHQMPQKHAH-FZMZJTMJSA-N 2 2 288.351 0.783 20 0 CCADLP C[C@H](NC(=O)c1ccc2c[nH+]cn2c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670810595 545239543 /nfs/dbraw/zinc/23/95/43/545239543.db2.gz YMLBEHQMPQKHAH-FZMZJTMJSA-N 2 2 288.351 0.783 20 0 CCADLP CC[C@H](C(N)=O)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986172 545241020 /nfs/dbraw/zinc/24/10/20/545241020.db2.gz QILHIQMEDBAHEL-CHWSQXEVSA-N 2 2 269.389 0.437 20 0 CCADLP CC[C@H](C(N)=O)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986172 545241021 /nfs/dbraw/zinc/24/10/21/545241021.db2.gz QILHIQMEDBAHEL-CHWSQXEVSA-N 2 2 269.389 0.437 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)NCC1CC1 ZINC000670986564 545241437 /nfs/dbraw/zinc/24/14/37/545241437.db2.gz VPUQOJAJPQNCKP-OAHLLOKOSA-N 2 2 295.427 0.699 20 0 CCADLP O=C(C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)NCC1CC1 ZINC000670986564 545241438 /nfs/dbraw/zinc/24/14/38/545241438.db2.gz VPUQOJAJPQNCKP-OAHLLOKOSA-N 2 2 295.427 0.699 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672151990 545263513 /nfs/dbraw/zinc/26/35/13/545263513.db2.gz DBFFMGYSMANNFD-NSHDSACASA-N 2 2 250.346 0.656 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000418417966 529057483 /nfs/dbraw/zinc/05/74/83/529057483.db2.gz XBLPZVZPYLJOOD-HZSPNIEDSA-N 2 2 298.431 0.474 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000418120797 529058816 /nfs/dbraw/zinc/05/88/16/529058816.db2.gz WEXARMYCTQNHBV-GFCCVEGCSA-N 2 2 284.404 0.134 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000423641208 529126713 /nfs/dbraw/zinc/12/67/13/529126713.db2.gz WJVAHIHNNWUTPG-CYBMUJFWSA-N 2 2 298.431 0.173 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000423641208 529126717 /nfs/dbraw/zinc/12/67/17/529126717.db2.gz WJVAHIHNNWUTPG-CYBMUJFWSA-N 2 2 298.431 0.173 20 0 CCADLP CC[C@H](C)[C@@H](NC(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)OC ZINC000424291412 529215874 /nfs/dbraw/zinc/21/58/74/529215874.db2.gz NUSHEHRAJQOVHF-FMCLSXCISA-N 2 2 299.415 0.550 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)NC[C@@H]([NH3+])C2CC2)CCO1 ZINC000418498876 529292886 /nfs/dbraw/zinc/29/28/86/529292886.db2.gz MUHQJROTFSZDPC-QWHCGFSZSA-N 2 2 284.404 0.134 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)NC[C@@H]([NH3+])C2CC2)CCO1 ZINC000418498876 529292889 /nfs/dbraw/zinc/29/28/89/529292889.db2.gz MUHQJROTFSZDPC-QWHCGFSZSA-N 2 2 284.404 0.134 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc[nH]c2=O)CC1 ZINC000674000613 545298221 /nfs/dbraw/zinc/29/82/21/545298221.db2.gz PYELIICPVOAHOW-UHFFFAOYSA-N 2 2 292.383 0.543 20 0 CCADLP CC(C)[C@H](C[NH2+][C@H]1C[N@H+](C)C[C@H]1C)N1CCOCC1 ZINC000343087884 535023614 /nfs/dbraw/zinc/02/36/14/535023614.db2.gz XARPYGGQADKTSO-ILXRZTDVSA-N 2 2 269.433 0.883 20 0 CCADLP CC(C)[C@H](C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C)N1CCOCC1 ZINC000343087884 535023617 /nfs/dbraw/zinc/02/36/17/535023617.db2.gz XARPYGGQADKTSO-ILXRZTDVSA-N 2 2 269.433 0.883 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000370754719 535056279 /nfs/dbraw/zinc/05/62/79/535056279.db2.gz BKSCJFWLHGVKQD-ZDUSSCGKSA-N 2 2 273.340 0.867 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357079441 535276677 /nfs/dbraw/zinc/27/66/77/535276677.db2.gz SNOSVOMMNHKEFP-SDDRHHMPSA-N 2 2 282.388 0.150 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357079441 535276680 /nfs/dbraw/zinc/27/66/80/535276680.db2.gz SNOSVOMMNHKEFP-SDDRHHMPSA-N 2 2 282.388 0.150 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357085154 535543225 /nfs/dbraw/zinc/54/32/25/535543225.db2.gz QLCNUGRFIGZVGZ-MJBXVCDLSA-N 2 2 283.416 0.459 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357085154 535543229 /nfs/dbraw/zinc/54/32/29/535543229.db2.gz QLCNUGRFIGZVGZ-MJBXVCDLSA-N 2 2 283.416 0.459 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000676303906 545340487 /nfs/dbraw/zinc/34/04/87/545340487.db2.gz BDUKXYSRSYIMEQ-KGLIPLIRSA-N 2 2 298.431 0.441 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000676303906 545340488 /nfs/dbraw/zinc/34/04/88/545340488.db2.gz BDUKXYSRSYIMEQ-KGLIPLIRSA-N 2 2 298.431 0.441 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC000263715351 535560566 /nfs/dbraw/zinc/56/05/66/535560566.db2.gz VYFZYDJRRGVAQY-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC000263715351 535560568 /nfs/dbraw/zinc/56/05/68/535560568.db2.gz VYFZYDJRRGVAQY-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@@H]1C ZINC000677185495 545360245 /nfs/dbraw/zinc/36/02/45/545360245.db2.gz ZPGDOWDLUDHUNH-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@@H]1C ZINC000677185495 545360246 /nfs/dbraw/zinc/36/02/46/545360246.db2.gz ZPGDOWDLUDHUNH-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@H+](CC)[C@@H](C)C2)C1 ZINC000677185495 545360247 /nfs/dbraw/zinc/36/02/47/545360247.db2.gz ZPGDOWDLUDHUNH-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](CC)[C@@H](C)C2)C1 ZINC000677185495 545360248 /nfs/dbraw/zinc/36/02/48/545360248.db2.gz ZPGDOWDLUDHUNH-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@@H]1C[N@H+](CCNc2[nH+]cnc3[nH]ccc32)CCO1 ZINC000362681662 535853263 /nfs/dbraw/zinc/85/32/63/535853263.db2.gz RKRAOVDKUYSZGR-LLVKDONJSA-N 2 2 275.356 0.903 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNc2[nH+]cnc3[nH]ccc32)CCO1 ZINC000362681662 535853268 /nfs/dbraw/zinc/85/32/68/535853268.db2.gz RKRAOVDKUYSZGR-LLVKDONJSA-N 2 2 275.356 0.903 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)N(C)Cc2[nH]cc[nH+]2)CC1 ZINC000677801597 545373022 /nfs/dbraw/zinc/37/30/22/545373022.db2.gz FJEAINNIMZZYOA-LBPRGKRZSA-N 2 2 279.388 0.394 20 0 CCADLP O=C(Nc1ccc2[nH+]ccn2c1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000677887950 545375754 /nfs/dbraw/zinc/37/57/54/545375754.db2.gz FWPKMPGXONUTKJ-ZDUSSCGKSA-N 2 2 285.351 0.663 20 0 CCADLP O=C(Nc1ccc2[nH+]ccn2c1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000677887950 545375755 /nfs/dbraw/zinc/37/57/55/545375755.db2.gz FWPKMPGXONUTKJ-ZDUSSCGKSA-N 2 2 285.351 0.663 20 0 CCADLP CNc1cc2c(nn1)CC[N@@H+](CCn1cc[nH+]c1)C2 ZINC000677983100 545379722 /nfs/dbraw/zinc/37/97/22/545379722.db2.gz HYPQBNYTAPNDBA-UHFFFAOYSA-N 2 2 258.329 0.773 20 0 CCADLP COCC(=O)NC1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000677981263 545379563 /nfs/dbraw/zinc/37/95/63/545379563.db2.gz ZQJDQXKRMXHAMW-UHFFFAOYSA-N 2 2 280.372 0.419 20 0 CCADLP CN(C)C(=O)C[NH+]1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000678073846 545383490 /nfs/dbraw/zinc/38/34/90/545383490.db2.gz JUBDFARNUYUQLP-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP CN(C)C(=O)C[NH+]1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000678073846 545383491 /nfs/dbraw/zinc/38/34/91/545383491.db2.gz JUBDFARNUYUQLP-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP C[N@H+](CC[C@H]1CCC[NH+]1C)CCN1CCCS1(=O)=O ZINC000678079004 545383966 /nfs/dbraw/zinc/38/39/66/545383966.db2.gz LEMWEQZRIIHBRN-CYBMUJFWSA-N 2 2 289.445 0.438 20 0 CCADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)CCN1CCCS1(=O)=O ZINC000678079004 545383967 /nfs/dbraw/zinc/38/39/67/545383967.db2.gz LEMWEQZRIIHBRN-CYBMUJFWSA-N 2 2 289.445 0.438 20 0 CCADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)CCN1CCCS1(=O)=O ZINC000678079004 545383968 /nfs/dbraw/zinc/38/39/68/545383968.db2.gz LEMWEQZRIIHBRN-CYBMUJFWSA-N 2 2 289.445 0.438 20 0 CCADLP C[NH+](CC[C@H]1CCC[N@H+]1C)CCN1CCCS1(=O)=O ZINC000678079004 545383969 /nfs/dbraw/zinc/38/39/69/545383969.db2.gz LEMWEQZRIIHBRN-CYBMUJFWSA-N 2 2 289.445 0.438 20 0 CCADLP Cc1nnc(CN2CC[NH+](CCn3cc[nH+]c3)CC2)[nH]1 ZINC000678888216 545399456 /nfs/dbraw/zinc/39/94/56/545399456.db2.gz BSRDLNFAJXWIEE-UHFFFAOYSA-N 2 2 275.360 0.127 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccncc1 ZINC000679378387 545408263 /nfs/dbraw/zinc/40/82/63/545408263.db2.gz NEQWLZZAWNZNFX-UHFFFAOYSA-N 2 2 262.357 0.287 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccncc1 ZINC000679378387 545408264 /nfs/dbraw/zinc/40/82/64/545408264.db2.gz NEQWLZZAWNZNFX-UHFFFAOYSA-N 2 2 262.357 0.287 20 0 CCADLP COC(=O)c1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)[nH]1 ZINC000347007943 536665185 /nfs/dbraw/zinc/66/51/85/536665185.db2.gz DSAARWQAVMSGSH-SNVBAGLBSA-N 2 2 251.330 0.972 20 0 CCADLP COC(=O)c1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)[nH]1 ZINC000347007943 536665179 /nfs/dbraw/zinc/66/51/79/536665179.db2.gz DSAARWQAVMSGSH-SNVBAGLBSA-N 2 2 251.330 0.972 20 0 CCADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[nH]1 ZINC000357138445 536669102 /nfs/dbraw/zinc/66/91/02/536669102.db2.gz WXJAUVIDFXNYNX-GHMZBOCLSA-N 2 2 263.341 0.843 20 0 CCADLP COC(=O)c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[nH]1 ZINC000357138445 536669107 /nfs/dbraw/zinc/66/91/07/536669107.db2.gz WXJAUVIDFXNYNX-GHMZBOCLSA-N 2 2 263.341 0.843 20 0 CCADLP CC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccn(C)n1 ZINC000680461960 545429183 /nfs/dbraw/zinc/42/91/83/545429183.db2.gz FRWCCBVYNGHNLX-LBPRGKRZSA-N 2 2 279.388 0.235 20 0 CCADLP COCC[NH2+]C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000514942899 536892965 /nfs/dbraw/zinc/89/29/65/536892965.db2.gz VSLNUNODTQDXCT-UHFFFAOYSA-N 2 2 252.362 0.621 20 0 CCADLP NC(=O)c1c[nH+]ccc1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000680829021 545435160 /nfs/dbraw/zinc/43/51/60/545435160.db2.gz UVAADXVGMLZMJK-KGLIPLIRSA-N 2 2 290.367 0.216 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC000961886408 649885380 /nfs/dbraw/zinc/88/53/80/649885380.db2.gz HHYABRYAOQJITE-MUYACECFSA-N 2 2 290.367 0.035 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]21 ZINC000961886408 649885383 /nfs/dbraw/zinc/88/53/83/649885383.db2.gz HHYABRYAOQJITE-MUYACECFSA-N 2 2 290.367 0.035 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cnc2ccccn12 ZINC000131552325 581145693 /nfs/dbraw/zinc/14/56/93/581145693.db2.gz GAQOFTHHTOPMDV-AWEZNQCLSA-N 2 2 262.357 0.737 20 0 CCADLP CC[C@H]1NC(=O)N([C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000777651750 581128724 /nfs/dbraw/zinc/12/87/24/581128724.db2.gz FKGZLXOPLCHTRC-QWHCGFSZSA-N 2 2 294.399 0.485 20 0 CCADLP CC[C@H]1NC(=O)N([C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000777651750 581128726 /nfs/dbraw/zinc/12/87/26/581128726.db2.gz FKGZLXOPLCHTRC-QWHCGFSZSA-N 2 2 294.399 0.485 20 0 CCADLP C[C@@H]1C[N@H+](CC2OCCO2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000777715578 581131404 /nfs/dbraw/zinc/13/14/04/581131404.db2.gz CDUQKNGZJKCYFN-KGLIPLIRSA-N 2 2 283.416 0.317 20 0 CCADLP C[C@@H]1C[N@@H+](CC2OCCO2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000777715578 581131405 /nfs/dbraw/zinc/13/14/05/581131405.db2.gz CDUQKNGZJKCYFN-KGLIPLIRSA-N 2 2 283.416 0.317 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CCOCC2CC2)CC1 ZINC000131441140 581145842 /nfs/dbraw/zinc/14/58/42/581145842.db2.gz RGIMBBLHCCOXRJ-HNNXBMFYSA-N 2 2 295.427 0.827 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CCOCC2CC2)CC1 ZINC000131441140 581145844 /nfs/dbraw/zinc/14/58/44/581145844.db2.gz RGIMBBLHCCOXRJ-HNNXBMFYSA-N 2 2 295.427 0.827 20 0 CCADLP C[C@H](CCO)[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000779341701 581181750 /nfs/dbraw/zinc/18/17/50/581181750.db2.gz KCKZDRJFLXNTLU-CQSZACIVSA-N 2 2 293.415 0.349 20 0 CCADLP CC[C@@H](CO)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000779775271 581203309 /nfs/dbraw/zinc/20/33/09/581203309.db2.gz CIKRRJYVIWNRDD-DZGCQCFKSA-N 2 2 297.443 0.632 20 0 CCADLP CC[C@@H](CO)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000779775271 581203311 /nfs/dbraw/zinc/20/33/11/581203311.db2.gz CIKRRJYVIWNRDD-DZGCQCFKSA-N 2 2 297.443 0.632 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CC3OCCO3)C2)CC1 ZINC000793490840 581300895 /nfs/dbraw/zinc/30/08/95/581300895.db2.gz HLXISRFTFJKHQB-GFCCVEGCSA-N 2 2 297.399 0.034 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CC3OCCO3)C2)CC1 ZINC000793490840 581300897 /nfs/dbraw/zinc/30/08/97/581300897.db2.gz HLXISRFTFJKHQB-GFCCVEGCSA-N 2 2 297.399 0.034 20 0 CCADLP CO[C@@H]1CC(=O)N(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000787223126 581461169 /nfs/dbraw/zinc/46/11/69/581461169.db2.gz HXVGKWFBJMOXFV-NWDGAFQWSA-N 2 2 278.356 0.414 20 0 CCADLP CO[C@@H]1CC(=O)N(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000787223126 581461170 /nfs/dbraw/zinc/46/11/70/581461170.db2.gz HXVGKWFBJMOXFV-NWDGAFQWSA-N 2 2 278.356 0.414 20 0 CCADLP C[C@H]1CN(C(=O)[C@H]2CCC[NH+]2C2CC2)CC[N@@H+]1C ZINC000787390827 581469575 /nfs/dbraw/zinc/46/95/75/581469575.db2.gz NUIZRXLFIGHGKJ-WCQYABFASA-N 2 2 251.374 0.776 20 0 CCADLP C[C@H]1CN(C(=O)[C@H]2CCC[NH+]2C2CC2)CC[N@H+]1C ZINC000787390827 581469577 /nfs/dbraw/zinc/46/95/77/581469577.db2.gz NUIZRXLFIGHGKJ-WCQYABFASA-N 2 2 251.374 0.776 20 0 CCADLP C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC[NH+]1C ZINC000787390827 581469578 /nfs/dbraw/zinc/46/95/78/581469578.db2.gz NUIZRXLFIGHGKJ-WCQYABFASA-N 2 2 251.374 0.776 20 0 CCADLP C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CC[NH+]1C ZINC000787390827 581469580 /nfs/dbraw/zinc/46/95/80/581469580.db2.gz NUIZRXLFIGHGKJ-WCQYABFASA-N 2 2 251.374 0.776 20 0 CCADLP C[N@@H+]1CC[C@@H]([NH2+]CCN2C(=O)c3ccccc3C2=O)C1 ZINC000756107573 581656634 /nfs/dbraw/zinc/65/66/34/581656634.db2.gz RDLKYTTXYKOTTR-LLVKDONJSA-N 2 2 273.336 0.576 20 0 CCADLP C[N@H+]1CC[C@@H]([NH2+]CCN2C(=O)c3ccccc3C2=O)C1 ZINC000756107573 581656638 /nfs/dbraw/zinc/65/66/38/581656638.db2.gz RDLKYTTXYKOTTR-LLVKDONJSA-N 2 2 273.336 0.576 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)CC[NH+]1CCOCC1 ZINC000768849142 581658957 /nfs/dbraw/zinc/65/89/57/581658957.db2.gz PNTZYTSOHVKELV-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)CC[NH+]1CCOCC1 ZINC000768849142 581658960 /nfs/dbraw/zinc/65/89/60/581658960.db2.gz PNTZYTSOHVKELV-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCOCC2(CCC2)C1 ZINC000759918790 581831668 /nfs/dbraw/zinc/83/16/68/581831668.db2.gz VSFGAHXUZUTNKW-AWEZNQCLSA-N 2 2 268.401 0.946 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCOCC2(CCC2)C1 ZINC000759918790 581831670 /nfs/dbraw/zinc/83/16/70/581831670.db2.gz VSFGAHXUZUTNKW-AWEZNQCLSA-N 2 2 268.401 0.946 20 0 CCADLP CCc1nn(C)c(Cl)c1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000762557456 581951183 /nfs/dbraw/zinc/95/11/83/581951183.db2.gz ZGFYUYYQSKKPCE-ZDUSSCGKSA-N 2 2 286.807 0.792 20 0 CCADLP CCc1nn(C)c(Cl)c1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000762557456 581951187 /nfs/dbraw/zinc/95/11/87/581951187.db2.gz ZGFYUYYQSKKPCE-ZDUSSCGKSA-N 2 2 286.807 0.792 20 0 CCADLP OCC[N@@H+](Cc1cccnc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000763410220 581998031 /nfs/dbraw/zinc/99/80/31/581998031.db2.gz VODMGZHYTYEKHY-HNNXBMFYSA-N 2 2 279.384 0.333 20 0 CCADLP OCC[N@H+](Cc1cccnc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000763410220 581998034 /nfs/dbraw/zinc/99/80/34/581998034.db2.gz VODMGZHYTYEKHY-HNNXBMFYSA-N 2 2 279.384 0.333 20 0 CCADLP COCc1cn(CC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000899729819 616911168 /nfs/dbraw/zinc/91/11/68/616911168.db2.gz CGYVYZUPPZDMRR-UHFFFAOYSA-N 2 2 255.366 0.308 20 0 CCADLP COCc1cn(CC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000899729819 616911175 /nfs/dbraw/zinc/91/11/75/616911175.db2.gz CGYVYZUPPZDMRR-UHFFFAOYSA-N 2 2 255.366 0.308 20 0 CCADLP C[C@@H]([NH3+])CN(C)C(=O)[C@H]([NH3+])CN(C)Cc1ccccc1 ZINC000877108932 617174803 /nfs/dbraw/zinc/17/48/03/617174803.db2.gz XVFVBIMSKXPLKR-TZMCWYRMSA-N 2 2 278.400 0.251 20 0 CCADLP C[C@H](O)C[NH2+]C1CC2(CC(NC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC000965282362 649930821 /nfs/dbraw/zinc/93/08/21/649930821.db2.gz WUSMMPMDHSBXCP-JKUIUPISSA-N 2 2 292.383 0.350 20 0 CCADLP CC(C)[C@@H](CNC(=[NH2+])NCC(F)F)[NH+]1CCOCC1 ZINC000887347368 614094928 /nfs/dbraw/zinc/09/49/28/614094928.db2.gz SGGJPGZENRFSSB-SNVBAGLBSA-N 2 2 278.347 0.722 20 0 CCADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C[C@@H]([NH3+])C(F)F ZINC000911872129 614117994 /nfs/dbraw/zinc/11/79/94/614117994.db2.gz WXCMFDRXRDNDMZ-DTWKUNHWSA-N 2 2 251.321 0.801 20 0 CCADLP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000884405283 614224765 /nfs/dbraw/zinc/22/47/65/614224765.db2.gz MFZRXCTUAIMTJD-KBPBESRZSA-N 2 2 297.443 0.929 20 0 CCADLP CC(C)[N@H+](C[C@H](O)C[NH+]1CCCC1)C[C@H]1CCC(=O)N1 ZINC000839673157 614298675 /nfs/dbraw/zinc/29/86/75/614298675.db2.gz UVWCMFAONBOWGV-ZIAGYGMSSA-N 2 2 283.416 0.432 20 0 CCADLP CC(C)[N@@H+](C[C@H](O)C[NH+]1CCCC1)C[C@H]1CCC(=O)N1 ZINC000839673157 614298676 /nfs/dbraw/zinc/29/86/76/614298676.db2.gz UVWCMFAONBOWGV-ZIAGYGMSSA-N 2 2 283.416 0.432 20 0 CCADLP CCC[C@H](O)C[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880252909 614422337 /nfs/dbraw/zinc/42/23/37/614422337.db2.gz GRZVSSLUCRHEEJ-AWEZNQCLSA-N 2 2 297.443 0.953 20 0 CCADLP CS[C@@H]1CN(c2nc(N)cc(C)[nH+]2)C[C@@H]1[NH+](C)C ZINC000893001900 617269173 /nfs/dbraw/zinc/26/91/73/617269173.db2.gz PNUSXCFGEHUVED-VHSXEESVSA-N 2 2 267.402 0.849 20 0 CCADLP C(C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)O[C@@H]1CCOC1 ZINC000930320228 613232946 /nfs/dbraw/zinc/23/29/46/613232946.db2.gz TVJKYWFPMXBDEB-JKSUJKDBSA-N 2 2 298.427 0.979 20 0 CCADLP C(C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)O[C@@H]1CCOC1 ZINC000930320228 613232948 /nfs/dbraw/zinc/23/29/48/613232948.db2.gz TVJKYWFPMXBDEB-JKSUJKDBSA-N 2 2 298.427 0.979 20 0 CCADLP C/C(=C/C(=O)NCC[NH+]1CCCCC1)C[NH+]1CCOCC1 ZINC000900207161 613236093 /nfs/dbraw/zinc/23/60/93/613236093.db2.gz NVTIKAQDKVYAQV-SQFISAMPSA-N 2 2 295.427 0.867 20 0 CCADLP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H]3C[NH2+]CCOC3)[C@H]2C1 ZINC000925668071 613619907 /nfs/dbraw/zinc/61/99/07/613619907.db2.gz GGIATVXLUHHXRY-AJNGGQMLSA-N 2 2 281.400 0.211 20 0 CCADLP CC(C)[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000968871447 613969304 /nfs/dbraw/zinc/96/93/04/613969304.db2.gz BQMZVDYMLVZYIB-GFCCVEGCSA-N 2 2 250.346 0.941 20 0 CCADLP CC(C)[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000968871447 613969307 /nfs/dbraw/zinc/96/93/07/613969307.db2.gz BQMZVDYMLVZYIB-GFCCVEGCSA-N 2 2 250.346 0.941 20 0 CCADLP CC(C)[NH2+][C@H](C)[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CCO1 ZINC000979276037 613978538 /nfs/dbraw/zinc/97/85/38/613978538.db2.gz IKWJNPHSVDXRHP-CHWSQXEVSA-N 2 2 294.399 0.956 20 0 CCADLP CC(C)[NH2+][C@H](C)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC000979452458 613978932 /nfs/dbraw/zinc/97/89/32/613978932.db2.gz YRBAIZYJWGLIKD-CHWSQXEVSA-N 2 2 280.372 0.497 20 0 CCADLP CC(C)(CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000874431245 614100172 /nfs/dbraw/zinc/10/01/72/614100172.db2.gz LBACQJPIUTUSFG-TXEJJXNPSA-N 2 2 284.404 0.134 20 0 CCADLP CC(C)(CO)[NH+]1CCN(C(=O)CNc2cccc[nH+]2)CC1 ZINC000901228131 614120183 /nfs/dbraw/zinc/12/01/83/614120183.db2.gz VCTVTISQYWPGDQ-UHFFFAOYSA-N 2 2 292.383 0.409 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000930223019 614342535 /nfs/dbraw/zinc/34/25/35/614342535.db2.gz SYGYSOVLVRBCMV-GFCCVEGCSA-N 2 2 250.346 0.872 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000930223019 614342536 /nfs/dbraw/zinc/34/25/36/614342536.db2.gz SYGYSOVLVRBCMV-GFCCVEGCSA-N 2 2 250.346 0.872 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000827911004 614351017 /nfs/dbraw/zinc/35/10/17/614351017.db2.gz OXTORTLTWOPKLA-KBPBESRZSA-N 2 2 291.399 0.755 20 0 CCADLP CCC[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[N@@H+]1CCOC ZINC000901273239 614441714 /nfs/dbraw/zinc/44/17/14/614441714.db2.gz HBFGDXJCFIKGAN-AWEZNQCLSA-N 2 2 294.399 0.912 20 0 CCADLP CCC[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[N@H+]1CCOC ZINC000901273239 614441718 /nfs/dbraw/zinc/44/17/18/614441718.db2.gz HBFGDXJCFIKGAN-AWEZNQCLSA-N 2 2 294.399 0.912 20 0 CCADLP CCCCOC(=O)[C@H](C)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000842480151 614443067 /nfs/dbraw/zinc/44/30/67/614443067.db2.gz CTPSCCLUZOLBQB-NSHDSACASA-N 2 2 258.362 0.504 20 0 CCADLP CCC[N@H+](C[C@H](O)Cn1cccn1)[C@@H]1CC[NH2+]C1 ZINC000923285979 614585534 /nfs/dbraw/zinc/58/55/34/614585534.db2.gz KKZPKRLAMGKRNF-OLZOCXBDSA-N 2 2 252.362 0.318 20 0 CCADLP CCC[N@@H+](C[C@H](O)Cn1cccn1)[C@@H]1CC[NH2+]C1 ZINC000923285979 614585535 /nfs/dbraw/zinc/58/55/35/614585535.db2.gz KKZPKRLAMGKRNF-OLZOCXBDSA-N 2 2 252.362 0.318 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)C1C[NH+](C[C@@H](C)O)C1 ZINC000950469932 614659471 /nfs/dbraw/zinc/65/94/71/614659471.db2.gz UJGLMHXBQIZINU-UKRRQHHQSA-N 2 2 297.443 0.774 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N(CC)C1C[NH+](C[C@@H](C)O)C1 ZINC000950469932 614659475 /nfs/dbraw/zinc/65/94/75/614659475.db2.gz UJGLMHXBQIZINU-UKRRQHHQSA-N 2 2 297.443 0.774 20 0 CCADLP CC1(C)C[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@@H]1[NH3+] ZINC000903786088 614672958 /nfs/dbraw/zinc/67/29/58/614672958.db2.gz DDOBTQGBGXQNDF-SGMGOOAPSA-N 3 2 253.390 0.424 20 0 CCADLP CC1(C)C[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@@H]1[NH3+] ZINC000903786088 614672959 /nfs/dbraw/zinc/67/29/59/614672959.db2.gz DDOBTQGBGXQNDF-SGMGOOAPSA-N 3 2 253.390 0.424 20 0 CCADLP CCC1(CC)CNC(=O)[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000933289782 614688887 /nfs/dbraw/zinc/68/88/87/614688887.db2.gz NAFXFAHQUBPPGS-QWHCGFSZSA-N 2 2 283.416 0.338 20 0 CCADLP CC1(C)CNC(=O)[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000895322528 614690410 /nfs/dbraw/zinc/69/04/10/614690410.db2.gz UQCCHGQBVYSLKS-KGLIPLIRSA-N 2 2 295.427 0.744 20 0 CCADLP CCN(C(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1)C1C[NH+](CCO)C1 ZINC000950089379 614692861 /nfs/dbraw/zinc/69/28/61/614692861.db2.gz BNQPFWGFZYSRTG-KBPBESRZSA-N 2 2 295.427 0.386 20 0 CCADLP CCN(C(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1)C1C[NH+](CCO)C1 ZINC000950089379 614692864 /nfs/dbraw/zinc/69/28/64/614692864.db2.gz BNQPFWGFZYSRTG-KBPBESRZSA-N 2 2 295.427 0.386 20 0 CCADLP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000902364188 614701040 /nfs/dbraw/zinc/70/10/40/614701040.db2.gz PNVUHYPODMWNLS-KGLIPLIRSA-N 3 2 269.433 0.811 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891506487 614718629 /nfs/dbraw/zinc/71/86/29/614718629.db2.gz HUIVSCAJBJKNBE-TXEJJXNPSA-N 2 2 284.404 0.134 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891506487 614718632 /nfs/dbraw/zinc/71/86/32/614718632.db2.gz HUIVSCAJBJKNBE-TXEJJXNPSA-N 2 2 284.404 0.134 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870881446 614718721 /nfs/dbraw/zinc/71/87/21/614718721.db2.gz UWJYTYQWIDKPHC-XUJVJEKNSA-N 2 2 281.400 0.341 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870881446 614718722 /nfs/dbraw/zinc/71/87/22/614718722.db2.gz UWJYTYQWIDKPHC-XUJVJEKNSA-N 2 2 281.400 0.341 20 0 CCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]CCNC(=O)c1ccco1 ZINC000925516074 614808017 /nfs/dbraw/zinc/80/80/17/614808017.db2.gz GVOCHVFWMMTTIR-LLVKDONJSA-N 2 2 251.330 0.740 20 0 CCADLP CC1(C)OC[C@H](C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)O1 ZINC000852708301 614833409 /nfs/dbraw/zinc/83/34/09/614833409.db2.gz WIYITYROPJHWQA-KGLIPLIRSA-N 2 2 284.400 0.669 20 0 CCADLP CC1(C)OC[C@H](C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)O1 ZINC000852708301 614833413 /nfs/dbraw/zinc/83/34/13/614833413.db2.gz WIYITYROPJHWQA-KGLIPLIRSA-N 2 2 284.400 0.669 20 0 CCADLP CC1(C)OC[C@H](C[NH2+][C@@H]2CCn3cc[nH+]c3C2)O1 ZINC000893707465 614839316 /nfs/dbraw/zinc/83/93/16/614839316.db2.gz UFCPRGUZIHMDAL-MNOVXSKESA-N 2 2 251.330 0.939 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000876966148 614860159 /nfs/dbraw/zinc/86/01/59/614860159.db2.gz NWYSRCJCTJYXGI-RWMBFGLXSA-N 2 2 281.400 0.293 20 0 CCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000866193642 614864329 /nfs/dbraw/zinc/86/43/29/614864329.db2.gz OBXBEROXIDMNCE-JQWIXIFHSA-N 2 2 266.345 0.243 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000866193642 614864331 /nfs/dbraw/zinc/86/43/31/614864331.db2.gz OBXBEROXIDMNCE-JQWIXIFHSA-N 2 2 266.345 0.243 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC2=C(CCC(=O)N2)C1 ZINC000852295195 614866634 /nfs/dbraw/zinc/86/66/34/614866634.db2.gz BCGVQRMRFJZMRI-LBPRGKRZSA-N 2 2 267.373 0.169 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC2=C(CCC(=O)N2)C1 ZINC000852295195 614866638 /nfs/dbraw/zinc/86/66/38/614866638.db2.gz BCGVQRMRFJZMRI-LBPRGKRZSA-N 2 2 267.373 0.169 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852295195 614866640 /nfs/dbraw/zinc/86/66/40/614866640.db2.gz BCGVQRMRFJZMRI-LBPRGKRZSA-N 2 2 267.373 0.169 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852295195 614866642 /nfs/dbraw/zinc/86/66/42/614866642.db2.gz BCGVQRMRFJZMRI-LBPRGKRZSA-N 2 2 267.373 0.169 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000877434058 614886883 /nfs/dbraw/zinc/88/68/83/614886883.db2.gz MRKZFNDFFCXSRP-STQMWFEESA-N 2 2 271.405 0.602 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000877434058 614886884 /nfs/dbraw/zinc/88/68/84/614886884.db2.gz MRKZFNDFFCXSRP-STQMWFEESA-N 2 2 271.405 0.602 20 0 CCADLP CC1([NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC000903920952 614926512 /nfs/dbraw/zinc/92/65/12/614926512.db2.gz YRUWPIKUHUIDEA-LBPRGKRZSA-N 3 2 278.404 0.434 20 0 CCADLP CCN(CC)C(=O)C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000134194896 614979068 /nfs/dbraw/zinc/97/90/68/614979068.db2.gz LRATXXGARSYXQA-NEPJUHHUSA-N 2 2 257.378 0.211 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC000907935752 615001071 /nfs/dbraw/zinc/00/10/71/615001071.db2.gz USZQBAMOQDACPU-LLVKDONJSA-N 2 2 268.361 0.161 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)[NH2+]C[C@@H](O)c1ccccn1 ZINC000853111497 615001939 /nfs/dbraw/zinc/00/19/39/615001939.db2.gz WTFVMYORQAXZAP-UKRRQHHQSA-N 2 2 281.400 0.797 20 0 CCADLP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000866181720 615002923 /nfs/dbraw/zinc/00/29/23/615002923.db2.gz FZXFAQHXKXJWFG-AAEUAGOBSA-N 2 2 280.372 0.633 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000799123620 615004936 /nfs/dbraw/zinc/00/49/36/615004936.db2.gz DESYIBXQYIWHLK-NEPJUHHUSA-N 2 2 267.373 0.455 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000799123620 615004937 /nfs/dbraw/zinc/00/49/37/615004937.db2.gz DESYIBXQYIWHLK-NEPJUHHUSA-N 2 2 267.373 0.455 20 0 CCADLP CCNC(=O)C[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887130999 615047862 /nfs/dbraw/zinc/04/78/62/615047862.db2.gz PGNAPYGIROEEAZ-LBPRGKRZSA-N 2 2 262.357 0.728 20 0 CCADLP CCNC(=O)C[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887130999 615047864 /nfs/dbraw/zinc/04/78/64/615047864.db2.gz PGNAPYGIROEEAZ-LBPRGKRZSA-N 2 2 262.357 0.728 20 0 CCADLP CCNC(=O)N1CC[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925589157 615056589 /nfs/dbraw/zinc/05/65/89/615056589.db2.gz VTOXTKIVNVIDHE-RYUDHWBXSA-N 2 2 266.389 0.664 20 0 CCADLP CCN(OC)C(=O)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000848919769 615075711 /nfs/dbraw/zinc/07/57/11/615075711.db2.gz RRMOFAKEHYQPHA-CYBMUJFWSA-N 2 2 285.388 0.239 20 0 CCADLP CCN(OC)C(=O)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000848918848 615075757 /nfs/dbraw/zinc/07/57/57/615075757.db2.gz AMELVLXQHOYIBC-AWEZNQCLSA-N 2 2 299.415 0.629 20 0 CCADLP CCN1C(=O)CN(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C1=O ZINC000129249976 615078997 /nfs/dbraw/zinc/07/89/97/615078997.db2.gz BNXNXTLDJQNKEN-OLZOCXBDSA-N 2 2 294.399 0.644 20 0 CCADLP CCN1C(=O)CN(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C1=O ZINC000129249976 615078999 /nfs/dbraw/zinc/07/89/99/615078999.db2.gz BNXNXTLDJQNKEN-OLZOCXBDSA-N 2 2 294.399 0.644 20 0 CCADLP CCN1C(=O)CN(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)C1=O ZINC000129249976 615079001 /nfs/dbraw/zinc/07/90/01/615079001.db2.gz BNXNXTLDJQNKEN-OLZOCXBDSA-N 2 2 294.399 0.644 20 0 CCADLP CCN1C(=O)CN(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)C1=O ZINC000129249976 615079002 /nfs/dbraw/zinc/07/90/02/615079002.db2.gz BNXNXTLDJQNKEN-OLZOCXBDSA-N 2 2 294.399 0.644 20 0 CCADLP CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC000979409065 615109877 /nfs/dbraw/zinc/10/98/77/615109877.db2.gz QSYSHBHGYOSNLO-JQWIXIFHSA-N 2 2 266.345 0.178 20 0 CCADLP CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CCO1 ZINC000979371816 615129865 /nfs/dbraw/zinc/12/98/65/615129865.db2.gz LQISRITWNVHRIJ-OLZOCXBDSA-N 2 2 294.399 0.578 20 0 CCADLP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925547335 615162415 /nfs/dbraw/zinc/16/24/15/615162415.db2.gz NKCCRCWCJAHPGK-RBSFLKMASA-N 3 2 268.449 0.743 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)OCCCn2cc[nH+]c2C)C1 ZINC000805470289 615172271 /nfs/dbraw/zinc/17/22/71/615172271.db2.gz OQVUCDCAPDFVIU-CYBMUJFWSA-N 2 2 281.356 0.846 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)OCCCn2cc[nH+]c2C)C1 ZINC000805470289 615172273 /nfs/dbraw/zinc/17/22/73/615172273.db2.gz OQVUCDCAPDFVIU-CYBMUJFWSA-N 2 2 281.356 0.846 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000883056722 615249028 /nfs/dbraw/zinc/24/90/28/615249028.db2.gz TVCFIUFBUXFFQN-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000883056722 615249029 /nfs/dbraw/zinc/24/90/29/615249029.db2.gz TVCFIUFBUXFFQN-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000876718197 615254329 /nfs/dbraw/zinc/25/43/29/615254329.db2.gz NFGHVJRHIDDJMT-ZBFHGGJFSA-N 2 2 295.427 0.699 20 0 CCADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)C1 ZINC000821254634 615272020 /nfs/dbraw/zinc/27/20/20/615272020.db2.gz NSKFLNZDHGQDAZ-SNVBAGLBSA-N 2 2 276.344 0.891 20 0 CCADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)C1 ZINC000821254634 615272023 /nfs/dbraw/zinc/27/20/23/615272023.db2.gz NSKFLNZDHGQDAZ-SNVBAGLBSA-N 2 2 276.344 0.891 20 0 CCADLP CCOCCOCC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000930902251 615272222 /nfs/dbraw/zinc/27/22/22/615272222.db2.gz CDILMKYTEXMNJV-CQSZACIVSA-N 2 2 274.405 0.428 20 0 CCADLP CCOCCOCC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000930902251 615272225 /nfs/dbraw/zinc/27/22/25/615272225.db2.gz CDILMKYTEXMNJV-CQSZACIVSA-N 2 2 274.405 0.428 20 0 CCADLP CCOCCOCC[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000925875582 615283045 /nfs/dbraw/zinc/28/30/45/615283045.db2.gz UZYKWIWFNSLFMV-CHWSQXEVSA-N 2 2 260.378 0.396 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000922156167 615309200 /nfs/dbraw/zinc/30/92/00/615309200.db2.gz LJJVNXFETNHCPM-ZVHGMHCTSA-N 2 2 281.400 0.475 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000922156167 615309203 /nfs/dbraw/zinc/30/92/03/615309203.db2.gz LJJVNXFETNHCPM-ZVHGMHCTSA-N 2 2 281.400 0.475 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000883271508 615317096 /nfs/dbraw/zinc/31/70/96/615317096.db2.gz OHADMWGRKPIJFU-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000883271508 615317098 /nfs/dbraw/zinc/31/70/98/615317098.db2.gz OHADMWGRKPIJFU-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP CC[NH+]1CC[C@H]1CNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000883271508 615317100 /nfs/dbraw/zinc/31/71/00/615317100.db2.gz OHADMWGRKPIJFU-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP CC[NH+]1CC[C@H]1CNC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000883271508 615317101 /nfs/dbraw/zinc/31/71/01/615317101.db2.gz OHADMWGRKPIJFU-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]1C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000931067908 615320630 /nfs/dbraw/zinc/32/06/30/615320630.db2.gz URHZCEZPAYNIGV-NWANDNLSSA-N 2 2 296.411 0.717 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]1C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000931067908 615320632 /nfs/dbraw/zinc/32/06/32/615320632.db2.gz URHZCEZPAYNIGV-NWANDNLSSA-N 2 2 296.411 0.717 20 0 CCADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925778157 615326302 /nfs/dbraw/zinc/32/63/02/615326302.db2.gz RNOFBZKVHQEVRU-OUAUKWLOSA-N 2 2 291.342 0.114 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCC1([NH3+])CCCC1 ZINC000854223562 615327280 /nfs/dbraw/zinc/32/72/80/615327280.db2.gz RZLGQHUFYNNBHX-GHMZBOCLSA-N 2 2 255.362 0.141 20 0 CCADLP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925778154 615327671 /nfs/dbraw/zinc/32/76/71/615327671.db2.gz RNOFBZKVHQEVRU-GMTAPVOTSA-N 2 2 291.342 0.114 20 0 CCADLP CCON(C)C(=O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858184897 615337870 /nfs/dbraw/zinc/33/78/70/615337870.db2.gz WFGTYRLGTGDLCQ-NSHDSACASA-N 2 2 257.378 0.859 20 0 CCADLP CCON(C)C(=O)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858184897 615337872 /nfs/dbraw/zinc/33/78/72/615337872.db2.gz WFGTYRLGTGDLCQ-NSHDSACASA-N 2 2 257.378 0.859 20 0 CCADLP CC[C@@H](C(=O)N[C@@H]1CC[NH2+]C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911699808 615384180 /nfs/dbraw/zinc/38/41/80/615384180.db2.gz VAHYTNVEJIVJFQ-UPJWGTAASA-N 2 2 269.389 0.354 20 0 CCADLP CC[C@@H](C(=O)N[C@@H]1CC[NH2+]C1)[N@H+]1CCO[C@H](CC)C1 ZINC000911699808 615384181 /nfs/dbraw/zinc/38/41/81/615384181.db2.gz VAHYTNVEJIVJFQ-UPJWGTAASA-N 2 2 269.389 0.354 20 0 CCADLP CCO[C@@H](C[NH2+]C[C@H]1COC(C)(C)O1)C[NH+](C)C ZINC000896878056 615410008 /nfs/dbraw/zinc/41/00/08/615410008.db2.gz OIQGCSMYRWICQX-RYUDHWBXSA-N 2 2 260.378 0.694 20 0 CCADLP CCO[C@@H](C[NH2+]C[C@@H](O)C1(O)CCCC1)C[NH+](C)C ZINC000905579761 615410035 /nfs/dbraw/zinc/41/00/35/615410035.db2.gz KYHUPUDSZMMFJO-QWHCGFSZSA-N 2 2 274.405 0.209 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000914392194 615478331 /nfs/dbraw/zinc/47/83/31/615478331.db2.gz VMSMGSXDLBFJGU-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000914392194 615478333 /nfs/dbraw/zinc/47/83/33/615478333.db2.gz VMSMGSXDLBFJGU-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1C(=O)N(CC)CC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903464114 615548905 /nfs/dbraw/zinc/54/89/05/615548905.db2.gz ZXLFQKGGYILXRR-FRRDWIJNSA-N 2 2 253.390 0.785 20 0 CCADLP CC[C@@H]1C(=O)N(CC)CC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903464114 615548906 /nfs/dbraw/zinc/54/89/06/615548906.db2.gz ZXLFQKGGYILXRR-FRRDWIJNSA-N 2 2 253.390 0.785 20 0 CCADLP CC[C@H](C(=O)NCCC[NH2+]C)[N@@H+]1CCO[C@H](CC)C1 ZINC000911675773 615565115 /nfs/dbraw/zinc/56/51/15/615565115.db2.gz FRHPUEUYSYSEQV-CHWSQXEVSA-N 2 2 271.405 0.602 20 0 CCADLP CC[C@H](C(=O)NCCC[NH2+]C)[N@H+]1CCO[C@H](CC)C1 ZINC000911675773 615565116 /nfs/dbraw/zinc/56/51/16/615565116.db2.gz FRHPUEUYSYSEQV-CHWSQXEVSA-N 2 2 271.405 0.602 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C1CC[NH2+]CC1 ZINC000877432255 615566887 /nfs/dbraw/zinc/56/68/87/615566887.db2.gz CESBSASUGINUOM-CYBMUJFWSA-N 2 2 269.389 0.213 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C1CC[NH2+]CC1 ZINC000877432255 615566888 /nfs/dbraw/zinc/56/68/88/615566888.db2.gz CESBSASUGINUOM-CYBMUJFWSA-N 2 2 269.389 0.213 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)CC[N@@H+]1C ZINC000913458965 615584522 /nfs/dbraw/zinc/58/45/22/615584522.db2.gz YXYDOQZMYVEDBI-BFHYXJOUSA-N 2 2 291.399 0.613 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)CC[N@H+]1C ZINC000913458965 615584523 /nfs/dbraw/zinc/58/45/23/615584523.db2.gz YXYDOQZMYVEDBI-BFHYXJOUSA-N 2 2 291.399 0.613 20 0 CCADLP CC[C@@](C)(O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932621033 615591585 /nfs/dbraw/zinc/59/15/85/615591585.db2.gz FANDEEWYLMMACK-IUODEOHRSA-N 2 2 283.416 0.432 20 0 CCADLP CC[C@@](C)(O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932621033 615591586 /nfs/dbraw/zinc/59/15/86/615591586.db2.gz FANDEEWYLMMACK-IUODEOHRSA-N 2 2 283.416 0.432 20 0 CCADLP CCn1c[nH+]c2c1CCN(C[C@H](O)C[N@H+](C)C(C)C)C2 ZINC000933254977 615629980 /nfs/dbraw/zinc/62/99/80/615629980.db2.gz GKUWMAFRBZDVSU-CYBMUJFWSA-N 2 2 280.416 0.962 20 0 CCADLP CCn1c[nH+]c2c1CCN(C[C@H](O)C[N@@H+](C)C(C)C)C2 ZINC000933254977 615629982 /nfs/dbraw/zinc/62/99/82/615629982.db2.gz GKUWMAFRBZDVSU-CYBMUJFWSA-N 2 2 280.416 0.962 20 0 CCADLP CC[C@H](C)[N@H+](C)CCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865126824 615667972 /nfs/dbraw/zinc/66/79/72/615667972.db2.gz VYMSHFMAXMXZDN-GXMNPTEKSA-N 2 2 283.416 0.721 20 0 CCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865126824 615667973 /nfs/dbraw/zinc/66/79/73/615667973.db2.gz VYMSHFMAXMXZDN-GXMNPTEKSA-N 2 2 283.416 0.721 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000928645253 615714920 /nfs/dbraw/zinc/71/49/20/615714920.db2.gz DFEUWOWZOUXZSN-ZIAGYGMSSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000928645253 615714921 /nfs/dbraw/zinc/71/49/21/615714921.db2.gz DFEUWOWZOUXZSN-ZIAGYGMSSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925679788 615727781 /nfs/dbraw/zinc/72/77/81/615727781.db2.gz FEGXMCCIVXXBOU-VXGBXAGGSA-N 2 2 289.445 0.579 20 0 CCADLP C[NH+](C)C1(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000779215186 615843396 /nfs/dbraw/zinc/84/33/96/615843396.db2.gz JOMDGAZQCNHURM-LLVKDONJSA-N 2 2 262.357 0.798 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](CC[C@H]2COC(C)(C)O2)CC1 ZINC000851726747 615863699 /nfs/dbraw/zinc/86/36/99/615863699.db2.gz VMFDVKJWJMWTTR-ZDUSSCGKSA-N 2 2 299.415 0.234 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H]2CC3(CCC3)CO2)CC1 ZINC000877958625 615864148 /nfs/dbraw/zinc/86/41/48/615864148.db2.gz OHWBYWMOFGFOIZ-AWEZNQCLSA-N 2 2 295.427 0.651 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@](C)(O)C1CCC1 ZINC000855414680 615879190 /nfs/dbraw/zinc/87/91/90/615879190.db2.gz JIPKTYXDJJJZNB-OAHLLOKOSA-N 2 2 285.432 0.537 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@](C)(O)C1CCC1 ZINC000855414680 615879192 /nfs/dbraw/zinc/87/91/92/615879192.db2.gz JIPKTYXDJJJZNB-OAHLLOKOSA-N 2 2 285.432 0.537 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H](O)c1ccccn1 ZINC000855414391 615879463 /nfs/dbraw/zinc/87/94/63/615879463.db2.gz CPCZDUPHACNJPV-AWEZNQCLSA-N 2 2 294.399 0.115 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H](O)c1ccccn1 ZINC000855414391 615879465 /nfs/dbraw/zinc/87/94/65/615879465.db2.gz CPCZDUPHACNJPV-AWEZNQCLSA-N 2 2 294.399 0.115 20 0 CCADLP CC[C@@H](C(=O)N1CC[C@@H]([NH3+])C1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000911652408 615917107 /nfs/dbraw/zinc/91/71/07/615917107.db2.gz RBMLLBLAEFDAMV-AGIUHOORSA-N 2 2 269.389 0.435 20 0 CCADLP CC[C@@H](C(=O)N1CC[C@@H]([NH3+])C1)[N@H+]1CCO[C@@H](CC)C1 ZINC000911652408 615917109 /nfs/dbraw/zinc/91/71/09/615917109.db2.gz RBMLLBLAEFDAMV-AGIUHOORSA-N 2 2 269.389 0.435 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NC1CC[NH+](C)CC1 ZINC000874998242 615924087 /nfs/dbraw/zinc/92/40/87/615924087.db2.gz ALDGMRCJQFLCFR-AWEZNQCLSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NC1CC[NH+](C)CC1 ZINC000874998242 615924092 /nfs/dbraw/zinc/92/40/92/615924092.db2.gz ALDGMRCJQFLCFR-AWEZNQCLSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865161654 615926345 /nfs/dbraw/zinc/92/63/45/615926345.db2.gz OJUMFVWGZBLTMK-CMPLNLGQSA-N 2 2 266.345 0.386 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNc1nc(N)cc(C)[nH+]1 ZINC000895087235 615929616 /nfs/dbraw/zinc/92/96/16/615929616.db2.gz HPPIJFCZOSAWQN-NSHDSACASA-N 2 2 265.361 0.890 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNc1nc(N)cc(C)[nH+]1 ZINC000895087235 615929619 /nfs/dbraw/zinc/92/96/19/615929619.db2.gz HPPIJFCZOSAWQN-NSHDSACASA-N 2 2 265.361 0.890 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H](O)COc3ccccc3)C[C@H]21 ZINC000931284109 615998514 /nfs/dbraw/zinc/99/85/14/615998514.db2.gz PXODRXOWEBHYBN-ARLBYUKCSA-N 2 2 276.380 0.918 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H](O)COc3ccccc3)C[C@H]21 ZINC000931284109 615998516 /nfs/dbraw/zinc/99/85/16/615998516.db2.gz PXODRXOWEBHYBN-ARLBYUKCSA-N 2 2 276.380 0.918 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H](O)CC3(O)CCCC3)C[C@H]21 ZINC000931276024 615998591 /nfs/dbraw/zinc/99/85/91/615998591.db2.gz DEKLVVFOZHINCA-MQYQWHSLSA-N 2 2 268.401 0.534 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H](O)CC3(O)CCCC3)C[C@H]21 ZINC000931276024 615998594 /nfs/dbraw/zinc/99/85/94/615998594.db2.gz DEKLVVFOZHINCA-MQYQWHSLSA-N 2 2 268.401 0.534 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+]([C@@H]3C[C@@H]4CCCC[C@H]4NC3=O)C[C@H]21 ZINC000931277707 615998878 /nfs/dbraw/zinc/99/88/78/615998878.db2.gz NMZSOFCWNUVZPN-BBZRCZKMSA-N 2 2 277.412 0.926 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+]([C@@H]3C[C@@H]4CCCC[C@H]4NC3=O)C[C@H]21 ZINC000931277707 615998881 /nfs/dbraw/zinc/99/88/81/615998881.db2.gz NMZSOFCWNUVZPN-BBZRCZKMSA-N 2 2 277.412 0.926 20 0 CCADLP CCc1[nH]c(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1C(=O)OC ZINC000894468884 616024741 /nfs/dbraw/zinc/02/47/41/616024741.db2.gz GUBWHBHNTAWEQP-OAHLLOKOSA-N 2 2 295.383 0.520 20 0 CCADLP CCc1[nH]c(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1C(=O)OC ZINC000894468884 616024742 /nfs/dbraw/zinc/02/47/42/616024742.db2.gz GUBWHBHNTAWEQP-OAHLLOKOSA-N 2 2 295.383 0.520 20 0 CCADLP CN(C)c1cc[nH+]c(NCC[N@@H+]2CC[C@H](O)C2)n1 ZINC000858867573 616029718 /nfs/dbraw/zinc/02/97/18/616029718.db2.gz PWDXLAKHHZQFLO-JTQLQIEISA-N 2 2 251.334 0.021 20 0 CCADLP C[N@H+](CCO)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000972305101 616110959 /nfs/dbraw/zinc/11/09/59/616110959.db2.gz TXLVVJOLIGSMFA-NEPJUHHUSA-N 2 2 292.383 0.355 20 0 CCADLP C[N@@H+](CCO)[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000972305101 616110961 /nfs/dbraw/zinc/11/09/61/616110961.db2.gz TXLVVJOLIGSMFA-NEPJUHHUSA-N 2 2 292.383 0.355 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H](O)c1cccc(F)c1)C1CC1 ZINC000843068225 616131402 /nfs/dbraw/zinc/13/14/02/616131402.db2.gz FVTFEUBFRAQBMJ-LSDHHAIUSA-N 2 2 282.359 0.904 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H](O)c1cccc(F)c1)C1CC1 ZINC000843068225 616131404 /nfs/dbraw/zinc/13/14/04/616131404.db2.gz FVTFEUBFRAQBMJ-LSDHHAIUSA-N 2 2 282.359 0.904 20 0 CCADLP C[N@H+](C[C@@H]1CCOC1)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972424819 616144946 /nfs/dbraw/zinc/14/49/46/616144946.db2.gz CPINVKARXCJXQF-JSGCOSHPSA-N 2 2 292.383 0.521 20 0 CCADLP C[N@@H+](C[C@@H]1CCOC1)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972424819 616144947 /nfs/dbraw/zinc/14/49/47/616144947.db2.gz CPINVKARXCJXQF-JSGCOSHPSA-N 2 2 292.383 0.521 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC000898722003 616163620 /nfs/dbraw/zinc/16/36/20/616163620.db2.gz SOFZOKIFULIEKW-AWEZNQCLSA-N 2 2 291.399 0.810 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC000898722003 616163622 /nfs/dbraw/zinc/16/36/22/616163622.db2.gz SOFZOKIFULIEKW-AWEZNQCLSA-N 2 2 291.399 0.810 20 0 CCADLP C[NH+]1CCC(CCO)(NC(=O)CNc2cccc[nH+]2)CC1 ZINC000901347153 616168393 /nfs/dbraw/zinc/16/83/93/616168393.db2.gz UFXHNHVWONOCSD-UHFFFAOYSA-N 2 2 292.383 0.457 20 0 CCADLP C[N@@H+]1CCCC[C@H](CNC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000869416714 616181695 /nfs/dbraw/zinc/18/16/95/616181695.db2.gz RRWPSMPHPIJJTR-ZDTYVGOBSA-N 2 2 295.427 0.723 20 0 CCADLP C[N@H+]1CCCC[C@H](CNC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000869416714 616181696 /nfs/dbraw/zinc/18/16/96/616181696.db2.gz RRWPSMPHPIJJTR-ZDTYVGOBSA-N 2 2 295.427 0.723 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615548410 616191680 /nfs/dbraw/zinc/19/16/80/616191680.db2.gz OUIRZJAIDYONBC-ZIAGYGMSSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615548410 616191681 /nfs/dbraw/zinc/19/16/81/616191681.db2.gz OUIRZJAIDYONBC-ZIAGYGMSSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1CS(N)(=O)=O ZINC000931229041 616195249 /nfs/dbraw/zinc/19/52/49/616195249.db2.gz JEESATIGAPTFBI-OLZOCXBDSA-N 2 2 289.445 0.614 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1CS(N)(=O)=O ZINC000931229041 616195250 /nfs/dbraw/zinc/19/52/50/616195250.db2.gz JEESATIGAPTFBI-OLZOCXBDSA-N 2 2 289.445 0.614 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@H]1CS(N)(=O)=O ZINC000931229041 616195251 /nfs/dbraw/zinc/19/52/51/616195251.db2.gz JEESATIGAPTFBI-OLZOCXBDSA-N 2 2 289.445 0.614 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@H]1CS(N)(=O)=O ZINC000931229041 616195252 /nfs/dbraw/zinc/19/52/52/616195252.db2.gz JEESATIGAPTFBI-OLZOCXBDSA-N 2 2 289.445 0.614 20 0 CCADLP C[N@@H+]1CCC[C@@](O)(CC(=O)NCC(C)(C)n2cc[nH+]c2)C1 ZINC000912613743 616201651 /nfs/dbraw/zinc/20/16/51/616201651.db2.gz AGICNDJUVMVCLL-OAHLLOKOSA-N 2 2 294.399 0.581 20 0 CCADLP C[N@H+]1CCC[C@@](O)(CC(=O)NCC(C)(C)n2cc[nH+]c2)C1 ZINC000912613743 616201652 /nfs/dbraw/zinc/20/16/52/616201652.db2.gz AGICNDJUVMVCLL-OAHLLOKOSA-N 2 2 294.399 0.581 20 0 CCADLP C[N@@H+]1CCC[C@H](CCNC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000868850395 616204210 /nfs/dbraw/zinc/20/42/10/616204210.db2.gz TUBWQZOULXKIBX-UYWPIULCSA-N 2 2 295.427 0.723 20 0 CCADLP C[N@H+]1CCC[C@H](CCNC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000868850395 616204211 /nfs/dbraw/zinc/20/42/11/616204211.db2.gz TUBWQZOULXKIBX-UYWPIULCSA-N 2 2 295.427 0.723 20 0 CCADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCC(=O)NC(N)=O ZINC000880130447 616217003 /nfs/dbraw/zinc/21/70/03/616217003.db2.gz FPVAAEZOWLIXPK-MNOVXSKESA-N 2 2 268.361 0.130 20 0 CCADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCC(=O)NC(N)=O ZINC000880130447 616217004 /nfs/dbraw/zinc/21/70/04/616217004.db2.gz FPVAAEZOWLIXPK-MNOVXSKESA-N 2 2 268.361 0.130 20 0 CCADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCCC(=O)NC(N)=O ZINC000880130447 616217005 /nfs/dbraw/zinc/21/70/05/616217005.db2.gz FPVAAEZOWLIXPK-MNOVXSKESA-N 2 2 268.361 0.130 20 0 CCADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCCC(=O)NC(N)=O ZINC000880130447 616217006 /nfs/dbraw/zinc/21/70/06/616217006.db2.gz FPVAAEZOWLIXPK-MNOVXSKESA-N 2 2 268.361 0.130 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cnn(C3CCC3)c2)CC1 ZINC000921608937 616223557 /nfs/dbraw/zinc/22/35/57/616223557.db2.gz LILZSEWOWKREHP-UHFFFAOYSA-N 2 2 291.399 0.472 20 0 CCADLP CN(C)c1cc(NCCN2CC[NH+](C)CC2)nc[nH+]1 ZINC000891620215 616241961 /nfs/dbraw/zinc/24/19/61/616241961.db2.gz RTXNGTXFSLXMBD-UHFFFAOYSA-N 2 2 264.377 0.202 20 0 CCADLP COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)[C@H](C)C1 ZINC000933170675 616307567 /nfs/dbraw/zinc/30/75/67/616307567.db2.gz TZPDKAZMDUESET-BZPMIXESSA-N 2 2 284.400 0.715 20 0 CCADLP COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)[C@H](C)C1 ZINC000933170675 616307571 /nfs/dbraw/zinc/30/75/71/616307571.db2.gz TZPDKAZMDUESET-BZPMIXESSA-N 2 2 284.400 0.715 20 0 CCADLP COC(=O)[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)[C@H](C)C1 ZINC000933170675 616307572 /nfs/dbraw/zinc/30/75/72/616307572.db2.gz TZPDKAZMDUESET-BZPMIXESSA-N 2 2 284.400 0.715 20 0 CCADLP COC(=O)[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)[C@H](C)C1 ZINC000933170675 616307576 /nfs/dbraw/zinc/30/75/76/616307576.db2.gz TZPDKAZMDUESET-BZPMIXESSA-N 2 2 284.400 0.715 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)CCn3cc[nH+]c3)CC[C@H]21 ZINC000882501219 616335943 /nfs/dbraw/zinc/33/59/43/616335943.db2.gz NUSLRVVSMWTNPE-CHWSQXEVSA-N 2 2 298.412 0.239 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(S(=O)(=O)CCn3cc[nH+]c3)CC[C@H]21 ZINC000882501219 616335947 /nfs/dbraw/zinc/33/59/47/616335947.db2.gz NUSLRVVSMWTNPE-CHWSQXEVSA-N 2 2 298.412 0.239 20 0 CCADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCCCn2cc[nH+]c2)C1 ZINC000891426012 616355245 /nfs/dbraw/zinc/35/52/45/616355245.db2.gz HGLZBSKZWPCSHD-STQMWFEESA-N 2 2 277.372 0.619 20 0 CCADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NCCCn2cc[nH+]c2)C1 ZINC000891426012 616355249 /nfs/dbraw/zinc/35/52/49/616355249.db2.gz HGLZBSKZWPCSHD-STQMWFEESA-N 2 2 277.372 0.619 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)NC[C@@H]2CC[NH+]2C)C[C@H]1C ZINC000925405366 616360845 /nfs/dbraw/zinc/36/08/45/616360845.db2.gz GANSLMZOEQFHGM-OLZOCXBDSA-N 2 2 284.404 0.053 20 0 CCADLP COCC[N@H+]1CCN(C(=O)NC[C@@H]2CC[NH+]2C)C[C@H]1C ZINC000925405366 616360848 /nfs/dbraw/zinc/36/08/48/616360848.db2.gz GANSLMZOEQFHGM-OLZOCXBDSA-N 2 2 284.404 0.053 20 0 CCADLP COCC[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C)C[C@H]1C ZINC000925405366 616360851 /nfs/dbraw/zinc/36/08/51/616360851.db2.gz GANSLMZOEQFHGM-OLZOCXBDSA-N 2 2 284.404 0.053 20 0 CCADLP COCC[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C)C[C@H]1C ZINC000925405366 616360854 /nfs/dbraw/zinc/36/08/54/616360854.db2.gz GANSLMZOEQFHGM-OLZOCXBDSA-N 2 2 284.404 0.053 20 0 CCADLP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1nnnn1CC1CC1 ZINC000926200470 616364370 /nfs/dbraw/zinc/36/43/70/616364370.db2.gz UDBXWZRGYLQDFQ-ONXXMXGDSA-N 2 2 276.388 0.513 20 0 CCADLP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1nnnn1CC1CC1 ZINC000926200470 616364371 /nfs/dbraw/zinc/36/43/71/616364371.db2.gz UDBXWZRGYLQDFQ-ONXXMXGDSA-N 2 2 276.388 0.513 20 0 CCADLP COC(=O)[C@H]1CN(c2cc(N(C)C)[nH+]cn2)CC[N@H+](C)C1 ZINC000894189349 616388054 /nfs/dbraw/zinc/38/80/54/616388054.db2.gz GAQFRCPKSODSHX-LLVKDONJSA-N 2 2 293.371 0.084 20 0 CCADLP COC(=O)[C@H]1CN(c2cc(N(C)C)[nH+]cn2)CC[N@@H+](C)C1 ZINC000894189349 616388058 /nfs/dbraw/zinc/38/80/58/616388058.db2.gz GAQFRCPKSODSHX-LLVKDONJSA-N 2 2 293.371 0.084 20 0 CCADLP C[N@@H+]1C[C@]2(C)C[NH+](CCN3CCCC3=O)C[C@]2(C)C1 ZINC000931308085 616395045 /nfs/dbraw/zinc/39/50/45/616395045.db2.gz RKDGLNJBVGTNQS-GASCZTMLSA-N 2 2 265.401 0.882 20 0 CCADLP C[N@H+]1C[C@]2(C)C[NH+](CCN3CCCC3=O)C[C@]2(C)C1 ZINC000931308085 616395048 /nfs/dbraw/zinc/39/50/48/616395048.db2.gz RKDGLNJBVGTNQS-GASCZTMLSA-N 2 2 265.401 0.882 20 0 CCADLP C[NH+]1C[C@]2(C)C[N@H+](CCN3CCCC3=O)C[C@]2(C)C1 ZINC000931308085 616395051 /nfs/dbraw/zinc/39/50/51/616395051.db2.gz RKDGLNJBVGTNQS-GASCZTMLSA-N 2 2 265.401 0.882 20 0 CCADLP C[NH+]1C[C@]2(C)C[N@@H+](CCN3CCCC3=O)C[C@]2(C)C1 ZINC000931308085 616395055 /nfs/dbraw/zinc/39/50/55/616395055.db2.gz RKDGLNJBVGTNQS-GASCZTMLSA-N 2 2 265.401 0.882 20 0 CCADLP COC/C=C\C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000865727703 616402351 /nfs/dbraw/zinc/40/23/51/616402351.db2.gz FUIFHZPVXWZVDK-FOSCPCJNSA-N 2 2 295.427 0.816 20 0 CCADLP COC/C=C\C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000865727703 616402355 /nfs/dbraw/zinc/40/23/55/616402355.db2.gz FUIFHZPVXWZVDK-FOSCPCJNSA-N 2 2 295.427 0.816 20 0 CCADLP C[N@@H+]1CC[C@H]1CNS(=O)(=O)C[C@@]12CC[NH+](C1)CCC2 ZINC000921411017 616431624 /nfs/dbraw/zinc/43/16/24/616431624.db2.gz JMKWYEMQLYFPHG-STQMWFEESA-N 2 2 287.429 0.096 20 0 CCADLP C[N@H+]1CC[C@H]1CNS(=O)(=O)C[C@@]12CC[NH+](C1)CCC2 ZINC000921411017 616431626 /nfs/dbraw/zinc/43/16/26/616431626.db2.gz JMKWYEMQLYFPHG-STQMWFEESA-N 2 2 287.429 0.096 20 0 CCADLP C[NH+]1CC[C@H]1CNS(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2 ZINC000921411017 616431631 /nfs/dbraw/zinc/43/16/31/616431631.db2.gz JMKWYEMQLYFPHG-STQMWFEESA-N 2 2 287.429 0.096 20 0 CCADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000900705953 616496089 /nfs/dbraw/zinc/49/60/89/616496089.db2.gz AWIYEBCMVLSHCH-UKRRQHHQSA-N 2 2 281.400 0.138 20 0 CCADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000900705953 616496093 /nfs/dbraw/zinc/49/60/93/616496093.db2.gz AWIYEBCMVLSHCH-UKRRQHHQSA-N 2 2 281.400 0.138 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H]2C[C@H](O)C2)CC1 ZINC000877810990 616530522 /nfs/dbraw/zinc/53/05/22/616530522.db2.gz CKGZCIGPEVHEHO-MQMHXKEQSA-N 2 2 284.400 0.765 20 0 CCADLP COC(=O)C[C@@H]1C[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903753851 616665956 /nfs/dbraw/zinc/66/59/56/616665956.db2.gz YSOCTGZLVGMJRQ-UMVBOHGHSA-N 2 2 298.383 0.019 20 0 CCADLP COC(=O)C[C@@H]1C[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903753851 616665962 /nfs/dbraw/zinc/66/59/62/616665962.db2.gz YSOCTGZLVGMJRQ-UMVBOHGHSA-N 2 2 298.383 0.019 20 0 CCADLP COC(=O)[C@H]1[C@H](C[NH2+]CCn2cc[nH+]c2)C1(F)F ZINC000894148184 616738767 /nfs/dbraw/zinc/73/87/67/616738767.db2.gz WMRNTEQAZYKTNV-DTWKUNHWSA-N 2 2 259.256 0.527 20 0 CCADLP COCCC1([NH2+]Cc2cc(C)n(C)n2)CC[NH2+]CC1 ZINC000873224419 616850656 /nfs/dbraw/zinc/85/06/56/616850656.db2.gz ARIYHIAKJKSYJV-UHFFFAOYSA-N 2 2 266.389 0.977 20 0 CCADLP C[NH2+]CC(=O)NC[C@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000867997757 616937296 /nfs/dbraw/zinc/93/72/96/616937296.db2.gz JDGQPAGNBWIEKX-HNNXBMFYSA-N 2 2 291.395 0.531 20 0 CCADLP C[NH2+]CC(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000867997757 616937298 /nfs/dbraw/zinc/93/72/98/616937298.db2.gz JDGQPAGNBWIEKX-HNNXBMFYSA-N 2 2 291.395 0.531 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCSC[C@H]1C ZINC000934297302 616964421 /nfs/dbraw/zinc/96/44/21/616964421.db2.gz FLFGMJFOVVIWOI-CHWSQXEVSA-N 2 2 276.446 0.753 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCSC[C@H]1C ZINC000934297302 616964426 /nfs/dbraw/zinc/96/44/26/616964426.db2.gz FLFGMJFOVVIWOI-CHWSQXEVSA-N 2 2 276.446 0.753 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCSC[C@H]1C ZINC000934297302 616964428 /nfs/dbraw/zinc/96/44/28/616964428.db2.gz FLFGMJFOVVIWOI-CHWSQXEVSA-N 2 2 276.446 0.753 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCSC[C@H]1C ZINC000934297302 616964432 /nfs/dbraw/zinc/96/44/32/616964432.db2.gz FLFGMJFOVVIWOI-CHWSQXEVSA-N 2 2 276.446 0.753 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCSC[C@@H]1C ZINC000934297304 616964519 /nfs/dbraw/zinc/96/45/19/616964519.db2.gz FLFGMJFOVVIWOI-QWHCGFSZSA-N 2 2 276.446 0.753 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCSC[C@@H]1C ZINC000934297304 616964522 /nfs/dbraw/zinc/96/45/22/616964522.db2.gz FLFGMJFOVVIWOI-QWHCGFSZSA-N 2 2 276.446 0.753 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCSC[C@@H]1C ZINC000934297304 616964526 /nfs/dbraw/zinc/96/45/26/616964526.db2.gz FLFGMJFOVVIWOI-QWHCGFSZSA-N 2 2 276.446 0.753 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCSC[C@@H]1C ZINC000934297304 616964527 /nfs/dbraw/zinc/96/45/27/616964527.db2.gz FLFGMJFOVVIWOI-QWHCGFSZSA-N 2 2 276.446 0.753 20 0 CCADLP C[NH2+]C[C@@H]1CCCC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC000923430896 616979794 /nfs/dbraw/zinc/97/97/94/616979794.db2.gz OTDLCRIYADOUPH-STQMWFEESA-N 2 2 252.362 0.318 20 0 CCADLP C[NH2+]C[C@@H]1CCCC[N@H+]1C[C@H](O)Cn1cccn1 ZINC000923430896 616979798 /nfs/dbraw/zinc/97/97/98/616979798.db2.gz OTDLCRIYADOUPH-STQMWFEESA-N 2 2 252.362 0.318 20 0 CCADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC2([NH3+])CC2)cc1 ZINC000902414844 617039380 /nfs/dbraw/zinc/03/93/80/617039380.db2.gz DNQLONPVFHGEQQ-SNVBAGLBSA-N 2 2 283.397 0.737 20 0 CCADLP COC[C@H](C)C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000895685259 617053981 /nfs/dbraw/zinc/05/39/81/617053981.db2.gz KNUYRRJKDWNALA-HZPDHXFCSA-N 2 2 299.459 0.655 20 0 CCADLP CNc1cc(N2CCC([NH2+]CCO)CC2)nc[nH+]1 ZINC000893024083 617056489 /nfs/dbraw/zinc/05/64/89/617056489.db2.gz XHCQFBPZIPLPSH-UHFFFAOYSA-N 2 2 251.334 0.069 20 0 CCADLP CNc1cc(N2CCC([NH2+]CCO)CC2)[nH+]cn1 ZINC000893024083 617056493 /nfs/dbraw/zinc/05/64/93/617056493.db2.gz XHCQFBPZIPLPSH-UHFFFAOYSA-N 2 2 251.334 0.069 20 0 CCADLP COC[C@H](C)N1CC[NH2+]CC[N@@H+]([C@@H](C)COC)CC1 ZINC000923394586 617067705 /nfs/dbraw/zinc/06/77/05/617067705.db2.gz GXWODEQBTKJGDM-KBPBESRZSA-N 2 2 273.421 0.263 20 0 CCADLP COC[C@H](C)N1CC[NH2+]CC[N@H+]([C@@H](C)COC)CC1 ZINC000923394586 617067709 /nfs/dbraw/zinc/06/77/09/617067709.db2.gz GXWODEQBTKJGDM-KBPBESRZSA-N 2 2 273.421 0.263 20 0 CCADLP CON1CC[C@@H]([N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000930601549 617093146 /nfs/dbraw/zinc/09/31/46/617093146.db2.gz IGTIVBOIAQOEFM-TZMCWYRMSA-N 2 2 267.373 0.566 20 0 CCADLP CON1CC[C@@H]([N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000930601549 617093148 /nfs/dbraw/zinc/09/31/48/617093148.db2.gz IGTIVBOIAQOEFM-TZMCWYRMSA-N 2 2 267.373 0.566 20 0 CCADLP CON1CC[C@@H]([NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)C1=O ZINC000930601549 617093150 /nfs/dbraw/zinc/09/31/50/617093150.db2.gz IGTIVBOIAQOEFM-TZMCWYRMSA-N 2 2 267.373 0.566 20 0 CCADLP CON1CC[C@@H]([NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000930601549 617093151 /nfs/dbraw/zinc/09/31/51/617093151.db2.gz IGTIVBOIAQOEFM-TZMCWYRMSA-N 2 2 267.373 0.566 20 0 CCADLP CON1CC[C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)C1=O ZINC000905762438 617094505 /nfs/dbraw/zinc/09/45/05/617094505.db2.gz SNOMPKZVOIXPSF-GFCCVEGCSA-N 2 2 255.362 0.611 20 0 CCADLP CO[C@@H](C)C[NH+]1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000957900022 617154029 /nfs/dbraw/zinc/15/40/29/617154029.db2.gz ONYICEPXPJAUBR-LBPRGKRZSA-N 2 2 266.345 0.062 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC2(CC1)OCCO2)C1CC1 ZINC000312110382 625372388 /nfs/dbraw/zinc/37/23/88/625372388.db2.gz MBYNOCWBOZSOTO-ZDUSSCGKSA-N 2 2 270.373 0.280 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC2(CC1)OCCO2)C1CC1 ZINC000312110382 625372396 /nfs/dbraw/zinc/37/23/96/625372396.db2.gz MBYNOCWBOZSOTO-ZDUSSCGKSA-N 2 2 270.373 0.280 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]2CC[C@H]([NH2+]CCO)[C@@H]2C1 ZINC001026282071 625387265 /nfs/dbraw/zinc/38/72/65/625387265.db2.gz NHYADZLWGSQYQF-YUTCNCBUSA-N 2 2 292.383 0.161 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1C[C@@H]2CC[C@H]([NH2+]CCO)[C@@H]2C1 ZINC001026282071 625387270 /nfs/dbraw/zinc/38/72/70/625387270.db2.gz NHYADZLWGSQYQF-YUTCNCBUSA-N 2 2 292.383 0.161 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(c2nccn3c[nH+]cc23)[C@H](C)C1 ZINC000893258182 625404623 /nfs/dbraw/zinc/40/46/23/625404623.db2.gz FHUCQWSEDMBBFL-NEPJUHHUSA-N 2 2 275.356 0.621 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(c2nccn3c[nH+]cc23)[C@H](C)C1 ZINC000893258182 625404627 /nfs/dbraw/zinc/40/46/27/625404627.db2.gz FHUCQWSEDMBBFL-NEPJUHHUSA-N 2 2 275.356 0.621 20 0 CCADLP O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001022691580 622658790 /nfs/dbraw/zinc/65/87/90/622658790.db2.gz VOTDTTTWNLDEOE-AXFHLTTASA-N 2 2 278.356 0.059 20 0 CCADLP Cn1nccc1C[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001022889580 622836871 /nfs/dbraw/zinc/83/68/71/622836871.db2.gz PQYASCGKRBXXEA-PHIMTYICSA-N 2 2 288.355 0.123 20 0 CCADLP Cc1cc(N[C@@H](C)C[NH+]2CCOCC2)nc(N)[nH+]1 ZINC000052208428 622881832 /nfs/dbraw/zinc/88/18/32/622881832.db2.gz YFIRHXDDYBPUHW-JTQLQIEISA-N 2 2 251.334 0.500 20 0 CCADLP CC[NH2+]C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001024286519 623272742 /nfs/dbraw/zinc/27/27/42/623272742.db2.gz UNHONVRMXKLHHX-LBPRGKRZSA-N 2 2 250.346 0.731 20 0 CCADLP c1[nH+]cn2ccnc(NCC[N@@H+]3CCCOCC3)c12 ZINC000893382583 625640547 /nfs/dbraw/zinc/64/05/47/625640547.db2.gz JCZBHTSQHUBQAL-UHFFFAOYSA-N 2 2 261.329 0.864 20 0 CCADLP c1[nH+]cn2ccnc(NCC[N@H+]3CCCOCC3)c12 ZINC000893382583 625640549 /nfs/dbraw/zinc/64/05/49/625640549.db2.gz JCZBHTSQHUBQAL-UHFFFAOYSA-N 2 2 261.329 0.864 20 0 CCADLP COCC[C@H]([NH3+])C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000052791696 623480391 /nfs/dbraw/zinc/48/03/91/623480391.db2.gz IKAHNTFEJDUYFK-RYUDHWBXSA-N 2 2 282.388 0.778 20 0 CCADLP Cc1noc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001020025451 623970856 /nfs/dbraw/zinc/97/08/56/623970856.db2.gz PVYJTAUAWJCSIW-IJLUTSLNSA-N 2 2 293.371 0.209 20 0 CCADLP Cc1noc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC001020025451 623970864 /nfs/dbraw/zinc/97/08/64/623970864.db2.gz PVYJTAUAWJCSIW-IJLUTSLNSA-N 2 2 293.371 0.209 20 0 CCADLP Cc1cc(C)c(C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)c(C)[nH+]1 ZINC001020414945 624472168 /nfs/dbraw/zinc/47/21/68/624472168.db2.gz UFUGZNSSJHRZPG-HAQNSBGRSA-N 2 2 290.367 0.343 20 0 CCADLP C[C@@H]([NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1)[C@H]1CCCC[NH2+]1 ZINC000902503891 634394543 /nfs/dbraw/zinc/39/45/43/634394543.db2.gz YOWQEDHTYDUHMB-FRRDWIJNSA-N 2 2 291.399 0.881 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000970103644 624602963 /nfs/dbraw/zinc/60/29/63/624602963.db2.gz RDLCOQBSEWCYAF-CHWSQXEVSA-N 2 2 292.383 0.569 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC001020819424 624606881 /nfs/dbraw/zinc/60/68/81/624606881.db2.gz YTBLJDFGNJNODY-AVGNSLFASA-N 2 2 292.383 0.758 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000970341298 624678616 /nfs/dbraw/zinc/67/86/16/624678616.db2.gz MZUAZECQGSVKJJ-CYBMUJFWSA-N 2 2 285.351 0.738 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)C1C[NH+](CCO)C1 ZINC000970407629 624684191 /nfs/dbraw/zinc/68/41/91/624684191.db2.gz LSPCHWQEKJAOKW-ZYHUDNBSSA-N 2 2 292.383 0.258 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC2(CC1)C[C@@H](O)CCO2)C1CC1 ZINC000933054002 624822922 /nfs/dbraw/zinc/82/29/22/624822922.db2.gz FJYBFBMTCMPSEY-GJZGRUSLSA-N 2 2 298.427 0.447 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC2(CC1)C[C@@H](O)CCO2)C1CC1 ZINC000933054002 624822923 /nfs/dbraw/zinc/82/29/23/624822923.db2.gz FJYBFBMTCMPSEY-GJZGRUSLSA-N 2 2 298.427 0.447 20 0 CCADLP Cc1cc(N)nc(N2CC[NH+](C[C@H]3CCCO3)CC2)[nH+]1 ZINC000891509875 624880665 /nfs/dbraw/zinc/88/06/65/624880665.db2.gz QJOFPBUFLLHAAG-GFCCVEGCSA-N 2 2 277.372 0.668 20 0 CCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCCC[C@H]1C[NH3+] ZINC000891529120 624882700 /nfs/dbraw/zinc/88/27/00/624882700.db2.gz UOXNFJYEOJDWBP-KBPBESRZSA-N 2 2 297.447 0.145 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001022286863 624910953 /nfs/dbraw/zinc/91/09/53/624910953.db2.gz XWOPJHBSVZRXND-JLLWLGSASA-N 2 2 288.351 0.794 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001022311697 624921041 /nfs/dbraw/zinc/92/10/41/624921041.db2.gz WEMRNZSDPHKCIV-QNWHQSFQSA-N 2 2 292.383 0.063 20 0 CCADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891817723 624936266 /nfs/dbraw/zinc/93/62/66/624936266.db2.gz BHHYQBCLTQJQJC-JMSVASOKSA-N 2 2 289.383 0.782 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001022423759 624974315 /nfs/dbraw/zinc/97/43/15/624974315.db2.gz HSYOFPPPUCMGQG-SDDRHHMPSA-N 2 2 288.351 0.566 20 0 CCADLP O=C1O[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)CN1C1CC1 ZINC000925714837 625719451 /nfs/dbraw/zinc/71/94/51/625719451.db2.gz XIZZPLYILAJEPY-VXGBXAGGSA-N 2 2 265.357 0.844 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000977450556 625939221 /nfs/dbraw/zinc/93/92/21/625939221.db2.gz FTIZFKWCIHTPQZ-DGCLKSJQSA-N 2 2 294.399 0.170 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000977450556 625939231 /nfs/dbraw/zinc/93/92/31/625939231.db2.gz FTIZFKWCIHTPQZ-DGCLKSJQSA-N 2 2 294.399 0.170 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[N@H+](CCCO)CC1(C)C ZINC000977453490 625939846 /nfs/dbraw/zinc/93/98/46/625939846.db2.gz MZXKHZKTXYPJEW-ZDUSSCGKSA-N 2 2 294.399 0.172 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[N@@H+](CCCO)CC1(C)C ZINC000977453490 625939864 /nfs/dbraw/zinc/93/98/64/625939864.db2.gz MZXKHZKTXYPJEW-ZDUSSCGKSA-N 2 2 294.399 0.172 20 0 CCADLP c1cn(CCC[NH2+][C@H]2CCO[C@]23CCOC3)c[nH+]1 ZINC000903055404 634529203 /nfs/dbraw/zinc/52/92/03/634529203.db2.gz FDOZAXXNGPGBST-STQMWFEESA-N 2 2 251.330 0.811 20 0 CCADLP O=C1OCCN1CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903481441 634577233 /nfs/dbraw/zinc/57/72/33/634577233.db2.gz BXHXRFVIYOBRSJ-LLVKDONJSA-N 2 2 253.346 0.703 20 0 CCADLP C[C@H]1C[N@H+](Cc2[nH]nc3c2COCC3)CC[C@H]1[NH3+] ZINC000903716837 634628642 /nfs/dbraw/zinc/62/86/42/634628642.db2.gz URLITDZHNXGQIZ-GXSJLCMTSA-N 2 2 250.346 0.652 20 0 CCADLP C[C@H]1C[N@@H+](Cc2[nH]nc3c2COCC3)CC[C@H]1[NH3+] ZINC000903716837 634628645 /nfs/dbraw/zinc/62/86/45/634628645.db2.gz URLITDZHNXGQIZ-GXSJLCMTSA-N 2 2 250.346 0.652 20 0 CCADLP C[C@@H]1CCC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)[C@@H]1C[NH3+] ZINC000903716680 634628710 /nfs/dbraw/zinc/62/87/10/634628710.db2.gz BRHHJXALGCVWFR-LXTVHRRPSA-N 3 2 267.417 0.814 20 0 CCADLP C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)[C@@H]1C[NH3+] ZINC000903716680 634628714 /nfs/dbraw/zinc/62/87/14/634628714.db2.gz BRHHJXALGCVWFR-LXTVHRRPSA-N 3 2 267.417 0.814 20 0 CCADLP FC(F)[C@@H]1C[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903780852 634651117 /nfs/dbraw/zinc/65/11/17/634651117.db2.gz MRYBKGKBCLIJQC-GMXVVIOVSA-N 2 2 276.327 0.721 20 0 CCADLP FC(F)[C@@H]1C[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903780852 634651121 /nfs/dbraw/zinc/65/11/21/634651121.db2.gz MRYBKGKBCLIJQC-GMXVVIOVSA-N 2 2 276.327 0.721 20 0 CCADLP Cn1nccc1[C@@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000903823273 634659008 /nfs/dbraw/zinc/65/90/08/634659008.db2.gz FUDOZBSSOZGMPO-JSGCOSHPSA-N 2 2 292.383 0.172 20 0 CCADLP Cn1nccc1[C@@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000903823273 634659012 /nfs/dbraw/zinc/65/90/12/634659012.db2.gz FUDOZBSSOZGMPO-JSGCOSHPSA-N 2 2 292.383 0.172 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2[C@@H]1CCN(C2CCOCC2)C1=O ZINC000903856502 634669091 /nfs/dbraw/zinc/66/90/91/634669091.db2.gz RGPVAPZNJCOADP-XNRPHZJLSA-N 2 2 293.411 0.580 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2[C@@H]1CCN(C2CCOCC2)C1=O ZINC000903856502 634669094 /nfs/dbraw/zinc/66/90/94/634669094.db2.gz RGPVAPZNJCOADP-XNRPHZJLSA-N 2 2 293.411 0.580 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000903918758 634685217 /nfs/dbraw/zinc/68/52/17/634685217.db2.gz HDQNQESWDGWOIO-JHJVBQTASA-N 3 2 278.404 0.433 20 0 CCADLP C[C@@H]1CC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000903929982 634690400 /nfs/dbraw/zinc/69/04/00/634690400.db2.gz PCSDQMKCGRCWED-MGPQQGTHSA-N 3 2 292.431 0.619 20 0 CCADLP C[C@@H]1CC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000903929982 634690405 /nfs/dbraw/zinc/69/04/05/634690405.db2.gz PCSDQMKCGRCWED-MGPQQGTHSA-N 3 2 292.431 0.619 20 0 CCADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCO[C@H](CCF)C2)cnn1C ZINC000903934193 634691822 /nfs/dbraw/zinc/69/18/22/634691822.db2.gz DHOGRQJRUOHSOA-DZGCQCFKSA-N 2 2 298.406 0.906 20 0 CCADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCO[C@H](CCF)C2)cnn1C ZINC000903934193 634691824 /nfs/dbraw/zinc/69/18/24/634691824.db2.gz DHOGRQJRUOHSOA-DZGCQCFKSA-N 2 2 298.406 0.906 20 0 CCADLP Cn1cc(N2CC[NH+](C[C@]3(C)CCC[NH2+]C3)CC2)cn1 ZINC000904320801 634727663 /nfs/dbraw/zinc/72/76/63/634727663.db2.gz PJLLPEHKNTZSFM-OAHLLOKOSA-N 2 2 277.416 0.932 20 0 CCADLP C[C@@]1(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCC[NH2+]C1 ZINC000904331466 634728909 /nfs/dbraw/zinc/72/89/09/634728909.db2.gz IGOVFQZGSBHYEF-GOEBONIOSA-N 3 2 294.443 0.272 20 0 CCADLP C[C@@]1(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCC[NH2+]C1 ZINC000904331466 634728914 /nfs/dbraw/zinc/72/89/14/634728914.db2.gz IGOVFQZGSBHYEF-GOEBONIOSA-N 3 2 294.443 0.272 20 0 CCADLP c1cc(N2CC[NH2+]CC2)oc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000904350565 634733808 /nfs/dbraw/zinc/73/38/08/634733808.db2.gz MPTYOOQZRZDBLP-INIZCTEOSA-N 3 2 290.411 0.875 20 0 CCADLP c1cc(N2CC[NH2+]CC2)oc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000904350565 634733814 /nfs/dbraw/zinc/73/38/14/634733814.db2.gz MPTYOOQZRZDBLP-INIZCTEOSA-N 3 2 290.411 0.875 20 0 CCADLP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000904388658 634738450 /nfs/dbraw/zinc/73/84/50/634738450.db2.gz MGCLDXFJMUVFOB-UTINFBMNSA-N 3 2 251.296 0.935 20 0 CCADLP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000904388658 634738454 /nfs/dbraw/zinc/73/84/54/634738454.db2.gz MGCLDXFJMUVFOB-UTINFBMNSA-N 3 2 251.296 0.935 20 0 CCADLP [NH3+]C1(C[NH2+]Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000904450930 634749680 /nfs/dbraw/zinc/74/96/80/634749680.db2.gz UNNWGOPWSJWKKB-UHFFFAOYSA-N 2 2 261.304 0.987 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000905002551 634776451 /nfs/dbraw/zinc/77/64/51/634776451.db2.gz JSDUWMVECMPJDC-FRRDWIJNSA-N 2 2 279.388 0.816 20 0 CCADLP O[C@@H](C[NH2+]CCc1cn2c([nH+]1)CCCC2)C1(O)CCC1 ZINC000905038791 634781374 /nfs/dbraw/zinc/78/13/74/634781374.db2.gz QYQJPQWFRFQNKY-ZDUSSCGKSA-N 2 2 279.384 0.627 20 0 CCADLP C[N@H+](CCF)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027595079 630790824 /nfs/dbraw/zinc/79/08/24/630790824.db2.gz UTNRIDOUASYMKF-LBPRGKRZSA-N 2 2 268.336 0.845 20 0 CCADLP C[N@@H+](CCF)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027595079 630790829 /nfs/dbraw/zinc/79/08/29/630790829.db2.gz UTNRIDOUASYMKF-LBPRGKRZSA-N 2 2 268.336 0.845 20 0 CCADLP CC[N@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027593998 630791368 /nfs/dbraw/zinc/79/13/68/630791368.db2.gz BTKTUKCYRXLBDN-GFCCVEGCSA-N 2 2 250.346 0.895 20 0 CCADLP CC[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027593998 630791371 /nfs/dbraw/zinc/79/13/71/630791371.db2.gz BTKTUKCYRXLBDN-GFCCVEGCSA-N 2 2 250.346 0.895 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@H]([C@H](C)[NH2+]C(C)C)C1 ZINC000979426601 630924552 /nfs/dbraw/zinc/92/45/52/630924552.db2.gz GLFZBBRKMFXPPM-JSGCOSHPSA-N 2 2 294.399 0.875 20 0 CCADLP C[C@@H]([NH2+]CC[C@H]1CCCS1(=O)=O)[C@@H]1CCC[NH2+]1 ZINC000925765174 630968382 /nfs/dbraw/zinc/96/83/82/630968382.db2.gz KJZAMMMARZOOEH-UTUOFQBUSA-N 2 2 260.403 0.684 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[N@@H+](CCF)CC[C@H]1C ZINC000967401398 649997906 /nfs/dbraw/zinc/99/79/06/649997906.db2.gz AIOFRPLDHAGLFU-YPMHNXCESA-N 2 2 282.363 0.988 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[N@H+](CCF)CC[C@H]1C ZINC000967401398 649997912 /nfs/dbraw/zinc/99/79/12/649997912.db2.gz AIOFRPLDHAGLFU-YPMHNXCESA-N 2 2 282.363 0.988 20 0 CCADLP C[C@H](O)C[N@@H+]1CCCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000982086754 631374470 /nfs/dbraw/zinc/37/44/70/631374470.db2.gz JWISKTKVSGDHEB-LBPRGKRZSA-N 2 2 292.383 0.257 20 0 CCADLP C[C@H](O)C[N@H+]1CCCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000982086754 631374475 /nfs/dbraw/zinc/37/44/75/631374475.db2.gz JWISKTKVSGDHEB-LBPRGKRZSA-N 2 2 292.383 0.257 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[N@@H+](CCCO)CC[C@H]1C ZINC000968597515 650022656 /nfs/dbraw/zinc/02/26/56/650022656.db2.gz YXJYLCNCJNNXKP-RISCZKNCSA-N 2 2 294.399 0.470 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[N@H+](CCCO)CC[C@H]1C ZINC000968597515 650022657 /nfs/dbraw/zinc/02/26/57/650022657.db2.gz YXJYLCNCJNNXKP-RISCZKNCSA-N 2 2 294.399 0.470 20 0 CCADLP C[C@@H](CO)C[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880203233 631795018 /nfs/dbraw/zinc/79/50/18/631795018.db2.gz HMWHBJDTTIRCHM-TZMCWYRMSA-N 2 2 256.390 0.848 20 0 CCADLP C[C@@H](CO)C[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880203233 631795022 /nfs/dbraw/zinc/79/50/22/631795022.db2.gz HMWHBJDTTIRCHM-TZMCWYRMSA-N 2 2 256.390 0.848 20 0 CCADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC000909436843 631922867 /nfs/dbraw/zinc/92/28/67/631922867.db2.gz VNNJPPWCUSDQIL-STQMWFEESA-N 2 2 283.416 0.384 20 0 CCADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC000909436843 631922871 /nfs/dbraw/zinc/92/28/71/631922871.db2.gz VNNJPPWCUSDQIL-STQMWFEESA-N 2 2 283.416 0.384 20 0 CCADLP C[C@H]1C[NH+](CCO)CCN1C(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000909436843 631922880 /nfs/dbraw/zinc/92/28/80/631922880.db2.gz VNNJPPWCUSDQIL-STQMWFEESA-N 2 2 283.416 0.384 20 0 CCADLP O=C1OCC[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000895807751 632158003 /nfs/dbraw/zinc/15/80/03/632158003.db2.gz SRRASIPEPFVZFV-ZDUSSCGKSA-N 2 2 261.325 0.956 20 0 CCADLP 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CC(C)[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000997416544 638867653 /nfs/dbraw/zinc/86/76/53/638867653.db2.gz MAPQETJAEYZQAR-UHFFFAOYSA-N 2 2 250.346 0.872 20 0 CCADLP C[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000999323361 638974529 /nfs/dbraw/zinc/97/45/29/638974529.db2.gz PPZNEIUSAFGKOU-WCQYABFASA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000999323361 638974532 /nfs/dbraw/zinc/97/45/32/638974532.db2.gz PPZNEIUSAFGKOU-WCQYABFASA-N 2 2 280.372 0.304 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H]([NH2+]CCO)C2)c[nH+]1 ZINC000999466147 638982664 /nfs/dbraw/zinc/98/26/64/638982664.db2.gz MHIYMDJDBZJPHU-CYBMUJFWSA-N 2 2 294.399 0.500 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001000693931 639153835 /nfs/dbraw/zinc/15/38/35/639153835.db2.gz HMMBDPWQRPQXFA-NEPJUHHUSA-N 2 2 294.399 0.649 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC1CC[NH+](CCCF)CC1 ZINC001003701623 639597637 /nfs/dbraw/zinc/59/76/37/639597637.db2.gz URCOCLYYGKXBAX-UHFFFAOYSA-N 2 2 268.336 0.892 20 0 CCADLP O=C(N[C@H]1CC[N@@H+](CCCO)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001015017133 650514417 /nfs/dbraw/zinc/51/44/17/650514417.db2.gz ZZVOXRFSVGCSTC-OLZOCXBDSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(N[C@H]1CC[N@H+](CCCO)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001015017133 650514421 /nfs/dbraw/zinc/51/44/21/650514421.db2.gz ZZVOXRFSVGCSTC-OLZOCXBDSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@H+](CCO)C[C@H]2CC1 ZINC000946800362 639875045 /nfs/dbraw/zinc/87/50/45/639875045.db2.gz AOUMXFBVVHZHNG-BETUJISGSA-N 2 2 292.383 0.115 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@@H+](CCO)C[C@H]2CC1 ZINC000946800362 639875047 /nfs/dbraw/zinc/87/50/47/639875047.db2.gz AOUMXFBVVHZHNG-BETUJISGSA-N 2 2 292.383 0.115 20 0 CCADLP C[C@@H]1CCC[N@H+](C[C@@H](O)COC2CCOCC2)[C@@H]1C[NH3+] ZINC000923289324 640071727 /nfs/dbraw/zinc/07/17/27/640071727.db2.gz OTCAMTCVKOPGCT-UMVBOHGHSA-N 2 2 286.416 0.602 20 0 CCADLP C[C@@H]1CCC[N@@H+](C[C@@H](O)COC2CCOCC2)[C@@H]1C[NH3+] ZINC000923289324 640071733 /nfs/dbraw/zinc/07/17/33/640071733.db2.gz OTCAMTCVKOPGCT-UMVBOHGHSA-N 2 2 286.416 0.602 20 0 CCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCN(Cc3cccc(O)c3)CC2)C1 ZINC000923323984 640086982 /nfs/dbraw/zinc/08/69/82/640086982.db2.gz NJDLABYWCNEMCD-BPUTZDHNSA-N 2 2 291.395 0.360 20 0 CCADLP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CC[NH+](Cc3cccc(O)c3)CC2)C1 ZINC000923323984 640086990 /nfs/dbraw/zinc/08/69/90/640086990.db2.gz NJDLABYWCNEMCD-BPUTZDHNSA-N 2 2 291.395 0.360 20 0 CCADLP Cc1cc(C)nc(N2CC[NH+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)n1 ZINC000923370584 640105699 /nfs/dbraw/zinc/10/56/99/640105699.db2.gz VXLWYNYAZXYISL-IHRRRGAJSA-N 2 2 291.399 0.066 20 0 CCADLP O[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)COC1CCOCC1 ZINC000923400236 640121988 /nfs/dbraw/zinc/12/19/88/640121988.db2.gz VBHJHBRFYYUZRU-OCCSQVGLSA-N 2 2 284.400 0.417 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923444901 640139690 /nfs/dbraw/zinc/13/96/90/640139690.db2.gz IPWYNDOSIZUGIE-CQSZACIVSA-N 3 2 278.400 0.792 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+](C[C@H](O)C3CC3)CC2)c1 ZINC000838821170 640274134 /nfs/dbraw/zinc/27/41/34/640274134.db2.gz YGAMUOGZLPFMCE-AWEZNQCLSA-N 2 2 277.368 0.983 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC2(C1)OCCO2 ZINC000809575695 640900060 /nfs/dbraw/zinc/90/00/60/640900060.db2.gz AYZGEJXBABPUGP-UHFFFAOYSA-N 2 2 251.330 0.802 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCCC2(C1)OCCO2 ZINC000809575695 640900063 /nfs/dbraw/zinc/90/00/63/640900063.db2.gz AYZGEJXBABPUGP-UHFFFAOYSA-N 2 2 251.330 0.802 20 0 CCADLP Cc1ccc([C@H](O)C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)o1 ZINC000817914070 641280163 /nfs/dbraw/zinc/28/01/63/641280163.db2.gz UAFWBKUCUVSZHS-SNPRPXQTSA-N 2 2 280.368 0.978 20 0 CCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC000818341200 641322482 /nfs/dbraw/zinc/32/24/82/641322482.db2.gz WVYZZURPKSLICY-MCIONIFRSA-N 2 2 281.400 0.626 20 0 CCADLP O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000821134877 641569671 /nfs/dbraw/zinc/56/96/71/641569671.db2.gz LSSHOILQKFLJOU-CABCVRRESA-N 2 2 292.427 0.119 20 0 CCADLP O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000821134877 641569673 /nfs/dbraw/zinc/56/96/73/641569673.db2.gz LSSHOILQKFLJOU-CABCVRRESA-N 2 2 292.427 0.119 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)c1cccc(C[NH3+])c1 ZINC000828876947 642127904 /nfs/dbraw/zinc/12/79/04/642127904.db2.gz NAZZAKOQLBRPRW-CYBMUJFWSA-N 2 2 290.411 0.511 20 0 CCADLP CC[C@H](C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1)OC ZINC001016398864 650724808 /nfs/dbraw/zinc/72/48/08/650724808.db2.gz ZGWOKTNMNBXKEW-CHWSQXEVSA-N 2 2 280.372 0.499 20 0 CCADLP CC[C@H](C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1)OC ZINC001016398864 650724810 /nfs/dbraw/zinc/72/48/10/650724810.db2.gz ZGWOKTNMNBXKEW-CHWSQXEVSA-N 2 2 280.372 0.499 20 0 CCADLP Cc1ccc(NC(=O)NC[C@@H]2C[NH2+]CCO2)c(N(C)C)[nH+]1 ZINC000841154412 642805240 /nfs/dbraw/zinc/80/52/40/642805240.db2.gz HOYWTYSBNDPMKY-NSHDSACASA-N 2 2 293.371 0.566 20 0 CCADLP Cc1ccc([C@@H](O)C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)o1 ZINC000843085203 642990891 /nfs/dbraw/zinc/99/08/91/642990891.db2.gz GNTFYUKKWVYYQL-STQMWFEESA-N 2 2 268.357 0.666 20 0 CCADLP Cc1ccc([C@@H](O)C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)o1 ZINC000843085203 642990895 /nfs/dbraw/zinc/99/08/95/642990895.db2.gz GNTFYUKKWVYYQL-STQMWFEESA-N 2 2 268.357 0.666 20 0 CCADLP [NH3+]CC[C@@H]1CCCCN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000843476655 643071364 /nfs/dbraw/zinc/07/13/64/643071364.db2.gz IYPDQFUOARXBMB-JTQLQIEISA-N 2 2 277.372 0.399 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)c2cccc(C[NH3+])c2)CCO1 ZINC000844179730 643173811 /nfs/dbraw/zinc/17/38/11/643173811.db2.gz YFOFOYFJWPLDDB-GFCCVEGCSA-N 2 2 277.368 0.596 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)c2cccc(C[NH3+])c2)CCO1 ZINC000844179730 643173816 /nfs/dbraw/zinc/17/38/16/643173816.db2.gz YFOFOYFJWPLDDB-GFCCVEGCSA-N 2 2 277.368 0.596 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001017780790 650821469 /nfs/dbraw/zinc/82/14/69/650821469.db2.gz RYVXPLIVMAKQHN-MCIONIFRSA-N 2 2 292.383 0.329 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001017780790 650821470 /nfs/dbraw/zinc/82/14/70/650821470.db2.gz RYVXPLIVMAKQHN-MCIONIFRSA-N 2 2 292.383 0.329 20 0 CCADLP C[C@H](CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)n1cc[nH+]c1 ZINC000845344460 643305257 /nfs/dbraw/zinc/30/52/57/643305257.db2.gz WNYFQABXMOCEDT-MGPQQGTHSA-N 2 2 292.383 0.814 20 0 CCADLP C[C@H](CC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)n1cc[nH+]c1 ZINC000845344460 643305261 /nfs/dbraw/zinc/30/52/61/643305261.db2.gz WNYFQABXMOCEDT-MGPQQGTHSA-N 2 2 292.383 0.814 20 0 CCADLP O=C(CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1)N1CCCC1 ZINC000846876364 643465326 /nfs/dbraw/zinc/46/53/26/643465326.db2.gz QSQUXPCEVRSLES-UHFFFAOYSA-N 2 2 277.372 0.544 20 0 CCADLP C[C@@H]1CN(C)C(=O)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000846868223 643465334 /nfs/dbraw/zinc/46/53/34/643465334.db2.gz QVXLTYPGNFLENB-LLVKDONJSA-N 2 2 250.346 0.515 20 0 CCADLP C[C@@H]1CN(C)C(=O)C[N@H+]1CCCc1c[nH+]cn1C ZINC000846868223 643465335 /nfs/dbraw/zinc/46/53/35/643465335.db2.gz QVXLTYPGNFLENB-LLVKDONJSA-N 2 2 250.346 0.515 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848722506 643671459 /nfs/dbraw/zinc/67/14/59/643671459.db2.gz STFDFLONCVNHQP-JLLWLGSASA-N 2 2 253.346 0.557 20 0 CCADLP C[C@@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)[C@@H]1CCC[NH2+]1 ZINC000848723006 643671591 /nfs/dbraw/zinc/67/15/91/643671591.db2.gz ZWJOCEAFYZERCN-USWWRNFRSA-N 2 2 253.346 0.700 20 0 CCADLP C[C@@H](CNC(=[NH2+])NC1CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000849048155 643709080 /nfs/dbraw/zinc/70/90/80/643709080.db2.gz DYGBZDMTEWWTKE-GARJFASQSA-N 2 2 254.378 0.760 20 0 CCADLP C[C@@H](CNC(=[NH2+])NC1CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000849048155 643709086 /nfs/dbraw/zinc/70/90/86/643709086.db2.gz DYGBZDMTEWWTKE-GARJFASQSA-N 2 2 254.378 0.760 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CCOC(F)F)C1 ZINC000852746139 643994021 /nfs/dbraw/zinc/99/40/21/643994021.db2.gz DWBPSHCFXYVBJY-JTQLQIEISA-N 2 2 277.315 0.122 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CCOC(F)F)C1 ZINC000852746139 643994024 /nfs/dbraw/zinc/99/40/24/643994024.db2.gz DWBPSHCFXYVBJY-JTQLQIEISA-N 2 2 277.315 0.122 20 0 CCADLP Cc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)n(C)n1 ZINC000858468047 644623937 /nfs/dbraw/zinc/62/39/37/644623937.db2.gz AULFVCHZXNCAEW-STQMWFEESA-N 2 2 293.415 0.719 20 0 CCADLP Cc1cc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)n(C)n1 ZINC000858468047 644623940 /nfs/dbraw/zinc/62/39/40/644623940.db2.gz AULFVCHZXNCAEW-STQMWFEESA-N 2 2 293.415 0.719 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001019214026 650947582 /nfs/dbraw/zinc/94/75/82/650947582.db2.gz GXHVFXNXVBNUGW-KBPBESRZSA-N 2 2 292.383 0.500 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001019181466 650944711 /nfs/dbraw/zinc/94/47/11/650944711.db2.gz KCOZNUSPOONJNJ-NSHDSACASA-N 2 2 250.346 0.563 20 0 CCADLP C[C@H]([NH3+])CN(C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000861615613 644897999 /nfs/dbraw/zinc/89/79/99/644897999.db2.gz RWCJQEZFJYPDML-NWDGAFQWSA-N 2 2 277.372 0.649 20 0 CCADLP Cc1cc([C@@H](C)[NH2+]CC2([NH3+])CCOCC2)n(C)n1 ZINC000863542027 645105585 /nfs/dbraw/zinc/10/55/85/645105585.db2.gz RBDBMGDAFQXUDT-LLVKDONJSA-N 2 2 252.362 0.887 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)CN1CC[NH+](C)CC1 ZINC000925493237 645208851 /nfs/dbraw/zinc/20/88/51/645208851.db2.gz WBNWCVVRJHYYIU-ZIAGYGMSSA-N 3 2 268.449 0.600 20 0 CCADLP C[C@H]1CCC[N@H+](CCNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000864879340 645299180 /nfs/dbraw/zinc/29/91/80/645299180.db2.gz IXTGAFYKLDCKIY-UJAVWCLSSA-N 2 2 295.427 0.723 20 0 CCADLP C[C@H]1CCC[N@@H+](CCNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000864879340 645299183 /nfs/dbraw/zinc/29/91/83/645299183.db2.gz IXTGAFYKLDCKIY-UJAVWCLSSA-N 2 2 295.427 0.723 20 0 CCADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000864905297 645302474 /nfs/dbraw/zinc/30/24/74/645302474.db2.gz BJNITSLADPZJMC-AGEKIGPGSA-N 2 2 293.411 0.618 20 0 CCADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000864905297 645302483 /nfs/dbraw/zinc/30/24/83/645302483.db2.gz BJNITSLADPZJMC-AGEKIGPGSA-N 2 2 293.411 0.618 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]([NH2+]Cc2nccs2)C1 ZINC001019869359 651011782 /nfs/dbraw/zinc/01/17/82/651011782.db2.gz ZPCZYKOWLLSZQT-NSHDSACASA-N 2 2 291.380 0.730 20 0 CCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@H](C)[NH3+])C2)cc1 ZINC000867997481 645699965 /nfs/dbraw/zinc/69/99/65/645699965.db2.gz FWGWCCXSEXTBST-ZFWWWQNUSA-N 2 2 291.395 0.659 20 0 CCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@H](C)[NH3+])C2)cc1 ZINC000867997481 645699971 /nfs/dbraw/zinc/69/99/71/645699971.db2.gz FWGWCCXSEXTBST-ZFWWWQNUSA-N 2 2 291.395 0.659 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC[N@@H+](C2CCC2)C1 ZINC000868528358 645781902 /nfs/dbraw/zinc/78/19/02/645781902.db2.gz CPJWZNLFJKCZDZ-RISCZKNCSA-N 2 2 292.383 0.776 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC[N@H+](C2CCC2)C1 ZINC000868528358 645781911 /nfs/dbraw/zinc/78/19/11/645781911.db2.gz CPJWZNLFJKCZDZ-RISCZKNCSA-N 2 2 292.383 0.776 20 0 CCADLP COc1cccc([C@@H]2CN(C(=O)C[NH+](C)C)CC[NH2+]2)c1 ZINC000870150964 645964790 /nfs/dbraw/zinc/96/47/90/645964790.db2.gz ZKMMIFBGYUILCL-AWEZNQCLSA-N 2 2 277.368 0.730 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870865944 646030302 /nfs/dbraw/zinc/03/03/02/646030302.db2.gz IAWUOCFSNSRHMS-OPFPJEHXSA-N 2 2 281.400 0.356 20 0 CCADLP [NH3+][C@H](C(=O)NC[C@@H]1C[C@@H]([NH3+])C1)c1c(F)cccc1F ZINC000870971492 646067261 /nfs/dbraw/zinc/06/72/61/646067261.db2.gz BRWNTANUHIKKNC-UBJUHAIHSA-N 2 2 269.295 0.818 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CC[NH2+]C2)C[C@@H]1C(F)(F)F ZINC000872150306 646215731 /nfs/dbraw/zinc/21/57/31/646215731.db2.gz ZKDBZOVKRVBNAU-AEJSXWLSSA-N 3 2 251.296 0.665 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)C[C@@H]1C(F)(F)F 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C[C@@H]1[C@H](NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC000925322137 648414421 /nfs/dbraw/zinc/41/44/21/648414421.db2.gz DHUPKUJJJUYFDO-HZSPNIEDSA-N 2 2 296.415 0.195 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CC[N@H+]1C ZINC000925322137 648414422 /nfs/dbraw/zinc/41/44/22/648414422.db2.gz DHUPKUJJJUYFDO-HZSPNIEDSA-N 2 2 296.415 0.195 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N2CC[C@@H]3OCC[NH+](C)[C@H]3C2)CC[N@@H+]1C ZINC000925344502 648422742 /nfs/dbraw/zinc/42/27/42/648422742.db2.gz QMZNWJJCDTUWQN-MQYQWHSLSA-N 2 2 296.415 0.194 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N2CC[C@@H]3OCC[NH+](C)[C@H]3C2)CC[N@H+]1C ZINC000925344502 648422744 /nfs/dbraw/zinc/42/27/44/648422744.db2.gz QMZNWJJCDTUWQN-MQYQWHSLSA-N 2 2 296.415 0.194 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)CC[NH+]1C ZINC000925344502 648422745 /nfs/dbraw/zinc/42/27/45/648422745.db2.gz QMZNWJJCDTUWQN-MQYQWHSLSA-N 2 2 296.415 0.194 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)CC[NH+]1C 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274.372 0.264 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CC(=O)N(CC2CC2)C1 ZINC000925772333 648460565 /nfs/dbraw/zinc/46/05/65/648460565.db2.gz RFCFYFBACGVCEN-RTXFEEFZSA-N 2 2 251.374 0.585 20 0 CCADLP C[C@H]([NH2+]CCCCC[NH+]1CCNCC1)[C@@H]1CCC[NH2+]1 ZINC000925846363 648466173 /nfs/dbraw/zinc/46/61/73/648466173.db2.gz MFRXBXYCTTYXGU-GJZGRUSLSA-N 3 2 268.449 0.792 20 0 CCADLP Cc1ncc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)cn1 ZINC000926016597 648478996 /nfs/dbraw/zinc/47/89/96/648478996.db2.gz OZDJGXAULAWLQA-UHFFFAOYSA-N 2 2 278.360 0.330 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000926175342 648491611 /nfs/dbraw/zinc/49/16/11/648491611.db2.gz XJMBYFLJXYFDEY-ILXRZTDVSA-N 2 2 267.417 0.660 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000926175342 648491614 /nfs/dbraw/zinc/49/16/14/648491614.db2.gz XJMBYFLJXYFDEY-ILXRZTDVSA-N 2 2 267.417 0.660 20 0 CCADLP C[C@@H]1CC2(CC([NH2+]CCC[N@@H+]3CCC[C@H]3C(N)=O)C2)CO1 ZINC000926751254 648524131 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CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@H]1CC ZINC000928647543 648656982 /nfs/dbraw/zinc/65/69/82/648656982.db2.gz PWDRPHHYHBGOOE-KFWWJZLASA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@H]1CC ZINC000928647543 648656984 /nfs/dbraw/zinc/65/69/84/648656984.db2.gz PWDRPHHYHBGOOE-KFWWJZLASA-N 2 2 297.443 0.944 20 0 CCADLP OC[C@@H](O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000930128001 648828016 /nfs/dbraw/zinc/82/80/16/648828016.db2.gz BNPSDTXZQKOUDF-LBPRGKRZSA-N 2 2 251.330 0.311 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)CC[NH2+]C(C)(C)C)CCO1 ZINC000931404090 648986184 /nfs/dbraw/zinc/98/61/84/648986184.db2.gz SQRAQHHRMVOILC-LBPRGKRZSA-N 2 2 271.405 0.602 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)CC[NH2+]C(C)(C)C)CCO1 ZINC000931404090 648986187 /nfs/dbraw/zinc/98/61/87/648986187.db2.gz SQRAQHHRMVOILC-LBPRGKRZSA-N 2 2 271.405 0.602 20 0 CCADLP C[C@H]1C[NH+](CCN2CCC(O)(C[NH+](C)C)CC2)C[C@H](C)O1 ZINC000931480641 648994142 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O=S1(=O)C[C@H]2C[N@@H+](CCCn3cc[nH+]c3)C[C@H]2C1 ZINC000933723869 649138945 /nfs/dbraw/zinc/13/89/45/649138945.db2.gz IMYDAWGJBJWCPC-TXEJJXNPSA-N 2 2 269.370 0.250 20 0 CCADLP O=S1(=O)C[C@H]2C[N@H+](CCCn3cc[nH+]c3)C[C@H]2C1 ZINC000933723869 649138950 /nfs/dbraw/zinc/13/89/50/649138950.db2.gz IMYDAWGJBJWCPC-TXEJJXNPSA-N 2 2 269.370 0.250 20 0 CCADLP C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1cccc(N)[nH+]1 ZINC001164927214 721855068 /nfs/dbraw/zinc/85/50/68/721855068.db2.gz KCYOFZOEWYEJOU-CHWSQXEVSA-N 2 2 275.400 0.878 20 0 CCADLP CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1cccc(N)[nH+]1 ZINC001164927214 721855069 /nfs/dbraw/zinc/85/50/69/721855069.db2.gz KCYOFZOEWYEJOU-CHWSQXEVSA-N 2 2 275.400 0.878 20 0 CCADLP CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1cccc(N)[nH+]1 ZINC001164927214 721855071 /nfs/dbraw/zinc/85/50/71/721855071.db2.gz KCYOFZOEWYEJOU-CHWSQXEVSA-N 2 2 275.400 0.878 20 0 CCADLP COC(=O)[C@H]1C[N@H+](C[C@H]2CCC[NH+](C)C2)CCN1C ZINC001208615018 790434874 /nfs/dbraw/zinc/43/48/74/790434874.db2.gz GVMKGIJCAKJORP-QWHCGFSZSA-N 2 2 269.389 0.117 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](C[C@H]2CCC[NH+](C)C2)CCN1C ZINC001208615018 790434880 /nfs/dbraw/zinc/43/48/80/790434880.db2.gz GVMKGIJCAKJORP-QWHCGFSZSA-N 2 2 269.389 0.117 20 0 CCADLP COC(=O)[C@H]1C[NH+](C[C@H]2CCC[N@H+](C)C2)CCN1C ZINC001208615018 790434884 /nfs/dbraw/zinc/43/48/84/790434884.db2.gz GVMKGIJCAKJORP-QWHCGFSZSA-N 2 2 269.389 0.117 20 0 CCADLP COC(=O)[C@H]1C[NH+](C[C@H]2CCC[N@@H+](C)C2)CCN1C ZINC001208615018 790434886 /nfs/dbraw/zinc/43/48/86/790434886.db2.gz GVMKGIJCAKJORP-QWHCGFSZSA-N 2 2 269.389 0.117 20 0 CCADLP COc1cc(C)c[nH+]c1N1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001167188530 790688316 /nfs/dbraw/zinc/68/83/16/790688316.db2.gz ZHXRAUJBWCMFBR-QYJAPNMZSA-N 2 2 263.341 0.809 20 0 CCADLP [NH3+]Cc1ocnc1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000721428566 790781777 /nfs/dbraw/zinc/78/17/77/790781777.db2.gz QPOVKNDEJSDNKU-MRVPVSSYSA-N 2 2 250.302 0.100 20 0 CCADLP [NH3+]Cc1ocnc1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000721428566 790781782 /nfs/dbraw/zinc/78/17/82/790781782.db2.gz QPOVKNDEJSDNKU-MRVPVSSYSA-N 2 2 250.302 0.100 20 0 CCADLP CC(C)[N@@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C1 ZINC001083206810 790943859 /nfs/dbraw/zinc/94/38/59/790943859.db2.gz SWHGRJWXCDQDRX-QWHCGFSZSA-N 2 2 278.356 0.272 20 0 CCADLP CC(C)[N@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C1 ZINC001083206810 790943867 /nfs/dbraw/zinc/94/38/67/790943867.db2.gz SWHGRJWXCDQDRX-QWHCGFSZSA-N 2 2 278.356 0.272 20 0 CCADLP CN(CC[NH2+]Cc1ncccn1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266808534 791252054 /nfs/dbraw/zinc/25/20/54/791252054.db2.gz KBLHEPPBTJWNEJ-ZDUSSCGKSA-N 2 2 291.399 0.509 20 0 CCADLP CN(CC[NH2+]Cc1ncccn1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001266808534 791252056 /nfs/dbraw/zinc/25/20/56/791252056.db2.gz KBLHEPPBTJWNEJ-ZDUSSCGKSA-N 2 2 291.399 0.509 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CCCF ZINC001266950738 791387494 /nfs/dbraw/zinc/38/74/94/791387494.db2.gz WLEXIDKCKQUDAB-NEPJUHHUSA-N 2 2 282.363 0.899 20 0 CCADLP CO[C@H](C)C[NH2+]CCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001267018185 791454272 /nfs/dbraw/zinc/45/42/72/791454272.db2.gz YBWRAOJNPQFBDO-SNVBAGLBSA-N 2 2 268.361 0.344 20 0 CCADLP C[C@H](F)CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001267019237 791454852 /nfs/dbraw/zinc/45/48/52/791454852.db2.gz IUCDRROMDZYQEI-QWRGUYRKSA-N 2 2 268.336 0.891 20 0 CCADLP CCOCC[NH2+]CC1(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001167532462 791513286 /nfs/dbraw/zinc/51/32/86/791513286.db2.gz QXZPSUYGHMVIME-UHFFFAOYSA-N 2 2 294.399 0.865 20 0 CCADLP C[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)[C@H](C[NH3+])C1 ZINC000724570881 791596802 /nfs/dbraw/zinc/59/68/02/791596802.db2.gz UZAYGRWAWKJNKI-DGTMBMJNSA-N 2 2 254.374 0.850 20 0 CCADLP C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)[C@H](C[NH3+])C1 ZINC000724570881 791596804 /nfs/dbraw/zinc/59/68/04/791596804.db2.gz UZAYGRWAWKJNKI-DGTMBMJNSA-N 2 2 254.374 0.850 20 0 CCADLP Cn1ncc2cc(C[N@@H+]3CCN[C@]4(CC[NH2+]C4)C3)ccc21 ZINC001235055367 806358935 /nfs/dbraw/zinc/35/89/35/806358935.db2.gz VQMUJCRWYAFDEM-INIZCTEOSA-N 2 2 285.395 0.711 20 0 CCADLP Cn1ncc2cc(C[N@H+]3CCN[C@]4(CC[NH2+]C4)C3)ccc21 ZINC001235055367 806358945 /nfs/dbraw/zinc/35/89/45/806358945.db2.gz VQMUJCRWYAFDEM-INIZCTEOSA-N 2 2 285.395 0.711 20 0 CCADLP Cc1ccc(O)c(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)n1 ZINC001235065387 806367087 /nfs/dbraw/zinc/36/70/87/806367087.db2.gz XAMBYODJFBEWJQ-CQSZACIVSA-N 2 2 262.357 0.233 20 0 CCADLP Cc1ccc(O)c(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)n1 ZINC001235065387 806367093 /nfs/dbraw/zinc/36/70/93/806367093.db2.gz XAMBYODJFBEWJQ-CQSZACIVSA-N 2 2 262.357 0.233 20 0 CCADLP CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C[C@@H](C)[NH3+] ZINC001235514410 806440399 /nfs/dbraw/zinc/44/03/99/806440399.db2.gz GOBCCAFPZGSSLR-RISCZKNCSA-N 2 2 293.415 0.847 20 0 CCADLP [NH3+]CC[NH+]1C[C@H]2CN(C(=O)c3ccsc3)C[C@@H]2C1 ZINC001235575276 806460953 /nfs/dbraw/zinc/46/09/53/806460953.db2.gz RATCWGBIYSQQBX-RYUDHWBXSA-N 2 2 265.382 0.711 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1CC[C@@]2(C[C@@H]2C(=O)NCc2cccnc2)C1 ZINC001235613570 806473242 /nfs/dbraw/zinc/47/32/42/806473242.db2.gz XPIMHOSEVUDAPP-JGGQBBKZSA-N 2 2 288.395 0.757 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1CC[C@@]2(C[C@@H]2C(=O)NCc2cccnc2)C1 ZINC001235613570 806473249 /nfs/dbraw/zinc/47/32/49/806473249.db2.gz XPIMHOSEVUDAPP-JGGQBBKZSA-N 2 2 288.395 0.757 20 0 CCADLP [NH3+]CC[N@@H+]1CC[C@@]2(C[C@H]2C(=O)NCc2cccnc2)C1 ZINC001235610595 806473413 /nfs/dbraw/zinc/47/34/13/806473413.db2.gz CJZATRHNJSXBTF-DZGCQCFKSA-N 2 2 274.368 0.369 20 0 CCADLP [NH3+]CC[N@H+]1CC[C@@]2(C[C@H]2C(=O)NCc2cccnc2)C1 ZINC001235610595 806473415 /nfs/dbraw/zinc/47/34/15/806473415.db2.gz CJZATRHNJSXBTF-DZGCQCFKSA-N 2 2 274.368 0.369 20 0 CCADLP C[C@H]([NH3+])CN1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001235642199 806480600 /nfs/dbraw/zinc/48/06/00/806480600.db2.gz CZRCDXVFAODPNI-ZDUSSCGKSA-N 2 2 282.432 0.352 20 0 CCADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(CC[NH3+])C2 ZINC001235645909 806481086 /nfs/dbraw/zinc/48/10/86/806481086.db2.gz VZVJFQNDRTTXHK-UHFFFAOYSA-N 2 2 266.393 0.283 20 0 CCADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(CC[NH3+])C2 ZINC001235645909 806481090 /nfs/dbraw/zinc/48/10/90/806481090.db2.gz VZVJFQNDRTTXHK-UHFFFAOYSA-N 2 2 266.393 0.283 20 0 CCADLP CCOc1ncccc1C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235998410 806527272 /nfs/dbraw/zinc/52/72/72/806527272.db2.gz KYMYWZFJOBXGRR-PBWFPOADSA-N 2 2 277.368 0.886 20 0 CCADLP CCOc1ncccc1C[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235998410 806527280 /nfs/dbraw/zinc/52/72/80/806527280.db2.gz KYMYWZFJOBXGRR-PBWFPOADSA-N 2 2 277.368 0.886 20 0 CCADLP COc1cnc(F)c(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1 ZINC001236002579 806528645 /nfs/dbraw/zinc/52/86/45/806528645.db2.gz WQXLKAHGVIEJKN-QYJAPNMZSA-N 2 2 281.331 0.635 20 0 CCADLP COc1cnc(F)c(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1 ZINC001236002579 806528647 /nfs/dbraw/zinc/52/86/47/806528647.db2.gz WQXLKAHGVIEJKN-QYJAPNMZSA-N 2 2 281.331 0.635 20 0 CCADLP CCNC(=O)OC1CC[NH+](C[C@@H]2C[NH2+]C(C)(C)O2)CC1 ZINC001236096422 806542602 /nfs/dbraw/zinc/54/26/02/806542602.db2.gz AYFZQBBTUMIFJE-LBPRGKRZSA-N 2 2 285.388 0.921 20 0 CCADLP COC(=O)[C@H]1C[N@H+](CC2(C)CCOCC2)C[C@@H]1[NH3+] ZINC001236342835 806572789 /nfs/dbraw/zinc/57/27/89/806572789.db2.gz NUVWYRGHKUNRIN-QWRGUYRKSA-N 2 2 256.346 0.235 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](CC2(C)CCOCC2)C[C@@H]1[NH3+] ZINC001236342835 806572794 /nfs/dbraw/zinc/57/27/94/806572794.db2.gz NUVWYRGHKUNRIN-QWRGUYRKSA-N 2 2 256.346 0.235 20 0 CCADLP C[C@@H]([NH3+])C[NH+]1CCC(OCC(=O)N2CCCC2)CC1 ZINC001236847779 806614230 /nfs/dbraw/zinc/61/42/30/806614230.db2.gz MEWUFOVIPXMMDG-GFCCVEGCSA-N 2 2 269.389 0.437 20 0 CCADLP C[C@H]([NH3+])C[NH+]1CCC2(CCN(S(C)(=O)=O)CC2)CC1 ZINC001237059468 806632998 /nfs/dbraw/zinc/63/29/98/806632998.db2.gz BRNYTELBJSBOMU-LBPRGKRZSA-N 2 2 289.445 0.471 20 0 CCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H](C)[NH2+]1 ZINC001121810466 799072375 /nfs/dbraw/zinc/07/23/75/799072375.db2.gz KIDLMYAFDXPFQN-AOOOYVTPSA-N 2 2 250.346 0.896 20 0 CCADLP C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@@H]1[NH3+] ZINC001121896140 799086749 /nfs/dbraw/zinc/08/67/49/799086749.db2.gz GKFYZHPIPWJTFL-UWVGGRQHSA-N 2 2 250.346 0.883 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC001121986334 799113597 /nfs/dbraw/zinc/11/35/97/799113597.db2.gz HJQWECIMGRNSSH-RYUDHWBXSA-N 2 2 262.357 0.943 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+]C1CC1 ZINC001122007346 799119911 /nfs/dbraw/zinc/11/99/11/799119911.db2.gz LEBHFUBPSNQYGZ-JTQLQIEISA-N 2 2 250.346 0.847 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+]C1CC1 ZINC001122007346 799119915 /nfs/dbraw/zinc/11/99/15/799119915.db2.gz LEBHFUBPSNQYGZ-JTQLQIEISA-N 2 2 250.346 0.847 20 0 CCADLP C[NH+](C)CCN1CC[NH+](Cc2c[nH]ccc2=O)CC1 ZINC001237842125 806724656 /nfs/dbraw/zinc/72/46/56/806724656.db2.gz NTTMSXPUDYSMGB-UHFFFAOYSA-N 2 2 264.373 0.054 20 0 CCADLP C[NH+](C)[C@@H](C(=O)N1CCNCC[NH2+]CC1)c1ccccc1 ZINC001122287715 799187718 /nfs/dbraw/zinc/18/77/18/799187718.db2.gz GXINOGIUYDXHGU-OAHLLOKOSA-N 2 2 290.411 0.311 20 0 CCADLP OC[C@H]1C[N@H+](Cc2cccc3c[nH+]cn32)CC[C@@H]1O ZINC001238107200 806750237 /nfs/dbraw/zinc/75/02/37/806750237.db2.gz ONSSBVNVJQSETF-RISCZKNCSA-N 2 2 261.325 0.509 20 0 CCADLP OC[C@H]1C[N@@H+](Cc2cccc3c[nH+]cn32)CC[C@@H]1O ZINC001238107200 806750242 /nfs/dbraw/zinc/75/02/42/806750242.db2.gz ONSSBVNVJQSETF-RISCZKNCSA-N 2 2 261.325 0.509 20 0 CCADLP OC[C@H]1CC[N@H+](Cc2cccc3c[nH+]cn32)C[C@@H]1O ZINC001238104463 806750913 /nfs/dbraw/zinc/75/09/13/806750913.db2.gz VRXOICVZOQGXOG-RISCZKNCSA-N 2 2 261.325 0.509 20 0 CCADLP OC[C@H]1CC[N@@H+](Cc2cccc3c[nH+]cn32)C[C@@H]1O ZINC001238104463 806750916 /nfs/dbraw/zinc/75/09/16/806750916.db2.gz VRXOICVZOQGXOG-RISCZKNCSA-N 2 2 261.325 0.509 20 0 CCADLP C[C@@]1(CO)CC[N@H+](Cc2cccc3c[nH+]cn32)C[C@@H]1O ZINC001238108437 806751908 /nfs/dbraw/zinc/75/19/08/806751908.db2.gz WOHYEPZSGNBYNS-GJZGRUSLSA-N 2 2 275.352 0.900 20 0 CCADLP C[C@@]1(CO)CC[N@@H+](Cc2cccc3c[nH+]cn32)C[C@@H]1O ZINC001238108437 806751915 /nfs/dbraw/zinc/75/19/15/806751915.db2.gz WOHYEPZSGNBYNS-GJZGRUSLSA-N 2 2 275.352 0.900 20 0 CCADLP Cc1n[nH]c(C)c1C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001139102588 799781293 /nfs/dbraw/zinc/78/12/93/799781293.db2.gz OWHOVCUVGZFUEJ-CYBMUJFWSA-N 2 2 293.415 0.669 20 0 CCADLP Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001139102588 799781301 /nfs/dbraw/zinc/78/13/01/799781301.db2.gz OWHOVCUVGZFUEJ-CYBMUJFWSA-N 2 2 293.415 0.669 20 0 CCADLP CN(C)C(=O)C[NH+]1CCC2(CC(N(C)C)=[NH+]O2)CC1 ZINC001203015335 799890091 /nfs/dbraw/zinc/89/00/91/799890091.db2.gz UQAIWZUSNCCXTG-UHFFFAOYSA-N 2 2 268.361 0.205 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC([NH2+]CCCF)CC1 ZINC001203051808 799925674 /nfs/dbraw/zinc/92/56/74/799925674.db2.gz IJGAYLSECPOKJW-UHFFFAOYSA-N 2 2 268.336 0.892 20 0 CCADLP CC[N@@H+]1CC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCCO ZINC001141311209 799998745 /nfs/dbraw/zinc/99/87/45/799998745.db2.gz BBPOBNJRPWLXCP-OLZOCXBDSA-N 2 2 269.389 0.044 20 0 CCADLP CC[N@H+]1CC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCCO ZINC001141311209 799998747 /nfs/dbraw/zinc/99/87/47/799998747.db2.gz BBPOBNJRPWLXCP-OLZOCXBDSA-N 2 2 269.389 0.044 20 0 CCADLP CC[NH+]1CC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC001141311209 799998750 /nfs/dbraw/zinc/99/87/50/799998750.db2.gz BBPOBNJRPWLXCP-OLZOCXBDSA-N 2 2 269.389 0.044 20 0 CCADLP CC[NH+]1CC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC001141311209 799998753 /nfs/dbraw/zinc/99/87/53/799998753.db2.gz BBPOBNJRPWLXCP-OLZOCXBDSA-N 2 2 269.389 0.044 20 0 CCADLP COC[C@H](C)[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149570880 800277384 /nfs/dbraw/zinc/27/73/84/800277384.db2.gz DNNQQPQUDLCNLU-NSHDSACASA-N 2 2 268.361 0.093 20 0 CCADLP CC(C)C[N@@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150824973 800369977 /nfs/dbraw/zinc/36/99/77/800369977.db2.gz PDDXCKNFJKBVLK-CQSZACIVSA-N 2 2 294.399 0.746 20 0 CCADLP CC(C)C[N@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150824973 800369986 /nfs/dbraw/zinc/36/99/86/800369986.db2.gz PDDXCKNFJKBVLK-CQSZACIVSA-N 2 2 294.399 0.746 20 0 CCADLP Cn1cc(Cl)c(C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001151065467 800392770 /nfs/dbraw/zinc/39/27/70/800392770.db2.gz JXUFPNHBEJPPJM-JTQLQIEISA-N 2 2 299.806 0.231 20 0 CCADLP Cn1cc(Cl)c(C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001151065467 800392777 /nfs/dbraw/zinc/39/27/77/800392777.db2.gz JXUFPNHBEJPPJM-JTQLQIEISA-N 2 2 299.806 0.231 20 0 CCADLP CC(C)[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001151814209 800461216 /nfs/dbraw/zinc/46/12/16/800461216.db2.gz FUIGAJQARUCWKQ-CYBMUJFWSA-N 2 2 269.389 0.211 20 0 CCADLP O=C(CC[NH+]1CCCCC1)NCC[NH2+]Cc1ncccn1 ZINC001152340301 800511149 /nfs/dbraw/zinc/51/11/49/800511149.db2.gz KUPLMMBTTBWDDZ-UHFFFAOYSA-N 2 2 291.399 0.558 20 0 CCADLP CCc1noc([C@H](C)[NH2+]CCNC(=O)C[N@H+](C)C(C)C)n1 ZINC001152445529 800523015 /nfs/dbraw/zinc/52/30/15/800523015.db2.gz IQQNXEKKGXMDFO-NSHDSACASA-N 2 2 297.403 0.739 20 0 CCADLP CCc1noc([C@H](C)[NH2+]CCNC(=O)C[N@@H+](C)C(C)C)n1 ZINC001152445529 800523017 /nfs/dbraw/zinc/52/30/17/800523017.db2.gz IQQNXEKKGXMDFO-NSHDSACASA-N 2 2 297.403 0.739 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1csnn1 ZINC001152452015 800524498 /nfs/dbraw/zinc/52/44/98/800524498.db2.gz PWOKUROBJWXBKR-GFCCVEGCSA-N 2 2 297.428 0.618 20 0 CCADLP [NH3+]CCS(=O)(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC001239090805 806847207 /nfs/dbraw/zinc/84/72/07/806847207.db2.gz BIBMRCUGGVCLQC-KBPBESRZSA-N 2 2 295.408 0.234 20 0 CCADLP [NH3+]CCS(=O)(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001239090805 806847219 /nfs/dbraw/zinc/84/72/19/806847219.db2.gz BIBMRCUGGVCLQC-KBPBESRZSA-N 2 2 295.408 0.234 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NCC[NH2+]CC[C@@H]1CCOC1 ZINC001153345517 800624522 /nfs/dbraw/zinc/62/45/22/800624522.db2.gz YPJKTATUQPJJBR-CQSZACIVSA-N 2 2 294.399 0.796 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]C[C@H](O)C1CCCCC1 ZINC001153495192 800635275 /nfs/dbraw/zinc/63/52/75/800635275.db2.gz FTJAKJLTXGMMET-AWEZNQCLSA-N 2 2 294.399 0.530 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)Cn1cc[nH+]c1)c1cnccn1 ZINC001153495921 800635953 /nfs/dbraw/zinc/63/59/53/800635953.db2.gz QZSVBDITXCHNCF-LLVKDONJSA-N 2 2 274.328 0.140 20 0 CCADLP [NH3+]CCS(=O)(=O)N1CCC[C@H](Oc2cc[nH+]cc2)C1 ZINC001239162589 806859170 /nfs/dbraw/zinc/85/91/70/806859170.db2.gz GWSYWCDQFIXEJP-LBPRGKRZSA-N 2 2 285.369 0.213 20 0 CCADLP CC[N@H+](CCOC)[C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001154422090 800779016 /nfs/dbraw/zinc/77/90/16/800779016.db2.gz ALFSVPPTQZHQGB-CYBMUJFWSA-N 2 2 296.415 0.826 20 0 CCADLP CC[N@@H+](CCOC)[C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001154422090 800779017 /nfs/dbraw/zinc/77/90/17/800779017.db2.gz ALFSVPPTQZHQGB-CYBMUJFWSA-N 2 2 296.415 0.826 20 0 CCADLP COc1cc[nH+]c(N2CCOC[C@H]2C[NH+](C)C)c1 ZINC001154960679 800880816 /nfs/dbraw/zinc/88/08/16/800880816.db2.gz FIYCQFZTVRBYST-LLVKDONJSA-N 2 2 251.330 0.857 20 0 CCADLP CC[N@H+](C[C@H]1CCOC1)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156017105 801095258 /nfs/dbraw/zinc/09/52/58/801095258.db2.gz WNTGOCZLHWKHMZ-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP CC[N@@H+](C[C@H]1CCOC1)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156017105 801095263 /nfs/dbraw/zinc/09/52/63/801095263.db2.gz WNTGOCZLHWKHMZ-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP Cc1nc(-n2cncn2)cc(N(C)C2CC[NH2+]CC2)[nH+]1 ZINC001156180565 801123753 /nfs/dbraw/zinc/12/37/53/801123753.db2.gz KTXDLZUVGHQKDL-UHFFFAOYSA-N 2 2 273.344 0.554 20 0 CCADLP O=C(OC1CCCCC1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239334900 806886704 /nfs/dbraw/zinc/88/67/04/806886704.db2.gz RLVAJGCMBUCDLI-UHFFFAOYSA-N 2 2 298.431 0.540 20 0 CCADLP CN(C)c1cc(N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)nc[nH+]1 ZINC001156376352 801159176 /nfs/dbraw/zinc/15/91/76/801159176.db2.gz NKFNCJKCPODOCU-BXUZGUMPSA-N 2 2 261.373 0.931 20 0 CCADLP CN(C)c1cc(N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)[nH+]cn1 ZINC001156376352 801159180 /nfs/dbraw/zinc/15/91/80/801159180.db2.gz NKFNCJKCPODOCU-BXUZGUMPSA-N 2 2 261.373 0.931 20 0 CCADLP CN1CC[C@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)C1=O ZINC001156507209 801177027 /nfs/dbraw/zinc/17/70/27/801177027.db2.gz LSNKJCVCCYWSLS-LBPRGKRZSA-N 2 2 275.356 0.134 20 0 CCADLP Nc1[nH]c2ccc(C(=O)N3CC[N@@H+]4CC[C@@H]4C3)cc2[nH+]1 ZINC001156972300 801275161 /nfs/dbraw/zinc/27/51/61/801275161.db2.gz XEBHSNKLOSRFLV-SNVBAGLBSA-N 2 2 271.324 0.675 20 0 CCADLP Nc1[nH]c2ccc(C(=O)N3CC[N@H+]4CC[C@@H]4C3)cc2[nH+]1 ZINC001156972300 801275168 /nfs/dbraw/zinc/27/51/68/801275168.db2.gz XEBHSNKLOSRFLV-SNVBAGLBSA-N 2 2 271.324 0.675 20 0 CCADLP Nc1[nH]c2cc(C(=O)N3CC[N@@H+]4CC[C@@H]4C3)ccc2[nH+]1 ZINC001156972300 801275172 /nfs/dbraw/zinc/27/51/72/801275172.db2.gz XEBHSNKLOSRFLV-SNVBAGLBSA-N 2 2 271.324 0.675 20 0 CCADLP Nc1[nH]c2cc(C(=O)N3CC[N@H+]4CC[C@@H]4C3)ccc2[nH+]1 ZINC001156972300 801275179 /nfs/dbraw/zinc/27/51/79/801275179.db2.gz XEBHSNKLOSRFLV-SNVBAGLBSA-N 2 2 271.324 0.675 20 0 CCADLP Cc1cc(C[NH2+]CCCNC(=O)CCc2[nH]cc[nH+]2)no1 ZINC001157255381 801334258 /nfs/dbraw/zinc/33/42/58/801334258.db2.gz BDBFUJSIUJSUEI-UHFFFAOYSA-N 2 2 291.355 0.935 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC2(C1)CC(F)(F)C2 ZINC001157521270 801404850 /nfs/dbraw/zinc/40/48/50/801404850.db2.gz GANZAFCMLPQTPS-JTQLQIEISA-N 2 2 284.310 0.548 20 0 CCADLP CN(CC(=O)N1C[C@@H](F)[C@@H]([NH3+])C1)c1cccc[nH+]1 ZINC001157530780 801407202 /nfs/dbraw/zinc/40/72/02/801407202.db2.gz HYXOWURTPFFSJA-ZJUUUORDSA-N 2 2 252.293 0.025 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2CC(N3CC(F)C3)C2)cc1 ZINC001157527767 801407852 /nfs/dbraw/zinc/40/78/52/801407852.db2.gz QCCPVYWXRTVEJY-CQSZACIVSA-N 2 2 292.358 0.123 20 0 CCADLP CN(C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)C1CC(F)(F)C1 ZINC001157564283 801421389 /nfs/dbraw/zinc/42/13/89/801421389.db2.gz HQWPFSRAMMYVLT-JTQLQIEISA-N 2 2 272.299 0.546 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC(=O)[C@H]3CCCC[C@@H]32)C1 ZINC001157568366 801423684 /nfs/dbraw/zinc/42/36/84/801423684.db2.gz SAGPXTUKGCNQFC-RHYQMDGZSA-N 2 2 265.357 0.036 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2Cc3cncnc3C2)cc1 ZINC001157716414 801461334 /nfs/dbraw/zinc/46/13/34/801461334.db2.gz MXMRHVLYNICCEG-CYBMUJFWSA-N 2 2 283.335 0.591 20 0 CCADLP C[C@@H]1[C@@H]([NH3+])CCCN1c1cc(N2CCOCC2)[nH+]cn1 ZINC001157731927 801467147 /nfs/dbraw/zinc/46/71/47/801467147.db2.gz HAPVOOLUVWLPKX-NEPJUHHUSA-N 2 2 277.372 0.629 20 0 CCADLP [NH3+]C[C@]1(F)CCN(c2ccc(Cn3cncn3)c[nH+]2)C1 ZINC001157817723 801495057 /nfs/dbraw/zinc/49/50/57/801495057.db2.gz OAHVNCSSRVMXCT-CYBMUJFWSA-N 2 2 276.319 0.599 20 0 CCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)c1ccccc1C[NH3+] ZINC001158006218 801552059 /nfs/dbraw/zinc/55/20/59/801552059.db2.gz JRGRJULEPSFYPF-CYBMUJFWSA-N 2 2 291.351 0.122 20 0 CCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CCCC[C@@]3(CCCC[NH2+]C3)C2)C1 ZINC001158031139 801555899 /nfs/dbraw/zinc/55/58/99/801555899.db2.gz HHGWNKMXWJJDOW-OFQRWUPVSA-N 3 2 294.443 0.448 20 0 CCADLP Cc1cc(F)cnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158203535 801591529 /nfs/dbraw/zinc/59/15/29/801591529.db2.gz CWJULXQFFKAIAA-SNVBAGLBSA-N 2 2 250.277 0.577 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncnc2c1CCC2 ZINC001158203295 801591951 /nfs/dbraw/zinc/59/19/51/801591951.db2.gz IQDKVJRUTAEFKR-SECBINFHSA-N 2 2 259.313 0.013 20 0 CCADLP Cc1nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ncc1Cl ZINC001158204175 801593178 /nfs/dbraw/zinc/59/31/78/801593178.db2.gz LGGSXNRNOMRLBX-MRVPVSSYSA-N 2 2 267.720 0.486 20 0 CCADLP COc1cccc2cnc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)nc21 ZINC001158206153 801594311 /nfs/dbraw/zinc/59/43/11/801594311.db2.gz AKSUXGMVYREGAI-LLVKDONJSA-N 2 2 299.334 0.686 20 0 CCADLP CSc1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nn1 ZINC001158209510 801595727 /nfs/dbraw/zinc/59/57/27/801595727.db2.gz VXVJOTONPURTPE-MRVPVSSYSA-N 2 2 265.342 0.246 20 0 CCADLP Cc1cnc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)cn1 ZINC001158258259 801606326 /nfs/dbraw/zinc/60/63/26/801606326.db2.gz VDSJEBLFNIUVEL-GFCCVEGCSA-N 2 2 261.373 0.787 20 0 CCADLP Cc1cnc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)cn1 ZINC001158258259 801606331 /nfs/dbraw/zinc/60/63/31/801606331.db2.gz VDSJEBLFNIUVEL-GFCCVEGCSA-N 2 2 261.373 0.787 20 0 CCADLP Cc1ncc(F)c(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158259860 801609060 /nfs/dbraw/zinc/60/90/60/801609060.db2.gz WOVFXYRVKJRGLF-LLVKDONJSA-N 2 2 279.363 0.926 20 0 CCADLP Cc1ncc(F)c(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158259860 801609065 /nfs/dbraw/zinc/60/90/65/801609065.db2.gz WOVFXYRVKJRGLF-LLVKDONJSA-N 2 2 279.363 0.926 20 0 CCADLP Cc1nc(N2C[C@@H]([NH3+])C3(COC3)C2)c2c([nH+]1)CCC2 ZINC001158765996 801703789 /nfs/dbraw/zinc/70/37/89/801703789.db2.gz PMOOPNBLTBQOSE-GFCCVEGCSA-N 2 2 260.341 0.438 20 0 CCADLP C[NH2+]CCC(=O)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001158821258 801709630 /nfs/dbraw/zinc/70/96/30/801709630.db2.gz GAXOJWILOWAABF-UHFFFAOYSA-N 2 2 289.339 0.414 20 0 CCADLP C[C@H]1C[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3c[nH+]cn3C)CC[C@H]2O1 ZINC001158855555 801713479 /nfs/dbraw/zinc/71/34/79/801713479.db2.gz HHBCUPVNSUZPLG-AUZPSNTRSA-N 2 2 292.383 0.316 20 0 CCADLP COC(=O)c1cc2c[nH]c(NCC[N@@H+](C)CC[NH3+])cc-2n1 ZINC001159436870 801805311 /nfs/dbraw/zinc/80/53/11/801805311.db2.gz CAUCKWBCVJXICL-UHFFFAOYSA-N 2 2 291.355 0.652 20 0 CCADLP COC(=O)c1cc2c[nH]c(NCC[N@H+](C)CC[NH3+])cc-2n1 ZINC001159436870 801805302 /nfs/dbraw/zinc/80/53/02/801805302.db2.gz CAUCKWBCVJXICL-UHFFFAOYSA-N 2 2 291.355 0.652 20 0 CCADLP CO[C@H](C)C[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159536909 801831082 /nfs/dbraw/zinc/83/10/82/801831082.db2.gz DABNWBJVUGCNOP-LLVKDONJSA-N 2 2 268.361 0.473 20 0 CCADLP CO[C@H](C)C[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159536909 801831091 /nfs/dbraw/zinc/83/10/91/801831091.db2.gz DABNWBJVUGCNOP-LLVKDONJSA-N 2 2 268.361 0.473 20 0 CCADLP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1nc(C)[nH+]cc1C ZINC001159755035 801863774 /nfs/dbraw/zinc/86/37/74/801863774.db2.gz HBBRQHPKRJDEAW-GHMZBOCLSA-N 2 2 264.329 0.656 20 0 CCADLP [NH3+]C1(C(=O)N2CC[C@@H](c3cccnc3)C2)CC[NH2+]CC1 ZINC001160523342 801960399 /nfs/dbraw/zinc/96/03/99/801960399.db2.gz APHXVHCKSTYZBW-CYBMUJFWSA-N 2 2 274.368 0.478 20 0 CCADLP CC[NH+]1CCC(N(C)C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001160537425 801966041 /nfs/dbraw/zinc/96/60/41/801966041.db2.gz KQHKCOUPXNUZOP-ZDUSSCGKSA-N 3 2 279.388 0.222 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCc2ncccc2C1 ZINC001160548801 801967772 /nfs/dbraw/zinc/96/77/72/801967772.db2.gz MBBPVDZMBSQZGO-LBPRGKRZSA-N 2 2 271.324 0.259 20 0 CCADLP CN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)[C@H](C1CCC1)C(F)(F)F ZINC001160773763 802019091 /nfs/dbraw/zinc/01/90/91/802019091.db2.gz KWRVXYMSBXFXGS-KXUCPTDWSA-N 2 2 279.306 0.865 20 0 CCADLP CN(Cc1ccc(F)cc1F)C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160876357 802039432 /nfs/dbraw/zinc/03/94/32/802039432.db2.gz WFVJMAWCVMQALH-ABAIWWIYSA-N 2 2 295.333 0.875 20 0 CCADLP CCN(C(=O)[C@@H]([NH2+]C)[C@@H](C)OC(C)(C)C)C1C[NH+](C)C1 ZINC001161137984 802098766 /nfs/dbraw/zinc/09/87/66/802098766.db2.gz JPMJLZVKOJYECZ-YPMHNXCESA-N 2 2 285.432 0.941 20 0 CCADLP CCN(C(=O)[C@@H]1C[NH2+]CC(F)(F)C1)[C@@H]1CCC[NH2+]C1 ZINC001161329887 802128443 /nfs/dbraw/zinc/12/84/43/802128443.db2.gz DIBHZLDQJFJVFW-WDEREUQCSA-N 2 2 275.343 0.832 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2CC(C(F)F)C2)cc1 ZINC001161500032 802165630 /nfs/dbraw/zinc/16/56/30/802165630.db2.gz SFNQZOKEURKMGZ-LLVKDONJSA-N 2 2 269.295 0.982 20 0 CCADLP COC(=O)Cc1c[nH]c2[nH+]ccc(N[C@@H]3COC[C@@H]3[NH3+])c12 ZINC001162926228 802439290 /nfs/dbraw/zinc/43/92/90/802439290.db2.gz NNRMRKNCNWNNCH-GXSJLCMTSA-N 2 2 290.323 0.416 20 0 CCADLP O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2cccn3cc[nH+]c23)N1 ZINC001163238402 802511346 /nfs/dbraw/zinc/51/13/46/802511346.db2.gz BSYDQKQVRLDZPH-ZWNOBZJWSA-N 2 2 257.297 0.324 20 0 CCADLP Cn1c[nH+]c2ccc(N[C@@]34CC[NH2+][C@@H]3CC(=O)N4)cc21 ZINC001163247743 802516290 /nfs/dbraw/zinc/51/62/90/802516290.db2.gz FCNFYEPITFZOOP-TZMCWYRMSA-N 2 2 271.324 0.563 20 0 CCADLP Cc1cc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)cc(OC(F)F)[nH+]1 ZINC001163254636 802521967 /nfs/dbraw/zinc/52/19/67/802521967.db2.gz OUYZPRDWJYJFRW-NOZJJQNGSA-N 2 2 298.293 0.981 20 0 CCADLP Fc1c[nH+]ccc1N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163325699 802533883 /nfs/dbraw/zinc/53/38/83/802533883.db2.gz XISKEAIWGRPJDD-GWCFXTLKSA-N 2 2 251.305 0.966 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCC[NH2+]CCCF ZINC001163593162 802574529 /nfs/dbraw/zinc/57/45/29/802574529.db2.gz DRYGJHQHKSIWFA-UHFFFAOYSA-N 2 2 256.325 0.729 20 0 CCADLP C[C@H]1C[C@@H](CO)N(c2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC001164152397 802676652 /nfs/dbraw/zinc/67/66/52/802676652.db2.gz LDXNTTLJHQNYLI-JSGCOSHPSA-N 2 2 276.384 0.698 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Nc2ccc([C@@H]3CCC[NH2+]3)cn2)C[NH2+]1 ZINC001164302333 802714673 /nfs/dbraw/zinc/71/46/73/802714673.db2.gz RBSACCUVGVJDJG-AVGNSLFASA-N 2 2 290.367 0.822 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Nc2cc[nH+]c(C)c2F)C[NH2+]1 ZINC001164312027 802719125 /nfs/dbraw/zinc/71/91/25/802719125.db2.gz KCBZUVDIJPDCJM-WPRPVWTQSA-N 2 2 253.277 0.266 20 0 CCADLP Nc1ccc(N2Cc3ncnn3C3(CC[NH2+]CC3)C2)[nH+]c1 ZINC001165309991 802820608 /nfs/dbraw/zinc/82/06/08/802820608.db2.gz HGSWDWHFYCVTHI-UHFFFAOYSA-N 2 2 285.355 0.354 20 0 CCADLP [NH3+]C1CCN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)CC1 ZINC001166664393 802934641 /nfs/dbraw/zinc/93/46/41/802934641.db2.gz OLZXRWXPPVKRKU-UHFFFAOYSA-N 3 2 261.373 0.419 20 0 CCADLP COC(=O)C1([NH3+])CCN(c2[nH+]c(C)ccc2OC)CC1 ZINC001166797296 802962834 /nfs/dbraw/zinc/96/28/34/802962834.db2.gz MBANOTFCQAXIIB-UHFFFAOYSA-N 2 2 279.340 0.869 20 0 CCADLP c1cc(N2CC3(CCO3)C2)[nH+]cc1N1CC[NH2+]CC1 ZINC001166942639 802987611 /nfs/dbraw/zinc/98/76/11/802987611.db2.gz ZLMPZFDPTBLIDJ-UHFFFAOYSA-N 2 2 260.341 0.470 20 0 CCADLP COC(=O)C1(Nc2ccn3cc(N)[nH+]c3c2)CC[NH2+]CC1 ZINC001166946911 802989353 /nfs/dbraw/zinc/98/93/53/802989353.db2.gz FJDRVLQSMJPPKO-UHFFFAOYSA-N 2 2 289.339 0.624 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CCC(C[NH2+]CCO)CC1 ZINC001205119225 803118310 /nfs/dbraw/zinc/11/83/10/803118310.db2.gz OYNXACXWRBNXFU-UHFFFAOYSA-N 2 2 280.372 0.163 20 0 CCADLP [NH3+][C@@H]1C[N@H+](CC2CC[NH+](Cc3ccccc3)CC2)C[C@H]1O ZINC001205339151 803134938 /nfs/dbraw/zinc/13/49/38/803134938.db2.gz GAKZBCLKZNRRCP-IAGOWNOFSA-N 3 2 289.423 0.902 20 0 CCADLP [NH3+][C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccccc3)CC2)C[C@H]1O ZINC001205339151 803134941 /nfs/dbraw/zinc/13/49/41/803134941.db2.gz GAKZBCLKZNRRCP-IAGOWNOFSA-N 3 2 289.423 0.902 20 0 CCADLP [NH3+][C@@H]1CN(Cc2c[nH+]cn2Cc2ccccc2)C[C@H]1O ZINC001205351965 803136071 /nfs/dbraw/zinc/13/60/71/803136071.db2.gz BDYADKLKTOEBJB-HUUCEWRRSA-N 2 2 272.352 0.435 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC(C[NH2+]CCO)CC1 ZINC001205487837 803142646 /nfs/dbraw/zinc/14/26/46/803142646.db2.gz OTZCBEIDRPCDIE-CHWSQXEVSA-N 2 2 292.383 0.334 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC(C[NH2+]CCO)CC1 ZINC001205487837 803142654 /nfs/dbraw/zinc/14/26/54/803142654.db2.gz OTZCBEIDRPCDIE-CHWSQXEVSA-N 2 2 292.383 0.334 20 0 CCADLP COC(=O)c1cc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc(OC)c1 ZINC001206536110 803262394 /nfs/dbraw/zinc/26/23/94/803262394.db2.gz ZAJVBZHKCZTROO-JSGCOSHPSA-N 2 2 294.351 0.233 20 0 CCADLP COC(=O)c1cc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc(OC)c1 ZINC001206536110 803262401 /nfs/dbraw/zinc/26/24/01/803262401.db2.gz ZAJVBZHKCZTROO-JSGCOSHPSA-N 2 2 294.351 0.233 20 0 CCADLP CC(C)(C(=O)N1CCC(C[NH2+]CCO)CC1)c1c[nH+]c[nH]1 ZINC001206872429 803297142 /nfs/dbraw/zinc/29/71/42/803297142.db2.gz DVTBIYQDVIWATQ-UHFFFAOYSA-N 2 2 294.399 0.508 20 0 CCADLP C[C@H](O)C[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001206970872 803319411 /nfs/dbraw/zinc/31/94/11/803319411.db2.gz MYUCROBRYIOPHS-LBPRGKRZSA-N 2 2 280.372 0.092 20 0 CCADLP COCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001207438835 803401025 /nfs/dbraw/zinc/40/10/25/803401025.db2.gz ZMARQIDZDVDWSN-TZMCWYRMSA-N 2 2 294.399 0.815 20 0 CCADLP COCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001207438835 803401028 /nfs/dbraw/zinc/40/10/28/803401028.db2.gz ZMARQIDZDVDWSN-TZMCWYRMSA-N 2 2 294.399 0.815 20 0 CCADLP COCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001207438835 803401049 /nfs/dbraw/zinc/40/10/49/803401049.db2.gz ZMARQIDZDVDWSN-TZMCWYRMSA-N 2 2 294.399 0.815 20 0 CCADLP COCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001207438835 803401051 /nfs/dbraw/zinc/40/10/51/803401051.db2.gz ZMARQIDZDVDWSN-TZMCWYRMSA-N 2 2 294.399 0.815 20 0 CCADLP C(C[NH+]1CCOCC1)N1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001207469628 803407832 /nfs/dbraw/zinc/40/78/32/803407832.db2.gz VRHOYRDFXXYONU-MRXNPFEDSA-N 2 2 297.443 0.363 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001207547097 803418512 /nfs/dbraw/zinc/41/85/12/803418512.db2.gz KXLXWSYDTGBYSP-MGPQQGTHSA-N 2 2 293.415 0.270 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001207547097 803418517 /nfs/dbraw/zinc/41/85/17/803418517.db2.gz KXLXWSYDTGBYSP-MGPQQGTHSA-N 2 2 293.415 0.270 20 0 CCADLP CCOCC[NH2+][C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001207924112 803466171 /nfs/dbraw/zinc/46/61/71/803466171.db2.gz INAWZSHGAGBWIE-ZDUSSCGKSA-N 2 2 294.399 0.959 20 0 CCADLP COCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208250461 803500475 /nfs/dbraw/zinc/50/04/75/803500475.db2.gz MGBDLSVXHUXXDU-CHWSQXEVSA-N 2 2 280.372 0.356 20 0 CCADLP COCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208250461 803500478 /nfs/dbraw/zinc/50/04/78/803500478.db2.gz MGBDLSVXHUXXDU-CHWSQXEVSA-N 2 2 280.372 0.356 20 0 CCADLP COCCC[NH2+][C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001208299353 803502940 /nfs/dbraw/zinc/50/29/40/803502940.db2.gz MMQMAJKALPDBEM-AWEZNQCLSA-N 2 2 294.399 0.959 20 0 CCADLP COCCC[NH2+][C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001208299353 803502945 /nfs/dbraw/zinc/50/29/45/803502945.db2.gz MMQMAJKALPDBEM-AWEZNQCLSA-N 2 2 294.399 0.959 20 0 CCADLP CCOC(=O)C1=C(O)CC[N@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208607974 803527965 /nfs/dbraw/zinc/52/79/65/803527965.db2.gz OKEXXLIBJKOEAW-QWHCGFSZSA-N 2 2 282.384 0.782 20 0 CCADLP CCOC(=O)C1=C(O)CC[N@@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208607974 803527968 /nfs/dbraw/zinc/52/79/68/803527968.db2.gz OKEXXLIBJKOEAW-QWHCGFSZSA-N 2 2 282.384 0.782 20 0 CCADLP CCOC(=O)C1=C(O)CC[NH+](C[C@H]2CCC[N@H+](C)C2)C1 ZINC001208607974 803527970 /nfs/dbraw/zinc/52/79/70/803527970.db2.gz OKEXXLIBJKOEAW-QWHCGFSZSA-N 2 2 282.384 0.782 20 0 CCADLP CCOC(=O)C1=C(O)CC[NH+](C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001208607974 803527971 /nfs/dbraw/zinc/52/79/71/803527971.db2.gz OKEXXLIBJKOEAW-QWHCGFSZSA-N 2 2 282.384 0.782 20 0 CCADLP CN(C)C(=O)C[NH+]1CC2(CN(CC(C)(C)C[NH+](C)C)C2)C1 ZINC001276658005 803617124 /nfs/dbraw/zinc/61/71/24/803617124.db2.gz FIOZNJXNAREPML-UHFFFAOYSA-N 2 2 296.459 0.280 20 0 CCADLP CN(C)C(=O)CN1CC2(C1)C[NH+](CC(C)(C)C[NH+](C)C)C2 ZINC001276658005 803617128 /nfs/dbraw/zinc/61/71/28/803617128.db2.gz FIOZNJXNAREPML-UHFFFAOYSA-N 2 2 296.459 0.280 20 0 CCADLP C[C@H]1C[NH+](C2CN(Cc3c[nH+]ccc3N)C2)C[C@H](C)O1 ZINC001209733109 803625554 /nfs/dbraw/zinc/62/55/54/803625554.db2.gz HUHDYCVXNDSAEI-RYUDHWBXSA-N 2 2 276.384 0.788 20 0 CCADLP CN(C1CC[NH+](Cc2c[nH+]ccc2N)CC1)S(C)(=O)=O ZINC001209731645 803625962 /nfs/dbraw/zinc/62/59/62/803625962.db2.gz UNVUSRRMDNJXOL-UHFFFAOYSA-N 2 2 298.412 0.350 20 0 CCADLP CC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@H](OC)C1 ZINC001213977563 803708495 /nfs/dbraw/zinc/70/84/95/803708495.db2.gz NFIPKJPPBAUBQH-CHWSQXEVSA-N 2 2 280.372 0.499 20 0 CCADLP CC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@H](OC)C1 ZINC001213977563 803708500 /nfs/dbraw/zinc/70/85/00/803708500.db2.gz NFIPKJPPBAUBQH-CHWSQXEVSA-N 2 2 280.372 0.499 20 0 CCADLP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001216565460 803843764 /nfs/dbraw/zinc/84/37/64/803843764.db2.gz LHUHVIQJDSEXMR-UHIISALHSA-N 2 2 294.399 0.732 20 0 CCADLP C[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)[C@H]1CC[NH3+] ZINC000404302917 803850698 /nfs/dbraw/zinc/85/06/98/803850698.db2.gz QKDVFGNWKSTEAR-ILXRZTDVSA-N 3 2 269.433 0.892 20 0 CCADLP C[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)[C@H]1CC[NH3+] ZINC000404302917 803850708 /nfs/dbraw/zinc/85/07/08/803850708.db2.gz QKDVFGNWKSTEAR-ILXRZTDVSA-N 3 2 269.433 0.892 20 0 CCADLP C[C@@H]1C[NH+](CCc2nnc([C@@H]([NH3+])CCC[NH3+])o2)C[C@@H](C)O1 ZINC001217695319 803903321 /nfs/dbraw/zinc/90/33/21/803903321.db2.gz IIEBSVVUALIUKC-UTUOFQBUSA-N 3 2 297.403 0.460 20 0 CCADLP Cc1nc(Cl)cc(NC(=O)C2([NH3+])CC[NH2+]CC2)n1 ZINC001218523870 803986082 /nfs/dbraw/zinc/98/60/82/803986082.db2.gz GYFYEAZOQLTHQG-UHFFFAOYSA-N 2 2 269.736 0.458 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc(OCC2CCC2)nc1 ZINC001218591975 804023774 /nfs/dbraw/zinc/02/37/74/804023774.db2.gz ONRCMTZHZBXPCS-LBPRGKRZSA-N 2 2 278.356 0.875 20 0 CCADLP Nc1cc[nH+]c(-c2cc(NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)ccn2)c1 ZINC001218612138 804033378 /nfs/dbraw/zinc/03/33/78/804033378.db2.gz NSAQFGYXCBJOBM-BXUZGUMPSA-N 2 2 299.334 0.387 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cc(-c2ccccn2)no1 ZINC001218638412 804052291 /nfs/dbraw/zinc/05/22/91/804052291.db2.gz NSKVFBDEMQSYNB-QMMMGPOBSA-N 2 2 261.285 0.351 20 0 CCADLP [NH3+]C1(C(=O)Nc2cnc3ccc(O)cc3c2)CC[NH2+]CC1 ZINC001218640421 804055504 /nfs/dbraw/zinc/05/55/04/804055504.db2.gz PCHWKARFPUQTLT-UHFFFAOYSA-N 2 2 286.335 0.960 20 0 CCADLP Cc1cccc2ncc(NC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])n21 ZINC001218738405 804099747 /nfs/dbraw/zinc/09/97/47/804099747.db2.gz WACDGCGUGTWJIW-UWVGGRQHSA-N 2 2 259.313 0.128 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccc(C3CCC3)nc2)C1 ZINC001218739058 804100217 /nfs/dbraw/zinc/10/02/17/804100217.db2.gz UZBPHJPYJRIAAJ-MFKMUULPSA-N 2 2 260.341 0.977 20 0 CCADLP [NH3+]C1(C(=O)Nc2cc(Cl)nc3ccnn32)CC[NH2+]CC1 ZINC001218746090 804108011 /nfs/dbraw/zinc/10/80/11/804108011.db2.gz YFMJAPPLBKXMOY-UHFFFAOYSA-N 2 2 294.746 0.402 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1csc(-c2ccncc2)n1 ZINC001218765448 804116565 /nfs/dbraw/zinc/11/65/65/804116565.db2.gz WAJQZUIGICCMDQ-UWVGGRQHSA-N 2 2 289.364 0.690 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1cnn2cc(F)ccc12 ZINC001218799653 804124499 /nfs/dbraw/zinc/12/44/99/804124499.db2.gz YIFWWXMWMHGCQF-UHFFFAOYSA-N 2 2 291.330 0.754 20 0 CCADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001218810856 804130586 /nfs/dbraw/zinc/13/05/86/804130586.db2.gz BHJKWHFBBZAMDL-TUKIKUTGSA-N 2 2 297.362 0.761 20 0 CCADLP Cc1ccc(CO)cc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218812389 804132034 /nfs/dbraw/zinc/13/20/34/804132034.db2.gz RDEQDXFTEPJZPW-LBPRGKRZSA-N 2 2 274.324 0.719 20 0 CCADLP COC(=O)c1cc(OC)ccc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218822156 804133033 /nfs/dbraw/zinc/13/30/33/804133033.db2.gz NKQFIWAJWGAADT-PELKAZGASA-N 2 2 293.323 0.110 20 0 CCADLP Cn1nnc2cc(NC(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)ccc21 ZINC001218878328 804146378 /nfs/dbraw/zinc/14/63/78/804146378.db2.gz MTFYLKHYIGRFOF-RULNRJAQSA-N 2 2 286.339 0.129 20 0 CCADLP Cc1n[nH]c2cc(NC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])ccc12 ZINC001218932190 804159322 /nfs/dbraw/zinc/15/93/22/804159322.db2.gz NSUHBUURTWKVKE-QWRGUYRKSA-N 2 2 259.313 0.357 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccccc1-c1cnco1 ZINC001218928028 804159877 /nfs/dbraw/zinc/15/98/77/804159877.db2.gz OAZZOHYCRIYBIT-JTQLQIEISA-N 2 2 260.297 0.956 20 0 CCADLP NC(=S)c1cccc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)c1 ZINC001218968535 804169698 /nfs/dbraw/zinc/16/96/98/804169698.db2.gz MUXAYWDDTPTVLU-GYSYKLTISA-N 2 2 290.392 0.481 20 0 CCADLP [NH3+]C1(C(=O)Nc2ccccc2-c2nc[nH]n2)CC[NH2+]CC1 ZINC001218975184 804171678 /nfs/dbraw/zinc/17/16/78/804171678.db2.gz LSAULQXUBFPCJY-UHFFFAOYSA-N 2 2 286.339 0.491 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001218995246 804178539 /nfs/dbraw/zinc/17/85/39/804178539.db2.gz DLESKBJJOJKWRK-AAEUAGOBSA-N 3 2 262.357 0.378 20 0 CCADLP Cc1cc(Cl)c(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc1O ZINC001219032995 804183854 /nfs/dbraw/zinc/18/38/54/804183854.db2.gz BIPAKMUSIURYNL-CBAPKCEASA-N 2 2 269.732 0.839 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccc3ncncc3c2)C1 ZINC001219107538 804201646 /nfs/dbraw/zinc/20/16/46/804201646.db2.gz LJFWJKYNYVBSRM-SKDRFNHKSA-N 2 2 257.297 0.258 20 0 CCADLP COc1cnc2c(cccc2NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c1 ZINC001219181904 804227730 /nfs/dbraw/zinc/22/77/30/804227730.db2.gz FHSGJSMXBJQSRS-MFKMUULPSA-N 2 2 286.335 0.871 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)[C@]2(C)CC(F)(F)C[NH2+]2)C[NH2+]1 ZINC001219582911 804357613 /nfs/dbraw/zinc/35/76/13/804357613.db2.gz NWFLRHVXQDCUIC-QXEWZRGKSA-N 2 2 261.316 0.630 20 0 CCADLP Cc1cc2c(cc1CNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)OCCO2 ZINC001219606817 804373404 /nfs/dbraw/zinc/37/34/04/804373404.db2.gz UAEJTIPLUKIRJQ-NEPJUHHUSA-N 2 2 291.351 0.072 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)[C@@H]([NH3+])C2Cc3ccccc3C2)c1 ZINC001219634437 804383645 /nfs/dbraw/zinc/38/36/45/804383645.db2.gz XLDKKMGKWWYVDZ-INIZCTEOSA-N 2 2 298.390 0.821 20 0 CCADLP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@]2(C)CC(F)(F)C[NH2+]2)C1 ZINC001219641707 804386578 /nfs/dbraw/zinc/38/65/78/804386578.db2.gz KQUDYXZFFHEJQT-JBLDHEPKSA-N 2 2 275.343 0.736 20 0 CCADLP Nc1cc(CC(=O)NC2CC3(C2)CC[NH2+]CC3)cc[nH+]1 ZINC001219777893 804422835 /nfs/dbraw/zinc/42/28/35/804422835.db2.gz TULANEZXCJARAV-UHFFFAOYSA-N 2 2 274.368 0.855 20 0 CCADLP [NH3+]C1(C(=O)NC[C@@H]2Cc3ccccc3O2)CC[NH2+]CC1 ZINC001219925843 804450794 /nfs/dbraw/zinc/45/07/94/804450794.db2.gz YGGNWUJXQAYRHJ-LBPRGKRZSA-N 2 2 275.352 0.187 20 0 CCADLP O=C(NCCOc1ccccc1F)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219936351 804451836 /nfs/dbraw/zinc/45/18/36/804451836.db2.gz AOVYEHRKGXVKHE-WCFLWFBJSA-N 2 2 293.342 0.271 20 0 CCADLP Cn1c(CNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)cc2ccccc21 ZINC001219934974 804452227 /nfs/dbraw/zinc/45/22/27/804452227.db2.gz WDGHUMBIJCVTTC-CXAGYDPISA-N 2 2 298.390 0.746 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 ZINC001219989837 804467058 /nfs/dbraw/zinc/46/70/58/804467058.db2.gz RNCGJMSIRAZXQY-AHKNTWRYSA-N 2 2 263.385 0.474 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2ccccc2C2CC2)C1 ZINC001220003048 804467772 /nfs/dbraw/zinc/46/77/72/804467772.db2.gz GPQWRCANFRMWRY-OCCSQVGLSA-N 2 2 259.353 0.869 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NCc2ccncn2)cc1 ZINC001220004963 804468611 /nfs/dbraw/zinc/46/86/11/804468611.db2.gz KYJFKZAVHWNMLS-ZDUSSCGKSA-N 2 2 271.324 0.365 20 0 CCADLP C[NH+]1CC(NC(=O)C[C@@H]([NH3+])CCC(=O)OC(C)(C)C)C1 ZINC001220013011 804472151 /nfs/dbraw/zinc/47/21/51/804472151.db2.gz GEFNRZNLWHVEIV-JTQLQIEISA-N 2 2 285.388 0.256 20 0 CCADLP CCCCOC(=O)[C@H](C)NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220049709 804485082 /nfs/dbraw/zinc/48/50/82/804485082.db2.gz OZISYUPHUCRLLW-OXIWPEFWSA-N 2 2 283.372 0.056 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001220160345 804522365 /nfs/dbraw/zinc/52/23/65/804522365.db2.gz YBPCTVUORNXRKI-ZDUSSCGKSA-N 3 2 280.416 0.069 20 0 CCADLP C[C@H](NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)c1cncnc1 ZINC001220183822 804531086 /nfs/dbraw/zinc/53/10/86/804531086.db2.gz ZNSPRRGIHLPEGW-HZMBPMFUSA-N 2 2 285.351 0.926 20 0 CCADLP C[C@]1(C(=O)NCC2([NH+]3CCCC3)COC2)CCC[NH2+]1 ZINC001220198005 804533491 /nfs/dbraw/zinc/53/34/91/804533491.db2.gz ZJIXKNZRXXFMFN-CYBMUJFWSA-N 2 2 267.373 0.110 20 0 CCADLP C[NH2+][C@@H](CC(C)C)C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001220197540 804534307 /nfs/dbraw/zinc/53/43/07/804534307.db2.gz ITDRVYAWPHOJMP-ZDUSSCGKSA-N 2 2 283.416 0.602 20 0 CCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001220238654 804544548 /nfs/dbraw/zinc/54/45/48/804544548.db2.gz ZFQNFYRUWJWUBJ-GJJFQZOLSA-N 2 2 289.807 0.242 20 0 CCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001220238654 804544556 /nfs/dbraw/zinc/54/45/56/804544556.db2.gz ZFQNFYRUWJWUBJ-GJJFQZOLSA-N 2 2 289.807 0.242 20 0 CCADLP C[C@H](CCCC(C)(C)O)NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220243694 804546727 /nfs/dbraw/zinc/54/67/27/804546727.db2.gz WOHHTRNMNUVIGS-TYNCELHUSA-N 2 2 283.416 0.384 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CCNC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220254326 804552456 /nfs/dbraw/zinc/55/24/56/804552456.db2.gz ODXYBSHRXGTHLS-HUUCEWRRSA-N 3 2 290.411 0.859 20 0 CCADLP C[N@H+]1CCC[C@@H]1CCNC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220254326 804552464 /nfs/dbraw/zinc/55/24/64/804552464.db2.gz ODXYBSHRXGTHLS-HUUCEWRRSA-N 3 2 290.411 0.859 20 0 CCADLP [NH3+]CC1CCC(C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)CC1 ZINC001220291010 804563494 /nfs/dbraw/zinc/56/34/94/804563494.db2.gz JTGDBZUINSDVRH-GCZXYKMCSA-N 2 2 280.372 0.194 20 0 CCADLP [NH3+]CC1CCC(C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)CC1 ZINC001220291010 804563499 /nfs/dbraw/zinc/56/34/99/804563499.db2.gz JTGDBZUINSDVRH-GCZXYKMCSA-N 2 2 280.372 0.194 20 0 CCADLP CCCCC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220370773 804583779 /nfs/dbraw/zinc/58/37/79/804583779.db2.gz CJIOGEVYCLCORK-JQWIXIFHSA-N 2 2 280.372 0.554 20 0 CCADLP CC(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001220520667 804618191 /nfs/dbraw/zinc/61/81/91/804618191.db2.gz ZUDLGTYKMUGTEB-YUTCNCBUSA-N 2 2 294.399 0.406 20 0 CCADLP CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001220520667 804618194 /nfs/dbraw/zinc/61/81/94/804618194.db2.gz ZUDLGTYKMUGTEB-YUTCNCBUSA-N 2 2 294.399 0.406 20 0 CCADLP CC(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001220520667 804618197 /nfs/dbraw/zinc/61/81/97/804618197.db2.gz ZUDLGTYKMUGTEB-YUTCNCBUSA-N 2 2 294.399 0.406 20 0 CCADLP CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001220520667 804618198 /nfs/dbraw/zinc/61/81/98/804618198.db2.gz ZUDLGTYKMUGTEB-YUTCNCBUSA-N 2 2 294.399 0.406 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001220584919 804629441 /nfs/dbraw/zinc/62/94/41/804629441.db2.gz ORDKQQQAKZSWGG-AIIUZBJTSA-N 2 2 289.807 0.242 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001220584919 804629443 /nfs/dbraw/zinc/62/94/43/804629443.db2.gz ORDKQQQAKZSWGG-AIIUZBJTSA-N 2 2 289.807 0.242 20 0 CCADLP O=C(NCCc1ccc2[nH]ccc2c1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220591012 804633245 /nfs/dbraw/zinc/63/32/45/804633245.db2.gz SZGWLPHOEXSDMX-YOEHRIQHSA-N 2 2 298.390 0.778 20 0 CCADLP O=C(NCc1ccccc1N1CC[NH2+]CC1)C1(F)C[NH2+]C1 ZINC001220649452 804642933 /nfs/dbraw/zinc/64/29/33/804642933.db2.gz XXSCCRXXDDADMG-UHFFFAOYSA-N 2 2 292.358 0.024 20 0 CCADLP O=C(NCc1cccc2cc[nH]c21)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220714519 804655421 /nfs/dbraw/zinc/65/54/21/804655421.db2.gz OMKDIUIVQZRAEY-CJNGLKHVSA-N 2 2 284.363 0.736 20 0 CCADLP C[N@@H+]1CCc2nc(C(=O)N[C@@H]3CCC[NH2+]C3)sc2C1 ZINC001220896402 804695720 /nfs/dbraw/zinc/69/57/20/804695720.db2.gz LANLFQICZNYGMP-SECBINFHSA-N 2 2 280.397 0.613 20 0 CCADLP C[N@H+]1CCc2nc(C(=O)N[C@@H]3CCC[NH2+]C3)sc2C1 ZINC001220896402 804695723 /nfs/dbraw/zinc/69/57/23/804695723.db2.gz LANLFQICZNYGMP-SECBINFHSA-N 2 2 280.397 0.613 20 0 CCADLP O=C(N[C@@H]1CCc2c1cccc2O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221394946 804800486 /nfs/dbraw/zinc/80/04/86/804800486.db2.gz JJTIQGPHUCAWBW-WNMQOVRZSA-N 2 2 287.363 0.447 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N1CCC[C@@H]([NH2+]CCCO)C1 ZINC001222092563 804865568 /nfs/dbraw/zinc/86/55/68/804865568.db2.gz SHXCKGJJZXOVIK-CQSZACIVSA-N 2 2 294.399 0.626 20 0 CCADLP OC1C[NH+](Cc2ccc(-c3cc4c(nn3)C[NH2+]C4)cc2)C1 ZINC001243638384 807042483 /nfs/dbraw/zinc/04/24/83/807042483.db2.gz HEBRMFVKFCSGTK-UHFFFAOYSA-N 2 2 282.347 0.923 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1CCO ZINC001088679442 815056059 /nfs/dbraw/zinc/05/60/59/815056059.db2.gz PWPQBNCUGJHCJO-UPJWGTAASA-N 2 2 292.383 0.017 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[N@H+]1CCO ZINC001088679442 815056063 /nfs/dbraw/zinc/05/60/63/815056063.db2.gz PWPQBNCUGJHCJO-UPJWGTAASA-N 2 2 292.383 0.017 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]CCO ZINC001226697458 805268307 /nfs/dbraw/zinc/26/83/07/805268307.db2.gz VQWKKTBDJCCUSR-CHWSQXEVSA-N 2 2 280.372 0.352 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCCC[C@H]1[NH2+]CCO ZINC001226697458 805268315 /nfs/dbraw/zinc/26/83/15/805268315.db2.gz VQWKKTBDJCCUSR-CHWSQXEVSA-N 2 2 280.372 0.352 20 0 CCADLP C[NH+](C)CCC(=O)NC1CC[NH+](Cc2ccon2)CC1 ZINC001228992317 805493679 /nfs/dbraw/zinc/49/36/79/805493679.db2.gz PEIBPGLMPRUSIA-UHFFFAOYSA-N 2 2 280.372 0.707 20 0 CCADLP COc1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC001245984765 807106598 /nfs/dbraw/zinc/10/65/98/807106598.db2.gz YEXCJCWOQRWNCZ-OLZOCXBDSA-N 2 2 280.368 0.777 20 0 CCADLP CCC[C@H](O)C[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001245983437 807106653 /nfs/dbraw/zinc/10/66/53/807106653.db2.gz GLBDKBGWFRRYOB-STQMWFEESA-N 3 2 255.406 0.611 20 0 CCADLP C[C@H]1C[NH2+]C[C@@H](C[NH2+]C[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC001245987044 807108248 /nfs/dbraw/zinc/10/82/48/807108248.db2.gz AYWYSNJTVMTFMW-BSWAZPDLSA-N 3 2 291.439 0.753 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@H]1[NH2+]C[C@H](O)CCOCc1ccccc1 ZINC001245995983 807110026 /nfs/dbraw/zinc/11/00/26/807110026.db2.gz PQUALOANYLPFQP-ARFHVFGLSA-N 2 2 294.395 0.124 20 0 CCADLP COC(=O)[C@H]([NH3+])Cc1cn(C2CCC([NH+](C)C)CC2)cn1 ZINC001168316451 815091717 /nfs/dbraw/zinc/09/17/17/815091717.db2.gz YYLNBVZJABCRJH-JXQTWKCFSA-N 2 2 294.399 0.971 20 0 CCADLP CC1(C[NH3+])C[NH+](C[C@@H](O)COc2ccc(CCO)cc2)C1 ZINC001246037883 807129967 /nfs/dbraw/zinc/12/99/67/807129967.db2.gz WSWZGVQQFBKNEV-CQSZACIVSA-N 2 2 294.395 0.242 20 0 CCADLP [NH3+][C@]12CC[C@@H]1C[N@H+](C[C@@H](O)COCc1ccccc1)C2 ZINC001246045964 807132234 /nfs/dbraw/zinc/13/22/34/807132234.db2.gz MBLLKYRHOJWZAV-OAGGEKHMSA-N 2 2 276.380 0.987 20 0 CCADLP [NH3+][C@]12CC[C@@H]1C[N@@H+](C[C@@H](O)COCc1ccccc1)C2 ZINC001246045964 807132240 /nfs/dbraw/zinc/13/22/40/807132240.db2.gz MBLLKYRHOJWZAV-OAGGEKHMSA-N 2 2 276.380 0.987 20 0 CCADLP [NH3+][C@]12C[C@H]1C[N@H+](C[C@@H](O)CCOCc1ccccc1)C2 ZINC001246047740 807133900 /nfs/dbraw/zinc/13/39/00/807133900.db2.gz SRXCLNRBFIOWIG-JYJNAYRXSA-N 2 2 276.380 0.987 20 0 CCADLP [NH3+][C@]12C[C@H]1C[N@@H+](C[C@@H](O)CCOCc1ccccc1)C2 ZINC001246047740 807133904 /nfs/dbraw/zinc/13/39/04/807133904.db2.gz SRXCLNRBFIOWIG-JYJNAYRXSA-N 2 2 276.380 0.987 20 0 CCADLP C[C@@](O)(C[N@@H+]1CCC[C@@H]1C[NH3+])C(=O)OCc1ccccc1 ZINC001246062848 807139050 /nfs/dbraw/zinc/13/90/50/807139050.db2.gz KCOAUJMBWZTDGQ-GDBMZVCRSA-N 2 2 292.379 0.904 20 0 CCADLP C[C@@](O)(C[N@H+]1CCC[C@@H]1C[NH3+])C(=O)OCc1ccccc1 ZINC001246062848 807139052 /nfs/dbraw/zinc/13/90/52/807139052.db2.gz KCOAUJMBWZTDGQ-GDBMZVCRSA-N 2 2 292.379 0.904 20 0 CCADLP COc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001246068869 807140314 /nfs/dbraw/zinc/14/03/14/807140314.db2.gz XURRJPGPJUABSV-OLZOCXBDSA-N 2 2 280.368 0.858 20 0 CCADLP COc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]1C[NH3+] ZINC001246068869 807140317 /nfs/dbraw/zinc/14/03/17/807140317.db2.gz XURRJPGPJUABSV-OLZOCXBDSA-N 2 2 280.368 0.858 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@@H](NC2CC[NH2+]CC2)C[NH2+]1 ZINC001246071939 807141209 /nfs/dbraw/zinc/14/12/09/807141209.db2.gz DQKOASJFSQOVDE-DGCLKSJQSA-N 2 2 255.362 0.012 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)C[C@@H]1C(=O)OC ZINC001246083721 807146800 /nfs/dbraw/zinc/14/68/00/807146800.db2.gz ITEXOHFRJDLNMC-PJSNJIKXSA-N 2 2 298.383 0.457 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[NH2+]C2)C[C@@H]1C(=O)OC ZINC001246089882 807149524 /nfs/dbraw/zinc/14/95/24/807149524.db2.gz HMCBRLNKCANYOD-LPWJVIDDSA-N 2 2 298.383 0.459 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H](NC2(C)C[NH2+]C2)C[NH2+]1 ZINC001246118716 807158013 /nfs/dbraw/zinc/15/80/13/807158013.db2.gz ARRPHJSUGRUUEG-ZJUUUORDSA-N 2 2 255.362 0.010 20 0 CCADLP [NH3+]CC[N@H+](Cc1ccccc1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246126642 807161584 /nfs/dbraw/zinc/16/15/84/807161584.db2.gz IFOZHPGAVHOYOE-OAHLLOKOSA-N 3 2 274.412 0.541 20 0 CCADLP [NH3+]CC[N@@H+](Cc1ccccc1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246126642 807161587 /nfs/dbraw/zinc/16/15/87/807161587.db2.gz IFOZHPGAVHOYOE-OAHLLOKOSA-N 3 2 274.412 0.541 20 0 CCADLP C([NH2+]C1CC[NH2+]CC1)[C@@]12CCCO[C@@H]1CC[NH2+]C2 ZINC001246140164 807164069 /nfs/dbraw/zinc/16/40/69/807164069.db2.gz AHISTRVDLISEKB-KGLIPLIRSA-N 3 2 253.390 0.487 20 0 CCADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@@H]2COC3)CC[NH2+]1 ZINC001246152041 807168922 /nfs/dbraw/zinc/16/89/22/807168922.db2.gz WMWMGIALKCHMHG-AIEDFZFUSA-N 3 2 267.417 0.587 20 0 CCADLP COC[C@@H]([NH2+]C1CC[NH2+]CC1)C(=O)NCc1ccccc1 ZINC001246180335 807177592 /nfs/dbraw/zinc/17/75/92/807177592.db2.gz VVAUMYQKWXGICI-OAHLLOKOSA-N 2 2 291.395 0.659 20 0 CCADLP COC(=O)[C@H](O)[C@@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC001246198662 807183776 /nfs/dbraw/zinc/18/37/76/807183776.db2.gz TVCBLBNFLOUPKF-PMOUVXMZSA-N 2 2 292.379 0.992 20 0 CCADLP C[C@H]1CC[C@@H]([NH2+][C@@H]2CCCN(C3COC3)C2)C[NH2+]1 ZINC001246223828 807191640 /nfs/dbraw/zinc/19/16/40/807191640.db2.gz VILHVGFZLFDIPY-YNEHKIRRSA-N 2 2 253.390 0.580 20 0 CCADLP C[C@@H]1CC[C@@H]([NH2+]CCN2CCC[N@H+](C)CC2)C[NH2+]1 ZINC001246241116 807196280 /nfs/dbraw/zinc/19/62/80/807196280.db2.gz QASZIYSUUWZHSU-ZIAGYGMSSA-N 3 2 254.422 0.354 20 0 CCADLP C[C@@H]1CC[C@@H]([NH2+]CCN2CCC[N@@H+](C)CC2)C[NH2+]1 ZINC001246241116 807196283 /nfs/dbraw/zinc/19/62/83/807196283.db2.gz QASZIYSUUWZHSU-ZIAGYGMSSA-N 3 2 254.422 0.354 20 0 CCADLP COC(=O)[C@H]1C[C@@H](NC[C@H]2Cc3ccccc3C[NH2+]2)C[NH2+]1 ZINC001246283526 807207323 /nfs/dbraw/zinc/20/73/23/807207323.db2.gz WQVQFYAXCZJWES-RBSFLKMASA-N 2 2 289.379 0.194 20 0 CCADLP COC(=O)[C@@H]1C[C@H](NC[C@@H]([NH3+])c2ccccc2)C[NH2+]1 ZINC001246295962 807210808 /nfs/dbraw/zinc/21/08/08/807210808.db2.gz ZNDKLZLMLVPYQU-XQQFMLRXSA-N 2 2 263.341 0.180 20 0 CCADLP CCOC(=O)[C@H](CC)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246332146 807225687 /nfs/dbraw/zinc/22/56/87/807225687.db2.gz ZYCBSICCMSPHGB-MNOVXSKESA-N 2 2 255.362 0.012 20 0 CCADLP CC[C@@]1(C(=O)OC)C[C@@H](N[C@@H](C[NH3+])C(C)(C)C)C[NH2+]1 ZINC001246349110 807228366 /nfs/dbraw/zinc/22/83/66/807228366.db2.gz WQKLWKZZPGJKHM-SUNKGSAMSA-N 2 2 271.405 0.633 20 0 CCADLP CC[C@H]1CC([NH2+]CCN2CC[NH2+]CC2=O)C[C@H](CC)[NH2+]1 ZINC001246356909 807232213 /nfs/dbraw/zinc/23/22/13/807232213.db2.gz QWKQRENRIHWLRF-STQMWFEESA-N 3 2 282.432 0.317 20 0 CCADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCN(c3cnccn3)C2)C[NH2+]1 ZINC001246369116 807235907 /nfs/dbraw/zinc/23/59/07/807235907.db2.gz PYSWOEYVZLTYSJ-JHJVBQTASA-N 2 2 261.373 0.785 20 0 CCADLP COC(=O)[C@H]1C[C@H](NC[C@]2(CC3CC3)CCC[NH2+]2)C[NH2+]1 ZINC001246458721 807255145 /nfs/dbraw/zinc/25/51/45/807255145.db2.gz BMZIHJBGXLPITH-GZBFAFLISA-N 2 2 281.400 0.402 20 0 CCADLP CCCCOC(=O)CC[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246489300 807263693 /nfs/dbraw/zinc/26/36/93/807263693.db2.gz MYUWNKMFKZNZAF-CHWSQXEVSA-N 2 2 271.405 0.649 20 0 CCADLP C[C@H]1C[NH2+]C[C@@H](N[C@@H]2C[NH2+][C@H](C(=O)OC(C)(C)C)C2)C1 ZINC001246494762 807264930 /nfs/dbraw/zinc/26/49/30/807264930.db2.gz HODIKUUXBKGCPX-VOAKCMCISA-N 2 2 283.416 0.646 20 0 CCADLP Fc1cc2c(cc1F)CC([NH2+]C[C@H]1C[NH2+]CCN1)C2 ZINC001246496365 807265091 /nfs/dbraw/zinc/26/50/91/807265091.db2.gz MYGBBOWKZCTWQL-GFCCVEGCSA-N 2 2 267.323 0.583 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@@](C)([NH3+])C2)CO1 ZINC001246527500 807273216 /nfs/dbraw/zinc/27/32/16/807273216.db2.gz DZSWMPYLKSPCFW-GMXVVIOVSA-N 2 2 256.346 0.520 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@@](C)([NH3+])C2)CO1 ZINC001246527500 807273219 /nfs/dbraw/zinc/27/32/19/807273219.db2.gz DZSWMPYLKSPCFW-GMXVVIOVSA-N 2 2 256.346 0.520 20 0 CCADLP CC[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@](O)(C[NH3+])C2)CC[NH2+]1 ZINC001246561620 807290580 /nfs/dbraw/zinc/29/05/80/807290580.db2.gz RIBXPCQHAVKXED-HZSPNIEDSA-N 3 2 255.406 0.693 20 0 CCADLP CC[C@@H]1C[C@@H]([N@H+]2CCCC[C@@](O)(C[NH3+])C2)CC[NH2+]1 ZINC001246561620 807290582 /nfs/dbraw/zinc/29/05/82/807290582.db2.gz RIBXPCQHAVKXED-HZSPNIEDSA-N 3 2 255.406 0.693 20 0 CCADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@@H](O)[C@@H](C[NH3+])C1)C2 ZINC001246581071 807302418 /nfs/dbraw/zinc/30/24/18/807302418.db2.gz PCCWMVIRHOUQND-ODXJTPSBSA-N 3 2 253.390 0.253 20 0 CCADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@@H](O)[C@@H](C[NH3+])C1)C2 ZINC001246581071 807302427 /nfs/dbraw/zinc/30/24/27/807302427.db2.gz PCCWMVIRHOUQND-ODXJTPSBSA-N 3 2 253.390 0.253 20 0 CCADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1)C2 ZINC001246581071 807302436 /nfs/dbraw/zinc/30/24/36/807302436.db2.gz PCCWMVIRHOUQND-ODXJTPSBSA-N 3 2 253.390 0.253 20 0 CCADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1)C2 ZINC001246581071 807302445 /nfs/dbraw/zinc/30/24/45/807302445.db2.gz PCCWMVIRHOUQND-ODXJTPSBSA-N 3 2 253.390 0.253 20 0 CCADLP CC[C@@H]1C[C@@H]([N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)C[C@H](CC)[NH2+]1 ZINC001246646303 807345470 /nfs/dbraw/zinc/34/54/70/807345470.db2.gz XAPUFYVHFMIVHG-FZKCQIBNSA-N 3 2 280.460 0.933 20 0 CCADLP CC[C@@H]1C[C@@H]([N@H+]2CCN[C@]3(CC[NH2+]C3)C2)C[C@H](CC)[NH2+]1 ZINC001246646303 807345477 /nfs/dbraw/zinc/34/54/77/807345477.db2.gz XAPUFYVHFMIVHG-FZKCQIBNSA-N 3 2 280.460 0.933 20 0 CCADLP c1ccc2c(c1)C[NH2+][C@@H]1C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]21 ZINC001246666337 807351368 /nfs/dbraw/zinc/35/13/68/807351368.db2.gz TVEHJTUUHSZSMH-HYVNUMGLSA-N 3 2 298.434 0.652 20 0 CCADLP c1ccc2c(c1)C[NH2+][C@@H]1C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]21 ZINC001246666337 807351377 /nfs/dbraw/zinc/35/13/77/807351377.db2.gz TVEHJTUUHSZSMH-HYVNUMGLSA-N 3 2 298.434 0.652 20 0 CCADLP CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2[C@H]2CCC[NH2+]C2)O1 ZINC001246697640 807357846 /nfs/dbraw/zinc/35/78/46/807357846.db2.gz TVUGKQHFBPLFAA-LOWDOPEQSA-N 2 2 267.373 0.058 20 0 CCADLP CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2[C@H]2CCC[NH2+]C2)O1 ZINC001246697640 807357856 /nfs/dbraw/zinc/35/78/56/807357856.db2.gz TVUGKQHFBPLFAA-LOWDOPEQSA-N 2 2 267.373 0.058 20 0 CCADLP CC(=O)N1CCC2(CC1)C[N@H+]([C@@H]1CC[NH2+][C@H](C)C1)CCO2 ZINC001246722762 807367569 /nfs/dbraw/zinc/36/75/69/807367569.db2.gz SEUYDVIAIXBXLA-UKRRQHHQSA-N 2 2 295.427 0.840 20 0 CCADLP CC(=O)N1CCC2(CC1)C[N@@H+]([C@@H]1CC[NH2+][C@H](C)C1)CCO2 ZINC001246722762 807367576 /nfs/dbraw/zinc/36/75/76/807367576.db2.gz SEUYDVIAIXBXLA-UKRRQHHQSA-N 2 2 295.427 0.840 20 0 CCADLP CC(C)c1nnc2n1CC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246794345 807382676 /nfs/dbraw/zinc/38/26/76/807382676.db2.gz DWEVYZNPJSKGQA-GFCCVEGCSA-N 2 2 290.415 0.311 20 0 CCADLP CC(C)c1nnc2n1CC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246794345 807382684 /nfs/dbraw/zinc/38/26/84/807382684.db2.gz DWEVYZNPJSKGQA-GFCCVEGCSA-N 2 2 290.415 0.311 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N2CC[NH+](CC3CCCC3)CC2)C[NH2+]1 ZINC001246794137 807384139 /nfs/dbraw/zinc/38/41/39/807384139.db2.gz GBVAOZIQUWPCSN-CABCVRRESA-N 2 2 295.427 0.698 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N2CC[C@@H]([NH+]3CCCCC3)C2)C[NH2+]1 ZINC001246800539 807388203 /nfs/dbraw/zinc/38/82/03/807388203.db2.gz QNCCEJMGPZATEU-RDBSUJKOSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@H]1C[C@H]([N@H+](C)CCN2CC[NH+](C)CC2)CC[NH2+]1 ZINC001246848993 807405620 /nfs/dbraw/zinc/40/56/20/807405620.db2.gz PGIVILWKMQVLSM-UONOGXRCSA-N 3 2 254.422 0.306 20 0 CCADLP C[C@H]1C[C@H]([N@@H+](C)CCN2CC[NH+](C)CC2)CC[NH2+]1 ZINC001246848993 807405622 /nfs/dbraw/zinc/40/56/22/807405622.db2.gz PGIVILWKMQVLSM-UONOGXRCSA-N 3 2 254.422 0.306 20 0 CCADLP COC(=O)[C@@H]([NH3+])C1CC[NH+]([C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246866147 807413284 /nfs/dbraw/zinc/41/32/84/807413284.db2.gz ADIYMBKOMZYQRX-RTXFEEFZSA-N 3 2 269.389 0.339 20 0 CCADLP [NH3+][C@]12C[C@H]1C[N@@H+](C1CCC([NH+]3CCOCC3)CC1)C2 ZINC001246868055 807415134 /nfs/dbraw/zinc/41/51/34/807415134.db2.gz JSGSWWWBOMPANH-PPWQZUPISA-N 3 2 265.401 0.663 20 0 CCADLP [NH3+][C@]12C[C@H]1C[N@H+](C1CCC([NH+]3CCOCC3)CC1)C2 ZINC001246868055 807415137 /nfs/dbraw/zinc/41/51/37/807415137.db2.gz JSGSWWWBOMPANH-PPWQZUPISA-N 3 2 265.401 0.663 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2C[NH3+])C[C@H]1C(=O)OC ZINC001246912821 807425281 /nfs/dbraw/zinc/42/52/81/807425281.db2.gz HSZHVVWDHPXTCI-FDYHWXHSSA-N 2 2 298.383 0.540 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H]2C[NH3+])C[C@H]1C(=O)OC ZINC001246912821 807425285 /nfs/dbraw/zinc/42/52/85/807425285.db2.gz HSZHVVWDHPXTCI-FDYHWXHSSA-N 2 2 298.383 0.540 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)CN1 ZINC001246922716 807429276 /nfs/dbraw/zinc/42/92/76/807429276.db2.gz XUMMAWXCXUPDPY-RFGFWPKPSA-N 2 2 281.400 0.306 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)CN1 ZINC001246922716 807429277 /nfs/dbraw/zinc/42/92/77/807429277.db2.gz XUMMAWXCXUPDPY-RFGFWPKPSA-N 2 2 281.400 0.306 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH+]2C[C@H]3CCC[N@H+](C)[C@H]3C2)CN1 ZINC001246922716 807429279 /nfs/dbraw/zinc/42/92/79/807429279.db2.gz XUMMAWXCXUPDPY-RFGFWPKPSA-N 2 2 281.400 0.306 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH+]2C[C@H]3CCC[N@@H+](C)[C@H]3C2)CN1 ZINC001246922716 807429282 /nfs/dbraw/zinc/42/92/82/807429282.db2.gz XUMMAWXCXUPDPY-RFGFWPKPSA-N 2 2 281.400 0.306 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](C2CCC3(CCC[NH2+]C3)CC2)C[C@@H]1[NH3+] ZINC001246929105 807432366 /nfs/dbraw/zinc/43/23/66/807432366.db2.gz CNXCLHDAJWZBBF-WJEHIRDRSA-N 3 2 295.427 0.731 20 0 CCADLP COC(=O)[C@H]1C[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C[C@@H]1[NH3+] ZINC001246929105 807432368 /nfs/dbraw/zinc/43/23/68/807432368.db2.gz CNXCLHDAJWZBBF-WJEHIRDRSA-N 3 2 295.427 0.731 20 0 CCADLP CCOC1CCC([N@@H+]2C[C@H]([NH3+])[C@@H](C(=O)OC)C2)CC1 ZINC001246935827 807434130 /nfs/dbraw/zinc/43/41/30/807434130.db2.gz YWOJDFGIADRVGN-TYUFSLCMSA-N 2 2 270.373 0.766 20 0 CCADLP CCOC1CCC([N@H+]2C[C@H]([NH3+])[C@@H](C(=O)OC)C2)CC1 ZINC001246935827 807434133 /nfs/dbraw/zinc/43/41/33/807434133.db2.gz YWOJDFGIADRVGN-TYUFSLCMSA-N 2 2 270.373 0.766 20 0 CCADLP CCC[NH+]1C[C@@H]2C[NH+]([C@@H]3CN[C@H](C(=O)OC)C3)C[C@H]2C1 ZINC001246941389 807437221 /nfs/dbraw/zinc/43/72/21/807437221.db2.gz KGPKFNAGJFWGRD-MQYQWHSLSA-N 2 2 281.400 0.164 20 0 CCADLP C[C@@H]1C[C@@H]([N@@H+]2Cc3ccnn3CC[C@H]2CO)CC[NH2+]1 ZINC001246944860 807437879 /nfs/dbraw/zinc/43/78/79/807437879.db2.gz XZYYOVNXRQPKRF-DYEKYZERSA-N 2 2 264.373 0.590 20 0 CCADLP C[C@@H]1C[C@@H]([N@H+]2Cc3ccnn3CC[C@H]2CO)CC[NH2+]1 ZINC001246944860 807437885 /nfs/dbraw/zinc/43/78/85/807437885.db2.gz XZYYOVNXRQPKRF-DYEKYZERSA-N 2 2 264.373 0.590 20 0 CCADLP COc1cnc(N2CC[NH+]([C@@H]3CC[NH2+][C@@H](C)C3)CC2)nc1 ZINC001246957900 807440614 /nfs/dbraw/zinc/44/06/14/807440614.db2.gz DTMDGPSLGWFCPR-QWHCGFSZSA-N 2 2 291.399 0.748 20 0 CCADLP [NH3+]C[C@H]([NH3+])Cc1nc(-c2ccncc2Br)no1 ZINC001249128497 807544345 /nfs/dbraw/zinc/54/43/45/807544345.db2.gz DRLCTVJDYCCBKI-ZCFIWIBFSA-N 2 2 298.144 0.723 20 0 CCADLP CCN(CC[NH+]1CCCC1)C[C@@H](O)C[NH+]1CCOCC1 ZINC001251015950 807641214 /nfs/dbraw/zinc/64/12/14/807641214.db2.gz PPQTZHRQFFNZPK-OAHLLOKOSA-N 2 2 285.432 0.097 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC001251705580 807695475 /nfs/dbraw/zinc/69/54/75/807695475.db2.gz SFJLIEIEXXVCKS-NWDGAFQWSA-N 2 2 266.345 0.281 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC001251705580 807695483 /nfs/dbraw/zinc/69/54/83/807695483.db2.gz SFJLIEIEXXVCKS-NWDGAFQWSA-N 2 2 266.345 0.281 20 0 CCADLP CCOC[C@@H](O)C[N@H+](CCOC)C1CC[NH+](C)CC1 ZINC001252025410 807764285 /nfs/dbraw/zinc/76/42/85/807764285.db2.gz CUHVBHOOWHQYRU-AWEZNQCLSA-N 2 2 274.405 0.426 20 0 CCADLP CCOC[C@@H](O)C[N@@H+](CCOC)C1CC[NH+](C)CC1 ZINC001252025410 807764290 /nfs/dbraw/zinc/76/42/90/807764290.db2.gz CUHVBHOOWHQYRU-AWEZNQCLSA-N 2 2 274.405 0.426 20 0 CCADLP CCCC[C@@H](O)C[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001252096854 807795152 /nfs/dbraw/zinc/79/51/52/807795152.db2.gz LCTDCXFYZAHTCX-CQSZACIVSA-N 2 2 255.406 0.469 20 0 CCADLP CC[N@@H+]1CCO[C@@H]2C[NH+](C[C@H](O)COC(C)C)C[C@@H]2C1 ZINC001252676295 807936833 /nfs/dbraw/zinc/93/68/33/807936833.db2.gz FDANYNGBTUAMFG-SOUVJXGZSA-N 2 2 286.416 0.425 20 0 CCADLP CC[N@H+]1CCO[C@@H]2C[NH+](C[C@H](O)COC(C)C)C[C@@H]2C1 ZINC001252676295 807936837 /nfs/dbraw/zinc/93/68/37/807936837.db2.gz FDANYNGBTUAMFG-SOUVJXGZSA-N 2 2 286.416 0.425 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@H+](C[C@H](O)COC(C)C)C[C@@H]2C1 ZINC001252676295 807936842 /nfs/dbraw/zinc/93/68/42/807936842.db2.gz FDANYNGBTUAMFG-SOUVJXGZSA-N 2 2 286.416 0.425 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@@H+](C[C@H](O)COC(C)C)C[C@@H]2C1 ZINC001252676295 807936848 /nfs/dbraw/zinc/93/68/48/807936848.db2.gz FDANYNGBTUAMFG-SOUVJXGZSA-N 2 2 286.416 0.425 20 0 CCADLP COC[C@@H](O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001252820014 807969401 /nfs/dbraw/zinc/96/94/01/807969401.db2.gz FVMHENGKGNFMNR-QWHCGFSZSA-N 2 2 266.341 0.850 20 0 CCADLP COC[C@@H](O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001252820014 807969406 /nfs/dbraw/zinc/96/94/06/807969406.db2.gz FVMHENGKGNFMNR-QWHCGFSZSA-N 2 2 266.341 0.850 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]Cc1cccc(C(N)=O)c1 ZINC001253208467 808031031 /nfs/dbraw/zinc/03/10/31/808031031.db2.gz RFCMGSMBGFGETB-CQSZACIVSA-N 2 2 279.384 0.578 20 0 CCADLP COC(=O)[C@H]1[C@@H]2C[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C[C@@H]21 ZINC001253394844 808055907 /nfs/dbraw/zinc/05/59/07/808055907.db2.gz SKMHHXKGZUWJBS-WYUUTHIRSA-N 2 2 270.373 0.086 20 0 CCADLP COC(=O)[C@H]1[C@@H]2C[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C[C@@H]21 ZINC001253394844 808055915 /nfs/dbraw/zinc/05/59/15/808055915.db2.gz SKMHHXKGZUWJBS-WYUUTHIRSA-N 2 2 270.373 0.086 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]Cc1ccc2n[nH]nc2c1 ZINC001253407242 808061788 /nfs/dbraw/zinc/06/17/88/808061788.db2.gz IOTGAFBYRBUPTI-NSHDSACASA-N 2 2 277.372 0.797 20 0 CCADLP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H](O)C(=O)OC(C)(C)C)C2)C1 ZINC001253691587 808118177 /nfs/dbraw/zinc/11/81/77/808118177.db2.gz RHZGKZUUEINYBW-SWLSCSKDSA-N 2 2 284.400 0.717 20 0 CCADLP C[N@H+]1CC[C@@]2(CC[NH+](C[C@H](O)C(=O)OC(C)(C)C)C2)C1 ZINC001253691587 808118181 /nfs/dbraw/zinc/11/81/81/808118181.db2.gz RHZGKZUUEINYBW-SWLSCSKDSA-N 2 2 284.400 0.717 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@H+](C[C@H](O)C(=O)OC(C)(C)C)C2)C1 ZINC001253691587 808118184 /nfs/dbraw/zinc/11/81/84/808118184.db2.gz RHZGKZUUEINYBW-SWLSCSKDSA-N 2 2 284.400 0.717 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@H](O)C(=O)OC(C)(C)C)C2)C1 ZINC001253691587 808118186 /nfs/dbraw/zinc/11/81/86/808118186.db2.gz RHZGKZUUEINYBW-SWLSCSKDSA-N 2 2 284.400 0.717 20 0 CCADLP CCOC(=O)C[NH+]1CCC(n2cnc(C[NH3+])c2)CC1 ZINC001254390096 808229269 /nfs/dbraw/zinc/22/92/69/808229269.db2.gz IXYOXUDPEUBSMA-UHFFFAOYSA-N 2 2 266.345 0.542 20 0 CCADLP CCOC(=O)CN1CCC([NH2+]CCc2[nH+]ccn2C)CC1 ZINC001254401749 808233606 /nfs/dbraw/zinc/23/36/06/808233606.db2.gz CFAMBIUYVQWBCW-UHFFFAOYSA-N 2 2 294.399 0.580 20 0 CCADLP COC(=O)[C@H]1C[N@@H+]([C@@H]2CCC[NH+](C)CC2)CCN1C ZINC001254529784 808255757 /nfs/dbraw/zinc/25/57/57/808255757.db2.gz QMBLFNKFWZXQLP-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP COC(=O)[C@H]1C[N@H+]([C@@H]2CCC[NH+](C)CC2)CCN1C ZINC001254529784 808255762 /nfs/dbraw/zinc/25/57/62/808255762.db2.gz QMBLFNKFWZXQLP-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP COC(=O)[C@H]1C[NH+]([C@@H]2CCC[N@H+](C)CC2)CCN1C ZINC001254529784 808255768 /nfs/dbraw/zinc/25/57/68/808255768.db2.gz QMBLFNKFWZXQLP-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP COC(=O)[C@H]1C[NH+]([C@@H]2CCC[N@@H+](C)CC2)CCN1C ZINC001254529784 808255771 /nfs/dbraw/zinc/25/57/71/808255771.db2.gz QMBLFNKFWZXQLP-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP C[N@@H+]1CCC[C@H]([NH+]2CCN(c3ncncn3)CC2)CC1 ZINC001254531378 808256381 /nfs/dbraw/zinc/25/63/81/808256381.db2.gz KESNLLVJTJPLRE-ZDUSSCGKSA-N 2 2 276.388 0.478 20 0 CCADLP C[N@H+]1CCC[C@H]([NH+]2CCN(c3ncncn3)CC2)CC1 ZINC001254531378 808256387 /nfs/dbraw/zinc/25/63/87/808256387.db2.gz KESNLLVJTJPLRE-ZDUSSCGKSA-N 2 2 276.388 0.478 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2CCC[N@H+](C)C2)no1 ZINC001254721236 808275474 /nfs/dbraw/zinc/27/54/74/808275474.db2.gz NRHBPFZMEQAAPM-SNVBAGLBSA-N 2 2 266.345 0.560 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](C)C2)no1 ZINC001254721236 808275479 /nfs/dbraw/zinc/27/54/79/808275479.db2.gz NRHBPFZMEQAAPM-SNVBAGLBSA-N 2 2 266.345 0.560 20 0 CCADLP CN1C[C@@H]([NH2+][C@H]2CC3CC[NH+](CC3)C2)CCC1=O ZINC001254836676 808283470 /nfs/dbraw/zinc/28/34/70/808283470.db2.gz OECBTEUEVGGOQM-STQMWFEESA-N 2 2 251.374 0.681 20 0 CCADLP CN1C(=O)CC[C@@H]1C[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254840016 808285886 /nfs/dbraw/zinc/28/58/86/808285886.db2.gz AAUNNCPYVUGLPS-QWHCGFSZSA-N 2 2 251.374 0.681 20 0 CCADLP CC(C)(C)OC(=O)N1C[C@H]([NH3+])[C@@H]([NH2+]C2CCOCC2)C1 ZINC001255037122 808310275 /nfs/dbraw/zinc/31/02/75/808310275.db2.gz RVMJPZQXCXIYIM-RYUDHWBXSA-N 2 2 285.388 0.702 20 0 CCADLP C[N@@H+]1CC[C@H](N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC001255437045 808368139 /nfs/dbraw/zinc/36/81/39/808368139.db2.gz XHRXHZFYYCOCKD-HNNXBMFYSA-N 2 2 260.385 0.903 20 0 CCADLP C[N@H+]1CC[C@H](N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC001255437045 808368149 /nfs/dbraw/zinc/36/81/49/808368149.db2.gz XHRXHZFYYCOCKD-HNNXBMFYSA-N 2 2 260.385 0.903 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH3+] ZINC001255566638 808402548 /nfs/dbraw/zinc/40/25/48/808402548.db2.gz LUABVMAZSDYFNR-UTUOFQBUSA-N 2 2 287.404 0.948 20 0 CCADLP CCOC(=O)N1CC[C@@H]([NH2+]CCc2[nH+]ccn2C)C1 ZINC001256026480 808452466 /nfs/dbraw/zinc/45/24/66/808452466.db2.gz DREHCRCVHFKAJS-LLVKDONJSA-N 2 2 266.345 0.783 20 0 CCADLP C[N@H+](CCN1CCOCC1)C1CC[NH+](C2CC2)CC1 ZINC001256073768 808467997 /nfs/dbraw/zinc/46/79/97/808467997.db2.gz YQPMLWXEKCDLIP-UHFFFAOYSA-N 2 2 267.417 0.877 20 0 CCADLP C[N@@H+](CCN1CCOCC1)C1CC[NH+](C2CC2)CC1 ZINC001256073768 808468000 /nfs/dbraw/zinc/46/80/00/808468000.db2.gz YQPMLWXEKCDLIP-UHFFFAOYSA-N 2 2 267.417 0.877 20 0 CCADLP CC(C)NC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2C2CC[NH+](C)CC2)O1 ZINC001256207315 808479149 /nfs/dbraw/zinc/47/91/49/808479149.db2.gz HQDLJAVJHKVQMK-KFWWJZLASA-N 2 2 295.427 0.837 20 0 CCADLP CC(C)NC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2C2CC[NH+](C)CC2)O1 ZINC001256207315 808479152 /nfs/dbraw/zinc/47/91/52/808479152.db2.gz HQDLJAVJHKVQMK-KFWWJZLASA-N 2 2 295.427 0.837 20 0 CCADLP CC[N@H+](CCn1cc[nH+]c1)[C@H](C)CC(=O)N1CCOCC1 ZINC001256346271 808511026 /nfs/dbraw/zinc/51/10/26/808511026.db2.gz DKCJPYWZTAWWGY-CQSZACIVSA-N 2 2 294.399 0.842 20 0 CCADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H](C)CC(=O)N1CCOCC1 ZINC001256346271 808511031 /nfs/dbraw/zinc/51/10/31/808511031.db2.gz DKCJPYWZTAWWGY-CQSZACIVSA-N 2 2 294.399 0.842 20 0 CCADLP Cc1[nH+]cn(C2CCS(=O)(=O)CC2)c1CC[NH3+] ZINC001256376295 808515823 /nfs/dbraw/zinc/51/58/23/808515823.db2.gz MESCTFYTMIIPJZ-UHFFFAOYSA-N 2 2 257.359 0.442 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)C(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC001256529132 808531723 /nfs/dbraw/zinc/53/17/23/808531723.db2.gz QVGYWFMWCMNCKB-SNPRPXQTSA-N 2 2 291.395 0.475 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)C(N)=O)CC[N@H+]1Cc1ccccc1 ZINC001256529132 808531731 /nfs/dbraw/zinc/53/17/31/808531731.db2.gz QVGYWFMWCMNCKB-SNPRPXQTSA-N 2 2 291.395 0.475 20 0 CCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1CC[NH3+] ZINC000723905007 808532813 /nfs/dbraw/zinc/53/28/13/808532813.db2.gz VHWSRTXFEURPMW-VXGBXAGGSA-N 2 2 250.346 0.717 20 0 CCADLP CC[C@@](N)(CO)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001256853409 808564078 /nfs/dbraw/zinc/56/40/78/808564078.db2.gz BSXSYMRGJUXZRT-AWEZNQCLSA-N 2 2 264.373 0.697 20 0 CCADLP CCOC(=O)CC[C@H](C)NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001258477621 808686685 /nfs/dbraw/zinc/68/66/85/808686685.db2.gz KIGJSWQVMZTYKX-NSHDSACASA-N 2 2 270.377 0.490 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001076107502 815244019 /nfs/dbraw/zinc/24/40/19/815244019.db2.gz ZGAJODWFFMDOPE-HZSPNIEDSA-N 2 2 292.383 0.187 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001076107502 815244020 /nfs/dbraw/zinc/24/40/20/815244020.db2.gz ZGAJODWFFMDOPE-HZSPNIEDSA-N 2 2 292.383 0.187 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC001076106689 815244053 /nfs/dbraw/zinc/24/40/53/815244053.db2.gz BNUOLJXPWMIGMX-QWHCGFSZSA-N 2 2 280.347 0.775 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001076106689 815244057 /nfs/dbraw/zinc/24/40/57/815244057.db2.gz BNUOLJXPWMIGMX-QWHCGFSZSA-N 2 2 280.347 0.775 20 0 CCADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001261782271 809087904 /nfs/dbraw/zinc/08/79/04/809087904.db2.gz BQBZKZDKSPUNAX-UTUOFQBUSA-N 2 2 260.341 0.123 20 0 CCADLP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001262008010 809152282 /nfs/dbraw/zinc/15/22/82/809152282.db2.gz YQDUAAIWPZTEMT-NEPJUHHUSA-N 2 2 264.329 0.163 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCC(CO)(CO)CC1 ZINC001262020725 809158366 /nfs/dbraw/zinc/15/83/66/809158366.db2.gz JXOCOBFITPIWKC-UHFFFAOYSA-N 2 2 253.346 0.029 20 0 CCADLP [NH3+][C@@H](CC(F)F)C[NH+]1CCC2(CNC(=O)C2)CC1 ZINC001262162765 809212798 /nfs/dbraw/zinc/21/27/98/809212798.db2.gz XQDRTEGBPNGQHA-VIFPVBQESA-N 2 2 261.316 0.571 20 0 CCADLP COC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076295237 815273938 /nfs/dbraw/zinc/27/39/38/815273938.db2.gz GOUZMTSCQLTRLR-MBNYWOFBSA-N 2 2 292.383 0.520 20 0 CCADLP COC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076295237 815273940 /nfs/dbraw/zinc/27/39/40/815273940.db2.gz GOUZMTSCQLTRLR-MBNYWOFBSA-N 2 2 292.383 0.520 20 0 CCADLP CN(C)C(=O)OCC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001262301223 809269769 /nfs/dbraw/zinc/26/97/69/809269769.db2.gz FRFMZBIJMNRSOE-OKILXGFUSA-N 2 2 269.389 0.958 20 0 CCADLP CN(C)C(=O)OCC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001262301223 809269772 /nfs/dbraw/zinc/26/97/72/809269772.db2.gz FRFMZBIJMNRSOE-OKILXGFUSA-N 2 2 269.389 0.958 20 0 CCADLP CN(C)C(=O)OCC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC001262301223 809269777 /nfs/dbraw/zinc/26/97/77/809269777.db2.gz FRFMZBIJMNRSOE-OKILXGFUSA-N 2 2 269.389 0.958 20 0 CCADLP CN(C)C(=O)OCC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC001262301223 809269783 /nfs/dbraw/zinc/26/97/83/809269783.db2.gz FRFMZBIJMNRSOE-OKILXGFUSA-N 2 2 269.389 0.958 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001076343774 815279587 /nfs/dbraw/zinc/27/95/87/815279587.db2.gz OUXMLKWOXVAGAW-MBNYWOFBSA-N 2 2 292.383 0.113 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001076343774 815279592 /nfs/dbraw/zinc/27/95/92/815279592.db2.gz OUXMLKWOXVAGAW-MBNYWOFBSA-N 2 2 292.383 0.113 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001076343774 815279594 /nfs/dbraw/zinc/27/95/94/815279594.db2.gz OUXMLKWOXVAGAW-MBNYWOFBSA-N 2 2 292.383 0.113 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)[C@H]1C[NH2+]CCC12CCC2 ZINC001263100717 809443199 /nfs/dbraw/zinc/44/31/99/809443199.db2.gz VZNGDZPCMSEXFL-LLVKDONJSA-N 2 2 262.357 0.848 20 0 CCADLP C[NH+]1CC(C[NH2+]C[C@H](O)COCc2ccco2)C1 ZINC000379421366 809512992 /nfs/dbraw/zinc/51/29/92/809512992.db2.gz AMTVFJUGZNAOEU-LBPRGKRZSA-N 2 2 254.330 0.308 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1C[C@@H]([NH2+]CCF)C1 ZINC001263851559 809588102 /nfs/dbraw/zinc/58/81/02/809588102.db2.gz OFHBDNQNKXCHQV-PHIMTYICSA-N 2 2 254.309 0.337 20 0 CCADLP C[N@H+](CCCNC(=O)Cn1cc[nH+]c1)C[C@@H]1CCCCO1 ZINC001265076281 809704753 /nfs/dbraw/zinc/70/47/53/809704753.db2.gz RGFCBWBMYARLPM-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP C[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)C[C@@H]1CCCCO1 ZINC001265076281 809704756 /nfs/dbraw/zinc/70/47/56/809704756.db2.gz RGFCBWBMYARLPM-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCCC[C@H]1C[NH2+]CCF ZINC001265693893 809828395 /nfs/dbraw/zinc/82/83/95/809828395.db2.gz OJSOGZRTBHEMPM-LBPRGKRZSA-N 2 2 268.336 0.823 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[N@H+](C)CCO ZINC001265937255 809899127 /nfs/dbraw/zinc/89/91/27/809899127.db2.gz YGMVORVGECFXJI-NSHDSACASA-N 2 2 268.361 0.019 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[N@@H+](C)CCO ZINC001265937255 809899133 /nfs/dbraw/zinc/89/91/33/809899133.db2.gz YGMVORVGECFXJI-NSHDSACASA-N 2 2 268.361 0.019 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[N@H+](C)CCO ZINC001265937255 809899139 /nfs/dbraw/zinc/89/91/39/809899139.db2.gz YGMVORVGECFXJI-NSHDSACASA-N 2 2 268.361 0.019 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[N@@H+](C)CCO ZINC001265937255 809899144 /nfs/dbraw/zinc/89/91/44/809899144.db2.gz YGMVORVGECFXJI-NSHDSACASA-N 2 2 268.361 0.019 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(CCO)CC[NH2+]CC1CC1 ZINC001279892101 809999177 /nfs/dbraw/zinc/99/91/77/809999177.db2.gz GDLOZHUJCRSRCF-UHFFFAOYSA-N 2 2 280.372 0.081 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CCCC[C@@H]1C[NH2+]CCCO ZINC001280443043 810020997 /nfs/dbraw/zinc/02/09/97/810020997.db2.gz SGIKRSPXPJEWEM-CQSZACIVSA-N 2 2 294.399 0.695 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CCCC[C@@H]1C[NH2+]CCCO ZINC001280443043 810021000 /nfs/dbraw/zinc/02/10/00/810021000.db2.gz SGIKRSPXPJEWEM-CQSZACIVSA-N 2 2 294.399 0.695 20 0 CCADLP Cc1ncc(C[NH3+])c(=N)n1-c1ccn2cc[nH+]c2c1 ZINC001167674201 811178622 /nfs/dbraw/zinc/17/86/22/811178622.db2.gz NOXWSKADQHYPNB-UHFFFAOYSA-N 2 2 254.297 0.767 20 0 CCADLP Cc1nnc(C[NH2+]CCN(C)C(=O)C2CC[NH+](C)CC2)o1 ZINC001267422566 811294537 /nfs/dbraw/zinc/29/45/37/811294537.db2.gz NAWXSLGNLCTYPP-UHFFFAOYSA-N 2 2 295.387 0.268 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC1C[NH+](CC2CC2)C1 ZINC001267697835 811661988 /nfs/dbraw/zinc/66/19/88/811661988.db2.gz QUTLRUSLXJIUOM-UHFFFAOYSA-N 2 2 262.357 0.719 20 0 CCADLP COCCC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001267727318 811696512 /nfs/dbraw/zinc/69/65/12/811696512.db2.gz BGVOXKSEDWXRQD-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP COCCC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001267727318 811696517 /nfs/dbraw/zinc/69/65/17/811696517.db2.gz BGVOXKSEDWXRQD-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP COCCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001267732133 811701701 /nfs/dbraw/zinc/70/17/01/811701701.db2.gz GDBDLDKZFGYCEC-LBPRGKRZSA-N 2 2 280.372 0.488 20 0 CCADLP COCCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001267732133 811701712 /nfs/dbraw/zinc/70/17/12/811701712.db2.gz GDBDLDKZFGYCEC-LBPRGKRZSA-N 2 2 280.372 0.488 20 0 CCADLP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001077259450 815469082 /nfs/dbraw/zinc/46/90/82/815469082.db2.gz RMDJHVNTBKTSBN-YNEHKIRRSA-N 2 2 292.383 0.015 20 0 CCADLP CC[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CCCO ZINC001267809607 811805551 /nfs/dbraw/zinc/80/55/51/811805551.db2.gz OMAOJCRVJHOAHH-QWHCGFSZSA-N 2 2 294.399 0.312 20 0 CCADLP C[C@H]([NH3+])[C@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1ccccc1 ZINC000925725567 812011340 /nfs/dbraw/zinc/01/13/40/812011340.db2.gz AMTNIHQIUCOEAG-AAEUAGOBSA-N 2 2 299.440 0.979 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CC1CCOCC1 ZINC001149129641 812046559 /nfs/dbraw/zinc/04/65/59/812046559.db2.gz HAKISQFXLRASPY-UHFFFAOYSA-N 2 2 280.372 0.393 20 0 CCADLP CC(C)(C)CC[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001268326717 812488868 /nfs/dbraw/zinc/48/88/68/812488868.db2.gz NGRSYMQZIHSKML-LLVKDONJSA-N 2 2 282.388 0.455 20 0 CCADLP C[NH2+]C[C@H]1CCCC[N@@H+]1C[C@H](O)COCCOC ZINC000300263444 812526161 /nfs/dbraw/zinc/52/61/61/812526161.db2.gz VBUXPWBFQSODPZ-OLZOCXBDSA-N 2 2 260.378 0.084 20 0 CCADLP C[NH2+]C[C@H]1CCCC[N@H+]1C[C@H](O)COCCOC ZINC000300263444 812526166 /nfs/dbraw/zinc/52/61/66/812526166.db2.gz VBUXPWBFQSODPZ-OLZOCXBDSA-N 2 2 260.378 0.084 20 0 CCADLP C[C@H](C[NH2+]C/C=C/Cl)NC(=O)Cn1cc[nH+]c1 ZINC001268675807 812997839 /nfs/dbraw/zinc/99/78/39/812997839.db2.gz GTKGTTRATCWCEN-VMZHVLLKSA-N 2 2 256.737 0.730 20 0 CCADLP C[C@H](O)C[NH2+]CCCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001268804193 813094750 /nfs/dbraw/zinc/09/47/50/813094750.db2.gz ZFDQBVPWQQSQOE-STQMWFEESA-N 2 2 294.399 0.264 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](CCF)C1 ZINC001269290665 813309783 /nfs/dbraw/zinc/30/97/83/813309783.db2.gz ADFJPQMDMAJTCS-GFCCVEGCSA-N 2 2 259.369 0.830 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](CCF)C1 ZINC001269290665 813309789 /nfs/dbraw/zinc/30/97/89/813309789.db2.gz ADFJPQMDMAJTCS-GFCCVEGCSA-N 2 2 259.369 0.830 20 0 CCADLP CCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@H+](CCF)C1 ZINC001269290665 813309797 /nfs/dbraw/zinc/30/97/97/813309797.db2.gz ADFJPQMDMAJTCS-GFCCVEGCSA-N 2 2 259.369 0.830 20 0 CCADLP C[C@H](O)C[NH2+]CC[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001269785469 813509521 /nfs/dbraw/zinc/50/95/21/813509521.db2.gz NNLIMQKDFGWEHU-QWHCGFSZSA-N 2 2 294.399 0.551 20 0 CCADLP COCCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC001269971657 813569927 /nfs/dbraw/zinc/56/99/27/813569927.db2.gz IVNVUVVWYKSSMO-STQMWFEESA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H]1C[C@H](C[NH2+]CCNC(=O)CCc2[nH]cc[nH+]2)CCO1 ZINC001126437157 813585024 /nfs/dbraw/zinc/58/50/24/813585024.db2.gz UDPYPWDQSQZOEB-QWHCGFSZSA-N 2 2 294.399 0.863 20 0 CCADLP COCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001270435670 813761833 /nfs/dbraw/zinc/76/18/33/813761833.db2.gz FWRBVIMRJVDHJL-CHWSQXEVSA-N 2 2 294.399 0.434 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C[NH2+]CCCO ZINC001270443519 813766026 /nfs/dbraw/zinc/76/60/26/813766026.db2.gz HXSKANZBKJDPRY-STQMWFEESA-N 2 2 294.399 0.170 20 0 CCADLP C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)c1cccn2c[nH+]cc12 ZINC001270602619 813832923 /nfs/dbraw/zinc/83/29/23/813832923.db2.gz IFIGYSHOEMBAGO-TXEJJXNPSA-N 2 2 286.335 0.489 20 0 CCADLP C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)c1cccn2c[nH+]cc12 ZINC001270602619 813832937 /nfs/dbraw/zinc/83/29/37/813832937.db2.gz IFIGYSHOEMBAGO-TXEJJXNPSA-N 2 2 286.335 0.489 20 0 CCADLP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C)C[C@H](C1)O2 ZINC001270616878 813839754 /nfs/dbraw/zinc/83/97/54/813839754.db2.gz AKZSBNQQYSNZFS-XQQFMLRXSA-N 2 2 267.373 0.012 20 0 CCADLP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@H](C1)O2 ZINC001270616878 813839764 /nfs/dbraw/zinc/83/97/64/813839764.db2.gz AKZSBNQQYSNZFS-XQQFMLRXSA-N 2 2 267.373 0.012 20 0 CCADLP C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C[C@@H](C1)O2 ZINC001270616878 813839776 /nfs/dbraw/zinc/83/97/76/813839776.db2.gz AKZSBNQQYSNZFS-XQQFMLRXSA-N 2 2 267.373 0.012 20 0 CCADLP C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@@H](C1)O2 ZINC001270616878 813839781 /nfs/dbraw/zinc/83/97/81/813839781.db2.gz AKZSBNQQYSNZFS-XQQFMLRXSA-N 2 2 267.373 0.012 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1 ZINC001087951094 814282586 /nfs/dbraw/zinc/28/25/86/814282586.db2.gz BAZSKBUTJJAUKL-OLZOCXBDSA-N 2 2 292.383 0.115 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001087951094 814282595 /nfs/dbraw/zinc/28/25/95/814282595.db2.gz BAZSKBUTJJAUKL-OLZOCXBDSA-N 2 2 292.383 0.115 20 0 CCADLP CC(C)[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001271336113 814383994 /nfs/dbraw/zinc/38/39/94/814383994.db2.gz WIAYQSLHMHWERE-LBPRGKRZSA-N 2 2 269.389 0.042 20 0 CCADLP CC(C)[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001271336113 814384002 /nfs/dbraw/zinc/38/40/02/814384002.db2.gz WIAYQSLHMHWERE-LBPRGKRZSA-N 2 2 269.389 0.042 20 0 CCADLP CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCO)c1c[nH+]c[nH]1 ZINC001029554113 814420888 /nfs/dbraw/zinc/42/08/88/814420888.db2.gz NINJTQUFPRDJET-TXEJJXNPSA-N 2 2 292.383 0.355 20 0 CCADLP CC(C)(C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO)c1c[nH+]c[nH]1 ZINC001029554113 814420890 /nfs/dbraw/zinc/42/08/90/814420890.db2.gz NINJTQUFPRDJET-TXEJJXNPSA-N 2 2 292.383 0.355 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC2(CC[NH+]2C)C1 ZINC001271931126 814634444 /nfs/dbraw/zinc/63/44/44/814634444.db2.gz HYJXSOOJAYMCGL-GFCCVEGCSA-N 2 2 251.374 0.777 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC2(CC[NH+]2C)C1 ZINC001271931126 814634447 /nfs/dbraw/zinc/63/44/47/814634447.db2.gz HYJXSOOJAYMCGL-GFCCVEGCSA-N 2 2 251.374 0.777 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)N1CC2(CC[N@@H+]2C)C1 ZINC001271931126 814634450 /nfs/dbraw/zinc/63/44/50/814634450.db2.gz HYJXSOOJAYMCGL-GFCCVEGCSA-N 2 2 251.374 0.777 20 0 CCADLP C[N@@H+]1CCO[C@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001271944720 814640030 /nfs/dbraw/zinc/64/00/30/814640030.db2.gz GXAYDJRJYGMYKQ-KBPBESRZSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@H+]1CCO[C@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001271944720 814640035 /nfs/dbraw/zinc/64/00/35/814640035.db2.gz GXAYDJRJYGMYKQ-KBPBESRZSA-N 2 2 281.400 0.404 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001030433095 816037422 /nfs/dbraw/zinc/03/74/22/816037422.db2.gz VFPSEYXSZOSQGY-ZIAGYGMSSA-N 2 2 297.443 0.800 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001030433095 816037428 /nfs/dbraw/zinc/03/74/28/816037428.db2.gz VFPSEYXSZOSQGY-ZIAGYGMSSA-N 2 2 297.443 0.800 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001030441593 816040468 /nfs/dbraw/zinc/04/04/68/816040468.db2.gz BTXZQJPSCCBHTK-GXTWGEPZSA-N 2 2 283.416 0.431 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001030441593 816040475 /nfs/dbraw/zinc/04/04/75/816040475.db2.gz BTXZQJPSCCBHTK-GXTWGEPZSA-N 2 2 283.416 0.431 20 0 CCADLP O=C(NC1C[NH+](CCCO)C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001030520687 816083843 /nfs/dbraw/zinc/08/38/43/816083843.db2.gz ZTAMHPISCUCOPC-KBPBESRZSA-N 2 2 281.400 0.186 20 0 CCADLP O=C(NC1C[NH+](CCCO)C1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001030520687 816083846 /nfs/dbraw/zinc/08/38/46/816083846.db2.gz ZTAMHPISCUCOPC-KBPBESRZSA-N 2 2 281.400 0.186 20 0 CCADLP CC(C)C[NH+]1CC(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001030545577 816100895 /nfs/dbraw/zinc/10/08/95/816100895.db2.gz XFPDRXKLBZFKHM-GFCCVEGCSA-N 2 2 276.384 0.902 20 0 CCADLP Cc1c(C(=O)NC2C[NH+](C[C@H](C)O)C2)ccc2c[nH+]cn21 ZINC001030585977 816127478 /nfs/dbraw/zinc/12/74/78/816127478.db2.gz BPNOWXJAVAMCCX-JTQLQIEISA-N 2 2 288.351 0.438 20 0 CCADLP CC[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001030594786 816132982 /nfs/dbraw/zinc/13/29/82/816132982.db2.gz PULQWHXUQAGGRQ-CYBMUJFWSA-N 2 2 253.390 0.927 20 0 CCADLP CC[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001030594786 816132985 /nfs/dbraw/zinc/13/29/85/816132985.db2.gz PULQWHXUQAGGRQ-CYBMUJFWSA-N 2 2 253.390 0.927 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](C[C@@H](C)O)[C@@H]1C ZINC001089006274 816210773 /nfs/dbraw/zinc/21/07/73/816210773.db2.gz WFZPCFWZFCNVFQ-JLLWLGSASA-N 2 2 280.372 0.220 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](C[C@@H](C)O)[C@@H]1C ZINC001089006274 816210776 /nfs/dbraw/zinc/21/07/76/816210776.db2.gz WFZPCFWZFCNVFQ-JLLWLGSASA-N 2 2 280.372 0.220 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001030682354 816214504 /nfs/dbraw/zinc/21/45/04/816214504.db2.gz RWPZFHPDPJOOOJ-NSHDSACASA-N 2 2 288.351 0.783 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC1C[NH+](C[C@H]2CCOC2)C1 ZINC001030683692 816216175 /nfs/dbraw/zinc/21/61/75/816216175.db2.gz UQIQTYFZFRZMLJ-GFCCVEGCSA-N 2 2 278.356 0.028 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001030846137 816340231 /nfs/dbraw/zinc/34/02/31/816340231.db2.gz ZTYKAISEZIIHIQ-XQQFMLRXSA-N 2 2 283.416 0.552 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001030846137 816340239 /nfs/dbraw/zinc/34/02/39/816340239.db2.gz ZTYKAISEZIIHIQ-XQQFMLRXSA-N 2 2 283.416 0.552 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001030891382 816400136 /nfs/dbraw/zinc/40/01/36/816400136.db2.gz AEIAHYWVQFJWHG-NSHDSACASA-N 2 2 269.389 0.164 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001030893046 816402930 /nfs/dbraw/zinc/40/29/30/816402930.db2.gz QKQAYFBIQYYZBA-LLVKDONJSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H]1CCC[N@@H+]1CC(=O)NC1C[NH+](C[C@H]2CCCCO2)C1 ZINC001030956199 816498661 /nfs/dbraw/zinc/49/86/61/816498661.db2.gz VCZJOSFCRFTCNN-UKRRQHHQSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@@H]1CCC[N@H+]1CC(=O)NC1C[NH+](C[C@H]2CCCCO2)C1 ZINC001030956199 816498667 /nfs/dbraw/zinc/49/86/67/816498667.db2.gz VCZJOSFCRFTCNN-UKRRQHHQSA-N 2 2 295.427 0.840 20 0 CCADLP C[N@@H+]1CC[C@@H](CC(=O)NC2C[NH+](CCOC3CCC3)C2)C1 ZINC001031259817 816910564 /nfs/dbraw/zinc/91/05/64/816910564.db2.gz GRLUPIFMUPMLMA-ZDUSSCGKSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CC[C@@H](CC(=O)NC2C[NH+](CCOC3CCC3)C2)C1 ZINC001031259817 816910569 /nfs/dbraw/zinc/91/05/69/816910569.db2.gz GRLUPIFMUPMLMA-ZDUSSCGKSA-N 2 2 295.427 0.698 20 0 CCADLP O=C(C[NH+]1CCCC1)NC1C[NH+](C[C@H]2CCCCO2)C1 ZINC001031390027 817024199 /nfs/dbraw/zinc/02/41/99/817024199.db2.gz GQZHMUJDXZTXBA-CQSZACIVSA-N 2 2 281.400 0.452 20 0 CCADLP CC[C@H](C)C[NH+]1CC(NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001031413886 817039339 /nfs/dbraw/zinc/03/93/39/817039339.db2.gz CFHBMSSNOHRCOT-GXTWGEPZSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@H](C)C[NH+]1CC(NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001031413886 817039347 /nfs/dbraw/zinc/03/93/47/817039347.db2.gz CFHBMSSNOHRCOT-GXTWGEPZSA-N 2 2 283.416 0.554 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NC2C[NH+](CC(C)C)C2)C1 ZINC001031414644 817041413 /nfs/dbraw/zinc/04/14/13/817041413.db2.gz LILRAOSLFNDGLR-ZDUSSCGKSA-N 2 2 269.389 0.164 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NC2C[NH+](CC(C)C)C2)C1 ZINC001031414644 817041422 /nfs/dbraw/zinc/04/14/22/817041422.db2.gz LILRAOSLFNDGLR-ZDUSSCGKSA-N 2 2 269.389 0.164 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+]([C@H](C)COC)C1 ZINC001031439888 817056434 /nfs/dbraw/zinc/05/64/34/817056434.db2.gz KTWZZYFWPNNTRD-OCCSQVGLSA-N 2 2 283.416 0.696 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+]([C@H](C)COC)C1 ZINC001031439888 817056442 /nfs/dbraw/zinc/05/64/42/817056442.db2.gz KTWZZYFWPNNTRD-OCCSQVGLSA-N 2 2 283.416 0.696 20 0 CCADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@H]3CCC[N@H+]3C)C2)o1 ZINC001031585290 817165113 /nfs/dbraw/zinc/16/51/13/817165113.db2.gz VPBHARFBFXKKJS-CQSZACIVSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)o1 ZINC001031585290 817165114 /nfs/dbraw/zinc/16/51/14/817165114.db2.gz VPBHARFBFXKKJS-CQSZACIVSA-N 2 2 292.383 0.625 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000353673026 817420981 /nfs/dbraw/zinc/42/09/81/817420981.db2.gz OLQGVUDGFOCGCG-WCQYABFASA-N 2 2 250.346 0.443 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000353673026 817420988 /nfs/dbraw/zinc/42/09/88/817420988.db2.gz OLQGVUDGFOCGCG-WCQYABFASA-N 2 2 250.346 0.443 20 0 CCADLP Cc1noc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001127659776 817424996 /nfs/dbraw/zinc/42/49/96/817424996.db2.gz KLHNFMBHEFGSBG-HOSYDEDBSA-N 2 2 295.387 0.485 20 0 CCADLP Cc1noc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001127659776 817425000 /nfs/dbraw/zinc/42/50/00/817425000.db2.gz KLHNFMBHEFGSBG-HOSYDEDBSA-N 2 2 295.387 0.485 20 0 CCADLP Cc1nc(NC/C=C/CNC(=O)C[NH+]2CCCC2)cc[nH+]1 ZINC001107203687 817807910 /nfs/dbraw/zinc/80/79/10/817807910.db2.gz ZGZAJIGSMJMUBG-NSCUHMNNSA-N 2 2 289.383 0.965 20 0 CCADLP CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001078736299 818038490 /nfs/dbraw/zinc/03/84/90/818038490.db2.gz HWIWZWRSBPAMDJ-NWDGAFQWSA-N 2 2 262.357 0.989 20 0 CCADLP CN1CC2(C[NH+](CCC3CC[NH+](C)CC3)C2)OCC1=O ZINC001273037169 818510202 /nfs/dbraw/zinc/51/02/02/818510202.db2.gz VFXLHVRUOMOODT-UHFFFAOYSA-N 2 2 281.400 0.261 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2nccc3c2NC(=O)C3)CC1 ZINC001168734858 818530723 /nfs/dbraw/zinc/53/07/23/818530723.db2.gz CJODTEYDWUIZRF-UHFFFAOYSA-N 2 2 274.328 0.170 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cccn3ccnc23)CC1 ZINC001168735481 818536620 /nfs/dbraw/zinc/53/66/20/818536620.db2.gz AFUJNTZLJQLGIL-UHFFFAOYSA-N 2 2 258.329 0.928 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(=S)[nH]n2)CC1 ZINC001168736858 818553534 /nfs/dbraw/zinc/55/35/34/818553534.db2.gz QHUBONVSIXTVIQ-UHFFFAOYSA-N 2 2 252.347 0.359 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cccn3c(=O)ccnc23)CC1 ZINC001168740660 818607513 /nfs/dbraw/zinc/60/75/13/818607513.db2.gz MEVFLIUSDSWDMV-UHFFFAOYSA-N 2 2 286.339 0.289 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001033621394 818855309 /nfs/dbraw/zinc/85/53/09/818855309.db2.gz VCVULWZDNLZQBQ-JQWIXIFHSA-N 2 2 280.372 0.174 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001033621394 818855312 /nfs/dbraw/zinc/85/53/12/818855312.db2.gz VCVULWZDNLZQBQ-JQWIXIFHSA-N 2 2 280.372 0.174 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC001034786758 819329656 /nfs/dbraw/zinc/32/96/56/819329656.db2.gz SRQMWCXRLXJXCY-HAQNSBGRSA-N 2 2 280.372 0.270 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC2(CC[N@@H+](CCO)C2)CC1 ZINC001035259618 819427169 /nfs/dbraw/zinc/42/71/69/819427169.db2.gz QJWSEFDCGIOGQM-UHFFFAOYSA-N 2 2 292.383 0.190 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC2(CC[N@H+](CCO)C2)CC1 ZINC001035259618 819427173 /nfs/dbraw/zinc/42/71/73/819427173.db2.gz QJWSEFDCGIOGQM-UHFFFAOYSA-N 2 2 292.383 0.190 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC2(C[NH+](CCCO)C2)CC1 ZINC001035803485 819630475 /nfs/dbraw/zinc/63/04/75/819630475.db2.gz DUZVJAPRHFVAOJ-UHFFFAOYSA-N 2 2 292.383 0.259 20 0 CCADLP C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@H]1[NH2+]CCO ZINC001036115211 819690093 /nfs/dbraw/zinc/69/00/93/819690093.db2.gz LGQNBGZNXRFSJO-QWHCGFSZSA-N 2 2 294.399 0.172 20 0 CCADLP CC(C)(CNC(=O)[C@@H]1C[NH2+]CC1(C)C)[NH+]1CCOCC1 ZINC000711320507 820004494 /nfs/dbraw/zinc/00/44/94/820004494.db2.gz ZOQXLKDCRDTPEX-LBPRGKRZSA-N 2 2 283.416 0.459 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CF)C1 ZINC000711456099 820033628 /nfs/dbraw/zinc/03/36/28/820033628.db2.gz ZVUJAFHSLHOUIX-QWHCGFSZSA-N 2 2 262.369 0.607 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CF)C1 ZINC000711456099 820033635 /nfs/dbraw/zinc/03/36/35/820033635.db2.gz ZVUJAFHSLHOUIX-QWHCGFSZSA-N 2 2 262.369 0.607 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](CF)C1 ZINC000711456099 820033644 /nfs/dbraw/zinc/03/36/44/820033644.db2.gz ZVUJAFHSLHOUIX-QWHCGFSZSA-N 2 2 262.369 0.607 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](CF)C1 ZINC000711456099 820033653 /nfs/dbraw/zinc/03/36/53/820033653.db2.gz ZVUJAFHSLHOUIX-QWHCGFSZSA-N 2 2 262.369 0.607 20 0 CCADLP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000382919333 820247256 /nfs/dbraw/zinc/24/72/56/820247256.db2.gz 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O=C(NCC[NH2+]CC1CCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130485067 837807841 /nfs/dbraw/zinc/80/78/41/837807841.db2.gz ZSWSZEDGKNCLGH-CYBMUJFWSA-N 2 2 276.384 0.951 20 0 CCADLP CCOCCC[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130484029 837808189 /nfs/dbraw/zinc/80/81/89/837808189.db2.gz CKVHPFMTADQFEL-CYBMUJFWSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@]1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001183584251 844047061 /nfs/dbraw/zinc/04/70/61/844047061.db2.gz LBDMUWQRBDSMGE-UMVBOHGHSA-N 2 2 294.399 0.338 20 0 CCADLP CCC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001108367539 835991499 /nfs/dbraw/zinc/99/14/99/835991499.db2.gz KEIUEUWRACCBCS-OAHLLOKOSA-N 2 2 294.399 0.878 20 0 CCADLP CCC[N@H+]1CCO[C@](C)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001108367539 835991503 /nfs/dbraw/zinc/99/15/03/835991503.db2.gz KEIUEUWRACCBCS-OAHLLOKOSA-N 2 2 294.399 0.878 20 0 CCADLP COc1ccc2[nH+]c(C)cc(-n3nnnc3C[NH3+])c2c1 ZINC001168923747 836056322 /nfs/dbraw/zinc/05/63/22/836056322.db2.gz FCALXPAHRNPREN-UHFFFAOYSA-N 2 2 270.296 0.986 20 0 CCADLP CCCC[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001108439928 836110363 /nfs/dbraw/zinc/11/03/63/836110363.db2.gz YTBKRNYQTWGANQ-HNNXBMFYSA-N 2 2 294.399 0.890 20 0 CCADLP CCCC[N@H+]1CCO[C@@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001108439928 836110367 /nfs/dbraw/zinc/11/03/67/836110367.db2.gz YTBKRNYQTWGANQ-HNNXBMFYSA-N 2 2 294.399 0.890 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2nccnc2n1 ZINC001169067382 836124455 /nfs/dbraw/zinc/12/44/55/836124455.db2.gz RIKOWTIWGFNIRG-SECBINFHSA-N 2 2 270.296 0.073 20 0 CCADLP CCCNc1cc(C)nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169067765 836124466 /nfs/dbraw/zinc/12/44/66/836124466.db2.gz XSXSZJYLDGTYLE-LLVKDONJSA-N 2 2 290.371 0.655 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nncc2cnccc21 ZINC001169072501 836125161 /nfs/dbraw/zinc/12/51/61/836125161.db2.gz UDSUMOVRAORRET-SNVBAGLBSA-N 2 2 270.296 0.073 20 0 CCADLP CN(C)c1cc(Cl)nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1 ZINC001169072761 836125635 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COC(=O)[C@@H]1C[C@@H](Nc2ccc(C3([NH3+])CC3)cc2)C[NH2+]1 ZINC001169132529 836148771 /nfs/dbraw/zinc/14/87/71/836148771.db2.gz PILVYAAQPDXJCL-OLZOCXBDSA-N 2 2 275.352 0.950 20 0 CCADLP CC[NH+]1CCC([NH2+]CCN2CCC[C@@H](O)C2)CC1 ZINC001169233558 836166767 /nfs/dbraw/zinc/16/67/67/836166767.db2.gz UDDAFJPZZSOEFK-CQSZACIVSA-N 2 2 255.406 0.517 20 0 CCADLP Cn1cc(CC[NH2+]CCCNC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC001169205244 836167892 /nfs/dbraw/zinc/16/78/92/836167892.db2.gz VVKMMCSQYSCISJ-UHFFFAOYSA-N 2 2 290.371 0.024 20 0 CCADLP CC(=O)N1CC[C@H]([NH+]2CCC([NH+]3CCC3)CC2)C1 ZINC001169564909 836355408 /nfs/dbraw/zinc/35/54/08/836355408.db2.gz IFFLCAGKYXWIDQ-AWEZNQCLSA-N 2 2 251.374 0.777 20 0 CCADLP C[NH+](C)C1(C(=O)NCC[NH2+]Cc2ccon2)CCC1 ZINC001129352073 836492856 /nfs/dbraw/zinc/49/28/56/836492856.db2.gz UWXHFILDCHHSCZ-UHFFFAOYSA-N 2 2 266.345 0.365 20 0 CCADLP Cc1nonc1C[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129352294 836495940 /nfs/dbraw/zinc/49/59/40/836495940.db2.gz YDFLOKPEUOREGK-UHFFFAOYSA-N 2 2 281.360 0.068 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO ZINC001109218607 836638484 /nfs/dbraw/zinc/63/84/84/836638484.db2.gz OOQNMWNVVZUQID-WOPDTQHZSA-N 2 2 278.356 0.056 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001109218607 836638486 /nfs/dbraw/zinc/63/84/86/836638486.db2.gz OOQNMWNVVZUQID-WOPDTQHZSA-N 2 2 278.356 0.056 20 0 CCADLP C[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO)n1cc[nH+]c1 ZINC001109773011 836725674 /nfs/dbraw/zinc/72/56/74/836725674.db2.gz BPTHJKKKUMIJIZ-CRWXNKLISA-N 2 2 292.383 0.548 20 0 CCADLP O=C(N1CC2(C1)CC(F)(F)C2)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157522044 837082477 /nfs/dbraw/zinc/08/24/77/837082477.db2.gz PGWCUJMAFYYFAT-TVQRCGJNSA-N 2 2 271.311 0.196 20 0 CCADLP COc1cc(OC)nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1 ZINC001158203553 837978982 /nfs/dbraw/zinc/97/89/82/837978982.db2.gz FEDBGJDYNXTSSY-SECBINFHSA-N 2 2 278.312 0.147 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH2+]C2(CO)CC[NH+](C)CC2)C1 ZINC001170538584 837994629 /nfs/dbraw/zinc/99/46/29/837994629.db2.gz JQQJRSRINGQYFN-NEPJUHHUSA-N 2 2 270.373 0.374 20 0 CCADLP [NH3+][C@H]1CC[N@@H+](C2CCN(c3cccc(Cl)[n+]3[O-])CC2)C1 ZINC001158258858 838007972 /nfs/dbraw/zinc/00/79/72/838007972.db2.gz KHYDGLYCWABIHI-NSHDSACASA-N 2 2 296.802 0.975 20 0 CCADLP [NH3+][C@H]1CC[N@H+](C2CCN(c3cccc(Cl)[n+]3[O-])CC2)C1 ZINC001158258858 838007981 /nfs/dbraw/zinc/00/79/81/838007981.db2.gz KHYDGLYCWABIHI-NSHDSACASA-N 2 2 296.802 0.975 20 0 CCADLP C[C@@H](Nc1ncnc2c1C[N@H+](C)CC2)[C@H]1C[NH2+]CCO1 ZINC001170572592 838151671 /nfs/dbraw/zinc/15/16/71/838151671.db2.gz QYPATYLNQDOXJK-ZWNOBZJWSA-N 2 2 277.372 0.253 20 0 CCADLP C[C@@H](Nc1ncnc2c1C[N@@H+](C)CC2)[C@H]1C[NH2+]CCO1 ZINC001170572592 838151674 /nfs/dbraw/zinc/15/16/74/838151674.db2.gz QYPATYLNQDOXJK-ZWNOBZJWSA-N 2 2 277.372 0.253 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@@H+]1CCCO ZINC001132026098 838303821 /nfs/dbraw/zinc/30/38/21/838303821.db2.gz ZIUSYWZCMGHNJH-OLZOCXBDSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@H+]1CCCO ZINC001132026098 838303824 /nfs/dbraw/zinc/30/38/24/838303824.db2.gz ZIUSYWZCMGHNJH-OLZOCXBDSA-N 2 2 294.399 0.694 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]C[C@@H]1CCCOC1 ZINC001132079830 838312561 /nfs/dbraw/zinc/31/25/61/838312561.db2.gz OPLMJENZCGXXKT-ZDUSSCGKSA-N 2 2 280.372 0.406 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]CC[C@@H]1CCCCO1 ZINC001132082716 838314878 /nfs/dbraw/zinc/31/48/78/838314878.db2.gz UPYPMNAFDZDGLC-AWEZNQCLSA-N 2 2 294.399 0.938 20 0 CCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[NH+](CC(N)=O)C1 ZINC001132153315 838326436 /nfs/dbraw/zinc/32/64/36/838326436.db2.gz PZUQRQZGZCGWFM-VXGBXAGGSA-N 2 2 298.431 0.171 20 0 CCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[NH+](CC(N)=O)C1 ZINC001132153315 838326439 /nfs/dbraw/zinc/32/64/39/838326439.db2.gz PZUQRQZGZCGWFM-VXGBXAGGSA-N 2 2 298.431 0.171 20 0 CCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(N)=O)C1 ZINC001132153315 838326445 /nfs/dbraw/zinc/32/64/45/838326445.db2.gz PZUQRQZGZCGWFM-VXGBXAGGSA-N 2 2 298.431 0.171 20 0 CCADLP CCc1noc([C@@H](C)[NH2+]CCNC(=O)CCC[NH+](C)C)n1 ZINC001133051889 838542547 /nfs/dbraw/zinc/54/25/47/838542547.db2.gz TWAGKLWVWKPYKG-LLVKDONJSA-N 2 2 297.403 0.741 20 0 CCADLP CC(C)c1noc([C@@H](C)[NH2+]CCNC(=O)CC[NH+](C)C)n1 ZINC001133294488 838592258 /nfs/dbraw/zinc/59/22/58/838592258.db2.gz KQPKSVCFJGOKIX-LLVKDONJSA-N 2 2 297.403 0.912 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1)c1ncccn1 ZINC001133845274 838743517 /nfs/dbraw/zinc/74/35/17/838743517.db2.gz AHCIBFPTWPTWHB-QWHCGFSZSA-N 2 2 291.399 0.585 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2nncs2)C1 ZINC001133845551 838745214 /nfs/dbraw/zinc/74/52/14/838745214.db2.gz IKQMUKAMIQCEHK-SNVBAGLBSA-N 2 2 283.401 0.086 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2nncs2)C1 ZINC001133845551 838745222 /nfs/dbraw/zinc/74/52/22/838745222.db2.gz IKQMUKAMIQCEHK-SNVBAGLBSA-N 2 2 283.401 0.086 20 0 CCADLP C[C@@H](O)CCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134042628 838841803 /nfs/dbraw/zinc/84/18/03/838841803.db2.gz JLTMNYNADMBIHR-JHJVBQTASA-N 2 2 294.399 0.390 20 0 CCADLP CC[C@@H](F)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134049571 838844328 /nfs/dbraw/zinc/84/43/28/838844328.db2.gz JAMRLMOWTMKRKX-IJLUTSLNSA-N 2 2 282.363 0.978 20 0 CCADLP CN(c1cc(N2CCC[C@H]2C(N)=O)[nH+]cn1)C(C)(C)C[NH3+] ZINC001159058735 838859593 /nfs/dbraw/zinc/85/95/93/838859593.db2.gz BMMKGPPIIZNQRA-JTQLQIEISA-N 2 2 292.387 0.104 20 0 CCADLP C[C@@H]1CC[C@H](C[NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)O1 ZINC001134393654 838965128 /nfs/dbraw/zinc/96/51/28/838965128.db2.gz QTTPWEOXTWUMQQ-ZYHUDNBSSA-N 2 2 266.345 0.226 20 0 CCADLP CC[C@@H](C[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1)OC ZINC001134498660 838994406 /nfs/dbraw/zinc/99/44/06/838994406.db2.gz MKLGLUCDVAYAJW-OLZOCXBDSA-N 2 2 282.388 0.965 20 0 CCADLP Cc1[nH+]cn(-c2ccc(N[C@@H]3C[NH2+]C[C@@H]3CO)nn2)c1C ZINC001170777133 839101087 /nfs/dbraw/zinc/10/10/87/839101087.db2.gz HLWRRLLKMMAFBL-VXGBXAGGSA-N 2 2 288.355 0.271 20 0 CCADLP OC[C@H]1C[NH2+]C[C@@H]1Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC001170779280 839114920 /nfs/dbraw/zinc/11/49/20/839114920.db2.gz XFNITQPQJNYXAT-OLZOCXBDSA-N 2 2 273.340 0.319 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]C[C@@H]1CCCCO1 ZINC001135079770 839155905 /nfs/dbraw/zinc/15/59/05/839155905.db2.gz CSLCTVOXLCOQIF-JSGCOSHPSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]C[C@@H]1CCCCO1 ZINC001135079770 839155910 /nfs/dbraw/zinc/15/59/10/839155910.db2.gz CSLCTVOXLCOQIF-JSGCOSHPSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@H](C[C@H](C)NC(=O)CCn1cc[nH+]c1)[NH2+]CCO ZINC001135136513 839168709 /nfs/dbraw/zinc/16/87/09/839168709.db2.gz JCJKAOATCOPKAH-NEPJUHHUSA-N 2 2 268.361 0.138 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1coc(C)n1 ZINC001135511686 839281515 /nfs/dbraw/zinc/28/15/15/839281515.db2.gz YRUTYKABVASJTI-UHFFFAOYSA-N 2 2 268.361 0.531 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CCO[C@@H]1CC1(F)F ZINC001135757397 839391555 /nfs/dbraw/zinc/39/15/55/839391555.db2.gz BGZIATXKGKGDEQ-SECBINFHSA-N 2 2 288.298 0.082 20 0 CCADLP Cc1ncsc1CC[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135757862 839392615 /nfs/dbraw/zinc/39/26/15/839392615.db2.gz SOUZFJSKSJBGAP-UHFFFAOYSA-N 2 2 293.396 0.666 20 0 CCADLP CC[C@]([NH3+])(CO)Nc1cc[nH+]c(N2CCCC2)n1 ZINC001170858249 839442836 /nfs/dbraw/zinc/44/28/36/839442836.db2.gz KNQWQMIWIIWJIR-GFCCVEGCSA-N 2 2 251.334 0.546 20 0 CCADLP CC[C@@]([NH3+])(CO)Nc1cncc(-n2cc[nH+]c2C)n1 ZINC001170858539 839444799 /nfs/dbraw/zinc/44/47/99/839444799.db2.gz ONOYTYZNFHGXJS-LBPRGKRZSA-N 2 2 262.317 0.440 20 0 CCADLP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ccc(NC)[nH+]c1 ZINC001170872823 839474456 /nfs/dbraw/zinc/47/44/56/839474456.db2.gz UXCCECZAUGEQGT-GHMZBOCLSA-N 2 2 264.329 0.686 20 0 CCADLP CCCOC[C@H](O)C[NH2+][C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001245995683 839579777 /nfs/dbraw/zinc/57/97/77/839579777.db2.gz DOOBKKYDNATLHD-MXWKQRLJSA-N 2 2 284.322 0.904 20 0 CCADLP [NH3+][C@]12CC[C@@H]1C[N@H+](C[C@@H](O)COc1ccccc1)C2 ZINC001246048458 839587678 /nfs/dbraw/zinc/58/76/78/839587678.db2.gz XHXKAFZEBUVWEB-NFAWXSAZSA-N 2 2 262.353 0.849 20 0 CCADLP [NH3+][C@]12CC[C@@H]1C[N@@H+](C[C@@H](O)COc1ccccc1)C2 ZINC001246048458 839587684 /nfs/dbraw/zinc/58/76/84/839587684.db2.gz XHXKAFZEBUVWEB-NFAWXSAZSA-N 2 2 262.353 0.849 20 0 CCADLP CCOC(=O)CN(CC[NH3+])c1ccn2cc[nH+]c2c1 ZINC001170994498 839678010 /nfs/dbraw/zinc/67/80/10/839678010.db2.gz SXGMUHROJUAOAE-UHFFFAOYSA-N 2 2 262.313 0.663 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H](N[C@H]2C[NH2+]CCC2(C)C)C[NH2+]1 ZINC001246333436 839800952 /nfs/dbraw/zinc/80/09/52/839800952.db2.gz VDTCTDLJQNKBNU-SLEUVZQESA-N 2 2 283.416 0.648 20 0 CCADLP CN(CC(=O)NCc1c[nH+]cn1C1CCC1)C(N)=[NH2+] ZINC001144143967 839954367 /nfs/dbraw/zinc/95/43/67/839954367.db2.gz WMOQYFYSGHFGOU-UHFFFAOYSA-N 2 2 264.333 0.050 20 0 CCADLP COC(C)(C)[C@H]1CCCN1C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001160583414 840027975 /nfs/dbraw/zinc/02/79/75/840027975.db2.gz XNMGRRXUKNXUSQ-VXGBXAGGSA-N 2 2 280.372 0.696 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246563543 840031592 /nfs/dbraw/zinc/03/15/92/840031592.db2.gz VHYYAHJLMYRDJC-CRWXNKLISA-N 3 2 253.390 0.445 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246563543 840031597 /nfs/dbraw/zinc/03/15/97/840031597.db2.gz VHYYAHJLMYRDJC-CRWXNKLISA-N 3 2 253.390 0.445 20 0 CCADLP CC[NH2+]C1CC(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001091106863 840051942 /nfs/dbraw/zinc/05/19/42/840051942.db2.gz WIPDVSDLJVPXTK-CPCZMJQVSA-N 2 2 276.384 0.950 20 0 CCADLP [NH3+]C[C@@]1(F)CCCC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246573364 840078897 /nfs/dbraw/zinc/07/88/97/840078897.db2.gz BZCPDGJRJLPLKC-STQMWFEESA-N 3 2 270.396 0.233 20 0 CCADLP [NH3+]C[C@@]1(F)CCCC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246573364 840078904 /nfs/dbraw/zinc/07/89/04/840078904.db2.gz BZCPDGJRJLPLKC-STQMWFEESA-N 3 2 270.396 0.233 20 0 CCADLP C1[NH2+]CC12C[C@@H]([NH+]1CCC3(CCCC[NH2+]3)CC1)CCN2 ZINC001246614380 840184604 /nfs/dbraw/zinc/18/46/04/840184604.db2.gz SNKQICNFKJUZKK-AWEZNQCLSA-N 3 2 278.444 0.689 20 0 CCADLP CC(C)OCC[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171243956 840186578 /nfs/dbraw/zinc/18/65/78/840186578.db2.gz HVRUURUNYCRUHA-UHFFFAOYSA-N 2 2 282.388 0.484 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]C/C=C\Cl ZINC001171244938 840188165 /nfs/dbraw/zinc/18/81/65/840188165.db2.gz WCNSRAKHBWAQAD-RQOWECAXSA-N 2 2 270.764 0.811 20 0 CCADLP C[C@@H](C[C@H](C)[NH2+]CCF)NC(=O)Cn1cc[nH+]c1 ZINC001146758200 840370399 /nfs/dbraw/zinc/37/03/99/840370399.db2.gz RTCBYXTWUAEACB-QWRGUYRKSA-N 2 2 256.325 0.726 20 0 CCADLP CO[C@@H](C)C[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149124557 840604980 /nfs/dbraw/zinc/60/49/80/840604980.db2.gz UQJKUPCDGOUWPZ-VIFPVBQESA-N 2 2 254.334 0.001 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]C[C@H]1CCCOC1 ZINC001147871768 840708296 /nfs/dbraw/zinc/70/82/96/840708296.db2.gz LJPMHMJVCBPALW-GFCCVEGCSA-N 2 2 280.372 0.095 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]CCNC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001147900737 840718682 /nfs/dbraw/zinc/71/86/82/840718682.db2.gz VBALNUQKKAQGEO-PWSUYJOCSA-N 2 2 295.387 0.487 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001147900737 840718688 /nfs/dbraw/zinc/71/86/88/840718688.db2.gz VBALNUQKKAQGEO-PWSUYJOCSA-N 2 2 295.387 0.487 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]C/C=C/Cl ZINC001147907899 840720542 /nfs/dbraw/zinc/72/05/42/840720542.db2.gz LMIFXMOJTGYSCU-NSCUHMNNSA-N 2 2 256.737 0.421 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)CCCC[NH+](C)C)o1 ZINC001148359722 840793583 /nfs/dbraw/zinc/79/35/83/840793583.db2.gz AEPIIPZEZNINKF-UHFFFAOYSA-N 2 2 282.388 0.921 20 0 CCADLP C[NH+](C)CCCCC(=O)NCC[NH2+]Cc1nncs1 ZINC001148365464 840794010 /nfs/dbraw/zinc/79/40/10/840794010.db2.gz QWPSIANWKLGSNF-UHFFFAOYSA-N 2 2 285.417 0.476 20 0 CCADLP C[NH+]1CCC2(CCN(CCn3cc[nH+]c3)C2=O)CC1 ZINC001273525374 844591002 /nfs/dbraw/zinc/59/10/02/844591002.db2.gz RWWKDWXZLMLBHH-UHFFFAOYSA-N 2 2 262.357 0.827 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001092049741 840987134 /nfs/dbraw/zinc/98/71/34/840987134.db2.gz JWYLCKARXBKAII-ZOWXZIJZSA-N 2 2 292.383 0.113 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001092049741 840987138 /nfs/dbraw/zinc/98/71/38/840987138.db2.gz JWYLCKARXBKAII-ZOWXZIJZSA-N 2 2 292.383 0.113 20 0 CCADLP C[C@H]([NH2+]CC[C@H]1CCCS1(=O)=O)[C@H]1CCC[NH2+]1 ZINC000714337901 841194694 /nfs/dbraw/zinc/19/46/94/841194694.db2.gz KJZAMMMARZOOEH-QJPTWQEYSA-N 2 2 260.403 0.684 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]2[C@H](CC[N@H+]2CCF)C1 ZINC001036851818 841396732 /nfs/dbraw/zinc/39/67/32/841396732.db2.gz RYVZFXSUPZQOMK-VXGBXAGGSA-N 2 2 280.347 0.845 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]2[C@H](CC[N@@H+]2CCF)C1 ZINC001036851818 841396742 /nfs/dbraw/zinc/39/67/42/841396742.db2.gz RYVZFXSUPZQOMK-VXGBXAGGSA-N 2 2 280.347 0.845 20 0 CCADLP CC[NH+](CC)C[C@@H](F)C(=O)NCCNc1cc[nH+]c(C)n1 ZINC001093908854 841482991 /nfs/dbraw/zinc/48/29/91/841482991.db2.gz ABMJACUOWISWSK-GFCCVEGCSA-N 2 2 297.378 0.993 20 0 CCADLP [NH3+]Cc1nccnc1Nc1nc(Cl)nc2c1C[NH2+]C2 ZINC001171441495 841618441 /nfs/dbraw/zinc/61/84/41/841618441.db2.gz SLKFYJGJIUYHEP-UHFFFAOYSA-N 2 2 277.719 0.726 20 0 CCADLP C[NH+]1CC(C[NH2+][C@@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)C1 ZINC001171691749 841757908 /nfs/dbraw/zinc/75/79/08/841757908.db2.gz UNEFTJMNKAHBEM-LLVKDONJSA-N 2 2 283.372 0.674 20 0 CCADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCN(C2CC2)C(=O)C1 ZINC001171997103 841780756 /nfs/dbraw/zinc/78/07/56/841780756.db2.gz AWDCSDGQRJFKKA-DGCLKSJQSA-N 2 2 251.374 0.824 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCN(C2CC2)C(=O)C1 ZINC001171997103 841780750 /nfs/dbraw/zinc/78/07/50/841780750.db2.gz AWDCSDGQRJFKKA-DGCLKSJQSA-N 2 2 251.374 0.824 20 0 CCADLP C[NH+](C)[C@@H]1CCCN(C2C[C@@H]3COC[C@H](C2)[N@@H+]3C)C1 ZINC001172140161 841845139 /nfs/dbraw/zinc/84/51/39/841845139.db2.gz SGVHLWIQSBJHDV-FFHGMXDLSA-N 2 2 267.417 0.874 20 0 CCADLP C[NH+](C)[C@@H]1CCCN(C2C[C@@H]3COC[C@H](C2)[N@H+]3C)C1 ZINC001172140161 841845147 /nfs/dbraw/zinc/84/51/47/841845147.db2.gz SGVHLWIQSBJHDV-FFHGMXDLSA-N 2 2 267.417 0.874 20 0 CCADLP COCCC[NH+]1CCC(NC(=[NH2+])N2CC[NH+](C)CC2)CC1 ZINC001172247442 841908976 /nfs/dbraw/zinc/90/89/76/841908976.db2.gz PEMPVTXQXJCTRN-UHFFFAOYSA-N 3 2 297.447 0.259 20 0 CCADLP COCCC[NH+]1CCC([N@@H+]2CCO[C@]3(CCOC3)C2)CC1 ZINC001172252504 841912031 /nfs/dbraw/zinc/91/20/31/841912031.db2.gz OQSIGHDQDRWGMK-MRXNPFEDSA-N 2 2 298.427 0.979 20 0 CCADLP COCCC[NH+]1CCC([N@H+]2CCO[C@]3(CCOC3)C2)CC1 ZINC001172252504 841912040 /nfs/dbraw/zinc/91/20/40/841912040.db2.gz OQSIGHDQDRWGMK-MRXNPFEDSA-N 2 2 298.427 0.979 20 0 CCADLP CC[N@@H+]1CC[C@H](N[C@@H](CCc2cn(C)c[nH+]2)C(=O)OC)C1 ZINC001173356480 842054629 /nfs/dbraw/zinc/05/46/29/842054629.db2.gz FBWQVBDEHNUYCD-KBPBESRZSA-N 2 2 294.399 0.578 20 0 CCADLP CC[N@H+]1CC[C@H](N[C@@H](CCc2cn(C)c[nH+]2)C(=O)OC)C1 ZINC001173356480 842054641 /nfs/dbraw/zinc/05/46/41/842054641.db2.gz FBWQVBDEHNUYCD-KBPBESRZSA-N 2 2 294.399 0.578 20 0 CCADLP CCOC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2CC[N@H+](CC)C2)cn1 ZINC001173355450 842056631 /nfs/dbraw/zinc/05/66/31/842056631.db2.gz BDPGLVWQTSLIGY-OLZOCXBDSA-N 2 2 280.372 0.583 20 0 CCADLP CCOC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2CC[N@@H+](CC)C2)cn1 ZINC001173355450 842056640 /nfs/dbraw/zinc/05/66/40/842056640.db2.gz BDPGLVWQTSLIGY-OLZOCXBDSA-N 2 2 280.372 0.583 20 0 CCADLP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+]2CCO[C@H](C[NH3+])C2)C1 ZINC001173621811 842118062 /nfs/dbraw/zinc/11/80/62/842118062.db2.gz HXPCWWBXVBSRKS-FRRDWIJNSA-N 2 2 270.373 0.768 20 0 CCADLP CCOC(=O)C[C@@H]1CC[C@H]([N@H+]2CCO[C@H](C[NH3+])C2)C1 ZINC001173621811 842118067 /nfs/dbraw/zinc/11/80/67/842118067.db2.gz HXPCWWBXVBSRKS-FRRDWIJNSA-N 2 2 270.373 0.768 20 0 CCADLP Cc1conc1C[NH2+]CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001174690138 842200694 /nfs/dbraw/zinc/20/06/94/842200694.db2.gz BLGPSKCMSHCEJL-UHFFFAOYSA-N 2 2 291.355 0.853 20 0 CCADLP C[C@@H](O)C[NH2+]CCCC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175881591 842289869 /nfs/dbraw/zinc/28/98/69/842289869.db2.gz RGICTYZVMNCQLM-VXGBXAGGSA-N 2 2 282.388 0.598 20 0 CCADLP Cc1nnc(C[NH2+]CCCNC(=O)Cn2cc[nH+]c2C)o1 ZINC001176125413 842330882 /nfs/dbraw/zinc/33/08/82/842330882.db2.gz BCNOTGIXXYZXLG-UHFFFAOYSA-N 2 2 292.343 0.179 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NCCC[NH2+]C[C@@H]1CCOC1 ZINC001177351714 842562191 /nfs/dbraw/zinc/56/21/91/842562191.db2.gz NSZUDJDRICNZJF-AWEZNQCLSA-N 2 2 294.399 0.796 20 0 CCADLP CCO[C@H](C[NH2+]CCCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001177406450 842581141 /nfs/dbraw/zinc/58/11/41/842581141.db2.gz XUEMOQROGJHOEA-CQSZACIVSA-N 2 2 294.399 0.794 20 0 CCADLP CC(C)OCC[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177415309 842587467 /nfs/dbraw/zinc/58/74/67/842587467.db2.gz RESRNMBHBRJVFL-UHFFFAOYSA-N 2 2 268.361 0.404 20 0 CCADLP Cc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)nn1 ZINC001177753822 842668083 /nfs/dbraw/zinc/66/80/83/842668083.db2.gz RSFIRGXYWKGDLS-CYBMUJFWSA-N 2 2 291.399 0.462 20 0 CCADLP Cc1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)nn1 ZINC001177753822 842668086 /nfs/dbraw/zinc/66/80/86/842668086.db2.gz RSFIRGXYWKGDLS-CYBMUJFWSA-N 2 2 291.399 0.462 20 0 CCADLP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178119320 842763319 /nfs/dbraw/zinc/76/33/19/842763319.db2.gz OMHRBUOCTYCKKO-SNVBAGLBSA-N 2 2 286.339 0.229 20 0 CCADLP CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001178414808 842845687 /nfs/dbraw/zinc/84/56/87/842845687.db2.gz PGJOXSZJUGJTPZ-MELADBBJSA-N 2 2 283.416 0.696 20 0 CCADLP CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001178414808 842845694 /nfs/dbraw/zinc/84/56/94/842845694.db2.gz PGJOXSZJUGJTPZ-MELADBBJSA-N 2 2 283.416 0.696 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@H]1C ZINC001178572471 842881518 /nfs/dbraw/zinc/88/15/18/842881518.db2.gz ITNMYCHBLZWKJQ-AVGNSLFASA-N 2 2 294.399 0.956 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCCCCCC[NH2+]CCO ZINC001179689455 843034719 /nfs/dbraw/zinc/03/47/19/843034719.db2.gz CDHZXMUXFZJXDC-UHFFFAOYSA-N 2 2 268.361 0.211 20 0 CCADLP CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C[NH+](CC)CC ZINC001180390837 843159902 /nfs/dbraw/zinc/15/99/02/843159902.db2.gz ASORCFZMCSAVDH-LBPRGKRZSA-N 2 2 296.371 0.342 20 0 CCADLP COCC[NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1 ZINC001180470541 843186082 /nfs/dbraw/zinc/18/60/82/843186082.db2.gz PSUXSTMDHKCOHN-UHFFFAOYSA-N 2 2 282.388 0.796 20 0 CCADLP C[C@H]([NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001180469679 843186950 /nfs/dbraw/zinc/18/69/50/843186950.db2.gz CMXICXOEGAKDPJ-LBPRGKRZSA-N 2 2 295.387 0.023 20 0 CCADLP C[NH+](C)CCC(C)(C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001180763808 843296080 /nfs/dbraw/zinc/29/60/80/843296080.db2.gz MOKYYTBJEAZNPW-NSHDSACASA-N 2 2 257.378 0.164 20 0 CCADLP C[NH+](C)CCC(C)(C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001180763808 843296088 /nfs/dbraw/zinc/29/60/88/843296088.db2.gz MOKYYTBJEAZNPW-NSHDSACASA-N 2 2 257.378 0.164 20 0 CCADLP C[NH+]1CCC([NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)CC1 ZINC001182202656 843753267 /nfs/dbraw/zinc/75/32/67/843753267.db2.gz CJIFYUHMKNTVBQ-QWHCGFSZSA-N 2 2 251.374 0.824 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)nc2)C[C@@H]1O ZINC001206511738 843812833 /nfs/dbraw/zinc/81/28/33/843812833.db2.gz AEFMNZXFLJQIKR-UWVGGRQHSA-N 2 2 275.274 0.852 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)nc2)C[C@@H]1O ZINC001206511738 843812847 /nfs/dbraw/zinc/81/28/47/843812847.db2.gz AEFMNZXFLJQIKR-UWVGGRQHSA-N 2 2 275.274 0.852 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)[C@@H]1CC[N@H+]1C(C)C ZINC001182861786 843929562 /nfs/dbraw/zinc/92/95/62/843929562.db2.gz JQAQSQBAEUNHPD-LBPRGKRZSA-N 2 2 250.346 0.790 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)[C@@H]1CC[N@@H+]1C(C)C ZINC001182861786 843929566 /nfs/dbraw/zinc/92/95/66/843929566.db2.gz JQAQSQBAEUNHPD-LBPRGKRZSA-N 2 2 250.346 0.790 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001188346308 844871729 /nfs/dbraw/zinc/87/17/29/844871729.db2.gz HTFFDLPMASFGDM-CYBMUJFWSA-N 2 2 280.372 0.236 20 0 CCADLP CCN(CC[NH2+]C[C@H]1CC[C@@H](C)O1)C(=O)Cc1c[nH+]c[nH]1 ZINC001273628333 845756508 /nfs/dbraw/zinc/75/65/08/845756508.db2.gz DSQXLAWAHMJXHF-TZMCWYRMSA-N 2 2 294.399 0.958 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)CCCC[NH+](C)C)CCO2 ZINC001273636852 845824210 /nfs/dbraw/zinc/82/42/10/845824210.db2.gz ITNXVGYUHDQQDO-UHFFFAOYSA-N 2 2 283.416 0.651 20 0 CCADLP CC[C@@H](C[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)OC ZINC001192550980 845865913 /nfs/dbraw/zinc/86/59/13/845865913.db2.gz NBZAJMCDEVVJPC-KBPBESRZSA-N 2 2 294.399 0.910 20 0 CCADLP CC[C@@H](C[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)OC ZINC001192550980 845865921 /nfs/dbraw/zinc/86/59/21/845865921.db2.gz NBZAJMCDEVVJPC-KBPBESRZSA-N 2 2 294.399 0.910 20 0 CCADLP CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192639823 845889006 /nfs/dbraw/zinc/88/90/06/845889006.db2.gz JNTMGZDZEKQFEF-VXGBXAGGSA-N 2 2 280.372 0.304 20 0 CCADLP CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192639823 845889014 /nfs/dbraw/zinc/88/90/14/845889014.db2.gz JNTMGZDZEKQFEF-VXGBXAGGSA-N 2 2 280.372 0.304 20 0 CCADLP C[N@H+](CCCO)[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001193470445 846086675 /nfs/dbraw/zinc/08/66/75/846086675.db2.gz YSUFVZRKGRGIBD-LBPRGKRZSA-N 2 2 294.399 0.602 20 0 CCADLP C[N@@H+](CCCO)[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001193470445 846086681 /nfs/dbraw/zinc/08/66/81/846086681.db2.gz YSUFVZRKGRGIBD-LBPRGKRZSA-N 2 2 294.399 0.602 20 0 CCADLP CO[C@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194448446 846302300 /nfs/dbraw/zinc/30/23/00/846302300.db2.gz FVEUUPSAQSPDRZ-CHWSQXEVSA-N 2 2 280.372 0.451 20 0 CCADLP CO[C@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194448446 846302307 /nfs/dbraw/zinc/30/23/07/846302307.db2.gz FVEUUPSAQSPDRZ-CHWSQXEVSA-N 2 2 280.372 0.451 20 0 CCADLP Cn1cncc1C[N@@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197028323 846834949 /nfs/dbraw/zinc/83/49/49/846834949.db2.gz DABDYBBLRJEOBE-UHFFFAOYSA-N 2 2 293.415 0.406 20 0 CCADLP Cn1cncc1C[N@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197028323 846834954 /nfs/dbraw/zinc/83/49/54/846834954.db2.gz DABDYBBLRJEOBE-UHFFFAOYSA-N 2 2 293.415 0.406 20 0 CCADLP COC(C[NH+]1CCC([NH2+]C2CCOCC2)CC1)OC ZINC001197737453 846955964 /nfs/dbraw/zinc/95/59/64/846955964.db2.gz BCSJJLVNKFSDPH-UHFFFAOYSA-N 2 2 272.389 0.838 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001199349361 847294244 /nfs/dbraw/zinc/29/42/44/847294244.db2.gz IDQIPKXPAAFMIT-LLVKDONJSA-N 2 2 260.341 0.678 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)N1CC[N@H+]2CC[C@@H]2C1 ZINC001199349361 847294249 /nfs/dbraw/zinc/29/42/49/847294249.db2.gz IDQIPKXPAAFMIT-LLVKDONJSA-N 2 2 260.341 0.678 20 0 CCADLP C[NH+](C)CCN1CC[C@]2(CC[N@@H+](CC(F)F)C2)C1=O ZINC001273844895 847658720 /nfs/dbraw/zinc/65/87/20/847658720.db2.gz JQGKWZMHOUXDDW-ZDUSSCGKSA-N 2 2 275.343 0.738 20 0 CCADLP CCC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCCO1 ZINC001201104846 847721839 /nfs/dbraw/zinc/72/18/39/847721839.db2.gz VFTNDAHTGGYQNY-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP CCC[N@H+]1Cc2nccn2C[C@@H](CN2CC[NH+](C)CC2)C1 ZINC001201642599 847800306 /nfs/dbraw/zinc/80/03/06/847800306.db2.gz ZXVBMERNWYSOQN-HNNXBMFYSA-N 2 2 291.443 0.972 20 0 CCADLP CCC[N@@H+]1Cc2nccn2C[C@@H](CN2CC[NH+](C)CC2)C1 ZINC001201642599 847800311 /nfs/dbraw/zinc/80/03/11/847800311.db2.gz ZXVBMERNWYSOQN-HNNXBMFYSA-N 2 2 291.443 0.972 20 0 CCADLP CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1OC ZINC001205947188 847899766 /nfs/dbraw/zinc/89/97/66/847899766.db2.gz YMZPQXXLWKLRMP-CHWSQXEVSA-N 2 2 280.368 0.988 20 0 CCADLP CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1OC ZINC001205947188 847899772 /nfs/dbraw/zinc/89/97/72/847899772.db2.gz YMZPQXXLWKLRMP-CHWSQXEVSA-N 2 2 280.368 0.988 20 0 CCADLP CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]c[nH+]1 ZINC001114389087 848032094 /nfs/dbraw/zinc/03/20/94/848032094.db2.gz LPJVOGSMHVHTGU-NHAGDIPZSA-N 2 2 292.383 0.425 20 0 CCADLP CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]c[nH+]1 ZINC001114389087 848032099 /nfs/dbraw/zinc/03/20/99/848032099.db2.gz LPJVOGSMHVHTGU-NHAGDIPZSA-N 2 2 292.383 0.425 20 0 CCADLP CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]c[nH]1 ZINC001114389087 848032102 /nfs/dbraw/zinc/03/21/02/848032102.db2.gz LPJVOGSMHVHTGU-NHAGDIPZSA-N 2 2 292.383 0.425 20 0 CCADLP CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]c[nH]1 ZINC001114389087 848032105 /nfs/dbraw/zinc/03/21/05/848032105.db2.gz LPJVOGSMHVHTGU-NHAGDIPZSA-N 2 2 292.383 0.425 20 0 CCADLP O=S(=O)([C@H]1CCC[NH2+]C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000923627240 848078298 /nfs/dbraw/zinc/07/82/98/848078298.db2.gz TULOGLBOINBPKP-LBPRGKRZSA-N 2 2 298.412 0.671 20 0 CCADLP COCC[N@@H+]1CCO[C@@H]2C[NH+](Cc3cc[nH]n3)CC[C@@H]2C1 ZINC001137127909 848133244 /nfs/dbraw/zinc/13/32/44/848133244.db2.gz QTWNOCGWCLXMNZ-UKRRQHHQSA-N 2 2 294.399 0.579 20 0 CCADLP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3cc[nH]n3)CC[C@@H]2C1 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CCADLP C[N@@H+](Cc1ccccc1)C1CC[NH+](C[C@H](O)CO)CC1 ZINC000717536538 848442672 /nfs/dbraw/zinc/44/26/72/848442672.db2.gz METOJVXNANUNDD-INIZCTEOSA-N 2 2 278.396 0.936 20 0 CCADLP COCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001274299538 848443423 /nfs/dbraw/zinc/44/34/23/848443423.db2.gz SXHYCWGGPAPZJN-UONOGXRCSA-N 2 2 294.399 0.746 20 0 CCADLP C[NH+]1CCC(C(=O)NC/C=C/C[NH2+]Cc2ccon2)CC1 ZINC001274332438 848453564 /nfs/dbraw/zinc/45/35/64/848453564.db2.gz TUWANAYOWTYXER-NSCUHMNNSA-N 2 2 292.383 0.778 20 0 CCADLP Cc1cnc(C[NH2+]C/C=C/CNC(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001274578235 848509778 /nfs/dbraw/zinc/50/97/78/848509778.db2.gz GNLIBJJEIMTMEP-OOPCZODUSA-N 2 2 292.383 0.697 20 0 CCADLP Cc1cnc(C[NH2+]C/C=C/CNC(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001274578235 848509788 /nfs/dbraw/zinc/50/97/88/848509788.db2.gz GNLIBJJEIMTMEP-OOPCZODUSA-N 2 2 292.383 0.697 20 0 CCADLP Cc1cc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CC[N@@H+](C)C2)no1 ZINC001274579187 848513055 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CC[C@@H](C[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1)OC ZINC001275467694 848728568 /nfs/dbraw/zinc/72/85/68/848728568.db2.gz MWEHCFDMOYDAOO-RYUDHWBXSA-N 2 2 268.361 0.402 20 0 CCADLP Cc1cc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)nn1C ZINC001275659987 848784865 /nfs/dbraw/zinc/78/48/65/848784865.db2.gz KGJPASYBMBCIIV-HOTGVXAUSA-N 2 2 291.443 0.939 20 0 CCADLP Cc1cc(C[N@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)nn1C ZINC001275659987 848784871 /nfs/dbraw/zinc/78/48/71/848784871.db2.gz KGJPASYBMBCIIV-HOTGVXAUSA-N 2 2 291.443 0.939 20 0 CCADLP Cc1c[nH]c(C[N@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)n1 ZINC001275687763 848791710 /nfs/dbraw/zinc/79/17/10/848791710.db2.gz FYXNPKBICRZZKW-UONOGXRCSA-N 2 2 277.416 0.786 20 0 CCADLP Cc1c[nH]c(C[N@@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)n1 ZINC001275687763 848791713 /nfs/dbraw/zinc/79/17/13/848791713.db2.gz FYXNPKBICRZZKW-UONOGXRCSA-N 2 2 277.416 0.786 20 0 CCADLP c1c[nH]c(CN2C[C@@H]3C[C@H]2C[N@H+](CCn2cc[nH+]c2)C3)n1 ZINC001275847462 848845330 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CO[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001098492315 854869597 /nfs/dbraw/zinc/86/95/97/854869597.db2.gz KOFKVTMUUXNTLO-DGAVXFQQSA-N 2 2 292.383 0.640 20 0 CCADLP CC(C)C[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001099872317 855014688 /nfs/dbraw/zinc/01/46/88/855014688.db2.gz SGCMQHWBPAFFNG-KGLIPLIRSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)C[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001099872317 855014693 /nfs/dbraw/zinc/01/46/93/855014693.db2.gz SGCMQHWBPAFFNG-KGLIPLIRSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)C[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001099872317 855014701 /nfs/dbraw/zinc/01/47/01/855014701.db2.gz SGCMQHWBPAFFNG-KGLIPLIRSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)C[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001099872317 855014706 /nfs/dbraw/zinc/01/47/06/855014706.db2.gz SGCMQHWBPAFFNG-KGLIPLIRSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099939907 855038629 /nfs/dbraw/zinc/03/86/29/855038629.db2.gz OBEGUHWMIRTEHU-QWHCGFSZSA-N 2 2 280.372 0.233 20 0 CCADLP CC(C)[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099939907 855038638 /nfs/dbraw/zinc/03/86/38/855038638.db2.gz OBEGUHWMIRTEHU-QWHCGFSZSA-N 2 2 280.372 0.233 20 0 CCADLP COCC[NH2+]C1CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001100550705 855185761 /nfs/dbraw/zinc/18/57/61/855185761.db2.gz YGWHVPCEHOVORO-UHFFFAOYSA-N 2 2 280.372 0.404 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102482617 855437353 /nfs/dbraw/zinc/43/73/53/855437353.db2.gz BCIZDWLCUPLMNH-IJLUTSLNSA-N 2 2 280.372 0.017 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102482617 855437359 /nfs/dbraw/zinc/43/73/59/855437359.db2.gz BCIZDWLCUPLMNH-IJLUTSLNSA-N 2 2 280.372 0.017 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102513728 855442196 /nfs/dbraw/zinc/44/21/96/855442196.db2.gz ZBYPBTZGHGPQMV-FRRDWIJNSA-N 2 2 294.399 0.028 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102513728 855442199 /nfs/dbraw/zinc/44/21/99/855442199.db2.gz ZBYPBTZGHGPQMV-FRRDWIJNSA-N 2 2 294.399 0.028 20 0 CCADLP CCC[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102615647 855449728 /nfs/dbraw/zinc/44/97/28/855449728.db2.gz KGFNTRNCOCHDMK-CHWSQXEVSA-N 2 2 264.373 0.977 20 0 CCADLP CCC[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102615647 855449735 /nfs/dbraw/zinc/44/97/35/855449735.db2.gz KGFNTRNCOCHDMK-CHWSQXEVSA-N 2 2 264.373 0.977 20 0 CCADLP CC[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102616635 855452411 /nfs/dbraw/zinc/45/24/11/855452411.db2.gz LJFSIJZOMGKDOE-VXGBXAGGSA-N 2 2 250.346 0.587 20 0 CCADLP CC[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102616635 855452412 /nfs/dbraw/zinc/45/24/12/855452412.db2.gz LJFSIJZOMGKDOE-VXGBXAGGSA-N 2 2 250.346 0.587 20 0 CCADLP C[C@@H](O)C[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCCCC1 ZINC001115790507 855697741 /nfs/dbraw/zinc/69/77/41/855697741.db2.gz SARCUSIPYCDLTK-GFCCVEGCSA-N 2 2 294.399 0.742 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[C@@H]1[NH3+] ZINC001118790161 856443828 /nfs/dbraw/zinc/44/38/28/856443828.db2.gz OQFNEIKSCNOESP-UTUOFQBUSA-N 2 2 262.357 0.641 20 0 CCADLP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001118847691 856463224 /nfs/dbraw/zinc/46/32/24/856463224.db2.gz ASWUOWVNCBOVPA-GRYCIOLGSA-N 2 2 262.357 0.689 20 0 CCADLP O=C(NC[C@@H]1CCC[NH2+]C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001118848207 856464212 /nfs/dbraw/zinc/46/42/12/856464212.db2.gz LYNHKHPQECYYAM-VXGBXAGGSA-N 2 2 262.357 0.561 20 0 CCADLP C[C@@H]1CN(C(=O)NCc2c[nH+]cn2C)CC[C@@H]1[NH3+] ZINC001119482892 856702170 /nfs/dbraw/zinc/70/21/70/856702170.db2.gz MPPFHZHZTFRTEV-KOLCDFICSA-N 2 2 251.334 0.299 20 0 CCADLP OC[C@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC001119640326 856799244 /nfs/dbraw/zinc/79/92/44/856799244.db2.gz OUQQBHFAKGTABK-MRVWCRGKSA-N 2 2 254.374 0.600 20 0 CCADLP OC[C@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC001119640328 856800301 /nfs/dbraw/zinc/80/03/01/856800301.db2.gz OUQQBHFAKGTABK-UBHSHLNASA-N 2 2 254.374 0.600 20 0 CCADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)o1 ZINC001393751525 912738612 /nfs/dbraw/zinc/73/86/12/912738612.db2.gz SGJMTYPIHXASAT-PWSUYJOCSA-N 2 2 295.387 0.266 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)CC[N@@H+]1CCO ZINC001393788559 912757971 /nfs/dbraw/zinc/75/79/71/912757971.db2.gz PALWLNSWGJKTII-STQMWFEESA-N 2 2 294.399 0.314 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)CC[N@H+]1CCO ZINC001393788559 912757988 /nfs/dbraw/zinc/75/79/88/912757988.db2.gz PALWLNSWGJKTII-STQMWFEESA-N 2 2 294.399 0.314 20 0 CCADLP C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CCn1cccn1 ZINC001393823373 912782021 /nfs/dbraw/zinc/78/20/21/912782021.db2.gz OUNPZJKTYDTKIK-LBPRGKRZSA-N 2 2 290.371 0.333 20 0 CCADLP CC(C)[C@@H](CCN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]C[C@@H](C)O ZINC001394192924 913063705 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Cc1ncc(C[NH+](C)CCNC(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001418490376 891812658 /nfs/dbraw/zinc/81/26/58/891812658.db2.gz VFYMEGBZLQEIAF-CYBMUJFWSA-N 2 2 280.372 0.625 20 0 CCADLP CCc1nnc(C[NH2+]CCN(C)C(=O)[C@H](CC)[NH+](C)C)o1 ZINC001267456650 891912494 /nfs/dbraw/zinc/91/24/94/891912494.db2.gz FGKAOPYNFVBWMU-NSHDSACASA-N 2 2 297.403 0.520 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001481096408 892158935 /nfs/dbraw/zinc/15/89/35/892158935.db2.gz RUMXMRBIPKHXNO-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001481096408 892158944 /nfs/dbraw/zinc/15/89/44/892158944.db2.gz RUMXMRBIPKHXNO-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001481096408 892158952 /nfs/dbraw/zinc/15/89/52/892158952.db2.gz RUMXMRBIPKHXNO-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001481096408 892158960 /nfs/dbraw/zinc/15/89/60/892158960.db2.gz RUMXMRBIPKHXNO-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC001342166366 892702255 /nfs/dbraw/zinc/70/22/55/892702255.db2.gz VCULNPCIGBYYOH-JMJZKYOTSA-N 2 2 254.309 0.486 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC001342166366 892702263 /nfs/dbraw/zinc/70/22/63/892702263.db2.gz VCULNPCIGBYYOH-JMJZKYOTSA-N 2 2 254.309 0.486 20 0 CCADLP COCCC[NH+]1CC(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001481567498 892841635 /nfs/dbraw/zinc/84/16/35/892841635.db2.gz TWYFOMMGIFSFJQ-CABCVRRESA-N 2 2 295.427 0.840 20 0 CCADLP COCCC[NH+]1CC(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001481567498 892841640 /nfs/dbraw/zinc/84/16/40/892841640.db2.gz TWYFOMMGIFSFJQ-CABCVRRESA-N 2 2 295.427 0.840 20 0 CCADLP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cnsn1 ZINC001481879867 893240707 /nfs/dbraw/zinc/24/07/07/893240707.db2.gz ZWIZZJDNECFOQW-LLVKDONJSA-N 2 2 297.428 0.618 20 0 CCADLP CO[C@H](C)C[NH2+]CC1(NC(=O)Cn2cc[nH+]c2)CCCC1 ZINC001481913216 893257457 /nfs/dbraw/zinc/25/74/57/893257457.db2.gz QOTFVEWIAGMWGV-CYBMUJFWSA-N 2 2 294.399 0.937 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1cccnc1 ZINC001482175113 893460370 /nfs/dbraw/zinc/46/03/70/893460370.db2.gz KSUSZKLBVNZPFU-ZDUSSCGKSA-N 2 2 287.367 0.820 20 0 CCADLP COCC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001284243956 893485894 /nfs/dbraw/zinc/48/58/94/893485894.db2.gz PXDPARLZSRVOPP-OLZOCXBDSA-N 2 2 294.399 0.782 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1nncs1 ZINC001422757539 893867890 /nfs/dbraw/zinc/86/78/90/893867890.db2.gz AAJKLYCZUQMQSN-JTQLQIEISA-N 2 2 285.417 0.473 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1nncs1 ZINC001422757539 893867909 /nfs/dbraw/zinc/86/79/09/893867909.db2.gz AAJKLYCZUQMQSN-JTQLQIEISA-N 2 2 285.417 0.473 20 0 CCADLP COCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001482486005 894126530 /nfs/dbraw/zinc/12/65/30/894126530.db2.gz 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MEJXQKHHTPGXOB-KKUMJFAQSA-N 2 2 285.407 0.683 20 0 CCADLP C[C@H](CN1CC[N@H+]2C[C@@H](F)C[C@H]2C1)C[NH+]1CCOCC1 ZINC001413083145 902692057 /nfs/dbraw/zinc/69/20/57/902692057.db2.gz MEJXQKHHTPGXOB-KKUMJFAQSA-N 2 2 285.407 0.683 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCCO ZINC001049749112 903048627 /nfs/dbraw/zinc/04/86/27/903048627.db2.gz AFWRKGYIXTWXLR-ZIAGYGMSSA-N 2 2 292.383 0.400 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCO ZINC001049749112 903048643 /nfs/dbraw/zinc/04/86/43/903048643.db2.gz AFWRKGYIXTWXLR-ZIAGYGMSSA-N 2 2 292.383 0.400 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]2[C@H]1CC[N@H+]2CCCO ZINC001049749111 903050260 /nfs/dbraw/zinc/05/02/60/903050260.db2.gz AFWRKGYIXTWXLR-UONOGXRCSA-N 2 2 292.383 0.400 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCO ZINC001049749111 903050277 /nfs/dbraw/zinc/05/02/77/903050277.db2.gz AFWRKGYIXTWXLR-UONOGXRCSA-N 2 2 292.383 0.400 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001398552153 914696956 /nfs/dbraw/zinc/69/69/56/914696956.db2.gz BHXQLQWPNAWVCJ-RNJOBUHISA-N 2 2 294.399 0.860 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001398552153 914696970 /nfs/dbraw/zinc/69/69/70/914696970.db2.gz BHXQLQWPNAWVCJ-RNJOBUHISA-N 2 2 294.399 0.860 20 0 CCADLP CO[C@H](C[N@H+](C)CCNC(=O)Cc1c[nH]c[nH+]1)C1CCC1 ZINC001377229907 904704494 /nfs/dbraw/zinc/70/44/94/904704494.db2.gz SGLBQVBABXSWRU-CQSZACIVSA-N 2 2 294.399 0.815 20 0 CCADLP CO[C@H](C[N@@H+](C)CCNC(=O)Cc1c[nH]c[nH+]1)C1CCC1 ZINC001377229907 904704507 /nfs/dbraw/zinc/70/45/07/904704507.db2.gz SGLBQVBABXSWRU-CQSZACIVSA-N 2 2 294.399 0.815 20 0 CCADLP C[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)CC[C@@H]1CCOC1 ZINC001377238114 904713506 /nfs/dbraw/zinc/71/35/06/904713506.db2.gz RKOPRYWXGODYKZ-GFCCVEGCSA-N 2 2 280.372 0.427 20 0 CCADLP C[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)CC[C@@H]1CCOC1 ZINC001377238114 904713513 /nfs/dbraw/zinc/71/35/13/904713513.db2.gz RKOPRYWXGODYKZ-GFCCVEGCSA-N 2 2 280.372 0.427 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@@H+]1CCO ZINC001377376643 904813611 /nfs/dbraw/zinc/81/36/11/904813611.db2.gz FQGYBZYFXQFYFI-KBPBESRZSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@H+]1CCO ZINC001377376643 904813630 /nfs/dbraw/zinc/81/36/30/904813630.db2.gz FQGYBZYFXQFYFI-KBPBESRZSA-N 2 2 294.399 0.625 20 0 CCADLP Cc1ncoc1C[NH2+][C@@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001377511993 904954046 /nfs/dbraw/zinc/95/40/46/904954046.db2.gz QTHVFWQSVGXCMC-JTQLQIEISA-N 2 2 291.355 0.933 20 0 CCADLP C[C@H](CC(=O)NCC[N@H+](CCO)C1CC1)n1cc[nH+]c1 ZINC001377546807 904984855 /nfs/dbraw/zinc/98/48/55/904984855.db2.gz LWQVFRQXRVOFFY-GFCCVEGCSA-N 2 2 280.372 0.407 20 0 CCADLP C[C@H](CC(=O)NCC[N@@H+](CCO)C1CC1)n1cc[nH+]c1 ZINC001377546807 904984869 /nfs/dbraw/zinc/98/48/69/904984869.db2.gz LWQVFRQXRVOFFY-GFCCVEGCSA-N 2 2 280.372 0.407 20 0 CCADLP C[C@H]([NH2+]CCN(C)C(=O)C[NH+]1CCCC1)c1csnn1 ZINC001377593413 905036127 /nfs/dbraw/zinc/03/61/27/905036127.db2.gz AJUGXCHBBMHLGC-NSHDSACASA-N 2 2 297.428 0.743 20 0 CCADLP COCCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1C ZINC001283922372 905084749 /nfs/dbraw/zinc/08/47/49/905084749.db2.gz IWWIAZKQFUDYKF-VXGBXAGGSA-N 2 2 280.372 0.568 20 0 CCADLP C[C@H](NC(=O)NCC[NH+]1CCC([NH3+])CC1)C1(C)CC1 ZINC001337023620 921159504 /nfs/dbraw/zinc/15/95/04/921159504.db2.gz CUCAFOBJHKTMJK-NSHDSACASA-N 2 2 268.405 0.897 20 0 CCADLP C[C@@H](NC(=O)CCc1[nH+]ccn1C)C1C[NH+](C[C@H](C)O)C1 ZINC001378534678 905668001 /nfs/dbraw/zinc/66/80/01/905668001.db2.gz KYITWLWCGTWNLL-NWDGAFQWSA-N 2 2 294.399 0.170 20 0 CCADLP CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001378766201 905803520 /nfs/dbraw/zinc/80/35/20/905803520.db2.gz RUSMPMUHGOBDJQ-RYUDHWBXSA-N 2 2 280.372 0.568 20 0 CCADLP [NH3+]CCOCC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001337086795 921181640 /nfs/dbraw/zinc/18/16/40/921181640.db2.gz JQBLVFCZRBUIIU-CQSZACIVSA-N 2 2 288.351 0.716 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1C[C@H]([NH2+]CCCF)C1 ZINC001316641901 905826184 /nfs/dbraw/zinc/82/61/84/905826184.db2.gz QQGPFOOHPZSANY-HAQNSBGRSA-N 2 2 268.336 0.727 20 0 CCADLP CO[C@H](C)C[N@H+](C)CCN(C)C(=O)CCn1cc[nH+]c1 ZINC001379082230 905985517 /nfs/dbraw/zinc/98/55/17/905985517.db2.gz GTVSTNLDEXORJE-CYBMUJFWSA-N 2 2 282.388 0.698 20 0 CCADLP CO[C@H](C)C[N@@H+](C)CCN(C)C(=O)CCn1cc[nH+]c1 ZINC001379082230 905985530 /nfs/dbraw/zinc/98/55/30/905985530.db2.gz GTVSTNLDEXORJE-CYBMUJFWSA-N 2 2 282.388 0.698 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NC[C@H](CO)[NH2+]CC1CCC1 ZINC001379442706 906243685 /nfs/dbraw/zinc/24/36/85/906243685.db2.gz UHRWXURYYMYHDJ-CYBMUJFWSA-N 2 2 294.399 0.220 20 0 CCADLP C[C@@H](C[NH2+]Cc1nncs1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001379489790 906290621 /nfs/dbraw/zinc/29/06/21/906290621.db2.gz JRHHEBUGMHDDAE-UWVGGRQHSA-N 2 2 283.401 0.227 20 0 CCADLP C[C@@H](C[NH2+]Cc1nncs1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001379489790 906290647 /nfs/dbraw/zinc/29/06/47/906290647.db2.gz JRHHEBUGMHDDAE-UWVGGRQHSA-N 2 2 283.401 0.227 20 0 CCADLP CC(C)[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001379813437 906490295 /nfs/dbraw/zinc/49/02/95/906490295.db2.gz WVVZSVNTXAMSMW-CHWSQXEVSA-N 2 2 294.399 0.263 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[C@H]1[NH3+] ZINC001335307475 906649278 /nfs/dbraw/zinc/64/92/78/906649278.db2.gz DPEBDYKLAFTWOU-IRCOFANPSA-N 2 2 262.357 0.719 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCC[C@](CO)([NH2+]CCF)C1 ZINC001381044518 907049802 /nfs/dbraw/zinc/04/98/02/907049802.db2.gz JAHZQXNJQGDOLG-AWEZNQCLSA-N 2 2 298.362 0.186 20 0 CCADLP COC[C@H](C)[NH2+]CC1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001381337539 907161050 /nfs/dbraw/zinc/16/10/50/907161050.db2.gz HDWYAVPARRGXCX-HIFPTAJRSA-N 2 2 294.399 0.482 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]2CCCC2)[nH]1 ZINC001381449011 907205690 /nfs/dbraw/zinc/20/56/90/907205690.db2.gz NEEARDKUAYTHQY-MNOVXSKESA-N 2 2 294.403 0.192 20 0 CCADLP CC(C)OCC[NH+]1CC([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001381807428 907407560 /nfs/dbraw/zinc/40/75/60/907407560.db2.gz PTMHLMNQVWQAEX-LBPRGKRZSA-N 2 2 294.399 0.814 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H](C[NH2+]CCF)C1 ZINC001491852309 907607416 /nfs/dbraw/zinc/60/74/16/907607416.db2.gz YOGKLNRNRCHUHQ-GFCCVEGCSA-N 2 2 282.363 0.760 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N[C@H]1CCC[C@@H]([NH2+]CCO)C1 ZINC001491895364 907628864 /nfs/dbraw/zinc/62/88/64/907628864.db2.gz GAALKQROSODYLV-KGLIPLIRSA-N 2 2 294.399 0.673 20 0 CCADLP C[C@H]1[C@H]([NH2+]Cc2cnsn2)CCN1C(=O)CC[NH+](C)C ZINC001382284090 907661128 /nfs/dbraw/zinc/66/11/28/907661128.db2.gz IOIYFQJLWJYQRP-CMPLNLGQSA-N 2 2 297.428 0.569 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001492101713 907701593 /nfs/dbraw/zinc/70/15/93/907701593.db2.gz KCMPUHVOLRRHHU-MNOVXSKESA-N 2 2 268.361 0.472 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001492101714 907702863 /nfs/dbraw/zinc/70/28/63/907702863.db2.gz KCMPUHVOLRRHHU-QWRGUYRKSA-N 2 2 268.361 0.472 20 0 CCADLP CN(C[C@H](O)C[N@H+](C)CC1CC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001382475465 907764702 /nfs/dbraw/zinc/76/47/02/907764702.db2.gz TUFKQLDXBZDPDQ-GFCCVEGCSA-N 2 2 280.372 0.113 20 0 CCADLP CN(C[C@H](O)C[N@@H+](C)CC1CC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001382475465 907764715 /nfs/dbraw/zinc/76/47/15/907764715.db2.gz TUFKQLDXBZDPDQ-GFCCVEGCSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC001336782175 907991853 /nfs/dbraw/zinc/99/18/53/907991853.db2.gz YBGPGIUTRBOSAF-ZIAGYGMSSA-N 2 2 286.416 0.474 20 0 CCADLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC001336782175 907991863 /nfs/dbraw/zinc/99/18/63/907991863.db2.gz YBGPGIUTRBOSAF-ZIAGYGMSSA-N 2 2 286.416 0.474 20 0 CCADLP CC[C@H](C(=O)NCCC[N@H+](C)Cc1nnc(C)[nH]1)[NH+](C)C ZINC001316833018 908109676 /nfs/dbraw/zinc/10/96/76/908109676.db2.gz BFFWWXGATQUBCH-GFCCVEGCSA-N 2 2 296.419 0.391 20 0 CCADLP CC[C@H](C(=O)NCCC[N@@H+](C)Cc1nnc(C)[nH]1)[NH+](C)C ZINC001316833018 908109682 /nfs/dbraw/zinc/10/96/82/908109682.db2.gz BFFWWXGATQUBCH-GFCCVEGCSA-N 2 2 296.419 0.391 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC1=NOCC1 ZINC001307647940 908328899 /nfs/dbraw/zinc/32/88/99/908328899.db2.gz NZUYUBJVQUAYAT-UHFFFAOYSA-N 2 2 268.405 0.721 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC1=NOCC1 ZINC001307647940 908328914 /nfs/dbraw/zinc/32/89/14/908328914.db2.gz NZUYUBJVQUAYAT-UHFFFAOYSA-N 2 2 268.405 0.721 20 0 CCADLP C[C@H](O)[C@H](C)[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001308046069 908370042 /nfs/dbraw/zinc/37/00/42/908370042.db2.gz HELNWIONCBKIRC-SGMGOOAPSA-N 2 2 256.390 0.989 20 0 CCADLP C[C@H](O)[C@H](C)[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001308046069 908370059 /nfs/dbraw/zinc/37/00/59/908370059.db2.gz HELNWIONCBKIRC-SGMGOOAPSA-N 2 2 256.390 0.989 20 0 CCADLP C[N@@H+]1CCC[C@H](NC(=O)NCc2ccc[nH+]c2N)C1 ZINC001311652921 908561605 /nfs/dbraw/zinc/56/16/05/908561605.db2.gz IPUYYGFMGXKBDJ-NSHDSACASA-N 2 2 263.345 0.557 20 0 CCADLP C[N@H+]1CCC[C@H](NC(=O)NCc2ccc[nH+]c2N)C1 ZINC001311652921 908561615 /nfs/dbraw/zinc/56/16/15/908561615.db2.gz IPUYYGFMGXKBDJ-NSHDSACASA-N 2 2 263.345 0.557 20 0 CCADLP C[NH2+]C[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001341354077 908590161 /nfs/dbraw/zinc/59/01/61/908590161.db2.gz POCAEPIFUYIXBH-SNVBAGLBSA-N 2 2 250.346 0.755 20 0 CCADLP C[C@H](NC(=O)NCCc1cn(C)c[nH+]1)C1=CC[N@H+](C)CC1 ZINC001312479651 908603211 /nfs/dbraw/zinc/60/32/11/908603211.db2.gz FTDLDGYRBFBRCD-LBPRGKRZSA-N 2 2 291.399 0.912 20 0 CCADLP C[C@H](NC(=O)NCCc1cn(C)c[nH+]1)C1=CC[N@@H+](C)CC1 ZINC001312479651 908603214 /nfs/dbraw/zinc/60/32/14/908603214.db2.gz FTDLDGYRBFBRCD-LBPRGKRZSA-N 2 2 291.399 0.912 20 0 CCADLP CC[C@H](F)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317063741 908955082 /nfs/dbraw/zinc/95/50/82/908955082.db2.gz DBWQXFRTAKEZDR-QWRGUYRKSA-N 2 2 268.336 0.891 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001338417273 921457781 /nfs/dbraw/zinc/45/77/81/921457781.db2.gz CHICWMVTYUFJJU-BXUZGUMPSA-N 2 2 264.373 0.243 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001338417273 921457787 /nfs/dbraw/zinc/45/77/87/921457787.db2.gz CHICWMVTYUFJJU-BXUZGUMPSA-N 2 2 264.373 0.243 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCc2cncn2C1)C1CC1 ZINC001338417273 921457792 /nfs/dbraw/zinc/45/77/92/921457792.db2.gz CHICWMVTYUFJJU-BXUZGUMPSA-N 2 2 264.373 0.243 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCc2cncn2C1)C1CC1 ZINC001338417273 921457796 /nfs/dbraw/zinc/45/77/96/921457796.db2.gz CHICWMVTYUFJJU-BXUZGUMPSA-N 2 2 264.373 0.243 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001338417276 921457978 /nfs/dbraw/zinc/45/79/78/921457978.db2.gz CHICWMVTYUFJJU-SMDDNHRTSA-N 2 2 264.373 0.243 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001338417276 921457987 /nfs/dbraw/zinc/45/79/87/921457987.db2.gz CHICWMVTYUFJJU-SMDDNHRTSA-N 2 2 264.373 0.243 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCc2cncn2C1)C1CC1 ZINC001338417276 921457993 /nfs/dbraw/zinc/45/79/93/921457993.db2.gz CHICWMVTYUFJJU-SMDDNHRTSA-N 2 2 264.373 0.243 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCc2cncn2C1)C1CC1 ZINC001338417276 921458004 /nfs/dbraw/zinc/45/80/04/921458004.db2.gz CHICWMVTYUFJJU-SMDDNHRTSA-N 2 2 264.373 0.243 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001338417275 921458413 /nfs/dbraw/zinc/45/84/13/921458413.db2.gz CHICWMVTYUFJJU-RISCZKNCSA-N 2 2 264.373 0.243 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001338417275 921458420 /nfs/dbraw/zinc/45/84/20/921458420.db2.gz CHICWMVTYUFJJU-RISCZKNCSA-N 2 2 264.373 0.243 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCc2cncn2C1)C1CC1 ZINC001338417275 921458425 /nfs/dbraw/zinc/45/84/25/921458425.db2.gz CHICWMVTYUFJJU-RISCZKNCSA-N 2 2 264.373 0.243 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCc2cncn2C1)C1CC1 ZINC001338417275 921458428 /nfs/dbraw/zinc/45/84/28/921458428.db2.gz CHICWMVTYUFJJU-RISCZKNCSA-N 2 2 264.373 0.243 20 0 CCADLP CN(CC[NH2+]CCF)C(=O)c1cc(C[NH+](C)C)on1 ZINC001317602706 909397404 /nfs/dbraw/zinc/39/74/04/909397404.db2.gz GTSHTHICGKUASJ-UHFFFAOYSA-N 2 2 272.324 0.367 20 0 CCADLP CN(CC[NH2+]C[C@H]1CCOC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001317641959 909433624 /nfs/dbraw/zinc/43/36/24/909433624.db2.gz LHWIEVGOSHDNLS-LLVKDONJSA-N 2 2 266.345 0.037 20 0 CCADLP CC(C)(O)C[C@@H](O)C[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001338520053 921498171 /nfs/dbraw/zinc/49/81/71/921498171.db2.gz ISTALVZLBCWOSU-NWDGAFQWSA-N 2 2 258.406 0.971 20 0 CCADLP CC(C)(O)C[C@@H](O)C[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001338520053 921498177 /nfs/dbraw/zinc/49/81/77/921498177.db2.gz ISTALVZLBCWOSU-NWDGAFQWSA-N 2 2 258.406 0.971 20 0 CCADLP COCCC[NH+]1CC(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001318071888 909607749 /nfs/dbraw/zinc/60/77/49/909607749.db2.gz ULGMPSDVFNXMQW-UHFFFAOYSA-N 2 2 294.399 0.809 20 0 CCADLP CCOCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001318309235 909697155 /nfs/dbraw/zinc/69/71/55/909697155.db2.gz JQRPFPUJOQXBEX-LBPRGKRZSA-N 2 2 266.345 0.110 20 0 CCADLP CCOCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001318309235 909697164 /nfs/dbraw/zinc/69/71/64/909697164.db2.gz JQRPFPUJOQXBEX-LBPRGKRZSA-N 2 2 266.345 0.110 20 0 CCADLP CC(C)OCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001389448998 909901661 /nfs/dbraw/zinc/90/16/61/909901661.db2.gz HEJFQGHKZULIJE-AWEZNQCLSA-N 2 2 294.399 0.958 20 0 CCADLP CC(C)OCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001389448998 909901673 /nfs/dbraw/zinc/90/16/73/909901673.db2.gz HEJFQGHKZULIJE-AWEZNQCLSA-N 2 2 294.399 0.958 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H](C)C[NH2+]C[C@@H](C)O ZINC001319576003 910211135 /nfs/dbraw/zinc/21/11/35/910211135.db2.gz KDVSWDYIOVSSCH-NXEZZACHSA-N 2 2 268.361 0.078 20 0 CCADLP COCC[NH2+][C@@H](CNC(=O)Cc1c[nH+]cn1C)C(C)C ZINC001319955665 910373828 /nfs/dbraw/zinc/37/38/28/910373828.db2.gz GNEDMBMQVPYAIR-ZDUSSCGKSA-N 2 2 282.388 0.339 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H](O)C[NH2+]C/C=C\Cl ZINC001320226979 910541246 /nfs/dbraw/zinc/54/12/46/910541246.db2.gz JDWLLTIRTXHXBL-PNDGHQIGSA-N 2 2 286.763 0.162 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H](O)C[NH2+]C/C=C\Cl ZINC001320226979 910541263 /nfs/dbraw/zinc/54/12/63/910541263.db2.gz JDWLLTIRTXHXBL-PNDGHQIGSA-N 2 2 286.763 0.162 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCCCC[N@H+]1CCC[C@H]1CO ZINC001339088700 921649077 /nfs/dbraw/zinc/64/90/77/921649077.db2.gz YVIZFHZZYUEQCU-ZDUSSCGKSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCCCC[N@@H+]1CCC[C@H]1CO ZINC001339088700 921649087 /nfs/dbraw/zinc/64/90/87/921649087.db2.gz YVIZFHZZYUEQCU-ZDUSSCGKSA-N 2 2 280.372 0.305 20 0 CCADLP CO[C@H](C)C[NH2+]C/C=C\CNC(=O)Cc1c[nH+]cn1C ZINC001321336675 911240016 /nfs/dbraw/zinc/24/00/16/911240016.db2.gz LOGXODBVSRUISH-QMAVJUDZSA-N 2 2 280.372 0.260 20 0 CCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001391595366 911251056 /nfs/dbraw/zinc/25/10/56/911251056.db2.gz ZOAOBGCGOUFEQG-CYBMUJFWSA-N 2 2 298.431 0.042 20 0 CCADLP CC(C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001391595366 911251070 /nfs/dbraw/zinc/25/10/70/911251070.db2.gz ZOAOBGCGOUFEQG-CYBMUJFWSA-N 2 2 298.431 0.042 20 0 CCADLP CC(C)NC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001391595366 911251091 /nfs/dbraw/zinc/25/10/91/911251091.db2.gz ZOAOBGCGOUFEQG-CYBMUJFWSA-N 2 2 298.431 0.042 20 0 CCADLP CC(C)NC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001391595366 911251100 /nfs/dbraw/zinc/25/11/00/911251100.db2.gz ZOAOBGCGOUFEQG-CYBMUJFWSA-N 2 2 298.431 0.042 20 0 CCADLP Cc1conc1C[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001391620359 911268251 /nfs/dbraw/zinc/26/82/51/911268251.db2.gz KLXGKEKFJUENAZ-CYBMUJFWSA-N 2 2 294.399 0.967 20 0 CCADLP Cc1conc1C[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001391620359 911268264 /nfs/dbraw/zinc/26/82/64/911268264.db2.gz KLXGKEKFJUENAZ-CYBMUJFWSA-N 2 2 294.399 0.967 20 0 CCADLP Cc1noc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001392054066 911549507 /nfs/dbraw/zinc/54/95/07/911549507.db2.gz WJZOLHSLIPOXJB-CMPLNLGQSA-N 2 2 295.387 0.409 20 0 CCADLP Cc1noc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001392054066 911549525 /nfs/dbraw/zinc/54/95/25/911549525.db2.gz WJZOLHSLIPOXJB-CMPLNLGQSA-N 2 2 295.387 0.409 20 0 CCADLP COC[C@@H](C)[NH2+][C@H](CNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001392244077 911656646 /nfs/dbraw/zinc/65/66/46/911656646.db2.gz QVVBMLCLKKOGAC-VXGBXAGGSA-N 2 2 282.388 0.718 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@H](O)C[NH2+]CC1CCC1 ZINC001392391706 911775746 /nfs/dbraw/zinc/77/57/46/911775746.db2.gz QZSSPDOWFOKUKE-CYBMUJFWSA-N 2 2 280.372 0.140 20 0 CCADLP COCC[N@H+](C)C[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001392699193 912098477 /nfs/dbraw/zinc/09/84/77/912098477.db2.gz DDEVSEDAOKNNNN-OLZOCXBDSA-N 2 2 282.388 0.917 20 0 CCADLP COCC[N@@H+](C)C[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001392699193 912098495 /nfs/dbraw/zinc/09/84/95/912098495.db2.gz DDEVSEDAOKNNNN-OLZOCXBDSA-N 2 2 282.388 0.917 20 0 CCADLP CC[NH2+][C@@H](C)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001398932537 914960644 /nfs/dbraw/zinc/96/06/44/914960644.db2.gz LYTWXLYANOLXTE-GWCFXTLKSA-N 2 2 279.388 0.904 20 0 CCADLP CC[NH2+][C@@H](C)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001398932537 914960669 /nfs/dbraw/zinc/96/06/69/914960669.db2.gz LYTWXLYANOLXTE-GWCFXTLKSA-N 2 2 279.388 0.904 20 0 CCADLP Cc1ccncc1C[NH2+][C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001399028097 915000494 /nfs/dbraw/zinc/00/04/94/915000494.db2.gz LIXNTDIOOLZMKS-LBPRGKRZSA-N 2 2 287.367 0.950 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+]CC[C@@H]1CCCO1 ZINC001399101215 915050408 /nfs/dbraw/zinc/05/04/08/915050408.db2.gz CLHIPYPCNJSKMK-AAEUAGOBSA-N 2 2 294.399 0.924 20 0 CCADLP COC[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001399252193 915093532 /nfs/dbraw/zinc/09/35/32/915093532.db2.gz SFUOIGHZCLDZQZ-AAEUAGOBSA-N 2 2 294.399 0.734 20 0 CCADLP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)Cc1cncs1 ZINC001399569333 915240429 /nfs/dbraw/zinc/24/04/29/915240429.db2.gz OWMOKSMZCLEPLV-GFCCVEGCSA-N 2 2 282.413 0.785 20 0 CCADLP C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)Cc1cncs1 ZINC001399569333 915240444 /nfs/dbraw/zinc/24/04/44/915240444.db2.gz OWMOKSMZCLEPLV-GFCCVEGCSA-N 2 2 282.413 0.785 20 0 CCADLP C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1cncs1 ZINC001399569333 915240455 /nfs/dbraw/zinc/24/04/55/915240455.db2.gz OWMOKSMZCLEPLV-GFCCVEGCSA-N 2 2 282.413 0.785 20 0 CCADLP C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)Cc1cncs1 ZINC001399569333 915240464 /nfs/dbraw/zinc/24/04/64/915240464.db2.gz OWMOKSMZCLEPLV-GFCCVEGCSA-N 2 2 282.413 0.785 20 0 CCADLP Cc1cncc(C[N@H+](C)CCNC(=O)Cn2cc[nH+]c2)c1 ZINC001399656868 915303363 /nfs/dbraw/zinc/30/33/63/915303363.db2.gz SZBRWDPZXCKQMV-UHFFFAOYSA-N 2 2 287.367 0.835 20 0 CCADLP Cc1cncc(C[N@@H+](C)CCNC(=O)Cn2cc[nH+]c2)c1 ZINC001399656868 915303393 /nfs/dbraw/zinc/30/33/93/915303393.db2.gz SZBRWDPZXCKQMV-UHFFFAOYSA-N 2 2 287.367 0.835 20 0 CCADLP C[N@H+](CCO)C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001418017754 921762756 /nfs/dbraw/zinc/76/27/56/921762756.db2.gz DQEDJAPROMIKJB-CYBMUJFWSA-N 2 2 294.399 0.505 20 0 CCADLP C[N@@H+](CCO)C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001418017754 921762772 /nfs/dbraw/zinc/76/27/72/921762772.db2.gz DQEDJAPROMIKJB-CYBMUJFWSA-N 2 2 294.399 0.505 20 0 CCADLP C[N@H+](CCO)C[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001418017754 921762783 /nfs/dbraw/zinc/76/27/83/921762783.db2.gz DQEDJAPROMIKJB-CYBMUJFWSA-N 2 2 294.399 0.505 20 0 CCADLP C[N@@H+](CCO)C[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001418017754 921762796 /nfs/dbraw/zinc/76/27/96/921762796.db2.gz DQEDJAPROMIKJB-CYBMUJFWSA-N 2 2 294.399 0.505 20 0 CCADLP O=C(N1CC(n2cc[nH+]c2)C1)C12CCC[NH+]1CCC2 ZINC001328662993 915340377 /nfs/dbraw/zinc/34/03/77/915340377.db2.gz VIWUAMYTWNDAGN-UHFFFAOYSA-N 2 2 260.341 0.895 20 0 CCADLP CC1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC[NH2+]CC1 ZINC001328721329 915381099 /nfs/dbraw/zinc/38/10/99/915381099.db2.gz JRHKPKHRMCFXMJ-NSHDSACASA-N 2 2 262.357 0.704 20 0 CCADLP CC[N@@H+]1CCC[C@@H](CNc2nc(C)[nH+]c(N)n2)C1 ZINC001329287033 915794531 /nfs/dbraw/zinc/79/45/31/915794531.db2.gz MCYQGYVKOJXTHP-JTQLQIEISA-N 2 2 250.350 0.906 20 0 CCADLP CC[N@H+]1CCC[C@@H](CNc2nc(C)[nH+]c(N)n2)C1 ZINC001329287033 915794542 /nfs/dbraw/zinc/79/45/42/915794542.db2.gz MCYQGYVKOJXTHP-JTQLQIEISA-N 2 2 250.350 0.906 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH+]cn2C)C1 ZINC001400732718 915895588 /nfs/dbraw/zinc/89/55/88/915895588.db2.gz DIUADTLRDBOZGH-GXTWGEPZSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH+]cn2C)C1 ZINC001400732718 915895598 /nfs/dbraw/zinc/89/55/98/915895598.db2.gz DIUADTLRDBOZGH-GXTWGEPZSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@@H](C[NH2+]C[C@@H]1CCOC1)N(C)C(=O)Cc1c[nH+]cn1C ZINC001401260082 916149940 /nfs/dbraw/zinc/14/99/40/916149940.db2.gz WTPCWDNHSYTJBV-STQMWFEESA-N 2 2 294.399 0.436 20 0 CCADLP Cc1nnc(C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)C(C)C)[nH]1 ZINC001401265603 916154434 /nfs/dbraw/zinc/15/44/34/916154434.db2.gz HQCCKSKTTVFOSB-LLVKDONJSA-N 2 2 296.419 0.390 20 0 CCADLP Cc1nnc(C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C(C)C)[nH]1 ZINC001401265603 916154445 /nfs/dbraw/zinc/15/44/45/916154445.db2.gz HQCCKSKTTVFOSB-LLVKDONJSA-N 2 2 296.419 0.390 20 0 CCADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@H]1[NH2+]CCO ZINC001401291735 916166753 /nfs/dbraw/zinc/16/67/53/916166753.db2.gz BTHXOEXCQDUQOI-ZIAGYGMSSA-N 2 2 294.399 0.482 20 0 CCADLP CC(C)(C)[NH2+]CC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC001329805768 916196614 /nfs/dbraw/zinc/19/66/14/916196614.db2.gz XTOYDLBYVAJGIH-JTQLQIEISA-N 2 2 250.346 0.702 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC001329884428 916251061 /nfs/dbraw/zinc/25/10/61/916251061.db2.gz OAKFMZOEDYCELG-MNOVXSKESA-N 2 2 250.346 0.656 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC001329884428 916251082 /nfs/dbraw/zinc/25/10/82/916251082.db2.gz OAKFMZOEDYCELG-MNOVXSKESA-N 2 2 250.346 0.656 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC001329884428 916251102 /nfs/dbraw/zinc/25/11/02/916251102.db2.gz OAKFMZOEDYCELG-MNOVXSKESA-N 2 2 250.346 0.656 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC001329884428 916251123 /nfs/dbraw/zinc/25/11/23/916251123.db2.gz OAKFMZOEDYCELG-MNOVXSKESA-N 2 2 250.346 0.656 20 0 CCADLP CC(C)C[C@@H](C(=O)NC[C@H](O)C[NH2+]C(C)C)n1cc[nH+]c1 ZINC001401535293 916307861 /nfs/dbraw/zinc/30/78/61/916307861.db2.gz DYUSQQRQOSTSHM-KGLIPLIRSA-N 2 2 296.415 0.945 20 0 CCADLP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC001330343516 916563773 /nfs/dbraw/zinc/56/37/73/916563773.db2.gz QTXKTRNTBNZOSJ-OVUXIIJLSA-N 2 2 295.427 0.864 20 0 CCADLP Cn1nccc1C[N@@H+]1CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001401907640 916679037 /nfs/dbraw/zinc/67/90/37/916679037.db2.gz UQQOXUMPNAZCTI-CYBMUJFWSA-N 2 2 293.415 0.452 20 0 CCADLP Cn1nccc1C[N@H+]1CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001401907640 916679048 /nfs/dbraw/zinc/67/90/48/916679048.db2.gz UQQOXUMPNAZCTI-CYBMUJFWSA-N 2 2 293.415 0.452 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@]1(C)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001402191955 916859591 /nfs/dbraw/zinc/85/95/91/916859591.db2.gz XODJRKYEIBVONK-GXTWGEPZSA-N 2 2 280.372 0.092 20 0 CCADLP COCC[N@@H+]1CCC[C@@](C)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001402221799 916878675 /nfs/dbraw/zinc/87/86/75/916878675.db2.gz GSPPPMZYYQLKDY-HNNXBMFYSA-N 2 2 294.399 0.817 20 0 CCADLP COCC[N@H+]1CCC[C@@](C)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001402221799 916878686 /nfs/dbraw/zinc/87/86/86/916878686.db2.gz GSPPPMZYYQLKDY-HNNXBMFYSA-N 2 2 294.399 0.817 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCC[N@H+](CCO)C1 ZINC001402677972 917170908 /nfs/dbraw/zinc/17/09/08/917170908.db2.gz VXIFFRQGVJSIBP-CHWSQXEVSA-N 2 2 294.399 0.409 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCC[N@@H+](CCO)C1 ZINC001402677972 917170914 /nfs/dbraw/zinc/17/09/14/917170914.db2.gz VXIFFRQGVJSIBP-CHWSQXEVSA-N 2 2 294.399 0.409 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCC[N@H+](CCO)C1 ZINC001402677972 917170924 /nfs/dbraw/zinc/17/09/24/917170924.db2.gz VXIFFRQGVJSIBP-CHWSQXEVSA-N 2 2 294.399 0.409 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCC[N@@H+](CCO)C1 ZINC001402677972 917170934 /nfs/dbraw/zinc/17/09/34/917170934.db2.gz VXIFFRQGVJSIBP-CHWSQXEVSA-N 2 2 294.399 0.409 20 0 CCADLP CC(C)[NH2+]CC1(NC(=O)Cn2cc[nH+]c2)CCOCC1 ZINC001402748204 917202587 /nfs/dbraw/zinc/20/25/87/917202587.db2.gz IGUQGCJBFZNXLB-UHFFFAOYSA-N 2 2 280.372 0.547 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CCC(C[NH3+])CC1 ZINC001331422040 917319844 /nfs/dbraw/zinc/31/98/44/917319844.db2.gz QOXBTIBKOWJJJJ-UHFFFAOYSA-N 2 2 251.334 0.300 20 0 CCADLP O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001331466617 917351000 /nfs/dbraw/zinc/35/10/00/917351000.db2.gz QLNZZGLEJHNZAG-NWDGAFQWSA-N 2 2 262.357 0.561 20 0 CCADLP Cc1noc([C@@H]2OCC[C@@H]2[NH2+]CCn2cc[nH+]c2)n1 ZINC001331675131 917502896 /nfs/dbraw/zinc/50/28/96/917502896.db2.gz YMTUIZCUWNUJIS-WDEREUQCSA-N 2 2 263.301 0.694 20 0 CCADLP CC(C)OCC[N@H+](C)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001403198828 917574584 /nfs/dbraw/zinc/57/45/84/917574584.db2.gz QMYQVVKSQUERSY-GFCCVEGCSA-N 2 2 282.388 0.814 20 0 CCADLP CC(C)OCC[N@@H+](C)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001403198828 917574598 /nfs/dbraw/zinc/57/45/98/917574598.db2.gz QMYQVVKSQUERSY-GFCCVEGCSA-N 2 2 282.388 0.814 20 0 CCADLP COCC[NH2+][C@H](CO)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001331760866 917583060 /nfs/dbraw/zinc/58/30/60/917583060.db2.gz WYFDIBMPBCRYLV-ZDUSSCGKSA-N 2 2 295.383 0.334 20 0 CCADLP COC[C@@H](C)[NH+]1CC([C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001403357747 917673742 /nfs/dbraw/zinc/67/37/42/917673742.db2.gz VCMIBPBIONATCI-NEPJUHHUSA-N 2 2 280.372 0.355 20 0 CCADLP C[C@H](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CCF ZINC001403400406 917696244 /nfs/dbraw/zinc/69/62/44/917696244.db2.gz HQAVVPZTWVYYPG-NEPJUHHUSA-N 2 2 282.363 0.899 20 0 CCADLP COCCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001331927743 917724378 /nfs/dbraw/zinc/72/43/78/917724378.db2.gz FJSPMKQDKKOWJX-QWHCGFSZSA-N 2 2 294.399 0.876 20 0 CCADLP CCOCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCn2cc[nH+]c2)C1 ZINC001332016538 917803116 /nfs/dbraw/zinc/80/31/16/917803116.db2.gz VALBJDBEBZHXFI-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP CCOCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001332034167 917814251 /nfs/dbraw/zinc/81/42/51/917814251.db2.gz ZUFDWJSBWMQTHF-OLZOCXBDSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H](C)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001403574229 917825934 /nfs/dbraw/zinc/82/59/34/917825934.db2.gz BRLXBQYWEWLNQD-QWHCGFSZSA-N 2 2 282.388 0.745 20 0 CCADLP COC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001403627454 917860992 /nfs/dbraw/zinc/86/09/92/917860992.db2.gz YZCCNNAPOWBSLU-OLZOCXBDSA-N 2 2 294.399 0.528 20 0 CCADLP COC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001403627454 917861002 /nfs/dbraw/zinc/86/10/02/917861002.db2.gz YZCCNNAPOWBSLU-OLZOCXBDSA-N 2 2 294.399 0.528 20 0 CCADLP CC[C@@H](F)C[N@H+](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001403720734 917965989 /nfs/dbraw/zinc/96/59/89/917965989.db2.gz PGEQMSYOXVMIKG-CYBMUJFWSA-N 2 2 289.395 0.505 20 0 CCADLP CC[C@@H](F)C[N@@H+](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001403720734 917965997 /nfs/dbraw/zinc/96/59/97/917965997.db2.gz PGEQMSYOXVMIKG-CYBMUJFWSA-N 2 2 289.395 0.505 20 0 CCADLP CC(C)C[NH2+]C[C@@H](O)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001403864520 918074644 /nfs/dbraw/zinc/07/46/44/918074644.db2.gz BSUHVWBBHGELEE-ZIAGYGMSSA-N 2 2 296.415 0.899 20 0 CCADLP C[C@@H](CC(=O)N(C)C1CC([NH2+]CCO)C1)n1cc[nH+]c1 ZINC001404022966 918171022 /nfs/dbraw/zinc/17/10/22/918171022.db2.gz JPIRBUYFBXTEFY-HIFPTAJRSA-N 2 2 280.372 0.406 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC001332514629 918239365 /nfs/dbraw/zinc/23/93/65/918239365.db2.gz AIOQPXFIOISCNB-JHJVBQTASA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC001332514629 918239379 /nfs/dbraw/zinc/23/93/79/918239379.db2.gz AIOQPXFIOISCNB-JHJVBQTASA-N 2 2 269.389 0.341 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC1C[NH+](C[C@@H]2CCOC2)C1 ZINC001404811131 918479461 /nfs/dbraw/zinc/47/94/61/918479461.db2.gz SJEAVZHABCQHPH-LBPRGKRZSA-N 2 2 278.356 0.110 20 0 CCADLP CC[C@@H](C)C[NH+]1CC(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001404810586 918479777 /nfs/dbraw/zinc/47/97/77/918479777.db2.gz LDPWZFZOTKJGFD-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H](O)CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001404985115 918545774 /nfs/dbraw/zinc/54/57/74/918545774.db2.gz LQOFOOWZFQBORV-RDBSUJKOSA-N 2 2 292.383 0.329 20 0 CCADLP C[C@@H](O)CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001404985115 918545794 /nfs/dbraw/zinc/54/57/94/918545794.db2.gz LQOFOOWZFQBORV-RDBSUJKOSA-N 2 2 292.383 0.329 20 0 CCADLP CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001405093486 918593255 /nfs/dbraw/zinc/59/32/55/918593255.db2.gz LMVZVKAFYCFVLS-CHWSQXEVSA-N 2 2 298.431 0.043 20 0 CCADLP CC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001405093486 918593268 /nfs/dbraw/zinc/59/32/68/918593268.db2.gz LMVZVKAFYCFVLS-CHWSQXEVSA-N 2 2 298.431 0.043 20 0 CCADLP CC[C@H](CNC(=O)Cn1c[nH+]cc1C)[NH2+]Cc1cnon1 ZINC001405276727 918702360 /nfs/dbraw/zinc/70/23/60/918702360.db2.gz RDMDCAVBTYTHEJ-LLVKDONJSA-N 2 2 292.343 0.259 20 0 CCADLP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1cnsn1 ZINC001405364889 918743767 /nfs/dbraw/zinc/74/37/67/918743767.db2.gz IFORLIOVHGBXBP-NSHDSACASA-N 2 2 299.444 0.863 20 0 CCADLP CC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+]Cc1cnsn1 ZINC001405364889 918743781 /nfs/dbraw/zinc/74/37/81/918743781.db2.gz IFORLIOVHGBXBP-NSHDSACASA-N 2 2 299.444 0.863 20 0 CCADLP C/C(=C\C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1)C[NH+]1CCOCC1 ZINC001333318332 918796021 /nfs/dbraw/zinc/79/60/21/918796021.db2.gz ZMDRLGBGXZFEIL-UXHADMKASA-N 2 2 293.411 0.427 20 0 CCADLP C/C(=C\C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1)C[NH+]1CCOCC1 ZINC001333318332 918796035 /nfs/dbraw/zinc/79/60/35/918796035.db2.gz ZMDRLGBGXZFEIL-UXHADMKASA-N 2 2 293.411 0.427 20 0 CCADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC001333338452 918818095 /nfs/dbraw/zinc/81/80/95/918818095.db2.gz ZAWMVJSWAYRHDE-SZRIJTSKSA-N 2 2 281.400 0.235 20 0 CCADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC001333338452 918818105 /nfs/dbraw/zinc/81/81/05/918818105.db2.gz ZAWMVJSWAYRHDE-SZRIJTSKSA-N 2 2 281.400 0.235 20 0 CCADLP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1nnc(C)o1)[NH+](C)C ZINC001405823412 918931673 /nfs/dbraw/zinc/93/16/73/918931673.db2.gz AGNWXSUULBGMEX-ZYHUDNBSSA-N 2 2 297.403 0.655 20 0 CCADLP C[C@H]1CCC[N@@H+]1CC[NH2+]C1CCN(C(N)=O)CC1 ZINC001333480526 918940488 /nfs/dbraw/zinc/94/04/88/918940488.db2.gz VDFUMIKFDVTDRL-NSHDSACASA-N 2 2 254.378 0.603 20 0 CCADLP C[C@H]1CCC[N@H+]1CC[NH2+]C1CCN(C(N)=O)CC1 ZINC001333480526 918940498 /nfs/dbraw/zinc/94/04/98/918940498.db2.gz VDFUMIKFDVTDRL-NSHDSACASA-N 2 2 254.378 0.603 20 0 CCADLP CC(C)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001406250756 919136403 /nfs/dbraw/zinc/13/64/03/919136403.db2.gz UROTVYWIYQLBIJ-IJLUTSLNSA-N 2 2 280.372 0.236 20 0 CCADLP CC(C)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001406250756 919136415 /nfs/dbraw/zinc/13/64/15/919136415.db2.gz UROTVYWIYQLBIJ-IJLUTSLNSA-N 2 2 280.372 0.236 20 0 CCADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cn(C)nn1 ZINC001334040107 919338102 /nfs/dbraw/zinc/33/81/02/919338102.db2.gz OBIDMZUIVRLSFF-RYUDHWBXSA-N 2 2 266.393 0.102 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC1([NH2+]C[C@@H]2CCOC2)CC1 ZINC001406984074 919566194 /nfs/dbraw/zinc/56/61/94/919566194.db2.gz BIVYTEHTDAQQOE-LBPRGKRZSA-N 2 2 292.383 0.238 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC1([NH2+]Cc2ccon2)CC1 ZINC001406997088 919570452 /nfs/dbraw/zinc/57/04/52/919570452.db2.gz KKALIARTSAZZLE-UHFFFAOYSA-N 2 2 280.372 0.755 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC1([NH2+]Cc2ccon2)CC1 ZINC001406997088 919570463 /nfs/dbraw/zinc/57/04/63/919570463.db2.gz KKALIARTSAZZLE-UHFFFAOYSA-N 2 2 280.372 0.755 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@]1(C)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001407259926 919678560 /nfs/dbraw/zinc/67/85/60/919678560.db2.gz NWVXTIRYCCOUOD-ZFWWWQNUSA-N 2 2 294.399 0.746 20 0 CCADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H]1CCO[C@]13CCOC3)CC2 ZINC001335255519 920066771 /nfs/dbraw/zinc/06/67/71/920066771.db2.gz MPDPKDRWXHOBHW-DYEKYZERSA-N 2 2 263.341 0.736 20 0 CCADLP C[C@H](C[NH2+]C[C@H](O)C1(O)CCCC1)Cn1cc[nH+]c1 ZINC001335349945 920138733 /nfs/dbraw/zinc/13/87/33/920138733.db2.gz AOJBHOVBRGVNEF-OLZOCXBDSA-N 2 2 267.373 0.775 20 0 CCADLP NC(=O)OCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001336021148 920570546 /nfs/dbraw/zinc/57/05/46/920570546.db2.gz XEDYCBTUZATZHD-OAHLLOKOSA-N 2 2 293.367 0.722 20 0 CCADLP NC(=O)OCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001336021148 920570557 /nfs/dbraw/zinc/57/05/57/920570557.db2.gz XEDYCBTUZATZHD-OAHLLOKOSA-N 2 2 293.367 0.722 20 0 CCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001418116957 921840781 /nfs/dbraw/zinc/84/07/81/921840781.db2.gz OMCRFZRXQRZHAS-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001418116957 921840795 /nfs/dbraw/zinc/84/07/95/921840795.db2.gz OMCRFZRXQRZHAS-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP C[C@@H](C(=O)N1CCC[C@H]1C[NH+](C)C)n1cc[nH+]c1 ZINC001340235165 922021810 /nfs/dbraw/zinc/02/18/10/922021810.db2.gz ANSCSOYGOCVFQC-RYUDHWBXSA-N 2 2 250.346 0.997 20 0 CCADLP Cc1nc(C)c(C[NH2+][C@H](C)CNC(=O)Cn2cc[nH+]c2)o1 ZINC001418318431 922022741 /nfs/dbraw/zinc/02/27/41/922022741.db2.gz BSBBMOYTYUJDCI-SNVBAGLBSA-N 2 2 291.355 0.782 20 0 CCADLP O=C(NCCC[NH2+]C1CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001340403868 922078826 /nfs/dbraw/zinc/07/88/26/922078826.db2.gz DJFOKFHQXGBRAD-NSHDSACASA-N 2 2 262.357 0.704 20 0 CCADLP CC[C@H](C(=O)N(C)CC[NH3+])[N@@H+]1CCO[C@@H](CC)C1 ZINC001340473071 922095188 /nfs/dbraw/zinc/09/51/88/922095188.db2.gz WGCSKSKUZMTURB-NWDGAFQWSA-N 2 2 257.378 0.293 20 0 CCADLP CC[C@H](C(=O)N(C)CC[NH3+])[N@H+]1CCO[C@@H](CC)C1 ZINC001340473071 922095203 /nfs/dbraw/zinc/09/52/03/922095203.db2.gz WGCSKSKUZMTURB-NWDGAFQWSA-N 2 2 257.378 0.293 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[C@@H]1CSCC[NH2+]1 ZINC001340525287 922107117 /nfs/dbraw/zinc/10/71/17/922107117.db2.gz GKGKOGZYBRTRBL-SECBINFHSA-N 2 2 254.359 0.164 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC001340921187 922277620 /nfs/dbraw/zinc/27/76/20/922277620.db2.gz FSVKRVLOMOICQU-JTNHKYCSSA-N 2 2 262.357 0.721 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC[NH2+]1 ZINC001340923692 922280689 /nfs/dbraw/zinc/28/06/89/922280689.db2.gz SWFYQUCKGYKHTL-WOPDTQHZSA-N 2 2 262.357 0.702 20 0 CCADLP Cn1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)CC[NH+](C)C)n1 ZINC001418606897 922299451 /nfs/dbraw/zinc/29/94/51/922299451.db2.gz BMVRCMIFIOQFNH-CQSZACIVSA-N 2 2 293.415 0.452 20 0 CCADLP Cn1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)CC[NH+](C)C)n1 ZINC001418606897 922299466 /nfs/dbraw/zinc/29/94/66/922299466.db2.gz BMVRCMIFIOQFNH-CQSZACIVSA-N 2 2 293.415 0.452 20 0 CCADLP CCO[C@@H](CNC(=O)C[C@@H]([NH3+])C(F)F)C[NH+](C)C ZINC001341059792 922332436 /nfs/dbraw/zinc/33/24/36/922332436.db2.gz ZVGTTYROCZXPRD-DTWKUNHWSA-N 2 2 267.320 0.052 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001418696129 922367448 /nfs/dbraw/zinc/36/74/48/922367448.db2.gz ZIIRQUJUXFVCQV-VXGBXAGGSA-N 2 2 280.372 0.425 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001418696129 922367454 /nfs/dbraw/zinc/36/74/54/922367454.db2.gz ZIIRQUJUXFVCQV-VXGBXAGGSA-N 2 2 280.372 0.425 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC001341468561 922501347 /nfs/dbraw/zinc/50/13/47/922501347.db2.gz YHQAJDWSQXVDJU-GXSJLCMTSA-N 2 2 250.346 0.703 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC001341468561 922501363 /nfs/dbraw/zinc/50/13/63/922501363.db2.gz YHQAJDWSQXVDJU-GXSJLCMTSA-N 2 2 250.346 0.703 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC001341763575 922660897 /nfs/dbraw/zinc/66/08/97/922660897.db2.gz FOASGACBSMVTRB-ZWNOBZJWSA-N 2 2 250.346 0.786 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC001341763575 922660915 /nfs/dbraw/zinc/66/09/15/922660915.db2.gz FOASGACBSMVTRB-ZWNOBZJWSA-N 2 2 250.346 0.786 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC001341763573 922662593 /nfs/dbraw/zinc/66/25/93/922662593.db2.gz FOASGACBSMVTRB-GXFFZTMASA-N 2 2 250.346 0.786 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC001341763573 922662604 /nfs/dbraw/zinc/66/26/04/922662604.db2.gz FOASGACBSMVTRB-GXFFZTMASA-N 2 2 250.346 0.786 20 0 CCADLP O=C(NC[C@@H]([NH2+]CCF)C1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001419273270 922747324 /nfs/dbraw/zinc/74/73/24/922747324.db2.gz KCUVXRYMEKOYRC-TZMCWYRMSA-N 2 2 294.374 0.899 20 0 CCADLP [NH3+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001341980283 922751451 /nfs/dbraw/zinc/75/14/51/922751451.db2.gz FKFIHESUTPIPHO-SDDRHHMPSA-N 2 2 262.357 0.689 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@](C)(C[NH2+]CC2CC2)C2CC2)C1 ZINC001419328363 922770997 /nfs/dbraw/zinc/77/09/97/922770997.db2.gz AFNRYOGONIZGNN-GOEBONIOSA-N 2 2 295.427 0.602 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N[C@](C)(C[NH2+]CC2CC2)C2CC2)C1 ZINC001419328363 922771019 /nfs/dbraw/zinc/77/10/19/922771019.db2.gz AFNRYOGONIZGNN-GOEBONIOSA-N 2 2 295.427 0.602 20 0 CCADLP Cc1noc(C[NH2+]C[C@H]2CCCN2C(=O)CC[NH+](C)C)n1 ZINC001419422469 922820002 /nfs/dbraw/zinc/82/00/02/922820002.db2.gz HKLQYFGZBLTUNB-GFCCVEGCSA-N 2 2 295.387 0.410 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]([NH3+])C1CCC1 ZINC001342195476 922858257 /nfs/dbraw/zinc/85/82/57/922858257.db2.gz FAEJJRWTMXKZNW-YPMHNXCESA-N 2 2 269.389 0.293 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001419517324 922892872 /nfs/dbraw/zinc/89/28/72/922892872.db2.gz SAAOBDGTZZXYRC-RWMBFGLXSA-N 2 2 294.399 0.624 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](CCO)C1 ZINC001419627095 922955149 /nfs/dbraw/zinc/95/51/49/922955149.db2.gz OHPTUELPUICTBY-AAEUAGOBSA-N 2 2 294.399 0.470 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CCO)C1 ZINC001419627095 922955162 /nfs/dbraw/zinc/95/51/62/922955162.db2.gz OHPTUELPUICTBY-AAEUAGOBSA-N 2 2 294.399 0.470 20 0 CCADLP [NH3+]CC[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001342723149 923070644 /nfs/dbraw/zinc/07/06/44/923070644.db2.gz MEAOFPIOUXTVDS-RYUDHWBXSA-N 2 2 262.357 0.643 20 0 CCADLP [NH3+]CC[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001342723147 923071504 /nfs/dbraw/zinc/07/15/04/923071504.db2.gz MEAOFPIOUXTVDS-NWDGAFQWSA-N 2 2 262.357 0.643 20 0 CCADLP O=C(N[C@H]1C[NH2+]CC12CC2)[C@H]1CCc2c[nH+]cn2C1 ZINC001342851681 923111047 /nfs/dbraw/zinc/11/10/47/923111047.db2.gz GKKLDXMHYFNSCI-JQWIXIFHSA-N 2 2 260.341 0.314 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC001419909687 923158993 /nfs/dbraw/zinc/15/89/93/923158993.db2.gz KMMFDUPPTLBZLH-QWRGUYRKSA-N 2 2 296.419 0.610 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC001419909687 923158999 /nfs/dbraw/zinc/15/89/99/923158999.db2.gz KMMFDUPPTLBZLH-QWRGUYRKSA-N 2 2 296.419 0.610 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1cccnc1 ZINC001419912639 923163077 /nfs/dbraw/zinc/16/30/77/923163077.db2.gz WZPPSTDQVJQALV-LBPRGKRZSA-N 2 2 287.367 0.652 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C(C)C)[nH]1 ZINC001419942526 923175607 /nfs/dbraw/zinc/17/56/07/923175607.db2.gz XOSXOABEDXTHCF-SNVBAGLBSA-N 2 2 282.392 0.048 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)CNC(=O)C[N@@H+](C)C(C)C)[nH]1 ZINC001419942526 923175619 /nfs/dbraw/zinc/17/56/19/923175619.db2.gz XOSXOABEDXTHCF-SNVBAGLBSA-N 2 2 282.392 0.048 20 0 CCADLP C[NH2+]CCCCC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001343556940 923372523 /nfs/dbraw/zinc/37/25/23/923372523.db2.gz HCEMHKVITKFFAB-UHFFFAOYSA-N 2 2 291.399 0.823 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH+](C)Cc1cnc(C)o1 ZINC001420343039 923558723 /nfs/dbraw/zinc/55/87/23/923558723.db2.gz SEDFJYRBZRXIFE-UHFFFAOYSA-N 2 2 282.388 0.873 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH+](C)Cc1cnc(C)o1 ZINC001420343039 923558734 /nfs/dbraw/zinc/55/87/34/923558734.db2.gz SEDFJYRBZRXIFE-UHFFFAOYSA-N 2 2 282.388 0.873 20 0 CCADLP CCC[NH+](C)CC(=O)NCC[N@H+](C)Cc1cnc(C)o1 ZINC001420343039 923558741 /nfs/dbraw/zinc/55/87/41/923558741.db2.gz SEDFJYRBZRXIFE-UHFFFAOYSA-N 2 2 282.388 0.873 20 0 CCADLP CCC[NH+](C)CC(=O)NCC[N@@H+](C)Cc1cnc(C)o1 ZINC001420343039 923558752 /nfs/dbraw/zinc/55/87/52/923558752.db2.gz SEDFJYRBZRXIFE-UHFFFAOYSA-N 2 2 282.388 0.873 20 0 CCADLP C[N@H+](CCNC(=O)C[NH+]1CCCC1)Cc1cncc(F)c1 ZINC001420341950 923559161 /nfs/dbraw/zinc/55/91/61/923559161.db2.gz DZDXLCUYNLLNIU-UHFFFAOYSA-N 2 2 294.374 0.865 20 0 CCADLP C[N@@H+](CCNC(=O)C[NH+]1CCCC1)Cc1cncc(F)c1 ZINC001420341950 923559168 /nfs/dbraw/zinc/55/91/68/923559168.db2.gz DZDXLCUYNLLNIU-UHFFFAOYSA-N 2 2 294.374 0.865 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@H+](C)CC(N)=O)[NH+]1CCCCC1 ZINC001420358270 923578240 /nfs/dbraw/zinc/57/82/40/923578240.db2.gz NFBYIEYMSTXRMQ-CQSZACIVSA-N 2 2 298.431 0.030 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@@H+](C)CC(N)=O)[NH+]1CCCCC1 ZINC001420358270 923578249 /nfs/dbraw/zinc/57/82/49/923578249.db2.gz NFBYIEYMSTXRMQ-CQSZACIVSA-N 2 2 298.431 0.030 20 0 CCADLP Cc1noc(C[NH2+]C[C@@H](C)NC(=O)C[NH+]2CCCC2)n1 ZINC001420372001 923590861 /nfs/dbraw/zinc/59/08/61/923590861.db2.gz SULMSTIPOMQUIX-SNVBAGLBSA-N 2 2 281.360 0.068 20 0 CCADLP C[C@H](C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C)n1cc[nH+]c1 ZINC001344651835 923661967 /nfs/dbraw/zinc/66/19/67/923661967.db2.gz KUFJZMYRCIERML-IJLUTSLNSA-N 2 2 250.346 0.806 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnns1)NC(=O)CCn1cc[nH+]c1 ZINC001420448318 923674174 /nfs/dbraw/zinc/67/41/74/923674174.db2.gz RWLHIXNOXNXLLZ-JTQLQIEISA-N 2 2 294.384 0.419 20 0 CCADLP Cc1cncc(C[NH2+]C[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001420477089 923701868 /nfs/dbraw/zinc/70/18/68/923701868.db2.gz AWIHRKFLHAKJGL-LBPRGKRZSA-N 2 2 287.367 0.950 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC[C@@H]1CC[N@@H+](CCCO)C1 ZINC001420859010 923988558 /nfs/dbraw/zinc/98/85/58/923988558.db2.gz NDEGRCMTSXKIHP-CYBMUJFWSA-N 2 2 294.399 0.553 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC[C@@H]1CC[N@H+](CCCO)C1 ZINC001420859010 923988571 /nfs/dbraw/zinc/98/85/71/923988571.db2.gz NDEGRCMTSXKIHP-CYBMUJFWSA-N 2 2 294.399 0.553 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC[C@@H]1CC[N@@H+](CCCO)C1 ZINC001420859010 923988577 /nfs/dbraw/zinc/98/85/77/923988577.db2.gz NDEGRCMTSXKIHP-CYBMUJFWSA-N 2 2 294.399 0.553 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC[C@@H]1CC[N@H+](CCCO)C1 ZINC001420859010 923988586 /nfs/dbraw/zinc/98/85/86/923988586.db2.gz NDEGRCMTSXKIHP-CYBMUJFWSA-N 2 2 294.399 0.553 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)NCCCn1cc[nH+]c1)C2 ZINC001346149512 924085953 /nfs/dbraw/zinc/08/59/53/924085953.db2.gz AWOGYQSMUDTWMI-XQQFMLRXSA-N 2 2 277.372 0.794 20 0 CCADLP Cc1c[nH]c(=O)c(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC001346162997 924092600 /nfs/dbraw/zinc/09/26/00/924092600.db2.gz PAVVSOKPNTYEQE-ZDUSSCGKSA-N 2 2 265.357 0.640 20 0 CCADLP Cc1c[nH]c(=O)c(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)c1 ZINC001346162997 924092610 /nfs/dbraw/zinc/09/26/10/924092610.db2.gz PAVVSOKPNTYEQE-ZDUSSCGKSA-N 2 2 265.357 0.640 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001346228257 924121653 /nfs/dbraw/zinc/12/16/53/924121653.db2.gz GZTDYBBRZDMUHZ-LLVKDONJSA-N 2 2 262.357 0.706 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC001346228257 924121663 /nfs/dbraw/zinc/12/16/63/924121663.db2.gz GZTDYBBRZDMUHZ-LLVKDONJSA-N 2 2 262.357 0.706 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001421097531 924148626 /nfs/dbraw/zinc/14/86/26/924148626.db2.gz IOFBRAFKCDOYTH-HIFRSBDPSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@H]([NH3+])CC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001346526671 924250978 /nfs/dbraw/zinc/25/09/78/924250978.db2.gz MFKRKUILVCBZBD-JTQLQIEISA-N 2 2 250.346 0.863 20 0 CCADLP COCCn1cc(C[NH2+]CC2([NH3+])CCOCC2)cn1 ZINC001348436976 924687159 /nfs/dbraw/zinc/68/71/59/924687159.db2.gz RQAPFLDCQIUOES-UHFFFAOYSA-N 2 2 268.361 0.127 20 0 CCADLP C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001349585997 924996103 /nfs/dbraw/zinc/99/61/03/924996103.db2.gz SEZWZFZSQZPWJL-VXGBXAGGSA-N 2 2 262.357 0.971 20 0 CCADLP C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001349585997 924996109 /nfs/dbraw/zinc/99/61/09/924996109.db2.gz SEZWZFZSQZPWJL-VXGBXAGGSA-N 2 2 262.357 0.971 20 0 CCADLP C[N@H+](CCCF)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC001349958521 925106166 /nfs/dbraw/zinc/10/61/66/925106166.db2.gz NEBQSHPLPKLMBS-UHFFFAOYSA-N 2 2 286.351 0.252 20 0 CCADLP C[N@@H+](CCCF)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC001349958521 925106169 /nfs/dbraw/zinc/10/61/69/925106169.db2.gz NEBQSHPLPKLMBS-UHFFFAOYSA-N 2 2 286.351 0.252 20 0 CCADLP C[C@@H]([NH3+])CN(C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001351539831 925433202 /nfs/dbraw/zinc/43/32/02/925433202.db2.gz RCWHJKXCGGGATG-NXEZZACHSA-N 2 2 251.334 0.187 20 0 CCADLP CC/C=C/CNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001353405667 925824699 /nfs/dbraw/zinc/82/46/99/925824699.db2.gz KLXZWCZBIYIISA-ONEGZZNKSA-N 2 2 254.378 0.675 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[NH2+]1 ZINC001353634952 925891430 /nfs/dbraw/zinc/89/14/30/925891430.db2.gz VIMJPTGYGUXETD-NNYUYHANSA-N 2 2 262.357 0.780 20 0 CCADLP CCCCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001356545522 926398066 /nfs/dbraw/zinc/39/80/66/926398066.db2.gz XKURXOYDDMGKEX-UHFFFAOYSA-N 2 2 256.394 0.899 20 0 CCADLP C[NH2+]CCC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001357446090 926535066 /nfs/dbraw/zinc/53/50/66/926535066.db2.gz ONFZCZUOGBMQTG-UHFFFAOYSA-N 2 2 250.346 0.800 20 0 CCADLP Cc1[nH]ccc1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001358110875 926640280 /nfs/dbraw/zinc/64/02/80/926640280.db2.gz BDMCINIYOQYXGP-UHFFFAOYSA-N 2 2 250.346 0.476 20 0 CCADLP CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001421364254 926699637 /nfs/dbraw/zinc/69/96/37/926699637.db2.gz SHVVECQVRLGVIH-WFASDCNBSA-N 2 2 292.383 0.018 20 0 CCADLP CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001421364254 926699642 /nfs/dbraw/zinc/69/96/42/926699642.db2.gz SHVVECQVRLGVIH-WFASDCNBSA-N 2 2 292.383 0.018 20 0 CCADLP COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC001421915589 926992576 /nfs/dbraw/zinc/99/25/76/926992576.db2.gz JOFSDGNSVFIAIU-LBPRGKRZSA-N 2 2 294.355 0.027 20 0 CCADLP COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC001421915589 926992582 /nfs/dbraw/zinc/99/25/82/926992582.db2.gz JOFSDGNSVFIAIU-LBPRGKRZSA-N 2 2 294.355 0.027 20 0 CCADLP CC(C)[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCO ZINC001422106494 927079113 /nfs/dbraw/zinc/07/91/13/927079113.db2.gz JHBFLYLJJQLWGY-CQSZACIVSA-N 2 2 290.367 0.899 20 0 CCADLP COC[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001422515046 927340358 /nfs/dbraw/zinc/34/03/58/927340358.db2.gz GOUBKPZPBFDZPM-NWDGAFQWSA-N 2 2 282.388 0.814 20 0 CCADLP COC[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001422515046 927340368 /nfs/dbraw/zinc/34/03/68/927340368.db2.gz GOUBKPZPBFDZPM-NWDGAFQWSA-N 2 2 282.388 0.814 20 0 CCADLP COC[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001422515046 927340381 /nfs/dbraw/zinc/34/03/81/927340381.db2.gz GOUBKPZPBFDZPM-NWDGAFQWSA-N 2 2 282.388 0.814 20 0 CCADLP COC[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001422515046 927340394 /nfs/dbraw/zinc/34/03/94/927340394.db2.gz GOUBKPZPBFDZPM-NWDGAFQWSA-N 2 2 282.388 0.814 20 0 CCADLP C[C@H](C[NH2+]Cc1nncs1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001422535016 927355341 /nfs/dbraw/zinc/35/53/41/927355341.db2.gz JRHHEBUGMHDDAE-NXEZZACHSA-N 2 2 283.401 0.227 20 0 CCADLP C[C@H](C[NH2+]Cc1nncs1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001422535016 927355353 /nfs/dbraw/zinc/35/53/53/927355353.db2.gz JRHHEBUGMHDDAE-NXEZZACHSA-N 2 2 283.401 0.227 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@H+](C)C[C@@H]1CCCCO1 ZINC001422558555 927368553 /nfs/dbraw/zinc/36/85/53/927368553.db2.gz JVRRZCHAPPQGSO-OCCSQVGLSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@@H+](C)C[C@@H]1CCCCO1 ZINC001422558555 927368567 /nfs/dbraw/zinc/36/85/67/927368567.db2.gz JVRRZCHAPPQGSO-OCCSQVGLSA-N 2 2 294.399 0.958 20 0 CCADLP CCC[NH2+][C@H](C)[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001422846125 927550792 /nfs/dbraw/zinc/55/07/92/927550792.db2.gz CNJFAWNZLHFLJJ-TZMCWYRMSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ncccn1 ZINC001423042403 927640503 /nfs/dbraw/zinc/64/05/03/927640503.db2.gz FATSKXIUSTWICG-OLZOCXBDSA-N 2 2 291.399 0.507 20 0 CCADLP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ncccn1 ZINC001423042403 927640513 /nfs/dbraw/zinc/64/05/13/927640513.db2.gz FATSKXIUSTWICG-OLZOCXBDSA-N 2 2 291.399 0.507 20 0 CCADLP CN(C[C@H](O)C[N@H+](C)CC1CC1)C(=O)CCn1cc[nH+]c1 ZINC001423510470 927902270 /nfs/dbraw/zinc/90/22/70/927902270.db2.gz DLULXSKZQYKPKE-CQSZACIVSA-N 2 2 294.399 0.434 20 0 CCADLP CN(C[C@H](O)C[N@@H+](C)CC1CC1)C(=O)CCn1cc[nH+]c1 ZINC001423510470 927902282 /nfs/dbraw/zinc/90/22/82/927902282.db2.gz DLULXSKZQYKPKE-CQSZACIVSA-N 2 2 294.399 0.434 20 0 CCADLP COC[C@H](C)[NH+]1CCC(C)(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001423513107 927903773 /nfs/dbraw/zinc/90/37/73/927903773.db2.gz CHFHIRACTGDECI-LBPRGKRZSA-N 2 2 294.399 0.958 20 0 CCADLP CCC[N@H+](C)CCN(C(=O)[C@@H]1C[NH+](C)CCO1)C(C)C ZINC001423561860 927922013 /nfs/dbraw/zinc/92/20/13/927922013.db2.gz WTSWJFIGHVXUOK-AWEZNQCLSA-N 2 2 285.432 0.896 20 0 CCADLP CCC[N@@H+](C)CCN(C(=O)[C@@H]1C[NH+](C)CCO1)C(C)C ZINC001423561860 927922021 /nfs/dbraw/zinc/92/20/21/927922021.db2.gz WTSWJFIGHVXUOK-AWEZNQCLSA-N 2 2 285.432 0.896 20 0 CCADLP CCC[NH+](C)CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC001423561860 927922033 /nfs/dbraw/zinc/92/20/33/927922033.db2.gz WTSWJFIGHVXUOK-AWEZNQCLSA-N 2 2 285.432 0.896 20 0 CCADLP CCC[NH+](C)CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC001423561860 927922042 /nfs/dbraw/zinc/92/20/42/927922042.db2.gz WTSWJFIGHVXUOK-AWEZNQCLSA-N 2 2 285.432 0.896 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@](C)(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001423599825 927939266 /nfs/dbraw/zinc/93/92/66/927939266.db2.gz SSGJOCYVGVDZHE-HIFRSBDPSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@](C)(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001423599825 927939275 /nfs/dbraw/zinc/93/92/75/927939275.db2.gz SSGJOCYVGVDZHE-HIFRSBDPSA-N 2 2 294.399 0.625 20 0 CCADLP COC[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001425047385 928415025 /nfs/dbraw/zinc/41/50/25/928415025.db2.gz DPGCPJKZDKNZIU-CHWSQXEVSA-N 2 2 296.415 0.824 20 0 CCADLP COC[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001425047385 928415033 /nfs/dbraw/zinc/41/50/33/928415033.db2.gz DPGCPJKZDKNZIU-CHWSQXEVSA-N 2 2 296.415 0.824 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC001362728987 928416743 /nfs/dbraw/zinc/41/67/43/928416743.db2.gz NBWHZXNLVADBKZ-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC001362728987 928416746 /nfs/dbraw/zinc/41/67/46/928416746.db2.gz NBWHZXNLVADBKZ-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CCO1 ZINC001425364342 928525949 /nfs/dbraw/zinc/52/59/49/928525949.db2.gz CACOJXDPSZKYGB-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP CNc1ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)nc1 ZINC001362941062 928679961 /nfs/dbraw/zinc/67/99/61/928679961.db2.gz XSMNJOBNFKDXRW-UHFFFAOYSA-N 2 2 293.415 0.737 20 0 CCADLP CNc1ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)nc1 ZINC001362941062 928679972 /nfs/dbraw/zinc/67/99/72/928679972.db2.gz XSMNJOBNFKDXRW-UHFFFAOYSA-N 2 2 293.415 0.737 20 0 CCADLP CC[C@H](F)C[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001426046808 928737594 /nfs/dbraw/zinc/73/75/94/928737594.db2.gz BWROMVDCSSYMCD-NWDGAFQWSA-N 2 2 286.351 0.040 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1C[NH+]2CCC1CC2 ZINC001363026584 928774673 /nfs/dbraw/zinc/77/46/73/928774673.db2.gz CWSHDKQUIKYURQ-ZDUSSCGKSA-N 2 2 276.384 0.811 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)COCC(F)(F)F ZINC001363046868 928802528 /nfs/dbraw/zinc/80/25/28/928802528.db2.gz RVHQYOXINLUQSM-UHFFFAOYSA-N 2 2 299.337 0.565 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)COCC(F)(F)F ZINC001363046868 928802538 /nfs/dbraw/zinc/80/25/38/928802538.db2.gz RVHQYOXINLUQSM-UHFFFAOYSA-N 2 2 299.337 0.565 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC001363354632 929140308 /nfs/dbraw/zinc/14/03/08/929140308.db2.gz HWHNHIYEPCRWAQ-LSDHHAIUSA-N 2 2 289.379 0.959 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC001363354632 929140312 /nfs/dbraw/zinc/14/03/12/929140312.db2.gz HWHNHIYEPCRWAQ-LSDHHAIUSA-N 2 2 289.379 0.959 20 0 CCADLP CC[N@@H+]1CC[C@H]1C(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1 ZINC001363574375 929379961 /nfs/dbraw/zinc/37/99/61/929379961.db2.gz KROFQVAKJDIYSE-MJBXVCDLSA-N 2 2 283.416 0.648 20 0 CCADLP CC[N@H+]1CC[C@H]1C(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1 ZINC001363574375 929379974 /nfs/dbraw/zinc/37/99/74/929379974.db2.gz KROFQVAKJDIYSE-MJBXVCDLSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CC[C@H]1C(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC001363574375 929379985 /nfs/dbraw/zinc/37/99/85/929379985.db2.gz KROFQVAKJDIYSE-MJBXVCDLSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CC[C@H]1C(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC001363574375 929379997 /nfs/dbraw/zinc/37/99/97/929379997.db2.gz KROFQVAKJDIYSE-MJBXVCDLSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]C[C@@H]1CCOC1 ZINC001371865228 929647362 /nfs/dbraw/zinc/64/73/62/929647362.db2.gz ZCNGEJOGNZDRSP-RYUDHWBXSA-N 2 2 280.372 0.473 20 0 CCADLP CC[C@@H](C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1)OC ZINC001443707844 929682798 /nfs/dbraw/zinc/68/27/98/929682798.db2.gz DPJHOUVCJHWNJQ-KBPBESRZSA-N 2 2 294.399 0.958 20 0 CCADLP CC[C@@H](C[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1)OC ZINC001443707844 929682804 /nfs/dbraw/zinc/68/28/04/929682804.db2.gz DPJHOUVCJHWNJQ-KBPBESRZSA-N 2 2 294.399 0.958 20 0 CCADLP CC[C@@H](C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1)OC ZINC001443707844 929682810 /nfs/dbraw/zinc/68/28/10/929682810.db2.gz DPJHOUVCJHWNJQ-KBPBESRZSA-N 2 2 294.399 0.958 20 0 CCADLP CC[C@@H](C[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1)OC ZINC001443707844 929682814 /nfs/dbraw/zinc/68/28/14/929682814.db2.gz DPJHOUVCJHWNJQ-KBPBESRZSA-N 2 2 294.399 0.958 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NCC[N@H+](C)CCCF)no1 ZINC001372027202 929708030 /nfs/dbraw/zinc/70/80/30/929708030.db2.gz WZQFCHURQVWKOH-UHFFFAOYSA-N 2 2 286.351 0.757 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NCC[N@@H+](C)CCCF)no1 ZINC001372027202 929708036 /nfs/dbraw/zinc/70/80/36/929708036.db2.gz WZQFCHURQVWKOH-UHFFFAOYSA-N 2 2 286.351 0.757 20 0 CCADLP CN(C(=O)CCCn1cc[nH+]c1)[C@@H]1CC[N@H+](CCO)C1 ZINC001443847165 929720059 /nfs/dbraw/zinc/72/00/59/929720059.db2.gz QPCSTRYIQWWBEX-CYBMUJFWSA-N 2 2 280.372 0.188 20 0 CCADLP CN(C(=O)CCCn1cc[nH+]c1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001443847165 929720065 /nfs/dbraw/zinc/72/00/65/929720065.db2.gz QPCSTRYIQWWBEX-CYBMUJFWSA-N 2 2 280.372 0.188 20 0 CCADLP CCN(C(=O)Cc1[nH]c[nH+]c1C)[C@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001443883291 929725925 /nfs/dbraw/zinc/72/59/25/929725925.db2.gz XADVODKRAGVJCP-AAEUAGOBSA-N 2 2 294.399 0.564 20 0 CCADLP CCN(C(=O)Cc1[nH]c[nH+]c1C)[C@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001443883291 929725935 /nfs/dbraw/zinc/72/59/35/929725935.db2.gz XADVODKRAGVJCP-AAEUAGOBSA-N 2 2 294.399 0.564 20 0 CCADLP CC[C@@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)[NH2+]CCO ZINC001443950676 929748652 /nfs/dbraw/zinc/74/86/52/929748652.db2.gz WGIQMPYIBAAFMO-LBPRGKRZSA-N 2 2 282.388 0.403 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001372568605 929885744 /nfs/dbraw/zinc/88/57/44/929885744.db2.gz RWRSYXOUDZAFID-WCQYABFASA-N 2 2 294.399 0.876 20 0 CCADLP CO[C@@H](C)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001372568605 929885748 /nfs/dbraw/zinc/88/57/48/929885748.db2.gz RWRSYXOUDZAFID-WCQYABFASA-N 2 2 294.399 0.876 20 0 CCADLP C[C@H](C[NH2+]Cc1cnsn1)N(C)C(=O)C[NH+]1CCCC1 ZINC001444729043 929942392 /nfs/dbraw/zinc/94/23/92/929942392.db2.gz OQXHUFCRLHNLMI-LLVKDONJSA-N 2 2 297.428 0.570 20 0 CCADLP O=C(NCC[N@@H+](CCCO)C1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001372808840 929968889 /nfs/dbraw/zinc/96/88/89/929968889.db2.gz UEBPEOYPZZNUFC-CHWSQXEVSA-N 2 2 292.383 0.476 20 0 CCADLP O=C(NCC[N@H+](CCCO)C1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001372808840 929968904 /nfs/dbraw/zinc/96/89/04/929968904.db2.gz UEBPEOYPZZNUFC-CHWSQXEVSA-N 2 2 292.383 0.476 20 0 CCADLP O=C(NCC[N@@H+](CCCO)C1CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001372808840 929968915 /nfs/dbraw/zinc/96/89/15/929968915.db2.gz UEBPEOYPZZNUFC-CHWSQXEVSA-N 2 2 292.383 0.476 20 0 CCADLP O=C(NCC[N@H+](CCCO)C1CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001372808840 929968926 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C[C@@H](C[N@@H+](C)CCOC1CCC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001445817586 930257082 /nfs/dbraw/zinc/25/70/82/930257082.db2.gz MWFNZURIGROMSO-LBPRGKRZSA-N 2 2 294.399 0.958 20 0 CCADLP Cn1c[nH+]cc1CN1CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001446073970 930328369 /nfs/dbraw/zinc/32/83/69/930328369.db2.gz MMQVAAGACFTAEZ-CYBMUJFWSA-N 2 2 293.415 0.452 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CCCC1 ZINC001446498178 930420350 /nfs/dbraw/zinc/42/03/50/930420350.db2.gz KFTSFIGGRXWJHZ-WCQYABFASA-N 2 2 294.399 0.598 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@]1(C)CC[N@@H+](C[C@@H](C)O)C1 ZINC001446569679 930440547 /nfs/dbraw/zinc/44/05/47/930440547.db2.gz YCRCOCXTVCVHBU-QMTHXVAHSA-N 2 2 280.372 0.222 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@]1(C)CC[N@H+](C[C@@H](C)O)C1 ZINC001446569679 930440550 /nfs/dbraw/zinc/44/05/50/930440550.db2.gz YCRCOCXTVCVHBU-QMTHXVAHSA-N 2 2 280.372 0.222 20 0 CCADLP CCC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCOCC1 ZINC001446720139 930465284 /nfs/dbraw/zinc/46/52/84/930465284.db2.gz 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C[C@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001448504868 930906954 /nfs/dbraw/zinc/90/69/54/930906954.db2.gz UFFOEIFOYLATMG-GVXVVHGQSA-N 2 2 280.372 0.208 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001448504868 930906968 /nfs/dbraw/zinc/90/69/68/930906968.db2.gz UFFOEIFOYLATMG-GVXVVHGQSA-N 2 2 280.372 0.208 20 0 CCADLP CCc1noc(C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C)n1 ZINC001448722690 930959344 /nfs/dbraw/zinc/95/93/44/930959344.db2.gz TTWYRZLFMDUYNP-NSHDSACASA-N 2 2 297.403 0.520 20 0 CCADLP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]C[C@@H]1CCCCO1 ZINC001448733626 930960670 /nfs/dbraw/zinc/96/06/70/930960670.db2.gz NWCZRLIKYPEZAD-OCCSQVGLSA-N 2 2 294.399 0.958 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](C)[NH2+]C[C@@H]1CCOC1 ZINC001448789305 930985026 /nfs/dbraw/zinc/98/50/26/930985026.db2.gz RNNMMTSMJLUQKP-YPMHNXCESA-N 2 2 294.399 0.734 20 0 CCADLP CC[N@@H+]1CC[C@](O)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001376074285 931044111 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CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2cnon2)CC[N@@H+]1C ZINC001376729970 931252388 /nfs/dbraw/zinc/25/23/88/931252388.db2.gz IRYKWHGEPAPVME-WCFLWFBJSA-N 2 2 295.387 0.394 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2cnon2)CC[N@H+]1C ZINC001376729970 931252394 /nfs/dbraw/zinc/25/23/94/931252394.db2.gz IRYKWHGEPAPVME-WCFLWFBJSA-N 2 2 295.387 0.394 20 0 CCADLP Cc1ncc(C[NH2+][C@@H](C)CNC(=O)Cn2cc[nH+]c2)s1 ZINC001376890818 931314476 /nfs/dbraw/zinc/31/44/76/931314476.db2.gz YMIIZXRZGONVSI-JTQLQIEISA-N 2 2 293.396 0.943 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)NCCC[NH+](C)CCN(C)C ZINC001450783913 931335342 /nfs/dbraw/zinc/33/53/42/931335342.db2.gz FBAHZNDDGFHADF-CYBMUJFWSA-N 2 2 270.421 0.080 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)NCCC[NH+](C)CCN(C)C ZINC001450783913 931335348 /nfs/dbraw/zinc/33/53/48/931335348.db2.gz FBAHZNDDGFHADF-CYBMUJFWSA-N 2 2 270.421 0.080 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)NCCC[N@H+](C)CCN(C)C ZINC001450783913 931335352 /nfs/dbraw/zinc/33/53/52/931335352.db2.gz FBAHZNDDGFHADF-CYBMUJFWSA-N 2 2 270.421 0.080 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)NCCC[N@@H+](C)CCN(C)C ZINC001450783913 931335356 /nfs/dbraw/zinc/33/53/56/931335356.db2.gz FBAHZNDDGFHADF-CYBMUJFWSA-N 2 2 270.421 0.080 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)NCCCN(C)CC[NH+](C)C ZINC001450783913 931335362 /nfs/dbraw/zinc/33/53/62/931335362.db2.gz FBAHZNDDGFHADF-CYBMUJFWSA-N 2 2 270.421 0.080 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)NCCCN(C)CC[NH+](C)C ZINC001450783913 931335366 /nfs/dbraw/zinc/33/53/66/931335366.db2.gz FBAHZNDDGFHADF-CYBMUJFWSA-N 2 2 270.421 0.080 20 0 CCADLP C[C@H](CCNC(=O)Cc1c[nH+]cn1C)[NH2+]C[C@H]1CCOC1 ZINC001377108733 931384301 /nfs/dbraw/zinc/38/43/01/931384301.db2.gz VUFHSCXLEQCVPY-CHWSQXEVSA-N 2 2 294.399 0.484 20 0 CCADLP Cc1cccc(CC[NH+]2CCN(C(=O)C[NH+](C)C)CC2)n1 ZINC000573320347 334927327 /nfs/dbraw/zinc/92/73/27/334927327.db2.gz UMAQUVSNCIUVCF-UHFFFAOYSA-N 2 2 290.411 0.638 20 0 CCADLP Cn1ncc2c1nc[nH+]c2NCCNc1cc[nH+]cc1 ZINC000337409189 214063175 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COC(=O)[C@@]1(OC)CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000599566952 361747224 /nfs/dbraw/zinc/74/72/24/361747224.db2.gz UIGDWRDHJSRUOK-GFCCVEGCSA-N 2 2 253.302 0.147 20 0 CCADLP C[NH+]1CCN(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000337561280 214157945 /nfs/dbraw/zinc/15/79/45/214157945.db2.gz SMAIHRGITFWTPV-UHFFFAOYSA-N 2 2 277.372 0.841 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)NC(=O)NC2CCCCC2)CC[C@@H]1[NH3+] ZINC000094341798 349567070 /nfs/dbraw/zinc/56/70/70/349567070.db2.gz NHZKCZKOSNETEG-YPMHNXCESA-N 2 2 296.415 0.814 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CCCCC2)CC[C@@H]1[NH3+] ZINC000094341798 349567074 /nfs/dbraw/zinc/56/70/74/349567074.db2.gz NHZKCZKOSNETEG-YPMHNXCESA-N 2 2 296.415 0.814 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@H]2CCC[C@H]2C[NH3+])CCO1 ZINC000418458788 529392585 /nfs/dbraw/zinc/39/25/85/529392585.db2.gz JIZKLOLVDBBYGR-MJBXVCDLSA-N 2 2 298.431 0.524 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2CCC[C@H]2C[NH3+])CCO1 ZINC000418458788 529392588 /nfs/dbraw/zinc/39/25/88/529392588.db2.gz JIZKLOLVDBBYGR-MJBXVCDLSA-N 2 2 298.431 0.524 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000418712376 529445364 /nfs/dbraw/zinc/44/53/64/529445364.db2.gz NVSHNTYBSTXOCK-STQMWFEESA-N 2 2 284.404 0.230 20 0 CCADLP CCc1cc(N2CC[NH+](CC(=O)NC)CC2)cc[nH+]1 ZINC000450223711 529534143 /nfs/dbraw/zinc/53/41/43/529534143.db2.gz OYSVTIGNMDAXKT-UHFFFAOYSA-N 2 2 262.357 0.512 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000492924554 529554704 /nfs/dbraw/zinc/55/47/04/529554704.db2.gz NENOPEUQRMZMTN-ITKZLYELSA-N 2 2 278.356 0.363 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000492924554 529554706 /nfs/dbraw/zinc/55/47/06/529554706.db2.gz NENOPEUQRMZMTN-ITKZLYELSA-N 2 2 278.356 0.363 20 0 CCADLP CCOC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107372298 349737169 /nfs/dbraw/zinc/73/71/69/349737169.db2.gz ZZXKOMJVZRFYTF-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP CCOC(=O)C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107372298 349737170 /nfs/dbraw/zinc/73/71/70/349737170.db2.gz ZZXKOMJVZRFYTF-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)NCc1ccccc1 ZINC000107854700 349740926 /nfs/dbraw/zinc/74/09/26/349740926.db2.gz DIRUDBYYTUICAD-KBPBESRZSA-N 2 2 259.353 0.454 20 0 CCADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)NC(=O)NC1CCCCC1 ZINC000107855258 349741581 /nfs/dbraw/zinc/74/15/81/349741581.db2.gz SNSULMDVZYJNGQ-RYUDHWBXSA-N 2 2 294.399 0.296 20 0 CCADLP CCC(CC)NC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577234 282208061 /nfs/dbraw/zinc/20/80/61/282208061.db2.gz VDCGSPDKBKNRCI-UTUOFQBUSA-N 2 2 253.390 0.831 20 0 CCADLP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577234 282208063 /nfs/dbraw/zinc/20/80/63/282208063.db2.gz VDCGSPDKBKNRCI-UTUOFQBUSA-N 2 2 253.390 0.831 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](C)CO1 ZINC000617726349 365736913 /nfs/dbraw/zinc/73/69/13/365736913.db2.gz VVDOZDTUCXZAFG-AJNGGQMLSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](C)CO1 ZINC000617726349 365736916 /nfs/dbraw/zinc/73/69/16/365736916.db2.gz VVDOZDTUCXZAFG-AJNGGQMLSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H](C)CO1 ZINC000617726349 365736921 /nfs/dbraw/zinc/73/69/21/365736921.db2.gz VVDOZDTUCXZAFG-AJNGGQMLSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](C)CO1 ZINC000617726349 365736923 /nfs/dbraw/zinc/73/69/23/365736923.db2.gz VVDOZDTUCXZAFG-AJNGGQMLSA-N 2 2 297.443 0.942 20 0 CCADLP CC[N@H+](CC(=O)NCC[NH+]1C[C@@H](C)OC[C@H]1C)C1CC1 ZINC000617730348 365740151 /nfs/dbraw/zinc/74/01/51/365740151.db2.gz LSKCLECDRIXAAR-CHWSQXEVSA-N 2 2 283.416 0.696 20 0 CCADLP CC[N@@H+](CC(=O)NCC[NH+]1C[C@@H](C)OC[C@H]1C)C1CC1 ZINC000617730348 365740155 /nfs/dbraw/zinc/74/01/55/365740155.db2.gz LSKCLECDRIXAAR-CHWSQXEVSA-N 2 2 283.416 0.696 20 0 CCADLP CC[NH+](CC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)C1CC1 ZINC000617730348 365740160 /nfs/dbraw/zinc/74/01/60/365740160.db2.gz LSKCLECDRIXAAR-CHWSQXEVSA-N 2 2 283.416 0.696 20 0 CCADLP CC[NH+](CC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)C1CC1 ZINC000617730348 365740164 /nfs/dbraw/zinc/74/01/64/365740164.db2.gz LSKCLECDRIXAAR-CHWSQXEVSA-N 2 2 283.416 0.696 20 0 CCADLP CCC(CC)[C@H](C(=O)NC[C@@H]([NH3+])CC)[NH+]1CCOCC1 ZINC000449610688 282254629 /nfs/dbraw/zinc/25/46/29/282254629.db2.gz RPMCDKPADNOREE-UONOGXRCSA-N 2 2 285.432 0.977 20 0 CCADLP CCC(CC)[C@H](C(=O)NC[C@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000342762048 282255199 /nfs/dbraw/zinc/25/51/99/282255199.db2.gz USDKGLFPIKZIBE-DZGCQCFKSA-N 2 2 297.443 0.849 20 0 CCADLP COC(=O)CCN1CC[C@@H]([N@@H+]2CCCCC[C@@H]([NH3+])C2)C1=O ZINC000601323588 362220670 /nfs/dbraw/zinc/22/06/70/362220670.db2.gz CKSAUELKTROAKS-CHWSQXEVSA-N 2 2 297.399 0.354 20 0 CCADLP COC(=O)CCN1CC[C@@H]([N@H+]2CCCCC[C@@H]([NH3+])C2)C1=O ZINC000601323588 362220678 /nfs/dbraw/zinc/22/06/78/362220678.db2.gz CKSAUELKTROAKS-CHWSQXEVSA-N 2 2 297.399 0.354 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)CCCC[NH+](C)C ZINC000617733847 365744759 /nfs/dbraw/zinc/74/47/59/365744759.db2.gz WRQLWVPBLUMVOI-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)CCCC[NH+](C)C ZINC000617733847 365744768 /nfs/dbraw/zinc/74/47/68/365744768.db2.gz WRQLWVPBLUMVOI-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601334120 362230859 /nfs/dbraw/zinc/23/08/59/362230859.db2.gz IQYCXRAYIAABDN-RYUDHWBXSA-N 2 2 296.415 0.685 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601334120 362230864 /nfs/dbraw/zinc/23/08/64/362230864.db2.gz IQYCXRAYIAABDN-RYUDHWBXSA-N 2 2 296.415 0.685 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000227353034 136387793 /nfs/dbraw/zinc/38/77/93/136387793.db2.gz XTQSKKXEDRCMAV-LBPRGKRZSA-N 2 2 278.356 0.140 20 0 CCADLP C[C@H](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH+](C)C ZINC000617754842 365757220 /nfs/dbraw/zinc/75/72/20/365757220.db2.gz BLHKYXVPPPRJDG-VXGBXAGGSA-N 2 2 264.373 0.902 20 0 CCADLP C[C@H](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH+](C)C ZINC000617751548 365755563 /nfs/dbraw/zinc/75/55/63/365755563.db2.gz YZWRHKUSLAZOHA-VXGBXAGGSA-N 2 2 264.373 0.902 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1cscn1 ZINC000617763594 365765860 /nfs/dbraw/zinc/76/58/60/365765860.db2.gz VOUHEZAMSTVPRG-UHFFFAOYSA-N 2 2 284.429 0.685 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1cscn1 ZINC000617763594 365765869 /nfs/dbraw/zinc/76/58/69/365765869.db2.gz VOUHEZAMSTVPRG-UHFFFAOYSA-N 2 2 284.429 0.685 20 0 CCADLP C[C@H](CC(=O)NCC[N@H+](C)CCC[NH+](C)C)n1cc[nH+]c1 ZINC000617763295 365767108 /nfs/dbraw/zinc/76/71/08/365767108.db2.gz LXFHNBVPWPUMCL-CQSZACIVSA-N 3 2 295.431 0.834 20 0 CCADLP C[C@H](CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1cc[nH+]c1 ZINC000617763295 365767111 /nfs/dbraw/zinc/76/71/11/365767111.db2.gz LXFHNBVPWPUMCL-CQSZACIVSA-N 3 2 295.431 0.834 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@](C)(O)C1CC1 ZINC000617765439 365771170 /nfs/dbraw/zinc/77/11/70/365771170.db2.gz APGNVZKIIMBHMI-HNNXBMFYSA-N 2 2 285.432 0.537 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@](C)(O)C1CC1 ZINC000617765439 365771173 /nfs/dbraw/zinc/77/11/73/365771173.db2.gz APGNVZKIIMBHMI-HNNXBMFYSA-N 2 2 285.432 0.537 20 0 CCADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)C3([NH3+])CCCCC3)C[C@@H]21 ZINC000423932652 529784736 /nfs/dbraw/zinc/78/47/36/529784736.db2.gz PHBCWBXZLKNSKM-QWHCGFSZSA-N 2 2 281.400 0.580 20 0 CCADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)C3([NH3+])CCCCC3)C[C@@H]21 ZINC000423932652 529784737 /nfs/dbraw/zinc/78/47/37/529784737.db2.gz PHBCWBXZLKNSKM-QWHCGFSZSA-N 2 2 281.400 0.580 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC000358162075 529800410 /nfs/dbraw/zinc/80/04/10/529800410.db2.gz LEPCSHOBWMWZRZ-CQSZACIVSA-N 2 2 266.389 0.794 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC000358162075 529800411 /nfs/dbraw/zinc/80/04/11/529800411.db2.gz LEPCSHOBWMWZRZ-CQSZACIVSA-N 2 2 266.389 0.794 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+](C)C2(CCO)CCOCC2)n1C ZINC000425376080 529806470 /nfs/dbraw/zinc/80/64/70/529806470.db2.gz DRTPERRUKSAOJO-UHFFFAOYSA-N 2 2 296.415 0.850 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+](C)C2(CCO)CCOCC2)n1C ZINC000425376080 529806472 /nfs/dbraw/zinc/80/64/72/529806472.db2.gz DRTPERRUKSAOJO-UHFFFAOYSA-N 2 2 296.415 0.850 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C(C)(C)CN2CCOCC2)n1C ZINC000308639373 529808848 /nfs/dbraw/zinc/80/88/48/529808848.db2.gz JTZZQEYKSXXKNK-UHFFFAOYSA-N 2 2 295.431 0.687 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@H](CO)CC(F)(F)F)n1C ZINC000425361218 529810754 /nfs/dbraw/zinc/81/07/54/529810754.db2.gz TZDWAQIVWQWYRI-QMMMGPOBSA-N 2 2 280.294 0.889 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CC(=O)NC1CC[NH+](CC)CC1 ZINC000115741333 349860521 /nfs/dbraw/zinc/86/05/21/349860521.db2.gz NWEVTNHZBJBBKB-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@H]1COCC[N@H+]1CC(=O)NC1CC[NH+](CC)CC1 ZINC000115741333 349860525 /nfs/dbraw/zinc/86/05/25/349860525.db2.gz NWEVTNHZBJBBKB-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP CN(C(=O)c1cn[nH]n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601472439 362284264 /nfs/dbraw/zinc/28/42/64/362284264.db2.gz KGCFOZKSLGPIOR-LBPRGKRZSA-N 2 2 292.387 0.045 20 0 CCADLP CN(C(=O)c1cn[nH]n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601472439 362284268 /nfs/dbraw/zinc/28/42/68/362284268.db2.gz KGCFOZKSLGPIOR-LBPRGKRZSA-N 2 2 292.387 0.045 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)C1 ZINC000430957187 529993094 /nfs/dbraw/zinc/99/30/94/529993094.db2.gz RDMCWZKTYOJMME-KKUMJFAQSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)C1 ZINC000430957187 529993096 /nfs/dbraw/zinc/99/30/96/529993096.db2.gz RDMCWZKTYOJMME-KKUMJFAQSA-N 2 2 295.427 0.698 20 0 CCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000602107630 362493990 /nfs/dbraw/zinc/49/39/90/362493990.db2.gz MRPYXATZYKZKOI-VXGBXAGGSA-N 2 2 285.388 0.032 20 0 CCADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000449116083 530042042 /nfs/dbraw/zinc/04/20/42/530042042.db2.gz OGZOTQGAZFRAIB-ZDUSSCGKSA-N 2 2 285.432 0.801 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(OC3CCC3)CC2)CC1 ZINC000419280326 530067960 /nfs/dbraw/zinc/06/79/60/530067960.db2.gz FKQLBZBJMWGJJI-UHFFFAOYSA-N 2 2 295.427 0.794 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655241368 412518410 /nfs/dbraw/zinc/51/84/10/412518410.db2.gz KFPHRKICASNFRV-UTUOFQBUSA-N 2 2 294.399 0.875 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655241368 412518415 /nfs/dbraw/zinc/51/84/15/412518415.db2.gz KFPHRKICASNFRV-UTUOFQBUSA-N 2 2 294.399 0.875 20 0 CCADLP Cc1ccncc1C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000361425337 232126683 /nfs/dbraw/zinc/12/66/83/232126683.db2.gz NGHCFPBBYXXZOB-UHFFFAOYSA-N 2 2 276.384 0.596 20 0 CCADLP Cc1ccncc1C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000361425337 232126690 /nfs/dbraw/zinc/12/66/90/232126690.db2.gz NGHCFPBBYXXZOB-UHFFFAOYSA-N 2 2 276.384 0.596 20 0 CCADLP C[C@H]1OCC[C@H]1[N@H+](CCO)CCCn1cc[nH+]c1 ZINC000361586400 232162673 /nfs/dbraw/zinc/16/26/73/232162673.db2.gz SHVQSBDAXZYLLN-CHWSQXEVSA-N 2 2 253.346 0.745 20 0 CCADLP C[C@H]1OCC[C@H]1[N@@H+](CCO)CCCn1cc[nH+]c1 ZINC000361586400 232162676 /nfs/dbraw/zinc/16/26/76/232162676.db2.gz SHVQSBDAXZYLLN-CHWSQXEVSA-N 2 2 253.346 0.745 20 0 CCADLP Cn1cc[nH+]c1CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000602347784 362593900 /nfs/dbraw/zinc/59/39/00/362593900.db2.gz NVVUNIHYXVRZLX-QWHCGFSZSA-N 2 2 264.373 0.451 20 0 CCADLP C[NH+](C)C1(CNC(=O)C[NH+]2CC(C)(C)C2)CCOCC1 ZINC000573739249 334962352 /nfs/dbraw/zinc/96/23/52/334962352.db2.gz HWFKDNGXFSOJJB-UHFFFAOYSA-N 2 2 283.416 0.555 20 0 CCADLP CC(C)[C@H](C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C)N1CCOCC1 ZINC000343087885 535018706 /nfs/dbraw/zinc/01/87/06/535018706.db2.gz XARPYGGQADKTSO-KFWWJZLASA-N 2 2 269.433 0.883 20 0 CCADLP CC(C)[C@H](C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)N1CCOCC1 ZINC000343087885 535018714 /nfs/dbraw/zinc/01/87/14/535018714.db2.gz XARPYGGQADKTSO-KFWWJZLASA-N 2 2 269.433 0.883 20 0 CCADLP C[C@H](CC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)n1cc[nH+]c1 ZINC000655293386 412528225 /nfs/dbraw/zinc/52/82/25/412528225.db2.gz MHFWYOOSDGSHSZ-FRRDWIJNSA-N 2 2 278.356 0.112 20 0 CCADLP C[C@H](CC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)n1cc[nH+]c1 ZINC000655293386 412528228 /nfs/dbraw/zinc/52/82/28/412528228.db2.gz MHFWYOOSDGSHSZ-FRRDWIJNSA-N 2 2 278.356 0.112 20 0 CCADLP CSCC[C@@H]([NH3+])C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000167695184 136845335 /nfs/dbraw/zinc/84/53/35/136845335.db2.gz DOVACTUHMMDUPM-GRYCIOLGSA-N 2 2 289.445 0.292 20 0 CCADLP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453133 137003050 /nfs/dbraw/zinc/00/30/50/137003050.db2.gz BIZWBJZPMGJTAT-CYDGBPFRSA-N 2 2 253.390 0.831 20 0 CCADLP CCCS(=O)(=O)CC[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000261543256 137007313 /nfs/dbraw/zinc/00/73/13/137007313.db2.gz SCBCXGHNFVMUNA-NWDGAFQWSA-N 2 2 262.419 0.870 20 0 CCADLP CCCS(=O)(=O)CC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000261543256 137007314 /nfs/dbraw/zinc/00/73/14/137007314.db2.gz SCBCXGHNFVMUNA-NWDGAFQWSA-N 2 2 262.419 0.870 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)C1(C[NH3+])CCOCC1 ZINC000262346736 137039528 /nfs/dbraw/zinc/03/95/28/137039528.db2.gz UEYPKRXJNXMWJJ-UHFFFAOYSA-N 2 2 292.383 0.519 20 0 CCADLP C[C@@H](CNC(=O)CCCCCC[NH3+])[NH+]1CCN(C)CC1 ZINC000262659140 137049796 /nfs/dbraw/zinc/04/97/96/137049796.db2.gz WLFRIPZKJMBHAM-AWEZNQCLSA-N 2 2 284.448 0.648 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000262849484 137054396 /nfs/dbraw/zinc/05/43/96/137054396.db2.gz ZHRRBCLOQSPNPL-GFCCVEGCSA-N 2 2 294.424 0.859 20 0 CCADLP C[NH+](C)C1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000262994102 137056956 /nfs/dbraw/zinc/05/69/56/137056956.db2.gz OCAVILOJTBRQJC-SNVBAGLBSA-N 2 2 261.316 0.536 20 0 CCADLP C[C@H]1CCCN(C(=O)C2CC[NH+](CC[NH3+])CC2)C1 ZINC000263099650 137058338 /nfs/dbraw/zinc/05/83/38/137058338.db2.gz ZFNUAXQDBQIMLJ-LBPRGKRZSA-N 2 2 253.390 0.916 20 0 CCADLP C[C@@H]([NH3+])CC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000261881304 137023793 /nfs/dbraw/zinc/02/37/93/137023793.db2.gz RUUYICBRTAWQJL-CQSZACIVSA-N 2 2 291.395 0.947 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)N(C)C ZINC000261926663 137026142 /nfs/dbraw/zinc/02/61/42/137026142.db2.gz LDAZWNDGIHNGMY-XJFOESAGSA-N 2 2 255.406 0.683 20 0 CCADLP CCOC(=O)Cn1nc(C)c(C[N@@H+]2CCC[NH2+]CC2)c1C ZINC000261999513 137027769 /nfs/dbraw/zinc/02/77/69/137027769.db2.gz TZTGDDCZFCLYAN-UHFFFAOYSA-N 2 2 294.399 0.858 20 0 CCADLP CCOC(=O)Cn1nc(C)c(C[N@H+]2CCC[NH2+]CC2)c1C ZINC000261999513 137027770 /nfs/dbraw/zinc/02/77/70/137027770.db2.gz TZTGDDCZFCLYAN-UHFFFAOYSA-N 2 2 294.399 0.858 20 0 CCADLP Cc1nc(C)n(C[C@@H]2C[N@H+](C[C@@H]3CCC[NH2+]C3)CCO2)n1 ZINC000262003640 137028002 /nfs/dbraw/zinc/02/80/02/137028002.db2.gz UHRZHRIICMUWED-CABCVRRESA-N 2 2 293.415 0.595 20 0 CCADLP Cc1nc(C)n(C[C@@H]2C[N@@H+](C[C@@H]3CCC[NH2+]C3)CCO2)n1 ZINC000262003640 137028003 /nfs/dbraw/zinc/02/80/03/137028003.db2.gz UHRZHRIICMUWED-CABCVRRESA-N 2 2 293.415 0.595 20 0 CCADLP COC[C@H]([NH3+])C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000262316929 137037365 /nfs/dbraw/zinc/03/73/65/137037365.db2.gz PWHHZXZCPAHQLN-LBPRGKRZSA-N 2 2 294.355 0.099 20 0 CCADLP C[NH2+][C@@H](C(=O)NCCn1cc[nH+]c1C)c1cnn(C)c1 ZINC000262323817 137038275 /nfs/dbraw/zinc/03/82/75/137038275.db2.gz FTGJUPDDPNLYIA-GFCCVEGCSA-N 2 2 276.344 0.002 20 0 CCADLP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000263243193 137061534 /nfs/dbraw/zinc/06/15/34/137061534.db2.gz OYLVCMZWRQKION-OCCSQVGLSA-N 2 2 269.389 0.342 20 0 CCADLP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000311040133 137073604 /nfs/dbraw/zinc/07/36/04/137073604.db2.gz OVRGIWQBVWPJKW-AVGNSLFASA-N 2 2 253.390 0.833 20 0 CCADLP CCCCNC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000311040133 137073605 /nfs/dbraw/zinc/07/36/05/137073605.db2.gz OVRGIWQBVWPJKW-AVGNSLFASA-N 2 2 253.390 0.833 20 0 CCADLP CCC(CC)NC(=O)[C@@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000314132378 137078915 /nfs/dbraw/zinc/07/89/15/137078915.db2.gz LXJIGAQUWRNWFU-HIFRSBDPSA-N 2 2 296.459 0.659 20 0 CCADLP C[C@@H](C(=O)NCC1=CC[N@H+](C)CC1)[NH+]1CCOCC1 ZINC000343252728 137122992 /nfs/dbraw/zinc/12/29/92/137122992.db2.gz RFXRZUQFUWGMMU-LBPRGKRZSA-N 2 2 267.373 0.085 20 0 CCADLP C[C@@H](C(=O)NCC1=CC[N@@H+](C)CC1)[NH+]1CCOCC1 ZINC000343252728 137122993 /nfs/dbraw/zinc/12/29/93/137122993.db2.gz RFXRZUQFUWGMMU-LBPRGKRZSA-N 2 2 267.373 0.085 20 0 CCADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)C(=O)NC(=O)NCC(F)(F)F ZINC000342136924 137087446 /nfs/dbraw/zinc/08/74/46/137087446.db2.gz MNHDRNWRJXMJMO-SSDOTTSWSA-N 2 2 296.293 0.234 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000342946222 137105490 /nfs/dbraw/zinc/10/54/90/137105490.db2.gz LAFYOLOGAHAEJK-UHFFFAOYSA-N 2 2 282.388 0.772 20 0 CCADLP COCC[N@@H+](C)CCCNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000342946222 137105491 /nfs/dbraw/zinc/10/54/91/137105491.db2.gz LAFYOLOGAHAEJK-UHFFFAOYSA-N 2 2 282.388 0.772 20 0 CCADLP C[NH+](C)CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000343270162 137123459 /nfs/dbraw/zinc/12/34/59/137123459.db2.gz PFOAMAHXVNZSSW-MGPQQGTHSA-N 3 2 255.406 0.685 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000343172733 137118691 /nfs/dbraw/zinc/11/86/91/137118691.db2.gz VQWAPJVHWHXDJR-NSHDSACASA-N 2 2 282.413 0.816 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000343172733 137118692 /nfs/dbraw/zinc/11/86/92/137118692.db2.gz VQWAPJVHWHXDJR-NSHDSACASA-N 2 2 282.413 0.816 20 0 CCADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000343509231 137139504 /nfs/dbraw/zinc/13/95/04/137139504.db2.gz HQDWRUSYZGHELE-CHWSQXEVSA-N 2 2 291.399 0.442 20 0 CCADLP O=C([C@H]1CCC[NH2+]C1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000343557729 137141970 /nfs/dbraw/zinc/14/19/70/137141970.db2.gz WFXLRBFVHAWMQD-LBPRGKRZSA-N 2 2 277.372 0.054 20 0 CCADLP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1cn(C)nn1 ZINC000344172824 137180966 /nfs/dbraw/zinc/18/09/66/137180966.db2.gz PZAIZVUBLDZZMZ-UHFFFAOYSA-N 2 2 294.447 0.665 20 0 CCADLP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1cn(C)nn1 ZINC000344172824 137180967 /nfs/dbraw/zinc/18/09/67/137180967.db2.gz PZAIZVUBLDZZMZ-UHFFFAOYSA-N 2 2 294.447 0.665 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000343866166 137163110 /nfs/dbraw/zinc/16/31/10/137163110.db2.gz JCWBMYKLJGUVEA-IACUBPJLSA-N 2 2 281.400 0.354 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000343866166 137163111 /nfs/dbraw/zinc/16/31/11/137163111.db2.gz JCWBMYKLJGUVEA-IACUBPJLSA-N 2 2 281.400 0.354 20 0 CCADLP C[C@H]1C[N@H+](Cc2cncn2C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343942744 137168499 /nfs/dbraw/zinc/16/84/99/137168499.db2.gz UJJOZJGPBVSXTC-GOEBONIOSA-N 2 2 291.443 0.878 20 0 CCADLP C[C@H]1C[N@@H+](Cc2cncn2C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343942744 137168500 /nfs/dbraw/zinc/16/85/00/137168500.db2.gz UJJOZJGPBVSXTC-GOEBONIOSA-N 2 2 291.443 0.878 20 0 CCADLP CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000344029420 137174253 /nfs/dbraw/zinc/17/42/53/137174253.db2.gz XLIUWGVQZQSASQ-MRVWCRGKSA-N 2 2 283.416 0.410 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000344131759 137178969 /nfs/dbraw/zinc/17/89/69/137178969.db2.gz RCHCNGCBGUSQFT-CYBMUJFWSA-N 2 2 294.399 0.734 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000344131759 137178970 /nfs/dbraw/zinc/17/89/70/137178970.db2.gz RCHCNGCBGUSQFT-CYBMUJFWSA-N 2 2 294.399 0.734 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000344131759 137178971 /nfs/dbraw/zinc/17/89/71/137178971.db2.gz RCHCNGCBGUSQFT-CYBMUJFWSA-N 2 2 294.399 0.734 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000344131759 137178972 /nfs/dbraw/zinc/17/89/72/137178972.db2.gz RCHCNGCBGUSQFT-CYBMUJFWSA-N 2 2 294.399 0.734 20 0 CCADLP CC[N@@H+]1CCN(c2nc(C)[nH+]c(N(C)C)n2)[C@H](C)C1 ZINC000343296196 137125949 /nfs/dbraw/zinc/12/59/49/137125949.db2.gz YGSXZQFUTQVJAK-SNVBAGLBSA-N 2 2 264.377 0.776 20 0 CCADLP CC[N@H+]1CCN(c2nc(C)[nH+]c(N(C)C)n2)[C@H](C)C1 ZINC000343296196 137125950 /nfs/dbraw/zinc/12/59/50/137125950.db2.gz YGSXZQFUTQVJAK-SNVBAGLBSA-N 2 2 264.377 0.776 20 0 CCADLP Cc1[nH+]ccn1CCCCNC(=O)[C@H]1[NH2+]CCO[C@H]1C ZINC000344419052 137193684 /nfs/dbraw/zinc/19/36/84/137193684.db2.gz NHYODOHDOZFATN-AAEUAGOBSA-N 2 2 280.372 0.465 20 0 CCADLP CO[C@@H]1C[C@@H](CN(C)Cc2[nH+]cc(C)n2C)[N@H+](C)C1 ZINC000344479357 137196591 /nfs/dbraw/zinc/19/65/91/137196591.db2.gz MIPLKJPQLNOBDX-QWHCGFSZSA-N 2 2 266.389 0.879 20 0 CCADLP CO[C@@H]1C[C@@H](CN(C)Cc2[nH+]cc(C)n2C)[N@@H+](C)C1 ZINC000344479357 137196592 /nfs/dbraw/zinc/19/65/92/137196592.db2.gz MIPLKJPQLNOBDX-QWHCGFSZSA-N 2 2 266.389 0.879 20 0 CCADLP O=C([C@@H]1CSC[NH2+]1)N1CCN(c2cccc[nH+]2)CC1 ZINC000019514734 348065165 /nfs/dbraw/zinc/06/51/65/348065165.db2.gz KSYMIUYTNCPLDU-NSHDSACASA-N 2 2 278.381 0.393 20 0 CCADLP CCO[C@@H](C)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000344749794 137211197 /nfs/dbraw/zinc/21/11/97/137211197.db2.gz UBKCHXSFFBYEIT-ZDUSSCGKSA-N 2 2 285.432 0.896 20 0 CCADLP CCO[C@@H](C)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000344749794 137211198 /nfs/dbraw/zinc/21/11/98/137211198.db2.gz UBKCHXSFFBYEIT-ZDUSSCGKSA-N 2 2 285.432 0.896 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc(C[NH3+])cc1 ZINC000037008661 348178843 /nfs/dbraw/zinc/17/88/43/348178843.db2.gz IVHWQIGSFWXFPZ-LBPRGKRZSA-N 2 2 277.368 0.596 20 0 CCADLP C[N@H+](CC(=O)NC(=O)NC(C)(C)C)C1CC[NH2+]CC1 ZINC000036300524 348165961 /nfs/dbraw/zinc/16/59/61/348165961.db2.gz KOXAVJKJNMMPES-UHFFFAOYSA-N 2 2 270.377 0.295 20 0 CCADLP C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C1CC[NH2+]CC1 ZINC000036300524 348165962 /nfs/dbraw/zinc/16/59/62/348165962.db2.gz KOXAVJKJNMMPES-UHFFFAOYSA-N 2 2 270.377 0.295 20 0 CCADLP CCC[C@@H]([NH3+])C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000036872839 348173904 /nfs/dbraw/zinc/17/39/04/348173904.db2.gz QSTHDVWBIPWGKH-GFCCVEGCSA-N 2 2 262.357 0.858 20 0 CCADLP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C[NH+]1CCCC1 ZINC000037904545 348217946 /nfs/dbraw/zinc/21/79/46/348217946.db2.gz RGNJPMHRBHMDDD-ZFWWWQNUSA-N 3 2 267.417 0.517 20 0 CCADLP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C[NH+]1CCCC1 ZINC000037904545 348217949 /nfs/dbraw/zinc/21/79/49/348217949.db2.gz RGNJPMHRBHMDDD-ZFWWWQNUSA-N 3 2 267.417 0.517 20 0 CCADLP CCCC[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000037619772 348194122 /nfs/dbraw/zinc/19/41/22/348194122.db2.gz VGNFPZMCZSQZKG-RYUDHWBXSA-N 2 2 257.378 0.341 20 0 CCADLP CC(C)([NH3+])C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000040923103 348245149 /nfs/dbraw/zinc/24/51/49/348245149.db2.gz CRVXYQZEKKSCMZ-UHFFFAOYSA-N 2 2 262.357 0.463 20 0 CCADLP C[C@H]([NH3+])C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000040855866 348245367 /nfs/dbraw/zinc/24/53/67/348245367.db2.gz JSFHHHBBUYNXJM-CMPLNLGQSA-N 2 2 258.325 0.973 20 0 CCADLP COC(=O)[C@H](CC(C)C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602875805 362856777 /nfs/dbraw/zinc/85/67/77/362856777.db2.gz APUHGGVFQOOJET-DZGCQCFKSA-N 2 2 286.416 0.963 20 0 CCADLP COC(=O)[C@H](CC(C)C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602875805 362856781 /nfs/dbraw/zinc/85/67/81/362856781.db2.gz APUHGGVFQOOJET-DZGCQCFKSA-N 2 2 286.416 0.963 20 0 CCADLP CC[NH+]1C[C@@H](C)N(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@@H]1C ZINC000345916518 137259960 /nfs/dbraw/zinc/25/99/60/137259960.db2.gz JJPVWGIJUCRISS-MJBXVCDLSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1C[C@@H](C)N(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@@H]1C ZINC000345916518 137259961 /nfs/dbraw/zinc/25/99/61/137259961.db2.gz JJPVWGIJUCRISS-MJBXVCDLSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H](C)[N@H+](CC)C[C@H]2C)C1 ZINC000345916518 137259962 /nfs/dbraw/zinc/25/99/62/137259962.db2.gz JJPVWGIJUCRISS-MJBXVCDLSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H](C)[N@@H+](CC)C[C@H]2C)C1 ZINC000345916518 137259963 /nfs/dbraw/zinc/25/99/63/137259963.db2.gz JJPVWGIJUCRISS-MJBXVCDLSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@H]1[C@H](NC(=O)N2CCn3cc[nH+]c3C2)CCC[N@@H+]1C ZINC000345735825 137249197 /nfs/dbraw/zinc/24/91/97/137249197.db2.gz DBTCRUZYTQXOTI-NWDGAFQWSA-N 2 2 277.372 0.891 20 0 CCADLP C[C@H]1[C@H](NC(=O)N2CCn3cc[nH+]c3C2)CCC[N@H+]1C ZINC000345735825 137249198 /nfs/dbraw/zinc/24/91/98/137249198.db2.gz DBTCRUZYTQXOTI-NWDGAFQWSA-N 2 2 277.372 0.891 20 0 CCADLP [NH3+][C@@H](CC(F)F)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000345756561 137250876 /nfs/dbraw/zinc/25/08/76/137250876.db2.gz FONJPSWLKAJDEB-VIFPVBQESA-N 2 2 287.314 0.036 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCC[C@H]2C(=O)NC)C1 ZINC000345839130 137255308 /nfs/dbraw/zinc/25/53/08/137255308.db2.gz GCXRKRGUBNVKBX-QNWHQSFQSA-N 2 2 253.390 0.831 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCC[C@H]2C(=O)NC)C1 ZINC000345839130 137255309 /nfs/dbraw/zinc/25/53/09/137255309.db2.gz GCXRKRGUBNVKBX-QNWHQSFQSA-N 2 2 253.390 0.831 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000346274296 137276512 /nfs/dbraw/zinc/27/65/12/137276512.db2.gz PXBJBBPKZXEYNI-FRRDWIJNSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000346274296 137276513 /nfs/dbraw/zinc/27/65/13/137276513.db2.gz PXBJBBPKZXEYNI-FRRDWIJNSA-N 2 2 269.389 0.341 20 0 CCADLP CNC(=O)CCOC1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000346277972 137276613 /nfs/dbraw/zinc/27/66/13/137276613.db2.gz NOSHHAWKRUDTMB-UHFFFAOYSA-N 2 2 294.399 0.809 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000346681950 137298874 /nfs/dbraw/zinc/29/88/74/137298874.db2.gz OSWPJTZVFBNVHF-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1CCC[N@H+]([C@H](C)CO)CC1 ZINC000346681950 137298875 /nfs/dbraw/zinc/29/88/75/137298875.db2.gz OSWPJTZVFBNVHF-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP CC[N@@H+]1C[C@H](C)N(C[C@@H](O)C[NH+]2CCOCC2)C[C@@H]1C ZINC000346199466 137272565 /nfs/dbraw/zinc/27/25/65/137272565.db2.gz VUIJSINQSMMADO-KKUMJFAQSA-N 2 2 285.432 0.094 20 0 CCADLP CC[N@H+]1C[C@H](C)N(C[C@@H](O)C[NH+]2CCOCC2)C[C@@H]1C ZINC000346199466 137272566 /nfs/dbraw/zinc/27/25/66/137272566.db2.gz VUIJSINQSMMADO-KKUMJFAQSA-N 2 2 285.432 0.094 20 0 CCADLP O=C(C[NH+]1CCCC1)N1CC[NH+](CCOC2CCC2)CC1 ZINC000346841569 137307541 /nfs/dbraw/zinc/30/75/41/137307541.db2.gz ABOBFUCEHMGMQP-UHFFFAOYSA-N 2 2 295.427 0.796 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccnc(N(C)C)n2)C1 ZINC000347175673 137323724 /nfs/dbraw/zinc/32/37/24/137323724.db2.gz QATARLMUARVXQM-GFCCVEGCSA-N 2 2 263.389 0.974 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccnc(N(C)C)n2)C1 ZINC000347175673 137323725 /nfs/dbraw/zinc/32/37/25/137323725.db2.gz QATARLMUARVXQM-GFCCVEGCSA-N 2 2 263.389 0.974 20 0 CCADLP Cc1[nH]ncc1C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000347196109 137324979 /nfs/dbraw/zinc/32/49/79/137324979.db2.gz HSIRQFAXMOOHHB-CYBMUJFWSA-N 2 2 291.399 0.362 20 0 CCADLP Cc1[nH]ncc1C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000347196109 137324980 /nfs/dbraw/zinc/32/49/80/137324980.db2.gz HSIRQFAXMOOHHB-CYBMUJFWSA-N 2 2 291.399 0.362 20 0 CCADLP O=C(CCOC1C[NH2+]C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000349049977 137385475 /nfs/dbraw/zinc/38/54/75/137385475.db2.gz ITIAHXNOAUPOAV-LLVKDONJSA-N 2 2 278.356 0.494 20 0 CCADLP C[C@H]1C[C@@H](O)CN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000349689518 137399763 /nfs/dbraw/zinc/39/97/63/137399763.db2.gz DDNUNDMWHOTOBC-GXTWGEPZSA-N 2 2 298.431 0.177 20 0 CCADLP CC[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000348143781 137374528 /nfs/dbraw/zinc/37/45/28/137374528.db2.gz AFGFDEUFRXQQOY-CHWSQXEVSA-N 2 2 253.390 0.929 20 0 CCADLP CC[N@H+](CCn1cc[nH+]c1)[C@H](C)CS(C)(=O)=O ZINC000120570871 349993944 /nfs/dbraw/zinc/99/39/44/349993944.db2.gz DSALHHHLAGJEPK-LLVKDONJSA-N 2 2 259.375 0.638 20 0 CCADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H](C)CS(C)(=O)=O ZINC000120570871 349993945 /nfs/dbraw/zinc/99/39/45/349993945.db2.gz DSALHHHLAGJEPK-LLVKDONJSA-N 2 2 259.375 0.638 20 0 CCADLP CC(C)(CNC(=O)C[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000061757181 348659416 /nfs/dbraw/zinc/65/94/16/348659416.db2.gz QGYKFJMGPOQTDY-UHFFFAOYSA-N 2 2 269.389 0.309 20 0 CCADLP CC[NH+]1CCN(C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000066475103 348744002 /nfs/dbraw/zinc/74/40/02/348744002.db2.gz OWLCTJPZYONZIM-ZNMIVQPWSA-N 2 2 285.432 0.094 20 0 CCADLP CC[NH+]1CCN(C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000066475103 348744004 /nfs/dbraw/zinc/74/40/04/348744004.db2.gz OWLCTJPZYONZIM-ZNMIVQPWSA-N 2 2 285.432 0.094 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)Cc2cnn(C)c2)CC1 ZINC000066564898 348748758 /nfs/dbraw/zinc/74/87/58/348748758.db2.gz GLNMKUAITVFSJH-UHFFFAOYSA-N 2 2 293.415 0.452 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2cnn(C)c2)CC1 ZINC000066564898 348748761 /nfs/dbraw/zinc/74/87/61/348748761.db2.gz GLNMKUAITVFSJH-UHFFFAOYSA-N 2 2 293.415 0.452 20 0 CCADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000070143578 348873183 /nfs/dbraw/zinc/87/31/83/348873183.db2.gz BQSIZVQZILTJCD-LBPRGKRZSA-N 3 2 265.405 0.918 20 0 CCADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000070143578 348873186 /nfs/dbraw/zinc/87/31/86/348873186.db2.gz BQSIZVQZILTJCD-LBPRGKRZSA-N 3 2 265.405 0.918 20 0 CCADLP CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CC[C@H](C[NH2+]C)C1)C(=O)OC ZINC000071146154 348904753 /nfs/dbraw/zinc/90/47/53/348904753.db2.gz CHKTZWDFGQBOGV-OUCADQQQSA-N 2 2 299.415 0.232 20 0 CCADLP CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CC[C@H](C[NH2+]C)C1)C(=O)OC ZINC000071146154 348904759 /nfs/dbraw/zinc/90/47/59/348904759.db2.gz CHKTZWDFGQBOGV-OUCADQQQSA-N 2 2 299.415 0.232 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000074365495 348988112 /nfs/dbraw/zinc/98/81/12/348988112.db2.gz TWGMCZQQGNXFDF-AWEZNQCLSA-N 2 2 292.383 0.596 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(O)(CC)CC2)CC1 ZINC000075859435 349054477 /nfs/dbraw/zinc/05/44/77/349054477.db2.gz ICHCJMONSQKJHZ-CQSZACIVSA-N 2 2 297.443 0.776 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000076002063 349062505 /nfs/dbraw/zinc/06/25/05/349062505.db2.gz MWWYHLNAXBPLSA-CYBMUJFWSA-N 2 2 298.431 0.886 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000076002063 349062506 /nfs/dbraw/zinc/06/25/06/349062506.db2.gz MWWYHLNAXBPLSA-CYBMUJFWSA-N 2 2 298.431 0.886 20 0 CCADLP CC[NH+](CC)CCNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000077826571 349123243 /nfs/dbraw/zinc/12/32/43/349123243.db2.gz ZXDIJGUEUAAPOP-ZDUSSCGKSA-N 2 2 286.420 0.348 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959999 349235457 /nfs/dbraw/zinc/23/54/57/349235457.db2.gz BEWASJKSAYXUNS-BDAKNGLRSA-N 2 2 265.317 0.173 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959999 349235460 /nfs/dbraw/zinc/23/54/60/349235460.db2.gz BEWASJKSAYXUNS-BDAKNGLRSA-N 2 2 265.317 0.173 20 0 CCADLP C[C@H](CS(C)(=O)=O)[NH2+]CC(C)(C)C[NH+](C)C ZINC000081898693 349287850 /nfs/dbraw/zinc/28/78/50/349287850.db2.gz ABSCQSLLSOOVLG-SNVBAGLBSA-N 2 2 250.408 0.597 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000081902486 349288113 /nfs/dbraw/zinc/28/81/13/349288113.db2.gz SDVRRBLXVSOKGP-VIFPVBQESA-N 2 2 274.390 0.009 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000081095424 349246070 /nfs/dbraw/zinc/24/60/70/349246070.db2.gz YWJIDMBKYDRIJI-RYUDHWBXSA-N 2 2 284.404 0.494 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000081095424 349246072 /nfs/dbraw/zinc/24/60/72/349246072.db2.gz YWJIDMBKYDRIJI-RYUDHWBXSA-N 2 2 284.404 0.494 20 0 CCADLP CCNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000081095424 349246074 /nfs/dbraw/zinc/24/60/74/349246074.db2.gz YWJIDMBKYDRIJI-RYUDHWBXSA-N 2 2 284.404 0.494 20 0 CCADLP CCNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000081095424 349246076 /nfs/dbraw/zinc/24/60/76/349246076.db2.gz YWJIDMBKYDRIJI-RYUDHWBXSA-N 2 2 284.404 0.494 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CCNS(C)(=O)=O)[C@H](C)C1 ZINC000081097051 349246326 /nfs/dbraw/zinc/24/63/26/349246326.db2.gz NOIVNQRPTRDXGM-VXGBXAGGSA-N 2 2 277.434 0.198 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CCNS(C)(=O)=O)[C@H](C)C1 ZINC000081097051 349246328 /nfs/dbraw/zinc/24/63/28/349246328.db2.gz NOIVNQRPTRDXGM-VXGBXAGGSA-N 2 2 277.434 0.198 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CCNS(C)(=O)=O)[C@H](C)C1 ZINC000081097051 349246330 /nfs/dbraw/zinc/24/63/30/349246330.db2.gz NOIVNQRPTRDXGM-VXGBXAGGSA-N 2 2 277.434 0.198 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CCNS(C)(=O)=O)[C@H](C)C1 ZINC000081097051 349246332 /nfs/dbraw/zinc/24/63/32/349246332.db2.gz NOIVNQRPTRDXGM-VXGBXAGGSA-N 2 2 277.434 0.198 20 0 CCADLP CC[NH+]1CCN(CC(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000081257326 349253026 /nfs/dbraw/zinc/25/30/26/349253026.db2.gz MKZZWVRKBQXXLV-ZDUSSCGKSA-N 2 2 279.388 0.025 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000081338565 349258169 /nfs/dbraw/zinc/25/81/69/349258169.db2.gz DVBREEARFRGFNN-RYUDHWBXSA-N 2 2 278.356 0.446 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000081338565 349258171 /nfs/dbraw/zinc/25/81/71/349258171.db2.gz DVBREEARFRGFNN-RYUDHWBXSA-N 2 2 278.356 0.446 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000081338459 349258720 /nfs/dbraw/zinc/25/87/20/349258720.db2.gz OCTMXDKYDOMXJX-CABCVRRESA-N 2 2 295.427 0.794 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000081338459 349258723 /nfs/dbraw/zinc/25/87/23/349258723.db2.gz OCTMXDKYDOMXJX-CABCVRRESA-N 2 2 295.427 0.794 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000087524912 349351324 /nfs/dbraw/zinc/35/13/24/349351324.db2.gz WEWVDJWGXIFXPW-HNNXBMFYSA-N 2 2 290.411 0.957 20 0 CCADLP CC(=O)N1CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000088397270 349367668 /nfs/dbraw/zinc/36/76/68/349367668.db2.gz URSAZACSFGJKOS-HOTGVXAUSA-N 2 2 291.395 0.081 20 0 CCADLP O=C(NCc1c[nH+]c[nH]1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000088751095 349370751 /nfs/dbraw/zinc/37/07/51/349370751.db2.gz WIUPVAIQLUWQCK-ZDUSSCGKSA-N 2 2 256.309 0.740 20 0 CCADLP O=C(NCc1c[nH]c[nH+]1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000088751095 349370752 /nfs/dbraw/zinc/37/07/52/349370752.db2.gz WIUPVAIQLUWQCK-ZDUSSCGKSA-N 2 2 256.309 0.740 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2ccccc2Cl)[C@H](C[NH3+])C1 ZINC000120757538 350004385 /nfs/dbraw/zinc/00/43/85/350004385.db2.gz KULGGEGYDIBEPE-GFCCVEGCSA-N 2 2 281.787 0.984 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2ccccc2Cl)[C@H](C[NH3+])C1 ZINC000120757538 350004389 /nfs/dbraw/zinc/00/43/89/350004389.db2.gz KULGGEGYDIBEPE-GFCCVEGCSA-N 2 2 281.787 0.984 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000121470843 350041092 /nfs/dbraw/zinc/04/10/92/350041092.db2.gz HNHJPYSLRFXJMC-UHFFFAOYSA-N 2 2 287.367 0.854 20 0 CCADLP CNC(=O)NC(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123827680 350084065 /nfs/dbraw/zinc/08/40/65/350084065.db2.gz SXFWEQVSKJTKNA-LLVKDONJSA-N 2 2 293.371 0.130 20 0 CCADLP CNC(=O)NC(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123827680 350084068 /nfs/dbraw/zinc/08/40/68/350084068.db2.gz SXFWEQVSKJTKNA-LLVKDONJSA-N 2 2 293.371 0.130 20 0 CCADLP COc1ccccc1CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000124316993 350095828 /nfs/dbraw/zinc/09/58/28/350095828.db2.gz BQWJBHCZNZOGME-CYBMUJFWSA-N 2 2 277.368 0.339 20 0 CCADLP COc1ccccc1CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000124316993 350095832 /nfs/dbraw/zinc/09/58/32/350095832.db2.gz BQWJBHCZNZOGME-CYBMUJFWSA-N 2 2 277.368 0.339 20 0 CCADLP CN(CC[N@H+](C)CC(=O)NC(C)(C)C)C1CC[NH+](C)CC1 ZINC000126440449 350146477 /nfs/dbraw/zinc/14/64/77/350146477.db2.gz VEBSJVQCMLKXNI-UHFFFAOYSA-N 2 2 298.475 0.859 20 0 CCADLP CN(CC[N@@H+](C)CC(=O)NC(C)(C)C)C1CC[NH+](C)CC1 ZINC000126440449 350146479 /nfs/dbraw/zinc/14/64/79/350146479.db2.gz VEBSJVQCMLKXNI-UHFFFAOYSA-N 2 2 298.475 0.859 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)NC(C)(C)C ZINC000126440449 350146481 /nfs/dbraw/zinc/14/64/81/350146481.db2.gz VEBSJVQCMLKXNI-UHFFFAOYSA-N 2 2 298.475 0.859 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)NC(C)(C)C ZINC000126440449 350146484 /nfs/dbraw/zinc/14/64/84/350146484.db2.gz VEBSJVQCMLKXNI-UHFFFAOYSA-N 2 2 298.475 0.859 20 0 CCADLP C[NH+](C)CCCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271305705 191063341 /nfs/dbraw/zinc/06/33/41/191063341.db2.gz JWTGXMNHRBTBNS-UHFFFAOYSA-N 2 2 273.340 0.949 20 0 CCADLP C[C@H](CNc1cc(N2CCC[C@H]2CO)[nH+]cn1)[NH+](C)C ZINC000271327871 191076185 /nfs/dbraw/zinc/07/61/85/191076185.db2.gz PTQOQLWHPFBFTF-NEPJUHHUSA-N 2 2 279.388 0.800 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NC(=O)NC1CCCC1 ZINC000129065199 350204087 /nfs/dbraw/zinc/20/40/87/350204087.db2.gz VUWBRHXZOKBUAB-GHMZBOCLSA-N 2 2 282.388 0.566 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NC(=O)NC1CCCC1 ZINC000129065199 350204090 /nfs/dbraw/zinc/20/40/90/350204090.db2.gz VUWBRHXZOKBUAB-GHMZBOCLSA-N 2 2 282.388 0.566 20 0 CCADLP CN(C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)C1CC1 ZINC000129248661 350209254 /nfs/dbraw/zinc/20/92/54/350209254.db2.gz UXUHKAOLDALNSV-CYBMUJFWSA-N 2 2 281.400 0.261 20 0 CCADLP CN(C(=O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)C1CC1 ZINC000129248661 350209257 /nfs/dbraw/zinc/20/92/57/350209257.db2.gz UXUHKAOLDALNSV-CYBMUJFWSA-N 2 2 281.400 0.261 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCOC[C@@H]1CCCO1 ZINC000133464424 350336562 /nfs/dbraw/zinc/33/65/62/350336562.db2.gz TYULSPJRSBNQTM-KFWWJZLASA-N 2 2 286.416 0.929 20 0 CCADLP COc1c(N)[nH+]cnc1N1CCC[C@H]([NH+](C)C)C1 ZINC000134913363 350379485 /nfs/dbraw/zinc/37/94/85/350379485.db2.gz DBWGJXKRUHQARF-VIFPVBQESA-N 2 2 251.334 0.598 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139819812 350448681 /nfs/dbraw/zinc/44/86/81/350448681.db2.gz GDQVPSGIELKYDK-JHJVBQTASA-N 2 2 296.415 0.637 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139819812 350448683 /nfs/dbraw/zinc/44/86/83/350448683.db2.gz GDQVPSGIELKYDK-JHJVBQTASA-N 2 2 296.415 0.637 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139819812 350448684 /nfs/dbraw/zinc/44/86/84/350448684.db2.gz GDQVPSGIELKYDK-JHJVBQTASA-N 2 2 296.415 0.637 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139819812 350448686 /nfs/dbraw/zinc/44/86/86/350448686.db2.gz GDQVPSGIELKYDK-JHJVBQTASA-N 2 2 296.415 0.637 20 0 CCADLP CCn1cc[nH+]c1CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000106387113 186113439 /nfs/dbraw/zinc/11/34/39/186113439.db2.gz DGXLLCNLXRHQEZ-LBPRGKRZSA-N 2 2 252.362 0.665 20 0 CCADLP [NH3+]C1(C(=O)N2CC[NH+](Cc3ccccn3)CC2)CCC1 ZINC000147861358 350470912 /nfs/dbraw/zinc/47/09/12/350470912.db2.gz RIULHHJNXVURPT-UHFFFAOYSA-N 2 2 274.368 0.607 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000151576414 350504456 /nfs/dbraw/zinc/50/44/56/350504456.db2.gz PXOFKCSIXJGRDY-TZMCWYRMSA-N 2 2 276.384 0.902 20 0 CCADLP CC[C@](C)(O)C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000154569281 350592883 /nfs/dbraw/zinc/59/28/83/350592883.db2.gz BSMUXPTUQOTQHR-INIZCTEOSA-N 2 2 299.459 0.534 20 0 CCADLP CC[C@](C)(O)C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000154569281 350592885 /nfs/dbraw/zinc/59/28/85/350592885.db2.gz BSMUXPTUQOTQHR-INIZCTEOSA-N 2 2 299.459 0.534 20 0 CCADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)N(C)Cc2[nH]cc[nH+]2)C1(C)C ZINC000157313881 350643431 /nfs/dbraw/zinc/64/34/31/350643431.db2.gz NGZVTSVAIOSRIC-YGRLFVJLSA-N 2 2 280.372 0.901 20 0 CCADLP C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000159861077 350690099 /nfs/dbraw/zinc/69/00/99/350690099.db2.gz VSKBNPLPQWKLCJ-DTWKUNHWSA-N 2 2 267.295 0.724 20 0 CCADLP C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000159861077 350690101 /nfs/dbraw/zinc/69/01/01/350690101.db2.gz VSKBNPLPQWKLCJ-DTWKUNHWSA-N 2 2 267.295 0.724 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000163182286 350761642 /nfs/dbraw/zinc/76/16/42/350761642.db2.gz YMIRGVZKVDJMFA-VHSXEESVSA-N 2 2 278.381 0.925 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000163182286 350761644 /nfs/dbraw/zinc/76/16/44/350761644.db2.gz YMIRGVZKVDJMFA-VHSXEESVSA-N 2 2 278.381 0.925 20 0 CCADLP COC(=O)CC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000168220203 350822106 /nfs/dbraw/zinc/82/21/06/350822106.db2.gz ULRVHUOLNCMYDM-UHFFFAOYSA-N 2 2 252.318 0.105 20 0 CCADLP CCN(CC)c1ccc(CNC(=O)[C@@H](C)[NH3+])c[nH+]1 ZINC000164666130 350781892 /nfs/dbraw/zinc/78/18/92/350781892.db2.gz PDHXMCDKBWQJCT-SNVBAGLBSA-N 2 2 250.346 0.891 20 0 CCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)[C@@H]1CSC[NH2+]1 ZINC000165266256 350788407 /nfs/dbraw/zinc/78/84/07/350788407.db2.gz BODTZHCTVYPASL-NSHDSACASA-N 2 2 280.397 0.541 20 0 CCADLP C[C@]1(C(=O)NCCCNc2cccc[nH+]2)CC[NH2+]C1 ZINC000165236967 350788723 /nfs/dbraw/zinc/78/87/23/350788723.db2.gz WLKBGIXBWWUWTG-AWEZNQCLSA-N 2 2 262.357 0.999 20 0 CCADLP O=C(NCCCNc1cccc[nH+]1)[C@]1(F)CC[NH2+]C1 ZINC000165243500 350788902 /nfs/dbraw/zinc/78/89/02/350788902.db2.gz FXUXCNZGYMNBLR-ZDUSSCGKSA-N 2 2 266.320 0.701 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C1(OC)CC[NH2+]CC1 ZINC000166577302 350799278 /nfs/dbraw/zinc/79/92/78/350799278.db2.gz WBXOWUWRYDSUSZ-UHFFFAOYSA-N 2 2 265.313 0.797 20 0 CCADLP O=C([C@H]1CSC[NH2+]1)N1CCC(n2cc[nH+]c2)CC1 ZINC000166570343 350799682 /nfs/dbraw/zinc/79/96/82/350799682.db2.gz SJFCODZUTMWFQC-LLVKDONJSA-N 2 2 266.370 0.709 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000166576207 350799775 /nfs/dbraw/zinc/79/97/75/350799775.db2.gz JQDQJEISROZZLJ-SECBINFHSA-N 2 2 251.286 0.407 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)[C@@H]3CSC[NH2+]3)cn21 ZINC000168498109 350827303 /nfs/dbraw/zinc/82/73/03/350827303.db2.gz NPNWTRUBGVFKRT-NSHDSACASA-N 2 2 276.365 0.921 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000174505178 351088771 /nfs/dbraw/zinc/08/87/71/351088771.db2.gz AGSCAUFOEWDOIU-CYBMUJFWSA-N 2 2 288.351 0.324 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000174505178 351088772 /nfs/dbraw/zinc/08/87/72/351088772.db2.gz AGSCAUFOEWDOIU-CYBMUJFWSA-N 2 2 288.351 0.324 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000178667482 351239440 /nfs/dbraw/zinc/23/94/40/351239440.db2.gz XTVAFUCOKZESIT-UONOGXRCSA-N 3 2 282.432 0.223 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000178667482 351239441 /nfs/dbraw/zinc/23/94/41/351239441.db2.gz XTVAFUCOKZESIT-UONOGXRCSA-N 3 2 282.432 0.223 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)C[C@H]1[NH+]1CCOCC1 ZINC000178860102 351249353 /nfs/dbraw/zinc/24/93/53/351249353.db2.gz JYUKQBVOQMGNMN-MGPQQGTHSA-N 2 2 281.400 0.165 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000178861581 351249657 /nfs/dbraw/zinc/24/96/57/351249657.db2.gz RNFFBEUSRGQZRL-RWMBFGLXSA-N 2 2 269.389 0.021 20 0 CCADLP CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000179162560 351260155 /nfs/dbraw/zinc/26/01/55/351260155.db2.gz DGLKMYLBGQKKAO-FUNVUKJBSA-N 2 2 266.389 0.569 20 0 CCADLP CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000179162560 351260157 /nfs/dbraw/zinc/26/01/57/351260157.db2.gz DGLKMYLBGQKKAO-FUNVUKJBSA-N 2 2 266.389 0.569 20 0 CCADLP CCC[C@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181026101 351299344 /nfs/dbraw/zinc/29/93/44/351299344.db2.gz BKXUNMWZKTVEIE-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1CCCn1cc[nH+]c1 ZINC000182779215 351369156 /nfs/dbraw/zinc/36/91/56/351369156.db2.gz BFNCLACCSODTOX-VXGBXAGGSA-N 2 2 267.329 0.536 20 0 CCADLP COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000182779215 351369159 /nfs/dbraw/zinc/36/91/59/351369159.db2.gz BFNCLACCSODTOX-VXGBXAGGSA-N 2 2 267.329 0.536 20 0 CCADLP CC(C)Cn1cc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cn1 ZINC000181810831 351338327 /nfs/dbraw/zinc/33/83/27/351338327.db2.gz IRRNDEAMMZCZRF-AWEZNQCLSA-N 2 2 268.405 0.941 20 0 CCADLP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N)C[C@@H]1[NH+]1CCOCC1 ZINC000188269325 351584274 /nfs/dbraw/zinc/58/42/74/351584274.db2.gz SJEUWSFURHFYFV-RISCZKNCSA-N 2 2 290.367 0.457 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(CC[NH+]2CCOC[C@@H]2C)C[C@@H]1C ZINC000191482901 351760103 /nfs/dbraw/zinc/76/01/03/351760103.db2.gz TUUOMAMOZCLPSL-SOUVJXGZSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(CC[NH+]2CCOC[C@@H]2C)C[C@@H]1C ZINC000191482901 351760106 /nfs/dbraw/zinc/76/01/06/351760106.db2.gz TUUOMAMOZCLPSL-SOUVJXGZSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(CC[N@@H+]2CCOC[C@@H]2C)C[C@@H]1C ZINC000191482901 351760108 /nfs/dbraw/zinc/76/01/08/351760108.db2.gz TUUOMAMOZCLPSL-SOUVJXGZSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(CC[N@H+]2CCOC[C@@H]2C)C[C@@H]1C ZINC000191482901 351760110 /nfs/dbraw/zinc/76/01/10/351760110.db2.gz TUUOMAMOZCLPSL-SOUVJXGZSA-N 2 2 285.432 0.094 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(CC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000191516280 351761892 /nfs/dbraw/zinc/76/18/92/351761892.db2.gz BSWVXKFFDNRKNP-CABCVRRESA-N 2 2 285.432 0.096 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(CC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000191516280 351761897 /nfs/dbraw/zinc/76/18/97/351761897.db2.gz BSWVXKFFDNRKNP-CABCVRRESA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H]([NH3+])CCC(=O)NCc1ccc[nH+]c1N(C)C ZINC000193298703 351821203 /nfs/dbraw/zinc/82/12/03/351821203.db2.gz IFADKTCNYSULKS-JTQLQIEISA-N 2 2 250.346 0.891 20 0 CCADLP CCn1ncnc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000193310942 351821909 /nfs/dbraw/zinc/82/19/09/351821909.db2.gz ZGYLEKSTCNEPDR-UHFFFAOYSA-N 2 2 293.415 0.842 20 0 CCADLP C[C@@H](C(N)=O)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195278681 351906925 /nfs/dbraw/zinc/90/69/25/351906925.db2.gz YLTCBIKBOYYIRH-GXTWGEPZSA-N 2 2 276.384 0.709 20 0 CCADLP C[C@@H](C(N)=O)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195278681 351906928 /nfs/dbraw/zinc/90/69/28/351906928.db2.gz YLTCBIKBOYYIRH-GXTWGEPZSA-N 2 2 276.384 0.709 20 0 CCADLP C[C@@H](C(N)=O)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195278681 351906932 /nfs/dbraw/zinc/90/69/32/351906932.db2.gz YLTCBIKBOYYIRH-GXTWGEPZSA-N 2 2 276.384 0.709 20 0 CCADLP C[C@@H](C(N)=O)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195278681 351906934 /nfs/dbraw/zinc/90/69/34/351906934.db2.gz YLTCBIKBOYYIRH-GXTWGEPZSA-N 2 2 276.384 0.709 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000227458060 352051336 /nfs/dbraw/zinc/05/13/36/352051336.db2.gz HIKCCYKCYQJOBR-UTUOFQBUSA-N 2 2 250.346 0.776 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000226043066 352018676 /nfs/dbraw/zinc/01/86/76/352018676.db2.gz CKIOJRWXTLCWEG-AVGNSLFASA-N 2 2 260.378 0.083 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000226043066 352018678 /nfs/dbraw/zinc/01/86/78/352018678.db2.gz CKIOJRWXTLCWEG-AVGNSLFASA-N 2 2 260.378 0.083 20 0 CCADLP CC(C)n1cc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cn1 ZINC000226244546 352020787 /nfs/dbraw/zinc/02/07/87/352020787.db2.gz KLDXLEDKOZOLQQ-CQSZACIVSA-N 2 2 265.405 0.799 20 0 CCADLP CC(C)n1cc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cn1 ZINC000226244546 352020791 /nfs/dbraw/zinc/02/07/91/352020791.db2.gz KLDXLEDKOZOLQQ-CQSZACIVSA-N 2 2 265.405 0.799 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000228722288 352082957 /nfs/dbraw/zinc/08/29/57/352082957.db2.gz ZBBQXHZNQOHJFI-OAHLLOKOSA-N 2 2 289.383 0.874 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCc2ccccc2)[C@@H](C[NH3+])C1 ZINC000232307154 352143688 /nfs/dbraw/zinc/14/36/88/352143688.db2.gz XCDYUUJKTAIIIY-ZDUSSCGKSA-N 2 2 262.357 0.471 20 0 CCADLP C[N@H+]1CCN(C(=O)NCc2ccccc2)[C@@H](C[NH3+])C1 ZINC000232307154 352143689 /nfs/dbraw/zinc/14/36/89/352143689.db2.gz XCDYUUJKTAIIIY-ZDUSSCGKSA-N 2 2 262.357 0.471 20 0 CCADLP CC[NH2+]CCNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000237002479 352235124 /nfs/dbraw/zinc/23/51/24/352235124.db2.gz ZTXLHQCCGTYXDX-UHFFFAOYSA-N 2 2 259.313 0.607 20 0 CCADLP O=C(NCC[C@H]1CC[NH2+]C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655414856 412562598 /nfs/dbraw/zinc/56/25/98/412562598.db2.gz VMIONAGDZNYCJP-VXGBXAGGSA-N 2 2 262.357 0.561 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000603435727 363132426 /nfs/dbraw/zinc/13/24/26/363132426.db2.gz YUJHKABDKKSXPQ-WYUUTHIRSA-N 2 2 284.404 0.668 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000603435727 363132430 /nfs/dbraw/zinc/13/24/30/363132430.db2.gz YUJHKABDKKSXPQ-WYUUTHIRSA-N 2 2 284.404 0.668 20 0 CCADLP C[C@H]([C@H](C)NC(=O)c1csc(C[NH3+])n1)[NH+]1CCOCC1 ZINC000237459909 352265666 /nfs/dbraw/zinc/26/56/66/352265666.db2.gz CHZAIRXTTKGVMZ-VHSXEESVSA-N 2 2 298.412 0.441 20 0 CCADLP CN1CC[C@H]([N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1=O ZINC000246185453 352352895 /nfs/dbraw/zinc/35/28/95/352352895.db2.gz LHPPWNQTQHNDTJ-STQMWFEESA-N 2 2 251.374 0.635 20 0 CCADLP CN1CC[C@H]([N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1=O ZINC000246185453 352352899 /nfs/dbraw/zinc/35/28/99/352352899.db2.gz LHPPWNQTQHNDTJ-STQMWFEESA-N 2 2 251.374 0.635 20 0 CCADLP C[C@]1(CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CCC[NH2+]C1 ZINC000418251748 234040008 /nfs/dbraw/zinc/04/00/08/234040008.db2.gz YCUBPCFGTKCGDI-NHYWBVRUSA-N 2 2 291.399 0.956 20 0 CCADLP C[C@]1(CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CCC[NH2+]C1 ZINC000418251748 234040012 /nfs/dbraw/zinc/04/00/12/234040012.db2.gz YCUBPCFGTKCGDI-NHYWBVRUSA-N 2 2 291.399 0.956 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)CC1 ZINC000245527994 352327249 /nfs/dbraw/zinc/32/72/49/352327249.db2.gz DMCSUGNXTLNQLM-GJZGRUSLSA-N 3 2 294.443 0.177 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)CC1 ZINC000245527994 352327250 /nfs/dbraw/zinc/32/72/50/352327250.db2.gz DMCSUGNXTLNQLM-GJZGRUSLSA-N 3 2 294.443 0.177 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000245527994 352327252 /nfs/dbraw/zinc/32/72/52/352327252.db2.gz DMCSUGNXTLNQLM-GJZGRUSLSA-N 3 2 294.443 0.177 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000245527994 352327254 /nfs/dbraw/zinc/32/72/54/352327254.db2.gz DMCSUGNXTLNQLM-GJZGRUSLSA-N 3 2 294.443 0.177 20 0 CCADLP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655417220 412564188 /nfs/dbraw/zinc/56/41/88/412564188.db2.gz GMRCJOPHUDKHIY-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246155930 352351013 /nfs/dbraw/zinc/35/10/13/352351013.db2.gz GTRYDZFABTWHMK-STQMWFEESA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246155930 352351015 /nfs/dbraw/zinc/35/10/15/352351015.db2.gz GTRYDZFABTWHMK-STQMWFEESA-N 2 2 297.399 0.082 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC000246312491 352360628 /nfs/dbraw/zinc/36/06/28/352360628.db2.gz CPYGCIWFMMSBFR-HZSPNIEDSA-N 2 2 281.400 0.402 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC000246312491 352360630 /nfs/dbraw/zinc/36/06/30/352360630.db2.gz CPYGCIWFMMSBFR-HZSPNIEDSA-N 2 2 281.400 0.402 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000246312491 352360633 /nfs/dbraw/zinc/36/06/33/352360633.db2.gz CPYGCIWFMMSBFR-HZSPNIEDSA-N 2 2 281.400 0.402 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000246312491 352360635 /nfs/dbraw/zinc/36/06/35/352360635.db2.gz CPYGCIWFMMSBFR-HZSPNIEDSA-N 2 2 281.400 0.402 20 0 CCADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000246360614 352362309 /nfs/dbraw/zinc/36/23/09/352362309.db2.gz XXXXJLJWJOJMIB-KFWWJZLASA-N 2 2 295.427 0.698 20 0 CCADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NC(=O)NC3CC3)CC[C@H]21 ZINC000247945477 352427631 /nfs/dbraw/zinc/42/76/31/352427631.db2.gz DMEGYUJPUHLMQH-DGCLKSJQSA-N 2 2 294.399 0.391 20 0 CCADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NC(=O)NC3CC3)CC[C@H]21 ZINC000247945477 352427636 /nfs/dbraw/zinc/42/76/36/352427636.db2.gz DMEGYUJPUHLMQH-DGCLKSJQSA-N 2 2 294.399 0.391 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NC(=O)NC3CC3)CC[C@H]21 ZINC000247945477 352427641 /nfs/dbraw/zinc/42/76/41/352427641.db2.gz DMEGYUJPUHLMQH-DGCLKSJQSA-N 2 2 294.399 0.391 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NC(=O)NC3CC3)CC[C@H]21 ZINC000247945477 352427646 /nfs/dbraw/zinc/42/76/46/352427646.db2.gz DMEGYUJPUHLMQH-DGCLKSJQSA-N 2 2 294.399 0.391 20 0 CCADLP CC[C@]1(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CCC[NH2+]1 ZINC000248758865 352457666 /nfs/dbraw/zinc/45/76/66/352457666.db2.gz VQECUENQLVEYEU-VNHYZAJKSA-N 2 2 283.416 0.744 20 0 CCADLP O=C(NCCCCNc1cccc[nH+]1)N[C@@H]1CC[NH2+]C1 ZINC000418392511 234100700 /nfs/dbraw/zinc/10/07/00/234100700.db2.gz WLLKABNAVYZSKX-GFCCVEGCSA-N 2 2 277.372 0.935 20 0 CCADLP CC[C@](C)(O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000249290736 352484421 /nfs/dbraw/zinc/48/44/21/352484421.db2.gz AIVHQZCNRGVIBK-KBPBESRZSA-N 2 2 256.390 0.802 20 0 CCADLP CC[C@](C)(O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000249290736 352484424 /nfs/dbraw/zinc/48/44/24/352484424.db2.gz AIVHQZCNRGVIBK-KBPBESRZSA-N 2 2 256.390 0.802 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250814553 352508073 /nfs/dbraw/zinc/50/80/73/352508073.db2.gz DYQLKISUACKJJB-CABCVRRESA-N 2 2 267.417 0.925 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000253225393 352529668 /nfs/dbraw/zinc/52/96/68/352529668.db2.gz IIJPLGRJFMHHKL-JVLSTEMRSA-N 2 2 292.383 0.901 20 0 CCADLP C[NH2+]CCC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000262541575 352587098 /nfs/dbraw/zinc/58/70/98/352587098.db2.gz NHXSAKYIFBVJRH-HNNXBMFYSA-N 2 2 291.395 0.786 20 0 CCADLP C[C@H]1CN(C(=O)C2([NH3+])CCCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000262651752 352589053 /nfs/dbraw/zinc/58/90/53/352589053.db2.gz RMPSSWHZJWYUOS-KBPBESRZSA-N 2 2 295.427 0.827 20 0 CCADLP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000263041440 352591861 /nfs/dbraw/zinc/59/18/61/352591861.db2.gz SWTCOKGPLUKPGW-VHSXEESVSA-N 2 2 259.300 0.290 20 0 CCADLP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000263041440 352591867 /nfs/dbraw/zinc/59/18/67/352591867.db2.gz SWTCOKGPLUKPGW-VHSXEESVSA-N 2 2 259.300 0.290 20 0 CCADLP C[C@H]1CCS(=O)(=O)CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261690348 352563305 /nfs/dbraw/zinc/56/33/05/352563305.db2.gz HMPYJDBFCGHTBC-NSHDSACASA-N 2 2 260.403 0.495 20 0 CCADLP C[C@H]1CCS(=O)(=O)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000261690348 352563308 /nfs/dbraw/zinc/56/33/08/352563308.db2.gz HMPYJDBFCGHTBC-NSHDSACASA-N 2 2 260.403 0.495 20 0 CCADLP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000262019196 352569398 /nfs/dbraw/zinc/56/93/98/352569398.db2.gz WJYRDIPHWIYWEP-RBSFLKMASA-N 3 2 278.400 0.938 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000262022398 352569854 /nfs/dbraw/zinc/56/98/54/352569854.db2.gz OXBAADMESXFNDA-NEPJUHHUSA-N 2 2 280.372 0.662 20 0 CCADLP Cc1nc([C@@H]2CCC[N@@H+]2CCC(=O)N2CC[NH2+]CC2)no1 ZINC000262029754 352571093 /nfs/dbraw/zinc/57/10/93/352571093.db2.gz GUIBKKWBSIXLDD-LBPRGKRZSA-N 2 2 293.371 0.337 20 0 CCADLP Cc1nc([C@@H]2CCC[N@H+]2CCC(=O)N2CC[NH2+]CC2)no1 ZINC000262029754 352571096 /nfs/dbraw/zinc/57/10/96/352571096.db2.gz GUIBKKWBSIXLDD-LBPRGKRZSA-N 2 2 293.371 0.337 20 0 CCADLP Cn1ncc(Cl)c1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262107257 352578884 /nfs/dbraw/zinc/57/88/84/352578884.db2.gz JVTJWCZXZQJHJK-LLVKDONJSA-N 2 2 283.807 0.553 20 0 CCADLP Cn1ncc(Cl)c1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262107257 352578887 /nfs/dbraw/zinc/57/88/87/352578887.db2.gz JVTJWCZXZQJHJK-LLVKDONJSA-N 2 2 283.807 0.553 20 0 CCADLP CN(C(=O)CCn1cc[nH+]c1)[C@@H]1CCC[N@H+](C)C1 ZINC000266220462 352690523 /nfs/dbraw/zinc/69/05/23/352690523.db2.gz ZFXGWUFSEIYTGW-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP CN(C(=O)CCn1cc[nH+]c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000266220462 352690524 /nfs/dbraw/zinc/69/05/24/352690524.db2.gz ZFXGWUFSEIYTGW-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000418562410 234167613 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C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000335865755 355031847 /nfs/dbraw/zinc/03/18/47/355031847.db2.gz QJDNIHQDHVOARV-CHWSQXEVSA-N 2 2 266.389 0.570 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000335865755 355031851 /nfs/dbraw/zinc/03/18/51/355031851.db2.gz QJDNIHQDHVOARV-CHWSQXEVSA-N 2 2 266.389 0.570 20 0 CCADLP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000335811106 355017883 /nfs/dbraw/zinc/01/78/83/355017883.db2.gz VBRHHIKUFVNWPM-NWDGAFQWSA-N 2 2 287.354 0.832 20 0 CCADLP [NH3+]C[C@H]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000423766238 235067342 /nfs/dbraw/zinc/06/73/42/235067342.db2.gz YAIBITMSVPNIDF-MRVWCRGKSA-N 2 2 281.400 0.341 20 0 CCADLP [NH3+]C[C@H]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000423766238 235067347 /nfs/dbraw/zinc/06/73/47/235067347.db2.gz YAIBITMSVPNIDF-MRVWCRGKSA-N 2 2 281.400 0.341 20 0 CCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@H]1CCCC[NH2+]1 ZINC000423802910 235086896 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C[N@H+](Cc1cn2cc(Cl)ccc2n1)C[C@H](O)C[NH3+] ZINC000336795385 355168012 /nfs/dbraw/zinc/16/80/12/355168012.db2.gz KCURDSKUCDJTSK-LLVKDONJSA-N 2 2 268.748 0.739 20 0 CCADLP CC[N@H+](C)C[C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000336687657 355135167 /nfs/dbraw/zinc/13/51/67/355135167.db2.gz AXUYNWZPANZMGV-AWEZNQCLSA-N 2 2 255.406 0.592 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000336687657 355135169 /nfs/dbraw/zinc/13/51/69/355135169.db2.gz AXUYNWZPANZMGV-AWEZNQCLSA-N 2 2 255.406 0.592 20 0 CCADLP C[C@H](O)CC[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000336701374 355140775 /nfs/dbraw/zinc/14/07/75/355140775.db2.gz DXHPWONGPQUJBE-STQMWFEESA-N 2 2 256.390 0.942 20 0 CCADLP C[C@H](O)CC[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000336701374 355140779 /nfs/dbraw/zinc/14/07/79/355140779.db2.gz DXHPWONGPQUJBE-STQMWFEESA-N 2 2 256.390 0.942 20 0 CCADLP CC(C)[C@H](O)C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000336845454 355214302 /nfs/dbraw/zinc/21/43/02/355214302.db2.gz BDZCRMLMKPYAGQ-CYBMUJFWSA-N 2 2 293.415 0.682 20 0 CCADLP O=C1NCCC[C@H]1[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000336825824 355200356 /nfs/dbraw/zinc/20/03/56/355200356.db2.gz ZVJVHUUKUFXWNM-UONOGXRCSA-N 2 2 281.400 0.309 20 0 CCADLP O=C1NCCC[C@H]1[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000336825824 355200359 /nfs/dbraw/zinc/20/03/59/355200359.db2.gz ZVJVHUUKUFXWNM-UONOGXRCSA-N 2 2 281.400 0.309 20 0 CCADLP COC[C@@H](C)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000336827429 355202601 /nfs/dbraw/zinc/20/26/01/355202601.db2.gz NUKGQGPSRYYFGK-GFCCVEGCSA-N 2 2 279.388 0.700 20 0 CCADLP COCCN1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000336889595 355220336 /nfs/dbraw/zinc/22/03/36/355220336.db2.gz GJPGYBVNPOVVFC-AWEZNQCLSA-N 2 2 267.417 0.924 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H](CN2CCOCC2)C1)C1CC1 ZINC000336850161 355217047 /nfs/dbraw/zinc/21/70/47/355217047.db2.gz VUGLNRLHJHQMRS-HOCLYGCPSA-N 2 2 297.443 0.096 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H](CN2CCOCC2)C1)C1CC1 ZINC000336850161 355217049 /nfs/dbraw/zinc/21/70/49/355217049.db2.gz VUGLNRLHJHQMRS-HOCLYGCPSA-N 2 2 297.443 0.096 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H](CN2CCOCC2)C1)C1CC1 ZINC000336850161 355217050 /nfs/dbraw/zinc/21/70/50/355217050.db2.gz VUGLNRLHJHQMRS-HOCLYGCPSA-N 2 2 297.443 0.096 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H](CN2CCOCC2)C1)C1CC1 ZINC000336850161 355217052 /nfs/dbraw/zinc/21/70/52/355217052.db2.gz VUGLNRLHJHQMRS-HOCLYGCPSA-N 2 2 297.443 0.096 20 0 CCADLP C[C@@H](O)C[N@H+](C)C1CC[NH+](CCN2CCOC[C@@H]2C)CC1 ZINC000337147551 355273547 /nfs/dbraw/zinc/27/35/47/355273547.db2.gz ZHEJOXSIQMPKOE-LSDHHAIUSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+](CCN2CCOC[C@@H]2C)CC1 ZINC000337147551 355273548 /nfs/dbraw/zinc/27/35/48/355273548.db2.gz ZHEJOXSIQMPKOE-LSDHHAIUSA-N 2 2 299.459 0.484 20 0 CCADLP Cn1cc([C@@H]2C[N@H+](C[C@@H]3CCSC3)C[C@H]2[NH3+])cn1 ZINC000424373034 235200885 /nfs/dbraw/zinc/20/08/85/235200885.db2.gz GJCIQJITMPVPLQ-WCFLWFBJSA-N 2 2 266.414 0.900 20 0 CCADLP Cn1cc([C@@H]2C[N@@H+](C[C@@H]3CCSC3)C[C@H]2[NH3+])cn1 ZINC000424373034 235200888 /nfs/dbraw/zinc/20/08/88/235200888.db2.gz GJCIQJITMPVPLQ-WCFLWFBJSA-N 2 2 266.414 0.900 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000338328267 355322783 /nfs/dbraw/zinc/32/27/83/355322783.db2.gz ZVBPHHNKCVVGEU-AAEUAGOBSA-N 2 2 289.445 0.198 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000338328267 355322785 /nfs/dbraw/zinc/32/27/85/355322785.db2.gz ZVBPHHNKCVVGEU-AAEUAGOBSA-N 2 2 289.445 0.198 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000558641812 291063947 /nfs/dbraw/zinc/06/39/47/291063947.db2.gz GNGKUUAUNXHGCT-CQSZACIVSA-N 2 2 285.351 0.531 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](CCn2cc[nH+]c2C)C[C@H](C)O1 ZINC000338343364 355326604 /nfs/dbraw/zinc/32/66/04/355326604.db2.gz RUOBPZUPJAJABR-JQWIXIFHSA-N 2 2 267.329 0.454 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](CCn2cc[nH+]c2C)C[C@H](C)O1 ZINC000338343364 355326606 /nfs/dbraw/zinc/32/66/06/355326606.db2.gz RUOBPZUPJAJABR-JQWIXIFHSA-N 2 2 267.329 0.454 20 0 CCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000333765255 291065201 /nfs/dbraw/zinc/06/52/01/291065201.db2.gz BEUFEZPVHJJLKE-BFHYXJOUSA-N 2 2 296.415 0.243 20 0 CCADLP CC1(C)OCC[C@@H]1[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000340244446 355536534 /nfs/dbraw/zinc/53/65/34/355536534.db2.gz ZMHJPMVGHVYAKF-HNNXBMFYSA-N 2 2 299.459 0.534 20 0 CCADLP CN(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@@H]1CCOC1 ZINC000340256806 355539947 /nfs/dbraw/zinc/53/99/47/355539947.db2.gz VZAOKVIZMVUHBA-CQSZACIVSA-N 2 2 298.431 0.443 20 0 CCADLP c1nn[nH]c1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000340286193 355548903 /nfs/dbraw/zinc/54/89/03/355548903.db2.gz OGSPWHJDULLPSZ-UHFFFAOYSA-N 2 2 279.388 0.882 20 0 CCADLP c1[nH]nnc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000340286193 355548907 /nfs/dbraw/zinc/54/89/07/355548907.db2.gz OGSPWHJDULLPSZ-UHFFFAOYSA-N 2 2 279.388 0.882 20 0 CCADLP c1n[nH]nc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000340286193 355548909 /nfs/dbraw/zinc/54/89/09/355548909.db2.gz OGSPWHJDULLPSZ-UHFFFAOYSA-N 2 2 279.388 0.882 20 0 CCADLP C[C@@H]1C[N@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@H]1CO ZINC000425337699 235287182 /nfs/dbraw/zinc/28/71/82/235287182.db2.gz NLFWDDPWBYXGOE-MNOVXSKESA-N 2 2 252.362 0.546 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@H]1CO ZINC000425337699 235287186 /nfs/dbraw/zinc/28/71/86/235287186.db2.gz NLFWDDPWBYXGOE-MNOVXSKESA-N 2 2 252.362 0.546 20 0 CCADLP CN(C)C(=O)C1([NH2+]Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000425368432 235289011 /nfs/dbraw/zinc/28/90/11/235289011.db2.gz JXGYBJHAOPZCCD-UHFFFAOYSA-N 2 2 265.361 0.197 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C[NH+](C)C ZINC000341232173 355635981 /nfs/dbraw/zinc/63/59/81/355635981.db2.gz WNWSTKVKHSRHGW-NWDGAFQWSA-N 2 2 264.373 0.759 20 0 CCADLP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+](CCOC)C1 ZINC000341580184 355697576 /nfs/dbraw/zinc/69/75/76/355697576.db2.gz ACBBPJVSXDZMLN-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1CC[N@@H+](CCOC)C1 ZINC000341580184 355697580 /nfs/dbraw/zinc/69/75/80/355697580.db2.gz ACBBPJVSXDZMLN-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCCc1[nH]cc[nH+]1 ZINC000341644660 355710641 /nfs/dbraw/zinc/71/06/41/355710641.db2.gz ROMLFHFFHXVHPO-LLVKDONJSA-N 2 2 266.345 0.037 20 0 CCADLP CC[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@@H]1CCCCO1 ZINC000655525850 412613550 /nfs/dbraw/zinc/61/35/50/412613550.db2.gz UUBXIXOJUYGFPS-AVGNSLFASA-N 2 2 271.405 0.729 20 0 CCADLP Cc1c[nH+]c(CN(CCO)C2CC[NH+](C)CC2)n1C ZINC000342790728 355747925 /nfs/dbraw/zinc/74/79/25/355747925.db2.gz MKKRVCVDIMEDFY-UHFFFAOYSA-N 2 2 266.389 0.617 20 0 CCADLP Cn1cc(C[NH+]2CCN(C(=O)C[C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000427273482 235358346 /nfs/dbraw/zinc/35/83/46/235358346.db2.gz MFOCLKSAZJMTQX-ZDUSSCGKSA-N 2 2 291.399 0.064 20 0 CCADLP O=C(C[C@H]1CC[NH2+]C1)NCc1cn2c([nH+]1)CCCC2 ZINC000427315062 235358832 /nfs/dbraw/zinc/35/88/32/235358832.db2.gz SSSXZPRFQVWCIJ-LLVKDONJSA-N 2 2 262.357 0.835 20 0 CCADLP CCOC[C@H](O)C[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000342821806 355752698 /nfs/dbraw/zinc/75/26/98/355752698.db2.gz ORKSAXDIWAOXPI-CQSZACIVSA-N 2 2 279.384 0.909 20 0 CCADLP COC(=O)CC[C@@H]([NH3+])C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000342736206 355732425 /nfs/dbraw/zinc/73/24/25/355732425.db2.gz MSAHDDIEWKMIFF-LLVKDONJSA-N 2 2 294.355 0.044 20 0 CCADLP COc1cc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c(F)cn1 ZINC000348313811 355911080 /nfs/dbraw/zinc/91/10/80/355911080.db2.gz RSHPPJACQUQBGA-HZMBPMFUSA-N 2 2 283.347 0.947 20 0 CCADLP COc1cc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c(F)cn1 ZINC000348313811 355911083 /nfs/dbraw/zinc/91/10/83/355911083.db2.gz RSHPPJACQUQBGA-HZMBPMFUSA-N 2 2 283.347 0.947 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000348239453 355894527 /nfs/dbraw/zinc/89/45/27/355894527.db2.gz IQEHNLYSXBLPMC-CQSZACIVSA-N 2 2 293.367 0.816 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000348239453 355894533 /nfs/dbraw/zinc/89/45/33/355894533.db2.gz IQEHNLYSXBLPMC-CQSZACIVSA-N 2 2 293.367 0.816 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCc2c[nH+]ccc2OC)C1 ZINC000348252689 355896539 /nfs/dbraw/zinc/89/65/39/355896539.db2.gz BEANZACWIOJZPV-CYBMUJFWSA-N 2 2 279.340 0.427 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NCc2c[nH+]ccc2OC)C1 ZINC000348252689 355896545 /nfs/dbraw/zinc/89/65/45/355896545.db2.gz BEANZACWIOJZPV-CYBMUJFWSA-N 2 2 279.340 0.427 20 0 CCADLP CCCC[N@H+](C)CCNC(=O)NC[C@@H]1CN(C)CC[NH+]1C ZINC000352683641 356052287 /nfs/dbraw/zinc/05/22/87/356052287.db2.gz LANQDHTVGHMGJA-CQSZACIVSA-N 2 2 299.463 0.263 20 0 CCADLP CCCC[N@@H+](C)CCNC(=O)NC[C@@H]1CN(C)CC[NH+]1C ZINC000352683641 356052291 /nfs/dbraw/zinc/05/22/91/356052291.db2.gz LANQDHTVGHMGJA-CQSZACIVSA-N 2 2 299.463 0.263 20 0 CCADLP CCCC[NH+](C)CCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000352683641 356052295 /nfs/dbraw/zinc/05/22/95/356052295.db2.gz LANQDHTVGHMGJA-CQSZACIVSA-N 2 2 299.463 0.263 20 0 CCADLP CCCC[NH+](C)CCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000352683641 356052298 /nfs/dbraw/zinc/05/22/98/356052298.db2.gz LANQDHTVGHMGJA-CQSZACIVSA-N 2 2 299.463 0.263 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]Cc1ccc2c(c1)oc(=O)n2C ZINC000352934495 356114573 /nfs/dbraw/zinc/11/45/73/356114573.db2.gz JANLRJXKTTUDLU-UHFFFAOYSA-N 2 2 293.367 0.535 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]Cc1ccc2c(c1)oc(=O)n2C ZINC000352934495 356114577 /nfs/dbraw/zinc/11/45/77/356114577.db2.gz JANLRJXKTTUDLU-UHFFFAOYSA-N 2 2 293.367 0.535 20 0 CCADLP COCCOCC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352766052 356073425 /nfs/dbraw/zinc/07/34/25/356073425.db2.gz UXSUOYPBDAOZDT-UHFFFAOYSA-N 2 2 273.402 0.957 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000352830755 356092288 /nfs/dbraw/zinc/09/22/88/356092288.db2.gz VHHSDGSAMLVCHM-MCIONIFRSA-N 2 2 283.416 0.506 20 0 CCADLP COCC[NH+]1CCC([NH2+]Cc2[nH]ncc2C)CC1 ZINC000352838627 356092797 /nfs/dbraw/zinc/09/27/97/356092797.db2.gz GHORQTWDBQVCGF-UHFFFAOYSA-N 2 2 252.362 0.919 20 0 CCADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@H]1CC[NH2+]1 ZINC000353425783 356219169 /nfs/dbraw/zinc/21/91/69/356219169.db2.gz HUFZNBUIKZINMA-CQSZACIVSA-N 2 2 270.336 0.910 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000353445697 356224445 /nfs/dbraw/zinc/22/44/45/356224445.db2.gz JEBFIKMBJMRTMS-AVGNSLFASA-N 2 2 269.389 0.211 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000353445697 356224447 /nfs/dbraw/zinc/22/44/47/356224447.db2.gz JEBFIKMBJMRTMS-AVGNSLFASA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000353573823 356252016 /nfs/dbraw/zinc/25/20/16/356252016.db2.gz BJDSHTHDYZKMRG-OCCSQVGLSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000353573823 356252020 /nfs/dbraw/zinc/25/20/20/356252020.db2.gz BJDSHTHDYZKMRG-OCCSQVGLSA-N 2 2 269.389 0.213 20 0 CCADLP CC(C)C[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000353573756 356252184 /nfs/dbraw/zinc/25/21/84/356252184.db2.gz AHLPPJNUTJTQGM-CQSZACIVSA-N 2 2 293.415 0.438 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000353573822 356252328 /nfs/dbraw/zinc/25/23/28/356252328.db2.gz BJDSHTHDYZKMRG-JSGCOSHPSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000353573822 356252329 /nfs/dbraw/zinc/25/23/29/356252329.db2.gz BJDSHTHDYZKMRG-JSGCOSHPSA-N 2 2 269.389 0.213 20 0 CCADLP CC(C)C[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000353579464 356252634 /nfs/dbraw/zinc/25/26/34/356252634.db2.gz PRTJLSACIWISNJ-VXGBXAGGSA-N 2 2 257.378 0.197 20 0 CCADLP CC(C)C[C@@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000353579464 356252639 /nfs/dbraw/zinc/25/26/39/356252639.db2.gz PRTJLSACIWISNJ-VXGBXAGGSA-N 2 2 257.378 0.197 20 0 CCADLP CCOC[C@@H](O)C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000360749732 138009146 /nfs/dbraw/zinc/00/91/46/138009146.db2.gz ZGDLQPONNLTNRF-AWEZNQCLSA-N 2 2 274.405 0.162 20 0 CCADLP CCOC[C@@H](O)C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000360749732 138009147 /nfs/dbraw/zinc/00/91/47/138009147.db2.gz ZGDLQPONNLTNRF-AWEZNQCLSA-N 2 2 274.405 0.162 20 0 CCADLP CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000353675856 356270910 /nfs/dbraw/zinc/27/09/10/356270910.db2.gz FYIPUNHGBGAPHA-CHWSQXEVSA-N 2 2 269.389 0.339 20 0 CCADLP CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000353675856 356270913 /nfs/dbraw/zinc/27/09/13/356270913.db2.gz FYIPUNHGBGAPHA-CHWSQXEVSA-N 2 2 269.389 0.339 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1cc[nH+]c1 ZINC000608764756 363461319 /nfs/dbraw/zinc/46/13/19/363461319.db2.gz KAWUVHUQCFHEEW-UHFFFAOYSA-N 3 2 293.415 0.368 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1cc[nH+]c1 ZINC000608764756 363461323 /nfs/dbraw/zinc/46/13/23/363461323.db2.gz KAWUVHUQCFHEEW-UHFFFAOYSA-N 3 2 293.415 0.368 20 0 CCADLP Cc1nc(NCC2CC[NH+](CCO)CC2)cc[nH+]1 ZINC000361010624 138018419 /nfs/dbraw/zinc/01/84/19/138018419.db2.gz QIAOBELQFCHQPX-UHFFFAOYSA-N 2 2 250.346 0.323 20 0 CCADLP COC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)C1CC1 ZINC000361220053 138025572 /nfs/dbraw/zinc/02/55/72/138025572.db2.gz IIMNACTYCAWDRE-CHWSQXEVSA-N 2 2 269.389 0.341 20 0 CCADLP COC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)C1CC1 ZINC000361220053 138025573 /nfs/dbraw/zinc/02/55/73/138025573.db2.gz IIMNACTYCAWDRE-CHWSQXEVSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H](O)CNc1cc(NCC[NH+]2CCC(C)CC2)nc[nH+]1 ZINC000354239610 356372545 /nfs/dbraw/zinc/37/25/45/356372545.db2.gz IYOIMUZTMOIWNW-ZDUSSCGKSA-N 2 2 293.415 0.835 20 0 CCADLP C[C@@H](O)CNc1cc(NCC[NH+]2CCC(C)CC2)nc[nH+]1 ZINC000354239609 356372822 /nfs/dbraw/zinc/37/28/22/356372822.db2.gz IYOIMUZTMOIWNW-CYBMUJFWSA-N 2 2 293.415 0.835 20 0 CCADLP C[C@H](NC(=O)[C@]1(C)CCC[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000353641057 299240868 /nfs/dbraw/zinc/24/08/68/299240868.db2.gz NTVDSIIZYQBKHS-KCQAQPDRSA-N 2 2 283.416 0.602 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000354890471 356522404 /nfs/dbraw/zinc/52/24/04/356522404.db2.gz IXZRMELXIKKDTF-HNNXBMFYSA-N 2 2 297.443 0.633 20 0 CCADLP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)NC(=O)NC1CC1 ZINC000609157403 363475269 /nfs/dbraw/zinc/47/52/69/363475269.db2.gz JTGQBSXLOZDQRC-LBPRGKRZSA-N 2 2 291.355 0.508 20 0 CCADLP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)NC(=O)NC1CC1 ZINC000609157403 363475274 /nfs/dbraw/zinc/47/52/74/363475274.db2.gz JTGQBSXLOZDQRC-LBPRGKRZSA-N 2 2 291.355 0.508 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000355080781 356570909 /nfs/dbraw/zinc/57/09/09/356570909.db2.gz DGKBEQPBRCQQCF-LBPRGKRZSA-N 2 2 257.378 0.165 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000355080781 356570914 /nfs/dbraw/zinc/57/09/14/356570914.db2.gz DGKBEQPBRCQQCF-LBPRGKRZSA-N 2 2 257.378 0.165 20 0 CCADLP Cc1noc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1 ZINC000610250175 363545124 /nfs/dbraw/zinc/54/51/24/363545124.db2.gz BXVKROBWZDAMGB-CQSZACIVSA-N 2 2 293.415 0.978 20 0 CCADLP Cc1noc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1 ZINC000610250175 363545127 /nfs/dbraw/zinc/54/51/27/363545127.db2.gz BXVKROBWZDAMGB-CQSZACIVSA-N 2 2 293.415 0.978 20 0 CCADLP C[C@H]1OCC[C@H]1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000356015707 356686011 /nfs/dbraw/zinc/68/60/11/356686011.db2.gz QYPCNSJCFOJKGO-UKRRQHHQSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@H]1OCC[C@H]1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000356015707 356686014 /nfs/dbraw/zinc/68/60/14/356686014.db2.gz QYPCNSJCFOJKGO-UKRRQHHQSA-N 2 2 297.443 0.896 20 0 CCADLP Cc1nc([C@H]2C[N@H+](CCn3cc[nH+]c3C)CCO2)no1 ZINC000329028770 202159682 /nfs/dbraw/zinc/15/96/82/202159682.db2.gz KQPWHYKMVXSPBD-GFCCVEGCSA-N 2 2 277.328 0.956 20 0 CCADLP Cc1nc([C@H]2C[N@@H+](CCn3cc[nH+]c3C)CCO2)no1 ZINC000329028770 202159685 /nfs/dbraw/zinc/15/96/85/202159685.db2.gz KQPWHYKMVXSPBD-GFCCVEGCSA-N 2 2 277.328 0.956 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000356354381 356751830 /nfs/dbraw/zinc/75/18/30/356751830.db2.gz LCDIIPRDHGCGFU-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000356354381 356751833 /nfs/dbraw/zinc/75/18/33/356751833.db2.gz LCDIIPRDHGCGFU-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCC1CCCCC1 ZINC000359285924 356793995 /nfs/dbraw/zinc/79/39/95/356793995.db2.gz XESYRNCKEPGMNQ-OKILXGFUSA-N 2 2 265.401 0.834 20 0 CCADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCC1CCCCC1 ZINC000359285924 356793996 /nfs/dbraw/zinc/79/39/96/356793996.db2.gz XESYRNCKEPGMNQ-OKILXGFUSA-N 2 2 265.401 0.834 20 0 CCADLP COC(=O)c1coc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000359461305 356825444 /nfs/dbraw/zinc/82/54/44/356825444.db2.gz UNWKFIBEZAOGAE-GHMZBOCLSA-N 2 2 250.298 0.717 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)no1 ZINC000359508242 356835001 /nfs/dbraw/zinc/83/50/01/356835001.db2.gz CHKWYAKMHILRJT-FZMZJTMJSA-N 2 2 292.383 0.902 20 0 CCADLP C[C@@H](C(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000359774168 356889011 /nfs/dbraw/zinc/88/90/11/356889011.db2.gz MFWSVMQXCPOVJO-AGIUHOORSA-N 2 2 269.389 0.116 20 0 CCADLP O=C1NCCCC[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655687650 412645021 /nfs/dbraw/zinc/64/50/21/412645021.db2.gz USLMZCKZCURJSG-GJZGRUSLSA-N 2 2 295.427 0.888 20 0 CCADLP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)[C@@H](C)C[N@@H+]1C ZINC000359563167 356844907 /nfs/dbraw/zinc/84/49/07/356844907.db2.gz CHDDAUAJTJBIQM-MNOVXSKESA-N 2 2 280.372 0.901 20 0 CCADLP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)[C@@H](C)C[N@H+]1C ZINC000359563167 356844909 /nfs/dbraw/zinc/84/49/09/356844909.db2.gz CHDDAUAJTJBIQM-MNOVXSKESA-N 2 2 280.372 0.901 20 0 CCADLP C[C@@H](C(=O)NCC[N@H+]1CC[C@@H](C)C1)[NH+]1CCSCC1 ZINC000532763758 358512877 /nfs/dbraw/zinc/51/28/77/358512877.db2.gz LACWYGJHBVTVET-OLZOCXBDSA-N 2 2 285.457 0.882 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1CSC[NH2+]1 ZINC000360169475 356963255 /nfs/dbraw/zinc/96/32/55/356963255.db2.gz JIVXUXGSYVRUDF-DVVUODLYSA-N 2 2 255.387 0.248 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1CSC[NH2+]1 ZINC000360169475 356963258 /nfs/dbraw/zinc/96/32/58/356963258.db2.gz JIVXUXGSYVRUDF-DVVUODLYSA-N 2 2 255.387 0.248 20 0 CCADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)[C@@H]1CSC[NH2+]1 ZINC000360205680 356970196 /nfs/dbraw/zinc/97/01/96/356970196.db2.gz WGZQPRLTEYJLSZ-ZETCQYMHSA-N 2 2 294.302 0.724 20 0 CCADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000360543296 357037622 /nfs/dbraw/zinc/03/76/22/357037622.db2.gz AVEIVABRSCRZGB-UONOGXRCSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000360543296 357037627 /nfs/dbraw/zinc/03/76/27/357037627.db2.gz AVEIVABRSCRZGB-UONOGXRCSA-N 2 2 295.427 0.792 20 0 CCADLP CC[C@@]1(C(=O)N2CC[NH+](CCOC)CC2)CC[NH2+]C1 ZINC000363513888 357061026 /nfs/dbraw/zinc/06/10/26/357061026.db2.gz JUGNIBBDVDBTEF-CQSZACIVSA-N 2 2 269.389 0.167 20 0 CCADLP COCCN1CC[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655710440 412649647 /nfs/dbraw/zinc/64/96/47/412649647.db2.gz AYYPHCSOCDJMMG-CVEARBPZSA-N 2 2 297.443 0.550 20 0 CCADLP NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cc[nH+]c(N)c1 ZINC000365342935 357144453 /nfs/dbraw/zinc/14/44/53/357144453.db2.gz JQJMQRPYSFZAHG-GVXVVHGQSA-N 2 2 260.341 0.580 20 0 CCADLP NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cc[nH+]c(N)c1 ZINC000365342935 357144458 /nfs/dbraw/zinc/14/44/58/357144458.db2.gz JQJMQRPYSFZAHG-GVXVVHGQSA-N 2 2 260.341 0.580 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)N2CCC2)C1 ZINC000365631954 357163276 /nfs/dbraw/zinc/16/32/76/357163276.db2.gz RYVQOSORJGVQIU-GFCCVEGCSA-N 2 2 262.357 0.832 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC000365631954 357163279 /nfs/dbraw/zinc/16/32/79/357163279.db2.gz RYVQOSORJGVQIU-GFCCVEGCSA-N 2 2 262.357 0.832 20 0 CCADLP CN1CCC[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1=O ZINC000655719349 412651977 /nfs/dbraw/zinc/65/19/77/412651977.db2.gz RQAKQZMHQFNFMD-ZIAGYGMSSA-N 2 2 281.400 0.450 20 0 CCADLP Cc1cccn2cc(CNC(=O)C[C@@H]3COCC[NH2+]3)[nH+]c12 ZINC000375942010 357418464 /nfs/dbraw/zinc/41/84/64/357418464.db2.gz RJCBBPOEWQWTTC-GFCCVEGCSA-N 2 2 288.351 0.637 20 0 CCADLP Cc1nc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000376824464 357508425 /nfs/dbraw/zinc/50/84/25/357508425.db2.gz WLOPSVQNUKILGC-NSHDSACASA-N 2 2 293.371 0.276 20 0 CCADLP Cc1nc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000376824464 357508429 /nfs/dbraw/zinc/50/84/29/357508429.db2.gz WLOPSVQNUKILGC-NSHDSACASA-N 2 2 293.371 0.276 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000377198968 357552025 /nfs/dbraw/zinc/55/20/25/357552025.db2.gz RQVBVSXXJCYWAF-ZIAGYGMSSA-N 3 2 294.443 0.271 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000377198968 357552029 /nfs/dbraw/zinc/55/20/29/357552029.db2.gz RQVBVSXXJCYWAF-ZIAGYGMSSA-N 3 2 294.443 0.271 20 0 CCADLP Cc1[nH+]ccn1CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000382171349 357711905 /nfs/dbraw/zinc/71/19/05/357711905.db2.gz QEXZEKUYLLGLIN-CYBMUJFWSA-N 3 2 252.362 0.238 20 0 CCADLP CC[N@@H+](Cc1ccncc1)C[C@@H](O)C[NH+](C)CCOC ZINC000380554595 357704578 /nfs/dbraw/zinc/70/45/78/357704578.db2.gz PXRKQKMFDMWQDQ-HNNXBMFYSA-N 2 2 281.400 0.843 20 0 CCADLP CC[N@H+](Cc1ccncc1)C[C@@H](O)C[NH+](C)CCOC ZINC000380554595 357704580 /nfs/dbraw/zinc/70/45/80/357704580.db2.gz PXRKQKMFDMWQDQ-HNNXBMFYSA-N 2 2 281.400 0.843 20 0 CCADLP CC[NH+](Cc1ccncc1)C[C@@H](O)C[N@H+](C)CCOC ZINC000380554595 357704583 /nfs/dbraw/zinc/70/45/83/357704583.db2.gz PXRKQKMFDMWQDQ-HNNXBMFYSA-N 2 2 281.400 0.843 20 0 CCADLP CC[NH+](Cc1ccncc1)C[C@@H](O)C[N@@H+](C)CCOC ZINC000380554595 357704586 /nfs/dbraw/zinc/70/45/86/357704586.db2.gz PXRKQKMFDMWQDQ-HNNXBMFYSA-N 2 2 281.400 0.843 20 0 CCADLP COCCn1cc(C[NH2+]C2(CCO)CC[NH+](C)CC2)cn1 ZINC000655791257 412660630 /nfs/dbraw/zinc/66/06/30/412660630.db2.gz KYLLNPRSJJPTFJ-UHFFFAOYSA-N 2 2 296.415 0.466 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCCOC1 ZINC000401677267 357802277 /nfs/dbraw/zinc/80/22/77/357802277.db2.gz TYFQFUUZWDVARX-OLZOCXBDSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCCOC1 ZINC000401677267 357802283 /nfs/dbraw/zinc/80/22/83/357802283.db2.gz TYFQFUUZWDVARX-OLZOCXBDSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CCCOC1 ZINC000401677267 357802289 /nfs/dbraw/zinc/80/22/89/357802289.db2.gz TYFQFUUZWDVARX-OLZOCXBDSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCCOC1 ZINC000401677267 357802293 /nfs/dbraw/zinc/80/22/93/357802293.db2.gz TYFQFUUZWDVARX-OLZOCXBDSA-N 2 2 260.378 0.036 20 0 CCADLP CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+]1CCOCC1 ZINC000561105219 291116959 /nfs/dbraw/zinc/11/69/59/291116959.db2.gz CKVBWBMKGPWLAW-CABCVRRESA-N 2 2 297.443 0.801 20 0 CCADLP CC(C)[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH+]1CCOCC1 ZINC000561105219 291116962 /nfs/dbraw/zinc/11/69/62/291116962.db2.gz CKVBWBMKGPWLAW-CABCVRRESA-N 2 2 297.443 0.801 20 0 CCADLP C[C@H](C(=O)NCc1c[nH+]c(N(C)C)n1C)[NH+]1CC(C)C1 ZINC000561245106 291123303 /nfs/dbraw/zinc/12/33/03/291123303.db2.gz JWVMAJANXRFAOK-LLVKDONJSA-N 2 2 279.388 0.443 20 0 CCADLP C[C@@H](O)CNc1cc(N(C)CC[NH+]2CCOCC2)nc[nH+]1 ZINC000294566196 199089363 /nfs/dbraw/zinc/08/93/63/199089363.db2.gz XRDDOASLOFNDAS-GFCCVEGCSA-N 2 2 295.387 0.038 20 0 CCADLP CO[C@@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C12CCC2 ZINC000453089678 236272989 /nfs/dbraw/zinc/27/29/89/236272989.db2.gz RSRXSRDZNLBCTH-CHWSQXEVSA-N 2 2 281.400 0.308 20 0 CCADLP COC[C@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)C1CC1 ZINC000453265384 236274177 /nfs/dbraw/zinc/27/41/77/236274177.db2.gz NQNSBOHYRDEDSJ-KBPBESRZSA-N 2 2 256.390 0.848 20 0 CCADLP COC[C@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)C1CC1 ZINC000453265384 236274180 /nfs/dbraw/zinc/27/41/80/236274180.db2.gz NQNSBOHYRDEDSJ-KBPBESRZSA-N 2 2 256.390 0.848 20 0 CCADLP CN(C(=O)NC[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000454632107 236303708 /nfs/dbraw/zinc/30/37/08/236303708.db2.gz OPQSXTCCDIQRFQ-IHRRRGAJSA-N 2 2 296.415 0.195 20 0 CCADLP CN(C(=O)NC[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000454632107 236303710 /nfs/dbraw/zinc/30/37/10/236303710.db2.gz OPQSXTCCDIQRFQ-IHRRRGAJSA-N 2 2 296.415 0.195 20 0 CCADLP CN(C(=O)NC[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+]2CCO[C@H]1C2 ZINC000454632107 236303712 /nfs/dbraw/zinc/30/37/12/236303712.db2.gz OPQSXTCCDIQRFQ-IHRRRGAJSA-N 2 2 296.415 0.195 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456197785 236368104 /nfs/dbraw/zinc/36/81/04/236368104.db2.gz FAWUWPPROLPFDP-YIYPIFLZSA-N 2 2 281.400 0.164 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456197785 236368107 /nfs/dbraw/zinc/36/81/07/236368107.db2.gz FAWUWPPROLPFDP-YIYPIFLZSA-N 2 2 281.400 0.164 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456197785 236368109 /nfs/dbraw/zinc/36/81/09/236368109.db2.gz FAWUWPPROLPFDP-YIYPIFLZSA-N 2 2 281.400 0.164 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456197785 236368111 /nfs/dbraw/zinc/36/81/11/236368111.db2.gz FAWUWPPROLPFDP-YIYPIFLZSA-N 2 2 281.400 0.164 20 0 CCADLP C[C@H](C[NH3+])N(C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000417426154 358132665 /nfs/dbraw/zinc/13/26/65/358132665.db2.gz MVZNGUIACDOQEK-LLVKDONJSA-N 2 2 272.393 0.086 20 0 CCADLP C[C@H](C[NH3+])N(C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000417426154 358132668 /nfs/dbraw/zinc/13/26/68/358132668.db2.gz MVZNGUIACDOQEK-LLVKDONJSA-N 2 2 272.393 0.086 20 0 CCADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000417507120 358133608 /nfs/dbraw/zinc/13/36/08/358133608.db2.gz OMBYAMBSQMCVTJ-RYUDHWBXSA-N 2 2 284.404 0.228 20 0 CCADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000417507120 358133612 /nfs/dbraw/zinc/13/36/12/358133612.db2.gz OMBYAMBSQMCVTJ-RYUDHWBXSA-N 2 2 284.404 0.228 20 0 CCADLP CC[NH+](CC)CCOCCNC(=O)Cn1cc[nH+]c1 ZINC000561993884 291137185 /nfs/dbraw/zinc/13/71/85/291137185.db2.gz VLENCNVWOAQMPO-UHFFFAOYSA-N 2 2 268.361 0.358 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@]1(N2CCOCC2)CCSC1 ZINC000422904435 358194799 /nfs/dbraw/zinc/19/47/99/358194799.db2.gz PYDIQGPMCAXGBY-ILXRZTDVSA-N 2 2 299.484 0.782 20 0 CCADLP CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423246390 358198190 /nfs/dbraw/zinc/19/81/90/358198190.db2.gz ZKCYTELPBZVHII-IJLUTSLNSA-N 2 2 260.403 0.684 20 0 CCADLP O=C(NCC[C@H]1CCC[NH2+]1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000423584779 358202199 /nfs/dbraw/zinc/20/21/99/358202199.db2.gz QSTPAUKPIXUKCH-UKRRQHHQSA-N 2 2 295.427 0.888 20 0 CCADLP O=C(NCC[C@H]1CCC[NH2+]1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000423584779 358202200 /nfs/dbraw/zinc/20/22/00/358202200.db2.gz QSTPAUKPIXUKCH-UKRRQHHQSA-N 2 2 295.427 0.888 20 0 CCADLP [NH3+][C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000424475383 358211182 /nfs/dbraw/zinc/21/11/82/358211182.db2.gz JGNNSCOVYSGYKQ-GMTAPVOTSA-N 2 2 277.372 0.836 20 0 CCADLP [NH3+][C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000424475383 358211184 /nfs/dbraw/zinc/21/11/84/358211184.db2.gz JGNNSCOVYSGYKQ-GMTAPVOTSA-N 2 2 277.372 0.836 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000434266033 358233455 /nfs/dbraw/zinc/23/34/55/358233455.db2.gz JGPVFUPEZIYYHV-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000434266033 358233459 /nfs/dbraw/zinc/23/34/59/358233459.db2.gz JGPVFUPEZIYYHV-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]C1CCC(O)CC1 ZINC000453265759 358268911 /nfs/dbraw/zinc/26/89/11/358268911.db2.gz NWQZKIKSQLNUDD-MOKVOYLWSA-N 2 2 256.390 0.726 20 0 CCADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]C1CCC(O)CC1 ZINC000453265759 358268912 /nfs/dbraw/zinc/26/89/12/358268912.db2.gz NWQZKIKSQLNUDD-MOKVOYLWSA-N 2 2 256.390 0.726 20 0 CCADLP CCn1ncc(C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)n1 ZINC000530208504 358378165 /nfs/dbraw/zinc/37/81/65/358378165.db2.gz HFCKHOZUXZPUGI-MNOVXSKESA-N 2 2 253.350 0.155 20 0 CCADLP CC(C)COCC[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530225889 358382874 /nfs/dbraw/zinc/38/28/74/358382874.db2.gz XQEPCYIZNHGURQ-UHFFFAOYSA-N 2 2 298.431 0.302 20 0 CCADLP CC(C)[C@H]1C[NH2+]CCN1CCC(=O)N1CC[NH+](C)CC1 ZINC000530228471 358383226 /nfs/dbraw/zinc/38/32/26/358383226.db2.gz VFGDMINUSFVQOZ-CQSZACIVSA-N 2 2 282.432 0.080 20 0 CCADLP CC(C)[C@H]1CNCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000530228471 358383227 /nfs/dbraw/zinc/38/32/27/358383227.db2.gz VFGDMINUSFVQOZ-CQSZACIVSA-N 2 2 282.432 0.080 20 0 CCADLP CC(C)[C@H]1CNCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000530228471 358383228 /nfs/dbraw/zinc/38/32/28/358383228.db2.gz VFGDMINUSFVQOZ-CQSZACIVSA-N 2 2 282.432 0.080 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)CCCC[NH+]1CCOCC1 ZINC000530480194 358402568 /nfs/dbraw/zinc/40/25/68/358402568.db2.gz BMLJFNBWWNLMHJ-UHFFFAOYSA-N 2 2 294.399 0.581 20 0 CCADLP C[C@H](c1nnnn1C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000567891284 358606887 /nfs/dbraw/zinc/60/68/87/358606887.db2.gz WYPHPWSIBCUHPB-YTWAJWBKSA-N 2 2 250.350 0.330 20 0 CCADLP C[C@H](c1nnnn1C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000567891284 358606889 /nfs/dbraw/zinc/60/68/89/358606889.db2.gz WYPHPWSIBCUHPB-YTWAJWBKSA-N 2 2 250.350 0.330 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C[C@H]1CS2 ZINC000568181491 358643116 /nfs/dbraw/zinc/64/31/16/358643116.db2.gz URHXJOICOXHGPQ-SRVKXCTJSA-N 2 2 260.403 0.115 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2C[C@H]1CS2 ZINC000568181491 358643119 /nfs/dbraw/zinc/64/31/19/358643119.db2.gz URHXJOICOXHGPQ-SRVKXCTJSA-N 2 2 260.403 0.115 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000568181491 358643121 /nfs/dbraw/zinc/64/31/21/358643121.db2.gz URHXJOICOXHGPQ-SRVKXCTJSA-N 2 2 260.403 0.115 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000568181491 358643123 /nfs/dbraw/zinc/64/31/23/358643123.db2.gz URHXJOICOXHGPQ-SRVKXCTJSA-N 2 2 260.403 0.115 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000568050726 358628476 /nfs/dbraw/zinc/62/84/76/358628476.db2.gz CNFYJPOVFQQILI-KGLIPLIRSA-N 3 2 257.422 0.763 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000568050726 358628477 /nfs/dbraw/zinc/62/84/77/358628477.db2.gz CNFYJPOVFQQILI-KGLIPLIRSA-N 3 2 257.422 0.763 20 0 CCADLP C[NH2+]C[C@](C)(O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000568050726 358628480 /nfs/dbraw/zinc/62/84/80/358628480.db2.gz CNFYJPOVFQQILI-KGLIPLIRSA-N 3 2 257.422 0.763 20 0 CCADLP C[NH2+]C[C@](C)(O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000568050726 358628481 /nfs/dbraw/zinc/62/84/81/358628481.db2.gz CNFYJPOVFQQILI-KGLIPLIRSA-N 3 2 257.422 0.763 20 0 CCADLP C[C@H](CC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)n1cc[nH+]c1 ZINC000568153370 358636463 /nfs/dbraw/zinc/63/64/63/358636463.db2.gz CLMHIUUHYCMZGP-IJLUTSLNSA-N 2 2 250.346 0.948 20 0 CCADLP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]([NH3+])c3cscn3)[C@@H]2C1 ZINC000568500536 358678249 /nfs/dbraw/zinc/67/82/49/358678249.db2.gz MGLSJZQPSPWWMK-WOPDTQHZSA-N 2 2 296.396 0.074 20 0 CCADLP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]([NH3+])c3cscn3)[C@@H]2C1 ZINC000568500536 358678255 /nfs/dbraw/zinc/67/82/55/358678255.db2.gz MGLSJZQPSPWWMK-WOPDTQHZSA-N 2 2 296.396 0.074 20 0 CCADLP C[C@@H](Cc1cccs1)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000568737083 358699875 /nfs/dbraw/zinc/69/98/75/358699875.db2.gz BNROXJIRZWSSGF-NWDGAFQWSA-N 2 2 296.440 0.963 20 0 CCADLP C[C@@H](Cc1cccs1)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000568737083 358699879 /nfs/dbraw/zinc/69/98/79/358699879.db2.gz BNROXJIRZWSSGF-NWDGAFQWSA-N 2 2 296.440 0.963 20 0 CCADLP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000569099191 358732443 /nfs/dbraw/zinc/73/24/43/358732443.db2.gz SQWZTUUHJDYDEM-ONGXEEELSA-N 2 2 270.402 0.989 20 0 CCADLP O=C(NCc1cn2ccccc2[nH+]1)NC[C@H]1CCC[NH2+]1 ZINC000569576096 358774748 /nfs/dbraw/zinc/77/47/48/358774748.db2.gz LXUNXAZXYCLOEJ-LLVKDONJSA-N 2 2 273.340 0.886 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000570108283 358825146 /nfs/dbraw/zinc/82/51/46/358825146.db2.gz YFYGTVPPOZCQEI-OCCSQVGLSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000570108283 358825150 /nfs/dbraw/zinc/82/51/50/358825150.db2.gz YFYGTVPPOZCQEI-OCCSQVGLSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000570108283 358825155 /nfs/dbraw/zinc/82/51/55/358825155.db2.gz YFYGTVPPOZCQEI-OCCSQVGLSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000570108283 358825159 /nfs/dbraw/zinc/82/51/59/358825159.db2.gz YFYGTVPPOZCQEI-OCCSQVGLSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H]1CCCC[C@H]1C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000569808735 358794002 /nfs/dbraw/zinc/79/40/02/358794002.db2.gz JHFSYOKHRJCOAP-FRRDWIJNSA-N 2 2 253.390 0.914 20 0 CCADLP C[C@@H]1CCCC[C@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000569808735 358794005 /nfs/dbraw/zinc/79/40/05/358794005.db2.gz JHFSYOKHRJCOAP-FRRDWIJNSA-N 2 2 253.390 0.914 20 0 CCADLP COc1c(N)[nH+]cnc1NCC1CC[NH+](C2CC2)CC1 ZINC000569942218 358807853 /nfs/dbraw/zinc/80/78/53/358807853.db2.gz XRHIOVNPIIIPBV-UHFFFAOYSA-N 2 2 277.372 0.776 20 0 CCADLP COc1c(N)nc[nH+]c1NCC1CC[NH+](C2CC2)CC1 ZINC000569942218 358807857 /nfs/dbraw/zinc/80/78/57/358807857.db2.gz XRHIOVNPIIIPBV-UHFFFAOYSA-N 2 2 277.372 0.776 20 0 CCADLP CCC[C@H](O)C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000570162602 358829799 /nfs/dbraw/zinc/82/97/99/358829799.db2.gz MIGYQPSMEFXCKX-CRWXNKLISA-N 2 2 274.405 0.207 20 0 CCADLP CCC[C@H](O)C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000570162602 358829804 /nfs/dbraw/zinc/82/98/04/358829804.db2.gz MIGYQPSMEFXCKX-CRWXNKLISA-N 2 2 274.405 0.207 20 0 CCADLP CO[C@@](C)(CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000570188446 358831506 /nfs/dbraw/zinc/83/15/06/358831506.db2.gz RMHHUDQSMDFXCI-JSGCOSHPSA-N 2 2 284.404 0.086 20 0 CCADLP CO[C@@](C)(CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000570188446 358831512 /nfs/dbraw/zinc/83/15/12/358831512.db2.gz RMHHUDQSMDFXCI-JSGCOSHPSA-N 2 2 284.404 0.086 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])c2cscn2)C[N@@H+]1C1CC1 ZINC000570716871 358888625 /nfs/dbraw/zinc/88/86/25/358888625.db2.gz XHZGSPCLXRARFZ-KBVBSXBZSA-N 2 2 280.397 0.884 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCc2ccc(F)cc2F)[C@@H](C[NH3+])C1 ZINC000570804984 358897019 /nfs/dbraw/zinc/89/70/19/358897019.db2.gz IUPVPAPOJHEPNH-ZDUSSCGKSA-N 2 2 297.349 0.999 20 0 CCADLP C[N@H+]1CCN(C(=O)CCc2ccc(F)cc2F)[C@@H](C[NH3+])C1 ZINC000570804984 358897023 /nfs/dbraw/zinc/89/70/23/358897023.db2.gz IUPVPAPOJHEPNH-ZDUSSCGKSA-N 2 2 297.349 0.999 20 0 CCADLP C[C@H](O)CNc1cc(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)nc[nH+]1 ZINC000571051665 358908151 /nfs/dbraw/zinc/90/81/51/358908151.db2.gz UOSMBZATYQGDCP-WOPDTQHZSA-N 2 2 279.388 0.798 20 0 CCADLP C[C@H](O)CNc1cc(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)nc[nH+]1 ZINC000571051665 358908152 /nfs/dbraw/zinc/90/81/52/358908152.db2.gz UOSMBZATYQGDCP-WOPDTQHZSA-N 2 2 279.388 0.798 20 0 CCADLP CN(C(=O)[C@@H]([NH3+])c1c(F)cccc1F)[C@H]1CC[NH2+]C1 ZINC000562805428 291168162 /nfs/dbraw/zinc/16/81/62/291168162.db2.gz UDRUENVJLQHETP-UFBFGSQYSA-N 2 2 269.295 0.785 20 0 CCADLP CC(=O)[C@@](C)(O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000573859799 359006330 /nfs/dbraw/zinc/00/63/30/359006330.db2.gz CQQKVMWSFUJTAL-AAEUAGOBSA-N 2 2 251.330 0.549 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](CC(N)=O)c1ccccc1 ZINC000579974318 359071787 /nfs/dbraw/zinc/07/17/87/359071787.db2.gz BWTOSIOFUIRLNF-HUUCEWRRSA-N 2 2 293.411 0.848 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](CC(N)=O)c1ccccc1 ZINC000579974318 359071792 /nfs/dbraw/zinc/07/17/92/359071792.db2.gz BWTOSIOFUIRLNF-HUUCEWRRSA-N 2 2 293.411 0.848 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](CC(N)=O)c1ccccc1 ZINC000579974318 359071796 /nfs/dbraw/zinc/07/17/96/359071796.db2.gz BWTOSIOFUIRLNF-HUUCEWRRSA-N 2 2 293.411 0.848 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](CC(N)=O)c1ccccc1 ZINC000579974318 359071803 /nfs/dbraw/zinc/07/18/03/359071803.db2.gz BWTOSIOFUIRLNF-HUUCEWRRSA-N 2 2 293.411 0.848 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+][C@@H](C)Cn2cc[nH+]c2)no1 ZINC000582296132 359130981 /nfs/dbraw/zinc/13/09/81/359130981.db2.gz SEMABSSOIGMLMF-JTQLQIEISA-N 2 2 277.328 0.608 20 0 CCADLP CN(CCC[NH3+])C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000582312928 359135181 /nfs/dbraw/zinc/13/51/81/359135181.db2.gz QBVWUWJIOJLAEP-SECBINFHSA-N 2 2 251.334 0.257 20 0 CCADLP CN(CCC[NH3+])C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000582312928 359135189 /nfs/dbraw/zinc/13/51/89/359135189.db2.gz QBVWUWJIOJLAEP-SECBINFHSA-N 2 2 251.334 0.257 20 0 CCADLP C[C@@]1(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CCC[NH2+]1 ZINC000584055444 359164331 /nfs/dbraw/zinc/16/43/31/359164331.db2.gz CPGKFRDUIOGMPZ-AWEZNQCLSA-N 2 2 269.389 0.356 20 0 CCADLP C[C@@]1(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CCC[NH2+]1 ZINC000584055444 359164336 /nfs/dbraw/zinc/16/43/36/359164336.db2.gz CPGKFRDUIOGMPZ-AWEZNQCLSA-N 2 2 269.389 0.356 20 0 CCADLP CO[C@H](C[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1)C(C)C ZINC000562989834 291178557 /nfs/dbraw/zinc/17/85/57/291178557.db2.gz TYYVTTYLQVQFEK-ZQDZILKHSA-N 2 2 288.432 0.717 20 0 CCADLP CC(C)[N@H+](C)CC1CC[NH+](Cc2nnnn2C)CC1 ZINC000590786329 359524182 /nfs/dbraw/zinc/52/41/82/359524182.db2.gz RBFSYYYISHCVJK-UHFFFAOYSA-N 2 2 266.393 0.762 20 0 CCADLP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nnnn2C)CC1 ZINC000590786329 359524186 /nfs/dbraw/zinc/52/41/86/359524186.db2.gz RBFSYYYISHCVJK-UHFFFAOYSA-N 2 2 266.393 0.762 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000591098354 359557624 /nfs/dbraw/zinc/55/76/24/359557624.db2.gz NLZATXYPIVQIRX-LBPRGKRZSA-N 2 2 250.346 0.731 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000591098354 359557627 /nfs/dbraw/zinc/55/76/27/359557627.db2.gz NLZATXYPIVQIRX-LBPRGKRZSA-N 2 2 250.346 0.731 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000591571596 359600142 /nfs/dbraw/zinc/60/01/42/359600142.db2.gz QSCRLLMUFXHQFU-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000591571596 359600144 /nfs/dbraw/zinc/60/01/44/359600144.db2.gz QSCRLLMUFXHQFU-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000591571596 359600146 /nfs/dbraw/zinc/60/01/46/359600146.db2.gz QSCRLLMUFXHQFU-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000591571596 359600148 /nfs/dbraw/zinc/60/01/48/359600148.db2.gz QSCRLLMUFXHQFU-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP CN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1C[NH+]2CCC1CC2 ZINC000492758437 237288643 /nfs/dbraw/zinc/28/86/43/237288643.db2.gz ALPUGRSJTPUCON-YWVDXFKGSA-N 2 2 260.341 0.976 20 0 CCADLP COCC[NH+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492894090 237332753 /nfs/dbraw/zinc/33/27/53/237332753.db2.gz GRXGELZBOWVJRT-IHWYPQMZSA-N 2 2 264.329 0.214 20 0 CCADLP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]([NH3+])c1cscn1 ZINC000563096701 291192449 /nfs/dbraw/zinc/19/24/49/291192449.db2.gz HJCPCZHQPCCIGZ-NSHDSACASA-N 2 2 268.386 0.696 20 0 CCADLP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]([NH3+])c1cscn1 ZINC000563096701 291192451 /nfs/dbraw/zinc/19/24/51/291192451.db2.gz HJCPCZHQPCCIGZ-NSHDSACASA-N 2 2 268.386 0.696 20 0 CCADLP O[C@@H](CN1CCOCC1)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591907671 359688811 /nfs/dbraw/zinc/68/88/11/359688811.db2.gz OFSMXLYQJQOAGG-CABCVRRESA-N 2 2 294.399 0.213 20 0 CCADLP O[C@@H](CN1CCOCC1)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591907671 359688816 /nfs/dbraw/zinc/68/88/16/359688816.db2.gz OFSMXLYQJQOAGG-CABCVRRESA-N 2 2 294.399 0.213 20 0 CCADLP Cc1cc(C)n2c(CN3CC[N@@H+](C)C[C@H]3C[NH3+])cnc2n1 ZINC000563136172 291197511 /nfs/dbraw/zinc/19/75/11/291197511.db2.gz DTRYTOHCYCEOAH-CYBMUJFWSA-N 2 2 288.399 0.421 20 0 CCADLP Cc1cc(C)n2c(CN3CC[N@H+](C)C[C@H]3C[NH3+])cnc2n1 ZINC000563136172 291197513 /nfs/dbraw/zinc/19/75/13/291197513.db2.gz DTRYTOHCYCEOAH-CYBMUJFWSA-N 2 2 288.399 0.421 20 0 CCADLP C[C@H](C(=O)NCCC[C@H]1CCC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000563159260 291201068 /nfs/dbraw/zinc/20/10/68/291201068.db2.gz GXWGCGVAEBDVCM-ZIAGYGMSSA-N 2 2 282.432 0.271 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000563171439 291202402 /nfs/dbraw/zinc/20/24/02/291202402.db2.gz XEROIINIFMTCKQ-OUCADQQQSA-N 2 2 283.416 0.872 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000563171439 291202405 /nfs/dbraw/zinc/20/24/05/291202405.db2.gz XEROIINIFMTCKQ-OUCADQQQSA-N 2 2 283.416 0.872 20 0 CCADLP COC(=O)[C@H]1C[NH2+]CCCN1Cc1c[nH+]c2ccccn12 ZINC000592435740 359840835 /nfs/dbraw/zinc/84/08/35/359840835.db2.gz WUQGVHLEODTOLP-CYBMUJFWSA-N 2 2 288.351 0.671 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000592486558 359853017 /nfs/dbraw/zinc/85/30/17/359853017.db2.gz KRIUKMZHSVQENG-OAHLLOKOSA-N 2 2 296.415 0.686 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000592486558 359853020 /nfs/dbraw/zinc/85/30/20/359853020.db2.gz KRIUKMZHSVQENG-OAHLLOKOSA-N 2 2 296.415 0.686 20 0 CCADLP C[NH+](C)C1(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000563200332 291204844 /nfs/dbraw/zinc/20/48/44/291204844.db2.gz PQPPMCHMTQSRCK-NSHDSACASA-N 2 2 262.357 0.656 20 0 CCADLP COC(=O)C[C@H]1C(=O)NCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000592494400 359858813 /nfs/dbraw/zinc/85/88/13/359858813.db2.gz TVYDEEXGMTYWSY-ZDUSSCGKSA-N 2 2 297.399 0.130 20 0 CCADLP COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000592494400 359858816 /nfs/dbraw/zinc/85/88/16/359858816.db2.gz TVYDEEXGMTYWSY-ZDUSSCGKSA-N 2 2 297.399 0.130 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](CCC(=O)OC(C)(C)C)CC1=O ZINC000593053152 360021451 /nfs/dbraw/zinc/02/14/51/360021451.db2.gz YBFUTMCQRRVGLW-UHFFFAOYSA-N 2 2 299.415 0.424 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](CCC(=O)OC(C)(C)C)CC1=O ZINC000593053152 360021455 /nfs/dbraw/zinc/02/14/55/360021455.db2.gz YBFUTMCQRRVGLW-UHFFFAOYSA-N 2 2 299.415 0.424 20 0 CCADLP C[C@H](O)CNc1cc(NC[C@H](C)[NH+](C)C)nc[nH+]1 ZINC000298229790 200366144 /nfs/dbraw/zinc/36/61/44/200366144.db2.gz KUALVLGGNMAKAF-UWVGGRQHSA-N 2 2 253.350 0.631 20 0 CCADLP CCCNC(=O)[C@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000563357400 291216378 /nfs/dbraw/zinc/21/63/78/291216378.db2.gz VIQMCUJXKLVHKX-NSHDSACASA-N 2 2 265.361 0.446 20 0 CCADLP COC(=O)C1(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)CCCC1 ZINC000593909240 360205170 /nfs/dbraw/zinc/20/51/70/360205170.db2.gz IULHSXWGXGONCX-NSHDSACASA-N 2 2 285.388 0.115 20 0 CCADLP COC(=O)Cc1cccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000593904038 360202601 /nfs/dbraw/zinc/20/26/01/360202601.db2.gz QGJHTBOATZEGNL-CYBMUJFWSA-N 2 2 293.367 0.620 20 0 CCADLP CC(C)OC(=O)CCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593906686 360203675 /nfs/dbraw/zinc/20/36/75/360203675.db2.gz LFFJLDQDLDJLRY-NSHDSACASA-N 2 2 273.377 0.113 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655922556 412698500 /nfs/dbraw/zinc/69/85/00/412698500.db2.gz WEXXTOCVQZVUFB-SECBINFHSA-N 2 2 293.293 0.804 20 0 CCADLP C[NH+](C)C(C)(C)C[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000595139453 360443260 /nfs/dbraw/zinc/44/32/60/360443260.db2.gz QMRRQJLEFSOTRG-NSHDSACASA-N 2 2 251.378 0.855 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000594943213 360422960 /nfs/dbraw/zinc/42/29/60/360422960.db2.gz AZOYLVGRZDZHAB-MVWJERBFSA-N 2 2 251.330 0.750 20 0 CCADLP CC[N@H+](CCO)CC[NH2+][C@H](C)[C@@H]1C[C@H]1C(=O)OC ZINC000594946598 360424255 /nfs/dbraw/zinc/42/42/55/360424255.db2.gz QLLXMWPIPHIBTK-GRYCIOLGSA-N 2 2 258.362 0.088 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+][C@H](C)[C@@H]1C[C@H]1C(=O)OC ZINC000594946598 360424263 /nfs/dbraw/zinc/42/42/63/360424263.db2.gz QLLXMWPIPHIBTK-GRYCIOLGSA-N 2 2 258.362 0.088 20 0 CCADLP c1nc(N2CCCC2)ncc1C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000563427485 291228403 /nfs/dbraw/zinc/22/84/03/291228403.db2.gz HXQZMPAWVVPUTG-ZDUSSCGKSA-N 2 2 261.373 0.918 20 0 CCADLP COC(=O)[C@](C)(CO)[NH2+]CCCn1cc[nH+]c1C ZINC000595532286 360568586 /nfs/dbraw/zinc/56/85/86/360568586.db2.gz QCTNHAZQORHBKJ-LBPRGKRZSA-N 2 2 255.318 0.095 20 0 CCADLP COC(=O)CCN1CCC[C@H]([NH2+]CC2([NH3+])CCC2)C1=O ZINC000595887509 360691484 /nfs/dbraw/zinc/69/14/84/360691484.db2.gz DKINDKLPWUTLCT-NSHDSACASA-N 2 2 283.372 0.012 20 0 CCADLP C[NH2+]CCC[N@H+](C)[C@H]1CCCN(CCC(=O)OC)C1=O ZINC000595890983 360692012 /nfs/dbraw/zinc/69/20/12/360692012.db2.gz GWGNYJGLPYLTPE-LBPRGKRZSA-N 2 2 285.388 0.082 20 0 CCADLP C[NH2+]CCC[N@@H+](C)[C@H]1CCCN(CCC(=O)OC)C1=O ZINC000595890983 360692017 /nfs/dbraw/zinc/69/20/17/360692017.db2.gz GWGNYJGLPYLTPE-LBPRGKRZSA-N 2 2 285.388 0.082 20 0 CCADLP COC(=O)c1cc(C[N@H+](C)C[C@@H](O)C[NH3+])cs1 ZINC000595892689 360693094 /nfs/dbraw/zinc/69/30/94/360693094.db2.gz OIYOEKYJUKUXTM-VIFPVBQESA-N 2 2 258.343 0.286 20 0 CCADLP COC(=O)c1cc(C[N@@H+](C)C[C@@H](O)C[NH3+])cs1 ZINC000595892689 360693097 /nfs/dbraw/zinc/69/30/97/360693097.db2.gz OIYOEKYJUKUXTM-VIFPVBQESA-N 2 2 258.343 0.286 20 0 CCADLP C[NH2+]CC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000178853498 189150197 /nfs/dbraw/zinc/15/01/97/189150197.db2.gz SKKPNAVMSKULEE-UHFFFAOYSA-N 2 2 272.352 0.961 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cnn2ccccc12 ZINC000178999953 189160459 /nfs/dbraw/zinc/16/04/59/189160459.db2.gz KJKUOJZHVICSTH-CQSZACIVSA-N 2 2 262.357 0.737 20 0 CCADLP Cc1cnc(OC2CC[NH+](C[C@@H](C)[NH3+])CC2)nc1 ZINC000655945357 412709593 /nfs/dbraw/zinc/70/95/93/412709593.db2.gz BAGHOHIQQPNBHY-LLVKDONJSA-N 2 2 250.346 0.975 20 0 CCADLP CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1c[nH+]c(C)n1C ZINC000563635469 291244100 /nfs/dbraw/zinc/24/41/00/291244100.db2.gz HTHUBFDAIKQGJD-JTQLQIEISA-N 2 2 274.390 0.146 20 0 CCADLP CCNc1nc(NC(C)(C)C)nc(N[C@@H](C)C[C@H](C)[NH3+])[nH+]1 ZINC000563713169 291248279 /nfs/dbraw/zinc/24/82/79/291248279.db2.gz GRGMKLOARWXDPQ-UWVGGRQHSA-N 2 2 295.435 0.895 20 0 CCADLP CCNc1nc(N[C@@H](C)C[C@H](C)[NH3+])nc(NC(C)(C)C)[nH+]1 ZINC000563713169 291248281 /nfs/dbraw/zinc/24/82/81/291248281.db2.gz GRGMKLOARWXDPQ-UWVGGRQHSA-N 2 2 295.435 0.895 20 0 CCADLP CCNc1nc(N[C@@H](C)C[C@H](C)[NH3+])[nH+]c(NC(C)(C)C)n1 ZINC000563713169 291248282 /nfs/dbraw/zinc/24/82/82/291248282.db2.gz GRGMKLOARWXDPQ-UWVGGRQHSA-N 2 2 295.435 0.895 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000563806357 291251170 /nfs/dbraw/zinc/25/11/70/291251170.db2.gz SBFMGTLMWNQWMC-CVEARBPZSA-N 2 2 295.402 0.565 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000563806357 291251171 /nfs/dbraw/zinc/25/11/71/291251171.db2.gz SBFMGTLMWNQWMC-CVEARBPZSA-N 2 2 295.402 0.565 20 0 CCADLP C(C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)N1CC[NH2+]CC1 ZINC000563811572 291252295 /nfs/dbraw/zinc/25/22/95/291252295.db2.gz BJAKPZKTFPECBB-WBVHZDCISA-N 3 2 292.471 0.840 20 0 CCADLP C(C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)N1CC[NH2+]CC1 ZINC000563811572 291252297 /nfs/dbraw/zinc/25/22/97/291252297.db2.gz BJAKPZKTFPECBB-WBVHZDCISA-N 3 2 292.471 0.840 20 0 CCADLP C(C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CC[NH2+]CC1 ZINC000563811572 291252298 /nfs/dbraw/zinc/25/22/98/291252298.db2.gz BJAKPZKTFPECBB-WBVHZDCISA-N 3 2 292.471 0.840 20 0 CCADLP C(C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CC[NH2+]CC1 ZINC000563811572 291252300 /nfs/dbraw/zinc/25/23/00/291252300.db2.gz BJAKPZKTFPECBB-WBVHZDCISA-N 3 2 292.471 0.840 20 0 CCADLP CN(C(=O)/C=C\c1[nH]cc[nH+]1)[C@@H]1C[NH+]2CCC1CC2 ZINC000493799144 238389299 /nfs/dbraw/zinc/38/92/99/238389299.db2.gz ZQBHNPGHEJWKPT-ZZKXABKFSA-N 2 2 260.341 0.976 20 0 CCADLP COC(=O)[C@@H]([N@@H+]1CC[C@@H](C[NH+](C)C)C1)C1(OC)CCC1 ZINC000347821886 291258985 /nfs/dbraw/zinc/25/89/85/291258985.db2.gz YUJVDXYCOOJJRB-QWHCGFSZSA-N 2 2 284.400 0.981 20 0 CCADLP COC(=O)[C@@H]([N@H+]1CC[C@@H](C[NH+](C)C)C1)C1(OC)CCC1 ZINC000347821886 291258987 /nfs/dbraw/zinc/25/89/87/291258987.db2.gz YUJVDXYCOOJJRB-QWHCGFSZSA-N 2 2 284.400 0.981 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CCS(=O)(=O)NC)[C@H](C)C1 ZINC000621267239 366693658 /nfs/dbraw/zinc/69/36/58/366693658.db2.gz SOMIQGSLYBMZID-VXGBXAGGSA-N 2 2 277.434 0.198 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CCS(=O)(=O)NC)[C@H](C)C1 ZINC000621267239 366693662 /nfs/dbraw/zinc/69/36/62/366693662.db2.gz SOMIQGSLYBMZID-VXGBXAGGSA-N 2 2 277.434 0.198 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CCS(=O)(=O)NC)[C@H](C)C1 ZINC000621267239 366693663 /nfs/dbraw/zinc/69/36/63/366693663.db2.gz SOMIQGSLYBMZID-VXGBXAGGSA-N 2 2 277.434 0.198 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CCS(=O)(=O)NC)[C@H](C)C1 ZINC000621267239 366693667 /nfs/dbraw/zinc/69/36/67/366693667.db2.gz SOMIQGSLYBMZID-VXGBXAGGSA-N 2 2 277.434 0.198 20 0 CCADLP CS[C@@H](C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000597990196 361299232 /nfs/dbraw/zinc/29/92/32/361299232.db2.gz QSRDNPDDKLLWPB-NSHDSACASA-N 2 2 261.435 0.738 20 0 CCADLP CS[C@@H](C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000597990196 361299238 /nfs/dbraw/zinc/29/92/38/361299238.db2.gz QSRDNPDDKLLWPB-NSHDSACASA-N 2 2 261.435 0.738 20 0 CCADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccccn1 ZINC000631822388 370686688 /nfs/dbraw/zinc/68/66/88/370686688.db2.gz AVMFZQYRDJYDCT-ZDUSSCGKSA-N 2 2 250.346 0.983 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000563992232 291262630 /nfs/dbraw/zinc/26/26/30/291262630.db2.gz DGQBBWMNIHXXKE-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000563992232 291262631 /nfs/dbraw/zinc/26/26/31/291262631.db2.gz DGQBBWMNIHXXKE-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP CCCn1nccc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000631824221 370689603 /nfs/dbraw/zinc/68/96/03/370689603.db2.gz YTBJYVUDBRLTSP-AVGNSLFASA-N 2 2 291.399 0.901 20 0 CCADLP CCCn1nccc1NC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000631824221 370689608 /nfs/dbraw/zinc/68/96/08/370689608.db2.gz YTBJYVUDBRLTSP-AVGNSLFASA-N 2 2 291.399 0.901 20 0 CCADLP CCCn1nccc1NC(=O)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000631828126 370694225 /nfs/dbraw/zinc/69/42/25/370694225.db2.gz GANXLQMOAFWPLN-UHFFFAOYSA-N 2 2 295.387 0.017 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC(C)(C)CC[C@H]1CO ZINC000621381399 366756416 /nfs/dbraw/zinc/75/64/16/366756416.db2.gz SHDSKRWHVPFBDT-KBPBESRZSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC(C)(C)CC[C@H]1CO ZINC000621381399 366756422 /nfs/dbraw/zinc/75/64/22/366756422.db2.gz SHDSKRWHVPFBDT-KBPBESRZSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC(C)(C)CC[C@H]1CO ZINC000621381399 366756426 /nfs/dbraw/zinc/75/64/26/366756426.db2.gz SHDSKRWHVPFBDT-KBPBESRZSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC(C)(C)CC[C@H]1CO ZINC000621381399 366756434 /nfs/dbraw/zinc/75/64/34/366756434.db2.gz SHDSKRWHVPFBDT-KBPBESRZSA-N 2 2 288.432 0.408 20 0 CCADLP C[C@@H](CNC(=O)N1CC[NH2+]CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970802 412719900 /nfs/dbraw/zinc/71/99/00/412719900.db2.gz MKQQBRBHJFGLJA-RWMBFGLXSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H](CNC(=O)N1CC[NH2+]CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970802 412719905 /nfs/dbraw/zinc/71/99/05/412719905.db2.gz MKQQBRBHJFGLJA-RWMBFGLXSA-N 2 2 284.404 0.099 20 0 CCADLP [NH3+]CC[N@H+](C[C@H](O)CO)C[C@@H]1CCC(F)(F)C1 ZINC000631829237 370695776 /nfs/dbraw/zinc/69/57/76/370695776.db2.gz LKMQLKVBATZRBK-ZJUUUORDSA-N 2 2 252.305 0.036 20 0 CCADLP [NH3+]CC[N@@H+](C[C@H](O)CO)C[C@@H]1CCC(F)(F)C1 ZINC000631829237 370695782 /nfs/dbraw/zinc/69/57/82/370695782.db2.gz LKMQLKVBATZRBK-ZJUUUORDSA-N 2 2 252.305 0.036 20 0 CCADLP C[N@H+](CCOCC[NH3+])Cc1nc(-c2cccnc2)no1 ZINC000564454194 291280882 /nfs/dbraw/zinc/28/08/82/291280882.db2.gz PSEDMSLVMIPYMP-UHFFFAOYSA-N 2 2 277.328 0.539 20 0 CCADLP C[N@@H+](CCOCC[NH3+])Cc1nc(-c2cccnc2)no1 ZINC000564454194 291280884 /nfs/dbraw/zinc/28/08/84/291280884.db2.gz PSEDMSLVMIPYMP-UHFFFAOYSA-N 2 2 277.328 0.539 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000599302216 361643349 /nfs/dbraw/zinc/64/33/49/361643349.db2.gz AVSOIDGAXPQBPI-KBPBESRZSA-N 2 2 286.416 0.964 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000599302216 361643352 /nfs/dbraw/zinc/64/33/52/361643352.db2.gz AVSOIDGAXPQBPI-KBPBESRZSA-N 2 2 286.416 0.964 20 0 CCADLP CN(CCCn1cc[nH+]c1)c1cc[nH+]cc1C(N)=O ZINC000302147150 201364790 /nfs/dbraw/zinc/36/47/90/201364790.db2.gz JVJFZEHTNBTLIQ-UHFFFAOYSA-N 2 2 259.313 0.904 20 0 CCADLP Cc1c(C[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)cnn1C ZINC000564652356 291290606 /nfs/dbraw/zinc/29/06/06/291290606.db2.gz ZBOHDNLUJWEILS-JMSVASOKSA-N 2 2 296.415 0.288 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612997079 364081268 /nfs/dbraw/zinc/08/12/68/364081268.db2.gz UYYQASPPUVCDFB-NSHDSACASA-N 2 2 263.345 0.693 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612997079 364081274 /nfs/dbraw/zinc/08/12/74/364081274.db2.gz UYYQASPPUVCDFB-NSHDSACASA-N 2 2 263.345 0.693 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N[C@]1(C)CC[NH2+]C1)[NH+]1CCOCC1 ZINC000612879010 364032171 /nfs/dbraw/zinc/03/21/71/364032171.db2.gz QFBBNSFIKTYFNO-OUCADQQQSA-N 2 2 284.404 0.147 20 0 CCADLP C[C@@]1(NC(=O)N[C@H]2CCn3cc[nH+]c3C2)CC[NH2+]C1 ZINC000612903424 364039169 /nfs/dbraw/zinc/03/91/69/364039169.db2.gz YZVIMGVRSMBQLQ-GXFFZTMASA-N 2 2 263.345 0.249 20 0 CCADLP C[C@@H](NC(=O)N[C@]1(C)CC[NH2+]C1)c1[nH+]ccn1C ZINC000612929182 364048548 /nfs/dbraw/zinc/04/85/48/364048548.db2.gz FOVPXPIAAOSGOS-BXKDBHETSA-N 2 2 251.334 0.532 20 0 CCADLP CN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000613260499 364185805 /nfs/dbraw/zinc/18/58/05/364185805.db2.gz WMKKYRNTXNUNFQ-VXGBXAGGSA-N 2 2 264.373 0.934 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCC(=O)Nc1ccccn1 ZINC000564825465 291303149 /nfs/dbraw/zinc/30/31/49/291303149.db2.gz IYWUBGPZHUINQU-STQMWFEESA-N 2 2 292.383 0.767 20 0 CCADLP CCN(CC)C(=O)[C@@H](C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631865109 370724584 /nfs/dbraw/zinc/72/45/84/370724584.db2.gz ZJRPJPSUXLSWGH-GFCCVEGCSA-N 2 2 271.405 0.290 20 0 CCADLP CC(C)CNC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631888317 370737707 /nfs/dbraw/zinc/73/77/07/370737707.db2.gz YASCVXACEXVRSD-QWHCGFSZSA-N 2 2 253.390 0.833 20 0 CCADLP CC(C)CNC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631888317 370737711 /nfs/dbraw/zinc/73/77/11/370737711.db2.gz YASCVXACEXVRSD-QWHCGFSZSA-N 2 2 253.390 0.833 20 0 CCADLP CCCCNC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631886734 370737823 /nfs/dbraw/zinc/73/78/23/370737823.db2.gz LXPJLBTWTAPHGC-OLZOCXBDSA-N 2 2 253.390 0.977 20 0 CCADLP CCCCNC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631886734 370737827 /nfs/dbraw/zinc/73/78/27/370737827.db2.gz LXPJLBTWTAPHGC-OLZOCXBDSA-N 2 2 253.390 0.977 20 0 CCADLP CN(CC1CC1)C(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631888149 370738022 /nfs/dbraw/zinc/73/80/22/370738022.db2.gz UGVJRPCNORRSIH-KGLIPLIRSA-N 2 2 265.401 0.929 20 0 CCADLP CN(CC1CC1)C(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631888149 370738031 /nfs/dbraw/zinc/73/80/31/370738031.db2.gz UGVJRPCNORRSIH-KGLIPLIRSA-N 2 2 265.401 0.929 20 0 CCADLP CS(=O)(=O)CCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631887134 370738499 /nfs/dbraw/zinc/73/84/99/370738499.db2.gz MHDSEZQNPJVIPH-RYUDHWBXSA-N 2 2 260.403 0.495 20 0 CCADLP CS(=O)(=O)CCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631887134 370738502 /nfs/dbraw/zinc/73/85/02/370738502.db2.gz MHDSEZQNPJVIPH-RYUDHWBXSA-N 2 2 260.403 0.495 20 0 CCADLP C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCc3[nH+]c[nH]c3C1)C2 ZINC000614035594 364469619 /nfs/dbraw/zinc/46/96/19/364469619.db2.gz VARZCBDDXJKQFA-NSHDSACASA-N 2 2 274.368 0.679 20 0 CCADLP C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCc3[nH]c[nH+]c3C1)C2 ZINC000614035594 364469626 /nfs/dbraw/zinc/46/96/26/364469626.db2.gz VARZCBDDXJKQFA-NSHDSACASA-N 2 2 274.368 0.679 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000564941463 291322260 /nfs/dbraw/zinc/32/22/60/291322260.db2.gz APWQLAZZYXPIBJ-WFASDCNBSA-N 2 2 299.415 0.505 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000564941463 291322262 /nfs/dbraw/zinc/32/22/62/291322262.db2.gz APWQLAZZYXPIBJ-WFASDCNBSA-N 2 2 299.415 0.505 20 0 CCADLP CC(C)c1cc(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc(=O)[nH]1 ZINC000564944272 291322717 /nfs/dbraw/zinc/32/27/17/291322717.db2.gz OUUVAQPSRQGVJC-GFCCVEGCSA-N 2 2 292.383 0.626 20 0 CCADLP CC(C)c1cc(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc(=O)[nH]1 ZINC000564944272 291322719 /nfs/dbraw/zinc/32/27/19/291322719.db2.gz OUUVAQPSRQGVJC-GFCCVEGCSA-N 2 2 292.383 0.626 20 0 CCADLP C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000615262559 364897883 /nfs/dbraw/zinc/89/78/83/364897883.db2.gz BPBRAFJKXNKMJU-OLZOCXBDSA-N 2 2 292.383 0.664 20 0 CCADLP C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000615262559 364897887 /nfs/dbraw/zinc/89/78/87/364897887.db2.gz BPBRAFJKXNKMJU-OLZOCXBDSA-N 2 2 292.383 0.664 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000615315825 364918772 /nfs/dbraw/zinc/91/87/72/364918772.db2.gz UTSQTBFKYWJLNT-FRRDWIJNSA-N 2 2 269.389 0.258 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000615315825 364918775 /nfs/dbraw/zinc/91/87/75/364918775.db2.gz UTSQTBFKYWJLNT-FRRDWIJNSA-N 2 2 269.389 0.258 20 0 CCADLP C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000615314903 364918872 /nfs/dbraw/zinc/91/88/72/364918872.db2.gz QGMQECDDGXDLCZ-UONOGXRCSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000615535755 364994165 /nfs/dbraw/zinc/99/41/65/364994165.db2.gz PFELZIZLWFAUAA-GJZGRUSLSA-N 2 2 295.427 0.651 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000615535755 364994172 /nfs/dbraw/zinc/99/41/72/364994172.db2.gz PFELZIZLWFAUAA-GJZGRUSLSA-N 2 2 295.427 0.651 20 0 CCADLP CC1(C)C[NH+](CC(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000615537068 364996827 /nfs/dbraw/zinc/99/68/27/364996827.db2.gz XSDCJUIZKVLXOE-AWEZNQCLSA-N 2 2 295.427 0.651 20 0 CCADLP O=C(COC1C[NH2+]C1)NCc1ccccc1-n1cc[nH+]c1 ZINC000423756662 283854173 /nfs/dbraw/zinc/85/41/73/283854173.db2.gz HHJCJBIZLMNEDI-UHFFFAOYSA-N 2 2 286.335 0.477 20 0 CCADLP COC(=O)C1(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)CC1 ZINC000565156710 291348392 /nfs/dbraw/zinc/34/83/92/291348392.db2.gz JVJOXDWXIIFQKC-UHFFFAOYSA-N 2 2 264.329 0.485 20 0 CCADLP CCS(=O)(=O)NCCC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621784471 366867908 /nfs/dbraw/zinc/86/79/08/366867908.db2.gz PMKPJWPWXHAAIB-RYUDHWBXSA-N 2 2 275.418 0.129 20 0 CCADLP CCS(=O)(=O)NCCC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621784471 366867910 /nfs/dbraw/zinc/86/79/10/366867910.db2.gz PMKPJWPWXHAAIB-RYUDHWBXSA-N 2 2 275.418 0.129 20 0 CCADLP CC[C@H](C(=O)NC[C@H](C)[NH+](C)C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000616489193 365340798 /nfs/dbraw/zinc/34/07/98/365340798.db2.gz RFSVTIPDKCAVGZ-MELADBBJSA-N 2 2 285.432 0.942 20 0 CCADLP CC[C@H](C(=O)NC[C@H](C)[NH+](C)C)[N@H+]1CCO[C@@H](CC)C1 ZINC000616489193 365340802 /nfs/dbraw/zinc/34/08/02/365340802.db2.gz RFSVTIPDKCAVGZ-MELADBBJSA-N 2 2 285.432 0.942 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000616926987 365471716 /nfs/dbraw/zinc/47/17/16/365471716.db2.gz XQEPZCVBFYRPIS-LLVKDONJSA-N 2 2 266.345 0.336 20 0 CCADLP C[C@H]1C[N@H+](C)CCN1C(=O)c1conc1C(C)(C)[NH3+] ZINC000565212720 291360829 /nfs/dbraw/zinc/36/08/29/291360829.db2.gz CMBHICKVXBIXQJ-VIFPVBQESA-N 2 2 266.345 0.645 20 0 CCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)c1conc1C(C)(C)[NH3+] ZINC000565212720 291360831 /nfs/dbraw/zinc/36/08/31/291360831.db2.gz CMBHICKVXBIXQJ-VIFPVBQESA-N 2 2 266.345 0.645 20 0 CCADLP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000263069021 296093252 /nfs/dbraw/zinc/09/32/52/296093252.db2.gz WFFPNCNICWLQPG-WDEREUQCSA-N 2 2 273.327 0.680 20 0 CCADLP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000263069021 296093254 /nfs/dbraw/zinc/09/32/54/296093254.db2.gz WFFPNCNICWLQPG-WDEREUQCSA-N 2 2 273.327 0.680 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000622630181 367230328 /nfs/dbraw/zinc/23/03/28/367230328.db2.gz LEBWZJZRACNRKJ-ZDUSSCGKSA-N 2 2 280.372 0.236 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000622630181 367230333 /nfs/dbraw/zinc/23/03/33/367230333.db2.gz LEBWZJZRACNRKJ-ZDUSSCGKSA-N 2 2 280.372 0.236 20 0 CCADLP CC[C@H](C)[C@H](O)C[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000566234614 291381084 /nfs/dbraw/zinc/38/10/84/291381084.db2.gz RSPZFUWGDXWUEZ-YYFQZIEXSA-N 2 2 288.432 0.453 20 0 CCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)CCc1c[nH+]cn1C ZINC000622728755 367362386 /nfs/dbraw/zinc/36/23/86/367362386.db2.gz JZRUDILLNFQXCU-ZDUSSCGKSA-N 2 2 264.373 0.905 20 0 CCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)CCc1c[nH+]cn1C ZINC000622728755 367362389 /nfs/dbraw/zinc/36/23/89/367362389.db2.gz JZRUDILLNFQXCU-ZDUSSCGKSA-N 2 2 264.373 0.905 20 0 CCADLP C[C@]1(F)C[NH2+]CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000623178930 367467518 /nfs/dbraw/zinc/46/75/18/367467518.db2.gz NNOIDCWWYBVPBN-FZMZJTMJSA-N 2 2 280.347 0.606 20 0 CCADLP [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@H]1CCn3cc[nH+]c3C1)C2 ZINC000623180626 367469754 /nfs/dbraw/zinc/46/97/54/367469754.db2.gz QYRPKAAXFUAAKX-ZOWXZIJZSA-N 2 2 274.368 0.785 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC2(CC2(F)F)C1 ZINC000656153876 412753717 /nfs/dbraw/zinc/75/37/17/412753717.db2.gz DNEYUGSPEOCRAT-JTQLQIEISA-N 2 2 264.316 0.267 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC2(CC2(F)F)C1 ZINC000656153876 412753720 /nfs/dbraw/zinc/75/37/20/412753720.db2.gz DNEYUGSPEOCRAT-JTQLQIEISA-N 2 2 264.316 0.267 20 0 CCADLP CCc1ncc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cn1 ZINC000623619440 367606222 /nfs/dbraw/zinc/60/62/22/367606222.db2.gz GCYYMJCHWKWALX-ZDUSSCGKSA-N 2 2 291.399 0.468 20 0 CCADLP CCc1ncc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cn1 ZINC000623619440 367606224 /nfs/dbraw/zinc/60/62/24/367606224.db2.gz GCYYMJCHWKWALX-ZDUSSCGKSA-N 2 2 291.399 0.468 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000623709996 367625340 /nfs/dbraw/zinc/62/53/40/367625340.db2.gz PTQKEUNKMQAPLO-OCCSQVGLSA-N 2 2 296.415 0.101 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000623709996 367625344 /nfs/dbraw/zinc/62/53/44/367625344.db2.gz PTQKEUNKMQAPLO-OCCSQVGLSA-N 2 2 296.415 0.101 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000623709996 367625351 /nfs/dbraw/zinc/62/53/51/367625351.db2.gz PTQKEUNKMQAPLO-OCCSQVGLSA-N 2 2 296.415 0.101 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000623709996 367625354 /nfs/dbraw/zinc/62/53/54/367625354.db2.gz PTQKEUNKMQAPLO-OCCSQVGLSA-N 2 2 296.415 0.101 20 0 CCADLP COCCOc1cccc(C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)c1 ZINC000623758194 367646902 /nfs/dbraw/zinc/64/69/02/367646902.db2.gz SCUWBOSDLXEGEZ-OAHLLOKOSA-N 2 2 294.395 0.868 20 0 CCADLP COCCOc1cccc(C[NH2+]CC[N@H+]2CC[C@@H](O)C2)c1 ZINC000623758194 367646906 /nfs/dbraw/zinc/64/69/06/367646906.db2.gz SCUWBOSDLXEGEZ-OAHLLOKOSA-N 2 2 294.395 0.868 20 0 CCADLP COCC1CCC([NH2+]CC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000623838077 367674382 /nfs/dbraw/zinc/67/43/82/367674382.db2.gz FYESJWSPJHLKOI-RUXDESIVSA-N 2 2 256.390 0.848 20 0 CCADLP COCC1CCC([NH2+]CC[N@H+]2CC[C@H](O)C2)CC1 ZINC000623838077 367674389 /nfs/dbraw/zinc/67/43/89/367674389.db2.gz FYESJWSPJHLKOI-RUXDESIVSA-N 2 2 256.390 0.848 20 0 CCADLP C[C@H](NC(=O)NC[C@@H]1COCC[N@@H+]1C)C1=CC[NH+](C)CC1 ZINC000623873708 367683751 /nfs/dbraw/zinc/68/37/51/367683751.db2.gz OZVVBFWZYMLYJI-GXTWGEPZSA-N 2 2 296.415 0.267 20 0 CCADLP C[C@H](NC(=O)NC[C@@H]1COCC[N@H+]1C)C1=CC[NH+](C)CC1 ZINC000623873708 367683755 /nfs/dbraw/zinc/68/37/55/367683755.db2.gz OZVVBFWZYMLYJI-GXTWGEPZSA-N 2 2 296.415 0.267 20 0 CCADLP C[C@H](NC(=O)NC[C@@H]1COCC[NH+]1C)C1=CC[N@H+](C)CC1 ZINC000623873708 367683762 /nfs/dbraw/zinc/68/37/62/367683762.db2.gz OZVVBFWZYMLYJI-GXTWGEPZSA-N 2 2 296.415 0.267 20 0 CCADLP C[C@H](NC(=O)NC[C@@H]1COCC[NH+]1C)C1=CC[N@@H+](C)CC1 ZINC000623873708 367683768 /nfs/dbraw/zinc/68/37/68/367683768.db2.gz OZVVBFWZYMLYJI-GXTWGEPZSA-N 2 2 296.415 0.267 20 0 CCADLP Nc1nc(N)[nH+]c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000624055645 367739428 /nfs/dbraw/zinc/73/94/28/367739428.db2.gz KZBAUXSGJAXYRI-GXSJLCMTSA-N 2 2 289.387 0.150 20 0 CCADLP Nc1nc(N)[nH+]c(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000624055645 367739431 /nfs/dbraw/zinc/73/94/31/367739431.db2.gz KZBAUXSGJAXYRI-GXSJLCMTSA-N 2 2 289.387 0.150 20 0 CCADLP C[C@H](Cc1cnccn1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624086419 367749539 /nfs/dbraw/zinc/74/95/39/367749539.db2.gz FDOWPTDOZVDSMU-OCCSQVGLSA-N 2 2 291.399 0.337 20 0 CCADLP C[C@H](Cc1cnccn1)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624086419 367749544 /nfs/dbraw/zinc/74/95/44/367749544.db2.gz FDOWPTDOZVDSMU-OCCSQVGLSA-N 2 2 291.399 0.337 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000624137160 367762858 /nfs/dbraw/zinc/76/28/58/367762858.db2.gz DUQUTYAJNKLIJE-LPWJVIDDSA-N 2 2 289.445 0.387 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000624137160 367762862 /nfs/dbraw/zinc/76/28/62/367762862.db2.gz DUQUTYAJNKLIJE-LPWJVIDDSA-N 2 2 289.445 0.387 20 0 CCADLP C/C=C/C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000624197898 367787324 /nfs/dbraw/zinc/78/73/24/367787324.db2.gz ZPSZKBKHILZLHU-NSCUHMNNSA-N 2 2 267.417 0.949 20 0 CCADLP C/C=C/C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000624197898 367787328 /nfs/dbraw/zinc/78/73/28/367787328.db2.gz ZPSZKBKHILZLHU-NSCUHMNNSA-N 2 2 267.417 0.949 20 0 CCADLP CC(C)(C)OC1CC([NH2+]CC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000624230230 367796180 /nfs/dbraw/zinc/79/61/80/367796180.db2.gz RGZROZPKNJXGRB-OTTFEQOBSA-N 2 2 256.390 0.989 20 0 CCADLP CC(C)(C)OC1CC([NH2+]CC[N@H+]2CC[C@@H](O)C2)C1 ZINC000624230230 367796186 /nfs/dbraw/zinc/79/61/86/367796186.db2.gz RGZROZPKNJXGRB-OTTFEQOBSA-N 2 2 256.390 0.989 20 0 CCADLP C[C@H](Cc1cnccn1)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624230988 367798278 /nfs/dbraw/zinc/79/82/78/367798278.db2.gz MTMPXZTUIPEZEX-DGCLKSJQSA-N 2 2 250.346 0.064 20 0 CCADLP C[C@H](Cc1cnccn1)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624230988 367798281 /nfs/dbraw/zinc/79/82/81/367798281.db2.gz MTMPXZTUIPEZEX-DGCLKSJQSA-N 2 2 250.346 0.064 20 0 CCADLP C[N@@H+]1CCN(c2nc(N)[nH+]c(N)n2)[C@H](Cc2ccccc2)C1 ZINC000624352129 367842919 /nfs/dbraw/zinc/84/29/19/367842919.db2.gz JBVCWVQUEYEWIL-GFCCVEGCSA-N 2 2 299.382 0.060 20 0 CCADLP C[N@H+]1CCN(c2nc(N)[nH+]c(N)n2)[C@H](Cc2ccccc2)C1 ZINC000624352129 367842921 /nfs/dbraw/zinc/84/29/21/367842921.db2.gz JBVCWVQUEYEWIL-GFCCVEGCSA-N 2 2 299.382 0.060 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NC[C@@H]1CCCC[NH+](C)C1 ZINC000624609114 367927469 /nfs/dbraw/zinc/92/74/69/367927469.db2.gz ORBJYEKTCTYTNX-KBPBESRZSA-N 2 2 298.431 0.348 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NC[C@@H]1CCCC[NH+](C)C1 ZINC000624609114 367927474 /nfs/dbraw/zinc/92/74/74/367927474.db2.gz ORBJYEKTCTYTNX-KBPBESRZSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624609114 367927481 /nfs/dbraw/zinc/92/74/81/367927481.db2.gz ORBJYEKTCTYTNX-KBPBESRZSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624609114 367927488 /nfs/dbraw/zinc/92/74/88/367927488.db2.gz ORBJYEKTCTYTNX-KBPBESRZSA-N 2 2 298.431 0.348 20 0 CCADLP CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@H]2COCC[NH+]2C)C[C@H]1C ZINC000624734426 367974175 /nfs/dbraw/zinc/97/41/75/367974175.db2.gz RYCFOOPAXDVTFP-RDBSUJKOSA-N 2 2 298.431 0.441 20 0 CCADLP CC[N@H+]1C[C@H](C)N(C(=O)NC[C@H]2COCC[NH+]2C)C[C@H]1C ZINC000624734426 367974181 /nfs/dbraw/zinc/97/41/81/367974181.db2.gz RYCFOOPAXDVTFP-RDBSUJKOSA-N 2 2 298.431 0.441 20 0 CCADLP CC[NH+]1C[C@H](C)N(C(=O)NC[C@H]2COCC[N@@H+]2C)C[C@H]1C ZINC000624734426 367974185 /nfs/dbraw/zinc/97/41/85/367974185.db2.gz RYCFOOPAXDVTFP-RDBSUJKOSA-N 2 2 298.431 0.441 20 0 CCADLP CC[NH+]1C[C@H](C)N(C(=O)NC[C@H]2COCC[N@H+]2C)C[C@H]1C ZINC000624734426 367974191 /nfs/dbraw/zinc/97/41/91/367974191.db2.gz RYCFOOPAXDVTFP-RDBSUJKOSA-N 2 2 298.431 0.441 20 0 CCADLP Cn1cc(CC[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)nn1 ZINC000625263290 368122577 /nfs/dbraw/zinc/12/25/77/368122577.db2.gz CUZYKVJOBGYYHO-LLVKDONJSA-N 2 2 260.345 0.581 20 0 CCADLP Cn1cc(CC[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)nn1 ZINC000625263290 368122583 /nfs/dbraw/zinc/12/25/83/368122583.db2.gz CUZYKVJOBGYYHO-LLVKDONJSA-N 2 2 260.345 0.581 20 0 CCADLP Cc1ncncc1[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000566476444 291415237 /nfs/dbraw/zinc/41/52/37/291415237.db2.gz ZJHXJXPVHYTGND-AAEUAGOBSA-N 2 2 264.373 0.892 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@H]1CCC[N@H+](C)C1)CC2 ZINC000625295499 368137749 /nfs/dbraw/zinc/13/77/49/368137749.db2.gz BAEQICPCPAUFSA-QWHCGFSZSA-N 2 2 276.384 0.964 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000625333227 368151281 /nfs/dbraw/zinc/15/12/81/368151281.db2.gz FXUBMOISALVWQW-ZIAGYGMSSA-N 2 2 292.383 0.249 20 0 CCADLP CCOC[C@@H](O)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625551975 368242573 /nfs/dbraw/zinc/24/25/73/368242573.db2.gz IIXNBFBXSGCCEW-AWEZNQCLSA-N 2 2 272.389 0.180 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N(C)CC[NH+](C)C)CC2 ZINC000625969672 368379003 /nfs/dbraw/zinc/37/90/03/368379003.db2.gz OELLIRHHNGHGKE-LBPRGKRZSA-N 2 2 264.373 0.774 20 0 CCADLP CCC1([NH+]2CCOCC2)CC[NH+](CC2(CO)COC2)CC1 ZINC000626088167 368436122 /nfs/dbraw/zinc/43/61/22/368436122.db2.gz OGEFJBNSDDMADU-UHFFFAOYSA-N 2 2 298.427 0.572 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCOCC(F)F)C[C@@H](C)O1 ZINC000566733539 291433780 /nfs/dbraw/zinc/43/37/80/291433780.db2.gz DHESZEUZMKFOBG-UTUOFQBUSA-N 2 2 296.358 0.328 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000626939920 368689687 /nfs/dbraw/zinc/68/96/87/368689687.db2.gz PHGCZLNNMNPCBA-AEGPPILISA-N 2 2 291.399 0.913 20 0 CCADLP O=C(NCCCCn1cc[nH+]c1)N[C@@H]1CC[NH2+]C1 ZINC000626945866 368692714 /nfs/dbraw/zinc/69/27/14/368692714.db2.gz NGOAUYNXTNCXKO-LLVKDONJSA-N 2 2 251.334 0.324 20 0 CCADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000626912413 368674775 /nfs/dbraw/zinc/67/47/75/368674775.db2.gz LRXDAYXLTVLVMJ-GFCCVEGCSA-N 2 2 299.334 0.289 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000627077603 368774713 /nfs/dbraw/zinc/77/47/13/368774713.db2.gz FDGBYHHTRNOAPL-RWMBFGLXSA-N 2 2 284.404 0.134 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000627077603 368774715 /nfs/dbraw/zinc/77/47/15/368774715.db2.gz FDGBYHHTRNOAPL-RWMBFGLXSA-N 2 2 284.404 0.134 20 0 CCADLP C[NH2+]CCOCCN(C)C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000627051372 368757420 /nfs/dbraw/zinc/75/74/20/368757420.db2.gz BOITUOGIKQHKJH-RYUDHWBXSA-N 2 2 295.387 0.766 20 0 CCADLP C[C@@H](CCCC[NH3+])NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627093400 368792146 /nfs/dbraw/zinc/79/21/46/368792146.db2.gz NDJSOVMOXLFBRI-NWDGAFQWSA-N 2 2 272.393 0.134 20 0 CCADLP C[C@@H](CCCC[NH3+])NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627093400 368792149 /nfs/dbraw/zinc/79/21/49/368792149.db2.gz NDJSOVMOXLFBRI-NWDGAFQWSA-N 2 2 272.393 0.134 20 0 CCADLP C[C@H]1CC[C@@H](NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C[NH2+]1 ZINC000627207442 368878971 /nfs/dbraw/zinc/87/89/71/368878971.db2.gz REZACQWNRQFLFT-RFQIPJPRSA-N 2 2 296.415 0.289 20 0 CCADLP C[C@H]1CC[C@@H](NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C[NH2+]1 ZINC000627207442 368878973 /nfs/dbraw/zinc/87/89/73/368878973.db2.gz REZACQWNRQFLFT-RFQIPJPRSA-N 2 2 296.415 0.289 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@H]21 ZINC000627656278 369069460 /nfs/dbraw/zinc/06/94/60/369069460.db2.gz AFVGBSUBCJLOQY-VIKVFOODSA-N 2 2 288.395 0.780 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[NH+](CCCF)CC1 ZINC000627960750 369147568 /nfs/dbraw/zinc/14/75/68/369147568.db2.gz QOBLZEYFKJUVBQ-UHFFFAOYSA-N 2 2 268.336 0.466 20 0 CCADLP CC[N@H+](CC(=O)N1CC[NH+](CCCF)CC1)C1CC1 ZINC000627960358 369148497 /nfs/dbraw/zinc/14/84/97/369148497.db2.gz ZNTWVEAHABIGOU-UHFFFAOYSA-N 2 2 271.380 0.975 20 0 CCADLP CC[N@@H+](CC(=O)N1CC[NH+](CCCF)CC1)C1CC1 ZINC000627960358 369148499 /nfs/dbraw/zinc/14/84/99/369148499.db2.gz ZNTWVEAHABIGOU-UHFFFAOYSA-N 2 2 271.380 0.975 20 0 CCADLP O=C(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)NC1CC1 ZINC000656261171 412774803 /nfs/dbraw/zinc/77/48/03/412774803.db2.gz DGHJZDKRBVRBQI-AWEZNQCLSA-N 2 2 281.400 0.498 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N1CC[NH+](CCCF)CC1 ZINC000627957286 369146145 /nfs/dbraw/zinc/14/61/45/369146145.db2.gz USZQYFMWYRMMRB-UHFFFAOYSA-N 2 2 259.369 0.830 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](CCCF)CC1 ZINC000627957286 369146151 /nfs/dbraw/zinc/14/61/51/369146151.db2.gz USZQYFMWYRMMRB-UHFFFAOYSA-N 2 2 259.369 0.830 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000330692176 203122782 /nfs/dbraw/zinc/12/27/82/203122782.db2.gz ZOEPREBMDDGPGH-QWRGUYRKSA-N 2 2 250.346 0.512 20 0 CCADLP Cc1c[nH]c(CN2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)[nH+]1 ZINC000628299141 369235051 /nfs/dbraw/zinc/23/50/51/369235051.db2.gz DQEVTSOHDUBPIG-TXEJJXNPSA-N 2 2 252.362 0.605 20 0 CCADLP Cc1c[nH]c(CN2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)[nH+]1 ZINC000628299141 369235055 /nfs/dbraw/zinc/23/50/55/369235055.db2.gz DQEVTSOHDUBPIG-TXEJJXNPSA-N 2 2 252.362 0.605 20 0 CCADLP Cc1c[nH]c(CN2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)[nH+]1 ZINC000628301967 369235853 /nfs/dbraw/zinc/23/58/53/369235853.db2.gz LQJSJYXMHUWYLP-ZDUSSCGKSA-N 2 2 291.399 0.504 20 0 CCADLP Cc1[nH]c(CN2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)[nH+]c1C ZINC000628255736 369225245 /nfs/dbraw/zinc/22/52/45/369225245.db2.gz VYHZIFCTMPRVOB-QWRGUYRKSA-N 2 2 266.389 0.913 20 0 CCADLP Cc1[nH]c(CN2CC[N@H+](C[C@H](C)O)C[C@@H]2C)[nH+]c1C ZINC000628255736 369225249 /nfs/dbraw/zinc/22/52/49/369225249.db2.gz VYHZIFCTMPRVOB-QWRGUYRKSA-N 2 2 266.389 0.913 20 0 CCADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@@H]2CCC[N@@H+]2C)no1 ZINC000330771918 203215558 /nfs/dbraw/zinc/21/55/58/203215558.db2.gz CWGKDFJYPKTNFB-JTQLQIEISA-N 2 2 295.387 0.577 20 0 CCADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@@H]2CCC[N@H+]2C)no1 ZINC000330771918 203215559 /nfs/dbraw/zinc/21/55/59/203215559.db2.gz CWGKDFJYPKTNFB-JTQLQIEISA-N 2 2 295.387 0.577 20 0 CCADLP NC(=O)NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330824704 203281670 /nfs/dbraw/zinc/28/16/70/203281670.db2.gz OJGGMAQCUHZEBF-UHFFFAOYSA-N 2 2 251.290 0.198 20 0 CCADLP CCCn1cc(C[NH2+]CC2([NH3+])CCOCC2)cn1 ZINC000629389135 369651336 /nfs/dbraw/zinc/65/13/36/369651336.db2.gz UQCKMHCCDOAHMD-UHFFFAOYSA-N 2 2 252.362 0.891 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)NCC2CC2)CC[C@H]1C(F)(F)F ZINC000629562049 369710269 /nfs/dbraw/zinc/71/02/69/369710269.db2.gz LHBDTPBOOHCJGS-GHMZBOCLSA-N 2 2 293.333 0.972 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)CC[C@H]1C(F)(F)F ZINC000629562049 369710274 /nfs/dbraw/zinc/71/02/74/369710274.db2.gz LHBDTPBOOHCJGS-GHMZBOCLSA-N 2 2 293.333 0.972 20 0 CCADLP CCNC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563434 369710777 /nfs/dbraw/zinc/71/07/77/369710777.db2.gz PSFUWFORTQEZMM-DTWKUNHWSA-N 2 2 267.295 0.582 20 0 CCADLP CCNC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563434 369710780 /nfs/dbraw/zinc/71/07/80/369710780.db2.gz PSFUWFORTQEZMM-DTWKUNHWSA-N 2 2 267.295 0.582 20 0 CCADLP C[NH2+]CCOCC[N@H+](C)Cc1nccn1C(F)F ZINC000629570200 369714454 /nfs/dbraw/zinc/71/44/54/369714454.db2.gz JJEIQWNDKRYGKJ-UHFFFAOYSA-N 2 2 262.304 0.946 20 0 CCADLP C[NH2+]CCOCC[N@@H+](C)Cc1nccn1C(F)F ZINC000629570200 369714460 /nfs/dbraw/zinc/71/44/60/369714460.db2.gz JJEIQWNDKRYGKJ-UHFFFAOYSA-N 2 2 262.304 0.946 20 0 CCADLP CN(C)c1cccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)n1 ZINC000629570960 369716660 /nfs/dbraw/zinc/71/66/60/369716660.db2.gz FCJIJVPPDDVIJR-AWEZNQCLSA-N 2 2 278.400 0.694 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000629516103 369689581 /nfs/dbraw/zinc/68/95/81/369689581.db2.gz XXELOFGJRYCZGL-PIGZVRMJSA-N 3 2 280.416 0.199 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000629516103 369689584 /nfs/dbraw/zinc/68/95/84/369689584.db2.gz XXELOFGJRYCZGL-PIGZVRMJSA-N 3 2 280.416 0.199 20 0 CCADLP CCO[C@@H](C[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)C1CC1 ZINC000629538413 369696331 /nfs/dbraw/zinc/69/63/31/369696331.db2.gz MTGRYFZOAXHMMJ-ZNMIVQPWSA-N 2 2 278.400 0.962 20 0 CCADLP CCO[C@@H](C[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)C1CC1 ZINC000629538413 369696334 /nfs/dbraw/zinc/69/63/34/369696334.db2.gz MTGRYFZOAXHMMJ-ZNMIVQPWSA-N 2 2 278.400 0.962 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000629548250 369700650 /nfs/dbraw/zinc/70/06/50/369700650.db2.gz MZGQYEAJICILCD-GBIKHYSHSA-N 2 2 283.397 0.735 20 0 CCADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCN1CC[C@@H](O)C1 ZINC000629548890 369701023 /nfs/dbraw/zinc/70/10/23/369701023.db2.gz ZWTHRYZXFYZANK-IMJJTQAJSA-N 2 2 277.412 0.601 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000629550589 369702422 /nfs/dbraw/zinc/70/24/22/369702422.db2.gz NZACCLNFMQCEKA-NEPJUHHUSA-N 2 2 291.351 0.866 20 0 CCADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629556941 369707116 /nfs/dbraw/zinc/70/71/16/369707116.db2.gz SDGWTPOZXOHRQM-HIFRSBDPSA-N 3 2 280.416 0.874 20 0 CCADLP CCCNC(=O)[C@@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592206 369732458 /nfs/dbraw/zinc/73/24/58/369732458.db2.gz DCMUHIJQCQXDBJ-BNOWGMLFSA-N 2 2 253.390 0.833 20 0 CCADLP CCCNC(=O)[C@@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592206 369732462 /nfs/dbraw/zinc/73/24/62/369732462.db2.gz DCMUHIJQCQXDBJ-BNOWGMLFSA-N 2 2 253.390 0.833 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000629959926 369855670 /nfs/dbraw/zinc/85/56/70/369855670.db2.gz OFYRGLYRIPTLLH-UHFFFAOYSA-N 2 2 283.416 0.651 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000629959926 369855672 /nfs/dbraw/zinc/85/56/72/369855672.db2.gz OFYRGLYRIPTLLH-UHFFFAOYSA-N 2 2 283.416 0.651 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1Nc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000630545752 370161484 /nfs/dbraw/zinc/16/14/84/370161484.db2.gz PEWXWLNFKKOQTJ-YNEHKIRRSA-N 2 2 291.399 0.990 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCn1cc(-c2cc[nH]n2)nn1 ZINC000630611618 370209778 /nfs/dbraw/zinc/20/97/78/370209778.db2.gz HWMSPOUUCSZZKX-UHFFFAOYSA-N 2 2 277.376 0.552 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCn1cc(-c2cc[nH]n2)nn1 ZINC000630611618 370209780 /nfs/dbraw/zinc/20/97/80/370209780.db2.gz HWMSPOUUCSZZKX-UHFFFAOYSA-N 2 2 277.376 0.552 20 0 CCADLP CC(=O)C(C)(C)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000630606795 370204878 /nfs/dbraw/zinc/20/48/78/370204878.db2.gz QCCITUWIVBICJK-UHFFFAOYSA-N 2 2 279.388 0.568 20 0 CCADLP Cc1nc(NCC[N@H+]2CCCC[C@H]2C)nc(N)[nH+]1 ZINC000631061653 370373280 /nfs/dbraw/zinc/37/32/80/370373280.db2.gz YYZZKPIFUOSPCE-SECBINFHSA-N 2 2 250.350 0.301 20 0 CCADLP Cc1nc(NCC[N@@H+]2CCCC[C@H]2C)nc(N)[nH+]1 ZINC000631061653 370373285 /nfs/dbraw/zinc/37/32/85/370373285.db2.gz YYZZKPIFUOSPCE-SECBINFHSA-N 2 2 250.350 0.301 20 0 CCADLP Cc1cc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)on1 ZINC000631074295 370376493 /nfs/dbraw/zinc/37/64/93/370376493.db2.gz XRZQYDUXPIWWLE-AWEZNQCLSA-N 2 2 294.399 0.479 20 0 CCADLP COCCc1ncc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)s1 ZINC000631111915 370387133 /nfs/dbraw/zinc/38/71/33/370387133.db2.gz LOBYAMFSCKQLKS-CYBMUJFWSA-N 2 2 285.413 0.488 20 0 CCADLP COCCc1ncc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)s1 ZINC000631111915 370387136 /nfs/dbraw/zinc/38/71/36/370387136.db2.gz LOBYAMFSCKQLKS-CYBMUJFWSA-N 2 2 285.413 0.488 20 0 CCADLP CC(=O)Nc1cccc(C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)c1 ZINC000631184028 370413750 /nfs/dbraw/zinc/41/37/50/370413750.db2.gz XVOCPGXOAFSKHT-OAHLLOKOSA-N 2 2 277.368 0.801 20 0 CCADLP CC(=O)Nc1cccc(C[NH2+]CC[N@H+]2CC[C@@H](O)C2)c1 ZINC000631184028 370413751 /nfs/dbraw/zinc/41/37/51/370413751.db2.gz XVOCPGXOAFSKHT-OAHLLOKOSA-N 2 2 277.368 0.801 20 0 CCADLP CCC[C@@H]1CN(c2nc(C)[nH+]c(N)n2)CC[N@@H+]1CCOC ZINC000631187557 370416149 /nfs/dbraw/zinc/41/61/49/370416149.db2.gz KRZVGVJEONQJRX-GFCCVEGCSA-N 2 2 294.403 0.530 20 0 CCADLP CCC[C@@H]1CN(c2nc(C)[nH+]c(N)n2)CC[N@H+]1CCOC ZINC000631187557 370416154 /nfs/dbraw/zinc/41/61/54/370416154.db2.gz KRZVGVJEONQJRX-GFCCVEGCSA-N 2 2 294.403 0.530 20 0 CCADLP Cc1nc(N2CC([N@H+](C)Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000631275756 370449942 /nfs/dbraw/zinc/44/99/42/370449942.db2.gz HHDVCKPJLCWVDA-UHFFFAOYSA-N 2 2 284.367 0.913 20 0 CCADLP Cc1nc(N2CC([N@@H+](C)Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000631275756 370449948 /nfs/dbraw/zinc/44/99/48/370449948.db2.gz HHDVCKPJLCWVDA-UHFFFAOYSA-N 2 2 284.367 0.913 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCC2(O)CCC2)CC1 ZINC000631624812 370615148 /nfs/dbraw/zinc/61/51/48/370615148.db2.gz IMZPYZSNKPXEEU-UHFFFAOYSA-N 2 2 297.443 0.824 20 0 CCADLP C[C@H]1C[C@H](NS(=O)(=O)CCC[NH+](C)C)c2[nH+]ccn21 ZINC000632417859 371050053 /nfs/dbraw/zinc/05/00/53/371050053.db2.gz PDIHWAWHAFTQEU-QWRGUYRKSA-N 2 2 286.401 0.760 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)NCC[N@H+](C)C1CC1 ZINC000633084068 371389149 /nfs/dbraw/zinc/38/91/49/371389149.db2.gz ZCYRCZDPXPVQQE-UHFFFAOYSA-N 2 2 251.334 0.645 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)NCC[N@@H+](C)C1CC1 ZINC000633084068 371389156 /nfs/dbraw/zinc/38/91/56/371389156.db2.gz ZCYRCZDPXPVQQE-UHFFFAOYSA-N 2 2 251.334 0.645 20 0 CCADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633103140 371399029 /nfs/dbraw/zinc/39/90/29/371399029.db2.gz NPNQNWGPACWWPD-LLVKDONJSA-N 2 2 295.387 0.200 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@]12CCC[C@H]1OCC2 ZINC000633616892 371632412 /nfs/dbraw/zinc/63/24/12/371632412.db2.gz HQOLNCAAXNPMNN-ZBFHGGJFSA-N 2 2 297.443 0.945 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@]12CCC[C@H]1OCC2 ZINC000633616892 371632422 /nfs/dbraw/zinc/63/24/22/371632422.db2.gz HQOLNCAAXNPMNN-ZBFHGGJFSA-N 2 2 297.443 0.945 20 0 CCADLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000634722198 372169349 /nfs/dbraw/zinc/16/93/49/372169349.db2.gz LGAATHAQEUUTPZ-IHRRRGAJSA-N 2 2 256.390 0.582 20 0 CCADLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000634722198 372169355 /nfs/dbraw/zinc/16/93/55/372169355.db2.gz LGAATHAQEUUTPZ-IHRRRGAJSA-N 2 2 256.390 0.582 20 0 CCADLP OC[C@H]1CCCN(c2cc(N3CC[NH2+]CC3)nc[nH+]2)C1 ZINC000634807311 372246998 /nfs/dbraw/zinc/24/69/98/372246998.db2.gz GPLDUJUYSVAOBJ-LBPRGKRZSA-N 2 2 277.372 0.095 20 0 CCADLP C[C@@H](O)[C@@H]1CCN(c2cc(N3CCC[C@@H]([NH3+])C3)nc[nH+]2)C1 ZINC000634807921 372247401 /nfs/dbraw/zinc/24/74/01/372247401.db2.gz FPAXXKYARMSAPC-JHJVBQTASA-N 2 2 291.399 0.611 20 0 CCADLP c1nc(N2CC[C@H]3CC[NH2+][C@H]3C2)cc(N2CCOCC2)[nH+]1 ZINC000634807897 372247952 /nfs/dbraw/zinc/24/79/52/372247952.db2.gz DRPVZMBANSOCKM-OLZOCXBDSA-N 2 2 289.383 0.501 20 0 CCADLP Cn1ncc2c1nc(N)[nH+]c2N1CCC2(CC[NH2+]C2)CC1 ZINC000634809809 372253886 /nfs/dbraw/zinc/25/38/86/372253886.db2.gz BKWCELFMWSMRRP-UHFFFAOYSA-N 2 2 287.371 0.356 20 0 CCADLP C[C@H](O)CNc1cc(N2CCC[C@H]3C[NH2+]C[C@H]32)nc[nH+]1 ZINC000634810540 372255267 /nfs/dbraw/zinc/25/52/67/372255267.db2.gz ABTDJKXZNDDHPR-SDDRHHMPSA-N 2 2 277.372 0.458 20 0 CCADLP C[C@@H](O)CNc1cc(N(C)[C@H](C[NH3+])C2CC2)nc[nH+]1 ZINC000634811917 372256796 /nfs/dbraw/zinc/25/67/96/372256796.db2.gz UKTHFOIVXOOAGP-MWLCHTKSSA-N 2 2 265.361 0.443 20 0 CCADLP Cn1ncc2c1nc(N)[nH+]c2N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000634812886 372256825 /nfs/dbraw/zinc/25/68/25/372256825.db2.gz SYNBQSYOLSWYCC-ONGXEEELSA-N 2 2 287.371 0.354 20 0 CCADLP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccon2)CC1 ZINC000634952034 372308688 /nfs/dbraw/zinc/30/86/88/372308688.db2.gz NOABZVZICXVRTI-UHFFFAOYSA-N 2 2 252.362 0.790 20 0 CCADLP CC[NH+](CC)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635059735 372359960 /nfs/dbraw/zinc/35/99/60/372359960.db2.gz ZZPQTXIVEHDHND-GHMZBOCLSA-N 2 2 250.346 0.971 20 0 CCADLP CC[NH+](CC)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635059735 372359964 /nfs/dbraw/zinc/35/99/64/372359964.db2.gz ZZPQTXIVEHDHND-GHMZBOCLSA-N 2 2 250.346 0.971 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634968289 372319104 /nfs/dbraw/zinc/31/91/04/372319104.db2.gz KWOKKNSEUNRFEG-NTZNESFSSA-N 2 2 251.374 0.727 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634968289 372319109 /nfs/dbraw/zinc/31/91/09/372319109.db2.gz KWOKKNSEUNRFEG-NTZNESFSSA-N 2 2 251.374 0.727 20 0 CCADLP C[C@H]([C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000635506879 372569716 /nfs/dbraw/zinc/56/97/16/372569716.db2.gz WRHUEDUTHBYMSZ-MJBXVCDLSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H]([C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000635506879 372569723 /nfs/dbraw/zinc/56/97/23/372569723.db2.gz WRHUEDUTHBYMSZ-MJBXVCDLSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635516905 372579156 /nfs/dbraw/zinc/57/91/56/372579156.db2.gz IXQIDGAEXMGXKL-ZFWWWQNUSA-N 2 2 295.427 0.528 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635516905 372579162 /nfs/dbraw/zinc/57/91/62/372579162.db2.gz IXQIDGAEXMGXKL-ZFWWWQNUSA-N 2 2 295.427 0.528 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[NH+](C[C@@H](C)O)CC2)[nH+]1 ZINC000635517249 372579574 /nfs/dbraw/zinc/57/95/74/372579574.db2.gz KLOLVMCAVVSMFK-LLVKDONJSA-N 2 2 280.372 0.040 20 0 CCADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+](C)C ZINC000635551960 372618404 /nfs/dbraw/zinc/61/84/04/372618404.db2.gz QMVCRRIDPABYBV-OLZOCXBDSA-N 3 2 282.432 0.221 20 0 CCADLP C[C@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+](C)C ZINC000635551960 372618409 /nfs/dbraw/zinc/61/84/09/372618409.db2.gz QMVCRRIDPABYBV-OLZOCXBDSA-N 3 2 282.432 0.221 20 0 CCADLP C[NH+](C)CCCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635562417 372636375 /nfs/dbraw/zinc/63/63/75/372636375.db2.gz YYOKABLSOJOPSC-GHMZBOCLSA-N 2 2 250.346 0.971 20 0 CCADLP C[NH+](C)CCCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635562417 372636380 /nfs/dbraw/zinc/63/63/80/372636380.db2.gz YYOKABLSOJOPSC-GHMZBOCLSA-N 2 2 250.346 0.971 20 0 CCADLP Cc1ccc2[nH+]c(Cn3cc([C@H]([NH3+])CO)nn3)cn2c1 ZINC000656448001 412799248 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0.971 20 0 CCADLP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635634813 372707526 /nfs/dbraw/zinc/70/75/26/372707526.db2.gz HLANRCHXVSEGKV-IJLUTSLNSA-N 2 2 262.357 0.971 20 0 CCADLP C[C@H]1CC[N@H+](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635634815 372708872 /nfs/dbraw/zinc/70/88/72/372708872.db2.gz HLANRCHXVSEGKV-QJPTWQEYSA-N 2 2 262.357 0.971 20 0 CCADLP C[C@H]1CC[N@@H+](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635634815 372708874 /nfs/dbraw/zinc/70/88/74/372708874.db2.gz HLANRCHXVSEGKV-QJPTWQEYSA-N 2 2 262.357 0.971 20 0 CCADLP C[C@H]1CC[N@H+](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635634815 372708877 /nfs/dbraw/zinc/70/88/77/372708877.db2.gz HLANRCHXVSEGKV-QJPTWQEYSA-N 2 2 262.357 0.971 20 0 CCADLP C[C@H]1CC[N@@H+](CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635634815 372708883 /nfs/dbraw/zinc/70/88/83/372708883.db2.gz HLANRCHXVSEGKV-QJPTWQEYSA-N 2 2 262.357 0.971 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H](CO)COC(C)C ZINC000517387337 284348960 /nfs/dbraw/zinc/34/89/60/284348960.db2.gz DGEULUFCLGBYKV-OLZOCXBDSA-N 2 2 262.394 0.017 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](CO)COC(C)C ZINC000517387337 284348961 /nfs/dbraw/zinc/34/89/61/284348961.db2.gz DGEULUFCLGBYKV-OLZOCXBDSA-N 2 2 262.394 0.017 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H](CO)COC(C)C ZINC000517387337 284348962 /nfs/dbraw/zinc/34/89/62/284348962.db2.gz DGEULUFCLGBYKV-OLZOCXBDSA-N 2 2 262.394 0.017 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](CO)COC(C)C ZINC000517387337 284348963 /nfs/dbraw/zinc/34/89/63/284348963.db2.gz DGEULUFCLGBYKV-OLZOCXBDSA-N 2 2 262.394 0.017 20 0 CCADLP C[C@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CC2)[C@@H](C)C[NH2+]1 ZINC000333468183 205348124 /nfs/dbraw/zinc/34/81/24/205348124.db2.gz AECITWQJAFCVOF-STQMWFEESA-N 2 2 296.415 0.243 20 0 CCADLP Cc1nc(N)c(CNC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)c[nH+]1 ZINC000635922031 373108598 /nfs/dbraw/zinc/10/85/98/373108598.db2.gz QFUJAKGDKABMHJ-ZDUSSCGKSA-N 2 2 289.383 0.831 20 0 CCADLP Cc1nc(N)c(CNC(=O)[C@@H]2CC[N@H+]2C2CCCC2)c[nH+]1 ZINC000635922031 373108603 /nfs/dbraw/zinc/10/86/03/373108603.db2.gz QFUJAKGDKABMHJ-ZDUSSCGKSA-N 2 2 289.383 0.831 20 0 CCADLP CCc1[nH+]ccn1Cc1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000656459859 412806311 /nfs/dbraw/zinc/80/63/11/412806311.db2.gz YUSCPIOBOIBMHF-UHFFFAOYSA-N 2 2 284.323 0.962 20 0 CCADLP CCc1c[nH]c(CC(=O)NCC[NH+]2CCC(O)CC2)[nH+]1 ZINC000636002133 373232578 /nfs/dbraw/zinc/23/25/78/373232578.db2.gz ZDDWSNAUTZNLPB-UHFFFAOYSA-N 2 2 280.372 0.088 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000333628299 205523247 /nfs/dbraw/zinc/52/32/47/205523247.db2.gz SKDMCHMOAXBQLZ-DZGCQCFKSA-N 2 2 296.415 0.102 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000333628299 205523252 /nfs/dbraw/zinc/52/32/52/205523252.db2.gz SKDMCHMOAXBQLZ-DZGCQCFKSA-N 2 2 296.415 0.102 20 0 CCADLP [NH3+]C[C@@H]1CCCCN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000333748828 205666591 /nfs/dbraw/zinc/66/65/91/205666591.db2.gz JRVIXQRNTFSREL-ZDUSSCGKSA-N 2 2 296.415 0.374 20 0 CCADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)NC1CC[NH+](C2CC2)CC1 ZINC000636516936 373625550 /nfs/dbraw/zinc/62/55/50/373625550.db2.gz RPISPBWAWKKADE-GFCCVEGCSA-N 2 2 289.383 0.734 20 0 CCADLP CC[NH+](CC)CCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636445175 373599387 /nfs/dbraw/zinc/59/93/87/373599387.db2.gz CKGVZEKYTDGTMA-NSHDSACASA-N 2 2 265.361 0.449 20 0 CCADLP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636580955 373655798 /nfs/dbraw/zinc/65/57/98/373655798.db2.gz QXBFGSIZJLAELN-RYUDHWBXSA-N 2 2 289.383 0.591 20 0 CCADLP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636580955 373655805 /nfs/dbraw/zinc/65/58/05/373655805.db2.gz QXBFGSIZJLAELN-RYUDHWBXSA-N 2 2 289.383 0.591 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636607186 373669505 /nfs/dbraw/zinc/66/95/05/373669505.db2.gz STRCFEATCAJNJF-GFCCVEGCSA-N 2 2 288.355 0.702 20 0 CCADLP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000636630852 373683753 /nfs/dbraw/zinc/68/37/53/373683753.db2.gz FHFWWYAEIRSDPT-OLZOCXBDSA-N 2 2 291.399 0.839 20 0 CCADLP CCC[N@H+]1CC[C@H](CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000636630852 373683762 /nfs/dbraw/zinc/68/37/62/373683762.db2.gz FHFWWYAEIRSDPT-OLZOCXBDSA-N 2 2 291.399 0.839 20 0 CCADLP CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636652421 373694372 /nfs/dbraw/zinc/69/43/72/373694372.db2.gz LCGINRIHEKENHV-NWDGAFQWSA-N 2 2 279.388 0.837 20 0 CCADLP CCC[NH+]1CCC(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1 ZINC000636851101 373789097 /nfs/dbraw/zinc/78/90/97/373789097.db2.gz ZHRJNVWCPJPMFP-CYBMUJFWSA-N 2 2 291.399 0.981 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)NC[C@@H]1CCCC[NH2+]1)CC2 ZINC000637000925 373866897 /nfs/dbraw/zinc/86/68/97/373866897.db2.gz COPAYFPPUDHGEJ-LBPRGKRZSA-N 2 2 277.372 0.859 20 0 CCADLP Cc1cccc2ncc(CN3CC[N@@H+](C)C[C@H]3C[NH3+])n21 ZINC000574453647 335020921 /nfs/dbraw/zinc/02/09/21/335020921.db2.gz WDZHNRQYZIXMHN-CYBMUJFWSA-N 2 2 273.384 0.717 20 0 CCADLP Cc1cccc2ncc(CN3CC[N@H+](C)C[C@H]3C[NH3+])n21 ZINC000574453647 335020922 /nfs/dbraw/zinc/02/09/22/335020922.db2.gz WDZHNRQYZIXMHN-CYBMUJFWSA-N 2 2 273.384 0.717 20 0 CCADLP C[C@@H](CNC(=O)N[C@H]1C[NH2+]CC[C@H]1C)[NH+]1CCOCC1 ZINC000333938979 205850917 /nfs/dbraw/zinc/85/09/17/205850917.db2.gz MXGGRKNDKRYWIH-AGIUHOORSA-N 2 2 284.404 0.004 20 0 CCADLP CCCN(C(=O)NC[C@@H]1COCC[NH+]1C)[C@H]1CC[N@H+](C)C1 ZINC000637441155 374156954 /nfs/dbraw/zinc/15/69/54/374156954.db2.gz ZFDIIAJTFUIKCO-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP CCCN(C(=O)NC[C@@H]1COCC[NH+]1C)[C@H]1CC[N@@H+](C)C1 ZINC000637441155 374156963 /nfs/dbraw/zinc/15/69/63/374156963.db2.gz ZFDIIAJTFUIKCO-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP CCCN(C(=O)NC[C@@H]1COCC[N@@H+]1C)[C@H]1CC[NH+](C)C1 ZINC000637441155 374156969 /nfs/dbraw/zinc/15/69/69/374156969.db2.gz ZFDIIAJTFUIKCO-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP CCCN(C(=O)NC[C@@H]1COCC[N@H+]1C)[C@H]1CC[NH+](C)C1 ZINC000637441155 374156975 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CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@@H]1COCC[NH+]1C ZINC000637441903 374159218 /nfs/dbraw/zinc/15/92/18/374159218.db2.gz BSXHYCSYGUVABA-ZIAGYGMSSA-N 2 2 298.431 0.300 20 0 CCADLP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637441903 374159225 /nfs/dbraw/zinc/15/92/25/374159225.db2.gz BSXHYCSYGUVABA-ZIAGYGMSSA-N 2 2 298.431 0.300 20 0 CCADLP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637441903 374159233 /nfs/dbraw/zinc/15/92/33/374159233.db2.gz BSXHYCSYGUVABA-ZIAGYGMSSA-N 2 2 298.431 0.300 20 0 CCADLP CC(C)C[C@@H](C(=O)NCCN1CC[NH2+]CC1)n1cc[nH+]c1 ZINC000637812091 374344627 /nfs/dbraw/zinc/34/46/27/374344627.db2.gz WFTRKRXRHKVPCY-AWEZNQCLSA-N 2 2 293.415 0.492 20 0 CCADLP [NH3+][C@@H]1CCO[C@@H]1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000637799685 374326049 /nfs/dbraw/zinc/32/60/49/374326049.db2.gz OVFZULIDVNNLRU-OCCSQVGLSA-N 2 2 290.367 0.414 20 0 CCADLP CC(C)C[C@@H](C(=O)N[C@H]1CC[NH2+]C1)n1cc[nH+]c1 ZINC000637810218 374342712 /nfs/dbraw/zinc/34/27/12/374342712.db2.gz BSPJONGSYNWFPF-RYUDHWBXSA-N 2 2 250.346 0.948 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NCC[C@H](C)[NH3+])CC2 ZINC000637823521 374361269 /nfs/dbraw/zinc/36/12/69/374361269.db2.gz IABSWJYQQGCQAV-GXSJLCMTSA-N 2 2 250.346 0.607 20 0 CCADLP C[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1CC1 ZINC000656542610 412821698 /nfs/dbraw/zinc/82/16/98/412821698.db2.gz JUXRKLMBIKJRHJ-GFCCVEGCSA-N 2 2 270.421 0.968 20 0 CCADLP C[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1CC1 ZINC000656542610 412821699 /nfs/dbraw/zinc/82/16/99/412821699.db2.gz JUXRKLMBIKJRHJ-GFCCVEGCSA-N 2 2 270.421 0.968 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000637851385 374407631 /nfs/dbraw/zinc/40/76/31/374407631.db2.gz HGUSZPDMFHCOBQ-MNOVXSKESA-N 2 2 250.346 0.894 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000637851385 374407641 /nfs/dbraw/zinc/40/76/41/374407641.db2.gz HGUSZPDMFHCOBQ-MNOVXSKESA-N 2 2 250.346 0.894 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)[C@@H](C[NH3+])C1 ZINC000637864151 374424924 /nfs/dbraw/zinc/42/49/24/374424924.db2.gz NLUVJFSMZPXOTF-MELADBBJSA-N 2 2 281.400 0.150 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)[C@@H](C[NH3+])C1 ZINC000637864151 374424932 /nfs/dbraw/zinc/42/49/32/374424932.db2.gz NLUVJFSMZPXOTF-MELADBBJSA-N 2 2 281.400 0.150 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)[C@@H](C[NH3+])C1 ZINC000637864358 374425121 /nfs/dbraw/zinc/42/51/21/374425121.db2.gz QMSXNGZSIHPNQI-DRPJVOAASA-N 2 2 285.391 0.674 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)[C@@H](C[NH3+])C1 ZINC000637864358 374425127 /nfs/dbraw/zinc/42/51/27/374425127.db2.gz QMSXNGZSIHPNQI-DRPJVOAASA-N 2 2 285.391 0.674 20 0 CCADLP C[N@@H+]1CCN(C(=O)c2cc3c([nH]2)CCCC3)[C@@H](C[NH3+])C1 ZINC000637864153 374425931 /nfs/dbraw/zinc/42/59/31/374425931.db2.gz NOPSRXGBYWBIRP-LBPRGKRZSA-N 2 2 276.384 0.608 20 0 CCADLP C[N@H+]1CCN(C(=O)c2cc3c([nH]2)CCCC3)[C@@H](C[NH3+])C1 ZINC000637864153 374425936 /nfs/dbraw/zinc/42/59/36/374425936.db2.gz NOPSRXGBYWBIRP-LBPRGKRZSA-N 2 2 276.384 0.608 20 0 CCADLP CNc1cccc(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000637867714 374432327 /nfs/dbraw/zinc/43/23/27/374432327.db2.gz WZNRHLYFBUDFNX-CYBMUJFWSA-N 2 2 262.357 0.443 20 0 CCADLP CNc1cccc(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000637867714 374432334 /nfs/dbraw/zinc/43/23/34/374432334.db2.gz WZNRHLYFBUDFNX-CYBMUJFWSA-N 2 2 262.357 0.443 20 0 CCADLP C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000334183973 206159533 /nfs/dbraw/zinc/15/95/33/206159533.db2.gz FRTQFBJAJPRGHG-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP COc1cccc([C@@H]([NH3+])C(=O)NCC[NH+]2CCOCC2)c1 ZINC000638049013 374591673 /nfs/dbraw/zinc/59/16/73/374591673.db2.gz RNKHRHNJCOYPST-CQSZACIVSA-N 2 2 293.367 0.143 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000638077343 374632127 /nfs/dbraw/zinc/63/21/27/374632127.db2.gz RNUQAJCCSOZLNQ-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H](CNC(=O)[C@@]1(C)C[NH2+]CCO1)Cn1cc[nH+]c1 ZINC000638077208 374632431 /nfs/dbraw/zinc/63/24/31/374632431.db2.gz QRMRANDJKKOJFK-DGCLKSJQSA-N 2 2 266.345 0.014 20 0 CCADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H](C)Cn2cc[nH+]c2)C1 ZINC000638077449 374632789 /nfs/dbraw/zinc/63/27/89/374632789.db2.gz SRTGQMMQJKEFMI-OBJOEFQTSA-N 2 2 280.372 0.402 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638070564 374619706 /nfs/dbraw/zinc/61/97/06/374619706.db2.gz ZNHNWUKSJIZBKR-AWEZNQCLSA-N 2 2 278.356 0.142 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000638099050 374661397 /nfs/dbraw/zinc/66/13/97/374661397.db2.gz FABPEXCSLSECAH-IJLUTSLNSA-N 2 2 257.378 0.210 20 0 CCADLP CC(C)CC[C@H]([NH3+])C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000638102514 374668440 /nfs/dbraw/zinc/66/84/40/374668440.db2.gz UXVCWCYVDOQMGJ-RDBSUJKOSA-N 2 2 285.432 0.975 20 0 CCADLP COc1cccc(C[C@H]([NH3+])C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000638111797 374677833 /nfs/dbraw/zinc/67/78/33/374677833.db2.gz GGCKIVYCOPOEHY-ZDUSSCGKSA-N 2 2 288.351 0.647 20 0 CCADLP COc1cccc([C@H]([NH3+])C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000638110934 374678959 /nfs/dbraw/zinc/67/89/59/374678959.db2.gz ABDRMMJDVCSFGF-ZDUSSCGKSA-N 2 2 274.324 0.777 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3=CC[C@@H]([NH3+])C3)C2)CC1 ZINC000638115122 374682029 /nfs/dbraw/zinc/68/20/29/374682029.db2.gz AFDIGRISVWLALJ-KGLIPLIRSA-N 3 2 292.427 0.319 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3=CC[C@@H]([NH3+])C3)C2)CC1 ZINC000638115122 374682033 /nfs/dbraw/zinc/68/20/33/374682033.db2.gz AFDIGRISVWLALJ-KGLIPLIRSA-N 3 2 292.427 0.319 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1CC[NH3+] ZINC000638232174 374823413 /nfs/dbraw/zinc/82/34/13/374823413.db2.gz DSIZKHXEPZONLM-NSHDSACASA-N 2 2 250.346 0.991 20 0 CCADLP COCCc1ncc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)s1 ZINC000638186668 374770301 /nfs/dbraw/zinc/77/03/01/374770301.db2.gz XGJJFJLLUOBWAD-QWRGUYRKSA-N 2 2 267.398 0.983 20 0 CCADLP c1[nH+]c(CN2C[C@H]3C[NH2+]C[C@@H]3C2)cc2c1OCCO2 ZINC000638186267 374771182 /nfs/dbraw/zinc/77/11/82/374771182.db2.gz PGCKPCLIZCETQZ-GHMZBOCLSA-N 2 2 261.325 0.504 20 0 CCADLP c1nc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc2c1OCCO2 ZINC000638186267 374771185 /nfs/dbraw/zinc/77/11/85/374771185.db2.gz PGCKPCLIZCETQZ-GHMZBOCLSA-N 2 2 261.325 0.504 20 0 CCADLP O=C([C@@H]1CC[NH2+]CC1(F)F)N1CC[NH+](C2CCC2)CC1 ZINC000335110712 284493836 /nfs/dbraw/zinc/49/38/36/284493836.db2.gz IHWDTUCXKCQYHH-LBPRGKRZSA-N 2 2 287.354 0.928 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@H]2CC[NH2+]C2(C)C)[nH+]1 ZINC000638271576 374873445 /nfs/dbraw/zinc/87/34/45/374873445.db2.gz XRQUOUXAJJQLFF-JTQLQIEISA-N 2 2 250.346 0.771 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000638278854 374883150 /nfs/dbraw/zinc/88/31/50/374883150.db2.gz LJQKZOUJPBXGOF-KBPBESRZSA-N 2 2 283.416 0.602 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000638278854 374883158 /nfs/dbraw/zinc/88/31/58/374883158.db2.gz LJQKZOUJPBXGOF-KBPBESRZSA-N 2 2 283.416 0.602 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000638263052 374859511 /nfs/dbraw/zinc/85/95/11/374859511.db2.gz OOFOBLCEDGWGJY-NSHDSACASA-N 2 2 250.346 0.765 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000638263052 374859517 /nfs/dbraw/zinc/85/95/17/374859517.db2.gz OOFOBLCEDGWGJY-NSHDSACASA-N 2 2 250.346 0.765 20 0 CCADLP CO[C@H](C[NH2+][C@@H](C)Cn1cc[nH+]c1)[C@@H]1CCOC1 ZINC000638358573 374955828 /nfs/dbraw/zinc/95/58/28/374955828.db2.gz FUTLSKSGOCCDPQ-YNEHKIRRSA-N 2 2 253.346 0.913 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnc(N)nc1N)C[NH+]1CCCC1 ZINC000638387137 374980592 /nfs/dbraw/zinc/98/05/92/374980592.db2.gz SXYTVELXBWGFPO-JTQLQIEISA-N 2 2 264.377 0.123 20 0 CCADLP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NCc1c[nH+]c(N)nc1N ZINC000638417493 375015618 /nfs/dbraw/zinc/01/56/18/375015618.db2.gz HWZRYICSISYKKF-IJLUTSLNSA-N 2 2 292.431 0.758 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000638433429 375033122 /nfs/dbraw/zinc/03/31/22/375033122.db2.gz UAZVCTCSUNEDLH-JTQLQIEISA-N 2 2 274.324 0.916 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C12CCC2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000638510685 375100925 /nfs/dbraw/zinc/10/09/25/375100925.db2.gz FADDPPWINUSHHD-FOGDFJRCSA-N 2 2 260.341 0.914 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C12CCC2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000638510685 375100935 /nfs/dbraw/zinc/10/09/35/375100935.db2.gz FADDPPWINUSHHD-FOGDFJRCSA-N 2 2 260.341 0.914 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]CC(C)(C)N1CCOCC1 ZINC000638510396 375101799 /nfs/dbraw/zinc/10/17/99/375101799.db2.gz QGJCGZXXZSHNTP-OAHLLOKOSA-N 2 2 299.459 0.798 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]CC(C)(C)N1CCOCC1 ZINC000638510396 375101805 /nfs/dbraw/zinc/10/18/05/375101805.db2.gz QGJCGZXXZSHNTP-OAHLLOKOSA-N 2 2 299.459 0.798 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](CO)c1ccsc1 ZINC000574581767 335031847 /nfs/dbraw/zinc/03/18/47/335031847.db2.gz QMPRIGDYNZWJEC-OLZOCXBDSA-N 2 2 288.413 0.310 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](CO)c1ccsc1 ZINC000574581767 335031848 /nfs/dbraw/zinc/03/18/48/335031848.db2.gz QMPRIGDYNZWJEC-OLZOCXBDSA-N 2 2 288.413 0.310 20 0 CCADLP Cc1cc(NCCNC(=O)[C@H](C)[NH3+])nc(C(C)C)[nH+]1 ZINC000638584832 375165973 /nfs/dbraw/zinc/16/59/73/375165973.db2.gz ZCPXSRPSDBRPNW-JTQLQIEISA-N 2 2 265.361 0.206 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C[NH2+]1 ZINC000638643296 375247901 /nfs/dbraw/zinc/24/79/01/375247901.db2.gz JJQFTJVTTMQUEE-IJLUTSLNSA-N 2 2 262.357 0.702 20 0 CCADLP C[C@H](C(=O)NC[C@H]1COCC[N@@H+]1C)[C@@H]([NH3+])c1ccccc1 ZINC000638611649 375191598 /nfs/dbraw/zinc/19/15/98/375191598.db2.gz OZRQXFONWNZQHV-AEGPPILISA-N 2 2 291.395 0.769 20 0 CCADLP C[C@H](C(=O)NC[C@H]1COCC[N@H+]1C)[C@@H]([NH3+])c1ccccc1 ZINC000638611649 375191602 /nfs/dbraw/zinc/19/16/02/375191602.db2.gz OZRQXFONWNZQHV-AEGPPILISA-N 2 2 291.395 0.769 20 0 CCADLP C[C@@H](CC(=O)NC[C@H]1COCC[N@@H+]1C)C1CC[NH2+]CC1 ZINC000638612282 375193641 /nfs/dbraw/zinc/19/36/41/375193641.db2.gz UARVDJDIJHRTBB-JSGCOSHPSA-N 2 2 283.416 0.459 20 0 CCADLP C[C@@H](CC(=O)NC[C@H]1COCC[N@H+]1C)C1CC[NH2+]CC1 ZINC000638612282 375193645 /nfs/dbraw/zinc/19/36/45/375193645.db2.gz UARVDJDIJHRTBB-JSGCOSHPSA-N 2 2 283.416 0.459 20 0 CCADLP C[C@H](CC(=O)NC[C@@H]1COCC[N@@H+]1C)[C@@H]1CCC[NH2+]C1 ZINC000638612077 375193656 /nfs/dbraw/zinc/19/36/56/375193656.db2.gz SFYZRKAYSXHSGR-MGPQQGTHSA-N 2 2 283.416 0.459 20 0 CCADLP C[C@H](CC(=O)NC[C@@H]1COCC[N@H+]1C)[C@@H]1CCC[NH2+]C1 ZINC000638612077 375193663 /nfs/dbraw/zinc/19/36/63/375193663.db2.gz SFYZRKAYSXHSGR-MGPQQGTHSA-N 2 2 283.416 0.459 20 0 CCADLP Cc1[nH+]c2ccccc2n1CC(=O)N(C)CCOCC[NH3+] ZINC000638673991 375277249 /nfs/dbraw/zinc/27/72/49/375277249.db2.gz CCYFHMLHTGZGSU-UHFFFAOYSA-N 2 2 290.367 0.778 20 0 CCADLP CCOC(C)(C)C[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000568742930 291617732 /nfs/dbraw/zinc/61/77/32/291617732.db2.gz YAPYJRONFDQYIN-MCIONIFRSA-N 2 2 288.432 0.861 20 0 CCADLP CC[NH+](CC)CCC[NH2+]Cc1cnc(N)nc1N ZINC000638861928 375412822 /nfs/dbraw/zinc/41/28/22/375412822.db2.gz CHIBZCWYVTXMTH-UHFFFAOYSA-N 2 2 252.366 0.123 20 0 CCADLP CC(C)[C@H]1C[N@H+](C)CCN1Cc1c[nH+]c(N)nc1N ZINC000638951360 375482472 /nfs/dbraw/zinc/48/24/72/375482472.db2.gz WLXUMRCCKZCCDT-LLVKDONJSA-N 2 2 264.377 0.074 20 0 CCADLP CC(C)[C@H]1C[N@@H+](C)CCN1Cc1c[nH+]c(N)nc1N ZINC000638951360 375482474 /nfs/dbraw/zinc/48/24/74/375482474.db2.gz WLXUMRCCKZCCDT-LLVKDONJSA-N 2 2 264.377 0.074 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H](C1CCC1)[C@H]1CCCO1 ZINC000638997188 375507293 /nfs/dbraw/zinc/50/72/93/375507293.db2.gz ANTALGDRDFXQJY-MJBXVCDLSA-N 2 2 283.416 0.729 20 0 CCADLP CCn1ncnc1C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000639123996 375589335 /nfs/dbraw/zinc/58/93/35/375589335.db2.gz WFEWISSLBCFTSN-ZDUSSCGKSA-N 2 2 281.404 0.889 20 0 CCADLP CCn1ncnc1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000639123996 375589345 /nfs/dbraw/zinc/58/93/45/375589345.db2.gz WFEWISSLBCFTSN-ZDUSSCGKSA-N 2 2 281.404 0.889 20 0 CCADLP CO[C@@H](C[N@@H+]1CC[NH+]2CCC1CC2)[C@H]1CCOC1 ZINC000639171420 375616075 /nfs/dbraw/zinc/61/60/75/375616075.db2.gz CCFSRWLMESCQFH-JSGCOSHPSA-N 2 2 254.374 0.818 20 0 CCADLP CO[C@@H](C[N@H+]1CC[NH+]2CCC1CC2)[C@H]1CCOC1 ZINC000639171420 375616085 /nfs/dbraw/zinc/61/60/85/375616085.db2.gz CCFSRWLMESCQFH-JSGCOSHPSA-N 2 2 254.374 0.818 20 0 CCADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1c[nH+]c(N)nc1N ZINC000639191840 375626184 /nfs/dbraw/zinc/62/61/84/375626184.db2.gz XSJGCGBYGQVQDF-PWSUYJOCSA-N 2 2 276.388 0.360 20 0 CCADLP Cn1c[nH+]c(CC[NH2+]CC(C)(C)N2CCOCC2)c1 ZINC000639255894 375668424 /nfs/dbraw/zinc/66/84/24/375668424.db2.gz PIPPFPFBMRGESE-UHFFFAOYSA-N 2 2 266.389 0.663 20 0 CCADLP CC(C)n1c[nH+]cc1CN1CC[N@H+](C)C[C@@H]1CO ZINC000639332984 375731424 /nfs/dbraw/zinc/73/14/24/375731424.db2.gz DVFYAFHXHAKZSO-CYBMUJFWSA-N 2 2 252.362 0.572 20 0 CCADLP CC(C)n1c[nH+]cc1CN1CC[N@@H+](C)C[C@@H]1CO ZINC000639332984 375731430 /nfs/dbraw/zinc/73/14/30/375731430.db2.gz DVFYAFHXHAKZSO-CYBMUJFWSA-N 2 2 252.362 0.572 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CS1 ZINC000639349756 375751374 /nfs/dbraw/zinc/75/13/74/375751374.db2.gz QDHDPBBSEIIBLZ-WOPDTQHZSA-N 2 2 271.430 0.810 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CS1 ZINC000639349756 375751380 /nfs/dbraw/zinc/75/13/80/375751380.db2.gz QDHDPBBSEIIBLZ-WOPDTQHZSA-N 2 2 271.430 0.810 20 0 CCADLP O[C@@H]1CC[N@H+](CC[NH2+]C2CC(n3cccn3)C2)C1 ZINC000639353849 375752769 /nfs/dbraw/zinc/75/27/69/375752769.db2.gz BXNVYXHKYXYWTG-WXRRBKDZSA-N 2 2 250.346 0.243 20 0 CCADLP O[C@@H]1CC[N@@H+](CC[NH2+]C2CC(n3cccn3)C2)C1 ZINC000639353849 375752773 /nfs/dbraw/zinc/75/27/73/375752773.db2.gz BXNVYXHKYXYWTG-WXRRBKDZSA-N 2 2 250.346 0.243 20 0 CCADLP CC(=O)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000639531772 375825417 /nfs/dbraw/zinc/82/54/17/375825417.db2.gz PRBJJTXEWZRLOF-UHFFFAOYSA-N 2 2 281.400 0.452 20 0 CCADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccns1 ZINC000639805359 376020125 /nfs/dbraw/zinc/02/01/25/376020125.db2.gz CLKNIBZPURQENN-UHFFFAOYSA-N 2 2 282.413 0.739 20 0 CCADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccns1 ZINC000639805359 376020128 /nfs/dbraw/zinc/02/01/28/376020128.db2.gz CLKNIBZPURQENN-UHFFFAOYSA-N 2 2 282.413 0.739 20 0 CCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761854 375988258 /nfs/dbraw/zinc/98/82/58/375988258.db2.gz JMXFVENNDRKTAA-UKRRQHHQSA-N 2 2 285.432 0.632 20 0 CCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761854 375988262 /nfs/dbraw/zinc/98/82/62/375988262.db2.gz JMXFVENNDRKTAA-UKRRQHHQSA-N 2 2 285.432 0.632 20 0 CCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761853 375988460 /nfs/dbraw/zinc/98/84/60/375988460.db2.gz JMXFVENNDRKTAA-HIFRSBDPSA-N 2 2 285.432 0.632 20 0 CCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761853 375988467 /nfs/dbraw/zinc/98/84/67/375988467.db2.gz JMXFVENNDRKTAA-HIFRSBDPSA-N 2 2 285.432 0.632 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000639930761 376131528 /nfs/dbraw/zinc/13/15/28/376131528.db2.gz FTHDQPGMFMUWMM-FVQBIDKESA-N 2 2 294.395 0.423 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000639930761 376131535 /nfs/dbraw/zinc/13/15/35/376131535.db2.gz FTHDQPGMFMUWMM-FVQBIDKESA-N 2 2 294.395 0.423 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000639930761 376131539 /nfs/dbraw/zinc/13/15/39/376131539.db2.gz FTHDQPGMFMUWMM-FVQBIDKESA-N 2 2 294.395 0.423 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000639930761 376131546 /nfs/dbraw/zinc/13/15/46/376131546.db2.gz FTHDQPGMFMUWMM-FVQBIDKESA-N 2 2 294.395 0.423 20 0 CCADLP CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC([NH2+]CCOC)CC1 ZINC000574644214 335036725 /nfs/dbraw/zinc/03/67/25/335036725.db2.gz NPVYDJUGXIJSNW-CHWSQXEVSA-N 2 2 285.432 0.990 20 0 CCADLP Cc1ncsc1CC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640059062 376222030 /nfs/dbraw/zinc/22/20/30/376222030.db2.gz PEYTVTPLFIKLLF-UHFFFAOYSA-N 2 2 296.440 0.700 20 0 CCADLP Cc1ncsc1CC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640059062 376222037 /nfs/dbraw/zinc/22/20/37/376222037.db2.gz PEYTVTPLFIKLLF-UHFFFAOYSA-N 2 2 296.440 0.700 20 0 CCADLP CN(C)c1cc(NC(=O)NC[C@@H]2COCC[N@@H+]2C)cc[nH+]1 ZINC000640598366 376450465 /nfs/dbraw/zinc/45/04/65/376450465.db2.gz PLCXZBJIVGWRES-GFCCVEGCSA-N 2 2 293.371 0.600 20 0 CCADLP CN(C)c1cc(NC(=O)NC[C@@H]2COCC[N@H+]2C)cc[nH+]1 ZINC000640598366 376450466 /nfs/dbraw/zinc/45/04/66/376450466.db2.gz PLCXZBJIVGWRES-GFCCVEGCSA-N 2 2 293.371 0.600 20 0 CCADLP CC(C)[C@H](NC(=O)[C@@H]1C[N@H+](C)C[C@H](C)O1)c1[nH]cc[nH+]1 ZINC000640724704 376511558 /nfs/dbraw/zinc/51/15/58/376511558.db2.gz SNZKSYJTEIZCLW-SRVKXCTJSA-N 2 2 280.372 0.942 20 0 CCADLP CC(C)[C@H](NC(=O)[C@@H]1C[N@@H+](C)C[C@H](C)O1)c1[nH]cc[nH+]1 ZINC000640724704 376511567 /nfs/dbraw/zinc/51/15/67/376511567.db2.gz SNZKSYJTEIZCLW-SRVKXCTJSA-N 2 2 280.372 0.942 20 0 CCADLP COC[C@H]([NH3+])Cc1cn(Cc2ccc[nH+]c2C)nn1 ZINC000641051213 376717143 /nfs/dbraw/zinc/71/71/43/376717143.db2.gz IVOKZEUZUYZAHV-GFCCVEGCSA-N 2 2 261.329 0.546 20 0 CCADLP C[C@H]1C[C@@H](NS(=O)(=O)CCn2cc[nH+]c2)C[N@@H+]1C1CC1 ZINC000641375392 377047639 /nfs/dbraw/zinc/04/76/39/377047639.db2.gz FZGIMIFXOHZWTR-NWDGAFQWSA-N 2 2 298.412 0.428 20 0 CCADLP C[C@H]1C[C@@H](NS(=O)(=O)CCn2cc[nH+]c2)C[N@H+]1C1CC1 ZINC000641375392 377047642 /nfs/dbraw/zinc/04/76/42/377047642.db2.gz FZGIMIFXOHZWTR-NWDGAFQWSA-N 2 2 298.412 0.428 20 0 CCADLP Nc1cnccc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000641710219 377410956 /nfs/dbraw/zinc/41/09/56/377410956.db2.gz ONXYZPNJRZFIBD-GFCCVEGCSA-N 2 2 250.346 0.210 20 0 CCADLP CC1(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)COC1 ZINC000641786899 377464521 /nfs/dbraw/zinc/46/45/21/377464521.db2.gz JRCWBFYLSYHECI-OAHLLOKOSA-N 2 2 297.443 0.409 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCN2C(=O)NC(C)(C)C2=O)[C@H]1C ZINC000641805070 377475669 /nfs/dbraw/zinc/47/56/69/377475669.db2.gz DOZVIDAGQSEEHS-WOPDTQHZSA-N 2 2 296.415 0.765 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCN2C(=O)NC(C)(C)C2=O)[C@H]1C ZINC000641805070 377475676 /nfs/dbraw/zinc/47/56/76/377475676.db2.gz DOZVIDAGQSEEHS-WOPDTQHZSA-N 2 2 296.415 0.765 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2cc(=O)n(C)c(=O)n2C)[C@H]1C ZINC000641808843 377480176 /nfs/dbraw/zinc/48/01/76/377480176.db2.gz OEZQLERXCSICMN-WOPDTQHZSA-N 2 2 294.399 0.032 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)[C@H]1C ZINC000641808843 377480182 /nfs/dbraw/zinc/48/01/82/377480182.db2.gz OEZQLERXCSICMN-WOPDTQHZSA-N 2 2 294.399 0.032 20 0 CCADLP C[NH+](C)C/C=C\C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000492761672 249083602 /nfs/dbraw/zinc/08/36/02/249083602.db2.gz FZMWDVNKSPEZMP-NQHOJNORSA-N 2 2 274.368 0.672 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)C[C@@H](C)O1 ZINC000514597435 249091671 /nfs/dbraw/zinc/09/16/71/249091671.db2.gz QPEJPVDFQOGWEM-FWXGHANASA-N 2 2 298.427 0.614 20 0 CCADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](CO)c1cnn(C)c1 ZINC000514600731 249092308 /nfs/dbraw/zinc/09/23/08/249092308.db2.gz UMYIAECEJOYNHC-AWEZNQCLSA-N 2 2 260.341 0.989 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](OC(C)C)C1 ZINC000516084691 249150203 /nfs/dbraw/zinc/15/02/03/249150203.db2.gz BFGQPTNIOPUVRK-ZIAGYGMSSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](OC(C)C)C1 ZINC000516084691 249150205 /nfs/dbraw/zinc/15/02/05/249150205.db2.gz BFGQPTNIOPUVRK-ZIAGYGMSSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000516084691 249150206 /nfs/dbraw/zinc/15/02/06/249150206.db2.gz BFGQPTNIOPUVRK-ZIAGYGMSSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000516084691 249150208 /nfs/dbraw/zinc/15/02/08/249150208.db2.gz BFGQPTNIOPUVRK-ZIAGYGMSSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC(C2CCC2)C1 ZINC000516937580 249192353 /nfs/dbraw/zinc/19/23/53/249192353.db2.gz KVCKRAXMOGHRPP-AWEZNQCLSA-N 2 2 256.390 0.657 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC(C2CCC2)C1 ZINC000516937580 249192356 /nfs/dbraw/zinc/19/23/56/249192356.db2.gz KVCKRAXMOGHRPP-AWEZNQCLSA-N 2 2 256.390 0.657 20 0 CCADLP O=C(NCCCCn1cc[nH+]c1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000517046195 249202082 /nfs/dbraw/zinc/20/20/82/249202082.db2.gz YJYUBWFOAVGGJU-CQSZACIVSA-N 2 2 291.399 0.169 20 0 CCADLP O=C(NCCCCn1cc[nH+]c1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000517046195 249202084 /nfs/dbraw/zinc/20/20/84/249202084.db2.gz YJYUBWFOAVGGJU-CQSZACIVSA-N 2 2 291.399 0.169 20 0 CCADLP O[C@H]1CCCC[C@@H]1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000517122848 249204194 /nfs/dbraw/zinc/20/41/94/249204194.db2.gz LCJKLNMOOBDRAP-LXTVHRRPSA-N 2 2 268.401 0.894 20 0 CCADLP CCn1cc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)CCOC)cn1 ZINC000517244084 249211506 /nfs/dbraw/zinc/21/15/06/249211506.db2.gz BRYMWVMOKOVKCX-TZMCWYRMSA-N 2 2 284.404 0.493 20 0 CCADLP CCn1cc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)CCOC)cn1 ZINC000517244084 249211507 /nfs/dbraw/zinc/21/15/07/249211507.db2.gz BRYMWVMOKOVKCX-TZMCWYRMSA-N 2 2 284.404 0.493 20 0 CCADLP CN(CCC[N@H+](C)Cc1cc[nH]n1)CC[NH+](C)C ZINC000517626597 249224995 /nfs/dbraw/zinc/22/49/95/249224995.db2.gz HKLYHYULUAAYJB-UHFFFAOYSA-N 2 2 253.394 0.725 20 0 CCADLP CN(CCC[N@@H+](C)Cc1cc[nH]n1)CC[NH+](C)C ZINC000517626597 249224996 /nfs/dbraw/zinc/22/49/96/249224996.db2.gz HKLYHYULUAAYJB-UHFFFAOYSA-N 2 2 253.394 0.725 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)c[nH+]1 ZINC000517644082 249225920 /nfs/dbraw/zinc/22/59/20/249225920.db2.gz DJESMSTXTAESPB-GFCCVEGCSA-N 2 2 262.357 0.716 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)c[nH+]1 ZINC000517644082 249225922 /nfs/dbraw/zinc/22/59/22/249225922.db2.gz DJESMSTXTAESPB-GFCCVEGCSA-N 2 2 262.357 0.716 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC000517757513 249231481 /nfs/dbraw/zinc/23/14/81/249231481.db2.gz SDQMPSQDFJXGBB-HZSPNIEDSA-N 3 2 255.406 0.693 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)C1 ZINC000517757513 249231483 /nfs/dbraw/zinc/23/14/83/249231483.db2.gz SDQMPSQDFJXGBB-HZSPNIEDSA-N 3 2 255.406 0.693 20 0 CCADLP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000517934040 249234400 /nfs/dbraw/zinc/23/44/00/249234400.db2.gz PNHSFFWEVHXZNF-QWRGUYRKSA-N 2 2 286.339 0.390 20 0 CCADLP c1cn(-c2cc(N3C[C@H]4CCC[C@@H](C3)[NH2+]4)ncn2)c[nH+]1 ZINC000643030001 377696273 /nfs/dbraw/zinc/69/62/73/377696273.db2.gz ODCSPYZIOWINDM-TXEJJXNPSA-N 2 2 270.340 0.993 20 0 CCADLP C[C@@H]1CCN(C(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000657091696 412886673 /nfs/dbraw/zinc/88/66/73/412886673.db2.gz OOKJWOSUWXOEDX-CYBMUJFWSA-N 2 2 270.421 0.921 20 0 CCADLP C[C@@H]1CCN(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000657091696 412886677 /nfs/dbraw/zinc/88/66/77/412886677.db2.gz OOKJWOSUWXOEDX-CYBMUJFWSA-N 2 2 270.421 0.921 20 0 CCADLP C[C@H]1CCN(C(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000657091703 412886753 /nfs/dbraw/zinc/88/67/53/412886753.db2.gz OOKJWOSUWXOEDX-ZDUSSCGKSA-N 2 2 270.421 0.921 20 0 CCADLP C[C@H]1CCN(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000657091703 412886756 /nfs/dbraw/zinc/88/67/56/412886756.db2.gz OOKJWOSUWXOEDX-ZDUSSCGKSA-N 2 2 270.421 0.921 20 0 CCADLP COC1(C[NH2+]C[C@@H](C)C[NH+]2CCOCC2)CCOCC1 ZINC000428886351 284724634 /nfs/dbraw/zinc/72/46/34/284724634.db2.gz YUYIINAOALPNQL-CQSZACIVSA-N 2 2 286.416 0.740 20 0 CCADLP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@H](C)[NH+]2CC(C)C2)CC1 ZINC000569864755 291715698 /nfs/dbraw/zinc/71/56/98/291715698.db2.gz QSJMJBXOZBARLB-UONOGXRCSA-N 2 2 283.416 0.242 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+][C@@H]2C[C@H]2C2CC2)C[C@@H](C)O1 ZINC000569961475 291723748 /nfs/dbraw/zinc/72/37/48/291723748.db2.gz BPJSMXFPYKSUOC-NKQKNBIVSA-N 2 2 268.401 0.845 20 0 CCADLP COC[C@](C)(CC(=O)OC)[NH2+]CCn1cc[nH+]c1 ZINC000131920865 284812773 /nfs/dbraw/zinc/81/27/73/284812773.db2.gz IQDCBFYZNABQFP-LBPRGKRZSA-N 2 2 255.318 0.441 20 0 CCADLP C[C@H](CNC(=O)CCc1[nH]cc[nH+]1)[NH+]1CCOCC1 ZINC000279229767 194342925 /nfs/dbraw/zinc/34/29/25/194342925.db2.gz PZUWQXGFKFPXCB-LLVKDONJSA-N 2 2 266.345 0.179 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)Cn2cc[nH+]c2)C[C@H](C)O1 ZINC000279287309 194369771 /nfs/dbraw/zinc/36/97/71/194369771.db2.gz LEAJYVGOJLQNCK-BETUJISGSA-N 2 2 280.372 0.451 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)Cn2cc[nH+]c2)C[C@H](C)O1 ZINC000279287309 194369774 /nfs/dbraw/zinc/36/97/74/194369774.db2.gz LEAJYVGOJLQNCK-BETUJISGSA-N 2 2 280.372 0.451 20 0 CCADLP C[C@H]([C@H](C)NC(=O)CCc1[nH]cc[nH+]1)[NH+]1CCOCC1 ZINC000279351365 194396981 /nfs/dbraw/zinc/39/69/81/194396981.db2.gz FHGDSZJCVKSWBJ-NWDGAFQWSA-N 2 2 280.372 0.568 20 0 CCADLP C[C@H](CCO)C[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000570570241 291765908 /nfs/dbraw/zinc/76/59/08/291765908.db2.gz MIVCMIVCVCTMOO-SYQHCUMBSA-N 2 2 274.405 0.065 20 0 CCADLP Cc1cc(CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)cc(C)[nH+]1 ZINC000571047927 291787258 /nfs/dbraw/zinc/78/72/58/291787258.db2.gz UDNBWGVWRRWFSI-AWEZNQCLSA-N 2 2 292.383 0.414 20 0 CCADLP CS[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH+](C)C ZINC000281051270 295644032 /nfs/dbraw/zinc/64/40/32/295644032.db2.gz BLDGBVMEYCTPTR-CHWSQXEVSA-N 2 2 296.440 0.857 20 0 CCADLP [NH3+][C@@H](C(=O)N1CCC[NH2+]CC1)c1c(F)cccc1F ZINC000334951546 207345045 /nfs/dbraw/zinc/34/50/45/207345045.db2.gz QWFHBJIXPAPDIY-GFCCVEGCSA-N 2 2 269.295 0.787 20 0 CCADLP [NH3+][C@H](C(=O)N[C@H]1CCC[NH2+]C1)c1c(F)cccc1F ZINC000334961843 207369061 /nfs/dbraw/zinc/36/90/61/207369061.db2.gz NMNLORAROGWOBF-UFBFGSQYSA-N 2 2 269.295 0.833 20 0 CCADLP COCC[N@@H+]1CCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263317844 285016310 /nfs/dbraw/zinc/01/63/10/285016310.db2.gz ZSTAPRLQTGRCJL-LLVKDONJSA-N 2 2 291.342 0.164 20 0 CCADLP COCC[N@H+]1CCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263317844 285016313 /nfs/dbraw/zinc/01/63/13/285016313.db2.gz ZSTAPRLQTGRCJL-LLVKDONJSA-N 2 2 291.342 0.164 20 0 CCADLP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000449128430 533009963 /nfs/dbraw/zinc/00/99/63/533009963.db2.gz SGFLYMDOUWCEMA-UONOGXRCSA-N 2 2 297.443 0.990 20 0 CCADLP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000449128430 533009967 /nfs/dbraw/zinc/00/99/67/533009967.db2.gz SGFLYMDOUWCEMA-UONOGXRCSA-N 2 2 297.443 0.990 20 0 CCADLP CS[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1[NH+](C)C ZINC000281051274 195084253 /nfs/dbraw/zinc/08/42/53/195084253.db2.gz BLDGBVMEYCTPTR-QWHCGFSZSA-N 2 2 296.440 0.857 20 0 CCADLP C[NH+]1CCC(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000571845361 291841193 /nfs/dbraw/zinc/84/11/93/291841193.db2.gz FWZOKJGTSROCLU-CYBMUJFWSA-N 2 2 276.384 0.904 20 0 CCADLP C[C@H](CS(C)(=O)=O)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657361043 412973296 /nfs/dbraw/zinc/97/32/96/412973296.db2.gz YYBQAXKHJXUCOT-SECBINFHSA-N 2 2 257.359 0.352 20 0 CCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C(C)(C)[NH3+])C1 ZINC000335369223 208296443 /nfs/dbraw/zinc/29/64/43/208296443.db2.gz USAOSGLRIWIOOI-NSHDSACASA-N 2 2 264.373 0.939 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccnn1CC1CC1 ZINC000657416159 412984005 /nfs/dbraw/zinc/98/40/05/412984005.db2.gz QIUBZEXVOFTVFD-AWEZNQCLSA-N 2 2 266.389 0.695 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cnn2c1CCC2 ZINC000657416845 412985843 /nfs/dbraw/zinc/98/58/43/412985843.db2.gz XUHWHYBIGHJFLG-CYBMUJFWSA-N 2 2 252.362 0.232 20 0 CCADLP C[C@H]1C[N@@H+](CCN2CC[NH+](CC(C)(C)O)C[C@@H]2C)CCO1 ZINC000249295284 285109403 /nfs/dbraw/zinc/10/94/03/285109403.db2.gz QWQFGNITUCPINM-GJZGRUSLSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@H]1C[NH+](CCN2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CCO1 ZINC000249295284 285109405 /nfs/dbraw/zinc/10/94/05/285109405.db2.gz QWQFGNITUCPINM-GJZGRUSLSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@H]1C[NH+](CCN2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CCO1 ZINC000249295284 285109406 /nfs/dbraw/zinc/10/94/06/285109406.db2.gz QWQFGNITUCPINM-GJZGRUSLSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](CCO)[C@H](C)C1)[NH+]1CCCCCC1 ZINC000249496097 285120122 /nfs/dbraw/zinc/12/01/22/285120122.db2.gz GUWDUEMBVPEMSY-CABCVRRESA-N 2 2 297.443 0.776 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](CCO)[C@H](C)C1)[NH+]1CCCCCC1 ZINC000249496097 285120123 /nfs/dbraw/zinc/12/01/23/285120123.db2.gz GUWDUEMBVPEMSY-CABCVRRESA-N 2 2 297.443 0.776 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)NC[C@H](C)[NH+](C)C ZINC000454993876 533080225 /nfs/dbraw/zinc/08/02/25/533080225.db2.gz SHMHSJOGTJMZOP-JTQLQIEISA-N 2 2 266.345 0.840 20 0 CCADLP COc1ccc(OC)c(C[NH2+]C[C@H]2C[NH2+]CCO2)c1 ZINC000258944929 285153750 /nfs/dbraw/zinc/15/37/50/285153750.db2.gz QBVZJQQWHKKGCC-CYBMUJFWSA-N 2 2 266.341 0.782 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)CC1 ZINC000305168192 285170308 /nfs/dbraw/zinc/17/03/08/285170308.db2.gz IMPVBCRWRBRBSF-RRFJBIMHSA-N 2 2 297.443 0.632 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H](C)O)C2)CC1 ZINC000305168192 285170310 /nfs/dbraw/zinc/17/03/10/285170310.db2.gz IMPVBCRWRBRBSF-RRFJBIMHSA-N 2 2 297.443 0.632 20 0 CCADLP C[N@H+](CC(=O)NC(=O)Nc1ccccc1)C1CC([NH3+])C1 ZINC000420328112 285242260 /nfs/dbraw/zinc/24/22/60/285242260.db2.gz HNJFPDNBLCPVRS-UHFFFAOYSA-N 2 2 276.340 0.756 20 0 CCADLP C[N@@H+](CC(=O)NC(=O)Nc1ccccc1)C1CC([NH3+])C1 ZINC000420328112 285242264 /nfs/dbraw/zinc/24/22/64/285242264.db2.gz HNJFPDNBLCPVRS-UHFFFAOYSA-N 2 2 276.340 0.756 20 0 CCADLP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c(=O)n(C)c1=O ZINC000657524415 413017775 /nfs/dbraw/zinc/01/77/75/413017775.db2.gz LABDOLREQPJGKN-GFCCVEGCSA-N 2 2 294.399 0.046 20 0 CCADLP Cn1cc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c(=O)n(C)c1=O ZINC000657524415 413017780 /nfs/dbraw/zinc/01/77/80/413017780.db2.gz LABDOLREQPJGKN-GFCCVEGCSA-N 2 2 294.399 0.046 20 0 CCADLP [NH3+]CCCn1cc(C(=O)NCc2ccn3cc[nH+]c3c2)nn1 ZINC000521871208 285292532 /nfs/dbraw/zinc/29/25/32/285292532.db2.gz YKDSRQMMVRUSNT-UHFFFAOYSA-N 2 2 299.338 0.205 20 0 CCADLP [NH3+][C@H](C(=O)NCC[NH+]1CCSCC1)c1cscn1 ZINC000521869808 285291912 /nfs/dbraw/zinc/29/19/12/285291912.db2.gz SRQCUYOBPWARKU-JTQLQIEISA-N 2 2 286.426 0.308 20 0 CCADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cc[nH]n3)CC2)CC1 ZINC000289760575 388890252 /nfs/dbraw/zinc/89/02/52/388890252.db2.gz JWARQYYALULUJI-UHFFFAOYSA-N 2 2 291.399 0.396 20 0 CCADLP CO[C@H](C[NH3+])C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000289590799 388874427 /nfs/dbraw/zinc/87/44/27/388874427.db2.gz NBASMKDMKQUSEB-GFCCVEGCSA-N 2 2 278.356 0.272 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCC(c2nc(=O)[nH][nH]2)CC1 ZINC000289588004 388874655 /nfs/dbraw/zinc/87/46/55/388874655.db2.gz ZJZOQZYCPRTBIS-UHFFFAOYSA-N 2 2 276.344 0.483 20 0 CCADLP COCCn1cc(C[N@@H+]2CCn3c[nH+]cc3C2)cn1 ZINC000291545506 388926382 /nfs/dbraw/zinc/92/63/82/388926382.db2.gz LSOZXJBJGTYYIR-UHFFFAOYSA-N 2 2 261.329 0.742 20 0 CCADLP COCCn1cc(C[N@H+]2CCn3c[nH+]cc3C2)cn1 ZINC000291545506 388926385 /nfs/dbraw/zinc/92/63/85/388926385.db2.gz LSOZXJBJGTYYIR-UHFFFAOYSA-N 2 2 261.329 0.742 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)NCc2c[nH+]cn2C)CC1 ZINC000292333261 388948334 /nfs/dbraw/zinc/94/83/34/388948334.db2.gz NDPXARVIYAWWOT-UHFFFAOYSA-N 2 2 295.387 0.284 20 0 CCADLP CC(C)NC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069857426 388951657 /nfs/dbraw/zinc/95/16/57/388951657.db2.gz RNWXIMWNYOGCGR-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP CC(C)NC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069857426 388951659 /nfs/dbraw/zinc/95/16/59/388951659.db2.gz RNWXIMWNYOGCGR-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C1CCCC1 ZINC000070306908 388955702 /nfs/dbraw/zinc/95/57/02/388955702.db2.gz MNRAGIMNMWDGGE-GFCCVEGCSA-N 2 2 253.390 0.929 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000073472019 388976892 /nfs/dbraw/zinc/97/68/92/388976892.db2.gz ZTJZOMZGIIKFFV-LBPRGKRZSA-N 2 2 290.367 0.739 20 0 CCADLP CC[C@@H]1CN(CC[N@@H+]2CCOC[C@@H]2C)CC[NH+]1CCOC ZINC000191484426 389011873 /nfs/dbraw/zinc/01/18/73/389011873.db2.gz VYYRRTXCWLVENK-JKSUJKDBSA-N 2 2 299.459 0.750 20 0 CCADLP CC[C@@H]1CN(CC[N@H+]2CCOC[C@@H]2C)CC[NH+]1CCOC ZINC000191484426 389011874 /nfs/dbraw/zinc/01/18/74/389011874.db2.gz VYYRRTXCWLVENK-JKSUJKDBSA-N 2 2 299.459 0.750 20 0 CCADLP CC[C@@H]1CN(CC[NH+]2CCOC[C@@H]2C)CC[N@@H+]1CCOC ZINC000191484426 389011875 /nfs/dbraw/zinc/01/18/75/389011875.db2.gz VYYRRTXCWLVENK-JKSUJKDBSA-N 2 2 299.459 0.750 20 0 CCADLP CC[C@@H]1CN(CC[NH+]2CCOC[C@@H]2C)CC[N@H+]1CCOC ZINC000191484426 389011877 /nfs/dbraw/zinc/01/18/77/389011877.db2.gz VYYRRTXCWLVENK-JKSUJKDBSA-N 2 2 299.459 0.750 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC[NH+]([C@@H]3CCOC3)CC2)CCO1 ZINC000336735978 389017606 /nfs/dbraw/zinc/01/76/06/389017606.db2.gz XXJJOSPKCKBFJK-TZMCWYRMSA-N 2 2 254.374 0.960 20 0 CCADLP C[C@@H]1C[N@H+](C2CC[NH+]([C@@H]3CCOC3)CC2)CCO1 ZINC000336735978 389017610 /nfs/dbraw/zinc/01/76/10/389017610.db2.gz XXJJOSPKCKBFJK-TZMCWYRMSA-N 2 2 254.374 0.960 20 0 CCADLP C[NH+]1CCN(C(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000298459931 389021633 /nfs/dbraw/zinc/02/16/33/389021633.db2.gz UELQPMJNDLZPMN-UHFFFAOYSA-N 2 2 273.340 0.791 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCN(C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000337171752 389050646 /nfs/dbraw/zinc/05/06/46/389050646.db2.gz GBBKDNYMNUTLBM-UKRRQHHQSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCN(C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000337171752 389050649 /nfs/dbraw/zinc/05/06/49/389050649.db2.gz GBBKDNYMNUTLBM-UKRRQHHQSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000337171752 389050653 /nfs/dbraw/zinc/05/06/53/389050653.db2.gz GBBKDNYMNUTLBM-UKRRQHHQSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000337171752 389050655 /nfs/dbraw/zinc/05/06/55/389050655.db2.gz GBBKDNYMNUTLBM-UKRRQHHQSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@H](Nc1cc[nH+]cc1C(N)=O)[C@H](C)[NH+]1CCOCC1 ZINC000302222918 389065806 /nfs/dbraw/zinc/06/58/06/389065806.db2.gz NDKPXAZNWXQCOX-QWRGUYRKSA-N 2 2 278.356 0.702 20 0 CCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C[NH3+])CC2)cc1 ZINC000098135818 389069818 /nfs/dbraw/zinc/06/98/18/389069818.db2.gz XBSOCQFBFFNXIG-UHFFFAOYSA-N 2 2 277.368 0.688 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CC[NH+]1CCOCC1 ZINC000355407193 389074267 /nfs/dbraw/zinc/07/42/67/389074267.db2.gz GQFTZAQWSPXKEK-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@@H]1CCC[N@H+](CCNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000338149608 389079710 /nfs/dbraw/zinc/07/97/10/389079710.db2.gz HERLHDGMGMNUGA-CQSZACIVSA-N 2 2 297.443 0.945 20 0 CCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000338149608 389079712 /nfs/dbraw/zinc/07/97/12/389079712.db2.gz HERLHDGMGMNUGA-CQSZACIVSA-N 2 2 297.443 0.945 20 0 CCADLP CCO[C@H]1C[C@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000093175628 389035034 /nfs/dbraw/zinc/03/50/34/389035034.db2.gz XHHCPWVZNUUZFS-KBPBESRZSA-N 2 2 297.443 0.896 20 0 CCADLP CCO[C@H]1C[C@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000093175628 389035037 /nfs/dbraw/zinc/03/50/37/389035037.db2.gz XHHCPWVZNUUZFS-KBPBESRZSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cc[nH+]c(N)c1 ZINC000298662207 389037719 /nfs/dbraw/zinc/03/77/19/389037719.db2.gz YCHWSYYZJXQMEE-LBPRGKRZSA-N 2 2 278.400 0.941 20 0 CCADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1cc[nH+]c(N)c1 ZINC000298662207 389037725 /nfs/dbraw/zinc/03/77/25/389037725.db2.gz YCHWSYYZJXQMEE-LBPRGKRZSA-N 2 2 278.400 0.941 20 0 CCADLP O=C(NCCn1cc[nH+]c1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298670810 389039243 /nfs/dbraw/zinc/03/92/43/389039243.db2.gz VLIZPIUPOTVIKD-OLZOCXBDSA-N 2 2 277.372 0.809 20 0 CCADLP O=C(NCCn1cc[nH+]c1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000298670810 389039245 /nfs/dbraw/zinc/03/92/45/389039245.db2.gz VLIZPIUPOTVIKD-OLZOCXBDSA-N 2 2 277.372 0.809 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)CC(C)(C)OC ZINC000310757731 389098123 /nfs/dbraw/zinc/09/81/23/389098123.db2.gz LSYKGMZNWQWIIR-GFCCVEGCSA-N 2 2 262.394 0.282 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)CC(C)(C)OC ZINC000310757731 389098126 /nfs/dbraw/zinc/09/81/26/389098126.db2.gz LSYKGMZNWQWIIR-GFCCVEGCSA-N 2 2 262.394 0.282 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)CC(C)(C)OC ZINC000310757731 389098129 /nfs/dbraw/zinc/09/81/29/389098129.db2.gz LSYKGMZNWQWIIR-GFCCVEGCSA-N 2 2 262.394 0.282 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)CC(C)(C)OC ZINC000310757731 389098132 /nfs/dbraw/zinc/09/81/32/389098132.db2.gz LSYKGMZNWQWIIR-GFCCVEGCSA-N 2 2 262.394 0.282 20 0 CCADLP C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338288392 389106505 /nfs/dbraw/zinc/10/65/05/389106505.db2.gz ZQWMFKSXVSDIHG-UONOGXRCSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@@H]1CN(C)[C@@H](C)C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338288392 389106507 /nfs/dbraw/zinc/10/65/07/389106507.db2.gz ZQWMFKSXVSDIHG-UONOGXRCSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1CCC(=O)N1CC[NH+](C)CC1 ZINC000338288392 389106509 /nfs/dbraw/zinc/10/65/09/389106509.db2.gz ZQWMFKSXVSDIHG-UONOGXRCSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1CCC(=O)N1CC[NH+](C)CC1 ZINC000338288392 389106511 /nfs/dbraw/zinc/10/65/11/389106511.db2.gz ZQWMFKSXVSDIHG-UONOGXRCSA-N 2 2 282.432 0.175 20 0 CCADLP C[N@@H+]1CCN(C(=O)/C=C\c2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000312151937 389107889 /nfs/dbraw/zinc/10/78/89/389107889.db2.gz QLOUQVALYLQVRO-ZBKLQPJUSA-N 2 2 277.343 0.940 20 0 CCADLP C[N@H+]1CCN(C(=O)/C=C\c2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000312151937 389107890 /nfs/dbraw/zinc/10/78/90/389107890.db2.gz QLOUQVALYLQVRO-ZBKLQPJUSA-N 2 2 277.343 0.940 20 0 CCADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCOc1ccc(S(N)(=O)=O)cc1 ZINC000312340547 389107933 /nfs/dbraw/zinc/10/79/33/389107933.db2.gz VUBGQAUZAFHGKC-GWCFXTLKSA-N 2 2 299.396 0.134 20 0 CCADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCOc1ccc(S(N)(=O)=O)cc1 ZINC000312340547 389107934 /nfs/dbraw/zinc/10/79/34/389107934.db2.gz VUBGQAUZAFHGKC-GWCFXTLKSA-N 2 2 299.396 0.134 20 0 CCADLP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313395578 389114125 /nfs/dbraw/zinc/11/41/25/389114125.db2.gz PLOZETGWSMSJHR-YPMHNXCESA-N 2 2 271.405 0.729 20 0 CCADLP CCC(CC)NC(=O)[C@@H](C)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313395578 389114127 /nfs/dbraw/zinc/11/41/27/389114127.db2.gz PLOZETGWSMSJHR-YPMHNXCESA-N 2 2 271.405 0.729 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@](O)(CO)C1 ZINC000314493581 389117745 /nfs/dbraw/zinc/11/77/45/389117745.db2.gz DISXEOLNSQSILO-CYBMUJFWSA-N 2 2 253.346 0.172 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@](O)(CO)C1 ZINC000314493581 389117748 /nfs/dbraw/zinc/11/77/48/389117748.db2.gz DISXEOLNSQSILO-CYBMUJFWSA-N 2 2 253.346 0.172 20 0 CCADLP CN(C)c1nc(N2CC[NH+]([C@H]3CCNC3=O)CC2)cc[nH+]1 ZINC000328606295 389128996 /nfs/dbraw/zinc/12/89/96/389128996.db2.gz KGYUNMWILFIGNK-NSHDSACASA-N 2 2 290.371 0.393 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000356982548 389129894 /nfs/dbraw/zinc/12/98/94/389129894.db2.gz VDJVKWLAFJUIBC-CABCVRRESA-N 2 2 295.427 0.794 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000356982548 389129898 /nfs/dbraw/zinc/12/98/98/389129898.db2.gz VDJVKWLAFJUIBC-CABCVRRESA-N 2 2 295.427 0.794 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+]CCCS(C)(=O)=O)[C@@H](C)C1 ZINC000358036943 389141533 /nfs/dbraw/zinc/14/15/33/389141533.db2.gz LEWSDLCFZUKBEW-RYUDHWBXSA-N 2 2 262.419 0.741 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+]CCCS(C)(=O)=O)[C@@H](C)C1 ZINC000358036943 389141534 /nfs/dbraw/zinc/14/15/34/389141534.db2.gz LEWSDLCFZUKBEW-RYUDHWBXSA-N 2 2 262.419 0.741 20 0 CCADLP COc1ccccc1[C@H](CNC(=O)C[NH+](C)C)[NH+](C)C ZINC000340093799 389150597 /nfs/dbraw/zinc/15/05/97/389150597.db2.gz WYJLHYPMSIJOIM-ZDUSSCGKSA-N 2 2 279.384 0.976 20 0 CCADLP C[C@@]1(C[N@H+](CCC(F)(F)F)C[C@H](O)CO)CC[NH2+]C1 ZINC000340706399 389162903 /nfs/dbraw/zinc/16/29/03/389162903.db2.gz HSCRBAMDIXWGNE-WDEREUQCSA-N 2 2 284.322 0.594 20 0 CCADLP C[C@@]1(C[N@@H+](CCC(F)(F)F)C[C@H](O)CO)CC[NH2+]C1 ZINC000340706399 389162905 /nfs/dbraw/zinc/16/29/05/389162905.db2.gz HSCRBAMDIXWGNE-WDEREUQCSA-N 2 2 284.322 0.594 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H](CO)C1CCOCC1 ZINC000360806290 389204421 /nfs/dbraw/zinc/20/44/21/389204421.db2.gz MYRBVZLIESRPLO-BYCMXARLSA-N 2 2 268.401 0.846 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H](CO)C1CCOCC1 ZINC000360806290 389204426 /nfs/dbraw/zinc/20/44/26/389204426.db2.gz MYRBVZLIESRPLO-BYCMXARLSA-N 2 2 268.401 0.846 20 0 CCADLP C[C@H](O)C[N@H+](C)C1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000340862657 389163897 /nfs/dbraw/zinc/16/38/97/389163897.db2.gz AKMGRNAIJCDCRH-JSGCOSHPSA-N 2 2 283.416 0.432 20 0 CCADLP C[C@H](O)C[N@@H+](C)C1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000340862657 389163899 /nfs/dbraw/zinc/16/38/99/389163899.db2.gz AKMGRNAIJCDCRH-JSGCOSHPSA-N 2 2 283.416 0.432 20 0 CCADLP CC[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000236909877 389177819 /nfs/dbraw/zinc/17/78/19/389177819.db2.gz TYKZWCLPSRRXMT-GJZGRUSLSA-N 2 2 291.395 0.913 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248141069 389244842 /nfs/dbraw/zinc/24/48/42/389244842.db2.gz PQHYNWWLWZDKDV-SRVKXCTJSA-N 2 2 282.388 0.247 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248141069 389244844 /nfs/dbraw/zinc/24/48/44/389244844.db2.gz PQHYNWWLWZDKDV-SRVKXCTJSA-N 2 2 282.388 0.247 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248141069 389244846 /nfs/dbraw/zinc/24/48/46/389244846.db2.gz PQHYNWWLWZDKDV-SRVKXCTJSA-N 2 2 282.388 0.247 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248141069 389244848 /nfs/dbraw/zinc/24/48/48/389244848.db2.gz PQHYNWWLWZDKDV-SRVKXCTJSA-N 2 2 282.388 0.247 20 0 CCADLP C[C@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000136662611 389267844 /nfs/dbraw/zinc/26/78/44/389267844.db2.gz BXSYYMJAIPOZNU-GJZGRUSLSA-N 2 2 297.443 0.944 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)NCCC[NH+](C)C ZINC000136049866 389264445 /nfs/dbraw/zinc/26/44/45/389264445.db2.gz APKFGZNUPKYJPE-VOTSOKGWSA-N 2 2 250.346 0.984 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000330960983 389264422 /nfs/dbraw/zinc/26/44/22/389264422.db2.gz POTFLLBLYWDDSU-NSHDSACASA-N 2 2 250.346 0.943 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000330960983 389264425 /nfs/dbraw/zinc/26/44/25/389264425.db2.gz POTFLLBLYWDDSU-NSHDSACASA-N 2 2 250.346 0.943 20 0 CCADLP OC[C@@H](O)C[N@H+](CCn1cc[nH+]c1)CCC(F)(F)F ZINC000131672777 389216418 /nfs/dbraw/zinc/21/64/18/389216418.db2.gz FDWKNOLJRHBUKY-JTQLQIEISA-N 2 2 281.278 0.491 20 0 CCADLP OC[C@@H](O)C[N@@H+](CCn1cc[nH+]c1)CCC(F)(F)F ZINC000131672777 389216420 /nfs/dbraw/zinc/21/64/20/389216420.db2.gz FDWKNOLJRHBUKY-JTQLQIEISA-N 2 2 281.278 0.491 20 0 CCADLP CC[N@H+](CC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1)C1CC1 ZINC000132424089 389223888 /nfs/dbraw/zinc/22/38/88/389223888.db2.gz YLNQDFUOTIKWNX-CQSZACIVSA-N 2 2 296.459 0.470 20 0 CCADLP CC[N@@H+](CC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1)C1CC1 ZINC000132424089 389223890 /nfs/dbraw/zinc/22/38/90/389223890.db2.gz YLNQDFUOTIKWNX-CQSZACIVSA-N 2 2 296.459 0.470 20 0 CCADLP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000246235881 389226165 /nfs/dbraw/zinc/22/61/65/389226165.db2.gz NJCWBESLTOXUEM-ZIAGYGMSSA-N 2 2 298.431 0.347 20 0 CCADLP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000246235881 389226167 /nfs/dbraw/zinc/22/61/67/389226167.db2.gz NJCWBESLTOXUEM-ZIAGYGMSSA-N 2 2 298.431 0.347 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1n1cc[nH+]c1 ZINC000246383964 389227570 /nfs/dbraw/zinc/22/75/70/389227570.db2.gz ZXUUDHFZYSRMPR-VXGBXAGGSA-N 2 2 250.346 0.854 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1n1cc[nH+]c1 ZINC000246383964 389227573 /nfs/dbraw/zinc/22/75/73/389227573.db2.gz ZXUUDHFZYSRMPR-VXGBXAGGSA-N 2 2 250.346 0.854 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000342601724 389228331 /nfs/dbraw/zinc/22/83/31/389228331.db2.gz PLPQPIQZTWHETF-ZYHUDNBSSA-N 2 2 279.388 0.300 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000342601724 389228337 /nfs/dbraw/zinc/22/83/37/389228337.db2.gz PLPQPIQZTWHETF-ZYHUDNBSSA-N 2 2 279.388 0.300 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000133713393 389238241 /nfs/dbraw/zinc/23/82/41/389238241.db2.gz OUGWMAFZPPHZQJ-NWDGAFQWSA-N 2 2 262.357 0.714 20 0 CCADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000133725307 389238406 /nfs/dbraw/zinc/23/84/06/389238406.db2.gz LURUBAIYJZYLEZ-RISCZKNCSA-N 2 2 269.389 0.293 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000331665727 389310277 /nfs/dbraw/zinc/31/02/77/389310277.db2.gz PHGOIHPTTKQJKN-FZMZJTMJSA-N 2 2 282.388 0.248 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000331665727 389310279 /nfs/dbraw/zinc/31/02/79/389310279.db2.gz PHGOIHPTTKQJKN-FZMZJTMJSA-N 2 2 282.388 0.248 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000331665727 389310280 /nfs/dbraw/zinc/31/02/80/389310280.db2.gz PHGOIHPTTKQJKN-FZMZJTMJSA-N 2 2 282.388 0.248 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000331665727 389310283 /nfs/dbraw/zinc/31/02/83/389310283.db2.gz PHGOIHPTTKQJKN-FZMZJTMJSA-N 2 2 282.388 0.248 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC000156138436 389324107 /nfs/dbraw/zinc/32/41/07/389324107.db2.gz UCALBBNQPYHJFK-BDAKNGLRSA-N 2 2 267.295 0.737 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)CC[N@H+]1C ZINC000156138436 389324110 /nfs/dbraw/zinc/32/41/10/389324110.db2.gz UCALBBNQPYHJFK-BDAKNGLRSA-N 2 2 267.295 0.737 20 0 CCADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCn3cc[nH+]c3C2)C1(C)C ZINC000157226478 389329611 /nfs/dbraw/zinc/32/96/11/389329611.db2.gz SKUKXABJBRQMAP-ABAIWWIYSA-N 2 2 292.383 0.758 20 0 CCADLP COc1c(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)c(C)nn1C ZINC000158509535 389344383 /nfs/dbraw/zinc/34/43/83/389344383.db2.gz JQOGPAOFLHOTBQ-SKDRFNHKSA-N 2 2 252.362 0.906 20 0 CCADLP COc1c(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c(C)nn1C ZINC000158509535 389344386 /nfs/dbraw/zinc/34/43/86/389344386.db2.gz JQOGPAOFLHOTBQ-SKDRFNHKSA-N 2 2 252.362 0.906 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)O1 ZINC000364495279 389270257 /nfs/dbraw/zinc/27/02/57/389270257.db2.gz ZZRWIRGTKOPKBP-VHDGCEQUSA-N 2 2 295.427 0.968 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)O1 ZINC000364495279 389270260 /nfs/dbraw/zinc/27/02/60/389270260.db2.gz ZZRWIRGTKOPKBP-VHDGCEQUSA-N 2 2 295.427 0.968 20 0 CCADLP CS(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261549607 389271302 /nfs/dbraw/zinc/27/13/02/389271302.db2.gz KRRMMJONQARUNU-VXGBXAGGSA-N 2 2 260.403 0.495 20 0 CCADLP CS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261549607 389271304 /nfs/dbraw/zinc/27/13/04/389271304.db2.gz KRRMMJONQARUNU-VXGBXAGGSA-N 2 2 260.403 0.495 20 0 CCADLP C[C@H]([NH3+])CC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000261858337 389278075 /nfs/dbraw/zinc/27/80/75/389278075.db2.gz PKYXMEQGSIQILI-DZGCQCFKSA-N 2 2 291.395 0.913 20 0 CCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366568506 389305394 /nfs/dbraw/zinc/30/53/94/389305394.db2.gz WSSBNDHCVIVSOS-CQSZACIVSA-N 2 2 253.390 0.882 20 0 CCADLP CCN(CC)C(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366568506 389305397 /nfs/dbraw/zinc/30/53/97/389305397.db2.gz WSSBNDHCVIVSOS-CQSZACIVSA-N 2 2 253.390 0.882 20 0 CCADLP CCN(CC)C(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366568506 389305400 /nfs/dbraw/zinc/30/54/00/389305400.db2.gz WSSBNDHCVIVSOS-CQSZACIVSA-N 2 2 253.390 0.882 20 0 CCADLP CCN(CC)C(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366568506 389305403 /nfs/dbraw/zinc/30/54/03/389305403.db2.gz WSSBNDHCVIVSOS-CQSZACIVSA-N 2 2 253.390 0.882 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCc1[nH+]ccn1C ZINC000264146793 389308967 /nfs/dbraw/zinc/30/89/67/389308967.db2.gz GGTICEAAVUEPAY-NSHDSACASA-N 2 2 250.346 0.911 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)NCc1[nH+]ccn1C ZINC000264146793 389308970 /nfs/dbraw/zinc/30/89/70/389308970.db2.gz GGTICEAAVUEPAY-NSHDSACASA-N 2 2 250.346 0.911 20 0 CCADLP CNC(=O)C[N@@H+]1CCCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000368720226 389385061 /nfs/dbraw/zinc/38/50/61/389385061.db2.gz WKWWCOBJCKXSEL-UHFFFAOYSA-N 2 2 277.372 0.352 20 0 CCADLP CNC(=O)C[N@H+]1CCCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000368720226 389385064 /nfs/dbraw/zinc/38/50/64/389385064.db2.gz WKWWCOBJCKXSEL-UHFFFAOYSA-N 2 2 277.372 0.352 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](CCc2cncs2)CC1 ZINC000411160279 389418091 /nfs/dbraw/zinc/41/80/91/389418091.db2.gz BKQAOFFMZBLTEQ-UHFFFAOYSA-N 2 2 282.413 0.391 20 0 CCADLP COCC[N@@H+]1CC[C@H]([NH2+]CCCC2(O)CCC2)C1 ZINC000421377736 389360803 /nfs/dbraw/zinc/36/08/03/389360803.db2.gz IAUDFAZHPYFPAN-ZDUSSCGKSA-N 2 2 256.390 0.992 20 0 CCADLP COCC[N@H+]1CC[C@H]([NH2+]CCCC2(O)CCC2)C1 ZINC000421377736 389360808 /nfs/dbraw/zinc/36/08/08/389360808.db2.gz IAUDFAZHPYFPAN-ZDUSSCGKSA-N 2 2 256.390 0.992 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCc3nnnn3CC2)C1 ZINC000421400838 389361919 /nfs/dbraw/zinc/36/19/19/389361919.db2.gz SPKKZWRSRCKSHI-SDDRHHMPSA-N 2 2 264.377 0.308 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCc3nnnn3CC2)C1 ZINC000421400838 389361920 /nfs/dbraw/zinc/36/19/20/389361920.db2.gz SPKKZWRSRCKSHI-SDDRHHMPSA-N 2 2 264.377 0.308 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCF)CC1 ZINC000162194374 389415816 /nfs/dbraw/zinc/41/58/16/389415816.db2.gz GRJZWPGZSORJAI-GFCCVEGCSA-N 2 2 257.353 0.584 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCF)CC1 ZINC000162194374 389415820 /nfs/dbraw/zinc/41/58/20/389415820.db2.gz GRJZWPGZSORJAI-GFCCVEGCSA-N 2 2 257.353 0.584 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@H]1CCCC[NH2+]1 ZINC000422743526 389465205 /nfs/dbraw/zinc/46/52/05/389465205.db2.gz RQNUJJYWRTWLNJ-RRFJBIMHSA-N 3 2 296.459 0.694 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@H]1CCCC[NH2+]1 ZINC000422743526 389465208 /nfs/dbraw/zinc/46/52/08/389465208.db2.gz RQNUJJYWRTWLNJ-RRFJBIMHSA-N 3 2 296.459 0.694 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000373256072 389467975 /nfs/dbraw/zinc/46/79/75/389467975.db2.gz AGJUZRFXSAXYBX-NEPJUHHUSA-N 2 2 275.418 0.224 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000373256072 389467981 /nfs/dbraw/zinc/46/79/81/389467981.db2.gz AGJUZRFXSAXYBX-NEPJUHHUSA-N 2 2 275.418 0.224 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000373256072 389467983 /nfs/dbraw/zinc/46/79/83/389467983.db2.gz AGJUZRFXSAXYBX-NEPJUHHUSA-N 2 2 275.418 0.224 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000373256072 389467987 /nfs/dbraw/zinc/46/79/87/389467987.db2.gz AGJUZRFXSAXYBX-NEPJUHHUSA-N 2 2 275.418 0.224 20 0 CCADLP O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000422790385 389475612 /nfs/dbraw/zinc/47/56/12/389475612.db2.gz TZJXMZYTZHGZCX-JSGCOSHPSA-N 2 2 281.400 0.498 20 0 CCADLP O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000422790385 389475615 /nfs/dbraw/zinc/47/56/15/389475615.db2.gz TZJXMZYTZHGZCX-JSGCOSHPSA-N 2 2 281.400 0.498 20 0 CCADLP C[C@H](C(=O)N(CC[NH+](C)C)C1CC1)[NH+]1CCOCC1 ZINC000412254808 389476800 /nfs/dbraw/zinc/47/68/00/389476800.db2.gz KDEZOONNHOSRKI-GFCCVEGCSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCNC(=O)c1ccco1 ZINC000422801099 389478449 /nfs/dbraw/zinc/47/84/49/389478449.db2.gz DOINITCATRZFFY-MNOVXSKESA-N 2 2 251.330 0.597 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1c1noc([C@H]2CC[NH+](C)C2)n1 ZINC000350049443 389481492 /nfs/dbraw/zinc/48/14/92/389481492.db2.gz SLLATHOIFWRNQZ-QWRGUYRKSA-N 2 2 265.361 0.407 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1c1noc([C@H]2CC[NH+](C)C2)n1 ZINC000350049443 389481494 /nfs/dbraw/zinc/48/14/94/389481494.db2.gz SLLATHOIFWRNQZ-QWRGUYRKSA-N 2 2 265.361 0.407 20 0 CCADLP CN1CC[NH+](C)C[C@H]1c1noc([C@H]2CC[N@H+](C)C2)n1 ZINC000350049443 389481497 /nfs/dbraw/zinc/48/14/97/389481497.db2.gz SLLATHOIFWRNQZ-QWRGUYRKSA-N 2 2 265.361 0.407 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[NH+]3CCC2CC3)nc[nH+]1 ZINC000413257833 389486659 /nfs/dbraw/zinc/48/66/59/389486659.db2.gz OMIFVPQVWMWQFZ-NSHDSACASA-N 2 2 277.372 0.554 20 0 CCADLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371295195 389430313 /nfs/dbraw/zinc/43/03/13/389430313.db2.gz PLUWHPQIDDIYAE-FRRDWIJNSA-N 2 2 269.389 0.258 20 0 CCADLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371295195 389430316 /nfs/dbraw/zinc/43/03/16/389430316.db2.gz PLUWHPQIDDIYAE-FRRDWIJNSA-N 2 2 269.389 0.258 20 0 CCADLP C[N@H+](CCNC(=O)C1([NH+]2CCOCC2)CCC1)C1CC1 ZINC000371701751 389436453 /nfs/dbraw/zinc/43/64/53/389436453.db2.gz AXLSEKNZPNXFSE-UHFFFAOYSA-N 2 2 281.400 0.452 20 0 CCADLP C[N@@H+](CCNC(=O)C1([NH+]2CCOCC2)CCC1)C1CC1 ZINC000371701751 389436454 /nfs/dbraw/zinc/43/64/54/389436454.db2.gz AXLSEKNZPNXFSE-UHFFFAOYSA-N 2 2 281.400 0.452 20 0 CCADLP C[C@@]1(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC[NH2+]C1 ZINC000165258217 389439100 /nfs/dbraw/zinc/43/91/00/389439100.db2.gz OWIWOPSADZXWSL-OAHLLOKOSA-N 2 2 276.384 0.878 20 0 CCADLP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2ccncc2)C[C@H]1C[NH3+] ZINC000422625466 389447807 /nfs/dbraw/zinc/44/78/07/389447807.db2.gz BTFWWMNIHPGYRC-JHJVBQTASA-N 2 2 276.384 0.747 20 0 CCADLP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2ccncc2)C[C@H]1C[NH3+] ZINC000422625466 389447810 /nfs/dbraw/zinc/44/78/10/389447810.db2.gz BTFWWMNIHPGYRC-JHJVBQTASA-N 2 2 276.384 0.747 20 0 CCADLP CNC(=O)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000271975184 389452884 /nfs/dbraw/zinc/45/28/84/389452884.db2.gz NPCSFLZCUWJLID-UHFFFAOYSA-N 2 2 251.334 0.230 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000334043059 389454419 /nfs/dbraw/zinc/45/44/19/389454419.db2.gz PAKHIZXKBURNDT-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP CCN(CCC[NH+](C)C)C(=O)[C@@H]1COCC[N@@H+]1CC ZINC000372726633 389456671 /nfs/dbraw/zinc/45/66/71/389456671.db2.gz NLWVZRPZDPXLDN-ZDUSSCGKSA-N 2 2 271.405 0.507 20 0 CCADLP CCN(CCC[NH+](C)C)C(=O)[C@@H]1COCC[N@H+]1CC ZINC000372726633 389456677 /nfs/dbraw/zinc/45/66/77/389456677.db2.gz NLWVZRPZDPXLDN-ZDUSSCGKSA-N 2 2 271.405 0.507 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@@H](CC(C)C)C[NH+](C)C ZINC000422721878 389459101 /nfs/dbraw/zinc/45/91/01/389459101.db2.gz WHDTXMOPHWLXPJ-BFHYXJOUSA-N 2 2 285.432 0.846 20 0 CCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[N@@H+]1CC(C)(C)O ZINC000275695676 389513151 /nfs/dbraw/zinc/51/31/51/389513151.db2.gz UOIBQBKNBUOSAA-CYBMUJFWSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[N@H+]1CC(C)(C)O ZINC000275695676 389513156 /nfs/dbraw/zinc/51/31/56/389513156.db2.gz UOIBQBKNBUOSAA-CYBMUJFWSA-N 2 2 294.399 0.577 20 0 CCADLP Cc1cc(CNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)cc(C)[nH+]1 ZINC000422977059 389514838 /nfs/dbraw/zinc/51/48/38/389514838.db2.gz WBKDNUQXHDDCJJ-CYBMUJFWSA-N 2 2 290.367 0.264 20 0 CCADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)[C@H]1CC[NH2+]C1 ZINC000422979435 389516055 /nfs/dbraw/zinc/51/60/55/389516055.db2.gz MSQIFBHWOHSGNU-QLFBSQMISA-N 3 2 269.433 0.667 20 0 CCADLP CC(C)[C@](C)(O)C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422981844 389516233 /nfs/dbraw/zinc/51/62/33/389516233.db2.gz UPJIJUNIAMYBFI-MGPQQGTHSA-N 2 2 256.390 0.750 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC000174207193 389516678 /nfs/dbraw/zinc/51/66/78/389516678.db2.gz PSEGCBJIPHXFIG-CYBMUJFWSA-N 2 2 281.400 0.799 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC000174207193 389516681 /nfs/dbraw/zinc/51/66/81/389516681.db2.gz PSEGCBJIPHXFIG-CYBMUJFWSA-N 2 2 281.400 0.799 20 0 CCADLP CC[C@H](C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)[NH+](C)C ZINC000413524920 389526644 /nfs/dbraw/zinc/52/66/44/389526644.db2.gz XNYWOZQYDYOKNW-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@@H](C)[NH+](CC)CC ZINC000423089192 389533236 /nfs/dbraw/zinc/53/32/36/389533236.db2.gz UOPCXPCTKSWQFG-JHJVBQTASA-N 2 2 271.405 0.600 20 0 CCADLP C1=CCN(CC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000423096941 389533708 /nfs/dbraw/zinc/53/37/08/389533708.db2.gz QBVRKTAWSVBWII-HUUCEWRRSA-N 2 2 265.401 0.605 20 0 CCADLP C1=CC[N@H+](CCN[C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000423096941 389533712 /nfs/dbraw/zinc/53/37/12/389533712.db2.gz QBVRKTAWSVBWII-HUUCEWRRSA-N 2 2 265.401 0.605 20 0 CCADLP C1=CC[N@@H+](CCN[C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000423096941 389533714 /nfs/dbraw/zinc/53/37/14/389533714.db2.gz QBVRKTAWSVBWII-HUUCEWRRSA-N 2 2 265.401 0.605 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C ZINC000423113856 389536644 /nfs/dbraw/zinc/53/66/44/389536644.db2.gz ZKIIKXZSHFUFGU-AAVRWANBSA-N 2 2 288.432 0.501 20 0 CCADLP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)C[NH+](C)C)CC[NH2+]CC1 ZINC000423110618 389536658 /nfs/dbraw/zinc/53/66/58/389536658.db2.gz PJFOVTBRDYTYMP-QWHCGFSZSA-N 3 2 285.432 0.848 20 0 CCADLP C[C@H]1C[C@H]([NH+](C)CCN2C(=O)CCC2=O)CC[N@@H+]1C ZINC000177059053 389570165 /nfs/dbraw/zinc/57/01/65/389570165.db2.gz AZURYMDGIOQGTI-NWDGAFQWSA-N 2 2 267.373 0.550 20 0 CCADLP C[C@H]1C[C@H]([NH+](C)CCN2C(=O)CCC2=O)CC[N@H+]1C ZINC000177059053 389570167 /nfs/dbraw/zinc/57/01/67/389570167.db2.gz AZURYMDGIOQGTI-NWDGAFQWSA-N 2 2 267.373 0.550 20 0 CCADLP C[C@H]1C[C@H]([N@H+](C)CCN2C(=O)CCC2=O)CC[NH+]1C ZINC000177059053 389570170 /nfs/dbraw/zinc/57/01/70/389570170.db2.gz AZURYMDGIOQGTI-NWDGAFQWSA-N 2 2 267.373 0.550 20 0 CCADLP C[C@H]1C[C@H]([N@@H+](C)CCN2C(=O)CCC2=O)CC[NH+]1C ZINC000177059053 389570171 /nfs/dbraw/zinc/57/01/71/389570171.db2.gz AZURYMDGIOQGTI-NWDGAFQWSA-N 2 2 267.373 0.550 20 0 CCADLP CCCC[N@H+](C)C[C@@H](C)N[C@H]1CC[NH2+][C@@H]1C(=O)OCC ZINC000423130440 389539812 /nfs/dbraw/zinc/53/98/12/389539812.db2.gz YIPABDBBCPRJGG-RDBSUJKOSA-N 2 2 285.432 0.990 20 0 CCADLP CCCC[N@@H+](C)C[C@@H](C)N[C@H]1CC[NH2+][C@@H]1C(=O)OCC ZINC000423130440 389539813 /nfs/dbraw/zinc/53/98/13/389539813.db2.gz YIPABDBBCPRJGG-RDBSUJKOSA-N 2 2 285.432 0.990 20 0 CCADLP OC[C@H](C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)C1CC1 ZINC000423141189 389542256 /nfs/dbraw/zinc/54/22/56/389542256.db2.gz ONGQAQWBGDAAAX-BFHYXJOUSA-N 2 2 254.374 0.362 20 0 CCADLP [NH3+]CC1CCC([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC000423150084 389544179 /nfs/dbraw/zinc/54/41/79/389544179.db2.gz YSODUWIUMUUVAF-NRXISQOPSA-N 3 2 269.433 0.940 20 0 CCADLP [NH3+]CC1CCC([NH2+]C[C@@H]2CCCC[N@H+]2CCO)CC1 ZINC000423150084 389544182 /nfs/dbraw/zinc/54/41/82/389544182.db2.gz YSODUWIUMUUVAF-NRXISQOPSA-N 3 2 269.433 0.940 20 0 CCADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC(=O)N2CCNC2=O)C1 ZINC000350808087 389545363 /nfs/dbraw/zinc/54/53/63/389545363.db2.gz WZWGNBCRGPBBEU-CYBMUJFWSA-N 2 2 294.399 0.202 20 0 CCADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC(=O)N2CCNC2=O)C1 ZINC000350808087 389545367 /nfs/dbraw/zinc/54/53/67/389545367.db2.gz WZWGNBCRGPBBEU-CYBMUJFWSA-N 2 2 294.399 0.202 20 0 CCADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000350808087 389545369 /nfs/dbraw/zinc/54/53/69/389545369.db2.gz WZWGNBCRGPBBEU-CYBMUJFWSA-N 2 2 294.399 0.202 20 0 CCADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000350808087 389545371 /nfs/dbraw/zinc/54/53/71/389545371.db2.gz WZWGNBCRGPBBEU-CYBMUJFWSA-N 2 2 294.399 0.202 20 0 CCADLP CCS(=O)(=O)CCC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423173811 389548127 /nfs/dbraw/zinc/54/81/27/389548127.db2.gz ADNZUXVNJLYTQP-NEPJUHHUSA-N 2 2 262.419 0.931 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCC1([NH3+])CCCCC1 ZINC000423181723 389548777 /nfs/dbraw/zinc/54/87/77/389548777.db2.gz PIYUENYDDKGFLR-NWDGAFQWSA-N 2 2 269.389 0.531 20 0 CCADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CC1([NH3+])CCCCC1 ZINC000423181723 389548779 /nfs/dbraw/zinc/54/87/79/389548779.db2.gz PIYUENYDDKGFLR-NWDGAFQWSA-N 2 2 269.389 0.531 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423178923 389549587 /nfs/dbraw/zinc/54/95/87/389549587.db2.gz LHIBUYZWXMQFTA-DZGCQCFKSA-N 3 2 266.433 0.354 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423178923 389549590 /nfs/dbraw/zinc/54/95/90/389549590.db2.gz LHIBUYZWXMQFTA-DZGCQCFKSA-N 3 2 266.433 0.354 20 0 CCADLP O=C1CNC(=O)N1CCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374201381 389557046 /nfs/dbraw/zinc/55/70/46/389557046.db2.gz VEZQHWLWJTXDFS-UHFFFAOYSA-N 2 2 291.355 0.531 20 0 CCADLP O=C(N1CCN(c2cccc[nH+]2)CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423297992 389560378 /nfs/dbraw/zinc/56/03/78/389560378.db2.gz MQSXRJDCUMWWEH-DOMZBBRYSA-N 2 2 272.352 0.482 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000422876709 389497151 /nfs/dbraw/zinc/49/71/51/389497151.db2.gz GSQKXQLEGLKCEF-ZOBORPQBSA-N 2 2 281.400 0.496 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000422876709 389497155 /nfs/dbraw/zinc/49/71/55/389497155.db2.gz GSQKXQLEGLKCEF-ZOBORPQBSA-N 2 2 281.400 0.496 20 0 CCADLP Cc1cc(C[NH2+]C[C@@H](C)C[NH+]2CCOCC2)nn1C ZINC000414357374 389612113 /nfs/dbraw/zinc/61/21/13/389612113.db2.gz IZHTUCCTQNDFHM-GFCCVEGCSA-N 2 2 266.389 0.786 20 0 CCADLP C[C@@H]1C[C@H](C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)CC[NH2+]1 ZINC000414707180 389629695 /nfs/dbraw/zinc/62/96/95/389629695.db2.gz YLPQRXMCOLKGBN-ZIAGYGMSSA-N 3 2 277.416 0.915 20 0 CCADLP Cc1cc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])nn1C ZINC000414757740 389635673 /nfs/dbraw/zinc/63/56/73/389635673.db2.gz BLTHQIACLGLGQS-CQSZACIVSA-N 2 2 293.415 0.548 20 0 CCADLP Cc1cc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])nn1C ZINC000414757740 389635677 /nfs/dbraw/zinc/63/56/77/389635677.db2.gz BLTHQIACLGLGQS-CQSZACIVSA-N 2 2 293.415 0.548 20 0 CCADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000414970985 389648815 /nfs/dbraw/zinc/64/88/15/389648815.db2.gz HJLVCENVEGNTNA-ZDUSSCGKSA-N 2 2 291.424 0.927 20 0 CCADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000414970985 389648820 /nfs/dbraw/zinc/64/88/20/389648820.db2.gz HJLVCENVEGNTNA-ZDUSSCGKSA-N 3 2 291.424 0.927 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423465954 389590966 /nfs/dbraw/zinc/59/09/66/389590966.db2.gz AFRKHLLYRVZEEZ-MCIONIFRSA-N 3 2 255.406 0.875 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000423479284 389592856 /nfs/dbraw/zinc/59/28/56/389592856.db2.gz NKVSKAZUKAFJDN-OLZOCXBDSA-N 2 2 269.389 0.341 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000423479284 389592857 /nfs/dbraw/zinc/59/28/57/389592857.db2.gz NKVSKAZUKAFJDN-OLZOCXBDSA-N 2 2 269.389 0.341 20 0 CCADLP CN(C(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)c1nccs1 ZINC000351493142 389593521 /nfs/dbraw/zinc/59/35/21/389593521.db2.gz LYZVKEAXGHZFDS-DCAQKATOSA-N 2 2 280.397 0.775 20 0 CCADLP CN(C(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)c1nccs1 ZINC000351493142 389593526 /nfs/dbraw/zinc/59/35/26/389593526.db2.gz LYZVKEAXGHZFDS-DCAQKATOSA-N 2 2 280.397 0.775 20 0 CCADLP COC(=O)c1coc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCN2C)c1 ZINC000423498151 389595288 /nfs/dbraw/zinc/59/52/88/389595288.db2.gz BLRJEDNNLSUCLY-ZYHUDNBSSA-N 2 2 281.356 0.620 20 0 CCADLP COCC[N@@H+]1CC[C@@H](N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000423501724 389596790 /nfs/dbraw/zinc/59/67/90/389596790.db2.gz LNHGMBCWODKVLA-KGLIPLIRSA-N 2 2 255.406 0.814 20 0 CCADLP COCC[N@H+]1CC[C@@H](N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000423501724 389596791 /nfs/dbraw/zinc/59/67/91/389596791.db2.gz LNHGMBCWODKVLA-KGLIPLIRSA-N 2 2 255.406 0.814 20 0 CCADLP Cc1cc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)on1 ZINC000351502024 389596876 /nfs/dbraw/zinc/59/68/76/389596876.db2.gz YTQZMQIRDKVATH-BJDJZHNGSA-N 2 2 278.356 0.979 20 0 CCADLP Cc1cc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)on1 ZINC000351502024 389596879 /nfs/dbraw/zinc/59/68/79/389596879.db2.gz YTQZMQIRDKVATH-BJDJZHNGSA-N 2 2 278.356 0.979 20 0 CCADLP C[NH2+]CCN(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000423524187 389600000 /nfs/dbraw/zinc/60/00/00/389600000.db2.gz SRPWHAKYTNCUSI-ZDUSSCGKSA-N 2 2 269.389 0.308 20 0 CCADLP C[NH2+]CCN(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000423524187 389600004 /nfs/dbraw/zinc/60/00/04/389600004.db2.gz SRPWHAKYTNCUSI-ZDUSSCGKSA-N 2 2 269.389 0.308 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cocn1 ZINC000428872072 389725200 /nfs/dbraw/zinc/72/52/00/389725200.db2.gz LDHIFLZXVKRLOW-LLVKDONJSA-N 2 2 252.318 0.104 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cocn1 ZINC000428872072 389725202 /nfs/dbraw/zinc/72/52/02/389725202.db2.gz LDHIFLZXVKRLOW-LLVKDONJSA-N 2 2 252.318 0.104 20 0 CCADLP CCC[NH+]1CCC([NH2+]C[C@H]2C[NH2+]CCN2C)CC1 ZINC000414968946 389649166 /nfs/dbraw/zinc/64/91/66/389649166.db2.gz DJMZSYJIBDASMW-CQSZACIVSA-N 3 2 254.422 0.354 20 0 CCADLP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2C[NH2+]CCN2C)o1 ZINC000414975229 389650378 /nfs/dbraw/zinc/65/03/78/389650378.db2.gz LOSQBOAENFBDFB-CYBMUJFWSA-N 2 2 289.383 0.971 20 0 CCADLP C[N@@H+](Cc1cccc2c1OCCCO2)C[C@@H](O)C[NH3+] ZINC000415055109 389654750 /nfs/dbraw/zinc/65/47/50/389654750.db2.gz MKLQNUQIVBIHNH-LBPRGKRZSA-N 2 2 266.341 0.599 20 0 CCADLP C[N@H+](Cc1cccc2c1OCCCO2)C[C@@H](O)C[NH3+] ZINC000415055109 389654754 /nfs/dbraw/zinc/65/47/54/389654754.db2.gz MKLQNUQIVBIHNH-LBPRGKRZSA-N 2 2 266.341 0.599 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]C1(C(N)=O)CCCCC1)C1CC1 ZINC000351721176 389667054 /nfs/dbraw/zinc/66/70/54/389667054.db2.gz UJZBDPLMSYEDGS-LBPRGKRZSA-N 2 2 269.389 0.219 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]C1(C(N)=O)CCCCC1)C1CC1 ZINC000351721176 389667056 /nfs/dbraw/zinc/66/70/56/389667056.db2.gz UJZBDPLMSYEDGS-LBPRGKRZSA-N 2 2 269.389 0.219 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000182298945 389705051 /nfs/dbraw/zinc/70/50/51/389705051.db2.gz VNPRATJANLLVOO-CYBMUJFWSA-N 2 2 299.415 0.424 20 0 CCADLP CC(C)[C@@H](C(=O)N1CC[N@H+](CCO)[C@@H](C)C1)[NH+](C)C ZINC000428533715 389705091 /nfs/dbraw/zinc/70/50/91/389705091.db2.gz NPGBGGNBUNCYHS-STQMWFEESA-N 2 2 271.405 0.098 20 0 CCADLP CC(C)[C@@H](C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1)[NH+](C)C ZINC000428533715 389705093 /nfs/dbraw/zinc/70/50/93/389705093.db2.gz NPGBGGNBUNCYHS-STQMWFEESA-N 2 2 271.405 0.098 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCN(c2cccnn2)CC1 ZINC000428566968 389707324 /nfs/dbraw/zinc/70/73/24/389707324.db2.gz QDUDBNAKCHTOFV-TZMCWYRMSA-N 2 2 275.400 0.985 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCN(c2cccnn2)CC1 ZINC000428566968 389707327 /nfs/dbraw/zinc/70/73/27/389707327.db2.gz QDUDBNAKCHTOFV-TZMCWYRMSA-N 2 2 275.400 0.985 20 0 CCADLP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000352103997 389753384 /nfs/dbraw/zinc/75/33/84/389753384.db2.gz AOHBNZSZEWOVMX-KBPBESRZSA-N 2 2 285.432 0.990 20 0 CCADLP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)NC2CCOCC2)CC1 ZINC000429527341 389759122 /nfs/dbraw/zinc/75/91/22/389759122.db2.gz JPYKFHAKTZPYFR-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)NC2CCOCC2)CC1 ZINC000429527341 389759124 /nfs/dbraw/zinc/75/91/24/389759124.db2.gz JPYKFHAKTZPYFR-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]CCN1CCSCC1)C1CC1 ZINC000381385014 389764868 /nfs/dbraw/zinc/76/48/68/389764868.db2.gz SREWCBNPKNHIJZ-CYBMUJFWSA-N 2 2 273.446 0.080 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]CCN1CCSCC1)C1CC1 ZINC000381385014 389764870 /nfs/dbraw/zinc/76/48/70/389764870.db2.gz SREWCBNPKNHIJZ-CYBMUJFWSA-N 2 2 273.446 0.080 20 0 CCADLP C[N@H+](C[C@H](O)CNCC[NH+]1CCSCC1)C1CC1 ZINC000381385014 389764872 /nfs/dbraw/zinc/76/48/72/389764872.db2.gz SREWCBNPKNHIJZ-CYBMUJFWSA-N 2 2 273.446 0.080 20 0 CCADLP C[N@@H+](C[C@H](O)CNCC[NH+]1CCSCC1)C1CC1 ZINC000381385014 389764875 /nfs/dbraw/zinc/76/48/75/389764875.db2.gz SREWCBNPKNHIJZ-CYBMUJFWSA-N 2 2 273.446 0.080 20 0 CCADLP CC[NH2+]CCNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000416818159 389773431 /nfs/dbraw/zinc/77/34/31/389773431.db2.gz KMVVIBTUUSQCPR-UHFFFAOYSA-N 2 2 272.393 0.006 20 0 CCADLP [NH3+][C@@H](CNC(=O)NCCn1cc[nH+]c1)c1ccccc1 ZINC000416859898 389776735 /nfs/dbraw/zinc/77/67/35/389776735.db2.gz UYKJRTSNPBQILQ-ZDUSSCGKSA-N 2 2 273.340 0.882 20 0 CCADLP C[C@@H]1C[C@H](C)[N@H+](CC(=O)NCC(F)(F)F)C[C@@H]1C[NH3+] ZINC000397428215 389777967 /nfs/dbraw/zinc/77/79/67/389777967.db2.gz YOTUCYCSCKDPEV-UTLUCORTSA-N 2 2 281.322 0.970 20 0 CCADLP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)NCC(F)(F)F)C[C@@H]1C[NH3+] ZINC000397428215 389777969 /nfs/dbraw/zinc/77/79/69/389777969.db2.gz YOTUCYCSCKDPEV-UTLUCORTSA-N 2 2 281.322 0.970 20 0 CCADLP CCNC(=O)[C@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352256565 389779754 /nfs/dbraw/zinc/77/97/54/389779754.db2.gz JSZXMXIHOCCEAU-VIFPVBQESA-N 2 2 270.402 0.819 20 0 CCADLP O=C(NCCc1cn2ccccc2[nH+]1)N[C@@H]1CC[NH2+]C1 ZINC000416939540 389781967 /nfs/dbraw/zinc/78/19/67/389781967.db2.gz CWUCXKNZCCGIME-LLVKDONJSA-N 2 2 273.340 0.538 20 0 CCADLP CC(C)[C@@H](C(=O)N[C@H](C)C[NH+]1CCOCC1)[C@H](C)[NH3+] ZINC000399379216 389790609 /nfs/dbraw/zinc/79/06/09/389790609.db2.gz HYYLYFLTTWDCDC-FRRDWIJNSA-N 2 2 271.405 0.443 20 0 CCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000417027299 389790920 /nfs/dbraw/zinc/79/09/20/389790920.db2.gz MXTWLEBEPZONJS-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CN(CC[NH+](C)C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000430262547 389791184 /nfs/dbraw/zinc/79/11/84/389791184.db2.gz WEKHVLLUDXTWMI-LLVKDONJSA-N 2 2 265.361 0.401 20 0 CCADLP CC(C)[C@@H](C(=O)N(C)Cc1[nH+]ccn1C)[C@H](C)[NH3+] ZINC000399486151 389792131 /nfs/dbraw/zinc/79/21/31/389792131.db2.gz YZQYOHNTJXTFIU-CMPLNLGQSA-N 2 2 252.362 0.998 20 0 CCADLP COCC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H]1CCOC1 ZINC000352355363 389796366 /nfs/dbraw/zinc/79/63/66/389796366.db2.gz BYFDVXWGJVFBIR-UONOGXRCSA-N 2 2 272.389 0.179 20 0 CCADLP COCC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@H]1CCOC1 ZINC000352355363 389796371 /nfs/dbraw/zinc/79/63/71/389796371.db2.gz BYFDVXWGJVFBIR-UONOGXRCSA-N 2 2 272.389 0.179 20 0 CCADLP COCC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@H]1CCOC1 ZINC000352355363 389796372 /nfs/dbraw/zinc/79/63/72/389796372.db2.gz BYFDVXWGJVFBIR-UONOGXRCSA-N 2 2 272.389 0.179 20 0 CCADLP CCC(CC)(C[NH3+])NC(=O)NCC[NH+]1CCOCC1 ZINC000416432577 389742602 /nfs/dbraw/zinc/74/26/02/389742602.db2.gz LCNWVEKUSCEWFT-UHFFFAOYSA-N 2 2 272.393 0.135 20 0 CCADLP C[C@@H]1CCCN(C(=O)NCC[NH+]2CCOCC2)[C@@H]1C[NH3+] ZINC000416432606 389742763 /nfs/dbraw/zinc/74/27/63/389742763.db2.gz LHYLDPGAXIWBQK-CHWSQXEVSA-N 2 2 284.404 0.087 20 0 CCADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC000429258974 389747280 /nfs/dbraw/zinc/74/72/80/389747280.db2.gz WZFKOSKOWYYZNB-UHFFFAOYSA-N 2 2 292.387 0.780 20 0 CCADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC000429258974 389747283 /nfs/dbraw/zinc/74/72/83/389747283.db2.gz WZFKOSKOWYYZNB-UHFFFAOYSA-N 2 2 292.387 0.780 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)n(C)n1 ZINC000430564961 389807272 /nfs/dbraw/zinc/80/72/72/389807272.db2.gz NUNUPZXNIYSDTO-GFCCVEGCSA-N 2 2 281.404 0.972 20 0 CCADLP Cc1cc(NC(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C)n(C)n1 ZINC000430564961 389807276 /nfs/dbraw/zinc/80/72/76/389807276.db2.gz NUNUPZXNIYSDTO-GFCCVEGCSA-N 2 2 281.404 0.972 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000430568562 389808391 /nfs/dbraw/zinc/80/83/91/389808391.db2.gz HMMHFSOLYWWHMS-UONOGXRCSA-N 3 2 296.459 0.646 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000430568562 389808393 /nfs/dbraw/zinc/80/83/93/389808393.db2.gz HMMHFSOLYWWHMS-UONOGXRCSA-N 3 2 296.459 0.646 20 0 CCADLP C[C@H](C[N@H+](C)CC(C)(C)C[NH3+])CS(C)(=O)=O ZINC000430577424 389809136 /nfs/dbraw/zinc/80/91/36/389809136.db2.gz NOZDHPNFFHKUQW-SNVBAGLBSA-N 2 2 250.408 0.584 20 0 CCADLP C[C@H](C[N@@H+](C)CC(C)(C)C[NH3+])CS(C)(=O)=O ZINC000430577424 389809138 /nfs/dbraw/zinc/80/91/38/389809138.db2.gz NOZDHPNFFHKUQW-SNVBAGLBSA-N 2 2 250.408 0.584 20 0 CCADLP CCOCCNC(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430579254 389809240 /nfs/dbraw/zinc/80/92/40/389809240.db2.gz BYGBAYXCESYSIH-LBPRGKRZSA-N 2 2 259.394 0.444 20 0 CCADLP CCOCCNC(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430579254 389809242 /nfs/dbraw/zinc/80/92/42/389809242.db2.gz BYGBAYXCESYSIH-LBPRGKRZSA-N 2 2 259.394 0.444 20 0 CCADLP C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430598426 389811252 /nfs/dbraw/zinc/81/12/52/389811252.db2.gz DANKCHDQWCJUPL-WDEREUQCSA-N 2 2 263.345 0.474 20 0 CCADLP C[C@@H](C(=O)Nc1ncccn1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430598426 389811253 /nfs/dbraw/zinc/81/12/53/389811253.db2.gz DANKCHDQWCJUPL-WDEREUQCSA-N 2 2 263.345 0.474 20 0 CCADLP C[NH2+][C@H]1CC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000430625472 389814004 /nfs/dbraw/zinc/81/40/04/389814004.db2.gz KTSFLOYKASEOLN-QMMMGPOBSA-N 2 2 296.293 0.058 20 0 CCADLP C[NH2+][C@H]1CC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000430625472 389814008 /nfs/dbraw/zinc/81/40/08/389814008.db2.gz KTSFLOYKASEOLN-QMMMGPOBSA-N 2 2 296.293 0.058 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430628201 389814074 /nfs/dbraw/zinc/81/40/74/389814074.db2.gz UVHAEOARMQKAJL-GFCCVEGCSA-N 2 2 262.419 0.870 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430628201 389814078 /nfs/dbraw/zinc/81/40/78/389814078.db2.gz UVHAEOARMQKAJL-GFCCVEGCSA-N 2 2 262.419 0.870 20 0 CCADLP COc1ccccc1[C@@H]([NH3+])C(=O)NCCc1[nH]cc[nH+]1 ZINC000430730852 389820800 /nfs/dbraw/zinc/82/08/00/389820800.db2.gz TWDPMGDVMQPHSK-CYBMUJFWSA-N 2 2 274.324 0.777 20 0 CCADLP CC(C)N(C)C(=O)[C@H](C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352525608 389825713 /nfs/dbraw/zinc/82/57/13/389825713.db2.gz HNBGNZYJPZKQQU-UONOGXRCSA-N 2 2 282.432 0.221 20 0 CCADLP CC(C)(C[NH3+])C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000430877343 389830418 /nfs/dbraw/zinc/83/04/18/389830418.db2.gz WYZJHOCGFYXENM-UHFFFAOYSA-N 2 2 295.387 0.139 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000430877933 389830523 /nfs/dbraw/zinc/83/05/23/389830523.db2.gz GMVDOAHYLWULFL-BARDWOONSA-N 2 2 295.427 0.744 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000430877933 389830526 /nfs/dbraw/zinc/83/05/26/389830526.db2.gz GMVDOAHYLWULFL-BARDWOONSA-N 2 2 295.427 0.744 20 0 CCADLP Cc1cccc(OCCNC(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000430935284 389837001 /nfs/dbraw/zinc/83/70/01/389837001.db2.gz SPOJCVFOVIFDBQ-CQSZACIVSA-N 2 2 291.395 0.771 20 0 CCADLP Cc1cccc(OCCNC(=O)C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000430935284 389837005 /nfs/dbraw/zinc/83/70/05/389837005.db2.gz SPOJCVFOVIFDBQ-CQSZACIVSA-N 2 2 291.395 0.771 20 0 CCADLP NC(=O)[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430937056 389837515 /nfs/dbraw/zinc/83/75/15/389837515.db2.gz YVJCARUUXMIZSF-JOYOIKCWSA-N 2 2 251.305 0.633 20 0 CCADLP NC(=O)[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430937056 389837517 /nfs/dbraw/zinc/83/75/17/389837517.db2.gz YVJCARUUXMIZSF-JOYOIKCWSA-N 2 2 251.305 0.633 20 0 CCADLP CCOCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000430937668 389837556 /nfs/dbraw/zinc/83/75/56/389837556.db2.gz DJHRXTJDJQTOLH-OLZOCXBDSA-N 2 2 271.405 0.459 20 0 CCADLP CCOCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000430937668 389837558 /nfs/dbraw/zinc/83/75/58/389837558.db2.gz DJHRXTJDJQTOLH-OLZOCXBDSA-N 2 2 271.405 0.459 20 0 CCADLP CCOCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000430937667 389837696 /nfs/dbraw/zinc/83/76/96/389837696.db2.gz DJHRXTJDJQTOLH-CHWSQXEVSA-N 2 2 271.405 0.459 20 0 CCADLP CCOCCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000430937667 389837700 /nfs/dbraw/zinc/83/77/00/389837700.db2.gz DJHRXTJDJQTOLH-CHWSQXEVSA-N 2 2 271.405 0.459 20 0 CCADLP C[C@H]1C[N@H+](CCNS(=O)(=O)c2ccccc2)CC[C@@H]1[NH3+] ZINC000430960051 389840650 /nfs/dbraw/zinc/84/06/50/389840650.db2.gz GMZNADPMQISVGV-JSGCOSHPSA-N 2 2 297.424 0.634 20 0 CCADLP C[C@H]1C[N@@H+](CCNS(=O)(=O)c2ccccc2)CC[C@@H]1[NH3+] ZINC000430960051 389840653 /nfs/dbraw/zinc/84/06/53/389840653.db2.gz GMZNADPMQISVGV-JSGCOSHPSA-N 2 2 297.424 0.634 20 0 CCADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430964074 389841186 /nfs/dbraw/zinc/84/11/86/389841186.db2.gz XMXGIQZSFYUQQE-UPJWGTAASA-N 2 2 296.415 0.672 20 0 CCADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430964074 389841189 /nfs/dbraw/zinc/84/11/89/389841189.db2.gz XMXGIQZSFYUQQE-UPJWGTAASA-N 2 2 296.415 0.672 20 0 CCADLP Cc1cc(N2CC[C@H]([N@H+]3CC[C@H]([NH3+])[C@H](C)C3)C2=O)n(C)n1 ZINC000430960580 389841410 /nfs/dbraw/zinc/84/14/10/389841410.db2.gz KGCVXEXCDKEWSW-WXHSDQCUSA-N 2 2 291.399 0.503 20 0 CCADLP Cc1cc(N2CC[C@H]([N@@H+]3CC[C@H]([NH3+])[C@H](C)C3)C2=O)n(C)n1 ZINC000430960580 389841413 /nfs/dbraw/zinc/84/14/13/389841413.db2.gz KGCVXEXCDKEWSW-WXHSDQCUSA-N 2 2 291.399 0.503 20 0 CCADLP Cn1cc(C[NH+]2CCN(C(=O)C[C@@H]3CCC[NH2+]3)CC2)cn1 ZINC000431005718 389844417 /nfs/dbraw/zinc/84/44/17/389844417.db2.gz WJJWZBWHBSEDCL-AWEZNQCLSA-N 2 2 291.399 0.206 20 0 CCADLP COCC[NH2+]CC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000431065284 389848781 /nfs/dbraw/zinc/84/87/81/389848781.db2.gz MXLWXUXWSARKKP-UHFFFAOYSA-N 2 2 266.345 0.283 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)C(C)(C)n1cncn1 ZINC000353427595 389850347 /nfs/dbraw/zinc/85/03/47/389850347.db2.gz OXXOUWGNIZZXCN-QWHCGFSZSA-N 2 2 280.420 0.237 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)C(C)(C)n1cncn1 ZINC000353427595 389850353 /nfs/dbraw/zinc/85/03/53/389850353.db2.gz OXXOUWGNIZZXCN-QWHCGFSZSA-N 2 2 280.420 0.237 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000353463023 389851749 /nfs/dbraw/zinc/85/17/49/389851749.db2.gz UZJHZGSDMXAOIW-NWDGAFQWSA-N 2 2 262.357 0.704 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000418120799 389869701 /nfs/dbraw/zinc/86/97/01/389869701.db2.gz WEXARMYCTQNHBV-LBPRGKRZSA-N 2 2 284.404 0.134 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000447443612 389955334 /nfs/dbraw/zinc/95/53/34/389955334.db2.gz VJJGRBRXCQRNMA-LLVKDONJSA-N 2 2 296.758 0.968 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@](C)(O)C2)CC1 ZINC000179718853 260064767 /nfs/dbraw/zinc/06/47/67/260064767.db2.gz JCQBQUHJNHNBIS-UKRRQHHQSA-N 2 2 283.416 0.386 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@](C)(O)C2)CC1 ZINC000179718853 260064768 /nfs/dbraw/zinc/06/47/68/260064768.db2.gz JCQBQUHJNHNBIS-UKRRQHHQSA-N 2 2 283.416 0.386 20 0 CCADLP CCCCNc1cc(N2CC[NH2+][C@@H](C)C2)nc(N)[nH+]1 ZINC000420211551 389966386 /nfs/dbraw/zinc/96/63/86/389966386.db2.gz SSDOZAZTNSBYRY-JTQLQIEISA-N 2 2 264.377 0.899 20 0 CCADLP C[C@@H](O)CNc1cc(NCC[C@H]2CCC[NH2+]2)[nH+]cn1 ZINC000420240788 389971269 /nfs/dbraw/zinc/97/12/69/389971269.db2.gz RHHLNZWNXFJWRM-GHMZBOCLSA-N 2 2 265.361 0.245 20 0 CCADLP C[C@@H](O)CNc1cc(NCC[C@H]2CCC[NH2+]2)nc[nH+]1 ZINC000420240788 389971270 /nfs/dbraw/zinc/97/12/70/389971270.db2.gz RHHLNZWNXFJWRM-GHMZBOCLSA-N 2 2 265.361 0.245 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCOCC2CC2)CC1 ZINC000434324188 389929856 /nfs/dbraw/zinc/92/98/56/389929856.db2.gz MYVLUQMFZOAJDX-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP COC[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)C1CCOCC1 ZINC000446821214 389941661 /nfs/dbraw/zinc/94/16/61/389941661.db2.gz MMFINSJMNLYNAV-CABCVRRESA-N 2 2 285.432 0.263 20 0 CCADLP COC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)C1CCOCC1 ZINC000446821214 389941662 /nfs/dbraw/zinc/94/16/62/389941662.db2.gz MMFINSJMNLYNAV-CABCVRRESA-N 2 2 285.432 0.263 20 0 CCADLP COCCO[C@H]1C[C@H](CO)C[N@H+](CCCn2cc[nH+]c2)C1 ZINC000447398325 389953962 /nfs/dbraw/zinc/95/39/62/389953962.db2.gz RBHRXYMEXZQDGO-GJZGRUSLSA-N 2 2 297.399 0.619 20 0 CCADLP COCCO[C@H]1C[C@H](CO)C[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000447398325 389953964 /nfs/dbraw/zinc/95/39/64/389953964.db2.gz RBHRXYMEXZQDGO-GJZGRUSLSA-N 2 2 297.399 0.619 20 0 CCADLP CO[C@@H]1CC[N@H+](CCC(=O)OC(C)C)[C@@H](C[NH3+])C1 ZINC000420315721 389982893 /nfs/dbraw/zinc/98/28/93/389982893.db2.gz XHJOEUKLVKAXNT-VXGBXAGGSA-N 2 2 258.362 0.766 20 0 CCADLP CO[C@@H]1CC[N@@H+](CCC(=O)OC(C)C)[C@@H](C[NH3+])C1 ZINC000420315721 389982894 /nfs/dbraw/zinc/98/28/94/389982894.db2.gz XHJOEUKLVKAXNT-VXGBXAGGSA-N 2 2 258.362 0.766 20 0 CCADLP CCOC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328908 389983946 /nfs/dbraw/zinc/98/39/46/389983946.db2.gz NLHPHLRTZNTHME-NWDGAFQWSA-N 2 2 270.373 0.625 20 0 CCADLP CCOC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328908 389983947 /nfs/dbraw/zinc/98/39/47/389983947.db2.gz NLHPHLRTZNTHME-NWDGAFQWSA-N 2 2 270.373 0.625 20 0 CCADLP [NH3+]CCOCC[NH+]1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000436937896 389987592 /nfs/dbraw/zinc/98/75/92/389987592.db2.gz HFJWGMHBQLWNDI-UHFFFAOYSA-N 2 2 293.367 0.125 20 0 CCADLP CCC[C@H](NC(=O)C[N@H+](C)C[C@H](O)C[NH3+])c1ccccc1 ZINC000420349017 389987641 /nfs/dbraw/zinc/98/76/41/389987641.db2.gz BMEZOBGDNXLBDK-CABCVRRESA-N 2 2 293.411 0.895 20 0 CCADLP CCC[C@H](NC(=O)C[N@@H+](C)C[C@H](O)C[NH3+])c1ccccc1 ZINC000420349017 389987643 /nfs/dbraw/zinc/98/76/43/389987643.db2.gz BMEZOBGDNXLBDK-CABCVRRESA-N 2 2 293.411 0.895 20 0 CCADLP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420349358 389987821 /nfs/dbraw/zinc/98/78/21/389987821.db2.gz CQGZEDROJYDGTF-UPJWGTAASA-N 2 2 271.405 0.417 20 0 CCADLP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420349358 389987822 /nfs/dbraw/zinc/98/78/22/389987822.db2.gz CQGZEDROJYDGTF-UPJWGTAASA-N 2 2 271.405 0.417 20 0 CCADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000420355048 389990176 /nfs/dbraw/zinc/99/01/76/389990176.db2.gz PKWXIFLHZXOKEI-SMDDNHRTSA-N 2 2 297.374 0.597 20 0 CCADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420355048 389990177 /nfs/dbraw/zinc/99/01/77/389990177.db2.gz PKWXIFLHZXOKEI-SMDDNHRTSA-N 2 2 297.374 0.597 20 0 CCADLP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420357152 389990734 /nfs/dbraw/zinc/99/07/34/389990734.db2.gz RVYMCUNIRZEFTH-OCCSQVGLSA-N 2 2 295.383 0.664 20 0 CCADLP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420357152 389990736 /nfs/dbraw/zinc/99/07/36/389990736.db2.gz RVYMCUNIRZEFTH-OCCSQVGLSA-N 2 2 295.383 0.664 20 0 CCADLP C[C@@H](NC(=O)C[N@H+](C)C[C@@H](O)C[NH3+])c1ccc(Cl)cc1 ZINC000420361473 389991942 /nfs/dbraw/zinc/99/19/42/389991942.db2.gz XXOBIJPSBJKYNI-MFKMUULPSA-N 2 2 299.802 0.769 20 0 CCADLP C[C@@H](NC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])c1ccc(Cl)cc1 ZINC000420361473 389991943 /nfs/dbraw/zinc/99/19/43/389991943.db2.gz XXOBIJPSBJKYNI-MFKMUULPSA-N 2 2 299.802 0.769 20 0 CCADLP CC(C)CN(C(=O)C[N@H+](C)C[C@H](O)C[NH3+])C(C)C ZINC000420362917 389992102 /nfs/dbraw/zinc/99/21/02/389992102.db2.gz ZUZHZQGVNIADIP-GFCCVEGCSA-N 2 2 259.394 0.131 20 0 CCADLP CC(C)CN(C(=O)C[N@@H+](C)C[C@H](O)C[NH3+])C(C)C ZINC000420362917 389992104 /nfs/dbraw/zinc/99/21/04/389992104.db2.gz ZUZHZQGVNIADIP-GFCCVEGCSA-N 2 2 259.394 0.131 20 0 CCADLP COC(=O)COC[C@H](C)[NH2+][C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000449191972 389992664 /nfs/dbraw/zinc/99/26/64/389992664.db2.gz PXESGHJOPKHOEA-AVGNSLFASA-N 2 2 272.389 0.883 20 0 CCADLP COC(=O)COC[C@H](C)[NH2+][C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000449191972 389992667 /nfs/dbraw/zinc/99/26/67/389992667.db2.gz PXESGHJOPKHOEA-AVGNSLFASA-N 2 2 272.389 0.883 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000449442142 389993164 /nfs/dbraw/zinc/99/31/64/389993164.db2.gz JWIDNYKYBJLRSY-WZRBSPASSA-N 2 2 289.445 0.387 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000449442142 389993166 /nfs/dbraw/zinc/99/31/66/389993166.db2.gz JWIDNYKYBJLRSY-WZRBSPASSA-N 2 2 289.445 0.387 20 0 CCADLP CCOC(=O)[C@@H](CC)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420369729 389993573 /nfs/dbraw/zinc/99/35/73/389993573.db2.gz BZWZNSGPFUCRPK-CHWSQXEVSA-N 2 2 295.387 0.715 20 0 CCADLP CCOC(=O)[C@@H](CC)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420369729 389993574 /nfs/dbraw/zinc/99/35/74/389993574.db2.gz BZWZNSGPFUCRPK-CHWSQXEVSA-N 2 2 295.387 0.715 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420370234 389993833 /nfs/dbraw/zinc/99/38/33/389993833.db2.gz OURUJYQLFCWWOI-GMXVVIOVSA-N 2 2 284.404 0.444 20 0 CCADLP CC[C@H](F)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000440789911 390044824 /nfs/dbraw/zinc/04/48/24/390044824.db2.gz CMIHAEQCBPCXKP-QWHCGFSZSA-N 2 2 271.380 0.973 20 0 CCADLP CC[C@H](F)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000440789911 390044826 /nfs/dbraw/zinc/04/48/26/390044826.db2.gz CMIHAEQCBPCXKP-QWHCGFSZSA-N 2 2 271.380 0.973 20 0 CCADLP COCCCNC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420376983 389994230 /nfs/dbraw/zinc/99/42/30/389994230.db2.gz VUWWSLGPNSZHCA-NQBHXWOUSA-N 2 2 257.378 0.115 20 0 CCADLP C[NH2+]CCC[N@H+](C)CC(=O)NCCOc1cccc(F)c1 ZINC000420384944 389995176 /nfs/dbraw/zinc/99/51/76/389995176.db2.gz FTWFLVJIBDYYAO-UHFFFAOYSA-N 2 2 297.374 0.862 20 0 CCADLP C[NH2+]CCC[N@@H+](C)CC(=O)NCCOc1cccc(F)c1 ZINC000420384944 389995178 /nfs/dbraw/zinc/99/51/78/389995178.db2.gz FTWFLVJIBDYYAO-UHFFFAOYSA-N 2 2 297.374 0.862 20 0 CCADLP C[C@@H](C(=O)NCc1ccccc1)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420391543 389995959 /nfs/dbraw/zinc/99/59/59/389995959.db2.gz OMFHPHZBDLQMSL-ZFWWWQNUSA-N 2 2 291.395 0.741 20 0 CCADLP C[C@@H](C(=O)NCc1ccccc1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420391543 389995961 /nfs/dbraw/zinc/99/59/61/389995961.db2.gz OMFHPHZBDLQMSL-ZFWWWQNUSA-N 2 2 291.395 0.741 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccncc2)C[C@@H]1C[NH3+] ZINC000420390668 389996115 /nfs/dbraw/zinc/99/61/15/389996115.db2.gz ACVOZCQIENIAHU-NEPJUHHUSA-N 2 2 262.357 0.359 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccncc2)C[C@@H]1C[NH3+] ZINC000420390668 389996117 /nfs/dbraw/zinc/99/61/17/389996117.db2.gz ACVOZCQIENIAHU-NEPJUHHUSA-N 2 2 262.357 0.359 20 0 CCADLP COCC[N@H+](C)CC[NH2+][C@@H](C)C1(OC)CCOCC1 ZINC000453098449 390009036 /nfs/dbraw/zinc/00/90/36/390009036.db2.gz UTNXYXFVJNHVGY-ZDUSSCGKSA-N 2 2 274.405 0.738 20 0 CCADLP COCC[N@@H+](C)CC[NH2+][C@@H](C)C1(OC)CCOCC1 ZINC000453098449 390009037 /nfs/dbraw/zinc/00/90/37/390009037.db2.gz UTNXYXFVJNHVGY-ZDUSSCGKSA-N 2 2 274.405 0.738 20 0 CCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000439972170 390029101 /nfs/dbraw/zinc/02/91/01/390029101.db2.gz MXTCUEQDMKYPJL-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP CC(C)[C@H]1CN([C@H](C)C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000487949036 390090537 /nfs/dbraw/zinc/09/05/37/390090537.db2.gz NDFCMANQNWTJPF-HUUCEWRRSA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@H]1CN([C@H](C)C[NH+]2CCOCC2)CC[N@H+]1C ZINC000487949036 390090538 /nfs/dbraw/zinc/09/05/38/390090538.db2.gz NDFCMANQNWTJPF-HUUCEWRRSA-N 2 2 269.433 0.979 20 0 CCADLP COCC1(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CCOCC1 ZINC000491591599 390115194 /nfs/dbraw/zinc/11/51/94/390115194.db2.gz MRULDHHXPQGTEE-STQMWFEESA-N 2 2 256.390 0.969 20 0 CCADLP COCC1(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CCOCC1 ZINC000491591599 390115195 /nfs/dbraw/zinc/11/51/95/390115195.db2.gz MRULDHHXPQGTEE-STQMWFEESA-N 2 2 256.390 0.969 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000457727034 390048917 /nfs/dbraw/zinc/04/89/17/390048917.db2.gz SDSLKMKYYZKAJC-GFCCVEGCSA-N 2 2 269.389 0.164 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)Cn2cc[nH+]c2C)CCO1 ZINC000457770818 390049634 /nfs/dbraw/zinc/04/96/34/390049634.db2.gz VXENHXBUNDENIN-CYBMUJFWSA-N 2 2 280.372 0.419 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)Cn2cc[nH+]c2C)CCO1 ZINC000457770818 390049635 /nfs/dbraw/zinc/04/96/35/390049635.db2.gz VXENHXBUNDENIN-CYBMUJFWSA-N 2 2 280.372 0.419 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)n1 ZINC000579483771 390179611 /nfs/dbraw/zinc/17/96/11/390179611.db2.gz WCAVBXTWPWENIA-ZJUUUORDSA-N 2 2 298.412 0.970 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@H+]2CCS[C@H]3COCC[C@H]32)n1 ZINC000579483771 390179615 /nfs/dbraw/zinc/17/96/15/390179615.db2.gz WCAVBXTWPWENIA-ZJUUUORDSA-N 2 2 298.412 0.970 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000579511078 390182537 /nfs/dbraw/zinc/18/25/37/390182537.db2.gz HKWLIRVFCOICDO-CYBMUJFWSA-N 2 2 292.383 0.143 20 0 CCADLP C[N@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)[C@@H]1CC[NH2+]C1 ZINC000647837993 390186908 /nfs/dbraw/zinc/18/69/08/390186908.db2.gz WMOLZZQXTAQGOX-CYBMUJFWSA-N 2 2 290.367 0.408 20 0 CCADLP C[N@@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)[C@@H]1CC[NH2+]C1 ZINC000647837993 390186910 /nfs/dbraw/zinc/18/69/10/390186910.db2.gz WMOLZZQXTAQGOX-CYBMUJFWSA-N 2 2 290.367 0.408 20 0 CCADLP O=C(/C=C/c1[nH]cc[nH+]1)NCCCC[N@H+]1CCC[C@H]1CO ZINC000493294174 390122630 /nfs/dbraw/zinc/12/26/30/390122630.db2.gz MQYVFYOHQXCFQF-GFUIURDCSA-N 2 2 292.383 0.776 20 0 CCADLP O=C(/C=C/c1[nH]cc[nH+]1)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000493294174 390122631 /nfs/dbraw/zinc/12/26/31/390122631.db2.gz MQYVFYOHQXCFQF-GFUIURDCSA-N 2 2 292.383 0.776 20 0 CCADLP C[NH+](C)C/C=C/C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000493403170 390124885 /nfs/dbraw/zinc/12/48/85/390124885.db2.gz PQDWNWRAIVKVPQ-ONEGZZNKSA-N 2 2 267.373 0.085 20 0 CCADLP C[C@@]1(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCC[NH2+]1 ZINC000644150383 390148032 /nfs/dbraw/zinc/14/80/32/390148032.db2.gz VAJAEVJPHCDTHW-WFASDCNBSA-N 2 2 274.368 0.919 20 0 CCADLP CCC[NH+]1CCC([NH2+]C[C@H](C)S(C)(=O)=O)CC1 ZINC000538197882 390189395 /nfs/dbraw/zinc/18/93/95/390189395.db2.gz FIHGFYZQNPGLMZ-NSHDSACASA-N 2 2 262.419 0.884 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000579255964 390158659 /nfs/dbraw/zinc/15/86/59/390158659.db2.gz WCZCIRJOTYYJNC-UHFFFAOYSA-N 2 2 290.371 0.450 20 0 CCADLP COCCC[N@H+](C)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647785744 390171418 /nfs/dbraw/zinc/17/14/18/390171418.db2.gz DVCLQVBBNRUZFK-RRFJBIMHSA-N 3 2 269.433 0.932 20 0 CCADLP COCCC[N@@H+](C)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647785744 390171420 /nfs/dbraw/zinc/17/14/20/390171420.db2.gz DVCLQVBBNRUZFK-RRFJBIMHSA-N 3 2 269.433 0.932 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)S(C)(=O)=O)[C@H](C)C1 ZINC000536833267 390171863 /nfs/dbraw/zinc/17/18/63/390171863.db2.gz OIEADWQCMQAIRF-WOPDTQHZSA-N 2 2 262.419 0.739 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)S(C)(=O)=O)[C@H](C)C1 ZINC000536833267 390171867 /nfs/dbraw/zinc/17/18/67/390171867.db2.gz OIEADWQCMQAIRF-WOPDTQHZSA-N 2 2 262.419 0.739 20 0 CCADLP CC(C)Cn1cc(CN2CC[N@H+](C)C[C@H]2C[NH3+])cn1 ZINC000579473432 390176922 /nfs/dbraw/zinc/17/69/22/390176922.db2.gz VELKBYVXMPHRFR-CQSZACIVSA-N 2 2 265.405 0.614 20 0 CCADLP CC(C)Cn1cc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])cn1 ZINC000579473432 390176924 /nfs/dbraw/zinc/17/69/24/390176924.db2.gz VELKBYVXMPHRFR-CQSZACIVSA-N 2 2 265.405 0.614 20 0 CCADLP CC(C)(C)C(=O)N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647874795 390202562 /nfs/dbraw/zinc/20/25/62/390202562.db2.gz ZBEUTEJUYOFOCV-GFCCVEGCSA-N 2 2 253.390 0.786 20 0 CCADLP O=C(CC[N@@H+]1CCO[C@H](C(F)(F)F)C1)N1CC[NH2+]CC1 ZINC000647886834 390208174 /nfs/dbraw/zinc/20/81/74/390208174.db2.gz ZWKAETRZWYHSTN-JTQLQIEISA-N 2 2 295.305 0.071 20 0 CCADLP O=C(CC[N@H+]1CCO[C@H](C(F)(F)F)C1)N1CC[NH2+]CC1 ZINC000647886834 390208175 /nfs/dbraw/zinc/20/81/75/390208175.db2.gz ZWKAETRZWYHSTN-JTQLQIEISA-N 2 2 295.305 0.071 20 0 CCADLP C[C@@H](C[NH2+]C[C@H](O)CC(F)(F)F)C[NH+]1CCOCC1 ZINC000580064581 390216440 /nfs/dbraw/zinc/21/64/40/390216440.db2.gz LDCVBWPIFDMFJZ-WDEREUQCSA-N 2 2 284.322 0.858 20 0 CCADLP CC[C@H]1C[N@H+](CC(=O)N(C)CC2CC2)CC[C@@H]1[NH3+] ZINC000647934317 390222209 /nfs/dbraw/zinc/22/22/09/390222209.db2.gz ADUKAWDMWOGGRX-STQMWFEESA-N 2 2 253.390 0.914 20 0 CCADLP CC[C@H]1C[N@@H+](CC(=O)N(C)CC2CC2)CC[C@@H]1[NH3+] ZINC000647934317 390222213 /nfs/dbraw/zinc/22/22/13/390222213.db2.gz ADUKAWDMWOGGRX-STQMWFEESA-N 2 2 253.390 0.914 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCO[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000647865586 390198333 /nfs/dbraw/zinc/19/83/33/390198333.db2.gz NZRSSAPKXDUJOK-CVEARBPZSA-N 3 2 298.475 0.451 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCO[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000647865586 390198336 /nfs/dbraw/zinc/19/83/36/390198336.db2.gz NZRSSAPKXDUJOK-CVEARBPZSA-N 3 2 298.475 0.451 20 0 CCADLP CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000580202990 390229857 /nfs/dbraw/zinc/22/98/57/390229857.db2.gz XVLZIPSDAGZPCK-HNNXBMFYSA-N 2 2 291.399 0.064 20 0 CCADLP CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000580202990 390229861 /nfs/dbraw/zinc/22/98/61/390229861.db2.gz XVLZIPSDAGZPCK-HNNXBMFYSA-N 2 2 291.399 0.064 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)NCC1CC[NH2+]CC1 ZINC000583554054 390291767 /nfs/dbraw/zinc/29/17/67/390291767.db2.gz CHRCOCFOONHRIB-UHFFFAOYSA-N 2 2 298.431 0.396 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)NCC1CC[NH2+]CC1 ZINC000583554054 390291771 /nfs/dbraw/zinc/29/17/71/390291771.db2.gz CHRCOCFOONHRIB-UHFFFAOYSA-N 2 2 298.431 0.396 20 0 CCADLP O[C@@H](CN[C@@H]1CC[N@@H+](C2CCCC2)C1)C[NH+]1CCOCC1 ZINC000644550025 390250609 /nfs/dbraw/zinc/25/06/09/390250609.db2.gz PSFZFOMIHXPIEH-ZBFHGGJFSA-N 2 2 297.443 0.286 20 0 CCADLP O[C@@H](CN[C@@H]1CC[N@H+](C2CCCC2)C1)C[NH+]1CCOCC1 ZINC000644550025 390250610 /nfs/dbraw/zinc/25/06/10/390250610.db2.gz PSFZFOMIHXPIEH-ZBFHGGJFSA-N 2 2 297.443 0.286 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](O)CC(F)(F)F)n1C ZINC000644562379 390253766 /nfs/dbraw/zinc/25/37/66/390253766.db2.gz MFLTUHXPDOZIAB-VIFPVBQESA-N 2 2 280.294 0.889 20 0 CCADLP OCCC[N@@H+]1CCC[C@H]([NH2+]C[C@H]2CNc3ccnn3C2)C1 ZINC000648039634 390260059 /nfs/dbraw/zinc/26/00/59/390260059.db2.gz OYHQDXIPLYHXHE-KBPBESRZSA-N 2 2 293.415 0.361 20 0 CCADLP OCCC[N@H+]1CCC[C@H]([NH2+]C[C@H]2CNc3ccnn3C2)C1 ZINC000648039634 390260063 /nfs/dbraw/zinc/26/00/63/390260063.db2.gz OYHQDXIPLYHXHE-KBPBESRZSA-N 2 2 293.415 0.361 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)S(C)(=O)=O ZINC000582117135 390261266 /nfs/dbraw/zinc/26/12/66/390261266.db2.gz FPWZQYSASCKGMX-IJLUTSLNSA-N 2 2 262.419 0.882 20 0 CCADLP Cc1cnccc1CCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000583311752 390282045 /nfs/dbraw/zinc/28/20/45/390282045.db2.gz MDHPADOWKJHPAF-AWEZNQCLSA-N 2 2 291.399 0.217 20 0 CCADLP Cc1cnccc1CCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000583311752 390282047 /nfs/dbraw/zinc/28/20/47/390282047.db2.gz MDHPADOWKJHPAF-AWEZNQCLSA-N 2 2 291.399 0.217 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN2CCOC[C@@H]2C1 ZINC000543558636 390284508 /nfs/dbraw/zinc/28/45/08/390284508.db2.gz XZXDLKZONIEWOH-GJZGRUSLSA-N 2 2 267.417 0.877 20 0 CCADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN2CCOC[C@@H]2C1 ZINC000543558636 390284514 /nfs/dbraw/zinc/28/45/14/390284514.db2.gz XZXDLKZONIEWOH-GJZGRUSLSA-N 2 2 267.417 0.877 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000543558636 390284517 /nfs/dbraw/zinc/28/45/17/390284517.db2.gz XZXDLKZONIEWOH-GJZGRUSLSA-N 2 2 267.417 0.877 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000543558636 390284520 /nfs/dbraw/zinc/28/45/20/390284520.db2.gz XZXDLKZONIEWOH-GJZGRUSLSA-N 2 2 267.417 0.877 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CCN1CC[NH+]2CCOC[C@@H]2C1 ZINC000543558636 390284523 /nfs/dbraw/zinc/28/45/23/390284523.db2.gz XZXDLKZONIEWOH-GJZGRUSLSA-N 2 2 267.417 0.877 20 0 CCADLP C[N@H+]1CCCC[C@H]1CCN1CC[NH+]2CCOC[C@@H]2C1 ZINC000543558636 390284527 /nfs/dbraw/zinc/28/45/27/390284527.db2.gz XZXDLKZONIEWOH-GJZGRUSLSA-N 2 2 267.417 0.877 20 0 CCADLP C[NH+]1CCCC[C@H]1CCN1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000543558636 390284531 /nfs/dbraw/zinc/28/45/31/390284531.db2.gz XZXDLKZONIEWOH-GJZGRUSLSA-N 2 2 267.417 0.877 20 0 CCADLP C[NH+]1CCCC[C@H]1CCN1CC[N@H+]2CCOC[C@@H]2C1 ZINC000543558636 390284534 /nfs/dbraw/zinc/28/45/34/390284534.db2.gz XZXDLKZONIEWOH-GJZGRUSLSA-N 2 2 267.417 0.877 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@H](c2nnc[nH]2)C1)C1CC1 ZINC000583627278 390300284 /nfs/dbraw/zinc/30/02/84/390300284.db2.gz HWIONXOKANMSOX-CMPLNLGQSA-N 2 2 265.361 0.049 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@H](c2nnc[nH]2)C1)C1CC1 ZINC000583627278 390300287 /nfs/dbraw/zinc/30/02/87/390300287.db2.gz HWIONXOKANMSOX-CMPLNLGQSA-N 2 2 265.361 0.049 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@H](c2nnc[nH]2)C1)C1CC1 ZINC000583627278 390300288 /nfs/dbraw/zinc/30/02/88/390300288.db2.gz HWIONXOKANMSOX-CMPLNLGQSA-N 2 2 265.361 0.049 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@H](c2nnc[nH]2)C1)C1CC1 ZINC000583627278 390300290 /nfs/dbraw/zinc/30/02/90/390300290.db2.gz HWIONXOKANMSOX-CMPLNLGQSA-N 2 2 265.361 0.049 20 0 CCADLP CCO[C@H](CC[NH+](C)C)CNC(=O)Cc1c[nH+]cn1C ZINC000583650711 390303312 /nfs/dbraw/zinc/30/33/12/390303312.db2.gz QMYMOYGZOXTOOV-CYBMUJFWSA-N 2 2 282.388 0.436 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CN2CCOC2=O)C1 ZINC000496126369 390304363 /nfs/dbraw/zinc/30/43/63/390304363.db2.gz SSQNFQRKEWFPGY-QWHCGFSZSA-N 2 2 285.388 0.073 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CN2CCOC2=O)C1 ZINC000496126369 390304366 /nfs/dbraw/zinc/30/43/66/390304366.db2.gz SSQNFQRKEWFPGY-QWHCGFSZSA-N 2 2 285.388 0.073 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](CN2CCOC2=O)C1 ZINC000496126369 390304369 /nfs/dbraw/zinc/30/43/69/390304369.db2.gz SSQNFQRKEWFPGY-QWHCGFSZSA-N 2 2 285.388 0.073 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](CN2CCOC2=O)C1 ZINC000496126369 390304373 /nfs/dbraw/zinc/30/43/73/390304373.db2.gz SSQNFQRKEWFPGY-QWHCGFSZSA-N 2 2 285.388 0.073 20 0 CCADLP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000648151855 390313571 /nfs/dbraw/zinc/31/35/71/390313571.db2.gz ULRGQFFRCFHDFI-WHOHXGKFSA-N 2 2 260.341 0.929 20 0 CCADLP Cn1cc[nH+]c1[C@H](NC(=O)[C@H]1CCC[NH2+]1)C1CCOCC1 ZINC000648166678 390322411 /nfs/dbraw/zinc/32/24/11/390322411.db2.gz IWGHAJXNYQNIFF-CHWSQXEVSA-N 2 2 292.383 0.756 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC000546565198 390350998 /nfs/dbraw/zinc/35/09/98/390350998.db2.gz OKAGFQZOUOYKSO-AWEZNQCLSA-N 2 2 298.408 0.246 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC000546565198 390351002 /nfs/dbraw/zinc/35/10/02/390351002.db2.gz OKAGFQZOUOYKSO-AWEZNQCLSA-N 2 2 298.408 0.246 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](n2cc(C)cn2)C1 ZINC000584537924 390353545 /nfs/dbraw/zinc/35/35/45/390353545.db2.gz AOIKEHALLNUPAR-LSDHHAIUSA-N 2 2 296.415 0.377 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](n2cc(C)cn2)C1 ZINC000584537924 390353549 /nfs/dbraw/zinc/35/35/49/390353549.db2.gz AOIKEHALLNUPAR-LSDHHAIUSA-N 2 2 296.415 0.377 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000584537924 390353553 /nfs/dbraw/zinc/35/35/53/390353553.db2.gz AOIKEHALLNUPAR-LSDHHAIUSA-N 2 2 296.415 0.377 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000584537924 390353556 /nfs/dbraw/zinc/35/35/56/390353556.db2.gz AOIKEHALLNUPAR-LSDHHAIUSA-N 2 2 296.415 0.377 20 0 CCADLP COCC[NH2+]C1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000584533955 390353567 /nfs/dbraw/zinc/35/35/67/390353567.db2.gz VFTLVZRWENEPPL-UHFFFAOYSA-N 2 2 291.395 0.986 20 0 CCADLP Cn1cc(C(C)(C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cn1 ZINC000546705770 390358431 /nfs/dbraw/zinc/35/84/31/390358431.db2.gz ZFGPLXAOUCJPOK-UHFFFAOYSA-N 2 2 279.388 0.019 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCO[C@H](C)C2)CC[N@@H+]1C ZINC000648759497 390403002 /nfs/dbraw/zinc/40/30/02/390403002.db2.gz GTFYCLGCYCJJPL-JHJVBQTASA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCO[C@H](C)C2)CC[N@H+]1C ZINC000648759497 390403005 /nfs/dbraw/zinc/40/30/05/390403005.db2.gz GTFYCLGCYCJJPL-JHJVBQTASA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC[NH+]1C ZINC000648759497 390403007 /nfs/dbraw/zinc/40/30/07/390403007.db2.gz GTFYCLGCYCJJPL-JHJVBQTASA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[N@H+]2CCO[C@H](C)C2)CC[NH+]1C ZINC000648759497 390403009 /nfs/dbraw/zinc/40/30/09/390403009.db2.gz GTFYCLGCYCJJPL-JHJVBQTASA-N 2 2 269.389 0.164 20 0 CCADLP CN(CCC[NH+](C)C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548000328 390413549 /nfs/dbraw/zinc/41/35/49/390413549.db2.gz SMOCXPORFZTSFR-LBPRGKRZSA-N 2 2 279.388 0.791 20 0 CCADLP CN1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1=O ZINC000527961517 285375121 /nfs/dbraw/zinc/37/51/21/285375121.db2.gz ITZSTTYMJUCBMM-ZDUSSCGKSA-N 2 2 251.374 0.824 20 0 CCADLP Cc1nocc1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000645156443 390379780 /nfs/dbraw/zinc/37/97/80/390379780.db2.gz BVQCXMTWFKFEAJ-HNNXBMFYSA-N 2 2 294.399 0.479 20 0 CCADLP CN1CC[NH+](CCCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000606345995 390385334 /nfs/dbraw/zinc/38/53/34/390385334.db2.gz BTPMGPQHHJEFDZ-AWEZNQCLSA-N 2 2 282.432 0.224 20 0 CCADLP CN1CC[NH+](CCCNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000606345995 390385340 /nfs/dbraw/zinc/38/53/40/390385340.db2.gz BTPMGPQHHJEFDZ-AWEZNQCLSA-N 2 2 282.432 0.224 20 0 CCADLP Cc1nc(N)c(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c[nH+]1 ZINC000648902583 390441060 /nfs/dbraw/zinc/44/10/60/390441060.db2.gz ZPXYXPUNMOKJLT-LDYMZIIASA-N 2 2 263.345 0.154 20 0 CCADLP Cc1nc(N)c(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c[nH+]1 ZINC000648902583 390441063 /nfs/dbraw/zinc/44/10/63/390441063.db2.gz ZPXYXPUNMOKJLT-LDYMZIIASA-N 2 2 263.345 0.154 20 0 CCADLP COCC[NH+]1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000565316209 390503211 /nfs/dbraw/zinc/50/32/11/390503211.db2.gz XMRQFIPWCDHCDB-UHFFFAOYSA-N 2 2 269.389 0.119 20 0 CCADLP C[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2ccon2)C[C@@H]1C[NH3+] ZINC000643440998 390447134 /nfs/dbraw/zinc/44/71/34/390447134.db2.gz YETWGLUHVVDPJD-VWYCJHECSA-N 2 2 266.345 0.340 20 0 CCADLP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2ccon2)C[C@@H]1C[NH3+] ZINC000643440998 390447137 /nfs/dbraw/zinc/44/71/37/390447137.db2.gz YETWGLUHVVDPJD-VWYCJHECSA-N 2 2 266.345 0.340 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000643472168 390451749 /nfs/dbraw/zinc/45/17/49/390451749.db2.gz CQOWYMAWGDFPMC-QWHCGFSZSA-N 3 2 268.405 0.010 20 0 CCADLP C[NH+]1CCN(C(=O)CN[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000643472168 390451751 /nfs/dbraw/zinc/45/17/51/390451751.db2.gz CQOWYMAWGDFPMC-QWHCGFSZSA-N 2 2 268.405 0.010 20 0 CCADLP C[C@H](Nc1ccc(N(C)CCO)c[nH+]1)[C@@H]1CC[NH2+]C1 ZINC000643478601 390453314 /nfs/dbraw/zinc/45/33/14/390453314.db2.gz LIICLHIYIZFKOY-NWDGAFQWSA-N 2 2 264.373 0.920 20 0 CCADLP CCCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](C)C1 ZINC000648998095 390463670 /nfs/dbraw/zinc/46/36/70/390463670.db2.gz DKYCNCQRUHHRKF-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CCCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](C)C1 ZINC000648998095 390463673 /nfs/dbraw/zinc/46/36/73/390463673.db2.gz DKYCNCQRUHHRKF-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CCCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](C)C1 ZINC000648998095 390463676 /nfs/dbraw/zinc/46/36/76/390463676.db2.gz DKYCNCQRUHHRKF-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CCCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](C)C1 ZINC000648998095 390463679 /nfs/dbraw/zinc/46/36/79/390463679.db2.gz DKYCNCQRUHHRKF-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000512448054 390464634 /nfs/dbraw/zinc/46/46/34/390464634.db2.gz PQABREWJAHAUMP-BFHYXJOUSA-N 2 2 298.431 0.441 20 0 CCADLP O=C(NCc1c[nH+]c[nH]1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000646046134 390584436 /nfs/dbraw/zinc/58/44/36/390584436.db2.gz VVDJWLMDLVHGKW-GFCCVEGCSA-N 2 2 274.328 0.461 20 0 CCADLP O=C(NCc1c[nH]c[nH+]1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000646046134 390584443 /nfs/dbraw/zinc/58/44/43/390584443.db2.gz VVDJWLMDLVHGKW-GFCCVEGCSA-N 2 2 274.328 0.461 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000519709006 390532138 /nfs/dbraw/zinc/53/21/38/390532138.db2.gz SICGSHTYGSRAEO-OAHLLOKOSA-N 3 2 294.399 0.183 20 0 CCADLP CC(C)C[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000645926826 390532523 /nfs/dbraw/zinc/53/25/23/390532523.db2.gz YNFSWLDLABPPTP-GFCCVEGCSA-N 2 2 271.405 0.587 20 0 CCADLP CC(C)C[C@@H]([NH3+])C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000645926826 390532524 /nfs/dbraw/zinc/53/25/24/390532524.db2.gz YNFSWLDLABPPTP-GFCCVEGCSA-N 2 2 271.405 0.587 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CC1([NH3+])CCC1 ZINC000645932943 390533893 /nfs/dbraw/zinc/53/38/93/390533893.db2.gz PXISDINAWAYILW-LLVKDONJSA-N 2 2 255.362 0.095 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)CC1([NH3+])CCC1 ZINC000645932943 390533900 /nfs/dbraw/zinc/53/39/00/390533900.db2.gz PXISDINAWAYILW-LLVKDONJSA-N 2 2 255.362 0.095 20 0 CCADLP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000566169868 390589935 /nfs/dbraw/zinc/58/99/35/390589935.db2.gz SRWHJSCUXCOKFC-NWDGAFQWSA-N 2 2 278.356 0.493 20 0 CCADLP CS[C@H](C)CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000565823984 390548964 /nfs/dbraw/zinc/54/89/64/390548964.db2.gz XIZODJQEPKKVEJ-ZJUUUORDSA-N 2 2 260.407 0.022 20 0 CCADLP CS[C@H](C)CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000565823984 390548970 /nfs/dbraw/zinc/54/89/70/390548970.db2.gz XIZODJQEPKKVEJ-ZJUUUORDSA-N 2 2 260.407 0.022 20 0 CCADLP CCC[N@@H+](CC(=O)N(C)C)C[C@@H](O)C[NH+](C)CC ZINC000565870749 390553861 /nfs/dbraw/zinc/55/38/61/390553861.db2.gz BKOSXCIZZDPSHT-LBPRGKRZSA-N 2 2 259.394 0.099 20 0 CCADLP CCC[N@H+](CC(=O)N(C)C)C[C@@H](O)C[NH+](C)CC ZINC000565870749 390553863 /nfs/dbraw/zinc/55/38/63/390553863.db2.gz BKOSXCIZZDPSHT-LBPRGKRZSA-N 2 2 259.394 0.099 20 0 CCADLP CCC[NH+](CC(=O)N(C)C)C[C@@H](O)C[N@H+](C)CC ZINC000565870749 390553869 /nfs/dbraw/zinc/55/38/69/390553869.db2.gz BKOSXCIZZDPSHT-LBPRGKRZSA-N 2 2 259.394 0.099 20 0 CCADLP CCC[NH+](CC(=O)N(C)C)C[C@@H](O)C[N@@H+](C)CC ZINC000565870749 390553872 /nfs/dbraw/zinc/55/38/72/390553872.db2.gz BKOSXCIZZDPSHT-LBPRGKRZSA-N 2 2 259.394 0.099 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CCO1 ZINC000565895800 390556931 /nfs/dbraw/zinc/55/69/31/390556931.db2.gz VVGNAAWJTNLFDY-UMVBOHGHSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CCO1 ZINC000565895800 390556933 /nfs/dbraw/zinc/55/69/33/390556933.db2.gz VVGNAAWJTNLFDY-UMVBOHGHSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000649299739 390560524 /nfs/dbraw/zinc/56/05/24/390560524.db2.gz QKUHFADHCIAZJB-VHSXEESVSA-N 2 2 272.299 0.633 20 0 CCADLP CC1(OCC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C[NH2+]C1 ZINC000649302525 390562613 /nfs/dbraw/zinc/56/26/13/390562613.db2.gz WUCBQMUZTQFJFM-LLVKDONJSA-N 2 2 278.356 0.494 20 0 CCADLP Cc1ccn2cc(CNC(=O)COC3(C)C[NH2+]C3)[nH+]c2c1 ZINC000649303620 390563809 /nfs/dbraw/zinc/56/38/09/390563809.db2.gz MGGYHKUNZMPEFO-UHFFFAOYSA-N 2 2 288.351 0.637 20 0 CCADLP O=C(NCC[NH+]1Cc2ccccc2C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649306578 390566412 /nfs/dbraw/zinc/56/64/12/390566412.db2.gz YWUQTIPGINGZDB-FICVDOATSA-N 2 2 271.364 0.584 20 0 CCADLP CC(C)N1C[C@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1=O ZINC000520394084 390569976 /nfs/dbraw/zinc/56/99/76/390569976.db2.gz FOMBSDYXLIMQLO-UMVBOHGHSA-N 2 2 281.400 0.352 20 0 CCADLP Cc1cccc2[nH+]c(CCNC(=O)NCCC[NH3+])cn21 ZINC000646196944 390631143 /nfs/dbraw/zinc/63/11/43/390631143.db2.gz AUPAHTXHPQAOIQ-UHFFFAOYSA-N 2 2 275.356 0.833 20 0 CCADLP CCN(C)C(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104225 390598017 /nfs/dbraw/zinc/59/80/17/390598017.db2.gz CZYNGMPPAQABCY-UHFFFAOYSA-N 2 2 269.389 0.261 20 0 CCADLP CCN(C)C(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104225 390598022 /nfs/dbraw/zinc/59/80/22/390598022.db2.gz CZYNGMPPAQABCY-UHFFFAOYSA-N 2 2 269.389 0.261 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103515 390598310 /nfs/dbraw/zinc/59/83/10/390598310.db2.gz WQFZGFDPVUHUTG-GFCCVEGCSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103515 390598313 /nfs/dbraw/zinc/59/83/13/390598313.db2.gz WQFZGFDPVUHUTG-GFCCVEGCSA-N 2 2 281.400 0.450 20 0 CCADLP O=C1COc2ccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2N1 ZINC000646104985 390599480 /nfs/dbraw/zinc/59/94/80/390599480.db2.gz CAFWWSXJBOCSMM-TXEJJXNPSA-N 2 2 273.336 0.669 20 0 CCADLP O=C1COc2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2N1 ZINC000646104985 390599485 /nfs/dbraw/zinc/59/94/85/390599485.db2.gz CAFWWSXJBOCSMM-TXEJJXNPSA-N 2 2 273.336 0.669 20 0 CCADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000649366528 390606893 /nfs/dbraw/zinc/60/68/93/390606893.db2.gz YTCRVGQJKFFJIV-WCQYABFASA-N 2 2 298.350 0.486 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000567624193 390707139 /nfs/dbraw/zinc/70/71/39/390707139.db2.gz HVTQUZKEDAVLSU-CYBMUJFWSA-N 2 2 272.389 0.227 20 0 CCADLP CCOC(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000570843537 390721474 /nfs/dbraw/zinc/72/14/74/390721474.db2.gz CQBLAKZCMJBFHF-NSHDSACASA-N 2 2 256.346 0.237 20 0 CCADLP CCOC(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000570843537 390721475 /nfs/dbraw/zinc/72/14/75/390721475.db2.gz CQBLAKZCMJBFHF-NSHDSACASA-N 2 2 256.346 0.237 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCOC2CCCC2)[C@@H](C[NH3+])C1 ZINC000570938632 390725413 /nfs/dbraw/zinc/72/54/13/390725413.db2.gz UDCFVUHPXRZQKL-LBPRGKRZSA-N 2 2 284.404 0.230 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCOC2CCCC2)[C@@H](C[NH3+])C1 ZINC000570938632 390725415 /nfs/dbraw/zinc/72/54/15/390725415.db2.gz UDCFVUHPXRZQKL-LBPRGKRZSA-N 2 2 284.404 0.230 20 0 CCADLP COCC(C)(C)[NH+]1CCN(C(=O)c2ccc(C[NH3+])o2)CC1 ZINC000646390878 390676336 /nfs/dbraw/zinc/67/63/36/390676336.db2.gz PQSNXANFVMZFFQ-UHFFFAOYSA-N 2 2 295.383 0.921 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)c1csc(CC[NH3+])n1 ZINC000567167819 390676780 /nfs/dbraw/zinc/67/67/80/390676780.db2.gz QFHKVWUFXHONLS-UHFFFAOYSA-N 2 2 298.412 0.049 20 0 CCADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)CC(C)(C)[NH3+])no1 ZINC000646426523 390680885 /nfs/dbraw/zinc/68/08/85/390680885.db2.gz QPJZZPAQNCDNLK-UHFFFAOYSA-N 2 2 283.376 0.610 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](C[C@@H](C)C(=O)OC)C1CC1 ZINC000571341636 390731610 /nfs/dbraw/zinc/73/16/10/390731610.db2.gz PCRZQLNSTRZMIW-YPMHNXCESA-N 2 2 272.389 0.573 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C[C@@H](C)C(=O)OC)C1CC1 ZINC000571341636 390731611 /nfs/dbraw/zinc/73/16/11/390731611.db2.gz PCRZQLNSTRZMIW-YPMHNXCESA-N 2 2 272.389 0.573 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](C[C@@H](C)C(=O)OC)C1CC1 ZINC000571341636 390731613 /nfs/dbraw/zinc/73/16/13/390731613.db2.gz PCRZQLNSTRZMIW-YPMHNXCESA-N 2 2 272.389 0.573 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C[C@@H](C)C(=O)OC)C1CC1 ZINC000571341636 390731615 /nfs/dbraw/zinc/73/16/15/390731615.db2.gz PCRZQLNSTRZMIW-YPMHNXCESA-N 2 2 272.389 0.573 20 0 CCADLP OCC1([NH2+]CC2CC2)CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000567239540 390682245 /nfs/dbraw/zinc/68/22/45/390682245.db2.gz UTHAEMCNNZLYCF-CQSZACIVSA-N 2 2 284.400 0.228 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000646440878 390682309 /nfs/dbraw/zinc/68/23/09/390682309.db2.gz LUFFCZUOLNGKED-LBPRGKRZSA-N 2 2 288.355 0.503 20 0 CCADLP COc1ccc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000571863852 390756412 /nfs/dbraw/zinc/75/64/12/390756412.db2.gz SAAHXGOIYDSWNO-CYBMUJFWSA-N 2 2 292.383 0.480 20 0 CCADLP COc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000571863852 390756414 /nfs/dbraw/zinc/75/64/14/390756414.db2.gz SAAHXGOIYDSWNO-CYBMUJFWSA-N 2 2 292.383 0.480 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC000572088321 390767308 /nfs/dbraw/zinc/76/73/08/390767308.db2.gz MYQCUXJRKPZPJU-OLZOCXBDSA-N 2 2 262.357 0.968 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC000572088321 390767311 /nfs/dbraw/zinc/76/73/11/390767311.db2.gz MYQCUXJRKPZPJU-OLZOCXBDSA-N 2 2 262.357 0.968 20 0 CCADLP CC1([NH+]2CCOCC2)CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000528730225 390772433 /nfs/dbraw/zinc/77/24/33/390772433.db2.gz SHKHYCSJKOBVEC-CQSZACIVSA-N 2 2 284.400 0.589 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528755359 390775478 /nfs/dbraw/zinc/77/54/78/390775478.db2.gz QTFWWFILHNLMLR-OKILXGFUSA-N 2 2 267.373 0.275 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528755359 390775480 /nfs/dbraw/zinc/77/54/80/390775480.db2.gz QTFWWFILHNLMLR-OKILXGFUSA-N 2 2 267.373 0.275 20 0 CCADLP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000528756961 390775525 /nfs/dbraw/zinc/77/55/25/390775525.db2.gz PFLPERWEUMYQJB-GFQSEFKGSA-N 2 2 269.389 0.162 20 0 CCADLP COCC[NH+]1CCC([NH2+]Cc2cncnc2OC)CC1 ZINC000647175829 390782753 /nfs/dbraw/zinc/78/27/53/390782753.db2.gz JAXFSPZHUHOGCU-UHFFFAOYSA-N 2 2 280.372 0.686 20 0 CCADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]CC1(O)CCCC1 ZINC000572643488 390794378 /nfs/dbraw/zinc/79/43/78/390794378.db2.gz YOQWUVUXFZRRLX-CYBMUJFWSA-N 2 2 256.390 0.728 20 0 CCADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]CC1(O)CCCC1 ZINC000572643488 390794381 /nfs/dbraw/zinc/79/43/81/390794381.db2.gz YOQWUVUXFZRRLX-CYBMUJFWSA-N 2 2 256.390 0.728 20 0 CCADLP CNS(=O)(=O)CCC[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000571536464 390740304 /nfs/dbraw/zinc/74/03/04/390740304.db2.gz IVJAHEKWDPQZNX-UHFFFAOYSA-N 2 2 275.418 0.129 20 0 CCADLP CNS(=O)(=O)CCC[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000571536464 390740306 /nfs/dbraw/zinc/74/03/06/390740306.db2.gz IVJAHEKWDPQZNX-UHFFFAOYSA-N 2 2 275.418 0.129 20 0 CCADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000646924075 390741955 /nfs/dbraw/zinc/74/19/55/390741955.db2.gz AFRPXUHDKSXNAF-XQQFMLRXSA-N 2 2 274.368 0.608 20 0 CCADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000646924075 390741957 /nfs/dbraw/zinc/74/19/57/390741957.db2.gz AFRPXUHDKSXNAF-XQQFMLRXSA-N 2 2 274.368 0.608 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](C[C@H](O)CC2(O)CCC2)CC1 ZINC000528424278 390742794 /nfs/dbraw/zinc/74/27/94/390742794.db2.gz LOROZOUWMDZQGD-CYBMUJFWSA-N 2 2 294.399 0.208 20 0 CCADLP O[C@@H](C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)CC1(O)CCC1 ZINC000528474148 390748219 /nfs/dbraw/zinc/74/82/19/390748219.db2.gz HJYKIALPNQTRHK-GFCCVEGCSA-N 2 2 280.372 0.198 20 0 CCADLP CCOCCOC[C@H](O)C[NH2+]Cc1c[nH+]c(C)n1C ZINC000578144100 390867696 /nfs/dbraw/zinc/86/76/96/390867696.db2.gz IPGBCEFDSGEIRI-CYBMUJFWSA-N 2 2 271.361 0.232 20 0 CCADLP C[N@H+]1CCN(C(=O)Nc2cccc3c2OCO3)[C@H](C[NH3+])C1 ZINC000578168791 390868264 /nfs/dbraw/zinc/86/82/64/390868264.db2.gz XPYHIPQCRHXQSJ-SNVBAGLBSA-N 2 2 292.339 0.522 20 0 CCADLP C[NH+](C)CCn1ccc(C(=O)N2CC(n3cc[nH+]c3)C2)n1 ZINC000578245947 390873589 /nfs/dbraw/zinc/87/35/89/390873589.db2.gz CYSLCAKYACFJEK-UHFFFAOYSA-N 2 2 288.355 0.338 20 0 CCADLP C[N@@H+]1CCN(C(=O)COc2ccccc2F)[C@H](C[NH3+])C1 ZINC000578321604 390876462 /nfs/dbraw/zinc/87/64/62/390876462.db2.gz NNNXQRLJLQFFMF-LLVKDONJSA-N 2 2 281.331 0.306 20 0 CCADLP C[N@H+]1CCN(C(=O)COc2ccccc2F)[C@H](C[NH3+])C1 ZINC000578321604 390876465 /nfs/dbraw/zinc/87/64/65/390876465.db2.gz NNNXQRLJLQFFMF-LLVKDONJSA-N 2 2 281.331 0.306 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@H]2CC23CC3)C[C@H](C)O1 ZINC000572953343 390813229 /nfs/dbraw/zinc/81/32/29/390813229.db2.gz GHHOJSWERWLXHJ-XJFOESAGSA-N 2 2 268.401 0.846 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@H]2CC23CC3)C[C@H](C)O1 ZINC000572953343 390813231 /nfs/dbraw/zinc/81/32/31/390813231.db2.gz GHHOJSWERWLXHJ-XJFOESAGSA-N 2 2 268.401 0.846 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000529362423 390818707 /nfs/dbraw/zinc/81/87/07/390818707.db2.gz FDXUTCRZZBVBIE-GXTWGEPZSA-N 2 2 292.383 0.513 20 0 CCADLP O=C(NC[C@H]1COCC[NH2+]1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000529381670 390825304 /nfs/dbraw/zinc/82/53/04/390825304.db2.gz QXJFWEWZKCGMJT-NEPJUHHUSA-N 2 2 293.371 0.287 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]CCC(=O)Nc1ccc(C)cn1 ZINC000647529572 390833735 /nfs/dbraw/zinc/83/37/35/390833735.db2.gz VWWULGSAWVOASA-UHFFFAOYSA-N 2 2 294.399 0.622 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]CCC(=O)Nc1ccc(C)cn1 ZINC000647529572 390833740 /nfs/dbraw/zinc/83/37/40/390833740.db2.gz VWWULGSAWVOASA-UHFFFAOYSA-N 2 2 294.399 0.622 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000529499033 390838946 /nfs/dbraw/zinc/83/89/46/390838946.db2.gz UUNLMOBYNQDQAD-STQMWFEESA-N 2 2 280.372 0.105 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000529499033 390838948 /nfs/dbraw/zinc/83/89/48/390838948.db2.gz UUNLMOBYNQDQAD-STQMWFEESA-N 2 2 280.372 0.105 20 0 CCADLP [NH3+][C@H](C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cscn1 ZINC000578536685 390890803 /nfs/dbraw/zinc/89/08/03/390890803.db2.gz KTNPTGZHIGUWSU-USWWRNFRSA-N 2 2 280.397 0.886 20 0 CCADLP [NH3+][C@H](C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cscn1 ZINC000578536685 390890805 /nfs/dbraw/zinc/89/08/05/390890805.db2.gz KTNPTGZHIGUWSU-USWWRNFRSA-N 2 2 280.397 0.886 20 0 CCADLP O=C(Cn1c[nH+]c2c1CCCC2)NCCn1cc[nH+]c1 ZINC000578803937 390902927 /nfs/dbraw/zinc/90/29/27/390902927.db2.gz CPOZHUGZTMGIAW-UHFFFAOYSA-N 2 2 273.340 0.775 20 0 CCADLP CC[C@H](C)[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])OC ZINC000578864991 390904789 /nfs/dbraw/zinc/90/47/89/390904789.db2.gz JSCRFFROJACBEC-RWMBFGLXSA-N 2 2 286.420 0.332 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493793154 533312203 /nfs/dbraw/zinc/31/22/03/533312203.db2.gz RLHZSRFLBVFAPE-PLNGDYQASA-N 2 2 266.345 0.507 20 0 CCADLP COCC[N@@H+](C)CCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493793154 533312209 /nfs/dbraw/zinc/31/22/09/533312209.db2.gz RLHZSRFLBVFAPE-PLNGDYQASA-N 2 2 266.345 0.507 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2C[C@@](C)(O)C2)CC1 ZINC000418108776 533382710 /nfs/dbraw/zinc/38/27/10/533382710.db2.gz SBGHPJRXSYRHSF-OTVXOJSOSA-N 2 2 284.400 0.907 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2CCCC[NH2+]2)C[C@@H]1C ZINC000423900666 533420927 /nfs/dbraw/zinc/42/09/27/533420927.db2.gz RXBWTGLROWRSJZ-STQMWFEESA-N 2 2 297.399 0.224 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2CCCC[NH2+]2)C[C@@H]1C ZINC000423900666 533420932 /nfs/dbraw/zinc/42/09/32/533420932.db2.gz RXBWTGLROWRSJZ-STQMWFEESA-N 2 2 297.399 0.224 20 0 CCADLP C[C@@H](C(=O)NCc1ccnc(-n2cc[nH+]c2)c1)[C@H](C)[NH3+] ZINC000192100409 130370040 /nfs/dbraw/zinc/37/00/40/130370040.db2.gz YYVLMKNUSMOSSB-MNOVXSKESA-N 2 2 273.340 0.867 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NCC[NH+]2CCOCC2)CCC[N@@H+]1C ZINC000342209790 130384814 /nfs/dbraw/zinc/38/48/14/130384814.db2.gz WTEPKPVBIRGRRL-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NCC[NH+]2CCOCC2)CCC[N@H+]1C ZINC000342209790 130384816 /nfs/dbraw/zinc/38/48/16/130384816.db2.gz WTEPKPVBIRGRRL-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP CON(C)C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000237294026 131021428 /nfs/dbraw/zinc/02/14/28/131021428.db2.gz UUDSCHVUJPYDHR-AWEZNQCLSA-N 2 2 288.351 0.821 20 0 CCADLP Cc1cccn2cc(CNC(=O)[C@@H]3C[NH2+]CCO3)[nH+]c12 ZINC000237775509 131056915 /nfs/dbraw/zinc/05/69/15/131056915.db2.gz PJBKBQYWQQYZRC-LBPRGKRZSA-N 2 2 274.324 0.247 20 0 CCADLP C[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1n1cc[nH+]c1 ZINC000245604467 131088175 /nfs/dbraw/zinc/08/81/75/131088175.db2.gz JSAVZQAINNKBCY-CHWSQXEVSA-N 2 2 290.367 0.915 20 0 CCADLP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]2C[NH3+])C1 ZINC000250956300 131128235 /nfs/dbraw/zinc/12/82/35/131128235.db2.gz SANPBTZTVPNNSC-NEPJUHHUSA-N 2 2 275.418 0.081 20 0 CCADLP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]2C[NH3+])C1 ZINC000250956300 131128236 /nfs/dbraw/zinc/12/82/36/131128236.db2.gz SANPBTZTVPNNSC-NEPJUHHUSA-N 2 2 275.418 0.081 20 0 CCADLP C[C@H]1CN(C(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000251784828 131131277 /nfs/dbraw/zinc/13/12/77/131131277.db2.gz WMVAVJDDNWSZMQ-JZAZDWQXSA-N 2 2 295.427 0.837 20 0 CCADLP C[C@H]1CN(C(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000251784828 131131278 /nfs/dbraw/zinc/13/12/78/131131278.db2.gz WMVAVJDDNWSZMQ-JZAZDWQXSA-N 2 2 295.427 0.837 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252749425 131138456 /nfs/dbraw/zinc/13/84/56/131138456.db2.gz AOZXYSPRZRXPTP-QWRGUYRKSA-N 2 2 270.377 0.137 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252749425 131138458 /nfs/dbraw/zinc/13/84/58/131138458.db2.gz AOZXYSPRZRXPTP-QWRGUYRKSA-N 2 2 270.377 0.137 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)Cn1cccn1 ZINC000252959066 131140084 /nfs/dbraw/zinc/14/00/84/131140084.db2.gz LTEXPGUZDGDAQR-JHJVBQTASA-N 2 2 252.362 0.628 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000253164606 131140794 /nfs/dbraw/zinc/14/07/94/131140794.db2.gz YEDJMFKYNDMTPO-UTUOFQBUSA-N 2 2 250.346 0.776 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NC2CCCC2)C[C@H]1C[NH3+] ZINC000253225975 131140981 /nfs/dbraw/zinc/14/09/81/131140981.db2.gz IUJHIZPMBRPECP-VXGBXAGGSA-N 2 2 253.390 0.962 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NC2CCCC2)C[C@H]1C[NH3+] ZINC000253225975 131140983 /nfs/dbraw/zinc/14/09/83/131140983.db2.gz IUJHIZPMBRPECP-VXGBXAGGSA-N 2 2 253.390 0.962 20 0 CCADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)[C@@H]1CSC[NH2+]1 ZINC000261647971 131159576 /nfs/dbraw/zinc/15/95/76/131159576.db2.gz HDYKLTXMNACKDB-LBPRGKRZSA-N 2 2 292.408 0.961 20 0 CCADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000261899161 131176719 /nfs/dbraw/zinc/17/67/19/131176719.db2.gz AEECYCLROIBWGL-YPMHNXCESA-N 2 2 278.356 0.424 20 0 CCADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000262386773 131217168 /nfs/dbraw/zinc/21/71/68/131217168.db2.gz XMSJHLODVMWBOL-MFKMUULPSA-N 2 2 274.324 0.327 20 0 CCADLP O=C(NCCCCNc1cccc[nH+]1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262569962 131234381 /nfs/dbraw/zinc/23/43/81/131234381.db2.gz YUELVVWFIIYNQP-NWDGAFQWSA-N 2 2 278.356 0.113 20 0 CCADLP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000262860079 131269223 /nfs/dbraw/zinc/26/92/23/131269223.db2.gz TYWUBNDTZWKSNP-AAEUAGOBSA-N 2 2 285.351 0.995 20 0 CCADLP COCCN(CC[NH+](C)C)C(=O)CCn1cc[nH+]c1 ZINC000264121223 131397554 /nfs/dbraw/zinc/39/75/54/131397554.db2.gz CXSZKIHIXKYUDO-UHFFFAOYSA-N 2 2 268.361 0.310 20 0 CCADLP CC(C)[C@H](C(=O)N[C@@H](C)Cn1cc[nH+]c1)[NH+](C)C ZINC000268382449 132001357 /nfs/dbraw/zinc/00/13/57/132001357.db2.gz ZSOLBZOQDRCQSP-NWDGAFQWSA-N 2 2 252.362 0.974 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)/C=C/C[NH+](C)C ZINC000269167562 132123787 /nfs/dbraw/zinc/12/37/87/132123787.db2.gz QJRIWYROWJSMOT-GQCTYLIASA-N 2 2 250.346 0.849 20 0 CCADLP C[C@]1(C(=O)NCc2cn3ccccc3[nH+]2)CC[NH2+]C1 ZINC000269226783 132136187 /nfs/dbraw/zinc/13/61/87/132136187.db2.gz DQPCLFCRNUSZJW-AWEZNQCLSA-N 2 2 258.325 0.950 20 0 CCADLP Cc1ccn2cc(CNC(=O)[C@H]3C[NH2+]CCO3)[nH+]c2c1 ZINC000269236727 132139625 /nfs/dbraw/zinc/13/96/25/132139625.db2.gz HLGOAQQNHUMJAV-GFCCVEGCSA-N 2 2 274.324 0.247 20 0 CCADLP O[C@H](C[NH2+][C@H]1CCCn2nccc21)C[NH+]1CCCC1 ZINC000657842799 413065891 /nfs/dbraw/zinc/06/58/91/413065891.db2.gz AGDHMSXVURYDDS-OLZOCXBDSA-N 2 2 264.373 0.764 20 0 CCADLP COC1([C@@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)CCC1 ZINC000657880595 413071390 /nfs/dbraw/zinc/07/13/90/413071390.db2.gz PWIPPFWYZAIECD-OLZOCXBDSA-N 2 2 255.406 0.779 20 0 CCADLP COC1([C@@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)CCC1 ZINC000657880595 413071393 /nfs/dbraw/zinc/07/13/93/413071393.db2.gz PWIPPFWYZAIECD-OLZOCXBDSA-N 2 2 255.406 0.779 20 0 CCADLP CC1(C)C[C@@H]([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)CO1 ZINC000657884445 413073362 /nfs/dbraw/zinc/07/33/62/413073362.db2.gz UHTRHJCJQQKLIZ-LSDHHAIUSA-N 2 2 297.443 0.550 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000092136251 135075806 /nfs/dbraw/zinc/07/58/06/135075806.db2.gz BBTZTWXMVICPMM-LBPRGKRZSA-N 2 2 292.383 0.390 20 0 CCADLP O=C([C@H]1CCC[NH2+]1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000037497883 397381101 /nfs/dbraw/zinc/38/11/01/397381101.db2.gz PYUBHPVXZSEYFX-QWHCGFSZSA-N 2 2 267.373 0.062 20 0 CCADLP C[C@H](c1cccnc1)[NH+]1CCN(CCOCC[NH3+])CC1 ZINC000357085370 144058446 /nfs/dbraw/zinc/05/84/46/144058446.db2.gz SOPGONUHERLPAA-CQSZACIVSA-N 2 2 278.400 0.736 20 0 CCADLP CCCNC(=O)[C@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357647953 144108348 /nfs/dbraw/zinc/10/83/48/144108348.db2.gz NADRNTSRJJQGPW-LBPRGKRZSA-N 2 2 271.405 0.290 20 0 CCADLP CCCNC(=O)[C@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357647953 144108350 /nfs/dbraw/zinc/10/83/50/144108350.db2.gz NADRNTSRJJQGPW-LBPRGKRZSA-N 2 2 271.405 0.290 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000357781136 144121255 /nfs/dbraw/zinc/12/12/55/144121255.db2.gz ODGUWRPHDJTLKD-OLZOCXBDSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000357781136 144121257 /nfs/dbraw/zinc/12/12/57/144121257.db2.gz ODGUWRPHDJTLKD-OLZOCXBDSA-N 2 2 281.400 0.308 20 0 CCADLP CCOCCOC[C@H](O)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000357858715 144127051 /nfs/dbraw/zinc/12/70/51/144127051.db2.gz WHDKDMREHUWEGI-NWANDNLSSA-N 2 2 286.416 0.473 20 0 CCADLP CCOCCOC[C@H](O)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000357858715 144127053 /nfs/dbraw/zinc/12/70/53/144127053.db2.gz WHDKDMREHUWEGI-NWANDNLSSA-N 2 2 286.416 0.473 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000357883644 144129613 /nfs/dbraw/zinc/12/96/13/144129613.db2.gz UPZPBQUMZCXYSL-NRXISQOPSA-N 2 2 295.427 0.840 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000357883644 144129615 /nfs/dbraw/zinc/12/96/15/144129615.db2.gz UPZPBQUMZCXYSL-NRXISQOPSA-N 2 2 295.427 0.840 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCS(=O)(=O)NC(C)C)C1 ZINC000358018326 144142334 /nfs/dbraw/zinc/14/23/34/144142334.db2.gz AQSGGIWZRYADMQ-NEPJUHHUSA-N 2 2 277.434 0.244 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCS(=O)(=O)NC(C)C)C1 ZINC000358018326 144142335 /nfs/dbraw/zinc/14/23/35/144142335.db2.gz AQSGGIWZRYADMQ-NEPJUHHUSA-N 2 2 277.434 0.244 20 0 CCADLP Cc1nc(NC[C@H](c2ccco2)[NH+](C)C)nc(N(C)C)[nH+]1 ZINC000359232141 144203995 /nfs/dbraw/zinc/20/39/95/144203995.db2.gz NHYKNOIJVJNCLY-LLVKDONJSA-N 2 2 290.371 0.976 20 0 CCADLP C[C@@H]1OCC[C@]12C[N@H+](CCn1cc[nH+]c1)CCO2 ZINC000369314779 144263708 /nfs/dbraw/zinc/26/37/08/144263708.db2.gz PGIVOQGQXKFRPW-STQMWFEESA-N 2 2 251.330 0.763 20 0 CCADLP C[C@@H]1OCC[C@]12C[N@@H+](CCn1cc[nH+]c1)CCO2 ZINC000369314779 144263711 /nfs/dbraw/zinc/26/37/11/144263711.db2.gz PGIVOQGQXKFRPW-STQMWFEESA-N 2 2 251.330 0.763 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC[NH+](C)CC ZINC000370347788 144299287 /nfs/dbraw/zinc/29/92/87/144299287.db2.gz GYRKOWXEYSBMGV-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC[NH+](C)CC ZINC000370347788 144299289 /nfs/dbraw/zinc/29/92/89/144299289.db2.gz GYRKOWXEYSBMGV-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP CCCC[NH+]1CCOC[C@H]1C(=O)NCC[N@H+](C)CC ZINC000370347788 144299290 /nfs/dbraw/zinc/29/92/90/144299290.db2.gz GYRKOWXEYSBMGV-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP CCCC[NH+]1CCOC[C@H]1C(=O)NCC[N@@H+](C)CC ZINC000370347788 144299292 /nfs/dbraw/zinc/29/92/92/144299292.db2.gz GYRKOWXEYSBMGV-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP COCCN(CC[NH+](C)C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000370428733 144302768 /nfs/dbraw/zinc/30/27/68/144302768.db2.gz RZZOHDLENZFOBY-CYBMUJFWSA-N 2 2 294.399 0.482 20 0 CCADLP Cc1cc(NC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)cc[nH+]1 ZINC000372100615 144352658 /nfs/dbraw/zinc/35/26/58/144352658.db2.gz DGMGWDOYWQAYRK-YOGCLGLASA-N 2 2 273.336 0.565 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2CCC[C@H]21 ZINC000394124133 397516271 /nfs/dbraw/zinc/51/62/71/397516271.db2.gz IOWOBODOIOIEBI-MELADBBJSA-N 2 2 256.390 0.800 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2CCC[C@H]21 ZINC000394124133 397516277 /nfs/dbraw/zinc/51/62/77/397516277.db2.gz IOWOBODOIOIEBI-MELADBBJSA-N 2 2 256.390 0.800 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000394124133 397516278 /nfs/dbraw/zinc/51/62/78/397516278.db2.gz IOWOBODOIOIEBI-MELADBBJSA-N 2 2 256.390 0.800 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000394124133 397516284 /nfs/dbraw/zinc/51/62/84/397516284.db2.gz IOWOBODOIOIEBI-MELADBBJSA-N 2 2 256.390 0.800 20 0 CCADLP C[NH+](C)CC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000372564084 144373454 /nfs/dbraw/zinc/37/34/54/144373454.db2.gz RWDASLNGXHEEPI-UHFFFAOYSA-N 2 2 250.346 0.440 20 0 CCADLP COC(=O)C1(O)CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000372906707 144385024 /nfs/dbraw/zinc/38/50/24/144385024.db2.gz UICWIKQFCZZRNH-UHFFFAOYSA-N 2 2 284.400 0.862 20 0 CCADLP Cc1cc(C)n(CC[N@@H+]2CCO[C@H]([C@H](C)[NH3+])C2)n1 ZINC000386813933 397502940 /nfs/dbraw/zinc/50/29/40/397502940.db2.gz SHDZTZPHPYZIEI-STQMWFEESA-N 2 2 252.362 0.548 20 0 CCADLP Cc1cc(C)n(CC[N@H+]2CCO[C@H]([C@H](C)[NH3+])C2)n1 ZINC000386813933 397502944 /nfs/dbraw/zinc/50/29/44/397502944.db2.gz SHDZTZPHPYZIEI-STQMWFEESA-N 2 2 252.362 0.548 20 0 CCADLP Cc1cc(C)n(CC[N@@H+]2CCO[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000386813929 397503513 /nfs/dbraw/zinc/50/35/13/397503513.db2.gz SHDZTZPHPYZIEI-OLZOCXBDSA-N 2 2 252.362 0.548 20 0 CCADLP Cc1cc(C)n(CC[N@H+]2CCO[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000386813929 397503517 /nfs/dbraw/zinc/50/35/17/397503517.db2.gz SHDZTZPHPYZIEI-OLZOCXBDSA-N 2 2 252.362 0.548 20 0 CCADLP COc1ncccc1C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000389071893 397508750 /nfs/dbraw/zinc/50/87/50/397508750.db2.gz WZCAINONPDRZGB-ZDUSSCGKSA-N 2 2 265.357 0.635 20 0 CCADLP COc1ncccc1C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000389071893 397508751 /nfs/dbraw/zinc/50/87/51/397508751.db2.gz WZCAINONPDRZGB-ZDUSSCGKSA-N 2 2 265.357 0.635 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@]1(CCOC)CCOC1 ZINC000571937344 397579792 /nfs/dbraw/zinc/57/97/92/397579792.db2.gz SRMAIDZHEBVWGJ-OLZOCXBDSA-N 2 2 260.378 0.084 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@]1(CCOC)CCOC1 ZINC000571937344 397579794 /nfs/dbraw/zinc/57/97/94/397579794.db2.gz SRMAIDZHEBVWGJ-OLZOCXBDSA-N 2 2 260.378 0.084 20 0 CCADLP Cc1cc(C)n(CC[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)n1 ZINC000649685107 397654943 /nfs/dbraw/zinc/65/49/43/397654943.db2.gz OMFSWTSBWYVGJC-UHFFFAOYSA-N 2 2 293.415 0.206 20 0 CCADLP Cc1cc(C)n(CC[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)n1 ZINC000649685107 397654945 /nfs/dbraw/zinc/65/49/45/397654945.db2.gz OMFSWTSBWYVGJC-UHFFFAOYSA-N 2 2 293.415 0.206 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](CCCc2ccncc2)CC1=O ZINC000649685575 397656100 /nfs/dbraw/zinc/65/61/00/397656100.db2.gz FCFFVTAGIGDWBA-UHFFFAOYSA-N 2 2 290.411 0.720 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](CCCc2ccncc2)CC1=O ZINC000649685575 397656101 /nfs/dbraw/zinc/65/61/01/397656101.db2.gz FCFFVTAGIGDWBA-UHFFFAOYSA-N 2 2 290.411 0.720 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](C[C@H](O)CC2CCCC2)CC1=O ZINC000649686122 397656154 /nfs/dbraw/zinc/65/61/54/397656154.db2.gz ZKQAXIXQKZBPLV-OAHLLOKOSA-N 2 2 297.443 0.633 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](C[C@H](O)CC2CCCC2)CC1=O ZINC000649686122 397656159 /nfs/dbraw/zinc/65/61/59/397656159.db2.gz ZKQAXIXQKZBPLV-OAHLLOKOSA-N 2 2 297.443 0.633 20 0 CCADLP CC[C@H]1C[N@H+](Cc2csc(CC(=O)NC)n2)CC[C@@H]1[NH3+] ZINC000649417165 397609408 /nfs/dbraw/zinc/60/94/08/397609408.db2.gz ZPLKREKLNBJDPC-JQWIXIFHSA-N 2 2 296.440 0.991 20 0 CCADLP CC[C@H]1C[N@@H+](Cc2csc(CC(=O)NC)n2)CC[C@@H]1[NH3+] ZINC000649417165 397609412 /nfs/dbraw/zinc/60/94/12/397609412.db2.gz ZPLKREKLNBJDPC-JQWIXIFHSA-N 2 2 296.440 0.991 20 0 CCADLP COCC[N@@H+]1CCN(CC[NH+]2CCO[C@@H](C)C2)C(C)(C)C1 ZINC000649851103 397674776 /nfs/dbraw/zinc/67/47/76/397674776.db2.gz LMUNVEPOTOMSNH-HNNXBMFYSA-N 2 2 299.459 0.750 20 0 CCADLP COCC[N@H+]1CCN(CC[NH+]2CCO[C@@H](C)C2)C(C)(C)C1 ZINC000649851103 397674777 /nfs/dbraw/zinc/67/47/77/397674777.db2.gz LMUNVEPOTOMSNH-HNNXBMFYSA-N 2 2 299.459 0.750 20 0 CCADLP COCC[NH+]1CCN(CC[N@@H+]2CCO[C@@H](C)C2)C(C)(C)C1 ZINC000649851103 397674778 /nfs/dbraw/zinc/67/47/78/397674778.db2.gz LMUNVEPOTOMSNH-HNNXBMFYSA-N 2 2 299.459 0.750 20 0 CCADLP COCC[NH+]1CCN(CC[N@H+]2CCO[C@@H](C)C2)C(C)(C)C1 ZINC000649851103 397674780 /nfs/dbraw/zinc/67/47/80/397674780.db2.gz LMUNVEPOTOMSNH-HNNXBMFYSA-N 2 2 299.459 0.750 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000651099174 397827003 /nfs/dbraw/zinc/82/70/03/397827003.db2.gz VOJKXRZYLIPQKX-ZDUSSCGKSA-N 2 2 282.388 0.919 20 0 CCADLP COCC[N@@H+](C)CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000651099174 397827008 /nfs/dbraw/zinc/82/70/08/397827008.db2.gz VOJKXRZYLIPQKX-ZDUSSCGKSA-N 2 2 282.388 0.919 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNc2ccncc2C#N)CC1 ZINC000547504033 285950843 /nfs/dbraw/zinc/95/08/43/285950843.db2.gz KQVLJNOCKWNOQX-UHFFFAOYSA-N 2 2 273.384 0.813 20 0 CCADLP C[NH+]1CCC(NC(=O)C(C)(C)c2c[nH]c[nH+]2)CC1 ZINC000548408055 286034103 /nfs/dbraw/zinc/03/41/03/286034103.db2.gz GESVTPPKHXWEPP-UHFFFAOYSA-N 2 2 250.346 0.898 20 0 CCADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)NC(=O)NC3CC3)C2)C1 ZINC000549840870 286101070 /nfs/dbraw/zinc/10/10/70/286101070.db2.gz PKEPMSGQRGTMON-OAHLLOKOSA-N 2 2 294.399 0.392 20 0 CCADLP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)NC(=O)NC3CC3)C2)C1 ZINC000549840870 286101071 /nfs/dbraw/zinc/10/10/71/286101071.db2.gz PKEPMSGQRGTMON-OAHLLOKOSA-N 2 2 294.399 0.392 20 0 CCADLP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)NC(=O)NC3CC3)C2)C1 ZINC000549840870 286101072 /nfs/dbraw/zinc/10/10/72/286101072.db2.gz PKEPMSGQRGTMON-OAHLLOKOSA-N 2 2 294.399 0.392 20 0 CCADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)NC(=O)NC3CC3)C2)C1 ZINC000549840870 286101073 /nfs/dbraw/zinc/10/10/73/286101073.db2.gz PKEPMSGQRGTMON-OAHLLOKOSA-N 2 2 294.399 0.392 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000551780681 286126282 /nfs/dbraw/zinc/12/62/82/286126282.db2.gz LQDAHXBYGOVNQQ-LBPRGKRZSA-N 2 2 262.357 0.930 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000551780681 286126283 /nfs/dbraw/zinc/12/62/83/286126283.db2.gz LQDAHXBYGOVNQQ-LBPRGKRZSA-N 2 2 262.357 0.930 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000551780680 286126368 /nfs/dbraw/zinc/12/63/68/286126368.db2.gz LQDAHXBYGOVNQQ-GFCCVEGCSA-N 2 2 262.357 0.930 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000551780680 286126369 /nfs/dbraw/zinc/12/63/69/286126369.db2.gz LQDAHXBYGOVNQQ-GFCCVEGCSA-N 2 2 262.357 0.930 20 0 CCADLP [NH3+]C1(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CCCCC1 ZINC000659357619 413442422 /nfs/dbraw/zinc/44/24/22/413442422.db2.gz LAHVHTAQUODDTD-ZDUSSCGKSA-N 2 2 281.400 0.581 20 0 CCADLP [NH3+]C[C@@H]1CC[N@H+](Cc2nc(-c3ccccn3)no2)C1 ZINC000050247607 411677333 /nfs/dbraw/zinc/67/73/33/411677333.db2.gz CGEMYAACMJFVCP-JTQLQIEISA-N 2 2 259.313 0.912 20 0 CCADLP [NH3+]C[C@@H]1CC[N@@H+](Cc2nc(-c3ccccn3)no2)C1 ZINC000050247607 411677340 /nfs/dbraw/zinc/67/73/40/411677340.db2.gz CGEMYAACMJFVCP-JTQLQIEISA-N 2 2 259.313 0.912 20 0 CCADLP CCCc1noc(C[N@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000071150320 411694005 /nfs/dbraw/zinc/69/40/05/411694005.db2.gz JFJXFUZFWHBBAK-UHFFFAOYSA-N 2 2 267.377 0.359 20 0 CCADLP CCCc1noc(C[N@@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000071150320 411694008 /nfs/dbraw/zinc/69/40/08/411694008.db2.gz JFJXFUZFWHBBAK-UHFFFAOYSA-N 2 2 267.377 0.359 20 0 CCADLP [NH3+]CC[C@H](NC(=O)CCn1cc[nH+]c1)C(F)(F)F ZINC000307768815 411745240 /nfs/dbraw/zinc/74/52/40/411745240.db2.gz IEYKCTOJBHXJMZ-QMMMGPOBSA-N 2 2 264.251 0.669 20 0 CCADLP C[N@@H+]1CCC[C@H]1C[NH2+]C(C)(C)CN1CCOCC1 ZINC000308647157 411745315 /nfs/dbraw/zinc/74/53/15/411745315.db2.gz KHNJPJGYCXCZIA-ZDUSSCGKSA-N 2 2 255.406 0.781 20 0 CCADLP C[N@H+]1CCC[C@H]1C[NH2+]C(C)(C)CN1CCOCC1 ZINC000308647157 411745316 /nfs/dbraw/zinc/74/53/16/411745316.db2.gz KHNJPJGYCXCZIA-ZDUSSCGKSA-N 2 2 255.406 0.781 20 0 CCADLP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(CC)CC)C[C@H]1C[NH3+] ZINC000405228599 411800329 /nfs/dbraw/zinc/80/03/29/411800329.db2.gz UUIYWDZIEHLXBN-YRGRVCCFSA-N 2 2 285.432 0.975 20 0 CCADLP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)NC(CC)CC)C[C@H]1C[NH3+] ZINC000405228599 411800330 /nfs/dbraw/zinc/80/03/30/411800330.db2.gz UUIYWDZIEHLXBN-YRGRVCCFSA-N 2 2 285.432 0.975 20 0 CCADLP CCO[C@@H]1C[N@H+](CC(=O)N2CCCCC2)C[C@H]1C[NH3+] ZINC000405512296 411803305 /nfs/dbraw/zinc/80/33/05/411803305.db2.gz GCGPIMADUSBFRS-CHWSQXEVSA-N 2 2 269.389 0.295 20 0 CCADLP CCO[C@@H]1C[N@@H+](CC(=O)N2CCCCC2)C[C@H]1C[NH3+] ZINC000405512296 411803308 /nfs/dbraw/zinc/80/33/08/411803308.db2.gz GCGPIMADUSBFRS-CHWSQXEVSA-N 2 2 269.389 0.295 20 0 CCADLP C[C@@H](CCCCO)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000651380052 411857579 /nfs/dbraw/zinc/85/75/79/411857579.db2.gz ZDYIIAIBOGQYIH-UONOGXRCSA-N 2 2 258.406 0.974 20 0 CCADLP C[C@@H](CCCCO)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000651380052 411857583 /nfs/dbraw/zinc/85/75/83/411857583.db2.gz ZDYIIAIBOGQYIH-UONOGXRCSA-N 2 2 258.406 0.974 20 0 CCADLP COc1cc(OC)c(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1F ZINC000651762928 411930760 /nfs/dbraw/zinc/93/07/60/411930760.db2.gz ZIDKTGZSLYGLNF-HNNXBMFYSA-N 2 2 298.358 0.999 20 0 CCADLP COc1cc(OC)c(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1F ZINC000651762928 411930764 /nfs/dbraw/zinc/93/07/64/411930764.db2.gz ZIDKTGZSLYGLNF-HNNXBMFYSA-N 2 2 298.358 0.999 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC[C@@]1(O)CCOC1 ZINC000651944267 411965335 /nfs/dbraw/zinc/96/53/35/411965335.db2.gz RALSXHGYSLZIFK-MRVWCRGKSA-N 2 2 254.374 0.600 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC[C@@]1(O)CCOC1 ZINC000651944267 411965339 /nfs/dbraw/zinc/96/53/39/411965339.db2.gz RALSXHGYSLZIFK-MRVWCRGKSA-N 2 2 254.374 0.600 20 0 CCADLP CCO[C@@H]1C[N@H+](CCCCS(C)(=O)=O)C[C@H]1C[NH3+] ZINC000652356746 412036317 /nfs/dbraw/zinc/03/63/17/412036317.db2.gz DTMLDSGZNDPBTR-VXGBXAGGSA-N 2 2 278.418 0.107 20 0 CCADLP CCO[C@@H]1C[N@@H+](CCCCS(C)(=O)=O)C[C@H]1C[NH3+] ZINC000652356746 412036321 /nfs/dbraw/zinc/03/63/21/412036321.db2.gz DTMLDSGZNDPBTR-VXGBXAGGSA-N 2 2 278.418 0.107 20 0 CCADLP CC(=O)NCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000020358492 171157379 /nfs/dbraw/zinc/15/73/79/171157379.db2.gz ZCKFSFAVKLNNJQ-OAHLLOKOSA-N 2 2 261.369 0.987 20 0 CCADLP CC(=O)NCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000020358492 171157380 /nfs/dbraw/zinc/15/73/80/171157380.db2.gz ZCKFSFAVKLNNJQ-OAHLLOKOSA-N 2 2 261.369 0.987 20 0 CCADLP O=C(c1ccc2c[nH+]cn2c1)N1CC[NH+](CCO)CC1 ZINC000284642484 196101523 /nfs/dbraw/zinc/10/15/23/196101523.db2.gz XASBLDKQTWBFBH-UHFFFAOYSA-N 2 2 274.324 0.084 20 0 CCADLP COc1ccc(OC)c(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000653057297 412203745 /nfs/dbraw/zinc/20/37/45/412203745.db2.gz XXPQRJHLLAUGIG-LLVKDONJSA-N 2 2 281.356 0.921 20 0 CCADLP COc1ccc(OC)c(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000653057298 412204219 /nfs/dbraw/zinc/20/42/19/412204219.db2.gz XXPQRJHLLAUGIG-NSHDSACASA-N 2 2 281.356 0.921 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CCO1 ZINC000653056197 412204529 /nfs/dbraw/zinc/20/45/29/412204529.db2.gz YCYRGDLWALDSSJ-AAEUAGOBSA-N 2 2 292.383 0.337 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000653058428 412206052 /nfs/dbraw/zinc/20/60/52/412206052.db2.gz SSCQSNVEBAGTOZ-VXGBXAGGSA-N 2 2 293.367 0.222 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCOc1ccccc1 ZINC000653058817 412206440 /nfs/dbraw/zinc/20/64/40/412206440.db2.gz HGYPDQZCOAKZQJ-CYBMUJFWSA-N 2 2 265.357 0.461 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000653065594 412206900 /nfs/dbraw/zinc/20/69/00/412206900.db2.gz LNGLDTRHZWAROS-IHRRRGAJSA-N 2 2 261.369 0.938 20 0 CCADLP CO[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1ccccc1 ZINC000653064429 412207694 /nfs/dbraw/zinc/20/76/94/412207694.db2.gz ULYUMRNADDCQEI-KBPBESRZSA-N 2 2 279.384 0.769 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCOc2ccccc21 ZINC000653072135 412208234 /nfs/dbraw/zinc/20/82/34/412208234.db2.gz FRAXMJYCEGUHKA-LLVKDONJSA-N 2 2 263.341 0.691 20 0 CCADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCCNc1cccc[nH+]1 ZINC000284836386 196141136 /nfs/dbraw/zinc/14/11/36/196141136.db2.gz KSNOEGDQBNULKT-YPMHNXCESA-N 2 2 278.356 0.377 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCOC[C@@H]1c1ccccc1 ZINC000653097249 412216946 /nfs/dbraw/zinc/21/69/46/412216946.db2.gz HSPXXJDRJRRZKU-HUUCEWRRSA-N 2 2 291.395 0.866 20 0 CCADLP CN(CCOCc1ccccc1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653103702 412218594 /nfs/dbraw/zinc/21/85/94/412218594.db2.gz PSQHGZRIDFPVQP-HNNXBMFYSA-N 2 2 293.411 0.941 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1cn2ccccc2n1 ZINC000653105660 412220250 /nfs/dbraw/zinc/22/02/50/412220250.db2.gz FHRYQFUGNDKUCJ-LBPRGKRZSA-N 2 2 275.356 0.230 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@H]2CCC[NH2+]CC2)CCO1 ZINC000653114564 412225164 /nfs/dbraw/zinc/22/51/64/412225164.db2.gz MRHWHKKAOFJZFL-ZDUSSCGKSA-N 2 2 283.416 0.603 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@H]2CCC[NH2+]CC2)CCO1 ZINC000653114564 412225168 /nfs/dbraw/zinc/22/51/68/412225168.db2.gz MRHWHKKAOFJZFL-ZDUSSCGKSA-N 2 2 283.416 0.603 20 0 CCADLP Cc1ccc(CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)cn1 ZINC000653114562 412225587 /nfs/dbraw/zinc/22/55/87/412225587.db2.gz MNOADIOVDDCYOL-ZDUSSCGKSA-N 2 2 264.373 0.328 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000653114109 412226383 /nfs/dbraw/zinc/22/63/83/412226383.db2.gz YJUCYDQNVAQINQ-ZIAGYGMSSA-N 3 2 282.432 0.352 20 0 CCADLP C[C@@H]1[NH2+]CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1C ZINC000653135583 412237243 /nfs/dbraw/zinc/23/72/43/412237243.db2.gz JDSIACKLUPMDNK-RYUDHWBXSA-N 2 2 276.384 0.971 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N(CCC[NH3+])CC1CCCC1 ZINC000653140269 412239956 /nfs/dbraw/zinc/23/99/56/412239956.db2.gz SJGHJKHTXKWWCQ-CQSZACIVSA-N 3 2 284.448 0.633 20 0 CCADLP CN(CCc1ccccn1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653148651 412241883 /nfs/dbraw/zinc/24/18/83/412241883.db2.gz GWUFQKBBLQWKSZ-ZDUSSCGKSA-N 2 2 264.373 0.362 20 0 CCADLP COCCN(Cc1ccccn1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653148761 412242016 /nfs/dbraw/zinc/24/20/16/412242016.db2.gz KRDQDJHPHBLUHD-AWEZNQCLSA-N 2 2 294.399 0.336 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCc2cc(F)ccc2C1 ZINC000653150597 412243175 /nfs/dbraw/zinc/24/31/75/412243175.db2.gz GVVKSZYIQLHUAA-CQSZACIVSA-N 2 2 279.359 0.989 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCc2ccsc2C1 ZINC000653150920 412243781 /nfs/dbraw/zinc/24/37/81/412243781.db2.gz RYAYBWWEOMTHSA-LLVKDONJSA-N 2 2 267.398 0.912 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000653158487 412247117 /nfs/dbraw/zinc/24/71/17/412247117.db2.gz ASFVHERNYQPCRZ-RWMBFGLXSA-N 2 2 285.432 0.521 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC1CCC(F)CC1 ZINC000653167829 412249328 /nfs/dbraw/zinc/24/93/28/412249328.db2.gz FRSRUZSLJZVLKS-MCIGGMRASA-N 2 2 259.369 0.910 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(OC(C)C)CC1 ZINC000653554807 412317549 /nfs/dbraw/zinc/31/75/49/412317549.db2.gz YBDNBUOFECMFNR-CQSZACIVSA-N 2 2 288.432 0.815 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(OC(C)C)CC1 ZINC000653554807 412317550 /nfs/dbraw/zinc/31/75/50/412317550.db2.gz YBDNBUOFECMFNR-CQSZACIVSA-N 2 2 288.432 0.815 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCOCC2(CCC2)C1 ZINC000653617426 412324113 /nfs/dbraw/zinc/32/41/13/412324113.db2.gz HMCRICZYBIKBNN-ZDUSSCGKSA-N 2 2 256.390 0.802 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCOCC2(CCC2)C1 ZINC000653617426 412324117 /nfs/dbraw/zinc/32/41/17/412324117.db2.gz HMCRICZYBIKBNN-ZDUSSCGKSA-N 2 2 256.390 0.802 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCOCC2(CCC2)C1 ZINC000653617426 412324119 /nfs/dbraw/zinc/32/41/19/412324119.db2.gz HMCRICZYBIKBNN-ZDUSSCGKSA-N 2 2 256.390 0.802 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCOCC2(CCC2)C1 ZINC000653617426 412324122 /nfs/dbraw/zinc/32/41/22/412324122.db2.gz HMCRICZYBIKBNN-ZDUSSCGKSA-N 2 2 256.390 0.802 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cnccc1C ZINC000653612392 412324763 /nfs/dbraw/zinc/32/47/63/412324763.db2.gz NTZFGPOBEULBGZ-ZIAGYGMSSA-N 2 2 281.400 0.980 20 0 CCADLP Cn1cnnc1N1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000653817539 412350856 /nfs/dbraw/zinc/35/08/56/412350856.db2.gz KSLJPVHQYPACCU-CQSZACIVSA-N 2 2 292.431 0.812 20 0 CCADLP Cn1cnnc1N1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000653817539 412350857 /nfs/dbraw/zinc/35/08/57/412350857.db2.gz KSLJPVHQYPACCU-CQSZACIVSA-N 2 2 292.431 0.812 20 0 CCADLP C[C@@H](CNC(=O)N1CC[NH+](C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654647755 412422827 /nfs/dbraw/zinc/42/28/27/412422827.db2.gz ONHGUPPEFKZWKR-MELADBBJSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@@H](CNC(=O)N1CC[NH+](C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654647755 412422829 /nfs/dbraw/zinc/42/28/29/412422829.db2.gz ONHGUPPEFKZWKR-MELADBBJSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000654737019 412433790 /nfs/dbraw/zinc/43/37/90/412433790.db2.gz JTBNUBUVHYKPDX-GHMZBOCLSA-N 2 2 250.346 0.799 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000654737019 412433792 /nfs/dbraw/zinc/43/37/92/412433792.db2.gz JTBNUBUVHYKPDX-GHMZBOCLSA-N 2 2 250.346 0.799 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000654737019 412433795 /nfs/dbraw/zinc/43/37/95/412433795.db2.gz JTBNUBUVHYKPDX-GHMZBOCLSA-N 2 2 250.346 0.799 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000654737019 412433797 /nfs/dbraw/zinc/43/37/97/412433797.db2.gz JTBNUBUVHYKPDX-GHMZBOCLSA-N 2 2 250.346 0.799 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000654846302 412443644 /nfs/dbraw/zinc/44/36/44/412443644.db2.gz UWLHRMPBVWIXFP-CQSZACIVSA-N 2 2 292.383 0.515 20 0 CCADLP C[C@H](C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1)[NH+]1CC(C)C1 ZINC000655065270 412472050 /nfs/dbraw/zinc/47/20/50/412472050.db2.gz HROXUJBNBVHKMQ-RDBSUJKOSA-N 2 2 281.400 0.258 20 0 CCADLP C[C@H](C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1)[NH+]1CC(C)C1 ZINC000655065270 412472052 /nfs/dbraw/zinc/47/20/52/412472052.db2.gz HROXUJBNBVHKMQ-RDBSUJKOSA-N 2 2 281.400 0.258 20 0 CCADLP [NH3+]CC12CC(C1)CN2C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000659468839 413525442 /nfs/dbraw/zinc/52/54/42/413525442.db2.gz CTWCQXMNZYNUHI-UHFFFAOYSA-N 2 2 285.351 0.967 20 0 CCADLP [NH3+]CC12CC(C1)CN2C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000659483608 413537117 /nfs/dbraw/zinc/53/71/17/413537117.db2.gz BHKFWLPDPUAJTH-IQLKVPPVSA-N 2 2 275.356 0.331 20 0 CCADLP O=C(NCC12CC(C1)C[NH2+]2)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000659494038 413546263 /nfs/dbraw/zinc/54/62/63/413546263.db2.gz MFRDRRBCMGGEDV-XIRUVYRFSA-N 2 2 275.356 0.318 20 0 CCADLP O=C(NCC12CC(C1)C[NH2+]2)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000659494038 413546270 /nfs/dbraw/zinc/54/62/70/413546270.db2.gz MFRDRRBCMGGEDV-XIRUVYRFSA-N 2 2 275.356 0.318 20 0 CCADLP CC(C)[C@H]([NH3+])CCNC(=O)NCCc1cn(C)c[nH+]1 ZINC000659503334 413557481 /nfs/dbraw/zinc/55/74/81/413557481.db2.gz QPGHCQBULDNHCU-GFCCVEGCSA-N 2 2 267.377 0.635 20 0 CCADLP O=C(NC[C@H]1CCCC[NH2+]1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659507322 413567981 /nfs/dbraw/zinc/56/79/81/413567981.db2.gz HWNCOYVVOIXNKQ-ZIAGYGMSSA-N 2 2 296.415 0.245 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC[NH2+]1 ZINC000659543547 413631935 /nfs/dbraw/zinc/63/19/35/413631935.db2.gz QXCAYGFYDBMWHR-HZSPNIEDSA-N 2 2 296.415 0.243 20 0 CCADLP C[C@H](CCCC[NH3+])NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659550428 413641615 /nfs/dbraw/zinc/64/16/15/413641615.db2.gz XLRIJHFGLBVMPG-KGLIPLIRSA-N 2 2 298.431 0.620 20 0 CCADLP C[C@H](NC(=O)N[C@H]1CCC[NH2+]CC1)c1[nH+]ccn1C ZINC000659536306 413621862 /nfs/dbraw/zinc/62/18/62/413621862.db2.gz NCOHZEIPTXEBNU-QWRGUYRKSA-N 2 2 265.361 0.922 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC[C@@]2(C)CC2(F)F)[C@H](C[NH3+])C1 ZINC000659602667 413683879 /nfs/dbraw/zinc/68/38/79/413683879.db2.gz IXRPGTMQCYQWFF-PWSUYJOCSA-N 2 2 290.358 0.706 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC[C@@]2(C)CC2(F)F)[C@H](C[NH3+])C1 ZINC000659602667 413683889 /nfs/dbraw/zinc/68/38/89/413683889.db2.gz IXRPGTMQCYQWFF-PWSUYJOCSA-N 2 2 290.358 0.706 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@]2(C)CC2(F)F)[C@H](C[NH3+])C1 ZINC000659600065 413683928 /nfs/dbraw/zinc/68/39/28/413683928.db2.gz KHLQRJYZUBKMOK-KOLCDFICSA-N 2 2 276.331 0.316 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@]2(C)CC2(F)F)[C@H](C[NH3+])C1 ZINC000659600065 413683937 /nfs/dbraw/zinc/68/39/37/413683937.db2.gz KHLQRJYZUBKMOK-KOLCDFICSA-N 2 2 276.331 0.316 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000659646556 413750571 /nfs/dbraw/zinc/75/05/71/413750571.db2.gz IENTVRFGNJTTHE-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP CCC(=O)N[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000659863771 413924774 /nfs/dbraw/zinc/92/47/74/413924774.db2.gz JEWVHHKWVCSQJC-KBPBESRZSA-N 2 2 285.432 0.678 20 0 CCADLP CCC(=O)N[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000659863771 413924782 /nfs/dbraw/zinc/92/47/82/413924782.db2.gz JEWVHHKWVCSQJC-KBPBESRZSA-N 2 2 285.432 0.678 20 0 CCADLP CCC(=O)N[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000659863771 413924787 /nfs/dbraw/zinc/92/47/87/413924787.db2.gz JEWVHHKWVCSQJC-KBPBESRZSA-N 2 2 285.432 0.678 20 0 CCADLP CCC(=O)N[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000659863771 413924791 /nfs/dbraw/zinc/92/47/91/413924791.db2.gz JEWVHHKWVCSQJC-KBPBESRZSA-N 2 2 285.432 0.678 20 0 CCADLP CO[C@@H](C[NH+]1CCN(C(=O)C[NH+](C)C)CC1)C1CCC1 ZINC000659837922 413905153 /nfs/dbraw/zinc/90/51/53/413905153.db2.gz LAGIBRFPHWCMJT-AWEZNQCLSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(=O)[nH]n1 ZINC000285578648 196332928 /nfs/dbraw/zinc/33/29/28/196332928.db2.gz IKVZBBCOQQPALB-NSHDSACASA-N 2 2 250.346 0.906 20 0 CCADLP COC[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)OC ZINC000659956964 414001324 /nfs/dbraw/zinc/00/13/24/414001324.db2.gz WWKBOWKRDLVWEN-ZIAGYGMSSA-N 2 2 272.389 0.302 20 0 CCADLP COC[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)OC ZINC000659956964 414001330 /nfs/dbraw/zinc/00/13/30/414001330.db2.gz WWKBOWKRDLVWEN-ZIAGYGMSSA-N 2 2 272.389 0.302 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCN1C(=O)CN(C)C1=O ZINC000659995107 414032909 /nfs/dbraw/zinc/03/29/09/414032909.db2.gz RDBCRFITAXJAKS-OLZOCXBDSA-N 2 2 294.399 0.439 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCN1C(=O)CN(C)C1=O ZINC000659995107 414032919 /nfs/dbraw/zinc/03/29/19/414032919.db2.gz RDBCRFITAXJAKS-OLZOCXBDSA-N 2 2 294.399 0.439 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCN1C(=O)CN(C)C1=O ZINC000659995107 414032927 /nfs/dbraw/zinc/03/29/27/414032927.db2.gz RDBCRFITAXJAKS-OLZOCXBDSA-N 2 2 294.399 0.439 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCN1C(=O)CN(C)C1=O ZINC000659995107 414032933 /nfs/dbraw/zinc/03/29/33/414032933.db2.gz RDBCRFITAXJAKS-OLZOCXBDSA-N 2 2 294.399 0.439 20 0 CCADLP CCCN(C(=O)CCn1cc[nH+]c1)[C@H]1CC[NH2+]C1 ZINC000037540076 173261431 /nfs/dbraw/zinc/26/14/31/173261431.db2.gz MCBDOZFOSBNAJC-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000660128290 414131525 /nfs/dbraw/zinc/13/15/25/414131525.db2.gz KIDOCUUFDDEGLR-LLVKDONJSA-N 2 2 291.355 0.103 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000660128290 414131532 /nfs/dbraw/zinc/13/15/32/414131532.db2.gz KIDOCUUFDDEGLR-LLVKDONJSA-N 2 2 291.355 0.103 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000660214526 414197014 /nfs/dbraw/zinc/19/70/14/414197014.db2.gz CWVAWWRWRJWVEZ-UHFFFAOYSA-N 2 2 298.431 0.300 20 0 CCADLP CC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660472275 414346143 /nfs/dbraw/zinc/34/61/43/414346143.db2.gz IPWAFIZQVRMLIF-ZIAGYGMSSA-N 2 2 256.390 0.944 20 0 CCADLP CC[C@@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660472275 414346150 /nfs/dbraw/zinc/34/61/50/414346150.db2.gz IPWAFIZQVRMLIF-ZIAGYGMSSA-N 2 2 256.390 0.944 20 0 CCADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](C[C@@]2(O)CCCOC2)CC1 ZINC000660590653 414407494 /nfs/dbraw/zinc/40/74/94/414407494.db2.gz PQNYUUYNVBYKRH-ZBFHGGJFSA-N 2 2 298.427 0.713 20 0 CCADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](C[C@@]2(O)CCCOC2)CC1 ZINC000660590653 414407498 /nfs/dbraw/zinc/40/74/98/414407498.db2.gz PQNYUUYNVBYKRH-ZBFHGGJFSA-N 2 2 298.427 0.713 20 0 CCADLP CCN(C)C(=O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660659784 414433129 /nfs/dbraw/zinc/43/31/29/414433129.db2.gz QWNANCHBYDKUMD-AWEZNQCLSA-N 2 2 253.390 0.882 20 0 CCADLP CCN(C)C(=O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660659784 414433133 /nfs/dbraw/zinc/43/31/33/414433133.db2.gz QWNANCHBYDKUMD-AWEZNQCLSA-N 2 2 253.390 0.882 20 0 CCADLP CCN(C)C(=O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660659784 414433139 /nfs/dbraw/zinc/43/31/39/414433139.db2.gz QWNANCHBYDKUMD-AWEZNQCLSA-N 2 2 253.390 0.882 20 0 CCADLP CCN(C)C(=O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660659784 414433142 /nfs/dbraw/zinc/43/31/42/414433142.db2.gz QWNANCHBYDKUMD-AWEZNQCLSA-N 2 2 253.390 0.882 20 0 CCADLP CC(C)C[NH2+]C1(CO)CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000660694659 414444417 /nfs/dbraw/zinc/44/44/17/414444417.db2.gz FCGLSSAGPZJZBS-ZDUSSCGKSA-N 2 2 283.416 0.338 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)NCc2[nH+]ccn2C)C1 ZINC000660705388 414454444 /nfs/dbraw/zinc/45/44/44/414454444.db2.gz LKQBUOKEEDQZOW-LLVKDONJSA-N 2 2 265.361 0.704 20 0 CCADLP CNC(=O)NC1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000660807328 414487894 /nfs/dbraw/zinc/48/78/94/414487894.db2.gz FNOSFULPNDFCFH-CYBMUJFWSA-N 2 2 286.420 0.081 20 0 CCADLP CNC(=O)NC1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000660807328 414487897 /nfs/dbraw/zinc/48/78/97/414487897.db2.gz FNOSFULPNDFCFH-CYBMUJFWSA-N 2 2 286.420 0.081 20 0 CCADLP Cc1nnc([C@H]2CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C2)[nH]1 ZINC000660806923 414488215 /nfs/dbraw/zinc/48/82/15/414488215.db2.gz ZDVGQCFGUJDLBP-QWHCGFSZSA-N 2 2 281.404 0.604 20 0 CCADLP Cc1nnc([C@H]2CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C2)[nH]1 ZINC000660806923 414488219 /nfs/dbraw/zinc/48/82/19/414488219.db2.gz ZDVGQCFGUJDLBP-QWHCGFSZSA-N 2 2 281.404 0.604 20 0 CCADLP Cc1nnc([C@H]2CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C2)[nH]1 ZINC000660806923 414488221 /nfs/dbraw/zinc/48/82/21/414488221.db2.gz ZDVGQCFGUJDLBP-QWHCGFSZSA-N 2 2 281.404 0.604 20 0 CCADLP Cc1nnc([C@H]2CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C2)[nH]1 ZINC000660806923 414488225 /nfs/dbraw/zinc/48/82/25/414488225.db2.gz ZDVGQCFGUJDLBP-QWHCGFSZSA-N 2 2 281.404 0.604 20 0 CCADLP C[C@@H]1C[NH+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H](C)C1=O ZINC000661545052 414640385 /nfs/dbraw/zinc/64/03/85/414640385.db2.gz PTDPEBNMTMMJMP-CHWSQXEVSA-N 2 2 281.400 0.307 20 0 CCADLP NS(=O)(=O)c1cc(C[N@@H+]2C[C@H]3CCC[C@@H]([NH3+])[C@@H]3C2)co1 ZINC000662266555 414703063 /nfs/dbraw/zinc/70/30/63/414703063.db2.gz NARHIGBEVQDCTF-IJLUTSLNSA-N 2 2 299.396 0.486 20 0 CCADLP NS(=O)(=O)c1cc(C[N@H+]2C[C@H]3CCC[C@@H]([NH3+])[C@@H]3C2)co1 ZINC000662266555 414703064 /nfs/dbraw/zinc/70/30/64/414703064.db2.gz NARHIGBEVQDCTF-IJLUTSLNSA-N 2 2 299.396 0.486 20 0 CCADLP C(C[NH+]1CCCC1)OC1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662266095 414703388 /nfs/dbraw/zinc/70/33/88/414703388.db2.gz XJWPSWXXEUOHIU-MRXNPFEDSA-N 3 2 297.443 0.552 20 0 CCADLP C([NH2+][C@H]1CCCC12CCOCC2)[C@@H]1C[NH2+]CCO1 ZINC000662281733 414705754 /nfs/dbraw/zinc/70/57/54/414705754.db2.gz LLIOMDVQTPAUAB-STQMWFEESA-N 2 2 254.374 0.914 20 0 CCADLP CNS(=O)(=O)c1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000662284967 414706187 /nfs/dbraw/zinc/70/61/87/414706187.db2.gz SLGCFBVFGQRFST-AAEUAGOBSA-N 2 2 297.424 0.906 20 0 CCADLP CNS(=O)(=O)c1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000662284967 414706188 /nfs/dbraw/zinc/70/61/88/414706188.db2.gz SLGCFBVFGQRFST-AAEUAGOBSA-N 2 2 297.424 0.906 20 0 CCADLP C[C@@H]1CCCCN1C(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662286380 414706579 /nfs/dbraw/zinc/70/65/79/414706579.db2.gz SYIWKHJJJAERGB-GFCCVEGCSA-N 2 2 269.389 0.092 20 0 CCADLP CC[C@@H](CC(F)F)C[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000662286259 414706839 /nfs/dbraw/zinc/70/68/39/414706839.db2.gz PFNLJYVTWIGMPF-VHSXEESVSA-N 2 2 254.321 0.282 20 0 CCADLP CC[C@@H](CC(F)F)C[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000662286259 414706840 /nfs/dbraw/zinc/70/68/40/414706840.db2.gz PFNLJYVTWIGMPF-VHSXEESVSA-N 2 2 254.321 0.282 20 0 CCADLP C[N@H+](CCc1nnnn1-c1ccccc1)CC(C)(C)[NH3+] ZINC000662292245 414707690 /nfs/dbraw/zinc/70/76/90/414707690.db2.gz FBSZHQVOBRNOCG-UHFFFAOYSA-N 2 2 274.372 0.874 20 0 CCADLP C[N@@H+](CCc1nnnn1-c1ccccc1)CC(C)(C)[NH3+] ZINC000662292245 414707691 /nfs/dbraw/zinc/70/76/91/414707691.db2.gz FBSZHQVOBRNOCG-UHFFFAOYSA-N 2 2 274.372 0.874 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)n1 ZINC000662310207 414709036 /nfs/dbraw/zinc/70/90/36/414709036.db2.gz HVYURWSTCGQGFR-ZANVPECISA-N 2 2 266.345 0.732 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@H+]2C[C@H]3COC[C@]3(C)C2)n1 ZINC000662310207 414709037 /nfs/dbraw/zinc/70/90/37/414709037.db2.gz HVYURWSTCGQGFR-ZANVPECISA-N 2 2 266.345 0.732 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)n1 ZINC000662318172 414709532 /nfs/dbraw/zinc/70/95/32/414709532.db2.gz WZQDGBGSYNGMPC-UWVGGRQHSA-N 2 2 266.345 0.732 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)n1 ZINC000662318172 414709533 /nfs/dbraw/zinc/70/95/33/414709533.db2.gz WZQDGBGSYNGMPC-UWVGGRQHSA-N 2 2 266.345 0.732 20 0 CCADLP CC(C)(C)c1nnc2n1CC[N@@H+](CCN1CC[NH2+]CC1)C2 ZINC000662325003 414709716 /nfs/dbraw/zinc/70/97/16/414709716.db2.gz AKHOUCPBPMDHGQ-UHFFFAOYSA-N 2 2 292.431 0.296 20 0 CCADLP CC(C)(C)c1nnc2n1CC[N@H+](CCN1CC[NH2+]CC1)C2 ZINC000662325003 414709717 /nfs/dbraw/zinc/70/97/17/414709717.db2.gz AKHOUCPBPMDHGQ-UHFFFAOYSA-N 2 2 292.431 0.296 20 0 CCADLP O=C(C[C@@H]1[NH2+]Cc2ccccc21)NCC[NH+]1CCOCC1 ZINC000662349472 414711444 /nfs/dbraw/zinc/71/14/44/414711444.db2.gz AZILMIRFXPQUOW-HNNXBMFYSA-N 2 2 289.379 0.669 20 0 CCADLP FC(F)(F)C[C@H]1C[N@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000662326115 414710456 /nfs/dbraw/zinc/71/04/56/414710456.db2.gz OEXBXIWVIWCXDT-NSHDSACASA-N 2 2 281.322 0.545 20 0 CCADLP FC(F)(F)C[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000662326115 414710457 /nfs/dbraw/zinc/71/04/57/414710457.db2.gz OEXBXIWVIWCXDT-NSHDSACASA-N 2 2 281.322 0.545 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@H](CN2CCCC2=O)C1)C1CC1 ZINC000662053329 414688704 /nfs/dbraw/zinc/68/87/04/414688704.db2.gz HSMWQJUYRLHZBR-UKRRQHHQSA-N 2 2 295.427 0.386 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@H](CN2CCCC2=O)C1)C1CC1 ZINC000662053329 414688705 /nfs/dbraw/zinc/68/87/05/414688705.db2.gz HSMWQJUYRLHZBR-UKRRQHHQSA-N 2 2 295.427 0.386 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@H](CN2CCCC2=O)C1)C1CC1 ZINC000662053329 414688706 /nfs/dbraw/zinc/68/87/06/414688706.db2.gz HSMWQJUYRLHZBR-UKRRQHHQSA-N 2 2 295.427 0.386 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@H](CN2CCCC2=O)C1)C1CC1 ZINC000662053329 414688707 /nfs/dbraw/zinc/68/87/07/414688707.db2.gz HSMWQJUYRLHZBR-UKRRQHHQSA-N 2 2 295.427 0.386 20 0 CCADLP O=C1CCCN1C[C@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000662053119 414689080 /nfs/dbraw/zinc/68/90/80/414689080.db2.gz SFWAXLNPYWVQIG-ZDUSSCGKSA-N 2 2 262.357 0.827 20 0 CCADLP O=C1CCCN1C[C@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000662053119 414689081 /nfs/dbraw/zinc/68/90/81/414689081.db2.gz SFWAXLNPYWVQIG-ZDUSSCGKSA-N 2 2 262.357 0.827 20 0 CCADLP Oc1ccc2c(c1)CC[N@@H+](C[C@@H]1C[NH2+]CCO1)CC2 ZINC000662253740 414699912 /nfs/dbraw/zinc/69/99/12/414699912.db2.gz KFMSLPNEHWRHPJ-HNNXBMFYSA-N 2 2 262.353 0.781 20 0 CCADLP Oc1ccc2c(c1)CC[N@H+](C[C@@H]1C[NH2+]CCO1)CC2 ZINC000662253740 414699913 /nfs/dbraw/zinc/69/99/13/414699913.db2.gz KFMSLPNEHWRHPJ-HNNXBMFYSA-N 2 2 262.353 0.781 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000662257696 414700550 /nfs/dbraw/zinc/70/05/50/414700550.db2.gz UMMVFHZSBYHDFC-KGLIPLIRSA-N 2 2 254.374 0.867 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000662257696 414700551 /nfs/dbraw/zinc/70/05/51/414700551.db2.gz UMMVFHZSBYHDFC-KGLIPLIRSA-N 2 2 254.374 0.867 20 0 CCADLP CC(C)C[C@H](C[NH3+])CC(=O)N(C)CC[NH+]1CCOCC1 ZINC000662438760 414718284 /nfs/dbraw/zinc/71/82/84/414718284.db2.gz AWVMMYHZXNLQKT-AWEZNQCLSA-N 2 2 285.432 0.788 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662584073 414730212 /nfs/dbraw/zinc/73/02/12/414730212.db2.gz KYEJUAJIYOZAED-WUHRBBMRSA-N 2 2 271.405 0.598 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662584073 414730213 /nfs/dbraw/zinc/73/02/13/414730213.db2.gz KYEJUAJIYOZAED-WUHRBBMRSA-N 2 2 271.405 0.598 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662629454 414734454 /nfs/dbraw/zinc/73/44/54/414734454.db2.gz FSUBPBDYNHLZKD-RVMXOQNASA-N 2 2 271.405 0.585 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662629454 414734455 /nfs/dbraw/zinc/73/44/55/414734455.db2.gz FSUBPBDYNHLZKD-RVMXOQNASA-N 2 2 271.405 0.585 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)CC2([NH3+])CCC2)[C@H](C)CO1 ZINC000662629026 414734479 /nfs/dbraw/zinc/73/44/79/414734479.db2.gz ACZYNNOXGJTHRT-VXGBXAGGSA-N 2 2 269.389 0.483 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)CC2([NH3+])CCC2)[C@H](C)CO1 ZINC000662629026 414734480 /nfs/dbraw/zinc/73/44/80/414734480.db2.gz ACZYNNOXGJTHRT-VXGBXAGGSA-N 2 2 269.389 0.483 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)C2(C[NH3+])CCCC2)[C@@H](C)CO1 ZINC000662631036 414734760 /nfs/dbraw/zinc/73/47/60/414734760.db2.gz PGNRFQFTBWUOFD-STQMWFEESA-N 2 2 283.416 0.731 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)C2(C[NH3+])CCCC2)[C@@H](C)CO1 ZINC000662631036 414734761 /nfs/dbraw/zinc/73/47/61/414734761.db2.gz PGNRFQFTBWUOFD-STQMWFEESA-N 2 2 283.416 0.731 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000662666182 414738813 /nfs/dbraw/zinc/73/88/13/414738813.db2.gz QWSNQMKDNQNLHE-VOAKCMCISA-N 2 2 253.390 0.818 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)C2([NH3+])CC3(CCC3)C2)CCO1 ZINC000662701231 414743067 /nfs/dbraw/zinc/74/30/67/414743067.db2.gz MXIIFSRTIAQCCD-UHFFFAOYSA-N 2 2 295.427 0.875 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)C2([NH3+])CC3(CCC3)C2)CCO1 ZINC000662701231 414743068 /nfs/dbraw/zinc/74/30/68/414743068.db2.gz MXIIFSRTIAQCCD-UHFFFAOYSA-N 2 2 295.427 0.875 20 0 CCADLP CC1(C)CC[NH2+][C@@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000662701309 414743238 /nfs/dbraw/zinc/74/32/38/414743238.db2.gz OFIJCVHAEXJECL-GFCCVEGCSA-N 2 2 283.416 0.602 20 0 CCADLP CC1(C)CC[NH2+][C@@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000662701309 414743239 /nfs/dbraw/zinc/74/32/39/414743239.db2.gz OFIJCVHAEXJECL-GFCCVEGCSA-N 2 2 283.416 0.602 20 0 CCADLP O=C(C[C@@H]1CC[NH2+]C1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662703982 414743746 /nfs/dbraw/zinc/74/37/46/414743746.db2.gz QMOIETRTNJIRIT-HNNXBMFYSA-N 2 2 295.427 0.557 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662702674 414743812 /nfs/dbraw/zinc/74/38/12/414743812.db2.gz CESGTSFJTKKHHX-CYBMUJFWSA-N 2 2 283.416 0.413 20 0 CCADLP CC(C)[C@H]([NH3+])CCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000662725973 414747085 /nfs/dbraw/zinc/74/70/85/414747085.db2.gz CFOCZQKKVBBRBR-LLVKDONJSA-N 2 2 288.355 0.766 20 0 CCADLP Cc1cccn2cc(CNC(=O)[C@@H]3CCO[C@H]3C[NH3+])[nH+]c12 ZINC000662726937 414747113 /nfs/dbraw/zinc/74/71/13/414747113.db2.gz KKMSHNPQDBAMMA-OLZOCXBDSA-N 2 2 288.351 0.623 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3C[C@H]([NH3+])C3)C2)CC1 ZINC000662735347 414749234 /nfs/dbraw/zinc/74/92/34/414749234.db2.gz NBSOQHWJUCOJNR-JHJVBQTASA-N 3 2 280.416 0.008 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3C[C@H]([NH3+])C3)C2)CC1 ZINC000662735347 414749237 /nfs/dbraw/zinc/74/92/37/414749237.db2.gz NBSOQHWJUCOJNR-JHJVBQTASA-N 3 2 280.416 0.008 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662784867 414792931 /nfs/dbraw/zinc/79/29/31/414792931.db2.gz DZQXSFXVWMZKGW-LLVKDONJSA-N 2 2 250.346 0.767 20 0 CCADLP [NH3+][C@H]1C[C@H](C(=O)N2CCC[N@H+](Cc3cscn3)CC2)C1 ZINC000662790392 414797726 /nfs/dbraw/zinc/79/77/26/414797726.db2.gz JEPKIMWYDVZJRP-HAQNSBGRSA-N 2 2 294.424 0.915 20 0 CCADLP [NH3+][C@H]1C[C@H](C(=O)N2CCC[N@@H+](Cc3cscn3)CC2)C1 ZINC000662790392 414797729 /nfs/dbraw/zinc/79/77/29/414797729.db2.gz JEPKIMWYDVZJRP-HAQNSBGRSA-N 2 2 294.424 0.915 20 0 CCADLP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000662796424 414802032 /nfs/dbraw/zinc/80/20/32/414802032.db2.gz ZVNMJHIUSUDPAP-AVGNSLFASA-N 2 2 290.367 0.140 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662798600 414802042 /nfs/dbraw/zinc/80/20/42/414802042.db2.gz DWZFEYIJQXQETD-NWDGAFQWSA-N 2 2 266.345 0.095 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662835426 414827224 /nfs/dbraw/zinc/82/72/24/414827224.db2.gz OBKIONWHNDGWMC-BFHYXJOUSA-N 3 2 282.432 0.399 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662835426 414827228 /nfs/dbraw/zinc/82/72/28/414827228.db2.gz OBKIONWHNDGWMC-BFHYXJOUSA-N 3 2 282.432 0.399 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)CCNC2=O ZINC000662848598 414839460 /nfs/dbraw/zinc/83/94/60/414839460.db2.gz FFFZLJUHUJLQMX-ZDUSSCGKSA-N 2 2 290.367 0.190 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000662968705 414922904 /nfs/dbraw/zinc/92/29/04/414922904.db2.gz WENOYMBRZSQLAI-WRWORJQWSA-N 2 2 257.284 0.689 20 0 CCADLP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)[C@@H]1CSC[NH2+]1 ZINC000662886113 414870447 /nfs/dbraw/zinc/87/04/47/414870447.db2.gz ZOKLEEIUXROQCN-QWHCGFSZSA-N 2 2 293.392 0.949 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900372 414881172 /nfs/dbraw/zinc/88/11/72/414881172.db2.gz LCRRFZGTFDLVKY-DZGCQCFKSA-N 3 2 296.459 0.469 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900372 414881177 /nfs/dbraw/zinc/88/11/77/414881177.db2.gz LCRRFZGTFDLVKY-DZGCQCFKSA-N 3 2 296.459 0.469 20 0 CCADLP CN(C(=O)C1([NH3+])CCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899491 414881339 /nfs/dbraw/zinc/88/13/39/414881339.db2.gz DLTJJLWTUBKJLX-AWEZNQCLSA-N 3 2 294.443 0.495 20 0 CCADLP CN(C(=O)C1([NH3+])CCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899491 414881342 /nfs/dbraw/zinc/88/13/42/414881342.db2.gz DLTJJLWTUBKJLX-AWEZNQCLSA-N 3 2 294.443 0.495 20 0 CCADLP C[C@H](NC(=O)[C@]1(C)CCC[NH2+]C1)c1[nH+]ccn1C ZINC000662934397 414901517 /nfs/dbraw/zinc/90/15/17/414901517.db2.gz NVEKMLOWUZCUCU-GXFFZTMASA-N 2 2 250.346 0.987 20 0 CCADLP C[C@H](NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)c1[nH+]ccn1C ZINC000662934416 414903847 /nfs/dbraw/zinc/90/38/47/414903847.db2.gz NZDPPDIKUAWBSV-VHSXEESVSA-N 2 2 288.355 0.711 20 0 CCADLP C[C@]1(NC(=O)Cc2cn3ccccc3[nH+]2)CC[NH2+]C1 ZINC000663010188 414949010 /nfs/dbraw/zinc/94/90/10/414949010.db2.gz IMFIAHFNPCOSPE-AWEZNQCLSA-N 2 2 258.325 0.745 20 0 CCADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC000663364761 415050271 /nfs/dbraw/zinc/05/02/71/415050271.db2.gz LNLTYPCXXMJCLU-UONOGXRCSA-N 2 2 286.416 0.617 20 0 CCADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC000663364761 415050274 /nfs/dbraw/zinc/05/02/74/415050274.db2.gz LNLTYPCXXMJCLU-UONOGXRCSA-N 2 2 286.416 0.617 20 0 CCADLP Cc1cc(CO)cc(NC[C@H](C)N2CC[NH+](C)CC2)[nH+]1 ZINC000663530699 415084249 /nfs/dbraw/zinc/08/42/49/415084249.db2.gz ZNLCHQZHEKSWIH-ZDUSSCGKSA-N 2 2 278.400 0.930 20 0 CCADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)NCCOc2ccccc2)C1 ZINC000044530772 175195161 /nfs/dbraw/zinc/19/51/61/175195161.db2.gz NENWTDHWFBEDRY-CQSZACIVSA-N 2 2 291.395 0.852 20 0 CCADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)NCCOc2ccccc2)C1 ZINC000044530772 175195162 /nfs/dbraw/zinc/19/51/62/175195162.db2.gz NENWTDHWFBEDRY-CQSZACIVSA-N 2 2 291.395 0.852 20 0 CCADLP Cc1nc(N(C)C)nc(NCC[C@@H](C)[NH+](C)C)[nH+]1 ZINC000664242390 415294002 /nfs/dbraw/zinc/29/40/02/415294002.db2.gz CKOUSTBUYMETMR-SECBINFHSA-N 2 2 252.366 0.998 20 0 CCADLP Cc1nc(NCC[C@@H](C)[NH+](C)C)nc(N(C)C)[nH+]1 ZINC000664242390 415294005 /nfs/dbraw/zinc/29/40/05/415294005.db2.gz CKOUSTBUYMETMR-SECBINFHSA-N 2 2 252.366 0.998 20 0 CCADLP CCN(C(=O)N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CC[N@@H+](C)C1 ZINC000664714300 415454077 /nfs/dbraw/zinc/45/40/77/415454077.db2.gz UYZZHOMTRLLHJI-OLZOCXBDSA-N 2 2 291.399 0.934 20 0 CCADLP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000664719767 415455962 /nfs/dbraw/zinc/45/59/62/415455962.db2.gz YMAQUNYYAHYFJO-LBPRGKRZSA-N 3 2 272.437 0.502 20 0 CCADLP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000664719767 415455968 /nfs/dbraw/zinc/45/59/68/415455968.db2.gz YMAQUNYYAHYFJO-LBPRGKRZSA-N 3 2 272.437 0.502 20 0 CCADLP CC[NH+](CC)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000665062160 415528195 /nfs/dbraw/zinc/52/81/95/415528195.db2.gz HRBZOVAQWVVACB-VXGBXAGGSA-N 2 2 264.373 0.982 20 0 CCADLP C[N@@H+]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000665160561 415552772 /nfs/dbraw/zinc/55/27/72/415552772.db2.gz JFFSFOCRAQAVGJ-GFCCVEGCSA-N 2 2 262.357 0.610 20 0 CCADLP C[N@H+]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000665160561 415552778 /nfs/dbraw/zinc/55/27/78/415552778.db2.gz JFFSFOCRAQAVGJ-GFCCVEGCSA-N 2 2 262.357 0.610 20 0 CCADLP NC(=O)c1csc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000665273553 415584292 /nfs/dbraw/zinc/58/42/92/415584292.db2.gz ZDBQKBWCBPXWIR-SFYZADRCSA-N 2 2 254.359 0.459 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000665275810 415588657 /nfs/dbraw/zinc/58/86/57/415588657.db2.gz RWUBNNQEUFRDHV-OUCADQQQSA-N 3 2 255.406 0.955 20 0 CCADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000665294084 415589916 /nfs/dbraw/zinc/58/99/16/415589916.db2.gz HOQXIHCOXRDQJR-RKDXNWHRSA-N 3 2 251.334 0.000 20 0 CCADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)n1 ZINC000665293689 415592108 /nfs/dbraw/zinc/59/21/08/415592108.db2.gz ASTVRYLYKJCRRC-YNEHKIRRSA-N 3 2 291.399 0.651 20 0 CCADLP CCn1nccc1C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000665299754 415593560 /nfs/dbraw/zinc/59/35/60/415593560.db2.gz RZIIPZWCEQJONG-RYUDHWBXSA-N 2 2 252.362 0.760 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000353434749 287318719 /nfs/dbraw/zinc/31/87/19/287318719.db2.gz WGYPRYMNOZSFGP-IHRRRGAJSA-N 2 2 282.432 0.127 20 0 CCADLP Cc1cccc([C@H](CNC(=O)C[NH3+])[NH+]2CCOCC2)c1 ZINC000237726897 292580978 /nfs/dbraw/zinc/58/09/78/292580978.db2.gz KNBNOSQQANSVNK-AWEZNQCLSA-N 2 2 277.368 0.443 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC(C)(F)C3)C2)CC1 ZINC000684266528 545637799 /nfs/dbraw/zinc/63/77/99/545637799.db2.gz XXQUAJYELPBABF-LBPRGKRZSA-N 2 2 298.406 0.908 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC(C)(F)C3)C2)CC1 ZINC000684266528 545637801 /nfs/dbraw/zinc/63/78/01/545637801.db2.gz XXQUAJYELPBABF-LBPRGKRZSA-N 2 2 298.406 0.908 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCCN(C)C2)n1C ZINC000070143807 544448398 /nfs/dbraw/zinc/44/83/98/544448398.db2.gz IKDHACXQZWFJDP-NSHDSACASA-N 2 2 251.378 0.670 20 0 CCADLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)C1CC[NH+](C)CC1 ZINC000068801649 544449078 /nfs/dbraw/zinc/44/90/78/544449078.db2.gz IHLNPRUPIKLOPX-ZFWWWQNUSA-N 3 2 268.449 0.552 20 0 CCADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)C1CC[NH+](C)CC1 ZINC000068801649 544449081 /nfs/dbraw/zinc/44/90/81/544449081.db2.gz IHLNPRUPIKLOPX-ZFWWWQNUSA-N 3 2 268.449 0.552 20 0 CCADLP CC1CC[NH+](CCNC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000077930961 544466575 /nfs/dbraw/zinc/46/65/75/544466575.db2.gz ZLUDUDBQPLQTAA-UHFFFAOYSA-N 2 2 298.431 0.350 20 0 CCADLP Cn1nncc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093865736 544542973 /nfs/dbraw/zinc/54/29/73/544542973.db2.gz IDQRWQVFISQALX-CYBMUJFWSA-N 2 2 259.313 0.863 20 0 CCADLP Cn1nncc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093865736 544542976 /nfs/dbraw/zinc/54/29/76/544542976.db2.gz IDQRWQVFISQALX-CYBMUJFWSA-N 2 2 259.313 0.863 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111244113 544560823 /nfs/dbraw/zinc/56/08/23/544560823.db2.gz ZFACDEXFOWSTEV-KOLCDFICSA-N 2 2 290.289 0.930 20 0 CCADLP CN(C)c1nc(NCC[N@@H+]2CC[C@@H](O)C2)cc[nH+]1 ZINC000624680621 419424797 /nfs/dbraw/zinc/42/47/97/419424797.db2.gz YRXFCYPRCYYZNQ-SNVBAGLBSA-N 2 2 251.334 0.021 20 0 CCADLP CN(C)c1nc(NCC[N@H+]2CC[C@@H](O)C2)cc[nH+]1 ZINC000624680621 419424804 /nfs/dbraw/zinc/42/48/04/419424804.db2.gz YRXFCYPRCYYZNQ-SNVBAGLBSA-N 2 2 251.334 0.021 20 0 CCADLP Cc1cc(CO)cc(NCC[N@@H+]2CC[C@H](O)C2)[nH+]1 ZINC000624777698 419429235 /nfs/dbraw/zinc/42/92/35/419429235.db2.gz VOTPHOBUTXQQCO-LBPRGKRZSA-N 2 2 251.330 0.361 20 0 CCADLP Cc1cc(CO)cc(NCC[N@H+]2CC[C@H](O)C2)[nH+]1 ZINC000624777698 419429240 /nfs/dbraw/zinc/42/92/40/419429240.db2.gz VOTPHOBUTXQQCO-LBPRGKRZSA-N 2 2 251.330 0.361 20 0 CCADLP O=C(NCc1[nH]cc[nH+]1)c1cccc2c1CC[NH2+]C2 ZINC000124310683 544589004 /nfs/dbraw/zinc/58/90/04/544589004.db2.gz WVNKCNNBDNUAFZ-UHFFFAOYSA-N 2 2 256.309 0.985 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000134969520 544632834 /nfs/dbraw/zinc/63/28/34/544632834.db2.gz QXRAIIHEFNGTHD-MJBXVCDLSA-N 2 2 283.416 0.696 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000134969520 544632840 /nfs/dbraw/zinc/63/28/40/544632840.db2.gz QXRAIIHEFNGTHD-MJBXVCDLSA-N 2 2 283.416 0.696 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000134969520 544632843 /nfs/dbraw/zinc/63/28/43/544632843.db2.gz QXRAIIHEFNGTHD-MJBXVCDLSA-N 2 2 283.416 0.696 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000134969520 544632847 /nfs/dbraw/zinc/63/28/47/544632847.db2.gz QXRAIIHEFNGTHD-MJBXVCDLSA-N 2 2 283.416 0.696 20 0 CCADLP CC[NH+]1CCN(C(=O)CNc2cc(C)[nH+]c(C)n2)CC1 ZINC000189338764 544790735 /nfs/dbraw/zinc/79/07/35/544790735.db2.gz CVZVUWAXJZHLIA-UHFFFAOYSA-N 2 2 277.372 0.669 20 0 CCADLP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)C[NH+]1CCOCC1 ZINC000276373383 544954449 /nfs/dbraw/zinc/95/44/49/544954449.db2.gz CGKAZPWMUMKVLQ-LBPRGKRZSA-N 2 2 280.372 0.427 20 0 CCADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C[NH+]1CCOCC1 ZINC000276373383 544954454 /nfs/dbraw/zinc/95/44/54/544954454.db2.gz CGKAZPWMUMKVLQ-LBPRGKRZSA-N 2 2 280.372 0.427 20 0 CCADLP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@H+](C)C1CC1 ZINC000276639368 544954560 /nfs/dbraw/zinc/95/45/60/544954560.db2.gz UUULRPPEQGDFPS-JTQLQIEISA-N 2 2 250.346 0.941 20 0 CCADLP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@@H+](C)C1CC1 ZINC000276639368 544954567 /nfs/dbraw/zinc/95/45/67/544954567.db2.gz UUULRPPEQGDFPS-JTQLQIEISA-N 2 2 250.346 0.941 20 0 CCADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@H+](C)C1CC1 ZINC000276639368 544954572 /nfs/dbraw/zinc/95/45/72/544954572.db2.gz UUULRPPEQGDFPS-JTQLQIEISA-N 2 2 250.346 0.941 20 0 CCADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@@H+](C)C1CC1 ZINC000276639368 544954577 /nfs/dbraw/zinc/95/45/77/544954577.db2.gz UUULRPPEQGDFPS-JTQLQIEISA-N 2 2 250.346 0.941 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000305181132 544988406 /nfs/dbraw/zinc/98/84/06/544988406.db2.gz HLNLYJVXJPUWDX-CQSZACIVSA-N 2 2 294.399 0.578 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1c[nH+]cn1C ZINC000291117561 544970996 /nfs/dbraw/zinc/97/09/96/544970996.db2.gz DDAHMWGOPXDYNH-GFCCVEGCSA-N 2 2 250.346 0.911 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCc1c[nH+]cn1C ZINC000291117561 544970999 /nfs/dbraw/zinc/97/09/99/544970999.db2.gz DDAHMWGOPXDYNH-GFCCVEGCSA-N 2 2 250.346 0.911 20 0 CCADLP C[NH+](C)CCn1nccc1NC(=O)CCc1c[nH]c[nH+]1 ZINC000294224739 544974011 /nfs/dbraw/zinc/97/40/11/544974011.db2.gz WLEJCPSCRWFOBV-UHFFFAOYSA-N 2 2 276.344 0.739 20 0 CCADLP C[C@H](CNC(=O)NC[C@@]1(C)CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000333939456 545044477 /nfs/dbraw/zinc/04/44/77/545044477.db2.gz NGGOMVOTCHNBHI-HIFRSBDPSA-N 2 2 298.431 0.396 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000352053979 545068815 /nfs/dbraw/zinc/06/88/15/545068815.db2.gz XYFKSFUKYBYSLP-UHFFFAOYSA-N 2 2 294.399 0.912 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000352053979 545068816 /nfs/dbraw/zinc/06/88/16/545068816.db2.gz XYFKSFUKYBYSLP-UHFFFAOYSA-N 2 2 294.399 0.912 20 0 CCADLP CCCCNC(=O)C1CC[NH+](C[C@H](O)C[N@H+](C)CC)CC1 ZINC000519068078 265309292 /nfs/dbraw/zinc/30/92/92/265309292.db2.gz LAJQFSQYEAISCE-OAHLLOKOSA-N 2 2 299.459 0.927 20 0 CCADLP CCCCNC(=O)C1CC[NH+](C[C@H](O)C[N@@H+](C)CC)CC1 ZINC000519068078 265309294 /nfs/dbraw/zinc/30/92/94/265309294.db2.gz LAJQFSQYEAISCE-OAHLLOKOSA-N 2 2 299.459 0.927 20 0 CCADLP CC1(C)CN(c2cc(-n3cccn3)nc(N)[nH+]2)CC[NH2+]1 ZINC000516751609 273584774 /nfs/dbraw/zinc/58/47/74/273584774.db2.gz UACJXEBTMHVJKD-UHFFFAOYSA-N 2 2 273.344 0.263 20 0 CCADLP CC[C@H](CCO)C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422849696 287842154 /nfs/dbraw/zinc/84/21/54/287842154.db2.gz CGXVGCLJFWCKTD-MRVWCRGKSA-N 2 2 256.390 0.752 20 0 CCADLP C(C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)CN1CCOCC1 ZINC000422729304 275725075 /nfs/dbraw/zinc/72/50/75/275725075.db2.gz HSJRQZZFCXEHQV-HUUCEWRRSA-N 2 2 283.416 0.065 20 0 CCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@@H]1C[NH2+]CCO1)C2 ZINC000168416155 276065804 /nfs/dbraw/zinc/06/58/04/276065804.db2.gz GIOFZUVVKUIPGW-ZDUSSCGKSA-N 2 2 292.383 0.417 20 0 CCADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCCC2)C1 ZINC000177839112 276072694 /nfs/dbraw/zinc/07/26/94/276072694.db2.gz KRMXAHSXAAGTRZ-ZDUSSCGKSA-N 2 2 253.390 0.882 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCCC2)C1 ZINC000177839112 276072698 /nfs/dbraw/zinc/07/26/98/276072698.db2.gz KRMXAHSXAAGTRZ-ZDUSSCGKSA-N 2 2 253.390 0.882 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC000177839112 276072699 /nfs/dbraw/zinc/07/26/99/276072699.db2.gz KRMXAHSXAAGTRZ-ZDUSSCGKSA-N 2 2 253.390 0.882 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000177839112 276072701 /nfs/dbraw/zinc/07/27/01/276072701.db2.gz KRMXAHSXAAGTRZ-ZDUSSCGKSA-N 2 2 253.390 0.882 20 0 CCADLP CC(C)n1cc[nH+]c1CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352509177 276085935 /nfs/dbraw/zinc/08/59/35/276085935.db2.gz JTADDOKETUAJDX-AWEZNQCLSA-N 2 2 277.416 0.944 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@@H](O)C(C)(C)C2)CC1 ZINC000447861478 276189924 /nfs/dbraw/zinc/18/99/24/276189924.db2.gz BDKODHPMSIBRGH-CHWSQXEVSA-N 2 2 283.416 0.242 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2C[C@@H](O)C(C)(C)C2)CC1 ZINC000447861478 276189926 /nfs/dbraw/zinc/18/99/26/276189926.db2.gz BDKODHPMSIBRGH-CHWSQXEVSA-N 2 2 283.416 0.242 20 0 CCADLP CCC[N@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CC(=O)N(C)C1=O ZINC000338322609 276254734 /nfs/dbraw/zinc/25/47/34/276254734.db2.gz KWCTVSQKJRBHGP-CHWSQXEVSA-N 2 2 281.400 0.940 20 0 CCADLP CCC[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CC(=O)N(C)C1=O ZINC000338322609 276254735 /nfs/dbraw/zinc/25/47/35/276254735.db2.gz KWCTVSQKJRBHGP-CHWSQXEVSA-N 2 2 281.400 0.940 20 0 CCADLP CCC[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H]1CC(=O)N(C)C1=O ZINC000338322609 276254736 /nfs/dbraw/zinc/25/47/36/276254736.db2.gz KWCTVSQKJRBHGP-CHWSQXEVSA-N 2 2 281.400 0.940 20 0 CCADLP CCC[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H]1CC(=O)N(C)C1=O ZINC000338322609 276254737 /nfs/dbraw/zinc/25/47/37/276254737.db2.gz KWCTVSQKJRBHGP-CHWSQXEVSA-N 2 2 281.400 0.940 20 0 CCADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000245432796 276306695 /nfs/dbraw/zinc/30/66/95/276306695.db2.gz BLZQWVMNUMENDF-KKUMJFAQSA-N 2 2 297.443 0.896 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000245432796 276306697 /nfs/dbraw/zinc/30/66/97/276306697.db2.gz BLZQWVMNUMENDF-KKUMJFAQSA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000245432796 276306698 /nfs/dbraw/zinc/30/66/98/276306698.db2.gz BLZQWVMNUMENDF-KKUMJFAQSA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000245432796 276306699 /nfs/dbraw/zinc/30/66/99/276306699.db2.gz BLZQWVMNUMENDF-KKUMJFAQSA-N 2 2 297.443 0.896 20 0 CCADLP CN(C)C(=O)C1CC[NH+](Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000425332113 276739930 /nfs/dbraw/zinc/73/99/30/276739930.db2.gz ZWPGAQWNBCQHRZ-UHFFFAOYSA-N 2 2 293.415 0.786 20 0 CCADLP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000334235653 276868408 /nfs/dbraw/zinc/86/84/08/276868408.db2.gz HIHGPOUUGPRYCQ-OCCSQVGLSA-N 2 2 276.384 0.998 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150773840 277063605 /nfs/dbraw/zinc/06/36/05/277063605.db2.gz GTRYDZFABTWHMK-QWHCGFSZSA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150773840 277063607 /nfs/dbraw/zinc/06/36/07/277063607.db2.gz GTRYDZFABTWHMK-QWHCGFSZSA-N 2 2 297.399 0.082 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]3COCC[C@H]32)CC1 ZINC000357311778 277090119 /nfs/dbraw/zinc/09/01/19/277090119.db2.gz WREZICFZCIDOGZ-ZIAGYGMSSA-N 2 2 281.400 0.261 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]3COCC[C@H]32)CC1 ZINC000357311778 277090120 /nfs/dbraw/zinc/09/01/20/277090120.db2.gz WREZICFZCIDOGZ-ZIAGYGMSSA-N 2 2 281.400 0.261 20 0 CCADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)C[C@@H]21 ZINC000332656401 277119875 /nfs/dbraw/zinc/11/98/75/277119875.db2.gz ZMVMLSXOFZHLGB-YIYPIFLZSA-N 2 2 296.415 0.371 20 0 CCADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)C[C@@H]21 ZINC000332656401 277119876 /nfs/dbraw/zinc/11/98/76/277119876.db2.gz ZMVMLSXOFZHLGB-YIYPIFLZSA-N 2 2 296.415 0.371 20 0 CCADLP CN1CC[C@H]([N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)C1=O ZINC000334495077 277164355 /nfs/dbraw/zinc/16/43/55/277164355.db2.gz GFBOTIIZEHBBHA-GXTWGEPZSA-N 2 2 251.374 0.635 20 0 CCADLP CN1CC[C@H]([N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)C1=O ZINC000334495077 277164356 /nfs/dbraw/zinc/16/43/56/277164356.db2.gz GFBOTIIZEHBBHA-GXTWGEPZSA-N 2 2 251.374 0.635 20 0 CCADLP CN1CC[C@H]([NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)C1=O ZINC000334495077 277164357 /nfs/dbraw/zinc/16/43/57/277164357.db2.gz GFBOTIIZEHBBHA-GXTWGEPZSA-N 2 2 251.374 0.635 20 0 CCADLP CN1CC[C@H]([NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)C1=O ZINC000334495077 277164358 /nfs/dbraw/zinc/16/43/58/277164358.db2.gz GFBOTIIZEHBBHA-GXTWGEPZSA-N 2 2 251.374 0.635 20 0 CCADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425358410 277243334 /nfs/dbraw/zinc/24/33/34/277243334.db2.gz QTDBDZUJUYLPCG-NEPJUHHUSA-N 2 2 279.388 0.490 20 0 CCADLP COC[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)[C@H]1CCCO1 ZINC000419738079 277248479 /nfs/dbraw/zinc/24/84/79/277248479.db2.gz YVTPFIKFEKDSTI-CHWSQXEVSA-N 2 2 282.388 0.770 20 0 CCADLP CNC(=O)[C@H]1CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425341162 277252633 /nfs/dbraw/zinc/25/26/33/277252633.db2.gz CGKNMLFDMJJEIK-JTQLQIEISA-N 2 2 265.361 0.054 20 0 CCADLP CNC(=O)[C@H]1CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425341162 277252634 /nfs/dbraw/zinc/25/26/34/277252634.db2.gz CGKNMLFDMJJEIK-JTQLQIEISA-N 2 2 265.361 0.054 20 0 CCADLP COc1ccccc1[C@H]([NH3+])C(=O)N1CC[NH+](C)CC1 ZINC000257648092 277472348 /nfs/dbraw/zinc/47/23/48/277472348.db2.gz BHSGCLHPNQAPNA-ZDUSSCGKSA-N 2 2 263.341 0.469 20 0 CCADLP CC(C)[C@@H](C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)[NH+](C)C ZINC000363708005 277716266 /nfs/dbraw/zinc/71/62/66/277716266.db2.gz IEHDXZQJMBRJLX-KBPBESRZSA-N 2 2 283.416 0.506 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000342788346 278014845 /nfs/dbraw/zinc/01/48/45/278014845.db2.gz YZNNZOVHTRWBRD-RDBSUJKOSA-N 2 2 281.400 0.402 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000342788346 278014848 /nfs/dbraw/zinc/01/48/48/278014848.db2.gz YZNNZOVHTRWBRD-RDBSUJKOSA-N 2 2 281.400 0.402 20 0 CCADLP COc1ccccc1N1CC[C@H]([N@H+](C)C[C@H](O)C[NH3+])C1=O ZINC000420349209 278054827 /nfs/dbraw/zinc/05/48/27/278054827.db2.gz CBXALPYSQPJBCG-YPMHNXCESA-N 2 2 293.367 0.052 20 0 CCADLP COc1ccccc1N1CC[C@H]([N@@H+](C)C[C@H](O)C[NH3+])C1=O ZINC000420349209 278054828 /nfs/dbraw/zinc/05/48/28/278054828.db2.gz CBXALPYSQPJBCG-YPMHNXCESA-N 2 2 293.367 0.052 20 0 CCADLP C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1c[nH+]c(N(C)C)n1C ZINC000425375381 278061317 /nfs/dbraw/zinc/06/13/17/278061317.db2.gz ZHSGLDQOTQYNAF-WCQYABFASA-N 2 2 282.388 0.458 20 0 CCADLP C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1c[nH+]c(N(C)C)n1C ZINC000425375381 278061319 /nfs/dbraw/zinc/06/13/19/278061319.db2.gz ZHSGLDQOTQYNAF-WCQYABFASA-N 2 2 282.388 0.458 20 0 CCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000070011354 278183309 /nfs/dbraw/zinc/18/33/09/278183309.db2.gz HAMLJTKXXOHOMY-UONOGXRCSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000070011354 278183310 /nfs/dbraw/zinc/18/33/10/278183310.db2.gz HAMLJTKXXOHOMY-UONOGXRCSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000273152112 278222328 /nfs/dbraw/zinc/22/23/28/278222328.db2.gz ZDMTZKKNFNFAIA-CHWSQXEVSA-N 2 2 280.372 0.356 20 0 CCADLP CC(=O)[C@@H](NC(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1)C(C)C ZINC000300300373 278224256 /nfs/dbraw/zinc/22/42/56/278224256.db2.gz DOXUPYJEAYTNHR-ZFWWWQNUSA-N 2 2 283.416 0.790 20 0 CCADLP CC(=O)[C@@H](NC(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1)C(C)C ZINC000300300373 278224258 /nfs/dbraw/zinc/22/42/58/278224258.db2.gz DOXUPYJEAYTNHR-ZFWWWQNUSA-N 2 2 283.416 0.790 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)[C@@H]1CCOC1 ZINC000354330944 278258009 /nfs/dbraw/zinc/25/80/09/278258009.db2.gz BRSOEHYDXLYCHA-YNEHKIRRSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)[C@@H]1CCOC1 ZINC000354330944 278258011 /nfs/dbraw/zinc/25/80/11/278258011.db2.gz BRSOEHYDXLYCHA-YNEHKIRRSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H](O)C[N@H+](C)C1CC[NH+](CCN2CCOC[C@H]2C)CC1 ZINC000337147550 278392653 /nfs/dbraw/zinc/39/26/53/278392653.db2.gz ZHEJOXSIQMPKOE-HUUCEWRRSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+](CCN2CCOC[C@H]2C)CC1 ZINC000337147550 278392655 /nfs/dbraw/zinc/39/26/55/278392655.db2.gz ZHEJOXSIQMPKOE-HUUCEWRRSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000362749467 288096161 /nfs/dbraw/zinc/09/61/61/288096161.db2.gz YRCRNAKINNLFFC-CHWSQXEVSA-N 2 2 283.416 0.411 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000362749467 288096163 /nfs/dbraw/zinc/09/61/63/288096163.db2.gz YRCRNAKINNLFFC-CHWSQXEVSA-N 2 2 283.416 0.411 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000362749467 288096164 /nfs/dbraw/zinc/09/61/64/288096164.db2.gz YRCRNAKINNLFFC-CHWSQXEVSA-N 2 2 283.416 0.411 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000362749467 288096165 /nfs/dbraw/zinc/09/61/65/288096165.db2.gz YRCRNAKINNLFFC-CHWSQXEVSA-N 2 2 283.416 0.411 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423404628 288098351 /nfs/dbraw/zinc/09/83/51/288098351.db2.gz ZXWGGRWXWAYMSX-UTUOFQBUSA-N 3 2 294.365 0.362 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423404628 288098353 /nfs/dbraw/zinc/09/83/53/288098353.db2.gz ZXWGGRWXWAYMSX-UTUOFQBUSA-N 3 2 294.365 0.362 20 0 CCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000356832636 279081899 /nfs/dbraw/zinc/08/18/99/279081899.db2.gz ATDHKUWKNHSGAP-UPJWGTAASA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000356832636 279081900 /nfs/dbraw/zinc/08/19/00/279081900.db2.gz ATDHKUWKNHSGAP-UPJWGTAASA-N 2 2 276.384 0.997 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000353579463 279176996 /nfs/dbraw/zinc/17/69/96/279176996.db2.gz PRTJLSACIWISNJ-RYUDHWBXSA-N 2 2 257.378 0.197 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000353579463 279176998 /nfs/dbraw/zinc/17/69/98/279176998.db2.gz PRTJLSACIWISNJ-RYUDHWBXSA-N 2 2 257.378 0.197 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)CC1 ZINC000430568035 279259912 /nfs/dbraw/zinc/25/99/12/279259912.db2.gz GSVPPOWKPHSXLA-HNNXBMFYSA-N 3 2 282.432 0.304 20 0 CCADLP C[C@H](CCN1CCOCC1)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422909944 279264555 /nfs/dbraw/zinc/26/45/55/279264555.db2.gz GYWIZDVHSCADSS-MJBXVCDLSA-N 2 2 255.406 0.685 20 0 CCADLP C[C@H](CC[NH+]1CCOCC1)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000422909944 279264557 /nfs/dbraw/zinc/26/45/57/279264557.db2.gz GYWIZDVHSCADSS-MJBXVCDLSA-N 2 2 255.406 0.685 20 0 CCADLP C[C@H](CO)N(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376704583 279356709 /nfs/dbraw/zinc/35/67/09/279356709.db2.gz BFAIDSSGEWNXDB-OLZOCXBDSA-N 2 2 298.431 0.177 20 0 CCADLP C[C@H](CO)N(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376704583 279356713 /nfs/dbraw/zinc/35/67/13/279356713.db2.gz BFAIDSSGEWNXDB-OLZOCXBDSA-N 2 2 298.431 0.177 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](CO)CC1CCC1 ZINC000423127779 279373275 /nfs/dbraw/zinc/37/32/75/279373275.db2.gz KATKJBBXGVKGEZ-BNOWGMLFSA-N 2 2 256.390 0.894 20 0 CCADLP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)[C@H]1CSC[NH2+]1 ZINC000269264257 280044109 /nfs/dbraw/zinc/04/41/09/280044109.db2.gz ODCGZDWSLSDWBE-SNVBAGLBSA-N 2 2 275.337 0.868 20 0 CCADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000446406136 280076700 /nfs/dbraw/zinc/07/67/00/280076700.db2.gz OSPPIIGLYCUKGR-AEJSXWLSSA-N 2 2 259.300 0.337 20 0 CCADLP Cc1cc(N2CC[C@@H]([NH2+]C[C@@H]([NH3+])CC(C)C)C2=O)n(C)n1 ZINC000415086332 280568948 /nfs/dbraw/zinc/56/89/48/280568948.db2.gz UJUWTURCNQDUOL-QWHCGFSZSA-N 2 2 293.415 0.797 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000263178955 288347528 /nfs/dbraw/zinc/34/75/28/288347528.db2.gz GMNWYBNZRLCCDA-UMVBOHGHSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000263178955 288347529 /nfs/dbraw/zinc/34/75/29/288347529.db2.gz GMNWYBNZRLCCDA-UMVBOHGHSA-N 2 2 283.416 0.731 20 0 CCADLP C[NH+](C)C1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000193821424 282050965 /nfs/dbraw/zinc/05/09/65/282050965.db2.gz GISGIGFFVBTJJA-UHFFFAOYSA-N 2 2 253.346 0.161 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000261871080 282071009 /nfs/dbraw/zinc/07/10/09/282071009.db2.gz SHHCQPOFBMRYSQ-UHFFFAOYSA-N 2 2 285.432 0.979 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000261871080 282071011 /nfs/dbraw/zinc/07/10/11/282071011.db2.gz SHHCQPOFBMRYSQ-UHFFFAOYSA-N 2 2 285.432 0.979 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246575917 289242214 /nfs/dbraw/zinc/24/22/14/289242214.db2.gz HAMLJTKXXOHOMY-KGLIPLIRSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246575917 289242216 /nfs/dbraw/zinc/24/22/16/289242216.db2.gz HAMLJTKXXOHOMY-KGLIPLIRSA-N 2 2 283.416 0.507 20 0 CCADLP CN(C)[C@H](C(=O)N1CCC[N@H+](C)CC1)c1c[nH+]cn1C ZINC000281237642 289344902 /nfs/dbraw/zinc/34/49/02/289344902.db2.gz SRLJQUIINFEEJT-ZDUSSCGKSA-N 2 2 279.388 0.187 20 0 CCADLP CN(C)[C@H](C(=O)N1CCC[N@@H+](C)CC1)c1c[nH+]cn1C ZINC000281237642 289344905 /nfs/dbraw/zinc/34/49/05/289344905.db2.gz SRLJQUIINFEEJT-ZDUSSCGKSA-N 2 2 279.388 0.187 20 0 CCADLP C[N@@H+]1CC[C@]2(CCN(C(=O)NCC[NH+]3CCOCC3)C2)C1 ZINC000368041408 290248793 /nfs/dbraw/zinc/24/87/93/290248793.db2.gz KIECBHOXRQMVFM-HNNXBMFYSA-N 2 2 296.415 0.056 20 0 CCADLP C[N@H+]1CC[C@]2(CCN(C(=O)NCC[NH+]3CCOCC3)C2)C1 ZINC000368041408 290248794 /nfs/dbraw/zinc/24/87/94/290248794.db2.gz KIECBHOXRQMVFM-HNNXBMFYSA-N 2 2 296.415 0.056 20 0 CCADLP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000422872676 293098158 /nfs/dbraw/zinc/09/81/58/293098158.db2.gz IEYOXNLXXNBNHY-DYEKYZERSA-N 3 2 255.406 0.813 20 0 CCADLP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000422872676 293098161 /nfs/dbraw/zinc/09/81/61/293098161.db2.gz IEYOXNLXXNBNHY-DYEKYZERSA-N 3 2 255.406 0.813 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000261813435 297020205 /nfs/dbraw/zinc/02/02/05/297020205.db2.gz HWJJZTUOFFSUMM-ZACQAIPSSA-N 3 2 294.487 0.944 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000261813435 297020207 /nfs/dbraw/zinc/02/02/07/297020207.db2.gz HWJJZTUOFFSUMM-ZACQAIPSSA-N 3 2 294.487 0.944 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000364950455 295109478 /nfs/dbraw/zinc/10/94/78/295109478.db2.gz OVUCUAUZILJPMA-GJZGRUSLSA-N 2 2 295.427 0.970 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000364950455 295109480 /nfs/dbraw/zinc/10/94/80/295109480.db2.gz OVUCUAUZILJPMA-GJZGRUSLSA-N 2 2 295.427 0.970 20 0 CCADLP [NH3+]C1(C[NH2+][C@H]2CCN(CC(F)(F)F)C2=O)CCC1 ZINC000342102470 295209781 /nfs/dbraw/zinc/20/97/81/295209781.db2.gz MHFQLHJXDRQXHH-QMMMGPOBSA-N 2 2 265.279 0.621 20 0 CCADLP COc1ccccc1N1CC[C@H]([N@@H+](C)C[C@@H](O)C[NH3+])C1=O ZINC000420349206 295369023 /nfs/dbraw/zinc/36/90/23/295369023.db2.gz CBXALPYSQPJBCG-AAEUAGOBSA-N 2 2 293.367 0.052 20 0 CCADLP COc1ccccc1N1CC[C@H]([N@H+](C)C[C@@H](O)C[NH3+])C1=O ZINC000420349206 295369021 /nfs/dbraw/zinc/36/90/21/295369021.db2.gz CBXALPYSQPJBCG-AAEUAGOBSA-N 2 2 293.367 0.052 20 0 CCADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000247056568 298243260 /nfs/dbraw/zinc/24/32/60/298243260.db2.gz ZMTCGGKBAJBDGC-WZRBSPASSA-N 2 2 251.374 0.809 20 0 CCADLP C[C@H](C(N)=O)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000247056568 298243262 /nfs/dbraw/zinc/24/32/62/298243262.db2.gz ZMTCGGKBAJBDGC-WZRBSPASSA-N 2 2 251.374 0.809 20 0 CCADLP C[C@H](C(N)=O)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000247056568 298243265 /nfs/dbraw/zinc/24/32/65/298243265.db2.gz ZMTCGGKBAJBDGC-WZRBSPASSA-N 2 2 251.374 0.809 20 0 CCADLP C[C@H](C(N)=O)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000247056568 298243268 /nfs/dbraw/zinc/24/32/68/298243268.db2.gz ZMTCGGKBAJBDGC-WZRBSPASSA-N 2 2 251.374 0.809 20 0 CCADLP C[C@H](C[NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000262305907 298521035 /nfs/dbraw/zinc/52/10/35/298521035.db2.gz CGSCNXOIIQZWEL-HIFRSBDPSA-N 2 2 291.395 0.771 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000333819694 298628969 /nfs/dbraw/zinc/62/89/69/298628969.db2.gz KRUBYRLZBGZQRX-MGPQQGTHSA-N 2 2 298.431 0.347 20 0 CCADLP COC(=O)[C@@H](C1CC1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000582853836 329280313 /nfs/dbraw/zinc/28/03/13/329280313.db2.gz MTIJSQASYWSBMY-LLVKDONJSA-N 2 2 264.329 0.483 20 0 CCADLP Cn1ncc2c1nc(NC[C@H]1CCC[C@@H]([NH3+])C1)[nH+]c2N ZINC000584163411 327054024 /nfs/dbraw/zinc/05/40/24/327054024.db2.gz ZXDXTLDDQSMPTN-DTWKUNHWSA-N 2 2 275.360 0.297 20 0 CCADLP C[C@H](CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)n1cc[nH+]c1 ZINC000573856323 327264718 /nfs/dbraw/zinc/26/47/18/327264718.db2.gz WGMXEURCAAIAEV-JHJVBQTASA-N 2 2 262.357 0.902 20 0 CCADLP C[C@@H](C[NH2+]CCC(=O)NC(N)=O)[NH+]1CCC(C)CC1 ZINC000577722567 327279830 /nfs/dbraw/zinc/27/98/30/327279830.db2.gz UPPRCEIFTYBNSO-NSHDSACASA-N 2 2 270.377 0.281 20 0 CCADLP CO[C@H]1CCCC[C@@H]1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000574059965 327287295 /nfs/dbraw/zinc/28/72/95/327287295.db2.gz HTNQVNBQRQCASH-AVGNSLFASA-N 2 2 284.404 0.228 20 0 CCADLP CO[C@H]1CCCC[C@@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000574059965 327287297 /nfs/dbraw/zinc/28/72/97/327287297.db2.gz HTNQVNBQRQCASH-AVGNSLFASA-N 2 2 284.404 0.228 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000583389188 327339543 /nfs/dbraw/zinc/33/95/43/327339543.db2.gz DZNYUIVXFSQJKH-GFCCVEGCSA-N 2 2 285.413 0.719 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000583389188 327339544 /nfs/dbraw/zinc/33/95/44/327339544.db2.gz DZNYUIVXFSQJKH-GFCCVEGCSA-N 2 2 285.413 0.719 20 0 CCADLP Cc1nc(N2CCN(C(=O)CC[NH2+]C3CC3)CC2)cc[nH+]1 ZINC000583391400 327340282 /nfs/dbraw/zinc/34/02/82/327340282.db2.gz ULQFWHYSTBEBCC-UHFFFAOYSA-N 2 2 289.383 0.576 20 0 CCADLP CN(C)c1[nH+]cc(CNC2CC([NH+](C)C)C2)n1C ZINC000578522260 327342638 /nfs/dbraw/zinc/34/26/38/327342638.db2.gz GGCGXVBEWYUBMA-UHFFFAOYSA-N 2 2 251.378 0.668 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000575300186 327456649 /nfs/dbraw/zinc/45/66/49/327456649.db2.gz FBLWCCIAHCQZMF-VHSXEESVSA-N 2 2 295.387 0.481 20 0 CCADLP CCC([NH3+])(CC)CNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000582485971 329096419 /nfs/dbraw/zinc/09/64/19/329096419.db2.gz ZSEHXYLKOZEFDG-VIFPVBQESA-N 2 2 256.375 0.777 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@]3(C)CCC[NH2+]3)CC2)cc[nH+]1 ZINC000582906616 329281597 /nfs/dbraw/zinc/28/15/97/329281597.db2.gz XAOSOSQFVZENGH-HNNXBMFYSA-N 2 2 289.383 0.576 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000582972763 329297086 /nfs/dbraw/zinc/29/70/86/329297086.db2.gz ILFQBLDQAFCFPS-RYUDHWBXSA-N 2 2 280.372 0.425 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000582972763 329297087 /nfs/dbraw/zinc/29/70/87/329297087.db2.gz ILFQBLDQAFCFPS-RYUDHWBXSA-N 2 2 280.372 0.425 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000582972763 329297089 /nfs/dbraw/zinc/29/70/89/329297089.db2.gz ILFQBLDQAFCFPS-RYUDHWBXSA-N 2 2 280.372 0.425 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000582972763 329297091 /nfs/dbraw/zinc/29/70/91/329297091.db2.gz ILFQBLDQAFCFPS-RYUDHWBXSA-N 2 2 280.372 0.425 20 0 CCADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)[NH2+]C2CC2)C1 ZINC000583141964 329321233 /nfs/dbraw/zinc/32/12/33/329321233.db2.gz VMIQQUDJJKFVDX-NEPJUHHUSA-N 2 2 297.399 0.128 20 0 CCADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)[NH2+]C2CC2)C1 ZINC000583141964 329321234 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288.395 0.998 20 0 CCADLP C[C@@H]1C[C@H]1C[NH2+]C[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000575377049 335099344 /nfs/dbraw/zinc/09/93/44/335099344.db2.gz DYIWATUSDVZJFA-XGFWRYKXSA-N 2 2 256.390 0.702 20 0 CCADLP Cc1cc(CNC(=O)C[C@H]2C[NH2+]CCO2)cc(C)[nH+]1 ZINC000575801129 335116606 /nfs/dbraw/zinc/11/66/06/335116606.db2.gz FHXATUINSYEOKI-ZDUSSCGKSA-N 2 2 263.341 0.693 20 0 CCADLP CC[C@@]1(CO)CCC[N@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000575878524 335127347 /nfs/dbraw/zinc/12/73/47/335127347.db2.gz RCDCZXSWEBKIQU-HUUCEWRRSA-N 2 2 288.432 0.410 20 0 CCADLP CC[C@@]1(CO)CCC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000575878524 335127348 /nfs/dbraw/zinc/12/73/48/335127348.db2.gz RCDCZXSWEBKIQU-HUUCEWRRSA-N 2 2 288.432 0.410 20 0 CCADLP CC[C@@]1(CO)CCC[NH+](C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000575878524 335127349 /nfs/dbraw/zinc/12/73/49/335127349.db2.gz RCDCZXSWEBKIQU-HUUCEWRRSA-N 2 2 288.432 0.410 20 0 CCADLP CC[C@@]1(CO)CCC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000575878524 335127350 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CC(C)(C)c1noc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)n1 ZINC000261663062 519134855 /nfs/dbraw/zinc/13/48/55/519134855.db2.gz KTNCXGNNWBQREX-GFCCVEGCSA-N 2 2 293.415 0.847 20 0 CCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150844782 519707256 /nfs/dbraw/zinc/70/72/56/519707256.db2.gz SRKZXXXSSBPVNX-ZDUSSCGKSA-N 2 2 253.390 0.929 20 0 CCADLP CC(C)NC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150844782 519707257 /nfs/dbraw/zinc/70/72/57/519707257.db2.gz SRKZXXXSSBPVNX-ZDUSSCGKSA-N 2 2 253.390 0.929 20 0 CCADLP CC(C)COC[C@H](O)C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000049235114 519758826 /nfs/dbraw/zinc/75/88/26/519758826.db2.gz QLRSNNFIHPACBC-CHWSQXEVSA-N 2 2 255.362 0.895 20 0 CCADLP CC(C)[C@H](C[NH+](C)C)[NH2+]C[C@@H](O)Cn1cccn1 ZINC000049203995 519814466 /nfs/dbraw/zinc/81/44/66/519814466.db2.gz WNPUMUKBJOFKMC-OLZOCXBDSA-N 2 2 254.378 0.420 20 0 CCADLP CCN(C)C(=O)CC[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000183776438 520143754 /nfs/dbraw/zinc/14/37/54/520143754.db2.gz KGBRLHKWDACCFP-UHFFFAOYSA-N 2 2 291.399 0.775 20 0 CCADLP Cc1c[nH+]c(CNC[C@@H]2CCCC[N@@H+]2CCO)n1C ZINC000449398582 534557088 /nfs/dbraw/zinc/55/70/88/534557088.db2.gz VQZWKJHIKOYRPY-ZDUSSCGKSA-N 2 2 266.389 0.665 20 0 CCADLP Cc1c[nH+]c(CNC[C@@H]2CCCC[N@H+]2CCO)n1C ZINC000449398582 534557096 /nfs/dbraw/zinc/55/70/96/534557096.db2.gz VQZWKJHIKOYRPY-ZDUSSCGKSA-N 2 2 266.389 0.665 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)NCc2c[nH+]cn2C)C1 ZINC000517263924 545101097 /nfs/dbraw/zinc/10/10/97/545101097.db2.gz FRWKOJJPHJIOKZ-GFCCVEGCSA-N 2 2 279.388 0.950 20 0 CCADLP CC(C)[N@H+]1CC[C@H](CNC(=O)NCc2c[nH+]cn2C)C1 ZINC000517263924 545101098 /nfs/dbraw/zinc/10/10/98/545101098.db2.gz FRWKOJJPHJIOKZ-GFCCVEGCSA-N 2 2 279.388 0.950 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150756061 521741088 /nfs/dbraw/zinc/74/10/88/521741088.db2.gz YRDHGJGANMRBSG-LBPRGKRZSA-N 2 2 282.388 0.250 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150756061 521741089 /nfs/dbraw/zinc/74/10/89/521741089.db2.gz YRDHGJGANMRBSG-LBPRGKRZSA-N 2 2 282.388 0.250 20 0 CCADLP C[N@H+](CCc1ccccc1)CC(=O)N1CC[NH+](C)CC1 ZINC000157379626 522953016 /nfs/dbraw/zinc/95/30/16/522953016.db2.gz ABHAXKZSTRTGKT-UHFFFAOYSA-N 2 2 275.396 0.935 20 0 CCADLP C[N@@H+](CCc1ccccc1)CC(=O)N1CC[NH+](C)CC1 ZINC000157379626 522953031 /nfs/dbraw/zinc/95/30/31/522953031.db2.gz ABHAXKZSTRTGKT-UHFFFAOYSA-N 2 2 275.396 0.935 20 0 CCADLP [NH3+]C[C@@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)C1CC1 ZINC000422854713 534673800 /nfs/dbraw/zinc/67/38/00/534673800.db2.gz BIDZCFBPLTUZIH-CYBMUJFWSA-N 2 2 271.324 0.734 20 0 CCADLP CNC(=O)[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000182776887 524081811 /nfs/dbraw/zinc/08/18/11/524081811.db2.gz BZWAOZNMPCKWTI-GFCCVEGCSA-N 2 2 250.346 0.731 20 0 CCADLP CNC(=O)[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000182776887 524081812 /nfs/dbraw/zinc/08/18/12/524081812.db2.gz BZWAOZNMPCKWTI-GFCCVEGCSA-N 2 2 250.346 0.731 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366093445 524469870 /nfs/dbraw/zinc/46/98/70/524469870.db2.gz SLIUPEZLQJOLIK-JSGCOSHPSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366093445 524469879 /nfs/dbraw/zinc/46/98/79/524469879.db2.gz SLIUPEZLQJOLIK-JSGCOSHPSA-N 2 2 298.431 0.489 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)[C@@]3(F)CC[NH2+]C3)cn21 ZINC000370773776 524984812 /nfs/dbraw/zinc/98/48/12/524984812.db2.gz PHNKKVKUDGHDLZ-CQSZACIVSA-N 2 2 276.315 0.961 20 0 CCADLP C[C@@H]1COCC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000354332667 525139127 /nfs/dbraw/zinc/13/91/27/525139127.db2.gz IWIGLZKQRJPDOE-UPJWGTAASA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]1COCC[C@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000354332667 525139136 /nfs/dbraw/zinc/13/91/36/525139136.db2.gz IWIGLZKQRJPDOE-UPJWGTAASA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H](CC(=O)NCC[NH+]1CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000155973050 526237934 /nfs/dbraw/zinc/23/79/34/526237934.db2.gz WPVYGJRWMJTHBE-KGLIPLIRSA-N 2 2 283.416 0.461 20 0 CCADLP C[C@H]1CCCCN1C(=O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357719618 526240951 /nfs/dbraw/zinc/24/09/51/526240951.db2.gz BSBGGRMWXAZSQA-AWEZNQCLSA-N 2 2 297.443 0.776 20 0 CCADLP C[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357719618 526240956 /nfs/dbraw/zinc/24/09/56/526240956.db2.gz BSBGGRMWXAZSQA-AWEZNQCLSA-N 2 2 297.443 0.776 20 0 CCADLP C1=CC[NH+]([C@@H]2CCN(c3nc[nH+]c4c3OCCN4)C2)C1 ZINC000665703197 545103956 /nfs/dbraw/zinc/10/39/56/545103956.db2.gz SPCMTTQFSZJARM-LLVKDONJSA-N 2 2 273.340 0.731 20 0 CCADLP CC[N@@H+]1CCN(c2cc(NC[C@@H](C)O)[nH+]cn2)C[C@@H]1C ZINC000665708736 545104612 /nfs/dbraw/zinc/10/46/12/545104612.db2.gz KBIXJDMMXLTACX-NWDGAFQWSA-N 2 2 279.388 0.800 20 0 CCADLP CC[N@H+]1CCN(c2cc(NC[C@@H](C)O)[nH+]cn2)C[C@@H]1C ZINC000665708736 545104613 /nfs/dbraw/zinc/10/46/13/545104613.db2.gz KBIXJDMMXLTACX-NWDGAFQWSA-N 2 2 279.388 0.800 20 0 CCADLP C[N@@H+]1CCO[C@H]2CCN(c3nc[nH+]c4c3OCCN4)C[C@@H]21 ZINC000665717751 545105241 /nfs/dbraw/zinc/10/52/41/545105241.db2.gz CITPIJXHVUNIJJ-QWRGUYRKSA-N 2 2 291.355 0.190 20 0 CCADLP C[N@H+]1CCO[C@H]2CCN(c3nc[nH+]c4c3OCCN4)C[C@@H]21 ZINC000665717751 545105242 /nfs/dbraw/zinc/10/52/42/545105242.db2.gz CITPIJXHVUNIJJ-QWRGUYRKSA-N 2 2 291.355 0.190 20 0 CCADLP C[NH2+]CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000237235145 536441382 /nfs/dbraw/zinc/44/13/82/536441382.db2.gz CPBYHHROBCIBFM-CQSZACIVSA-N 2 2 277.368 0.223 20 0 CCADLP C[NH2+]CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000237235145 536441384 /nfs/dbraw/zinc/44/13/84/536441384.db2.gz CPBYHHROBCIBFM-CQSZACIVSA-N 2 2 277.368 0.223 20 0 CCADLP CC(=O)NCC1CC[NH+](Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000425319151 526728750 /nfs/dbraw/zinc/72/87/50/526728750.db2.gz AACKNFISBRQZBX-UHFFFAOYSA-N 2 2 293.415 0.834 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CCOC2CCC2)CC1 ZINC000367851664 527005192 /nfs/dbraw/zinc/00/51/92/527005192.db2.gz ZHAXDUYWIHVNCO-OAHLLOKOSA-N 2 2 295.427 0.970 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CCOC2CCC2)CC1 ZINC000367851664 527005198 /nfs/dbraw/zinc/00/51/98/527005198.db2.gz ZHAXDUYWIHVNCO-OAHLLOKOSA-N 2 2 295.427 0.970 20 0 CCADLP Cc1nccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000666709936 545128757 /nfs/dbraw/zinc/12/87/57/545128757.db2.gz WMTYRZVOSSHWDW-UHFFFAOYSA-N 2 2 294.403 0.790 20 0 CCADLP Cc1nccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000666709936 545128758 /nfs/dbraw/zinc/12/87/58/545128758.db2.gz WMTYRZVOSSHWDW-UHFFFAOYSA-N 2 2 294.403 0.790 20 0 CCADLP COc1ncccc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000666826024 545131897 /nfs/dbraw/zinc/13/18/97/545131897.db2.gz IJCZDLYVTFMIOA-JTQLQIEISA-N 2 2 279.344 0.197 20 0 CCADLP COc1ncccc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000666826024 545131898 /nfs/dbraw/zinc/13/18/98/545131898.db2.gz IJCZDLYVTFMIOA-JTQLQIEISA-N 2 2 279.344 0.197 20 0 CCADLP CC(C)([NH3+])CC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000361711765 527240518 /nfs/dbraw/zinc/24/05/18/527240518.db2.gz VFAYZSYFNKKPBZ-UHFFFAOYSA-N 2 2 295.387 0.281 20 0 CCADLP CNC(=O)[C@H]1CCCC[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000667507029 545148840 /nfs/dbraw/zinc/14/88/40/545148840.db2.gz WSXWJDUDDKIEQL-GFCCVEGCSA-N 2 2 250.346 0.829 20 0 CCADLP CNC(=O)[C@H]1CCCC[N@H+]1Cc1c[nH+]c(C)n1C ZINC000667507029 545148841 /nfs/dbraw/zinc/14/88/41/545148841.db2.gz WSXWJDUDDKIEQL-GFCCVEGCSA-N 2 2 250.346 0.829 20 0 CCADLP CNC(=O)[C@H]1CCC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000667626416 545152152 /nfs/dbraw/zinc/15/21/52/545152152.db2.gz UKCZEHKNXGFVQP-NSHDSACASA-N 2 2 250.346 0.687 20 0 CCADLP Cc1nccc(N2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)n1 ZINC000262028463 527346239 /nfs/dbraw/zinc/34/62/39/527346239.db2.gz NVDGVMOCDAHFJM-HNNXBMFYSA-N 2 2 275.400 0.907 20 0 CCADLP CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000667686060 545153633 /nfs/dbraw/zinc/15/36/33/545153633.db2.gz SLQKHVPAXQICBJ-NSHDSACASA-N 2 2 286.401 0.242 20 0 CCADLP CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1c[nH+]c(C)n1C ZINC000667686060 545153634 /nfs/dbraw/zinc/15/36/34/545153634.db2.gz SLQKHVPAXQICBJ-NSHDSACASA-N 2 2 286.401 0.242 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000366333487 527433714 /nfs/dbraw/zinc/43/37/14/527433714.db2.gz NFXYAFVFMHCQJM-UHFFFAOYSA-N 2 2 270.336 0.533 20 0 CCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)n1C ZINC000668053598 545162369 /nfs/dbraw/zinc/16/23/69/545162369.db2.gz XZUHPZFXLSIDLH-LBPRGKRZSA-N 2 2 262.357 0.925 20 0 CCADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](N3CCCC3=O)C2)n1C ZINC000668053598 545162370 /nfs/dbraw/zinc/16/23/70/545162370.db2.gz XZUHPZFXLSIDLH-LBPRGKRZSA-N 2 2 262.357 0.925 20 0 CCADLP COC[C@]1(CO)CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668226749 545168160 /nfs/dbraw/zinc/16/81/60/545168160.db2.gz SABPCABHJJFBMV-CQSZACIVSA-N 2 2 265.357 0.660 20 0 CCADLP COC[C@]1(CO)CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668226749 545168161 /nfs/dbraw/zinc/16/81/61/545168161.db2.gz SABPCABHJJFBMV-CQSZACIVSA-N 2 2 265.357 0.660 20 0 CCADLP Cc1[nH+]cc(C[N@@H+](CCO)[C@@H]2CCO[C@H]2C)n1C ZINC000668225402 545168426 /nfs/dbraw/zinc/16/84/26/545168426.db2.gz LULMPFACPOYKAV-GXFFZTMASA-N 2 2 253.346 0.700 20 0 CCADLP Cc1[nH+]cc(C[N@H+](CCO)[C@@H]2CCO[C@H]2C)n1C ZINC000668225402 545168427 /nfs/dbraw/zinc/16/84/27/545168427.db2.gz LULMPFACPOYKAV-GXFFZTMASA-N 2 2 253.346 0.700 20 0 CCADLP OC[C@@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CC[C@H]1O ZINC000668240602 545169291 /nfs/dbraw/zinc/16/92/91/545169291.db2.gz MUMUQPHVLKFFFJ-SWLSCSKDSA-N 2 2 288.351 0.442 20 0 CCADLP OC[C@@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC[C@H]1O ZINC000668240602 545169292 /nfs/dbraw/zinc/16/92/92/545169292.db2.gz MUMUQPHVLKFFFJ-SWLSCSKDSA-N 2 2 288.351 0.442 20 0 CCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)n1C ZINC000668454125 545178226 /nfs/dbraw/zinc/17/82/26/545178226.db2.gz YZDQUCOCWLPGCF-LBPRGKRZSA-N 2 2 260.345 0.842 20 0 CCADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](Cn3ccnn3)C2)n1C ZINC000668454125 545178227 /nfs/dbraw/zinc/17/82/27/545178227.db2.gz YZDQUCOCWLPGCF-LBPRGKRZSA-N 2 2 260.345 0.842 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)N[C@H](C)C1=CC[NH+](C)CC1 ZINC000358377973 527723239 /nfs/dbraw/zinc/72/32/39/527723239.db2.gz BLQNIUOFTBKUAG-OCCSQVGLSA-N 2 2 281.400 0.474 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)N[C@H](C)C1=CC[NH+](C)CC1 ZINC000358377973 527723243 /nfs/dbraw/zinc/72/32/43/527723243.db2.gz BLQNIUOFTBKUAG-OCCSQVGLSA-N 2 2 281.400 0.474 20 0 CCADLP CC[NH+]1CCOC[C@H]1C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000358377973 527723247 /nfs/dbraw/zinc/72/32/47/527723247.db2.gz BLQNIUOFTBKUAG-OCCSQVGLSA-N 2 2 281.400 0.474 20 0 CCADLP CC[NH+]1CCOC[C@H]1C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000358377973 527723249 /nfs/dbraw/zinc/72/32/49/527723249.db2.gz BLQNIUOFTBKUAG-OCCSQVGLSA-N 2 2 281.400 0.474 20 0 CCADLP CC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)C1COC1 ZINC000451283364 527906696 /nfs/dbraw/zinc/90/66/96/527906696.db2.gz HDUPUUZAWSZGKL-UHFFFAOYSA-N 2 2 269.389 0.308 20 0 CCADLP CC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)C1COC1 ZINC000451283364 527906700 /nfs/dbraw/zinc/90/67/00/527906700.db2.gz HDUPUUZAWSZGKL-UHFFFAOYSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H](CNC(=O)C1([NH+](C)C)CC1)Cn1cc[nH+]c1 ZINC000669017933 545198032 /nfs/dbraw/zinc/19/80/32/545198032.db2.gz HGLABYJCPIYNOX-LLVKDONJSA-N 2 2 250.346 0.730 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC2(CO)CCOCC2)C1 ZINC000358349623 527974543 /nfs/dbraw/zinc/97/45/43/527974543.db2.gz HYCHQNADHKZKJM-QWHCGFSZSA-N 2 2 256.390 0.705 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC2(CO)CCOCC2)C1 ZINC000358349623 527974547 /nfs/dbraw/zinc/97/45/47/527974547.db2.gz HYCHQNADHKZKJM-QWHCGFSZSA-N 2 2 256.390 0.705 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000669461684 545208886 /nfs/dbraw/zinc/20/88/86/545208886.db2.gz PNLNBZARUFAUMW-OLZOCXBDSA-N 2 2 284.404 0.148 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000669461684 545208887 /nfs/dbraw/zinc/20/88/87/545208887.db2.gz PNLNBZARUFAUMW-OLZOCXBDSA-N 2 2 284.404 0.148 20 0 CCADLP [NH3+][C@@H](C(=O)NCC[NH2+]C1CC1)c1c(F)cccc1F ZINC000669510335 545211499 /nfs/dbraw/zinc/21/14/99/545211499.db2.gz JVJKZKFSYLZDEP-GFCCVEGCSA-N 2 2 269.295 0.833 20 0 CCADLP C[C@H](NC(=O)N1CC[NH2+]C(C)(C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000669538374 545213534 /nfs/dbraw/zinc/21/35/34/545213534.db2.gz NZGUCVJQFQJKSE-NWDGAFQWSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@H](NC(=O)N1CC[NH2+]C(C)(C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000669538374 545213535 /nfs/dbraw/zinc/21/35/35/545213535.db2.gz NZGUCVJQFQJKSE-NWDGAFQWSA-N 2 2 284.404 0.099 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669590708 545215812 /nfs/dbraw/zinc/21/58/12/545215812.db2.gz FUMWVIKHPHXBDH-DGCLKSJQSA-N 2 2 290.367 0.984 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCC(F)(F)C2)[C@H](C[NH3+])C1 ZINC000669576338 545215387 /nfs/dbraw/zinc/21/53/87/545215387.db2.gz QGTCJZDWKYUCFF-GHMZBOCLSA-N 2 2 290.358 0.706 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCC(F)(F)C2)[C@H](C[NH3+])C1 ZINC000669576338 545215388 /nfs/dbraw/zinc/21/53/88/545215388.db2.gz QGTCJZDWKYUCFF-GHMZBOCLSA-N 2 2 290.358 0.706 20 0 CCADLP CC[NH2+]CCNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000418324669 528309723 /nfs/dbraw/zinc/30/97/23/528309723.db2.gz KICFHUUGJSSJBC-UHFFFAOYSA-N 2 2 280.372 0.716 20 0 CCADLP CC[N@@H+]1CCN(CC[NH+]2CCO[C@@H](C)C2)C[C@@H]1C ZINC000669691553 545219129 /nfs/dbraw/zinc/21/91/29/545219129.db2.gz KTYOZPAAWSHIDQ-KBPBESRZSA-N 2 2 255.406 0.733 20 0 CCADLP CC[N@H+]1CCN(CC[NH+]2CCO[C@@H](C)C2)C[C@@H]1C ZINC000669691553 545219130 /nfs/dbraw/zinc/21/91/30/545219130.db2.gz KTYOZPAAWSHIDQ-KBPBESRZSA-N 2 2 255.406 0.733 20 0 CCADLP CC[NH+]1CCN(CC[N@H+]2CCO[C@@H](C)C2)C[C@@H]1C ZINC000669691553 545219132 /nfs/dbraw/zinc/21/91/32/545219132.db2.gz KTYOZPAAWSHIDQ-KBPBESRZSA-N 2 2 255.406 0.733 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CC[C@H]2C2CCC2)CC1 ZINC000669846929 545222271 /nfs/dbraw/zinc/22/22/71/545222271.db2.gz DGSAKCVLZGMHTN-KBPBESRZSA-N 2 2 265.401 0.929 20 0 CCADLP CCOC1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000458580334 528539418 /nfs/dbraw/zinc/53/94/18/528539418.db2.gz FLYZBJYKQWPKOB-UHFFFAOYSA-N 2 2 298.431 0.443 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000423875593 528550021 /nfs/dbraw/zinc/55/00/21/528550021.db2.gz RVEXGWCLMAWRPM-QWHCGFSZSA-N 2 2 293.415 0.609 20 0 CCADLP CCOCC[N@@H+]1CCN(CC[NH+]2CCOC[C@@H]2C)C[C@@H]1C ZINC000192712262 528750312 /nfs/dbraw/zinc/75/03/12/528750312.db2.gz DWLZJHUYHXWZKU-HOTGVXAUSA-N 2 2 299.459 0.750 20 0 CCADLP CCOCC[N@H+]1CCN(CC[NH+]2CCOC[C@@H]2C)C[C@@H]1C ZINC000192712262 528750318 /nfs/dbraw/zinc/75/03/18/528750318.db2.gz DWLZJHUYHXWZKU-HOTGVXAUSA-N 2 2 299.459 0.750 20 0 CCADLP CCOCC[NH+]1CCN(CC[N@@H+]2CCOC[C@@H]2C)C[C@@H]1C ZINC000192712262 528750323 /nfs/dbraw/zinc/75/03/23/528750323.db2.gz DWLZJHUYHXWZKU-HOTGVXAUSA-N 2 2 299.459 0.750 20 0 CCADLP CCOCC[NH+]1CCN(CC[N@H+]2CCOC[C@@H]2C)C[C@@H]1C ZINC000192712262 528750329 /nfs/dbraw/zinc/75/03/29/528750329.db2.gz DWLZJHUYHXWZKU-HOTGVXAUSA-N 2 2 299.459 0.750 20 0 CCADLP CCC(CC)[C@H](C(=O)N[C@H](C)[C@H](C)[NH3+])[NH+]1CCOCC1 ZINC000449605644 528842844 /nfs/dbraw/zinc/84/28/44/528842844.db2.gz WTAVPJAZHGHVQC-OUCADQQQSA-N 2 2 285.432 0.975 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672147628 545263067 /nfs/dbraw/zinc/26/30/67/545263067.db2.gz RXQTWVGGLGLQFX-DGCLKSJQSA-N 2 2 262.357 0.798 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672147628 545263068 /nfs/dbraw/zinc/26/30/68/545263068.db2.gz RXQTWVGGLGLQFX-DGCLKSJQSA-N 2 2 262.357 0.798 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](F)C2)CC1 ZINC000451196774 528977668 /nfs/dbraw/zinc/97/76/68/528977668.db2.gz ZLLIZKGODATCNG-NSHDSACASA-N 2 2 257.353 0.631 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](F)C2)CC1 ZINC000451196774 528977672 /nfs/dbraw/zinc/97/76/72/528977672.db2.gz ZLLIZKGODATCNG-NSHDSACASA-N 2 2 257.353 0.631 20 0 CCADLP CCN1CCN(C(=O)/C=C\C[NH+](C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000492721688 529108821 /nfs/dbraw/zinc/10/88/21/529108821.db2.gz SPUGXDFUFJDRIH-SZZPACECSA-N 2 2 291.399 0.733 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)[C@H]2CCC[C@H]2O)CC1 ZINC000352661538 529132610 /nfs/dbraw/zinc/13/26/10/529132610.db2.gz TWLWAXKVZWNHCG-MELADBBJSA-N 2 2 283.416 0.384 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)[C@H]2CCC[C@H]2O)CC1 ZINC000352661538 529132611 /nfs/dbraw/zinc/13/26/11/529132611.db2.gz TWLWAXKVZWNHCG-MELADBBJSA-N 2 2 283.416 0.384 20 0 CCADLP CC[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@@H+]1CCOC ZINC000492856950 529259961 /nfs/dbraw/zinc/25/99/61/529259961.db2.gz CVOIZFOAULDQHL-WSNITJDQSA-N 2 2 292.383 0.992 20 0 CCADLP CC[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@H+]1CCOC ZINC000492856950 529259963 /nfs/dbraw/zinc/25/99/63/529259963.db2.gz CVOIZFOAULDQHL-WSNITJDQSA-N 2 2 292.383 0.992 20 0 CCADLP C[NH+](C)Cc1ccnc(NC(=O)CN2CC[NH+](C)CC2)c1 ZINC000674000360 545298360 /nfs/dbraw/zinc/29/83/60/545298360.db2.gz SKTNTQONMVMZBL-UHFFFAOYSA-N 2 2 291.399 0.329 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000261621124 534929935 /nfs/dbraw/zinc/92/99/35/534929935.db2.gz AEOCGTNNRIUWQV-UHFFFAOYSA-N 2 2 298.431 0.160 20 0 CCADLP COC[C@@H](C)[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000133733190 536549377 /nfs/dbraw/zinc/54/93/77/536549377.db2.gz RXETXALVTAAIIE-CQSZACIVSA-N 2 2 293.415 0.613 20 0 CCADLP C[C@@H](C(=O)NCCc1cn2c([nH+]1)CCCC2)[NH+](C)C ZINC000674285977 545302406 /nfs/dbraw/zinc/30/24/06/545302406.db2.gz BBISTBIJMMKUBF-NSHDSACASA-N 2 2 264.373 0.828 20 0 CCADLP CC(C)n1c[nH+]cc1C[NH2+]CC(=O)N1CCOCC1 ZINC000311264569 535102364 /nfs/dbraw/zinc/10/23/64/535102364.db2.gz DEWXSPIKVWDSNM-UHFFFAOYSA-N 2 2 266.345 0.412 20 0 CCADLP C[C@@H](C[NH2+]C1CCN(c2cnccn2)CC1)[NH+](C)C ZINC000675820069 545331873 /nfs/dbraw/zinc/33/18/73/545331873.db2.gz UGKQESQCBMDYEM-LBPRGKRZSA-N 2 2 263.389 0.985 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCCOC2)CC1 ZINC000675996309 545333584 /nfs/dbraw/zinc/33/35/84/545333584.db2.gz XXPSCVWBKYRIGY-KGLIPLIRSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCCOC2)CC1 ZINC000675996309 545333585 /nfs/dbraw/zinc/33/35/85/545333585.db2.gz XXPSCVWBKYRIGY-KGLIPLIRSA-N 2 2 281.400 0.404 20 0 CCADLP CCOCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000368351685 535538409 /nfs/dbraw/zinc/53/84/09/535538409.db2.gz JPTURKXEGWAQSE-ZBFHGGJFSA-N 2 2 297.443 0.945 20 0 CCADLP CCOCCCNC(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000368351685 535538413 /nfs/dbraw/zinc/53/84/13/535538413.db2.gz JPTURKXEGWAQSE-ZBFHGGJFSA-N 2 2 297.443 0.945 20 0 CCADLP CCOCCCNC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000368351685 535538418 /nfs/dbraw/zinc/53/84/18/535538418.db2.gz JPTURKXEGWAQSE-ZBFHGGJFSA-N 2 2 297.443 0.945 20 0 CCADLP CCOCCCNC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000368351685 535538424 /nfs/dbraw/zinc/53/84/24/535538424.db2.gz JPTURKXEGWAQSE-ZBFHGGJFSA-N 2 2 297.443 0.945 20 0 CCADLP C[NH+]1CCC([N@H+](CCO)C[C@H]2CNc3ccnn3C2)CC1 ZINC000676413992 545343666 /nfs/dbraw/zinc/34/36/66/545343666.db2.gz LYYSITYBJHLMKI-CYBMUJFWSA-N 2 2 293.415 0.313 20 0 CCADLP C[NH+]1CCC([N@@H+](CCO)C[C@H]2CNc3ccnn3C2)CC1 ZINC000676413992 545343667 /nfs/dbraw/zinc/34/36/67/545343667.db2.gz LYYSITYBJHLMKI-CYBMUJFWSA-N 2 2 293.415 0.313 20 0 CCADLP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000676719866 545350251 /nfs/dbraw/zinc/35/02/51/545350251.db2.gz OXZJEIWBQWEDCE-VXGBXAGGSA-N 2 2 262.357 0.656 20 0 CCADLP C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000676719866 545350252 /nfs/dbraw/zinc/35/02/52/545350252.db2.gz OXZJEIWBQWEDCE-VXGBXAGGSA-N 2 2 262.357 0.656 20 0 CCADLP CC[N@H+](CCC(=O)OC)C[C@@H](O)C[NH+](C)C1CC1 ZINC000311155844 535709900 /nfs/dbraw/zinc/70/99/00/535709900.db2.gz OHKGRIMZRLLKPA-LBPRGKRZSA-N 2 2 258.362 0.327 20 0 CCADLP CC[N@@H+](CCC(=O)OC)C[C@@H](O)C[NH+](C)C1CC1 ZINC000311155844 535709905 /nfs/dbraw/zinc/70/99/05/535709905.db2.gz OHKGRIMZRLLKPA-LBPRGKRZSA-N 2 2 258.362 0.327 20 0 CCADLP CC[NH+](CCC(=O)OC)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000311155844 535709909 /nfs/dbraw/zinc/70/99/09/535709909.db2.gz OHKGRIMZRLLKPA-LBPRGKRZSA-N 2 2 258.362 0.327 20 0 CCADLP CC[NH+](CCC(=O)OC)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000311155844 535709917 /nfs/dbraw/zinc/70/99/17/535709917.db2.gz OHKGRIMZRLLKPA-LBPRGKRZSA-N 2 2 258.362 0.327 20 0 CCADLP Cn1cc[nH+]c1CN1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000677046964 545357345 /nfs/dbraw/zinc/35/73/45/545357345.db2.gz MIVBULASRVQNEC-ZDUSSCGKSA-N 2 2 291.399 0.334 20 0 CCADLP Cn1cc[nH+]c1CN1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000677046964 545357346 /nfs/dbraw/zinc/35/73/46/545357346.db2.gz MIVBULASRVQNEC-ZDUSSCGKSA-N 2 2 291.399 0.334 20 0 CCADLP C[NH+](C)CCCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000677083418 545357674 /nfs/dbraw/zinc/35/76/74/545357674.db2.gz LUYSKWRWKFPTBC-ZDUSSCGKSA-N 2 2 291.399 0.911 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC000677195518 545360596 /nfs/dbraw/zinc/36/05/96/545360596.db2.gz ODPYRONAAMFTQY-HUUCEWRRSA-N 2 2 296.459 0.565 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC000677195518 545360597 /nfs/dbraw/zinc/36/05/97/545360597.db2.gz ODPYRONAAMFTQY-HUUCEWRRSA-N 2 2 296.459 0.565 20 0 CCADLP C[NH+](C)CCNC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000677805329 545372827 /nfs/dbraw/zinc/37/28/27/545372827.db2.gz XIEPREPUVLRWOU-UHFFFAOYSA-N 2 2 276.384 0.863 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+]([C@@H]2CCCOC2)CC1 ZINC000678083265 545384103 /nfs/dbraw/zinc/38/41/03/545384103.db2.gz XZBKNPHAIVJFOB-ZIAGYGMSSA-N 2 2 281.400 0.580 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+]([C@@H]2CCCOC2)CC1 ZINC000678083265 545384104 /nfs/dbraw/zinc/38/41/04/545384104.db2.gz XZBKNPHAIVJFOB-ZIAGYGMSSA-N 2 2 281.400 0.580 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000362813576 536355592 /nfs/dbraw/zinc/35/55/92/536355592.db2.gz IBFFWGLRRSRNSB-OAHLLOKOSA-N 2 2 294.443 0.367 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000362813576 536355594 /nfs/dbraw/zinc/35/55/94/536355594.db2.gz IBFFWGLRRSRNSB-OAHLLOKOSA-N 2 2 294.443 0.367 20 0 CCADLP C[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)C(C)(C)O ZINC000679015020 545401124 /nfs/dbraw/zinc/40/11/24/545401124.db2.gz BGAOUUAEBRDQDY-AWEZNQCLSA-N 2 2 299.459 0.532 20 0 CCADLP C[C@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)C(C)(C)O ZINC000679015020 545401125 /nfs/dbraw/zinc/40/11/25/545401125.db2.gz BGAOUUAEBRDQDY-AWEZNQCLSA-N 2 2 299.459 0.532 20 0 CCADLP COCCO[C@H]1C[C@@H](CO)C[N@H+](CC(C)(C)[NH3+])C1 ZINC000261778064 536588493 /nfs/dbraw/zinc/58/84/93/536588493.db2.gz FFEJIYLXOQGBNY-NEPJUHHUSA-N 2 2 260.378 0.070 20 0 CCADLP COCCO[C@H]1C[C@@H](CO)C[N@@H+](CC(C)(C)[NH3+])C1 ZINC000261778064 536588498 /nfs/dbraw/zinc/58/84/98/536588498.db2.gz FFEJIYLXOQGBNY-NEPJUHHUSA-N 2 2 260.378 0.070 20 0 CCADLP COC[C@@H](CO)[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000361134770 536637937 /nfs/dbraw/zinc/63/79/37/536637937.db2.gz ACEFFCRDZWJTNM-CYBMUJFWSA-N 2 2 288.388 0.001 20 0 CCADLP c1cn(-c2cc(N3CC[N@H+]4CCOC[C@@H]4C3)ncn2)c[nH+]1 ZINC000680377381 545427270 /nfs/dbraw/zinc/42/72/70/545427270.db2.gz LYZUKERAOWKCQC-LBPRGKRZSA-N 2 2 286.339 0.183 20 0 CCADLP c1cn(-c2cc(N3CC[N@@H+]4CCOC[C@@H]4C3)ncn2)c[nH+]1 ZINC000680377381 545427271 /nfs/dbraw/zinc/42/72/71/545427271.db2.gz LYZUKERAOWKCQC-LBPRGKRZSA-N 2 2 286.339 0.183 20 0 CCADLP C[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000681654156 545458965 /nfs/dbraw/zinc/45/89/65/545458965.db2.gz AZZJJCGIPCAXEO-VXGBXAGGSA-N 2 2 277.372 0.591 20 0 CCADLP C[N@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000681654156 545458966 /nfs/dbraw/zinc/45/89/66/545458966.db2.gz AZZJJCGIPCAXEO-VXGBXAGGSA-N 2 2 277.372 0.591 20 0 CCADLP CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000682502109 545481018 /nfs/dbraw/zinc/48/10/18/545481018.db2.gz HOWSCCCARIIGKX-QWHCGFSZSA-N 2 2 292.383 0.282 20 0 CCADLP CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000682502109 545481019 /nfs/dbraw/zinc/48/10/19/545481019.db2.gz HOWSCCCARIIGKX-QWHCGFSZSA-N 2 2 292.383 0.282 20 0 CCADLP C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000682501978 545481106 /nfs/dbraw/zinc/48/11/06/545481106.db2.gz BSOFKVZRFCTYQS-STQMWFEESA-N 2 2 276.384 0.856 20 0 CCADLP CCS(=O)(=O)CCCCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000682756039 545489591 /nfs/dbraw/zinc/48/95/91/545489591.db2.gz WWFTXAKGWITWSE-CHWSQXEVSA-N 2 2 274.430 0.743 20 0 CCADLP C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@H]2C1 ZINC000683880341 545575533 /nfs/dbraw/zinc/57/55/33/545575533.db2.gz XPBFTHLLUNRHEM-UPJWGTAASA-N 2 2 274.368 0.466 20 0 CCADLP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@H]2C1 ZINC000683880341 545575537 /nfs/dbraw/zinc/57/55/37/545575537.db2.gz XPBFTHLLUNRHEM-UPJWGTAASA-N 2 2 274.368 0.466 20 0 CCADLP Cc1cc(N[C@@H](CO)C[NH+](C)C)nc(-c2ccncc2)[nH+]1 ZINC000685261999 545805301 /nfs/dbraw/zinc/80/53/01/545805301.db2.gz ILOSSABIDHTLDA-CYBMUJFWSA-N 2 2 287.367 0.603 20 0 CCADLP CCCC(=O)NC1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000685561433 545834035 /nfs/dbraw/zinc/83/40/35/545834035.db2.gz SJXWREGDNCJRHL-OAHLLOKOSA-N 2 2 297.443 0.822 20 0 CCADLP CCCC(=O)NC1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000685561433 545834038 /nfs/dbraw/zinc/83/40/38/545834038.db2.gz SJXWREGDNCJRHL-OAHLLOKOSA-N 2 2 297.443 0.822 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC1[C@H]2C[N@H+](C/C=C\Cl)C[C@@H]12 ZINC000962577772 649904408 /nfs/dbraw/zinc/90/44/08/649904408.db2.gz NTCAMPLEVCAVSG-OXNXRWSJSA-N 2 2 294.786 0.990 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC1[C@H]2C[N@@H+](C/C=C\Cl)C[C@@H]12 ZINC000962577772 649904411 /nfs/dbraw/zinc/90/44/11/649904411.db2.gz NTCAMPLEVCAVSG-OXNXRWSJSA-N 2 2 294.786 0.990 20 0 CCADLP CO[C@H]1CC(=O)N(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000788380667 581109276 /nfs/dbraw/zinc/10/92/76/581109276.db2.gz LINKOLGJZNLNFR-KGLIPLIRSA-N 2 2 291.351 0.740 20 0 CCADLP CO[C@H]1CC(=O)N(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000788380667 581109277 /nfs/dbraw/zinc/10/92/77/581109277.db2.gz LINKOLGJZNLNFR-KGLIPLIRSA-N 2 2 291.351 0.740 20 0 CCADLP CC[C@H]1NC(=O)N([C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000777651741 581128574 /nfs/dbraw/zinc/12/85/74/581128574.db2.gz FKGZLXOPLCHTRC-CHWSQXEVSA-N 2 2 294.399 0.485 20 0 CCADLP CC[C@H]1NC(=O)N([C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000777651741 581128575 /nfs/dbraw/zinc/12/85/75/581128575.db2.gz FKGZLXOPLCHTRC-CHWSQXEVSA-N 2 2 294.399 0.485 20 0 CCADLP O=C1NC2(CO1)CC[NH+](C[C@@H](O)C[NH+]1CCCC1)CC2 ZINC000784458385 581168026 /nfs/dbraw/zinc/16/80/26/581168026.db2.gz ACARQOAXKHLNSB-LBPRGKRZSA-N 2 2 283.372 0.018 20 0 CCADLP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)C[NH+]1CCCC1 ZINC000778953699 581171341 /nfs/dbraw/zinc/17/13/41/581171341.db2.gz QGGYDRDLEXZENA-INIZCTEOSA-N 3 2 298.475 0.012 20 0 CCADLP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)C[NH+]1CCCC1 ZINC000778953699 581171343 /nfs/dbraw/zinc/17/13/43/581171343.db2.gz QGGYDRDLEXZENA-INIZCTEOSA-N 3 2 298.475 0.012 20 0 CCADLP C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[N@@H+]1CCO ZINC000779317016 581180411 /nfs/dbraw/zinc/18/04/11/581180411.db2.gz OFFSTVBMTNAOJG-GFCCVEGCSA-N 2 2 288.351 0.473 20 0 CCADLP C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[N@H+]1CCO ZINC000779317016 581180412 /nfs/dbraw/zinc/18/04/12/581180412.db2.gz OFFSTVBMTNAOJG-GFCCVEGCSA-N 2 2 288.351 0.473 20 0 CCADLP CC[C@H](CO)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000779775272 581203477 /nfs/dbraw/zinc/20/34/77/581203477.db2.gz CIKRRJYVIWNRDD-HIFRSBDPSA-N 2 2 297.443 0.632 20 0 CCADLP CC[C@H](CO)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000779775272 581203479 /nfs/dbraw/zinc/20/34/79/581203479.db2.gz CIKRRJYVIWNRDD-HIFRSBDPSA-N 2 2 297.443 0.632 20 0 CCADLP CC[C@H](CO)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000779775961 581203960 /nfs/dbraw/zinc/20/39/60/581203960.db2.gz JYKLGGKMTFOTDW-OLZOCXBDSA-N 2 2 283.416 0.290 20 0 CCADLP CC[C@H](CO)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000779775961 581203961 /nfs/dbraw/zinc/20/39/61/581203961.db2.gz JYKLGGKMTFOTDW-OLZOCXBDSA-N 2 2 283.416 0.290 20 0 CCADLP CC[C@H](CO)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000779804025 581207262 /nfs/dbraw/zinc/20/72/62/581207262.db2.gz RXWKWNRBYWCUGP-GFCCVEGCSA-N 2 2 271.405 0.147 20 0 CCADLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cnc[nH]3)cn2)CC1 ZINC000796451039 581441107 /nfs/dbraw/zinc/44/11/07/581441107.db2.gz OVAUEICFHDIIQF-UHFFFAOYSA-N 2 2 286.383 0.846 20 0 CCADLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3c[nH]cn3)cn2)CC1 ZINC000796451039 581441109 /nfs/dbraw/zinc/44/11/09/581441109.db2.gz OVAUEICFHDIIQF-UHFFFAOYSA-N 2 2 286.383 0.846 20 0 CCADLP O[C@H]1CCC[C@@H]1[NH+]1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000796451112 581441277 /nfs/dbraw/zinc/44/12/77/581441277.db2.gz PTBBCXCRSOPTFF-STQMWFEESA-N 2 2 250.346 0.441 20 0 CCADLP O[C@H]1CCC[C@@H]1[NH+]1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000796451112 581441279 /nfs/dbraw/zinc/44/12/79/581441279.db2.gz PTBBCXCRSOPTFF-STQMWFEESA-N 2 2 250.346 0.441 20 0 CCADLP CO[C@H](C)C[NH+](C)CC(O)C[N@@H+](C)C[C@@H](C)OC ZINC000796641919 581446954 /nfs/dbraw/zinc/44/69/54/581446954.db2.gz MLEGXHSWFHCPFS-VXGBXAGGSA-N 2 2 262.394 0.281 20 0 CCADLP CO[C@H](C)C[NH+](C)CC(O)C[N@H+](C)C[C@@H](C)OC ZINC000796641919 581446955 /nfs/dbraw/zinc/44/69/55/581446955.db2.gz MLEGXHSWFHCPFS-VXGBXAGGSA-N 2 2 262.394 0.281 20 0 CCADLP Cc1cnn(CC[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000420309656 581580295 /nfs/dbraw/zinc/58/02/95/581580295.db2.gz OZTRSZYAWQMLBS-AWEZNQCLSA-N 2 2 291.399 0.088 20 0 CCADLP Cc1cnn(CC[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000420309656 581580299 /nfs/dbraw/zinc/58/02/99/581580299.db2.gz OZTRSZYAWQMLBS-AWEZNQCLSA-N 2 2 291.399 0.088 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)OCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767544957 581618021 /nfs/dbraw/zinc/61/80/21/581618021.db2.gz AOEZGPYVTCTUBD-MJBXVCDLSA-N 2 2 282.384 0.877 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)OCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767544957 581618023 /nfs/dbraw/zinc/61/80/23/581618023.db2.gz AOEZGPYVTCTUBD-MJBXVCDLSA-N 2 2 282.384 0.877 20 0 CCADLP C[NH+]1CCCC[C@H]1C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767544957 581618026 /nfs/dbraw/zinc/61/80/26/581618026.db2.gz AOEZGPYVTCTUBD-MJBXVCDLSA-N 2 2 282.384 0.877 20 0 CCADLP C[NH+]1CCCC[C@H]1C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767544957 581618028 /nfs/dbraw/zinc/61/80/28/581618028.db2.gz AOEZGPYVTCTUBD-MJBXVCDLSA-N 2 2 282.384 0.877 20 0 CCADLP NS(=O)(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000743851843 581827062 /nfs/dbraw/zinc/82/70/62/581827062.db2.gz SISIZWSYALEDBO-GFCCVEGCSA-N 2 2 275.418 0.083 20 0 CCADLP NS(=O)(=O)CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000743851843 581827064 /nfs/dbraw/zinc/82/70/64/581827064.db2.gz SISIZWSYALEDBO-GFCCVEGCSA-N 2 2 275.418 0.083 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1(C(N)=O)CCCC1 ZINC000772234119 581848302 /nfs/dbraw/zinc/84/83/02/581848302.db2.gz FHJQPFORPMUADA-GFCCVEGCSA-N 2 2 269.389 0.173 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1(C(N)=O)CCCC1 ZINC000772234119 581848304 /nfs/dbraw/zinc/84/83/04/581848304.db2.gz FHJQPFORPMUADA-GFCCVEGCSA-N 2 2 269.389 0.173 20 0 CCADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+](C)C[C@H]2CCCO2)C1 ZINC000760542140 581864007 /nfs/dbraw/zinc/86/40/07/581864007.db2.gz ZNTUHVXOMHRLMV-QWHCGFSZSA-N 2 2 292.383 0.804 20 0 CCADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+](C)C[C@H]2CCCO2)C1 ZINC000760542140 581864008 /nfs/dbraw/zinc/86/40/08/581864008.db2.gz ZNTUHVXOMHRLMV-QWHCGFSZSA-N 2 2 292.383 0.804 20 0 CCADLP C[NH+](C)C1CC[NH+](CCCN2CCOC2=O)CC1 ZINC000749331132 582003474 /nfs/dbraw/zinc/00/34/74/582003474.db2.gz JBHBXZFBSYEVCT-UHFFFAOYSA-N 2 2 255.362 0.855 20 0 CCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000738000789 582013030 /nfs/dbraw/zinc/01/30/30/582013030.db2.gz ZVGGWNWMATWWTR-AWEZNQCLSA-N 2 2 283.416 0.507 20 0 CCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000738000789 582013032 /nfs/dbraw/zinc/01/30/32/582013032.db2.gz ZVGGWNWMATWWTR-AWEZNQCLSA-N 2 2 283.416 0.507 20 0 CCADLP c1cn(-c2ccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cn2)c[nH+]1 ZINC000750040093 582031242 /nfs/dbraw/zinc/03/12/42/582031242.db2.gz SBSHLBIYYBQJDP-OKILXGFUSA-N 3 2 269.352 0.919 20 0 CCADLP c1cn(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cn2)c[nH+]1 ZINC000750040093 582031247 /nfs/dbraw/zinc/03/12/47/582031247.db2.gz SBSHLBIYYBQJDP-OKILXGFUSA-N 3 2 269.352 0.919 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@H+](Cc3ccccn3)C[C@H]21 ZINC000963002825 649907610 /nfs/dbraw/zinc/90/76/10/649907610.db2.gz GXJZWKMNVYZDBB-FOLVSLTJSA-N 2 2 297.362 0.525 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]21 ZINC000963002825 649907614 /nfs/dbraw/zinc/90/76/14/649907614.db2.gz GXJZWKMNVYZDBB-FOLVSLTJSA-N 2 2 297.362 0.525 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCc2ccccn2)C1 ZINC000844222316 617177806 /nfs/dbraw/zinc/17/78/06/617177806.db2.gz ADMNHHZJFRXQEA-VXGBXAGGSA-N 2 2 262.357 0.367 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCc2ccccn2)C1 ZINC000844222316 617177807 /nfs/dbraw/zinc/17/78/07/617177807.db2.gz ADMNHHZJFRXQEA-VXGBXAGGSA-N 2 2 262.357 0.367 20 0 CCADLP CC(C)CC[C@@H](O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000923332507 614060094 /nfs/dbraw/zinc/06/00/94/614060094.db2.gz KIIBQQKWWCKSCB-LSDHHAIUSA-N 2 2 297.443 0.680 20 0 CCADLP CC(C)CC[C@@H](O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000923332507 614060096 /nfs/dbraw/zinc/06/00/96/614060096.db2.gz KIIBQQKWWCKSCB-LSDHHAIUSA-N 2 2 297.443 0.680 20 0 CCADLP CC(C)[C@@](C)(C[NH3+])NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876536009 614181615 /nfs/dbraw/zinc/18/16/15/614181615.db2.gz SRXZEYYBCGTDRE-ISZGNANSSA-N 2 2 269.389 0.364 20 0 CCADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000876781870 613193195 /nfs/dbraw/zinc/19/31/95/613193195.db2.gz KLMHKMQIJWQQJZ-QVWFHYRISA-N 2 2 294.443 0.150 20 0 CCADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000876781872 613210009 /nfs/dbraw/zinc/21/00/09/613210009.db2.gz KLMHKMQIJWQQJZ-XCWUXJFVSA-N 2 2 294.443 0.150 20 0 CCADLP C/C(=C/C(=O)NC[C@@H]1CC[N@@H+](C)C1)C[NH+]1CCOCC1 ZINC000900306472 613237137 /nfs/dbraw/zinc/23/71/37/613237137.db2.gz RIOQUNKNABJZPR-XXYUJHKVSA-N 2 2 281.400 0.333 20 0 CCADLP C/C(=C/C(=O)NC[C@@H]1CC[N@H+](C)C1)C[NH+]1CCOCC1 ZINC000900306472 613237140 /nfs/dbraw/zinc/23/71/40/613237140.db2.gz RIOQUNKNABJZPR-XXYUJHKVSA-N 2 2 281.400 0.333 20 0 CCADLP C/C(=C/C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)C[NH+]1CCOCC1 ZINC000912049726 613237431 /nfs/dbraw/zinc/23/74/31/613237431.db2.gz WIDRYOHUWVMVLI-OJRGUNPPSA-N 2 2 295.427 0.721 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H]2COC(C)(C)O2)CC1 ZINC000852115192 613939388 /nfs/dbraw/zinc/93/93/88/613939388.db2.gz MVZMPJWBEMVVNM-CYBMUJFWSA-N 2 2 286.416 0.963 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000908758440 613941389 /nfs/dbraw/zinc/94/13/89/613941389.db2.gz KNRBTCSLUUNKMZ-PWSUYJOCSA-N 2 2 262.357 0.797 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000908758440 613941391 /nfs/dbraw/zinc/94/13/91/613941391.db2.gz KNRBTCSLUUNKMZ-PWSUYJOCSA-N 2 2 262.357 0.797 20 0 CCADLP CC(C)[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC000979398971 613964830 /nfs/dbraw/zinc/96/48/30/613964830.db2.gz DPPBOLKJFFIOSA-AAEUAGOBSA-N 2 2 280.372 0.566 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000925413009 614013974 /nfs/dbraw/zinc/01/39/74/614013974.db2.gz ZUGZSRLNWHDEDC-CQSZACIVSA-N 2 2 298.431 0.443 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000925413009 614013976 /nfs/dbraw/zinc/01/39/76/614013976.db2.gz ZUGZSRLNWHDEDC-CQSZACIVSA-N 2 2 298.431 0.443 20 0 CCADLP CC(C)CC[C@@H](O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000923332505 614059688 /nfs/dbraw/zinc/05/96/88/614059688.db2.gz KIIBQQKWWCKSCB-HUUCEWRRSA-N 2 2 297.443 0.680 20 0 CCADLP CC(C)CC[C@@H](O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000923332505 614059690 /nfs/dbraw/zinc/05/96/90/614059690.db2.gz KIIBQQKWWCKSCB-HUUCEWRRSA-N 2 2 297.443 0.680 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000949043800 614093222 /nfs/dbraw/zinc/09/32/22/614093222.db2.gz WIODCVUQMKQREH-GJZGRUSLSA-N 2 2 297.443 0.632 20 0 CCADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000949043800 614093225 /nfs/dbraw/zinc/09/32/25/614093225.db2.gz WIODCVUQMKQREH-GJZGRUSLSA-N 2 2 297.443 0.632 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCO)CC1 ZINC000949045735 614093319 /nfs/dbraw/zinc/09/33/19/614093319.db2.gz FBUPPQJSWBLUQF-HNNXBMFYSA-N 2 2 297.443 0.633 20 0 CCADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCO)CC1 ZINC000949045735 614093320 /nfs/dbraw/zinc/09/33/20/614093320.db2.gz FBUPPQJSWBLUQF-HNNXBMFYSA-N 2 2 297.443 0.633 20 0 CCADLP CC(C)CONC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000853888419 614169439 /nfs/dbraw/zinc/16/94/39/614169439.db2.gz UIXBOBZEZCRQDO-UHFFFAOYSA-N 2 2 274.409 0.757 20 0 CCADLP CC(C)CONC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000853888419 614169442 /nfs/dbraw/zinc/16/94/42/614169442.db2.gz UIXBOBZEZCRQDO-UHFFFAOYSA-N 2 2 274.409 0.757 20 0 CCADLP CC(C)C[C@@H]([NH3+])C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000906092752 614192612 /nfs/dbraw/zinc/19/26/12/614192612.db2.gz BSBOXZRYUXTRDV-YNEHKIRRSA-N 2 2 271.405 0.585 20 0 CCADLP CC(C)C[C@@H]([NH3+])C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000906092752 614192614 /nfs/dbraw/zinc/19/26/14/614192614.db2.gz BSBOXZRYUXTRDV-YNEHKIRRSA-N 2 2 271.405 0.585 20 0 CCADLP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000886593699 614201125 /nfs/dbraw/zinc/20/11/25/614201125.db2.gz XGFFGGAFYUUUPE-KGLIPLIRSA-N 2 2 283.416 0.506 20 0 CCADLP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000886593699 614201126 /nfs/dbraw/zinc/20/11/26/614201126.db2.gz XGFFGGAFYUUUPE-KGLIPLIRSA-N 2 2 283.416 0.506 20 0 CCADLP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000886593699 614201127 /nfs/dbraw/zinc/20/11/27/614201127.db2.gz XGFFGGAFYUUUPE-KGLIPLIRSA-N 2 2 283.416 0.506 20 0 CCADLP CC(C)C[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000886593699 614201128 /nfs/dbraw/zinc/20/11/28/614201128.db2.gz XGFFGGAFYUUUPE-KGLIPLIRSA-N 2 2 283.416 0.506 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868423411 614262443 /nfs/dbraw/zinc/26/24/43/614262443.db2.gz IIGVDQGSBHTIJM-GJBLVYBDSA-N 2 2 283.416 0.720 20 0 CCADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868423411 614262445 /nfs/dbraw/zinc/26/24/45/614262445.db2.gz IIGVDQGSBHTIJM-GJBLVYBDSA-N 2 2 283.416 0.720 20 0 CCADLP CC(C)[C@H]1COCC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000926747959 614274799 /nfs/dbraw/zinc/27/47/99/614274799.db2.gz CVIGISCCOTVETK-KFWWJZLASA-N 2 2 297.443 0.977 20 0 CCADLP CC(C)[C@H]1COCC[C@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000926747959 614274801 /nfs/dbraw/zinc/27/48/01/614274801.db2.gz CVIGISCCOTVETK-KFWWJZLASA-N 2 2 297.443 0.977 20 0 CCADLP CCC[N@H+](C[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000903427327 614584459 /nfs/dbraw/zinc/58/44/59/614584459.db2.gz WLJMOICDFLQBAL-FRRDWIJNSA-N 2 2 274.430 0.741 20 0 CCADLP CCC[N@@H+](C[C@@H]1C[NH2+]C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000903427327 614584463 /nfs/dbraw/zinc/58/44/63/614584463.db2.gz WLJMOICDFLQBAL-FRRDWIJNSA-N 2 2 274.430 0.741 20 0 CCADLP CCC[N@H+](C[C@@H](O)COC1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000923286928 614584748 /nfs/dbraw/zinc/58/47/48/614584748.db2.gz QUIBOEFVPVRTMB-UONOGXRCSA-N 2 2 286.416 0.617 20 0 CCADLP CCC[N@@H+](C[C@@H](O)COC1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000923286928 614584749 /nfs/dbraw/zinc/58/47/49/614584749.db2.gz QUIBOEFVPVRTMB-UONOGXRCSA-N 2 2 286.416 0.617 20 0 CCADLP CCC[NH+]1CC(N(CC)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000949830279 614595812 /nfs/dbraw/zinc/59/58/12/614595812.db2.gz HVZXLVJIRVIJPZ-CYBMUJFWSA-N 2 2 269.389 0.260 20 0 CCADLP CCC[NH+]1CC(N(CC)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000949830279 614595815 /nfs/dbraw/zinc/59/58/15/614595815.db2.gz HVZXLVJIRVIJPZ-CYBMUJFWSA-N 2 2 269.389 0.260 20 0 CCADLP CCN(C(=O)NCC[NH+]1CCO[C@@H](C)C1)[C@H]1CC[N@H+](C)C1 ZINC000853605679 614599355 /nfs/dbraw/zinc/59/93/55/614599355.db2.gz NXZSCRWCWYDORX-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP CCN(C(=O)NCC[NH+]1CCO[C@@H](C)C1)[C@H]1CC[N@@H+](C)C1 ZINC000853605679 614599359 /nfs/dbraw/zinc/59/93/59/614599359.db2.gz NXZSCRWCWYDORX-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP CCN(C(=O)NCC[N@@H+]1CCO[C@@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000853605679 614599363 /nfs/dbraw/zinc/59/93/63/614599363.db2.gz NXZSCRWCWYDORX-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP CCN(C(=O)NCC[N@H+]1CCO[C@@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000853605679 614599366 /nfs/dbraw/zinc/59/93/66/614599366.db2.gz NXZSCRWCWYDORX-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)c2cccc(C[NH3+])c2)CCO1 ZINC000828123297 614656631 /nfs/dbraw/zinc/65/66/31/614656631.db2.gz UKNWNKFCKDUMHH-UHFFFAOYSA-N 2 2 291.395 0.986 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)c2cccc(C[NH3+])c2)CCO1 ZINC000828123297 614656634 /nfs/dbraw/zinc/65/66/34/614656634.db2.gz UKNWNKFCKDUMHH-UHFFFAOYSA-N 2 2 291.395 0.986 20 0 CCADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)C1C[NH+](CCC2CC2)C1 ZINC000949830154 614684526 /nfs/dbraw/zinc/68/45/26/614684526.db2.gz DRFXLUBQSKUJOP-OAHLLOKOSA-N 2 2 295.427 0.650 20 0 CCADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1C[NH+](CCC2CC2)C1 ZINC000949830154 614684530 /nfs/dbraw/zinc/68/45/30/614684530.db2.gz DRFXLUBQSKUJOP-OAHLLOKOSA-N 2 2 295.427 0.650 20 0 CCADLP CCC1([NH+](C)C)CC[NH+](CCn2cnnn2)CC1 ZINC000879286281 614700356 /nfs/dbraw/zinc/70/03/56/614700356.db2.gz PJAFCMKXEANIQO-UHFFFAOYSA-N 2 2 252.366 0.479 20 0 CCADLP CC1(C)C[NH2+]CC[C@H](NC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000872275591 614702341 /nfs/dbraw/zinc/70/23/41/614702341.db2.gz JRRDSXXNJQIUNF-NQHOJNORSA-N 2 2 295.427 0.769 20 0 CCADLP CCC1([NH+]2CCC2)CC[NH+](CCn2cnnn2)CC1 ZINC000886720165 614705047 /nfs/dbraw/zinc/70/50/47/614705047.db2.gz VFBMGOJWGVKTCP-UHFFFAOYSA-N 2 2 264.377 0.623 20 0 CCADLP CCC1([NH+]2CCC2)CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000886859770 614705394 /nfs/dbraw/zinc/70/53/94/614705394.db2.gz DZAMZUJLPFNJJW-UHFFFAOYSA-N 3 2 280.460 0.842 20 0 CCADLP CCC1([NH+]2CCC2)CC[NH+](C[C@](C)(O)C(=O)OC)CC1 ZINC000886716158 614706342 /nfs/dbraw/zinc/70/63/42/614706342.db2.gz PXUZREXTVVKNJV-AWEZNQCLSA-N 2 2 284.400 0.861 20 0 CCADLP CC1(C)[C@H](C(=O)NCC[N@@H+]2CCOCC2(C)C)C[C@@H]1[NH3+] ZINC000876753755 614848288 /nfs/dbraw/zinc/84/82/88/614848288.db2.gz NVSKVXTVXYCZOZ-RYUDHWBXSA-N 2 2 283.416 0.587 20 0 CCADLP CC1(C)[C@H](C(=O)NCC[N@H+]2CCOCC2(C)C)C[C@@H]1[NH3+] ZINC000876753755 614848289 /nfs/dbraw/zinc/84/82/89/614848289.db2.gz NVSKVXTVXYCZOZ-RYUDHWBXSA-N 2 2 283.416 0.587 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(CN2CCNC2=O)CC1 ZINC000933580058 614849863 /nfs/dbraw/zinc/84/98/63/614849863.db2.gz RAFBUUMPXVQRFP-CQSZACIVSA-N 2 2 298.431 0.036 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CN2CCNC2=O)CC1 ZINC000933580058 614849865 /nfs/dbraw/zinc/84/98/65/614849865.db2.gz RAFBUUMPXVQRFP-CQSZACIVSA-N 2 2 298.431 0.036 20 0 CCADLP CCCNC(=O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879591254 614850971 /nfs/dbraw/zinc/85/09/71/614850971.db2.gz SEZTULMOCCTHRT-UHFFFAOYSA-N 2 2 282.432 0.224 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC2=C(CCC(=O)N2)C1 ZINC000852295193 614851409 /nfs/dbraw/zinc/85/14/09/614851409.db2.gz BCGVQRMRFJZMRI-GFCCVEGCSA-N 2 2 267.373 0.169 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC2=C(CCC(=O)N2)C1 ZINC000852295193 614851411 /nfs/dbraw/zinc/85/14/11/614851411.db2.gz BCGVQRMRFJZMRI-GFCCVEGCSA-N 2 2 267.373 0.169 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852295193 614851412 /nfs/dbraw/zinc/85/14/12/614851412.db2.gz BCGVQRMRFJZMRI-GFCCVEGCSA-N 2 2 267.373 0.169 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852295193 614851414 /nfs/dbraw/zinc/85/14/14/614851414.db2.gz BCGVQRMRFJZMRI-GFCCVEGCSA-N 2 2 267.373 0.169 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@]1(CC(=O)OC)CCCOC1 ZINC000846857476 614851901 /nfs/dbraw/zinc/85/19/01/614851901.db2.gz JKLKFNPCUNGINK-JSGCOSHPSA-N 2 2 288.388 0.001 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@]1(CC(=O)OC)CCCOC1 ZINC000846857476 614851904 /nfs/dbraw/zinc/85/19/04/614851904.db2.gz JKLKFNPCUNGINK-JSGCOSHPSA-N 2 2 288.388 0.001 20 0 CCADLP CC1([NH+]2CCCCC2)CC[NH+](C[C@H](O)CO)CC1 ZINC000931613393 614912969 /nfs/dbraw/zinc/91/29/69/614912969.db2.gz YFIJWORBBRHJSK-ZDUSSCGKSA-N 2 2 256.390 0.680 20 0 CCADLP CCCONC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000828272188 614949028 /nfs/dbraw/zinc/94/90/28/614949028.db2.gz HFLRJONWZZKZDX-GFCCVEGCSA-N 2 2 284.404 0.796 20 0 CCADLP CCCONC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000828272188 614949030 /nfs/dbraw/zinc/94/90/30/614949030.db2.gz HFLRJONWZZKZDX-GFCCVEGCSA-N 2 2 284.404 0.796 20 0 CCADLP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000957286788 614981136 /nfs/dbraw/zinc/98/11/36/614981136.db2.gz FVLYRFKPTWIWGE-HNNXBMFYSA-N 2 2 297.443 0.778 20 0 CCADLP CCCC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000957286788 614981139 /nfs/dbraw/zinc/98/11/39/614981139.db2.gz FVLYRFKPTWIWGE-HNNXBMFYSA-N 2 2 297.443 0.778 20 0 CCADLP CCC[C@@H](O)C[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880252910 615001165 /nfs/dbraw/zinc/00/11/65/615001165.db2.gz GRZVSSLUCRHEEJ-CQSZACIVSA-N 2 2 297.443 0.953 20 0 CCADLP CC[NH2+]CC1CC(NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000962008263 615081845 /nfs/dbraw/zinc/08/18/45/615081845.db2.gz GZPHWAYKXKKCOP-CPCZMJQVSA-N 2 2 276.384 0.950 20 0 CCADLP CC[NH2+]CCCNC(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000911687488 615085835 /nfs/dbraw/zinc/08/58/35/615085835.db2.gz GYGUTSDZAWOHNZ-UONOGXRCSA-N 2 2 285.432 0.992 20 0 CCADLP CC[NH2+]CCCNC(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000911687488 615085837 /nfs/dbraw/zinc/08/58/37/615085837.db2.gz GYGUTSDZAWOHNZ-UONOGXRCSA-N 2 2 285.432 0.992 20 0 CCADLP CC[NH2+]C[C@@H]1C[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000980743042 615096303 /nfs/dbraw/zinc/09/63/03/615096303.db2.gz GEQRXGDQELSTBN-QWRGUYRKSA-N 2 2 250.346 0.799 20 0 CCADLP CCNS(=O)(=O)CC[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000817912906 615106051 /nfs/dbraw/zinc/10/60/51/615106051.db2.gz YRMGYZNMKYVQSZ-TZMCWYRMSA-N 2 2 299.440 0.474 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000969692515 615119275 /nfs/dbraw/zinc/11/92/75/615119275.db2.gz KPXZICWVCXHIAT-HIFRSBDPSA-N 2 2 295.427 0.840 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000969692515 615119277 /nfs/dbraw/zinc/11/92/77/615119277.db2.gz KPXZICWVCXHIAT-HIFRSBDPSA-N 2 2 295.427 0.840 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC000970816095 615119842 /nfs/dbraw/zinc/11/98/42/615119842.db2.gz NWCKKAGBBXFAJG-KGLIPLIRSA-N 2 2 276.384 0.895 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)S(C)(=O)=O ZINC000848991277 615131736 /nfs/dbraw/zinc/13/17/36/615131736.db2.gz UERATOPYLOOKGB-GHMZBOCLSA-N 2 2 290.433 0.018 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)S(C)(=O)=O ZINC000848991277 615131738 /nfs/dbraw/zinc/13/17/38/615131738.db2.gz UERATOPYLOOKGB-GHMZBOCLSA-N 2 2 290.433 0.018 20 0 CCADLP CC[NH2+][C@H]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000981458398 615134414 /nfs/dbraw/zinc/13/44/14/615134414.db2.gz XGMDAEVNPNFJGI-RYUDHWBXSA-N 2 2 264.373 1.000 20 0 CCADLP CCOC(=O)/C=C\C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000931548428 615146477 /nfs/dbraw/zinc/14/64/77/615146477.db2.gz HIKALDNMVMUKJW-PLNGDYQASA-N 2 2 295.427 0.818 20 0 CCADLP CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H]2C[NH2+]CCOC2)C1 ZINC000925646446 615229135 /nfs/dbraw/zinc/22/91/35/615229135.db2.gz UVQNPYMQWDNCDU-IHRRRGAJSA-N 2 2 299.415 0.821 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC000882487635 615243433 /nfs/dbraw/zinc/24/34/33/615243433.db2.gz XVVSOXIPMZQWDP-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC000882487635 615243434 /nfs/dbraw/zinc/24/34/34/615243434.db2.gz XVVSOXIPMZQWDP-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000922156051 615243942 /nfs/dbraw/zinc/24/39/42/615243942.db2.gz JDXBBLHYJZTIGS-CYBMUJFWSA-N 2 2 276.384 0.972 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000922156051 615243945 /nfs/dbraw/zinc/24/39/45/615243945.db2.gz JDXBBLHYJZTIGS-CYBMUJFWSA-N 2 2 276.384 0.972 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1CCOCC1(C)C ZINC000883321874 615249196 /nfs/dbraw/zinc/24/91/96/615249196.db2.gz OMAUAXUJRKGTJI-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1CCOCC1(C)C ZINC000883321874 615249197 /nfs/dbraw/zinc/24/91/97/615249197.db2.gz OMAUAXUJRKGTJI-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH+]1CC[C@@H]1CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000883321874 615249199 /nfs/dbraw/zinc/24/91/99/615249199.db2.gz OMAUAXUJRKGTJI-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH+]1CC[C@@H]1CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000883321874 615249200 /nfs/dbraw/zinc/24/92/00/615249200.db2.gz OMAUAXUJRKGTJI-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)NCC[NH+](C)CCC[NH+](C)C ZINC000890058189 615249568 /nfs/dbraw/zinc/24/95/68/615249568.db2.gz WAPZGXKRVSQYDT-CQSZACIVSA-N 3 2 299.463 0.263 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)NCC[NH+](C)CCC[NH+](C)C ZINC000890058189 615249570 /nfs/dbraw/zinc/24/95/70/615249570.db2.gz WAPZGXKRVSQYDT-CQSZACIVSA-N 3 2 299.463 0.263 20 0 CCADLP CC[NH+]1CC[C@@H]1CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000890058189 615249572 /nfs/dbraw/zinc/24/95/72/615249572.db2.gz WAPZGXKRVSQYDT-CQSZACIVSA-N 3 2 299.463 0.263 20 0 CCADLP CC[NH+]1CC[C@@H]1CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000890058189 615249574 /nfs/dbraw/zinc/24/95/74/615249574.db2.gz WAPZGXKRVSQYDT-CQSZACIVSA-N 3 2 299.463 0.263 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)N[C@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000883523714 615253914 /nfs/dbraw/zinc/25/39/14/615253914.db2.gz BPBZWHZCLBPSBO-UPJWGTAASA-N 2 2 284.404 0.099 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)N[C@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000883523714 615253918 /nfs/dbraw/zinc/25/39/18/615253918.db2.gz BPBZWHZCLBPSBO-UPJWGTAASA-N 2 2 284.404 0.099 20 0 CCADLP CC[NH+]1CC[C@@H]1CNC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000883523714 615253920 /nfs/dbraw/zinc/25/39/20/615253920.db2.gz BPBZWHZCLBPSBO-UPJWGTAASA-N 2 2 284.404 0.099 20 0 CCADLP CC[NH+]1CC[C@@H]1CNC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000883523714 615253923 /nfs/dbraw/zinc/25/39/23/615253923.db2.gz BPBZWHZCLBPSBO-UPJWGTAASA-N 2 2 284.404 0.099 20 0 CCADLP CCON(C)C(=O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000850339279 615337466 /nfs/dbraw/zinc/33/74/66/615337466.db2.gz OURGBVSDTRLFQD-UHFFFAOYSA-N 2 2 289.339 0.767 20 0 CCADLP CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC000978401111 615431934 /nfs/dbraw/zinc/43/19/34/615431934.db2.gz BTSWYXFYTLWITC-SYQHCUMBSA-N 2 2 288.395 0.759 20 0 CCADLP CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC000978401111 615431935 /nfs/dbraw/zinc/43/19/35/615431935.db2.gz BTSWYXFYTLWITC-SYQHCUMBSA-N 2 2 288.395 0.759 20 0 CCADLP CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC000978369208 615431963 /nfs/dbraw/zinc/43/19/63/615431963.db2.gz IEURALYPZQIBHA-NGFQHRJXSA-N 2 2 288.395 0.759 20 0 CCADLP CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC000978369208 615431965 /nfs/dbraw/zinc/43/19/65/615431965.db2.gz IEURALYPZQIBHA-NGFQHRJXSA-N 2 2 288.395 0.759 20 0 CCADLP CC[C@@H](C[NH+]1CCN(C(=O)CCn2cc[nH+]c2)CC1)OC ZINC000949554299 615475955 /nfs/dbraw/zinc/47/59/55/615475955.db2.gz DOYBNSKBPOOUHA-AWEZNQCLSA-N 2 2 294.399 0.842 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](C)[NH+](C)C ZINC000922742641 615478087 /nfs/dbraw/zinc/47/80/87/615478087.db2.gz JNPFIIQTGOHDTK-STQMWFEESA-N 2 2 286.420 0.347 20 0 CCADLP CCO[C@H](CC[NH+](C)C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000829852102 615479471 /nfs/dbraw/zinc/47/94/71/615479471.db2.gz RDSPMHFBQHPPAR-LLVKDONJSA-N 2 2 268.361 0.425 20 0 CCADLP CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925679787 615485075 /nfs/dbraw/zinc/48/50/75/615485075.db2.gz FEGXMCCIVXXBOU-RYUDHWBXSA-N 2 2 289.445 0.579 20 0 CCADLP CC[C@H](C(=O)N[C@@H](C[NH3+])C1CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911831643 615565099 /nfs/dbraw/zinc/56/50/99/615565099.db2.gz CFQDTGJMZYUEIV-HZSPNIEDSA-N 2 2 283.416 0.729 20 0 CCADLP CC[C@H](C(=O)N[C@@H](C[NH3+])C1CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000911831643 615565100 /nfs/dbraw/zinc/56/51/00/615565100.db2.gz CFQDTGJMZYUEIV-HZSPNIEDSA-N 2 2 283.416 0.729 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C1(C[NH3+])CCCC1 ZINC000877433097 615566926 /nfs/dbraw/zinc/56/69/26/615566926.db2.gz JEDRSXCTLQLPAO-CYBMUJFWSA-N 2 2 283.416 0.733 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C1(C[NH3+])CCCC1 ZINC000877433097 615566927 /nfs/dbraw/zinc/56/69/27/615566927.db2.gz JEDRSXCTLQLPAO-CYBMUJFWSA-N 2 2 283.416 0.733 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H](C)[NH+](C)C ZINC000875645206 615567741 /nfs/dbraw/zinc/56/77/41/615567741.db2.gz TTYWQKSYXJMWHP-QWHCGFSZSA-N 2 2 286.420 0.347 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H](C)[NH+](C)C ZINC000875645206 615567742 /nfs/dbraw/zinc/56/77/42/615567742.db2.gz TTYWQKSYXJMWHP-QWHCGFSZSA-N 2 2 286.420 0.347 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000877435200 615568798 /nfs/dbraw/zinc/56/87/98/615568798.db2.gz ZEXPNXPBSSKETR-QLFBSQMISA-N 2 2 295.427 0.744 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000877435200 615568799 /nfs/dbraw/zinc/56/87/99/615568799.db2.gz ZEXPNXPBSSKETR-QLFBSQMISA-N 2 2 295.427 0.744 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N[C@H](CO)c2c[nH+]cn2C)CC[N@@H+]1C ZINC000898891661 615585491 /nfs/dbraw/zinc/58/54/91/615585491.db2.gz JKQHWHBNJNFOJI-QJPTWQEYSA-N 2 2 280.372 0.300 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N[C@H](CO)c2c[nH+]cn2C)CC[N@H+]1C ZINC000898891661 615585492 /nfs/dbraw/zinc/58/54/92/615585492.db2.gz JKQHWHBNJNFOJI-QJPTWQEYSA-N 2 2 280.372 0.300 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000928640089 615718336 /nfs/dbraw/zinc/71/83/36/615718336.db2.gz JUJPNTJHSBGCOK-CHWSQXEVSA-N 2 2 269.389 0.165 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000928640089 615718337 /nfs/dbraw/zinc/71/83/37/615718337.db2.gz JUJPNTJHSBGCOK-CHWSQXEVSA-N 2 2 269.389 0.165 20 0 CCADLP CN(C(=O)C12CC[NH+](CC1)C2)C(C)(C)C[NH+]1CCOCC1 ZINC000910573093 615788468 /nfs/dbraw/zinc/78/84/68/615788468.db2.gz NXTQDDFSZAMTCK-UHFFFAOYSA-N 2 2 295.427 0.651 20 0 CCADLP C[NH+](C)C1CC[NH+](C[C@@H]2C[C@H]3COC[C@H]3O2)CC1 ZINC000929265125 615857236 /nfs/dbraw/zinc/85/72/36/615857236.db2.gz YDZOEGKNZMFWKD-FPMFFAJLSA-N 2 2 254.374 0.816 20 0 CCADLP C[NH+](C)CCCCC(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913447539 615876339 /nfs/dbraw/zinc/87/63/39/615876339.db2.gz MMMKAQARYQGOPE-CYBMUJFWSA-N 2 2 279.388 0.615 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CC1(C)COC1 ZINC000824958400 615878371 /nfs/dbraw/zinc/87/83/71/615878371.db2.gz XNJANXDDGXHHCE-UHFFFAOYSA-N 2 2 271.405 0.413 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CC1(C)COC1 ZINC000824958400 615878373 /nfs/dbraw/zinc/87/83/73/615878373.db2.gz XNJANXDDGXHHCE-UHFFFAOYSA-N 2 2 271.405 0.413 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccnnc1 ZINC000855414731 615880227 /nfs/dbraw/zinc/88/02/27/615880227.db2.gz KDUDLGVNOQKCOO-UHFFFAOYSA-N 2 2 265.361 0.090 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccnnc1 ZINC000855414731 615880228 /nfs/dbraw/zinc/88/02/28/615880228.db2.gz KDUDLGVNOQKCOO-UHFFFAOYSA-N 2 2 265.361 0.090 20 0 CCADLP C[NH+](C)CCN1CCN(C(=O)CNc2cccc[nH+]2)CC1 ZINC000900007930 615898121 /nfs/dbraw/zinc/89/81/21/615898121.db2.gz VNENOBGFHYPSAA-UHFFFAOYSA-N 2 2 291.399 0.199 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](CCCc2cccnc2)CC1=O ZINC000930846485 615898722 /nfs/dbraw/zinc/89/87/22/615898722.db2.gz BYOPNXQPYGBOFV-UHFFFAOYSA-N 2 2 290.411 0.720 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](CCCc2cccnc2)CC1=O ZINC000930846485 615898725 /nfs/dbraw/zinc/89/87/25/615898725.db2.gz BYOPNXQPYGBOFV-UHFFFAOYSA-N 2 2 290.411 0.720 20 0 CCADLP C[NH+](C)C[C@@H](CO)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935982235 615925218 /nfs/dbraw/zinc/92/52/18/615925218.db2.gz WTVWKCTUNUKJSB-JTQLQIEISA-N 2 2 262.313 0.215 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)o2)C1 ZINC000825860838 615927875 /nfs/dbraw/zinc/92/78/75/615927875.db2.gz YCEHQSSTLMKWGD-JTQLQIEISA-N 2 2 276.344 0.843 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)o2)C1 ZINC000825860838 615927877 /nfs/dbraw/zinc/92/78/77/615927877.db2.gz YCEHQSSTLMKWGD-JTQLQIEISA-N 2 2 276.344 0.843 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000877432247 615927868 /nfs/dbraw/zinc/92/78/68/615927868.db2.gz BUPPKBHJAUGCIB-DZGCQCFKSA-N 2 2 283.416 0.603 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000877432247 615927872 /nfs/dbraw/zinc/92/78/72/615927872.db2.gz BUPPKBHJAUGCIB-DZGCQCFKSA-N 2 2 283.416 0.603 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CN(C3CC3)C(=O)O2)C1 ZINC000844295431 615946226 /nfs/dbraw/zinc/94/62/26/615946226.db2.gz BEJLHMCXDCWCIO-YPMHNXCESA-N 2 2 267.373 0.853 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CN(C3CC3)C(=O)O2)C1 ZINC000844295431 615946229 /nfs/dbraw/zinc/94/62/29/615946229.db2.gz BEJLHMCXDCWCIO-YPMHNXCESA-N 2 2 267.373 0.853 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)o2)C1 ZINC000825860839 615946572 /nfs/dbraw/zinc/94/65/72/615946572.db2.gz YCEHQSSTLMKWGD-SNVBAGLBSA-N 2 2 276.344 0.843 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)o2)C1 ZINC000825860839 615946575 /nfs/dbraw/zinc/94/65/75/615946575.db2.gz YCEHQSSTLMKWGD-SNVBAGLBSA-N 2 2 276.344 0.843 20 0 CCADLP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C)cc1 ZINC000921413386 615954575 /nfs/dbraw/zinc/95/45/75/615954575.db2.gz KQIBLWVIHAAICO-ZDUSSCGKSA-N 2 2 297.424 0.731 20 0 CCADLP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C)cc1 ZINC000921413386 615954576 /nfs/dbraw/zinc/95/45/76/615954576.db2.gz KQIBLWVIHAAICO-ZDUSSCGKSA-N 2 2 297.424 0.731 20 0 CCADLP C[NH+](C)Cc1ccnc(NC(=O)N2CC[NH+](C)CC2)c1 ZINC000880595853 615955972 /nfs/dbraw/zinc/95/59/72/615955972.db2.gz ZSIQJPPEFIABNF-UHFFFAOYSA-N 2 2 277.372 0.923 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000866363185 615976565 /nfs/dbraw/zinc/97/65/65/615976565.db2.gz KEZVZJGVFNAGEN-HYBGQWMJSA-N 2 2 295.427 0.864 20 0 CCADLP C[NH+](C)[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1(C)C ZINC000824095142 615995796 /nfs/dbraw/zinc/99/57/96/615995796.db2.gz QAOFQXYMNHQKPI-UWVGGRQHSA-N 2 2 250.346 0.797 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H](O)C[C@@H](O)c3ccccc3)C[C@H]21 ZINC000931276365 615997880 /nfs/dbraw/zinc/99/78/80/615997880.db2.gz GENZKSZAFNBZMS-UUAJXVIYSA-N 2 2 290.407 0.963 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H](O)C[C@@H](O)c3ccccc3)C[C@H]21 ZINC000931276365 615997882 /nfs/dbraw/zinc/99/78/82/615997882.db2.gz GENZKSZAFNBZMS-UUAJXVIYSA-N 2 2 290.407 0.963 20 0 CCADLP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2C[NH2+]CCOC2)C1 ZINC000925500326 615998695 /nfs/dbraw/zinc/99/86/95/615998695.db2.gz YDBWNRJROBVXEO-AGIUHOORSA-N 2 2 269.389 0.211 20 0 CCADLP CN(C)c1cc[nH+]c(C[NH2+]C[C@@H](O)Cn2cccn2)c1 ZINC000905524189 616028002 /nfs/dbraw/zinc/02/80/02/616028002.db2.gz GCSQLYLVSBREHY-CQSZACIVSA-N 2 2 275.356 0.495 20 0 CCADLP CN(C)C(=O)C[N@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873201771 616042005 /nfs/dbraw/zinc/04/20/05/616042005.db2.gz WMAIOQZBNLYAOT-UHFFFAOYSA-N 2 2 267.398 0.914 20 0 CCADLP CN(C)C(=O)C[N@@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873201771 616042006 /nfs/dbraw/zinc/04/20/06/616042006.db2.gz WMAIOQZBNLYAOT-UHFFFAOYSA-N 2 2 267.398 0.914 20 0 CCADLP C[N@@H+](Cc1ccon1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903733211 616087696 /nfs/dbraw/zinc/08/76/96/616087696.db2.gz IYZLHMNIICFMIP-STQMWFEESA-N 2 2 251.330 0.875 20 0 CCADLP C[N@H+](Cc1ccon1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903733211 616087698 /nfs/dbraw/zinc/08/76/98/616087698.db2.gz IYZLHMNIICFMIP-STQMWFEESA-N 2 2 251.330 0.875 20 0 CCADLP Cn1c(C[N@H+](C)C2(C[NH3+])CCCCC2)cc(=O)n(C)c1=O ZINC000883453438 616164280 /nfs/dbraw/zinc/16/42/80/616164280.db2.gz PIZYNMOWWQUUJQ-UHFFFAOYSA-N 2 2 294.399 0.177 20 0 CCADLP Cn1c(C[N@@H+](C)C2(C[NH3+])CCCCC2)cc(=O)n(C)c1=O ZINC000883453438 616164281 /nfs/dbraw/zinc/16/42/81/616164281.db2.gz PIZYNMOWWQUUJQ-UHFFFAOYSA-N 2 2 294.399 0.177 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NOCC3CC3)C2)CC1 ZINC000838609040 616171967 /nfs/dbraw/zinc/17/19/67/616171967.db2.gz HVXGARHHEWPFSV-CYBMUJFWSA-N 2 2 296.415 0.796 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NOCC3CC3)C2)CC1 ZINC000838609040 616171969 /nfs/dbraw/zinc/17/19/69/616171969.db2.gz HVXGARHHEWPFSV-CYBMUJFWSA-N 2 2 296.415 0.796 20 0 CCADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCOC[C@H]2CC2CC2)CC1 ZINC000933203329 616173434 /nfs/dbraw/zinc/17/34/34/616173434.db2.gz PBLKKLPCSOLMPJ-OAHLLOKOSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC(NC(=O)C[N@H+]2CCOC[C@H]2CC2CC2)CC1 ZINC000933203329 616173435 /nfs/dbraw/zinc/17/34/35/616173435.db2.gz PBLKKLPCSOLMPJ-OAHLLOKOSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+](CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)C1CC1 ZINC000914784077 616177120 /nfs/dbraw/zinc/17/71/20/616177120.db2.gz WSWAUGFGOHJQHQ-UHFFFAOYSA-N 2 2 266.345 0.054 20 0 CCADLP C[N@@H+](CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)C1CC1 ZINC000914784077 616177121 /nfs/dbraw/zinc/17/71/21/616177121.db2.gz WSWAUGFGOHJQHQ-UHFFFAOYSA-N 2 2 266.345 0.054 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NCCn1cc[nH+]c1 ZINC000891558790 616198550 /nfs/dbraw/zinc/19/85/50/616198550.db2.gz VPYHKFPFCDLZIY-QWHCGFSZSA-N 2 2 277.372 0.761 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NCCn1cc[nH+]c1 ZINC000891558790 616198551 /nfs/dbraw/zinc/19/85/51/616198551.db2.gz VPYHKFPFCDLZIY-QWHCGFSZSA-N 2 2 277.372 0.761 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H](O)COC1CCOCC1 ZINC000880135523 616199495 /nfs/dbraw/zinc/19/94/95/616199495.db2.gz WRFFOUSGNHTPPO-VNQPRFMTSA-N 2 2 298.427 0.711 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H](O)COC1CCOCC1 ZINC000880135523 616199496 /nfs/dbraw/zinc/19/94/96/616199496.db2.gz WRFFOUSGNHTPPO-VNQPRFMTSA-N 2 2 298.427 0.711 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H](O)COC1CCOCC1 ZINC000880135523 616199497 /nfs/dbraw/zinc/19/94/97/616199497.db2.gz WRFFOUSGNHTPPO-VNQPRFMTSA-N 2 2 298.427 0.711 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H](O)COC1CCOCC1 ZINC000880135523 616199498 /nfs/dbraw/zinc/19/94/98/616199498.db2.gz WRFFOUSGNHTPPO-VNQPRFMTSA-N 2 2 298.427 0.711 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]CC2(C)CCCC2)CC1 ZINC000111621177 616223531 /nfs/dbraw/zinc/22/35/31/616223531.db2.gz FNWBSEOBJBIENC-UHFFFAOYSA-N 2 2 253.390 0.930 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000924839387 616223732 /nfs/dbraw/zinc/22/37/32/616223732.db2.gz LXCMHXGVRSZUIM-GJZGRUSLSA-N 2 2 294.443 0.367 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000872029195 616223759 /nfs/dbraw/zinc/22/37/59/616223759.db2.gz OYTUTZCUUZWCCF-KBPBESRZSA-N 2 2 297.443 0.944 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC1 ZINC000902776354 616223799 /nfs/dbraw/zinc/22/37/99/616223799.db2.gz IIZKTQDARLBYLA-QZPUYBJASA-N 2 2 293.411 0.164 20 0 CCADLP Cn1ncc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)n1 ZINC000816610755 616240195 /nfs/dbraw/zinc/24/01/95/616240195.db2.gz XCSPCBKIUGZGHU-UHFFFAOYSA-N 2 2 292.431 0.275 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)NC[C@@H]2CC[NH+]2C)C[C@@H]1C ZINC000925405368 616360540 /nfs/dbraw/zinc/36/05/40/616360540.db2.gz GANSLMZOEQFHGM-STQMWFEESA-N 2 2 284.404 0.053 20 0 CCADLP COCC[N@H+]1CCN(C(=O)NC[C@@H]2CC[NH+]2C)C[C@@H]1C ZINC000925405368 616360547 /nfs/dbraw/zinc/36/05/47/616360547.db2.gz GANSLMZOEQFHGM-STQMWFEESA-N 2 2 284.404 0.053 20 0 CCADLP COCC[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C)C[C@@H]1C ZINC000925405368 616360550 /nfs/dbraw/zinc/36/05/50/616360550.db2.gz GANSLMZOEQFHGM-STQMWFEESA-N 2 2 284.404 0.053 20 0 CCADLP COCC[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C)C[C@@H]1C ZINC000925405368 616360556 /nfs/dbraw/zinc/36/05/56/616360556.db2.gz GANSLMZOEQFHGM-STQMWFEESA-N 2 2 284.404 0.053 20 0 CCADLP COC(=O)[C@H]1CN(Cc2[nH]c(C)c(C)[nH+]2)CC[N@H+](C)C1 ZINC000862392324 616386842 /nfs/dbraw/zinc/38/68/42/616386842.db2.gz JGOSYZCNKVEYGL-GFCCVEGCSA-N 2 2 280.372 0.563 20 0 CCADLP COC(=O)[C@H]1CN(Cc2[nH]c(C)c(C)[nH+]2)CC[N@@H+](C)C1 ZINC000862392324 616386847 /nfs/dbraw/zinc/38/68/47/616386847.db2.gz JGOSYZCNKVEYGL-GFCCVEGCSA-N 2 2 280.372 0.563 20 0 CCADLP COC(=O)C1=NO[C@@]2(CC[N@H+](CC[C@H]3CCC[NH+]3C)C2)C1 ZINC000879483546 616436301 /nfs/dbraw/zinc/43/63/01/616436301.db2.gz IXDNAKWSQASVFP-DOMZBBRYSA-N 2 2 295.383 0.865 20 0 CCADLP COC(=O)C1=NO[C@@]2(CC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)C1 ZINC000879483546 616436305 /nfs/dbraw/zinc/43/63/05/616436305.db2.gz IXDNAKWSQASVFP-DOMZBBRYSA-N 2 2 295.383 0.865 20 0 CCADLP COC(=O)C1=NO[C@@]2(CC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)C1 ZINC000879483546 616436308 /nfs/dbraw/zinc/43/63/08/616436308.db2.gz IXDNAKWSQASVFP-DOMZBBRYSA-N 2 2 295.383 0.865 20 0 CCADLP COC(=O)C1=NO[C@@]2(CC[NH+](CC[C@H]3CCC[N@H+]3C)C2)C1 ZINC000879483546 616436312 /nfs/dbraw/zinc/43/63/12/616436312.db2.gz IXDNAKWSQASVFP-DOMZBBRYSA-N 2 2 295.383 0.865 20 0 CCADLP COC(=O)C1=NO[C@]2(CC[N@H+](CCCn3cc[nH+]c3)C2)C1 ZINC000879484115 616439246 /nfs/dbraw/zinc/43/92/46/616439246.db2.gz PQMNSHRXJZMQSP-CQSZACIVSA-N 2 2 292.339 0.667 20 0 CCADLP COC(=O)C1=NO[C@]2(CC[N@@H+](CCCn3cc[nH+]c3)C2)C1 ZINC000879484115 616439250 /nfs/dbraw/zinc/43/92/50/616439250.db2.gz PQMNSHRXJZMQSP-CQSZACIVSA-N 2 2 292.339 0.667 20 0 CCADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000900446035 616469106 /nfs/dbraw/zinc/46/91/06/616469106.db2.gz KEGRJJAQIVDESX-DOMZBBRYSA-N 2 2 292.383 0.571 20 0 CCADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000900446035 616469109 /nfs/dbraw/zinc/46/91/09/616469109.db2.gz KEGRJJAQIVDESX-DOMZBBRYSA-N 2 2 292.383 0.571 20 0 CCADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000900541845 616471121 /nfs/dbraw/zinc/47/11/21/616471121.db2.gz RJVMWHYWHAHYPF-ZOWXZIJZSA-N 2 2 292.383 0.571 20 0 CCADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000900541845 616471124 /nfs/dbraw/zinc/47/11/24/616471124.db2.gz RJVMWHYWHAHYPF-ZOWXZIJZSA-N 2 2 292.383 0.571 20 0 CCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000867998979 616515350 /nfs/dbraw/zinc/51/53/50/616515350.db2.gz NYDBTNXWQLRJPS-HIFRSBDPSA-N 2 2 289.379 0.668 20 0 CCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000867998979 616515353 /nfs/dbraw/zinc/51/53/53/616515353.db2.gz NYDBTNXWQLRJPS-HIFRSBDPSA-N 2 2 289.379 0.668 20 0 CCADLP COCCOC[C@H](O)C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923531674 616567186 /nfs/dbraw/zinc/56/71/86/616567186.db2.gz VIOLCXJWKZDXPF-KGLIPLIRSA-N 2 2 272.389 0.228 20 0 CCADLP COCCOC[C@H](O)C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923531674 616567188 /nfs/dbraw/zinc/56/71/88/616567188.db2.gz VIOLCXJWKZDXPF-KGLIPLIRSA-N 2 2 272.389 0.228 20 0 CCADLP COCC[C@H]([NH3+])C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000884202579 616677787 /nfs/dbraw/zinc/67/77/87/616677787.db2.gz CEOFXHVDWIGYTO-AWEZNQCLSA-N 2 2 288.351 0.852 20 0 CCADLP CNC(=O)N1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873207209 616693521 /nfs/dbraw/zinc/69/35/21/616693521.db2.gz KZBVGDWAZDQGDW-UHFFFAOYSA-N 2 2 294.424 0.851 20 0 CCADLP CNC(=O)NC(=O)CC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931309468 616695132 /nfs/dbraw/zinc/69/51/32/616695132.db2.gz XPMZNOPGYFNKRV-KBPBESRZSA-N 2 2 282.388 0.106 20 0 CCADLP COC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]c[nH+]c1C ZINC000962405101 616816417 /nfs/dbraw/zinc/81/64/17/616816417.db2.gz LUNNEKUEHHUFAP-NYMYIZQJSA-N 2 2 292.383 0.342 20 0 CCADLP COC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]c[nH+]c1C ZINC000962405101 616816421 /nfs/dbraw/zinc/81/64/21/616816421.db2.gz LUNNEKUEHHUFAP-NYMYIZQJSA-N 2 2 292.383 0.342 20 0 CCADLP COCCCC1(C[NH2+]CC(=O)N2CC[NH+](C)CC2)CCC1 ZINC000892715529 616857108 /nfs/dbraw/zinc/85/71/08/616857108.db2.gz XVJUKZIEPSFFTG-UHFFFAOYSA-N 2 2 297.443 0.947 20 0 CCADLP CO[C@H]1C[C@@H](C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000878292666 616860013 /nfs/dbraw/zinc/86/00/13/616860013.db2.gz PWZKPCUWEFEBBQ-CFVMTHIKSA-N 2 2 295.427 0.826 20 0 CCADLP CO[C@H]1C[C@@H](C[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000878292666 616860017 /nfs/dbraw/zinc/86/00/17/616860017.db2.gz PWZKPCUWEFEBBQ-CFVMTHIKSA-N 2 2 295.427 0.826 20 0 CCADLP CO[C@@H]1C[C@H]1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000931217709 616882384 /nfs/dbraw/zinc/88/23/84/616882384.db2.gz WOXIPMVFMISZGD-HUUCEWRRSA-N 2 2 295.427 0.696 20 0 CCADLP CO[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932620625 616887040 /nfs/dbraw/zinc/88/70/40/616887040.db2.gz ABBDCWXCJQIPOQ-MRVWCRGKSA-N 2 2 281.400 0.306 20 0 CCADLP CO[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932620625 616887044 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C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000911863223 616998927 /nfs/dbraw/zinc/99/89/27/616998927.db2.gz BHKKKDLWBRBSTJ-ZYHUDNBSSA-N 2 2 250.346 0.799 20 0 CCADLP C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000911863223 616998934 /nfs/dbraw/zinc/99/89/34/616998934.db2.gz BHKKKDLWBRBSTJ-ZYHUDNBSSA-N 2 2 250.346 0.799 20 0 CCADLP CON(C)C(=O)CC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931520326 617011449 /nfs/dbraw/zinc/01/14/49/617011449.db2.gz YNRASSMFQYADLN-UHFFFAOYSA-N 2 2 264.329 0.432 20 0 CCADLP CON(C)C(=O)CC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931520326 617011453 /nfs/dbraw/zinc/01/14/53/617011453.db2.gz YNRASSMFQYADLN-UHFFFAOYSA-N 2 2 264.329 0.432 20 0 CCADLP COCC[N@H+](CCF)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903932528 617012321 /nfs/dbraw/zinc/01/23/21/617012321.db2.gz DGIQHQBDYYNHQF-ZDUSSCGKSA-N 2 2 286.395 0.764 20 0 CCADLP COCC[N@@H+](CCF)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903932528 617012325 /nfs/dbraw/zinc/01/23/25/617012325.db2.gz DGIQHQBDYYNHQF-ZDUSSCGKSA-N 2 2 286.395 0.764 20 0 CCADLP COCC[N@H+](CCc1cn[nH]n1)CC1CC[NH+](C)CC1 ZINC000879126794 617024323 /nfs/dbraw/zinc/02/43/23/617024323.db2.gz MUMKQFWJKQHLCZ-UHFFFAOYSA-N 2 2 281.404 0.637 20 0 CCADLP COCC[N@@H+](CCc1cn[nH]n1)CC1CC[NH+](C)CC1 ZINC000879126794 617024326 /nfs/dbraw/zinc/02/43/26/617024326.db2.gz MUMKQFWJKQHLCZ-UHFFFAOYSA-N 2 2 281.404 0.637 20 0 CCADLP CNS(=O)(=O)[C@@H]1CCC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904320409 617032432 /nfs/dbraw/zinc/03/24/32/617032432.db2.gz GLIXZFOFJPORNN-CHWSQXEVSA-N 2 2 289.445 0.390 20 0 CCADLP CNS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904320409 617032436 /nfs/dbraw/zinc/03/24/36/617032436.db2.gz GLIXZFOFJPORNN-CHWSQXEVSA-N 2 2 289.445 0.390 20 0 CCADLP COC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000961888405 617071939 /nfs/dbraw/zinc/07/19/39/617071939.db2.gz NAWUAGRXMPWHIQ-PQFRYHKHSA-N 2 2 278.356 0.034 20 0 CCADLP COC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000961888405 617071943 /nfs/dbraw/zinc/07/19/43/617071943.db2.gz NAWUAGRXMPWHIQ-PQFRYHKHSA-N 2 2 278.356 0.034 20 0 CCADLP CON1CC[C@@H]([N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000930557309 617094293 /nfs/dbraw/zinc/09/42/93/617094293.db2.gz DNXCFVXBNRVRCN-DGCLKSJQSA-N 2 2 253.346 0.176 20 0 CCADLP CON1CC[C@@H]([N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000930557309 617094295 /nfs/dbraw/zinc/09/42/95/617094295.db2.gz DNXCFVXBNRVRCN-DGCLKSJQSA-N 2 2 253.346 0.176 20 0 CCADLP CON1CC[C@@H]([NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)C1=O ZINC000930557309 617094297 /nfs/dbraw/zinc/09/42/97/617094297.db2.gz DNXCFVXBNRVRCN-DGCLKSJQSA-N 2 2 253.346 0.176 20 0 CCADLP CON1CC[C@@H]([NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000930557309 617094299 /nfs/dbraw/zinc/09/42/99/617094299.db2.gz DNXCFVXBNRVRCN-DGCLKSJQSA-N 2 2 253.346 0.176 20 0 CCADLP CON1CC[C@H]([N@@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)C1=O ZINC000931764991 617098528 /nfs/dbraw/zinc/09/85/28/617098528.db2.gz USNBRUSGHQAYHD-OCCSQVGLSA-N 2 2 290.367 0.754 20 0 CCADLP CON1CC[C@H]([N@H+]2CCN(c3cc[nH+]cc3)C[C@H]2C)C1=O ZINC000931764991 617098530 /nfs/dbraw/zinc/09/85/30/617098530.db2.gz USNBRUSGHQAYHD-OCCSQVGLSA-N 2 2 290.367 0.754 20 0 CCADLP COc1c(C)c[nH+]c(CNC(=O)N[C@H]2CC[NH2+]C2)c1C ZINC000841764198 617145867 /nfs/dbraw/zinc/14/58/67/617145867.db2.gz FIEWHGPLOUVZIE-NSHDSACASA-N 2 2 278.356 0.868 20 0 CCADLP O[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)COCC1CC1 ZINC000925619036 625454711 /nfs/dbraw/zinc/45/47/11/625454711.db2.gz ZTETWVJOKNTEFF-STQMWFEESA-N 2 2 254.374 0.648 20 0 CCADLP O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001022691581 622659557 /nfs/dbraw/zinc/65/95/57/622659557.db2.gz VOTDTTTWNLDEOE-OUAUKWLOSA-N 2 2 278.356 0.059 20 0 CCADLP C[C@H]1NC(=O)N(CC[N@@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)C1=O ZINC000931319185 625605170 /nfs/dbraw/zinc/60/51/70/625605170.db2.gz XLFRSTAAPFQWEH-DFBGVHRSSA-N 2 2 294.399 0.200 20 0 CCADLP C[C@H]1NC(=O)N(CC[N@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)C1=O ZINC000931319185 625605180 /nfs/dbraw/zinc/60/51/80/625605180.db2.gz XLFRSTAAPFQWEH-DFBGVHRSSA-N 2 2 294.399 0.200 20 0 CCADLP C[C@H]1NC(=O)N(CC[NH+]2C[C@@]3(C)C[N@H+](C)C[C@@]3(C)C2)C1=O ZINC000931319185 625605187 /nfs/dbraw/zinc/60/51/87/625605187.db2.gz XLFRSTAAPFQWEH-DFBGVHRSSA-N 2 2 294.399 0.200 20 0 CCADLP C[C@H]1NC(=O)N(CC[NH+]2C[C@@]3(C)C[N@@H+](C)C[C@@]3(C)C2)C1=O ZINC000931319185 625605191 /nfs/dbraw/zinc/60/51/91/625605191.db2.gz XLFRSTAAPFQWEH-DFBGVHRSSA-N 2 2 294.399 0.200 20 0 CCADLP CCCNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000052043310 623365162 /nfs/dbraw/zinc/36/51/62/623365162.db2.gz UHBGUOFUMYZPGY-CYBMUJFWSA-N 2 2 269.437 0.782 20 0 CCADLP C[C@H](Cc1ccccn1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000926747384 623512277 /nfs/dbraw/zinc/51/22/77/623512277.db2.gz ASPZFGOFSOAJRT-HIFRSBDPSA-N 2 2 290.411 0.942 20 0 CCADLP C[C@H](Cc1ccccn1)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000926747384 623512287 /nfs/dbraw/zinc/51/22/87/623512287.db2.gz ASPZFGOFSOAJRT-HIFRSBDPSA-N 2 2 290.411 0.942 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)N(C)[C@@H]2CCC[NH+](C)C2)CCO1 ZINC000892596244 623572966 /nfs/dbraw/zinc/57/29/66/623572966.db2.gz ODJAEFKWABJVER-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)N(C)[C@@H]2CCC[NH+](C)C2)CCO1 ZINC000892596244 623572972 /nfs/dbraw/zinc/57/29/72/623572972.db2.gz ODJAEFKWABJVER-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)CCO1 ZINC000892596244 623572981 /nfs/dbraw/zinc/57/29/81/623572981.db2.gz ODJAEFKWABJVER-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)CCO1 ZINC000892596244 623572991 /nfs/dbraw/zinc/57/29/91/623572991.db2.gz ODJAEFKWABJVER-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP O=C(c1cccc2[nH+]ccn21)N1CC[C@H]([NH2+]CCO)C1 ZINC001019139468 623800435 /nfs/dbraw/zinc/80/04/35/623800435.db2.gz CNWIAEBGXQSOFW-NSHDSACASA-N 2 2 274.324 0.131 20 0 CCADLP Cn1cnnc1N1CC[NH+]([C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925714684 625718881 /nfs/dbraw/zinc/71/88/81/625718881.db2.gz UTDTZLZSLZLBAG-NWDGAFQWSA-N 2 2 276.388 0.207 20 0 CCADLP Cc1ncoc1C[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001020637156 624556712 /nfs/dbraw/zinc/55/67/12/624556712.db2.gz ONWQVJSKNHFQDG-XYPYZODXSA-N 2 2 289.339 0.686 20 0 CCADLP C[C@@H]([NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1)[C@@H]1CCCC[NH2+]1 ZINC000902503887 634393932 /nfs/dbraw/zinc/39/39/32/634393932.db2.gz YOWQEDHTYDUHMB-AGIUHOORSA-N 2 2 291.399 0.881 20 0 CCADLP CN1CC[N@H+](C)[C@H](CNC(=O)CCCCCC[NH3+])C1 ZINC000068807415 624688379 /nfs/dbraw/zinc/68/83/79/624688379.db2.gz KKXAXRGDJCOLFO-CYBMUJFWSA-N 2 2 270.421 0.258 20 0 CCADLP CN1CC[N@@H+](C)[C@H](CNC(=O)CCCCCC[NH3+])C1 ZINC000068807415 624688390 /nfs/dbraw/zinc/68/83/90/624688390.db2.gz KKXAXRGDJCOLFO-CYBMUJFWSA-N 2 2 270.421 0.258 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)CCF)C2)O1 ZINC000971782554 624907000 /nfs/dbraw/zinc/90/70/00/624907000.db2.gz XKHYGYGVMJDUQE-JHJVBQTASA-N 2 2 287.379 0.208 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)CCF)C2)O1 ZINC000971782554 624907012 /nfs/dbraw/zinc/90/70/12/624907012.db2.gz XKHYGYGVMJDUQE-JHJVBQTASA-N 2 2 287.379 0.208 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@H+](C)CCF)C2)O1 ZINC000971782554 624907019 /nfs/dbraw/zinc/90/70/19/624907019.db2.gz XKHYGYGVMJDUQE-JHJVBQTASA-N 2 2 287.379 0.208 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CCF)C2)O1 ZINC000971782554 624907027 /nfs/dbraw/zinc/90/70/27/624907027.db2.gz XKHYGYGVMJDUQE-JHJVBQTASA-N 2 2 287.379 0.208 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001022302218 624917817 /nfs/dbraw/zinc/91/78/17/624917817.db2.gz GEKPWWFYYPNLQH-LPWJVIDDSA-N 2 2 292.383 0.063 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccon2)C1 ZINC001022436177 624992342 /nfs/dbraw/zinc/99/23/42/624992342.db2.gz HFZDKURUZMIDMI-BETUJISGSA-N 2 2 289.339 0.617 20 0 CCADLP OC[C@@H]1CC[N@@H+]1C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000934011040 625002157 /nfs/dbraw/zinc/00/21/57/625002157.db2.gz IOTURQUNMYPNNZ-HOTGVXAUSA-N 2 2 276.380 0.690 20 0 CCADLP OC[C@@H]1CC[N@H+]1C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000934011040 625002158 /nfs/dbraw/zinc/00/21/58/625002158.db2.gz IOTURQUNMYPNNZ-HOTGVXAUSA-N 2 2 276.380 0.690 20 0 CCADLP OC[C@@H]1CC[NH+]1C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000934011040 625002159 /nfs/dbraw/zinc/00/21/59/625002159.db2.gz IOTURQUNMYPNNZ-HOTGVXAUSA-N 2 2 276.380 0.690 20 0 CCADLP OC[C@@H]1CC[NH+]1C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000934011040 625002160 /nfs/dbraw/zinc/00/21/60/625002160.db2.gz IOTURQUNMYPNNZ-HOTGVXAUSA-N 2 2 276.380 0.690 20 0 CCADLP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001022494536 625009013 /nfs/dbraw/zinc/00/90/13/625009013.db2.gz NRRREUVMSOQVEV-ZNMIVQPWSA-N 2 2 295.427 0.744 20 0 CCADLP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001022494536 625009014 /nfs/dbraw/zinc/00/90/14/625009014.db2.gz NRRREUVMSOQVEV-ZNMIVQPWSA-N 2 2 295.427 0.744 20 0 CCADLP Cn1cnnc1N1CC[NH+]([C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925714686 625720893 /nfs/dbraw/zinc/72/08/93/625720893.db2.gz UTDTZLZSLZLBAG-VXGBXAGGSA-N 2 2 276.388 0.207 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](C[NH2+]C[C@@H]2CCOC2)C1 ZINC001027139960 625742109 /nfs/dbraw/zinc/74/21/09/625742109.db2.gz VDXYIXFZKZWYIQ-OLZOCXBDSA-N 2 2 292.383 0.427 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](C[NH2+]C[C@@H]2CCOC2)C1 ZINC001027139962 625743223 /nfs/dbraw/zinc/74/32/23/625743223.db2.gz VDXYIXFZKZWYIQ-STQMWFEESA-N 2 2 292.383 0.427 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](C[NH2+]CC2CC2)C1 ZINC001027140482 625743430 /nfs/dbraw/zinc/74/34/30/625743430.db2.gz GUMPVZCTNWYIJQ-LBPRGKRZSA-N 2 2 262.357 0.800 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H](C[NH2+]Cc2ccon2)C1 ZINC001027245740 625766350 /nfs/dbraw/zinc/76/63/50/625766350.db2.gz CRCYFGKZYSODTN-LBPRGKRZSA-N 2 2 289.339 0.509 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@](C)(C(N)=O)c1ccccc1 ZINC000903459666 634565793 /nfs/dbraw/zinc/56/57/93/634565793.db2.gz WNIFXQHSCWCRMB-TYNCELHUSA-N 2 2 261.369 0.832 20 0 CCADLP Cc1nc(CN2CC[NH+](C[C@@H]3C[NH2+]C[C@H]3C)CC2)no1 ZINC000903444700 634569018 /nfs/dbraw/zinc/56/90/18/634569018.db2.gz VAVRFSYWDIYFHB-YPMHNXCESA-N 2 2 279.388 0.351 20 0 CCADLP O=C(CN1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1)NC1CC1 ZINC000903732806 634632792 /nfs/dbraw/zinc/63/27/92/634632792.db2.gz IAWUUWZGYTZLMD-CQSZACIVSA-N 2 2 294.443 0.272 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000903751248 634636422 /nfs/dbraw/zinc/63/64/22/634636422.db2.gz HHBFSTRSFMFBAK-BZUAXINKSA-N 3 2 281.444 0.907 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000903751248 634636426 /nfs/dbraw/zinc/63/64/26/634636426.db2.gz HHBFSTRSFMFBAK-BZUAXINKSA-N 3 2 281.444 0.907 20 0 CCADLP [NH3+]C[C@]12CC[C@H]1CCC[N@@H+]2C[C@H](O)COC1CCOCC1 ZINC000903805134 634657574 /nfs/dbraw/zinc/65/75/74/634657574.db2.gz MFMGEHCHAJWPPS-IJEWVQPXSA-N 2 2 298.427 0.746 20 0 CCADLP [NH3+]C[C@]12CC[C@H]1CCC[N@H+]2C[C@H](O)COC1CCOCC1 ZINC000903805134 634657580 /nfs/dbraw/zinc/65/75/80/634657580.db2.gz MFMGEHCHAJWPPS-IJEWVQPXSA-N 2 2 298.427 0.746 20 0 CCADLP [NH3+][C@H](CC(F)F)C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000903900045 634680210 /nfs/dbraw/zinc/68/02/10/634680210.db2.gz YPGFOWBHGMCTCM-LLVKDONJSA-N 2 2 273.331 0.973 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cnn1C ZINC000903929258 634689356 /nfs/dbraw/zinc/68/93/56/634689356.db2.gz CUQHLQLUCUVBBZ-JGGQBBKZSA-N 3 2 293.459 0.763 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cnn1C ZINC000903929258 634689361 /nfs/dbraw/zinc/68/93/61/634689361.db2.gz CUQHLQLUCUVBBZ-JGGQBBKZSA-N 3 2 293.459 0.763 20 0 CCADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]Cc2cccc3c2CC[NH2+]C3)n1 ZINC000903935634 634693939 /nfs/dbraw/zinc/69/39/39/634693939.db2.gz RIZBYDRGRLOWAI-UHFFFAOYSA-N 3 2 299.378 0.576 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000905004422 634776407 /nfs/dbraw/zinc/77/64/07/634776407.db2.gz KBKSBGUPDQYQBU-JHJVBQTASA-N 2 2 279.388 0.898 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)C1(O)CCOCC1 ZINC000905044533 634783870 /nfs/dbraw/zinc/78/38/70/634783870.db2.gz DOORZZAIGPMAFJ-MGPQQGTHSA-N 2 2 284.400 0.105 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)C1(O)CCOCC1 ZINC000905044533 634783874 /nfs/dbraw/zinc/78/38/74/634783874.db2.gz DOORZZAIGPMAFJ-MGPQQGTHSA-N 2 2 284.400 0.105 20 0 CCADLP O[C@H](C[NH2+][C@H]1CCn2cc[nH+]c2C1)C1(O)CCC1 ZINC000905220301 634824718 /nfs/dbraw/zinc/82/47/18/634824718.db2.gz WPYKHTFWJUUFQV-WDEREUQCSA-N 2 2 251.330 0.063 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1(O)CCC1 ZINC000905263311 634830331 /nfs/dbraw/zinc/83/03/31/634830331.db2.gz MPOSVBSEICEFTR-BXKDBHETSA-N 2 2 251.330 0.133 20 0 CCADLP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)[C@@H]1CCCC[NH2+]1 ZINC000925816090 631302387 /nfs/dbraw/zinc/30/23/87/631302387.db2.gz DNYROYNIAXTSQY-OCCSQVGLSA-N 3 2 254.422 0.530 20 0 CCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cnon3)C2)CC[N@@H+]1C ZINC000968728807 650027238 /nfs/dbraw/zinc/02/72/38/650027238.db2.gz YNBIQICVXCUFHB-NQBHXWOUSA-N 2 2 293.371 0.100 20 0 CCADLP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cnon3)C2)CC[N@H+]1C ZINC000968728807 650027240 /nfs/dbraw/zinc/02/72/40/650027240.db2.gz YNBIQICVXCUFHB-NQBHXWOUSA-N 2 2 293.371 0.100 20 0 CCADLP C[C@@H]1[C@H](NC(=O)CCCn2cc[nH+]c2)CC[N@@H+]1C ZINC000928440725 631846785 /nfs/dbraw/zinc/84/67/85/631846785.db2.gz CFMJTYMIQXEQQD-VXGBXAGGSA-N 2 2 250.346 0.872 20 0 CCADLP C[C@@H]1[C@H](NC(=O)CCCn2cc[nH+]c2)CC[N@H+]1C ZINC000928440725 631846789 /nfs/dbraw/zinc/84/67/89/631846789.db2.gz CFMJTYMIQXEQQD-VXGBXAGGSA-N 2 2 250.346 0.872 20 0 CCADLP Cc1cc(N)nc(N(C)CC[NH+]2CC3(C2)CCOCC3)[nH+]1 ZINC000895035500 631896116 /nfs/dbraw/zinc/89/61/16/631896116.db2.gz MEFGRPAQQZXHOF-UHFFFAOYSA-N 2 2 291.399 0.916 20 0 CCADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC000909436838 631923820 /nfs/dbraw/zinc/92/38/20/631923820.db2.gz VNNJPPWCUSDQIL-OLZOCXBDSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC000909436838 631923827 /nfs/dbraw/zinc/92/38/27/631923827.db2.gz VNNJPPWCUSDQIL-OLZOCXBDSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000909436838 631923837 /nfs/dbraw/zinc/92/38/37/631923837.db2.gz VNNJPPWCUSDQIL-OLZOCXBDSA-N 2 2 283.416 0.384 20 0 CCADLP Cc1nc(NC[C@H]2CC[NH+]2C)nc(NC[C@@H]2CC[N@H+]2C)n1 ZINC000895770804 632151819 /nfs/dbraw/zinc/15/18/19/632151819.db2.gz RLYORAJJMDMWNH-TXEJJXNPSA-N 2 2 291.403 0.412 20 0 CCADLP Cc1nc(NC[C@H]2CC[NH+]2C)nc(NC[C@@H]2CC[N@@H+]2C)n1 ZINC000895770804 632151828 /nfs/dbraw/zinc/15/18/28/632151828.db2.gz RLYORAJJMDMWNH-TXEJJXNPSA-N 2 2 291.403 0.412 20 0 CCADLP C[C@@H](CC(=O)NC[C@H](C)[NH+]1CCOCC1)C1CC[NH2+]CC1 ZINC000237463344 632423666 /nfs/dbraw/zinc/42/36/66/632423666.db2.gz QVUDOQHLTFDWSR-KBPBESRZSA-N 2 2 297.443 0.849 20 0 CCADLP C[N@H+](CCO)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000985466250 632494004 /nfs/dbraw/zinc/49/40/04/632494004.db2.gz IBVAKPZTSXANRD-UHFFFAOYSA-N 2 2 280.372 0.257 20 0 CCADLP C[N@@H+](CCO)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000985466250 632494013 /nfs/dbraw/zinc/49/40/13/632494013.db2.gz IBVAKPZTSXANRD-UHFFFAOYSA-N 2 2 280.372 0.257 20 0 CCADLP C[N@H+](CCO)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000985466250 632494016 /nfs/dbraw/zinc/49/40/16/632494016.db2.gz IBVAKPZTSXANRD-UHFFFAOYSA-N 2 2 280.372 0.257 20 0 CCADLP C[N@@H+](CCO)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000985466250 632494018 /nfs/dbraw/zinc/49/40/18/632494018.db2.gz IBVAKPZTSXANRD-UHFFFAOYSA-N 2 2 280.372 0.257 20 0 CCADLP C[C@@H]1[C@@H]([NH2+]CCO)CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000986429066 632755211 /nfs/dbraw/zinc/75/52/11/632755211.db2.gz XMWWLYDDECZYDC-PWSUYJOCSA-N 2 2 288.351 0.748 20 0 CCADLP CCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000987609584 632885455 /nfs/dbraw/zinc/88/54/55/632885455.db2.gz KOTCKHFOLVOWCE-NWDGAFQWSA-N 2 2 250.346 0.872 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2CC[NH+]2C(C)(C)C)CC[N@@H+]1CCO ZINC000897454860 633000193 /nfs/dbraw/zinc/00/01/93/633000193.db2.gz HMPXTQUQXPVDSZ-STQMWFEESA-N 2 2 283.416 0.384 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2CC[NH+]2C(C)(C)C)CC[N@H+]1CCO ZINC000897454860 633000199 /nfs/dbraw/zinc/00/01/99/633000199.db2.gz HMPXTQUQXPVDSZ-STQMWFEESA-N 2 2 283.416 0.384 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)CC[NH+]1CCO ZINC000897454860 633000206 /nfs/dbraw/zinc/00/02/06/633000206.db2.gz HMPXTQUQXPVDSZ-STQMWFEESA-N 2 2 283.416 0.384 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)CC[NH+]1CCO ZINC000897454860 633000210 /nfs/dbraw/zinc/00/02/10/633000210.db2.gz HMPXTQUQXPVDSZ-STQMWFEESA-N 2 2 283.416 0.384 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CC2CC2)CN1C(=O)Cn1cc[nH+]c1 ZINC000989853881 633364731 /nfs/dbraw/zinc/36/47/31/633364731.db2.gz OCMBOMGHHHMSQN-YPMHNXCESA-N 2 2 262.357 0.872 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCC[N@@H+]2CC[C@@H](O)C2)c[nH+]1 ZINC000899146393 633741853 /nfs/dbraw/zinc/74/18/53/633741853.db2.gz YNMFZCWAIQVRNR-GFCCVEGCSA-N 2 2 280.372 0.109 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCC[N@H+]2CC[C@@H](O)C2)c[nH+]1 ZINC000899146393 633741855 /nfs/dbraw/zinc/74/18/55/633741855.db2.gz YNMFZCWAIQVRNR-GFCCVEGCSA-N 2 2 280.372 0.109 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000899241947 633766074 /nfs/dbraw/zinc/76/60/74/633766074.db2.gz QYRCXQDGGIQTFA-JHJVBQTASA-N 2 2 279.388 0.898 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000899242048 633766715 /nfs/dbraw/zinc/76/67/15/633766715.db2.gz QYRCXQDGGIQTFA-UPJWGTAASA-N 2 2 279.388 0.898 20 0 CCADLP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)C2(O)CCC2)C[C@H](C)O1 ZINC000899864355 633911440 /nfs/dbraw/zinc/91/14/40/633911440.db2.gz ICFHGOYEMKESMQ-HZSPNIEDSA-N 2 2 286.416 0.351 20 0 CCADLP C[C@@H]1C[N@H+](CCC[NH2+]C[C@@H](O)C2(O)CCC2)C[C@H](C)O1 ZINC000899864355 633911443 /nfs/dbraw/zinc/91/14/43/633911443.db2.gz ICFHGOYEMKESMQ-HZSPNIEDSA-N 2 2 286.416 0.351 20 0 CCADLP O=C(CNc1cccc[nH+]1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000900371696 633998903 /nfs/dbraw/zinc/99/89/03/633998903.db2.gz GIQASETXNPKHNI-NSHDSACASA-N 2 2 260.341 0.846 20 0 CCADLP O=C(CNc1cccc[nH+]1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000900371696 633998905 /nfs/dbraw/zinc/99/89/05/633998905.db2.gz GIQASETXNPKHNI-NSHDSACASA-N 2 2 260.341 0.846 20 0 CCADLP O=C(CNc1cccc[nH+]1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000900441731 634020815 /nfs/dbraw/zinc/02/08/15/634020815.db2.gz NGBRQMMFXJAFJC-STQMWFEESA-N 2 2 290.367 0.473 20 0 CCADLP O=C(CNc1cccc[nH+]1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000900441731 634020817 /nfs/dbraw/zinc/02/08/17/634020817.db2.gz NGBRQMMFXJAFJC-STQMWFEESA-N 2 2 290.367 0.473 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000900599397 634051813 /nfs/dbraw/zinc/05/18/13/634051813.db2.gz CIRLBIBJJKDDGB-STQMWFEESA-N 2 2 278.356 0.010 20 0 CCADLP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC001009516129 650147231 /nfs/dbraw/zinc/14/72/31/650147231.db2.gz MUBATOGTDVXNNL-GFCCVEGCSA-N 2 2 257.353 0.632 20 0 CCADLP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[N@H+](CCF)C1 ZINC001009516129 650147233 /nfs/dbraw/zinc/14/72/33/650147233.db2.gz MUBATOGTDVXNNL-GFCCVEGCSA-N 2 2 257.353 0.632 20 0 CCADLP CC[N@@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001009348334 650143082 /nfs/dbraw/zinc/14/30/82/650143082.db2.gz WKIDLMUTEFGBCN-LLVKDONJSA-N 2 2 250.346 0.861 20 0 CCADLP CC[N@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001009348334 650143083 /nfs/dbraw/zinc/14/30/83/650143083.db2.gz WKIDLMUTEFGBCN-LLVKDONJSA-N 2 2 250.346 0.861 20 0 CCADLP CC(C)=CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001010425673 650223437 /nfs/dbraw/zinc/22/34/37/650223437.db2.gz FECTUIVUMDBVCO-UONOGXRCSA-N 2 2 281.400 0.474 20 0 CCADLP CC(C)=CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001010425673 650223444 /nfs/dbraw/zinc/22/34/44/650223444.db2.gz FECTUIVUMDBVCO-UONOGXRCSA-N 2 2 281.400 0.474 20 0 CCADLP CC(C)=CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001010425673 650223450 /nfs/dbraw/zinc/22/34/50/650223450.db2.gz FECTUIVUMDBVCO-UONOGXRCSA-N 2 2 281.400 0.474 20 0 CCADLP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001010425673 650223452 /nfs/dbraw/zinc/22/34/52/650223452.db2.gz FECTUIVUMDBVCO-UONOGXRCSA-N 2 2 281.400 0.474 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H](C)[NH2+]1 ZINC000911799444 636392602 /nfs/dbraw/zinc/39/26/02/636392602.db2.gz YEBCOMFRKDLSKE-WRWGMCAJSA-N 2 2 262.357 0.732 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(C[NH3+])CCCC1 ZINC000911799864 636392663 /nfs/dbraw/zinc/39/26/63/636392663.db2.gz JKQRECDZNKDKKL-GHMZBOCLSA-N 2 2 262.357 0.911 20 0 CCADLP C[C@@H]1C[NH+](CCC[NH2+]C[C@@H](O)C2CC2)C[C@@H](C)O1 ZINC000840743974 637108041 /nfs/dbraw/zinc/10/80/41/637108041.db2.gz PKPAJZOQNOEYLW-YRGRVCCFSA-N 2 2 256.390 0.846 20 0 CCADLP C[C@H]([NH3+])[C@@H]1C[N@H+](C[C@@H](O)CC2CCCC2)CCO1 ZINC000232148795 637245715 /nfs/dbraw/zinc/24/57/15/637245715.db2.gz FNKNVUPGVOUEGC-UBHSHLNASA-N 2 2 256.390 0.976 20 0 CCADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](C[C@@H](O)CC2CCCC2)CCO1 ZINC000232148795 637245726 /nfs/dbraw/zinc/24/57/26/637245726.db2.gz FNKNVUPGVOUEGC-UBHSHLNASA-N 2 2 256.390 0.976 20 0 CCADLP CCOC(=O)CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000311232517 637289433 /nfs/dbraw/zinc/28/94/33/637289433.db2.gz ROPRJHPIKYJENF-GFCCVEGCSA-N 2 2 258.362 0.328 20 0 CCADLP CCOC(=O)CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000311232517 637289439 /nfs/dbraw/zinc/28/94/39/637289439.db2.gz ROPRJHPIKYJENF-GFCCVEGCSA-N 2 2 258.362 0.328 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@]12CCC[C@H]1[N@H+](CCO)CC2 ZINC000992396656 637381167 /nfs/dbraw/zinc/38/11/67/637381167.db2.gz NAICZDYQWQLUKE-UKRRQHHQSA-N 2 2 292.383 0.068 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@]12CCC[C@H]1[N@@H+](CCO)CC2 ZINC000992396656 637381172 /nfs/dbraw/zinc/38/11/72/637381172.db2.gz 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ZINC000864611460 645247845 /nfs/dbraw/zinc/24/78/45/645247845.db2.gz GQYQJWMBGMTNGB-ARJAWSKDSA-N 2 2 267.373 0.087 20 0 CCADLP C[C@H](O)c1cn(CC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000864646060 645258856 /nfs/dbraw/zinc/25/88/56/645258856.db2.gz RVTUFMXXWYVSGF-NSHDSACASA-N 2 2 255.366 0.215 20 0 CCADLP C[C@H](O)c1cn(CC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000864646060 645258861 /nfs/dbraw/zinc/25/88/61/645258861.db2.gz RVTUFMXXWYVSGF-NSHDSACASA-N 2 2 255.366 0.215 20 0 CCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864859981 645295077 /nfs/dbraw/zinc/29/50/77/645295077.db2.gz FLLRBQDKSLDDEH-YVACAVLKSA-N 2 2 295.427 0.865 20 0 CCADLP O=C([C@H](O)c1c[nH+]c[nH]1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000865141856 645329332 /nfs/dbraw/zinc/32/93/32/645329332.db2.gz XIJHQOHNFDSJBE-TZMCWYRMSA-N 2 2 292.383 0.920 20 0 CCADLP [NH3+][C@H]1C[C@@H](CNC(=O)NCCCn2cc[nH+]c2)C1 ZINC000865343063 645356184 /nfs/dbraw/zinc/35/61/84/645356184.db2.gz HFJUKLFIHXTTND-PHIMTYICSA-N 2 2 251.334 0.310 20 0 CCADLP Cn1ncc2cc(C[NH2+]C[C@H](O)C[NH+]3CCCC3)cnc21 ZINC000865426634 645367365 /nfs/dbraw/zinc/36/73/65/645367365.db2.gz CPOLZGYLQXDVMX-AWEZNQCLSA-N 2 2 289.383 0.515 20 0 CCADLP OCc1cc(N2CC[NH+](CCc3cnccn3)CC2)cc[nH+]1 ZINC000866119542 645489429 /nfs/dbraw/zinc/48/94/29/645489429.db2.gz IGUAZSHGKGEPJK-UHFFFAOYSA-N 2 2 299.378 0.729 20 0 CCADLP O=S(=O)([C@H]1CCC[NH2+]C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000923623345 646025578 /nfs/dbraw/zinc/02/55/78/646025578.db2.gz AFGBGXBPZUYESY-NEPJUHHUSA-N 2 2 298.412 0.671 20 0 CCADLP C[C@H](CNC(=O)CC[NH2+]CC1CC1)[NH+]1CCN(C)CC1 ZINC000870889376 646037351 /nfs/dbraw/zinc/03/73/51/646037351.db2.gz IMXORXMZEKXHIY-CYBMUJFWSA-N 2 2 282.432 0.128 20 0 CCADLP [NH3+][C@H]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000870895787 646041231 /nfs/dbraw/zinc/04/12/31/646041231.db2.gz BYDFWXMSSYOIEN-RBSFLKMASA-N 2 2 295.427 0.827 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000870909052 646043059 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C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cnc(N)cn1 ZINC000873209930 646358288 /nfs/dbraw/zinc/35/82/88/646358288.db2.gz WDAQRCHUXDNRFI-RDBSUJKOSA-N 2 2 291.399 0.742 20 0 CCADLP O=C(/C=C/[C@H]1CCC[NH2+]C1)NCCCn1cc[nH+]c1 ZINC000876707413 646647211 /nfs/dbraw/zinc/64/72/11/646647211.db2.gz FRLMNSKMGUYXGN-MUBLQREKSA-N 2 2 262.357 0.945 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876731820 646653373 /nfs/dbraw/zinc/65/33/73/646653373.db2.gz UNWYAGNMXUAEDX-MXWKQRLJSA-N 2 2 250.346 0.761 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)/C=C/[C@@H]2CCC[NH2+]C2)CCO1 ZINC000876745695 646655448 /nfs/dbraw/zinc/65/54/48/646655448.db2.gz GBWNTQVRKJQWBZ-WEHDMVHDSA-N 2 2 281.400 0.379 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)/C=C/[C@@H]2CCC[NH2+]C2)CCO1 ZINC000876745695 646655454 /nfs/dbraw/zinc/65/54/54/646655454.db2.gz GBWNTQVRKJQWBZ-WEHDMVHDSA-N 2 2 281.400 0.379 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)/C=C/C[NH+]2CCOCC2)CC[NH2+]1 ZINC000876835661 646678021 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O=C(/C=C\C[NH+]1CCOCC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000877006245 646715451 /nfs/dbraw/zinc/71/54/51/646715451.db2.gz YVMNYVFZZAVKGK-MTMQSLQUSA-N 2 2 279.384 0.276 20 0 CCADLP C[C@]12C[NH2+]C[C@H]1CN(C(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC000877372449 646804044 /nfs/dbraw/zinc/80/40/44/646804044.db2.gz HWMITSRKBJAUBW-BLLLJJGKSA-N 2 2 288.395 0.830 20 0 CCADLP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000877665498 646833609 /nfs/dbraw/zinc/83/36/09/646833609.db2.gz XOSDFQVKZFEBEY-IHRRRGAJSA-N 2 2 297.443 0.869 20 0 CCADLP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000877665498 646833613 /nfs/dbraw/zinc/83/36/13/646833613.db2.gz XOSDFQVKZFEBEY-IHRRRGAJSA-N 2 2 297.443 0.869 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C[C@H]1F ZINC000878383383 646901107 /nfs/dbraw/zinc/90/11/07/646901107.db2.gz OXDXBQVDWKUIBE-WCQYABFASA-N 2 2 271.380 0.877 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C[C@H]1F ZINC000878383383 646901111 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C[C@@H]1C[N@@H+]([C@@H]2CC(=O)N(C)C2=O)CCN1c1cc[nH+]cc1 ZINC000887300907 648088922 /nfs/dbraw/zinc/08/89/22/648088922.db2.gz HBZIMHPEEWCSNU-DGCLKSJQSA-N 2 2 288.351 0.349 20 0 CCADLP C[C@@H]1C[N@H+]([C@@H]2CC(=O)N(C)C2=O)CCN1c1cc[nH+]cc1 ZINC000887300907 648088932 /nfs/dbraw/zinc/08/89/32/648088932.db2.gz HBZIMHPEEWCSNU-DGCLKSJQSA-N 2 2 288.351 0.349 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)c2ncnn21 ZINC000924944730 648390649 /nfs/dbraw/zinc/39/06/49/648390649.db2.gz CKHIKIXIEWCPCP-VXGBXAGGSA-N 2 2 292.387 0.038 20 0 CCADLP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C12CCC2 ZINC000925614272 648446760 /nfs/dbraw/zinc/44/67/60/648446760.db2.gz WEBDSWHJGRFVLC-JHJVBQTASA-N 3 2 253.390 0.303 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[N@@H+]1C ZINC000928431860 648630408 /nfs/dbraw/zinc/63/04/08/648630408.db2.gz HGQHDIHYOLJZHW-UTUOFQBUSA-N 2 2 262.357 0.654 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[N@H+]1C ZINC000928431860 648630410 /nfs/dbraw/zinc/63/04/10/648630410.db2.gz HGQHDIHYOLJZHW-UTUOFQBUSA-N 2 2 262.357 0.654 20 0 CCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H](O)C[C@@]1(O)CCOC1 ZINC000931719918 649021484 /nfs/dbraw/zinc/02/14/84/649021484.db2.gz PGYSOKZYVBIODR-YJNKXOJESA-N 2 2 284.400 0.057 20 0 CCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H](O)C[C@@]1(O)CCOC1 ZINC000931719918 649021486 /nfs/dbraw/zinc/02/14/86/649021486.db2.gz PGYSOKZYVBIODR-YJNKXOJESA-N 2 2 284.400 0.057 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@H](O)C[C@@]1(O)CCOC1 ZINC000931719918 649021489 /nfs/dbraw/zinc/02/14/89/649021489.db2.gz PGYSOKZYVBIODR-YJNKXOJESA-N 2 2 284.400 0.057 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@H](O)C[C@@]1(O)CCOC1 ZINC000931719918 649021491 /nfs/dbraw/zinc/02/14/91/649021491.db2.gz PGYSOKZYVBIODR-YJNKXOJESA-N 2 2 284.400 0.057 20 0 CCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000931720586 649022380 /nfs/dbraw/zinc/02/23/80/649022380.db2.gz ZLNRSDZVUOCHJZ-RMEBNNNOSA-N 2 2 266.385 0.959 20 0 CCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000931720586 649022383 /nfs/dbraw/zinc/02/23/83/649022383.db2.gz ZLNRSDZVUOCHJZ-RMEBNNNOSA-N 2 2 266.385 0.959 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000931720586 649022387 /nfs/dbraw/zinc/02/23/87/649022387.db2.gz ZLNRSDZVUOCHJZ-RMEBNNNOSA-N 2 2 266.385 0.959 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000931720586 649022391 /nfs/dbraw/zinc/02/23/91/649022391.db2.gz ZLNRSDZVUOCHJZ-RMEBNNNOSA-N 2 2 266.385 0.959 20 0 CCADLP C[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CCCO ZINC000947931046 649355992 /nfs/dbraw/zinc/35/59/92/649355992.db2.gz YYLWYCIJYZSXJW-QWHCGFSZSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1CCCO ZINC000947931046 649355994 /nfs/dbraw/zinc/35/59/94/649355994.db2.gz YYLWYCIJYZSXJW-QWHCGFSZSA-N 2 2 294.399 0.314 20 0 CCADLP O=C(C1CC[NH+](CC2CC2)CC1)N1CC[NH+](CCO)CC1 ZINC000957279163 649742619 /nfs/dbraw/zinc/74/26/19/649742619.db2.gz HCXYYJDPRGZQAH-UHFFFAOYSA-N 2 2 295.427 0.245 20 0 CCADLP C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1cc(N)[nH+]cn1 ZINC001164926776 721876464 /nfs/dbraw/zinc/87/64/64/721876464.db2.gz SJQKJELFBQFBHJ-NEPJUHHUSA-N 2 2 276.388 0.273 20 0 CCADLP COCC[N@H+](C[C@H](C)C(=O)OC)C1CC[NH+](C)CC1 ZINC001208717109 790450632 /nfs/dbraw/zinc/45/06/32/790450632.db2.gz DWFHQVZNHSZAON-LBPRGKRZSA-N 2 2 272.389 0.838 20 0 CCADLP COCC[N@@H+](C[C@H](C)C(=O)OC)C1CC[NH+](C)CC1 ZINC001208717109 790450637 /nfs/dbraw/zinc/45/06/37/790450637.db2.gz DWFHQVZNHSZAON-LBPRGKRZSA-N 2 2 272.389 0.838 20 0 CCADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001266353333 790572690 /nfs/dbraw/zinc/57/26/90/790572690.db2.gz UEJRWCIZYOIYPW-ZDUSSCGKSA-N 2 2 294.399 0.580 20 0 CCADLP CCOCCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001266353333 790572699 /nfs/dbraw/zinc/57/26/99/790572699.db2.gz UEJRWCIZYOIYPW-ZDUSSCGKSA-N 2 2 294.399 0.580 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]CC[C@@H]1CCOC1 ZINC001167347067 790936343 /nfs/dbraw/zinc/93/63/43/790936343.db2.gz XYBTYXJPBQGVAO-GFCCVEGCSA-N 2 2 280.372 0.475 20 0 CCADLP COCCC[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167346604 790934714 /nfs/dbraw/zinc/93/47/14/790934714.db2.gz QCMMJYPZMYRQIR-UHFFFAOYSA-N 2 2 254.334 0.085 20 0 CCADLP C[NH+](C)Cc1cccc(-n2cnc(C[NH3+])cc2=N)n1 ZINC001167354698 790955458 /nfs/dbraw/zinc/95/54/58/790955458.db2.gz CEIRHVMVWTYQMC-UHFFFAOYSA-N 2 2 258.329 0.267 20 0 CCADLP CC(C)OCC[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001266622446 791045717 /nfs/dbraw/zinc/04/57/17/791045717.db2.gz DULRTWDJANWEGV-HAQNSBGRSA-N 2 2 280.372 0.614 20 0 CCADLP CC[N@H+](C)C1CC[NH+](Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC001231770951 805851539 /nfs/dbraw/zinc/85/15/39/805851539.db2.gz BFIYQUYLQFKFCI-UHFFFAOYSA-N 2 2 294.399 0.000 20 0 CCADLP CC[N@@H+](C)C1CC[NH+](Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC001231770951 805851549 /nfs/dbraw/zinc/85/15/49/805851549.db2.gz BFIYQUYLQFKFCI-UHFFFAOYSA-N 2 2 294.399 0.000 20 0 CCADLP Cc1[nH+]c(N)ccc1CN1CCOC[C@@H]1C[NH+](C)C ZINC001232342250 805925201 /nfs/dbraw/zinc/92/52/01/805925201.db2.gz KTOZHTMPFLDPOD-ZDUSSCGKSA-N 2 2 264.373 0.735 20 0 CCADLP C[C@H]1CC[C@@H](C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)C[NH2+]1 ZINC001245974445 807104051 /nfs/dbraw/zinc/10/40/51/807104051.db2.gz MQTSXSSIISYKLW-AVGNSLFASA-N 3 2 257.422 0.713 20 0 CCADLP Cc1conc1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000721949016 806015245 /nfs/dbraw/zinc/01/52/45/806015245.db2.gz QZUSWFHNNULEIP-UHFFFAOYSA-N 2 2 252.318 0.136 20 0 CCADLP CC(C)[NH2+][C@@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001266949410 791384087 /nfs/dbraw/zinc/38/40/87/791384087.db2.gz OKQJEKPFLRKLBE-RYUDHWBXSA-N 2 2 264.373 0.948 20 0 CCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[C@H](C[NH2+]CCF)C1 ZINC001267047538 791478843 /nfs/dbraw/zinc/47/88/43/791478843.db2.gz MBTMYYQSTUQESD-OLZOCXBDSA-N 2 2 294.374 0.853 20 0 CCADLP CC(C)[N@H+]1C[C@H]2CN(CCn3cc[nH+]c3)C[C@@H](C1)O2 ZINC001277799582 806105296 /nfs/dbraw/zinc/10/52/96/806105296.db2.gz ZEUPMWZSSMIPOX-OKILXGFUSA-N 2 2 264.373 0.677 20 0 CCADLP CC(C)[N@@H+]1C[C@H]2CN(CCn3cc[nH+]c3)C[C@@H](C1)O2 ZINC001277799582 806105305 /nfs/dbraw/zinc/10/53/05/806105305.db2.gz ZEUPMWZSSMIPOX-OKILXGFUSA-N 2 2 264.373 0.677 20 0 CCADLP C[NH+](C)CCN1CC2(C1)C[NH+](CC(=O)C(C)(C)C)C2 ZINC001277847885 806226822 /nfs/dbraw/zinc/22/68/22/806226822.db2.gz JMBVIVYYOKYEDJ-UHFFFAOYSA-N 2 2 267.417 0.781 20 0 CCADLP C(c1n[nH]c2c1CCC2)N1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234986109 806330333 /nfs/dbraw/zinc/33/03/33/806330333.db2.gz AHTDIGJSDKUNIF-CQSZACIVSA-N 2 2 261.373 0.036 20 0 CCADLP Cn1nc2ccccc2c1C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235051333 806353128 /nfs/dbraw/zinc/35/31/28/806353128.db2.gz IZSMFMOMQTVTJF-INIZCTEOSA-N 2 2 285.395 0.711 20 0 CCADLP Cn1nc2ccccc2c1C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235051333 806353139 /nfs/dbraw/zinc/35/31/39/806353139.db2.gz IZSMFMOMQTVTJF-INIZCTEOSA-N 2 2 285.395 0.711 20 0 CCADLP c1cnc2cc(C[N@@H+]3CCN[C@@]4(CC[NH2+]C4)C3)ccc2n1 ZINC001235052140 806354176 /nfs/dbraw/zinc/35/41/76/806354176.db2.gz MRXQGQVVDKSRIL-MRXNPFEDSA-N 2 2 283.379 0.767 20 0 CCADLP c1cnc2cc(C[N@H+]3CCN[C@@]4(CC[NH2+]C4)C3)ccc2n1 ZINC001235052140 806354186 /nfs/dbraw/zinc/35/41/86/806354186.db2.gz MRXQGQVVDKSRIL-MRXNPFEDSA-N 2 2 283.379 0.767 20 0 CCADLP Cn1ncc2ccc(C[N@@H+]3CCN[C@@]4(CC[NH2+]C4)C3)cc21 ZINC001235054628 806357294 /nfs/dbraw/zinc/35/72/94/806357294.db2.gz QDZCKDAIIOAUKF-MRXNPFEDSA-N 2 2 285.395 0.711 20 0 CCADLP Cn1ncc2ccc(C[N@H+]3CCN[C@@]4(CC[NH2+]C4)C3)cc21 ZINC001235054628 806357303 /nfs/dbraw/zinc/35/73/03/806357303.db2.gz QDZCKDAIIOAUKF-MRXNPFEDSA-N 2 2 285.395 0.711 20 0 CCADLP CC(=O)Nc1ccc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235054611 806357585 /nfs/dbraw/zinc/35/75/85/806357585.db2.gz XBYZFQNGLZPPFM-INIZCTEOSA-N 2 2 288.395 0.782 20 0 CCADLP CC(=O)Nc1ccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235054611 806357593 /nfs/dbraw/zinc/35/75/93/806357593.db2.gz XBYZFQNGLZPPFM-INIZCTEOSA-N 2 2 288.395 0.782 20 0 CCADLP FC(F)(F)CCC[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235054693 806357932 /nfs/dbraw/zinc/35/79/32/806357932.db2.gz NZWFTGLTXYJQJI-JTQLQIEISA-N 2 2 251.296 0.966 20 0 CCADLP FC(F)(F)CCC[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235054693 806357942 /nfs/dbraw/zinc/35/79/42/806357942.db2.gz NZWFTGLTXYJQJI-JTQLQIEISA-N 2 2 251.296 0.966 20 0 CCADLP c1cc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c2nccnc2c1 ZINC001235056175 806359970 /nfs/dbraw/zinc/35/99/70/806359970.db2.gz ZKRGLABKSBOUMU-MRXNPFEDSA-N 2 2 283.379 0.767 20 0 CCADLP c1cc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c2nccnc2c1 ZINC001235056175 806359980 /nfs/dbraw/zinc/35/99/80/806359980.db2.gz ZKRGLABKSBOUMU-MRXNPFEDSA-N 2 2 283.379 0.767 20 0 CCADLP c1cc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@H]32)cc(N2CC[NH2+]CC2)c1 ZINC001235262369 806396570 /nfs/dbraw/zinc/39/65/70/806396570.db2.gz QRRCYXSXXQOPAM-NVXWUHKLSA-N 3 2 286.423 0.890 20 0 CCADLP c1cc(C[N@H+]2C[C@H]3C[NH2+]CC[C@H]32)cc(N2CC[NH2+]CC2)c1 ZINC001235262369 806396581 /nfs/dbraw/zinc/39/65/81/806396581.db2.gz QRRCYXSXXQOPAM-NVXWUHKLSA-N 3 2 286.423 0.890 20 0 CCADLP CC(=O)N1CCO[C@@H]2CC[N@@H+](C[C@@H](C)[NH3+])CC[C@H]21 ZINC001235485594 806430129 /nfs/dbraw/zinc/43/01/29/806430129.db2.gz KDSXNSLOUUAJBY-RAIGVLPGSA-N 2 2 255.362 0.045 20 0 CCADLP CC(=O)N1CCO[C@@H]2CC[N@H+](C[C@@H](C)[NH3+])CC[C@H]21 ZINC001235485594 806430139 /nfs/dbraw/zinc/43/01/39/806430139.db2.gz KDSXNSLOUUAJBY-RAIGVLPGSA-N 2 2 255.362 0.045 20 0 CCADLP CCS(=O)(=O)c1ccc(C[NH2+]C2CC[NH2+]CC2)cn1 ZINC001246076942 807144286 /nfs/dbraw/zinc/14/42/86/807144286.db2.gz PVKMUXNQGXGCAL-UHFFFAOYSA-N 2 2 283.397 0.717 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+]1CC[C@H]2O[C@@H](COCC(=O)N(C)C)CC[C@H]21 ZINC001235514341 806441498 /nfs/dbraw/zinc/44/14/98/806441498.db2.gz FZAINOLUDMFDPM-AAVRWANBSA-N 2 2 299.415 0.060 20 0 CCADLP C[C@@H]([NH3+])C[N@H+]1CC[C@H]2O[C@@H](COCC(=O)N(C)C)CC[C@H]21 ZINC001235514341 806441509 /nfs/dbraw/zinc/44/15/09/806441509.db2.gz FZAINOLUDMFDPM-AAVRWANBSA-N 2 2 299.415 0.060 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 ZINC001235540421 806448568 /nfs/dbraw/zinc/44/85/68/806448568.db2.gz DVKJEKCKRRMHEU-ZOWXZIJZSA-N 2 2 295.358 0.895 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 ZINC001235540421 806448570 /nfs/dbraw/zinc/44/85/70/806448570.db2.gz DVKJEKCKRRMHEU-ZOWXZIJZSA-N 2 2 295.358 0.895 20 0 CCADLP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)C[NH+](CCO)CCC2 ZINC001235545408 806451429 /nfs/dbraw/zinc/45/14/29/806451429.db2.gz BWJLEZLJWMZUPY-UHFFFAOYSA-N 2 2 294.399 0.282 20 0 CCADLP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)C[NH+](CCO)CCC2 ZINC001235545408 806451435 /nfs/dbraw/zinc/45/14/35/806451435.db2.gz BWJLEZLJWMZUPY-UHFFFAOYSA-N 2 2 294.399 0.282 20 0 CCADLP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@@H+](CCO)CCC2 ZINC001235545408 806451443 /nfs/dbraw/zinc/45/14/43/806451443.db2.gz BWJLEZLJWMZUPY-UHFFFAOYSA-N 2 2 294.399 0.282 20 0 CCADLP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)C[N@H+](CCO)CCC2 ZINC001235545408 806451450 /nfs/dbraw/zinc/45/14/50/806451450.db2.gz BWJLEZLJWMZUPY-UHFFFAOYSA-N 2 2 294.399 0.282 20 0 CCADLP CCO[C@H]1CC[N@H+](C[C@H](C)[NH3+])[C@H]1Cc1cnn(C)c1 ZINC001235573024 806459221 /nfs/dbraw/zinc/45/92/21/806459221.db2.gz NGWXATDLSVBSSA-UBHSHLNASA-N 2 2 266.389 0.789 20 0 CCADLP CCO[C@H]1CC[N@@H+](C[C@H](C)[NH3+])[C@H]1Cc1cnn(C)c1 ZINC001235573024 806459227 /nfs/dbraw/zinc/45/92/27/806459227.db2.gz NGWXATDLSVBSSA-UBHSHLNASA-N 2 2 266.389 0.789 20 0 CCADLP Cc1cnc2n1CC[N@@H+](C)C21CCN(C[C@@H](C)[NH3+])CC1 ZINC001235598580 806468901 /nfs/dbraw/zinc/46/89/01/806468901.db2.gz ZWQDVHCMUNCDPZ-GFCCVEGCSA-N 2 2 277.416 0.775 20 0 CCADLP Cc1cnc2n1CC[N@H+](C)C21CCN(C[C@@H](C)[NH3+])CC1 ZINC001235598580 806468905 /nfs/dbraw/zinc/46/89/05/806468905.db2.gz ZWQDVHCMUNCDPZ-GFCCVEGCSA-N 2 2 277.416 0.775 20 0 CCADLP [NH3+]CC[N@@H+]1C[C@@H]2COC[C@]2(COCc2ccncc2)C1 ZINC001235611739 806473513 /nfs/dbraw/zinc/47/35/13/806473513.db2.gz OETYFHOXXLQQJR-HUUCEWRRSA-N 2 2 277.368 0.505 20 0 CCADLP [NH3+]CC[N@H+]1C[C@@H]2COC[C@]2(COCc2ccncc2)C1 ZINC001235611739 806473517 /nfs/dbraw/zinc/47/35/17/806473517.db2.gz OETYFHOXXLQQJR-HUUCEWRRSA-N 2 2 277.368 0.505 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@H]2CN(CCn3cc[nH+]c3)C[C@H]21 ZINC001277960956 806489105 /nfs/dbraw/zinc/48/91/05/806489105.db2.gz OTALJMCCZCSLOP-MELADBBJSA-N 2 2 264.373 0.270 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@H]2CN(CCn3cc[nH+]c3)C[C@H]21 ZINC001277960956 806489112 /nfs/dbraw/zinc/48/91/12/806489112.db2.gz OTALJMCCZCSLOP-MELADBBJSA-N 2 2 264.373 0.270 20 0 CCADLP Cn1nnc2cc(C[N@@H+]3C[C@@H]4CC[C@]4([NH3+])C3)ccc21 ZINC001235990439 806522590 /nfs/dbraw/zinc/52/25/90/806522590.db2.gz MYSXMMJOTLCHNI-FZMZJTMJSA-N 2 2 257.341 0.891 20 0 CCADLP Cn1nnc2cc(C[N@H+]3C[C@@H]4CC[C@]4([NH3+])C3)ccc21 ZINC001235990439 806522600 /nfs/dbraw/zinc/52/26/00/806522600.db2.gz MYSXMMJOTLCHNI-FZMZJTMJSA-N 2 2 257.341 0.891 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C[C@@H]2F)C[NH2+]1 ZINC001246089220 807150194 /nfs/dbraw/zinc/15/01/94/807150194.db2.gz CBGFDDAWYYKOSD-YFKTTZPYSA-N 2 2 287.379 0.348 20 0 CCADLP CCn1c[nH+]cc1CN1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001236001526 806528036 /nfs/dbraw/zinc/52/80/36/806528036.db2.gz IRZYSXTVAKZHSO-QYJAPNMZSA-N 2 2 250.346 0.309 20 0 CCADLP CCOC(=O)[C@]12CN(Cc3c[nH+]cn3C)C[C@H]1C[NH2+]CC2 ZINC001236038520 806532821 /nfs/dbraw/zinc/53/28/21/806532821.db2.gz KKQMWXPSBMHUFY-IUODEOHRSA-N 2 2 292.383 0.395 20 0 CCADLP CCOC(=O)[C@]12C[N@H+](Cc3cnco3)C[C@H]1C[NH2+]CC2 ZINC001236037584 806531679 /nfs/dbraw/zinc/53/16/79/806531679.db2.gz AKUAFODKBWPYMV-BXUZGUMPSA-N 2 2 279.340 0.649 20 0 CCADLP CCOC(=O)[C@]12C[N@@H+](Cc3cnco3)C[C@H]1C[NH2+]CC2 ZINC001236037584 806531683 /nfs/dbraw/zinc/53/16/83/806531683.db2.gz AKUAFODKBWPYMV-BXUZGUMPSA-N 2 2 279.340 0.649 20 0 CCADLP COCC[NH2+]C[C@@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001278016293 806612230 /nfs/dbraw/zinc/61/22/30/806612230.db2.gz SYOOPSOMFGTKGI-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP C[NH+]1CCN(c2cccc(C[NH+]3CC(O)C3)c2)CC1 ZINC001236887952 806617829 /nfs/dbraw/zinc/61/78/29/806617829.db2.gz RNJYHEHNJLOSON-UHFFFAOYSA-N 2 2 261.369 0.615 20 0 CCADLP COC(=O)[C@H]1C[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C[C@@H]1C ZINC001236975095 806624401 /nfs/dbraw/zinc/62/44/01/806624401.db2.gz GUSSQJOXBBRGOP-DCAQKATOSA-N 2 2 256.346 0.452 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C[C@@H]1C ZINC001236975095 806624403 /nfs/dbraw/zinc/62/44/03/806624403.db2.gz GUSSQJOXBBRGOP-DCAQKATOSA-N 2 2 256.346 0.452 20 0 CCADLP C[C@H]1CN(c2cc(N)[nH+]cn2)CC[N@@H+]1CC(C)(C)O ZINC001120839042 798947328 /nfs/dbraw/zinc/94/73/28/798947328.db2.gz OSZNCSUSABNUEN-JTQLQIEISA-N 2 2 265.361 0.340 20 0 CCADLP C[C@H]1CN(c2cc(N)[nH+]cn2)CC[N@H+]1CC(C)(C)O ZINC001120839042 798947330 /nfs/dbraw/zinc/94/73/30/798947330.db2.gz OSZNCSUSABNUEN-JTQLQIEISA-N 2 2 265.361 0.340 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)Nc1nccnc1C[NH3+] ZINC001120875486 798953787 /nfs/dbraw/zinc/95/37/87/798953787.db2.gz XZJUHZNNLLBSBI-LLVKDONJSA-N 2 2 265.361 0.458 20 0 CCADLP Nc1cc(NC[C@H]2CC[N@@H+]2C2CCOCC2)nc[nH+]1 ZINC001120963208 798970317 /nfs/dbraw/zinc/97/03/17/798970317.db2.gz JYRXJUBOQWWLIO-LLVKDONJSA-N 2 2 263.345 0.724 20 0 CCADLP Nc1cc(NC[C@H]2CC[N@H+]2C2CCOCC2)nc[nH+]1 ZINC001120963208 798970320 /nfs/dbraw/zinc/97/03/20/798970320.db2.gz JYRXJUBOQWWLIO-LLVKDONJSA-N 2 2 263.345 0.724 20 0 CCADLP CN1CC[NH2+]C[C@H]1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001122113808 799147376 /nfs/dbraw/zinc/14/73/76/799147376.db2.gz DYKXJFRIYKKUTI-NSHDSACASA-N 2 2 259.313 0.176 20 0 CCADLP CCOC1CC(C(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC001122156701 799157520 /nfs/dbraw/zinc/15/75/20/799157520.db2.gz AIRSQPYGWNWFOA-UHFFFAOYSA-N 2 2 269.389 0.341 20 0 CCADLP NC(=O)NC1CC[NH+](Cc2cccc3c[nH+]cn32)CC1 ZINC001238102360 806750861 /nfs/dbraw/zinc/75/08/61/806750861.db2.gz BOHMUSURZWNJAA-UHFFFAOYSA-N 2 2 273.340 0.967 20 0 CCADLP Cc1ncncc1C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001238170139 806767875 /nfs/dbraw/zinc/76/78/75/806767875.db2.gz QHUDKTVJJZAEMM-UHFFFAOYSA-N 2 2 289.427 0.997 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001124867700 799641430 /nfs/dbraw/zinc/64/14/30/799641430.db2.gz YAQCMQWUFZTXHJ-MWLCHTKSSA-N 2 2 281.360 0.239 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001124867700 799641434 /nfs/dbraw/zinc/64/14/34/799641434.db2.gz YAQCMQWUFZTXHJ-MWLCHTKSSA-N 2 2 281.360 0.239 20 0 CCADLP C[N@H+](C1CC1)C1CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC001202898956 799784115 /nfs/dbraw/zinc/78/41/15/799784115.db2.gz KJBSQMKQDACRDN-NSHDSACASA-N 2 2 251.374 0.824 20 0 CCADLP C[N@@H+](C1CC1)C1CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC001202898956 799784118 /nfs/dbraw/zinc/78/41/18/799784118.db2.gz KJBSQMKQDACRDN-NSHDSACASA-N 2 2 251.374 0.824 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(=O)[nH]c2)C1 ZINC001139470436 799818763 /nfs/dbraw/zinc/81/87/63/799818763.db2.gz TWSIXNZEBDYVJG-CYBMUJFWSA-N 2 2 292.383 0.429 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(=O)[nH]c2)C1 ZINC001139470436 799818771 /nfs/dbraw/zinc/81/87/71/799818771.db2.gz TWSIXNZEBDYVJG-CYBMUJFWSA-N 2 2 292.383 0.429 20 0 CCADLP C[N@H+](CC(=O)N1CCOCC1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140799802 799942955 /nfs/dbraw/zinc/94/29/55/799942955.db2.gz NCEUUVLRWVAJBW-UHFFFAOYSA-N 2 2 288.351 0.854 20 0 CCADLP C[N@@H+](CC(=O)N1CCOCC1)Cc1c[nH]c2cc[nH+]cc12 ZINC001140799802 799942960 /nfs/dbraw/zinc/94/29/60/799942960.db2.gz NCEUUVLRWVAJBW-UHFFFAOYSA-N 2 2 288.351 0.854 20 0 CCADLP c1cn2c([nH+]1)CC[N@H+](Cc1cn3c(n1)COCC3)CC2 ZINC001141537017 800018065 /nfs/dbraw/zinc/01/80/65/800018065.db2.gz CESSYKXKULPCIR-UHFFFAOYSA-N 2 2 273.340 0.668 20 0 CCADLP c1cn2c([nH+]1)CC[N@@H+](Cc1cn3c(n1)COCC3)CC2 ZINC001141537017 800018072 /nfs/dbraw/zinc/01/80/72/800018072.db2.gz CESSYKXKULPCIR-UHFFFAOYSA-N 2 2 273.340 0.668 20 0 CCADLP Cc1[nH]c2c([nH+]1)CCN(C(=O)C[N@@H+](C)C(C)C)CC2 ZINC001142584257 800134017 /nfs/dbraw/zinc/13/40/17/800134017.db2.gz PNIGEDXKEXXHBV-UHFFFAOYSA-N 2 2 264.373 0.986 20 0 CCADLP Cc1[nH]c2c([nH+]1)CCN(C(=O)C[N@H+](C)C(C)C)CC2 ZINC001142584257 800134022 /nfs/dbraw/zinc/13/40/22/800134022.db2.gz PNIGEDXKEXXHBV-UHFFFAOYSA-N 2 2 264.373 0.986 20 0 CCADLP C[NH+]1CCN(C2C[NH+](Cc3cccc4[nH]cnc43)C2)CC1 ZINC001142696502 800148498 /nfs/dbraw/zinc/14/84/98/800148498.db2.gz NNFZTBLTSDNITG-UHFFFAOYSA-N 2 2 285.395 0.995 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001278285492 806813949 /nfs/dbraw/zinc/81/39/49/806813949.db2.gz QSFZQAWNMSBZJI-QWHCGFSZSA-N 2 2 294.399 0.578 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1C[N@H+](CC2CC2)CCCO1 ZINC001150371027 800332141 /nfs/dbraw/zinc/33/21/41/800332141.db2.gz FTDJQNAZKIIFFX-AWEZNQCLSA-N 2 2 292.383 0.569 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1C[N@@H+](CC2CC2)CCCO1 ZINC001150371027 800332147 /nfs/dbraw/zinc/33/21/47/800332147.db2.gz FTDJQNAZKIIFFX-AWEZNQCLSA-N 2 2 292.383 0.569 20 0 CCADLP CCc1nnc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001151066968 800393199 /nfs/dbraw/zinc/39/31/99/800393199.db2.gz ZHTXNYJGNXVKLS-WDEREUQCSA-N 2 2 295.387 0.351 20 0 CCADLP CCc1nnc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001151066968 800393207 /nfs/dbraw/zinc/39/32/07/800393207.db2.gz ZHTXNYJGNXVKLS-WDEREUQCSA-N 2 2 295.387 0.351 20 0 CCADLP CCc1noc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001151073271 800395363 /nfs/dbraw/zinc/39/53/63/800395363.db2.gz IFIJQPDIXXVCOQ-GHMZBOCLSA-N 2 2 295.387 0.351 20 0 CCADLP CCc1noc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001151073271 800395367 /nfs/dbraw/zinc/39/53/67/800395367.db2.gz IFIJQPDIXXVCOQ-GHMZBOCLSA-N 2 2 295.387 0.351 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)C[NH+]1CCCC1)c1csnn1 ZINC001151100755 800399882 /nfs/dbraw/zinc/39/98/82/800399882.db2.gz GUGZBHJIIVTYGO-JTQLQIEISA-N 2 2 283.401 0.401 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[NH2+]Cc1cnc(C)cn1 ZINC001151121233 800400934 /nfs/dbraw/zinc/40/09/34/800400934.db2.gz DZGGBMPAFPDTLV-UHFFFAOYSA-N 2 2 288.355 0.196 20 0 CCADLP CC(C)c1nnc(C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C)[nH]1 ZINC001152439328 800521652 /nfs/dbraw/zinc/52/16/52/800521652.db2.gz IISRFKPHWFVPPE-UHFFFAOYSA-N 2 2 296.419 0.474 20 0 CCADLP CC(C)c1nnc(C[NH2+]CCNC(=O)C[N@H+](C)C(C)C)[nH]1 ZINC001152439328 800521654 /nfs/dbraw/zinc/52/16/54/800521654.db2.gz IISRFKPHWFVPPE-UHFFFAOYSA-N 2 2 296.419 0.474 20 0 CCADLP CC[N@H+](C[C@H](C)O)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153114459 800598122 /nfs/dbraw/zinc/59/81/22/800598122.db2.gz DSPZRQGXYZJFLI-NEPJUHHUSA-N 2 2 282.388 0.550 20 0 CCADLP CC[N@@H+](C[C@H](C)O)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153114459 800598126 /nfs/dbraw/zinc/59/81/26/800598126.db2.gz DSPZRQGXYZJFLI-NEPJUHHUSA-N 2 2 282.388 0.550 20 0 CCADLP C[C@H](O)CCC[NH2+]CCNC(=O)CCCn1cc[nH+]c1 ZINC001153345531 800624237 /nfs/dbraw/zinc/62/42/37/800624237.db2.gz ZDDQPJLKWFPOBU-ZDUSSCGKSA-N 2 2 282.388 0.530 20 0 CCADLP Cc1ncsc1C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153487590 800634081 /nfs/dbraw/zinc/63/40/81/800634081.db2.gz HCDDONFTNSINOO-UHFFFAOYSA-N 2 2 279.369 0.554 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)c1nc2c(s1)C[N@H+](C)CC2 ZINC001154222538 800743718 /nfs/dbraw/zinc/74/37/18/800743718.db2.gz GLRSYSUVGBRXMA-SECBINFHSA-N 2 2 282.413 0.811 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)c1nc2c(s1)C[N@@H+](C)CC2 ZINC001154222538 800743722 /nfs/dbraw/zinc/74/37/22/800743722.db2.gz GLRSYSUVGBRXMA-SECBINFHSA-N 2 2 282.413 0.811 20 0 CCADLP C[C@@H](CN1CC[NH2+]CC1)Nc1nc(NC2CC2)cc[nH+]1 ZINC001154747516 800837483 /nfs/dbraw/zinc/83/74/83/800837483.db2.gz KMTMEUYFNSRWTO-NSHDSACASA-N 2 2 276.388 0.757 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNc2[nH+]ccc3c2NC(=O)CO3)C1 ZINC001155197368 800929963 /nfs/dbraw/zinc/92/99/63/800929963.db2.gz TUZJVRJPEKWMEF-VIFPVBQESA-N 2 2 278.312 0.155 20 0 CCADLP C[N@H+]1CCO[C@@H](CNc2[nH+]ccc3c2NC(=O)CO3)C1 ZINC001155197368 800929971 /nfs/dbraw/zinc/92/99/71/800929971.db2.gz TUZJVRJPEKWMEF-VIFPVBQESA-N 2 2 278.312 0.155 20 0 CCADLP CN(C)c1cc(N[C@@H]2COCCC23C[NH2+]C3)[nH+]cn1 ZINC001155462832 800980844 /nfs/dbraw/zinc/98/08/44/800980844.db2.gz QHIDQPSGJGMXIO-SNVBAGLBSA-N 2 2 263.345 0.333 20 0 CCADLP CN(C)c1cc(N[C@@H]2COCCC23C[NH2+]C3)nc[nH+]1 ZINC001155462832 800980848 /nfs/dbraw/zinc/98/08/48/800980848.db2.gz QHIDQPSGJGMXIO-SNVBAGLBSA-N 2 2 263.345 0.333 20 0 CCADLP Cc1cc[nH+]c(NCC[C@H]2CCOC23C[NH2+]C3)c1C(N)=O ZINC001155477725 800985300 /nfs/dbraw/zinc/98/53/00/800985300.db2.gz OLJFGVSQWNPFPB-NSHDSACASA-N 2 2 290.367 0.669 20 0 CCADLP Cc1nc(N(C)C)nc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)[nH+]1 ZINC001155527011 801000415 /nfs/dbraw/zinc/00/04/15/801000415.db2.gz IJCPDRKXKNSRTR-IJLUTSLNSA-N 2 2 292.387 0.282 20 0 CCADLP c1cc(NC[C@@]23C[NH2+][C@@H](CO2)C3)[nH+]cc1N1CC[NH2+]CC1 ZINC001155543082 801003452 /nfs/dbraw/zinc/00/34/52/801003452.db2.gz AMXMXJNPKGXUNN-IUODEOHRSA-N 3 2 289.383 0.034 20 0 CCADLP [NH2+]=C(NCCCC[NH3+])Nc1[nH]nc(Cl)c2ncnc1-2 ZINC001157097017 801301073 /nfs/dbraw/zinc/30/10/73/801301073.db2.gz QUDHXVCEQUKTMP-UHFFFAOYSA-N 2 2 282.739 0.681 20 0 CCADLP CCC(C)(CC)OC(=O)C[C@H]([NH3+])C(=O)N1CC[NH+](C)CC1 ZINC001157450493 801385284 /nfs/dbraw/zinc/38/52/84/801385284.db2.gz CSESRWBKMGWSBH-LBPRGKRZSA-N 2 2 299.415 0.600 20 0 CCADLP C[NH+]1CCN(C(=O)[C@H]([NH3+])Cc2ccc3ccccc3n2)CC1 ZINC001157450403 801386133 /nfs/dbraw/zinc/38/61/33/801386133.db2.gz ACNYRPQAMNHOHC-OAHLLOKOSA-N 2 2 298.390 0.879 20 0 CCADLP OC[C@H]1C[C@@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC001157460475 801390542 /nfs/dbraw/zinc/39/05/42/801390542.db2.gz MSUWIALZCWCEHE-TXEJJXNPSA-N 2 2 262.357 0.674 20 0 CCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001157580322 801426028 /nfs/dbraw/zinc/42/60/28/801426028.db2.gz ZNMNMZQEXVQOBG-GJZGRUSLSA-N 3 2 294.443 0.400 20 0 CCADLP c1nc(N2C[C@@H]3C[NH2+][C@@H]3C2)cc(N2CCCCC2)[nH+]1 ZINC001157624181 801437547 /nfs/dbraw/zinc/43/75/47/801437547.db2.gz SSZQUENHLFLRPW-NWDGAFQWSA-N 2 2 259.357 0.875 20 0 CCADLP C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CC(F)(F)C2)C[C@@H]1[NH3+] ZINC001157800244 801488952 /nfs/dbraw/zinc/48/89/52/801488952.db2.gz ZQYVEYUSZAQIDN-UTLUCORTSA-N 2 2 261.316 0.427 20 0 CCADLP CCOCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C ZINC001278301868 806916311 /nfs/dbraw/zinc/91/63/11/806916311.db2.gz QCKNXZPIOHTCFY-YPMHNXCESA-N 2 2 280.372 0.568 20 0 CCADLP COCc1cc(NC(=[NH2+])N2CC[NH+](C)CC2)nc(C)n1 ZINC001157915094 801519369 /nfs/dbraw/zinc/51/93/69/801519369.db2.gz OWMMRKQZCXLOMJ-UHFFFAOYSA-N 2 2 278.360 0.525 20 0 CCADLP CC1(C)CN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)[C@@](C)(CO)C1 ZINC001157926367 801524839 /nfs/dbraw/zinc/52/48/39/801524839.db2.gz PEDHEXDPOYIXQC-FKGLVLAHSA-N 2 2 281.400 0.218 20 0 CCADLP O=C(N1CCC(OC2CCC2)CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157960008 801540726 /nfs/dbraw/zinc/54/07/26/801540726.db2.gz GUTQJJKVTBAJNR-BLLLJJGKSA-N 2 2 293.411 0.498 20 0 CCADLP [NH3+]C1(C(=O)N2CCC3(C[C@@H]3CCO)CC2)CC[NH2+]CC1 ZINC001158111741 801574072 /nfs/dbraw/zinc/57/40/72/801574072.db2.gz REMJVXADXOZQLX-LBPRGKRZSA-N 2 2 281.400 0.078 20 0 CCADLP Cc1nc(CC[NH3+])nn1-c1cc(N2CCCC2)[nH+]c(C)n1 ZINC001158129602 801575040 /nfs/dbraw/zinc/57/50/40/801575040.db2.gz ZRIHHUCSOJLNCI-UHFFFAOYSA-N 2 2 287.371 0.776 20 0 CCADLP O=C(N1C[C@H]2[C@H](CC2(F)F)C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158192600 801587900 /nfs/dbraw/zinc/58/79/00/801587900.db2.gz AJGAFSXFGQDACQ-MWGHHZFTSA-N 2 2 271.311 0.052 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nc(Cl)nc2[nH]ccc21 ZINC001158202942 801591573 /nfs/dbraw/zinc/59/15/73/801591573.db2.gz BBUYFKAHTQAMCB-SSDOTTSWSA-N 2 2 292.730 0.659 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncnc2cnc(F)cc21 ZINC001158203537 801591635 /nfs/dbraw/zinc/59/16/35/801591635.db2.gz CZGHGBJJZGCEJO-MRVPVSSYSA-N 2 2 288.286 0.212 20 0 CCADLP COC(=O)c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1C ZINC001158203813 801592034 /nfs/dbraw/zinc/59/20/34/801592034.db2.gz HTOHHNAMMWZKHZ-SNVBAGLBSA-N 2 2 290.323 0.224 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2occc2n1 ZINC001158206377 801594643 /nfs/dbraw/zinc/59/46/43/801594643.db2.gz LNSSJDJBZXQIFD-SECBINFHSA-N 2 2 258.281 0.876 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncnc2cccc(F)c21 ZINC001158206197 801594968 /nfs/dbraw/zinc/59/49/68/801594968.db2.gz CITQTEQSYNUJJH-SECBINFHSA-N 2 2 287.298 0.817 20 0 CCADLP COCc1ccc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)nn1 ZINC001158267664 801610734 /nfs/dbraw/zinc/61/07/34/801610734.db2.gz IXFQDFFUPXMZAF-GFCCVEGCSA-N 2 2 291.399 0.625 20 0 CCADLP COCc1ccc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)nn1 ZINC001158267664 801610736 /nfs/dbraw/zinc/61/07/36/801610736.db2.gz IXFQDFFUPXMZAF-GFCCVEGCSA-N 2 2 291.399 0.625 20 0 CCADLP Nc1cc(N2CCO[C@@H](C[NH+]3CCCC3)C2)nc[nH+]1 ZINC001158306490 801618281 /nfs/dbraw/zinc/61/82/81/801618281.db2.gz OEAOECHLCXJALL-NSHDSACASA-N 2 2 263.345 0.360 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@@H]3[NH2+]C[C@H]32)cc1 ZINC001158429699 801647074 /nfs/dbraw/zinc/64/70/74/801647074.db2.gz AEJPJZOFBPNGIX-MELADBBJSA-N 3 2 274.368 0.222 20 0 CCADLP [NH3+]C1CCN(c2cccc(N3CC[N@@H+]4CC[C@@H]4C3)[nH+]2)CC1 ZINC001158435288 801648547 /nfs/dbraw/zinc/64/85/47/801648547.db2.gz XVNIEDBILNPDET-CQSZACIVSA-N 3 2 287.411 0.903 20 0 CCADLP [NH3+]C1CCN(c2cccc(N3CC[N@H+]4CC[C@@H]4C3)[nH+]2)CC1 ZINC001158435288 801648551 /nfs/dbraw/zinc/64/85/51/801648551.db2.gz XVNIEDBILNPDET-CQSZACIVSA-N 3 2 287.411 0.903 20 0 CCADLP C[N@H+](CCCO)C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001158654257 801678291 /nfs/dbraw/zinc/67/82/91/801678291.db2.gz SSRGNHPLLZHGGY-CYBMUJFWSA-N 2 2 294.399 0.648 20 0 CCADLP C[N@@H+](CCCO)C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001158654257 801678297 /nfs/dbraw/zinc/67/82/97/801678297.db2.gz SSRGNHPLLZHGGY-CYBMUJFWSA-N 2 2 294.399 0.648 20 0 CCADLP C[C@@H]1C[N@H+](C2CN(c3cccc(N)[nH+]3)C2)C[C@H](C)O1 ZINC001158717702 801693489 /nfs/dbraw/zinc/69/34/89/801693489.db2.gz KVWHFCDMUHNDSR-PHIMTYICSA-N 2 2 262.357 0.962 20 0 CCADLP C[C@@H]1C[N@@H+](C2CN(c3cccc(N)[nH+]3)C2)C[C@H](C)O1 ZINC001158717702 801693492 /nfs/dbraw/zinc/69/34/92/801693492.db2.gz KVWHFCDMUHNDSR-PHIMTYICSA-N 2 2 262.357 0.962 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCc2ncccc2C1 ZINC001160548800 801968066 /nfs/dbraw/zinc/96/80/66/801968066.db2.gz MBBPVDZMBSQZGO-GFCCVEGCSA-N 2 2 271.324 0.259 20 0 CCADLP COc1ccc(CN(C)C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c(OC)c1 ZINC001160676460 801998646 /nfs/dbraw/zinc/99/86/46/801998646.db2.gz VAGRHENKKMQXRO-YPMHNXCESA-N 2 2 293.367 0.351 20 0 CCADLP CN(Cc1ccc(F)cc1F)C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160876358 802038961 /nfs/dbraw/zinc/03/89/61/802038961.db2.gz WFVJMAWCVMQALH-IAQYHMDHSA-N 2 2 295.333 0.875 20 0 CCADLP CC1(C)CN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC(C)(C)O1 ZINC001160968683 802055462 /nfs/dbraw/zinc/05/54/62/802055462.db2.gz URZOCZXIOQBSOM-HFAKWTLXSA-N 2 2 281.400 0.624 20 0 CCADLP CN(C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)[C@H]1CCCC[C@H]1[NH3+] ZINC001161058308 802080438 /nfs/dbraw/zinc/08/04/38/802080438.db2.gz RGPIMHXRSPVOTA-AGIUHOORSA-N 3 2 279.388 0.018 20 0 CCADLP CN(Cc1cncs1)C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001161064596 802080528 /nfs/dbraw/zinc/08/05/28/802080528.db2.gz MEPXOCVPMZPBBA-JTQLQIEISA-N 2 2 265.342 0.395 20 0 CCADLP CCN(C(=O)[C@H]([NH3+])CCC(=O)OC(C)(C)C)C1C[NH+](C)C1 ZINC001161138807 802099045 /nfs/dbraw/zinc/09/90/45/802099045.db2.gz ZOPKMNDBXGSNFU-GFCCVEGCSA-N 2 2 299.415 0.598 20 0 CCADLP CC(C)(C)CN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C1CC[NH2+]CC1 ZINC001161261892 802116444 /nfs/dbraw/zinc/11/64/44/802116444.db2.gz OTEOTTVCOGOJOK-YPMHNXCESA-N 3 2 282.432 0.302 20 0 CCADLP COC(=O)[C@@H]([NH3+])CC(=O)N(CC(C)(C)C)C1CC[NH2+]CC1 ZINC001161257850 802117275 /nfs/dbraw/zinc/11/72/75/802117275.db2.gz DVTPQIXSCIMPFN-LBPRGKRZSA-N 2 2 299.415 0.504 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCCC[NH2+]Cc1nnc(C)o1 ZINC001162606116 802377381 /nfs/dbraw/zinc/37/73/81/802377381.db2.gz NKDDMVXDDUIDNE-UHFFFAOYSA-N 2 2 292.343 0.179 20 0 CCADLP Cc1nc(N(C)C)nc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)[nH+]1 ZINC001162798186 802420770 /nfs/dbraw/zinc/42/07/70/802420770.db2.gz RWKAFHJLDCEMES-HBNTYKKESA-N 2 2 260.345 0.432 20 0 CCADLP c1nc(N2CCCC2)cc(N[C@@H]2COCCC23C[NH2+]C3)[nH+]1 ZINC001163070461 802472689 /nfs/dbraw/zinc/47/26/89/802472689.db2.gz XZXOCOMDTZFLIB-GFCCVEGCSA-N 2 2 289.383 0.867 20 0 CCADLP c1nc(N[C@@H]2COCCC23C[NH2+]C3)cc(N2CCCC2)[nH+]1 ZINC001163070461 802472695 /nfs/dbraw/zinc/47/26/95/802472695.db2.gz XZXOCOMDTZFLIB-GFCCVEGCSA-N 2 2 289.383 0.867 20 0 CCADLP C[N@@H+]1CCc2ncnc(N[C@@H]3COCCC34C[NH2+]C4)c2C1 ZINC001163073578 802474366 /nfs/dbraw/zinc/47/43/66/802474366.db2.gz MGJSDENNDBHZQM-CYBMUJFWSA-N 2 2 289.383 0.255 20 0 CCADLP C[N@H+]1CCc2ncnc(N[C@@H]3COCCC34C[NH2+]C4)c2C1 ZINC001163073578 802474368 /nfs/dbraw/zinc/47/43/68/802474368.db2.gz MGJSDENNDBHZQM-CYBMUJFWSA-N 2 2 289.383 0.255 20 0 CCADLP COCCOc1cc(NC[C@@]23C[NH2+][C@@H](CO2)C3)cc[nH+]1 ZINC001163203346 802506909 /nfs/dbraw/zinc/50/69/09/802506909.db2.gz IYGDWVRONYRIQQ-OCCSQVGLSA-N 2 2 279.340 0.650 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCCC[NH2+]CCF ZINC001163274762 802526342 /nfs/dbraw/zinc/52/63/42/802526342.db2.gz FVFKDNITWVTENU-ZDUSSCGKSA-N 2 2 289.395 0.553 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCCC[NH2+]CCF ZINC001163274762 802526345 /nfs/dbraw/zinc/52/63/45/802526345.db2.gz FVFKDNITWVTENU-ZDUSSCGKSA-N 2 2 289.395 0.553 20 0 CCADLP Cc1cc(N(C(N)=[NH2+])c2cc(C3C[NH2+]C3)ncn2)n[nH]1 ZINC001163514225 802565017 /nfs/dbraw/zinc/56/50/17/802565017.db2.gz PWDCDQJLLYIUKC-UHFFFAOYSA-N 2 2 272.316 0.226 20 0 CCADLP Cc1nnc(C[NH2+]CCCNC(=O)CCn2cc[nH+]c2)o1 ZINC001163588476 802573119 /nfs/dbraw/zinc/57/31/19/802573119.db2.gz JJZDYPDFHVPENI-UHFFFAOYSA-N 2 2 292.343 0.261 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCC[NH2+]Cc1cnsn1 ZINC001163593114 802574552 /nfs/dbraw/zinc/57/45/52/802574552.db2.gz DPDRCDXGEDQXAQ-UHFFFAOYSA-N 2 2 294.384 0.421 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCC[NH2+]CC[C@H]1CCOC1 ZINC001163593229 802574969 /nfs/dbraw/zinc/57/49/69/802574969.db2.gz GCARXFHOVVKWBM-AWEZNQCLSA-N 2 2 294.399 0.796 20 0 CCADLP Cn1c[nH+]cc1-c1cccc(N(CC[NH3+])CCO)c1 ZINC001163835941 802621685 /nfs/dbraw/zinc/62/16/85/802621685.db2.gz KGSFGCBWFNIBKK-UHFFFAOYSA-N 2 2 260.341 0.845 20 0 CCADLP C/C=C(\NC=[NH2+])NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001164207397 802686993 /nfs/dbraw/zinc/68/69/93/802686993.db2.gz WMRULVUPWGPSBK-XGICHPGQSA-N 3 2 253.394 0.660 20 0 CCADLP C[NH+](C)C1(CNc2ncnc3nc[nH]c32)CC[NH+](C)CC1 ZINC001164206316 802687017 /nfs/dbraw/zinc/68/70/17/802687017.db2.gz MVMASWANTMLPAY-UHFFFAOYSA-N 2 2 289.387 0.742 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Nc2ccc(C3([NH3+])CC3)cc2)C[NH2+]1 ZINC001164308669 802717403 /nfs/dbraw/zinc/71/74/03/802717403.db2.gz PILVYAAQPDXJCL-STQMWFEESA-N 2 2 275.352 0.950 20 0 CCADLP [NH3+]CCON=c1nc(Cl)[nH]c2c1C[N@@H+](C1CC1)CC2 ZINC001164407867 802737967 /nfs/dbraw/zinc/73/79/67/802737967.db2.gz KIBCAEZAEAIJMF-UHFFFAOYSA-N 2 2 283.763 0.953 20 0 CCADLP [NH3+]CCON=c1nc(Cl)[nH]c2c1C[N@H+](C1CC1)CC2 ZINC001164407867 802737974 /nfs/dbraw/zinc/73/79/74/802737974.db2.gz KIBCAEZAEAIJMF-UHFFFAOYSA-N 2 2 283.763 0.953 20 0 CCADLP COC(=O)[C@@H]1C[NH2+]CCN1c1cc(-n2cc[nH+]c2)ccn1 ZINC001165442344 802845229 /nfs/dbraw/zinc/84/52/29/802845229.db2.gz MVEANGJHRPPCID-LBPRGKRZSA-N 2 2 287.323 0.219 20 0 CCADLP CN(C)C1=[NH+]OC2(C1)CCN(c1cc[nH+]c(N)n1)CC2 ZINC001166034733 802881179 /nfs/dbraw/zinc/88/11/79/802881179.db2.gz LFOZQZAPLHQKCE-UHFFFAOYSA-N 2 2 276.344 0.693 20 0 CCADLP CCOCC[NH2+]C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001203494828 803030716 /nfs/dbraw/zinc/03/07/16/803030716.db2.gz ZEGMSXMVVXHORB-UHFFFAOYSA-N 2 2 294.399 0.878 20 0 CCADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@](O)(C[NH3+])C2)C1 ZINC001205665463 803153731 /nfs/dbraw/zinc/15/37/31/803153731.db2.gz RMUDTGCCWRKVMJ-KGLIPLIRSA-N 3 2 255.406 0.504 20 0 CCADLP C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@](O)(C[NH3+])C2)C1 ZINC001205665463 803153736 /nfs/dbraw/zinc/15/37/36/803153736.db2.gz RMUDTGCCWRKVMJ-KGLIPLIRSA-N 3 2 255.406 0.504 20 0 CCADLP C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)C1 ZINC001205665463 803153738 /nfs/dbraw/zinc/15/37/38/803153738.db2.gz RMUDTGCCWRKVMJ-KGLIPLIRSA-N 3 2 255.406 0.504 20 0 CCADLP C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@](O)(C[NH3+])C2)C1 ZINC001205665463 803153741 /nfs/dbraw/zinc/15/37/41/803153741.db2.gz RMUDTGCCWRKVMJ-KGLIPLIRSA-N 3 2 255.406 0.504 20 0 CCADLP Cn1nc2ccccc2c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205946039 803189575 /nfs/dbraw/zinc/18/95/75/803189575.db2.gz HTFRVEKSTWJGEH-BXUZGUMPSA-N 2 2 260.341 0.467 20 0 CCADLP Cn1nc2ccccc2c1C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205946039 803189576 /nfs/dbraw/zinc/18/95/76/803189576.db2.gz HTFRVEKSTWJGEH-BXUZGUMPSA-N 2 2 260.341 0.467 20 0 CCADLP Cc1nc(C[N@H+]2CCC(=O)N(CC[NH+](C)C)CC2)co1 ZINC001206074383 803201421 /nfs/dbraw/zinc/20/14/21/803201421.db2.gz PXMCCSXKZKFWGE-UHFFFAOYSA-N 2 2 280.372 0.579 20 0 CCADLP Cn1cnc(C[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1 ZINC001206222124 803217523 /nfs/dbraw/zinc/21/75/23/803217523.db2.gz PHKUKEJOORLNNQ-LSDHHAIUSA-N 2 2 277.416 0.630 20 0 CCADLP Cn1cnc(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1 ZINC001206222124 803217528 /nfs/dbraw/zinc/21/75/28/803217528.db2.gz PHKUKEJOORLNNQ-LSDHHAIUSA-N 2 2 277.416 0.630 20 0 CCADLP Cn1nccc1C[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001206348940 803234095 /nfs/dbraw/zinc/23/40/95/803234095.db2.gz MVPTURUBIKHOTD-UHFFFAOYSA-N 2 2 265.405 0.489 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2c[nH]c3ncc(Cl)cc23)C[C@@H]1O ZINC001206511778 803254703 /nfs/dbraw/zinc/25/47/03/803254703.db2.gz BEHAFDUUMYLKBJ-UFBFGSQYSA-N 2 2 280.759 0.968 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2c[nH]c3ncc(Cl)cc23)C[C@@H]1O ZINC001206511778 803254707 /nfs/dbraw/zinc/25/47/07/803254707.db2.gz BEHAFDUUMYLKBJ-UFBFGSQYSA-N 2 2 280.759 0.968 20 0 CCADLP COc1ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(OC)c1 ZINC001206511802 803256117 /nfs/dbraw/zinc/25/61/17/803256117.db2.gz BZYKJNQMEQDMPQ-AAEUAGOBSA-N 2 2 266.341 0.455 20 0 CCADLP COc1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(OC)c1 ZINC001206511802 803256123 /nfs/dbraw/zinc/25/61/23/803256123.db2.gz BZYKJNQMEQDMPQ-AAEUAGOBSA-N 2 2 266.341 0.455 20 0 CCADLP Cc1nccc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)n1 ZINC001207169794 803365078 /nfs/dbraw/zinc/36/50/78/803365078.db2.gz OMURBESZBBZGPB-CYBMUJFWSA-N 2 2 291.399 0.427 20 0 CCADLP Cc1nccc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)n1 ZINC001207169794 803365084 /nfs/dbraw/zinc/36/50/84/803365084.db2.gz OMURBESZBBZGPB-CYBMUJFWSA-N 2 2 291.399 0.427 20 0 CCADLP CN(CC(C)(C)[NH+]1CCOCC1)[C@@H]1CC[N@H+](C)C1 ZINC001207304293 803382419 /nfs/dbraw/zinc/38/24/19/803382419.db2.gz PVUXILHGPHDWCN-CYBMUJFWSA-N 2 2 255.406 0.733 20 0 CCADLP CN(CC(C)(C)[NH+]1CCOCC1)[C@@H]1CC[N@@H+](C)C1 ZINC001207304293 803382425 /nfs/dbraw/zinc/38/24/25/803382425.db2.gz PVUXILHGPHDWCN-CYBMUJFWSA-N 2 2 255.406 0.733 20 0 CCADLP COC(=O)[C@H]1COCCC12C[NH+](C[C@H]1CCC[N@H+](C)C1)C2 ZINC001208616876 803530082 /nfs/dbraw/zinc/53/00/82/803530082.db2.gz MTKFBLNUHQPSTR-UONOGXRCSA-N 2 2 296.411 0.840 20 0 CCADLP COC(=O)[C@H]1COCCC12C[NH+](C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001208616876 803530085 /nfs/dbraw/zinc/53/00/85/803530085.db2.gz MTKFBLNUHQPSTR-UONOGXRCSA-N 2 2 296.411 0.840 20 0 CCADLP C1=CO[C@H](C[NH+]2CCN(CC[NH+]3CCOCC3)CC2)CC1 ZINC001208879822 803551119 /nfs/dbraw/zinc/55/11/19/803551119.db2.gz HMJHIGGHQDWEBF-INIZCTEOSA-N 2 2 295.427 0.629 20 0 CCADLP CC(C)[N@H+](C)[C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC001209293660 803589239 /nfs/dbraw/zinc/58/92/39/803589239.db2.gz HUXCFXOUUNHDLR-AWEZNQCLSA-N 2 2 255.406 0.733 20 0 CCADLP CC(C)[N@@H+](C)[C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC001209293660 803589245 /nfs/dbraw/zinc/58/92/45/803589245.db2.gz HUXCFXOUUNHDLR-AWEZNQCLSA-N 2 2 255.406 0.733 20 0 CCADLP CC[N@H+](C)C1CCN(CC[NH+]2CCOCC2)CC1 ZINC001209293752 803589519 /nfs/dbraw/zinc/58/95/19/803589519.db2.gz MWOUBFUHXTVRFP-UHFFFAOYSA-N 2 2 255.406 0.735 20 0 CCADLP CC[N@@H+](C)C1CCN(CC[NH+]2CCOCC2)CC1 ZINC001209293752 803589520 /nfs/dbraw/zinc/58/95/20/803589520.db2.gz MWOUBFUHXTVRFP-UHFFFAOYSA-N 2 2 255.406 0.735 20 0 CCADLP C[N@@H+]1C[C@H]2CCCN(CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001209295606 803591251 /nfs/dbraw/zinc/59/12/51/803591251.db2.gz ZSGSDBCZSMOIMR-ZIAGYGMSSA-N 2 2 253.390 0.345 20 0 CCADLP C[N@H+]1C[C@H]2CCCN(CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001209295606 803591257 /nfs/dbraw/zinc/59/12/57/803591257.db2.gz ZSGSDBCZSMOIMR-ZIAGYGMSSA-N 2 2 253.390 0.345 20 0 CCADLP CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2c[nH+]ccc2N)C1 ZINC001209732041 803626256 /nfs/dbraw/zinc/62/62/56/803626256.db2.gz GYCZAKUMPPXQEP-GFCCVEGCSA-N 2 2 277.372 0.730 20 0 CCADLP CN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2c[nH+]ccc2N)C1 ZINC001209732041 803626257 /nfs/dbraw/zinc/62/62/57/803626257.db2.gz GYCZAKUMPPXQEP-GFCCVEGCSA-N 2 2 277.372 0.730 20 0 CCADLP CC[C@@H](C[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1)OC ZINC001209835410 803632259 /nfs/dbraw/zinc/63/22/59/803632259.db2.gz APQUAYBZVJMQJF-JSGCOSHPSA-N 2 2 294.399 0.958 20 0 CCADLP COCC[NH+]1CCC(OCC[NH+]2CCOCC2)CC1 ZINC001210207390 803641849 /nfs/dbraw/zinc/64/18/49/803641849.db2.gz NYJICZJGXVICJR-UHFFFAOYSA-N 2 2 272.389 0.446 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001210304744 803646639 /nfs/dbraw/zinc/64/66/39/803646639.db2.gz PKDBCOQYLHXKEN-RYUDHWBXSA-N 2 2 280.372 0.568 20 0 CCADLP CC[C@H](C[NH2+][C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1)OC ZINC001210305217 803647101 /nfs/dbraw/zinc/64/71/01/803647101.db2.gz URWVCEIWBBVJDB-QWHCGFSZSA-N 2 2 294.399 0.958 20 0 CCADLP Cc1[nH]c(CN2C[C@H]3CN(CC[NH+](C)C)C[C@@H](C2)O3)c[nH+]1 ZINC001276685078 803651828 /nfs/dbraw/zinc/65/18/28/803651828.db2.gz SDVDIVZNVHZMLD-GASCZTMLSA-N 2 2 293.415 0.165 20 0 CCADLP Cc1[nH]cc(CN2C[C@H]3CN(CC[NH+](C)C)C[C@@H](C2)O3)[nH+]1 ZINC001276685078 803651831 /nfs/dbraw/zinc/65/18/31/803651831.db2.gz SDVDIVZNVHZMLD-GASCZTMLSA-N 2 2 293.415 0.165 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)CC[NH2+]C(C)(C)C ZINC000401763136 803799900 /nfs/dbraw/zinc/79/99/00/803799900.db2.gz JQZXMEGTHUZQIG-UHFFFAOYSA-N 2 2 252.362 0.857 20 0 CCADLP Cc1noc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)n1 ZINC001215456127 803809706 /nfs/dbraw/zinc/80/97/06/803809706.db2.gz OSWILSNWUWKONQ-ZYHUDNBSSA-N 2 2 295.387 0.266 20 0 CCADLP [NH3+][C@@H](CN1CCC([NH3+])CC1)c1nnc(C2CC2)o1 ZINC001217757718 803912248 /nfs/dbraw/zinc/91/22/48/803912248.db2.gz RNIGIIAQXNOSDK-JTQLQIEISA-N 2 2 251.334 0.370 20 0 CCADLP Cn1ccnc1NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001218498298 803964343 /nfs/dbraw/zinc/96/43/43/803964343.db2.gz TVWCLWJEMSTTAT-LLVKDONJSA-N 2 2 259.313 0.631 20 0 CCADLP CCOC(=O)c1c(C)nsc1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218546871 803999180 /nfs/dbraw/zinc/99/91/80/803999180.db2.gz ONAXBIGDDSXUKS-ZETCQYMHSA-N 2 2 286.357 0.243 20 0 CCADLP Nc1cccc(-c2cccc(NC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])n2)n1 ZINC001218560993 804006804 /nfs/dbraw/zinc/00/68/04/804006804.db2.gz CLYXMDVSDPFTQG-UWVGGRQHSA-N 2 2 298.350 0.211 20 0 CCADLP Cn1nc(C(C)(C)C)cc1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218605215 804031630 /nfs/dbraw/zinc/03/16/30/804031630.db2.gz DSAGEQSJBCDPEV-UHFFFAOYSA-N 2 2 279.388 0.737 20 0 CCADLP [NH3+]C1(C(=O)Nc2nccc3cnccc32)CC[NH2+]CC1 ZINC001218637924 804052661 /nfs/dbraw/zinc/05/26/61/804052661.db2.gz SVGGXHLXEBJIGP-UHFFFAOYSA-N 2 2 271.324 0.649 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cnc2ccccc2n1 ZINC001218652729 804062695 /nfs/dbraw/zinc/06/26/95/804062695.db2.gz IKWGAMCVHGFNJC-IUCAKERBSA-N 2 2 257.297 0.115 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cc(=O)n(-c3ccccc3)[nH]2)C1 ZINC001218662392 804071597 /nfs/dbraw/zinc/07/15/97/804071597.db2.gz AGFDHIJSOSDDGM-KOLCDFICSA-N 2 2 287.323 0.206 20 0 CCADLP COC(=O)c1c(C)scc1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218667061 804073654 /nfs/dbraw/zinc/07/36/54/804073654.db2.gz JKIXDWGHSBDDIT-ZETCQYMHSA-N 2 2 271.342 0.458 20 0 CCADLP Cc1cc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cnc1OC(C)C ZINC001218760767 804114745 /nfs/dbraw/zinc/11/47/45/804114745.db2.gz XYCXFMYHUVPBSP-RYUDHWBXSA-N 2 2 278.356 0.662 20 0 CCADLP Nc1nc(Cl)ccc1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218768546 804116439 /nfs/dbraw/zinc/11/64/39/804116439.db2.gz NVTVIXPXADFKCE-SSDOTTSWSA-N 2 2 280.719 0.549 20 0 CCADLP Nc1nc(Cl)ccc1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218768699 804116688 /nfs/dbraw/zinc/11/66/88/804116688.db2.gz UFMZYXIIDSEZJJ-UHFFFAOYSA-N 2 2 283.763 0.597 20 0 CCADLP Cc1ccc(CO)cc1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218812373 804132326 /nfs/dbraw/zinc/13/23/26/804132326.db2.gz QQOPJJJGUDFUOY-UHFFFAOYSA-N 2 2 263.341 0.507 20 0 CCADLP Cc1cn(-c2ccc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc2F)cn1 ZINC001219082943 804194775 /nfs/dbraw/zinc/19/47/75/804194775.db2.gz DRBGKASPZGGWTI-LBPRGKRZSA-N 2 2 291.330 0.934 20 0 CCADLP Cc1c(C)c(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c(C)c(C)c1N ZINC001219214994 804238527 /nfs/dbraw/zinc/23/85/27/804238527.db2.gz HDMQYDNBPJLLOT-RYUDHWBXSA-N 2 2 276.384 0.988 20 0 CCADLP CC1(C)CC(=O)Nc2c(NC(=O)[C@@H]([NH3+])CC[NH3+])cccc21 ZINC001219367332 804287878 /nfs/dbraw/zinc/28/78/78/804287878.db2.gz LJMCRXPXRHXPDD-JTQLQIEISA-N 2 2 290.367 0.921 20 0 CCADLP COc1cc(C)c(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc1C ZINC001219391282 804295932 /nfs/dbraw/zinc/29/59/32/804295932.db2.gz QKFRWYKAMVQSNU-PWSUYJOCSA-N 2 2 263.341 0.940 20 0 CCADLP O=C(NCc1ccc2c(c1)CCC2)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219571838 804355621 /nfs/dbraw/zinc/35/56/21/804355621.db2.gz RIBIOCZDEIPCBF-RDJZCZTQSA-N 2 2 285.391 0.743 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)[C@@H]([NH3+])Cc2ccsc2)c1 ZINC001219632791 804382237 /nfs/dbraw/zinc/38/22/37/804382237.db2.gz QNOHUOAQBHYGQW-LBPRGKRZSA-N 2 2 278.381 0.710 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)c2ccccc2C[NH3+])c1 ZINC001219634290 804384182 /nfs/dbraw/zinc/38/41/82/804384182.db2.gz RTOSJWGTUVWNLA-UHFFFAOYSA-N 2 2 258.325 0.851 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])C2CCCCC2)C1 ZINC001219694050 804406014 /nfs/dbraw/zinc/40/60/14/804406014.db2.gz DZLBVRVTHGNTMO-OLZOCXBDSA-N 2 2 269.389 0.341 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])C2CCCCC2)C1 ZINC001219694050 804406018 /nfs/dbraw/zinc/40/60/18/804406018.db2.gz DZLBVRVTHGNTMO-OLZOCXBDSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H](NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)c1nc2ccccc2[nH]1 ZINC001219700715 804408302 /nfs/dbraw/zinc/40/83/02/804408302.db2.gz BSNKDHUHSJDCNW-LYOVBCGYSA-N 2 2 299.378 0.692 20 0 CCADLP C[NH+]1CC(NC(=O)C[C@@H]([NH3+])Cc2ccc(F)c(F)c2)C1 ZINC001220013219 804471230 /nfs/dbraw/zinc/47/12/30/804471230.db2.gz LRUJFLCSEGDSKH-JTQLQIEISA-N 2 2 283.322 0.655 20 0 CCADLP O=C(NCc1ccc2n[nH]cc2c1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220025835 804476088 /nfs/dbraw/zinc/47/60/88/804476088.db2.gz YGIIJWJBYGZMQM-FPMFFAJLSA-N 2 2 285.351 0.129 20 0 CCADLP C[C@H](CCCC(C)(C)O)NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220243119 804546260 /nfs/dbraw/zinc/54/62/60/804546260.db2.gz PKELLZDWTBFDFN-YPMHNXCESA-N 2 2 296.415 0.736 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCc1cccc2n[nH]cc21 ZINC001220308187 804569185 /nfs/dbraw/zinc/56/91/85/804569185.db2.gz FZCQTBUQJCGLNX-ZDUSSCGKSA-N 2 2 298.350 0.483 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](O)C1CCCCC1 ZINC001220467487 804610936 /nfs/dbraw/zinc/61/09/36/804610936.db2.gz YCHWCSBWSGNOOW-OLZOCXBDSA-N 2 2 280.372 0.337 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001220520252 804618260 /nfs/dbraw/zinc/61/82/60/804618260.db2.gz ODWWTGSEAPQYEL-HONMWMINSA-N 2 2 292.383 0.160 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001220520252 804618263 /nfs/dbraw/zinc/61/82/63/804618263.db2.gz ODWWTGSEAPQYEL-HONMWMINSA-N 2 2 292.383 0.160 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001220520252 804618266 /nfs/dbraw/zinc/61/82/66/804618266.db2.gz ODWWTGSEAPQYEL-HONMWMINSA-N 2 2 292.383 0.160 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001220520252 804618270 /nfs/dbraw/zinc/61/82/70/804618270.db2.gz ODWWTGSEAPQYEL-HONMWMINSA-N 2 2 292.383 0.160 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1nccc(Cl)n1 ZINC001220530877 804619894 /nfs/dbraw/zinc/61/98/94/804619894.db2.gz ZWEPKPDARMRHLS-QMMMGPOBSA-N 2 2 280.719 0.039 20 0 CCADLP O=C(NCc1cccc2cc[nH]c21)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220714518 804654677 /nfs/dbraw/zinc/65/46/77/804654677.db2.gz OMKDIUIVQZRAEY-BBRMVZONSA-N 2 2 284.363 0.736 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1cc(F)cnc1Cl ZINC001220810722 804671561 /nfs/dbraw/zinc/67/15/61/804671561.db2.gz QSRLKCRXGTVGRG-IUCAKERBSA-N 2 2 272.711 0.037 20 0 CCADLP CC[C@@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)C(F)(F)F ZINC001220944871 804704113 /nfs/dbraw/zinc/70/41/13/804704113.db2.gz GVGFXDDOBBZTAO-DTWKUNHWSA-N 2 2 278.278 0.747 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC([NH3+])(CC3CCC3)CC2)C1 ZINC001220972285 804712997 /nfs/dbraw/zinc/71/29/97/804712997.db2.gz CBUIHVLQVFBKRR-OLZOCXBDSA-N 3 2 280.416 0.186 20 0 CCADLP CCOc1cccc(CNC(=O)C2([NH3+])CC[NH2+]CC2)n1 ZINC001221065598 804726024 /nfs/dbraw/zinc/72/60/24/804726024.db2.gz OSBTVQWPVFYTBT-UHFFFAOYSA-N 2 2 278.356 0.177 20 0 CCADLP Cc1cc(-c2cnc(N3CC[NH2+]CC3)nc2)c[nH+]c1N ZINC001241899555 806985424 /nfs/dbraw/zinc/98/54/24/806985424.db2.gz ZQWATISXCDHMJQ-UHFFFAOYSA-N 2 2 270.340 0.839 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@@H]2CCCc3cnccc32)C1 ZINC001221292582 804768214 /nfs/dbraw/zinc/76/82/14/804768214.db2.gz ORNVQSCTKLWOKB-RTXFEEFZSA-N 2 2 260.341 0.264 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CCC[C@H]2CO)cc1 ZINC001221309088 804772513 /nfs/dbraw/zinc/77/25/13/804772513.db2.gz GZIDOVQRJOCKAK-IHRRRGAJSA-N 2 2 277.368 0.536 20 0 CCADLP CC(C)(NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)c1cc(Cl)ccn1 ZINC001221393911 804798331 /nfs/dbraw/zinc/79/83/31/804798331.db2.gz RAAQTPSPYRVJQZ-ZJUUUORDSA-N 2 2 282.775 0.776 20 0 CCADLP O=C(N[C@H]1CCc2c1cccc2O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001221395258 804802073 /nfs/dbraw/zinc/80/20/73/804802073.db2.gz PVUAIBZTVQJPMI-NZPIUUIZSA-N 2 2 287.363 0.446 20 0 CCADLP COC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001221408922 804810328 /nfs/dbraw/zinc/81/03/28/804810328.db2.gz SFDRCWIUNOUKLI-SRVKXCTJSA-N 2 2 285.388 0.112 20 0 CCADLP COC(=O)[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001221408922 804810332 /nfs/dbraw/zinc/81/03/32/804810332.db2.gz SFDRCWIUNOUKLI-SRVKXCTJSA-N 2 2 285.388 0.112 20 0 CCADLP CC[C@@H](C[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)OC ZINC001222099654 804867987 /nfs/dbraw/zinc/86/79/87/804867987.db2.gz ZQULJFKRWGGQAG-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP C1=CO[C@H](CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)CC1 ZINC001222491452 804904204 /nfs/dbraw/zinc/90/42/04/804904204.db2.gz BVIAMRZNXHDQFH-IHRRRGAJSA-N 2 2 251.374 0.705 20 0 CCADLP C[C@@H](O)C[NH+]1CCC(CNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001223043597 804949684 /nfs/dbraw/zinc/94/96/84/804949684.db2.gz QTSCCOWZMJKWNZ-GFCCVEGCSA-N 2 2 294.399 0.551 20 0 CCADLP COCC[NH+]1CCC(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001224673584 805068422 /nfs/dbraw/zinc/06/84/22/805068422.db2.gz ZSRICMDRABRDAH-UHFFFAOYSA-N 2 2 280.372 0.427 20 0 CCADLP CO[C@H](C)C[NH+]1CCC(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001228535462 805454041 /nfs/dbraw/zinc/45/40/41/805454041.db2.gz ZEOADZCPBRXTHM-CYBMUJFWSA-N 2 2 294.399 0.889 20 0 CCADLP COCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCn2cc[nH+]c2)C1 ZINC001278389977 807060144 /nfs/dbraw/zinc/06/01/44/807060144.db2.gz BKPLULNWWNSBSR-CHWSQXEVSA-N 2 2 280.372 0.499 20 0 CCADLP O[C@@H](C[NH2+][C@H]1CCC[NH2+]C1)COCc1ccco1 ZINC001245978932 807105369 /nfs/dbraw/zinc/10/53/69/807105369.db2.gz GPVHBBFAKBXTAR-RYUDHWBXSA-N 2 2 254.330 0.499 20 0 CCADLP COc1cccc(OC[C@H](O)C[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC001245982351 807105443 /nfs/dbraw/zinc/10/54/43/807105443.db2.gz RJVKEFWGUPVASV-QWHCGFSZSA-N 2 2 280.368 0.777 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+]C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001245984047 807107231 /nfs/dbraw/zinc/10/72/31/807107231.db2.gz PQCVCBTXKDKPDV-BSWAZPDLSA-N 3 2 291.439 0.753 20 0 CCADLP O[C@@H](C[N@@H+]1CCC[C@]12CCC[NH2+]C2)CC1(O)CC[NH2+]CC1 ZINC001246028637 807125602 /nfs/dbraw/zinc/12/56/02/807125602.db2.gz KBWGSBOHEZIFBZ-CABCVRRESA-N 3 2 297.443 0.070 20 0 CCADLP O[C@@H](C[N@H+]1CCC[C@]12CCC[NH2+]C2)CC1(O)CC[NH2+]CC1 ZINC001246028637 807125606 /nfs/dbraw/zinc/12/56/06/807125606.db2.gz KBWGSBOHEZIFBZ-CABCVRRESA-N 3 2 297.443 0.070 20 0 CCADLP CC1(C[NH3+])C[NH+](C[C@@H](O)COCC(F)(F)C(F)F)C1 ZINC001246036072 807130651 /nfs/dbraw/zinc/13/06/51/807130651.db2.gz RQNSFRGTUJYGLW-MRVPVSSYSA-N 2 2 288.285 0.545 20 0 CCADLP [NH3+][C@]12CC[C@H]1C[N@H+](C[C@@H](O)COc1ccc(F)cc1)C2 ZINC001246047189 807133609 /nfs/dbraw/zinc/13/36/09/807133609.db2.gz QLGQFDQWDNDHRS-LNSITVRQSA-N 2 2 280.343 0.989 20 0 CCADLP [NH3+][C@]12CC[C@H]1C[N@@H+](C[C@@H](O)COc1ccc(F)cc1)C2 ZINC001246047189 807133613 /nfs/dbraw/zinc/13/36/13/807133613.db2.gz QLGQFDQWDNDHRS-LNSITVRQSA-N 2 2 280.343 0.989 20 0 CCADLP COCCc1ccc(OC[C@@H](O)C[N@H+](C)C[C@H](C)[NH3+])cc1 ZINC001246058692 807136442 /nfs/dbraw/zinc/13/64/42/807136442.db2.gz KWYCKASUNMPNFZ-ZFWWWQNUSA-N 2 2 296.411 0.894 20 0 CCADLP COCCc1ccc(OC[C@@H](O)C[N@@H+](C)C[C@H](C)[NH3+])cc1 ZINC001246058692 807136445 /nfs/dbraw/zinc/13/64/45/807136445.db2.gz KWYCKASUNMPNFZ-ZFWWWQNUSA-N 2 2 296.411 0.894 20 0 CCADLP F[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001246091226 807149254 /nfs/dbraw/zinc/14/92/54/807149254.db2.gz HCRMCSMIOWCTHW-KXNHARMFSA-N 2 2 268.340 0.446 20 0 CCADLP CCOC(=O)N1CC[C@@H]([NH2+][C@H]2CCCC[NH2+]C2)C1 ZINC001246092073 807151439 /nfs/dbraw/zinc/15/14/39/807151439.db2.gz RUFVEFJUMLZOFW-NWDGAFQWSA-N 2 2 255.362 0.949 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C[C@@H]1C(=O)OC ZINC001246109299 807155786 /nfs/dbraw/zinc/15/57/86/807155786.db2.gz ASYIVHWTULWBPP-NJMOYASZSA-N 2 2 298.383 0.315 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H](C)C[NH2+]2)CCN1 ZINC001246116749 807158066 /nfs/dbraw/zinc/15/80/66/807158066.db2.gz XSHNRQFUDVJQRT-RNJOBUHISA-N 2 2 269.389 0.258 20 0 CCADLP C[C@H]1CC[C@H]([NH2+][C@@H]2CCCN(C3COC3)C2)C[NH2+]1 ZINC001246223827 807191190 /nfs/dbraw/zinc/19/11/90/807191190.db2.gz VILHVGFZLFDIPY-RWMBFGLXSA-N 2 2 253.390 0.580 20 0 CCADLP CC(C)[NH+]1CCN(CC[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246241305 807196435 /nfs/dbraw/zinc/19/64/35/807196435.db2.gz ZGKYELYEYJZCSY-HUUCEWRRSA-N 3 2 268.449 0.743 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCc2cc(F)cc(F)c2C1 ZINC001246298397 807212616 /nfs/dbraw/zinc/21/26/16/807212616.db2.gz BCNNMCDXWQRFHO-ITDIGPHOSA-N 2 2 282.334 0.992 20 0 CCADLP CC(C)OC(=O)CC[C@@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1CO ZINC001246306818 807216824 /nfs/dbraw/zinc/21/68/24/807216824.db2.gz LOROLCSYVCWAQW-GRYCIOLGSA-N 2 2 258.362 0.277 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@@H]1[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001246312540 807217906 /nfs/dbraw/zinc/21/79/06/807217906.db2.gz XZLOGHZDMKIOJN-ZOWXZIJZSA-N 2 2 282.334 0.992 20 0 CCADLP CC[C@@]1(C(=O)OC)C[C@@H](N[C@@H]2CCC[NH2+][C@@H]2C)C[NH2+]1 ZINC001246329973 807224020 /nfs/dbraw/zinc/22/40/20/807224020.db2.gz TYCWZYTWTCXSPB-BYNQJWBRSA-N 2 2 269.389 0.400 20 0 CCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246334252 807225543 /nfs/dbraw/zinc/22/55/43/807225543.db2.gz PWMQURBUYVDGKM-GVXVVHGQSA-N 2 2 280.372 0.234 20 0 CCADLP O=C1C[C@@H]([NH2+]C2(c3ccc(F)cc3)CC[NH2+]CC2)CN1 ZINC001246337797 807226046 /nfs/dbraw/zinc/22/60/46/807226046.db2.gz VTYPWHIUWIFVRL-CYBMUJFWSA-N 2 2 277.343 0.883 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C[NH3+])C(C)(C)C)CN1 ZINC001246343712 807227760 /nfs/dbraw/zinc/22/77/60/807227760.db2.gz HFOZIHAWTIYVCK-DCAQKATOSA-N 2 2 257.378 0.243 20 0 CCADLP C(C1CCCC1)[N@@H+]1CC[C@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246361758 807233066 /nfs/dbraw/zinc/23/30/66/807233066.db2.gz NJVOHDHXLGAPSK-HOTGVXAUSA-N 3 2 292.471 0.935 20 0 CCADLP C(C1CCCC1)[N@H+]1CC[C@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246361758 807233072 /nfs/dbraw/zinc/23/30/72/807233072.db2.gz NJVOHDHXLGAPSK-HOTGVXAUSA-N 3 2 292.471 0.935 20 0 CCADLP COCC[NH+]1CCC([NH2+][C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246358375 807233893 /nfs/dbraw/zinc/23/38/93/807233893.db2.gz DTZCPDNTTLIPLT-GXTWGEPZSA-N 3 2 255.406 0.827 20 0 CCADLP COC(=O)[C@H](CCC[NH3+])[NH2+][C@H]1CC[C@@H](C(=O)OC)C1 ZINC001246401525 807243264 /nfs/dbraw/zinc/24/32/64/807243264.db2.gz MMQINBACSGMNAE-VWYCJHECSA-N 2 2 272.345 0.198 20 0 CCADLP [NH3+]CCNCC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246406826 807244690 /nfs/dbraw/zinc/24/46/90/807244690.db2.gz VDBCTODOHHYQQQ-HUUCEWRRSA-N 3 2 262.401 0.618 20 0 CCADLP CCOC(=O)[C@H](N)C[NH2+][C@H](C)CC[NH+](CC)CC ZINC001246414815 807247667 /nfs/dbraw/zinc/24/76/67/807247667.db2.gz CBKLJZOEVDLZMM-VXGBXAGGSA-N 2 2 259.394 0.587 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[NH2+]C(C)C)CN1 ZINC001246456132 807255019 /nfs/dbraw/zinc/25/50/19/807255019.db2.gz ZCOJHTOPDMJTEL-RYUDHWBXSA-N 2 2 257.378 0.258 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N[C@@H]2C[NH2+]CC[C@H]2F)C[NH2+]1 ZINC001246486189 807261998 /nfs/dbraw/zinc/26/19/98/807261998.db2.gz DLUBQNXMKMZBQN-WISYIIOYSA-N 2 2 287.379 0.348 20 0 CCADLP COc1ccc([C@H]2C[C@@H]([N@@H+]3C[C@@H]([NH3+])[C@H](O)C3)CCO2)cc1 ZINC001246558338 807288332 /nfs/dbraw/zinc/28/83/32/807288332.db2.gz QEVSOIXHXQKPQO-LCGIIJARSA-N 2 2 292.379 0.919 20 0 CCADLP COc1ccc([C@H]2C[C@@H]([N@H+]3C[C@@H]([NH3+])[C@H](O)C3)CCO2)cc1 ZINC001246558338 807288337 /nfs/dbraw/zinc/28/83/37/807288337.db2.gz QEVSOIXHXQKPQO-LCGIIJARSA-N 2 2 292.379 0.919 20 0 CCADLP CCOC(=O)[C@H]1CC[C@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CO1 ZINC001246633756 807336087 /nfs/dbraw/zinc/33/60/87/807336087.db2.gz MDNKWMFBVMOKSQ-WUHRBBMRSA-N 2 2 268.357 0.533 20 0 CCADLP CCOC(=O)[C@H]1CC[C@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CO1 ZINC001246633756 807336093 /nfs/dbraw/zinc/33/60/93/807336093.db2.gz MDNKWMFBVMOKSQ-WUHRBBMRSA-N 2 2 268.357 0.533 20 0 CCADLP CCOC(=O)[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)CCN1 ZINC001246640374 807339634 /nfs/dbraw/zinc/33/96/34/807339634.db2.gz TXXKZGSJLYZJOP-QNWHQSFQSA-N 2 2 267.373 0.106 20 0 CCADLP CCOC(=O)[C@@H]1C[C@@H]([N@H+]2CC[C@H]3[NH2+]CC[C@H]32)CCN1 ZINC001246640374 807339642 /nfs/dbraw/zinc/33/96/42/807339642.db2.gz TXXKZGSJLYZJOP-QNWHQSFQSA-N 2 2 267.373 0.106 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC23CC[NH2+]CC3)CN1 ZINC001246644179 807345047 /nfs/dbraw/zinc/34/50/47/807345047.db2.gz WWOFLQDVJQBPTL-RYUDHWBXSA-N 2 2 267.373 0.108 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@H+]2CCC23CC[NH2+]CC3)CN1 ZINC001246644179 807345054 /nfs/dbraw/zinc/34/50/54/807345054.db2.gz WWOFLQDVJQBPTL-RYUDHWBXSA-N 2 2 267.373 0.108 20 0 CCADLP C1[C@@H]2C[NH2+]C[C@@]3(CC[N@@H+]([C@H]4CCC[NH2+]C4)C[C@@H]13)O2 ZINC001246687160 807356883 /nfs/dbraw/zinc/35/68/83/807356883.db2.gz VLTUKFNMWOMYNL-XJFOESAGSA-N 3 2 251.374 0.191 20 0 CCADLP C1[C@@H]2C[NH2+]C[C@@]3(CC[N@H+]([C@H]4CCC[NH2+]C4)C[C@@H]13)O2 ZINC001246687160 807356893 /nfs/dbraw/zinc/35/68/93/807356893.db2.gz VLTUKFNMWOMYNL-XJFOESAGSA-N 3 2 251.374 0.191 20 0 CCADLP CCCC[C@@H]1C[C@@H]([N@@H+]2CCN[C@@H](C(=O)OC)C2)CC[NH2+]1 ZINC001246693269 807356954 /nfs/dbraw/zinc/35/69/54/807356954.db2.gz HRKOCSKSWYXCRM-HZSPNIEDSA-N 2 2 283.416 0.744 20 0 CCADLP CCCC[C@@H]1C[C@@H]([N@H+]2CCN[C@@H](C(=O)OC)C2)CC[NH2+]1 ZINC001246693269 807356965 /nfs/dbraw/zinc/35/69/65/807356965.db2.gz HRKOCSKSWYXCRM-HZSPNIEDSA-N 2 2 283.416 0.744 20 0 CCADLP Cc1noc([C@]23COC[C@H]2C[N@@H+]([C@H]2CCC[NH2+]C2)C3)n1 ZINC001246725737 807366780 /nfs/dbraw/zinc/36/67/80/807366780.db2.gz MVVVFTGORRZXEU-MBNYWOFBSA-N 2 2 278.356 0.330 20 0 CCADLP Cc1noc([C@]23COC[C@H]2C[N@H+]([C@H]2CCC[NH2+]C2)C3)n1 ZINC001246725737 807366788 /nfs/dbraw/zinc/36/67/88/807366788.db2.gz MVVVFTGORRZXEU-MBNYWOFBSA-N 2 2 278.356 0.330 20 0 CCADLP C[C@H]1C[C@@H]([N@H+](C)CCN2CC[NH+](C)CC2)CC[NH2+]1 ZINC001246848989 807405771 /nfs/dbraw/zinc/40/57/71/807405771.db2.gz PGIVILWKMQVLSM-KBPBESRZSA-N 3 2 254.422 0.306 20 0 CCADLP C[C@H]1C[C@@H]([N@@H+](C)CCN2CC[NH+](C)CC2)CC[NH2+]1 ZINC001246848989 807405773 /nfs/dbraw/zinc/40/57/73/807405773.db2.gz PGIVILWKMQVLSM-KBPBESRZSA-N 3 2 254.422 0.306 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCN(c3ccncn3)CC2)CC[NH2+]1 ZINC001246865351 807413739 /nfs/dbraw/zinc/41/37/39/807413739.db2.gz SZIXKAHIISBIKF-CHWSQXEVSA-N 2 2 261.373 0.739 20 0 CCADLP C1[C@@H]2C[NH2+]C[C@@H]2[N@@H+]1C1CCC2(CC1)C[NH2+]CCO2 ZINC001246923265 807429329 /nfs/dbraw/zinc/42/93/29/807429329.db2.gz XLHCRLHMZSWMIO-AHPWVWPOSA-N 3 2 251.374 0.191 20 0 CCADLP C1[C@@H]2C[NH2+]C[C@@H]2[N@H+]1C1CCC2(CC1)C[NH2+]CCO2 ZINC001246923265 807429332 /nfs/dbraw/zinc/42/93/32/807429332.db2.gz XLHCRLHMZSWMIO-AHPWVWPOSA-N 3 2 251.374 0.191 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C[C@H]1[NH3+] ZINC001246929981 807431195 /nfs/dbraw/zinc/43/11/95/807431195.db2.gz JBZGWLKLIRIPQS-BHPKHCPMSA-N 3 2 281.400 0.341 20 0 CCADLP COC(=O)[C@@H]1C[N@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C[C@H]1[NH3+] ZINC001246929981 807431200 /nfs/dbraw/zinc/43/12/00/807431200.db2.gz JBZGWLKLIRIPQS-BHPKHCPMSA-N 3 2 281.400 0.341 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](C2CCC3(CC[NH2+]C3)CC2)C[C@H]1[NH3+] ZINC001246930616 807431968 /nfs/dbraw/zinc/43/19/68/807431968.db2.gz LLFOWANYRFRCGQ-SBEAFCBVSA-N 3 2 281.400 0.341 20 0 CCADLP COC(=O)[C@H]1C[N@H+](C2CCC3(CC[NH2+]C3)CC2)C[C@H]1[NH3+] ZINC001246930616 807431974 /nfs/dbraw/zinc/43/19/74/807431974.db2.gz LLFOWANYRFRCGQ-SBEAFCBVSA-N 3 2 281.400 0.341 20 0 CCADLP C[NH+]1CCN(c2cccc3[nH+]c(CCO)[nH]c32)CC1 ZINC001247015008 807452675 /nfs/dbraw/zinc/45/26/75/807452675.db2.gz POOHUSYKSVEQTK-UHFFFAOYSA-N 2 2 260.341 0.850 20 0 CCADLP C1[NH2+]CC12C[C@@H]([N@@H+]1CC[C@H]3[NH2+]CCC[C@H]3C1)CCN2 ZINC001247016361 807453397 /nfs/dbraw/zinc/45/33/97/807453397.db2.gz UHDAXQCWRSNJDS-MELADBBJSA-N 3 2 264.417 0.154 20 0 CCADLP C1[NH2+]CC12C[C@@H]([N@H+]1CC[C@H]3[NH2+]CCC[C@H]3C1)CCN2 ZINC001247016361 807453398 /nfs/dbraw/zinc/45/33/98/807453398.db2.gz UHDAXQCWRSNJDS-MELADBBJSA-N 3 2 264.417 0.154 20 0 CCADLP [NH3+]C[C@H]([NH3+])Cc1nc(-c2ncccc2C(F)(F)F)no1 ZINC001249129669 807544361 /nfs/dbraw/zinc/54/43/61/807544361.db2.gz ZKWVRUWXYCGDKT-ZCFIWIBFSA-N 2 2 287.245 0.979 20 0 CCADLP [NH3+]C[C@H]([NH3+])Cc1nc(-c2cnccc2C(F)(F)F)no1 ZINC001249130191 807544430 /nfs/dbraw/zinc/54/44/30/807544430.db2.gz XCYCFIUSPGPDQF-ZCFIWIBFSA-N 2 2 287.245 0.979 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](C[C@@H](O)C(F)(F)F)CCC1=O ZINC001250973291 807627416 /nfs/dbraw/zinc/62/74/16/807627416.db2.gz ATYKOABLCJSIQV-SNVBAGLBSA-N 2 2 297.321 0.006 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](C[C@@H](O)C(F)(F)F)CCC1=O ZINC001250973291 807627419 /nfs/dbraw/zinc/62/74/19/807627419.db2.gz ATYKOABLCJSIQV-SNVBAGLBSA-N 2 2 297.321 0.006 20 0 CCADLP CC(=O)Nc1cc(NC[C@@H](O)C[NH+]2CCOCC2)cc[nH+]1 ZINC001251007315 807638012 /nfs/dbraw/zinc/63/80/12/807638012.db2.gz UYIMSOCVFFVASG-CYBMUJFWSA-N 2 2 294.355 0.145 20 0 CCADLP CCN(CC[NH+](CC)CC)C[C@H](O)C[NH+]1CCOCC1 ZINC001251015946 807641319 /nfs/dbraw/zinc/64/13/19/807641319.db2.gz PCJKHLKJTCGINV-HNNXBMFYSA-N 2 2 287.448 0.343 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCOC1CCC1 ZINC001038116763 815148457 /nfs/dbraw/zinc/14/84/57/815148457.db2.gz MLTXORPWHFWDSR-UKRRQHHQSA-N 2 2 295.427 0.840 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCOC1CCC1 ZINC001038116763 815148461 /nfs/dbraw/zinc/14/84/61/815148461.db2.gz MLTXORPWHFWDSR-UKRRQHHQSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCOC1CCC1 ZINC001038116763 815148466 /nfs/dbraw/zinc/14/84/66/815148466.db2.gz MLTXORPWHFWDSR-UKRRQHHQSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCOC1CCC1 ZINC001038116763 815148470 /nfs/dbraw/zinc/14/84/70/815148470.db2.gz MLTXORPWHFWDSR-UKRRQHHQSA-N 2 2 295.427 0.840 20 0 CCADLP CC(C)OC[C@H](O)C[NH2+]CCOc1cc[nH+]cc1 ZINC001252700379 807946954 /nfs/dbraw/zinc/94/69/54/807946954.db2.gz PNOSSAYCSOGHPS-GFCCVEGCSA-N 2 2 254.330 0.836 20 0 CCADLP CCC[C@@H](O)C[NH+]1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001252780095 807956234 /nfs/dbraw/zinc/95/62/34/807956234.db2.gz MRNKDPAFCCNDRH-CQSZACIVSA-N 2 2 297.443 0.824 20 0 CCADLP CCC[C@@H](O)C[NH+]1CCC2(CCC[N@H+]2CC(=O)NC)CC1 ZINC001252780095 807956239 /nfs/dbraw/zinc/95/62/39/807956239.db2.gz MRNKDPAFCCNDRH-CQSZACIVSA-N 2 2 297.443 0.824 20 0 CCADLP O[C@@]1(C[NH+]2CC3(COC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001252917743 807986134 /nfs/dbraw/zinc/98/61/34/807986134.db2.gz XOKRXQMXCCXMIN-KRWDZBQOSA-N 2 2 288.391 0.956 20 0 CCADLP O[C@@]1(C[NH+]2CC3(COC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252917743 807986136 /nfs/dbraw/zinc/98/61/36/807986136.db2.gz XOKRXQMXCCXMIN-KRWDZBQOSA-N 2 2 288.391 0.956 20 0 CCADLP O=C1C[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CN1 ZINC001252948271 807987631 /nfs/dbraw/zinc/98/76/31/807987631.db2.gz LSUIKTJPZJASQA-ZBFHGGJFSA-N 2 2 289.379 0.102 20 0 CCADLP O=C1C[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CN1 ZINC001252948271 807987634 /nfs/dbraw/zinc/98/76/34/807987634.db2.gz LSUIKTJPZJASQA-ZBFHGGJFSA-N 2 2 289.379 0.102 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH+]1CCC2(CNC(=O)O2)CC1 ZINC001253187392 808023026 /nfs/dbraw/zinc/02/30/26/808023026.db2.gz DHKLORLZZVEGPW-LBPRGKRZSA-N 2 2 285.388 0.264 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH+]1CCC(N(C)C(C)=O)CC1 ZINC001253191607 808024303 /nfs/dbraw/zinc/02/43/03/808024303.db2.gz AWCSNNPBIJEFAD-HNNXBMFYSA-N 2 2 285.432 0.632 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH+]1CCC(N2CCCC2=O)CC1 ZINC001253196621 808028441 /nfs/dbraw/zinc/02/84/41/808028441.db2.gz VFWFWUFAIQYPGZ-HNNXBMFYSA-N 2 2 297.443 0.776 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])NC[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC001253375750 808051032 /nfs/dbraw/zinc/05/10/32/808051032.db2.gz VBCOUBQVMIWKAR-ZDUSSCGKSA-N 2 2 298.337 0.770 20 0 CCADLP CCC[NH+]1C[C@@H]2C[NH+](C[C@@H](O)C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001253689110 808117579 /nfs/dbraw/zinc/11/75/79/808117579.db2.gz QDFKKMRLFQNNCF-MGPQQGTHSA-N 2 2 298.427 0.963 20 0 CCADLP CC(C)(C)OC(=O)[C@H](O)C[NH2+]CCc1[nH]cc[nH+]1 ZINC001253699314 808120022 /nfs/dbraw/zinc/12/00/22/808120022.db2.gz KIBHZYIPQZLSGO-SECBINFHSA-N 2 2 255.318 0.244 20 0 CCADLP CCOC(=O)CN1CCC([NH2+]CCn2cc[nH+]c2)CC1 ZINC001254391157 808230604 /nfs/dbraw/zinc/23/06/04/808230604.db2.gz PARJTCQZXXDABN-UHFFFAOYSA-N 2 2 280.372 0.500 20 0 CCADLP CCOC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2CCC[N@H+](C)CC2)cn1 ZINC001254515325 808251228 /nfs/dbraw/zinc/25/12/28/808251228.db2.gz VXRUBXBNKAWZGN-KGLIPLIRSA-N 2 2 294.399 0.973 20 0 CCADLP CCOC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2CCC[N@@H+](C)CC2)cn1 ZINC001254515325 808251232 /nfs/dbraw/zinc/25/12/32/808251232.db2.gz VXRUBXBNKAWZGN-KGLIPLIRSA-N 2 2 294.399 0.973 20 0 CCADLP COC(=O)CN1CC[NH+]([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254522027 808253912 /nfs/dbraw/zinc/25/39/12/808253912.db2.gz AXVKOSOILZYESX-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP COC(=O)CN1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254522027 808253918 /nfs/dbraw/zinc/25/39/18/808253918.db2.gz AXVKOSOILZYESX-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP O=C1CCC[C@H]([NH2+][C@@H]2CC3CC[NH+](CC3)C2)CN1 ZINC001254840509 808284967 /nfs/dbraw/zinc/28/49/67/808284967.db2.gz HZHZKYIAMJYDJE-QWHCGFSZSA-N 2 2 251.374 0.729 20 0 CCADLP C[N@@H+]1CCCN(CC[NH2+][C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254841659 808285679 /nfs/dbraw/zinc/28/56/79/808285679.db2.gz ZCYHNKGKNGGFSF-INIZCTEOSA-N 3 2 280.460 0.698 20 0 CCADLP C[N@H+]1CCCN(CC[NH2+][C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254841659 808285687 /nfs/dbraw/zinc/28/56/87/808285687.db2.gz ZCYHNKGKNGGFSF-INIZCTEOSA-N 3 2 280.460 0.698 20 0 CCADLP [NH3+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1CCOCC1 ZINC001255035523 808309830 /nfs/dbraw/zinc/30/98/30/808309830.db2.gz HLHLWCYXNGCYNO-HOTGVXAUSA-N 2 2 275.396 0.967 20 0 CCADLP CCOC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2COC[C@H]2[NH3+])C1 ZINC001255336429 808346024 /nfs/dbraw/zinc/34/60/24/808346024.db2.gz BQTDTEDBITTYLO-WRWGMCAJSA-N 2 2 256.346 0.424 20 0 CCADLP NC(=O)[C@@H](CO)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255392662 808351473 /nfs/dbraw/zinc/35/14/73/808351473.db2.gz HLWAWWPDBKFONX-HUUCEWRRSA-N 2 2 291.395 0.477 20 0 CCADLP NC(=O)[C@@H](CO)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255392662 808351480 /nfs/dbraw/zinc/35/14/80/808351480.db2.gz HLWAWWPDBKFONX-HUUCEWRRSA-N 2 2 291.395 0.477 20 0 CCADLP NC(=O)[C@@H](CO)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255392663 808352125 /nfs/dbraw/zinc/35/21/25/808352125.db2.gz HLWAWWPDBKFONX-LSDHHAIUSA-N 2 2 291.395 0.477 20 0 CCADLP NC(=O)[C@@H](CO)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255392663 808352132 /nfs/dbraw/zinc/35/21/32/808352132.db2.gz HLWAWWPDBKFONX-LSDHHAIUSA-N 2 2 291.395 0.477 20 0 CCADLP CN1CCC[C@H]([NH+]2CCC(N3CC[NH+](C)CC3)CC2)C1 ZINC001255485931 808388362 /nfs/dbraw/zinc/38/83/62/808388362.db2.gz IFZWNLFTORVUCD-INIZCTEOSA-N 2 2 280.460 0.792 20 0 CCADLP CCOC(=O)N1CC[C@@H]([NH2+]C2(CO)CC[NH+](C)CC2)C1 ZINC001256027042 808453106 /nfs/dbraw/zinc/45/31/06/808453106.db2.gz LDXMWFFROGNFOX-GFCCVEGCSA-N 2 2 285.388 0.264 20 0 CCADLP COC(=O)CC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C(N)=O ZINC001256566665 808534307 /nfs/dbraw/zinc/53/43/07/808534307.db2.gz KKVHGUNDCWCDDY-LBPRGKRZSA-N 2 2 299.415 0.646 20 0 CCADLP CC(=O)[C@H]1C[N@H+](C2CCC([NH+]3CCOCC3)CC2)CCO1 ZINC001256700437 808552824 /nfs/dbraw/zinc/55/28/24/808552824.db2.gz XCXKOZCTOKWITQ-UYSNPLJNSA-N 2 2 296.411 0.920 20 0 CCADLP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@@H](C)Cc1ccncc1 ZINC001256721907 808554476 /nfs/dbraw/zinc/55/44/76/808554476.db2.gz YOBRIHQLHVWQGN-WCQYABFASA-N 2 2 265.357 0.883 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC001262094388 809189019 /nfs/dbraw/zinc/18/90/19/809189019.db2.gz HOSQCPVOJQGXRV-LLVKDONJSA-N 2 2 265.361 0.833 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC001076295785 815273510 /nfs/dbraw/zinc/27/35/10/815273510.db2.gz YEESIJRILWHBPP-GXTWGEPZSA-N 2 2 274.368 0.895 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC001076295785 815273516 /nfs/dbraw/zinc/27/35/16/815273516.db2.gz YEESIJRILWHBPP-GXTWGEPZSA-N 2 2 274.368 0.895 20 0 CCADLP CO[C@@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076295223 815274458 /nfs/dbraw/zinc/27/44/58/815274458.db2.gz FUPWIJVSQFGJRE-SGMGOOAPSA-N 2 2 292.383 0.520 20 0 CCADLP CO[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076295223 815274465 /nfs/dbraw/zinc/27/44/65/815274465.db2.gz FUPWIJVSQFGJRE-SGMGOOAPSA-N 2 2 292.383 0.520 20 0 CCADLP Cc1cc(NCC[N@H+]2CCOC[C@@H]2C)nc(N)[nH+]1 ZINC001262353112 809289409 /nfs/dbraw/zinc/28/94/09/809289409.db2.gz IDLUHWKEKYMTBI-JTQLQIEISA-N 2 2 251.334 0.500 20 0 CCADLP CN(C(=O)NCCCn1cc[nH+]c1)C1(C[NH3+])CCOCC1 ZINC001262559704 809342309 /nfs/dbraw/zinc/34/23/09/809342309.db2.gz UHVDKHSUQUXULD-UHFFFAOYSA-N 2 2 295.387 0.423 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)C23CCC(CC2)[NH2+]3)CC1 ZINC001263094641 809440448 /nfs/dbraw/zinc/44/04/48/809440448.db2.gz NCLABTNORJPVDL-UHFFFAOYSA-N 2 2 281.400 0.452 20 0 CCADLP [NH3+][C@H](CC(=O)NCc1ccc2c(c1)C[NH2+]C2)C(F)F ZINC001263105872 809447638 /nfs/dbraw/zinc/44/76/38/809447638.db2.gz BFYMBWLOLUJAOT-LLVKDONJSA-N 2 2 269.295 0.889 20 0 CCADLP C[NH2+]CCOCCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001263166534 809467431 /nfs/dbraw/zinc/46/74/31/809467431.db2.gz KDYPGOVNNXNNKU-LBPRGKRZSA-N 2 2 280.372 0.140 20 0 CCADLP C[NH2+]CCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001263199178 809479163 /nfs/dbraw/zinc/47/91/63/809479163.db2.gz YQSUSEXQWVDRER-LBPRGKRZSA-N 2 2 264.373 0.902 20 0 CCADLP Cc1ccccc1OC[C@@H](O)C[NH2+]CC1C[NH+](C)C1 ZINC000379473114 809513208 /nfs/dbraw/zinc/51/32/08/809513208.db2.gz KZXXIVMBIYBZNM-AWEZNQCLSA-N 2 2 264.369 0.886 20 0 CCADLP COCC[NH2+][C@H]1C[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001264435409 809657381 /nfs/dbraw/zinc/65/73/81/809657381.db2.gz IQIBYGVCALLGJX-XYPYZODXSA-N 2 2 266.345 0.083 20 0 CCADLP CC[N@H+](CCF)CCCNC(=O)Cn1cc[nH+]c1 ZINC001265147906 809715729 /nfs/dbraw/zinc/71/57/29/809715729.db2.gz OHNKIMIJSOPFMC-UHFFFAOYSA-N 2 2 256.325 0.681 20 0 CCADLP CC[N@@H+](CCF)CCCNC(=O)Cn1cc[nH+]c1 ZINC001265147906 809715733 /nfs/dbraw/zinc/71/57/33/809715733.db2.gz OHNKIMIJSOPFMC-UHFFFAOYSA-N 2 2 256.325 0.681 20 0 CCADLP CCCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001265558904 809804764 /nfs/dbraw/zinc/80/47/64/809804764.db2.gz BYSFISRWYXYIGE-PHIMTYICSA-N 2 2 250.346 0.989 20 0 CCADLP C[C@@H](CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]CCO ZINC001266178882 809955687 /nfs/dbraw/zinc/95/56/87/809955687.db2.gz OJXRIOJWSBCORB-QWRGUYRKSA-N 2 2 268.361 0.065 20 0 CCADLP C[C@@H](CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]CCO ZINC001266178882 809955692 /nfs/dbraw/zinc/95/56/92/809955692.db2.gz OJXRIOJWSBCORB-QWRGUYRKSA-N 2 2 268.361 0.065 20 0 CCADLP C[NH+]1CC(C[NH2+]C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000705030806 809964794 /nfs/dbraw/zinc/96/47/94/809964794.db2.gz XFDAWKWFYNRMLQ-OAHLLOKOSA-N 2 2 299.415 0.510 20 0 CCADLP CCC[NH2+]CCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001267392905 811282886 /nfs/dbraw/zinc/28/28/86/811282886.db2.gz LQVUTGVBLHAWMF-GFCCVEGCSA-N 2 2 264.373 0.904 20 0 CCADLP Cc1nonc1C[NH2+]CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001267429023 811299643 /nfs/dbraw/zinc/29/96/43/811299643.db2.gz LFAJCMYUFXAQIR-NSHDSACASA-N 2 2 295.387 0.268 20 0 CCADLP Cc1nonc1C[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001267429023 811299651 /nfs/dbraw/zinc/29/96/51/811299651.db2.gz LFAJCMYUFXAQIR-NSHDSACASA-N 2 2 295.387 0.268 20 0 CCADLP C[C@@H](CC(=O)N(C)CC[NH2+]CCCO)n1cc[nH+]c1 ZINC001267433556 811302188 /nfs/dbraw/zinc/30/21/88/811302188.db2.gz JTKKAHYVABILCD-LBPRGKRZSA-N 2 2 268.361 0.265 20 0 CCADLP O=S1(=O)CCCC[C@@H]1C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000694523824 811468465 /nfs/dbraw/zinc/46/84/65/811468465.db2.gz NCCNEUFRYCYTIW-VPCRRHSYSA-N 2 2 284.425 0.540 20 0 CCADLP FC1(F)C[NH2+]C[C@H]1Oc1ccc2c(n1)CC[NH2+]CC2 ZINC001218230628 811471702 /nfs/dbraw/zinc/47/17/02/811471702.db2.gz BVXPBRZVMWICNX-LLVKDONJSA-N 2 2 269.295 0.756 20 0 CCADLP C[NH2+]CCNc1nc(N2CCC(C[NH3+])CC2)[nH+]cc1C ZINC001167721877 811654755 /nfs/dbraw/zinc/65/47/55/811654755.db2.gz RVUNTZXZZIHBRD-UHFFFAOYSA-N 3 2 278.404 0.591 20 0 CCADLP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CCOC ZINC001267823215 811816974 /nfs/dbraw/zinc/81/69/74/811816974.db2.gz DQXKAPKGJVMNEB-JTQLQIEISA-N 2 2 254.334 0.083 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccnc(-n2cncn2)c1 ZINC000925725497 812010961 /nfs/dbraw/zinc/01/09/61/812010961.db2.gz LGRVLKKWUMLHST-WCQYABFASA-N 2 2 272.356 0.892 20 0 CCADLP CCN1CCC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1=O ZINC000722346156 812128224 /nfs/dbraw/zinc/12/82/24/812128224.db2.gz OHFMBOCLJMZZOU-QWHCGFSZSA-N 2 2 269.389 0.044 20 0 CCADLP COCC[NH2+]C[C@@H](C)N(C)C(=O)CCc1[nH+]ccn1C ZINC001268076620 812189646 /nfs/dbraw/zinc/18/96/46/812189646.db2.gz RSWQLDVSCPVMAF-GFCCVEGCSA-N 2 2 282.388 0.436 20 0 CCADLP C[C@@H](CC[NH2+]CC1CCOCC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001268412341 812555677 /nfs/dbraw/zinc/55/56/77/812555677.db2.gz YKAVPFYQXFFZGS-LBPRGKRZSA-N 2 2 294.399 0.863 20 0 CCADLP COc1nccc(-c2noc([C@H]3C[NH2+]C[C@@H]3[NH3+])n2)c1F ZINC001211757471 812683116 /nfs/dbraw/zinc/68/31/16/812683116.db2.gz AMALYFRALIDAMY-YUMQZZPRSA-N 2 2 279.275 0.293 20 0 CCADLP COc1ncc(Cl)cc1-c1noc([C@H]2C[NH2+]C[C@@H]2[NH3+])n1 ZINC001211757613 812687849 /nfs/dbraw/zinc/68/78/49/812687849.db2.gz HWGHLYUIZLRZSF-IUCAKERBSA-N 2 2 295.730 0.808 20 0 CCADLP COC[C@@H](C)[NH2+]C/C=C\CNC(=O)Cn1cc[nH+]c1 ZINC001268632295 812955830 /nfs/dbraw/zinc/95/58/30/812955830.db2.gz GEPLKOHACPXPAV-VSQXVHSFSA-N 2 2 266.345 0.180 20 0 CCADLP C[C@H](O)C[NH2+]CCCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001268808778 813098179 /nfs/dbraw/zinc/09/81/79/813098179.db2.gz ONPQUVYFKAJDPZ-LBPRGKRZSA-N 2 2 290.367 0.767 20 0 CCADLP CCOCCC[NH+]1CC(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001268896023 813137360 /nfs/dbraw/zinc/13/73/60/813137360.db2.gz HXYOULMELCOJHM-UHFFFAOYSA-N 2 2 294.399 0.437 20 0 CCADLP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]C[C@@H](C)OC ZINC001269477969 813384423 /nfs/dbraw/zinc/38/44/23/813384423.db2.gz XLHHVBZPUHGUSL-MNOVXSKESA-N 2 2 268.361 0.472 20 0 CCADLP CCc1nocc1C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126436964 813584039 /nfs/dbraw/zinc/58/40/39/813584039.db2.gz PELHOPJYXJLDPL-UHFFFAOYSA-N 2 2 291.355 0.799 20 0 CCADLP C[C@@H](O)CCC[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126442350 813597900 /nfs/dbraw/zinc/59/79/00/813597900.db2.gz MZHBGCOFGOWDKH-LLVKDONJSA-N 2 2 268.361 0.209 20 0 CCADLP C[NH+]1CC2(C1)CCN(C(=O)CCn1cc[nH+]c1)CC2 ZINC001270191775 813670599 /nfs/dbraw/zinc/67/05/99/813670599.db2.gz BFFOKVIVNOLMBI-UHFFFAOYSA-N 2 2 262.357 0.827 20 0 CCADLP C[N@@H+]1CCC2(CN(C(=O)C3CN(c4cccc[nH+]4)C3)C2)C1 ZINC001270466360 813775371 /nfs/dbraw/zinc/77/53/71/813775371.db2.gz WJHHNTZWJZQQNQ-UHFFFAOYSA-N 2 2 286.379 0.682 20 0 CCADLP C[N@H+]1CCC2(CN(C(=O)C3CN(c4cccc[nH+]4)C3)C2)C1 ZINC001270466360 813775377 /nfs/dbraw/zinc/77/53/77/813775377.db2.gz WJHHNTZWJZQQNQ-UHFFFAOYSA-N 2 2 286.379 0.682 20 0 CCADLP C[NH+]1CC2(C1)CCCN(C(=O)[C@@H]1CCc3[nH+]ccn3C1)C2 ZINC001270509971 813791550 /nfs/dbraw/zinc/79/15/50/813791550.db2.gz DEJWSCLVVREZPW-CYBMUJFWSA-N 2 2 288.395 1.000 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+]C[C@H](C)O ZINC001167977276 813882137 /nfs/dbraw/zinc/88/21/37/813882137.db2.gz HRCXTVJZNCVVDS-MNOVXSKESA-N 2 2 268.361 0.065 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+]C[C@H](C)O ZINC001167977276 813882146 /nfs/dbraw/zinc/88/21/46/813882146.db2.gz HRCXTVJZNCVVDS-MNOVXSKESA-N 2 2 268.361 0.065 20 0 CCADLP C[C@@H](O)CCC[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001167978275 813883782 /nfs/dbraw/zinc/88/37/82/813883782.db2.gz LFPJVDPZXMLHPF-CHWSQXEVSA-N 2 2 296.415 0.845 20 0 CCADLP C[C@@H](O)CCC[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001167978275 813883790 /nfs/dbraw/zinc/88/37/90/813883790.db2.gz LFPJVDPZXMLHPF-CHWSQXEVSA-N 2 2 296.415 0.845 20 0 CCADLP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001029310014 814064379 /nfs/dbraw/zinc/06/43/79/814064379.db2.gz YNTLIQFHOIWYQG-QLFBSQMISA-N 2 2 295.402 0.973 20 0 CCADLP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001029310014 814064384 /nfs/dbraw/zinc/06/43/84/814064384.db2.gz YNTLIQFHOIWYQG-QLFBSQMISA-N 2 2 295.402 0.973 20 0 CCADLP C[C@H]1NC=C2C(=O)OCCC2=C1C[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001204764365 814168809 /nfs/dbraw/zinc/16/88/09/814168809.db2.gz XXXNBNAORSRMQG-BMIGLBTASA-N 2 2 277.368 0.529 20 0 CCADLP C[C@H]1NC=C2C(=O)OCCC2=C1C[N@H+]1CC[C@](C)([NH3+])C1 ZINC001204764365 814168812 /nfs/dbraw/zinc/16/88/12/814168812.db2.gz XXXNBNAORSRMQG-BMIGLBTASA-N 2 2 277.368 0.529 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)NC2C[NH+](CCC3CCCC3)C2)C1 ZINC001030180568 815871823 /nfs/dbraw/zinc/87/18/23/815871823.db2.gz SFWZXAFJVBCLOM-HNNXBMFYSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)NC2C[NH+](CCC3CCCC3)C2)C1 ZINC001030180568 815871829 /nfs/dbraw/zinc/87/18/29/815871829.db2.gz SFWZXAFJVBCLOM-HNNXBMFYSA-N 2 2 295.427 0.698 20 0 CCADLP CC[C@H](C)C[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001030180561 815871926 /nfs/dbraw/zinc/87/19/26/815871926.db2.gz SCEMRAZQHFOOJB-AAEUAGOBSA-N 2 2 269.389 0.164 20 0 CCADLP CC[C@H](C)C[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001030180561 815871933 /nfs/dbraw/zinc/87/19/33/815871933.db2.gz SCEMRAZQHFOOJB-AAEUAGOBSA-N 2 2 269.389 0.164 20 0 CCADLP O=C(NC1C[NH+](CCCO)C1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001030520689 816083004 /nfs/dbraw/zinc/08/30/04/816083004.db2.gz ZTAMHPISCUCOPC-UONOGXRCSA-N 2 2 281.400 0.186 20 0 CCADLP O=C(NC1C[NH+](CCCO)C1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001030520689 816083008 /nfs/dbraw/zinc/08/30/08/816083008.db2.gz ZTAMHPISCUCOPC-UONOGXRCSA-N 2 2 281.400 0.186 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](C[C@@H]2CCOC2)C1 ZINC001030533572 816091209 /nfs/dbraw/zinc/09/12/09/816091209.db2.gz RGJRPUWHGWJTOO-JSGCOSHPSA-N 2 2 281.400 0.308 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](C[C@@H]2CCOC2)C1 ZINC001030533572 816091216 /nfs/dbraw/zinc/09/12/16/816091216.db2.gz RGJRPUWHGWJTOO-JSGCOSHPSA-N 2 2 281.400 0.308 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](C[C@H]2CCOC2)C1 ZINC001030533574 816092351 /nfs/dbraw/zinc/09/23/51/816092351.db2.gz RGJRPUWHGWJTOO-TZMCWYRMSA-N 2 2 281.400 0.308 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](C[C@H]2CCOC2)C1 ZINC001030533574 816092358 /nfs/dbraw/zinc/09/23/58/816092358.db2.gz RGJRPUWHGWJTOO-TZMCWYRMSA-N 2 2 281.400 0.308 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001030594865 816132756 /nfs/dbraw/zinc/13/27/56/816132756.db2.gz SNOGJKLTRMLNGK-OCCSQVGLSA-N 2 2 283.416 0.288 20 0 CCADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001030594865 816132758 /nfs/dbraw/zinc/13/27/58/816132758.db2.gz SNOGJKLTRMLNGK-OCCSQVGLSA-N 2 2 283.416 0.288 20 0 CCADLP CC[C@@H](C[NH+]1CC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1)OC ZINC001030961977 816507615 /nfs/dbraw/zinc/50/76/15/816507615.db2.gz HXSXZIXGIIDPLQ-OCCSQVGLSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@@H](C[NH+]1CC(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1)OC ZINC001030961977 816507620 /nfs/dbraw/zinc/50/76/20/816507620.db2.gz HXSXZIXGIIDPLQ-OCCSQVGLSA-N 2 2 283.416 0.554 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001031188447 816766713 /nfs/dbraw/zinc/76/67/13/816766713.db2.gz MTAAXQIDBXHQBE-ZDUSSCGKSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@H](CC(=O)N1C[C@@H](C[NH2+]CCO)[C@H](C)C1)n1cc[nH+]c1 ZINC001106710861 816860957 /nfs/dbraw/zinc/86/09/57/816860957.db2.gz ZGWLZGMJIAFQEU-MGPQQGTHSA-N 2 2 294.399 0.511 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC1(C[NH2+]CCF)CC1 ZINC001168498975 816888758 /nfs/dbraw/zinc/88/87/58/816888758.db2.gz CWFDNHCIFKFMTQ-UHFFFAOYSA-N 2 2 268.336 0.729 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001106801061 816922454 /nfs/dbraw/zinc/92/24/54/816922454.db2.gz VCGNHGJQVAYVAK-GRYCIOLGSA-N 2 2 280.372 0.017 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001031439748 817057378 /nfs/dbraw/zinc/05/73/78/817057378.db2.gz JXAWXXYKMQOHIR-ZDUSSCGKSA-N 2 2 269.389 0.044 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001031439748 817057385 /nfs/dbraw/zinc/05/73/85/817057385.db2.gz JXAWXXYKMQOHIR-ZDUSSCGKSA-N 2 2 269.389 0.044 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cncs2)C1 ZINC001031585145 817164217 /nfs/dbraw/zinc/16/42/17/817164217.db2.gz QSDLONXDOQDXFR-ZDUSSCGKSA-N 2 2 294.424 0.785 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2cncs2)C1 ZINC001031585145 817164224 /nfs/dbraw/zinc/16/42/24/817164224.db2.gz QSDLONXDOQDXFR-ZDUSSCGKSA-N 2 2 294.424 0.785 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000446259156 817347488 /nfs/dbraw/zinc/34/74/88/817347488.db2.gz SZRFXRGWEQSEAG-SECBINFHSA-N 2 2 274.328 0.070 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001031777133 817358822 /nfs/dbraw/zinc/35/88/22/817358822.db2.gz WHVJJJRHVIYJGL-LBPRGKRZSA-N 2 2 257.353 0.488 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001031777133 817358829 /nfs/dbraw/zinc/35/88/29/817358829.db2.gz WHVJJJRHVIYJGL-LBPRGKRZSA-N 2 2 257.353 0.488 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NCC2C[NH+](CCCF)C2)no1 ZINC001031800099 817376391 /nfs/dbraw/zinc/37/63/91/817376391.db2.gz RWGXSDIXJGIJCR-UHFFFAOYSA-N 2 2 298.362 0.757 20 0 CCADLP CCc1noc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001124867098 817605288 /nfs/dbraw/zinc/60/52/88/817605288.db2.gz RUKXUAWCWBADLO-QWRGUYRKSA-N 2 2 295.387 0.493 20 0 CCADLP CCc1noc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001124867098 817605292 /nfs/dbraw/zinc/60/52/92/817605292.db2.gz RUKXUAWCWBADLO-QWRGUYRKSA-N 2 2 295.387 0.493 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C/C(Cl)=C\Cl)C1 ZINC001125221269 817731729 /nfs/dbraw/zinc/73/17/29/817731729.db2.gz PCTONHDSBQLDJI-OLKPEBQYSA-N 2 2 296.198 0.342 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C/C(Cl)=C\Cl)C1 ZINC001125221269 817731735 /nfs/dbraw/zinc/73/17/35/817731735.db2.gz PCTONHDSBQLDJI-OLKPEBQYSA-N 2 2 296.198 0.342 20 0 CCADLP CO[C@@H](C)C[NH2+]CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001127785174 817870041 /nfs/dbraw/zinc/87/00/41/817870041.db2.gz FZYFTZYLYHZMPF-LBPRGKRZSA-N 2 2 294.399 0.503 20 0 CCADLP CC(C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001032331722 817887662 /nfs/dbraw/zinc/88/76/62/817887662.db2.gz IKSWKQWIPNPMGQ-AVGNSLFASA-N 2 2 267.373 0.011 20 0 CCADLP CC(C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001032331722 817887665 /nfs/dbraw/zinc/88/76/65/817887665.db2.gz IKSWKQWIPNPMGQ-AVGNSLFASA-N 2 2 267.373 0.011 20 0 CCADLP CC(C)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001032331722 817887666 /nfs/dbraw/zinc/88/76/66/817887666.db2.gz IKSWKQWIPNPMGQ-AVGNSLFASA-N 2 2 267.373 0.011 20 0 CCADLP CC(C)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001032331722 817887672 /nfs/dbraw/zinc/88/76/72/817887672.db2.gz IKSWKQWIPNPMGQ-AVGNSLFASA-N 2 2 267.373 0.011 20 0 CCADLP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001077656259 817944295 /nfs/dbraw/zinc/94/42/95/817944295.db2.gz CXODWFCIPDJVQX-YUSALJHKSA-N 2 2 278.356 0.011 20 0 CCADLP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001077656259 817944298 /nfs/dbraw/zinc/94/42/98/817944298.db2.gz CXODWFCIPDJVQX-YUSALJHKSA-N 2 2 278.356 0.011 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1C[C@H]([NH2+]CCF)C12CCC2 ZINC001078761078 818050061 /nfs/dbraw/zinc/05/00/61/818050061.db2.gz FQEHMPZDKFUTDW-WDEREUQCSA-N 2 2 280.347 0.939 20 0 CCADLP C[C@H](CC[NH2+]CCO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001273026762 818471832 /nfs/dbraw/zinc/47/18/32/818471832.db2.gz KXEWDZFJPIUFCI-IJLUTSLNSA-N 2 2 280.372 0.000 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CC[NH+](CCF)C2)C1 ZINC001033421061 818771057 /nfs/dbraw/zinc/77/10/57/818771057.db2.gz UVBLJIAUZOUPKQ-CHWSQXEVSA-N 2 2 271.380 0.830 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CC[NH+](CCF)C2)C1 ZINC001033421061 818771064 /nfs/dbraw/zinc/77/10/64/818771064.db2.gz UVBLJIAUZOUPKQ-CHWSQXEVSA-N 2 2 271.380 0.830 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](CCF)C2)C1 ZINC001033421061 818771072 /nfs/dbraw/zinc/77/10/72/818771072.db2.gz UVBLJIAUZOUPKQ-CHWSQXEVSA-N 2 2 271.380 0.830 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](CCF)C2)C1 ZINC001033421061 818771077 /nfs/dbraw/zinc/77/10/77/818771077.db2.gz UVBLJIAUZOUPKQ-CHWSQXEVSA-N 2 2 271.380 0.830 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ncccn1 ZINC001128774103 818984558 /nfs/dbraw/zinc/98/45/58/818984558.db2.gz LLJUGQZWGIHZIB-ZDUSSCGKSA-N 2 2 291.399 0.557 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ncccn1 ZINC001128774103 818984566 /nfs/dbraw/zinc/98/45/66/818984566.db2.gz LLJUGQZWGIHZIB-ZDUSSCGKSA-N 2 2 291.399 0.557 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[N@@H+](CCCO)C1 ZINC001034550778 819232818 /nfs/dbraw/zinc/23/28/18/819232818.db2.gz YRBRFOPXRLHDIO-CYBMUJFWSA-N 2 2 280.372 0.236 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[N@H+](CCCO)C1 ZINC001034550778 819232824 /nfs/dbraw/zinc/23/28/24/819232824.db2.gz YRBRFOPXRLHDIO-CYBMUJFWSA-N 2 2 280.372 0.236 20 0 CCADLP CC[C@H](C[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1)OC ZINC001128967410 819237518 /nfs/dbraw/zinc/23/75/18/819237518.db2.gz PIHINNYBEPVTPP-GFCCVEGCSA-N 2 2 268.361 0.473 20 0 CCADLP CC[C@H](C[NH2+]CCNC(=O)CCc1c[nH+]c[nH]1)OC ZINC001128967410 819237525 /nfs/dbraw/zinc/23/75/25/819237525.db2.gz PIHINNYBEPVTPP-GFCCVEGCSA-N 2 2 268.361 0.473 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547608 819241329 /nfs/dbraw/zinc/24/13/29/819241329.db2.gz VZSLHNNVBKZQDZ-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP CO[C@@H](C)C[N@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547608 819241334 /nfs/dbraw/zinc/24/13/34/819241334.db2.gz VZSLHNNVBKZQDZ-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]1C[NH2+]Cc1ccon1 ZINC001035142638 819400291 /nfs/dbraw/zinc/40/02/91/819400291.db2.gz ZKINKMXGHFIRIP-CYBMUJFWSA-N 2 2 289.339 0.652 20 0 CCADLP CC[NH+]1CC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001035860668 819637712 /nfs/dbraw/zinc/63/77/12/819637712.db2.gz CQPJEVXKVUGBSI-UHFFFAOYSA-N 2 2 262.357 0.827 20 0 CCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1[NH2+]CCO ZINC001036134542 819694847 /nfs/dbraw/zinc/69/48/47/819694847.db2.gz WZZQGYQJWHMWMJ-OLZOCXBDSA-N 2 2 280.372 0.092 20 0 CCADLP COCCOCCOCC[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000709011455 819785117 /nfs/dbraw/zinc/78/51/17/819785117.db2.gz WIXUDBUQVAOKFZ-CQSZACIVSA-N 2 2 274.405 0.869 20 0 CCADLP COCCOCCOCC[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000709011455 819785122 /nfs/dbraw/zinc/78/51/22/819785122.db2.gz WIXUDBUQVAOKFZ-CQSZACIVSA-N 2 2 274.405 0.869 20 0 CCADLP CO[C@@H](C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001080851580 820646328 /nfs/dbraw/zinc/64/63/28/820646328.db2.gz QLZYGMFGJJHPQO-UHIISALHSA-N 2 2 294.399 0.732 20 0 CCADLP CO[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001080851580 820646332 /nfs/dbraw/zinc/64/63/32/820646332.db2.gz QLZYGMFGJJHPQO-UHIISALHSA-N 2 2 294.399 0.732 20 0 CCADLP CC[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001082395125 820955350 /nfs/dbraw/zinc/95/53/50/820955350.db2.gz WMXLAWYWNLZCNZ-MGPQQGTHSA-N 2 2 294.399 0.745 20 0 CCADLP CC[C@@H](C)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001082395125 820955356 /nfs/dbraw/zinc/95/53/56/820955356.db2.gz WMXLAWYWNLZCNZ-MGPQQGTHSA-N 2 2 294.399 0.745 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(OCCC[NH3+])CC1 ZINC001119296414 821089136 /nfs/dbraw/zinc/08/91/36/821089136.db2.gz YSGVCVWARBMSRE-UHFFFAOYSA-N 2 2 280.372 0.617 20 0 CCADLP CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@@H](O)C1 ZINC001084091870 821197208 /nfs/dbraw/zinc/19/72/08/821197208.db2.gz SXKMADXDZZPXLI-UPJWGTAASA-N 2 2 269.389 0.042 20 0 CCADLP CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@@H](O)C1 ZINC001084091870 821197219 /nfs/dbraw/zinc/19/72/19/821197219.db2.gz SXKMADXDZZPXLI-UPJWGTAASA-N 2 2 269.389 0.042 20 0 CCADLP CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)[C@@H](O)C1 ZINC001084091870 821197230 /nfs/dbraw/zinc/19/72/30/821197230.db2.gz SXKMADXDZZPXLI-UPJWGTAASA-N 2 2 269.389 0.042 20 0 CCADLP CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)[C@@H](O)C1 ZINC001084091870 821197235 /nfs/dbraw/zinc/19/72/35/821197235.db2.gz SXKMADXDZZPXLI-UPJWGTAASA-N 2 2 269.389 0.042 20 0 CCADLP C[NH+](C)C1(C(=O)N2C[C@H]3CC[N@H+](CCF)C[C@H]32)CCC1 ZINC001084403903 821288548 /nfs/dbraw/zinc/28/85/48/821288548.db2.gz IKDNDPKFRDMEJH-CHWSQXEVSA-N 2 2 283.391 0.973 20 0 CCADLP C[NH+](C)C1(C(=O)N2C[C@H]3CC[N@@H+](CCF)C[C@H]32)CCC1 ZINC001084403903 821288556 /nfs/dbraw/zinc/28/85/56/821288556.db2.gz IKDNDPKFRDMEJH-CHWSQXEVSA-N 2 2 283.391 0.973 20 0 CCADLP CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001084465722 821293238 /nfs/dbraw/zinc/29/32/38/821293238.db2.gz SLGKZLUYUNZFQR-BFHYXJOUSA-N 2 2 288.395 0.998 20 0 CCADLP CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001084465722 821293249 /nfs/dbraw/zinc/29/32/49/821293249.db2.gz SLGKZLUYUNZFQR-BFHYXJOUSA-N 2 2 288.395 0.998 20 0 CCADLP CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001084466629 821294491 /nfs/dbraw/zinc/29/44/91/821294491.db2.gz ZWFGPZPFBQEAAC-VNHYZAJKSA-N 2 2 288.395 0.998 20 0 CCADLP CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001084466629 821294494 /nfs/dbraw/zinc/29/44/94/821294494.db2.gz ZWFGPZPFBQEAAC-VNHYZAJKSA-N 2 2 288.395 0.998 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@H+](CCF)C[C@H]21 ZINC001084523339 821305864 /nfs/dbraw/zinc/30/58/64/821305864.db2.gz AGFOCYMLCPACSY-CHWSQXEVSA-N 2 2 280.347 0.694 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]2CC[N@@H+](CCF)C[C@H]21 ZINC001084523339 821305874 /nfs/dbraw/zinc/30/58/74/821305874.db2.gz AGFOCYMLCPACSY-CHWSQXEVSA-N 2 2 280.347 0.694 20 0 CCADLP COCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001084866579 821415519 /nfs/dbraw/zinc/41/55/19/821415519.db2.gz XPBLYEZDDJUCMD-CHWSQXEVSA-N 2 2 278.356 0.062 20 0 CCADLP CN(C[C@H]1CC[N@@H+]1CCO)C(=O)c1occc1C[NH+](C)C ZINC001085788330 821951780 /nfs/dbraw/zinc/95/17/80/821951780.db2.gz IKVZYAXKDPGGHA-CYBMUJFWSA-N 2 2 295.383 0.480 20 0 CCADLP CN(C[C@H]1CC[N@H+]1CCO)C(=O)c1occc1C[NH+](C)C ZINC001085788330 821951786 /nfs/dbraw/zinc/95/17/86/821951786.db2.gz IKVZYAXKDPGGHA-CYBMUJFWSA-N 2 2 295.383 0.480 20 0 CCADLP O=C(C[NH+]1CCC1)N1CC[C@H]2C[N@H+](Cc3cn[nH]c3)C[C@H]21 ZINC001273363566 821959397 /nfs/dbraw/zinc/95/93/97/821959397.db2.gz NJAGPPUSGTXUPR-UONOGXRCSA-N 2 2 289.383 0.148 20 0 CCADLP O=C(C[NH+]1CCC1)N1CC[C@H]2C[N@@H+](Cc3cn[nH]c3)C[C@H]21 ZINC001273363566 821959404 /nfs/dbraw/zinc/95/94/04/821959404.db2.gz NJAGPPUSGTXUPR-UONOGXRCSA-N 2 2 289.383 0.148 20 0 CCADLP CC/C=C\CC[NH+]1CC2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273419292 822198445 /nfs/dbraw/zinc/19/84/45/822198445.db2.gz KOGAABXMMRHZRU-WAYWQWQTSA-N 2 2 295.427 0.818 20 0 CCADLP C[C@H]1CN(C(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)C[C@@H]1O ZINC001157996803 837855643 /nfs/dbraw/zinc/85/56/43/837855643.db2.gz GKJAEJUKARMDML-BIMULSAOSA-N 2 2 263.341 0.098 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)[C@@H](C2CC2)[NH+](C)C)o1 ZINC001129437200 837511680 /nfs/dbraw/zinc/51/16/80/837511680.db2.gz XPCJEBXYIHRBBP-CYBMUJFWSA-N 2 2 295.387 0.178 20 0 CCADLP C[C@H]1C[C@@H](CF)N(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001157877587 837532268 /nfs/dbraw/zinc/53/22/68/837532268.db2.gz JQUNOLJMCFZYKU-INTQDDNPSA-N 2 2 254.309 0.486 20 0 CCADLP C[C@H]1C[C@@H](CF)N(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001157877588 837533087 /nfs/dbraw/zinc/53/30/87/837533087.db2.gz JQUNOLJMCFZYKU-LSJOCFKGSA-N 2 2 254.309 0.486 20 0 CCADLP C[C@@H](O)C[NH2+]CCCC[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170483813 837736530 /nfs/dbraw/zinc/73/65/30/837736530.db2.gz PTUUOPDKLDWXRE-QWHCGFSZSA-N 2 2 296.415 0.988 20 0 CCADLP CO[C@H](C)C[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130477519 837800458 /nfs/dbraw/zinc/80/04/58/837800458.db2.gz FPPXWTHWRQZAKF-VXGBXAGGSA-N 2 2 280.372 0.186 20 0 CCADLP COCCC[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130477890 837802096 /nfs/dbraw/zinc/80/20/96/837802096.db2.gz NDOKAXQGKXLBOF-LBPRGKRZSA-N 2 2 280.372 0.188 20 0 CCADLP CC(C)[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130481506 837805009 /nfs/dbraw/zinc/80/50/09/837805009.db2.gz VITAZTHFXVVOPT-LLVKDONJSA-N 2 2 250.346 0.560 20 0 CCADLP O=C(NCC[NH2+]CCCF)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130481198 837805547 /nfs/dbraw/zinc/80/55/47/837805547.db2.gz MTCUKAYJGAFBOP-LLVKDONJSA-N 2 2 268.336 0.511 20 0 CCADLP CC[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001130490354 837811502 /nfs/dbraw/zinc/81/15/02/837811502.db2.gz BMWSRWKBZFNIES-SNVBAGLBSA-N 2 2 250.346 0.549 20 0 CCADLP CC[NH2+]CCNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001130490354 837811511 /nfs/dbraw/zinc/81/15/11/837811511.db2.gz BMWSRWKBZFNIES-SNVBAGLBSA-N 2 2 250.346 0.549 20 0 CCADLP CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001108343733 835981308 /nfs/dbraw/zinc/98/13/08/835981308.db2.gz YUAXSHRLZCZVNN-AWEZNQCLSA-N 2 2 280.372 0.190 20 0 CCADLP CC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001108343733 835981317 /nfs/dbraw/zinc/98/13/17/835981317.db2.gz YUAXSHRLZCZVNN-AWEZNQCLSA-N 2 2 280.372 0.190 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)CCc2ccc(N)[nH+]c2)C1 ZINC001183936034 844115257 /nfs/dbraw/zinc/11/52/57/844115257.db2.gz QGJJHKNDDCGXTN-UHFFFAOYSA-N 2 2 262.357 0.805 20 0 CCADLP C[NH+]1CCC(CO)(NC(=O)CCc2ccc(N)[nH+]c2)CC1 ZINC001183940221 844116410 /nfs/dbraw/zinc/11/64/10/844116410.db2.gz WHPWQQBAJKJJCK-UHFFFAOYSA-N 2 2 292.383 0.169 20 0 CCADLP Cc1nc(CC[NH3+])nn1-c1ccn2cc(N)[nH+]c2c1 ZINC001168987392 836101568 /nfs/dbraw/zinc/10/15/68/836101568.db2.gz NGMPREOCFZZDSX-UHFFFAOYSA-N 2 2 257.301 0.307 20 0 CCADLP CCCc1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1 ZINC001169067042 836122642 /nfs/dbraw/zinc/12/26/42/836122642.db2.gz MIGNKQXXFHPRSO-LLVKDONJSA-N 2 2 261.329 0.477 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2[nH]ccc2n1 ZINC001169067451 836123846 /nfs/dbraw/zinc/12/38/46/836123846.db2.gz TXRPWPJEKGFJNE-SECBINFHSA-N 2 2 257.297 0.611 20 0 CCADLP CCOc1cnc(Cl)nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169070751 836124254 /nfs/dbraw/zinc/12/42/54/836124254.db2.gz ABBOGKVVAUUQMO-MRVPVSSYSA-N 2 2 297.746 0.577 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc2nccc-2n[nH]1 ZINC001169071366 836125439 /nfs/dbraw/zinc/12/54/39/836125439.db2.gz AFCYVLZAAVOOJA-MRVPVSSYSA-N 2 2 258.285 0.006 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncccc1-n1cccc1 ZINC001169071779 836125789 /nfs/dbraw/zinc/12/57/89/836125789.db2.gz KUMZKYDTEPBSCC-GFCCVEGCSA-N 2 2 283.335 0.920 20 0 CCADLP Cc1ncnc(Cl)c1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169075618 836129220 /nfs/dbraw/zinc/12/92/20/836129220.db2.gz ZXFVESWGIIVTLU-MRVPVSSYSA-N 2 2 267.720 0.486 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]C[C@@H]1CCCCO1 ZINC001169211970 836159922 /nfs/dbraw/zinc/15/99/22/836159922.db2.gz NHQQXSSWMRHPIW-LBPRGKRZSA-N 2 2 280.372 0.617 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]CCOC1CCC1 ZINC001169203915 836160698 /nfs/dbraw/zinc/16/06/98/836160698.db2.gz DTIOAQKCSSZEIK-UHFFFAOYSA-N 2 2 280.372 0.617 20 0 CCADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CCN(C(C)=O)C1 ZINC001169563461 836353039 /nfs/dbraw/zinc/35/30/39/836353039.db2.gz OAPJAHSBZHBBQW-CYBMUJFWSA-N 2 2 250.346 0.826 20 0 CCADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCN(C(C)=O)C1 ZINC001169563461 836353050 /nfs/dbraw/zinc/35/30/50/836353050.db2.gz OAPJAHSBZHBBQW-CYBMUJFWSA-N 2 2 250.346 0.826 20 0 CCADLP COCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001108785713 836523998 /nfs/dbraw/zinc/52/39/98/836523998.db2.gz NAUQGOIVXVGGDX-XQQFMLRXSA-N 2 2 292.383 0.568 20 0 CCADLP C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C[NH2+]CCO ZINC001184272997 844184830 /nfs/dbraw/zinc/18/48/30/844184830.db2.gz INSYFEIWJLEAJN-STQMWFEESA-N 2 2 294.399 0.409 20 0 CCADLP CCCCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001112740090 836892518 /nfs/dbraw/zinc/89/25/18/836892518.db2.gz WFXOVSKDHWCWPY-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP CCCCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001112740090 836892523 /nfs/dbraw/zinc/89/25/23/836892523.db2.gz WFXOVSKDHWCWPY-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP CCOCCC[NH+]1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001113111056 837022534 /nfs/dbraw/zinc/02/25/34/837022534.db2.gz DKPFYLVPIOMERN-UHFFFAOYSA-N 2 2 294.399 0.762 20 0 CCADLP C[NH+](C)CCCC(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC001113270202 837071333 /nfs/dbraw/zinc/07/13/33/837071333.db2.gz FQJPMTGRRUSPBS-UHFFFAOYSA-N 2 2 293.415 0.369 20 0 CCADLP CNC(=O)C[NH+]1CCC(Nc2cc(N)cc(Cl)[nH+]2)CC1 ZINC000153619703 844257982 /nfs/dbraw/zinc/25/79/82/844257982.db2.gz CYSIIWHNFRZFAB-UHFFFAOYSA-N 2 2 297.790 0.940 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nc(Cl)nc2cc[nH]c21 ZINC001158203278 837978282 /nfs/dbraw/zinc/97/82/82/837978282.db2.gz HPUULOQJCHKSGC-SSDOTTSWSA-N 2 2 292.730 0.659 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+][C@H](C)c1ncccn1 ZINC001131385761 838072291 /nfs/dbraw/zinc/07/22/91/838072291.db2.gz WDUUILCMCQDJPT-GFCCVEGCSA-N 2 2 288.355 0.449 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+][C@@H](C)c1cnccn1 ZINC001131380722 838078184 /nfs/dbraw/zinc/07/81/84/838078184.db2.gz YCGAWTKHBHGXAF-LBPRGKRZSA-N 2 2 288.355 0.449 20 0 CCADLP COC(=O)c1[nH+]ccc(N[C@@H](C)[C@H]2C[NH2+]CCO2)c1C ZINC001170568301 838133770 /nfs/dbraw/zinc/13/37/70/838133770.db2.gz GCXRSWNUWLFZGJ-CMPLNLGQSA-N 2 2 279.340 0.387 20 0 CCADLP [NH3+]Cc1ccn(-c2cc(N3CCOCC3)[nH+]cn2)c1 ZINC001158763913 838540165 /nfs/dbraw/zinc/54/01/65/838540165.db2.gz LIEDFHMVYKXVBC-UHFFFAOYSA-N 2 2 259.313 0.563 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)C[N@H+]2CCC[C@@H]2C)oc1C ZINC001133831954 838734702 /nfs/dbraw/zinc/73/47/02/838734702.db2.gz YSSCKAMSQOOXET-NSHDSACASA-N 2 2 294.399 0.982 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)C[N@@H+]2CCC[C@@H]2C)oc1C ZINC001133831954 838734707 /nfs/dbraw/zinc/73/47/07/838734707.db2.gz YSSCKAMSQOOXET-NSHDSACASA-N 2 2 294.399 0.982 20 0 CCADLP COCCCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134045371 838841550 /nfs/dbraw/zinc/84/15/50/838841550.db2.gz CXMIDKADTFNIIA-CHWSQXEVSA-N 2 2 294.399 0.656 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001185257976 844383994 /nfs/dbraw/zinc/38/39/94/844383994.db2.gz OOQDUYZQOCVSSC-CQSZACIVSA-N 2 2 291.399 0.292 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001185257976 844384004 /nfs/dbraw/zinc/38/40/04/844384004.db2.gz OOQDUYZQOCVSSC-CQSZACIVSA-N 2 2 291.399 0.292 20 0 CCADLP CC(C)Oc1cc(N[C@@H]2C[NH2+]C[C@@H]2CO)cc[nH+]1 ZINC001170782979 839132090 /nfs/dbraw/zinc/13/20/90/839132090.db2.gz WVSNMOCHNIDOLD-ZYHUDNBSSA-N 2 2 251.330 0.861 20 0 CCADLP CC(C)OCC[NH2+]CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001135071560 839150524 /nfs/dbraw/zinc/15/05/24/839150524.db2.gz HOPMSLIOWQGJOS-GFCCVEGCSA-N 2 2 282.388 0.719 20 0 CCADLP CC(C)OCC[NH2+]CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001135071560 839150529 /nfs/dbraw/zinc/15/05/29/839150529.db2.gz HOPMSLIOWQGJOS-GFCCVEGCSA-N 2 2 282.388 0.719 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CC1CC1 ZINC001135080088 839156470 /nfs/dbraw/zinc/15/64/70/839156470.db2.gz KTXXHPYZJQWHJE-SNVBAGLBSA-N 2 2 250.346 0.704 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]CC1CC1 ZINC001135080088 839156476 /nfs/dbraw/zinc/15/64/76/839156476.db2.gz KTXXHPYZJQWHJE-SNVBAGLBSA-N 2 2 250.346 0.704 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1nnc(C(C)C)o1 ZINC001135508344 839263645 /nfs/dbraw/zinc/26/36/45/839263645.db2.gz LXUMQDJUKMCGNU-UHFFFAOYSA-N 2 2 297.403 0.741 20 0 CCADLP Cc1nnc([C@H](C)[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)C2)o1 ZINC001185416442 844418062 /nfs/dbraw/zinc/41/80/62/844418062.db2.gz VXHKHYOJEOAGOX-CMPLNLGQSA-N 2 2 295.387 0.581 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[NH2+][C@H](C)c1csnn1 ZINC001135511204 839277041 /nfs/dbraw/zinc/27/70/41/839277041.db2.gz LVWGTBDFQAQWBB-SNVBAGLBSA-N 2 2 285.417 0.647 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]Cc1cncc(F)c1 ZINC001135755439 839385592 /nfs/dbraw/zinc/38/55/92/839385592.db2.gz OMDRBJVRMTVTCQ-UHFFFAOYSA-N 2 2 277.303 0.392 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C[NH2+]CCO)[C@H](C)C1 ZINC001185571453 844433452 /nfs/dbraw/zinc/43/34/52/844433452.db2.gz COVTWUXBKBXXIU-YPMHNXCESA-N 2 2 294.399 0.327 20 0 CCADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001185586447 844435036 /nfs/dbraw/zinc/43/50/36/844435036.db2.gz MWBFIPCKAFDTLB-VXGBXAGGSA-N 2 2 292.383 0.403 20 0 CCADLP COCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001135944352 839476104 /nfs/dbraw/zinc/47/61/04/839476104.db2.gz IRSPUECGWRGXHP-QWHCGFSZSA-N 2 2 296.415 0.872 20 0 CCADLP O[C@@H](C[NH2+]C[C@H]1CCC[NH2+]1)COc1cccc(F)c1 ZINC001245984095 839577642 /nfs/dbraw/zinc/57/76/42/839577642.db2.gz VBIOMHNKGHJZCP-OLZOCXBDSA-N 2 2 268.332 0.907 20 0 CCADLP [NH3+]CCC[C@@H]([NH3+])Nc1cc(N2CCSCC2)[nH+]cn1 ZINC001159787626 839580272 /nfs/dbraw/zinc/58/02/72/839580272.db2.gz AGJIUQMUEMLVFF-JTQLQIEISA-N 3 2 282.417 0.465 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H](NC[C@@H]2C[C@H](F)C[NH2+]2)C[NH2+]1 ZINC001246093168 839606195 /nfs/dbraw/zinc/60/61/95/839606195.db2.gz VRYZACZDZDXELZ-YFKTTZPYSA-N 2 2 287.379 0.348 20 0 CCADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)C[NH2+]1 ZINC001246251566 839740933 /nfs/dbraw/zinc/74/09/33/839740933.db2.gz XJKDUIJBEXTSEE-MCIONIFRSA-N 3 2 267.417 0.875 20 0 CCADLP [NH3+][C@@H]1C[N@@H+](C2CCC3(CCOCC3)CC2)C[C@H]1O ZINC001246556021 840004294 /nfs/dbraw/zinc/00/42/94/840004294.db2.gz HCUCAFFDSCHDOG-CHWSQXEVSA-N 2 2 254.374 0.730 20 0 CCADLP [NH3+][C@@H]1C[N@H+](C2CCC3(CCOCC3)CC2)C[C@H]1O ZINC001246556021 840004299 /nfs/dbraw/zinc/00/42/99/840004299.db2.gz HCUCAFFDSCHDOG-CHWSQXEVSA-N 2 2 254.374 0.730 20 0 CCADLP COC(C)(C)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001160583413 840028144 /nfs/dbraw/zinc/02/81/44/840028144.db2.gz XNMGRRXUKNXUSQ-RYUDHWBXSA-N 2 2 280.372 0.696 20 0 CCADLP C[C@@H](F)CC[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171239241 840174247 /nfs/dbraw/zinc/17/42/47/840174247.db2.gz YUUOHDTXRDGCIZ-LLVKDONJSA-N 2 2 270.352 0.807 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]Cc1nccs1 ZINC001171237402 840176311 /nfs/dbraw/zinc/17/63/11/840176311.db2.gz IRGFTALUYQPDFQ-UHFFFAOYSA-N 2 2 293.396 0.715 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]C[C@H]1CCCOC1 ZINC001171238992 840181125 /nfs/dbraw/zinc/18/11/25/840181125.db2.gz WKSPFGHBJNJGQB-CYBMUJFWSA-N 2 2 294.399 0.485 20 0 CCADLP Cc1ncoc1C[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171245201 840188205 /nfs/dbraw/zinc/18/82/05/840188205.db2.gz YYHHFXPPLRHILE-UHFFFAOYSA-N 2 2 291.355 0.555 20 0 CCADLP C[C@H]1CC[C@H](N2CC[NH+](C3(C)CC[NH2+]CC3)CC2)C[NH2+]1 ZINC001246808003 840255331 /nfs/dbraw/zinc/25/53/31/840255331.db2.gz AXKOWCDWQVTGFZ-GJZGRUSLSA-N 3 2 280.460 0.887 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001186221723 844521498 /nfs/dbraw/zinc/52/14/98/844521498.db2.gz MSXSSCYHJSYJSB-VXGBXAGGSA-N 2 2 280.372 0.425 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001186221723 844521502 /nfs/dbraw/zinc/52/15/02/844521502.db2.gz MSXSSCYHJSYJSB-VXGBXAGGSA-N 2 2 280.372 0.425 20 0 CCADLP COCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146757365 840369769 /nfs/dbraw/zinc/36/97/69/840369769.db2.gz OMEWTYPQXFAQKG-QWHCGFSZSA-N 2 2 282.388 0.793 20 0 CCADLP FC(F)(F)CN1CCC([N@@H+]2C[C@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246922772 840546077 /nfs/dbraw/zinc/54/60/77/840546077.db2.gz WZCBXCVJGPTDON-KOLCDFICSA-N 2 2 263.307 0.917 20 0 CCADLP FC(F)(F)CN1CCC([N@H+]2C[C@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246922772 840546084 /nfs/dbraw/zinc/54/60/84/840546084.db2.gz WZCBXCVJGPTDON-KOLCDFICSA-N 2 2 263.307 0.917 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)C[C@@H]2CC[N@H+](C)C2)o1 ZINC001147894166 840705632 /nfs/dbraw/zinc/70/56/32/840705632.db2.gz ZUXMSQIGRUFHCO-JQWIXIFHSA-N 2 2 295.387 0.487 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)o1 ZINC001147894166 840705645 /nfs/dbraw/zinc/70/56/45/840705645.db2.gz ZUXMSQIGRUFHCO-JQWIXIFHSA-N 2 2 295.387 0.487 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2[C@H](CC[N@H+]2CCCO)C1 ZINC001036829361 841335235 /nfs/dbraw/zinc/33/52/35/841335235.db2.gz DAXOEOBYHFYXCI-OCCSQVGLSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2[C@H](CC[N@@H+]2CCCO)C1 ZINC001036829361 841335250 /nfs/dbraw/zinc/33/52/50/841335250.db2.gz DAXOEOBYHFYXCI-OCCSQVGLSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2[C@H](CC[N@H+]2CCF)C1 ZINC001036830678 841336684 /nfs/dbraw/zinc/33/66/84/841336684.db2.gz YXRAOCLCUAYWNF-YPMHNXCESA-N 2 2 280.347 0.845 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2[C@H](CC[N@@H+]2CCF)C1 ZINC001036830678 841336692 /nfs/dbraw/zinc/33/66/92/841336692.db2.gz YXRAOCLCUAYWNF-YPMHNXCESA-N 2 2 280.347 0.845 20 0 CCADLP Cc1cn[nH]c1C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000715379931 841339429 /nfs/dbraw/zinc/33/94/29/841339429.db2.gz AOIGOFSPRPZGCA-UHFFFAOYSA-N 2 2 252.362 0.607 20 0 CCADLP CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC001036910263 841674312 /nfs/dbraw/zinc/67/43/12/841674312.db2.gz QQMJUZYLCPLYLA-CHWSQXEVSA-N 2 2 262.357 0.826 20 0 CCADLP CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC001036910263 841674317 /nfs/dbraw/zinc/67/43/17/841674317.db2.gz QQMJUZYLCPLYLA-CHWSQXEVSA-N 2 2 262.357 0.826 20 0 CCADLP C[NH+]1C(C)(C)CC([NH+]2CCN(CC(N)=O)CC2)CC1(C)C ZINC001171639792 841748650 /nfs/dbraw/zinc/74/86/50/841748650.db2.gz UFEPPAURYJBJAY-UHFFFAOYSA-N 2 2 296.459 0.741 20 0 CCADLP COC[C@H](C)[NH2+]C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001203337762 841783600 /nfs/dbraw/zinc/78/36/00/841783600.db2.gz SVBGVFDGIDNZKX-LBPRGKRZSA-N 2 2 294.399 0.578 20 0 CCADLP CCN1CC[C@@H]([NH2+]CCc2[nH+]ccn2C)CC1=O ZINC001172040904 841816915 /nfs/dbraw/zinc/81/69/15/841816915.db2.gz GTWWBCPEDFNPEX-LLVKDONJSA-N 2 2 250.346 0.563 20 0 CCADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](n1c[nH+]cc1C[C@@H]([NH3+])CO)C2 ZINC001172106485 841849577 /nfs/dbraw/zinc/84/95/77/841849577.db2.gz PFAQUYXYBMIPRR-YIYPIFLZSA-N 3 2 278.400 0.933 20 0 CCADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1c[nH+]cc1C[C@@H]([NH3+])CO)C2 ZINC001172106485 841849581 /nfs/dbraw/zinc/84/95/81/841849581.db2.gz PFAQUYXYBMIPRR-YIYPIFLZSA-N 3 2 278.400 0.933 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172148043 841860796 /nfs/dbraw/zinc/86/07/96/841860796.db2.gz UOESMUUUVIHLHZ-YNEHKIRRSA-N 2 2 251.374 0.824 20 0 CCADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172148043 841860801 /nfs/dbraw/zinc/86/08/01/841860801.db2.gz UOESMUUUVIHLHZ-YNEHKIRRSA-N 2 2 251.374 0.824 20 0 CCADLP C[NH+]1CC(C[NH2+][C@@H]2CCC[C@@H](n3ncnn3)C2)C1 ZINC001173756854 842149687 /nfs/dbraw/zinc/14/96/87/842149687.db2.gz LJSGIXVOPDYJRV-VXGBXAGGSA-N 2 2 250.350 0.308 20 0 CCADLP C[NH+]1CC2(CN(C(=O)c3cc4n(n3)CCC[N@H+](C)C4)C2)C1 ZINC001175077821 842229091 /nfs/dbraw/zinc/22/90/91/842229091.db2.gz QTEYPYDBBNPOGL-UHFFFAOYSA-N 2 2 289.383 0.106 20 0 CCADLP C[NH+]1CC2(CN(C(=O)c3cc4n(n3)CCC[N@@H+](C)C4)C2)C1 ZINC001175077821 842229103 /nfs/dbraw/zinc/22/91/03/842229103.db2.gz QTEYPYDBBNPOGL-UHFFFAOYSA-N 2 2 289.383 0.106 20 0 CCADLP CC(C)(O)CC[NH+]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001176831440 842415423 /nfs/dbraw/zinc/41/54/23/842415423.db2.gz PVMQPBGUENZECS-UHFFFAOYSA-N 2 2 280.372 0.257 20 0 CCADLP [NH3+][C@H]1CC[C@H](N(C(=O)Cc2c[nH+]c[nH]2)C2COC2)CC1 ZINC001176836887 842422685 /nfs/dbraw/zinc/42/26/85/842422685.db2.gz YFQNXIGOLBAZLC-UMSPYCQHSA-N 2 2 278.356 0.450 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CCNC(=O)CCn1cc[nH+]c1 ZINC001176883521 842439188 /nfs/dbraw/zinc/43/91/88/842439188.db2.gz HZHSDUCMFWPOMS-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP C[N@H+]1CCC[C@@H]1CCNC(=O)CCn1cc[nH+]c1 ZINC001176883521 842439191 /nfs/dbraw/zinc/43/91/91/842439191.db2.gz HZHSDUCMFWPOMS-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]CC[C@H]1CCCCO1 ZINC001177404643 842578604 /nfs/dbraw/zinc/57/86/04/842578604.db2.gz FMQSOLWCABGQRT-CQSZACIVSA-N 2 2 294.399 0.938 20 0 CCADLP Cc1noc([C@H](C)[NH2+]CCCNC(=O)Cn2cc[nH+]c2)n1 ZINC001177414393 842585364 /nfs/dbraw/zinc/58/53/64/842585364.db2.gz ADMDWMRLQPRDAY-JTQLQIEISA-N 2 2 292.343 0.432 20 0 CCADLP C[C@H](C(=O)N(C)CC[NH+]1CCCC1)n1cc[nH+]c1 ZINC001177921788 842710451 /nfs/dbraw/zinc/71/04/51/842710451.db2.gz IJNKVENSUIHZEH-GFCCVEGCSA-N 2 2 250.346 0.998 20 0 CCADLP N=c1cc(C[NH3+])ccn1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178119862 842762552 /nfs/dbraw/zinc/76/25/52/842762552.db2.gz YAOLXBKFILRWCD-LLVKDONJSA-N 2 2 271.324 0.526 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001178701443 842906955 /nfs/dbraw/zinc/90/69/55/842906955.db2.gz MHNMCGTTZLULIC-ZDUSSCGKSA-N 2 2 280.372 0.630 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001178701443 842906959 /nfs/dbraw/zinc/90/69/59/842906959.db2.gz MHNMCGTTZLULIC-ZDUSSCGKSA-N 2 2 280.372 0.630 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCCc3ccc(C[NH3+])nc32)C1 ZINC001180763966 843295581 /nfs/dbraw/zinc/29/55/81/843295581.db2.gz RGIJSOKNZFWZHU-ZDUSSCGKSA-N 2 2 290.367 0.150 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CCCc3ccc(C[NH3+])nc32)C1 ZINC001180763966 843295593 /nfs/dbraw/zinc/29/55/93/843295593.db2.gz RGIJSOKNZFWZHU-ZDUSSCGKSA-N 2 2 290.367 0.150 20 0 CCADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CC[NH+](C(C)C)C1 ZINC001181977526 843656274 /nfs/dbraw/zinc/65/62/74/843656274.db2.gz LPIGAAGABVFAFU-QWHCGFSZSA-N 2 2 297.399 0.032 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CC[NH+](C(C)C)C1 ZINC001181977526 843656277 /nfs/dbraw/zinc/65/62/77/843656277.db2.gz LPIGAAGABVFAFU-QWHCGFSZSA-N 2 2 297.399 0.032 20 0 CCADLP COC(=O)[C@H]1C[NH+](C)CCN1C(=O)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001181977526 843656283 /nfs/dbraw/zinc/65/62/83/843656283.db2.gz LPIGAAGABVFAFU-QWHCGFSZSA-N 2 2 297.399 0.032 20 0 CCADLP COC(=O)[C@H]1C[NH+](C)CCN1C(=O)[C@H]1CC[N@H+](C(C)C)C1 ZINC001181977526 843656286 /nfs/dbraw/zinc/65/62/86/843656286.db2.gz LPIGAAGABVFAFU-QWHCGFSZSA-N 2 2 297.399 0.032 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001181995385 843667164 /nfs/dbraw/zinc/66/71/64/843667164.db2.gz COSLVBMOVNTPNY-CHWSQXEVSA-N 2 2 280.372 0.304 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001181995385 843667169 /nfs/dbraw/zinc/66/71/69/843667169.db2.gz COSLVBMOVNTPNY-CHWSQXEVSA-N 2 2 280.372 0.304 20 0 CCADLP CCCc1noc(C[NH2+]CCNC(=O)C[NH+]2CCCC2)n1 ZINC001151098375 843759552 /nfs/dbraw/zinc/75/95/52/843759552.db2.gz YUXNFEXPPVCCAY-UHFFFAOYSA-N 2 2 295.387 0.324 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2cc3c(cn2)OCCC3)C[C@@H]1O ZINC001206512872 843819735 /nfs/dbraw/zinc/81/97/35/843819735.db2.gz VLXRURNHDVYFAA-AAEUAGOBSA-N 2 2 263.341 0.158 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc3c(cn2)OCCC3)C[C@@H]1O ZINC001206512872 843819745 /nfs/dbraw/zinc/81/97/45/843819745.db2.gz VLXRURNHDVYFAA-AAEUAGOBSA-N 2 2 263.341 0.158 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)C1([NH+](C)C)CC1 ZINC001182602835 843873725 /nfs/dbraw/zinc/87/37/25/843873725.db2.gz MJMGHWNGDTXSIY-UHFFFAOYSA-N 2 2 266.345 0.240 20 0 CCADLP Cc1nonc1C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001188145457 844836067 /nfs/dbraw/zinc/83/60/67/844836067.db2.gz HQYNQCAJJUDJML-GFCCVEGCSA-N 2 2 295.387 0.409 20 0 CCADLP Cc1nonc1C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001188145457 844836069 /nfs/dbraw/zinc/83/60/69/844836069.db2.gz HQYNQCAJJUDJML-GFCCVEGCSA-N 2 2 295.387 0.409 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001188375848 844876301 /nfs/dbraw/zinc/87/63/01/844876301.db2.gz LOCLCSQFVGXSCT-VXGBXAGGSA-N 2 2 266.345 0.109 20 0 CCADLP CCOCC[N@H+](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001190559613 845427638 /nfs/dbraw/zinc/42/76/38/845427638.db2.gz ZKOJHDOHDOUKIO-AWEZNQCLSA-N 2 2 294.399 0.912 20 0 CCADLP CCOCC[N@@H+](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001190559613 845427645 /nfs/dbraw/zinc/42/76/45/845427645.db2.gz ZKOJHDOHDOUKIO-AWEZNQCLSA-N 2 2 294.399 0.912 20 0 CCADLP CCOCC[N@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001190559613 845427655 /nfs/dbraw/zinc/42/76/55/845427655.db2.gz ZKOJHDOHDOUKIO-AWEZNQCLSA-N 2 2 294.399 0.912 20 0 CCADLP CCOCC[N@@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001190559613 845427659 /nfs/dbraw/zinc/42/76/59/845427659.db2.gz ZKOJHDOHDOUKIO-AWEZNQCLSA-N 2 2 294.399 0.912 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+]([C@@H](C)[C@H](C)O)CC2)c1 ZINC001190871907 845529253 /nfs/dbraw/zinc/52/92/53/845529253.db2.gz CNUKJGIBJLBFNC-RYUDHWBXSA-N 2 2 265.357 0.982 20 0 CCADLP COC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192561124 845872584 /nfs/dbraw/zinc/87/25/84/845872584.db2.gz XPEFIBWJDMJUHN-AAEUAGOBSA-N 2 2 280.372 0.520 20 0 CCADLP COC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192561124 845872597 /nfs/dbraw/zinc/87/25/97/845872597.db2.gz XPEFIBWJDMJUHN-AAEUAGOBSA-N 2 2 280.372 0.520 20 0 CCADLP COC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194457883 846294923 /nfs/dbraw/zinc/29/49/23/846294923.db2.gz CMRGEHLLGZGPDD-STQMWFEESA-N 2 2 280.372 0.451 20 0 CCADLP COC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194457883 846294933 /nfs/dbraw/zinc/29/49/33/846294933.db2.gz CMRGEHLLGZGPDD-STQMWFEESA-N 2 2 280.372 0.451 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2cccnc2F)C1 ZINC001205673613 846377969 /nfs/dbraw/zinc/37/79/69/846377969.db2.gz SASADQBGPFPZMA-CYBMUJFWSA-N 2 2 253.321 0.896 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2cccnc2F)C1 ZINC001205673613 846377979 /nfs/dbraw/zinc/37/79/79/846377979.db2.gz SASADQBGPFPZMA-CYBMUJFWSA-N 2 2 253.321 0.896 20 0 CCADLP CCc1nnc([C@H](C)[NH2+]CCNC(=O)C[N@H+](C)C(C)C)[nH]1 ZINC001152433214 847082198 /nfs/dbraw/zinc/08/21/98/847082198.db2.gz XVCTXVBUPBENQZ-NSHDSACASA-N 2 2 296.419 0.474 20 0 CCADLP CCc1nnc([C@H](C)[NH2+]CCNC(=O)C[N@@H+](C)C(C)C)[nH]1 ZINC001152433214 847082203 /nfs/dbraw/zinc/08/22/03/847082203.db2.gz XVCTXVBUPBENQZ-NSHDSACASA-N 2 2 296.419 0.474 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001152439371 847088033 /nfs/dbraw/zinc/08/80/33/847088033.db2.gz JIYGYWQHNGOFRV-UHFFFAOYSA-N 2 2 295.387 0.493 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001152439371 847088038 /nfs/dbraw/zinc/08/80/38/847088038.db2.gz JIYGYWQHNGOFRV-UHFFFAOYSA-N 2 2 295.387 0.493 20 0 CCADLP C[C@H](O)C[N@@H+]1CCCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001198368082 847096362 /nfs/dbraw/zinc/09/63/62/847096362.db2.gz MVPNJYKXTJOIJE-AWEZNQCLSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@H](O)C[N@H+]1CCCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001198368082 847096368 /nfs/dbraw/zinc/09/63/68/847096368.db2.gz MVPNJYKXTJOIJE-AWEZNQCLSA-N 2 2 294.399 0.578 20 0 CCADLP CCOCCC[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001198368481 847096392 /nfs/dbraw/zinc/09/63/92/847096392.db2.gz XORUNLGTEHTOAQ-UHFFFAOYSA-N 2 2 294.399 0.844 20 0 CCADLP CCOCCC[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001198368481 847096397 /nfs/dbraw/zinc/09/63/97/847096397.db2.gz XORUNLGTEHTOAQ-UHFFFAOYSA-N 2 2 294.399 0.844 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC[C@](O)(CF)CC2)O1 ZINC001205853437 847188765 /nfs/dbraw/zinc/18/87/65/847188765.db2.gz IPMQMQLGZVHHRR-WCQYABFASA-N 2 2 260.353 0.897 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC[C@](O)(CF)CC2)O1 ZINC001205853437 847188770 /nfs/dbraw/zinc/18/87/70/847188770.db2.gz IPMQMQLGZVHHRR-WCQYABFASA-N 2 2 260.353 0.897 20 0 CCADLP CN1C[C@@]2(CC1=O)COCC[N@@H+](C1CC[NH+](C)CC1)C2 ZINC001273829421 847617399 /nfs/dbraw/zinc/61/73/99/847617399.db2.gz CBBWLHNAKBDVRP-OAHLLOKOSA-N 2 2 281.400 0.261 20 0 CCADLP CN1C[C@@]2(CC1=O)COCC[N@H+](C1CC[NH+](C)CC1)C2 ZINC001273829421 847617402 /nfs/dbraw/zinc/61/74/02/847617402.db2.gz CBBWLHNAKBDVRP-OAHLLOKOSA-N 2 2 281.400 0.261 20 0 CCADLP CC[C@H](C)[NH+]1CC2(C1)COCC(=O)N2CCn1cc[nH+]c1 ZINC001273921564 847842389 /nfs/dbraw/zinc/84/23/89/847842389.db2.gz HHVUTAXUXRTZAX-ZDUSSCGKSA-N 2 2 292.383 0.595 20 0 CCADLP CCc1noc(C)c1C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153487770 848010412 /nfs/dbraw/zinc/01/04/12/848010412.db2.gz NSZYWJGWXZLELW-UHFFFAOYSA-N 2 2 291.355 0.648 20 0 CCADLP O=S(=O)([C@@H]1CCC[NH2+]C1)N1CCc2c[nH+]ccc21 ZINC000923627244 848078468 /nfs/dbraw/zinc/07/84/68/848078468.db2.gz TXNFZUJZFZMUON-LLVKDONJSA-N 2 2 267.354 0.526 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@H](O)c1cccc(O)c1 ZINC001253207976 848160140 /nfs/dbraw/zinc/16/01/40/848160140.db2.gz MFRHGAGHMLZBSD-CABCVRRESA-N 2 2 282.384 0.718 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCC[C@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001274053443 848326223 /nfs/dbraw/zinc/32/62/23/848326223.db2.gz TYJLLUMXBXWWTK-UKRRQHHQSA-N 2 2 292.383 0.331 20 0 CCADLP C[C@@H](O)C[N@H+]1CCC[C@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001274053443 848326232 /nfs/dbraw/zinc/32/62/32/848326232.db2.gz TYJLLUMXBXWWTK-UKRRQHHQSA-N 2 2 292.383 0.331 20 0 CCADLP C[C@H](O)C[N@@H+]1CCC[C@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001274053439 848327218 /nfs/dbraw/zinc/32/72/18/848327218.db2.gz TYJLLUMXBXWWTK-DZGCQCFKSA-N 2 2 292.383 0.331 20 0 CCADLP C[C@H](O)C[N@H+]1CCC[C@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001274053439 848327237 /nfs/dbraw/zinc/32/72/37/848327237.db2.gz TYJLLUMXBXWWTK-DZGCQCFKSA-N 2 2 292.383 0.331 20 0 CCADLP C[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4cc[nH]n4)CC3)[C@@H]2C1 ZINC001275202563 848663661 /nfs/dbraw/zinc/66/36/61/848663661.db2.gz OSWSSYUWXQHRLZ-CHWSQXEVSA-N 2 2 289.383 0.052 20 0 CCADLP C[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4cc[nH]n4)CC3)[C@@H]2C1 ZINC001275202563 848663663 /nfs/dbraw/zinc/66/36/63/848663663.db2.gz OSWSSYUWXQHRLZ-CHWSQXEVSA-N 2 2 289.383 0.052 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC(C[NH2+]CCO)C1 ZINC001275289941 848685784 /nfs/dbraw/zinc/68/57/84/848685784.db2.gz QINLPEMSKPXVPM-FIYWTHMPSA-N 2 2 292.383 0.000 20 0 CCADLP C[C@@H](C[NH2+]CC[C@@H]1CCCO1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001275381896 848705253 /nfs/dbraw/zinc/70/52/53/848705253.db2.gz IJPKUHYZXVDHTL-RYUDHWBXSA-N 2 2 280.372 0.616 20 0 CCADLP Cc1c[nH]c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)n1 ZINC001275687446 848791752 /nfs/dbraw/zinc/79/17/52/848791752.db2.gz COURCQLJVNWXRU-OKILXGFUSA-N 2 2 277.416 0.928 20 0 CCADLP Cc1c[nH]c(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)n1 ZINC001275687446 848791754 /nfs/dbraw/zinc/79/17/54/848791754.db2.gz COURCQLJVNWXRU-OKILXGFUSA-N 2 2 277.416 0.928 20 0 CCADLP CCOC(=O)COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000384889949 848907693 /nfs/dbraw/zinc/90/76/93/848907693.db2.gz LJDGHNUVFUOCMB-PJXYFTJBSA-N 2 2 256.346 0.058 20 0 CCADLP CCOC(=O)COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000384889949 848907714 /nfs/dbraw/zinc/90/77/14/848907714.db2.gz LJDGHNUVFUOCMB-PJXYFTJBSA-N 2 2 256.346 0.058 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](OC)CC[C@@H]1C ZINC000687198311 849094952 /nfs/dbraw/zinc/09/49/52/849094952.db2.gz RLQKXJLHLLTQSZ-MELADBBJSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](OC)CC[C@@H]1C ZINC000687198311 849094962 /nfs/dbraw/zinc/09/49/62/849094962.db2.gz RLQKXJLHLLTQSZ-MELADBBJSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](OC)CC[C@@H]1C ZINC000687198311 849094968 /nfs/dbraw/zinc/09/49/68/849094968.db2.gz RLQKXJLHLLTQSZ-MELADBBJSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](OC)CC[C@@H]1C ZINC000687198311 849094973 /nfs/dbraw/zinc/09/49/73/849094973.db2.gz RLQKXJLHLLTQSZ-MELADBBJSA-N 2 2 274.405 0.425 20 0 CCADLP CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001037100466 849333425 /nfs/dbraw/zinc/33/34/25/849333425.db2.gz JIYLYGVHMHYGCT-WDEREUQCSA-N 2 2 250.346 0.847 20 0 CCADLP [NH3+]C[C@@H]1CN(CCC[NH+]2CCOCC2)C[C@@H]1C(F)(F)F ZINC000720795871 849539938 /nfs/dbraw/zinc/53/99/38/849539938.db2.gz QTNKBQJBZOAAAN-NEPJUHHUSA-N 2 2 295.349 0.778 20 0 CCADLP COCCOCCOCCC[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000720938112 849565762 /nfs/dbraw/zinc/56/57/62/849565762.db2.gz UFNBGCOKPKWVMO-LSDHHAIUSA-N 2 2 286.416 0.882 20 0 CCADLP COCCOCCOCCC[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000720938112 849565766 /nfs/dbraw/zinc/56/57/66/849565766.db2.gz UFNBGCOKPKWVMO-LSDHHAIUSA-N 2 2 286.416 0.882 20 0 CCADLP CC(C)=CC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001038397589 849880814 /nfs/dbraw/zinc/88/08/14/849880814.db2.gz BCMMKYATZPZHNT-QLFBSQMISA-N 2 2 295.427 0.862 20 0 CCADLP CC(C)=CC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001038397589 849880822 /nfs/dbraw/zinc/88/08/22/849880822.db2.gz BCMMKYATZPZHNT-QLFBSQMISA-N 2 2 295.427 0.862 20 0 CCADLP CC(C)=CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001038397589 849880833 /nfs/dbraw/zinc/88/08/33/849880833.db2.gz BCMMKYATZPZHNT-QLFBSQMISA-N 2 2 295.427 0.862 20 0 CCADLP CC(C)=CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001038397589 849880844 /nfs/dbraw/zinc/88/08/44/849880844.db2.gz BCMMKYATZPZHNT-QLFBSQMISA-N 2 2 295.427 0.862 20 0 CCADLP O=C(NC[C@@H]1CC[N@H+]1CCCF)[C@@H]1CCc2c[nH+]cn2C1 ZINC001038424194 849889728 /nfs/dbraw/zinc/88/97/28/849889728.db2.gz LLRFMPJHOKCYMV-OCCSQVGLSA-N 2 2 294.374 0.996 20 0 CCADLP O=C(NC[C@@H]1CC[N@@H+]1CCCF)[C@@H]1CCc2c[nH+]cn2C1 ZINC001038424194 849889739 /nfs/dbraw/zinc/88/97/39/849889739.db2.gz LLRFMPJHOKCYMV-OCCSQVGLSA-N 2 2 294.374 0.996 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccccn2)C1 ZINC001039007558 850116698 /nfs/dbraw/zinc/11/66/98/850116698.db2.gz QXMZIHLOBBSEKZ-HIFRSBDPSA-N 2 2 288.395 0.724 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccccn2)C1 ZINC001039007558 850116702 /nfs/dbraw/zinc/11/67/02/850116702.db2.gz QXMZIHLOBBSEKZ-HIFRSBDPSA-N 2 2 288.395 0.724 20 0 CCADLP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccn2)C1 ZINC001039007558 850116712 /nfs/dbraw/zinc/11/67/12/850116712.db2.gz QXMZIHLOBBSEKZ-HIFRSBDPSA-N 2 2 288.395 0.724 20 0 CCADLP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccn2)C1 ZINC001039007558 850116717 /nfs/dbraw/zinc/11/67/17/850116717.db2.gz QXMZIHLOBBSEKZ-HIFRSBDPSA-N 2 2 288.395 0.724 20 0 CCADLP CC[NH+]1[C@@H]2CCC[C@H]1CN(C(=O)[C@@H]1C[N@H+](CC)CCO1)C2 ZINC001040011719 850251462 /nfs/dbraw/zinc/25/14/62/850251462.db2.gz IGSOZNYNUVUAHE-ZNMIVQPWSA-N 2 2 295.427 0.792 20 0 CCADLP CC[NH+]1[C@@H]2CCC[C@H]1CN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)C2 ZINC001040011719 850251468 /nfs/dbraw/zinc/25/14/68/850251468.db2.gz IGSOZNYNUVUAHE-ZNMIVQPWSA-N 2 2 295.427 0.792 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3CC)C1 ZINC001040011719 850251474 /nfs/dbraw/zinc/25/14/74/850251474.db2.gz IGSOZNYNUVUAHE-ZNMIVQPWSA-N 2 2 295.427 0.792 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CC)C1 ZINC001040011719 850251478 /nfs/dbraw/zinc/25/14/78/850251478.db2.gz IGSOZNYNUVUAHE-ZNMIVQPWSA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](C[C@H](C)O)C1 ZINC001043198563 850827263 /nfs/dbraw/zinc/82/72/63/850827263.db2.gz UIPHPDIQQZMZES-ZFWWWQNUSA-N 2 2 297.443 0.630 20 0 CCADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](C[C@H](C)O)C1 ZINC001043198563 850827269 /nfs/dbraw/zinc/82/72/69/850827269.db2.gz UIPHPDIQQZMZES-ZFWWWQNUSA-N 2 2 297.443 0.630 20 0 CCADLP CC(C)[NH+]1CC(N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001043628997 850912724 /nfs/dbraw/zinc/91/27/24/850912724.db2.gz NACAILWHTFMAHN-AWEZNQCLSA-N 2 2 283.416 0.647 20 0 CCADLP CC(C)[NH+]1CC(N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001043628997 850912737 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C[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001101926982 855393129 /nfs/dbraw/zinc/39/31/29/855393129.db2.gz TVAKXTBKIXIBJZ-JHJVBQTASA-N 2 2 294.399 0.407 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001101926982 855393133 /nfs/dbraw/zinc/39/31/33/855393133.db2.gz TVAKXTBKIXIBJZ-JHJVBQTASA-N 2 2 294.399 0.407 20 0 CCADLP CC[N@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001102204969 855418002 /nfs/dbraw/zinc/41/80/02/855418002.db2.gz FKYLKQSHRNAHLR-CHWSQXEVSA-N 2 2 264.373 0.977 20 0 CCADLP CC[N@@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001102204969 855418008 /nfs/dbraw/zinc/41/80/08/855418008.db2.gz FKYLKQSHRNAHLR-CHWSQXEVSA-N 2 2 264.373 0.977 20 0 CCADLP CO[C@H](C)C[N@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102482961 855437411 /nfs/dbraw/zinc/43/74/11/855437411.db2.gz QIMSKDAKGDRVGG-JHJVBQTASA-N 2 2 294.399 0.671 20 0 CCADLP CO[C@H](C)C[N@@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102482961 855437421 /nfs/dbraw/zinc/43/74/21/855437421.db2.gz QIMSKDAKGDRVGG-JHJVBQTASA-N 2 2 294.399 0.671 20 0 CCADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)C12CC[NH+](CC1)C2 ZINC001119629541 856792211 /nfs/dbraw/zinc/79/22/11/856792211.db2.gz FVVMYSMCPNYARD-NSHDSACASA-N 2 2 260.341 0.410 20 0 CCADLP CC1(C)C[NH2+]C[C@H]1NC(=O)NCCCCn1cc[nH+]c1 ZINC001120487852 857090132 /nfs/dbraw/zinc/09/01/32/857090132.db2.gz JNGNWYUQVHWQHJ-GFCCVEGCSA-N 2 2 279.388 0.961 20 0 CCADLP C[C@H]1CCC[C@H]1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001120503886 857096706 /nfs/dbraw/zinc/09/67/06/857096706.db2.gz BDDMVFHNFCDXKL-WCQYABFASA-N 2 2 268.405 0.897 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[N@H+](C)CCCO ZINC001394079205 912979297 /nfs/dbraw/zinc/97/92/97/912979297.db2.gz MDDBMRGXXQPOAI-QWHCGFSZSA-N 2 2 294.399 0.264 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[N@@H+](C)CCCO ZINC001394079205 912979313 /nfs/dbraw/zinc/97/93/13/912979313.db2.gz MDDBMRGXXQPOAI-QWHCGFSZSA-N 2 2 294.399 0.264 20 0 CCADLP CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001394334510 913132462 /nfs/dbraw/zinc/13/24/62/913132462.db2.gz QVBDVJPWHJRPCM-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H](C)O)C1 ZINC001394378697 913150554 /nfs/dbraw/zinc/15/05/54/913150554.db2.gz ZOQKYKZARADZHQ-YUSALJHKSA-N 2 2 280.372 0.126 20 0 CCADLP C[C@@H]([NH2+]CCF)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001325450793 913412455 /nfs/dbraw/zinc/41/24/55/913412455.db2.gz RRWYUWMMMSPOMI-MNOVXSKESA-N 2 2 268.336 0.748 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC[N@H+](C)CCCF ZINC001480894061 891699169 /nfs/dbraw/zinc/69/91/69/891699169.db2.gz KVVQGXFQVHPMJY-UHFFFAOYSA-N 2 2 270.352 0.760 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC[N@@H+](C)CCCF ZINC001480894061 891699178 /nfs/dbraw/zinc/69/91/78/891699178.db2.gz KVVQGXFQVHPMJY-UHFFFAOYSA-N 2 2 270.352 0.760 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001481096407 892159808 /nfs/dbraw/zinc/15/98/08/892159808.db2.gz RUMXMRBIPKHXNO-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001481096407 892159813 /nfs/dbraw/zinc/15/98/13/892159813.db2.gz RUMXMRBIPKHXNO-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001481096407 892159824 /nfs/dbraw/zinc/15/98/24/892159824.db2.gz RUMXMRBIPKHXNO-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001481096407 892159833 /nfs/dbraw/zinc/15/98/33/892159833.db2.gz RUMXMRBIPKHXNO-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP C[N@H+](CCCO)C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001481497442 892746736 /nfs/dbraw/zinc/74/67/36/892746736.db2.gz XGLMRTJWBTZBTO-CQSZACIVSA-N 2 2 294.399 0.436 20 0 CCADLP C[N@@H+](CCCO)C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001481497442 892746748 /nfs/dbraw/zinc/74/67/48/892746748.db2.gz XGLMRTJWBTZBTO-CQSZACIVSA-N 2 2 294.399 0.436 20 0 CCADLP COC[C@H](C)[NH+]1CC(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001481648839 892966095 /nfs/dbraw/zinc/96/60/95/892966095.db2.gz UZEZWVICJLREPM-OLZOCXBDSA-N 2 2 294.399 0.917 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC1C[NH+](CC[C@@H]2CCOC2)C1 ZINC001481651239 892967978 /nfs/dbraw/zinc/96/79/78/892967978.db2.gz AJHAKBKIDHFOEM-GFCCVEGCSA-N 2 2 292.383 0.427 20 0 CCADLP C[C@H](F)CC[NH+]1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001481663180 892980983 /nfs/dbraw/zinc/98/09/83/892980983.db2.gz YTEAYZPZFIIFST-NSHDSACASA-N 2 2 268.336 0.679 20 0 CCADLP CC(C)[NH+]1CCC[C@@H](C(=O)N2CC[N@@H+](C)[C@H](CO)C2)C1 ZINC001363511169 893759789 /nfs/dbraw/zinc/75/97/89/893759789.db2.gz RIZLXXYYKMLHOZ-KGLIPLIRSA-N 2 2 283.416 0.242 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH+](C)[C@H](CO)C2)C1 ZINC001363511169 893759754 /nfs/dbraw/zinc/75/97/54/893759754.db2.gz RIZLXXYYKMLHOZ-KGLIPLIRSA-N 2 2 283.416 0.242 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H](C(=O)N2CC[NH+](C)[C@H](CO)C2)C1 ZINC001363511169 893759769 /nfs/dbraw/zinc/75/97/69/893759769.db2.gz RIZLXXYYKMLHOZ-KGLIPLIRSA-N 2 2 283.416 0.242 20 0 CCADLP CC(C)[NH+]1CCC[C@@H](C(=O)N2CC[N@H+](C)[C@H](CO)C2)C1 ZINC001363511169 893759773 /nfs/dbraw/zinc/75/97/73/893759773.db2.gz RIZLXXYYKMLHOZ-KGLIPLIRSA-N 2 2 283.416 0.242 20 0 CCADLP Cc1[nH]c(C2CC[NH+](CC(=O)NC(N)=O)CC2)[nH+]c1C ZINC001363834754 893829587 /nfs/dbraw/zinc/82/95/87/893829587.db2.gz RPYCMZFGTXDUQZ-UHFFFAOYSA-N 2 2 279.344 0.401 20 0 CCADLP C[C@H](C[NH2+]Cc1csnn1)N(C)C(=O)CC[NH+](C)C ZINC001482326679 893873992 /nfs/dbraw/zinc/87/39/92/893873992.db2.gz VJCKTYLZEBOYLO-SNVBAGLBSA-N 2 2 285.417 0.426 20 0 CCADLP C[C@@H](C[NH2+]C[C@H]1CCCCO1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001482374186 893929814 /nfs/dbraw/zinc/92/98/14/893929814.db2.gz LUQBFONCLPFLOR-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP Cc1oncc1C[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001482375559 893931859 /nfs/dbraw/zinc/93/18/59/893931859.db2.gz REXDYFBSVKYXHY-LLVKDONJSA-N 2 2 291.355 0.816 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001482434166 893978469 /nfs/dbraw/zinc/97/84/69/893978469.db2.gz VSLXJPQADRPXNA-NWDGAFQWSA-N 2 2 280.372 0.425 20 0 CCADLP CN(CC[NH2+]Cc1nccs1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001493509522 894205043 /nfs/dbraw/zinc/20/50/43/894205043.db2.gz VFXMYRSRAOGMQW-NSHDSACASA-N 2 2 298.412 0.022 20 0 CCADLP CN(CC[NH2+]Cc1nccs1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001493509522 894205056 /nfs/dbraw/zinc/20/50/56/894205056.db2.gz VFXMYRSRAOGMQW-NSHDSACASA-N 2 2 298.412 0.022 20 0 CCADLP CN(CC[N@H+](C)CC[C@H]1CCCO1)C(=O)Cc1[nH]cc[nH+]1 ZINC001482637351 894439155 /nfs/dbraw/zinc/43/91/55/894439155.db2.gz DYXCQHPYDNFIOF-CYBMUJFWSA-N 2 2 294.399 0.912 20 0 CCADLP CN(CC[N@@H+](C)CC[C@H]1CCCO1)C(=O)Cc1[nH]cc[nH+]1 ZINC001482637351 894439160 /nfs/dbraw/zinc/43/91/60/894439160.db2.gz DYXCQHPYDNFIOF-CYBMUJFWSA-N 2 2 294.399 0.912 20 0 CCADLP CO[C@H](C)C[N@H+](C)CCN(C)C(=O)CCc1c[nH+]cn1C ZINC001482646295 894441505 /nfs/dbraw/zinc/44/15/05/894441505.db2.gz ZMUXWQOWTFUFJH-CYBMUJFWSA-N 2 2 296.415 0.778 20 0 CCADLP CO[C@H](C)C[N@@H+](C)CCN(C)C(=O)CCc1c[nH+]cn1C ZINC001482646295 894441512 /nfs/dbraw/zinc/44/15/12/894441512.db2.gz ZMUXWQOWTFUFJH-CYBMUJFWSA-N 2 2 296.415 0.778 20 0 CCADLP CO[C@@H](C)C[NH2+]CC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001482886119 894664178 /nfs/dbraw/zinc/66/41/78/894664178.db2.gz REGNVUOMVGDFIN-MNOVXSKESA-N 2 2 268.361 0.472 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CC[NH2+]C[C@@H](C)O ZINC001482888922 894670472 /nfs/dbraw/zinc/67/04/72/894670472.db2.gz FSZSAEDDWJAFFI-NXEZZACHSA-N 2 2 268.361 0.126 20 0 CCADLP C[C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)[N@H+](C)CCF ZINC001505951338 894671494 /nfs/dbraw/zinc/67/14/94/894671494.db2.gz UDRLUSQJGLJFMA-JTQLQIEISA-N 2 2 286.351 0.756 20 0 CCADLP C[C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)[N@@H+](C)CCF ZINC001505951338 894671502 /nfs/dbraw/zinc/67/15/02/894671502.db2.gz UDRLUSQJGLJFMA-JTQLQIEISA-N 2 2 286.351 0.756 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC/C=C\C[NH2+]CC[C@@H]1CCCO1 ZINC001483065045 894868285 /nfs/dbraw/zinc/86/82/85/894868285.db2.gz OZCOAEUMGQNIDQ-BOPNBLERSA-N 2 2 292.383 0.783 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC/C=C/C[NH2+]C[C@H]1CCCCO1 ZINC001483075869 894881921 /nfs/dbraw/zinc/88/19/21/894881921.db2.gz BJEHWMRUSCMRGJ-YWVDXFKGSA-N 2 2 292.383 0.783 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@H+](C)C[C@H]1CCOC1 ZINC001409645934 895309313 /nfs/dbraw/zinc/30/93/13/895309313.db2.gz YNAWRFLUAJVLSK-NWDGAFQWSA-N 2 2 280.372 0.425 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@@H+](C)C[C@H]1CCOC1 ZINC001409645934 895309327 /nfs/dbraw/zinc/30/93/27/895309327.db2.gz YNAWRFLUAJVLSK-NWDGAFQWSA-N 2 2 280.372 0.425 20 0 CCADLP CCC[NH+]1CC(CCO)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001409739606 895357436 /nfs/dbraw/zinc/35/74/36/895357436.db2.gz NAGWECZLEBWYAU-UHFFFAOYSA-N 2 2 280.372 0.155 20 0 CCADLP CCC[NH+]1CC(CCO)(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001409739998 895357756 /nfs/dbraw/zinc/35/77/56/895357756.db2.gz NIFJEODTUNGPQZ-LBPRGKRZSA-N 2 2 271.405 0.290 20 0 CCADLP CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)c1nc(C)no1)[NH+](C)C ZINC001483240053 895369174 /nfs/dbraw/zinc/36/91/74/895369174.db2.gz LLZWGBFGCJJONK-HOSYDEDBSA-N 2 2 297.403 0.874 20 0 CCADLP C[C@H](C[N@H+](C)CC[C@@H]1CCOC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001483401067 895540546 /nfs/dbraw/zinc/54/05/46/895540546.db2.gz QCRQUYZGMQVBKS-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H](C[N@@H+](C)CC[C@@H]1CCOC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001483401067 895540559 /nfs/dbraw/zinc/54/05/59/895540559.db2.gz QCRQUYZGMQVBKS-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP CC(C)[C@H](C(=O)N[C@H](C)C[N@H+](C)CC(N)=O)[NH+]1CCCC1 ZINC001483421307 895554910 /nfs/dbraw/zinc/55/49/10/895554910.db2.gz PQIPTIXIHINEER-TZMCWYRMSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)[C@H](C(=O)N[C@H](C)C[N@@H+](C)CC(N)=O)[NH+]1CCCC1 ZINC001483421307 895554918 /nfs/dbraw/zinc/55/49/18/895554918.db2.gz PQIPTIXIHINEER-TZMCWYRMSA-N 2 2 298.431 0.029 20 0 CCADLP CN(CCC[NH2+]Cc1cnon1)C(=O)CCn1cc[nH+]c1 ZINC001483483319 895601176 /nfs/dbraw/zinc/60/11/76/895601176.db2.gz OHPOJAHORZLNDR-UHFFFAOYSA-N 2 2 292.343 0.295 20 0 CCADLP Cn1cncc1C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001483797879 896062593 /nfs/dbraw/zinc/06/25/93/896062593.db2.gz YUYOKQUTDHAADI-UHFFFAOYSA-N 2 2 288.355 0.055 20 0 CCADLP [NH3+]C1(C[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)CCC1 ZINC001326583994 914033330 /nfs/dbraw/zinc/03/33/30/914033330.db2.gz RGUUULUNVZIXJG-GFCCVEGCSA-N 2 2 267.373 0.237 20 0 CCADLP C[C@@H](O)CCC[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001483957532 896136225 /nfs/dbraw/zinc/13/62/25/896136225.db2.gz IGEVSQMVKQQOBP-KGLIPLIRSA-N 2 2 294.399 0.625 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC1(C)CC[NH+](CCO)CC1 ZINC001484144440 896206952 /nfs/dbraw/zinc/20/69/52/896206952.db2.gz FCDPURYWSFKSTP-UHFFFAOYSA-N 2 2 294.399 0.173 20 0 CCADLP CC(C)CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001484705412 896550739 /nfs/dbraw/zinc/55/07/39/896550739.db2.gz RHLZAHFRRPHUHZ-AWEZNQCLSA-N 2 2 294.399 0.746 20 0 CCADLP CN(CCC[N@H+](C)CCO)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001484746961 896577540 /nfs/dbraw/zinc/57/75/40/896577540.db2.gz BFQUIBBTHNLECT-ZDUSSCGKSA-N 2 2 294.399 0.218 20 0 CCADLP CN(CCC[N@@H+](C)CCO)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001484746961 896577550 /nfs/dbraw/zinc/57/75/50/896577550.db2.gz BFQUIBBTHNLECT-ZDUSSCGKSA-N 2 2 294.399 0.218 20 0 CCADLP C[N@H+](CCO)C[C@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001485079927 896756371 /nfs/dbraw/zinc/75/63/71/896756371.db2.gz NVOOZHSZVZSLEN-CQSZACIVSA-N 2 2 294.399 0.578 20 0 CCADLP C[N@@H+](CCO)C[C@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001485079927 896756378 /nfs/dbraw/zinc/75/63/78/896756378.db2.gz NVOOZHSZVZSLEN-CQSZACIVSA-N 2 2 294.399 0.578 20 0 CCADLP Cc1conc1C[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001485233196 896878513 /nfs/dbraw/zinc/87/85/13/896878513.db2.gz COZYBELCVCEQAL-VXGBXAGGSA-N 2 2 291.355 0.863 20 0 CCADLP CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001485318396 896947494 /nfs/dbraw/zinc/94/74/94/896947494.db2.gz HJHALDYLUPPKFT-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001485318396 896947503 /nfs/dbraw/zinc/94/75/03/896947503.db2.gz HJHALDYLUPPKFT-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001485318396 896947510 /nfs/dbraw/zinc/94/75/10/896947510.db2.gz HJHALDYLUPPKFT-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001485318396 896947516 /nfs/dbraw/zinc/94/75/16/896947516.db2.gz HJHALDYLUPPKFT-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP C[N@H+](CCNC(=O)C[NH+]1CCCC1)Cc1cncs1 ZINC001492858014 914119877 /nfs/dbraw/zinc/11/98/77/914119877.db2.gz VAQWKTQYXMTRFG-UHFFFAOYSA-N 2 2 282.413 0.787 20 0 CCADLP C[N@@H+](CCNC(=O)C[NH+]1CCCC1)Cc1cncs1 ZINC001492858014 914119895 /nfs/dbraw/zinc/11/98/95/914119895.db2.gz VAQWKTQYXMTRFG-UHFFFAOYSA-N 2 2 282.413 0.787 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCC[NH2+]C[C@@H](C)O ZINC001485747003 897222660 /nfs/dbraw/zinc/22/26/60/897222660.db2.gz RNVQXUKOJMQGGA-WDEREUQCSA-N 2 2 282.388 0.516 20 0 CCADLP C[C@@H](CCC[NH2+]CCF)NC(=O)Cn1cc[nH+]c1 ZINC001485750986 897224861 /nfs/dbraw/zinc/22/48/61/897224861.db2.gz GBJBIBULIUFPCG-NSHDSACASA-N 2 2 256.325 0.727 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2C[C@H]1C[N@H+]2CCCF ZINC001032378973 897368698 /nfs/dbraw/zinc/36/86/98/897368698.db2.gz BJHWNRCPJZNSBT-RYUDHWBXSA-N 2 2 280.347 0.987 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCF ZINC001032378973 897368711 /nfs/dbraw/zinc/36/87/11/897368711.db2.gz BJHWNRCPJZNSBT-RYUDHWBXSA-N 2 2 280.347 0.987 20 0 CCADLP COC[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)CCn1cc[nH+]c1 ZINC001367385785 897624057 /nfs/dbraw/zinc/62/40/57/897624057.db2.gz SSJQWTIKSVOVOB-STQMWFEESA-N 2 2 282.388 0.745 20 0 CCADLP CC(C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1 ZINC001032550511 897735030 /nfs/dbraw/zinc/73/50/30/897735030.db2.gz VIPGJKJKTDTRTR-STQMWFEESA-N 2 2 262.357 0.967 20 0 CCADLP CC(C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1 ZINC001032550511 897735041 /nfs/dbraw/zinc/73/50/41/897735041.db2.gz VIPGJKJKTDTRTR-STQMWFEESA-N 2 2 262.357 0.967 20 0 CCADLP CO[C@@H]1C[N@H+](CC(C)C)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001212385324 897782388 /nfs/dbraw/zinc/78/23/88/897782388.db2.gz MGLUWPQUINRNPS-ZIAGYGMSSA-N 2 2 294.399 0.814 20 0 CCADLP CO[C@@H]1C[N@@H+](CC(C)C)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001212385324 897782396 /nfs/dbraw/zinc/78/23/96/897782396.db2.gz MGLUWPQUINRNPS-ZIAGYGMSSA-N 2 2 294.399 0.814 20 0 CCADLP CO[C@@H]1C[N@H+](CC(C)C)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001212385324 897782408 /nfs/dbraw/zinc/78/24/08/897782408.db2.gz MGLUWPQUINRNPS-ZIAGYGMSSA-N 2 2 294.399 0.814 20 0 CCADLP CO[C@@H]1C[N@@H+](CC(C)C)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001212385324 897782417 /nfs/dbraw/zinc/78/24/17/897782417.db2.gz MGLUWPQUINRNPS-ZIAGYGMSSA-N 2 2 294.399 0.814 20 0 CCADLP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCCc1[nH+]ccn1C ZINC000094647978 897849303 /nfs/dbraw/zinc/84/93/03/897849303.db2.gz AYFQVXXEMQAOBW-MNOVXSKESA-N 2 2 250.346 0.467 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CCCO1 ZINC001078498114 898389263 /nfs/dbraw/zinc/38/92/63/898389263.db2.gz GMVVKYQDOIBGFK-GFCCVEGCSA-N 2 2 294.399 0.914 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CCCO1 ZINC001078502717 898396313 /nfs/dbraw/zinc/39/63/13/898396313.db2.gz NIFZJDULXWVDKL-CQSZACIVSA-N 2 2 294.399 0.580 20 0 CCADLP Cc1noc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C)n1 ZINC001486086304 898647657 /nfs/dbraw/zinc/64/76/57/898647657.db2.gz VWZVWCXTFSJXQO-PWSUYJOCSA-N 2 2 295.387 0.409 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC[C@H](C[NH2+]CCO)C1 ZINC001486202958 898711169 /nfs/dbraw/zinc/71/11/69/898711169.db2.gz RMPAFYXJFOSJIT-RYUDHWBXSA-N 2 2 280.372 0.209 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC[C@H](C[NH2+]CCO)C1 ZINC001486202958 898711179 /nfs/dbraw/zinc/71/11/79/898711179.db2.gz RMPAFYXJFOSJIT-RYUDHWBXSA-N 2 2 280.372 0.209 20 0 CCADLP CC(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001410160477 899246874 /nfs/dbraw/zinc/24/68/74/899246874.db2.gz SAZURWOMVMLUBA-ZSOGYDGISA-N 2 2 276.384 0.833 20 0 CCADLP CC(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001410160477 899246883 /nfs/dbraw/zinc/24/68/83/899246883.db2.gz SAZURWOMVMLUBA-ZSOGYDGISA-N 2 2 276.384 0.833 20 0 CCADLP C[C@@H](O)C[NH2+][C@H](C)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001410503753 899441045 /nfs/dbraw/zinc/44/10/45/899441045.db2.gz YRUFXCGUJPUJFN-VXGBXAGGSA-N 2 2 282.388 0.170 20 0 CCADLP Cc1ncc(C[NH2+][C@@H](C)CN(C)C(=O)Cn2cc[nH+]c2)o1 ZINC001410550237 899465263 /nfs/dbraw/zinc/46/52/63/899465263.db2.gz XEGUQJFSDFXMPR-NSHDSACASA-N 2 2 291.355 0.816 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001327089776 914366313 /nfs/dbraw/zinc/36/63/13/914366313.db2.gz NMCSQVTWAGFWOS-UWVGGRQHSA-N 2 2 261.329 0.192 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001327089776 914366327 /nfs/dbraw/zinc/36/63/27/914366327.db2.gz NMCSQVTWAGFWOS-UWVGGRQHSA-N 2 2 261.329 0.192 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001327089775 914368201 /nfs/dbraw/zinc/36/82/01/914368201.db2.gz NMCSQVTWAGFWOS-NXEZZACHSA-N 2 2 261.329 0.192 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001327089775 914368217 /nfs/dbraw/zinc/36/82/17/914368217.db2.gz NMCSQVTWAGFWOS-NXEZZACHSA-N 2 2 261.329 0.192 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CC[C@@H]1CCOC1 ZINC001134397689 899834313 /nfs/dbraw/zinc/83/43/13/899834313.db2.gz SVCALANRHJFQGY-LLVKDONJSA-N 2 2 266.345 0.085 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1C[C@@H]([NH2+]CCCO)C1 ZINC001488739815 900361404 /nfs/dbraw/zinc/36/14/04/900361404.db2.gz GSQFTIPIZKEUSM-BJHJDKERSA-N 2 2 280.372 0.209 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1C[C@@H]([NH2+]CCCO)C1 ZINC001488739815 900361417 /nfs/dbraw/zinc/36/14/17/900361417.db2.gz GSQFTIPIZKEUSM-BJHJDKERSA-N 2 2 280.372 0.209 20 0 CCADLP CC(C)OCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001489314797 900465137 /nfs/dbraw/zinc/46/51/37/900465137.db2.gz XCJXOYPGNHSYRR-KGLIPLIRSA-N 2 2 294.399 0.887 20 0 CCADLP CC(C)OCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001489314797 900465145 /nfs/dbraw/zinc/46/51/45/900465145.db2.gz XCJXOYPGNHSYRR-KGLIPLIRSA-N 2 2 294.399 0.887 20 0 CCADLP CN(C(=O)CCc1c[nH]c[nH+]1)C1CC[NH+](CCCO)CC1 ZINC001398184641 914561835 /nfs/dbraw/zinc/56/18/35/914561835.db2.gz JAZCPYBOINCRFQ-UHFFFAOYSA-N 2 2 294.399 0.648 20 0 CCADLP CN(C(=O)CCc1c[nH+]c[nH]1)C1CC[NH+](CCCO)CC1 ZINC001398184641 914561850 /nfs/dbraw/zinc/56/18/50/914561850.db2.gz JAZCPYBOINCRFQ-UHFFFAOYSA-N 2 2 294.399 0.648 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccc(C[NH+](C)C)o1 ZINC001412545521 901811585 /nfs/dbraw/zinc/81/15/85/901811585.db2.gz SYJJZKFVXNNYNJ-GFCCVEGCSA-N 2 2 294.399 0.317 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1ccc(C[NH+](C)C)o1 ZINC001412545521 901811593 /nfs/dbraw/zinc/81/15/93/901811593.db2.gz SYJJZKFVXNNYNJ-GFCCVEGCSA-N 2 2 294.399 0.317 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]C[C@@H]1CCOC1 ZINC001495784199 902190137 /nfs/dbraw/zinc/19/01/37/902190137.db2.gz HGUUXPAGXAZKFC-OLZOCXBDSA-N 2 2 294.399 0.341 20 0 CCADLP C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001327547264 914607538 /nfs/dbraw/zinc/60/75/38/914607538.db2.gz SYBVOKYKLSBHKY-NEPJUHHUSA-N 2 2 262.357 0.513 20 0 CCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNc1nc(N)[nH+]c(N)n1 ZINC001412906410 902350543 /nfs/dbraw/zinc/35/05/43/902350543.db2.gz RSQUKYTWMLIEER-JTQLQIEISA-N 2 2 271.328 0.635 20 0 CCADLP CC[NH+]1CCN(CC(C)(C)NC(=O)C[NH+](C)C)CC1 ZINC001413138370 902725582 /nfs/dbraw/zinc/72/55/82/902725582.db2.gz BGTFQXWXSNBMLI-UHFFFAOYSA-N 2 2 270.421 0.080 20 0 CCADLP CCn1nncc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001413132640 902728484 /nfs/dbraw/zinc/72/84/84/902728484.db2.gz LEAGXQGZBIBQSL-HUUCEWRRSA-N 2 2 293.415 0.765 20 0 CCADLP COCC[NH2+]C1CCC(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001491371030 903512136 /nfs/dbraw/zinc/51/21/36/903512136.db2.gz KRHAIJDXCXWDQJ-UHFFFAOYSA-N 2 2 294.399 0.626 20 0 CCADLP Cc1noc(C[NH2+][C@H](C)CNC(=O)Cn2c[nH+]cc2C)n1 ZINC001491530759 903645594 /nfs/dbraw/zinc/64/55/94/903645594.db2.gz YMFKRQHDPHLEIG-SECBINFHSA-N 2 2 292.343 0.177 20 0 CCADLP CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001150426473 903759857 /nfs/dbraw/zinc/75/98/57/903759857.db2.gz VFMONONQZNCKCA-TZMCWYRMSA-N 2 2 294.399 0.815 20 0 CCADLP CC[N@H+]1CCCO[C@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001150426473 903759867 /nfs/dbraw/zinc/75/98/67/903759867.db2.gz VFMONONQZNCKCA-TZMCWYRMSA-N 2 2 294.399 0.815 20 0 CCADLP CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001150426473 903759879 /nfs/dbraw/zinc/75/98/79/903759879.db2.gz VFMONONQZNCKCA-TZMCWYRMSA-N 2 2 294.399 0.815 20 0 CCADLP CC[N@H+]1CCCO[C@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001150426473 903759890 /nfs/dbraw/zinc/75/98/90/903759890.db2.gz VFMONONQZNCKCA-TZMCWYRMSA-N 2 2 294.399 0.815 20 0 CCADLP C([NH2+][C@@H]1CCC[NH2+]C1)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001246248789 904000929 /nfs/dbraw/zinc/00/09/29/904000929.db2.gz PCCNSZSSPDMZRR-CHWSQXEVSA-N 3 2 253.390 0.487 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@H](C[NH2+]CCCF)C1 ZINC001280660400 904136183 /nfs/dbraw/zinc/13/61/83/904136183.db2.gz XPOJCSBDGSYNCA-GFCCVEGCSA-N 2 2 298.362 0.437 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1CCF ZINC001316606098 904156882 /nfs/dbraw/zinc/15/68/82/904156882.db2.gz MMMTVCUUYAZCCL-LBPRGKRZSA-N 2 2 259.369 0.830 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1CCF ZINC001316606098 904156887 /nfs/dbraw/zinc/15/68/87/904156887.db2.gz MMMTVCUUYAZCCL-LBPRGKRZSA-N 2 2 259.369 0.830 20 0 CCADLP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1CCF ZINC001316606098 904156890 /nfs/dbraw/zinc/15/68/90/904156890.db2.gz MMMTVCUUYAZCCL-LBPRGKRZSA-N 2 2 259.369 0.830 20 0 CCADLP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1CCF ZINC001316606098 904156896 /nfs/dbraw/zinc/15/68/96/904156896.db2.gz MMMTVCUUYAZCCL-LBPRGKRZSA-N 2 2 259.369 0.830 20 0 CCADLP C[NH+](C)CCC(=O)NCC[N@H+](C)Cc1cncs1 ZINC001377253344 904727176 /nfs/dbraw/zinc/72/71/76/904727176.db2.gz AFQQNNUGYGAQPU-UHFFFAOYSA-N 2 2 270.402 0.643 20 0 CCADLP C[NH+](C)CCC(=O)NCC[N@@H+](C)Cc1cncs1 ZINC001377253344 904727182 /nfs/dbraw/zinc/72/71/82/904727182.db2.gz AFQQNNUGYGAQPU-UHFFFAOYSA-N 2 2 270.402 0.643 20 0 CCADLP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H]1CCC[N@H+](CCO)C1 ZINC001398792448 914846273 /nfs/dbraw/zinc/84/62/73/914846273.db2.gz MKAWFJZWLMKARY-RYUDHWBXSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H]1CCC[N@@H+](CCO)C1 ZINC001398792448 914846288 /nfs/dbraw/zinc/84/62/88/914846288.db2.gz MKAWFJZWLMKARY-RYUDHWBXSA-N 2 2 280.372 0.161 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CCC[N@H+]1CCCO ZINC001377397121 904843578 /nfs/dbraw/zinc/84/35/78/904843578.db2.gz HGWXVFXWZUFDBF-CYBMUJFWSA-N 2 2 280.372 0.236 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CCC[N@@H+]1CCCO ZINC001377397121 904843595 /nfs/dbraw/zinc/84/35/95/904843595.db2.gz HGWXVFXWZUFDBF-CYBMUJFWSA-N 2 2 280.372 0.236 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001377463098 904912004 /nfs/dbraw/zinc/91/20/04/904912004.db2.gz RGHSEWKVVPOMDV-QWHCGFSZSA-N 2 2 294.399 0.172 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001377463098 904912007 /nfs/dbraw/zinc/91/20/07/904912007.db2.gz RGHSEWKVVPOMDV-QWHCGFSZSA-N 2 2 294.399 0.172 20 0 CCADLP CCC[N@H+](CCNC(=O)Cn1cc[nH+]c1)C[C@@H]1CCOC1 ZINC001377507988 904949396 /nfs/dbraw/zinc/94/93/96/904949396.db2.gz CSENNLJOMDDNDV-AWEZNQCLSA-N 2 2 294.399 0.748 20 0 CCADLP CCC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)C[C@@H]1CCOC1 ZINC001377507988 904949413 /nfs/dbraw/zinc/94/94/13/904949413.db2.gz CSENNLJOMDDNDV-AWEZNQCLSA-N 2 2 294.399 0.748 20 0 CCADLP CC[C@H](C(=O)N(C)CC[NH2+][C@H](C)c1nnc(C)[nH]1)[NH+](C)C ZINC001377574054 905003882 /nfs/dbraw/zinc/00/38/82/905003882.db2.gz LXZVVRRXLADPQH-ZYHUDNBSSA-N 2 2 296.419 0.562 20 0 CCADLP CCCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001283771490 905010486 /nfs/dbraw/zinc/01/04/86/905010486.db2.gz QEJIAMBKPOCYLX-CHWSQXEVSA-N 2 2 294.399 0.312 20 0 CCADLP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C)c1csnn1 ZINC001377576105 905010735 /nfs/dbraw/zinc/01/07/35/905010735.db2.gz APHDCMDOLIQECL-CMPLNLGQSA-N 2 2 297.428 0.741 20 0 CCADLP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C)c1csnn1 ZINC001377576105 905010754 /nfs/dbraw/zinc/01/07/54/905010754.db2.gz APHDCMDOLIQECL-CMPLNLGQSA-N 2 2 297.428 0.741 20 0 CCADLP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C)c1ncccn1 ZINC001377577007 905012460 /nfs/dbraw/zinc/01/24/60/905012460.db2.gz CLVRAYCJWHLXDM-QWHCGFSZSA-N 2 2 291.399 0.680 20 0 CCADLP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C)c1ncccn1 ZINC001377577007 905012473 /nfs/dbraw/zinc/01/24/73/905012473.db2.gz CLVRAYCJWHLXDM-QWHCGFSZSA-N 2 2 291.399 0.680 20 0 CCADLP C[C@H]([NH2+]CCN(C)C(=O)CC[NH+](C)C)c1csnn1 ZINC001377594046 905036352 /nfs/dbraw/zinc/03/63/52/905036352.db2.gz QCSWUAQAUTWBTG-JTQLQIEISA-N 2 2 285.417 0.599 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC1C[NH+](C[C@H]2CCOC2)C1 ZINC001377935036 905254248 /nfs/dbraw/zinc/25/42/48/905254248.db2.gz APEZNUIHGGUYKD-GFCCVEGCSA-N 2 2 292.383 0.190 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CC1CC1 ZINC001336980094 921137642 /nfs/dbraw/zinc/13/76/42/921137642.db2.gz CPGDVUJUVQAMQQ-STQMWFEESA-N 2 2 269.389 0.341 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CC1CC1 ZINC001336980094 921137645 /nfs/dbraw/zinc/13/76/45/921137645.db2.gz CPGDVUJUVQAMQQ-STQMWFEESA-N 2 2 269.389 0.341 20 0 CCADLP CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)[NH2+]Cc1nc(C)no1 ZINC001378263826 905546355 /nfs/dbraw/zinc/54/63/55/905546355.db2.gz QGPNWKDVXKZJRR-VXGBXAGGSA-N 2 2 297.403 0.703 20 0 CCADLP CC[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]C[C@H]1CCOC1 ZINC001378300147 905573065 /nfs/dbraw/zinc/57/30/65/905573065.db2.gz ZPWXMJWENCTOEW-ZIAGYGMSSA-N 2 2 294.399 0.794 20 0 CCADLP CC[C@@H](C(=O)NC1(CCO)C[NH+](C(C)C)C1)[NH+](C)C ZINC001378358713 905609259 /nfs/dbraw/zinc/60/92/59/905609259.db2.gz VEMVAHQEZWRWLQ-LBPRGKRZSA-N 2 2 271.405 0.288 20 0 CCADLP COCC[N@H+](C)CCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001379085798 905989898 /nfs/dbraw/zinc/98/98/98/905989898.db2.gz YPCCKISGXQHDNX-ZDUSSCGKSA-N 2 2 294.399 0.482 20 0 CCADLP COCC[N@@H+](C)CCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001379085798 905989903 /nfs/dbraw/zinc/98/99/03/905989903.db2.gz YPCCKISGXQHDNX-ZDUSSCGKSA-N 2 2 294.399 0.482 20 0 CCADLP Cc1noc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001379101983 905996341 /nfs/dbraw/zinc/99/63/41/905996341.db2.gz ITHVZDPSWUFGMQ-ZYHUDNBSSA-N 2 2 295.387 0.409 20 0 CCADLP Cc1noc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001379101983 905996357 /nfs/dbraw/zinc/99/63/57/905996357.db2.gz ITHVZDPSWUFGMQ-ZYHUDNBSSA-N 2 2 295.387 0.409 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ncccn1 ZINC001379325913 906145580 /nfs/dbraw/zinc/14/55/80/906145580.db2.gz HMENECLGWBLFGC-ZDUSSCGKSA-N 2 2 293.415 0.753 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ncccn1 ZINC001379325913 906145584 /nfs/dbraw/zinc/14/55/84/906145584.db2.gz HMENECLGWBLFGC-ZDUSSCGKSA-N 2 2 293.415 0.753 20 0 CCADLP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]Cc1csnn1)[NH+](C)C ZINC001379447803 906246814 /nfs/dbraw/zinc/24/68/14/906246814.db2.gz GNRUOSAGJGBTHG-ZYHUDNBSSA-N 2 2 299.444 0.719 20 0 CCADLP C[C@H](O)C[NH2+]C1CC(N(C)C(=O)CCCn2cc[nH+]c2)C1 ZINC001380184795 906667510 /nfs/dbraw/zinc/66/75/10/906667510.db2.gz YIVGPCBUHLVJND-HSBZDZAISA-N 2 2 294.399 0.623 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001380302090 906721486 /nfs/dbraw/zinc/72/14/86/906721486.db2.gz SJNJZRSCMCQKSL-KGLIPLIRSA-N 2 2 294.399 0.625 20 0 CCADLP CC(C)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001380564781 906824375 /nfs/dbraw/zinc/82/43/75/906824375.db2.gz LZJKMIVPPFGNLK-OAHLLOKOSA-N 2 2 294.399 0.172 20 0 CCADLP CC(C)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001380564781 906824382 /nfs/dbraw/zinc/82/43/82/906824382.db2.gz LZJKMIVPPFGNLK-OAHLLOKOSA-N 2 2 294.399 0.172 20 0 CCADLP CC[C@@H](C)C[N@@H+]1CCOC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001380832000 906955250 /nfs/dbraw/zinc/95/52/50/906955250.db2.gz MTKFLWOFLOQGCA-KGLIPLIRSA-N 2 2 294.399 0.746 20 0 CCADLP CC[C@@H](C)C[N@H+]1CCOC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001380832000 906955270 /nfs/dbraw/zinc/95/52/70/906955270.db2.gz MTKFLWOFLOQGCA-KGLIPLIRSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@H]1C[N@H+](CCNc2nccnc2C[NH3+])CCO1 ZINC001337756157 921290645 /nfs/dbraw/zinc/29/06/45/921290645.db2.gz CHLWJCYOLTYMPA-JTQLQIEISA-N 2 2 251.334 0.068 20 0 CCADLP C[C@H]1C[N@@H+](CCNc2nccnc2C[NH3+])CCO1 ZINC001337756157 921290650 /nfs/dbraw/zinc/29/06/50/921290650.db2.gz CHLWJCYOLTYMPA-JTQLQIEISA-N 2 2 251.334 0.068 20 0 CCADLP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cnsn1 ZINC001491568603 907436963 /nfs/dbraw/zinc/43/69/63/907436963.db2.gz LDINHDSHQIJILP-SECBINFHSA-N 2 2 271.390 0.084 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1nncs1 ZINC001491681684 907496132 /nfs/dbraw/zinc/49/61/32/907496132.db2.gz GHTNHAZHSKKKCM-SNVBAGLBSA-N 2 2 285.417 0.473 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1nncs1 ZINC001491681684 907496142 /nfs/dbraw/zinc/49/61/42/907496142.db2.gz GHTNHAZHSKKKCM-SNVBAGLBSA-N 2 2 285.417 0.473 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccns1 ZINC001491693073 907506897 /nfs/dbraw/zinc/50/68/97/907506897.db2.gz CFHJJGCWHDGTNX-SNVBAGLBSA-N 2 2 279.369 0.634 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N(C)C[C@@H](C)[NH2+]CCO ZINC001382094581 907544132 /nfs/dbraw/zinc/54/41/32/907544132.db2.gz ZHDUHZSWFDAKRR-LLVKDONJSA-N 2 2 281.356 0.062 20 0 CCADLP COCC[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001491858076 907609124 /nfs/dbraw/zinc/60/91/24/907609124.db2.gz AQHPAEGEYPWSIT-CQSZACIVSA-N 2 2 294.399 0.748 20 0 CCADLP COCC[N@H+](CCF)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001382535754 907780827 /nfs/dbraw/zinc/78/08/27/907780827.db2.gz ALSGXYRTDOKCLO-CHWSQXEVSA-N 2 2 289.395 0.361 20 0 CCADLP COCC[N@@H+](CCF)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001382535754 907780834 /nfs/dbraw/zinc/78/08/34/907780834.db2.gz ALSGXYRTDOKCLO-CHWSQXEVSA-N 2 2 289.395 0.361 20 0 CCADLP COCC[NH+](CCF)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001382535754 907780839 /nfs/dbraw/zinc/78/08/39/907780839.db2.gz ALSGXYRTDOKCLO-CHWSQXEVSA-N 2 2 289.395 0.361 20 0 CCADLP COCC[NH+](CCF)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001382535754 907780843 /nfs/dbraw/zinc/78/08/43/907780843.db2.gz ALSGXYRTDOKCLO-CHWSQXEVSA-N 2 2 289.395 0.361 20 0 CCADLP C[NH+](C)C1(CNC(=O)Cc2[nH]cc[nH+]2)CCOCC1 ZINC001328328478 908661966 /nfs/dbraw/zinc/66/19/66/908661966.db2.gz CSMRIOZAQCXNOG-UHFFFAOYSA-N 2 2 266.345 0.179 20 0 CCADLP CC(C)[NH2+][C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001317024999 908927914 /nfs/dbraw/zinc/92/79/14/908927914.db2.gz AFKDZHIDLMDGRH-NSHDSACASA-N 2 2 250.346 0.845 20 0 CCADLP C[C@@H](O)CCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001317064945 908954705 /nfs/dbraw/zinc/95/47/05/908954705.db2.gz MCUIQHPVBIBKRA-NEPJUHHUSA-N 2 2 280.372 0.304 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCCC[C@@H]1C[NH2+]CCCO ZINC001317187761 909037476 /nfs/dbraw/zinc/03/74/76/909037476.db2.gz DAVWKMUBWWDZSV-CQSZACIVSA-N 2 2 294.399 0.626 20 0 CCADLP COCCC[NH2+][C@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001317249855 909089531 /nfs/dbraw/zinc/08/95/31/909089531.db2.gz BGBVDFQNFDOBQO-OLZOCXBDSA-N 2 2 294.399 0.576 20 0 CCADLP C[C@@H](CC(=O)N(C)C[C@H]1CC[N@@H+]1CCO)n1cc[nH+]c1 ZINC001388654114 909534051 /nfs/dbraw/zinc/53/40/51/909534051.db2.gz XWZMKMOSGZNYDR-QWHCGFSZSA-N 2 2 280.372 0.359 20 0 CCADLP C[C@@H](CC(=O)N(C)C[C@H]1CC[N@H+]1CCO)n1cc[nH+]c1 ZINC001388654114 909534066 /nfs/dbraw/zinc/53/40/66/909534066.db2.gz XWZMKMOSGZNYDR-QWHCGFSZSA-N 2 2 280.372 0.359 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NC[C@H]1C[C@H]([NH2+]CCF)C1 ZINC001388722175 909566047 /nfs/dbraw/zinc/56/60/47/909566047.db2.gz CCWZWGHVYRIDKW-HAQNSBGRSA-N 2 2 282.363 0.807 20 0 CCADLP COCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001319209307 910037958 /nfs/dbraw/zinc/03/79/58/910037958.db2.gz OQOVJPBUFXHIRX-CHWSQXEVSA-N 2 2 294.399 0.434 20 0 CCADLP CC[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CCCC1 ZINC001319377125 910122704 /nfs/dbraw/zinc/12/27/04/910122704.db2.gz JFZGQCXRSMCAIB-UHFFFAOYSA-N 2 2 250.346 0.991 20 0 CCADLP C[C@H](C[NH2+]CCC[C@H](C)O)N(C)C(=O)Cc1c[nH+]cn1C ZINC001319559334 910205855 /nfs/dbraw/zinc/20/58/55/910205855.db2.gz DQJHNMIZPNJEHM-OLZOCXBDSA-N 2 2 296.415 0.560 20 0 CCADLP C[C@H](C(=O)NCCOCC[NH+](C)C)n1cc[nH+]c1 ZINC001320377925 910644470 /nfs/dbraw/zinc/64/44/70/910644470.db2.gz QLYFSIFNDADJQZ-LLVKDONJSA-N 2 2 254.334 0.139 20 0 CCADLP C[C@H](CC[NH2+]Cc1cncn1C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001320563933 910744583 /nfs/dbraw/zinc/74/45/83/910744583.db2.gz PXXOQAALCPRLQA-LLVKDONJSA-N 2 2 290.371 0.370 20 0 CCADLP CCc1nnc([C@H](C)[NH2+]CCN(C)C(=O)CC[NH+](C)C)o1 ZINC001391220092 910982821 /nfs/dbraw/zinc/98/28/21/910982821.db2.gz OTBNELMFCUBKJV-NSHDSACASA-N 2 2 297.403 0.693 20 0 CCADLP CC(C)[C@@H](C(=O)NC1C[NH+](C[C@H]2CCCCO2)C1)[NH+](C)C ZINC001391418191 911118005 /nfs/dbraw/zinc/11/80/05/911118005.db2.gz DXSMJCAXDRFQHF-CABCVRRESA-N 2 2 297.443 0.942 20 0 CCADLP C[C@@H](CC(=O)NC1C[NH+](C[C@@H]2CCOC2)C1)n1cc[nH+]c1 ZINC001391447676 911139213 /nfs/dbraw/zinc/13/92/13/911139213.db2.gz LZWCUZKQXBLURL-STQMWFEESA-N 2 2 292.383 0.671 20 0 CCADLP CN(C)c1ncc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)s1 ZINC001414069444 911407522 /nfs/dbraw/zinc/40/75/22/911407522.db2.gz FMXRQGBZUSPIPZ-LLVKDONJSA-N 2 2 284.429 0.755 20 0 CCADLP C[C@@H](C[NH2+]CCCO)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001321894739 911558980 /nfs/dbraw/zinc/55/89/80/911558980.db2.gz ARQIXRJBFKOQTA-JTQLQIEISA-N 2 2 276.340 0.653 20 0 CCADLP C[C@@H](C[NH2+]CC1CCOCC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001392104649 911579000 /nfs/dbraw/zinc/57/90/00/911579000.db2.gz BUGYRQSNZVCHCU-LBPRGKRZSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H]([NH2+]CCO)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001392183850 911618805 /nfs/dbraw/zinc/61/88/05/911618805.db2.gz MODCNPAUBOCBFC-KGLIPLIRSA-N 2 2 294.399 0.482 20 0 CCADLP C[C@@H]([NH2+]CCO)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001392183856 911620220 /nfs/dbraw/zinc/62/02/20/911620220.db2.gz MODCNPAUBOCBFC-ZIAGYGMSSA-N 2 2 294.399 0.482 20 0 CCADLP CC(C)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001392378458 911767191 /nfs/dbraw/zinc/76/71/91/911767191.db2.gz GBOWOMAUABJTAS-OCCSQVGLSA-N 2 2 294.399 0.168 20 0 CCADLP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001392455227 911813592 /nfs/dbraw/zinc/81/35/92/911813592.db2.gz RTJMECWUTRNUIQ-VXGBXAGGSA-N 2 2 295.387 0.146 20 0 CCADLP Cc1ncoc1C[NH2+]CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001322854025 911989444 /nfs/dbraw/zinc/98/94/44/911989444.db2.gz JFVCPOOPMIQFCQ-UHFFFAOYSA-N 2 2 291.355 0.818 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001399238718 915088348 /nfs/dbraw/zinc/08/83/48/915088348.db2.gz QKAREBAKHXDUJZ-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP COC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001399581983 915244252 /nfs/dbraw/zinc/24/42/52/915244252.db2.gz QDCYRWPACXKVQK-JHJVBQTASA-N 2 2 294.399 0.607 20 0 CCADLP COC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001399581983 915244259 /nfs/dbraw/zinc/24/42/59/915244259.db2.gz QDCYRWPACXKVQK-JHJVBQTASA-N 2 2 294.399 0.607 20 0 CCADLP CC[C@@]1(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC[NH2+]C1 ZINC001328593730 915296783 /nfs/dbraw/zinc/29/67/83/915296783.db2.gz NMDBZQAHNKSVNY-GXTWGEPZSA-N 2 2 269.389 0.213 20 0 CCADLP CC[C@@]1(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC[NH2+]C1 ZINC001328593730 915296795 /nfs/dbraw/zinc/29/67/95/915296795.db2.gz NMDBZQAHNKSVNY-GXTWGEPZSA-N 2 2 269.389 0.213 20 0 CCADLP CC[C@H](C(=O)NCC1C[NH+](Cc2ccnn2C)C1)[NH+](C)C ZINC001400542181 915802679 /nfs/dbraw/zinc/80/26/79/915802679.db2.gz KOZXAAKSINQIMI-CQSZACIVSA-N 2 2 293.415 0.308 20 0 CCADLP Cn1ncnc1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC001329579933 916031306 /nfs/dbraw/zinc/03/13/06/916031306.db2.gz RTYDGJHSSMGFTG-YPMHNXCESA-N 2 2 265.361 0.143 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC001330593502 916725867 /nfs/dbraw/zinc/72/58/67/916725867.db2.gz QELMHZRFESDFNH-KOABKASLSA-N 2 2 281.400 0.379 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC001330593502 916725875 /nfs/dbraw/zinc/72/58/75/916725875.db2.gz QELMHZRFESDFNH-KOABKASLSA-N 2 2 281.400 0.379 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+](C)CC1(O)CCOCC1 ZINC001330653600 916769681 /nfs/dbraw/zinc/76/96/81/916769681.db2.gz BHNGSAOHICMJRF-UHFFFAOYSA-N 2 2 253.346 0.436 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+](C)CC1(O)CCOCC1 ZINC001330653600 916769689 /nfs/dbraw/zinc/76/96/89/916769689.db2.gz BHNGSAOHICMJRF-UHFFFAOYSA-N 2 2 253.346 0.436 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@]1(C)CC[N@H+](CCCO)C1 ZINC001402136571 916831205 /nfs/dbraw/zinc/83/12/05/916831205.db2.gz SEXDRTMIHXSXKF-OAHLLOKOSA-N 2 2 294.399 0.316 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@]1(C)CC[N@@H+](CCCO)C1 ZINC001402136571 916831211 /nfs/dbraw/zinc/83/12/11/916831211.db2.gz SEXDRTMIHXSXKF-OAHLLOKOSA-N 2 2 294.399 0.316 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]1(C)CC[N@H+](CCCO)C1 ZINC001402142275 916834283 /nfs/dbraw/zinc/83/42/83/916834283.db2.gz QUGRKSCDMOMXFM-IUODEOHRSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]1(C)CC[N@@H+](CCCO)C1 ZINC001402142275 916834295 /nfs/dbraw/zinc/83/42/95/916834295.db2.gz QUGRKSCDMOMXFM-IUODEOHRSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]1(C)CC[N@H+](CCCO)C1 ZINC001402142275 916834304 /nfs/dbraw/zinc/83/43/04/916834304.db2.gz QUGRKSCDMOMXFM-IUODEOHRSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]1(C)CC[N@@H+](CCCO)C1 ZINC001402142275 916834315 /nfs/dbraw/zinc/83/43/15/916834315.db2.gz QUGRKSCDMOMXFM-IUODEOHRSA-N 2 2 294.399 0.551 20 0 CCADLP CC[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CCOCC1 ZINC001402237357 916886312 /nfs/dbraw/zinc/88/63/12/916886312.db2.gz JMWWJHUMLPYZPV-UHFFFAOYSA-N 2 2 280.372 0.238 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1(O)C[NH+](CCC2CC2)C1 ZINC001402332416 916964011 /nfs/dbraw/zinc/96/40/11/916964011.db2.gz FVKDWBYGILLITO-CQSZACIVSA-N 2 2 295.427 0.434 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC1(O)C[NH+](CCC2CC2)C1 ZINC001402332416 916964019 /nfs/dbraw/zinc/96/40/19/916964019.db2.gz FVKDWBYGILLITO-CQSZACIVSA-N 2 2 295.427 0.434 20 0 CCADLP CC(C)C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1)n1cc[nH+]c1 ZINC001402589595 917112156 /nfs/dbraw/zinc/11/21/56/917112156.db2.gz KVTYAGSHOKRESU-HZSPNIEDSA-N 2 2 294.399 0.699 20 0 CCADLP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+](Cc2cnon2)C1 ZINC001402668308 917165422 /nfs/dbraw/zinc/16/54/22/917165422.db2.gz RAGGMTUYJRENOB-LBPRGKRZSA-N 2 2 295.387 0.350 20 0 CCADLP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cnon2)C1 ZINC001402668308 917165434 /nfs/dbraw/zinc/16/54/34/917165434.db2.gz RAGGMTUYJRENOB-LBPRGKRZSA-N 2 2 295.387 0.350 20 0 CCADLP CCC[NH2+][C@]1(CO)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001402713650 917189590 /nfs/dbraw/zinc/18/95/90/917189590.db2.gz FXRDLFFVBSCFPS-CQSZACIVSA-N 2 2 280.372 0.305 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001402777539 917223558 /nfs/dbraw/zinc/22/35/58/917223558.db2.gz JXLYTMHLJOACPW-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001402777539 917223572 /nfs/dbraw/zinc/22/35/72/917223572.db2.gz JXLYTMHLJOACPW-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP CC[NH+]1CCC(CO)(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001402879561 917313517 /nfs/dbraw/zinc/31/35/17/917313517.db2.gz SXLXUEWXGQJYFU-UHFFFAOYSA-N 2 2 280.372 0.236 20 0 CCADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1c[nH+]cn1C ZINC001331423068 917321015 /nfs/dbraw/zinc/32/10/15/917321015.db2.gz VWDMLHOHUMXKOT-LBPRGKRZSA-N 2 2 267.377 0.935 20 0 CCADLP COC[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001331563730 917419810 /nfs/dbraw/zinc/41/98/10/917419810.db2.gz HFVBPUQHBYTMQU-QWRGUYRKSA-N 2 2 268.361 0.424 20 0 CCADLP Cc1ncoc1C[NH2+][C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001403071476 917456291 /nfs/dbraw/zinc/45/62/91/917456291.db2.gz AJUGYRHAPXCXRI-SNVBAGLBSA-N 2 2 291.355 0.554 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001403224479 917599804 /nfs/dbraw/zinc/59/98/04/917599804.db2.gz OZXKAIBPXYNKKL-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001403224479 917599815 /nfs/dbraw/zinc/59/98/15/917599815.db2.gz OZXKAIBPXYNKKL-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H](O)C[NH2+]CC1(NC(=O)Cn2cc[nH+]c2)CCCCC1 ZINC001403257549 917617588 /nfs/dbraw/zinc/61/75/88/917617588.db2.gz BDFWCOJTUWGSIE-CYBMUJFWSA-N 2 2 294.399 0.673 20 0 CCADLP COCC[NH+]1CC([C@H](C)NC(=O)CCc2[nH+]ccn2C)C1 ZINC001403309682 917640990 /nfs/dbraw/zinc/64/09/90/917640990.db2.gz GBLALWPZDALXKA-LBPRGKRZSA-N 2 2 294.399 0.436 20 0 CCADLP COCCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001332033750 917813135 /nfs/dbraw/zinc/81/31/35/917813135.db2.gz WGVQCCREDUCZAS-QWHCGFSZSA-N 2 2 294.399 0.958 20 0 CCADLP COCCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC001332065355 917837111 /nfs/dbraw/zinc/83/71/11/917837111.db2.gz RKROOBRBDOUWIX-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP Cc1cc(C[NH+](C)CCNC(=O)C[N@H+]2CC[C@@H](C)C2)on1 ZINC001403681302 917917279 /nfs/dbraw/zinc/91/72/79/917917279.db2.gz IVJWQFHYMMIFDZ-GFCCVEGCSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1cc(C[NH+](C)CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)on1 ZINC001403681302 917917289 /nfs/dbraw/zinc/91/72/89/917917289.db2.gz IVJWQFHYMMIFDZ-GFCCVEGCSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1cc(C[N@H+](C)CCNC(=O)C[NH+]2CC[C@@H](C)C2)on1 ZINC001403681302 917917308 /nfs/dbraw/zinc/91/73/08/917917308.db2.gz IVJWQFHYMMIFDZ-GFCCVEGCSA-N 2 2 294.399 0.873 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[C@@H](C[NH2+]CCCO)C1 ZINC001332305823 918034967 /nfs/dbraw/zinc/03/49/67/918034967.db2.gz ASVMQWZIJMZBGL-NEPJUHHUSA-N 2 2 280.372 0.209 20 0 CCADLP CC[C@H](F)C[N@H+](CC)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001403850016 918065235 /nfs/dbraw/zinc/06/52/35/918065235.db2.gz YWWPJTDRWDCKKF-QWHCGFSZSA-N 2 2 289.395 0.503 20 0 CCADLP CC[C@H](F)C[N@@H+](CC)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001403850016 918065248 /nfs/dbraw/zinc/06/52/48/918065248.db2.gz YWWPJTDRWDCKKF-QWHCGFSZSA-N 2 2 289.395 0.503 20 0 CCADLP CC[C@H](F)C[NH+](CC)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001403850016 918065264 /nfs/dbraw/zinc/06/52/64/918065264.db2.gz YWWPJTDRWDCKKF-QWHCGFSZSA-N 2 2 289.395 0.503 20 0 CCADLP CC[C@H](F)C[NH+](CC)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001403850016 918065276 /nfs/dbraw/zinc/06/52/76/918065276.db2.gz YWWPJTDRWDCKKF-QWHCGFSZSA-N 2 2 289.395 0.503 20 0 CCADLP CN(C[C@@H](O)C[NH2+]CC1CCCC1)C(=O)Cn1cc[nH+]c1 ZINC001403885042 918085701 /nfs/dbraw/zinc/08/57/01/918085701.db2.gz RDFHSTJVXSHZDO-AWEZNQCLSA-N 2 2 294.399 0.482 20 0 CCADLP CC(C)C[NH+]1CC(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001404838602 918484622 /nfs/dbraw/zinc/48/46/22/918484622.db2.gz OXGYSIDWMZXQGY-CYBMUJFWSA-N 2 2 283.416 0.411 20 0 CCADLP C[C@H](O)CCC[NH+]1CC(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001404924172 918520351 /nfs/dbraw/zinc/52/03/51/918520351.db2.gz RNLXLKZJPWQXNL-LBPRGKRZSA-N 2 2 294.399 0.172 20 0 CCADLP Cc1ncc(C[NH+]2CC(CNC(=O)C[N@@H+](C)C(C)C)C2)o1 ZINC001404955117 918530490 /nfs/dbraw/zinc/53/04/90/918530490.db2.gz ZEXLNUHXTWQLAV-UHFFFAOYSA-N 2 2 294.399 0.871 20 0 CCADLP Cc1ncc(C[NH+]2CC(CNC(=O)C[N@H+](C)C(C)C)C2)o1 ZINC001404955117 918530498 /nfs/dbraw/zinc/53/04/98/918530498.db2.gz ZEXLNUHXTWQLAV-UHFFFAOYSA-N 2 2 294.399 0.871 20 0 CCADLP COCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCn1cc[nH+]c1 ZINC001404986869 918554056 /nfs/dbraw/zinc/55/40/56/918554056.db2.gz OEEFJJOSGRXTAX-KBPBESRZSA-N 2 2 292.383 0.595 20 0 CCADLP COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCn1cc[nH+]c1 ZINC001404986869 918554067 /nfs/dbraw/zinc/55/40/67/918554067.db2.gz OEEFJJOSGRXTAX-KBPBESRZSA-N 2 2 292.383 0.595 20 0 CCADLP Cc1cnc(C[N@H+]2CC[C@H](N(C)C(=O)CC[NH+](C)C)C2)o1 ZINC001405126616 918612892 /nfs/dbraw/zinc/61/28/92/918612892.db2.gz UBRBMCBCQCMPCK-ZDUSSCGKSA-N 2 2 294.399 0.967 20 0 CCADLP Cc1cnc(C[N@@H+]2CC[C@H](N(C)C(=O)CC[NH+](C)C)C2)o1 ZINC001405126616 918612899 /nfs/dbraw/zinc/61/28/99/918612899.db2.gz UBRBMCBCQCMPCK-ZDUSSCGKSA-N 2 2 294.399 0.967 20 0 CCADLP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC001405136775 918618994 /nfs/dbraw/zinc/61/89/94/918618994.db2.gz ZPIIKGASNPLDFE-CQSZACIVSA-N 2 2 293.415 0.405 20 0 CCADLP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001405136775 918619005 /nfs/dbraw/zinc/61/90/05/918619005.db2.gz ZPIIKGASNPLDFE-CQSZACIVSA-N 2 2 293.415 0.405 20 0 CCADLP CN(C(=O)CC[NH+]1CCOCC1)[C@H]1CC[N@H+](CCF)C1 ZINC001405134077 918620023 /nfs/dbraw/zinc/62/00/23/918620023.db2.gz YOPROSMYLIDOTK-ZDUSSCGKSA-N 2 2 287.379 0.211 20 0 CCADLP CN(C(=O)CC[NH+]1CCOCC1)[C@H]1CC[N@@H+](CCF)C1 ZINC001405134077 918620030 /nfs/dbraw/zinc/62/00/30/918620030.db2.gz YOPROSMYLIDOTK-ZDUSSCGKSA-N 2 2 287.379 0.211 20 0 CCADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC001333338450 918819877 /nfs/dbraw/zinc/81/98/77/918819877.db2.gz ZAWMVJSWAYRHDE-HUZDROCFSA-N 2 2 281.400 0.235 20 0 CCADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC001333338450 918819890 /nfs/dbraw/zinc/81/98/90/918819890.db2.gz ZAWMVJSWAYRHDE-HUZDROCFSA-N 2 2 281.400 0.235 20 0 CCADLP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1csnn1)[NH+](C)C ZINC001405832391 918935352 /nfs/dbraw/zinc/93/53/52/918935352.db2.gz LOSJAPOLEAGJNZ-ZYHUDNBSSA-N 2 2 299.444 0.815 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CCc1[nH+]ccn1C ZINC001405849067 918943350 /nfs/dbraw/zinc/94/33/50/918943350.db2.gz OGGIQOWWAYTWAY-CHWSQXEVSA-N 2 2 296.415 0.824 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnsn1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001405902897 918965151 /nfs/dbraw/zinc/96/51/51/918965151.db2.gz VUDKURTVUUVQHR-QWRGUYRKSA-N 2 2 297.428 0.426 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnsn1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001405902897 918965164 /nfs/dbraw/zinc/96/51/64/918965164.db2.gz VUDKURTVUUVQHR-QWRGUYRKSA-N 2 2 297.428 0.426 20 0 CCADLP CC(C)C[NH2+]C[C@H](O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001406234017 919129491 /nfs/dbraw/zinc/12/94/91/919129491.db2.gz ARNIOFQDKWVQQK-LBPRGKRZSA-N 2 2 290.367 0.899 20 0 CCADLP CO[C@@H](C)C[N@H+](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001406699145 919437066 /nfs/dbraw/zinc/43/70/66/919437066.db2.gz QZGUORZCABAKNF-MNOVXSKESA-N 2 2 282.388 0.732 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001406699145 919437072 /nfs/dbraw/zinc/43/70/72/919437072.db2.gz QZGUORZCABAKNF-MNOVXSKESA-N 2 2 282.388 0.732 20 0 CCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H]1CC[N@@H+]1CCO ZINC001406825276 919483663 /nfs/dbraw/zinc/48/36/63/919483663.db2.gz HASFGJSNNMRGMT-STQMWFEESA-N 2 2 294.399 0.579 20 0 CCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H]1CC[N@H+]1CCO ZINC001406825276 919483676 /nfs/dbraw/zinc/48/36/76/919483676.db2.gz HASFGJSNNMRGMT-STQMWFEESA-N 2 2 294.399 0.579 20 0 CCADLP CC(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001407099703 919613403 /nfs/dbraw/zinc/61/34/03/919613403.db2.gz WVJKFSOHTCAQJL-UONOGXRCSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001407099703 919613408 /nfs/dbraw/zinc/61/34/08/919613408.db2.gz WVJKFSOHTCAQJL-UONOGXRCSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H](CC(=O)N(C)CCC[N@@H+](C)C[C@H](C)O)n1cc[nH+]c1 ZINC001407921096 919957360 /nfs/dbraw/zinc/95/73/60/919957360.db2.gz PHVLISCKOQIFRI-KGLIPLIRSA-N 2 2 296.415 0.995 20 0 CCADLP C[C@H](CC(=O)N(C)CCC[N@H+](C)C[C@H](C)O)n1cc[nH+]c1 ZINC001407921096 919957381 /nfs/dbraw/zinc/95/73/81/919957381.db2.gz PHVLISCKOQIFRI-KGLIPLIRSA-N 2 2 296.415 0.995 20 0 CCADLP C[C@@H](CCCC[NH3+])NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336131997 920624514 /nfs/dbraw/zinc/62/45/14/920624514.db2.gz CQEYRXKRIDRFFT-LBPRGKRZSA-N 3 2 285.436 0.226 20 0 CCADLP CC(C)OC[C@H](O)C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC001336762603 920987824 /nfs/dbraw/zinc/98/78/24/920987824.db2.gz FQOIDOHMTPAYCT-CHWSQXEVSA-N 2 2 255.362 0.895 20 0 CCADLP COCCOC[C@H](O)C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001336801699 921021264 /nfs/dbraw/zinc/02/12/64/921021264.db2.gz OTOCDXCBIKQKHH-QLFBSQMISA-N 2 2 286.416 0.617 20 0 CCADLP COCCOC[C@H](O)C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001336801699 921021277 /nfs/dbraw/zinc/02/12/77/921021277.db2.gz OTOCDXCBIKQKHH-QLFBSQMISA-N 2 2 286.416 0.617 20 0 CCADLP Cc1nonc1C[NH2+][C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001418239348 921952428 /nfs/dbraw/zinc/95/24/28/921952428.db2.gz ZTAPPOAMUBHFSS-SNVBAGLBSA-N 2 2 295.387 0.457 20 0 CCADLP O=C(NCc1ccn2cc[nH+]c2c1)C12CC(C1)C[NH2+]2 ZINC001340222557 922014306 /nfs/dbraw/zinc/01/43/06/922014306.db2.gz MRPCGSUMKJKZOJ-UHFFFAOYSA-N 2 2 256.309 0.703 20 0 CCADLP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ncccn1 ZINC001418313893 922015064 /nfs/dbraw/zinc/01/50/64/922015064.db2.gz GNIWHDLUZOOKTG-LBPRGKRZSA-N 2 2 277.372 0.167 20 0 CCADLP C[N@H+](CCCO)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001418371605 922058243 /nfs/dbraw/zinc/05/82/43/922058243.db2.gz IKALHOQKUWAGRZ-CQSZACIVSA-N 2 2 294.399 0.578 20 0 CCADLP C[N@@H+](CCCO)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001418371605 922058258 /nfs/dbraw/zinc/05/82/58/922058258.db2.gz IKALHOQKUWAGRZ-CQSZACIVSA-N 2 2 294.399 0.578 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@H]1CSCC[NH2+]1 ZINC001340399992 922078518 /nfs/dbraw/zinc/07/85/18/922078518.db2.gz NSBLHUUMQMRMHM-JTQLQIEISA-N 2 2 268.386 0.472 20 0 CCADLP CC[N@H+](CCNC(=O)C[C@H](C)n1cc[nH+]c1)[C@H](C)C(N)=O ZINC001418562613 922258647 /nfs/dbraw/zinc/25/86/47/922258647.db2.gz ABBQHYTWVIRVNC-NWDGAFQWSA-N 2 2 295.387 0.146 20 0 CCADLP CC[N@@H+](CCNC(=O)C[C@H](C)n1cc[nH+]c1)[C@H](C)C(N)=O ZINC001418562613 922258658 /nfs/dbraw/zinc/25/86/58/922258658.db2.gz ABBQHYTWVIRVNC-NWDGAFQWSA-N 2 2 295.387 0.146 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC001341145474 922356127 /nfs/dbraw/zinc/35/61/27/922356127.db2.gz BHSDLWDZBSQHNG-MVWJERBFSA-N 2 2 250.346 0.974 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC001341145474 922356139 /nfs/dbraw/zinc/35/61/39/922356139.db2.gz BHSDLWDZBSQHNG-MVWJERBFSA-N 2 2 250.346 0.974 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C[NH3+] ZINC001341265064 922400191 /nfs/dbraw/zinc/40/01/91/922400191.db2.gz SSSRGFWBWXGXDF-GRYCIOLGSA-N 2 2 262.357 0.499 20 0 CCADLP [NH3+]CC1(CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001341306275 922415386 /nfs/dbraw/zinc/41/53/86/922415386.db2.gz QINDPLKZINGUEH-LLVKDONJSA-N 2 2 262.357 0.691 20 0 CCADLP CNC(=O)C1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC001341423949 922479716 /nfs/dbraw/zinc/47/97/16/922479716.db2.gz GYYDYJRKFYHKRD-UHFFFAOYSA-N 2 2 250.346 0.650 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)CC1(C[NH3+])CC1 ZINC001341751090 922654317 /nfs/dbraw/zinc/65/43/17/922654317.db2.gz AONYFJFHRQODBU-LBPRGKRZSA-N 2 2 269.389 0.342 20 0 CCADLP Cc1[nH+]ccn1CCN1CCN(C)CC[N@@H+](C)CC1 ZINC001342310855 922909294 /nfs/dbraw/zinc/90/92/94/922909294.db2.gz WKAWMOFPKFZJIK-UHFFFAOYSA-N 2 2 265.405 0.371 20 0 CCADLP Cc1[nH+]ccn1CCN1CCN(C)CC[N@H+](C)CC1 ZINC001342310855 922909298 /nfs/dbraw/zinc/90/92/98/922909298.db2.gz WKAWMOFPKFZJIK-UHFFFAOYSA-N 2 2 265.405 0.371 20 0 CCADLP C[C@@H](CC(=O)N1CCC[C@]([NH3+])(CO)C1)n1cc[nH+]c1 ZINC001342722070 923068238 /nfs/dbraw/zinc/06/82/38/923068238.db2.gz HAISXYDHSAOLQD-WCQYABFASA-N 2 2 266.345 0.146 20 0 CCADLP COCC[N@H+](C)CCN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001419977729 923207438 /nfs/dbraw/zinc/20/74/38/923207438.db2.gz OIXAIXRVHKRKOF-UHFFFAOYSA-N 2 2 298.387 0.386 20 0 CCADLP COCC[N@@H+](C)CCN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001419977729 923207453 /nfs/dbraw/zinc/20/74/53/923207453.db2.gz OIXAIXRVHKRKOF-UHFFFAOYSA-N 2 2 298.387 0.386 20 0 CCADLP CN(CC[N@H+](C)Cc1ccnn1C)C(=O)[C@H]1CCC[NH+]1C ZINC001420001414 923228078 /nfs/dbraw/zinc/22/80/78/923228078.db2.gz XFEPYWBRMOFOOI-CQSZACIVSA-N 2 2 293.415 0.405 20 0 CCADLP CN(CC[N@@H+](C)Cc1ccnn1C)C(=O)[C@H]1CCC[NH+]1C ZINC001420001414 923228092 /nfs/dbraw/zinc/22/80/92/923228092.db2.gz XFEPYWBRMOFOOI-CQSZACIVSA-N 2 2 293.415 0.405 20 0 CCADLP CN(CC[NH+](C)Cc1ccnn1C)C(=O)[C@H]1CCC[N@H+]1C ZINC001420001414 923228117 /nfs/dbraw/zinc/22/81/17/923228117.db2.gz XFEPYWBRMOFOOI-CQSZACIVSA-N 2 2 293.415 0.405 20 0 CCADLP CC(C)C[NH2+]C[C@@H](O)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001420178258 923371907 /nfs/dbraw/zinc/37/19/07/923371907.db2.gz LXGBSAYDDLPYBA-CHWSQXEVSA-N 2 2 282.388 0.557 20 0 CCADLP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)Cc1cncs1 ZINC001420192210 923392055 /nfs/dbraw/zinc/39/20/55/923392055.db2.gz OWMOKSMZCLEPLV-LBPRGKRZSA-N 2 2 282.413 0.785 20 0 CCADLP C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)Cc1cncs1 ZINC001420192210 923392067 /nfs/dbraw/zinc/39/20/67/923392067.db2.gz OWMOKSMZCLEPLV-LBPRGKRZSA-N 2 2 282.413 0.785 20 0 CCADLP C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1cncs1 ZINC001420192210 923392080 /nfs/dbraw/zinc/39/20/80/923392080.db2.gz OWMOKSMZCLEPLV-LBPRGKRZSA-N 2 2 282.413 0.785 20 0 CCADLP C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)Cc1cncs1 ZINC001420192210 923392093 /nfs/dbraw/zinc/39/20/93/923392093.db2.gz OWMOKSMZCLEPLV-LBPRGKRZSA-N 2 2 282.413 0.785 20 0 CCADLP C[N@H+](CCC[C@@H]1CCOC1)CCNC(=O)Cn1cc[nH+]c1 ZINC001420361567 923579484 /nfs/dbraw/zinc/57/94/84/923579484.db2.gz HTFOYPSOPZKPFG-CQSZACIVSA-N 2 2 294.399 0.748 20 0 CCADLP C[N@@H+](CCC[C@@H]1CCOC1)CCNC(=O)Cn1cc[nH+]c1 ZINC001420361567 923579493 /nfs/dbraw/zinc/57/94/93/923579493.db2.gz HTFOYPSOPZKPFG-CQSZACIVSA-N 2 2 294.399 0.748 20 0 CCADLP CC[N@H+](CCNC(=O)C[C@H](C)n1cc[nH+]c1)C[C@@H](C)O ZINC001420424319 923652979 /nfs/dbraw/zinc/65/29/79/923652979.db2.gz UOQOXYNZPMRCKY-QWHCGFSZSA-N 2 2 282.388 0.653 20 0 CCADLP CC[N@@H+](CCNC(=O)C[C@H](C)n1cc[nH+]c1)C[C@@H](C)O ZINC001420424319 923652986 /nfs/dbraw/zinc/65/29/86/923652986.db2.gz UOQOXYNZPMRCKY-QWHCGFSZSA-N 2 2 282.388 0.653 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC001344644373 923658682 /nfs/dbraw/zinc/65/86/82/923658682.db2.gz XNLMQKMOOCFIEL-MWLCHTKSSA-N 2 2 250.346 0.622 20 0 CCADLP CC[C@@H](C[N@H+](C)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1)OC ZINC001420643826 923845288 /nfs/dbraw/zinc/84/52/88/923845288.db2.gz XRYAYZOFJOYJLU-RYUDHWBXSA-N 2 2 282.388 0.814 20 0 CCADLP CC[C@@H](C[N@@H+](C)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1)OC ZINC001420643826 923845297 /nfs/dbraw/zinc/84/52/97/923845297.db2.gz XRYAYZOFJOYJLU-RYUDHWBXSA-N 2 2 282.388 0.814 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2cnns2)CC1 ZINC001420969840 924061475 /nfs/dbraw/zinc/06/14/75/924061475.db2.gz NHCOBAYAPICYBB-LLVKDONJSA-N 2 2 295.412 0.371 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2cnns2)CC1 ZINC001420969840 924061488 /nfs/dbraw/zinc/06/14/88/924061488.db2.gz NHCOBAYAPICYBB-LLVKDONJSA-N 2 2 295.412 0.371 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)CCc1[nH+]ccn1C ZINC001346536117 924257088 /nfs/dbraw/zinc/25/70/88/924257088.db2.gz UJLIWHLMUAMODI-UHFFFAOYSA-N 2 2 282.388 0.437 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)CCc1[nH+]ccn1C ZINC001346536117 924257097 /nfs/dbraw/zinc/25/70/97/924257097.db2.gz UJLIWHLMUAMODI-UHFFFAOYSA-N 2 2 282.388 0.437 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001347505023 924464741 /nfs/dbraw/zinc/46/47/41/924464741.db2.gz UPRLMSBTHNJMIV-NSHDSACASA-N 2 2 250.346 0.861 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC001347505023 924464746 /nfs/dbraw/zinc/46/47/46/924464746.db2.gz UPRLMSBTHNJMIV-NSHDSACASA-N 2 2 250.346 0.861 20 0 CCADLP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001348223847 924621779 /nfs/dbraw/zinc/62/17/79/924621779.db2.gz IOOAOUCZBFQFAW-UHTWSYAYSA-N 2 2 262.357 0.799 20 0 CCADLP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001348223847 924621784 /nfs/dbraw/zinc/62/17/84/924621784.db2.gz IOOAOUCZBFQFAW-UHTWSYAYSA-N 2 2 262.357 0.799 20 0 CCADLP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001348223847 924621787 /nfs/dbraw/zinc/62/17/87/924621787.db2.gz IOOAOUCZBFQFAW-UHTWSYAYSA-N 2 2 262.357 0.799 20 0 CCADLP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001348223847 924621794 /nfs/dbraw/zinc/62/17/94/924621794.db2.gz IOOAOUCZBFQFAW-UHTWSYAYSA-N 2 2 262.357 0.799 20 0 CCADLP C[C@@H](C(=O)NCC1([NH3+])CCOCC1)n1cc[nH+]c1 ZINC001349608275 925004827 /nfs/dbraw/zinc/00/48/27/925004827.db2.gz JYVRLOHJFKYGQR-JTQLQIEISA-N 2 2 252.318 0.068 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC001355696073 926303288 /nfs/dbraw/zinc/30/32/88/926303288.db2.gz NGMPTYAWEDLKRQ-USWWRNFRSA-N 2 2 262.357 0.974 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC001355696073 926303297 /nfs/dbraw/zinc/30/32/97/926303297.db2.gz NGMPTYAWEDLKRQ-USWWRNFRSA-N 2 2 262.357 0.974 20 0 CCADLP Cc1nnc(CC[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)o1 ZINC001413967961 926303486 /nfs/dbraw/zinc/30/34/86/926303486.db2.gz MXPZTYLGGYIPSV-AWEZNQCLSA-N 2 2 293.415 0.632 20 0 CCADLP Cc1nnc(CC[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)o1 ZINC001413967961 926303493 /nfs/dbraw/zinc/30/34/93/926303493.db2.gz MXPZTYLGGYIPSV-AWEZNQCLSA-N 2 2 293.415 0.632 20 0 CCADLP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C[C@@H]([NH3+])C(F)F ZINC001357463051 926539212 /nfs/dbraw/zinc/53/92/12/926539212.db2.gz JMYCZDCPDDQIHR-BIIVOSGPSA-N 2 2 253.268 0.127 20 0 CCADLP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1nnc(C)[nH]1 ZINC001421434966 926750176 /nfs/dbraw/zinc/75/01/76/926750176.db2.gz HTYGMPDCAYWSPP-NWDGAFQWSA-N 2 2 294.403 0.192 20 0 CCADLP CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1nnc(C)[nH]1 ZINC001421434966 926750182 /nfs/dbraw/zinc/75/01/82/926750182.db2.gz HTYGMPDCAYWSPP-NWDGAFQWSA-N 2 2 294.403 0.192 20 0 CCADLP CC[NH+]1CCN(CC(C)(C)[NH2+]CCS(C)(=O)=O)CC1 ZINC001414000527 926796532 /nfs/dbraw/zinc/79/65/32/926796532.db2.gz PXINNAKZMHAEQJ-UHFFFAOYSA-N 2 2 291.461 0.037 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001361800167 927341855 /nfs/dbraw/zinc/34/18/55/927341855.db2.gz ZITBISJVHQCVGL-QWHCGFSZSA-N 2 2 287.379 0.257 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001361800167 927341871 /nfs/dbraw/zinc/34/18/71/927341871.db2.gz ZITBISJVHQCVGL-QWHCGFSZSA-N 2 2 287.379 0.257 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001361800167 927341882 /nfs/dbraw/zinc/34/18/82/927341882.db2.gz ZITBISJVHQCVGL-QWHCGFSZSA-N 2 2 287.379 0.257 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)CC[N@H+]1CC[C@@H](F)C1 ZINC001361800167 927341894 /nfs/dbraw/zinc/34/18/94/927341894.db2.gz ZITBISJVHQCVGL-QWHCGFSZSA-N 2 2 287.379 0.257 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CC3(F)F)C2)CC1 ZINC001361819102 927355723 /nfs/dbraw/zinc/35/57/23/927355723.db2.gz IXFNGXAAJUCVIR-PWSUYJOCSA-N 2 2 287.354 0.926 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CC3(F)F)C2)CC1 ZINC001361819102 927355731 /nfs/dbraw/zinc/35/57/31/927355731.db2.gz IXFNGXAAJUCVIR-PWSUYJOCSA-N 2 2 287.354 0.926 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)C[C@@H]1CCCCO1 ZINC001422568433 927375085 /nfs/dbraw/zinc/37/50/85/927375085.db2.gz CIOGKCPLRBQPJH-STQMWFEESA-N 2 2 294.399 0.958 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)C[C@@H]1CCCCO1 ZINC001422568433 927375099 /nfs/dbraw/zinc/37/50/99/927375099.db2.gz CIOGKCPLRBQPJH-STQMWFEESA-N 2 2 294.399 0.958 20 0 CCADLP CCC[NH+]1CC(CCO)(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001422650904 927434735 /nfs/dbraw/zinc/43/47/35/927434735.db2.gz NIFJEODTUNGPQZ-GFCCVEGCSA-N 2 2 271.405 0.290 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001361983125 927495543 /nfs/dbraw/zinc/49/55/43/927495543.db2.gz RGRGAMLZPDSFBZ-ZIAGYGMSSA-N 2 2 292.383 0.020 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001362183767 927703015 /nfs/dbraw/zinc/70/30/15/927703015.db2.gz ZKEVYMJNBOCECF-NEPJUHHUSA-N 2 2 278.356 0.240 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001362183767 927703039 /nfs/dbraw/zinc/70/30/39/927703039.db2.gz ZKEVYMJNBOCECF-NEPJUHHUSA-N 2 2 278.356 0.240 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@@H+]1CCOC1CCC1 ZINC001423179109 927711905 /nfs/dbraw/zinc/71/19/05/927711905.db2.gz WFVCQFUFGKVWES-CYBMUJFWSA-N 2 2 292.383 0.643 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@H+]1CCOC1CCC1 ZINC001423179109 927711914 /nfs/dbraw/zinc/71/19/14/927711914.db2.gz WFVCQFUFGKVWES-CYBMUJFWSA-N 2 2 292.383 0.643 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC001362230009 927754734 /nfs/dbraw/zinc/75/47/34/927754734.db2.gz OADQXMNINHVIIW-TZMCWYRMSA-N 2 2 276.384 0.905 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC001362230009 927754745 /nfs/dbraw/zinc/75/47/45/927754745.db2.gz OADQXMNINHVIIW-TZMCWYRMSA-N 2 2 276.384 0.905 20 0 CCADLP CC(C)C[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCOCC1 ZINC001423716341 927964945 /nfs/dbraw/zinc/96/49/45/927964945.db2.gz IARPVXBMNQVWMA-UHFFFAOYSA-N 2 2 294.399 0.863 20 0 CCADLP CCC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC001362400767 927967561 /nfs/dbraw/zinc/96/75/61/927967561.db2.gz XDWORBPHPMNJKT-GJZGRUSLSA-N 2 2 297.443 0.776 20 0 CCADLP CCC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC001362400767 927967573 /nfs/dbraw/zinc/96/75/73/927967573.db2.gz XDWORBPHPMNJKT-GJZGRUSLSA-N 2 2 297.443 0.776 20 0 CCADLP CCC[NH+]1CCCC[C@H]1C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC001362400767 927967589 /nfs/dbraw/zinc/96/75/89/927967589.db2.gz XDWORBPHPMNJKT-GJZGRUSLSA-N 2 2 297.443 0.776 20 0 CCADLP CCC[NH+]1CCCC[C@H]1C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC001362400767 927967599 /nfs/dbraw/zinc/96/75/99/927967599.db2.gz XDWORBPHPMNJKT-GJZGRUSLSA-N 2 2 297.443 0.776 20 0 CCADLP CC[N@@H+]1CC[C@H]1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001362399203 927968415 /nfs/dbraw/zinc/96/84/15/927968415.db2.gz IWAVIFHNHBIRBO-AWEZNQCLSA-N 2 2 281.400 0.404 20 0 CCADLP CC[N@H+]1CC[C@H]1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001362399203 927968424 /nfs/dbraw/zinc/96/84/24/927968424.db2.gz IWAVIFHNHBIRBO-AWEZNQCLSA-N 2 2 281.400 0.404 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC001362605514 928240346 /nfs/dbraw/zinc/24/03/46/928240346.db2.gz PPIKGTXBPXQHEF-CHWSQXEVSA-N 2 2 283.416 0.384 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC001362605514 928240350 /nfs/dbraw/zinc/24/03/50/928240350.db2.gz PPIKGTXBPXQHEF-CHWSQXEVSA-N 2 2 283.416 0.384 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC001362605514 928240356 /nfs/dbraw/zinc/24/03/56/928240356.db2.gz PPIKGTXBPXQHEF-CHWSQXEVSA-N 2 2 283.416 0.384 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC001362605514 928240363 /nfs/dbraw/zinc/24/03/63/928240363.db2.gz PPIKGTXBPXQHEF-CHWSQXEVSA-N 2 2 283.416 0.384 20 0 CCADLP CC[N@@H+]1CC[C@H]1C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001362621319 928264543 /nfs/dbraw/zinc/26/45/43/928264543.db2.gz PDIZAKQSDBVWKH-MJBXVCDLSA-N 2 2 283.416 0.648 20 0 CCADLP CC[N@H+]1CC[C@H]1C(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC001362621319 928264551 /nfs/dbraw/zinc/26/45/51/928264551.db2.gz PDIZAKQSDBVWKH-MJBXVCDLSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CC[C@H]1C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001362621319 928264561 /nfs/dbraw/zinc/26/45/61/928264561.db2.gz PDIZAKQSDBVWKH-MJBXVCDLSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CC[C@H]1C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001362621319 928264566 /nfs/dbraw/zinc/26/45/66/928264566.db2.gz PDIZAKQSDBVWKH-MJBXVCDLSA-N 2 2 283.416 0.648 20 0 CCADLP Cc1noc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001424801706 928302999 /nfs/dbraw/zinc/30/29/99/928302999.db2.gz GUPUIGVLVLSYJR-NXEZZACHSA-N 2 2 283.376 0.313 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[N@@H+](C)CCC[C@@H](C)O ZINC001425055346 928413339 /nfs/dbraw/zinc/41/33/39/928413339.db2.gz KTZANBLECQERMH-NWDGAFQWSA-N 2 2 296.415 0.858 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[N@H+](C)CCC[C@@H](C)O ZINC001425055346 928413348 /nfs/dbraw/zinc/41/33/48/928413348.db2.gz KTZANBLECQERMH-NWDGAFQWSA-N 2 2 296.415 0.858 20 0 CCADLP CC[C@H](C[N@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1)OC ZINC001425065376 928420278 /nfs/dbraw/zinc/42/02/78/928420278.db2.gz BEFKQFOKFNSTMV-CHWSQXEVSA-N 2 2 282.388 0.745 20 0 CCADLP CC[C@H](C[N@@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1)OC ZINC001425065376 928420282 /nfs/dbraw/zinc/42/02/82/928420282.db2.gz BEFKQFOKFNSTMV-CHWSQXEVSA-N 2 2 282.388 0.745 20 0 CCADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]Cc1ccnn1C ZINC001425631834 928611129 /nfs/dbraw/zinc/61/11/29/928611129.db2.gz HFKDAKVBFKCVBN-NSHDSACASA-N 2 2 290.371 0.322 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC([NH2+]C2CCOCC2)C1 ZINC001362918378 928650438 /nfs/dbraw/zinc/65/04/38/928650438.db2.gz SDIQUMTUMQAUIZ-LLVKDONJSA-N 2 2 292.383 0.568 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC([NH2+]C2CCOCC2)C1 ZINC001362918378 928650442 /nfs/dbraw/zinc/65/04/42/928650442.db2.gz SDIQUMTUMQAUIZ-LLVKDONJSA-N 2 2 292.383 0.568 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC001362917163 928651392 /nfs/dbraw/zinc/65/13/92/928651392.db2.gz MSSFTKDTUDGLCG-YNEHKIRRSA-N 2 2 283.441 0.777 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC001362917163 928651401 /nfs/dbraw/zinc/65/14/01/928651401.db2.gz MSSFTKDTUDGLCG-YNEHKIRRSA-N 2 2 283.441 0.777 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001362917163 928651409 /nfs/dbraw/zinc/65/14/09/928651409.db2.gz MSSFTKDTUDGLCG-YNEHKIRRSA-N 2 2 283.441 0.777 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC001362917163 928651419 /nfs/dbraw/zinc/65/14/19/928651419.db2.gz MSSFTKDTUDGLCG-YNEHKIRRSA-N 2 2 283.441 0.777 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC1(C2CC[NH+](CCO)CC2)CC1 ZINC001426267121 928800141 /nfs/dbraw/zinc/80/01/41/928800141.db2.gz YEYMVYRBPZGUKK-UHFFFAOYSA-N 2 2 292.383 0.236 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC001363178859 928950398 /nfs/dbraw/zinc/95/03/98/928950398.db2.gz RXGRVGQDBUIPNV-ILXRZTDVSA-N 2 2 297.443 0.896 20 0 CCADLP CCc1[nH]c(CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)c[nH+]1 ZINC001363606189 929410422 /nfs/dbraw/zinc/41/04/22/929410422.db2.gz QSXMHTWGMBLDAR-LBPRGKRZSA-N 2 2 278.356 0.309 20 0 CCADLP C[C@H]1COCCN1CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001363803311 929592910 /nfs/dbraw/zinc/59/29/10/929592910.db2.gz DCYMZVNGUYIKGQ-GOEBONIOSA-N 2 2 297.443 0.238 20 0 CCADLP C[C@H]1COCCN1CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001363803311 929592917 /nfs/dbraw/zinc/59/29/17/929592917.db2.gz DCYMZVNGUYIKGQ-GOEBONIOSA-N 2 2 297.443 0.238 20 0 CCADLP CC[N@H+](C)CCC(=O)NC1C[NH+](CCOC(C)C)C1 ZINC001443529292 929635504 /nfs/dbraw/zinc/63/55/04/929635504.db2.gz WGKVRFHTSFUWBK-UHFFFAOYSA-N 2 2 271.405 0.554 20 0 CCADLP CC[N@@H+](C)CCC(=O)NC1C[NH+](CCOC(C)C)C1 ZINC001443529292 929635510 /nfs/dbraw/zinc/63/55/10/929635510.db2.gz WGKVRFHTSFUWBK-UHFFFAOYSA-N 2 2 271.405 0.554 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC1C[NH+](C[C@H]2CCOC2)C1 ZINC001443619575 929665250 /nfs/dbraw/zinc/66/52/50/929665250.db2.gz MYKJHWHZJHJTKW-CYBMUJFWSA-N 2 2 292.383 0.358 20 0 CCADLP Cc1[nH+]cc2n1C[C@H](C(=O)NCC[N@H+](C)CCF)CC2 ZINC001372093073 929729560 /nfs/dbraw/zinc/72/95/60/929729560.db2.gz JUVPGAKKHVCKHG-GFCCVEGCSA-N 2 2 282.363 0.771 20 0 CCADLP Cc1[nH+]cc2n1C[C@H](C(=O)NCC[N@@H+](C)CCF)CC2 ZINC001372093073 929729564 /nfs/dbraw/zinc/72/95/64/929729564.db2.gz JUVPGAKKHVCKHG-GFCCVEGCSA-N 2 2 282.363 0.771 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1cnns1 ZINC001444419057 929866965 /nfs/dbraw/zinc/86/69/65/929866965.db2.gz HOJWHKMBVSMMLP-SNVBAGLBSA-N 2 2 294.384 0.277 20 0 CCADLP CO[C@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001372520801 929869097 /nfs/dbraw/zinc/86/90/97/929869097.db2.gz HDYKIEDBVZVKMW-OCCSQVGLSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@H](C)C[N@H+]1CCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001372520801 929869110 /nfs/dbraw/zinc/86/91/10/929869110.db2.gz HDYKIEDBVZVKMW-OCCSQVGLSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001372520801 929869116 /nfs/dbraw/zinc/86/91/16/929869116.db2.gz HDYKIEDBVZVKMW-OCCSQVGLSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@H](C)C[N@H+]1CCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001372520801 929869121 /nfs/dbraw/zinc/86/91/21/929869121.db2.gz HDYKIEDBVZVKMW-OCCSQVGLSA-N 2 2 294.399 0.958 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001372632205 929901393 /nfs/dbraw/zinc/90/13/93/929901393.db2.gz IPRLGWBOBUPICB-KGLIPLIRSA-N 2 2 294.399 0.746 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001372632205 929901404 /nfs/dbraw/zinc/90/14/04/929901404.db2.gz IPRLGWBOBUPICB-KGLIPLIRSA-N 2 2 294.399 0.746 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[N@H+](C)C[C@H]1CCOC1 ZINC001445072346 930021272 /nfs/dbraw/zinc/02/12/72/930021272.db2.gz DHJLLTGWGPYOOL-CYBMUJFWSA-N 2 2 294.399 0.687 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[N@@H+](C)C[C@H]1CCOC1 ZINC001445072346 930021283 /nfs/dbraw/zinc/02/12/83/930021283.db2.gz DHJLLTGWGPYOOL-CYBMUJFWSA-N 2 2 294.399 0.687 20 0 CCADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCOC[C@H]2O)s1 ZINC001414115728 930133545 /nfs/dbraw/zinc/13/35/45/930133545.db2.gz BFISJVBSUUMJBV-GHMZBOCLSA-N 2 2 271.386 0.444 20 0 CCADLP C[C@@H](C[NH2+]C[C@H]1CCOC1)NC(=O)Cc1c[nH+]cn1C ZINC001445649177 930195287 /nfs/dbraw/zinc/19/52/87/930195287.db2.gz RMNLFFHCBZGVCG-NWDGAFQWSA-N 2 2 280.372 0.093 20 0 CCADLP CCn1ccc(C[N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001445806762 930253919 /nfs/dbraw/zinc/25/39/19/930253919.db2.gz ZIYMSHWWOJTMLR-ZDUSSCGKSA-N 2 2 295.431 0.791 20 0 CCADLP CCn1ccc(C[N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001445806762 930253935 /nfs/dbraw/zinc/25/39/35/930253935.db2.gz ZIYMSHWWOJTMLR-ZDUSSCGKSA-N 2 2 295.431 0.791 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]Cc1cnon1)C1CC1 ZINC001445942179 930292330 /nfs/dbraw/zinc/29/23/30/930292330.db2.gz WHAJJISPIVFWLF-STQMWFEESA-N 2 2 293.371 0.148 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]Cc1cnon1)C1CC1 ZINC001445942179 930292338 /nfs/dbraw/zinc/29/23/38/930292338.db2.gz WHAJJISPIVFWLF-STQMWFEESA-N 2 2 293.371 0.148 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@H](NC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001445997661 930303062 /nfs/dbraw/zinc/30/30/62/930303062.db2.gz ZAEQGGGOZOPOEZ-RISCZKNCSA-N 2 2 294.399 0.482 20 0 CCADLP CC[C@H](C[N@H+]1CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C)OC ZINC001446129766 930342015 /nfs/dbraw/zinc/34/20/15/930342015.db2.gz ZRODNMLKHFQJDI-QWHCGFSZSA-N 2 2 294.399 0.876 20 0 CCADLP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cnsn1 ZINC001373795199 930346115 /nfs/dbraw/zinc/34/61/15/930346115.db2.gz YXQOLRMCUSXYRR-JTQLQIEISA-N 2 2 285.417 0.474 20 0 CCADLP CC[C@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+]C[C@H](C)O ZINC001373822950 930353677 /nfs/dbraw/zinc/35/36/77/930353677.db2.gz RJKYFOPNIIZCJG-NWDGAFQWSA-N 2 2 282.388 0.218 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]C[C@H]1CCOC1 ZINC001374070869 930417097 /nfs/dbraw/zinc/41/70/97/930417097.db2.gz AYMYUDXDLSIBOC-VXGBXAGGSA-N 2 2 280.372 0.331 20 0 CCADLP Cc1nocc1C[NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001374307008 930481497 /nfs/dbraw/zinc/48/14/97/930481497.db2.gz YYTYJTNJVMFBCY-JTQLQIEISA-N 2 2 291.355 0.885 20 0 CCADLP Cc1cnc(C[NH2+]C[C@H](C)NC(=O)Cn2c[nH+]cc2C)o1 ZINC001374919449 930724250 /nfs/dbraw/zinc/72/42/50/930724250.db2.gz PUZCFODJTIHVQU-JTQLQIEISA-N 2 2 291.355 0.782 20 0 CCADLP Cc1nnc(C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C)o1 ZINC001374983128 930745089 /nfs/dbraw/zinc/74/50/89/930745089.db2.gz YEAPTQKJVSBJTL-JTQLQIEISA-N 2 2 283.376 0.313 20 0 CCADLP Cc1nnc(C[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)C(C)C)o1 ZINC001374983128 930745091 /nfs/dbraw/zinc/74/50/91/930745091.db2.gz YEAPTQKJVSBJTL-JTQLQIEISA-N 2 2 283.376 0.313 20 0 CCADLP C[C@@H](C[N@H+](C)CCn1cccn1)NC(=O)Cn1cc[nH+]c1 ZINC001375159501 930806481 /nfs/dbraw/zinc/80/64/81/930806481.db2.gz AHHHZEWDNOFDGZ-ZDUSSCGKSA-N 2 2 290.371 0.216 20 0 CCADLP C[C@@H](C[N@@H+](C)CCn1cccn1)NC(=O)Cn1cc[nH+]c1 ZINC001375159501 930806486 /nfs/dbraw/zinc/80/64/86/930806486.db2.gz AHHHZEWDNOFDGZ-ZDUSSCGKSA-N 2 2 290.371 0.216 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC001375229458 930827175 /nfs/dbraw/zinc/82/71/75/930827175.db2.gz MWYNRDXWQRRUCK-ZWNOBZJWSA-N 2 2 280.372 0.208 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC001375229458 930827184 /nfs/dbraw/zinc/82/71/84/930827184.db2.gz MWYNRDXWQRRUCK-ZWNOBZJWSA-N 2 2 280.372 0.208 20 0 CCADLP C[C@H](O)C[N@@H+]1CCCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001448254356 930859155 /nfs/dbraw/zinc/85/91/55/930859155.db2.gz GSPQGFSJQZTWEH-KBPBESRZSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@H](O)C[N@H+]1CCCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001448254356 930859160 /nfs/dbraw/zinc/85/91/60/930859160.db2.gz GSPQGFSJQZTWEH-KBPBESRZSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@H](O)CCC[N@@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001375384068 930872843 /nfs/dbraw/zinc/87/28/43/930872843.db2.gz QTRCGYNAECDWEF-QWHCGFSZSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@H](O)CCC[N@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001375384068 930872849 /nfs/dbraw/zinc/87/28/49/930872849.db2.gz QTRCGYNAECDWEF-QWHCGFSZSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]C[C@H]1CCCCO1 ZINC001448733629 930961375 /nfs/dbraw/zinc/96/13/75/930961375.db2.gz NWCZRLIKYPEZAD-TZMCWYRMSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001375859445 930993629 /nfs/dbraw/zinc/99/36/29/930993629.db2.gz YQVDKPZGXSPXOZ-OCCSQVGLSA-N 2 2 280.372 0.499 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001375859445 930993636 /nfs/dbraw/zinc/99/36/36/930993636.db2.gz YQVDKPZGXSPXOZ-OCCSQVGLSA-N 2 2 280.372 0.499 20 0 CCADLP CN(C[C@H](O)C[NH2+]CC1CC1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001449161273 931086932 /nfs/dbraw/zinc/08/69/32/931086932.db2.gz OIPOIDIPKNLIHM-GFCCVEGCSA-N 2 2 294.399 0.506 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCCO)C1 ZINC001449791326 931187686 /nfs/dbraw/zinc/18/76/86/931187686.db2.gz AMGQQTAFZYWHJW-QWHCGFSZSA-N 2 2 269.389 0.044 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001449791326 931187692 /nfs/dbraw/zinc/18/76/92/931187692.db2.gz AMGQQTAFZYWHJW-QWHCGFSZSA-N 2 2 269.389 0.044 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC001449791326 931187698 /nfs/dbraw/zinc/18/76/98/931187698.db2.gz AMGQQTAFZYWHJW-QWHCGFSZSA-N 2 2 269.389 0.044 20 0 CCADLP COC[C@@H](C)[NH2+]CC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001376581567 931188000 /nfs/dbraw/zinc/18/80/00/931188000.db2.gz WRRRAQDUGYWTFY-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]Cc1cnon1 ZINC001376780903 931267865 /nfs/dbraw/zinc/26/78/65/931267865.db2.gz COVHFYAYKOTIRG-LLVKDONJSA-N 2 2 295.387 0.538 20 0 CCADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](CC(=O)[O-])CC2)CC[N@@H+]1C ZINC001589291733 953608302 /nfs/dbraw/zinc/60/83/02/953608302.db2.gz QZAYSGKEVKNPHV-WCQYABFASA-N 2 2 269.389 0.608 20 0 CCADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](CC(=O)[O-])CC2)CC[N@H+]1C ZINC001589291733 953608309 /nfs/dbraw/zinc/60/83/09/953608309.db2.gz QZAYSGKEVKNPHV-WCQYABFASA-N 2 2 269.389 0.608 20 0 CCADLP O=C(NC[C@H]1CC[NH2+]C1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000273051820 192031133 /nfs/dbraw/zinc/03/11/33/192031133.db2.gz RBZOITDCAGTNNB-NSHDSACASA-N 2 2 271.324 0.607 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)[nH]1 ZINC000093085997 349524529 /nfs/dbraw/zinc/52/45/29/349524529.db2.gz RVAUJFQGLAEXSE-OLZOCXBDSA-N 2 2 293.367 0.754 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)[nH]1 ZINC000093085997 349524533 /nfs/dbraw/zinc/52/45/33/349524533.db2.gz RVAUJFQGLAEXSE-OLZOCXBDSA-N 2 2 293.367 0.754 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CC[C@@H]1C ZINC000093256734 349533526 /nfs/dbraw/zinc/53/35/26/349533526.db2.gz YYXKVBBFUABAQN-STQMWFEESA-N 2 2 253.390 0.738 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)CC[C@@H]1C ZINC000093256734 349533527 /nfs/dbraw/zinc/53/35/27/349533527.db2.gz YYXKVBBFUABAQN-STQMWFEESA-N 2 2 253.390 0.738 20 0 CCADLP NC(=O)c1csc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000093688486 349550964 /nfs/dbraw/zinc/55/09/64/349550964.db2.gz CJEJPUOKTSLGID-NEPJUHHUSA-N 2 2 295.408 0.800 20 0 CCADLP NC(=O)c1csc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000093688486 349550969 /nfs/dbraw/zinc/55/09/69/349550969.db2.gz CJEJPUOKTSLGID-NEPJUHHUSA-N 2 2 295.408 0.800 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C[NH3+])C[C@H](C)O1 ZINC000093873952 349555088 /nfs/dbraw/zinc/55/50/88/349555088.db2.gz ZYUQUZBJJCQOCS-TXEJJXNPSA-N 2 2 271.405 0.539 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C[NH3+])C[C@H](C)O1 ZINC000093873952 349555089 /nfs/dbraw/zinc/55/50/89/349555089.db2.gz ZYUQUZBJJCQOCS-TXEJJXNPSA-N 2 2 271.405 0.539 20 0 CCADLP C[C@H]1C[N@H+](Cc2cc(=O)n3ccsc3n2)CC[C@@H]1[NH3+] ZINC000094342223 349567672 /nfs/dbraw/zinc/56/76/72/349567672.db2.gz IQBIRCPJKNMNTL-ONGXEEELSA-N 2 2 278.381 0.925 20 0 CCADLP C[C@H]1C[N@@H+](Cc2cc(=O)n3ccsc3n2)CC[C@@H]1[NH3+] ZINC000094342223 349567676 /nfs/dbraw/zinc/56/76/76/349567676.db2.gz IQBIRCPJKNMNTL-ONGXEEELSA-N 2 2 278.381 0.925 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)NCC[C@@H]2CC[NH2+]C2)CCO1 ZINC000418336359 529391852 /nfs/dbraw/zinc/39/18/52/529391852.db2.gz IJACAOPSYVYODK-UONOGXRCSA-N 2 2 298.431 0.396 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCC[C@@H]2CC[NH2+]C2)CCO1 ZINC000418336359 529391855 /nfs/dbraw/zinc/39/18/55/529391855.db2.gz IJACAOPSYVYODK-UONOGXRCSA-N 2 2 298.431 0.396 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CCO1 ZINC000418805012 529392977 /nfs/dbraw/zinc/39/29/77/529392977.db2.gz ZRAWDCDICXFVSK-MGPQQGTHSA-N 2 2 298.431 0.524 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CCO1 ZINC000418805012 529392979 /nfs/dbraw/zinc/39/29/79/529392979.db2.gz ZRAWDCDICXFVSK-MGPQQGTHSA-N 2 2 298.431 0.524 20 0 CCADLP COC(=O)CC[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000096832901 349622806 /nfs/dbraw/zinc/62/28/06/349622806.db2.gz JMAXSLOAJPPPJC-UHFFFAOYSA-N 2 2 293.371 0.228 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000096785779 349623110 /nfs/dbraw/zinc/62/31/10/349623110.db2.gz RHQYRPOUMHQVQF-GFCCVEGCSA-N 2 2 262.357 0.610 20 0 CCADLP C[NH2+]CC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000430840561 290639244 /nfs/dbraw/zinc/63/92/44/290639244.db2.gz XZRHAXCGXKKUIB-HNNXBMFYSA-N 2 2 291.395 0.704 20 0 CCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C)C2 ZINC000335861284 282178063 /nfs/dbraw/zinc/17/80/63/282178063.db2.gz AKBQAADKVYTNBB-AAEUAGOBSA-N 2 2 276.384 0.916 20 0 CCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1C)C2 ZINC000335861284 282178064 /nfs/dbraw/zinc/17/80/64/282178064.db2.gz AKBQAADKVYTNBB-AAEUAGOBSA-N 2 2 276.384 0.916 20 0 CCADLP COC[C@@H]([NH3+])C(=O)N[C@@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000357238688 536664382 /nfs/dbraw/zinc/66/43/82/536664382.db2.gz HIJYHQAVQVRXEC-QWHCGFSZSA-N 2 2 299.415 0.110 20 0 CCADLP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)NC(=O)NC2CC2)CC1 ZINC000408380567 282187625 /nfs/dbraw/zinc/18/76/25/282187625.db2.gz ANUUNUSORKTPGQ-GFCCVEGCSA-N 2 2 282.388 0.391 20 0 CCADLP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CC2)CC1 ZINC000408380567 282187626 /nfs/dbraw/zinc/18/76/26/282187626.db2.gz ANUUNUSORKTPGQ-GFCCVEGCSA-N 2 2 282.388 0.391 20 0 CCADLP CC[C@@]1(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CCC[NH2+]1 ZINC000423766161 529519599 /nfs/dbraw/zinc/51/95/99/529519599.db2.gz XUFWUQPZQYUIEU-ZFWWWQNUSA-N 2 2 281.400 0.498 20 0 CCADLP CC[C@@]1(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CCC[NH2+]1 ZINC000423766161 529519600 /nfs/dbraw/zinc/51/96/00/529519600.db2.gz XUFWUQPZQYUIEU-ZFWWWQNUSA-N 2 2 281.400 0.498 20 0 CCADLP CC[NH+]1CCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)CC1 ZINC000105785106 349723467 /nfs/dbraw/zinc/72/34/67/349723467.db2.gz OPCYFPSHKLAVEV-ZDUSSCGKSA-N 2 2 291.399 0.580 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NCC(C)C)C2)CC1 ZINC000107371305 349736570 /nfs/dbraw/zinc/73/65/70/349736570.db2.gz RRBYGXVOTOUGFE-HNNXBMFYSA-N 2 2 296.459 0.470 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NCC(C)C)C2)CC1 ZINC000107371305 349736576 /nfs/dbraw/zinc/73/65/76/349736576.db2.gz RRBYGXVOTOUGFE-HNNXBMFYSA-N 2 2 296.459 0.470 20 0 CCADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)N1CCc2ccccc21 ZINC000107573622 349738061 /nfs/dbraw/zinc/73/80/61/349738061.db2.gz VIRXWIGGOQXYTR-ZIAGYGMSSA-N 2 2 271.364 0.727 20 0 CCADLP COC(=O)c1cnc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cn1 ZINC000600711406 362042153 /nfs/dbraw/zinc/04/21/53/362042153.db2.gz SYUQBAQOYPZSLV-VHSXEESVSA-N 2 2 264.329 0.432 20 0 CCADLP COC(=O)c1cnc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cn1 ZINC000600711406 362042159 /nfs/dbraw/zinc/04/21/59/362042159.db2.gz SYUQBAQOYPZSLV-VHSXEESVSA-N 2 2 264.329 0.432 20 0 CCADLP Cc1cncc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000600710669 362042620 /nfs/dbraw/zinc/04/26/20/362042620.db2.gz QCBBIBZZVHZGMF-CHWSQXEVSA-N 2 2 260.341 0.134 20 0 CCADLP Cc1cncc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000600710669 362042622 /nfs/dbraw/zinc/04/26/22/362042622.db2.gz QCBBIBZZVHZGMF-CHWSQXEVSA-N 2 2 260.341 0.134 20 0 CCADLP C[C@H](NC(=O)N1CCCC[C@@H]1C[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000417519555 299089235 /nfs/dbraw/zinc/08/92/35/299089235.db2.gz MOBYDGAXXIQJEC-MELADBBJSA-N 2 2 298.431 0.618 20 0 CCADLP CCC(CC)[C@@H](C(=O)N[C@H](C[NH3+])C1CC1)[NH+]1CCOCC1 ZINC000159203960 282224808 /nfs/dbraw/zinc/22/48/08/282224808.db2.gz NTSOQZRZRKSPIY-CABCVRRESA-N 2 2 297.443 0.977 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)C[NH+]2CC(C)(C)C2)[C@@H](C)CO1 ZINC000617723196 365728936 /nfs/dbraw/zinc/72/89/36/365728936.db2.gz JYRHPULUYUATJM-STQMWFEESA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)C[NH+]2CC(C)(C)C2)[C@@H](C)CO1 ZINC000617723196 365728937 /nfs/dbraw/zinc/72/89/37/365728937.db2.gz JYRHPULUYUATJM-STQMWFEESA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)CCc2c[nH+]cn2C)[C@@H](C)CO1 ZINC000617724728 365731547 /nfs/dbraw/zinc/73/15/47/365731547.db2.gz BFVPPQUVXJDMJA-STQMWFEESA-N 2 2 294.399 0.578 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)CCc2c[nH+]cn2C)[C@@H](C)CO1 ZINC000617724728 365731555 /nfs/dbraw/zinc/73/15/55/365731555.db2.gz BFVPPQUVXJDMJA-STQMWFEESA-N 2 2 294.399 0.578 20 0 CCADLP C[C@@H](C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C)[NH+](C)C ZINC000617729619 365739949 /nfs/dbraw/zinc/73/99/49/365739949.db2.gz FVFNNJOCHHMZHA-WOPDTQHZSA-N 2 2 257.378 0.162 20 0 CCADLP C[C@@H](C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C)[NH+](C)C ZINC000617729619 365739955 /nfs/dbraw/zinc/73/99/55/365739955.db2.gz FVFNNJOCHHMZHA-WOPDTQHZSA-N 2 2 257.378 0.162 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCCC[NH+]1C ZINC000600999598 362122450 /nfs/dbraw/zinc/12/24/50/362122450.db2.gz BGTVNYHRVGDWRW-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCCC[NH+]1C ZINC000600999598 362122454 /nfs/dbraw/zinc/12/24/54/362122454.db2.gz BGTVNYHRVGDWRW-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000600999598 362122459 /nfs/dbraw/zinc/12/24/59/362122459.db2.gz BGTVNYHRVGDWRW-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC000600999598 362122463 /nfs/dbraw/zinc/12/24/63/362122463.db2.gz BGTVNYHRVGDWRW-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP CCC(CC)[C@H](C(=O)NC[C@H]([NH3+])CC)[NH+]1CCOCC1 ZINC000449610690 282255259 /nfs/dbraw/zinc/25/52/59/282255259.db2.gz RPMCDKPADNOREE-ZIAGYGMSSA-N 2 2 285.432 0.977 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[NH+]1CC(C)(C)C1 ZINC000617763409 365766945 /nfs/dbraw/zinc/76/69/45/365766945.db2.gz QFSQZPXCDPUGAU-UHFFFAOYSA-N 3 2 284.448 0.328 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[NH+]1CC(C)(C)C1 ZINC000617763409 365766950 /nfs/dbraw/zinc/76/69/50/365766950.db2.gz QFSQZPXCDPUGAU-UHFFFAOYSA-N 3 2 284.448 0.328 20 0 CCADLP CN(CCC[NH+](C)C)CCNC(=O)C[NH+]1CC(C)(C)C1 ZINC000617763409 365766954 /nfs/dbraw/zinc/76/69/54/365766954.db2.gz QFSQZPXCDPUGAU-UHFFFAOYSA-N 2 2 284.448 0.328 20 0 CCADLP Cn1cncc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764787 365769152 /nfs/dbraw/zinc/76/91/52/365769152.db2.gz GLTIDSKTWQIYBJ-UHFFFAOYSA-N 2 2 267.377 0.033 20 0 CCADLP Cn1cncc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764787 365769157 /nfs/dbraw/zinc/76/91/57/365769157.db2.gz GLTIDSKTWQIYBJ-UHFFFAOYSA-N 2 2 267.377 0.033 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1C[C@]12CCOC2 ZINC000617764980 365769246 /nfs/dbraw/zinc/76/92/46/365769246.db2.gz OWVBQHWVHWXJCT-HIFRSBDPSA-N 2 2 283.416 0.413 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1C[C@]12CCOC2 ZINC000617764980 365769251 /nfs/dbraw/zinc/76/92/51/365769251.db2.gz OWVBQHWVHWXJCT-HIFRSBDPSA-N 2 2 283.416 0.413 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)[NH+](C)C ZINC000617765462 365770512 /nfs/dbraw/zinc/77/05/12/365770512.db2.gz BPYLGLVQTQBUHE-AWEZNQCLSA-N 3 2 286.464 0.572 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)[NH+](C)C ZINC000617765462 365770520 /nfs/dbraw/zinc/77/05/20/365770520.db2.gz BPYLGLVQTQBUHE-AWEZNQCLSA-N 3 2 286.464 0.572 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)COc1cccnc1 ZINC000617766463 365773376 /nfs/dbraw/zinc/77/33/76/365773376.db2.gz LIWAECMGDAPHES-UHFFFAOYSA-N 2 2 294.399 0.460 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)COc1cccnc1 ZINC000617766463 365773382 /nfs/dbraw/zinc/77/33/82/365773382.db2.gz LIWAECMGDAPHES-UHFFFAOYSA-N 2 2 294.399 0.460 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+]4CCOCC4)CCC3)C[C@@H]21 ZINC000452970861 529797395 /nfs/dbraw/zinc/79/73/95/529797395.db2.gz GGGQVHCRLGRIBF-KGLIPLIRSA-N 2 2 293.411 0.404 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)C3([NH+]4CCOCC4)CCC3)C[C@@H]21 ZINC000452970861 529797396 /nfs/dbraw/zinc/79/73/96/529797396.db2.gz GGGQVHCRLGRIBF-KGLIPLIRSA-N 2 2 293.411 0.404 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+](C)CC2(O)CCOCC2)n1C ZINC000425344882 529806520 /nfs/dbraw/zinc/80/65/20/529806520.db2.gz UKJRGRQKWXKXMG-UHFFFAOYSA-N 2 2 282.388 0.459 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+](C)CC2(O)CCOCC2)n1C ZINC000425344882 529806522 /nfs/dbraw/zinc/80/65/22/529806522.db2.gz UKJRGRQKWXKXMG-UHFFFAOYSA-N 2 2 282.388 0.459 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCNC(=O)c2ccco2)n1C ZINC000425357356 529809447 /nfs/dbraw/zinc/80/94/47/529809447.db2.gz NRJJGWZFELYWBB-UHFFFAOYSA-N 2 2 291.355 0.599 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](CO)c2cccnc2)n1C ZINC000425342901 529810305 /nfs/dbraw/zinc/81/03/05/529810305.db2.gz BLTZZDZNQHIEPE-CYBMUJFWSA-N 2 2 289.383 0.747 20 0 CCADLP CN(CC(C)(C)C[NH3+])C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000418223554 529845000 /nfs/dbraw/zinc/84/50/00/529845000.db2.gz VBQSZEITWTWHMD-ZDUSSCGKSA-N 2 2 298.431 0.476 20 0 CCADLP CN(CC(C)(C)C[NH3+])C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000418223554 529845001 /nfs/dbraw/zinc/84/50/01/529845001.db2.gz VBQSZEITWTWHMD-ZDUSSCGKSA-N 2 2 298.431 0.476 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)O ZINC000427829655 529903624 /nfs/dbraw/zinc/90/36/24/529903624.db2.gz XVIKBWHMNZGTHP-UHFFFAOYSA-N 2 2 271.405 0.242 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)O ZINC000427829655 529903626 /nfs/dbraw/zinc/90/36/26/529903626.db2.gz XVIKBWHMNZGTHP-UHFFFAOYSA-N 2 2 271.405 0.242 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000423746390 529911390 /nfs/dbraw/zinc/91/13/90/529911390.db2.gz RDKOQCHDIWIFRN-ZNMIVQPWSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H](C2N=NC(=O)O2)C1)C1CC1 ZINC000450901731 529942165 /nfs/dbraw/zinc/94/21/65/529942165.db2.gz IJCDOPOHWWWOAI-CMPLNLGQSA-N 2 2 296.371 0.410 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H](C2N=NC(=O)O2)C1)C1CC1 ZINC000450901731 529942166 /nfs/dbraw/zinc/94/21/66/529942166.db2.gz IJCDOPOHWWWOAI-CMPLNLGQSA-N 2 2 296.371 0.410 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1)C1CC1 ZINC000450901731 529942167 /nfs/dbraw/zinc/94/21/67/529942167.db2.gz IJCDOPOHWWWOAI-CMPLNLGQSA-N 2 2 296.371 0.410 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1)C1CC1 ZINC000450901731 529942168 /nfs/dbraw/zinc/94/21/68/529942168.db2.gz IJCDOPOHWWWOAI-CMPLNLGQSA-N 2 2 296.371 0.410 20 0 CCADLP CN(C)c1nc(N2CC[NH+]([C@@H]3CCNC3=O)CC2)cc[nH+]1 ZINC000328606271 282324336 /nfs/dbraw/zinc/32/43/36/282324336.db2.gz KGYUNMWILFIGNK-LLVKDONJSA-N 2 2 290.371 0.393 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000118949771 349911345 /nfs/dbraw/zinc/91/13/45/349911345.db2.gz JYABHOSDWHIEMH-CYBMUJFWSA-N 2 2 294.399 0.530 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000118949771 349911349 /nfs/dbraw/zinc/91/13/49/349911349.db2.gz JYABHOSDWHIEMH-CYBMUJFWSA-N 2 2 294.399 0.530 20 0 CCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@H]1C[NH2+]CCO1 ZINC000424184699 530014840 /nfs/dbraw/zinc/01/48/40/530014840.db2.gz DTGOGBCOQSHADK-GFCCVEGCSA-N 2 2 278.356 0.166 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCOC(C)(C)C2)CC1 ZINC000367380392 530068114 /nfs/dbraw/zinc/06/81/14/530068114.db2.gz SIJSCJJVTINBDI-UHFFFAOYSA-N 2 2 269.389 0.261 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCOC(C)(C)C2)CC1 ZINC000367380392 530068115 /nfs/dbraw/zinc/06/81/15/530068115.db2.gz SIJSCJJVTINBDI-UHFFFAOYSA-N 2 2 269.389 0.261 20 0 CCADLP CNS(=O)(=O)C1CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000372256791 290734973 /nfs/dbraw/zinc/73/49/73/290734973.db2.gz WBZLWCWHTNOYEA-UHFFFAOYSA-N 2 2 289.445 0.486 20 0 CCADLP C[C@H]([C@H](C)NC(=O)c1ccnc(C[NH3+])c1)[NH+]1CCOCC1 ZINC000361623453 232170150 /nfs/dbraw/zinc/17/01/50/232170150.db2.gz VCENYLJMYKMWGF-NWDGAFQWSA-N 2 2 292.383 0.379 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cnc[nH]3)C2)CC1 ZINC000602330536 362588771 /nfs/dbraw/zinc/58/87/71/362588771.db2.gz KNLMAYJXSXQJAR-NSHDSACASA-N 2 2 277.372 0.308 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cnc[nH]3)C2)CC1 ZINC000602330536 362588776 /nfs/dbraw/zinc/58/87/76/362588776.db2.gz KNLMAYJXSXQJAR-NSHDSACASA-N 2 2 277.372 0.308 20 0 CCADLP CCc1nn(C)c(CC)c1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000119314327 349929369 /nfs/dbraw/zinc/92/93/69/349929369.db2.gz CTEJPISLNJJKHR-HNNXBMFYSA-N 2 2 282.432 0.947 20 0 CCADLP CCOC(=O)c1ccc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)[nH]1 ZINC000602543954 362669186 /nfs/dbraw/zinc/66/91/86/362669186.db2.gz CZJUULHWRVWJFD-CYBMUJFWSA-N 2 2 294.399 0.527 20 0 CCADLP CCOC(=O)c1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)[nH]1 ZINC000602543954 362669193 /nfs/dbraw/zinc/66/91/93/362669193.db2.gz CZJUULHWRVWJFD-CYBMUJFWSA-N 2 2 294.399 0.527 20 0 CCADLP CCc1nocc1C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000339232047 215030670 /nfs/dbraw/zinc/03/06/70/215030670.db2.gz QVXNIYYAILFHIG-LBPRGKRZSA-N 2 2 294.399 0.914 20 0 CCADLP CCc1nocc1C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000339232047 215030673 /nfs/dbraw/zinc/03/06/73/215030673.db2.gz QVXNIYYAILFHIG-LBPRGKRZSA-N 2 2 294.399 0.914 20 0 CCADLP C[C@@H](NC(=O)NCC[N@H+]1CC=CCC1)[C@@H]1C[NH+](C)CCO1 ZINC000684397140 545661368 /nfs/dbraw/zinc/66/13/68/545661368.db2.gz BGQCZLDFYDIZLK-KGLIPLIRSA-N 2 2 296.415 0.267 20 0 CCADLP C[C@@H](NC(=O)NCC[N@@H+]1CC=CCC1)[C@@H]1C[NH+](C)CCO1 ZINC000684397140 545661373 /nfs/dbraw/zinc/66/13/73/545661373.db2.gz BGQCZLDFYDIZLK-KGLIPLIRSA-N 2 2 296.415 0.267 20 0 CCADLP C[C@@H](NC(=O)NCC[NH+]1CC=CCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000684397140 545661378 /nfs/dbraw/zinc/66/13/78/545661378.db2.gz BGQCZLDFYDIZLK-KGLIPLIRSA-N 2 2 296.415 0.267 20 0 CCADLP C[C@@H](NC(=O)NCC[NH+]1CC=CCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000684397140 545661384 /nfs/dbraw/zinc/66/13/84/545661384.db2.gz BGQCZLDFYDIZLK-KGLIPLIRSA-N 2 2 296.415 0.267 20 0 CCADLP c1nc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cs1 ZINC000257740714 137005453 /nfs/dbraw/zinc/00/54/53/137005453.db2.gz SLMQWEGTTWLYLF-GFCCVEGCSA-N 2 2 252.387 0.623 20 0 CCADLP c1nc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cs1 ZINC000257740714 137005454 /nfs/dbraw/zinc/00/54/54/137005454.db2.gz SLMQWEGTTWLYLF-GFCCVEGCSA-N 2 2 252.387 0.623 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NC1CCCC1 ZINC000261565152 137008658 /nfs/dbraw/zinc/00/86/58/137008658.db2.gz HREAILZQDKIXRW-NEPJUHHUSA-N 2 2 251.374 0.587 20 0 CCADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NC1CCCC1 ZINC000261565152 137008659 /nfs/dbraw/zinc/00/86/59/137008659.db2.gz HREAILZQDKIXRW-NEPJUHHUSA-N 2 2 251.374 0.587 20 0 CCADLP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261580370 137010107 /nfs/dbraw/zinc/01/01/07/137010107.db2.gz PZGROSHELQJWMD-RYUDHWBXSA-N 2 2 253.390 0.975 20 0 CCADLP CCC(C)(C)NC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261580370 137010108 /nfs/dbraw/zinc/01/01/08/137010108.db2.gz PZGROSHELQJWMD-RYUDHWBXSA-N 2 2 253.390 0.975 20 0 CCADLP C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000261579147 137010229 /nfs/dbraw/zinc/01/02/29/137010229.db2.gz DPWVBGBMXSPORG-ZFWWWQNUSA-N 2 2 265.401 0.930 20 0 CCADLP C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000261579147 137010230 /nfs/dbraw/zinc/01/02/30/137010230.db2.gz DPWVBGBMXSPORG-ZFWWWQNUSA-N 2 2 265.401 0.930 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000261603552 137011759 /nfs/dbraw/zinc/01/17/59/137011759.db2.gz QTLZMTTXDYQFSR-MGPQQGTHSA-N 2 2 265.401 0.929 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000261603552 137011760 /nfs/dbraw/zinc/01/17/60/137011760.db2.gz QTLZMTTXDYQFSR-MGPQQGTHSA-N 2 2 265.401 0.929 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262345102 137039400 /nfs/dbraw/zinc/03/94/00/137039400.db2.gz ILUJDPBRIWUGRL-OFQRWUPVSA-N 2 2 295.427 0.603 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262345102 137039401 /nfs/dbraw/zinc/03/94/01/137039401.db2.gz ILUJDPBRIWUGRL-OFQRWUPVSA-N 2 2 295.427 0.603 20 0 CCADLP C[C@@H](C(=O)NCC[N@@H+]1CCOC(C)(C)C1)C1C[NH2+]C1 ZINC000262381590 137041090 /nfs/dbraw/zinc/04/10/90/137041090.db2.gz MYHZFQLVAXCDCC-LLVKDONJSA-N 2 2 269.389 0.069 20 0 CCADLP C[C@@H](C(=O)NCC[N@H+]1CCOC(C)(C)C1)C1C[NH2+]C1 ZINC000262381590 137041091 /nfs/dbraw/zinc/04/10/91/137041091.db2.gz MYHZFQLVAXCDCC-LLVKDONJSA-N 2 2 269.389 0.069 20 0 CCADLP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000262691678 137050535 /nfs/dbraw/zinc/05/05/35/137050535.db2.gz ANQAABNZSXGYTR-YPMHNXCESA-N 2 2 250.346 0.907 20 0 CCADLP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC[NH3+])CC1 ZINC000262994418 137056912 /nfs/dbraw/zinc/05/69/12/137056912.db2.gz ODDORYBWILDGEC-UHFFFAOYSA-N 3 2 284.448 0.361 20 0 CCADLP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(CC[NH3+])CC2)C1 ZINC000263024232 137057118 /nfs/dbraw/zinc/05/71/18/137057118.db2.gz RDONZGHQPKLJJD-OKILXGFUSA-N 2 2 282.432 0.067 20 0 CCADLP CC(C)CNC(=O)[C@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261730212 137017374 /nfs/dbraw/zinc/01/73/74/137017374.db2.gz KZVGGXIKCMUTSU-KBPBESRZSA-N 2 2 282.432 0.127 20 0 CCADLP COCCO[C@@H]1C[C@@H](CO)C[N@H+](CC(C)(C)[NH3+])C1 ZINC000261778067 137019829 /nfs/dbraw/zinc/01/98/29/137019829.db2.gz FFEJIYLXOQGBNY-VXGBXAGGSA-N 2 2 260.378 0.070 20 0 CCADLP COCCO[C@@H]1C[C@@H](CO)C[N@@H+](CC(C)(C)[NH3+])C1 ZINC000261778067 137019830 /nfs/dbraw/zinc/01/98/30/137019830.db2.gz FFEJIYLXOQGBNY-VXGBXAGGSA-N 2 2 260.378 0.070 20 0 CCADLP O=c1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)nc2ccccn12 ZINC000261813143 137021110 /nfs/dbraw/zinc/02/11/10/137021110.db2.gz ZYMNDYYJICWLTP-MRXNPFEDSA-N 2 2 284.363 0.880 20 0 CCADLP O=c1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)nc2ccccn12 ZINC000261813143 137021111 /nfs/dbraw/zinc/02/11/11/137021111.db2.gz ZYMNDYYJICWLTP-MRXNPFEDSA-N 2 2 284.363 0.880 20 0 CCADLP Cc1ncc(C[NH+]2CCN(C(=O)C[C@H](C)[NH3+])CC2)s1 ZINC000261808587 137021186 /nfs/dbraw/zinc/02/11/86/137021186.db2.gz LPUGUKHIFUZECX-JTQLQIEISA-N 2 2 282.413 0.833 20 0 CCADLP C[C@H]([NH3+])CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000261858405 137022787 /nfs/dbraw/zinc/02/27/87/137022787.db2.gz PMWYZSKENDFWBN-AWEZNQCLSA-N 3 2 296.459 0.790 20 0 CCADLP Cc1ccncc1C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000261968451 137026972 /nfs/dbraw/zinc/02/69/72/137026972.db2.gz QBPATBQPTOBPND-HNNXBMFYSA-N 2 2 288.395 0.786 20 0 CCADLP Cc1ccncc1C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000261968451 137026973 /nfs/dbraw/zinc/02/69/73/137026973.db2.gz QBPATBQPTOBPND-HNNXBMFYSA-N 2 2 288.395 0.786 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000261979123 137027125 /nfs/dbraw/zinc/02/71/25/137027125.db2.gz VYJXONFAQRPYJL-CHWSQXEVSA-N 2 2 281.400 0.213 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000261979123 137027126 /nfs/dbraw/zinc/02/71/26/137027126.db2.gz VYJXONFAQRPYJL-CHWSQXEVSA-N 2 2 281.400 0.213 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000261988740 137027572 /nfs/dbraw/zinc/02/75/72/137027572.db2.gz XPIYSKFEMFSQMW-CYBMUJFWSA-N 2 2 295.427 0.603 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000261988740 137027573 /nfs/dbraw/zinc/02/75/73/137027573.db2.gz XPIYSKFEMFSQMW-CYBMUJFWSA-N 2 2 295.427 0.603 20 0 CCADLP C[NH+]1CCC(CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263243904 137061528 /nfs/dbraw/zinc/06/15/28/137061528.db2.gz PBJANQHWHJOPHH-SNVBAGLBSA-N 2 2 261.316 0.442 20 0 CCADLP CC(C)CCNC(=O)[C@@H](C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000314019534 137078745 /nfs/dbraw/zinc/07/87/45/137078745.db2.gz WOGMURYXFJULRK-HUUCEWRRSA-N 2 2 296.459 0.517 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)n(C)c1C ZINC000314499376 137078935 /nfs/dbraw/zinc/07/89/35/137078935.db2.gz MITMKRDVNRYIRI-OAHLLOKOSA-N 2 2 297.399 0.522 20 0 CCADLP COCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC(=O)N(C)C)C1 ZINC000328332000 137080075 /nfs/dbraw/zinc/08/00/75/137080075.db2.gz HYDVEBYMFOLCHI-RYUDHWBXSA-N 2 2 257.378 0.164 20 0 CCADLP COCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC(=O)N(C)C)C1 ZINC000328332000 137080076 /nfs/dbraw/zinc/08/00/76/137080076.db2.gz HYDVEBYMFOLCHI-RYUDHWBXSA-N 2 2 257.378 0.164 20 0 CCADLP CNC(=O)N[C@H]1CC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000342380445 137090529 /nfs/dbraw/zinc/09/05/29/137090529.db2.gz SNMFRTHKSMOYFX-NSHDSACASA-N 2 2 251.334 0.195 20 0 CCADLP CNC(=O)N[C@H]1CC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000342380445 137090530 /nfs/dbraw/zinc/09/05/30/137090530.db2.gz SNMFRTHKSMOYFX-NSHDSACASA-N 2 2 251.334 0.195 20 0 CCADLP [NH3+]CC[N@H+](CCO)CCC(=O)Nc1ccc(F)cc1 ZINC000342394048 137091315 /nfs/dbraw/zinc/09/13/15/137091315.db2.gz WRVKJBBTRYPBOP-UHFFFAOYSA-N 2 2 269.320 0.407 20 0 CCADLP [NH3+]CC[N@@H+](CCO)CCC(=O)Nc1ccc(F)cc1 ZINC000342394048 137091316 /nfs/dbraw/zinc/09/13/16/137091316.db2.gz WRVKJBBTRYPBOP-UHFFFAOYSA-N 2 2 269.320 0.407 20 0 CCADLP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000263243196 137061308 /nfs/dbraw/zinc/06/13/08/137061308.db2.gz OYLVCMZWRQKION-TZMCWYRMSA-N 2 2 269.389 0.342 20 0 CCADLP NS(=O)(=O)CC1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000343681436 137149040 /nfs/dbraw/zinc/14/90/40/137149040.db2.gz WYTFJNZDKUCMBI-UHFFFAOYSA-N 2 2 286.401 0.274 20 0 CCADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000343878502 137163881 /nfs/dbraw/zinc/16/38/81/137163881.db2.gz XLVKGSLFQJMKCC-ZDUSSCGKSA-N 2 2 291.399 0.064 20 0 CCADLP Cc1nnc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)n1C ZINC000344030457 137174593 /nfs/dbraw/zinc/17/45/93/137174593.db2.gz CPDGVPMDZMXWJA-UHFFFAOYSA-N 2 2 282.436 0.439 20 0 CCADLP Cc1nnc(C[N@H+](C)CCCN(C)CC[NH+](C)C)n1C ZINC000344030457 137174594 /nfs/dbraw/zinc/17/45/94/137174594.db2.gz CPDGVPMDZMXWJA-UHFFFAOYSA-N 2 2 282.436 0.439 20 0 CCADLP [NH3+]Cc1cc(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)ccn1 ZINC000344102464 137177660 /nfs/dbraw/zinc/17/76/60/137177660.db2.gz OMCLATMZQFSVGO-CQSZACIVSA-N 2 2 290.367 0.133 20 0 CCADLP [NH3+]Cc1cc(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)ccn1 ZINC000344102464 137177661 /nfs/dbraw/zinc/17/76/61/137177661.db2.gz OMCLATMZQFSVGO-CQSZACIVSA-N 2 2 290.367 0.133 20 0 CCADLP C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC000684432744 545668548 /nfs/dbraw/zinc/66/85/48/545668548.db2.gz LRMLMKUOOQHIKJ-UKRRQHHQSA-N 2 2 295.427 0.840 20 0 CCADLP C[N@H+]1CCC[C@@H](NC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC000684432744 545668553 /nfs/dbraw/zinc/66/85/53/545668553.db2.gz LRMLMKUOOQHIKJ-UKRRQHHQSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC[C@@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000684432744 545668557 /nfs/dbraw/zinc/66/85/57/545668557.db2.gz LRMLMKUOOQHIKJ-UKRRQHHQSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC[C@@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000684432744 545668561 /nfs/dbraw/zinc/66/85/61/545668561.db2.gz LRMLMKUOOQHIKJ-UKRRQHHQSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000344219698 137184604 /nfs/dbraw/zinc/18/46/04/137184604.db2.gz GHKJRMMABGCXLU-QLFBSQMISA-N 2 2 296.459 0.469 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000344219698 137184605 /nfs/dbraw/zinc/18/46/05/137184605.db2.gz GHKJRMMABGCXLU-QLFBSQMISA-N 2 2 296.459 0.469 20 0 CCADLP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC000684432745 545669015 /nfs/dbraw/zinc/66/90/15/545669015.db2.gz LRMLMKUOOQHIKJ-ZFWWWQNUSA-N 2 2 295.427 0.840 20 0 CCADLP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC000684432745 545669021 /nfs/dbraw/zinc/66/90/21/545669021.db2.gz LRMLMKUOOQHIKJ-ZFWWWQNUSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC[C@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000684432745 545669029 /nfs/dbraw/zinc/66/90/29/545669029.db2.gz LRMLMKUOOQHIKJ-ZFWWWQNUSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC[C@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000684432745 545669033 /nfs/dbraw/zinc/66/90/33/545669033.db2.gz LRMLMKUOOQHIKJ-ZFWWWQNUSA-N 2 2 295.427 0.840 20 0 CCADLP CC[N@@H+]1CC[C@H]2OCCN(Cc3[nH+]ccn3C)[C@@H]2C1 ZINC000339379030 215134141 /nfs/dbraw/zinc/13/41/41/215134141.db2.gz NFWHCEWJGWKFND-CHWSQXEVSA-N 2 2 264.373 0.715 20 0 CCADLP CC[N@H+]1CC[C@H]2OCCN(Cc3[nH+]ccn3C)[C@@H]2C1 ZINC000339379030 215134143 /nfs/dbraw/zinc/13/41/43/215134143.db2.gz NFWHCEWJGWKFND-CHWSQXEVSA-N 2 2 264.373 0.715 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000019479703 348063076 /nfs/dbraw/zinc/06/30/76/348063076.db2.gz ANQUNMLEIBSFFQ-HNNXBMFYSA-N 2 2 273.380 0.865 20 0 CCADLP OCCOCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000034991887 348153616 /nfs/dbraw/zinc/15/36/16/348153616.db2.gz GICFBFBXQGQWOY-UHFFFAOYSA-N 2 2 261.325 0.971 20 0 CCADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CSC[NH2+]1 ZINC000037008456 348178017 /nfs/dbraw/zinc/17/80/17/348178017.db2.gz YVHVFZGYKWWHII-LBPRGKRZSA-N 2 2 292.408 0.829 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C1([NH3+])CCCC1 ZINC000037616322 348194130 /nfs/dbraw/zinc/19/41/30/348194130.db2.gz JHYIPLWACKWUEY-LLVKDONJSA-N 2 2 255.362 0.095 20 0 CCADLP O=C(C1CC[NH2+]CC1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000037800347 348205581 /nfs/dbraw/zinc/20/55/81/348205581.db2.gz HDIKMSZJXNFBAX-UHFFFAOYSA-N 2 2 288.395 0.725 20 0 CCADLP O=C([C@@H]1CSC[NH2+]1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000037812684 348208417 /nfs/dbraw/zinc/20/84/17/348208417.db2.gz RTYCIYNMHFSXPF-MNOVXSKESA-N 2 2 255.387 0.346 20 0 CCADLP O=C([C@@H]1CSC[NH2+]1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000037812684 348208421 /nfs/dbraw/zinc/20/84/21/348208421.db2.gz RTYCIYNMHFSXPF-MNOVXSKESA-N 2 2 255.387 0.346 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000345180664 137238583 /nfs/dbraw/zinc/23/85/83/137238583.db2.gz SBRULGMJFPBMMS-ILXRZTDVSA-N 3 2 269.433 0.763 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000345180664 137238584 /nfs/dbraw/zinc/23/85/84/137238584.db2.gz SBRULGMJFPBMMS-ILXRZTDVSA-N 3 2 269.433 0.763 20 0 CCADLP CCOC(=O)CC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602893902 362870480 /nfs/dbraw/zinc/87/04/80/362870480.db2.gz XAZOOBJJCWJCEW-ZDUSSCGKSA-N 2 2 258.362 0.328 20 0 CCADLP CCOC(=O)CC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602893902 362870482 /nfs/dbraw/zinc/87/04/82/362870482.db2.gz XAZOOBJJCWJCEW-ZDUSSCGKSA-N 2 2 258.362 0.328 20 0 CCADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nnnn2C)[C@@H](C)C1 ZINC000346557871 137292819 /nfs/dbraw/zinc/29/28/19/137292819.db2.gz IVXXACRJQNHMRN-QWHCGFSZSA-N 2 2 296.419 0.437 20 0 CCADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nnnn2C)[C@@H](C)C1 ZINC000346557871 137292820 /nfs/dbraw/zinc/29/28/20/137292820.db2.gz IVXXACRJQNHMRN-QWHCGFSZSA-N 2 2 296.419 0.437 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000043588507 348311032 /nfs/dbraw/zinc/31/10/32/348311032.db2.gz VQUIVYDQVHASAK-ZIAGYGMSSA-N 2 2 283.416 0.603 20 0 CCADLP C[NH2+]CCC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000043618683 348311790 /nfs/dbraw/zinc/31/17/90/348311790.db2.gz MKCBMPWAIMGPQT-UHFFFAOYSA-N 2 2 278.356 0.144 20 0 CCADLP COCC[NH+]1CCC([NH2+]CC(=O)NCc2ccco2)CC1 ZINC000346148574 137269588 /nfs/dbraw/zinc/26/95/88/137269588.db2.gz XFFWTUHPYVYDAM-UHFFFAOYSA-N 2 2 295.383 0.596 20 0 CCADLP CC[C@H](C(=O)N[C@@H](C)C[NH+](C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000346165051 137270911 /nfs/dbraw/zinc/27/09/11/137270911.db2.gz DMHAMCDRSUHJQJ-BFHYXJOUSA-N 2 2 285.432 0.942 20 0 CCADLP CC[C@H](C(=O)N[C@@H](C)C[NH+](C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000346165051 137270912 /nfs/dbraw/zinc/27/09/12/137270912.db2.gz DMHAMCDRSUHJQJ-BFHYXJOUSA-N 2 2 285.432 0.942 20 0 CCADLP O=C(NCCn1cc[nH+]c1)[C@H]1[NH2+]CCc2ccccc21 ZINC000044427092 348319401 /nfs/dbraw/zinc/31/94/01/348319401.db2.gz IMLXNVFCGGGHEU-AWEZNQCLSA-N 2 2 270.336 0.886 20 0 CCADLP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH+]1CCN(C)CC1 ZINC000346956076 137313199 /nfs/dbraw/zinc/31/31/99/137313199.db2.gz BCUDKCCUUXAVEO-CQSZACIVSA-N 2 2 296.459 0.470 20 0 CCADLP O=C(NCCCCn1cc[nH+]c1)[C@@H]1CSC[NH2+]1 ZINC000045109151 348333277 /nfs/dbraw/zinc/33/32/77/348333277.db2.gz HZJXEQJSUGTINC-JTQLQIEISA-N 2 2 254.359 0.442 20 0 CCADLP O=C(C[NH+]1CCN(C[C@@H]2CCC[NH2+]C2)CC1)N1CCCC1 ZINC000346821670 137306261 /nfs/dbraw/zinc/30/62/61/137306261.db2.gz JDRUYZLCYMYSLR-OAHLLOKOSA-N 2 2 294.443 0.226 20 0 CCADLP O=C(CN1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1)N1CCCC1 ZINC000346821670 137306262 /nfs/dbraw/zinc/30/62/62/137306262.db2.gz JDRUYZLCYMYSLR-OAHLLOKOSA-N 2 2 294.443 0.226 20 0 CCADLP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000349310844 137391429 /nfs/dbraw/zinc/39/14/29/137391429.db2.gz HQEIIJNXEVSZAG-RRFJBIMHSA-N 3 2 268.449 0.552 20 0 CCADLP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000349310844 137391430 /nfs/dbraw/zinc/39/14/30/137391430.db2.gz HQEIIJNXEVSZAG-RRFJBIMHSA-N 3 2 268.449 0.552 20 0 CCADLP O=C(CCOC1C[NH2+]C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000348997499 137383192 /nfs/dbraw/zinc/38/31/92/137383192.db2.gz ZJQCTEXRDPBBEC-UHFFFAOYSA-N 2 2 290.367 0.109 20 0 CCADLP C[C@H](CC[NH3+])NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000349963009 137409318 /nfs/dbraw/zinc/40/93/18/137409318.db2.gz OAMDGMFHINQYPB-CYBMUJFWSA-N 2 2 291.395 0.986 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCCn2cc[nH+]c2)C1 ZINC000049415358 348451315 /nfs/dbraw/zinc/45/13/15/348451315.db2.gz RFYAPWXJGKTWLJ-ZDUSSCGKSA-N 2 2 279.388 0.913 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCCn2cc[nH+]c2)C1 ZINC000049415358 348451316 /nfs/dbraw/zinc/45/13/16/348451316.db2.gz RFYAPWXJGKTWLJ-ZDUSSCGKSA-N 2 2 279.388 0.913 20 0 CCADLP CC(=O)N1CC[C@@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000120577041 349993855 /nfs/dbraw/zinc/99/38/55/349993855.db2.gz BZSUFEFWTROTHN-RAIGVLPGSA-N 2 2 251.374 0.822 20 0 CCADLP CC(=O)N1CC[C@@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000120577041 349993857 /nfs/dbraw/zinc/99/38/57/349993857.db2.gz BZSUFEFWTROTHN-RAIGVLPGSA-N 2 2 251.374 0.822 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)NCCn2cc[nH+]c2)C1 ZINC000049415356 348451811 /nfs/dbraw/zinc/45/18/11/348451811.db2.gz RFYAPWXJGKTWLJ-CYBMUJFWSA-N 2 2 279.388 0.913 20 0 CCADLP CC(C)[N@H+]1CC[C@H](CNC(=O)NCCn2cc[nH+]c2)C1 ZINC000049415356 348451814 /nfs/dbraw/zinc/45/18/14/348451814.db2.gz RFYAPWXJGKTWLJ-CYBMUJFWSA-N 2 2 279.388 0.913 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000054172056 348544812 /nfs/dbraw/zinc/54/48/12/348544812.db2.gz HXNZKPKCHJWQGH-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCO[C@H](C)C2)CC1 ZINC000054172056 348544815 /nfs/dbraw/zinc/54/48/15/348544815.db2.gz HXNZKPKCHJWQGH-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP O=C(Nc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CC[NH2+]C1 ZINC000062113713 348664004 /nfs/dbraw/zinc/66/40/04/348664004.db2.gz SXZRASYOZONCJK-SNVBAGLBSA-N 2 2 257.297 0.815 20 0 CCADLP [NH3+]Cc1ccc(C(=O)N2CCn3cc[nH+]c3C2)cc1 ZINC000062248134 348666823 /nfs/dbraw/zinc/66/68/23/348666823.db2.gz WZLPMYASFFDUSB-UHFFFAOYSA-N 2 2 256.309 0.998 20 0 CCADLP CC(C)[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH+]1CCOCC1 ZINC000063465813 348685684 /nfs/dbraw/zinc/68/56/84/348685684.db2.gz UZNYGYCGHGKDPF-CQSZACIVSA-N 2 2 285.432 0.800 20 0 CCADLP CC(C)[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[NH+]1CCOCC1 ZINC000063465813 348685686 /nfs/dbraw/zinc/68/56/86/348685686.db2.gz UZNYGYCGHGKDPF-CQSZACIVSA-N 2 2 285.432 0.800 20 0 CCADLP CC[NH+](CC)CC(=O)NCCNc1cccc[nH+]1 ZINC000063704226 348690537 /nfs/dbraw/zinc/69/05/37/348690537.db2.gz AOIXNKVDOJIRDA-UHFFFAOYSA-N 2 2 250.346 0.952 20 0 CCADLP CC[NH+](CC)CCC[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000069135243 348832356 /nfs/dbraw/zinc/83/23/56/348832356.db2.gz SKKTXPLHIAFPGF-LBPRGKRZSA-N 2 2 262.419 0.885 20 0 CCADLP CN(C)C(=O)CC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000070143626 348873725 /nfs/dbraw/zinc/87/37/25/348873725.db2.gz NMUVWYFUNSBIFI-UHFFFAOYSA-N 2 2 253.350 0.054 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070174477 348876932 /nfs/dbraw/zinc/87/69/32/348876932.db2.gz MTNFSGVNVNIBMZ-NEPJUHHUSA-N 2 2 284.404 0.527 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070174477 348876935 /nfs/dbraw/zinc/87/69/35/348876935.db2.gz MTNFSGVNVNIBMZ-NEPJUHHUSA-N 2 2 284.404 0.527 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000070174070 348876993 /nfs/dbraw/zinc/87/69/93/348876993.db2.gz LNOJSUFUJWKJDE-ZJUUUORDSA-N 2 2 268.361 0.034 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000070174070 348876996 /nfs/dbraw/zinc/87/69/96/348876996.db2.gz LNOJSUFUJWKJDE-ZJUUUORDSA-N 2 2 268.361 0.034 20 0 CCADLP [NH3+]CCC1CC[NH+](Cc2nnnn2C2CC2)CC1 ZINC000070188491 348877276 /nfs/dbraw/zinc/87/72/76/348877276.db2.gz MRZPIOBVDJEJLS-UHFFFAOYSA-N 2 2 250.350 0.569 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000073871169 348964285 /nfs/dbraw/zinc/96/42/85/348964285.db2.gz PORIIVGSNRZNRG-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCOC(C)(C)C2)CC1 ZINC000073871169 348964287 /nfs/dbraw/zinc/96/42/87/348964287.db2.gz PORIIVGSNRZNRG-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075861507 349055221 /nfs/dbraw/zinc/05/52/21/349055221.db2.gz MSMDNXIZCRJSOB-GFCCVEGCSA-N 2 2 284.404 0.638 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075861507 349055222 /nfs/dbraw/zinc/05/52/22/349055222.db2.gz MSMDNXIZCRJSOB-GFCCVEGCSA-N 2 2 284.404 0.638 20 0 CCADLP CCNC(=O)NC(=O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000075861507 349055223 /nfs/dbraw/zinc/05/52/23/349055223.db2.gz MSMDNXIZCRJSOB-GFCCVEGCSA-N 2 2 284.404 0.638 20 0 CCADLP CCNC(=O)NC(=O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000075861507 349055224 /nfs/dbraw/zinc/05/52/24/349055224.db2.gz MSMDNXIZCRJSOB-GFCCVEGCSA-N 2 2 284.404 0.638 20 0 CCADLP CN(C)c1nc(NC2CCN(CC[NH+](C)C)CC2)cc[nH+]1 ZINC000077189384 349100666 /nfs/dbraw/zinc/10/06/66/349100666.db2.gz AFZIGOQNNAIXQD-UHFFFAOYSA-N 2 2 292.431 0.981 20 0 CCADLP CN(C)CC[NH+]1CCC(Nc2cc[nH+]c(N(C)C)n2)CC1 ZINC000077189384 349100670 /nfs/dbraw/zinc/10/06/70/349100670.db2.gz AFZIGOQNNAIXQD-UHFFFAOYSA-N 2 2 292.431 0.981 20 0 CCADLP CC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1nccs1 ZINC000080304107 349207701 /nfs/dbraw/zinc/20/77/01/349207701.db2.gz IXYGZBLWJSOQFB-LLVKDONJSA-N 2 2 282.413 0.958 20 0 CCADLP Cc1cccc(NCCNC(=O)Cn2cc[nH+]c2)[nH+]1 ZINC000081466359 349267503 /nfs/dbraw/zinc/26/75/03/349267503.db2.gz XMWXNTRGMBZIOP-UHFFFAOYSA-N 2 2 259.313 0.815 20 0 CCADLP Nc1nc(-n2cccn2)cc(NCC[NH+]2CCCC2)[nH+]1 ZINC000538085757 290879172 /nfs/dbraw/zinc/87/91/72/290879172.db2.gz DVJNGXWINJBMJG-UHFFFAOYSA-N 2 2 273.344 0.583 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000081797954 349284095 /nfs/dbraw/zinc/28/40/95/349284095.db2.gz PPWCXINYLBYYOE-GFCCVEGCSA-N 2 2 252.362 0.976 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000081797954 349284096 /nfs/dbraw/zinc/28/40/96/349284096.db2.gz PPWCXINYLBYYOE-GFCCVEGCSA-N 2 2 252.362 0.976 20 0 CCADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)C(C)(C)C[NH+](C)C ZINC000085290555 349331937 /nfs/dbraw/zinc/33/19/37/349331937.db2.gz UZQINCVFBIOVDU-LLVKDONJSA-N 2 2 252.362 0.976 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)CCCn2cc[nH+]c2)[C@@H](C)C1 ZINC000684483094 545682766 /nfs/dbraw/zinc/68/27/66/545682766.db2.gz YBAGKOBMDLGNIR-KBPBESRZSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)CCCn2cc[nH+]c2)[C@@H](C)C1 ZINC000684483094 545682771 /nfs/dbraw/zinc/68/27/71/545682771.db2.gz YBAGKOBMDLGNIR-KBPBESRZSA-N 2 2 294.399 0.577 20 0 CCADLP CC[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000121774281 350055688 /nfs/dbraw/zinc/05/56/88/350055688.db2.gz GDXOIJCZWWBACY-UHFFFAOYSA-N 2 2 277.372 0.455 20 0 CCADLP CC(C)[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000121849968 350059300 /nfs/dbraw/zinc/05/93/00/350059300.db2.gz SBXRZINEYHDZKL-UHFFFAOYSA-N 2 2 291.399 0.844 20 0 CCADLP COC[C@H](O)C[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000126607682 350150216 /nfs/dbraw/zinc/15/02/16/350150216.db2.gz GMUXJSPHHZONKF-GFCCVEGCSA-N 2 2 281.356 0.220 20 0 CCADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NCCOc1ccccc1 ZINC000129089007 350205291 /nfs/dbraw/zinc/20/52/91/350205291.db2.gz SURNVNVNPNTXGV-KBPBESRZSA-N 2 2 291.395 0.993 20 0 CCADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NCCOc1ccccc1 ZINC000129089007 350205294 /nfs/dbraw/zinc/20/52/94/350205294.db2.gz SURNVNVNPNTXGV-KBPBESRZSA-N 2 2 291.395 0.993 20 0 CCADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NCC(F)(F)F ZINC000131608994 350281305 /nfs/dbraw/zinc/28/13/05/350281305.db2.gz YXDJOKAIKCJKMW-JGVFFNPUSA-N 2 2 253.268 0.334 20 0 CCADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NCC(F)(F)F ZINC000131608994 350281308 /nfs/dbraw/zinc/28/13/08/350281308.db2.gz YXDJOKAIKCJKMW-JGVFFNPUSA-N 2 2 253.268 0.334 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCC(=O)N1CCCCC1 ZINC000134202546 350357616 /nfs/dbraw/zinc/35/76/16/350357616.db2.gz KNTRLBZJGBAZSL-ZIAGYGMSSA-N 2 2 283.416 0.746 20 0 CCADLP CC[N@H+](CC(=O)N[C@@H](C)C[NH+]1CCOCC1)C1CC1 ZINC000151458196 350502809 /nfs/dbraw/zinc/50/28/09/350502809.db2.gz RWGCRNDCPAVBNW-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP CC[N@@H+](CC(=O)N[C@@H](C)C[NH+]1CCOCC1)C1CC1 ZINC000151458196 350502813 /nfs/dbraw/zinc/50/28/13/350502813.db2.gz RWGCRNDCPAVBNW-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP COC(=O)c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000107575477 186179428 /nfs/dbraw/zinc/17/94/28/186179428.db2.gz QRQGSTBKFSDXOE-AOOOYVTPSA-N 2 2 250.298 0.717 20 0 CCADLP COC(=O)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000107575477 186179430 /nfs/dbraw/zinc/17/94/30/186179430.db2.gz QRQGSTBKFSDXOE-AOOOYVTPSA-N 2 2 250.298 0.717 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000154258343 350580071 /nfs/dbraw/zinc/58/00/71/350580071.db2.gz FZBLQZDIVLAORN-UHFFFAOYSA-N 2 2 273.380 0.819 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000154258343 350580073 /nfs/dbraw/zinc/58/00/73/350580073.db2.gz FZBLQZDIVLAORN-UHFFFAOYSA-N 2 2 273.380 0.819 20 0 CCADLP Cc1ncc([C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)c(C)n1 ZINC000154291206 350582009 /nfs/dbraw/zinc/58/20/09/350582009.db2.gz FCNWKISRGZPQQD-BXKDBHETSA-N 2 2 252.362 0.667 20 0 CCADLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(-n2cnnn2)cc1 ZINC000154368386 350585769 /nfs/dbraw/zinc/58/57/69/350585769.db2.gz WWWIHVKNKPYPLV-RISCZKNCSA-N 2 2 290.371 0.235 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109792825 186271772 /nfs/dbraw/zinc/27/17/72/186271772.db2.gz USAOFQYLZGKOQF-JTQLQIEISA-N 2 2 279.344 0.364 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]C[C@@]2(C)CCCS2)CC1 ZINC000155605324 350619655 /nfs/dbraw/zinc/61/96/55/350619655.db2.gz UQPDCJZLMADSTI-CYBMUJFWSA-N 2 2 271.430 0.636 20 0 CCADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N(C)Cc2[nH]cc[nH+]2)C1(C)C ZINC000157314186 350642767 /nfs/dbraw/zinc/64/27/67/350642767.db2.gz NGZVTSVAIOSRIC-QMTHXVAHSA-N 2 2 280.372 0.901 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000110442798 186296150 /nfs/dbraw/zinc/29/61/50/186296150.db2.gz IPUFBFRPNGUYDS-FRRDWIJNSA-N 2 2 269.389 0.164 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000110442798 186296152 /nfs/dbraw/zinc/29/61/52/186296152.db2.gz IPUFBFRPNGUYDS-FRRDWIJNSA-N 2 2 269.389 0.164 20 0 CCADLP CS(=O)(=O)NCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109795165 186272653 /nfs/dbraw/zinc/27/26/53/186272653.db2.gz DMOMLDRTOIOTRX-UHFFFAOYSA-N 2 2 272.374 0.069 20 0 CCADLP CN1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@@H](C[NH3+])C1 ZINC000162626989 350748457 /nfs/dbraw/zinc/74/84/57/350748457.db2.gz GYFTWBLKXRAFSG-HNNXBMFYSA-N 2 2 299.378 0.587 20 0 CCADLP Cn1cc(C[NH2+]C[C@](C)(O)C[NH+](C)C)c(C(F)F)n1 ZINC000291164331 197938745 /nfs/dbraw/zinc/93/87/45/197938745.db2.gz IXVQENKTRJGXDQ-LBPRGKRZSA-N 2 2 276.331 0.760 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000164028866 350776440 /nfs/dbraw/zinc/77/64/40/350776440.db2.gz YNXBJDTWNDCVFY-NEPJUHHUSA-N 2 2 262.419 0.741 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000164028866 350776443 /nfs/dbraw/zinc/77/64/43/350776443.db2.gz YNXBJDTWNDCVFY-NEPJUHHUSA-N 2 2 262.419 0.741 20 0 CCADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000164721119 350782090 /nfs/dbraw/zinc/78/20/90/350782090.db2.gz QRBDDDKDRRJJLC-ZDUSSCGKSA-N 2 2 290.367 0.286 20 0 CCADLP Cc1noc(C)c1CC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000164804478 350783006 /nfs/dbraw/zinc/78/30/06/350783006.db2.gz RPWIQYSMWAZLQQ-UHFFFAOYSA-N 2 2 294.399 0.540 20 0 CCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)[C@@H]1CC[NH2+]C1 ZINC000165265768 350789080 /nfs/dbraw/zinc/78/90/80/350789080.db2.gz ARBOPYDBVAAFCP-LLVKDONJSA-N 2 2 262.357 0.488 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000168669909 350830148 /nfs/dbraw/zinc/83/01/48/350830148.db2.gz DKTOIEJQUOMSJZ-MNOVXSKESA-N 2 2 282.388 0.424 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000168669909 350830149 /nfs/dbraw/zinc/83/01/49/350830149.db2.gz DKTOIEJQUOMSJZ-MNOVXSKESA-N 2 2 282.388 0.424 20 0 CCADLP C[C@@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000168989127 350834436 /nfs/dbraw/zinc/83/44/36/350834436.db2.gz WTEMHGRHDAOFAZ-CHWSQXEVSA-N 2 2 291.399 0.056 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@@H](C)C(=O)OC)CC1 ZINC000172254134 350970221 /nfs/dbraw/zinc/97/02/21/350970221.db2.gz MFPMXRFBBIVVHJ-CHWSQXEVSA-N 2 2 299.415 0.280 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)C(=O)OC)CC1 ZINC000172254134 350970224 /nfs/dbraw/zinc/97/02/24/350970224.db2.gz MFPMXRFBBIVVHJ-CHWSQXEVSA-N 2 2 299.415 0.280 20 0 CCADLP O[C@@H](Cn1cccn1)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000171933543 350944696 /nfs/dbraw/zinc/94/46/96/350944696.db2.gz JLEWRRQZSDTKPA-CQSZACIVSA-N 2 2 275.356 0.778 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000174630744 351096228 /nfs/dbraw/zinc/09/62/28/351096228.db2.gz VBRRUQBKDLTIEZ-CYBMUJFWSA-N 2 2 292.383 0.485 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000174630744 351096231 /nfs/dbraw/zinc/09/62/31/351096231.db2.gz VBRRUQBKDLTIEZ-CYBMUJFWSA-N 2 2 292.383 0.485 20 0 CCADLP C[NH2+]CCCC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000178693585 351240361 /nfs/dbraw/zinc/24/03/61/351240361.db2.gz OCTPSQMZWHEAQC-UHFFFAOYSA-N 2 2 292.383 0.534 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+](Cc2ccccn2)C2CC2)CC1 ZINC000181348976 351313729 /nfs/dbraw/zinc/31/37/29/351313729.db2.gz NINYDBYVLXARNL-UHFFFAOYSA-N 2 2 288.395 0.820 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+](Cc2ccccn2)C2CC2)CC1 ZINC000181348976 351313733 /nfs/dbraw/zinc/31/37/33/351313733.db2.gz NINYDBYVLXARNL-UHFFFAOYSA-N 2 2 288.395 0.820 20 0 CCADLP c1cn(CCC[N@@H+]2CCO[C@]3(CCOC3)C2)c[nH+]1 ZINC000185201396 351438624 /nfs/dbraw/zinc/43/86/24/351438624.db2.gz FIMZDHDOHRISOH-CYBMUJFWSA-N 2 2 251.330 0.765 20 0 CCADLP c1cn(CCC[N@H+]2CCO[C@]3(CCOC3)C2)c[nH+]1 ZINC000185201396 351438628 /nfs/dbraw/zinc/43/86/28/351438628.db2.gz FIMZDHDOHRISOH-CYBMUJFWSA-N 2 2 251.330 0.765 20 0 CCADLP COCC[NH+]1CCN(C(=O)c2c[nH+]ccc2N)CC1 ZINC000188047133 351570653 /nfs/dbraw/zinc/57/06/53/351570653.db2.gz SDTBBPMEYFHTKH-UHFFFAOYSA-N 2 2 264.329 0.068 20 0 CCADLP C[C@@H](NC(=O)c1c[nH+]ccc1N)[C@H](C)[NH+]1CCOCC1 ZINC000188181263 351577645 /nfs/dbraw/zinc/57/76/45/351577645.db2.gz ABTLAMYCCLIOKB-MNOVXSKESA-N 2 2 278.356 0.503 20 0 CCADLP C[N@@H+]1CCC[C@@H](NC(=O)NCCn2cc[nH+]c2)C1 ZINC000618547755 366042201 /nfs/dbraw/zinc/04/22/01/366042201.db2.gz YEBZAVAVLQSCRP-LLVKDONJSA-N 2 2 251.334 0.277 20 0 CCADLP C[N@H+]1CCC[C@@H](NC(=O)NCCn2cc[nH+]c2)C1 ZINC000618547755 366042205 /nfs/dbraw/zinc/04/22/05/366042205.db2.gz YEBZAVAVLQSCRP-LLVKDONJSA-N 2 2 251.334 0.277 20 0 CCADLP CC[NH+](CC)[C@H](C)CNC(=O)NCCn1cc[nH+]c1 ZINC000193206867 351816022 /nfs/dbraw/zinc/81/60/22/351816022.db2.gz OCEOGFADLZZKSQ-GFCCVEGCSA-N 2 2 267.377 0.913 20 0 CCADLP C[N@@H+]1CCC[C@H]1CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000195121631 351897544 /nfs/dbraw/zinc/89/75/44/351897544.db2.gz GRYZNKOQNAJHDG-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP C[N@H+]1CCC[C@H]1CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000195121631 351897546 /nfs/dbraw/zinc/89/75/46/351897546.db2.gz GRYZNKOQNAJHDG-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]([NH3+])C2)C1 ZINC000225319022 352001423 /nfs/dbraw/zinc/00/14/23/352001423.db2.gz VUKDMYOEXZPTAU-NWDGAFQWSA-N 2 2 275.418 0.081 20 0 CCADLP CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H]([NH3+])C2)C1 ZINC000225319022 352001425 /nfs/dbraw/zinc/00/14/25/352001425.db2.gz VUKDMYOEXZPTAU-NWDGAFQWSA-N 2 2 275.418 0.081 20 0 CCADLP CN(C(=O)CCn1cc[nH+]c1)[C@H]1CCC[NH2+]CC1 ZINC000231474942 352128640 /nfs/dbraw/zinc/12/86/40/352128640.db2.gz PQZMEQZSLDONRO-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)no1 ZINC000231668947 352131486 /nfs/dbraw/zinc/13/14/86/352131486.db2.gz LXNNZHFVAMLTAD-LLVKDONJSA-N 2 2 266.345 0.995 20 0 CCADLP Cc1cc(NC(=O)C[N@H+](C)[C@@H]2CCC[NH2+]CC2)no1 ZINC000231668947 352131489 /nfs/dbraw/zinc/13/14/89/352131489.db2.gz LXNNZHFVAMLTAD-LLVKDONJSA-N 2 2 266.345 0.995 20 0 CCADLP C[C@H](CC[NH2+]Cc1c[nH+]c(N(C)C)n1C)[S@](C)=O ZINC000229787577 352096217 /nfs/dbraw/zinc/09/62/17/352096217.db2.gz LRVVIOVBLZZLOQ-MGNBDDOMSA-N 2 2 272.418 0.733 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000232115589 352140457 /nfs/dbraw/zinc/14/04/57/352140457.db2.gz IHXMITCYYSWMMM-ZDUSSCGKSA-N 2 2 297.424 0.756 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCc2ccccc2)[C@H](C[NH3+])C1 ZINC000232307156 352143664 /nfs/dbraw/zinc/14/36/64/352143664.db2.gz XCDYUUJKTAIIIY-CYBMUJFWSA-N 2 2 262.357 0.471 20 0 CCADLP C[N@H+]1CCN(C(=O)NCc2ccccc2)[C@H](C[NH3+])C1 ZINC000232307156 352143665 /nfs/dbraw/zinc/14/36/65/352143665.db2.gz XCDYUUJKTAIIIY-CYBMUJFWSA-N 2 2 262.357 0.471 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H]([NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000237437731 352265132 /nfs/dbraw/zinc/26/51/32/352265132.db2.gz XRJLPKGLADGAHH-GUTXKFCHSA-N 2 2 291.395 0.912 20 0 CCADLP C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000655416347 412564170 /nfs/dbraw/zinc/56/41/70/412564170.db2.gz QEKWWODLOIBFRR-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP COC(=O)CNC(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245611768 352331027 /nfs/dbraw/zinc/33/10/27/352331027.db2.gz OFAUVPKSJQZZFI-NWDGAFQWSA-N 2 2 294.355 0.055 20 0 CCADLP COC(=O)CNC(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245611768 352331028 /nfs/dbraw/zinc/33/10/28/352331028.db2.gz OFAUVPKSJQZZFI-NWDGAFQWSA-N 2 2 294.355 0.055 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000246238659 352355771 /nfs/dbraw/zinc/35/57/71/352355771.db2.gz IOPBEKWBUFEMJM-XQQFMLRXSA-N 2 2 269.389 0.211 20 0 CCADLP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655418966 412564656 /nfs/dbraw/zinc/56/46/56/412564656.db2.gz IJAWIZCTVBUCSO-LLVKDONJSA-N 2 2 264.373 0.889 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCn1cc[nH+]c1 ZINC000246413567 352365878 /nfs/dbraw/zinc/36/58/78/352365878.db2.gz VBEQAMLAYJUEEH-CHWSQXEVSA-N 2 2 279.388 0.865 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCCn1cc[nH+]c1 ZINC000246413567 352365880 /nfs/dbraw/zinc/36/58/80/352365880.db2.gz VBEQAMLAYJUEEH-CHWSQXEVSA-N 2 2 279.388 0.865 20 0 CCADLP CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246588673 352374303 /nfs/dbraw/zinc/37/43/03/352374303.db2.gz FTXHSFZYBUEBGP-KGLIPLIRSA-N 2 2 283.416 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COC(=O)CCNC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000248141918 352432215 /nfs/dbraw/zinc/43/22/15/352432215.db2.gz PSGLVHMCIGOFSF-CHWSQXEVSA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)CCNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000248141918 352432218 /nfs/dbraw/zinc/43/22/18/352432218.db2.gz PSGLVHMCIGOFSF-CHWSQXEVSA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)CCNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248141918 352432220 /nfs/dbraw/zinc/43/22/20/352432220.db2.gz PSGLVHMCIGOFSF-CHWSQXEVSA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)CCNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248141918 352432223 /nfs/dbraw/zinc/43/22/23/352432223.db2.gz PSGLVHMCIGOFSF-CHWSQXEVSA-N 2 2 297.399 0.082 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000247169542 352402718 /nfs/dbraw/zinc/40/27/18/352402718.db2.gz QZTDXMSBHDKQKB-TZMCWYRMSA-N 2 2 295.383 0.719 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000247169542 352402720 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CN1CC[N@@H+](C)[C@H](CNC(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000250366080 352504579 /nfs/dbraw/zinc/50/45/79/352504579.db2.gz GBLUOXJUBNZAGC-ZIAGYGMSSA-N 2 2 282.432 0.128 20 0 CCADLP C[N@H+](CC(=O)NC[C@@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250406091 352505266 /nfs/dbraw/zinc/50/52/66/352505266.db2.gz NCDMZDBNDLVGNM-PIGZVRMJSA-N 2 2 281.400 0.496 20 0 CCADLP C[N@@H+](CC(=O)NC[C@@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250406091 352505267 /nfs/dbraw/zinc/50/52/67/352505267.db2.gz NCDMZDBNDLVGNM-PIGZVRMJSA-N 2 2 281.400 0.496 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252731841 352524373 /nfs/dbraw/zinc/52/43/73/352524373.db2.gz RVKAPMOPOJGIKO-GRYCIOLGSA-N 2 2 262.419 0.739 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252731841 352524378 /nfs/dbraw/zinc/52/43/78/352524378.db2.gz RVKAPMOPOJGIKO-GRYCIOLGSA-N 2 2 262.419 0.739 20 0 CCADLP C[C@@H]1C[NH+](CCN(C)CC[N@@H+]2CCO[C@@H](C)C2)C[C@H](C)O1 ZINC000253355905 352531388 /nfs/dbraw/zinc/53/13/88/352531388.db2.gz WBAZZVCMMGHFFO-HRCADAONSA-N 2 2 299.459 0.748 20 0 CCADLP C[C@@H]1C[NH+](CCN(C)CC[N@H+]2CCO[C@@H](C)C2)C[C@H](C)O1 ZINC000253355905 352531392 /nfs/dbraw/zinc/53/13/92/352531392.db2.gz WBAZZVCMMGHFFO-HRCADAONSA-N 2 2 299.459 0.748 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)CC[NH+]2CCO[C@@H](C)C2)C[C@H](C)O1 ZINC000253355905 352531396 /nfs/dbraw/zinc/53/13/96/352531396.db2.gz WBAZZVCMMGHFFO-HRCADAONSA-N 2 2 299.459 0.748 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)CC[NH+]2CCO[C@@H](C)C2)C[C@H](C)O1 ZINC000253355905 352531399 /nfs/dbraw/zinc/53/13/99/352531399.db2.gz WBAZZVCMMGHFFO-HRCADAONSA-N 2 2 299.459 0.748 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NCC[NH+]1CCSCC1 ZINC000264827263 352600875 /nfs/dbraw/zinc/60/08/75/352600875.db2.gz IENKKBBFFNFEFY-UHFFFAOYSA-N 2 2 283.401 0.268 20 0 CCADLP CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262098594 352577732 /nfs/dbraw/zinc/57/77/32/352577732.db2.gz VKAWPQCUBDBNGU-CHWSQXEVSA-N 2 2 289.445 0.388 20 0 CCADLP CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262098594 352577735 /nfs/dbraw/zinc/57/77/35/352577735.db2.gz VKAWPQCUBDBNGU-CHWSQXEVSA-N 2 2 289.445 0.388 20 0 CCADLP CCn1cc(C[N@H+](CCO)C[C@@]2(C)CC[NH2+]C2)cn1 ZINC000262148124 352583532 /nfs/dbraw/zinc/58/35/32/352583532.db2.gz ZPLLAZJGYFXJEM-AWEZNQCLSA-N 2 2 266.389 0.697 20 0 CCADLP CCn1cc(C[N@@H+](CCO)C[C@@]2(C)CC[NH2+]C2)cn1 ZINC000262148124 352583535 /nfs/dbraw/zinc/58/35/35/352583535.db2.gz ZPLLAZJGYFXJEM-AWEZNQCLSA-N 2 2 266.389 0.697 20 0 CCADLP CNC(=O)NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265500778 352642522 /nfs/dbraw/zinc/64/25/22/352642522.db2.gz OYGLSTPGCSKMOV-UHFFFAOYSA-N 2 2 265.317 0.045 20 0 CCADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)C[NH+]1CCOCC1 ZINC000265678440 352656508 /nfs/dbraw/zinc/65/65/08/352656508.db2.gz DJUVVLUJJOHAGW-ZDUSSCGKSA-N 2 2 280.372 0.358 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CCn2cccn2)CC1 ZINC000266948069 352735586 /nfs/dbraw/zinc/73/55/86/352735586.db2.gz TUEVERDVIYGCPE-UHFFFAOYSA-N 2 2 260.345 0.439 20 0 CCADLP C[NH+](C)[C@@]1(CNC(=O)CCn2cc[nH+]c2)CCSC1 ZINC000267106065 352744922 /nfs/dbraw/zinc/74/49/22/352744922.db2.gz MCDOCSJVSFEPPI-CYBMUJFWSA-N 2 2 282.413 0.827 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)N1CCNC1=O ZINC000267454596 352768134 /nfs/dbraw/zinc/76/81/34/352768134.db2.gz SPCTYANRQPAELF-SNVBAGLBSA-N 2 2 277.328 0.141 20 0 CCADLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)N1CCNC1=O ZINC000267454596 352768137 /nfs/dbraw/zinc/76/81/37/352768137.db2.gz SPCTYANRQPAELF-SNVBAGLBSA-N 2 2 277.328 0.141 20 0 CCADLP C[NH+](C)CCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000269733758 352869767 /nfs/dbraw/zinc/86/97/67/352869767.db2.gz ZGHVSGOXOJQJMF-UHFFFAOYSA-N 2 2 291.395 0.810 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000270834839 352993146 /nfs/dbraw/zinc/99/31/46/352993146.db2.gz DTYZDTNJPOEQGK-LBPRGKRZSA-N 2 2 286.401 0.192 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000270834839 352993149 /nfs/dbraw/zinc/99/31/49/352993149.db2.gz DTYZDTNJPOEQGK-LBPRGKRZSA-N 2 2 286.401 0.192 20 0 CCADLP Cn1cc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)cn1 ZINC000270519903 352942823 /nfs/dbraw/zinc/94/28/23/352942823.db2.gz LVOJYTSPBNDKDI-UHFFFAOYSA-N 2 2 260.345 0.476 20 0 CCADLP C[NH+]1CCN(c2ncc(C[N@H+](CCO)C3CC3)cn2)CC1 ZINC000271054687 353017870 /nfs/dbraw/zinc/01/78/70/353017870.db2.gz CGZUMUWGJGWBQI-UHFFFAOYSA-N 2 2 291.399 0.185 20 0 CCADLP C[NH+]1CCN(c2ncc(C[N@@H+](CCO)C3CC3)cn2)CC1 ZINC000271054687 353017874 /nfs/dbraw/zinc/01/78/74/353017874.db2.gz CGZUMUWGJGWBQI-UHFFFAOYSA-N 2 2 291.399 0.185 20 0 CCADLP Cc1cc(N2CC[NH+](CC(=O)NC3CC3)CC2)cc[nH+]1 ZINC000274336847 353121107 /nfs/dbraw/zinc/12/11/07/353121107.db2.gz HESRFKWYYDUBPB-UHFFFAOYSA-N 2 2 274.368 0.791 20 0 CCADLP [NH3+]C[C@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)CCO1 ZINC000274716829 353155990 /nfs/dbraw/zinc/15/59/90/353155990.db2.gz AOKHAMNICBZTSF-LBPRGKRZSA-N 2 2 274.324 0.063 20 0 CCADLP CC[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@@H+]1C[C@H](C)O ZINC000283625831 353519410 /nfs/dbraw/zinc/51/94/10/353519410.db2.gz BBDLOFPAQFBNRY-ZWYFHCDOSA-N 2 2 292.383 0.727 20 0 CCADLP CC[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@H+]1C[C@H](C)O ZINC000283625831 353519411 /nfs/dbraw/zinc/51/94/11/353519411.db2.gz BBDLOFPAQFBNRY-ZWYFHCDOSA-N 2 2 292.383 0.727 20 0 CCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000655458056 412580627 /nfs/dbraw/zinc/58/06/27/412580627.db2.gz KCNZVCPTFXYZJY-YNEHKIRRSA-N 2 2 274.368 0.656 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000284145113 353552469 /nfs/dbraw/zinc/55/24/69/353552469.db2.gz WEYXJWVGWHSUAA-PCAWENJQSA-N 2 2 278.356 0.602 20 0 CCADLP COCC[N@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000284145113 353552471 /nfs/dbraw/zinc/55/24/71/353552471.db2.gz WEYXJWVGWHSUAA-PCAWENJQSA-N 2 2 278.356 0.602 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCN(CC(F)F)CC1 ZINC000290081990 353706510 /nfs/dbraw/zinc/70/65/10/353706510.db2.gz QSFPERTYCGJVKY-UHFFFAOYSA-N 2 2 258.316 0.845 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1[nH+]ccn1C ZINC000290158867 353711986 /nfs/dbraw/zinc/71/19/86/353711986.db2.gz LULQSCUVONQMFN-PWSUYJOCSA-N 2 2 250.346 0.670 20 0 CCADLP CO[C@H](C[NH3+])C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000290241995 353716760 /nfs/dbraw/zinc/71/67/60/353716760.db2.gz VMWUVTCVGNLARZ-LLVKDONJSA-N 2 2 262.313 0.233 20 0 CCADLP C[C@@H]([NH2+]C1CC1)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000295808241 353919353 /nfs/dbraw/zinc/91/93/53/353919353.db2.gz TXDCUBBGYKJFFO-LLVKDONJSA-N 2 2 250.346 0.872 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000299640046 354034923 /nfs/dbraw/zinc/03/49/23/354034923.db2.gz QCGJWTWKJOMRGU-LBPRGKRZSA-N 2 2 277.372 0.761 20 0 CCADLP C=Cn1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cn1 ZINC000300251384 354060384 /nfs/dbraw/zinc/06/03/84/354060384.db2.gz DQAHJSOVVHXRES-UONOGXRCSA-N 2 2 262.357 0.936 20 0 CCADLP C=Cn1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cn1 ZINC000300251384 354060386 /nfs/dbraw/zinc/06/03/86/354060386.db2.gz DQAHJSOVVHXRES-UONOGXRCSA-N 2 2 262.357 0.936 20 0 CCADLP C[N@H+]1CCN(C(=O)Nc2nc3c(s2)CCC3)[C@@H](C[NH3+])C1 ZINC000556947313 291018005 /nfs/dbraw/zinc/01/80/05/291018005.db2.gz CIRDYKJAZRXGJM-VIFPVBQESA-N 2 2 295.412 0.738 20 0 CCADLP CC[C@@H]1CN(c2cc[nH+]c(N(C)C)n2)CC[N@@H+]1C[C@@H](C)O ZINC000607145033 363339802 /nfs/dbraw/zinc/33/98/02/363339802.db2.gz RSNWUKCPANBXQA-CHWSQXEVSA-N 2 2 293.415 0.824 20 0 CCADLP CC[C@@H]1CN(c2cc[nH+]c(N(C)C)n2)CC[N@H+]1C[C@@H](C)O ZINC000607145033 363339806 /nfs/dbraw/zinc/33/98/06/363339806.db2.gz RSNWUKCPANBXQA-CHWSQXEVSA-N 2 2 293.415 0.824 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000314493585 354222799 /nfs/dbraw/zinc/22/27/99/354222799.db2.gz DISXEOLNSQSILO-ZDUSSCGKSA-N 2 2 253.346 0.172 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@](O)(CO)C1 ZINC000314493585 354222801 /nfs/dbraw/zinc/22/28/01/354222801.db2.gz DISXEOLNSQSILO-ZDUSSCGKSA-N 2 2 253.346 0.172 20 0 CCADLP CC(C)(C)[C@@H](O)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000330365716 354328780 /nfs/dbraw/zinc/32/87/80/354328780.db2.gz PZWBYSLIKQFSAB-LBPRGKRZSA-N 2 2 266.389 0.934 20 0 CCADLP CO[C@H]1C[C@@H](CN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)[N@H+](C)C1 ZINC000330572522 354419091 /nfs/dbraw/zinc/41/90/91/354419091.db2.gz GDJUATFDWAUSEG-RYUDHWBXSA-N 2 2 294.399 0.865 20 0 CCADLP CO[C@H]1C[C@@H](CN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)[N@@H+](C)C1 ZINC000330572522 354419093 /nfs/dbraw/zinc/41/90/93/354419093.db2.gz GDJUATFDWAUSEG-RYUDHWBXSA-N 2 2 294.399 0.865 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CC2(CO)CCOCC2)n1C ZINC000331241374 354502116 /nfs/dbraw/zinc/50/21/16/354502116.db2.gz NCMUZJJRXFVYAU-UHFFFAOYSA-N 2 2 282.388 0.365 20 0 CCADLP CC[C@@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)c1[nH]cc[nH+]1 ZINC000331262839 354510019 /nfs/dbraw/zinc/51/00/19/354510019.db2.gz DWCYUHCPVAXCDE-VXGBXAGGSA-N 2 2 280.372 0.945 20 0 CCADLP C[C@@H](NC(=O)N(C)C1CC([NH3+])C1)[C@@H](C)[NH+]1CCOCC1 ZINC000331406581 354564616 /nfs/dbraw/zinc/56/46/16/354564616.db2.gz INTDWMFALUPVAZ-OKZRHMCRSA-N 2 2 284.404 0.227 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000331546767 354603806 /nfs/dbraw/zinc/60/38/06/354603806.db2.gz FKIGABDVNHCDJX-SWLSCSKDSA-N 2 2 296.415 0.638 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000331546767 354603808 /nfs/dbraw/zinc/60/38/08/354603808.db2.gz FKIGABDVNHCDJX-SWLSCSKDSA-N 2 2 296.415 0.638 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000331546767 354603811 /nfs/dbraw/zinc/60/38/11/354603811.db2.gz FKIGABDVNHCDJX-SWLSCSKDSA-N 2 2 296.415 0.638 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000331546767 354603813 /nfs/dbraw/zinc/60/38/13/354603813.db2.gz FKIGABDVNHCDJX-SWLSCSKDSA-N 2 2 296.415 0.638 20 0 CCADLP C[NH2+]C[C@@H]1CCCN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000333600578 354762229 /nfs/dbraw/zinc/76/22/29/354762229.db2.gz BXUMDEPVBHXVAM-ZDUSSCGKSA-N 2 2 296.415 0.245 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000333651700 354770750 /nfs/dbraw/zinc/77/07/50/354770750.db2.gz VWTMONIGPDPHGE-ZIAGYGMSSA-N 2 2 298.431 0.524 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000333651700 354770753 /nfs/dbraw/zinc/77/07/53/354770753.db2.gz VWTMONIGPDPHGE-ZIAGYGMSSA-N 2 2 298.431 0.524 20 0 CCADLP O=C(NC[C@@H]1CCC[NH2+]1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000333709078 354780031 /nfs/dbraw/zinc/78/00/31/354780031.db2.gz RZGUJKUKCVNRBT-UONOGXRCSA-N 2 2 296.415 0.245 20 0 CCADLP O=C(N[C@H]1CCC[NH2+]C1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000333754609 354788900 /nfs/dbraw/zinc/78/89/00/354788900.db2.gz ZORMHLQBYITMDX-QWHCGFSZSA-N 2 2 277.372 0.809 20 0 CCADLP C[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000332869486 354737309 /nfs/dbraw/zinc/73/73/09/354737309.db2.gz LLRPPUXSLFRAAE-VXGBXAGGSA-N 2 2 291.399 0.860 20 0 CCADLP C[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000332869486 354737314 /nfs/dbraw/zinc/73/73/14/354737314.db2.gz LLRPPUXSLFRAAE-VXGBXAGGSA-N 2 2 291.399 0.860 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000423099105 234927522 /nfs/dbraw/zinc/92/75/22/234927522.db2.gz AHIDLHTYPYRCMV-IMJJTQAJSA-N 2 2 278.396 0.947 20 0 CCADLP CO[C@H](C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)C1CC1 ZINC000423136834 234934696 /nfs/dbraw/zinc/93/46/96/234934696.db2.gz PSLBWTUDMKXQDJ-MGPQQGTHSA-N 2 2 254.374 0.768 20 0 CCADLP C[N@@H+]1CC[C@@H](NC(=O)NCC[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000417951368 283052085 /nfs/dbraw/zinc/05/20/85/283052085.db2.gz LJPDWCINJUSCRD-CHWSQXEVSA-N 2 2 298.337 0.968 20 0 CCADLP C[N@H+]1CC[C@@H](NC(=O)NCC[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000417951368 283052087 /nfs/dbraw/zinc/05/20/87/283052087.db2.gz LJPDWCINJUSCRD-CHWSQXEVSA-N 2 2 298.337 0.968 20 0 CCADLP CC(C)[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[N@@H+]1C ZINC000557822038 291045350 /nfs/dbraw/zinc/04/53/50/291045350.db2.gz ZAILNZJLWDNXCG-CYBMUJFWSA-N 2 2 264.373 0.761 20 0 CCADLP CC(C)[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[N@H+]1C ZINC000557822038 291045351 /nfs/dbraw/zinc/04/53/51/291045351.db2.gz ZAILNZJLWDNXCG-CYBMUJFWSA-N 2 2 264.373 0.761 20 0 CCADLP C[C@]1(C[NH3+])CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000423604520 235017559 /nfs/dbraw/zinc/01/75/59/235017559.db2.gz GGOVWRXQDOGNQP-GOEBONIOSA-N 2 2 295.427 0.685 20 0 CCADLP C[C@]1(C[NH3+])CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000423604520 235017563 /nfs/dbraw/zinc/01/75/63/235017563.db2.gz GGOVWRXQDOGNQP-GOEBONIOSA-N 2 2 295.427 0.685 20 0 CCADLP C[C@@]1(C[NH3+])CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000423604522 235017576 /nfs/dbraw/zinc/01/75/76/235017576.db2.gz GGOVWRXQDOGNQP-HOCLYGCPSA-N 2 2 295.427 0.685 20 0 CCADLP C[C@@]1(C[NH3+])CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000423604522 235017580 /nfs/dbraw/zinc/01/75/80/235017580.db2.gz GGOVWRXQDOGNQP-HOCLYGCPSA-N 2 2 295.427 0.685 20 0 CCADLP C[C@@H](CC(=O)N(C)CC[NH+]1CCOCC1)C1CC[NH2+]CC1 ZINC000423738225 235049334 /nfs/dbraw/zinc/04/93/34/235049334.db2.gz FYINMXBOMGRGLN-AWEZNQCLSA-N 2 2 297.443 0.803 20 0 CCADLP Cc1csc(=O)n1CC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000335844930 355026753 /nfs/dbraw/zinc/02/67/53/355026753.db2.gz REONGLZUHYQQRD-ZDUSSCGKSA-N 2 2 267.398 0.904 20 0 CCADLP Cc1csc(=O)n1CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000335844930 355026756 /nfs/dbraw/zinc/02/67/56/355026756.db2.gz REONGLZUHYQQRD-ZDUSSCGKSA-N 2 2 267.398 0.904 20 0 CCADLP C[C@H]([NH3+])CC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000423864438 235098011 /nfs/dbraw/zinc/09/80/11/235098011.db2.gz JNODCOPSXGFXRT-WCQYABFASA-N 2 2 269.389 0.293 20 0 CCADLP C[C@H]([NH3+])CC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000423864438 235098013 /nfs/dbraw/zinc/09/80/13/235098013.db2.gz JNODCOPSXGFXRT-WCQYABFASA-N 2 2 269.389 0.293 20 0 CCADLP C[C@H]([NH3+])CCC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000423868384 235100574 /nfs/dbraw/zinc/10/05/74/235100574.db2.gz NKEBHKOVYFXGLA-GXTWGEPZSA-N 2 2 283.416 0.683 20 0 CCADLP C[C@H]([NH3+])CCC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000423868384 235100579 /nfs/dbraw/zinc/10/05/79/235100579.db2.gz NKEBHKOVYFXGLA-GXTWGEPZSA-N 2 2 283.416 0.683 20 0 CCADLP Nc1cc[nH+]cc1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000423804297 235087381 /nfs/dbraw/zinc/08/73/81/235087381.db2.gz QXAYLACCLJSTAK-LLVKDONJSA-N 2 2 283.335 0.898 20 0 CCADLP CC(C)[C@H](O)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000336791211 355163998 /nfs/dbraw/zinc/16/39/98/355163998.db2.gz ZSZOWCPUPIGSRM-GFCCVEGCSA-N 2 2 252.362 0.544 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+](C)C[C@H]1CCCCO1)C1CC1 ZINC000336792932 355165605 /nfs/dbraw/zinc/16/56/05/355165605.db2.gz UTXASMLEJNAHMM-UONOGXRCSA-N 2 2 256.390 0.942 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+](C)C[C@H]1CCCCO1)C1CC1 ZINC000336792932 355165608 /nfs/dbraw/zinc/16/56/08/355165608.db2.gz UTXASMLEJNAHMM-UONOGXRCSA-N 2 2 256.390 0.942 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C[C@H]1CCCCO1 ZINC000336792932 355165609 /nfs/dbraw/zinc/16/56/09/355165609.db2.gz UTXASMLEJNAHMM-UONOGXRCSA-N 2 2 256.390 0.942 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C[C@H]1CCCCO1 ZINC000336792932 355165612 /nfs/dbraw/zinc/16/56/12/355165612.db2.gz UTXASMLEJNAHMM-UONOGXRCSA-N 2 2 256.390 0.942 20 0 CCADLP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000336797166 355169683 /nfs/dbraw/zinc/16/96/83/355169683.db2.gz ZDYOJWQBZPSSPM-XQQFMLRXSA-N 2 2 253.390 0.975 20 0 CCADLP CCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000336797166 355169687 /nfs/dbraw/zinc/16/96/87/355169687.db2.gz ZDYOJWQBZPSSPM-XQQFMLRXSA-N 2 2 253.390 0.975 20 0 CCADLP O=C(NCc1[nH]cc[nH+]1)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000424138568 235158821 /nfs/dbraw/zinc/15/88/21/235158821.db2.gz DGDXZKFZQTWDSC-SECBINFHSA-N 2 2 274.328 0.530 20 0 CCADLP C[C@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1)[NH+]1CCOCC1 ZINC000423987581 235133347 /nfs/dbraw/zinc/13/33/47/235133347.db2.gz WIGMVHJBEHNTPR-YRGRVCCFSA-N 2 2 269.389 0.150 20 0 CCADLP CC(C)[C@@](C)(O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000336795382 355168379 /nfs/dbraw/zinc/16/83/79/355168379.db2.gz KCKHEXPYYLHVHU-ZDUSSCGKSA-N 2 2 254.378 0.983 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000336702243 355140575 /nfs/dbraw/zinc/14/05/75/355140575.db2.gz GNXLECKWMCCGTL-GFCCVEGCSA-N 2 2 250.346 0.579 20 0 CCADLP Cc1cc(NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)cc[nH+]1 ZINC000424141440 235160936 /nfs/dbraw/zinc/16/09/36/235160936.db2.gz UDXANSZQBYBRRG-GFCCVEGCSA-N 2 2 286.339 0.580 20 0 CCADLP OCCCCC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000336726615 355151694 /nfs/dbraw/zinc/15/16/94/355151694.db2.gz LINISCOGQUKGIA-UHFFFAOYSA-N 2 2 252.362 0.690 20 0 CCADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC000336726660 355152406 /nfs/dbraw/zinc/15/24/06/355152406.db2.gz LNNJSRYLPWZDKG-CHWSQXEVSA-N 2 2 251.374 0.539 20 0 CCADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC000336726660 355152408 /nfs/dbraw/zinc/15/24/08/355152408.db2.gz LNNJSRYLPWZDKG-CHWSQXEVSA-N 2 2 251.374 0.539 20 0 CCADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000336726660 355152410 /nfs/dbraw/zinc/15/24/10/355152410.db2.gz LNNJSRYLPWZDKG-CHWSQXEVSA-N 2 2 251.374 0.539 20 0 CCADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC000336726660 355152411 /nfs/dbraw/zinc/15/24/11/355152411.db2.gz LNNJSRYLPWZDKG-CHWSQXEVSA-N 2 2 251.374 0.539 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CC2(O)CCCC2)CC1 ZINC000336802801 355178137 /nfs/dbraw/zinc/17/81/37/355178137.db2.gz VYCDEXCNABKHJK-UHFFFAOYSA-N 2 2 264.373 0.847 20 0 CCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000424186762 235172629 /nfs/dbraw/zinc/17/26/29/235172629.db2.gz HKBDAJWOGCXMTB-JBLDHEPKSA-N 2 2 273.327 0.347 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CCS(=O)(=O)N(C)C)C1 ZINC000336811936 355185949 /nfs/dbraw/zinc/18/59/49/355185949.db2.gz PHLAASGBZZYLBZ-ZDUSSCGKSA-N 2 2 291.461 0.542 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCS(=O)(=O)N(C)C)C1 ZINC000336811936 355185951 /nfs/dbraw/zinc/18/59/51/355185951.db2.gz PHLAASGBZZYLBZ-ZDUSSCGKSA-N 2 2 291.461 0.542 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CCS(=O)(=O)N(C)C)C1 ZINC000336811936 355185952 /nfs/dbraw/zinc/18/59/52/355185952.db2.gz PHLAASGBZZYLBZ-ZDUSSCGKSA-N 2 2 291.461 0.542 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCS(=O)(=O)N(C)C)C1 ZINC000336811936 355185954 /nfs/dbraw/zinc/18/59/54/355185954.db2.gz PHLAASGBZZYLBZ-ZDUSSCGKSA-N 2 2 291.461 0.542 20 0 CCADLP C[N@@H+]1CC[C@@]2(CC[NH+](CCN3CCCS3(=O)=O)C2)C1 ZINC000336818513 355192002 /nfs/dbraw/zinc/19/20/02/355192002.db2.gz VVKMXWAUDIWHEF-CYBMUJFWSA-N 2 2 287.429 0.050 20 0 CCADLP C[N@H+]1CC[C@@]2(CC[NH+](CCN3CCCS3(=O)=O)C2)C1 ZINC000336818513 355192003 /nfs/dbraw/zinc/19/20/03/355192003.db2.gz VVKMXWAUDIWHEF-CYBMUJFWSA-N 2 2 287.429 0.050 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@H+](CCN3CCCS3(=O)=O)C2)C1 ZINC000336818513 355192006 /nfs/dbraw/zinc/19/20/06/355192006.db2.gz VVKMXWAUDIWHEF-CYBMUJFWSA-N 2 2 287.429 0.050 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@@H+](CCN3CCCS3(=O)=O)C2)C1 ZINC000336818513 355192008 /nfs/dbraw/zinc/19/20/08/355192008.db2.gz VVKMXWAUDIWHEF-CYBMUJFWSA-N 2 2 287.429 0.050 20 0 CCADLP Cn1cc(CN2CC[NH+](CCn3cc[nH+]c3)CC2)cn1 ZINC000336823003 355197699 /nfs/dbraw/zinc/19/76/99/355197699.db2.gz NURNRRCXEGTELU-UHFFFAOYSA-N 2 2 274.372 0.434 20 0 CCADLP COC(=O)[C@@]1([NH2+]CCCn2cc[nH+]c2)CCOC1 ZINC000271792204 191330332 /nfs/dbraw/zinc/33/03/32/191330332.db2.gz AKMDKQNYNYCYSN-GFCCVEGCSA-N 2 2 253.302 0.195 20 0 CCADLP C[C@@H](CO)[N@@H+]1CCCN(CC[NH+]2CCOC[C@@H]2C)CC1 ZINC000337181045 355279775 /nfs/dbraw/zinc/27/97/75/355279775.db2.gz ASISGDGCTQYJJX-GJZGRUSLSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H](CO)[N@H+]1CCCN(CC[NH+]2CCOC[C@@H]2C)CC1 ZINC000337181045 355279777 /nfs/dbraw/zinc/27/97/77/355279777.db2.gz ASISGDGCTQYJJX-GJZGRUSLSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H](CO)[NH+]1CCCN(CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000337181045 355279780 /nfs/dbraw/zinc/27/97/80/355279780.db2.gz ASISGDGCTQYJJX-GJZGRUSLSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H](CO)[NH+]1CCCN(CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000337181045 355279783 /nfs/dbraw/zinc/27/97/83/355279783.db2.gz ASISGDGCTQYJJX-GJZGRUSLSA-N 2 2 285.432 0.096 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000338474860 355355973 /nfs/dbraw/zinc/35/59/73/355355973.db2.gz LROHMIZFKVRFSL-GFCCVEGCSA-N 2 2 267.377 0.911 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000338474860 355355976 /nfs/dbraw/zinc/35/59/76/355355976.db2.gz LROHMIZFKVRFSL-GFCCVEGCSA-N 2 2 267.377 0.911 20 0 CCADLP COCCCOCC[N@H+](C)Cc1c[nH+]c(N(C)C)n1C ZINC000425342668 235288362 /nfs/dbraw/zinc/28/83/62/235288362.db2.gz HMEQEHUJLFHEAX-UHFFFAOYSA-N 2 2 284.404 0.971 20 0 CCADLP COCCCOCC[N@@H+](C)Cc1c[nH+]c(N(C)C)n1C ZINC000425342668 235288364 /nfs/dbraw/zinc/28/83/64/235288364.db2.gz HMEQEHUJLFHEAX-UHFFFAOYSA-N 2 2 284.404 0.971 20 0 CCADLP C[C@H]1C[C@H](NC(=O)NCc2[nH+]ccn2C)CC[N@@H+]1C ZINC000341157563 355618540 /nfs/dbraw/zinc/61/85/40/355618540.db2.gz HLSINSDPZIMSLA-WDEREUQCSA-N 2 2 265.361 0.702 20 0 CCADLP C[C@H]1C[C@H](NC(=O)NCc2[nH+]ccn2C)CC[N@H+]1C ZINC000341157563 355618543 /nfs/dbraw/zinc/61/85/43/355618543.db2.gz HLSINSDPZIMSLA-WDEREUQCSA-N 2 2 265.361 0.702 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000341724313 355722705 /nfs/dbraw/zinc/72/27/05/355722705.db2.gz VVSCTKAYYFVCRP-DGCLKSJQSA-N 2 2 276.384 0.962 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000341724313 355722706 /nfs/dbraw/zinc/72/27/06/355722706.db2.gz VVSCTKAYYFVCRP-DGCLKSJQSA-N 2 2 276.384 0.962 20 0 CCADLP Cc1c[nH+]c(CN2CCO[C@H](C[NH+](C)C)C2)n1C ZINC000342772015 355742474 /nfs/dbraw/zinc/74/24/74/355742474.db2.gz AWLBCQIBGQUDDL-GFCCVEGCSA-N 2 2 252.362 0.491 20 0 CCADLP CN(C)C(=O)c1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)[nH]1 ZINC000427136817 235353502 /nfs/dbraw/zinc/35/35/02/235353502.db2.gz MHVJRCJWENMNIO-AAEUAGOBSA-N 2 2 276.384 0.900 20 0 CCADLP CN(C)C(=O)c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)[nH]1 ZINC000427136817 235353503 /nfs/dbraw/zinc/35/35/03/235353503.db2.gz MHVJRCJWENMNIO-AAEUAGOBSA-N 2 2 276.384 0.900 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000427497784 235367855 /nfs/dbraw/zinc/36/78/55/235367855.db2.gz SFTJRVIQJOACEE-TZMCWYRMSA-N 2 2 281.400 0.138 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000427497784 235367858 /nfs/dbraw/zinc/36/78/58/235367858.db2.gz SFTJRVIQJOACEE-TZMCWYRMSA-N 2 2 281.400 0.138 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC[C@H]2C[NH+](C3CC3)CCO2)C1 ZINC000344066913 355784615 /nfs/dbraw/zinc/78/46/15/355784615.db2.gz IDEDDJVPVVUTHG-ZFWWWQNUSA-N 2 2 283.416 0.160 20 0 CCADLP COCC[N@H+]1CC[C@H](NC[C@H]2C[NH+](C3CC3)CCO2)C1 ZINC000344066913 355784618 /nfs/dbraw/zinc/78/46/18/355784618.db2.gz IDEDDJVPVVUTHG-ZFWWWQNUSA-N 2 2 283.416 0.160 20 0 CCADLP COCC[NH+]1CC[C@H](NC[C@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000344066913 355784623 /nfs/dbraw/zinc/78/46/23/355784623.db2.gz IDEDDJVPVVUTHG-ZFWWWQNUSA-N 2 2 283.416 0.160 20 0 CCADLP COCC[NH+]1CC[C@H](NC[C@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000344066913 355784627 /nfs/dbraw/zinc/78/46/27/355784627.db2.gz IDEDDJVPVVUTHG-ZFWWWQNUSA-N 2 2 283.416 0.160 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc(C(N)=O)co1 ZINC000427856731 235384214 /nfs/dbraw/zinc/38/42/14/235384214.db2.gz XFBZIMVWSAXPIR-SKDRFNHKSA-N 2 2 251.330 0.808 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cc(C(N)=O)co1 ZINC000427856731 235384215 /nfs/dbraw/zinc/38/42/15/235384215.db2.gz XFBZIMVWSAXPIR-SKDRFNHKSA-N 2 2 251.330 0.808 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cnn(CCOC)c2)C1 ZINC000347084605 355876244 /nfs/dbraw/zinc/87/62/44/355876244.db2.gz CFRFDFRZXKRTSZ-LBPRGKRZSA-N 2 2 252.362 0.571 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cnn(CCOC)c2)C1 ZINC000347084605 355876246 /nfs/dbraw/zinc/87/62/46/355876246.db2.gz CFRFDFRZXKRTSZ-LBPRGKRZSA-N 2 2 252.362 0.571 20 0 CCADLP COCC[NH+]1CCC([NH2+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000427891005 235385493 /nfs/dbraw/zinc/38/54/93/235385493.db2.gz CLDJHRMYSXQKQQ-AWEZNQCLSA-N 3 2 278.400 0.898 20 0 CCADLP COCC[NH+]1CCC([NH2+][C@H]2CCn3ccnc3C2)CC1 ZINC000427891005 235385496 /nfs/dbraw/zinc/38/54/96/235385496.db2.gz CLDJHRMYSXQKQQ-AWEZNQCLSA-N 2 2 278.400 0.898 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C1(C(N)=O)CCCC1 ZINC000351712830 356003995 /nfs/dbraw/zinc/00/39/95/356003995.db2.gz RPRFYNHBVGBCIL-GFCCVEGCSA-N 2 2 269.389 0.171 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C1(C(N)=O)CCCC1 ZINC000351712830 356003998 /nfs/dbraw/zinc/00/39/98/356003998.db2.gz RPRFYNHBVGBCIL-GFCCVEGCSA-N 2 2 269.389 0.171 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+](C)C1(C(N)=O)CCCC1)C1CC1 ZINC000351712830 356004001 /nfs/dbraw/zinc/00/40/01/356004001.db2.gz RPRFYNHBVGBCIL-GFCCVEGCSA-N 2 2 269.389 0.171 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+](C)C1(C(N)=O)CCCC1)C1CC1 ZINC000351712830 356004004 /nfs/dbraw/zinc/00/40/04/356004004.db2.gz RPRFYNHBVGBCIL-GFCCVEGCSA-N 2 2 269.389 0.171 20 0 CCADLP C[C@H]1OCC[C@]1(O)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352703317 356058890 /nfs/dbraw/zinc/05/88/90/356058890.db2.gz BSVDTAWVEDQOJU-MFKMUULPSA-N 2 2 285.413 0.834 20 0 CCADLP C[NH+](CC(O)C[N@@H+](C)[C@@H]1CCCOC1)[C@@H]1CCCOC1 ZINC000352187212 356009983 /nfs/dbraw/zinc/00/99/83/356009983.db2.gz QENVCLOLQGQQIW-ZIAGYGMSSA-N 2 2 286.416 0.569 20 0 CCADLP C[NH+](CC(O)C[N@H+](C)[C@@H]1CCCOC1)[C@@H]1CCCOC1 ZINC000352187212 356009986 /nfs/dbraw/zinc/00/99/86/356009986.db2.gz QENVCLOLQGQQIW-ZIAGYGMSSA-N 2 2 286.416 0.569 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000352971115 356123241 /nfs/dbraw/zinc/12/32/41/356123241.db2.gz XEKDMPALSOWOGD-LBPRGKRZSA-N 2 2 280.372 0.569 20 0 CCADLP COCC[N@H+]1CCC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000352971115 356123244 /nfs/dbraw/zinc/12/32/44/356123244.db2.gz XEKDMPALSOWOGD-LBPRGKRZSA-N 2 2 280.372 0.569 20 0 CCADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2COCCO2)s1 ZINC000352779291 356077787 /nfs/dbraw/zinc/07/77/87/356077787.db2.gz KUOAJQAPIPWEBO-JTQLQIEISA-N 2 2 271.386 0.710 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CC[NH+]1CCOCC1 ZINC000352815024 356088101 /nfs/dbraw/zinc/08/81/01/356088101.db2.gz KRGMODBCOMWBKK-HUUCEWRRSA-N 2 2 267.417 0.877 20 0 CCADLP C[C@H](C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)[NH+]1CCOCC1 ZINC000353047639 356146600 /nfs/dbraw/zinc/14/66/00/356146600.db2.gz NRSKROWCVGIMLG-UKRRQHHQSA-N 2 2 295.427 0.698 20 0 CCADLP CC1CC[NH+](C[C@H](O)CNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000353407291 356215876 /nfs/dbraw/zinc/21/58/76/356215876.db2.gz FDHORARBLFOVOV-CYBMUJFWSA-N 2 2 294.399 0.551 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000353427003 356219349 /nfs/dbraw/zinc/21/93/49/356219349.db2.gz NWRRAJOSANIAAE-ZDUSSCGKSA-N 2 2 292.383 0.449 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000353465057 356229794 /nfs/dbraw/zinc/22/97/94/356229794.db2.gz ZFQRIKHXEWHAHH-AGIUHOORSA-N 2 2 269.389 0.211 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000353598072 356257263 /nfs/dbraw/zinc/25/72/63/356257263.db2.gz NGVKHAALPUBXPM-HNNXBMFYSA-N 3 2 296.459 0.645 20 0 CCADLP CSCC[C@@H]([NH3+])C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000353666822 356268984 /nfs/dbraw/zinc/26/89/84/356268984.db2.gz CGSRCIRWLQYGRI-LLVKDONJSA-N 2 2 297.428 0.134 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000361083133 138021295 /nfs/dbraw/zinc/02/12/95/138021295.db2.gz GDKMHDZCEFYQJU-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000361083133 138021296 /nfs/dbraw/zinc/02/12/96/138021296.db2.gz GDKMHDZCEFYQJU-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCOC[C@H]1C[C@H](C)O ZINC000362270745 138052968 /nfs/dbraw/zinc/05/29/68/138052968.db2.gz QBQLXVRINNPXSH-WCQYABFASA-N 2 2 253.346 0.663 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCOC[C@H]1C[C@H](C)O ZINC000362270745 138052969 /nfs/dbraw/zinc/05/29/69/138052969.db2.gz QBQLXVRINNPXSH-WCQYABFASA-N 2 2 253.346 0.663 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000246525249 291092029 /nfs/dbraw/zinc/09/20/29/291092029.db2.gz ABNOEDGPPFFUFH-XQQFMLRXSA-N 2 2 297.399 0.080 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000246525249 291092030 /nfs/dbraw/zinc/09/20/30/291092030.db2.gz ABNOEDGPPFFUFH-XQQFMLRXSA-N 2 2 297.399 0.080 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000246525249 291092032 /nfs/dbraw/zinc/09/20/32/291092032.db2.gz ABNOEDGPPFFUFH-XQQFMLRXSA-N 2 2 297.399 0.080 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000246525249 291092033 /nfs/dbraw/zinc/09/20/33/291092033.db2.gz ABNOEDGPPFFUFH-XQQFMLRXSA-N 2 2 297.399 0.080 20 0 CCADLP Cc1nc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)oc1C ZINC000362832356 138076208 /nfs/dbraw/zinc/07/62/08/138076208.db2.gz XXYWBJAYRSAWCY-CYBMUJFWSA-N 2 2 292.383 0.688 20 0 CCADLP Cc1nc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)oc1C ZINC000362832356 138076209 /nfs/dbraw/zinc/07/62/09/138076209.db2.gz XXYWBJAYRSAWCY-CYBMUJFWSA-N 2 2 292.383 0.688 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000362679376 138069328 /nfs/dbraw/zinc/06/93/28/138069328.db2.gz FBGZBEUPYWLAPY-AWEZNQCLSA-N 2 2 274.368 0.478 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000362679376 138069329 /nfs/dbraw/zinc/06/93/29/138069329.db2.gz FBGZBEUPYWLAPY-AWEZNQCLSA-N 2 2 274.368 0.478 20 0 CCADLP Cc1c(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cnn1C ZINC000362684772 138070035 /nfs/dbraw/zinc/07/00/35/138070035.db2.gz QIOGBNOKXSACBJ-AWEZNQCLSA-N 2 2 291.399 0.125 20 0 CCADLP Cc1c(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cnn1C ZINC000362684772 138070036 /nfs/dbraw/zinc/07/00/36/138070036.db2.gz QIOGBNOKXSACBJ-AWEZNQCLSA-N 2 2 291.399 0.125 20 0 CCADLP Cc1noc(C)c1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362698133 138070203 /nfs/dbraw/zinc/07/02/03/138070203.db2.gz NOUZMFCXFIIREO-CYBMUJFWSA-N 2 2 292.383 0.688 20 0 CCADLP Cc1noc(C)c1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362698133 138070204 /nfs/dbraw/zinc/07/02/04/138070204.db2.gz NOUZMFCXFIIREO-CYBMUJFWSA-N 2 2 292.383 0.688 20 0 CCADLP C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000362723571 138071371 /nfs/dbraw/zinc/07/13/71/138071371.db2.gz KSHHJMBELCWXOC-MQYQWHSLSA-N 2 2 283.416 0.410 20 0 CCADLP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000362723571 138071372 /nfs/dbraw/zinc/07/13/72/138071372.db2.gz KSHHJMBELCWXOC-MQYQWHSLSA-N 2 2 283.416 0.410 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000355473222 356626234 /nfs/dbraw/zinc/62/62/34/356626234.db2.gz GBHCMXIWGZHWHG-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP O[C@@H]1CCC[C@H]1[C@@H]1COCC[N@@H+]1CCn1cc[nH+]c1 ZINC000328984302 202140606 /nfs/dbraw/zinc/14/06/06/202140606.db2.gz STOKYEXISNZFGG-MELADBBJSA-N 2 2 265.357 0.745 20 0 CCADLP O[C@@H]1CCC[C@H]1[C@@H]1COCC[N@H+]1CCn1cc[nH+]c1 ZINC000328984302 202140608 /nfs/dbraw/zinc/14/06/08/202140608.db2.gz STOKYEXISNZFGG-MELADBBJSA-N 2 2 265.357 0.745 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC1CC[NH+](C)CC1 ZINC000356114494 356705426 /nfs/dbraw/zinc/70/54/26/356705426.db2.gz HOMBZALWRPWLCT-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC1CC[NH+](C)CC1 ZINC000356114494 356705428 /nfs/dbraw/zinc/70/54/28/356705428.db2.gz HOMBZALWRPWLCT-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000619898052 366377949 /nfs/dbraw/zinc/37/79/49/366377949.db2.gz POUOULDJKFCFHK-LLVKDONJSA-N 2 2 250.346 0.563 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000619898052 366377955 /nfs/dbraw/zinc/37/79/55/366377955.db2.gz POUOULDJKFCFHK-LLVKDONJSA-N 2 2 250.346 0.563 20 0 CCADLP C[N@H+]([C@@H](C(N)=O)c1ccccc1)C1CC[NH+](CCO)CC1 ZINC000357647496 356771852 /nfs/dbraw/zinc/77/18/52/356771852.db2.gz JVQZLUCLQXEMRT-OAHLLOKOSA-N 2 2 291.395 0.602 20 0 CCADLP C[N@@H+]([C@@H](C(N)=O)c1ccccc1)C1CC[NH+](CCO)CC1 ZINC000357647496 356771858 /nfs/dbraw/zinc/77/18/58/356771858.db2.gz JVQZLUCLQXEMRT-OAHLLOKOSA-N 2 2 291.395 0.602 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000359268178 356789280 /nfs/dbraw/zinc/78/92/80/356789280.db2.gz UNOLGYNFVWQXEP-HZMBPMFUSA-N 2 2 292.383 0.949 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000359268178 356789284 /nfs/dbraw/zinc/78/92/84/356789284.db2.gz UNOLGYNFVWQXEP-HZMBPMFUSA-N 2 2 292.383 0.949 20 0 CCADLP O=S(=O)(NCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000359284860 356794011 /nfs/dbraw/zinc/79/40/11/356794011.db2.gz VGGDBPVIEHLOAE-CHWSQXEVSA-N 2 2 295.408 0.116 20 0 CCADLP Cc1ccsc1CNC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359288162 356794223 /nfs/dbraw/zinc/79/42/23/356794223.db2.gz OUMJOPSSZLXPSM-TXEJJXNPSA-N 2 2 279.409 0.824 20 0 CCADLP Cc1ccsc1CNC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359288162 356794227 /nfs/dbraw/zinc/79/42/27/356794227.db2.gz OUMJOPSSZLXPSM-TXEJJXNPSA-N 2 2 279.409 0.824 20 0 CCADLP C[C@H](C(=O)NCc1ccc(F)cc1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359298117 356797330 /nfs/dbraw/zinc/79/73/30/356797330.db2.gz ZCOOTSRHIODSHZ-XBFCOCLRSA-N 2 2 291.370 0.982 20 0 CCADLP COCCn1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000359477120 356828517 /nfs/dbraw/zinc/82/85/17/356828517.db2.gz VMTPDCYQRGXCLN-CHWSQXEVSA-N 2 2 250.346 0.181 20 0 CCADLP CC[C@@](C)(OC)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000359665753 356867115 /nfs/dbraw/zinc/86/71/15/356867115.db2.gz UXOANMJUEWMFLC-OAHLLOKOSA-N 2 2 285.432 0.944 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](CO)c2cccc(F)c2)CC1 ZINC000359545480 356842112 /nfs/dbraw/zinc/84/21/12/356842112.db2.gz YJFAZGWMDFEYJO-AWEZNQCLSA-N 2 2 295.358 0.223 20 0 CCADLP OC[C@H]([NH2+]CC[NH+]1CCCCC1)C1CCOCC1 ZINC000359891785 356916433 /nfs/dbraw/zinc/91/64/33/356916433.db2.gz DKUNKBFJECWYLX-AWEZNQCLSA-N 2 2 256.390 0.849 20 0 CCADLP C[N@@H+]1CCCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000359906891 356917934 /nfs/dbraw/zinc/91/79/34/356917934.db2.gz HJJQWLMCVXEDDB-UHFFFAOYSA-N 2 2 281.400 0.405 20 0 CCADLP C[N@H+]1CCCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000359906891 356917939 /nfs/dbraw/zinc/91/79/39/356917939.db2.gz HJJQWLMCVXEDDB-UHFFFAOYSA-N 2 2 281.400 0.405 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+][C@H](C)CN2CCOCC2)[C@@H](C)C1 ZINC000359933678 356921568 /nfs/dbraw/zinc/92/15/68/356921568.db2.gz KHCNWMYTZUOSIQ-MJBXVCDLSA-N 2 2 255.406 0.637 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+][C@H](C)CN2CCOCC2)[C@@H](C)C1 ZINC000359933678 356921572 /nfs/dbraw/zinc/92/15/72/356921572.db2.gz KHCNWMYTZUOSIQ-MJBXVCDLSA-N 2 2 255.406 0.637 20 0 CCADLP O[C@@H]1CCC[C@H]1[NH+]1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000360277639 356982723 /nfs/dbraw/zinc/98/27/23/356982723.db2.gz BFTKVGTVQCSLGS-CHWSQXEVSA-N 2 2 287.367 0.993 20 0 CCADLP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C[NH+]1CCCC1 ZINC000655698388 412647045 /nfs/dbraw/zinc/64/70/45/412647045.db2.gz AXQSYSUMIFABON-HZPDHXFCSA-N 3 2 297.443 0.286 20 0 CCADLP CCOC(=O)[C@](C)(O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000364283387 357104683 /nfs/dbraw/zinc/10/46/83/357104683.db2.gz RRUBGGRUAAOTPU-CQSZACIVSA-N 2 2 281.356 0.903 20 0 CCADLP CC1(C)C[C@H]([NH2+]C[C@@H](O)CO)C[N@@H+]1Cc1ccccc1 ZINC000364140335 357088888 /nfs/dbraw/zinc/08/88/88/357088888.db2.gz FSHRYRGLPYQAKL-LSDHHAIUSA-N 2 2 278.396 0.982 20 0 CCADLP CC1(C)C[C@H]([NH2+]C[C@@H](O)CO)C[N@H+]1Cc1ccccc1 ZINC000364140335 357088894 /nfs/dbraw/zinc/08/88/94/357088894.db2.gz FSHRYRGLPYQAKL-LSDHHAIUSA-N 2 2 278.396 0.982 20 0 CCADLP CC1(C)C[C@H]([NH2+]C[C@H](O)CO)C[N@@H+]1Cc1ccccc1 ZINC000364140333 357089336 /nfs/dbraw/zinc/08/93/36/357089336.db2.gz FSHRYRGLPYQAKL-GJZGRUSLSA-N 2 2 278.396 0.982 20 0 CCADLP CC1(C)C[C@H]([NH2+]C[C@H](O)CO)C[N@H+]1Cc1ccccc1 ZINC000364140333 357089339 /nfs/dbraw/zinc/08/93/39/357089339.db2.gz FSHRYRGLPYQAKL-GJZGRUSLSA-N 2 2 278.396 0.982 20 0 CCADLP C[C@H](NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)[C@H](C)[NH+]1CCOCC1 ZINC000364200154 357094754 /nfs/dbraw/zinc/09/47/54/357094754.db2.gz GQLOGNJJJXBZQD-PWNZVWSESA-N 2 2 281.400 0.211 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@H+](CCC(=O)N3CC[NH+](C)CC3)C2)C1 ZINC000366497901 357219671 /nfs/dbraw/zinc/21/96/71/357219671.db2.gz PMAHIUZQQYOZJB-INIZCTEOSA-N 3 2 294.443 0.178 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@@H+](CCC(=O)N3CC[NH+](C)CC3)C2)C1 ZINC000366497901 357219674 /nfs/dbraw/zinc/21/96/74/357219674.db2.gz PMAHIUZQQYOZJB-INIZCTEOSA-N 3 2 294.443 0.178 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@](C)(O)C3CC3)C2)CC1 ZINC000367639555 357274893 /nfs/dbraw/zinc/27/48/93/357274893.db2.gz WOHXGXSTVFSXML-CZUORRHYSA-N 2 2 295.427 0.432 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@](C)(O)C3CC3)C2)CC1 ZINC000367639555 357274896 /nfs/dbraw/zinc/27/48/96/357274896.db2.gz WOHXGXSTVFSXML-CZUORRHYSA-N 2 2 295.427 0.432 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000369382992 357345307 /nfs/dbraw/zinc/34/53/07/357345307.db2.gz GZOBOQYVCULPIM-JTQLQIEISA-N 2 2 268.361 0.130 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000369382992 357345308 /nfs/dbraw/zinc/34/53/08/357345308.db2.gz GZOBOQYVCULPIM-JTQLQIEISA-N 2 2 268.361 0.130 20 0 CCADLP CSCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370843298 357357297 /nfs/dbraw/zinc/35/72/97/357357297.db2.gz RKGRFVXRCQLGKH-CYBMUJFWSA-N 2 2 285.457 0.976 20 0 CCADLP CSCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370843298 357357300 /nfs/dbraw/zinc/35/73/00/357357300.db2.gz RKGRFVXRCQLGKH-CYBMUJFWSA-N 2 2 285.457 0.976 20 0 CCADLP CN1CCC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1=O ZINC000655719347 412653044 /nfs/dbraw/zinc/65/30/44/412653044.db2.gz RQAKQZMHQFNFMD-KGLIPLIRSA-N 2 2 281.400 0.450 20 0 CCADLP C[N@@H+]1CCCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000372761397 357380086 /nfs/dbraw/zinc/38/00/86/357380086.db2.gz ZAQYVJVAHMNJCK-OAHLLOKOSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@H+]1CCCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)CC1 ZINC000372761397 357380091 /nfs/dbraw/zinc/38/00/91/357380091.db2.gz ZAQYVJVAHMNJCK-OAHLLOKOSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+]1CCCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000372761397 357380095 /nfs/dbraw/zinc/38/00/95/357380095.db2.gz ZAQYVJVAHMNJCK-OAHLLOKOSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+]1CCCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000372761397 357380098 /nfs/dbraw/zinc/38/00/98/357380098.db2.gz ZAQYVJVAHMNJCK-OAHLLOKOSA-N 2 2 295.427 0.794 20 0 CCADLP [NH3+]CCCCNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC000376636346 357486824 /nfs/dbraw/zinc/48/68/24/357486824.db2.gz HAXBFQDCIGCKOC-UHFFFAOYSA-N 2 2 267.398 0.961 20 0 CCADLP [NH3+]CCCCNC(=O)C[N@H+]1CCc2sccc2C1 ZINC000376636346 357486825 /nfs/dbraw/zinc/48/68/25/357486825.db2.gz HAXBFQDCIGCKOC-UHFFFAOYSA-N 2 2 267.398 0.961 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCC[NH2+]3)C2)CC1 ZINC000377197792 357551173 /nfs/dbraw/zinc/55/11/73/357551173.db2.gz NEBZXVDCNOIJHZ-ZFWWWQNUSA-N 3 2 294.443 0.413 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CCCC[NH2+]3)C2)CC1 ZINC000377197792 357551175 /nfs/dbraw/zinc/55/11/75/357551175.db2.gz NEBZXVDCNOIJHZ-ZFWWWQNUSA-N 3 2 294.443 0.413 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000449330974 236029301 /nfs/dbraw/zinc/02/93/01/236029301.db2.gz WKZIFLJEBCQOSE-MGPQQGTHSA-N 2 2 281.400 0.165 20 0 CCADLP C[N@@H+]1CC[C@H]2CCN(C(=O)NCC[NH+]3CCOCC3)[C@@H]2C1 ZINC000378498796 357686561 /nfs/dbraw/zinc/68/65/61/357686561.db2.gz TXNOWBMQPNJUGF-UONOGXRCSA-N 2 2 296.415 0.054 20 0 CCADLP C[N@H+]1CC[C@H]2CCN(C(=O)NCC[NH+]3CCOCC3)[C@@H]2C1 ZINC000378498796 357686565 /nfs/dbraw/zinc/68/65/65/357686565.db2.gz TXNOWBMQPNJUGF-UONOGXRCSA-N 2 2 296.415 0.054 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449648776 236043188 /nfs/dbraw/zinc/04/31/88/236043188.db2.gz UOERHHHCKMMBHY-OLZOCXBDSA-N 2 2 297.349 0.917 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H](CO)Cc1ccccc1)C1CC1 ZINC000380905008 357706265 /nfs/dbraw/zinc/70/62/65/357706265.db2.gz HLWJFFHRHQNDHY-ZBFHGGJFSA-N 2 2 278.396 0.635 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](CO)Cc1ccccc1)C1CC1 ZINC000380905008 357706269 /nfs/dbraw/zinc/70/62/69/357706269.db2.gz HLWJFFHRHQNDHY-ZBFHGGJFSA-N 2 2 278.396 0.635 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](OC)C1 ZINC000381155684 357707626 /nfs/dbraw/zinc/70/76/26/357707626.db2.gz NPTGTRNCIDEBIS-STQMWFEESA-N 2 2 260.378 0.036 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](OC)C1 ZINC000381155684 357707629 /nfs/dbraw/zinc/70/76/29/357707629.db2.gz NPTGTRNCIDEBIS-STQMWFEESA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](OC)C1 ZINC000381155684 357707635 /nfs/dbraw/zinc/70/76/35/357707635.db2.gz NPTGTRNCIDEBIS-STQMWFEESA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](OC)C1 ZINC000381155684 357707639 /nfs/dbraw/zinc/70/76/39/357707639.db2.gz NPTGTRNCIDEBIS-STQMWFEESA-N 2 2 260.378 0.036 20 0 CCADLP CO[C@@H]1COC[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655779511 412660157 /nfs/dbraw/zinc/66/01/57/412660157.db2.gz MWYUWHZJYKQJSL-RRFJBIMHSA-N 2 2 284.400 0.633 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000394126921 357754916 /nfs/dbraw/zinc/75/49/16/357754916.db2.gz IGWXDJXDCRCFBP-GRYCIOLGSA-N 2 2 258.362 0.040 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000394126921 357754920 /nfs/dbraw/zinc/75/49/20/357754920.db2.gz IGWXDJXDCRCFBP-GRYCIOLGSA-N 2 2 258.362 0.040 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000394126921 357754924 /nfs/dbraw/zinc/75/49/24/357754924.db2.gz IGWXDJXDCRCFBP-GRYCIOLGSA-N 2 2 258.362 0.040 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000394126921 357754929 /nfs/dbraw/zinc/75/49/29/357754929.db2.gz IGWXDJXDCRCFBP-GRYCIOLGSA-N 2 2 258.362 0.040 20 0 CCADLP O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394381765 357755237 /nfs/dbraw/zinc/75/52/37/357755237.db2.gz SVNVQRWIUBHCOS-LSDHHAIUSA-N 2 2 294.443 0.272 20 0 CCADLP O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000394381765 357755243 /nfs/dbraw/zinc/75/52/43/357755243.db2.gz SVNVQRWIUBHCOS-LSDHHAIUSA-N 2 2 294.443 0.272 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)C[S@@](C)=O ZINC000398843442 357779703 /nfs/dbraw/zinc/77/97/03/357779703.db2.gz KNOIBODECFXAGU-NVGCLXPQSA-N 2 2 264.435 0.386 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)C[S@@](C)=O ZINC000398843442 357779705 /nfs/dbraw/zinc/77/97/05/357779705.db2.gz KNOIBODECFXAGU-NVGCLXPQSA-N 2 2 264.435 0.386 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)C[S@@](C)=O ZINC000398843442 357779707 /nfs/dbraw/zinc/77/97/07/357779707.db2.gz KNOIBODECFXAGU-NVGCLXPQSA-N 2 2 264.435 0.386 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)C[S@@](C)=O ZINC000398843442 357779709 /nfs/dbraw/zinc/77/97/09/357779709.db2.gz KNOIBODECFXAGU-NVGCLXPQSA-N 2 2 264.435 0.386 20 0 CCADLP COc1cc[nH+]c(CN2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000451651276 236176995 /nfs/dbraw/zinc/17/69/95/236176995.db2.gz GVCGQFMYJCUJNC-BETUJISGSA-N 2 2 279.384 0.977 20 0 CCADLP COc1cc[nH+]c(CN2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c1 ZINC000451651276 236176997 /nfs/dbraw/zinc/17/69/97/236176997.db2.gz GVCGQFMYJCUJNC-BETUJISGSA-N 2 2 279.384 0.977 20 0 CCADLP CCOC1CC(CCNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000561203001 291120632 /nfs/dbraw/zinc/12/06/32/291120632.db2.gz LPGGHNIAKOQLEV-MOKVOYLWSA-N 2 2 298.431 0.476 20 0 CCADLP CCOC1CC(CCNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000561203001 291120634 /nfs/dbraw/zinc/12/06/34/291120634.db2.gz LPGGHNIAKOQLEV-MOKVOYLWSA-N 2 2 298.431 0.476 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N(CC[NH+](C)C)C1CC1 ZINC000561533001 291131550 /nfs/dbraw/zinc/13/15/50/291131550.db2.gz OUAPYCWJLHYCDV-UHFFFAOYSA-N 2 2 250.346 0.515 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c(nnn3C)C2)C[N@@H+]1C1CC1 ZINC000655829264 412666739 /nfs/dbraw/zinc/66/67/39/412666739.db2.gz LFTVZQAWTOVQND-WOPDTQHZSA-N 2 2 275.400 0.887 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c(nnn3C)C2)C[N@H+]1C1CC1 ZINC000655829264 412666742 /nfs/dbraw/zinc/66/67/42/412666742.db2.gz LFTVZQAWTOVQND-WOPDTQHZSA-N 2 2 275.400 0.887 20 0 CCADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420350004 358180445 /nfs/dbraw/zinc/18/04/45/358180445.db2.gz FMQKYZGLMQINOL-RGDJUOJXSA-N 2 2 285.432 0.567 20 0 CCADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420350004 358180446 /nfs/dbraw/zinc/18/04/46/358180446.db2.gz FMQKYZGLMQINOL-RGDJUOJXSA-N 2 2 285.432 0.567 20 0 CCADLP Cc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H](O)C[NH3+])c(C)c1 ZINC000420350722 358180483 /nfs/dbraw/zinc/18/04/83/358180483.db2.gz HYBATUFZAKSONQ-STQMWFEESA-N 2 2 279.384 0.882 20 0 CCADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])c(C)c1 ZINC000420350722 358180488 /nfs/dbraw/zinc/18/04/88/358180488.db2.gz HYBATUFZAKSONQ-STQMWFEESA-N 2 2 279.384 0.882 20 0 CCADLP C[NH2+]CCC[N@H+](C)CC(=O)NCc1ccc(COC)cc1 ZINC000420384673 358181294 /nfs/dbraw/zinc/18/12/94/358181294.db2.gz FCZRMVREPQZPTQ-UHFFFAOYSA-N 2 2 293.411 0.991 20 0 CCADLP C[NH2+]CCC[N@@H+](C)CC(=O)NCc1ccc(COC)cc1 ZINC000420384673 358181296 /nfs/dbraw/zinc/18/12/96/358181296.db2.gz FCZRMVREPQZPTQ-UHFFFAOYSA-N 2 2 293.411 0.991 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000422820975 358193141 /nfs/dbraw/zinc/19/31/41/358193141.db2.gz TWRJFEBRBPXKOT-DZGCQCFKSA-N 3 2 268.449 0.600 20 0 CCADLP CO[C@@H]1CC[C@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000423071486 358196359 /nfs/dbraw/zinc/19/63/59/358196359.db2.gz OKPXAARVWUZFMO-REWJHTLYSA-N 2 2 254.374 0.911 20 0 CCADLP COc1ncccc1CC[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000423143534 358197202 /nfs/dbraw/zinc/19/72/02/358197202.db2.gz XCLQPYHBAXXAAP-JSGCOSHPSA-N 2 2 279.384 0.989 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000423549253 358202230 /nfs/dbraw/zinc/20/22/30/358202230.db2.gz NEWDMHPRFDQTNU-VHDGCEQUSA-N 2 2 295.427 0.744 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000423549253 358202231 /nfs/dbraw/zinc/20/22/31/358202231.db2.gz NEWDMHPRFDQTNU-VHDGCEQUSA-N 2 2 295.427 0.744 20 0 CCADLP C[C@@H](C(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1)[C@H](C)[NH3+] ZINC000423862715 358206992 /nfs/dbraw/zinc/20/69/92/358206992.db2.gz GNUIERFBNZNEFU-MBNYWOFBSA-N 2 2 283.416 0.539 20 0 CCADLP C[C@@H](C(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1)[C@H](C)[NH3+] ZINC000423862715 358206997 /nfs/dbraw/zinc/20/69/97/358206997.db2.gz GNUIERFBNZNEFU-MBNYWOFBSA-N 2 2 283.416 0.539 20 0 CCADLP C[N@@H+]1CC[C@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC000329233767 202246042 /nfs/dbraw/zinc/24/60/42/202246042.db2.gz MFVQUICLSSFSDC-AWEZNQCLSA-N 2 2 262.357 0.897 20 0 CCADLP C[N@H+]1CC[C@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC000329233767 202246045 /nfs/dbraw/zinc/24/60/45/202246045.db2.gz MFVQUICLSSFSDC-AWEZNQCLSA-N 2 2 262.357 0.897 20 0 CCADLP C[N@@H+]1CC[C@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC000329233767 202246048 /nfs/dbraw/zinc/24/60/48/202246048.db2.gz MFVQUICLSSFSDC-AWEZNQCLSA-N 2 2 262.357 0.897 20 0 CCADLP C[N@H+]1CC[C@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC000329233767 202246051 /nfs/dbraw/zinc/24/60/51/202246051.db2.gz MFVQUICLSSFSDC-AWEZNQCLSA-N 2 2 262.357 0.897 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@H]1C ZINC000495063039 358314407 /nfs/dbraw/zinc/31/44/07/358314407.db2.gz XFBAYHTYNWIDIG-BARDWOONSA-N 2 2 295.427 0.554 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CCC(=O)NC1(C)C)C[NH+]1CCOCC1 ZINC000562364925 291147148 /nfs/dbraw/zinc/14/71/48/291147148.db2.gz LCAOGWGEDQKICZ-CHWSQXEVSA-N 2 2 283.416 0.602 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365401678 283362871 /nfs/dbraw/zinc/36/28/71/283362871.db2.gz GGSKUDCWWSKAQB-WDEREUQCSA-N 2 2 270.377 0.247 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365401678 283362875 /nfs/dbraw/zinc/36/28/75/283362875.db2.gz GGSKUDCWWSKAQB-WDEREUQCSA-N 2 2 270.377 0.247 20 0 CCADLP COCCOC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000515497076 358338657 /nfs/dbraw/zinc/33/86/57/358338657.db2.gz SGXWLVNOZLMOAR-MJBXVCDLSA-N 2 2 272.389 0.179 20 0 CCADLP COCCOC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000515497076 358338661 /nfs/dbraw/zinc/33/86/61/358338661.db2.gz SGXWLVNOZLMOAR-MJBXVCDLSA-N 2 2 272.389 0.179 20 0 CCADLP COCCOC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000515497076 358338665 /nfs/dbraw/zinc/33/86/65/358338665.db2.gz SGXWLVNOZLMOAR-MJBXVCDLSA-N 2 2 272.389 0.179 20 0 CCADLP COCCOC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000515497076 358338668 /nfs/dbraw/zinc/33/86/68/358338668.db2.gz SGXWLVNOZLMOAR-MJBXVCDLSA-N 2 2 272.389 0.179 20 0 CCADLP CCn1nncc1C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000530207062 358378873 /nfs/dbraw/zinc/37/88/73/358378873.db2.gz CTJHJXSDXJWOBA-MNOVXSKESA-N 2 2 253.350 0.155 20 0 CCADLP [NH3+]CCOCC[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000530230553 358384194 /nfs/dbraw/zinc/38/41/94/358384194.db2.gz AQRYRXQMJYBZGL-UHFFFAOYSA-N 2 2 262.357 0.687 20 0 CCADLP [NH3+]CCOCC[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000530230553 358384196 /nfs/dbraw/zinc/38/41/96/358384196.db2.gz AQRYRXQMJYBZGL-UHFFFAOYSA-N 2 2 262.357 0.687 20 0 CCADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCc1[nH]cc[nH+]1 ZINC000530643165 358413945 /nfs/dbraw/zinc/41/39/45/358413945.db2.gz UQJXCVSABJJTRZ-CYBMUJFWSA-N 2 2 280.372 0.819 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000565599119 358564064 /nfs/dbraw/zinc/56/40/64/358564064.db2.gz KQMSWBZLACVRNX-YCPHGPKFSA-N 2 2 295.427 0.746 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000565599119 358564070 /nfs/dbraw/zinc/56/40/70/358564070.db2.gz KQMSWBZLACVRNX-YCPHGPKFSA-N 2 2 295.427 0.746 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2CCSC2)C[C@H](C)O1 ZINC000567685316 358571694 /nfs/dbraw/zinc/57/16/94/358571694.db2.gz ZQNVMBBJCWKJBG-YVECIDJPSA-N 2 2 274.430 0.552 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2CCSC2)C[C@H](C)O1 ZINC000567685316 358571699 /nfs/dbraw/zinc/57/16/99/358571699.db2.gz ZQNVMBBJCWKJBG-YVECIDJPSA-N 2 2 274.430 0.552 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCOC(C)(C)C)C[C@H](C)O1 ZINC000567681217 358571828 /nfs/dbraw/zinc/57/18/28/358571828.db2.gz MFXNNHQIVFUYJK-HZSPNIEDSA-N 2 2 288.432 0.861 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCOC(C)(C)C)C[C@H](C)O1 ZINC000567681217 358571831 /nfs/dbraw/zinc/57/18/31/358571831.db2.gz MFXNNHQIVFUYJK-HZSPNIEDSA-N 2 2 288.432 0.861 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2CSC2(C)C)C[C@H](C)O1 ZINC000567707950 358574575 /nfs/dbraw/zinc/57/45/75/358574575.db2.gz GDNUPPUBERMACF-YVECIDJPSA-N 2 2 288.457 0.940 20 0 CCADLP C[C@H](C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)S(C)(=O)=O ZINC000567725862 358577266 /nfs/dbraw/zinc/57/72/66/358577266.db2.gz MKJBWZMJRPXQOD-GHMZBOCLSA-N 2 2 260.403 0.493 20 0 CCADLP C[C@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)S(C)(=O)=O ZINC000567725862 358577267 /nfs/dbraw/zinc/57/72/67/358577267.db2.gz MKJBWZMJRPXQOD-GHMZBOCLSA-N 2 2 260.403 0.493 20 0 CCADLP CCn1ncnc1C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000567736147 358579975 /nfs/dbraw/zinc/57/99/75/358579975.db2.gz MANVUDRUULPDKI-GFCCVEGCSA-N 2 2 294.403 0.118 20 0 CCADLP CCn1ncnc1C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000567736147 358579976 /nfs/dbraw/zinc/57/99/76/358579976.db2.gz MANVUDRUULPDKI-GFCCVEGCSA-N 2 2 294.403 0.118 20 0 CCADLP CC(C)[NH+]1CCN(CCC[NH2+]CC2([NH3+])CCC2)CC1 ZINC000567891237 358606987 /nfs/dbraw/zinc/60/69/87/358606987.db2.gz QSCHVVALVQQNOI-UHFFFAOYSA-N 3 2 268.449 0.874 20 0 CCADLP Cn1nc(C2CC2)nc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000567893682 358608448 /nfs/dbraw/zinc/60/84/48/358608448.db2.gz JGAZZAWGLRTYEX-CYBMUJFWSA-N 2 2 290.415 0.172 20 0 CCADLP Cn1nc(C2CC2)nc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000567893682 358608450 /nfs/dbraw/zinc/60/84/50/358608450.db2.gz JGAZZAWGLRTYEX-CYBMUJFWSA-N 2 2 290.415 0.172 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000567818374 358591222 /nfs/dbraw/zinc/59/12/22/358591222.db2.gz YSNHTZWQEDYZKM-JSGCOSHPSA-N 2 2 262.357 0.731 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000567822542 358593404 /nfs/dbraw/zinc/59/34/04/358593404.db2.gz AZSWCLGRHOVHHB-LLVKDONJSA-N 2 2 286.339 0.408 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)[NH+]1CC(C)C1 ZINC000568205257 358647200 /nfs/dbraw/zinc/64/72/00/358647200.db2.gz IUQQUGKBYZJCQU-UONOGXRCSA-N 2 2 297.443 0.630 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)[NH+]1CC(C)C1 ZINC000568205257 358647201 /nfs/dbraw/zinc/64/72/01/358647201.db2.gz IUQQUGKBYZJCQU-UONOGXRCSA-N 2 2 297.443 0.630 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000568227132 358652763 /nfs/dbraw/zinc/65/27/63/358652763.db2.gz SBSLCVUENICDCK-AGIUHOORSA-N 2 2 294.399 0.502 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000568227132 358652764 /nfs/dbraw/zinc/65/27/64/358652764.db2.gz SBSLCVUENICDCK-AGIUHOORSA-N 2 2 294.399 0.502 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000568227132 358652766 /nfs/dbraw/zinc/65/27/66/358652766.db2.gz SBSLCVUENICDCK-AGIUHOORSA-N 2 2 294.399 0.502 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000568227132 358652768 /nfs/dbraw/zinc/65/27/68/358652768.db2.gz SBSLCVUENICDCK-AGIUHOORSA-N 2 2 294.399 0.502 20 0 CCADLP Cc1[nH+]cc(C[NH2+]C[C@H](O)COCC(C)C)n1C ZINC000568269844 358660959 /nfs/dbraw/zinc/66/09/59/358660959.db2.gz ZTGHKPJUEJUHNR-ZDUSSCGKSA-N 2 2 255.362 0.852 20 0 CCADLP COc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c(F)c1 ZINC000568646756 358693520 /nfs/dbraw/zinc/69/35/20/358693520.db2.gz JDJITEHGHNTAMC-RISCZKNCSA-N 2 2 293.342 0.578 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C[NH+]1CCC(C)(C)C1 ZINC000568649624 358694723 /nfs/dbraw/zinc/69/47/23/358694723.db2.gz HSARUWGRJOHCOA-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C[NH+]1CCC(C)(C)C1 ZINC000568649624 358694724 /nfs/dbraw/zinc/69/47/24/358694724.db2.gz HSARUWGRJOHCOA-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000568649624 358694726 /nfs/dbraw/zinc/69/47/26/358694726.db2.gz HSARUWGRJOHCOA-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000568649624 358694727 /nfs/dbraw/zinc/69/47/27/358694727.db2.gz HSARUWGRJOHCOA-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C[C@@H](C)O)C(C)C ZINC000569234677 358746168 /nfs/dbraw/zinc/74/61/68/358746168.db2.gz HFFCUMOSLKKKLB-OLZOCXBDSA-N 2 2 262.394 0.017 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C[C@@H](C)O)C(C)C ZINC000569234677 358746169 /nfs/dbraw/zinc/74/61/69/358746169.db2.gz HFFCUMOSLKKKLB-OLZOCXBDSA-N 2 2 262.394 0.017 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C[C@@H](C)O)C(C)C ZINC000569234677 358746171 /nfs/dbraw/zinc/74/61/71/358746171.db2.gz HFFCUMOSLKKKLB-OLZOCXBDSA-N 2 2 262.394 0.017 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C[C@@H](C)O)C(C)C ZINC000569234677 358746172 /nfs/dbraw/zinc/74/61/72/358746172.db2.gz HFFCUMOSLKKKLB-OLZOCXBDSA-N 2 2 262.394 0.017 20 0 CCADLP COc1nc2ccccc2cc1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000568962742 358719922 /nfs/dbraw/zinc/71/99/22/358719922.db2.gz SHYTYBZAOHCWSK-ZDUSSCGKSA-N 2 2 275.352 0.995 20 0 CCADLP COc1nc2ccccc2cc1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000568962742 358719923 /nfs/dbraw/zinc/71/99/23/358719923.db2.gz SHYTYBZAOHCWSK-ZDUSSCGKSA-N 2 2 275.352 0.995 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](CO)c1ccccc1 ZINC000568996539 358724061 /nfs/dbraw/zinc/72/40/61/358724061.db2.gz JIJVXPLTORXACP-HZPDHXFCSA-N 2 2 296.411 0.591 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](CO)c1ccccc1 ZINC000568996539 358724063 /nfs/dbraw/zinc/72/40/63/358724063.db2.gz JIJVXPLTORXACP-HZPDHXFCSA-N 2 2 296.411 0.591 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](CO)c1ccccc1 ZINC000568996539 358724068 /nfs/dbraw/zinc/72/40/68/358724068.db2.gz JIJVXPLTORXACP-HZPDHXFCSA-N 2 2 296.411 0.591 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000569137202 358738784 /nfs/dbraw/zinc/73/87/84/358738784.db2.gz FDOPVLVLVRVKEM-VXGBXAGGSA-N 2 2 253.390 0.879 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000569137202 358738786 /nfs/dbraw/zinc/73/87/86/358738786.db2.gz FDOPVLVLVRVKEM-VXGBXAGGSA-N 2 2 253.390 0.879 20 0 CCADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)CC[C@H](C)[NH3+])C2)CC1 ZINC000569217935 358743019 /nfs/dbraw/zinc/74/30/19/358743019.db2.gz QUFIPQVSSUPKGO-UONOGXRCSA-N 2 2 282.432 0.352 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000569576176 358774796 /nfs/dbraw/zinc/77/47/96/358774796.db2.gz FQUDHOUCTSAWAR-OLZOCXBDSA-N 2 2 284.404 0.006 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000569576176 358774797 /nfs/dbraw/zinc/77/47/97/358774797.db2.gz FQUDHOUCTSAWAR-OLZOCXBDSA-N 2 2 284.404 0.006 20 0 CCADLP CCc1noc(C)c1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000570106231 358824804 /nfs/dbraw/zinc/82/48/04/358824804.db2.gz AIPJHOKBAXWMAB-JQWIXIFHSA-N 2 2 278.356 0.289 20 0 CCADLP CCc1noc(C)c1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000570106231 358824806 /nfs/dbraw/zinc/82/48/06/358824806.db2.gz AIPJHOKBAXWMAB-JQWIXIFHSA-N 2 2 278.356 0.289 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C2CC(C)(F)C2)C[C@H](C)O1 ZINC000569837387 358798204 /nfs/dbraw/zinc/79/82/04/358798204.db2.gz OFSFYQYEKYUPMC-NFMDPKQHSA-N 2 2 274.380 0.937 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C2CC(C)(F)C2)C[C@H](C)O1 ZINC000569837387 358798208 /nfs/dbraw/zinc/79/82/08/358798208.db2.gz OFSFYQYEKYUPMC-NFMDPKQHSA-N 2 2 274.380 0.937 20 0 CCADLP CCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000570210761 358833696 /nfs/dbraw/zinc/83/36/96/358833696.db2.gz UNFMKXSRQWMYMH-NWDGAFQWSA-N 2 2 285.388 0.115 20 0 CCADLP CCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000570210761 358833699 /nfs/dbraw/zinc/83/36/99/358833699.db2.gz UNFMKXSRQWMYMH-NWDGAFQWSA-N 2 2 285.388 0.115 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)OC2(CCC2)C1 ZINC000570643479 358879521 /nfs/dbraw/zinc/87/95/21/358879521.db2.gz XTOTUAYJWFNYRW-OLZOCXBDSA-N 2 2 256.390 0.942 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)OC2(CCC2)C1 ZINC000570643479 358879525 /nfs/dbraw/zinc/87/95/25/358879525.db2.gz XTOTUAYJWFNYRW-OLZOCXBDSA-N 2 2 256.390 0.942 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000570643479 358879527 /nfs/dbraw/zinc/87/95/27/358879527.db2.gz XTOTUAYJWFNYRW-OLZOCXBDSA-N 2 2 256.390 0.942 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000570643479 358879531 /nfs/dbraw/zinc/87/95/31/358879531.db2.gz XTOTUAYJWFNYRW-OLZOCXBDSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000570955743 358898662 /nfs/dbraw/zinc/89/86/62/358898662.db2.gz GMBRDRHQHBACFP-PVAVHDDUSA-N 2 2 291.439 0.986 20 0 CCADLP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000570955743 358898665 /nfs/dbraw/zinc/89/86/65/358898665.db2.gz GMBRDRHQHBACFP-PVAVHDDUSA-N 2 2 291.439 0.986 20 0 CCADLP O=C(COC1CC[NH2+]CC1)NCc1cn2ccccc2[nH+]1 ZINC000571041395 358905969 /nfs/dbraw/zinc/90/59/69/358905969.db2.gz QCSZCEKZGGBMGU-UHFFFAOYSA-N 2 2 288.351 0.719 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)CCC1CCOCC1 ZINC000573401081 358964214 /nfs/dbraw/zinc/96/42/14/358964214.db2.gz RKJQTAKZNOURHK-OAHLLOKOSA-N 2 2 288.432 0.674 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)CCC1CCOCC1 ZINC000573401081 358964216 /nfs/dbraw/zinc/96/42/16/358964216.db2.gz RKJQTAKZNOURHK-OAHLLOKOSA-N 2 2 288.432 0.674 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)CCC1CCOCC1 ZINC000573401081 358964217 /nfs/dbraw/zinc/96/42/17/358964217.db2.gz RKJQTAKZNOURHK-OAHLLOKOSA-N 2 2 288.432 0.674 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)CCC1CCOCC1 ZINC000573401081 358964219 /nfs/dbraw/zinc/96/42/19/358964219.db2.gz RKJQTAKZNOURHK-OAHLLOKOSA-N 2 2 288.432 0.674 20 0 CCADLP COc1nccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)n1 ZINC000573564414 358979129 /nfs/dbraw/zinc/97/91/29/358979129.db2.gz HTCNHMHZCDXHEW-MGPQQGTHSA-N 2 2 292.383 0.732 20 0 CCADLP Cc1ccc(OC[C@H](O)C[NH2+]C[C@H](O)C[NH+](C)C)cc1 ZINC000573090914 358936453 /nfs/dbraw/zinc/93/64/53/358936453.db2.gz OYWNQHRAMFOFKS-UONOGXRCSA-N 2 2 282.384 0.247 20 0 CCADLP Cc1cc(C)n2c(C[NH2+]C[C@@H]3C[NH2+]CCN3C)cnc2n1 ZINC000573187008 358945221 /nfs/dbraw/zinc/94/52/21/358945221.db2.gz LMAQNKJRKQJSIH-ZDUSSCGKSA-N 2 2 288.399 0.339 20 0 CCADLP COc1cc(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)ccc1O ZINC000573359458 358959611 /nfs/dbraw/zinc/95/96/11/358959611.db2.gz WKSSWKRRYWDHFC-ZDUSSCGKSA-N 2 2 280.368 0.946 20 0 CCADLP COc1cc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)ccc1O ZINC000573359458 358959614 /nfs/dbraw/zinc/95/96/14/358959614.db2.gz WKSSWKRRYWDHFC-ZDUSSCGKSA-N 2 2 280.368 0.946 20 0 CCADLP C[C@H](CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000562805300 291167930 /nfs/dbraw/zinc/16/79/30/291167930.db2.gz GGMXMWGECFZQNU-MGPQQGTHSA-N 3 2 282.432 0.114 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCC(F)(F)F)C[C@H](C)O1 ZINC000574151455 359032379 /nfs/dbraw/zinc/03/23/79/359032379.db2.gz MWYRLNOBHIQBFK-OUAUKWLOSA-N 2 2 284.322 0.999 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCC(F)(F)F)C[C@H](C)O1 ZINC000574151455 359032385 /nfs/dbraw/zinc/03/23/85/359032385.db2.gz MWYRLNOBHIQBFK-OUAUKWLOSA-N 2 2 284.322 0.999 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)C[NH2+]C1CC1 ZINC000574154572 359032551 /nfs/dbraw/zinc/03/25/51/359032551.db2.gz JMFDYOZQUPIYSZ-UHFFFAOYSA-N 2 2 250.346 0.907 20 0 CCADLP COC(C)(C)C[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000573677121 358989720 /nfs/dbraw/zinc/98/97/20/358989720.db2.gz SYKZPACHTPPRKY-AVGNSLFASA-N 2 2 274.405 0.471 20 0 CCADLP COc1cc([C@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)ccn1 ZINC000579971714 359072015 /nfs/dbraw/zinc/07/20/15/359072015.db2.gz GTPXSHGPPGCGIF-JSGCOSHPSA-N 2 2 278.400 0.987 20 0 CCADLP COc1cc([C@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)ccn1 ZINC000579971714 359072018 /nfs/dbraw/zinc/07/20/18/359072018.db2.gz GTPXSHGPPGCGIF-JSGCOSHPSA-N 2 2 278.400 0.987 20 0 CCADLP CCN(CC)C(=O)CCCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000580772960 359091762 /nfs/dbraw/zinc/09/17/62/359091762.db2.gz KHYWAWAVOAEUBF-CYBMUJFWSA-N 2 2 298.431 0.126 20 0 CCADLP CCN(CC)C(=O)CCCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000580772960 359091767 /nfs/dbraw/zinc/09/17/67/359091767.db2.gz KHYWAWAVOAEUBF-CYBMUJFWSA-N 2 2 298.431 0.126 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1=CC[N@H+](C)CC1 ZINC000579851120 359055393 /nfs/dbraw/zinc/05/53/93/359055393.db2.gz IPARTFNWIMLGQH-NSHDSACASA-N 2 2 262.357 0.966 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000579851120 359055397 /nfs/dbraw/zinc/05/53/97/359055397.db2.gz IPARTFNWIMLGQH-NSHDSACASA-N 2 2 262.357 0.966 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1=CC[N@H+](C)CC1 ZINC000579851120 359055402 /nfs/dbraw/zinc/05/54/02/359055402.db2.gz IPARTFNWIMLGQH-NSHDSACASA-N 2 2 262.357 0.966 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000579851120 359055407 /nfs/dbraw/zinc/05/54/07/359055407.db2.gz IPARTFNWIMLGQH-NSHDSACASA-N 2 2 262.357 0.966 20 0 CCADLP CCc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc(=O)[nH]1 ZINC000582359145 359138159 /nfs/dbraw/zinc/13/81/59/359138159.db2.gz RRLUKBRKQQSWFP-LBPRGKRZSA-N 2 2 278.356 0.065 20 0 CCADLP CCc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc(=O)[nH]1 ZINC000582359145 359138164 /nfs/dbraw/zinc/13/81/64/359138164.db2.gz RRLUKBRKQQSWFP-LBPRGKRZSA-N 2 2 278.356 0.065 20 0 CCADLP O=C1NCC[C@H]1CC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000583212135 359152130 /nfs/dbraw/zinc/15/21/30/359152130.db2.gz KHWFNPAZKSWZLI-LBPRGKRZSA-N 2 2 277.372 0.054 20 0 CCADLP NC(=O)NC(=O)CC[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000563002828 291180633 /nfs/dbraw/zinc/18/06/33/291180633.db2.gz LIGDATUEOZYGBY-NSHDSACASA-N 2 2 268.361 0.178 20 0 CCADLP NC(=O)NC(=O)CC[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000563002828 291180635 /nfs/dbraw/zinc/18/06/35/291180635.db2.gz LIGDATUEOZYGBY-NSHDSACASA-N 2 2 268.361 0.178 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000591458139 359595924 /nfs/dbraw/zinc/59/59/24/359595924.db2.gz YJZLYCGJOUVCED-STQMWFEESA-N 2 2 262.357 0.998 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000591458139 359595927 /nfs/dbraw/zinc/59/59/27/359595927.db2.gz YJZLYCGJOUVCED-STQMWFEESA-N 2 2 262.357 0.998 20 0 CCADLP C[C@H](C[S@@](C)=O)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000591760486 359654360 /nfs/dbraw/zinc/65/43/60/359654360.db2.gz LAYQHNOKESEXSG-WAWZGNHOSA-N 2 2 298.452 0.836 20 0 CCADLP C[C@H](C[S@@](C)=O)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000591760486 359654366 /nfs/dbraw/zinc/65/43/66/359654366.db2.gz LAYQHNOKESEXSG-WAWZGNHOSA-N 2 2 298.452 0.836 20 0 CCADLP CN(C)C(=O)CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591867332 359666491 /nfs/dbraw/zinc/66/64/91/359666491.db2.gz OVOPXKVHXQEVQS-LBPRGKRZSA-N 2 2 250.346 0.998 20 0 CCADLP CN(C)C(=O)CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591867332 359666495 /nfs/dbraw/zinc/66/64/95/359666495.db2.gz OVOPXKVHXQEVQS-LBPRGKRZSA-N 2 2 250.346 0.998 20 0 CCADLP NS(=O)(=O)CCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591868832 359667917 /nfs/dbraw/zinc/66/79/17/359667917.db2.gz GNKSRFODCJIZHA-LLVKDONJSA-N 2 2 272.374 0.199 20 0 CCADLP Cc1nc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)n[nH]1 ZINC000329357596 202297297 /nfs/dbraw/zinc/29/72/97/202297297.db2.gz WQSGRSYTWXNDJS-HOSYDEDBSA-N 2 2 251.378 0.974 20 0 CCADLP Cc1nc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)n[nH]1 ZINC000329357596 202297299 /nfs/dbraw/zinc/29/72/99/202297299.db2.gz WQSGRSYTWXNDJS-HOSYDEDBSA-N 2 2 251.378 0.974 20 0 CCADLP Cc1nnc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)[nH]1 ZINC000329357596 202297303 /nfs/dbraw/zinc/29/73/03/202297303.db2.gz WQSGRSYTWXNDJS-HOSYDEDBSA-N 2 2 251.378 0.974 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC000592485791 359853244 /nfs/dbraw/zinc/85/32/44/359853244.db2.gz ZDKWUCIGZPGMPY-SNVBAGLBSA-N 2 2 270.377 0.422 20 0 CCADLP C[C@@H]([NH2+]Cc1nnnn1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329459139 202346706 /nfs/dbraw/zinc/34/67/06/202346706.db2.gz RIRONDYCCHQHPJ-VXGBXAGGSA-N 2 2 278.404 0.953 20 0 CCADLP C[C@@H]([NH2+]Cc1nnnn1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000329459139 202346708 /nfs/dbraw/zinc/34/67/08/202346708.db2.gz RIRONDYCCHQHPJ-VXGBXAGGSA-N 2 2 278.404 0.953 20 0 CCADLP COC(=O)C(C)(C)CC[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000592428574 359836370 /nfs/dbraw/zinc/83/63/70/359836370.db2.gz BDGSPIMTDWZFTM-QWRGUYRKSA-N 2 2 258.362 0.624 20 0 CCADLP COC(=O)C(C)(C)CC[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000592428574 359836373 /nfs/dbraw/zinc/83/63/73/359836373.db2.gz BDGSPIMTDWZFTM-QWRGUYRKSA-N 2 2 258.362 0.624 20 0 CCADLP CS(=O)(=O)NCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000593292559 360062358 /nfs/dbraw/zinc/06/23/58/360062358.db2.gz HERJXWIKKQJRHX-NSHDSACASA-N 2 2 272.374 0.069 20 0 CCADLP CS(=O)(=O)NCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000593292559 360062363 /nfs/dbraw/zinc/06/23/63/360062363.db2.gz HERJXWIKKQJRHX-NSHDSACASA-N 2 2 272.374 0.069 20 0 CCADLP COC(=O)c1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1C ZINC000593904207 360201959 /nfs/dbraw/zinc/20/19/59/360201959.db2.gz SIKNCIQMZYOOMB-ZDUSSCGKSA-N 2 2 293.367 0.999 20 0 CCADLP COC(=O)CC1(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)CCCCC1 ZINC000593910147 360206277 /nfs/dbraw/zinc/20/62/77/360206277.db2.gz RQPWHIUMFZSRAJ-LBPRGKRZSA-N 2 2 299.415 0.648 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000594178071 360255729 /nfs/dbraw/zinc/25/57/29/360255729.db2.gz WELQFVWQIDSNEK-ZDUSSCGKSA-N 2 2 261.325 0.765 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000594178071 360255733 /nfs/dbraw/zinc/25/57/33/360255733.db2.gz WELQFVWQIDSNEK-ZDUSSCGKSA-N 2 2 261.325 0.765 20 0 CCADLP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000563374942 291219381 /nfs/dbraw/zinc/21/93/81/291219381.db2.gz CASPLYDUWNFBPN-MCIONIFRSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000563374942 291219382 /nfs/dbraw/zinc/21/93/82/291219382.db2.gz CASPLYDUWNFBPN-MCIONIFRSA-N 2 2 283.416 0.554 20 0 CCADLP O=C1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CCN1 ZINC000177115325 189029828 /nfs/dbraw/zinc/02/98/28/189029828.db2.gz WOXIMGYUEBRSFF-UHFFFAOYSA-N 2 2 271.324 0.589 20 0 CCADLP O=C1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CCN1 ZINC000177115325 189029829 /nfs/dbraw/zinc/02/98/29/189029829.db2.gz WOXIMGYUEBRSFF-UHFFFAOYSA-N 2 2 271.324 0.589 20 0 CCADLP C[C@H](C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C)[NH+]1CC(C)C1 ZINC000563397937 291223163 /nfs/dbraw/zinc/22/31/63/291223163.db2.gz NGIHPKFTPMWZRB-ZNMIVQPWSA-N 2 2 295.427 0.648 20 0 CCADLP Cc1nc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c(C)c(C)[nH+]1 ZINC000594702753 360363143 /nfs/dbraw/zinc/36/31/43/360363143.db2.gz WRBZWHIXLPSFAW-NEPJUHHUSA-N 2 2 275.356 0.150 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000594925342 360416920 /nfs/dbraw/zinc/41/69/20/360416920.db2.gz RUACARZOQWKRIT-YVECIDJPSA-N 2 2 269.389 0.019 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000594925342 360416924 /nfs/dbraw/zinc/41/69/24/360416924.db2.gz RUACARZOQWKRIT-YVECIDJPSA-N 2 2 269.389 0.019 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H]1C[C@H]1C(=O)OC ZINC000594927022 360417931 /nfs/dbraw/zinc/41/79/31/360417931.db2.gz QVOLWCLLQYYKTE-AAVRWANBSA-N 2 2 284.400 0.884 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H]1C[C@H]1C(=O)OC ZINC000594927022 360417936 /nfs/dbraw/zinc/41/79/36/360417936.db2.gz QVOLWCLLQYYKTE-AAVRWANBSA-N 2 2 284.400 0.884 20 0 CCADLP CC(=O)N1CC([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000563416098 291226785 /nfs/dbraw/zinc/22/67/85/291226785.db2.gz FRYLHDTZGKEZMQ-UHFFFAOYSA-N 2 2 288.395 0.866 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(OC)no3)C2)CC1 ZINC000595314182 360492935 /nfs/dbraw/zinc/49/29/35/360492935.db2.gz RLUBFCDBBRVHBG-ZDUSSCGKSA-N 2 2 294.399 0.895 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(OC)no3)C2)CC1 ZINC000595314182 360492937 /nfs/dbraw/zinc/49/29/37/360492937.db2.gz RLUBFCDBBRVHBG-ZDUSSCGKSA-N 2 2 294.399 0.895 20 0 CCADLP CC(=O)N1CC([NH2+]Cc2c[nH+]c3ccc(C)cn23)C1 ZINC000563419204 291227314 /nfs/dbraw/zinc/22/73/14/291227314.db2.gz UMFGIEDSVBSMFD-UHFFFAOYSA-N 2 2 258.325 0.963 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595506922 360555049 /nfs/dbraw/zinc/55/50/49/360555049.db2.gz IUIQJKSOCZBSMS-IUODEOHRSA-N 2 2 296.415 0.638 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595506922 360555055 /nfs/dbraw/zinc/55/50/55/360555055.db2.gz IUIQJKSOCZBSMS-IUODEOHRSA-N 2 2 296.415 0.638 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595506922 360555059 /nfs/dbraw/zinc/55/50/59/360555059.db2.gz IUIQJKSOCZBSMS-IUODEOHRSA-N 2 2 296.415 0.638 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595506922 360555063 /nfs/dbraw/zinc/55/50/63/360555063.db2.gz IUIQJKSOCZBSMS-IUODEOHRSA-N 2 2 296.415 0.638 20 0 CCADLP Cc1cc(NC(=O)NCCN2CC[NH2+]CC2)c(C)c[nH+]1 ZINC000563470640 291232887 /nfs/dbraw/zinc/23/28/87/291232887.db2.gz DAEKTRLCQKXTAA-UHFFFAOYSA-N 2 2 277.372 0.147 20 0 CCADLP CCC(CC)(C[NH2+]C[C@@H]1C[NH2+]CCO1)C(=O)OC ZINC000595890466 360691964 /nfs/dbraw/zinc/69/19/64/360691964.db2.gz DEAHNMRSLKLTAC-NSHDSACASA-N 2 2 258.362 0.544 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)c2csc(C[NH3+])n2)CCO1 ZINC000178744747 189142376 /nfs/dbraw/zinc/14/23/76/189142376.db2.gz YBQNRPQFOSZWFB-UHFFFAOYSA-N 2 2 298.412 0.442 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)c2csc(C[NH3+])n2)CCO1 ZINC000178744747 189142377 /nfs/dbraw/zinc/14/23/77/189142377.db2.gz YBQNRPQFOSZWFB-UHFFFAOYSA-N 2 2 298.412 0.442 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCCOCC2CC2)[C@H](C[NH3+])C1 ZINC000563559828 291238213 /nfs/dbraw/zinc/23/82/13/291238213.db2.gz FCAAMEHPDTUOSX-CYBMUJFWSA-N 2 2 284.404 0.087 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCCOCC2CC2)[C@H](C[NH3+])C1 ZINC000563559828 291238214 /nfs/dbraw/zinc/23/82/14/291238214.db2.gz FCAAMEHPDTUOSX-CYBMUJFWSA-N 2 2 284.404 0.087 20 0 CCADLP O=C(/C=C/c1[nH]cc[nH+]1)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000493593302 238231670 /nfs/dbraw/zinc/23/16/70/238231670.db2.gz QOUANSZGQQAAGS-JRBALWBOSA-N 2 2 271.324 0.998 20 0 CCADLP CS[C@@H](C)CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000596501109 360911612 /nfs/dbraw/zinc/91/16/12/360911612.db2.gz BOUPTYIXKUCAIS-LBPRGKRZSA-N 2 2 290.477 0.921 20 0 CCADLP CS[C@@H](C)CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000596501109 360911616 /nfs/dbraw/zinc/91/16/16/360911616.db2.gz BOUPTYIXKUCAIS-LBPRGKRZSA-N 2 2 290.477 0.921 20 0 CCADLP C[C@H](O)C[N@H+](Cc1nc(C(C)(C)[NH3+])no1)C1CC1 ZINC000655949579 412711309 /nfs/dbraw/zinc/71/13/09/412711309.db2.gz YLSUEHHFHIBIPU-QMMMGPOBSA-N 2 2 254.334 0.609 20 0 CCADLP C[C@H](O)C[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)C1CC1 ZINC000655949579 412711313 /nfs/dbraw/zinc/71/13/13/412711313.db2.gz YLSUEHHFHIBIPU-QMMMGPOBSA-N 2 2 254.334 0.609 20 0 CCADLP CCN(CCC[NH+](C)C)c1[nH+]cnc2[nH]cc(C(N)=O)c21 ZINC000621298297 366711513 /nfs/dbraw/zinc/71/15/13/366711513.db2.gz QZTDSAKSTAFDFI-UHFFFAOYSA-N 2 2 290.371 0.835 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@H](CO)C2)CC1 ZINC000621362813 366749554 /nfs/dbraw/zinc/74/95/54/366749554.db2.gz AISLFHDPEUMING-KKUMJFAQSA-N 2 2 297.443 0.489 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@H](CO)C2)CC1 ZINC000621362813 366749557 /nfs/dbraw/zinc/74/95/57/366749557.db2.gz AISLFHDPEUMING-KKUMJFAQSA-N 2 2 297.443 0.489 20 0 CCADLP Cc1nc(NC[C@](C)(O)C[NH+]2CCOCC2)c(C)c(C)[nH+]1 ZINC000301700912 201146172 /nfs/dbraw/zinc/14/61/72/201146172.db2.gz SKQUOFKLVKEPJD-HNNXBMFYSA-N 2 2 294.399 0.897 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2CCOC2(C)C)C[C@@H](C)O1 ZINC000564289081 291272995 /nfs/dbraw/zinc/27/29/95/291272995.db2.gz LYPVRIKKHXYVPC-AAVRWANBSA-N 2 2 286.416 0.614 20 0 CCADLP C[N@@H+]1CCO[C@H]2CN(c3cc(NCC4CC4)[nH+]cn3)C[C@@H]21 ZINC000301816336 201214854 /nfs/dbraw/zinc/21/48/54/201214854.db2.gz HBRPHSDSQGOLDV-STQMWFEESA-N 2 2 289.383 0.818 20 0 CCADLP C[N@H+]1CCO[C@H]2CN(c3cc(NCC4CC4)[nH+]cn3)C[C@@H]21 ZINC000301816336 201214857 /nfs/dbraw/zinc/21/48/57/201214857.db2.gz HBRPHSDSQGOLDV-STQMWFEESA-N 2 2 289.383 0.818 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CCN2CCOC[C@H]2C)n1C ZINC000564470112 291282271 /nfs/dbraw/zinc/28/22/71/291282271.db2.gz FACCEYWCZJIJJP-LLVKDONJSA-N 2 2 252.362 0.539 20 0 CCADLP CC[N@@H+]1CCC[C@H](CNC(=O)NCc2c[nH+]cn2C)C1 ZINC000564597957 291288464 /nfs/dbraw/zinc/28/84/64/291288464.db2.gz MCHRDOZOEBCXPQ-GFCCVEGCSA-N 2 2 279.388 0.951 20 0 CCADLP CC[N@H+]1CCC[C@H](CNC(=O)NCc2c[nH+]cn2C)C1 ZINC000564597957 291288466 /nfs/dbraw/zinc/28/84/66/291288466.db2.gz MCHRDOZOEBCXPQ-GFCCVEGCSA-N 2 2 279.388 0.951 20 0 CCADLP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2CCC[C@](C)(F)C2)C1=O ZINC000564632334 291289230 /nfs/dbraw/zinc/28/92/30/291289230.db2.gz XERJXPFYQGAHJZ-RISCZKNCSA-N 2 2 285.363 0.500 20 0 CCADLP C[NH+](C)CCN1C(=O)C[C@@H]([N@H+]2CCC[C@](C)(F)C2)C1=O ZINC000564632334 291289232 /nfs/dbraw/zinc/28/92/32/291289232.db2.gz XERJXPFYQGAHJZ-RISCZKNCSA-N 2 2 285.363 0.500 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)N[C@]2(C)CC[NH2+]C2)c2[nH+]ccn21 ZINC000612909263 364042915 /nfs/dbraw/zinc/04/29/15/364042915.db2.gz TVCSPIDRBCGLOW-GIPNMCIBSA-N 2 2 263.345 0.940 20 0 CCADLP C[C@@H](C(=O)N1CCCC[C@@H]1CC[NH3+])[NH+]1CCN(C)CC1 ZINC000564803445 291302180 /nfs/dbraw/zinc/30/21/80/291302180.db2.gz MDGYIKJIPRZHAN-UONOGXRCSA-N 2 2 282.432 0.352 20 0 CCADLP OCC[NH2+]C1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC000631862172 370721981 /nfs/dbraw/zinc/72/19/81/370721981.db2.gz MYMHARPQLGLFKM-NSHDSACASA-N 2 2 264.316 0.457 20 0 CCADLP C[C@@H]1C[NH2+][C@@H](C)CN1S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631929814 370764189 /nfs/dbraw/zinc/76/41/89/370764189.db2.gz OUCFJAXHFKNLGO-WDEREUQCSA-N 2 2 275.418 0.093 20 0 CCADLP O=C(CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)N1CCOCC1 ZINC000631885627 370736493 /nfs/dbraw/zinc/73/64/93/370736493.db2.gz ACDLDDZMNMIJIT-ZIAGYGMSSA-N 2 2 281.400 0.309 20 0 CCADLP O=C(CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)N1CCOCC1 ZINC000631885627 370736498 /nfs/dbraw/zinc/73/64/98/370736498.db2.gz ACDLDDZMNMIJIT-ZIAGYGMSSA-N 2 2 281.400 0.309 20 0 CCADLP C[NH+](C)C1(CS(=O)(=O)N2CC[NH2+]C[C@@](C)(F)C2)CC1 ZINC000631940176 370775061 /nfs/dbraw/zinc/77/50/61/370775061.db2.gz QSTMKBJPGSVNSQ-LLVKDONJSA-N 2 2 293.408 0.044 20 0 CCADLP C[C@H]1[C@H]([NH+]2CCOCC2)CCN1CC[N@@H+]1CCCOCC1 ZINC000361382828 291307196 /nfs/dbraw/zinc/30/71/96/291307196.db2.gz XQVKYGBCLFBIJA-JKSUJKDBSA-N 2 2 297.443 0.504 20 0 CCADLP C[C@H]1[C@H]([NH+]2CCOCC2)CCN1CC[N@H+]1CCCOCC1 ZINC000361382828 291307198 /nfs/dbraw/zinc/30/71/98/291307198.db2.gz XQVKYGBCLFBIJA-JKSUJKDBSA-N 2 2 297.443 0.504 20 0 CCADLP C[NH+]1CC2(C1)CCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC000614033878 364467329 /nfs/dbraw/zinc/46/73/29/364467329.db2.gz DGMLTMUSGBTRED-UHFFFAOYSA-N 2 2 262.357 0.851 20 0 CCADLP O=S1(=O)Cc2ccccc2[C@@H]([NH2+]C[C@@H]2CC[NH2+]C2)C1 ZINC000621776381 366864118 /nfs/dbraw/zinc/86/41/18/366864118.db2.gz KDEDWQHQALEGBC-RISCZKNCSA-N 2 2 280.393 0.855 20 0 CCADLP CN(C)S(=O)(=O)CCC[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621782096 366865990 /nfs/dbraw/zinc/86/59/90/366865990.db2.gz MIXVJFZBJAUGIT-NEPJUHHUSA-N 2 2 275.418 0.081 20 0 CCADLP CN(C)S(=O)(=O)CCC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621782096 366865995 /nfs/dbraw/zinc/86/59/95/366865995.db2.gz MIXVJFZBJAUGIT-NEPJUHHUSA-N 2 2 275.418 0.081 20 0 CCADLP CC(C)[C@H](C(=O)N[C@H](C)C[NH+]1CCN(C)CC1)[C@H](C)[NH3+] ZINC000564922534 291316341 /nfs/dbraw/zinc/31/63/41/291316341.db2.gz VFEGMVGYIGJDLX-RDBSUJKOSA-N 2 2 284.448 0.358 20 0 CCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@H]2CSC[NH2+]2)C1 ZINC000335656503 212374648 /nfs/dbraw/zinc/37/46/48/212374648.db2.gz KJTVOERQHBPUJB-NWDGAFQWSA-N 2 2 294.424 0.864 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000614515047 364642814 /nfs/dbraw/zinc/64/28/14/364642814.db2.gz SFZLLFJNQOMHOQ-GXTWGEPZSA-N 2 2 291.399 0.094 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000614515047 364642817 /nfs/dbraw/zinc/64/28/17/364642817.db2.gz SFZLLFJNQOMHOQ-GXTWGEPZSA-N 2 2 291.399 0.094 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000614515047 364642820 /nfs/dbraw/zinc/64/28/20/364642820.db2.gz SFZLLFJNQOMHOQ-GXTWGEPZSA-N 2 2 291.399 0.094 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000614515047 364642822 /nfs/dbraw/zinc/64/28/22/364642822.db2.gz SFZLLFJNQOMHOQ-GXTWGEPZSA-N 2 2 291.399 0.094 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000614702337 364702409 /nfs/dbraw/zinc/70/24/09/364702409.db2.gz IDVQTAXAXGBZMZ-RAIGVLPGSA-N 2 2 285.351 0.851 20 0 CCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C1([NH+](C)C)CC1 ZINC000614718197 364709291 /nfs/dbraw/zinc/70/92/91/364709291.db2.gz QLIOPZYJGZYBKO-STQMWFEESA-N 2 2 281.400 0.402 20 0 CCADLP CN1CC[NH+](CC2CN(C(=O)C[NH+]3CC(C)(C)C3)C2)CC1 ZINC000615278295 364905510 /nfs/dbraw/zinc/90/55/10/364905510.db2.gz CXRGXILVXLSKHK-UHFFFAOYSA-N 2 2 294.443 0.034 20 0 CCADLP C[NH+]1CCN(CC2CN(C(=O)C[NH+]3CC(C)(C)C3)C2)CC1 ZINC000615278295 364905515 /nfs/dbraw/zinc/90/55/15/364905515.db2.gz CXRGXILVXLSKHK-UHFFFAOYSA-N 2 2 294.443 0.034 20 0 CCADLP C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000615304326 364913843 /nfs/dbraw/zinc/91/38/43/364913843.db2.gz LGUNOLAHOSOBNO-JQWIXIFHSA-N 2 2 250.346 0.893 20 0 CCADLP C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000615304326 364913850 /nfs/dbraw/zinc/91/38/50/364913850.db2.gz LGUNOLAHOSOBNO-JQWIXIFHSA-N 2 2 250.346 0.893 20 0 CCADLP CC(C)OC[C@H](O)C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000564975691 291329138 /nfs/dbraw/zinc/32/91/38/291329138.db2.gz MCEVKHYWQVYPKQ-ZIAGYGMSSA-N 2 2 274.405 0.209 20 0 CCADLP CC(C)OC[C@H](O)C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000564975691 291329140 /nfs/dbraw/zinc/32/91/40/291329140.db2.gz MCEVKHYWQVYPKQ-ZIAGYGMSSA-N 2 2 274.405 0.209 20 0 CCADLP CS(=O)(=O)CC1(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000564987202 291331636 /nfs/dbraw/zinc/33/16/36/291331636.db2.gz SNGXUUBQTQKFQZ-CYBMUJFWSA-N 2 2 286.441 0.887 20 0 CCADLP CS(=O)(=O)CC1(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000564987202 291331637 /nfs/dbraw/zinc/33/16/37/291331637.db2.gz SNGXUUBQTQKFQZ-CYBMUJFWSA-N 2 2 286.441 0.887 20 0 CCADLP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CN(C)C(=O)O2)CC[N@@H+]1C ZINC000496559197 240178391 /nfs/dbraw/zinc/17/83/91/240178391.db2.gz OOKBKUZUMKIUPR-IJLUTSLNSA-N 2 2 255.362 0.852 20 0 CCADLP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CN(C)C(=O)O2)CC[N@H+]1C ZINC000496559197 240178402 /nfs/dbraw/zinc/17/84/02/240178402.db2.gz OOKBKUZUMKIUPR-IJLUTSLNSA-N 2 2 255.362 0.852 20 0 CCADLP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CN(C)C(=O)O2)CC[NH+]1C ZINC000496559197 240178407 /nfs/dbraw/zinc/17/84/07/240178407.db2.gz OOKBKUZUMKIUPR-IJLUTSLNSA-N 2 2 255.362 0.852 20 0 CCADLP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CN(C)C(=O)O2)CC[NH+]1C ZINC000496559197 240178413 /nfs/dbraw/zinc/17/84/13/240178413.db2.gz OOKBKUZUMKIUPR-IJLUTSLNSA-N 2 2 255.362 0.852 20 0 CCADLP CC[C@H](C(=O)N1CC(C[NH+](C)C)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000615507071 364988830 /nfs/dbraw/zinc/98/88/30/364988830.db2.gz XLCNLWJECWWKTL-HUUCEWRRSA-N 2 2 297.443 0.896 20 0 CCADLP CC[C@H](C(=O)N1CC(C[NH+](C)C)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000615507071 364988834 /nfs/dbraw/zinc/98/88/34/364988834.db2.gz XLCNLWJECWWKTL-HUUCEWRRSA-N 2 2 297.443 0.896 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615537478 364996715 /nfs/dbraw/zinc/99/67/15/364996715.db2.gz MRAQSIMVQZOAGN-CYBMUJFWSA-N 2 2 292.383 0.286 20 0 CCADLP C[NH+](C)CCCNC(=O)NCCCCn1cc[nH+]c1 ZINC000615910215 365126139 /nfs/dbraw/zinc/12/61/39/365126139.db2.gz IGOUGJKXXCEBGW-UHFFFAOYSA-N 2 2 267.377 0.914 20 0 CCADLP C[C@@H](NC(=O)NCC1([NH3+])CCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000417517423 296077654 /nfs/dbraw/zinc/07/76/54/296077654.db2.gz IXUMFWHTGYCYJU-VXGBXAGGSA-N 2 2 284.404 0.276 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000616307506 365258202 /nfs/dbraw/zinc/25/82/02/365258202.db2.gz QPIGNLJFXNBXKI-QWRGUYRKSA-N 2 2 262.357 0.725 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000616307506 365258206 /nfs/dbraw/zinc/25/82/06/365258206.db2.gz QPIGNLJFXNBXKI-QWRGUYRKSA-N 2 2 262.357 0.725 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000616307506 365258211 /nfs/dbraw/zinc/25/82/11/365258211.db2.gz QPIGNLJFXNBXKI-QWRGUYRKSA-N 2 2 262.357 0.725 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000616307506 365258215 /nfs/dbraw/zinc/25/82/15/365258215.db2.gz QPIGNLJFXNBXKI-QWRGUYRKSA-N 2 2 262.357 0.725 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@]1(C)CCCO ZINC000565162089 291349659 /nfs/dbraw/zinc/34/96/59/291349659.db2.gz HDDQIYIGYFZTQV-GJZGRUSLSA-N 2 2 288.432 0.553 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@]1(C)CCCO ZINC000565162089 291349662 /nfs/dbraw/zinc/34/96/62/291349662.db2.gz HDDQIYIGYFZTQV-GJZGRUSLSA-N 2 2 288.432 0.553 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@]1(C)CCCO ZINC000565162089 291349665 /nfs/dbraw/zinc/34/96/65/291349665.db2.gz HDDQIYIGYFZTQV-GJZGRUSLSA-N 2 2 288.432 0.553 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@]1(C)CCCO ZINC000565162089 291349667 /nfs/dbraw/zinc/34/96/67/291349667.db2.gz HDDQIYIGYFZTQV-GJZGRUSLSA-N 2 2 288.432 0.553 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000565155332 291348190 /nfs/dbraw/zinc/34/81/90/291348190.db2.gz DOBWVHWXXAKXED-ZIAGYGMSSA-N 3 2 296.459 0.787 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000565155332 291348191 /nfs/dbraw/zinc/34/81/91/291348191.db2.gz DOBWVHWXXAKXED-ZIAGYGMSSA-N 3 2 296.459 0.787 20 0 CCADLP C[C@@H](CNC(=O)[C@H](c1c[nH+]cn1C)N(C)C)[NH+](C)C ZINC000616489363 365340931 /nfs/dbraw/zinc/34/09/31/365340931.db2.gz YXVHYMJYXHNSMM-JQWIXIFHSA-N 2 2 267.377 0.089 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC[C@H]2CC2(F)F)[C@H](C[NH3+])C1 ZINC000621851279 366895117 /nfs/dbraw/zinc/89/51/17/366895117.db2.gz PYFVMPIWPOIFMB-VHSXEESVSA-N 2 2 276.331 0.316 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC[C@H]2CC2(F)F)[C@H](C[NH3+])C1 ZINC000621851279 366895121 /nfs/dbraw/zinc/89/51/21/366895121.db2.gz PYFVMPIWPOIFMB-VHSXEESVSA-N 2 2 276.331 0.316 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000565307219 291371558 /nfs/dbraw/zinc/37/15/58/291371558.db2.gz LJPBJFWODCQYFE-UPJWGTAASA-N 2 2 269.389 0.211 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000565307219 291371561 /nfs/dbraw/zinc/37/15/61/291371561.db2.gz LJPBJFWODCQYFE-UPJWGTAASA-N 2 2 269.389 0.211 20 0 CCADLP Cc1nc(N)c(CNC(=O)C[C@@H](C)n2cc[nH+]c2)c[nH+]1 ZINC000565310602 291371605 /nfs/dbraw/zinc/37/16/05/291371605.db2.gz ZZFTTXHCGFLGOI-SECBINFHSA-N 2 2 274.328 0.662 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000622083334 367014609 /nfs/dbraw/zinc/01/46/09/367014609.db2.gz BSZQWMKJVUEPBH-STQMWFEESA-N 2 2 291.399 0.470 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000622083334 367014616 /nfs/dbraw/zinc/01/46/16/367014616.db2.gz BSZQWMKJVUEPBH-STQMWFEESA-N 2 2 291.399 0.470 20 0 CCADLP CCN(CCC[NH+](C)C)C(=O)[C@H]([NH3+])c1cscn1 ZINC000566196062 291373243 /nfs/dbraw/zinc/37/32/43/291373243.db2.gz AKXALMBSOVVNGW-LLVKDONJSA-N 2 2 270.402 0.943 20 0 CCADLP C[NH+](C)C1(CS(=O)(=O)N2CCc3c[nH+]ccc32)CC1 ZINC000632072294 370858273 /nfs/dbraw/zinc/85/82/73/370858273.db2.gz APAUKLJWXVGAMS-UHFFFAOYSA-N 2 2 281.381 0.868 20 0 CCADLP CC(C)[C@@H](O)CC[NH2+]C[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000566232907 291380359 /nfs/dbraw/zinc/38/03/59/291380359.db2.gz FAVUEVADGORDHH-TUVASFSCSA-N 2 2 288.432 0.453 20 0 CCADLP CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623178979 367467443 /nfs/dbraw/zinc/46/74/43/367467443.db2.gz PMRORNBPZCLJPB-NEPJUHHUSA-N 2 2 276.384 0.950 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCC[NH2+]C1 ZINC000623175815 367462498 /nfs/dbraw/zinc/46/24/98/367462498.db2.gz OZPZVSBDSNOJGB-XQQFMLRXSA-N 2 2 276.384 0.950 20 0 CCADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000623176658 367464564 /nfs/dbraw/zinc/46/45/64/367464564.db2.gz KGRVTJZYYNBODN-YPMHNXCESA-N 2 2 274.368 0.798 20 0 CCADLP C[C@H](C(=O)N[C@H]1CCn2c[nH+]cc2C1)[NH+]1CCSCC1 ZINC000623308009 367529021 /nfs/dbraw/zinc/52/90/21/367529021.db2.gz SNMVMGJBSDGGEK-NEPJUHHUSA-N 2 2 294.424 0.751 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623266337 367503460 /nfs/dbraw/zinc/50/34/60/367503460.db2.gz YJRUWFZFZNBZKY-UTUOFQBUSA-N 2 2 262.357 0.797 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NCC[NH+]1CCCC1)CC2 ZINC000623544814 367590436 /nfs/dbraw/zinc/59/04/36/367590436.db2.gz MHJPUFFUIBGYMZ-CYBMUJFWSA-N 2 2 276.384 0.966 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1COCC[NH+]1C ZINC000623749042 367644438 /nfs/dbraw/zinc/64/44/38/367644438.db2.gz SCKQZINHDAZTGH-XBFCOCLRSA-N 2 2 296.415 0.099 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1COCC[NH+]1C ZINC000623749042 367644443 /nfs/dbraw/zinc/64/44/43/367644443.db2.gz SCKQZINHDAZTGH-XBFCOCLRSA-N 2 2 296.415 0.099 20 0 CCADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623749042 367644447 /nfs/dbraw/zinc/64/44/47/367644447.db2.gz SCKQZINHDAZTGH-XBFCOCLRSA-N 2 2 296.415 0.099 20 0 CCADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623749042 367644454 /nfs/dbraw/zinc/64/44/54/367644454.db2.gz SCKQZINHDAZTGH-XBFCOCLRSA-N 2 2 296.415 0.099 20 0 CCADLP O[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000623759333 367648740 /nfs/dbraw/zinc/64/87/40/367648740.db2.gz IKHHEOSTGBXKCO-QWHCGFSZSA-N 2 2 254.374 0.744 20 0 CCADLP O[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000623759333 367648742 /nfs/dbraw/zinc/64/87/42/367648742.db2.gz IKHHEOSTGBXKCO-QWHCGFSZSA-N 2 2 254.374 0.744 20 0 CCADLP Nc1nc(N)[nH+]c(NC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000623789926 367658627 /nfs/dbraw/zinc/65/86/27/367658627.db2.gz QOYKXGLRAHLPHL-UHFFFAOYSA-N 2 2 299.382 0.195 20 0 CCADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCOC[C@H]3O)n2c1 ZINC000623765520 367651495 /nfs/dbraw/zinc/65/14/95/367651495.db2.gz UVVZREVRLXMIAA-CHWSQXEVSA-N 2 2 261.325 0.882 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCN(C)CC(F)F)n1C ZINC000623832019 367671981 /nfs/dbraw/zinc/67/19/81/367671981.db2.gz FYQFMRTYOXGOSV-UHFFFAOYSA-N 2 2 275.347 0.773 20 0 CCADLP C[NH+](C)C1(CS(=O)(=O)NCCNc2cccc[nH+]2)CC1 ZINC000632096819 370869665 /nfs/dbraw/zinc/86/96/65/370869665.db2.gz IHWGTWPDGJNFPN-UHFFFAOYSA-N 2 2 298.412 0.507 20 0 CCADLP Cn1c2ccc(Nc3nc(N)[nH+]c(N)n3)cc2[nH+]c1C1CC1 ZINC000624072220 367744112 /nfs/dbraw/zinc/74/41/12/367744112.db2.gz XWQWLNUSJKMWAJ-UHFFFAOYSA-N 2 2 296.338 0.626 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCOC1 ZINC000624085381 367747906 /nfs/dbraw/zinc/74/79/06/367747906.db2.gz QSANZOPOYDEKNM-RYUDHWBXSA-N 2 2 255.362 0.095 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCOC1 ZINC000624085381 367747912 /nfs/dbraw/zinc/74/79/12/367747912.db2.gz QSANZOPOYDEKNM-RYUDHWBXSA-N 2 2 255.362 0.095 20 0 CCADLP C[C@@H](CCn1cccn1)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624230367 367796199 /nfs/dbraw/zinc/79/61/99/367796199.db2.gz WDNLDXAOVPPSMG-QWHCGFSZSA-N 2 2 252.362 0.318 20 0 CCADLP C[C@@H](CCn1cccn1)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624230367 367796208 /nfs/dbraw/zinc/79/62/08/367796208.db2.gz WDNLDXAOVPPSMG-QWHCGFSZSA-N 2 2 252.362 0.318 20 0 CCADLP C[NH+](C)[C@H]1CN(c2nc3ccccc3n3c[nH+]cc23)C[C@@H]1O ZINC000624234347 367798216 /nfs/dbraw/zinc/79/82/16/367798216.db2.gz PZFICDCMPILEIZ-GJZGRUSLSA-N 2 2 297.362 0.994 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000624336595 367837992 /nfs/dbraw/zinc/83/79/92/367837992.db2.gz UWBMYHMXKLBRSW-OLZOCXBDSA-N 2 2 298.431 0.489 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000624336595 367837994 /nfs/dbraw/zinc/83/79/94/367837994.db2.gz UWBMYHMXKLBRSW-OLZOCXBDSA-N 2 2 298.431 0.489 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000624336595 367837997 /nfs/dbraw/zinc/83/79/97/367837997.db2.gz UWBMYHMXKLBRSW-OLZOCXBDSA-N 2 2 298.431 0.489 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000624336595 367837999 /nfs/dbraw/zinc/83/79/99/367837999.db2.gz UWBMYHMXKLBRSW-OLZOCXBDSA-N 2 2 298.431 0.489 20 0 CCADLP COc1cccc(C[C@@H](C)[NH2+]CC[N@@H+]2CC[C@H](O)C2)n1 ZINC000624338053 367838659 /nfs/dbraw/zinc/83/86/59/367838659.db2.gz SEECUUCAQUSLTH-OCCSQVGLSA-N 2 2 279.384 0.677 20 0 CCADLP COc1cccc(C[C@@H](C)[NH2+]CC[N@H+]2CC[C@H](O)C2)n1 ZINC000624338053 367838666 /nfs/dbraw/zinc/83/86/66/367838666.db2.gz SEECUUCAQUSLTH-OCCSQVGLSA-N 2 2 279.384 0.677 20 0 CCADLP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC[N@@H+]3CC[C@H](O)C3)C[C@H]2C1 ZINC000624339892 367840057 /nfs/dbraw/zinc/84/00/57/367840057.db2.gz VCEKXJSMBJPJPZ-AIEDFZFUSA-N 2 2 268.401 0.846 20 0 CCADLP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC[N@H+]3CC[C@H](O)C3)C[C@H]2C1 ZINC000624339892 367840060 /nfs/dbraw/zinc/84/00/60/367840060.db2.gz VCEKXJSMBJPJPZ-AIEDFZFUSA-N 2 2 268.401 0.846 20 0 CCADLP O[C@H]1CCN(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000624339163 367840073 /nfs/dbraw/zinc/84/00/73/367840073.db2.gz MSPGKWBHNJGYRP-JKSUJKDBSA-N 2 2 297.443 0.286 20 0 CCADLP C[NH+]1CCC([NH2+][C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000624341857 367840391 /nfs/dbraw/zinc/84/03/91/367840391.db2.gz TTZAORWVXFKCBI-ZDUSSCGKSA-N 2 2 251.374 0.824 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000624744382 367980480 /nfs/dbraw/zinc/98/04/80/367980480.db2.gz QSEKOFLNTOAKOQ-RDBSUJKOSA-N 2 2 296.415 0.243 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000624744382 367980486 /nfs/dbraw/zinc/98/04/86/367980486.db2.gz QSEKOFLNTOAKOQ-RDBSUJKOSA-N 2 2 296.415 0.243 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000624744382 367980493 /nfs/dbraw/zinc/98/04/93/367980493.db2.gz QSEKOFLNTOAKOQ-RDBSUJKOSA-N 2 2 296.415 0.243 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000624744382 367980497 /nfs/dbraw/zinc/98/04/97/367980497.db2.gz QSEKOFLNTOAKOQ-RDBSUJKOSA-N 2 2 296.415 0.243 20 0 CCADLP C[C@@H]([C@@H]1CCC[NH2+]C1)[NH+]1CCN(c2nncn2C)CC1 ZINC000656199693 412763895 /nfs/dbraw/zinc/76/38/95/412763895.db2.gz AYFWITWEJZWAIL-QWHCGFSZSA-N 2 2 278.404 0.325 20 0 CCADLP CC(C)[C@@H](O)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625544003 368237887 /nfs/dbraw/zinc/23/78/87/368237887.db2.gz JSNRWUGSEYICAQ-AWEZNQCLSA-N 2 2 256.390 0.800 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCN(Cc2cn[nH]c2)CC1 ZINC000625472034 368214348 /nfs/dbraw/zinc/21/43/48/368214348.db2.gz OYOSYDFBJHKKLD-UHFFFAOYSA-N 2 2 274.372 0.732 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCc2c(O)cccc2C1 ZINC000626028212 368401663 /nfs/dbraw/zinc/40/16/63/368401663.db2.gz BIRHUMQUDKIBMG-AWEZNQCLSA-N 2 2 294.395 0.689 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCc2c(O)cccc2C1 ZINC000626028212 368401671 /nfs/dbraw/zinc/40/16/71/368401671.db2.gz BIRHUMQUDKIBMG-AWEZNQCLSA-N 2 2 294.395 0.689 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCc2c(O)cccc2C1 ZINC000626028212 368401678 /nfs/dbraw/zinc/40/16/78/368401678.db2.gz BIRHUMQUDKIBMG-AWEZNQCLSA-N 2 2 294.395 0.689 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCc2c(O)cccc2C1 ZINC000626028212 368401683 /nfs/dbraw/zinc/40/16/83/368401683.db2.gz BIRHUMQUDKIBMG-AWEZNQCLSA-N 2 2 294.395 0.689 20 0 CCADLP C[C@@H](C[NH+](C)C)[NH2+]CCC(=O)Nc1cccnc1 ZINC000574195408 334999847 /nfs/dbraw/zinc/99/98/47/334999847.db2.gz WMAAVSXENAXPHT-NSHDSACASA-N 2 2 250.346 0.950 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCO[C@@H](CC(N)=O)C1 ZINC000626081488 368432017 /nfs/dbraw/zinc/43/20/17/368432017.db2.gz FZISIIQTJUFVJQ-OLZOCXBDSA-N 2 2 269.389 0.437 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCO[C@@H](CC(N)=O)C1 ZINC000626081488 368432023 /nfs/dbraw/zinc/43/20/23/368432023.db2.gz FZISIIQTJUFVJQ-OLZOCXBDSA-N 2 2 269.389 0.437 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626081488 368432028 /nfs/dbraw/zinc/43/20/28/368432028.db2.gz FZISIIQTJUFVJQ-OLZOCXBDSA-N 2 2 269.389 0.437 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626081488 368432029 /nfs/dbraw/zinc/43/20/29/368432029.db2.gz FZISIIQTJUFVJQ-OLZOCXBDSA-N 2 2 269.389 0.437 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262931807 284067611 /nfs/dbraw/zinc/06/76/11/284067611.db2.gz HWZMUSQLAXFYJX-VWYCJHECSA-N 2 2 273.327 0.727 20 0 CCADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262931807 284067615 /nfs/dbraw/zinc/06/76/15/284067615.db2.gz HWZMUSQLAXFYJX-VWYCJHECSA-N 2 2 273.327 0.727 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000626963199 368698111 /nfs/dbraw/zinc/69/81/11/368698111.db2.gz ZKKHZBRQAPIFKE-QWHCGFSZSA-N 2 2 298.431 0.537 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000626963199 368698114 /nfs/dbraw/zinc/69/81/14/368698114.db2.gz ZKKHZBRQAPIFKE-QWHCGFSZSA-N 2 2 298.431 0.537 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)C[NH2+]1 ZINC000626961574 368698698 /nfs/dbraw/zinc/69/86/98/368698698.db2.gz ALGYIZNOJLJUQI-STQMWFEESA-N 2 2 298.431 0.537 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)NCC[N@H+]2CCOC(C)(C)C2)C[NH2+]1 ZINC000626961574 368698701 /nfs/dbraw/zinc/69/87/01/368698701.db2.gz ALGYIZNOJLJUQI-STQMWFEESA-N 2 2 298.431 0.537 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)C[NH2+]1 ZINC000626920769 368678176 /nfs/dbraw/zinc/67/81/76/368678176.db2.gz KNWIHGYNRCOIHV-CHWSQXEVSA-N 2 2 298.431 0.537 20 0 CCADLP C[C@H](C[NH2+][C@@H](C)c1ccc(=O)[nH]n1)C[NH+]1CCOCC1 ZINC000330606769 203029496 /nfs/dbraw/zinc/02/94/96/203029496.db2.gz JBQXZTJCECQXOR-NEPJUHHUSA-N 2 2 280.372 0.801 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NCCOCC[NH2+]C ZINC000627053082 368758613 /nfs/dbraw/zinc/75/86/13/368758613.db2.gz XEOJULXPYNCOPN-LLVKDONJSA-N 2 2 283.376 0.499 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)N(C)Cc2[nH+]ccn2C)C[NH2+]1 ZINC000627203370 368871814 /nfs/dbraw/zinc/87/18/14/368871814.db2.gz WHEDAAZAAMVQCZ-QWRGUYRKSA-N 2 2 265.361 0.702 20 0 CCADLP C[C@H]1CC[C@@H](NC(=O)N(C)Cc2c[nH+]c[nH]2)C[NH2+]1 ZINC000627209529 368882049 /nfs/dbraw/zinc/88/20/49/368882049.db2.gz GFKCFWVHEKDYAF-VHSXEESVSA-N 2 2 251.334 0.692 20 0 CCADLP C[C@H]1CC[C@@H](NC(=O)N(C)Cc2c[nH]c[nH+]2)C[NH2+]1 ZINC000627209529 368882054 /nfs/dbraw/zinc/88/20/54/368882054.db2.gz GFKCFWVHEKDYAF-VHSXEESVSA-N 2 2 251.334 0.692 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000627184202 368852826 /nfs/dbraw/zinc/85/28/26/368852826.db2.gz TXBLMMNBWMNWOE-XDQVBPFNSA-N 2 2 296.415 0.086 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000627184202 368852832 /nfs/dbraw/zinc/85/28/32/368852832.db2.gz TXBLMMNBWMNWOE-XDQVBPFNSA-N 2 2 296.415 0.086 20 0 CCADLP CC(C)[C@@H](C(=O)N1CCc2[nH]c[nH+]c2C1)[NH+](C)C ZINC000627366975 368968420 /nfs/dbraw/zinc/96/84/20/368968420.db2.gz HEGOKILFIQXLOF-LBPRGKRZSA-N 2 2 250.346 0.881 20 0 CCADLP CC(C)[C@@H](C(=O)N1CCc2[nH+]c[nH]c2C1)[NH+](C)C ZINC000627366975 368968423 /nfs/dbraw/zinc/96/84/23/368968423.db2.gz HEGOKILFIQXLOF-LBPRGKRZSA-N 2 2 250.346 0.881 20 0 CCADLP CC[C@@H](C(=O)NC1CC([NH+]2CCOCC2)C1)[NH+](C)C ZINC000627936076 369140323 /nfs/dbraw/zinc/14/03/23/369140323.db2.gz KCNZOOFDQIXBGD-BPCQOVAHSA-N 2 2 269.389 0.306 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000628061242 369173144 /nfs/dbraw/zinc/17/31/44/369173144.db2.gz GALRWJZDOPWFPZ-CHWSQXEVSA-N 2 2 280.372 0.417 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000628061242 369173150 /nfs/dbraw/zinc/17/31/50/369173150.db2.gz GALRWJZDOPWFPZ-CHWSQXEVSA-N 2 2 280.372 0.417 20 0 CCADLP C[NH+](C)C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CCO1 ZINC000330751233 203189939 /nfs/dbraw/zinc/18/99/39/203189939.db2.gz ZCMCTWUYLLJEPF-LLVKDONJSA-N 2 2 266.345 0.131 20 0 CCADLP COC(=O)[C@](C)(O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000330823174 203279774 /nfs/dbraw/zinc/27/97/74/203279774.db2.gz GQPIIFSYZCCCKB-GXFFZTMASA-N 2 2 267.329 0.513 20 0 CCADLP COC(=O)[C@](C)(O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000330823174 203279776 /nfs/dbraw/zinc/27/97/76/203279776.db2.gz GQPIIFSYZCCCKB-GXFFZTMASA-N 2 2 267.329 0.513 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628916321 369453764 /nfs/dbraw/zinc/45/37/64/369453764.db2.gz XQTGBSDYTSYNJW-LLVKDONJSA-N 2 2 278.356 0.208 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628916321 369453767 /nfs/dbraw/zinc/45/37/67/369453767.db2.gz XQTGBSDYTSYNJW-LLVKDONJSA-N 2 2 278.356 0.208 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000567280273 291472487 /nfs/dbraw/zinc/47/24/87/291472487.db2.gz VQLZDIKXYOQWPZ-CQSZACIVSA-N 2 2 264.373 0.174 20 0 CCADLP NC(=O)C1=NO[C@@H](C[NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000276446657 193334393 /nfs/dbraw/zinc/33/43/93/193334393.db2.gz JJKBQVFEJYMFCQ-SNVBAGLBSA-N 2 2 273.296 0.054 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)CC[C@H]1C(F)(F)F ZINC000629561822 369709941 /nfs/dbraw/zinc/70/99/41/369709941.db2.gz JSOCFCOLAOCKMR-IWSPIJDZSA-N 2 2 265.279 0.334 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCNC2=O)CC[C@H]1C(F)(F)F ZINC000629561822 369709947 /nfs/dbraw/zinc/70/99/47/369709947.db2.gz JSOCFCOLAOCKMR-IWSPIJDZSA-N 2 2 265.279 0.334 20 0 CCADLP C[NH2+]CCOCC[N@H+](C)Cc1nnnn1-c1ccccc1 ZINC000629569807 369714032 /nfs/dbraw/zinc/71/40/32/369714032.db2.gz RQJYZRPPHQPIFI-UHFFFAOYSA-N 2 2 290.371 0.330 20 0 CCADLP C[NH2+]CCOCC[N@@H+](C)Cc1nnnn1-c1ccccc1 ZINC000629569807 369714038 /nfs/dbraw/zinc/71/40/38/369714038.db2.gz RQJYZRPPHQPIFI-UHFFFAOYSA-N 2 2 290.371 0.330 20 0 CCADLP C[NH2+]CCOCC[N@H+](C)Cc1csc(COC)n1 ZINC000629570788 369716324 /nfs/dbraw/zinc/71/63/24/369716324.db2.gz MICMBMWCBVCPFL-UHFFFAOYSA-N 2 2 273.402 0.957 20 0 CCADLP C[NH2+]CCOCC[N@@H+](C)Cc1csc(COC)n1 ZINC000629570788 369716328 /nfs/dbraw/zinc/71/63/28/369716328.db2.gz MICMBMWCBVCPFL-UHFFFAOYSA-N 2 2 273.402 0.957 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC000276506628 193360742 /nfs/dbraw/zinc/36/07/42/193360742.db2.gz ANCSMWCXLPXLPO-QWHCGFSZSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC000276506628 193360743 /nfs/dbraw/zinc/36/07/43/193360743.db2.gz ANCSMWCXLPXLPO-QWHCGFSZSA-N 2 2 294.399 0.266 20 0 CCADLP CC(C)[C@](C)(C[NH3+])[NH2+]CCS(=O)(=O)c1ccccn1 ZINC000629513530 369688008 /nfs/dbraw/zinc/68/80/08/369688008.db2.gz HRVGZRPHLLADRI-ZDUSSCGKSA-N 2 2 285.413 0.818 20 0 CCADLP C[NH2+]CCOCC[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000629530347 369692288 /nfs/dbraw/zinc/69/22/88/369692288.db2.gz DEAGWYKMTZJTKX-LLVKDONJSA-N 2 2 281.385 0.781 20 0 CCADLP O[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000629544239 369698920 /nfs/dbraw/zinc/69/89/20/369698920.db2.gz ILTXKZQHDINWMU-XJFOESAGSA-N 3 2 253.390 0.031 20 0 CCADLP O[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000629544239 369698923 /nfs/dbraw/zinc/69/89/23/369698923.db2.gz ILTXKZQHDINWMU-XJFOESAGSA-N 3 2 253.390 0.031 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCN(C)CC(F)F ZINC000629555887 369705677 /nfs/dbraw/zinc/70/56/77/369705677.db2.gz HTSJUAFPTVMKQX-WDEREUQCSA-N 2 2 265.348 0.540 20 0 CCADLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COC1CCOCC1 ZINC000629611716 369740204 /nfs/dbraw/zinc/74/02/04/369740204.db2.gz BSJRREZPPLJCSD-STQMWFEESA-N 2 2 272.389 0.227 20 0 CCADLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COC1CCOCC1 ZINC000629611716 369740207 /nfs/dbraw/zinc/74/02/07/369740207.db2.gz BSJRREZPPLJCSD-STQMWFEESA-N 2 2 272.389 0.227 20 0 CCADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]C2CC[NH+](CC3CC3)CC2)n1 ZINC000629652207 369747545 /nfs/dbraw/zinc/74/75/45/369747545.db2.gz CPHIZZIVYFIKTK-UHFFFAOYSA-N 3 2 291.399 0.605 20 0 CCADLP CNS(=O)(=O)C[C@@H]1CCC[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000629673941 369753370 /nfs/dbraw/zinc/75/33/70/369753370.db2.gz QUUJYQZCPUDDCN-OLZOCXBDSA-N 2 2 291.461 0.621 20 0 CCADLP CNS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000629673941 369753373 /nfs/dbraw/zinc/75/33/73/369753373.db2.gz QUUJYQZCPUDDCN-OLZOCXBDSA-N 2 2 291.461 0.621 20 0 CCADLP CC[NH+](CC)CCNC(=O)CCc1c[nH+]cn1C ZINC000276546378 193375861 /nfs/dbraw/zinc/37/58/61/193375861.db2.gz JSLPLRKTNFFFHA-UHFFFAOYSA-N 2 2 252.362 0.811 20 0 CCADLP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@@H](O)C(F)(F)F ZINC000629583939 369728607 /nfs/dbraw/zinc/72/86/07/369728607.db2.gz LUEJSVBQXLZEBH-OUAUKWLOSA-N 2 2 284.322 0.735 20 0 CCADLP CC[C@H](O)C[NH+]1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000276563465 193381662 /nfs/dbraw/zinc/38/16/62/193381662.db2.gz JKXNQFGJJTWQIS-AWEZNQCLSA-N 2 2 294.399 0.268 20 0 CCADLP CCOC[C@@H](O)C[NH2+]CCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000629594438 369734215 /nfs/dbraw/zinc/73/42/15/369734215.db2.gz SGAGNBZSFQNMLF-ZDUSSCGKSA-N 2 2 296.415 0.729 20 0 CCADLP C[C@@H](CC(=O)NCC[N@@H+]1CC[C@H](O)C1)n1cc[nH+]c1 ZINC000629918090 369836885 /nfs/dbraw/zinc/83/68/85/369836885.db2.gz XCBZBOVVYAUQBE-RYUDHWBXSA-N 2 2 266.345 0.017 20 0 CCADLP C[C@@H](CC(=O)NCC[N@H+]1CC[C@H](O)C1)n1cc[nH+]c1 ZINC000629918090 369836890 /nfs/dbraw/zinc/83/68/90/369836890.db2.gz XCBZBOVVYAUQBE-RYUDHWBXSA-N 2 2 266.345 0.017 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NCCNc1cc[nH+]cc1)CC2 ZINC000629950608 369851252 /nfs/dbraw/zinc/85/12/52/369851252.db2.gz UAPPFXXSFVSRCP-CYBMUJFWSA-N 2 2 299.378 0.799 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C[N@H+](C)C1CCC1 ZINC000629992613 369878451 /nfs/dbraw/zinc/87/84/51/369878451.db2.gz VCCCXPOUMIZLPI-UKRRQHHQSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C[N@@H+](C)C1CCC1 ZINC000629992613 369878457 /nfs/dbraw/zinc/87/84/57/369878457.db2.gz VCCCXPOUMIZLPI-UKRRQHHQSA-N 2 2 295.427 0.792 20 0 CCADLP C[NH2+]C1(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000630001479 369885112 /nfs/dbraw/zinc/88/51/12/369885112.db2.gz AGVOGFVPFWIZPM-NSHDSACASA-N 2 2 262.357 0.704 20 0 CCADLP CC(C)(C)c1nc(NC[C@@H]2COCC[NH2+]2)cc[nH+]1 ZINC000630533738 370154474 /nfs/dbraw/zinc/15/44/74/370154474.db2.gz WVGUCQCNNHIOJG-SNVBAGLBSA-N 2 2 250.346 0.596 20 0 CCADLP CC[C@@](C)([NH3+])c1cn(CC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000630611781 370209786 /nfs/dbraw/zinc/20/97/86/370209786.db2.gz KJMGHMCFSFRICC-CQSZACIVSA-N 3 2 282.436 0.746 20 0 CCADLP CC[C@@](C)([NH3+])c1cn(CC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000630611781 370209788 /nfs/dbraw/zinc/20/97/88/370209788.db2.gz KJMGHMCFSFRICC-CQSZACIVSA-N 3 2 282.436 0.746 20 0 CCADLP Cc1nc(NCC[N@H+]2CCC[C@@H](C)C2)nc(N)[nH+]1 ZINC000631060932 370371387 /nfs/dbraw/zinc/37/13/87/370371387.db2.gz ANIHKXIFJCXTHU-SECBINFHSA-N 2 2 250.350 0.158 20 0 CCADLP Cc1nc(NCC[N@@H+]2CCC[C@@H](C)C2)nc(N)[nH+]1 ZINC000631060932 370371390 /nfs/dbraw/zinc/37/13/90/370371390.db2.gz ANIHKXIFJCXTHU-SECBINFHSA-N 2 2 250.350 0.158 20 0 CCADLP CC[C@@H]1CCCC[N@@H+]1CCNc1nc(C)[nH+]c(N)n1 ZINC000631118066 370389803 /nfs/dbraw/zinc/38/98/03/370389803.db2.gz UJGQYSRFVHCICA-LLVKDONJSA-N 2 2 264.377 0.691 20 0 CCADLP CC[C@@H]1CCCC[N@H+]1CCNc1nc(C)[nH+]c(N)n1 ZINC000631118066 370389808 /nfs/dbraw/zinc/38/98/08/370389808.db2.gz UJGQYSRFVHCICA-LLVKDONJSA-N 2 2 264.377 0.691 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC[N@@H+]1C ZINC000630934629 370329437 /nfs/dbraw/zinc/32/94/37/370329437.db2.gz AIXWUWZESZMGNJ-LJISPDSOSA-N 2 2 297.443 0.942 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CC[N@H+]1C ZINC000630934629 370329439 /nfs/dbraw/zinc/32/94/39/370329439.db2.gz AIXWUWZESZMGNJ-LJISPDSOSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@H]([NH2+][C@H]1CC(=O)N2CCCC[C@H]12)[C@@H]1CCC[NH2+]1 ZINC000423106477 299414428 /nfs/dbraw/zinc/41/44/28/299414428.db2.gz CYJMYADBYRPHCT-ZDEQEGDKSA-N 2 2 251.374 0.870 20 0 CCADLP Cc1[nH+]ccn1CCCN(C)c1nc(C)[nH+]c(N)n1 ZINC000631175729 370412302 /nfs/dbraw/zinc/41/23/02/370412302.db2.gz VKAVEOIJJBDTFI-UHFFFAOYSA-N 2 2 261.333 0.624 20 0 CCADLP Cc1[nH+]ccn1CCCN(C)c1nc(N)nc(C)[nH+]1 ZINC000631175729 370412305 /nfs/dbraw/zinc/41/23/05/370412305.db2.gz VKAVEOIJJBDTFI-UHFFFAOYSA-N 2 2 261.333 0.624 20 0 CCADLP Cc1conc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000631258575 370442279 /nfs/dbraw/zinc/44/22/79/370442279.db2.gz BEEKIVJKMHMWGS-LBPRGKRZSA-N 2 2 292.383 0.881 20 0 CCADLP Cc1conc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000631258575 370442281 /nfs/dbraw/zinc/44/22/81/370442281.db2.gz BEEKIVJKMHMWGS-LBPRGKRZSA-N 2 2 292.383 0.881 20 0 CCADLP Cc1nc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)nc(N)[nH+]1 ZINC000631282685 370454730 /nfs/dbraw/zinc/45/47/30/370454730.db2.gz WYWDUHWFLUCKBT-JTQLQIEISA-N 2 2 276.388 0.903 20 0 CCADLP Cc1nc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)nc(N)[nH+]1 ZINC000631282685 370454736 /nfs/dbraw/zinc/45/47/36/370454736.db2.gz WYWDUHWFLUCKBT-JTQLQIEISA-N 2 2 276.388 0.903 20 0 CCADLP Cc1nc(NC[C@@H]2CC[N@@H+]2C(C)(C)C)nc(N)[nH+]1 ZINC000631349724 370487987 /nfs/dbraw/zinc/48/79/87/370487987.db2.gz JWXABKUURHVWHG-VIFPVBQESA-N 2 2 250.350 0.299 20 0 CCADLP Cc1nc(NC[C@@H]2CC[N@H+]2C(C)(C)C)nc(N)[nH+]1 ZINC000631349724 370487990 /nfs/dbraw/zinc/48/79/90/370487990.db2.gz JWXABKUURHVWHG-VIFPVBQESA-N 2 2 250.350 0.299 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000331622475 204019983 /nfs/dbraw/zinc/01/99/83/204019983.db2.gz KXPKGWSSKBORNK-AWEZNQCLSA-N 2 2 282.388 0.298 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000331622475 204019986 /nfs/dbraw/zinc/01/99/86/204019986.db2.gz KXPKGWSSKBORNK-AWEZNQCLSA-N 2 2 282.388 0.298 20 0 CCADLP O=C(Nc1cc[nH+]cc1O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000567802117 291515478 /nfs/dbraw/zinc/51/54/78/291515478.db2.gz YZLJXUFICTVPQN-LLVKDONJSA-N 2 2 287.323 0.582 20 0 CCADLP CN(CCC[NH+]1CCCC1)C(=O)C1([NH+]2CCOCC2)CC1 ZINC000632845865 371297061 /nfs/dbraw/zinc/29/70/61/371297061.db2.gz UYMQXQYSCLFDTH-UHFFFAOYSA-N 2 2 295.427 0.796 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N1CCC[NH2+]CC1)[NH+]1CCOCC1 ZINC000332004366 204382358 /nfs/dbraw/zinc/38/23/58/204382358.db2.gz OEZBXKMOLKUAPY-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP C[NH+](C)C[C@@H](CO)NC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633072267 371382712 /nfs/dbraw/zinc/38/27/12/371382712.db2.gz NTEQKVPSIIVIPM-ZDUSSCGKSA-N 2 2 288.351 0.729 20 0 CCADLP Cc1nc(N2CCN(C(=O)C(C)(C)[NH3+])CC2)cc[nH+]1 ZINC000567825114 291520858 /nfs/dbraw/zinc/52/08/58/291520858.db2.gz VYCITVHLONPURI-UHFFFAOYSA-N 2 2 263.345 0.171 20 0 CCADLP C[NH+](C)CC(=O)Nc1ccc(-c2nnc(C[NH3+])[nH]2)cc1 ZINC000567835945 291523312 /nfs/dbraw/zinc/52/33/12/291523312.db2.gz RFCZGAHJFAKBSZ-UHFFFAOYSA-N 2 2 274.328 0.431 20 0 CCADLP Cc1conc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000633617332 371633872 /nfs/dbraw/zinc/63/38/72/371633872.db2.gz JYXMNMXUDHTTGG-UHFFFAOYSA-N 2 2 268.361 0.596 20 0 CCADLP Cc1conc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000633617332 371633878 /nfs/dbraw/zinc/63/38/78/371633878.db2.gz JYXMNMXUDHTTGG-UHFFFAOYSA-N 2 2 268.361 0.596 20 0 CCADLP CCOC(C)(C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000633620047 371636009 /nfs/dbraw/zinc/63/60/09/371636009.db2.gz ZKIDWPCYXTXUAO-UHFFFAOYSA-N 2 2 273.421 0.801 20 0 CCADLP CCOC(C)(C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000633620047 371636012 /nfs/dbraw/zinc/63/60/12/371636012.db2.gz ZKIDWPCYXTXUAO-UHFFFAOYSA-N 2 2 273.421 0.801 20 0 CCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C3(C)COC3)c2)CC1 ZINC000634194284 371944930 /nfs/dbraw/zinc/94/49/30/371944930.db2.gz RFQKYMLDOSLLEW-UHFFFAOYSA-N 2 2 290.367 0.808 20 0 CCADLP C[N@@H+]1CCc2ncnc(N3CC[C@H]4CC[NH2+][C@H]4C3)c2C1 ZINC000634808059 372248064 /nfs/dbraw/zinc/24/80/64/372248064.db2.gz IPIYNLLKMPYRLC-RISCZKNCSA-N 2 2 273.384 0.653 20 0 CCADLP C[N@H+]1CCc2ncnc(N3CC[C@H]4CC[NH2+][C@H]4C3)c2C1 ZINC000634808059 372248066 /nfs/dbraw/zinc/24/80/66/372248066.db2.gz IPIYNLLKMPYRLC-RISCZKNCSA-N 2 2 273.384 0.653 20 0 CCADLP Nc1[nH+]cnc(N2CC[C@@H](N3CC[NH2+]CC3)C2)c1Cl ZINC000634809738 372251997 /nfs/dbraw/zinc/25/19/97/372251997.db2.gz ZGAVJLTUPWQCNU-SECBINFHSA-N 2 2 282.779 0.196 20 0 CCADLP C[C@H](O)CNc1cc(NCCC[NH2+]C2CC2)[nH+]cn1 ZINC000634811197 372255425 /nfs/dbraw/zinc/25/54/25/372255425.db2.gz XOCPRTQRZOPCMU-JTQLQIEISA-N 2 2 265.361 0.245 20 0 CCADLP C[C@H](O)CNc1cc(NCCC[NH2+]C2CC2)nc[nH+]1 ZINC000634811197 372255432 /nfs/dbraw/zinc/25/54/32/372255432.db2.gz XOCPRTQRZOPCMU-JTQLQIEISA-N 2 2 265.361 0.245 20 0 CCADLP Cn1ncc2c1nc(N)[nH+]c2N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634813316 372257092 /nfs/dbraw/zinc/25/70/92/372257092.db2.gz GUMPVENCRDSORW-SECBINFHSA-N 2 2 289.387 0.966 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1Nc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000634813074 372257101 /nfs/dbraw/zinc/25/71/01/372257101.db2.gz YLXJITXEDKGBFR-NWDGAFQWSA-N 2 2 291.399 0.990 20 0 CCADLP C[C@H](O)CNc1cc(N2CCC[C@@H]3C[NH2+]CC[C@@H]32)nc[nH+]1 ZINC000634812957 372257248 /nfs/dbraw/zinc/25/72/48/372257248.db2.gz VKWASKNXRGXOOF-XQQFMLRXSA-N 2 2 291.399 0.848 20 0 CCADLP C[C@H](O)CNc1cc(N2CCC[C@@H]3C[NH2+]CC[C@@H]32)[nH+]cn1 ZINC000634812957 372257253 /nfs/dbraw/zinc/25/72/53/372257253.db2.gz VKWASKNXRGXOOF-XQQFMLRXSA-N 2 2 291.399 0.848 20 0 CCADLP C[C@@H](O)CNc1cc(N[C@H]2CCC[NH2+]CC2)nc[nH+]1 ZINC000634813804 372258873 /nfs/dbraw/zinc/25/88/73/372258873.db2.gz XWHNUZVEXZEPOJ-MNOVXSKESA-N 2 2 265.361 0.823 20 0 CCADLP C[C@@H](O)CNc1cc(N[C@H]2CCC[NH2+]CC2)[nH+]cn1 ZINC000634813804 372258880 /nfs/dbraw/zinc/25/88/80/372258880.db2.gz XWHNUZVEXZEPOJ-MNOVXSKESA-N 2 2 265.361 0.823 20 0 CCADLP C[C@H]1CCC[N@H+](CC[NH2+][C@@H]2CCNC(=O)CC2)C1 ZINC000634952978 372308960 /nfs/dbraw/zinc/30/89/60/372308960.db2.gz NPMSZWIPOCIKIV-STQMWFEESA-N 2 2 253.390 0.977 20 0 CCADLP C[C@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCNC(=O)CC2)C1 ZINC000634952978 372308967 /nfs/dbraw/zinc/30/89/67/372308967.db2.gz NPMSZWIPOCIKIV-STQMWFEESA-N 2 2 253.390 0.977 20 0 CCADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCCS(=O)(=O)CC1 ZINC000634957531 372312190 /nfs/dbraw/zinc/31/21/90/372312190.db2.gz PVHPCWPEQXVHCX-VXGBXAGGSA-N 2 2 262.419 0.884 20 0 CCADLP CC(C)C[C@H]([NH2+]Cc1ccon1)C(=O)NCC[NH+](C)C ZINC000634974180 372320629 /nfs/dbraw/zinc/32/06/29/372320629.db2.gz UNEHVTHFTHOEOY-ZDUSSCGKSA-N 2 2 282.388 0.857 20 0 CCADLP O=C1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)CCN1 ZINC000634982503 372321985 /nfs/dbraw/zinc/32/19/85/372321985.db2.gz NCMQILISIFGQLW-CHWSQXEVSA-N 2 2 269.389 0.092 20 0 CCADLP O=C1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)CCN1 ZINC000634982503 372321994 /nfs/dbraw/zinc/32/19/94/372321994.db2.gz NCMQILISIFGQLW-CHWSQXEVSA-N 2 2 269.389 0.092 20 0 CCADLP C[C@@H]1C[N@H+](Cc2cn(Cc3cccnc3)nn2)C[C@H]1C[NH3+] ZINC000634998500 372335355 /nfs/dbraw/zinc/33/53/55/372335355.db2.gz GKHCBRSBSYBBOU-TZMCWYRMSA-N 2 2 286.383 0.748 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2cn(Cc3cccnc3)nn2)C[C@H]1C[NH3+] ZINC000634998500 372335358 /nfs/dbraw/zinc/33/53/58/372335358.db2.gz GKHCBRSBSYBBOU-TZMCWYRMSA-N 2 2 286.383 0.748 20 0 CCADLP Cn1nnc2cc(C[NH+]3CCC([NH2+]CCO)CC3)ccc21 ZINC000635001289 372338165 /nfs/dbraw/zinc/33/81/65/372338165.db2.gz NBGYZEMYSBQUOD-UHFFFAOYSA-N 2 2 289.383 0.515 20 0 CCADLP C[C@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1)[NH+](C)C ZINC000635183056 372407144 /nfs/dbraw/zinc/40/71/44/372407144.db2.gz JOPPPKQGAMIGIY-GFCCVEGCSA-N 2 2 291.399 0.722 20 0 CCADLP CCN1CC[NH+](CCCNC(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000635278916 372443715 /nfs/dbraw/zinc/44/37/15/372443715.db2.gz NXYPDNMATDGFPI-CYBMUJFWSA-N 2 2 270.421 0.080 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@H]2CCC[N@@H+]2CCOC)[nH+]1 ZINC000635500520 372565067 /nfs/dbraw/zinc/56/50/67/372565067.db2.gz GSYIEXKQCLGHEK-CYBMUJFWSA-N 2 2 294.399 0.742 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@H]2CCC[N@H+]2CCOC)[nH+]1 ZINC000635500520 372565069 /nfs/dbraw/zinc/56/50/69/372565069.db2.gz GSYIEXKQCLGHEK-CYBMUJFWSA-N 2 2 294.399 0.742 20 0 CCADLP COCC[N@H+](C)CCNC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000635479283 372545928 /nfs/dbraw/zinc/54/59/28/372545928.db2.gz MUWCDFCNMRZMJZ-UHFFFAOYSA-N 2 2 290.367 0.951 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000635479283 372545934 /nfs/dbraw/zinc/54/59/34/372545934.db2.gz MUWCDFCNMRZMJZ-UHFFFAOYSA-N 2 2 290.367 0.951 20 0 CCADLP C[C@H](C(=O)NCc1c[nH+]c(N(C)C)n1C)[NH+](C)C ZINC000635556641 372624269 /nfs/dbraw/zinc/62/42/69/372624269.db2.gz JRLHEJGIMXJXTH-SECBINFHSA-N 2 2 253.350 0.052 20 0 CCADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635665146 372739517 /nfs/dbraw/zinc/73/95/17/372739517.db2.gz QVCBFUFOPAOZRX-YNEHKIRRSA-N 2 2 294.399 0.986 20 0 CCADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635665146 372739524 /nfs/dbraw/zinc/73/95/24/372739524.db2.gz QVCBFUFOPAOZRX-YNEHKIRRSA-N 2 2 294.399 0.986 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635667351 372744772 /nfs/dbraw/zinc/74/47/72/372744772.db2.gz ALUBPSQMYAUTSP-PRULPYPASA-N 2 2 262.357 0.970 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635667351 372744774 /nfs/dbraw/zinc/74/47/74/372744774.db2.gz ALUBPSQMYAUTSP-PRULPYPASA-N 2 2 262.357 0.970 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635667351 372744775 /nfs/dbraw/zinc/74/47/75/372744775.db2.gz ALUBPSQMYAUTSP-PRULPYPASA-N 2 2 262.357 0.970 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635667351 372744778 /nfs/dbraw/zinc/74/47/78/372744778.db2.gz ALUBPSQMYAUTSP-PRULPYPASA-N 2 2 262.357 0.970 20 0 CCADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000568050793 291549458 /nfs/dbraw/zinc/54/94/58/291549458.db2.gz GHODDPYNXISOKY-AWEZNQCLSA-N 2 2 298.818 0.827 20 0 CCADLP CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000333311557 205207384 /nfs/dbraw/zinc/20/73/84/205207384.db2.gz RWSDCIRFNOJDTH-YNEHKIRRSA-N 2 2 268.405 0.910 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000333330141 205225133 /nfs/dbraw/zinc/22/51/33/205225133.db2.gz WBGQAFRHFSXYTI-UTUOFQBUSA-N 2 2 267.373 0.106 20 0 CCADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000635821636 372956099 /nfs/dbraw/zinc/95/60/99/372956099.db2.gz YXQAQMLHCBZCKV-NWDGAFQWSA-N 2 2 262.357 0.656 20 0 CCADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000635821636 372956106 /nfs/dbraw/zinc/95/61/06/372956106.db2.gz YXQAQMLHCBZCKV-NWDGAFQWSA-N 2 2 262.357 0.656 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@@H](CO)CC[NH+](CC)CC)[nH+]1 ZINC000635887691 373056888 /nfs/dbraw/zinc/05/68/88/373056888.db2.gz KGWIBRUMHVXIEM-CYBMUJFWSA-N 2 2 296.415 0.724 20 0 CCADLP Cc1cc[nH+]cc1N1CCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000635894329 373063155 /nfs/dbraw/zinc/06/31/55/373063155.db2.gz YUHVGPQPVVIRHZ-CYBMUJFWSA-N 2 2 276.384 0.989 20 0 CCADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000635919018 373105316 /nfs/dbraw/zinc/10/53/16/373105316.db2.gz WLJKFOLRPCXEMO-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000635919018 373105321 /nfs/dbraw/zinc/10/53/21/373105321.db2.gz WLJKFOLRPCXEMO-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@H]2CC[N@@H+](CC)C2)[nH+]1 ZINC000636028888 373272354 /nfs/dbraw/zinc/27/23/54/373272354.db2.gz GMNVKZHJUHDMPR-NSHDSACASA-N 2 2 250.346 0.725 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@H]2CC[N@H+](CC)C2)[nH+]1 ZINC000636028888 373272358 /nfs/dbraw/zinc/27/23/58/373272358.db2.gz GMNVKZHJUHDMPR-NSHDSACASA-N 2 2 250.346 0.725 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636767742 373747571 /nfs/dbraw/zinc/74/75/71/373747571.db2.gz UQNYNFKWGOVQQP-QWHCGFSZSA-N 2 2 291.399 0.981 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636767742 373747572 /nfs/dbraw/zinc/74/75/72/373747572.db2.gz UQNYNFKWGOVQQP-QWHCGFSZSA-N 2 2 291.399 0.981 20 0 CCADLP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000636930528 373827361 /nfs/dbraw/zinc/82/73/61/373827361.db2.gz CTTLGTUCZLUSOB-LLVKDONJSA-N 2 2 295.387 0.215 20 0 CCADLP O=C(NCc1ccn2cc[nH+]c2c1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636935338 373831300 /nfs/dbraw/zinc/83/13/00/373831300.db2.gz WITIFTIMQBYKPG-LBPRGKRZSA-N 2 2 296.334 0.955 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2C[C@@H](CO)C2)CC1 ZINC000636986145 373856278 /nfs/dbraw/zinc/85/62/78/373856278.db2.gz HOIXBVLMYLNUOK-BETUJISGSA-N 2 2 298.431 0.083 20 0 CCADLP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H]1COCC[NH+]1CC ZINC000637415232 374143511 /nfs/dbraw/zinc/14/35/11/374143511.db2.gz NALUSLOSVLJZGT-CYBMUJFWSA-N 2 2 285.432 0.944 20 0 CCADLP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H]1COCC[NH+]1CC ZINC000637415232 374143522 /nfs/dbraw/zinc/14/35/22/374143522.db2.gz NALUSLOSVLJZGT-CYBMUJFWSA-N 2 2 285.432 0.944 20 0 CCADLP CCC[NH+](C)CC(C)(C)NC(=O)[C@H]1COCC[N@@H+]1CC ZINC000637415232 374143531 /nfs/dbraw/zinc/14/35/31/374143531.db2.gz NALUSLOSVLJZGT-CYBMUJFWSA-N 2 2 285.432 0.944 20 0 CCADLP CCC[NH+](C)CC(C)(C)NC(=O)[C@H]1COCC[N@H+]1CC ZINC000637415232 374143538 /nfs/dbraw/zinc/14/35/38/374143538.db2.gz NALUSLOSVLJZGT-CYBMUJFWSA-N 2 2 285.432 0.944 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCC[NH2+]C1CC1)CC2 ZINC000637828016 374368347 /nfs/dbraw/zinc/36/83/47/374368347.db2.gz NDQZNWXFHKSCHF-NSHDSACASA-N 2 2 262.357 0.622 20 0 CCADLP C[NH+](C)CCn1cc(C(=O)Nc2ccc(N)[nH+]c2)cn1 ZINC000637830089 374373867 /nfs/dbraw/zinc/37/38/67/374373867.db2.gz QZVBMSCGZLISFU-UHFFFAOYSA-N 2 2 274.328 0.505 20 0 CCADLP C[NH2+]CC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000637835443 374380647 /nfs/dbraw/zinc/38/06/47/374380647.db2.gz PQDYNYAQQSLOOP-UHFFFAOYSA-N 2 2 250.346 0.719 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NCC(C)(C)[NH3+])CC2 ZINC000637858310 374417403 /nfs/dbraw/zinc/41/74/03/374417403.db2.gz YTDXPZFJPVHLFS-SNVBAGLBSA-N 2 2 250.346 0.607 20 0 CCADLP Cc1nc2cccc(C(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])c2[nH]1 ZINC000637865762 374428696 /nfs/dbraw/zinc/42/86/96/374428696.db2.gz FGVVWVXVZLCUQZ-NSHDSACASA-N 2 2 287.367 0.586 20 0 CCADLP Cc1nc2cccc(C(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])c2[nH]1 ZINC000637865762 374428704 /nfs/dbraw/zinc/42/87/04/374428704.db2.gz FGVVWVXVZLCUQZ-NSHDSACASA-N 2 2 287.367 0.586 20 0 CCADLP O=C(Cc1cccc2c1CC[NH2+]C2)NCCn1cc[nH+]c1 ZINC000638052292 374597300 /nfs/dbraw/zinc/59/73/00/374597300.db2.gz ZOBLEEDECVYPTD-UHFFFAOYSA-N 2 2 284.363 0.888 20 0 CCADLP C[NH+](C)C[C@H]1CCN(CC(C)(C)[NH+]2CCOCC2)C1 ZINC000638077421 374633514 /nfs/dbraw/zinc/63/35/14/374633514.db2.gz SGSDZNMICMDTSE-CQSZACIVSA-N 2 2 269.433 0.981 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)c1cnc(C[NH3+])nc1 ZINC000638067129 374612892 /nfs/dbraw/zinc/61/28/92/374612892.db2.gz ANGSRMZPKZAOMI-UHFFFAOYSA-N 2 2 286.339 0.326 20 0 CCADLP Cc1[nH+]c2cc(NC(=O)CN3CC[NH2+]CC3)ccc2n1C ZINC000638125547 374695481 /nfs/dbraw/zinc/69/54/81/374695481.db2.gz KMMOYINGWWHKPY-UHFFFAOYSA-N 2 2 287.367 0.725 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638129198 374698657 /nfs/dbraw/zinc/69/86/57/374698657.db2.gz WEXSEIHOOUPKGI-ZDUSSCGKSA-N 3 2 280.416 0.176 20 0 CCADLP C[C@]1(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C[NH2+]CCO1 ZINC000638116520 374682356 /nfs/dbraw/zinc/68/23/56/374682356.db2.gz DZJABPCOTUKDGX-CQSZACIVSA-N 2 2 278.356 0.494 20 0 CCADLP C[C@]1(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C[NH2+]CCO1 ZINC000638116520 374682360 /nfs/dbraw/zinc/68/23/60/374682360.db2.gz DZJABPCOTUKDGX-CQSZACIVSA-N 2 2 278.356 0.494 20 0 CCADLP Cc1cn2ccc(C(=O)N3CCO[C@H](C[NH3+])C3)cc2[nH+]1 ZINC000638175325 374760164 /nfs/dbraw/zinc/76/01/64/374760164.db2.gz YTKKDGPCINNZOP-GFCCVEGCSA-N 2 2 274.324 0.442 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@H]2C[NH2+]CC[C@H]2C)[nH+]1 ZINC000638176565 374761784 /nfs/dbraw/zinc/76/17/84/374761784.db2.gz DGGFJNPWGCIRGK-KOLCDFICSA-N 2 2 250.346 0.629 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC1(C)CC[NH2+]CC1 ZINC000638161808 374737544 /nfs/dbraw/zinc/73/75/44/374737544.db2.gz JLEMMXLAXHYOIP-UHFFFAOYSA-N 2 2 250.346 0.767 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)NCC1(C)CC[NH2+]CC1 ZINC000638161808 374737553 /nfs/dbraw/zinc/73/75/53/374737553.db2.gz JLEMMXLAXHYOIP-UHFFFAOYSA-N 2 2 250.346 0.767 20 0 CCADLP Cn1nc2c(c1C[NH+]1C[C@H]3C[NH2+]C[C@@H]3C1)CCCC2 ZINC000638186385 374771022 /nfs/dbraw/zinc/77/10/22/374771022.db2.gz SCHFVRGEULWTMN-VXGBXAGGSA-N 2 2 260.385 0.950 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000638197407 374778367 /nfs/dbraw/zinc/77/83/67/374778367.db2.gz JLHUHWPBWFNANA-WRWGMCAJSA-N 2 2 260.341 0.866 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000638197407 374778371 /nfs/dbraw/zinc/77/83/71/374778371.db2.gz JLHUHWPBWFNANA-WRWGMCAJSA-N 2 2 260.341 0.866 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[C@@H]3CC[NH2+][C@H]3C1)CC2 ZINC000638200335 374782001 /nfs/dbraw/zinc/78/20/01/374782001.db2.gz XQBFUZFDZVBORB-MJBXVCDLSA-N 2 2 288.395 0.964 20 0 CCADLP CO[C@]1(C[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)CCOC1 ZINC000638279505 374885622 /nfs/dbraw/zinc/88/56/22/374885622.db2.gz RTTPEFKYUPCALA-GJZGRUSLSA-N 2 2 286.416 0.738 20 0 CCADLP CO[C@]1(C[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)CCOC1 ZINC000638279505 374885626 /nfs/dbraw/zinc/88/56/26/374885626.db2.gz RTTPEFKYUPCALA-GJZGRUSLSA-N 2 2 286.416 0.738 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[NH2+]C[C@](C)(F)C1)CC2 ZINC000638253640 374848780 /nfs/dbraw/zinc/84/87/80/374848780.db2.gz PTXBBFFURBZODG-DOMZBBRYSA-N 2 2 294.374 0.914 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[NH2+]C[C@](C)(F)C2)[nH+]1 ZINC000638254642 374850893 /nfs/dbraw/zinc/85/08/93/374850893.db2.gz VAXVZYRSKNWHCV-ZDUSSCGKSA-N 2 2 268.336 0.675 20 0 CCADLP C[C@@H](C(=O)Nc1ccc2c(c1)C[NH2+]C2)N1CC[NH2+]CC1=O ZINC000638259720 374856768 /nfs/dbraw/zinc/85/67/68/374856768.db2.gz LHSPYECOSAWKMV-JTQLQIEISA-N 2 2 288.351 0.049 20 0 CCADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]([NH3+])CN(C)Cc1ccccc1 ZINC000638335348 374936561 /nfs/dbraw/zinc/93/65/61/374936561.db2.gz MPRCYROTNCILNG-QEJZJMRPSA-N 2 2 290.411 0.394 20 0 CCADLP Cc1cn2ccc(C(=O)N=c3[nH]n(C)c(C)c3C[NH3+])cc2[nH+]1 ZINC000638399990 374995426 /nfs/dbraw/zinc/99/54/26/374995426.db2.gz MNKHHFBVRKWWBP-UHFFFAOYSA-N 2 2 298.350 0.818 20 0 CCADLP CC(C)C[C@@H](C(=O)N1CCOC2(C[NH2+]C2)C1)n1cc[nH+]c1 ZINC000638440019 375042116 /nfs/dbraw/zinc/04/21/16/375042116.db2.gz MQTGXULUTABKJW-ZDUSSCGKSA-N 2 2 292.383 0.671 20 0 CCADLP C[C@H](NC(=O)[C@]1(C[NH3+])CCCOC1)c1[nH+]ccn1C ZINC000638428896 375025726 /nfs/dbraw/zinc/02/57/26/375025726.db2.gz DGGAHPMWHOGONY-GWCFXTLKSA-N 2 2 266.345 0.353 20 0 CCADLP Cc1cc(NCCNC(=O)[C@H](C)[C@H](C)[NH3+])nc(C(C)C)[nH+]1 ZINC000638584289 375164932 /nfs/dbraw/zinc/16/49/32/375164932.db2.gz SOHHQWGVAXMRHX-NEPJUHHUSA-N 2 2 293.415 0.842 20 0 CCADLP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638608448 375189665 /nfs/dbraw/zinc/18/96/65/375189665.db2.gz AYVUFUBMOQNSDQ-VXGBXAGGSA-N 2 2 271.405 0.457 20 0 CCADLP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638608448 375189671 /nfs/dbraw/zinc/18/96/71/375189671.db2.gz AYVUFUBMOQNSDQ-VXGBXAGGSA-N 2 2 271.405 0.457 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccc2c1C[NH2+]C2 ZINC000638608865 375190427 /nfs/dbraw/zinc/19/04/27/375190427.db2.gz CPNKGFABOKBVCC-LBPRGKRZSA-N 2 2 275.352 0.350 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)c1cccc2c1C[NH2+]C2 ZINC000638608865 375190433 /nfs/dbraw/zinc/19/04/33/375190433.db2.gz CPNKGFABOKBVCC-LBPRGKRZSA-N 2 2 275.352 0.350 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638608839 375190498 /nfs/dbraw/zinc/19/04/98/375190498.db2.gz CDPIDVNQGZESSQ-LLVKDONJSA-N 2 2 257.378 0.198 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638608839 375190504 /nfs/dbraw/zinc/19/05/04/375190504.db2.gz CDPIDVNQGZESSQ-LLVKDONJSA-N 2 2 257.378 0.198 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638609081 375190798 /nfs/dbraw/zinc/19/07/98/375190798.db2.gz DQMGKJAOAWEHPD-GSPSYOTPSA-N 2 2 281.400 0.354 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638609081 375190801 /nfs/dbraw/zinc/19/08/01/375190801.db2.gz DQMGKJAOAWEHPD-GSPSYOTPSA-N 2 2 281.400 0.354 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000638611669 375192156 /nfs/dbraw/zinc/19/21/56/375192156.db2.gz PKGNQHSCMIOTGI-OBJOEFQTSA-N 2 2 269.389 0.341 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000638611669 375192161 /nfs/dbraw/zinc/19/21/61/375192161.db2.gz PKGNQHSCMIOTGI-OBJOEFQTSA-N 2 2 269.389 0.341 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000638612613 375196306 /nfs/dbraw/zinc/19/63/06/375196306.db2.gz VUMGZDVPRGUTHN-UONOGXRCSA-N 2 2 277.368 0.003 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000638612613 375196312 /nfs/dbraw/zinc/19/63/12/375196312.db2.gz VUMGZDVPRGUTHN-UONOGXRCSA-N 2 2 277.368 0.003 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C[C@@H]([NH3+])Cc1ccccc1 ZINC000638612991 375196628 /nfs/dbraw/zinc/19/66/28/375196628.db2.gz ZKWVKVXKHNQFTO-LSDHHAIUSA-N 2 2 291.395 0.393 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)C[C@@H]([NH3+])Cc1ccccc1 ZINC000638612991 375196636 /nfs/dbraw/zinc/19/66/36/375196636.db2.gz ZKWVKVXKHNQFTO-LSDHHAIUSA-N 2 2 291.395 0.393 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000638612638 375197124 /nfs/dbraw/zinc/19/71/24/375197124.db2.gz WJPNTHGSDBPOBQ-QWHCGFSZSA-N 2 2 269.389 0.213 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000638612638 375197126 /nfs/dbraw/zinc/19/71/26/375197126.db2.gz WJPNTHGSDBPOBQ-QWHCGFSZSA-N 2 2 269.389 0.213 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)N(C)CCOCC[NH3+])ccn12 ZINC000638671025 375273898 /nfs/dbraw/zinc/27/38/98/375273898.db2.gz SSZFISIKYVOCMR-UHFFFAOYSA-N 2 2 276.340 0.690 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000638772494 375348498 /nfs/dbraw/zinc/34/84/98/375348498.db2.gz BFLDVCKDURHGDM-CMPLNLGQSA-N 2 2 262.357 0.629 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cccc(F)c1N ZINC000638772576 375349088 /nfs/dbraw/zinc/34/90/88/375349088.db2.gz VMPORMHDLJQBDU-ZDUSSCGKSA-N 2 2 255.337 0.810 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCNC(=O)C1 ZINC000638781056 375353457 /nfs/dbraw/zinc/35/34/57/375353457.db2.gz RHTPJRAPERRYJM-NQBHXWOUSA-N 2 2 251.374 0.727 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCNC(=O)C1 ZINC000638781056 375353462 /nfs/dbraw/zinc/35/34/62/375353462.db2.gz RHTPJRAPERRYJM-NQBHXWOUSA-N 2 2 251.374 0.727 20 0 CCADLP Cc1ncc([C@@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C)s1 ZINC000638971376 375489594 /nfs/dbraw/zinc/48/95/94/375489594.db2.gz AMZXNBRWCKYDLQ-PSASIEDQSA-N 2 2 270.402 0.908 20 0 CCADLP C[C@H](C(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21)[NH+]1CCN(C)CC1 ZINC000639023708 375529253 /nfs/dbraw/zinc/52/92/53/375529253.db2.gz LRTZFDDNRZRRJA-ILXRZTDVSA-N 2 2 294.443 0.223 20 0 CCADLP O=C(C[NH2+]Cc1cnccn1)NCC[NH+]1CCCCCC1 ZINC000656629903 412836521 /nfs/dbraw/zinc/83/65/21/412836521.db2.gz WQAAFHORVQRBCW-UHFFFAOYSA-N 2 2 291.399 0.558 20 0 CCADLP CCO[C@@H]1C[C@H]([NH2+]CC[N@H+](CC)CCO)[C@]12CCCO2 ZINC000639053657 375549311 /nfs/dbraw/zinc/54/93/11/375549311.db2.gz LOGISBGIUBUDKK-RRFJBIMHSA-N 2 2 286.416 0.617 20 0 CCADLP CCO[C@@H]1C[C@H]([NH2+]CC[N@@H+](CC)CCO)[C@]12CCCO2 ZINC000639053657 375549315 /nfs/dbraw/zinc/54/93/15/375549315.db2.gz LOGISBGIUBUDKK-RRFJBIMHSA-N 2 2 286.416 0.617 20 0 CCADLP O=C1C[C@H]([NH2+]C[C@H]2CCCC[N@H+]2CCO)CCCN1 ZINC000639219371 375642980 /nfs/dbraw/zinc/64/29/80/375642980.db2.gz QHZWIQXJINTPHU-CHWSQXEVSA-N 2 2 269.389 0.092 20 0 CCADLP O=C1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2CCO)CCCN1 ZINC000639219371 375642987 /nfs/dbraw/zinc/64/29/87/375642987.db2.gz QHZWIQXJINTPHU-CHWSQXEVSA-N 2 2 269.389 0.092 20 0 CCADLP O=C1C[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2CCO)CCCN1 ZINC000639219373 375643635 /nfs/dbraw/zinc/64/36/35/375643635.db2.gz QHZWIQXJINTPHU-OLZOCXBDSA-N 2 2 269.389 0.092 20 0 CCADLP O=C1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)CCCN1 ZINC000639219373 375643640 /nfs/dbraw/zinc/64/36/40/375643640.db2.gz QHZWIQXJINTPHU-OLZOCXBDSA-N 2 2 269.389 0.092 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(CCCO)C2)CC[N@@H+]1C ZINC000639220316 375645036 /nfs/dbraw/zinc/64/50/36/375645036.db2.gz XYCSREBMBVZEFA-KFWWJZLASA-N 2 2 269.433 0.906 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(CCCO)C2)CC[N@H+]1C ZINC000639220316 375645039 /nfs/dbraw/zinc/64/50/39/375645039.db2.gz XYCSREBMBVZEFA-KFWWJZLASA-N 2 2 269.433 0.906 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000639642862 375882886 /nfs/dbraw/zinc/88/28/86/375882886.db2.gz WJOJNBKRYACIJD-KGLIPLIRSA-N 2 2 265.357 0.842 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000639642862 375882892 /nfs/dbraw/zinc/88/28/92/375882892.db2.gz WJOJNBKRYACIJD-KGLIPLIRSA-N 2 2 265.357 0.842 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000639733388 375960974 /nfs/dbraw/zinc/96/09/74/375960974.db2.gz OBKASFSHHLTVSY-UHFFFAOYSA-N 2 2 261.333 0.132 20 0 CCADLP CCN1OC[C@@H]([N@@H+]2CCCN(c3cc[nH+]cc3)CC2)C1=O ZINC000639682887 375914445 /nfs/dbraw/zinc/91/44/45/375914445.db2.gz CMRPGFPFJZDWMI-CQSZACIVSA-N 2 2 290.367 0.756 20 0 CCADLP CCN1OC[C@@H]([N@H+]2CCCN(c3cc[nH+]cc3)CC2)C1=O ZINC000639682887 375914452 /nfs/dbraw/zinc/91/44/52/375914452.db2.gz CMRPGFPFJZDWMI-CQSZACIVSA-N 2 2 290.367 0.756 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683938 375914606 /nfs/dbraw/zinc/91/46/06/375914606.db2.gz OYHVMKJOHUJJRI-MRXNPFEDSA-N 3 2 292.427 0.906 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683938 375914612 /nfs/dbraw/zinc/91/46/12/375914612.db2.gz OYHVMKJOHUJJRI-MRXNPFEDSA-N 3 2 292.427 0.906 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683938 375914620 /nfs/dbraw/zinc/91/46/20/375914620.db2.gz OYHVMKJOHUJJRI-MRXNPFEDSA-N 3 2 292.427 0.906 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683938 375914623 /nfs/dbraw/zinc/91/46/23/375914623.db2.gz OYHVMKJOHUJJRI-MRXNPFEDSA-N 3 2 292.427 0.906 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](Cc2ccnc(N)c2)C1 ZINC000639767159 375998306 /nfs/dbraw/zinc/99/83/06/375998306.db2.gz QCHVRSLUJHYQQM-AWEZNQCLSA-N 2 2 264.373 0.383 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](Cc2ccnc(N)c2)C1 ZINC000639767159 375998312 /nfs/dbraw/zinc/99/83/12/375998312.db2.gz QCHVRSLUJHYQQM-AWEZNQCLSA-N 2 2 264.373 0.383 20 0 CCADLP CCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767621 375998333 /nfs/dbraw/zinc/99/83/33/375998333.db2.gz VQACCTHYWMHINQ-GXTWGEPZSA-N 2 2 271.405 0.290 20 0 CCADLP CCCNC(=O)[C@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767621 375998338 /nfs/dbraw/zinc/99/83/38/375998338.db2.gz VQACCTHYWMHINQ-GXTWGEPZSA-N 2 2 271.405 0.290 20 0 CCADLP CC(C)[NH+]1CCN(CCCN2CC[N@H+](C)C[C@@H]2CO)CC1 ZINC000639873258 376108263 /nfs/dbraw/zinc/10/82/63/376108263.db2.gz XGUSCKBUZJYQBP-MRXNPFEDSA-N 2 2 298.475 0.011 20 0 CCADLP CC(C)[NH+]1CCN(CCCN2CC[N@@H+](C)C[C@@H]2CO)CC1 ZINC000639873258 376108265 /nfs/dbraw/zinc/10/82/65/376108265.db2.gz XGUSCKBUZJYQBP-MRXNPFEDSA-N 2 2 298.475 0.011 20 0 CCADLP CC1([NH+]2CCCC2)CC[NH+](CCN2CCNC2=O)CC1 ZINC000639984781 376169346 /nfs/dbraw/zinc/16/93/46/376169346.db2.gz ZBNJGDMDXLBFAR-UHFFFAOYSA-N 2 2 280.416 0.962 20 0 CCADLP CO[C@H]1C[N@H+](CCc2c[nH+]cn2C)[C@@](C)(CO)C1 ZINC000640007315 376186458 /nfs/dbraw/zinc/18/64/58/376186458.db2.gz ZWMZBKVCPBNHJL-CHWSQXEVSA-N 2 2 253.346 0.434 20 0 CCADLP CO[C@H]1C[N@@H+](CCc2c[nH+]cn2C)[C@@](C)(CO)C1 ZINC000640007315 376186462 /nfs/dbraw/zinc/18/64/62/376186462.db2.gz ZWMZBKVCPBNHJL-CHWSQXEVSA-N 2 2 253.346 0.434 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCCn2nccc21 ZINC000640219315 376284797 /nfs/dbraw/zinc/28/47/97/376284797.db2.gz DHRQJHMLOSHOFJ-NEPJUHHUSA-N 2 2 252.362 0.620 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCCn2nccc21 ZINC000640219315 376284804 /nfs/dbraw/zinc/28/48/04/376284804.db2.gz DHRQJHMLOSHOFJ-NEPJUHHUSA-N 2 2 252.362 0.620 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](CO)C[C@H]1C ZINC000640225622 376288471 /nfs/dbraw/zinc/28/84/71/376288471.db2.gz MQNBTFGMJPMCMY-RDBSUJKOSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](CO)C[C@H]1C ZINC000640225622 376288477 /nfs/dbraw/zinc/28/84/77/376288477.db2.gz MQNBTFGMJPMCMY-RDBSUJKOSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](CO)C[C@H]1C ZINC000640225622 376288481 /nfs/dbraw/zinc/28/84/81/376288481.db2.gz MQNBTFGMJPMCMY-RDBSUJKOSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](CO)C[C@H]1C ZINC000640225622 376288483 /nfs/dbraw/zinc/28/84/83/376288483.db2.gz MQNBTFGMJPMCMY-RDBSUJKOSA-N 2 2 274.405 0.018 20 0 CCADLP CC(C)[C@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)c1[nH]cc[nH+]1 ZINC000640723603 376511982 /nfs/dbraw/zinc/51/19/82/376511982.db2.gz QSWDVGDESVRKRC-OLZOCXBDSA-N 2 2 291.399 0.613 20 0 CCADLP CC(C)[C@H](NC(=O)[C@H]1C[N@H+]2CCN1CCC2)c1[nH]cc[nH+]1 ZINC000640723603 376511991 /nfs/dbraw/zinc/51/19/91/376511991.db2.gz QSWDVGDESVRKRC-OLZOCXBDSA-N 2 2 291.399 0.613 20 0 CCADLP Cc1ccc(Cn2cc(CN3CC[NH2+]CC3)nn2)c(C)[nH+]1 ZINC000641095884 376776132 /nfs/dbraw/zinc/77/61/32/376776132.db2.gz OODSRIDVKWRASM-UHFFFAOYSA-N 2 2 286.383 0.743 20 0 CCADLP COCC[N@H+](C)Cc1cn(CCCc2c[nH+]cn2C)nn1 ZINC000641177022 376846652 /nfs/dbraw/zinc/84/66/52/376846652.db2.gz AECJPOGPPNWHMH-UHFFFAOYSA-N 2 2 292.387 0.723 20 0 CCADLP COCC[N@@H+](C)Cc1cn(CCCc2c[nH+]cn2C)nn1 ZINC000641177022 376846657 /nfs/dbraw/zinc/84/66/57/376846657.db2.gz AECJPOGPPNWHMH-UHFFFAOYSA-N 2 2 292.387 0.723 20 0 CCADLP CC[NH+](CC)C[C@H](C)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641444790 377125967 /nfs/dbraw/zinc/12/59/67/377125967.db2.gz USPFLXHZRDNMAA-LBPRGKRZSA-N 2 2 288.417 0.533 20 0 CCADLP C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)CCn3cc[nH+]c3)[C@H]2C1 ZINC000641415279 377091809 /nfs/dbraw/zinc/09/18/09/377091809.db2.gz PWAKWSUHTDMQEK-STQMWFEESA-N 2 2 298.412 0.239 20 0 CCADLP C[N@H+]1CC[C@H]2CCN(S(=O)(=O)CCn3cc[nH+]c3)[C@H]2C1 ZINC000641415279 377091820 /nfs/dbraw/zinc/09/18/20/377091820.db2.gz PWAKWSUHTDMQEK-STQMWFEESA-N 2 2 298.412 0.239 20 0 CCADLP CCc1cc(N2CC3(C2)CC(=O)NCC[NH2+]3)nc(C)[nH+]1 ZINC000641680936 377386381 /nfs/dbraw/zinc/38/63/81/377386381.db2.gz DFZBFQYJPNJAHQ-UHFFFAOYSA-N 2 2 275.356 0.016 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1ccncc1N ZINC000641769820 377453158 /nfs/dbraw/zinc/45/31/58/377453158.db2.gz DXBGJPRDESOFSS-CYBMUJFWSA-N 2 2 266.389 0.846 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)NCc1[nH+]ccn1C ZINC000641773209 377456137 /nfs/dbraw/zinc/45/61/37/377456137.db2.gz WKEUDNJSDDPETE-GFCCVEGCSA-N 2 2 254.378 0.603 20 0 CCADLP C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641788361 377464108 /nfs/dbraw/zinc/46/41/08/377464108.db2.gz YYIISAGLJWZSPS-ARFHVFGLSA-N 2 2 297.443 0.550 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000641800004 377468977 /nfs/dbraw/zinc/46/89/77/377468977.db2.gz VKYLHOUNQZSKCB-ZDUSSCGKSA-N 3 2 278.400 0.650 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000641800004 377468979 /nfs/dbraw/zinc/46/89/79/377468979.db2.gz VKYLHOUNQZSKCB-ZDUSSCGKSA-N 3 2 278.400 0.650 20 0 CCADLP COCC[NH2+]C1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000641799470 377469082 /nfs/dbraw/zinc/46/90/82/377469082.db2.gz OFYIHSSWJDXVOR-UHFFFAOYSA-N 3 2 266.389 0.663 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000492765525 249084355 /nfs/dbraw/zinc/08/43/55/249084355.db2.gz LXHJDCDJSXXLKF-JRBALWBOSA-N 2 2 271.324 0.998 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000515069072 249119537 /nfs/dbraw/zinc/11/95/37/249119537.db2.gz SEDZWPOIEAEGIC-JTQLQIEISA-N 2 2 266.332 0.391 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000515069072 249119539 /nfs/dbraw/zinc/11/95/39/249119539.db2.gz SEDZWPOIEAEGIC-JTQLQIEISA-N 2 2 266.332 0.391 20 0 CCADLP Cc1[nH+]cc(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)n1C ZINC000515171086 249122693 /nfs/dbraw/zinc/12/26/93/249122693.db2.gz GDNNUMYWCBJHOH-GFCCVEGCSA-N 3 2 265.405 0.454 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCCC1=CC[NH2+]CC1 ZINC000514590289 249091715 /nfs/dbraw/zinc/09/17/15/249091715.db2.gz YNPDZLCGTVCMSY-CYBMUJFWSA-N 2 2 296.415 0.316 20 0 CCADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)NC1C[NH2+]C1 ZINC000514848827 249107440 /nfs/dbraw/zinc/10/74/40/249107440.db2.gz TZODEDDWSDLVAG-UHFFFAOYSA-N 2 2 299.378 0.745 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@]1(C)C(N)=O ZINC000514870495 249110048 /nfs/dbraw/zinc/11/00/48/249110048.db2.gz LHEJDIWCIYCJEI-WCQYABFASA-N 2 2 257.378 0.029 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@]1(C)C(N)=O ZINC000514870495 249110050 /nfs/dbraw/zinc/11/00/50/249110050.db2.gz LHEJDIWCIYCJEI-WCQYABFASA-N 2 2 257.378 0.029 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000514870495 249110053 /nfs/dbraw/zinc/11/00/53/249110053.db2.gz LHEJDIWCIYCJEI-WCQYABFASA-N 2 2 257.378 0.029 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@]1(C)C(N)=O ZINC000514870495 249110055 /nfs/dbraw/zinc/11/00/55/249110055.db2.gz LHEJDIWCIYCJEI-WCQYABFASA-N 2 2 257.378 0.029 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCc2ccncc2)C[C@@H](C)O1 ZINC000516174705 249153681 /nfs/dbraw/zinc/15/36/81/249153681.db2.gz PLSBLWKJIMKPNR-FMKPAKJESA-N 2 2 293.411 0.684 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccccn1 ZINC000516292950 249159979 /nfs/dbraw/zinc/15/99/79/249159979.db2.gz OMGITXVQBNJZBY-NEPJUHHUSA-N 2 2 262.357 0.286 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccccn1 ZINC000516292950 249159980 /nfs/dbraw/zinc/15/99/80/249159980.db2.gz OMGITXVQBNJZBY-NEPJUHHUSA-N 2 2 262.357 0.286 20 0 CCADLP CCOCC[C@H](O)C[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000515415125 249133759 /nfs/dbraw/zinc/13/37/59/249133759.db2.gz QGWAASXKTOWRAT-KBPBESRZSA-N 2 2 274.405 0.332 20 0 CCADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]CCC(=O)NC(N)=O ZINC000515415204 249134040 /nfs/dbraw/zinc/13/40/40/249134040.db2.gz NXMVBKPVKZQNCU-JTQLQIEISA-N 2 2 270.377 0.281 20 0 CCADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]CCC(=O)NC(N)=O ZINC000515415204 249134043 /nfs/dbraw/zinc/13/40/43/249134043.db2.gz NXMVBKPVKZQNCU-JTQLQIEISA-N 2 2 270.377 0.281 20 0 CCADLP Cc1nc2ccccn2c1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000515671724 249142119 /nfs/dbraw/zinc/14/21/19/249142119.db2.gz UQWYMRCDJMKYIE-OLZOCXBDSA-N 2 2 299.378 0.387 20 0 CCADLP Cc1nc2ccccn2c1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000515671724 249142121 /nfs/dbraw/zinc/14/21/21/249142121.db2.gz UQWYMRCDJMKYIE-OLZOCXBDSA-N 2 2 299.378 0.387 20 0 CCADLP C[C@@H]1C[C@@H](CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CCO1 ZINC000516916525 249188608 /nfs/dbraw/zinc/18/86/08/249188608.db2.gz OZIAVYFIDQIAKY-AGIUHOORSA-N 2 2 284.404 0.086 20 0 CCADLP C[C@@H]1C[C@@H](CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CCO1 ZINC000516916525 249188609 /nfs/dbraw/zinc/18/86/09/249188609.db2.gz OZIAVYFIDQIAKY-AGIUHOORSA-N 2 2 284.404 0.086 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1cccc(CO)n1)C1CC1 ZINC000517029842 249199304 /nfs/dbraw/zinc/19/93/04/249199304.db2.gz DFPJUJRPSNOELQ-AWEZNQCLSA-N 2 2 265.357 0.119 20 0 CCADLP C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)nn1)C[NH+](C)C ZINC000517906542 249233281 /nfs/dbraw/zinc/23/32/81/249233281.db2.gz BOCKFBBRNPPWHN-NSHDSACASA-N 2 2 288.355 0.590 20 0 CCADLP Cc1c[nH+]c(C)nc1NC[C@@H]1CCC[N@@H+]1CCCO ZINC000518562772 249256319 /nfs/dbraw/zinc/25/63/19/249256319.db2.gz OGNHMWSQGVBBSK-ZDUSSCGKSA-N 2 2 264.373 0.774 20 0 CCADLP Cc1c[nH+]c(C)nc1NC[C@@H]1CCC[N@H+]1CCCO ZINC000518562772 249256322 /nfs/dbraw/zinc/25/63/22/249256322.db2.gz OGNHMWSQGVBBSK-ZDUSSCGKSA-N 2 2 264.373 0.774 20 0 CCADLP CC[C@@H](C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)OC ZINC000642698817 377609130 /nfs/dbraw/zinc/60/91/30/377609130.db2.gz TUMDGUCISBADAE-KBPBESRZSA-N 2 2 283.416 0.826 20 0 CCADLP CC[C@@H](C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1)OC ZINC000642698817 377609140 /nfs/dbraw/zinc/60/91/40/377609140.db2.gz TUMDGUCISBADAE-KBPBESRZSA-N 2 2 283.416 0.826 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000643034784 377698159 /nfs/dbraw/zinc/69/81/59/377698159.db2.gz FWNYTPYADGMPBT-NWDGAFQWSA-N 2 2 277.372 0.866 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278669014 194093429 /nfs/dbraw/zinc/09/34/29/194093429.db2.gz BIVBGYNBYCYWBM-SECBINFHSA-N 2 2 274.328 0.150 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[NH+](C(C)C)CC1 ZINC000278796322 194158799 /nfs/dbraw/zinc/15/87/99/194158799.db2.gz YYGPLTLYLXYGML-UHFFFAOYSA-N 2 2 250.346 0.813 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000279231358 194343517 /nfs/dbraw/zinc/34/35/17/194343517.db2.gz QEELPCAROMVTSS-GFCCVEGCSA-N 2 2 280.372 0.257 20 0 CCADLP CN(C)c1ncc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)n1C ZINC000570711876 291776508 /nfs/dbraw/zinc/77/65/08/291776508.db2.gz OREQJJCIYSNLGN-LLVKDONJSA-N 2 2 274.372 0.787 20 0 CCADLP [NH3+][C@@H]1CCCN(C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000334938466 207324892 /nfs/dbraw/zinc/32/48/92/207324892.db2.gz RVZFVXFGJOQKRZ-GFCCVEGCSA-N 2 2 273.340 0.967 20 0 CCADLP COCC[NH+]1CCC([NH2+]Cc2nc(C)c[nH]2)CC1 ZINC000657330898 412960479 /nfs/dbraw/zinc/96/04/79/412960479.db2.gz FWEKNZFSWWMBNY-UHFFFAOYSA-N 2 2 252.362 0.919 20 0 CCADLP COCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000423425994 285060110 /nfs/dbraw/zinc/06/01/10/285060110.db2.gz DZBLAQVEEALSBO-SOUVJXGZSA-N 3 2 267.417 0.685 20 0 CCADLP COCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000423425994 285060111 /nfs/dbraw/zinc/06/01/11/285060111.db2.gz DZBLAQVEEALSBO-SOUVJXGZSA-N 3 2 267.417 0.685 20 0 CCADLP O=C(N[C@@H]1CC[NH2+]C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000335256631 208039743 /nfs/dbraw/zinc/03/97/43/208039743.db2.gz JARRKHCAJULNQH-GFCCVEGCSA-N 2 2 278.356 0.469 20 0 CCADLP COC[C@@](C)(CCO)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657388892 412979225 /nfs/dbraw/zinc/97/92/25/412979225.db2.gz HOPIAYVSYQJOAX-CYBMUJFWSA-N 2 2 253.346 0.706 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)NCC1([NH3+])CCC1 ZINC000418210553 533078076 /nfs/dbraw/zinc/07/80/76/533078076.db2.gz HBYYVYWZHUDNCD-UHFFFAOYSA-N 2 2 264.329 0.771 20 0 CCADLP O=S1(=O)CCCC[C@H]1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657432788 412989504 /nfs/dbraw/zinc/98/95/04/412989504.db2.gz UTKXEROMUFWVQP-LBPRGKRZSA-N 2 2 283.397 0.886 20 0 CCADLP C[C@H]1COCCN1CC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000249593266 285131537 /nfs/dbraw/zinc/13/15/37/285131537.db2.gz PLLQJCCCEMBZKJ-GJZGRUSLSA-N 2 2 269.433 0.981 20 0 CCADLP C[C@H]1COCCN1CC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000249593266 285131538 /nfs/dbraw/zinc/13/15/38/285131538.db2.gz PLLQJCCCEMBZKJ-GJZGRUSLSA-N 2 2 269.433 0.981 20 0 CCADLP C[C@H]1COCCN1CC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000249593266 285131539 /nfs/dbraw/zinc/13/15/39/285131539.db2.gz PLLQJCCCEMBZKJ-GJZGRUSLSA-N 2 2 269.433 0.981 20 0 CCADLP C[C@H]1COCCN1CC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000249593266 285131540 /nfs/dbraw/zinc/13/15/40/285131540.db2.gz PLLQJCCCEMBZKJ-GJZGRUSLSA-N 2 2 269.433 0.981 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCN(C)C[C@H]1CCC[NH+](C)C1 ZINC000249593266 285131541 /nfs/dbraw/zinc/13/15/41/285131541.db2.gz PLLQJCCCEMBZKJ-GJZGRUSLSA-N 2 2 269.433 0.981 20 0 CCADLP C[C@H]1COCC[N@H+]1CCN(C)C[C@H]1CCC[NH+](C)C1 ZINC000249593266 285131542 /nfs/dbraw/zinc/13/15/42/285131542.db2.gz PLLQJCCCEMBZKJ-GJZGRUSLSA-N 2 2 269.433 0.981 20 0 CCADLP C[C@H]1COCC[NH+]1CCN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000249593266 285131543 /nfs/dbraw/zinc/13/15/43/285131543.db2.gz PLLQJCCCEMBZKJ-GJZGRUSLSA-N 2 2 269.433 0.981 20 0 CCADLP C[C@H]1COCC[NH+]1CCN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000249593266 285131544 /nfs/dbraw/zinc/13/15/44/285131544.db2.gz PLLQJCCCEMBZKJ-GJZGRUSLSA-N 2 2 269.433 0.981 20 0 CCADLP Cn1cnc2cc(C[NH2+]C[C@@H]3C[NH2+]CCO3)ccc21 ZINC000258843517 285153004 /nfs/dbraw/zinc/15/30/04/285153004.db2.gz FGNVXZWSSYDBCO-LBPRGKRZSA-N 2 2 260.341 0.651 20 0 CCADLP COc1ccc(C[N@H+](C)C[C@H](O)C[NH3+])c(OC)c1 ZINC000259119415 285154319 /nfs/dbraw/zinc/15/43/19/285154319.db2.gz SYQWODSYZYRMOX-LLVKDONJSA-N 2 2 254.330 0.455 20 0 CCADLP COc1ccc(C[N@@H+](C)C[C@H](O)C[NH3+])c(OC)c1 ZINC000259119415 285154322 /nfs/dbraw/zinc/15/43/22/285154322.db2.gz SYQWODSYZYRMOX-LLVKDONJSA-N 2 2 254.330 0.455 20 0 CCADLP CO[C@H](C[NH2+]Cc1c[nH+]c2n1CCC2)[C@H]1CCOC1 ZINC000657542373 413021320 /nfs/dbraw/zinc/02/13/20/413021320.db2.gz XXOFLBTXAZQVRH-WCQYABFASA-N 2 2 265.357 0.970 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000521640565 285283532 /nfs/dbraw/zinc/28/35/32/285283532.db2.gz YEPCZMDWPUVYTA-TUVASFSCSA-N 2 2 295.427 0.968 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000521640565 285283536 /nfs/dbraw/zinc/28/35/36/285283536.db2.gz YEPCZMDWPUVYTA-TUVASFSCSA-N 2 2 295.427 0.968 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](CCO)C(C)(C)C)CC1 ZINC000183690244 388761217 /nfs/dbraw/zinc/76/12/17/388761217.db2.gz QDUHKIMGLBCXRC-LBPRGKRZSA-N 2 2 271.405 0.147 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](CCO)C(C)(C)C)CC1 ZINC000183690225 388761306 /nfs/dbraw/zinc/76/13/06/388761306.db2.gz QDUHKIMGLBCXRC-GFCCVEGCSA-N 2 2 271.405 0.147 20 0 CCADLP Cc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)no1 ZINC000284088859 388773804 /nfs/dbraw/zinc/77/38/04/388773804.db2.gz MFCYYHKFCPRXBZ-WCQYABFASA-N 2 2 280.372 0.973 20 0 CCADLP Cc1cc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)no1 ZINC000284088859 388773806 /nfs/dbraw/zinc/77/38/06/388773806.db2.gz MFCYYHKFCPRXBZ-WCQYABFASA-N 2 2 280.372 0.973 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000011953895 388777460 /nfs/dbraw/zinc/77/74/60/388777460.db2.gz UOVIHNIITVEQTC-NSHDSACASA-N 2 2 257.378 0.197 20 0 CCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccccn1 ZINC000035125184 388836763 /nfs/dbraw/zinc/83/67/63/388836763.db2.gz HNYOXQZETVIXQU-LBPRGKRZSA-N 2 2 262.357 0.506 20 0 CCADLP C[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000040832854 388856284 /nfs/dbraw/zinc/85/62/84/388856284.db2.gz CJHZAVOXIZDHSC-GFCCVEGCSA-N 2 2 277.368 0.482 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000037008721 388845356 /nfs/dbraw/zinc/84/53/56/388845356.db2.gz GMVQQBGVVRMQEG-WOPDTQHZSA-N 2 2 257.378 0.197 20 0 CCADLP CCC[C@]1(C)C(=O)NCC[N@H+]1CCn1cc[nH+]c1 ZINC000187314612 388877261 /nfs/dbraw/zinc/87/72/61/388877261.db2.gz GBSOINSZOZQOMX-CYBMUJFWSA-N 2 2 250.346 0.874 20 0 CCADLP CCC[C@]1(C)C(=O)NCC[N@@H+]1CCn1cc[nH+]c1 ZINC000187314612 388877264 /nfs/dbraw/zinc/87/72/64/388877264.db2.gz GBSOINSZOZQOMX-CYBMUJFWSA-N 2 2 250.346 0.874 20 0 CCADLP C[C@@H]1CC[C@@](CO)([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000187982546 388906605 /nfs/dbraw/zinc/90/66/05/388906605.db2.gz DXGREMTXZBVMFD-UKRRQHHQSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@@H]1CC[C@@](CO)([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000187982546 388906612 /nfs/dbraw/zinc/90/66/12/388906612.db2.gz DXGREMTXZBVMFD-UKRRQHHQSA-N 2 2 283.416 0.243 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000290824442 388913013 /nfs/dbraw/zinc/91/30/13/388913013.db2.gz XEVSTKWOHKVOAF-SNVBAGLBSA-N 2 2 251.334 0.314 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NCc2c[nH+]cn2C)C[N@@H+]1C1CC1 ZINC000290803579 388913655 /nfs/dbraw/zinc/91/36/55/388913655.db2.gz UZHDCXMZMNCRIC-MNOVXSKESA-N 2 2 277.372 0.845 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NCc2c[nH+]cn2C)C[N@H+]1C1CC1 ZINC000290803579 388913657 /nfs/dbraw/zinc/91/36/57/388913657.db2.gz UZHDCXMZMNCRIC-MNOVXSKESA-N 2 2 277.372 0.845 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1c[nH+]cn1C ZINC000291778017 388934809 /nfs/dbraw/zinc/93/48/09/388934809.db2.gz FWNHWJGDHDJWMG-LLVKDONJSA-N 2 2 267.377 0.948 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1c[nH+]cn1C ZINC000291778017 388934811 /nfs/dbraw/zinc/93/48/11/388934811.db2.gz FWNHWJGDHDJWMG-LLVKDONJSA-N 2 2 267.377 0.948 20 0 CCADLP O=C(NCc1[nH]cc[nH+]1)c1cc(C[NH+]2CCCC2)on1 ZINC000291805667 388937604 /nfs/dbraw/zinc/93/76/04/388937604.db2.gz ZCODSXUGGHNIMP-UHFFFAOYSA-N 2 2 275.312 0.924 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000292320087 388947038 /nfs/dbraw/zinc/94/70/38/388947038.db2.gz MGMAHKLMQILYNA-UHFFFAOYSA-N 2 2 279.388 0.951 20 0 CCADLP CC(C)OCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000068128672 388948371 /nfs/dbraw/zinc/94/83/71/388948371.db2.gz WHFAXBIURBJUGG-UHFFFAOYSA-N 2 2 285.432 0.896 20 0 CCADLP CC(C)OCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000068128672 388948375 /nfs/dbraw/zinc/94/83/75/388948375.db2.gz WHFAXBIURBJUGG-UHFFFAOYSA-N 2 2 285.432 0.896 20 0 CCADLP C[N@H+](CCn1cc[nH+]c1)Cc1ccccc1S(N)(=O)=O ZINC000292742495 388954145 /nfs/dbraw/zinc/95/41/45/388954145.db2.gz NHGHDYYXBIINQF-UHFFFAOYSA-N 2 2 294.380 0.663 20 0 CCADLP C[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1S(N)(=O)=O ZINC000292742495 388954149 /nfs/dbraw/zinc/95/41/49/388954149.db2.gz NHGHDYYXBIINQF-UHFFFAOYSA-N 2 2 294.380 0.663 20 0 CCADLP CC(C)[C@@H](O)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354557948 389028000 /nfs/dbraw/zinc/02/80/00/389028000.db2.gz IDPFDCFWILQENG-UKRRQHHQSA-N 2 2 297.443 0.630 20 0 CCADLP CCOCCNC(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000084695258 389004891 /nfs/dbraw/zinc/00/48/91/389004891.db2.gz NOUZXUMNPMIXEI-ZDUSSCGKSA-N 2 2 271.405 0.413 20 0 CCADLP CCOCCNC(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000084695258 389004893 /nfs/dbraw/zinc/00/48/93/389004893.db2.gz NOUZXUMNPMIXEI-ZDUSSCGKSA-N 2 2 271.405 0.413 20 0 CCADLP CCOCCNC(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000084695258 389004897 /nfs/dbraw/zinc/00/48/97/389004897.db2.gz NOUZXUMNPMIXEI-ZDUSSCGKSA-N 2 2 271.405 0.413 20 0 CCADLP CCOCCNC(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000084695258 389004901 /nfs/dbraw/zinc/00/49/01/389004901.db2.gz NOUZXUMNPMIXEI-ZDUSSCGKSA-N 2 2 271.405 0.413 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000295405528 389006534 /nfs/dbraw/zinc/00/65/34/389006534.db2.gz SFULQPKFZXWLOZ-NSHDSACASA-N 2 2 277.328 0.747 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000295405528 389006535 /nfs/dbraw/zinc/00/65/35/389006535.db2.gz SFULQPKFZXWLOZ-NSHDSACASA-N 2 2 277.328 0.747 20 0 CCADLP CC[NH+](CC)[C@@H](C)C[NH2+]C1CCN(CC(=O)OC)CC1 ZINC000355281164 389050956 /nfs/dbraw/zinc/05/09/56/389050956.db2.gz NVRANPJYINHPPQ-ZDUSSCGKSA-N 2 2 285.432 0.944 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCN(C)C(=O)[C@H]2C)CC1 ZINC000192833793 389055850 /nfs/dbraw/zinc/05/58/50/389055850.db2.gz JGVZUEKZCDRXJG-OAHLLOKOSA-N 2 2 296.459 0.565 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCN(C)C(=O)[C@H]2C)CC1 ZINC000192833793 389055853 /nfs/dbraw/zinc/05/58/53/389055853.db2.gz JGVZUEKZCDRXJG-OAHLLOKOSA-N 2 2 296.459 0.565 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCN(C)C(=O)[C@@H]2C)CC1 ZINC000192833803 389056531 /nfs/dbraw/zinc/05/65/31/389056531.db2.gz JGVZUEKZCDRXJG-HNNXBMFYSA-N 2 2 296.459 0.565 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCN(C)C(=O)[C@@H]2C)CC1 ZINC000192833803 389056534 /nfs/dbraw/zinc/05/65/34/389056534.db2.gz JGVZUEKZCDRXJG-HNNXBMFYSA-N 2 2 296.459 0.565 20 0 CCADLP C[C@H](CNC(=O)NCCn1cc[nH+]c1)C[NH+]1CCCC1 ZINC000194296579 389092964 /nfs/dbraw/zinc/09/29/64/389092964.db2.gz CFDYAAFHWHOVOQ-CYBMUJFWSA-N 2 2 279.388 0.914 20 0 CCADLP COc1ccc(OC)c(C[NH+]2CCN(C(=O)C[NH3+])CC2)c1 ZINC000098149898 389070489 /nfs/dbraw/zinc/07/04/89/389070489.db2.gz XJJOOFGMSTUCQZ-UHFFFAOYSA-N 2 2 293.367 0.307 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000104598953 389083989 /nfs/dbraw/zinc/08/39/89/389083989.db2.gz OGDWOPIIKFUPIJ-CHWSQXEVSA-N 2 2 271.405 0.552 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000104598953 389083990 /nfs/dbraw/zinc/08/39/90/389083990.db2.gz OGDWOPIIKFUPIJ-CHWSQXEVSA-N 2 2 271.405 0.552 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000338199748 389089476 /nfs/dbraw/zinc/08/94/76/389089476.db2.gz TUUBXQDGBYKRAU-YNEHKIRRSA-N 2 2 289.445 0.198 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000338199748 389089480 /nfs/dbraw/zinc/08/94/80/389089480.db2.gz TUUBXQDGBYKRAU-YNEHKIRRSA-N 2 2 289.445 0.198 20 0 CCADLP CC[C@H](C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000194749981 389103514 /nfs/dbraw/zinc/10/35/14/389103514.db2.gz SRASPKUECAMYHV-HZSPNIEDSA-N 2 2 285.432 0.894 20 0 CCADLP CC[C@H](C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000194749981 389103516 /nfs/dbraw/zinc/10/35/16/389103516.db2.gz SRASPKUECAMYHV-HZSPNIEDSA-N 2 2 285.432 0.894 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338372815 389110677 /nfs/dbraw/zinc/11/06/77/389110677.db2.gz PWHDCDUMGOKHKO-MELADBBJSA-N 2 2 254.374 0.960 20 0 CCADLP C[N@H+]1CCCC[C@H]1CC[NH+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338372815 389110678 /nfs/dbraw/zinc/11/06/78/389110678.db2.gz PWHDCDUMGOKHKO-MELADBBJSA-N 2 2 254.374 0.960 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338372815 389110681 /nfs/dbraw/zinc/11/06/81/389110681.db2.gz PWHDCDUMGOKHKO-MELADBBJSA-N 2 2 254.374 0.960 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338372815 389110682 /nfs/dbraw/zinc/11/06/82/389110682.db2.gz PWHDCDUMGOKHKO-MELADBBJSA-N 2 2 254.374 0.960 20 0 CCADLP CCOC[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000313307838 389112339 /nfs/dbraw/zinc/11/23/39/389112339.db2.gz ZSDBMDJBNCFKBV-CABCVRRESA-N 2 2 288.432 0.817 20 0 CCADLP CCOC[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000313307838 389112340 /nfs/dbraw/zinc/11/23/40/389112340.db2.gz ZSDBMDJBNCFKBV-CABCVRRESA-N 2 2 288.432 0.817 20 0 CCADLP CCOC[C@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)CCOC ZINC000313307838 389112342 /nfs/dbraw/zinc/11/23/42/389112342.db2.gz ZSDBMDJBNCFKBV-CABCVRRESA-N 2 2 288.432 0.817 20 0 CCADLP CCOC[C@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)CCOC ZINC000313307838 389112345 /nfs/dbraw/zinc/11/23/45/389112345.db2.gz ZSDBMDJBNCFKBV-CABCVRRESA-N 2 2 288.432 0.817 20 0 CCADLP COCC[NH+]1CCC(NC(=O)NCCn2cc[nH+]c2)CC1 ZINC000195138150 389116556 /nfs/dbraw/zinc/11/65/56/389116556.db2.gz DXEAXIXLYYYOCH-UHFFFAOYSA-N 2 2 295.387 0.293 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@H]1C ZINC000356745240 389128116 /nfs/dbraw/zinc/12/81/16/389128116.db2.gz PQGBDUZTVQJBOU-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@H]1C ZINC000356745240 389128120 /nfs/dbraw/zinc/12/81/20/389128120.db2.gz PQGBDUZTVQJBOU-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)CN2CCCC2=O)C1 ZINC000358013083 389141028 /nfs/dbraw/zinc/14/10/28/389141028.db2.gz IPZXWTFKPXUQKP-RWMBFGLXSA-N 2 2 253.390 0.927 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)CN2CCCC2=O)C1 ZINC000358013083 389141030 /nfs/dbraw/zinc/14/10/30/389141030.db2.gz IPZXWTFKPXUQKP-RWMBFGLXSA-N 2 2 253.390 0.927 20 0 CCADLP CC[NH2+]Cc1ccccc1NC(=O)CN1CC[NH2+]CC1=O ZINC000237044591 389180804 /nfs/dbraw/zinc/18/08/04/389180804.db2.gz VHCMQSQXTACLHP-UHFFFAOYSA-N 2 2 290.367 0.166 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000237297486 389187055 /nfs/dbraw/zinc/18/70/55/389187055.db2.gz BKKJYSIOCKRYGL-LLVKDONJSA-N 2 2 260.341 0.849 20 0 CCADLP C[C@@H](NC(=O)C1(C[NH3+])CCCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000237485300 389189990 /nfs/dbraw/zinc/18/99/90/389189990.db2.gz XQBLHCKWZIYUAK-CHWSQXEVSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H](C)[N@H+]1C ZINC000358662739 389157933 /nfs/dbraw/zinc/15/79/33/389157933.db2.gz JPEFQTUUWORBGC-XQQFMLRXSA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H](C)[N@@H+]1C ZINC000358662739 389157934 /nfs/dbraw/zinc/15/79/34/389157934.db2.gz JPEFQTUUWORBGC-XQQFMLRXSA-N 2 2 276.384 0.997 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCCN2CCCC2=O)C1 ZINC000343096062 389257994 /nfs/dbraw/zinc/25/79/94/389257994.db2.gz KPBDGUTVXGBIBI-OLZOCXBDSA-N 2 2 253.390 0.929 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCCN2CCCC2=O)C1 ZINC000343096062 389257996 /nfs/dbraw/zinc/25/79/96/389257996.db2.gz KPBDGUTVXGBIBI-OLZOCXBDSA-N 2 2 253.390 0.929 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC(=O)NC)[C@@H](C)C1 ZINC000245430813 389207503 /nfs/dbraw/zinc/20/75/03/389207503.db2.gz NSVZVWAANYHMJZ-QWRGUYRKSA-N 2 2 270.377 0.104 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC(=O)NC)[C@@H](C)C1 ZINC000245430813 389207504 /nfs/dbraw/zinc/20/75/04/389207504.db2.gz NSVZVWAANYHMJZ-QWRGUYRKSA-N 2 2 270.377 0.104 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC(=O)NC)[C@@H](C)C1 ZINC000245430813 389207507 /nfs/dbraw/zinc/20/75/07/389207507.db2.gz NSVZVWAANYHMJZ-QWRGUYRKSA-N 2 2 270.377 0.104 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC(=O)NC)[C@@H](C)C1 ZINC000245430813 389207509 /nfs/dbraw/zinc/20/75/09/389207509.db2.gz NSVZVWAANYHMJZ-QWRGUYRKSA-N 2 2 270.377 0.104 20 0 CCADLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)[C@H]1CCOC1 ZINC000361219655 389210156 /nfs/dbraw/zinc/21/01/56/389210156.db2.gz FVCUKUVYVFFEFA-IHRRRGAJSA-N 2 2 283.416 0.731 20 0 CCADLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)[C@H]1CCOC1 ZINC000361219655 389210160 /nfs/dbraw/zinc/21/01/60/389210160.db2.gz FVCUKUVYVFFEFA-IHRRRGAJSA-N 2 2 283.416 0.731 20 0 CCADLP [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000246224474 389225712 /nfs/dbraw/zinc/22/57/12/389225712.db2.gz HCXAFWYMDYLCBO-MGPQQGTHSA-N 2 2 281.400 0.437 20 0 CCADLP CC(C)C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000346536539 389331567 /nfs/dbraw/zinc/33/15/67/389331567.db2.gz JBNURQRNWVBXQG-CABCVRRESA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+]1CCOCC1 ZINC000346536539 389331568 /nfs/dbraw/zinc/33/15/68/389331568.db2.gz JBNURQRNWVBXQG-CABCVRRESA-N 2 2 297.443 0.944 20 0 CCADLP NC(=O)C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000264673023 389344201 /nfs/dbraw/zinc/34/42/01/389344201.db2.gz UTCJDITXZSPRKU-UHFFFAOYSA-N 2 2 270.336 0.842 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)NCc2ccn3cc[nH+]c3c2)[N@H+](C)C1 ZINC000332111379 389338176 /nfs/dbraw/zinc/33/81/76/389338176.db2.gz GYTDFYABIXRKMT-STQMWFEESA-N 2 2 288.351 0.670 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)NCc2ccn3cc[nH+]c3c2)[N@@H+](C)C1 ZINC000332111379 389338178 /nfs/dbraw/zinc/33/81/78/389338178.db2.gz GYTDFYABIXRKMT-STQMWFEESA-N 2 2 288.351 0.670 20 0 CCADLP C[C@]1(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)CC[NH2+]C1 ZINC000262068739 389280607 /nfs/dbraw/zinc/28/06/07/389280607.db2.gz RWCNXAMIEZPUOT-UWVGGRQHSA-N 2 2 252.280 0.985 20 0 CCADLP C[C@]1(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)CC[NH2+]C1 ZINC000262068739 389280609 /nfs/dbraw/zinc/28/06/09/389280609.db2.gz RWCNXAMIEZPUOT-UWVGGRQHSA-N 2 2 252.280 0.985 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152392642 389290360 /nfs/dbraw/zinc/29/03/60/389290360.db2.gz OETDIVBXHZTSAG-ZIAGYGMSSA-N 2 2 285.432 0.801 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152392642 389290361 /nfs/dbraw/zinc/29/03/61/389290361.db2.gz OETDIVBXHZTSAG-ZIAGYGMSSA-N 2 2 285.432 0.801 20 0 CCADLP COCCCNC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152392642 389290363 /nfs/dbraw/zinc/29/03/63/389290363.db2.gz OETDIVBXHZTSAG-ZIAGYGMSSA-N 2 2 285.432 0.801 20 0 CCADLP COCCCNC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152392642 389290365 /nfs/dbraw/zinc/29/03/65/389290365.db2.gz OETDIVBXHZTSAG-ZIAGYGMSSA-N 2 2 285.432 0.801 20 0 CCADLP CC1CC[NH+](CC(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000331034569 389290593 /nfs/dbraw/zinc/29/05/93/389290593.db2.gz LJTNBKNKVVQKON-UHFFFAOYSA-N 2 2 293.415 0.834 20 0 CCADLP CN(C)c1cc[nH+]c(NC[C@@H]2C[N@H+](C)CCO2)n1 ZINC000153370066 389298970 /nfs/dbraw/zinc/29/89/70/389298970.db2.gz SCKSESMCRWPOBR-SNVBAGLBSA-N 2 2 251.334 0.285 20 0 CCADLP CN(C)c1cc[nH+]c(NC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC000153370066 389298972 /nfs/dbraw/zinc/29/89/72/389298972.db2.gz SCKSESMCRWPOBR-SNVBAGLBSA-N 2 2 251.334 0.285 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000366376096 389299534 /nfs/dbraw/zinc/29/95/34/389299534.db2.gz PEAYBMQYZMPSFL-KBPBESRZSA-N 2 2 292.383 0.400 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000366376096 389299538 /nfs/dbraw/zinc/29/95/38/389299538.db2.gz PEAYBMQYZMPSFL-KBPBESRZSA-N 2 2 292.383 0.400 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000366376098 389299677 /nfs/dbraw/zinc/29/96/77/389299677.db2.gz PEAYBMQYZMPSFL-UONOGXRCSA-N 2 2 292.383 0.400 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000366376098 389299681 /nfs/dbraw/zinc/29/96/81/389299681.db2.gz PEAYBMQYZMPSFL-UONOGXRCSA-N 2 2 292.383 0.400 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@@H+]1CCOC(C)(C)C1)[NH+](C)C ZINC000348328204 389373589 /nfs/dbraw/zinc/37/35/89/389373589.db2.gz SLWWJNGLAPSFRH-ZDUSSCGKSA-N 2 2 285.432 0.800 20 0 CCADLP C[C@H]1C[C@H](NC(=O)N2CCn3cc[nH+]c3C2)CC[N@@H+]1C ZINC000332921649 389393209 /nfs/dbraw/zinc/39/32/09/389393209.db2.gz CLHXGLUYHGXOIY-NWDGAFQWSA-N 2 2 277.372 0.891 20 0 CCADLP C[C@H]1C[C@H](NC(=O)N2CCn3cc[nH+]c3C2)CC[N@H+]1C ZINC000332921649 389393211 /nfs/dbraw/zinc/39/32/11/389393211.db2.gz CLHXGLUYHGXOIY-NWDGAFQWSA-N 2 2 277.372 0.891 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000333007071 389401423 /nfs/dbraw/zinc/40/14/23/389401423.db2.gz RLCIPNFQVWZGPE-OLZOCXBDSA-N 2 2 291.399 0.981 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000333007071 389401426 /nfs/dbraw/zinc/40/14/26/389401426.db2.gz RLCIPNFQVWZGPE-OLZOCXBDSA-N 2 2 291.399 0.981 20 0 CCADLP CN(CCC[NH+]1CCCC1)CC[NH+]1CCOCC1 ZINC000161822489 389410794 /nfs/dbraw/zinc/41/07/94/389410794.db2.gz NBEMGEIOXVUWIK-UHFFFAOYSA-N 2 2 255.406 0.736 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000332663112 389356646 /nfs/dbraw/zinc/35/66/46/389356646.db2.gz DOLSRRMOMJXXKF-MGPQQGTHSA-N 2 2 298.431 0.474 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000332663112 389356648 /nfs/dbraw/zinc/35/66/48/389356648.db2.gz DOLSRRMOMJXXKF-MGPQQGTHSA-N 2 2 298.431 0.474 20 0 CCADLP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)[C@H]1CCC[NH2+]1 ZINC000422740776 389463733 /nfs/dbraw/zinc/46/37/33/389463733.db2.gz NEILELODWNJAQT-GDBMZVCRSA-N 3 2 282.476 0.990 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](OC)C2)CC1 ZINC000170820978 389464729 /nfs/dbraw/zinc/46/47/29/389464729.db2.gz FUKGPANROQJKBT-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](OC)C2)CC1 ZINC000170820978 389464732 /nfs/dbraw/zinc/46/47/32/389464732.db2.gz FUKGPANROQJKBT-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000422744834 389465490 /nfs/dbraw/zinc/46/54/90/389465490.db2.gz UGEROVGUGVYXEZ-ILXRZTDVSA-N 3 2 296.459 0.694 20 0 CCADLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000422744834 389465493 /nfs/dbraw/zinc/46/54/93/389465493.db2.gz UGEROVGUGVYXEZ-ILXRZTDVSA-N 3 2 296.459 0.694 20 0 CCADLP [NH3+][C@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000422765762 389469971 /nfs/dbraw/zinc/46/99/71/389469971.db2.gz LBXOWVVMUXBVHZ-WCQYABFASA-N 2 2 267.373 0.189 20 0 CCADLP [NH3+][C@H]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000422765762 389469975 /nfs/dbraw/zinc/46/99/75/389469975.db2.gz LBXOWVVMUXBVHZ-WCQYABFASA-N 2 2 267.373 0.189 20 0 CCADLP [NH3+]C[C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000422770528 389470987 /nfs/dbraw/zinc/47/09/87/389470987.db2.gz QFIQGAAJXMRMIL-UONOGXRCSA-N 2 2 281.400 0.295 20 0 CCADLP [NH3+]C[C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000422770528 389470990 /nfs/dbraw/zinc/47/09/90/389470990.db2.gz QFIQGAAJXMRMIL-UONOGXRCSA-N 2 2 281.400 0.295 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000422770935 389471339 /nfs/dbraw/zinc/47/13/39/389471339.db2.gz QTTVXPGBGRJEHV-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000422770935 389471341 /nfs/dbraw/zinc/47/13/41/389471341.db2.gz QTTVXPGBGRJEHV-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@H]([NH2+]Cc1cccc(OCC(N)=O)c1)[C@H]1CCC[NH2+]1 ZINC000422789626 389475577 /nfs/dbraw/zinc/47/55/77/389475577.db2.gz OPVVNLNUTIQQOP-SMDDNHRTSA-N 2 2 277.368 0.781 20 0 CCADLP Fc1cnc(N2CC[NH+](CCn3cc[nH+]c3)CC2)nc1 ZINC000273547119 389475846 /nfs/dbraw/zinc/47/58/46/389475846.db2.gz AJMSQOQJIQGCOD-UHFFFAOYSA-N 2 2 276.319 0.634 20 0 CCADLP CCCN(C(=O)C[N@H+](C)CC(=O)NC(C)C)[C@@H]1CC[NH2+]C1 ZINC000422803782 389477989 /nfs/dbraw/zinc/47/79/89/389477989.db2.gz JIQGDGSXSLAUTG-CYBMUJFWSA-N 2 2 298.431 0.043 20 0 CCADLP CCCN(C(=O)C[N@@H+](C)CC(=O)NC(C)C)[C@@H]1CC[NH2+]C1 ZINC000422803782 389477993 /nfs/dbraw/zinc/47/79/93/389477993.db2.gz JIQGDGSXSLAUTG-CYBMUJFWSA-N 2 2 298.431 0.043 20 0 CCADLP CC[C@@H](O)C[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000171649219 389478813 /nfs/dbraw/zinc/47/88/13/389478813.db2.gz DBTGLVAFDQHSCC-GFCCVEGCSA-N 2 2 252.362 0.309 20 0 CCADLP CC[N@@H+]1CCN(c2cc(NC[C@@H](C)O)[nH+]cn2)[C@@H](C)C1 ZINC000413281599 389488954 /nfs/dbraw/zinc/48/89/54/389488954.db2.gz NMOIGTRBTQUJKR-NWDGAFQWSA-N 2 2 279.388 0.800 20 0 CCADLP CC[N@H+]1CCN(c2cc(NC[C@@H](C)O)[nH+]cn2)[C@@H](C)C1 ZINC000413281599 389488958 /nfs/dbraw/zinc/48/89/58/389488958.db2.gz NMOIGTRBTQUJKR-NWDGAFQWSA-N 2 2 279.388 0.800 20 0 CCADLP COCC[N@H+](C)CCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422845865 389489533 /nfs/dbraw/zinc/48/95/33/389489533.db2.gz OYIVECVEENGTOH-GJZGRUSLSA-N 3 2 285.432 0.311 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422845865 389489538 /nfs/dbraw/zinc/48/95/38/389489538.db2.gz OYIVECVEENGTOH-GJZGRUSLSA-N 3 2 285.432 0.311 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@@H]([NH3+])C(C)C ZINC000422845006 389489704 /nfs/dbraw/zinc/48/97/04/389489704.db2.gz APZPBTDLCBFQOA-OLZOCXBDSA-N 2 2 271.405 0.587 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@@H]([NH3+])C(C)C ZINC000422845006 389489709 /nfs/dbraw/zinc/48/97/09/389489709.db2.gz APZPBTDLCBFQOA-OLZOCXBDSA-N 2 2 271.405 0.587 20 0 CCADLP CC[C@H](CCO)C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422849695 389491238 /nfs/dbraw/zinc/49/12/38/389491238.db2.gz CGXVGCLJFWCKTD-KWCYVHTRSA-N 2 2 256.390 0.752 20 0 CCADLP CCCNC(=O)CCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000411315229 389424949 /nfs/dbraw/zinc/42/49/49/389424949.db2.gz SXGIIIOLFMFLAS-HNNXBMFYSA-N 2 2 297.443 0.947 20 0 CCADLP CCCNC(=O)CCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000411315229 389424951 /nfs/dbraw/zinc/42/49/51/389424951.db2.gz SXGIIIOLFMFLAS-HNNXBMFYSA-N 2 2 297.443 0.947 20 0 CCADLP C[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1n1cc[nH+]c1 ZINC000163282508 389427108 /nfs/dbraw/zinc/42/71/08/389427108.db2.gz QJKRLEWOFYQYAD-RYUDHWBXSA-N 2 2 291.355 0.318 20 0 CCADLP C[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1n1cc[nH+]c1 ZINC000163282508 389427111 /nfs/dbraw/zinc/42/71/11/389427111.db2.gz QJKRLEWOFYQYAD-RYUDHWBXSA-N 2 2 291.355 0.318 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN2C(=O)OC[C@H]2C1 ZINC000371197119 389428753 /nfs/dbraw/zinc/42/87/53/389428753.db2.gz HDJPWICEESUSHX-NWDGAFQWSA-N 2 2 253.346 0.607 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN2C(=O)OC[C@H]2C1 ZINC000371197119 389428755 /nfs/dbraw/zinc/42/87/55/389428755.db2.gz HDJPWICEESUSHX-NWDGAFQWSA-N 2 2 253.346 0.607 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000371197119 389428757 /nfs/dbraw/zinc/42/87/57/389428757.db2.gz HDJPWICEESUSHX-NWDGAFQWSA-N 2 2 253.346 0.607 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000371197119 389428761 /nfs/dbraw/zinc/42/87/61/389428761.db2.gz HDJPWICEESUSHX-NWDGAFQWSA-N 2 2 253.346 0.607 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000422850856 389491947 /nfs/dbraw/zinc/49/19/47/389491947.db2.gz OHPSCGNDAMETEK-UONOGXRCSA-N 2 2 283.416 0.729 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000422850856 389491949 /nfs/dbraw/zinc/49/19/49/389491949.db2.gz OHPSCGNDAMETEK-UONOGXRCSA-N 2 2 283.416 0.729 20 0 CCADLP CC(C)(C[NH3+])C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000164233901 389433268 /nfs/dbraw/zinc/43/32/68/389433268.db2.gz PLGPWPPFPDRZSP-UHFFFAOYSA-N 2 2 260.341 0.978 20 0 CCADLP Cc1c(Cl)c(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)nn1C ZINC000422555334 389440256 /nfs/dbraw/zinc/44/02/56/389440256.db2.gz PDJAPXFFRDYSFB-LBPRGKRZSA-N 2 2 297.834 0.861 20 0 CCADLP Cc1c(Cl)c(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)nn1C ZINC000422555334 389440263 /nfs/dbraw/zinc/44/02/63/389440263.db2.gz PDJAPXFFRDYSFB-LBPRGKRZSA-N 2 2 297.834 0.861 20 0 CCADLP CC[C@H]([NH3+])C(=O)NC1(c2noc(C[NH+](C)C)n2)CCCC1 ZINC000166106608 389441042 /nfs/dbraw/zinc/44/10/42/389441042.db2.gz OPMJSOHUBLNITC-JTQLQIEISA-N 2 2 295.387 0.754 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CC(C)(C)O ZINC000349827092 389441776 /nfs/dbraw/zinc/44/17/76/389441776.db2.gz GWTWUILRSFYQDD-UHFFFAOYSA-N 2 2 285.432 0.632 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CC(C)(C)O ZINC000349827092 389441777 /nfs/dbraw/zinc/44/17/77/389441777.db2.gz GWTWUILRSFYQDD-UHFFFAOYSA-N 2 2 285.432 0.632 20 0 CCADLP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCC[C@H]3[NH3+])ccn2)CC1 ZINC000333785060 389444103 /nfs/dbraw/zinc/44/41/03/389444103.db2.gz FFJSKDUVKCMMJZ-HUUCEWRRSA-N 3 2 289.427 0.803 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000333845190 389445806 /nfs/dbraw/zinc/44/58/06/389445806.db2.gz PAQXTAKNRVWKPP-XBFCOCLRSA-N 2 2 296.415 0.228 20 0 CCADLP COCC[NH2+]CC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000168416677 389448838 /nfs/dbraw/zinc/44/88/38/389448838.db2.gz HCWBBDOPIFNFAY-UHFFFAOYSA-N 2 2 294.399 0.664 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000271950511 389450637 /nfs/dbraw/zinc/45/06/37/389450637.db2.gz ATTKBOJYKGYTBC-NSHDSACASA-N 2 2 286.401 0.157 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000271950511 389450642 /nfs/dbraw/zinc/45/06/42/389450642.db2.gz ATTKBOJYKGYTBC-NSHDSACASA-N 2 2 286.401 0.157 20 0 CCADLP CO[C@H](C)CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372742369 389456871 /nfs/dbraw/zinc/45/68/71/389456871.db2.gz QKUSXWJAFVZTFT-OLZOCXBDSA-N 2 2 298.431 0.489 20 0 CCADLP CO[C@H](C)CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372742369 389456872 /nfs/dbraw/zinc/45/68/72/389456872.db2.gz QKUSXWJAFVZTFT-OLZOCXBDSA-N 2 2 298.431 0.489 20 0 CCADLP CC(C)[C@@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000334168042 389457476 /nfs/dbraw/zinc/45/74/76/389457476.db2.gz AKTLFRVTKOAPCI-ZDUSSCGKSA-N 2 2 253.390 0.881 20 0 CCADLP CC(C)[C@@H]1CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000334168042 389457481 /nfs/dbraw/zinc/45/74/81/389457481.db2.gz AKTLFRVTKOAPCI-ZDUSSCGKSA-N 2 2 253.390 0.881 20 0 CCADLP CCOC(=O)C1([C@@H](C)[NH2+]CC[N@H+](C)CC)CC[NH2+]CC1 ZINC000422714526 389457901 /nfs/dbraw/zinc/45/79/01/389457901.db2.gz LAAZUSXCDZBOBN-CYBMUJFWSA-N 3 2 285.432 0.849 20 0 CCADLP CCOC(=O)C1([C@@H](C)[NH2+]CC[N@@H+](C)CC)CC[NH2+]CC1 ZINC000422714526 389457905 /nfs/dbraw/zinc/45/79/05/389457905.db2.gz LAAZUSXCDZBOBN-CYBMUJFWSA-N 3 2 285.432 0.849 20 0 CCADLP Cc1cc(CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])cc(C)[nH+]1 ZINC000422973744 389512819 /nfs/dbraw/zinc/51/28/19/389512819.db2.gz PKXIPBBREWXAFU-CYBMUJFWSA-N 2 2 290.367 0.264 20 0 CCADLP COCC[NH2+]CC[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@@H]1C ZINC000423343890 389569093 /nfs/dbraw/zinc/56/90/93/389569093.db2.gz WJHXREZOUBCTIO-RWMBFGLXSA-N 2 2 272.389 0.790 20 0 CCADLP C[C@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)[C@@H]1CCC[NH2+]1 ZINC000423024632 389524282 /nfs/dbraw/zinc/52/42/82/389524282.db2.gz JTDGYPKKKPNUBV-UBHSHLNASA-N 2 2 253.390 0.580 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)CCc1c[nH+]cn1C ZINC000276666124 389525781 /nfs/dbraw/zinc/52/57/81/389525781.db2.gz YOMPQKPGBUYASR-GFCCVEGCSA-N 2 2 280.372 0.190 20 0 CCADLP C[C@H](CNC(=O)CCc1c[nH+]cn1C)[N@H+](C)C1CC1 ZINC000276670515 389526935 /nfs/dbraw/zinc/52/69/35/389526935.db2.gz ZFXFFPVFSPSKGB-LLVKDONJSA-N 2 2 264.373 0.952 20 0 CCADLP C[C@H](CNC(=O)CCc1c[nH+]cn1C)[N@@H+](C)C1CC1 ZINC000276670515 389526938 /nfs/dbraw/zinc/52/69/38/389526938.db2.gz ZFXFFPVFSPSKGB-LLVKDONJSA-N 2 2 264.373 0.952 20 0 CCADLP COC(=O)c1cn(CC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)nn1 ZINC000423100373 389533836 /nfs/dbraw/zinc/53/38/36/389533836.db2.gz GUJOFKDSCJGLOE-GHMZBOCLSA-N 2 2 281.360 0.185 20 0 CCADLP C1=CCN(CC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000423096942 389534089 /nfs/dbraw/zinc/53/40/89/389534089.db2.gz QBVRKTAWSVBWII-LSDHHAIUSA-N 2 2 265.401 0.605 20 0 CCADLP C1=CC[N@H+](CCN[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000423096942 389534092 /nfs/dbraw/zinc/53/40/92/389534092.db2.gz QBVRKTAWSVBWII-LSDHHAIUSA-N 2 2 265.401 0.605 20 0 CCADLP C1=CC[N@@H+](CCN[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000423096942 389534094 /nfs/dbraw/zinc/53/40/94/389534094.db2.gz QBVRKTAWSVBWII-LSDHHAIUSA-N 2 2 265.401 0.605 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000423112197 389536284 /nfs/dbraw/zinc/53/62/84/389536284.db2.gz RQQUGNRXYFDWTD-GRYCIOLGSA-N 2 2 295.349 0.837 20 0 CCADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cnnn1C ZINC000423122168 389537701 /nfs/dbraw/zinc/53/77/01/389537701.db2.gz JMJYUNQEMAKKST-BXUZGUMPSA-N 2 2 259.357 0.863 20 0 CCADLP CCCC[N@H+](C)C[C@@H](C)N[C@@H]1CC[NH2+][C@@H]1C(=O)OCC ZINC000423130436 389539536 /nfs/dbraw/zinc/53/95/36/389539536.db2.gz YIPABDBBCPRJGG-MCIONIFRSA-N 2 2 285.432 0.990 20 0 CCADLP CCCC[N@@H+](C)C[C@@H](C)N[C@@H]1CC[NH2+][C@@H]1C(=O)OCC ZINC000423130436 389539542 /nfs/dbraw/zinc/53/95/42/389539542.db2.gz YIPABDBBCPRJGG-MCIONIFRSA-N 2 2 285.432 0.990 20 0 CCADLP CCC[C@H](C)C(=O)NCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423131061 389540126 /nfs/dbraw/zinc/54/01/26/389540126.db2.gz NMLQLVWUXGCOLV-AEGPPILISA-N 2 2 297.443 0.895 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](CC)[C@@H]1CCCC[NH2+]1 ZINC000423161942 389547133 /nfs/dbraw/zinc/54/71/33/389547133.db2.gz SUNWUDXYXISDAJ-AGIUHOORSA-N 2 2 291.461 0.825 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)[NH+](C)C ZINC000350897613 389553313 /nfs/dbraw/zinc/55/33/13/389553313.db2.gz RYHJEVQZIMCUOW-GXTWGEPZSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)[NH+](C)C ZINC000350897613 389553316 /nfs/dbraw/zinc/55/33/16/389553316.db2.gz RYHJEVQZIMCUOW-GXTWGEPZSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@H](C(=O)N1CC[NH2+][C@H](c2ccncc2)C1)[NH+](C)C ZINC000413783204 389556133 /nfs/dbraw/zinc/55/61/33/389556133.db2.gz LYFHJMKHHJVBHV-UONOGXRCSA-N 2 2 276.384 0.895 20 0 CCADLP [NH3+]C[C@H]1CCN(C(=O)[C@@H]([NH3+])c2c(F)cccc2F)C1 ZINC000335418145 389556113 /nfs/dbraw/zinc/55/61/13/389556113.db2.gz QQSHYLUGAWIKDP-PELKAZGASA-N 2 2 269.295 0.772 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@H]([NH3+])c1ccccc1 ZINC000423249104 389556867 /nfs/dbraw/zinc/55/68/67/389556867.db2.gz OFRZGDNKGATZFQ-BFHYXJOUSA-N 2 2 277.368 0.570 20 0 CCADLP CC1(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C[NH2+]C1 ZINC000423306773 389561998 /nfs/dbraw/zinc/56/19/98/389561998.db2.gz USULOTMGDDGKGW-UHFFFAOYSA-N 2 2 274.368 0.908 20 0 CCADLP CCN(C)C(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374323663 389567442 /nfs/dbraw/zinc/56/74/42/389567442.db2.gz ISYWPUKUKYPKPU-CABCVRRESA-N 2 2 296.459 0.423 20 0 CCADLP CCN(C)C(=O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374323663 389567445 /nfs/dbraw/zinc/56/74/45/389567445.db2.gz ISYWPUKUKYPKPU-CABCVRRESA-N 2 2 296.459 0.423 20 0 CCADLP CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CCC[N@@H+](C)C1 ZINC000373582275 389497783 /nfs/dbraw/zinc/49/77/83/389497783.db2.gz MHDMXGYCRGMEES-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000373587581 389498640 /nfs/dbraw/zinc/49/86/40/389498640.db2.gz XTYTURUZQQNJJO-HNNXBMFYSA-N 2 2 295.427 0.651 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000373587581 389498642 /nfs/dbraw/zinc/49/86/42/389498642.db2.gz XTYTURUZQQNJJO-HNNXBMFYSA-N 2 2 295.427 0.651 20 0 CCADLP CCOC(=O)[C@](C)(O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000274220582 389500795 /nfs/dbraw/zinc/50/07/95/389500795.db2.gz RIFPLTLOGIUWGP-CQSZACIVSA-N 2 2 281.356 0.834 20 0 CCADLP C[NH+]1CCC(CC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000374912044 389619411 /nfs/dbraw/zinc/61/94/11/389619411.db2.gz CZXDHWYQPSABCZ-ZDUSSCGKSA-N 2 2 269.389 0.165 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH2+]C2CCN(CC(=O)OC)CC2)C1 ZINC000414548857 389620662 /nfs/dbraw/zinc/62/06/62/389620662.db2.gz KOVOVOPVXRJAQZ-CYBMUJFWSA-N 2 2 269.389 0.308 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(CC(=O)OC)CC2)C1 ZINC000414548857 389620668 /nfs/dbraw/zinc/62/06/68/389620668.db2.gz KOVOVOPVXRJAQZ-CYBMUJFWSA-N 2 2 269.389 0.308 20 0 CCADLP CC(C)C(=O)NCC[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351579819 389620859 /nfs/dbraw/zinc/62/08/59/389620859.db2.gz KENGBLOKTNKKSZ-CYBMUJFWSA-N 2 2 271.405 0.146 20 0 CCADLP CC(C)C(=O)NCC[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351579819 389620865 /nfs/dbraw/zinc/62/08/65/389620865.db2.gz KENGBLOKTNKKSZ-CYBMUJFWSA-N 2 2 271.405 0.146 20 0 CCADLP CC(C)C(=O)NCC[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351579819 389620872 /nfs/dbraw/zinc/62/08/72/389620872.db2.gz KENGBLOKTNKKSZ-CYBMUJFWSA-N 2 2 271.405 0.146 20 0 CCADLP CC(C)C(=O)NCC[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351579819 389620875 /nfs/dbraw/zinc/62/08/75/389620875.db2.gz KENGBLOKTNKKSZ-CYBMUJFWSA-N 2 2 271.405 0.146 20 0 CCADLP C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](CCC[NH3+])CC2)C1 ZINC000414684917 389627263 /nfs/dbraw/zinc/62/72/63/389627263.db2.gz XKPYWNXUSZYILD-GASCZTMLSA-N 2 2 296.459 0.457 20 0 CCADLP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(CCC[NH3+])CC2)C1 ZINC000414684917 389627268 /nfs/dbraw/zinc/62/72/68/389627268.db2.gz XKPYWNXUSZYILD-GASCZTMLSA-N 2 2 296.459 0.457 20 0 CCADLP CC[C@]1(CO)CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351604960 389629117 /nfs/dbraw/zinc/62/91/17/389629117.db2.gz GRVOPUOKKVECDS-GJZGRUSLSA-N 2 2 270.417 0.926 20 0 CCADLP CC[C@]1(CO)CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351604960 389629120 /nfs/dbraw/zinc/62/91/20/389629120.db2.gz GRVOPUOKKVECDS-GJZGRUSLSA-N 2 2 270.417 0.926 20 0 CCADLP CC[C@]1(CO)CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000351604960 389629122 /nfs/dbraw/zinc/62/91/22/389629122.db2.gz GRVOPUOKKVECDS-GJZGRUSLSA-N 2 2 270.417 0.926 20 0 CCADLP CC[C@]1(CO)CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351604960 389629127 /nfs/dbraw/zinc/62/91/27/389629127.db2.gz GRVOPUOKKVECDS-GJZGRUSLSA-N 2 2 270.417 0.926 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@@H](CO)c1cccc(F)c1)C1CC1 ZINC000351602553 389629850 /nfs/dbraw/zinc/62/98/50/389629850.db2.gz IQTPURLKOBPTBL-CABCVRRESA-N 2 2 282.359 0.904 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H](CO)c1cccc(F)c1)C1CC1 ZINC000351602553 389629856 /nfs/dbraw/zinc/62/98/56/389629856.db2.gz IQTPURLKOBPTBL-CABCVRRESA-N 2 2 282.359 0.904 20 0 CCADLP CC(C)n1cc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cn1 ZINC000179000928 389632426 /nfs/dbraw/zinc/63/24/26/389632426.db2.gz WPHZXGXFWBJCDP-ZDUSSCGKSA-N 2 2 254.378 0.866 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC(Cn2cncn2)CC1)C1CC1 ZINC000351608706 389632774 /nfs/dbraw/zinc/63/27/74/389632774.db2.gz IRRDCGFFRQJDPI-HNNXBMFYSA-N 2 2 293.415 0.445 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(Cn2cncn2)CC1)C1CC1 ZINC000351608706 389632776 /nfs/dbraw/zinc/63/27/76/389632776.db2.gz IRRDCGFFRQJDPI-HNNXBMFYSA-N 2 2 293.415 0.445 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@@H+]1CCOCC1(C)C)[C@@H](C)[NH3+] ZINC000423365427 389573856 /nfs/dbraw/zinc/57/38/56/389573856.db2.gz BTLQBNWERQGBHP-CHWSQXEVSA-N 2 2 285.432 0.833 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@H+]1CCOCC1(C)C)[C@@H](C)[NH3+] ZINC000423365427 389573859 /nfs/dbraw/zinc/57/38/59/389573859.db2.gz BTLQBNWERQGBHP-CHWSQXEVSA-N 2 2 285.432 0.833 20 0 CCADLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423363032 389574046 /nfs/dbraw/zinc/57/40/46/389574046.db2.gz IRHXEARTSRDKLX-QWRGUYRKSA-N 2 2 285.413 0.935 20 0 CCADLP CCC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351443331 389583225 /nfs/dbraw/zinc/58/32/25/389583225.db2.gz NEHFKXLMOHCDHL-OCCSQVGLSA-N 2 2 283.416 0.432 20 0 CCADLP CCC(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351443331 389583229 /nfs/dbraw/zinc/58/32/29/389583229.db2.gz NEHFKXLMOHCDHL-OCCSQVGLSA-N 2 2 283.416 0.432 20 0 CCADLP CCC(=O)N[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000351443331 389583232 /nfs/dbraw/zinc/58/32/32/389583232.db2.gz NEHFKXLMOHCDHL-OCCSQVGLSA-N 2 2 283.416 0.432 20 0 CCADLP CCC(=O)N[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351443331 389583238 /nfs/dbraw/zinc/58/32/38/389583238.db2.gz NEHFKXLMOHCDHL-OCCSQVGLSA-N 2 2 283.416 0.432 20 0 CCADLP CO[C@H]1COCC[C@H]1C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425374613 389645471 /nfs/dbraw/zinc/64/54/71/389645471.db2.gz XNYMRHRQIRWGRE-AAEUAGOBSA-N 2 2 282.388 0.627 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])C2CCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000423435768 389587949 /nfs/dbraw/zinc/58/79/49/389587949.db2.gz RQQWXRHTRHAEDL-XBFCOCLRSA-N 2 2 281.400 0.293 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423465956 389590945 /nfs/dbraw/zinc/59/09/45/389590945.db2.gz AFRKHLLYRVZEEZ-RDBSUJKOSA-N 3 2 255.406 0.875 20 0 CCADLP [NH3+][C@H](CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)C1CC1 ZINC000423470698 389591877 /nfs/dbraw/zinc/59/18/77/389591877.db2.gz DKESZHHNZJOBBN-KGLIPLIRSA-N 2 2 281.400 0.341 20 0 CCADLP [NH3+][C@H](CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1)C1CC1 ZINC000423470698 389591879 /nfs/dbraw/zinc/59/18/79/389591879.db2.gz DKESZHHNZJOBBN-KGLIPLIRSA-N 2 2 281.400 0.341 20 0 CCADLP C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425373211 389645989 /nfs/dbraw/zinc/64/59/89/389645989.db2.gz UWVGIAKKRCAYDX-PWSUYJOCSA-N 2 2 252.362 0.831 20 0 CCADLP C[C@@H]1CC[C@H](O)C[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425373211 389645997 /nfs/dbraw/zinc/64/59/97/389645997.db2.gz UWVGIAKKRCAYDX-PWSUYJOCSA-N 2 2 252.362 0.831 20 0 CCADLP C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@H]1C[NH2+]CCO1 ZINC000423550056 389601508 /nfs/dbraw/zinc/60/15/08/389601508.db2.gz FIZABHWWPHVSRX-BARDWOONSA-N 3 2 267.417 0.875 20 0 CCADLP COCCOc1cc2c(cc1C[NH2+][C@@H](C)C[NH3+])OCO2 ZINC000414944096 389646624 /nfs/dbraw/zinc/64/66/24/389646624.db2.gz NIIUNXGAUQSZKJ-JTQLQIEISA-N 2 2 282.340 0.877 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000423762683 389608596 /nfs/dbraw/zinc/60/85/96/389608596.db2.gz SYYJVKXTAJCSRZ-IHRRRGAJSA-N 2 2 281.400 0.354 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000423762683 389608601 /nfs/dbraw/zinc/60/86/01/389608601.db2.gz SYYJVKXTAJCSRZ-IHRRRGAJSA-N 2 2 281.400 0.354 20 0 CCADLP CCOC1(C)CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000428744775 389717618 /nfs/dbraw/zinc/71/76/18/389717618.db2.gz CZZUUPBPNASGIQ-UHFFFAOYSA-N 2 2 283.416 0.651 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCn3c(C)c(C)[nH+]c3C2)C1 ZINC000375875787 389721326 /nfs/dbraw/zinc/72/13/26/389721326.db2.gz DPNBMVYHLLGCNH-CYBMUJFWSA-N 2 2 292.383 0.563 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCn3c(C)c(C)[nH+]c3C2)C1 ZINC000375875787 389721330 /nfs/dbraw/zinc/72/13/30/389721330.db2.gz DPNBMVYHLLGCNH-CYBMUJFWSA-N 2 2 292.383 0.563 20 0 CCADLP COc1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc2c1OCO2 ZINC000415031215 389653264 /nfs/dbraw/zinc/65/32/64/389653264.db2.gz FWQXDJPVBWWXGL-IWIIMEHWSA-N 2 2 262.309 0.731 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000282086961 389655784 /nfs/dbraw/zinc/65/57/84/389655784.db2.gz HYPXKKXKBRJFGB-GFCCVEGCSA-N 2 2 271.386 0.701 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000282086961 389655786 /nfs/dbraw/zinc/65/57/86/389655786.db2.gz HYPXKKXKBRJFGB-GFCCVEGCSA-N 2 2 271.386 0.701 20 0 CCADLP Cc1ccc(NC[C@H]2CCCN(C(=O)C[NH3+])C2)c[nH+]1 ZINC000415079443 389655935 /nfs/dbraw/zinc/65/59/35/389655935.db2.gz HWWYRJMVVPSQLR-GFCCVEGCSA-N 2 2 262.357 0.999 20 0 CCADLP C[N@@H+](Cc1cnn(Cc2ccc(F)cc2)c1)C[C@H](O)C[NH3+] ZINC000415069006 389655957 /nfs/dbraw/zinc/65/59/57/389655957.db2.gz OCRFDSJXYKLBGG-OAHLLOKOSA-N 2 2 292.358 0.822 20 0 CCADLP C[N@H+](Cc1cnn(Cc2ccc(F)cc2)c1)C[C@H](O)C[NH3+] ZINC000415069006 389655959 /nfs/dbraw/zinc/65/59/59/389655959.db2.gz OCRFDSJXYKLBGG-OAHLLOKOSA-N 2 2 292.358 0.822 20 0 CCADLP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000415073373 389655972 /nfs/dbraw/zinc/65/59/72/389655972.db2.gz AZOXWEVXKOBEIN-INIZCTEOSA-N 3 2 275.396 0.970 20 0 CCADLP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC000415113036 389660831 /nfs/dbraw/zinc/66/08/31/389660831.db2.gz SGSYPUVNHYQXDT-HNNXBMFYSA-N 3 2 268.449 0.602 20 0 CCADLP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC000415113036 389660832 /nfs/dbraw/zinc/66/08/32/389660832.db2.gz SGSYPUVNHYQXDT-HNNXBMFYSA-N 3 2 268.449 0.602 20 0 CCADLP CC(C)CNC(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000378248405 389757760 /nfs/dbraw/zinc/75/77/60/389757760.db2.gz MXGRKFCLBWYMCY-SOUVJXGZSA-N 2 2 297.443 0.942 20 0 CCADLP CC(C)CNC(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000378248405 389757761 /nfs/dbraw/zinc/75/77/61/389757761.db2.gz MXGRKFCLBWYMCY-SOUVJXGZSA-N 2 2 297.443 0.942 20 0 CCADLP Nc1nc(-n2cccn2)cc(N2CCC[N@@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000378417449 389758273 /nfs/dbraw/zinc/75/82/73/389758273.db2.gz WBJJIJATKVEIQH-GFCCVEGCSA-N 2 2 299.382 0.749 20 0 CCADLP Nc1nc(-n2cccn2)cc(N2CCC[N@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000378417449 389758275 /nfs/dbraw/zinc/75/82/75/389758275.db2.gz WBJJIJATKVEIQH-GFCCVEGCSA-N 2 2 299.382 0.749 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@H]1CC[NH+](C2CC2)C1)C1CC1 ZINC000382173652 389765404 /nfs/dbraw/zinc/76/54/04/389765404.db2.gz GCPGQEGURZJNOK-DOMZBBRYSA-N 3 2 267.417 0.515 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H]1CC[NH+](C2CC2)C1)C1CC1 ZINC000382173652 389765406 /nfs/dbraw/zinc/76/54/06/389765406.db2.gz GCPGQEGURZJNOK-DOMZBBRYSA-N 3 2 267.417 0.515 20 0 CCADLP C[NH+](C[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000382173652 389765408 /nfs/dbraw/zinc/76/54/08/389765408.db2.gz GCPGQEGURZJNOK-DOMZBBRYSA-N 3 2 267.417 0.515 20 0 CCADLP C[NH+](C[C@@H](O)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000382173652 389765411 /nfs/dbraw/zinc/76/54/11/389765411.db2.gz GCPGQEGURZJNOK-DOMZBBRYSA-N 3 2 267.417 0.515 20 0 CCADLP COC[C@@]1(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC[NH2+]C1 ZINC000388396947 389769198 /nfs/dbraw/zinc/76/91/98/389769198.db2.gz XBKGWBMQNUOYTC-WCQYABFASA-N 2 2 266.345 0.014 20 0 CCADLP C[C@H]1CN(C(=O)NCC(C)(C)[NH+]2CCOCC2)[C@@H](C)C[NH2+]1 ZINC000416814410 389772900 /nfs/dbraw/zinc/77/29/00/389772900.db2.gz GTLHTSCVLPNZRT-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP [NH3+]C[C@@H](NC(=O)NCCn1cc[nH+]c1)C1CCCC1 ZINC000416858208 389776589 /nfs/dbraw/zinc/77/65/89/389776589.db2.gz SRQHGROUYHWLJI-GFCCVEGCSA-N 2 2 265.361 0.700 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000416945792 389783577 /nfs/dbraw/zinc/78/35/77/389783577.db2.gz NKSSPIIMAIDTIV-GHMZBOCLSA-N 2 2 275.356 0.912 20 0 CCADLP CN(C)c1ccc(CNC(=O)NC[C@H]2CCC[NH2+]2)c[nH+]1 ZINC000417005649 389788335 /nfs/dbraw/zinc/78/83/35/389788335.db2.gz DSRGFZGXAYXZTP-GFCCVEGCSA-N 2 2 277.372 0.699 20 0 CCADLP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000417015061 389789483 /nfs/dbraw/zinc/78/94/83/389789483.db2.gz LXTOBDQOWDLNDZ-WCQYABFASA-N 2 2 291.399 0.945 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000417035149 389790998 /nfs/dbraw/zinc/79/09/98/389790998.db2.gz REZYYVFRIAJWLG-MGPQQGTHSA-N 2 2 298.431 0.333 20 0 CCADLP C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000183173710 389726998 /nfs/dbraw/zinc/72/69/98/389726998.db2.gz APCNBDXPZVIOOM-NWDGAFQWSA-N 2 2 250.346 0.859 20 0 CCADLP C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CCCn1cc[nH+]c1 ZINC000183173710 389726999 /nfs/dbraw/zinc/72/69/99/389726999.db2.gz APCNBDXPZVIOOM-NWDGAFQWSA-N 2 2 250.346 0.859 20 0 CCADLP CO[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000376097215 389729473 /nfs/dbraw/zinc/72/94/73/389729473.db2.gz PHLIXGRKTFMPTQ-HIFRSBDPSA-N 2 2 295.427 0.696 20 0 CCADLP CO[C@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000376097215 389729475 /nfs/dbraw/zinc/72/94/75/389729475.db2.gz PHLIXGRKTFMPTQ-HIFRSBDPSA-N 2 2 295.427 0.696 20 0 CCADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCC[NH+]1CCOCC1 ZINC000416433524 389742739 /nfs/dbraw/zinc/74/27/39/389742739.db2.gz PSJSBPPMDWUEQH-ZDUSSCGKSA-N 2 2 286.420 0.333 20 0 CCADLP C[C@@H]1CN(C(=O)NCCCn2cc[nH+]c2)C[C@@]1(C)C[NH3+] ZINC000416443795 389744276 /nfs/dbraw/zinc/74/42/76/389744276.db2.gz HKSLXGLVOAOLHM-TZMCWYRMSA-N 2 2 279.388 0.900 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000416441455 389744400 /nfs/dbraw/zinc/74/44/00/389744400.db2.gz VKFUGBQBAPCRTQ-QJPTWQEYSA-N 2 2 265.361 0.569 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430551377 389807151 /nfs/dbraw/zinc/80/71/51/389807151.db2.gz HUTNBVPJOAFVIY-ZDUSSCGKSA-N 2 2 270.377 0.185 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000430571869 389808699 /nfs/dbraw/zinc/80/86/99/389808699.db2.gz DFEHGZCXMVRWKS-KKUMJFAQSA-N 3 2 296.459 0.598 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000430571869 389808702 /nfs/dbraw/zinc/80/87/02/389808702.db2.gz DFEHGZCXMVRWKS-KKUMJFAQSA-N 3 2 296.459 0.598 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)C[C@@H](C)O1 ZINC000430588105 389809996 /nfs/dbraw/zinc/80/99/96/389809996.db2.gz CBYXRGOKIWVGDP-GYSYKLTISA-N 2 2 269.389 0.339 20 0 CCADLP C[C@](C[NH3+])([NH2+]CC(=O)N1CCO[C@H]2CCCC[C@@H]21)C1CC1 ZINC000430594696 389810610 /nfs/dbraw/zinc/81/06/10/389810610.db2.gz GVCPSTBTLYRGGM-OFQRWUPVSA-N 2 2 295.427 0.873 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)NC2CC[NH2+]CC2)CCO1 ZINC000417426798 389814663 /nfs/dbraw/zinc/81/46/63/389814663.db2.gz OCFPMCUONGWGDL-UHFFFAOYSA-N 2 2 284.404 0.148 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)NC2CC[NH2+]CC2)CCO1 ZINC000417426798 389814665 /nfs/dbraw/zinc/81/46/65/389814665.db2.gz OCFPMCUONGWGDL-UHFFFAOYSA-N 2 2 284.404 0.148 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000430640584 389815675 /nfs/dbraw/zinc/81/56/75/389815675.db2.gz RMSBUKYQOULNPG-QMMMGPOBSA-N 2 2 296.293 0.045 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000430640584 389815679 /nfs/dbraw/zinc/81/56/79/389815679.db2.gz RMSBUKYQOULNPG-QMMMGPOBSA-N 2 2 296.293 0.045 20 0 CCADLP Cn1cc(N2CCC[C@H]([N@@H+]3CCC[C@H](C[NH3+])C3)C2=O)cn1 ZINC000430659377 389817347 /nfs/dbraw/zinc/81/73/47/389817347.db2.gz ZNHYTRUSPOGDCG-OCCSQVGLSA-N 2 2 291.399 0.586 20 0 CCADLP Cn1cc(N2CCC[C@H]([N@H+]3CCC[C@H](C[NH3+])C3)C2=O)cn1 ZINC000430659377 389817350 /nfs/dbraw/zinc/81/73/50/389817350.db2.gz ZNHYTRUSPOGDCG-OCCSQVGLSA-N 2 2 291.399 0.586 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000417507773 389823173 /nfs/dbraw/zinc/82/31/73/389823173.db2.gz PJYSAYBGAAHMAS-GFCCVEGCSA-N 2 2 284.404 0.148 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000417507773 389823175 /nfs/dbraw/zinc/82/31/75/389823175.db2.gz PJYSAYBGAAHMAS-GFCCVEGCSA-N 2 2 284.404 0.148 20 0 CCADLP C[C@H](NC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)[C@H](C)[NH+]1CCOCC1 ZINC000417517393 389824764 /nfs/dbraw/zinc/82/47/64/389824764.db2.gz IUVCIAHGHSVQJX-IGQOVBAYSA-N 2 2 298.431 0.522 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC[NH2+]1 ZINC000417518466 389825009 /nfs/dbraw/zinc/82/50/09/389825009.db2.gz SQJNURRKZNHIOS-FRRDWIJNSA-N 2 2 284.404 0.147 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NCC[N@H+]2CCOC[C@@H]2C)CC[NH2+]1 ZINC000417518466 389825011 /nfs/dbraw/zinc/82/50/11/389825011.db2.gz SQJNURRKZNHIOS-FRRDWIJNSA-N 2 2 284.404 0.147 20 0 CCADLP C[C@H](NC(=O)NCCC[NH2+]C1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000417516082 389825443 /nfs/dbraw/zinc/82/54/43/389825443.db2.gz FZBXSMMPNKGDCV-STQMWFEESA-N 2 2 298.431 0.537 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)COC1C[NH2+]C1 ZINC000430779009 389825542 /nfs/dbraw/zinc/82/55/42/389825542.db2.gz XRYYKFCOTYQBIO-UHFFFAOYSA-N 2 2 266.345 0.144 20 0 CCADLP CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352525609 389825846 /nfs/dbraw/zinc/82/58/46/389825846.db2.gz HNBGNZYJPZKQQU-ZIAGYGMSSA-N 2 2 282.432 0.221 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCC1([NH3+])CCCCC1 ZINC000417526652 389826952 /nfs/dbraw/zinc/82/69/52/389826952.db2.gz NBRWRTYJLRHOTA-ZDUSSCGKSA-N 2 2 298.431 0.668 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCC1([NH3+])CCCCC1 ZINC000417526652 389826953 /nfs/dbraw/zinc/82/69/53/389826953.db2.gz NBRWRTYJLRHOTA-ZDUSSCGKSA-N 2 2 298.431 0.668 20 0 CCADLP C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000417529254 389827194 /nfs/dbraw/zinc/82/71/94/389827194.db2.gz QNAHEVVTIIXCTM-YNEHKIRRSA-N 2 2 284.404 0.086 20 0 CCADLP C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000417529254 389827199 /nfs/dbraw/zinc/82/71/99/389827199.db2.gz QNAHEVVTIIXCTM-YNEHKIRRSA-N 2 2 284.404 0.086 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCN1CC[NH+](C)C(C)(C)C1 ZINC000441349011 389831395 /nfs/dbraw/zinc/83/13/95/389831395.db2.gz RRDKNMRPGKBGLI-KBPBESRZSA-N 3 2 268.449 0.552 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCN1CC[NH+](C)C(C)(C)C1 ZINC000441349011 389831398 /nfs/dbraw/zinc/83/13/98/389831398.db2.gz RRDKNMRPGKBGLI-KBPBESRZSA-N 3 2 268.449 0.552 20 0 CCADLP C[C@H]1C[NH+](C)C[C@@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000441349011 389831401 /nfs/dbraw/zinc/83/14/01/389831401.db2.gz RRDKNMRPGKBGLI-KBPBESRZSA-N 3 2 268.449 0.552 20 0 CCADLP C[C@H]1C[NH+](C)C[C@@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441349011 389831402 /nfs/dbraw/zinc/83/14/02/389831402.db2.gz RRDKNMRPGKBGLI-KBPBESRZSA-N 3 2 268.449 0.552 20 0 CCADLP COCc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430916396 389833966 /nfs/dbraw/zinc/83/39/66/389833966.db2.gz AKHFIDKNJOVVHQ-ZDUSSCGKSA-N 2 2 291.395 0.730 20 0 CCADLP COCc1ccccc1CNC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430916396 389833970 /nfs/dbraw/zinc/83/39/70/389833970.db2.gz AKHFIDKNJOVVHQ-ZDUSSCGKSA-N 2 2 291.395 0.730 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+]([C@H]2CCCN(c3cnn(C)c3)C2=O)C1 ZINC000430918684 389834911 /nfs/dbraw/zinc/83/49/11/389834911.db2.gz NTSULQUTOMJCKC-OCCSQVGLSA-N 2 2 291.399 0.457 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+]([C@H]2CCCN(c3cnn(C)c3)C2=O)C1 ZINC000430918684 389834913 /nfs/dbraw/zinc/83/49/13/389834913.db2.gz NTSULQUTOMJCKC-OCCSQVGLSA-N 2 2 291.399 0.457 20 0 CCADLP CN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430930225 389836629 /nfs/dbraw/zinc/83/66/29/389836629.db2.gz XKUDAGFIIPVQRY-QMMMGPOBSA-N 2 2 253.268 0.288 20 0 CCADLP CN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430930225 389836632 /nfs/dbraw/zinc/83/66/32/389836632.db2.gz XKUDAGFIIPVQRY-QMMMGPOBSA-N 2 2 253.268 0.288 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH2+]C)C2)CC1 ZINC000430934840 389836756 /nfs/dbraw/zinc/83/67/56/389836756.db2.gz QULRQLHXKATTRO-KGLIPLIRSA-N 3 2 282.432 0.080 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH2+]C)C2)CC1 ZINC000430934840 389836757 /nfs/dbraw/zinc/83/67/57/389836757.db2.gz QULRQLHXKATTRO-KGLIPLIRSA-N 3 2 282.432 0.080 20 0 CCADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)C1 ZINC000430951338 389839247 /nfs/dbraw/zinc/83/92/47/389839247.db2.gz VCVALHMEEONRBT-TZMCWYRMSA-N 2 2 289.379 0.387 20 0 CCADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)C1 ZINC000430951338 389839251 /nfs/dbraw/zinc/83/92/51/389839251.db2.gz VCVALHMEEONRBT-TZMCWYRMSA-N 2 2 289.379 0.387 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NC(=O)Nc2ccccc2)C1 ZINC000430957687 389840182 /nfs/dbraw/zinc/84/01/82/389840182.db2.gz PQQCDDQBDKDNHT-GFCCVEGCSA-N 2 2 290.367 0.876 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NC(=O)Nc2ccccc2)C1 ZINC000430957687 389840186 /nfs/dbraw/zinc/84/01/86/389840186.db2.gz PQQCDDQBDKDNHT-GFCCVEGCSA-N 2 2 290.367 0.876 20 0 CCADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430964072 389841382 /nfs/dbraw/zinc/84/13/82/389841382.db2.gz XMXGIQZSFYUQQE-FRRDWIJNSA-N 2 2 296.415 0.672 20 0 CCADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430964072 389841384 /nfs/dbraw/zinc/84/13/84/389841384.db2.gz XMXGIQZSFYUQQE-FRRDWIJNSA-N 2 2 296.415 0.672 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430967913 389841585 /nfs/dbraw/zinc/84/15/85/389841585.db2.gz UTQUNGRVJBQQJA-VWYCJHECSA-N 2 2 270.377 0.278 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430967913 389841586 /nfs/dbraw/zinc/84/15/86/389841586.db2.gz UTQUNGRVJBQQJA-VWYCJHECSA-N 2 2 270.377 0.278 20 0 CCADLP C[C@@H](CNC(=O)CC1CC[NH2+]CC1)[NH+]1CCN(C)CC1 ZINC000431001084 389843215 /nfs/dbraw/zinc/84/32/15/389843215.db2.gz HVNBYOKGFFDWSQ-ZDUSSCGKSA-N 2 2 282.432 0.128 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000431052674 389848046 /nfs/dbraw/zinc/84/80/46/389848046.db2.gz ZCWXCIIJUITTAJ-ZDUSSCGKSA-N 3 2 294.443 0.271 20 0 CCADLP O=C(C[NH2+]C[C@@H]1CCCO1)N1CCC(n2cc[nH+]c2)CC1 ZINC000431055622 389848120 /nfs/dbraw/zinc/84/81/20/389848120.db2.gz AAURVGPDGWIHLQ-AWEZNQCLSA-N 2 2 292.383 0.815 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353499827 389852336 /nfs/dbraw/zinc/85/23/36/389852336.db2.gz DJOBMBIPGMCDAB-XJFOESAGSA-N 3 2 255.406 0.371 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353499827 389852340 /nfs/dbraw/zinc/85/23/40/389852340.db2.gz DJOBMBIPGMCDAB-XJFOESAGSA-N 3 2 255.406 0.371 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000353520740 389852487 /nfs/dbraw/zinc/85/24/87/389852487.db2.gz OSGLAZGZDJNMQP-ZNMIVQPWSA-N 2 2 295.427 0.554 20 0 CCADLP CCn1c[nH+]cc1CN(CCOC)CC[NH+](C)C ZINC000418062231 389869044 /nfs/dbraw/zinc/86/90/44/389869044.db2.gz FOHZMEURVLPIGF-UHFFFAOYSA-N 2 2 254.378 0.913 20 0 CCADLP CCOC1CC(O)(C[NH2+][C@@H]2C[N@H+](CC)C[C@H]2C)C1 ZINC000444006567 389887848 /nfs/dbraw/zinc/88/78/48/389887848.db2.gz BAMGDFIPNRQSPV-NELGMTEASA-N 2 2 256.390 0.846 20 0 CCADLP CCOC1CC(O)(C[NH2+][C@@H]2C[N@@H+](CC)C[C@H]2C)C1 ZINC000444006567 389887850 /nfs/dbraw/zinc/88/78/50/389887850.db2.gz BAMGDFIPNRQSPV-NELGMTEASA-N 2 2 256.390 0.846 20 0 CCADLP CCOC1CC(O)(C[NH2+][C@H]2C[N@H+](CC)C[C@H]2C)C1 ZINC000444006570 389888086 /nfs/dbraw/zinc/88/80/86/389888086.db2.gz BAMGDFIPNRQSPV-ZIHBUVQPSA-N 2 2 256.390 0.846 20 0 CCADLP CCOC1CC(O)(C[NH2+][C@H]2C[N@@H+](CC)C[C@H]2C)C1 ZINC000444006570 389888087 /nfs/dbraw/zinc/88/80/87/389888087.db2.gz BAMGDFIPNRQSPV-ZIHBUVQPSA-N 2 2 256.390 0.846 20 0 CCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444183127 389895857 /nfs/dbraw/zinc/89/58/57/389895857.db2.gz MUGQYNGMCOJUDD-CZUORRHYSA-N 2 2 288.395 0.878 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000433168148 389902990 /nfs/dbraw/zinc/90/29/90/389902990.db2.gz LMQKTPQBCNURIG-AWEZNQCLSA-N 2 2 293.415 0.295 20 0 CCADLP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000419726425 389909331 /nfs/dbraw/zinc/90/93/31/389909331.db2.gz UOELYGQBPJBJSW-LBPRGKRZSA-N 2 2 295.387 0.023 20 0 CCADLP CC[N@H+](C)CCNc1nc(N[C@@H]2CCCOC2)cc[nH+]1 ZINC000435344474 389955462 /nfs/dbraw/zinc/95/54/62/389955462.db2.gz VNCQYMUDQFJNQB-GFCCVEGCSA-N 2 2 279.388 0.853 20 0 CCADLP CC[N@@H+](C)CCNc1nc(N[C@@H]2CCCOC2)cc[nH+]1 ZINC000435344474 389955464 /nfs/dbraw/zinc/95/54/64/389955464.db2.gz VNCQYMUDQFJNQB-GFCCVEGCSA-N 2 2 279.388 0.853 20 0 CCADLP Cc1cc(NC(=O)C[N@H+](C)[C@@H]2CCC[NH2+]CC2)n(C)n1 ZINC000435618816 389959154 /nfs/dbraw/zinc/95/91/54/389959154.db2.gz VARBEOIIVNANGQ-GFCCVEGCSA-N 2 2 279.388 0.741 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)n(C)n1 ZINC000435618816 389959157 /nfs/dbraw/zinc/95/91/57/389959157.db2.gz VARBEOIIVNANGQ-GFCCVEGCSA-N 2 2 279.388 0.741 20 0 CCADLP CC(C)c1nc(N(C)CC(=O)N2CC[NH2+]CC2)cc[nH+]1 ZINC000420153966 389959998 /nfs/dbraw/zinc/95/99/98/389959998.db2.gz RFQWAGCFSXKREB-UHFFFAOYSA-N 2 2 277.372 0.468 20 0 CCADLP CC[N@H+](CC(=O)N(C)[C@H](C)C[NH+]1CCOCC1)C1CC1 ZINC000447657796 389962011 /nfs/dbraw/zinc/96/20/11/389962011.db2.gz WGFYCBCWPFQBRA-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP CC[N@@H+](CC(=O)N(C)[C@H](C)C[NH+]1CCOCC1)C1CC1 ZINC000447657796 389962013 /nfs/dbraw/zinc/96/20/13/389962013.db2.gz WGFYCBCWPFQBRA-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP C[NH2+]CCC[N@@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000435875101 389964690 /nfs/dbraw/zinc/96/46/90/389964690.db2.gz BDOQNXPUNQCAHH-ZDUSSCGKSA-N 2 2 269.389 0.309 20 0 CCADLP C[NH2+]CCC[N@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000435875101 389964693 /nfs/dbraw/zinc/96/46/93/389964693.db2.gz BDOQNXPUNQCAHH-ZDUSSCGKSA-N 2 2 269.389 0.309 20 0 CCADLP [NH3+]CCCCNc1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000420231637 389969081 /nfs/dbraw/zinc/96/90/81/389969081.db2.gz KIMVNJMTLNQEOF-LBPRGKRZSA-N 2 2 279.388 0.979 20 0 CCADLP [NH3+]CCCCNc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000420231637 389969083 /nfs/dbraw/zinc/96/90/83/389969083.db2.gz KIMVNJMTLNQEOF-LBPRGKRZSA-N 2 2 279.388 0.979 20 0 CCADLP CCNc1nc(NC(C)(C)C)nc(NCCCC[NH3+])[nH+]1 ZINC000420232069 389969110 /nfs/dbraw/zinc/96/91/10/389969110.db2.gz LECHGVBPYMAHGD-UHFFFAOYSA-N 2 2 281.408 0.508 20 0 CCADLP CCNc1nc(NCCCC[NH3+])nc(NC(C)(C)C)[nH+]1 ZINC000420232069 389969111 /nfs/dbraw/zinc/96/91/11/389969111.db2.gz LECHGVBPYMAHGD-UHFFFAOYSA-N 2 2 281.408 0.508 20 0 CCADLP CCNc1nc(NCCCC[NH3+])[nH+]c(NC(C)(C)C)n1 ZINC000420232069 389969114 /nfs/dbraw/zinc/96/91/14/389969114.db2.gz LECHGVBPYMAHGD-UHFFFAOYSA-N 2 2 281.408 0.508 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433397096 389912143 /nfs/dbraw/zinc/91/21/43/389912143.db2.gz ICXDAWRYMCSDLD-SNVBAGLBSA-N 2 2 289.343 0.164 20 0 CCADLP CCC[C@@H](O)[C@H](CO)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000419801336 389917231 /nfs/dbraw/zinc/91/72/31/389917231.db2.gz ANMRLBUVWRRKIC-QWHCGFSZSA-N 2 2 263.341 0.946 20 0 CCADLP CC[C@@H](C(=O)N1CC[NH+](CCO)CC1)[NH+](CC)CC ZINC000445718988 389925142 /nfs/dbraw/zinc/92/51/42/389925142.db2.gz YDFJZCIHZGBDTE-ZDUSSCGKSA-N 2 2 271.405 0.243 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](O)C(C)(C)C2)CC1 ZINC000446066255 389929659 /nfs/dbraw/zinc/92/96/59/389929659.db2.gz JWKHRGQJYIPBAB-UONOGXRCSA-N 2 2 297.443 0.632 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](O)C(C)(C)C2)CC1 ZINC000446066255 389929660 /nfs/dbraw/zinc/92/96/60/389929660.db2.gz JWKHRGQJYIPBAB-UONOGXRCSA-N 2 2 297.443 0.632 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000446614274 389937824 /nfs/dbraw/zinc/93/78/24/389937824.db2.gz JXHQZUUSRRRCDV-UHFFFAOYSA-N 2 2 298.431 0.444 20 0 CCADLP COc1ccc2[nH+]c(C)nc(NC[C@@H]3C[NH2+]CCO3)c2c1 ZINC000420281470 389977489 /nfs/dbraw/zinc/97/74/89/389977489.db2.gz LZHAKIZWWRIKPX-LBPRGKRZSA-N 2 2 288.351 0.769 20 0 CCADLP COC(=O)c1cccc(OCC[N@H+](CC[NH3+])CCO)c1 ZINC000420315095 389982927 /nfs/dbraw/zinc/98/29/27/389982927.db2.gz WJMJBLJETGQZKI-UHFFFAOYSA-N 2 2 282.340 0.105 20 0 CCADLP COC(=O)c1cccc(OCC[N@@H+](CC[NH3+])CCO)c1 ZINC000420315095 389982928 /nfs/dbraw/zinc/98/29/28/389982928.db2.gz WJMJBLJETGQZKI-UHFFFAOYSA-N 2 2 282.340 0.105 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[NH2+]C[C@](C)(F)C2)CCO1 ZINC000420323122 389983470 /nfs/dbraw/zinc/98/34/70/389983470.db2.gz AUGXWTMXACGXOL-OLZOCXBDSA-N 2 2 259.369 0.341 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[NH2+]C[C@](C)(F)C2)CCO1 ZINC000420323122 389983471 /nfs/dbraw/zinc/98/34/71/389983471.db2.gz AUGXWTMXACGXOL-OLZOCXBDSA-N 2 2 259.369 0.341 20 0 CCADLP CCCCCNC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000420337197 389985566 /nfs/dbraw/zinc/98/55/66/389985566.db2.gz MXBTXIHMVBKQGU-STQMWFEESA-N 2 2 253.390 0.977 20 0 CCADLP CCCCCNC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000420337197 389985568 /nfs/dbraw/zinc/98/55/68/389985568.db2.gz MXBTXIHMVBKQGU-STQMWFEESA-N 2 2 253.390 0.977 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1CC[NH2+]C[C@](C)(F)C1 ZINC000420340771 389986106 /nfs/dbraw/zinc/98/61/06/389986106.db2.gz UJHKBCLHIPZDDQ-OLZOCXBDSA-N 2 2 259.369 0.341 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000420345149 389986784 /nfs/dbraw/zinc/98/67/84/389986784.db2.gz ZBSKJJSAELNZGC-UHFFFAOYSA-N 2 2 271.405 0.587 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000420345149 389986786 /nfs/dbraw/zinc/98/67/86/389986786.db2.gz ZBSKJJSAELNZGC-UHFFFAOYSA-N 2 2 271.405 0.587 20 0 CCADLP O=C(NCC[NH+]1CCCC1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000448609119 389988978 /nfs/dbraw/zinc/98/89/78/389988978.db2.gz ZBAKBVPPVYLYTE-OAHLLOKOSA-N 2 2 295.427 0.699 20 0 CCADLP O=C(NCC[NH+]1CCCC1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000448609119 389988981 /nfs/dbraw/zinc/98/89/81/389988981.db2.gz ZBAKBVPPVYLYTE-OAHLLOKOSA-N 2 2 295.427 0.699 20 0 CCADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)NC(=O)NCC(F)(F)F ZINC000420354938 389990193 /nfs/dbraw/zinc/99/01/93/389990193.db2.gz DPKRSASUQHOOIW-SSDOTTSWSA-N 2 2 298.309 0.338 20 0 CCADLP CCOc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000420353999 389990260 /nfs/dbraw/zinc/99/02/60/389990260.db2.gz NUSQIELWKDMVMA-DGCLKSJQSA-N 2 2 295.383 0.664 20 0 CCADLP CCOc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000420353999 389990262 /nfs/dbraw/zinc/99/02/62/389990262.db2.gz NUSQIELWKDMVMA-DGCLKSJQSA-N 2 2 295.383 0.664 20 0 CCADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCCNC(=O)[C@@H]2C)cc1 ZINC000420356715 389990653 /nfs/dbraw/zinc/99/06/53/389990653.db2.gz GUCODRLINLSZLM-GXTWGEPZSA-N 2 2 291.395 0.948 20 0 CCADLP COc1ccc([C@H](C[NH3+])C[N@H+]2CCCNC(=O)[C@@H]2C)cc1 ZINC000420356715 389990654 /nfs/dbraw/zinc/99/06/54/389990654.db2.gz GUCODRLINLSZLM-GXTWGEPZSA-N 2 2 291.395 0.948 20 0 CCADLP COC(=O)c1cc(C[N@H+](C)C[C@H](O)C[NH3+])c(C)s1 ZINC000420356156 389990701 /nfs/dbraw/zinc/99/07/01/389990701.db2.gz QOKXVKAICQVNMU-SNVBAGLBSA-N 2 2 272.370 0.595 20 0 CCADLP COC(=O)c1cc(C[N@@H+](C)C[C@H](O)C[NH3+])c(C)s1 ZINC000420356156 389990702 /nfs/dbraw/zinc/99/07/02/389990702.db2.gz QOKXVKAICQVNMU-SNVBAGLBSA-N 2 2 272.370 0.595 20 0 CCADLP C[C@@H]1C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C[C@H]1[NH3+] ZINC000420359582 389991354 /nfs/dbraw/zinc/99/13/54/389991354.db2.gz FXMKNQNXKDJKAZ-HTQZYQBOSA-N 2 2 296.293 0.044 20 0 CCADLP C[C@@H]1C[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)C[C@H]1[NH3+] ZINC000420359582 389991356 /nfs/dbraw/zinc/99/13/56/389991356.db2.gz FXMKNQNXKDJKAZ-HTQZYQBOSA-N 2 2 296.293 0.044 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH3+])[C@H]1CCCN(c2ccccc2)C1=O ZINC000420361062 389991449 /nfs/dbraw/zinc/99/14/49/389991449.db2.gz XTOKKYSZOAGBEY-KBPBESRZSA-N 2 2 277.368 0.433 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH3+])[C@H]1CCCN(c2ccccc2)C1=O ZINC000420361062 389991450 /nfs/dbraw/zinc/99/14/50/389991450.db2.gz XTOKKYSZOAGBEY-KBPBESRZSA-N 2 2 277.368 0.433 20 0 CCADLP CCOC(=O)[C@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000420361316 389992352 /nfs/dbraw/zinc/99/23/52/389992352.db2.gz NFLNJYSLPFUIFB-CYBMUJFWSA-N 2 2 269.389 0.309 20 0 CCADLP CC[C@@]1(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CCC[NH2+]1 ZINC000449657415 389994967 /nfs/dbraw/zinc/99/49/67/389994967.db2.gz OZPJOCQZQMAXBQ-JQWIXIFHSA-N 2 2 275.343 0.880 20 0 CCADLP Cn1c(C[NH2+][C@@H](C[NH3+])C2CCCCC2)cc(=O)n(C)c1=O ZINC000420382210 389995300 /nfs/dbraw/zinc/99/53/00/389995300.db2.gz ZMOXDOGXQBYMAQ-ZDUSSCGKSA-N 2 2 294.399 0.081 20 0 CCADLP CCC[C@](C)([NH2+]CCN1CC[NH2+]CC1)C(=O)OC ZINC000420382115 389995303 /nfs/dbraw/zinc/99/53/03/389995303.db2.gz YGHCFSPJZGSTLP-ZDUSSCGKSA-N 2 2 257.378 0.213 20 0 CCADLP CC(C)(C)CCNC(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420387566 389995592 /nfs/dbraw/zinc/99/55/92/389995592.db2.gz KJTHMQZUQLMNJG-GFCCVEGCSA-N 2 2 271.405 0.588 20 0 CCADLP CC(C)(C)CCNC(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420387566 389995594 /nfs/dbraw/zinc/99/55/94/389995594.db2.gz KJTHMQZUQLMNJG-GFCCVEGCSA-N 2 2 271.405 0.588 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](CC(=O)NCC2CCCCC2)CCCO1 ZINC000420396740 389996596 /nfs/dbraw/zinc/99/65/96/389996596.db2.gz WHZWQRNJFFKSBE-AWEZNQCLSA-N 2 2 283.416 0.733 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)NCC2CCCCC2)CCCO1 ZINC000420396740 389996597 /nfs/dbraw/zinc/99/65/97/389996597.db2.gz WHZWQRNJFFKSBE-AWEZNQCLSA-N 2 2 283.416 0.733 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](OC)[C@@H](C)C2)CC1 ZINC000451551347 390002822 /nfs/dbraw/zinc/00/28/22/390002822.db2.gz WEWHFMUUYRTLIT-SOUVJXGZSA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](OC)[C@@H](C)C2)CC1 ZINC000451551347 390002823 /nfs/dbraw/zinc/00/28/23/390002823.db2.gz WEWHFMUUYRTLIT-SOUVJXGZSA-N 2 2 297.443 0.896 20 0 CCADLP Cc1nc(N(C)[C@H]2CC[N@@H+](C3CC3)C2)nc(N(C)C)[nH+]1 ZINC000488420154 390093809 /nfs/dbraw/zinc/09/38/09/390093809.db2.gz PTBITGUIFFDQRZ-LBPRGKRZSA-N 2 2 276.388 0.919 20 0 CCADLP Cc1nc(N(C)[C@H]2CC[N@H+](C3CC3)C2)nc(N(C)C)[nH+]1 ZINC000488420154 390093810 /nfs/dbraw/zinc/09/38/10/390093810.db2.gz PTBITGUIFFDQRZ-LBPRGKRZSA-N 2 2 276.388 0.919 20 0 CCADLP Cc1nc(N[C@H]2CC[N@H+](C)[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000488428691 390093903 /nfs/dbraw/zinc/09/39/03/390093903.db2.gz DCNDMCDZPJNPJE-KOLCDFICSA-N 2 2 264.377 0.563 20 0 CCADLP Cc1nc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000488428691 390093904 /nfs/dbraw/zinc/09/39/04/390093904.db2.gz DCNDMCDZPJNPJE-KOLCDFICSA-N 2 2 264.377 0.563 20 0 CCADLP C[N@H+](CC(N)=O)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000488830676 390096581 /nfs/dbraw/zinc/09/65/81/390096581.db2.gz GXBGCEOBPBWKRJ-UHFFFAOYSA-N 2 2 267.295 0.820 20 0 CCADLP C[N@@H+](CC(N)=O)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000488830676 390096582 /nfs/dbraw/zinc/09/65/82/390096582.db2.gz GXBGCEOBPBWKRJ-UHFFFAOYSA-N 2 2 267.295 0.820 20 0 CCADLP C[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@@H]1CC1(C)C ZINC000489418108 390100153 /nfs/dbraw/zinc/10/01/53/390100153.db2.gz ZBXBLZVYHPWHBK-CYBMUJFWSA-N 2 2 297.443 0.944 20 0 CCADLP C[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@@H]1CC1(C)C ZINC000489418108 390100154 /nfs/dbraw/zinc/10/01/54/390100154.db2.gz ZBXBLZVYHPWHBK-CYBMUJFWSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)C1 ZINC000457717858 390048894 /nfs/dbraw/zinc/04/88/94/390048894.db2.gz JIKDANWZGLUPIW-ZDUSSCGKSA-N 2 2 251.374 0.822 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)C1 ZINC000457717858 390048895 /nfs/dbraw/zinc/04/88/95/390048895.db2.gz JIKDANWZGLUPIW-ZDUSSCGKSA-N 2 2 251.374 0.822 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)C[N@H+](C)[C@@H]2CCSC2)C1 ZINC000457726965 390048946 /nfs/dbraw/zinc/04/89/46/390048946.db2.gz SAHKXLFEKKTFHN-GFCCVEGCSA-N 2 2 271.430 0.633 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)C[N@@H+](C)[C@@H]2CCSC2)C1 ZINC000457726965 390048947 /nfs/dbraw/zinc/04/89/47/390048947.db2.gz SAHKXLFEKKTFHN-GFCCVEGCSA-N 2 2 271.430 0.633 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000493484302 390126762 /nfs/dbraw/zinc/12/67/62/390126762.db2.gz LJAICFFUWPEXJF-HEKLCECKSA-N 2 2 276.340 0.115 20 0 CCADLP CC(C)COCCCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000578969247 390129494 /nfs/dbraw/zinc/12/94/94/390129494.db2.gz URYONTGBYYKTHP-ZDUSSCGKSA-N 2 2 286.420 0.333 20 0 CCADLP CC(C)COCCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000578969247 390129495 /nfs/dbraw/zinc/12/94/95/390129495.db2.gz URYONTGBYYKTHP-ZDUSSCGKSA-N 2 2 286.420 0.333 20 0 CCADLP CC[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000579083358 390139725 /nfs/dbraw/zinc/13/97/25/390139725.db2.gz BGZVTXDCCNVOLX-KHMAMNHCSA-N 2 2 286.416 0.614 20 0 CCADLP CC[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000579083358 390139727 /nfs/dbraw/zinc/13/97/27/390139727.db2.gz BGZVTXDCCNVOLX-KHMAMNHCSA-N 2 2 286.416 0.614 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NCCNc1cc[nH+]cc1 ZINC000536019322 390157176 /nfs/dbraw/zinc/15/71/76/390157176.db2.gz VNEYOPQYGJHLQA-UHFFFAOYSA-N 2 2 274.328 0.148 20 0 CCADLP O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000579597413 390189745 /nfs/dbraw/zinc/18/97/45/390189745.db2.gz MPBMBLKGJJQLQB-LSDHHAIUSA-N 2 2 298.346 0.685 20 0 CCADLP CS(=O)(=O)CCC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814903 390178994 /nfs/dbraw/zinc/17/89/94/390178994.db2.gz KIDAAVGKGLTWEE-UHFFFAOYSA-N 2 2 260.403 0.638 20 0 CCADLP CS(=O)(=O)CCC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814903 390178997 /nfs/dbraw/zinc/17/89/97/390178997.db2.gz KIDAAVGKGLTWEE-UHFFFAOYSA-N 2 2 260.403 0.638 20 0 CCADLP C[N@@H+]1CCO[C@H](CSCC[NH+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000579710047 390200481 /nfs/dbraw/zinc/20/04/81/390200481.db2.gz WQPGIARDBKYUHE-MJBXVCDLSA-N 2 2 286.441 0.913 20 0 CCADLP C[N@H+]1CCO[C@H](CSCC[NH+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000579710047 390200483 /nfs/dbraw/zinc/20/04/83/390200483.db2.gz WQPGIARDBKYUHE-MJBXVCDLSA-N 2 2 286.441 0.913 20 0 CCADLP C[NH+]1CCO[C@H](CSCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000579710047 390200484 /nfs/dbraw/zinc/20/04/84/390200484.db2.gz WQPGIARDBKYUHE-MJBXVCDLSA-N 2 2 286.441 0.913 20 0 CCADLP C[NH+]1CCO[C@H](CSCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000579710047 390200486 /nfs/dbraw/zinc/20/04/86/390200486.db2.gz WQPGIARDBKYUHE-MJBXVCDLSA-N 2 2 286.441 0.913 20 0 CCADLP CNC(=O)NC(=O)CC[N@@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000579714653 390202219 /nfs/dbraw/zinc/20/22/19/390202219.db2.gz JUYJSEZKOBHVBJ-ZDUSSCGKSA-N 2 2 290.367 0.390 20 0 CCADLP CNC(=O)NC(=O)CC[N@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000579714653 390202221 /nfs/dbraw/zinc/20/22/21/390202221.db2.gz JUYJSEZKOBHVBJ-ZDUSSCGKSA-N 2 2 290.367 0.390 20 0 CCADLP C[N@@H+]1CCN(C(=O)c2cccc3ccncc32)[C@@H](C[NH3+])C1 ZINC000647874190 390202584 /nfs/dbraw/zinc/20/25/84/390202584.db2.gz FTJIUPADVXYYNB-ZDUSSCGKSA-N 2 2 284.363 0.950 20 0 CCADLP C[N@H+]1CCN(C(=O)c2cccc3ccncc32)[C@@H](C[NH3+])C1 ZINC000647874190 390202586 /nfs/dbraw/zinc/20/25/86/390202586.db2.gz FTJIUPADVXYYNB-ZDUSSCGKSA-N 2 2 284.363 0.950 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCc3[nH+]c[nH]c3C2)CC1 ZINC000647932885 390221117 /nfs/dbraw/zinc/22/11/17/390221117.db2.gz TZFXESMPGKQTRD-GFCCVEGCSA-N 2 2 291.399 0.320 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000647936244 390221924 /nfs/dbraw/zinc/22/19/24/390221924.db2.gz ABVYPJSOXAGOLM-KGLIPLIRSA-N 2 2 285.432 0.979 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000647936244 390221928 /nfs/dbraw/zinc/22/19/28/390221928.db2.gz ABVYPJSOXAGOLM-KGLIPLIRSA-N 2 2 285.432 0.979 20 0 CCADLP CNC(=O)CCC[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000579609115 390192283 /nfs/dbraw/zinc/19/22/83/390192283.db2.gz NVBGERDCNCOYFE-GJZGRUSLSA-N 2 2 296.459 0.470 20 0 CCADLP CNC(=O)CCC[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000579609115 390192285 /nfs/dbraw/zinc/19/22/85/390192285.db2.gz NVBGERDCNCOYFE-GJZGRUSLSA-N 2 2 296.459 0.470 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1C[N@H+](CCC(=O)NC2CCCC2)CCO1 ZINC000647863438 390196664 /nfs/dbraw/zinc/19/66/64/390196664.db2.gz BRIGNPUHSPAZMV-YPMHNXCESA-N 2 2 269.389 0.483 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CCC(=O)NC2CCCC2)CCO1 ZINC000647863438 390196666 /nfs/dbraw/zinc/19/66/66/390196666.db2.gz BRIGNPUHSPAZMV-YPMHNXCESA-N 2 2 269.389 0.483 20 0 CCADLP CC[C@H](C)NC(=O)CN1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647988490 390240230 /nfs/dbraw/zinc/24/02/30/390240230.db2.gz RJOSSQZKFJTYBT-KBPBESRZSA-N 2 2 282.432 0.128 20 0 CCADLP CC[C@H](C)NC(=O)C[NH+]1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000647988490 390240232 /nfs/dbraw/zinc/24/02/32/390240232.db2.gz RJOSSQZKFJTYBT-KBPBESRZSA-N 2 2 282.432 0.128 20 0 CCADLP C[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)S(C)(=O)=O ZINC000644514836 390242002 /nfs/dbraw/zinc/24/20/02/390242002.db2.gz PGXNWNYDHYAVMI-JTQLQIEISA-N 2 2 260.403 0.636 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000647971460 390234910 /nfs/dbraw/zinc/23/49/10/390234910.db2.gz JMKOEKWTFWPRNV-HNNXBMFYSA-N 2 2 297.443 0.678 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000647971460 390234913 /nfs/dbraw/zinc/23/49/13/390234913.db2.gz JMKOEKWTFWPRNV-HNNXBMFYSA-N 2 2 297.443 0.678 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CN(C)C(=O)O1 ZINC000496083440 390296902 /nfs/dbraw/zinc/29/69/02/390296902.db2.gz QSWJTBWRZAIKQN-AGIUHOORSA-N 2 2 267.373 0.996 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CN(C)C(=O)O1 ZINC000496083440 390296904 /nfs/dbraw/zinc/29/69/04/390296904.db2.gz QSWJTBWRZAIKQN-AGIUHOORSA-N 2 2 267.373 0.996 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CN(C)C(=O)O1 ZINC000496083440 390296908 /nfs/dbraw/zinc/29/69/08/390296908.db2.gz QSWJTBWRZAIKQN-AGIUHOORSA-N 2 2 267.373 0.996 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CN(C)C(=O)O1 ZINC000496083440 390296910 /nfs/dbraw/zinc/29/69/10/390296910.db2.gz QSWJTBWRZAIKQN-AGIUHOORSA-N 2 2 267.373 0.996 20 0 CCADLP COC[C@H](O)C[NH2+]CCc1cn2cccc(C)c2[nH+]1 ZINC000644581639 390258270 /nfs/dbraw/zinc/25/82/70/390258270.db2.gz LKTJNVGVXVKXMJ-CYBMUJFWSA-N 2 2 263.341 0.782 20 0 CCADLP [NH3+]C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)C1CC1 ZINC000582240064 390271887 /nfs/dbraw/zinc/27/18/87/390271887.db2.gz ONSYUKOJFHAKLK-NSHDSACASA-N 2 2 272.312 0.129 20 0 CCADLP CC[C@@H]([NH3+])C(=O)Nc1ccc(-c2n[nH]c(C[NH3+])n2)cc1 ZINC000582240491 390273530 /nfs/dbraw/zinc/27/35/30/390273530.db2.gz SNIXAAACODUFFO-SNVBAGLBSA-N 2 2 274.328 0.606 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@H]2CCCOC2)C[C@@H](C)O1 ZINC000644648516 390276400 /nfs/dbraw/zinc/27/64/00/390276400.db2.gz MVRBHBIEAGSKHO-YIYPIFLZSA-N 2 2 272.389 0.225 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)NCCCCn1cc[nH+]c1 ZINC000583311264 390282104 /nfs/dbraw/zinc/28/21/04/390282104.db2.gz KOXWTBDIHVHMOQ-GFCCVEGCSA-N 2 2 267.377 0.961 20 0 CCADLP C[C@H](CC(=O)NCC[NH+]1CCC(O)CC1)n1cc[nH+]c1 ZINC000583327436 390285149 /nfs/dbraw/zinc/28/51/49/390285149.db2.gz NXITYDPSUAIJCL-GFCCVEGCSA-N 2 2 280.372 0.407 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)n1C ZINC000583452172 390286776 /nfs/dbraw/zinc/28/67/76/390286776.db2.gz VLXVSOBVSQANAR-WCQYABFASA-N 2 2 262.357 0.972 20 0 CCADLP CCSCC[C@@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593910579 390366877 /nfs/dbraw/zinc/36/68/77/390366877.db2.gz XYIDSJJBSLGTFY-GHMZBOCLSA-N 2 2 261.435 0.913 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC2(C)CCCC2)[C@H](C[NH3+])C1 ZINC000583801828 390312074 /nfs/dbraw/zinc/31/20/74/390312074.db2.gz SCIKZWVMMNLPMJ-GFCCVEGCSA-N 2 2 268.405 0.851 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000583866775 390317488 /nfs/dbraw/zinc/31/74/88/390317488.db2.gz GWOLIWOUQFRIOL-MRXNPFEDSA-N 3 2 281.444 0.906 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000583866775 390317492 /nfs/dbraw/zinc/31/74/92/390317492.db2.gz GWOLIWOUQFRIOL-MRXNPFEDSA-N 3 2 281.444 0.906 20 0 CCADLP COC(=O)N1CCC([NH2+]CC2([NH+](C)C)CC2)CC1 ZINC000496246014 390325849 /nfs/dbraw/zinc/32/58/49/390325849.db2.gz POLDVCFBSGZZQU-UHFFFAOYSA-N 2 2 255.362 0.901 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000644900426 390342019 /nfs/dbraw/zinc/34/20/19/390342019.db2.gz CSFVXVZMNDYFKR-GFCCVEGCSA-N 2 2 278.356 0.984 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000644900426 390342023 /nfs/dbraw/zinc/34/20/23/390342023.db2.gz CSFVXVZMNDYFKR-GFCCVEGCSA-N 2 2 278.356 0.984 20 0 CCADLP CCCCNc1cc(NCC[N@@H+]2CC[C@@H](O)C2)nc(N)[nH+]1 ZINC000624680665 390401877 /nfs/dbraw/zinc/40/18/77/390401877.db2.gz LOKZAVIEJYBWQM-LLVKDONJSA-N 2 2 294.403 0.002 20 0 CCADLP CCCCNc1cc(NCC[N@H+]2CC[C@@H](O)C2)nc(N)[nH+]1 ZINC000624680665 390401882 /nfs/dbraw/zinc/40/18/82/390401882.db2.gz LOKZAVIEJYBWQM-LLVKDONJSA-N 2 2 294.403 0.002 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648774404 390406004 /nfs/dbraw/zinc/40/60/04/390406004.db2.gz WJXUZMMYKZZIJI-MGPQQGTHSA-N 2 2 282.432 0.079 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648774404 390406007 /nfs/dbraw/zinc/40/60/07/390406007.db2.gz WJXUZMMYKZZIJI-MGPQQGTHSA-N 2 2 282.432 0.079 20 0 CCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000648798640 390412316 /nfs/dbraw/zinc/41/23/16/390412316.db2.gz RQCAAIDBVVXBFI-RBSFLKMASA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC[N@H+]1C ZINC000648798640 390412318 /nfs/dbraw/zinc/41/23/18/390412318.db2.gz RQCAAIDBVVXBFI-RBSFLKMASA-N 2 2 295.427 0.650 20 0 CCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@@]1(C)CCCO1 ZINC000645398983 390419796 /nfs/dbraw/zinc/41/97/96/390419796.db2.gz VDHDIAZHGKKPCC-GXTWGEPZSA-N 2 2 269.389 0.308 20 0 CCADLP C[NH+](C)CCOCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000554217895 390423437 /nfs/dbraw/zinc/42/34/37/390423437.db2.gz AKLPQWKLONHGCI-LBPRGKRZSA-N 2 2 280.372 0.140 20 0 CCADLP CC1CC[NH+](C[C@H](O)CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC000554495847 390428196 /nfs/dbraw/zinc/42/81/96/390428196.db2.gz QWYJMBBZYNZLDZ-CQSZACIVSA-N 2 2 294.399 0.172 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)CC(C)(C)[NH3+] ZINC000645492473 390437379 /nfs/dbraw/zinc/43/73/79/390437379.db2.gz SLAQDLHRCXNGFJ-UHFFFAOYSA-N 2 2 250.346 0.891 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)Nc1nc(N)[nH+]c2c1CCCC2 ZINC000645123164 390374942 /nfs/dbraw/zinc/37/49/42/390374942.db2.gz RPRULDAEYUMPRT-LLVKDONJSA-N 2 2 291.399 0.322 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648735264 390397977 /nfs/dbraw/zinc/39/79/77/390397977.db2.gz IACXKVBDSWWLBM-JHJVBQTASA-N 2 2 269.389 0.164 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648735264 390397982 /nfs/dbraw/zinc/39/79/82/390397982.db2.gz IACXKVBDSWWLBM-JHJVBQTASA-N 2 2 269.389 0.164 20 0 CCADLP CC[C@@H](O)C[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000518560134 390494382 /nfs/dbraw/zinc/49/43/82/390494382.db2.gz RQVLBMPTZOEOKG-GXTWGEPZSA-N 2 2 256.390 0.942 20 0 CCADLP CC[C@@H](O)C[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000518560134 390494385 /nfs/dbraw/zinc/49/43/85/390494385.db2.gz RQVLBMPTZOEOKG-GXTWGEPZSA-N 2 2 256.390 0.942 20 0 CCADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000565482284 390517912 /nfs/dbraw/zinc/51/79/12/390517912.db2.gz YGPLQCBYRQUCEN-HNNXBMFYSA-N 2 2 291.399 0.206 20 0 CCADLP c1n[nH]c([C@@H]([NH2+]CCN2CC[NH2+]CC2)C2CCCCC2)n1 ZINC000565357342 390505160 /nfs/dbraw/zinc/50/51/60/390505160.db2.gz FCJXYJNNAIPNQU-AWEZNQCLSA-N 2 2 292.431 0.921 20 0 CCADLP C[C@H](N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000643452309 390447896 /nfs/dbraw/zinc/44/78/96/390447896.db2.gz FMIHMPGWWGHREN-DZKIICNBSA-N 3 2 280.460 0.885 20 0 CCADLP C[C@H](N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000643452309 390447898 /nfs/dbraw/zinc/44/78/98/390447898.db2.gz FMIHMPGWWGHREN-DZKIICNBSA-N 3 2 280.460 0.885 20 0 CCADLP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000643452309 390447901 /nfs/dbraw/zinc/44/79/01/390447901.db2.gz FMIHMPGWWGHREN-DZKIICNBSA-N 3 2 280.460 0.885 20 0 CCADLP C[C@H](N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCC[NH2+]1 ZINC000643452315 390448142 /nfs/dbraw/zinc/44/81/42/390448142.db2.gz FMIHMPGWWGHREN-SQWLQELKSA-N 3 2 280.460 0.885 20 0 CCADLP C[C@H](N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCC[NH2+]1 ZINC000643452315 390448144 /nfs/dbraw/zinc/44/81/44/390448144.db2.gz FMIHMPGWWGHREN-SQWLQELKSA-N 3 2 280.460 0.885 20 0 CCADLP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CCC[NH2+]1 ZINC000643452315 390448147 /nfs/dbraw/zinc/44/81/47/390448147.db2.gz FMIHMPGWWGHREN-SQWLQELKSA-N 3 2 280.460 0.885 20 0 CCADLP [NH3+]CC1(CC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000643595244 390465085 /nfs/dbraw/zinc/46/50/85/390465085.db2.gz LVPYCSAFIDXYBR-GFCCVEGCSA-N 2 2 274.368 0.906 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)COCC[NH3+])cn2c1 ZINC000645662059 390467951 /nfs/dbraw/zinc/46/79/51/390467951.db2.gz SLXJNISPUSZRNB-UHFFFAOYSA-N 2 2 262.313 0.234 20 0 CCADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCN2CCNC2=O)CC1 ZINC000519604778 390516736 /nfs/dbraw/zinc/51/67/36/390516736.db2.gz IFMJRYAHKLEKFL-CYBMUJFWSA-N 2 2 296.415 0.197 20 0 CCADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCN2CCNC2=O)CC1 ZINC000519604778 390516739 /nfs/dbraw/zinc/51/67/39/390516739.db2.gz IFMJRYAHKLEKFL-CYBMUJFWSA-N 2 2 296.415 0.197 20 0 CCADLP CO[C@@H]1COC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000646042633 390581078 /nfs/dbraw/zinc/58/10/78/390581078.db2.gz HWEDTSKEARQXGN-BZUAXINKSA-N 2 2 294.395 0.483 20 0 CCADLP CO[C@@H]1COC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000646042633 390581082 /nfs/dbraw/zinc/58/10/82/390581082.db2.gz HWEDTSKEARQXGN-BZUAXINKSA-N 2 2 294.395 0.483 20 0 CCADLP CC[C@H](C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)OC ZINC000566129512 390582210 /nfs/dbraw/zinc/58/22/10/390582210.db2.gz HCYILFMFZYLKRA-RFQIPJPRSA-N 2 2 274.405 0.471 20 0 CCADLP CC[C@H](C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)OC ZINC000566129512 390582213 /nfs/dbraw/zinc/58/22/13/390582213.db2.gz HCYILFMFZYLKRA-RFQIPJPRSA-N 2 2 274.405 0.471 20 0 CCADLP O=C1C[C@H]([N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C(=O)N1 ZINC000520604866 390584705 /nfs/dbraw/zinc/58/47/05/390584705.db2.gz ZZSKJOOWSIMXLH-WXHSDQCUSA-N 2 2 277.368 0.350 20 0 CCADLP O=C1C[C@H]([N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C(=O)N1 ZINC000520604866 390584707 /nfs/dbraw/zinc/58/47/07/390584707.db2.gz ZZSKJOOWSIMXLH-WXHSDQCUSA-N 2 2 277.368 0.350 20 0 CCADLP O=C1C[C@H]([NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C(=O)N1 ZINC000520604866 390584709 /nfs/dbraw/zinc/58/47/09/390584709.db2.gz ZZSKJOOWSIMXLH-WXHSDQCUSA-N 2 2 277.368 0.350 20 0 CCADLP O=C1C[C@H]([NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C(=O)N1 ZINC000520604866 390584712 /nfs/dbraw/zinc/58/47/12/390584712.db2.gz ZZSKJOOWSIMXLH-WXHSDQCUSA-N 2 2 277.368 0.350 20 0 CCADLP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000649211612 390523930 /nfs/dbraw/zinc/52/39/30/390523930.db2.gz XIMRSGPDWHMJPJ-CHWSQXEVSA-N 2 2 276.384 0.904 20 0 CCADLP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000649211612 390523934 /nfs/dbraw/zinc/52/39/34/390523934.db2.gz XIMRSGPDWHMJPJ-CHWSQXEVSA-N 2 2 276.384 0.904 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC000649215413 390525282 /nfs/dbraw/zinc/52/52/82/390525282.db2.gz OAAUMHRRKOPXAH-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC000649215413 390525288 /nfs/dbraw/zinc/52/52/88/390525288.db2.gz OAAUMHRRKOPXAH-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCCC2(F)F)[C@@H](C[NH3+])C1 ZINC000519756127 390538380 /nfs/dbraw/zinc/53/83/80/390538380.db2.gz SAJJSFMEZRIKRA-QWRGUYRKSA-N 2 2 290.358 0.706 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCCC2(F)F)[C@@H](C[NH3+])C1 ZINC000519756127 390538383 /nfs/dbraw/zinc/53/83/83/390538383.db2.gz SAJJSFMEZRIKRA-QWRGUYRKSA-N 2 2 290.358 0.706 20 0 CCADLP CC[C@H](O)[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000520248134 390562171 /nfs/dbraw/zinc/56/21/71/390562171.db2.gz QAPICDZZWTYCJU-ZNMIVQPWSA-N 2 2 288.432 0.551 20 0 CCADLP CC[C@H](O)[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000520248134 390562173 /nfs/dbraw/zinc/56/21/73/390562173.db2.gz QAPICDZZWTYCJU-ZNMIVQPWSA-N 2 2 288.432 0.551 20 0 CCADLP CC[C@H](O)[C@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)CCOC ZINC000520248134 390562174 /nfs/dbraw/zinc/56/21/74/390562174.db2.gz QAPICDZZWTYCJU-ZNMIVQPWSA-N 2 2 288.432 0.551 20 0 CCADLP CC[C@H](O)[C@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)CCOC ZINC000520248134 390562176 /nfs/dbraw/zinc/56/21/76/390562176.db2.gz QAPICDZZWTYCJU-ZNMIVQPWSA-N 2 2 288.432 0.551 20 0 CCADLP COC[C@@]1(C(=O)Nc2c[nH+]ccc2OC)CCC[NH2+]1 ZINC000649312120 390571325 /nfs/dbraw/zinc/57/13/25/390571325.db2.gz RJCULORQMDVSMU-CYBMUJFWSA-N 2 2 265.313 0.797 20 0 CCADLP C[C@H](CNC(=O)CC1([NH3+])CCC1)[NH+]1CCN(C)CC1 ZINC000646026941 390575787 /nfs/dbraw/zinc/57/57/87/390575787.db2.gz DQJHHCGXKUSLEF-GFCCVEGCSA-N 2 2 268.405 0.010 20 0 CCADLP C[C@@H]1C[C@H](N(C)C(=O)Cn2cc[nH+]c2)CC[N@@H+]1C ZINC000522050192 390624079 /nfs/dbraw/zinc/62/40/79/390624079.db2.gz ZUVHRNJLIGPEEY-VXGBXAGGSA-N 2 2 250.346 0.824 20 0 CCADLP C[C@@H]1C[C@H](N(C)C(=O)Cn2cc[nH+]c2)CC[N@H+]1C ZINC000522050192 390624082 /nfs/dbraw/zinc/62/40/82/390624082.db2.gz ZUVHRNJLIGPEEY-VXGBXAGGSA-N 2 2 250.346 0.824 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000566696886 390640014 /nfs/dbraw/zinc/64/00/14/390640014.db2.gz WPOPRYPRKZMZCH-JTQLQIEISA-N 2 2 274.328 0.342 20 0 CCADLP Cc1cccc(C)c1NCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000566737088 390642450 /nfs/dbraw/zinc/64/24/50/390642450.db2.gz XSNLSXFOFFKQOB-AWEZNQCLSA-N 2 2 290.411 0.817 20 0 CCADLP Cc1cccc(C)c1NCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000566737088 390642452 /nfs/dbraw/zinc/64/24/52/390642452.db2.gz XSNLSXFOFFKQOB-AWEZNQCLSA-N 2 2 290.411 0.817 20 0 CCADLP COC[C@H]([NH3+])C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000262356190 285383416 /nfs/dbraw/zinc/38/34/16/285383416.db2.gz VAWQODOPHZJGCU-ZJUUUORDSA-N 2 2 252.318 0.089 20 0 CCADLP CC(=O)N1CCC([NH2+]CC[N@H+]2CC[C@H](C)C2)CC1 ZINC000524771460 390654538 /nfs/dbraw/zinc/65/45/38/390654538.db2.gz WMNWSJZKQLSQQD-LBPRGKRZSA-N 2 2 253.390 0.929 20 0 CCADLP CC(=O)N1CCC([NH2+]CC[N@@H+]2CC[C@H](C)C2)CC1 ZINC000524771460 390654543 /nfs/dbraw/zinc/65/45/43/390654543.db2.gz WMNWSJZKQLSQQD-LBPRGKRZSA-N 2 2 253.390 0.929 20 0 CCADLP CC(=O)NC1CC[NH+](Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000643886072 390594447 /nfs/dbraw/zinc/59/44/47/390594447.db2.gz JVBFADXFDICLED-UHFFFAOYSA-N 2 2 279.388 0.587 20 0 CCADLP C[C@@H](CNC(=O)c1ccc(C[NH3+])o1)C[NH+]1CCN(C)CC1 ZINC000646108316 390600943 /nfs/dbraw/zinc/60/09/43/390600943.db2.gz RNARQDZMSXYVTI-LBPRGKRZSA-N 2 2 294.399 0.352 20 0 CCADLP C[C@@H](CNC(=O)c1ccc(C[NH3+])o1)CN1CC[NH+](C)CC1 ZINC000646108316 390600946 /nfs/dbraw/zinc/60/09/46/390600946.db2.gz RNARQDZMSXYVTI-LBPRGKRZSA-N 2 2 294.399 0.352 20 0 CCADLP C[C@@H](CC(=O)N1CCN(c2[nH]cc[nH+]2)CC1)n1cc[nH+]c1 ZINC000566447927 390610313 /nfs/dbraw/zinc/61/03/13/390610313.db2.gz QBRCHXTULGJKJS-LBPRGKRZSA-N 2 2 288.355 0.906 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000521565592 390610790 /nfs/dbraw/zinc/61/07/90/390610790.db2.gz WWLXUVZBDOEUCY-UHFFFAOYSA-N 2 2 286.339 0.485 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000566461438 390614758 /nfs/dbraw/zinc/61/47/58/390614758.db2.gz MZDOEVWRISCKQV-GXTWGEPZSA-N 2 2 294.399 0.551 20 0 CCADLP C[NH+]1CCC([N@H+](CCO)CC[C@H]2CCOC2)CC1 ZINC000527356216 390702818 /nfs/dbraw/zinc/70/28/18/390702818.db2.gz QLOIBEBBLMSBRO-ZDUSSCGKSA-N 2 2 256.390 0.802 20 0 CCADLP C[NH+]1CCC([N@@H+](CCO)CC[C@H]2CCOC2)CC1 ZINC000527356216 390702820 /nfs/dbraw/zinc/70/28/20/390702820.db2.gz QLOIBEBBLMSBRO-ZDUSSCGKSA-N 2 2 256.390 0.802 20 0 CCADLP O=C(NCC[NH2+]C1CC1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000646686817 390709205 /nfs/dbraw/zinc/70/92/05/390709205.db2.gz UPEIZWYFPYZCHL-UHFFFAOYSA-N 2 2 272.312 0.144 20 0 CCADLP C[C@@H](C[NH3+])N(C)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000646752371 390716376 /nfs/dbraw/zinc/71/63/76/390716376.db2.gz XTMFBCHVDAFYNM-VIFPVBQESA-N 2 2 263.332 0.769 20 0 CCADLP O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CCn2cc[nH+]c2C1 ZINC000527595923 390717246 /nfs/dbraw/zinc/71/72/46/390717246.db2.gz XQETZFPQHMLTLW-VXGBXAGGSA-N 2 2 274.368 0.846 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000527721012 390720008 /nfs/dbraw/zinc/72/00/08/390720008.db2.gz MUYVXLCMWUDUJT-AWEZNQCLSA-N 2 2 294.399 0.665 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000527721012 390720010 /nfs/dbraw/zinc/72/00/10/390720010.db2.gz MUYVXLCMWUDUJT-AWEZNQCLSA-N 2 2 294.399 0.665 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCCc2ccccn2)[C@H](C[NH3+])C1 ZINC000646833202 390725677 /nfs/dbraw/zinc/72/56/77/390725677.db2.gz PQTBUUYRFQTTSJ-CQSZACIVSA-N 2 2 276.384 0.506 20 0 CCADLP C[N@H+]1CCN(C(=O)CCCc2ccccn2)[C@H](C[NH3+])C1 ZINC000646833202 390725679 /nfs/dbraw/zinc/72/56/79/390725679.db2.gz PQTBUUYRFQTTSJ-CQSZACIVSA-N 2 2 276.384 0.506 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2C[C@H](O)C2(C)C)C[C@H](C)O1 ZINC000567235438 390681563 /nfs/dbraw/zinc/68/15/63/390681563.db2.gz KOZYSOLDKRNOBJ-ITGHMWBKSA-N 2 2 286.416 0.206 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2C[C@H](O)C2(C)C)C[C@H](C)O1 ZINC000567235438 390681564 /nfs/dbraw/zinc/68/15/64/390681564.db2.gz KOZYSOLDKRNOBJ-ITGHMWBKSA-N 2 2 286.416 0.206 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](n2cccn2)C1 ZINC000567246741 390683129 /nfs/dbraw/zinc/68/31/29/390683129.db2.gz TYALDYPPXBYMOC-UONOGXRCSA-N 2 2 282.388 0.069 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](n2cccn2)C1 ZINC000567246741 390683131 /nfs/dbraw/zinc/68/31/31/390683131.db2.gz TYALDYPPXBYMOC-UONOGXRCSA-N 2 2 282.388 0.069 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000567246741 390683134 /nfs/dbraw/zinc/68/31/34/390683134.db2.gz TYALDYPPXBYMOC-UONOGXRCSA-N 2 2 282.388 0.069 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC2(C1)CCOCC2 ZINC000567249555 390683950 /nfs/dbraw/zinc/68/39/50/390683950.db2.gz KGWYXTOAZBBCKL-ZDUSSCGKSA-N 2 2 256.390 0.800 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC2(C1)CCOCC2 ZINC000567249555 390683951 /nfs/dbraw/zinc/68/39/51/390683951.db2.gz KGWYXTOAZBBCKL-ZDUSSCGKSA-N 2 2 256.390 0.800 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC2(C1)CCOCC2 ZINC000567249554 390684202 /nfs/dbraw/zinc/68/42/02/390684202.db2.gz KGWYXTOAZBBCKL-CYBMUJFWSA-N 2 2 256.390 0.800 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC2(C1)CCOCC2 ZINC000567249554 390684204 /nfs/dbraw/zinc/68/42/04/390684204.db2.gz KGWYXTOAZBBCKL-CYBMUJFWSA-N 2 2 256.390 0.800 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C[C@@H](C)C(=O)OC)C1CC1 ZINC000571341634 390731873 /nfs/dbraw/zinc/73/18/73/390731873.db2.gz PCRZQLNSTRZMIW-DGCLKSJQSA-N 2 2 272.389 0.573 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C[C@@H](C)C(=O)OC)C1CC1 ZINC000571341634 390731875 /nfs/dbraw/zinc/73/18/75/390731875.db2.gz PCRZQLNSTRZMIW-DGCLKSJQSA-N 2 2 272.389 0.573 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C[C@@H](C)C(=O)OC)C1CC1 ZINC000571341634 390731877 /nfs/dbraw/zinc/73/18/77/390731877.db2.gz PCRZQLNSTRZMIW-DGCLKSJQSA-N 2 2 272.389 0.573 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C[C@@H](C)C(=O)OC)C1CC1 ZINC000571341634 390731878 /nfs/dbraw/zinc/73/18/78/390731878.db2.gz PCRZQLNSTRZMIW-DGCLKSJQSA-N 2 2 272.389 0.573 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)n1C ZINC000567292503 390691889 /nfs/dbraw/zinc/69/18/89/390691889.db2.gz RVUDNNSQPZSUTG-TZMCWYRMSA-N 2 2 262.357 0.875 20 0 CCADLP [NH3+]CCCNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000646585195 390697805 /nfs/dbraw/zinc/69/78/05/390697805.db2.gz CBUANGMRIMVKII-UHFFFAOYSA-N 2 2 272.352 0.939 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC000567485383 390700629 /nfs/dbraw/zinc/70/06/29/390700629.db2.gz DPRHNVLVLIPKPF-XQQFMLRXSA-N 2 2 294.399 0.502 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC000567485383 390700631 /nfs/dbraw/zinc/70/06/31/390700631.db2.gz DPRHNVLVLIPKPF-XQQFMLRXSA-N 2 2 294.399 0.502 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000567485383 390700633 /nfs/dbraw/zinc/70/06/33/390700633.db2.gz DPRHNVLVLIPKPF-XQQFMLRXSA-N 2 2 294.399 0.502 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000567485383 390700634 /nfs/dbraw/zinc/70/06/34/390700634.db2.gz DPRHNVLVLIPKPF-XQQFMLRXSA-N 2 2 294.399 0.502 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000567483093 390700891 /nfs/dbraw/zinc/70/08/91/390700891.db2.gz KIOYDVOQNPUJML-HIFRSBDPSA-N 2 2 286.416 0.569 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000567483093 390700892 /nfs/dbraw/zinc/70/08/92/390700892.db2.gz KIOYDVOQNPUJML-HIFRSBDPSA-N 2 2 286.416 0.569 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000567483093 390700894 /nfs/dbraw/zinc/70/08/94/390700894.db2.gz KIOYDVOQNPUJML-HIFRSBDPSA-N 2 2 286.416 0.569 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000567483093 390700896 /nfs/dbraw/zinc/70/08/96/390700896.db2.gz KIOYDVOQNPUJML-HIFRSBDPSA-N 2 2 286.416 0.569 20 0 CCADLP C[C@@H](C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+]1CC(C)C1 ZINC000567486835 390701286 /nfs/dbraw/zinc/70/12/86/390701286.db2.gz WDPIUAMDEDWLDA-MELADBBJSA-N 2 2 281.400 0.306 20 0 CCADLP C[C@@H](C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+]1CC(C)C1 ZINC000567486835 390701289 /nfs/dbraw/zinc/70/12/89/390701289.db2.gz WDPIUAMDEDWLDA-MELADBBJSA-N 2 2 281.400 0.306 20 0 CCADLP O=C(N[C@H]1CCC[NH2+]CC1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000646986591 390753258 /nfs/dbraw/zinc/75/32/58/390753258.db2.gz KPOMATYOCNBHCO-DZGCQCFKSA-N 2 2 295.427 0.888 20 0 CCADLP O=C(N[C@H]1CCC[NH2+]CC1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000646986591 390753261 /nfs/dbraw/zinc/75/32/61/390753261.db2.gz KPOMATYOCNBHCO-DZGCQCFKSA-N 2 2 295.427 0.888 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1CCC[C@H]1O ZINC000571815649 390754556 /nfs/dbraw/zinc/75/45/56/390754556.db2.gz IQCMNVPVFVZICJ-MELADBBJSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1CCC[C@H]1O ZINC000571815649 390754558 /nfs/dbraw/zinc/75/45/58/390754558.db2.gz IQCMNVPVFVZICJ-MELADBBJSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000571815649 390754560 /nfs/dbraw/zinc/75/45/60/390754560.db2.gz IQCMNVPVFVZICJ-MELADBBJSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@@H]1CCC[C@H]1O ZINC000571815649 390754562 /nfs/dbraw/zinc/75/45/62/390754562.db2.gz IQCMNVPVFVZICJ-MELADBBJSA-N 2 2 274.405 0.018 20 0 CCADLP COc1ccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000571863853 390756504 /nfs/dbraw/zinc/75/65/04/390756504.db2.gz SAAHXGOIYDSWNO-ZDUSSCGKSA-N 2 2 292.383 0.480 20 0 CCADLP COc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000571863853 390756506 /nfs/dbraw/zinc/75/65/06/390756506.db2.gz SAAHXGOIYDSWNO-ZDUSSCGKSA-N 2 2 292.383 0.480 20 0 CCADLP COCCC1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000528575127 390759319 /nfs/dbraw/zinc/75/93/19/390759319.db2.gz WJUBNZPBSMLKMY-UHFFFAOYSA-N 2 2 283.416 0.509 20 0 CCADLP CC1(C)CC[N@H+](CC(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000572012505 390763859 /nfs/dbraw/zinc/76/38/59/390763859.db2.gz QDMDWCSALCWNIV-UHFFFAOYSA-N 2 2 250.346 0.800 20 0 CCADLP CC1(C)CC[N@@H+](CC(=O)NCCc2[nH]cc[nH+]2)C1 ZINC000572012505 390763861 /nfs/dbraw/zinc/76/38/61/390763861.db2.gz QDMDWCSALCWNIV-UHFFFAOYSA-N 2 2 250.346 0.800 20 0 CCADLP C[N@@H+]1CCN(C(=O)Nc2cccc3c2OCC3)[C@H](C[NH3+])C1 ZINC000528700357 390769431 /nfs/dbraw/zinc/76/94/31/390769431.db2.gz KTRHZVOJFVWZFG-GFCCVEGCSA-N 2 2 290.367 0.728 20 0 CCADLP C[N@H+]1CCN(C(=O)Nc2cccc3c2OCC3)[C@H](C[NH3+])C1 ZINC000528700357 390769433 /nfs/dbraw/zinc/76/94/33/390769433.db2.gz KTRHZVOJFVWZFG-GFCCVEGCSA-N 2 2 290.367 0.728 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000572290252 390776734 /nfs/dbraw/zinc/77/67/34/390776734.db2.gz LFFXYDZGNODKBU-YPMHNXCESA-N 2 2 257.378 0.341 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000572290252 390776735 /nfs/dbraw/zinc/77/67/35/390776735.db2.gz LFFXYDZGNODKBU-YPMHNXCESA-N 2 2 257.378 0.341 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000528955920 390785586 /nfs/dbraw/zinc/78/55/86/390785586.db2.gz SHHNGQBLGAPKPX-VXGBXAGGSA-N 2 2 250.346 0.743 20 0 CCADLP CC1(C)C[NH+](CC(=O)N[C@H](CO)C[NH+]2CCCCC2)C1 ZINC000572661813 390796043 /nfs/dbraw/zinc/79/60/43/390796043.db2.gz SRVYPLXKOYCLCI-ZDUSSCGKSA-N 2 2 283.416 0.291 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000529209333 390798096 /nfs/dbraw/zinc/79/80/96/390798096.db2.gz VGQYMGUKWPNTLI-OKILXGFUSA-N 2 2 294.399 0.759 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000529209333 390798097 /nfs/dbraw/zinc/79/80/97/390798097.db2.gz VGQYMGUKWPNTLI-OKILXGFUSA-N 2 2 294.399 0.759 20 0 CCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000529290721 390802132 /nfs/dbraw/zinc/80/21/32/390802132.db2.gz KTDPDMHKNHETNV-STQMWFEESA-N 2 2 279.388 0.911 20 0 CCADLP [NH3+][C@H]1C[C@@H](C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000571448960 390736510 /nfs/dbraw/zinc/73/65/10/390736510.db2.gz DLNSAULHMATWOF-PHIMTYICSA-N 2 2 258.325 0.730 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@H](O)CC2(O)CCC2)C1 ZINC000528419729 390742006 /nfs/dbraw/zinc/74/20/06/390742006.db2.gz CCXAQJVSZICKGZ-CHWSQXEVSA-N 2 2 279.384 0.875 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@H](O)CC2(O)CCC2)C1 ZINC000528419729 390742007 /nfs/dbraw/zinc/74/20/07/390742007.db2.gz CCXAQJVSZICKGZ-CHWSQXEVSA-N 2 2 279.384 0.875 20 0 CCADLP CN(C)[C@@H](C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21)c1c[nH+]cn1C ZINC000646937362 390744423 /nfs/dbraw/zinc/74/44/23/390744423.db2.gz KJZKQYYZDZJVON-FPMFFAJLSA-N 2 2 291.399 0.185 20 0 CCADLP CN(C)[C@@H](C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21)c1c[nH+]cn1C ZINC000646937362 390744424 /nfs/dbraw/zinc/74/44/24/390744424.db2.gz KJZKQYYZDZJVON-FPMFFAJLSA-N 2 2 291.399 0.185 20 0 CCADLP Cn1cc(C[NH+]2CCN(C(=O)CC[NH2+]C3CC3)CC2)cn1 ZINC000578082385 390863355 /nfs/dbraw/zinc/86/33/55/390863355.db2.gz OXFXGYDENIBSOM-UHFFFAOYSA-N 2 2 291.399 0.206 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]([NH+](C)C)CC1 ZINC000578079805 390863682 /nfs/dbraw/zinc/86/36/82/390863682.db2.gz DAINNEHZGLUBSP-KBPBESRZSA-N 3 2 257.422 0.715 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]([NH+](C)C)CC1 ZINC000578079805 390863684 /nfs/dbraw/zinc/86/36/84/390863684.db2.gz DAINNEHZGLUBSP-KBPBESRZSA-N 3 2 257.422 0.715 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000578079805 390863686 /nfs/dbraw/zinc/86/36/86/390863686.db2.gz DAINNEHZGLUBSP-KBPBESRZSA-N 3 2 257.422 0.715 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000578079805 390863689 /nfs/dbraw/zinc/86/36/89/390863689.db2.gz DAINNEHZGLUBSP-KBPBESRZSA-N 3 2 257.422 0.715 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N=c1ccn(CC[NH+](C)C)[nH]1 ZINC000528318624 285393186 /nfs/dbraw/zinc/39/31/86/285393186.db2.gz WNWMSFZDZHZVBM-UHFFFAOYSA-N 2 2 276.344 0.010 20 0 CCADLP CCOCC(C)(C)CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000572976349 390815911 /nfs/dbraw/zinc/81/59/11/390815911.db2.gz QVFPZCQXLGCOHM-LBPRGKRZSA-N 2 2 286.420 0.333 20 0 CCADLP CCOCC(C)(C)CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000572976349 390815914 /nfs/dbraw/zinc/81/59/14/390815914.db2.gz QVFPZCQXLGCOHM-LBPRGKRZSA-N 2 2 286.420 0.333 20 0 CCADLP O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCn2c[nH+]cc2C1 ZINC000529352213 390816888 /nfs/dbraw/zinc/81/68/88/390816888.db2.gz QMYKHIMKILCWBQ-GFCCVEGCSA-N 2 2 275.356 0.693 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CN(Cc2c[nH+]c3ccccn23)CCO1 ZINC000647508047 390826439 /nfs/dbraw/zinc/82/64/39/390826439.db2.gz FTDGJOIZUOZVCE-AAEUAGOBSA-N 2 2 260.341 0.882 20 0 CCADLP C[C@@]1(C[NH+]2CCN(C(=O)N3CCCC3)CC2)CC[NH2+]C1 ZINC000647513612 390827059 /nfs/dbraw/zinc/82/70/59/390827059.db2.gz PFYAGORHSKXDRN-OAHLLOKOSA-N 2 2 280.416 0.819 20 0 CCADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(N)nc3)CC2)C1 ZINC000647516196 390828720 /nfs/dbraw/zinc/82/87/20/390828720.db2.gz VKCXKMILAOREQR-OAHLLOKOSA-N 2 2 289.427 0.706 20 0 CCADLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(N)nc3)CC2)C1 ZINC000647516196 390828722 /nfs/dbraw/zinc/82/87/22/390828722.db2.gz VKCXKMILAOREQR-OAHLLOKOSA-N 2 2 289.427 0.706 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(N)nc2)CC1 ZINC000647516448 390828912 /nfs/dbraw/zinc/82/89/12/390828912.db2.gz VLVQVFMEHRGBAE-UHFFFAOYSA-N 2 2 278.400 0.773 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(N)nc2)CC1 ZINC000647516448 390828913 /nfs/dbraw/zinc/82/89/13/390828913.db2.gz VLVQVFMEHRGBAE-UHFFFAOYSA-N 2 2 278.400 0.773 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)Cn1c[nH+]cc1C ZINC000529441396 390832057 /nfs/dbraw/zinc/83/20/57/390832057.db2.gz ZPJFEHZCSAAZJZ-GFCCVEGCSA-N 2 2 250.346 0.744 20 0 CCADLP C[C@H]([NH2+][C@H]1C[NH2+]C[C@@H](C)C1)[C@H](C)N1CCOCC1 ZINC000647549601 390839981 /nfs/dbraw/zinc/83/99/81/390839981.db2.gz JBZCTYUZFGUFRH-XDQVBPFNSA-N 2 2 255.406 0.683 20 0 CCADLP C[C@H](N[C@H]1C[NH2+]C[C@@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000647549601 390839982 /nfs/dbraw/zinc/83/99/82/390839982.db2.gz JBZCTYUZFGUFRH-XDQVBPFNSA-N 2 2 255.406 0.683 20 0 CCADLP Cc1nn(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c(C)c1Cl ZINC000578767674 390901643 /nfs/dbraw/zinc/90/16/43/390901643.db2.gz REMAWKSSDPIVEN-LLVKDONJSA-N 2 2 299.806 0.255 20 0 CCADLP Cc1nn(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c(C)c1Cl ZINC000578767674 390901645 /nfs/dbraw/zinc/90/16/45/390901645.db2.gz REMAWKSSDPIVEN-LLVKDONJSA-N 2 2 299.806 0.255 20 0 CCADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1cnn(C)c1 ZINC000453254290 533417778 /nfs/dbraw/zinc/41/77/78/533417778.db2.gz DLLBGZXEOYUCGR-OCCSQVGLSA-N 2 2 266.389 0.918 20 0 CCADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1cnn(C)c1 ZINC000453254290 533417788 /nfs/dbraw/zinc/41/77/88/533417788.db2.gz DLLBGZXEOYUCGR-OCCSQVGLSA-N 2 2 266.389 0.918 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCCn2cc(CO)nn2)C[N@@H+]1C1CC1 ZINC000353221321 130091388 /nfs/dbraw/zinc/09/13/88/130091388.db2.gz FKEPNFSVJMKHFQ-VXGBXAGGSA-N 2 2 279.388 0.375 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCCn2cc(CO)nn2)C[N@H+]1C1CC1 ZINC000353221321 130091391 /nfs/dbraw/zinc/09/13/91/130091391.db2.gz FKEPNFSVJMKHFQ-VXGBXAGGSA-N 2 2 279.388 0.375 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342106135 130264459 /nfs/dbraw/zinc/26/44/59/130264459.db2.gz OXGIUAJTLYHHDA-YVECIDJPSA-N 2 2 289.383 0.863 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342106135 130264461 /nfs/dbraw/zinc/26/44/61/130264461.db2.gz OXGIUAJTLYHHDA-YVECIDJPSA-N 2 2 289.383 0.863 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)n(C)n1 ZINC000342116796 130274676 /nfs/dbraw/zinc/27/46/76/130274676.db2.gz YTJHWQZAZHLXRN-AVGNSLFASA-N 2 2 291.399 0.726 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)n(C)n1 ZINC000342116796 130274678 /nfs/dbraw/zinc/27/46/78/130274678.db2.gz YTJHWQZAZHLXRN-AVGNSLFASA-N 2 2 291.399 0.726 20 0 CCADLP C[C@@H](C(=O)NCc1cccnc1-n1cc[nH+]c1)[C@H](C)[NH3+] ZINC000192095239 130370574 /nfs/dbraw/zinc/37/05/74/130370574.db2.gz KXOMWAVTXIJQKE-MNOVXSKESA-N 2 2 273.340 0.867 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)n1C ZINC000657707910 413051567 /nfs/dbraw/zinc/05/15/67/413051567.db2.gz JFXRJXDKFBNHTQ-VXGBXAGGSA-N 2 2 264.373 0.879 20 0 CCADLP C[C@@H](CNC(=O)c1csc(C[NH3+])n1)Cn1cc[nH+]c1 ZINC000237309987 131023277 /nfs/dbraw/zinc/02/32/77/131023277.db2.gz HFKXONQYJGIXGL-VIFPVBQESA-N 2 2 279.369 0.864 20 0 CCADLP C[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000237327495 131024617 /nfs/dbraw/zinc/02/46/17/131024617.db2.gz LJQZBEKYEKCFKD-GFCCVEGCSA-N 2 2 276.384 0.720 20 0 CCADLP [NH3+]CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000237976436 131069669 /nfs/dbraw/zinc/06/96/69/131069669.db2.gz IAPVCDULPRDURG-UHFFFAOYSA-N 2 2 263.341 0.094 20 0 CCADLP O=C(Cc1cn2ccccc2[nH+]1)NC[C@H]1CCC[NH2+]C1 ZINC000238125802 131078441 /nfs/dbraw/zinc/07/84/41/131078441.db2.gz YSYPNSCKPCZCSA-LBPRGKRZSA-N 2 2 272.352 0.993 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1C[NH3+] ZINC000253186272 131141309 /nfs/dbraw/zinc/14/13/09/131141309.db2.gz IPBJGEHLBLNKEQ-JHJVBQTASA-N 2 2 269.389 0.198 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCO2)C[C@H]1C[NH3+] ZINC000253186272 131141311 /nfs/dbraw/zinc/14/13/11/131141311.db2.gz IPBJGEHLBLNKEQ-JHJVBQTASA-N 2 2 269.389 0.198 20 0 CCADLP [NH3+]C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000262314118 131210617 /nfs/dbraw/zinc/21/06/17/131210617.db2.gz BWTXFGLOQMCVJH-AWEZNQCLSA-N 2 2 286.335 0.672 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000262655625 131248231 /nfs/dbraw/zinc/24/82/31/131248231.db2.gz CJGOZGFRYZGUEG-LBPRGKRZSA-N 2 2 292.383 0.390 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000262923823 131273874 /nfs/dbraw/zinc/27/38/74/131273874.db2.gz SAPGQMVFPSGECJ-LBPRGKRZSA-N 2 2 276.340 0.623 20 0 CCADLP Cc1ncc([C@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)c(C)n1 ZINC000268888014 132083752 /nfs/dbraw/zinc/08/37/52/132083752.db2.gz JAOMBKGBAQHIKV-SMDDNHRTSA-N 2 2 277.416 0.990 20 0 CCADLP Cc1ncc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)c(C)n1 ZINC000268888014 132083753 /nfs/dbraw/zinc/08/37/53/132083753.db2.gz JAOMBKGBAQHIKV-SMDDNHRTSA-N 2 2 277.416 0.990 20 0 CCADLP CCn1cc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)cn1 ZINC000268920813 132088804 /nfs/dbraw/zinc/08/88/04/132088804.db2.gz OTUIXYBLSNDJGY-GXTWGEPZSA-N 2 2 293.415 0.893 20 0 CCADLP CCn1cc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)cn1 ZINC000268920813 132088805 /nfs/dbraw/zinc/08/88/05/132088805.db2.gz OTUIXYBLSNDJGY-GXTWGEPZSA-N 2 2 293.415 0.893 20 0 CCADLP O=C(c1ccccc1C[NH+]1CCOCC1)N1CC[NH2+]CC1 ZINC000269104228 132112938 /nfs/dbraw/zinc/11/29/38/132112938.db2.gz HUGVQJXYSSGHKB-UHFFFAOYSA-N 2 2 289.379 0.564 20 0 CCADLP CNC(=O)NC(=O)CC[N@H+](C)CCCn1cc[nH+]c1 ZINC000269195055 132129111 /nfs/dbraw/zinc/12/91/11/132129111.db2.gz UEERPFWQKWJTRZ-UHFFFAOYSA-N 2 2 267.333 0.051 20 0 CCADLP CNC(=O)NC(=O)CC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000269195055 132129112 /nfs/dbraw/zinc/12/91/12/132129112.db2.gz UEERPFWQKWJTRZ-UHFFFAOYSA-N 2 2 267.333 0.051 20 0 CCADLP Cc1cn2cc(NC(=O)[C@@H]3C[C@H](O)C[NH2+]3)ccc2[nH+]1 ZINC000269243830 132140759 /nfs/dbraw/zinc/14/07/59/132140759.db2.gz KYJKPAMSDOHPIS-QWRGUYRKSA-N 2 2 260.297 0.304 20 0 CCADLP O=C(C[C@H]1C[NH2+]CCO1)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000269278754 132148516 /nfs/dbraw/zinc/14/85/16/132148516.db2.gz ZHFSTEDYMYZUIA-NSHDSACASA-N 3 2 287.323 0.584 20 0 CCADLP CSC[C@H](O)C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000575123668 335069474 /nfs/dbraw/zinc/06/94/74/335069474.db2.gz RWCLGYDPSMDGOD-VXGBXAGGSA-N 2 2 262.419 0.147 20 0 CCADLP CSC[C@H](O)C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000575123668 335069475 /nfs/dbraw/zinc/06/94/75/335069475.db2.gz RWCLGYDPSMDGOD-VXGBXAGGSA-N 2 2 262.419 0.147 20 0 CCADLP O=C(C[NH2+]C1CC1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000037799565 397385207 /nfs/dbraw/zinc/38/52/07/397385207.db2.gz HIDXFBLODORMNB-ZDUSSCGKSA-N 2 2 267.373 0.062 20 0 CCADLP Cc1cn[nH]c1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000356436363 144002855 /nfs/dbraw/zinc/00/28/55/144002855.db2.gz YFZJTKHXSNDLKC-UHFFFAOYSA-N 2 2 252.362 0.655 20 0 CCADLP COc1coc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1=O ZINC000357068177 144056334 /nfs/dbraw/zinc/05/63/34/144056334.db2.gz GBZFXDQUDDOPQS-QWRGUYRKSA-N 2 2 264.325 0.690 20 0 CCADLP COc1coc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1=O ZINC000357068177 144056335 /nfs/dbraw/zinc/05/63/35/144056335.db2.gz GBZFXDQUDDOPQS-QWRGUYRKSA-N 2 2 264.325 0.690 20 0 CCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC000357233637 144071032 /nfs/dbraw/zinc/07/10/32/144071032.db2.gz FADSMCMCNPTWBR-KKUMJFAQSA-N 2 2 297.443 0.896 20 0 CCADLP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC000357233637 144071034 /nfs/dbraw/zinc/07/10/34/144071034.db2.gz FADSMCMCNPTWBR-KKUMJFAQSA-N 2 2 297.443 0.896 20 0 CCADLP C[N@H+](CC(=O)NCC(F)(F)F)C1CC[NH+](CCO)CC1 ZINC000357654376 144109708 /nfs/dbraw/zinc/10/97/08/144109708.db2.gz ZUHDTGBTIUXFGI-UHFFFAOYSA-N 2 2 297.321 0.053 20 0 CCADLP C[N@@H+](CC(=O)NCC(F)(F)F)C1CC[NH+](CCO)CC1 ZINC000357654376 144109709 /nfs/dbraw/zinc/10/97/09/144109709.db2.gz ZUHDTGBTIUXFGI-UHFFFAOYSA-N 2 2 297.321 0.053 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CC[NH2+][C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000358697882 144173718 /nfs/dbraw/zinc/17/37/18/144173718.db2.gz UKKREGRNIXDQNK-HZSPNIEDSA-N 2 2 282.432 0.127 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000358865062 144183978 /nfs/dbraw/zinc/18/39/78/144183978.db2.gz YXSJPTWMFJJMKA-LBPRGKRZSA-N 2 2 276.315 0.918 20 0 CCADLP Nc1cc(N)[nH+]c(SCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000368401876 144222710 /nfs/dbraw/zinc/22/27/10/144222710.db2.gz HAGOZJIWXOLAAB-DTORHVGOSA-N 2 2 281.385 0.427 20 0 CCADLP Nc1cc(N)[nH+]c(SCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000368401876 144222711 /nfs/dbraw/zinc/22/27/11/144222711.db2.gz HAGOZJIWXOLAAB-DTORHVGOSA-N 2 2 281.385 0.427 20 0 CCADLP O=C(NCC[C@@H]1CCC[NH2+]C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000368486701 144227504 /nfs/dbraw/zinc/22/75/04/144227504.db2.gz OVLPRWRYUWEZNQ-UWVGGRQHSA-N 2 2 261.316 0.490 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccon3)C2)CC1 ZINC000369277670 144260969 /nfs/dbraw/zinc/26/09/69/144260969.db2.gz MPJFIKDDHZZSPM-NSHDSACASA-N 2 2 278.356 0.573 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccon3)C2)CC1 ZINC000369277670 144260970 /nfs/dbraw/zinc/26/09/70/144260970.db2.gz MPJFIKDDHZZSPM-NSHDSACASA-N 2 2 278.356 0.573 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000370484710 144304995 /nfs/dbraw/zinc/30/49/95/144304995.db2.gz NYFHPJZECXLDOJ-ZDUSSCGKSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000370484710 144304997 /nfs/dbraw/zinc/30/49/97/144304997.db2.gz NYFHPJZECXLDOJ-ZDUSSCGKSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)o1)C[NH+](C)C ZINC000381301719 397486495 /nfs/dbraw/zinc/48/64/95/397486495.db2.gz FIPUJQGMGYPQAW-SECBINFHSA-N 2 2 275.374 0.214 20 0 CCADLP [NH3+]Cc1ccc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000372027385 144350573 /nfs/dbraw/zinc/35/05/73/144350573.db2.gz SKDSWMNYLZCJSY-HNNXBMFYSA-N 2 2 289.379 0.692 20 0 CCADLP O=C1O[C@H](C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CC12CC2 ZINC000373036836 144389443 /nfs/dbraw/zinc/38/94/43/144389443.db2.gz SVEWVTPLUIBCDI-KBPBESRZSA-N 2 2 294.395 0.736 20 0 CCADLP O=C1O[C@H](C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CC12CC2 ZINC000373036836 144389444 /nfs/dbraw/zinc/38/94/44/144389444.db2.gz SVEWVTPLUIBCDI-KBPBESRZSA-N 2 2 294.395 0.736 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](COC)C1 ZINC000389060416 397509475 /nfs/dbraw/zinc/50/94/75/397509475.db2.gz IVZZNRIXEVPWGV-KGLIPLIRSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](COC)C1 ZINC000389060416 397509479 /nfs/dbraw/zinc/50/94/79/397509479.db2.gz IVZZNRIXEVPWGV-KGLIPLIRSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](COC)C1 ZINC000389060416 397509483 /nfs/dbraw/zinc/50/94/83/397509483.db2.gz IVZZNRIXEVPWGV-KGLIPLIRSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](COC)C1 ZINC000389060416 397509486 /nfs/dbraw/zinc/50/94/86/397509486.db2.gz IVZZNRIXEVPWGV-KGLIPLIRSA-N 2 2 274.405 0.284 20 0 CCADLP COC(=O)[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)[C@H]1C ZINC000459437159 397556040 /nfs/dbraw/zinc/55/60/40/397556040.db2.gz QYZVSKHLDAJEPX-CMPLNLGQSA-N 2 2 251.330 0.846 20 0 CCADLP COC(=O)[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)[C@H]1C ZINC000459437159 397556043 /nfs/dbraw/zinc/55/60/43/397556043.db2.gz QYZVSKHLDAJEPX-CMPLNLGQSA-N 2 2 251.330 0.846 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000649618689 397648027 /nfs/dbraw/zinc/64/80/27/397648027.db2.gz JUTPLLDUPNCWHD-KFWWJZLASA-N 2 2 268.401 0.990 20 0 CCADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000649618689 397648033 /nfs/dbraw/zinc/64/80/33/397648033.db2.gz JUTPLLDUPNCWHD-KFWWJZLASA-N 2 2 268.401 0.990 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](CCCCCF)CC1=O ZINC000649684832 397654905 /nfs/dbraw/zinc/65/49/05/397654905.db2.gz DECRYLBHOQMVBA-UHFFFAOYSA-N 2 2 259.369 0.832 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](CCCCCF)CC1=O ZINC000649684832 397654907 /nfs/dbraw/zinc/65/49/07/397654907.db2.gz DECRYLBHOQMVBA-UHFFFAOYSA-N 2 2 259.369 0.832 20 0 CCADLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+](C)CCC[NH3+] ZINC000649410175 397606198 /nfs/dbraw/zinc/60/61/98/397606198.db2.gz WTMFPBNNSBIVBR-NSHDSACASA-N 2 2 267.377 0.645 20 0 CCADLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+](C)CCC[NH3+] ZINC000649410175 397606199 /nfs/dbraw/zinc/60/61/99/397606199.db2.gz WTMFPBNNSBIVBR-NSHDSACASA-N 2 2 267.377 0.645 20 0 CCADLP CC[C@H]1C[N@H+](CC(=O)N(C)Cc2cnn(C)c2)CC[C@H]1[NH3+] ZINC000649416761 397609665 /nfs/dbraw/zinc/60/96/65/397609665.db2.gz KUSZTKYWSXGBAW-UONOGXRCSA-N 2 2 293.415 0.438 20 0 CCADLP CC[C@H]1C[N@@H+](CC(=O)N(C)Cc2cnn(C)c2)CC[C@H]1[NH3+] ZINC000649416761 397609667 /nfs/dbraw/zinc/60/96/67/397609667.db2.gz KUSZTKYWSXGBAW-UONOGXRCSA-N 2 2 293.415 0.438 20 0 CCADLP C[NH+](C)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000650988392 397799832 /nfs/dbraw/zinc/79/98/32/397799832.db2.gz DIRZBIUXGIPKRP-UHFFFAOYSA-N 2 2 250.346 0.440 20 0 CCADLP CC[C@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)c1[nH]cc[nH+]1 ZINC000548734004 286063884 /nfs/dbraw/zinc/06/38/84/286063884.db2.gz IDPASPMOHLMTIS-NWDGAFQWSA-N 2 2 277.372 0.367 20 0 CCADLP CC[C@H](NC(=O)[C@H]1C[N@H+]2CCN1CCC2)c1[nH]cc[nH+]1 ZINC000548734004 286063886 /nfs/dbraw/zinc/06/38/86/286063886.db2.gz IDPASPMOHLMTIS-NWDGAFQWSA-N 2 2 277.372 0.367 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1c1nc(C)[nH+]c(N(C)C)n1 ZINC000549260924 286091004 /nfs/dbraw/zinc/09/10/04/286091004.db2.gz LMACJAXZZYXXHA-LLVKDONJSA-N 2 2 264.377 0.776 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1c1nc(C)[nH+]c(N(C)C)n1 ZINC000549260924 286091005 /nfs/dbraw/zinc/09/10/05/286091005.db2.gz LMACJAXZZYXXHA-LLVKDONJSA-N 2 2 264.377 0.776 20 0 CCADLP CCOCCNC(=O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000337236188 286093316 /nfs/dbraw/zinc/09/33/16/286093316.db2.gz XXFLYWSZPGZMAY-UHFFFAOYSA-N 2 2 271.405 0.557 20 0 CCADLP CCOCCNC(=O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337236188 286093317 /nfs/dbraw/zinc/09/33/17/286093317.db2.gz XXFLYWSZPGZMAY-UHFFFAOYSA-N 2 2 271.405 0.557 20 0 CCADLP C[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H](CO)O2)C[N@@H+]1C1CC1 ZINC000550846894 286113382 /nfs/dbraw/zinc/11/33/82/286113382.db2.gz AGPHMOGEXLPVJD-VTPLQMEGSA-N 2 2 254.374 0.741 20 0 CCADLP C[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H](CO)O2)C[N@H+]1C1CC1 ZINC000550846894 286113383 /nfs/dbraw/zinc/11/33/83/286113383.db2.gz AGPHMOGEXLPVJD-VTPLQMEGSA-N 2 2 254.374 0.741 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000551835852 286128715 /nfs/dbraw/zinc/12/87/15/286128715.db2.gz VGUMNGQJFDEUES-LBPRGKRZSA-N 2 2 262.357 0.716 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000551835852 286128716 /nfs/dbraw/zinc/12/87/16/286128716.db2.gz VGUMNGQJFDEUES-LBPRGKRZSA-N 2 2 262.357 0.716 20 0 CCADLP Cn1ccc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)n1 ZINC000552279376 286161700 /nfs/dbraw/zinc/16/17/00/286161700.db2.gz DGWHYPNTZOZIHJ-UHFFFAOYSA-N 2 2 293.415 0.502 20 0 CCADLP c1nc(N2CCC[NH2+]CC2)cc(N2CCSCC2)[nH+]1 ZINC000045948038 296644236 /nfs/dbraw/zinc/64/42/36/296644236.db2.gz DKCCNUTUUREWLL-UHFFFAOYSA-N 2 2 279.413 0.830 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000659114705 413292615 /nfs/dbraw/zinc/29/26/15/413292615.db2.gz YQRSKFYBWYWXRZ-VIFPVBQESA-N 2 2 289.339 0.305 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261705027 298122456 /nfs/dbraw/zinc/12/24/56/298122456.db2.gz LYAZBUVONUTZGG-RNCFNFMXSA-N 2 2 268.361 0.034 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261705027 298122459 /nfs/dbraw/zinc/12/24/59/298122459.db2.gz LYAZBUVONUTZGG-RNCFNFMXSA-N 2 2 268.361 0.034 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000352818448 298505522 /nfs/dbraw/zinc/50/55/22/298505522.db2.gz LRQHWPXJPHQXSK-UPJWGTAASA-N 2 2 286.420 0.345 20 0 CCADLP C[C@@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)[C@H]1CCCC[NH2+]1 ZINC000423023037 287038914 /nfs/dbraw/zinc/03/89/14/287038914.db2.gz GOVDDWAVNUYVBR-VHDGCEQUSA-N 2 2 267.417 0.970 20 0 CCADLP C[C@@H](O)CN(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371408679 287080711 /nfs/dbraw/zinc/08/07/11/287080711.db2.gz IKTOYICWKRSOJX-CHWSQXEVSA-N 2 2 298.431 0.177 20 0 CCADLP C[C@@H](O)CN(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371408679 287080713 /nfs/dbraw/zinc/08/07/13/287080713.db2.gz IKTOYICWKRSOJX-CHWSQXEVSA-N 2 2 298.431 0.177 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000284234032 196009905 /nfs/dbraw/zinc/00/99/05/196009905.db2.gz BTPXAXQNMQISGV-ZIYVKSGCSA-N 2 2 290.367 0.604 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NC1CCOCC1 ZINC000062769213 411688429 /nfs/dbraw/zinc/68/84/29/411688429.db2.gz GWTVTNRFRVUMRL-UKRRQHHQSA-N 2 2 295.427 0.746 20 0 CCADLP O=C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NC1CCOCC1 ZINC000062769213 411688433 /nfs/dbraw/zinc/68/84/33/411688433.db2.gz GWTVTNRFRVUMRL-UKRRQHHQSA-N 2 2 295.427 0.746 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cccnc1 ZINC000311704614 411751825 /nfs/dbraw/zinc/75/18/25/411751825.db2.gz MPVVFANAAZDWJD-TZMCWYRMSA-N 2 2 267.373 0.671 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cccnc1 ZINC000311704614 411751830 /nfs/dbraw/zinc/75/18/30/411751830.db2.gz MPVVFANAAZDWJD-TZMCWYRMSA-N 2 2 267.373 0.671 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000405211886 411799942 /nfs/dbraw/zinc/79/99/42/411799942.db2.gz LOMBLBIVVMQRSB-WDEREUQCSA-N 2 2 250.346 0.896 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407302703 411806230 /nfs/dbraw/zinc/80/62/30/411806230.db2.gz CSIWOHIUCZQHHM-NWDGAFQWSA-N 2 2 262.357 0.909 20 0 CCADLP COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000651937585 411963818 /nfs/dbraw/zinc/96/38/18/411963818.db2.gz PJFTWOZNRSMDLH-CMPLNLGQSA-N 2 2 268.361 0.068 20 0 CCADLP COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000651937585 411963821 /nfs/dbraw/zinc/96/38/21/411963821.db2.gz PJFTWOZNRSMDLH-CMPLNLGQSA-N 2 2 268.361 0.068 20 0 CCADLP O[C@]1(CC[NH2+]Cc2cccc3[nH+]ccn32)CCOC1 ZINC000651943378 411966118 /nfs/dbraw/zinc/96/61/18/411966118.db2.gz QAUXVTOBIMMSHE-CQSZACIVSA-N 2 2 261.325 0.965 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)NCCC1(C[NH3+])CC1 ZINC000652241850 412017119 /nfs/dbraw/zinc/01/71/19/412017119.db2.gz CAEBFCFAIWFYDL-UHFFFAOYSA-N 2 2 284.404 0.089 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000652341452 412031461 /nfs/dbraw/zinc/03/14/61/412031461.db2.gz QOUVWSSKMBWACS-GFCCVEGCSA-N 2 2 265.348 0.230 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCCN(CC(F)F)CC1 ZINC000652341452 412031462 /nfs/dbraw/zinc/03/14/62/412031462.db2.gz QOUVWSSKMBWACS-GFCCVEGCSA-N 2 2 265.348 0.230 20 0 CCADLP CCCNC(=O)[C@H](C)[NH+]1CCC([NH2+]CCOC)CC1 ZINC000652345329 412033401 /nfs/dbraw/zinc/03/34/01/412033401.db2.gz ZLVRAIRVDRAIAG-LBPRGKRZSA-N 2 2 271.405 0.602 20 0 CCADLP CCOc1ccnc(N2CCC[N@H+](C[C@H](C)[NH3+])CC2)n1 ZINC000652343711 412034383 /nfs/dbraw/zinc/03/43/83/412034383.db2.gz JMSZEPOGACAJPQ-LBPRGKRZSA-N 2 2 279.388 0.735 20 0 CCADLP CCOc1ccnc(N2CCC[N@@H+](C[C@H](C)[NH3+])CC2)n1 ZINC000652343711 412034388 /nfs/dbraw/zinc/03/43/88/412034388.db2.gz JMSZEPOGACAJPQ-LBPRGKRZSA-N 2 2 279.388 0.735 20 0 CCADLP Cc1ccc(OCC(=O)N2CC[NH+](CCC[NH3+])CC2)cc1 ZINC000020181795 171045542 /nfs/dbraw/zinc/04/55/42/171045542.db2.gz MHTBIIIUSDVAMA-UHFFFAOYSA-N 2 2 291.395 0.867 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H](CCO)c1ccccc1 ZINC000653091019 412214520 /nfs/dbraw/zinc/21/45/20/412214520.db2.gz HAWBHDJVYHMPDQ-GJZGRUSLSA-N 2 2 293.411 0.548 20 0 CCADLP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653052379 412202063 /nfs/dbraw/zinc/20/20/63/412202063.db2.gz CHBSFYPPWWFGAT-AAEUAGOBSA-N 3 2 258.410 0.145 20 0 CCADLP CC(C)n1nccc1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653058810 412205910 /nfs/dbraw/zinc/20/59/10/412205910.db2.gz HBRTYJPEUFGGMN-SNVBAGLBSA-N 2 2 253.350 0.682 20 0 CCADLP CN(Cc1cccs1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653058125 412206298 /nfs/dbraw/zinc/20/62/98/412206298.db2.gz GGDZILXWMIMADB-LLVKDONJSA-N 2 2 255.387 0.986 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCc1cccs1 ZINC000653059574 412206507 /nfs/dbraw/zinc/20/65/07/412206507.db2.gz DYGGJTBBWGSZPK-NSHDSACASA-N 2 2 255.387 0.686 20 0 CCADLP CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1Cc2ccccc2C1 ZINC000653076773 412210807 /nfs/dbraw/zinc/21/08/07/412210807.db2.gz DPWHZDSVHDIYOY-HNNXBMFYSA-N 2 2 275.396 0.891 20 0 CCADLP C[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1nc(C(C)(C)C)no1 ZINC000653101828 412218561 /nfs/dbraw/zinc/21/85/61/412218561.db2.gz HMOLYAKCEMPSJI-ZJUUUORDSA-N 2 2 297.403 0.823 20 0 CCADLP CC[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1CCOCC1 ZINC000653099442 412218652 /nfs/dbraw/zinc/21/86/52/412218652.db2.gz QVQGWRVZHPXRPR-CHWSQXEVSA-N 2 2 271.405 0.587 20 0 CCADLP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653106631 412220684 /nfs/dbraw/zinc/22/06/84/412220684.db2.gz GMUSICFSTGMPKD-KGLIPLIRSA-N 3 2 284.448 0.646 20 0 CCADLP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653106631 412220687 /nfs/dbraw/zinc/22/06/87/412220687.db2.gz GMUSICFSTGMPKD-KGLIPLIRSA-N 3 2 284.448 0.646 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653109645 412222974 /nfs/dbraw/zinc/22/29/74/412222974.db2.gz IJRVUTUXJKLNQD-STQMWFEESA-N 2 2 269.389 0.213 20 0 CCADLP O=C(N1CCC[C@@H](c2[nH]cc[nH+]2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653111469 412223610 /nfs/dbraw/zinc/22/36/10/412223610.db2.gz OXFBDIHSXVWRMI-XUJVJEKNSA-N 2 2 290.367 0.352 20 0 CCADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653112695 412223838 /nfs/dbraw/zinc/22/38/38/412223838.db2.gz HOMDJEKMKRUBFR-KGLIPLIRSA-N 3 2 298.475 0.892 20 0 CCADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653112695 412223841 /nfs/dbraw/zinc/22/38/41/412223841.db2.gz HOMDJEKMKRUBFR-KGLIPLIRSA-N 3 2 298.475 0.892 20 0 CCADLP Cc1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c(C)n1 ZINC000653111597 412223867 /nfs/dbraw/zinc/22/38/67/412223867.db2.gz UJTFUOVMAYHIHZ-NSHDSACASA-N 2 2 250.346 0.916 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000653117347 412227948 /nfs/dbraw/zinc/22/79/48/412227948.db2.gz JHSDFLVECRZTOF-ZIAGYGMSSA-N 3 2 282.432 0.352 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CCC[NH2+]CC2)CC1 ZINC000653121823 412230250 /nfs/dbraw/zinc/23/02/50/412230250.db2.gz DDGHKFLTHUHHDI-AWEZNQCLSA-N 3 2 296.459 0.518 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653126825 412233567 /nfs/dbraw/zinc/23/35/67/412233567.db2.gz JJSDOBTYAQLIDR-VXGBXAGGSA-N 2 2 276.384 0.958 20 0 CCADLP C[C@H]([NH3+])[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653144902 412240454 /nfs/dbraw/zinc/24/04/54/412240454.db2.gz LSCPBASHZNYMDN-UWVGGRQHSA-N 2 2 250.346 0.614 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000653143132 412240895 /nfs/dbraw/zinc/24/08/95/412240895.db2.gz FRFBQPKGINOKBO-ILXRZTDVSA-N 3 2 296.459 0.504 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653144826 412241079 /nfs/dbraw/zinc/24/10/79/412241079.db2.gz HJSSQJLZUYJKPE-JTQLQIEISA-N 2 2 250.346 0.615 20 0 CCADLP CC(C)CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000653148619 412242411 /nfs/dbraw/zinc/24/24/11/412242411.db2.gz FRRNAJWVJRSBKQ-OAHLLOKOSA-N 3 2 298.475 0.844 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@@H](CC)CO1 ZINC000653177333 412253816 /nfs/dbraw/zinc/25/38/16/412253816.db2.gz UQGHUNXNTDHUEL-XQQFMLRXSA-N 2 2 271.405 0.681 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000653499584 412308480 /nfs/dbraw/zinc/30/84/80/412308480.db2.gz SZZIJMKVMORZKW-CHWSQXEVSA-N 2 2 266.389 0.902 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000653499584 412308483 /nfs/dbraw/zinc/30/84/83/412308483.db2.gz SZZIJMKVMORZKW-CHWSQXEVSA-N 2 2 266.389 0.902 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000653499584 412308484 /nfs/dbraw/zinc/30/84/84/412308484.db2.gz SZZIJMKVMORZKW-CHWSQXEVSA-N 2 2 266.389 0.902 20 0 CCADLP CCn1ccc(C[N@H+](C)C[C@H](O)C[NH+](C)CCOC)c1 ZINC000653638280 412327427 /nfs/dbraw/zinc/32/74/27/412327427.db2.gz NYUZWZMBBIXINV-OAHLLOKOSA-N 2 2 283.416 0.879 20 0 CCADLP CCn1ccc(C[N@@H+](C)C[C@H](O)C[NH+](C)CCOC)c1 ZINC000653638280 412327430 /nfs/dbraw/zinc/32/74/30/412327430.db2.gz NYUZWZMBBIXINV-OAHLLOKOSA-N 2 2 283.416 0.879 20 0 CCADLP CCn1ccc(C[NH+](C)C[C@H](O)C[N@H+](C)CCOC)c1 ZINC000653638280 412327433 /nfs/dbraw/zinc/32/74/33/412327433.db2.gz NYUZWZMBBIXINV-OAHLLOKOSA-N 2 2 283.416 0.879 20 0 CCADLP CCn1ccc(C[NH+](C)C[C@H](O)C[N@@H+](C)CCOC)c1 ZINC000653638280 412327436 /nfs/dbraw/zinc/32/74/36/412327436.db2.gz NYUZWZMBBIXINV-OAHLLOKOSA-N 2 2 283.416 0.879 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCO[C@H](c2cccs2)C1 ZINC000653347306 412292641 /nfs/dbraw/zinc/29/26/41/412292641.db2.gz ZVHBHSODSTXYAO-NEPJUHHUSA-N 2 2 297.424 0.927 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000655038071 412465914 /nfs/dbraw/zinc/46/59/14/412465914.db2.gz KLGMLESMBQEZGR-KGLIPLIRSA-N 2 2 283.416 0.506 20 0 CCADLP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000659484393 413539679 /nfs/dbraw/zinc/53/96/79/413539679.db2.gz SSEPFKMQJSNKBL-VXGBXAGGSA-N 2 2 279.388 0.871 20 0 CCADLP CN(CC(C)(C)[NH3+])C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000659494234 413548563 /nfs/dbraw/zinc/54/85/63/413548563.db2.gz OENRXJQZMDMWCI-SECBINFHSA-N 2 2 265.361 0.646 20 0 CCADLP CN(CC(C)(C)[NH3+])C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000659494234 413548574 /nfs/dbraw/zinc/54/85/74/413548574.db2.gz OENRXJQZMDMWCI-SECBINFHSA-N 2 2 265.361 0.646 20 0 CCADLP C[C@@H](NC(=O)NCCCN1CC[NH2+]CC1)c1[nH+]ccn1C ZINC000659506259 413562934 /nfs/dbraw/zinc/56/29/34/413562934.db2.gz NEIBYHDQIJPYEB-GFCCVEGCSA-N 2 2 294.403 0.076 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@H](C)[C@H]1C(N)=O ZINC000285319990 196250200 /nfs/dbraw/zinc/25/02/00/196250200.db2.gz XLBXDFAMVHSIKQ-PWSUYJOCSA-N 2 2 266.345 0.156 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@H](C)[C@H]1C(N)=O ZINC000285319990 196250202 /nfs/dbraw/zinc/25/02/02/196250202.db2.gz XLBXDFAMVHSIKQ-PWSUYJOCSA-N 2 2 266.345 0.156 20 0 CCADLP C[C@H](NC(=O)NC[C@H]1CCC[NH2+]1)c1[nH+]ccn1C ZINC000659517240 413584642 /nfs/dbraw/zinc/58/46/42/413584642.db2.gz ZMZMAJIFZDCGPE-VHSXEESVSA-N 2 2 251.334 0.532 20 0 CCADLP C[C@H](NC(=O)NCC[C@@H]1CC[NH2+]C1)c1[nH+]ccn1C ZINC000659514810 413578713 /nfs/dbraw/zinc/57/87/13/413578713.db2.gz VDCJWXFTIXBDTG-QWRGUYRKSA-N 2 2 265.361 0.780 20 0 CCADLP C[C@H](CCCC[NH3+])NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659550432 413639588 /nfs/dbraw/zinc/63/95/88/413639588.db2.gz XLRIJHFGLBVMPG-ZIAGYGMSSA-N 2 2 298.431 0.620 20 0 CCADLP [NH3+]C1(CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CCCC1 ZINC000659574700 413674044 /nfs/dbraw/zinc/67/40/44/413674044.db2.gz FDHPVZHRTADNTN-ZDUSSCGKSA-N 2 2 296.415 0.374 20 0 CCADLP C[C@@H]1CCC[C@H](CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])O1 ZINC000659601642 413684735 /nfs/dbraw/zinc/68/47/35/413684735.db2.gz VYCNHGBQWDSILG-FRRDWIJNSA-N 2 2 284.404 0.228 20 0 CCADLP C[C@@H]1CCC[C@H](CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])O1 ZINC000659601642 413684742 /nfs/dbraw/zinc/68/47/42/413684742.db2.gz VYCNHGBQWDSILG-FRRDWIJNSA-N 2 2 284.404 0.228 20 0 CCADLP COCC[NH2+]CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000414888396 292563575 /nfs/dbraw/zinc/56/35/75/292563575.db2.gz RNTLZWYZTJXRFF-XQQFMLRXSA-N 2 2 254.374 0.770 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000659637950 413739104 /nfs/dbraw/zinc/73/91/04/413739104.db2.gz QOCRSQVRBMBKFT-GHMZBOCLSA-N 2 2 265.361 0.527 20 0 CCADLP COC[C@@H](C[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1)OC ZINC000659880183 413938813 /nfs/dbraw/zinc/93/88/13/413938813.db2.gz IGYAULDLJUFADU-CQSZACIVSA-N 2 2 295.383 0.874 20 0 CCADLP CCN1OC[C@@H]([N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000659883208 413939726 /nfs/dbraw/zinc/93/97/26/413939726.db2.gz QWFOTDGIYGVUPT-VXGBXAGGSA-N 2 2 264.329 0.682 20 0 CCADLP CCN1OC[C@@H]([N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000659883208 413939729 /nfs/dbraw/zinc/93/97/29/413939729.db2.gz QWFOTDGIYGVUPT-VXGBXAGGSA-N 2 2 264.329 0.682 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+]([C@H]2COC(C)(C)C2)CC1 ZINC000659838527 413904227 /nfs/dbraw/zinc/90/42/27/413904227.db2.gz NAYBZYGWOHQAEQ-GFCCVEGCSA-N 2 2 269.389 0.260 20 0 CCADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)Nc1cnccn1 ZINC000659999436 414036284 /nfs/dbraw/zinc/03/62/84/414036284.db2.gz RIZVUEDMJBAOIL-UHFFFAOYSA-N 2 2 286.339 0.949 20 0 CCADLP O=C(C[C@@H]1COCC[NH2+]1)NCCCNc1cccc[nH+]1 ZINC000285758209 196390186 /nfs/dbraw/zinc/39/01/86/196390186.db2.gz KEFYOMDBACMRRO-GFCCVEGCSA-N 2 2 278.356 0.378 20 0 CCADLP CCOCCO[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000660118620 414124556 /nfs/dbraw/zinc/12/45/56/414124556.db2.gz GBDAEBOBSLWKHC-GJZGRUSLSA-N 2 2 288.432 0.815 20 0 CCADLP CCOCCO[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000660118620 414124566 /nfs/dbraw/zinc/12/45/66/414124566.db2.gz GBDAEBOBSLWKHC-GJZGRUSLSA-N 2 2 288.432 0.815 20 0 CCADLP CCOCCO[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000660118620 414124575 /nfs/dbraw/zinc/12/45/75/414124575.db2.gz GBDAEBOBSLWKHC-GJZGRUSLSA-N 2 2 288.432 0.815 20 0 CCADLP CCOCCO[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000660118620 414124587 /nfs/dbraw/zinc/12/45/87/414124587.db2.gz GBDAEBOBSLWKHC-GJZGRUSLSA-N 2 2 288.432 0.815 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](N2CCCC2=O)C1 ZINC000660149327 414161948 /nfs/dbraw/zinc/16/19/48/414161948.db2.gz WWVZJUKAEQEMFN-ZIAGYGMSSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](N2CCCC2=O)C1 ZINC000660149327 414161951 /nfs/dbraw/zinc/16/19/51/414161951.db2.gz WWVZJUKAEQEMFN-ZIAGYGMSSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000660149327 414161957 /nfs/dbraw/zinc/16/19/57/414161957.db2.gz WWVZJUKAEQEMFN-ZIAGYGMSSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000660149327 414161961 /nfs/dbraw/zinc/16/19/61/414161961.db2.gz WWVZJUKAEQEMFN-ZIAGYGMSSA-N 2 2 283.416 0.384 20 0 CCADLP CCN1CC[C@H]([NH+]2CCN(c3[nH+]ccn3C)CC2)C1=O ZINC000660113286 414117568 /nfs/dbraw/zinc/11/75/68/414117568.db2.gz QQYNYCYJVFTNPU-LBPRGKRZSA-N 2 2 277.372 0.163 20 0 CCADLP COc1cc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)on1 ZINC000660112815 414118108 /nfs/dbraw/zinc/11/81/08/414118108.db2.gz NWPSMFKXGIVEDF-UHFFFAOYSA-N 2 2 277.328 0.739 20 0 CCADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)NC1CCOCC1)C2 ZINC000660660053 414432483 /nfs/dbraw/zinc/43/24/83/414432483.db2.gz SZSYONXZSLKNGM-INIZCTEOSA-N 2 2 295.427 0.699 20 0 CCADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)NC1CCOCC1)C2 ZINC000660660053 414432487 /nfs/dbraw/zinc/43/24/87/414432487.db2.gz SZSYONXZSLKNGM-INIZCTEOSA-N 2 2 295.427 0.699 20 0 CCADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC(=O)NC1CCOCC1)C2 ZINC000660660053 414432491 /nfs/dbraw/zinc/43/24/91/414432491.db2.gz SZSYONXZSLKNGM-INIZCTEOSA-N 2 2 295.427 0.699 20 0 CCADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC(=O)NC1CCOCC1)C2 ZINC000660660053 414432496 /nfs/dbraw/zinc/43/24/96/414432496.db2.gz SZSYONXZSLKNGM-INIZCTEOSA-N 2 2 295.427 0.699 20 0 CCADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)N1CCC1)C2 ZINC000660656528 414434519 /nfs/dbraw/zinc/43/45/19/414434519.db2.gz VJHVEQAXKBCZAA-AWEZNQCLSA-N 2 2 251.374 0.636 20 0 CCADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)N1CCC1)C2 ZINC000660656528 414434525 /nfs/dbraw/zinc/43/45/25/414434525.db2.gz VJHVEQAXKBCZAA-AWEZNQCLSA-N 2 2 251.374 0.636 20 0 CCADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC(=O)N1CCC1)C2 ZINC000660656528 414434527 /nfs/dbraw/zinc/43/45/27/414434527.db2.gz VJHVEQAXKBCZAA-AWEZNQCLSA-N 2 2 251.374 0.636 20 0 CCADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC(=O)N1CCC1)C2 ZINC000660656528 414434534 /nfs/dbraw/zinc/43/45/34/414434534.db2.gz VJHVEQAXKBCZAA-AWEZNQCLSA-N 2 2 251.374 0.636 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660702287 414451068 /nfs/dbraw/zinc/45/10/68/414451068.db2.gz XCXISBAZYAYVIR-CYBMUJFWSA-N 2 2 295.387 0.662 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660702287 414451074 /nfs/dbraw/zinc/45/10/74/414451074.db2.gz XCXISBAZYAYVIR-CYBMUJFWSA-N 2 2 295.387 0.662 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660702287 414451080 /nfs/dbraw/zinc/45/10/80/414451080.db2.gz XCXISBAZYAYVIR-CYBMUJFWSA-N 2 2 295.387 0.662 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660702287 414451088 /nfs/dbraw/zinc/45/10/88/414451088.db2.gz XCXISBAZYAYVIR-CYBMUJFWSA-N 2 2 295.387 0.662 20 0 CCADLP COC[C@@]1(CO)CC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000660750343 414471064 /nfs/dbraw/zinc/47/10/64/414471064.db2.gz BSMWKIUYJFYTMN-ZDUSSCGKSA-N 2 2 253.346 0.522 20 0 CCADLP COC[C@@]1(CO)CC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000660750343 414471067 /nfs/dbraw/zinc/47/10/67/414471067.db2.gz BSMWKIUYJFYTMN-ZDUSSCGKSA-N 2 2 253.346 0.522 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000660843646 414501672 /nfs/dbraw/zinc/50/16/72/414501672.db2.gz GZHBAIVYUKLEKV-SNVBAGLBSA-N 2 2 263.345 0.788 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000660843646 414501675 /nfs/dbraw/zinc/50/16/75/414501675.db2.gz GZHBAIVYUKLEKV-SNVBAGLBSA-N 2 2 263.345 0.788 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000660843646 414501677 /nfs/dbraw/zinc/50/16/77/414501677.db2.gz GZHBAIVYUKLEKV-SNVBAGLBSA-N 2 2 263.345 0.788 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000660843646 414501679 /nfs/dbraw/zinc/50/16/79/414501679.db2.gz GZHBAIVYUKLEKV-SNVBAGLBSA-N 2 2 263.345 0.788 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC000660856408 414511754 /nfs/dbraw/zinc/51/17/54/414511754.db2.gz KIFTYEFQNPLRPM-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC000660856408 414511758 /nfs/dbraw/zinc/51/17/58/414511758.db2.gz KIFTYEFQNPLRPM-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[NH+]1CC[C@H](NC(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000660856408 414511761 /nfs/dbraw/zinc/51/17/61/414511761.db2.gz KIFTYEFQNPLRPM-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[NH+]1CC[C@H](NC(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC000660856408 414511765 /nfs/dbraw/zinc/51/17/65/414511765.db2.gz KIFTYEFQNPLRPM-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000661490454 414634503 /nfs/dbraw/zinc/63/45/03/414634503.db2.gz HQPASVRSMKGVQI-KFWWJZLASA-N 2 2 286.416 0.284 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000661490454 414634508 /nfs/dbraw/zinc/63/45/08/414634508.db2.gz HQPASVRSMKGVQI-KFWWJZLASA-N 2 2 286.416 0.284 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000661490454 414634511 /nfs/dbraw/zinc/63/45/11/414634511.db2.gz HQPASVRSMKGVQI-KFWWJZLASA-N 2 2 286.416 0.284 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000661490454 414634515 /nfs/dbraw/zinc/63/45/15/414634515.db2.gz HQPASVRSMKGVQI-KFWWJZLASA-N 2 2 286.416 0.284 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)C1CC1 ZINC000661597291 414648140 /nfs/dbraw/zinc/64/81/40/414648140.db2.gz PHUQTFKAIGEJLS-XBFCOCLRSA-N 2 2 281.400 0.042 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)C1CC1 ZINC000661597291 414648142 /nfs/dbraw/zinc/64/81/42/414648142.db2.gz PHUQTFKAIGEJLS-XBFCOCLRSA-N 2 2 281.400 0.042 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)C1CC1 ZINC000661597291 414648143 /nfs/dbraw/zinc/64/81/43/414648143.db2.gz PHUQTFKAIGEJLS-XBFCOCLRSA-N 2 2 281.400 0.042 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1)C1CC1 ZINC000661597291 414648145 /nfs/dbraw/zinc/64/81/45/414648145.db2.gz PHUQTFKAIGEJLS-XBFCOCLRSA-N 2 2 281.400 0.042 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000040462476 174271727 /nfs/dbraw/zinc/27/17/27/174271727.db2.gz GMVQQBGVVRMQEG-TUAOUCFPSA-N 2 2 257.378 0.197 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040601437 174351482 /nfs/dbraw/zinc/35/14/82/174351482.db2.gz OBSAGELUQIAOTE-WDEREUQCSA-N 2 2 270.377 0.152 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040601437 174351483 /nfs/dbraw/zinc/35/14/83/174351483.db2.gz OBSAGELUQIAOTE-WDEREUQCSA-N 2 2 270.377 0.152 20 0 CCADLP CO[C@H](C)c1noc(C[N@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662258534 414701326 /nfs/dbraw/zinc/70/13/26/414701326.db2.gz JRIPAKYHYRZWQM-GHMZBOCLSA-N 2 2 296.371 0.730 20 0 CCADLP CO[C@H](C)c1noc(C[N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662258534 414701327 /nfs/dbraw/zinc/70/13/27/414701327.db2.gz JRIPAKYHYRZWQM-GHMZBOCLSA-N 2 2 296.371 0.730 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662274871 414703947 /nfs/dbraw/zinc/70/39/47/414703947.db2.gz YBBOJRUECUBOGD-RBSFLKMASA-N 3 2 267.417 0.686 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662274871 414703948 /nfs/dbraw/zinc/70/39/48/414703948.db2.gz YBBOJRUECUBOGD-RBSFLKMASA-N 3 2 267.417 0.686 20 0 CCADLP Cc1nnsc1C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000662273695 414704180 /nfs/dbraw/zinc/70/41/80/414704180.db2.gz YLPJEUALXFOOKM-NSHDSACASA-N 2 2 297.428 0.666 20 0 CCADLP Cc1nnsc1C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000662273695 414704181 /nfs/dbraw/zinc/70/41/81/414704181.db2.gz YLPJEUALXFOOKM-NSHDSACASA-N 2 2 297.428 0.666 20 0 CCADLP CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@H]3C[NH2+]CCO3)[C@@H]2C1 ZINC000662279825 414705014 /nfs/dbraw/zinc/70/50/14/414705014.db2.gz MANHASKZCCCCBY-SYQHCUMBSA-N 2 2 270.373 0.243 20 0 CCADLP CO[C@@H]1CC[C@@H]2OCC[N@@H+](C[C@H]3C[NH2+]CCO3)[C@@H]2C1 ZINC000662279825 414705015 /nfs/dbraw/zinc/70/50/15/414705015.db2.gz MANHASKZCCCCBY-SYQHCUMBSA-N 2 2 270.373 0.243 20 0 CCADLP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662281239 414705892 /nfs/dbraw/zinc/70/58/92/414705892.db2.gz KQQOEKUSIKKIHQ-RRFJBIMHSA-N 3 2 283.416 0.193 20 0 CCADLP CCN1CC[C@@H]([NH+]2CCC([NH2+]CCOC)CC2)C1=O ZINC000662286847 414706713 /nfs/dbraw/zinc/70/67/13/414706713.db2.gz SNYZDVGLVUQKMJ-CYBMUJFWSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H]1CCCC[C@H]1N(C)C(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662287031 414706726 /nfs/dbraw/zinc/70/67/26/414706726.db2.gz QFWFOQUWHOWDMI-UONOGXRCSA-N 2 2 297.443 0.728 20 0 CCADLP COc1ccccc1NC(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662285896 414706926 /nfs/dbraw/zinc/70/69/26/414706926.db2.gz LUROEFQGYKQBBN-UHFFFAOYSA-N 2 2 293.367 0.338 20 0 CCADLP Cc1cc(C[N@H+](CC[NH3+])C[C@H](O)CO)c2ccccc2n1 ZINC000662289221 414707004 /nfs/dbraw/zinc/70/70/04/414707004.db2.gz YDAWHJSMIAOXEL-AWEZNQCLSA-N 2 2 289.379 0.657 20 0 CCADLP Cc1cc(C[N@@H+](CC[NH3+])C[C@H](O)CO)c2ccccc2n1 ZINC000662289221 414707005 /nfs/dbraw/zinc/70/70/05/414707005.db2.gz YDAWHJSMIAOXEL-AWEZNQCLSA-N 2 2 289.379 0.657 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295945 414707526 /nfs/dbraw/zinc/70/75/26/414707526.db2.gz WXGXQUXPWOTRSQ-LSDHHAIUSA-N 3 2 267.417 0.686 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295945 414707527 /nfs/dbraw/zinc/70/75/27/414707527.db2.gz WXGXQUXPWOTRSQ-LSDHHAIUSA-N 3 2 267.417 0.686 20 0 CCADLP CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CC3CC2(C[NH3+])C3)C1 ZINC000662304203 414708536 /nfs/dbraw/zinc/70/85/36/414708536.db2.gz MSVPXVVJAPBUAS-HIFPTAJRSA-N 2 2 287.429 0.081 20 0 CCADLP CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CC3CC2(C[NH3+])C3)C1 ZINC000662304203 414708537 /nfs/dbraw/zinc/70/85/37/414708537.db2.gz MSVPXVVJAPBUAS-HIFPTAJRSA-N 2 2 287.429 0.081 20 0 CCADLP [NH3+]CC12CC(C1)C[N@@H+]2CCc1nnnn1-c1ccccc1 ZINC000662306860 414708539 /nfs/dbraw/zinc/70/85/39/414708539.db2.gz GFGPIURAYINLLP-UHFFFAOYSA-N 2 2 284.367 0.628 20 0 CCADLP [NH3+]CC12CC(C1)C[N@H+]2CCc1nnnn1-c1ccccc1 ZINC000662306860 414708540 /nfs/dbraw/zinc/70/85/40/414708540.db2.gz GFGPIURAYINLLP-UHFFFAOYSA-N 2 2 284.367 0.628 20 0 CCADLP Cn1c[nH+]c(CN2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000662321309 414709395 /nfs/dbraw/zinc/70/93/95/414709395.db2.gz BFGLMUOLSDHINP-AWEZNQCLSA-N 2 2 266.389 0.963 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662328157 414710600 /nfs/dbraw/zinc/71/06/00/414710600.db2.gz ZKHDJCKEKORVSI-KFWWJZLASA-N 2 2 266.385 0.867 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662328157 414710601 /nfs/dbraw/zinc/71/06/01/414710601.db2.gz ZKHDJCKEKORVSI-KFWWJZLASA-N 2 2 266.385 0.867 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+]2CCC3(CCCC3=O)CC2)CC1 ZINC000661953883 414685219 /nfs/dbraw/zinc/68/52/19/414685219.db2.gz SIPCNSPTZHFXDJ-UHFFFAOYSA-N 2 2 293.411 0.596 20 0 CCADLP CN(C)C(=O)N(C)[C@@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000662010245 414686600 /nfs/dbraw/zinc/68/66/00/414686600.db2.gz CNVIUJSESTUWDM-GFCCVEGCSA-N 2 2 265.361 0.571 20 0 CCADLP CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000662010245 414686601 /nfs/dbraw/zinc/68/66/01/414686601.db2.gz CNVIUJSESTUWDM-GFCCVEGCSA-N 2 2 265.361 0.571 20 0 CCADLP O=c1ccccn1CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662153089 414694134 /nfs/dbraw/zinc/69/41/34/414694134.db2.gz NNRSCPBYWFAIJE-OAHLLOKOSA-N 2 2 291.395 0.379 20 0 CCADLP O=c1ccccn1CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662153089 414694135 /nfs/dbraw/zinc/69/41/35/414694135.db2.gz NNRSCPBYWFAIJE-OAHLLOKOSA-N 2 2 291.395 0.379 20 0 CCADLP CN1CCC[C@@H]([NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1=O ZINC000662152941 414694225 /nfs/dbraw/zinc/69/42/25/414694225.db2.gz JUXYRHXDAAZGGT-ZIAGYGMSSA-N 2 2 281.400 0.138 20 0 CCADLP CN1CCC[C@@H]([NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1=O ZINC000662152941 414694226 /nfs/dbraw/zinc/69/42/26/414694226.db2.gz JUXYRHXDAAZGGT-ZIAGYGMSSA-N 2 2 281.400 0.138 20 0 CCADLP CCN(CC)C(=O)[C@@H](C)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662154550 414694354 /nfs/dbraw/zinc/69/43/54/414694354.db2.gz GOOBHXUBBDHXTL-HIFRSBDPSA-N 2 2 297.443 0.774 20 0 CCADLP CCN(CC)C(=O)[C@@H](C)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662154550 414694355 /nfs/dbraw/zinc/69/43/55/414694355.db2.gz GOOBHXUBBDHXTL-HIFRSBDPSA-N 2 2 297.443 0.774 20 0 CCADLP O[C@H]([C@@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]CCO1)C(F)(F)F ZINC000662256977 414700614 /nfs/dbraw/zinc/70/06/14/414700614.db2.gz KVXOQAAHJFOUIA-LPEHRKFASA-N 2 2 268.279 0.362 20 0 CCADLP O[C@H]([C@@H]1CCC[N@H+]1C[C@@H]1C[NH2+]CCO1)C(F)(F)F ZINC000662256977 414700615 /nfs/dbraw/zinc/70/06/15/414700615.db2.gz KVXOQAAHJFOUIA-LPEHRKFASA-N 2 2 268.279 0.362 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662381786 414712796 /nfs/dbraw/zinc/71/27/96/414712796.db2.gz FBLKTUZSXRHEAE-GHMZBOCLSA-N 2 2 288.355 0.502 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662381787 414712869 /nfs/dbraw/zinc/71/28/69/414712869.db2.gz FBLKTUZSXRHEAE-MNOVXSKESA-N 2 2 288.355 0.502 20 0 CCADLP CC(C)[NH2+]CC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000662447418 414719003 /nfs/dbraw/zinc/71/90/03/414719003.db2.gz VPCFQTPOTCXVTJ-NEPJUHHUSA-N 2 2 257.378 0.210 20 0 CCADLP CC(C)[NH2+]CC(=O)NCCCNc1cccc[nH+]1 ZINC000662457599 414720025 /nfs/dbraw/zinc/72/00/25/414720025.db2.gz AZYWTKRGWSOMJN-UHFFFAOYSA-N 2 2 250.346 0.998 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000662632025 414734867 /nfs/dbraw/zinc/73/48/67/414734867.db2.gz WQINIAYFIJNRSM-NWDGAFQWSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000662632025 414734868 /nfs/dbraw/zinc/73/48/68/414734868.db2.gz WQINIAYFIJNRSM-NWDGAFQWSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)[C@@H](C)CO1 ZINC000662632342 414735324 /nfs/dbraw/zinc/73/53/24/414735324.db2.gz CHODXSZSVBPBNW-XFMPKHEZSA-N 2 2 281.400 0.211 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)[C@@H](C)CO1 ZINC000662632342 414735325 /nfs/dbraw/zinc/73/53/25/414735325.db2.gz CHODXSZSVBPBNW-XFMPKHEZSA-N 2 2 281.400 0.211 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662632330 414735393 /nfs/dbraw/zinc/73/53/93/414735393.db2.gz CBDXSDJQUXEFHK-QNWHQSFQSA-N 2 2 269.389 0.210 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662632330 414735394 /nfs/dbraw/zinc/73/53/94/414735394.db2.gz CBDXSDJQUXEFHK-QNWHQSFQSA-N 2 2 269.389 0.210 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)CC(F)(F)C[NH3+] ZINC000662633356 414735425 /nfs/dbraw/zinc/73/54/25/414735425.db2.gz KEDDFRJZKDZUHZ-ZJUUUORDSA-N 2 2 279.331 0.196 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)CC(F)(F)C[NH3+] ZINC000662633356 414735426 /nfs/dbraw/zinc/73/54/26/414735426.db2.gz KEDDFRJZKDZUHZ-ZJUUUORDSA-N 2 2 279.331 0.196 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)[C@@H](C)CO1 ZINC000662633495 414735500 /nfs/dbraw/zinc/73/55/00/414735500.db2.gz LIXSSRDKBFGFCA-FQLMCAECSA-N 2 2 295.427 0.602 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)[C@@H](C)CO1 ZINC000662633495 414735501 /nfs/dbraw/zinc/73/55/01/414735501.db2.gz LIXSSRDKBFGFCA-FQLMCAECSA-N 2 2 295.427 0.602 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C1([NH3+])CCC1 ZINC000662636170 414736215 /nfs/dbraw/zinc/73/62/15/414736215.db2.gz YNTUCFHXQSEDQY-MNOVXSKESA-N 2 2 255.362 0.093 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C1([NH3+])CCC1 ZINC000662636170 414736216 /nfs/dbraw/zinc/73/62/16/414736216.db2.gz YNTUCFHXQSEDQY-MNOVXSKESA-N 2 2 255.362 0.093 20 0 CCADLP [NH3+]C1(C(=O)NCC[NH+]2CCOCC2)CC2(CCC2)C1 ZINC000662658661 414737985 /nfs/dbraw/zinc/73/79/85/414737985.db2.gz HAVOVRXUOXYGAD-UHFFFAOYSA-N 2 2 267.373 0.096 20 0 CCADLP COCC[NH+]1CCN(C(=O)c2cc(C(C)(C)[NH3+])no2)CC1 ZINC000662670817 414739662 /nfs/dbraw/zinc/73/96/62/414739662.db2.gz MUVOJTMOTKDNKJ-UHFFFAOYSA-N 2 2 296.371 0.273 20 0 CCADLP [NH3+][C@H]1C[C@H](C(=O)NCc2ccc[nH+]c2N2CCOCC2)C1 ZINC000662675078 414739803 /nfs/dbraw/zinc/73/98/03/414739803.db2.gz IQBMJZYMQWBYPO-JOCQHMNTSA-N 2 2 290.367 0.272 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@@H](CCF)C1 ZINC000662689329 414741584 /nfs/dbraw/zinc/74/15/84/414741584.db2.gz UMSIDAZRARRQCN-RYUDHWBXSA-N 2 2 259.369 0.864 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[C@@H](Oc2ccccc2)C1 ZINC000662712865 414745470 /nfs/dbraw/zinc/74/54/70/414745470.db2.gz MFGZACYAPBTMOM-HUUCEWRRSA-N 2 2 291.395 0.945 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662714709 414745844 /nfs/dbraw/zinc/74/58/44/414745844.db2.gz LUTKYRXFWLIMII-GFCCVEGCSA-N 2 2 281.400 0.498 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662714709 414745845 /nfs/dbraw/zinc/74/58/45/414745845.db2.gz LUTKYRXFWLIMII-GFCCVEGCSA-N 2 2 281.400 0.498 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCOc2ccc(O)cc2C1 ZINC000662736410 414749497 /nfs/dbraw/zinc/74/94/97/414749497.db2.gz SSSURLJVAKGYJS-CYBMUJFWSA-N 2 2 293.367 0.392 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662798599 414802571 /nfs/dbraw/zinc/80/25/71/414802571.db2.gz DWZFEYIJQXQETD-NEPJUHHUSA-N 2 2 266.345 0.095 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000662858337 414848276 /nfs/dbraw/zinc/84/82/76/414848276.db2.gz GKKRDRSEWPREQC-OLZOCXBDSA-N 2 2 285.432 0.977 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000662858337 414848277 /nfs/dbraw/zinc/84/82/77/414848277.db2.gz GKKRDRSEWPREQC-OLZOCXBDSA-N 2 2 285.432 0.977 20 0 CCADLP CC[C@]1(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)CCC[NH2+]1 ZINC000662857974 414848887 /nfs/dbraw/zinc/84/88/87/414848887.db2.gz DGMDHAWJGPNJMF-GZBFAFLISA-N 2 2 283.416 0.744 20 0 CCADLP CC[C@]1(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)CCC[NH2+]1 ZINC000662857974 414848891 /nfs/dbraw/zinc/84/88/91/414848891.db2.gz DGMDHAWJGPNJMF-GZBFAFLISA-N 2 2 283.416 0.744 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C2([NH3+])CC3(CCC3)C2)[C@@H](C)CO1 ZINC000662858674 414849269 /nfs/dbraw/zinc/84/92/69/414849269.db2.gz HIWZMAMHGVNLEU-QWHCGFSZSA-N 2 2 295.427 0.873 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2([NH3+])CC3(CCC3)C2)[C@@H](C)CO1 ZINC000662858674 414849273 /nfs/dbraw/zinc/84/92/73/414849273.db2.gz HIWZMAMHGVNLEU-QWHCGFSZSA-N 2 2 295.427 0.873 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000662860496 414851846 /nfs/dbraw/zinc/85/18/46/414851846.db2.gz SCCHEDXSVFJZDC-FRRDWIJNSA-N 2 2 269.389 0.354 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000662860496 414851852 /nfs/dbraw/zinc/85/18/52/414851852.db2.gz SCCHEDXSVFJZDC-FRRDWIJNSA-N 2 2 269.389 0.354 20 0 CCADLP Nc1cc[nH+]cc1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662870719 414855875 /nfs/dbraw/zinc/85/58/75/414855875.db2.gz MIZCURRCZXAONF-LLVKDONJSA-N 2 2 276.340 0.041 20 0 CCADLP [NH3+]CC12CC(C1)CN2C(=O)Cc1cn2ccccc2[nH+]1 ZINC000662876467 414862834 /nfs/dbraw/zinc/86/28/34/414862834.db2.gz WUQAMCYZHBRBMM-UHFFFAOYSA-N 2 2 270.336 0.827 20 0 CCADLP CN(C(=O)[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899109 414879409 /nfs/dbraw/zinc/87/94/09/414879409.db2.gz BHNDZOIVWWSQNA-VNHYZAJKSA-N 3 2 294.443 0.351 20 0 CCADLP CN(C(=O)[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899109 414879414 /nfs/dbraw/zinc/87/94/14/414879414.db2.gz BHNDZOIVWWSQNA-VNHYZAJKSA-N 3 2 294.443 0.351 20 0 CCADLP C[NH2+][C@@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900164 414879720 /nfs/dbraw/zinc/87/97/20/414879720.db2.gz JOONHLKAOUYUPA-JSGCOSHPSA-N 3 2 282.432 0.221 20 0 CCADLP C[NH2+][C@@H](C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900164 414879722 /nfs/dbraw/zinc/87/97/22/414879722.db2.gz JOONHLKAOUYUPA-JSGCOSHPSA-N 3 2 282.432 0.221 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899913 414880579 /nfs/dbraw/zinc/88/05/79/414880579.db2.gz HVXBVHFCWXXRNG-CABCVRRESA-N 3 2 296.459 0.611 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899913 414880582 /nfs/dbraw/zinc/88/05/82/414880582.db2.gz HVXBVHFCWXXRNG-CABCVRRESA-N 3 2 296.459 0.611 20 0 CCADLP [NH3+]C1(CC(=O)N(CC[NH+]2CCOCC2)CC2CC2)CC1 ZINC000662911912 414886335 /nfs/dbraw/zinc/88/63/35/414886335.db2.gz XERMICQZZKRJBF-UHFFFAOYSA-N 2 2 281.400 0.439 20 0 CCADLP C[C@@]1(NC(=O)C2CC[NH+](CC(F)F)CC2)CC[NH2+]C1 ZINC000663013265 414950303 /nfs/dbraw/zinc/95/03/03/414950303.db2.gz KLSQPESWQZFATR-CYBMUJFWSA-N 2 2 275.343 0.832 20 0 CCADLP Nc1nc(-n2cccn2)cc(N[C@@H]2CC[N@@H+](C3CC3)C2)[nH+]1 ZINC000663428319 415062963 /nfs/dbraw/zinc/06/29/63/415062963.db2.gz HHFUHGCWEUEOCD-SNVBAGLBSA-N 2 2 285.355 0.893 20 0 CCADLP Nc1nc(-n2cccn2)cc(N[C@@H]2CC[N@H+](C3CC3)C2)[nH+]1 ZINC000663428319 415062971 /nfs/dbraw/zinc/06/29/71/415062971.db2.gz HHFUHGCWEUEOCD-SNVBAGLBSA-N 2 2 285.355 0.893 20 0 CCADLP COc1c(N)[nH+]cnc1N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000663238870 415024349 /nfs/dbraw/zinc/02/43/49/415024349.db2.gz IPWCOTOPUIDDPC-LLVKDONJSA-N 2 2 277.372 0.893 20 0 CCADLP COc1c(N)nc[nH+]c1N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000663238870 415024355 /nfs/dbraw/zinc/02/43/55/415024355.db2.gz IPWCOTOPUIDDPC-LLVKDONJSA-N 2 2 277.372 0.893 20 0 CCADLP Cn1cc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)cn1 ZINC000663789235 415135662 /nfs/dbraw/zinc/13/56/62/415135662.db2.gz XEJZAHQIYMDDNT-UHFFFAOYSA-N 2 2 296.419 0.103 20 0 CCADLP Cn1cc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000663789235 415135667 /nfs/dbraw/zinc/13/56/67/415135667.db2.gz XEJZAHQIYMDDNT-UHFFFAOYSA-N 2 2 296.419 0.103 20 0 CCADLP COCc1nnc(NCC[N@H+](C)CCC[NH+](C)C)s1 ZINC000664247892 415299746 /nfs/dbraw/zinc/29/97/46/415299746.db2.gz JSAKJMQQVVVXSY-UHFFFAOYSA-N 2 2 287.433 0.980 20 0 CCADLP COCc1nnc(NCC[N@@H+](C)CCC[NH+](C)C)s1 ZINC000664247892 415299753 /nfs/dbraw/zinc/29/97/53/415299753.db2.gz JSAKJMQQVVVXSY-UHFFFAOYSA-N 2 2 287.433 0.980 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCCc1cn[nH]c1 ZINC000664922858 415488436 /nfs/dbraw/zinc/48/84/36/415488436.db2.gz UTVYITDEFBHDPT-UHFFFAOYSA-N 2 2 296.419 0.135 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCCc1cn[nH]c1 ZINC000664922858 415488439 /nfs/dbraw/zinc/48/84/39/415488439.db2.gz UTVYITDEFBHDPT-UHFFFAOYSA-N 2 2 296.419 0.135 20 0 CCADLP CCS(=O)(=O)C1(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000665275216 415583375 /nfs/dbraw/zinc/58/33/75/415583375.db2.gz FNERFJRDWPTPJY-GHMZBOCLSA-N 2 2 260.403 0.541 20 0 CCADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000665296781 415591665 /nfs/dbraw/zinc/59/16/65/415591665.db2.gz XQHXDLNYBSXWHC-ZJUUUORDSA-N 2 2 271.386 0.593 20 0 CCADLP CCn1nccc1C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000665299755 415593237 /nfs/dbraw/zinc/59/32/37/415593237.db2.gz RZIIPZWCEQJONG-VXGBXAGGSA-N 2 2 252.362 0.760 20 0 CCADLP COC[C@@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000071264081 176097199 /nfs/dbraw/zinc/09/71/99/176097199.db2.gz HBYQPPCALYLFEG-AWEZNQCLSA-N 2 2 261.325 0.969 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC12CCOCC2)C1CC1 ZINC000685910484 545867440 /nfs/dbraw/zinc/86/74/40/545867440.db2.gz HJOVBWFXDXFAPD-CYBMUJFWSA-N 2 2 254.374 0.696 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC12CCOCC2)C1CC1 ZINC000685910484 545867444 /nfs/dbraw/zinc/86/74/44/545867444.db2.gz HJOVBWFXDXFAPD-CYBMUJFWSA-N 2 2 254.374 0.696 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC12CCOCC2)C1CC1 ZINC000685910484 545867451 /nfs/dbraw/zinc/86/74/51/545867451.db2.gz HJOVBWFXDXFAPD-CYBMUJFWSA-N 2 2 254.374 0.696 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCC12CCOCC2)C1CC1 ZINC000685910484 545867456 /nfs/dbraw/zinc/86/74/56/545867456.db2.gz HJOVBWFXDXFAPD-CYBMUJFWSA-N 2 2 254.374 0.696 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000351863908 299000609 /nfs/dbraw/zinc/00/06/09/299000609.db2.gz VOJBBDZRJMZEGP-LPEHRKFASA-N 2 2 279.306 0.819 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000351863908 299000611 /nfs/dbraw/zinc/00/06/11/299000611.db2.gz VOJBBDZRJMZEGP-LPEHRKFASA-N 2 2 279.306 0.819 20 0 CCADLP C[N@@H+]1CC[C@@H]2CC[NH+](C[C@@H]3CNc4ccnn4C3)[C@H]2C1 ZINC000684199766 545629754 /nfs/dbraw/zinc/62/97/54/545629754.db2.gz JMWMICDAORCMHQ-MJBXVCDLSA-N 2 2 275.400 0.951 20 0 CCADLP C[N@H+]1CC[C@@H]2CC[NH+](C[C@@H]3CNc4ccnn4C3)[C@H]2C1 ZINC000684199766 545629758 /nfs/dbraw/zinc/62/97/58/545629758.db2.gz JMWMICDAORCMHQ-MJBXVCDLSA-N 2 2 275.400 0.951 20 0 CCADLP C[NH+]1CC[C@@H]2CC[N@H+](C[C@@H]3CNc4ccnn4C3)[C@H]2C1 ZINC000684199766 545629761 /nfs/dbraw/zinc/62/97/61/545629761.db2.gz JMWMICDAORCMHQ-MJBXVCDLSA-N 2 2 275.400 0.951 20 0 CCADLP C[NH+]1CC[C@@H]2CC[N@@H+](C[C@@H]3CNc4ccnn4C3)[C@H]2C1 ZINC000684199766 545629764 /nfs/dbraw/zinc/62/97/64/545629764.db2.gz JMWMICDAORCMHQ-MJBXVCDLSA-N 2 2 275.400 0.951 20 0 CCADLP CCn1c[nH+]cc1CN1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000418104434 228051697 /nfs/dbraw/zinc/05/16/97/228051697.db2.gz ADBWTKGHGZPKJE-STQMWFEESA-N 2 2 266.389 0.790 20 0 CCADLP C[C@@H]1CCC[N@H+](CCN2C(=O)NC(C)(C)C2=O)[C@@H]1C[NH3+] ZINC000070177947 544450523 /nfs/dbraw/zinc/45/05/23/544450523.db2.gz DPTVIGHUBNIYSJ-GHMZBOCLSA-N 2 2 282.388 0.376 20 0 CCADLP C[C@@H]1CCC[N@@H+](CCN2C(=O)NC(C)(C)C2=O)[C@@H]1C[NH3+] ZINC000070177947 544450524 /nfs/dbraw/zinc/45/05/24/544450524.db2.gz DPTVIGHUBNIYSJ-GHMZBOCLSA-N 2 2 282.388 0.376 20 0 CCADLP CN(C)C(=O)C[NH+]1CCN(CC[NH+]2CCCCC2)CC1 ZINC000072980219 544453508 /nfs/dbraw/zinc/45/35/08/544453508.db2.gz STNUMTFQKKVAJB-UHFFFAOYSA-N 2 2 282.432 0.178 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc(C[NH3+])o1 ZINC000094565894 544545351 /nfs/dbraw/zinc/54/53/51/544545351.db2.gz IURXGRJAGNVAIS-SNVBAGLBSA-N 2 2 267.329 0.189 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNc1ncnc2c1C[N@H+](C)CC2 ZINC000624620058 419422814 /nfs/dbraw/zinc/42/28/14/419422814.db2.gz UAROCJAWMPIVBF-NSHDSACASA-N 2 2 277.372 0.207 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNc1ncnc2c1C[N@@H+](C)CC2 ZINC000624620058 419422825 /nfs/dbraw/zinc/42/28/25/419422825.db2.gz UAROCJAWMPIVBF-NSHDSACASA-N 2 2 277.372 0.207 20 0 CCADLP C[NH+]1CCc2ncnc(NC[C@H]3COCC[N@@H+]3C)c2C1 ZINC000624620058 419422832 /nfs/dbraw/zinc/42/28/32/419422832.db2.gz UAROCJAWMPIVBF-NSHDSACASA-N 2 2 277.372 0.207 20 0 CCADLP C[NH+]1CCc2ncnc(NC[C@H]3COCC[N@H+]3C)c2C1 ZINC000624620058 419422839 /nfs/dbraw/zinc/42/28/39/419422839.db2.gz UAROCJAWMPIVBF-NSHDSACASA-N 2 2 277.372 0.207 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC(C)(F)C2)CC1 ZINC000684277024 545639338 /nfs/dbraw/zinc/63/93/38/545639338.db2.gz BPVSONVDBKLGLY-UHFFFAOYSA-N 2 2 286.395 0.766 20 0 CCADLP C[C@H](CO)C[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000120893034 544575604 /nfs/dbraw/zinc/57/56/04/544575604.db2.gz UPLLBBGFVNMKAJ-LBPRGKRZSA-N 2 2 252.362 0.166 20 0 CCADLP CC(C)[C@@H](CNC(=O)c1ccc(C[NH3+])o1)[NH+]1CCOCC1 ZINC000164309831 544720328 /nfs/dbraw/zinc/72/03/28/544720328.db2.gz ACAJLKVBAXFIDV-CYBMUJFWSA-N 2 2 295.383 0.825 20 0 CCADLP C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000229330084 544848468 /nfs/dbraw/zinc/84/84/68/544848468.db2.gz FQXLKSJGYLKKOA-YUMQZZPRSA-N 2 2 253.268 0.334 20 0 CCADLP C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000229330084 544848472 /nfs/dbraw/zinc/84/84/72/544848472.db2.gz FQXLKSJGYLKKOA-YUMQZZPRSA-N 2 2 253.268 0.334 20 0 CCADLP Cc1cc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])nnc1C ZINC000520541453 420392191 /nfs/dbraw/zinc/39/21/91/420392191.db2.gz LWGMGRKWAUFUGU-LLVKDONJSA-N 2 2 278.360 0.200 20 0 CCADLP Cc1cc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])nnc1C ZINC000520541453 420392195 /nfs/dbraw/zinc/39/21/95/420392195.db2.gz LWGMGRKWAUFUGU-LLVKDONJSA-N 2 2 278.360 0.200 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])[C@@H](C)[NH+]1CCOCC1 ZINC000237354052 544893373 /nfs/dbraw/zinc/89/33/73/544893373.db2.gz RXKHPOLYLAGGOR-LPWJVIDDSA-N 2 2 269.389 0.339 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C[NH3+])o2)C1 ZINC000236782415 544887558 /nfs/dbraw/zinc/88/75/58/544887558.db2.gz CXZNZUCNLDVZHE-CYBMUJFWSA-N 2 2 295.383 0.825 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(C[NH3+])o2)C1 ZINC000236782415 544887565 /nfs/dbraw/zinc/88/75/65/544887565.db2.gz CXZNZUCNLDVZHE-CYBMUJFWSA-N 2 2 295.383 0.825 20 0 CCADLP Cc1cc(N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)nc(C)[nH+]1 ZINC000251702993 544927088 /nfs/dbraw/zinc/92/70/88/544927088.db2.gz KBGHPYQTDQIOSW-NEPJUHHUSA-N 2 2 264.373 0.985 20 0 CCADLP Cc1cc(N2CC[N@H+](C[C@H](C)O)C[C@H]2C)nc(C)[nH+]1 ZINC000251702993 544927093 /nfs/dbraw/zinc/92/70/93/544927093.db2.gz KBGHPYQTDQIOSW-NEPJUHHUSA-N 2 2 264.373 0.985 20 0 CCADLP COc1cc[nH+]c(CN2CCO[C@@H]([C@H](C)[NH3+])C2)c1OC ZINC000300154119 544979197 /nfs/dbraw/zinc/97/91/97/544979197.db2.gz NSGWRZXWGFHDLX-GXFFZTMASA-N 2 2 281.356 0.647 20 0 CCADLP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334229482 545046075 /nfs/dbraw/zinc/04/60/75/545046075.db2.gz IHNKLJQJPHHATN-PWSUYJOCSA-N 2 2 273.327 0.586 20 0 CCADLP CC(C)(C)NC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000336440537 545050749 /nfs/dbraw/zinc/05/07/49/545050749.db2.gz UCOYZSRNJPPKGD-AWEZNQCLSA-N 2 2 253.390 0.977 20 0 CCADLP CC(C)(C)NC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000336440537 545050750 /nfs/dbraw/zinc/05/07/50/545050750.db2.gz UCOYZSRNJPPKGD-AWEZNQCLSA-N 2 2 253.390 0.977 20 0 CCADLP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000336631188 545051035 /nfs/dbraw/zinc/05/10/35/545051035.db2.gz CBOLUUXIDVKZLQ-QWRGUYRKSA-N 2 2 250.346 0.893 20 0 CCADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000336631188 545051037 /nfs/dbraw/zinc/05/10/37/545051037.db2.gz CBOLUUXIDVKZLQ-QWRGUYRKSA-N 2 2 250.346 0.893 20 0 CCADLP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000336631188 545051038 /nfs/dbraw/zinc/05/10/38/545051038.db2.gz CBOLUUXIDVKZLQ-QWRGUYRKSA-N 2 2 250.346 0.893 20 0 CCADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000336631188 545051039 /nfs/dbraw/zinc/05/10/39/545051039.db2.gz CBOLUUXIDVKZLQ-QWRGUYRKSA-N 2 2 250.346 0.893 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000336585237 545051122 /nfs/dbraw/zinc/05/11/22/545051122.db2.gz VZSCTXFTELOPCP-SMDDNHRTSA-N 2 2 251.374 0.729 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000336585237 545051123 /nfs/dbraw/zinc/05/11/23/545051123.db2.gz VZSCTXFTELOPCP-SMDDNHRTSA-N 2 2 251.374 0.729 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000523117974 269784446 /nfs/dbraw/zinc/78/44/46/269784446.db2.gz FBIGUPLDXQHUMK-NSHDSACASA-N 2 2 297.322 0.677 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCN(CC(F)(F)F)C1 ZINC000521423722 262325947 /nfs/dbraw/zinc/32/59/47/262325947.db2.gz KMKYPNYQGMRGQO-IJLUTSLNSA-N 2 2 295.349 0.980 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NCc2[nH]c(C)c(C)[nH+]2)C1 ZINC000519001381 265289396 /nfs/dbraw/zinc/28/93/96/265289396.db2.gz YSKWOXYFDZYLOX-GFCCVEGCSA-N 2 2 252.362 0.837 20 0 CCADLP COCC[N@H+]1CC[C@@H](NCc2[nH]c(C)c(C)[nH+]2)C1 ZINC000519001381 265289402 /nfs/dbraw/zinc/28/94/02/265289402.db2.gz YSKWOXYFDZYLOX-GFCCVEGCSA-N 2 2 252.362 0.837 20 0 CCADLP Cc1[nH+]cc(CNCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)n1C ZINC000519000901 265292483 /nfs/dbraw/zinc/29/24/83/265292483.db2.gz KXTVPMIBBZZROR-CYBMUJFWSA-N 2 2 293.415 0.406 20 0 CCADLP Cc1[nH+]cc(CNCCC[N@H+]2CCC[C@@H](C(N)=O)C2)n1C ZINC000519000901 265292485 /nfs/dbraw/zinc/29/24/85/265292485.db2.gz KXTVPMIBBZZROR-CYBMUJFWSA-N 2 2 293.415 0.406 20 0 CCADLP CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976804 275587327 /nfs/dbraw/zinc/58/73/27/275587327.db2.gz QTJBUJXDJAPFPI-CHWSQXEVSA-N 2 2 269.389 0.293 20 0 CCADLP CC(C)[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C(=O)N1CCOCC1 ZINC000422848009 276022953 /nfs/dbraw/zinc/02/29/53/276022953.db2.gz JCTKORVPVKSDKZ-MJBXVCDLSA-N 2 2 283.416 0.600 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000356479455 276207089 /nfs/dbraw/zinc/20/70/89/276207089.db2.gz YZTQNXNFQGVQLJ-NWDGAFQWSA-N 2 2 278.356 0.035 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000356479455 276207090 /nfs/dbraw/zinc/20/70/90/276207090.db2.gz YZTQNXNFQGVQLJ-NWDGAFQWSA-N 2 2 278.356 0.035 20 0 CCADLP CC[N@@H+]1CC[C@@H]2OCCN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C1 ZINC000355363412 276217930 /nfs/dbraw/zinc/21/79/30/276217930.db2.gz CDQBVIRIKPAFIE-STQMWFEESA-N 2 2 292.383 0.664 20 0 CCADLP CC[N@H+]1CC[C@@H]2OCCN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C1 ZINC000355363412 276217931 /nfs/dbraw/zinc/21/79/31/276217931.db2.gz CDQBVIRIKPAFIE-STQMWFEESA-N 2 2 292.383 0.664 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC000344217264 276243189 /nfs/dbraw/zinc/24/31/89/276243189.db2.gz QYDLHKTXSPGBQC-HIFRSBDPSA-N 3 2 269.433 0.621 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC000344217264 276243192 /nfs/dbraw/zinc/24/31/92/276243192.db2.gz QYDLHKTXSPGBQC-HIFRSBDPSA-N 3 2 269.433 0.621 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000514612532 276307217 /nfs/dbraw/zinc/30/72/17/276307217.db2.gz POHFMQKQWZJNRF-XGUBFFRZSA-N 2 2 286.416 0.567 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000514612532 276307219 /nfs/dbraw/zinc/30/72/19/276307219.db2.gz POHFMQKQWZJNRF-XGUBFFRZSA-N 2 2 286.416 0.567 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000514612532 276307220 /nfs/dbraw/zinc/30/72/20/276307220.db2.gz POHFMQKQWZJNRF-XGUBFFRZSA-N 2 2 286.416 0.567 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000514612532 276307221 /nfs/dbraw/zinc/30/72/21/276307221.db2.gz POHFMQKQWZJNRF-XGUBFFRZSA-N 2 2 286.416 0.567 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427846707 276388888 /nfs/dbraw/zinc/38/88/88/276388888.db2.gz IPRRJTLVQNGTTH-MNOVXSKESA-N 2 2 271.386 0.611 20 0 CCADLP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263267196 276829701 /nfs/dbraw/zinc/82/97/01/276829701.db2.gz RSUIMFFKUGYURG-ZJUUUORDSA-N 2 2 261.316 0.536 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+](C[C@@H]2CCOC2)C2CC2)CC1 ZINC000120675685 277090014 /nfs/dbraw/zinc/09/00/14/277090014.db2.gz PYFMRHXPKADLST-ZDUSSCGKSA-N 2 2 281.400 0.261 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+](C[C@@H]2CCOC2)C2CC2)CC1 ZINC000120675685 277090015 /nfs/dbraw/zinc/09/00/15/277090015.db2.gz PYFMRHXPKADLST-ZDUSSCGKSA-N 2 2 281.400 0.261 20 0 CCADLP COC(=O)[C@H](C)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344035420 277117312 /nfs/dbraw/zinc/11/73/12/277117312.db2.gz SIUCEXCHKBJAOG-LBPRGKRZSA-N 2 2 259.394 0.363 20 0 CCADLP COC(=O)[C@H](C)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344035420 277117313 /nfs/dbraw/zinc/11/73/13/277117313.db2.gz SIUCEXCHKBJAOG-LBPRGKRZSA-N 2 2 259.394 0.363 20 0 CCADLP CC(C)CN(C(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1)C(C)C ZINC000420394254 277370095 /nfs/dbraw/zinc/37/00/95/277370095.db2.gz RNCFUJDZZWBDPS-CQSZACIVSA-N 2 2 285.432 0.929 20 0 CCADLP CC(C)CN(C(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1)C(C)C ZINC000420394254 277370096 /nfs/dbraw/zinc/37/00/96/277370096.db2.gz RNCFUJDZZWBDPS-CQSZACIVSA-N 2 2 285.432 0.929 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC[N@H+]1C ZINC000356832631 278090626 /nfs/dbraw/zinc/09/06/26/278090626.db2.gz ATDHKUWKNHSGAP-FRRDWIJNSA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC[N@@H+]1C ZINC000356832631 278090627 /nfs/dbraw/zinc/09/06/27/278090627.db2.gz ATDHKUWKNHSGAP-FRRDWIJNSA-N 2 2 276.384 0.997 20 0 CCADLP CSCC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131143683 278129918 /nfs/dbraw/zinc/12/99/18/278129918.db2.gz CQSSTVMLGLNIPD-GFCCVEGCSA-N 2 2 271.430 0.764 20 0 CCADLP CSCC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131143683 278129919 /nfs/dbraw/zinc/12/99/19/278129919.db2.gz CQSSTVMLGLNIPD-GFCCVEGCSA-N 2 2 271.430 0.764 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000133931600 278217539 /nfs/dbraw/zinc/21/75/39/278217539.db2.gz QUEIWQBWNRNENC-JHJVBQTASA-N 2 2 253.390 0.580 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1)C(C)C ZINC000300300372 278234440 /nfs/dbraw/zinc/23/44/40/278234440.db2.gz DOXUPYJEAYTNHR-DZGCQCFKSA-N 2 2 283.416 0.790 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1)C(C)C ZINC000300300372 278234442 /nfs/dbraw/zinc/23/44/42/278234442.db2.gz DOXUPYJEAYTNHR-DZGCQCFKSA-N 2 2 283.416 0.790 20 0 CCADLP C[C@@H](CC[S@@](C)=O)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000127970088 278235588 /nfs/dbraw/zinc/23/55/88/278235588.db2.gz OZLBNMHUGLZAJL-YPMLDQLKSA-N 2 2 272.418 0.733 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CCCC[NH2+]1 ZINC000422743528 278257928 /nfs/dbraw/zinc/25/79/28/278257928.db2.gz RQNUJJYWRTWLNJ-ZNMIVQPWSA-N 3 2 296.459 0.694 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CCCC[NH2+]1 ZINC000422743528 278257929 /nfs/dbraw/zinc/25/79/29/278257929.db2.gz RQNUJJYWRTWLNJ-ZNMIVQPWSA-N 3 2 296.459 0.694 20 0 CCADLP CC(C)([NH3+])C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000236797155 278626840 /nfs/dbraw/zinc/62/68/40/278626840.db2.gz RYMBRYTVFWIQHZ-ZDUSSCGKSA-N 2 2 287.429 0.048 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000341261803 288091662 /nfs/dbraw/zinc/09/16/62/288091662.db2.gz DODQDCAZQUZDFJ-FVCCEPFGSA-N 2 2 269.389 0.162 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000341261803 288091664 /nfs/dbraw/zinc/09/16/64/288091664.db2.gz DODQDCAZQUZDFJ-FVCCEPFGSA-N 2 2 269.389 0.162 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000515069075 279033506 /nfs/dbraw/zinc/03/35/06/279033506.db2.gz SEDZWPOIEAEGIC-SNVBAGLBSA-N 2 2 266.332 0.391 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000515069075 279033508 /nfs/dbraw/zinc/03/35/08/279033508.db2.gz SEDZWPOIEAEGIC-SNVBAGLBSA-N 2 2 266.332 0.391 20 0 CCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000247044345 279074878 /nfs/dbraw/zinc/07/48/78/279074878.db2.gz VMYQRDYTOCMKII-CABCVRRESA-N 2 2 297.443 0.897 20 0 CCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000247044345 279074879 /nfs/dbraw/zinc/07/48/79/279074879.db2.gz VMYQRDYTOCMKII-CABCVRRESA-N 2 2 297.443 0.897 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@]1(O)CC[NH+](C)C1 ZINC000358250869 288105111 /nfs/dbraw/zinc/10/51/11/288105111.db2.gz LPRUMUVWTCQPRR-YIYPIFLZSA-N 3 2 255.406 0.371 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@]1(O)CC[NH+](C)C1 ZINC000358250869 288105113 /nfs/dbraw/zinc/10/51/13/288105113.db2.gz LPRUMUVWTCQPRR-YIYPIFLZSA-N 3 2 255.406 0.371 20 0 CCADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358250869 288105115 /nfs/dbraw/zinc/10/51/15/288105115.db2.gz LPRUMUVWTCQPRR-YIYPIFLZSA-N 3 2 255.406 0.371 20 0 CCADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358250869 288105116 /nfs/dbraw/zinc/10/51/16/288105116.db2.gz LPRUMUVWTCQPRR-YIYPIFLZSA-N 3 2 255.406 0.371 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000370519298 279345231 /nfs/dbraw/zinc/34/52/31/279345231.db2.gz WAMHQTIIQFZKBP-HNNXBMFYSA-N 2 2 295.427 0.794 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000370519298 279345233 /nfs/dbraw/zinc/34/52/33/279345233.db2.gz WAMHQTIIQFZKBP-HNNXBMFYSA-N 2 2 295.427 0.794 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000357335656 279346190 /nfs/dbraw/zinc/34/61/90/279346190.db2.gz KJHITQXUYYDCOB-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCOC(C)(C)C2)CC1 ZINC000357335656 279346193 /nfs/dbraw/zinc/34/61/93/279346193.db2.gz KJHITQXUYYDCOB-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000488603189 279357223 /nfs/dbraw/zinc/35/72/23/279357223.db2.gz ASVXJHVKQIMWLD-CQSZACIVSA-N 2 2 298.431 0.489 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000488603189 279357226 /nfs/dbraw/zinc/35/72/26/279357226.db2.gz ASVXJHVKQIMWLD-CQSZACIVSA-N 2 2 298.431 0.489 20 0 CCADLP CC(C)[NH+](C)CCNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000488603189 279357227 /nfs/dbraw/zinc/35/72/27/279357227.db2.gz ASVXJHVKQIMWLD-CQSZACIVSA-N 2 2 298.431 0.489 20 0 CCADLP CC(C)[NH+](C)CCNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000488603189 279357230 /nfs/dbraw/zinc/35/72/30/279357230.db2.gz ASVXJHVKQIMWLD-CQSZACIVSA-N 2 2 298.431 0.489 20 0 CCADLP Cn1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@H](C[NH3+])C3)C2=O)n1 ZINC000430642615 279362221 /nfs/dbraw/zinc/36/22/21/279362221.db2.gz VMZAWDITIZPPTJ-CHWSQXEVSA-N 2 2 291.399 0.586 20 0 CCADLP Cn1ccc(N2CCC[C@@H]([N@H+]3CCC[C@H](C[NH3+])C3)C2=O)n1 ZINC000430642615 279362223 /nfs/dbraw/zinc/36/22/23/279362223.db2.gz VMZAWDITIZPPTJ-CHWSQXEVSA-N 2 2 291.399 0.586 20 0 CCADLP CCNC(=O)C(C)(C)C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422968022 279466353 /nfs/dbraw/zinc/46/63/53/279466353.db2.gz QJHIOGQMKIWGKY-STQMWFEESA-N 2 2 283.416 0.505 20 0 CCADLP O=C(CC1CC[NH2+]CC1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000431007382 279747599 /nfs/dbraw/zinc/74/75/99/279747599.db2.gz UPBPYBJAQLDHEM-UHFFFAOYSA-N 2 2 291.399 0.444 20 0 CCADLP CC[C@@H](C(=O)NCC[N@@H+]1CCO[C@@H](CC)C1)[NH+](C)C ZINC000427734493 280076602 /nfs/dbraw/zinc/07/66/02/280076602.db2.gz MVKKQFVBNPSLLE-STQMWFEESA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@@H](C(=O)NCC[N@H+]1CCO[C@@H](CC)C1)[NH+](C)C ZINC000427734493 280076603 /nfs/dbraw/zinc/07/66/03/280076603.db2.gz MVKKQFVBNPSLLE-STQMWFEESA-N 2 2 271.405 0.554 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@]1(C)CCCC[NH2+]1)[NH+]1CCOCC1 ZINC000236669088 280252281 /nfs/dbraw/zinc/25/22/81/280252281.db2.gz MBQKROCTBXEVNA-HOCLYGCPSA-N 2 2 297.443 0.992 20 0 CCADLP C[C@@H]1COCC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000354123978 288370230 /nfs/dbraw/zinc/37/02/30/288370230.db2.gz FHSLEYRTTRQYSS-RBSFLKMASA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]1COCC[C@H]1[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000354123978 288370235 /nfs/dbraw/zinc/37/02/35/288370235.db2.gz FHSLEYRTTRQYSS-RBSFLKMASA-N 2 2 297.443 0.944 20 0 CCADLP Cc1nc(N2CC[NH+](C3CC3)CC2)nc(N(C)C)[nH+]1 ZINC000488393669 281915414 /nfs/dbraw/zinc/91/54/14/281915414.db2.gz DMUZKXHWAHHWDK-UHFFFAOYSA-N 2 2 262.361 0.530 20 0 CCADLP CN(C)C(=O)C[NH+]1CCC([NH2+]Cc2ccncc2)CC1 ZINC000037232048 281923275 /nfs/dbraw/zinc/92/32/75/281923275.db2.gz NJNKBOVPKPYBJC-UHFFFAOYSA-N 2 2 276.384 0.724 20 0 CCADLP C[NH+](C)C1CC[NH+]([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000336415992 282052200 /nfs/dbraw/zinc/05/22/00/282052200.db2.gz CSOXBPMKNCRKCS-ZDUSSCGKSA-N 2 2 251.374 0.776 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000236694369 282072326 /nfs/dbraw/zinc/07/23/26/282072326.db2.gz XZYYPVMUURRRCO-QWHCGFSZSA-N 2 2 285.432 0.977 20 0 CCADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C[C@H](O)C[N@H+](C)C1CC1 ZINC000352027335 289048265 /nfs/dbraw/zinc/04/82/65/289048265.db2.gz KISBODBFVLNJLB-FVQBIDKESA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000352027335 289048266 /nfs/dbraw/zinc/04/82/66/289048266.db2.gz KISBODBFVLNJLB-FVQBIDKESA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000352027335 289048267 /nfs/dbraw/zinc/04/82/67/289048267.db2.gz KISBODBFVLNJLB-FVQBIDKESA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1[C@H](N2CCOCC2)CC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000352027335 289048268 /nfs/dbraw/zinc/04/82/68/289048268.db2.gz KISBODBFVLNJLB-FVQBIDKESA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1[C@H](N2CCOCC2)CC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000352027335 289048269 /nfs/dbraw/zinc/04/82/69/289048269.db2.gz KISBODBFVLNJLB-FVQBIDKESA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1[C@H](N2CCOCC2)CC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000352027335 289048270 /nfs/dbraw/zinc/04/82/70/289048270.db2.gz KISBODBFVLNJLB-FVQBIDKESA-N 2 2 297.443 0.237 20 0 CCADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000423871570 290106950 /nfs/dbraw/zinc/10/69/50/290106950.db2.gz PTEYUEINMWTWLM-ZNMIVQPWSA-N 2 2 295.427 0.683 20 0 CCADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000423871570 290106954 /nfs/dbraw/zinc/10/69/54/290106954.db2.gz PTEYUEINMWTWLM-ZNMIVQPWSA-N 2 2 295.427 0.683 20 0 CCADLP CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000333320216 295552347 /nfs/dbraw/zinc/55/23/47/295552347.db2.gz UIBYKPKUKJXPRN-UTUOFQBUSA-N 2 2 260.403 0.684 20 0 CCADLP C[C@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)CCN1C1CC[NH+](C)CC1 ZINC000343762150 300292126 /nfs/dbraw/zinc/29/21/26/300292126.db2.gz KMYMZRIKNBHWPA-DZGCQCFKSA-N 2 2 294.443 0.317 20 0 CCADLP C[C@H]1C[N@H+]([C@@H]2CCN(C)C2=O)CCN1C1CC[NH+](C)CC1 ZINC000343762150 300292128 /nfs/dbraw/zinc/29/21/28/300292128.db2.gz KMYMZRIKNBHWPA-DZGCQCFKSA-N 2 2 294.443 0.317 20 0 CCADLP [NH3+]CCC[N@@H+](CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000414718164 303376054 /nfs/dbraw/zinc/37/60/54/303376054.db2.gz YRYBQRUJJHSCFU-CYBMUJFWSA-N 2 2 269.389 0.439 20 0 CCADLP [NH3+]CCC[N@H+](CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000414718164 303376057 /nfs/dbraw/zinc/37/60/57/303376057.db2.gz YRYBQRUJJHSCFU-CYBMUJFWSA-N 2 2 269.389 0.439 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CC2(C)COC2)C[C@@H](C)O1 ZINC000574911887 327638636 /nfs/dbraw/zinc/63/86/36/327638636.db2.gz HWWQUYBOJBPADV-UPJWGTAASA-N 2 2 272.389 0.083 20 0 CCADLP [NH3+]C1CCC(OCC(=O)NCCn2cc[nH+]c2)CC1 ZINC000580309698 327779593 /nfs/dbraw/zinc/77/95/93/327779593.db2.gz DVYXGMLQRMGATO-UHFFFAOYSA-N 2 2 266.345 0.286 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000582794812 329211560 /nfs/dbraw/zinc/21/15/60/329211560.db2.gz RCMABJLMMDNDHY-STQMWFEESA-N 2 2 286.420 0.035 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000582794812 329211562 /nfs/dbraw/zinc/21/15/62/329211562.db2.gz RCMABJLMMDNDHY-STQMWFEESA-N 2 2 286.420 0.035 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000582794812 329211563 /nfs/dbraw/zinc/21/15/63/329211563.db2.gz RCMABJLMMDNDHY-STQMWFEESA-N 2 2 286.420 0.035 20 0 CCADLP CC[C@@H]1C[NH+](CCNC(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC000582801438 329217954 /nfs/dbraw/zinc/21/79/54/329217954.db2.gz UPNBMBNCHUWDRO-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP CC[C@@H]1C[NH+](CCNC(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC000582801438 329217955 /nfs/dbraw/zinc/21/79/55/329217955.db2.gz UPNBMBNCHUWDRO-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP O=C(Nc1ccc2[nH+]ccn2c1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000584160472 327053221 /nfs/dbraw/zinc/05/32/21/327053221.db2.gz NQCOPPBFRBHARV-IAZYJMLFSA-N 2 2 257.297 0.674 20 0 CCADLP CN(C(=O)C[NH+]1CC(C)(C)C1)C(C)(C)C[NH+]1CCOCC1 ZINC000584181736 327061245 /nfs/dbraw/zinc/06/12/45/327061245.db2.gz HIBAWYMRTIYTOL-UHFFFAOYSA-N 2 2 297.443 0.897 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCc1[nH+]ccn1C ZINC000565877967 327066567 /nfs/dbraw/zinc/06/65/67/327066567.db2.gz LHOHCSRJPKXIMY-LLVKDONJSA-N 2 2 265.361 0.656 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1[nH+]ccn1C ZINC000565877967 327066568 /nfs/dbraw/zinc/06/65/68/327066568.db2.gz LHOHCSRJPKXIMY-LLVKDONJSA-N 2 2 265.361 0.656 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)[C@H]([NH3+])c1cscn1)C1CC1 ZINC000582240255 328844600 /nfs/dbraw/zinc/84/46/00/328844600.db2.gz ZMLLXWMWBOYQME-GHMZBOCLSA-N 2 2 268.386 0.599 20 0 CCADLP [NH3+]C[C@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000583692435 329002808 /nfs/dbraw/zinc/00/28/08/329002808.db2.gz BSPZDAVSSNGHHC-HIFRSBDPSA-N 2 2 295.427 0.827 20 0 CCADLP [NH3+]C[C@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000583692435 329002810 /nfs/dbraw/zinc/00/28/10/329002810.db2.gz BSPZDAVSSNGHHC-HIFRSBDPSA-N 2 2 295.427 0.827 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000582485078 329096269 /nfs/dbraw/zinc/09/62/69/329096269.db2.gz BXKJKORNDFRLKB-RYUDHWBXSA-N 2 2 294.403 0.363 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc(O)cc1)C1CC1 ZINC000394076298 329098473 /nfs/dbraw/zinc/09/84/73/329098473.db2.gz KTKZOCRIVJOLHZ-AWEZNQCLSA-N 2 2 250.342 0.937 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc(O)cc1)C1CC1 ZINC000394076298 329098474 /nfs/dbraw/zinc/09/84/74/329098474.db2.gz KTKZOCRIVJOLHZ-AWEZNQCLSA-N 2 2 250.342 0.937 20 0 CCADLP C[C@H](COc1ccccc1)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000582784393 329189937 /nfs/dbraw/zinc/18/99/37/329189937.db2.gz INOVXGJTQPKATM-ZIAGYGMSSA-N 2 2 291.395 0.803 20 0 CCADLP C[C@H](COc1ccccc1)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000582784393 329189938 /nfs/dbraw/zinc/18/99/38/329189938.db2.gz INOVXGJTQPKATM-ZIAGYGMSSA-N 2 2 291.395 0.803 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000582794812 329211558 /nfs/dbraw/zinc/21/15/58/329211558.db2.gz RCMABJLMMDNDHY-STQMWFEESA-N 2 2 286.420 0.035 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CC[NH+](C)C2)CCO1 ZINC000582801438 329217953 /nfs/dbraw/zinc/21/79/53/329217953.db2.gz UPNBMBNCHUWDRO-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)[C@H]2CC[NH+](C)C2)CCO1 ZINC000582801438 329217952 /nfs/dbraw/zinc/21/79/52/329217952.db2.gz UPNBMBNCHUWDRO-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H](O)CNc1cc(NCC2CC[NH+](C)CC2)nc[nH+]1 ZINC000583130923 329317833 /nfs/dbraw/zinc/31/78/33/329317833.db2.gz XZVGKEBLHUBKOP-NSHDSACASA-N 2 2 279.388 0.445 20 0 CCADLP C[C@H](O)CNc1cc(NCC2CC[NH+](C)CC2)[nH+]cn1 ZINC000583130923 329317834 /nfs/dbraw/zinc/31/78/34/329317834.db2.gz XZVGKEBLHUBKOP-NSHDSACASA-N 2 2 279.388 0.445 20 0 CCADLP C[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1cccc(O)c1 ZINC000580420748 330128849 /nfs/dbraw/zinc/12/88/49/330128849.db2.gz MGDVVNFKIOJXOB-YPMHNXCESA-N 2 2 292.383 0.738 20 0 CCADLP C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1cccc(O)c1 ZINC000580420748 330128850 /nfs/dbraw/zinc/12/88/50/330128850.db2.gz MGDVVNFKIOJXOB-YPMHNXCESA-N 2 2 292.383 0.738 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000332999705 330878095 /nfs/dbraw/zinc/87/80/95/330878095.db2.gz GZGMUHTXYLLBNI-STQMWFEESA-N 2 2 292.383 0.282 20 0 CCADLP C(C[N@H+]1C[C@H]2CC[C@@H](C1)O2)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000576108275 335155518 /nfs/dbraw/zinc/15/55/18/335155518.db2.gz UXJGEUBJLJNUMA-XHSDSOJGSA-N 2 2 279.428 0.925 20 0 CCADLP C(C[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000576108275 335155519 /nfs/dbraw/zinc/15/55/19/335155519.db2.gz UXJGEUBJLJNUMA-XHSDSOJGSA-N 2 2 279.428 0.925 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)C[C@H]([NH3+])c2ccccc2)CCO1 ZINC000576111094 335156076 /nfs/dbraw/zinc/15/60/76/335156076.db2.gz KFCYJOJVALTHRE-ZFWWWQNUSA-N 2 2 291.395 0.913 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)C[C@H]([NH3+])c2ccccc2)CCO1 ZINC000576111094 335156078 /nfs/dbraw/zinc/15/60/78/335156078.db2.gz KFCYJOJVALTHRE-ZFWWWQNUSA-N 2 2 291.395 0.913 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)NC[C@@](C)(O)C[NH+](C)C)ccn12 ZINC000576238708 335176282 /nfs/dbraw/zinc/17/62/82/335176282.db2.gz GAHUVJRNCAXZMW-OAHLLOKOSA-N 2 2 290.367 0.685 20 0 CCADLP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000576231300 335174970 /nfs/dbraw/zinc/17/49/70/335174970.db2.gz BTUFZORUVMHEHZ-RYUDHWBXSA-N 2 2 258.325 0.664 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C[C@@H]1C ZINC000553463582 334386550 /nfs/dbraw/zinc/38/65/50/334386550.db2.gz YFZTXWIJTZFGIE-AWEZNQCLSA-N 2 2 297.443 0.897 20 0 CCADLP COCC[N@H+]1CCN(C(=O)C[NH+]2CCC(C)(C)C2)C[C@@H]1C ZINC000553463582 334386551 /nfs/dbraw/zinc/38/65/51/334386551.db2.gz YFZTXWIJTZFGIE-AWEZNQCLSA-N 2 2 297.443 0.897 20 0 CCADLP COCC[NH+]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000553463582 334386552 /nfs/dbraw/zinc/38/65/52/334386552.db2.gz YFZTXWIJTZFGIE-AWEZNQCLSA-N 2 2 297.443 0.897 20 0 CCADLP COCC[NH+]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000553463582 334386553 /nfs/dbraw/zinc/38/65/53/334386553.db2.gz YFZTXWIJTZFGIE-AWEZNQCLSA-N 2 2 297.443 0.897 20 0 CCADLP CCCCNC(=O)[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000576834641 335253656 /nfs/dbraw/zinc/25/36/56/335253656.db2.gz NDGBBLJLVZRTEI-HUUCEWRRSA-N 2 2 299.459 0.927 20 0 CCADLP CCCCNC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000576834641 335253659 /nfs/dbraw/zinc/25/36/59/335253659.db2.gz NDGBBLJLVZRTEI-HUUCEWRRSA-N 2 2 299.459 0.927 20 0 CCADLP CCCCNC(=O)[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)CC)C1 ZINC000576834641 335253660 /nfs/dbraw/zinc/25/36/60/335253660.db2.gz NDGBBLJLVZRTEI-HUUCEWRRSA-N 2 2 299.459 0.927 20 0 CCADLP CCCCNC(=O)[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)CC)C1 ZINC000576834641 335253662 /nfs/dbraw/zinc/25/36/62/335253662.db2.gz NDGBBLJLVZRTEI-HUUCEWRRSA-N 2 2 299.459 0.927 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000576889146 335261287 /nfs/dbraw/zinc/26/12/87/335261287.db2.gz TVKBIFAMVYCJBF-SNVBAGLBSA-N 2 2 253.350 0.925 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000576889146 335261288 /nfs/dbraw/zinc/26/12/88/335261288.db2.gz TVKBIFAMVYCJBF-SNVBAGLBSA-N 2 2 253.350 0.925 20 0 CCADLP [NH3+][C@H](C(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1cscn1 ZINC000576984055 335273279 /nfs/dbraw/zinc/27/32/79/335273279.db2.gz JNKAGHXKTYGMFN-JQWIXIFHSA-N 2 2 280.397 0.840 20 0 CCADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000577000098 335276248 /nfs/dbraw/zinc/27/62/48/335276248.db2.gz UFUDZMDHJSPUAM-ZDUSSCGKSA-N 2 2 264.373 0.977 20 0 CCADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000577000098 335276250 /nfs/dbraw/zinc/27/62/50/335276250.db2.gz UFUDZMDHJSPUAM-ZDUSSCGKSA-N 2 2 264.373 0.977 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC(=O)NCCc1ccccc1 ZINC000580550991 335278559 /nfs/dbraw/zinc/27/85/59/335278559.db2.gz NZGMPANETCECHM-DZGCQCFKSA-N 2 2 275.396 0.933 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCSC[C@H]1C[NH+](C)CCO1 ZINC000580563219 335286487 /nfs/dbraw/zinc/28/64/87/335286487.db2.gz IKPNSFDRMCLBBZ-CHWSQXEVSA-N 2 2 274.430 0.771 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCSC[C@H]1C[NH+](C)CCO1 ZINC000580563219 335286488 /nfs/dbraw/zinc/28/64/88/335286488.db2.gz IKPNSFDRMCLBBZ-CHWSQXEVSA-N 2 2 274.430 0.771 20 0 CCADLP C[C@@H]1COCC[NH+]1CCSC[C@H]1C[N@H+](C)CCO1 ZINC000580563219 335286490 /nfs/dbraw/zinc/28/64/90/335286490.db2.gz IKPNSFDRMCLBBZ-CHWSQXEVSA-N 2 2 274.430 0.771 20 0 CCADLP C[C@@H]1COCC[NH+]1CCSC[C@H]1C[N@@H+](C)CCO1 ZINC000580563219 335286492 /nfs/dbraw/zinc/28/64/92/335286492.db2.gz IKPNSFDRMCLBBZ-CHWSQXEVSA-N 2 2 274.430 0.771 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCC(=O)C1 ZINC000577110735 335301794 /nfs/dbraw/zinc/30/17/94/335301794.db2.gz OQYAPKSIRRFLMO-CYBMUJFWSA-N 2 2 295.427 0.840 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCC(=O)C1 ZINC000577110735 335301795 /nfs/dbraw/zinc/30/17/95/335301795.db2.gz OQYAPKSIRRFLMO-CYBMUJFWSA-N 2 2 295.427 0.840 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000577121603 335304004 /nfs/dbraw/zinc/30/40/04/335304004.db2.gz GOZDCEMOASZVIM-HZSPNIEDSA-N 2 2 272.389 0.179 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000577121603 335304006 /nfs/dbraw/zinc/30/40/06/335304006.db2.gz GOZDCEMOASZVIM-HZSPNIEDSA-N 2 2 272.389 0.179 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000577121603 335304007 /nfs/dbraw/zinc/30/40/07/335304007.db2.gz GOZDCEMOASZVIM-HZSPNIEDSA-N 2 2 272.389 0.179 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000577121603 335304009 /nfs/dbraw/zinc/30/40/09/335304009.db2.gz GOZDCEMOASZVIM-HZSPNIEDSA-N 2 2 272.389 0.179 20 0 CCADLP C[C@H](CCC1CC1)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000580632055 335306843 /nfs/dbraw/zinc/30/68/43/335306843.db2.gz KJUXLNVZABIZEH-YPMHNXCESA-N 2 2 268.405 0.849 20 0 CCADLP C[C@H](CCC1CC1)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000580632055 335306844 /nfs/dbraw/zinc/30/68/44/335306844.db2.gz KJUXLNVZABIZEH-YPMHNXCESA-N 2 2 268.405 0.849 20 0 CCADLP COCC[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000347371756 335376824 /nfs/dbraw/zinc/37/68/24/335376824.db2.gz PKQYNFYEPNCNQR-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP COCC[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000347371756 335376825 /nfs/dbraw/zinc/37/68/25/335376825.db2.gz PKQYNFYEPNCNQR-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP O=C(NCC1=CC[NH2+]CC1)C1CC[NH+](CC(F)F)CC1 ZINC000577720919 335392079 /nfs/dbraw/zinc/39/20/79/335392079.db2.gz DMOXWXVMSLMPRA-UHFFFAOYSA-N 2 2 287.354 0.999 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]([NH3+])c2cscn2)C[C@@H](C)[NH2+]1 ZINC000577840950 335409446 /nfs/dbraw/zinc/40/94/46/335409446.db2.gz RCFQTDNNRJZYJE-NQMVMOMDSA-N 2 2 254.359 0.352 20 0 CCADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000578068257 335477359 /nfs/dbraw/zinc/47/73/59/335477359.db2.gz VSJQZSYQAWHUKS-UTLUCORTSA-N 2 2 259.300 0.052 20 0 CCADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000578068255 335477376 /nfs/dbraw/zinc/47/73/76/335477376.db2.gz VSJQZSYQAWHUKS-BBBLOLIVSA-N 2 2 259.300 0.052 20 0 CCADLP O=C(NCc1[nH]cc[nH+]1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000578622942 335654838 /nfs/dbraw/zinc/65/48/38/335654838.db2.gz FFZRUHXKRRZZKQ-OAHLLOKOSA-N 2 2 270.336 0.957 20 0 CCADLP O=C(c1ccc2[nH+]ccn2c1)N1CC[C@H]2OCC[NH2+][C@@H]2C1 ZINC000579112308 335710604 /nfs/dbraw/zinc/71/06/04/335710604.db2.gz BZNWWLDEHAZPHF-CHWSQXEVSA-N 2 2 286.335 0.537 20 0 CCADLP C[C@@H](CC(=O)N1CC[NH2+]C[C@H]1C(F)F)n1cc[nH+]c1 ZINC000579488145 335772175 /nfs/dbraw/zinc/77/21/75/335772175.db2.gz HOOMGRJIMDFTIN-UWVGGRQHSA-N 2 2 272.299 0.900 20 0 CCADLP COC[C@]1(CNC(=O)Nc2cc[nH+]cc2C)CCC[NH2+]1 ZINC000581059947 336002149 /nfs/dbraw/zinc/00/21/49/336002149.db2.gz QQYVPUDLEDJJID-CQSZACIVSA-N 2 2 278.356 0.702 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000581139242 336014442 /nfs/dbraw/zinc/01/44/42/336014442.db2.gz AAJTYWNARYURGZ-LBPRGKRZSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000581139242 336014443 /nfs/dbraw/zinc/01/44/43/336014443.db2.gz AAJTYWNARYURGZ-LBPRGKRZSA-N 2 2 294.399 0.503 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000581187881 336021199 /nfs/dbraw/zinc/02/11/99/336021199.db2.gz GVCQKWBGGLWGFI-ZDUSSCGKSA-N 2 2 281.400 0.167 20 0 CCADLP CC(C)OC[C@H](O)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000581365987 336061874 /nfs/dbraw/zinc/06/18/74/336061874.db2.gz ZERFKZUZDKDOAX-VXGBXAGGSA-N 2 2 253.346 0.573 20 0 CCADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000581597543 336109339 /nfs/dbraw/zinc/10/93/39/336109339.db2.gz ZOXQVJWSMJFLQC-NHAGDIPZSA-N 2 2 297.362 0.889 20 0 CCADLP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1CC[NH2+]1 ZINC000384763115 336130684 /nfs/dbraw/zinc/13/06/84/336130684.db2.gz XEDDCLUOUCKIRW-LSDHHAIUSA-N 2 2 289.379 0.366 20 0 CCADLP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1CC[NH2+]1 ZINC000384763115 336130685 /nfs/dbraw/zinc/13/06/85/336130685.db2.gz XEDDCLUOUCKIRW-LSDHHAIUSA-N 2 2 289.379 0.366 20 0 CCADLP C[N@H+](CC(=O)NCCOc1ccccc1)C1CC([NH3+])C1 ZINC000384765759 336130790 /nfs/dbraw/zinc/13/07/90/336130790.db2.gz QXHMWSRPNNZZLU-UHFFFAOYSA-N 2 2 277.368 0.603 20 0 CCADLP C[N@@H+](CC(=O)NCCOc1ccccc1)C1CC([NH3+])C1 ZINC000384765759 336130792 /nfs/dbraw/zinc/13/07/92/336130792.db2.gz QXHMWSRPNNZZLU-UHFFFAOYSA-N 2 2 277.368 0.603 20 0 CCADLP COCC[NH+]1CCC([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000581755948 336142448 /nfs/dbraw/zinc/14/24/48/336142448.db2.gz MOWOIILXAMYNHM-CYBMUJFWSA-N 3 2 278.400 0.967 20 0 CCADLP CC[C@@H](C(=O)OC)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000581832115 336149558 /nfs/dbraw/zinc/14/95/58/336149558.db2.gz UVJGWOJLTUTEDL-JTQLQIEISA-N 2 2 252.318 0.483 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@H]2CC3CCC2CC3)[C@H](C[NH3+])C1 ZINC000581874299 336156020 /nfs/dbraw/zinc/15/60/20/336156020.db2.gz DSDIRXTYGHQRKY-PQAZSJQKSA-N 2 2 280.416 0.849 20 0 CCADLP COC[C@H](C)C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000581943690 336174122 /nfs/dbraw/zinc/17/41/22/336174122.db2.gz SELVUPWAEBMGKL-GFCCVEGCSA-N 2 2 293.415 0.843 20 0 CCADLP C[C@@H]([NH2+]CCCN1CCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000386521016 336176210 /nfs/dbraw/zinc/17/62/10/336176210.db2.gz YUAPVIVSDVLBLX-KGLIPLIRSA-N 2 2 255.406 0.829 20 0 CCADLP C[C@@H](NCCC[NH+]1CCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000386521016 336176212 /nfs/dbraw/zinc/17/62/12/336176212.db2.gz YUAPVIVSDVLBLX-KGLIPLIRSA-N 2 2 255.406 0.829 20 0 CCADLP C[C@H](CNC(=O)[C@@H]([NH3+])c1cscn1)[N@H+](C)C1CC1 ZINC000582000378 336188257 /nfs/dbraw/zinc/18/82/57/336188257.db2.gz KFLCGWZQJLBDSD-KCJUWKMLSA-N 2 2 268.386 0.742 20 0 CCADLP C[C@H](CNC(=O)[C@@H]([NH3+])c1cscn1)[N@@H+](C)C1CC1 ZINC000582000378 336188258 /nfs/dbraw/zinc/18/82/58/336188258.db2.gz KFLCGWZQJLBDSD-KCJUWKMLSA-N 2 2 268.386 0.742 20 0 CCADLP CCOC(=O)CCCCC[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000145717165 520629090 /nfs/dbraw/zinc/62/90/90/520629090.db2.gz ZRPQQNVRIOUQQJ-GFCCVEGCSA-N 2 2 258.362 0.769 20 0 CCADLP CCOC(=O)CCCCC[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000145717165 520629104 /nfs/dbraw/zinc/62/91/04/520629104.db2.gz ZRPQQNVRIOUQQJ-GFCCVEGCSA-N 2 2 258.362 0.769 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C1CC[NH+](CC)CC1 ZINC000157166237 521741750 /nfs/dbraw/zinc/74/17/50/521741750.db2.gz FGFJGWQJAIAONX-NSHDSACASA-N 2 2 284.404 0.637 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000157166237 521741751 /nfs/dbraw/zinc/74/17/51/521741751.db2.gz FGFJGWQJAIAONX-NSHDSACASA-N 2 2 284.404 0.637 20 0 CCADLP C[C@@H](C[NH3+])NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000416940461 533800011 /nfs/dbraw/zinc/80/00/11/533800011.db2.gz GCNBAZZAPBHMGH-JTQLQIEISA-N 2 2 261.329 0.523 20 0 CCADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc(C(N)=O)co1 ZINC000427856730 533900767 /nfs/dbraw/zinc/90/07/67/533900767.db2.gz XFBZIMVWSAXPIR-JOYOIKCWSA-N 2 2 251.330 0.808 20 0 CCADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc(C(N)=O)co1 ZINC000427856730 533900773 /nfs/dbraw/zinc/90/07/73/533900773.db2.gz XFBZIMVWSAXPIR-JOYOIKCWSA-N 2 2 251.330 0.808 20 0 CCADLP C[C@@H](CNC(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+](C)C ZINC000455445616 533925369 /nfs/dbraw/zinc/92/53/69/533925369.db2.gz UIVYOGGWXLGYJL-ZDUSSCGKSA-N 2 2 291.399 0.863 20 0 CCADLP C[C@@H](CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)[NH+](C)C ZINC000454708831 533990624 /nfs/dbraw/zinc/99/06/24/533990624.db2.gz GTPPIMHQAZXUGR-STQMWFEESA-N 2 2 291.399 0.910 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000358502100 534017138 /nfs/dbraw/zinc/01/71/38/534017138.db2.gz OKWPHEOCIRGRGR-OLZOCXBDSA-N 2 2 286.420 0.299 20 0 CCADLP OCCC[N@@H+]1CCC[C@@H]1CNc1[nH+]cnc2[nH]ccc21 ZINC000450598097 534359643 /nfs/dbraw/zinc/35/96/43/534359643.db2.gz PRBLJOBVUQOPLG-LLVKDONJSA-N 2 2 275.356 0.639 20 0 CCADLP OCCC[N@H+]1CCC[C@@H]1CNc1[nH+]cnc2[nH]ccc21 ZINC000450598097 534359648 /nfs/dbraw/zinc/35/96/48/534359648.db2.gz PRBLJOBVUQOPLG-LLVKDONJSA-N 2 2 275.356 0.639 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCNC(=O)C1CCC1 ZINC000358408120 534444312 /nfs/dbraw/zinc/44/43/12/534444312.db2.gz VBDLQZQLTOSIRU-DGCLKSJQSA-N 2 2 253.390 0.833 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCNC(=O)C1CCC1 ZINC000358408120 534444318 /nfs/dbraw/zinc/44/43/18/534444318.db2.gz VBDLQZQLTOSIRU-DGCLKSJQSA-N 2 2 253.390 0.833 20 0 CCADLP C[NH2+]CCCC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000366326507 521990039 /nfs/dbraw/zinc/99/00/39/521990039.db2.gz QRYGBTQGSNAPDD-UHFFFAOYSA-N 2 2 273.340 0.883 20 0 CCADLP [NH3+]CCCNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000418357026 534615064 /nfs/dbraw/zinc/61/50/64/534615064.db2.gz QHJZKBNLJOXESL-LBPRGKRZSA-N 2 2 264.329 0.593 20 0 CCADLP [NH3+]CC[C@@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)C(F)F ZINC000423712457 534645185 /nfs/dbraw/zinc/64/51/85/534645185.db2.gz VKVOYYMLWYODNC-SNVBAGLBSA-N 2 2 295.293 0.980 20 0 CCADLP Cc1[nH+]c2ccccc2n1CC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000423995244 534674092 /nfs/dbraw/zinc/67/40/92/534674092.db2.gz UUKDDPSZYVICLO-GFCCVEGCSA-N 2 2 288.351 0.449 20 0 CCADLP CN1C[C@@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1=O ZINC000363779383 524012965 /nfs/dbraw/zinc/01/29/65/524012965.db2.gz DIJDBCDWKOURMM-HNNXBMFYSA-N 2 2 288.395 0.866 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC000357636442 524043488 /nfs/dbraw/zinc/04/34/88/524043488.db2.gz MLPYRIGWHGWRSZ-GFCCVEGCSA-N 2 2 271.405 0.099 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000450602411 534791551 /nfs/dbraw/zinc/79/15/51/534791551.db2.gz QYVRKFFKBBVAKV-CYBMUJFWSA-N 2 2 264.373 0.969 20 0 CCADLP C[N@H+]1CC=C(CNc2nc[nH+]c3c2OCCN3)CC1 ZINC000665710413 545104483 /nfs/dbraw/zinc/10/44/83/545104483.db2.gz FFJCYRZHGUYWRX-UHFFFAOYSA-N 2 2 261.329 0.955 20 0 CCADLP C[N@@H+]1CC=C(CNc2nc[nH+]c3c2OCCN3)CC1 ZINC000665710413 545104484 /nfs/dbraw/zinc/10/44/84/545104484.db2.gz FFJCYRZHGUYWRX-UHFFFAOYSA-N 2 2 261.329 0.955 20 0 CCADLP C[N@H+]1CC=C(CNc2[nH+]cnc3c2OCCN3)CC1 ZINC000665710413 545104485 /nfs/dbraw/zinc/10/44/85/545104485.db2.gz FFJCYRZHGUYWRX-UHFFFAOYSA-N 2 2 261.329 0.955 20 0 CCADLP C[N@@H+]1CC=C(CNc2[nH+]cnc3c2OCCN3)CC1 ZINC000665710413 545104486 /nfs/dbraw/zinc/10/44/86/545104486.db2.gz FFJCYRZHGUYWRX-UHFFFAOYSA-N 2 2 261.329 0.955 20 0 CCADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)NC[C@@H]1CCCO1 ZINC000157359202 526804938 /nfs/dbraw/zinc/80/49/38/526804938.db2.gz OGFCXQFZIYHMOM-CABCVRRESA-N 2 2 295.427 0.699 20 0 CCADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)NC[C@@H]1CCCO1 ZINC000157359202 526804943 /nfs/dbraw/zinc/80/49/43/526804943.db2.gz OGFCXQFZIYHMOM-CABCVRRESA-N 2 2 295.427 0.699 20 0 CCADLP CC(C)([NH3+])CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000418419201 527246910 /nfs/dbraw/zinc/24/69/10/527246910.db2.gz ZJBAZKWMIRICAW-LBPRGKRZSA-N 2 2 284.404 0.230 20 0 CCADLP Cc1[nH+]cc(C[NH+]2CCN(c3cccnn3)CC2)n1C ZINC000667573634 545150050 /nfs/dbraw/zinc/15/00/50/545150050.db2.gz LCWZZUQJJPHOTF-UHFFFAOYSA-N 2 2 272.356 0.841 20 0 CCADLP CCN1C(=O)[C@@H]2C[N@H+](Cc3c[nH+]c(C)n3C)CCN2C1=O ZINC000667695370 545153957 /nfs/dbraw/zinc/15/39/57/545153957.db2.gz QUYSCQNLLPCGAO-LBPRGKRZSA-N 2 2 291.355 0.197 20 0 CCADLP CCN1C(=O)[C@@H]2C[N@@H+](Cc3c[nH+]c(C)n3C)CCN2C1=O ZINC000667695370 545153958 /nfs/dbraw/zinc/15/39/58/545153958.db2.gz QUYSCQNLLPCGAO-LBPRGKRZSA-N 2 2 291.355 0.197 20 0 CCADLP O=C1C[C@]2(CC[N@H+](Cc3c[nH+]c4n3CCC4)C2)CN1 ZINC000668084268 545162780 /nfs/dbraw/zinc/16/27/80/545162780.db2.gz FSQMHWQRCNYZMT-CQSZACIVSA-N 2 2 260.341 0.541 20 0 CCADLP O=C1C[C@]2(CC[N@@H+](Cc3c[nH+]c4n3CCC4)C2)CN1 ZINC000668084268 545162781 /nfs/dbraw/zinc/16/27/81/545162781.db2.gz FSQMHWQRCNYZMT-CQSZACIVSA-N 2 2 260.341 0.541 20 0 CCADLP OC[C@@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CC[C@@H]1O ZINC000668240603 545169076 /nfs/dbraw/zinc/16/90/76/545169076.db2.gz MUMUQPHVLKFFFJ-WFASDCNBSA-N 2 2 288.351 0.442 20 0 CCADLP OC[C@@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC[C@@H]1O ZINC000668240603 545169077 /nfs/dbraw/zinc/16/90/77/545169077.db2.gz MUMUQPHVLKFFFJ-WFASDCNBSA-N 2 2 288.351 0.442 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)n1C ZINC000668453924 545178140 /nfs/dbraw/zinc/17/81/40/545178140.db2.gz ROJHOVYRHSTBMP-LBPRGKRZSA-N 2 2 289.387 0.600 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2CC[C@H](Cn3ccnn3)C2)n1C ZINC000668453924 545178141 /nfs/dbraw/zinc/17/81/41/545178141.db2.gz ROJHOVYRHSTBMP-LBPRGKRZSA-N 2 2 289.387 0.600 20 0 CCADLP CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000668505631 545179439 /nfs/dbraw/zinc/17/94/39/545179439.db2.gz BNHAVBJNKLUVAL-KGLIPLIRSA-N 2 2 298.408 0.724 20 0 CCADLP CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@H]1C[NH+]2CCC1CC2 ZINC000668588656 545183099 /nfs/dbraw/zinc/18/30/99/545183099.db2.gz NJHKKZPEPZAKPC-HIFRSBDPSA-N 2 2 288.395 0.998 20 0 CCADLP C[C@H]1C[N@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@@]1(C)CO ZINC000668737122 545189510 /nfs/dbraw/zinc/18/95/10/545189510.db2.gz LSBUUGNRIKNULW-FZMZJTMJSA-N 2 2 266.389 0.936 20 0 CCADLP C[C@H]1C[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@@]1(C)CO ZINC000668737122 545189511 /nfs/dbraw/zinc/18/95/11/545189511.db2.gz LSBUUGNRIKNULW-FZMZJTMJSA-N 2 2 266.389 0.936 20 0 CCADLP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000668640487 545184742 /nfs/dbraw/zinc/18/47/42/545184742.db2.gz SHBIPMKDQQVNQZ-CYBMUJFWSA-N 3 2 294.443 0.365 20 0 CCADLP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000668640487 545184743 /nfs/dbraw/zinc/18/47/43/545184743.db2.gz SHBIPMKDQQVNQZ-CYBMUJFWSA-N 3 2 294.443 0.365 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000449659101 527728457 /nfs/dbraw/zinc/72/84/57/527728457.db2.gz VAMGIOYCKGBXJV-GHMZBOCLSA-N 2 2 291.342 0.068 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000449659101 527728459 /nfs/dbraw/zinc/72/84/59/527728459.db2.gz VAMGIOYCKGBXJV-GHMZBOCLSA-N 2 2 291.342 0.068 20 0 CCADLP CNC(=O)C[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000668788478 545190477 /nfs/dbraw/zinc/19/04/77/545190477.db2.gz IEQJZKMJYRVFQU-UHFFFAOYSA-N 2 2 259.313 0.445 20 0 CCADLP CNC(=O)C[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000668788478 545190478 /nfs/dbraw/zinc/19/04/78/545190478.db2.gz IEQJZKMJYRVFQU-UHFFFAOYSA-N 2 2 259.313 0.445 20 0 CCADLP C[C@@H]([NH3+])CNC(=O)NCCCNc1cccc[nH+]1 ZINC000669388051 545206395 /nfs/dbraw/zinc/20/63/95/545206395.db2.gz LJFJNLLBOKIPIM-SNVBAGLBSA-N 2 2 251.334 0.530 20 0 CCADLP CCNC(=O)N1CC[C@H]([NH2+][C@H]2C[N@H+](CC)C[C@H]2C)C1 ZINC000358283155 528157708 /nfs/dbraw/zinc/15/77/08/528157708.db2.gz CVKGHCFIHFMGCF-AGIUHOORSA-N 2 2 268.405 0.720 20 0 CCADLP CCNC(=O)N1CC[C@H]([NH2+][C@H]2C[N@@H+](CC)C[C@H]2C)C1 ZINC000358283155 528157712 /nfs/dbraw/zinc/15/77/12/528157712.db2.gz CVKGHCFIHFMGCF-AGIUHOORSA-N 2 2 268.405 0.720 20 0 CCADLP C[C@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C(F)(F)F ZINC000669563920 545214795 /nfs/dbraw/zinc/21/47/95/545214795.db2.gz CCLVYHHOKWTMMO-BDAKNGLRSA-N 2 2 282.310 0.469 20 0 CCADLP C[C@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C(F)(F)F ZINC000669563920 545214796 /nfs/dbraw/zinc/21/47/96/545214796.db2.gz CCLVYHHOKWTMMO-BDAKNGLRSA-N 2 2 282.310 0.469 20 0 CCADLP CC[NH2+]CCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000418322455 528310000 /nfs/dbraw/zinc/31/00/00/528310000.db2.gz FEPHISUKJWKVPI-CYBMUJFWSA-N 2 2 278.356 0.854 20 0 CCADLP CCCC[N@H+](C)CCNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000413130035 528349329 /nfs/dbraw/zinc/34/93/29/528349329.db2.gz CHGZPHMZYZIMPB-LBPRGKRZSA-N 2 2 281.404 0.835 20 0 CCADLP CCCC[N@@H+](C)CCNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000413130035 528349338 /nfs/dbraw/zinc/34/93/38/528349338.db2.gz CHGZPHMZYZIMPB-LBPRGKRZSA-N 2 2 281.404 0.835 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000423539702 528478973 /nfs/dbraw/zinc/47/89/73/528478973.db2.gz BYAMEWACHZBWCL-MGPQQGTHSA-N 2 2 283.416 0.602 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000423539702 528478977 /nfs/dbraw/zinc/47/89/77/528478977.db2.gz BYAMEWACHZBWCL-MGPQQGTHSA-N 2 2 283.416 0.602 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000423627826 528479079 /nfs/dbraw/zinc/47/90/79/528479079.db2.gz VDZHFPDQOZOSFL-MELADBBJSA-N 2 2 283.416 0.744 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000423627826 528479085 /nfs/dbraw/zinc/47/90/85/528479085.db2.gz VDZHFPDQOZOSFL-MELADBBJSA-N 2 2 283.416 0.744 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@H](C)[NH2+]C ZINC000423622975 528482759 /nfs/dbraw/zinc/48/27/59/528482759.db2.gz BDIGIVLKBAUXRD-RYUDHWBXSA-N 2 2 257.378 0.211 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@H](C)[NH2+]C ZINC000423622975 528482764 /nfs/dbraw/zinc/48/27/64/528482764.db2.gz BDIGIVLKBAUXRD-RYUDHWBXSA-N 2 2 257.378 0.211 20 0 CCADLP CCO/C=C\C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000493761088 528524132 /nfs/dbraw/zinc/52/41/32/528524132.db2.gz WCDZPKFEBLGMNB-GHXNOFRVSA-N 2 2 269.389 0.679 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000449123011 528536273 /nfs/dbraw/zinc/53/62/73/528536273.db2.gz NCOGKNDQTGOZAG-LBPRGKRZSA-N 2 2 279.388 0.442 20 0 CCADLP CCOCC[N@@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000492865616 528729995 /nfs/dbraw/zinc/72/99/95/528729995.db2.gz PAIJTJRNIQHSEW-ZFDPJTLLSA-N 2 2 292.383 0.992 20 0 CCADLP CCOCC[N@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000492865616 528729999 /nfs/dbraw/zinc/72/99/99/528729999.db2.gz PAIJTJRNIQHSEW-ZFDPJTLLSA-N 2 2 292.383 0.992 20 0 CCADLP CCOCC[N@@H+]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C[C@@H]1C ZINC000493624719 528730046 /nfs/dbraw/zinc/73/00/46/528730046.db2.gz HUGUKLTWELBQKF-IHVVCDCBSA-N 2 2 292.383 0.992 20 0 CCADLP CCOCC[N@H+]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C[C@@H]1C ZINC000493624719 528730050 /nfs/dbraw/zinc/73/00/50/528730050.db2.gz HUGUKLTWELBQKF-IHVVCDCBSA-N 2 2 292.383 0.992 20 0 CCADLP CC[C@H](C(=O)N[C@H]1CCc2c[nH+]cn2C1)[NH+](C)C ZINC000672147238 545262985 /nfs/dbraw/zinc/26/29/85/545262985.db2.gz IXHFUTSZXLBBBI-CMPLNLGQSA-N 2 2 250.346 0.654 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000423864868 528990950 /nfs/dbraw/zinc/99/09/50/528990950.db2.gz JQFONCYTGDIHCV-GJZGRUSLSA-N 2 2 297.443 0.787 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000423864868 528990955 /nfs/dbraw/zinc/99/09/55/528990955.db2.gz JQFONCYTGDIHCV-GJZGRUSLSA-N 2 2 297.443 0.787 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672876936 545274761 /nfs/dbraw/zinc/27/47/61/545274761.db2.gz WKMTYZWFALZADD-GFCCVEGCSA-N 2 2 262.357 0.943 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672876936 545274762 /nfs/dbraw/zinc/27/47/62/545274762.db2.gz WKMTYZWFALZADD-GFCCVEGCSA-N 2 2 262.357 0.943 20 0 CCADLP C[C@H](NC(=O)CCc1[nH]cc[nH+]1)[C@H]1C[N@H+](C)CCO1 ZINC000673017420 545277970 /nfs/dbraw/zinc/27/79/70/545277970.db2.gz YDMJGJUTUMOQJN-WDEREUQCSA-N 2 2 266.345 0.178 20 0 CCADLP C[C@H](NC(=O)CCc1[nH]cc[nH+]1)[C@H]1C[N@@H+](C)CCO1 ZINC000673017420 545277971 /nfs/dbraw/zinc/27/79/71/545277971.db2.gz YDMJGJUTUMOQJN-WDEREUQCSA-N 2 2 266.345 0.178 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccn(C)c(=O)c2)CC1 ZINC000673711295 545291868 /nfs/dbraw/zinc/29/18/68/545291868.db2.gz QZUGORLKGUTJGP-UHFFFAOYSA-N 2 2 287.367 0.441 20 0 CCADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000456357309 529289090 /nfs/dbraw/zinc/28/90/90/529289090.db2.gz SCCPVBGTVVCQEK-GJZGRUSLSA-N 2 2 296.459 0.565 20 0 CCADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000456357309 529289091 /nfs/dbraw/zinc/28/90/91/529289091.db2.gz SCCPVBGTVVCQEK-GJZGRUSLSA-N 2 2 296.459 0.565 20 0 CCADLP CCC[NH+]1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000264050077 534919348 /nfs/dbraw/zinc/91/93/48/534919348.db2.gz AXAFWSAAWCQZBR-UHFFFAOYSA-N 2 2 250.346 0.827 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675219098 545323565 /nfs/dbraw/zinc/32/35/65/545323565.db2.gz YIBUAEZEXSRXPR-AWEZNQCLSA-N 2 2 292.383 0.596 20 0 CCADLP CCN(C)C(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000675499909 545327102 /nfs/dbraw/zinc/32/71/02/545327102.db2.gz SXPQHFKFGWKPOC-UHFFFAOYSA-N 2 2 262.357 0.682 20 0 CCADLP Cc1noc(CCC[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000675647532 545330103 /nfs/dbraw/zinc/33/01/03/545330103.db2.gz ROSBDEHNBDMZOO-AWEZNQCLSA-N 2 2 294.399 0.965 20 0 CCADLP Cc1noc(CCC[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000675647532 545330104 /nfs/dbraw/zinc/33/01/04/545330104.db2.gz ROSBDEHNBDMZOO-AWEZNQCLSA-N 2 2 294.399 0.965 20 0 CCADLP CCNC(=O)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000675730062 545330884 /nfs/dbraw/zinc/33/08/84/545330884.db2.gz LWGLBBIQZZLHCF-UHFFFAOYSA-N 2 2 276.384 0.772 20 0 CCADLP CC(C)(C)[C@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000676373239 545342507 /nfs/dbraw/zinc/34/25/07/545342507.db2.gz KNPCIXSYHKFZCO-ZIAGYGMSSA-N 2 2 297.443 0.808 20 0 CCADLP CC(C)(C)[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000676373239 545342508 /nfs/dbraw/zinc/34/25/08/545342508.db2.gz KNPCIXSYHKFZCO-ZIAGYGMSSA-N 2 2 297.443 0.808 20 0 CCADLP C[C@H](C(=O)N(C)C)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000676701466 545349402 /nfs/dbraw/zinc/34/94/02/545349402.db2.gz DYCKSJUVEGYYON-KGLIPLIRSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@H](C(=O)N(C)C)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000676701466 545349403 /nfs/dbraw/zinc/34/94/03/545349403.db2.gz DYCKSJUVEGYYON-KGLIPLIRSA-N 2 2 282.432 0.175 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000676842700 545353348 /nfs/dbraw/zinc/35/33/48/545353348.db2.gz FIEAEDLLCMDVLX-VXGBXAGGSA-N 2 2 274.368 0.798 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000676842700 545353349 /nfs/dbraw/zinc/35/33/49/545353349.db2.gz FIEAEDLLCMDVLX-VXGBXAGGSA-N 2 2 274.368 0.798 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)[C@@H]1C[N@H+](C)CCO1 ZINC000676844396 545353858 /nfs/dbraw/zinc/35/38/58/545353858.db2.gz IYLMKTIUJZORQF-OBJOEFQTSA-N 2 2 292.383 0.281 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676844396 545353859 /nfs/dbraw/zinc/35/38/59/545353859.db2.gz IYLMKTIUJZORQF-OBJOEFQTSA-N 2 2 292.383 0.281 20 0 CCADLP C[C@@H]1CC[N@H+](CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000676844058 545353915 /nfs/dbraw/zinc/35/39/15/545353915.db2.gz KYVQRFZXBKLACL-OLZOCXBDSA-N 2 2 276.384 0.904 20 0 CCADLP C[C@@H]1CC[N@@H+](CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000676844058 545353916 /nfs/dbraw/zinc/35/39/16/545353916.db2.gz KYVQRFZXBKLACL-OLZOCXBDSA-N 2 2 276.384 0.904 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]C2CCN(C(=O)COC)CC2)[C@@H](C)C1 ZINC000358029843 535783434 /nfs/dbraw/zinc/78/34/34/535783434.db2.gz WSDWORISOHRLOZ-JSGCOSHPSA-N 2 2 283.416 0.554 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]C2CCN(C(=O)COC)CC2)[C@@H](C)C1 ZINC000358029843 535783435 /nfs/dbraw/zinc/78/34/35/535783435.db2.gz WSDWORISOHRLOZ-JSGCOSHPSA-N 2 2 283.416 0.554 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]CCCN2CCCC2=O)[C@@H](C)C1 ZINC000343096064 535783937 /nfs/dbraw/zinc/78/39/37/535783937.db2.gz KPBDGUTVXGBIBI-STQMWFEESA-N 2 2 253.390 0.929 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]CCCN2CCCC2=O)[C@@H](C)C1 ZINC000343096064 535783940 /nfs/dbraw/zinc/78/39/40/535783940.db2.gz KPBDGUTVXGBIBI-STQMWFEESA-N 2 2 253.390 0.929 20 0 CCADLP C[NH+](C)CCCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000345638093 535835568 /nfs/dbraw/zinc/83/55/68/535835568.db2.gz LFPVVUICWQHDHG-UHFFFAOYSA-N 2 2 257.378 0.165 20 0 CCADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@H](C(N)=O)C2)s1 ZINC000347649255 536055160 /nfs/dbraw/zinc/05/51/60/536055160.db2.gz IGPSUQMBGCYREG-VIFPVBQESA-N 2 2 268.386 0.512 20 0 CCADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@H](C(N)=O)C2)s1 ZINC000347649255 536055163 /nfs/dbraw/zinc/05/51/63/536055163.db2.gz IGPSUQMBGCYREG-VIFPVBQESA-N 2 2 268.386 0.512 20 0 CCADLP C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678221335 545386722 /nfs/dbraw/zinc/38/67/22/545386722.db2.gz WMUCIQKDTHLKMX-CYBMUJFWSA-N 2 2 291.395 0.947 20 0 CCADLP C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678221335 545386723 /nfs/dbraw/zinc/38/67/23/545386723.db2.gz WMUCIQKDTHLKMX-CYBMUJFWSA-N 2 2 291.395 0.947 20 0 CCADLP CS(=O)(=O)Nc1cccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000678343631 545389491 /nfs/dbraw/zinc/38/94/91/545389491.db2.gz VNKDZRHUEKRGNE-STQMWFEESA-N 2 2 295.408 0.709 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000261749148 536339798 /nfs/dbraw/zinc/33/97/98/536339798.db2.gz PYUDIBHDNOSMMF-HNNXBMFYSA-N 3 2 294.443 0.413 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC2([NH3+])CCCCCC2)[C@@H](C[NH3+])C1 ZINC000516959931 536405526 /nfs/dbraw/zinc/40/55/26/536405526.db2.gz DICDKDKZKFHBCC-ZDUSSCGKSA-N 3 2 297.447 0.322 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC2([NH3+])CCCCCC2)[C@@H](C[NH3+])C1 ZINC000516959931 536405528 /nfs/dbraw/zinc/40/55/28/536405528.db2.gz DICDKDKZKFHBCC-ZDUSSCGKSA-N 3 2 297.447 0.322 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000514598188 536409676 /nfs/dbraw/zinc/40/96/76/536409676.db2.gz GXPCGAVLVPZIMO-IRXDYDNUSA-N 2 2 291.439 0.816 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000514598188 536409681 /nfs/dbraw/zinc/40/96/81/536409681.db2.gz GXPCGAVLVPZIMO-IRXDYDNUSA-N 2 2 291.439 0.816 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)C(=O)N1c1cnn(C)c1 ZINC000679068145 545401737 /nfs/dbraw/zinc/40/17/37/545401737.db2.gz XWJFUYAAXOUUMG-SMDDNHRTSA-N 2 2 291.399 0.598 20 0 CCADLP C[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C[C@H]1F ZINC000679184432 545403376 /nfs/dbraw/zinc/40/33/76/545403376.db2.gz WZRTWRRHSQUPDI-UPJWGTAASA-N 2 2 299.390 0.746 20 0 CCADLP C[C@@H]1CC[N@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C[C@H]1F ZINC000679184432 545403377 /nfs/dbraw/zinc/40/33/77/545403377.db2.gz WZRTWRRHSQUPDI-UPJWGTAASA-N 2 2 299.390 0.746 20 0 CCADLP CC[N@@H+]1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)C[C@H]1C ZINC000679890095 545417851 /nfs/dbraw/zinc/41/78/51/545417851.db2.gz LHMXEBLBVAUFQX-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP CC[N@H+]1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)C[C@H]1C ZINC000679890095 545417852 /nfs/dbraw/zinc/41/78/52/545417852.db2.gz LHMXEBLBVAUFQX-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP NS(=O)(=O)c1ccc(C[NH2+]CCn2cc[nH+]c2)s1 ZINC000679899078 545418244 /nfs/dbraw/zinc/41/82/44/545418244.db2.gz FWGCJLTUJHJPBD-UHFFFAOYSA-N 2 2 286.382 0.382 20 0 CCADLP COc1cc[nH+]c(CN2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000680071177 545422553 /nfs/dbraw/zinc/42/25/53/545422553.db2.gz XTCJAEDIZUDZKM-CQSZACIVSA-N 2 2 277.368 0.997 20 0 CCADLP COCCn1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000427112979 536842637 /nfs/dbraw/zinc/84/26/37/536842637.db2.gz GNOOIPAUZWKOEF-KBPBESRZSA-N 2 2 264.373 0.713 20 0 CCADLP COCCn1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000427112979 536842641 /nfs/dbraw/zinc/84/26/41/536842641.db2.gz GNOOIPAUZWKOEF-KBPBESRZSA-N 2 2 264.373 0.713 20 0 CCADLP Cc1nc(N2CC[NH+](C[C@H](C)CO)CC2)cc[nH+]1 ZINC000680582380 545432871 /nfs/dbraw/zinc/43/28/71/545432871.db2.gz BNXQQKOOWLDJFD-NSHDSACASA-N 2 2 250.346 0.535 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cncnc3)C2)CC1 ZINC000680628712 545434005 /nfs/dbraw/zinc/43/40/05/545434005.db2.gz YLCVRPKFZLLBSR-ZDUSSCGKSA-N 2 2 289.383 0.375 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cncnc3)C2)CC1 ZINC000680628712 545434006 /nfs/dbraw/zinc/43/40/06/545434006.db2.gz YLCVRPKFZLLBSR-ZDUSSCGKSA-N 2 2 289.383 0.375 20 0 CCADLP CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@H]1C[NH+]2CCC1CC2 ZINC000682501367 545480963 /nfs/dbraw/zinc/48/09/63/545480963.db2.gz STGGGULRIHOEEI-KGLIPLIRSA-N 2 2 288.395 0.998 20 0 CCADLP C[C@H](NC(=O)NCC[N@H+]1CC=CCC1)[C@@H]1C[NH+](C)CCO1 ZINC000684397139 545662899 /nfs/dbraw/zinc/66/28/99/545662899.db2.gz BGQCZLDFYDIZLK-KBPBESRZSA-N 2 2 296.415 0.267 20 0 CCADLP C[C@H](NC(=O)NCC[N@@H+]1CC=CCC1)[C@@H]1C[NH+](C)CCO1 ZINC000684397139 545662900 /nfs/dbraw/zinc/66/29/00/545662900.db2.gz BGQCZLDFYDIZLK-KBPBESRZSA-N 2 2 296.415 0.267 20 0 CCADLP C[C@H](NC(=O)NCC[NH+]1CC=CCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000684397139 545662908 /nfs/dbraw/zinc/66/29/08/545662908.db2.gz BGQCZLDFYDIZLK-KBPBESRZSA-N 2 2 296.415 0.267 20 0 CCADLP C[C@H](NC(=O)NCC[NH+]1CC=CCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000684397139 545662917 /nfs/dbraw/zinc/66/29/17/545662917.db2.gz BGQCZLDFYDIZLK-KBPBESRZSA-N 2 2 296.415 0.267 20 0 CCADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@](C)(O)CO ZINC000684536405 545699422 /nfs/dbraw/zinc/69/94/22/545699422.db2.gz DBPKPPAHRICCDL-KBMXLJTQSA-N 2 2 278.396 0.840 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@](C)(O)CO ZINC000684536405 545699425 /nfs/dbraw/zinc/69/94/25/545699425.db2.gz DBPKPPAHRICCDL-KBMXLJTQSA-N 2 2 278.396 0.840 20 0 CCADLP CO[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]c[nH+]c1C ZINC000962401701 649899919 /nfs/dbraw/zinc/89/99/19/649899919.db2.gz CZIBFPQJLPXPHH-NYMYIZQJSA-N 2 2 292.383 0.342 20 0 CCADLP CO[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]c[nH+]c1C ZINC000962401701 649899921 /nfs/dbraw/zinc/89/99/21/649899921.db2.gz CZIBFPQJLPXPHH-NYMYIZQJSA-N 2 2 292.383 0.342 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC1CC(C[NH2+]CC2CC2)C1 ZINC000962467149 649902038 /nfs/dbraw/zinc/90/20/38/649902038.db2.gz SUDDWRULKPQHBP-UHFFFAOYSA-N 2 2 262.357 0.847 20 0 CCADLP CCC[NH+]1CCC([NH2+]C2CC[NH+](CCO)CC2)CC1 ZINC000398979674 581206822 /nfs/dbraw/zinc/20/68/22/581206822.db2.gz DNUVGNSOFJHWSE-UHFFFAOYSA-N 3 2 269.433 0.907 20 0 CCADLP C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[N@@H+]1CCO ZINC000779317020 581180427 /nfs/dbraw/zinc/18/04/27/581180427.db2.gz OFFSTVBMTNAOJG-LBPRGKRZSA-N 2 2 288.351 0.473 20 0 CCADLP C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC[N@H+]1CCO ZINC000779317020 581180428 /nfs/dbraw/zinc/18/04/28/581180428.db2.gz OFFSTVBMTNAOJG-LBPRGKRZSA-N 2 2 288.351 0.473 20 0 CCADLP CC[C@H](CO)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000779754218 581202252 /nfs/dbraw/zinc/20/22/52/581202252.db2.gz QMLWOEIQXXEGAI-CYBMUJFWSA-N 2 2 297.443 0.680 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000726257128 581234459 /nfs/dbraw/zinc/23/44/59/581234459.db2.gz PBZQILSTMNRAIY-LBPRGKRZSA-N 2 2 295.387 0.211 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000726257128 581234461 /nfs/dbraw/zinc/23/44/61/581234461.db2.gz PBZQILSTMNRAIY-LBPRGKRZSA-N 2 2 295.387 0.211 20 0 CCADLP O=C(C1CC1)N1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000781931881 581280544 /nfs/dbraw/zinc/28/05/44/581280544.db2.gz HIFSKMOYGMOPEN-OAHLLOKOSA-N 2 2 295.427 0.387 20 0 CCADLP O=C(C1CC1)N1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000781931881 581280545 /nfs/dbraw/zinc/28/05/45/581280545.db2.gz HIFSKMOYGMOPEN-OAHLLOKOSA-N 2 2 295.427 0.387 20 0 CCADLP OC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(F)c1 ZINC000782063974 581286823 /nfs/dbraw/zinc/28/68/23/581286823.db2.gz ZCTKZNXVOCGJBY-HUUCEWRRSA-N 2 2 282.359 0.905 20 0 CCADLP Cc1cc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)n(C)n1 ZINC000793523048 581302271 /nfs/dbraw/zinc/30/22/71/581302271.db2.gz OYWLZBKOVPMSKF-STQMWFEESA-N 2 2 266.389 0.836 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH+]2CCCC2)[C@@H](C)[C@@H](C)O1 ZINC000782629339 581316125 /nfs/dbraw/zinc/31/61/25/581316125.db2.gz RRVNFNSPPUVYRW-XJFOESAGSA-N 2 2 256.390 0.941 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+]2CCCC2)[C@@H](C)[C@@H](C)O1 ZINC000782629339 581316127 /nfs/dbraw/zinc/31/61/27/581316127.db2.gz RRVNFNSPPUVYRW-XJFOESAGSA-N 2 2 256.390 0.941 20 0 CCADLP C[C@H]1CCC[N@@H+]1CCNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000782717513 581318099 /nfs/dbraw/zinc/31/80/99/581318099.db2.gz TYQDVUMZVBNKOZ-AWEZNQCLSA-N 2 2 295.427 0.842 20 0 CCADLP C[C@H]1CCC[N@H+]1CCNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000782717513 581318101 /nfs/dbraw/zinc/31/81/01/581318101.db2.gz TYQDVUMZVBNKOZ-AWEZNQCLSA-N 2 2 295.427 0.842 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)NCCN1CC[NH+](C)CC1 ZINC000727861201 581337019 /nfs/dbraw/zinc/33/70/19/581337019.db2.gz BTPKSLGKNQKCOU-UHFFFAOYSA-N 2 2 293.415 0.335 20 0 CCADLP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000796375541 581438808 /nfs/dbraw/zinc/43/88/08/581438808.db2.gz LQIKRONZTWFTKG-BXKDBHETSA-N 2 2 282.413 0.819 20 0 CCADLP CC(C)([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(=O)N1CCCC1 ZINC000796592309 581445441 /nfs/dbraw/zinc/44/54/41/581445441.db2.gz JYSGEWGXBZIQSK-CYBMUJFWSA-N 2 2 283.416 0.434 20 0 CCADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1CCC(=O)NC1=O ZINC000765961709 581541858 /nfs/dbraw/zinc/54/18/58/581541858.db2.gz DXKMIEOIXVTXIK-VXGBXAGGSA-N 2 2 267.373 0.598 20 0 CCADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1CCC(=O)NC1=O ZINC000765961709 581541861 /nfs/dbraw/zinc/54/18/61/581541861.db2.gz DXKMIEOIXVTXIK-VXGBXAGGSA-N 2 2 267.373 0.598 20 0 CCADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@@H]1CCC(=O)NC1=O ZINC000765961709 581541864 /nfs/dbraw/zinc/54/18/64/581541864.db2.gz DXKMIEOIXVTXIK-VXGBXAGGSA-N 2 2 267.373 0.598 20 0 CCADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@@H]1CCC(=O)NC1=O ZINC000765961709 581541866 /nfs/dbraw/zinc/54/18/66/581541866.db2.gz DXKMIEOIXVTXIK-VXGBXAGGSA-N 2 2 267.373 0.598 20 0 CCADLP OC[C@@]1([NH2+]C[C@@H](O)C[NH+]2CCCC2)CCc2ccccc21 ZINC000766253576 581559549 /nfs/dbraw/zinc/55/95/49/581559549.db2.gz YEOICIHBYFUIBB-WBVHZDCISA-N 2 2 290.407 0.867 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000767448485 581614252 /nfs/dbraw/zinc/61/42/52/581614252.db2.gz FMVYLBKZIDDFBI-HNNXBMFYSA-N 3 2 280.416 0.970 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000767448485 581614253 /nfs/dbraw/zinc/61/42/53/581614253.db2.gz FMVYLBKZIDDFBI-HNNXBMFYSA-N 3 2 280.416 0.970 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]C2CC(C(F)F)C2)CC1 ZINC000769494505 581692861 /nfs/dbraw/zinc/69/28/61/581692861.db2.gz JXZQFJUJEPNRSB-UHFFFAOYSA-N 2 2 261.316 0.394 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)N(C)CC[NH+](C)C2CC2)CCO1 ZINC000771310530 581798334 /nfs/dbraw/zinc/79/83/34/581798334.db2.gz FBULTOYFRRIVLY-ZDUSSCGKSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)N(C)CC[NH+](C)C2CC2)CCO1 ZINC000771310530 581798338 /nfs/dbraw/zinc/79/83/38/581798338.db2.gz FBULTOYFRRIVLY-ZDUSSCGKSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)N(C)CC[N@H+](C)C2CC2)CCO1 ZINC000771310530 581798342 /nfs/dbraw/zinc/79/83/42/581798342.db2.gz FBULTOYFRRIVLY-ZDUSSCGKSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)N(C)CC[N@@H+](C)C2CC2)CCO1 ZINC000771310530 581798347 /nfs/dbraw/zinc/79/83/47/581798347.db2.gz FBULTOYFRRIVLY-ZDUSSCGKSA-N 2 2 298.431 0.443 20 0 CCADLP CC(C)c1[nH+]ccn1CCNC(=O)CN1CC[NH+](C)CC1 ZINC000732278421 581811494 /nfs/dbraw/zinc/81/14/94/581811494.db2.gz MGUSMBIGLXWOSP-UHFFFAOYSA-N 2 2 293.415 0.370 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCc1cccnc1-n1cc[nH+]c1 ZINC000746116611 581894509 /nfs/dbraw/zinc/89/45/09/581894509.db2.gz KRSUMASPEVYGMR-UHFFFAOYSA-N 2 2 282.307 0.780 20 0 CCADLP CC(C)(CNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000416816822 581908421 /nfs/dbraw/zinc/90/84/21/581908421.db2.gz JGOYXYNBLVNMPE-OLZOCXBDSA-N 2 2 298.431 0.666 20 0 CCADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H]2CCOC2=O)C1 ZINC000746675774 581922139 /nfs/dbraw/zinc/92/21/39/581922139.db2.gz OWIQXJWYVWCRFF-QWHCGFSZSA-N 2 2 270.373 0.735 20 0 CCADLP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H]2CCOC2=O)C1 ZINC000746675774 581922141 /nfs/dbraw/zinc/92/21/41/581922141.db2.gz OWIQXJWYVWCRFF-QWHCGFSZSA-N 2 2 270.373 0.735 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)C1([NH+](C)C)CCC1 ZINC000773844919 581943987 /nfs/dbraw/zinc/94/39/87/581943987.db2.gz DWGBXNJCSPTBRA-UHFFFAOYSA-N 2 2 250.346 0.563 20 0 CCADLP C[NH+](C)[C@@]1(C[NH2+]C2CCN(C=O)CC2)CCSC1 ZINC000774213443 581965805 /nfs/dbraw/zinc/96/58/05/581965805.db2.gz MHCHTIZXVNJUTF-CYBMUJFWSA-N 2 2 271.430 0.634 20 0 CCADLP C[NH+](C)C1(C(=O)NCC[NH+]2CCSCC2)CCC1 ZINC000763044330 581980165 /nfs/dbraw/zinc/98/01/65/581980165.db2.gz MGHYDCQCJJRWFQ-UHFFFAOYSA-N 2 2 271.430 0.636 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)C2=CCCCO2)CC1 ZINC000748747792 581985034 /nfs/dbraw/zinc/98/50/34/581985034.db2.gz WAYNGBFKRIRGTJ-UHFFFAOYSA-N 2 2 281.400 0.823 20 0 CCADLP NS(=O)(=O)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000749515018 582010805 /nfs/dbraw/zinc/01/08/05/582010805.db2.gz JKLPORSEJGZILC-AAEUAGOBSA-N 2 2 287.429 0.224 20 0 CCADLP NS(=O)(=O)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000749515018 582010808 /nfs/dbraw/zinc/01/08/08/582010808.db2.gz JKLPORSEJGZILC-AAEUAGOBSA-N 2 2 287.429 0.224 20 0 CCADLP NS(=O)(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000749515018 582010810 /nfs/dbraw/zinc/01/08/10/582010810.db2.gz JKLPORSEJGZILC-AAEUAGOBSA-N 2 2 287.429 0.224 20 0 CCADLP NS(=O)(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000749515018 582010813 /nfs/dbraw/zinc/01/08/13/582010813.db2.gz JKLPORSEJGZILC-AAEUAGOBSA-N 2 2 287.429 0.224 20 0 CCADLP c1cn(-c2ccc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)cn2)c[nH+]1 ZINC000750040095 582031622 /nfs/dbraw/zinc/03/16/22/582031622.db2.gz SBSHLBIYYBQJDP-ZIAGYGMSSA-N 3 2 269.352 0.919 20 0 CCADLP Cc1nnc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)s1 ZINC000905294052 634834311 /nfs/dbraw/zinc/83/43/11/634834311.db2.gz QMSJNJWZROYBFD-UHFFFAOYSA-N 2 2 284.389 0.391 20 0 CCADLP CC(C)OCC[C@H](O)C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869220 614023849 /nfs/dbraw/zinc/02/38/49/614023849.db2.gz DSHHWLMUIBAROR-UONOGXRCSA-N 2 2 256.390 0.990 20 0 CCADLP CC(C)OCC[C@H](O)C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869220 614023850 /nfs/dbraw/zinc/02/38/50/614023850.db2.gz DSHHWLMUIBAROR-UONOGXRCSA-N 2 2 256.390 0.990 20 0 CCADLP CC(C)(CC[NH+]1CCOCC1)NC(=O)CCn1cc[nH+]c1 ZINC000912952009 614083827 /nfs/dbraw/zinc/08/38/27/614083827.db2.gz HBLUPJSCNVTKAJ-UHFFFAOYSA-N 2 2 294.399 0.890 20 0 CCADLP CC(C)(CNC(=O)C12CC[NH+](CC1)C2)n1cc[nH+]c1 ZINC000912614409 614093530 /nfs/dbraw/zinc/09/35/30/614093530.db2.gz OEUNSLGKXPBVSC-UHFFFAOYSA-N 2 2 262.357 0.830 20 0 CCADLP CC(=O)OC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000894669350 614225593 /nfs/dbraw/zinc/22/55/93/614225593.db2.gz ZIFVJBLBNVTOAU-AAEUAGOBSA-N 2 2 258.362 0.374 20 0 CCADLP CC(=O)OC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000894669350 614225597 /nfs/dbraw/zinc/22/55/97/614225597.db2.gz ZIFVJBLBNVTOAU-AAEUAGOBSA-N 2 2 258.362 0.374 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC2(CNC(=O)N2C)CC1 ZINC000852192098 614264184 /nfs/dbraw/zinc/26/41/84/614264184.db2.gz OEPWYZMYMPVUOQ-ZDUSSCGKSA-N 2 2 298.431 0.177 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC2(CNC(=O)N2C)CC1 ZINC000852192098 614264185 /nfs/dbraw/zinc/26/41/85/614264185.db2.gz OEPWYZMYMPVUOQ-ZDUSSCGKSA-N 2 2 298.431 0.177 20 0 CCADLP COc1ccccc1[C@@H]([NH3+])CNC(=O)Cc1[nH]cc[nH+]1 ZINC000911664742 617317503 /nfs/dbraw/zinc/31/75/03/617317503.db2.gz MPNZUPURWSLQLF-NSHDSACASA-N 2 2 274.324 0.777 20 0 CCADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000876961134 613209645 /nfs/dbraw/zinc/20/96/45/613209645.db2.gz QZMAWFRGQQOVEM-AISTVUNQSA-N 2 2 295.427 0.624 20 0 CCADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000876961134 613209647 /nfs/dbraw/zinc/20/96/47/613209647.db2.gz QZMAWFRGQQOVEM-AISTVUNQSA-N 2 2 295.427 0.624 20 0 CCADLP C(CN1CCOCC1)[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903483549 613223834 /nfs/dbraw/zinc/22/38/34/613223834.db2.gz JAFHBHKKFITNGZ-ZDUSSCGKSA-N 2 2 253.390 0.583 20 0 CCADLP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923530652 613225050 /nfs/dbraw/zinc/22/50/50/613225050.db2.gz LQLBXQALTAOWCU-ZFWWWQNUSA-N 3 2 265.401 0.583 20 0 CCADLP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923530652 613225051 /nfs/dbraw/zinc/22/50/51/613225051.db2.gz LQLBXQALTAOWCU-ZFWWWQNUSA-N 3 2 265.401 0.583 20 0 CCADLP C(C[NH2+][C@H]1C[NH2+]CCOC1)COC[C@H]1CCOC1 ZINC000925523575 613225292 /nfs/dbraw/zinc/22/52/92/613225292.db2.gz TXKXQHWWHQMFLB-OLZOCXBDSA-N 2 2 258.362 0.008 20 0 CCADLP C/C(=C/C(=O)N(C)CCC[NH+](C)C)C[NH+]1CCOCC1 ZINC000901327859 613228148 /nfs/dbraw/zinc/22/81/48/613228148.db2.gz WPCNPAIHHBHZLH-OWBHPGMISA-N 2 2 283.416 0.675 20 0 CCADLP C(OC1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1)[C@H]1CCCO1 ZINC000852744959 613229573 /nfs/dbraw/zinc/22/95/73/613229573.db2.gz LXKGPMKHLGEBJU-CABCVRRESA-N 2 2 284.400 0.635 20 0 CCADLP C(C[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1)C1OCCO1 ZINC000880205583 613231396 /nfs/dbraw/zinc/23/13/96/613231396.db2.gz SWSOQFFPHJXICC-CQSZACIVSA-N 2 2 284.400 0.982 20 0 CCADLP C(C[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1)C1OCCO1 ZINC000880205583 613231400 /nfs/dbraw/zinc/23/14/00/613231400.db2.gz SWSOQFFPHJXICC-CQSZACIVSA-N 2 2 284.400 0.982 20 0 CCADLP C/C(=C\C(=O)N1CCC[C@H]([NH+](C)C)C1)C[NH+]1CCOCC1 ZINC000900525895 613250156 /nfs/dbraw/zinc/25/01/56/613250156.db2.gz AMMOMUZBNQJZPI-GOFCXVBSSA-N 2 2 295.427 0.818 20 0 CCADLP C/C(=C\C(=O)NCC[NH+]1CCC1)C[NH+]1CCOCC1 ZINC000901182202 613255873 /nfs/dbraw/zinc/25/58/73/613255873.db2.gz ZEKQYDCYSVYSEW-ACCUITESSA-N 2 2 267.373 0.087 20 0 CCADLP C/C(=C\C(=O)N[C@@H](C)C[NH+](C)C)C[NH+]1CCOCC1 ZINC000908195451 613258010 /nfs/dbraw/zinc/25/80/10/613258010.db2.gz PGLLXYPHPVLYSH-SRXBQZRASA-N 2 2 269.389 0.331 20 0 CCADLP CC(C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000960375994 613903377 /nfs/dbraw/zinc/90/33/77/613903377.db2.gz QJXGNYCZASNUSC-SSKLVLDBSA-N 2 2 274.368 0.968 20 0 CCADLP CC(C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000960375994 613903378 /nfs/dbraw/zinc/90/33/78/613903378.db2.gz QJXGNYCZASNUSC-SSKLVLDBSA-N 2 2 274.368 0.968 20 0 CCADLP CC(C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000960375994 613903380 /nfs/dbraw/zinc/90/33/80/613903380.db2.gz QJXGNYCZASNUSC-SSKLVLDBSA-N 2 2 274.368 0.968 20 0 CCADLP CC(C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000960375994 613903381 /nfs/dbraw/zinc/90/33/81/613903381.db2.gz QJXGNYCZASNUSC-SSKLVLDBSA-N 2 2 274.368 0.968 20 0 CCADLP CC(C)CC(=O)N1CCC([NH2+][C@H]2C[NH2+]CCOC2)CC1 ZINC000925583241 613989353 /nfs/dbraw/zinc/98/93/53/613989353.db2.gz DEVOLRFGLPOBCH-AWEZNQCLSA-N 2 2 283.416 0.602 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000949046285 614093309 /nfs/dbraw/zinc/09/33/09/614093309.db2.gz NCMXHUGBXNDUKD-AWEZNQCLSA-N 2 2 283.416 0.243 20 0 CCADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000949046285 614093310 /nfs/dbraw/zinc/09/33/10/614093310.db2.gz NCMXHUGBXNDUKD-AWEZNQCLSA-N 2 2 283.416 0.243 20 0 CCADLP CC(C)[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000960530496 614267186 /nfs/dbraw/zinc/26/71/86/614267186.db2.gz XBLCINIRKVJMRX-ZIAGYGMSSA-N 2 2 283.416 0.648 20 0 CCADLP CC(C)[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000960530496 614267188 /nfs/dbraw/zinc/26/71/88/614267188.db2.gz XBLCINIRKVJMRX-ZIAGYGMSSA-N 2 2 283.416 0.648 20 0 CCADLP CC(C)[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000960530496 614267189 /nfs/dbraw/zinc/26/71/89/614267189.db2.gz XBLCINIRKVJMRX-ZIAGYGMSSA-N 2 2 283.416 0.648 20 0 CCADLP CC(C)[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000960530496 614267190 /nfs/dbraw/zinc/26/71/90/614267190.db2.gz XBLCINIRKVJMRX-ZIAGYGMSSA-N 2 2 283.416 0.648 20 0 CCADLP CC(C)(C(N)=O)[NH+]1CCN(C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904324501 614313273 /nfs/dbraw/zinc/31/32/73/614313273.db2.gz ITAWPOPCZSZFJK-HNNXBMFYSA-N 2 2 282.432 0.258 20 0 CCADLP CC(C)[NH+]1CCC(O)(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000901057875 614327118 /nfs/dbraw/zinc/32/71/18/614327118.db2.gz QMCDRMVACPRERS-UHFFFAOYSA-N 2 2 280.372 0.304 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC000818984676 614335062 /nfs/dbraw/zinc/33/50/62/614335062.db2.gz KUCBKYMTBCMLAS-LBPRGKRZSA-N 2 2 262.419 0.741 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC000818984676 614335064 /nfs/dbraw/zinc/33/50/64/614335064.db2.gz KUCBKYMTBCMLAS-LBPRGKRZSA-N 2 2 262.419 0.741 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H](NC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000867458025 614337275 /nfs/dbraw/zinc/33/72/75/614337275.db2.gz IIJKRKJUUIBCHY-CSPWOOARSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H](NC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000867458025 614337277 /nfs/dbraw/zinc/33/72/77/614337277.db2.gz IIJKRKJUUIBCHY-CSPWOOARSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000865034183 614381998 /nfs/dbraw/zinc/38/19/98/614381998.db2.gz SPZWMLZYJTWNAW-ABCZVMIZSA-N 2 2 295.427 0.721 20 0 CCADLP CC(C)[N@H+]1CC[C@H](CNC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000865034183 614381999 /nfs/dbraw/zinc/38/19/99/614381999.db2.gz SPZWMLZYJTWNAW-ABCZVMIZSA-N 2 2 295.427 0.721 20 0 CCADLP CC1(C)C(=O)NCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903729245 614501741 /nfs/dbraw/zinc/50/17/41/614501741.db2.gz LJGRJFKCLJTTPU-GFCCVEGCSA-N 2 2 281.400 0.356 20 0 CCADLP CC1(C)C(=O)NCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903729245 614501744 /nfs/dbraw/zinc/50/17/44/614501744.db2.gz LJGRJFKCLJTTPU-GFCCVEGCSA-N 2 2 281.400 0.356 20 0 CCADLP CCC(CC)[NH2+]CCNC(=O)NCCn1cc[nH+]c1 ZINC000891558657 614574691 /nfs/dbraw/zinc/57/46/91/614574691.db2.gz UPLDMOSIEUDAQK-UHFFFAOYSA-N 2 2 267.377 0.961 20 0 CCADLP CCN(C(=O)[C@@H]1CC[N@H+](CC(C)C)C1)C1C[NH+](CCO)C1 ZINC000950501298 614627294 /nfs/dbraw/zinc/62/72/94/614627294.db2.gz XOOXJXLPTKOLFY-CQSZACIVSA-N 2 2 297.443 0.489 20 0 CCADLP CCN(C(=O)[C@@H]1CC[N@@H+](CC(C)C)C1)C1C[NH+](CCO)C1 ZINC000950501298 614627299 /nfs/dbraw/zinc/62/72/99/614627299.db2.gz XOOXJXLPTKOLFY-CQSZACIVSA-N 2 2 297.443 0.489 20 0 CCADLP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1C[NH+](CCOC)C1 ZINC000950096906 614636719 /nfs/dbraw/zinc/63/67/19/614636719.db2.gz HKVGNTHVGXWTET-OAHLLOKOSA-N 2 2 295.427 0.507 20 0 CCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](CO)c2c[nH+]cn2C)C1 ZINC000912612859 614653956 /nfs/dbraw/zinc/65/39/56/614653956.db2.gz SVHRGDWTDHUJNE-CHWSQXEVSA-N 2 2 294.399 0.692 20 0 CCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](CO)c2c[nH+]cn2C)C1 ZINC000912612859 614653958 /nfs/dbraw/zinc/65/39/58/614653958.db2.gz SVHRGDWTDHUJNE-CHWSQXEVSA-N 2 2 294.399 0.692 20 0 CCADLP CCC1(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)COC1 ZINC000824957392 614673420 /nfs/dbraw/zinc/67/34/20/614673420.db2.gz NDBHQYUMFYKBEP-UHFFFAOYSA-N 2 2 285.432 0.803 20 0 CCADLP CCC1(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)COC1 ZINC000824957392 614673423 /nfs/dbraw/zinc/67/34/23/614673423.db2.gz NDBHQYUMFYKBEP-UHFFFAOYSA-N 2 2 285.432 0.803 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000905258639 614683700 /nfs/dbraw/zinc/68/37/00/614683700.db2.gz ZVAALKBGXVGDBM-UONOGXRCSA-N 2 2 286.416 0.353 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000905258639 614683703 /nfs/dbraw/zinc/68/37/03/614683703.db2.gz ZVAALKBGXVGDBM-UONOGXRCSA-N 2 2 286.416 0.353 20 0 CCADLP CCC1([NH+]2CCC2)CCN(c2nc(N)nc(N)[nH+]2)CC1 ZINC000884716630 614705768 /nfs/dbraw/zinc/70/57/68/614705768.db2.gz DLEFDRQFBQHURM-UHFFFAOYSA-N 2 2 277.376 0.491 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCO[C@H](C)C2)C1 ZINC000853607740 614716184 /nfs/dbraw/zinc/71/61/84/614716184.db2.gz UMJTYGTVCUTMET-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCO[C@H](C)C2)C1 ZINC000853607740 614716186 /nfs/dbraw/zinc/71/61/86/614716186.db2.gz UMJTYGTVCUTMET-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[NH+]1CC[C@@H](NC(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000853607740 614716188 /nfs/dbraw/zinc/71/61/88/614716188.db2.gz UMJTYGTVCUTMET-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[NH+]1CC[C@@H](NC(=O)NCC[N@H+]2CCO[C@H](C)C2)C1 ZINC000853607740 614716190 /nfs/dbraw/zinc/71/61/90/614716190.db2.gz UMJTYGTVCUTMET-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000869286007 614745037 /nfs/dbraw/zinc/74/50/37/614745037.db2.gz YLZLXBAVDZORIN-NQHOJNORSA-N 2 2 281.400 0.475 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000869286007 614745039 /nfs/dbraw/zinc/74/50/39/614745039.db2.gz YLZLXBAVDZORIN-NQHOJNORSA-N 2 2 281.400 0.475 20 0 CCADLP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC000925659551 614774580 /nfs/dbraw/zinc/77/45/80/614774580.db2.gz WNODOGOTNGJGOC-GHMZBOCLSA-N 2 2 279.388 0.804 20 0 CCADLP CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000960645014 614832882 /nfs/dbraw/zinc/83/28/82/614832882.db2.gz NTDZWRLYXNGUOU-RMRHIDDWSA-N 2 2 288.395 0.902 20 0 CCADLP CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000960645014 614832884 /nfs/dbraw/zinc/83/28/84/614832884.db2.gz NTDZWRLYXNGUOU-RMRHIDDWSA-N 2 2 288.395 0.902 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+](CC1CC1)[C@H](C(N)=O)C1CC1 ZINC000879487416 614849734 /nfs/dbraw/zinc/84/97/34/614849734.db2.gz WIZRHBQCIKBJHE-KGLIPLIRSA-N 2 2 283.416 0.275 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](CC1CC1)[C@H](C(N)=O)C1CC1 ZINC000879487416 614849736 /nfs/dbraw/zinc/84/97/36/614849736.db2.gz WIZRHBQCIKBJHE-KGLIPLIRSA-N 2 2 283.416 0.275 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](CC1CC1)[C@H](C(N)=O)C1CC1 ZINC000879487416 614849737 /nfs/dbraw/zinc/84/97/37/614849737.db2.gz WIZRHBQCIKBJHE-KGLIPLIRSA-N 2 2 283.416 0.275 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](CC1CC1)[C@H](C(N)=O)C1CC1 ZINC000879487416 614849738 /nfs/dbraw/zinc/84/97/38/614849738.db2.gz WIZRHBQCIKBJHE-KGLIPLIRSA-N 2 2 283.416 0.275 20 0 CCADLP CC1(C)[C@H]([NH2+][C@@H]2C[NH2+]CCOC2)[C@@H]2CCCO[C@H]21 ZINC000925515412 614864167 /nfs/dbraw/zinc/86/41/67/614864167.db2.gz IBIBYVIQYUKXOU-YVECIDJPSA-N 2 2 254.374 0.768 20 0 CCADLP CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000980453507 614911954 /nfs/dbraw/zinc/91/19/54/614911954.db2.gz BHLWUUCGVQIUIM-GJZGRUSLSA-N 2 2 295.427 0.650 20 0 CCADLP CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000980453507 614911957 /nfs/dbraw/zinc/91/19/57/614911957.db2.gz BHLWUUCGVQIUIM-GJZGRUSLSA-N 2 2 295.427 0.650 20 0 CCADLP CC[N@@H+](CC(=O)NC)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000842471714 614936077 /nfs/dbraw/zinc/93/60/77/614936077.db2.gz UXSYBWYXLSUZFF-ZDUSSCGKSA-N 2 2 279.384 0.805 20 0 CCADLP CC[N@H+](CC(=O)NC)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000842471714 614936079 /nfs/dbraw/zinc/93/60/79/614936079.db2.gz UXSYBWYXLSUZFF-ZDUSSCGKSA-N 2 2 279.384 0.805 20 0 CCADLP CC1=CC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1 ZINC000755767751 614970348 /nfs/dbraw/zinc/97/03/48/614970348.db2.gz KUAZYFRMGGJCRM-UHFFFAOYSA-N 2 2 292.383 0.612 20 0 CCADLP CC1=CC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1 ZINC000755767751 614970352 /nfs/dbraw/zinc/97/03/52/614970352.db2.gz KUAZYFRMGGJCRM-UHFFFAOYSA-N 2 2 292.383 0.612 20 0 CCADLP CC[NH+](CC)CCCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864440861 614991700 /nfs/dbraw/zinc/99/17/00/614991700.db2.gz QKZGVFHUFONCDV-ALCCZGGFSA-N 2 2 283.416 0.723 20 0 CCADLP CC[NH+](CC)CCC[N@@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880567121 614991763 /nfs/dbraw/zinc/99/17/63/614991763.db2.gz VZWIEIUSBGXVMT-ZDUSSCGKSA-N 2 2 258.362 0.328 20 0 CCADLP CC[NH+](CC)CCC[N@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880567121 614991767 /nfs/dbraw/zinc/99/17/67/614991767.db2.gz VZWIEIUSBGXVMT-ZDUSSCGKSA-N 2 2 258.362 0.328 20 0 CCADLP CC[NH+](CC)CCn1cc(C[NH+]2CCC(O)CC2)nn1 ZINC000899695060 615001890 /nfs/dbraw/zinc/00/18/90/615001890.db2.gz PWEJNFHMJZPKQY-UHFFFAOYSA-N 2 2 281.404 0.577 20 0 CCADLP CC[NH2+]CC(=O)NCCCCNc1cccc[nH+]1 ZINC000844181083 615078203 /nfs/dbraw/zinc/07/82/03/615078203.db2.gz NHOMVJFTUDZOAU-UHFFFAOYSA-N 2 2 250.346 0.999 20 0 CCADLP CC[NH2+]CC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000844188332 615078646 /nfs/dbraw/zinc/07/86/46/615078646.db2.gz ZUKRVJYCEVXOJE-UHFFFAOYSA-N 2 2 260.341 0.911 20 0 CCADLP CC[NH2+]C[C@H]1C[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000980743044 615100894 /nfs/dbraw/zinc/10/08/94/615100894.db2.gz GEQRXGDQELSTBN-WDEREUQCSA-N 2 2 250.346 0.799 20 0 CCADLP CC[NH2+]Cc1cn(Cc2[nH+]ccn2CC(F)F)nn1 ZINC000881362333 615102942 /nfs/dbraw/zinc/10/29/42/615102942.db2.gz NBARDLAMLQFWOH-UHFFFAOYSA-N 2 2 270.287 0.898 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCOC)CC1 ZINC000957779246 615110982 /nfs/dbraw/zinc/11/09/82/615110982.db2.gz AKXXXSQDYKLSHU-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCOC)CC1 ZINC000957779246 615110983 /nfs/dbraw/zinc/11/09/83/615110983.db2.gz AKXXXSQDYKLSHU-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP CC[NH2+][C@@H](C)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC000979409060 615112027 /nfs/dbraw/zinc/11/20/27/615112027.db2.gz QSYSHBHGYOSNLO-CMPLNLGQSA-N 2 2 266.345 0.178 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000900009488 615145028 /nfs/dbraw/zinc/14/50/28/615145028.db2.gz JHQJPLQKQWUBFU-GOFCXVBSSA-N 2 2 295.427 0.865 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000900009488 615145030 /nfs/dbraw/zinc/14/50/30/615145030.db2.gz JHQJPLQKQWUBFU-GOFCXVBSSA-N 2 2 295.427 0.865 20 0 CCADLP CCOCCOCC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000930902245 615272790 /nfs/dbraw/zinc/27/27/90/615272790.db2.gz CDILMKYTEXMNJV-AWEZNQCLSA-N 2 2 274.405 0.428 20 0 CCADLP CCOCCOCC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000930902245 615272792 /nfs/dbraw/zinc/27/27/92/615272792.db2.gz CDILMKYTEXMNJV-AWEZNQCLSA-N 2 2 274.405 0.428 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000947929700 615281390 /nfs/dbraw/zinc/28/13/90/615281390.db2.gz NEYSDQSYYOPDBO-NEPJUHHUSA-N 2 2 264.373 0.952 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000947929700 615281391 /nfs/dbraw/zinc/28/13/91/615281391.db2.gz NEYSDQSYYOPDBO-NEPJUHHUSA-N 2 2 264.373 0.952 20 0 CCADLP CCOCCOCC[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000925875585 615282368 /nfs/dbraw/zinc/28/23/68/615282368.db2.gz UZYKWIWFNSLFMV-STQMWFEESA-N 2 2 260.378 0.396 20 0 CCADLP CCON(C)C(=O)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000848919753 615336609 /nfs/dbraw/zinc/33/66/09/615336609.db2.gz RMWDNJAKGFWRIC-AWEZNQCLSA-N 2 2 299.415 0.629 20 0 CCADLP CCON(C)C(=O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000846064997 615338211 /nfs/dbraw/zinc/33/82/11/615338211.db2.gz PMBVSKGCPIMXKG-RYUDHWBXSA-N 2 2 255.362 0.613 20 0 CCADLP CCON(C)C(=O)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000846064997 615338213 /nfs/dbraw/zinc/33/82/13/615338213.db2.gz PMBVSKGCPIMXKG-RYUDHWBXSA-N 2 2 255.362 0.613 20 0 CCADLP CC[C@@H](C(=O)N1CC[N@H+](C)[C@H](CO)C1)[NH+](CC)CC ZINC000913548043 615371375 /nfs/dbraw/zinc/37/13/75/615371375.db2.gz BKGATIPNIODOPO-STQMWFEESA-N 2 2 271.405 0.242 20 0 CCADLP CC[C@@H](C(=O)N1CC[N@@H+](C)[C@H](CO)C1)[NH+](CC)CC ZINC000913548043 615371378 /nfs/dbraw/zinc/37/13/78/615371378.db2.gz BKGATIPNIODOPO-STQMWFEESA-N 2 2 271.405 0.242 20 0 CCADLP CC[C@@H](C(=O)N1CC[C@H]([NH3+])C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911730941 615376250 /nfs/dbraw/zinc/37/62/50/615376250.db2.gz RBMLLBLAEFDAMV-XQQFMLRXSA-N 2 2 269.389 0.435 20 0 CCADLP CC[C@@H](C(=O)N1CC[C@H]([NH3+])C1)[N@H+]1CCO[C@H](CC)C1 ZINC000911730941 615376252 /nfs/dbraw/zinc/37/62/52/615376252.db2.gz RBMLLBLAEFDAMV-XQQFMLRXSA-N 2 2 269.389 0.435 20 0 CCADLP CCO[C@@H]1CCC[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1 ZINC000902776997 615414388 /nfs/dbraw/zinc/41/43/88/615414388.db2.gz QJOSFQFAJPSLGN-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC000978363730 615431872 /nfs/dbraw/zinc/43/18/72/615431872.db2.gz QRHQAQMDQSVHFR-NGFQHRJXSA-N 2 2 288.395 0.759 20 0 CCADLP CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC000978363730 615431874 /nfs/dbraw/zinc/43/18/74/615431874.db2.gz QRHQAQMDQSVHFR-NGFQHRJXSA-N 2 2 288.395 0.759 20 0 CCADLP CCO[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])C[NH+](C)C ZINC000925841888 615484342 /nfs/dbraw/zinc/48/43/42/615484342.db2.gz ULZPSARYCGVRDZ-AAVRWANBSA-N 3 2 273.421 0.295 20 0 CCADLP CCO[C@H](C[NH2+][C@H]1C[C@@H](OCC)[C@@H]1OC)C[NH+](C)C ZINC000896880047 615484646 /nfs/dbraw/zinc/48/46/46/615484646.db2.gz LZZOOSDZAJPLIH-XJFOESAGSA-N 2 2 274.405 0.735 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1CCC[NH+]1C ZINC000875151581 615567519 /nfs/dbraw/zinc/56/75/19/615567519.db2.gz KERFXNIIAKFUSL-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1CCC[NH+]1C ZINC000875151581 615567520 /nfs/dbraw/zinc/56/75/20/615567520.db2.gz KERFXNIIAKFUSL-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000875151581 615567521 /nfs/dbraw/zinc/56/75/21/615567521.db2.gz KERFXNIIAKFUSL-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000875151581 615567522 /nfs/dbraw/zinc/56/75/22/615567522.db2.gz KERFXNIIAKFUSL-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000874702941 615568497 /nfs/dbraw/zinc/56/84/97/615568497.db2.gz PZYMOXCOEJDOAA-KGLIPLIRSA-N 2 2 285.432 0.800 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000874702941 615568498 /nfs/dbraw/zinc/56/84/98/615568498.db2.gz PZYMOXCOEJDOAA-KGLIPLIRSA-N 2 2 285.432 0.800 20 0 CCADLP CCc1cc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)nc(CC)[nH+]1 ZINC000894349805 615651958 /nfs/dbraw/zinc/65/19/58/615651958.db2.gz PHAWRYBXGRUBHC-CYBMUJFWSA-N 2 2 276.384 0.857 20 0 CCADLP CCc1cc(N2CC([N@H+]3CC[C@@H](O)C3)C2)nc(CC)[nH+]1 ZINC000894349805 615651959 /nfs/dbraw/zinc/65/19/59/615651959.db2.gz PHAWRYBXGRUBHC-CYBMUJFWSA-N 2 2 276.384 0.857 20 0 CCADLP C[NH+](C)C1(C(=O)NCC(C)(C)n2cc[nH+]c2)CC1 ZINC000898908984 615842066 /nfs/dbraw/zinc/84/20/66/615842066.db2.gz DQSJFDLZSBEYHF-UHFFFAOYSA-N 2 2 250.346 0.829 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)/C=C/C1CCOCC1 ZINC000855414357 615878522 /nfs/dbraw/zinc/87/85/22/615878522.db2.gz CGWGDXRZUQTOKV-AATRIKPKSA-N 2 2 297.443 0.969 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)/C=C/C1CCOCC1 ZINC000855414357 615878524 /nfs/dbraw/zinc/87/85/24/615878524.db2.gz CGWGDXRZUQTOKV-AATRIKPKSA-N 2 2 297.443 0.969 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@H]1CCCOC1 ZINC000855415136 615879313 /nfs/dbraw/zinc/87/93/13/615879313.db2.gz QWBBISOMULTRJL-CQSZACIVSA-N 2 2 285.432 0.803 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@H]1CCCOC1 ZINC000855415136 615879315 /nfs/dbraw/zinc/87/93/15/615879315.db2.gz QWBBISOMULTRJL-CQSZACIVSA-N 2 2 285.432 0.803 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884401408 615879351 /nfs/dbraw/zinc/87/93/51/615879351.db2.gz OYVKSOMCRPOTBA-CYBMUJFWSA-N 3 2 284.448 0.232 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884401408 615879353 /nfs/dbraw/zinc/87/93/53/615879353.db2.gz OYVKSOMCRPOTBA-CYBMUJFWSA-N 3 2 284.448 0.232 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnc(Cl)cn1 ZINC000857308919 615880215 /nfs/dbraw/zinc/88/02/15/615880215.db2.gz SLWGADHVHZDZGL-UHFFFAOYSA-N 2 2 299.806 0.743 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnc(Cl)cn1 ZINC000857308919 615880217 /nfs/dbraw/zinc/88/02/17/615880217.db2.gz SLWGADHVHZDZGL-UHFFFAOYSA-N 2 2 299.806 0.743 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCn1cc(C2(O)CCC2)nn1 ZINC000864645851 615880362 /nfs/dbraw/zinc/88/03/62/615880362.db2.gz MIZODJFZDIOCNR-UHFFFAOYSA-N 2 2 281.404 0.533 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCn1cc(C2(O)CCC2)nn1 ZINC000864645851 615880366 /nfs/dbraw/zinc/88/03/66/615880366.db2.gz MIZODJFZDIOCNR-UHFFFAOYSA-N 2 2 281.404 0.533 20 0 CCADLP CC[C@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCN1CC(F)F ZINC000923370707 615918737 /nfs/dbraw/zinc/91/87/37/615918737.db2.gz JJHUVTOZKKLFLG-BJDJZHNGSA-N 2 2 277.359 0.498 20 0 CCADLP CC[C@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCN1CC(F)F ZINC000923370707 615918740 /nfs/dbraw/zinc/91/87/40/615918740.db2.gz JJHUVTOZKKLFLG-BJDJZHNGSA-N 2 2 277.359 0.498 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CCC(C)C ZINC000877434778 615926867 /nfs/dbraw/zinc/92/68/67/615926867.db2.gz UOCXUTZNNOKFNS-UONOGXRCSA-N 2 2 285.432 0.977 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H]([NH3+])CCC(C)C ZINC000877434778 615926870 /nfs/dbraw/zinc/92/68/70/615926870.db2.gz UOCXUTZNNOKFNS-UONOGXRCSA-N 2 2 285.432 0.977 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CN(C3CC3)C(=O)O2)C1 ZINC000844295428 615927685 /nfs/dbraw/zinc/92/76/85/615927685.db2.gz BEJLHMCXDCWCIO-AAEUAGOBSA-N 2 2 267.373 0.853 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CN(C3CC3)C(=O)O2)C1 ZINC000844295428 615927687 /nfs/dbraw/zinc/92/76/87/615927687.db2.gz BEJLHMCXDCWCIO-AAEUAGOBSA-N 2 2 267.373 0.853 20 0 CCADLP C[NH+](C)Cc1cnc(C[NH2+]CCOCCC[NH3+])s1 ZINC000863649436 615957193 /nfs/dbraw/zinc/95/71/93/615957193.db2.gz DOMNKRUEJQVGMY-UHFFFAOYSA-N 3 2 272.418 0.660 20 0 CCADLP CN(C)Cc1cnc(C[NH2+]CCOCCC[NH3+])s1 ZINC000863649436 615957195 /nfs/dbraw/zinc/95/71/95/615957195.db2.gz DOMNKRUEJQVGMY-UHFFFAOYSA-N 2 2 272.418 0.660 20 0 CCADLP CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903854116 615962635 /nfs/dbraw/zinc/96/26/35/615962635.db2.gz IBBZNIXGFMKKRZ-RYUDHWBXSA-N 2 2 275.418 0.081 20 0 CCADLP CN(C)S(=O)(=O)CCC[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903854116 615962638 /nfs/dbraw/zinc/96/26/38/615962638.db2.gz IBBZNIXGFMKKRZ-RYUDHWBXSA-N 2 2 275.418 0.081 20 0 CCADLP C[NH+](C)[C@@H](C(=O)N1CCC[N@H+](CCF)CC1)C1CC1 ZINC000981332840 615971494 /nfs/dbraw/zinc/97/14/94/615971494.db2.gz GRCQRDKHEFFNGR-CYBMUJFWSA-N 2 2 271.380 0.830 20 0 CCADLP C[NH+](C)[C@@H](C(=O)N1CCC[N@@H+](CCF)CC1)C1CC1 ZINC000981332840 615971497 /nfs/dbraw/zinc/97/14/97/615971497.db2.gz GRCQRDKHEFFNGR-CYBMUJFWSA-N 2 2 271.380 0.830 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCOC[C@H]3CCCO3)C[C@H]21 ZINC000931279409 615997824 /nfs/dbraw/zinc/99/78/24/615997824.db2.gz HZQYPUYMPACJKF-MQYQWHSLSA-N 2 2 254.374 0.674 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCOC[C@H]3CCCO3)C[C@H]21 ZINC000931279409 615997826 /nfs/dbraw/zinc/99/78/26/615997826.db2.gz HZQYPUYMPACJKF-MQYQWHSLSA-N 2 2 254.374 0.674 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCc3ccc(C(N)=O)cc3)C[C@H]21 ZINC000931277678 615998068 /nfs/dbraw/zinc/99/80/68/615998068.db2.gz RFAFZSZEFAHXML-FICVDOATSA-N 2 2 273.380 0.820 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCc3ccc(C(N)=O)cc3)C[C@H]21 ZINC000931277678 615998071 /nfs/dbraw/zinc/99/80/71/615998071.db2.gz RFAFZSZEFAHXML-FICVDOATSA-N 2 2 273.380 0.820 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H](O)COCc3ccco3)C[C@H]21 ZINC000931283686 615998155 /nfs/dbraw/zinc/99/81/55/615998155.db2.gz WYLLTVOYWRFZJA-SPWCGHHHSA-N 2 2 280.368 0.649 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H](O)COCc3ccco3)C[C@H]21 ZINC000931283686 615998157 /nfs/dbraw/zinc/99/81/57/615998157.db2.gz WYLLTVOYWRFZJA-SPWCGHHHSA-N 2 2 280.368 0.649 20 0 CCADLP CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)O1 ZINC000925629876 616002427 /nfs/dbraw/zinc/00/24/27/616002427.db2.gz MCVRQFJNQOGFPC-FRRDWIJNSA-N 2 2 281.400 0.496 20 0 CCADLP CN(C)c1cc(Cn2cc(CC[C@H](O)C[NH3+])nn2)cc[nH+]1 ZINC000881365638 616006493 /nfs/dbraw/zinc/00/64/93/616006493.db2.gz HTIBFUUBMJCMAK-ZDUSSCGKSA-N 2 2 290.371 0.040 20 0 CCADLP C[N@H+](CC1CC1)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980539379 616062504 /nfs/dbraw/zinc/06/25/04/616062504.db2.gz QGBHVLPWBGMCAK-ZDUSSCGKSA-N 2 2 262.357 0.826 20 0 CCADLP C[N@@H+](CC1CC1)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980539379 616062505 /nfs/dbraw/zinc/06/25/05/616062505.db2.gz QGBHVLPWBGMCAK-ZDUSSCGKSA-N 2 2 262.357 0.826 20 0 CCADLP Cn1nnnc1CC[N@H+](C)CCC[NH+]1CCCC1 ZINC000878550587 616074496 /nfs/dbraw/zinc/07/44/96/616074496.db2.gz YYNQNWAQXRAKNI-UHFFFAOYSA-N 2 2 252.366 0.170 20 0 CCADLP Cn1nnnc1CC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000878550587 616074497 /nfs/dbraw/zinc/07/44/97/616074497.db2.gz YYNQNWAQXRAKNI-UHFFFAOYSA-N 2 2 252.366 0.170 20 0 CCADLP C[N@H+](CCF)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000971432202 616077389 /nfs/dbraw/zinc/07/73/89/616077389.db2.gz ICSJSWWLIWORLI-LLVKDONJSA-N 2 2 268.336 0.845 20 0 CCADLP C[N@@H+](CCF)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000971432202 616077390 /nfs/dbraw/zinc/07/73/90/616077390.db2.gz ICSJSWWLIWORLI-LLVKDONJSA-N 2 2 268.336 0.845 20 0 CCADLP C[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C[C@H]1COCCO1 ZINC000903933229 616098503 /nfs/dbraw/zinc/09/85/03/616098503.db2.gz MOZXMGJTXWLXLY-JSGCOSHPSA-N 2 2 295.387 0.050 20 0 CCADLP C[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C[C@H]1COCCO1 ZINC000903933229 616098504 /nfs/dbraw/zinc/09/85/04/616098504.db2.gz MOZXMGJTXWLXLY-JSGCOSHPSA-N 2 2 295.387 0.050 20 0 CCADLP C[N@H+](CCS(C)(=O)=O)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903724624 616119853 /nfs/dbraw/zinc/11/98/53/616119853.db2.gz OLQBLCKYPQTGNE-LBPRGKRZSA-N 2 2 290.429 0.122 20 0 CCADLP C[N@@H+](CCS(C)(=O)=O)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903724624 616119854 /nfs/dbraw/zinc/11/98/54/616119854.db2.gz OLQBLCKYPQTGNE-LBPRGKRZSA-N 2 2 290.429 0.122 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@H](O)c1ccccc1F)C1CC1 ZINC000843065969 616132045 /nfs/dbraw/zinc/13/20/45/616132045.db2.gz OAWCPZZNAXOHPI-WFASDCNBSA-N 2 2 282.359 0.904 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H](O)c1ccccc1F)C1CC1 ZINC000843065969 616132046 /nfs/dbraw/zinc/13/20/46/616132046.db2.gz OAWCPZZNAXOHPI-WFASDCNBSA-N 2 2 282.359 0.904 20 0 CCADLP C[NH+]1CCC(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000854726938 616166409 /nfs/dbraw/zinc/16/64/09/616166409.db2.gz HPKFLKKLMSATOS-OAHLLOKOSA-N 2 2 295.427 0.651 20 0 CCADLP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)o1)C1CC([NH3+])C1 ZINC000904351090 616167054 /nfs/dbraw/zinc/16/70/54/616167054.db2.gz UUBHQJQFWMBBFP-UHFFFAOYSA-N 3 2 264.373 0.611 20 0 CCADLP C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)o1)C1CC([NH3+])C1 ZINC000904351090 616167056 /nfs/dbraw/zinc/16/70/56/616167056.db2.gz UUBHQJQFWMBBFP-UHFFFAOYSA-N 3 2 264.373 0.611 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](N3C(=O)N[C@@H](CF)C3=O)C2)CC1 ZINC000806672078 616172135 /nfs/dbraw/zinc/17/21/35/616172135.db2.gz NGQHYOAXMMECQW-RYUDHWBXSA-N 2 2 298.362 0.045 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](N3C(=O)N[C@@H](CF)C3=O)C2)CC1 ZINC000806672078 616172136 /nfs/dbraw/zinc/17/21/36/616172136.db2.gz NGQHYOAXMMECQW-RYUDHWBXSA-N 2 2 298.362 0.045 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C[C@H]([NH3+])C3CC3)C2)CC1 ZINC000829482955 616172661 /nfs/dbraw/zinc/17/26/61/616172661.db2.gz BQPMOORFTGCMNG-ZFWWWQNUSA-N 3 2 294.443 0.399 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C[C@H]([NH3+])C3CC3)C2)CC1 ZINC000829482955 616172662 /nfs/dbraw/zinc/17/26/62/616172662.db2.gz BQPMOORFTGCMNG-ZFWWWQNUSA-N 3 2 294.443 0.399 20 0 CCADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000898896197 616184889 /nfs/dbraw/zinc/18/48/89/616184889.db2.gz SKUPCFFXJDZNIR-QWHCGFSZSA-N 2 2 294.399 0.834 20 0 CCADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000898896197 616184890 /nfs/dbraw/zinc/18/48/90/616184890.db2.gz SKUPCFFXJDZNIR-QWHCGFSZSA-N 2 2 294.399 0.834 20 0 CCADLP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925609248 616185897 /nfs/dbraw/zinc/18/58/97/616185897.db2.gz RHCPEGBWSGPFGP-CQSZACIVSA-N 3 2 268.449 0.744 20 0 CCADLP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925609248 616185898 /nfs/dbraw/zinc/18/58/98/616185898.db2.gz RHCPEGBWSGPFGP-CQSZACIVSA-N 3 2 268.449 0.744 20 0 CCADLP CN(C(=O)NCc1c[nH+]cn1C)[C@@H]1CCC[N@H+](C)C1 ZINC000894913899 616188821 /nfs/dbraw/zinc/18/88/21/616188821.db2.gz QEGXJRSENSOASK-LLVKDONJSA-N 2 2 265.361 0.656 20 0 CCADLP CN(C(=O)NCc1c[nH+]cn1C)[C@@H]1CCC[N@@H+](C)C1 ZINC000894913899 616188822 /nfs/dbraw/zinc/18/88/22/616188822.db2.gz QEGXJRSENSOASK-LLVKDONJSA-N 2 2 265.361 0.656 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615548408 616191477 /nfs/dbraw/zinc/19/14/77/616191477.db2.gz OUIRZJAIDYONBC-UONOGXRCSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615548408 616191478 /nfs/dbraw/zinc/19/14/78/616191478.db2.gz OUIRZJAIDYONBC-UONOGXRCSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@H](O)COC1CCOCC1 ZINC000880135522 616200736 /nfs/dbraw/zinc/20/07/36/616200736.db2.gz WRFFOUSGNHTPPO-NUEKZKHPSA-N 2 2 298.427 0.711 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@H](O)COC1CCOCC1 ZINC000880135522 616200737 /nfs/dbraw/zinc/20/07/37/616200737.db2.gz WRFFOUSGNHTPPO-NUEKZKHPSA-N 2 2 298.427 0.711 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](O)COC1CCOCC1 ZINC000880135522 616200738 /nfs/dbraw/zinc/20/07/38/616200738.db2.gz WRFFOUSGNHTPPO-NUEKZKHPSA-N 2 2 298.427 0.711 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@H](O)COC1CCOCC1 ZINC000880135522 616200739 /nfs/dbraw/zinc/20/07/39/616200739.db2.gz WRFFOUSGNHTPPO-NUEKZKHPSA-N 2 2 298.427 0.711 20 0 CCADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)C1 ZINC000821623819 616205400 /nfs/dbraw/zinc/20/54/00/616205400.db2.gz TZRSQUMYLNLKJX-SNVBAGLBSA-N 2 2 276.344 0.891 20 0 CCADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)C1 ZINC000821623819 616205401 /nfs/dbraw/zinc/20/54/01/616205401.db2.gz TZRSQUMYLNLKJX-SNVBAGLBSA-N 2 2 276.344 0.891 20 0 CCADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C1(CN)CCCCC1 ZINC000883454516 616222022 /nfs/dbraw/zinc/22/20/22/616222022.db2.gz DIKXZUQYMMCAPQ-UHFFFAOYSA-N 2 2 296.459 0.744 20 0 CCADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C1(CN)CCCCC1 ZINC000883454516 616222023 /nfs/dbraw/zinc/22/20/23/616222023.db2.gz DIKXZUQYMMCAPQ-UHFFFAOYSA-N 2 2 296.459 0.744 20 0 CCADLP Cn1ncc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)c1C1CC1 ZINC000892712869 616223520 /nfs/dbraw/zinc/22/35/20/616223520.db2.gz DTILPFMKGHROMO-UHFFFAOYSA-N 2 2 291.399 0.161 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000871156121 616225010 /nfs/dbraw/zinc/22/50/10/616225010.db2.gz OOUKIANAORINLO-UHFFFAOYSA-N 2 2 264.373 0.905 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000871156121 616225011 /nfs/dbraw/zinc/22/50/11/616225011.db2.gz OOUKIANAORINLO-UHFFFAOYSA-N 2 2 264.373 0.905 20 0 CCADLP CN1CCN(C(=O)C2([NH+](C)C)CCC2)CC[N@H+](C)CC1 ZINC000888985067 616235166 /nfs/dbraw/zinc/23/51/66/616235166.db2.gz JWEALIHEBVYYFV-UHFFFAOYSA-N 2 2 282.432 0.177 20 0 CCADLP CN1CCN(C(=O)C2([NH+](C)C)CCC2)CC[N@@H+](C)CC1 ZINC000888985067 616235167 /nfs/dbraw/zinc/23/51/67/616235167.db2.gz JWEALIHEBVYYFV-UHFFFAOYSA-N 2 2 282.432 0.177 20 0 CCADLP CN1CC[NH+](CCCNC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000899991196 616240966 /nfs/dbraw/zinc/24/09/66/616240966.db2.gz CSWFILWWJZERLK-AWEZNQCLSA-N 2 2 296.459 0.613 20 0 CCADLP CN1CC[NH+](CCCNC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000899991196 616240967 /nfs/dbraw/zinc/24/09/67/616240967.db2.gz CSWFILWWJZERLK-AWEZNQCLSA-N 2 2 296.459 0.613 20 0 CCADLP C[N@@H+]1CC[C@@H]1CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000913876829 616293187 /nfs/dbraw/zinc/29/31/87/616293187.db2.gz MXEIIEUHPDVHQP-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP C[N@H+]1CC[C@@H]1CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000913876829 616293190 /nfs/dbraw/zinc/29/31/90/616293190.db2.gz MXEIIEUHPDVHQP-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP COC(=O)/C(C)=C\C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000830638264 616294462 /nfs/dbraw/zinc/29/44/62/616294462.db2.gz YBMUUNSGKKCYFO-PQMHYQBVSA-N 2 2 282.384 0.902 20 0 CCADLP COC(=O)/C(C)=C\C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000830638264 616294464 /nfs/dbraw/zinc/29/44/64/616294464.db2.gz YBMUUNSGKKCYFO-PQMHYQBVSA-N 2 2 282.384 0.902 20 0 CCADLP COCC[N@@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900374913 616337216 /nfs/dbraw/zinc/33/72/16/616337216.db2.gz UGGQTTBEAXYQPT-UHFFFAOYSA-N 2 2 266.345 0.133 20 0 CCADLP COCC[N@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900374913 616337222 /nfs/dbraw/zinc/33/72/22/616337222.db2.gz UGGQTTBEAXYQPT-UHFFFAOYSA-N 2 2 266.345 0.133 20 0 CCADLP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1nnc2n1CCC2 ZINC000924623040 616363974 /nfs/dbraw/zinc/36/39/74/616363974.db2.gz FNKQNVHPCOUIEW-BVUQATHDSA-N 2 2 261.373 0.654 20 0 CCADLP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1nnc2n1CCC2 ZINC000924623040 616363979 /nfs/dbraw/zinc/36/39/79/616363979.db2.gz FNKQNVHPCOUIEW-BVUQATHDSA-N 2 2 261.373 0.654 20 0 CCADLP COC/C(C)=C\C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000845492016 616385306 /nfs/dbraw/zinc/38/53/06/616385306.db2.gz AFBSDFFTYYMMRX-ZVHGMHCTSA-N 2 2 295.427 0.864 20 0 CCADLP COC/C(C)=C\C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000845492016 616385309 /nfs/dbraw/zinc/38/53/09/616385309.db2.gz AFBSDFFTYYMMRX-ZVHGMHCTSA-N 2 2 295.427 0.864 20 0 CCADLP COC/C=C/C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855414362 616397811 /nfs/dbraw/zinc/39/78/11/616397811.db2.gz CHEYJVDOTNAKHB-FNORWQNLSA-N 2 2 257.378 0.189 20 0 CCADLP COC/C=C/C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855414362 616397813 /nfs/dbraw/zinc/39/78/13/616397813.db2.gz CHEYJVDOTNAKHB-FNORWQNLSA-N 2 2 257.378 0.189 20 0 CCADLP C[NH+]1CCC[C@H]1c1cc(C(=O)NC[C@H]2CC[N@@H+](C)C2)[nH]n1 ZINC000895819670 616398141 /nfs/dbraw/zinc/39/81/41/616398141.db2.gz YTTOGQNTCGLUQS-RISCZKNCSA-N 2 2 291.399 0.858 20 0 CCADLP C[NH+]1CCC[C@H]1c1cc(C(=O)NC[C@H]2CC[N@H+](C)C2)[nH]n1 ZINC000895819670 616398146 /nfs/dbraw/zinc/39/81/46/616398146.db2.gz YTTOGQNTCGLUQS-RISCZKNCSA-N 2 2 291.399 0.858 20 0 CCADLP C[NH+]1CC[C@H](CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC000895819670 616398152 /nfs/dbraw/zinc/39/81/52/616398152.db2.gz YTTOGQNTCGLUQS-RISCZKNCSA-N 2 2 291.399 0.858 20 0 CCADLP C[NH+]1CC[C@H](CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC000895819670 616398157 /nfs/dbraw/zinc/39/81/57/616398157.db2.gz YTTOGQNTCGLUQS-RISCZKNCSA-N 2 2 291.399 0.858 20 0 CCADLP COC/C=C\C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000865751181 616408994 /nfs/dbraw/zinc/40/89/94/616408994.db2.gz WTHMDSUCJOBBDM-DHCBQETCSA-N 2 2 281.400 0.474 20 0 CCADLP COC/C=C\C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000865751181 616408998 /nfs/dbraw/zinc/40/89/98/616408998.db2.gz WTHMDSUCJOBBDM-DHCBQETCSA-N 2 2 281.400 0.474 20 0 CCADLP COC(=O)C1CC([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000877723680 616457461 /nfs/dbraw/zinc/45/74/61/616457461.db2.gz ONEWUNVQDONHCS-UXUKBGGZSA-N 2 2 282.384 0.781 20 0 CCADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000912613980 616473221 /nfs/dbraw/zinc/47/32/21/616473221.db2.gz GCWKCBZPGQPVRL-RISCZKNCSA-N 2 2 280.372 0.190 20 0 CCADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000912613980 616473222 /nfs/dbraw/zinc/47/32/22/616473222.db2.gz GCWKCBZPGQPVRL-RISCZKNCSA-N 2 2 280.372 0.190 20 0 CCADLP COC1(OC)CC[C@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000926231354 616485990 /nfs/dbraw/zinc/48/59/90/616485990.db2.gz ZWEVQHVIQXEBEI-WDEREUQCSA-N 2 2 251.330 0.939 20 0 CCADLP C[NH+]1C[C@]2(C)CN(C(=O)Cn3cc[nH+]c3)C[C@@]2(C)C1 ZINC000913276766 616513248 /nfs/dbraw/zinc/51/32/48/616513248.db2.gz LZAIRBKIBBSUGY-ZIAGYGMSSA-N 2 2 262.357 0.683 20 0 CCADLP CN1CC(=O)N(CC[NH+]2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)C1=O ZINC000931316210 616513757 /nfs/dbraw/zinc/51/37/57/616513757.db2.gz HKMBYXKOWHHREC-HUUCEWRRSA-N 2 2 294.399 0.154 20 0 CCADLP COC(=O)[C@@]1(F)CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903768461 616550774 /nfs/dbraw/zinc/55/07/74/616550774.db2.gz NPPBXUAOYJWMBX-DGCLKSJQSA-N 2 2 258.337 0.963 20 0 CCADLP COC(=O)[C@@]1(F)CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903768461 616550778 /nfs/dbraw/zinc/55/07/78/616550778.db2.gz NPPBXUAOYJWMBX-DGCLKSJQSA-N 2 2 258.337 0.963 20 0 CCADLP COCCOCCOCC[N@@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903804433 616551127 /nfs/dbraw/zinc/55/11/27/616551127.db2.gz GKSJKLYZECVIRV-GJZGRUSLSA-N 2 2 286.416 0.869 20 0 CCADLP COCCOCCOCC[N@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903804433 616551130 /nfs/dbraw/zinc/55/11/30/616551130.db2.gz GKSJKLYZECVIRV-GJZGRUSLSA-N 2 2 286.416 0.869 20 0 CCADLP COCCOc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000892252682 616592572 /nfs/dbraw/zinc/59/25/72/616592572.db2.gz QDLVMEZFMCRELL-VXGBXAGGSA-N 2 2 266.341 0.956 20 0 CCADLP COCCS(=O)(=O)CCC[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000843362488 616606080 /nfs/dbraw/zinc/60/60/80/616606080.db2.gz JNBLRFFTWBSOEU-NWDGAFQWSA-N 2 2 278.418 0.107 20 0 CCADLP COCCS(=O)(=O)CCC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000843362488 616606082 /nfs/dbraw/zinc/60/60/82/616606082.db2.gz JNBLRFFTWBSOEU-NWDGAFQWSA-N 2 2 278.418 0.107 20 0 CCADLP CO[C@@H]1CCC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000903206500 616630944 /nfs/dbraw/zinc/63/09/44/616630944.db2.gz RCISROAVZFCXBG-RWMBFGLXSA-N 2 2 269.389 0.483 20 0 CCADLP CO[C@@H]1CCC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000903206500 616630947 /nfs/dbraw/zinc/63/09/47/616630947.db2.gz RCISROAVZFCXBG-RWMBFGLXSA-N 2 2 269.389 0.483 20 0 CCADLP COC(=O)C[C@@H]1C[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903753852 616666243 /nfs/dbraw/zinc/66/62/43/616666243.db2.gz YSOCTGZLVGMJRQ-VNHYZAJKSA-N 2 2 298.383 0.019 20 0 CCADLP COC(=O)C[C@@H]1C[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903753852 616666245 /nfs/dbraw/zinc/66/62/45/616666245.db2.gz YSOCTGZLVGMJRQ-VNHYZAJKSA-N 2 2 298.383 0.019 20 0 CCADLP COC(=O)[C@H]1[C@H](C[NH2+]C[C@@H]2CCC[N@@H+]2C)C1(F)F ZINC000895411122 616738576 /nfs/dbraw/zinc/73/85/76/616738576.db2.gz LKYIOJMOHSEGLC-LPEHRKFASA-N 2 2 262.300 0.725 20 0 CCADLP COC(=O)[C@H]1[C@H](C[NH2+]C[C@@H]2CCC[N@H+]2C)C1(F)F ZINC000895411122 616738579 /nfs/dbraw/zinc/73/85/79/616738579.db2.gz LKYIOJMOHSEGLC-LPEHRKFASA-N 2 2 262.300 0.725 20 0 CCADLP COC(=O)N(C)CC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000854227847 616795332 /nfs/dbraw/zinc/79/53/32/616795332.db2.gz RNWPFARUSNGYGK-VXGBXAGGSA-N 2 2 271.361 0.041 20 0 CCADLP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@@H]([NH3+])CC(F)F)C2 ZINC000903977086 616800555 /nfs/dbraw/zinc/80/05/55/616800555.db2.gz ISCUAMPLVLNPPN-WJZNIJOASA-N 3 2 291.342 0.181 20 0 CCADLP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C[C@@H]([NH3+])CC(F)F)C2 ZINC000903977086 616800559 /nfs/dbraw/zinc/80/05/59/616800559.db2.gz ISCUAMPLVLNPPN-WJZNIJOASA-N 3 2 291.342 0.181 20 0 CCADLP COC(=O)N1CCC(C[NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925672737 616821595 /nfs/dbraw/zinc/82/15/95/616821595.db2.gz XFFGFDFIAJJGGI-GFCCVEGCSA-N 2 2 271.361 0.043 20 0 CCADLP COC[C@]1(C(=O)OC)CCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903464918 616860066 /nfs/dbraw/zinc/86/00/66/616860066.db2.gz ZPJXQXPTWOKANR-DYEKYZERSA-N 2 2 270.373 0.496 20 0 CCADLP COC[C@]1(C(=O)OC)CCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903464918 616860068 /nfs/dbraw/zinc/86/00/68/616860068.db2.gz ZPJXQXPTWOKANR-DYEKYZERSA-N 2 2 270.373 0.496 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000923358533 616964828 /nfs/dbraw/zinc/96/48/28/616964828.db2.gz IFUUYKPQDORYIP-CQSZACIVSA-N 3 2 285.432 0.001 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000923358533 616964830 /nfs/dbraw/zinc/96/48/30/616964830.db2.gz IFUUYKPQDORYIP-CQSZACIVSA-N 3 2 285.432 0.001 20 0 CCADLP COC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000904345655 616967755 /nfs/dbraw/zinc/96/77/55/616967755.db2.gz HXYGXAIDMWWOKR-LBPRGKRZSA-N 2 2 289.339 0.786 20 0 CCADLP COCC[N@H+](CC1CC[NH+](C)CC1)C[C@@H]1C[NH2+]CCO1 ZINC000866672908 616991228 /nfs/dbraw/zinc/99/12/28/616991228.db2.gz OTNDMRJJNRIYFF-HNNXBMFYSA-N 3 2 285.432 0.265 20 0 CCADLP COCC[N@@H+](CC1CC[NH+](C)CC1)C[C@@H]1C[NH2+]CCO1 ZINC000866672908 616991234 /nfs/dbraw/zinc/99/12/34/616991234.db2.gz OTNDMRJJNRIYFF-HNNXBMFYSA-N 3 2 285.432 0.265 20 0 CCADLP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000911863220 616999049 /nfs/dbraw/zinc/99/90/49/616999049.db2.gz BHKKKDLWBRBSTJ-CMPLNLGQSA-N 2 2 250.346 0.799 20 0 CCADLP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000911863220 616999056 /nfs/dbraw/zinc/99/90/56/616999056.db2.gz BHKKKDLWBRBSTJ-CMPLNLGQSA-N 2 2 250.346 0.799 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000872154583 617001294 /nfs/dbraw/zinc/00/12/94/617001294.db2.gz UGIDZJGSWMWSPL-AXFHLTTASA-N 2 2 284.322 0.999 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000872154583 617001301 /nfs/dbraw/zinc/00/13/01/617001301.db2.gz UGIDZJGSWMWSPL-AXFHLTTASA-N 2 2 284.322 0.999 20 0 CCADLP C[NH2+]Cc1cn(Cc2[nH+]ccn2CC(F)F)nn1 ZINC000881362394 617002867 /nfs/dbraw/zinc/00/28/67/617002867.db2.gz OTIGYRKYARCCJJ-UHFFFAOYSA-N 2 2 256.260 0.507 20 0 CCADLP CO[C@H](C)C[N@@H+]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000981716854 617059823 /nfs/dbraw/zinc/05/98/23/617059823.db2.gz RVRUQIMSTIIPHO-CQSZACIVSA-N 2 2 294.399 0.842 20 0 CCADLP CO[C@H](C)C[N@H+]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000981716854 617059827 /nfs/dbraw/zinc/05/98/27/617059827.db2.gz RVRUQIMSTIIPHO-CQSZACIVSA-N 2 2 294.399 0.842 20 0 CCADLP COc1c(C)c[nH+]c(CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])c1C ZINC000876742599 617145814 /nfs/dbraw/zinc/14/58/14/617145814.db2.gz ZLVXKJBQMJEUDZ-GXFFZTMASA-N 2 2 279.340 0.439 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000906094630 617147980 /nfs/dbraw/zinc/14/79/80/617147980.db2.gz OXCZEEBYNMQECL-RNFRBKRXSA-N 2 2 291.277 0.783 20 0 CCADLP CO[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]c[nH+]c1C ZINC000962401691 617156554 /nfs/dbraw/zinc/15/65/54/617156554.db2.gz CZIBFPQJLPXPHH-APAOZMKASA-N 2 2 292.383 0.342 20 0 CCADLP CO[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]c[nH+]c1C ZINC000962401691 617156556 /nfs/dbraw/zinc/15/65/56/617156556.db2.gz CZIBFPQJLPXPHH-APAOZMKASA-N 2 2 292.383 0.342 20 0 CCADLP Cc1cc(N)nc(N[C@@H](C)CC[NH+]2CCN(C)CC2)[nH+]1 ZINC000893236719 625390934 /nfs/dbraw/zinc/39/09/34/625390934.db2.gz JXSNGVQNOLQULI-NSHDSACASA-N 2 2 278.404 0.805 20 0 CCADLP C[C@@H]1[C@H]([NH+](C)C)CCN1CCC[NH+]1CCOCC1 ZINC000931043871 625463816 /nfs/dbraw/zinc/46/38/16/625463816.db2.gz RBHRLVDBRYEIGE-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP CS(=O)(=O)C1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CCC1 ZINC000925663220 625483514 /nfs/dbraw/zinc/48/35/14/625483514.db2.gz QGSACSMKUQHHBV-JZRPKSSGSA-N 2 2 284.425 0.540 20 0 CCADLP C[C@H]([NH3+])[C@H]([NH2+]C[C@@H](O)Cn1ccnn1)c1ccccc1 ZINC000925685061 625559645 /nfs/dbraw/zinc/55/96/45/625559645.db2.gz FHNGHXGFJKMJBU-YUTCNCBUSA-N 2 2 275.356 0.317 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000892081620 622570021 /nfs/dbraw/zinc/57/00/21/622570021.db2.gz CGHSLPWCIJRGOX-SNVBAGLBSA-N 2 2 251.334 0.361 20 0 CCADLP C[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000972040251 622600185 /nfs/dbraw/zinc/60/01/85/622600185.db2.gz OBXMFWPKRASKSI-QWHCGFSZSA-N 2 2 280.372 0.187 20 0 CCADLP C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000972040251 622600191 /nfs/dbraw/zinc/60/01/91/622600191.db2.gz OBXMFWPKRASKSI-QWHCGFSZSA-N 2 2 280.372 0.187 20 0 CCADLP OCC[N@@H+]1CCC[C@H]2[C@H]1CCN2CCC[NH+]1CCOCC1 ZINC000934257592 622624516 /nfs/dbraw/zinc/62/45/16/622624516.db2.gz AOFJIFBRTOJQDX-JKSUJKDBSA-N 2 2 297.443 0.240 20 0 CCADLP OCC[N@H+]1CCC[C@H]2[C@H]1CCN2CCC[NH+]1CCOCC1 ZINC000934257592 622624519 /nfs/dbraw/zinc/62/45/19/622624519.db2.gz AOFJIFBRTOJQDX-JKSUJKDBSA-N 2 2 297.443 0.240 20 0 CCADLP C[C@H]1C[N@H+](CCNc2cc[nH+]cc2CO)CCO1 ZINC000892246002 622687782 /nfs/dbraw/zinc/68/77/82/622687782.db2.gz GBYPNPNEKNLUDJ-NSHDSACASA-N 2 2 251.330 0.128 20 0 CCADLP C[C@H]1C[N@@H+](CCNc2cc[nH+]cc2CO)CCO1 ZINC000892246002 622687790 /nfs/dbraw/zinc/68/77/90/622687790.db2.gz GBYPNPNEKNLUDJ-NSHDSACASA-N 2 2 251.330 0.128 20 0 CCADLP C[C@@H]1COC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000926411734 622741256 /nfs/dbraw/zinc/74/12/56/622741256.db2.gz SVFLSLIDOGWKJI-OIYCOIKZSA-N 2 2 295.427 0.695 20 0 CCADLP C[C@@H]1COC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000926411734 622741260 /nfs/dbraw/zinc/74/12/60/622741260.db2.gz SVFLSLIDOGWKJI-OIYCOIKZSA-N 2 2 295.427 0.695 20 0 CCADLP C[C@H]1COC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000926411730 622741746 /nfs/dbraw/zinc/74/17/46/622741746.db2.gz SVFLSLIDOGWKJI-LUGNKYPNSA-N 2 2 295.427 0.695 20 0 CCADLP C[C@H]1COC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000926411730 622741750 /nfs/dbraw/zinc/74/17/50/622741750.db2.gz SVFLSLIDOGWKJI-LUGNKYPNSA-N 2 2 295.427 0.695 20 0 CCADLP C[C@H](O)C[NH+]1CCN(c2nccn3c[nH+]cc23)CC1 ZINC000892312812 622830842 /nfs/dbraw/zinc/83/08/42/622830842.db2.gz IDAMCAQEKWBHNG-NSHDSACASA-N 2 2 261.329 0.232 20 0 CCADLP Cc1oncc1C[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001022888275 622834684 /nfs/dbraw/zinc/83/46/84/622834684.db2.gz GCQBUAAHKISGDP-TXEJJXNPSA-N 2 2 289.339 0.686 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC2)C1 ZINC001022978012 622874963 /nfs/dbraw/zinc/87/49/63/622874963.db2.gz LJQRWJAVEJQAJH-TXEJJXNPSA-N 2 2 262.357 0.609 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccon2)C1 ZINC001023091111 622907292 /nfs/dbraw/zinc/90/72/92/622907292.db2.gz JAFBEKCPUIXSPH-BETUJISGSA-N 2 2 289.339 0.617 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]([N@H+](C)CCO)C1 ZINC000972515721 622918363 /nfs/dbraw/zinc/91/83/63/622918363.db2.gz ANVHNTXKVVEBEA-AAEUAGOBSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]([N@@H+](C)CCO)C1 ZINC000972515721 622918379 /nfs/dbraw/zinc/91/83/79/622918379.db2.gz ANVHNTXKVVEBEA-AAEUAGOBSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]([N@H+](C)CCO)C1 ZINC000972515721 622918391 /nfs/dbraw/zinc/91/83/91/622918391.db2.gz ANVHNTXKVVEBEA-AAEUAGOBSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]([N@@H+](C)CCO)C1 ZINC000972515721 622918400 /nfs/dbraw/zinc/91/84/00/622918400.db2.gz ANVHNTXKVVEBEA-AAEUAGOBSA-N 2 2 280.372 0.113 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]Cc2cnns2)C1 ZINC001023161033 622936090 /nfs/dbraw/zinc/93/60/90/622936090.db2.gz LWZFCOXMJAHDIW-AOOOYVTPSA-N 2 2 292.368 0.172 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+](CCF)C2)C1 ZINC001023291273 622985185 /nfs/dbraw/zinc/98/51/85/622985185.db2.gz HBBBDHIAQFGVCW-STQMWFEESA-N 2 2 287.379 0.115 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+](CCF)C2)C1 ZINC001023291273 622985189 /nfs/dbraw/zinc/98/51/89/622985189.db2.gz HBBBDHIAQFGVCW-STQMWFEESA-N 2 2 287.379 0.115 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@H+](CCF)C2)C1 ZINC001023291273 622985193 /nfs/dbraw/zinc/98/51/93/622985193.db2.gz HBBBDHIAQFGVCW-STQMWFEESA-N 2 2 287.379 0.115 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@@H+](CCF)C2)C1 ZINC001023291273 622985201 /nfs/dbraw/zinc/98/52/01/622985201.db2.gz HBBBDHIAQFGVCW-STQMWFEESA-N 2 2 287.379 0.115 20 0 CCADLP C[C@H]([NH3+])[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccccc1 ZINC000925696097 625615799 /nfs/dbraw/zinc/61/57/99/625615799.db2.gz ZIHWAPFRARZKHW-ZFWWWQNUSA-N 3 2 262.401 0.570 20 0 CCADLP C[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000972730283 623182664 /nfs/dbraw/zinc/18/26/64/623182664.db2.gz UTUPZSXOGDDYPX-VXGBXAGGSA-N 2 2 294.399 0.601 20 0 CCADLP C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000972730283 623182671 /nfs/dbraw/zinc/18/26/71/623182671.db2.gz UTUPZSXOGDDYPX-VXGBXAGGSA-N 2 2 294.399 0.601 20 0 CCADLP CC[C@@H]1COC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000926749277 623520611 /nfs/dbraw/zinc/52/06/11/623520611.db2.gz LCRQRTFZJJIFOU-UPJWGTAASA-N 2 2 269.389 0.341 20 0 CCADLP CC[C@@H]1COC[C@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000926749277 623520616 /nfs/dbraw/zinc/52/06/16/623520616.db2.gz LCRQRTFZJJIFOU-UPJWGTAASA-N 2 2 269.389 0.341 20 0 CCADLP Cc1cc(N)nc(N2CC[NH+](CC3CCOCC3)CC2)[nH+]1 ZINC000892603439 623580053 /nfs/dbraw/zinc/58/00/53/623580053.db2.gz LZRMAAHCUYXCNF-UHFFFAOYSA-N 2 2 291.399 0.916 20 0 CCADLP CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001026929368 625663196 /nfs/dbraw/zinc/66/31/96/625663196.db2.gz QWUHRTGBGWJDOL-QWHCGFSZSA-N 2 2 276.384 0.904 20 0 CCADLP C(CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C[NH+]1CCOCC1 ZINC000328570419 623887118 /nfs/dbraw/zinc/88/71/18/623887118.db2.gz RPBWEOWIOHZPMA-XPABHHOTSA-N 2 2 265.401 0.295 20 0 CCADLP Cc1noc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001019771268 623902960 /nfs/dbraw/zinc/90/29/60/623902960.db2.gz GPVKMPFWDGHUOL-RYUDHWBXSA-N 2 2 293.371 0.020 20 0 CCADLP Cc1noc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001019771268 623902970 /nfs/dbraw/zinc/90/29/70/623902970.db2.gz GPVKMPFWDGHUOL-RYUDHWBXSA-N 2 2 293.371 0.020 20 0 CCADLP Cc1cnc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC001019771663 623903740 /nfs/dbraw/zinc/90/37/40/623903740.db2.gz VRBZMAOWVUCDAZ-OLZOCXBDSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1cnc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC001019771663 623903747 /nfs/dbraw/zinc/90/37/47/623903747.db2.gz VRBZMAOWVUCDAZ-OLZOCXBDSA-N 2 2 292.383 0.625 20 0 CCADLP O=C([C@H](C1CC1)[NH+]1CCOCC1)N1CC[C@H]([NH2+]CCF)C1 ZINC001019799288 623911702 /nfs/dbraw/zinc/91/17/02/623911702.db2.gz IMXYORWCJMNKLU-KBPBESRZSA-N 2 2 299.390 0.257 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902452137 634389273 /nfs/dbraw/zinc/38/92/73/634389273.db2.gz JDNBVWWBBQHQQU-QSAXWINLSA-N 2 2 252.358 0.519 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001020603649 624547782 /nfs/dbraw/zinc/54/77/82/624547782.db2.gz KPRYKTYGBSIEKB-JZRPKSSGSA-N 2 2 292.383 0.141 20 0 CCADLP Cc1ncc(C[NH2+][C@H]2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)o1 ZINC001020636653 624556661 /nfs/dbraw/zinc/55/66/61/624556661.db2.gz CAMRUPLGFXCZDZ-XYPYZODXSA-N 2 2 289.339 0.686 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]([NH2+]CC2CCOCC2)C1 ZINC001020818935 624606970 /nfs/dbraw/zinc/60/69/70/624606970.db2.gz JZNDCWQFXLKKDN-JOCQHMNTSA-N 2 2 292.383 0.616 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]Cc2ccon2)C1 ZINC001021125929 624662185 /nfs/dbraw/zinc/66/21/85/624662185.db2.gz AJJWZXUCRKNDGE-HAQNSBGRSA-N 2 2 275.312 0.308 20 0 CCADLP O=C(N[C@H]1C[C@@H]([NH2+]CCF)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001022229408 624896283 /nfs/dbraw/zinc/89/62/83/624896283.db2.gz DITLIRYAMDRHLP-LMLFDSFASA-N 2 2 266.320 0.720 20 0 CCADLP O=C(N[C@H]1C[C@@H]([NH2+]CCF)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001022229408 624896284 /nfs/dbraw/zinc/89/62/84/624896284.db2.gz DITLIRYAMDRHLP-LMLFDSFASA-N 2 2 266.320 0.720 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](C)O)C1 ZINC001022275610 624907667 /nfs/dbraw/zinc/90/76/67/624907667.db2.gz NZEAIWXHGGSTMD-WCFLWFBJSA-N 2 2 293.367 0.250 20 0 CCADLP O=C(N[C@H]1C[C@@H]([NH2+]CCF)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001022309573 624921246 /nfs/dbraw/zinc/92/12/46/624921246.db2.gz DIPSNQLOAIERAB-UTUOFQBUSA-N 2 2 280.347 0.652 20 0 CCADLP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](CCO)CC1 ZINC000087083495 624921617 /nfs/dbraw/zinc/92/16/17/624921617.db2.gz FEFAURFPDMHUSM-UHFFFAOYSA-N 2 2 285.432 0.635 20 0 CCADLP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](CCO)CC1 ZINC000087083495 624921618 /nfs/dbraw/zinc/92/16/18/624921618.db2.gz FEFAURFPDMHUSM-UHFFFAOYSA-N 2 2 285.432 0.635 20 0 CCADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891820122 624937258 /nfs/dbraw/zinc/93/72/58/624937258.db2.gz WHVWTXDTCJCNQZ-UTUOFQBUSA-N 2 2 275.356 0.344 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001022423760 624976273 /nfs/dbraw/zinc/97/62/73/624976273.db2.gz HSYOFPPPUCMGQG-UTUOFQBUSA-N 2 2 288.351 0.566 20 0 CCADLP C[C@H]1CCN(c2cc(N3CCOCC3)[nH+]cn2)[C@@H](C[NH3+])C1 ZINC000957128444 625885848 /nfs/dbraw/zinc/88/58/48/625885848.db2.gz ONCLQUACXPMWSH-QWHCGFSZSA-N 2 2 291.399 0.877 20 0 CCADLP [NH3+]C[C@H]1CCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717214 634629482 /nfs/dbraw/zinc/62/94/82/634629482.db2.gz KJVJKNIONPYAQA-OLZOCXBDSA-N 3 2 253.390 0.568 20 0 CCADLP [NH3+]C[C@H]1CCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717214 634629485 /nfs/dbraw/zinc/62/94/85/634629485.db2.gz KJVJKNIONPYAQA-OLZOCXBDSA-N 3 2 253.390 0.568 20 0 CCADLP C[C@@H]1CC[N@H+](Cc2[nH]nc3c2COCC3)C[C@@H]1C[NH3+] ZINC000903759956 634639824 /nfs/dbraw/zinc/63/98/24/634639824.db2.gz CKPJTTSNEJLCHI-MNOVXSKESA-N 2 2 264.373 0.899 20 0 CCADLP C[C@@H]1CC[N@@H+](Cc2[nH]nc3c2COCC3)C[C@@H]1C[NH3+] ZINC000903759956 634639832 /nfs/dbraw/zinc/63/98/32/634639832.db2.gz CKPJTTSNEJLCHI-MNOVXSKESA-N 2 2 264.373 0.899 20 0 CCADLP [NH3+]C[C@@]12CC[C@@H]1CCCN2CC[NH+]1CCOCC1 ZINC000903797625 634654078 /nfs/dbraw/zinc/65/40/78/634654078.db2.gz ISHPKPOLWXFRMV-KBPBESRZSA-N 2 2 253.390 0.522 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@H](O)C[NH+]1CCCC1)C2 ZINC000903839480 634664495 /nfs/dbraw/zinc/66/44/95/634664495.db2.gz LVPVWYNNAKABAV-RFQIPJPRSA-N 3 2 253.390 0.255 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H](O)C[NH+]1CCCC1)C2 ZINC000903839480 634664501 /nfs/dbraw/zinc/66/45/01/634664501.db2.gz LVPVWYNNAKABAV-RFQIPJPRSA-N 3 2 253.390 0.255 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cnn1C ZINC000903873738 634674303 /nfs/dbraw/zinc/67/43/03/634674303.db2.gz LXUZFCGALIVDFU-UXIGCNINSA-N 3 2 279.432 0.515 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cnn1C ZINC000903873738 634674305 /nfs/dbraw/zinc/67/43/05/634674305.db2.gz LXUZFCGALIVDFU-UXIGCNINSA-N 3 2 279.432 0.515 20 0 CCADLP [NH3+][C@@H](CC(F)F)C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000903900109 634680107 /nfs/dbraw/zinc/68/01/07/634680107.db2.gz YPGFOWBHGMCTCM-NSHDSACASA-N 2 2 273.331 0.973 20 0 CCADLP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH2+]CCC[NH2+]C1CC1 ZINC000903919552 634686351 /nfs/dbraw/zinc/68/63/51/634686351.db2.gz NTNQLNRMSBPAIO-CYBMUJFWSA-N 3 2 278.404 0.434 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cnn1C ZINC000903919998 634686589 /nfs/dbraw/zinc/68/65/89/634686589.db2.gz QYIQYZLPZIWUDO-LNSITVRQSA-N 3 2 279.432 0.434 20 0 CCADLP [NH3+]C[C@H]1CC2(CO1)CC[NH+](C[C@H]([NH3+])CC(F)F)CC2 ZINC000904393351 634738520 /nfs/dbraw/zinc/73/85/20/634738520.db2.gz QVRZNRLUMVXYKQ-GHMZBOCLSA-N 3 2 277.359 0.799 20 0 CCADLP C[N@H+](CCO)[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001027649716 630832760 /nfs/dbraw/zinc/83/27/60/630832760.db2.gz RRYSBWCYXYMKPF-LBPRGKRZSA-N 2 2 294.399 0.602 20 0 CCADLP C[N@@H+](CCO)[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001027649716 630832762 /nfs/dbraw/zinc/83/27/62/630832762.db2.gz RRYSBWCYXYMKPF-LBPRGKRZSA-N 2 2 294.399 0.602 20 0 CCADLP C[C@H]([NH2+]CC1CC1)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC000979402193 630923736 /nfs/dbraw/zinc/92/37/36/630923736.db2.gz IKASGKCIAKOOSG-FZMZJTMJSA-N 2 2 292.383 0.568 20 0 CCADLP C[C@H](O)C[N@@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000982052005 631372563 /nfs/dbraw/zinc/37/25/63/631372563.db2.gz SYCOOGDUAFOWHH-KBPBESRZSA-N 2 2 294.399 0.749 20 0 CCADLP C[C@H](O)C[N@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000982052005 631372567 /nfs/dbraw/zinc/37/25/67/631372567.db2.gz SYCOOGDUAFOWHH-KBPBESRZSA-N 2 2 294.399 0.749 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC2(C1)CCC[N@H+](CCF)C2 ZINC000982115709 631377462 /nfs/dbraw/zinc/37/74/62/631377462.db2.gz AMDWBDCXPZFNPU-UHFFFAOYSA-N 2 2 294.374 0.857 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC2(C1)CCC[N@@H+](CCF)C2 ZINC000982115709 631377463 /nfs/dbraw/zinc/37/74/63/631377463.db2.gz AMDWBDCXPZFNPU-UHFFFAOYSA-N 2 2 294.374 0.857 20 0 CCADLP C[C@H]1CCC[N@@H+]1CCNC(=O)NCCc1cn(C)c[nH+]1 ZINC000895292475 632048832 /nfs/dbraw/zinc/04/88/32/632048832.db2.gz WAKQRHNOBXRNEH-LBPRGKRZSA-N 2 2 279.388 0.746 20 0 CCADLP C[C@H]1CCC[N@H+]1CCNC(=O)NCCc1cn(C)c[nH+]1 ZINC000895292475 632048836 /nfs/dbraw/zinc/04/88/36/632048836.db2.gz WAKQRHNOBXRNEH-LBPRGKRZSA-N 2 2 279.388 0.746 20 0 CCADLP C[C@@H](CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)[NH+](C)C ZINC000895681597 632133173 /nfs/dbraw/zinc/13/31/73/632133173.db2.gz RXPMKGWEKDQMAI-GXFFZTMASA-N 2 2 279.388 0.856 20 0 CCADLP C[C@@H](CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)[NH+](C)C ZINC000895681597 632133183 /nfs/dbraw/zinc/13/31/83/632133183.db2.gz RXPMKGWEKDQMAI-GXFFZTMASA-N 2 2 279.388 0.856 20 0 CCADLP C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CN(C)CC[NH+]1C ZINC000896546297 632275627 /nfs/dbraw/zinc/27/56/27/632275627.db2.gz VCXOVOIBDQBJAA-LJISPDSOSA-N 2 2 296.459 0.467 20 0 CCADLP C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CN(C)CC[NH+]1C ZINC000896546297 632275629 /nfs/dbraw/zinc/27/56/29/632275629.db2.gz VCXOVOIBDQBJAA-LJISPDSOSA-N 2 2 296.459 0.467 20 0 CCADLP C[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896546297 632275633 /nfs/dbraw/zinc/27/56/33/632275633.db2.gz VCXOVOIBDQBJAA-LJISPDSOSA-N 2 2 296.459 0.467 20 0 CCADLP C[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@H]1CN(C)CC[N@H+]1C ZINC000896546297 632275637 /nfs/dbraw/zinc/27/56/37/632275637.db2.gz VCXOVOIBDQBJAA-LJISPDSOSA-N 2 2 296.459 0.467 20 0 CCADLP CCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000987349674 632860122 /nfs/dbraw/zinc/86/01/22/632860122.db2.gz WRUASCARDJKOIR-AAEUAGOBSA-N 2 2 264.373 0.952 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N1C[C@@H]([NH2+]CCO)C[C@H]1C ZINC000989046445 633141203 /nfs/dbraw/zinc/14/12/03/633141203.db2.gz NNFCKRXJMCCTMU-YPMHNXCESA-N 2 2 293.367 0.204 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000899248065 633771783 /nfs/dbraw/zinc/77/17/83/633771783.db2.gz LTQMIJPGVILQCG-TZMCWYRMSA-N 2 2 277.372 0.809 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCC[NH+](CCF)C2)C1 ZINC001008536771 650119283 /nfs/dbraw/zinc/11/92/83/650119283.db2.gz AQXPFEQSCGWJGL-OLZOCXBDSA-N 2 2 271.380 0.878 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCC[NH+](CCF)C2)C1 ZINC001008536771 650119290 /nfs/dbraw/zinc/11/92/90/650119290.db2.gz AQXPFEQSCGWJGL-OLZOCXBDSA-N 2 2 271.380 0.878 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@H+](CCF)C2)C1 ZINC001008536771 650119292 /nfs/dbraw/zinc/11/92/92/650119292.db2.gz AQXPFEQSCGWJGL-OLZOCXBDSA-N 2 2 271.380 0.878 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](CCF)C2)C1 ZINC001008536771 650119294 /nfs/dbraw/zinc/11/92/94/650119294.db2.gz AQXPFEQSCGWJGL-OLZOCXBDSA-N 2 2 271.380 0.878 20 0 CCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900283890 633982981 /nfs/dbraw/zinc/98/29/81/633982981.db2.gz MAEUEWNHKOZUTB-UXIGCNINSA-N 2 2 294.399 0.399 20 0 CCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900283890 633982991 /nfs/dbraw/zinc/98/29/91/633982991.db2.gz MAEUEWNHKOZUTB-UXIGCNINSA-N 2 2 294.399 0.399 20 0 CCADLP C[C@H]([C@H](C)NC(=O)C12CC[NH+](CC1)C2)[NH+]1CCOCC1 ZINC000900594415 634049435 /nfs/dbraw/zinc/04/94/35/634049435.db2.gz QKSJFQMZQYBNAO-QWHCGFSZSA-N 2 2 281.400 0.308 20 0 CCADLP Cc1cc(NC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)cc[nH+]1 ZINC000900672704 634067218 /nfs/dbraw/zinc/06/72/18/634067218.db2.gz PWDCGMJRYPWZJQ-AWEZNQCLSA-N 2 2 263.341 0.597 20 0 CCADLP Cc1cc(NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)cc[nH+]1 ZINC000900672704 634067223 /nfs/dbraw/zinc/06/72/23/634067223.db2.gz PWDCGMJRYPWZJQ-AWEZNQCLSA-N 2 2 263.341 0.597 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000900791858 634089106 /nfs/dbraw/zinc/08/91/06/634089106.db2.gz IRBZAJFPPFIABD-GFCCVEGCSA-N 2 2 262.357 0.897 20 0 CCADLP CS[C@@H]1CN(C(=O)CNc2cccc[nH+]2)C[C@H]1[NH+](C)C ZINC000901227055 634216334 /nfs/dbraw/zinc/21/63/34/634216334.db2.gz AJMGFHJHSUSQFU-VXGBXAGGSA-N 2 2 294.424 0.998 20 0 CCADLP COc1ncccc1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000905294243 634834588 /nfs/dbraw/zinc/83/45/88/634834588.db2.gz SSWACRIMBJVCGA-UHFFFAOYSA-N 2 2 293.371 0.635 20 0 CCADLP O=C(NCc1c[nH+]c2n1CCCC2)C12CC[NH+](CC1)C2 ZINC000908084687 635273052 /nfs/dbraw/zinc/27/30/52/635273052.db2.gz KIZRUWDUKFWZOL-UHFFFAOYSA-N 2 2 274.368 0.931 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2cncs2)C1 ZINC001010381486 650212971 /nfs/dbraw/zinc/21/29/71/650212971.db2.gz AILNMOKWPHXPIK-YPMHNXCESA-N 2 2 294.424 0.928 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2cncs2)C1 ZINC001010381486 650212972 /nfs/dbraw/zinc/21/29/72/650212972.db2.gz AILNMOKWPHXPIK-YPMHNXCESA-N 2 2 294.424 0.928 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cncs2)C1 ZINC001010381486 650212974 /nfs/dbraw/zinc/21/29/74/650212974.db2.gz AILNMOKWPHXPIK-YPMHNXCESA-N 2 2 294.424 0.928 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cncs2)C1 ZINC001010381486 650212975 /nfs/dbraw/zinc/21/29/75/650212975.db2.gz AILNMOKWPHXPIK-YPMHNXCESA-N 2 2 294.424 0.928 20 0 CCADLP [NH3+][C@H](CC(=O)NC[C@@H]([NH3+])c1ccccc1)C(F)F ZINC000911765800 636370525 /nfs/dbraw/zinc/37/05/25/636370525.db2.gz AJRGZSRZVBYTOI-NXEZZACHSA-N 2 2 257.284 0.785 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@@H](C)[NH2+]1 ZINC000911793853 636386653 /nfs/dbraw/zinc/38/66/53/636386653.db2.gz DCJMUOLTVYWXFT-IJLUTSLNSA-N 2 2 262.357 0.654 20 0 CCADLP C[C@](C[NH3+])(NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000911803164 636395711 /nfs/dbraw/zinc/39/57/11/636395711.db2.gz PHQCFQOYVYSHLP-IINYFYTJSA-N 2 2 262.357 0.689 20 0 CCADLP O=C(CNc1cccc[nH+]1)N1CC([NH+]2CCCC2)C1 ZINC000912322255 636552820 /nfs/dbraw/zinc/55/28/20/636552820.db2.gz OWIGSZOTBFQPEE-UHFFFAOYSA-N 2 2 260.341 0.800 20 0 CCADLP C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000912812015 636676890 /nfs/dbraw/zinc/67/68/90/636676890.db2.gz QOIVREAMHRQCGX-QLFBSQMISA-N 2 2 297.443 0.896 20 0 CCADLP C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000912812015 636676895 /nfs/dbraw/zinc/67/68/95/636676895.db2.gz QOIVREAMHRQCGX-QLFBSQMISA-N 2 2 297.443 0.896 20 0 CCADLP C[C@H](C(=O)N1CCC([NH+]2CCC2)CC1)[NH+]1CCN(C)CC1 ZINC000912879061 636691641 /nfs/dbraw/zinc/69/16/41/636691641.db2.gz MQFIOZWXUYIQAB-CQSZACIVSA-N 2 2 294.443 0.319 20 0 CCADLP O=C(NC12CC[NH+](CC1)C2)c1cc(-n2cc[nH+]c2)ccn1 ZINC000913631826 637384391 /nfs/dbraw/zinc/38/43/91/637384391.db2.gz DQQZTCSYTACOGH-UHFFFAOYSA-N 2 2 283.335 0.845 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@@H]([NH2+]CCO)[C@H]2C1 ZINC000992926940 637639955 /nfs/dbraw/zinc/63/99/55/637639955.db2.gz VGQUQRNNZSSTMP-MELADBBJSA-N 2 2 292.383 0.092 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@H]([NH2+]CCO)[C@@H]2C1 ZINC000992926941 637641059 /nfs/dbraw/zinc/64/10/59/637641059.db2.gz VGQUQRNNZSSTMP-MJBXVCDLSA-N 2 2 292.383 0.092 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000917224885 637960188 /nfs/dbraw/zinc/96/01/88/637960188.db2.gz XNWOBIILGNJXIV-RDBSUJKOSA-N 2 2 297.447 0.014 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000917224885 637960193 /nfs/dbraw/zinc/96/01/93/637960193.db2.gz XNWOBIILGNJXIV-RDBSUJKOSA-N 2 2 297.447 0.014 20 0 CCADLP O=C([C@H]1CCC[C@H]2CCC[N@@H+]21)N1CC[NH+](CCCO)CC1 ZINC000951628632 638202964 /nfs/dbraw/zinc/20/29/64/638202964.db2.gz XQJYZBFYVALPBA-LSDHHAIUSA-N 2 2 295.427 0.530 20 0 CCADLP O=C([C@H]1CCC[C@H]2CCC[N@H+]21)N1CC[NH+](CCCO)CC1 ZINC000951628632 638202972 /nfs/dbraw/zinc/20/29/72/638202972.db2.gz XQJYZBFYVALPBA-LSDHHAIUSA-N 2 2 295.427 0.530 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@H+](CCO)CC1(C)C ZINC000941167349 638518421 /nfs/dbraw/zinc/51/84/21/638518421.db2.gz URAUXTIQKJGNMI-CYBMUJFWSA-N 2 2 294.399 0.172 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@@H+](CCO)CC1(C)C ZINC000941167349 638518422 /nfs/dbraw/zinc/51/84/22/638518422.db2.gz URAUXTIQKJGNMI-CYBMUJFWSA-N 2 2 294.399 0.172 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1C ZINC000944446233 638769532 /nfs/dbraw/zinc/76/95/32/638769532.db2.gz STIPUUTWCFPDSX-YPMHNXCESA-N 2 2 294.399 0.470 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCCO)C[C@H]1C ZINC000944446233 638769534 /nfs/dbraw/zinc/76/95/34/638769534.db2.gz STIPUUTWCFPDSX-YPMHNXCESA-N 2 2 294.399 0.470 20 0 CCADLP CCC[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000997035766 638849471 /nfs/dbraw/zinc/84/94/71/638849471.db2.gz HNOVJCNCAQHUOW-UHFFFAOYSA-N 2 2 250.346 0.943 20 0 CCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC[C@H]([NH2+]CCF)C1 ZINC000999537676 638984704 /nfs/dbraw/zinc/98/47/04/638984704.db2.gz TXZFZUCEJLBSEO-OLZOCXBDSA-N 2 2 294.374 0.996 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001000541643 639112087 /nfs/dbraw/zinc/11/20/87/639112087.db2.gz IJXRWKVCBUUKEI-QWHCGFSZSA-N 2 2 292.383 0.569 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CCC[C@H]([NH2+]CCF)C1 ZINC001000818901 639175017 /nfs/dbraw/zinc/17/50/17/639175017.db2.gz QDTDMPQLGGJVFJ-LBPRGKRZSA-N 2 2 282.363 0.903 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](CCF)CC2)C1 ZINC001001279036 639274012 /nfs/dbraw/zinc/27/40/12/639274012.db2.gz PEWKCARYAWXJAA-CYBMUJFWSA-N 2 2 287.379 0.115 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)NCC2CC[NH+](CCF)CC2)C1 ZINC001001279036 639274016 /nfs/dbraw/zinc/27/40/16/639274016.db2.gz PEWKCARYAWXJAA-CYBMUJFWSA-N 2 2 287.379 0.115 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1C ZINC000922079877 639480369 /nfs/dbraw/zinc/48/03/69/639480369.db2.gz UKGXMRNPGBXIER-UTUOFQBUSA-N 2 2 277.372 0.590 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC[N@H+]1C ZINC000922079877 639480371 /nfs/dbraw/zinc/48/03/71/639480371.db2.gz UKGXMRNPGBXIER-UTUOFQBUSA-N 2 2 277.372 0.590 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](CCO)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001014941607 650506560 /nfs/dbraw/zinc/50/65/60/650506560.db2.gz OUMPOELXFDKVDX-LLVKDONJSA-N 2 2 274.324 0.359 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](CCO)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001014941607 650506563 /nfs/dbraw/zinc/50/65/63/650506563.db2.gz OUMPOELXFDKVDX-LLVKDONJSA-N 2 2 274.324 0.359 20 0 CCADLP CO[C@@H](C)C[NH+]1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001003701855 639597939 /nfs/dbraw/zinc/59/79/39/639597939.db2.gz YWXLOTBLBJSYFT-NSHDSACASA-N 2 2 280.372 0.568 20 0 CCADLP C[C@@H](O)[C@@H](O)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000929287339 639606172 /nfs/dbraw/zinc/60/61/72/639606172.db2.gz NHVWFISNQQBKPS-OCCSQVGLSA-N 2 2 256.390 0.678 20 0 CCADLP C[C@@H](O)[C@H](O)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000929287340 639606469 /nfs/dbraw/zinc/60/64/69/639606469.db2.gz NHVWFISNQQBKPS-TZMCWYRMSA-N 2 2 256.390 0.678 20 0 CCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H]1CC[N@H+](CCO)C1)C2 ZINC001015013288 650514543 /nfs/dbraw/zinc/51/45/43/650514543.db2.gz JKWUYBHIKKDBIC-RYUDHWBXSA-N 2 2 292.383 0.006 20 0 CCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H]1CC[N@@H+](CCO)C1)C2 ZINC001015013288 650514555 /nfs/dbraw/zinc/51/45/55/650514555.db2.gz JKWUYBHIKKDBIC-RYUDHWBXSA-N 2 2 292.383 0.006 20 0 CCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H]1CC[N@H+](CCO)C1)CC2 ZINC001015013288 650514560 /nfs/dbraw/zinc/51/45/60/650514560.db2.gz JKWUYBHIKKDBIC-RYUDHWBXSA-N 2 2 292.383 0.006 20 0 CCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H]1CC[N@@H+](CCO)C1)CC2 ZINC001015013288 650514566 /nfs/dbraw/zinc/51/45/66/650514566.db2.gz JKWUYBHIKKDBIC-RYUDHWBXSA-N 2 2 292.383 0.006 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NCc2c[nH+]cn2C)CC[N@@H+]1C ZINC000922516112 639712471 /nfs/dbraw/zinc/71/24/71/639712471.db2.gz SRAZIYBKCWMXCB-KOLCDFICSA-N 2 2 251.334 0.312 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NCc2c[nH+]cn2C)CC[N@H+]1C ZINC000922516112 639712481 /nfs/dbraw/zinc/71/24/81/639712481.db2.gz SRAZIYBKCWMXCB-KOLCDFICSA-N 2 2 251.334 0.312 20 0 CCADLP C[C@@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)[C@@H]1C[NH3+] ZINC000923288660 640071492 /nfs/dbraw/zinc/07/14/92/640071492.db2.gz MDGCXILQGQRATQ-FRRDWIJNSA-N 3 2 253.390 0.424 20 0 CCADLP C[C@@H]1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)[C@@H]1C[NH3+] ZINC000923288660 640071501 /nfs/dbraw/zinc/07/15/01/640071501.db2.gz MDGCXILQGQRATQ-FRRDWIJNSA-N 3 2 253.390 0.424 20 0 CCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCN(c3ccc(Cl)cn3)CC2)C1 ZINC000923320581 640082710 /nfs/dbraw/zinc/08/27/10/640082710.db2.gz AMBPQRKWPMBUCR-AVGNSLFASA-N 2 2 296.802 0.708 20 0 CCADLP O[C@@H](Cn1cccn1)C[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000923363918 640101653 /nfs/dbraw/zinc/10/16/53/640101653.db2.gz FEAYNTWDASZKJR-KFWWJZLASA-N 2 2 278.400 0.851 20 0 CCADLP O[C@@H](Cn1cccn1)C[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000923363918 640101661 /nfs/dbraw/zinc/10/16/61/640101661.db2.gz FEAYNTWDASZKJR-KFWWJZLASA-N 2 2 278.400 0.851 20 0 CCADLP C[C@@H]1CC[N@H+](C[C@@H](O)COC[C@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000923391245 640115843 /nfs/dbraw/zinc/11/58/43/640115843.db2.gz XNOZQRQIXCOVKJ-LXTVHRRPSA-N 2 2 286.416 0.602 20 0 CCADLP C[C@@H]1CC[N@@H+](C[C@@H](O)COC[C@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000923391245 640115852 /nfs/dbraw/zinc/11/58/52/640115852.db2.gz XNOZQRQIXCOVKJ-LXTVHRRPSA-N 2 2 286.416 0.602 20 0 CCADLP C[C@@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@](C)(C(F)F)O1 ZINC000923400447 640121964 /nfs/dbraw/zinc/12/19/64/640121964.db2.gz YONMEAZUDKAXES-UWKFXHKCSA-N 2 2 264.316 0.582 20 0 CCADLP C[C@@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@](C)(C(F)F)O1 ZINC000923400447 640121970 /nfs/dbraw/zinc/12/19/70/640121970.db2.gz YONMEAZUDKAXES-UWKFXHKCSA-N 2 2 264.316 0.582 20 0 CCADLP c1nc2n(n1)[C@@H](C[N@@H+]1CC[C@@]3(C1)CCCC[NH2+]3)CC2 ZINC000923530247 640179296 /nfs/dbraw/zinc/17/92/96/640179296.db2.gz HOMVMLSMVPQQRP-TZMCWYRMSA-N 2 2 261.373 0.983 20 0 CCADLP c1nc2n(n1)[C@@H](C[N@H+]1CC[C@@]3(C1)CCCC[NH2+]3)CC2 ZINC000923530247 640179300 /nfs/dbraw/zinc/17/93/00/640179300.db2.gz HOMVMLSMVPQQRP-TZMCWYRMSA-N 2 2 261.373 0.983 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000838899349 640279691 /nfs/dbraw/zinc/27/96/91/640279691.db2.gz UPJXEIOXSWWJRR-LBPRGKRZSA-N 2 2 250.346 0.313 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cnnn1C ZINC000820809675 641536126 /nfs/dbraw/zinc/53/61/26/641536126.db2.gz GHGHZYYJEJBHCZ-VXGBXAGGSA-N 2 2 294.403 0.053 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cnnn1C ZINC000820809675 641536131 /nfs/dbraw/zinc/53/61/31/641536131.db2.gz GHGHZYYJEJBHCZ-VXGBXAGGSA-N 2 2 294.403 0.053 20 0 CCADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001016251702 650706106 /nfs/dbraw/zinc/70/61/06/650706106.db2.gz NAFOSGSMHKYWLD-HNNXBMFYSA-N 2 2 288.395 0.868 20 0 CCADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001016251702 650706108 /nfs/dbraw/zinc/70/61/08/650706108.db2.gz NAFOSGSMHKYWLD-HNNXBMFYSA-N 2 2 288.395 0.868 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CCCCCC[NH3+] ZINC000828716264 642113724 /nfs/dbraw/zinc/11/37/24/642113724.db2.gz SUMAYHYCVFXUDM-CYBMUJFWSA-N 2 2 271.405 0.733 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)CCCCCC[NH3+] ZINC000828716264 642113725 /nfs/dbraw/zinc/11/37/25/642113725.db2.gz SUMAYHYCVFXUDM-CYBMUJFWSA-N 2 2 271.405 0.733 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](CC[C@H]2CCOC2)C1 ZINC001016397021 650725544 /nfs/dbraw/zinc/72/55/44/650725544.db2.gz IKYVNCSUMTWDKY-UONOGXRCSA-N 2 2 292.383 0.500 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC001016397021 650725547 /nfs/dbraw/zinc/72/55/47/650725547.db2.gz IKYVNCSUMTWDKY-UONOGXRCSA-N 2 2 292.383 0.500 20 0 CCADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC[NH2+]1 ZINC000829470752 642164516 /nfs/dbraw/zinc/16/45/16/642164516.db2.gz VHHMPFLWRDJMRS-CYBMUJFWSA-N 2 2 256.309 0.850 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3n[nH]c4c3C[NH2+]CC4)C[C@@H]21 ZINC000834474702 642571260 /nfs/dbraw/zinc/57/12/60/642571260.db2.gz DTRCRPJBXCOQOO-ADEWGFFLSA-N 2 2 289.383 0.255 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC12CC[NH+](CCF)CC2 ZINC001016927147 650772374 /nfs/dbraw/zinc/77/23/74/650772374.db2.gz SVXMAIKMWXUPOX-ZDUSSCGKSA-N 2 2 294.374 0.903 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C)CCO1 ZINC000842474881 642899560 /nfs/dbraw/zinc/89/95/60/642899560.db2.gz DIUPIRPTTBEFFE-MNOVXSKESA-N 2 2 257.378 0.197 20 0 CCADLP Cc1cc(F)ccc1[C@@H](O)C[NH2+]C[C@@H](O)C[NH+](C)C ZINC000843060829 642983908 /nfs/dbraw/zinc/98/39/08/642983908.db2.gz CNUBILRBCMZZTM-OCCSQVGLSA-N 2 2 270.348 0.680 20 0 CCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C[C@@H]2CCC[NH2+]2)CC1 ZINC000843067563 642986583 /nfs/dbraw/zinc/98/65/83/642986583.db2.gz ZJZPJQKUJPEYFT-CABCVRRESA-N 2 2 294.443 0.367 20 0 CCADLP Cn1c[nH+]cc1Cc1noc(CC2CC[NH2+]CC2)n1 ZINC000843200864 643012451 /nfs/dbraw/zinc/01/24/51/643012451.db2.gz TYQGBISPNKQBMI-UHFFFAOYSA-N 2 2 261.329 0.936 20 0 CCADLP [NH3+]CCCCCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000843344287 643035873 /nfs/dbraw/zinc/03/58/73/643035873.db2.gz UBUYZGDSDROYBY-KBPBESRZSA-N 3 2 255.406 0.862 20 0 CCADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)NCc2ccccn2)C1 ZINC000844224909 643186633 /nfs/dbraw/zinc/18/66/33/643186633.db2.gz VCKUOYIVNFDBHG-AWEZNQCLSA-N 2 2 262.357 0.369 20 0 CCADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)NCc2ccccn2)C1 ZINC000844224909 643186637 /nfs/dbraw/zinc/18/66/37/643186637.db2.gz VCKUOYIVNFDBHG-AWEZNQCLSA-N 2 2 262.357 0.369 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001017780793 650821257 /nfs/dbraw/zinc/82/12/57/650821257.db2.gz RYVXPLIVMAKQHN-MELADBBJSA-N 2 2 292.383 0.329 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001017780793 650821261 /nfs/dbraw/zinc/82/12/61/650821261.db2.gz RYVXPLIVMAKQHN-MELADBBJSA-N 2 2 292.383 0.329 20 0 CCADLP CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1[nH]c[nH+]c1C ZINC001018213520 650848125 /nfs/dbraw/zinc/84/81/25/650848125.db2.gz HCTJEQUEGZOWEX-TXEJJXNPSA-N 2 2 262.357 0.956 20 0 CCADLP CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1[nH]c[nH+]c1C ZINC001018213520 650848126 /nfs/dbraw/zinc/84/81/26/650848126.db2.gz HCTJEQUEGZOWEX-TXEJJXNPSA-N 2 2 262.357 0.956 20 0 CCADLP C[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000849048822 643709328 /nfs/dbraw/zinc/70/93/28/643709328.db2.gz LVXALOGTMSMELR-MQYQWHSLSA-N 2 2 298.431 0.777 20 0 CCADLP C[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000849048822 643709332 /nfs/dbraw/zinc/70/93/32/643709332.db2.gz LVXALOGTMSMELR-MQYQWHSLSA-N 2 2 298.431 0.777 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C[C@@H]([NH3+])C2CC2)[C@H](C)CO1 ZINC000852847929 644022104 /nfs/dbraw/zinc/02/21/04/644022104.db2.gz YZDYBRJWZFVJOQ-NQBHXWOUSA-N 2 2 269.389 0.339 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C[C@@H]([NH3+])C2CC2)[C@H](C)CO1 ZINC000852847929 644022111 /nfs/dbraw/zinc/02/21/11/644022111.db2.gz YZDYBRJWZFVJOQ-NQBHXWOUSA-N 2 2 269.389 0.339 20 0 CCADLP C[C@H](CCNC(=O)NCc1c[nH+]cn1C)[NH+](C)C ZINC000854067148 644173404 /nfs/dbraw/zinc/17/34/04/644173404.db2.gz RNBCDHPSIVVLOI-SNVBAGLBSA-N 2 2 253.350 0.560 20 0 CCADLP Cc1cc[nH]c1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855415385 644317081 /nfs/dbraw/zinc/31/70/81/644317081.db2.gz XCXXMFSYUDHWSZ-UHFFFAOYSA-N 2 2 266.389 0.936 20 0 CCADLP Cc1cc[nH]c1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855415385 644317087 /nfs/dbraw/zinc/31/70/87/644317087.db2.gz XCXXMFSYUDHWSZ-UHFFFAOYSA-N 2 2 266.389 0.936 20 0 CCADLP CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2nnc(C)[nH]2)C1)[NH+](C)C ZINC001019032458 650932007 /nfs/dbraw/zinc/93/20/07/650932007.db2.gz YCPUKFSEEACFOL-NWDGAFQWSA-N 2 2 294.403 0.144 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001019193259 650946251 /nfs/dbraw/zinc/94/62/51/650946251.db2.gz ZDNIATJLRCQPDC-LSDHHAIUSA-N 2 2 295.427 0.698 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001019193259 650946252 /nfs/dbraw/zinc/94/62/52/650946252.db2.gz ZDNIATJLRCQPDC-LSDHHAIUSA-N 2 2 295.427 0.698 20 0 CCADLP Cc1cc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)on1 ZINC001019436946 650973368 /nfs/dbraw/zinc/97/33/68/650973368.db2.gz AVPKUSAONCHZAM-NSHDSACASA-N 2 2 289.339 0.639 20 0 CCADLP C[C@@H](CC(=O)N1CC[C@H]([NH2+]CCF)C1)n1cc[nH+]c1 ZINC001019447310 650973971 /nfs/dbraw/zinc/97/39/71/650973971.db2.gz BWPROFWRKUXAJO-RYUDHWBXSA-N 2 2 268.336 0.994 20 0 CCADLP Cc1ccc([C@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCC2)o1 ZINC000863560895 645106919 /nfs/dbraw/zinc/10/69/19/645106919.db2.gz AZBQAHLCYYSGBH-CHWSQXEVSA-N 2 2 268.357 0.668 20 0 CCADLP FC(F)(F)c1c[nH+]ccc1NC[C@@H]1C[NH+]2CCN1CC2 ZINC000865629900 645391777 /nfs/dbraw/zinc/39/17/77/645391777.db2.gz UNBKBGNNWPFUDA-SNVBAGLBSA-N 2 2 286.301 0.934 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000866045124 645469286 /nfs/dbraw/zinc/46/92/86/645469286.db2.gz UEYHMKKICLWZNX-USWWRNFRSA-N 2 2 266.345 0.242 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000866045124 645469291 /nfs/dbraw/zinc/46/92/91/645469291.db2.gz UEYHMKKICLWZNX-USWWRNFRSA-N 2 2 266.345 0.242 20 0 CCADLP C[C@@H](CCCCO)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866412897 645527101 /nfs/dbraw/zinc/52/71/01/645527101.db2.gz NHDDDNKYWJSYLP-STQMWFEESA-N 2 2 258.406 0.972 20 0 CCADLP C[C@@H](CCCCO)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866412897 645527105 /nfs/dbraw/zinc/52/71/05/645527105.db2.gz NHDDDNKYWJSYLP-STQMWFEESA-N 2 2 258.406 0.972 20 0 CCADLP Cc1cc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)no1 ZINC000866709291 645578251 /nfs/dbraw/zinc/57/82/51/645578251.db2.gz RFVNBPHRHVSDLO-XQQFMLRXSA-N 2 2 292.339 0.350 20 0 CCADLP Cc1cc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)no1 ZINC000866709291 645578255 /nfs/dbraw/zinc/57/82/55/645578255.db2.gz RFVNBPHRHVSDLO-XQQFMLRXSA-N 2 2 292.339 0.350 20 0 CCADLP OCCC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1C[NH2+]CCO1 ZINC000866727517 645584518 /nfs/dbraw/zinc/58/45/18/645584518.db2.gz MZRGACAFSOALPN-GSPSYOTPSA-N 2 2 254.374 0.600 20 0 CCADLP OCCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1C[NH2+]CCO1 ZINC000866727517 645584523 /nfs/dbraw/zinc/58/45/23/645584523.db2.gz MZRGACAFSOALPN-GSPSYOTPSA-N 2 2 254.374 0.600 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001020312097 651058250 /nfs/dbraw/zinc/05/82/50/651058250.db2.gz AQVOEQVGPMVVJM-YVECIDJPSA-N 2 2 292.383 0.063 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[NH+]1CCOCC1 ZINC000870883110 646036564 /nfs/dbraw/zinc/03/65/64/646036564.db2.gz ZWFDOZAPCDXXEO-PFFFPCNUSA-N 2 2 281.400 0.339 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000870953769 646060774 /nfs/dbraw/zinc/06/07/74/646060774.db2.gz MGPOJXSKTUZOMI-SFDCQRBFSA-N 2 2 279.384 0.047 20 0 CCADLP c1c(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)sc2c1C[NH2+]CC2 ZINC000873210722 646357666 /nfs/dbraw/zinc/35/76/66/646357666.db2.gz PPCGWYWZGMQHPC-TXEJJXNPSA-N 2 2 280.393 0.993 20 0 CCADLP c1c(C[N@H+]2C[C@@H]3COC[C@H](C2)O3)sc2c1C[NH2+]CC2 ZINC000873210722 646357669 /nfs/dbraw/zinc/35/76/69/646357669.db2.gz PPCGWYWZGMQHPC-TXEJJXNPSA-N 2 2 280.393 0.993 20 0 CCADLP c1c(C[NH2+]C[C@@H]2C[NH2+]CCO2)sc2c1C[NH2+]CC2 ZINC000873211996 646360006 /nfs/dbraw/zinc/36/00/06/646360006.db2.gz VXIPPELYFNZOOR-NSHDSACASA-N 3 2 267.398 0.472 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876729954 646652236 /nfs/dbraw/zinc/65/22/36/646652236.db2.gz BRHPECYVXCGTII-DIABFLQPSA-N 2 2 262.357 0.944 20 0 CCADLP O=C(NCCCCn1cc[nH+]c1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876731928 646653100 /nfs/dbraw/zinc/65/31/00/646653100.db2.gz ONBNKDMBLMRLLO-NWDGAFQWSA-N 2 2 268.336 0.727 20 0 CCADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000876856774 646682804 /nfs/dbraw/zinc/68/28/04/646682804.db2.gz TZESNVSZICSACM-ZIYVKSGCSA-N 2 2 279.384 0.133 20 0 CCADLP [NH3+]C[C@@H](NC(=O)/C=C/C[NH+]1CCOCC1)C1CCCC1 ZINC000876913209 646695122 /nfs/dbraw/zinc/69/51/22/646695122.db2.gz ORZFYYYXUUPJAH-BOTMBNHJSA-N 2 2 281.400 0.509 20 0 CCADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000876935466 646701280 /nfs/dbraw/zinc/70/12/80/646701280.db2.gz QLXORCRHBIEWDR-YOUVMVQBSA-N 2 2 293.411 0.666 20 0 CCADLP Cc1cccn2cc(CC(=O)N(C)C[C@H](C)[NH3+])[nH+]c12 ZINC000877102340 646730359 /nfs/dbraw/zinc/73/03/59/646730359.db2.gz FTHGTGILVPMTMM-NSHDSACASA-N 2 2 260.341 0.991 20 0 CCADLP [NH3+]CC12CCC(CC1)N2C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000877184985 646752083 /nfs/dbraw/zinc/75/20/83/646752083.db2.gz VHNDXBGUADDVDW-XIKARTHZSA-N 2 2 274.368 0.928 20 0 CCADLP CC[C@@]1(C)COCC[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878318363 646892055 /nfs/dbraw/zinc/89/20/55/646892055.db2.gz SMLFGRBIJDWRFG-HNNXBMFYSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@@]1(C)COCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878318363 646892060 /nfs/dbraw/zinc/89/20/60/646892060.db2.gz SMLFGRBIJDWRFG-HNNXBMFYSA-N 2 2 283.416 0.698 20 0 CCADLP Cn1ncc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000878747660 646972093 /nfs/dbraw/zinc/97/20/93/646972093.db2.gz MXIZEMQIWWIART-UHFFFAOYSA-N 2 2 272.356 0.922 20 0 CCADLP Cn1ncc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000878747660 646972099 /nfs/dbraw/zinc/97/20/99/646972099.db2.gz MXIZEMQIWWIART-UHFFFAOYSA-N 2 2 272.356 0.922 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000879364548 647050173 /nfs/dbraw/zinc/05/01/73/647050173.db2.gz DHNGDNYHTCTHTO-WCQYABFASA-N 2 2 253.346 0.028 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000879364548 647050178 /nfs/dbraw/zinc/05/01/78/647050178.db2.gz DHNGDNYHTCTHTO-WCQYABFASA-N 2 2 253.346 0.028 20 0 CCADLP O=C1NCCO[C@H]2CCC[N@H+](CCCn3cc[nH+]c3)[C@H]12 ZINC000879722791 647101572 /nfs/dbraw/zinc/10/15/72/647101572.db2.gz XWLKTOFCFPOSAN-STQMWFEESA-N 2 2 278.356 0.253 20 0 CCADLP O=C1NCCO[C@H]2CCC[N@@H+](CCCn3cc[nH+]c3)[C@H]12 ZINC000879722791 647101574 /nfs/dbraw/zinc/10/15/74/647101574.db2.gz XWLKTOFCFPOSAN-STQMWFEESA-N 2 2 278.356 0.253 20 0 CCADLP C[C@H](O)C[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880252907 647175072 /nfs/dbraw/zinc/17/50/72/647175072.db2.gz GQDKBCUIUPQUSS-LBPRGKRZSA-N 2 2 269.389 0.173 20 0 CCADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](CCCCO)CC1 ZINC000880250327 647175511 /nfs/dbraw/zinc/17/55/11/647175511.db2.gz MJPCDBBQODPDQG-UHFFFAOYSA-N 2 2 283.416 0.565 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N2CC[C@H](C[NH3+])C2)c[nH+]1 ZINC000884020709 647613615 /nfs/dbraw/zinc/61/36/15/647613615.db2.gz HIEXUVHZRXZPKR-LLVKDONJSA-N 2 2 250.346 0.734 20 0 CCADLP [NH3+][C@@H](CC1CC1)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000884196927 647666085 /nfs/dbraw/zinc/66/60/85/647666085.db2.gz FWMRIOSBWWBCAQ-KGLIPLIRSA-N 2 2 281.400 0.437 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889743740 648241184 /nfs/dbraw/zinc/24/11/84/648241184.db2.gz IAQMPNKUMHPILP-CHWSQXEVSA-N 2 2 278.356 0.010 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889743740 648241187 /nfs/dbraw/zinc/24/11/87/648241187.db2.gz IAQMPNKUMHPILP-CHWSQXEVSA-N 2 2 278.356 0.010 20 0 CCADLP Cc1nonc1[C@@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000924959325 648391636 /nfs/dbraw/zinc/39/16/36/648391636.db2.gz DFMLTVJFQKKVAK-WDEREUQCSA-N 2 2 267.377 0.665 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925414931 648431886 /nfs/dbraw/zinc/43/18/86/648431886.db2.gz BLRLTZCUMHFUJJ-CHWSQXEVSA-N 2 2 284.404 0.053 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H]1CC[N@H+]1C ZINC000925414931 648431891 /nfs/dbraw/zinc/43/18/91/648431891.db2.gz BLRLTZCUMHFUJJ-CHWSQXEVSA-N 2 2 284.404 0.053 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925551375 648442898 /nfs/dbraw/zinc/44/28/98/648442898.db2.gz XMFHYVYVGZBECQ-FOLNQXHWSA-N 3 2 278.444 0.208 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000925605273 648445767 /nfs/dbraw/zinc/44/57/67/648445767.db2.gz DSPRESBHSAKCES-QJPTWQEYSA-N 2 2 275.418 0.141 20 0 CCADLP Cn1ccn2c(C[NH2+][C@H]3CCCC[C@H]3C[NH3+])nnc2c1=O ZINC000925765686 648459512 /nfs/dbraw/zinc/45/95/12/648459512.db2.gz GBVXMXNVCGHJFN-QWRGUYRKSA-N 2 2 290.371 0.035 20 0 CCADLP C[C@@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)c1c[nH+]ccc1N ZINC000925776308 648460539 /nfs/dbraw/zinc/46/05/39/648460539.db2.gz WJPKDEUZJXEDQE-SNVBAGLBSA-N 2 2 298.412 0.569 20 0 CCADLP C[C@@H]([NH2+]CCCCC[NH+]1CCNCC1)[C@@H]1CCC[NH2+]1 ZINC000925846362 648466514 /nfs/dbraw/zinc/46/65/14/648466514.db2.gz MFRXBXYCTTYXGU-CABCVRRESA-N 3 2 268.449 0.792 20 0 CCADLP Cn1nccc1[C@@H](O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925888632 648468891 /nfs/dbraw/zinc/46/88/91/648468891.db2.gz DNGSUSKQAFHSCO-RYUDHWBXSA-N 2 2 250.346 0.328 20 0 CCADLP Cn1nccc1[C@H](O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925888629 648468959 /nfs/dbraw/zinc/46/89/59/648468959.db2.gz DNGSUSKQAFHSCO-NEPJUHHUSA-N 2 2 250.346 0.328 20 0 CCADLP [NH3+][C@]1(CO)CCCN(C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000926105559 648486558 /nfs/dbraw/zinc/48/65/58/648486558.db2.gz HRFZKLMLCZPOPH-CQSZACIVSA-N 2 2 289.339 0.652 20 0 CCADLP [NH3+][C@@]1(CO)CCCN(C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000926105558 648486638 /nfs/dbraw/zinc/48/66/38/648486638.db2.gz HRFZKLMLCZPOPH-AWEZNQCLSA-N 2 2 289.339 0.652 20 0 CCADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1 ZINC000926422178 648502929 /nfs/dbraw/zinc/50/29/29/648502929.db2.gz CWELBQYJBHWPSD-RYUDHWBXSA-N 2 2 291.461 0.586 20 0 CCADLP OCc1cn(CCC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)nn1 ZINC000926439896 648503565 /nfs/dbraw/zinc/50/35/65/648503565.db2.gz LYXNDYBCRFPPJK-GJZGRUSLSA-N 2 2 293.415 0.767 20 0 CCADLP OCc1cn(CCC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)nn1 ZINC000926439896 648503567 /nfs/dbraw/zinc/50/35/67/648503567.db2.gz LYXNDYBCRFPPJK-GJZGRUSLSA-N 2 2 293.415 0.767 20 0 CCADLP C[C@H]1[C@H](C)OC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000926747741 648523401 /nfs/dbraw/zinc/52/34/01/648523401.db2.gz XRQNRHNLLPNSLC-RVMXOQNASA-N 2 2 269.389 0.339 20 0 CCADLP C[C@H]1[C@H](C)OC[C@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000926747741 648523404 /nfs/dbraw/zinc/52/34/04/648523404.db2.gz XRQNRHNLLPNSLC-RVMXOQNASA-N 2 2 269.389 0.339 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928082376 648613534 /nfs/dbraw/zinc/61/35/34/648613534.db2.gz RALJOLDMHVYZCL-NEPJUHHUSA-N 2 2 280.397 0.579 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928082376 648613539 /nfs/dbraw/zinc/61/35/39/648613539.db2.gz RALJOLDMHVYZCL-NEPJUHHUSA-N 2 2 280.397 0.579 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CCOC2CC2)CC1 ZINC000930072559 648818500 /nfs/dbraw/zinc/81/85/00/648818500.db2.gz SBWFULSUNIYXIN-CQSZACIVSA-N 2 2 281.400 0.580 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CCOC2CC2)CC1 ZINC000930072559 648818505 /nfs/dbraw/zinc/81/85/05/648818505.db2.gz SBWFULSUNIYXIN-CQSZACIVSA-N 2 2 281.400 0.580 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1nncs1 ZINC000930114950 648824615 /nfs/dbraw/zinc/82/46/15/648824615.db2.gz POJCTHFVWKAXDD-UHFFFAOYSA-N 2 2 283.445 0.996 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1nncs1 ZINC000930114950 648824621 /nfs/dbraw/zinc/82/46/21/648824621.db2.gz POJCTHFVWKAXDD-UHFFFAOYSA-N 2 2 283.445 0.996 20 0 CCADLP C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@H+]1CCCc1c[nH+]cn1C ZINC000930842416 648915736 /nfs/dbraw/zinc/91/57/36/648915736.db2.gz LDWJOTUYQWYTCL-QJPTWQEYSA-N 2 2 264.373 0.950 20 0 CCADLP C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@@H+]1CCCc1c[nH+]cn1C ZINC000930842416 648915741 /nfs/dbraw/zinc/91/57/41/648915741.db2.gz LDWJOTUYQWYTCL-QJPTWQEYSA-N 2 2 264.373 0.950 20 0 CCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H]1CCc2ncnn21 ZINC000931718805 649021234 /nfs/dbraw/zinc/02/12/34/649021234.db2.gz XEDLUOWPRIOKHJ-YNEHKIRRSA-N 2 2 261.373 0.934 20 0 CCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H]1CCc2ncnn21 ZINC000931718805 649021236 /nfs/dbraw/zinc/02/12/36/649021236.db2.gz XEDLUOWPRIOKHJ-YNEHKIRRSA-N 2 2 261.373 0.934 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@H]1CCc2ncnn21 ZINC000931718805 649021239 /nfs/dbraw/zinc/02/12/39/649021239.db2.gz XEDLUOWPRIOKHJ-YNEHKIRRSA-N 2 2 261.373 0.934 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@H]1CCc2ncnn21 ZINC000931718805 649021241 /nfs/dbraw/zinc/02/12/41/649021241.db2.gz XEDLUOWPRIOKHJ-YNEHKIRRSA-N 2 2 261.373 0.934 20 0 CCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCO[C@@H]1CCOC1 ZINC000931719784 649021753 /nfs/dbraw/zinc/02/17/53/649021753.db2.gz OIGWCPZFPHLBJE-BFHYXJOUSA-N 2 2 254.374 0.960 20 0 CCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCO[C@@H]1CCOC1 ZINC000931719784 649021757 /nfs/dbraw/zinc/02/17/57/649021757.db2.gz OIGWCPZFPHLBJE-BFHYXJOUSA-N 2 2 254.374 0.960 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCO[C@@H]1CCOC1 ZINC000931719784 649021760 /nfs/dbraw/zinc/02/17/60/649021760.db2.gz OIGWCPZFPHLBJE-BFHYXJOUSA-N 2 2 254.374 0.960 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCO[C@@H]1CCOC1 ZINC000931719784 649021763 /nfs/dbraw/zinc/02/17/63/649021763.db2.gz OIGWCPZFPHLBJE-BFHYXJOUSA-N 2 2 254.374 0.960 20 0 CCADLP C[C@H](O)C[NH+]1CCC(N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC001006472690 649524108 /nfs/dbraw/zinc/52/41/08/649524108.db2.gz JJQNAUBUEINGBX-LBPRGKRZSA-N 2 2 280.372 0.187 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCO[C@@H](C)C2)[C@@H](C)C1 ZINC000245417036 649641945 /nfs/dbraw/zinc/64/19/45/649641945.db2.gz FQWLMRXBZCFOFL-KKUMJFAQSA-N 2 2 297.443 0.896 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCO[C@@H](C)C2)[C@@H](C)C1 ZINC000245417036 649641947 /nfs/dbraw/zinc/64/19/47/649641947.db2.gz FQWLMRXBZCFOFL-KKUMJFAQSA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCO[C@@H](C)C2)[C@@H](C)C1 ZINC000245417036 649641948 /nfs/dbraw/zinc/64/19/48/649641948.db2.gz FQWLMRXBZCFOFL-KKUMJFAQSA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCO[C@@H](C)C2)[C@@H](C)C1 ZINC000245417036 649641949 /nfs/dbraw/zinc/64/19/49/649641949.db2.gz FQWLMRXBZCFOFL-KKUMJFAQSA-N 2 2 297.443 0.896 20 0 CCADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2CN2CCOC2=S)C1 ZINC000246973340 649696780 /nfs/dbraw/zinc/69/67/80/649696780.db2.gz NTMYPSCSASJIND-RYUDHWBXSA-N 2 2 269.414 0.977 20 0 CCADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2CN2CCOC2=S)C1 ZINC000246973340 649696781 /nfs/dbraw/zinc/69/67/81/649696781.db2.gz NTMYPSCSASJIND-RYUDHWBXSA-N 2 2 269.414 0.977 20 0 CCADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2CN2CCOC2=S)C1 ZINC000246973340 649696782 /nfs/dbraw/zinc/69/67/82/649696782.db2.gz NTMYPSCSASJIND-RYUDHWBXSA-N 2 2 269.414 0.977 20 0 CCADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2CN2CCOC2=S)C1 ZINC000246973340 649696783 /nfs/dbraw/zinc/69/67/83/649696783.db2.gz NTMYPSCSASJIND-RYUDHWBXSA-N 2 2 269.414 0.977 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)C1 ZINC000094341786 649741907 /nfs/dbraw/zinc/74/19/07/649741907.db2.gz YDBUWDHAKBTPKN-UPJWGTAASA-N 2 2 253.390 0.914 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)C1 ZINC000094341786 649741909 /nfs/dbraw/zinc/74/19/09/649741909.db2.gz YDBUWDHAKBTPKN-UPJWGTAASA-N 2 2 253.390 0.914 20 0 CCADLP CCOc1cc[nH+]c(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1 ZINC001164669305 719392268 /nfs/dbraw/zinc/39/22/68/719392268.db2.gz URDQDPJUYLBFEK-CHWSQXEVSA-N 2 2 263.341 1.000 20 0 CCADLP CCOc1cc[nH+]c(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1 ZINC001164669305 719392269 /nfs/dbraw/zinc/39/22/69/719392269.db2.gz URDQDPJUYLBFEK-CHWSQXEVSA-N 2 2 263.341 1.000 20 0 CCADLP COCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001266325390 790508861 /nfs/dbraw/zinc/50/88/61/790508861.db2.gz MUKDVBKAADVVPV-YNEHKIRRSA-N 2 2 292.383 0.740 20 0 CCADLP COCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001266325390 790508872 /nfs/dbraw/zinc/50/88/72/790508872.db2.gz MUKDVBKAADVVPV-YNEHKIRRSA-N 2 2 292.383 0.740 20 0 CCADLP COCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001266325390 790508882 /nfs/dbraw/zinc/50/88/82/790508882.db2.gz MUKDVBKAADVVPV-YNEHKIRRSA-N 2 2 292.383 0.740 20 0 CCADLP COCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001266325390 790508892 /nfs/dbraw/zinc/50/88/92/790508892.db2.gz MUKDVBKAADVVPV-YNEHKIRRSA-N 2 2 292.383 0.740 20 0 CCADLP c1cn2c([nH+]1)CCN(c1ncc3c(n1)C[NH2+]C3)CC2 ZINC001167182876 790681125 /nfs/dbraw/zinc/68/11/25/790681125.db2.gz ZOSRAONCIKIPCF-UHFFFAOYSA-N 2 2 256.313 0.339 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]Cc1cnns1 ZINC001167345951 790934444 /nfs/dbraw/zinc/93/44/44/790934444.db2.gz DRQPTYHNUCTCDD-UHFFFAOYSA-N 2 2 280.357 0.100 20 0 CCADLP COC[C@H](C)[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167349810 790944544 /nfs/dbraw/zinc/94/45/44/790944544.db2.gz HJBZLBCQXNMKLK-JTQLQIEISA-N 2 2 254.334 0.083 20 0 CCADLP Cn1c[nH+]cc1Nc1cc(N2CC[NH+](C)CC2)ncn1 ZINC001211244861 791060477 /nfs/dbraw/zinc/06/04/77/791060477.db2.gz GFPFHVCVVLVJGF-UHFFFAOYSA-N 2 2 273.344 0.706 20 0 CCADLP C[NH+]1CCN(C2C[NH+](Cc3c[nH]c4cccnc34)C2)CC1 ZINC001231492718 805811439 /nfs/dbraw/zinc/81/14/39/805811439.db2.gz CVUHGUJAJQIALH-UHFFFAOYSA-N 2 2 285.395 0.995 20 0 CCADLP CC[N@H+](Cc1cn(C)c(=O)n(C)c1=O)C1CC[NH+](C)CC1 ZINC001231771004 805851020 /nfs/dbraw/zinc/85/10/20/805851020.db2.gz DEVICSCXHVPXPB-UHFFFAOYSA-N 2 2 294.399 0.000 20 0 CCADLP CC[N@@H+](Cc1cn(C)c(=O)n(C)c1=O)C1CC[NH+](C)CC1 ZINC001231771004 805851027 /nfs/dbraw/zinc/85/10/27/805851027.db2.gz DEVICSCXHVPXPB-UHFFFAOYSA-N 2 2 294.399 0.000 20 0 CCADLP COC[C@H](C(=O)OC)[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001277571892 805859124 /nfs/dbraw/zinc/85/91/24/805859124.db2.gz RQQFXEQPDYPBAG-LLVKDONJSA-N 2 2 256.346 0.202 20 0 CCADLP CNC(=O)C(C)(C)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001277638491 805917062 /nfs/dbraw/zinc/91/70/62/805917062.db2.gz FHDPIONGOSBAMA-AWEZNQCLSA-N 2 2 253.390 0.929 20 0 CCADLP CNC(=O)C(C)(C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC001277638491 805917066 /nfs/dbraw/zinc/91/70/66/805917066.db2.gz FHDPIONGOSBAMA-AWEZNQCLSA-N 2 2 253.390 0.929 20 0 CCADLP CNC(=O)C(C)(C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC001277638491 805917071 /nfs/dbraw/zinc/91/70/71/805917071.db2.gz FHDPIONGOSBAMA-AWEZNQCLSA-N 2 2 253.390 0.929 20 0 CCADLP CNC(=O)C(C)(C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001277638491 805917078 /nfs/dbraw/zinc/91/70/78/805917078.db2.gz FHDPIONGOSBAMA-AWEZNQCLSA-N 2 2 253.390 0.929 20 0 CCADLP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1ccc(N)nc1 ZINC001232367288 805928485 /nfs/dbraw/zinc/92/84/85/805928485.db2.gz APXPMWMBZVDKQR-UHFFFAOYSA-N 2 2 294.399 0.981 20 0 CCADLP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccc(N)nc1 ZINC001232367288 805928487 /nfs/dbraw/zinc/92/84/87/805928487.db2.gz APXPMWMBZVDKQR-UHFFFAOYSA-N 2 2 294.399 0.981 20 0 CCADLP CCOCCC[NH+]1CC(N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001277699643 805968883 /nfs/dbraw/zinc/96/88/83/805968883.db2.gz MAQTWTUXADMPRA-UHFFFAOYSA-N 2 2 294.399 0.761 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCCC[C@H]1C[NH2+]CCF ZINC001266880948 791320018 /nfs/dbraw/zinc/32/00/18/791320018.db2.gz MPQAWECEKPJHMP-NSHDSACASA-N 2 2 268.336 0.892 20 0 CCADLP [NH3+]C[C@@H]1CCCCN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000891820034 791333237 /nfs/dbraw/zinc/33/32/37/791333237.db2.gz VFSXUPLCJJNJOD-RYUDHWBXSA-N 2 2 277.372 0.721 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC1(C[NH2+]CCF)CC1 ZINC001167528651 791510129 /nfs/dbraw/zinc/51/01/29/791510129.db2.gz DLGOKVADTFTULI-UHFFFAOYSA-N 2 2 268.336 0.798 20 0 CCADLP C[N@@H+]1CCN(C(=O)C[C@H]([NH3+])C(F)F)CCC1(C)C ZINC000724728074 793251654 /nfs/dbraw/zinc/25/16/54/793251654.db2.gz RZDVODDVKSOWPE-VIFPVBQESA-N 2 2 263.332 0.912 20 0 CCADLP C[N@H+]1CCN(C(=O)C[C@H]([NH3+])C(F)F)CCC1(C)C ZINC000724728074 793251659 /nfs/dbraw/zinc/25/16/59/793251659.db2.gz RZDVODDVKSOWPE-VIFPVBQESA-N 2 2 263.332 0.912 20 0 CCADLP c1cc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc2c1OCC2 ZINC001235052120 806353611 /nfs/dbraw/zinc/35/36/11/806353611.db2.gz MNWYCTDQXXXKTQ-MRXNPFEDSA-N 2 2 273.380 0.759 20 0 CCADLP c1cc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc2c1OCC2 ZINC001235052120 806353620 /nfs/dbraw/zinc/35/36/20/806353620.db2.gz MNWYCTDQXXXKTQ-MRXNPFEDSA-N 2 2 273.380 0.759 20 0 CCADLP CN(C[C@H]1CC[N@@H+]1CCF)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001235338251 806409649 /nfs/dbraw/zinc/40/96/49/806409649.db2.gz VXVUNIJDXSHGFA-OLZOCXBDSA-N 2 2 271.380 0.829 20 0 CCADLP CN(C[C@H]1CC[N@H+]1CCF)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001235338251 806409655 /nfs/dbraw/zinc/40/96/55/806409655.db2.gz VXVUNIJDXSHGFA-OLZOCXBDSA-N 2 2 271.380 0.829 20 0 CCADLP CC(C)OCC[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001277945853 806424661 /nfs/dbraw/zinc/42/46/61/806424661.db2.gz JNSQQLCCPVOLQE-LBPRGKRZSA-N 2 2 282.388 0.814 20 0 CCADLP [NH3+]CC[N@H+]1C[C@@H]2C(=O)N(Cc3cccc(F)c3)C[C@H]2C1 ZINC001235466803 806427362 /nfs/dbraw/zinc/42/73/62/806427362.db2.gz LKARFGAITWTYGN-OCCSQVGLSA-N 2 2 277.343 0.675 20 0 CCADLP [NH3+]CC[N@@H+]1C[C@@H]2C(=O)N(Cc3cccc(F)c3)C[C@H]2C1 ZINC001235466803 806427365 /nfs/dbraw/zinc/42/73/65/806427365.db2.gz LKARFGAITWTYGN-OCCSQVGLSA-N 2 2 277.343 0.675 20 0 CCADLP [NH3+]CC[NH+]1CCC2(CCN(C(=O)c3cccnc3)C2)CC1 ZINC001235542767 806450495 /nfs/dbraw/zinc/45/04/95/806450495.db2.gz ZWLLPTMSKCPZME-UHFFFAOYSA-N 2 2 288.395 0.968 20 0 CCADLP C[C@@H]([NH3+])C[NH+]1CCC2(CCOC[C@@H]2NC(=O)N(C)C)CC1 ZINC001235554193 806455992 /nfs/dbraw/zinc/45/59/92/806455992.db2.gz GBBDWCNTHYFGDR-OLZOCXBDSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@]2(CCN(c3cnn(C)c3)C2=O)C1 ZINC001235644812 806480739 /nfs/dbraw/zinc/48/07/39/806480739.db2.gz RLEFUBFNWRJUPI-IUODEOHRSA-N 2 2 291.399 0.586 20 0 CCADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@@]2(CCN(c3cnn(C)c3)C2=O)C1 ZINC001235644812 806480742 /nfs/dbraw/zinc/48/07/42/806480742.db2.gz RLEFUBFNWRJUPI-IUODEOHRSA-N 2 2 291.399 0.586 20 0 CCADLP CC(C)C(=O)NC1CC[NH+](C[C@@H]2C[NH2+]C(C)(C)O2)CC1 ZINC001235704947 806496670 /nfs/dbraw/zinc/49/66/70/806496670.db2.gz FPOMGBWQUDGRJS-ZDUSSCGKSA-N 2 2 283.416 0.948 20 0 CCADLP NC(=O)COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235988652 806522982 /nfs/dbraw/zinc/52/29/82/806522982.db2.gz HVUKQJYNTWNCQY-SWLSCSKDSA-N 2 2 275.352 0.474 20 0 CCADLP NC(=O)COc1ccc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235988652 806522986 /nfs/dbraw/zinc/52/29/86/806522986.db2.gz HVUKQJYNTWNCQY-SWLSCSKDSA-N 2 2 275.352 0.474 20 0 CCADLP COc1cc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cnc1F ZINC001236001475 806527830 /nfs/dbraw/zinc/52/78/30/806527830.db2.gz HNWGRMQAPJOCNL-QYJAPNMZSA-N 2 2 281.331 0.635 20 0 CCADLP COc1cc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cnc1F ZINC001236001475 806527833 /nfs/dbraw/zinc/52/78/33/806527833.db2.gz HNWGRMQAPJOCNL-QYJAPNMZSA-N 2 2 281.331 0.635 20 0 CCADLP COCC[N@H+](CC[C@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC001236336532 806568067 /nfs/dbraw/zinc/56/80/67/806568067.db2.gz YXCROHUSABYMFO-ZIAGYGMSSA-N 3 2 255.406 0.686 20 0 CCADLP COCC[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC001236336532 806568077 /nfs/dbraw/zinc/56/80/77/806568077.db2.gz YXCROHUSABYMFO-ZIAGYGMSSA-N 3 2 255.406 0.686 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)C1(O)CCCC1 ZINC001120563611 798866847 /nfs/dbraw/zinc/86/68/47/798866847.db2.gz ULOMSWLTVCSRPD-OLZOCXBDSA-N 2 2 256.390 0.726 20 0 CCADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)C1(O)CCCC1 ZINC001120563611 798866850 /nfs/dbraw/zinc/86/68/50/798866850.db2.gz ULOMSWLTVCSRPD-OLZOCXBDSA-N 2 2 256.390 0.726 20 0 CCADLP C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H](C)[NH2+]1 ZINC001121810497 799069876 /nfs/dbraw/zinc/06/98/76/799069876.db2.gz KIDLMYAFDXPFQN-UWVGGRQHSA-N 2 2 250.346 0.896 20 0 CCADLP [NH3+][C@H](Cc1ccccn1)C(=O)NCCCNc1cccc[nH+]1 ZINC001121991559 799116070 /nfs/dbraw/zinc/11/60/70/799116070.db2.gz UHDAPMBNOMANQR-CQSZACIVSA-N 2 2 299.378 0.965 20 0 CCADLP CN(C)C(=O)C[NH+]1CC2(CN(CC[NH+]3CCCCC3)C2)C1 ZINC001278147217 806717670 /nfs/dbraw/zinc/71/76/70/806717670.db2.gz VHDJWUXMLJQZKU-UHFFFAOYSA-N 2 2 294.443 0.178 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)C(C)(C)C[NH3+] ZINC001122173165 799161417 /nfs/dbraw/zinc/16/14/17/799161417.db2.gz GMWSEEISMJZFEQ-LLVKDONJSA-N 2 2 257.378 0.198 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]1CC[NH2+]C1 ZINC001122253700 799180387 /nfs/dbraw/zinc/18/03/87/799180387.db2.gz HZAYFUDZNMRSGS-STQMWFEESA-N 2 2 269.389 0.213 20 0 CCADLP C[NH+](C)Cc1nc(CNC(=O)C[NH2+]C(C)(C)C)co1 ZINC001123971232 799520289 /nfs/dbraw/zinc/52/02/89/799520289.db2.gz HIOAGSQVILYGCC-UHFFFAOYSA-N 2 2 268.361 0.741 20 0 CCADLP CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001161177079 799682707 /nfs/dbraw/zinc/68/27/07/799682707.db2.gz ZMAKPGPDIWAAFS-SCRDCRAPSA-N 3 2 291.399 0.080 20 0 CCADLP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001161177079 799682714 /nfs/dbraw/zinc/68/27/14/799682714.db2.gz ZMAKPGPDIWAAFS-SCRDCRAPSA-N 3 2 291.399 0.080 20 0 CCADLP CN(C)c1ncc(C[N@H+]2CCc3[nH+]ccn3CC2)cn1 ZINC001138351727 799723206 /nfs/dbraw/zinc/72/32/06/799723206.db2.gz ZJLCZIIIMZNPGB-UHFFFAOYSA-N 2 2 272.356 0.797 20 0 CCADLP CN(C)c1ncc(C[N@@H+]2CCc3[nH+]ccn3CC2)cn1 ZINC001138351727 799723208 /nfs/dbraw/zinc/72/32/08/799723208.db2.gz ZJLCZIIIMZNPGB-UHFFFAOYSA-N 2 2 272.356 0.797 20 0 CCADLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1cnc(N)s1 ZINC001139231514 799797322 /nfs/dbraw/zinc/79/73/22/799797322.db2.gz UCMLBXORNIORCK-UHFFFAOYSA-N 2 2 269.418 0.405 20 0 CCADLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cnc(N)s1 ZINC001139231514 799797328 /nfs/dbraw/zinc/79/73/28/799797328.db2.gz UCMLBXORNIORCK-UHFFFAOYSA-N 2 2 269.418 0.405 20 0 CCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@@H](CO)C3)s2)CC1 ZINC001139324500 799803100 /nfs/dbraw/zinc/80/31/00/799803100.db2.gz CWNJQUSPHMNHTG-GFCCVEGCSA-N 2 2 296.440 0.709 20 0 CCADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3cnn(CCOC)c3)C[C@@H]2C1 ZINC001139782925 799843023 /nfs/dbraw/zinc/84/30/23/799843023.db2.gz FAPCWWJIDGNLBV-GASCZTMLSA-N 2 2 278.400 0.913 20 0 CCADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cnn(CCOC)c3)C[C@@H]2C1 ZINC001139782925 799843031 /nfs/dbraw/zinc/84/30/31/799843031.db2.gz FAPCWWJIDGNLBV-GASCZTMLSA-N 2 2 278.400 0.913 20 0 CCADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cnn(CCOC)c3)C[C@@H]2C1 ZINC001139782925 799843038 /nfs/dbraw/zinc/84/30/38/799843038.db2.gz FAPCWWJIDGNLBV-GASCZTMLSA-N 2 2 278.400 0.913 20 0 CCADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3cnn(CCOC)c3)C[C@@H]2C1 ZINC001139782925 799843042 /nfs/dbraw/zinc/84/30/42/799843042.db2.gz FAPCWWJIDGNLBV-GASCZTMLSA-N 2 2 278.400 0.913 20 0 CCADLP CCOCC[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001203057918 799932120 /nfs/dbraw/zinc/93/21/20/799932120.db2.gz CMYHOOPOZFDYDZ-UHFFFAOYSA-N 2 2 280.372 0.569 20 0 CCADLP [NH3+]C[C@@H]1CCCC[N@H+](Cc2cn3c(n2)COCC3)C1 ZINC001206622825 799943470 /nfs/dbraw/zinc/94/34/70/799943470.db2.gz HGSQHYPTCLVIDV-LBPRGKRZSA-N 2 2 264.373 0.974 20 0 CCADLP [NH3+]C[C@@H]1CCCC[N@@H+](Cc2cn3c(n2)COCC3)C1 ZINC001206622825 799943478 /nfs/dbraw/zinc/94/34/78/799943478.db2.gz HGSQHYPTCLVIDV-LBPRGKRZSA-N 2 2 264.373 0.974 20 0 CCADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ncco1 ZINC001141007960 799971672 /nfs/dbraw/zinc/97/16/72/799971672.db2.gz HTGKXAPAZADKIB-QWHCGFSZSA-N 2 2 264.373 0.885 20 0 CCADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ncco1 ZINC001141007960 799971679 /nfs/dbraw/zinc/97/16/79/799971679.db2.gz HTGKXAPAZADKIB-QWHCGFSZSA-N 2 2 264.373 0.885 20 0 CCADLP C[NH+]1CCN(C(=O)N2CCC[C@]3(C2)C[N@H+](C)CCO3)CC1 ZINC001278271196 806800693 /nfs/dbraw/zinc/80/06/93/806800693.db2.gz ZPUTWGJNNKHUPH-OAHLLOKOSA-N 2 2 296.415 0.150 20 0 CCADLP C[NH+]1CCN(C(=O)N2CCC[C@]3(C2)C[N@@H+](C)CCO3)CC1 ZINC001278271196 806800699 /nfs/dbraw/zinc/80/06/99/806800699.db2.gz ZPUTWGJNNKHUPH-OAHLLOKOSA-N 2 2 296.415 0.150 20 0 CCADLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(Cl)nn1 ZINC001142073204 800064590 /nfs/dbraw/zinc/06/45/90/800064590.db2.gz GMNLOYGHUWZUMT-UHFFFAOYSA-N 2 2 283.807 0.809 20 0 CCADLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc(Cl)nn1 ZINC001142073204 800064598 /nfs/dbraw/zinc/06/45/98/800064598.db2.gz GMNLOYGHUWZUMT-UHFFFAOYSA-N 2 2 283.807 0.809 20 0 CCADLP CC(C)OCC[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149570801 800277304 /nfs/dbraw/zinc/27/73/04/800277304.db2.gz AIVQLUFIXHOAAK-UHFFFAOYSA-N 2 2 282.388 0.484 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2C)co1 ZINC001151115703 800400885 /nfs/dbraw/zinc/40/08/85/800400885.db2.gz ZSPOZIDUCHYJTP-UHFFFAOYSA-N 2 2 277.328 0.394 20 0 CCADLP COc1cc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2C)on1 ZINC001151121352 800401042 /nfs/dbraw/zinc/40/10/42/800401042.db2.gz GFELJFFTFAKFAF-UHFFFAOYSA-N 2 2 293.327 0.094 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[NH2+][C@H](C)c1cnccn1 ZINC001151115644 800401099 /nfs/dbraw/zinc/40/10/99/800401099.db2.gz ZIJIGWWSLKJEGU-LLVKDONJSA-N 2 2 288.355 0.449 20 0 CCADLP CO[C@@H](C)C[NH2+]CCNC(=O)CCCn1cc[nH+]c1 ZINC001153345453 800624484 /nfs/dbraw/zinc/62/44/84/800624484.db2.gz VXKHNKJJLYPANK-LBPRGKRZSA-N 2 2 268.361 0.404 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]Cc1ccns1 ZINC001153495184 800635424 /nfs/dbraw/zinc/63/54/24/800635424.db2.gz FDRGXULELGQBHO-UHFFFAOYSA-N 2 2 265.342 0.246 20 0 CCADLP C[NH+]1CCN(c2cccc(NCc3ncon3)[nH+]2)CC1 ZINC001154897079 800864031 /nfs/dbraw/zinc/86/40/31/800864031.db2.gz QYUOGURFQQIPNC-UHFFFAOYSA-N 2 2 274.328 0.829 20 0 CCADLP COC(=O)c1cnc(-n2c[nH+]cc2C2CC[NH2+]CC2)nc1 ZINC001155052903 800899269 /nfs/dbraw/zinc/89/92/69/800899269.db2.gz HTOPLUBANWZKEP-UHFFFAOYSA-N 2 2 287.323 0.916 20 0 CCADLP CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155521599 800997676 /nfs/dbraw/zinc/99/76/76/800997676.db2.gz LPFZAGUXUXDODS-NWDGAFQWSA-N 2 2 295.387 0.146 20 0 CCADLP CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155521599 800997679 /nfs/dbraw/zinc/99/76/79/800997679.db2.gz LPFZAGUXUXDODS-NWDGAFQWSA-N 2 2 295.387 0.146 20 0 CCADLP Cc1nc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)c(C)c(C)[nH+]1 ZINC001155582095 801016675 /nfs/dbraw/zinc/01/66/75/801016675.db2.gz YREIFDRCZLIYFW-GXFFZTMASA-N 2 2 261.329 0.392 20 0 CCADLP Cc1nc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)c2c([nH+]1)CCC2 ZINC001155638223 801027837 /nfs/dbraw/zinc/02/78/37/801027837.db2.gz IFIPONIOBWYNLP-AGIUHOORSA-N 2 2 260.341 0.815 20 0 CCADLP CC[N@H+](CCCO)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001155750993 801047955 /nfs/dbraw/zinc/04/79/55/801047955.db2.gz CTQLPBQCDARMIK-QWHCGFSZSA-N 2 2 296.415 0.797 20 0 CCADLP CC[N@@H+](CCCO)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001155750993 801047961 /nfs/dbraw/zinc/04/79/61/801047961.db2.gz CTQLPBQCDARMIK-QWHCGFSZSA-N 2 2 296.415 0.797 20 0 CCADLP CC[N@H+](CCCO)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001155750993 801047966 /nfs/dbraw/zinc/04/79/66/801047966.db2.gz CTQLPBQCDARMIK-QWHCGFSZSA-N 2 2 296.415 0.797 20 0 CCADLP CC[N@@H+](CCCO)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001155750993 801047971 /nfs/dbraw/zinc/04/79/71/801047971.db2.gz CTQLPBQCDARMIK-QWHCGFSZSA-N 2 2 296.415 0.797 20 0 CCADLP CN1C[C@@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)CCC1=O ZINC001156568930 801188414 /nfs/dbraw/zinc/18/84/14/801188414.db2.gz ZIVFFFGDUJVIPN-LBPRGKRZSA-N 2 2 289.383 0.524 20 0 CCADLP C[C@H](NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)[C@@H]1CCCO1 ZINC001157433711 801380859 /nfs/dbraw/zinc/38/08/59/801380859.db2.gz LDUSAYXJEAUCAF-BPNCWPANSA-N 2 2 277.368 0.942 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])[C@H](c2ccccc2)C1 ZINC001157496493 801401954 /nfs/dbraw/zinc/40/19/54/801401954.db2.gz VRBSXIJJGKTNNT-GJZGRUSLSA-N 3 2 290.411 0.568 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])[C@H](c2ccccc2)C1 ZINC001157496493 801401958 /nfs/dbraw/zinc/40/19/58/801401958.db2.gz VRBSXIJJGKTNNT-GJZGRUSLSA-N 3 2 290.411 0.568 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC2(C1)CC(F)(F)C2 ZINC001157522298 801405235 /nfs/dbraw/zinc/40/52/35/801405235.db2.gz QKXKENZRWZUCPK-VIFPVBQESA-N 2 2 270.283 0.537 20 0 CCADLP CN(C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)C1CC(F)(F)C1 ZINC001157564465 801420970 /nfs/dbraw/zinc/42/09/70/801420970.db2.gz KVXFYNJOKYTIKS-SECBINFHSA-N 2 2 258.272 0.536 20 0 CCADLP CN(C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)C1CC(F)(F)C1 ZINC001157564323 801421463 /nfs/dbraw/zinc/42/14/63/801421463.db2.gz JISVFQISYIIOPJ-QPUJVOFHSA-N 2 2 259.300 0.194 20 0 CCADLP [NH3+]C[C@@]1(F)CCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001157808392 801491885 /nfs/dbraw/zinc/49/18/85/801491885.db2.gz FUFYTGQVRWDTFX-ZDUSSCGKSA-N 2 2 281.335 0.190 20 0 CCADLP [NH3+]C[C@@]1(F)CCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001157808392 801491889 /nfs/dbraw/zinc/49/18/89/801491889.db2.gz FUFYTGQVRWDTFX-ZDUSSCGKSA-N 2 2 281.335 0.190 20 0 CCADLP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001157846336 801501320 /nfs/dbraw/zinc/50/13/20/801501320.db2.gz GZTLXRPJVKMUSV-DFBGVHRSSA-N 3 2 290.411 0.845 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cc(Cl)nc(N)n2)CC1 ZINC001157910299 801517046 /nfs/dbraw/zinc/51/70/46/801517046.db2.gz BARNTZDEOYNLQF-UHFFFAOYSA-N 2 2 269.740 0.306 20 0 CCADLP COc1cc(NC(=[NH2+])N2CC[NH+](C)CC2)nc(C)n1 ZINC001157915121 801518504 /nfs/dbraw/zinc/51/85/04/801518504.db2.gz QHPBOCZYBPDZDK-UHFFFAOYSA-N 2 2 264.333 0.388 20 0 CCADLP CCNC(=O)c1cccnc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001157915862 801520856 /nfs/dbraw/zinc/52/08/56/801520856.db2.gz YEKULHRFNZLHEG-UHFFFAOYSA-N 2 2 290.371 0.425 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2nc(Cl)nc3c2COC3)CC1 ZINC001157915180 801520955 /nfs/dbraw/zinc/52/09/55/801520955.db2.gz TVHUWSMIWXTXGP-UHFFFAOYSA-N 2 2 296.762 0.754 20 0 CCADLP C[C@]1(F)CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C[C@H]1F ZINC001157923489 801521916 /nfs/dbraw/zinc/52/19/16/801521916.db2.gz DXMLNAXOBSQZEE-ONYIWYLUSA-N 2 2 273.327 0.235 20 0 CCADLP CC1(C)CN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)[C@@](C)(CO)C1 ZINC001157923466 801522976 /nfs/dbraw/zinc/52/29/76/801522976.db2.gz DMUJYAVYXXZWHY-BXUZGUMPSA-N 2 2 280.372 0.289 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC(C)(C)C[C@]1(C)CO ZINC001157926804 801524023 /nfs/dbraw/zinc/52/40/23/801524023.db2.gz SIDDLMSORVONEG-SWLSCSKDSA-N 2 2 294.399 0.299 20 0 CCADLP Cn1ccc2c1ncnc2-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158204255 801592269 /nfs/dbraw/zinc/59/22/69/801592269.db2.gz PHIXILIUPPHDMZ-SECBINFHSA-N 2 2 272.312 0.016 20 0 CCADLP CCOC(=O)c1cccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158204599 801592285 /nfs/dbraw/zinc/59/22/85/801592285.db2.gz RUGJFKIMUCWEMI-SNVBAGLBSA-N 2 2 290.323 0.306 20 0 CCADLP C=C(OCC)c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nn1 ZINC001158204929 801593289 /nfs/dbraw/zinc/59/32/89/801593289.db2.gz WCNLIWCSDCWNBB-LLVKDONJSA-N 2 2 289.339 0.532 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nccc2cnccc21 ZINC001158206310 801594496 /nfs/dbraw/zinc/59/44/96/801594496.db2.gz IYUDABFHFSCVFA-LLVKDONJSA-N 2 2 269.308 0.678 20 0 CCADLP C[NH+](C)Cc1ccnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1 ZINC001158209548 801597403 /nfs/dbraw/zinc/59/74/03/801597403.db2.gz XVKWXUXMIHZLMP-GFCCVEGCSA-N 3 2 275.356 0.191 20 0 CCADLP CCOc1ccc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)nn1 ZINC001158258537 801606879 /nfs/dbraw/zinc/60/68/79/801606879.db2.gz BSZIMFMADTVNCD-GFCCVEGCSA-N 2 2 291.399 0.877 20 0 CCADLP CCOc1ccc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)nn1 ZINC001158258537 801606883 /nfs/dbraw/zinc/60/68/83/801606883.db2.gz BSZIMFMADTVNCD-GFCCVEGCSA-N 2 2 291.399 0.877 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@](C)([NH3+])CC(C)C)CC1 ZINC001158603076 801670157 /nfs/dbraw/zinc/67/01/57/801670157.db2.gz FAICVKBBVHYLBL-CQSZACIVSA-N 2 2 271.405 0.541 20 0 CCADLP Cn1cncc1C[N@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001204387671 801718481 /nfs/dbraw/zinc/71/84/81/801718481.db2.gz UMPZKDCWNQPYAA-UHFFFAOYSA-N 2 2 279.388 0.016 20 0 CCADLP Cn1cncc1C[N@@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001204387671 801718485 /nfs/dbraw/zinc/71/84/85/801718485.db2.gz UMPZKDCWNQPYAA-UHFFFAOYSA-N 2 2 279.388 0.016 20 0 CCADLP c1cc(NC[C@@H]2COCC[NH2+]2)[nH+]c(N2CCOCC2)c1 ZINC001159043957 801748179 /nfs/dbraw/zinc/74/81/79/801748179.db2.gz LBLNJRPMCDVEDN-GFCCVEGCSA-N 2 2 278.356 0.319 20 0 CCADLP CCOC(=O)Cc1cc[nH+]c(N[C@H](C)[C@@H]2C[NH2+]CCO2)c1 ZINC001159500494 801824096 /nfs/dbraw/zinc/82/40/96/801824096.db2.gz DCJSDJAVQCTYFW-YPMHNXCESA-N 2 2 293.367 0.976 20 0 CCADLP Cc1oncc1C[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159536887 801832028 /nfs/dbraw/zinc/83/20/28/801832028.db2.gz BSXITBNLGQAOAG-UHFFFAOYSA-N 2 2 291.355 0.935 20 0 CCADLP Cc1oncc1C[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159536887 801832036 /nfs/dbraw/zinc/83/20/36/801832036.db2.gz BSXITBNLGQAOAG-UHFFFAOYSA-N 2 2 291.355 0.935 20 0 CCADLP CC(C)OCC[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159540193 801832449 /nfs/dbraw/zinc/83/24/49/801832449.db2.gz JKSWHXFTYWTAEX-UHFFFAOYSA-N 2 2 282.388 0.863 20 0 CCADLP CC(C)OCC[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159540193 801832454 /nfs/dbraw/zinc/83/24/54/801832454.db2.gz JKSWHXFTYWTAEX-UHFFFAOYSA-N 2 2 282.388 0.863 20 0 CCADLP C[C@@H]1CCCN(c2cc(N[C@H]3C[NH2+]C[C@@H]3CO)nc[nH+]2)C1 ZINC001159680322 801850058 /nfs/dbraw/zinc/85/00/58/801850058.db2.gz HJPNPBQQZYSGFT-UPJWGTAASA-N 2 2 291.399 0.705 20 0 CCADLP CC[NH+](CC)C1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001160482745 801948736 /nfs/dbraw/zinc/94/87/36/801948736.db2.gz KRNOJJDZUKYNHZ-BBRMVZONSA-N 3 2 294.443 0.271 20 0 CCADLP CCOC(=O)[C@H]1CCCCN1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001160583117 801975446 /nfs/dbraw/zinc/97/54/46/801975446.db2.gz VAPKXHOYGBALPY-LLVKDONJSA-N 2 2 283.372 0.012 20 0 CCADLP CN(CCc1ccc(F)cc1)C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001160597675 801979116 /nfs/dbraw/zinc/97/91/16/801979116.db2.gz WVZGTYRLMAEIMH-UHFFFAOYSA-N 2 2 279.359 0.908 20 0 CCADLP CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001160680712 801999039 /nfs/dbraw/zinc/99/90/39/801999039.db2.gz QPSQGXWLEJNOAA-LLVKDONJSA-N 2 2 296.371 0.470 20 0 CCADLP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001160689516 802001955 /nfs/dbraw/zinc/00/19/55/802001955.db2.gz NUZSRAFSTWCPQV-STQMWFEESA-N 3 2 293.415 0.833 20 0 CCADLP CN(C[C@@H]1CC1(C)C)C(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001160710025 802008254 /nfs/dbraw/zinc/00/82/54/802008254.db2.gz KKFPJFZFUYKQFO-AAEUAGOBSA-N 2 2 282.432 0.241 20 0 CCADLP COC(=O)C[C@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001160832144 802023071 /nfs/dbraw/zinc/02/30/71/802023071.db2.gz FZCBFPRWWLRLMB-PWSUYJOCSA-N 2 2 294.355 0.081 20 0 CCADLP [NH3+]C1(C(=O)N2CC[N@@H+]3CCc4ccccc4[C@@H]3C2)CC1 ZINC001160850177 802031783 /nfs/dbraw/zinc/03/17/83/802031783.db2.gz YHMQTJFAIXPQEK-AWEZNQCLSA-N 2 2 271.364 0.919 20 0 CCADLP [NH3+]C1(C(=O)N2CC[N@H+]3CCc4ccccc4[C@@H]3C2)CC1 ZINC001160850177 802031790 /nfs/dbraw/zinc/03/17/90/802031790.db2.gz YHMQTJFAIXPQEK-AWEZNQCLSA-N 2 2 271.364 0.919 20 0 CCADLP O=C(N1CCC[C@@H]1c1ccccn1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160936367 802049631 /nfs/dbraw/zinc/04/96/31/802049631.db2.gz VVKHQKPOPQLATR-BJJXKVORSA-N 2 2 286.379 0.697 20 0 CCADLP COC(=O)[C@@H]([NH3+])CC(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001160991472 802057354 /nfs/dbraw/zinc/05/73/54/802057354.db2.gz DOPCEALXILHNME-LBPRGKRZSA-N 2 2 297.399 0.211 20 0 CCADLP CNC(=O)C[NH+]1CCC(Nc2[nH+]cc(C)cc2N)CC1 ZINC001161139916 802099932 /nfs/dbraw/zinc/09/99/32/802099932.db2.gz PXKHOVAOIPMSFX-UHFFFAOYSA-N 2 2 277.372 0.595 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N(Cc1cc[nH]n1)Cc1ccccc1 ZINC001161165069 802103691 /nfs/dbraw/zinc/10/36/91/802103691.db2.gz IDCIXRQPUOSLHW-GJZGRUSLSA-N 2 2 299.378 0.485 20 0 CCADLP O=C(NCCC[NH2+]CCCF)[C@@H]1CCn2cc[nH+]c2C1 ZINC001161314563 802124160 /nfs/dbraw/zinc/12/41/60/802124160.db2.gz CTVAULTVUHHIHZ-GFCCVEGCSA-N 2 2 282.363 0.901 20 0 CCADLP [NH3+]C1(C(=O)N(C2CCC2)C2CCOCC2)CC[NH2+]CC1 ZINC001161460347 802156524 /nfs/dbraw/zinc/15/65/24/802156524.db2.gz JCXQSSDKEOJMLS-UHFFFAOYSA-N 2 2 281.400 0.627 20 0 CCADLP CN(C)c1cc(NC2CCN([C@@H]3CC[NH2+]C3)CC2)[nH+]cn1 ZINC001161463702 802158616 /nfs/dbraw/zinc/15/86/16/802158616.db2.gz NXLOYAMIUKJKRY-CYBMUJFWSA-N 2 2 290.415 0.781 20 0 CCADLP CN(C)c1cc(NC2CCN([C@@H]3CC[NH2+]C3)CC2)nc[nH+]1 ZINC001161463702 802158620 /nfs/dbraw/zinc/15/86/20/802158620.db2.gz NXLOYAMIUKJKRY-CYBMUJFWSA-N 2 2 290.415 0.781 20 0 CCADLP C[NH2+]CCC(=O)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001161471018 802159406 /nfs/dbraw/zinc/15/94/06/802159406.db2.gz LXQCQQGUBXQYKY-NSHDSACASA-N 2 2 275.343 0.928 20 0 CCADLP C[C@@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001161472809 802159715 /nfs/dbraw/zinc/15/97/15/802159715.db2.gz ZKAQSDLEZVDTKQ-ZJUUUORDSA-N 2 2 261.316 0.666 20 0 CCADLP C[C@@]1(C[NH3+])CCCN(C(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)C1 ZINC001161486774 802162138 /nfs/dbraw/zinc/16/21/38/802162138.db2.gz AWPKUSHBVAKOCN-HOCLYGCPSA-N 3 2 290.411 0.846 20 0 CCADLP NC(=O)c1ncc(Cl)nc1NCC[NH+]1CCC([NH3+])CC1 ZINC001161867907 802234259 /nfs/dbraw/zinc/23/42/59/802234259.db2.gz VWVAGXMYRAQECZ-UHFFFAOYSA-N 2 2 298.778 0.064 20 0 CCADLP C[C@@H](CN1CC[NH2+]CC1)Nc1nc2[nH]ccc2c[nH+]1 ZINC001162093061 802274507 /nfs/dbraw/zinc/27/45/07/802274507.db2.gz CYEMVRCHUHCZAI-JTQLQIEISA-N 2 2 260.345 0.615 20 0 CCADLP CCCNc1cc(C)[nH+]c(N[C@@H]2COC[C@@H]2[NH3+])n1 ZINC001162912953 802434115 /nfs/dbraw/zinc/43/41/15/802434115.db2.gz BNSLYRYWFZQWMW-VHSXEESVSA-N 2 2 251.334 0.745 20 0 CCADLP Cc1cc(C)c(C(=O)NCCC[NH2+]CCO)c(C)[nH+]1 ZINC001162916864 802435794 /nfs/dbraw/zinc/43/57/94/802435794.db2.gz APNWCSDLZHFWDW-UHFFFAOYSA-N 2 2 265.357 0.709 20 0 CCADLP O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ccc(Cn3cc[nH+]c3)cc2)N1 ZINC001163252217 802519606 /nfs/dbraw/zinc/51/96/06/802519606.db2.gz UPWKKRYLNUJXSN-HOCLYGCPSA-N 2 2 297.362 0.921 20 0 CCADLP CC[NH2+]CCCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001163283408 802527500 /nfs/dbraw/zinc/52/75/00/802527500.db2.gz NOPJNMFLIBSFEO-AWEZNQCLSA-N 2 2 283.416 0.603 20 0 CCADLP CC[NH2+]CCCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001163283408 802527502 /nfs/dbraw/zinc/52/75/02/802527502.db2.gz NOPJNMFLIBSFEO-AWEZNQCLSA-N 2 2 283.416 0.603 20 0 CCADLP c1cn(Cc2ccc(N[C@H]3C[NH2+][C@@H]4CCO[C@@H]43)nc2)c[nH+]1 ZINC001163337668 802536867 /nfs/dbraw/zinc/53/68/67/802536867.db2.gz VQRZNBLNZGDSEI-IPYPFGDCSA-N 2 2 285.351 0.868 20 0 CCADLP Cc1nonc1C[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163589167 802572616 /nfs/dbraw/zinc/57/26/16/802572616.db2.gz WHHAASWPFLUMAF-UHFFFAOYSA-N 2 2 292.343 0.261 20 0 CCADLP CC[C@H](C[NH2+]CCCNC(=O)CCn1cc[nH+]c1)OC ZINC001163593312 802573974 /nfs/dbraw/zinc/57/39/74/802573974.db2.gz GTFGEXBKQBEPAQ-CYBMUJFWSA-N 2 2 282.388 0.794 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCC[NH2+]CC[C@@H]1CCCO1 ZINC001163593998 802574012 /nfs/dbraw/zinc/57/40/12/802574012.db2.gz QOFGZOXWQZWYBO-AWEZNQCLSA-N 2 2 294.399 0.938 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCC[NH2+]C[C@@H]1CCCOC1 ZINC001163593945 802574474 /nfs/dbraw/zinc/57/44/74/802574474.db2.gz OHTMFPIRZJVKAW-AWEZNQCLSA-N 2 2 294.399 0.796 20 0 CCADLP COc1[nH+]cc2cc[nH]c2c1N(CC[NH3+])CCO ZINC001163837065 802622820 /nfs/dbraw/zinc/62/28/20/802622820.db2.gz POCDKKQUJKNFFN-UHFFFAOYSA-N 2 2 250.302 0.329 20 0 CCADLP Cc1cc(N2CCOCC2)[nH+]cc1NOCC[NH3+] ZINC001164428329 802740091 /nfs/dbraw/zinc/74/00/91/802740091.db2.gz AVUBVUJUKIIFQP-UHFFFAOYSA-N 2 2 252.318 0.529 20 0 CCADLP Nc1cc[nH+]c(N2CC[NH+](CC(=O)N3CCCC3)CC2)c1 ZINC001165057957 802779100 /nfs/dbraw/zinc/77/91/00/802779100.db2.gz NWULCBGIOUHLQD-UHFFFAOYSA-N 2 2 289.383 0.408 20 0 CCADLP COc1cc[nH+]c(N2CC([N@H+](C)[C@@H]3CCOC3)C2)c1 ZINC001165204007 802795058 /nfs/dbraw/zinc/79/50/58/802795058.db2.gz QMOZIFPHGYFDLW-LLVKDONJSA-N 2 2 263.341 1.000 20 0 CCADLP COc1cc[nH+]c(N2CC([N@@H+](C)[C@@H]3CCOC3)C2)c1 ZINC001165204007 802795062 /nfs/dbraw/zinc/79/50/62/802795062.db2.gz QMOZIFPHGYFDLW-LLVKDONJSA-N 2 2 263.341 1.000 20 0 CCADLP C[NH+]1CCN(c2cccc(N3CC[C@](C)(O)C3)[nH+]2)CC1 ZINC001165230391 802800950 /nfs/dbraw/zinc/80/09/50/802800950.db2.gz YKWRPHCSLYWUBC-HNNXBMFYSA-N 2 2 276.384 0.795 20 0 CCADLP Cc1nc(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)c2c([nH+]1)CCC2 ZINC001165283541 802812964 /nfs/dbraw/zinc/81/29/64/802812964.db2.gz ZGTYEWOUQOPLSI-ABAIWWIYSA-N 2 2 274.368 0.292 20 0 CCADLP COC(=O)C1([NH3+])CCN(c2[nH+]cnc3c2ccn3C)CC1 ZINC001166795499 802961830 /nfs/dbraw/zinc/96/18/30/802961830.db2.gz URIJAXCXMYBDES-UHFFFAOYSA-N 2 2 289.339 0.439 20 0 CCADLP COC(=O)C1([NH3+])CCN(c2nc(C)[nH+]c3c2CCC3)CC1 ZINC001166797635 802962530 /nfs/dbraw/zinc/96/25/30/802962530.db2.gz UFDNIQDGPVBDMS-UHFFFAOYSA-N 2 2 290.367 0.744 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc[nH]2)C1 ZINC001204010984 803060010 /nfs/dbraw/zinc/06/00/10/803060010.db2.gz UMXUJBFNQSXZME-CYBMUJFWSA-N 2 2 264.373 0.657 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc[nH]2)C1 ZINC001204010984 803060017 /nfs/dbraw/zinc/06/00/17/803060017.db2.gz UMXUJBFNQSXZME-CYBMUJFWSA-N 2 2 264.373 0.657 20 0 CCADLP CO[C@H](C)C[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001204076860 803062571 /nfs/dbraw/zinc/06/25/71/803062571.db2.gz XDBOSKRCZBYVBB-GFCCVEGCSA-N 2 2 280.372 0.499 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2ccc(F)nc2)C1 ZINC001205674050 803154571 /nfs/dbraw/zinc/15/45/71/803154571.db2.gz YGZJHLYBTQZBJT-CYBMUJFWSA-N 2 2 253.321 0.896 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccc(F)nc2)C1 ZINC001205674050 803154577 /nfs/dbraw/zinc/15/45/77/803154577.db2.gz YGZJHLYBTQZBJT-CYBMUJFWSA-N 2 2 253.321 0.896 20 0 CCADLP [NH3+]C[C@@H]1CN(CC2=CS[C@@H]([NH3+])N2)CCC1(F)F ZINC001205735565 803168657 /nfs/dbraw/zinc/16/86/57/803168657.db2.gz OBQXYEHXVZYQOX-APPZFPTMSA-N 2 2 264.345 0.322 20 0 CCADLP C[C@@H]1C[N@H+](Cc2cccc(CN3CC[NH2+]CC3)c2)C[C@H]1[NH3+] ZINC001206058755 803199483 /nfs/dbraw/zinc/19/94/83/803199483.db2.gz PHFKQYHBFXCWIE-RHSMWYFYSA-N 3 2 288.439 0.871 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2cccc(CN3CC[NH2+]CC3)c2)C[C@H]1[NH3+] ZINC001206058755 803199489 /nfs/dbraw/zinc/19/94/89/803199489.db2.gz PHFKQYHBFXCWIE-RHSMWYFYSA-N 3 2 288.439 0.871 20 0 CCADLP CCCCc1[nH]c(CN2CC[C@@H](O)[C@H]([NH3+])C2)c[nH+]1 ZINC001206092601 803205825 /nfs/dbraw/zinc/20/58/25/803205825.db2.gz OGSTYQKJHPYZCE-VXGBXAGGSA-N 2 2 252.362 0.646 20 0 CCADLP CCCCc1[nH]cc(CN2CC[C@@H](O)[C@H]([NH3+])C2)[nH+]1 ZINC001206092601 803205827 /nfs/dbraw/zinc/20/58/27/803205827.db2.gz OGSTYQKJHPYZCE-VXGBXAGGSA-N 2 2 252.362 0.646 20 0 CCADLP CCOCC[NH2+]CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001206410302 803239064 /nfs/dbraw/zinc/23/90/64/803239064.db2.gz LUPNKTCCWSEZGB-UHFFFAOYSA-N 2 2 294.399 0.817 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](CCC[NH2+]C2CCCCC2)C[C@H]1O ZINC001206463789 803246489 /nfs/dbraw/zinc/24/64/89/803246489.db2.gz FTLJLKQHBXRCJH-GXTWGEPZSA-N 3 2 255.406 0.550 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CCC[NH2+]C2CCCCC2)C[C@H]1O ZINC001206463789 803246495 /nfs/dbraw/zinc/24/64/95/803246495.db2.gz FTLJLKQHBXRCJH-GXTWGEPZSA-N 3 2 255.406 0.550 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](CCOC(=O)c2ccccc2)C[C@H]1O ZINC001206464625 803247305 /nfs/dbraw/zinc/24/73/05/803247305.db2.gz RGZZWUHMNFRLBL-QWHCGFSZSA-N 2 2 264.325 0.095 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CCOC(=O)c2ccccc2)C[C@H]1O ZINC001206464625 803247311 /nfs/dbraw/zinc/24/73/11/803247311.db2.gz RGZZWUHMNFRLBL-QWHCGFSZSA-N 2 2 264.325 0.095 20 0 CCADLP CCOc1ccc(OC)cc1C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206480619 803249694 /nfs/dbraw/zinc/24/96/94/803249694.db2.gz FQUNMADXIWJCPD-GXTWGEPZSA-N 2 2 280.368 0.845 20 0 CCADLP CCOc1ccc(OC)cc1C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206480619 803249699 /nfs/dbraw/zinc/24/96/99/803249699.db2.gz FQUNMADXIWJCPD-GXTWGEPZSA-N 2 2 280.368 0.845 20 0 CCADLP CCOc1cc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)ccn1 ZINC001206490429 803252730 /nfs/dbraw/zinc/25/27/30/803252730.db2.gz BWYUVUHVAGFSDZ-NWDGAFQWSA-N 2 2 251.330 0.232 20 0 CCADLP CCOc1cc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)ccn1 ZINC001206490429 803252734 /nfs/dbraw/zinc/25/27/34/803252734.db2.gz BWYUVUHVAGFSDZ-NWDGAFQWSA-N 2 2 251.330 0.232 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2c(Cl)[nH]c3cnccc32)C[C@H]1O ZINC001206491720 803253956 /nfs/dbraw/zinc/25/39/56/803253956.db2.gz KPLQMWANDLIZAI-QPUJVOFHSA-N 2 2 280.759 0.968 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2c(Cl)[nH]c3cnccc32)C[C@H]1O ZINC001206491720 803253962 /nfs/dbraw/zinc/25/39/62/803253962.db2.gz KPLQMWANDLIZAI-QPUJVOFHSA-N 2 2 280.759 0.968 20 0 CCADLP COc1cc(C)cc(OC)c1C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206525208 803259962 /nfs/dbraw/zinc/25/99/62/803259962.db2.gz KXXSMHTVEMGYPK-AAEUAGOBSA-N 2 2 280.368 0.764 20 0 CCADLP COc1cc(C)cc(OC)c1C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206525208 803259968 /nfs/dbraw/zinc/25/99/68/803259968.db2.gz KXXSMHTVEMGYPK-AAEUAGOBSA-N 2 2 280.368 0.764 20 0 CCADLP CCOc1ncc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1C ZINC001206530452 803261924 /nfs/dbraw/zinc/26/19/24/803261924.db2.gz JYRYWAPUHOSHMW-STQMWFEESA-N 2 2 265.357 0.540 20 0 CCADLP CCOc1ncc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1C ZINC001206530452 803261928 /nfs/dbraw/zinc/26/19/28/803261928.db2.gz JYRYWAPUHOSHMW-STQMWFEESA-N 2 2 265.357 0.540 20 0 CCADLP CCOC(=O)c1ccccc1C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206536007 803263405 /nfs/dbraw/zinc/26/34/05/803263405.db2.gz VKBZRFGGEGPSLF-JSGCOSHPSA-N 2 2 278.352 0.615 20 0 CCADLP CCOC(=O)c1ccccc1C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206536007 803263410 /nfs/dbraw/zinc/26/34/10/803263410.db2.gz VKBZRFGGEGPSLF-JSGCOSHPSA-N 2 2 278.352 0.615 20 0 CCADLP COCC[NH2+]CC1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001206898419 803302549 /nfs/dbraw/zinc/30/25/49/803302549.db2.gz QDJBWRKYEOOHPS-UHFFFAOYSA-N 2 2 294.399 0.735 20 0 CCADLP COC(=O)[C@H]1C[N@H+](CC(C)(C)C[NH+](C)C)CCCO1 ZINC001207289025 803378197 /nfs/dbraw/zinc/37/81/97/803378197.db2.gz YUDCAPCOXYNWSW-GFCCVEGCSA-N 2 2 272.389 0.838 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](CC(C)(C)C[NH+](C)C)CCCO1 ZINC001207289025 803378207 /nfs/dbraw/zinc/37/82/07/803378207.db2.gz YUDCAPCOXYNWSW-GFCCVEGCSA-N 2 2 272.389 0.838 20 0 CCADLP CO[C@H](C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208252503 803500461 /nfs/dbraw/zinc/50/04/61/803500461.db2.gz PBPKGHPNAGIFOT-MGPQQGTHSA-N 2 2 294.399 0.745 20 0 CCADLP CO[C@H](C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208252503 803500464 /nfs/dbraw/zinc/50/04/64/803500464.db2.gz PBPKGHPNAGIFOT-MGPQQGTHSA-N 2 2 294.399 0.745 20 0 CCADLP COCCC[NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001208849288 803549054 /nfs/dbraw/zinc/54/90/54/803549054.db2.gz SHCBVBRFEPUGAF-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](CCOC)CC2 ZINC001209212166 803582264 /nfs/dbraw/zinc/58/22/64/803582264.db2.gz WRGIAABIQQXRMT-UHFFFAOYSA-N 2 2 269.389 0.309 20 0 CCADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](CCOC)CC2 ZINC001209212166 803582269 /nfs/dbraw/zinc/58/22/69/803582269.db2.gz WRGIAABIQQXRMT-UHFFFAOYSA-N 2 2 269.389 0.309 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001209296572 803590973 /nfs/dbraw/zinc/59/09/73/803590973.db2.gz UVWBDFKRTAUPFZ-HNNXBMFYSA-N 2 2 283.416 0.115 20 0 CCADLP Nc1cc[nH+]cc1C[NH+]1CCC2(COC(=O)N2)CC1 ZINC001209738271 803627635 /nfs/dbraw/zinc/62/76/35/803627635.db2.gz XMYXFJBCGMPEMB-UHFFFAOYSA-N 2 2 262.313 0.569 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209837703 803631993 /nfs/dbraw/zinc/63/19/93/803631993.db2.gz RJMLFFLTQJLLPD-NWDGAFQWSA-N 2 2 280.372 0.568 20 0 CCADLP COCC[NH2+][C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001210667249 803656741 /nfs/dbraw/zinc/65/67/41/803656741.db2.gz DTUANNNTZXQSGD-LBPRGKRZSA-N 2 2 294.399 0.914 20 0 CCADLP CCC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@H](OC)C1 ZINC001213977650 803709332 /nfs/dbraw/zinc/70/93/32/803709332.db2.gz RHHKVNMARFPKQR-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP CCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@H](OC)C1 ZINC001213977650 803709336 /nfs/dbraw/zinc/70/93/36/803709336.db2.gz RHHKVNMARFPKQR-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1csnn1 ZINC001215455679 803809856 /nfs/dbraw/zinc/80/98/56/803809856.db2.gz BAGFFTLBQJDVOL-ZYHUDNBSSA-N 2 2 297.428 0.426 20 0 CCADLP C[N@@H+]1CCC[C@@H](C[NH2+]CC(C)(C)S(C)(=O)=O)C1 ZINC000093520449 814976896 /nfs/dbraw/zinc/97/68/96/814976896.db2.gz HKOBNKFUPDVSSR-NSHDSACASA-N 2 2 262.419 0.741 20 0 CCADLP C[N@H+]1CCC[C@@H](C[NH2+]CC(C)(C)S(C)(=O)=O)C1 ZINC000093520449 814976900 /nfs/dbraw/zinc/97/69/00/814976900.db2.gz HKOBNKFUPDVSSR-NSHDSACASA-N 2 2 262.419 0.741 20 0 CCADLP NC(=O)[C@@H]([NH3+])Cc1ccc(O[C@H]2C[NH2+]CC2(F)F)cc1 ZINC001218241305 803943836 /nfs/dbraw/zinc/94/38/36/803943836.db2.gz XMABSMOXBSUJOE-QWRGUYRKSA-N 2 2 285.294 0.028 20 0 CCADLP CC(C)(C)c1nnc(NC(=O)C[NH2+]C2CC[NH2+]CC2)o1 ZINC001218508225 803973791 /nfs/dbraw/zinc/97/37/91/803973791.db2.gz MTTZAVKVQOTKAK-UHFFFAOYSA-N 2 2 281.360 0.647 20 0 CCADLP CSc1nccc(NC(=O)C[NH2+]C2CC[NH2+]CC2)n1 ZINC001218509529 803975675 /nfs/dbraw/zinc/97/56/75/803975675.db2.gz MXGKDYSIWLAOGJ-UHFFFAOYSA-N 2 2 281.385 0.479 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2nc3c(s2)C(=O)CCC3)C1 ZINC001218534135 803991160 /nfs/dbraw/zinc/99/11/60/803991160.db2.gz IURLZDKMKTYIBA-SVRRBLITSA-N 2 2 280.353 0.290 20 0 CCADLP Cc1ncc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)nc1C ZINC001218624451 804040051 /nfs/dbraw/zinc/04/00/51/804040051.db2.gz JLBYIIKQIKSFRI-NSHDSACASA-N 2 2 274.328 0.335 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2nccc3cnccc32)C1 ZINC001218637862 804052942 /nfs/dbraw/zinc/05/29/42/804052942.db2.gz QYNQJSHYOAAOSL-KOLCDFICSA-N 2 2 257.297 0.258 20 0 CCADLP CCc1ccc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)cn1 ZINC001218652048 804062012 /nfs/dbraw/zinc/06/20/12/804062012.db2.gz IMNATPRLXICDIR-BZPMIXESSA-N 2 2 260.341 0.804 20 0 CCADLP Cc1cc(C)c2c(NC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)nn(C)c2n1 ZINC001218661353 804070560 /nfs/dbraw/zinc/07/05/60/804070560.db2.gz MMYUUSRFGWVDKZ-ZJUUUORDSA-N 2 2 288.355 0.213 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cn2c(cccc2Cl)n1 ZINC001218739160 804099599 /nfs/dbraw/zinc/09/95/99/804099599.db2.gz XCWJWVINGQGFCS-YUMQZZPRSA-N 2 2 279.731 0.473 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cn3c(cccc3Cl)n2)C1 ZINC001218737343 804100156 /nfs/dbraw/zinc/10/01/56/804100156.db2.gz BLBDQRPVXSWANO-SFYZADRCSA-N 2 2 279.731 0.615 20 0 CCADLP Cc1cc(NC(=O)[C@@H]([NH3+])CC[NH3+])n(CC2CCOCC2)n1 ZINC001218752802 804110745 /nfs/dbraw/zinc/11/07/45/804110745.db2.gz LWEWPXGQDSVFQZ-LBPRGKRZSA-N 2 2 295.387 0.233 20 0 CCADLP COc1cc(NC(=O)C[NH2+]C2CC[NH2+]CC2)cc(OC)c1 ZINC001218808569 804127413 /nfs/dbraw/zinc/12/74/13/804127413.db2.gz GGTNMEMOCYAIFB-UHFFFAOYSA-N 2 2 293.367 0.984 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc(Cn2cccn2)c1 ZINC001218850557 804139422 /nfs/dbraw/zinc/13/94/22/804139422.db2.gz RTSQYVPIASGOBP-KBPBESRZSA-N 2 2 285.351 0.417 20 0 CCADLP Cn1cnc2ccc(NC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])cc21 ZINC001218885883 804148399 /nfs/dbraw/zinc/14/83/99/804148399.db2.gz NCVUUOUUOWWCDU-UWVGGRQHSA-N 2 2 259.313 0.059 20 0 CCADLP [NH3+]C1(C(=O)Nc2ccc3ncncc3c2)CC[NH2+]CC1 ZINC001219105826 804200031 /nfs/dbraw/zinc/20/00/31/804200031.db2.gz WASCMHDFRSPESH-UHFFFAOYSA-N 2 2 271.324 0.649 20 0 CCADLP Cc1cc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc2snnc21 ZINC001219184886 804229323 /nfs/dbraw/zinc/22/93/23/804229323.db2.gz ZQXPIGSPNGSSET-IUCAKERBSA-N 2 2 277.353 0.485 20 0 CCADLP Nc1nc2cc(NC(=O)[C@@H]([NH3+])CC[NH3+])ccc2s1 ZINC001219247537 804248867 /nfs/dbraw/zinc/24/88/67/804248867.db2.gz IDSRMFNEZUNFBB-ZETCQYMHSA-N 2 2 265.342 0.493 20 0 CCADLP CC1(c2ccc(NC(=O)C3([NH3+])CC[NH2+]CC3)cc2)COC1 ZINC001219491742 804329231 /nfs/dbraw/zinc/32/92/31/804329231.db2.gz WZDKOWLYKGXDSH-UHFFFAOYSA-N 2 2 289.379 0.994 20 0 CCADLP CC1(c2ccc(NC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])cc2)COC1 ZINC001219491312 804329623 /nfs/dbraw/zinc/32/96/23/804329623.db2.gz PXXXPQDKCMZURX-STQMWFEESA-N 2 2 275.352 0.460 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NCc2cc[nH]n2)cc1 ZINC001219689381 804405149 /nfs/dbraw/zinc/40/51/49/804405149.db2.gz QHXNRZOFZMBHAK-LBPRGKRZSA-N 2 2 259.313 0.298 20 0 CCADLP Cc1ccn2c(CNC(=O)C3([NH3+])CC[NH2+]CC3)cnc2c1 ZINC001219709451 804411623 /nfs/dbraw/zinc/41/16/23/804411623.db2.gz HSTXXAVRRXGNLU-UHFFFAOYSA-N 2 2 287.367 0.340 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1O ZINC001219774440 804421761 /nfs/dbraw/zinc/42/17/61/804421761.db2.gz NSMGORCAWSVQLY-KGLIPLIRSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1O ZINC001219774440 804421764 /nfs/dbraw/zinc/42/17/64/804421764.db2.gz NSMGORCAWSVQLY-KGLIPLIRSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1O ZINC001219774440 804421767 /nfs/dbraw/zinc/42/17/67/804421767.db2.gz NSMGORCAWSVQLY-KGLIPLIRSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1O ZINC001219774440 804421771 /nfs/dbraw/zinc/42/17/71/804421771.db2.gz NSMGORCAWSVQLY-KGLIPLIRSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(N[C@@H]1CC[NH2+][C@H]1c1ccccc1)C1(F)C[NH2+]C1 ZINC001219816349 804427299 /nfs/dbraw/zinc/42/72/99/804427299.db2.gz ITCQKKDITQHKMQ-NEPJUHHUSA-N 2 2 263.316 0.517 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCCCc1ccncc1 ZINC001219980456 804465072 /nfs/dbraw/zinc/46/50/72/804465072.db2.gz HMYZYBSYMPVVSW-CYBMUJFWSA-N 2 2 273.340 0.424 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2nccc3ccccc32)C1 ZINC001220046818 804483645 /nfs/dbraw/zinc/48/36/45/804483645.db2.gz FRPRIPXNILWOAO-YPMHNXCESA-N 2 2 270.336 0.540 20 0 CCADLP CC1(C)CC(NC(=O)C2([NH3+])CC[NH2+]CC2)CC(C)(C)N1O ZINC001220049988 804485873 /nfs/dbraw/zinc/48/58/73/804485873.db2.gz WXCDVIMSRBLEGB-UHFFFAOYSA-N 2 2 298.431 0.594 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cccc(F)n1 ZINC001220125046 804506232 /nfs/dbraw/zinc/50/62/32/804506232.db2.gz WAWMHILHNCQVSV-SNVBAGLBSA-N 2 2 263.276 0.130 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NC[C@H]2C[C@@H](O)C2)cc1 ZINC001220191614 804531858 /nfs/dbraw/zinc/53/18/58/804531858.db2.gz LYNQEGCMKJQJAT-BIMULSAOSA-N 2 2 263.341 0.146 20 0 CCADLP NC(=[NH2+])NCCCCC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC001220189597 804532655 /nfs/dbraw/zinc/53/26/55/804532655.db2.gz SOUDJLRAAXJUSP-SECBINFHSA-N 2 2 291.346 0.001 20 0 CCADLP Cc1ccc(CNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c(F)c1F ZINC001220210049 804538073 /nfs/dbraw/zinc/53/80/73/804538073.db2.gz OVLKKSMMYKIFNH-ZJUUUORDSA-N 2 2 269.295 0.579 20 0 CCADLP CCOC(CCNC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)OCC ZINC001220230733 804545251 /nfs/dbraw/zinc/54/52/51/804545251.db2.gz NUIVMMXUUKOFIM-LBPRGKRZSA-N 2 2 298.387 0.195 20 0 CCADLP Cc1[nH+]c[nH]c1CSCCNC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220257389 804553097 /nfs/dbraw/zinc/55/30/97/804553097.db2.gz XKAJRFNXMOEKLA-JTQLQIEISA-N 3 2 285.417 0.134 20 0 CCADLP Cc1cccnc1[C@@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C1CC1 ZINC001220257366 804553961 /nfs/dbraw/zinc/55/39/61/804553961.db2.gz WNMOMHOPSGAYCJ-OBJOEFQTSA-N 2 2 274.368 0.504 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC001220274971 804558250 /nfs/dbraw/zinc/55/82/50/804558250.db2.gz STWHWOSFVUPRKJ-DGCLKSJQSA-N 2 2 280.372 0.534 20 0 CCADLP C[C@H](NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)c1cnn(C)c1 ZINC001220308157 804567633 /nfs/dbraw/zinc/56/76/33/804567633.db2.gz DUPAIVSWNJMFJP-HZMBPMFUSA-N 2 2 287.367 0.870 20 0 CCADLP O=C(NCc1cccc2n[nH]cc21)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220308049 804567652 /nfs/dbraw/zinc/56/76/52/804567652.db2.gz ARBKKPWHTGFGRL-LEWSCRJBSA-N 2 2 285.351 0.129 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCC(F)(F)C1 ZINC001220308107 804567715 /nfs/dbraw/zinc/56/77/15/804567715.db2.gz COAZLMWKFKJFKV-SCZZXKLOSA-N 2 2 272.299 0.974 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCc1ccc(Cl)nn1 ZINC001220368472 804582596 /nfs/dbraw/zinc/58/25/96/804582596.db2.gz FVLJRKYIAZRKMX-JTQLQIEISA-N 2 2 294.746 0.050 20 0 CCADLP O=C(NCc1cc[nH]c1)[C@@H]1CCC[N@@H+]([C@@H]2CC[NH2+]C2)C1 ZINC001220386323 804591213 /nfs/dbraw/zinc/59/12/13/804591213.db2.gz PACGUEQSSYDNRO-ZIAGYGMSSA-N 2 2 276.384 0.705 20 0 CCADLP O=C(NCc1cc[nH]c1)[C@@H]1CCC[N@H+]([C@@H]2CC[NH2+]C2)C1 ZINC001220386323 804591217 /nfs/dbraw/zinc/59/12/17/804591217.db2.gz PACGUEQSSYDNRO-ZIAGYGMSSA-N 2 2 276.384 0.705 20 0 CCADLP O=C(NCCc1c[nH]c2cccnc12)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220384557 804591434 /nfs/dbraw/zinc/59/14/34/804591434.db2.gz XKSUFLIJIABGFO-FPMFFAJLSA-N 2 2 299.378 0.172 20 0 CCADLP CSc1ccc(OCCNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc1 ZINC001220423053 804601098 /nfs/dbraw/zinc/60/10/98/804601098.db2.gz ZAXGLSCCXTUKFD-MFKMUULPSA-N 2 2 295.408 0.593 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC001220500859 804616406 /nfs/dbraw/zinc/61/64/06/804616406.db2.gz LPMPAYCUURYRTB-KBPBESRZSA-N 3 2 287.367 0.106 20 0 CCADLP Cn1nc(CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)c2ccccc21 ZINC001220631934 804639644 /nfs/dbraw/zinc/63/96/44/804639644.db2.gz IJLCXQGPTGUGHB-HSMVNMDESA-N 2 2 299.378 0.411 20 0 CCADLP O=C(NCc1cccc2cc[nH]c21)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220714521 804654492 /nfs/dbraw/zinc/65/44/92/804654492.db2.gz OMKDIUIVQZRAEY-XJKSGUPXSA-N 2 2 284.363 0.736 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])CC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC001220725509 804656037 /nfs/dbraw/zinc/65/60/37/804656037.db2.gz SVZXKNFZRHBGOQ-XQQFMLRXSA-N 2 2 271.405 0.587 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])CC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC001220725509 804656041 /nfs/dbraw/zinc/65/60/41/804656041.db2.gz SVZXKNFZRHBGOQ-XQQFMLRXSA-N 2 2 271.405 0.587 20 0 CCADLP CC(=O)NC[C@H](C)CNC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220756314 804660855 /nfs/dbraw/zinc/66/08/55/804660855.db2.gz AWWGJJTVIKPDMB-IINYFYTJSA-N 2 2 292.383 0.147 20 0 CCADLP COc1cncc(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)c1 ZINC001220869784 804685422 /nfs/dbraw/zinc/68/54/22/804685422.db2.gz CKCMVNPXUAWPKO-ZDUSSCGKSA-N 2 2 289.339 0.010 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC001220896480 804696246 /nfs/dbraw/zinc/69/62/46/804696246.db2.gz NJMMJHCQAVQSTF-CHWSQXEVSA-N 3 2 262.357 0.127 20 0 CCADLP Cc1ccccc1CC(C)(C)NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001220958523 804707790 /nfs/dbraw/zinc/70/77/90/804707790.db2.gz NZGQUVFIOZHTHH-KBPBESRZSA-N 2 2 275.396 0.979 20 0 CCADLP O=C(C[C@@H]1COCC[NH2+]1)NCc1c[nH+]cn1C1CCC1 ZINC001221023360 804721645 /nfs/dbraw/zinc/72/16/45/804721645.db2.gz IXRIMBHMZDMTRO-LLVKDONJSA-N 2 2 278.356 0.603 20 0 CCADLP C[S@](=O)CC[C@H]([NH3+])C(=O)NCc1c[nH+]cn1C1CCC1 ZINC001221023141 804721761 /nfs/dbraw/zinc/72/17/61/804721761.db2.gz CDIIPTYYDNFVQY-YUNKPMOVSA-N 2 2 298.412 0.320 20 0 CCADLP [NH3+]CCC[C@H]([NH3+])C(=O)NCc1c[nH+]cn1C1CCC1 ZINC001221023385 804722042 /nfs/dbraw/zinc/72/20/42/804722042.db2.gz JTMBTVNEBXKPBD-LBPRGKRZSA-N 3 2 265.361 0.291 20 0 CCADLP [NH3+]C1(C(=O)N[C@H](c2ncccc2F)C2CC2)CC[NH2+]CC1 ZINC001221219408 804750299 /nfs/dbraw/zinc/75/02/99/804750299.db2.gz WCMIPSVLCDJCEU-LBPRGKRZSA-N 2 2 292.358 0.869 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CCCNC(=O)C2)cc1 ZINC001221269849 804762122 /nfs/dbraw/zinc/76/21/22/804762122.db2.gz ZIVAVNQBDWFBMN-OLZOCXBDSA-N 2 2 290.367 0.044 20 0 CCADLP Cc1ncsc1CCNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221327743 804777370 /nfs/dbraw/zinc/77/73/70/804777370.db2.gz DFFLBDRZSHWCEY-GWCFXTLKSA-N 2 2 280.397 0.062 20 0 CCADLP CC(C)(C)[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[NH2+]1 ZINC001221357630 804787143 /nfs/dbraw/zinc/78/71/43/804787143.db2.gz PLXVBQNSYHWFDD-RYUDHWBXSA-N 2 2 269.389 0.211 20 0 CCADLP CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC1 ZINC001221395230 804800223 /nfs/dbraw/zinc/80/02/23/804800223.db2.gz PGEJGVMLVOOPPE-MQYQWHSLSA-N 3 2 282.432 0.445 20 0 CCADLP C[NH+](C)CC1CCC(NC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001221402269 804803180 /nfs/dbraw/zinc/80/31/80/804803180.db2.gz BRBDWGQBVQARKB-HTHKGWQXSA-N 3 2 294.443 0.175 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001221407785 804807156 /nfs/dbraw/zinc/80/71/56/804807156.db2.gz MQFOKRUUCBJDEZ-MRVWCRGKSA-N 3 2 293.415 0.515 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001221407785 804807162 /nfs/dbraw/zinc/80/71/62/804807162.db2.gz MQFOKRUUCBJDEZ-MRVWCRGKSA-N 3 2 293.415 0.515 20 0 CCADLP Nc1cc[nH+]cc1C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222090423 804866966 /nfs/dbraw/zinc/86/69/66/804866966.db2.gz ANNBIXZHHPENIF-UHFFFAOYSA-N 3 2 261.373 0.022 20 0 CCADLP Nc1cc[nH+]cc1C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222090423 804866972 /nfs/dbraw/zinc/86/69/72/804866972.db2.gz ANNBIXZHHPENIF-UHFFFAOYSA-N 3 2 261.373 0.022 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCOCC3(CC[NH2+]CC3)C2)O1 ZINC001222400941 804898471 /nfs/dbraw/zinc/89/84/71/804898471.db2.gz ODVYCQSZONDEKY-ZDUSSCGKSA-N 3 2 283.416 0.413 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCOCC3(CC[NH2+]CC3)C2)O1 ZINC001222400941 804898478 /nfs/dbraw/zinc/89/84/78/804898478.db2.gz ODVYCQSZONDEKY-ZDUSSCGKSA-N 3 2 283.416 0.413 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)C2CC(F)(F)C2)CC1 ZINC000321339764 805012810 /nfs/dbraw/zinc/01/28/10/805012810.db2.gz KRPWNGCEQHEUMY-UHFFFAOYSA-N 2 2 261.316 0.571 20 0 CCADLP C[NH+](C)CCC(=O)NCC1CC[NH+](Cc2cnon2)CC1 ZINC001224347012 805029782 /nfs/dbraw/zinc/02/97/82/805029782.db2.gz WMACNYVUQCKLJF-UHFFFAOYSA-N 2 2 295.387 0.350 20 0 CCADLP Cc1cc(N2CC3(C2)C[NH+](CC(=O)N(C)C)C3)cc[nH+]1 ZINC001277065055 805152482 /nfs/dbraw/zinc/15/24/82/805152482.db2.gz SHPQLADJNYQXQH-UHFFFAOYSA-N 2 2 274.368 0.600 20 0 CCADLP CO[C@@H](C)C[NH+]1CCC(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001228535463 805454258 /nfs/dbraw/zinc/45/42/58/805454258.db2.gz ZEOADZCPBRXTHM-ZDUSSCGKSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@H](O)C[NH+]1CCC(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001228534930 805454271 /nfs/dbraw/zinc/45/42/71/805454271.db2.gz PPHODJQGKKIVCV-LBPRGKRZSA-N 2 2 280.372 0.235 20 0 CCADLP O[C@@H](C[NH2+][C@H]1C[NH2+]CC12CC2)COCc1ccccc1 ZINC001245985903 807107292 /nfs/dbraw/zinc/10/72/92/807107292.db2.gz NKJCWKANDBTRMH-GJZGRUSLSA-N 2 2 276.380 0.906 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1C[NH2+]CC12CC2)COCc1ccco1 ZINC001245986746 807107809 /nfs/dbraw/zinc/10/78/09/807107809.db2.gz QEQZNHRAQJPHLE-WCQYABFASA-N 2 2 266.341 0.499 20 0 CCADLP CC(C)[C@@H](O)C[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001245987458 807108565 /nfs/dbraw/zinc/10/85/65/807108565.db2.gz SCHNUVPTVYMCPM-OLZOCXBDSA-N 3 2 255.406 0.467 20 0 CCADLP CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCc2c[nH+]cn2C)C1 ZINC000989735552 815091100 /nfs/dbraw/zinc/09/11/00/815091100.db2.gz CEWLMDLTLNYLJE-NEPJUHHUSA-N 2 2 264.373 0.952 20 0 CCADLP COc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246048642 807132884 /nfs/dbraw/zinc/13/28/84/807132884.db2.gz ZDJCATAWSDLVBG-ZENOOKHLSA-N 2 2 292.379 0.858 20 0 CCADLP COc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001246048642 807132890 /nfs/dbraw/zinc/13/28/90/807132890.db2.gz ZDJCATAWSDLVBG-ZENOOKHLSA-N 2 2 292.379 0.858 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N[C@@H](C[NH3+])c2ccccc2)C[NH2+]1 ZINC001246075915 807142822 /nfs/dbraw/zinc/14/28/22/807142822.db2.gz MAGKNSWIVYFWBL-AVGNSLFASA-N 2 2 263.341 0.180 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N[C@H]2C[NH2+]Cc3ccsc32)C[NH2+]1 ZINC001246140982 807164144 /nfs/dbraw/zinc/16/41/44/807164144.db2.gz JBSIAKGRBIWDIL-DCAQKATOSA-N 2 2 281.381 0.386 20 0 CCADLP C([NH2+][C@H]1CCSC1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246145137 807166385 /nfs/dbraw/zinc/16/63/85/807166385.db2.gz LSQKYVDHSSHBJR-RYUDHWBXSA-N 3 2 255.431 0.956 20 0 CCADLP CC(C)OC(=O)[C@H](C)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246149547 807167908 /nfs/dbraw/zinc/16/79/08/807167908.db2.gz CIXAMVJANNVJJL-QWRGUYRKSA-N 2 2 255.362 0.010 20 0 CCADLP COC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CSC2(C[NH2+]C2)C1 ZINC001246154667 807171098 /nfs/dbraw/zinc/17/10/98/807171098.db2.gz ZWBLOZLBAYABRQ-QWRGUYRKSA-N 3 2 287.429 0.094 20 0 CCADLP CCC[NH+](CCC)CCN[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246162953 807172458 /nfs/dbraw/zinc/17/24/58/807172458.db2.gz SPXCUZSBFASFIS-OLZOCXBDSA-N 2 2 271.405 0.602 20 0 CCADLP CCC[NH+](CCC)CC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246162978 807172523 /nfs/dbraw/zinc/17/25/23/807172523.db2.gz UCXIDVASAWVZDT-CQSZACIVSA-N 3 2 268.449 0.792 20 0 CCADLP C[C@@H]1CC[C@@H]([NH2+]CCNC(=O)c2ccncc2)C[NH2+]1 ZINC001246169554 807173612 /nfs/dbraw/zinc/17/36/12/807173612.db2.gz JIHUIYRDNVAXIQ-DGCLKSJQSA-N 2 2 262.357 0.542 20 0 CCADLP C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H](O)[C@H]3OC(C)(C)O[C@@H]23)C[NH2+]1 ZINC001246216959 807190080 /nfs/dbraw/zinc/19/00/80/807190080.db2.gz CQPQWXCBASGDKH-DIURFFJMSA-N 2 2 270.373 0.370 20 0 CCADLP COc1ccc(C[C@@H](CO)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC001246277197 807206198 /nfs/dbraw/zinc/20/61/98/807206198.db2.gz GJAAJTUVUZRKLY-KBPBESRZSA-N 2 2 264.369 0.940 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H](NC2(C[NH3+])CCCC2)C[NH2+]1 ZINC001246285608 807208972 /nfs/dbraw/zinc/20/89/72/807208972.db2.gz HPVCXBOTPXPFJD-SMDDNHRTSA-N 2 2 269.389 0.531 20 0 CCADLP COCCOCCOCCOCC[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246291236 807209554 /nfs/dbraw/zinc/20/95/54/807209554.db2.gz SJVJKLXZHFWHIR-CQSZACIVSA-N 2 2 290.404 0.024 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@@H]1[NH2+][C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001246298399 807211807 /nfs/dbraw/zinc/21/18/07/807211807.db2.gz BCNNMCDXWQRFHO-NVBFEUDRSA-N 2 2 282.334 0.992 20 0 CCADLP OC[C@H]1C[NH2+]C[C@@H]1[NH2+]C1CCN(c2cccc(F)c2)CC1 ZINC001246299306 807212688 /nfs/dbraw/zinc/21/26/88/807212688.db2.gz KUZBVGAREWMXSC-WBMJQRKESA-N 2 2 293.386 0.964 20 0 CCADLP C[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1C[NH2+]C[C@H]1CO ZINC001246309494 807217217 /nfs/dbraw/zinc/21/72/17/807217217.db2.gz RDKARHUNVDNELJ-SCDSUCTJSA-N 2 2 252.333 0.927 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCc2ncsc2C1 ZINC001246312481 807218618 /nfs/dbraw/zinc/21/86/18/807218618.db2.gz XWADUWRQPSUSSL-IQJOONFLSA-N 2 2 253.371 0.170 20 0 CCADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)CCS(=O)(=O)CCC(=O)OC ZINC001246311410 807218856 /nfs/dbraw/zinc/21/88/56/807218856.db2.gz CJHDPTNDTHCLSD-QWRGUYRKSA-N 2 2 294.417 0.070 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N2c3ccccc3OC[C@@H]2C[NH3+])C[NH2+]1 ZINC001246318925 807219381 /nfs/dbraw/zinc/21/93/81/807219381.db2.gz UKLIPXJMHUNLMO-SRVKXCTJSA-N 2 2 291.351 0.116 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CCC2(C)C)CN1 ZINC001246324870 807221997 /nfs/dbraw/zinc/22/19/97/807221997.db2.gz HKEYPNGMJPOXOF-SDDRHHMPSA-N 2 2 269.389 0.258 20 0 CCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246332795 807225471 /nfs/dbraw/zinc/22/54/71/807225471.db2.gz JBNORFHMLBMKNX-LOWVWBTDSA-N 2 2 280.372 0.234 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C[NH3+])C(C)(C)C)CN1 ZINC001246344353 807227207 /nfs/dbraw/zinc/22/72/07/807227207.db2.gz JALZOVYIAQMONF-WOPDTQHZSA-N 2 2 271.405 0.633 20 0 CCADLP C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](C3COC3)CC2)C[NH2+]1 ZINC001246465015 807258121 /nfs/dbraw/zinc/25/81/21/807258121.db2.gz HSPORXSOZYPHOF-TZMCWYRMSA-N 3 2 267.417 0.827 20 0 CCADLP C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](C3COC3)CC2)CN1 ZINC001246465015 807258124 /nfs/dbraw/zinc/25/81/24/807258124.db2.gz HSPORXSOZYPHOF-TZMCWYRMSA-N 2 2 267.417 0.827 20 0 CCADLP COC(=O)[C@H]([NH3+])Cc1cn([C@H]2CC[NH2+][C@@H](C)C2)cn1 ZINC001246521681 807272121 /nfs/dbraw/zinc/27/21/21/807272121.db2.gz IYLCHVBTXQVVCL-ZMLRMANQSA-N 2 2 266.345 0.239 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2[C@@H](C)CC[C@H]2C[NH3+])CO1 ZINC001246540065 807277645 /nfs/dbraw/zinc/27/76/45/807277645.db2.gz FDJRLLFBRACPIW-RVMXOQNASA-N 2 2 270.373 0.909 20 0 CCADLP CCOC(=O)[C@@H]1C[C@@H]([N@@H+]2CC[C@@H]([NH3+])[C@H]2C)CCN1 ZINC001246549642 807282704 /nfs/dbraw/zinc/28/27/04/807282704.db2.gz LRWYRPFKAKDXFX-KXNHARMFSA-N 2 2 255.362 0.092 20 0 CCADLP CCOC(=O)[C@@H]1C[C@@H]([N@H+]2CC[C@@H]([NH3+])[C@H]2C)CCN1 ZINC001246549642 807282708 /nfs/dbraw/zinc/28/27/08/807282708.db2.gz LRWYRPFKAKDXFX-KXNHARMFSA-N 2 2 255.362 0.092 20 0 CCADLP [NH3+][C@@H]1C[N@@H+](C2CCN(c3cccc(F)c3)CC2)C[C@H]1O ZINC001246555146 807286968 /nfs/dbraw/zinc/28/69/68/807286968.db2.gz DXIOVHFNEGWPEP-HUUCEWRRSA-N 2 2 279.359 0.798 20 0 CCADLP [NH3+][C@@H]1C[N@H+](C2CCN(c3cccc(F)c3)CC2)C[C@H]1O ZINC001246555146 807286972 /nfs/dbraw/zinc/28/69/72/807286972.db2.gz DXIOVHFNEGWPEP-HUUCEWRRSA-N 2 2 279.359 0.798 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+]([C@H]2CC[NH2+][C@H](c3ccccc3)C2)C[C@@H]1O ZINC001246578634 807299934 /nfs/dbraw/zinc/29/99/34/807299934.db2.gz GVISXHURFQWGEZ-VGWMRTNUSA-N 3 2 275.396 0.731 20 0 CCADLP [NH3+]C[C@H]1C[N@H+]([C@H]2CC[NH2+][C@H](c3ccccc3)C2)C[C@@H]1O ZINC001246578634 807299939 /nfs/dbraw/zinc/29/99/39/807299939.db2.gz GVISXHURFQWGEZ-VGWMRTNUSA-N 3 2 275.396 0.731 20 0 CCADLP OC[C@@H]1C[C@@](O)(C(F)(F)F)C[N@@H+]1C1CC[NH2+]CC1 ZINC001246586777 807308313 /nfs/dbraw/zinc/30/83/13/807308313.db2.gz NLQVHOUHYPDRKW-UWVGGRQHSA-N 2 2 268.279 0.098 20 0 CCADLP OC[C@@H]1C[C@@](O)(C(F)(F)F)C[N@H+]1C1CC[NH2+]CC1 ZINC001246586777 807308321 /nfs/dbraw/zinc/30/83/21/807308321.db2.gz NLQVHOUHYPDRKW-UWVGGRQHSA-N 2 2 268.279 0.098 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)CN1 ZINC001246662245 807349030 /nfs/dbraw/zinc/34/90/30/807349030.db2.gz YPYZFNGUDRALON-MQYQWHSLSA-N 2 2 281.400 0.354 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)CN1 ZINC001246662245 807349039 /nfs/dbraw/zinc/34/90/39/807349039.db2.gz YPYZFNGUDRALON-MQYQWHSLSA-N 2 2 281.400 0.354 20 0 CCADLP CCCC[C@@H]1C[C@H]([N@@H+]2CCN[C@@H](C(=O)OC)C2)CC[NH2+]1 ZINC001246693271 807355288 /nfs/dbraw/zinc/35/52/88/807355288.db2.gz HRKOCSKSWYXCRM-MGPQQGTHSA-N 2 2 283.416 0.744 20 0 CCADLP CCCC[C@@H]1C[C@H]([N@H+]2CCN[C@@H](C(=O)OC)C2)CC[NH2+]1 ZINC001246693271 807355297 /nfs/dbraw/zinc/35/52/97/807355297.db2.gz HRKOCSKSWYXCRM-MGPQQGTHSA-N 2 2 283.416 0.744 20 0 CCADLP CN(C)C(=O)[C@@H]1CCO[C@@H]2CC[N@@H+]([C@H]3CCC[NH2+]C3)C[C@@H]21 ZINC001246705206 807359751 /nfs/dbraw/zinc/35/97/51/807359751.db2.gz SMKIWCDFZRIQKR-GBJTYRQASA-N 2 2 295.427 0.554 20 0 CCADLP CN(C)C(=O)[C@@H]1CCO[C@@H]2CC[N@H+]([C@H]3CCC[NH2+]C3)C[C@@H]21 ZINC001246705206 807359759 /nfs/dbraw/zinc/35/97/59/807359759.db2.gz SMKIWCDFZRIQKR-GBJTYRQASA-N 2 2 295.427 0.554 20 0 CCADLP Cc1noc([C@]23COC[C@H]2C[N@@H+]([C@@H]2CCC[NH2+]C2)C3)n1 ZINC001246725739 807365792 /nfs/dbraw/zinc/36/57/92/807365792.db2.gz MVVVFTGORRZXEU-YRGRVCCFSA-N 2 2 278.356 0.330 20 0 CCADLP Cc1noc([C@]23COC[C@H]2C[N@H+]([C@@H]2CCC[NH2+]C2)C3)n1 ZINC001246725739 807365799 /nfs/dbraw/zinc/36/57/99/807365799.db2.gz MVVVFTGORRZXEU-YRGRVCCFSA-N 2 2 278.356 0.330 20 0 CCADLP C[C@H]1CC[C@@H]([N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)C[NH2+]1 ZINC001246749695 807369625 /nfs/dbraw/zinc/36/96/25/807369625.db2.gz SHOYFHDNCNIWPG-XUWVNRHRSA-N 3 2 280.460 0.837 20 0 CCADLP C[C@H]1CC[C@@H]([N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)C[NH2+]1 ZINC001246749695 807369630 /nfs/dbraw/zinc/36/96/30/807369630.db2.gz SHOYFHDNCNIWPG-XUWVNRHRSA-N 3 2 280.460 0.837 20 0 CCADLP COC(=O)[C@H]1COCCC12C[NH+]([C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246854940 807408084 /nfs/dbraw/zinc/40/80/84/807408084.db2.gz RMNDWMZDGOTSGF-JHJVBQTASA-N 2 2 282.384 0.638 20 0 CCADLP COCCC[NH+]1CCC([N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246857490 807409024 /nfs/dbraw/zinc/40/90/24/807409024.db2.gz ZVSXRENRIVYLEH-ZFWWWQNUSA-N 3 2 267.417 0.910 20 0 CCADLP COCCC[NH+]1CCC([N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246857490 807409026 /nfs/dbraw/zinc/40/90/26/807409026.db2.gz ZVSXRENRIVYLEH-ZFWWWQNUSA-N 3 2 267.417 0.910 20 0 CCADLP CC(C)(C)OC(=O)C[NH+]1CCC(N2C[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246923387 807429390 /nfs/dbraw/zinc/42/93/90/807429390.db2.gz YIZHZEBJHCBXMQ-JSGCOSHPSA-N 2 2 295.427 0.696 20 0 CCADLP CC(C)(C)OC(=O)CN1CCC([N@@H+]2C[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246923387 807429392 /nfs/dbraw/zinc/42/93/92/807429392.db2.gz YIZHZEBJHCBXMQ-JSGCOSHPSA-N 2 2 295.427 0.696 20 0 CCADLP CC(C)(C)OC(=O)CN1CCC([N@H+]2C[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246923387 807429396 /nfs/dbraw/zinc/42/93/96/807429396.db2.gz YIZHZEBJHCBXMQ-JSGCOSHPSA-N 2 2 295.427 0.696 20 0 CCADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246926472 807429978 /nfs/dbraw/zinc/42/99/78/807429978.db2.gz SPRIANNRCJIMDE-CYBMUJFWSA-N 3 2 263.389 0.299 20 0 CCADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246926472 807429981 /nfs/dbraw/zinc/42/99/81/807429981.db2.gz SPRIANNRCJIMDE-CYBMUJFWSA-N 3 2 263.389 0.299 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCOC(C)(C)C2)C[C@H]1[NH3+] ZINC001246929989 807431993 /nfs/dbraw/zinc/43/19/93/807431993.db2.gz JCFUAVWNZNPBPE-GMTAPVOTSA-N 2 2 256.346 0.376 20 0 CCADLP COC(=O)[C@@H]1C[N@H+]([C@@H]2CCOC(C)(C)C2)C[C@H]1[NH3+] ZINC001246929989 807431997 /nfs/dbraw/zinc/43/19/97/807431997.db2.gz JCFUAVWNZNPBPE-GMTAPVOTSA-N 2 2 256.346 0.376 20 0 CCADLP C[C@H]1CN(C2C[C@@H]3COC[C@H](C2)[N@@H+]3C)C[C@H](C)[NH2+]1 ZINC001246961547 807442310 /nfs/dbraw/zinc/44/23/10/807442310.db2.gz BDRIUXUNJQCUAQ-WSOGJNRSSA-N 2 2 253.390 0.530 20 0 CCADLP C[C@H]1CN(C2C[C@@H]3COC[C@H](C2)[N@H+]3C)C[C@H](C)[NH2+]1 ZINC001246961547 807442311 /nfs/dbraw/zinc/44/23/11/807442311.db2.gz BDRIUXUNJQCUAQ-WSOGJNRSSA-N 2 2 253.390 0.530 20 0 CCADLP C[NH+](C)Cc1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001247400286 807459874 /nfs/dbraw/zinc/45/98/74/807459874.db2.gz ZGPZVARVBWXQFH-UHFFFAOYSA-N 2 2 259.313 0.839 20 0 CCADLP [NH3+]C[C@H]([NH3+])Cc1nc(-c2ccc3nccnc3c2)no1 ZINC001249128412 807544563 /nfs/dbraw/zinc/54/45/63/807544563.db2.gz BRQWBMBTQDHTPT-SECBINFHSA-N 2 2 270.296 0.508 20 0 CCADLP CCOCC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001278533346 807567302 /nfs/dbraw/zinc/56/73/02/807567302.db2.gz RCSDAXNEZLRFHG-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP CCOCC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001278533346 807567309 /nfs/dbraw/zinc/56/73/09/807567309.db2.gz RCSDAXNEZLRFHG-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP CCOc1cc(NC[C@H](O)C[NH+]2CCOCC2)cc(C)[nH+]1 ZINC001251005375 807637543 /nfs/dbraw/zinc/63/75/43/807637543.db2.gz BCIOPWYESWRUQX-AWEZNQCLSA-N 2 2 295.383 0.894 20 0 CCADLP O[C@H](CNc1c[nH+]c2ccccn12)C[NH+]1CCOCC1 ZINC001251007905 807638038 /nfs/dbraw/zinc/63/80/38/807638038.db2.gz WSTMHGMKIKIIRV-GFCCVEGCSA-N 2 2 276.340 0.439 20 0 CCADLP CC(C)[N@@H+]1CCN(C[C@H](O)C[NH+]2CCOCC2)C[C@@H]1C ZINC001251022962 807645116 /nfs/dbraw/zinc/64/51/16/807645116.db2.gz JJQQMLGUCMGHCJ-LSDHHAIUSA-N 2 2 285.432 0.094 20 0 CCADLP CC(C)[N@H+]1CCN(C[C@H](O)C[NH+]2CCOCC2)C[C@@H]1C ZINC001251022962 807645119 /nfs/dbraw/zinc/64/51/19/807645119.db2.gz JJQQMLGUCMGHCJ-LSDHHAIUSA-N 2 2 285.432 0.094 20 0 CCADLP [NH2+]=C(NC[C@@H](O)C[NH+]1CCOCC1)c1cccnc1Cl ZINC001251041081 807653550 /nfs/dbraw/zinc/65/35/50/807653550.db2.gz DBGLCVCWXOVAEG-SNVBAGLBSA-N 2 2 298.774 0.343 20 0 CCADLP C[C@H](O)C[N@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001251958751 807750012 /nfs/dbraw/zinc/75/00/12/807750012.db2.gz NUGWAMJHQVAJAR-ZDUSSCGKSA-N 2 2 293.415 0.503 20 0 CCADLP C[C@H](O)C[N@@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001251958751 807750014 /nfs/dbraw/zinc/75/00/14/807750014.db2.gz NUGWAMJHQVAJAR-ZDUSSCGKSA-N 2 2 293.415 0.503 20 0 CCADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](CC(C)(C)O)C[C@@H]3C2)cn1 ZINC001252353353 807813732 /nfs/dbraw/zinc/81/37/32/807813732.db2.gz YYKSOVQUPXDINH-CABCVRRESA-N 2 2 292.427 0.945 20 0 CCADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](CC(C)(C)O)C[C@@H]3C2)cn1 ZINC001252353353 807813739 /nfs/dbraw/zinc/81/37/39/807813739.db2.gz YYKSOVQUPXDINH-CABCVRRESA-N 2 2 292.427 0.945 20 0 CCADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](CC(C)(C)O)C[C@@H]3C2)cn1 ZINC001252353353 807813747 /nfs/dbraw/zinc/81/37/47/807813747.db2.gz YYKSOVQUPXDINH-CABCVRRESA-N 2 2 292.427 0.945 20 0 CCADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](CC(C)(C)O)C[C@@H]3C2)cn1 ZINC001252353353 807813755 /nfs/dbraw/zinc/81/37/55/807813755.db2.gz YYKSOVQUPXDINH-CABCVRRESA-N 2 2 292.427 0.945 20 0 CCADLP COC(=O)[C@@H](O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC001252428515 807843845 /nfs/dbraw/zinc/84/38/45/807843845.db2.gz RBVNAFIYAMBROD-RYUDHWBXSA-N 2 2 266.297 0.069 20 0 CCADLP COC(=O)[C@@H](O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC001252428515 807843852 /nfs/dbraw/zinc/84/38/52/807843852.db2.gz RBVNAFIYAMBROD-RYUDHWBXSA-N 2 2 266.297 0.069 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@@H](N(C)C(C)=O)C1 ZINC001253192712 808026153 /nfs/dbraw/zinc/02/61/53/808026153.db2.gz XELBVDZNKVHHRR-KGLIPLIRSA-N 2 2 271.405 0.242 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@@H](N(C)C(C)=O)C1 ZINC001253192712 808026161 /nfs/dbraw/zinc/02/61/61/808026161.db2.gz XELBVDZNKVHHRR-KGLIPLIRSA-N 2 2 271.405 0.242 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+]Cc1cccc(C(N)=O)c1 ZINC001253208466 808032246 /nfs/dbraw/zinc/03/22/46/808032246.db2.gz RFCMGSMBGFGETB-AWEZNQCLSA-N 2 2 279.384 0.578 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+][C@H](CC(C)C)C(N)=O ZINC001253209068 808032530 /nfs/dbraw/zinc/03/25/30/808032530.db2.gz WUUVMXAXWLABMS-VXGBXAGGSA-N 2 2 259.394 0.179 20 0 CCADLP C[C@@H]1C[N@H+](C2CN(C[C@H](O)C[NH2+]C(C)(C)C)C2)C[C@H](C)O1 ZINC001253396662 808057477 /nfs/dbraw/zinc/05/74/77/808057477.db2.gz CALQKFCOULLMTA-VNHYZAJKSA-N 2 2 299.459 0.529 20 0 CCADLP C[C@@H]1C[N@@H+](C2CN(C[C@H](O)C[NH2+]C(C)(C)C)C2)C[C@H](C)O1 ZINC001253396662 808057483 /nfs/dbraw/zinc/05/74/83/808057483.db2.gz CALQKFCOULLMTA-VNHYZAJKSA-N 2 2 299.459 0.529 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C[C@H](O)C(F)(F)F ZINC001253406284 808059620 /nfs/dbraw/zinc/05/96/20/808059620.db2.gz FJNMWTGWQCMVNB-YUMQZZPRSA-N 2 2 258.284 0.248 20 0 CCADLP CC(C)C[C@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)C(N)=O ZINC001253406528 808060719 /nfs/dbraw/zinc/06/07/19/808060719.db2.gz OWZSPQHIULWBOU-QWRGUYRKSA-N 2 2 259.394 0.225 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH+]1C[C@H]2C[NH+](CC)C[C@@H]2C1 ZINC001253801380 808147439 /nfs/dbraw/zinc/14/74/39/808147439.db2.gz YXRTXAGXZCWGQC-UPJWGTAASA-N 2 2 270.373 0.184 20 0 CCADLP C[N@@H+]1CCC[C@@H]([NH+]2CCN3C(=O)OC[C@H]3C2)CC1 ZINC001254524376 808252963 /nfs/dbraw/zinc/25/29/63/808252963.db2.gz BGIBCPQEIJQWHJ-VXGBXAGGSA-N 2 2 253.346 0.607 20 0 CCADLP C[N@H+]1CCC[C@@H]([NH+]2CCN3C(=O)OC[C@H]3C2)CC1 ZINC001254524376 808252968 /nfs/dbraw/zinc/25/29/68/808252968.db2.gz BGIBCPQEIJQWHJ-VXGBXAGGSA-N 2 2 253.346 0.607 20 0 CCADLP C[NH+]1CCC[C@@H]([N@@H+]2CCN3C(=O)OC[C@H]3C2)CC1 ZINC001254524376 808252973 /nfs/dbraw/zinc/25/29/73/808252973.db2.gz BGIBCPQEIJQWHJ-VXGBXAGGSA-N 2 2 253.346 0.607 20 0 CCADLP C[NH+]1CCC[C@@H]([N@H+]2CCN3C(=O)OC[C@H]3C2)CC1 ZINC001254524376 808252978 /nfs/dbraw/zinc/25/29/78/808252978.db2.gz BGIBCPQEIJQWHJ-VXGBXAGGSA-N 2 2 253.346 0.607 20 0 CCADLP NC(=O)C1(C[NH2+][C@@H]2CC3CC[NH+](CC3)C2)CCOCC1 ZINC001254832184 808281738 /nfs/dbraw/zinc/28/17/38/808281738.db2.gz CFDSPDPIPUIXKR-CYBMUJFWSA-N 2 2 281.400 0.342 20 0 CCADLP CN1C[C@H](C[NH2+][C@H]2CC3CC[NH+](CC3)C2)CC1=O ZINC001254840554 808285120 /nfs/dbraw/zinc/28/51/20/808285120.db2.gz IYXPVHGPCGOOBJ-STQMWFEESA-N 2 2 251.374 0.539 20 0 CCADLP CO[C@@H]1C[N@@H+]([C@@H]2CC3CC[NH+](CC3)C2)C[C@@H]1OC ZINC001254853794 808288797 /nfs/dbraw/zinc/28/87/97/808288797.db2.gz RMODTQBJHXYYBM-MCIONIFRSA-N 2 2 254.374 0.816 20 0 CCADLP CO[C@@H]1C[N@H+]([C@@H]2CC3CC[NH+](CC3)C2)C[C@@H]1OC ZINC001254853794 808288804 /nfs/dbraw/zinc/28/88/04/808288804.db2.gz RMODTQBJHXYYBM-MCIONIFRSA-N 2 2 254.374 0.816 20 0 CCADLP CN(C[C@H](O)C[NH2+]C/C=C/Cl)C(=O)Cc1[nH]cc[nH+]1 ZINC001278823725 808294341 /nfs/dbraw/zinc/29/43/41/808294341.db2.gz QFZLZLSTYDVSAE-VMZHVLLKSA-N 2 2 286.763 0.114 20 0 CCADLP O=C1C[C@@H]2CC([NH2+]CCC[NH+](CCO)CCO)C[C@H]2C1 ZINC001254921600 808296212 /nfs/dbraw/zinc/29/62/12/808296212.db2.gz DISBFSLEWQDLMN-STQMWFEESA-N 2 2 284.400 0.010 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](C2CCN(C(=O)C(F)(F)F)CC2)CCO1 ZINC001255969603 808442329 /nfs/dbraw/zinc/44/23/29/808442329.db2.gz DGMDDIMXZCJOKX-JTQLQIEISA-N 2 2 295.305 0.199 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](C2CCN(C(=O)C(F)(F)F)CC2)CCO1 ZINC001255969603 808442332 /nfs/dbraw/zinc/44/23/32/808442332.db2.gz DGMDDIMXZCJOKX-JTQLQIEISA-N 2 2 295.305 0.199 20 0 CCADLP CC(C)=CC[NH+]1CC(O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001278907054 808460842 /nfs/dbraw/zinc/46/08/42/808460842.db2.gz JYGUTUYHROBCAH-CQSZACIVSA-N 2 2 295.427 0.457 20 0 CCADLP CC(C)=CC[NH+]1CC(O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001278907054 808460847 /nfs/dbraw/zinc/46/08/47/808460847.db2.gz JYGUTUYHROBCAH-CQSZACIVSA-N 2 2 295.427 0.457 20 0 CCADLP COCCC1([NH3+])CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001256199933 808477138 /nfs/dbraw/zinc/47/71/38/808477138.db2.gz ZBCVVERJTDNHRW-UHFFFAOYSA-N 3 2 255.406 0.910 20 0 CCADLP C[NH+]1CCC([N@@H+]2CCOC3(CCOCC3)C2)CC1 ZINC001256208409 808480264 /nfs/dbraw/zinc/48/02/64/808480264.db2.gz IJSFNKQHGAMNMT-UHFFFAOYSA-N 2 2 254.374 0.962 20 0 CCADLP C[NH+]1CCC([N@H+]2CCOC3(CCOCC3)C2)CC1 ZINC001256208409 808480269 /nfs/dbraw/zinc/48/02/69/808480269.db2.gz IJSFNKQHGAMNMT-UHFFFAOYSA-N 2 2 254.374 0.962 20 0 CCADLP CCOC(=O)[C@H]1CC[C@@H](NC(=[NH2+])N2CC[NH+](C)CC2)C1 ZINC001257023999 808577847 /nfs/dbraw/zinc/57/78/47/808577847.db2.gz AIHNKDBRAOJYSQ-NWDGAFQWSA-N 2 2 282.388 0.490 20 0 CCADLP CCOC(=O)[C@H]1CC[C@H]([NH+]2CC(N3CC[NH+](C)CC3)C2)C1 ZINC001257070889 808589246 /nfs/dbraw/zinc/58/92/46/808589246.db2.gz PRLTZTFGDPSBDD-KBPBESRZSA-N 2 2 295.427 0.650 20 0 CCADLP [NH3+]Cc1ccc(-n2cc(C[NH+]3CCC(O)CC3)nn2)cc1 ZINC000899722176 815220454 /nfs/dbraw/zinc/22/04/54/815220454.db2.gz QPCFNXSQDSQMQC-UHFFFAOYSA-N 2 2 287.367 0.683 20 0 CCADLP CC(C)[NH+]1CCC([NH2+][C@H]2COCCC23OCCO3)CC1 ZINC001257204866 808596741 /nfs/dbraw/zinc/59/67/41/808596741.db2.gz BQUIAUUUWNYZTH-AWEZNQCLSA-N 2 2 284.400 0.981 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC001262094401 809188703 /nfs/dbraw/zinc/18/87/03/809188703.db2.gz HYWUDUDCBRJSAY-NWDGAFQWSA-N 2 2 263.345 0.456 20 0 CCADLP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(N)ccn1 ZINC001262201754 809240556 /nfs/dbraw/zinc/24/05/56/809240556.db2.gz DRCHZZTUABGSQI-XDTLVQLUSA-N 2 2 250.346 0.506 20 0 CCADLP C=CC(=O)NCC[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001262565867 809345384 /nfs/dbraw/zinc/34/53/84/809345384.db2.gz YDBWGZIHMPBZLQ-HNNXBMFYSA-N 2 2 291.395 0.371 20 0 CCADLP C=CC(=O)NCC[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001262565867 809345392 /nfs/dbraw/zinc/34/53/92/809345392.db2.gz YDBWGZIHMPBZLQ-HNNXBMFYSA-N 2 2 291.395 0.371 20 0 CCADLP C[C@H](Nc1nccnc1C[NH3+])[C@H]1C[N@H+](C)CCO1 ZINC001262687250 809395475 /nfs/dbraw/zinc/39/54/75/809395475.db2.gz IUXKDGRHCVYIAM-GXSJLCMTSA-N 2 2 251.334 0.066 20 0 CCADLP C[C@H](Nc1nccnc1C[NH3+])[C@H]1C[N@@H+](C)CCO1 ZINC001262687250 809395480 /nfs/dbraw/zinc/39/54/80/809395480.db2.gz IUXKDGRHCVYIAM-GXSJLCMTSA-N 2 2 251.334 0.066 20 0 CCADLP [NH3+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001263133314 809456121 /nfs/dbraw/zinc/45/61/21/809456121.db2.gz QSZGUWXCEQIKCJ-RAIGVLPGSA-N 2 2 262.357 0.832 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[C@H]1CSCC[NH2+]1 ZINC001263134262 809456202 /nfs/dbraw/zinc/45/62/02/809456202.db2.gz PHMBLVVODZQXDH-NSHDSACASA-N 2 2 268.386 0.485 20 0 CCADLP C[C@H](OCC1CC1)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001263192450 809476463 /nfs/dbraw/zinc/47/64/63/809476463.db2.gz ZTCYLKHDWGMQRQ-NSHDSACASA-N 2 2 269.389 0.341 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]([NH3+])C1CCC1 ZINC001263198696 809479374 /nfs/dbraw/zinc/47/93/74/809479374.db2.gz HNPOBQRXMQSBAS-QWHCGFSZSA-N 2 2 269.389 0.341 20 0 CCADLP Cc1ccccc1OC[C@H](O)C[NH2+]CC1C[NH+](C)C1 ZINC000379473115 809513167 /nfs/dbraw/zinc/51/31/67/809513167.db2.gz KZXXIVMBIYBZNM-CQSZACIVSA-N 2 2 264.369 0.886 20 0 CCADLP CC(C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001076463473 815300787 /nfs/dbraw/zinc/30/07/87/815300787.db2.gz RJKOCMQCKOOBSD-GXTWGEPZSA-N 2 2 276.384 0.904 20 0 CCADLP CC(C)[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001076463473 815300793 /nfs/dbraw/zinc/30/07/93/815300793.db2.gz RJKOCMQCKOOBSD-GXTWGEPZSA-N 2 2 276.384 0.904 20 0 CCADLP COCC[NH2+][C@H]1C[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001263863080 809592036 /nfs/dbraw/zinc/59/20/36/809592036.db2.gz FKSBEYPSYOMXMO-AULYBMBSSA-N 2 2 280.372 0.473 20 0 CCADLP COCC[NH2+][C@H]1C[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001263863080 809592040 /nfs/dbraw/zinc/59/20/40/809592040.db2.gz FKSBEYPSYOMXMO-AULYBMBSSA-N 2 2 280.372 0.473 20 0 CCADLP CC[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CCF)[NH+](C)C ZINC001264363415 809643636 /nfs/dbraw/zinc/64/36/36/809643636.db2.gz BREQWYRVVRQCIW-NWDGAFQWSA-N 2 2 259.369 0.829 20 0 CCADLP CC[C@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CCF)[NH+](C)C ZINC001264363415 809643637 /nfs/dbraw/zinc/64/36/37/809643637.db2.gz BREQWYRVVRQCIW-NWDGAFQWSA-N 2 2 259.369 0.829 20 0 CCADLP C[N@H+](CCCNC(=O)Cn1cc[nH+]c1)C[C@@H]1CCOC1 ZINC001265076295 809704345 /nfs/dbraw/zinc/70/43/45/809704345.db2.gz RHSCBKZHXRPEED-ZDUSSCGKSA-N 2 2 280.372 0.358 20 0 CCADLP C[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)C[C@@H]1CCOC1 ZINC001265076295 809704350 /nfs/dbraw/zinc/70/43/50/809704350.db2.gz RHSCBKZHXRPEED-ZDUSSCGKSA-N 2 2 280.372 0.358 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCF)C[C@H]32)C1 ZINC001076594153 815316840 /nfs/dbraw/zinc/31/68/40/815316840.db2.gz IZEZGGDDYBLMGG-BFHYXJOUSA-N 2 2 299.390 0.209 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCF)C[C@H]32)C1 ZINC001076594153 815316846 /nfs/dbraw/zinc/31/68/46/815316846.db2.gz IZEZGGDDYBLMGG-BFHYXJOUSA-N 2 2 299.390 0.209 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCF)C[C@H]32)C1 ZINC001076594153 815316852 /nfs/dbraw/zinc/31/68/52/815316852.db2.gz IZEZGGDDYBLMGG-BFHYXJOUSA-N 2 2 299.390 0.209 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCF)C[C@H]32)C1 ZINC001076594153 815316858 /nfs/dbraw/zinc/31/68/58/815316858.db2.gz IZEZGGDDYBLMGG-BFHYXJOUSA-N 2 2 299.390 0.209 20 0 CCADLP CCCC[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001265500399 809792557 /nfs/dbraw/zinc/79/25/57/809792557.db2.gz DTOUROZQHUBOFT-XYPYZODXSA-N 2 2 250.346 0.989 20 0 CCADLP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1ncccn1 ZINC001265815169 809861942 /nfs/dbraw/zinc/86/19/42/809861942.db2.gz QTOXQCFBDKGFIO-CYBMUJFWSA-N 2 2 291.399 0.509 20 0 CCADLP C[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1ncccn1 ZINC001265815169 809861947 /nfs/dbraw/zinc/86/19/47/809861947.db2.gz QTOXQCFBDKGFIO-CYBMUJFWSA-N 2 2 291.399 0.509 20 0 CCADLP C[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1ncccn1 ZINC001265815169 809861953 /nfs/dbraw/zinc/86/19/53/809861953.db2.gz QTOXQCFBDKGFIO-CYBMUJFWSA-N 2 2 291.399 0.509 20 0 CCADLP C[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)Cc1ncccn1 ZINC001265815169 809861956 /nfs/dbraw/zinc/86/19/56/809861956.db2.gz QTOXQCFBDKGFIO-CYBMUJFWSA-N 2 2 291.399 0.509 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001265851355 809875817 /nfs/dbraw/zinc/87/58/17/809875817.db2.gz MYXSSWXDZQBNRG-MNOVXSKESA-N 2 2 268.361 0.092 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCC[C@H]([NH2+]CCCO)C1 ZINC001266072256 809930189 /nfs/dbraw/zinc/93/01/89/809930189.db2.gz VOAZLFAXXMIBJG-RYUDHWBXSA-N 2 2 280.372 0.352 20 0 CCADLP C[C@H]1CN(S(=O)(=O)CC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000396417684 809966696 /nfs/dbraw/zinc/96/66/96/809966696.db2.gz MRSHNJPJWQXNQX-ZDUSSCGKSA-N 2 2 297.424 0.481 20 0 CCADLP C[C@H]1CN(S(=O)(=O)CC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000396417684 809966701 /nfs/dbraw/zinc/96/67/01/809966701.db2.gz MRSHNJPJWQXNQX-ZDUSSCGKSA-N 2 2 297.424 0.481 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1ncc(C)cn1 ZINC001267458421 811321519 /nfs/dbraw/zinc/32/15/19/811321519.db2.gz NZDNHXCMGMSRIJ-UHFFFAOYSA-N 2 2 293.415 0.675 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)CC[NH2+]Cc1ncc(C)cn1 ZINC001267458421 811321529 /nfs/dbraw/zinc/32/15/29/811321529.db2.gz NZDNHXCMGMSRIJ-UHFFFAOYSA-N 2 2 293.415 0.675 20 0 CCADLP C[C@@H](Cc1ccccn1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000694084823 811338577 /nfs/dbraw/zinc/33/85/77/811338577.db2.gz WIXPPWIHRNWSNK-ZDUSSCGKSA-N 2 2 276.384 0.376 20 0 CCADLP N=c1cc(C[NH3+])ccn1-c1ccn2cc(N)[nH+]c2c1 ZINC001167691043 811400190 /nfs/dbraw/zinc/40/01/90/811400190.db2.gz XFRGCKWSUUXTGF-UHFFFAOYSA-N 2 2 254.297 0.645 20 0 CCADLP NC1(c2nc(-c3ccccc3-n3cc[nH+]c3)no2)C[NH2+]C1 ZINC001212127231 815446173 /nfs/dbraw/zinc/44/61/73/815446173.db2.gz YMNGZEYRTCHHMM-UHFFFAOYSA-N 2 2 282.307 0.680 20 0 CCADLP NC1(C(=O)Nc2cc[nH+]c3c2CCC3)CC[NH2+]CC1 ZINC001218621391 811592963 /nfs/dbraw/zinc/59/29/63/811592963.db2.gz UCSDCKZVNSUMPM-UHFFFAOYSA-N 2 2 260.341 0.012 20 0 CCADLP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H]2C[NH2+]CC(F)(F)C2)C1 ZINC001219642802 811691797 /nfs/dbraw/zinc/69/17/97/811691797.db2.gz XXUDJUVKGQUXNT-GARJFASQSA-N 2 2 275.343 0.593 20 0 CCADLP CC[N@H+]1CC[C@@H](C[NH2+]C2CCS(=O)(=O)CC2)C1 ZINC000037644338 811886123 /nfs/dbraw/zinc/88/61/23/811886123.db2.gz FOKBFLOBDQLATC-NSHDSACASA-N 2 2 260.403 0.495 20 0 CCADLP CC[N@@H+]1CC[C@@H](C[NH2+]C2CCS(=O)(=O)CC2)C1 ZINC000037644338 811886119 /nfs/dbraw/zinc/88/61/19/811886119.db2.gz FOKBFLOBDQLATC-NSHDSACASA-N 2 2 260.403 0.495 20 0 CCADLP CC(C)[NH2+]C[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001268008892 811947166 /nfs/dbraw/zinc/94/71/66/811947166.db2.gz DCENHIKJWWKIDQ-NSHDSACASA-N 2 2 252.362 0.713 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000336841886 812229996 /nfs/dbraw/zinc/22/99/96/812229996.db2.gz QIPZDXUSTBVWQP-UKRRQHHQSA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000336841886 812230003 /nfs/dbraw/zinc/23/00/03/812230003.db2.gz QIPZDXUSTBVWQP-UKRRQHHQSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001038935753 812373098 /nfs/dbraw/zinc/37/30/98/812373098.db2.gz PVGGBAJKJWGUDP-RYUDHWBXSA-N 2 2 292.383 0.333 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001038935753 812373109 /nfs/dbraw/zinc/37/31/09/812373109.db2.gz PVGGBAJKJWGUDP-RYUDHWBXSA-N 2 2 292.383 0.333 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCC[C@@H]1C[NH2+]CCF ZINC001268290400 812450265 /nfs/dbraw/zinc/45/02/65/812450265.db2.gz OWHODGOEAMYTBB-MNOVXSKESA-N 2 2 268.336 0.796 20 0 CCADLP CCC[N@H+](C[C@@H](O)COCCOC)[C@H]1CC[NH2+]C1 ZINC000300264032 812525615 /nfs/dbraw/zinc/52/56/15/812525615.db2.gz ZCNMWQNLBCKUCO-QWHCGFSZSA-N 2 2 260.378 0.084 20 0 CCADLP CCC[N@@H+](C[C@@H](O)COCCOC)[C@H]1CC[NH2+]C1 ZINC000300264032 812525621 /nfs/dbraw/zinc/52/56/21/812525621.db2.gz ZCNMWQNLBCKUCO-QWHCGFSZSA-N 2 2 260.378 0.084 20 0 CCADLP COCOc1ccccc1-c1noc([C@H]2C[NH2+]C[C@@H]2[NH3+])n1 ZINC001211755310 812669874 /nfs/dbraw/zinc/66/98/74/812669874.db2.gz GOLBYAARJWSQKT-QWRGUYRKSA-N 2 2 290.323 0.733 20 0 CCADLP COc1cc(-c2noc([C@H]3C[NH2+]C[C@@H]3[NH3+])n2)ccc1F ZINC001211755561 812670251 /nfs/dbraw/zinc/67/02/51/812670251.db2.gz SLZXACMAUKVOBC-WPRPVWTQSA-N 2 2 278.287 0.898 20 0 CCADLP C[C@@H](C[NH2+]CCF)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001268693638 813011766 /nfs/dbraw/zinc/01/17/66/813011766.db2.gz KEHUOHGBMPVKEI-WDEREUQCSA-N 2 2 268.336 0.509 20 0 CCADLP CC(C)=CC[NH+]1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001268891766 813135749 /nfs/dbraw/zinc/13/57/49/813135749.db2.gz HPUNFSJHHOSYDN-UHFFFAOYSA-N 2 2 262.357 0.966 20 0 CCADLP CCC[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001269149011 813239995 /nfs/dbraw/zinc/23/99/95/813239995.db2.gz NJRUQHCLCKGNQO-GFCCVEGCSA-N 2 2 250.346 0.778 20 0 CCADLP COCCC[N@@H+]1CC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001269267071 813297557 /nfs/dbraw/zinc/29/75/57/813297557.db2.gz PVVZRINDBMEVTE-ZDUSSCGKSA-N 2 2 294.399 0.580 20 0 CCADLP COCCC[N@H+]1CC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001269267071 813297562 /nfs/dbraw/zinc/29/75/62/813297562.db2.gz PVVZRINDBMEVTE-ZDUSSCGKSA-N 2 2 294.399 0.580 20 0 CCADLP C[C@@H](CC(=O)NCC1([NH2+]CCCO)CC1)n1cc[nH+]c1 ZINC001269496809 813393229 /nfs/dbraw/zinc/39/32/29/813393229.db2.gz BKTJBNPNXRIULL-LBPRGKRZSA-N 2 2 280.372 0.455 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@](C)(C[NH2+]CCO)C1CC1 ZINC001269637337 813456647 /nfs/dbraw/zinc/45/66/47/813456647.db2.gz CQECUOBTDYRWFS-XHDPSFHLSA-N 2 2 294.399 0.455 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@](C)(C[NH2+]CCO)C1CC1 ZINC001269637337 813456652 /nfs/dbraw/zinc/45/66/52/813456652.db2.gz CQECUOBTDYRWFS-XHDPSFHLSA-N 2 2 294.399 0.455 20 0 CCADLP C[NH+](C)CCN1CCC12CN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001269741350 813487162 /nfs/dbraw/zinc/48/71/62/813487162.db2.gz OTVZRIFORAZFJM-UHFFFAOYSA-N 2 2 291.399 0.191 20 0 CCADLP C[NH+](C)CCN1CCC12CN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001269741350 813487164 /nfs/dbraw/zinc/48/71/64/813487164.db2.gz OTVZRIFORAZFJM-UHFFFAOYSA-N 2 2 291.399 0.191 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](CC[NH2+]CCO)C1 ZINC001269793335 813511094 /nfs/dbraw/zinc/51/10/94/813511094.db2.gz YEXMCVCBCWYKJU-CYBMUJFWSA-N 2 2 294.399 0.471 20 0 CCADLP COCCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC001269971656 813570658 /nfs/dbraw/zinc/57/06/58/813570658.db2.gz IVNVUVVWYKSSMO-QWHCGFSZSA-N 2 2 294.399 0.958 20 0 CCADLP C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]1CCc3[nH+]ccn3C1)C2 ZINC001270515163 813792803 /nfs/dbraw/zinc/79/28/03/813792803.db2.gz JZGNBSHLQKUBAI-AGIUHOORSA-N 2 2 274.368 0.608 20 0 CCADLP C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]1CCc3[nH+]ccn3C1)C2 ZINC001270515163 813792808 /nfs/dbraw/zinc/79/28/08/813792808.db2.gz JZGNBSHLQKUBAI-AGIUHOORSA-N 2 2 274.368 0.608 20 0 CCADLP C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1CCc3[nH+]ccn3C1)C2 ZINC001270515164 813793412 /nfs/dbraw/zinc/79/34/12/813793412.db2.gz JZGNBSHLQKUBAI-UPJWGTAASA-N 2 2 274.368 0.608 20 0 CCADLP C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1CCc3[nH+]ccn3C1)C2 ZINC001270515164 813793415 /nfs/dbraw/zinc/79/34/15/813793415.db2.gz JZGNBSHLQKUBAI-UPJWGTAASA-N 2 2 274.368 0.608 20 0 CCADLP C[C@@H](O)CCC[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001167978287 813882614 /nfs/dbraw/zinc/88/26/14/813882614.db2.gz LFPJVDPZXMLHPF-QWHCGFSZSA-N 2 2 296.415 0.845 20 0 CCADLP C[C@@H](O)CCC[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001167978287 813882623 /nfs/dbraw/zinc/88/26/23/813882623.db2.gz LFPJVDPZXMLHPF-QWHCGFSZSA-N 2 2 296.415 0.845 20 0 CCADLP COC(=O)c1c[nH]c2nc(NCC[NH+](C)C)[nH+]cc12 ZINC001161666510 813891263 /nfs/dbraw/zinc/89/12/63/813891263.db2.gz PVBRGJYDUZVOGY-UHFFFAOYSA-N 2 2 263.301 0.670 20 0 CCADLP COCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001271426968 814415682 /nfs/dbraw/zinc/41/56/82/814415682.db2.gz OFWIRTXARVTBTD-JSGCOSHPSA-N 2 2 294.399 0.815 20 0 CCADLP CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001088151575 814428409 /nfs/dbraw/zinc/42/84/09/814428409.db2.gz KSXLGXMOQJNDDQ-NEPJUHHUSA-N 2 2 262.357 0.752 20 0 CCADLP CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001088151575 814428414 /nfs/dbraw/zinc/42/84/14/814428414.db2.gz KSXLGXMOQJNDDQ-NEPJUHHUSA-N 2 2 262.357 0.752 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](C)O ZINC001029565730 814432363 /nfs/dbraw/zinc/43/23/63/814432363.db2.gz SUMJZGNRZSXRPL-WCFLWFBJSA-N 2 2 292.383 0.317 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)O ZINC001029565730 814432368 /nfs/dbraw/zinc/43/23/68/814432368.db2.gz SUMJZGNRZSXRPL-WCFLWFBJSA-N 2 2 292.383 0.317 20 0 CCADLP C[C@@H]1C[C@@H](n2c[nH+]cc2CCNC(=O)CC[NH3+])CCO1 ZINC001168091039 814628397 /nfs/dbraw/zinc/62/83/97/814628397.db2.gz IRCDIYJCBWJCID-NEPJUHHUSA-N 2 2 280.372 0.631 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCCCC[C@@H]([NH2+]CCO)C1 ZINC001088434451 814685843 /nfs/dbraw/zinc/68/58/43/814685843.db2.gz ZQCJPKMXKKJHPR-CYBMUJFWSA-N 2 2 280.372 0.236 20 0 CCADLP C[C@H]1[C@H]([NH2+]CCF)CCN1C(=O)CCc1[nH+]ccn1C ZINC000986603268 814761260 /nfs/dbraw/zinc/76/12/60/814761260.db2.gz SBLVYGLJSSXLKC-NWDGAFQWSA-N 2 2 282.363 0.901 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001030301933 815967078 /nfs/dbraw/zinc/96/70/78/815967078.db2.gz SNZUJAADRHITNN-OCCSQVGLSA-N 2 2 283.416 0.695 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001030301933 815967083 /nfs/dbraw/zinc/96/70/83/815967083.db2.gz SNZUJAADRHITNN-OCCSQVGLSA-N 2 2 283.416 0.695 20 0 CCADLP CC(C)=CC[NH+]1CC(NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001030346020 815984931 /nfs/dbraw/zinc/98/49/31/815984931.db2.gz OFRQVAXCKDASEN-LSDHHAIUSA-N 2 2 293.411 0.616 20 0 CCADLP CC(C)=CC[NH+]1CC(NC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001030346020 815984936 /nfs/dbraw/zinc/98/49/36/815984936.db2.gz OFRQVAXCKDASEN-LSDHHAIUSA-N 2 2 293.411 0.616 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001030682352 816215112 /nfs/dbraw/zinc/21/51/12/816215112.db2.gz RWPZFHPDPJOOOJ-LLVKDONJSA-N 2 2 288.351 0.783 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC1C[NH+](CCC2CC2)C1 ZINC001030683512 816216773 /nfs/dbraw/zinc/21/67/73/816216773.db2.gz MZDCLZQKYYHZFE-UHFFFAOYSA-N 2 2 262.357 0.792 20 0 CCADLP C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CC1CC1 ZINC001272292186 816279216 /nfs/dbraw/zinc/27/92/16/816279216.db2.gz LNLZTVMNCBTBGI-MJBXVCDLSA-N 2 2 263.385 0.776 20 0 CCADLP C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CC1CC1 ZINC001272292186 816279219 /nfs/dbraw/zinc/27/92/19/816279219.db2.gz LNLZTVMNCBTBGI-MJBXVCDLSA-N 2 2 263.385 0.776 20 0 CCADLP C[NH+]1C[C@H]2C[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CC1CC1 ZINC001272292186 816279223 /nfs/dbraw/zinc/27/92/23/816279223.db2.gz LNLZTVMNCBTBGI-MJBXVCDLSA-N 2 2 263.385 0.776 20 0 CCADLP C[NH+]1C[C@H]2C[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1CC1CC1 ZINC001272292186 816279225 /nfs/dbraw/zinc/27/92/25/816279225.db2.gz LNLZTVMNCBTBGI-MJBXVCDLSA-N 2 2 263.385 0.776 20 0 CCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C[C@H]([NH3+])C(F)F ZINC001121923656 816481837 /nfs/dbraw/zinc/48/18/37/816481837.db2.gz PXWINSZWKUEJEJ-ZJUUUORDSA-N 2 2 263.332 0.960 20 0 CCADLP CC[C@@H](C[NH+]1CC(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1)OC ZINC001030961976 816508028 /nfs/dbraw/zinc/50/80/28/816508028.db2.gz HXSXZIXGIIDPLQ-JSGCOSHPSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@@H](C[NH+]1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1)OC ZINC001030961976 816508031 /nfs/dbraw/zinc/50/80/31/816508031.db2.gz HXSXZIXGIIDPLQ-JSGCOSHPSA-N 2 2 283.416 0.554 20 0 CCADLP COC(=O)c1c[nH+]ccc1NCC1([NH+]2CCCC2)COC1 ZINC001168448135 816555169 /nfs/dbraw/zinc/55/51/69/816555169.db2.gz QEAWTSHNZQDJOJ-UHFFFAOYSA-N 2 2 291.351 0.567 20 0 CCADLP COCC[NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001272573924 816603746 /nfs/dbraw/zinc/60/37/46/816603746.db2.gz NFHFNZDUXAANCW-GFCCVEGCSA-N 2 2 280.372 0.427 20 0 CCADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001031050432 816605770 /nfs/dbraw/zinc/60/57/70/816605770.db2.gz MEQNPQJOMYUCCI-JSGCOSHPSA-N 2 2 283.416 0.431 20 0 CCADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001031050432 816605777 /nfs/dbraw/zinc/60/57/77/816605777.db2.gz MEQNPQJOMYUCCI-JSGCOSHPSA-N 2 2 283.416 0.431 20 0 CCADLP COC[C@@H]1C[NH2+]CCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001122333349 816651348 /nfs/dbraw/zinc/65/13/48/816651348.db2.gz YMZGJILBGYXCDK-RYUDHWBXSA-N 2 2 266.345 0.281 20 0 CCADLP CC(C)[NH+]1CCC(C(=O)NC2C[NH+](C[C@H](C)O)C2)CC1 ZINC001031188475 816767026 /nfs/dbraw/zinc/76/70/26/816767026.db2.gz OJTZADVDAXTFQH-LBPRGKRZSA-N 2 2 283.416 0.288 20 0 CCADLP Oc1cc(F)c(CN2CC[NH2+]C[C@]23CC[NH2+]C3)cc1F ZINC001234986381 816789101 /nfs/dbraw/zinc/78/91/01/816789101.db2.gz CRBARUGZUKSISQ-CQSZACIVSA-N 2 2 283.322 0.808 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC1C[NH+](CCC2CC2)C1 ZINC001031258632 816907873 /nfs/dbraw/zinc/90/78/73/816907873.db2.gz OPNXZVISXIOZAT-UHFFFAOYSA-N 2 2 262.357 0.563 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001031267776 816915623 /nfs/dbraw/zinc/91/56/23/816915623.db2.gz VFIMJBGDWHURGY-LLVKDONJSA-N 2 2 292.383 0.597 20 0 CCADLP CC[C@H](C[NH+]1CC(NC(=O)C[NH+]2CCCC2)C1)OC ZINC001031389389 817022331 /nfs/dbraw/zinc/02/23/31/817022331.db2.gz NRMVJXLBAVYFLQ-CYBMUJFWSA-N 2 2 269.389 0.308 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+](CCC(C)C)C2)C1 ZINC001031415166 817041881 /nfs/dbraw/zinc/04/18/81/817041881.db2.gz RSMCWCMHRNPUSP-CQSZACIVSA-N 2 2 283.416 0.554 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NC2C[NH+](CCC(C)C)C2)C1 ZINC001031415166 817041888 /nfs/dbraw/zinc/04/18/88/817041888.db2.gz RSMCWCMHRNPUSP-CQSZACIVSA-N 2 2 283.416 0.554 20 0 CCADLP CCC(CC)C[NH+]1CC(NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001031419410 817045563 /nfs/dbraw/zinc/04/55/63/817045563.db2.gz ZTFSCVRLMFKGQC-OAHLLOKOSA-N 2 2 297.443 0.944 20 0 CCADLP CCC(CC)C[NH+]1CC(NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001031419410 817045568 /nfs/dbraw/zinc/04/55/68/817045568.db2.gz ZTFSCVRLMFKGQC-OAHLLOKOSA-N 2 2 297.443 0.944 20 0 CCADLP CCOC1CC(C[NH+]2CC(NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001031476260 817072584 /nfs/dbraw/zinc/07/25/84/817072584.db2.gz DSEBWPAAHSGWBI-UHFFFAOYSA-N 2 2 292.383 0.499 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C[C@@H]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1[NH3+] ZINC001236340894 817268838 /nfs/dbraw/zinc/26/88/38/817268838.db2.gz KDCGBXQAFFQLKH-MLGHIDQZSA-N 2 2 270.373 0.622 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C[C@@H]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1[NH3+] ZINC001236340894 817268843 /nfs/dbraw/zinc/26/88/43/817268843.db2.gz KDCGBXQAFFQLKH-MLGHIDQZSA-N 2 2 270.373 0.622 20 0 CCADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)c1nc(-c2ccncc2)no1 ZINC001212315120 817364482 /nfs/dbraw/zinc/36/44/82/817364482.db2.gz RTLQAJSNPOXCNT-LBPRGKRZSA-N 2 2 288.355 0.555 20 0 CCADLP C[C@@H](O)C[NH+]1CC(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001031968169 817505255 /nfs/dbraw/zinc/50/52/55/817505255.db2.gz PLFJPVNHXWSRDA-ZYHUDNBSSA-N 2 2 292.383 0.258 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001124836545 817590252 /nfs/dbraw/zinc/59/02/52/817590252.db2.gz GULSZCUBAVNLOT-LLVKDONJSA-N 2 2 266.345 0.283 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001124836545 817590258 /nfs/dbraw/zinc/59/02/58/817590258.db2.gz GULSZCUBAVNLOT-LLVKDONJSA-N 2 2 266.345 0.283 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001107079342 817716983 /nfs/dbraw/zinc/71/69/83/817716983.db2.gz YQDCEOMEIUPASP-MGPQQGTHSA-N 2 2 294.399 0.602 20 0 CCADLP Cc1nc(NC/C=C\CNC(=O)C[NH+]2CCCC2)cc[nH+]1 ZINC001107203686 817806694 /nfs/dbraw/zinc/80/66/94/817806694.db2.gz ZGZAJIGSMJMUBG-IHWYPQMZSA-N 2 2 289.383 0.965 20 0 CCADLP CC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001054927243 818089395 /nfs/dbraw/zinc/08/93/95/818089395.db2.gz KGKDWTGIVJSXKW-VXGBXAGGSA-N 2 2 264.373 0.809 20 0 CCADLP CC[NH2+][C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001054927239 818090109 /nfs/dbraw/zinc/09/01/09/818090109.db2.gz KGKDWTGIVJSXKW-RYUDHWBXSA-N 2 2 264.373 0.809 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ncnc3scnc32)CC1 ZINC001168735603 818537867 /nfs/dbraw/zinc/53/78/67/818537867.db2.gz BMBSMFNBTJQKQG-UHFFFAOYSA-N 2 2 277.357 0.680 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc3[nH]cnc3n2)CC1 ZINC001168736716 818549946 /nfs/dbraw/zinc/54/99/46/818549946.db2.gz PNIVUYJOYMNQHY-UHFFFAOYSA-N 2 2 259.317 0.552 20 0 CCADLP Cc1c2[nH+]c[nH]c2ccc1N(CC[NH3+])S(C)(=O)=O ZINC001162128342 818579369 /nfs/dbraw/zinc/57/93/69/818579369.db2.gz BUGGIHUFJCXOEV-UHFFFAOYSA-N 2 2 268.342 0.596 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033591572 818841807 /nfs/dbraw/zinc/84/18/07/818841807.db2.gz VHJADJXCGGTXLF-CHWSQXEVSA-N 2 2 294.399 0.530 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033591572 818841814 /nfs/dbraw/zinc/84/18/14/818841814.db2.gz VHJADJXCGGTXLF-CHWSQXEVSA-N 2 2 294.399 0.530 20 0 CCADLP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](CCF)C1 ZINC001033657535 818869840 /nfs/dbraw/zinc/86/98/40/818869840.db2.gz LTTWXMXBUKHUEA-LBPRGKRZSA-N 2 2 257.353 0.584 20 0 CCADLP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](CCF)C1 ZINC001033657535 818869844 /nfs/dbraw/zinc/86/98/44/818869844.db2.gz LTTWXMXBUKHUEA-LBPRGKRZSA-N 2 2 257.353 0.584 20 0 CCADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](CCCF)C1 ZINC001033703834 818892277 /nfs/dbraw/zinc/89/22/77/818892277.db2.gz IYWMGCKQUFUSNM-LBPRGKRZSA-N 2 2 268.336 0.775 20 0 CCADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](CCCF)C1 ZINC001033703834 818892279 /nfs/dbraw/zinc/89/22/79/818892279.db2.gz IYWMGCKQUFUSNM-LBPRGKRZSA-N 2 2 268.336 0.775 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1nonc1C ZINC001128773911 818985906 /nfs/dbraw/zinc/98/59/06/818985906.db2.gz IIJLFCLYABHEOU-CYBMUJFWSA-N 2 2 295.387 0.458 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1nonc1C ZINC001128773911 818985912 /nfs/dbraw/zinc/98/59/12/818985912.db2.gz IIJLFCLYABHEOU-CYBMUJFWSA-N 2 2 295.387 0.458 20 0 CCADLP COC(=O)/C(C)=C\C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000702300854 819093570 /nfs/dbraw/zinc/09/35/70/819093570.db2.gz CKDQUVBHLRJXCN-AHECMASJSA-N 2 2 252.358 0.989 20 0 CCADLP COC(=O)/C(C)=C\C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000702300854 819093573 /nfs/dbraw/zinc/09/35/73/819093573.db2.gz CKDQUVBHLRJXCN-AHECMASJSA-N 2 2 252.358 0.989 20 0 CCADLP COC(=O)/C(C)=C\C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000702300854 819093575 /nfs/dbraw/zinc/09/35/75/819093575.db2.gz CKDQUVBHLRJXCN-AHECMASJSA-N 2 2 252.358 0.989 20 0 CCADLP COC(=O)/C(C)=C\C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000702300854 819093580 /nfs/dbraw/zinc/09/35/80/819093580.db2.gz CKDQUVBHLRJXCN-AHECMASJSA-N 2 2 252.358 0.989 20 0 CCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCN1CCOC1=O)C2 ZINC000702593830 819148497 /nfs/dbraw/zinc/14/84/97/819148497.db2.gz LBFXFKSHIJHLAD-BETUJISGSA-N 2 2 253.346 0.370 20 0 CCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCN1CCOC1=O)C2 ZINC000702593830 819148502 /nfs/dbraw/zinc/14/85/02/819148502.db2.gz LBFXFKSHIJHLAD-BETUJISGSA-N 2 2 253.346 0.370 20 0 CCADLP Cn1nccc1CC[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128967187 819234597 /nfs/dbraw/zinc/23/45/97/819234597.db2.gz FXAJALPEQCRFPD-UHFFFAOYSA-N 2 2 290.371 0.024 20 0 CCADLP Cn1nccc1CC[NH2+]CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001128967187 819234603 /nfs/dbraw/zinc/23/46/03/819234603.db2.gz FXAJALPEQCRFPD-UHFFFAOYSA-N 2 2 290.371 0.024 20 0 CCADLP CCCC[C@@H]([NH2+]CCNC(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001128973180 819247558 /nfs/dbraw/zinc/24/75/58/819247558.db2.gz ULLSGXJYGHEBRE-GFCCVEGCSA-N 2 2 295.387 0.092 20 0 CCADLP CCCC[C@@H]([NH2+]CCNC(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC001128973180 819247563 /nfs/dbraw/zinc/24/75/63/819247563.db2.gz ULLSGXJYGHEBRE-GFCCVEGCSA-N 2 2 295.387 0.092 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]1C[NH2+]CC1CC1 ZINC001035086060 819391961 /nfs/dbraw/zinc/39/19/61/819391961.db2.gz IDRAZMGNRQCZNO-GFCCVEGCSA-N 2 2 262.357 0.943 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]1C[NH2+]CC1CC1 ZINC001035103065 819392776 /nfs/dbraw/zinc/39/27/76/819392776.db2.gz VMPWIBVDQYPKCR-CYBMUJFWSA-N 2 2 276.384 0.953 20 0 CCADLP OC[C@@H]1C[N@H+](C[C@H](O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC000709808981 819810225 /nfs/dbraw/zinc/81/02/25/819810225.db2.gz KMKMCFHRBCKWBO-QJPTWQEYSA-N 2 2 296.333 0.546 20 0 CCADLP OC[C@@H]1C[N@@H+](C[C@H](O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC000709808981 819810234 /nfs/dbraw/zinc/81/02/34/819810234.db2.gz KMKMCFHRBCKWBO-QJPTWQEYSA-N 2 2 296.333 0.546 20 0 CCADLP CCOC(=O)CC(N)=[NH+]c1cccnc1OC1C[NH2+]C1 ZINC001163449232 820081820 /nfs/dbraw/zinc/08/18/20/820081820.db2.gz RMJJNUAUDIDJRV-UHFFFAOYSA-N 2 2 278.312 0.775 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001079992032 820496821 /nfs/dbraw/zinc/49/68/21/820496821.db2.gz WSLBDIUPEPURNL-JHJVBQTASA-N 2 2 276.384 0.902 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001079992032 820496825 /nfs/dbraw/zinc/49/68/25/820496825.db2.gz WSLBDIUPEPURNL-JHJVBQTASA-N 2 2 276.384 0.902 20 0 CCADLP CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H](OC)C1 ZINC001081814347 820846078 /nfs/dbraw/zinc/84/60/78/820846078.db2.gz FHJZFCGNJCLEQS-HBJVGIJOSA-N 2 2 292.383 0.739 20 0 CCADLP CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H](OC)C1 ZINC001081814347 820846088 /nfs/dbraw/zinc/84/60/88/820846088.db2.gz FHJZFCGNJCLEQS-HBJVGIJOSA-N 2 2 292.383 0.739 20 0 CCADLP CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H](OC)C1 ZINC001081871055 820848455 /nfs/dbraw/zinc/84/84/55/820848455.db2.gz VWCPUYBLWWWVGT-YNEHKIRRSA-N 2 2 292.383 0.281 20 0 CCADLP CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H](OC)C1 ZINC001081871055 820848465 /nfs/dbraw/zinc/84/84/65/820848465.db2.gz VWCPUYBLWWWVGT-YNEHKIRRSA-N 2 2 292.383 0.281 20 0 CCADLP CC[C@@H](C)C[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001083997922 821170652 /nfs/dbraw/zinc/17/06/52/821170652.db2.gz PYZHWBJMLXVLIH-HONMWMINSA-N 2 2 294.399 0.468 20 0 CCADLP CC[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001083997922 821170659 /nfs/dbraw/zinc/17/06/59/821170659.db2.gz PYZHWBJMLXVLIH-HONMWMINSA-N 2 2 294.399 0.468 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001084395079 821284410 /nfs/dbraw/zinc/28/44/10/821284410.db2.gz DJWUWWSFNNPFHC-OUCADQQQSA-N 2 2 292.383 0.256 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001084395079 821284418 /nfs/dbraw/zinc/28/44/18/821284418.db2.gz DJWUWWSFNNPFHC-OUCADQQQSA-N 2 2 292.383 0.256 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001084395079 821284426 /nfs/dbraw/zinc/28/44/26/821284426.db2.gz DJWUWWSFNNPFHC-OUCADQQQSA-N 2 2 292.383 0.256 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001084561219 821313662 /nfs/dbraw/zinc/31/36/62/821313662.db2.gz YPYAANAGODXORD-BFHYXJOUSA-N 2 2 292.383 0.187 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001084561219 821313672 /nfs/dbraw/zinc/31/36/72/821313672.db2.gz YPYAANAGODXORD-BFHYXJOUSA-N 2 2 292.383 0.187 20 0 CCADLP C[C@H](CC(=O)N1C[C@H]2CC[N@H+](CCO)C[C@H]21)n1cc[nH+]c1 ZINC001084691995 821352288 /nfs/dbraw/zinc/35/22/88/821352288.db2.gz NVVZTNGPAFUWCJ-MGPQQGTHSA-N 2 2 292.383 0.359 20 0 CCADLP C[C@H](CC(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21)n1cc[nH+]c1 ZINC001084691995 821352299 /nfs/dbraw/zinc/35/22/99/821352299.db2.gz NVVZTNGPAFUWCJ-MGPQQGTHSA-N 2 2 292.383 0.359 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]CCF ZINC001085345760 821664561 /nfs/dbraw/zinc/66/45/61/821664561.db2.gz PJPPIMUQTXRKQI-VXGBXAGGSA-N 2 2 268.336 0.939 20 0 CCADLP CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001273342419 821756811 /nfs/dbraw/zinc/75/68/11/821756811.db2.gz MDRNSCYREQFROA-CYBMUJFWSA-N 2 2 280.372 0.190 20 0 CCADLP [NH3+]Cc1cc(-n2c[nH+]cc2C2CC[NH2+]CC2)ncn1 ZINC001155057383 821987425 /nfs/dbraw/zinc/98/74/25/821987425.db2.gz GDQYVNJUOGITNS-UHFFFAOYSA-N 3 2 258.329 0.588 20 0 CCADLP CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001086126254 822121418 /nfs/dbraw/zinc/12/14/18/822121418.db2.gz WIPDVSDLJVPXTK-UPJWGTAASA-N 2 2 276.384 0.950 20 0 CCADLP COC[C@H]([NH3+])Cc1cn(CCCn2cc[nH+]c2)nn1 ZINC000716359673 822132218 /nfs/dbraw/zinc/13/22/18/822132218.db2.gz OJERIDSHIHMXJN-LLVKDONJSA-N 2 2 264.333 0.081 20 0 CCADLP O=C(NC[C@H]1C[C@H]([NH2+]CCF)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001086392331 822236103 /nfs/dbraw/zinc/23/61/03/822236103.db2.gz IIUQJWNLCLPSSM-DDHJBXDOSA-N 2 2 280.347 0.967 20 0 CCADLP O=C(NC[C@H]1C[C@H]([NH2+]CCF)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001086392331 822236109 /nfs/dbraw/zinc/23/61/09/822236109.db2.gz IIUQJWNLCLPSSM-DDHJBXDOSA-N 2 2 280.347 0.967 20 0 CCADLP CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001108302253 822347583 /nfs/dbraw/zinc/34/75/83/822347583.db2.gz HVJTXSZGNAQBIC-INIZCTEOSA-N 2 2 297.443 0.945 20 0 CCADLP CC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001108302253 822347592 /nfs/dbraw/zinc/34/75/92/822347592.db2.gz HVJTXSZGNAQBIC-INIZCTEOSA-N 2 2 297.443 0.945 20 0 CCADLP COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH]cc[nH+]1 ZINC001114206108 837471937 /nfs/dbraw/zinc/47/19/37/837471937.db2.gz FERDFMSZIYPZFW-YABSGUDNSA-N 2 2 278.356 0.035 20 0 CCADLP COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH]cc[nH+]1 ZINC001114206108 837471941 /nfs/dbraw/zinc/47/19/41/837471941.db2.gz FERDFMSZIYPZFW-YABSGUDNSA-N 2 2 278.356 0.035 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)[C@@H](C2CC2)[NH+](C)C)oc1C ZINC001129435141 837509437 /nfs/dbraw/zinc/50/94/37/837509437.db2.gz BWQOZCUWMPYDDB-CQSZACIVSA-N 2 2 294.399 0.837 20 0 CCADLP CC[C@@H](C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)OC ZINC001129891152 837577176 /nfs/dbraw/zinc/57/71/76/837577176.db2.gz FGWDBJQZUFERBO-QJPTWQEYSA-N 2 2 280.372 0.644 20 0 CCADLP CC[C@@H](C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)OC ZINC001129891152 837577180 /nfs/dbraw/zinc/57/71/80/837577180.db2.gz FGWDBJQZUFERBO-QJPTWQEYSA-N 2 2 280.372 0.644 20 0 CCADLP CCOCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129901006 837582217 /nfs/dbraw/zinc/58/22/17/837582217.db2.gz OTBDJIXBWXAPDP-GHMZBOCLSA-N 2 2 266.345 0.256 20 0 CCADLP CCOCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129901006 837582225 /nfs/dbraw/zinc/58/22/25/837582225.db2.gz OTBDJIXBWXAPDP-GHMZBOCLSA-N 2 2 266.345 0.256 20 0 CCADLP COc1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)nn1 ZINC001157914325 837691029 /nfs/dbraw/zinc/69/10/29/837691029.db2.gz BNJIZCLVEFEADT-UHFFFAOYSA-N 2 2 250.306 0.079 20 0 CCADLP CC[C@H](C(=O)NCC[NH2+]Cc1nnc(C2CC2)[nH]1)[NH+](C)C ZINC001130203768 837725587 /nfs/dbraw/zinc/72/55/87/837725587.db2.gz WYIKNTUICJGOKL-LLVKDONJSA-N 2 2 294.403 0.228 20 0 CCADLP COC[C@H](C)[NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001130268801 837746207 /nfs/dbraw/zinc/74/62/07/837746207.db2.gz JPMFONKVOUNTTI-JTQLQIEISA-N 2 2 276.340 0.917 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccon1 ZINC001130297040 837749613 /nfs/dbraw/zinc/74/96/13/837749613.db2.gz GRXYPBPTLGVTHP-GFCCVEGCSA-N 2 2 266.345 0.365 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccon1 ZINC001130297040 837749625 /nfs/dbraw/zinc/74/96/25/837749625.db2.gz GRXYPBPTLGVTHP-GFCCVEGCSA-N 2 2 266.345 0.365 20 0 CCADLP O=C(NCC[NH2+]CCF)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130405181 837786146 /nfs/dbraw/zinc/78/61/46/837786146.db2.gz YTIIWNPSYGQIPB-SNVBAGLBSA-N 2 2 254.309 0.121 20 0 CCADLP CO[C@@H](C)C[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130405113 837786697 /nfs/dbraw/zinc/78/66/97/837786697.db2.gz XNEUABWSZWQEKN-NWDGAFQWSA-N 2 2 280.372 0.186 20 0 CCADLP CO[C@@H](C)C[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130477518 837800630 /nfs/dbraw/zinc/80/06/30/837800630.db2.gz FPPXWTHWRQZAKF-RYUDHWBXSA-N 2 2 280.372 0.186 20 0 CCADLP CC(C)OCC[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130481648 837804886 /nfs/dbraw/zinc/80/48/86/837804886.db2.gz YEJUKZKJRVXUHA-CYBMUJFWSA-N 2 2 294.399 0.576 20 0 CCADLP CCOCC[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130480693 837806282 /nfs/dbraw/zinc/80/62/82/837806282.db2.gz AIKFIVACZNEECB-LBPRGKRZSA-N 2 2 280.372 0.188 20 0 CCADLP Cn1c[nH+]cc1-c1cccc(-n2nnnc2C[NH3+])c1 ZINC001168924800 836058576 /nfs/dbraw/zinc/05/85/76/836058576.db2.gz VAOMMAKEJDAMMT-UHFFFAOYSA-N 2 2 255.285 0.522 20 0 CCADLP Cc1c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cnc2nccnc12 ZINC001169074530 836127597 /nfs/dbraw/zinc/12/75/97/836127597.db2.gz QRVUJVVGVSXSRG-SNVBAGLBSA-N 2 2 284.323 0.381 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cnc2cc[nH]c2c1 ZINC001169075112 836128940 /nfs/dbraw/zinc/12/89/40/836128940.db2.gz VMTKNWDDSJZDIW-SECBINFHSA-N 2 2 257.297 0.611 20 0 CCADLP Cc1nc2c[nH]cc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)c-2n1 ZINC001169075426 836128952 /nfs/dbraw/zinc/12/89/52/836128952.db2.gz RCHPQBSEICZCGZ-SECBINFHSA-N 2 2 272.312 0.314 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cccc2c1CCN2 ZINC001169075557 836129112 /nfs/dbraw/zinc/12/91/12/836129112.db2.gz SVRPNQANRSDQLV-SNVBAGLBSA-N 2 2 258.325 0.702 20 0 CCADLP Cc1nc2cc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)cnc2o1 ZINC001169076393 836130366 /nfs/dbraw/zinc/13/03/66/836130366.db2.gz RNEDEKWCAYUBRH-SECBINFHSA-N 2 2 273.296 0.579 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CN(c3cnccn3)C1)C2 ZINC001169100127 836132154 /nfs/dbraw/zinc/13/21/54/836132154.db2.gz HBRHFOLPRXZVBN-DEZZGGKRSA-N 2 2 273.384 0.880 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CN(c3cnccn3)C1)C2 ZINC001169100127 836132156 /nfs/dbraw/zinc/13/21/56/836132156.db2.gz HBRHFOLPRXZVBN-DEZZGGKRSA-N 2 2 273.384 0.880 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Nc2cn3cc[nH+]c3cc2C)C[NH2+]1 ZINC001169132496 836148091 /nfs/dbraw/zinc/14/80/91/836148091.db2.gz NQBFAYCIWLDGIL-MNOVXSKESA-N 2 2 274.324 0.958 20 0 CCADLP Cc1ccc(-n2nncc2C[NH3+])c(C[NH+]2CCOCC2)c1 ZINC001169311608 836211682 /nfs/dbraw/zinc/21/16/82/836211682.db2.gz MMOHKJNLAZWDDY-UHFFFAOYSA-N 2 2 287.367 0.867 20 0 CCADLP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@]1(C[NH3+])CN2CCC1CC2 ZINC001169449889 836280920 /nfs/dbraw/zinc/28/09/20/836280920.db2.gz WXTUBMRQXKOSQN-BBRMVZONSA-N 2 2 296.459 0.646 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNc1cnc2c(c1)C[NH2+]CC2 ZINC001169656121 836411380 /nfs/dbraw/zinc/41/13/80/836411380.db2.gz LILHOTPIJLCLFI-CYBMUJFWSA-N 2 2 262.357 0.470 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNc1cnc2c(c1)C[NH2+]CC2 ZINC001169656121 836411383 /nfs/dbraw/zinc/41/13/83/836411383.db2.gz LILHOTPIJLCLFI-CYBMUJFWSA-N 2 2 262.357 0.470 20 0 CCADLP CCOCCC[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157264810 836905294 /nfs/dbraw/zinc/90/52/94/836905294.db2.gz LQTLHLGHGRVSNZ-UHFFFAOYSA-N 2 2 282.388 0.865 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC001113688007 837200899 /nfs/dbraw/zinc/20/08/99/837200899.db2.gz XBCLXWZEBBNYDR-UHFFFAOYSA-N 2 2 293.415 0.368 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC001113688007 837200903 /nfs/dbraw/zinc/20/09/03/837200903.db2.gz XBCLXWZEBBNYDR-UHFFFAOYSA-N 2 2 293.415 0.368 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N1CC[NH+](CCCO)CC1 ZINC001113724127 837205832 /nfs/dbraw/zinc/20/58/32/837205832.db2.gz JUGPHAJUIPAKJP-UHFFFAOYSA-N 2 2 280.372 0.190 20 0 CCADLP CN(CC[NH3+])CCNc1cc[nH+]c(OC2CCOCC2)c1 ZINC001170505586 837863368 /nfs/dbraw/zinc/86/33/68/837863368.db2.gz YAGRAGYBXJPUKC-UHFFFAOYSA-N 2 2 294.399 0.942 20 0 CCADLP CC[C@H](F)C[NH2+]CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001130645341 837882713 /nfs/dbraw/zinc/88/27/13/837882713.db2.gz HRNXKHSJXWSGSY-JTQLQIEISA-N 2 2 286.351 0.804 20 0 CCADLP Cn1ccnc1C[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001130868096 837946678 /nfs/dbraw/zinc/94/66/78/837946678.db2.gz ZDUWXHAJERZSGQ-UHFFFAOYSA-N 2 2 298.350 0.587 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC001158231908 838001631 /nfs/dbraw/zinc/00/16/31/838001631.db2.gz SMAKRFSUMUCQGX-MELADBBJSA-N 3 2 274.368 0.222 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)Cn2c[nH+]cc2C)o1 ZINC001131377219 838076289 /nfs/dbraw/zinc/07/62/89/838076289.db2.gz MCVCYWCRZGQAJI-UHFFFAOYSA-N 2 2 291.355 0.648 20 0 CCADLP COC(=O)c1c(OC)cc[nH+]c1N[C@H](C)[C@@H]1C[NH2+]CCO1 ZINC001170564655 838116077 /nfs/dbraw/zinc/11/60/77/838116077.db2.gz QYQIJAPIPZCVHZ-KOLCDFICSA-N 2 2 295.339 0.666 20 0 CCADLP Cc1cc(C)c(C(=O)NCC[NH2+]C[C@H](C)O)c(C)[nH+]1 ZINC001131560523 838142033 /nfs/dbraw/zinc/14/20/33/838142033.db2.gz RHSSMYDFSPOWKS-NSHDSACASA-N 2 2 265.357 0.707 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@H+]1CCO ZINC001132028821 838305518 /nfs/dbraw/zinc/30/55/18/838305518.db2.gz BYVYHWKMUURHRZ-NEPJUHHUSA-N 2 2 280.372 0.304 20 0 CCADLP Cc1cncc(C[NH2+]CCNC(=O)CCn2cc[nH+]c2)c1 ZINC001132079711 838312628 /nfs/dbraw/zinc/31/26/28/838312628.db2.gz JFEAPJLYIDPSJB-UHFFFAOYSA-N 2 2 287.367 0.883 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C[N@@H+]1CCO ZINC001132456550 838402768 /nfs/dbraw/zinc/40/27/68/838402768.db2.gz GLWTXUOZQFKKPN-CHWSQXEVSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C[N@H+]1CCO ZINC001132456550 838402775 /nfs/dbraw/zinc/40/27/75/838402775.db2.gz GLWTXUOZQFKKPN-CHWSQXEVSA-N 2 2 294.399 0.314 20 0 CCADLP COCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001133135623 838559548 /nfs/dbraw/zinc/55/95/48/838559548.db2.gz UYPUQIVDVLKIPS-QWHCGFSZSA-N 2 2 294.399 0.673 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)o1 ZINC001133870968 838763309 /nfs/dbraw/zinc/76/33/09/838763309.db2.gz YAPPMMYLFARFEK-WDEREUQCSA-N 2 2 295.387 0.036 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)o1 ZINC001133870968 838763318 /nfs/dbraw/zinc/76/33/18/838763318.db2.gz YAPPMMYLFARFEK-WDEREUQCSA-N 2 2 295.387 0.036 20 0 CCADLP CC[C@@H](C(=O)NCC[NH2+]Cc1nc(C(C)C)no1)[NH+](C)C ZINC001133983072 838803971 /nfs/dbraw/zinc/80/39/71/838803971.db2.gz XXPURKYIYVWUAF-NSHDSACASA-N 2 2 297.403 0.739 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]Cc1cccnc1 ZINC001134406861 838962011 /nfs/dbraw/zinc/96/20/11/838962011.db2.gz FPDDYNPHDSXTLO-UHFFFAOYSA-N 2 2 259.313 0.253 20 0 CCADLP COCCOCC[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001134498558 838995131 /nfs/dbraw/zinc/99/51/31/838995131.db2.gz JIRGCVWEMCSUTC-ZDUSSCGKSA-N 2 2 298.387 0.203 20 0 CCADLP CC[C@H](C[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1)OC ZINC001134498659 838995250 /nfs/dbraw/zinc/99/52/50/838995250.db2.gz MKLGLUCDVAYAJW-CHWSQXEVSA-N 2 2 282.388 0.965 20 0 CCADLP COC[C@@H](C)[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001134517965 839001997 /nfs/dbraw/zinc/00/19/97/839001997.db2.gz YFBLQYNBJHQSBO-VXGBXAGGSA-N 2 2 268.361 0.575 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CCO ZINC001134732797 839065723 /nfs/dbraw/zinc/06/57/23/839065723.db2.gz OGTSBMZWMJYJFT-NWDGAFQWSA-N 2 2 295.383 0.498 20 0 CCADLP C[NH+]1CCC(CC(=O)NCC[NH2+]Cc2cnsn2)CC1 ZINC001134780758 839073137 /nfs/dbraw/zinc/07/31/37/839073137.db2.gz VKBLIGFSGZZSKC-UHFFFAOYSA-N 2 2 297.428 0.476 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1ncccn1 ZINC001135508603 839264447 /nfs/dbraw/zinc/26/44/47/839264447.db2.gz SPSOWCISYZCZIL-UHFFFAOYSA-N 2 2 265.361 0.024 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1ccon1 ZINC001135508595 839264720 /nfs/dbraw/zinc/26/47/20/839264720.db2.gz SFHDHYWEZVDWSJ-UHFFFAOYSA-N 2 2 254.334 0.222 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CCOc1ccccc1 ZINC001135766529 839388727 /nfs/dbraw/zinc/38/87/27/839388727.db2.gz XEZBAIZJADDGOF-UHFFFAOYSA-N 2 2 288.351 0.737 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CCOCC(F)(F)F ZINC001135766321 839389598 /nfs/dbraw/zinc/38/95/98/839389598.db2.gz POXBYPNAMKAKNL-UHFFFAOYSA-N 2 2 294.277 0.237 20 0 CCADLP CCn1cc(CC[NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC001135757785 839391059 /nfs/dbraw/zinc/39/10/59/839391059.db2.gz PMHKYWJCBRZEBF-UHFFFAOYSA-N 2 2 290.371 0.117 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]Cc1ccsc1 ZINC001135757591 839392790 /nfs/dbraw/zinc/39/27/90/839392790.db2.gz GUIXQWBTCGQNKA-UHFFFAOYSA-N 2 2 264.354 0.920 20 0 CCADLP CC[C@@H](C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1)OC ZINC001135758078 839394948 /nfs/dbraw/zinc/39/49/48/839394948.db2.gz XSICVLIFQRKKQI-JTQLQIEISA-N 2 2 254.334 0.083 20 0 CCADLP COCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135798493 839418619 /nfs/dbraw/zinc/41/86/19/839418619.db2.gz HSALAYDGRSFIDY-QWRGUYRKSA-N 2 2 268.361 0.472 20 0 CCADLP CC[C@]([NH3+])(CO)Nc1cc(N2CCOCC2)[nH+]c(C)n1 ZINC001170854563 839422690 /nfs/dbraw/zinc/42/26/90/839422690.db2.gz GCLOXNXDBYBFCJ-CYBMUJFWSA-N 2 2 281.360 0.091 20 0 CCADLP CC[C@@]([NH3+])(CO)Nc1cc[nH+]c(N2CCCC2)n1 ZINC001170858251 839443476 /nfs/dbraw/zinc/44/34/76/839443476.db2.gz KNQWQMIWIIWJIR-LBPRGKRZSA-N 2 2 251.334 0.546 20 0 CCADLP C[C@H](C[C@H](C)[NH2+]CCF)NC(=O)Cc1c[nH+]cn1C ZINC001135944341 839475926 /nfs/dbraw/zinc/47/59/26/839475926.db2.gz INJVNBOXAWHNGL-WDEREUQCSA-N 2 2 270.352 0.805 20 0 CCADLP [NH3+]CCC[C@@H]([NH3+])Nc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001170900244 839548866 /nfs/dbraw/zinc/54/88/66/839548866.db2.gz QQULMJLFTMRFGZ-ZDUSSCGKSA-N 4 2 274.372 0.457 20 0 CCADLP C([NH2+][C@H]1CCC[NH2+]CC1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001246127694 839633825 /nfs/dbraw/zinc/63/38/25/839633825.db2.gz OXKVFMMOBQJTFJ-KBPBESRZSA-N 3 2 266.433 0.592 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[N@@H+](CCC2CC2)C[C@H]1O ZINC001090600977 839664720 /nfs/dbraw/zinc/66/47/20/839664720.db2.gz NOXKKXUMRIWOHM-UONOGXRCSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[N@H+](CCC2CC2)C[C@H]1O ZINC001090600977 839664728 /nfs/dbraw/zinc/66/47/28/839664728.db2.gz NOXKKXUMRIWOHM-UONOGXRCSA-N 2 2 292.383 0.304 20 0 CCADLP CCOC(=O)CN(CC[NH3+])c1ccn2cc(N)[nH+]c2c1 ZINC001170993991 839674445 /nfs/dbraw/zinc/67/44/45/839674445.db2.gz HSIYJIFMYMVNKO-UHFFFAOYSA-N 2 2 277.328 0.245 20 0 CCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C[NH2+]CCF ZINC001185789832 844460360 /nfs/dbraw/zinc/46/03/60/844460360.db2.gz VVEMDUGNGWAHAV-CHWSQXEVSA-N 2 2 282.363 0.927 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[N@@H+](CCC2CC2)C[C@H]1O ZINC001090677796 839732901 /nfs/dbraw/zinc/73/29/01/839732901.db2.gz BJXCZXUHCKQVLP-CHWSQXEVSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[N@H+](CCC2CC2)C[C@H]1O ZINC001090677796 839732910 /nfs/dbraw/zinc/73/29/10/839732910.db2.gz BJXCZXUHCKQVLP-CHWSQXEVSA-N 2 2 292.383 0.304 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)C[NH2+]1 ZINC001246257845 839744522 /nfs/dbraw/zinc/74/45/22/839744522.db2.gz VDNLKNMBCTUFRP-ZOBORPQBSA-N 3 2 253.390 0.628 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CC(C)C)C[C@H]1O ZINC001090763562 839785601 /nfs/dbraw/zinc/78/56/01/839785601.db2.gz JHYAWFYWTXYZLW-GXTWGEPZSA-N 2 2 294.399 0.468 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CC(C)C)C[C@H]1O ZINC001090763562 839785610 /nfs/dbraw/zinc/78/56/10/839785610.db2.gz JHYAWFYWTXYZLW-GXTWGEPZSA-N 2 2 294.399 0.468 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](O)C1 ZINC001090763808 839786229 /nfs/dbraw/zinc/78/62/29/839786229.db2.gz MGAJPQWVLNPHAO-DGCLKSJQSA-N 2 2 280.372 0.222 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](O)C1 ZINC001090763808 839786236 /nfs/dbraw/zinc/78/62/36/839786236.db2.gz MGAJPQWVLNPHAO-DGCLKSJQSA-N 2 2 280.372 0.222 20 0 CCADLP COCCCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001185925901 844476223 /nfs/dbraw/zinc/47/62/23/844476223.db2.gz QWCNLOZRBGJPEO-GFCCVEGCSA-N 2 2 280.372 0.569 20 0 CCADLP CC[C@@]1(C(=O)OC)C[C@H](N[C@H]2CCCC[C@H]2[NH3+])C[NH2+]1 ZINC001246478048 839866091 /nfs/dbraw/zinc/86/60/91/839866091.db2.gz MVRJHMZABYBHGL-OPDFLTKYSA-N 2 2 269.389 0.530 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H](N[C@@H]2C[NH2+]C[C@H](C)C2)C[NH2+]1 ZINC001246497709 839876680 /nfs/dbraw/zinc/87/66/80/839876680.db2.gz PLYDCLFNVJKVNZ-OWTLIXCDSA-N 2 2 269.389 0.258 20 0 CCADLP C[C@@H](O)C[NH2+]CCCC[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171153007 839985524 /nfs/dbraw/zinc/98/55/24/839985524.db2.gz VOICWDRHFVEEQP-CHWSQXEVSA-N 2 2 296.415 0.988 20 0 CCADLP C[C@@H](O)C[NH2+]CCCC[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171153007 839985532 /nfs/dbraw/zinc/98/55/32/839985532.db2.gz VOICWDRHFVEEQP-CHWSQXEVSA-N 2 2 296.415 0.988 20 0 CCADLP [NH3+][C@H]1NC(CN2C[C@H]([NH3+])CC(F)(F)C2)=CS1 ZINC001206117602 839986385 /nfs/dbraw/zinc/98/63/85/839986385.db2.gz ROBHPJLAFGFDCJ-SVRRBLITSA-N 2 2 250.318 0.075 20 0 CCADLP O=C(NCC1CC([NH2+]CCF)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001091106857 840050680 /nfs/dbraw/zinc/05/06/80/840050680.db2.gz WEADUAZMAVFRQR-CPCZMJQVSA-N 2 2 294.374 0.899 20 0 CCADLP OCCC[NH+]1CCN(Cc2[nH+]cn3ccccc23)CC1 ZINC001144616526 840103621 /nfs/dbraw/zinc/10/36/21/840103621.db2.gz QTFCGLGHRLQZCT-UHFFFAOYSA-N 2 2 274.368 0.834 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]C/C=C/Cl ZINC001171244937 840187874 /nfs/dbraw/zinc/18/78/74/840187874.db2.gz WCNSRAKHBWAQAD-DUXPYHPUSA-N 2 2 270.764 0.811 20 0 CCADLP CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001186222184 844521558 /nfs/dbraw/zinc/52/15/58/844521558.db2.gz WBYOGEGSYAGCLB-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001186222184 844521562 /nfs/dbraw/zinc/52/15/62/844521562.db2.gz WBYOGEGSYAGCLB-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]C[C@@H]1CC[C@H](C)O1 ZINC001149123224 840324271 /nfs/dbraw/zinc/32/42/71/840324271.db2.gz IWZFRVQFIPKBRT-JQWIXIFHSA-N 2 2 280.372 0.534 20 0 CCADLP COC(=O)[C@H]([NH3+])C1CC[NH+]([C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246860676 840329633 /nfs/dbraw/zinc/32/96/33/840329633.db2.gz ADIYMBKOMZYQRX-RAIGVLPGSA-N 3 2 269.389 0.339 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCN(c3cncnc3)CC2)CC[NH2+]1 ZINC001246866929 840355733 /nfs/dbraw/zinc/35/57/33/840355733.db2.gz GLYXXECKZSHZAC-OLZOCXBDSA-N 2 2 261.373 0.739 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CC[C@H]1CCCCO1 ZINC001147871780 840709274 /nfs/dbraw/zinc/70/92/74/840709274.db2.gz LOWUFEQIJPOUCO-CQSZACIVSA-N 2 2 294.399 0.628 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)CCCCCC[NH3+] ZINC000037008703 841368560 /nfs/dbraw/zinc/36/85/60/841368560.db2.gz VLQABMGYVWEFAS-ZDUSSCGKSA-N 2 2 271.405 0.733 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]2[C@H](CC[N@H+]2CCF)C1 ZINC001036851815 841395332 /nfs/dbraw/zinc/39/53/32/841395332.db2.gz RYVZFXSUPZQOMK-NEPJUHHUSA-N 2 2 280.347 0.845 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]2[C@H](CC[N@@H+]2CCF)C1 ZINC001036851815 841395339 /nfs/dbraw/zinc/39/53/39/841395339.db2.gz RYVZFXSUPZQOMK-NEPJUHHUSA-N 2 2 280.347 0.845 20 0 CCADLP Cc1nc(NCCNC(=O)C[C@@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001093750314 841450363 /nfs/dbraw/zinc/45/03/63/841450363.db2.gz VQVWWHJGBKQUDG-LBPRGKRZSA-N 2 2 277.372 0.655 20 0 CCADLP Cc1nc(NCCNC(=O)C[C@@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001093750314 841450369 /nfs/dbraw/zinc/45/03/69/841450369.db2.gz VQVWWHJGBKQUDG-LBPRGKRZSA-N 2 2 277.372 0.655 20 0 CCADLP CC[N@@H+](C)CCC(=O)NCCNc1cc[nH+]c(C)n1 ZINC001093840037 841473738 /nfs/dbraw/zinc/47/37/38/841473738.db2.gz BEAYQUDVEHBSFN-UHFFFAOYSA-N 2 2 265.361 0.655 20 0 CCADLP CC[N@H+](C)CCC(=O)NCCNc1cc[nH+]c(C)n1 ZINC001093840037 841473733 /nfs/dbraw/zinc/47/37/33/841473733.db2.gz BEAYQUDVEHBSFN-UHFFFAOYSA-N 2 2 265.361 0.655 20 0 CCADLP Cc1nc(NC2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)cc[nH+]1 ZINC001110150990 841488937 /nfs/dbraw/zinc/48/89/37/841488937.db2.gz OVFWFMKTOHLMRI-LBPRGKRZSA-N 2 2 289.383 0.797 20 0 CCADLP Cc1nc(NC2(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)cc[nH+]1 ZINC001110150990 841488939 /nfs/dbraw/zinc/48/89/39/841488939.db2.gz OVFWFMKTOHLMRI-LBPRGKRZSA-N 2 2 289.383 0.797 20 0 CCADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173729336 842160750 /nfs/dbraw/zinc/16/07/50/842160750.db2.gz DOFNCLBNUGHRGK-UTUOFQBUSA-N 2 2 252.366 0.697 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001176675593 842397598 /nfs/dbraw/zinc/39/75/98/842397598.db2.gz KMLAPKATBHJWAB-AWEZNQCLSA-N 2 2 283.416 0.602 20 0 CCADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cnnn2C)cn1 ZINC001177363492 842566109 /nfs/dbraw/zinc/56/61/09/842566109.db2.gz USMAXMBEFAHTBW-UHFFFAOYSA-N 2 2 283.339 0.994 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]CC[C@@H]1CCCO1 ZINC001177405235 842579154 /nfs/dbraw/zinc/57/91/54/842579154.db2.gz LPBBQTZVOXIDRQ-ZDUSSCGKSA-N 2 2 280.372 0.548 20 0 CCADLP CCn1ccnc1C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177411370 842585589 /nfs/dbraw/zinc/58/55/89/842585589.db2.gz MESATTJNLCBXJY-UHFFFAOYSA-N 2 2 290.371 0.396 20 0 CCADLP C[C@H](C(=O)N1C[C@H]2CCC[N@H+](C)[C@H]2C1)n1cc[nH+]c1 ZINC001177925459 842711030 /nfs/dbraw/zinc/71/10/30/842711030.db2.gz JQYCANFCQAKEAP-UPJWGTAASA-N 2 2 262.357 0.997 20 0 CCADLP C[C@H](C(=O)N1C[C@H]2CCC[N@@H+](C)[C@H]2C1)n1cc[nH+]c1 ZINC001177925459 842711035 /nfs/dbraw/zinc/71/10/35/842711035.db2.gz JQYCANFCQAKEAP-UPJWGTAASA-N 2 2 262.357 0.997 20 0 CCADLP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)O1 ZINC001177997947 842720605 /nfs/dbraw/zinc/72/06/05/842720605.db2.gz HPNKRUGWVQFVDM-GYSYKLTISA-N 2 2 296.371 0.183 20 0 CCADLP NC(=O)C[NH2+]CCCCCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001178649680 842892644 /nfs/dbraw/zinc/89/26/44/842892644.db2.gz UUEHXGXBTRHWPO-UHFFFAOYSA-N 2 2 295.387 0.094 20 0 CCADLP NC(=O)C[NH2+]CCCCCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001178649680 842892653 /nfs/dbraw/zinc/89/26/53/842892653.db2.gz UUEHXGXBTRHWPO-UHFFFAOYSA-N 2 2 295.387 0.094 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001178697307 842903046 /nfs/dbraw/zinc/90/30/46/842903046.db2.gz GBXHQXXVCDGNBI-ZDUSSCGKSA-N 2 2 281.400 0.452 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001178697307 842903054 /nfs/dbraw/zinc/90/30/54/842903054.db2.gz GBXHQXXVCDGNBI-ZDUSSCGKSA-N 2 2 281.400 0.452 20 0 CCADLP Cn1nccc1C[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001206355718 842940469 /nfs/dbraw/zinc/94/04/69/842940469.db2.gz YMGYRIWCCZMCHZ-UHFFFAOYSA-N 2 2 251.378 0.099 20 0 CCADLP Cn1nccc1C[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001206355718 842940476 /nfs/dbraw/zinc/94/04/76/842940476.db2.gz YMGYRIWCCZMCHZ-UHFFFAOYSA-N 2 2 251.378 0.099 20 0 CCADLP CCOCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001179617755 843028592 /nfs/dbraw/zinc/02/85/92/843028592.db2.gz OVCTUZYRBIYEAL-JSGCOSHPSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@@H]([NH2+]CCCCCCNC(=O)Cc1c[nH]c[nH+]1)C(N)=O ZINC001179689820 843035305 /nfs/dbraw/zinc/03/53/05/843035305.db2.gz MGEFSVWLUOXSDT-LLVKDONJSA-N 2 2 295.387 0.092 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001179929623 843083616 /nfs/dbraw/zinc/08/36/16/843083616.db2.gz RMBWUHFNWCCDCV-AAEUAGOBSA-N 2 2 280.372 0.188 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C[NH+](C)C1CCCC1 ZINC001180630930 843236863 /nfs/dbraw/zinc/23/68/63/843236863.db2.gz SCJDXNSVFVCTEA-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C[NH+](C)C1CCCC1 ZINC001180630930 843236856 /nfs/dbraw/zinc/23/68/56/843236856.db2.gz SCJDXNSVFVCTEA-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)C[N@H+](C)C1CCCC1 ZINC001180630930 843236874 /nfs/dbraw/zinc/23/68/74/843236874.db2.gz SCJDXNSVFVCTEA-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)C[N@@H+](C)C1CCCC1 ZINC001180630930 843236887 /nfs/dbraw/zinc/23/68/87/843236887.db2.gz SCJDXNSVFVCTEA-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)Cc1cc[nH+]c(N)c1 ZINC001181249440 843427759 /nfs/dbraw/zinc/42/77/59/843427759.db2.gz ZHZBLSWRNWAPOM-LLVKDONJSA-N 2 2 298.350 0.647 20 0 CCADLP COc1ccc(F)cc1C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206468395 843639786 /nfs/dbraw/zinc/63/97/86/843639786.db2.gz HPEKCGTZRFALCB-CMPLNLGQSA-N 2 2 254.305 0.586 20 0 CCADLP COc1ccc(F)cc1C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206468395 843639791 /nfs/dbraw/zinc/63/97/91/843639791.db2.gz HPEKCGTZRFALCB-CMPLNLGQSA-N 2 2 254.305 0.586 20 0 CCADLP Cc1c[nH]c(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)[nH+]1 ZINC001182016337 843694102 /nfs/dbraw/zinc/69/41/02/843694102.db2.gz FMXLEVGMBWKQFP-GFCCVEGCSA-N 2 2 262.357 0.719 20 0 CCADLP COCCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001183116797 843964897 /nfs/dbraw/zinc/96/48/97/843964897.db2.gz SKODZJOXHZLZOT-CYBMUJFWSA-N 2 2 280.372 0.569 20 0 CCADLP COCCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001183116797 843964898 /nfs/dbraw/zinc/96/48/98/843964898.db2.gz SKODZJOXHZLZOT-CYBMUJFWSA-N 2 2 280.372 0.569 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001187092067 844649430 /nfs/dbraw/zinc/64/94/30/844649430.db2.gz NLQUTRYANKJHRO-NWDGAFQWSA-N 2 2 280.372 0.188 20 0 CCADLP CCOCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001187091140 844650340 /nfs/dbraw/zinc/65/03/40/844650340.db2.gz GKIRVYAYEWRCSS-GFCCVEGCSA-N 2 2 280.372 0.190 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001187092594 844650464 /nfs/dbraw/zinc/65/04/64/844650464.db2.gz XUMNSGVBCLKSBC-VXGBXAGGSA-N 2 2 280.372 0.188 20 0 CCADLP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC001187299224 844700642 /nfs/dbraw/zinc/70/06/42/844700642.db2.gz WTHUFIBLFACTCP-GFCCVEGCSA-N 2 2 295.387 0.492 20 0 CCADLP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC001187299224 844700644 /nfs/dbraw/zinc/70/06/44/844700644.db2.gz WTHUFIBLFACTCP-GFCCVEGCSA-N 2 2 295.387 0.492 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001188369359 844874015 /nfs/dbraw/zinc/87/40/15/844874015.db2.gz WGNZECHPTZRSLA-VXGBXAGGSA-N 2 2 266.345 0.109 20 0 CCADLP C[N@H+](CCCO)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001191632520 845698682 /nfs/dbraw/zinc/69/86/82/845698682.db2.gz KOSPFCJKQCZSON-ZDUSSCGKSA-N 2 2 280.372 0.188 20 0 CCADLP C[N@@H+](CCCO)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001191632520 845698688 /nfs/dbraw/zinc/69/86/88/845698688.db2.gz KOSPFCJKQCZSON-ZDUSSCGKSA-N 2 2 280.372 0.188 20 0 CCADLP Cc1conc1C[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192171440 845796191 /nfs/dbraw/zinc/79/61/91/845796191.db2.gz VNVDXAMHFVPZHN-ZDUSSCGKSA-N 2 2 294.399 0.967 20 0 CCADLP Cc1conc1C[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192171440 845796196 /nfs/dbraw/zinc/79/61/96/845796196.db2.gz VNVDXAMHFVPZHN-ZDUSSCGKSA-N 2 2 294.399 0.967 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]([N@H+](C)CCCO)C1 ZINC001192779929 845907741 /nfs/dbraw/zinc/90/77/41/845907741.db2.gz 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CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC001044880228 851172126 /nfs/dbraw/zinc/17/21/26/851172126.db2.gz YTXBEFWEXIPXGV-RYUDHWBXSA-N 2 2 250.346 0.872 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@]2(C)CC[NH+](CC3CC3)C2)C1 ZINC001046216493 851428007 /nfs/dbraw/zinc/42/80/07/851428007.db2.gz BNJVMJKGAQSRDD-DZGCQCFKSA-N 2 2 281.400 0.308 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N[C@]2(C)CC[NH+](CC3CC3)C2)C1 ZINC001046216493 851428012 /nfs/dbraw/zinc/42/80/12/851428012.db2.gz BNJVMJKGAQSRDD-DZGCQCFKSA-N 2 2 281.400 0.308 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@]2(C)CC[N@H+](CC3CC3)C2)C1 ZINC001046216493 851428020 /nfs/dbraw/zinc/42/80/20/851428020.db2.gz BNJVMJKGAQSRDD-DZGCQCFKSA-N 2 2 281.400 0.308 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@]2(C)CC[N@@H+](CC3CC3)C2)C1 ZINC001046216493 851428027 /nfs/dbraw/zinc/42/80/27/851428027.db2.gz BNJVMJKGAQSRDD-DZGCQCFKSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@H](CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1)Cn1cc[nH+]c1 ZINC000900789134 851513053 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276.384 0.763 20 0 CCADLP CC[N@@H+]1C[C@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@H]2C1 ZINC001048954356 852119214 /nfs/dbraw/zinc/11/92/14/852119214.db2.gz OAMDQGIYADOGAD-BETUJISGSA-N 2 2 276.384 0.763 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCO ZINC001049447185 852278471 /nfs/dbraw/zinc/27/84/71/852278471.db2.gz MLKOLPOQQZHYNJ-STQMWFEESA-N 2 2 292.383 0.400 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCO ZINC001049447185 852278478 /nfs/dbraw/zinc/27/84/78/852278478.db2.gz MLKOLPOQQZHYNJ-STQMWFEESA-N 2 2 292.383 0.400 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCO ZINC001049751342 852366037 /nfs/dbraw/zinc/36/60/37/852366037.db2.gz TZBUMUOMWORHEX-OLZOCXBDSA-N 2 2 278.356 0.010 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCO ZINC001049751342 852366042 /nfs/dbraw/zinc/36/60/42/852366042.db2.gz TZBUMUOMWORHEX-OLZOCXBDSA-N 2 2 278.356 0.010 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCF)C1 ZINC001096912248 852464270 /nfs/dbraw/zinc/46/42/70/852464270.db2.gz DALFUFOLOUIOIX-MQYQWHSLSA-N 2 2 299.390 0.398 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCF)C1 ZINC001096912248 852464275 /nfs/dbraw/zinc/46/42/75/852464275.db2.gz DALFUFOLOUIOIX-MQYQWHSLSA-N 2 2 299.390 0.398 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCF)C1 ZINC001096912248 852464279 /nfs/dbraw/zinc/46/42/79/852464279.db2.gz DALFUFOLOUIOIX-MQYQWHSLSA-N 2 2 299.390 0.398 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCC[N@@H+](CCCO)CC1 ZINC001052823636 852659004 /nfs/dbraw/zinc/65/90/04/852659004.db2.gz KXUJKIDDZHELEL-GFCCVEGCSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCC[N@H+](CCCO)CC1 ZINC001052823636 852659010 /nfs/dbraw/zinc/65/90/10/852659010.db2.gz KXUJKIDDZHELEL-GFCCVEGCSA-N 2 2 280.372 0.305 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001052869028 852665940 /nfs/dbraw/zinc/66/59/40/852665940.db2.gz AEACPVZEJCMVDF-OLZOCXBDSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001052869028 852665948 /nfs/dbraw/zinc/66/59/48/852665948.db2.gz AEACPVZEJCMVDF-OLZOCXBDSA-N 2 2 294.399 0.314 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)C1([NH+](C)C)CCC1)CCO2 ZINC001053287420 852723403 /nfs/dbraw/zinc/72/34/03/852723403.db2.gz XVXRNUAKGYICTE-UHFFFAOYSA-N 2 2 295.427 0.794 20 0 CCADLP CC(C)[NH+]1CC2(C1)CN(C(=O)[C@H]1CCCC[N@@H+]1C)CCO2 ZINC001053309459 852727265 /nfs/dbraw/zinc/72/72/65/852727265.db2.gz ISMOWNFLVCVKQH-CQSZACIVSA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)[NH+]1CC2(C1)CN(C(=O)[C@H]1CCCC[N@H+]1C)CCO2 ZINC001053309459 852727270 /nfs/dbraw/zinc/72/72/70/852727270.db2.gz ISMOWNFLVCVKQH-CQSZACIVSA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC[N@H+](C)C1)CCO2 ZINC001053530607 852753757 /nfs/dbraw/zinc/75/37/57/852753757.db2.gz CKJHYPNCFPKNJJ-CYBMUJFWSA-N 2 2 281.400 0.260 20 0 CCADLP CC(C)[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)C1)CCO2 ZINC001053530607 852753761 /nfs/dbraw/zinc/75/37/61/852753761.db2.gz CKJHYPNCFPKNJJ-CYBMUJFWSA-N 2 2 281.400 0.260 20 0 CCADLP CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)O2 ZINC001053619193 852770412 /nfs/dbraw/zinc/77/04/12/852770412.db2.gz NDLXTNJWGXPDAR-KGLIPLIRSA-N 2 2 295.427 0.840 20 0 CCADLP CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)O2 ZINC001053619193 852770417 /nfs/dbraw/zinc/77/04/17/852770417.db2.gz NDLXTNJWGXPDAR-KGLIPLIRSA-N 2 2 295.427 0.840 20 0 CCADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)CO2 ZINC001053926254 852850002 /nfs/dbraw/zinc/85/00/02/852850002.db2.gz ZVAZHHHVQDLNHC-CYBMUJFWSA-N 2 2 295.427 0.698 20 0 CCADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@H+]1CCC(C)(C)C1)CO2 ZINC001053926254 852850006 /nfs/dbraw/zinc/85/00/06/852850006.db2.gz ZVAZHHHVQDLNHC-CYBMUJFWSA-N 2 2 295.427 0.698 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001050059940 853304505 /nfs/dbraw/zinc/30/45/05/853304505.db2.gz CYSLWIPYOUIGOR-GXTWGEPZSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001050059940 853304513 /nfs/dbraw/zinc/30/45/13/853304513.db2.gz CYSLWIPYOUIGOR-GXTWGEPZSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001050059940 853304517 /nfs/dbraw/zinc/30/45/17/853304517.db2.gz CYSLWIPYOUIGOR-GXTWGEPZSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001050059940 853304528 /nfs/dbraw/zinc/30/45/28/853304528.db2.gz CYSLWIPYOUIGOR-GXTWGEPZSA-N 2 2 292.383 0.257 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001051207892 853546684 /nfs/dbraw/zinc/54/66/84/853546684.db2.gz JSQGCLRGJFQULN-AWEZNQCLSA-N 2 2 295.427 0.699 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001051207892 853546687 /nfs/dbraw/zinc/54/66/87/853546687.db2.gz JSQGCLRGJFQULN-AWEZNQCLSA-N 2 2 295.427 0.699 20 0 CCADLP CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]ccc2OC)CCO1 ZINC001051678621 853622243 /nfs/dbraw/zinc/62/22/43/853622243.db2.gz DLQFNALWYYCNAO-ZDUSSCGKSA-N 2 2 293.367 0.470 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCO1 ZINC001051861636 853652355 /nfs/dbraw/zinc/65/23/55/853652355.db2.gz KKCPDIQXXRIAAY-WCQYABFASA-N 2 2 280.372 0.425 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCO1 ZINC001051861636 853652361 /nfs/dbraw/zinc/65/23/61/853652361.db2.gz KKCPDIQXXRIAAY-WCQYABFASA-N 2 2 280.372 0.425 20 0 CCADLP CC(C)[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001051902460 853656612 /nfs/dbraw/zinc/65/66/12/853656612.db2.gz GJRQVIAHQLATED-ZDUSSCGKSA-N 2 2 280.372 0.188 20 0 CCADLP CC(C)[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001051951520 853662839 /nfs/dbraw/zinc/66/28/39/853662839.db2.gz IQTAFBQGFNHYLY-LBPRGKRZSA-N 2 2 266.345 0.109 20 0 CCADLP CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@@H]21 ZINC001074268825 854705725 /nfs/dbraw/zinc/70/57/25/854705725.db2.gz OSHZVFUAONAJQE-LSDHHAIUSA-N 2 2 295.427 0.792 20 0 CCADLP CC[N@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@@H]21 ZINC001074268825 854705730 /nfs/dbraw/zinc/70/57/30/854705730.db2.gz OSHZVFUAONAJQE-LSDHHAIUSA-N 2 2 295.427 0.792 20 0 CCADLP CC[NH+]1CCO[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]21 ZINC001074268825 854705738 /nfs/dbraw/zinc/70/57/38/854705738.db2.gz OSHZVFUAONAJQE-LSDHHAIUSA-N 2 2 295.427 0.792 20 0 CCADLP CC[NH+]1CCO[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]21 ZINC001074268825 854705744 /nfs/dbraw/zinc/70/57/44/854705744.db2.gz OSHZVFUAONAJQE-LSDHHAIUSA-N 2 2 295.427 0.792 20 0 CCADLP CC[N@@H+]1CCO[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001074327577 854710869 /nfs/dbraw/zinc/71/08/69/854710869.db2.gz VYRRINUYYZAXMK-GJZGRUSLSA-N 2 2 295.427 0.650 20 0 CCADLP CC[N@H+]1CCO[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001074327577 854710877 /nfs/dbraw/zinc/71/08/77/854710877.db2.gz VYRRINUYYZAXMK-GJZGRUSLSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001098221472 854852849 /nfs/dbraw/zinc/85/28/49/854852849.db2.gz YOKYJUOHPBIPHC-OXHZDVMGSA-N 2 2 292.383 0.065 20 0 CCADLP C[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001098221472 854852858 /nfs/dbraw/zinc/85/28/58/854852858.db2.gz YOKYJUOHPBIPHC-OXHZDVMGSA-N 2 2 292.383 0.065 20 0 CCADLP Cc1nc(N(C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001100123183 855102226 /nfs/dbraw/zinc/10/22/26/855102226.db2.gz IWOOHEPTGPMDSC-GFCCVEGCSA-N 2 2 277.372 0.289 20 0 CCADLP Cc1nc(N(C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001100123183 855102227 /nfs/dbraw/zinc/10/22/27/855102227.db2.gz IWOOHEPTGPMDSC-GFCCVEGCSA-N 2 2 277.372 0.289 20 0 CCADLP C[C@H](O)C[NH2+]C1CC(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001100391398 855159201 /nfs/dbraw/zinc/15/92/01/855159201.db2.gz JTBHBNVYWQGOQN-ZBOXLXRLSA-N 2 2 280.372 0.208 20 0 CCADLP C[C@H](O)C[NH2+]C1CC(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001100391398 855159206 /nfs/dbraw/zinc/15/92/06/855159206.db2.gz JTBHBNVYWQGOQN-ZBOXLXRLSA-N 2 2 280.372 0.208 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC001256319939 855242219 /nfs/dbraw/zinc/24/22/19/855242219.db2.gz FJPKCXHCAOVADY-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC001256319939 855242230 /nfs/dbraw/zinc/24/22/30/855242230.db2.gz FJPKCXHCAOVADY-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@@H]1C[N@H+](CCCO)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001102482915 855438781 /nfs/dbraw/zinc/43/87/81/855438781.db2.gz OTYQKNJUIOJOJW-VXGBXAGGSA-N 2 2 280.372 0.019 20 0 CCADLP C[C@@H]1C[N@@H+](CCCO)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001102482915 855438788 /nfs/dbraw/zinc/43/87/88/855438788.db2.gz OTYQKNJUIOJOJW-VXGBXAGGSA-N 2 2 280.372 0.019 20 0 CCADLP Cc1nc(NC[C@@H](C)CNC(=O)CC[NH+](C)C)cc[nH+]1 ZINC001104187888 855575464 /nfs/dbraw/zinc/57/54/64/855575464.db2.gz ZAHCIGNMJWCGAY-LLVKDONJSA-N 2 2 279.388 0.901 20 0 CCADLP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]cn1C ZINC001115190512 855651115 /nfs/dbraw/zinc/65/11/15/855651115.db2.gz RDDDFEANPIPTRF-IMRBUKKESA-N 2 2 262.357 0.419 20 0 CCADLP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]cn1C ZINC001115190512 855651119 /nfs/dbraw/zinc/65/11/19/855651119.db2.gz RDDDFEANPIPTRF-IMRBUKKESA-N 2 2 262.357 0.419 20 0 CCADLP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001116355926 855752299 /nfs/dbraw/zinc/75/22/99/855752299.db2.gz ZHTUIFGUSKLTQO-NWDGAFQWSA-N 2 2 262.357 0.513 20 0 CCADLP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001116355926 855752305 /nfs/dbraw/zinc/75/23/05/855752305.db2.gz ZHTUIFGUSKLTQO-NWDGAFQWSA-N 2 2 262.357 0.513 20 0 CCADLP C[C@H]([NH3+])C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001118130934 856170948 /nfs/dbraw/zinc/17/09/48/856170948.db2.gz OOFBCYUKQPGPHH-NSHDSACASA-N 3 2 268.405 0.008 20 0 CCADLP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001118596437 856360927 /nfs/dbraw/zinc/36/09/27/856360927.db2.gz INHPKPUAHFNUED-MNOVXSKESA-N 2 2 250.346 0.941 20 0 CCADLP CON1CC[C@@H]([N@@H+]2CCC[C@H]([NH+](C)C)CC2)C1=O ZINC001119850932 856895520 /nfs/dbraw/zinc/89/55/20/856895520.db2.gz GZJYRWZOMOLZDF-NWDGAFQWSA-N 2 2 255.362 0.565 20 0 CCADLP CON1CC[C@@H]([N@H+]2CCC[C@H]([NH+](C)C)CC2)C1=O ZINC001119850932 856895530 /nfs/dbraw/zinc/89/55/30/856895530.db2.gz GZJYRWZOMOLZDF-NWDGAFQWSA-N 2 2 255.362 0.565 20 0 CCADLP CC[C@H](C(=O)NCC1([NH2+]Cc2ccon2)CC1)[NH+](C)C ZINC001392948280 912280902 /nfs/dbraw/zinc/28/09/02/912280902.db2.gz JZXVIDLLIBVWAE-GFCCVEGCSA-N 2 2 280.372 0.753 20 0 CCADLP C[C@@H](O)CCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001393009614 912322969 /nfs/dbraw/zinc/32/29/69/912322969.db2.gz FSYAOICUXQCVBW-TZMCWYRMSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@@H](O)CCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001393009614 912322987 /nfs/dbraw/zinc/32/29/87/912322987.db2.gz FSYAOICUXQCVBW-TZMCWYRMSA-N 2 2 283.416 0.384 20 0 CCADLP CC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001393351651 912527580 /nfs/dbraw/zinc/52/75/80/912527580.db2.gz ASBUAELTMIZJNR-CHWSQXEVSA-N 2 2 283.416 0.290 20 0 CCADLP CC(C)[NH2+]CCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001393463528 912589821 /nfs/dbraw/zinc/58/98/21/912589821.db2.gz YFLMBFYMJRGZMB-VXGBXAGGSA-N 2 2 280.372 0.332 20 0 CCADLP CC(C)[NH2+]CCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001393463528 912589835 /nfs/dbraw/zinc/58/98/35/912589835.db2.gz YFLMBFYMJRGZMB-VXGBXAGGSA-N 2 2 280.372 0.332 20 0 CCADLP C[NH+](C)CCC(=O)N[C@@H]1COC2(C[NH+](CCCF)C2)C1 ZINC001393664727 912706530 /nfs/dbraw/zinc/70/65/30/912706530.db2.gz DYAIVVLZXWLRDZ-LBPRGKRZSA-N 2 2 287.379 0.257 20 0 CCADLP CC(C)[C@H](CCN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]C[C@H](C)O ZINC001394192919 913062179 /nfs/dbraw/zinc/06/21/79/913062179.db2.gz UCDDSNRCJKVTBA-JSGCOSHPSA-N 2 2 296.415 0.796 20 0 CCADLP CN(C[C@H](O)C[NH2+]CC1CCC1)C(=O)Cn1cc[nH+]c1 ZINC001394762799 913412430 /nfs/dbraw/zinc/41/24/30/913412430.db2.gz IVFMSHZGEJCVAF-CYBMUJFWSA-N 2 2 280.372 0.092 20 0 CCADLP C[N@H+](CCCF)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001266280840 891416972 /nfs/dbraw/zinc/41/69/72/891416972.db2.gz VQCKUDHHROLLAZ-UHFFFAOYSA-N 2 2 256.325 0.750 20 0 CCADLP C[N@@H+](CCCF)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001266280840 891416994 /nfs/dbraw/zinc/41/69/94/891416994.db2.gz VQCKUDHHROLLAZ-UHFFFAOYSA-N 2 2 256.325 0.750 20 0 CCADLP C[N@H+](CCCF)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001266280840 891417005 /nfs/dbraw/zinc/41/70/05/891417005.db2.gz VQCKUDHHROLLAZ-UHFFFAOYSA-N 2 2 256.325 0.750 20 0 CCADLP C[N@@H+](CCCF)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001266280840 891417026 /nfs/dbraw/zinc/41/70/26/891417026.db2.gz VQCKUDHHROLLAZ-UHFFFAOYSA-N 2 2 256.325 0.750 20 0 CCADLP CC[N@H+](C)CCC(=O)NCC[NH+](C)Cc1cnc(C)o1 ZINC001480932403 891870244 /nfs/dbraw/zinc/87/02/44/891870244.db2.gz KHHHBNABTNJSFI-UHFFFAOYSA-N 2 2 282.388 0.873 20 0 CCADLP CC[N@@H+](C)CCC(=O)NCC[NH+](C)Cc1cnc(C)o1 ZINC001480932403 891870256 /nfs/dbraw/zinc/87/02/56/891870256.db2.gz KHHHBNABTNJSFI-UHFFFAOYSA-N 2 2 282.388 0.873 20 0 CCADLP CC[NH+](C)CCC(=O)NCC[N@H+](C)Cc1cnc(C)o1 ZINC001480932403 891870270 /nfs/dbraw/zinc/87/02/70/891870270.db2.gz KHHHBNABTNJSFI-UHFFFAOYSA-N 2 2 282.388 0.873 20 0 CCADLP CC[NH+](C)CCC(=O)NCC[N@@H+](C)Cc1cnc(C)o1 ZINC001480932403 891870274 /nfs/dbraw/zinc/87/02/74/891870274.db2.gz KHHHBNABTNJSFI-UHFFFAOYSA-N 2 2 282.388 0.873 20 0 CCADLP CN(CCC[NH+]1CCOCC1)C1(C[NH3+])CCOCC1 ZINC000725064313 891889506 /nfs/dbraw/zinc/88/95/06/891889506.db2.gz PTJGIQOQKCPWJA-UHFFFAOYSA-N 2 2 271.405 0.148 20 0 CCADLP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CCF)[NH+](C)C ZINC001481046509 892111947 /nfs/dbraw/zinc/11/19/47/892111947.db2.gz WPCIAUXJJCEJNX-VXGBXAGGSA-N 2 2 259.369 0.877 20 0 CCADLP CC[C@H](C(=O)NC[C@H]1CCC[N@H+]1CCF)[NH+](C)C ZINC001481046509 892111951 /nfs/dbraw/zinc/11/19/51/892111951.db2.gz WPCIAUXJJCEJNX-VXGBXAGGSA-N 2 2 259.369 0.877 20 0 CCADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C/C=C\CO ZINC001353299342 892346768 /nfs/dbraw/zinc/34/67/68/892346768.db2.gz DCHUHDBXDDPOCA-YVACAVLKSA-N 2 2 264.369 0.617 20 0 CCADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C/C=C\CO ZINC001353299342 892346786 /nfs/dbraw/zinc/34/67/86/892346786.db2.gz DCHUHDBXDDPOCA-YVACAVLKSA-N 2 2 264.369 0.617 20 0 CCADLP COC[C@H](C)[NH2+]CCN(C)C(=O)CCn1cc[nH+]c1 ZINC001481264019 892451683 /nfs/dbraw/zinc/45/16/83/892451683.db2.gz IQACKCWELSPJNB-LBPRGKRZSA-N 2 2 268.361 0.356 20 0 CCADLP CO[C@H](C)C[NH2+]CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001481285109 892522193 /nfs/dbraw/zinc/52/21/93/892522193.db2.gz SBFNJGSTSPBCJL-SNVBAGLBSA-N 2 2 254.334 0.035 20 0 CCADLP C[C@H](O)C[N@H+](C)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001481507819 892757474 /nfs/dbraw/zinc/75/74/74/892757474.db2.gz BMANKTRGFMULLY-QWHCGFSZSA-N 2 2 280.372 0.044 20 0 CCADLP C[C@H](O)C[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001481507819 892757478 /nfs/dbraw/zinc/75/74/78/892757478.db2.gz BMANKTRGFMULLY-QWHCGFSZSA-N 2 2 280.372 0.044 20 0 CCADLP C[NH+]1CCN(C(=O)c2coc([C@@H]3CCC[NH2+]3)n2)CC1 ZINC001343457930 892924490 /nfs/dbraw/zinc/92/44/90/892924490.db2.gz IHQMOSUWDZCBLI-JTQLQIEISA-N 2 2 264.329 0.487 20 0 CCADLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CCn1cccn1 ZINC001481859295 893217253 /nfs/dbraw/zinc/21/72/53/893217253.db2.gz YAVIDYKPQWCEBN-GFCCVEGCSA-N 2 2 290.371 0.333 20 0 CCADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]C[C@@H]1CCCOC1 ZINC001481886045 893246239 /nfs/dbraw/zinc/24/62/39/893246239.db2.gz YWWHOUVTHOJKLV-UONOGXRCSA-N 2 2 294.399 0.794 20 0 CCADLP Cc1ncoc1C[NH2+]C[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001482155267 893442082 /nfs/dbraw/zinc/44/20/82/893442082.db2.gz WXPZQJKUVLRFPZ-SNVBAGLBSA-N 2 2 291.355 0.791 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1cnn(C)c1 ZINC001482176188 893461257 /nfs/dbraw/zinc/46/12/57/893461257.db2.gz SBQIFJLIOPOLPN-GFCCVEGCSA-N 2 2 290.371 0.159 20 0 CCADLP CC(C)(C)CCC[NH2+]C[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001482798608 894608234 /nfs/dbraw/zinc/60/82/34/894608234.db2.gz FSJZOXHOSPNVIV-CYBMUJFWSA-N 2 2 296.415 0.776 20 0 CCADLP Cc1ncc(C[NH2+]C[C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC001483170653 895054440 /nfs/dbraw/zinc/05/44/40/895054440.db2.gz NLDUMGYEDWDPTA-SNVBAGLBSA-N 2 2 288.355 0.345 20 0 CCADLP CC[C@H](C)C[NH+]1CC(CCO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001409748721 895361914 /nfs/dbraw/zinc/36/19/14/895361914.db2.gz ADZNOQOPYOTKQE-ZDUSSCGKSA-N 2 2 294.399 0.482 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+]CC[C@H]2CCOC2)CC1 ZINC001483778615 896048074 /nfs/dbraw/zinc/04/80/74/896048074.db2.gz HWDINGPFVVJXOF-LBPRGKRZSA-N 2 2 292.383 0.617 20 0 CCADLP CN(C(=O)C1([NH+](C)C)CCC1)C1C[NH+](CCCF)C1 ZINC001483866584 896087936 /nfs/dbraw/zinc/08/79/36/896087936.db2.gz BHZHAUJPGKMSIY-UHFFFAOYSA-N 2 2 271.380 0.973 20 0 CCADLP CCOCC[NH+]1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001483877263 896100265 /nfs/dbraw/zinc/10/02/65/896100265.db2.gz NYILRIGCWRMRFS-UHFFFAOYSA-N 2 2 283.416 0.507 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001483876534 896101845 /nfs/dbraw/zinc/10/18/45/896101845.db2.gz WQMGTNIBNMRCOH-UHFFFAOYSA-N 2 2 269.389 0.117 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001397094050 914038618 /nfs/dbraw/zinc/03/86/18/914038618.db2.gz QLWXLCRVNXILAE-MELADBBJSA-N 2 2 294.399 0.529 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001397099030 914040493 /nfs/dbraw/zinc/04/04/93/914040493.db2.gz NHHQUUZWNKPMSN-UTUOFQBUSA-N 2 2 280.372 0.472 20 0 CCADLP C[C@@H](O)C[NH2+]CC1CC(NC(=O)CCn2cc[nH+]c2)C1 ZINC001485099510 896770350 /nfs/dbraw/zinc/77/03/50/896770350.db2.gz XVYBZVZNXHGHRH-PNESKVBLSA-N 2 2 280.372 0.138 20 0 CCADLP CC(C)OCC[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001485202192 896845488 /nfs/dbraw/zinc/84/54/88/896845488.db2.gz PDBQHYRJPVUARP-RYUDHWBXSA-N 2 2 282.388 0.860 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC1(CCO)C[NH+](C(C)C)C1 ZINC001485411694 897031469 /nfs/dbraw/zinc/03/14/69/897031469.db2.gz YUXPUEXEJJKIRS-UHFFFAOYSA-N 2 2 280.372 0.153 20 0 CCADLP C[C@@H](CC[NH2+]CCF)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001272837000 898063318 /nfs/dbraw/zinc/06/33/18/898063318.db2.gz BESVGTFNBJBCJF-HBNTYKKESA-N 2 2 268.336 0.967 20 0 CCADLP C[C@@H](CC[NH2+]CCF)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001272837000 898063329 /nfs/dbraw/zinc/06/33/29/898063329.db2.gz BESVGTFNBJBCJF-HBNTYKKESA-N 2 2 268.336 0.967 20 0 CCADLP COCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1C ZINC001032784224 898192152 /nfs/dbraw/zinc/19/21/52/898192152.db2.gz NJSKAEGEAOWTKI-STQMWFEESA-N 2 2 278.356 0.123 20 0 CCADLP COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1C ZINC001032784224 898192165 /nfs/dbraw/zinc/19/21/65/898192165.db2.gz NJSKAEGEAOWTKI-STQMWFEESA-N 2 2 278.356 0.123 20 0 CCADLP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001078229681 898303409 /nfs/dbraw/zinc/30/34/09/898303409.db2.gz SXKMADXDZZPXLI-JHJVBQTASA-N 2 2 269.389 0.042 20 0 CCADLP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001078229681 898303435 /nfs/dbraw/zinc/30/34/35/898303435.db2.gz SXKMADXDZZPXLI-JHJVBQTASA-N 2 2 269.389 0.042 20 0 CCADLP CC(C)[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCCO1 ZINC001078492225 898392879 /nfs/dbraw/zinc/39/28/79/898392879.db2.gz JUQVZJUPPRWMPH-LBPRGKRZSA-N 2 2 280.372 0.568 20 0 CCADLP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1cncn1C ZINC001485963114 898529426 /nfs/dbraw/zinc/52/94/26/898529426.db2.gz PNTBERZBBLNDPA-LBPRGKRZSA-N 2 2 290.371 0.253 20 0 CCADLP CC(C)(C)CCC[NH2+][C@@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001486048870 898613610 /nfs/dbraw/zinc/61/36/10/898613610.db2.gz WXBQRSQZFIPOAR-GFCCVEGCSA-N 2 2 296.415 0.845 20 0 CCADLP CN(C[C@@H](O)C[NH2+]CC1CCCC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001486308500 898772060 /nfs/dbraw/zinc/77/20/60/898772060.db2.gz ZMOREGUQLWTBJK-ZDUSSCGKSA-N 2 2 294.399 0.551 20 0 CCADLP CN(C[C@@H](O)C[N@H+](C)CC1CC1)C(=O)Cc1c[nH+]cn1C ZINC001486357531 898815690 /nfs/dbraw/zinc/81/56/90/898815690.db2.gz YEVPAYKRABHSKA-AWEZNQCLSA-N 2 2 294.399 0.124 20 0 CCADLP CN(C[C@@H](O)C[N@@H+](C)CC1CC1)C(=O)Cc1c[nH+]cn1C ZINC001486357531 898815701 /nfs/dbraw/zinc/81/57/01/898815701.db2.gz YEVPAYKRABHSKA-AWEZNQCLSA-N 2 2 294.399 0.124 20 0 CCADLP C[C@H](O)C[NH+]1CC([C@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001409986853 899041233 /nfs/dbraw/zinc/04/12/33/899041233.db2.gz SRTKRCZVQKHMJJ-RYUDHWBXSA-N 2 2 294.399 0.170 20 0 CCADLP C[C@@H](CC(=O)NC[C@H]1C[C@H]([NH2+]CCO)C1)n1cc[nH+]c1 ZINC001397676939 914324124 /nfs/dbraw/zinc/32/41/24/914324124.db2.gz OZXUGHZOAWEDSU-AVGNSLFASA-N 2 2 280.372 0.311 20 0 CCADLP Cc1ncc(C[NH2+][C@H](C)CN(C)C(=O)Cn2cc[nH+]c2)o1 ZINC001410550231 899466120 /nfs/dbraw/zinc/46/61/20/899466120.db2.gz XEGUQJFSDFXMPR-LLVKDONJSA-N 2 2 291.355 0.816 20 0 CCADLP Cn1ccnc1C[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001490166426 900548255 /nfs/dbraw/zinc/54/82/55/900548255.db2.gz QUZLYBJESMBPNE-CYBMUJFWSA-N 2 2 293.415 0.452 20 0 CCADLP Cn1ccnc1C[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001490166426 900548270 /nfs/dbraw/zinc/54/82/70/900548270.db2.gz QUZLYBJESMBPNE-CYBMUJFWSA-N 2 2 293.415 0.452 20 0 CCADLP Cn1ccnc1C[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001490166426 900548299 /nfs/dbraw/zinc/54/82/99/900548299.db2.gz QUZLYBJESMBPNE-CYBMUJFWSA-N 2 2 293.415 0.452 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H](C(=O)NCC[NH+]2CCOC[C@H]2C)C1 ZINC001411772124 901243020 /nfs/dbraw/zinc/24/30/20/901243020.db2.gz GSLXZCXOLPOFAB-CABCVRRESA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[N@H+]1CCC[C@H](C(=O)NCC[NH+]2CCOC[C@H]2C)C1 ZINC001411772124 901243035 /nfs/dbraw/zinc/24/30/35/901243035.db2.gz GSLXZCXOLPOFAB-CABCVRRESA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[NH+]1CCC[C@H](C(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC001411772124 901243048 /nfs/dbraw/zinc/24/30/48/901243048.db2.gz GSLXZCXOLPOFAB-CABCVRRESA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[NH+]1CCC[C@H](C(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC001411772124 901243058 /nfs/dbraw/zinc/24/30/58/901243058.db2.gz GSLXZCXOLPOFAB-CABCVRRESA-N 2 2 297.443 0.944 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC001411972021 901369306 /nfs/dbraw/zinc/36/93/06/901369306.db2.gz BPHGFGPIYFLXJJ-UHFFFAOYSA-N 2 2 280.372 0.176 20 0 CCADLP C[C@@H](O)CCC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001412959132 902392156 /nfs/dbraw/zinc/39/21/56/902392156.db2.gz KHEJNOHDWNQKOQ-OCCSQVGLSA-N 2 2 283.416 0.562 20 0 CCADLP C[C@@H](O)CCC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001412959132 902392165 /nfs/dbraw/zinc/39/21/65/902392165.db2.gz KHEJNOHDWNQKOQ-OCCSQVGLSA-N 2 2 283.416 0.562 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+]2C[C@@H](F)C[C@H]2C1)[C@@H]1CCC[C@H]1O ZINC001412997977 902454302 /nfs/dbraw/zinc/45/43/02/902454302.db2.gz KIUXQPRJLCNKCT-IGQOVBAYSA-N 2 2 299.390 0.086 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+]2C[C@@H](F)C[C@H]2C1)[C@@H]1CCC[C@H]1O ZINC001412997977 902454312 /nfs/dbraw/zinc/45/43/12/902454312.db2.gz KIUXQPRJLCNKCT-IGQOVBAYSA-N 2 2 299.390 0.086 20 0 CCADLP C[NH+](CC(=O)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1)[C@@H]1CCC[C@H]1O ZINC001412997977 902454326 /nfs/dbraw/zinc/45/43/26/902454326.db2.gz KIUXQPRJLCNKCT-IGQOVBAYSA-N 2 2 299.390 0.086 20 0 CCADLP C[NH+](CC(=O)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1)[C@@H]1CCC[C@H]1O ZINC001412997977 902454332 /nfs/dbraw/zinc/45/43/32/902454332.db2.gz KIUXQPRJLCNKCT-IGQOVBAYSA-N 2 2 299.390 0.086 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CCCn1cc[nH+]c1 ZINC001253383263 904026506 /nfs/dbraw/zinc/02/65/06/904026506.db2.gz CNSGAAFWEOYZDT-LBPRGKRZSA-N 3 2 254.378 0.612 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NC[C@H]1CC[N@H+](CCF)C1 ZINC001377447517 904896720 /nfs/dbraw/zinc/89/67/20/904896720.db2.gz PSZKPSDTPQCVSS-GFCCVEGCSA-N 2 2 282.363 0.760 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NC[C@H]1CC[N@@H+](CCF)C1 ZINC001377447517 904896740 /nfs/dbraw/zinc/89/67/40/904896740.db2.gz PSZKPSDTPQCVSS-GFCCVEGCSA-N 2 2 282.363 0.760 20 0 CCADLP CC[C@@H](C[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1)OC ZINC001377474090 904916244 /nfs/dbraw/zinc/91/62/44/904916244.db2.gz GKRGNQPOVZLWAO-KGLIPLIRSA-N 2 2 294.399 0.746 20 0 CCADLP CC[C@@H](C[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1)OC ZINC001377474090 904916262 /nfs/dbraw/zinc/91/62/62/904916262.db2.gz GKRGNQPOVZLWAO-KGLIPLIRSA-N 2 2 294.399 0.746 20 0 CCADLP CCCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001283771493 905012687 /nfs/dbraw/zinc/01/26/87/905012687.db2.gz QEJIAMBKPOCYLX-STQMWFEESA-N 2 2 294.399 0.312 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]1C[N@@H+](C)C[C@@H](C)O ZINC001377666793 905086077 /nfs/dbraw/zinc/08/60/77/905086077.db2.gz IFKXGNAECUMZHW-YPMHNXCESA-N 2 2 294.399 0.564 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]1C[N@H+](C)C[C@@H](C)O ZINC001377666793 905086091 /nfs/dbraw/zinc/08/60/91/905086091.db2.gz IFKXGNAECUMZHW-YPMHNXCESA-N 2 2 294.399 0.564 20 0 CCADLP CC1CC(C[NH+]2CC(NC(=O)CC[NH+]3CCOCC3)C2)C1 ZINC001377922932 905246823 /nfs/dbraw/zinc/24/68/23/905246823.db2.gz BHVXEJYHIJBHSU-UHFFFAOYSA-N 2 2 295.427 0.555 20 0 CCADLP Cc1nonc1C[NH2+]C[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001378639221 905725060 /nfs/dbraw/zinc/72/50/60/905725060.db2.gz ULFHWHVXTWYCQJ-SNVBAGLBSA-N 2 2 292.343 0.117 20 0 CCADLP CC(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001378723783 905775037 /nfs/dbraw/zinc/77/50/37/905775037.db2.gz BHOZJUHEXXSBII-ZSOGYDGISA-N 2 2 276.384 0.902 20 0 CCADLP CC(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001378723783 905775053 /nfs/dbraw/zinc/77/50/53/905775053.db2.gz BHOZJUHEXXSBII-ZSOGYDGISA-N 2 2 276.384 0.902 20 0 CCADLP Cc1nnc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001378754298 905795831 /nfs/dbraw/zinc/79/58/31/905795831.db2.gz MNHOHODECBXWNC-PWSUYJOCSA-N 2 2 295.387 0.409 20 0 CCADLP Cc1nnc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001378754298 905795845 /nfs/dbraw/zinc/79/58/45/905795845.db2.gz MNHOHODECBXWNC-PWSUYJOCSA-N 2 2 295.387 0.409 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1nnc(C)[nH]1 ZINC001378838836 905852090 /nfs/dbraw/zinc/85/20/90/905852090.db2.gz BIEZVPMYXCJHKH-LLVKDONJSA-N 2 2 296.419 0.391 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1nnc(C)[nH]1 ZINC001378838836 905852103 /nfs/dbraw/zinc/85/21/03/905852103.db2.gz BIEZVPMYXCJHKH-LLVKDONJSA-N 2 2 296.419 0.391 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NC[C@@H]([NH2+]CCO)C(C)C ZINC001378962939 905901321 /nfs/dbraw/zinc/90/13/21/905901321.db2.gz HLSIUSSNURZAJZ-CYBMUJFWSA-N 2 2 295.383 0.355 20 0 CCADLP Cc1ncc(C[N@@H+](C)CCN(C)C(=O)C[NH+]2CCCC2)o1 ZINC001379128780 906007295 /nfs/dbraw/zinc/00/72/95/906007295.db2.gz BBHIVBOYCIADRD-UHFFFAOYSA-N 2 2 294.399 0.969 20 0 CCADLP Cc1ncc(C[N@H+](C)CCN(C)C(=O)C[NH+]2CCCC2)o1 ZINC001379128780 906007311 /nfs/dbraw/zinc/00/73/11/906007311.db2.gz BBHIVBOYCIADRD-UHFFFAOYSA-N 2 2 294.399 0.969 20 0 CCADLP CC1CC(C[NH2+]C[C@@H](O)CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001379209582 906067447 /nfs/dbraw/zinc/06/74/47/906067447.db2.gz WXLGVMNXIYRKLR-ORHYLEIMSA-N 2 2 294.399 0.455 20 0 CCADLP CC1CC(C[NH2+]C[C@@H](O)CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001379209582 906067460 /nfs/dbraw/zinc/06/74/60/906067460.db2.gz WXLGVMNXIYRKLR-ORHYLEIMSA-N 2 2 294.399 0.455 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)CN(C)C(=O)CCC[NH+](C)C)o1 ZINC001379220402 906070299 /nfs/dbraw/zinc/07/02/99/906070299.db2.gz KUIUULCUZSMCQN-LLVKDONJSA-N 2 2 297.403 0.656 20 0 CCADLP CC(C)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001379245761 906087022 /nfs/dbraw/zinc/08/70/22/906087022.db2.gz HHIYYKRFGTVQEW-YNEHKIRRSA-N 2 2 294.399 0.246 20 0 CCADLP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1csnn1 ZINC001379446954 906248342 /nfs/dbraw/zinc/24/83/42/906248342.db2.gz MUXMEEAFNJJDIF-SNVBAGLBSA-N 2 2 285.417 0.474 20 0 CCADLP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+]Cc1csnn1 ZINC001379446954 906248358 /nfs/dbraw/zinc/24/83/58/906248358.db2.gz MUXMEEAFNJJDIF-SNVBAGLBSA-N 2 2 285.417 0.474 20 0 CCADLP CC(C)[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001379797893 906484001 /nfs/dbraw/zinc/48/40/01/906484001.db2.gz CFMXZEJIHAWRAQ-QWHCGFSZSA-N 2 2 294.399 0.263 20 0 CCADLP CC(C)OCC[NH+]1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001380251546 906695071 /nfs/dbraw/zinc/69/50/71/906695071.db2.gz MQWVWFMVPIFLSY-AWEZNQCLSA-N 2 2 297.443 0.896 20 0 CCADLP CC(C)OCC[NH+]1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001380251546 906695088 /nfs/dbraw/zinc/69/50/88/906695088.db2.gz MQWVWFMVPIFLSY-AWEZNQCLSA-N 2 2 297.443 0.896 20 0 CCADLP CC[C@@H](C(=O)NC[C@H]1COCC[N@@H+]1CCC1CC1)[NH+](C)C ZINC001380822556 906950492 /nfs/dbraw/zinc/95/04/92/906950492.db2.gz LANZPGVJADIAFR-GJZGRUSLSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@@H](C(=O)NC[C@H]1COCC[N@H+]1CCC1CC1)[NH+](C)C ZINC001380822556 906950508 /nfs/dbraw/zinc/95/05/08/906950508.db2.gz LANZPGVJADIAFR-GJZGRUSLSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H](CC(=O)N[C@H]1CCC[N@H+](CCO)CC1)n1cc[nH+]c1 ZINC001380937196 906999668 /nfs/dbraw/zinc/99/96/68/906999668.db2.gz YVJHVFRUMAEAMZ-KBPBESRZSA-N 2 2 294.399 0.797 20 0 CCADLP C[C@@H](CC(=O)N[C@H]1CCC[N@@H+](CCO)CC1)n1cc[nH+]c1 ZINC001380937196 906999701 /nfs/dbraw/zinc/99/97/01/906999701.db2.gz YVJHVFRUMAEAMZ-KBPBESRZSA-N 2 2 294.399 0.797 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC[C@H](C)F ZINC001491625444 907463140 /nfs/dbraw/zinc/46/31/40/907463140.db2.gz SOUWPCQIGCZZHR-VHSXEESVSA-N 2 2 256.325 0.795 20 0 CCADLP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+]Cc1ncc(C)o1 ZINC001491633214 907470984 /nfs/dbraw/zinc/47/09/84/907470984.db2.gz WMUGEMRZPMZNNH-LLVKDONJSA-N 2 2 282.388 0.919 20 0 CCADLP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+]Cc1ncc(C)o1 ZINC001491633214 907470987 /nfs/dbraw/zinc/47/09/87/907470987.db2.gz WMUGEMRZPMZNNH-LLVKDONJSA-N 2 2 282.388 0.919 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CC1CC1 ZINC001491638234 907473156 /nfs/dbraw/zinc/47/31/56/907473156.db2.gz NCOVDEYTLOJHJS-JTQLQIEISA-N 2 2 250.346 0.467 20 0 CCADLP COC[C@H](C)[NH2+][C@H](C)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001382150927 907574801 /nfs/dbraw/zinc/57/48/01/907574801.db2.gz NPTWVLOQWCEDKY-OLZOCXBDSA-N 2 2 296.415 0.824 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@@H](C[NH2+]CCF)C1 ZINC001491852310 907608866 /nfs/dbraw/zinc/60/88/66/907608866.db2.gz YOGKLNRNRCHUHQ-LBPRGKRZSA-N 2 2 282.363 0.760 20 0 CCADLP CCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001492251662 907805289 /nfs/dbraw/zinc/80/52/89/907805289.db2.gz UFBROXPDMBFCCZ-CYBMUJFWSA-N 2 2 298.431 0.043 20 0 CCADLP CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001492251662 907805267 /nfs/dbraw/zinc/80/52/67/907805267.db2.gz UFBROXPDMBFCCZ-CYBMUJFWSA-N 2 2 298.431 0.043 20 0 CCADLP CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001492251662 907805278 /nfs/dbraw/zinc/80/52/78/907805278.db2.gz UFBROXPDMBFCCZ-CYBMUJFWSA-N 2 2 298.431 0.043 20 0 CCADLP CCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001492251662 907805306 /nfs/dbraw/zinc/80/53/06/907805306.db2.gz UFBROXPDMBFCCZ-CYBMUJFWSA-N 2 2 298.431 0.043 20 0 CCADLP Cc1ncoc1C[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001492402726 907903426 /nfs/dbraw/zinc/90/34/26/907903426.db2.gz SHCIFBLBRXZZNJ-UHFFFAOYSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1ncoc1C[N@@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001492402726 907903438 /nfs/dbraw/zinc/90/34/38/907903438.db2.gz SHCIFBLBRXZZNJ-UHFFFAOYSA-N 2 2 294.399 0.873 20 0 CCADLP C[C@@H]1C[C@H](C)CN1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336963228 908035588 /nfs/dbraw/zinc/03/55/88/908035588.db2.gz KFXDCQGOJJHPFG-NWDGAFQWSA-N 2 2 268.405 0.849 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)C(C)(C)O ZINC001307523422 908318722 /nfs/dbraw/zinc/31/87/22/908318722.db2.gz KJBLYBNICLOJCJ-AGIUHOORSA-N 2 2 256.390 0.677 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)C(C)(C)O ZINC001307523422 908318737 /nfs/dbraw/zinc/31/87/37/908318737.db2.gz KJBLYBNICLOJCJ-AGIUHOORSA-N 2 2 256.390 0.677 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)C(C)(C)O ZINC001307523422 908318754 /nfs/dbraw/zinc/31/87/54/908318754.db2.gz KJBLYBNICLOJCJ-AGIUHOORSA-N 2 2 256.390 0.677 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)C(C)(C)O ZINC001307523422 908318770 /nfs/dbraw/zinc/31/87/70/908318770.db2.gz KJBLYBNICLOJCJ-AGIUHOORSA-N 2 2 256.390 0.677 20 0 CCADLP CC1(C)C[NH2+]CC[C@H](NC(=O)C[C@H]([NH3+])C(F)F)C1 ZINC001340894179 908558438 /nfs/dbraw/zinc/55/84/38/908558438.db2.gz HEUAHMYWIXSDAO-IUCAKERBSA-N 2 2 263.332 0.863 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001317301625 909129134 /nfs/dbraw/zinc/12/91/34/909129134.db2.gz WYDCOQNIWGZFEV-ZDUSSCGKSA-N 2 2 294.399 0.764 20 0 CCADLP CC(C)OCC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001317357716 909157919 /nfs/dbraw/zinc/15/79/19/909157919.db2.gz RAMMPRITNHVSKO-CQSZACIVSA-N 2 2 294.399 0.746 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+]Cc1cncn1C ZINC001317656280 909451608 /nfs/dbraw/zinc/45/16/08/909451608.db2.gz FEQMDIQFQYWEOA-UHFFFAOYSA-N 2 2 290.371 0.242 20 0 CCADLP C[C@H](O)C[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001388762335 909572305 /nfs/dbraw/zinc/57/23/05/909572305.db2.gz JIYDLTIOCKHRKY-RWMBFGLXSA-N 2 2 280.372 0.138 20 0 CCADLP COCCN(CC[NH+](C)C)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001318275790 909685319 /nfs/dbraw/zinc/68/53/19/909685319.db2.gz BQWBAHRTPSUQKU-LBPRGKRZSA-N 2 2 268.361 0.481 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H](CC[NH2+]CCO)C1 ZINC001318849879 909899252 /nfs/dbraw/zinc/89/92/52/909899252.db2.gz LVXCCMXRKYMHTL-CYBMUJFWSA-N 2 2 294.399 0.173 20 0 CCADLP CCOCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001319475265 910170332 /nfs/dbraw/zinc/17/03/32/910170332.db2.gz HVOYJPDIIKMHAK-JHJVBQTASA-N 2 2 294.399 0.986 20 0 CCADLP CCOCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001319475265 910170352 /nfs/dbraw/zinc/17/03/52/910170352.db2.gz HVOYJPDIIKMHAK-JHJVBQTASA-N 2 2 294.399 0.986 20 0 CCADLP COCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001319485056 910173628 /nfs/dbraw/zinc/17/36/28/910173628.db2.gz FGPVNWUVUAWICI-OLZOCXBDSA-N 2 2 294.399 0.528 20 0 CCADLP CN1C(=O)NC2(CC[NH+](CCCn3cc[nH+]c3)CC2)C1=O ZINC001320066892 910447166 /nfs/dbraw/zinc/44/71/66/910447166.db2.gz HIBLJISWHAFHND-UHFFFAOYSA-N 2 2 291.355 0.289 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCC[C@@H]1C[NH2+]CCO ZINC001320135217 910480111 /nfs/dbraw/zinc/48/01/11/910480111.db2.gz UTPVZQDWBNJDNQ-DGCLKSJQSA-N 2 2 280.372 0.209 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCC[C@@H]1C[NH2+]CCO ZINC001320135217 910480119 /nfs/dbraw/zinc/48/01/19/910480119.db2.gz UTPVZQDWBNJDNQ-DGCLKSJQSA-N 2 2 280.372 0.209 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1cnon1 ZINC001390546153 910505532 /nfs/dbraw/zinc/50/55/32/910505532.db2.gz ZMYTYHDLTHKZEH-WCQYABFASA-N 2 2 295.387 0.538 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1cnon1 ZINC001390546153 910505548 /nfs/dbraw/zinc/50/55/48/910505548.db2.gz ZMYTYHDLTHKZEH-WCQYABFASA-N 2 2 295.387 0.538 20 0 CCADLP C[C@@H](O)CCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001390773407 910666071 /nfs/dbraw/zinc/66/60/71/910666071.db2.gz NWFHEWSYRIZELJ-JHJVBQTASA-N 2 2 294.399 0.722 20 0 CCADLP C[C@@H](O)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001390773407 910666084 /nfs/dbraw/zinc/66/60/84/910666084.db2.gz NWFHEWSYRIZELJ-JHJVBQTASA-N 2 2 294.399 0.722 20 0 CCADLP C[C@@H](O)CCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001390773407 910666092 /nfs/dbraw/zinc/66/60/92/910666092.db2.gz NWFHEWSYRIZELJ-JHJVBQTASA-N 2 2 294.399 0.722 20 0 CCADLP C[C@@H](O)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001390773407 910666104 /nfs/dbraw/zinc/66/61/04/910666104.db2.gz NWFHEWSYRIZELJ-JHJVBQTASA-N 2 2 294.399 0.722 20 0 CCADLP C[C@@H]1CC[C@@H](C[N@H+](C)CCNC(=O)Cc2c[nH]c[nH+]2)O1 ZINC001390825828 910709050 /nfs/dbraw/zinc/70/90/50/910709050.db2.gz VFTRXKMQNKQGHF-YPMHNXCESA-N 2 2 280.372 0.568 20 0 CCADLP C[C@@H]1CC[C@@H](C[N@@H+](C)CCNC(=O)Cc2c[nH]c[nH+]2)O1 ZINC001390825828 910709065 /nfs/dbraw/zinc/70/90/65/910709065.db2.gz VFTRXKMQNKQGHF-YPMHNXCESA-N 2 2 280.372 0.568 20 0 CCADLP COC[C@H](C)[NH+]1CC(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001391512039 911188844 /nfs/dbraw/zinc/18/88/44/911188844.db2.gz CIOMIQKFIGIWIG-JTQLQIEISA-N 2 2 280.372 0.344 20 0 CCADLP Cc1conc1C[NH2+]C[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001391924446 911464254 /nfs/dbraw/zinc/46/42/54/911464254.db2.gz BPXRDVIYUVWUTB-SNVBAGLBSA-N 2 2 291.355 0.791 20 0 CCADLP Cc1ccnc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001392505369 911870452 /nfs/dbraw/zinc/87/04/52/911870452.db2.gz ZOQFXIRMABAUAL-CHWSQXEVSA-N 2 2 291.399 0.474 20 0 CCADLP Cc1ccnc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001392505369 911870460 /nfs/dbraw/zinc/87/04/60/911870460.db2.gz ZOQFXIRMABAUAL-CHWSQXEVSA-N 2 2 291.399 0.474 20 0 CCADLP C[C@@H](CC(=O)N[C@H]1CCC[N@@H+](CCO)C1)n1cc[nH+]c1 ZINC001417910704 921698528 /nfs/dbraw/zinc/69/85/28/921698528.db2.gz DMNSDDIBLPOZSC-STQMWFEESA-N 2 2 280.372 0.407 20 0 CCADLP CCc1cnc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001392551828 911931705 /nfs/dbraw/zinc/93/17/05/911931705.db2.gz WUEGFQAFMLQSAR-AAEUAGOBSA-N 2 2 294.399 0.926 20 0 CCADLP CCc1cnc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001392551828 911931716 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CO[C@H](C)C[N@@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001392724491 912115719 /nfs/dbraw/zinc/11/57/19/912115719.db2.gz OLIIIMCWBRUVGO-NWDGAFQWSA-N 2 2 282.388 0.434 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C[NH2+]C[C@@H](C)O)C1CC1 ZINC001392805426 912158518 /nfs/dbraw/zinc/15/85/18/912158518.db2.gz PGHBAJDNYBJUII-RNCFNFMXSA-N 2 2 280.372 0.126 20 0 CCADLP CCOCCC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001327959897 914891423 /nfs/dbraw/zinc/89/14/23/914891423.db2.gz TZJFHHZBBMAQLU-KGLIPLIRSA-N 2 2 294.399 0.746 20 0 CCADLP Cc1cnc(C[NH+](C)CCNC(=O)C[N@@H+](C)C(C)C)cn1 ZINC001399656827 915300433 /nfs/dbraw/zinc/30/04/33/915300433.db2.gz STJVYIRNDHJHDO-UHFFFAOYSA-N 2 2 293.415 0.673 20 0 CCADLP Cc1cnc(C[NH+](C)CCNC(=O)C[N@H+](C)C(C)C)cn1 ZINC001399656827 915300456 /nfs/dbraw/zinc/30/04/56/915300456.db2.gz STJVYIRNDHJHDO-UHFFFAOYSA-N 2 2 293.415 0.673 20 0 CCADLP Cc1cnc(C[N@@H+](C)CCNC(=O)C[NH+](C)C(C)C)cn1 ZINC001399656827 915300475 /nfs/dbraw/zinc/30/04/75/915300475.db2.gz STJVYIRNDHJHDO-UHFFFAOYSA-N 2 2 293.415 0.673 20 0 CCADLP Cc1cnc(C[N@H+](C)CCNC(=O)C[NH+](C)C(C)C)cn1 ZINC001399656827 915300496 /nfs/dbraw/zinc/30/04/96/915300496.db2.gz STJVYIRNDHJHDO-UHFFFAOYSA-N 2 2 293.415 0.673 20 0 CCADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CCCO)C1 ZINC001400162817 915596532 /nfs/dbraw/zinc/59/65/32/915596532.db2.gz PYXJUHVFYGRXSO-CQSZACIVSA-N 2 2 294.399 0.648 20 0 CCADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001400162817 915596550 /nfs/dbraw/zinc/59/65/50/915596550.db2.gz PYXJUHVFYGRXSO-CQSZACIVSA-N 2 2 294.399 0.648 20 0 CCADLP CC[C@H](C[N@H+](C)CCNC(=O)Cn1cc[nH+]c1)OC ZINC001492894776 915824914 /nfs/dbraw/zinc/82/49/14/915824914.db2.gz OPQZFYACNMLPLY-GFCCVEGCSA-N 2 2 268.361 0.356 20 0 CCADLP CC[C@H](C[N@@H+](C)CCNC(=O)Cn1cc[nH+]c1)OC ZINC001492894776 915824925 /nfs/dbraw/zinc/82/49/25/915824925.db2.gz OPQZFYACNMLPLY-GFCCVEGCSA-N 2 2 268.361 0.356 20 0 CCADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001418072099 921808162 /nfs/dbraw/zinc/80/81/62/921808162.db2.gz KYOSFJNOGHXRRU-VXGBXAGGSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001418072099 921808176 /nfs/dbraw/zinc/80/81/76/921808176.db2.gz KYOSFJNOGHXRRU-VXGBXAGGSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CCCC[C@H]2[NH3+])CCO1 ZINC001329569219 916021048 /nfs/dbraw/zinc/02/10/48/916021048.db2.gz NDQOSUVDTXSRRN-FRRDWIJNSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CCCC[C@H]2[NH3+])CCO1 ZINC001329569219 916021068 /nfs/dbraw/zinc/02/10/68/916021068.db2.gz NDQOSUVDTXSRRN-FRRDWIJNSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC001329850270 916224769 /nfs/dbraw/zinc/22/47/69/916224769.db2.gz BUSPSZUSZZQDAA-BDAKNGLRSA-N 2 2 263.345 0.007 20 0 CCADLP C[C@@H](CC(=O)NC[C@H](O)C[NH2+]CC1CCC1)n1cc[nH+]c1 ZINC001401563931 916326540 /nfs/dbraw/zinc/32/65/40/916326540.db2.gz DRJSJIZIFHZBJZ-GXTWGEPZSA-N 2 2 294.399 0.701 20 0 CCADLP CC[C@@H](C)C[NH2+]C[C@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001401566219 916334309 /nfs/dbraw/zinc/33/43/09/916334309.db2.gz MISGBLJKJQNDIM-PWSUYJOCSA-N 2 2 282.388 0.373 20 0 CCADLP C[C@H](C[NH2+]C[C@H]1CCOC1)NC(=O)Cc1c[nH+]cn1C ZINC001401653902 916432762 /nfs/dbraw/zinc/43/27/62/916432762.db2.gz RMNLFFHCBZGVCG-VXGBXAGGSA-N 2 2 280.372 0.093 20 0 CCADLP CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001401751363 916569974 /nfs/dbraw/zinc/56/99/74/916569974.db2.gz ARSAEBCTOMZXRJ-CHWSQXEVSA-N 2 2 298.431 0.043 20 0 CCADLP CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001401751363 916569988 /nfs/dbraw/zinc/56/99/88/916569988.db2.gz ARSAEBCTOMZXRJ-CHWSQXEVSA-N 2 2 298.431 0.043 20 0 CCADLP CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001401751363 916569998 /nfs/dbraw/zinc/56/99/98/916569998.db2.gz ARSAEBCTOMZXRJ-CHWSQXEVSA-N 2 2 298.431 0.043 20 0 CCADLP CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001401751363 916570006 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CCADLP C[C@H]1CC[C@@H](C[NH2+]C2(CNC(=O)Cc3c[nH]c[nH+]3)CC2)O1 ZINC001401964273 916731966 /nfs/dbraw/zinc/73/19/66/916731966.db2.gz TXGILCSCJIBZKH-AAEUAGOBSA-N 2 2 292.383 0.758 20 0 CCADLP C[C@H]1CC[C@H](C[NH2+]C2(CNC(=O)Cc3c[nH]c[nH+]3)CC2)O1 ZINC001401964277 916732301 /nfs/dbraw/zinc/73/23/01/916732301.db2.gz TXGILCSCJIBZKH-WCQYABFASA-N 2 2 292.383 0.758 20 0 CCADLP C[C@@H](C(=O)N[C@H](CO)C[NH+]1CCCC1)n1cc[nH+]c1 ZINC001330737376 916825446 /nfs/dbraw/zinc/82/54/46/916825446.db2.gz CAQFMAVCBPIXOW-RYUDHWBXSA-N 2 2 266.345 0.017 20 0 CCADLP C[C@@H](O)C[NH2+][C@H](CNC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001402342419 916966544 /nfs/dbraw/zinc/96/65/44/916966544.db2.gz XFUXSPNFFUMDFE-DGCLKSJQSA-N 2 2 280.372 0.138 20 0 CCADLP COC[C@@H](C)[NH2+][C@H](CNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001402367408 916980090 /nfs/dbraw/zinc/98/00/90/916980090.db2.gz SFZRFJMMLAWYHF-BXUZGUMPSA-N 2 2 294.399 0.482 20 0 CCADLP COC[C@H](C)[NH2+][C@@H](CNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001402367412 916981317 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CCADLP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC(C(N)=O)=NO2)CC1(C)C ZINC001331510657 917383334 /nfs/dbraw/zinc/38/33/34/917383334.db2.gz JOSGHQVSXCESMX-UWVGGRQHSA-N 2 2 268.361 0.079 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC(C(N)=O)=NO2)CC1(C)C ZINC001331510657 917383345 /nfs/dbraw/zinc/38/33/45/917383345.db2.gz JOSGHQVSXCESMX-UWVGGRQHSA-N 2 2 268.361 0.079 20 0 CCADLP COC[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001331563728 917419094 /nfs/dbraw/zinc/41/90/94/917419094.db2.gz HFVBPUQHBYTMQU-GHMZBOCLSA-N 2 2 268.361 0.424 20 0 CCADLP Cc1cc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn2cc[nH+]c2)on1 ZINC001403019976 917427446 /nfs/dbraw/zinc/42/74/46/917427446.db2.gz BKQQYOMBVOXVJL-NWDGAFQWSA-N 2 2 291.355 0.863 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@H+](CCO)CC1(C)C ZINC001403377678 917685851 /nfs/dbraw/zinc/68/58/51/917685851.db2.gz RWSXAXGMTIVLSK-WCQYABFASA-N 2 2 294.399 0.407 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@@H+](CCO)CC1(C)C ZINC001403377678 917685864 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LAHHXGPXWHHONL-TZMCWYRMSA-N 2 2 283.416 0.695 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC1C[NH+](C[C@H]2CC[C@@H](C)O2)C1 ZINC001404842498 918486087 /nfs/dbraw/zinc/48/60/87/918486087.db2.gz LAHHXGPXWHHONL-TZMCWYRMSA-N 2 2 283.416 0.695 20 0 CCADLP CC[C@@H](CNC(=O)Cc1c[nH+]ccc1OC)[NH2+]CCO ZINC001405245537 918688091 /nfs/dbraw/zinc/68/80/91/918688091.db2.gz AAUDHKBDQOJRIP-LBPRGKRZSA-N 2 2 281.356 0.109 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1occc1N ZINC001333635771 919057995 /nfs/dbraw/zinc/05/79/95/919057995.db2.gz LOYVMZICVYTPSA-UHFFFAOYSA-N 2 2 268.361 0.475 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1occc1N ZINC001333635771 919058005 /nfs/dbraw/zinc/05/80/05/919058005.db2.gz LOYVMZICVYTPSA-UHFFFAOYSA-N 2 2 268.361 0.475 20 0 CCADLP CCc1cc(N[C@@H](CO)C[NH+](C)C)nc(CC)[nH+]1 ZINC001333718272 919118757 /nfs/dbraw/zinc/11/87/57/919118757.db2.gz RKCYJGMAFIXGND-LLVKDONJSA-N 2 2 252.362 0.936 20 0 CCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H]1CC[N@@H+]1CCO ZINC001406825273 919481639 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C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1C[C@H]1c1cccnc1)C1CC1 ZINC001335430522 920192781 /nfs/dbraw/zinc/19/27/81/920192781.db2.gz KWHUWKIMJHJNTO-SOUVJXGZSA-N 2 2 261.369 0.982 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC001336686482 920926789 /nfs/dbraw/zinc/92/67/89/920926789.db2.gz DDEGEBAMODANAN-IJLUTSLNSA-N 2 2 262.357 0.639 20 0 CCADLP COCn1ncc(C)c1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC001336697591 920935086 /nfs/dbraw/zinc/93/50/86/920935086.db2.gz LHLGRECMCMOYIW-VXGBXAGGSA-N 2 2 250.346 0.447 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C1([NH3+])CCC1 ZINC001336742592 920973106 /nfs/dbraw/zinc/97/31/06/920973106.db2.gz QXTDNPJHZFXGPO-LLVKDONJSA-N 2 2 255.362 0.095 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C1([NH3+])CCC1 ZINC001336742592 920973122 /nfs/dbraw/zinc/97/31/22/920973122.db2.gz QXTDNPJHZFXGPO-LLVKDONJSA-N 2 2 255.362 0.095 20 0 CCADLP CS(=O)(=O)CC[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC001336805937 921024062 /nfs/dbraw/zinc/02/40/62/921024062.db2.gz YVEIVOJLZNSOSW-ZDUSSCGKSA-N 2 2 274.430 0.743 20 0 CCADLP CS(=O)(=O)CC[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001336805937 921024078 /nfs/dbraw/zinc/02/40/78/921024078.db2.gz YVEIVOJLZNSOSW-ZDUSSCGKSA-N 2 2 274.430 0.743 20 0 CCADLP C[C@H]1CC[C@H]1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336890446 921083273 /nfs/dbraw/zinc/08/32/73/921083273.db2.gz GKFOUJMWVGPQBK-CMPLNLGQSA-N 2 2 254.378 0.507 20 0 CCADLP C[C@@H](CNC(=O)[C@]12C[C@H]1CCC[NH2+]2)Cn1cc[nH+]c1 ZINC001340044019 921928625 /nfs/dbraw/zinc/92/86/25/921928625.db2.gz FAJYAUXRZJBVOE-SCRDCRAPSA-N 2 2 262.357 0.778 20 0 CCADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]C[C@H]1CCCCO1 ZINC001418257662 921965074 /nfs/dbraw/zinc/96/50/74/921965074.db2.gz QGQREJRCFNDYIA-UONOGXRCSA-N 2 2 294.399 0.937 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1nncs1 ZINC001418260426 921969551 /nfs/dbraw/zinc/96/95/51/921969551.db2.gz HJDNVMVIJBKTGH-VHSXEESVSA-N 2 2 283.401 0.227 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1nncs1 ZINC001418260426 921969564 /nfs/dbraw/zinc/96/95/64/921969564.db2.gz HJDNVMVIJBKTGH-VHSXEESVSA-N 2 2 283.401 0.227 20 0 CCADLP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001340180654 921997446 /nfs/dbraw/zinc/99/74/46/921997446.db2.gz FGHXEDVDCMKTAT-IJLUTSLNSA-N 2 2 262.357 0.689 20 0 CCADLP CC(C)C[C@@H](C(=O)N1CC[C@H]([NH2+]CCO)C1)n1cc[nH+]c1 ZINC001418329630 922029879 /nfs/dbraw/zinc/02/98/79/922029879.db2.gz HDRFXHZLKUEEOA-KBPBESRZSA-N 2 2 294.399 0.653 20 0 CCADLP CC[C@@H](C(=O)NCC1=CC[NH2+]CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC001340282211 922036450 /nfs/dbraw/zinc/03/64/50/922036450.db2.gz QFZWQARUFFGEAS-GJZGRUSLSA-N 2 2 295.427 0.912 20 0 CCADLP CC[C@@H](C(=O)NCC1=CC[NH2+]CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC001340282211 922036465 /nfs/dbraw/zinc/03/64/65/922036465.db2.gz QFZWQARUFFGEAS-GJZGRUSLSA-N 2 2 295.427 0.912 20 0 CCADLP C[C@@H](CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]CCF ZINC001418402854 922083025 /nfs/dbraw/zinc/08/30/25/922083025.db2.gz DMDCCGKFPDPRIR-RYUDHWBXSA-N 2 2 282.363 0.899 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H](C)CCNC(=O)CCc1c[nH+]cn1C ZINC001418429794 922097259 /nfs/dbraw/zinc/09/72/59/922097259.db2.gz HCZFELCBEJPYFR-NWDGAFQWSA-N 2 2 282.388 0.218 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001340557708 922123961 /nfs/dbraw/zinc/12/39/61/922123961.db2.gz PESWSLCBKFRXOL-WOPDTQHZSA-N 2 2 262.357 0.784 20 0 CCADLP C[C@@H]1CC[C@@H](C[N@H+](C)CCNC(=O)Cc2[nH]cc[nH+]2)O1 ZINC001418507802 922197136 /nfs/dbraw/zinc/19/71/36/922197136.db2.gz XWYJMFWTEZBOPU-NEPJUHHUSA-N 2 2 280.372 0.568 20 0 CCADLP C[C@@H]1CC[C@@H](C[N@@H+](C)CCNC(=O)Cc2[nH]cc[nH+]2)O1 ZINC001418507802 922197140 /nfs/dbraw/zinc/19/71/40/922197140.db2.gz XWYJMFWTEZBOPU-NEPJUHHUSA-N 2 2 280.372 0.568 20 0 CCADLP C[NH2+]CCOCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001340835230 922233230 /nfs/dbraw/zinc/23/32/30/922233230.db2.gz YKIUQHMWETWLIH-UHFFFAOYSA-N 2 2 262.313 0.529 20 0 CCADLP C[C@@H]1C[C@H](C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC[NH2+]1 ZINC001340840557 922238486 /nfs/dbraw/zinc/23/84/86/922238486.db2.gz ZXKMNRVQOSRPPD-FRRDWIJNSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1C[C@H](C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC[NH2+]1 ZINC001340840557 922238498 /nfs/dbraw/zinc/23/84/98/922238498.db2.gz ZXKMNRVQOSRPPD-FRRDWIJNSA-N 2 2 269.389 0.211 20 0 CCADLP Nc1cccc(C(=O)NCC[NH+]2CCC([NH3+])CC2)c1 ZINC001340942685 922287446 /nfs/dbraw/zinc/28/74/46/922287446.db2.gz MDXXOWDMWQHWFD-UHFFFAOYSA-N 2 2 262.357 0.422 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001418737779 922400005 /nfs/dbraw/zinc/40/00/05/922400005.db2.gz DQYIVRMNJNXHOO-MELADBBJSA-N 2 2 294.399 0.793 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]2CC[C@]21C[NH3+] ZINC001341446857 922488839 /nfs/dbraw/zinc/48/88/39/922488839.db2.gz JMYKUOZJXFPZNY-RISCZKNCSA-N 2 2 262.357 0.991 20 0 CCADLP CC(C)C[C@@H](C)C[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001418965202 922522713 /nfs/dbraw/zinc/52/27/13/922522713.db2.gz HFQMSRQZNUEFBS-HIFRSBDPSA-N 2 2 297.443 0.800 20 0 CCADLP CC(C)C[C@@H](C)C[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001418965202 922522723 /nfs/dbraw/zinc/52/27/23/922522723.db2.gz HFQMSRQZNUEFBS-HIFRSBDPSA-N 2 2 297.443 0.800 20 0 CCADLP Cc1nnc(CC[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)o1 ZINC001341616512 922584927 /nfs/dbraw/zinc/58/49/27/922584927.db2.gz RKFWCRWMYPDYGM-ZDUSSCGKSA-N 2 2 268.361 0.309 20 0 CCADLP Cc1nnc(CC[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)o1 ZINC001341616512 922584934 /nfs/dbraw/zinc/58/49/34/922584934.db2.gz RKFWCRWMYPDYGM-ZDUSSCGKSA-N 2 2 268.361 0.309 20 0 CCADLP CC1(C)C[NH2+]C[C@@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001342113306 922812796 /nfs/dbraw/zinc/81/27/96/922812796.db2.gz ZWNNZGMPQROHCG-QWRGUYRKSA-N 2 2 262.357 0.560 20 0 CCADLP Cc1nocc1C[NH2+]C[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001419549742 922908716 /nfs/dbraw/zinc/90/87/16/922908716.db2.gz VSMQMIWORUCVLM-LLVKDONJSA-N 2 2 291.355 0.722 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001419621284 922952472 /nfs/dbraw/zinc/95/24/72/922952472.db2.gz SSXPQABGIBYVQC-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP CO[C@@H](C)C[N@H+]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001419621284 922952481 /nfs/dbraw/zinc/95/24/81/922952481.db2.gz SSXPQABGIBYVQC-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)C1([NH3+])CCC1 ZINC001342607697 923022868 /nfs/dbraw/zinc/02/28/68/923022868.db2.gz MEAXYHTUPMJIKS-NSHDSACASA-N 2 2 255.362 0.095 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cnon1 ZINC001419772105 923084834 /nfs/dbraw/zinc/08/48/34/923084834.db2.gz SNOYHRDBVSZPSX-YPMHNXCESA-N 2 2 295.387 0.538 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cnon1 ZINC001419772105 923084853 /nfs/dbraw/zinc/08/48/53/923084853.db2.gz SNOYHRDBVSZPSX-YPMHNXCESA-N 2 2 295.387 0.538 20 0 CCADLP CC[NH+]1CCN(C(=O)c2nc(C[NH3+])sc2C)CC1 ZINC001343339813 923276937 /nfs/dbraw/zinc/27/69/37/923276937.db2.gz OBEDAXIUGXTBOU-UHFFFAOYSA-N 2 2 268.386 0.688 20 0 CCADLP [NH3+][C@@H](CC(=O)N[C@H]1CC[NH2+]C2(CCC2)C1)C(F)F ZINC001343715138 923438040 /nfs/dbraw/zinc/43/80/40/923438040.db2.gz SNEYOAOCKAVNGQ-IUCAKERBSA-N 2 2 261.316 0.760 20 0 CCADLP COC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001420255740 923460059 /nfs/dbraw/zinc/46/00/59/923460059.db2.gz OPUAXBRFSUBOPF-STQMWFEESA-N 2 2 294.399 0.528 20 0 CCADLP COC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001420255740 923460062 /nfs/dbraw/zinc/46/00/62/923460062.db2.gz OPUAXBRFSUBOPF-STQMWFEESA-N 2 2 294.399 0.528 20 0 CCADLP COC[C@@H](C)[N@H+](C)CCNC(=O)CCc1[nH+]ccn1C ZINC001420276449 923489974 /nfs/dbraw/zinc/48/99/74/923489974.db2.gz YTZRSNFQVBPTDE-GFCCVEGCSA-N 2 2 282.388 0.436 20 0 CCADLP COC[C@@H](C)[N@@H+](C)CCNC(=O)CCc1[nH+]ccn1C ZINC001420276449 923489977 /nfs/dbraw/zinc/48/99/77/923489977.db2.gz YTZRSNFQVBPTDE-GFCCVEGCSA-N 2 2 282.388 0.436 20 0 CCADLP C[C@@H]1C[C@@H](C[N@H+](C)CCNC(=O)Cn2cc[nH+]c2)CCO1 ZINC001420360686 923579242 /nfs/dbraw/zinc/57/92/42/923579242.db2.gz AALWJDRBKCDYKH-KGLIPLIRSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@@H]1C[C@@H](C[N@@H+](C)CCNC(=O)Cn2cc[nH+]c2)CCO1 ZINC001420360686 923579254 /nfs/dbraw/zinc/57/92/54/923579254.db2.gz AALWJDRBKCDYKH-KGLIPLIRSA-N 2 2 294.399 0.746 20 0 CCADLP CC[N@H+](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C[C@H](C)O ZINC001420404007 923628621 /nfs/dbraw/zinc/62/86/21/923628621.db2.gz KQKMHISMKYVEBY-STQMWFEESA-N 2 2 294.399 0.264 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C[C@H](C)O ZINC001420404007 923628630 /nfs/dbraw/zinc/62/86/30/923628630.db2.gz KQKMHISMKYVEBY-STQMWFEESA-N 2 2 294.399 0.264 20 0 CCADLP CC[C@H](C[N@H+](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1)OC ZINC001420643829 923845537 /nfs/dbraw/zinc/84/55/37/923845537.db2.gz XRYAYZOFJOYJLU-VXGBXAGGSA-N 2 2 282.388 0.814 20 0 CCADLP CC[C@H](C[N@@H+](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1)OC ZINC001420643829 923845552 /nfs/dbraw/zinc/84/55/52/923845552.db2.gz XRYAYZOFJOYJLU-VXGBXAGGSA-N 2 2 282.388 0.814 20 0 CCADLP COCC[N@H+](C)C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001420662418 923861543 /nfs/dbraw/zinc/86/15/43/923861543.db2.gz MJGRFXQMZUXTGT-LBPRGKRZSA-N 2 2 282.388 0.436 20 0 CCADLP COCC[N@@H+](C)C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001420662418 923861548 /nfs/dbraw/zinc/86/15/48/923861548.db2.gz MJGRFXQMZUXTGT-LBPRGKRZSA-N 2 2 282.388 0.436 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CC[NH2+][C@H]1C ZINC001346582400 924269187 /nfs/dbraw/zinc/26/91/87/924269187.db2.gz IOOQIAZRLUTERZ-FRRDWIJNSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCCCn1cc[nH+]c1 ZINC001347650381 924502430 /nfs/dbraw/zinc/50/24/30/924502430.db2.gz PSBXEOGWXHKLNJ-KGLIPLIRSA-N 2 2 291.399 0.168 20 0 CCADLP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCCCn1cc[nH+]c1 ZINC001347650381 924502438 /nfs/dbraw/zinc/50/24/38/924502438.db2.gz PSBXEOGWXHKLNJ-KGLIPLIRSA-N 2 2 291.399 0.168 20 0 CCADLP COc1c(N)[nH+]cnc1N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001348565718 924729745 /nfs/dbraw/zinc/72/97/45/924729745.db2.gz RWYLEBFDBVDSSZ-IVZWLZJFSA-N 2 2 263.345 0.820 20 0 CCADLP COc1c(N)[nH+]cnc1N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001348565718 924729755 /nfs/dbraw/zinc/72/97/55/924729755.db2.gz RWYLEBFDBVDSSZ-IVZWLZJFSA-N 2 2 263.345 0.820 20 0 CCADLP Cn1cc[nH+]c1CCNC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC001349277519 924919470 /nfs/dbraw/zinc/91/94/70/924919470.db2.gz LEKXDFCFDHNUIO-GFCCVEGCSA-N 2 2 262.357 0.706 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC001351130959 925365328 /nfs/dbraw/zinc/36/53/28/925365328.db2.gz ULGFTWLGOJNKJJ-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCn2cncc2C1)C1CC1 ZINC001353340705 925805986 /nfs/dbraw/zinc/80/59/86/925805986.db2.gz SNJUUMCYTJYTLO-RISCZKNCSA-N 2 2 264.373 0.243 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCn2cncc2C1)C1CC1 ZINC001353340705 925805996 /nfs/dbraw/zinc/80/59/96/925805996.db2.gz SNJUUMCYTJYTLO-RISCZKNCSA-N 2 2 264.373 0.243 20 0 CCADLP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1nncs1)[NH+](C)C ZINC001480486803 925831059 /nfs/dbraw/zinc/83/10/59/925831059.db2.gz PHUDYBKFRHOREI-NXEZZACHSA-N 2 2 285.417 0.473 20 0 CCADLP Cn1c[nH+]cc1C1CCN(C(=O)C[NH+](C)C)CC1 ZINC001353486530 925846593 /nfs/dbraw/zinc/84/65/93/925846593.db2.gz VKLIILCNNHJKMS-UHFFFAOYSA-N 2 2 250.346 0.688 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001353500910 925852474 /nfs/dbraw/zinc/85/24/74/925852474.db2.gz SBLGOIRQPLGCHZ-PWSUYJOCSA-N 2 2 263.345 0.314 20 0 CCADLP CCC[NH2+]CCNC(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC001353591617 925878917 /nfs/dbraw/zinc/87/89/17/925878917.db2.gz QLHJNNRMDLNSTH-ZIAGYGMSSA-N 2 2 285.432 0.992 20 0 CCADLP CCC[NH2+]CCNC(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC001353591617 925878923 /nfs/dbraw/zinc/87/89/23/925878923.db2.gz QLHJNNRMDLNSTH-ZIAGYGMSSA-N 2 2 285.432 0.992 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC001356608177 926410501 /nfs/dbraw/zinc/41/05/01/926410501.db2.gz WJEXRJXKVDMHGR-NWDGAFQWSA-N 2 2 257.378 0.149 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1[C@H](C)C[NH2+][C@H](C)[C@@H]1C ZINC001358176606 926652230 /nfs/dbraw/zinc/65/22/30/926652230.db2.gz PGHQFUOEIVYUNK-KKZNHRDASA-N 2 2 250.346 0.858 20 0 CCADLP C[C@@H](CN1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)C[NH+]1CCOCC1 ZINC001414005314 926812040 /nfs/dbraw/zinc/81/20/40/926812040.db2.gz LRLAEHNPYCUPRV-OAGGEKHMSA-N 2 2 299.459 0.342 20 0 CCADLP C[C@@H](CN1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)C[NH+]1CCOCC1 ZINC001414005314 926812051 /nfs/dbraw/zinc/81/20/51/926812051.db2.gz LRLAEHNPYCUPRV-OAGGEKHMSA-N 2 2 299.459 0.342 20 0 CCADLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2nncn2C)CC1 ZINC001421920064 926998802 /nfs/dbraw/zinc/99/88/02/926998802.db2.gz XIOCQGLYYQEZOJ-UHFFFAOYSA-N 2 2 280.420 0.321 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H](c2cnccn2)C1)C1CC1 ZINC001422327654 927223380 /nfs/dbraw/zinc/22/33/80/927223380.db2.gz SJXLNMSBAXYBMZ-OCCSQVGLSA-N 2 2 276.384 0.721 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H](c2cnccn2)C1)C1CC1 ZINC001422327654 927223397 /nfs/dbraw/zinc/22/33/97/927223397.db2.gz SJXLNMSBAXYBMZ-OCCSQVGLSA-N 2 2 276.384 0.721 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H](c2cnccn2)C1)C1CC1 ZINC001422327654 927223410 /nfs/dbraw/zinc/22/34/10/927223410.db2.gz SJXLNMSBAXYBMZ-OCCSQVGLSA-N 2 2 276.384 0.721 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H](c2cnccn2)C1)C1CC1 ZINC001422327654 927223424 /nfs/dbraw/zinc/22/34/24/927223424.db2.gz SJXLNMSBAXYBMZ-OCCSQVGLSA-N 2 2 276.384 0.721 20 0 CCADLP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001361743491 927293851 /nfs/dbraw/zinc/29/38/51/927293851.db2.gz QPFGJATTXDWBQA-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C)o1 ZINC001422617321 927410005 /nfs/dbraw/zinc/41/00/05/927410005.db2.gz HTAVMQHILWHHSL-MNOVXSKESA-N 2 2 297.403 0.874 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)o1 ZINC001422617321 927410011 /nfs/dbraw/zinc/41/00/11/927410011.db2.gz HTAVMQHILWHHSL-MNOVXSKESA-N 2 2 297.403 0.874 20 0 CCADLP C[C@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)N1CC[NH+](C)CC1 ZINC001422655141 927439792 /nfs/dbraw/zinc/43/97/92/927439792.db2.gz PCYVKCRXBWMYHR-CQSZACIVSA-N 3 2 291.443 0.873 20 0 CCADLP CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1nnc(C)[nH]1)[NH+](C)C ZINC001422694287 927455623 /nfs/dbraw/zinc/45/56/23/927455623.db2.gz DAPAHXWJZAAKPJ-NHCYSSNCSA-N 2 2 296.419 0.609 20 0 CCADLP CC[N@@H+]1CC[C@H]1C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC001362040630 927549144 /nfs/dbraw/zinc/54/91/44/927549144.db2.gz NQDNMFRWGLTXNC-KBPBESRZSA-N 2 2 282.432 0.080 20 0 CCADLP CC[N@H+]1CC[C@H]1C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC001362040630 927549160 /nfs/dbraw/zinc/54/91/60/927549160.db2.gz NQDNMFRWGLTXNC-KBPBESRZSA-N 2 2 282.432 0.080 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)CN(C)C(=O)C[NH+]2CCCC2)[nH]1 ZINC001423170626 927705560 /nfs/dbraw/zinc/70/55/60/927705560.db2.gz SHECSTMXPNSYCY-NSHDSACASA-N 2 2 294.403 0.145 20 0 CCADLP CC[NH+](CC)CC(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001362198925 927722273 /nfs/dbraw/zinc/72/22/73/927722273.db2.gz IWHMBVUGJVMXCD-CYBMUJFWSA-N 2 2 297.399 0.224 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC001362229992 927753321 /nfs/dbraw/zinc/75/33/21/927753321.db2.gz OADQXMNINHVIIW-GXTWGEPZSA-N 2 2 276.384 0.905 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC001362229992 927753327 /nfs/dbraw/zinc/75/33/27/927753327.db2.gz OADQXMNINHVIIW-GXTWGEPZSA-N 2 2 276.384 0.905 20 0 CCADLP COC[C@H](C)[NH2+]C[C@]1(C)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001423639375 927946776 /nfs/dbraw/zinc/94/67/76/927946776.db2.gz AZLGXCAVHWMRBH-ZFWWWQNUSA-N 2 2 294.399 0.746 20 0 CCADLP CC[N@H+](C)[C@H]1CCN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC001424956202 928364466 /nfs/dbraw/zinc/36/44/66/928364466.db2.gz NQZVIYTZLGTYJI-LBPRGKRZSA-N 2 2 286.401 0.239 20 0 CCADLP CC[N@@H+](C)[C@H]1CCN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC001424956202 928364471 /nfs/dbraw/zinc/36/44/71/928364471.db2.gz NQZVIYTZLGTYJI-LBPRGKRZSA-N 2 2 286.401 0.239 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[N@H+](C)CCCO ZINC001425024218 928403989 /nfs/dbraw/zinc/40/39/89/928403989.db2.gz KKTNZYAOXKPARY-YNEHKIRRSA-N 2 2 294.399 0.343 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[N@@H+](C)CCCO ZINC001425024218 928403997 /nfs/dbraw/zinc/40/39/97/928403997.db2.gz KKTNZYAOXKPARY-YNEHKIRRSA-N 2 2 294.399 0.343 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)C1 ZINC001362743655 928433155 /nfs/dbraw/zinc/43/31/55/928433155.db2.gz YVNWQMRNCYETND-AAEUAGOBSA-N 2 2 277.372 0.224 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)C1 ZINC001362743655 928433163 /nfs/dbraw/zinc/43/31/63/928433163.db2.gz YVNWQMRNCYETND-AAEUAGOBSA-N 2 2 277.372 0.224 20 0 CCADLP CCC[NH2+][C@@H](CO)CNC(=O)Cc1c[nH+]ccc1OC ZINC001425765453 928662736 /nfs/dbraw/zinc/66/27/36/928662736.db2.gz BTMVYSXOWIHYSG-GFCCVEGCSA-N 2 2 281.356 0.109 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H](CO)[NH2+]CC1CCCC1 ZINC001425842782 928685338 /nfs/dbraw/zinc/68/53/38/928685338.db2.gz ADCYQUUFZMVKOT-ZDUSSCGKSA-N 2 2 280.372 0.140 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)CCc2[nH+]ccn2C)CCC[N@@H+]1CCO ZINC001425926764 928708436 /nfs/dbraw/zinc/70/84/36/928708436.db2.gz IPDDODYKXXSKAK-OLZOCXBDSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)CCc2[nH+]ccn2C)CCC[N@H+]1CCO ZINC001425926764 928708441 /nfs/dbraw/zinc/70/84/41/928708441.db2.gz IPDDODYKXXSKAK-OLZOCXBDSA-N 2 2 294.399 0.314 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)CN(C)C(=O)CCCn1cc[nH+]c1 ZINC001426090299 928758379 /nfs/dbraw/zinc/75/83/79/928758379.db2.gz PEDRCFSZEIRAIK-CQSZACIVSA-N 2 2 296.415 0.823 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCCn1cc[nH+]c1 ZINC001426090299 928758404 /nfs/dbraw/zinc/75/84/04/928758404.db2.gz PEDRCFSZEIRAIK-CQSZACIVSA-N 2 2 296.415 0.823 20 0 CCADLP CNC(=O)N[C@H]1CCC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC001363326561 929117548 /nfs/dbraw/zinc/11/75/48/929117548.db2.gz JQQGCUVIXYUICV-LBPRGKRZSA-N 2 2 279.388 0.746 20 0 CCADLP CNC(=O)N[C@H]1CCC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC001363326561 929117553 /nfs/dbraw/zinc/11/75/53/929117553.db2.gz JQQGCUVIXYUICV-LBPRGKRZSA-N 2 2 279.388 0.746 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)[nH]1 ZINC001363612124 929416219 /nfs/dbraw/zinc/41/62/19/929416219.db2.gz VQUDESXCXPVVDJ-UHFFFAOYSA-N 2 2 295.383 0.738 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001443808692 929710261 /nfs/dbraw/zinc/71/02/61/929710261.db2.gz BWZACTWHEMQEHQ-KGLIPLIRSA-N 2 2 294.399 0.841 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001443808692 929710269 /nfs/dbraw/zinc/71/02/69/929710269.db2.gz BWZACTWHEMQEHQ-KGLIPLIRSA-N 2 2 294.399 0.841 20 0 CCADLP CO[C@H](C)C[N@H+](C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001372032235 929710637 /nfs/dbraw/zinc/71/06/37/929710637.db2.gz RKANPNDMZNPMLZ-CHWSQXEVSA-N 2 2 294.399 0.528 20 0 CCADLP CO[C@H](C)C[N@@H+](C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001372032235 929710644 /nfs/dbraw/zinc/71/06/44/929710644.db2.gz RKANPNDMZNPMLZ-CHWSQXEVSA-N 2 2 294.399 0.528 20 0 CCADLP Cc1ncc(C[N@H+](C)CCNC(=O)[C@H]2CCC[NH+]2C)cn1 ZINC001372129512 929739849 /nfs/dbraw/zinc/73/98/49/929739849.db2.gz KMMDMCMWXARPHB-CQSZACIVSA-N 2 2 291.399 0.427 20 0 CCADLP Cc1ncc(C[N@@H+](C)CCNC(=O)[C@H]2CCC[NH+]2C)cn1 ZINC001372129512 929739862 /nfs/dbraw/zinc/73/98/62/929739862.db2.gz KMMDMCMWXARPHB-CQSZACIVSA-N 2 2 291.399 0.427 20 0 CCADLP Cc1ncc(C[NH+](C)CCNC(=O)[C@H]2CCC[N@@H+]2C)cn1 ZINC001372129512 929739870 /nfs/dbraw/zinc/73/98/70/929739870.db2.gz KMMDMCMWXARPHB-CQSZACIVSA-N 2 2 291.399 0.427 20 0 CCADLP Cc1ncc(C[NH+](C)CCNC(=O)[C@H]2CCC[N@H+]2C)cn1 ZINC001372129512 929739878 /nfs/dbraw/zinc/73/98/78/929739878.db2.gz KMMDMCMWXARPHB-CQSZACIVSA-N 2 2 291.399 0.427 20 0 CCADLP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]C[C@H]1CCOC1 ZINC001444000124 929763380 /nfs/dbraw/zinc/76/33/80/929763380.db2.gz DKEFVFIGZDCZNF-NEPJUHHUSA-N 2 2 280.372 0.473 20 0 CCADLP CC[C@@H](C(=O)NCC[N@H+](C)Cc1cnc(C)nc1)[NH+](C)C ZINC001372193686 929763624 /nfs/dbraw/zinc/76/36/24/929763624.db2.gz YOIYFBCXJLWUKO-AWEZNQCLSA-N 2 2 293.415 0.673 20 0 CCADLP CC[C@@H](C(=O)NCC[N@@H+](C)Cc1cnc(C)nc1)[NH+](C)C ZINC001372193686 929763634 /nfs/dbraw/zinc/76/36/34/929763634.db2.gz YOIYFBCXJLWUKO-AWEZNQCLSA-N 2 2 293.415 0.673 20 0 CCADLP CC[N@H+](CCNC(=O)Cc1c[nH+]ccc1OC)C[C@@H](C)O ZINC001372365227 929821102 /nfs/dbraw/zinc/82/11/02/929821102.db2.gz ZBWMEYCZJFTFTC-GFCCVEGCSA-N 2 2 295.383 0.452 20 0 CCADLP CC[N@@H+](CCNC(=O)Cc1c[nH+]ccc1OC)C[C@@H](C)O ZINC001372365227 929821106 /nfs/dbraw/zinc/82/11/06/929821106.db2.gz ZBWMEYCZJFTFTC-GFCCVEGCSA-N 2 2 295.383 0.452 20 0 CCADLP Cc1oncc1C[NH2+]C[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001444386501 929859713 /nfs/dbraw/zinc/85/97/13/929859713.db2.gz ICLFTHNGSFBEIY-JTQLQIEISA-N 2 2 291.355 0.791 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCC[N@@H+]1CCCF ZINC001372569516 929884270 /nfs/dbraw/zinc/88/42/70/929884270.db2.gz NWCLLPCYDKUPKS-LBPRGKRZSA-N 2 2 282.363 0.903 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCC[N@H+]1CCCF ZINC001372569516 929884284 /nfs/dbraw/zinc/88/42/84/929884284.db2.gz NWCLLPCYDKUPKS-LBPRGKRZSA-N 2 2 282.363 0.903 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC001372677384 929909547 /nfs/dbraw/zinc/90/95/47/929909547.db2.gz DSJDZQWQFRQVGV-ZIAGYGMSSA-N 2 2 292.383 0.358 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001372677384 929909555 /nfs/dbraw/zinc/90/95/55/929909555.db2.gz DSJDZQWQFRQVGV-ZIAGYGMSSA-N 2 2 292.383 0.358 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CCO ZINC001444896711 929968226 /nfs/dbraw/zinc/96/82/26/929968226.db2.gz SWQPWNHRFVKCFY-OCCSQVGLSA-N 2 2 294.399 0.168 20 0 CCADLP C[C@H]1CCC[N@@H+]1CCNC(=O)NCc1ccc[nH+]c1N ZINC001372844921 929984747 /nfs/dbraw/zinc/98/47/47/929984747.db2.gz FDDBZDJIRATPGU-NSHDSACASA-N 2 2 277.372 0.947 20 0 CCADLP C[C@H]1CCC[N@H+]1CCNC(=O)NCc1ccc[nH+]c1N ZINC001372844921 929984751 /nfs/dbraw/zinc/98/47/51/929984751.db2.gz FDDBZDJIRATPGU-NSHDSACASA-N 2 2 277.372 0.947 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001372986678 930037764 /nfs/dbraw/zinc/03/77/64/930037764.db2.gz DKOSENXUZJNONA-CMPLNLGQSA-N 2 2 295.387 0.439 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001372986678 930037772 /nfs/dbraw/zinc/03/77/72/930037772.db2.gz DKOSENXUZJNONA-CMPLNLGQSA-N 2 2 295.387 0.439 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001373241321 930111595 /nfs/dbraw/zinc/11/15/95/930111595.db2.gz QHTXJSCXKXWFTR-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001373241321 930111602 /nfs/dbraw/zinc/11/16/02/930111602.db2.gz QHTXJSCXKXWFTR-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H](C[NH2+]Cc1csnn1)NC(=O)C1CC[NH+](C)CC1 ZINC001445614756 930186587 /nfs/dbraw/zinc/18/65/87/930186587.db2.gz NEGNDNXPFVNWDL-JTQLQIEISA-N 2 2 297.428 0.474 20 0 CCADLP CC[C@H](C(=O)NC1C[NH+](CCOC(C)C)C1)[NH+](C)C ZINC001373432254 930191792 /nfs/dbraw/zinc/19/17/92/930191792.db2.gz DGBOURRXNCQHOL-CYBMUJFWSA-N 2 2 271.405 0.552 20 0 CCADLP CC(C)C[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCO)n1cc[nH+]c1 ZINC001445742434 930236066 /nfs/dbraw/zinc/23/60/66/930236066.db2.gz CNFUTWIOVNLHBH-KBPBESRZSA-N 2 2 296.415 0.899 20 0 CCADLP CC(C)C[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCO)n1cc[nH+]c1 ZINC001445742434 930236078 /nfs/dbraw/zinc/23/60/78/930236078.db2.gz CNFUTWIOVNLHBH-KBPBESRZSA-N 2 2 296.415 0.899 20 0 CCADLP C[C@@H](C[N@H+](C)CCF)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001445756285 930238819 /nfs/dbraw/zinc/23/88/19/930238819.db2.gz DCFCCWGQUAVWTG-NWDGAFQWSA-N 2 2 282.363 0.852 20 0 CCADLP C[C@@H](C[N@@H+](C)CCF)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001445756285 930238833 /nfs/dbraw/zinc/23/88/33/930238833.db2.gz DCFCCWGQUAVWTG-NWDGAFQWSA-N 2 2 282.363 0.852 20 0 CCADLP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]C[C@H]1CCCOC1 ZINC001373809345 930350900 /nfs/dbraw/zinc/35/09/00/930350900.db2.gz GQNIOJGHYBUCON-CHWSQXEVSA-N 2 2 294.399 0.863 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@@H]1COCC[NH+]1CC1CCC1 ZINC001447152586 930575038 /nfs/dbraw/zinc/57/50/38/930575038.db2.gz NZEZRVGNAZSPDI-OAHLLOKOSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1COCC[NH+]1CC1CCC1 ZINC001447152586 930575043 /nfs/dbraw/zinc/57/50/43/930575043.db2.gz NZEZRVGNAZSPDI-OAHLLOKOSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[NH+](C)CC(=O)NC[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001447152586 930575050 /nfs/dbraw/zinc/57/50/50/930575050.db2.gz NZEZRVGNAZSPDI-OAHLLOKOSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[NH+](C)CC(=O)NC[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001447152586 930575055 /nfs/dbraw/zinc/57/50/55/930575055.db2.gz NZEZRVGNAZSPDI-OAHLLOKOSA-N 2 2 297.443 0.945 20 0 CCADLP COC[C@@H](C)[N@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001447375027 930618558 /nfs/dbraw/zinc/61/85/58/930618558.db2.gz PUNYOTPLOZHACR-CYBMUJFWSA-N 2 2 282.388 0.698 20 0 CCADLP COC[C@@H](C)[N@@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001447375027 930618567 /nfs/dbraw/zinc/61/85/67/930618567.db2.gz PUNYOTPLOZHACR-CYBMUJFWSA-N 2 2 282.388 0.698 20 0 CCADLP CC[NH2+]CC1(O)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001447597298 930667268 /nfs/dbraw/zinc/66/72/68/930667268.db2.gz FIVXVLPELQDKJU-ZDUSSCGKSA-N 2 2 294.399 0.797 20 0 CCADLP C[C@@H](C[NH2+]Cc1nncs1)NC(=O)C[NH+]1CCCC1 ZINC001374977058 930741584 /nfs/dbraw/zinc/74/15/84/930741584.db2.gz NTBIMXDFTRTFTB-JTQLQIEISA-N 2 2 283.401 0.228 20 0 CCADLP C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H](C)[NH2+]CCO ZINC001447892262 930747824 /nfs/dbraw/zinc/74/78/24/930747824.db2.gz XJUFIAVPCJASTM-VHSXEESVSA-N 2 2 276.340 0.652 20 0 CCADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1ccccn1 ZINC001447933862 930759192 /nfs/dbraw/zinc/75/91/92/930759192.db2.gz CSTGFHWKMMCXHB-QWHCGFSZSA-N 2 2 287.367 0.961 20 0 CCADLP CCC[NH+]1CC(CCO)(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001448199166 930851441 /nfs/dbraw/zinc/85/14/41/930851441.db2.gz HGTJVUFRTDKRJP-ZIAGYGMSSA-N 2 2 297.443 0.822 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1[C@H]2C[N@H+](CCCF)C[C@H]21 ZINC001448435630 930887583 /nfs/dbraw/zinc/88/75/83/930887583.db2.gz IWMXGPSJUHHXDY-ZSOGYDGISA-N 2 2 294.374 0.927 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1[C@H]2C[N@@H+](CCCF)C[C@H]21 ZINC001448435630 930887586 /nfs/dbraw/zinc/88/75/86/930887586.db2.gz IWMXGPSJUHHXDY-ZSOGYDGISA-N 2 2 294.374 0.927 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001375520213 930907299 /nfs/dbraw/zinc/90/72/99/930907299.db2.gz WZUFXQGTJSQNLJ-WCFLWFBJSA-N 2 2 294.399 0.780 20 0 CCADLP CC[C@H](C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1)OC ZINC001448522403 930910389 /nfs/dbraw/zinc/91/03/89/930910389.db2.gz SSVKMDGZDCLXIS-JHJVBQTASA-N 2 2 294.399 0.862 20 0 CCADLP C[C@@H](O)C[NH+]1CCC(C)(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001375774738 930972752 /nfs/dbraw/zinc/97/27/52/930972752.db2.gz HYULHXLJHAOWNU-GFCCVEGCSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@@H](O)C[NH+]1CCC(C)(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001375774738 930972765 /nfs/dbraw/zinc/97/27/65/930972765.db2.gz HYULHXLJHAOWNU-GFCCVEGCSA-N 2 2 294.399 0.694 20 0 CCADLP CCCC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001449233689 931107657 /nfs/dbraw/zinc/10/76/57/931107657.db2.gz CSVKEXOKZMMYJJ-GFCCVEGCSA-N 2 2 282.388 0.503 20 0 CCADLP CCCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001449233689 931107663 /nfs/dbraw/zinc/10/76/63/931107663.db2.gz CSVKEXOKZMMYJJ-GFCCVEGCSA-N 2 2 282.388 0.503 20 0 CCADLP C[N@H+](CCCO)C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001376294395 931117279 /nfs/dbraw/zinc/11/72/79/931117279.db2.gz YTPVNCKXVXFSQZ-AWEZNQCLSA-N 2 2 294.399 0.436 20 0 CCADLP C[N@@H+](CCCO)C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001376294395 931117286 /nfs/dbraw/zinc/11/72/86/931117286.db2.gz YTPVNCKXVXFSQZ-AWEZNQCLSA-N 2 2 294.399 0.436 20 0 CCADLP C[C@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001376490453 931166182 /nfs/dbraw/zinc/16/61/82/931166182.db2.gz OZIPARILTDGMFV-SDDRHHMPSA-N 2 2 282.363 0.948 20 0 CCADLP C[C@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001376513816 931170081 /nfs/dbraw/zinc/17/00/81/931170081.db2.gz WCWQIBMJVKFNMT-STQMWFEESA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](O)C[N@H+]1CCC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001376513816 931170084 /nfs/dbraw/zinc/17/00/84/931170084.db2.gz WCWQIBMJVKFNMT-STQMWFEESA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001376513816 931170086 /nfs/dbraw/zinc/17/00/86/931170086.db2.gz WCWQIBMJVKFNMT-STQMWFEESA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](O)C[N@H+]1CCC[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001376513816 931170089 /nfs/dbraw/zinc/17/00/89/931170089.db2.gz WCWQIBMJVKFNMT-STQMWFEESA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]Cc1cnon1 ZINC001376724479 931249853 /nfs/dbraw/zinc/24/98/53/931249853.db2.gz LKNRJZMROPMCQA-ZWNOBZJWSA-N 2 2 293.371 0.006 20 0 CCADLP Cc1ccncc1C[NH2+][C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001376834559 931297082 /nfs/dbraw/zinc/29/70/82/931297082.db2.gz LDFRPCNGLTWTSR-GFCCVEGCSA-N 2 2 287.367 0.950 20 0 CCADLP CC(C)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001376854316 931304858 /nfs/dbraw/zinc/30/48/58/931304858.db2.gz VCFNNJUMMYNQRS-CQSZACIVSA-N 2 2 294.399 0.436 20 0 CCADLP Cc1ncsc1C[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001376880858 931310830 /nfs/dbraw/zinc/31/08/30/931310830.db2.gz GUAJZMICACAMPO-JTQLQIEISA-N 2 2 293.396 0.943 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC1CCOCC1 ZINC001376891311 931313949 /nfs/dbraw/zinc/31/39/49/931313949.db2.gz ZXSOIPWQRHRPIJ-LBPRGKRZSA-N 2 2 280.372 0.404 20 0 CCADLP C[C@@H](CO)[N@@H+]1CCCN(CC[NH+]2CCO[C@@H](C)C2)CC1 ZINC000337408198 214061327 /nfs/dbraw/zinc/06/13/27/214061327.db2.gz KFAPTHPVBGKQBB-GJZGRUSLSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H](CO)[N@H+]1CCCN(CC[NH+]2CCO[C@@H](C)C2)CC1 ZINC000337408198 214061329 /nfs/dbraw/zinc/06/13/29/214061329.db2.gz KFAPTHPVBGKQBB-GJZGRUSLSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H](CO)[NH+]1CCCN(CC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000337408198 214061330 /nfs/dbraw/zinc/06/13/30/214061330.db2.gz KFAPTHPVBGKQBB-GJZGRUSLSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H](CO)[NH+]1CCCN(CC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000337408198 214061332 /nfs/dbraw/zinc/06/13/32/214061332.db2.gz KFAPTHPVBGKQBB-GJZGRUSLSA-N 2 2 285.432 0.096 20 0 CCADLP CC[N@H+](C)C[C@H]1CCN([C@@H](C)C[NH+]2CCOCC2)C1 ZINC000091589473 349468549 /nfs/dbraw/zinc/46/85/49/349468549.db2.gz WQCKQJKDXNMSDZ-LSDHHAIUSA-N 2 2 269.433 0.981 20 0 CCADLP CC[N@@H+](C)C[C@H]1CCN([C@@H](C)C[NH+]2CCOCC2)C1 ZINC000091589473 349468552 /nfs/dbraw/zinc/46/85/52/349468552.db2.gz WQCKQJKDXNMSDZ-LSDHHAIUSA-N 2 2 269.433 0.981 20 0 CCADLP C[NH+]1CCC([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000091662323 349472080 /nfs/dbraw/zinc/47/20/80/349472080.db2.gz VHSCJCDUMUFCFH-KGLIPLIRSA-N 3 2 253.390 0.533 20 0 CCADLP C[NH+]1CCC([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000091662323 349472082 /nfs/dbraw/zinc/47/20/82/349472082.db2.gz VHSCJCDUMUFCFH-KGLIPLIRSA-N 3 2 253.390 0.533 20 0 CCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000092955604 349515771 /nfs/dbraw/zinc/51/57/71/349515771.db2.gz GEPOZCSLSLKZIY-RYUDHWBXSA-N 2 2 269.389 0.211 20 0 CCADLP O=C(NCCn1cc[nH+]c1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000337539606 214145623 /nfs/dbraw/zinc/14/56/23/214145623.db2.gz INSNQIKUGUARTM-STQMWFEESA-N 2 2 277.372 0.809 20 0 CCADLP O=C(NCCn1cc[nH+]c1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000337539606 214145625 /nfs/dbraw/zinc/14/56/25/214145625.db2.gz INSNQIKUGUARTM-STQMWFEESA-N 2 2 277.372 0.809 20 0 CCADLP CC[NH+](CC)CC(=O)N1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000093045634 349522546 /nfs/dbraw/zinc/52/25/46/349522546.db2.gz FQFTXNBQWJJLCY-UHFFFAOYSA-N 2 2 279.388 0.396 20 0 CCADLP CC[NH+](CC)CC(=O)N1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000093045634 349522549 /nfs/dbraw/zinc/52/25/49/349522549.db2.gz FQFTXNBQWJJLCY-UHFFFAOYSA-N 2 2 279.388 0.396 20 0 CCADLP CC[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000093175129 349529562 /nfs/dbraw/zinc/52/95/62/349529562.db2.gz JCQCGDHDNYSNQO-KBPBESRZSA-N 2 2 283.416 0.386 20 0 CCADLP CC[C@H](O)[C@@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000093175129 349529563 /nfs/dbraw/zinc/52/95/63/349529563.db2.gz JCQCGDHDNYSNQO-KBPBESRZSA-N 2 2 283.416 0.386 20 0 CCADLP CC[NH+](CC)CC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000337596433 214172859 /nfs/dbraw/zinc/17/28/59/214172859.db2.gz JRXKVFHRJXQEIY-ZDUSSCGKSA-N 2 2 271.405 0.507 20 0 CCADLP CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CC[N@H+](C)C1 ZINC000617553230 365674884 /nfs/dbraw/zinc/67/48/84/365674884.db2.gz CWSSZFVNZWUYHB-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CC[N@@H+](C)C1 ZINC000617553230 365674886 /nfs/dbraw/zinc/67/48/86/365674886.db2.gz CWSSZFVNZWUYHB-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP Cn1cccc1C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000093821402 349554982 /nfs/dbraw/zinc/55/49/82/349554982.db2.gz TZCAPVBSDRSTHT-OAHLLOKOSA-N 2 2 290.411 0.764 20 0 CCADLP Cn1cccc1C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000093821402 349554986 /nfs/dbraw/zinc/55/49/86/349554986.db2.gz TZCAPVBSDRSTHT-OAHLLOKOSA-N 2 2 290.411 0.764 20 0 CCADLP C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C[NH3+])C[C@H](C)O1 ZINC000093873953 349555186 /nfs/dbraw/zinc/55/51/86/349555186.db2.gz ZYUQUZBJJCQOCS-RYUDHWBXSA-N 2 2 271.405 0.539 20 0 CCADLP C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C[NH3+])C[C@H](C)O1 ZINC000093873953 349555187 /nfs/dbraw/zinc/55/51/87/349555187.db2.gz ZYUQUZBJJCQOCS-RYUDHWBXSA-N 2 2 271.405 0.539 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@H]2CCCC[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000423877316 529377373 /nfs/dbraw/zinc/37/73/73/529377373.db2.gz OWYXWGXRXJZZGQ-KFWWJZLASA-N 2 2 295.427 0.698 20 0 CCADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000456367430 529387827 /nfs/dbraw/zinc/38/78/27/529387827.db2.gz DNTVKTLNFDGVBK-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000456367430 529387829 /nfs/dbraw/zinc/38/78/29/529387829.db2.gz DNTVKTLNFDGVBK-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@@H]1C[NH+](CC)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000456367430 529387832 /nfs/dbraw/zinc/38/78/32/529387832.db2.gz DNTVKTLNFDGVBK-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@@H]1C[NH+](CC)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000456367430 529387833 /nfs/dbraw/zinc/38/78/33/529387833.db2.gz DNTVKTLNFDGVBK-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@@H]1C[N@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@H]1O ZINC000425342765 529398524 /nfs/dbraw/zinc/39/85/24/529398524.db2.gz ZYAKNRMCSOTRMR-ZYHUDNBSSA-N 2 2 252.362 0.689 20 0 CCADLP CC[C@@H]1C[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@H]1O ZINC000425342765 529398526 /nfs/dbraw/zinc/39/85/26/529398526.db2.gz ZYAKNRMCSOTRMR-ZYHUDNBSSA-N 2 2 252.362 0.689 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000423753750 529417035 /nfs/dbraw/zinc/41/70/35/529417035.db2.gz HFCWCEPKJVIMRY-WXHSDQCUSA-N 2 2 269.389 0.339 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000423753750 529417036 /nfs/dbraw/zinc/41/70/36/529417036.db2.gz HFCWCEPKJVIMRY-WXHSDQCUSA-N 2 2 269.389 0.339 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CC(C)(C)O)C2)CC1 ZINC000684281961 545640156 /nfs/dbraw/zinc/64/01/56/545640156.db2.gz UILUKTWIPLFWRF-GFCCVEGCSA-N 2 2 283.416 0.432 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CC(C)(C)O)C2)CC1 ZINC000684281961 545640160 /nfs/dbraw/zinc/64/01/60/545640160.db2.gz UILUKTWIPLFWRF-GFCCVEGCSA-N 2 2 283.416 0.432 20 0 CCADLP CC[NH+]1CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000105785102 349724081 /nfs/dbraw/zinc/72/40/81/349724081.db2.gz OPCYFPSHKLAVEV-CYBMUJFWSA-N 2 2 291.399 0.580 20 0 CCADLP Cc1occc1C(=O)NC1CC[NH+](CC[NH3+])CC1 ZINC000104355144 349714867 /nfs/dbraw/zinc/71/48/67/349714867.db2.gz AKCLQIFKACVOLI-UHFFFAOYSA-N 2 2 251.330 0.741 20 0 CCADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)N1CCc2sccc2C1 ZINC000107577076 349738852 /nfs/dbraw/zinc/73/88/52/349738852.db2.gz DLPRALJPRQKUGL-CHWSQXEVSA-N 2 2 291.420 0.784 20 0 CCADLP Cc1ccc(CNC(=O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107579321 349738971 /nfs/dbraw/zinc/73/89/71/349738971.db2.gz QLKYTXKMNAEKIL-GJZGRUSLSA-N 2 2 273.380 0.762 20 0 CCADLP O=c1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)nc2ccccn12 ZINC000107855684 349741543 /nfs/dbraw/zinc/74/15/43/349741543.db2.gz BQIUXTDANCZJHM-VXGBXAGGSA-N 2 2 270.336 0.346 20 0 CCADLP C[N@@H+]1CCC[C@@H](CNC(=O)NCCn2cc[nH+]c2)C1 ZINC000108537141 349748890 /nfs/dbraw/zinc/74/88/90/349748890.db2.gz XNBANWNQEJVQJU-LBPRGKRZSA-N 2 2 265.361 0.524 20 0 CCADLP CNS(=O)(=O)CCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000600635967 362026222 /nfs/dbraw/zinc/02/62/22/362026222.db2.gz MZCPDABKTBSRPN-LBPRGKRZSA-N 2 2 286.401 0.459 20 0 CCADLP CNS(=O)(=O)CCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000600635967 362026223 /nfs/dbraw/zinc/02/62/23/362026223.db2.gz MZCPDABKTBSRPN-LBPRGKRZSA-N 2 2 286.401 0.459 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@H+](CC3=Cc4ccccc4OC3)CCN2C1=O ZINC000600769334 362058343 /nfs/dbraw/zinc/05/83/43/362058343.db2.gz MYYSFKOSIMHHDF-CABCVRRESA-N 2 2 299.374 0.706 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CC3=Cc4ccccc4OC3)CCN2C1=O ZINC000600769334 362058348 /nfs/dbraw/zinc/05/83/48/362058348.db2.gz MYYSFKOSIMHHDF-CABCVRRESA-N 2 2 299.374 0.706 20 0 CCADLP C[NH+]1CCN(CC(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000600929998 362093541 /nfs/dbraw/zinc/09/35/41/362093541.db2.gz LXJLVWRORHPGHB-UHFFFAOYSA-N 2 2 287.367 0.198 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000617719069 365722589 /nfs/dbraw/zinc/72/25/89/365722589.db2.gz HFRSTWVUZVTITJ-VXGBXAGGSA-N 2 2 280.372 0.417 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000617719069 365722591 /nfs/dbraw/zinc/72/25/91/365722591.db2.gz HFRSTWVUZVTITJ-VXGBXAGGSA-N 2 2 280.372 0.417 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)CCc2c[nH+]c[nH]2)[C@@H](C)CO1 ZINC000617725155 365732212 /nfs/dbraw/zinc/73/22/12/365732212.db2.gz IBIAZQNFQHPGCS-RYUDHWBXSA-N 2 2 280.372 0.568 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)CCc2c[nH+]c[nH]2)[C@@H](C)CO1 ZINC000617725155 365732213 /nfs/dbraw/zinc/73/22/13/365732213.db2.gz IBIAZQNFQHPGCS-RYUDHWBXSA-N 2 2 280.372 0.568 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)CC2CC[NH+](C)CC2)[C@H](C)CO1 ZINC000617728527 365739155 /nfs/dbraw/zinc/73/91/55/365739155.db2.gz VJLKMZLTJMIUMR-ZIAGYGMSSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)CC2CC[NH+](C)CC2)[C@H](C)CO1 ZINC000617728527 365739158 /nfs/dbraw/zinc/73/91/58/365739158.db2.gz VJLKMZLTJMIUMR-ZIAGYGMSSA-N 2 2 297.443 0.944 20 0 CCADLP CC[N@H+](CC(=O)NCC[NH+]1C[C@@H](C)OC[C@@H]1C)C1CC1 ZINC000617730350 365740273 /nfs/dbraw/zinc/74/02/73/365740273.db2.gz LSKCLECDRIXAAR-QWHCGFSZSA-N 2 2 283.416 0.696 20 0 CCADLP CC[N@@H+](CC(=O)NCC[NH+]1C[C@@H](C)OC[C@@H]1C)C1CC1 ZINC000617730350 365740277 /nfs/dbraw/zinc/74/02/77/365740277.db2.gz LSKCLECDRIXAAR-QWHCGFSZSA-N 2 2 283.416 0.696 20 0 CCADLP CC[NH+](CC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)C1CC1 ZINC000617730350 365740284 /nfs/dbraw/zinc/74/02/84/365740284.db2.gz LSKCLECDRIXAAR-QWHCGFSZSA-N 2 2 283.416 0.696 20 0 CCADLP CC[NH+](CC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)C1CC1 ZINC000617730350 365740287 /nfs/dbraw/zinc/74/02/87/365740287.db2.gz LSKCLECDRIXAAR-QWHCGFSZSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000601000439 362124155 /nfs/dbraw/zinc/12/41/55/362124155.db2.gz BPXZFFQRDJQURV-MJBXVCDLSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C)[NH+]1CCOCC1 ZINC000601000439 362124158 /nfs/dbraw/zinc/12/41/58/362124158.db2.gz BPXZFFQRDJQURV-MJBXVCDLSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCOCC(=O)OC(C)(C)C ZINC000601144357 362156855 /nfs/dbraw/zinc/15/68/55/362156855.db2.gz JVJCKKGYQSLBOQ-VXGBXAGGSA-N 2 2 272.389 0.884 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCOCC(=O)OC(C)(C)C ZINC000601144357 362156858 /nfs/dbraw/zinc/15/68/58/362156858.db2.gz JVJCKKGYQSLBOQ-VXGBXAGGSA-N 2 2 272.389 0.884 20 0 CCADLP C[NH+](C)[C@H](C[NH2+][C@H]1CCC(=O)NC1(C)C)C1CC1 ZINC000494888906 282249178 /nfs/dbraw/zinc/24/91/78/282249178.db2.gz JJTCUWCHVPELOW-NEPJUHHUSA-N 2 2 253.390 0.973 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2CCCOCC2)C[C@@H](C)O1 ZINC000573477017 334940634 /nfs/dbraw/zinc/94/06/34/334940634.db2.gz BUAMOXZJAACNFX-KBUPBQIOSA-N 2 2 286.416 0.615 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C)[NH+](C)C ZINC000617730166 365741446 /nfs/dbraw/zinc/74/14/46/365741446.db2.gz KAOVTCQLXSVDHI-HZSPNIEDSA-N 2 2 285.432 0.798 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C)[NH+](C)C ZINC000617730166 365741452 /nfs/dbraw/zinc/74/14/52/365741452.db2.gz KAOVTCQLXSVDHI-HZSPNIEDSA-N 2 2 285.432 0.798 20 0 CCADLP C[C@@H](C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C)[NH+](C)C ZINC000617729616 365741712 /nfs/dbraw/zinc/74/17/12/365741712.db2.gz FVFNNJOCHHMZHA-SRVKXCTJSA-N 2 2 257.378 0.162 20 0 CCADLP C[C@@H](C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C)[NH+](C)C ZINC000617729616 365741717 /nfs/dbraw/zinc/74/17/17/365741717.db2.gz FVFNNJOCHHMZHA-SRVKXCTJSA-N 2 2 257.378 0.162 20 0 CCADLP C[C@@H](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH+](C)C ZINC000617759361 365762286 /nfs/dbraw/zinc/76/22/86/365762286.db2.gz FLJGFEPGJGZMMC-NWDGAFQWSA-N 2 2 264.373 0.902 20 0 CCADLP CCOC(=O)CCCNC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113516171 349815657 /nfs/dbraw/zinc/81/56/57/349815657.db2.gz ABOWWSSECGOYMC-ZDUSSCGKSA-N 2 2 299.415 0.329 20 0 CCADLP CCOC(=O)CCCNC(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113516171 349815662 /nfs/dbraw/zinc/81/56/62/349815662.db2.gz ABOWWSSECGOYMC-ZDUSSCGKSA-N 2 2 299.415 0.329 20 0 CCADLP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH+](C)C ZINC000617761358 365765045 /nfs/dbraw/zinc/76/50/45/365765045.db2.gz RGJMMPYOIDHXSX-QJPTWQEYSA-N 2 2 264.373 0.980 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCc1cncnc1 ZINC000617764079 365765881 /nfs/dbraw/zinc/76/58/81/365765881.db2.gz IEWKFBVPJSGJIC-UHFFFAOYSA-N 2 2 293.415 0.409 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCc1cncnc1 ZINC000617764079 365765889 /nfs/dbraw/zinc/76/58/89/365765889.db2.gz IEWKFBVPJSGJIC-UHFFFAOYSA-N 2 2 293.415 0.409 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(C)(C)n1cccn1 ZINC000617763112 365766128 /nfs/dbraw/zinc/76/61/28/365766128.db2.gz FOWQNMKEZZLUJK-UHFFFAOYSA-N 2 2 295.431 0.618 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(C)(C)n1cccn1 ZINC000617763112 365766136 /nfs/dbraw/zinc/76/61/36/365766136.db2.gz FOWQNMKEZZLUJK-UHFFFAOYSA-N 2 2 295.431 0.618 20 0 CCADLP C[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccnn1C ZINC000617763250 365766783 /nfs/dbraw/zinc/76/67/83/365766783.db2.gz KOANLMZTEGNFKY-ZDUSSCGKSA-N 2 2 295.431 0.523 20 0 CCADLP C[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccnn1C ZINC000617763250 365766788 /nfs/dbraw/zinc/76/67/88/365766788.db2.gz KOANLMZTEGNFKY-ZDUSSCGKSA-N 2 2 295.431 0.523 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC000617765079 365769460 /nfs/dbraw/zinc/76/94/60/365769460.db2.gz SQEFCAWAXYYGDG-UHFFFAOYSA-N 3 2 298.475 0.718 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC000617765079 365769464 /nfs/dbraw/zinc/76/94/64/365769464.db2.gz SQEFCAWAXYYGDG-UHFFFAOYSA-N 3 2 298.475 0.718 20 0 CCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@@H](F)C3)cn2)CC1 ZINC000449388706 529778319 /nfs/dbraw/zinc/77/83/19/529778319.db2.gz AUQLXWMJIFPKPL-CYBMUJFWSA-N 2 2 279.363 0.772 20 0 CCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@@H](F)C3)cn2)CC1 ZINC000449388706 529778320 /nfs/dbraw/zinc/77/83/20/529778320.db2.gz AUQLXWMJIFPKPL-CYBMUJFWSA-N 2 2 279.363 0.772 20 0 CCADLP CN(C)c1[nH+]cc(CN2CC[NH+](CC(C)(C)O)CC2)n1C ZINC000425331160 529807269 /nfs/dbraw/zinc/80/72/69/529807269.db2.gz XAAXNTRIYVRQPP-UHFFFAOYSA-N 2 2 295.431 0.375 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)n1C ZINC000425372146 529809926 /nfs/dbraw/zinc/80/99/26/529809926.db2.gz RZQUAJQDVHLJHV-HAQNSBGRSA-N 2 2 293.415 0.867 20 0 CCADLP CN(C)c1nc(NC[C@H]2CCC[N@@H+]2CCCO)cc[nH+]1 ZINC000450595232 529812456 /nfs/dbraw/zinc/81/24/56/529812456.db2.gz LWJZRIZEIAMIPJ-GFCCVEGCSA-N 2 2 279.388 0.223 20 0 CCADLP CN(C)c1nc(NC[C@H]2CCC[N@H+]2CCCO)cc[nH+]1 ZINC000450595232 529812457 /nfs/dbraw/zinc/81/24/57/529812457.db2.gz LWJZRIZEIAMIPJ-GFCCVEGCSA-N 2 2 279.388 0.223 20 0 CCADLP Cn1cc(N2CC[C@@H]([N@H+](C)CC(C)(C)C[NH3+])C2=O)cn1 ZINC000430564862 529845623 /nfs/dbraw/zinc/84/56/23/529845623.db2.gz CYAIDBXSBVHKQI-GFCCVEGCSA-N 2 2 279.388 0.442 20 0 CCADLP Cn1cc(N2CC[C@@H]([N@@H+](C)CC(C)(C)C[NH3+])C2=O)cn1 ZINC000430564862 529845625 /nfs/dbraw/zinc/84/56/25/529845625.db2.gz CYAIDBXSBVHKQI-GFCCVEGCSA-N 2 2 279.388 0.442 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000118105555 349899008 /nfs/dbraw/zinc/89/90/08/349899008.db2.gz AGDMNTSZKSUNEV-SNVBAGLBSA-N 2 2 292.339 0.239 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000118105555 349899011 /nfs/dbraw/zinc/89/90/11/349899011.db2.gz AGDMNTSZKSUNEV-SNVBAGLBSA-N 2 2 292.339 0.239 20 0 CCADLP CN(C(=O)c1cocn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479904 362284808 /nfs/dbraw/zinc/28/48/08/362284808.db2.gz YEGGMRPFZUTQCD-ZDUSSCGKSA-N 2 2 292.383 0.915 20 0 CCADLP CN(C(=O)c1cocn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479904 362284811 /nfs/dbraw/zinc/28/48/11/362284811.db2.gz YEGGMRPFZUTQCD-ZDUSSCGKSA-N 2 2 292.383 0.915 20 0 CCADLP CN(C(=O)c1cocn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479903 362285394 /nfs/dbraw/zinc/28/53/94/362285394.db2.gz YEGGMRPFZUTQCD-CYBMUJFWSA-N 2 2 292.383 0.915 20 0 CCADLP CN(C(=O)c1cocn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479903 362285397 /nfs/dbraw/zinc/28/53/97/362285397.db2.gz YEGGMRPFZUTQCD-CYBMUJFWSA-N 2 2 292.383 0.915 20 0 CCADLP CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000602019532 362460112 /nfs/dbraw/zinc/46/01/12/362460112.db2.gz FYMSZRIOZXHKLP-DNCHLWJUSA-N 2 2 282.384 0.781 20 0 CCADLP CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000602019532 362460121 /nfs/dbraw/zinc/46/01/21/362460121.db2.gz FYMSZRIOZXHKLP-DNCHLWJUSA-N 2 2 282.384 0.781 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](CCCOc2ccc3c(c2)OCO3)CCO1 ZINC000358144565 232050120 /nfs/dbraw/zinc/05/01/20/232050120.db2.gz CSKRCXRZNSABEE-CYBMUJFWSA-N 2 2 294.351 0.844 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](CCCOc2ccc3c(c2)OCO3)CCO1 ZINC000358144565 232050124 /nfs/dbraw/zinc/05/01/24/232050124.db2.gz CSKRCXRZNSABEE-CYBMUJFWSA-N 2 2 294.351 0.844 20 0 CCADLP Cc1nc(NC[C@@]2(O)CC[N@@H+](C)C2)c2c([nH+]1)CCCC2 ZINC000358311821 232079758 /nfs/dbraw/zinc/07/97/58/232079758.db2.gz SJJIUQNKYITXLG-HNNXBMFYSA-N 2 2 276.384 0.564 20 0 CCADLP Cc1nc(NC[C@@]2(O)CC[N@H+](C)C2)c2c([nH+]1)CCCC2 ZINC000358311821 232079761 /nfs/dbraw/zinc/07/97/61/232079761.db2.gz SJJIUQNKYITXLG-HNNXBMFYSA-N 2 2 276.384 0.564 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H](C)C[NH+](C)C ZINC000358502104 232114520 /nfs/dbraw/zinc/11/45/20/232114520.db2.gz OKWPHEOCIRGRGR-QWHCGFSZSA-N 2 2 286.420 0.299 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3csnn3)C2)CC1 ZINC000602195845 362552990 /nfs/dbraw/zinc/55/29/90/362552990.db2.gz NPMFABHKDJOMJS-JTQLQIEISA-N 2 2 295.412 0.436 20 0 CCADLP C[C@H](CNC(=O)c1ccnc(C[NH3+])c1)Cn1cc[nH+]c1 ZINC000361612703 232166735 /nfs/dbraw/zinc/16/67/35/232166735.db2.gz XROJCUIKWLEZND-LLVKDONJSA-N 2 2 273.340 0.803 20 0 CCADLP C[C@H](NC(=O)[C@@H]([NH3+])c1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000262718882 290761051 /nfs/dbraw/zinc/76/10/51/290761051.db2.gz XRJLPKGLADGAHH-YDHLFZDLSA-N 2 2 291.395 0.912 20 0 CCADLP CCC(C)(C)[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000655271518 412525259 /nfs/dbraw/zinc/52/52/59/412525259.db2.gz CIBCWBQUPFXYBW-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP CCC(C)(C)[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000655271518 412525263 /nfs/dbraw/zinc/52/52/63/412525263.db2.gz CIBCWBQUPFXYBW-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP CC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000602788430 362800720 /nfs/dbraw/zinc/80/07/20/362800720.db2.gz WTWJPHRDZFXIDN-CQSZACIVSA-N 2 2 253.390 0.676 20 0 CCADLP CC(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000602788430 362800724 /nfs/dbraw/zinc/80/07/24/362800724.db2.gz WTWJPHRDZFXIDN-CQSZACIVSA-N 2 2 253.390 0.676 20 0 CCADLP CCN(C#N)CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000602799414 362807488 /nfs/dbraw/zinc/80/74/88/362807488.db2.gz SPKZDGFEURVTJK-RBSFLKMASA-N 2 2 280.416 0.973 20 0 CCADLP CCN(C#N)CC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000602799414 362807491 /nfs/dbraw/zinc/80/74/91/362807491.db2.gz SPKZDGFEURVTJK-RBSFLKMASA-N 2 2 280.416 0.973 20 0 CCADLP CCc1nc(C[NH+]2CCC(OCCC[NH3+])CC2)no1 ZINC000094071960 136809635 /nfs/dbraw/zinc/80/96/35/136809635.db2.gz QOHPTBGVWMUWGI-UHFFFAOYSA-N 2 2 268.361 0.962 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cnn(C)c1 ZINC000252566884 137003144 /nfs/dbraw/zinc/00/31/44/137003144.db2.gz ZXHFPJWCVDJRAH-FPMFFAJLSA-N 2 2 264.373 0.934 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cnn(C)c1 ZINC000252566884 137003145 /nfs/dbraw/zinc/00/31/45/137003145.db2.gz ZXHFPJWCVDJRAH-FPMFFAJLSA-N 2 2 264.373 0.934 20 0 CCADLP COc1c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c(C)nn1C ZINC000261581462 137010118 /nfs/dbraw/zinc/01/01/18/137010118.db2.gz GBQKCTMSBVRHCT-WCQYABFASA-N 2 2 264.373 0.921 20 0 CCADLP COc1c(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c(C)nn1C ZINC000261581462 137010119 /nfs/dbraw/zinc/01/01/19/137010119.db2.gz GBQKCTMSBVRHCT-WCQYABFASA-N 2 2 264.373 0.921 20 0 CCADLP c1c(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)nc2ncccn12 ZINC000261580499 137010251 /nfs/dbraw/zinc/01/02/51/137010251.db2.gz FKWNYKSKPCBYRJ-CQSZACIVSA-N 2 2 257.341 0.915 20 0 CCADLP c1c(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)nc2ncccn12 ZINC000261580499 137010252 /nfs/dbraw/zinc/01/02/52/137010252.db2.gz FKWNYKSKPCBYRJ-CQSZACIVSA-N 2 2 257.341 0.915 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)NC1CCCC1 ZINC000261588706 137010914 /nfs/dbraw/zinc/01/09/14/137010914.db2.gz VWLYCYSBFRLCEJ-AAEUAGOBSA-N 2 2 251.374 0.729 20 0 CCADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)NC1CCCC1 ZINC000261588706 137010915 /nfs/dbraw/zinc/01/09/15/137010915.db2.gz VWLYCYSBFRLCEJ-AAEUAGOBSA-N 2 2 251.374 0.729 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261610371 137012482 /nfs/dbraw/zinc/01/24/82/137012482.db2.gz BEMCLPYJPIRNQV-DYEKYZERSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261610371 137012483 /nfs/dbraw/zinc/01/24/83/137012483.db2.gz BEMCLPYJPIRNQV-DYEKYZERSA-N 2 2 269.389 0.341 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261635272 137013036 /nfs/dbraw/zinc/01/30/36/137013036.db2.gz BSKBZIWXKBWODG-NWDGAFQWSA-N 2 2 282.388 0.010 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261635272 137013037 /nfs/dbraw/zinc/01/30/37/137013037.db2.gz BSKBZIWXKBWODG-NWDGAFQWSA-N 2 2 282.388 0.010 20 0 CCADLP C[C@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261656218 137014629 /nfs/dbraw/zinc/01/46/29/137014629.db2.gz YTFPYZXCZJQKNQ-FRRDWIJNSA-N 2 2 265.401 0.975 20 0 CCADLP C[C@H](C(=O)NC1CCCC1)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261656218 137014630 /nfs/dbraw/zinc/01/46/30/137014630.db2.gz YTFPYZXCZJQKNQ-FRRDWIJNSA-N 2 2 265.401 0.975 20 0 CCADLP C[C@H](C(=O)NCC[N@@H+]1CCOC(C)(C)C1)C1C[NH2+]C1 ZINC000262381592 137041102 /nfs/dbraw/zinc/04/11/02/137041102.db2.gz MYHZFQLVAXCDCC-NSHDSACASA-N 2 2 269.389 0.069 20 0 CCADLP C[C@H](C(=O)NCC[N@H+]1CCOC(C)(C)C1)C1C[NH2+]C1 ZINC000262381592 137041103 /nfs/dbraw/zinc/04/11/03/137041103.db2.gz MYHZFQLVAXCDCC-NSHDSACASA-N 2 2 269.389 0.069 20 0 CCADLP O=C(CC[C@H]1CC[NH2+]C1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000261721101 137016786 /nfs/dbraw/zinc/01/67/86/137016786.db2.gz FBSABJVHKGZARA-LSDHHAIUSA-N 2 2 295.427 0.699 20 0 CCADLP CCCn1cc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cn1 ZINC000261747977 137018083 /nfs/dbraw/zinc/01/80/83/137018083.db2.gz MPYLCYDPFRRDQZ-HNNXBMFYSA-N 2 2 277.416 0.773 20 0 CCADLP COCC1(CNC(=O)CCn2cc[nH+]c2)CC[NH2+]CC1 ZINC000261750031 137018142 /nfs/dbraw/zinc/01/81/42/137018142.db2.gz MTDRONJTYKCRIZ-UHFFFAOYSA-N 2 2 280.372 0.406 20 0 CCADLP CCn1cnnc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261857293 137023005 /nfs/dbraw/zinc/02/30/05/137023005.db2.gz BVNYNZDJRXGRCZ-JHJVBQTASA-N 2 2 279.388 0.545 20 0 CCADLP O=c1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)nc2sccn21 ZINC000261874963 137023825 /nfs/dbraw/zinc/02/38/25/137023825.db2.gz ZLWUIMFWDPSCQU-CQSZACIVSA-N 2 2 290.392 0.941 20 0 CCADLP O=c1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)nc2sccn21 ZINC000261874963 137023826 /nfs/dbraw/zinc/02/38/26/137023826.db2.gz ZLWUIMFWDPSCQU-CQSZACIVSA-N 2 2 290.392 0.941 20 0 CCADLP C[C@H](CNC(=O)CC[C@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000261904533 137025107 /nfs/dbraw/zinc/02/51/07/137025107.db2.gz ZTTXXCWCVXCBQS-OLZOCXBDSA-N 2 2 269.389 0.213 20 0 CCADLP C[NH+](C)C1(CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)CCOCC1 ZINC000263264729 137062284 /nfs/dbraw/zinc/06/22/84/137062284.db2.gz RKUICUXAZIGLPQ-SNVBAGLBSA-N 2 2 291.342 0.211 20 0 CCADLP C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000313151219 137077618 /nfs/dbraw/zinc/07/76/18/137077618.db2.gz GQACOVIMGZJNTN-GXTWGEPZSA-N 2 2 279.384 0.457 20 0 CCADLP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000313151219 137077619 /nfs/dbraw/zinc/07/76/19/137077619.db2.gz GQACOVIMGZJNTN-GXTWGEPZSA-N 2 2 279.384 0.457 20 0 CCADLP C[C@H](C(=O)N(C)Cc1[nH]cc[nH+]1)[NH+]1CCSCC1 ZINC000343539760 137140776 /nfs/dbraw/zinc/14/07/76/137140776.db2.gz LVDUMOGIVPEWAL-SNVBAGLBSA-N 2 2 268.386 0.805 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC([NH2+][C@H]2CCCOC2)CC1 ZINC000343923338 137166969 /nfs/dbraw/zinc/16/69/69/137166969.db2.gz GTVFQRQNGUJQHH-INIZCTEOSA-N 2 2 297.443 0.552 20 0 CCADLP C(C[NH+]1CCC([NH2+][C@H]2CCCOC2)CC1)N1CCOCC1 ZINC000343923338 137166970 /nfs/dbraw/zinc/16/69/70/137166970.db2.gz GTVFQRQNGUJQHH-INIZCTEOSA-N 2 2 297.443 0.552 20 0 CCADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCSCC1 ZINC000343326383 137128159 /nfs/dbraw/zinc/12/81/59/137128159.db2.gz WXYQSLHWZLGUSP-NEPJUHHUSA-N 2 2 283.441 0.777 20 0 CCADLP C[C@H](C(=O)N[C@H]1CC[N@H+](C2CC2)C1)[NH+]1CCSCC1 ZINC000343326383 137128160 /nfs/dbraw/zinc/12/81/60/137128160.db2.gz WXYQSLHWZLGUSP-NEPJUHHUSA-N 2 2 283.441 0.777 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000343345259 137129695 /nfs/dbraw/zinc/12/96/95/137129695.db2.gz QODVQTQXHQVVFP-CYBMUJFWSA-N 2 2 269.389 0.308 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000343345259 137129696 /nfs/dbraw/zinc/12/96/96/137129696.db2.gz QODVQTQXHQVVFP-CYBMUJFWSA-N 2 2 269.389 0.308 20 0 CCADLP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000343345259 137129697 /nfs/dbraw/zinc/12/96/97/137129697.db2.gz QODVQTQXHQVVFP-CYBMUJFWSA-N 2 2 269.389 0.308 20 0 CCADLP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000343345259 137129698 /nfs/dbraw/zinc/12/96/98/137129698.db2.gz QODVQTQXHQVVFP-CYBMUJFWSA-N 2 2 269.389 0.308 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCCCC[NH+]1CCOCC1 ZINC000344219573 137184410 /nfs/dbraw/zinc/18/44/10/137184410.db2.gz GEVJPICATTYLRH-UHFFFAOYSA-N 2 2 280.372 0.571 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000344227338 137184848 /nfs/dbraw/zinc/18/48/48/137184848.db2.gz STKRVVRJGZGRRL-ZBFHGGJFSA-N 3 2 282.476 0.800 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000344227338 137184849 /nfs/dbraw/zinc/18/48/49/137184849.db2.gz STKRVVRJGZGRRL-ZBFHGGJFSA-N 3 2 282.476 0.800 20 0 CCADLP [NH3+]CC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000019687532 348067375 /nfs/dbraw/zinc/06/73/75/348067375.db2.gz TZWVTCRDMAKJIR-UHFFFAOYSA-N 2 2 251.305 0.429 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3=CCOCC3)C2)CC1 ZINC000684440017 545669966 /nfs/dbraw/zinc/66/99/66/545669966.db2.gz DDIGMVIWZMDRID-AWEZNQCLSA-N 2 2 293.411 0.618 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3=CCOCC3)C2)CC1 ZINC000684440017 545669970 /nfs/dbraw/zinc/66/99/70/545669970.db2.gz DDIGMVIWZMDRID-AWEZNQCLSA-N 2 2 293.411 0.618 20 0 CCADLP CC[N@@H+]1CC[C@@H]2OCCN(CC[NH+]3CCOC[C@@H]3C)[C@@H]2C1 ZINC000339377286 215134386 /nfs/dbraw/zinc/13/43/86/215134386.db2.gz AFZQMPNASNITDN-XHSDSOJGSA-N 2 2 297.443 0.502 20 0 CCADLP CC[N@H+]1CC[C@@H]2OCCN(CC[NH+]3CCOC[C@@H]3C)[C@@H]2C1 ZINC000339377286 215134389 /nfs/dbraw/zinc/13/43/89/215134389.db2.gz AFZQMPNASNITDN-XHSDSOJGSA-N 2 2 297.443 0.502 20 0 CCADLP CC[NH+]1CC[C@@H]2OCCN(CC[N@@H+]3CCOC[C@@H]3C)[C@@H]2C1 ZINC000339377286 215134390 /nfs/dbraw/zinc/13/43/90/215134390.db2.gz AFZQMPNASNITDN-XHSDSOJGSA-N 2 2 297.443 0.502 20 0 CCADLP CC[NH+]1CC[C@@H]2OCCN(CC[N@H+]3CCOC[C@@H]3C)[C@@H]2C1 ZINC000339377286 215134393 /nfs/dbraw/zinc/13/43/93/215134393.db2.gz AFZQMPNASNITDN-XHSDSOJGSA-N 2 2 297.443 0.502 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000037008722 348178606 /nfs/dbraw/zinc/17/86/06/348178606.db2.gz GMVQQBGVVRMQEG-SRVKXCTJSA-N 2 2 257.378 0.197 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917723 348218218 /nfs/dbraw/zinc/21/82/18/348218218.db2.gz FKNTUPMKQXSAAP-OLZOCXBDSA-N 2 2 296.415 0.686 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917723 348218219 /nfs/dbraw/zinc/21/82/19/348218219.db2.gz FKNTUPMKQXSAAP-OLZOCXBDSA-N 2 2 296.415 0.686 20 0 CCADLP [NH3+]CCC[NH+]1CCN(C(=O)c2ccccc2O)CC1 ZINC000037037779 348182491 /nfs/dbraw/zinc/18/24/91/348182491.db2.gz DPJXMGIVNKWLHX-UHFFFAOYSA-N 2 2 263.341 0.499 20 0 CCADLP C[NH2+]CCCC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000037818466 348210117 /nfs/dbraw/zinc/21/01/17/348210117.db2.gz HCAKSEDQYDYHKA-UHFFFAOYSA-N 2 2 276.384 0.725 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cccc3c2OCO3)CC1 ZINC000040667610 348240462 /nfs/dbraw/zinc/24/04/62/348240462.db2.gz CTWYPIFWVPQMHS-UHFFFAOYSA-N 2 2 291.351 0.279 20 0 CCADLP CC[C@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000040856521 348245224 /nfs/dbraw/zinc/24/52/24/348245224.db2.gz KODNSCJWLFLSMY-LBPRGKRZSA-N 2 2 278.356 0.272 20 0 CCADLP CCOC(=O)N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000041325798 348251502 /nfs/dbraw/zinc/25/15/02/348251502.db2.gz RMTRXHGSGJIYAT-GFCCVEGCSA-N 2 2 255.362 0.760 20 0 CCADLP O=C(C[C@@H]1CCC[NH2+]1)N1CCN(c2cccc[nH+]2)CC1 ZINC000042165600 348267837 /nfs/dbraw/zinc/26/78/37/348267837.db2.gz VNVGGTCKUDIBFL-ZDUSSCGKSA-N 2 2 274.368 0.872 20 0 CCADLP C[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000345651212 137244682 /nfs/dbraw/zinc/24/46/82/137244682.db2.gz XUCDIWIXPBMJKK-UHFFFAOYSA-N 2 2 269.389 0.308 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CC(F)F ZINC000345696519 137246354 /nfs/dbraw/zinc/24/63/54/137246354.db2.gz RDEDQCPENYFYTM-SECBINFHSA-N 2 2 279.331 0.196 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@H]([NH3+])CC(F)F ZINC000345696519 137246355 /nfs/dbraw/zinc/24/63/55/137246355.db2.gz RDEDQCPENYFYTM-SECBINFHSA-N 2 2 279.331 0.196 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)C[NH+]1CCOCC1 ZINC000345733496 137249001 /nfs/dbraw/zinc/24/90/01/137249001.db2.gz JBARRLOBRDBRLV-MNOVXSKESA-N 2 2 291.342 0.068 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC000345823179 137254339 /nfs/dbraw/zinc/25/43/39/137254339.db2.gz UUEZTDLKTUFZDA-VWYCJHECSA-N 2 2 291.342 0.148 20 0 CCADLP C[NH+](C)C1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000346312869 137278677 /nfs/dbraw/zinc/27/86/77/137278677.db2.gz WEMNTGRVPIPZFU-UHFFFAOYSA-N 2 2 283.416 0.650 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000346544331 137292033 /nfs/dbraw/zinc/29/20/33/137292033.db2.gz JMBQMOQPKLEKJC-GFCCVEGCSA-N 2 2 262.357 0.858 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000346544331 137292034 /nfs/dbraw/zinc/29/20/34/137292034.db2.gz JMBQMOQPKLEKJC-GFCCVEGCSA-N 2 2 262.357 0.858 20 0 CCADLP C[NH2+]CCC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000043605256 348312054 /nfs/dbraw/zinc/31/20/54/348312054.db2.gz WRWCLOZWRVYWKJ-UHFFFAOYSA-N 2 2 262.357 0.335 20 0 CCADLP [NH3+][C@H]1CCC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000346110801 137268135 /nfs/dbraw/zinc/26/81/35/137268135.db2.gz WMGWHTHWSHUNII-QMMMGPOBSA-N 2 2 296.293 0.188 20 0 CCADLP [NH3+][C@H]1CCC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000346110801 137268136 /nfs/dbraw/zinc/26/81/36/137268136.db2.gz WMGWHTHWSHUNII-QMMMGPOBSA-N 2 2 296.293 0.188 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000346130155 137269114 /nfs/dbraw/zinc/26/91/14/137269114.db2.gz GGXRNDCCHYVGBO-JSGCOSHPSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000346130155 137269115 /nfs/dbraw/zinc/26/91/15/137269115.db2.gz GGXRNDCCHYVGBO-JSGCOSHPSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346841767 137307896 /nfs/dbraw/zinc/30/78/96/137307896.db2.gz HCRWWFUMFNIXNL-UONOGXRCSA-N 2 2 294.443 0.271 20 0 CCADLP C[C@@H](C(=O)NC1CC1)N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346841767 137307897 /nfs/dbraw/zinc/30/78/97/137307897.db2.gz HCRWWFUMFNIXNL-UONOGXRCSA-N 2 2 294.443 0.271 20 0 CCADLP CCC1([NH+](C)C)CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC1 ZINC000602967290 362913190 /nfs/dbraw/zinc/91/31/90/362913190.db2.gz FTZCAPKJSFRWMY-JTQLQIEISA-N 2 2 270.377 0.376 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[NH+]2CCSCC2)CC1 ZINC000047988318 348394642 /nfs/dbraw/zinc/39/46/42/348394642.db2.gz BHIIOMFRUKDUOL-UHFFFAOYSA-N 2 2 271.430 0.636 20 0 CCADLP COC1CC([NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000347377816 137333851 /nfs/dbraw/zinc/33/38/51/137333851.db2.gz ULJWPYAAJRWBLV-RUXDESIVSA-N 2 2 283.416 0.696 20 0 CCADLP COC1CC([NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000347377816 137333852 /nfs/dbraw/zinc/33/38/52/137333852.db2.gz ULJWPYAAJRWBLV-RUXDESIVSA-N 2 2 283.416 0.696 20 0 CCADLP c1n[nH]cc1CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000347739935 137353896 /nfs/dbraw/zinc/35/38/96/137353896.db2.gz UTQAYLXLSJRJNG-CQSZACIVSA-N 2 2 264.373 0.606 20 0 CCADLP c1n[nH]cc1CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000347739935 137353897 /nfs/dbraw/zinc/35/38/97/137353897.db2.gz UTQAYLXLSJRJNG-CQSZACIVSA-N 2 2 264.373 0.606 20 0 CCADLP CNC(=O)CC[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347820160 137359190 /nfs/dbraw/zinc/35/91/90/137359190.db2.gz QSFLZAVVHDVQRO-UHFFFAOYSA-N 2 2 270.402 0.773 20 0 CCADLP CNC(=O)CC[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000347820160 137359191 /nfs/dbraw/zinc/35/91/91/137359191.db2.gz QSFLZAVVHDVQRO-UHFFFAOYSA-N 2 2 270.402 0.773 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000051760976 348493746 /nfs/dbraw/zinc/49/37/46/348493746.db2.gz OPFBGLUHBLCIFI-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CCCC[NH2+]1 ZINC000060310680 348641887 /nfs/dbraw/zinc/64/18/87/348641887.db2.gz OZHOGKBWSOBNAG-STQMWFEESA-N 2 2 274.368 0.919 20 0 CCADLP O=C1OCC[C@H]1[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000064344395 348698248 /nfs/dbraw/zinc/69/82/48/348698248.db2.gz IDOQRYZLNNMMQH-CQSZACIVSA-N 2 2 282.384 0.736 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2ncc[nH]2)C1 ZINC000066593927 348749373 /nfs/dbraw/zinc/74/93/73/348749373.db2.gz MZMKJAJOSWMVDN-NSHDSACASA-N 2 2 265.361 0.087 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2ncc[nH]2)C1 ZINC000066593927 348749375 /nfs/dbraw/zinc/74/93/75/348749375.db2.gz MZMKJAJOSWMVDN-NSHDSACASA-N 2 2 265.361 0.087 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+](CCCNCc2[nH]cc[nH+]2)C1 ZINC000066593927 348749378 /nfs/dbraw/zinc/74/93/78/348749378.db2.gz MZMKJAJOSWMVDN-NSHDSACASA-N 2 2 265.361 0.087 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+](CCCNCc2[nH]cc[nH+]2)C1 ZINC000066593927 348749380 /nfs/dbraw/zinc/74/93/80/348749380.db2.gz MZMKJAJOSWMVDN-NSHDSACASA-N 2 2 265.361 0.087 20 0 CCADLP CCn1cc([C@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cn1 ZINC000068801212 348821958 /nfs/dbraw/zinc/82/19/58/348821958.db2.gz WTGKZCTVLBAAOY-GXTWGEPZSA-N 2 2 265.405 0.799 20 0 CCADLP CCn1cc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cn1 ZINC000068801212 348821961 /nfs/dbraw/zinc/82/19/61/348821961.db2.gz WTGKZCTVLBAAOY-GXTWGEPZSA-N 2 2 265.405 0.799 20 0 CCADLP CC[NH+]1CCC([NH2+][C@H]2CCCS(=O)(=O)C2)CC1 ZINC000069137268 348832807 /nfs/dbraw/zinc/83/28/07/348832807.db2.gz OMPSBDFOQYCFOD-LBPRGKRZSA-N 2 2 260.403 0.638 20 0 CCADLP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCS(=O)(=O)C2)C1 ZINC000069136862 348832951 /nfs/dbraw/zinc/83/29/51/348832951.db2.gz ZTDMZOUKMKHWMI-VXGBXAGGSA-N 2 2 260.403 0.495 20 0 CCADLP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCS(=O)(=O)C2)C1 ZINC000069136862 348832953 /nfs/dbraw/zinc/83/29/53/348832953.db2.gz ZTDMZOUKMKHWMI-VXGBXAGGSA-N 2 2 260.403 0.495 20 0 CCADLP CCn1cc[nH+]c1CN1CC[NH+](CC(C)(C)O)CC1 ZINC000070939762 348899856 /nfs/dbraw/zinc/89/98/56/348899856.db2.gz ZSSWGKDFLNKTAV-UHFFFAOYSA-N 2 2 266.389 0.792 20 0 CCADLP C[N@@H+]1CCCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000077165183 349100497 /nfs/dbraw/zinc/10/04/97/349100497.db2.gz GIWRPJLNANGVIY-UHFFFAOYSA-N 2 2 258.329 0.804 20 0 CCADLP C[N@H+]1CCCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000077165183 349100498 /nfs/dbraw/zinc/10/04/98/349100498.db2.gz GIWRPJLNANGVIY-UHFFFAOYSA-N 2 2 258.329 0.804 20 0 CCADLP C[C@H](CS(C)(=O)=O)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000081902487 349288699 /nfs/dbraw/zinc/28/86/99/349288699.db2.gz SDVRRBLXVSOKGP-SECBINFHSA-N 2 2 274.390 0.009 20 0 CCADLP Cc1[nH+]ccn1CCCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000081444987 349265917 /nfs/dbraw/zinc/26/59/17/349265917.db2.gz KRWTTZMIXDOYHI-CYBMUJFWSA-N 2 2 280.372 0.419 20 0 CCADLP Cc1[nH+]ccn1CCCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000081444987 349265921 /nfs/dbraw/zinc/26/59/21/349265921.db2.gz KRWTTZMIXDOYHI-CYBMUJFWSA-N 2 2 280.372 0.419 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000121748590 350054766 /nfs/dbraw/zinc/05/47/66/350054766.db2.gz FNIBLPIVCXJHIN-LBPRGKRZSA-N 2 2 280.372 0.489 20 0 CCADLP COC(=O)CC[N@H+]1CCN(Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000121748590 350054769 /nfs/dbraw/zinc/05/47/69/350054769.db2.gz FNIBLPIVCXJHIN-LBPRGKRZSA-N 2 2 280.372 0.489 20 0 CCADLP Cc1ccccc1CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000122571255 350066820 /nfs/dbraw/zinc/06/68/20/350066820.db2.gz ZYLUEODGAXRPQN-AWEZNQCLSA-N 2 2 261.369 0.639 20 0 CCADLP Cc1ccccc1CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000122571255 350066823 /nfs/dbraw/zinc/06/68/23/350066823.db2.gz ZYLUEODGAXRPQN-AWEZNQCLSA-N 2 2 261.369 0.639 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)NC(=O)NC2CCCC2)CC[C@@H]1[NH3+] ZINC000122712233 350069399 /nfs/dbraw/zinc/06/93/99/350069399.db2.gz OWFQNRCVLYOBKM-YPMHNXCESA-N 2 2 296.415 0.814 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CCCC2)CC[C@@H]1[NH3+] ZINC000122712233 350069403 /nfs/dbraw/zinc/06/94/03/350069403.db2.gz OWFQNRCVLYOBKM-YPMHNXCESA-N 2 2 296.415 0.814 20 0 CCADLP COCCCNC(=O)C[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000125021068 350113089 /nfs/dbraw/zinc/11/30/89/350113089.db2.gz GEHRHLPBUJPFRL-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP COCCCNC(=O)C[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000125021068 350113093 /nfs/dbraw/zinc/11/30/93/350113093.db2.gz GEHRHLPBUJPFRL-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP COCCCNC(=O)C[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000125021068 350113095 /nfs/dbraw/zinc/11/30/95/350113095.db2.gz GEHRHLPBUJPFRL-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP COCCCNC(=O)C[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000125021068 350113100 /nfs/dbraw/zinc/11/31/00/350113100.db2.gz GEHRHLPBUJPFRL-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP C(C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)C1OCCO1 ZINC000124426346 350098707 /nfs/dbraw/zinc/09/87/07/350098707.db2.gz ZIXNGGIKEMCIQZ-ZDUSSCGKSA-N 2 2 270.373 0.404 20 0 CCADLP C(C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)C1OCCO1 ZINC000124426346 350098711 /nfs/dbraw/zinc/09/87/11/350098711.db2.gz ZIXNGGIKEMCIQZ-ZDUSSCGKSA-N 2 2 270.373 0.404 20 0 CCADLP Cc1nc(CN2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)no1 ZINC000125173378 350116328 /nfs/dbraw/zinc/11/63/28/350116328.db2.gz HMCCLWBTOKBIFE-AWEZNQCLSA-N 2 2 293.415 0.980 20 0 CCADLP Cc1nc(CN2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)no1 ZINC000125173378 350116332 /nfs/dbraw/zinc/11/63/32/350116332.db2.gz HMCCLWBTOKBIFE-AWEZNQCLSA-N 2 2 293.415 0.980 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000126094425 350137579 /nfs/dbraw/zinc/13/75/79/350137579.db2.gz DZJQZBJQCZFTAP-VXGBXAGGSA-N 2 2 250.346 0.778 20 0 CCADLP c1cnn(CC[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000129560304 350217090 /nfs/dbraw/zinc/21/70/90/350217090.db2.gz GRJIFSAUVVPFDV-CQSZACIVSA-N 2 2 264.373 0.537 20 0 CCADLP c1cnn(CC[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000129560304 350217095 /nfs/dbraw/zinc/21/70/95/350217095.db2.gz GRJIFSAUVVPFDV-CQSZACIVSA-N 2 2 264.373 0.537 20 0 CCADLP CNC(=O)C[NH+]1CCC(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000128961291 350202886 /nfs/dbraw/zinc/20/28/86/350202886.db2.gz ZCSDTKAWNXIISA-JSGCOSHPSA-N 2 2 294.443 0.412 20 0 CCADLP CNC(=O)C[NH+]1CCC(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000128961291 350202888 /nfs/dbraw/zinc/20/28/88/350202888.db2.gz ZCSDTKAWNXIISA-JSGCOSHPSA-N 2 2 294.443 0.412 20 0 CCADLP O=C(C[C@H]1COCC[NH2+]1)NCCCCn1cc[nH+]c1 ZINC000129167188 350207228 /nfs/dbraw/zinc/20/72/28/350207228.db2.gz FNHBNCAQGKCGRN-LBPRGKRZSA-N 2 2 266.345 0.158 20 0 CCADLP Cn1cc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cn1 ZINC000129166172 350207709 /nfs/dbraw/zinc/20/77/09/350207709.db2.gz KOEITYTZXYDHDB-CYBMUJFWSA-N 2 2 264.373 0.574 20 0 CCADLP Cn1cc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cn1 ZINC000129166172 350207710 /nfs/dbraw/zinc/20/77/10/350207710.db2.gz KOEITYTZXYDHDB-CYBMUJFWSA-N 2 2 264.373 0.574 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]([NH3+])Cc2ccccc2)C1 ZINC000091669107 180224735 /nfs/dbraw/zinc/22/47/35/180224735.db2.gz IEORQSFXVYIKLV-UONOGXRCSA-N 2 2 277.368 0.003 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@H]([NH3+])Cc2ccccc2)C1 ZINC000091669107 180224736 /nfs/dbraw/zinc/22/47/36/180224736.db2.gz IEORQSFXVYIKLV-UONOGXRCSA-N 2 2 277.368 0.003 20 0 CCADLP CC(C)[N@H+]1C[C@H](NC(=O)NCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000130784614 350248491 /nfs/dbraw/zinc/24/84/91/350248491.db2.gz NJCWBESLTOXUEM-KBPBESRZSA-N 2 2 298.431 0.347 20 0 CCADLP CC(C)[N@@H+]1C[C@H](NC(=O)NCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000130784614 350248494 /nfs/dbraw/zinc/24/84/94/350248494.db2.gz NJCWBESLTOXUEM-KBPBESRZSA-N 2 2 298.431 0.347 20 0 CCADLP CSCC[C@@H]([NH3+])C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000130834611 350250878 /nfs/dbraw/zinc/25/08/78/350250878.db2.gz GCZQQZRPFHBGSZ-NXEZZACHSA-N 2 2 256.375 0.468 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC000131973810 350293119 /nfs/dbraw/zinc/29/31/19/350293119.db2.gz FHIGJIHONUFXNZ-UTUOFQBUSA-N 2 2 255.362 0.093 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC000131973810 350293122 /nfs/dbraw/zinc/29/31/22/350293122.db2.gz FHIGJIHONUFXNZ-UTUOFQBUSA-N 2 2 255.362 0.093 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC000131974260 350293911 /nfs/dbraw/zinc/29/39/11/350293911.db2.gz FHIGJIHONUFXNZ-WOPDTQHZSA-N 2 2 255.362 0.093 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC000131974260 350293916 /nfs/dbraw/zinc/29/39/16/350293916.db2.gz FHIGJIHONUFXNZ-WOPDTQHZSA-N 2 2 255.362 0.093 20 0 CCADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134943282 350380191 /nfs/dbraw/zinc/38/01/91/350380191.db2.gz FHDZULIPSPKGFT-DGCLKSJQSA-N 2 2 294.399 0.391 20 0 CCADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134943282 350380194 /nfs/dbraw/zinc/38/01/94/350380194.db2.gz FHDZULIPSPKGFT-DGCLKSJQSA-N 2 2 294.399 0.391 20 0 CCADLP CNC(=O)NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134943282 350380196 /nfs/dbraw/zinc/38/01/96/350380196.db2.gz FHDZULIPSPKGFT-DGCLKSJQSA-N 2 2 294.399 0.391 20 0 CCADLP CNC(=O)NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134943282 350380199 /nfs/dbraw/zinc/38/01/99/350380199.db2.gz FHDZULIPSPKGFT-DGCLKSJQSA-N 2 2 294.399 0.391 20 0 CCADLP CCCS(=O)(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000539598189 290897483 /nfs/dbraw/zinc/89/74/83/290897483.db2.gz BZCGHZFGCDURSE-UHFFFAOYSA-N 2 2 298.412 0.985 20 0 CCADLP COC(C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)OC ZINC000136773892 350427882 /nfs/dbraw/zinc/42/78/82/350427882.db2.gz KUPWASQLGNJMBL-LBPRGKRZSA-N 2 2 258.362 0.259 20 0 CCADLP COC(C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)OC ZINC000136773892 350427885 /nfs/dbraw/zinc/42/78/85/350427885.db2.gz KUPWASQLGNJMBL-LBPRGKRZSA-N 2 2 258.362 0.259 20 0 CCADLP C[C@@]([NH3+])(C(=O)NCCc1[nH]cc[nH+]1)c1ccccc1 ZINC000139603854 350447857 /nfs/dbraw/zinc/44/78/57/350447857.db2.gz LJYSUKOCGGLUTH-AWEZNQCLSA-N 2 2 258.325 0.943 20 0 CCADLP Cc1cc(NC(=O)C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)n(C)n1 ZINC000152483053 350530455 /nfs/dbraw/zinc/53/04/55/350530455.db2.gz FLMBZDVXFOPWCL-CYBMUJFWSA-N 2 2 293.415 0.941 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)n(C)n1 ZINC000152483053 350530458 /nfs/dbraw/zinc/53/04/58/350530458.db2.gz FLMBZDVXFOPWCL-CYBMUJFWSA-N 2 2 293.415 0.941 20 0 CCADLP Cc1cc(NC(=O)C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)n(C)n1 ZINC000152483053 350530460 /nfs/dbraw/zinc/53/04/60/350530460.db2.gz FLMBZDVXFOPWCL-CYBMUJFWSA-N 2 2 293.415 0.941 20 0 CCADLP Cc1cc(NC(=O)C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)n(C)n1 ZINC000152483053 350530462 /nfs/dbraw/zinc/53/04/62/350530462.db2.gz FLMBZDVXFOPWCL-CYBMUJFWSA-N 2 2 293.415 0.941 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+]1CCSCC1 ZINC000152559574 350532707 /nfs/dbraw/zinc/53/27/07/350532707.db2.gz VOXJRQGYMQQPCM-NEPJUHHUSA-N 2 2 271.430 0.634 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCC[N@H+]1C)[NH+]1CCSCC1 ZINC000152559574 350532711 /nfs/dbraw/zinc/53/27/11/350532711.db2.gz VOXJRQGYMQQPCM-NEPJUHHUSA-N 2 2 271.430 0.634 20 0 CCADLP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)C[NH+]1CCOCC1 ZINC000153215628 350554958 /nfs/dbraw/zinc/55/49/58/350554958.db2.gz JIRSPVMYVBILSG-KFWWJZLASA-N 3 2 269.433 0.885 20 0 CCADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)C[NH+]1CCOCC1 ZINC000153215628 350554962 /nfs/dbraw/zinc/55/49/62/350554962.db2.gz JIRSPVMYVBILSG-KFWWJZLASA-N 3 2 269.433 0.885 20 0 CCADLP CC[C@@H](C(=O)NC[C@H](C)Cn1cc[nH+]c1)[NH+](C)C ZINC000155362093 350616741 /nfs/dbraw/zinc/61/67/41/350616741.db2.gz DIKLWMZFRRVQIN-RYUDHWBXSA-N 2 2 252.362 0.976 20 0 CCADLP COC[C@H]([NH3+])C(=O)Nc1cccnc1-n1cc[nH+]c1C ZINC000159265153 350673286 /nfs/dbraw/zinc/67/32/86/350673286.db2.gz XIBIQMHTHXVABV-JTQLQIEISA-N 2 2 275.312 0.488 20 0 CCADLP Cc1ccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1F ZINC000110978740 186339354 /nfs/dbraw/zinc/33/93/54/186339354.db2.gz ZDDKEZQEPCVZFM-UHFFFAOYSA-N 2 2 279.359 0.998 20 0 CCADLP Cc1ccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1F ZINC000110978740 186339356 /nfs/dbraw/zinc/33/93/56/186339356.db2.gz ZDDKEZQEPCVZFM-UHFFFAOYSA-N 2 2 279.359 0.998 20 0 CCADLP COC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000159099124 350668738 /nfs/dbraw/zinc/66/87/38/350668738.db2.gz PEQLEMDLBQGUHD-AWEZNQCLSA-N 2 2 277.368 0.305 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)C(=O)NCC(F)(F)F)C1 ZINC000159891025 350691516 /nfs/dbraw/zinc/69/15/16/350691516.db2.gz ZQTWNRXGXHDZMQ-CIUDSAMLSA-N 2 2 267.295 0.723 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)C(=O)NCC(F)(F)F)C1 ZINC000159891025 350691519 /nfs/dbraw/zinc/69/15/19/350691519.db2.gz ZQTWNRXGXHDZMQ-CIUDSAMLSA-N 2 2 267.295 0.723 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000163230440 350762849 /nfs/dbraw/zinc/76/28/49/350762849.db2.gz SQAOEQMAZVPPHI-VHSXEESVSA-N 2 2 270.377 0.280 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000163230440 350762851 /nfs/dbraw/zinc/76/28/51/350762851.db2.gz SQAOEQMAZVPPHI-VHSXEESVSA-N 2 2 270.377 0.280 20 0 CCADLP CCc1ccccc1C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000162060606 350735646 /nfs/dbraw/zinc/73/56/46/350735646.db2.gz KZQBEDUUGLPGAK-CYBMUJFWSA-N 2 2 261.369 0.964 20 0 CCADLP CCc1ccccc1C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000162060606 350735647 /nfs/dbraw/zinc/73/56/47/350735647.db2.gz KZQBEDUUGLPGAK-CYBMUJFWSA-N 2 2 261.369 0.964 20 0 CCADLP CCNC(=O)C[NH+]1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000163356564 350764175 /nfs/dbraw/zinc/76/41/75/350764175.db2.gz PZBNKNPVYAKGKZ-CQSZACIVSA-N 2 2 282.432 0.224 20 0 CCADLP CCNC(=O)C[NH+]1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000163356564 350764177 /nfs/dbraw/zinc/76/41/77/350764177.db2.gz PZBNKNPVYAKGKZ-CQSZACIVSA-N 2 2 282.432 0.224 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)NCCCNc1cccc[nH+]1 ZINC000165240529 350788846 /nfs/dbraw/zinc/78/88/46/350788846.db2.gz DYNBSQQVTJWLFD-NSHDSACASA-N 2 2 250.346 0.855 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000168650900 350829766 /nfs/dbraw/zinc/82/97/66/350829766.db2.gz MPFSVFYFQPSXHI-NWDGAFQWSA-N 2 2 296.415 0.814 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000168650900 350829770 /nfs/dbraw/zinc/82/97/70/350829770.db2.gz MPFSVFYFQPSXHI-NWDGAFQWSA-N 2 2 296.415 0.814 20 0 CCADLP C[C@H]1CN(c2ccc(CNC(=O)C[NH+](C)C)c[nH+]2)CCO1 ZINC000170756960 350857896 /nfs/dbraw/zinc/85/78/96/350857896.db2.gz AOCZOFWQFCZXGI-LBPRGKRZSA-N 2 2 292.383 0.485 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000171435646 350908447 /nfs/dbraw/zinc/90/84/47/350908447.db2.gz LYATTYIEESFDLO-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000171435646 350908449 /nfs/dbraw/zinc/90/84/49/350908449.db2.gz LYATTYIEESFDLO-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP O=C(NCC[NH+]1CCC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000540908766 290916116 /nfs/dbraw/zinc/91/61/16/290916116.db2.gz WWSCQMGSHKNRJK-UHFFFAOYSA-N 2 2 271.324 0.703 20 0 CCADLP O=C1C[C@@H]([NH2+]Cc2ccco2)CN1CC[NH+]1CCOCC1 ZINC000172698173 351005719 /nfs/dbraw/zinc/00/57/19/351005719.db2.gz LSHCTSYXKUZLQA-CYBMUJFWSA-N 2 2 293.367 0.302 20 0 CCADLP C[C@H](C(=O)NCCC[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000339777931 215337029 /nfs/dbraw/zinc/33/70/29/215337029.db2.gz RFJYVOJRAGYABW-CYBMUJFWSA-N 2 2 269.389 0.309 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000174630732 351096375 /nfs/dbraw/zinc/09/63/75/351096375.db2.gz VBRRUQBKDLTIEZ-ZDUSSCGKSA-N 2 2 292.383 0.485 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000174630732 351096378 /nfs/dbraw/zinc/09/63/78/351096378.db2.gz VBRRUQBKDLTIEZ-ZDUSSCGKSA-N 2 2 292.383 0.485 20 0 CCADLP C[C@@H](NC(=O)N(C)CC[NH+](C)C)[C@H](C)[NH+]1CCOCC1 ZINC000176335284 351169369 /nfs/dbraw/zinc/16/93/69/351169369.db2.gz WJWRIJQAZNYNLP-OLZOCXBDSA-N 2 2 286.420 0.299 20 0 CCADLP CO[C@H](C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177113053 351194838 /nfs/dbraw/zinc/19/48/38/351194838.db2.gz JPTKBMMANWVMKG-LLVKDONJSA-N 2 2 257.378 0.164 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)CC[N@@H+]1C ZINC000178520437 351233860 /nfs/dbraw/zinc/23/38/60/351233860.db2.gz ZBQXNLBQOFVINW-KGLIPLIRSA-N 3 2 269.433 0.906 20 0 CCADLP C[NH2+]CCCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000178722834 351242606 /nfs/dbraw/zinc/24/26/06/351242606.db2.gz FWCZRQINCWQEFK-ZDUSSCGKSA-N 2 2 269.389 0.309 20 0 CCADLP COC1(C(=O)NCc2[nH+]ccn2CC(C)C)CC[NH2+]CC1 ZINC000178809884 351246458 /nfs/dbraw/zinc/24/64/58/351246458.db2.gz VQNRDOCBNRHSEC-UHFFFAOYSA-N 2 2 294.399 0.924 20 0 CCADLP C[C@H](C[N@H+](C)CC(=O)N1CC[NH+](C)CC1)c1nccs1 ZINC000183919284 351396194 /nfs/dbraw/zinc/39/61/94/351396194.db2.gz DLFWJNIVRICBFC-GFCCVEGCSA-N 2 2 296.440 0.952 20 0 CCADLP C[C@H](C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1)c1nccs1 ZINC000183919284 351396197 /nfs/dbraw/zinc/39/61/97/351396197.db2.gz DLFWJNIVRICBFC-GFCCVEGCSA-N 2 2 296.440 0.952 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000603308236 363058531 /nfs/dbraw/zinc/05/85/31/363058531.db2.gz BJMFRLXQNXJBQS-LLVKDONJSA-N 2 2 288.355 0.732 20 0 CCADLP C[C@@H](c1nnnn1C)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000188773104 351627208 /nfs/dbraw/zinc/62/72/08/351627208.db2.gz PMYVNDRPTQMSTO-LBPRGKRZSA-N 2 2 294.403 0.315 20 0 CCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)CC[C@@H](C)[NH3+])CC1 ZINC000193293259 351821478 /nfs/dbraw/zinc/82/14/78/351821478.db2.gz YZPUOJHNLAIGBI-CYBMUJFWSA-N 2 2 298.431 0.126 20 0 CCADLP CC(C)CNC(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000124242230 187127949 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/nfs/dbraw/zinc/22/66/56/535226656.db2.gz OUKINUJULNMGRN-UHFFFAOYSA-N 2 2 271.405 0.555 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[NH+]1CCSCC1 ZINC000280510390 353366360 /nfs/dbraw/zinc/36/63/60/353366360.db2.gz LUODXLDKIHWMBZ-UHFFFAOYSA-N 2 2 282.413 0.518 20 0 CCADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655450238 412576848 /nfs/dbraw/zinc/57/68/48/412576848.db2.gz HEGTYYCQALWOJJ-WOPDTQHZSA-N 2 2 262.357 0.641 20 0 CCADLP CC[C@H](O)C[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000281447939 353391045 /nfs/dbraw/zinc/39/10/45/353391045.db2.gz LHRNYAVIRXSCBE-LBPRGKRZSA-N 2 2 265.357 0.983 20 0 CCADLP C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)[C@@H](C)[NH+]1CCOCC1 ZINC000280551455 353368353 /nfs/dbraw/zinc/36/83/53/353368353.db2.gz PJANDTXXEGYWGC-VXGBXAGGSA-N 2 2 280.372 0.568 20 0 CCADLP CN(C)[C@@H](C(=O)NCC(C)(C)C[NH+](C)C)c1c[nH+]cn1C ZINC000280773174 353382098 /nfs/dbraw/zinc/38/20/98/353382098.db2.gz NEXYVJJTJUQIRQ-CYBMUJFWSA-N 2 2 295.431 0.727 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CCc1c[nH+]cn1C ZINC000280804878 353384633 /nfs/dbraw/zinc/38/46/33/353384633.db2.gz PSFSEMQZHZDPSF-CYBMUJFWSA-N 2 2 294.399 0.532 20 0 CCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000655452173 412577820 /nfs/dbraw/zinc/57/78/20/412577820.db2.gz DZLBJJWTWRICQZ-DOMZBBRYSA-N 2 2 274.368 0.658 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000282773253 353451301 /nfs/dbraw/zinc/45/13/01/353451301.db2.gz KSQSDYCQKGGVJL-LBPRGKRZSA-N 2 2 280.372 0.499 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@H](c2c[nH+]cn2C)N(C)C)[C@@H](C)C1 ZINC000286558003 353595723 /nfs/dbraw/zinc/59/57/23/353595723.db2.gz AFPGQZROZLBUHO-JSGCOSHPSA-N 2 2 293.415 0.575 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@H](c2c[nH+]cn2C)N(C)C)[C@@H](C)C1 ZINC000286558003 353595725 /nfs/dbraw/zinc/59/57/25/353595725.db2.gz AFPGQZROZLBUHO-JSGCOSHPSA-N 2 2 293.415 0.575 20 0 CCADLP CO[C@H](C[NH3+])C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000289839412 353688942 /nfs/dbraw/zinc/68/89/42/353688942.db2.gz FAZQWYXVFDZQPT-LLVKDONJSA-N 2 2 262.313 0.233 20 0 CCADLP O=C(N1CCn2c[nH+]cc2C1)C12CCC[NH+]1CCC2 ZINC000291123860 353769190 /nfs/dbraw/zinc/76/91/90/353769190.db2.gz NOXKSYXGGONYEF-UHFFFAOYSA-N 2 2 260.341 0.854 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NCCC[NH+]1CCC(O)CC1 ZINC000605541886 363260813 /nfs/dbraw/zinc/26/08/13/363260813.db2.gz YMILQRWNEGZUTI-UHFFFAOYSA-N 2 2 294.399 0.626 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)[C@H]2CCCC[N@@H+]2C)n1C ZINC000605892766 363272359 /nfs/dbraw/zinc/27/23/59/363272359.db2.gz DWULWZQZUXMWCQ-GFCCVEGCSA-N 2 2 279.388 0.587 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)[C@H]2CCCC[N@H+]2C)n1C ZINC000605892766 363272362 /nfs/dbraw/zinc/27/23/62/363272362.db2.gz DWULWZQZUXMWCQ-GFCCVEGCSA-N 2 2 279.388 0.587 20 0 CCADLP C[C@@H](O)CNc1cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)nc[nH+]1 ZINC000298787046 353970219 /nfs/dbraw/zinc/97/02/19/353970219.db2.gz DTUGBHHSOWKFPL-UTUOFQBUSA-N 2 2 277.372 0.267 20 0 CCADLP C[C@@H](O)CNc1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)nc[nH+]1 ZINC000298787046 353970221 /nfs/dbraw/zinc/97/02/21/353970221.db2.gz DTUGBHHSOWKFPL-UTUOFQBUSA-N 2 2 277.372 0.267 20 0 CCADLP C[C@@H](O)CNc1cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)[nH+]cn1 ZINC000298787046 353970224 /nfs/dbraw/zinc/97/02/24/353970224.db2.gz DTUGBHHSOWKFPL-UTUOFQBUSA-N 2 2 277.372 0.267 20 0 CCADLP C[C@@H](O)CNc1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)[nH+]cn1 ZINC000298787046 353970227 /nfs/dbraw/zinc/97/02/27/353970227.db2.gz DTUGBHHSOWKFPL-UTUOFQBUSA-N 2 2 277.372 0.267 20 0 CCADLP CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000300703785 354067815 /nfs/dbraw/zinc/06/78/15/354067815.db2.gz NRQNGPNQSNBLTM-FIQHERPVSA-N 2 2 262.419 0.455 20 0 CCADLP Cc1cc(NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)nc[nH+]1 ZINC000301267831 354074793 /nfs/dbraw/zinc/07/47/93/354074793.db2.gz XAENZPVYLZPMHL-LBPRGKRZSA-N 2 2 277.372 0.784 20 0 CCADLP Cc1cc(NCCC[N@H+]2CCC[C@H](C(N)=O)C2)nc[nH+]1 ZINC000301267831 354074794 /nfs/dbraw/zinc/07/47/94/354074794.db2.gz XAENZPVYLZPMHL-LBPRGKRZSA-N 2 2 277.372 0.784 20 0 CCADLP C[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@@H]1C[NH3+] ZINC000655478331 412586517 /nfs/dbraw/zinc/58/65/17/412586517.db2.gz QVHVDJCBIIQGDY-UPJWGTAASA-N 2 2 276.384 0.889 20 0 CCADLP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655476133 412586784 /nfs/dbraw/zinc/58/67/84/412586784.db2.gz NDKVZYUHQFLDFD-MNOVXSKESA-N 2 2 264.373 0.935 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCSC1 ZINC000310459144 354190396 /nfs/dbraw/zinc/19/03/96/354190396.db2.gz ALADIVRUAQJBFO-VXGBXAGGSA-N 2 2 262.419 0.363 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCSC1 ZINC000310459144 354190398 /nfs/dbraw/zinc/19/03/98/354190398.db2.gz ALADIVRUAQJBFO-VXGBXAGGSA-N 2 2 262.419 0.363 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H]1CCSC1 ZINC000310459144 354190399 /nfs/dbraw/zinc/19/03/99/354190399.db2.gz ALADIVRUAQJBFO-VXGBXAGGSA-N 2 2 262.419 0.363 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000310459144 354190402 /nfs/dbraw/zinc/19/04/02/354190402.db2.gz ALADIVRUAQJBFO-VXGBXAGGSA-N 2 2 262.419 0.363 20 0 CCADLP COC(=O)CC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000311023092 354195395 /nfs/dbraw/zinc/19/53/95/354195395.db2.gz ZOEDJDOLOVAYQI-UHFFFAOYSA-N 2 2 252.318 0.090 20 0 CCADLP CC[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)CCOC)CCCO1 ZINC000311647180 354202514 /nfs/dbraw/zinc/20/25/14/354202514.db2.gz CJGCENIADURYEZ-UONOGXRCSA-N 2 2 274.405 0.426 20 0 CCADLP CC[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)CCOC)CCCO1 ZINC000311647180 354202516 /nfs/dbraw/zinc/20/25/16/354202516.db2.gz CJGCENIADURYEZ-UONOGXRCSA-N 2 2 274.405 0.426 20 0 CCADLP CC[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)CCOC)CCCO1 ZINC000311647180 354202517 /nfs/dbraw/zinc/20/25/17/354202517.db2.gz CJGCENIADURYEZ-UONOGXRCSA-N 2 2 274.405 0.426 20 0 CCADLP CC[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)CCOC)CCCO1 ZINC000311647180 354202519 /nfs/dbraw/zinc/20/25/19/354202519.db2.gz CJGCENIADURYEZ-UONOGXRCSA-N 2 2 274.405 0.426 20 0 CCADLP C[C@@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C[NH+]1CCCC1 ZINC000312117906 354206800 /nfs/dbraw/zinc/20/68/00/354206800.db2.gz RUWKTGXNWHDHPB-DZGCQCFKSA-N 3 2 269.433 0.763 20 0 CCADLP C[C@@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C[NH+]1CCCC1 ZINC000312117906 354206804 /nfs/dbraw/zinc/20/68/04/354206804.db2.gz RUWKTGXNWHDHPB-DZGCQCFKSA-N 3 2 269.433 0.763 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)C1CC1 ZINC000312910471 354211013 /nfs/dbraw/zinc/21/10/13/354211013.db2.gz KRQZCMJSWKDXHX-KBMXLJTQSA-N 3 2 281.444 0.858 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)C1CC1 ZINC000312910471 354211017 /nfs/dbraw/zinc/21/10/17/354211017.db2.gz KRQZCMJSWKDXHX-KBMXLJTQSA-N 3 2 281.444 0.858 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)C1CC1 ZINC000312910471 354211018 /nfs/dbraw/zinc/21/10/18/354211018.db2.gz KRQZCMJSWKDXHX-KBMXLJTQSA-N 3 2 281.444 0.858 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)C1CC1 ZINC000312910471 354211022 /nfs/dbraw/zinc/21/10/22/354211022.db2.gz KRQZCMJSWKDXHX-KBMXLJTQSA-N 3 2 281.444 0.858 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCC[NH+]2CCCCC2)[C@@H](C[NH3+])C1 ZINC000557135727 291023484 /nfs/dbraw/zinc/02/34/84/291023484.db2.gz NOAPRJPLNOPDNT-AWEZNQCLSA-N 3 2 297.447 0.147 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCC[NH+]2CCCCC2)[C@@H](C[NH3+])C1 ZINC000557135727 291023487 /nfs/dbraw/zinc/02/34/87/291023487.db2.gz NOAPRJPLNOPDNT-AWEZNQCLSA-N 3 2 297.447 0.147 20 0 CCADLP CCN1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000328622220 354239777 /nfs/dbraw/zinc/23/97/77/354239777.db2.gz IGWPYORWCQACIX-ZDUSSCGKSA-N 2 2 293.415 0.955 20 0 CCADLP CCN1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000328622220 354239778 /nfs/dbraw/zinc/23/97/78/354239778.db2.gz IGWPYORWCQACIX-ZDUSSCGKSA-N 2 2 293.415 0.955 20 0 CCADLP Cn1cc[nH+]c1CN1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000330412330 354348614 /nfs/dbraw/zinc/34/86/14/354348614.db2.gz SHJXJKUASGTIPI-NSHDSACASA-N 2 2 281.360 0.088 20 0 CCADLP Cn1cc[nH+]c1CN1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000330412330 354348616 /nfs/dbraw/zinc/34/86/16/354348616.db2.gz SHJXJKUASGTIPI-NSHDSACASA-N 2 2 281.360 0.088 20 0 CCADLP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@@H](O)C[NH+](C)C ZINC000331067921 354436548 /nfs/dbraw/zinc/43/65/48/354436548.db2.gz AJEFZSBPSQLLHL-ZYHUDNBSSA-N 2 2 252.362 0.310 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)NC[C@@H](c2ccco2)[NH+](C)C)[N@H+](C)C1 ZINC000330533484 354397393 /nfs/dbraw/zinc/39/73/93/354397393.db2.gz OCPVLQBRGNYRDX-AVGNSLFASA-N 2 2 295.383 0.718 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)NC[C@@H](c2ccco2)[NH+](C)C)[N@@H+](C)C1 ZINC000330533484 354397396 /nfs/dbraw/zinc/39/73/96/354397396.db2.gz OCPVLQBRGNYRDX-AVGNSLFASA-N 2 2 295.383 0.718 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CSC[NH2+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488105 412591509 /nfs/dbraw/zinc/59/15/09/412591509.db2.gz UEPWRMGUNNHRQK-YFKTTZPYSA-N 2 2 287.429 0.263 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CSC[NH2+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488105 412591513 /nfs/dbraw/zinc/59/15/13/412591513.db2.gz UEPWRMGUNNHRQK-YFKTTZPYSA-N 2 2 287.429 0.263 20 0 CCADLP CC(=O)[C@](C)(O)C[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000331304266 354526131 /nfs/dbraw/zinc/52/61/31/354526131.db2.gz FTJBLISFXBTPGU-OAHLLOKOSA-N 2 2 277.368 0.852 20 0 CCADLP CC(=O)[C@](C)(O)C[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000331306456 354527607 /nfs/dbraw/zinc/52/76/07/354527607.db2.gz GEBVGBQGIWJJKS-OAHLLOKOSA-N 2 2 277.368 0.852 20 0 CCADLP O[C@H](Cn1cccn1)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000331404331 354564711 /nfs/dbraw/zinc/56/47/11/354564711.db2.gz MYHKYQPZDWDOHL-ZDUSSCGKSA-N 2 2 275.356 0.847 20 0 CCADLP C[C@H](NC(=O)[C@@]1(C)CCCC[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000357814859 299219945 /nfs/dbraw/zinc/21/99/45/299219945.db2.gz LGYGIZRLEKVBGH-KCQAQPDRSA-N 2 2 283.416 0.744 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000333642565 354768963 /nfs/dbraw/zinc/76/89/63/354768963.db2.gz IMYHKGRKSTTYRW-AWEZNQCLSA-N 2 2 289.383 0.271 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000333819557 354800190 /nfs/dbraw/zinc/80/01/90/354800190.db2.gz JMDCEYDXFRMMGU-FRRDWIJNSA-N 2 2 277.372 0.617 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000333819557 354800193 /nfs/dbraw/zinc/80/01/93/354800193.db2.gz JMDCEYDXFRMMGU-FRRDWIJNSA-N 2 2 277.372 0.617 20 0 CCADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000557667509 291041529 /nfs/dbraw/zinc/04/15/29/291041529.db2.gz MUCMDOALKOMWSP-HUUCEWRRSA-N 2 2 296.459 0.469 20 0 CCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000557667509 291041531 /nfs/dbraw/zinc/04/15/31/291041531.db2.gz MUCMDOALKOMWSP-HUUCEWRRSA-N 2 2 296.459 0.469 20 0 CCADLP C[C@H]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@@H]1n1cc[nH+]c1 ZINC000333838572 354803024 /nfs/dbraw/zinc/80/30/24/354803024.db2.gz NVBWSWVHORPKRO-PDWCTOEPSA-N 2 2 289.383 0.693 20 0 CCADLP C[C@H]1CC[N@H+](CC[NH2+]C[C@@H]2CNc3ccnn3C2)C1 ZINC000608582521 363442117 /nfs/dbraw/zinc/44/21/17/363442117.db2.gz LQBBDVFPJMKYTF-QWHCGFSZSA-N 2 2 263.389 0.856 20 0 CCADLP C[C@H]1CC[N@@H+](CC[NH2+]C[C@@H]2CNc3ccnn3C2)C1 ZINC000608582521 363442124 /nfs/dbraw/zinc/44/21/24/363442124.db2.gz LQBBDVFPJMKYTF-QWHCGFSZSA-N 2 2 263.389 0.856 20 0 CCADLP COc1cc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCO2)c(F)cn1 ZINC000423546418 235002633 /nfs/dbraw/zinc/00/26/33/235002633.db2.gz DFGQEYYWPAVOPJ-NXEZZACHSA-N 2 2 269.320 0.868 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000423529793 283059568 /nfs/dbraw/zinc/05/95/68/283059568.db2.gz YFFVMFJWNXSZPE-TUVASFSCSA-N 3 2 266.433 0.352 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000423529793 283059571 /nfs/dbraw/zinc/05/95/71/283059571.db2.gz YFFVMFJWNXSZPE-TUVASFSCSA-N 3 2 266.433 0.352 20 0 CCADLP C[C@@H](CC(=O)N(C)CC[NH+]1CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000423748965 235054010 /nfs/dbraw/zinc/05/40/10/235054010.db2.gz VDYGKHSOSUDOQI-LSDHHAIUSA-N 2 2 297.443 0.803 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](C)CC[C@H]1C)[NH+]1CCSCC1 ZINC000335316244 354993896 /nfs/dbraw/zinc/99/38/96/354993896.db2.gz HNJILCRWGSIIMC-OLZOCXBDSA-N 2 2 285.457 0.976 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@H](O)C(C)(C)C1)C1CC1 ZINC000336786477 355159611 /nfs/dbraw/zinc/15/96/11/355159611.db2.gz CBKNHJGJILCNPL-STQMWFEESA-N 2 2 256.390 0.534 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H](O)C(C)(C)C1)C1CC1 ZINC000336786477 355159612 /nfs/dbraw/zinc/15/96/12/355159612.db2.gz CBKNHJGJILCNPL-STQMWFEESA-N 2 2 256.390 0.534 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H](O)C(C)(C)C1)C1CC1 ZINC000336786477 355159613 /nfs/dbraw/zinc/15/96/13/355159613.db2.gz CBKNHJGJILCNPL-STQMWFEESA-N 2 2 256.390 0.534 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@H](O)C(C)(C)C1)C1CC1 ZINC000336786477 355159614 /nfs/dbraw/zinc/15/96/14/355159614.db2.gz CBKNHJGJILCNPL-STQMWFEESA-N 2 2 256.390 0.534 20 0 CCADLP CCC1(O)CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000336792491 355164949 /nfs/dbraw/zinc/16/49/49/355164949.db2.gz SHSOZTIJRJGLAR-ZDUSSCGKSA-N 2 2 256.390 0.678 20 0 CCADLP CCC1(O)CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000336792491 355164951 /nfs/dbraw/zinc/16/49/51/355164951.db2.gz SHSOZTIJRJGLAR-ZDUSSCGKSA-N 2 2 256.390 0.678 20 0 CCADLP CS[C@H]1CN(CC[NH+]2CCOCC2)C[C@H]1[NH+](C)C ZINC000336736930 355155813 /nfs/dbraw/zinc/15/58/13/355155813.db2.gz ZAELDATYFUAZFL-OLZOCXBDSA-N 2 2 273.446 0.296 20 0 CCADLP CN(CC[NH+]1CCOCC1)CC1([NH+](C)C)CCC1 ZINC000336783315 355156065 /nfs/dbraw/zinc/15/60/65/355156065.db2.gz BFIWEAZMUXMNMB-UHFFFAOYSA-N 2 2 255.406 0.735 20 0 CCADLP CC(C)N1CC[C@H]([NH+]2CCN(c3[nH+]ccn3C)CC2)C1=O ZINC000336838990 355210133 /nfs/dbraw/zinc/21/01/33/355210133.db2.gz ITCWNDNUXPMTRP-ZDUSSCGKSA-N 2 2 291.399 0.551 20 0 CCADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000336841103 355211507 /nfs/dbraw/zinc/21/15/07/355211507.db2.gz NRPVGJFCWFAJHX-LBPRGKRZSA-N 2 2 291.355 0.208 20 0 CCADLP Cc1[nH+]ccn1CCCC[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000336841103 355211510 /nfs/dbraw/zinc/21/15/10/355211510.db2.gz NRPVGJFCWFAJHX-LBPRGKRZSA-N 2 2 291.355 0.208 20 0 CCADLP c1c[nH+]c(CN2CC[NH+](C[C@@H]3CCCOC3)CC2)[nH]1 ZINC000336800174 355174108 /nfs/dbraw/zinc/17/41/08/355174108.db2.gz LFSJKKNWJNVMOV-ZDUSSCGKSA-N 2 2 264.373 0.954 20 0 CCADLP O=C(C[C@@H]1CCC[NH2+]1)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424178648 235171402 /nfs/dbraw/zinc/17/14/02/235171402.db2.gz RQWFFXWXDKYAKI-ZJUUUORDSA-N 2 2 261.316 0.490 20 0 CCADLP CC(C)CCC[C@H](C)NC(=O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000336817265 355191061 /nfs/dbraw/zinc/19/10/61/355191061.db2.gz PMQCKINQUCJLNR-QWHCGFSZSA-N 2 2 273.421 0.569 20 0 CCADLP CC(C)CCC[C@H](C)NC(=O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000336817265 355191062 /nfs/dbraw/zinc/19/10/62/355191062.db2.gz PMQCKINQUCJLNR-QWHCGFSZSA-N 2 2 273.421 0.569 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000336823288 355197360 /nfs/dbraw/zinc/19/73/60/355197360.db2.gz OVOOMYMUANVTLH-OAHLLOKOSA-N 2 2 278.400 0.988 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000336823288 355197363 /nfs/dbraw/zinc/19/73/63/355197363.db2.gz OVOOMYMUANVTLH-OAHLLOKOSA-N 2 2 278.400 0.988 20 0 CCADLP CN(C(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+])c1nccs1 ZINC000424329906 235197602 /nfs/dbraw/zinc/19/76/02/235197602.db2.gz HFXBLPOISIQSRQ-NXEZZACHSA-N 2 2 268.386 0.965 20 0 CCADLP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338181272 355310519 /nfs/dbraw/zinc/31/05/19/355310519.db2.gz WPIGFOJDLDPDKN-STQMWFEESA-N 2 2 283.416 0.648 20 0 CCADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338181272 355310521 /nfs/dbraw/zinc/31/05/21/355310521.db2.gz WPIGFOJDLDPDKN-STQMWFEESA-N 2 2 283.416 0.648 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000338296639 355313653 /nfs/dbraw/zinc/31/36/53/355313653.db2.gz UKDGPQSBBFTTTG-CYBMUJFWSA-N 2 2 263.341 0.871 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000338296639 355313657 /nfs/dbraw/zinc/31/36/57/355313657.db2.gz UKDGPQSBBFTTTG-CYBMUJFWSA-N 2 2 263.341 0.871 20 0 CCADLP COCC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C(C)(C)C ZINC000338354007 355330281 /nfs/dbraw/zinc/33/02/81/355330281.db2.gz RFJQGBRAADZTHS-CYBMUJFWSA-N 2 2 285.432 0.801 20 0 CCADLP NC(=O)NC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000558657236 291065677 /nfs/dbraw/zinc/06/56/77/291065677.db2.gz OQFIFDONOAWVAC-CYBMUJFWSA-N 2 2 290.367 0.436 20 0 CCADLP NC(=O)NC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000558657236 291065680 /nfs/dbraw/zinc/06/56/80/291065680.db2.gz OQFIFDONOAWVAC-CYBMUJFWSA-N 2 2 290.367 0.436 20 0 CCADLP C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425338782 235286936 /nfs/dbraw/zinc/28/69/36/235286936.db2.gz QFXGSIZBDVVQNE-GHMZBOCLSA-N 2 2 252.362 0.689 20 0 CCADLP C[C@@H]1[C@@H](CO)CC[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425338782 235286939 /nfs/dbraw/zinc/28/69/39/235286939.db2.gz QFXGSIZBDVVQNE-GHMZBOCLSA-N 2 2 252.362 0.689 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NCC[N@H+]2CCOC[C@H]2C)CC[NH+]1C ZINC000341116996 355609391 /nfs/dbraw/zinc/60/93/91/355609391.db2.gz FYWRUDXNCVFTHP-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NCC[N@@H+]2CCOC[C@H]2C)CC[NH+]1C ZINC000341116996 355609394 /nfs/dbraw/zinc/60/93/94/355609394.db2.gz FYWRUDXNCVFTHP-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000341116996 355609396 /nfs/dbraw/zinc/60/93/96/355609396.db2.gz FYWRUDXNCVFTHP-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000341116996 355609398 /nfs/dbraw/zinc/60/93/98/355609398.db2.gz FYWRUDXNCVFTHP-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP Cc1c[nH+]c(CNc2ccn(CC[NH+](C)C)n2)n1C ZINC000341401632 355666169 /nfs/dbraw/zinc/66/61/69/355666169.db2.gz ZXZRITXBKYKGBW-UHFFFAOYSA-N 2 2 262.361 0.521 20 0 CCADLP CC[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@H]1CCCCO1 ZINC000655525952 412613255 /nfs/dbraw/zinc/61/32/55/412613255.db2.gz UUBXIXOJUYGFPS-RWMBFGLXSA-N 2 2 271.405 0.729 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCN(CCO)[C@@H](C)C1 ZINC000426460491 235336865 /nfs/dbraw/zinc/33/68/65/235336865.db2.gz PCXYJCYRSNQVCW-ZDUSSCGKSA-N 2 2 266.389 0.580 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CCN(CCO)[C@@H](C)C1 ZINC000426460491 235336867 /nfs/dbraw/zinc/33/68/67/235336867.db2.gz PCXYJCYRSNQVCW-ZDUSSCGKSA-N 2 2 266.389 0.580 20 0 CCADLP Cc1[nH+]ccn1CCCN1CC[N@H+](CCO)[C@@H](C)C1 ZINC000426460491 235336870 /nfs/dbraw/zinc/33/68/70/235336870.db2.gz PCXYJCYRSNQVCW-ZDUSSCGKSA-N 2 2 266.389 0.580 20 0 CCADLP Cc1[nH+]ccn1CCCN1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000426460491 235336873 /nfs/dbraw/zinc/33/68/73/235336873.db2.gz PCXYJCYRSNQVCW-ZDUSSCGKSA-N 2 2 266.389 0.580 20 0 CCADLP COC[C@H](O)C[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000342776200 355743746 /nfs/dbraw/zinc/74/37/46/355743746.db2.gz GRDUNOSMDBIHRV-CYBMUJFWSA-N 2 2 288.388 0.001 20 0 CCADLP CS[C@@H]1CN([C@@H](C)C[NH+]2CCOCC2)C[C@@H]1[NH+](C)C ZINC000343618267 355776670 /nfs/dbraw/zinc/77/66/70/355776670.db2.gz FCLOHHBPLBFYAD-MELADBBJSA-N 2 2 287.473 0.685 20 0 CCADLP Cn1cc(CC[N@H+](C)C2CC[NH+](CCO)CC2)cn1 ZINC000348277524 355901692 /nfs/dbraw/zinc/90/16/92/355901692.db2.gz RENZRBMSBNCBTH-UHFFFAOYSA-N 2 2 266.389 0.351 20 0 CCADLP Cn1cc(CC[N@@H+](C)C2CC[NH+](CCO)CC2)cn1 ZINC000348277524 355901695 /nfs/dbraw/zinc/90/16/95/355901695.db2.gz RENZRBMSBNCBTH-UHFFFAOYSA-N 2 2 266.389 0.351 20 0 CCADLP CN(C)C(=O)NCC[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000348953516 355986429 /nfs/dbraw/zinc/98/64/29/355986429.db2.gz YGQVWKAQHXLBHD-LBPRGKRZSA-N 2 2 256.394 0.674 20 0 CCADLP CN(C)C(=O)NCC[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000348953516 355986435 /nfs/dbraw/zinc/98/64/35/355986435.db2.gz YGQVWKAQHXLBHD-LBPRGKRZSA-N 2 2 256.394 0.674 20 0 CCADLP CN(C)C(=O)NCC[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000348953516 355986438 /nfs/dbraw/zinc/98/64/38/355986438.db2.gz YGQVWKAQHXLBHD-LBPRGKRZSA-N 2 2 256.394 0.674 20 0 CCADLP CN(C)C(=O)NCC[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000348953516 355986441 /nfs/dbraw/zinc/98/64/41/355986441.db2.gz YGQVWKAQHXLBHD-LBPRGKRZSA-N 2 2 256.394 0.674 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCC[C@@H]2OC(F)F)CC1 ZINC000348523214 355942435 /nfs/dbraw/zinc/94/24/35/355942435.db2.gz CGBBAPSDNUJNHD-QWRGUYRKSA-N 2 2 291.342 0.510 20 0 CCADLP CC[C@@H](C(=O)OC)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000352692848 356055809 /nfs/dbraw/zinc/05/58/09/356055809.db2.gz GZOAFEMBXROTEU-AWEZNQCLSA-N 2 2 294.399 0.842 20 0 CCADLP c1nc2cnccn2c1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352695255 356056558 /nfs/dbraw/zinc/05/65/58/356056558.db2.gz VMQCYJJEIFFFHZ-CYBMUJFWSA-N 2 2 286.383 0.209 20 0 CCADLP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(=O)[nH]n1 ZINC000353462378 356228181 /nfs/dbraw/zinc/22/81/81/356228181.db2.gz JCZHUZWUJFNFGW-NSHDSACASA-N 2 2 268.361 0.801 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(=O)[nH]n1 ZINC000353462378 356228183 /nfs/dbraw/zinc/22/81/83/356228183.db2.gz JCZHUZWUJFNFGW-NSHDSACASA-N 2 2 268.361 0.801 20 0 CCADLP C[C@@H](C[NH2+][C@@H](C)C(C)(C)n1cncn1)C[NH+]1CCOCC1 ZINC000353255752 356188860 /nfs/dbraw/zinc/18/88/60/356188860.db2.gz ODCOBWBNEYTUDJ-KBPBESRZSA-N 2 2 295.431 0.960 20 0 CCADLP CC[C@H](C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)OC ZINC000353561616 356250430 /nfs/dbraw/zinc/25/04/30/356250430.db2.gz QPQJDMPPTIAWJL-MRXNPFEDSA-N 2 2 299.459 0.798 20 0 CCADLP CC[C@H](C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1)OC ZINC000353561616 356250432 /nfs/dbraw/zinc/25/04/32/356250432.db2.gz QPQJDMPPTIAWJL-MRXNPFEDSA-N 2 2 299.459 0.798 20 0 CCADLP Cn1ccnc1C[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000353669741 356270467 /nfs/dbraw/zinc/27/04/67/356270467.db2.gz DUXTVHMGFRPRJL-UHFFFAOYSA-N 2 2 293.415 0.502 20 0 CCADLP CC(C)OCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000360884608 138014975 /nfs/dbraw/zinc/01/49/75/138014975.db2.gz PMPOJJQGBXFBSE-UHFFFAOYSA-N 2 2 271.405 0.554 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@@H]2CCOC2)CC1 ZINC000360895452 138015266 /nfs/dbraw/zinc/01/52/66/138015266.db2.gz WWQBMGOHTPUHAZ-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP OC[C@H]1CC[C@H](C[NH2+]Cc2cccc3[nH+]ccn32)O1 ZINC000353706538 356277445 /nfs/dbraw/zinc/27/74/45/356277445.db2.gz PBIXFMMERXEFHH-CHWSQXEVSA-N 2 2 261.325 0.964 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1 ZINC000353843156 356303697 /nfs/dbraw/zinc/30/36/97/356303697.db2.gz MCKBUDYKYQKNLT-UHFFFAOYSA-N 3 2 298.475 0.811 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH+](C)C1CC[NH+](C)CC1 ZINC000353843156 356303698 /nfs/dbraw/zinc/30/36/98/356303698.db2.gz MCKBUDYKYQKNLT-UHFFFAOYSA-N 3 2 298.475 0.811 20 0 CCADLP CC(C)[NH+](C)CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000353843156 356303702 /nfs/dbraw/zinc/30/37/02/356303702.db2.gz MCKBUDYKYQKNLT-UHFFFAOYSA-N 3 2 298.475 0.811 20 0 CCADLP CC(C)[NH+](C)CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000353843156 356303705 /nfs/dbraw/zinc/30/37/05/356303705.db2.gz MCKBUDYKYQKNLT-UHFFFAOYSA-N 3 2 298.475 0.811 20 0 CCADLP CCS(=O)(=O)NCC[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354158901 356356812 /nfs/dbraw/zinc/35/68/12/356356812.db2.gz RGXLDJKJXFAOKZ-UHFFFAOYSA-N 2 2 285.413 0.852 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246525227 291091676 /nfs/dbraw/zinc/09/16/76/291091676.db2.gz ABNOEDGPPFFUFH-RWMBFGLXSA-N 2 2 297.399 0.080 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246525227 291091677 /nfs/dbraw/zinc/09/16/77/291091677.db2.gz ABNOEDGPPFFUFH-RWMBFGLXSA-N 2 2 297.399 0.080 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246525227 291091681 /nfs/dbraw/zinc/09/16/81/291091681.db2.gz ABNOEDGPPFFUFH-RWMBFGLXSA-N 2 2 297.399 0.080 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246525227 291091684 /nfs/dbraw/zinc/09/16/84/291091684.db2.gz ABNOEDGPPFFUFH-RWMBFGLXSA-N 2 2 297.399 0.080 20 0 CCADLP CC(C)[C@H]1CN(C(=O)NCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000362683638 138069668 /nfs/dbraw/zinc/06/96/68/138069668.db2.gz LPPHSFFIMNNRQS-CQSZACIVSA-N 2 2 298.431 0.300 20 0 CCADLP CC(C)[C@H]1CN(C(=O)NCC[NH+]2CCOCC2)CC[N@H+]1C ZINC000362683638 138069669 /nfs/dbraw/zinc/06/96/69/138069669.db2.gz LPPHSFFIMNNRQS-CQSZACIVSA-N 2 2 298.431 0.300 20 0 CCADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccno3)CC2)C1 ZINC000363219246 138088124 /nfs/dbraw/zinc/08/81/24/138088124.db2.gz QASUQVJEUXJPDH-CYBMUJFWSA-N 2 2 264.373 0.886 20 0 CCADLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccno3)CC2)C1 ZINC000363219246 138088125 /nfs/dbraw/zinc/08/81/25/138088125.db2.gz QASUQVJEUXJPDH-CYBMUJFWSA-N 2 2 264.373 0.886 20 0 CCADLP Cc1ccc(CCC[NH2+]CC2CN(S(C)(=O)=O)C2)c[nH+]1 ZINC000354643301 356461442 /nfs/dbraw/zinc/46/14/42/356461442.db2.gz FTHGVMHCEULIOA-UHFFFAOYSA-N 2 2 297.424 0.804 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354693221 356476124 /nfs/dbraw/zinc/47/61/24/356476124.db2.gz OMFISSZAHJHQDZ-GFCCVEGCSA-N 2 2 276.340 0.009 20 0 CCADLP C[C@@H](C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)[NH+]1CC(C)C1 ZINC000573979848 334982456 /nfs/dbraw/zinc/98/24/56/334982456.db2.gz PTMJOGSYVKOFRE-ZDUSSCGKSA-N 2 2 291.399 0.394 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ncccn2)C1 ZINC000430556262 235511575 /nfs/dbraw/zinc/51/15/75/235511575.db2.gz KQIGYLKEIIUKMJ-SRVKXCTJSA-N 2 2 277.372 0.863 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ncccn2)C1 ZINC000430556262 235511576 /nfs/dbraw/zinc/51/15/76/235511576.db2.gz KQIGYLKEIIUKMJ-SRVKXCTJSA-N 2 2 277.372 0.863 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000354957170 356536524 /nfs/dbraw/zinc/53/65/24/356536524.db2.gz HEFCMATZBMDIDU-GFCCVEGCSA-N 2 2 295.387 0.028 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC000447659448 295925038 /nfs/dbraw/zinc/92/50/38/295925038.db2.gz OSCIBHJKVCVCJN-HNNXBMFYSA-N 2 2 297.443 0.897 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1CCC[NH+]1C ZINC000356198513 356721537 /nfs/dbraw/zinc/72/15/37/356721537.db2.gz DDPICYIWKNKNIF-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1CCC[NH+]1C ZINC000356198513 356721543 /nfs/dbraw/zinc/72/15/43/356721543.db2.gz DDPICYIWKNKNIF-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000356198513 356721547 /nfs/dbraw/zinc/72/15/47/356721547.db2.gz DDPICYIWKNKNIF-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000356198513 356721553 /nfs/dbraw/zinc/72/15/53/356721553.db2.gz DDPICYIWKNKNIF-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP C[NH+]1CCC(CNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000336333922 213179928 /nfs/dbraw/zinc/17/99/28/213179928.db2.gz GNHCEXKTDTVTSC-GFCCVEGCSA-N 2 2 291.399 0.908 20 0 CCADLP C[NH+]1CCC(CNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000336333922 213179932 /nfs/dbraw/zinc/17/99/32/213179932.db2.gz GNHCEXKTDTVTSC-GFCCVEGCSA-N 2 2 291.399 0.908 20 0 CCADLP COC(=O)[C@H](C1CC1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000359578152 356850096 /nfs/dbraw/zinc/85/00/96/356850096.db2.gz BYTKDUPVBCSYLB-ZDUSSCGKSA-N 2 2 270.373 0.327 20 0 CCADLP COC(=O)[C@H](C1CC1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000359578152 356850099 /nfs/dbraw/zinc/85/00/99/356850099.db2.gz BYTKDUPVBCSYLB-ZDUSSCGKSA-N 2 2 270.373 0.327 20 0 CCADLP OC[C@@H]([NH2+]CCCn1cc[nH+]c1)C1CCOCC1 ZINC000359874677 356913805 /nfs/dbraw/zinc/91/38/05/356913805.db2.gz MJYCAGBSNUCPBQ-CYBMUJFWSA-N 2 2 253.346 0.650 20 0 CCADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)NC(=O)NC(C)C)CC1 ZINC000359953177 356927276 /nfs/dbraw/zinc/92/72/76/356927276.db2.gz VCYVPSSLDAJYBH-NSHDSACASA-N 2 2 284.404 0.683 20 0 CCADLP C[C@H](CN1CCCC1=O)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655697443 412646183 /nfs/dbraw/zinc/64/61/83/412646183.db2.gz PTBCPYXOFUQADJ-HIFRSBDPSA-N 2 2 295.427 0.840 20 0 CCADLP O=C1NCCCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655687591 412646458 /nfs/dbraw/zinc/64/64/58/412646458.db2.gz REGKOWCBXAJSIN-KGLIPLIRSA-N 2 2 281.400 0.498 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)C2([NH+]3CCOCC3)CCC2)CC[N@@H+]1C ZINC000360335749 356994378 /nfs/dbraw/zinc/99/43/78/356994378.db2.gz NQOVRQXQYLTVMG-KBPBESRZSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)C2([NH+]3CCOCC3)CCC2)CC[N@H+]1C ZINC000360335749 356994379 /nfs/dbraw/zinc/99/43/79/356994379.db2.gz NQOVRQXQYLTVMG-KBPBESRZSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+](C)C[C@@H](O)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655712414 412649900 /nfs/dbraw/zinc/64/99/00/412649900.db2.gz MWXPNLLPTJVGEN-GJZGRUSLSA-N 3 2 285.432 0.142 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365402361 357149824 /nfs/dbraw/zinc/14/98/24/357149824.db2.gz IVIQAMQFGRGEBV-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365402361 357149827 /nfs/dbraw/zinc/14/98/27/357149827.db2.gz IVIQAMQFGRGEBV-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)C[NH+](C)C)C1 ZINC000365460011 357152744 /nfs/dbraw/zinc/15/27/44/357152744.db2.gz JUUMPHVXGUPOKQ-NSHDSACASA-N 2 2 250.346 0.688 20 0 CCADLP CC[N@H+](CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)C1CC1 ZINC000366635454 357228376 /nfs/dbraw/zinc/22/83/76/357228376.db2.gz HBFLAEHLINDIQL-CQSZACIVSA-N 2 2 281.400 0.404 20 0 CCADLP CC[N@@H+](CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)C1CC1 ZINC000366635454 357228381 /nfs/dbraw/zinc/22/83/81/357228381.db2.gz HBFLAEHLINDIQL-CQSZACIVSA-N 2 2 281.400 0.404 20 0 CCADLP C[C@H](CO)[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655728866 412652814 /nfs/dbraw/zinc/65/28/14/412652814.db2.gz ZHXDGOVWVWDFHG-MBNYWOFBSA-N 2 2 256.390 0.846 20 0 CCADLP COCCOC[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655729314 412652918 /nfs/dbraw/zinc/65/29/18/412652918.db2.gz JDNYGRROXUFLAX-ZFWWWQNUSA-N 2 2 286.416 0.881 20 0 CCADLP OC[C@@H](CC1CC1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655737764 412653659 /nfs/dbraw/zinc/65/36/59/412653659.db2.gz PPDVMCCDSVFQPH-HUUCEWRRSA-N 2 2 268.401 0.990 20 0 CCADLP OC[C@H](CC1CC1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655737765 412653756 /nfs/dbraw/zinc/65/37/56/412653756.db2.gz PPDVMCCDSVFQPH-LSDHHAIUSA-N 2 2 268.401 0.990 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377199970 357552549 /nfs/dbraw/zinc/55/25/49/357552549.db2.gz VZDWJKDDJVHWMX-GUTXKFCHSA-N 3 2 296.459 0.645 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377199970 357552552 /nfs/dbraw/zinc/55/25/52/357552552.db2.gz VZDWJKDDJVHWMX-GUTXKFCHSA-N 3 2 296.459 0.645 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CC(C)(C)[NH3+])C2)CC1 ZINC000377200623 357552566 /nfs/dbraw/zinc/55/25/66/357552566.db2.gz ZBZQYLMAXWSHIG-LBPRGKRZSA-N 3 2 282.432 0.399 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CC(C)(C)[NH3+])C2)CC1 ZINC000377200623 357552570 /nfs/dbraw/zinc/55/25/70/357552570.db2.gz ZBZQYLMAXWSHIG-LBPRGKRZSA-N 3 2 282.432 0.399 20 0 CCADLP CO[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655776938 412657968 /nfs/dbraw/zinc/65/79/68/412657968.db2.gz MWYUWHZJYKQJSL-SOUVJXGZSA-N 2 2 284.400 0.633 20 0 CCADLP OC[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655772440 412658853 /nfs/dbraw/zinc/65/88/53/412658853.db2.gz IOGGEAVBSHYFNQ-VHDGCEQUSA-N 2 2 268.401 0.990 20 0 CCADLP CC[C@](C)([NH3+])c1cn(CC[NH+]2CCOCC2)nn1 ZINC000395188277 357760619 /nfs/dbraw/zinc/76/06/19/357760619.db2.gz WWFCUXGNGCWMTA-LBPRGKRZSA-N 2 2 253.350 0.194 20 0 CCADLP CS(=O)(=O)N1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000400275129 357792345 /nfs/dbraw/zinc/79/23/45/357792345.db2.gz YNNJKHMFQNJAGG-LEWSCRJBSA-N 2 2 295.408 0.755 20 0 CCADLP CC(C)[NH2+]C1CC[NH+](CCN2CCCS2(=O)=O)CC1 ZINC000407947730 357828605 /nfs/dbraw/zinc/82/86/05/357828605.db2.gz ISWPWVMXBNOUJU-UHFFFAOYSA-N 2 2 289.445 0.484 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2C=CCCC2)[C@H](C[NH3+])C1 ZINC000561190149 291119801 /nfs/dbraw/zinc/11/98/01/291119801.db2.gz UUWJXKQMYOJQKH-VXGBXAGGSA-N 2 2 252.362 0.379 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2C=CCCC2)[C@H](C[NH3+])C1 ZINC000561190149 291119803 /nfs/dbraw/zinc/11/98/03/291119803.db2.gz UUWJXKQMYOJQKH-VXGBXAGGSA-N 2 2 252.362 0.379 20 0 CCADLP C[C@@H](CNC(=O)[C@H](C)[NH+]1CC(C)C1)C[NH+]1CCN(C)CC1 ZINC000561266743 291124804 /nfs/dbraw/zinc/12/48/04/291124804.db2.gz XJYFQGMAQWEZDJ-ZFWWWQNUSA-N 2 2 296.459 0.326 20 0 CCADLP C[C@@H](CNC(=O)[C@H](C)[NH+]1CC(C)C1)CN1CC[NH+](C)CC1 ZINC000561266743 291124807 /nfs/dbraw/zinc/12/48/07/291124807.db2.gz XJYFQGMAQWEZDJ-ZFWWWQNUSA-N 2 2 296.459 0.326 20 0 CCADLP Cc1ccccc1[C@@H]([NH3+])C(=O)NCCC[NH+]1CCOCC1 ZINC000294640467 199118347 /nfs/dbraw/zinc/11/83/47/199118347.db2.gz BCVZYSJXMFNSEL-OAHLLOKOSA-N 2 2 291.395 0.833 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC1([NH3+])CCCCC1 ZINC000417016033 358129221 /nfs/dbraw/zinc/12/92/21/358129221.db2.gz CQLRADNMIAXQAH-CYBMUJFWSA-N 2 2 298.431 0.668 20 0 CCADLP C[NH2+]CCCNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000417517976 358133678 /nfs/dbraw/zinc/13/36/78/358133678.db2.gz JZSZQQHKQGDXGL-NEPJUHHUSA-N 2 2 272.393 0.004 20 0 CCADLP C[NH2+][C@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000422755898 358193259 /nfs/dbraw/zinc/19/32/59/358193259.db2.gz BZWQVPNTALHQKB-DZGCQCFKSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH2+][C@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000422755898 358193265 /nfs/dbraw/zinc/19/32/65/358193265.db2.gz BZWQVPNTALHQKB-DZGCQCFKSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000423194997 358197466 /nfs/dbraw/zinc/19/74/66/358197466.db2.gz XCIDTWHBLHXOIX-MNOVXSKESA-N 2 2 262.419 0.787 20 0 CCADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000423233609 358198523 /nfs/dbraw/zinc/19/85/23/358198523.db2.gz KFWBKFLWGUARAK-YPMHNXCESA-N 2 2 297.424 0.997 20 0 CCADLP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000423425889 358200912 /nfs/dbraw/zinc/20/09/12/358200912.db2.gz DOYZOQFJMGNCIA-HIFRSBDPSA-N 3 2 296.459 0.517 20 0 CCADLP CNS(=O)(=O)CCC[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000430644811 358228488 /nfs/dbraw/zinc/22/84/88/358228488.db2.gz AKFNBNPKCIQNAA-WDEREUQCSA-N 2 2 263.407 0.127 20 0 CCADLP CNS(=O)(=O)CCC[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000430644811 358228491 /nfs/dbraw/zinc/22/84/91/358228491.db2.gz AKFNBNPKCIQNAA-WDEREUQCSA-N 2 2 263.407 0.127 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC000430605886 358228538 /nfs/dbraw/zinc/22/85/38/358228538.db2.gz SWWDBWCCWIRVGZ-NWDGAFQWSA-N 2 2 284.404 0.541 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC000430605886 358228542 /nfs/dbraw/zinc/22/85/42/358228542.db2.gz SWWDBWCCWIRVGZ-NWDGAFQWSA-N 2 2 284.404 0.541 20 0 CCADLP COCC[C@@]1(C(=O)N2CCn3cc[nH+]c3C2)CC[NH2+]C1 ZINC000430910401 358229202 /nfs/dbraw/zinc/22/92/02/358229202.db2.gz TVPQGJBAERZTBX-AWEZNQCLSA-N 2 2 278.356 0.242 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC000430934031 358229547 /nfs/dbraw/zinc/22/95/47/358229547.db2.gz NCSKIGAVZTVRPA-QWRGUYRKSA-N 2 2 270.377 0.150 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC000430934031 358229550 /nfs/dbraw/zinc/22/95/50/358229550.db2.gz NCSKIGAVZTVRPA-QWRGUYRKSA-N 2 2 270.377 0.150 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000294747259 199164238 /nfs/dbraw/zinc/16/42/38/199164238.db2.gz KJGLFUAVJUGDPL-ZDUSSCGKSA-N 2 2 288.395 0.866 20 0 CCADLP CC[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC000562273636 291141280 /nfs/dbraw/zinc/14/12/80/291141280.db2.gz QDAIETLIFOUORE-UHFFFAOYSA-N 2 2 250.346 0.731 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150825898 283364177 /nfs/dbraw/zinc/36/41/77/283364177.db2.gz OUAGVSWHXPVMTQ-NWDGAFQWSA-N 2 2 282.388 0.248 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150825898 283364179 /nfs/dbraw/zinc/36/41/79/283364179.db2.gz OUAGVSWHXPVMTQ-NWDGAFQWSA-N 2 2 282.388 0.248 20 0 CCADLP COc1cc([C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)ccn1 ZINC000562376363 291148560 /nfs/dbraw/zinc/14/85/60/291148560.db2.gz QYWLNGZDCNUWJI-CMPLNLGQSA-N 2 2 253.346 0.663 20 0 CCADLP COCCn1cc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cn1 ZINC000530179783 358372742 /nfs/dbraw/zinc/37/27/42/358372742.db2.gz XGOQTPIWYNDMCO-CYBMUJFWSA-N 2 2 264.373 0.904 20 0 CCADLP CCn1nncc1C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000530207064 358378761 /nfs/dbraw/zinc/37/87/61/358378761.db2.gz CTJHJXSDXJWOBA-WDEREUQCSA-N 2 2 253.350 0.155 20 0 CCADLP C([NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)C12CC(C1)CO2 ZINC000530219948 358380637 /nfs/dbraw/zinc/38/06/37/358380637.db2.gz LPCMZCLEAPZORC-OSOQGNGPSA-N 2 2 252.358 0.522 20 0 CCADLP c1c[nH+]c(CN2CC[NH+](CCOC[C@@H]3CCCO3)CC2)[nH]1 ZINC000530780299 358421429 /nfs/dbraw/zinc/42/14/29/358421429.db2.gz JIXNGFFJIOATLX-AWEZNQCLSA-N 2 2 294.399 0.723 20 0 CCADLP CC(C)[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)[C@H](O)C(F)(F)F ZINC000565657471 358565172 /nfs/dbraw/zinc/56/51/72/358565172.db2.gz AOEYNKJLOKWKER-WOPDTQHZSA-N 2 2 298.349 0.979 20 0 CCADLP CC(C)[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)[C@H](O)C(F)(F)F ZINC000565657471 358565175 /nfs/dbraw/zinc/56/51/75/358565175.db2.gz AOEYNKJLOKWKER-WOPDTQHZSA-N 2 2 298.349 0.979 20 0 CCADLP C[C@H](CC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)n1cc[nH+]c1 ZINC000568070294 358630434 /nfs/dbraw/zinc/63/04/34/358630434.db2.gz KOQUJVWETKLJKF-MCIONIFRSA-N 2 2 292.383 0.814 20 0 CCADLP CC(C)NC(=O)NCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000567771363 358584910 /nfs/dbraw/zinc/58/49/10/358584910.db2.gz AXUCJLVGDUVZQO-AWEZNQCLSA-N 2 2 268.405 0.722 20 0 CCADLP CC(C)NC(=O)NCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000567771363 358584917 /nfs/dbraw/zinc/58/49/17/358584917.db2.gz AXUCJLVGDUVZQO-AWEZNQCLSA-N 2 2 268.405 0.722 20 0 CCADLP CC(C)NC(=O)NCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000567771363 358584921 /nfs/dbraw/zinc/58/49/21/358584921.db2.gz AXUCJLVGDUVZQO-AWEZNQCLSA-N 2 2 268.405 0.722 20 0 CCADLP CC(C)NC(=O)NCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000567771363 358584924 /nfs/dbraw/zinc/58/49/24/358584924.db2.gz AXUCJLVGDUVZQO-AWEZNQCLSA-N 2 2 268.405 0.722 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000567801299 358587851 /nfs/dbraw/zinc/58/78/51/358587851.db2.gz QUJGBJFEOTYMFT-LBPRGKRZSA-N 2 2 291.399 0.205 20 0 CCADLP C[C@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CC(=O)N1 ZINC000568245412 358656309 /nfs/dbraw/zinc/65/63/09/358656309.db2.gz MWEUPLUBCAXWMV-NSHDSACASA-N 2 2 259.353 0.653 20 0 CCADLP C[C@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CC(=O)N1 ZINC000568245412 358656313 /nfs/dbraw/zinc/65/63/13/358656313.db2.gz MWEUPLUBCAXWMV-NSHDSACASA-N 2 2 259.353 0.653 20 0 CCADLP CCC[NH2+]CCNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000417020749 283388884 /nfs/dbraw/zinc/38/88/84/283388884.db2.gz HTLUKQDZGXGABD-LBPRGKRZSA-N 2 2 272.393 0.006 20 0 CCADLP COC[C@]1(C(=O)NCc2ccc[nH+]c2N(C)C)CC[NH2+]C1 ZINC000568624577 358690225 /nfs/dbraw/zinc/69/02/25/358690225.db2.gz QLYNOXZCJVRZHX-HNNXBMFYSA-N 2 2 292.383 0.390 20 0 CCADLP Cn1cc(CC[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)cn1 ZINC000569226722 358745121 /nfs/dbraw/zinc/74/51/21/358745121.db2.gz OYGQPHGITRPECV-UHFFFAOYSA-N 2 2 292.427 0.789 20 0 CCADLP C[C@@H]1CN(c2cc(N3CCSCC3)[nH+]cn2)C[C@@H]1[NH3+] ZINC000569336485 358754641 /nfs/dbraw/zinc/75/46/41/358754641.db2.gz VBQQCSJOSFPKTQ-MNOVXSKESA-N 2 2 279.413 0.813 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000568864936 358711174 /nfs/dbraw/zinc/71/11/74/358711174.db2.gz YUWOTWQUYSWEPB-SNVBAGLBSA-N 2 2 263.332 0.817 20 0 CCADLP C[N@@H+]1CCCC12CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC000568941390 358718036 /nfs/dbraw/zinc/71/80/36/358718036.db2.gz MIYZRFSBYWISSV-UHFFFAOYSA-N 2 2 262.357 0.970 20 0 CCADLP C[N@H+]1CCCC12CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC000568941390 358718040 /nfs/dbraw/zinc/71/80/40/358718040.db2.gz MIYZRFSBYWISSV-UHFFFAOYSA-N 2 2 262.357 0.970 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H](O)Cc1cccc(F)c1)C1CC1 ZINC000568983439 358721879 /nfs/dbraw/zinc/72/18/79/358721879.db2.gz JSIZWFCFYALCTF-HOTGVXAUSA-N 2 2 296.386 0.774 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H](O)Cc1cccc(F)c1)C1CC1 ZINC000568983439 358721884 /nfs/dbraw/zinc/72/18/84/358721884.db2.gz JSIZWFCFYALCTF-HOTGVXAUSA-N 2 2 296.386 0.774 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@H](CO)Cc1ccncc1)C1CC1 ZINC000569122974 358737727 /nfs/dbraw/zinc/73/77/27/358737727.db2.gz QVLUXHWWZOSRGU-DZGCQCFKSA-N 2 2 279.384 0.030 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@H](CO)Cc1ccncc1)C1CC1 ZINC000569122974 358737730 /nfs/dbraw/zinc/73/77/30/358737730.db2.gz QVLUXHWWZOSRGU-DZGCQCFKSA-N 2 2 279.384 0.030 20 0 CCADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000570040209 358815725 /nfs/dbraw/zinc/81/57/25/358815725.db2.gz KDNLXWDWQIUDGK-NWDGAFQWSA-N 2 2 278.356 0.213 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000570108281 358824557 /nfs/dbraw/zinc/82/45/57/358824557.db2.gz YFYGTVPPOZCQEI-GXTWGEPZSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000570108281 358824562 /nfs/dbraw/zinc/82/45/62/358824562.db2.gz YFYGTVPPOZCQEI-GXTWGEPZSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000570108281 358824566 /nfs/dbraw/zinc/82/45/66/358824566.db2.gz YFYGTVPPOZCQEI-GXTWGEPZSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000570108281 358824568 /nfs/dbraw/zinc/82/45/68/358824568.db2.gz YFYGTVPPOZCQEI-GXTWGEPZSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H]1CCCC[C@@H]1C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000569808737 358793988 /nfs/dbraw/zinc/79/39/88/358793988.db2.gz JHFSYOKHRJCOAP-UPJWGTAASA-N 2 2 253.390 0.914 20 0 CCADLP C[C@@H]1CCCC[C@@H]1C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000569808737 358793991 /nfs/dbraw/zinc/79/39/91/358793991.db2.gz JHFSYOKHRJCOAP-UPJWGTAASA-N 2 2 253.390 0.914 20 0 CCADLP C[C@@H](O)CNc1cc(N2CC[C@@H]([NH+]3CCCC3)C2)nc[nH+]1 ZINC000562721657 291165325 /nfs/dbraw/zinc/16/53/25/291165325.db2.gz NYICVPHZZHGOTR-CHWSQXEVSA-N 2 2 291.399 0.944 20 0 CCADLP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000570955741 358898645 /nfs/dbraw/zinc/89/86/45/358898645.db2.gz GMBRDRHQHBACFP-OIISXLGYSA-N 2 2 291.439 0.986 20 0 CCADLP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000570955741 358898647 /nfs/dbraw/zinc/89/86/47/358898647.db2.gz GMBRDRHQHBACFP-OIISXLGYSA-N 2 2 291.439 0.986 20 0 CCADLP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000571042983 358906301 /nfs/dbraw/zinc/90/63/01/358906301.db2.gz XKGOGGBOYWBGAP-VXGBXAGGSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000571042983 358906305 /nfs/dbraw/zinc/90/63/05/358906305.db2.gz XKGOGGBOYWBGAP-VXGBXAGGSA-N 2 2 269.389 0.211 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000573466319 358970457 /nfs/dbraw/zinc/97/04/57/358970457.db2.gz RENAMRJFOFUOQQ-ZDUSSCGKSA-N 2 2 286.420 0.394 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000573466319 358970463 /nfs/dbraw/zinc/97/04/63/358970463.db2.gz RENAMRJFOFUOQQ-ZDUSSCGKSA-N 2 2 286.420 0.394 20 0 CCADLP C[NH2+][C@@H](C)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000571224519 358923954 /nfs/dbraw/zinc/92/39/54/358923954.db2.gz ALHUQROUVWBKPV-NWDGAFQWSA-N 2 2 257.378 0.067 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCc2ccc(F)cc2F)[C@H](C[NH3+])C1 ZINC000573189555 358944808 /nfs/dbraw/zinc/94/48/08/358944808.db2.gz BDUNMVGRRJQNHI-GFCCVEGCSA-N 2 2 298.337 0.749 20 0 CCADLP C[N@H+]1CCN(C(=O)NCc2ccc(F)cc2F)[C@H](C[NH3+])C1 ZINC000573189555 358944812 /nfs/dbraw/zinc/94/48/12/358944812.db2.gz BDUNMVGRRJQNHI-GFCCVEGCSA-N 2 2 298.337 0.749 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000573263138 358952394 /nfs/dbraw/zinc/95/23/94/358952394.db2.gz FBGCVOSWMPEUJQ-CRWXNKLISA-N 2 2 274.405 0.423 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000573263138 358952395 /nfs/dbraw/zinc/95/23/95/358952395.db2.gz FBGCVOSWMPEUJQ-CRWXNKLISA-N 2 2 274.405 0.423 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000573263138 358952400 /nfs/dbraw/zinc/95/24/00/358952400.db2.gz FBGCVOSWMPEUJQ-CRWXNKLISA-N 2 2 274.405 0.423 20 0 CCADLP CS[C@H](C)C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000573317738 358956335 /nfs/dbraw/zinc/95/63/35/358956335.db2.gz UCAAFCCIWZFHAN-XQHKEYJVSA-N 2 2 276.446 0.798 20 0 CCADLP CS[C@H](C)C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000573317738 358956339 /nfs/dbraw/zinc/95/63/39/358956339.db2.gz UCAAFCCIWZFHAN-XQHKEYJVSA-N 2 2 276.446 0.798 20 0 CCADLP C[NH+]1CCN(C[C@H](O)C[NH2+]CCC[NH+]2CCCCC2)CC1 ZINC000573316906 358956725 /nfs/dbraw/zinc/95/67/25/358956725.db2.gz MUQFCDLAYHNRDT-MRXNPFEDSA-N 3 2 298.475 0.060 20 0 CCADLP COc1cc(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)ccc1O ZINC000573359452 358959687 /nfs/dbraw/zinc/95/96/87/358959687.db2.gz WKSSWKRRYWDHFC-CYBMUJFWSA-N 2 2 280.368 0.946 20 0 CCADLP COc1cc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)ccc1O ZINC000573359452 358959692 /nfs/dbraw/zinc/95/96/92/358959692.db2.gz WKSSWKRRYWDHFC-CYBMUJFWSA-N 2 2 280.368 0.946 20 0 CCADLP C[C@@H](Cc1ccsc1)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000562803280 291167894 /nfs/dbraw/zinc/16/78/94/291167894.db2.gz QMSCMZGGOVSCGS-WCQYABFASA-N 2 2 296.440 0.963 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@H]2CCSC2)C[C@@H](C)O1 ZINC000573677241 358988981 /nfs/dbraw/zinc/98/89/81/358988981.db2.gz VHDSBISEFMZMIH-AAVRWANBSA-N 2 2 288.457 0.799 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000573813826 359002474 /nfs/dbraw/zinc/00/24/74/359002474.db2.gz KELIOBFNAQJGPZ-ZYHUDNBSSA-N 2 2 250.346 0.799 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000573813826 359002479 /nfs/dbraw/zinc/00/24/79/359002479.db2.gz KELIOBFNAQJGPZ-ZYHUDNBSSA-N 2 2 250.346 0.799 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000573813826 359002483 /nfs/dbraw/zinc/00/24/83/359002483.db2.gz KELIOBFNAQJGPZ-ZYHUDNBSSA-N 2 2 250.346 0.799 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000573813826 359002491 /nfs/dbraw/zinc/00/24/91/359002491.db2.gz KELIOBFNAQJGPZ-ZYHUDNBSSA-N 2 2 250.346 0.799 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)[C@@H](C[NH3+])C1 ZINC000582350587 359135990 /nfs/dbraw/zinc/13/59/90/359135990.db2.gz YEXKTQBHJDBQEN-IHRRRGAJSA-N 3 2 297.447 0.036 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)[C@@H](C[NH3+])C1 ZINC000582350587 359135995 /nfs/dbraw/zinc/13/59/95/359135995.db2.gz YEXKTQBHJDBQEN-IHRRRGAJSA-N 3 2 297.447 0.036 20 0 CCADLP COCCCNC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000584781116 359205575 /nfs/dbraw/zinc/20/55/75/359205575.db2.gz KWWVGNCTKCZASJ-CQSZACIVSA-N 2 2 269.389 0.215 20 0 CCADLP COCCCNC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000584781116 359205579 /nfs/dbraw/zinc/20/55/79/359205579.db2.gz KWWVGNCTKCZASJ-CQSZACIVSA-N 2 2 269.389 0.215 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000562962825 291175144 /nfs/dbraw/zinc/17/51/44/291175144.db2.gz MXZWUDFSMXZNKN-MRVWCRGKSA-N 3 2 255.406 0.861 20 0 CCADLP COC(=O)[C@H]([NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)C1(OC)CCC1 ZINC000590951464 359540958 /nfs/dbraw/zinc/54/09/58/359540958.db2.gz QMNQIKFZFIBZDF-UTUOFQBUSA-N 2 2 268.357 0.248 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)CCCn2cc[nH+]c2)CCO1 ZINC000591176476 359566382 /nfs/dbraw/zinc/56/63/82/359566382.db2.gz IMHHAORSZHYRNG-UHFFFAOYSA-N 2 2 294.399 0.890 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)CCCn2cc[nH+]c2)CCO1 ZINC000591176476 359566389 /nfs/dbraw/zinc/56/63/89/359566389.db2.gz IMHHAORSZHYRNG-UHFFFAOYSA-N 2 2 294.399 0.890 20 0 CCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000563048137 291184896 /nfs/dbraw/zinc/18/48/96/291184896.db2.gz RUDYURTWLXMULS-KOLCDFICSA-N 2 2 270.402 0.989 20 0 CCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000563048137 291184897 /nfs/dbraw/zinc/18/48/97/291184897.db2.gz RUDYURTWLXMULS-KOLCDFICSA-N 2 2 270.402 0.989 20 0 CCADLP [NH3+]C[C@H](NC(=O)NCCNc1cccc[nH+]1)C(F)(F)F ZINC000655913966 412688979 /nfs/dbraw/zinc/68/89/79/412688979.db2.gz WTKZAQDJNGZLFU-QMMMGPOBSA-N 2 2 291.277 0.682 20 0 CCADLP O=C1CCC(=O)N1CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591868100 359668005 /nfs/dbraw/zinc/66/80/05/359668005.db2.gz WKXUIIIKVMEWKK-LBPRGKRZSA-N 2 2 276.340 0.669 20 0 CCADLP O=C1CCC(=O)N1CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591868100 359668009 /nfs/dbraw/zinc/66/80/09/359668009.db2.gz WKXUIIIKVMEWKK-LBPRGKRZSA-N 2 2 276.340 0.669 20 0 CCADLP C[NH+](C)C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CCO1 ZINC000492813004 237305132 /nfs/dbraw/zinc/30/51/32/237305132.db2.gz OGZGCURIGJEKOC-VSQXVHSFSA-N 2 2 264.329 0.212 20 0 CCADLP O=C(/C=C\c1[nH]cc[nH+]1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000493073849 237381380 /nfs/dbraw/zinc/38/13/80/237381380.db2.gz SWNMKRXJJRPGOH-FYDYADQUSA-N 2 2 290.367 0.604 20 0 CCADLP CC1(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000563137740 291197947 /nfs/dbraw/zinc/19/79/47/291197947.db2.gz ODVMWEPPZVFVPY-GFCCVEGCSA-N 2 2 251.374 0.683 20 0 CCADLP CC1(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000563137740 291197948 /nfs/dbraw/zinc/19/79/48/291197948.db2.gz ODVMWEPPZVFVPY-GFCCVEGCSA-N 2 2 251.374 0.683 20 0 CCADLP CN1CC[NH+](CCCSC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000592359021 359825092 /nfs/dbraw/zinc/82/50/92/359825092.db2.gz MWEXEUOJAFRTLZ-AWEZNQCLSA-N 2 2 287.473 0.688 20 0 CCADLP CN1CC[NH+](CCCSC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000592359021 359825094 /nfs/dbraw/zinc/82/50/94/359825094.db2.gz MWEXEUOJAFRTLZ-AWEZNQCLSA-N 2 2 287.473 0.688 20 0 CCADLP C[NH+]1CCN(CCCSC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000592359021 359825098 /nfs/dbraw/zinc/82/50/98/359825098.db2.gz MWEXEUOJAFRTLZ-AWEZNQCLSA-N 2 2 287.473 0.688 20 0 CCADLP C[NH+]1CCN(CCCSC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000592359021 359825100 /nfs/dbraw/zinc/82/51/00/359825100.db2.gz MWEXEUOJAFRTLZ-AWEZNQCLSA-N 2 2 287.473 0.688 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(C)([NH3+])CC1 ZINC000592484998 359853155 /nfs/dbraw/zinc/85/31/55/359853155.db2.gz MOGDWDCKLZBUTH-JTQLQIEISA-N 2 2 284.404 0.812 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC[NH2+]1 ZINC000621159702 366663245 /nfs/dbraw/zinc/66/32/45/366663245.db2.gz QDRLYKDPKUIOGZ-FZMZJTMJSA-N 2 2 276.384 0.971 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC[NH2+]1 ZINC000621159702 366663247 /nfs/dbraw/zinc/66/32/47/366663247.db2.gz QDRLYKDPKUIOGZ-FZMZJTMJSA-N 2 2 276.384 0.971 20 0 CCADLP Cc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)c(C)[nH+]1 ZINC000176607090 189000980 /nfs/dbraw/zinc/00/09/80/189000980.db2.gz UVDDHZFZKDLXPM-LBPRGKRZSA-N 2 2 290.367 0.799 20 0 CCADLP COC(=O)c1cc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cn1C ZINC000593901175 360199477 /nfs/dbraw/zinc/19/94/77/360199477.db2.gz AEVCMMDWNQDMCJ-JTQLQIEISA-N 2 2 282.344 0.029 20 0 CCADLP CCOC(=O)c1ccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)o1 ZINC000593904237 360202613 /nfs/dbraw/zinc/20/26/13/360202613.db2.gz SXDOVZZTILUNAA-LLVKDONJSA-N 2 2 297.355 0.352 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c(C)o1 ZINC000594613050 360339648 /nfs/dbraw/zinc/33/96/48/360339648.db2.gz SPRBNPNIFVTAQN-CQSZACIVSA-N 2 2 282.340 0.531 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c(C)o1 ZINC000594613050 360339652 /nfs/dbraw/zinc/33/96/52/360339652.db2.gz SPRBNPNIFVTAQN-CQSZACIVSA-N 2 2 282.340 0.531 20 0 CCADLP Cc1cccc2ncc(C[N@@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)n21 ZINC000594736951 360370706 /nfs/dbraw/zinc/37/07/06/360370706.db2.gz UNTYVWMZRMEOFE-JSGCOSHPSA-N 2 2 299.378 0.387 20 0 CCADLP Cc1cccc2ncc(C[N@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)n21 ZINC000594736951 360370711 /nfs/dbraw/zinc/37/07/11/360370711.db2.gz UNTYVWMZRMEOFE-JSGCOSHPSA-N 2 2 299.378 0.387 20 0 CCADLP c1cc2n(n1)C[C@H](C[NH2+]CCC[NH+]1CCOCC1)CN2 ZINC000595139800 360443244 /nfs/dbraw/zinc/44/32/44/360443244.db2.gz WMFHOTNGMDVUJZ-CYBMUJFWSA-N 2 2 279.388 0.237 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000594946281 360424130 /nfs/dbraw/zinc/42/41/30/360424130.db2.gz DFIIDEJZSLWUJC-STQMWFEESA-N 2 2 279.388 0.913 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000594946281 360424132 /nfs/dbraw/zinc/42/41/32/360424132.db2.gz DFIIDEJZSLWUJC-STQMWFEESA-N 2 2 279.388 0.913 20 0 CCADLP CCN1CC[NH+]([C@H]2CCN(C(=O)N[C@H](C)C[NH2+]C)C2)CC1 ZINC000595275556 360473267 /nfs/dbraw/zinc/47/32/67/360473267.db2.gz ODGYBKPKPFHXKR-KGLIPLIRSA-N 2 2 297.447 0.016 20 0 CCADLP COC(=O)[C@@](C)(CO)[NH2+]CCCCn1cc[nH+]c1C ZINC000595531957 360567196 /nfs/dbraw/zinc/56/71/96/360567196.db2.gz MXZJUXHFROWTND-CYBMUJFWSA-N 2 2 269.345 0.485 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000563450882 291231136 /nfs/dbraw/zinc/23/11/36/291231136.db2.gz JSXUMZTWKMTDAO-LLVKDONJSA-N 2 2 265.361 0.941 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000563450882 291231138 /nfs/dbraw/zinc/23/11/38/291231138.db2.gz JSXUMZTWKMTDAO-LLVKDONJSA-N 2 2 265.361 0.941 20 0 CCADLP C[C@H](NC(=O)N(C)Cc1c[nH+]c[nH]1)[C@H]1CCC[NH2+]C1 ZINC000563451795 291231471 /nfs/dbraw/zinc/23/14/71/291231471.db2.gz OUTHAFXEHVSWGL-QWRGUYRKSA-N 2 2 265.361 0.939 20 0 CCADLP C[C@H](NC(=O)N(C)Cc1c[nH]c[nH+]1)[C@H]1CCC[NH2+]C1 ZINC000563451795 291231473 /nfs/dbraw/zinc/23/14/73/291231473.db2.gz OUTHAFXEHVSWGL-QWRGUYRKSA-N 2 2 265.361 0.939 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N1CC[N@H+](CCC(=O)OC)[C@H](C)C1 ZINC000595955755 360732488 /nfs/dbraw/zinc/73/24/88/360732488.db2.gz HVMYENCGYJETGW-NEPJUHHUSA-N 2 2 285.388 0.080 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N1CC[N@@H+](CCC(=O)OC)[C@H](C)C1 ZINC000595955755 360732489 /nfs/dbraw/zinc/73/24/89/360732489.db2.gz HVMYENCGYJETGW-NEPJUHHUSA-N 2 2 285.388 0.080 20 0 CCADLP C[C@@H]([NH3+])C1CC[NH+](Cc2nnn(C(C)(C)C)n2)CC1 ZINC000655936273 412707909 /nfs/dbraw/zinc/70/79/09/412707909.db2.gz COVGHWFSYLRBBT-SNVBAGLBSA-N 2 2 266.393 0.987 20 0 CCADLP C[NH2+]C[C@H]1CCN(C(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000178964225 189157837 /nfs/dbraw/zinc/15/78/37/189157837.db2.gz POYMXDBAVIDRSF-GFCCVEGCSA-N 2 2 272.352 0.945 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)NCCn1cc[nH+]c1 ZINC000299379675 200701853 /nfs/dbraw/zinc/70/18/53/200701853.db2.gz PLIBAPOLDYIDGM-NSHDSACASA-N 2 2 253.350 0.523 20 0 CCADLP CNS(=O)(=O)CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000621258719 366684761 /nfs/dbraw/zinc/68/47/61/366684761.db2.gz WMIKBRKJBZQJFN-CYBMUJFWSA-N 2 2 289.445 0.486 20 0 CCADLP CNS(=O)(=O)CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000621258719 366684765 /nfs/dbraw/zinc/68/47/65/366684765.db2.gz WMIKBRKJBZQJFN-CYBMUJFWSA-N 2 2 289.445 0.486 20 0 CCADLP Cc1c([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cnn1C ZINC000180317102 189249627 /nfs/dbraw/zinc/24/96/27/189249627.db2.gz MRUPMPDYAUAKPK-NSHDSACASA-N 2 2 279.388 0.153 20 0 CCADLP CNS(=O)(=O)CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000621261849 366688287 /nfs/dbraw/zinc/68/82/87/366688287.db2.gz GJFYQHNUENJSHK-UHFFFAOYSA-N 2 2 272.374 0.069 20 0 CCADLP CCOc1cncc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)c1 ZINC000621342751 366740380 /nfs/dbraw/zinc/74/03/80/366740380.db2.gz IBBBSIRBSFIKLV-CQSZACIVSA-N 2 2 267.373 0.883 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000621346383 366742352 /nfs/dbraw/zinc/74/23/52/366742352.db2.gz MKWZAOIRFYCBOU-GFCCVEGCSA-N 2 2 262.357 0.728 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccccn2)C[C@H]1C[NH3+] ZINC000631828095 370694049 /nfs/dbraw/zinc/69/40/49/370694049.db2.gz FCSZQTDTZAOGOO-VXGBXAGGSA-N 2 2 262.357 0.937 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccn2)C[C@H]1C[NH3+] ZINC000631828095 370694051 /nfs/dbraw/zinc/69/40/51/370694051.db2.gz FCSZQTDTZAOGOO-VXGBXAGGSA-N 2 2 262.357 0.937 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621653004 366817098 /nfs/dbraw/zinc/81/70/98/366817098.db2.gz MHSFFCRXQMBWNB-AWEZNQCLSA-N 2 2 283.416 0.557 20 0 CCADLP Cc1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ccn1 ZINC000598680372 361479164 /nfs/dbraw/zinc/47/91/64/361479164.db2.gz ADVKAHRYWCHLBG-CHWSQXEVSA-N 2 2 260.341 0.134 20 0 CCADLP Cc1cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ccn1 ZINC000598680372 361479168 /nfs/dbraw/zinc/47/91/68/361479168.db2.gz ADVKAHRYWCHLBG-CHWSQXEVSA-N 2 2 260.341 0.134 20 0 CCADLP CN(C)c1cc[nH+]c(N2CC[C@@H]([NH+]3CC=CC3)C2)n1 ZINC000301740640 201170549 /nfs/dbraw/zinc/17/05/49/201170549.db2.gz DQCBMEJACZSWNL-GFCCVEGCSA-N 2 2 259.357 0.993 20 0 CCADLP [NH3+][C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1cscn1 ZINC000564445587 291279730 /nfs/dbraw/zinc/27/97/30/291279730.db2.gz BZYKFRPWHBDHCM-KCJUWKMLSA-N 2 2 266.370 0.496 20 0 CCADLP C[C@H](C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)[NH+]1CCN(C)CC1 ZINC000564453091 291280509 /nfs/dbraw/zinc/28/05/09/291280509.db2.gz RDQDMOYGESFTGD-BARDWOONSA-N 2 2 294.443 0.208 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000599311598 361648508 /nfs/dbraw/zinc/64/85/08/361648508.db2.gz XKYZJQJXXXGPGT-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC000599311598 361648510 /nfs/dbraw/zinc/64/85/10/361648510.db2.gz XKYZJQJXXXGPGT-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000599345245 361663561 /nfs/dbraw/zinc/66/35/61/361663561.db2.gz OHCFGZDGOWANBX-ZDUSSCGKSA-N 2 2 284.400 0.861 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000599345245 361663564 /nfs/dbraw/zinc/66/35/64/361663564.db2.gz OHCFGZDGOWANBX-ZDUSSCGKSA-N 2 2 284.400 0.861 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)Nc1cc[nH+]cc1C(N)=O ZINC000302051039 201320449 /nfs/dbraw/zinc/32/04/49/201320449.db2.gz XHPVWJRQQQXFGG-JTQLQIEISA-N 2 2 264.329 0.313 20 0 CCADLP O=C(NCc1ccn2cc[nH+]c2c1)N[C@H]1CC[NH2+]C1 ZINC000564584200 291287201 /nfs/dbraw/zinc/28/72/01/291287201.db2.gz FTFYUZIXZSLJHJ-NSHDSACASA-N 2 2 259.313 0.495 20 0 CCADLP C[C@@H](CC[NH3+])NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000564655010 291291336 /nfs/dbraw/zinc/29/13/36/291291336.db2.gz HQKSBGYKNDWCRN-VIFPVBQESA-N 2 2 260.301 0.129 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)N[C@@]2(C)CC[NH2+]C2)c2[nH+]ccn21 ZINC000612909261 364042649 /nfs/dbraw/zinc/04/26/49/364042649.db2.gz TVCSPIDRBCGLOW-BREBYQMCSA-N 2 2 263.345 0.940 20 0 CCADLP CCS(=O)(=O)NCCC[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631835438 370700518 /nfs/dbraw/zinc/70/05/18/370700518.db2.gz UXCSVNOGRGSNQN-GFCCVEGCSA-N 2 2 277.434 0.519 20 0 CCADLP CCS(=O)(=O)NCCC[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631835438 370700520 /nfs/dbraw/zinc/70/05/20/370700520.db2.gz UXCSVNOGRGSNQN-GFCCVEGCSA-N 2 2 277.434 0.519 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N1CCCCC[C@H]([NH3+])C1 ZINC000631834643 370700971 /nfs/dbraw/zinc/70/09/71/370700971.db2.gz CGRSYROIEWDAHM-KBPBESRZSA-N 2 2 255.406 0.910 20 0 CCADLP CN(CCC[NH+](C)C)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000613259351 364185563 /nfs/dbraw/zinc/18/55/63/364185563.db2.gz GXIBITXAZYLDGE-LLVKDONJSA-N 2 2 264.373 0.925 20 0 CCADLP CN(CCC[NH+](C)C)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000613259351 364185569 /nfs/dbraw/zinc/18/55/69/364185569.db2.gz GXIBITXAZYLDGE-LLVKDONJSA-N 2 2 264.373 0.925 20 0 CCADLP C[C@@H]1C[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C[C@H]1C[NH3+] ZINC000631842810 370708164 /nfs/dbraw/zinc/70/81/64/370708164.db2.gz GDSYPBODLNKTDH-RKDXNWHRSA-N 3 2 253.350 0.290 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C[C@H]1C[NH3+] ZINC000631842810 370708167 /nfs/dbraw/zinc/70/81/67/370708167.db2.gz GDSYPBODLNKTDH-RKDXNWHRSA-N 3 2 253.350 0.290 20 0 CCADLP Cc1cc(=O)n2nc(C[N@@H+]3C[C@@H](C[NH3+])[C@H](C)C3)sc2n1 ZINC000631844407 370709752 /nfs/dbraw/zinc/70/97/52/370709752.db2.gz XDCBUYNIWXKPBB-PSASIEDQSA-N 2 2 293.396 0.486 20 0 CCADLP Cc1cc(=O)n2nc(C[N@H+]3C[C@@H](C[NH3+])[C@H](C)C3)sc2n1 ZINC000631844407 370709757 /nfs/dbraw/zinc/70/97/57/370709757.db2.gz XDCBUYNIWXKPBB-PSASIEDQSA-N 2 2 293.396 0.486 20 0 CCADLP C[C@H](C(=O)NC(C)(C)C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631863770 370724062 /nfs/dbraw/zinc/72/40/62/370724062.db2.gz FDJGLJRJFWDNKP-LLVKDONJSA-N 2 2 271.405 0.336 20 0 CCADLP O=S1(=O)CC[C@@H](C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)C1 ZINC000631867054 370727127 /nfs/dbraw/zinc/72/71/27/370727127.db2.gz HWTHPPILKXANMS-TUAOUCFPSA-N 2 2 258.387 0.153 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)C[C@@H](C)O1 ZINC000631885783 370736375 /nfs/dbraw/zinc/73/63/75/370736375.db2.gz DWBLITUNAICRFB-TUVASFSCSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)C[C@@H](C)O1 ZINC000631885783 370736381 /nfs/dbraw/zinc/73/63/81/370736381.db2.gz DWBLITUNAICRFB-TUVASFSCSA-N 2 2 295.427 0.696 20 0 CCADLP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)NCc1cccnc1 ZINC000631889332 370737996 /nfs/dbraw/zinc/73/79/96/370737996.db2.gz IXVIVLTUIXFHRG-GJZGRUSLSA-N 2 2 288.395 0.772 20 0 CCADLP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)NCc1cccnc1 ZINC000631889332 370738005 /nfs/dbraw/zinc/73/80/05/370738005.db2.gz IXVIVLTUIXFHRG-GJZGRUSLSA-N 2 2 288.395 0.772 20 0 CCADLP CCCCNC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631886733 370738360 /nfs/dbraw/zinc/73/83/60/370738360.db2.gz LXPJLBTWTAPHGC-CHWSQXEVSA-N 2 2 253.390 0.977 20 0 CCADLP CCCCNC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631886733 370738364 /nfs/dbraw/zinc/73/83/64/370738364.db2.gz LXPJLBTWTAPHGC-CHWSQXEVSA-N 2 2 253.390 0.977 20 0 CCADLP CCN(CC)C(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631890950 370739317 /nfs/dbraw/zinc/73/93/17/370739317.db2.gz WOKVWYBKYHMDDI-STQMWFEESA-N 2 2 253.390 0.929 20 0 CCADLP CCN(CC)C(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631890950 370739322 /nfs/dbraw/zinc/73/93/22/370739322.db2.gz WOKVWYBKYHMDDI-STQMWFEESA-N 2 2 253.390 0.929 20 0 CCADLP Cc1cc(CNS(=O)(=O)C[C@H]2C[NH2+]CCO2)cc(C)[nH+]1 ZINC000631945817 370779475 /nfs/dbraw/zinc/77/94/75/370779475.db2.gz KGZHGCVPNYKLPH-CYBMUJFWSA-N 2 2 299.396 0.106 20 0 CCADLP C[N@H+](C[C@@H](O)CNCc1c[nH+]c2n1CCCC2)C1CC1 ZINC000564869790 291309337 /nfs/dbraw/zinc/30/93/37/291309337.db2.gz IKWVNOOIHXJJNT-AWEZNQCLSA-N 2 2 278.400 0.764 20 0 CCADLP C[N@@H+](C[C@@H](O)CNCc1c[nH+]c2n1CCCC2)C1CC1 ZINC000564869790 291309339 /nfs/dbraw/zinc/30/93/39/291309339.db2.gz IKWVNOOIHXJJNT-AWEZNQCLSA-N 2 2 278.400 0.764 20 0 CCADLP C[NH+](C)C1(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)CC1 ZINC000614108189 364505845 /nfs/dbraw/zinc/50/58/45/364505845.db2.gz VARJUWIUPVIRCM-VXGBXAGGSA-N 2 2 269.364 0.725 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621780936 366865110 /nfs/dbraw/zinc/86/51/10/366865110.db2.gz XLJQKKNHPNDBSJ-KCQAQPDRSA-N 2 2 283.416 0.731 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621780936 366865113 /nfs/dbraw/zinc/86/51/13/366865113.db2.gz XLJQKKNHPNDBSJ-KCQAQPDRSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000564924198 291316931 /nfs/dbraw/zinc/31/69/31/291316931.db2.gz JDRSJZGETVTLPU-SOUVJXGZSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1(C)C ZINC000614409398 364596754 /nfs/dbraw/zinc/59/67/54/364596754.db2.gz FVCCZKPHMSBBFN-LBPRGKRZSA-N 2 2 276.384 0.998 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1(C)C ZINC000614409398 364596761 /nfs/dbraw/zinc/59/67/61/364596761.db2.gz FVCCZKPHMSBBFN-LBPRGKRZSA-N 2 2 276.384 0.998 20 0 CCADLP Cc1[nH+]c2ccc(C(=O)N[C@H](CO)C[NH+](C)C)cc2n1C ZINC000614847501 364747370 /nfs/dbraw/zinc/74/73/70/364747370.db2.gz MDRYLCQSYJFMJO-LBPRGKRZSA-N 2 2 290.367 0.534 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000335643070 212359768 /nfs/dbraw/zinc/35/97/68/212359768.db2.gz MMMRWHRLAUOSIS-DGCLKSJQSA-N 2 2 283.351 0.615 20 0 CCADLP CN(CCCN(C)C(=O)C1([NH+](C)C)CC1)CC[NH+](C)C ZINC000614937476 364789927 /nfs/dbraw/zinc/78/99/27/364789927.db2.gz HYESHJIPSDEFBG-UHFFFAOYSA-N 2 2 284.448 0.423 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000294594541 283803801 /nfs/dbraw/zinc/80/38/01/283803801.db2.gz ZMLSEEVDZRAXDZ-CYBMUJFWSA-N 2 2 280.372 0.236 20 0 CCADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000615182673 364872629 /nfs/dbraw/zinc/87/26/29/364872629.db2.gz LKCSQUZCZBVBPL-MJVIPROJSA-N 2 2 274.368 0.677 20 0 CCADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000615182673 364872632 /nfs/dbraw/zinc/87/26/32/364872632.db2.gz LKCSQUZCZBVBPL-MJVIPROJSA-N 2 2 274.368 0.677 20 0 CCADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000615182673 364872637 /nfs/dbraw/zinc/87/26/37/364872637.db2.gz LKCSQUZCZBVBPL-MJVIPROJSA-N 2 2 274.368 0.677 20 0 CCADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000615182673 364872643 /nfs/dbraw/zinc/87/26/43/364872643.db2.gz LKCSQUZCZBVBPL-MJVIPROJSA-N 2 2 274.368 0.677 20 0 CCADLP O=C(NCCCCn1cc[nH+]c1)NCCn1cc[nH+]c1 ZINC000615910127 365126886 /nfs/dbraw/zinc/12/68/86/365126886.db2.gz AWOOZIFMMHUUFH-UHFFFAOYSA-N 2 2 276.344 0.859 20 0 CCADLP C[C@H](CC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)n1cc[nH+]c1 ZINC000565151324 291347731 /nfs/dbraw/zinc/34/77/31/291347731.db2.gz LFJANYQQOFRNEU-ZIAGYGMSSA-N 2 2 291.399 0.340 20 0 CCADLP Cc1c[nH+]c(C)nc1N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000565219940 291362700 /nfs/dbraw/zinc/36/27/00/291362700.db2.gz BHIRGVKUMGYFPY-UHFFFAOYSA-N 2 2 277.372 0.304 20 0 CCADLP CC(C)(C(=O)N[C@@H]1CCC[N@H+](CCCO)C1)c1c[nH]c[nH+]1 ZINC000622075026 367008473 /nfs/dbraw/zinc/00/84/73/367008473.db2.gz PYBDZJVIMIMJGT-GFCCVEGCSA-N 2 2 294.399 0.650 20 0 CCADLP CC(C)(C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)c1c[nH]c[nH+]1 ZINC000622075026 367008482 /nfs/dbraw/zinc/00/84/82/367008482.db2.gz PYBDZJVIMIMJGT-GFCCVEGCSA-N 2 2 294.399 0.650 20 0 CCADLP CC(C)(C(=O)N[C@@H]1CCC[N@H+](CCCO)C1)c1c[nH+]c[nH]1 ZINC000622075026 367008487 /nfs/dbraw/zinc/00/84/87/367008487.db2.gz PYBDZJVIMIMJGT-GFCCVEGCSA-N 2 2 294.399 0.650 20 0 CCADLP CC(C)(C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)c1c[nH+]c[nH]1 ZINC000622075026 367008492 /nfs/dbraw/zinc/00/84/92/367008492.db2.gz PYBDZJVIMIMJGT-GFCCVEGCSA-N 2 2 294.399 0.650 20 0 CCADLP C[NH+](C)Cc1ccc(C(=O)NCCn2cc[nH+]c2)cn1 ZINC000622307734 367111533 /nfs/dbraw/zinc/11/15/33/367111533.db2.gz KEWOUZXGYZIBON-UHFFFAOYSA-N 2 2 273.340 0.770 20 0 CCADLP C[NH+](C)CCCS(=O)(=O)N1CCOc2cc[nH+]cc21 ZINC000632075014 370859112 /nfs/dbraw/zinc/85/91/12/370859112.db2.gz JEOAARZMXUDRCE-UHFFFAOYSA-N 2 2 285.369 0.562 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@H]2CCC[C@@H]2O)C[C@@H](C)O1 ZINC000566231651 291379750 /nfs/dbraw/zinc/37/97/50/291379750.db2.gz DNZQLAMAHZXNPZ-RYPNDVFKSA-N 2 2 286.416 0.207 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000622631712 367233664 /nfs/dbraw/zinc/23/36/64/367233664.db2.gz SZFMKWQUWJTLPE-LBPRGKRZSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000622631712 367233670 /nfs/dbraw/zinc/23/36/70/367233670.db2.gz SZFMKWQUWJTLPE-LBPRGKRZSA-N 2 2 280.372 0.305 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CCCc2cn[nH]c21)C[NH+]1CCCC1 ZINC000623182241 367468941 /nfs/dbraw/zinc/46/89/41/367468941.db2.gz HWZBSOIKMNAICD-CHWSQXEVSA-N 2 2 264.373 0.833 20 0 CCADLP CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623176342 367464582 /nfs/dbraw/zinc/46/45/82/367464582.db2.gz VYCCHDATJKZHKA-RISCZKNCSA-N 2 2 264.373 0.935 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623176345 367464702 /nfs/dbraw/zinc/46/47/02/367464702.db2.gz WBKXPYZIVIJUOD-MNOVXSKESA-N 2 2 250.346 0.545 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623177358 367466064 /nfs/dbraw/zinc/46/60/64/367466064.db2.gz UDLWLZXTXCRRIA-GRYCIOLGSA-N 2 2 262.357 0.560 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623306016 367527149 /nfs/dbraw/zinc/52/71/49/367527149.db2.gz FJYZTBHUIHWBGS-OLZOCXBDSA-N 2 2 292.383 0.282 20 0 CCADLP C[C@H](CS(C)(=O)=O)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623417716 367560338 /nfs/dbraw/zinc/56/03/38/367560338.db2.gz LVFQOMSTFSCWCI-MNOVXSKESA-N 2 2 262.419 0.882 20 0 CCADLP C[C@H](CS(C)(=O)=O)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623417716 367560341 /nfs/dbraw/zinc/56/03/41/367560341.db2.gz LVFQOMSTFSCWCI-MNOVXSKESA-N 2 2 262.419 0.882 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623493009 367573751 /nfs/dbraw/zinc/57/37/51/367573751.db2.gz RTQJNZIIIBSNLZ-JSGCOSHPSA-N 3 2 255.406 0.515 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623493009 367573754 /nfs/dbraw/zinc/57/37/54/367573754.db2.gz RTQJNZIIIBSNLZ-JSGCOSHPSA-N 3 2 255.406 0.515 20 0 CCADLP C[NH+]1CC[C@](O)(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623493009 367573761 /nfs/dbraw/zinc/57/37/61/367573761.db2.gz RTQJNZIIIBSNLZ-JSGCOSHPSA-N 3 2 255.406 0.515 20 0 CCADLP C[NH+]1CC[C@](O)(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623493009 367573768 /nfs/dbraw/zinc/57/37/68/367573768.db2.gz RTQJNZIIIBSNLZ-JSGCOSHPSA-N 3 2 255.406 0.515 20 0 CCADLP CC[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CO1 ZINC000623620414 367608292 /nfs/dbraw/zinc/60/82/92/367608292.db2.gz PDRZAGJEIZUUMO-UPJWGTAASA-N 2 2 269.389 0.483 20 0 CCADLP CC[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CO1 ZINC000623620414 367608297 /nfs/dbraw/zinc/60/82/97/367608297.db2.gz PDRZAGJEIZUUMO-UPJWGTAASA-N 2 2 269.389 0.483 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CO1 ZINC000623619728 367606668 /nfs/dbraw/zinc/60/66/68/367606668.db2.gz USVRGGGSUNPXBP-TUAOUCFPSA-N 2 2 255.362 0.093 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CO1 ZINC000623619728 367606673 /nfs/dbraw/zinc/60/66/73/367606673.db2.gz USVRGGGSUNPXBP-TUAOUCFPSA-N 2 2 255.362 0.093 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000623717233 367631658 /nfs/dbraw/zinc/63/16/58/367631658.db2.gz QOGBLTKCCCOTIU-KGLIPLIRSA-N 2 2 298.431 0.347 20 0 CCADLP CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000623717233 367631661 /nfs/dbraw/zinc/63/16/61/367631661.db2.gz QOGBLTKCCCOTIU-KGLIPLIRSA-N 2 2 298.431 0.347 20 0 CCADLP CC(C)[NH+]1CC[C@H](CNC(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000623717233 367631664 /nfs/dbraw/zinc/63/16/64/367631664.db2.gz QOGBLTKCCCOTIU-KGLIPLIRSA-N 2 2 298.431 0.347 20 0 CCADLP CC(C)[NH+]1CC[C@H](CNC(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000623717233 367631665 /nfs/dbraw/zinc/63/16/65/367631665.db2.gz QOGBLTKCCCOTIU-KGLIPLIRSA-N 2 2 298.431 0.347 20 0 CCADLP CCN(CC)c1ccc(Nc2nc(N)[nH+]c(N)n2)c[nH+]1 ZINC000623865121 367681448 /nfs/dbraw/zinc/68/14/48/367681448.db2.gz HFPDJFBUXAQEQM-UHFFFAOYSA-N 2 2 274.332 0.103 20 0 CCADLP Nc1nc(N)[nH+]c(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC000624000339 367722421 /nfs/dbraw/zinc/72/24/21/367722421.db2.gz XUQBNEAPEQMHET-JTQLQIEISA-N 2 2 277.376 0.009 20 0 CCADLP COC1CCC([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000624086115 367749881 /nfs/dbraw/zinc/74/98/81/367749881.db2.gz WPXIDDVEAJJSPJ-RUXDESIVSA-N 2 2 283.416 0.873 20 0 CCADLP COC1CCC([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000624086115 367749884 /nfs/dbraw/zinc/74/98/84/367749884.db2.gz WPXIDDVEAJJSPJ-RUXDESIVSA-N 2 2 283.416 0.873 20 0 CCADLP C[C@H](CNC(=O)CC(F)(F)C[NH3+])C[NH+]1CCOCC1 ZINC000566408439 291400451 /nfs/dbraw/zinc/40/04/51/291400451.db2.gz ZXMADAPMZOYPOL-SNVBAGLBSA-N 2 2 279.331 0.055 20 0 CCADLP CO[C@H]1C[C@H]2C[C@H]([NH2+]CC[N@@H+]3CC[C@@H](O)C3)C[C@H]2C1 ZINC000624231268 367798624 /nfs/dbraw/zinc/79/86/24/367798624.db2.gz VCEKXJSMBJPJPZ-FQKPHLNHSA-N 2 2 268.401 0.846 20 0 CCADLP CO[C@H]1C[C@H]2C[C@H]([NH2+]CC[N@H+]3CC[C@@H](O)C3)C[C@H]2C1 ZINC000624231268 367798634 /nfs/dbraw/zinc/79/86/34/367798634.db2.gz VCEKXJSMBJPJPZ-FQKPHLNHSA-N 2 2 268.401 0.846 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@H]1CCC[N@H+](C)C1)CC2 ZINC000625295503 368138184 /nfs/dbraw/zinc/13/81/84/368138184.db2.gz BAEQICPCPAUFSA-STQMWFEESA-N 2 2 276.384 0.964 20 0 CCADLP C[N@H+](C[C@H](O)CN1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000625435824 368199632 /nfs/dbraw/zinc/19/96/32/368199632.db2.gz XCXAMJOLHSUWSV-NSHDSACASA-N 2 2 250.346 0.223 20 0 CCADLP C[N@@H+](C[C@H](O)CN1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000625435824 368199637 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Cc1noc([C@H]2OCC[C@H]2[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)n1 ZINC000626143728 368455889 /nfs/dbraw/zinc/45/58/89/368455889.db2.gz CYSBSOGKPFXRHX-UPJWGTAASA-N 2 2 296.371 0.253 20 0 CCADLP Cc1noc([C@H]2OCC[C@H]2[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)n1 ZINC000626143728 368455894 /nfs/dbraw/zinc/45/58/94/368455894.db2.gz CYSBSOGKPFXRHX-UPJWGTAASA-N 2 2 296.371 0.253 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000626206538 368486929 /nfs/dbraw/zinc/48/69/29/368486929.db2.gz RKIDVJOBWMEJON-NEPJUHHUSA-N 2 2 266.345 0.027 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000626206538 368486935 /nfs/dbraw/zinc/48/69/35/368486935.db2.gz RKIDVJOBWMEJON-NEPJUHHUSA-N 2 2 266.345 0.027 20 0 CCADLP CCC1([NH+](C)C)CC[NH+](CCS(=O)(=O)NC)CC1 ZINC000640016006 376193011 /nfs/dbraw/zinc/19/30/11/376193011.db2.gz QLBGPIHCOCLFQM-UHFFFAOYSA-N 2 2 277.434 0.342 20 0 CCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000627003339 368729133 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CCn1cc[nH+]c1CNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627049075 368755579 /nfs/dbraw/zinc/75/55/79/368755579.db2.gz OOSCGMDMSBFLHG-WDEREUQCSA-N 2 2 265.361 0.843 20 0 CCADLP CCC([NH3+])(CC)CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627081564 368779670 /nfs/dbraw/zinc/77/96/70/368779670.db2.gz VJCYYRVXLRCBNJ-LLVKDONJSA-N 2 2 272.393 0.134 20 0 CCADLP CCC([NH3+])(CC)CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627081564 368779672 /nfs/dbraw/zinc/77/96/72/368779672.db2.gz VJCYYRVXLRCBNJ-LLVKDONJSA-N 2 2 272.393 0.134 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000627100668 368795126 /nfs/dbraw/zinc/79/51/26/368795126.db2.gz KHXACOOXBPTUBC-QWHCGFSZSA-N 2 2 284.404 0.148 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000627100668 368795132 /nfs/dbraw/zinc/79/51/32/368795132.db2.gz KHXACOOXBPTUBC-QWHCGFSZSA-N 2 2 284.404 0.148 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000627184157 368852788 /nfs/dbraw/zinc/85/27/88/368852788.db2.gz 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C[C@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)N(C)C)[nH]2)C[NH2+]1 ZINC000629412856 369667188 /nfs/dbraw/zinc/66/71/88/369667188.db2.gz LHCOZIAILAIJLN-QWRGUYRKSA-N 2 2 264.373 0.947 20 0 CCADLP C[NH2+]CCOCC[N@H+](C)Cc1nc(-c2ccccn2)no1 ZINC000629569396 369714859 /nfs/dbraw/zinc/71/48/59/369714859.db2.gz BTJVDPRQUAOUSZ-UHFFFAOYSA-N 2 2 291.355 0.799 20 0 CCADLP C[NH2+]CCOCC[N@@H+](C)Cc1nc(-c2ccccn2)no1 ZINC000629569396 369714862 /nfs/dbraw/zinc/71/48/62/369714862.db2.gz BTJVDPRQUAOUSZ-UHFFFAOYSA-N 2 2 291.355 0.799 20 0 CCADLP C[NH2+]CCOCC[N@H+](C)[C@@H](C)c1nnnn1C1CC1 ZINC000629571710 369716524 /nfs/dbraw/zinc/71/65/24/369716524.db2.gz HUOXRBUAOZNSTE-JTQLQIEISA-N 2 2 268.365 0.237 20 0 CCADLP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)c1nnnn1C1CC1 ZINC000629571710 369716527 /nfs/dbraw/zinc/71/65/27/369716527.db2.gz HUOXRBUAOZNSTE-JTQLQIEISA-N 2 2 268.365 0.237 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1C[N@H+](CCOC2CCOCC2)CCO1 ZINC000629512850 369687368 /nfs/dbraw/zinc/68/73/68/369687368.db2.gz IOBAHOVCDLKTSQ-YPMHNXCESA-N 2 2 258.362 0.230 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CCOC2CCOCC2)CCO1 ZINC000629512850 369687370 /nfs/dbraw/zinc/68/73/70/369687370.db2.gz IOBAHOVCDLKTSQ-YPMHNXCESA-N 2 2 258.362 0.230 20 0 CCADLP C[C@](C[NH3+])([NH2+]CCS(=O)(=O)c1ccccn1)C1CC1 ZINC000629515340 369689693 /nfs/dbraw/zinc/68/96/93/369689693.db2.gz RXCYIURBDZMULA-CYBMUJFWSA-N 2 2 283.397 0.572 20 0 CCADLP CCn1nnc(C)c1C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000629534605 369694403 /nfs/dbraw/zinc/69/44/03/369694403.db2.gz AJEWTUWAMZEUTD-NSHDSACASA-N 2 2 253.350 0.156 20 0 CCADLP CCn1nnc(C)c1C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000629534605 369694406 /nfs/dbraw/zinc/69/44/06/369694406.db2.gz AJEWTUWAMZEUTD-NSHDSACASA-N 2 2 253.350 0.156 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC000629556140 369705523 /nfs/dbraw/zinc/70/55/23/369705523.db2.gz KUXVLZKIJKGERD-MBNYWOFBSA-N 2 2 281.400 0.496 20 0 CCADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629556942 369706630 /nfs/dbraw/zinc/70/66/30/369706630.db2.gz SDGWTPOZXOHRQM-UKRRQHHQSA-N 3 2 280.416 0.874 20 0 CCADLP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629558472 369708063 /nfs/dbraw/zinc/70/80/63/369708063.db2.gz IHEHEIWISDVJRA-LSDHHAIUSA-N 3 2 269.433 0.765 20 0 CCADLP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629558472 369708067 /nfs/dbraw/zinc/70/80/67/369708067.db2.gz IHEHEIWISDVJRA-LSDHHAIUSA-N 3 2 269.433 0.765 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000629653475 369748965 /nfs/dbraw/zinc/74/89/65/369748965.db2.gz IDPJPPTVEIOCNS-LLVKDONJSA-N 2 2 294.403 0.387 20 0 CCADLP OCc1cccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)n1 ZINC000629593724 369732002 /nfs/dbraw/zinc/73/20/02/369732002.db2.gz JLRQGBOKZWOJCA-AWEZNQCLSA-N 2 2 265.357 0.120 20 0 CCADLP CCC(F)(F)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000629596747 369734404 /nfs/dbraw/zinc/73/44/04/369734404.db2.gz LGXUBCQWJOSKPS-LLVKDONJSA-N 2 2 265.348 0.230 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCNc1cc[nH+]cc1 ZINC000629950361 369850939 /nfs/dbraw/zinc/85/09/39/369850939.db2.gz LTWJSMQCSCJSHM-LLVKDONJSA-N 2 2 273.340 0.634 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCNc1cc[nH+]cc1 ZINC000629950361 369850942 /nfs/dbraw/zinc/85/09/42/369850942.db2.gz LTWJSMQCSCJSHM-LLVKDONJSA-N 2 2 273.340 0.634 20 0 CCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C[N@H+](C)C1CCC1 ZINC000629992610 369877646 /nfs/dbraw/zinc/87/76/46/369877646.db2.gz VCCCXPOUMIZLPI-DZGCQCFKSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C[N@@H+](C)C1CCC1 ZINC000629992610 369877649 /nfs/dbraw/zinc/87/76/49/369877649.db2.gz VCCCXPOUMIZLPI-DZGCQCFKSA-N 2 2 295.427 0.792 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)N2CCC([NH3+])CC2)CCO1 ZINC000630343682 370053033 /nfs/dbraw/zinc/05/30/33/370053033.db2.gz JGRAVVVQOIMWPI-UHFFFAOYSA-N 2 2 284.404 0.230 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)N2CCC([NH3+])CC2)CCO1 ZINC000630343682 370053036 /nfs/dbraw/zinc/05/30/36/370053036.db2.gz JGRAVVVQOIMWPI-UHFFFAOYSA-N 2 2 284.404 0.230 20 0 CCADLP c1nc(N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(N2CCSCC2)[nH+]1 ZINC000630558540 370170394 /nfs/dbraw/zinc/17/03/94/370170394.db2.gz UZRXNOPIDOXPGU-TXEJJXNPSA-N 2 2 291.424 0.970 20 0 CCADLP c1cc(NC[C@H]2COCC[NH2+]2)nc(N2CCCCC2)[nH+]1 ZINC000630532418 370151392 /nfs/dbraw/zinc/15/13/92/370151392.db2.gz IUQYSLMZJKTVDI-LBPRGKRZSA-N 2 2 277.372 0.289 20 0 CCADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000631030589 370362872 /nfs/dbraw/zinc/36/28/72/370362872.db2.gz XAWUCZXMBGBZCI-ZDUSSCGKSA-N 2 2 295.431 0.992 20 0 CCADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)C1 ZINC000631045259 370367642 /nfs/dbraw/zinc/36/76/42/370367642.db2.gz TVKKXNPCBJJGNS-UONOGXRCSA-N 2 2 293.415 0.746 20 0 CCADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)C1 ZINC000631045259 370367648 /nfs/dbraw/zinc/36/76/48/370367648.db2.gz TVKKXNPCBJJGNS-UONOGXRCSA-N 2 2 293.415 0.746 20 0 CCADLP COc1cncc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)c1C ZINC000631054717 370369830 /nfs/dbraw/zinc/36/98/30/370369830.db2.gz UXHLZOWFADHZNM-UHFFFAOYSA-N 2 2 292.383 0.262 20 0 CCADLP COc1cncc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)c1C ZINC000631069988 370375183 /nfs/dbraw/zinc/37/51/83/370375183.db2.gz ZNXGHBMJGGYUAK-CQSZACIVSA-N 2 2 278.400 0.734 20 0 CCADLP COc1cncc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)c1C ZINC000631069988 370375185 /nfs/dbraw/zinc/37/51/85/370375185.db2.gz ZNXGHBMJGGYUAK-CQSZACIVSA-N 2 2 278.400 0.734 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccnn2CC2CCC2)C1 ZINC000631110406 370386605 /nfs/dbraw/zinc/38/66/05/370386605.db2.gz BFBOSALAVYNMMS-HNNXBMFYSA-N 2 2 278.400 0.839 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccnn2CC2CCC2)C1 ZINC000631110406 370386611 /nfs/dbraw/zinc/38/66/11/370386611.db2.gz BFBOSALAVYNMMS-HNNXBMFYSA-N 2 2 278.400 0.839 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccnn2CC2CCC2)C1 ZINC000631110413 370386671 /nfs/dbraw/zinc/38/66/71/370386671.db2.gz BFBOSALAVYNMMS-OAHLLOKOSA-N 2 2 278.400 0.839 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccnn2CC2CCC2)C1 ZINC000631110413 370386677 /nfs/dbraw/zinc/38/66/77/370386677.db2.gz BFBOSALAVYNMMS-OAHLLOKOSA-N 2 2 278.400 0.839 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]Cc1cncc(OC)c1C ZINC000631112572 370388591 /nfs/dbraw/zinc/38/85/91/370388591.db2.gz ANMHXZOSDFSOTR-UHFFFAOYSA-N 2 2 267.373 0.802 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]Cc1cncc(OC)c1C ZINC000631112572 370388597 /nfs/dbraw/zinc/38/85/97/370388597.db2.gz ANMHXZOSDFSOTR-UHFFFAOYSA-N 2 2 267.373 0.802 20 0 CCADLP Cc1nc(N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)nc(N)[nH+]1 ZINC000631166852 370409928 /nfs/dbraw/zinc/40/99/28/370409928.db2.gz BWXROTUXRQNGGL-RYUDHWBXSA-N 2 2 292.387 0.648 20 0 CCADLP CC[N@@H+]1C[C@@H](C)N(c2nc(C)[nH+]c(N)n2)C[C@H]1C ZINC000631187099 370415861 /nfs/dbraw/zinc/41/58/61/370415861.db2.gz YVBURKYIBFYSAX-RKDXNWHRSA-N 2 2 250.350 0.511 20 0 CCADLP CC[N@H+]1C[C@@H](C)N(c2nc(C)[nH+]c(N)n2)C[C@H]1C ZINC000631187099 370415865 /nfs/dbraw/zinc/41/58/65/370415865.db2.gz YVBURKYIBFYSAX-RKDXNWHRSA-N 2 2 250.350 0.511 20 0 CCADLP O[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000631200041 370418747 /nfs/dbraw/zinc/41/87/47/370418747.db2.gz ITGMGELYSKJHSX-WDEREUQCSA-N 2 2 282.306 0.753 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3CSC3)C2)CC1 ZINC000631258831 370442642 /nfs/dbraw/zinc/44/26/42/370442642.db2.gz YZAHFHIBDBZIRD-GFCCVEGCSA-N 2 2 283.441 0.634 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3CSC3)C2)CC1 ZINC000631258831 370442645 /nfs/dbraw/zinc/44/26/45/370442645.db2.gz YZAHFHIBDBZIRD-GFCCVEGCSA-N 2 2 283.441 0.634 20 0 CCADLP Cc1nc(N2CCC[C@@](O)(C[NH+](C)C)C2)cc[nH+]1 ZINC000631344165 370484614 /nfs/dbraw/zinc/48/46/14/370484614.db2.gz LGGWZCFMXLLPIZ-CYBMUJFWSA-N 2 2 250.346 0.678 20 0 CCADLP CN(CCCC[NH+](C)C)C(=O)C1([NH+]2CCOCC2)CC1 ZINC000631407282 370522230 /nfs/dbraw/zinc/52/22/30/370522230.db2.gz ZTBRXIXPZFJBQP-UHFFFAOYSA-N 2 2 283.416 0.651 20 0 CCADLP C[C@@H]1C[C@H](NS(=O)(=O)CCC[NH+](C)C)c2[nH+]ccn21 ZINC000632417858 371049998 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C[C@H]1C[N@H+](CCN(C)C2CC[NH+](CCO)CC2)CCO1 ZINC000337344191 214018335 /nfs/dbraw/zinc/01/83/35/214018335.db2.gz YPYUNZFWENVOQC-AWEZNQCLSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H]1C[N@@H+](CCN(C)C2CC[NH+](CCO)CC2)CCO1 ZINC000337344191 214018337 /nfs/dbraw/zinc/01/83/37/214018337.db2.gz YPYUNZFWENVOQC-AWEZNQCLSA-N 2 2 285.432 0.096 20 0 CCADLP C[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000634142422 371906115 /nfs/dbraw/zinc/90/61/15/371906115.db2.gz DDDXWCQSQPSCOD-QWRGUYRKSA-N 2 2 277.372 0.660 20 0 CCADLP C[N@H+]1CCC[C@H](NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000634142422 371906125 /nfs/dbraw/zinc/90/61/25/371906125.db2.gz DDDXWCQSQPSCOD-QWRGUYRKSA-N 2 2 277.372 0.660 20 0 CCADLP C[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000634142422 371906131 /nfs/dbraw/zinc/90/61/31/371906131.db2.gz DDDXWCQSQPSCOD-QWRGUYRKSA-N 2 2 277.372 0.660 20 0 CCADLP C[N@H+]1CCC[C@H](NC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000634142422 371906140 /nfs/dbraw/zinc/90/61/40/371906140.db2.gz DDDXWCQSQPSCOD-QWRGUYRKSA-N 2 2 277.372 0.660 20 0 CCADLP CC(C)C[C@@H]([NH3+])c1noc([C@@H](C)N2CC[NH2+]CC2=O)n1 ZINC000634555441 372080467 /nfs/dbraw/zinc/08/04/67/372080467.db2.gz KNEAYFBADKJQNI-NXEZZACHSA-N 2 2 281.360 0.608 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCO[C@H](C(F)F)CC1 ZINC000634758650 372205264 /nfs/dbraw/zinc/20/52/64/372205264.db2.gz SLKPSEZGGRKRIH-QWRGUYRKSA-N 2 2 266.332 0.655 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCO[C@H](C(F)F)CC1 ZINC000634758650 372205270 /nfs/dbraw/zinc/20/52/70/372205270.db2.gz SLKPSEZGGRKRIH-QWRGUYRKSA-N 2 2 266.332 0.655 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000634758650 372205276 /nfs/dbraw/zinc/20/52/76/372205276.db2.gz SLKPSEZGGRKRIH-QWRGUYRKSA-N 2 2 266.332 0.655 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000634758650 372205280 /nfs/dbraw/zinc/20/52/80/372205280.db2.gz SLKPSEZGGRKRIH-QWRGUYRKSA-N 2 2 266.332 0.655 20 0 CCADLP [NH3+][C@@H]1CCCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C1 ZINC000634807653 372247784 /nfs/dbraw/zinc/24/77/84/372247784.db2.gz WGCYUYRMLKNJDJ-QWHCGFSZSA-N 2 2 291.399 0.613 20 0 CCADLP C[C@@H]1C[C@H](Nc2cc(N3CCOCC3)nc[nH+]2)CC[NH2+]1 ZINC000634808634 372249159 /nfs/dbraw/zinc/24/91/59/372249159.db2.gz YDKYGPCEYPODAB-VXGBXAGGSA-N 2 2 277.372 0.866 20 0 CCADLP C[C@@H]1C[C@H](Nc2cc(N3CCOCC3)[nH+]cn2)CC[NH2+]1 ZINC000634808634 372249166 /nfs/dbraw/zinc/24/91/66/372249166.db2.gz YDKYGPCEYPODAB-VXGBXAGGSA-N 2 2 277.372 0.866 20 0 CCADLP C[C@H]([NH3+])CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000634810307 372253552 /nfs/dbraw/zinc/25/35/52/372253552.db2.gz SBSOGLNSNPRGGZ-QWRGUYRKSA-N 2 2 265.361 0.444 20 0 CCADLP CN(c1cc(-n2cccn2)nc(N)[nH+]1)[C@H](C[NH3+])C1CC1 ZINC000634811581 372257060 /nfs/dbraw/zinc/25/70/60/372257060.db2.gz JZCNPJSHQVVORM-SNVBAGLBSA-N 2 2 273.344 0.248 20 0 CCADLP CC(C)[C@@H](C[NH3+])C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000634993667 372328616 /nfs/dbraw/zinc/32/86/16/372328616.db2.gz BHVYMDJZRRRNRI-KBPBESRZSA-N 3 2 282.432 0.114 20 0 CCADLP CC(C)[C@@H](C[NH3+])C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000634993667 372328623 /nfs/dbraw/zinc/32/86/23/372328623.db2.gz BHVYMDJZRRRNRI-KBPBESRZSA-N 3 2 282.432 0.114 20 0 CCADLP c1cnc(N[C@H]2CC[N@@H+](CC34CC(C3)C[NH2+]4)C2)nc1 ZINC000634996403 372332897 /nfs/dbraw/zinc/33/28/97/372332897.db2.gz IULZSROSDFPYBX-LXVYMNJGSA-N 2 2 259.357 0.715 20 0 CCADLP c1cnc(N[C@H]2CC[N@H+](CC34CC(C3)C[NH2+]4)C2)nc1 ZINC000634996403 372332906 /nfs/dbraw/zinc/33/29/06/372332906.db2.gz IULZSROSDFPYBX-LXVYMNJGSA-N 2 2 259.357 0.715 20 0 CCADLP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000635003249 372339688 /nfs/dbraw/zinc/33/96/88/372339688.db2.gz BCXYRYAWOKGQRL-MXAVVETBSA-N 3 2 267.417 0.861 20 0 CCADLP C[C@H](C(=O)N1CC[NH+](Cc2ccccn2)CC1)[NH+](C)C ZINC000635157363 372399438 /nfs/dbraw/zinc/39/94/38/372399438.db2.gz PFYQXXZSVVFOAB-CYBMUJFWSA-N 2 2 276.384 0.676 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000635500215 372563364 /nfs/dbraw/zinc/56/33/64/372563364.db2.gz DIUSWHBHBZKVST-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000635500215 372563365 /nfs/dbraw/zinc/56/33/65/372563365.db2.gz DIUSWHBHBZKVST-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635500215 372563367 /nfs/dbraw/zinc/56/33/67/372563367.db2.gz DIUSWHBHBZKVST-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635500215 372563371 /nfs/dbraw/zinc/56/33/71/372563371.db2.gz DIUSWHBHBZKVST-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC000635501337 372564650 /nfs/dbraw/zinc/56/46/50/372564650.db2.gz OOAUHQGQGGXRFV-CQSZACIVSA-N 2 2 295.427 0.699 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC000635501337 372564655 /nfs/dbraw/zinc/56/46/55/372564655.db2.gz OOAUHQGQGGXRFV-CQSZACIVSA-N 2 2 295.427 0.699 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635537351 372601280 /nfs/dbraw/zinc/60/12/80/372601280.db2.gz AOQXDDXBXNOASR-UHFFFAOYSA-N 2 2 280.372 0.727 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000333136996 205060521 /nfs/dbraw/zinc/06/05/21/205060521.db2.gz CNAUABPMVUNAFT-CYBMUJFWSA-N 2 2 298.431 0.396 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000333136996 205060523 /nfs/dbraw/zinc/06/05/23/205060523.db2.gz CNAUABPMVUNAFT-CYBMUJFWSA-N 2 2 298.431 0.396 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000635692104 372770880 /nfs/dbraw/zinc/77/08/80/372770880.db2.gz CQVUECHZDZKOLH-KBPBESRZSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000635692104 372770881 /nfs/dbraw/zinc/77/08/81/372770881.db2.gz CQVUECHZDZKOLH-KBPBESRZSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)CC(C)(C)C ZINC000635701802 372784722 /nfs/dbraw/zinc/78/47/22/372784722.db2.gz WCKGMZOQNOHNQU-CQSZACIVSA-N 2 2 297.443 0.897 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)CC(C)(C)C ZINC000635701802 372784728 /nfs/dbraw/zinc/78/47/28/372784728.db2.gz WCKGMZOQNOHNQU-CQSZACIVSA-N 2 2 297.443 0.897 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000635713290 372802398 /nfs/dbraw/zinc/80/23/98/372802398.db2.gz BBJLQYNRMISWDD-QWHCGFSZSA-N 2 2 294.399 0.842 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000635713290 372802406 /nfs/dbraw/zinc/80/24/06/372802406.db2.gz BBJLQYNRMISWDD-QWHCGFSZSA-N 2 2 294.399 0.842 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000333239294 205144358 /nfs/dbraw/zinc/14/43/58/205144358.db2.gz DNKOQAPPJJIWDX-ZOBORPQBSA-N 2 2 256.390 0.894 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000635823849 372961028 /nfs/dbraw/zinc/96/10/28/372961028.db2.gz WOOJUVCRMPVZKH-CYBMUJFWSA-N 2 2 294.399 0.532 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000635823849 372961033 /nfs/dbraw/zinc/96/10/33/372961033.db2.gz WOOJUVCRMPVZKH-CYBMUJFWSA-N 2 2 294.399 0.532 20 0 CCADLP Cc1cn2ccc(C(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)cc2[nH+]1 ZINC000635948573 373145210 /nfs/dbraw/zinc/14/52/10/373145210.db2.gz PHFIUQSVCZPCPQ-STQMWFEESA-N 2 2 288.351 0.390 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000635991452 373216562 /nfs/dbraw/zinc/21/65/62/373216562.db2.gz NPONRRMKNZFSCS-MJBXVCDLSA-N 2 2 281.400 0.450 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000635991452 373216573 /nfs/dbraw/zinc/21/65/73/373216573.db2.gz NPONRRMKNZFSCS-MJBXVCDLSA-N 2 2 281.400 0.450 20 0 CCADLP C[NH+]1CCCC[C@H]1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000635991452 373216583 /nfs/dbraw/zinc/21/65/83/373216583.db2.gz NPONRRMKNZFSCS-MJBXVCDLSA-N 2 2 281.400 0.450 20 0 CCADLP C[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000635991452 373216592 /nfs/dbraw/zinc/21/65/92/373216592.db2.gz NPONRRMKNZFSCS-MJBXVCDLSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@H](C(=O)NC(C)(C)C[NH+]1CCOCC1)[NH+](C)C ZINC000636027205 373270004 /nfs/dbraw/zinc/27/00/04/373270004.db2.gz WCGCIJGXXRFTSI-LLVKDONJSA-N 2 2 257.378 0.164 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1coc(CO)c1 ZINC000636171961 373429374 /nfs/dbraw/zinc/42/93/74/373429374.db2.gz RBGJGDITORLSGA-UHFFFAOYSA-N 2 2 283.372 0.385 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1coc(CO)c1 ZINC000636171961 373429383 /nfs/dbraw/zinc/42/93/83/373429383.db2.gz RBGJGDITORLSGA-UHFFFAOYSA-N 2 2 283.372 0.385 20 0 CCADLP C[NH+]1CCC(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1 ZINC000636469047 373615561 /nfs/dbraw/zinc/61/55/61/373615561.db2.gz ZNJWPUJNSMYOGB-NSHDSACASA-N 2 2 263.345 0.201 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636589705 373661962 /nfs/dbraw/zinc/66/19/62/373661962.db2.gz NYQZIELFQPMTKT-QWRGUYRKSA-N 2 2 274.328 0.392 20 0 CCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636711025 373717874 /nfs/dbraw/zinc/71/78/74/373717874.db2.gz GLVFIJXDOVVRDD-VXGBXAGGSA-N 2 2 279.388 0.837 20 0 CCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636711025 373717879 /nfs/dbraw/zinc/71/78/79/373717879.db2.gz GLVFIJXDOVVRDD-VXGBXAGGSA-N 2 2 279.388 0.837 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636812547 373768617 /nfs/dbraw/zinc/76/86/17/373768617.db2.gz CNANGCYCDPYBKE-OLZOCXBDSA-N 2 2 289.383 0.591 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636812547 373768622 /nfs/dbraw/zinc/76/86/22/373768622.db2.gz CNANGCYCDPYBKE-OLZOCXBDSA-N 2 2 289.383 0.591 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000637807491 374337331 /nfs/dbraw/zinc/33/73/31/374337331.db2.gz ZAPUNSFNADNXLU-UHFFFAOYSA-N 2 2 287.367 0.952 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000637807491 374337334 /nfs/dbraw/zinc/33/73/34/374337334.db2.gz ZAPUNSFNADNXLU-UHFFFAOYSA-N 2 2 287.367 0.952 20 0 CCADLP C[NH2+]Cc1cccc(NC(=O)[C@H](C)N2CC[NH2+]CC2=O)c1 ZINC000637809041 374339109 /nfs/dbraw/zinc/33/91/09/374339109.db2.gz JUAFSABVYQQWSZ-NSHDSACASA-N 2 2 290.367 0.165 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N(C)[C@@H]1CC[NH2+]C1)CC2 ZINC000637834932 374380826 /nfs/dbraw/zinc/38/08/26/374380826.db2.gz BURGFJDIVXZEBV-VXGBXAGGSA-N 2 2 262.357 0.574 20 0 CCADLP CCc1c[nH]c(CC(=O)NC2(C[NH3+])CCCC2)[nH+]1 ZINC000637840081 374387646 /nfs/dbraw/zinc/38/76/46/374387646.db2.gz MVMNQCYXNZJZLM-UHFFFAOYSA-N 2 2 250.346 0.902 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)[nH+]1 ZINC000637849923 374405905 /nfs/dbraw/zinc/40/59/05/374405905.db2.gz SWAFDECHEBGVHQ-ONGXEEELSA-N 2 2 250.346 0.710 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccsc2)[C@@H](C[NH3+])C1 ZINC000637864794 374426763 /nfs/dbraw/zinc/42/67/63/374426763.db2.gz XTNWTNUCSDJXKN-RWMBFGLXSA-N 2 2 279.409 0.953 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccsc2)[C@@H](C[NH3+])C1 ZINC000637864794 374426767 /nfs/dbraw/zinc/42/67/67/374426767.db2.gz XTNWTNUCSDJXKN-RWMBFGLXSA-N 2 2 279.409 0.953 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000638060795 374606862 /nfs/dbraw/zinc/60/68/62/374606862.db2.gz RGKAAKBNQQSWJK-NSHDSACASA-N 2 2 260.341 0.991 20 0 CCADLP CC[NH2+][C@H](C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000638089435 374649380 /nfs/dbraw/zinc/64/93/80/374649380.db2.gz AAKXRRCCDIHHOY-LLVKDONJSA-N 2 2 257.378 0.211 20 0 CCADLP CC[NH2+][C@H](C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000638089435 374649383 /nfs/dbraw/zinc/64/93/83/374649383.db2.gz AAKXRRCCDIHHOY-LLVKDONJSA-N 2 2 257.378 0.211 20 0 CCADLP CO[C@H](C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)[C@@H]1CCOC1 ZINC000638090501 374650368 /nfs/dbraw/zinc/65/03/68/374650368.db2.gz XTVVGBLADYRKLY-REWJHTLYSA-N 2 2 254.374 0.722 20 0 CCADLP CO[C@H](C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)[C@@H]1CCOC1 ZINC000638090501 374650376 /nfs/dbraw/zinc/65/03/76/374650376.db2.gz XTVVGBLADYRKLY-REWJHTLYSA-N 2 2 254.374 0.722 20 0 CCADLP Cc1cn2cc(NC(=O)[C@@]3(C)C[NH2+]CCO3)ccc2[nH+]1 ZINC000638097607 374659585 /nfs/dbraw/zinc/65/95/85/374659585.db2.gz VWRUJCOTTPEPST-CQSZACIVSA-N 2 2 274.324 0.960 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000638102654 374668128 /nfs/dbraw/zinc/66/81/28/374668128.db2.gz VKNZJGHCEORXFA-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)[nH+]1 ZINC000638170677 374754992 /nfs/dbraw/zinc/75/49/92/374754992.db2.gz MDRAJEKVZCXWQA-CQSZACIVSA-N 2 2 262.357 0.727 20 0 CCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)Cc1[nH]c[nH+]c1C ZINC000638157808 374732526 /nfs/dbraw/zinc/73/25/26/374732526.db2.gz FEQZRSZSQISMCW-LLVKDONJSA-N 2 2 250.346 0.861 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)[nH+]1 ZINC000638201564 374783556 /nfs/dbraw/zinc/78/35/56/374783556.db2.gz MQFHQQIUODALDU-CMPLNLGQSA-N 2 2 262.357 0.725 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@H]2CC[NH2+]C[C@H]2C)[nH+]1 ZINC000638203673 374789507 /nfs/dbraw/zinc/78/95/07/374789507.db2.gz NJVFKQTYBWYNHT-KOLCDFICSA-N 2 2 250.346 0.629 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[NH2+]C[C@](C)(F)C1)CC2 ZINC000638253643 374849686 /nfs/dbraw/zinc/84/96/86/374849686.db2.gz PTXBBFFURBZODG-WFASDCNBSA-N 2 2 294.374 0.914 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H](C)[C@H](C)[NH3+])CC2 ZINC000638254012 374849940 /nfs/dbraw/zinc/84/99/40/374849940.db2.gz DYTPEOXOASMSHB-HBNTYKKESA-N 2 2 250.346 0.606 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N(C)C1CC([NH3+])C1)CC2 ZINC000638254446 374850622 /nfs/dbraw/zinc/85/06/22/374850622.db2.gz ALKARRBMDZYXQL-VOMCLLRMSA-N 2 2 262.357 0.702 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000638328733 374928181 /nfs/dbraw/zinc/92/81/81/374928181.db2.gz KIRKDIXGWNPOKZ-CQSZACIVSA-N 2 2 285.351 0.760 20 0 CCADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N(C)CCCn2cc[nH+]c2)C1 ZINC000638301962 374908111 /nfs/dbraw/zinc/90/81/11/374908111.db2.gz RAMOGYKGHKRRKK-GXTWGEPZSA-N 2 2 280.372 0.499 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC([NH3+])CC1 ZINC000568630398 291609483 /nfs/dbraw/zinc/60/94/83/291609483.db2.gz KEQPKVXOADYSMY-GJZGRUSLSA-N 3 2 263.385 0.340 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@H]([NH3+])C[C@H]2C)[nH+]1 ZINC000638398685 374993582 /nfs/dbraw/zinc/99/35/82/374993582.db2.gz WHKMPFZPMXCSAB-ZJUUUORDSA-N 2 2 250.346 0.853 20 0 CCADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNCc2c[nH+]c(N)nc2N)C1 ZINC000638409863 375006309 /nfs/dbraw/zinc/00/63/09/375006309.db2.gz QZYCUXFZOHKZCD-LLVKDONJSA-N 2 2 292.431 0.902 20 0 CCADLP C[C@@H]1CCC[N@H+](C(C)(C)CNCc2c[nH+]c(N)nc2N)C1 ZINC000638409863 375006316 /nfs/dbraw/zinc/00/63/16/375006316.db2.gz QZYCUXFZOHKZCD-LLVKDONJSA-N 2 2 292.431 0.902 20 0 CCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@@H]1CC1(F)F ZINC000638440056 375042167 /nfs/dbraw/zinc/04/21/67/375042167.db2.gz NNOBXGGHMFCKAE-UWVGGRQHSA-N 2 2 261.316 0.394 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)[nH+]1 ZINC000638433058 375033842 /nfs/dbraw/zinc/03/38/42/375033842.db2.gz VNRZOIGFCBTCST-NXEZZACHSA-N 2 2 254.309 0.412 20 0 CCADLP Cc1cccc2c1C[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)CO2 ZINC000638475528 375073252 /nfs/dbraw/zinc/07/32/52/375073252.db2.gz JZIJTYPPKZFLFM-OCCSQVGLSA-N 2 2 291.395 0.694 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C12CCC2)[C@H]1CC(F)(F)C[NH2+]1 ZINC000638505758 375095740 /nfs/dbraw/zinc/09/57/40/375095740.db2.gz NUGOZPBSLDTRAX-BDAKNGLRSA-N 2 2 259.300 0.384 20 0 CCADLP CCN(CC[NH3+])C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000638517243 375110057 /nfs/dbraw/zinc/11/00/57/375110057.db2.gz PKXKBOLVNUYFAP-UHFFFAOYSA-N 2 2 291.395 0.940 20 0 CCADLP C[NH+](C)CC[C@H]([NH2+]Cc1cnc(N)nc1N)C(C)(C)C ZINC000638602490 375183104 /nfs/dbraw/zinc/18/31/04/375183104.db2.gz CTHWCQHNGKWYLL-NSHDSACASA-N 2 2 280.420 0.758 20 0 CCADLP Cc1cc(NCCNC(=O)[C@@H]2CCC[NH2+]2)nc(C(C)C)[nH+]1 ZINC000638584580 375165092 /nfs/dbraw/zinc/16/50/92/375165092.db2.gz UATJLMHRSRCKMJ-LBPRGKRZSA-N 2 2 291.399 0.610 20 0 CCADLP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000638596114 375177575 /nfs/dbraw/zinc/17/75/75/375177575.db2.gz GZGGEMWQADCXPQ-HZSPNIEDSA-N 2 2 282.432 0.269 20 0 CCADLP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000638596114 375177581 /nfs/dbraw/zinc/17/75/81/375177581.db2.gz GZGGEMWQADCXPQ-HZSPNIEDSA-N 2 2 282.432 0.269 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C1([NH3+])CCCCC1 ZINC000638611970 375193363 /nfs/dbraw/zinc/19/33/63/375193363.db2.gz REDLTQSKLMHXLG-NSHDSACASA-N 2 2 255.362 0.095 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C1([NH3+])CCCCC1 ZINC000638611970 375193369 /nfs/dbraw/zinc/19/33/69/375193369.db2.gz REDLTQSKLMHXLG-NSHDSACASA-N 2 2 255.362 0.095 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000638611981 375193922 /nfs/dbraw/zinc/19/39/22/375193922.db2.gz RIUCUVIWANTZSX-AWEZNQCLSA-N 2 2 275.352 0.350 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000638611981 375193927 /nfs/dbraw/zinc/19/39/27/375193927.db2.gz RIUCUVIWANTZSX-AWEZNQCLSA-N 2 2 275.352 0.350 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000638613007 375196565 /nfs/dbraw/zinc/19/65/65/375196565.db2.gz ZTWBBMHQZDDLEB-MJBXVCDLSA-N 2 2 283.416 0.731 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000638613007 375196570 /nfs/dbraw/zinc/19/65/70/375196570.db2.gz ZTWBBMHQZDDLEB-MJBXVCDLSA-N 2 2 283.416 0.731 20 0 CCADLP CCOC(C)(C)C[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000568742929 291617767 /nfs/dbraw/zinc/61/77/67/291617767.db2.gz YAPYJRONFDQYIN-IHRRRGAJSA-N 2 2 288.432 0.861 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)CC2 ZINC000638900268 375438375 /nfs/dbraw/zinc/43/83/75/375438375.db2.gz GUZPVNFZLVFSNV-RAIGVLPGSA-N 2 2 276.384 0.807 20 0 CCADLP CO[C@]1(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)CCOC1 ZINC000638917876 375455656 /nfs/dbraw/zinc/45/56/56/375455656.db2.gz JUGTVJGADLUUIY-MCIONIFRSA-N 2 2 254.374 0.818 20 0 CCADLP CO[C@]1(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)CCOC1 ZINC000638917876 375455662 /nfs/dbraw/zinc/45/56/62/375455662.db2.gz JUGTVJGADLUUIY-MCIONIFRSA-N 2 2 254.374 0.818 20 0 CCADLP CO[C@]1(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)CCOC1 ZINC000638917876 375455666 /nfs/dbraw/zinc/45/56/66/375455666.db2.gz JUGTVJGADLUUIY-MCIONIFRSA-N 2 2 254.374 0.818 20 0 CCADLP CO[C@]1(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)CCOC1 ZINC000638917876 375455670 /nfs/dbraw/zinc/45/56/70/375455670.db2.gz JUGTVJGADLUUIY-MCIONIFRSA-N 2 2 254.374 0.818 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638984839 375498401 /nfs/dbraw/zinc/49/84/01/375498401.db2.gz TVQRAPONLVORLL-FZMZJTMJSA-N 3 2 291.399 0.803 20 0 CCADLP COc1ccc(CCNC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1O ZINC000639045883 375544183 /nfs/dbraw/zinc/54/41/83/375544183.db2.gz DPPPTLIGXYOYSR-GFCCVEGCSA-N 2 2 295.383 0.339 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccnn1CC1CCC1 ZINC000639003938 375513112 /nfs/dbraw/zinc/51/31/12/375513112.db2.gz CPNMXJMDKSJALQ-LBPRGKRZSA-N 2 2 279.388 0.901 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639018910 375522711 /nfs/dbraw/zinc/52/27/11/375522711.db2.gz ABWZVBDSWHWLHO-DGCLKSJQSA-N 2 2 262.357 0.861 20 0 CCADLP CC[N@H+](CCO)CC[NH2+][C@H](C)Cc1cnccn1 ZINC000639051869 375549211 /nfs/dbraw/zinc/54/92/11/375549211.db2.gz AJQLCPARDHSXTL-GFCCVEGCSA-N 2 2 252.362 0.311 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+][C@H](C)Cc1cnccn1 ZINC000639051869 375549214 /nfs/dbraw/zinc/54/92/14/375549214.db2.gz AJQLCPARDHSXTL-GFCCVEGCSA-N 2 2 252.362 0.311 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]C[C@@H](OC)C1CCOCC1 ZINC000639055483 375551763 /nfs/dbraw/zinc/55/17/63/375551763.db2.gz XNHWTTNQZFGWDY-CQSZACIVSA-N 2 2 274.405 0.332 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]C[C@@H](OC)C1CCOCC1 ZINC000639055483 375551771 /nfs/dbraw/zinc/55/17/71/375551771.db2.gz XNHWTTNQZFGWDY-CQSZACIVSA-N 2 2 274.405 0.332 20 0 CCADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ncnn2C)CCCO1 ZINC000639115287 375583512 /nfs/dbraw/zinc/58/35/12/375583512.db2.gz AOPYYEHBPPGITF-GFCCVEGCSA-N 2 2 267.377 0.406 20 0 CCADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ncnn2C)CCCO1 ZINC000639115287 375583518 /nfs/dbraw/zinc/58/35/18/375583518.db2.gz AOPYYEHBPPGITF-GFCCVEGCSA-N 2 2 267.377 0.406 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cnc(N)nc2N)C1 ZINC000639176893 375621356 /nfs/dbraw/zinc/62/13/56/375621356.db2.gz MHFJTDYPQIKWLD-SECBINFHSA-N 2 2 273.344 0.025 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cnc(N)nc2N)C1 ZINC000639176893 375621361 /nfs/dbraw/zinc/62/13/61/375621361.db2.gz MHFJTDYPQIKWLD-SECBINFHSA-N 2 2 273.344 0.025 20 0 CCADLP C[C@H](Cc1cnccn1)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000639218916 375641348 /nfs/dbraw/zinc/64/13/48/375641348.db2.gz QDNWICNSORDOPB-UKRRQHHQSA-N 2 2 278.400 0.844 20 0 CCADLP C[C@H](Cc1cnccn1)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000639218916 375641354 /nfs/dbraw/zinc/64/13/54/375641354.db2.gz QDNWICNSORDOPB-UKRRQHHQSA-N 2 2 278.400 0.844 20 0 CCADLP CC[C@H]1C[N@H+](CC)CCN1Cc1c[nH+]c(N)nc1N ZINC000639251448 375665656 /nfs/dbraw/zinc/66/56/56/375665656.db2.gz XYXZNMMVXCPLAU-NSHDSACASA-N 2 2 264.377 0.218 20 0 CCADLP CC[C@H]1C[N@@H+](CC)CCN1Cc1c[nH+]c(N)nc1N ZINC000639251448 375665660 /nfs/dbraw/zinc/66/56/60/375665660.db2.gz XYXZNMMVXCPLAU-NSHDSACASA-N 2 2 264.377 0.218 20 0 CCADLP Cc1ccc2[nH+]cc(CN3CC[N@@H+](C)C[C@H]3CO)n2c1 ZINC000639335919 375735800 /nfs/dbraw/zinc/73/58/00/375735800.db2.gz BPIOSQAPEWQRJA-AWEZNQCLSA-N 2 2 274.368 0.751 20 0 CCADLP Cc1ccc2[nH+]cc(CN3CC[N@H+](C)C[C@H]3CO)n2c1 ZINC000639335919 375735804 /nfs/dbraw/zinc/73/58/04/375735804.db2.gz BPIOSQAPEWQRJA-AWEZNQCLSA-N 2 2 274.368 0.751 20 0 CCADLP COCC1(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CCC1 ZINC000639348391 375748004 /nfs/dbraw/zinc/74/80/04/375748004.db2.gz GLEZSGRXNYRVSZ-ZDUSSCGKSA-N 2 2 283.416 0.733 20 0 CCADLP COCC1(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CCC1 ZINC000639348391 375748010 /nfs/dbraw/zinc/74/80/10/375748010.db2.gz GLEZSGRXNYRVSZ-ZDUSSCGKSA-N 2 2 283.416 0.733 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCN(C(=O)c2ccccn2)CC1 ZINC000639522325 375822239 /nfs/dbraw/zinc/82/22/39/375822239.db2.gz NBNZTLYNTJGSNO-UHFFFAOYSA-N 2 2 299.378 0.816 20 0 CCADLP COCC[N@H+](CCc1c[nH+]cn1C)Cc1ccnn1C ZINC000639615892 375861456 /nfs/dbraw/zinc/86/14/56/375861456.db2.gz UFOSDXAZUIRJQG-UHFFFAOYSA-N 2 2 277.372 0.845 20 0 CCADLP COCC[N@@H+](CCc1c[nH+]cn1C)Cc1ccnn1C ZINC000639615892 375861461 /nfs/dbraw/zinc/86/14/61/375861461.db2.gz UFOSDXAZUIRJQG-UHFFFAOYSA-N 2 2 277.372 0.845 20 0 CCADLP C[C@H]1C[N@@H+](CCc2c[nH+]cn2C)C[C@@]2(CCOC2)O1 ZINC000639621426 375866079 /nfs/dbraw/zinc/86/60/79/375866079.db2.gz TWEKTZXYCNZVPH-GXTWGEPZSA-N 2 2 265.357 0.842 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(CC(F)(F)CO)CC1 ZINC000639737826 375964257 /nfs/dbraw/zinc/96/42/57/375964257.db2.gz JXLLHZBPAGXBMG-CYBMUJFWSA-N 2 2 291.386 0.716 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(CC(F)(F)CO)CC1 ZINC000639737826 375964260 /nfs/dbraw/zinc/96/42/60/375964260.db2.gz JXLLHZBPAGXBMG-CYBMUJFWSA-N 2 2 291.386 0.716 20 0 CCADLP C[N@@H+]1CCN(C[C@H](O)C[NH+]2CCOCC2)C[C@H]1C(C)(C)C ZINC000639751647 375978035 /nfs/dbraw/zinc/97/80/35/375978035.db2.gz RQDBRYGGNYMXLV-CABCVRRESA-N 2 2 299.459 0.342 20 0 CCADLP C[N@H+]1CCN(C[C@H](O)C[NH+]2CCOCC2)C[C@H]1C(C)(C)C ZINC000639751647 375978041 /nfs/dbraw/zinc/97/80/41/375978041.db2.gz RQDBRYGGNYMXLV-CABCVRRESA-N 2 2 299.459 0.342 20 0 CCADLP C[C@@H](C(=O)N1CCCCC1)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639768433 376000097 /nfs/dbraw/zinc/00/00/97/376000097.db2.gz YWTMEJOUPJZDCR-HOCLYGCPSA-N 2 2 297.443 0.776 20 0 CCADLP C[C@@H](C(=O)N1CCCCC1)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639768433 376000103 /nfs/dbraw/zinc/00/01/03/376000103.db2.gz YWTMEJOUPJZDCR-HOCLYGCPSA-N 2 2 297.443 0.776 20 0 CCADLP C[C@@H](CN1CCOCC1)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762212 375987157 /nfs/dbraw/zinc/98/71/57/375987157.db2.gz HLYDJWWTTGEUOR-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H](CN1CCOCC1)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762212 375987162 /nfs/dbraw/zinc/98/71/62/375987162.db2.gz HLYDJWWTTGEUOR-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762212 375987166 /nfs/dbraw/zinc/98/71/66/375987166.db2.gz HLYDJWWTTGEUOR-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP Cn1ccc(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)cc1=O ZINC000639762561 375987997 /nfs/dbraw/zinc/98/79/97/375987997.db2.gz NLMBVDWSTTUFGC-HNNXBMFYSA-N 2 2 279.384 0.274 20 0 CCADLP Cn1ccc(C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)cc1=O ZINC000639762561 375988003 /nfs/dbraw/zinc/98/80/03/375988003.db2.gz NLMBVDWSTTUFGC-HNNXBMFYSA-N 2 2 279.384 0.274 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCO[C@H](Cn2ccnn2)C1 ZINC000639858350 376087723 /nfs/dbraw/zinc/08/77/23/376087723.db2.gz RZYCYTZABUVDAZ-KGLIPLIRSA-N 2 2 279.388 0.463 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCO[C@H](Cn2ccnn2)C1 ZINC000639858350 376087725 /nfs/dbraw/zinc/08/77/25/376087725.db2.gz RZYCYTZABUVDAZ-KGLIPLIRSA-N 2 2 279.388 0.463 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000639858350 376087726 /nfs/dbraw/zinc/08/77/26/376087726.db2.gz RZYCYTZABUVDAZ-KGLIPLIRSA-N 2 2 279.388 0.463 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000639858350 376087727 /nfs/dbraw/zinc/08/77/27/376087727.db2.gz RZYCYTZABUVDAZ-KGLIPLIRSA-N 2 2 279.388 0.463 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(CCF)CC1 ZINC000639989961 376170546 /nfs/dbraw/zinc/17/05/46/376170546.db2.gz RDPYFWAWOWZPCL-CQSZACIVSA-N 2 2 276.396 0.997 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CCF)CC1 ZINC000639989961 376170553 /nfs/dbraw/zinc/17/05/53/376170553.db2.gz RDPYFWAWOWZPCL-CQSZACIVSA-N 2 2 276.396 0.997 20 0 CCADLP CO[C@@H]1C[N@H+](Cc2cc[nH+]c(N)c2)[C@@](C)(CO)C1 ZINC000640000574 376179861 /nfs/dbraw/zinc/17/98/61/376179861.db2.gz NXVOLBNISLYINQ-WCQYABFASA-N 2 2 251.330 0.466 20 0 CCADLP CO[C@@H]1C[N@@H+](Cc2cc[nH+]c(N)c2)[C@@](C)(CO)C1 ZINC000640000574 376179868 /nfs/dbraw/zinc/17/98/68/376179868.db2.gz NXVOLBNISLYINQ-WCQYABFASA-N 2 2 251.330 0.466 20 0 CCADLP C[N@H+](CCOCC1CCCC1)CC(=O)N1CC[NH+](C)CC1 ZINC000640050979 376215926 /nfs/dbraw/zinc/21/59/26/376215926.db2.gz BMLSCQLUSYZSTC-UHFFFAOYSA-N 2 2 297.443 0.899 20 0 CCADLP C[N@@H+](CCOCC1CCCC1)CC(=O)N1CC[NH+](C)CC1 ZINC000640050979 376215932 /nfs/dbraw/zinc/21/59/32/376215932.db2.gz BMLSCQLUSYZSTC-UHFFFAOYSA-N 2 2 297.443 0.899 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCC[C@H](O)C1 ZINC000640051782 376218766 /nfs/dbraw/zinc/21/87/66/376218766.db2.gz ZTHAUJZCMXRSFG-KBPBESRZSA-N 2 2 283.416 0.243 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCC[C@H](O)C1 ZINC000640051782 376218772 /nfs/dbraw/zinc/21/87/72/376218772.db2.gz ZTHAUJZCMXRSFG-KBPBESRZSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@@H]1OCC[C@@H]1C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640060396 376222556 /nfs/dbraw/zinc/22/25/56/376222556.db2.gz IVDHXICZAROECX-QWHCGFSZSA-N 2 2 269.389 0.117 20 0 CCADLP C[C@@H]1OCC[C@@H]1C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640060396 376222568 /nfs/dbraw/zinc/22/25/68/376222568.db2.gz IVDHXICZAROECX-QWHCGFSZSA-N 2 2 269.389 0.117 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C)[C@H]1CO ZINC000640058253 376223361 /nfs/dbraw/zinc/22/33/61/376223361.db2.gz AVWXLPQJOHEALE-MGPQQGTHSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C)[C@H]1CO ZINC000640058253 376223367 /nfs/dbraw/zinc/22/33/67/376223367.db2.gz AVWXLPQJOHEALE-MGPQQGTHSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](C)[C@H]1CO ZINC000640058253 376223375 /nfs/dbraw/zinc/22/33/75/376223375.db2.gz AVWXLPQJOHEALE-MGPQQGTHSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](C)[C@H]1CO ZINC000640058253 376223379 /nfs/dbraw/zinc/22/33/79/376223379.db2.gz AVWXLPQJOHEALE-MGPQQGTHSA-N 2 2 274.405 0.018 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000640304472 376301606 /nfs/dbraw/zinc/30/16/06/376301606.db2.gz JLWKGENZRBNWDA-MRVWCRGKSA-N 2 2 296.415 0.228 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)[NH+]1CC(C)C1 ZINC000574649103 335037029 /nfs/dbraw/zinc/03/70/29/335037029.db2.gz VBQIUTQAMAIVTK-KGLIPLIRSA-N 2 2 297.443 0.630 20 0 CCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)C2([NH3+])CC2)C1 ZINC000334327164 206374706 /nfs/dbraw/zinc/37/47/06/206374706.db2.gz LRBZHHAZTKVKON-LLVKDONJSA-N 2 2 262.357 0.693 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC=C(C(F)(F)F)CC2)CC1 ZINC000334339008 206393418 /nfs/dbraw/zinc/39/34/18/206393418.db2.gz ZZXZOAQGBIDLOO-UHFFFAOYSA-N 2 2 291.317 0.955 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC=C(C(F)(F)F)CC2)CC1 ZINC000334339008 206393423 /nfs/dbraw/zinc/39/34/23/206393423.db2.gz ZZXZOAQGBIDLOO-UHFFFAOYSA-N 2 2 291.317 0.955 20 0 CCADLP CC[NH+](CC)Cc1cn(Cc2cc[nH+]c(N)c2)nn1 ZINC000641068832 376736899 /nfs/dbraw/zinc/73/68/99/376736899.db2.gz UGTRIHRVFYNHCY-UHFFFAOYSA-N 2 2 260.345 0.976 20 0 CCADLP COc1cc[nH+]cc1Cn1cc([C@H]([NH3+])[C@H]2CCCO2)nn1 ZINC000641168312 376836366 /nfs/dbraw/zinc/83/63/66/376836366.db2.gz GJZIAULNJXCYCH-KGLIPLIRSA-N 2 2 289.339 0.909 20 0 CCADLP CC[NH+](CC)[C@H](C)CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641275418 376960061 /nfs/dbraw/zinc/96/00/61/376960061.db2.gz QWRQTYXXBPXFKC-GFCCVEGCSA-N 2 2 288.417 0.533 20 0 CCADLP CN(CCCC[NH+](C)C)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641368901 377042190 /nfs/dbraw/zinc/04/21/90/377042190.db2.gz YLCDHJWTCPIQRV-UHFFFAOYSA-N 2 2 288.417 0.487 20 0 CCADLP CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641317975 376991097 /nfs/dbraw/zinc/99/10/97/376991097.db2.gz DMTRHTLTAXCMGD-GFCCVEGCSA-N 2 2 288.417 0.533 20 0 CCADLP CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641317975 376991102 /nfs/dbraw/zinc/99/11/02/376991102.db2.gz DMTRHTLTAXCMGD-GFCCVEGCSA-N 2 2 288.417 0.533 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc[nH+]cc2F)CC1 ZINC000641443625 377122678 /nfs/dbraw/zinc/12/26/78/377122678.db2.gz KGOLRTGKZJABSO-AWEZNQCLSA-N 2 2 292.358 0.964 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc[nH+]cc2F)CC1 ZINC000641443625 377122686 /nfs/dbraw/zinc/12/26/86/377122686.db2.gz KGOLRTGKZJABSO-AWEZNQCLSA-N 2 2 292.358 0.964 20 0 CCADLP CCC(F)(F)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000641797193 377465497 /nfs/dbraw/zinc/46/54/97/377465497.db2.gz XNHFEEYLCQEQLG-SNVBAGLBSA-N 2 2 263.332 0.819 20 0 CCADLP CCC(F)(F)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000641797193 377465506 /nfs/dbraw/zinc/46/55/06/377465506.db2.gz XNHFEEYLCQEQLG-SNVBAGLBSA-N 2 2 263.332 0.819 20 0 CCADLP CC1(C)[C@H]([NH2+]Cc2cc(=O)n3ccsc3n2)C[C@@H]1[NH3+] ZINC000641805999 377478322 /nfs/dbraw/zinc/47/83/22/377478322.db2.gz PRRVCCYUVUAAPY-VHSXEESVSA-N 2 2 278.381 0.971 20 0 CCADLP COc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cn1 ZINC000422965864 249012333 /nfs/dbraw/zinc/01/23/33/249012333.db2.gz PXLKCPCVAYULCV-HIFRSBDPSA-N 2 2 277.368 0.947 20 0 CCADLP Cc1cc(C)c(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c(=O)[nH]1 ZINC000641915611 377521136 /nfs/dbraw/zinc/52/11/36/377521136.db2.gz KFYPANRLAHSFRP-CYBMUJFWSA-N 2 2 279.384 0.950 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000492765523 249084371 /nfs/dbraw/zinc/08/43/71/249084371.db2.gz LXHJDCDJSXXLKF-CJHWANRJSA-N 2 2 271.324 0.998 20 0 CCADLP C[C@H](CC(=O)NCCNc1cc[nH+]cc1)n1cc[nH+]c1 ZINC000514794431 249105493 /nfs/dbraw/zinc/10/54/93/249105493.db2.gz KGIJDBCWYYRAJS-GFCCVEGCSA-N 2 2 273.340 0.879 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]Cc2ccn(C)c2)C[C@H](C)O1 ZINC000515467227 249135658 /nfs/dbraw/zinc/13/56/58/249135658.db2.gz UBZMGNZRYPLLOT-VNHYZAJKSA-N 2 2 281.400 0.585 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]Cc2ccn(C)c2)C[C@H](C)O1 ZINC000515467227 249135659 /nfs/dbraw/zinc/13/56/59/249135659.db2.gz UBZMGNZRYPLLOT-VNHYZAJKSA-N 2 2 281.400 0.585 20 0 CCADLP C[C@H]1C[N@H+](CCN2CC[NH+](C)C(C)(C)C2)CCO1 ZINC000515864808 249146903 /nfs/dbraw/zinc/14/69/03/249146903.db2.gz OGJRMOBRWUAWSW-ZDUSSCGKSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@H]1C[N@@H+](CCN2CC[NH+](C)C(C)(C)C2)CCO1 ZINC000515864808 249146904 /nfs/dbraw/zinc/14/69/04/249146904.db2.gz OGJRMOBRWUAWSW-ZDUSSCGKSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@H]1C[NH+](CCN2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC000515864808 249146907 /nfs/dbraw/zinc/14/69/07/249146907.db2.gz OGJRMOBRWUAWSW-ZDUSSCGKSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@H]1C[NH+](CCN2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC000515864808 249146908 /nfs/dbraw/zinc/14/69/08/249146908.db2.gz OGJRMOBRWUAWSW-ZDUSSCGKSA-N 2 2 255.406 0.733 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+]C(C)(C)C(=O)NCC1CCCC1 ZINC000516487873 249166750 /nfs/dbraw/zinc/16/67/50/249166750.db2.gz AIXRBAQWVLVMAX-CQSZACIVSA-N 2 2 299.459 0.974 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)C(=O)NCC1CCCC1 ZINC000516487873 249166752 /nfs/dbraw/zinc/16/67/52/249166752.db2.gz AIXRBAQWVLVMAX-CQSZACIVSA-N 2 2 299.459 0.974 20 0 CCADLP C[C@@H]([NH3+])C1CCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000517935909 249234790 /nfs/dbraw/zinc/23/47/90/249234790.db2.gz HKDXYQYHBUGKBE-OLZOCXBDSA-N 2 2 282.432 0.208 20 0 CCADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000517932362 249234903 /nfs/dbraw/zinc/23/49/03/249234903.db2.gz LDQUUQFHNKEAPO-OLZOCXBDSA-N 2 2 297.399 0.130 20 0 CCADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000517932362 249234906 /nfs/dbraw/zinc/23/49/06/249234906.db2.gz LDQUUQFHNKEAPO-OLZOCXBDSA-N 2 2 297.399 0.130 20 0 CCADLP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000517377564 249217553 /nfs/dbraw/zinc/21/75/53/249217553.db2.gz KAKUDHHLVFOFMZ-KOLCDFICSA-N 2 2 268.386 0.601 20 0 CCADLP C[C@@H]1NC(=O)N(CC[N@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)C1=O ZINC000517755183 249230168 /nfs/dbraw/zinc/23/01/68/249230168.db2.gz PWQPRHNBNHQCFJ-SDDRHHMPSA-N 2 2 280.372 0.095 20 0 CCADLP C[C@@H]1NC(=O)N(CC[N@@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)C1=O ZINC000517755183 249230170 /nfs/dbraw/zinc/23/01/70/249230170.db2.gz PWQPRHNBNHQCFJ-SDDRHHMPSA-N 2 2 280.372 0.095 20 0 CCADLP C[C@@H]1NC(=O)N(CC[NH+]2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)C1=O ZINC000517755183 249230172 /nfs/dbraw/zinc/23/01/72/249230172.db2.gz PWQPRHNBNHQCFJ-SDDRHHMPSA-N 2 2 280.372 0.095 20 0 CCADLP C[C@@H]1NC(=O)N(CC[NH+]2[C@@H]3CC[C@H]2CC[N@H+](C)C3)C1=O ZINC000517755183 249230174 /nfs/dbraw/zinc/23/01/74/249230174.db2.gz PWQPRHNBNHQCFJ-SDDRHHMPSA-N 2 2 280.372 0.095 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]([NH3+])c1cscn1)[NH+]1CCCC1 ZINC000517932553 249234310 /nfs/dbraw/zinc/23/43/10/249234310.db2.gz NGPKMPYNKQVMSH-ONGXEEELSA-N 2 2 268.386 0.743 20 0 CCADLP [NH3+]C[C@H]([NH2+]CC(=O)Nc1ccon1)C1CCCCC1 ZINC000643078009 377712929 /nfs/dbraw/zinc/71/29/29/377712929.db2.gz JQWHYQJKYCOTQL-NSHDSACASA-N 2 2 266.345 0.532 20 0 CCADLP CN(C[C@H]1CCC[N@@H+]1C)c1nc[nH+]c2c1OCCN2 ZINC000643197884 377728635 /nfs/dbraw/zinc/72/86/35/377728635.db2.gz PYPQMTXTUGEEFU-SNVBAGLBSA-N 2 2 263.345 0.811 20 0 CCADLP CN(C[C@H]1CCC[N@H+]1C)c1nc[nH+]c2c1OCCN2 ZINC000643197884 377728639 /nfs/dbraw/zinc/72/86/39/377728639.db2.gz PYPQMTXTUGEEFU-SNVBAGLBSA-N 2 2 263.345 0.811 20 0 CCADLP CCNC(=O)C[N@H+](C)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000643057185 377709515 /nfs/dbraw/zinc/70/95/15/377709515.db2.gz VQJGOKJIBDXDPJ-CYBMUJFWSA-N 2 2 279.384 0.805 20 0 CCADLP CCNC(=O)C[N@@H+](C)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000643057185 377709527 /nfs/dbraw/zinc/70/95/27/377709527.db2.gz VQJGOKJIBDXDPJ-CYBMUJFWSA-N 2 2 279.384 0.805 20 0 CCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)C1(C)CC1 ZINC000657070953 412883299 /nfs/dbraw/zinc/88/32/99/412883299.db2.gz BTFZUWIDCXGEBD-LBPRGKRZSA-N 2 2 291.461 0.730 20 0 CCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)C1(C)CC1 ZINC000657070953 412883301 /nfs/dbraw/zinc/88/33/01/412883301.db2.gz BTFZUWIDCXGEBD-LBPRGKRZSA-N 2 2 291.461 0.730 20 0 CCADLP CCCS(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000657071735 412882662 /nfs/dbraw/zinc/88/26/62/412882662.db2.gz TZJQSVNMVZBLBG-LBPRGKRZSA-N 2 2 279.450 0.588 20 0 CCADLP CCCS(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000657071735 412882666 /nfs/dbraw/zinc/88/26/66/412882666.db2.gz TZJQSVNMVZBLBG-LBPRGKRZSA-N 2 2 279.450 0.588 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000574694317 335040501 /nfs/dbraw/zinc/04/05/01/335040501.db2.gz KREDYINFZXJSSW-KGLIPLIRSA-N 3 2 296.459 0.504 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000574694317 335040502 /nfs/dbraw/zinc/04/05/02/335040502.db2.gz KREDYINFZXJSSW-KGLIPLIRSA-N 3 2 296.459 0.504 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)CCC1CC1 ZINC000657093024 412886859 /nfs/dbraw/zinc/88/68/59/412886859.db2.gz WMDJMEZCRFJGAY-UHFFFAOYSA-N 2 2 291.461 0.589 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)CCC1CC1 ZINC000657093024 412886860 /nfs/dbraw/zinc/88/68/60/412886860.db2.gz WMDJMEZCRFJGAY-UHFFFAOYSA-N 2 2 291.461 0.589 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(CO)o1 ZINC000266203538 190240038 /nfs/dbraw/zinc/24/00/38/190240038.db2.gz LXHDFTSKGIZCCG-ZDUSSCGKSA-N 2 2 281.356 0.201 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(CO)o1 ZINC000266203538 190240039 /nfs/dbraw/zinc/24/00/39/190240039.db2.gz LXHDFTSKGIZCCG-ZDUSSCGKSA-N 2 2 281.356 0.201 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000278592446 194059510 /nfs/dbraw/zinc/05/95/10/194059510.db2.gz KOFFXNGLGWRUKX-VXGBXAGGSA-N 2 2 294.399 0.876 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000278592446 194059511 /nfs/dbraw/zinc/05/95/11/194059511.db2.gz KOFFXNGLGWRUKX-VXGBXAGGSA-N 2 2 294.399 0.876 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000278867899 194189685 /nfs/dbraw/zinc/18/96/85/194189685.db2.gz MUIPQHMAYZWGAG-UHFFFAOYSA-N 2 2 288.355 0.343 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000279353443 194396748 /nfs/dbraw/zinc/39/67/48/194396748.db2.gz FLYOEYPKWKZFMF-LLVKDONJSA-N 2 2 250.346 0.813 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000279353443 194396751 /nfs/dbraw/zinc/39/67/51/194396751.db2.gz FLYOEYPKWKZFMF-LLVKDONJSA-N 2 2 250.346 0.813 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000163957300 284903882 /nfs/dbraw/zinc/90/38/82/284903882.db2.gz BHKVOVJAQWAFFO-LLVKDONJSA-N 2 2 264.435 0.987 20 0 CCADLP COC[C@@H](O)C[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000341092180 274044969 /nfs/dbraw/zinc/04/49/69/274044969.db2.gz SELNKEKQBOXBCS-ZDUSSCGKSA-N 2 2 265.357 0.519 20 0 CCADLP CCn1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)n1 ZINC000571073211 291789237 /nfs/dbraw/zinc/78/92/37/291789237.db2.gz GLUCSFASKYSHIO-ZIAGYGMSSA-N 2 2 264.373 0.760 20 0 CCADLP C[NH2+][C@@H](C)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000571224520 291800337 /nfs/dbraw/zinc/80/03/37/291800337.db2.gz ALHUQROUVWBKPV-RYUDHWBXSA-N 2 2 257.378 0.067 20 0 CCADLP C[N@@H+]1CCCN(CCC[NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657349432 412966173 /nfs/dbraw/zinc/96/61/73/412966173.db2.gz GOQAIEAJIUBWKB-UHFFFAOYSA-N 3 2 291.443 0.947 20 0 CCADLP C[N@H+]1CCCN(CCC[NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657349432 412966180 /nfs/dbraw/zinc/96/61/80/412966180.db2.gz GOQAIEAJIUBWKB-UHFFFAOYSA-N 3 2 291.443 0.947 20 0 CCADLP C[C@]1(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)CC[NH2+]C1 ZINC000335283708 208099857 /nfs/dbraw/zinc/09/98/57/208099857.db2.gz PQMGQKHIDVIYBB-KOLCDFICSA-N 2 2 261.316 0.347 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(CC[NH+]2CCOC[C@H]2C)[C@@H](C)C1 ZINC000249273992 285106969 /nfs/dbraw/zinc/10/69/69/285106969.db2.gz KJJYVOAVOWFXND-ZNMIVQPWSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(CC[NH+]2CCOC[C@H]2C)[C@@H](C)C1 ZINC000249273992 285106971 /nfs/dbraw/zinc/10/69/71/285106971.db2.gz KJJYVOAVOWFXND-ZNMIVQPWSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@H](O)C[NH+]1CCN(CC[N@@H+]2CCOC[C@H]2C)[C@@H](C)C1 ZINC000249273992 285106972 /nfs/dbraw/zinc/10/69/72/285106972.db2.gz KJJYVOAVOWFXND-ZNMIVQPWSA-N 2 2 285.432 0.094 20 0 CCADLP O=C(C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)NCC1CC1 ZINC000657429284 412987759 /nfs/dbraw/zinc/98/77/59/412987759.db2.gz GAWZTDFBQZCFIM-UHFFFAOYSA-N 2 2 285.351 0.883 20 0 CCADLP CC[N@H+](CCO)CCNCc1c[nH+]c2n1CCC2 ZINC000657438683 412992116 /nfs/dbraw/zinc/99/21/16/412992116.db2.gz UOPIXSIJFZMMKL-UHFFFAOYSA-N 2 2 252.362 0.233 20 0 CCADLP CC[N@@H+](CCO)CCNCc1c[nH+]c2n1CCC2 ZINC000657438683 412992121 /nfs/dbraw/zinc/99/21/21/412992121.db2.gz UOPIXSIJFZMMKL-UHFFFAOYSA-N 2 2 252.362 0.233 20 0 CCADLP COCC(C)(C)[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000425354158 533097385 /nfs/dbraw/zinc/09/73/85/533097385.db2.gz RDNFTQOUQHYWAH-UHFFFAOYSA-N 2 2 252.362 0.952 20 0 CCADLP COCC(C)(C)[NH+]1CCN(C(=O)c2coc(C[NH3+])c2)CC1 ZINC000424214190 533094750 /nfs/dbraw/zinc/09/47/50/533094750.db2.gz BUSOZFPEGHCHHD-UHFFFAOYSA-N 2 2 295.383 0.921 20 0 CCADLP Cc1[nH+]c2c(n1C[C@@H](O)C[NH+]1CCOCC1)CCCC2 ZINC000312149928 285174725 /nfs/dbraw/zinc/17/47/25/285174725.db2.gz IJWVYODHTSNVRC-ZDUSSCGKSA-N 2 2 279.384 0.763 20 0 CCADLP Cc1[nH]c(CNC[C@H]2CCCC[N@@H+]2CCO)[nH+]c1C ZINC000657480861 413004680 /nfs/dbraw/zinc/00/46/80/413004680.db2.gz YWZITFFNAONFME-CYBMUJFWSA-N 2 2 266.389 0.963 20 0 CCADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000572759346 291902526 /nfs/dbraw/zinc/90/25/26/291902526.db2.gz AIVHIEMRLOIEIZ-NEPJUHHUSA-N 2 2 286.420 0.522 20 0 CCADLP COC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)C1CC1 ZINC000361220054 285235656 /nfs/dbraw/zinc/23/56/56/285235656.db2.gz IIMNACTYCAWDRE-OLZOCXBDSA-N 2 2 269.389 0.341 20 0 CCADLP COC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)C1CC1 ZINC000361220054 285235658 /nfs/dbraw/zinc/23/56/58/285235658.db2.gz IIMNACTYCAWDRE-OLZOCXBDSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000521640563 285283487 /nfs/dbraw/zinc/28/34/87/285283487.db2.gz YEPCZMDWPUVYTA-KBXIAJHMSA-N 2 2 295.427 0.968 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000521640563 285283491 /nfs/dbraw/zinc/28/34/91/285283491.db2.gz YEPCZMDWPUVYTA-KBXIAJHMSA-N 2 2 295.427 0.968 20 0 CCADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cccc(S(N)(=O)=O)c1 ZINC000041064093 388860667 /nfs/dbraw/zinc/86/06/67/388860667.db2.gz IHMUYBBYRCRVOA-NSHDSACASA-N 2 2 294.380 0.881 20 0 CCADLP Cc1cc(NCC(=O)N2CC[NH2+]CC2)nc(C(C)C)[nH+]1 ZINC000037716358 388847331 /nfs/dbraw/zinc/84/73/31/388847331.db2.gz CKDFUALLGVBEAR-UHFFFAOYSA-N 2 2 277.372 0.752 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)CC1CC[NH2+]CC1 ZINC000038075233 388849797 /nfs/dbraw/zinc/84/97/97/388849797.db2.gz AUWXINVVLQALKK-LBPRGKRZSA-N 2 2 269.389 0.213 20 0 CCADLP COC(=O)[C@H]1C[C@H](O)C[N@@H+]1CCCc1c[nH+]ccc1C ZINC000289683485 388881561 /nfs/dbraw/zinc/88/15/61/388881561.db2.gz MVCLUATUNPUFMT-UONOGXRCSA-N 2 2 278.352 0.931 20 0 CCADLP COC(=O)[C@H]1C[C@H](O)C[N@H+]1CCCc1c[nH+]ccc1C ZINC000289683485 388881565 /nfs/dbraw/zinc/88/15/65/388881565.db2.gz MVCLUATUNPUFMT-UONOGXRCSA-N 2 2 278.352 0.931 20 0 CCADLP CC[NH+]1CCC(NC(=O)NCc2c[nH+]cn2C)CC1 ZINC000290702993 388911049 /nfs/dbraw/zinc/91/10/49/388911049.db2.gz KEGMXXACMRMVLG-UHFFFAOYSA-N 2 2 265.361 0.704 20 0 CCADLP CCNC(=O)C[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000298552761 389029370 /nfs/dbraw/zinc/02/93/70/389029370.db2.gz OHOGKNRGHLBXKF-LBPRGKRZSA-N 2 2 292.383 0.737 20 0 CCADLP CCNC(=O)C[N@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000298552761 389029376 /nfs/dbraw/zinc/02/93/76/389029376.db2.gz OHOGKNRGHLBXKF-LBPRGKRZSA-N 2 2 292.383 0.737 20 0 CCADLP CC(C)[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000336787729 389017964 /nfs/dbraw/zinc/01/79/64/389017964.db2.gz MOTLJZXNMIFQTE-KGLIPLIRSA-N 2 2 256.390 0.657 20 0 CCADLP CC(C)[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000336787729 389017965 /nfs/dbraw/zinc/01/79/65/389017965.db2.gz MOTLJZXNMIFQTE-KGLIPLIRSA-N 2 2 256.390 0.657 20 0 CCADLP CC[C@@H]1CCCCN1C(=O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000336794258 389019090 /nfs/dbraw/zinc/01/90/90/389019090.db2.gz ARKCHJYRYJFIQT-NEPJUHHUSA-N 2 2 257.378 0.029 20 0 CCADLP CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000336794258 389019091 /nfs/dbraw/zinc/01/90/91/389019091.db2.gz ARKCHJYRYJFIQT-NEPJUHHUSA-N 2 2 257.378 0.029 20 0 CCADLP CC[NH+](CC)[C@H](C)C[NH2+]C1CCN(CC(=O)OC)CC1 ZINC000355281162 389051019 /nfs/dbraw/zinc/05/10/19/389051019.db2.gz NVRANPJYINHPPQ-CYBMUJFWSA-N 2 2 285.432 0.944 20 0 CCADLP C[C@@H]1C[N@H+](CCN2C[C@H](C)[NH+](C)C[C@H]2C)CCO1 ZINC000337320941 389059254 /nfs/dbraw/zinc/05/92/54/389059254.db2.gz PNIHQJIGZALRTP-BFHYXJOUSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2C[C@H](C)[NH+](C)C[C@H]2C)CCO1 ZINC000337320941 389059255 /nfs/dbraw/zinc/05/92/55/389059255.db2.gz PNIHQJIGZALRTP-BFHYXJOUSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1C[NH+](CCN2C[C@H](C)[N@H+](C)C[C@H]2C)CCO1 ZINC000337320941 389059256 /nfs/dbraw/zinc/05/92/56/389059256.db2.gz PNIHQJIGZALRTP-BFHYXJOUSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1C[NH+](CCN2C[C@H](C)[N@@H+](C)C[C@H]2C)CCO1 ZINC000337320941 389059257 /nfs/dbraw/zinc/05/92/57/389059257.db2.gz PNIHQJIGZALRTP-BFHYXJOUSA-N 2 2 255.406 0.732 20 0 CCADLP C[N@H+](CC(=O)NC[C@@H]1C[NH+](C)CCO1)Cc1ccccc1 ZINC000338122178 389076455 /nfs/dbraw/zinc/07/64/55/389076455.db2.gz SQEFCQUCAYJUFY-OAHLLOKOSA-N 2 2 291.395 0.565 20 0 CCADLP C[N@@H+](CC(=O)NC[C@@H]1C[NH+](C)CCO1)Cc1ccccc1 ZINC000338122178 389076458 /nfs/dbraw/zinc/07/64/58/389076458.db2.gz SQEFCQUCAYJUFY-OAHLLOKOSA-N 2 2 291.395 0.565 20 0 CCADLP C[NH+](CC(=O)NC[C@@H]1C[N@H+](C)CCO1)Cc1ccccc1 ZINC000338122178 389076463 /nfs/dbraw/zinc/07/64/63/389076463.db2.gz SQEFCQUCAYJUFY-OAHLLOKOSA-N 2 2 291.395 0.565 20 0 CCADLP C[NH+](CC(=O)NC[C@@H]1C[N@@H+](C)CCO1)Cc1ccccc1 ZINC000338122178 389076465 /nfs/dbraw/zinc/07/64/65/389076465.db2.gz SQEFCQUCAYJUFY-OAHLLOKOSA-N 2 2 291.395 0.565 20 0 CCADLP CC(C)(C(=O)NCCC[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000338165432 389081863 /nfs/dbraw/zinc/08/18/63/389081863.db2.gz IGIKGZXBZRYYLU-UHFFFAOYSA-N 2 2 283.416 0.699 20 0 CCADLP C[C@@H](NC(=O)C(C)(C)[NH+]1CCOCC1)C1=CC[N@H+](C)CC1 ZINC000338183077 389086322 /nfs/dbraw/zinc/08/63/22/389086322.db2.gz WYPUYLAALQPEFY-CYBMUJFWSA-N 2 2 295.427 0.864 20 0 CCADLP C[C@@H](NC(=O)C(C)(C)[NH+]1CCOCC1)C1=CC[N@@H+](C)CC1 ZINC000338183077 389086326 /nfs/dbraw/zinc/08/63/26/389086326.db2.gz WYPUYLAALQPEFY-CYBMUJFWSA-N 2 2 295.427 0.864 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cocn1 ZINC000105321574 389086736 /nfs/dbraw/zinc/08/67/36/389086736.db2.gz GAAKXEZQWMWNNQ-UHFFFAOYSA-N 2 2 280.372 0.773 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cocn1 ZINC000105321574 389086739 /nfs/dbraw/zinc/08/67/39/389086739.db2.gz GAAKXEZQWMWNNQ-UHFFFAOYSA-N 2 2 280.372 0.773 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]C1CCC(C(=O)OC)CC1 ZINC000192447913 389037295 /nfs/dbraw/zinc/03/72/95/389037295.db2.gz WWPZVWZQIMFCJK-UHFFFAOYSA-N 2 2 272.389 0.622 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]C1CCC(C(=O)OC)CC1 ZINC000192447913 389037296 /nfs/dbraw/zinc/03/72/96/389037296.db2.gz WWPZVWZQIMFCJK-UHFFFAOYSA-N 2 2 272.389 0.622 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000299734202 389042171 /nfs/dbraw/zinc/04/21/71/389042171.db2.gz ZLKUDBZFGJXYPF-GFCCVEGCSA-N 2 2 277.372 0.211 20 0 CCADLP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358225338 389145172 /nfs/dbraw/zinc/14/51/72/389145172.db2.gz CPHIEVVIJZULEO-BNOWGMLFSA-N 2 2 253.390 0.125 20 0 CCADLP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358225338 389145175 /nfs/dbraw/zinc/14/51/75/389145175.db2.gz CPHIEVVIJZULEO-BNOWGMLFSA-N 2 2 253.390 0.125 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]CCC1CCOCC1 ZINC000311152662 389101852 /nfs/dbraw/zinc/10/18/52/389101852.db2.gz JLRYXJOFCNBCNG-AWEZNQCLSA-N 2 2 255.406 0.639 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]CCC1CCOCC1 ZINC000311152662 389101853 /nfs/dbraw/zinc/10/18/53/389101853.db2.gz JLRYXJOFCNBCNG-AWEZNQCLSA-N 2 2 255.406 0.639 20 0 CCADLP CCC[C@H](C(=O)OCC)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313335128 389112354 /nfs/dbraw/zinc/11/23/54/389112354.db2.gz HGSFTESKRVUUSM-NWDGAFQWSA-N 2 2 258.362 0.768 20 0 CCADLP CCC[C@H](C(=O)OCC)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313335128 389112357 /nfs/dbraw/zinc/11/23/57/389112357.db2.gz HGSFTESKRVUUSM-NWDGAFQWSA-N 2 2 258.362 0.768 20 0 CCADLP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313337574 389112372 /nfs/dbraw/zinc/11/23/72/389112372.db2.gz JGEQQFHREQKBPX-NWDGAFQWSA-N 2 2 271.405 0.729 20 0 CCADLP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313337574 389112374 /nfs/dbraw/zinc/11/23/74/389112374.db2.gz JGEQQFHREQKBPX-NWDGAFQWSA-N 2 2 271.405 0.729 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2CCOC[C@H]2C)C[C@H](C)[NH+]1C ZINC000339617439 389135771 /nfs/dbraw/zinc/13/57/71/389135771.db2.gz OEIOKYVFMJGKIN-HZSPNIEDSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2CCOC[C@H]2C)C[C@H](C)[NH+]1C ZINC000339617439 389135776 /nfs/dbraw/zinc/13/57/76/389135776.db2.gz OEIOKYVFMJGKIN-HZSPNIEDSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000339617439 389135779 /nfs/dbraw/zinc/13/57/79/389135779.db2.gz OEIOKYVFMJGKIN-HZSPNIEDSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000339617439 389135783 /nfs/dbraw/zinc/13/57/83/389135783.db2.gz OEIOKYVFMJGKIN-HZSPNIEDSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H](C[NH3+])N(C)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000237474051 389188944 /nfs/dbraw/zinc/18/89/44/389188944.db2.gz NTLCVHIUXSVENI-ZDUSSCGKSA-N 2 2 291.395 0.938 20 0 CCADLP Cn1cc(C[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)cn1 ZINC000227800620 389151943 /nfs/dbraw/zinc/15/19/43/389151943.db2.gz OLSNDXXJHMCGHH-HOTGVXAUSA-N 2 2 288.395 0.783 20 0 CCADLP Cn1cc(C[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)cn1 ZINC000227800620 389151945 /nfs/dbraw/zinc/15/19/45/389151945.db2.gz OLSNDXXJHMCGHH-HOTGVXAUSA-N 2 2 288.395 0.783 20 0 CCADLP C[C@H]1[C@@H](NC(=O)N2CCn3c[nH+]cc3C2)CCC[N@@H+]1C ZINC000359189002 389168317 /nfs/dbraw/zinc/16/83/17/389168317.db2.gz FJJVVKVGWNGCNE-AAEUAGOBSA-N 2 2 277.372 0.891 20 0 CCADLP C[C@H]1[C@@H](NC(=O)N2CCn3c[nH+]cc3C2)CCC[N@H+]1C ZINC000359189002 389168319 /nfs/dbraw/zinc/16/83/19/389168319.db2.gz FJJVVKVGWNGCNE-AAEUAGOBSA-N 2 2 277.372 0.891 20 0 CCADLP CN(C(=O)c1cc(C[NH+](C)C)on1)[C@H]1CCC[N@H+](C)C1 ZINC000359437371 389173873 /nfs/dbraw/zinc/17/38/73/389173873.db2.gz KGGNMLQBORPFCP-NSHDSACASA-N 2 2 280.372 0.902 20 0 CCADLP CN(C(=O)c1cc(C[NH+](C)C)on1)[C@H]1CCC[N@@H+](C)C1 ZINC000359437371 389173876 /nfs/dbraw/zinc/17/38/76/389173876.db2.gz KGGNMLQBORPFCP-NSHDSACASA-N 2 2 280.372 0.902 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CC[NH2+]CC1(F)F)Cn1cc[nH+]c1 ZINC000342691330 389242524 /nfs/dbraw/zinc/24/25/24/389242524.db2.gz HDXUPXRVRHVIAG-QWRGUYRKSA-N 2 2 286.326 0.880 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000362890213 389242793 /nfs/dbraw/zinc/24/27/93/389242793.db2.gz FHHMMMKKNWINST-UKRRQHHQSA-N 3 2 296.459 0.326 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000362890213 389242794 /nfs/dbraw/zinc/24/27/94/389242794.db2.gz FHHMMMKKNWINST-UKRRQHHQSA-N 3 2 296.459 0.326 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000134886180 389250233 /nfs/dbraw/zinc/25/02/33/389250233.db2.gz PYVHPDUDTXQVAC-JTQLQIEISA-N 2 2 263.345 0.742 20 0 CCADLP COC(=O)[C@H]1C[C@@H](OC)C[N@H+]1CCn1cc[nH+]c1 ZINC000131299933 389211593 /nfs/dbraw/zinc/21/15/93/389211593.db2.gz WLJRZOCUPJSVNJ-GHMZBOCLSA-N 2 2 253.302 0.145 20 0 CCADLP COC(=O)[C@H]1C[C@@H](OC)C[N@@H+]1CCn1cc[nH+]c1 ZINC000131299933 389211596 /nfs/dbraw/zinc/21/15/96/389211596.db2.gz WLJRZOCUPJSVNJ-GHMZBOCLSA-N 2 2 253.302 0.145 20 0 CCADLP Cc1nn(C)cc1C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362700175 389239816 /nfs/dbraw/zinc/23/98/16/389239816.db2.gz YCROCMQHTYKSND-AWEZNQCLSA-N 2 2 291.399 0.125 20 0 CCADLP Cc1nn(C)cc1C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362700175 389239818 /nfs/dbraw/zinc/23/98/18/389239818.db2.gz YCROCMQHTYKSND-AWEZNQCLSA-N 2 2 291.399 0.125 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000345623795 389310723 /nfs/dbraw/zinc/31/07/23/389310723.db2.gz MMSDRLURHGBROB-UONOGXRCSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000345623795 389310726 /nfs/dbraw/zinc/31/07/26/389310726.db2.gz MMSDRLURHGBROB-UONOGXRCSA-N 2 2 281.400 0.404 20 0 CCADLP CC[C@H](C)[N@H+](C)CCNC(=O)NCc1[nH+]ccn1C ZINC000264205353 389312219 /nfs/dbraw/zinc/31/22/19/389312219.db2.gz RAGDZQCVVWQGIO-NSHDSACASA-N 2 2 267.377 0.950 20 0 CCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)NCc1[nH+]ccn1C ZINC000264205353 389312221 /nfs/dbraw/zinc/31/22/21/389312221.db2.gz RAGDZQCVVWQGIO-NSHDSACASA-N 2 2 267.377 0.950 20 0 CCADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(-n2cncn2)cc1 ZINC000154382709 389312267 /nfs/dbraw/zinc/31/22/67/389312267.db2.gz LMRYASJQEFJOPY-SWLSCSKDSA-N 2 2 289.383 0.840 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NCCCC[NH+]1CCOCC1 ZINC000264229595 389313902 /nfs/dbraw/zinc/31/39/02/389313902.db2.gz VNVFMDDYPNALQW-UHFFFAOYSA-N 2 2 295.387 0.332 20 0 CCADLP COCCC[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000367029026 389313995 /nfs/dbraw/zinc/31/39/95/389313995.db2.gz LABFKMIFUGGEEF-LSDHHAIUSA-N 2 2 269.433 0.981 20 0 CCADLP COCCC[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000367029026 389313998 /nfs/dbraw/zinc/31/39/98/389313998.db2.gz LABFKMIFUGGEEF-LSDHHAIUSA-N 2 2 269.433 0.981 20 0 CCADLP CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000156371380 389325747 /nfs/dbraw/zinc/32/57/47/389325747.db2.gz FRZXUGUZQSMLOT-CYBMUJFWSA-N 2 2 276.384 1.000 20 0 CCADLP CC[C@@H](O)C[NH+]1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000264427356 389327528 /nfs/dbraw/zinc/32/75/28/389327528.db2.gz JXHPGNWJPIUGAV-CYBMUJFWSA-N 2 2 280.372 0.188 20 0 CCADLP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000346989610 389344046 /nfs/dbraw/zinc/34/40/46/389344046.db2.gz RYVDIXMGNBWYAU-QWHCGFSZSA-N 2 2 267.373 0.012 20 0 CCADLP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000346989610 389344050 /nfs/dbraw/zinc/34/40/50/389344050.db2.gz RYVDIXMGNBWYAU-QWHCGFSZSA-N 2 2 267.373 0.012 20 0 CCADLP CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](C2CC2)C1 ZINC000346989610 389344052 /nfs/dbraw/zinc/34/40/52/389344052.db2.gz RYVDIXMGNBWYAU-QWHCGFSZSA-N 2 2 267.373 0.012 20 0 CCADLP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](C2CC2)C1 ZINC000346989610 389344054 /nfs/dbraw/zinc/34/40/54/389344054.db2.gz RYVDIXMGNBWYAU-QWHCGFSZSA-N 2 2 267.373 0.012 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H](C)CC(N)=O)C1 ZINC000346778702 389337439 /nfs/dbraw/zinc/33/74/39/389337439.db2.gz UXKPOUXZGDLFTH-RYUDHWBXSA-N 2 2 257.378 0.197 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H](C)CC(N)=O)C1 ZINC000346778702 389337441 /nfs/dbraw/zinc/33/74/41/389337441.db2.gz UXKPOUXZGDLFTH-RYUDHWBXSA-N 2 2 257.378 0.197 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261927082 389278735 /nfs/dbraw/zinc/27/87/35/389278735.db2.gz ZKCQROYOASTVFJ-BXUZGUMPSA-N 2 2 284.404 0.527 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261927082 389278737 /nfs/dbraw/zinc/27/87/37/389278737.db2.gz ZKCQROYOASTVFJ-BXUZGUMPSA-N 2 2 284.404 0.527 20 0 CCADLP CC(C)(C[NH3+])NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000151909589 389281055 /nfs/dbraw/zinc/28/10/55/389281055.db2.gz JGNRXEKZZXNERL-UHFFFAOYSA-N 2 2 291.399 0.057 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)[NH+]1CCOCC1 ZINC000262102990 389281384 /nfs/dbraw/zinc/28/13/84/389281384.db2.gz FSUHGHVJZZCDRI-BARDWOONSA-N 2 2 295.427 0.744 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262224088 389282989 /nfs/dbraw/zinc/28/29/89/389282989.db2.gz UUPKRXWRSPVGNY-QWHCGFSZSA-N 3 2 268.405 0.010 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262224088 389282992 /nfs/dbraw/zinc/28/29/92/389282992.db2.gz UUPKRXWRSPVGNY-QWHCGFSZSA-N 3 2 268.405 0.010 20 0 CCADLP C[N@@H+](Cc1cc(=O)n2[nH]ccc2n1)C[C@@H]1CCC[NH+](C)C1 ZINC000152360369 389288441 /nfs/dbraw/zinc/28/84/41/389288441.db2.gz NLRJXACCVMTASB-GFCCVEGCSA-N 2 2 289.383 0.796 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346978952 389342345 /nfs/dbraw/zinc/34/23/45/389342345.db2.gz LHTHFCMDSNHOKL-CQSZACIVSA-N 3 2 269.433 0.765 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346978952 389342349 /nfs/dbraw/zinc/34/23/49/389342349.db2.gz LHTHFCMDSNHOKL-CQSZACIVSA-N 3 2 269.433 0.765 20 0 CCADLP C[C@H]1CC[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@@H]1C[NH3+] ZINC000331400463 389304646 /nfs/dbraw/zinc/30/46/46/389304646.db2.gz NOIVSXYNPLFXCG-RYUDHWBXSA-N 2 2 274.430 0.728 20 0 CCADLP C[C@H]1CC[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@@H]1C[NH3+] ZINC000331400463 389304649 /nfs/dbraw/zinc/30/46/49/389304649.db2.gz NOIVSXYNPLFXCG-RYUDHWBXSA-N 2 2 274.430 0.728 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+](CCO)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000153735364 389306923 /nfs/dbraw/zinc/30/69/23/389306923.db2.gz KXSAFZOKEPTLDD-MCIONIFRSA-N 2 2 283.416 0.384 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000333007075 389401894 /nfs/dbraw/zinc/40/18/94/389401894.db2.gz RLCIPNFQVWZGPE-STQMWFEESA-N 2 2 291.399 0.981 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000333007075 389401896 /nfs/dbraw/zinc/40/18/96/389401896.db2.gz RLCIPNFQVWZGPE-STQMWFEESA-N 2 2 291.399 0.981 20 0 CCADLP Cc1cc(N2CC[C@@H]([NH2+][C@H](C)[C@H]3CCC[NH2+]3)C2=O)n(C)n1 ZINC000333277790 389407949 /nfs/dbraw/zinc/40/79/49/389407949.db2.gz LVCKLBMNJXCRKD-JHJVBQTASA-N 2 2 291.399 0.564 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCCCS1(=O)=O ZINC000333315488 389409342 /nfs/dbraw/zinc/40/93/42/389409342.db2.gz SRJHKOASBQJKKL-UTUOFQBUSA-N 2 2 260.403 0.541 20 0 CCADLP O=C(C[NH2+]C[C@@H]1CCCO1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000269245250 389409673 /nfs/dbraw/zinc/40/96/73/389409673.db2.gz MBHSCAJAQKLHPG-STQMWFEESA-N 2 2 292.383 0.884 20 0 CCADLP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+](C)C ZINC000370661333 389410282 /nfs/dbraw/zinc/41/02/82/389410282.db2.gz QHSQMNQANDQJMR-ZFWWWQNUSA-N 3 2 296.459 0.611 20 0 CCADLP CC[C@@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+](C)C ZINC000370661333 389410285 /nfs/dbraw/zinc/41/02/85/389410285.db2.gz QHSQMNQANDQJMR-ZFWWWQNUSA-N 3 2 296.459 0.611 20 0 CCADLP C[NH+]1CCN(C(=O)C2([NH3+])Cc3ccccc3C2)CC1 ZINC000162029032 389413653 /nfs/dbraw/zinc/41/36/53/389413653.db2.gz LPFFXHFCJIWORK-UHFFFAOYSA-N 2 2 259.353 0.257 20 0 CCADLP CCOC1CC2(C1)CC[N@H+](CC(=O)N1CC[NH+](C)CC1)C2 ZINC000367724345 389352409 /nfs/dbraw/zinc/35/24/09/389352409.db2.gz FPVJDUAVQSFFOD-UHFFFAOYSA-N 2 2 295.427 0.651 20 0 CCADLP CCOC1CC2(C1)CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)C2 ZINC000367724345 389352411 /nfs/dbraw/zinc/35/24/11/389352411.db2.gz FPVJDUAVQSFFOD-UHFFFAOYSA-N 2 2 295.427 0.651 20 0 CCADLP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000334235652 389461850 /nfs/dbraw/zinc/46/18/50/389461850.db2.gz HIHGPOUUGPRYCQ-JSGCOSHPSA-N 2 2 276.384 0.998 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC(C[NH3+])CC1 ZINC000422735987 389462871 /nfs/dbraw/zinc/46/28/71/389462871.db2.gz VKODTFSFLPGNJV-CQSZACIVSA-N 2 2 283.416 0.685 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CCC(C[NH3+])CC1 ZINC000422735987 389462873 /nfs/dbraw/zinc/46/28/73/389462873.db2.gz VKODTFSFLPGNJV-CQSZACIVSA-N 2 2 283.416 0.685 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN2C(=O)CC[C@@H]2C1 ZINC000334319390 389466707 /nfs/dbraw/zinc/46/67/07/389466707.db2.gz XUPVILRAOAHJPP-CHWSQXEVSA-N 2 2 251.374 0.777 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN2C(=O)CC[C@@H]2C1 ZINC000334319390 389466713 /nfs/dbraw/zinc/46/67/13/389466713.db2.gz XUPVILRAOAHJPP-CHWSQXEVSA-N 2 2 251.374 0.777 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000334319390 389466718 /nfs/dbraw/zinc/46/67/18/389466718.db2.gz XUPVILRAOAHJPP-CHWSQXEVSA-N 2 2 251.374 0.777 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000334319390 389466723 /nfs/dbraw/zinc/46/67/23/389466723.db2.gz XUPVILRAOAHJPP-CHWSQXEVSA-N 2 2 251.374 0.777 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC[NH2+]CC ZINC000422779644 389473628 /nfs/dbraw/zinc/47/36/28/389473628.db2.gz GDSDQPMFQQGGBA-LBPRGKRZSA-N 2 2 257.378 0.213 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC[NH2+]CC ZINC000422779644 389473632 /nfs/dbraw/zinc/47/36/32/389473632.db2.gz GDSDQPMFQQGGBA-LBPRGKRZSA-N 2 2 257.378 0.213 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccccc1OCCO ZINC000422778836 389473756 /nfs/dbraw/zinc/47/37/56/389473756.db2.gz HVGFRGNYIZRPIS-HIFRSBDPSA-N 2 2 294.395 0.914 20 0 CCADLP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)[C@H]1CCCC[NH2+]1 ZINC000422864359 389495348 /nfs/dbraw/zinc/49/53/48/389495348.db2.gz UUVKBWWNVRDUAF-RRFJBIMHSA-N 3 2 268.449 0.743 20 0 CCADLP CC(C)(C)NC(=O)C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422815776 389480622 /nfs/dbraw/zinc/48/06/22/389480622.db2.gz YJGVSSXMQZPMBR-DGCLKSJQSA-N 2 2 269.389 0.258 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000422818367 389481802 /nfs/dbraw/zinc/48/18/02/389481802.db2.gz KCTFHGVCXMRPHP-MJBXVCDLSA-N 2 2 283.416 0.696 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000422818367 389481807 /nfs/dbraw/zinc/48/18/07/389481807.db2.gz KCTFHGVCXMRPHP-MJBXVCDLSA-N 2 2 283.416 0.696 20 0 CCADLP CC[NH+](CC)CCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000373500773 389488193 /nfs/dbraw/zinc/48/81/93/389488193.db2.gz KGAREYMOQFIRHQ-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP CC[NH+](CC)CCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000373500773 389488197 /nfs/dbraw/zinc/48/81/97/389488197.db2.gz KGAREYMOQFIRHQ-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000274135921 389488684 /nfs/dbraw/zinc/48/86/84/389488684.db2.gz CPHQZVUCDXFZKZ-CYBMUJFWSA-N 2 2 277.372 0.727 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000274135921 389488687 /nfs/dbraw/zinc/48/86/87/389488687.db2.gz CPHQZVUCDXFZKZ-CYBMUJFWSA-N 2 2 277.372 0.727 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC[C@@H]1[NH3+] ZINC000422844624 389489358 /nfs/dbraw/zinc/48/93/58/389489358.db2.gz MLAWMCHHHWDUEB-SNPRPXQTSA-N 2 2 295.427 0.683 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC[C@@H]1[NH3+] ZINC000422844624 389489359 /nfs/dbraw/zinc/48/93/59/389489359.db2.gz MLAWMCHHHWDUEB-SNPRPXQTSA-N 2 2 295.427 0.683 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000422845528 389489991 /nfs/dbraw/zinc/48/99/91/389489991.db2.gz CCGCEZMGRBTVRC-GFCCVEGCSA-N 2 2 273.340 0.980 20 0 CCADLP C[C@]1(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC[NH2+]C1 ZINC000165258094 389439267 /nfs/dbraw/zinc/43/92/67/389439267.db2.gz OWIWOPSADZXWSL-HNNXBMFYSA-N 2 2 276.384 0.878 20 0 CCADLP CC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000167319887 389444298 /nfs/dbraw/zinc/44/42/98/389444298.db2.gz UILJSEWSDKHUSU-OLZOCXBDSA-N 2 2 269.389 0.437 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NC(C)(C)CC[NH3+] ZINC000422596872 389444307 /nfs/dbraw/zinc/44/43/07/389444307.db2.gz IIBVEJOBMJYQNB-NSHDSACASA-N 2 2 272.393 0.134 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NC(C)(C)CC[NH3+] ZINC000422596872 389444310 /nfs/dbraw/zinc/44/43/10/389444310.db2.gz IIBVEJOBMJYQNB-NSHDSACASA-N 2 2 272.393 0.134 20 0 CCADLP CCCC[N@@H+](C)CCN[C@@H]1CC[NH2+][C@@H]1C(=O)OCC ZINC000422707111 389455602 /nfs/dbraw/zinc/45/56/02/389455602.db2.gz GSOFEMHWVBVLAY-OLZOCXBDSA-N 2 2 271.405 0.602 20 0 CCADLP C[C@@H]1COCCN1CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422710414 389456020 /nfs/dbraw/zinc/45/60/20/389456020.db2.gz FPQOACBMIFYCPJ-SNPRPXQTSA-N 2 2 283.416 0.064 20 0 CCADLP C[C@H]([NH2+]CCN1CCOC[C@H]1C)[C@H]1CCCC[NH2+]1 ZINC000422711249 389456177 /nfs/dbraw/zinc/45/61/77/389456177.db2.gz GUTYHQJPMRRVPL-HZSPNIEDSA-N 2 2 255.406 0.827 20 0 CCADLP C[C@@H]1COCCN1CC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422710404 389456704 /nfs/dbraw/zinc/45/67/04/389456704.db2.gz FPQOACBMIFYCPJ-BPLDGKMQSA-N 2 2 283.416 0.064 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000170628765 389457986 /nfs/dbraw/zinc/45/79/86/389457986.db2.gz AJHSBWTUVMFSMS-UHFFFAOYSA-N 2 2 271.405 0.555 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000170628765 389457990 /nfs/dbraw/zinc/45/79/90/389457990.db2.gz AJHSBWTUVMFSMS-UHFFFAOYSA-N 2 2 271.405 0.555 20 0 CCADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)OC)C1 ZINC000350327540 389505739 /nfs/dbraw/zinc/50/57/39/389505739.db2.gz LYCAQCHOHYRHCP-GFCCVEGCSA-N 2 2 258.362 0.592 20 0 CCADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)OC)C1 ZINC000350327540 389505741 /nfs/dbraw/zinc/50/57/41/389505741.db2.gz LYCAQCHOHYRHCP-GFCCVEGCSA-N 2 2 258.362 0.592 20 0 CCADLP CC(C)NS(=O)(=O)CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422945682 389509333 /nfs/dbraw/zinc/50/93/33/389509333.db2.gz NRFGKADQTVVCOV-MNOVXSKESA-N 2 2 263.407 0.044 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)[C@H]1CCC[NH2+]1 ZINC000422954425 389510268 /nfs/dbraw/zinc/51/02/68/389510268.db2.gz HMVDKKGXCZLSOL-OPRDCNLKSA-N 2 2 279.306 0.880 20 0 CCADLP COc1cccc(CC[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)n1 ZINC000422988875 389518149 /nfs/dbraw/zinc/51/81/49/389518149.db2.gz AGFLWLCBUZZXDO-JSGCOSHPSA-N 2 2 279.384 0.989 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000373918257 389527908 /nfs/dbraw/zinc/52/79/08/389527908.db2.gz CGOUEAWMPLSQQC-LBPRGKRZSA-N 2 2 294.399 0.914 20 0 CCADLP COCC[N@@H+](C)CCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000373918257 389527910 /nfs/dbraw/zinc/52/79/10/389527910.db2.gz CGOUEAWMPLSQQC-LBPRGKRZSA-N 2 2 294.399 0.914 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000373918257 389527912 /nfs/dbraw/zinc/52/79/12/389527912.db2.gz CGOUEAWMPLSQQC-LBPRGKRZSA-N 2 2 294.399 0.914 20 0 CCADLP COCC[N@@H+](C)CCCNC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000373918257 389527916 /nfs/dbraw/zinc/52/79/16/389527916.db2.gz CGOUEAWMPLSQQC-LBPRGKRZSA-N 2 2 294.399 0.914 20 0 CCADLP CC[C@H](C(=O)OC)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174717951 389528613 /nfs/dbraw/zinc/52/86/13/389528613.db2.gz DAHQKPUYMDXFMM-CYBMUJFWSA-N 2 2 271.405 0.507 20 0 CCADLP CC[C@H](C(=O)OC)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174717951 389528614 /nfs/dbraw/zinc/52/86/14/389528614.db2.gz DAHQKPUYMDXFMM-CYBMUJFWSA-N 2 2 271.405 0.507 20 0 CCADLP FC(F)(F)OCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423069485 389529278 /nfs/dbraw/zinc/52/92/78/389529278.db2.gz LRAFZAFQZOMGEV-VHSXEESVSA-N 2 2 268.279 0.879 20 0 CCADLP C[N@@H+]1CC[C@H](NC(=O)C[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000335026077 389531352 /nfs/dbraw/zinc/53/13/52/389531352.db2.gz WAGJKMPFDDELRH-WCQYABFASA-N 2 2 269.295 0.785 20 0 CCADLP C[N@H+]1CC[C@H](NC(=O)C[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000335026077 389531358 /nfs/dbraw/zinc/53/13/58/389531358.db2.gz WAGJKMPFDDELRH-WCQYABFASA-N 2 2 269.295 0.785 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC000423112199 389536686 /nfs/dbraw/zinc/53/66/86/389536686.db2.gz RQQUGNRXYFDWTD-UTUOFQBUSA-N 2 2 295.349 0.837 20 0 CCADLP COc1ncccc1CC[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423143536 389541703 /nfs/dbraw/zinc/54/17/03/389541703.db2.gz XCLQPYHBAXXAAP-TZMCWYRMSA-N 2 2 279.384 0.989 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)[NH+](C)C ZINC000350899350 389553131 /nfs/dbraw/zinc/55/31/31/389553131.db2.gz XZXNLXMHVYRRGV-OCCSQVGLSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1)[NH+](C)C ZINC000350899350 389553134 /nfs/dbraw/zinc/55/31/34/389553134.db2.gz XZXNLXMHVYRRGV-OCCSQVGLSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)[NH+](C)C ZINC000350897616 389553182 /nfs/dbraw/zinc/55/31/82/389553182.db2.gz RYHJEVQZIMCUOW-OCCSQVGLSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)[NH+](C)C ZINC000350897616 389553185 /nfs/dbraw/zinc/55/31/85/389553185.db2.gz RYHJEVQZIMCUOW-OCCSQVGLSA-N 2 2 283.416 0.696 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)CCC[NH+]1CCCC1 ZINC000343775602 285340967 /nfs/dbraw/zinc/34/09/67/285340967.db2.gz GZKNFVUGHFIYAV-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP CC[NH2+]CC[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000423253689 389557404 /nfs/dbraw/zinc/55/74/04/389557404.db2.gz ZEZYEHNMMJECMF-NSHDSACASA-N 2 2 260.345 0.922 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N(C)CCC[NH+]1CCCC1 ZINC000343775602 285340972 /nfs/dbraw/zinc/34/09/72/285340972.db2.gz GZKNFVUGHFIYAV-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374210037 389558801 /nfs/dbraw/zinc/55/88/01/389558801.db2.gz SNHMJBFRYOLUIF-SECBINFHSA-N 2 2 279.344 0.433 20 0 CCADLP CC(C)(CNC(=O)CC1(C[NH3+])CC1)[NH+]1CCOCC1 ZINC000423303584 389560474 /nfs/dbraw/zinc/56/04/74/389560474.db2.gz JCRMGMSDNBISOT-UHFFFAOYSA-N 2 2 269.389 0.342 20 0 CCADLP CC(C)C[NH+]1CCN(C(=O)[C@H]([NH3+])c2cscn2)CC1 ZINC000423300282 389560884 /nfs/dbraw/zinc/56/08/84/389560884.db2.gz DFVGNUDNODHUDU-GFCCVEGCSA-N 2 2 282.413 0.943 20 0 CCADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000335440756 389563081 /nfs/dbraw/zinc/56/30/81/389563081.db2.gz WQCZZIIDXAZTPO-ONGXEEELSA-N 2 2 275.343 0.912 20 0 CCADLP COCC[NH2+]CC[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000423323325 389565688 /nfs/dbraw/zinc/56/56/88/389565688.db2.gz HCNMJVKQBTUORA-LBPRGKRZSA-N 2 2 290.371 0.549 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000422866048 389496146 /nfs/dbraw/zinc/49/61/46/389496146.db2.gz POTDVBYKURUSLW-LJISPDSOSA-N 2 2 297.443 0.990 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000422891380 389500817 /nfs/dbraw/zinc/50/08/17/389500817.db2.gz VFQMVBFYKCLKPE-IHRRRGAJSA-N 3 2 282.432 0.433 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000422891380 389500822 /nfs/dbraw/zinc/50/08/22/389500822.db2.gz VFQMVBFYKCLKPE-IHRRRGAJSA-N 3 2 282.432 0.433 20 0 CCADLP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000423924455 389614774 /nfs/dbraw/zinc/61/47/74/389614774.db2.gz ABDSIIRKGWXNFV-LXTVHRRPSA-N 2 2 295.427 0.552 20 0 CCADLP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000423924455 389614777 /nfs/dbraw/zinc/61/47/77/389614777.db2.gz ABDSIIRKGWXNFV-LXTVHRRPSA-N 2 2 295.427 0.552 20 0 CCADLP C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000351563342 389616165 /nfs/dbraw/zinc/61/61/65/389616165.db2.gz NGCTZVKXFHOECG-UHFFFAOYSA-N 2 2 297.424 0.684 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424335871 389623010 /nfs/dbraw/zinc/62/30/10/389623010.db2.gz POKCHZKYIUAJHZ-HBNTYKKESA-N 2 2 270.377 0.469 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CSC[NH2+]2)C[N@@H+]1C1CC1 ZINC000178867539 389625735 /nfs/dbraw/zinc/62/57/35/389625735.db2.gz DHPXBLOIYBFSIC-KKZNHRDASA-N 2 2 255.387 0.390 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CSC[NH2+]2)C[N@H+]1C1CC1 ZINC000178867539 389625738 /nfs/dbraw/zinc/62/57/38/389625738.db2.gz DHPXBLOIYBFSIC-KKZNHRDASA-N 2 2 255.387 0.390 20 0 CCADLP NC(=O)CCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000178874262 389626784 /nfs/dbraw/zinc/62/67/84/389626784.db2.gz PKKDEGZZLBRTRW-UHFFFAOYSA-N 2 2 283.295 0.498 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000414743828 389634434 /nfs/dbraw/zinc/63/44/34/389634434.db2.gz PFLRIKWXEDACTM-GHMZBOCLSA-N 2 2 263.407 0.113 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000414743828 389634439 /nfs/dbraw/zinc/63/44/39/389634439.db2.gz PFLRIKWXEDACTM-GHMZBOCLSA-N 2 2 263.407 0.113 20 0 CCADLP C[NH2+]CCC[NH2+]Cc1c(Br)cnn1C ZINC000414857395 389640323 /nfs/dbraw/zinc/64/03/23/389640323.db2.gz DCWZBLOTEKXSBX-UHFFFAOYSA-N 2 2 261.167 0.882 20 0 CCADLP CN(C)C(=O)COc1ccccc1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000414866534 389641282 /nfs/dbraw/zinc/64/12/82/389641282.db2.gz NBNSKARUEUHRPM-AWEZNQCLSA-N 2 2 291.395 0.995 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cc(C(N)=O)cs1 ZINC000414929730 389644851 /nfs/dbraw/zinc/64/48/51/389644851.db2.gz OJQFZZSRGLDMHK-LDYMZIIASA-N 2 2 253.371 0.935 20 0 CCADLP CCOCc1cc(C[N@H+](CC[NH3+])CCO)ccc1OC ZINC000414916329 389645424 /nfs/dbraw/zinc/64/54/24/389645424.db2.gz SHKIOQWPFRSDCF-UHFFFAOYSA-N 2 2 282.384 0.985 20 0 CCADLP CCOCc1cc(C[N@@H+](CC[NH3+])CCO)ccc1OC ZINC000414916329 389645425 /nfs/dbraw/zinc/64/54/25/389645425.db2.gz SHKIOQWPFRSDCF-UHFFFAOYSA-N 2 2 282.384 0.985 20 0 CCADLP CN(CC(F)(F)F)C(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351486818 389590572 /nfs/dbraw/zinc/59/05/72/389590572.db2.gz BGHSELQIHIFQLO-LPEHRKFASA-N 2 2 279.306 0.676 20 0 CCADLP CN(CC(F)(F)F)C(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351486818 389590578 /nfs/dbraw/zinc/59/05/78/389590578.db2.gz BGHSELQIHIFQLO-LPEHRKFASA-N 2 2 279.306 0.676 20 0 CCADLP COCC[N@@H+]1CC[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C1 ZINC000423486465 389594125 /nfs/dbraw/zinc/59/41/25/389594125.db2.gz SUUNGOCUGWNMIL-KGLIPLIRSA-N 3 2 255.406 0.829 20 0 CCADLP COCC[N@H+]1CC[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C1 ZINC000423486465 389594127 /nfs/dbraw/zinc/59/41/27/389594127.db2.gz SUUNGOCUGWNMIL-KGLIPLIRSA-N 3 2 255.406 0.829 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423512321 389596904 /nfs/dbraw/zinc/59/69/04/389596904.db2.gz PRXGMCGFPVLRNL-SLTXQBBLSA-N 3 2 280.460 0.790 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423512321 389596910 /nfs/dbraw/zinc/59/69/10/389596910.db2.gz PRXGMCGFPVLRNL-SLTXQBBLSA-N 3 2 280.460 0.790 20 0 CCADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nccc(N)n2)C1 ZINC000351521058 389603091 /nfs/dbraw/zinc/60/30/91/389603091.db2.gz STOQGMNISUOQDK-ZDUSSCGKSA-N 2 2 293.415 0.822 20 0 CCADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nccc(N)n2)C1 ZINC000351521058 389603094 /nfs/dbraw/zinc/60/30/94/389603094.db2.gz STOQGMNISUOQDK-ZDUSSCGKSA-N 2 2 293.415 0.822 20 0 CCADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nccc(N)n2)C1 ZINC000351521057 389603485 /nfs/dbraw/zinc/60/34/85/389603485.db2.gz STOQGMNISUOQDK-CYBMUJFWSA-N 2 2 293.415 0.822 20 0 CCADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nccc(N)n2)C1 ZINC000351521057 389603488 /nfs/dbraw/zinc/60/34/88/389603488.db2.gz STOQGMNISUOQDK-CYBMUJFWSA-N 2 2 293.415 0.822 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@@H]1CC[NH2+]CC1(F)F)[C@@H](C)[NH3+] ZINC000423690888 389605810 /nfs/dbraw/zinc/60/58/10/389605810.db2.gz DVDUWTRAKCWQRU-VWYCJHECSA-N 2 2 277.359 0.967 20 0 CCADLP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCn1cc[nH+]c1 ZINC000416287460 389725257 /nfs/dbraw/zinc/72/52/57/389725257.db2.gz BYTVCHFKVHGCHW-STQMWFEESA-N 2 2 280.372 0.187 20 0 CCADLP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CCn1cc[nH+]c1 ZINC000416287460 389725258 /nfs/dbraw/zinc/72/52/58/389725258.db2.gz BYTVCHFKVHGCHW-STQMWFEESA-N 2 2 280.372 0.187 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000414967628 389649536 /nfs/dbraw/zinc/64/95/36/389649536.db2.gz QJCKILGQCCTQCM-MRXNPFEDSA-N 3 2 285.395 0.866 20 0 CCADLP C[N@@H+](Cc1ccnn1-c1ccccc1)C[C@@H](O)C[NH3+] ZINC000415070269 389655408 /nfs/dbraw/zinc/65/54/08/389655408.db2.gz QJAPAHKBKSXMDU-AWEZNQCLSA-N 2 2 260.341 0.624 20 0 CCADLP C[N@H+](Cc1ccnn1-c1ccccc1)C[C@@H](O)C[NH3+] ZINC000415070269 389655410 /nfs/dbraw/zinc/65/54/10/389655410.db2.gz QJAPAHKBKSXMDU-AWEZNQCLSA-N 2 2 260.341 0.624 20 0 CCADLP COC(=O)c1ccc(Cl)c(C[N@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000415069212 389655682 /nfs/dbraw/zinc/65/56/82/389655682.db2.gz OJHRLVYDSHSPEG-NSHDSACASA-N 2 2 286.759 0.878 20 0 CCADLP COC(=O)c1ccc(Cl)c(C[N@@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000415069212 389655685 /nfs/dbraw/zinc/65/56/85/389655685.db2.gz OJHRLVYDSHSPEG-NSHDSACASA-N 2 2 286.759 0.878 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000181089804 389680274 /nfs/dbraw/zinc/68/02/74/389680274.db2.gz XHAMUAFLPQUBKU-UHFFFAOYSA-N 2 2 295.387 0.687 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181089804 389680279 /nfs/dbraw/zinc/68/02/79/389680279.db2.gz XHAMUAFLPQUBKU-UHFFFAOYSA-N 2 2 295.387 0.687 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000351857225 389700024 /nfs/dbraw/zinc/70/00/24/389700024.db2.gz XAQDAZTWYKIZRK-JGVFFNPUSA-N 2 2 296.293 0.044 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000351857225 389700032 /nfs/dbraw/zinc/70/00/32/389700032.db2.gz XAQDAZTWYKIZRK-JGVFFNPUSA-N 2 2 296.293 0.044 20 0 CCADLP Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)on1 ZINC000351858500 389700639 /nfs/dbraw/zinc/70/06/39/389700639.db2.gz ZIMPDUYNHAVRHC-GARJFASQSA-N 2 2 266.345 0.979 20 0 CCADLP Cc1cc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)on1 ZINC000351858500 389700640 /nfs/dbraw/zinc/70/06/40/389700640.db2.gz ZIMPDUYNHAVRHC-GARJFASQSA-N 2 2 266.345 0.979 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000351863727 389702795 /nfs/dbraw/zinc/70/27/95/389702795.db2.gz UTVDYMSJHDZMQM-HZSPNIEDSA-N 3 2 282.432 0.208 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000351863727 389702798 /nfs/dbraw/zinc/70/27/98/389702798.db2.gz UTVDYMSJHDZMQM-HZSPNIEDSA-N 3 2 282.432 0.208 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351862762 389702852 /nfs/dbraw/zinc/70/28/52/389702852.db2.gz QKCAJQMLUUMSIE-NWDGAFQWSA-N 2 2 262.419 0.869 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351862762 389702854 /nfs/dbraw/zinc/70/28/54/389702854.db2.gz QKCAJQMLUUMSIE-NWDGAFQWSA-N 2 2 262.419 0.869 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCSC[C@@H](C)C1 ZINC000379462171 389761005 /nfs/dbraw/zinc/76/10/05/389761005.db2.gz CIOLQNBZCBAOEL-STQMWFEESA-N 2 2 276.446 0.610 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCSC[C@@H](C)C1 ZINC000379462171 389761006 /nfs/dbraw/zinc/76/10/06/389761006.db2.gz CIOLQNBZCBAOEL-STQMWFEESA-N 2 2 276.446 0.610 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCSC[C@@H](C)C1 ZINC000379462171 389761008 /nfs/dbraw/zinc/76/10/08/389761008.db2.gz CIOLQNBZCBAOEL-STQMWFEESA-N 2 2 276.446 0.610 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCSC[C@@H](C)C1 ZINC000379462171 389761009 /nfs/dbraw/zinc/76/10/09/389761009.db2.gz CIOLQNBZCBAOEL-STQMWFEESA-N 2 2 276.446 0.610 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCS[C@@H](C)CC1 ZINC000379466411 389762090 /nfs/dbraw/zinc/76/20/90/389762090.db2.gz JIFFIQDNWMGIPN-QWHCGFSZSA-N 2 2 276.446 0.753 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCS[C@@H](C)CC1 ZINC000379466411 389762092 /nfs/dbraw/zinc/76/20/92/389762092.db2.gz JIFFIQDNWMGIPN-QWHCGFSZSA-N 2 2 276.446 0.753 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCS[C@@H](C)CC1 ZINC000379466411 389762094 /nfs/dbraw/zinc/76/20/94/389762094.db2.gz JIFFIQDNWMGIPN-QWHCGFSZSA-N 2 2 276.446 0.753 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCS[C@@H](C)CC1 ZINC000379466411 389762095 /nfs/dbraw/zinc/76/20/95/389762095.db2.gz JIFFIQDNWMGIPN-QWHCGFSZSA-N 2 2 276.446 0.753 20 0 CCADLP CCC[C@](C)([NH2+]CCC(=O)N1CC[NH+](C)CC1)C(=O)OC ZINC000429668472 389763603 /nfs/dbraw/zinc/76/36/03/389763603.db2.gz CGKPKUHVJTWUNZ-HNNXBMFYSA-N 2 2 299.415 0.472 20 0 CCADLP CN(CCC[NH+]1CCN(C)CC1)CC[N@@H+]1CCCOCC1 ZINC000429691925 389765715 /nfs/dbraw/zinc/76/57/15/389765715.db2.gz YLVIOIHCFQFRKG-UHFFFAOYSA-N 2 2 298.475 0.278 20 0 CCADLP CN(CCC[NH+]1CCN(C)CC1)CC[N@H+]1CCCOCC1 ZINC000429691925 389765717 /nfs/dbraw/zinc/76/57/17/389765717.db2.gz YLVIOIHCFQFRKG-UHFFFAOYSA-N 2 2 298.475 0.278 20 0 CCADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000352178256 389765944 /nfs/dbraw/zinc/76/59/44/389765944.db2.gz LFKYHQWFJRYADM-UONOGXRCSA-N 2 2 285.432 0.990 20 0 CCADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000387600732 389766691 /nfs/dbraw/zinc/76/66/91/389766691.db2.gz VVHUXIQVPYXCRM-RYUDHWBXSA-N 2 2 271.405 0.457 20 0 CCADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000387600732 389766694 /nfs/dbraw/zinc/76/66/94/389766694.db2.gz VVHUXIQVPYXCRM-RYUDHWBXSA-N 2 2 271.405 0.457 20 0 CCADLP CC(C)(CNC(=O)NC[C@@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000416812305 389772739 /nfs/dbraw/zinc/77/27/39/389772739.db2.gz DRSRTWHUYZGMTL-LBPRGKRZSA-N 2 2 284.404 0.148 20 0 CCADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000416814409 389772764 /nfs/dbraw/zinc/77/27/64/389772764.db2.gz GTLHTSCVLPNZRT-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H](C[NH3+])N(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000416826960 389774052 /nfs/dbraw/zinc/77/40/52/389774052.db2.gz NAXGDRWFHXVKBB-NSHDSACASA-N 2 2 272.393 0.086 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCN1CC=CCC1 ZINC000392289498 389774646 /nfs/dbraw/zinc/77/46/46/389774646.db2.gz INBSQCXVSIFDNI-KGLIPLIRSA-N 2 2 253.390 0.605 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)NCC[N@H+]1CC=CCC1 ZINC000392289498 389774648 /nfs/dbraw/zinc/77/46/48/389774648.db2.gz INBSQCXVSIFDNI-KGLIPLIRSA-N 2 2 253.390 0.605 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)NCC[N@@H+]1CC=CCC1 ZINC000392289498 389774650 /nfs/dbraw/zinc/77/46/50/389774650.db2.gz INBSQCXVSIFDNI-KGLIPLIRSA-N 2 2 253.390 0.605 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000416837731 389775334 /nfs/dbraw/zinc/77/53/34/389775334.db2.gz ARWPTVMWFCFKKW-MNOVXSKESA-N 2 2 251.334 0.180 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H](CO)C(C)(C)C)n1C ZINC000393979384 389775437 /nfs/dbraw/zinc/77/54/37/389775437.db2.gz XRMDYOSVLSJPOW-NSHDSACASA-N 2 2 254.378 0.983 20 0 CCADLP [NH3+][C@@H](CNC(=O)NCCc1cn2ccccc2[nH+]1)C1CC1 ZINC000416952412 389783925 /nfs/dbraw/zinc/78/39/25/389783925.db2.gz ULNZUBVNPMRIRT-ZDUSSCGKSA-N 2 2 287.367 0.913 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000417151822 389800252 /nfs/dbraw/zinc/80/02/52/389800252.db2.gz HZGSCSYKHAJXCQ-AWEZNQCLSA-N 2 2 297.378 0.925 20 0 CCADLP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000417010571 389788798 /nfs/dbraw/zinc/78/87/98/389788798.db2.gz PPRKXRBGMPJCRW-WCQYABFASA-N 2 2 291.399 0.945 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000417010570 389788871 /nfs/dbraw/zinc/78/88/71/389788871.db2.gz PPRKXRBGMPJCRW-DGCLKSJQSA-N 2 2 291.399 0.945 20 0 CCADLP O=C(NCCCNc1cccc[nH+]1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000417067249 389793374 /nfs/dbraw/zinc/79/33/74/389793374.db2.gz CVTLSUMLVQMIAZ-PJXYFTJBSA-N 2 2 275.356 0.401 20 0 CCADLP CC(C)[C@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[C@H](C)[NH3+] ZINC000399669106 389793732 /nfs/dbraw/zinc/79/37/32/389793732.db2.gz RUCHBENIVNPZBO-IHRRRGAJSA-N 2 2 283.416 0.539 20 0 CCADLP C[C@@H]1CN(C(=O)NCCCNc2cccc[nH+]2)CC[NH2+]1 ZINC000417083935 389794822 /nfs/dbraw/zinc/79/48/22/389794822.db2.gz UXXYPNAJQYHDDU-GFCCVEGCSA-N 2 2 277.372 0.887 20 0 CCADLP C[C@H]([NH3+])[C@H](C)NC(=O)NCCCNc1cccc[nH+]1 ZINC000417082120 389795207 /nfs/dbraw/zinc/79/52/07/389795207.db2.gz RCUJKFXPITWORQ-QWRGUYRKSA-N 2 2 265.361 0.919 20 0 CCADLP O=S1(=O)CCCN1[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000375922540 389725976 /nfs/dbraw/zinc/72/59/76/389725976.db2.gz ZJOPGFSGRSRJQK-CYBMUJFWSA-N 2 2 298.412 0.383 20 0 CCADLP O=S1(=O)CCCN1[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000375922540 389725978 /nfs/dbraw/zinc/72/59/78/389725978.db2.gz ZJOPGFSGRSRJQK-CYBMUJFWSA-N 2 2 298.412 0.383 20 0 CCADLP O=C1OCC[C@H]1[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000376484987 389736266 /nfs/dbraw/zinc/73/62/66/389736266.db2.gz OWMMUASOSDUPJX-CYBMUJFWSA-N 2 2 268.357 0.346 20 0 CCADLP CCONC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376623628 389739657 /nfs/dbraw/zinc/73/96/57/389739657.db2.gz RANLAGCWGBHPDD-ZDUSSCGKSA-N 2 2 284.404 0.748 20 0 CCADLP CCONC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376623628 389739659 /nfs/dbraw/zinc/73/96/59/389739659.db2.gz RANLAGCWGBHPDD-ZDUSSCGKSA-N 2 2 284.404 0.748 20 0 CCADLP CCC[NH2+]CCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000416432102 389741845 /nfs/dbraw/zinc/74/18/45/389741845.db2.gz DJEUZSWKTBRZOQ-LLVKDONJSA-N 2 2 253.350 0.570 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000416432414 389742796 /nfs/dbraw/zinc/74/27/96/389742796.db2.gz KBHZJLUERMQBQN-VXGBXAGGSA-N 2 2 265.361 0.794 20 0 CCADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCCCn1cc[nH+]c1 ZINC000416443350 389744524 /nfs/dbraw/zinc/74/45/24/389744524.db2.gz ZBKYVZYVXUQLRS-NWDGAFQWSA-N 2 2 265.361 0.665 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000352074007 389746242 /nfs/dbraw/zinc/74/62/42/389746242.db2.gz KMFJGIPPWNITEM-CHWSQXEVSA-N 2 2 291.461 0.682 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000352074007 389746244 /nfs/dbraw/zinc/74/62/44/389746244.db2.gz KMFJGIPPWNITEM-CHWSQXEVSA-N 2 2 291.461 0.682 20 0 CCADLP CC1CCN(C(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)CC1 ZINC000430549703 389807066 /nfs/dbraw/zinc/80/70/66/389807066.db2.gz JCHRXFJJWBRCEQ-AWEZNQCLSA-N 2 2 253.390 0.962 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)n(C)n1 ZINC000430618782 389813352 /nfs/dbraw/zinc/81/33/52/389813352.db2.gz WXQDDZHDIWMOQL-LLVKDONJSA-N 2 2 265.361 0.338 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)n(C)n1 ZINC000430618782 389813354 /nfs/dbraw/zinc/81/33/54/389813354.db2.gz WXQDDZHDIWMOQL-LLVKDONJSA-N 2 2 265.361 0.338 20 0 CCADLP C[C@]1(C[NH3+])CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000417410632 389813629 /nfs/dbraw/zinc/81/36/29/389813629.db2.gz BUGAKBVRANPWLB-OAHLLOKOSA-N 2 2 298.431 0.478 20 0 CCADLP C[C@]1(C[NH3+])CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000417410632 389813630 /nfs/dbraw/zinc/81/36/30/389813630.db2.gz BUGAKBVRANPWLB-OAHLLOKOSA-N 2 2 298.431 0.478 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(C[NH3+])CC2)CC1 ZINC000430653314 389816481 /nfs/dbraw/zinc/81/64/81/389816481.db2.gz YTRZCHIDOQXCGA-CYBMUJFWSA-N 3 2 282.432 0.210 20 0 CCADLP CC[NH2+]CCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000418318616 389872867 /nfs/dbraw/zinc/87/28/67/389872867.db2.gz AFIXDNPFBDJYTM-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP COCC[C@]1(C(=O)NCCc2[nH]cc[nH+]2)CC[NH2+]C1 ZINC000430728500 389821020 /nfs/dbraw/zinc/82/10/20/389821020.db2.gz KWWSBDOIKDATHZ-CYBMUJFWSA-N 2 2 266.345 0.085 20 0 CCADLP CNC(=O)[C@H](CCSC)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000352512352 389822448 /nfs/dbraw/zinc/82/24/48/389822448.db2.gz WWONDHKUHPLCBK-UTUOFQBUSA-N 2 2 273.446 0.926 20 0 CCADLP CNC(=O)[C@H](CCSC)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000352512352 389822452 /nfs/dbraw/zinc/82/24/52/389822452.db2.gz WWONDHKUHPLCBK-UTUOFQBUSA-N 2 2 273.446 0.926 20 0 CCADLP C[C@@H](NC(=O)N1CC[NH2+][C@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000417515461 389824177 /nfs/dbraw/zinc/82/41/77/389824177.db2.gz DIZQVFJLIZWMLD-UPJWGTAASA-N 2 2 284.404 0.099 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N(C)[C@@H](C)C[NH3+])[NH+]1CCOCC1 ZINC000417517014 389825058 /nfs/dbraw/zinc/82/50/58/389825058.db2.gz IFGWZXOIKAHTEE-SDDRHHMPSA-N 2 2 272.393 0.084 20 0 CCADLP CC(C)n1nccc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352526271 389825695 /nfs/dbraw/zinc/82/56/95/389825695.db2.gz LZSHRFHJIRNYKJ-AWEZNQCLSA-N 2 2 277.416 0.944 20 0 CCADLP CC(C)n1nccc1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352526272 389825730 /nfs/dbraw/zinc/82/57/30/389825730.db2.gz LZSHRFHJIRNYKJ-CQSZACIVSA-N 2 2 277.416 0.944 20 0 CCADLP C[C@H](NC(=O)N1C[C@H](C[NH3+])C[C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000417523102 389825964 /nfs/dbraw/zinc/82/59/64/389825964.db2.gz QZCMKRZOYPKFBP-RFGFWPKPSA-N 2 2 298.431 0.474 20 0 CCADLP C[NH2+]C[C@@H]1CCCN1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000417529860 389826935 /nfs/dbraw/zinc/82/69/35/389826935.db2.gz XYAZFBZXSGNHRC-RDBSUJKOSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000417528374 389827037 /nfs/dbraw/zinc/82/70/37/389827037.db2.gz PQMVODATJUGYGK-MCIONIFRSA-N 2 2 298.431 0.524 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000417528374 389827041 /nfs/dbraw/zinc/82/70/41/389827041.db2.gz PQMVODATJUGYGK-MCIONIFRSA-N 2 2 298.431 0.524 20 0 CCADLP C[C@H]([NH3+])C1CCN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000417528820 389827298 /nfs/dbraw/zinc/82/72/98/389827298.db2.gz QBHKNLZEMAEXBD-OLZOCXBDSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@H]([NH3+])C1CCN(C(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC000417528820 389827302 /nfs/dbraw/zinc/82/73/02/389827302.db2.gz QBHKNLZEMAEXBD-OLZOCXBDSA-N 2 2 298.431 0.476 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000417530344 389828277 /nfs/dbraw/zinc/82/82/77/389828277.db2.gz YGARKWPCAXUQSH-JHJVBQTASA-N 2 2 286.420 0.378 20 0 CCADLP Cc1cn2cc(NC(=O)CN3CC[NH2+]CC3=O)ccc2[nH+]1 ZINC000430914299 389834229 /nfs/dbraw/zinc/83/42/29/389834229.db2.gz IZJPJHDNBGQQEG-UHFFFAOYSA-N 2 2 287.323 0.013 20 0 CCADLP Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH3+])C2)on1 ZINC000430930447 389836382 /nfs/dbraw/zinc/83/63/82/389836382.db2.gz ATHWTMKWXNFCAM-VHSXEESVSA-N 2 2 252.318 0.591 20 0 CCADLP Cc1cc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C[NH3+])C2)on1 ZINC000430930447 389836383 /nfs/dbraw/zinc/83/63/83/389836383.db2.gz ATHWTMKWXNFCAM-VHSXEESVSA-N 2 2 252.318 0.591 20 0 CCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC000352808316 389836961 /nfs/dbraw/zinc/83/69/61/389836961.db2.gz ZUYQXOBGBMHGMB-HZSPNIEDSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC000352808316 389836963 /nfs/dbraw/zinc/83/69/63/389836963.db2.gz ZUYQXOBGBMHGMB-HZSPNIEDSA-N 2 2 288.395 0.998 20 0 CCADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000430950127 389839555 /nfs/dbraw/zinc/83/95/55/389839555.db2.gz GEALINUKHUDNNF-LLVKDONJSA-N 2 2 291.351 0.677 20 0 CCADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000430950127 389839557 /nfs/dbraw/zinc/83/95/57/389839557.db2.gz GEALINUKHUDNNF-LLVKDONJSA-N 2 2 291.351 0.677 20 0 CCADLP COc1coc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1=O ZINC000430963159 389840736 /nfs/dbraw/zinc/84/07/36/389840736.db2.gz SHCLBOVNFPPUKW-ONGXEEELSA-N 2 2 252.314 0.818 20 0 CCADLP COc1coc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1=O ZINC000430963159 389840737 /nfs/dbraw/zinc/84/07/37/389840737.db2.gz SHCLBOVNFPPUKW-ONGXEEELSA-N 2 2 252.314 0.818 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000431002072 389843581 /nfs/dbraw/zinc/84/35/81/389843581.db2.gz AQERPYSHGYZSCY-JTQLQIEISA-N 2 2 252.318 0.103 20 0 CCADLP C[C@@H]([NH3+])C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000442660671 389853877 /nfs/dbraw/zinc/85/38/77/389853877.db2.gz DMNHRSRIUKCOJE-CYBMUJFWSA-N 3 2 298.475 0.750 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000417885405 389860936 /nfs/dbraw/zinc/86/09/36/389860936.db2.gz IWYIQKJDDOQYMG-NXEZZACHSA-N 2 2 261.329 0.869 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)CC1 ZINC000442761902 389861507 /nfs/dbraw/zinc/86/15/07/389861507.db2.gz ZAUVREAGLBXOCS-RDBSUJKOSA-N 3 2 282.432 0.208 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@H](C[NH3+])C[C@H]2C)CC1 ZINC000442761902 389861510 /nfs/dbraw/zinc/86/15/10/389861510.db2.gz ZAUVREAGLBXOCS-RDBSUJKOSA-N 3 2 282.432 0.208 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000442799256 389863761 /nfs/dbraw/zinc/86/37/61/389863761.db2.gz ZUSDLIDDHHJUME-WOPDTQHZSA-N 2 2 257.378 0.197 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000442799256 389863763 /nfs/dbraw/zinc/86/37/63/389863763.db2.gz ZUSDLIDDHHJUME-WOPDTQHZSA-N 2 2 257.378 0.197 20 0 CCADLP C[NH+](C)CC(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000442798701 389863816 /nfs/dbraw/zinc/86/38/16/389863816.db2.gz JXJYLFLDPIFUJO-UHFFFAOYSA-N 2 2 270.421 0.080 20 0 CCADLP CCn1c[nH+]cc1CN1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000418037840 389867154 /nfs/dbraw/zinc/86/71/54/389867154.db2.gz XTYWOLCKBPWODD-CHWSQXEVSA-N 2 2 266.389 0.790 20 0 CCADLP CCn1c[nH+]cc1CN1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000418037840 389867156 /nfs/dbraw/zinc/86/71/56/389867156.db2.gz XTYWOLCKBPWODD-CHWSQXEVSA-N 2 2 266.389 0.790 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@H](C)CC[NH3+])CCO1 ZINC000418567323 389879226 /nfs/dbraw/zinc/87/92/26/389879226.db2.gz WLKOEVGRIKTFPS-VXGBXAGGSA-N 2 2 272.393 0.134 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@H](C)CC[NH3+])CCO1 ZINC000418567323 389879227 /nfs/dbraw/zinc/87/92/27/389879227.db2.gz WLKOEVGRIKTFPS-VXGBXAGGSA-N 2 2 272.393 0.134 20 0 CCADLP [NH3+]Cc1cc(C(=O)NCC[NH+]2CCSCC2)co1 ZINC000444181079 389895537 /nfs/dbraw/zinc/89/55/37/389895537.db2.gz IYIKAHLCYSIBLO-UHFFFAOYSA-N 2 2 269.370 0.517 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1(O)CCCC1 ZINC000444627748 389910911 /nfs/dbraw/zinc/91/09/11/389910911.db2.gz YSQMTLOAJXLKGI-UHFFFAOYSA-N 2 2 297.443 0.776 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1(O)CCCC1 ZINC000444627748 389910913 /nfs/dbraw/zinc/91/09/13/389910913.db2.gz YSQMTLOAJXLKGI-UHFFFAOYSA-N 2 2 297.443 0.776 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000447453600 389955750 /nfs/dbraw/zinc/95/57/50/389955750.db2.gz WJONOOLQENXGJY-LBPRGKRZSA-N 2 2 280.372 0.242 20 0 CCADLP CC[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435622226 389959193 /nfs/dbraw/zinc/95/91/93/389959193.db2.gz CGJQHCDVOUSTNL-OLZOCXBDSA-N 2 2 298.431 0.043 20 0 CCADLP CC[N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435622226 389959195 /nfs/dbraw/zinc/95/91/95/389959195.db2.gz CGJQHCDVOUSTNL-OLZOCXBDSA-N 2 2 298.431 0.043 20 0 CCADLP C[NH2+]CCNc1cc(N2CCSCC2)[nH+]cn1 ZINC000420162715 389961327 /nfs/dbraw/zinc/96/13/27/389961327.db2.gz YNMIWLACPXAKKW-UHFFFAOYSA-N 2 2 253.375 0.661 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000447659750 389961881 /nfs/dbraw/zinc/96/18/81/389961881.db2.gz PRDMNNOLTPPZDQ-HIFRSBDPSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000447659750 389961884 /nfs/dbraw/zinc/96/18/84/389961884.db2.gz PRDMNNOLTPPZDQ-HIFRSBDPSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H](C[NH3+])Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000420240535 389971198 /nfs/dbraw/zinc/97/11/98/389971198.db2.gz GYAJYYLDBCREDN-QWRGUYRKSA-N 2 2 265.361 0.587 20 0 CCADLP C[C@H](O)CNc1cc(N2CCC[C@H](CC[NH3+])C2)nc[nH+]1 ZINC000420246734 389972677 /nfs/dbraw/zinc/97/26/77/389972677.db2.gz SOTYEQSTNOYMNJ-NWDGAFQWSA-N 2 2 279.388 0.835 20 0 CCADLP C[C@H](O)CNc1cc(N2CCC[C@H](CC[NH3+])C2)[nH+]cn1 ZINC000420246734 389972679 /nfs/dbraw/zinc/97/26/79/389972679.db2.gz SOTYEQSTNOYMNJ-NWDGAFQWSA-N 2 2 279.388 0.835 20 0 CCADLP C[C@H]1CN(CC[NH+]2CCOCC2)CC[N@@H+]1CC(C)(C)O ZINC000444755467 389917117 /nfs/dbraw/zinc/91/71/17/389917117.db2.gz FJMPLSFKFYTHIL-AWEZNQCLSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H]1CN(CC[NH+]2CCOCC2)CC[N@H+]1CC(C)(C)O ZINC000444755467 389917120 /nfs/dbraw/zinc/91/71/20/389917120.db2.gz FJMPLSFKFYTHIL-AWEZNQCLSA-N 2 2 285.432 0.096 20 0 CCADLP Cn1cc([C@@H]2C[N@H+](CCCn3cc[nH+]c3)C[C@H]2CO)cn1 ZINC000444753060 389917344 /nfs/dbraw/zinc/91/73/44/389917344.db2.gz XGLHCYHHCMILDU-GJZGRUSLSA-N 2 2 289.383 0.715 20 0 CCADLP Cn1cc([C@@H]2C[N@@H+](CCCn3cc[nH+]c3)C[C@H]2CO)cn1 ZINC000444753060 389917345 /nfs/dbraw/zinc/91/73/45/389917345.db2.gz XGLHCYHHCMILDU-GJZGRUSLSA-N 2 2 289.383 0.715 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436302363 389973876 /nfs/dbraw/zinc/97/38/76/389973876.db2.gz UCDORPSXGSZVEJ-GZBFAFLISA-N 2 2 281.400 0.213 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436302363 389973878 /nfs/dbraw/zinc/97/38/78/389973878.db2.gz UCDORPSXGSZVEJ-GZBFAFLISA-N 2 2 281.400 0.213 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(N3CCOCC3)CC2)C1 ZINC000434781771 389945562 /nfs/dbraw/zinc/94/55/62/389945562.db2.gz DHJHFLVJNIPYPS-KGLIPLIRSA-N 2 2 267.417 0.781 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(N3CCOCC3)CC2)C1 ZINC000434781771 389945563 /nfs/dbraw/zinc/94/55/63/389945563.db2.gz DHJHFLVJNIPYPS-KGLIPLIRSA-N 2 2 267.417 0.781 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(N2CCOCC2)CC1 ZINC000434786013 389946120 /nfs/dbraw/zinc/94/61/20/389946120.db2.gz NIQCFMYZQKQURQ-STQMWFEESA-N 2 2 253.390 0.391 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(N2CCOCC2)CC1 ZINC000434786013 389946121 /nfs/dbraw/zinc/94/61/21/389946121.db2.gz NIQCFMYZQKQURQ-STQMWFEESA-N 2 2 253.390 0.391 20 0 CCADLP C[NH+](C)CC[C@@](C)(O)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000420056140 389949415 /nfs/dbraw/zinc/94/94/15/389949415.db2.gz ZCWKWMXOVWQLIH-OAHLLOKOSA-N 2 2 290.367 0.767 20 0 CCADLP CN(c1cc(N2CCSCC2)[nH+]cn1)C1C[NH2+]C1 ZINC000420262286 389974755 /nfs/dbraw/zinc/97/47/55/389974755.db2.gz QTOXWRXPMXIXNG-UHFFFAOYSA-N 2 2 265.386 0.438 20 0 CCADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000420295652 389979436 /nfs/dbraw/zinc/97/94/36/389979436.db2.gz PRKNVJPHKPRDKV-QWHCGFSZSA-N 2 2 297.399 0.211 20 0 CCADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000420295652 389979437 /nfs/dbraw/zinc/97/94/37/389979437.db2.gz PRKNVJPHKPRDKV-QWHCGFSZSA-N 2 2 297.399 0.211 20 0 CCADLP C[C@H]1COCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420315291 389982901 /nfs/dbraw/zinc/98/29/01/389982901.db2.gz LNLSITCXKFQYCY-QEJZJMRPSA-N 2 2 264.369 0.638 20 0 CCADLP C[C@H]1COCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420315291 389982902 /nfs/dbraw/zinc/98/29/02/389982902.db2.gz LNLSITCXKFQYCY-QEJZJMRPSA-N 2 2 264.369 0.638 20 0 CCADLP COc1ccc([C@@H](C[NH3+])C[N@H+](C)CC(=O)NC2CC2)cc1 ZINC000420325097 389984108 /nfs/dbraw/zinc/98/41/08/389984108.db2.gz WGGKGVXNWJKTGL-ZDUSSCGKSA-N 2 2 291.395 0.948 20 0 CCADLP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)CC(=O)NC2CC2)cc1 ZINC000420325097 389984110 /nfs/dbraw/zinc/98/41/10/389984110.db2.gz WGGKGVXNWJKTGL-ZDUSSCGKSA-N 2 2 291.395 0.948 20 0 CCADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000420343925 389986900 /nfs/dbraw/zinc/98/69/00/389986900.db2.gz XDEUITTXBMGTPY-IKWCTNDRSA-N 2 2 296.415 0.812 20 0 CCADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000420343925 389986902 /nfs/dbraw/zinc/98/69/02/389986902.db2.gz XDEUITTXBMGTPY-IKWCTNDRSA-N 2 2 296.415 0.812 20 0 CCADLP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420349406 389987977 /nfs/dbraw/zinc/98/79/77/389987977.db2.gz CVFUTMMRZUUQDK-RISCZKNCSA-N 2 2 297.374 0.124 20 0 CCADLP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420349406 389987981 /nfs/dbraw/zinc/98/79/81/389987981.db2.gz CVFUTMMRZUUQDK-RISCZKNCSA-N 2 2 297.374 0.124 20 0 CCADLP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420351821 389988853 /nfs/dbraw/zinc/98/88/53/389988853.db2.gz LBUFPGNMPKYKFI-IHRRRGAJSA-N 2 2 293.411 0.812 20 0 CCADLP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420351821 389988856 /nfs/dbraw/zinc/98/88/56/389988856.db2.gz LBUFPGNMPKYKFI-IHRRRGAJSA-N 2 2 293.411 0.812 20 0 CCADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420352242 389989402 /nfs/dbraw/zinc/98/94/02/389989402.db2.gz LUSVMRIYCUQNNE-JOYOIKCWSA-N 2 2 285.775 0.918 20 0 CCADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420352242 389989404 /nfs/dbraw/zinc/98/94/04/389989404.db2.gz LUSVMRIYCUQNNE-JOYOIKCWSA-N 2 2 285.775 0.918 20 0 CCADLP CCc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000420353639 389989809 /nfs/dbraw/zinc/98/98/09/389989809.db2.gz NLHLUNLWCQOWLV-FZMZJTMJSA-N 2 2 279.384 0.827 20 0 CCADLP CCc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000420353639 389989811 /nfs/dbraw/zinc/98/98/11/389989811.db2.gz NLHLUNLWCQOWLV-FZMZJTMJSA-N 2 2 279.384 0.827 20 0 CCADLP Cc1ccccc1CNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420352850 389989816 /nfs/dbraw/zinc/98/98/16/389989816.db2.gz MVGWPVBNSAKZQR-TZMCWYRMSA-N 2 2 279.384 0.251 20 0 CCADLP Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420352850 389989818 /nfs/dbraw/zinc/98/98/18/389989818.db2.gz MVGWPVBNSAKZQR-TZMCWYRMSA-N 2 2 279.384 0.251 20 0 CCADLP CSc1ccccc1NC(=O)[C@H](C)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420354504 389990285 /nfs/dbraw/zinc/99/02/85/389990285.db2.gz OLQQJKVLNUWZFX-QWRGUYRKSA-N 2 2 297.424 0.987 20 0 CCADLP CSc1ccccc1NC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420354504 389990288 /nfs/dbraw/zinc/99/02/88/389990288.db2.gz OLQQJKVLNUWZFX-QWRGUYRKSA-N 2 2 297.424 0.987 20 0 CCADLP CCN(C(=O)[C@@H](C)[N@H+](C)C[C@@H](O)C[NH3+])c1ccccc1 ZINC000420358416 389990616 /nfs/dbraw/zinc/99/06/16/389990616.db2.gz UHDUEDUIDWIDHW-OCCSQVGLSA-N 2 2 279.384 0.679 20 0 CCADLP CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])c1ccccc1 ZINC000420358416 389990617 /nfs/dbraw/zinc/99/06/17/389990617.db2.gz UHDUEDUIDWIDHW-OCCSQVGLSA-N 2 2 279.384 0.679 20 0 CCADLP Cc1ccccc1CCNC(=O)[C@H](C)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420359831 389991226 /nfs/dbraw/zinc/99/12/26/389991226.db2.gz WFAVVFHHJXGMJI-DZGCQCFKSA-N 2 2 293.411 0.294 20 0 CCADLP Cc1ccccc1CCNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420359831 389991229 /nfs/dbraw/zinc/99/12/29/389991229.db2.gz WFAVVFHHJXGMJI-DZGCQCFKSA-N 2 2 293.411 0.294 20 0 CCADLP C[N@H+](C[C@H](O)C[NH3+])[C@H]1CCCN(c2ccccc2F)C1=O ZINC000420362939 389992717 /nfs/dbraw/zinc/99/27/17/389992717.db2.gz ZVPVBMIWHDCOMM-RISCZKNCSA-N 2 2 295.358 0.573 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH3+])[C@H]1CCCN(c2ccccc2F)C1=O ZINC000420362939 389992718 /nfs/dbraw/zinc/99/27/18/389992718.db2.gz ZVPVBMIWHDCOMM-RISCZKNCSA-N 2 2 295.358 0.573 20 0 CCADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000449213308 389992938 /nfs/dbraw/zinc/99/29/38/389992938.db2.gz VFSRKAKXAQPASA-SRVKXCTJSA-N 2 2 287.354 0.832 20 0 CCADLP CN(CC[NH3+])CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000420373281 389994002 /nfs/dbraw/zinc/99/40/02/389994002.db2.gz FYSFBJXJBZWIMF-UHFFFAOYSA-N 2 2 296.440 0.283 20 0 CCADLP C[C@@H](O)CNc1cc(N(C)C[C@H]2CCC[N@@H+]2C)nc[nH+]1 ZINC000420635300 390019093 /nfs/dbraw/zinc/01/90/93/390019093.db2.gz MBGGDIFHUWVPGN-VXGBXAGGSA-N 2 2 279.388 0.800 20 0 CCADLP C[C@@H](O)CNc1cc(N(C)C[C@H]2CCC[N@H+]2C)nc[nH+]1 ZINC000420635300 390019095 /nfs/dbraw/zinc/01/90/95/390019095.db2.gz MBGGDIFHUWVPGN-VXGBXAGGSA-N 2 2 279.388 0.800 20 0 CCADLP C[C@@H](CNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)[NH+](C)C ZINC000459040302 390068271 /nfs/dbraw/zinc/06/82/71/390068271.db2.gz LOJVCIGGTPFSEM-LBPRGKRZSA-N 2 2 294.403 0.187 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCCOCC[NH+](C)C ZINC000471657416 390078637 /nfs/dbraw/zinc/07/86/37/390078637.db2.gz HINSETRMLYSYQG-LBPRGKRZSA-N 2 2 283.376 0.149 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)N[C@H]2CCn3cc[nH+]c3C2)CCC[N@@H+]1C ZINC000488534935 390094526 /nfs/dbraw/zinc/09/45/26/390094526.db2.gz KMWHLLSCYXYOHH-AGIUHOORSA-N 2 2 291.399 0.980 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)N[C@H]2CCn3cc[nH+]c3C2)CCC[N@H+]1C ZINC000488534935 390094527 /nfs/dbraw/zinc/09/45/27/390094527.db2.gz KMWHLLSCYXYOHH-AGIUHOORSA-N 2 2 291.399 0.980 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000488576154 390094967 /nfs/dbraw/zinc/09/49/67/390094967.db2.gz ITVVIJPYUKGPDV-VHDGCEQUSA-N 2 2 288.395 0.752 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000488576154 390094968 /nfs/dbraw/zinc/09/49/68/390094968.db2.gz ITVVIJPYUKGPDV-VHDGCEQUSA-N 2 2 288.395 0.752 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)/C=C\C[NH+](C)C ZINC000491687014 390115929 /nfs/dbraw/zinc/11/59/29/390115929.db2.gz TVZHHNAAACYLEL-VURMDHGXSA-N 2 2 262.357 0.882 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC1C[NH+](C(C)C)C1 ZINC000457715328 390048659 /nfs/dbraw/zinc/04/86/59/390048659.db2.gz DYPPRSQHHPDISH-CQSZACIVSA-N 2 2 283.416 0.696 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC1C[NH+](C(C)C)C1 ZINC000457715328 390048660 /nfs/dbraw/zinc/04/86/60/390048660.db2.gz DYPPRSQHHPDISH-CQSZACIVSA-N 2 2 283.416 0.696 20 0 CCADLP [NH3+]CC1CC[NH+](Cc2ncnn2CC(F)F)CC1 ZINC000647812188 390179484 /nfs/dbraw/zinc/17/94/84/390179484.db2.gz HZGMXYWCIROSOX-UHFFFAOYSA-N 2 2 259.304 0.714 20 0 CCADLP C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)CCn1cc[nH+]c1 ZINC000647823075 390181891 /nfs/dbraw/zinc/18/18/91/390181891.db2.gz CJEYQTKOAGFKLV-UONOGXRCSA-N 2 2 292.383 0.595 20 0 CCADLP C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)CCn1cc[nH+]c1 ZINC000647823075 390181892 /nfs/dbraw/zinc/18/18/92/390181892.db2.gz CJEYQTKOAGFKLV-UONOGXRCSA-N 2 2 292.383 0.595 20 0 CCADLP Cc1noc([C@@H](C)[N@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000647835022 390185942 /nfs/dbraw/zinc/18/59/42/390185942.db2.gz JLAOJKVRNXHYEL-SNVBAGLBSA-N 2 2 253.350 0.276 20 0 CCADLP Cc1noc([C@@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000647835022 390185946 /nfs/dbraw/zinc/18/59/46/390185946.db2.gz JLAOJKVRNXHYEL-SNVBAGLBSA-N 2 2 253.350 0.276 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493433153 390125587 /nfs/dbraw/zinc/12/55/87/390125587.db2.gz LZKSGEBUJOASFM-URWSZGRFSA-N 2 2 280.372 0.632 20 0 CCADLP COCC[N@H+](C)CCC[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000578997175 390132925 /nfs/dbraw/zinc/13/29/25/390132925.db2.gz FFXHRGYOECJBCT-SNVBAGLBSA-N 2 2 272.311 0.858 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000578997175 390132926 /nfs/dbraw/zinc/13/29/26/390132926.db2.gz FFXHRGYOECJBCT-SNVBAGLBSA-N 2 2 272.311 0.858 20 0 CCADLP C[NH+](C)C1CN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000535018753 390135442 /nfs/dbraw/zinc/13/54/42/390135442.db2.gz YQYHPNNMRDBMJS-UHFFFAOYSA-N 2 2 272.312 0.048 20 0 CCADLP Cc1[nH+]ccn1CCN1CC[NH+](C[C@H](C)O)CC1 ZINC000494443311 390173567 /nfs/dbraw/zinc/17/35/67/390173567.db2.gz IDBAUJLPLSUQAR-LBPRGKRZSA-N 2 2 252.362 0.190 20 0 CCADLP C[C@H](O)C[C@H](C)[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000579473471 390176609 /nfs/dbraw/zinc/17/66/09/390176609.db2.gz WMOOWKFTSGKZBD-YHQUGGNUSA-N 2 2 274.405 0.206 20 0 CCADLP C[C@H](O)C[C@H](C)[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000579473471 390176613 /nfs/dbraw/zinc/17/66/13/390176613.db2.gz WMOOWKFTSGKZBD-YHQUGGNUSA-N 2 2 274.405 0.206 20 0 CCADLP O=C(N1CCCC1)N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647874247 390202464 /nfs/dbraw/zinc/20/24/64/390202464.db2.gz KXJIWLBRWCLYAE-CYBMUJFWSA-N 2 2 266.389 0.429 20 0 CCADLP c1cn2c([nH+]1)CC[C@@H](CNc1[nH+]cnc3c1OCCN3)C2 ZINC000647879089 390204931 /nfs/dbraw/zinc/20/49/31/390204931.db2.gz MTZUASQXHGJGJD-JTQLQIEISA-N 2 2 286.339 0.574 20 0 CCADLP c1cn2c([nH+]1)CC[C@@H](CNc1nc[nH+]c3c1OCCN3)C2 ZINC000647879089 390204936 /nfs/dbraw/zinc/20/49/36/390204936.db2.gz MTZUASQXHGJGJD-JTQLQIEISA-N 2 2 286.339 0.574 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000579775193 390207985 /nfs/dbraw/zinc/20/79/85/390207985.db2.gz DDTADDOOORCKFY-LLVKDONJSA-N 2 2 288.355 0.771 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000579775193 390207987 /nfs/dbraw/zinc/20/79/87/390207987.db2.gz DDTADDOOORCKFY-LLVKDONJSA-N 2 2 288.355 0.771 20 0 CCADLP C[C@H](c1nnnn1C1CC1)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000647906691 390213994 /nfs/dbraw/zinc/21/39/94/390213994.db2.gz LIAQRJBIOKAHNS-AEJSXWLSSA-N 2 2 250.350 0.738 20 0 CCADLP C[C@H](c1nnnn1C1CC1)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000647906691 390213996 /nfs/dbraw/zinc/21/39/96/390213996.db2.gz LIAQRJBIOKAHNS-AEJSXWLSSA-N 2 2 250.350 0.738 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)N2CCn3c[nH+]cc3C2)CC1 ZINC000647938249 390223264 /nfs/dbraw/zinc/22/32/64/390223264.db2.gz WPPAGOUNIRPZRG-ZDUSSCGKSA-N 2 2 291.399 0.251 20 0 CCADLP CCc1noc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])n1 ZINC000647942378 390223974 /nfs/dbraw/zinc/22/39/74/390223974.db2.gz JHGQSDFMGQKKPW-NSHDSACASA-N 2 2 295.387 0.452 20 0 CCADLP CCc1noc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])n1 ZINC000647942378 390223976 /nfs/dbraw/zinc/22/39/76/390223976.db2.gz JHGQSDFMGQKKPW-NSHDSACASA-N 2 2 295.387 0.452 20 0 CCADLP CC(C)C(=O)NC1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000647958192 390226985 /nfs/dbraw/zinc/22/69/85/390226985.db2.gz FZRZMRQMNJHMIR-OAHLLOKOSA-N 2 2 299.459 0.924 20 0 CCADLP CC(C)C(=O)NC1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000647958192 390226987 /nfs/dbraw/zinc/22/69/87/390226987.db2.gz FZRZMRQMNJHMIR-OAHLLOKOSA-N 2 2 299.459 0.924 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000494686192 390192455 /nfs/dbraw/zinc/19/24/55/390192455.db2.gz MYFSTNDDYFPKPR-GRYCIOLGSA-N 2 2 257.378 0.195 20 0 CCADLP C[C@H](CNC(=O)CC[C@@H]1CCC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000494700828 390194912 /nfs/dbraw/zinc/19/49/12/390194912.db2.gz XMTRWBKIDHLEJD-KGLIPLIRSA-N 2 2 282.432 0.271 20 0 CCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000579660026 390194908 /nfs/dbraw/zinc/19/49/08/390194908.db2.gz JIVIDNMQOYONHE-LBPRGKRZSA-N 2 2 250.346 0.683 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000579660026 390194911 /nfs/dbraw/zinc/19/49/11/390194911.db2.gz JIVIDNMQOYONHE-LBPRGKRZSA-N 2 2 250.346 0.683 20 0 CCADLP NC(=O)CC[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000644514923 390241922 /nfs/dbraw/zinc/24/19/22/390241922.db2.gz NPHSFNZULFHKPR-UHFFFAOYSA-N 2 2 258.325 0.896 20 0 CCADLP CC[N@@H+]1CCN(C(=O)C[NH+]2CC(C)(C)C2)[C@@H](C)C1 ZINC000580215385 390231261 /nfs/dbraw/zinc/23/12/61/390231261.db2.gz WGTYTGMPFHHPIP-LBPRGKRZSA-N 2 2 253.390 0.881 20 0 CCADLP CC[N@H+]1CCN(C(=O)C[NH+]2CC(C)(C)C2)[C@@H](C)C1 ZINC000580215385 390231264 /nfs/dbraw/zinc/23/12/64/390231264.db2.gz WGTYTGMPFHHPIP-LBPRGKRZSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@@H](O)C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000644524698 390245053 /nfs/dbraw/zinc/24/50/53/390245053.db2.gz ZUWPFSDZTJMTEY-CYBMUJFWSA-N 2 2 264.369 0.989 20 0 CCADLP CC[C@@H](O)C[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000644533913 390246754 /nfs/dbraw/zinc/24/67/54/390246754.db2.gz SFJAEUPHZWEAGS-MRXNPFEDSA-N 3 2 292.427 0.954 20 0 CCADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000648039755 390260228 /nfs/dbraw/zinc/26/02/28/390260228.db2.gz SVQGJNQROZIOKN-KBPBESRZSA-N 2 2 293.415 0.361 20 0 CCADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000648039755 390260231 /nfs/dbraw/zinc/26/02/31/390260231.db2.gz SVQGJNQROZIOKN-KBPBESRZSA-N 2 2 293.415 0.361 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCc2ccn(C)n2)C[C@H](C)O1 ZINC000644622273 390268056 /nfs/dbraw/zinc/26/80/56/390268056.db2.gz IACKIYYDQPISDX-GUTXKFCHSA-N 2 2 296.415 0.022 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCc2ccn(C)n2)C[C@H](C)O1 ZINC000644622273 390268059 /nfs/dbraw/zinc/26/80/59/390268059.db2.gz IACKIYYDQPISDX-GUTXKFCHSA-N 2 2 296.415 0.022 20 0 CCADLP C[C@@H](CC(=O)NC[C@H]1C[NH2+]CCCO1)n1cc[nH+]c1 ZINC000582248374 390274500 /nfs/dbraw/zinc/27/45/00/390274500.db2.gz ATYSAPHNJGYJKA-NWDGAFQWSA-N 2 2 266.345 0.329 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN2CCOC[C@H]2C1 ZINC000543558640 390284892 /nfs/dbraw/zinc/28/48/92/390284892.db2.gz XZXDLKZONIEWOH-LSDHHAIUSA-N 2 2 267.417 0.877 20 0 CCADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN2CCOC[C@H]2C1 ZINC000543558640 390284897 /nfs/dbraw/zinc/28/48/97/390284897.db2.gz XZXDLKZONIEWOH-LSDHHAIUSA-N 2 2 267.417 0.877 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000543558640 390284899 /nfs/dbraw/zinc/28/48/99/390284899.db2.gz XZXDLKZONIEWOH-LSDHHAIUSA-N 2 2 267.417 0.877 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCN2CCOC[C@H]2C1 ZINC000543558640 390284903 /nfs/dbraw/zinc/28/49/03/390284903.db2.gz XZXDLKZONIEWOH-LSDHHAIUSA-N 2 2 267.417 0.877 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CCN1CC[NH+]2CCOC[C@H]2C1 ZINC000543558640 390284904 /nfs/dbraw/zinc/28/49/04/390284904.db2.gz XZXDLKZONIEWOH-LSDHHAIUSA-N 2 2 267.417 0.877 20 0 CCADLP C[N@H+]1CCCC[C@H]1CCN1CC[NH+]2CCOC[C@H]2C1 ZINC000543558640 390284909 /nfs/dbraw/zinc/28/49/09/390284909.db2.gz XZXDLKZONIEWOH-LSDHHAIUSA-N 2 2 267.417 0.877 20 0 CCADLP C[NH+]1CCCC[C@H]1CCN1CC[N@@H+]2CCOC[C@H]2C1 ZINC000543558640 390284913 /nfs/dbraw/zinc/28/49/13/390284913.db2.gz XZXDLKZONIEWOH-LSDHHAIUSA-N 2 2 267.417 0.877 20 0 CCADLP C[NH+]1CCCC[C@H]1CCN1CC[N@H+]2CCOC[C@H]2C1 ZINC000543558640 390284916 /nfs/dbraw/zinc/28/49/16/390284916.db2.gz XZXDLKZONIEWOH-LSDHHAIUSA-N 2 2 267.417 0.877 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[C@H]3C[NH+](C)C[C@H]32)CCO1 ZINC000644734707 390300149 /nfs/dbraw/zinc/30/01/49/390300149.db2.gz OQIJHIKCUMDTKY-HZSPNIEDSA-N 2 2 253.390 0.343 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[C@H]3C[NH+](C)C[C@H]32)CCO1 ZINC000644734707 390300150 /nfs/dbraw/zinc/30/01/50/390300150.db2.gz OQIJHIKCUMDTKY-HZSPNIEDSA-N 2 2 253.390 0.343 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[C@H]3C[N@H+](C)C[C@H]32)CCO1 ZINC000644734707 390300153 /nfs/dbraw/zinc/30/01/53/390300153.db2.gz OQIJHIKCUMDTKY-HZSPNIEDSA-N 2 2 253.390 0.343 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[C@H]3C[N@@H+](C)C[C@H]32)CCO1 ZINC000644734707 390300154 /nfs/dbraw/zinc/30/01/54/390300154.db2.gz OQIJHIKCUMDTKY-HZSPNIEDSA-N 2 2 253.390 0.343 20 0 CCADLP C[N@@H+]1C[C@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@H]2C1 ZINC000644813864 390320712 /nfs/dbraw/zinc/32/07/12/390320712.db2.gz DIJLDLZNTVQLLR-OLZOCXBDSA-N 2 2 262.357 0.826 20 0 CCADLP C[N@H+]1C[C@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@H]2C1 ZINC000644813864 390320715 /nfs/dbraw/zinc/32/07/15/390320715.db2.gz DIJLDLZNTVQLLR-OLZOCXBDSA-N 2 2 262.357 0.826 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000583876443 390320962 /nfs/dbraw/zinc/32/09/62/390320962.db2.gz RYWTXDRKNOIMIM-ZIAGYGMSSA-N 2 2 293.415 0.586 20 0 CCADLP C[C@@H]1CCCC[C@@H]1OCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000584468843 390347568 /nfs/dbraw/zinc/34/75/68/390347568.db2.gz VFDBWUWKYKIQGW-MCIONIFRSA-N 2 2 283.416 0.683 20 0 CCADLP C[C@@H]1CCCC[C@@H]1OCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000584468843 390347572 /nfs/dbraw/zinc/34/75/72/390347572.db2.gz VFDBWUWKYKIQGW-MCIONIFRSA-N 2 2 283.416 0.683 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[N@H+](C)C[C@H]2C)nc[nH+]1 ZINC000584516495 390351314 /nfs/dbraw/zinc/35/13/14/390351314.db2.gz RJWAUZKKWGQVCZ-MNOVXSKESA-N 2 2 265.361 0.410 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[N@@H+](C)C[C@H]2C)nc[nH+]1 ZINC000584516495 390351317 /nfs/dbraw/zinc/35/13/17/390351317.db2.gz RJWAUZKKWGQVCZ-MNOVXSKESA-N 2 2 265.361 0.410 20 0 CCADLP COC1(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000648756599 390401772 /nfs/dbraw/zinc/40/17/72/390401772.db2.gz DZLFFDPAQCYOAT-UHFFFAOYSA-N 2 2 295.427 0.840 20 0 CCADLP COC1(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000648780026 390407730 /nfs/dbraw/zinc/40/77/30/390407730.db2.gz QAJWDGRBWXMIKH-CQSZACIVSA-N 2 2 295.427 0.792 20 0 CCADLP COC1(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000648780026 390407731 /nfs/dbraw/zinc/40/77/31/390407731.db2.gz QAJWDGRBWXMIKH-CQSZACIVSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@H]1CN(c2cc[nH+]c(N(C)C)n2)CC[N@@H+]1CC(C)(C)O ZINC000548037398 390416205 /nfs/dbraw/zinc/41/62/05/390416205.db2.gz KTJSLCLQUVCDSP-LBPRGKRZSA-N 2 2 293.415 0.824 20 0 CCADLP C[C@H]1CN(c2cc[nH+]c(N(C)C)n2)CC[N@H+]1CC(C)(C)O ZINC000548037398 390416207 /nfs/dbraw/zinc/41/62/07/390416207.db2.gz KTJSLCLQUVCDSP-LBPRGKRZSA-N 2 2 293.415 0.824 20 0 CCADLP CC(C)(CNC(=O)[C@H]1[NH2+]CC1(C)C)[NH+]1CCOCC1 ZINC000645152062 390378771 /nfs/dbraw/zinc/37/87/71/390378771.db2.gz DXHWBRRCLZNCJT-LLVKDONJSA-N 2 2 269.389 0.211 20 0 CCADLP CC[N@@H+]1CC[C@H]2OCCN(CC[NH+]3CCOC[C@H]3C)[C@H]2C1 ZINC000645177797 390382618 /nfs/dbraw/zinc/38/26/18/390382618.db2.gz AFZQMPNASNITDN-OWCLPIDISA-N 2 2 297.443 0.502 20 0 CCADLP CC[N@H+]1CC[C@H]2OCCN(CC[NH+]3CCOC[C@H]3C)[C@H]2C1 ZINC000645177797 390382620 /nfs/dbraw/zinc/38/26/20/390382620.db2.gz AFZQMPNASNITDN-OWCLPIDISA-N 2 2 297.443 0.502 20 0 CCADLP CC[NH+]1CC[C@H]2OCCN(CC[N@@H+]3CCOC[C@H]3C)[C@H]2C1 ZINC000645177797 390382623 /nfs/dbraw/zinc/38/26/23/390382623.db2.gz AFZQMPNASNITDN-OWCLPIDISA-N 2 2 297.443 0.502 20 0 CCADLP CC[NH+]1CC[C@H]2OCCN(CC[N@H+]3CCOC[C@H]3C)[C@H]2C1 ZINC000645177797 390382626 /nfs/dbraw/zinc/38/26/26/390382626.db2.gz AFZQMPNASNITDN-OWCLPIDISA-N 2 2 297.443 0.502 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648736009 390397882 /nfs/dbraw/zinc/39/78/82/390397882.db2.gz FOVOBAUHXCHNBA-QJPTWQEYSA-N 2 2 250.346 0.728 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648736009 390397887 /nfs/dbraw/zinc/39/78/87/390397887.db2.gz FOVOBAUHXCHNBA-QJPTWQEYSA-N 2 2 250.346 0.728 20 0 CCADLP CC(C)OCC[C@H](O)C[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000519400887 390498946 /nfs/dbraw/zinc/49/89/46/390498946.db2.gz VMJBVRUOXHIFSM-CABCVRRESA-N 2 2 288.432 0.599 20 0 CCADLP CC(C)OCC[C@H](O)C[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000519400887 390498952 /nfs/dbraw/zinc/49/89/52/390498952.db2.gz VMJBVRUOXHIFSM-CABCVRRESA-N 2 2 288.432 0.599 20 0 CCADLP CCC(CC)(CO)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000565313432 390502295 /nfs/dbraw/zinc/50/22/95/390502295.db2.gz AEXWPFPBTLXVTC-UHFFFAOYSA-N 2 2 299.459 0.927 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)Cn1cc[nH+]c1 ZINC000519495306 390504052 /nfs/dbraw/zinc/50/40/52/390504052.db2.gz KRAKFAUSYIJKQG-UHFFFAOYSA-N 2 2 259.313 0.661 20 0 CCADLP OC[C@H](C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)Cc1ccco1 ZINC000643450964 390447106 /nfs/dbraw/zinc/44/71/06/390447106.db2.gz JYMUHEPTQHJJHF-APHBMKBZSA-N 2 2 294.395 0.787 20 0 CCADLP CC(C)[C@H]([NH2+][C@H](C)C[C@H]1COCC[NH2+]1)C(=O)N1CCCC1 ZINC000643470376 390450766 /nfs/dbraw/zinc/45/07/66/390450766.db2.gz KFAZAGZIZAPVID-ILXRZTDVSA-N 2 2 297.443 0.990 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000643472310 390451585 /nfs/dbraw/zinc/45/15/85/390451585.db2.gz VEZDMYUCMYBMBE-LSDHHAIUSA-N 3 2 288.395 0.495 20 0 CCADLP COC[C@H](CCC[NH3+])Nc1ccc(N(C)CCO)c[nH+]1 ZINC000643478658 390453284 /nfs/dbraw/zinc/45/32/84/390453284.db2.gz RUSQAMMTGCPRPC-LBPRGKRZSA-N 2 2 282.388 0.676 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cnccn3)C2)CC1 ZINC000555473631 390455559 /nfs/dbraw/zinc/45/55/59/390455559.db2.gz ZARSNVPVCCJBCT-HNNXBMFYSA-N 2 2 275.400 0.688 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnccn3)C2)CC1 ZINC000555473631 390455562 /nfs/dbraw/zinc/45/55/62/390455562.db2.gz ZARSNVPVCCJBCT-HNNXBMFYSA-N 2 2 275.400 0.688 20 0 CCADLP COCC[NH2+]CC[NH2+][C@H](C)c1cccc(-n2cnnn2)c1 ZINC000643516886 390458678 /nfs/dbraw/zinc/45/86/78/390458678.db2.gz JGKBBMJPIJUJHB-GFCCVEGCSA-N 2 2 290.371 0.549 20 0 CCADLP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000643529270 390460349 /nfs/dbraw/zinc/46/03/49/390460349.db2.gz XYTQXOYYPPQEOQ-MNOVXSKESA-N 2 2 285.413 0.935 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1C(C)(C)O ZINC000514795257 390469534 /nfs/dbraw/zinc/46/95/34/390469534.db2.gz BRAVQBILQAEYTC-OLZOCXBDSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1C(C)(C)O ZINC000514795257 390469539 /nfs/dbraw/zinc/46/95/39/390469539.db2.gz BRAVQBILQAEYTC-OLZOCXBDSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1C(C)(C)O ZINC000514795257 390469540 /nfs/dbraw/zinc/46/95/40/390469540.db2.gz BRAVQBILQAEYTC-OLZOCXBDSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1C(C)(C)O ZINC000514795257 390469546 /nfs/dbraw/zinc/46/95/46/390469546.db2.gz BRAVQBILQAEYTC-OLZOCXBDSA-N 2 2 274.405 0.161 20 0 CCADLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@@H+]([C@H]2COC[C@H]2O)C1 ZINC000556259025 390477132 /nfs/dbraw/zinc/47/71/32/390477132.db2.gz NMNUHWLGLSLRLL-FRRDWIJNSA-N 2 2 293.367 0.360 20 0 CCADLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@H+]([C@H]2COC[C@H]2O)C1 ZINC000556259025 390477134 /nfs/dbraw/zinc/47/71/34/390477134.db2.gz NMNUHWLGLSLRLL-FRRDWIJNSA-N 2 2 293.367 0.360 20 0 CCADLP Cc1ncsc1C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000566107352 390578575 /nfs/dbraw/zinc/57/85/75/390578575.db2.gz JPGVDDXADVIFSX-LLVKDONJSA-N 2 2 255.387 0.996 20 0 CCADLP Cc1ncsc1C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000566107352 390578577 /nfs/dbraw/zinc/57/85/77/390578577.db2.gz JPGVDDXADVIFSX-LLVKDONJSA-N 2 2 255.387 0.996 20 0 CCADLP Nc1cc[nH+]cc1C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000649321386 390579726 /nfs/dbraw/zinc/57/97/26/390579726.db2.gz VXPIIYFMDZVCIB-UONOGXRCSA-N 2 2 290.367 0.165 20 0 CCADLP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000649210138 390524184 /nfs/dbraw/zinc/52/41/84/390524184.db2.gz NWFLJKJGUUPPQE-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000649210138 390524186 /nfs/dbraw/zinc/52/41/86/390524186.db2.gz NWFLJKJGUUPPQE-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP CN(CCC(=O)NCc1c[nH+]cn1C)c1cc[nH+]cc1 ZINC000565575771 390525401 /nfs/dbraw/zinc/52/54/01/390525401.db2.gz RMXZWQCLFBQNMN-UHFFFAOYSA-N 2 2 273.340 0.958 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@H]1C[N@H+](C)CCO1 ZINC000649214241 390525881 /nfs/dbraw/zinc/52/58/81/390525881.db2.gz RCSGEEBIZCBJRA-OUCADQQQSA-N 2 2 292.383 0.281 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@H]1C[N@@H+](C)CCO1 ZINC000649214241 390525885 /nfs/dbraw/zinc/52/58/85/390525885.db2.gz RCSGEEBIZCBJRA-OUCADQQQSA-N 2 2 292.383 0.281 20 0 CCADLP C[C@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000645937280 390535682 /nfs/dbraw/zinc/53/56/82/390535682.db2.gz GXSBIWVDIHJTJC-SRVKXCTJSA-N 2 2 269.389 0.210 20 0 CCADLP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000645943992 390542511 /nfs/dbraw/zinc/54/25/11/390542511.db2.gz CAVKYMAJFKLUFA-CHWSQXEVSA-N 2 2 291.399 0.062 20 0 CCADLP NC(=O)CC[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000565769396 390542714 /nfs/dbraw/zinc/54/27/14/390542714.db2.gz HJJRCEQEFRIKKR-UHFFFAOYSA-N 2 2 258.325 0.896 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000649278799 390545649 /nfs/dbraw/zinc/54/56/49/390545649.db2.gz CQDRLYYPHWDKCL-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCC(N2CN=NC2=O)CC1 ZINC000519803947 390545867 /nfs/dbraw/zinc/54/58/67/390545867.db2.gz ZLKSIOKSASAIJJ-UHFFFAOYSA-N 2 2 276.344 0.826 20 0 CCADLP C[N@H+]1CCN(C(=O)NC2CCSCC2)[C@H](C[NH3+])C1 ZINC000519812498 390547150 /nfs/dbraw/zinc/54/71/50/390547150.db2.gz WQKMVVQTXXAXEL-LLVKDONJSA-N 2 2 272.418 0.166 20 0 CCADLP O=C(C[C@H]1COCC[NH2+]1)NCC[NH+]1Cc2ccccc2C1 ZINC000649306104 390565703 /nfs/dbraw/zinc/56/57/03/390565703.db2.gz AKWSGZGWYPGKQS-HNNXBMFYSA-N 2 2 289.379 0.497 20 0 CCADLP COC[C@]1(C(=O)Nc2c[nH+]ccc2OC)CCC[NH2+]1 ZINC000649312121 390570832 /nfs/dbraw/zinc/57/08/32/390570832.db2.gz RJCULORQMDVSMU-ZDUSSCGKSA-N 2 2 265.313 0.797 20 0 CCADLP C[NH2+][C@H]1CC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000566069183 390572975 /nfs/dbraw/zinc/57/29/75/390572975.db2.gz YCYXHJYPJOOTGL-HNNXBMFYSA-N 3 2 268.449 0.696 20 0 CCADLP O[C@@H]1CCC[C@H]1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000566088891 390575331 /nfs/dbraw/zinc/57/53/31/390575331.db2.gz HDARSJHFDNPWGL-RFQIPJPRSA-N 2 2 254.374 0.504 20 0 CCADLP C[C@H]([NH2+]CCc1nnnn1-c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000566088721 390575605 /nfs/dbraw/zinc/57/56/05/390575605.db2.gz BHKOWRBSQNDMRR-JSGCOSHPSA-N 2 2 286.383 0.935 20 0 CCADLP C[C@@H](NC(=O)NCC[C@H]1CCC[NH2+]1)[C@@H](C)[NH+]1CCOCC1 ZINC000521985460 390617188 /nfs/dbraw/zinc/61/71/88/390617188.db2.gz HPAGENGTPKTBIZ-MGPQQGTHSA-N 2 2 298.431 0.537 20 0 CCADLP [NH3+]Cc1ccc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)o1 ZINC000646171645 390623547 /nfs/dbraw/zinc/62/35/47/390623547.db2.gz YDCGWLXRJKFBGR-LBPRGKRZSA-N 2 2 293.367 0.533 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCC(C)(C)CO)C[C@H](C)O1 ZINC000566561065 390628867 /nfs/dbraw/zinc/62/88/67/390628867.db2.gz DGDMDDFNENRPNQ-MJBXVCDLSA-N 2 2 288.432 0.455 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCC(C)(C)CO)C[C@H](C)O1 ZINC000566561065 390628871 /nfs/dbraw/zinc/62/88/71/390628871.db2.gz DGDMDDFNENRPNQ-MJBXVCDLSA-N 2 2 288.432 0.455 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)[C@@H](C[NH3+])C1 ZINC000566668175 390636798 /nfs/dbraw/zinc/63/67/98/390636798.db2.gz ZYAKMVSBJZBAPF-DGAVXFQQSA-N 2 2 296.415 0.228 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)[C@@H](C[NH3+])C1 ZINC000566668175 390636800 /nfs/dbraw/zinc/63/68/00/390636800.db2.gz ZYAKMVSBJZBAPF-DGAVXFQQSA-N 2 2 296.415 0.228 20 0 CCADLP C[C@H](CCCO)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000566737907 390643334 /nfs/dbraw/zinc/64/33/34/390643334.db2.gz OIEPCTGZAREAIR-YIYPIFLZSA-N 2 2 274.405 0.207 20 0 CCADLP C[C@H](CCCO)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000566737907 390643335 /nfs/dbraw/zinc/64/33/35/390643335.db2.gz OIEPCTGZAREAIR-YIYPIFLZSA-N 2 2 274.405 0.207 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CC2(CCO)CC2)C[C@H](C)O1 ZINC000566796712 390648815 /nfs/dbraw/zinc/64/88/15/390648815.db2.gz AUNPXKWREFNOLI-MJBXVCDLSA-N 2 2 286.416 0.209 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CC2(CCO)CC2)C[C@H](C)O1 ZINC000566796712 390648817 /nfs/dbraw/zinc/64/88/17/390648817.db2.gz AUNPXKWREFNOLI-MJBXVCDLSA-N 2 2 286.416 0.209 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@H](F)C2)[C@H](C[NH3+])C1 ZINC000566854379 390653603 /nfs/dbraw/zinc/65/36/03/390653603.db2.gz LJTXJNXDQYFXJJ-GRYCIOLGSA-N 2 2 257.353 0.616 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2CCC[C@H](F)C2)[C@H](C[NH3+])C1 ZINC000566854379 390653609 /nfs/dbraw/zinc/65/36/09/390653609.db2.gz LJTXJNXDQYFXJJ-GRYCIOLGSA-N 2 2 257.353 0.616 20 0 CCADLP O=C(C[C@@H]1CC[NH2+]C1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000646264972 390654127 /nfs/dbraw/zinc/65/41/27/390654127.db2.gz HAJZIBWZZNKCMC-QWHCGFSZSA-N 2 2 274.368 0.776 20 0 CCADLP CCN(CC)C(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646101954 390596923 /nfs/dbraw/zinc/59/69/23/390596923.db2.gz AIDFZMJLSZXNLN-UHFFFAOYSA-N 2 2 283.416 0.651 20 0 CCADLP CCN(CC)C(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646101954 390596925 /nfs/dbraw/zinc/59/69/25/390596925.db2.gz AIDFZMJLSZXNLN-UHFFFAOYSA-N 2 2 283.416 0.651 20 0 CCADLP C[NH+]1CCC2(CC1)C[N@H+](CCn1cc[nH+]c1)CCO2 ZINC000646105745 390599077 /nfs/dbraw/zinc/59/90/77/390599077.db2.gz GIJHBZRGNJTFCN-UHFFFAOYSA-N 3 2 264.373 0.680 20 0 CCADLP C[NH+]1CCC2(CC1)C[N@@H+](CCn1cc[nH+]c1)CCO2 ZINC000646105745 390599080 /nfs/dbraw/zinc/59/90/80/390599080.db2.gz GIJHBZRGNJTFCN-UHFFFAOYSA-N 3 2 264.373 0.680 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1(CC(N)=O)CC1 ZINC000567603855 390705921 /nfs/dbraw/zinc/70/59/21/390705921.db2.gz IXKMFGAPZFYQPZ-ZYHUDNBSSA-N 2 2 251.374 0.714 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1(CC(N)=O)CC1 ZINC000567603855 390705923 /nfs/dbraw/zinc/70/59/23/390705923.db2.gz IXKMFGAPZFYQPZ-ZYHUDNBSSA-N 2 2 251.374 0.714 20 0 CCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@H](C)C[NH3+] ZINC000570835629 390720699 /nfs/dbraw/zinc/72/06/99/390720699.db2.gz OYXYMLCXWPPLID-JTQLQIEISA-N 2 2 278.356 0.760 20 0 CCADLP NC(=O)c1c[nH+]ccc1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000567291830 390691762 /nfs/dbraw/zinc/69/17/62/390691762.db2.gz UJCUEQRBDJUWNE-UHFFFAOYSA-N 2 2 272.312 0.230 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@](C)([NH3+])c2ccccc2)CCO1 ZINC000572003272 390763580 /nfs/dbraw/zinc/76/35/80/390763580.db2.gz MAPXUMFDRZTVIR-XJKSGUPXSA-N 2 2 291.395 0.697 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@](C)([NH3+])c2ccccc2)CCO1 ZINC000572003272 390763581 /nfs/dbraw/zinc/76/35/81/390763581.db2.gz MAPXUMFDRZTVIR-XJKSGUPXSA-N 2 2 291.395 0.697 20 0 CCADLP NC(=O)CC[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000572112753 390767735 /nfs/dbraw/zinc/76/77/35/390767735.db2.gz YKAAGKXBTBECMV-UHFFFAOYSA-N 2 2 258.325 0.896 20 0 CCADLP O=C(NC[C@@H]1COCC[NH2+]1)Nc1ccc2[nH+]ccn2c1 ZINC000528682284 390767758 /nfs/dbraw/zinc/76/77/58/390767758.db2.gz YXMALECWOHUITF-LLVKDONJSA-N 2 2 275.312 0.444 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000528684048 390768649 /nfs/dbraw/zinc/76/86/49/390768649.db2.gz WEPACXLHQAYLDJ-CQSZACIVSA-N 2 2 292.383 0.515 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000572235366 390773356 /nfs/dbraw/zinc/77/33/56/390773356.db2.gz QEXIVNZVBOPLJG-MRTMQBJTSA-N 2 2 254.359 0.257 20 0 CCADLP O[C@@H](C[NH2+]CCc1cn2ccccc2[nH+]1)Cn1cccn1 ZINC000572274532 390776248 /nfs/dbraw/zinc/77/62/48/390776248.db2.gz FXSCHLXKYORUMW-AWEZNQCLSA-N 2 2 285.351 0.724 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CO1 ZINC000647178040 390783172 /nfs/dbraw/zinc/78/31/72/390783172.db2.gz XWHLVFQQSYPGIZ-MGPQQGTHSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CO1 ZINC000647178040 390783174 /nfs/dbraw/zinc/78/31/74/390783174.db2.gz XWHLVFQQSYPGIZ-MGPQQGTHSA-N 2 2 283.416 0.696 20 0 CCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000572541519 390789199 /nfs/dbraw/zinc/78/91/99/390789199.db2.gz BUBZJNCMDGJOQM-ZNMIVQPWSA-N 3 2 296.459 0.789 20 0 CCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000572541519 390789200 /nfs/dbraw/zinc/78/92/00/390789200.db2.gz BUBZJNCMDGJOQM-ZNMIVQPWSA-N 3 2 296.459 0.789 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCCCCn1cc[nH+]c1 ZINC000572585446 390790620 /nfs/dbraw/zinc/79/06/20/390790620.db2.gz OGBWMEJGCDUSQS-CHWSQXEVSA-N 2 2 279.388 0.961 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000572605641 390792263 /nfs/dbraw/zinc/79/22/63/390792263.db2.gz SBVGBDHMRZOOEI-HIFRSBDPSA-N 2 2 297.443 0.896 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000572605641 390792264 /nfs/dbraw/zinc/79/22/64/390792264.db2.gz SBVGBDHMRZOOEI-HIFRSBDPSA-N 2 2 297.443 0.896 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@@H](C)CN2CCOCC2)n1C ZINC000571419210 390734891 /nfs/dbraw/zinc/73/48/91/390734891.db2.gz SSDBQYOEAKDYGQ-NSHDSACASA-N 2 2 252.362 0.539 20 0 CCADLP CCC[N@H+](CC)C[C@H](C)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000571552581 390740985 /nfs/dbraw/zinc/74/09/85/390740985.db2.gz STGOSSWKLJQEHU-LSDHHAIUSA-N 2 2 287.448 0.390 20 0 CCADLP CCC[N@@H+](CC)C[C@H](C)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000571552581 390740987 /nfs/dbraw/zinc/74/09/87/390740987.db2.gz STGOSSWKLJQEHU-LSDHHAIUSA-N 2 2 287.448 0.390 20 0 CCADLP CC[N@H+](C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000578016012 390859118 /nfs/dbraw/zinc/85/91/18/390859118.db2.gz HSHNFAOBLKYZRN-NSHDSACASA-N 2 2 250.346 0.513 20 0 CCADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000578068256 390862394 /nfs/dbraw/zinc/86/23/94/390862394.db2.gz VSJQZSYQAWHUKS-GUBZILKMSA-N 2 2 259.300 0.052 20 0 CCADLP C[C@@H](NC(=O)N[C@@H](C)C[C@H](C)[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000578320837 390876563 /nfs/dbraw/zinc/87/65/63/390876563.db2.gz FWTOETVYZWWFTM-RVMXOQNASA-N 2 2 286.420 0.521 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529349483 390816264 /nfs/dbraw/zinc/81/62/64/390816264.db2.gz MGMBKOAVCRNDOH-NSHDSACASA-N 2 2 263.345 0.836 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529349483 390816266 /nfs/dbraw/zinc/81/62/66/390816266.db2.gz MGMBKOAVCRNDOH-NSHDSACASA-N 2 2 263.345 0.836 20 0 CCADLP C[C@@H]1C[N@H+](CCC[NH2+]C[C@H](O)C[NH+](C)C2CC2)CCCO1 ZINC000572993104 390817351 /nfs/dbraw/zinc/81/73/51/390817351.db2.gz NXCZDIJUXXYXPP-ZBFHGGJFSA-N 3 2 299.459 0.532 20 0 CCADLP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H](O)C[NH+](C)C2CC2)CCCO1 ZINC000572993104 390817354 /nfs/dbraw/zinc/81/73/54/390817354.db2.gz NXCZDIJUXXYXPP-ZBFHGGJFSA-N 3 2 299.459 0.532 20 0 CCADLP C[C@@H]1C[NH+](CCC[NH2+]C[C@H](O)C[N@H+](C)C2CC2)CCCO1 ZINC000572993104 390817357 /nfs/dbraw/zinc/81/73/57/390817357.db2.gz NXCZDIJUXXYXPP-ZBFHGGJFSA-N 3 2 299.459 0.532 20 0 CCADLP C[C@@H]1C[NH+](CCC[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CCCO1 ZINC000572993104 390817360 /nfs/dbraw/zinc/81/73/60/390817360.db2.gz NXCZDIJUXXYXPP-ZBFHGGJFSA-N 3 2 299.459 0.532 20 0 CCADLP COC[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccco1 ZINC000574906417 390822833 /nfs/dbraw/zinc/82/28/33/390822833.db2.gz BUKZQKCXYKAIBL-RYUDHWBXSA-N 2 2 296.371 0.251 20 0 CCADLP COC[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccco1 ZINC000574906417 390822836 /nfs/dbraw/zinc/82/28/36/390822836.db2.gz BUKZQKCXYKAIBL-RYUDHWBXSA-N 2 2 296.371 0.251 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CN(Cc2c[nH+]c3ccccn23)CCO1 ZINC000647508050 390826480 /nfs/dbraw/zinc/82/64/80/390826480.db2.gz FTDGJOIZUOZVCE-YPMHNXCESA-N 2 2 260.341 0.882 20 0 CCADLP C[C@]1(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)CC[NH2+]C1 ZINC000647518117 390829503 /nfs/dbraw/zinc/82/95/03/390829503.db2.gz FOOCYKFJNSLHHA-MJBXVCDLSA-N 2 2 254.374 0.866 20 0 CCADLP C[C@]1(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)CC[NH2+]C1 ZINC000647518117 390829504 /nfs/dbraw/zinc/82/95/04/390829504.db2.gz FOOCYKFJNSLHHA-MJBXVCDLSA-N 2 2 254.374 0.866 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000647632766 390854202 /nfs/dbraw/zinc/85/42/02/390854202.db2.gz QVTVERCZOAPZTL-STQMWFEESA-N 2 2 280.347 0.918 20 0 CCADLP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000532749315 390885181 /nfs/dbraw/zinc/88/51/81/390885181.db2.gz XIBGURGBRSBZJD-CHWSQXEVSA-N 2 2 276.384 0.904 20 0 CCADLP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000532749315 390885183 /nfs/dbraw/zinc/88/51/83/390885183.db2.gz XIBGURGBRSBZJD-CHWSQXEVSA-N 2 2 276.384 0.904 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)C12CCCC2 ZINC000578761554 390900873 /nfs/dbraw/zinc/90/08/73/390900873.db2.gz JIRNEWKBKMGLRT-UONOGXRCSA-N 2 2 286.416 0.305 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)C12CCCC2 ZINC000578761554 390900875 /nfs/dbraw/zinc/90/08/75/390900875.db2.gz JIRNEWKBKMGLRT-UONOGXRCSA-N 2 2 286.416 0.305 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000578761554 390900877 /nfs/dbraw/zinc/90/08/77/390900877.db2.gz JIRNEWKBKMGLRT-UONOGXRCSA-N 2 2 286.416 0.305 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000578761554 390900879 /nfs/dbraw/zinc/90/08/79/390900879.db2.gz JIRNEWKBKMGLRT-UONOGXRCSA-N 2 2 286.416 0.305 20 0 CCADLP C[C@H](C[NH3+])[N@H+](C)CCn1cnc2ccccc2c1=O ZINC000578893068 390906634 /nfs/dbraw/zinc/90/66/34/390906634.db2.gz VFVFKXHQLUDARB-LLVKDONJSA-N 2 2 260.341 0.676 20 0 CCADLP C[C@H](C[NH3+])[N@@H+](C)CCn1cnc2ccccc2c1=O ZINC000578893068 390906637 /nfs/dbraw/zinc/90/66/37/390906637.db2.gz VFVFKXHQLUDARB-LLVKDONJSA-N 2 2 260.341 0.676 20 0 CCADLP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)CO2 ZINC000453105966 533267064 /nfs/dbraw/zinc/26/70/64/533267064.db2.gz XTWHFRDEKRCXFZ-CHWSQXEVSA-N 2 2 280.368 0.511 20 0 CCADLP COC(=O)CC1CC([NH2+]C[C@H]2C[N@H+](C)CCN2C)C1 ZINC000424316923 533326262 /nfs/dbraw/zinc/32/62/62/533326262.db2.gz QOTKSSMBNMPWSR-BPCQOVAHSA-N 2 2 269.389 0.164 20 0 CCADLP COC(=O)CC1CC([NH2+]C[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000424316923 533326270 /nfs/dbraw/zinc/32/62/70/533326270.db2.gz QOTKSSMBNMPWSR-BPCQOVAHSA-N 2 2 269.389 0.164 20 0 CCADLP COC(=O)[C@]1(C)CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000412103508 533586682 /nfs/dbraw/zinc/58/66/82/533586682.db2.gz LEKYQCYPKRGSIW-OAHLLOKOSA-N 2 2 297.399 0.036 20 0 CCADLP COC(=O)[C@]1(C)CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000412103508 533586695 /nfs/dbraw/zinc/58/66/95/533586695.db2.gz LEKYQCYPKRGSIW-OAHLLOKOSA-N 2 2 297.399 0.036 20 0 CCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H](C)[NH2+]C2CC2)CC1 ZINC000449142111 533598694 /nfs/dbraw/zinc/59/86/94/533598694.db2.gz NJNDYROXBUHGBB-NEPJUHHUSA-N 2 2 297.399 0.223 20 0 CCADLP COC(=O)COC[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000449164720 533549174 /nfs/dbraw/zinc/54/91/74/533549174.db2.gz QTBSNQMFNFTXDO-STQMWFEESA-N 2 2 288.388 0.122 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000528735310 285433393 /nfs/dbraw/zinc/43/33/93/285433393.db2.gz GTZUGWLHASLXRE-UHFFFAOYSA-N 2 2 294.399 0.761 20 0 CCADLP Cc1cc(CNC(=O)CCOC2C[NH2+]C2)cc(C)[nH+]1 ZINC000424054652 533647875 /nfs/dbraw/zinc/64/78/75/533647875.db2.gz HHMZXIMWRCYNTD-UHFFFAOYSA-N 2 2 263.341 0.693 20 0 CCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000529292054 285439709 /nfs/dbraw/zinc/43/97/09/285439709.db2.gz JFGSHITWEZDXRR-ZIAGYGMSSA-N 2 2 298.431 0.347 20 0 CCADLP C[NH+](C)[C@@H](C(=O)NCC(F)(F)C[NH3+])c1ccccc1 ZINC000190240251 130077214 /nfs/dbraw/zinc/07/72/14/130077214.db2.gz RVYZIONJFXISQD-LLVKDONJSA-N 2 2 271.311 1.000 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCCn2cc(CO)nn2)C[N@@H+]1C1CC1 ZINC000353221319 130090547 /nfs/dbraw/zinc/09/05/47/130090547.db2.gz FKEPNFSVJMKHFQ-NWDGAFQWSA-N 2 2 279.388 0.375 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCCn2cc(CO)nn2)C[N@H+]1C1CC1 ZINC000353221319 130090550 /nfs/dbraw/zinc/09/05/50/130090550.db2.gz FKEPNFSVJMKHFQ-NWDGAFQWSA-N 2 2 279.388 0.375 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)C[NH3+])c1c(F)cccc1F ZINC000237136678 131006575 /nfs/dbraw/zinc/00/65/75/131006575.db2.gz NRUAFSBHKSGBTB-JTQLQIEISA-N 2 2 257.284 0.642 20 0 CCADLP C[NH2+]CC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000237245244 131017399 /nfs/dbraw/zinc/01/73/99/131017399.db2.gz VLQPYXGHXMCIRZ-LLVKDONJSA-N 2 2 278.356 0.142 20 0 CCADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1COCC[NH2+]1 ZINC000237719965 131054622 /nfs/dbraw/zinc/05/46/22/131054622.db2.gz XHACSYOHOZQONS-GFCCVEGCSA-N 2 2 290.298 0.938 20 0 CCADLP [NH3+]CCCCNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000238023297 131072395 /nfs/dbraw/zinc/07/23/95/131072395.db2.gz MUTTYPUJOBAPGQ-UHFFFAOYSA-N 2 2 291.399 0.059 20 0 CCADLP C[C@H]1C[N@H+](Cc2cc(=O)n3ccsc3n2)CC[C@H]1[NH3+] ZINC000251697074 131130483 /nfs/dbraw/zinc/13/04/83/131130483.db2.gz IQBIRCPJKNMNTL-GXSJLCMTSA-N 2 2 278.381 0.925 20 0 CCADLP C[C@H]1C[N@@H+](Cc2cc(=O)n3ccsc3n2)CC[C@H]1[NH3+] ZINC000251697074 131130484 /nfs/dbraw/zinc/13/04/84/131130484.db2.gz IQBIRCPJKNMNTL-GXSJLCMTSA-N 2 2 278.381 0.925 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)NC(=O)NC2CCCCC2)CC[C@H]1[NH3+] ZINC000251788854 131131228 /nfs/dbraw/zinc/13/12/28/131131228.db2.gz NHZKCZKOSNETEG-DGCLKSJQSA-N 2 2 296.415 0.814 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CCCCC2)CC[C@H]1[NH3+] ZINC000251788854 131131230 /nfs/dbraw/zinc/13/12/30/131131230.db2.gz NHZKCZKOSNETEG-DGCLKSJQSA-N 2 2 296.415 0.814 20 0 CCADLP C[C@H]1CCC[N@H+](CCn2nc3ccccn3c2=O)[C@H]1C[NH3+] ZINC000252198990 131133709 /nfs/dbraw/zinc/13/37/09/131133709.db2.gz SWHBEXWKIATPAP-STQMWFEESA-N 2 2 289.383 0.555 20 0 CCADLP C[C@H]1CCC[N@@H+](CCn2nc3ccccn3c2=O)[C@H]1C[NH3+] ZINC000252198990 131133710 /nfs/dbraw/zinc/13/37/10/131133710.db2.gz SWHBEXWKIATPAP-STQMWFEESA-N 2 2 289.383 0.555 20 0 CCADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@H](C)C[NH3+])CC1 ZINC000262342481 131213347 /nfs/dbraw/zinc/21/33/47/131213347.db2.gz IAIYXHZVYHMSFZ-LLVKDONJSA-N 2 2 293.415 0.276 20 0 CCADLP O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262457422 131222297 /nfs/dbraw/zinc/22/22/97/131222297.db2.gz FLFPZBIHOOIKHC-NWDGAFQWSA-N 2 2 272.308 0.738 20 0 CCADLP C[C@@H](C(=O)NCCCNc1cccc[nH+]1)[C@H](C)[NH3+] ZINC000262532320 131230174 /nfs/dbraw/zinc/23/01/74/131230174.db2.gz OGPQTHLOOCCSLX-MNOVXSKESA-N 2 2 250.346 0.983 20 0 CCADLP Cn1cc[nH+]c1-c1cccc(NC(=O)[C@H]2C[C@H](O)C[NH2+]2)c1 ZINC000262559656 131232668 /nfs/dbraw/zinc/23/26/68/131232668.db2.gz VYJUCUOESVVXGU-QWHCGFSZSA-N 2 2 286.335 0.748 20 0 CCADLP C[C@@H](CNC(=O)C[NH2+]CC1CC1)Cn1cc[nH+]c1 ZINC000262624045 131242857 /nfs/dbraw/zinc/24/28/57/131242857.db2.gz FQTCMUSHKULVSS-NSHDSACASA-N 2 2 250.346 0.635 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000262761199 131259533 /nfs/dbraw/zinc/25/95/33/131259533.db2.gz FXHGLBRHLXMANG-ZDUSSCGKSA-N 2 2 292.383 0.662 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)n1C ZINC000657707907 413052654 /nfs/dbraw/zinc/05/26/54/413052654.db2.gz JFXRJXDKFBNHTQ-NEPJUHHUSA-N 2 2 264.373 0.879 20 0 CCADLP O[C@H](C[NH2+]Cc1cn2cccnc2n1)C[NH+]1CCCC1 ZINC000268201282 131976534 /nfs/dbraw/zinc/97/65/34/131976534.db2.gz YXHRIMIWGLRIHF-CYBMUJFWSA-N 2 2 275.356 0.276 20 0 CCADLP CC(C)[C@@H](C(=O)N[C@H](C)Cn1cc[nH+]c1)[NH+](C)C ZINC000269140451 132119075 /nfs/dbraw/zinc/11/90/75/132119075.db2.gz ZSOLBZOQDRCQSP-NEPJUHHUSA-N 2 2 252.362 0.974 20 0 CCADLP C[C@@H](C[NH2+][C@@H](C)Cn1cncn1)C[NH+]1CCOCC1 ZINC000657893359 413072871 /nfs/dbraw/zinc/07/28/71/413072871.db2.gz YLOGHNVXUHJDCO-STQMWFEESA-N 2 2 267.377 0.225 20 0 CCADLP CN(CCC[NH3+])C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000037050296 397380931 /nfs/dbraw/zinc/38/09/31/397380931.db2.gz WHOPXBPPRBPWEQ-UHFFFAOYSA-N 2 2 291.399 0.011 20 0 CCADLP C[C@@H](N1CC[NH+](CCOCC[NH3+])CC1)C(F)(F)F ZINC000357084513 144058470 /nfs/dbraw/zinc/05/84/70/144058470.db2.gz QPJBXFWTDSHVJV-SNVBAGLBSA-N 2 2 269.311 0.530 20 0 CCADLP C[C@H](C[NH3+])C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000357242503 144072460 /nfs/dbraw/zinc/07/24/60/144072460.db2.gz OYZRNMPSPMBLIW-CHWSQXEVSA-N 2 2 269.389 0.295 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357644221 144108172 /nfs/dbraw/zinc/10/81/72/144108172.db2.gz HAYPCMMLQGQVFJ-NSHDSACASA-N 2 2 269.389 0.042 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357644221 144108174 /nfs/dbraw/zinc/10/81/74/144108174.db2.gz HAYPCMMLQGQVFJ-NSHDSACASA-N 2 2 269.389 0.042 20 0 CCADLP Cn1c[nH+]cc1CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000371922771 397474581 /nfs/dbraw/zinc/47/45/81/397474581.db2.gz HIJXFIITZYWSOV-CQSZACIVSA-N 2 2 277.416 0.632 20 0 CCADLP Cn1c[nH+]cc1CN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000371922771 397474589 /nfs/dbraw/zinc/47/45/89/397474589.db2.gz HIJXFIITZYWSOV-CQSZACIVSA-N 2 2 277.416 0.632 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@]2(C)CCCOC2)CC1 ZINC000357985883 144140351 /nfs/dbraw/zinc/14/03/51/144140351.db2.gz MSHGYRNCZLFLFT-MRXNPFEDSA-N 2 2 297.443 0.945 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CC[NH2+][C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000358697893 144173523 /nfs/dbraw/zinc/17/35/23/144173523.db2.gz UKKREGRNIXDQNK-RDBSUJKOSA-N 2 2 282.432 0.127 20 0 CCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000359203860 144201573 /nfs/dbraw/zinc/20/15/73/144201573.db2.gz CYWRQTXQVQVOIH-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP COc1ccc(CNC(=O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000359267578 144208108 /nfs/dbraw/zinc/20/81/08/144208108.db2.gz ADYQQKZWAGIFIX-ZIAGYGMSSA-N 2 2 289.379 0.463 20 0 CCADLP CC[N@H+](C)CCNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368188354 144211087 /nfs/dbraw/zinc/21/10/87/144211087.db2.gz CFNZZPUDOIRFNY-JTQLQIEISA-N 2 2 265.361 0.518 20 0 CCADLP CC[N@@H+](C)CCNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368188354 144211088 /nfs/dbraw/zinc/21/10/88/144211088.db2.gz CFNZZPUDOIRFNY-JTQLQIEISA-N 2 2 265.361 0.518 20 0 CCADLP CC[N@H+](C)CCNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368188354 144211090 /nfs/dbraw/zinc/21/10/90/144211090.db2.gz CFNZZPUDOIRFNY-JTQLQIEISA-N 2 2 265.361 0.518 20 0 CCADLP CC[N@@H+](C)CCNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368188354 144211091 /nfs/dbraw/zinc/21/10/91/144211091.db2.gz CFNZZPUDOIRFNY-JTQLQIEISA-N 2 2 265.361 0.518 20 0 CCADLP Cc1cn2c(n1)C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC2 ZINC000368478060 144226959 /nfs/dbraw/zinc/22/69/59/144226959.db2.gz NIHKNSCLFRTYLN-UHFFFAOYSA-N 2 2 291.399 0.171 20 0 CCADLP Cc1cn2c(n1)C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC2 ZINC000368478060 144226961 /nfs/dbraw/zinc/22/69/61/144226961.db2.gz NIHKNSCLFRTYLN-UHFFFAOYSA-N 2 2 291.399 0.171 20 0 CCADLP CC(=O)NC1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000381851262 397488968 /nfs/dbraw/zinc/48/89/68/397488968.db2.gz LGHCVZMDALDSDF-CQSZACIVSA-N 2 2 271.405 0.288 20 0 CCADLP CC(=O)NC1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000381851262 397488972 /nfs/dbraw/zinc/48/89/72/397488972.db2.gz LGHCVZMDALDSDF-CQSZACIVSA-N 2 2 271.405 0.288 20 0 CCADLP CCn1cc[nH+]c1CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000369238849 144259317 /nfs/dbraw/zinc/25/93/17/144259317.db2.gz SMVKQBBCLFNXKZ-UONOGXRCSA-N 2 2 278.400 0.934 20 0 CCADLP Cc1ocnc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369272544 144261163 /nfs/dbraw/zinc/26/11/63/144261163.db2.gz BUURENMWYQKNFS-LBPRGKRZSA-N 2 2 292.383 0.881 20 0 CCADLP Cc1ocnc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369272544 144261165 /nfs/dbraw/zinc/26/11/65/144261165.db2.gz BUURENMWYQKNFS-LBPRGKRZSA-N 2 2 292.383 0.881 20 0 CCADLP CCC[C@@](C)(O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372070040 144351573 /nfs/dbraw/zinc/35/15/73/144351573.db2.gz JJXBGUBXNNRWKN-CZUORRHYSA-N 2 2 297.443 0.822 20 0 CCADLP CCC[C@@](C)(O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372070040 144351575 /nfs/dbraw/zinc/35/15/75/144351575.db2.gz JJXBGUBXNNRWKN-CZUORRHYSA-N 2 2 297.443 0.822 20 0 CCADLP Cc1cc(N2CCC[N@H+](CC(N)=O)CC2)nc(C)[nH+]1 ZINC000372489702 144369469 /nfs/dbraw/zinc/36/94/69/144369469.db2.gz GWCRZCPDJGNGQR-UHFFFAOYSA-N 2 2 263.345 0.091 20 0 CCADLP Cc1cc(N2CCC[N@@H+](CC(N)=O)CC2)nc(C)[nH+]1 ZINC000372489702 144369471 /nfs/dbraw/zinc/36/94/71/144369471.db2.gz GWCRZCPDJGNGQR-UHFFFAOYSA-N 2 2 263.345 0.091 20 0 CCADLP CCOCCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649687110 397656047 /nfs/dbraw/zinc/65/60/47/397656047.db2.gz JGRFIJAYDJPFEB-UHFFFAOYSA-N 2 2 257.378 0.119 20 0 CCADLP CCOCCC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649687110 397656050 /nfs/dbraw/zinc/65/60/50/397656050.db2.gz JGRFIJAYDJPFEB-UHFFFAOYSA-N 2 2 257.378 0.119 20 0 CCADLP CC[C@H]1C[N@H+](CC(=O)NCc2cccnc2)CC[C@H]1[NH3+] ZINC000649416765 397609499 /nfs/dbraw/zinc/60/94/99/397609499.db2.gz LKSYYIFCPWAENZ-UONOGXRCSA-N 2 2 276.384 0.757 20 0 CCADLP CC[C@H]1C[N@@H+](CC(=O)NCc2cccnc2)CC[C@H]1[NH3+] ZINC000649416765 397609501 /nfs/dbraw/zinc/60/95/01/397609501.db2.gz LKSYYIFCPWAENZ-UONOGXRCSA-N 2 2 276.384 0.757 20 0 CCADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)CC[C@H]1[NH3+] ZINC000649416814 397609741 /nfs/dbraw/zinc/60/97/41/397609741.db2.gz MRRFKMGZMVSPAV-RRFJBIMHSA-N 3 2 296.459 0.598 20 0 CCADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)CC[C@H]1[NH3+] ZINC000649416814 397609744 /nfs/dbraw/zinc/60/97/44/397609744.db2.gz MRRFKMGZMVSPAV-RRFJBIMHSA-N 3 2 296.459 0.598 20 0 CCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000649472969 397616884 /nfs/dbraw/zinc/61/68/84/397616884.db2.gz INLDDFQESMDSRS-UKRRQHHQSA-N 2 2 294.443 0.365 20 0 CCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000649472969 397616888 /nfs/dbraw/zinc/61/68/88/397616888.db2.gz INLDDFQESMDSRS-UKRRQHHQSA-N 2 2 294.443 0.365 20 0 CCADLP O=C(Nc1c[nH+]c2n1CCCC2)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000650568453 397731019 /nfs/dbraw/zinc/73/10/19/397731019.db2.gz IRLVIQVCGIQGEW-GFCCVEGCSA-N 2 2 289.383 0.548 20 0 CCADLP O=C(Nc1c[nH+]c2n1CCCC2)[C@H]1C[N@H+]2CCN1CCC2 ZINC000650568453 397731025 /nfs/dbraw/zinc/73/10/25/397731025.db2.gz IRLVIQVCGIQGEW-GFCCVEGCSA-N 2 2 289.383 0.548 20 0 CCADLP COCC[N@@H+]1CCN(CCC[NH+]2CCOCC2)C(C)(C)C1 ZINC000649849646 397674383 /nfs/dbraw/zinc/67/43/83/397674383.db2.gz DYUKTMWJFQACBF-UHFFFAOYSA-N 2 2 299.459 0.751 20 0 CCADLP COCC[N@H+]1CCN(CCC[NH+]2CCOCC2)C(C)(C)C1 ZINC000649849646 397674388 /nfs/dbraw/zinc/67/43/88/397674388.db2.gz DYUKTMWJFQACBF-UHFFFAOYSA-N 2 2 299.459 0.751 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)NCC[NH+]1CCCC1 ZINC000651027312 397809658 /nfs/dbraw/zinc/80/96/58/397809658.db2.gz AYTKXQBHLMRDJE-UHFFFAOYSA-N 2 2 276.384 0.974 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000548461006 286039048 /nfs/dbraw/zinc/03/90/48/286039048.db2.gz NSYNSXOOIDMHDD-UHFFFAOYSA-N 2 2 296.334 0.973 20 0 CCADLP CO[C@]1(C)CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336793222 286160698 /nfs/dbraw/zinc/16/06/98/286160698.db2.gz VVDGYWYQJBWSNU-ZIAGYGMSSA-N 2 2 256.390 0.942 20 0 CCADLP CO[C@]1(C)CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336793222 286160699 /nfs/dbraw/zinc/16/06/99/286160699.db2.gz VVDGYWYQJBWSNU-ZIAGYGMSSA-N 2 2 256.390 0.942 20 0 CCADLP CO[C@]1(C)CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000336793222 286160700 /nfs/dbraw/zinc/16/07/00/286160700.db2.gz VVDGYWYQJBWSNU-ZIAGYGMSSA-N 2 2 256.390 0.942 20 0 CCADLP CO[C@]1(C)CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336793222 286160701 /nfs/dbraw/zinc/16/07/01/286160701.db2.gz VVDGYWYQJBWSNU-ZIAGYGMSSA-N 2 2 256.390 0.942 20 0 CCADLP COc1ccc(OC)c(C[N@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000258947807 286342485 /nfs/dbraw/zinc/34/24/85/286342485.db2.gz KGWSHPIQXMLXHQ-NSHDSACASA-N 2 2 254.330 0.455 20 0 CCADLP COc1ccc(OC)c(C[N@@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000258947807 286342486 /nfs/dbraw/zinc/34/24/86/286342486.db2.gz KGWSHPIQXMLXHQ-NSHDSACASA-N 2 2 254.330 0.455 20 0 CCADLP CC(C)OC[C@H]([NH3+])C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000659312762 413402913 /nfs/dbraw/zinc/40/29/13/413402913.db2.gz BUXDVACSBFWVER-STQMWFEESA-N 2 2 292.383 0.529 20 0 CCADLP CCO[C@@H]1C[N@H+](CC(=O)N[C@@H]2CCCC[C@@H]2C)C[C@H]1C[NH3+] ZINC000405605213 411803900 /nfs/dbraw/zinc/80/39/00/411803900.db2.gz QQTBNXNWFNSAJL-GBJTYRQASA-N 2 2 297.443 0.977 20 0 CCADLP CCO[C@@H]1C[N@@H+](CC(=O)N[C@@H]2CCCC[C@@H]2C)C[C@H]1C[NH3+] ZINC000405605213 411803901 /nfs/dbraw/zinc/80/39/01/411803901.db2.gz QQTBNXNWFNSAJL-GBJTYRQASA-N 2 2 297.443 0.977 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407429438 411808758 /nfs/dbraw/zinc/80/87/58/411808758.db2.gz OPEBTSLRGDBIJO-KWCYVHTRSA-N 2 2 281.400 0.354 20 0 CCADLP O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CC[NH+](C2CC2)CC1 ZINC000407460573 411809106 /nfs/dbraw/zinc/80/91/06/411809106.db2.gz RMVAYEZTJVKHIW-KGLIPLIRSA-N 2 2 263.385 0.824 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCOCC2CC2)C[C@H](C)O1 ZINC000521994731 411825776 /nfs/dbraw/zinc/82/57/76/411825776.db2.gz GACQDQSSWXDXIR-GUTXKFCHSA-N 2 2 286.416 0.473 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCOCC2CC2)C[C@H](C)O1 ZINC000521994731 411825779 /nfs/dbraw/zinc/82/57/79/411825779.db2.gz GACQDQSSWXDXIR-GUTXKFCHSA-N 2 2 286.416 0.473 20 0 CCADLP O[C@@H]1CC[N@@H+](C2CN(c3[nH+]cnc4[nH]ccc43)C2)C1 ZINC000651452608 411877952 /nfs/dbraw/zinc/87/79/52/411877952.db2.gz RHCLIDLTPQRDOV-SNVBAGLBSA-N 2 2 259.313 0.213 20 0 CCADLP O[C@@H]1CC[N@H+](C2CN(c3[nH+]cnc4[nH]ccc43)C2)C1 ZINC000651452608 411877956 /nfs/dbraw/zinc/87/79/56/411877956.db2.gz RHCLIDLTPQRDOV-SNVBAGLBSA-N 2 2 259.313 0.213 20 0 CCADLP C[C@@H](NC(=O)NCCC1(C[NH3+])CC1)[C@H](C)[NH+]1CCOCC1 ZINC000652147386 411993238 /nfs/dbraw/zinc/99/32/38/411993238.db2.gz RXSGWTOLKHPTAL-OLZOCXBDSA-N 2 2 298.431 0.524 20 0 CCADLP C[C@@H](CC(=O)N1CC[N@H+](CCO)C(C)(C)C1)n1cc[nH+]c1 ZINC000651845751 411945177 /nfs/dbraw/zinc/94/51/77/411945177.db2.gz VCEAKUZDOUOROQ-ZDUSSCGKSA-N 2 2 294.399 0.749 20 0 CCADLP C[C@@H](CC(=O)N1CC[N@@H+](CCO)C(C)(C)C1)n1cc[nH+]c1 ZINC000651845751 411945179 /nfs/dbraw/zinc/94/51/79/411945179.db2.gz VCEAKUZDOUOROQ-ZDUSSCGKSA-N 2 2 294.399 0.749 20 0 CCADLP C[C@@H]1CCC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)[C@H]1CC[NH3+] ZINC000652355396 412036407 /nfs/dbraw/zinc/03/64/07/412036407.db2.gz XCYJNDQHTLCYPO-YPMHNXCESA-N 2 2 289.383 0.972 20 0 CCADLP C[C@@H]1CCC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)[C@H]1CC[NH3+] ZINC000652355396 412036409 /nfs/dbraw/zinc/03/64/09/412036409.db2.gz XCYJNDQHTLCYPO-YPMHNXCESA-N 2 2 289.383 0.972 20 0 CCADLP C[C@H]1CCC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)[C@@H]1CC[NH3+] ZINC000652355395 412036762 /nfs/dbraw/zinc/03/67/62/412036762.db2.gz XCYJNDQHTLCYPO-WCQYABFASA-N 2 2 289.383 0.972 20 0 CCADLP C[C@H]1CCC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)[C@@H]1CC[NH3+] ZINC000652355395 412036767 /nfs/dbraw/zinc/03/67/67/412036767.db2.gz XCYJNDQHTLCYPO-WCQYABFASA-N 2 2 289.383 0.972 20 0 CCADLP Cn1ncnc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652363982 412039724 /nfs/dbraw/zinc/03/97/24/412039724.db2.gz UAAFLSOKIBSZBP-XQQFMLRXSA-N 2 2 279.388 0.676 20 0 CCADLP Cn1ncnc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652363982 412039727 /nfs/dbraw/zinc/03/97/27/412039727.db2.gz UAAFLSOKIBSZBP-XQQFMLRXSA-N 2 2 279.388 0.676 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1ncc(C(C)(C)C)o1 ZINC000653091401 412214445 /nfs/dbraw/zinc/21/44/45/412214445.db2.gz TVXWBZQHWWWYQE-SNVBAGLBSA-N 2 2 282.388 0.867 20 0 CCADLP C[C@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC[NH2+]1 ZINC000653050760 412201569 /nfs/dbraw/zinc/20/15/69/412201569.db2.gz SLAZJQSUIKTCQG-NSHDSACASA-N 2 2 262.357 0.582 20 0 CCADLP CO[C@@H](CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C(F)(F)F ZINC000653055023 412204069 /nfs/dbraw/zinc/20/40/69/412204069.db2.gz ISAOQEBXOVEULE-BDAKNGLRSA-N 2 2 283.294 0.055 20 0 CCADLP CO[C@@H](CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C(F)(F)F ZINC000653055023 412204072 /nfs/dbraw/zinc/20/40/72/412204072.db2.gz ISAOQEBXOVEULE-BDAKNGLRSA-N 2 2 283.294 0.055 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1n[nH]c(C(F)(F)F)n1 ZINC000653057514 412204230 /nfs/dbraw/zinc/20/42/30/412204230.db2.gz FKASCHLVLDBUQQ-YFKPBYRVSA-N 2 2 280.254 0.041 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCc1ccc2c(c1)OCO2 ZINC000653061406 412205186 /nfs/dbraw/zinc/20/51/86/412205186.db2.gz OCYNFGOJUMPIAP-GFCCVEGCSA-N 2 2 293.367 0.353 20 0 CCADLP Cc1ccc(OCCNC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653058276 412206243 /nfs/dbraw/zinc/20/62/43/412206243.db2.gz LWYXPOPGFDRUDF-CQSZACIVSA-N 2 2 279.384 0.769 20 0 CCADLP CN(Cc1cccs1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653058126 412206369 /nfs/dbraw/zinc/20/63/69/412206369.db2.gz GGDZILXWMIMADB-NSHDSACASA-N 2 2 255.387 0.986 20 0 CCADLP CCCn1nccc1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653068661 412207222 /nfs/dbraw/zinc/20/72/22/412207222.db2.gz LTALTQLUJYMCNR-JTQLQIEISA-N 2 2 253.350 0.511 20 0 CCADLP COc1cc(CN(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C)ccc1O ZINC000653064759 412207618 /nfs/dbraw/zinc/20/76/18/412207618.db2.gz DIELAIYCQSJJAR-LBPRGKRZSA-N 2 2 295.383 0.638 20 0 CCADLP C[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccc2c(c1)OCO2 ZINC000653063311 412207840 /nfs/dbraw/zinc/20/78/40/412207840.db2.gz BLUIMRXGWULCJN-ZYHUDNBSSA-N 2 2 293.367 0.872 20 0 CCADLP COc1ccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1F ZINC000653072324 412208834 /nfs/dbraw/zinc/20/88/34/412208834.db2.gz NRSZMSZQECUSFM-GFCCVEGCSA-N 2 2 283.347 0.730 20 0 CCADLP CC[C@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CCS1 ZINC000653092951 412215549 /nfs/dbraw/zinc/21/55/49/412215549.db2.gz QQJZISOEKDAEOX-WDEREUQCSA-N 2 2 259.419 0.619 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000653093445 412215603 /nfs/dbraw/zinc/21/56/03/412215603.db2.gz CVOLVFZMGLOWIB-KXNHARMFSA-N 2 2 269.389 0.195 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000653084056 412213020 /nfs/dbraw/zinc/21/30/20/412213020.db2.gz SWAZDGCMGYGSSY-LLVKDONJSA-N 2 2 289.343 0.084 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC[C@]2(CCCOC2)C1 ZINC000653095522 412216771 /nfs/dbraw/zinc/21/67/71/412216771.db2.gz LTIGOGKYFMKAKK-HIFRSBDPSA-N 2 2 283.416 0.685 20 0 CCADLP COC[C@H](Cc1ccccc1)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653096528 412216923 /nfs/dbraw/zinc/21/69/23/412216923.db2.gz NVRULRKJXBMESG-LSDHHAIUSA-N 2 2 293.411 0.639 20 0 CCADLP CC(C)[C@@H]1OCCC[C@H]1CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653101716 412218540 /nfs/dbraw/zinc/21/85/40/412218540.db2.gz DQJDLFVVFYLQEH-MJBXVCDLSA-N 2 2 285.432 0.833 20 0 CCADLP CCC(CC)(CCO)CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653102180 412218722 /nfs/dbraw/zinc/21/87/22/412218722.db2.gz QEWLKBUYUWNJFH-GFCCVEGCSA-N 2 2 273.421 0.570 20 0 CCADLP Cn1c2ccc(F)cc2nc1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653102471 412218781 /nfs/dbraw/zinc/21/87/81/412218781.db2.gz YZBAYENWORAKJH-JTQLQIEISA-N 2 2 293.346 0.930 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC(C)(C)[C@@H]1CCCCO1 ZINC000653104534 412220030 /nfs/dbraw/zinc/22/00/30/412220030.db2.gz KJQVRBADHQBYLO-STQMWFEESA-N 2 2 285.432 0.977 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653111591 412224276 /nfs/dbraw/zinc/22/42/76/412224276.db2.gz UGBAXYWSONOUBZ-NWDGAFQWSA-N 2 2 250.346 0.778 20 0 CCADLP C[C@@H]1CCC[C@](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)([NH+](C)C)C1 ZINC000653111977 412224798 /nfs/dbraw/zinc/22/47/98/412224798.db2.gz HWIWZCAXXIRLEO-YCPHGPKFSA-N 3 2 298.475 0.892 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653121833 412228898 /nfs/dbraw/zinc/22/88/98/412228898.db2.gz DLKJEDSKYDXECS-WFASDCNBSA-N 2 2 292.383 0.391 20 0 CCADLP [NH3+][C@@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)C1CC1 ZINC000653127720 412234026 /nfs/dbraw/zinc/23/40/26/412234026.db2.gz XPWXCINGSIUCQR-LBPRGKRZSA-N 2 2 262.357 0.615 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1cccc2c1CCCN2 ZINC000653140598 412239142 /nfs/dbraw/zinc/23/91/42/412239142.db2.gz HVUPLCGABFKDOY-CQSZACIVSA-N 2 2 290.411 0.940 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@H]1C[NH2+]CCCO1 ZINC000653147311 412241471 /nfs/dbraw/zinc/24/14/71/412241471.db2.gz ZQHBJXVUEMNAIA-CYBMUJFWSA-N 2 2 292.383 0.257 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCC[C@H]1CCCC[C@H]1O ZINC000653150647 412243613 /nfs/dbraw/zinc/24/36/13/412243613.db2.gz JBLOFDJVFUZSCF-HZSPNIEDSA-N 2 2 285.432 0.713 20 0 CCADLP COc1cc(C)cc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000653151331 412243728 /nfs/dbraw/zinc/24/37/28/412243728.db2.gz CYAXWAISZLJVAJ-CQSZACIVSA-N 2 2 279.384 0.899 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000653158199 412246769 /nfs/dbraw/zinc/24/67/69/412246769.db2.gz XIUQPGRDKGWNGY-RVMXOQNASA-N 2 2 281.400 0.339 20 0 CCADLP Cc1occc1CN(C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653174242 412251867 /nfs/dbraw/zinc/25/18/67/412251867.db2.gz VDXNWJBQNOMXKA-GFCCVEGCSA-N 2 2 253.346 0.825 20 0 CCADLP CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C[C@@H]1CCOC1 ZINC000653497973 412308070 /nfs/dbraw/zinc/30/80/70/412308070.db2.gz BQPUZODCTGAACH-KBPBESRZSA-N 2 2 274.405 0.284 20 0 CCADLP CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C[C@@H]1CCOC1 ZINC000653497973 412308073 /nfs/dbraw/zinc/30/80/73/412308073.db2.gz BQPUZODCTGAACH-KBPBESRZSA-N 2 2 274.405 0.284 20 0 CCADLP CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C[C@@H]1CCOC1 ZINC000653497973 412308075 /nfs/dbraw/zinc/30/80/75/412308075.db2.gz BQPUZODCTGAACH-KBPBESRZSA-N 2 2 274.405 0.284 20 0 CCADLP CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C[C@@H]1CCOC1 ZINC000653497973 412308076 /nfs/dbraw/zinc/30/80/76/412308076.db2.gz BQPUZODCTGAACH-KBPBESRZSA-N 2 2 274.405 0.284 20 0 CCADLP C[C@@H](O)CC[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000653689594 412335500 /nfs/dbraw/zinc/33/55/00/412335500.db2.gz BSNZGHFRJJEHFZ-CHWSQXEVSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@@H](O)CC[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000653689594 412335502 /nfs/dbraw/zinc/33/55/02/412335502.db2.gz BSNZGHFRJJEHFZ-CHWSQXEVSA-N 2 2 256.390 0.942 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC12CCCC2 ZINC000653777277 412344472 /nfs/dbraw/zinc/34/44/72/412344472.db2.gz ZAUDHTHJAWJLMG-CYBMUJFWSA-N 2 2 256.390 0.944 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC12CCCC2 ZINC000653777277 412344474 /nfs/dbraw/zinc/34/44/74/412344474.db2.gz ZAUDHTHJAWJLMG-CYBMUJFWSA-N 2 2 256.390 0.944 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC12CCCC2 ZINC000653777277 412344476 /nfs/dbraw/zinc/34/44/76/412344476.db2.gz ZAUDHTHJAWJLMG-CYBMUJFWSA-N 2 2 256.390 0.944 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC12CCCC2 ZINC000653777277 412344481 /nfs/dbraw/zinc/34/44/81/412344481.db2.gz ZAUDHTHJAWJLMG-CYBMUJFWSA-N 2 2 256.390 0.944 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cccc2cnncc21 ZINC000653347777 412292294 /nfs/dbraw/zinc/29/22/94/412292294.db2.gz PCJBRWKWTSBUOU-GFCCVEGCSA-N 2 2 273.340 0.847 20 0 CCADLP CCn1cc(CC[NH+]2CCN(C(=O)C[NH+](C)C)CC2)cn1 ZINC000284944271 196161895 /nfs/dbraw/zinc/16/18/95/196161895.db2.gz IVMTXVCCKJNTFB-UHFFFAOYSA-N 2 2 293.415 0.151 20 0 CCADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000654663050 412425274 /nfs/dbraw/zinc/42/52/74/412425274.db2.gz DMPQNSJAHHDHCX-TXEJJXNPSA-N 2 2 277.372 0.749 20 0 CCADLP CN(C)[C@@H](C(=O)NCC[N@H+]1CC=CCC1)c1c[nH+]cn1C ZINC000655043762 412466653 /nfs/dbraw/zinc/46/66/53/412466653.db2.gz IXIIFTDXQNJPJP-CQSZACIVSA-N 2 2 291.399 0.401 20 0 CCADLP CN(C)[C@@H](C(=O)NCC[N@@H+]1CC=CCC1)c1c[nH+]cn1C ZINC000655043762 412466655 /nfs/dbraw/zinc/46/66/55/412466655.db2.gz IXIIFTDXQNJPJP-CQSZACIVSA-N 2 2 291.399 0.401 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000655105307 412479273 /nfs/dbraw/zinc/47/92/73/412479273.db2.gz VZYCITOGZBJZPO-NQBHXWOUSA-N 2 2 262.357 0.751 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000655105307 412479276 /nfs/dbraw/zinc/47/92/76/412479276.db2.gz VZYCITOGZBJZPO-NQBHXWOUSA-N 2 2 262.357 0.751 20 0 CCADLP C[C@@H](NC(=O)N1CC2CC1(C[NH3+])C2)[C@@H](C)[NH+]1CCOCC1 ZINC000659450130 413508353 /nfs/dbraw/zinc/50/83/53/413508353.db2.gz HVPGYSFMYYQHKK-SIUPQYRZSA-N 2 2 296.415 0.228 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659449436 413510111 /nfs/dbraw/zinc/51/01/11/413510111.db2.gz DSAWNXUMRJLXEY-UHFFFAOYSA-N 2 2 296.415 0.148 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659449436 413510118 /nfs/dbraw/zinc/51/01/18/413510118.db2.gz DSAWNXUMRJLXEY-UHFFFAOYSA-N 2 2 296.415 0.148 20 0 CCADLP [NH3+]C1(CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC000659484041 413539640 /nfs/dbraw/zinc/53/96/40/413539640.db2.gz NGQAIHWPUKSGEL-NSHDSACASA-N 2 2 277.372 0.769 20 0 CCADLP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000659493985 413546495 /nfs/dbraw/zinc/54/64/95/413546495.db2.gz KJBUUAJWDNQUSC-WDEREUQCSA-N 2 2 279.388 0.940 20 0 CCADLP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000659493985 413546503 /nfs/dbraw/zinc/54/65/03/413546503.db2.gz KJBUUAJWDNQUSC-WDEREUQCSA-N 2 2 279.388 0.940 20 0 CCADLP CO[C@H]1C[C@@H](CN(C)C(=O)C=Cc2c[nH]c[nH+]2)[N@H+](C)C1 ZINC000285051096 196186089 /nfs/dbraw/zinc/18/60/89/196186089.db2.gz QHUSHZYJUKLFCY-WWKJKZQJSA-N 2 2 278.356 0.600 20 0 CCADLP CO[C@H]1C[C@@H](CN(C)C(=O)C=Cc2c[nH]c[nH+]2)[N@@H+](C)C1 ZINC000285051096 196186091 /nfs/dbraw/zinc/18/60/91/196186091.db2.gz QHUSHZYJUKLFCY-WWKJKZQJSA-N 2 2 278.356 0.600 20 0 CCADLP O=C(N[C@@H]1[C@H]2C[N@H+](CC3CC3)C[C@H]21)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000960398237 649853859 /nfs/dbraw/zinc/85/38/59/649853859.db2.gz UDUYNZZLWKRYLB-NTASLKFISA-N 2 2 286.379 0.970 20 0 CCADLP O=C(N[C@@H]1[C@H]2C[N@@H+](CC3CC3)C[C@H]21)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000960398237 649853861 /nfs/dbraw/zinc/85/38/61/649853861.db2.gz UDUYNZZLWKRYLB-NTASLKFISA-N 2 2 286.379 0.970 20 0 CCADLP O=C(NC[C@@H]1CCC[NH2+]C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659509821 413570483 /nfs/dbraw/zinc/57/04/83/413570483.db2.gz ISSNRNQOGARWPZ-ZIAGYGMSSA-N 2 2 296.415 0.102 20 0 CCADLP O=C(N[C@@H]1[C@H]2C[N@H+](CC3CC3)C[C@H]21)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000960398237 649853862 /nfs/dbraw/zinc/85/38/62/649853862.db2.gz UDUYNZZLWKRYLB-NTASLKFISA-N 2 2 286.379 0.970 20 0 CCADLP O=C(N[C@@H]1[C@H]2C[N@@H+](CC3CC3)C[C@H]21)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000960398237 649853864 /nfs/dbraw/zinc/85/38/64/649853864.db2.gz UDUYNZZLWKRYLB-NTASLKFISA-N 2 2 286.379 0.970 20 0 CCADLP C[C@@H](NC(=O)N[C@@H](C)C[C@H](C)[NH3+])c1[nH+]ccn1C ZINC000659554093 413649133 /nfs/dbraw/zinc/64/91/33/413649133.db2.gz DFNNXFWBPPEULA-LPEHRKFASA-N 2 2 253.350 0.906 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NCC1([NH3+])CCCC1 ZINC000659574845 413673031 /nfs/dbraw/zinc/67/30/31/413673031.db2.gz GOBLOUKGVLKIRN-UHFFFAOYSA-N 2 2 251.334 0.823 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)NCC1([NH3+])CCCC1 ZINC000659574845 413673043 /nfs/dbraw/zinc/67/30/43/413673043.db2.gz GOBLOUKGVLKIRN-UHFFFAOYSA-N 2 2 251.334 0.823 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)NCC13CC(C1)C[NH2+]3)CC2 ZINC000659615595 413708002 /nfs/dbraw/zinc/70/80/02/413708002.db2.gz OIVADKGJXZHGRJ-UHFFFAOYSA-N 2 2 275.356 0.469 20 0 CCADLP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659620884 413719402 /nfs/dbraw/zinc/71/94/02/413719402.db2.gz RRXIQOUWBJYGNY-ZIAGYGMSSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@H](NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1[nH+]ccn1C ZINC000659628043 413724685 /nfs/dbraw/zinc/72/46/85/413724685.db2.gz KHEBAOKRXDPBSS-TUAOUCFPSA-N 2 2 277.372 0.875 20 0 CCADLP C[NH2+][C@@H]1CCN(C(=O)N[C@@H](C)c2[nH+]ccn2C)C1 ZINC000659629427 413724800 /nfs/dbraw/zinc/72/48/00/413724800.db2.gz WOYGXTDIRLXTQI-VHSXEESVSA-N 2 2 251.334 0.484 20 0 CCADLP COC[C@H](C[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1)OC ZINC000659880182 413938735 /nfs/dbraw/zinc/93/87/35/413938735.db2.gz IGYAULDLJUFADU-AWEZNQCLSA-N 2 2 295.383 0.874 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCS[C@@H]2COCC[C@H]21 ZINC000660017522 414060268 /nfs/dbraw/zinc/06/02/68/414060268.db2.gz MNXHQUCDLKDRQV-BFHYXJOUSA-N 2 2 288.457 0.894 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCS[C@@H]2COCC[C@H]21 ZINC000660017522 414060279 /nfs/dbraw/zinc/06/02/79/414060279.db2.gz MNXHQUCDLKDRQV-BFHYXJOUSA-N 2 2 288.457 0.894 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000660017522 414060289 /nfs/dbraw/zinc/06/02/89/414060289.db2.gz MNXHQUCDLKDRQV-BFHYXJOUSA-N 2 2 288.457 0.894 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000660017522 414060294 /nfs/dbraw/zinc/06/02/94/414060294.db2.gz MNXHQUCDLKDRQV-BFHYXJOUSA-N 2 2 288.457 0.894 20 0 CCADLP O=C(C[C@H]1COCC[NH2+]1)NCc1ccn2cc[nH+]c2c1 ZINC000285740546 196384814 /nfs/dbraw/zinc/38/48/14/196384814.db2.gz HQUFPFWEPDRFLH-LBPRGKRZSA-N 2 2 274.324 0.329 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)CCO1 ZINC000660120928 414124666 /nfs/dbraw/zinc/12/46/66/414124666.db2.gz QNTQBSIIQYUWLJ-BPLDGKMQSA-N 2 2 295.427 0.968 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000660128291 414133248 /nfs/dbraw/zinc/13/32/48/414133248.db2.gz KIDOCUUFDDEGLR-NSHDSACASA-N 2 2 291.355 0.103 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000660128291 414133256 /nfs/dbraw/zinc/13/32/56/414133256.db2.gz KIDOCUUFDDEGLR-NSHDSACASA-N 2 2 291.355 0.103 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](N2CCCC2=O)C1 ZINC000660149320 414158586 /nfs/dbraw/zinc/15/85/86/414158586.db2.gz WWVZJUKAEQEMFN-KGLIPLIRSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](N2CCCC2=O)C1 ZINC000660149320 414158591 /nfs/dbraw/zinc/15/85/91/414158591.db2.gz WWVZJUKAEQEMFN-KGLIPLIRSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000660149320 414158595 /nfs/dbraw/zinc/15/85/95/414158595.db2.gz WWVZJUKAEQEMFN-KGLIPLIRSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000660149320 414158598 /nfs/dbraw/zinc/15/85/98/414158598.db2.gz WWVZJUKAEQEMFN-KGLIPLIRSA-N 2 2 283.416 0.384 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC000660114297 414118836 /nfs/dbraw/zinc/11/88/36/414118836.db2.gz WTYMIPDVANHBAB-LLVKDONJSA-N 2 2 286.326 0.966 20 0 CCADLP CCS(=O)(=O)C1C[NH+](CCCn2cc[nH+]c2C)C1 ZINC000660730533 414464663 /nfs/dbraw/zinc/46/46/63/414464663.db2.gz JXDXXYNRINLFMX-UHFFFAOYSA-N 2 2 271.386 0.701 20 0 CCADLP C[C@H](NC(=O)NC1CC[NH+](C)CC1)c1[nH+]ccn1C ZINC000660822967 414490162 /nfs/dbraw/zinc/49/01/62/414490162.db2.gz WWUATDZDTJGHIH-JTQLQIEISA-N 2 2 265.361 0.875 20 0 CCADLP C[C@H](NC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)c1[nH+]ccn1C ZINC000660934268 414533003 /nfs/dbraw/zinc/53/30/03/414533003.db2.gz OLJJFNDWTPRUGN-SDDRHHMPSA-N 2 2 295.387 0.499 20 0 CCADLP C[C@H](NC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)c1[nH+]ccn1C ZINC000660934268 414533007 /nfs/dbraw/zinc/53/30/07/414533007.db2.gz OLJJFNDWTPRUGN-SDDRHHMPSA-N 2 2 295.387 0.499 20 0 CCADLP CCCCNC(=O)[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662258405 414701348 /nfs/dbraw/zinc/70/13/48/414701348.db2.gz ULJFPJLZTGINNE-KBPBESRZSA-N 2 2 283.416 0.603 20 0 CCADLP CCCCNC(=O)[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662258405 414701349 /nfs/dbraw/zinc/70/13/49/414701349.db2.gz ULJFPJLZTGINNE-KBPBESRZSA-N 2 2 283.416 0.603 20 0 CCADLP CC(C)[C@H](C)NC(=O)C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662258198 414701517 /nfs/dbraw/zinc/70/15/17/414701517.db2.gz SNIYDJXPGGBGSD-DZGCQCFKSA-N 2 2 297.443 0.848 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000662261283 414701869 /nfs/dbraw/zinc/70/18/69/414701869.db2.gz HIUXTQUKHIFMIH-CHWSQXEVSA-N 2 2 291.399 0.392 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000662261283 414701870 /nfs/dbraw/zinc/70/18/70/414701870.db2.gz HIUXTQUKHIFMIH-CHWSQXEVSA-N 2 2 291.399 0.392 20 0 CCADLP CN(C)c1noc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000662267512 414703262 /nfs/dbraw/zinc/70/32/62/414703262.db2.gz WETQCUGPPHUAHX-GARJFASQSA-N 2 2 265.361 0.695 20 0 CCADLP CN(C)c1noc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000662267512 414703263 /nfs/dbraw/zinc/70/32/63/414703263.db2.gz WETQCUGPPHUAHX-GARJFASQSA-N 2 2 265.361 0.695 20 0 CCADLP C[NH2+]CCC1CC[NH+](Cc2nc(N(C)C)no2)CC1 ZINC000662266789 414703446 /nfs/dbraw/zinc/70/34/46/414703446.db2.gz PBFLTEAJXGZVKL-UHFFFAOYSA-N 2 2 267.377 0.957 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000662273926 414703997 /nfs/dbraw/zinc/70/39/97/414703997.db2.gz BKLUGOFEZKNYIN-KBPBESRZSA-N 3 2 253.390 0.439 20 0 CCADLP Cc1nnc([C@@H](C)[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)[nH]1 ZINC000662278041 414704434 /nfs/dbraw/zinc/70/44/34/414704434.db2.gz ZUKWNGDDNBOWRY-PWSUYJOCSA-N 2 2 264.377 0.154 20 0 CCADLP Cc1nnc([C@@H](C)[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)[nH]1 ZINC000662278041 414704435 /nfs/dbraw/zinc/70/44/35/414704435.db2.gz ZUKWNGDDNBOWRY-PWSUYJOCSA-N 2 2 264.377 0.154 20 0 CCADLP COCCOCCOCCC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000662276210 414704511 /nfs/dbraw/zinc/70/45/11/414704511.db2.gz KYCKGRICZUEMRX-LSDHHAIUSA-N 2 2 286.416 0.740 20 0 CCADLP COCCOCCOCCC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000662276210 414704512 /nfs/dbraw/zinc/70/45/12/414704512.db2.gz KYCKGRICZUEMRX-LSDHHAIUSA-N 2 2 286.416 0.740 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000662278813 414704917 /nfs/dbraw/zinc/70/49/17/414704917.db2.gz MFZFPVUDKQGFIP-KGLIPLIRSA-N 2 2 254.374 0.723 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000662278813 414704918 /nfs/dbraw/zinc/70/49/18/414704918.db2.gz MFZFPVUDKQGFIP-KGLIPLIRSA-N 2 2 254.374 0.723 20 0 CCADLP CC[C@H]1CCCCN1C(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662285739 414706278 /nfs/dbraw/zinc/70/62/78/414706278.db2.gz GPJBOOXJNNWZJZ-ZDUSSCGKSA-N 2 2 283.416 0.482 20 0 CCADLP Cc1ccc(C)c(NC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)c1 ZINC000662285413 414706329 /nfs/dbraw/zinc/70/63/29/414706329.db2.gz AEGAMZGZPMVLHT-UHFFFAOYSA-N 2 2 291.395 0.946 20 0 CCADLP C[C@@H]1CC2(C[N@@H+]1C[C@H]1C[NH2+]CCO1)CC[NH2+]CC2 ZINC000662283789 414706468 /nfs/dbraw/zinc/70/64/68/414706468.db2.gz QCNAAUSPCXIKQD-CHWSQXEVSA-N 3 2 253.390 0.439 20 0 CCADLP C[C@@H]1CC2(C[N@H+]1C[C@H]1C[NH2+]CCO1)CC[NH2+]CC2 ZINC000662283789 414706469 /nfs/dbraw/zinc/70/64/69/414706469.db2.gz QCNAAUSPCXIKQD-CHWSQXEVSA-N 3 2 253.390 0.439 20 0 CCADLP Cc1ccc(NC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)cc1C ZINC000662286676 414706563 /nfs/dbraw/zinc/70/65/63/414706563.db2.gz WNGDYDMUUXHNCJ-UHFFFAOYSA-N 2 2 291.395 0.946 20 0 CCADLP CCc1ccccc1C[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000662287648 414706646 /nfs/dbraw/zinc/70/66/46/414706646.db2.gz FXSWYVJJGPZLBK-CQSZACIVSA-N 2 2 252.358 0.363 20 0 CCADLP CCc1ccccc1C[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000662287648 414706647 /nfs/dbraw/zinc/70/66/47/414706647.db2.gz FXSWYVJJGPZLBK-CQSZACIVSA-N 2 2 252.358 0.363 20 0 CCADLP CCc1ccc(C[N@H+](CC[NH3+])C[C@@H](O)CO)cc1 ZINC000662287923 414707071 /nfs/dbraw/zinc/70/70/71/414707071.db2.gz CXUGPKWKLGSIQR-CQSZACIVSA-N 2 2 252.358 0.363 20 0 CCADLP CCc1ccc(C[N@@H+](CC[NH3+])C[C@@H](O)CO)cc1 ZINC000662287923 414707072 /nfs/dbraw/zinc/70/70/72/414707072.db2.gz CXUGPKWKLGSIQR-CQSZACIVSA-N 2 2 252.358 0.363 20 0 CCADLP Cc1ccccc1CCC[N@H+](CC[NH3+])C[C@H](O)CO ZINC000662288898 414707082 /nfs/dbraw/zinc/70/70/82/414707082.db2.gz UFRXEXLEFITPNP-HNNXBMFYSA-N 2 2 266.385 0.542 20 0 CCADLP Cc1ccccc1CCC[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000662288898 414707083 /nfs/dbraw/zinc/70/70/83/414707083.db2.gz UFRXEXLEFITPNP-HNNXBMFYSA-N 2 2 266.385 0.542 20 0 CCADLP CC(C)NC(=O)[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662316619 414708980 /nfs/dbraw/zinc/70/89/80/414708980.db2.gz KMSHXHYLYIYSMN-OLZOCXBDSA-N 2 2 269.389 0.211 20 0 CCADLP CC(C)NC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662316619 414708981 /nfs/dbraw/zinc/70/89/81/414708981.db2.gz KMSHXHYLYIYSMN-OLZOCXBDSA-N 2 2 269.389 0.211 20 0 CCADLP CN1CC[C@H]([N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)C1=O ZINC000662319091 414709198 /nfs/dbraw/zinc/70/91/98/414709198.db2.gz DBFLLPXVLYRABF-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CN1CC[C@H]([N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)C1=O ZINC000662319091 414709199 /nfs/dbraw/zinc/70/91/99/414709199.db2.gz DBFLLPXVLYRABF-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CCCNC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321193 414709414 /nfs/dbraw/zinc/70/94/14/414709414.db2.gz ZEKUKKKZGWMXNR-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP CCCNC(=O)[C@@H](C)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321193 414709415 /nfs/dbraw/zinc/70/94/15/414709415.db2.gz ZEKUKKKZGWMXNR-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662009583 414686824 /nfs/dbraw/zinc/68/68/24/414686824.db2.gz YCKSTFRDDVZZHY-CYBMUJFWSA-N 2 2 279.388 0.879 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662009583 414686825 /nfs/dbraw/zinc/68/68/25/414686825.db2.gz YCKSTFRDDVZZHY-CYBMUJFWSA-N 2 2 279.388 0.879 20 0 CCADLP CCN(CC)C(=O)[C@H](C)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662154548 414694424 /nfs/dbraw/zinc/69/44/24/414694424.db2.gz GOOBHXUBBDHXTL-DZGCQCFKSA-N 2 2 297.443 0.774 20 0 CCADLP CCN(CC)C(=O)[C@H](C)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662154548 414694425 /nfs/dbraw/zinc/69/44/25/414694425.db2.gz GOOBHXUBBDHXTL-DZGCQCFKSA-N 2 2 297.443 0.774 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254366 414699580 /nfs/dbraw/zinc/69/95/80/414699580.db2.gz HOVUFSQLFHLLDN-RYUDHWBXSA-N 2 2 290.429 0.262 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254366 414699581 /nfs/dbraw/zinc/69/95/81/414699581.db2.gz HOVUFSQLFHLLDN-RYUDHWBXSA-N 2 2 290.429 0.262 20 0 CCADLP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662256082 414700305 /nfs/dbraw/zinc/70/03/05/414700305.db2.gz FTDOLPFMHWQGTK-RRFJBIMHSA-N 2 2 297.443 0.992 20 0 CCADLP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662256082 414700306 /nfs/dbraw/zinc/70/03/06/414700306.db2.gz FTDOLPFMHWQGTK-RRFJBIMHSA-N 2 2 297.443 0.992 20 0 CCADLP C[C@@H](O)C[N@H+](C[C@H]1C[NH2+]CCO1)C1CCCCC1 ZINC000662256094 414700321 /nfs/dbraw/zinc/70/03/21/414700321.db2.gz FWQNOMGGUXGMRR-TZMCWYRMSA-N 2 2 256.390 0.990 20 0 CCADLP C[C@@H](O)C[N@@H+](C[C@H]1C[NH2+]CCO1)C1CCCCC1 ZINC000662256094 414700322 /nfs/dbraw/zinc/70/03/22/414700322.db2.gz FWQNOMGGUXGMRR-TZMCWYRMSA-N 2 2 256.390 0.990 20 0 CCADLP CC(C)OC[C@H]([NH3+])C(=O)NCCNc1cccc[nH+]1 ZINC000662372013 414712416 /nfs/dbraw/zinc/71/24/16/414712416.db2.gz RCYARDJVSOOKFB-NSHDSACASA-N 2 2 266.345 0.362 20 0 CCADLP CC(C)OC[C@H]([NH3+])C(=O)NCc1ccc[nH+]c1N(C)C ZINC000662385360 414713432 /nfs/dbraw/zinc/71/34/32/414713432.db2.gz TUXOLSLQBCJKAK-LBPRGKRZSA-N 2 2 280.372 0.516 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)[C@H](C[NH3+])C1 ZINC000662429712 414717457 /nfs/dbraw/zinc/71/74/57/414717457.db2.gz RXVZFRQRVUWXCU-LPWJVIDDSA-N 2 2 251.374 0.524 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)[C@H](C[NH3+])C1 ZINC000662429712 414717458 /nfs/dbraw/zinc/71/74/58/414717458.db2.gz RXVZFRQRVUWXCU-LPWJVIDDSA-N 2 2 251.374 0.524 20 0 CCADLP C[N@@H+]1CCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)[C@H](C[NH3+])C1 ZINC000662428295 414717537 /nfs/dbraw/zinc/71/75/37/414717537.db2.gz IFUNVHLIWZXUQO-UKRRQHHQSA-N 3 2 288.395 0.322 20 0 CCADLP C[N@H+]1CCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)[C@H](C[NH3+])C1 ZINC000662428295 414717538 /nfs/dbraw/zinc/71/75/38/414717538.db2.gz IFUNVHLIWZXUQO-UKRRQHHQSA-N 3 2 288.395 0.322 20 0 CCADLP CC(C)[NH2+]CC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000662447420 414719179 /nfs/dbraw/zinc/71/91/79/414719179.db2.gz VPCFQTPOTCXVTJ-RYUDHWBXSA-N 2 2 257.378 0.210 20 0 CCADLP CC[C@H](COCC1CC1)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000662620898 414733704 /nfs/dbraw/zinc/73/37/04/414733704.db2.gz SEVXFQHQGHZORM-CHWSQXEVSA-N 2 2 271.405 0.587 20 0 CCADLP COc1cccc(OC)c1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000662628026 414734587 /nfs/dbraw/zinc/73/45/87/414734587.db2.gz VYARYQHGCRKVBS-LBPRGKRZSA-N 2 2 295.383 0.599 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1ccc(C[NH3+])cc1 ZINC000662630194 414734860 /nfs/dbraw/zinc/73/48/60/414734860.db2.gz JVWXJTJPUYNICH-OLZOCXBDSA-N 2 2 291.395 0.984 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1ccc(C[NH3+])cc1 ZINC000662630194 414734861 /nfs/dbraw/zinc/73/48/61/414734861.db2.gz JVWXJTJPUYNICH-OLZOCXBDSA-N 2 2 291.395 0.984 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)C2([NH3+])CCC2)[C@@H](C)CO1 ZINC000662636171 414736070 /nfs/dbraw/zinc/73/60/70/414736070.db2.gz YNTUCFHXQSEDQY-QWRGUYRKSA-N 2 2 255.362 0.093 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)C2([NH3+])CCC2)[C@@H](C)CO1 ZINC000662636171 414736071 /nfs/dbraw/zinc/73/60/71/414736071.db2.gz YNTUCFHXQSEDQY-QWRGUYRKSA-N 2 2 255.362 0.093 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662655476 414737543 /nfs/dbraw/zinc/73/75/43/414737543.db2.gz IHUTULSMABTXQU-OLZOCXBDSA-N 2 2 269.389 0.293 20 0 CCADLP [NH3+]Cc1cc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)co1 ZINC000662656706 414737709 /nfs/dbraw/zinc/73/77/09/414737709.db2.gz RVLLNPPIGSZRMV-LBPRGKRZSA-N 2 2 279.340 0.285 20 0 CCADLP CC1(C)CC[NH2+][C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000662659024 414738063 /nfs/dbraw/zinc/73/80/63/414738063.db2.gz HVOJNVQQCXHULG-NSHDSACASA-N 2 2 250.346 0.778 20 0 CCADLP [NH3+]C1(CC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000662696206 414742623 /nfs/dbraw/zinc/74/26/23/414742623.db2.gz WKJCSIBIUMDVRY-AWEZNQCLSA-N 2 2 299.440 0.192 20 0 CCADLP CC1(C)CC[NH2+][C@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000662701311 414743255 /nfs/dbraw/zinc/74/32/55/414743255.db2.gz OFIJCVHAEXJECL-LBPRGKRZSA-N 2 2 283.416 0.602 20 0 CCADLP CC1(C)CC[NH2+][C@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000662701311 414743256 /nfs/dbraw/zinc/74/32/56/414743256.db2.gz OFIJCVHAEXJECL-LBPRGKRZSA-N 2 2 283.416 0.602 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H]1C(C)(C)C1(F)F ZINC000662705693 414744046 /nfs/dbraw/zinc/74/40/46/414744046.db2.gz QQMXORNFBWTCKB-IUCAKERBSA-N 2 2 263.332 0.673 20 0 CCADLP [NH3+][C@H]1C[C@H](C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000662712619 414745371 /nfs/dbraw/zinc/74/53/71/414745371.db2.gz GMFXQMWLBAEDOW-MGPQQGTHSA-N 2 2 281.400 0.437 20 0 CCADLP Cc1cccn2cc(CNC(=O)[C@H]3CCO[C@H]3C[NH3+])[nH+]c12 ZINC000662726939 414746958 /nfs/dbraw/zinc/74/69/58/414746958.db2.gz KKMSHNPQDBAMMA-STQMWFEESA-N 2 2 288.351 0.623 20 0 CCADLP [NH3+]C1(CC(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)CC1 ZINC000662728047 414747100 /nfs/dbraw/zinc/74/71/00/414747100.db2.gz FICTUGAQBJYERZ-UHFFFAOYSA-N 2 2 293.371 0.035 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662858534 414848387 /nfs/dbraw/zinc/84/83/87/414848387.db2.gz XWLUWGZBGKDYCM-ZDUSSCGKSA-N 3 2 284.448 0.374 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662858534 414848391 /nfs/dbraw/zinc/84/83/91/414848391.db2.gz XWLUWGZBGKDYCM-ZDUSSCGKSA-N 3 2 284.448 0.374 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2[NH2+]CCCC2(C)C)[C@H](C)CO1 ZINC000662859474 414851627 /nfs/dbraw/zinc/85/16/27/414851627.db2.gz NGEMDUWTFUNYRR-MGPQQGTHSA-N 2 2 297.443 0.990 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2[NH2+]CCCC2(C)C)[C@H](C)CO1 ZINC000662859474 414851632 /nfs/dbraw/zinc/85/16/32/414851632.db2.gz NGEMDUWTFUNYRR-MGPQQGTHSA-N 2 2 297.443 0.990 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000662968700 414922432 /nfs/dbraw/zinc/92/24/32/414922432.db2.gz WENOYMBRZSQLAI-CPCISQLKSA-N 2 2 257.284 0.689 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)C[C@H]1COCC[NH2+]1 ZINC000662898830 414877752 /nfs/dbraw/zinc/87/77/52/414877752.db2.gz BFEPFIUKJQAHBZ-MNOVXSKESA-N 2 2 266.345 0.459 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900374 414879935 /nfs/dbraw/zinc/87/99/35/414879935.db2.gz LCRRFZGTFDLVKY-UKRRQHHQSA-N 3 2 296.459 0.469 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900374 414879938 /nfs/dbraw/zinc/87/99/38/414879938.db2.gz LCRRFZGTFDLVKY-UKRRQHHQSA-N 3 2 296.459 0.469 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662903221 414883540 /nfs/dbraw/zinc/88/35/40/414883540.db2.gz XNEDWVSIIKNLHM-DCAQKATOSA-N 2 2 266.345 0.444 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2nc3c(s2)C[NH2+]CC3)C1 ZINC000663494547 415078082 /nfs/dbraw/zinc/07/80/82/415078082.db2.gz JGQKOXJNHABLBN-UWVGGRQHSA-N 3 2 266.414 0.958 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2nc3c(s2)C[NH2+]CC3)C1 ZINC000663494547 415078086 /nfs/dbraw/zinc/07/80/86/415078086.db2.gz JGQKOXJNHABLBN-UWVGGRQHSA-N 3 2 266.414 0.958 20 0 CCADLP FC(F)(F)Cn1cc[nH+]c1CN1CCOC2(C[NH2+]C2)C1 ZINC000663511309 415081502 /nfs/dbraw/zinc/08/15/02/415081502.db2.gz FEYIPHBVFJXDIW-UHFFFAOYSA-N 2 2 290.289 0.620 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)NCc2[nH+]ccn2C)[C@@H](C)CO1 ZINC000663973588 415189361 /nfs/dbraw/zinc/18/93/61/415189361.db2.gz BWEXOGMFRDHOLT-RYUDHWBXSA-N 2 2 295.387 0.329 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)NCc2[nH+]ccn2C)[C@@H](C)CO1 ZINC000663973588 415189368 /nfs/dbraw/zinc/18/93/68/415189368.db2.gz BWEXOGMFRDHOLT-RYUDHWBXSA-N 2 2 295.387 0.329 20 0 CCADLP COc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044530694 175194998 /nfs/dbraw/zinc/19/49/98/175194998.db2.gz RKKNYSHPKFEXSS-ZDUSSCGKSA-N 2 2 291.395 0.982 20 0 CCADLP COc1ccccc1CNC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044530694 175194999 /nfs/dbraw/zinc/19/49/99/175194999.db2.gz RKKNYSHPKFEXSS-ZDUSSCGKSA-N 2 2 291.395 0.982 20 0 CCADLP COc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000044530929 175195393 /nfs/dbraw/zinc/19/53/93/175195393.db2.gz BKPUEVZMGQWVQM-CQSZACIVSA-N 2 2 291.395 0.982 20 0 CCADLP COc1cccc(CNC(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000044530929 175195396 /nfs/dbraw/zinc/19/53/96/175195396.db2.gz BKPUEVZMGQWVQM-CQSZACIVSA-N 2 2 291.395 0.982 20 0 CCADLP COc1ccnc(NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000664247029 415299441 /nfs/dbraw/zinc/29/94/41/415299441.db2.gz CYEHFBHMYDMBBQ-UHFFFAOYSA-N 2 2 267.377 0.781 20 0 CCADLP COc1ccnc(NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000664247029 415299443 /nfs/dbraw/zinc/29/94/43/415299443.db2.gz CYEHFBHMYDMBBQ-UHFFFAOYSA-N 2 2 267.377 0.781 20 0 CCADLP C[C@@H](O)CNc1cc(N(C)CC2C[NH+](C)C2)nc[nH+]1 ZINC000664331221 415347145 /nfs/dbraw/zinc/34/71/45/415347145.db2.gz OJDIUWUABFKXFX-SNVBAGLBSA-N 2 2 265.361 0.267 20 0 CCADLP C[C@@H](O)CNc1cc(N(C)CC2C[NH+](C)C2)[nH+]cn1 ZINC000664331221 415347151 /nfs/dbraw/zinc/34/71/51/415347151.db2.gz OJDIUWUABFKXFX-SNVBAGLBSA-N 2 2 265.361 0.267 20 0 CCADLP CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC[NH+](C)CC1 ZINC000665075533 415529928 /nfs/dbraw/zinc/52/99/28/415529928.db2.gz VMFAJEBHSPSRFH-GFCCVEGCSA-N 2 2 276.384 0.998 20 0 CCADLP CO[C@H](C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)[C@@H]1CCOC1 ZINC000665234730 415571976 /nfs/dbraw/zinc/57/19/76/415571976.db2.gz JLWAEVWZLVVEBX-AAVRWANBSA-N 2 2 272.389 0.395 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCCC(=O)OC)CC1 ZINC000078760821 177383219 /nfs/dbraw/zinc/38/32/19/177383219.db2.gz UWYWICOCWJUGKU-UHFFFAOYSA-N 2 2 299.415 0.426 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCN1CC[C@H](C[NH+](C)C)C1 ZINC000192720592 227268663 /nfs/dbraw/zinc/26/86/63/227268663.db2.gz PSAYDFVVGUUBER-UONOGXRCSA-N 2 2 255.406 0.591 20 0 CCADLP C[C@H]1COCC[N@H+]1CCN1CC[C@H](C[NH+](C)C)C1 ZINC000192720592 227268668 /nfs/dbraw/zinc/26/86/68/227268668.db2.gz PSAYDFVVGUUBER-UONOGXRCSA-N 2 2 255.406 0.591 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCN1CC[C@H](C[NH+](C)C)C1 ZINC000192720581 227269143 /nfs/dbraw/zinc/26/91/43/227269143.db2.gz PSAYDFVVGUUBER-ZIAGYGMSSA-N 2 2 255.406 0.591 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCN1CC[C@H](C[NH+](C)C)C1 ZINC000192720581 227269148 /nfs/dbraw/zinc/26/91/48/227269148.db2.gz PSAYDFVVGUUBER-ZIAGYGMSSA-N 2 2 255.406 0.591 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCS(=O)(=O)C2)CC1(C)C ZINC000084623399 544492406 /nfs/dbraw/zinc/49/24/06/544492406.db2.gz LCSBBRCBDKAHPH-WDEREUQCSA-N 2 2 260.403 0.636 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCS(=O)(=O)C2)CC1(C)C ZINC000084623399 544492409 /nfs/dbraw/zinc/49/24/09/544492409.db2.gz LCSBBRCBDKAHPH-WDEREUQCSA-N 2 2 260.403 0.636 20 0 CCADLP O=C1C[C@@H]([NH2+]CCCCn2cc[nH+]c2)CCCN1 ZINC000111826618 544563436 /nfs/dbraw/zinc/56/34/36/544563436.db2.gz UOLOGQOPFSFRLN-LBPRGKRZSA-N 2 2 250.346 0.922 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCSC2)CC1 ZINC000167441722 544727402 /nfs/dbraw/zinc/72/74/02/544727402.db2.gz OWZVCEYBTQRQOR-LLVKDONJSA-N 2 2 257.403 0.246 20 0 CCADLP CCc1nn(C)cc1C[N@H+](CCO)C1CC[NH+](C)CC1 ZINC000183378066 544767704 /nfs/dbraw/zinc/76/77/04/544767704.db2.gz LDMOVDOXBLRVMK-UHFFFAOYSA-N 2 2 280.416 0.871 20 0 CCADLP CCc1nn(C)cc1C[N@@H+](CCO)C1CC[NH+](C)CC1 ZINC000183378066 544767710 /nfs/dbraw/zinc/76/77/10/544767710.db2.gz LDMOVDOXBLRVMK-UHFFFAOYSA-N 2 2 280.416 0.871 20 0 CCADLP COC[C@@H](C)OC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000226043055 544828019 /nfs/dbraw/zinc/82/80/19/544828019.db2.gz CKIOJRWXTLCWEG-AGIUHOORSA-N 2 2 260.378 0.083 20 0 CCADLP COC[C@@H](C)OC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000226043055 544828025 /nfs/dbraw/zinc/82/80/25/544828025.db2.gz CKIOJRWXTLCWEG-AGIUHOORSA-N 2 2 260.378 0.083 20 0 CCADLP COc1cc[nH+]c(CN2CC[NH2+]C[C@H]2C)c1OC ZINC000232196938 544862918 /nfs/dbraw/zinc/86/29/18/544862918.db2.gz FYHLKRVLHXAIJZ-SNVBAGLBSA-N 2 2 251.330 0.893 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000236726741 544885207 /nfs/dbraw/zinc/88/52/07/544885207.db2.gz ZFLSUOGIVXOIMV-AGIUHOORSA-N 2 2 271.405 0.585 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)C2([NH3+])CCCC2)CC1 ZINC000236804986 544887415 /nfs/dbraw/zinc/88/74/15/544887415.db2.gz FTARQHHMFQQFNW-UHFFFAOYSA-N 2 2 283.416 0.827 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC000276546315 544954077 /nfs/dbraw/zinc/95/40/77/544954077.db2.gz GYGPGYWYEBHVLO-UHFFFAOYSA-N 2 2 268.361 0.427 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC000276546315 544954082 /nfs/dbraw/zinc/95/40/82/544954082.db2.gz GYGPGYWYEBHVLO-UHFFFAOYSA-N 2 2 268.361 0.427 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC000276546315 544954085 /nfs/dbraw/zinc/95/40/85/544954085.db2.gz GYGPGYWYEBHVLO-UHFFFAOYSA-N 2 2 268.361 0.427 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC000276546315 544954090 /nfs/dbraw/zinc/95/40/90/544954090.db2.gz GYGPGYWYEBHVLO-UHFFFAOYSA-N 2 2 268.361 0.427 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000253161968 544932897 /nfs/dbraw/zinc/93/28/97/544932897.db2.gz VGCVCQQRGVGWAC-RBSFLKMASA-N 2 2 295.427 0.698 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NCCCC[NH+]1CCOCC1 ZINC000290773408 544969825 /nfs/dbraw/zinc/96/98/25/544969825.db2.gz VPGGMYMUOSOWRU-UHFFFAOYSA-N 2 2 295.387 0.332 20 0 CCADLP CC[N@@H+]1CCCN(C[C@@H](O)C[NH+]2CCOCC2)[C@H](C)C1 ZINC000320351505 545016167 /nfs/dbraw/zinc/01/61/67/545016167.db2.gz PZCUWSFIFWLEDB-CABCVRRESA-N 2 2 285.432 0.096 20 0 CCADLP CC[N@H+]1CCCN(C[C@@H](O)C[NH+]2CCOCC2)[C@H](C)C1 ZINC000320351505 545016170 /nfs/dbraw/zinc/01/61/70/545016170.db2.gz PZCUWSFIFWLEDB-CABCVRRESA-N 2 2 285.432 0.096 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC2(CNC(=O)C2)CC1)C1CC1 ZINC000328670667 545018292 /nfs/dbraw/zinc/01/82/92/545018292.db2.gz MTPJTSVEILKHOL-CYBMUJFWSA-N 2 2 281.400 0.884 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC2(CNC(=O)C2)CC1)C1CC1 ZINC000328670667 545018293 /nfs/dbraw/zinc/01/82/93/545018293.db2.gz MTPJTSVEILKHOL-CYBMUJFWSA-N 2 2 281.400 0.884 20 0 CCADLP Cn1cc[nH+]c1N1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000353953090 545071919 /nfs/dbraw/zinc/07/19/19/545071919.db2.gz YKBUDNLSWIOIRV-UHFFFAOYSA-N 2 2 288.355 0.425 20 0 CCADLP Cn1cc[nH+]c1N1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000353953090 545071921 /nfs/dbraw/zinc/07/19/21/545071921.db2.gz YKBUDNLSWIOIRV-UHFFFAOYSA-N 2 2 288.355 0.425 20 0 CCADLP C[C@@H]1CCCC[N@@H+]1CCC(=O)NCC[NH+]1CCOCC1 ZINC000339232991 545053256 /nfs/dbraw/zinc/05/32/56/545053256.db2.gz LIQBHIBMUSLZAJ-CQSZACIVSA-N 2 2 283.416 0.699 20 0 CCADLP C[C@@H]1CCCC[N@H+]1CCC(=O)NCC[NH+]1CCOCC1 ZINC000339232991 545053259 /nfs/dbraw/zinc/05/32/59/545053259.db2.gz LIQBHIBMUSLZAJ-CQSZACIVSA-N 2 2 283.416 0.699 20 0 CCADLP CC1([NH+]2CCOCC2)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000529907943 269887243 /nfs/dbraw/zinc/88/72/43/269887243.db2.gz BURKMCSWAJUNEJ-UHFFFAOYSA-N 2 2 292.383 0.596 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CC(=O)N(C)C)CC1 ZINC000154029371 287684520 /nfs/dbraw/zinc/68/45/20/287684520.db2.gz MKIRPOSVQBRVCY-HUUCEWRRSA-N 2 2 296.459 0.565 20 0 CCADLP COC[C@H](O)C[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000341092179 274051186 /nfs/dbraw/zinc/05/11/86/274051186.db2.gz SELNKEKQBOXBCS-CYBMUJFWSA-N 2 2 265.357 0.519 20 0 CCADLP CC1(C)CN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC[NH2+]1 ZINC000333598595 276123632 /nfs/dbraw/zinc/12/36/32/276123632.db2.gz BSJVYVRYNSJFEJ-SNVBAGLBSA-N 2 2 277.372 0.660 20 0 CCADLP CC1(C)CN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC[NH2+]1 ZINC000333598595 276123634 /nfs/dbraw/zinc/12/36/34/276123634.db2.gz BSJVYVRYNSJFEJ-SNVBAGLBSA-N 2 2 277.372 0.660 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+][C@@H]2CCc3nc(C)nn3C2)[C@@H](C)C1 ZINC000344056728 276253637 /nfs/dbraw/zinc/25/36/37/276253637.db2.gz IJOKEGWNFQJFKE-UHTWSYAYSA-N 2 2 263.389 0.831 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+][C@@H]2CCc3nc(C)nn3C2)[C@@H](C)C1 ZINC000344056728 276253638 /nfs/dbraw/zinc/25/36/38/276253638.db2.gz IJOKEGWNFQJFKE-UHTWSYAYSA-N 2 2 263.389 0.831 20 0 CCADLP CCOCC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131356243 276317979 /nfs/dbraw/zinc/31/79/79/276317979.db2.gz AAKJBUKTGKCKHQ-CYBMUJFWSA-N 2 2 269.389 0.437 20 0 CCADLP CCOCC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131356243 276317980 /nfs/dbraw/zinc/31/79/80/276317980.db2.gz AAKJBUKTGKCKHQ-CYBMUJFWSA-N 2 2 269.389 0.437 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000362710486 276323099 /nfs/dbraw/zinc/32/30/99/276323099.db2.gz JWTCLUJMFKFXIY-CQSZACIVSA-N 3 2 296.459 0.613 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000362710486 276323100 /nfs/dbraw/zinc/32/31/00/276323100.db2.gz JWTCLUJMFKFXIY-CQSZACIVSA-N 3 2 296.459 0.613 20 0 CCADLP C[NH2+]CCC[N@H+](C)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000420382356 277022076 /nfs/dbraw/zinc/02/20/76/277022076.db2.gz AHMVEEJOHWDRLE-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH2+]CCC[N@@H+](C)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000420382356 277022077 /nfs/dbraw/zinc/02/20/77/277022077.db2.gz AHMVEEJOHWDRLE-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP CC(=O)[C@@](C)(O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000451073407 277098092 /nfs/dbraw/zinc/09/80/92/277098092.db2.gz ZVZXYEUCGUXDLG-UONOGXRCSA-N 2 2 254.374 0.744 20 0 CCADLP CC(=O)[C@@](C)(O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000451073407 277098093 /nfs/dbraw/zinc/09/80/93/277098093.db2.gz ZVZXYEUCGUXDLG-UONOGXRCSA-N 2 2 254.374 0.744 20 0 CCADLP CC(=O)[C@@](C)(O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000451073407 277098094 /nfs/dbraw/zinc/09/80/94/277098094.db2.gz ZVZXYEUCGUXDLG-UONOGXRCSA-N 2 2 254.374 0.744 20 0 CCADLP CC(=O)[C@@](C)(O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000451073407 277098095 /nfs/dbraw/zinc/09/80/95/277098095.db2.gz ZVZXYEUCGUXDLG-UONOGXRCSA-N 2 2 254.374 0.744 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)C(C)C ZINC000252858689 277099444 /nfs/dbraw/zinc/09/94/44/277099444.db2.gz MAEMYEWZQJHMKT-TTZDDIAXSA-N 2 2 295.427 0.775 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)C(C)C ZINC000252858689 277099445 /nfs/dbraw/zinc/09/94/45/277099445.db2.gz MAEMYEWZQJHMKT-TTZDDIAXSA-N 2 2 295.427 0.775 20 0 CCADLP C[N@@H+]1CCc2nc(NC(=O)[C@H]3CCC[NH2+]3)sc2C1 ZINC000082258009 277188606 /nfs/dbraw/zinc/18/86/06/277188606.db2.gz INFGRFYFWDUXBK-SECBINFHSA-N 2 2 266.370 0.822 20 0 CCADLP C[N@H+]1CCc2nc(NC(=O)[C@H]3CCC[NH2+]3)sc2C1 ZINC000082258009 277188607 /nfs/dbraw/zinc/18/86/07/277188607.db2.gz INFGRFYFWDUXBK-SECBINFHSA-N 2 2 266.370 0.822 20 0 CCADLP CNC(=O)[C@]1(C)CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425390550 277254965 /nfs/dbraw/zinc/25/49/65/277254965.db2.gz YUIWBUVZGXNYDA-CQSZACIVSA-N 2 2 279.388 0.444 20 0 CCADLP CNC(=O)[C@]1(C)CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425390550 277254966 /nfs/dbraw/zinc/25/49/66/277254966.db2.gz YUIWBUVZGXNYDA-CQSZACIVSA-N 2 2 279.388 0.444 20 0 CCADLP CO[C@@H](C)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000374715054 277276310 /nfs/dbraw/zinc/27/63/10/277276310.db2.gz NBWCMGCPJIGQHH-WCQYABFASA-N 2 2 269.389 0.435 20 0 CCADLP CO[C@@H](C)C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000374715054 277276312 /nfs/dbraw/zinc/27/63/12/277276312.db2.gz NBWCMGCPJIGQHH-WCQYABFASA-N 2 2 269.389 0.435 20 0 CCADLP C[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369275235 278034576 /nfs/dbraw/zinc/03/45/76/278034576.db2.gz WSUWGIMRTLHSIB-MBNYWOFBSA-N 2 2 265.401 0.927 20 0 CCADLP C[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369275235 278034578 /nfs/dbraw/zinc/03/45/78/278034578.db2.gz WSUWGIMRTLHSIB-MBNYWOFBSA-N 2 2 265.401 0.927 20 0 CCADLP C[C@@H]1OCC[NH2+][C@H]1C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000361083220 278054120 /nfs/dbraw/zinc/05/41/20/278054120.db2.gz XKSIKWYGPVJZQT-IINYFYTJSA-N 2 2 291.351 0.484 20 0 CCADLP C[C@H](C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)[NH+]1CCN(C)CC1 ZINC000360085567 278135206 /nfs/dbraw/zinc/13/52/06/278135206.db2.gz QGDKHMFJIIDKHN-CABCVRRESA-N 2 2 296.459 0.423 20 0 CCADLP C[C@H](C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)[NH+]1CCN(C)CC1 ZINC000360085567 278135207 /nfs/dbraw/zinc/13/52/07/278135207.db2.gz QGDKHMFJIIDKHN-CABCVRRESA-N 2 2 296.459 0.423 20 0 CCADLP CC(=O)[C@](C)(O)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000450644986 278238581 /nfs/dbraw/zinc/23/85/81/278238581.db2.gz ODHFPFYTIBGLRX-CYBMUJFWSA-N 2 2 254.374 0.887 20 0 CCADLP CC(=O)[C@](C)(O)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000450644986 278238583 /nfs/dbraw/zinc/23/85/83/278238583.db2.gz ODHFPFYTIBGLRX-CYBMUJFWSA-N 2 2 254.374 0.887 20 0 CCADLP C[C@@H](CN1CCOCC1)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000070143091 278265403 /nfs/dbraw/zinc/26/54/03/278265403.db2.gz HTUUERDMFAVLDP-LBPRGKRZSA-N 2 2 281.404 0.296 20 0 CCADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)C(C)(C)n1cncn1 ZINC000353427593 278352079 /nfs/dbraw/zinc/35/20/79/278352079.db2.gz OXXOUWGNIZZXCN-CHWSQXEVSA-N 2 2 280.420 0.237 20 0 CCADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)C(C)(C)n1cncn1 ZINC000353427593 278352080 /nfs/dbraw/zinc/35/20/80/278352080.db2.gz OXXOUWGNIZZXCN-CHWSQXEVSA-N 2 2 280.420 0.237 20 0 CCADLP CC1CC[NH+](CC[NH2+]C2CCN(C(N)=O)CC2)CC1 ZINC000040772116 278544878 /nfs/dbraw/zinc/54/48/78/278544878.db2.gz JGELBEAHRUFZOB-UHFFFAOYSA-N 2 2 268.405 0.851 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000126777629 278567439 /nfs/dbraw/zinc/56/74/39/278567439.db2.gz ZXACWDWSMXFOAJ-DGCLKSJQSA-N 2 2 251.374 0.681 20 0 CCADLP Cc1cc[nH+]cc1N1CCN(C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000418479269 278991283 /nfs/dbraw/zinc/99/12/83/278991283.db2.gz YPYNFRRHGKXXQQ-LBPRGKRZSA-N 2 2 291.399 0.816 20 0 CCADLP CCN(C)C(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000130526448 279015785 /nfs/dbraw/zinc/01/57/85/279015785.db2.gz HKNDPMZPONZTES-AWEZNQCLSA-N 2 2 283.416 0.509 20 0 CCADLP CCN(C)C(=O)CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000130526448 279015786 /nfs/dbraw/zinc/01/57/86/279015786.db2.gz HKNDPMZPONZTES-AWEZNQCLSA-N 2 2 283.416 0.509 20 0 CCADLP CC[NH+](CC)C[C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000336797884 279125135 /nfs/dbraw/zinc/12/51/35/279125135.db2.gz BXMJBMJDOWDZOZ-HNNXBMFYSA-N 2 2 269.433 0.982 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000133931989 279373143 /nfs/dbraw/zinc/37/31/43/279373143.db2.gz QUEIWQBWNRNENC-UPJWGTAASA-N 2 2 253.390 0.580 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000356265691 279378534 /nfs/dbraw/zinc/37/85/34/279378534.db2.gz XLHVCTKEUJRGBC-ZBFHGGJFSA-N 2 2 295.427 0.651 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000356265691 279378535 /nfs/dbraw/zinc/37/85/35/279378535.db2.gz XLHVCTKEUJRGBC-ZBFHGGJFSA-N 2 2 295.427 0.651 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000356265691 279378536 /nfs/dbraw/zinc/37/85/36/279378536.db2.gz XLHVCTKEUJRGBC-ZBFHGGJFSA-N 2 2 295.427 0.651 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000356265691 279378537 /nfs/dbraw/zinc/37/85/37/279378537.db2.gz XLHVCTKEUJRGBC-ZBFHGGJFSA-N 2 2 295.427 0.651 20 0 CCADLP CC(C)[C@@H](C[NH3+])C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000433169963 279834415 /nfs/dbraw/zinc/83/44/15/279834415.db2.gz UEDJNZFSRANFIL-ZIAGYGMSSA-N 2 2 283.416 0.541 20 0 CCADLP O=C([C@H]1CCC[N@@H+]1C1CC1)N1CCn2c[nH+]cc2C1 ZINC000291082360 280131869 /nfs/dbraw/zinc/13/18/69/280131869.db2.gz JXXMLDYJAYMPAK-CYBMUJFWSA-N 2 2 260.341 0.852 20 0 CCADLP O=C([C@H]1CCC[N@H+]1C1CC1)N1CCn2c[nH+]cc2C1 ZINC000291082360 280131870 /nfs/dbraw/zinc/13/18/70/280131870.db2.gz JXXMLDYJAYMPAK-CYBMUJFWSA-N 2 2 260.341 0.852 20 0 CCADLP C[C@]1(F)C[NH2+]CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000336212377 280163639 /nfs/dbraw/zinc/16/36/39/280163639.db2.gz SDHDTXOZTULDJH-HOCLYGCPSA-N 2 2 291.370 0.861 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000418376414 280284508 /nfs/dbraw/zinc/28/45/08/280284508.db2.gz GEJZBKRWJSDPDF-ZIAGYGMSSA-N 2 2 298.431 0.476 20 0 CCADLP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000353459259 280480082 /nfs/dbraw/zinc/48/00/82/280480082.db2.gz LQUXZFXJQBXDOG-HZSPNIEDSA-N 2 2 283.416 0.457 20 0 CCADLP Cc1ccc([C@@H](CNC(=O)[C@@H](C)[NH3+])[NH+]2CCOCC2)cc1 ZINC000165673825 280945468 /nfs/dbraw/zinc/94/54/68/280945468.db2.gz AANLOBVFAONBIQ-UKRRQHHQSA-N 2 2 291.395 0.832 20 0 CCADLP C[NH+](C)[C@H]1CCCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C1 ZINC000188754317 289372650 /nfs/dbraw/zinc/37/26/50/289372650.db2.gz FNLVVPAUYKECHG-JTQLQIEISA-N 2 2 277.372 0.222 20 0 CCADLP C[NH+]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000365147878 290027179 /nfs/dbraw/zinc/02/71/79/290027179.db2.gz DONNANDWKAWNTH-CQSZACIVSA-N 2 2 281.400 0.404 20 0 CCADLP C[NH+]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000365147878 290027180 /nfs/dbraw/zinc/02/71/80/290027180.db2.gz DONNANDWKAWNTH-CQSZACIVSA-N 2 2 281.400 0.404 20 0 CCADLP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000422872679 293097355 /nfs/dbraw/zinc/09/73/55/293097355.db2.gz IEYOXNLXXNBNHY-SGMGOOAPSA-N 3 2 255.406 0.813 20 0 CCADLP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000422872679 293097360 /nfs/dbraw/zinc/09/73/60/293097360.db2.gz IEYOXNLXXNBNHY-SGMGOOAPSA-N 3 2 255.406 0.813 20 0 CCADLP CO[C@H](C)[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000360895563 294316830 /nfs/dbraw/zinc/31/68/30/294316830.db2.gz XGNKYZOKDDVSPD-MCIONIFRSA-N 2 2 285.432 0.942 20 0 CCADLP CO[C@H](C)[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000360895563 294316834 /nfs/dbraw/zinc/31/68/34/294316834.db2.gz XGNKYZOKDDVSPD-MCIONIFRSA-N 2 2 285.432 0.942 20 0 CCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NCC(F)(F)F ZINC000424338187 295300579 /nfs/dbraw/zinc/30/05/79/295300579.db2.gz UBDPXZNTPBYHAO-HTQZYQBOSA-N 2 2 296.293 0.234 20 0 CCADLP C[C@@H]1COCC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000354123975 297139366 /nfs/dbraw/zinc/13/93/66/297139366.db2.gz FHSLEYRTTRQYSS-ILXRZTDVSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]1COCC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000354123975 297139369 /nfs/dbraw/zinc/13/93/69/297139369.db2.gz FHSLEYRTTRQYSS-ILXRZTDVSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H](C(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C)[NH+]1CCSCC1 ZINC000352015947 298092933 /nfs/dbraw/zinc/09/29/33/298092933.db2.gz UCOLEEWEIVGULT-FRRDWIJNSA-N 2 2 285.457 0.975 20 0 CCADLP C[C@H](C(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C)[NH+]1CCSCC1 ZINC000352015947 298092936 /nfs/dbraw/zinc/09/29/36/298092936.db2.gz UCOLEEWEIVGULT-FRRDWIJNSA-N 2 2 285.457 0.975 20 0 CCADLP Cc1cccc([C@@H](CNC(=O)C[NH3+])[NH+]2CCOCC2)c1 ZINC000237724767 302020824 /nfs/dbraw/zinc/02/08/24/302020824.db2.gz KNBNOSQQANSVNK-CQSZACIVSA-N 2 2 277.368 0.443 20 0 CCADLP C[C@H](O)CCC[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000584113587 327040827 /nfs/dbraw/zinc/04/08/27/327040827.db2.gz YIZZENCMCREIJA-IGQOVBAYSA-N 2 2 274.405 0.207 20 0 CCADLP C[C@H](O)CCC[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000584113587 327040828 /nfs/dbraw/zinc/04/08/28/327040828.db2.gz YIZZENCMCREIJA-IGQOVBAYSA-N 2 2 274.405 0.207 20 0 CCADLP [NH3+][C@@H](C(=O)NC[C@H]1C[NH2+]CCO1)c1c(F)cccc1F ZINC000573919922 327272410 /nfs/dbraw/zinc/27/24/10/327272410.db2.gz ZPMCXNJUDHHPSW-PRHODGIISA-N 2 2 285.294 0.069 20 0 CCADLP CN(C(=O)NCc1c[nH+]cn1C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000574334058 327315310 /nfs/dbraw/zinc/31/53/10/327315310.db2.gz GLPGBUSASIDCRT-LBPRGKRZSA-N 2 2 277.372 0.798 20 0 CCADLP CN(C(=O)NCc1c[nH+]cn1C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000574334058 327315311 /nfs/dbraw/zinc/31/53/11/327315311.db2.gz GLPGBUSASIDCRT-LBPRGKRZSA-N 2 2 277.372 0.798 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000579588572 327393349 /nfs/dbraw/zinc/39/33/49/327393349.db2.gz BZEFARWIGLODCK-VXGBXAGGSA-N 2 2 279.388 0.048 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CC2([S@@](C)=O)CC2)n1C ZINC000380180844 327421070 /nfs/dbraw/zinc/42/10/70/327421070.db2.gz QQSFPELOTJEJQW-GOSISDBHSA-N 2 2 270.402 0.487 20 0 CCADLP C[C@H](CC(=O)N[C@H](CO)C[NH+]1CCCCC1)n1cc[nH+]c1 ZINC000570167763 327573534 /nfs/dbraw/zinc/57/35/34/327573534.db2.gz KCYTWCGVEMDEML-KGLIPLIRSA-N 2 2 294.399 0.797 20 0 CCADLP COC(=O)[C@H](C1CC1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000582853837 329280584 /nfs/dbraw/zinc/28/05/84/329280584.db2.gz MTIJSQASYWSBMY-NSHDSACASA-N 2 2 264.329 0.483 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000582909525 329286983 /nfs/dbraw/zinc/28/69/83/329286983.db2.gz OBRRUZIZHBJHLR-IMJJTQAJSA-N 3 2 281.444 0.906 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000582909525 329286984 /nfs/dbraw/zinc/28/69/84/329286984.db2.gz OBRRUZIZHBJHLR-IMJJTQAJSA-N 3 2 281.444 0.906 20 0 CCADLP C[NH2+]C[C@](C)(O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000582909525 329286986 /nfs/dbraw/zinc/28/69/86/329286986.db2.gz OBRRUZIZHBJHLR-IMJJTQAJSA-N 3 2 281.444 0.906 20 0 CCADLP C[NH2+]C[C@](C)(O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000582909525 329286988 /nfs/dbraw/zinc/28/69/88/329286988.db2.gz OBRRUZIZHBJHLR-IMJJTQAJSA-N 3 2 281.444 0.906 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)c1ccccc1CC[NH3+] ZINC000583211172 329367793 /nfs/dbraw/zinc/36/77/93/329367793.db2.gz SPZYPPAIPNNAMB-UHFFFAOYSA-N 2 2 291.395 0.592 20 0 CCADLP O=C(NCCCCn1cc[nH+]c1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000584527591 329512792 /nfs/dbraw/zinc/51/27/92/329512792.db2.gz VNWYHYXVKCFHQG-JSGCOSHPSA-N 2 2 262.357 0.779 20 0 CCADLP COC[C@H](C)C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000575741929 335110805 /nfs/dbraw/zinc/11/08/05/335110805.db2.gz XTLOPIMASHGGTP-MQYQWHSLSA-N 2 2 274.405 0.329 20 0 CCADLP COC[C@H](C)C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000575741929 335110807 /nfs/dbraw/zinc/11/08/07/335110807.db2.gz XTLOPIMASHGGTP-MQYQWHSLSA-N 2 2 274.405 0.329 20 0 CCADLP O=C1NCC[C@@H]1CC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000575932618 335133069 /nfs/dbraw/zinc/13/30/69/335133069.db2.gz PAMQPDKHGGNHED-LSDHHAIUSA-N 2 2 295.427 0.557 20 0 CCADLP O=C1NCC[C@@H]1CC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000575932618 335133070 /nfs/dbraw/zinc/13/30/70/335133070.db2.gz PAMQPDKHGGNHED-LSDHHAIUSA-N 2 2 295.427 0.557 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH+]1CCCC1 ZINC000554497515 334432665 /nfs/dbraw/zinc/43/26/65/334432665.db2.gz PRROCVNXAPIXCL-NSHDSACASA-N 2 2 250.346 0.563 20 0 CCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NCCn1cc[nH+]c1)C2 ZINC000576388543 335197023 /nfs/dbraw/zinc/19/70/23/335197023.db2.gz PLHZNEHSZMBFOA-LBPRGKRZSA-N 2 2 273.340 0.767 20 0 CCADLP CC(C)Cn1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cn1 ZINC000576479176 335210064 /nfs/dbraw/zinc/21/00/64/335210064.db2.gz BLXAEIHBNHAKSS-ZIAGYGMSSA-N 2 2 291.399 0.283 20 0 CCADLP CC(C)Cn1cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cn1 ZINC000576479176 335210066 /nfs/dbraw/zinc/21/00/66/335210066.db2.gz BLXAEIHBNHAKSS-ZIAGYGMSSA-N 2 2 291.399 0.283 20 0 CCADLP Cn1c[nH+]cc1CCC[NH+]1CCN(c2cccnn2)CC1 ZINC000576526792 335215171 /nfs/dbraw/zinc/21/51/71/335215171.db2.gz IYZPVCKHYZQTEJ-UHFFFAOYSA-N 2 2 286.383 0.965 20 0 CCADLP C[C@@H]1CC[C@@H](CCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])O1 ZINC000576581165 335221458 /nfs/dbraw/zinc/22/14/58/335221458.db2.gz DQQCKOYNYWGZTD-AGIUHOORSA-N 2 2 269.389 0.435 20 0 CCADLP C[C@@H]1CC[C@@H](CCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])O1 ZINC000576581165 335221460 /nfs/dbraw/zinc/22/14/60/335221460.db2.gz DQQCKOYNYWGZTD-AGIUHOORSA-N 2 2 269.389 0.435 20 0 CCADLP CC[N@H+](C)C[C@H](O)CN1CCN(c2c[nH+]ccc2C)CC1 ZINC000576644442 335230418 /nfs/dbraw/zinc/23/04/18/335230418.db2.gz FYDASKMFMXPDEA-HNNXBMFYSA-N 2 2 292.427 0.825 20 0 CCADLP CC[N@@H+](C)C[C@H](O)CN1CCN(c2c[nH+]ccc2C)CC1 ZINC000576644442 335230419 /nfs/dbraw/zinc/23/04/19/335230419.db2.gz FYDASKMFMXPDEA-HNNXBMFYSA-N 2 2 292.427 0.825 20 0 CCADLP C[C@@H]1CCCC[C@H]1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000576847946 335255480 /nfs/dbraw/zinc/25/54/80/335255480.db2.gz JVJSTSUTHBMPMU-JHJVBQTASA-N 2 2 268.405 0.849 20 0 CCADLP C[C@@H]1CCCC[C@H]1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000576847946 335255481 /nfs/dbraw/zinc/25/54/81/335255481.db2.gz JVJSTSUTHBMPMU-JHJVBQTASA-N 2 2 268.405 0.849 20 0 CCADLP CC(C)NC(=O)NCC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000580559102 335280634 /nfs/dbraw/zinc/28/06/34/335280634.db2.gz XNWHBHOFDMUOJQ-UHFFFAOYSA-N 2 2 294.403 0.250 20 0 CCADLP CC(C)C[NH+]1CCN(C(=O)NCCc2cn(C)c[nH+]2)CC1 ZINC000577158627 335312217 /nfs/dbraw/zinc/31/22/17/335312217.db2.gz HDUWTWSKKNNFQY-UHFFFAOYSA-N 2 2 293.415 0.946 20 0 CCADLP Cc1cccc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])n1 ZINC000577207364 335322798 /nfs/dbraw/zinc/32/27/98/335322798.db2.gz KULKCNSHSWBTBX-CYBMUJFWSA-N 2 2 277.372 0.174 20 0 CCADLP Cc1cccc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000577207364 335322799 /nfs/dbraw/zinc/32/27/99/335322799.db2.gz KULKCNSHSWBTBX-CYBMUJFWSA-N 2 2 277.372 0.174 20 0 CCADLP Cc1[nH+]ccn1CCC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000577215830 335324259 /nfs/dbraw/zinc/32/42/59/335324259.db2.gz ULQSLSWBHQRYFF-AWEZNQCLSA-N 3 2 266.389 0.626 20 0 CCADLP CC(C)c1nc(N2C[C@@H](C)[C@@H]([NH3+])C2)nc(N(C)C)[nH+]1 ZINC000577270725 335332680 /nfs/dbraw/zinc/33/26/80/335332680.db2.gz XIJNOBPEIWMDHC-ZJUUUORDSA-N 2 2 264.377 0.844 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCc2cnccn2)C[C@H](C)O1 ZINC000577485428 335357609 /nfs/dbraw/zinc/35/76/09/335357609.db2.gz VMGNMSIKWZAEPQ-VNHYZAJKSA-N 2 2 294.399 0.079 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCc2cnccn2)C[C@H](C)O1 ZINC000577485428 335357610 /nfs/dbraw/zinc/35/76/10/335357610.db2.gz VMGNMSIKWZAEPQ-VNHYZAJKSA-N 2 2 294.399 0.079 20 0 CCADLP CCOC(=O)[C@@H](C)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177376548 335371246 /nfs/dbraw/zinc/37/12/46/335371246.db2.gz YZFSXXJKVLXFCK-CYBMUJFWSA-N 2 2 285.432 0.896 20 0 CCADLP CCOC(=O)[C@@H](C)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177376548 335371247 /nfs/dbraw/zinc/37/12/47/335371247.db2.gz YZFSXXJKVLXFCK-CYBMUJFWSA-N 2 2 285.432 0.896 20 0 CCADLP [NH3+][C@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000578767509 335672628 /nfs/dbraw/zinc/67/26/28/335672628.db2.gz NUINVKXBIFWGGU-JTQLQIEISA-N 2 2 257.297 0.441 20 0 CCADLP O=C(c1ccc2[nH+]ccn2c1)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000579112311 335710674 /nfs/dbraw/zinc/71/06/74/335710674.db2.gz BZNWWLDEHAZPHF-STQMWFEESA-N 2 2 286.335 0.537 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)c1cnccn1)[C@@H]1CCCC[NH2+]1 ZINC000581005767 335994827 /nfs/dbraw/zinc/99/48/27/335994827.db2.gz IQDRELNMJHFARK-NEPJUHHUSA-N 2 2 277.372 0.327 20 0 CCADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000581357599 336060042 /nfs/dbraw/zinc/06/00/42/336060042.db2.gz NECOAMSPQWKZQD-AWEZNQCLSA-N 2 2 286.379 0.934 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)C(C)(C)O ZINC000382972353 336100418 /nfs/dbraw/zinc/10/04/18/336100418.db2.gz RARSCILTNGBUON-NWDGAFQWSA-N 2 2 262.394 0.017 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)C(C)(C)O ZINC000382972353 336100420 /nfs/dbraw/zinc/10/04/20/336100420.db2.gz RARSCILTNGBUON-NWDGAFQWSA-N 2 2 262.394 0.017 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)C(C)(C)O ZINC000382972353 336100421 /nfs/dbraw/zinc/10/04/21/336100421.db2.gz RARSCILTNGBUON-NWDGAFQWSA-N 2 2 262.394 0.017 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)C(C)(C)O ZINC000382972353 336100422 /nfs/dbraw/zinc/10/04/22/336100422.db2.gz RARSCILTNGBUON-NWDGAFQWSA-N 2 2 262.394 0.017 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1cccc(O)c1)C1CC1 ZINC000383639238 336116155 /nfs/dbraw/zinc/11/61/55/336116155.db2.gz MOOKKBDPVFCHNL-AWEZNQCLSA-N 2 2 250.342 0.937 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1cccc(O)c1)C1CC1 ZINC000383639238 336116157 /nfs/dbraw/zinc/11/61/57/336116157.db2.gz MOOKKBDPVFCHNL-AWEZNQCLSA-N 2 2 250.342 0.937 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)N[C@H]2CC[NH2+]C2)CC1(C)C ZINC000581678505 336127607 /nfs/dbraw/zinc/12/76/07/336127607.db2.gz QNYHFIOGJUQUCE-QWRGUYRKSA-N 2 2 277.372 0.875 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000581678685 336127611 /nfs/dbraw/zinc/12/76/11/336127611.db2.gz YKVJPZLNVRJHSE-LLVKDONJSA-N 2 2 289.339 0.372 20 0 CCADLP C[N@H+](CC(=O)NCCc1ccc(F)cc1)C1CC([NH3+])C1 ZINC000384746975 336130312 /nfs/dbraw/zinc/13/03/12/336130312.db2.gz NFUKOUDRTDQBGW-UHFFFAOYSA-N 2 2 279.359 0.906 20 0 CCADLP C[N@@H+](CC(=O)NCCc1ccc(F)cc1)C1CC([NH3+])C1 ZINC000384746975 336130313 /nfs/dbraw/zinc/13/03/13/336130313.db2.gz NFUKOUDRTDQBGW-UHFFFAOYSA-N 2 2 279.359 0.906 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000581858148 336152210 /nfs/dbraw/zinc/15/22/10/336152210.db2.gz MCVHHCSMRLMJEW-LBPRGKRZSA-N 2 2 259.313 0.771 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCNC(=O)C(C)C ZINC000581862712 336153494 /nfs/dbraw/zinc/15/34/94/336153494.db2.gz WIPYDUXEEVMFEM-GFCCVEGCSA-N 2 2 259.394 0.003 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCNC(=O)C(C)C ZINC000581862712 336153496 /nfs/dbraw/zinc/15/34/96/336153496.db2.gz WIPYDUXEEVMFEM-GFCCVEGCSA-N 2 2 259.394 0.003 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCNC(=O)C(C)C ZINC000581862712 336153497 /nfs/dbraw/zinc/15/34/97/336153497.db2.gz WIPYDUXEEVMFEM-GFCCVEGCSA-N 2 2 259.394 0.003 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCNC(=O)C(C)C ZINC000581862712 336153499 /nfs/dbraw/zinc/15/34/99/336153499.db2.gz WIPYDUXEEVMFEM-GFCCVEGCSA-N 2 2 259.394 0.003 20 0 CCADLP [NH3+][C@H](CC(F)F)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000385788348 336156622 /nfs/dbraw/zinc/15/66/22/336156622.db2.gz IDOXAMNVUKMSBO-GFCCVEGCSA-N 2 2 298.337 0.708 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CSC ZINC000386279486 336170006 /nfs/dbraw/zinc/17/00/06/336170006.db2.gz ZHYCNRPVHCANJK-QWHCGFSZSA-N 2 2 276.446 0.753 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CSC ZINC000386279486 336170007 /nfs/dbraw/zinc/17/00/07/336170007.db2.gz ZHYCNRPVHCANJK-QWHCGFSZSA-N 2 2 276.446 0.753 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1CSC ZINC000386279486 336170009 /nfs/dbraw/zinc/17/00/09/336170009.db2.gz ZHYCNRPVHCANJK-QWHCGFSZSA-N 2 2 276.446 0.753 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1CSC ZINC000386279486 336170011 /nfs/dbraw/zinc/17/00/11/336170011.db2.gz ZHYCNRPVHCANJK-QWHCGFSZSA-N 2 2 276.446 0.753 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000386344924 336171358 /nfs/dbraw/zinc/17/13/58/336171358.db2.gz MEJOTVXOXRDZCR-AAEUAGOBSA-N 3 2 252.362 0.316 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000386344924 336171359 /nfs/dbraw/zinc/17/13/59/336171359.db2.gz MEJOTVXOXRDZCR-AAEUAGOBSA-N 3 2 252.362 0.316 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)NCCCn2cc[nH+]c2)C1 ZINC000416440722 545093613 /nfs/dbraw/zinc/09/36/13/545093613.db2.gz TUIMDVAAANQVPZ-VXGBXAGGSA-N 2 2 265.361 0.842 20 0 CCADLP C[C@H](NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)[C@H](C)[NH+]1CCOCC1 ZINC000417513918 545094100 /nfs/dbraw/zinc/09/41/00/545094100.db2.gz ALLXYYHXOSHGOE-IGQOVBAYSA-N 2 2 298.431 0.665 20 0 CCADLP C[C@@H](O)[C@@H]1CCN(c2cc(N(C)CC[NH+](C)C)nc[nH+]2)C1 ZINC000413190322 533805820 /nfs/dbraw/zinc/80/58/20/533805820.db2.gz ZYMPEFNZRMVQRJ-CHWSQXEVSA-N 2 2 293.415 0.682 20 0 CCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493666584 533834134 /nfs/dbraw/zinc/83/41/34/533834134.db2.gz WCTRCARHKKNICS-PCAWENJQSA-N 2 2 277.372 0.175 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NCC1([NH3+])CCCCC1 ZINC000418207638 545094474 /nfs/dbraw/zinc/09/44/74/545094474.db2.gz BXJKJAKEYMLGLK-UHFFFAOYSA-N 2 2 265.361 0.881 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCC(C)(C)[NH3+] ZINC000418414413 533853635 /nfs/dbraw/zinc/85/36/35/533853635.db2.gz LDUSRLBQHGVNDT-NSHDSACASA-N 2 2 272.393 0.086 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000358488225 534017007 /nfs/dbraw/zinc/01/70/07/534017007.db2.gz AIVMIIKNIHCPSQ-GFCCVEGCSA-N 2 2 294.403 0.187 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](OC)C2)CC1 ZINC000361374544 535638531 /nfs/dbraw/zinc/63/85/31/535638531.db2.gz XQVSPJCNQYBUQF-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](OC)C2)CC1 ZINC000361374544 535638533 /nfs/dbraw/zinc/63/85/33/535638533.db2.gz XQVSPJCNQYBUQF-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@H](O)C[N@H+](C)C1CC[NH+](C[C@@H]2CN(C)C(=O)O2)CC1 ZINC000495656199 534070302 /nfs/dbraw/zinc/07/03/02/534070302.db2.gz YBAFSSZDERMJDK-AAEUAGOBSA-N 2 2 285.388 0.214 20 0 CCADLP C[C@H](O)C[N@@H+](C)C1CC[NH+](C[C@@H]2CN(C)C(=O)O2)CC1 ZINC000495656199 534070306 /nfs/dbraw/zinc/07/03/06/534070306.db2.gz YBAFSSZDERMJDK-AAEUAGOBSA-N 2 2 285.388 0.214 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)o1 ZINC000358294882 534140444 /nfs/dbraw/zinc/14/04/44/534140444.db2.gz HBXAERAUVBWRAU-ZDUSSCGKSA-N 2 2 268.313 0.222 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)o1 ZINC000358294882 534140452 /nfs/dbraw/zinc/14/04/52/534140452.db2.gz HBXAERAUVBWRAU-ZDUSSCGKSA-N 2 2 268.313 0.222 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1c[nH+]cn1C ZINC000426484854 534225983 /nfs/dbraw/zinc/22/59/83/534225983.db2.gz UZVQTYGRTKZNQQ-PHIMTYICSA-N 2 2 250.346 0.909 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1c[nH+]cn1C ZINC000426484854 534225989 /nfs/dbraw/zinc/22/59/89/534225989.db2.gz UZVQTYGRTKZNQQ-PHIMTYICSA-N 2 2 250.346 0.909 20 0 CCADLP CC[NH+](CC)CCCN1CC[N@@H+]2CCOC[C@H]2C1 ZINC000365188930 520606981 /nfs/dbraw/zinc/60/69/81/520606981.db2.gz HZWUUXYLMZODOW-CQSZACIVSA-N 2 2 255.406 0.735 20 0 CCADLP CC[NH+](CC)CCCN1CC[N@H+]2CCOC[C@H]2C1 ZINC000365188930 520606986 /nfs/dbraw/zinc/60/69/86/520606986.db2.gz HZWUUXYLMZODOW-CQSZACIVSA-N 2 2 255.406 0.735 20 0 CCADLP CC[NH+](CC)CCC[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000365188930 520606990 /nfs/dbraw/zinc/60/69/90/520606990.db2.gz HZWUUXYLMZODOW-CQSZACIVSA-N 2 2 255.406 0.735 20 0 CCADLP CC[NH+](CC)CCC[N@H+]1CCN2CCOC[C@H]2C1 ZINC000365188930 520606994 /nfs/dbraw/zinc/60/69/94/520606994.db2.gz HZWUUXYLMZODOW-CQSZACIVSA-N 2 2 255.406 0.735 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]Cc1cnc2c(c1)c(C)nn2C ZINC000184549973 521118291 /nfs/dbraw/zinc/11/82/91/521118291.db2.gz IEKKUHJCOLTBRV-UHFFFAOYSA-N 2 2 291.399 0.681 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]Cc1cnc2c(c1)c(C)nn2C ZINC000184549973 521118301 /nfs/dbraw/zinc/11/83/01/521118301.db2.gz IEKKUHJCOLTBRV-UHFFFAOYSA-N 2 2 291.399 0.681 20 0 CCADLP Cc1c[nH+]c(CN2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)n1C ZINC000418121691 534552169 /nfs/dbraw/zinc/55/21/69/534552169.db2.gz XKHPVKYZSFQTLU-CHWSQXEVSA-N 2 2 266.389 0.615 20 0 CCADLP Cc1c[nH+]c(CN2C[C@@H](C)[N@H+](CCO)C[C@H]2C)n1C ZINC000418121691 534552171 /nfs/dbraw/zinc/55/21/71/534552171.db2.gz XKHPVKYZSFQTLU-CHWSQXEVSA-N 2 2 266.389 0.615 20 0 CCADLP COC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(C)o1 ZINC000184636895 522732088 /nfs/dbraw/zinc/73/20/88/522732088.db2.gz DMVDCYSAGUZOTM-ZDUSSCGKSA-N 2 2 295.383 0.639 20 0 CCADLP 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CC(C)c1nc(NCC2([NH+](C)C)CC2)nc(N(C)C)[nH+]1 ZINC000419005279 528286373 /nfs/dbraw/zinc/28/63/73/528286373.db2.gz GCMFYAGHYNHVAI-UHFFFAOYSA-N 2 2 278.404 0.989 20 0 CCADLP c1n[nH]cc1C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000669717989 545219933 /nfs/dbraw/zinc/21/99/33/545219933.db2.gz XVILKUWAMHMWKM-ZDUSSCGKSA-N 2 2 264.373 0.954 20 0 CCADLP c1n[nH]cc1C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000669717989 545219934 /nfs/dbraw/zinc/21/99/34/545219934.db2.gz XVILKUWAMHMWKM-ZDUSSCGKSA-N 2 2 264.373 0.954 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000449113998 528552924 /nfs/dbraw/zinc/55/29/24/528552924.db2.gz BOMWBVSINSTAHP-NWDGAFQWSA-N 2 2 257.378 0.211 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000449113998 528552929 /nfs/dbraw/zinc/55/29/29/528552929.db2.gz BOMWBVSINSTAHP-NWDGAFQWSA-N 2 2 257.378 0.211 20 0 CCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670985712 545240976 /nfs/dbraw/zinc/24/09/76/545240976.db2.gz HXGRHEBSYDLLLN-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670985712 545240977 /nfs/dbraw/zinc/24/09/77/545240977.db2.gz HXGRHEBSYDLLLN-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CCOCC[N@@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000492865614 528729233 /nfs/dbraw/zinc/72/92/33/528729233.db2.gz PAIJTJRNIQHSEW-IHVVCDCBSA-N 2 2 292.383 0.992 20 0 CCADLP CCOCC[N@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000492865614 528729236 /nfs/dbraw/zinc/72/92/36/528729236.db2.gz PAIJTJRNIQHSEW-IHVVCDCBSA-N 2 2 292.383 0.992 20 0 CCADLP CCCC[C@@H](C[NH3+])NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000418468876 528802180 /nfs/dbraw/zinc/80/21/80/528802180.db2.gz PSPZQXLDQROLIE-ZDUSSCGKSA-N 2 2 286.420 0.478 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)COC(F)F)C2)CC1 ZINC000671721157 545258867 /nfs/dbraw/zinc/25/88/67/545258867.db2.gz CLLWZOPTUKEPCM-SNVBAGLBSA-N 2 2 291.342 0.510 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)COC(F)F)C2)CC1 ZINC000671721157 545258868 /nfs/dbraw/zinc/25/88/68/545258868.db2.gz CLLWZOPTUKEPCM-SNVBAGLBSA-N 2 2 291.342 0.510 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]Cc2nnnn2C2CC2)[C@@H]2CCC[C@@H]21 ZINC000671752821 545259213 /nfs/dbraw/zinc/25/92/13/545259213.db2.gz YDEXWAAITRRRRG-AVGNSLFASA-N 2 2 276.388 0.970 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]Cc2nnnn2C2CC2)[C@@H]2CCC[C@@H]21 ZINC000671752821 545259214 /nfs/dbraw/zinc/25/92/14/545259214.db2.gz YDEXWAAITRRRRG-AVGNSLFASA-N 2 2 276.388 0.970 20 0 CCADLP CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449658801 528835823 /nfs/dbraw/zinc/83/58/23/528835823.db2.gz UMTPQUXSEXAPSP-NXEZZACHSA-N 2 2 263.332 0.865 20 0 CCADLP C[N@H+](CC(=O)N[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CCSC1 ZINC000672153174 545263525 /nfs/dbraw/zinc/26/35/25/545263525.db2.gz SXPULEUOIPMXQX-WCQYABFASA-N 2 2 294.424 0.751 20 0 CCADLP C[N@@H+](CC(=O)N[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CCSC1 ZINC000672153174 545263526 /nfs/dbraw/zinc/26/35/26/545263526.db2.gz SXPULEUOIPMXQX-WCQYABFASA-N 2 2 294.424 0.751 20 0 CCADLP CCCC[C@H](C[NH3+])NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000418468875 528934583 /nfs/dbraw/zinc/93/45/83/528934583.db2.gz PSPZQXLDQROLIE-CYBMUJFWSA-N 2 2 286.420 0.478 20 0 CCADLP CCCC[C@H]([NH3+])C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449658804 528970020 /nfs/dbraw/zinc/97/00/20/528970020.db2.gz UMTPQUXSEXAPSP-ZJUUUORDSA-N 2 2 263.332 0.865 20 0 CCADLP CCOC(=O)N1CC[C@H]([NH2+][C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000495463042 529022605 /nfs/dbraw/zinc/02/26/05/529022605.db2.gz DPEZWWRSTSFQSE-WOPDTQHZSA-N 2 2 255.362 0.757 20 0 CCADLP CCOC(=O)N1CC[C@H]([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000495463042 529022615 /nfs/dbraw/zinc/02/26/15/529022615.db2.gz DPEZWWRSTSFQSE-WOPDTQHZSA-N 2 2 255.362 0.757 20 0 CCADLP CC[N@@H+]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC000673036108 545278310 /nfs/dbraw/zinc/27/83/10/545278310.db2.gz TUMOVBHSYFPLQX-LLVKDONJSA-N 2 2 250.346 0.895 20 0 CCADLP CC[N@H+]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC000673036108 545278311 /nfs/dbraw/zinc/27/83/11/545278311.db2.gz TUMOVBHSYFPLQX-LLVKDONJSA-N 2 2 250.346 0.895 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449649813 529248802 /nfs/dbraw/zinc/24/88/02/529248802.db2.gz XTLWAWHNWPUTBM-AEJSXWLSSA-N 2 2 263.332 0.721 20 0 CCADLP CC[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@@H+]1CCOC ZINC000492856951 529347316 /nfs/dbraw/zinc/34/73/16/529347316.db2.gz CVOIZFOAULDQHL-ZRUQZJFASA-N 2 2 292.383 0.992 20 0 CCADLP CC[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@H+]1CCOC ZINC000492856951 529347319 /nfs/dbraw/zinc/34/73/19/529347319.db2.gz CVOIZFOAULDQHL-ZRUQZJFASA-N 2 2 292.383 0.992 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)NCC[NH+]1CCN(C(C)=O)CC1 ZINC000261833737 534933337 /nfs/dbraw/zinc/93/33/37/534933337.db2.gz OLACJZWXUMIGFU-UHFFFAOYSA-N 2 2 298.431 0.032 20 0 CCADLP C[NH+]1CCN(C[C@@H]2C[N@@H+]([C@@H]3CCCOC3)CCO2)CC1 ZINC000674301987 545303693 /nfs/dbraw/zinc/30/36/93/545303693.db2.gz XSHIFMOVYQBYTL-HUUCEWRRSA-N 2 2 283.416 0.114 20 0 CCADLP C[NH+]1CCN(C[C@@H]2C[N@H+]([C@@H]3CCCOC3)CCO2)CC1 ZINC000674301987 545303694 /nfs/dbraw/zinc/30/36/94/545303694.db2.gz XSHIFMOVYQBYTL-HUUCEWRRSA-N 2 2 283.416 0.114 20 0 CCADLP Cn1cc[nH+]c1CN1CC[NH+]([C@@H]2CCCOC2)CC1 ZINC000674303288 545304078 /nfs/dbraw/zinc/30/40/78/545304078.db2.gz VQRLJNDOHKRSHW-CYBMUJFWSA-N 2 2 264.373 0.717 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000356816901 535020061 /nfs/dbraw/zinc/02/00/61/535020061.db2.gz RRVVQWOTKVZQEY-QWHCGFSZSA-N 2 2 271.405 0.552 20 0 CCADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000356816901 535020068 /nfs/dbraw/zinc/02/00/68/535020068.db2.gz RRVVQWOTKVZQEY-QWHCGFSZSA-N 2 2 271.405 0.552 20 0 CCADLP CC(C)(C(=O)N1CCN(c2[nH]cc[nH+]2)CC1)c1c[nH+]c[nH]1 ZINC000515071759 535025098 /nfs/dbraw/zinc/02/50/98/535025098.db2.gz WJZZIYRMLFYOMO-UHFFFAOYSA-N 2 2 288.355 0.759 20 0 CCADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000360819189 535060782 /nfs/dbraw/zinc/06/07/82/535060782.db2.gz RUYVTWLSDROSFS-ZJUUUORDSA-N 2 2 263.332 0.815 20 0 CCADLP CC(C)[C@@H](C(=O)N(C)Cc1[nH+]ccn1C)[NH+](C)C ZINC000269101521 535131000 /nfs/dbraw/zinc/13/10/00/535131000.db2.gz PFCCHDJENYYVDG-LBPRGKRZSA-N 2 2 252.362 0.965 20 0 CCADLP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccn[nH]2)CC1 ZINC000344626141 535164464 /nfs/dbraw/zinc/16/44/64/535164464.db2.gz BSEITMVHYHODQD-UHFFFAOYSA-N 2 2 252.362 0.735 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000347713078 535189186 /nfs/dbraw/zinc/18/91/86/535189186.db2.gz DBTVBVHMAXFJJR-AWEZNQCLSA-N 2 2 283.416 0.507 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000675037250 545320322 /nfs/dbraw/zinc/32/03/22/545320322.db2.gz NZSPLPJQNUTILS-UHFFFAOYSA-N 2 2 285.432 0.897 20 0 CCADLP Cc1noc(CCC[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC000675647533 545329950 /nfs/dbraw/zinc/32/99/50/545329950.db2.gz ROSBDEHNBDMZOO-CQSZACIVSA-N 2 2 294.399 0.965 20 0 CCADLP Cc1noc(CCC[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC000675647533 545329951 /nfs/dbraw/zinc/32/99/51/545329951.db2.gz ROSBDEHNBDMZOO-CQSZACIVSA-N 2 2 294.399 0.965 20 0 CCADLP C[C@@H](C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[NH+](C)C ZINC000675663960 545330258 /nfs/dbraw/zinc/33/02/58/545330258.db2.gz WQTGQRLNRFEGMV-MJBXVCDLSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCN(C)S(C)(=O)=O ZINC000675746504 545331122 /nfs/dbraw/zinc/33/11/22/545331122.db2.gz JNNAQYLAAGXCEB-AAEUAGOBSA-N 2 2 289.445 0.340 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCN(C)S(C)(=O)=O ZINC000675746504 545331123 /nfs/dbraw/zinc/33/11/23/545331123.db2.gz JNNAQYLAAGXCEB-AAEUAGOBSA-N 2 2 289.445 0.340 20 0 CCADLP c1nnn(-c2ccccc2)c1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000675895793 545332533 /nfs/dbraw/zinc/33/25/33/545332533.db2.gz TVTFZVBEHHHCJS-CHWSQXEVSA-N 2 2 269.352 0.919 20 0 CCADLP C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000676246454 545338523 /nfs/dbraw/zinc/33/85/23/545338523.db2.gz VUCLIALNIXGONF-OBJOEFQTSA-N 2 2 296.415 0.241 20 0 CCADLP C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000676246454 545338524 /nfs/dbraw/zinc/33/85/24/545338524.db2.gz VUCLIALNIXGONF-OBJOEFQTSA-N 2 2 296.415 0.241 20 0 CCADLP C[C@H](NC(=O)N[C@H]1CC[NH+](C2CC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000676246454 545338525 /nfs/dbraw/zinc/33/85/25/545338525.db2.gz VUCLIALNIXGONF-OBJOEFQTSA-N 2 2 296.415 0.241 20 0 CCADLP C[C@H](NC(=O)N[C@H]1CC[NH+](C2CC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676246454 545338526 /nfs/dbraw/zinc/33/85/26/545338526.db2.gz VUCLIALNIXGONF-OBJOEFQTSA-N 2 2 296.415 0.241 20 0 CCADLP CC[C@H](C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000676401386 545343327 /nfs/dbraw/zinc/34/33/27/545343327.db2.gz ZWGWQYJQRZTUJE-QJPTWQEYSA-N 2 2 257.378 0.162 20 0 CCADLP CC[C@H](C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000676401386 545343328 /nfs/dbraw/zinc/34/33/28/545343328.db2.gz ZWGWQYJQRZTUJE-QJPTWQEYSA-N 2 2 257.378 0.162 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262906295 535589262 /nfs/dbraw/zinc/58/92/62/535589262.db2.gz FFNGYTCTRZHTOL-QWRGUYRKSA-N 2 2 275.343 0.926 20 0 CCADLP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262906295 535589266 /nfs/dbraw/zinc/58/92/66/535589266.db2.gz FFNGYTCTRZHTOL-QWRGUYRKSA-N 2 2 275.343 0.926 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263169143 535600936 /nfs/dbraw/zinc/60/09/36/535600936.db2.gz FNAUDAVGZPWAPR-LLVKDONJSA-N 2 2 291.342 0.164 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000517245267 535636732 /nfs/dbraw/zinc/63/67/32/535636732.db2.gz VDAHFXGISAGIRZ-LLVKDONJSA-N 2 2 250.346 0.752 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000517245267 535636738 /nfs/dbraw/zinc/63/67/38/535636738.db2.gz VDAHFXGISAGIRZ-LLVKDONJSA-N 2 2 250.346 0.752 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000357085096 535639605 /nfs/dbraw/zinc/63/96/05/535639605.db2.gz QIQPPLCRHHHQJU-RRFJBIMHSA-N 3 2 294.443 0.080 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000357085096 535639609 /nfs/dbraw/zinc/63/96/09/535639609.db2.gz QIQPPLCRHHHQJU-RRFJBIMHSA-N 3 2 294.443 0.080 20 0 CCADLP CC(C)[NH2+][C@@H]1CCCN(C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000676702754 545349656 /nfs/dbraw/zinc/34/96/56/545349656.db2.gz VTYDWWVIOJDGFD-HUUCEWRRSA-N 2 2 285.432 0.142 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000678082189 545384115 /nfs/dbraw/zinc/38/41/15/545384115.db2.gz JWMJHLJIJYEDEX-HIFRSBDPSA-N 2 2 295.427 0.827 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000678082189 545384116 /nfs/dbraw/zinc/38/41/16/545384116.db2.gz JWMJHLJIJYEDEX-HIFRSBDPSA-N 2 2 295.427 0.827 20 0 CCADLP COCCO[C@@H]1C[C@H](CO)C[N@H+](CC(C)(C)[NH3+])C1 ZINC000261778065 536571446 /nfs/dbraw/zinc/57/14/46/536571446.db2.gz FFEJIYLXOQGBNY-NWDGAFQWSA-N 2 2 260.378 0.070 20 0 CCADLP COCCO[C@@H]1C[C@H](CO)C[N@@H+](CC(C)(C)[NH3+])C1 ZINC000261778065 536571449 /nfs/dbraw/zinc/57/14/49/536571449.db2.gz FFEJIYLXOQGBNY-NWDGAFQWSA-N 2 2 260.378 0.070 20 0 CCADLP COC[C@@H]([NH3+])C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000263272680 536658031 /nfs/dbraw/zinc/65/80/31/536658031.db2.gz XIKMQCBRSZPSOH-OAHLLOKOSA-N 2 2 291.395 0.347 20 0 CCADLP COC[C@@H]([NH3+])C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000262333743 536668259 /nfs/dbraw/zinc/66/82/59/536668259.db2.gz RXCJWNQVDVHIDA-GHMZBOCLSA-N 2 2 294.399 0.585 20 0 CCADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000261717187 536669392 /nfs/dbraw/zinc/66/93/92/536669392.db2.gz JWSWMGSNAIDTDQ-YPMHNXCESA-N 2 2 275.352 0.910 20 0 CCADLP COC(=O)c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000261717187 536669398 /nfs/dbraw/zinc/66/93/98/536669398.db2.gz JWSWMGSNAIDTDQ-YPMHNXCESA-N 2 2 275.352 0.910 20 0 CCADLP CN(C)c1cc[nH+]c(NC(=O)[C@H]2C[N@H+](C)CCO2)c1 ZINC000680259027 545424314 /nfs/dbraw/zinc/42/43/14/545424314.db2.gz UHRHKKAWIXGKHT-LLVKDONJSA-N 2 2 264.329 0.417 20 0 CCADLP CN(C)c1cc[nH+]c(NC(=O)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000680259027 545424315 /nfs/dbraw/zinc/42/43/15/545424315.db2.gz UHRHKKAWIXGKHT-LLVKDONJSA-N 2 2 264.329 0.417 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC(F)C3)C2)CC1 ZINC000680281536 545424917 /nfs/dbraw/zinc/42/49/17/545424917.db2.gz SPUGOGVOADYXCR-LBPRGKRZSA-N 2 2 284.379 0.518 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC(F)C3)C2)CC1 ZINC000680281536 545424918 /nfs/dbraw/zinc/42/49/18/545424918.db2.gz SPUGOGVOADYXCR-LBPRGKRZSA-N 2 2 284.379 0.518 20 0 CCADLP Cc1nc(N2CC[NH+](C[C@@H](C)CO)CC2)cc[nH+]1 ZINC000680582379 545432673 /nfs/dbraw/zinc/43/26/73/545432673.db2.gz BNXQQKOOWLDJFD-LLVKDONJSA-N 2 2 250.346 0.535 20 0 CCADLP COCC[NH2+]C1CC[NH+]([C@H](C)C(=O)N(C)C)CC1 ZINC000515306099 536893600 /nfs/dbraw/zinc/89/36/00/536893600.db2.gz URZJJHJPZTXCRP-LLVKDONJSA-N 2 2 257.378 0.164 20 0 CCADLP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000681552029 545456085 /nfs/dbraw/zinc/45/60/85/545456085.db2.gz QTNGEOWNMVZXJD-VXGBXAGGSA-N 2 2 262.357 0.513 20 0 CCADLP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000681552029 545456086 /nfs/dbraw/zinc/45/60/86/545456086.db2.gz QTNGEOWNMVZXJD-VXGBXAGGSA-N 2 2 262.357 0.513 20 0 CCADLP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000681582427 545456972 /nfs/dbraw/zinc/45/69/72/545456972.db2.gz RTGHRRWENNFGLA-OLZOCXBDSA-N 2 2 276.384 0.904 20 0 CCADLP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000681582427 545456973 /nfs/dbraw/zinc/45/69/73/545456973.db2.gz RTGHRRWENNFGLA-OLZOCXBDSA-N 2 2 276.384 0.904 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000682035875 545471164 /nfs/dbraw/zinc/47/11/64/545471164.db2.gz UQHLJOFVNPRIDJ-AWEZNQCLSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000682035875 545471165 /nfs/dbraw/zinc/47/11/65/545471165.db2.gz UQHLJOFVNPRIDJ-AWEZNQCLSA-N 2 2 285.432 0.096 20 0 CCADLP CN(CCC[NH+](C)C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682526424 545482218 /nfs/dbraw/zinc/48/22/18/545482218.db2.gz VRZGNHICBWFIDC-GFCCVEGCSA-N 2 2 264.373 0.856 20 0 CCADLP CO[C@H]1CCC[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1 ZINC000684371907 545658577 /nfs/dbraw/zinc/65/85/77/545658577.db2.gz KPZAPOCTDLMQIW-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC000961826087 649883646 /nfs/dbraw/zinc/88/36/46/649883646.db2.gz NQLWNJWBUNUVKD-SSKLVLDBSA-N 2 2 292.358 0.540 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21 ZINC000961826087 649883645 /nfs/dbraw/zinc/88/36/45/649883645.db2.gz NQLWNJWBUNUVKD-SSKLVLDBSA-N 2 2 292.358 0.540 20 0 CCADLP COCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1[nH]cc[nH+]1 ZINC001017512106 649892575 /nfs/dbraw/zinc/89/25/75/649892575.db2.gz REIAUMFDCIMDQT-BETUJISGSA-N 2 2 292.383 0.664 20 0 CCADLP COCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1[nH]cc[nH+]1 ZINC001017512106 649892578 /nfs/dbraw/zinc/89/25/78/649892578.db2.gz REIAUMFDCIMDQT-BETUJISGSA-N 2 2 292.383 0.664 20 0 CCADLP C[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1n1cc[nH+]c1 ZINC000788485555 581113427 /nfs/dbraw/zinc/11/34/27/581113427.db2.gz MTKXSIQRFCBTRJ-GRYCIOLGSA-N 2 2 276.340 0.571 20 0 CCADLP C[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C[C@H]1n1cc[nH+]c1 ZINC000788485555 581113429 /nfs/dbraw/zinc/11/34/29/581113429.db2.gz MTKXSIQRFCBTRJ-GRYCIOLGSA-N 2 2 276.340 0.571 20 0 CCADLP C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cccc2[nH+]ccn21 ZINC000779546294 581189729 /nfs/dbraw/zinc/18/97/29/581189729.db2.gz ZZFBOUMEDJZRRF-OAHLLOKOSA-N 2 2 290.367 0.767 20 0 CCADLP Cc1nonc1C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000779603989 581194076 /nfs/dbraw/zinc/19/40/76/581194076.db2.gz PODYABYGKAVURC-UHFFFAOYSA-N 2 2 296.371 0.037 20 0 CCADLP CCCCC[N@@H+](CC(N)=O)C[C@@H](O)C[NH+]1CCCC1 ZINC000780340016 581225316 /nfs/dbraw/zinc/22/53/16/581225316.db2.gz OYOKGGRBOMHYTB-ZDUSSCGKSA-N 2 2 271.405 0.421 20 0 CCADLP CCCCC[N@H+](CC(N)=O)C[C@@H](O)C[NH+]1CCCC1 ZINC000780340016 581225317 /nfs/dbraw/zinc/22/53/17/581225317.db2.gz OYOKGGRBOMHYTB-ZDUSSCGKSA-N 2 2 271.405 0.421 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000726255396 581233615 /nfs/dbraw/zinc/23/36/15/581233615.db2.gz AQAMMIGGQYCOPC-CQSZACIVSA-N 2 2 298.431 0.443 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)NCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000726255396 581233616 /nfs/dbraw/zinc/23/36/16/581233616.db2.gz AQAMMIGGQYCOPC-CQSZACIVSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)NCC[NH+]2CC=CCC2)CCO1 ZINC000792955822 581278023 /nfs/dbraw/zinc/27/80/23/581278023.db2.gz JDXSXLAWGRFBDI-CQSZACIVSA-N 2 2 296.415 0.268 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC[NH+]2CC=CCC2)CCO1 ZINC000792955822 581278026 /nfs/dbraw/zinc/27/80/26/581278026.db2.gz JDXSXLAWGRFBDI-CQSZACIVSA-N 2 2 296.415 0.268 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)NCC[N@H+]2CC=CCC2)CCO1 ZINC000792955822 581278029 /nfs/dbraw/zinc/27/80/29/581278029.db2.gz JDXSXLAWGRFBDI-CQSZACIVSA-N 2 2 296.415 0.268 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)NCC[N@@H+]2CC=CCC2)CCO1 ZINC000792955822 581278031 /nfs/dbraw/zinc/27/80/31/581278031.db2.gz JDXSXLAWGRFBDI-CQSZACIVSA-N 2 2 296.415 0.268 20 0 CCADLP COC[C@H]1CC[N@H+](CN2C[C@@H](c3c[nH+]cn3C)CC2=O)C1 ZINC000783995818 581370644 /nfs/dbraw/zinc/37/06/44/581370644.db2.gz SWCARNVFZLTINU-STQMWFEESA-N 2 2 292.383 0.662 20 0 CCADLP COC[C@H]1CC[N@@H+](CN2C[C@@H](c3c[nH+]cn3C)CC2=O)C1 ZINC000783995818 581370646 /nfs/dbraw/zinc/37/06/46/581370646.db2.gz SWCARNVFZLTINU-STQMWFEESA-N 2 2 292.383 0.662 20 0 CCADLP COC[C@@](C)(CO)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000796317334 581436669 /nfs/dbraw/zinc/43/66/69/581436669.db2.gz RLDADWZSKLJDKA-GFCCVEGCSA-N 2 2 273.402 0.692 20 0 CCADLP OC[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C[C@H]1O ZINC000787997970 581484591 /nfs/dbraw/zinc/48/45/91/581484591.db2.gz VHBZXXWRXOOYPR-ZIAGYGMSSA-N 2 2 288.351 0.442 20 0 CCADLP OC[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C[C@H]1O ZINC000787997970 581484592 /nfs/dbraw/zinc/48/45/92/581484592.db2.gz VHBZXXWRXOOYPR-ZIAGYGMSSA-N 2 2 288.351 0.442 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2CC[NH+](C3CC3)C2)CCO1 ZINC000734272297 581552838 /nfs/dbraw/zinc/55/28/38/581552838.db2.gz QJSPFUYMGQZXMZ-OLZOCXBDSA-N 2 2 296.415 0.243 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC000734272297 581552840 /nfs/dbraw/zinc/55/28/40/581552840.db2.gz QJSPFUYMGQZXMZ-OLZOCXBDSA-N 2 2 296.415 0.243 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000734272297 581552842 /nfs/dbraw/zinc/55/28/42/581552842.db2.gz QJSPFUYMGQZXMZ-OLZOCXBDSA-N 2 2 296.415 0.243 20 0 CCADLP O=C1CCCN1C1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000729545053 581602503 /nfs/dbraw/zinc/60/25/03/581602503.db2.gz QXJFALCRQHNHBC-HNNXBMFYSA-N 2 2 295.427 0.530 20 0 CCADLP COC(=O)N1CCC[C@H]([NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000756112575 581656890 /nfs/dbraw/zinc/65/68/90/581656890.db2.gz DBMFNYPEAGEBNP-SDDRHHMPSA-N 2 2 255.362 0.757 20 0 CCADLP COC(=O)N1CCC[C@H]([NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000756112575 581656891 /nfs/dbraw/zinc/65/68/91/581656891.db2.gz DBMFNYPEAGEBNP-SDDRHHMPSA-N 2 2 255.362 0.757 20 0 CCADLP COC(=O)N1CCC[C@H]([NH2+][C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000756112579 581657047 /nfs/dbraw/zinc/65/70/47/581657047.db2.gz DBMFNYPEAGEBNP-WOPDTQHZSA-N 2 2 255.362 0.757 20 0 CCADLP COC(=O)N1CCC[C@H]([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000756112579 581657050 /nfs/dbraw/zinc/65/70/50/581657050.db2.gz DBMFNYPEAGEBNP-WOPDTQHZSA-N 2 2 255.362 0.757 20 0 CCADLP OCC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccco1 ZINC000769219223 581677731 /nfs/dbraw/zinc/67/77/31/581677731.db2.gz ALLYOYZONISSIB-CHWSQXEVSA-N 2 2 268.357 0.749 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)N(C)CCC[NH+](C)C)CCO1 ZINC000758441386 581746770 /nfs/dbraw/zinc/74/67/70/581746770.db2.gz JQVDCERVOUIFIQ-CYBMUJFWSA-N 2 2 286.420 0.300 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)N(C)CCC[NH+](C)C)CCO1 ZINC000758441386 581746772 /nfs/dbraw/zinc/74/67/72/581746772.db2.gz JQVDCERVOUIFIQ-CYBMUJFWSA-N 2 2 286.420 0.300 20 0 CCADLP COC(=O)/C(C)=C\C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000748817695 581988845 /nfs/dbraw/zinc/98/88/45/581988845.db2.gz QLHBBAIJOCDTBN-HWIKDYBBSA-N 2 2 295.427 0.818 20 0 CCADLP COC(=O)/C(C)=C\C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000748817695 581988847 /nfs/dbraw/zinc/98/88/47/581988847.db2.gz QLHBBAIJOCDTBN-HWIKDYBBSA-N 2 2 295.427 0.818 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000775371358 582021299 /nfs/dbraw/zinc/02/12/99/582021299.db2.gz MUPMLIURFYGMIM-NSHDSACASA-N 2 2 294.380 0.790 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000751775963 582092829 /nfs/dbraw/zinc/09/28/29/582092829.db2.gz KNJLSGXDNAMLQS-ZDUSSCGKSA-N 2 2 279.388 0.441 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC1CC(C[NH2+]Cc2ccon2)C1 ZINC000962887179 649906800 /nfs/dbraw/zinc/90/68/00/649906800.db2.gz AQTCJWYIGGZDSE-UHFFFAOYSA-N 2 2 289.339 0.556 20 0 CCADLP C[C@@H]([NH3+])C[N@H+](C)C[C@H](O)COc1ccc(F)cc1 ZINC000923412009 617175169 /nfs/dbraw/zinc/17/51/69/617175169.db2.gz VPEJQHGLLRRMGG-PWSUYJOCSA-N 2 2 256.321 0.844 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+](C)C[C@H](O)COc1ccc(F)cc1 ZINC000923412009 617175170 /nfs/dbraw/zinc/17/51/70/617175170.db2.gz VPEJQHGLLRRMGG-PWSUYJOCSA-N 2 2 256.321 0.844 20 0 CCADLP CC(C)(C[NH2+][C@@H]1CC[NH2+]C12CCC2)CS(C)(=O)=O ZINC000925830929 614114718 /nfs/dbraw/zinc/11/47/18/614114718.db2.gz HCHGUUHGFZBJCC-LLVKDONJSA-N 2 2 274.430 0.931 20 0 CCADLP CC(C)[C@H](CNC(=[NH2+])NCC(F)F)[NH+]1CCN(C)CC1 ZINC000887347063 614208350 /nfs/dbraw/zinc/20/83/50/614208350.db2.gz DQAISZMQFIDZPH-NSHDSACASA-N 2 2 291.390 0.637 20 0 CCADLP CCCC[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000906527821 614429346 /nfs/dbraw/zinc/42/93/46/614429346.db2.gz NULBTJIHFYEZRZ-CYBMUJFWSA-N 2 2 269.389 0.309 20 0 CCADLP C/C=C/[C@@H](O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000900693490 613184571 /nfs/dbraw/zinc/18/45/71/613184571.db2.gz UKSNJMMTVYMAEG-VBROQKIQSA-N 2 2 283.416 0.408 20 0 CCADLP C/C=C/[C@@H](O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000900693490 613184573 /nfs/dbraw/zinc/18/45/73/613184573.db2.gz UKSNJMMTVYMAEG-VBROQKIQSA-N 2 2 283.416 0.408 20 0 CCADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000876746629 613191777 /nfs/dbraw/zinc/19/17/77/613191777.db2.gz MGJBGQDLNUALDC-FGCBAJGYSA-N 2 2 281.400 0.235 20 0 CCADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000876746629 613191779 /nfs/dbraw/zinc/19/17/79/613191779.db2.gz MGJBGQDLNUALDC-FGCBAJGYSA-N 2 2 281.400 0.235 20 0 CCADLP COc1cccnc1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000926090653 617323404 /nfs/dbraw/zinc/32/34/04/617323404.db2.gz QTYBFRUJZFWZRI-UHFFFAOYSA-N 2 2 293.371 0.635 20 0 CCADLP C([C@H]1CCC[NH2+]1)[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000903456280 613228180 /nfs/dbraw/zinc/22/81/80/613228180.db2.gz FLDXRBXTYHFBMX-CYBMUJFWSA-N 2 2 254.374 0.867 20 0 CCADLP C([C@H]1CCC[NH2+]1)[N@H+]1CCOCC2(CCOCC2)C1 ZINC000903456280 613228182 /nfs/dbraw/zinc/22/81/82/613228182.db2.gz FLDXRBXTYHFBMX-CYBMUJFWSA-N 2 2 254.374 0.867 20 0 CCADLP C/C(=C/C(=O)N1CCC([NH+](C)C)CC1)C[NH+]1CCOCC1 ZINC000900634641 613229026 /nfs/dbraw/zinc/22/90/26/613229026.db2.gz KGHKCIBOFZYTPL-OWBHPGMISA-N 2 2 295.427 0.818 20 0 CCADLP C/C(=C/C(=O)NC[C@@H]1CC[N@H+]1C)C[NH+]1CCOCC1 ZINC000928550941 613237364 /nfs/dbraw/zinc/23/73/64/613237364.db2.gz JOACXHLATKRLAP-SUIFULHWSA-N 2 2 267.373 0.085 20 0 CCADLP C/C(=C/C(=O)NC[C@@H]1CC[N@@H+]1C)C[NH+]1CCOCC1 ZINC000928550941 613237365 /nfs/dbraw/zinc/23/73/65/613237365.db2.gz JOACXHLATKRLAP-SUIFULHWSA-N 2 2 267.373 0.085 20 0 CCADLP C/C(=C\C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C)C[NH+]1CCOCC1 ZINC000901287481 613254396 /nfs/dbraw/zinc/25/43/96/613254396.db2.gz QCWIHXGGLRYJDY-WMHHWXMBSA-N 2 2 295.427 0.816 20 0 CCADLP C/C(=C\C(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C)C[NH+]1CCOCC1 ZINC000901287481 613254398 /nfs/dbraw/zinc/25/43/98/613254398.db2.gz QCWIHXGGLRYJDY-WMHHWXMBSA-N 2 2 295.427 0.816 20 0 CCADLP CC(C)NC(=O)CC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931510715 613909566 /nfs/dbraw/zinc/90/95/66/613909566.db2.gz GYVLDSMWOCKNDV-UHFFFAOYSA-N 2 2 262.357 0.937 20 0 CCADLP CC(C)NC(=O)CC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931510715 613909568 /nfs/dbraw/zinc/90/95/68/613909568.db2.gz GYVLDSMWOCKNDV-UHFFFAOYSA-N 2 2 262.357 0.937 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NC12CC[NH+](CC1)C2 ZINC000913635734 613930832 /nfs/dbraw/zinc/93/08/32/613930832.db2.gz NHBYMENYTCYWTF-LLVKDONJSA-N 2 2 251.374 0.824 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NC12CC[NH+](CC1)C2 ZINC000913635734 613930834 /nfs/dbraw/zinc/93/08/34/613930834.db2.gz NHBYMENYTCYWTF-LLVKDONJSA-N 2 2 251.374 0.824 20 0 CCADLP CC(C)[NH2+]C1CC[NH+](C[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000929960558 613944043 /nfs/dbraw/zinc/94/40/43/613944043.db2.gz HCWIYBBTAZHIJW-GJZGRUSLSA-N 2 2 286.416 0.351 20 0 CCADLP CC(C)[NH2+]CC1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000962360542 613946006 /nfs/dbraw/zinc/94/60/06/613946006.db2.gz SPLSHZUCZFZFKO-UHFFFAOYSA-N 2 2 250.346 0.845 20 0 CCADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[NH2+]CCO1 ZINC000043708259 614021679 /nfs/dbraw/zinc/02/16/79/614021679.db2.gz FHTAPXWQLCSRGO-VXGBXAGGSA-N 2 2 280.372 0.402 20 0 CCADLP CC(C)OCC[C@H](O)C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000923380232 614024766 /nfs/dbraw/zinc/02/47/66/614024766.db2.gz OLMHEAAQFXQMQI-UONOGXRCSA-N 2 2 256.390 0.990 20 0 CCADLP CC(C)OCC[C@H](O)C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000923380232 614024769 /nfs/dbraw/zinc/02/47/69/614024769.db2.gz OLMHEAAQFXQMQI-UONOGXRCSA-N 2 2 256.390 0.990 20 0 CCADLP CC(C)OC[C@H](C)[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000800239741 614033139 /nfs/dbraw/zinc/03/31/39/614033139.db2.gz UNPCHUDYADKQOE-JKSUJKDBSA-N 2 2 299.459 0.796 20 0 CCADLP CC(C)[C@@H](C(=O)N1CC[NH+](CCCO)CC1)[NH+]1CCCC1 ZINC000957782542 614073604 /nfs/dbraw/zinc/07/36/04/614073604.db2.gz HTGRAIYJEQHKIN-HNNXBMFYSA-N 2 2 297.443 0.633 20 0 CCADLP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC000819151827 614103768 /nfs/dbraw/zinc/10/37/68/614103768.db2.gz FNIIIFOLEATJAV-LBPRGKRZSA-N 2 2 262.419 0.599 20 0 CCADLP CC(C)C[N@H+]1CC[C@@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC000819151827 614103769 /nfs/dbraw/zinc/10/37/69/614103769.db2.gz FNIIIFOLEATJAV-LBPRGKRZSA-N 2 2 262.419 0.599 20 0 CCADLP CC(C)([NH3+])C[NH2+]Cc1ccc(N2CC[NH2+]CC2)o1 ZINC000904350642 614163072 /nfs/dbraw/zinc/16/30/72/614163072.db2.gz OAIDNTPUSARDCK-UHFFFAOYSA-N 3 2 252.362 0.516 20 0 CCADLP CC(C)C[C@H]1C[N@H+](C)CCN1Cc1noc(C[NH3+])n1 ZINC000923555658 614227456 /nfs/dbraw/zinc/22/74/56/614227456.db2.gz CMHBDKKXHQIKEF-NSHDSACASA-N 2 2 267.377 0.690 20 0 CCADLP CC(C)C[C@H]1C[N@@H+](C)CCN1Cc1noc(C[NH3+])n1 ZINC000923555658 614227458 /nfs/dbraw/zinc/22/74/58/614227458.db2.gz CMHBDKKXHQIKEF-NSHDSACASA-N 2 2 267.377 0.690 20 0 CCADLP CC(C)[NH+]1CCC(C(=O)N[C@H](CO)c2c[nH+]cn2C)CC1 ZINC000898887264 614324392 /nfs/dbraw/zinc/32/43/92/614324392.db2.gz KEOWTJGVAIGEQO-CYBMUJFWSA-N 2 2 294.399 0.690 20 0 CCADLP CC(C)c1[nH+]ccn1CCNC(=O)c1cnc(C[NH3+])nc1 ZINC000876731749 614328750 /nfs/dbraw/zinc/32/87/50/614328750.db2.gz UNLFTQUTXPYKLG-UHFFFAOYSA-N 2 2 288.355 0.685 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCO)C[C@H]1C ZINC000822160469 614339438 /nfs/dbraw/zinc/33/94/38/614339438.db2.gz SNKUVLJJSMZUEU-ZIAGYGMSSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCO)C[C@H]1C ZINC000822160469 614339439 /nfs/dbraw/zinc/33/94/39/614339439.db2.gz SNKUVLJJSMZUEU-ZIAGYGMSSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000822160469 614339441 /nfs/dbraw/zinc/33/94/41/614339441.db2.gz SNKUVLJJSMZUEU-ZIAGYGMSSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000822160469 614339443 /nfs/dbraw/zinc/33/94/43/614339443.db2.gz SNKUVLJJSMZUEU-ZIAGYGMSSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)C(=O)N1CCC([NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925530918 614351610 /nfs/dbraw/zinc/35/16/10/614351610.db2.gz HVCMJHCXXKAQLU-CYBMUJFWSA-N 2 2 269.389 0.211 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000930223020 614352930 /nfs/dbraw/zinc/35/29/30/614352930.db2.gz SYGYSOVLVRBCMV-LBPRGKRZSA-N 2 2 250.346 0.872 20 0 CCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000930223020 614352931 /nfs/dbraw/zinc/35/29/31/614352931.db2.gz SYGYSOVLVRBCMV-LBPRGKRZSA-N 2 2 250.346 0.872 20 0 CCADLP CCC[C@](C)([NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1)C(=O)OC ZINC000923377000 614448953 /nfs/dbraw/zinc/44/89/53/614448953.db2.gz QGCDBKKKGUBWGC-AAEUAGOBSA-N 2 2 270.373 0.686 20 0 CCADLP CCCN(C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000849428649 614512454 /nfs/dbraw/zinc/51/24/54/614512454.db2.gz CMHDNVDVIRXJPQ-UHFFFAOYSA-N 2 2 258.410 0.921 20 0 CCADLP CCCN(C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000849428649 614512461 /nfs/dbraw/zinc/51/24/61/614512461.db2.gz CMHDNVDVIRXJPQ-UHFFFAOYSA-N 2 2 258.410 0.921 20 0 CCADLP CC1(C)CC[C@H](CNC(=O)/C=C\C[NH+]2CCOCC2)[NH2+]C1 ZINC000877151724 614571662 /nfs/dbraw/zinc/57/16/62/614571662.db2.gz QGCACXIKKVBZDD-VQTKUKTRSA-N 2 2 295.427 0.769 20 0 CCADLP CCC[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CC[NH2+]C1 ZINC000923283860 614584710 /nfs/dbraw/zinc/58/47/10/614584710.db2.gz DODGYHWWBLVVHO-OLZOCXBDSA-N 3 2 253.390 0.439 20 0 CCADLP CCC[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CC[NH2+]C1 ZINC000923283860 614584712 /nfs/dbraw/zinc/58/47/12/614584712.db2.gz DODGYHWWBLVVHO-OLZOCXBDSA-N 3 2 253.390 0.439 20 0 CCADLP CCN(C(=O)N[C@@H](C)C[NH+]1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000891349825 614603399 /nfs/dbraw/zinc/60/33/99/614603399.db2.gz KFOPOMNDFRVHBX-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1C[NH+](CCO)C1 ZINC000957279584 614623736 /nfs/dbraw/zinc/62/37/36/614623736.db2.gz YHYVYMXRKNGGLZ-ZIAGYGMSSA-N 2 2 297.443 0.632 20 0 CCADLP CC1(C)C[N@H+](CCO)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941062008 614657327 /nfs/dbraw/zinc/65/73/27/614657327.db2.gz UJFWCLHITSSHHY-LBPRGKRZSA-N 2 2 280.372 0.161 20 0 CCADLP CC1(C)C[N@@H+](CCO)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941062008 614657329 /nfs/dbraw/zinc/65/73/29/614657329.db2.gz UJFWCLHITSSHHY-LBPRGKRZSA-N 2 2 280.372 0.161 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000912615949 614664986 /nfs/dbraw/zinc/66/49/86/614664986.db2.gz WXGTVDGILRZACH-VXGBXAGGSA-N 2 2 280.372 0.444 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000912615949 614664988 /nfs/dbraw/zinc/66/49/88/614664988.db2.gz WXGTVDGILRZACH-VXGBXAGGSA-N 2 2 280.372 0.444 20 0 CCADLP CC1(C)C[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@@H]1[NH3+] ZINC000903786085 614672939 /nfs/dbraw/zinc/67/29/39/614672939.db2.gz DDOBTQGBGXQNDF-OBJOEFQTSA-N 3 2 253.390 0.424 20 0 CCADLP CC1(C)C[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@@H]1[NH3+] ZINC000903786085 614672940 /nfs/dbraw/zinc/67/29/40/614672940.db2.gz DDOBTQGBGXQNDF-OBJOEFQTSA-N 3 2 253.390 0.424 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905256143 614683398 /nfs/dbraw/zinc/68/33/98/614683398.db2.gz MHNSRJQESWDYFB-STQMWFEESA-N 2 2 256.390 0.726 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905256143 614683400 /nfs/dbraw/zinc/68/34/00/614683400.db2.gz MHNSRJQESWDYFB-STQMWFEESA-N 2 2 256.390 0.726 20 0 CCADLP CC1(C)CN(c2nccn3c[nH+]cc23)CC[N@@H+]1CCO ZINC000893368466 614684433 /nfs/dbraw/zinc/68/44/33/614684433.db2.gz KDVVYVZGXLKZOM-UHFFFAOYSA-N 2 2 275.356 0.622 20 0 CCADLP CC1(C)CN(c2nccn3c[nH+]cc23)CC[N@H+]1CCO ZINC000893368466 614684437 /nfs/dbraw/zinc/68/44/37/614684437.db2.gz KDVVYVZGXLKZOM-UHFFFAOYSA-N 2 2 275.356 0.622 20 0 CCADLP CC1(C)CNC(=O)[C@@H]1[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000925172248 614691616 /nfs/dbraw/zinc/69/16/16/614691616.db2.gz RWIURAAFBGSGHL-MNOVXSKESA-N 2 2 262.357 0.875 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876753269 614719120 /nfs/dbraw/zinc/71/91/20/614719120.db2.gz JMDSLWIISNIINA-NWDGAFQWSA-N 2 2 287.379 0.161 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876753269 614719121 /nfs/dbraw/zinc/71/91/21/614719121.db2.gz JMDSLWIISNIINA-NWDGAFQWSA-N 2 2 287.379 0.161 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000876966147 614844097 /nfs/dbraw/zinc/84/40/97/614844097.db2.gz NWYSRCJCTJYXGI-JHJVBQTASA-N 2 2 281.400 0.293 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000876708127 614860418 /nfs/dbraw/zinc/86/04/18/614860418.db2.gz XJAMRNBXPVYROX-WDEREUQCSA-N 2 2 250.346 0.763 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000884361649 614861500 /nfs/dbraw/zinc/86/15/00/614861500.db2.gz WTKJUBFYEONGBH-MGPQQGTHSA-N 2 2 295.427 0.872 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000884361649 614861503 /nfs/dbraw/zinc/86/15/03/614861503.db2.gz WTKJUBFYEONGBH-MGPQQGTHSA-N 2 2 295.427 0.872 20 0 CCADLP CCCC(=O)NC1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000915679999 614886873 /nfs/dbraw/zinc/88/68/73/614886873.db2.gz WXHNZRCSGKASGS-OAHLLOKOSA-N 2 2 297.443 0.824 20 0 CCADLP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](C)[C@H](CO)C1 ZINC000913548768 614905105 /nfs/dbraw/zinc/90/51/05/614905105.db2.gz SORXNWJZTGTQRS-AWEZNQCLSA-N 2 2 285.432 0.633 20 0 CCADLP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](C)[C@H](CO)C1 ZINC000913548768 614905108 /nfs/dbraw/zinc/90/51/08/614905108.db2.gz SORXNWJZTGTQRS-AWEZNQCLSA-N 2 2 285.432 0.633 20 0 CCADLP CCCCCC[NH+](C)CC(=O)N1CC[N@H+](C)[C@H](CO)C1 ZINC000913548768 614905109 /nfs/dbraw/zinc/90/51/09/614905109.db2.gz SORXNWJZTGTQRS-AWEZNQCLSA-N 2 2 285.432 0.633 20 0 CCADLP CCCCCC[NH+](C)CC(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913548768 614905112 /nfs/dbraw/zinc/90/51/12/614905112.db2.gz SORXNWJZTGTQRS-AWEZNQCLSA-N 2 2 285.432 0.633 20 0 CCADLP CCCC[NH+]1CC(N(CC)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000949830329 614964243 /nfs/dbraw/zinc/96/42/43/614964243.db2.gz JYAGGZFUWIERKS-AWEZNQCLSA-N 2 2 283.416 0.650 20 0 CCADLP CCCC[NH+]1CC(N(CC)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000949830329 614964245 /nfs/dbraw/zinc/96/42/45/614964245.db2.gz JYAGGZFUWIERKS-AWEZNQCLSA-N 2 2 283.416 0.650 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC)C1 ZINC000969465656 615002232 /nfs/dbraw/zinc/00/22/32/615002232.db2.gz QHBWXNZZGLGSGZ-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC)C1 ZINC000969465656 615002233 /nfs/dbraw/zinc/00/22/33/615002233.db2.gz QHBWXNZZGLGSGZ-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP CCN(CCC[NH+](C)C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000867698619 615042433 /nfs/dbraw/zinc/04/24/33/615042433.db2.gz CHVCOJUXVYTJMA-LLVKDONJSA-N 2 2 254.334 0.243 20 0 CCADLP CCC[C@H](O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932578308 615045617 /nfs/dbraw/zinc/04/56/17/615045617.db2.gz WAOOMIHXTYVZPX-CABCVRRESA-N 2 2 297.443 0.774 20 0 CCADLP CCC[C@H](O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932578308 615045618 /nfs/dbraw/zinc/04/56/18/615045618.db2.gz WAOOMIHXTYVZPX-CABCVRRESA-N 2 2 297.443 0.774 20 0 CCADLP CC[N@H+](CCNC(=O)/C=C(\C)C[NH+]1CCOCC1)C1CC1 ZINC000900552595 615047658 /nfs/dbraw/zinc/04/76/58/615047658.db2.gz INYDFPPRPBEJFC-WYMLVPIESA-N 2 2 295.427 0.865 20 0 CCADLP CC[N@@H+](CCNC(=O)/C=C(\C)C[NH+]1CCOCC1)C1CC1 ZINC000900552595 615047659 /nfs/dbraw/zinc/04/76/59/615047659.db2.gz INYDFPPRPBEJFC-WYMLVPIESA-N 2 2 295.427 0.865 20 0 CCADLP CC[NH2+]CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000844191833 615078248 /nfs/dbraw/zinc/07/82/48/615078248.db2.gz KLOYUMFLDXVYBC-UHFFFAOYSA-N 3 2 296.459 0.662 20 0 CCADLP CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000969994842 615090225 /nfs/dbraw/zinc/09/02/25/615090225.db2.gz AOJPXXVJDMUTNN-NEPJUHHUSA-N 2 2 276.384 0.902 20 0 CCADLP CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000969997747 615094221 /nfs/dbraw/zinc/09/42/21/615094221.db2.gz OWGMXJXYVUBUFG-NWDGAFQWSA-N 2 2 276.384 0.902 20 0 CCADLP CC[NH2+]C[C@@H]1C[C@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000980709648 615096217 /nfs/dbraw/zinc/09/62/17/615096217.db2.gz YWQQXUFAMVDSAF-QWRGUYRKSA-N 2 2 250.346 0.799 20 0 CCADLP CC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC000910284641 615119098 /nfs/dbraw/zinc/11/90/98/615119098.db2.gz TVAUCGYDQDWJDW-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC000910284641 615119099 /nfs/dbraw/zinc/11/90/99/615119099.db2.gz TVAUCGYDQDWJDW-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC000910284641 615119100 /nfs/dbraw/zinc/11/91/00/615119100.db2.gz TVAUCGYDQDWJDW-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC000910284641 615119101 /nfs/dbraw/zinc/11/91/01/615119101.db2.gz TVAUCGYDQDWJDW-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CC[N@@H+]1CCC[C@H](NC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000865184176 615137910 /nfs/dbraw/zinc/13/79/10/615137910.db2.gz OOHWIVRJLWHJJV-YVZNUBBCSA-N 2 2 281.400 0.475 20 0 CCADLP CC[N@H+]1CCC[C@H](NC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000865184176 615137911 /nfs/dbraw/zinc/13/79/11/615137911.db2.gz OOHWIVRJLWHJJV-YVZNUBBCSA-N 2 2 281.400 0.475 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)S(C)(=O)=O ZINC000848991279 615144761 /nfs/dbraw/zinc/14/47/61/615144761.db2.gz UERATOPYLOOKGB-QWRGUYRKSA-N 2 2 290.433 0.018 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)S(C)(=O)=O ZINC000848991279 615144762 /nfs/dbraw/zinc/14/47/62/615144762.db2.gz UERATOPYLOOKGB-QWRGUYRKSA-N 2 2 290.433 0.018 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H](O)CC(C)(C)C2)CC1 ZINC000879617473 615152335 /nfs/dbraw/zinc/15/23/35/615152335.db2.gz PFNJNAHYZTYDBH-UONOGXRCSA-N 2 2 297.443 0.632 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@H](O)CC(C)(C)C2)CC1 ZINC000879617473 615152337 /nfs/dbraw/zinc/15/23/37/615152337.db2.gz PFNJNAHYZTYDBH-UONOGXRCSA-N 2 2 297.443 0.632 20 0 CCADLP CC[NH+]1CCN([C@@H](C)CNc2cc(N(C)C)[nH+]cn2)CC1 ZINC000891829180 615162011 /nfs/dbraw/zinc/16/20/11/615162011.db2.gz HEWLPIIYQICAHZ-ZDUSSCGKSA-N 2 2 292.431 0.981 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000882960877 615259995 /nfs/dbraw/zinc/25/99/95/615259995.db2.gz YFPMZARKWCKMEQ-WDEREUQCSA-N 2 2 265.361 0.775 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000882960877 615259997 /nfs/dbraw/zinc/25/99/97/615259997.db2.gz YFPMZARKWCKMEQ-WDEREUQCSA-N 2 2 265.361 0.775 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)N(C)[C@@H]2CC[NH+]3CCO[C@H]2C3)C1 ZINC000413851202 615282506 /nfs/dbraw/zinc/28/25/06/615282506.db2.gz DOXOVMMEJYKAFQ-MJBXVCDLSA-N 2 2 296.415 0.195 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)N(C)[C@@H]2CC[NH+]3CCO[C@H]2C3)C1 ZINC000413851202 615282508 /nfs/dbraw/zinc/28/25/08/615282508.db2.gz DOXOVMMEJYKAFQ-MJBXVCDLSA-N 2 2 296.415 0.195 20 0 CCADLP CC[NH+]1CC[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+]3CCO[C@H]2C3)C1 ZINC000413851202 615282510 /nfs/dbraw/zinc/28/25/10/615282510.db2.gz DOXOVMMEJYKAFQ-MJBXVCDLSA-N 2 2 296.415 0.195 20 0 CCADLP CCO[C@@H](CNc1cc(NC[C@H](C)O)[nH+]cn1)C[NH+](C)C ZINC000896118921 615410906 /nfs/dbraw/zinc/41/09/06/615410906.db2.gz XZGUZBPKOUTNHC-RYUDHWBXSA-N 2 2 297.403 0.648 20 0 CCADLP CCO[C@@H](CNc1cc(NC[C@H](C)O)nc[nH+]1)C[NH+](C)C ZINC000896118921 615410907 /nfs/dbraw/zinc/41/09/07/615410907.db2.gz XZGUZBPKOUTNHC-RYUDHWBXSA-N 2 2 297.403 0.648 20 0 CCADLP CC[N@@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000977449308 615414328 /nfs/dbraw/zinc/41/43/28/615414328.db2.gz BPVMRABHKXTGOW-LBPRGKRZSA-N 2 2 264.373 0.809 20 0 CCADLP CC[N@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000977449308 615414331 /nfs/dbraw/zinc/41/43/31/615414331.db2.gz BPVMRABHKXTGOW-LBPRGKRZSA-N 2 2 264.373 0.809 20 0 CCADLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872203693 615474238 /nfs/dbraw/zinc/47/42/38/615474238.db2.gz AVXCBVIMGRTZAS-STQMWFEESA-N 2 2 258.406 0.972 20 0 CCADLP CCO[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)C[NH+](C)C ZINC000925842084 615484303 /nfs/dbraw/zinc/48/43/03/615484303.db2.gz VYOVBYHMCHWBOO-BFHYXJOUSA-N 3 2 257.422 0.931 20 0 CCADLP CC[C@@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCN1CC(F)F ZINC000923370710 615565273 /nfs/dbraw/zinc/56/52/73/615565273.db2.gz JJHUVTOZKKLFLG-USZNOCQGSA-N 2 2 277.359 0.498 20 0 CCADLP CC[C@@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CCN1CC(F)F ZINC000923370710 615565274 /nfs/dbraw/zinc/56/52/74/615565274.db2.gz JJHUVTOZKKLFLG-USZNOCQGSA-N 2 2 277.359 0.498 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC1CC[NH+](C)CC1 ZINC000874998243 615567312 /nfs/dbraw/zinc/56/73/12/615567312.db2.gz ALDGMRCJQFLCFR-CQSZACIVSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC1CC[NH+](C)CC1 ZINC000874998243 615567313 /nfs/dbraw/zinc/56/73/13/615567313.db2.gz ALDGMRCJQFLCFR-CQSZACIVSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1CC[NH+]1CC ZINC000890055622 615567341 /nfs/dbraw/zinc/56/73/41/615567341.db2.gz CAFMAEIREUVMQH-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1CC[NH+]1CC ZINC000890055622 615567342 /nfs/dbraw/zinc/56/73/42/615567342.db2.gz CAFMAEIREUVMQH-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CC[N@@H+]1CC ZINC000890055622 615567343 /nfs/dbraw/zinc/56/73/43/615567343.db2.gz CAFMAEIREUVMQH-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CC[N@H+]1CC ZINC000890055622 615567344 /nfs/dbraw/zinc/56/73/44/615567344.db2.gz CAFMAEIREUVMQH-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000866666712 615600096 /nfs/dbraw/zinc/60/00/96/615600096.db2.gz VKEBCSFFPYZPLU-HUUCEWRRSA-N 2 2 293.411 0.988 20 0 CCADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000866666712 615600097 /nfs/dbraw/zinc/60/00/97/615600097.db2.gz VKEBCSFFPYZPLU-HUUCEWRRSA-N 2 2 293.411 0.988 20 0 CCADLP CCc1cc(C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)[nH]n1 ZINC000817893779 615650996 /nfs/dbraw/zinc/65/09/96/615650996.db2.gz VPISPPREUJTTOS-MFKMUULPSA-N 2 2 252.362 0.829 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000925357881 615718125 /nfs/dbraw/zinc/71/81/25/615718125.db2.gz YGQUFOGTMCETJG-MJBXVCDLSA-N 2 2 298.431 0.489 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000925357881 615718128 /nfs/dbraw/zinc/71/81/28/615718128.db2.gz YGQUFOGTMCETJG-MJBXVCDLSA-N 2 2 298.431 0.489 20 0 CCADLP C[NH+](C)C1(C)CC[NH+](C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000931353699 615846080 /nfs/dbraw/zinc/84/60/80/615846080.db2.gz GPESKKCASUVCKQ-HIFRSBDPSA-N 2 2 286.416 0.305 20 0 CCADLP C[NH+](C)CC(C)(C)[NH2+]CCCNC(=O)C(F)(F)F ZINC000839093783 615868745 /nfs/dbraw/zinc/86/87/45/615868745.db2.gz HSKKQJWQPCOCIW-UHFFFAOYSA-N 2 2 269.311 0.985 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884401409 615879397 /nfs/dbraw/zinc/87/93/97/615879397.db2.gz OYVKSOMCRPOTBA-ZDUSSCGKSA-N 3 2 284.448 0.232 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884401409 615879399 /nfs/dbraw/zinc/87/93/99/615879399.db2.gz OYVKSOMCRPOTBA-ZDUSSCGKSA-N 3 2 284.448 0.232 20 0 CCADLP CN(C)c1ccnc(NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000853799031 615880014 /nfs/dbraw/zinc/88/00/14/615880014.db2.gz NDCZIXDCODILPH-UHFFFAOYSA-N 2 2 280.420 0.838 20 0 CCADLP CN(C)c1ccnc(NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000853799031 615880018 /nfs/dbraw/zinc/88/00/18/615880018.db2.gz NDCZIXDCODILPH-UHFFFAOYSA-N 2 2 280.420 0.838 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(N)cc1 ZINC000852846919 615880084 /nfs/dbraw/zinc/88/00/84/615880084.db2.gz LYGDKDYFVFWRLR-UHFFFAOYSA-N 2 2 278.400 0.882 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(N)cc1 ZINC000852846919 615880086 /nfs/dbraw/zinc/88/00/86/615880086.db2.gz LYGDKDYFVFWRLR-UHFFFAOYSA-N 2 2 278.400 0.882 20 0 CCADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865177303 615895966 /nfs/dbraw/zinc/89/59/66/615895966.db2.gz DORYGLINVCFCPA-WCQYABFASA-N 2 2 296.371 0.012 20 0 CCADLP C[NH+](C)CCNC(=S)N1CCn2c[nH+]cc2C1 ZINC000811712231 615903589 /nfs/dbraw/zinc/90/35/89/615903589.db2.gz MIIXIKVYSRJPOR-UHFFFAOYSA-N 2 2 253.375 0.135 20 0 CCADLP C[NH+](C)CC[C@@H](N)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000846673728 615911167 /nfs/dbraw/zinc/91/11/67/615911167.db2.gz WBJOQCRURFIPQK-CHWSQXEVSA-N 2 2 295.431 0.693 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C12CC[NH+](CC1)C2 ZINC000913808586 615923390 /nfs/dbraw/zinc/92/33/90/615923390.db2.gz FNGOAEYRAAATDW-ZDUSSCGKSA-N 2 2 281.400 0.309 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C12CC[NH+](CC1)C2 ZINC000913808586 615923391 /nfs/dbraw/zinc/92/33/91/615923391.db2.gz FNGOAEYRAAATDW-ZDUSSCGKSA-N 2 2 281.400 0.309 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877433740 615927457 /nfs/dbraw/zinc/92/74/57/615927457.db2.gz IBGHFOWNVRQUSU-LZWOXQAQSA-N 2 2 295.427 0.746 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877433740 615927459 /nfs/dbraw/zinc/92/74/59/615927459.db2.gz IBGHFOWNVRQUSU-LZWOXQAQSA-N 2 2 295.427 0.746 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC000874703483 615927475 /nfs/dbraw/zinc/92/74/75/615927475.db2.gz VJMNGRVODJATAU-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC000874703483 615927477 /nfs/dbraw/zinc/92/74/77/615927477.db2.gz VJMNGRVODJATAU-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP CC[C@H]1COCC[NH+]1CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000874703483 615927478 /nfs/dbraw/zinc/92/74/78/615927478.db2.gz VJMNGRVODJATAU-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP CC[C@H]1COCC[NH+]1CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000874703483 615927480 /nfs/dbraw/zinc/92/74/80/615927480.db2.gz VJMNGRVODJATAU-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000843062778 615944800 /nfs/dbraw/zinc/94/48/00/615944800.db2.gz QHMNSGUTULBITA-CHWSQXEVSA-N 2 2 272.776 0.886 20 0 CCADLP C[NH+](C)[C@@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1(C)C ZINC000864063345 615986270 /nfs/dbraw/zinc/98/62/70/615986270.db2.gz JPSYBNWYGDOPOG-WDEREUQCSA-N 2 2 250.346 0.797 20 0 CCADLP CCn1cc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c(C)n1 ZINC000892670329 615998718 /nfs/dbraw/zinc/99/87/18/615998718.db2.gz RFVLVUHTWNCTBD-AWEZNQCLSA-N 2 2 266.389 0.758 20 0 CCADLP C[NH+](C)[C@]1(C[NH2+]C[C@@H](O)CC(C)(C)O)CCSC1 ZINC000872202244 615999331 /nfs/dbraw/zinc/99/93/31/615999331.db2.gz DRCXSTDCPISKJF-AAEUAGOBSA-N 2 2 276.446 0.535 20 0 CCADLP CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+][C@H]2CC[NH2+]C2(C)C)O1 ZINC000925628591 616000902 /nfs/dbraw/zinc/00/09/02/616000902.db2.gz DVPRTCLODAESHE-SRVKXCTJSA-N 2 2 269.389 0.352 20 0 CCADLP C[N@H+](CCF)[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000971818184 616081611 /nfs/dbraw/zinc/08/16/11/616081611.db2.gz MWLWXBAVIYEXKS-JSGCOSHPSA-N 2 2 294.374 0.948 20 0 CCADLP C[N@@H+](CCF)[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000971818184 616081612 /nfs/dbraw/zinc/08/16/12/616081612.db2.gz MWLWXBAVIYEXKS-JSGCOSHPSA-N 2 2 294.374 0.948 20 0 CCADLP CN(CC[NH3+])C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000892616909 616084617 /nfs/dbraw/zinc/08/46/17/616084617.db2.gz XVVMKLIBRXSOOE-ZDUSSCGKSA-N 2 2 262.357 0.773 20 0 CCADLP CN(CC[NH3+])C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000892616909 616084619 /nfs/dbraw/zinc/08/46/19/616084619.db2.gz XVVMKLIBRXSOOE-ZDUSSCGKSA-N 2 2 262.357 0.773 20 0 CCADLP C[NH+](CCc1ccccc1)CC(=O)NC[C@@H]1CC[N@H+]1C ZINC000928550135 616125224 /nfs/dbraw/zinc/12/52/24/616125224.db2.gz CGYOISHIWJHHRB-HNNXBMFYSA-N 2 2 275.396 0.981 20 0 CCADLP C[N@H+](CCn1cccn1)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903891469 616128230 /nfs/dbraw/zinc/12/82/30/616128230.db2.gz AQRQNLYDWHZNLT-CYBMUJFWSA-N 2 2 289.387 0.531 20 0 CCADLP C[N@@H+](CCn1cccn1)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903891469 616128231 /nfs/dbraw/zinc/12/82/31/616128231.db2.gz AQRQNLYDWHZNLT-CYBMUJFWSA-N 2 2 289.387 0.531 20 0 CCADLP C[N@H+](C[C@@H]1CCS(=O)(=O)C1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904340338 616145251 /nfs/dbraw/zinc/14/52/51/616145251.db2.gz HKQJYYYEOQOXNP-STQMWFEESA-N 2 2 274.430 0.743 20 0 CCADLP C[N@@H+](C[C@@H]1CCS(=O)(=O)C1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904340338 616145252 /nfs/dbraw/zinc/14/52/52/616145252.db2.gz HKQJYYYEOQOXNP-STQMWFEESA-N 2 2 274.430 0.743 20 0 CCADLP CN1C(=O)N[C@@H]2C[N@@H+](CCC[NH2+]C3CC3)CC[C@@H]21 ZINC000923376810 616146016 /nfs/dbraw/zinc/14/60/16/616146016.db2.gz PELOWEAXMUGKAB-NEPJUHHUSA-N 2 2 252.362 0.226 20 0 CCADLP CN1C(=O)N[C@@H]2C[N@H+](CCC[NH2+]C3CC3)CC[C@@H]21 ZINC000923376810 616146018 /nfs/dbraw/zinc/14/60/18/616146018.db2.gz PELOWEAXMUGKAB-NEPJUHHUSA-N 2 2 252.362 0.226 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1C[C@H](O)CC2(CCOCC2)C1)C1CC1 ZINC000880584761 616149542 /nfs/dbraw/zinc/14/95/42/616149542.db2.gz MGRJGBNNSCFGSW-CABCVRRESA-N 2 2 298.427 0.305 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1C[C@H](O)CC2(CCOCC2)C1)C1CC1 ZINC000880584761 616149543 /nfs/dbraw/zinc/14/95/43/616149543.db2.gz MGRJGBNNSCFGSW-CABCVRRESA-N 2 2 298.427 0.305 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1C[C@H](O)CC2(CCOCC2)C1)C1CC1 ZINC000880584761 616149544 /nfs/dbraw/zinc/14/95/44/616149544.db2.gz MGRJGBNNSCFGSW-CABCVRRESA-N 2 2 298.427 0.305 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1C[C@H](O)CC2(CCOCC2)C1)C1CC1 ZINC000880584761 616149546 /nfs/dbraw/zinc/14/95/46/616149546.db2.gz MGRJGBNNSCFGSW-CABCVRRESA-N 2 2 298.427 0.305 20 0 CCADLP C[NH+]1CCC(C[N@H+](CCO)C2CC[NH+](C)CC2)CC1 ZINC000891401920 616169193 /nfs/dbraw/zinc/16/91/93/616169193.db2.gz LVJZHLZNWWAVSV-UHFFFAOYSA-N 3 2 269.433 0.717 20 0 CCADLP C[NH+]1CCC(C[N@@H+](CCO)C2CC[NH+](C)CC2)CC1 ZINC000891401920 616169195 /nfs/dbraw/zinc/16/91/95/616169195.db2.gz LVJZHLZNWWAVSV-UHFFFAOYSA-N 3 2 269.433 0.717 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3C[C@@H]4C[C@@H]4C3)C2)CC1 ZINC000888287401 616172530 /nfs/dbraw/zinc/17/25/30/616172530.db2.gz ZVAIKSFHGIULIG-HZSPNIEDSA-N 2 2 292.427 0.816 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3C[C@@H]4C[C@@H]4C3)C2)CC1 ZINC000888287401 616172531 /nfs/dbraw/zinc/17/25/31/616172531.db2.gz ZVAIKSFHGIULIG-HZSPNIEDSA-N 2 2 292.427 0.816 20 0 CCADLP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1ccoc1 ZINC000877989425 616172917 /nfs/dbraw/zinc/17/29/17/616172917.db2.gz ZPRIBKGMNOLTAW-UHFFFAOYSA-N 2 2 265.357 0.922 20 0 CCADLP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1ccoc1 ZINC000877989425 616172918 /nfs/dbraw/zinc/17/29/18/616172918.db2.gz ZPRIBKGMNOLTAW-UHFFFAOYSA-N 2 2 265.357 0.922 20 0 CCADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)C1 ZINC000821623818 616188375 /nfs/dbraw/zinc/18/83/75/616188375.db2.gz TZRSQUMYLNLKJX-JTQLQIEISA-N 2 2 276.344 0.891 20 0 CCADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)C1 ZINC000821623818 616188376 /nfs/dbraw/zinc/18/83/76/616188376.db2.gz TZRSQUMYLNLKJX-JTQLQIEISA-N 2 2 276.344 0.891 20 0 CCADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000452621995 616191119 /nfs/dbraw/zinc/19/11/19/616191119.db2.gz LUGDCBVADCVAMH-UPJWGTAASA-N 2 2 267.373 0.012 20 0 CCADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000452621995 616191120 /nfs/dbraw/zinc/19/11/20/616191120.db2.gz LUGDCBVADCVAMH-UPJWGTAASA-N 2 2 267.373 0.012 20 0 CCADLP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000452621995 616191121 /nfs/dbraw/zinc/19/11/21/616191121.db2.gz LUGDCBVADCVAMH-UPJWGTAASA-N 2 2 267.373 0.012 20 0 CCADLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000452621995 616191122 /nfs/dbraw/zinc/19/11/22/616191122.db2.gz LUGDCBVADCVAMH-UPJWGTAASA-N 2 2 267.373 0.012 20 0 CCADLP C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@@H]2CCn3c[nH+]cc32)C1 ZINC000912585557 616202408 /nfs/dbraw/zinc/20/24/08/616202408.db2.gz YDUCAWXWTLCOMU-BXUZGUMPSA-N 2 2 278.356 0.291 20 0 CCADLP C[N@H+]1CCC[C@@](O)(CC(=O)N[C@@H]2CCn3c[nH+]cc32)C1 ZINC000912585557 616202409 /nfs/dbraw/zinc/20/24/09/616202409.db2.gz YDUCAWXWTLCOMU-BXUZGUMPSA-N 2 2 278.356 0.291 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@H+](CCF)CC1(C)C ZINC000972857351 616212782 /nfs/dbraw/zinc/21/27/82/616212782.db2.gz GIPTYKHCYUOQCS-RYUDHWBXSA-N 2 2 271.380 0.877 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CCF)CC1(C)C ZINC000972857351 616212780 /nfs/dbraw/zinc/21/27/80/616212780.db2.gz GIPTYKHCYUOQCS-RYUDHWBXSA-N 2 2 271.380 0.877 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CCF)CC1(C)C ZINC000972857351 616212781 /nfs/dbraw/zinc/21/27/81/616212781.db2.gz GIPTYKHCYUOQCS-RYUDHWBXSA-N 2 2 271.380 0.877 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@@H+](CCF)CC1(C)C ZINC000972857351 616212783 /nfs/dbraw/zinc/21/27/83/616212783.db2.gz GIPTYKHCYUOQCS-RYUDHWBXSA-N 2 2 271.380 0.877 20 0 CCADLP C[N@@H+]1CC[C@@H]1CNC[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000905546161 616302489 /nfs/dbraw/zinc/30/24/89/616302489.db2.gz JDGVWAIXDSBUMB-IAGOWNOFSA-N 2 2 289.423 0.917 20 0 CCADLP C[N@H+]1CC[C@@H]1CNC[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000905546161 616302495 /nfs/dbraw/zinc/30/24/95/616302495.db2.gz JDGVWAIXDSBUMB-IAGOWNOFSA-N 2 2 289.423 0.917 20 0 CCADLP C[NH+]1CC[C@@H]1CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000905546161 616302499 /nfs/dbraw/zinc/30/24/99/616302499.db2.gz JDGVWAIXDSBUMB-IAGOWNOFSA-N 2 2 289.423 0.917 20 0 CCADLP C[NH+]1CC[C@@H]1CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000905546161 616302504 /nfs/dbraw/zinc/30/25/04/616302504.db2.gz JDGVWAIXDSBUMB-IAGOWNOFSA-N 2 2 289.423 0.917 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000894917070 616357136 /nfs/dbraw/zinc/35/71/36/616357136.db2.gz ZBMKYKFQSVXFBH-CMPLNLGQSA-N 2 2 263.345 0.266 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000894917070 616357141 /nfs/dbraw/zinc/35/71/41/616357141.db2.gz ZBMKYKFQSVXFBH-CMPLNLGQSA-N 2 2 263.345 0.266 20 0 CCADLP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ncc2c(n1)CCOC2 ZINC000926645010 616363534 /nfs/dbraw/zinc/36/35/34/616363534.db2.gz ROKHJCUMNBBVIP-HBBFGDNQSA-N 2 2 288.395 0.979 20 0 CCADLP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ncc2c(n1)CCOC2 ZINC000926645010 616363536 /nfs/dbraw/zinc/36/35/36/616363536.db2.gz ROKHJCUMNBBVIP-HBBFGDNQSA-N 2 2 288.395 0.979 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000943177786 616415396 /nfs/dbraw/zinc/41/53/96/616415396.db2.gz PWPMANZNLDTHDG-AAEUAGOBSA-N 2 2 280.372 0.425 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000943177786 616415400 /nfs/dbraw/zinc/41/54/00/616415400.db2.gz PWPMANZNLDTHDG-AAEUAGOBSA-N 2 2 280.372 0.425 20 0 CCADLP COC(=O)C1=CC[C@H]([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000863541955 616432719 /nfs/dbraw/zinc/43/27/19/616432719.db2.gz NSHLTXQUQUYLOB-MJBXVCDLSA-N 2 2 280.368 0.605 20 0 CCADLP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)N3CCOCC3)CC[C@H]21 ZINC000879571317 616444784 /nfs/dbraw/zinc/44/47/84/616444784.db2.gz PKEVSEQVGHSXQU-UONOGXRCSA-N 2 2 281.400 0.261 20 0 CCADLP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)N3CCOCC3)CC[C@H]21 ZINC000879571317 616444788 /nfs/dbraw/zinc/44/47/88/616444788.db2.gz PKEVSEQVGHSXQU-UONOGXRCSA-N 2 2 281.400 0.261 20 0 CCADLP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)N3CCOCC3)CC[C@H]21 ZINC000879571317 616444790 /nfs/dbraw/zinc/44/47/90/616444790.db2.gz PKEVSEQVGHSXQU-UONOGXRCSA-N 2 2 281.400 0.261 20 0 CCADLP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)N3CCOCC3)CC[C@H]21 ZINC000879571317 616444793 /nfs/dbraw/zinc/44/47/93/616444793.db2.gz PKEVSEQVGHSXQU-UONOGXRCSA-N 2 2 281.400 0.261 20 0 CCADLP C[N@H+]1C[C@H]2CN(C(=O)N[C@H]3CCn4cc[nH+]c4C3)C[C@H]2C1 ZINC000894310289 616510890 /nfs/dbraw/zinc/51/08/90/616510890.db2.gz UHKFOYAXRDKDLD-XQQFMLRXSA-N 2 2 289.383 0.401 20 0 CCADLP C[N@@H+]1C[C@H]2CN(C(=O)N[C@H]3CCn4cc[nH+]c4C3)C[C@H]2C1 ZINC000894310289 616510892 /nfs/dbraw/zinc/51/08/92/616510892.db2.gz UHKFOYAXRDKDLD-XQQFMLRXSA-N 2 2 289.383 0.401 20 0 CCADLP Cn1cc(CC[NH+]2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)nn1 ZINC000931319109 616514069 /nfs/dbraw/zinc/51/40/69/616514069.db2.gz WRYBEZYWUKPSOR-ZIAGYGMSSA-N 2 2 263.389 0.631 20 0 CCADLP COC(=O)[C@@H]1[C@H](C[NH2+]CC(C)(C)[NH+](C)C)C1(F)F ZINC000894146767 616514216 /nfs/dbraw/zinc/51/42/16/616514216.db2.gz WFJUAJVAWGSMHS-IUCAKERBSA-N 2 2 264.316 0.971 20 0 CCADLP COC(=O)[C@@](C)(O)C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880474273 616537569 /nfs/dbraw/zinc/53/75/69/616537569.db2.gz XBJYAFRSZURTEW-AWEZNQCLSA-N 2 2 270.373 0.471 20 0 CCADLP COCCOC[C@H](O)C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931518672 616567083 /nfs/dbraw/zinc/56/70/83/616567083.db2.gz QUJGQZZCMHKTTQ-LLVKDONJSA-N 2 2 281.356 0.046 20 0 CCADLP COCCOC[C@H](O)C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931518672 616567086 /nfs/dbraw/zinc/56/70/86/616567086.db2.gz QUJGQZZCMHKTTQ-LLVKDONJSA-N 2 2 281.356 0.046 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000923393480 616625013 /nfs/dbraw/zinc/62/50/13/616625013.db2.gz RBVZVQJALOHPDM-FGZQJIAISA-N 2 2 286.416 0.602 20 0 CCADLP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000870978675 616692785 /nfs/dbraw/zinc/69/27/85/616692785.db2.gz ABMFXAZOTNXTQF-QWHCGFSZSA-N 2 2 291.351 0.180 20 0 CCADLP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000870978675 616692787 /nfs/dbraw/zinc/69/27/87/616692787.db2.gz ABMFXAZOTNXTQF-QWHCGFSZSA-N 2 2 291.351 0.180 20 0 CCADLP COC(=O)N1CC([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000848534942 616806182 /nfs/dbraw/zinc/80/61/82/616806182.db2.gz BIYFSOUOIKHCPZ-CQSZACIVSA-N 2 2 297.399 0.670 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000923356498 616967391 /nfs/dbraw/zinc/96/73/91/616967391.db2.gz IXNVKTLSCBIVLW-HOTGVXAUSA-N 3 2 299.459 0.247 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000923356498 616967395 /nfs/dbraw/zinc/96/73/95/616967395.db2.gz IXNVKTLSCBIVLW-HOTGVXAUSA-N 3 2 299.459 0.247 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000851680103 616975974 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CON(C)C(=O)C[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134102 617022640 /nfs/dbraw/zinc/02/26/40/617022640.db2.gz CAYMDWGKHDSGHQ-LBPRGKRZSA-N 2 2 278.356 0.612 20 0 CCADLP COC[C@@]1(C(=O)OC)CCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903464920 617038255 /nfs/dbraw/zinc/03/82/55/617038255.db2.gz ZPJXQXPTWOKANR-MBNYWOFBSA-N 2 2 270.373 0.496 20 0 CCADLP COC[C@@]1(C(=O)OC)CCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903464920 617038258 /nfs/dbraw/zinc/03/82/58/617038258.db2.gz ZPJXQXPTWOKANR-MBNYWOFBSA-N 2 2 270.373 0.496 20 0 CCADLP CO[C@@H](C)C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000949742019 617153984 /nfs/dbraw/zinc/15/39/84/617153984.db2.gz SKINGZXCOZQCKI-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CO[C@@H](C)C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000949742019 617153985 /nfs/dbraw/zinc/15/39/85/617153985.db2.gz SKINGZXCOZQCKI-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CO[C@@H](C[N@@H+]1CCC[C@@H]([NH2+]CCO)C1)C1CCC1 ZINC000923408512 617165362 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CCADLP CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001026432138 625448429 /nfs/dbraw/zinc/44/84/29/625448429.db2.gz OJYYPRJRFKZERR-YNEHKIRRSA-N 2 2 262.357 0.730 20 0 CCADLP C[C@@H]1C[N@H+](CCNc2cc[nH+]cc2CO)CCO1 ZINC000892246001 622688005 /nfs/dbraw/zinc/68/80/05/622688005.db2.gz GBYPNPNEKNLUDJ-LLVKDONJSA-N 2 2 251.330 0.128 20 0 CCADLP C[C@@H]1C[N@@H+](CCNc2cc[nH+]cc2CO)CCO1 ZINC000892246001 622688010 /nfs/dbraw/zinc/68/80/10/622688010.db2.gz GBYPNPNEKNLUDJ-LLVKDONJSA-N 2 2 251.330 0.128 20 0 CCADLP Cc1cc(N)nc(NCC[N@@H+]2CCO[C@@H](C)C2)[nH+]1 ZINC000892247052 622689715 /nfs/dbraw/zinc/68/97/15/622689715.db2.gz RGXHTUHCYSBMPP-JTQLQIEISA-N 2 2 251.334 0.500 20 0 CCADLP Cc1cc(N)nc(NCC[N@H+]2CCO[C@@H](C)C2)[nH+]1 ZINC000892247052 622689718 /nfs/dbraw/zinc/68/97/18/622689718.db2.gz RGXHTUHCYSBMPP-JTQLQIEISA-N 2 2 251.334 0.500 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001022736056 622710278 /nfs/dbraw/zinc/71/02/78/622710278.db2.gz KPRYKTYGBSIEKB-UJPOAAIJSA-N 2 2 292.383 0.141 20 0 CCADLP O[C@@H]1CC[N@H+](CCCC[NH+]2CC[C@H](O)[C@@H](F)C2)C[C@H]1F ZINC000934570497 622758913 /nfs/dbraw/zinc/75/89/13/622758913.db2.gz LDJSMYIQEDRKRA-KPWCQOOUSA-N 2 2 292.370 0.576 20 0 CCADLP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001023117307 622916257 /nfs/dbraw/zinc/91/62/57/622916257.db2.gz QHKYJHCCHIKBRV-MJBXVCDLSA-N 2 2 281.400 0.354 20 0 CCADLP Cc1cnc(C[NH2+][C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3)C2)o1 ZINC001023159458 622930868 /nfs/dbraw/zinc/93/08/68/622930868.db2.gz XAVJTZDFRXEJTL-TXEJJXNPSA-N 2 2 289.339 0.617 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]Cc2ncccn2)C1 ZINC001023158652 622931843 /nfs/dbraw/zinc/93/18/43/622931843.db2.gz BHRZIDYITJOXNN-TXEJJXNPSA-N 2 2 286.339 0.110 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]CC2CCOCC2)C1 ZINC001023161095 622935920 /nfs/dbraw/zinc/93/59/20/622935920.db2.gz NTXILVKNCZHCRO-OKILXGFUSA-N 2 2 292.383 0.547 20 0 CCADLP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000926648857 623359246 /nfs/dbraw/zinc/35/92/46/623359246.db2.gz ZAHGPEDYCJFBCE-XQHKEYJVSA-N 2 2 251.374 0.857 20 0 CCADLP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000926648857 623359251 /nfs/dbraw/zinc/35/92/51/623359251.db2.gz ZAHGPEDYCJFBCE-XQHKEYJVSA-N 2 2 251.374 0.857 20 0 CCADLP COCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1[nH]c[nH+]c1C ZINC001018214908 623648661 /nfs/dbraw/zinc/64/86/61/623648661.db2.gz YJYYQWHTERGGQW-BETUJISGSA-N 2 2 292.383 0.582 20 0 CCADLP COCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1[nH]c[nH+]c1C ZINC001018214908 623648663 /nfs/dbraw/zinc/64/86/63/623648663.db2.gz YJYYQWHTERGGQW-BETUJISGSA-N 2 2 292.383 0.582 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](C/C=C/Cl)C[C@H]32)C1 ZINC001025719860 623876023 /nfs/dbraw/zinc/87/60/23/623876023.db2.gz OZLFMUPYSSXFHZ-IZZRXHNISA-N 2 2 299.802 0.116 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](C/C=C/Cl)C[C@H]32)C1 ZINC001025719860 623876026 /nfs/dbraw/zinc/87/60/26/623876026.db2.gz OZLFMUPYSSXFHZ-IZZRXHNISA-N 2 2 299.802 0.116 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C/C=C/Cl)C[C@H]32)C1 ZINC001025719860 623876028 /nfs/dbraw/zinc/87/60/28/623876028.db2.gz OZLFMUPYSSXFHZ-IZZRXHNISA-N 2 2 299.802 0.116 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](C/C=C/Cl)C[C@H]32)C1 ZINC001025719860 623876031 /nfs/dbraw/zinc/87/60/31/623876031.db2.gz OZLFMUPYSSXFHZ-IZZRXHNISA-N 2 2 299.802 0.116 20 0 CCADLP C[NH+]1CCN(CCC[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000328470012 623883587 /nfs/dbraw/zinc/88/35/87/623883587.db2.gz ZEXQJNVNLCNMTG-GVRJEKJASA-N 3 2 278.444 0.210 20 0 CCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[C@@H]([NH2+]CCF)C1 ZINC000969137788 624466266 /nfs/dbraw/zinc/46/62/66/624466266.db2.gz DXQDDOQPKLQCNY-NWDGAFQWSA-N 2 2 280.347 0.606 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC001020637516 624556762 /nfs/dbraw/zinc/55/67/62/624556762.db2.gz WOOGCNJWKNVYBC-JHJVBQTASA-N 2 2 292.383 0.616 20 0 CCADLP C[C@H]1CC[C@H](C[NH2+][C@H]2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)O1 ZINC001020637500 624556789 /nfs/dbraw/zinc/55/67/89/624556789.db2.gz VPCQKQAEPCWGSX-ZJQBRPOHSA-N 2 2 292.383 0.757 20 0 CCADLP C[C@H]1COC[C@H]1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000926022422 624641257 /nfs/dbraw/zinc/64/12/57/624641257.db2.gz OCQWVBFZUBBXMW-QWHCGFSZSA-N 2 2 286.420 0.204 20 0 CCADLP C[C@H]1COC[C@H]1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000926022422 624641258 /nfs/dbraw/zinc/64/12/58/624641258.db2.gz OCQWVBFZUBBXMW-QWHCGFSZSA-N 2 2 286.420 0.204 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC001021126825 624663286 /nfs/dbraw/zinc/66/32/86/624663286.db2.gz XXKPQGMFCZLIHM-MGPQQGTHSA-N 2 2 292.383 0.547 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC([C@@H]2COC(=O)N2)CC1 ZINC000932773207 624699880 /nfs/dbraw/zinc/69/98/80/624699880.db2.gz MUPWMRBAWCSLGX-KGLIPLIRSA-N 2 2 299.415 0.508 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC([C@@H]2COC(=O)N2)CC1 ZINC000932773207 624699885 /nfs/dbraw/zinc/69/98/85/624699885.db2.gz MUPWMRBAWCSLGX-KGLIPLIRSA-N 2 2 299.415 0.508 20 0 CCADLP O=C(C[NH+]1CCCC1)N1CC[C@@H]([NH2+]Cc2ncccn2)C1 ZINC000970719379 624738023 /nfs/dbraw/zinc/73/80/23/624738023.db2.gz CRQFGCBOVCLIHM-CYBMUJFWSA-N 2 2 289.383 0.263 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000234709681 624800931 /nfs/dbraw/zinc/80/09/31/624800931.db2.gz KOTVXYOIBSFDQG-XQQFMLRXSA-N 2 2 260.378 0.212 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000234709681 624800932 /nfs/dbraw/zinc/80/09/32/624800932.db2.gz KOTVXYOIBSFDQG-XQQFMLRXSA-N 2 2 260.378 0.212 20 0 CCADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)NCc2cccs2)C1 ZINC000050247489 624803992 /nfs/dbraw/zinc/80/39/92/624803992.db2.gz MQTJAVPIESGUEQ-JTQLQIEISA-N 2 2 253.371 0.645 20 0 CCADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)NCc2cccs2)C1 ZINC000050247489 624803994 /nfs/dbraw/zinc/80/39/94/624803994.db2.gz MQTJAVPIESGUEQ-JTQLQIEISA-N 2 2 253.371 0.645 20 0 CCADLP CN(Cc1cccs1)C(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050248130 624804130 /nfs/dbraw/zinc/80/41/30/624804130.db2.gz NBORVUDVXVQSBY-LLVKDONJSA-N 2 2 267.398 0.987 20 0 CCADLP CN(Cc1cccs1)C(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050248130 624804132 /nfs/dbraw/zinc/80/41/32/624804132.db2.gz NBORVUDVXVQSBY-LLVKDONJSA-N 2 2 267.398 0.987 20 0 CCADLP Nc1cc(N2CC[NH+](CCO)CC2)c(Cl)c[nH+]1 ZINC000891434557 624864990 /nfs/dbraw/zinc/86/49/90/624864990.db2.gz VGCOGDYZJVKZPC-UHFFFAOYSA-N 2 2 256.737 0.432 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001022231445 624896575 /nfs/dbraw/zinc/89/65/75/624896575.db2.gz WRTIZNIYUZZUPJ-PREPNJAASA-N 2 2 278.356 0.131 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001022231445 624896576 /nfs/dbraw/zinc/89/65/76/624896576.db2.gz WRTIZNIYUZZUPJ-PREPNJAASA-N 2 2 278.356 0.131 20 0 CCADLP CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001027073544 625724686 /nfs/dbraw/zinc/72/46/86/625724686.db2.gz FWXKEJVKTQZLEA-YNEHKIRRSA-N 2 2 276.384 0.982 20 0 CCADLP CC[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001027191765 625754030 /nfs/dbraw/zinc/75/40/30/625754030.db2.gz WGTUVKQSHRIGKR-NSHDSACASA-N 2 2 250.346 0.719 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1C[NH3+] ZINC000253186273 625900395 /nfs/dbraw/zinc/90/03/95/625900395.db2.gz IPBJGEHLBLNKEQ-UPJWGTAASA-N 2 2 269.389 0.198 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCO2)C[C@H]1C[NH3+] ZINC000253186273 625900411 /nfs/dbraw/zinc/90/04/11/625900411.db2.gz IPBJGEHLBLNKEQ-UPJWGTAASA-N 2 2 269.389 0.198 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000903432678 634562084 /nfs/dbraw/zinc/56/20/84/634562084.db2.gz KDFCRSLHYXMFPF-VOAKCMCISA-N 2 2 251.374 0.585 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000903432678 634562093 /nfs/dbraw/zinc/56/20/93/634562093.db2.gz KDFCRSLHYXMFPF-VOAKCMCISA-N 2 2 251.374 0.585 20 0 CCADLP C[C@H](CS(C)(=O)=O)[N@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903730292 634632769 /nfs/dbraw/zinc/63/27/69/634632769.db2.gz VGLUNACOFYOVJC-FRRDWIJNSA-N 2 2 290.429 0.120 20 0 CCADLP C[C@H](CS(C)(=O)=O)[N@@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903730292 634632771 /nfs/dbraw/zinc/63/27/71/634632771.db2.gz VGLUNACOFYOVJC-FRRDWIJNSA-N 2 2 290.429 0.120 20 0 CCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1[nH]nc2c1COCC2 ZINC000903762858 634641505 /nfs/dbraw/zinc/64/15/05/634641505.db2.gz FPNMHKZQIQOEDR-ZYHUDNBSSA-N 2 2 250.346 0.842 20 0 CCADLP FC(F)[C@@H]1C[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903780856 634651143 /nfs/dbraw/zinc/65/11/43/634651143.db2.gz MRYBKGKBCLIJQC-MDZLAQPJSA-N 2 2 276.327 0.721 20 0 CCADLP FC(F)[C@@H]1C[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903780856 634651150 /nfs/dbraw/zinc/65/11/50/634651150.db2.gz MRYBKGKBCLIJQC-MDZLAQPJSA-N 2 2 276.327 0.721 20 0 CCADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000903899980 634679306 /nfs/dbraw/zinc/67/93/06/634679306.db2.gz XMFPZXBGKUJLDS-WDEREUQCSA-N 2 2 273.331 0.973 20 0 CCADLP [NH3+][C@H](CC(F)F)C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000903899980 634679313 /nfs/dbraw/zinc/67/93/13/634679313.db2.gz XMFPZXBGKUJLDS-WDEREUQCSA-N 2 2 273.331 0.973 20 0 CCADLP Cc1c(C[C@@H](C[NH3+])C[NH2+]CCC(C)(C)[NH3+])cnn1C ZINC000903939805 634697254 /nfs/dbraw/zinc/69/72/54/634697254.db2.gz NDVVSXIJRAEETP-LBPRGKRZSA-N 3 2 267.421 0.563 20 0 CCADLP C[C@]1(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCC[NH2+]C1 ZINC000904331467 634728323 /nfs/dbraw/zinc/72/83/23/634728323.db2.gz IGOVFQZGSBHYEF-HOCLYGCPSA-N 3 2 294.443 0.272 20 0 CCADLP C[C@]1(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCC[NH2+]C1 ZINC000904331467 634728327 /nfs/dbraw/zinc/72/83/27/634728327.db2.gz IGOVFQZGSBHYEF-HOCLYGCPSA-N 3 2 294.443 0.272 20 0 CCADLP Cn1c[nH+]cc1Cc1noc(-c2cnc(C[NH3+])s2)n1 ZINC000904650179 634759729 /nfs/dbraw/zinc/75/97/29/634759729.db2.gz UYEGMSKYLMPBFN-UHFFFAOYSA-N 2 2 276.325 0.976 20 0 CCADLP C[C@H]1[C@H](NC(=O)NCCCn2cc[nH+]c2)CC[N@@H+]1C ZINC000905149969 634810318 /nfs/dbraw/zinc/81/03/18/634810318.db2.gz VICMQKNDZCSRMN-NWDGAFQWSA-N 2 2 265.361 0.665 20 0 CCADLP C[C@H]1[C@H](NC(=O)NCCCn2cc[nH+]c2)CC[N@H+]1C ZINC000905149969 634810320 /nfs/dbraw/zinc/81/03/20/634810320.db2.gz VICMQKNDZCSRMN-NWDGAFQWSA-N 2 2 265.361 0.665 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H]([C@H](C)[NH2+]C(C)C)C1 ZINC000979426599 630924852 /nfs/dbraw/zinc/92/48/52/630924852.db2.gz GLFZBBRKMFXPPM-GXTWGEPZSA-N 2 2 294.399 0.875 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCC3(C[C@@H]2F)OCCO3)C1 ZINC000893606153 631024703 /nfs/dbraw/zinc/02/47/03/631024703.db2.gz NOPYWCJABGZBMW-AVGNSLFASA-N 2 2 288.363 0.276 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCC3(C[C@@H]2F)OCCO3)C1 ZINC000893606153 631024705 /nfs/dbraw/zinc/02/47/05/631024705.db2.gz NOPYWCJABGZBMW-AVGNSLFASA-N 2 2 288.363 0.276 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000981298945 631265046 /nfs/dbraw/zinc/26/50/46/631265046.db2.gz UYNVWRWQJDNRCP-GFCCVEGCSA-N 2 2 280.372 0.257 20 0 CCADLP C[C@@H](O)C[N@H+]1CCCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000981298945 631265049 /nfs/dbraw/zinc/26/50/49/631265049.db2.gz UYNVWRWQJDNRCP-GFCCVEGCSA-N 2 2 280.372 0.257 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000981298945 631265053 /nfs/dbraw/zinc/26/50/53/631265053.db2.gz UYNVWRWQJDNRCP-GFCCVEGCSA-N 2 2 280.372 0.257 20 0 CCADLP O=C1O[C@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)CC12CC[NH2+]CC2 ZINC000925849816 631397784 /nfs/dbraw/zinc/39/77/84/631397784.db2.gz QLZXCZBZKXEMAF-STQMWFEESA-N 3 2 293.411 0.546 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925849549 631398680 /nfs/dbraw/zinc/39/86/80/631398680.db2.gz PNOXEQKDJPQVPZ-UPJWGTAASA-N 3 2 281.400 0.259 20 0 CCADLP Cc1cc(N)nc(N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)[nH+]1 ZINC000894081139 631510068 /nfs/dbraw/zinc/51/00/68/631510068.db2.gz SKHARBHJXKRNDN-PHIMTYICSA-N 2 2 265.361 0.259 20 0 CCADLP Cc1cc(N)nc(N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)[nH+]1 ZINC000894081139 631510077 /nfs/dbraw/zinc/51/00/77/631510077.db2.gz SKHARBHJXKRNDN-PHIMTYICSA-N 2 2 265.361 0.259 20 0 CCADLP Cc1nonc1[C@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000924992512 631701084 /nfs/dbraw/zinc/70/10/84/631701084.db2.gz LQLLHKUEBDWOEW-MNOVXSKESA-N 2 2 267.377 0.665 20 0 CCADLP Cc1cc(N)nc(N2CCC(N3CC[NH+](C)CC3)CC2)[nH+]1 ZINC000895028130 631897939 /nfs/dbraw/zinc/89/79/39/631897939.db2.gz WECFRUXEPLBCAE-UHFFFAOYSA-N 2 2 290.415 0.583 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)NCC[N@@H+]2CCC(C)(C)C2)c1 ZINC000895290984 632047573 /nfs/dbraw/zinc/04/75/73/632047573.db2.gz DYDFZZGABXLPFB-UHFFFAOYSA-N 2 2 293.415 0.994 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)NCC[N@H+]2CCC(C)(C)C2)c1 ZINC000895290984 632047577 /nfs/dbraw/zinc/04/75/77/632047577.db2.gz DYDFZZGABXLPFB-UHFFFAOYSA-N 2 2 293.415 0.994 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N(C)CC[NH+](C)C)c[nH+]1 ZINC000896821739 632328953 /nfs/dbraw/zinc/32/89/53/632328953.db2.gz WEFZBRVPTDYNOL-UHFFFAOYSA-N 2 2 252.362 0.947 20 0 CCADLP C[C@@H]1[C@@H]([NH2+]CC2CC2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000987262399 632849356 /nfs/dbraw/zinc/84/93/56/632849356.db2.gz UZALJSIARKBGEP-PWSUYJOCSA-N 2 2 262.357 0.941 20 0 CCADLP COc1nn(C)cc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000898025368 633270444 /nfs/dbraw/zinc/27/04/44/633270444.db2.gz JYQSHOJVGNFVPG-CQSZACIVSA-N 2 2 294.399 0.772 20 0 CCADLP CC(C)[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000989493076 633318449 /nfs/dbraw/zinc/31/84/49/633318449.db2.gz QWHRVGAVTLXBHB-CMPLNLGQSA-N 2 2 250.346 0.940 20 0 CCADLP CC(C)[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC000989679973 633344591 /nfs/dbraw/zinc/34/45/91/633344591.db2.gz OLHXVOWZESXRLP-NEPJUHHUSA-N 2 2 264.373 0.950 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@]23CCC[C@@H]2[NH+](CCF)CC3)C1 ZINC000990121630 633448764 /nfs/dbraw/zinc/44/87/64/633448764.db2.gz QZKNYJLMZZGVPN-KCQAQPDRSA-N 2 2 299.390 0.400 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@]23CCC[C@@H]2[NH+](CCF)CC3)C1 ZINC000990121630 633448767 /nfs/dbraw/zinc/44/87/67/633448767.db2.gz QZKNYJLMZZGVPN-KCQAQPDRSA-N 2 2 299.390 0.400 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@@]23CCC[C@@H]2[N@H+](CCF)CC3)C1 ZINC000990121630 633448769 /nfs/dbraw/zinc/44/87/69/633448769.db2.gz QZKNYJLMZZGVPN-KCQAQPDRSA-N 2 2 299.390 0.400 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CCF)CC3)C1 ZINC000990121630 633448775 /nfs/dbraw/zinc/44/87/75/633448775.db2.gz QZKNYJLMZZGVPN-KCQAQPDRSA-N 2 2 299.390 0.400 20 0 CCADLP CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@H]12 ZINC000990122322 633449629 /nfs/dbraw/zinc/44/96/29/633449629.db2.gz WQJGHHUGXITDDP-KCQAQPDRSA-N 2 2 281.400 0.450 20 0 CCADLP CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@H]12 ZINC000990122322 633449631 /nfs/dbraw/zinc/44/96/31/633449631.db2.gz WQJGHHUGXITDDP-KCQAQPDRSA-N 2 2 281.400 0.450 20 0 CCADLP CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@H+](C)CCO3)CCC[C@H]12 ZINC000990122322 633449633 /nfs/dbraw/zinc/44/96/33/633449633.db2.gz WQJGHHUGXITDDP-KCQAQPDRSA-N 2 2 281.400 0.450 20 0 CCADLP CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC[C@H]12 ZINC000990122322 633449634 /nfs/dbraw/zinc/44/96/34/633449634.db2.gz WQJGHHUGXITDDP-KCQAQPDRSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000899242050 633765901 /nfs/dbraw/zinc/76/59/01/633765901.db2.gz QYRCXQDGGIQTFA-YNEHKIRRSA-N 2 2 279.388 0.898 20 0 CCADLP O=C(CNc1cccc[nH+]1)NCC[NH+]1CCSCC1 ZINC000900673849 634067400 /nfs/dbraw/zinc/06/74/00/634067400.db2.gz QWZCFFVPTCOPDS-UHFFFAOYSA-N 2 2 280.397 0.659 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902375276 634375555 /nfs/dbraw/zinc/37/55/55/634375555.db2.gz UNDZLUMGRMQVAT-OCCSQVGLSA-N 3 2 255.406 0.421 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902375276 634375559 /nfs/dbraw/zinc/37/55/59/634375559.db2.gz UNDZLUMGRMQVAT-OCCSQVGLSA-N 3 2 255.406 0.421 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CC[NH+]2C(C)(C)C)[C@@H](C)C[N@@H+]1CCO ZINC000910932178 635854809 /nfs/dbraw/zinc/85/48/09/635854809.db2.gz WSPYTAIICQZQKD-HZSPNIEDSA-N 2 2 297.443 0.773 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CC[NH+]2C(C)(C)C)[C@@H](C)C[N@H+]1CCO ZINC000910932178 635854813 /nfs/dbraw/zinc/85/48/13/635854813.db2.gz WSPYTAIICQZQKD-HZSPNIEDSA-N 2 2 297.443 0.773 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)[C@@H](C)C[NH+]1CCO ZINC000910932178 635854818 /nfs/dbraw/zinc/85/48/18/635854818.db2.gz WSPYTAIICQZQKD-HZSPNIEDSA-N 2 2 297.443 0.773 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+]2C(C)(C)C)[C@@H](C)C[NH+]1CCO ZINC000910932178 635854821 /nfs/dbraw/zinc/85/48/21/635854821.db2.gz WSPYTAIICQZQKD-HZSPNIEDSA-N 2 2 297.443 0.773 20 0 CCADLP [NH3+][C@H](CC(=O)Nc1ccc(N2CC[NH2+]CC2)cn1)C(F)F ZINC000911736116 636359809 /nfs/dbraw/zinc/35/98/09/636359809.db2.gz NKMMHLKYFSPISO-SNVBAGLBSA-N 2 2 299.325 0.412 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C[NH3+])CCCC1 ZINC000911801057 636393310 /nfs/dbraw/zinc/39/33/10/636393310.db2.gz XJYITFZYZMNDLB-SNVBAGLBSA-N 2 2 250.346 0.976 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C[NH3+])CCCC1 ZINC000911801057 636393314 /nfs/dbraw/zinc/39/33/14/636393314.db2.gz XJYITFZYZMNDLB-SNVBAGLBSA-N 2 2 250.346 0.976 20 0 CCADLP C[C@@]1(NC(=O)CCc2[nH]cc[nH+]2)C[NH+]2CCC1CC2 ZINC000912377066 636565717 /nfs/dbraw/zinc/56/57/17/636565717.db2.gz MEXMPZXAFYCKNJ-CQSZACIVSA-N 2 2 262.357 0.943 20 0 CCADLP C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000912812013 636676218 /nfs/dbraw/zinc/67/62/18/636676218.db2.gz QOIVREAMHRQCGX-ILXRZTDVSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000912812013 636676224 /nfs/dbraw/zinc/67/62/24/636676224.db2.gz QOIVREAMHRQCGX-ILXRZTDVSA-N 2 2 297.443 0.896 20 0 CCADLP CCCNc1cc(N2CCC[N@H+](CCO)CC2)nc[nH+]1 ZINC000227383531 637023427 /nfs/dbraw/zinc/02/34/27/637023427.db2.gz VMMBNYKSUVCUMH-UHFFFAOYSA-N 2 2 279.388 0.803 20 0 CCADLP CCCNc1cc(N2CCC[N@@H+](CCO)CC2)nc[nH+]1 ZINC000227383531 637023432 /nfs/dbraw/zinc/02/34/32/637023432.db2.gz VMMBNYKSUVCUMH-UHFFFAOYSA-N 2 2 279.388 0.803 20 0 CCADLP CCCc1noc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)n1 ZINC000063180443 637205712 /nfs/dbraw/zinc/20/57/12/637205712.db2.gz CHVKHRFDEYETMY-LLVKDONJSA-N 2 2 295.387 0.309 20 0 CCADLP CCCc1noc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)n1 ZINC000063180443 637205725 /nfs/dbraw/zinc/20/57/25/637205725.db2.gz CHVKHRFDEYETMY-LLVKDONJSA-N 2 2 295.387 0.309 20 0 CCADLP O[C@H](C[NH2+]C[C@@H](O)c1ccsc1)C[NH+]1CCCC1 ZINC000231982203 637239262 /nfs/dbraw/zinc/23/92/62/637239262.db2.gz OYCDUKKQLYTVCY-CHWSQXEVSA-N 2 2 270.398 0.828 20 0 CCADLP C[N@@H+]1CC[C@H]1CNC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000915854478 637800924 /nfs/dbraw/zinc/80/09/24/637800924.db2.gz PAOPDNGQYQMSNI-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP C[N@H+]1CC[C@H]1CNC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000915854478 637800927 /nfs/dbraw/zinc/80/09/27/637800927.db2.gz PAOPDNGQYQMSNI-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP C[NH+]1CC[C@H]1CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000915854478 637800930 /nfs/dbraw/zinc/80/09/30/637800930.db2.gz PAOPDNGQYQMSNI-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP C[NH+]1CC[C@H]1CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000915854478 637800934 /nfs/dbraw/zinc/80/09/34/637800934.db2.gz PAOPDNGQYQMSNI-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CCF ZINC000939209008 638329482 /nfs/dbraw/zinc/32/94/82/638329482.db2.gz DZTFUQQUXFLEDQ-MWLCHTKSSA-N 2 2 254.309 0.358 20 0 CCADLP C[C@H](O)C[NH2+]C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000997235661 638860349 /nfs/dbraw/zinc/86/03/49/638860349.db2.gz AGMHYSOSUIKHBU-LBPRGKRZSA-N 2 2 294.399 0.314 20 0 CCADLP CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC([NH2+]CCF)C1 ZINC000999006321 638954883 /nfs/dbraw/zinc/95/48/83/638954883.db2.gz ADFWHIVXKVLKEX-LKSINWNRSA-N 2 2 294.374 0.994 20 0 CCADLP CC[NH2+]C1CC(N(C)C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000999872796 639013873 /nfs/dbraw/zinc/01/38/73/639013873.db2.gz XVMBGOGWFFECQP-YMAMQOFZSA-N 2 2 295.427 0.696 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001000541647 639112117 /nfs/dbraw/zinc/11/21/17/639112117.db2.gz IJXRWKVCBUUKEI-STQMWFEESA-N 2 2 292.383 0.569 20 0 CCADLP O=c1cc(C[NH2+]C[C@H]2CCC[N@H+]2CCCO)cc[nH]1 ZINC000922154963 639504629 /nfs/dbraw/zinc/50/46/29/639504629.db2.gz QQAPFCAFKUQPMH-CYBMUJFWSA-N 2 2 265.357 0.724 20 0 CCADLP O=c1cc(C[NH2+]C[C@H]2CCC[N@@H+]2CCCO)cc[nH]1 ZINC000922154963 639504635 /nfs/dbraw/zinc/50/46/35/639504635.db2.gz QQAPFCAFKUQPMH-CYBMUJFWSA-N 2 2 265.357 0.724 20 0 CCADLP C[C@H](C[NH3+])[N@H+](C)C[C@H](O)COc1ccccc1F ZINC000923289699 640071842 /nfs/dbraw/zinc/07/18/42/640071842.db2.gz KDUGPMJVGIOTHT-MNOVXSKESA-N 2 2 256.321 0.844 20 0 CCADLP C[C@H](C[NH3+])[N@@H+](C)C[C@H](O)COc1ccccc1F ZINC000923289699 640071845 /nfs/dbraw/zinc/07/18/45/640071845.db2.gz KDUGPMJVGIOTHT-MNOVXSKESA-N 2 2 256.321 0.844 20 0 CCADLP Cc1nc([C@H]2CCC[N@@H+]2C[C@@H]2CC3(C[NH2+]C3)CO2)no1 ZINC000923313164 640077927 /nfs/dbraw/zinc/07/79/27/640077927.db2.gz WNFDUZHGUOAJDB-NWDGAFQWSA-N 2 2 278.356 0.893 20 0 CCADLP Cc1nc([C@H]2CCC[N@H+]2C[C@@H]2CC3(C[NH2+]C3)CO2)no1 ZINC000923313164 640077930 /nfs/dbraw/zinc/07/79/30/640077930.db2.gz WNFDUZHGUOAJDB-NWDGAFQWSA-N 2 2 278.356 0.893 20 0 CCADLP C[C@@H]1C[N@H+](Cc2nc(C(C)(C)[NH3+])no2)CC[C@@H]1C[NH3+] ZINC000923505871 640171601 /nfs/dbraw/zinc/17/16/01/640171601.db2.gz CTSCJVJMTCGTSQ-NXEZZACHSA-N 3 2 267.377 0.680 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)CC[C@@H]1C[NH3+] ZINC000923505871 640171607 /nfs/dbraw/zinc/17/16/07/640171607.db2.gz CTSCJVJMTCGTSQ-NXEZZACHSA-N 3 2 267.377 0.680 20 0 CCADLP O=C1N[C@@H](C2CC[NH+](C[C@H]3CCC[NH2+]3)CC2)CO1 ZINC000923526709 640177790 /nfs/dbraw/zinc/17/77/90/640177790.db2.gz SWFQIVIQNPYXGO-VXGBXAGGSA-N 2 2 253.346 0.559 20 0 CCADLP CO[C@H](C)C[NH+]1CCC(N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001006192998 640199471 /nfs/dbraw/zinc/19/94/71/640199471.db2.gz PVCXPBNQQTYZGM-GFCCVEGCSA-N 2 2 294.399 0.910 20 0 CCADLP Cc1ccc([C@H](O)C[NH2+]C[C@@H](O)C[NH+](C)C)cc1 ZINC000843060858 640360962 /nfs/dbraw/zinc/36/09/62/640360962.db2.gz CYJIQSWYEYJFGO-ZIAGYGMSSA-N 2 2 252.358 0.541 20 0 CCADLP Cc1cc(C)cc([C@@H](O)C[NH2+]C[C@H](O)C[NH+](C)C)c1 ZINC000843062272 640365326 /nfs/dbraw/zinc/36/53/26/640365326.db2.gz NRRBEVZZEYTMFP-GJZGRUSLSA-N 2 2 266.385 0.849 20 0 CCADLP O=C1CC[C@H]([N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C(=O)N1 ZINC000799138545 640547580 /nfs/dbraw/zinc/54/75/80/640547580.db2.gz CGMCTLDBMWSSHH-UWVGGRQHSA-N 2 2 262.313 0.394 20 0 CCADLP O=C1CC[C@H]([N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C(=O)N1 ZINC000799138545 640547582 /nfs/dbraw/zinc/54/75/82/640547582.db2.gz CGMCTLDBMWSSHH-UWVGGRQHSA-N 2 2 262.313 0.394 20 0 CCADLP CC[C@@H](C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1)OC ZINC001015996761 650672429 /nfs/dbraw/zinc/67/24/29/650672429.db2.gz PUKCZCWYSSGVMO-OCCSQVGLSA-N 2 2 294.399 0.578 20 0 CCADLP CC[C@@H](C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1)OC ZINC001015996761 650672431 /nfs/dbraw/zinc/67/24/31/650672431.db2.gz PUKCZCWYSSGVMO-OCCSQVGLSA-N 2 2 294.399 0.578 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001016112761 650683738 /nfs/dbraw/zinc/68/37/38/650683738.db2.gz FRJWBHCYKRLKIY-STQMWFEESA-N 2 2 292.383 0.488 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001016112761 650683739 /nfs/dbraw/zinc/68/37/39/650683739.db2.gz FRJWBHCYKRLKIY-STQMWFEESA-N 2 2 292.383 0.488 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000823473585 641766430 /nfs/dbraw/zinc/76/64/30/641766430.db2.gz BFBVACFRMYBMKH-UONOGXRCSA-N 2 2 279.388 0.372 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000823473585 641766438 /nfs/dbraw/zinc/76/64/38/641766438.db2.gz BFBVACFRMYBMKH-UONOGXRCSA-N 2 2 279.388 0.372 20 0 CCADLP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)on1 ZINC001016251124 650704576 /nfs/dbraw/zinc/70/45/76/650704576.db2.gz KHCCCWFYJWZQJR-CYBMUJFWSA-N 2 2 292.383 0.769 20 0 CCADLP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)on1 ZINC001016251124 650704579 /nfs/dbraw/zinc/70/45/79/650704579.db2.gz KHCCCWFYJWZQJR-CYBMUJFWSA-N 2 2 292.383 0.769 20 0 CCADLP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@@]1(F)CC[NH2+]C1 ZINC000831927110 642409429 /nfs/dbraw/zinc/40/94/29/642409429.db2.gz FYDZYSLORFMNDX-VNHYZAJKSA-N 2 2 299.390 0.448 20 0 CCADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000867094084 642537957 /nfs/dbraw/zinc/53/79/57/642537957.db2.gz ZUWFUWXQSKHMPF-MFKMUULPSA-N 2 2 280.372 0.632 20 0 CCADLP O[C@H](C[NH2+]C[C@H](O)c1ccc(F)cn1)C[NH+]1CCCC1 ZINC000843061189 642982788 /nfs/dbraw/zinc/98/27/88/642982788.db2.gz BNSQYYTWSONILU-OCCSQVGLSA-N 2 2 283.347 0.300 20 0 CCADLP CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001017442331 650802848 /nfs/dbraw/zinc/80/28/48/650802848.db2.gz WRHCRMNKGDXQFP-ZNMIVQPWSA-N 2 2 295.427 0.792 20 0 CCADLP CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001017442331 650802850 /nfs/dbraw/zinc/80/28/50/650802850.db2.gz WRHCRMNKGDXQFP-ZNMIVQPWSA-N 2 2 295.427 0.792 20 0 CCADLP CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001017442331 650802853 /nfs/dbraw/zinc/80/28/53/650802853.db2.gz WRHCRMNKGDXQFP-ZNMIVQPWSA-N 2 2 295.427 0.792 20 0 CCADLP CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001017442331 650802856 /nfs/dbraw/zinc/80/28/56/650802856.db2.gz WRHCRMNKGDXQFP-ZNMIVQPWSA-N 2 2 295.427 0.792 20 0 CCADLP Cn1c[nH+]cc1Cc1noc(CC[C@H]2CC[NH2+]C2)n1 ZINC000843199029 643012144 /nfs/dbraw/zinc/01/21/44/643012144.db2.gz BKXOWTJZCJHNII-JTQLQIEISA-N 2 2 261.329 0.936 20 0 CCADLP C[N@@H+](CC(F)F)C1CCN(C(=O)C2([NH3+])CC2)CC1 ZINC000844187802 643176084 /nfs/dbraw/zinc/17/60/84/643176084.db2.gz LJNJWRKVHYWLJL-UHFFFAOYSA-N 2 2 261.316 0.666 20 0 CCADLP C[C@H](CNC(=O)[C@]1(F)CC[NH2+]C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848432226 643637351 /nfs/dbraw/zinc/63/73/51/643637351.db2.gz WEANNEQYOCWKHL-NMKXLXIOSA-N 2 2 287.379 0.302 20 0 CCADLP C[C@H](CNC(=O)[C@]1(F)CC[NH2+]C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848432226 643637357 /nfs/dbraw/zinc/63/73/57/643637357.db2.gz WEANNEQYOCWKHL-NMKXLXIOSA-N 2 2 287.379 0.302 20 0 CCADLP [NH2+]=C(NCCCCn1cc[nH+]c1)NC[C@@H]1CCCO1 ZINC000848995330 643695465 /nfs/dbraw/zinc/69/54/65/643695465.db2.gz GFLNZELUCPIHDH-LBPRGKRZSA-N 2 2 265.361 0.956 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000851805430 643886640 /nfs/dbraw/zinc/88/66/40/643886640.db2.gz SGXOBKYIIOBYTK-CYBMUJFWSA-N 2 2 281.404 0.685 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000851805430 643886645 /nfs/dbraw/zinc/88/66/45/643886645.db2.gz SGXOBKYIIOBYTK-CYBMUJFWSA-N 2 2 281.404 0.685 20 0 CCADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)C1CC[NH+](C2CC2)CC1 ZINC000857886397 644572539 /nfs/dbraw/zinc/57/25/39/644572539.db2.gz YATDWEYLPKOFAV-GFCCVEGCSA-N 2 2 274.368 0.798 20 0 CCADLP C[C@H](C[C@@H]1CCOC1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000858467343 644623449 /nfs/dbraw/zinc/62/34/49/644623449.db2.gz ULVYMPQEVLHIOE-RDBSUJKOSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@H](C[C@@H]1CCOC1)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000858467343 644623454 /nfs/dbraw/zinc/62/34/54/644623454.db2.gz ULVYMPQEVLHIOE-RDBSUJKOSA-N 2 2 283.416 0.731 20 0 CCADLP Cc1cn2cc(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])ccc2[nH+]1 ZINC000861543033 644890072 /nfs/dbraw/zinc/89/00/72/644890072.db2.gz WJPLSRFGSYRLEM-VIFPVBQESA-N 2 2 289.339 0.387 20 0 CCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH2+]Cc2cnon2)C1 ZINC001019381249 650967965 /nfs/dbraw/zinc/96/79/65/650967965.db2.gz CMFNHINSVYUVBX-NEPJUHHUSA-N 2 2 293.371 0.244 20 0 CCADLP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH2+]Cc2cnon2)C1 ZINC001019381249 650967966 /nfs/dbraw/zinc/96/79/66/650967966.db2.gz CMFNHINSVYUVBX-NEPJUHHUSA-N 2 2 293.371 0.244 20 0 CCADLP C[C@H](CC(=O)N1CC[C@H]([NH2+]CCO)C1)n1cc[nH+]c1 ZINC001019446542 650973927 /nfs/dbraw/zinc/97/39/27/650973927.db2.gz UIOVFJDUFISJJH-NEPJUHHUSA-N 2 2 266.345 0.017 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC001019565762 650988560 /nfs/dbraw/zinc/98/85/60/650988560.db2.gz AGGCIQOKBWBJQE-OLZOCXBDSA-N 2 2 292.383 0.569 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]C(C)C)C1 ZINC001019708192 651000150 /nfs/dbraw/zinc/00/01/50/651000150.db2.gz BZRXDEYZCBPELC-NSHDSACASA-N 2 2 250.346 0.860 20 0 CCADLP C[C@@H](CNC(=O)/C=C\C[NH+]1CCOCC1)[N@H+](C)C1CC1 ZINC000865142756 645329842 /nfs/dbraw/zinc/32/98/42/645329842.db2.gz LGEJPCBMYHYKAV-SCOBNMCVSA-N 2 2 281.400 0.474 20 0 CCADLP C[C@@H](CNC(=O)/C=C\C[NH+]1CCOCC1)[N@@H+](C)C1CC1 ZINC000865142756 645329843 /nfs/dbraw/zinc/32/98/43/645329843.db2.gz LGEJPCBMYHYKAV-SCOBNMCVSA-N 2 2 281.400 0.474 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000865344562 645358042 /nfs/dbraw/zinc/35/80/42/645358042.db2.gz NKPWVLNVFOQGBZ-JHJVBQTASA-N 2 2 277.372 0.808 20 0 CCADLP Cc1oncc1C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001019867979 651010962 /nfs/dbraw/zinc/01/09/62/651010962.db2.gz UCVWUNGOBNXRKB-ZDUSSCGKSA-N 2 2 289.339 0.570 20 0 CCADLP Cc1ncccc1C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001019869358 651012097 /nfs/dbraw/zinc/01/20/97/651012097.db2.gz ZMXKFKZJQHFVQM-HNNXBMFYSA-N 2 2 299.378 0.977 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000866539564 645541837 /nfs/dbraw/zinc/54/18/37/645541837.db2.gz CVLBLQDBIFADIK-DQNOIUNYSA-N 2 2 293.411 0.474 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000866539564 645541844 /nfs/dbraw/zinc/54/18/44/645541844.db2.gz CVLBLQDBIFADIK-DQNOIUNYSA-N 2 2 293.411 0.474 20 0 CCADLP C[C@@H](CC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)n1cc[nH+]c1 ZINC000869776661 645923977 /nfs/dbraw/zinc/92/39/77/645923977.db2.gz QNLKLXSIGMFEEF-STQMWFEESA-N 2 2 294.399 0.796 20 0 CCADLP C[C@@H](CC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)n1cc[nH+]c1 ZINC000869776661 645923988 /nfs/dbraw/zinc/92/39/88/645923988.db2.gz QNLKLXSIGMFEEF-STQMWFEESA-N 2 2 294.399 0.796 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870865942 646029874 /nfs/dbraw/zinc/02/98/74/646029874.db2.gz IAWUOCFSNSRHMS-DNOWBOINSA-N 2 2 281.400 0.356 20 0 CCADLP [NH3+][C@H]1C[C@@H](CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000870963562 646063921 /nfs/dbraw/zinc/06/39/21/646063921.db2.gz NYSPRFHYMREIEN-SCRDCRAPSA-N 2 2 281.400 0.483 20 0 CCADLP [NH3+][C@H]1C[C@@H](CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000870963562 646063926 /nfs/dbraw/zinc/06/39/26/646063926.db2.gz NYSPRFHYMREIEN-SCRDCRAPSA-N 2 2 281.400 0.483 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873294224 646372727 /nfs/dbraw/zinc/37/27/27/646372727.db2.gz QOJSSGCQNHSIPD-ILXRZTDVSA-N 3 2 297.443 0.502 20 0 CCADLP C[C@@H](CNC(=O)C[NH+]1CCCC1)CN1CC[NH+](C)CC1 ZINC000874468114 646468630 /nfs/dbraw/zinc/46/86/30/646468630.db2.gz DDGVXSLEISGAOX-AWEZNQCLSA-N 2 2 282.432 0.082 20 0 CCADLP [NH3+][C@@H]1CCO[C@@H]1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000876741960 646654415 /nfs/dbraw/zinc/65/44/15/646654415.db2.gz PVWFUAQGCGXAGB-KGLIPLIRSA-N 2 2 286.335 0.605 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@]23CCC[C@H]2[NH2+]CC3)CCO1 ZINC000876746278 646655840 /nfs/dbraw/zinc/65/58/40/646655840.db2.gz JRKLZINTZOWBGT-GUTXKFCHSA-N 2 2 281.400 0.356 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@]23CCC[C@H]2[NH2+]CC3)CCO1 ZINC000876746278 646655842 /nfs/dbraw/zinc/65/58/42/646655842.db2.gz JRKLZINTZOWBGT-GUTXKFCHSA-N 2 2 281.400 0.356 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000876854674 646682300 /nfs/dbraw/zinc/68/23/00/646682300.db2.gz WITMHPOYHIXWRQ-SECBINFHSA-N 2 2 258.272 0.257 20 0 CCADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000876856773 646682839 /nfs/dbraw/zinc/68/28/39/646682839.db2.gz TZESNVSZICSACM-UIIMQBOASA-N 2 2 279.384 0.133 20 0 CCADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000876939809 646702181 /nfs/dbraw/zinc/70/21/81/646702181.db2.gz MCKWVKONNRDDNG-VQTKUKTRSA-N 2 2 293.411 0.666 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)[C@@H](C)CO1 ZINC000876961425 646707293 /nfs/dbraw/zinc/70/72/93/646707293.db2.gz TXZJSNQBNGXKKL-UMSGYPCISA-N 2 2 287.379 0.159 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)[C@@H](C)CO1 ZINC000876961425 646707300 /nfs/dbraw/zinc/70/73/00/646707300.db2.gz TXZJSNQBNGXKKL-UMSGYPCISA-N 2 2 287.379 0.159 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@H](C)CO1 ZINC000876961105 646707620 /nfs/dbraw/zinc/70/76/20/646707620.db2.gz QDFQFXZUBSJDQE-ZNSHCXBVSA-N 2 2 291.342 0.052 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@H](C)CO1 ZINC000876961105 646707621 /nfs/dbraw/zinc/70/76/21/646707621.db2.gz QDFQFXZUBSJDQE-ZNSHCXBVSA-N 2 2 291.342 0.052 20 0 CCADLP O=C(N[C@@]12CCC[C@H]1[NH2+]CC2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000877386778 646808205 /nfs/dbraw/zinc/80/82/05/646808205.db2.gz WRYWFKRHPPCINX-BGOOENEXSA-N 2 2 260.341 0.914 20 0 CCADLP O=C(N[C@@]12CCC[C@H]1[NH2+]CC2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000877386778 646808207 /nfs/dbraw/zinc/80/82/07/646808207.db2.gz WRYWFKRHPPCINX-BGOOENEXSA-N 2 2 260.341 0.914 20 0 CCADLP Nc1nnc([C@@H]2CCC[N@H+](C[C@@H](O)C[NH+]3CCCC3)C2)o1 ZINC000878946962 647002689 /nfs/dbraw/zinc/00/26/89/647002689.db2.gz HMMAYARDOPCNAJ-NEPJUHHUSA-N 2 2 295.387 0.288 20 0 CCADLP Nc1nnc([C@@H]2CCC[N@@H+](C[C@@H](O)C[NH+]3CCCC3)C2)o1 ZINC000878946962 647002692 /nfs/dbraw/zinc/00/26/92/647002692.db2.gz HMMAYARDOPCNAJ-NEPJUHHUSA-N 2 2 295.387 0.288 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879569302 647075282 /nfs/dbraw/zinc/07/52/82/647075282.db2.gz MVHCCWRTKAXPIR-WZRBSPASSA-N 2 2 251.374 0.680 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879569302 647075285 /nfs/dbraw/zinc/07/52/85/647075285.db2.gz MVHCCWRTKAXPIR-WZRBSPASSA-N 2 2 251.374 0.680 20 0 CCADLP C[C@H](C(=O)NC1CC1)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879569302 647075287 /nfs/dbraw/zinc/07/52/87/647075287.db2.gz MVHCCWRTKAXPIR-WZRBSPASSA-N 2 2 251.374 0.680 20 0 CCADLP C[C@H](C(=O)NC1CC1)[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879569302 647075290 /nfs/dbraw/zinc/07/52/90/647075290.db2.gz MVHCCWRTKAXPIR-WZRBSPASSA-N 2 2 251.374 0.680 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000879726302 647103955 /nfs/dbraw/zinc/10/39/55/647103955.db2.gz VKGJHZYYWOCJRC-ZIAGYGMSSA-N 2 2 292.383 0.332 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000879726302 647103961 /nfs/dbraw/zinc/10/39/61/647103961.db2.gz VKGJHZYYWOCJRC-ZIAGYGMSSA-N 2 2 292.383 0.332 20 0 CCADLP O=S1(=O)C[C@H]2CC[N@H+](CCCn3cc[nH+]c3)C[C@H]2C1 ZINC000879938551 647130896 /nfs/dbraw/zinc/13/08/96/647130896.db2.gz DHMRJFRNHCXLDK-OLZOCXBDSA-N 2 2 283.397 0.640 20 0 CCADLP O=S1(=O)C[C@H]2CC[N@@H+](CCCn3cc[nH+]c3)C[C@H]2C1 ZINC000879938551 647130898 /nfs/dbraw/zinc/13/08/98/647130898.db2.gz DHMRJFRNHCXLDK-OLZOCXBDSA-N 2 2 283.397 0.640 20 0 CCADLP C[C@H](CO)C[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880254375 647175650 /nfs/dbraw/zinc/17/56/50/647175650.db2.gz UQMAVKPYJBHAJN-ZDUSSCGKSA-N 2 2 283.416 0.421 20 0 CCADLP C[C@H](c1ccccc1)[NH+]1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000882810537 647451379 /nfs/dbraw/zinc/45/13/79/647451379.db2.gz UAMBWXHJCYKGLP-LLVKDONJSA-N 2 2 299.382 0.919 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N2CCCO[C@@H](C[NH3+])C2)c[nH+]1 ZINC000884341563 647714049 /nfs/dbraw/zinc/71/40/49/647714049.db2.gz AEWPZGQMFXPDAM-LBPRGKRZSA-N 2 2 280.372 0.503 20 0 CCADLP C[C@](O)(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)C(F)F ZINC000886173121 647913895 /nfs/dbraw/zinc/91/38/95/647913895.db2.gz HDIJGIIXOKWVLU-NSHDSACASA-N 2 2 260.288 0.548 20 0 CCADLP CS(=O)(=O)CCC[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886870324 648028189 /nfs/dbraw/zinc/02/81/89/648028189.db2.gz VZTNTYXGFCASKV-CYBMUJFWSA-N 2 2 274.430 0.887 20 0 CCADLP CS(=O)(=O)CCC[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886870324 648028192 /nfs/dbraw/zinc/02/81/92/648028192.db2.gz VZTNTYXGFCASKV-CYBMUJFWSA-N 2 2 274.430 0.887 20 0 CCADLP Cn1c[nH+]cc1CN1C(=O)N[C@@H](C[NH+]2CCCCC2)C1=O ZINC000924885361 648385420 /nfs/dbraw/zinc/38/54/20/648385420.db2.gz DHBOUQCBSHSAGK-LBPRGKRZSA-N 2 2 291.355 0.326 20 0 CCADLP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H]1CC[N@H+]1C ZINC000925409435 648430335 /nfs/dbraw/zinc/43/03/35/648430335.db2.gz OJWNHBMEDSHHFM-CYBMUJFWSA-N 2 2 279.388 0.927 20 0 CCADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925416860 648431680 /nfs/dbraw/zinc/43/16/80/648431680.db2.gz XQRBEZMTBQVBGH-KBPBESRZSA-N 2 2 297.447 0.016 20 0 CCADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1CC[N@H+]1C ZINC000925416860 648431685 /nfs/dbraw/zinc/43/16/85/648431685.db2.gz XQRBEZMTBQVBGH-KBPBESRZSA-N 2 2 297.447 0.016 20 0 CCADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925416860 648431691 /nfs/dbraw/zinc/43/16/91/648431691.db2.gz XQRBEZMTBQVBGH-KBPBESRZSA-N 2 2 297.447 0.016 20 0 CCADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1CC[N@H+]1C ZINC000925416860 648431694 /nfs/dbraw/zinc/43/16/94/648431694.db2.gz XQRBEZMTBQVBGH-KBPBESRZSA-N 2 2 297.447 0.016 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925549528 648442224 /nfs/dbraw/zinc/44/22/24/648442224.db2.gz MOUOOGGNDIWOSY-CABCVRRESA-N 3 2 280.460 0.887 20 0 CCADLP C[C@@H](CCS(C)(=O)=O)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925562125 648443351 /nfs/dbraw/zinc/44/33/51/648443351.db2.gz VBMAWNRYJWPUMP-QWRGUYRKSA-N 2 2 260.403 0.684 20 0 CCADLP C[C@H]([NH3+])[C@@H]([NH2+]CC1(CO)COC1)c1ccccc1 ZINC000925618951 648447739 /nfs/dbraw/zinc/44/77/39/648447739.db2.gz XGWTXUHASJOHGT-WCQYABFASA-N 2 2 250.342 0.673 20 0 CCADLP FC(F)(F)CN1CCC[C@H]1C[NH2+][C@@H]1CC[NH2+]C1 ZINC000925835086 648465164 /nfs/dbraw/zinc/46/51/64/648465164.db2.gz MCKZTTTUMLICHM-ZJUUUORDSA-N 2 2 251.296 0.965 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCOC1CCOCC1 ZINC000925877602 648467805 /nfs/dbraw/zinc/46/78/05/648467805.db2.gz KICYXEQAUMKUSB-CHWSQXEVSA-N 2 2 272.389 0.539 20 0 CCADLP O[C@@H](C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C1(O)CCC1 ZINC000929992929 648809571 /nfs/dbraw/zinc/80/95/71/648809571.db2.gz YKGXQRWLAUBAEM-RYUDHWBXSA-N 2 2 265.357 0.865 20 0 CCADLP O[C@@H](C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C1(O)CCC1 ZINC000929992929 648809573 /nfs/dbraw/zinc/80/95/73/648809573.db2.gz YKGXQRWLAUBAEM-RYUDHWBXSA-N 2 2 265.357 0.865 20 0 CCADLP Cc1cc(NC(=O)NCC[NH+]2CCC(O)CC2)c(C)c[nH+]1 ZINC000930626074 648883492 /nfs/dbraw/zinc/88/34/92/648883492.db2.gz RPBITIZMLWYTLU-UHFFFAOYSA-N 2 2 292.383 0.699 20 0 CCADLP Cc1nnc([C@H](C)[NH+]2CCC(O)(C[NH+](C)C)CC2)[nH]1 ZINC000931480388 648993906 /nfs/dbraw/zinc/99/39/06/648993906.db2.gz AZLIQGYUXCHYOM-JTQLQIEISA-N 2 2 267.377 0.563 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CCC(O)(C[NH+](C)C)CC2)C[C@H](C)O1 ZINC000931480640 648994745 /nfs/dbraw/zinc/99/47/45/648994745.db2.gz HGMZNCIZQYSVMY-GASCZTMLSA-N 2 2 299.459 0.484 20 0 CCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H](O)C1(O)CCC1 ZINC000931718539 649022261 /nfs/dbraw/zinc/02/22/61/649022261.db2.gz ASEIQKDAMUUSDX-YNEHKIRRSA-N 2 2 254.374 0.431 20 0 CCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H](O)C1(O)CCC1 ZINC000931718539 649022262 /nfs/dbraw/zinc/02/22/62/649022262.db2.gz ASEIQKDAMUUSDX-YNEHKIRRSA-N 2 2 254.374 0.431 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H](O)C1(O)CCC1 ZINC000931718539 649022264 /nfs/dbraw/zinc/02/22/64/649022264.db2.gz ASEIQKDAMUUSDX-YNEHKIRRSA-N 2 2 254.374 0.431 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H](O)C1(O)CCC1 ZINC000931718539 649022265 /nfs/dbraw/zinc/02/22/65/649022265.db2.gz ASEIQKDAMUUSDX-YNEHKIRRSA-N 2 2 254.374 0.431 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933749036 649141572 /nfs/dbraw/zinc/14/15/72/649141572.db2.gz CXLDJZREKSQKCO-FZMZJTMJSA-N 2 2 262.357 0.550 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933749036 649141574 /nfs/dbraw/zinc/14/15/74/649141574.db2.gz CXLDJZREKSQKCO-FZMZJTMJSA-N 2 2 262.357 0.550 20 0 CCADLP CC(C)[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH+]1CCOCC1 ZINC000158655656 649308537 /nfs/dbraw/zinc/30/85/37/649308537.db2.gz GICCCPPXLFZMGU-AWEZNQCLSA-N 2 2 297.443 0.944 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCCO)[C@@H](C)C1 ZINC000947979390 649358353 /nfs/dbraw/zinc/35/83/53/649358353.db2.gz GMYSLDSQQDFLPQ-AAEUAGOBSA-N 2 2 294.399 0.612 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCCO)[C@@H](C)C1 ZINC000947979390 649358357 /nfs/dbraw/zinc/35/83/57/649358357.db2.gz GMYSLDSQQDFLPQ-AAEUAGOBSA-N 2 2 294.399 0.612 20 0 CCADLP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC000191074498 649466546 /nfs/dbraw/zinc/46/65/46/649466546.db2.gz UTHYHHCOPJJLEL-HNNXBMFYSA-N 2 2 293.411 0.919 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000950732192 649490793 /nfs/dbraw/zinc/49/07/93/649490793.db2.gz DQIWQQOYWQIQAE-CYBMUJFWSA-N 2 2 292.383 0.523 20 0 CCADLP Cn1c[nH+]cc1CN1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001039005624 790326907 /nfs/dbraw/zinc/32/69/07/790326907.db2.gz HDYDPWGSAHZFNN-STQMWFEESA-N 2 2 291.399 0.062 20 0 CCADLP Cn1c[nH+]cc1CN1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039005624 790326921 /nfs/dbraw/zinc/32/69/21/790326921.db2.gz HDYDPWGSAHZFNN-STQMWFEESA-N 2 2 291.399 0.062 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]Cc1cncs1 ZINC001167345875 790931201 /nfs/dbraw/zinc/93/12/01/790931201.db2.gz BKGZAYRFKIPCMT-UHFFFAOYSA-N 2 2 279.369 0.705 20 0 CCADLP Cc1cccnc1C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167355303 790957984 /nfs/dbraw/zinc/95/79/84/790957984.db2.gz ACGBKWYUWRLNHS-UHFFFAOYSA-N 2 2 287.367 0.952 20 0 CCADLP CC[C@H]([NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1)C(N)=O ZINC001167429944 791066710 /nfs/dbraw/zinc/06/67/10/791066710.db2.gz ZIBHEENNTBLNGO-RYUDHWBXSA-N 2 2 295.387 0.194 20 0 CCADLP COCC[N@H+](Cc1c[nH]c(=O)[nH]c1=O)C1CC[NH+](C)CC1 ZINC001231704873 805838358 /nfs/dbraw/zinc/83/83/58/805838358.db2.gz PKBBHRSWFLIUIJ-UHFFFAOYSA-N 2 2 296.371 0.430 20 0 CCADLP COCC[N@@H+](Cc1c[nH]c(=O)[nH]c1=O)C1CC[NH+](C)CC1 ZINC001231704873 805838367 /nfs/dbraw/zinc/83/83/67/805838367.db2.gz PKBBHRSWFLIUIJ-UHFFFAOYSA-N 2 2 296.371 0.430 20 0 CCADLP C[N@H+](CC(=O)N1CCOCC1)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232011553 805881105 /nfs/dbraw/zinc/88/11/05/805881105.db2.gz LZBHVNSMYTXLRJ-UHFFFAOYSA-N 2 2 288.351 0.854 20 0 CCADLP C[N@@H+](CC(=O)N1CCOCC1)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232011553 805881112 /nfs/dbraw/zinc/88/11/12/805881112.db2.gz LZBHVNSMYTXLRJ-UHFFFAOYSA-N 2 2 288.351 0.854 20 0 CCADLP C[NH+](C)CCCN1CC[NH+](Cc2ccc(N)nc2)CC1 ZINC001232368832 805931471 /nfs/dbraw/zinc/93/14/71/805931471.db2.gz CMDDICOEFOJDPL-UHFFFAOYSA-N 2 2 277.416 0.733 20 0 CCADLP CN(C)C(=O)C[N@@H+]1C[C@@H]2COC[C@H](C1)N2c1cc[nH+]cc1 ZINC001277693032 805964333 /nfs/dbraw/zinc/96/43/33/805964333.db2.gz COUCWXDQOOOLLT-OKILXGFUSA-N 2 2 290.367 0.059 20 0 CCADLP CN(C)C(=O)C[N@H+]1C[C@@H]2COC[C@H](C1)N2c1cc[nH+]cc1 ZINC001277693032 805964335 /nfs/dbraw/zinc/96/43/35/805964335.db2.gz COUCWXDQOOOLLT-OKILXGFUSA-N 2 2 290.367 0.059 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)N(C)CC[NH2+]CCCO)ccn12 ZINC001266699746 791154059 /nfs/dbraw/zinc/15/40/59/791154059.db2.gz NVWMGXWVVBGGLJ-UHFFFAOYSA-N 2 2 290.367 0.687 20 0 CCADLP C[C@H]1CC[C@H]([NH2+]CCCN2CC[NH+](C)CC2)C[NH2+]1 ZINC000398957871 791271570 /nfs/dbraw/zinc/27/15/70/791271570.db2.gz JUEBQESJPJDVLE-KBPBESRZSA-N 3 2 254.422 0.354 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CCC1CC1 ZINC001266982114 791419395 /nfs/dbraw/zinc/41/93/95/791419395.db2.gz XPPYLIUUCGTYRS-SNVBAGLBSA-N 2 2 250.346 0.847 20 0 CCADLP C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC1CC1 ZINC001267145175 791588916 /nfs/dbraw/zinc/58/89/16/791588916.db2.gz BBBXMBHUASXVMP-JTQLQIEISA-N 2 2 250.346 0.847 20 0 CCADLP COCC[NH2+][C@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001267145436 791590230 /nfs/dbraw/zinc/59/02/30/791590230.db2.gz QERQNLDGFZRWME-JHJVBQTASA-N 2 2 294.399 0.654 20 0 CCADLP C[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)[C@H](C[NH3+])C1 ZINC000724570884 791596963 /nfs/dbraw/zinc/59/69/63/791596963.db2.gz UZAYGRWAWKJNKI-PEBLQZBPSA-N 2 2 254.374 0.850 20 0 CCADLP C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)[C@H](C[NH3+])C1 ZINC000724570884 791596970 /nfs/dbraw/zinc/59/69/70/791596970.db2.gz UZAYGRWAWKJNKI-PEBLQZBPSA-N 2 2 254.374 0.850 20 0 CCADLP CCC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]cn3C)[C@H]2C1 ZINC001083249986 791622180 /nfs/dbraw/zinc/62/21/80/791622180.db2.gz MHQZHTHKAWZXHV-UONOGXRCSA-N 2 2 292.383 0.284 20 0 CCADLP CCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]cn3C)[C@H]2C1 ZINC001083249986 791622183 /nfs/dbraw/zinc/62/21/83/791622183.db2.gz MHQZHTHKAWZXHV-UONOGXRCSA-N 2 2 292.383 0.284 20 0 CCADLP CCOCC[N@@H+]1CC[C@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001233978745 806160927 /nfs/dbraw/zinc/16/09/27/806160927.db2.gz WEMSDRNHBNGDGZ-ZDUSSCGKSA-N 2 2 294.399 0.912 20 0 CCADLP CCOCC[N@H+]1CC[C@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001233978745 806160930 /nfs/dbraw/zinc/16/09/30/806160930.db2.gz WEMSDRNHBNGDGZ-ZDUSSCGKSA-N 2 2 294.399 0.912 20 0 CCADLP CCOC(=O)C(=O)C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001277839954 806205648 /nfs/dbraw/zinc/20/56/48/806205648.db2.gz ORCFFDWAELDZKI-UHFFFAOYSA-N 2 2 254.330 0.146 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)COCc2ccco2)C[C@H]1[NH3+] ZINC001246033320 807128238 /nfs/dbraw/zinc/12/82/38/807128238.db2.gz VGICVFMNQNXGFU-NTZNESFSSA-N 2 2 254.330 0.436 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)COCc2ccco2)C[C@H]1[NH3+] ZINC001246033320 807128240 /nfs/dbraw/zinc/12/82/40/807128240.db2.gz VGICVFMNQNXGFU-NTZNESFSSA-N 2 2 254.330 0.436 20 0 CCADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]1C[NH2+]CCO ZINC001277883756 806299753 /nfs/dbraw/zinc/29/97/53/806299753.db2.gz ORNOPFCTNCAQNB-CHWSQXEVSA-N 2 2 292.383 0.018 20 0 CCADLP Cc1ccc(O)cc1C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235060747 806361652 /nfs/dbraw/zinc/36/16/52/806361652.db2.gz GPYSYDYNSBUQLM-OAHLLOKOSA-N 2 2 261.369 0.838 20 0 CCADLP Cc1ccc(O)cc1C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235060747 806361662 /nfs/dbraw/zinc/36/16/62/806361662.db2.gz GPYSYDYNSBUQLM-OAHLLOKOSA-N 2 2 261.369 0.838 20 0 CCADLP c1ncn(-c2cccc(C[N@@H+]3CCN[C@@]4(CC[NH2+]C4)C3)c2)n1 ZINC001235062236 806363335 /nfs/dbraw/zinc/36/33/35/806363335.db2.gz OSPIFJWNEQRMRD-MRXNPFEDSA-N 2 2 298.394 0.405 20 0 CCADLP c1ncn(-c2cccc(C[N@H+]3CCN[C@@]4(CC[NH2+]C4)C3)c2)n1 ZINC001235062236 806363345 /nfs/dbraw/zinc/36/33/45/806363345.db2.gz OSPIFJWNEQRMRD-MRXNPFEDSA-N 2 2 298.394 0.405 20 0 CCADLP c1nc2ccc(C[N@@H+]3CCN[C@@]4(CC[NH2+]C4)C3)cc2o1 ZINC001235064972 806368794 /nfs/dbraw/zinc/36/87/94/806368794.db2.gz ZMZATQWLDVCRII-OAHLLOKOSA-N 2 2 272.352 0.965 20 0 CCADLP c1nc2ccc(C[N@H+]3CCN[C@@]4(CC[NH2+]C4)C3)cc2o1 ZINC001235064972 806368802 /nfs/dbraw/zinc/36/88/02/806368802.db2.gz ZMZATQWLDVCRII-OAHLLOKOSA-N 2 2 272.352 0.965 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235233427 806391456 /nfs/dbraw/zinc/39/14/56/806391456.db2.gz PULKTMCLEVDTJJ-LSDHHAIUSA-N 3 2 267.417 0.829 20 0 CCADLP CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001235302949 806403551 /nfs/dbraw/zinc/40/35/51/806403551.db2.gz IMLPYWFPYOGPJX-KBPBESRZSA-N 2 2 293.415 0.366 20 0 CCADLP CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001235302949 806403557 /nfs/dbraw/zinc/40/35/57/806403557.db2.gz IMLPYWFPYOGPJX-KBPBESRZSA-N 2 2 293.415 0.366 20 0 CCADLP COCCN1CC[C@]2(CCC[N@H+](C[C@H](C)[NH3+])C2)C1=O ZINC001235544030 806451328 /nfs/dbraw/zinc/45/13/28/806451328.db2.gz HAMQUJWHMBVLQX-JSGCOSHPSA-N 2 2 269.389 0.295 20 0 CCADLP COCCN1CC[C@]2(CCC[N@@H+](C[C@H](C)[NH3+])C2)C1=O ZINC001235544030 806451333 /nfs/dbraw/zinc/45/13/33/806451333.db2.gz HAMQUJWHMBVLQX-JSGCOSHPSA-N 2 2 269.389 0.295 20 0 CCADLP CC(C)C(=O)NC[C@H]1CCC[C@]2(CC[N@H+](CC[NH3+])C2)O1 ZINC001235547678 806453611 /nfs/dbraw/zinc/45/36/11/806453611.db2.gz RHGWMLCYAKYUKO-UKRRQHHQSA-N 2 2 283.416 0.731 20 0 CCADLP CC(C)C(=O)NC[C@H]1CCC[C@]2(CC[N@@H+](CC[NH3+])C2)O1 ZINC001235547678 806453616 /nfs/dbraw/zinc/45/36/16/806453616.db2.gz RHGWMLCYAKYUKO-UKRRQHHQSA-N 2 2 283.416 0.731 20 0 CCADLP [NH3+]CC[NH+]1CCC2(C[C@@H](C(=O)NC3CCC3)CO2)CC1 ZINC001235597568 806469084 /nfs/dbraw/zinc/46/90/84/806469084.db2.gz QAGKAVXAVQMMKF-GFCCVEGCSA-N 2 2 281.400 0.485 20 0 CCADLP C[C@H]([NH3+])C[NH+]1CCC2(C[C@@H](c3cccnc3)C(=O)N2)CC1 ZINC001235618957 806475502 /nfs/dbraw/zinc/47/55/02/806475502.db2.gz NCSFFVVPTOHABJ-JSGCOSHPSA-N 2 2 288.395 0.867 20 0 CCADLP CCOC(=O)[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)CO1 ZINC001246084607 807147263 /nfs/dbraw/zinc/14/72/63/807147263.db2.gz KVVFGESBEUMFPV-ZDEQEGDKSA-N 2 2 270.373 0.827 20 0 CCADLP COCCN1C(=O)CCC12CC[NH+](C[C@H](C)[NH3+])CC2 ZINC001235659174 806484574 /nfs/dbraw/zinc/48/45/74/806484574.db2.gz CEKDERJNTXIESK-LBPRGKRZSA-N 2 2 269.389 0.437 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1CC[C@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001235659604 806485791 /nfs/dbraw/zinc/48/57/91/806485791.db2.gz HRIBCFVKTBGUQD-UBHSHLNASA-N 2 2 254.374 0.994 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1CC[C@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001235659604 806485795 /nfs/dbraw/zinc/48/57/95/806485795.db2.gz HRIBCFVKTBGUQD-UBHSHLNASA-N 2 2 254.374 0.994 20 0 CCADLP COC(=O)c1cc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cn1C ZINC001235992122 806524183 /nfs/dbraw/zinc/52/41/83/806524183.db2.gz AAUXZYFFWJZTPN-ONXXMXGDSA-N 2 2 293.367 0.217 20 0 CCADLP COC(=O)c1cc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cn1C ZINC001235992122 806524186 /nfs/dbraw/zinc/52/41/86/806524186.db2.gz AAUXZYFFWJZTPN-ONXXMXGDSA-N 2 2 293.367 0.217 20 0 CCADLP CC(=O)N(C)C1CC[NH+](C[C@@H]2C[NH2+]C(C)(C)O2)CC1 ZINC001236043964 806534277 /nfs/dbraw/zinc/53/42/77/806534277.db2.gz HBZOXDWCPMPAKI-ZDUSSCGKSA-N 2 2 269.389 0.654 20 0 CCADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1c(F)ccc(N)c1F ZINC001236083444 806542425 /nfs/dbraw/zinc/54/24/25/806542425.db2.gz QSPHPDWZIZTBHB-UHFFFAOYSA-N 2 2 284.354 0.884 20 0 CCADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1c(F)ccc(N)c1F ZINC001236083444 806542431 /nfs/dbraw/zinc/54/24/31/806542431.db2.gz QSPHPDWZIZTBHB-UHFFFAOYSA-N 2 2 284.354 0.884 20 0 CCADLP CC(C)C[NH2+][C@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001278036289 806625588 /nfs/dbraw/zinc/62/55/88/806625588.db2.gz ZBIGKEKKQRDILN-GFCCVEGCSA-N 2 2 252.362 0.976 20 0 CCADLP C[C@@H]1C[NH+](C2CN(C[C@@H]3C[NH2+]C(C)(C)O3)C2)C[C@@H](C)O1 ZINC001237109123 806640852 /nfs/dbraw/zinc/64/08/52/806640852.db2.gz WAOUVKYZJWLCOI-BZPMIXESSA-N 2 2 283.416 0.504 20 0 CCADLP CCn1ccc(C(=O)NCC[NH+]2CCC([NH3+])CC2)n1 ZINC001122157371 799157121 /nfs/dbraw/zinc/15/71/21/799157121.db2.gz KXGWHRNKSRZWEA-UHFFFAOYSA-N 2 2 265.361 0.056 20 0 CCADLP Cc1cc(F)ncc1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001122157676 799157486 /nfs/dbraw/zinc/15/74/86/799157486.db2.gz SGRNRDVNSSYMDF-UHFFFAOYSA-N 2 2 280.347 0.682 20 0 CCADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](C[C@H]2CCC(=O)N2)CC1 ZINC001202878163 799769119 /nfs/dbraw/zinc/76/91/19/799769119.db2.gz MOLSUSSPDLHMEU-HIFRSBDPSA-N 2 2 295.427 0.840 20 0 CCADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](C[C@H]2CCC(=O)N2)CC1 ZINC001202878163 799769126 /nfs/dbraw/zinc/76/91/26/799769126.db2.gz MOLSUSSPDLHMEU-HIFRSBDPSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@H]1C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)s2)C[C@@H]1O ZINC001139321887 799803257 /nfs/dbraw/zinc/80/32/57/799803257.db2.gz MFXCFLMRKLEXPS-AAEUAGOBSA-N 2 2 296.440 0.708 20 0 CCADLP C[C@H]1C[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)s2)C[C@@H]1O ZINC001139321887 799803263 /nfs/dbraw/zinc/80/32/63/799803263.db2.gz MFXCFLMRKLEXPS-AAEUAGOBSA-N 2 2 296.440 0.708 20 0 CCADLP CC[NH+]1C[C@@H]2C[NH+](Cc3cnn(CCOC)c3)C[C@H]2C1 ZINC001139782932 799844065 /nfs/dbraw/zinc/84/40/65/799844065.db2.gz FAPCWWJIDGNLBV-HUUCEWRRSA-N 2 2 278.400 0.913 20 0 CCADLP O=C(NCC1([NH+]2CCCC2)COC1)[C@@H]1CC2CC[NH+]1CC2 ZINC001142635588 800142980 /nfs/dbraw/zinc/14/29/80/800142980.db2.gz ORWDYJLWVONDIZ-AWEZNQCLSA-N 2 2 293.411 0.452 20 0 CCADLP CC[C@H](F)C[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149570891 800276583 /nfs/dbraw/zinc/27/65/83/800276583.db2.gz DYPWYRHLLFFUNQ-NSHDSACASA-N 2 2 270.352 0.807 20 0 CCADLP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001151975848 800476542 /nfs/dbraw/zinc/47/65/42/800476542.db2.gz HZYCTNRAOMSFJR-UHFFFAOYSA-N 3 2 274.328 0.637 20 0 CCADLP Cc1noc(C[NH2+]CCNC(=O)CCC[NH+]2CCCC2)n1 ZINC001152222610 800503167 /nfs/dbraw/zinc/50/31/67/800503167.db2.gz ABVGXRCZHXWMHV-UHFFFAOYSA-N 2 2 295.387 0.460 20 0 CCADLP COCCC[NH2+]CCNC(=O)CCCn1cc[nH+]c1 ZINC001153345083 800624696 /nfs/dbraw/zinc/62/46/96/800624696.db2.gz OSMXWLPWULMYPM-UHFFFAOYSA-N 2 2 268.361 0.406 20 0 CCADLP COC(=O)[C@H]([NH3+])C1CCN(c2[nH+]cccc2N)CC1 ZINC001155153316 800920323 /nfs/dbraw/zinc/92/03/23/800920323.db2.gz PKGDPIXSDVTBKZ-LLVKDONJSA-N 2 2 264.329 0.381 20 0 CCADLP Cc1nc(N(C)C)nc(N[C@@H]2COCCC23C[NH2+]C3)[nH+]1 ZINC001155467023 800981588 /nfs/dbraw/zinc/98/15/88/800981588.db2.gz APWWQVKRDWRSJH-SNVBAGLBSA-N 2 2 278.360 0.036 20 0 CCADLP Cc1nc2[nH]ccc2c(NC[C@]23C[NH2+]C[C@H]2COC3)[nH+]1 ZINC001155510510 800994989 /nfs/dbraw/zinc/99/49/89/800994989.db2.gz VJGBJVXYLWJJBB-HZMBPMFUSA-N 2 2 273.340 0.914 20 0 CCADLP CCc1nc(C[NH2+]CCCNC(=O)[C@H]2CCC[N@@H+]2C)no1 ZINC001155791068 801052771 /nfs/dbraw/zinc/05/27/71/801052771.db2.gz RRZNTADRNNYBEM-LLVKDONJSA-N 2 2 295.387 0.322 20 0 CCADLP CCc1nc(C[NH2+]CCCNC(=O)[C@H]2CCC[N@H+]2C)no1 ZINC001155791068 801052776 /nfs/dbraw/zinc/05/27/76/801052776.db2.gz RRZNTADRNNYBEM-LLVKDONJSA-N 2 2 295.387 0.322 20 0 CCADLP CC[C@H](C)COC(=O)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239334695 806887058 /nfs/dbraw/zinc/88/70/58/806887058.db2.gz LEQRPCNPFCVHFU-ZDUSSCGKSA-N 2 2 286.420 0.254 20 0 CCADLP CC[C@@H](C)OC(=O)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239335013 806888480 /nfs/dbraw/zinc/88/84/80/806888480.db2.gz XSQUCMPDNWSDLH-GFCCVEGCSA-N 2 2 272.393 0.006 20 0 CCADLP Cc1ncc(C[NH3+])c(=N)n1C(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156975586 801277568 /nfs/dbraw/zinc/27/75/68/801277568.db2.gz RTACDLVWHRXZMO-UHFFFAOYSA-N 2 2 297.322 0.277 20 0 CCADLP CC[N@H+](CCO)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248372 801332177 /nfs/dbraw/zinc/33/21/77/801332177.db2.gz NJWSZVKKIOMPCT-CYBMUJFWSA-N 2 2 282.388 0.482 20 0 CCADLP CC[N@@H+](CCO)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248372 801332186 /nfs/dbraw/zinc/33/21/86/801332186.db2.gz NJWSZVKKIOMPCT-CYBMUJFWSA-N 2 2 282.388 0.482 20 0 CCADLP Cc1cc(N(C(N)=[NH2+])C(=O)[C@@H]2CCCC[NH2+]2)n[nH]1 ZINC001157440371 801383624 /nfs/dbraw/zinc/38/36/24/801383624.db2.gz UMIRSSLVGZNXIG-QMMMGPOBSA-N 2 2 250.306 0.087 20 0 CCADLP CN(C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)C1CC(F)(F)C1 ZINC001157564324 801421328 /nfs/dbraw/zinc/42/13/28/801421328.db2.gz JISVFQISYIIOPJ-UFBFGSQYSA-N 2 2 259.300 0.194 20 0 CCADLP CN(C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)C1CC(F)(F)C1 ZINC001157564322 801421475 /nfs/dbraw/zinc/42/14/75/801421475.db2.gz JISVFQISYIIOPJ-PRHODGIISA-N 2 2 259.300 0.194 20 0 CCADLP O=C(N1CCC(=O)[C@@H]2CCCC[C@@H]21)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157567742 801422324 /nfs/dbraw/zinc/42/23/24/801422324.db2.gz NUDZBYHPNSNARO-ZWUHOBOKSA-N 2 2 291.395 0.298 20 0 CCADLP C[C@H]1CCN(C(=O)C2([NH3+])CC[NH2+]CC2)CCC1(F)F ZINC001157849300 801500390 /nfs/dbraw/zinc/50/03/90/801500390.db2.gz SYODISLVSBBPCR-JTQLQIEISA-N 2 2 275.343 0.961 20 0 CCADLP C[C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CCC1(F)F ZINC001157849351 801500545 /nfs/dbraw/zinc/50/05/45/801500545.db2.gz USOMPOMPADVYFM-NQBHXWOUSA-N 2 2 287.354 0.832 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@](CF)(C(F)(F)F)C1 ZINC001157889544 801510751 /nfs/dbraw/zinc/51/07/51/801510751.db2.gz LJOMFSMEGHFVCQ-OYNCUSHFSA-N 2 2 283.269 0.284 20 0 CCADLP C[C@@]1(F)CCCCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001157914406 801518489 /nfs/dbraw/zinc/51/84/89/801518489.db2.gz JMDTVPCKIZRJGY-CIQGVGRVSA-N 2 2 269.364 0.677 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ncc(Cl)cc2N)CC1 ZINC001157915646 801520050 /nfs/dbraw/zinc/52/00/50/801520050.db2.gz UNMOCLFXNYFARH-UHFFFAOYSA-N 2 2 268.752 0.911 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158160027 801578321 /nfs/dbraw/zinc/57/83/21/801578321.db2.gz CXLKFKUZSOZKAU-JSGCOSHPSA-N 3 2 277.372 0.024 20 0 CCADLP Cc1nc2ccc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)nc2n1C ZINC001158203905 801592813 /nfs/dbraw/zinc/59/28/13/801592813.db2.gz JJIVGIMAQKWVHE-SNVBAGLBSA-N 2 2 286.339 0.325 20 0 CCADLP Cc1nc(Cl)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1C ZINC001158204971 801592905 /nfs/dbraw/zinc/59/29/05/801592905.db2.gz YOWDRVYBXGSZQX-SECBINFHSA-N 2 2 281.747 0.795 20 0 CCADLP Cc1nc2c(c(-n3c[nH+]cc3C[C@@H]([NH3+])CO)n1)CCC2 ZINC001158206280 801593845 /nfs/dbraw/zinc/59/38/45/801593845.db2.gz HNCDAQGAWVHXPH-SNVBAGLBSA-N 2 2 273.340 0.322 20 0 CCADLP Cc1nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc(C)c1Cl ZINC001158206682 801593935 /nfs/dbraw/zinc/59/39/35/801593935.db2.gz XQQGSDRSGGDPQT-SECBINFHSA-N 2 2 281.747 0.795 20 0 CCADLP Cc1ncc(F)c(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158259862 801608032 /nfs/dbraw/zinc/60/80/32/801608032.db2.gz WOVFXYRVKJRGLF-NSHDSACASA-N 2 2 279.363 0.926 20 0 CCADLP Cc1ncc(F)c(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158259862 801608034 /nfs/dbraw/zinc/60/80/34/801608034.db2.gz WOVFXYRVKJRGLF-NSHDSACASA-N 2 2 279.363 0.926 20 0 CCADLP COc1ccnc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158260213 801608079 /nfs/dbraw/zinc/60/80/79/801608079.db2.gz YMROBDCUDBPCJY-LLVKDONJSA-N 2 2 277.372 0.487 20 0 CCADLP COc1ccnc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158260213 801608082 /nfs/dbraw/zinc/60/80/82/801608082.db2.gz YMROBDCUDBPCJY-LLVKDONJSA-N 2 2 277.372 0.487 20 0 CCADLP CO[C@@H]1CN(c2cc(N3CCSCC3)[nH+]cn2)C[C@@H]1[NH3+] ZINC001158713195 801692018 /nfs/dbraw/zinc/69/20/18/801692018.db2.gz XVCXJQFZPRXMOR-WDEREUQCSA-N 2 2 295.412 0.192 20 0 CCADLP C[C@H]1C[C@H]2CN(C(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)CC[C@H]2O1 ZINC001158855817 801713349 /nfs/dbraw/zinc/71/33/49/801713349.db2.gz JNOIAARVWKQSPY-BXCDGJFSSA-N 2 2 279.384 0.234 20 0 CCADLP C[NH+]1CC2(CN(c3nc(N4CCC([NH3+])CC4)cc[nH+]3)C2)C1 ZINC001158866471 801717270 /nfs/dbraw/zinc/71/72/70/801717270.db2.gz RSRTUXOAVPJONE-UHFFFAOYSA-N 3 2 288.399 0.156 20 0 CCADLP [NH3+]C1CCN(c2cccc(NC[C@@H]3COCC[NH2+]3)[nH+]2)CC1 ZINC001159044039 801749099 /nfs/dbraw/zinc/74/90/99/801749099.db2.gz MTNWORAGTALFPD-CYBMUJFWSA-N 3 2 291.399 0.409 20 0 CCADLP Cc1c[nH+]c2n1CCC21CCN(C(=O)[C@@H]2COC[NH2+]2)CC1 ZINC001159382537 801799207 /nfs/dbraw/zinc/79/92/07/801799207.db2.gz TUVSSJDYANYPOZ-LBPRGKRZSA-N 2 2 290.367 0.401 20 0 CCADLP Nc1[nH+]c(NCCOCCOCC[NH3+])ccc1Cl ZINC001159448088 801810281 /nfs/dbraw/zinc/81/02/81/801810281.db2.gz VKDDFLRPMLJLSB-UHFFFAOYSA-N 2 2 274.752 0.721 20 0 CCADLP [NH3+]C1CCN(c2cccc(N[C@H]3C[NH2+]C[C@H]3CO)[nH+]2)CC1 ZINC001159680483 801849794 /nfs/dbraw/zinc/84/97/94/801849794.db2.gz JCVBVYCQLSBIKD-AAEUAGOBSA-N 3 2 291.399 0.001 20 0 CCADLP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cccc(N)[nH+]1 ZINC001159749919 801861676 /nfs/dbraw/zinc/86/16/76/801861676.db2.gz DLWMLSXXNQFILE-RKDXNWHRSA-N 2 2 250.302 0.227 20 0 CCADLP O=C([C@@H]1COCC[NH2+]1)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001160461547 801944914 /nfs/dbraw/zinc/94/49/14/801944914.db2.gz SLGLIHKRXHBTGD-KGLIPLIRSA-N 2 2 281.400 0.452 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCn2cccc2C1 ZINC001160476626 801947868 /nfs/dbraw/zinc/94/78/68/801947868.db2.gz JPNMIARUOXBTQH-GFCCVEGCSA-N 2 2 259.313 0.123 20 0 CCADLP CN(Cc1cccc2cccnc21)C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001160537432 801965646 /nfs/dbraw/zinc/96/56/46/801965646.db2.gz KRYCFXBFLQANBR-KBPBESRZSA-N 2 2 284.363 0.740 20 0 CCADLP Cc1nc([C@H]2CCCCN2C(=O)C2([NH3+])CC[NH2+]CC2)no1 ZINC001160548957 801968740 /nfs/dbraw/zinc/96/87/40/801968740.db2.gz KKRPOQPWPDVORF-LLVKDONJSA-N 2 2 293.371 0.513 20 0 CCADLP Cn1cc2c(n1)CCN(C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)C2 ZINC001160558984 801969971 /nfs/dbraw/zinc/96/99/71/801969971.db2.gz YIJXGIHDRUZWLM-CQSZACIVSA-N 2 2 299.378 0.577 20 0 CCADLP O=C([C@@H]1CC[NH2+]C[C@H]1F)N1CCc2[nH+]ccn2CC1 ZINC001160760437 802016932 /nfs/dbraw/zinc/01/69/32/802016932.db2.gz MDGUBTABFIDEFQ-GHMZBOCLSA-N 2 2 266.320 0.215 20 0 CCADLP COC[C@H](C)[NH2+]CCCNC(=O)Cc1c[nH+]ccc1OC ZINC001160844376 802027511 /nfs/dbraw/zinc/02/75/11/802027511.db2.gz AMDBHBQHMMNNEP-LBPRGKRZSA-N 2 2 295.383 0.764 20 0 CCADLP COC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160909554 802047068 /nfs/dbraw/zinc/04/70/68/802047068.db2.gz YVTMREVLQRDQOM-NWGXIFETSA-N 2 2 279.384 0.106 20 0 CCADLP Nc1cc(-n2cc(CC[NH3+])c3c[nH+]ccc32)nc[nH+]1 ZINC001160950117 802051704 /nfs/dbraw/zinc/05/17/04/802051704.db2.gz JJGUVCGMLXMBHS-UHFFFAOYSA-N 3 2 254.297 0.899 20 0 CCADLP CCN(Cc1cccc(F)c1F)C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001161101461 802090443 /nfs/dbraw/zinc/09/04/43/802090443.db2.gz BJSHIZDAVZBODG-JQWIXIFHSA-N 2 2 283.322 0.860 20 0 CCADLP CO[C@@H](C)C[NH2+]CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001161215779 802108920 /nfs/dbraw/zinc/10/89/20/802108920.db2.gz ZTDNXRYCAMXVEU-QWHCGFSZSA-N 2 2 294.399 0.576 20 0 CCADLP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161379444 802141506 /nfs/dbraw/zinc/14/15/06/802141506.db2.gz PRFNLSCTZXHUKV-CABCVRRESA-N 3 2 296.459 0.645 20 0 CCADLP C[N@H+](C1CN(C(=O)c2cnc(C[NH3+])s2)C1)[C@H]1CCOC1 ZINC001161498322 802165345 /nfs/dbraw/zinc/16/53/45/802165345.db2.gz DUXPGIGYEBTWLG-VIFPVBQESA-N 2 2 296.396 0.147 20 0 CCADLP C[N@@H+](C1CN(C(=O)c2cnc(C[NH3+])s2)C1)[C@H]1CCOC1 ZINC001161498322 802165348 /nfs/dbraw/zinc/16/53/48/802165348.db2.gz DUXPGIGYEBTWLG-VIFPVBQESA-N 2 2 296.396 0.147 20 0 CCADLP O=C1C[C@@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)CCCN1 ZINC001162455938 802343183 /nfs/dbraw/zinc/34/31/83/802343183.db2.gz ZCQQLUCYDJIKDQ-LBPRGKRZSA-N 2 2 289.383 0.572 20 0 CCADLP COC(=O)CN1CC[NH+]([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254522029 808254448 /nfs/dbraw/zinc/25/44/48/808254448.db2.gz AXVKOSOILZYESX-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP COC(=O)CN1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254522029 808254451 /nfs/dbraw/zinc/25/44/51/808254451.db2.gz AXVKOSOILZYESX-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP C[NH+](C)Cc1ccc(NC[C@H]2C[N@H+](C)CCO2)nc1 ZINC001162682238 802388095 /nfs/dbraw/zinc/38/80/95/802388095.db2.gz AHPPCQUSFYCFAO-ZDUSSCGKSA-N 2 2 264.373 0.886 20 0 CCADLP C[NH+](C)Cc1ccc(NC[C@H]2C[N@@H+](C)CCO2)nc1 ZINC001162682238 802388104 /nfs/dbraw/zinc/38/81/04/802388104.db2.gz AHPPCQUSFYCFAO-ZDUSSCGKSA-N 2 2 264.373 0.886 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1cc[nH+]c(N)n1 ZINC001162853969 802429512 /nfs/dbraw/zinc/42/95/12/802429512.db2.gz FPAUFOLUUQPPQD-ZETCQYMHSA-N 2 2 253.306 0.140 20 0 CCADLP C[N@@H+]1CCc2ncnc(NC[C@]34C[NH2+]C[C@H]3COC4)c2C1 ZINC001163153515 802496403 /nfs/dbraw/zinc/49/64/03/802496403.db2.gz LBMAPFDPOOFEIL-NHYWBVRUSA-N 2 2 289.383 0.112 20 0 CCADLP C[N@H+]1CCc2ncnc(NC[C@]34C[NH2+]C[C@H]3COC4)c2C1 ZINC001163153515 802496407 /nfs/dbraw/zinc/49/64/07/802496407.db2.gz LBMAPFDPOOFEIL-NHYWBVRUSA-N 2 2 289.383 0.112 20 0 CCADLP O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ccn3cc[nH+]c3c2)N1 ZINC001163241454 802514707 /nfs/dbraw/zinc/51/47/07/802514707.db2.gz NSYKDCQRLJJZLU-GWCFXTLKSA-N 2 2 257.297 0.324 20 0 CCADLP Cc1cc(C[NH3+])nn1-c1cncc(-n2cc[nH+]c2C)n1 ZINC001163981792 802644608 /nfs/dbraw/zinc/64/46/08/802644608.db2.gz SKOHZVFNZNTPAR-UHFFFAOYSA-N 2 2 269.312 0.924 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCCC[N@@H+](C)C[C@@H](C)O)c[nH+]1 ZINC001264998888 809690593 /nfs/dbraw/zinc/69/05/93/809690593.db2.gz CEICAPFWIDSTSZ-CYBMUJFWSA-N 2 2 296.415 0.746 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCCC[N@H+](C)C[C@@H](C)O)c[nH+]1 ZINC001264998888 809690598 /nfs/dbraw/zinc/69/05/98/809690598.db2.gz CEICAPFWIDSTSZ-CYBMUJFWSA-N 2 2 296.415 0.746 20 0 CCADLP O[C@@H]1CCN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)CC[C@@H]1F ZINC001164236462 802693414 /nfs/dbraw/zinc/69/34/14/802693414.db2.gz ASUCGFLLGPTWFW-UONOGXRCSA-N 2 2 294.374 0.790 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Nc2cnccc2/C=C/[NH+](C)C)C[NH2+]1 ZINC001164310983 802718135 /nfs/dbraw/zinc/71/81/35/802718135.db2.gz DZPJHICVXTYCLC-YTDWTQRBSA-N 2 2 290.367 0.929 20 0 CCADLP CN(C)C(=O)CN(C)c1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001165061179 802779396 /nfs/dbraw/zinc/77/93/96/802779396.db2.gz CLMMUWKBZJGGLJ-UHFFFAOYSA-N 2 2 291.399 0.358 20 0 CCADLP C[NH+]1CCN(c2cccc(N3CCC([NH3+])CC3)[nH+]2)CC1 ZINC001165065262 802779496 /nfs/dbraw/zinc/77/94/96/802779496.db2.gz XCMWPLOBIQORLY-UHFFFAOYSA-N 3 2 275.400 0.761 20 0 CCADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001165382020 802830270 /nfs/dbraw/zinc/83/02/70/802830270.db2.gz JFIQPFCLXVSNNY-REMWZVIDSA-N 2 2 273.336 0.970 20 0 CCADLP COC[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001166402218 802904656 /nfs/dbraw/zinc/90/46/56/802904656.db2.gz LWWSECLBGUJKFV-VXGBXAGGSA-N 2 2 294.399 0.960 20 0 CCADLP COC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001166402216 802904866 /nfs/dbraw/zinc/90/48/66/802904866.db2.gz LWWSECLBGUJKFV-NWDGAFQWSA-N 2 2 294.399 0.960 20 0 CCADLP c1cc(N2C[C@@H]3C[C@H]2CO3)[nH+]cc1N1CC[NH2+]CC1 ZINC001166756979 802957536 /nfs/dbraw/zinc/95/75/36/802957536.db2.gz WFSPMIZKVITSGU-STQMWFEESA-N 2 2 260.341 0.469 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925847988 812451983 /nfs/dbraw/zinc/45/19/83/812451983.db2.gz XOJOSTPBXSFOJY-CABCVRRESA-N 3 2 268.449 0.650 20 0 CCADLP Cc1nc(-n2cncn2)cc(N(C)C[C@@H]2CC[NH2+]C2)[nH+]1 ZINC001166959624 802994906 /nfs/dbraw/zinc/99/49/06/802994906.db2.gz ICEKXIUENIWEJG-LLVKDONJSA-N 2 2 273.344 0.411 20 0 CCADLP CCC[NH+]1CC([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001276440134 803063825 /nfs/dbraw/zinc/06/38/25/803063825.db2.gz QCNXRDRFNIQMLZ-JTQLQIEISA-N 2 2 250.346 0.799 20 0 CCADLP Cn1c[nH+]cc1CN1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001204383218 803082182 /nfs/dbraw/zinc/08/21/82/803082182.db2.gz ZYGOLYGDHRRACP-CYBMUJFWSA-N 2 2 288.399 0.810 20 0 CCADLP CC[N@H+](CCCC(=O)OC)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001205924402 803186805 /nfs/dbraw/zinc/18/68/05/803186805.db2.gz SHOQRKRYCCUSKB-NSHDSACASA-N 2 2 258.362 0.986 20 0 CCADLP CC[N@@H+](CCCC(=O)OC)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001205924402 803186809 /nfs/dbraw/zinc/18/68/09/803186809.db2.gz SHOQRKRYCCUSKB-NSHDSACASA-N 2 2 258.362 0.986 20 0 CCADLP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)ccc1O ZINC001205946179 803188988 /nfs/dbraw/zinc/18/89/88/803188988.db2.gz JRIWXHXURISQKU-ZYHUDNBSSA-N 2 2 252.314 0.295 20 0 CCADLP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)ccc1O ZINC001205946179 803188991 /nfs/dbraw/zinc/18/89/91/803188991.db2.gz JRIWXHXURISQKU-ZYHUDNBSSA-N 2 2 252.314 0.295 20 0 CCADLP COCc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)s1 ZINC001205953068 803190161 /nfs/dbraw/zinc/19/01/61/803190161.db2.gz JLCDTRMHEWZUCY-VXGBXAGGSA-N 2 2 256.371 0.788 20 0 CCADLP COCc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)s1 ZINC001205953068 803190164 /nfs/dbraw/zinc/19/01/64/803190164.db2.gz JLCDTRMHEWZUCY-VXGBXAGGSA-N 2 2 256.371 0.788 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2ccnn2-c2ccccc2)C[C@H]1O ZINC001206470504 803248599 /nfs/dbraw/zinc/24/85/99/803248599.db2.gz YAWLGXVTMBPGDA-SWLSCSKDSA-N 2 2 272.352 0.624 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccnn2-c2ccccc2)C[C@H]1O ZINC001206470504 803248604 /nfs/dbraw/zinc/24/86/04/803248604.db2.gz YAWLGXVTMBPGDA-SWLSCSKDSA-N 2 2 272.352 0.624 20 0 CCADLP COc1ccc(OC)c(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1N ZINC001206468483 803248994 /nfs/dbraw/zinc/24/89/94/803248994.db2.gz IUFKOAQYJRFTSF-GXSJLCMTSA-N 2 2 281.356 0.037 20 0 CCADLP COc1ccc(OC)c(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1N ZINC001206468483 803248999 /nfs/dbraw/zinc/24/89/99/803248999.db2.gz IUFKOAQYJRFTSF-GXSJLCMTSA-N 2 2 281.356 0.037 20 0 CCADLP COC(=O)c1cccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1OC ZINC001206491284 803253937 /nfs/dbraw/zinc/25/39/37/803253937.db2.gz JHGVJRYGLIJHRE-WCQYABFASA-N 2 2 294.351 0.233 20 0 CCADLP COC(=O)c1cccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1OC ZINC001206491284 803253940 /nfs/dbraw/zinc/25/39/40/803253940.db2.gz JHGVJRYGLIJHRE-WCQYABFASA-N 2 2 294.351 0.233 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](CCc2c(F)cccc2F)C[C@@H]1O ZINC001206512285 803256133 /nfs/dbraw/zinc/25/61/33/803256133.db2.gz KTUARKMFHGNBSK-ZANVPECISA-N 2 2 256.296 0.759 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CCc2c(F)cccc2F)C[C@@H]1O ZINC001206512285 803256136 /nfs/dbraw/zinc/25/61/36/803256136.db2.gz KTUARKMFHGNBSK-ZANVPECISA-N 2 2 256.296 0.759 20 0 CCADLP CC(C)(O)c1ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cn1 ZINC001206530545 803261411 /nfs/dbraw/zinc/26/14/11/803261411.db2.gz KVXKTAJICOBOKK-RYUDHWBXSA-N 2 2 265.357 0.060 20 0 CCADLP CC(C)(O)c1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cn1 ZINC001206530545 803261414 /nfs/dbraw/zinc/26/14/14/803261414.db2.gz KVXKTAJICOBOKK-RYUDHWBXSA-N 2 2 265.357 0.060 20 0 CCADLP CC[NH+]1CCC(C[NH2+]Cc2nnc(COC)[nH]2)CC1 ZINC001206576710 803268312 /nfs/dbraw/zinc/26/83/12/803268312.db2.gz CLLNSCALLRUFCK-UHFFFAOYSA-N 2 2 267.377 0.773 20 0 CCADLP CN(C)C(=O)CN1CC2(C1)C[NH+](C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001276497477 803291566 /nfs/dbraw/zinc/29/15/66/803291566.db2.gz WWVRVVUMXIUZNC-CQSZACIVSA-N 2 2 294.443 0.034 20 0 CCADLP CN(C)C(=O)CN1CC2(C1)C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001276497477 803291570 /nfs/dbraw/zinc/29/15/70/803291570.db2.gz WWVRVVUMXIUZNC-CQSZACIVSA-N 2 2 294.443 0.034 20 0 CCADLP C[NH+](C)CCN1CCC2(C[NH+](C[C@H]3CCC[N@H+](C)C3)C2)C1 ZINC001276496871 803291779 /nfs/dbraw/zinc/29/17/79/803291779.db2.gz ARAAEZORISMEHE-INIZCTEOSA-N 3 2 294.487 0.898 20 0 CCADLP C[NH+](C)CCN1CCC2(C[NH+](C[C@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001276496871 803291782 /nfs/dbraw/zinc/29/17/82/803291782.db2.gz ARAAEZORISMEHE-INIZCTEOSA-N 3 2 294.487 0.898 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C[NH2+]C[C@H](C)O)CC1 ZINC001206898279 803302314 /nfs/dbraw/zinc/30/23/14/803302314.db2.gz KMLPSDBDQXGJFK-NSHDSACASA-N 2 2 294.399 0.470 20 0 CCADLP CC[N@@H+]1CCO[C@@H]2C[NH+](C[C@H]3COC(C)(C)O3)C[C@@H]2C1 ZINC001207927142 803467458 /nfs/dbraw/zinc/46/74/58/803467458.db2.gz QPEHJIJHRVBLNL-MELADBBJSA-N 2 2 284.400 0.790 20 0 CCADLP CC[N@H+]1CCO[C@@H]2C[NH+](C[C@H]3COC(C)(C)O3)C[C@@H]2C1 ZINC001207927142 803467463 /nfs/dbraw/zinc/46/74/63/803467463.db2.gz QPEHJIJHRVBLNL-MELADBBJSA-N 2 2 284.400 0.790 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@H+](C[C@H]3COC(C)(C)O3)C[C@@H]2C1 ZINC001207927142 803467468 /nfs/dbraw/zinc/46/74/68/803467468.db2.gz QPEHJIJHRVBLNL-MELADBBJSA-N 2 2 284.400 0.790 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@@H+](C[C@H]3COC(C)(C)O3)C[C@@H]2C1 ZINC001207927142 803467470 /nfs/dbraw/zinc/46/74/70/803467470.db2.gz QPEHJIJHRVBLNL-MELADBBJSA-N 2 2 284.400 0.790 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001208299229 803503072 /nfs/dbraw/zinc/50/30/72/803503072.db2.gz LXGOECFWJGWJBW-JSGCOSHPSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001208299229 803503076 /nfs/dbraw/zinc/50/30/76/803503076.db2.gz LXGOECFWJGWJBW-JSGCOSHPSA-N 2 2 294.399 0.958 20 0 CCADLP CC[NH+]1CCC(C[N@@H+]2C[C@@H](F)C[C@H]2C(N)=O)CC1 ZINC001208598639 803526769 /nfs/dbraw/zinc/52/67/69/803526769.db2.gz VLEWHHWXOQDNAW-RYUDHWBXSA-N 2 2 257.353 0.616 20 0 CCADLP CC[NH+]1CCC(C[N@H+]2C[C@@H](F)C[C@H]2C(N)=O)CC1 ZINC001208598639 803526772 /nfs/dbraw/zinc/52/67/72/803526772.db2.gz VLEWHHWXOQDNAW-RYUDHWBXSA-N 2 2 257.353 0.616 20 0 CCADLP C1=CO[C@@H](C[NH+]2CCN(CC[NH+]3CCOCC3)CC2)CC1 ZINC001208879823 803551331 /nfs/dbraw/zinc/55/13/31/803551331.db2.gz HMJHIGGHQDWEBF-MRXNPFEDSA-N 2 2 295.427 0.629 20 0 CCADLP O=C(N[C@@H](C[NH2+]CCF)C1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001276611611 803571750 /nfs/dbraw/zinc/57/17/50/803571750.db2.gz JUOBYMWFEDSPKH-JSGCOSHPSA-N 2 2 294.374 0.899 20 0 CCADLP Nc1cc[nH+]cc1C[N@@H+]1CC[C@H](Oc2cnccn2)C1 ZINC001209733711 803627488 /nfs/dbraw/zinc/62/74/88/803627488.db2.gz SZKJLPQVDYNEMX-LBPRGKRZSA-N 2 2 271.324 0.937 20 0 CCADLP Nc1cc[nH+]cc1C[N@H+]1CC[C@H](Oc2cnccn2)C1 ZINC001209733711 803627493 /nfs/dbraw/zinc/62/74/93/803627493.db2.gz SZKJLPQVDYNEMX-LBPRGKRZSA-N 2 2 271.324 0.937 20 0 CCADLP CC[C@@H](C[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1)OC ZINC001209835411 803632316 /nfs/dbraw/zinc/63/23/16/803632316.db2.gz APQUAYBZVJMQJF-OCCSQVGLSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H](O)CCC[NH2+][C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001210302448 803647132 /nfs/dbraw/zinc/64/71/32/803647132.db2.gz BZEPHZHVJOOZAP-STQMWFEESA-N 2 2 294.399 0.694 20 0 CCADLP C[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001210724423 803658102 /nfs/dbraw/zinc/65/81/02/803658102.db2.gz UUTIKNZQWCKXFC-DGCLKSJQSA-N 2 2 282.363 0.759 20 0 CCADLP C[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)CCc1c[nH+]cn1C ZINC001210724423 803658107 /nfs/dbraw/zinc/65/81/07/803658107.db2.gz UUTIKNZQWCKXFC-DGCLKSJQSA-N 2 2 282.363 0.759 20 0 CCADLP CC[NH2+]C[C@H](NC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001276694390 803668261 /nfs/dbraw/zinc/66/82/61/803668261.db2.gz CAOYSBAMBUKLDQ-LBPRGKRZSA-N 2 2 250.346 0.765 20 0 CCADLP CCOCC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001214531226 803747918 /nfs/dbraw/zinc/74/79/18/803747918.db2.gz STPPGWXDXRCQEJ-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215680696 803823441 /nfs/dbraw/zinc/82/34/41/803823441.db2.gz JNCXOWBUNKRKST-NQBHXWOUSA-N 2 2 280.372 0.424 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001217005227 803861983 /nfs/dbraw/zinc/86/19/83/803861983.db2.gz HPWPEANSXITGKZ-FRRDWIJNSA-N 2 2 280.372 0.355 20 0 CCADLP C[C@@H]1C[N@@H+](CCc2nnc([C@@H]([NH3+])CCC[NH3+])o2)C[C@H](C)O1 ZINC001217695317 803901609 /nfs/dbraw/zinc/90/16/09/803901609.db2.gz IIEBSVVUALIUKC-TUAOUCFPSA-N 3 2 297.403 0.460 20 0 CCADLP C[C@@H]1C[N@H+](CCc2nnc([C@@H]([NH3+])CCC[NH3+])o2)C[C@H](C)O1 ZINC001217695317 803901613 /nfs/dbraw/zinc/90/16/13/803901613.db2.gz IIEBSVVUALIUKC-TUAOUCFPSA-N 3 2 297.403 0.460 20 0 CCADLP FC1(F)C[NH2+]C[C@H](OC[C@H]2C[C@H]3CC[NH2+]C[C@@H]3O2)C1 ZINC001217856362 803921381 /nfs/dbraw/zinc/92/13/81/803921381.db2.gz PHCQDOMMKUMJKC-KKOKHZNYSA-N 2 2 276.327 0.767 20 0 CCADLP [NH3+]CC(=O)c1ccc(O[C@H]2C[NH2+]CC2(F)F)cc1 ZINC001218236976 803943775 /nfs/dbraw/zinc/94/37/75/803943775.db2.gz KYDKUIOBGBBONW-NSHDSACASA-N 2 2 256.252 0.814 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccncc1C(F)(F)F ZINC001218498494 803963753 /nfs/dbraw/zinc/96/37/53/803963753.db2.gz WAFMXPPQSYEFAR-SECBINFHSA-N 2 2 299.256 0.754 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1ccc(Cl)nn1 ZINC001218508941 803974683 /nfs/dbraw/zinc/97/46/83/803974683.db2.gz NZLRQGYTKWLQJF-UHFFFAOYSA-N 2 2 269.736 0.410 20 0 CCADLP COc1nc(Cl)cc(NC(=O)C2([NH3+])CC[NH2+]CC2)n1 ZINC001218519075 803981775 /nfs/dbraw/zinc/98/17/75/803981775.db2.gz QIJKRBMOCOECTO-UHFFFAOYSA-N 2 2 285.735 0.158 20 0 CCADLP Cn1nc2c(c1NC(=O)C[NH2+]C1CC[NH2+]CC1)CCC2 ZINC001218527421 803987353 /nfs/dbraw/zinc/98/73/53/803987353.db2.gz FNJKLIHNWZGCCN-UHFFFAOYSA-N 2 2 277.372 0.189 20 0 CCADLP COc1nc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc2cccnc21 ZINC001218526212 803987482 /nfs/dbraw/zinc/98/74/82/803987482.db2.gz FKPGQPXZUGLEKQ-UWVGGRQHSA-N 2 2 287.323 0.124 20 0 CCADLP CN(C)c1cc[nH+]cc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001218563373 804006843 /nfs/dbraw/zinc/00/68/43/804006843.db2.gz NXVGJZRFSSZIJX-NSHDSACASA-N 3 2 288.355 0.390 20 0 CCADLP N=c1c(N)c(Cl)ccn1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218566179 804011380 /nfs/dbraw/zinc/01/13/80/804011380.db2.gz CBPUNFFLFFGVQT-UHFFFAOYSA-N 2 2 283.763 0.185 20 0 CCADLP Cc1ncc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc1Br ZINC001218565468 804011946 /nfs/dbraw/zinc/01/19/46/804011946.db2.gz UCECWOGKURWEQU-XCBNKYQSSA-N 2 2 299.172 0.780 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cnn3ccc(Cl)nc23)C1 ZINC001218616411 804036064 /nfs/dbraw/zinc/03/60/64/804036064.db2.gz SMUAQWAFFURFTM-RQJHMYQMSA-N 2 2 280.719 0.010 20 0 CCADLP CCOC(=O)c1cc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cnc1C ZINC001218637707 804051831 /nfs/dbraw/zinc/05/18/31/804051831.db2.gz ZOUPMWRQLUMTOY-SKDRFNHKSA-N 2 2 292.339 0.194 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1c[nH]c2cccnc12 ZINC001218641613 804056675 /nfs/dbraw/zinc/05/66/75/804056675.db2.gz XPVLOSMLFIUSME-VIFPVBQESA-N 2 2 270.296 0.795 20 0 CCADLP CC(=O)Nc1cc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)ccn1 ZINC001218649595 804059332 /nfs/dbraw/zinc/05/93/32/804059332.db2.gz GVCMLCALWYJSHJ-LLVKDONJSA-N 2 2 288.311 0.272 20 0 CCADLP CCOC(=O)c1cc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)c[nH]1 ZINC001218649789 804059913 /nfs/dbraw/zinc/05/99/13/804059913.db2.gz ISKCMBAGALNRNW-RULNRJAQSA-N 2 2 292.339 0.352 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cnc2ccccc2n1 ZINC001218652596 804061904 /nfs/dbraw/zinc/06/19/04/804061904.db2.gz HYFYOLRNSFNJNO-SNVBAGLBSA-N 2 2 282.307 0.861 20 0 CCADLP Cc1c[nH]c(=O)cc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001218652454 804062057 /nfs/dbraw/zinc/06/20/57/804062057.db2.gz XSTCCQYNOSVQGN-JTQLQIEISA-N 2 2 275.312 0.338 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cc(-c3ccncn3)cs2)C1 ZINC001218665337 804072337 /nfs/dbraw/zinc/07/23/37/804072337.db2.gz LDHSKZPTPFVJPI-KOLCDFICSA-N 2 2 289.364 0.833 20 0 CCADLP COc1nc(Cl)ccc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218677713 804076929 /nfs/dbraw/zinc/07/69/29/804076929.db2.gz UPLPPKWAZVVEER-SVRRBLITSA-N 2 2 270.720 0.371 20 0 CCADLP Cc1nnc2cc(NC(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)ccn12 ZINC001218699841 804085767 /nfs/dbraw/zinc/08/57/67/804085767.db2.gz RGOYORQZOJZCDW-GYSYKLTISA-N 2 2 286.339 0.198 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccnn2CC(F)(F)F)C1 ZINC001218751661 804110079 /nfs/dbraw/zinc/11/00/79/804110079.db2.gz NVSKPMGHSGLCOR-RQJHMYQMSA-N 2 2 277.250 0.073 20 0 CCADLP COc1cc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc(OC)c1 ZINC001218810398 804129319 /nfs/dbraw/zinc/12/93/19/804129319.db2.gz UPSUAUIHYJJUIE-PELKAZGASA-N 2 2 265.313 0.332 20 0 CCADLP [NH3+]C1(C(=O)Nc2ccc3n[nH]cc3c2)CC[NH2+]CC1 ZINC001218811249 804130218 /nfs/dbraw/zinc/13/02/18/804130218.db2.gz MHEMPQHYAZKDFR-UHFFFAOYSA-N 2 2 259.313 0.582 20 0 CCADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218812765 804131404 /nfs/dbraw/zinc/13/14/04/804131404.db2.gz ZZIUUDZIOFGBGG-AWEZNQCLSA-N 3 2 297.362 0.620 20 0 CCADLP CN(C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)c1ccccc1N ZINC001218883114 804145594 /nfs/dbraw/zinc/14/55/94/804145594.db2.gz HYAHSTHVKVOVHH-LBPRGKRZSA-N 2 2 273.340 0.535 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccc2ncn(C)c2c1 ZINC001218886402 804148107 /nfs/dbraw/zinc/14/81/07/804148107.db2.gz WWMPHASSGMZDQL-LBPRGKRZSA-N 2 2 298.350 0.815 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1cccc2cnncc21 ZINC001218892219 804149551 /nfs/dbraw/zinc/14/95/51/804149551.db2.gz UAVBYMDRCTWRNX-UHFFFAOYSA-N 2 2 285.351 0.910 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cccc3c2cc[nH]c3=O)C1 ZINC001218902006 804152480 /nfs/dbraw/zinc/15/24/80/804152480.db2.gz SQDNZCXENDTVSR-PELKAZGASA-N 2 2 272.308 0.568 20 0 CCADLP CCc1ccc(NC(=O)C2([NH3+])CC[NH2+]CC2)c(O)c1 ZINC001218949012 804163927 /nfs/dbraw/zinc/16/39/27/804163927.db2.gz QSQUZIGVYPBJAV-UHFFFAOYSA-N 2 2 263.341 0.974 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cc(F)cc2cccnc21 ZINC001218968693 804168756 /nfs/dbraw/zinc/16/87/56/804168756.db2.gz PFJXWCXVKIQOQG-JTQLQIEISA-N 2 2 262.288 0.989 20 0 CCADLP [NH3+]C1(c2ccc(NC(=O)[C@@H]3COCC[NH2+]3)cc2)CCC1 ZINC001218971729 804169480 /nfs/dbraw/zinc/16/94/80/804169480.db2.gz BNMBREGSFNNUBV-ZDUSSCGKSA-N 2 2 275.352 0.951 20 0 CCADLP CC(=O)c1c(F)cccc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218998850 804180586 /nfs/dbraw/zinc/18/05/86/804180586.db2.gz BTZKIBWWSABKEG-KCJUWKMLSA-N 2 2 265.288 0.656 20 0 CCADLP CCC[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000311068204 804231019 /nfs/dbraw/zinc/23/10/19/804231019.db2.gz UKTGXHREBBEEPF-UHFFFAOYSA-N 2 2 250.346 0.874 20 0 CCADLP O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2)C1(F)C[NH2+]C1 ZINC001219538187 804340357 /nfs/dbraw/zinc/34/03/57/804340357.db2.gz WERHOSOONUATST-KCJUWKMLSA-N 2 2 277.299 0.384 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NC[C@H](O)c2ccco2)cc1 ZINC001219603647 804370966 /nfs/dbraw/zinc/37/09/66/804370966.db2.gz BLLAOBCINPOVTJ-STQMWFEESA-N 2 2 289.335 0.702 20 0 CCADLP C[NH2+][C@H](C(=O)NCCc1cn(C)c[nH+]1)[C@@H](C)OC(C)(C)C ZINC001219633686 804382827 /nfs/dbraw/zinc/38/28/27/804382827.db2.gz CERMUASMVQTTDW-YPMHNXCESA-N 2 2 296.415 0.870 20 0 CCADLP CCCCC[C@H]([NH2+]C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC001219694297 804406002 /nfs/dbraw/zinc/40/60/02/804406002.db2.gz ISGLRYMWQXKGAH-STQMWFEESA-N 2 2 271.405 0.602 20 0 CCADLP CCCCC[C@H]([NH2+]C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC001219694297 804406005 /nfs/dbraw/zinc/40/60/05/804406005.db2.gz ISGLRYMWQXKGAH-STQMWFEESA-N 2 2 271.405 0.602 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)c2ccccc2C[NH3+])C1 ZINC001219695149 804407042 /nfs/dbraw/zinc/40/70/42/804407042.db2.gz QKKWDBLGPDJBPA-GFCCVEGCSA-N 2 2 263.341 0.206 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)c2ccccc2C[NH3+])C1 ZINC001219695149 804407046 /nfs/dbraw/zinc/40/70/46/804407046.db2.gz QKKWDBLGPDJBPA-GFCCVEGCSA-N 2 2 263.341 0.206 20 0 CCADLP C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)c1nc2ccccc2[nH]1 ZINC001219700717 804408209 /nfs/dbraw/zinc/40/82/09/804408209.db2.gz BSNKDHUHSJDCNW-USBNGQNGSA-N 2 2 299.378 0.692 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)c1nc2ccccc2[nH]1 ZINC001219700787 804408274 /nfs/dbraw/zinc/40/82/74/804408274.db2.gz DLGKGPVGXVUTKY-XXSPCDMZSA-N 2 2 299.378 0.690 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1cccc(C(F)F)c1 ZINC001219741220 804416491 /nfs/dbraw/zinc/41/64/91/804416491.db2.gz DFDJQCLOBLNDCA-QWRGUYRKSA-N 2 2 269.295 0.787 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1ccc(OC(F)F)cc1 ZINC001219915946 804446847 /nfs/dbraw/zinc/44/68/47/804446847.db2.gz FDQVMNKQWCWTEO-QWRGUYRKSA-N 2 2 285.294 0.451 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+]C1CCCCC1 ZINC001219951800 804456324 /nfs/dbraw/zinc/45/63/24/804456324.db2.gz CCZWVUJBZHRLIG-CQSZACIVSA-N 3 2 293.415 0.708 20 0 CCADLP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001219978168 804463250 /nfs/dbraw/zinc/46/32/50/804463250.db2.gz FPSRPYQHNRWXBM-AAEUAGOBSA-N 3 2 279.388 0.128 20 0 CCADLP C[N@H+]1CCC[C@@H](CCNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001219978168 804463254 /nfs/dbraw/zinc/46/32/54/804463254.db2.gz FPSRPYQHNRWXBM-AAEUAGOBSA-N 3 2 279.388 0.128 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NCc2cncnc2)cc1 ZINC001220007858 804469820 /nfs/dbraw/zinc/46/98/20/804469820.db2.gz ZKXWIIJLIUQTKG-CYBMUJFWSA-N 2 2 271.324 0.365 20 0 CCADLP O=C(NCc1cnc2[nH]ccc2c1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220013289 804471355 /nfs/dbraw/zinc/47/13/55/804471355.db2.gz PIYKODZSZPIVKR-RWMBFGLXSA-N 2 2 285.351 0.129 20 0 CCADLP Cc1cccc(C[C@H]2C[NH2+][C@H](C(=O)NC3C[NH+](C)C3)C2)c1 ZINC001220013316 804471561 /nfs/dbraw/zinc/47/15/61/804471561.db2.gz QRUSKUYQTNBPOA-ZBFHGGJFSA-N 2 2 287.407 0.946 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NCc2cccnn2)cc1 ZINC001220018501 804473527 /nfs/dbraw/zinc/47/35/27/804473527.db2.gz GNRCYULBZRZNBL-ZDUSSCGKSA-N 2 2 271.324 0.365 20 0 CCADLP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220062359 804491139 /nfs/dbraw/zinc/49/11/39/804491139.db2.gz VYZIYLVONJFJOI-FMKPAKJESA-N 3 2 294.443 0.319 20 0 CCADLP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220062359 804491142 /nfs/dbraw/zinc/49/11/42/804491142.db2.gz VYZIYLVONJFJOI-FMKPAKJESA-N 3 2 294.443 0.319 20 0 CCADLP O=C(NCc1ccc2c(c1)CCO2)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220067339 804493440 /nfs/dbraw/zinc/49/34/40/804493440.db2.gz KEFIRWBHCJJNRJ-CJNGLKHVSA-N 2 2 287.363 0.189 20 0 CCADLP CC(C)CC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220106115 804500592 /nfs/dbraw/zinc/50/05/92/804500592.db2.gz ZMFFEEFVJJEWKF-KGLIPLIRSA-N 2 2 294.399 0.481 20 0 CCADLP CC(C)CC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220106115 804500597 /nfs/dbraw/zinc/50/05/97/804500597.db2.gz ZMFFEEFVJJEWKF-KGLIPLIRSA-N 2 2 294.399 0.481 20 0 CCADLP O=C(NC1(c2ccccn2)CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220137128 804509169 /nfs/dbraw/zinc/50/91/69/804509169.db2.gz SDPMDJVRHVSGKX-ABAIWWIYSA-N 2 2 272.352 0.138 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@H]1C[C@H](F)C1 ZINC001220145794 804513180 /nfs/dbraw/zinc/51/31/80/804513180.db2.gz QHGVBKKBJNLLNL-QXEWZRGKSA-N 2 2 254.309 0.154 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220158645 804521469 /nfs/dbraw/zinc/52/14/69/804521469.db2.gz CQPGEESXKXDSCW-LNSITVRQSA-N 3 2 291.399 0.318 20 0 CCADLP COC1CCC(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001220221175 804540934 /nfs/dbraw/zinc/54/09/34/804540934.db2.gz UEJXBKOEGQFPNK-NHNAUAITSA-N 2 2 266.345 0.353 20 0 CCADLP [NH3+]C1(C(=O)N[C@@H]2CCCc3cccnc32)CC[NH2+]CC1 ZINC001220225622 804542080 /nfs/dbraw/zinc/54/20/80/804542080.db2.gz IZXFNCNYPWULSS-GFCCVEGCSA-N 2 2 274.368 0.656 20 0 CCADLP C[C@H](CCCC(C)(C)O)NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220243693 804546821 /nfs/dbraw/zinc/54/68/21/804546821.db2.gz WOHHTRNMNUVIGS-LALPHHSUSA-N 2 2 283.416 0.384 20 0 CCADLP Cc1cccnc1[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C1CC1 ZINC001220257367 804553175 /nfs/dbraw/zinc/55/31/75/804553175.db2.gz WNMOMHOPSGAYCJ-SGMGOOAPSA-N 2 2 274.368 0.504 20 0 CCADLP [NH3+]C1(C(=O)NC[C@@H](O)C2CCCCC2)CC[NH2+]CC1 ZINC001220466627 804610059 /nfs/dbraw/zinc/61/00/59/804610059.db2.gz GPEBNSKQODXQIL-GFCCVEGCSA-N 2 2 269.389 0.125 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NCC2([NH3+])CCCC2)cc1 ZINC001220499299 804616996 /nfs/dbraw/zinc/61/69/96/804616996.db2.gz WEHHZMIGZZZTNQ-ZDUSSCGKSA-N 3 2 276.384 0.646 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@H]1CNc2ccccc2C1 ZINC001220599080 804635998 /nfs/dbraw/zinc/63/59/98/804635998.db2.gz LCVAYDBMDJDJKK-OCCSQVGLSA-N 2 2 299.378 0.443 20 0 CCADLP CCCC[C@](CC)(NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C(=O)OCC ZINC001220638892 804640816 /nfs/dbraw/zinc/64/08/16/804640816.db2.gz ZCZFVYWRMMBLGT-HUBLWGQQSA-N 2 2 299.415 0.551 20 0 CCADLP O=C(NCc1ccc2ocnc2c1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220678716 804647347 /nfs/dbraw/zinc/64/73/47/804647347.db2.gz JNANTHTZDYKTPJ-ABAIWWIYSA-N 2 2 286.335 0.396 20 0 CCADLP [NH3+]C1(C(=O)NCCCOc2cccc(F)c2)CC[NH2+]CC1 ZINC001220685065 804648611 /nfs/dbraw/zinc/64/86/11/804648611.db2.gz MEUZBGHZYDFAJT-UHFFFAOYSA-N 2 2 295.358 0.792 20 0 CCADLP CC(=O)NC[C@@H](C)CNC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220756316 804661029 /nfs/dbraw/zinc/66/10/29/804661029.db2.gz AWWGJJTVIKPDMB-YGRLFVJLSA-N 2 2 292.383 0.147 20 0 CCADLP CC(C)(C)[C@H](C[NH3+])NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220862070 804682564 /nfs/dbraw/zinc/68/25/64/804682564.db2.gz OGOLFGLVULGTHE-OLZOCXBDSA-N 3 2 278.400 0.748 20 0 CCADLP CC1(C)C[C@H](CNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CCO1 ZINC001220952879 804706181 /nfs/dbraw/zinc/70/61/81/804706181.db2.gz GZYNDEGHLSFEIW-TYNCELHUSA-N 2 2 281.400 0.259 20 0 CCADLP COC[C@H](NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)C1CC1 ZINC001221012816 804719190 /nfs/dbraw/zinc/71/91/90/804719190.db2.gz CEBMDZLIPVJCOU-KGLIPLIRSA-N 2 2 277.368 0.800 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC1(CC2CC2)CC1 ZINC001221213402 804747703 /nfs/dbraw/zinc/74/77/03/804747703.db2.gz ZIPIWXLZTLKQAR-LBPRGKRZSA-N 2 2 262.357 0.739 20 0 CCADLP C[N@@H+]1CCC[C@](C)(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)C1 ZINC001221243999 804755032 /nfs/dbraw/zinc/75/50/32/804755032.db2.gz ODYIAHJSJMULGJ-ZBFHGGJFSA-N 3 2 290.411 0.859 20 0 CCADLP C[N@H+]1CCC[C@](C)(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)C1 ZINC001221243999 804755035 /nfs/dbraw/zinc/75/50/35/804755035.db2.gz ODYIAHJSJMULGJ-ZBFHGGJFSA-N 3 2 290.411 0.859 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1CCCc2cnccc21 ZINC001221292529 804768384 /nfs/dbraw/zinc/76/83/84/804768384.db2.gz NWPYSDUPPZQMJR-RWMBFGLXSA-N 2 2 260.341 0.122 20 0 CCADLP Cn1ncc2c1cccc2CNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001221306775 804773087 /nfs/dbraw/zinc/77/30/87/804773087.db2.gz YTXRHWWQAOPOLR-FPMFFAJLSA-N 2 2 299.378 0.139 20 0 CCADLP [NH3+]CCCCNC(=O)C[C@@H]([NH3+])C(=O)OCc1ccccc1 ZINC001221344631 804782682 /nfs/dbraw/zinc/78/26/82/804782682.db2.gz BFWNBUMJBRBEDS-CYBMUJFWSA-N 2 2 293.367 0.302 20 0 CCADLP CCCC(C[NH3+])(CCC)NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001221372388 804791050 /nfs/dbraw/zinc/79/10/50/804791050.db2.gz MJSODGUVAVACLM-RWMBFGLXSA-N 3 2 282.432 0.350 20 0 CCADLP COCC[NH2+][C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001222091903 804865990 /nfs/dbraw/zinc/86/59/90/804865990.db2.gz CJOCLZALHWMLFR-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001222098884 804868404 /nfs/dbraw/zinc/86/84/04/804868404.db2.gz OYLVRUCWGYYYDK-ZIAGYGMSSA-N 2 2 292.383 0.452 20 0 CCADLP CCOCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001222098884 804868412 /nfs/dbraw/zinc/86/84/12/804868412.db2.gz OYLVRUCWGYYYDK-ZIAGYGMSSA-N 2 2 292.383 0.452 20 0 CCADLP COCOCCCN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222491551 804904986 /nfs/dbraw/zinc/90/49/86/804904986.db2.gz DVQBECDJUBZAOE-STQMWFEESA-N 2 2 257.378 0.023 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OC2CC[NH+](C)CC2)C[N@@H+]1C ZINC001222504794 804908609 /nfs/dbraw/zinc/90/86/09/804908609.db2.gz ZXMRCPZPZJUMKN-NEPJUHHUSA-N 2 2 256.346 0.343 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OC2CC[NH+](C)CC2)C[N@H+]1C ZINC001222504794 804908616 /nfs/dbraw/zinc/90/86/16/804908616.db2.gz ZXMRCPZPZJUMKN-NEPJUHHUSA-N 2 2 256.346 0.343 20 0 CCADLP CCOCC[N@@H+]1CC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001276892661 804973605 /nfs/dbraw/zinc/97/36/05/804973605.db2.gz SMQFSMSTCPYTCO-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP CCOCC[N@H+]1CC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001276892661 804973609 /nfs/dbraw/zinc/97/36/09/804973609.db2.gz SMQFSMSTCPYTCO-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP COCC[NH+]1CCC(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001225167810 805112165 /nfs/dbraw/zinc/11/21/65/805112165.db2.gz CBPJRXWSAURDSP-UHFFFAOYSA-N 2 2 294.399 0.437 20 0 CCADLP COCCC[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001225665680 805149186 /nfs/dbraw/zinc/14/91/86/805149186.db2.gz USFSZCGVWGSMKO-UHFFFAOYSA-N 2 2 294.399 0.748 20 0 CCADLP COCCC[NH2+]C1(CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001277233170 805382459 /nfs/dbraw/zinc/38/24/59/805382459.db2.gz DTAXROVJGMDIEK-UHFFFAOYSA-N 2 2 280.372 0.536 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1[NH2+]CCCO ZINC001227848172 805397594 /nfs/dbraw/zinc/39/75/94/805397594.db2.gz ISJFXYMWXUBJCS-ZIAGYGMSSA-N 2 2 294.399 0.673 20 0 CCADLP Cc1nonc1C[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001228992099 805494419 /nfs/dbraw/zinc/49/44/19/805494419.db2.gz NJQMUOJFNYUKQX-UHFFFAOYSA-N 2 2 295.387 0.410 20 0 CCADLP CC(C)[NH+]1CC(Nc2cc[nH+]c(N3CCC([NH3+])CC3)n2)C1 ZINC001168313128 815088390 /nfs/dbraw/zinc/08/83/90/815088390.db2.gz JMJWYEXOVUOYCR-UHFFFAOYSA-N 3 2 290.415 0.909 20 0 CCADLP OCCc1ccc(OC[C@H](O)C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC001246014909 807115881 /nfs/dbraw/zinc/11/58/81/807115881.db2.gz UIPNEGCNVMDYSB-OAHLLOKOSA-N 2 2 294.395 0.256 20 0 CCADLP OCCc1ccc(OC[C@H](O)C[N@H+]2CCC[NH2+]CC2)cc1 ZINC001246014909 807115886 /nfs/dbraw/zinc/11/58/86/807115886.db2.gz UIPNEGCNVMDYSB-OAHLLOKOSA-N 2 2 294.395 0.256 20 0 CCADLP C[C@]1([NH3+])CC[N@H+](C[C@H](O)COCc2ccco2)C1 ZINC001246015840 807116853 /nfs/dbraw/zinc/11/68/53/807116853.db2.gz XZWMVMVQOBYCFX-AAEUAGOBSA-N 2 2 254.330 0.580 20 0 CCADLP C[C@]1([NH3+])CC[N@@H+](C[C@H](O)COCc2ccco2)C1 ZINC001246015840 807116857 /nfs/dbraw/zinc/11/68/57/807116857.db2.gz XZWMVMVQOBYCFX-AAEUAGOBSA-N 2 2 254.330 0.580 20 0 CCADLP C[C@@H]1[C@H](C[NH3+])CCC[N@@H+]1C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001246021693 807119859 /nfs/dbraw/zinc/11/98/59/807119859.db2.gz LNOYMYGMMDQPTG-BSWAZPDLSA-N 3 2 291.439 0.977 20 0 CCADLP C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001246021693 807119863 /nfs/dbraw/zinc/11/98/63/807119863.db2.gz LNOYMYGMMDQPTG-BSWAZPDLSA-N 3 2 291.439 0.977 20 0 CCADLP [NH3+]C[C@@H]([NH2+]CC1(O)CCOCC1)c1ccccc1 ZINC001246020256 807120358 /nfs/dbraw/zinc/12/03/58/807120358.db2.gz NKPWRELMFOVAMG-CYBMUJFWSA-N 2 2 250.342 0.818 20 0 CCADLP CCCC[C@H](O)CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001246021850 807121007 /nfs/dbraw/zinc/12/10/07/807121007.db2.gz IDSUCZOEYGALTD-IHRRRGAJSA-N 2 2 255.406 0.563 20 0 CCADLP COc1cccc([C@@H](O)C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1 ZINC001246030781 807126713 /nfs/dbraw/zinc/12/67/13/807126713.db2.gz YWSFDBQMAHVHKJ-JKSUJKDBSA-N 2 2 291.395 0.366 20 0 CCADLP COc1cccc([C@@H](O)C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1 ZINC001246030781 807126721 /nfs/dbraw/zinc/12/67/21/807126721.db2.gz YWSFDBQMAHVHKJ-JKSUJKDBSA-N 2 2 291.395 0.366 20 0 CCADLP [NH3+]C[C@H]1CCC[N@@H+]1C[C@H](O)COCc1ccco1 ZINC001246065455 807139055 /nfs/dbraw/zinc/13/90/55/807139055.db2.gz OXFXEAQWGHCNFJ-NEPJUHHUSA-N 2 2 254.330 0.580 20 0 CCADLP [NH3+]C[C@H]1CCC[N@H+]1C[C@H](O)COCc1ccco1 ZINC001246065455 807139056 /nfs/dbraw/zinc/13/90/56/807139056.db2.gz OXFXEAQWGHCNFJ-NEPJUHHUSA-N 2 2 254.330 0.580 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N(C)c2nc(C[NH3+])ccc2C)C[NH2+]1 ZINC001246088466 807149389 /nfs/dbraw/zinc/14/93/89/807149389.db2.gz JZDZKHPQZGWACZ-RYUDHWBXSA-N 2 2 278.356 0.188 20 0 CCADLP COC(=O)N1CCC([NH2+][C@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001246096855 807152271 /nfs/dbraw/zinc/15/22/71/807152271.db2.gz NCZWZLQBSKWJDX-MNOVXSKESA-N 2 2 259.325 0.507 20 0 CCADLP COC(=O)[C@H]1C[C@H](NCC[NH2+]Cc2ccccc2)C[NH2+]1 ZINC001246165317 807173877 /nfs/dbraw/zinc/17/38/77/807173877.db2.gz GPVNFAZFSXASSH-UONOGXRCSA-N 2 2 277.368 0.269 20 0 CCADLP CC[C@@]1(C(=O)OC)C[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])C[NH2+]1 ZINC001246175770 807176889 /nfs/dbraw/zinc/17/68/89/807176889.db2.gz MVRJHMZABYBHGL-BYNQJWBRSA-N 2 2 269.389 0.530 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@H](NC[C@@H]2CCCC[NH2+]2)C[NH2+]1 ZINC001246179317 807178256 /nfs/dbraw/zinc/17/82/56/807178256.db2.gz LIQKQIVUHVPACL-AVGNSLFASA-N 2 2 283.416 0.790 20 0 CCADLP CCOC(=O)[C@H](CC(C)C)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246183174 807179328 /nfs/dbraw/zinc/17/93/28/807179328.db2.gz FIFGZQKQNWBUBZ-STQMWFEESA-N 2 2 283.416 0.648 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@H](NC[C@@H]2CCC[NH2+]2)C[NH2+]1 ZINC001246195324 807182601 /nfs/dbraw/zinc/18/26/01/807182601.db2.gz RGBMHGDPTHKIDD-SRVKXCTJSA-N 2 2 269.389 0.400 20 0 CCADLP CC[C@@H]1CC([NH2+]C[C@@]2(O)CCC[NH2+]C2)C[C@@H](CC)[NH2+]1 ZINC001246225070 807191919 /nfs/dbraw/zinc/19/19/19/807191919.db2.gz APNAAPDMUKKXPB-UMVBOHGHSA-N 3 2 269.433 1.000 20 0 CCADLP COc1cccc(C[C@@H](CO)[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC001246273807 807204918 /nfs/dbraw/zinc/20/49/18/807204918.db2.gz WBZQPUCGFCYGBG-KBPBESRZSA-N 2 2 264.369 0.940 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](NC[C@@H]2Cc3ccccc3C[NH2+]2)C[NH2+]1 ZINC001246283532 807207612 /nfs/dbraw/zinc/20/76/12/807207612.db2.gz WQVQFYAXCZJWES-ZNMIVQPWSA-N 2 2 289.379 0.194 20 0 CCADLP CN(C)C(=O)N1CCC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC001246325595 807222597 /nfs/dbraw/zinc/22/25/97/807222597.db2.gz CBXKDIRFHSWVGM-NEPJUHHUSA-N 2 2 254.378 0.474 20 0 CCADLP C[C@H]1[NH2+]CCC[C@@H]1N[C@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246334457 807225289 /nfs/dbraw/zinc/22/52/89/807225289.db2.gz ZITICUGRGWYORZ-NDBYEHHHSA-N 2 2 283.416 0.789 20 0 CCADLP CC(C)(C)C(=O)N1CC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC001246363835 807234868 /nfs/dbraw/zinc/23/48/68/807234868.db2.gz ZHCWSIKYFVZZSU-NWDGAFQWSA-N 2 2 253.390 0.975 20 0 CCADLP c1cn2cc(C[NH2+][C@@H]3CCNC4(C[NH2+]C4)C3)ccc2[nH+]1 ZINC001246493449 807264472 /nfs/dbraw/zinc/26/44/72/807264472.db2.gz GWVZWWGGDAXPAE-CYBMUJFWSA-N 3 2 271.368 0.518 20 0 CCADLP OC[C@@H]1CCC(F)(F)C[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246549348 807282803 /nfs/dbraw/zinc/28/28/03/807282803.db2.gz MDYRXVHEWOOJDE-QWRGUYRKSA-N 2 2 275.343 0.172 20 0 CCADLP OC[C@@H]1CCC(F)(F)C[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246549348 807282804 /nfs/dbraw/zinc/28/28/04/807282804.db2.gz MDYRXVHEWOOJDE-QWRGUYRKSA-N 2 2 275.343 0.172 20 0 CCADLP CC[NH+](CC)C1CCC([N@@H+]2C[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246553902 807283759 /nfs/dbraw/zinc/28/37/59/807283759.db2.gz AHDNUXCAAIXZBG-NWINJMCUSA-N 3 2 255.406 0.643 20 0 CCADLP CC[NH+](CC)C1CCC([N@H+]2C[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246553902 807283763 /nfs/dbraw/zinc/28/37/63/807283763.db2.gz AHDNUXCAAIXZBG-NWINJMCUSA-N 3 2 255.406 0.643 20 0 CCADLP CC(=O)N1CC[C@@H]([N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)C1 ZINC001246561196 807290134 /nfs/dbraw/zinc/29/01/34/807290134.db2.gz VXNRIRHWDCJENK-WDEREUQCSA-N 2 2 261.316 0.523 20 0 CCADLP CC(=O)N1CC[C@@H]([N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)C1 ZINC001246561196 807290137 /nfs/dbraw/zinc/29/01/37/807290137.db2.gz VXNRIRHWDCJENK-WDEREUQCSA-N 2 2 261.316 0.523 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+]([C@H]2COc3ccc(Cl)cc3C2)C[C@H]1O ZINC001246587629 807308421 /nfs/dbraw/zinc/30/84/21/807308421.db2.gz VHOLGZWUHRSCGC-CYZMBNFOSA-N 2 2 282.771 0.895 20 0 CCADLP [NH3+]C[C@H]1C[N@H+]([C@H]2COc3ccc(Cl)cc3C2)C[C@H]1O ZINC001246587629 807308427 /nfs/dbraw/zinc/30/84/27/807308427.db2.gz VHOLGZWUHRSCGC-CYZMBNFOSA-N 2 2 282.771 0.895 20 0 CCADLP CC[N@@H+]1CC[C@@H](N2CC[NH2+]C3(CC[NH2+]CC3)C2)C1 ZINC001246595371 807315737 /nfs/dbraw/zinc/31/57/37/807315737.db2.gz MNWNOFAAMXWSHV-CYBMUJFWSA-N 3 2 252.406 0.108 20 0 CCADLP CC[N@H+]1CC[C@@H](N2CC[NH2+]C3(CC[NH2+]CC3)C2)C1 ZINC001246595371 807315746 /nfs/dbraw/zinc/31/57/46/807315746.db2.gz MNWNOFAAMXWSHV-CYBMUJFWSA-N 3 2 252.406 0.108 20 0 CCADLP CCOC(=O)[C@@H]1C[C@@H]([N@@H+]2CCC[C@@]23CCC[NH2+]C3)CCN1 ZINC001246609734 807321489 /nfs/dbraw/zinc/32/14/89/807321489.db2.gz MYBLMUIPFZHWAZ-OFQRWUPVSA-N 2 2 295.427 0.888 20 0 CCADLP CCOC(=O)[C@@H]1C[C@@H]([N@H+]2CCC[C@@]23CCC[NH2+]C3)CCN1 ZINC001246609734 807321496 /nfs/dbraw/zinc/32/14/96/807321496.db2.gz MYBLMUIPFZHWAZ-OFQRWUPVSA-N 2 2 295.427 0.888 20 0 CCADLP CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)CO1 ZINC001246638524 807341036 /nfs/dbraw/zinc/34/10/36/807341036.db2.gz MDNKWMFBVMOKSQ-FDYHWXHSSA-N 2 2 268.357 0.533 20 0 CCADLP CCOC(=O)[C@H]1CC[C@@H]([N@H+]2CC[C@H]3[NH2+]CC[C@H]32)CO1 ZINC001246638524 807341043 /nfs/dbraw/zinc/34/10/43/807341043.db2.gz MDNKWMFBVMOKSQ-FDYHWXHSSA-N 2 2 268.357 0.533 20 0 CCADLP COCC[N@H+](C1CC[NH+](C)CC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246782974 807376221 /nfs/dbraw/zinc/37/62/21/807376221.db2.gz YUOXJKCHUUQBMU-HNNXBMFYSA-N 3 2 296.459 0.123 20 0 CCADLP COCC[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246782974 807376228 /nfs/dbraw/zinc/37/62/28/807376228.db2.gz YUOXJKCHUUQBMU-HNNXBMFYSA-N 3 2 296.459 0.123 20 0 CCADLP CCN(CC[NH+]1CCOCC1)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246839433 807402040 /nfs/dbraw/zinc/40/20/40/807402040.db2.gz BFMVCSHTGZVKEI-UONOGXRCSA-N 2 2 255.406 0.781 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]2C[NH3+])CO1 ZINC001246917686 807429021 /nfs/dbraw/zinc/42/90/21/807429021.db2.gz SCDDWWGSIJNQGK-WOPDTQHZSA-N 2 2 256.346 0.520 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]2C[NH3+])CO1 ZINC001246917686 807429024 /nfs/dbraw/zinc/42/90/24/807429024.db2.gz SCDDWWGSIJNQGK-WOPDTQHZSA-N 2 2 256.346 0.520 20 0 CCADLP C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)CC[NH2+]1 ZINC001246956613 807440882 /nfs/dbraw/zinc/44/08/82/807440882.db2.gz ZJKUKXFBSNCIIJ-MCIONIFRSA-N 3 2 282.432 0.269 20 0 CCADLP C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)CC[NH2+]1 ZINC001246956613 807440884 /nfs/dbraw/zinc/44/08/84/807440884.db2.gz ZJKUKXFBSNCIIJ-MCIONIFRSA-N 3 2 282.432 0.269 20 0 CCADLP CN1C(=O)CCC12CC[NH+]([C@@H]1CCC[NH2+]C1)CC2 ZINC001246970567 807442296 /nfs/dbraw/zinc/44/22/96/807442296.db2.gz ACFWKSMXFFKLJN-GFCCVEGCSA-N 2 2 251.374 0.825 20 0 CCADLP C1[NH2+]CC12C[C@@H]([N@@H+]1CC[C@H]3[NH2+]CCC[C@@H]3C1)CCN2 ZINC001247016360 807453537 /nfs/dbraw/zinc/45/35/37/807453537.db2.gz UHDAXQCWRSNJDS-HZSPNIEDSA-N 3 2 264.417 0.154 20 0 CCADLP C1[NH2+]CC12C[C@@H]([N@H+]1CC[C@H]3[NH2+]CCC[C@@H]3C1)CCN2 ZINC001247016360 807453540 /nfs/dbraw/zinc/45/35/40/807453540.db2.gz UHDAXQCWRSNJDS-HZSPNIEDSA-N 3 2 264.417 0.154 20 0 CCADLP C[C@H]([NH3+])c1nc2cc(C(=O)N3CC[NH+](C)CC3)ccc2[nH]1 ZINC001247017184 807454673 /nfs/dbraw/zinc/45/46/73/807454673.db2.gz FWWRQZUTGYMICO-JTQLQIEISA-N 2 2 287.367 0.970 20 0 CCADLP C[NH+]1CCN(C(=O)c2ccc3[nH]c(C[NH3+])nc3c2)CC1 ZINC001247017303 807454787 /nfs/dbraw/zinc/45/47/87/807454787.db2.gz HRZQFRDQTDHIEG-UHFFFAOYSA-N 2 2 273.340 0.409 20 0 CCADLP Cn1c(C[NH+]2CCN(CC[NH+](C)C)CC2)cccc1=O ZINC001248805299 807524756 /nfs/dbraw/zinc/52/47/56/807524756.db2.gz PJOIIHKCVAZXAV-UHFFFAOYSA-N 2 2 278.400 0.065 20 0 CCADLP C[C@H](O)[C@H]([NH3+])c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001249074337 807539109 /nfs/dbraw/zinc/53/91/09/807539109.db2.gz SDGXJXGWVLDTEG-CPCISQLKSA-N 2 2 275.312 0.158 20 0 CCADLP COc1c(F)c(F)ccc1-c1noc(C[C@@H]([NH3+])C[NH3+])n1 ZINC001249129337 807544300 /nfs/dbraw/zinc/54/43/00/807544300.db2.gz LCLAUPHMUMNEIB-ZCFIWIBFSA-N 2 2 284.266 0.852 20 0 CCADLP C[NH+]1CC(C[NH2+]C[C@H](O)COc2cccc(F)c2)C1 ZINC001250832749 807618895 /nfs/dbraw/zinc/61/88/95/807618895.db2.gz ZSGZPOOVNOHKLI-ZDUSSCGKSA-N 2 2 268.332 0.717 20 0 CCADLP COc1cc(NC[C@H](O)C[NH+]2CCOCC2)[nH+]cc1C ZINC001251012150 807641456 /nfs/dbraw/zinc/64/14/56/807641456.db2.gz RAHBYYNYWGETHU-LBPRGKRZSA-N 2 2 281.356 0.504 20 0 CCADLP COC(=O)[C@H](O)C[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001252442567 807859020 /nfs/dbraw/zinc/85/90/20/807859020.db2.gz VBQUNLYSBBJBMQ-CYBMUJFWSA-N 2 2 293.367 0.422 20 0 CCADLP O=C1C[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CO1 ZINC001252946046 807988268 /nfs/dbraw/zinc/98/82/68/807988268.db2.gz MWDSUAUGYVFRHY-ZBFHGGJFSA-N 2 2 290.363 0.529 20 0 CCADLP O=C1C[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CO1 ZINC001252946046 807988272 /nfs/dbraw/zinc/98/82/72/807988272.db2.gz MWDSUAUGYVFRHY-ZBFHGGJFSA-N 2 2 290.363 0.529 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC(N2CC(F)C2)CC1 ZINC001253187452 808023403 /nfs/dbraw/zinc/02/34/03/808023403.db2.gz DZSJZVXPPXLMBJ-OAHLLOKOSA-N 2 2 287.423 0.807 20 0 CCADLP CC[NH+](CC)C[C@@H](O)CNC1CC[NH+](CCF)CC1 ZINC001253211202 808033731 /nfs/dbraw/zinc/03/37/31/808033731.db2.gz UAIYVOFFPCJGPK-AWEZNQCLSA-N 2 2 275.412 0.713 20 0 CCADLP COc1ccc(C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)cn1 ZINC001253404614 808058287 /nfs/dbraw/zinc/05/82/87/808058287.db2.gz AHBODBDBCBTENU-LBPRGKRZSA-N 2 2 267.373 0.929 20 0 CCADLP C[NH+]1CCC([NH2+]C[C@@H](O)C(=O)OC(C)(C)C)CC1 ZINC001253665570 808105258 /nfs/dbraw/zinc/10/52/58/808105258.db2.gz HVTMSMYJTZEBGI-LLVKDONJSA-N 2 2 258.362 0.373 20 0 CCADLP CCC[NH+]1C[C@@H]2C[NH+](C[C@H](O)C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001253689109 808116826 /nfs/dbraw/zinc/11/68/26/808116826.db2.gz QDFKKMRLFQNNCF-MCIONIFRSA-N 2 2 298.427 0.963 20 0 CCADLP c1cn2c(cccc2-c2cn(CC3C[NH2+]C3)nn2)[nH+]1 ZINC001254061246 808173157 /nfs/dbraw/zinc/17/31/57/808173157.db2.gz HVFDXSGZXLLBGI-UHFFFAOYSA-N 2 2 254.297 0.812 20 0 CCADLP C[N@H+](CC(=O)N1CCOCC1)[C@@H]1CCC[NH+](C)CC1 ZINC001254517776 808250257 /nfs/dbraw/zinc/25/02/57/808250257.db2.gz YQRATIATQNIJOX-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP C[N@@H+](CC(=O)N1CCOCC1)[C@@H]1CCC[NH+](C)CC1 ZINC001254517776 808250261 /nfs/dbraw/zinc/25/02/61/808250261.db2.gz YQRATIATQNIJOX-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP C[NH+](CC(=O)N1CCOCC1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254517776 808250264 /nfs/dbraw/zinc/25/02/64/808250264.db2.gz YQRATIATQNIJOX-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP C[NH+](CC(=O)N1CCOCC1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254517776 808250266 /nfs/dbraw/zinc/25/02/66/808250266.db2.gz YQRATIATQNIJOX-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP CCOC(=O)C1=C(O)CC[N@@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254519927 808253515 /nfs/dbraw/zinc/25/35/15/808253515.db2.gz LIHXHIXMYDYUMG-CHWSQXEVSA-N 2 2 282.384 0.925 20 0 CCADLP CCOC(=O)C1=C(O)CC[N@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254519927 808253520 /nfs/dbraw/zinc/25/35/20/808253520.db2.gz LIHXHIXMYDYUMG-CHWSQXEVSA-N 2 2 282.384 0.925 20 0 CCADLP CCOC(=O)C1=C(O)CC[NH+]([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254519927 808253524 /nfs/dbraw/zinc/25/35/24/808253524.db2.gz LIHXHIXMYDYUMG-CHWSQXEVSA-N 2 2 282.384 0.925 20 0 CCADLP CCOC(=O)C1=C(O)CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254519927 808253528 /nfs/dbraw/zinc/25/35/28/808253528.db2.gz LIHXHIXMYDYUMG-CHWSQXEVSA-N 2 2 282.384 0.925 20 0 CCADLP C[C@H](CC(=O)N(C)C[C@@H](O)C[NH2+]CCF)n1cc[nH+]c1 ZINC001278810247 808278997 /nfs/dbraw/zinc/27/89/97/808278997.db2.gz LDXRCGWTPKWMKP-NEPJUHHUSA-N 2 2 286.351 0.213 20 0 CCADLP C[C@@H](F)CC[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001278811198 808279376 /nfs/dbraw/zinc/27/93/76/808279376.db2.gz RCLRXTWRQDRHBZ-ZYHUDNBSSA-N 2 2 286.351 0.109 20 0 CCADLP O=C1NCC[C@]12CC[N@@H+]([C@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254855606 808288764 /nfs/dbraw/zinc/28/87/64/808288764.db2.gz PDCCFVQLWXICPZ-DZGCQCFKSA-N 2 2 263.385 0.683 20 0 CCADLP O=C1NCC[C@]12CC[N@H+]([C@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254855606 808288770 /nfs/dbraw/zinc/28/87/70/808288770.db2.gz PDCCFVQLWXICPZ-DZGCQCFKSA-N 2 2 263.385 0.683 20 0 CCADLP C[NH+]1CCN(C2C[NH+](C3C[C@H]4CC(=O)C[C@@H]4C3)C2)CC1 ZINC001254965681 808304020 /nfs/dbraw/zinc/30/40/20/808304020.db2.gz ZNBMFQBHUSCICN-STQMWFEESA-N 2 2 277.412 0.676 20 0 CCADLP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([N@H+](CC[NH3+])CCO)C2 ZINC001255189960 808328325 /nfs/dbraw/zinc/32/83/25/808328325.db2.gz ZXLOXQKNVYFKMM-CLLJXQQHSA-N 2 2 285.388 0.391 20 0 CCADLP C[C@@H]1C(=O)NCC[N@@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255680544 808423245 /nfs/dbraw/zinc/42/32/45/808423245.db2.gz ZGQCANJTFBBARE-FKJOKYEKSA-N 2 2 251.374 0.822 20 0 CCADLP C[C@@H]1C(=O)NCC[N@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255680544 808423248 /nfs/dbraw/zinc/42/32/48/808423248.db2.gz ZGQCANJTFBBARE-FKJOKYEKSA-N 2 2 251.374 0.822 20 0 CCADLP C[C@@H]1C(=O)NCC[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255680544 808423250 /nfs/dbraw/zinc/42/32/50/808423250.db2.gz ZGQCANJTFBBARE-FKJOKYEKSA-N 2 2 251.374 0.822 20 0 CCADLP C[C@@H]1C(=O)NCC[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255680544 808423254 /nfs/dbraw/zinc/42/32/54/808423254.db2.gz ZGQCANJTFBBARE-FKJOKYEKSA-N 2 2 251.374 0.822 20 0 CCADLP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+][C@@H]2COC[C@H]2[NH3+])C1 ZINC001255897653 808436646 /nfs/dbraw/zinc/43/66/46/808436646.db2.gz DQMDBWSTULOYAK-IJLUTSLNSA-N 2 2 285.388 0.702 20 0 CCADLP C[N@H+](CCO)CCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256074000 808468373 /nfs/dbraw/zinc/46/83/73/808468373.db2.gz HRKHIOIIJGEETO-UHFFFAOYSA-N 3 2 255.406 0.517 20 0 CCADLP C[N@@H+](CCO)CCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001256074000 808468377 /nfs/dbraw/zinc/46/83/77/808468377.db2.gz HRKHIOIIJGEETO-UHFFFAOYSA-N 3 2 255.406 0.517 20 0 CCADLP c1cnc(N2CC([NH2+]C3CC[NH+](C4CC4)CC3)C2)cn1 ZINC001256069544 808468408 /nfs/dbraw/zinc/46/84/08/808468408.db2.gz GRABTQDTVXWCRI-UHFFFAOYSA-N 2 2 273.384 0.882 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](N3CCOCC3)C2)CC1 ZINC001256207813 808478991 /nfs/dbraw/zinc/47/89/91/808478991.db2.gz UIOBHGFVPLRJRB-CQSZACIVSA-N 2 2 253.390 0.487 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](N3CCOCC3)C2)CC1 ZINC001256207813 808478997 /nfs/dbraw/zinc/47/89/97/808478997.db2.gz UIOBHGFVPLRJRB-CQSZACIVSA-N 2 2 253.390 0.487 20 0 CCADLP CC(C)[NH+]1CCC(N2CC([N@H+](C)C3COC3)C2)CC1 ZINC001257217844 808598415 /nfs/dbraw/zinc/59/84/15/808598415.db2.gz PFGGLJVLGKEXIL-UHFFFAOYSA-N 2 2 267.417 0.874 20 0 CCADLP CC(C)[NH+]1CCC(N2CC([N@@H+](C)C3COC3)C2)CC1 ZINC001257217844 808598420 /nfs/dbraw/zinc/59/84/20/808598420.db2.gz PFGGLJVLGKEXIL-UHFFFAOYSA-N 2 2 267.417 0.874 20 0 CCADLP CCC[NH+]1CCC(NC(=[NH2+])N2CC[NH+](C)CC2)CC1 ZINC001258767262 808699964 /nfs/dbraw/zinc/69/99/64/808699964.db2.gz YMZAANJPYXDSAY-UHFFFAOYSA-N 3 2 267.421 0.633 20 0 CCADLP CCC[NH+]1CCC([NH2+]C2(CO)CCN(C)CC2)CC1 ZINC001258771845 808701393 /nfs/dbraw/zinc/70/13/93/808701393.db2.gz XYNABJJLLRHOGB-UHFFFAOYSA-N 2 2 269.433 0.907 20 0 CCADLP CCC[NH+]1CCC([NH2+][C@@H](CCC(=O)OC)C(N)=O)CC1 ZINC001258770380 808701872 /nfs/dbraw/zinc/70/18/72/808701872.db2.gz KQGNXAKXINPIRL-LBPRGKRZSA-N 2 2 285.388 0.258 20 0 CCADLP [NH3+]CCOCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001261457386 808982366 /nfs/dbraw/zinc/98/23/66/808982366.db2.gz IAXQTBJVFJUOMF-JTQLQIEISA-N 2 2 252.318 0.091 20 0 CCADLP C[C@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1cc(CO)on1 ZINC001262197335 809236233 /nfs/dbraw/zinc/23/62/33/809236233.db2.gz LAWODGZMRYAXAZ-ZDUSSCGKSA-N 2 2 296.415 0.845 20 0 CCADLP C[C@@H]1[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CO[C@H]1C ZINC001262198450 809237444 /nfs/dbraw/zinc/23/74/44/809237444.db2.gz MUOSQXHTUYVOFJ-AJNGGQMLSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@@H]1[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CO[C@H]1C ZINC001262198450 809237449 /nfs/dbraw/zinc/23/74/49/809237449.db2.gz MUOSQXHTUYVOFJ-AJNGGQMLSA-N 2 2 297.443 0.942 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001262559856 809341978 /nfs/dbraw/zinc/34/19/78/809341978.db2.gz XWQQJFMZGASSMI-QWHCGFSZSA-N 2 2 277.372 0.524 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC001262580619 809355659 /nfs/dbraw/zinc/35/56/59/809355659.db2.gz VQSUUTXJFUKIQB-YPMHNXCESA-N 2 2 268.405 0.897 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)Cn1cc[nH+]c1 ZINC001263095926 809442108 /nfs/dbraw/zinc/44/21/08/809442108.db2.gz AOIISEVJETYGQT-YVECIDJPSA-N 2 2 262.357 0.776 20 0 CCADLP C[C@@H]1C[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH3+] ZINC001263130997 809454980 /nfs/dbraw/zinc/45/49/80/809454980.db2.gz KARZMSBBYQDSAT-OUAUKWLOSA-N 2 2 250.346 0.784 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H](C)C[NH2+]C ZINC001263199111 809479004 /nfs/dbraw/zinc/47/90/04/809479004.db2.gz WQETYTCWGRGSGI-NWDGAFQWSA-N 2 2 257.378 0.069 20 0 CCADLP C[C@H](CC[S@@](C)=O)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000380077198 809518941 /nfs/dbraw/zinc/51/89/41/809518941.db2.gz RKWJXLHJMZCXKX-YOIRWDDOSA-N 2 2 262.419 0.188 20 0 CCADLP C[C@H](CC[S@@](C)=O)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000380077198 809518947 /nfs/dbraw/zinc/51/89/47/809518947.db2.gz RKWJXLHJMZCXKX-YOIRWDDOSA-N 2 2 262.419 0.188 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@@H+](C)C[C@H](C)O ZINC001265061696 809702296 /nfs/dbraw/zinc/70/22/96/809702296.db2.gz ANIMCLLILXNERC-JTQLQIEISA-N 2 2 268.361 0.080 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@H+](C)C[C@H](C)O ZINC001265061696 809702301 /nfs/dbraw/zinc/70/23/01/809702301.db2.gz ANIMCLLILXNERC-JTQLQIEISA-N 2 2 268.361 0.080 20 0 CCADLP CC[N@H+](C)CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001265877716 809882973 /nfs/dbraw/zinc/88/29/73/809882973.db2.gz NCTSNNHTVKAXPS-GFCCVEGCSA-N 2 2 264.373 0.904 20 0 CCADLP CC[N@@H+](C)CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001265877716 809882978 /nfs/dbraw/zinc/88/29/78/809882978.db2.gz NCTSNNHTVKAXPS-GFCCVEGCSA-N 2 2 264.373 0.904 20 0 CCADLP O=C(C[NH2+]C1CC[NH+](C2CC2)CC1)NCC(F)(F)F ZINC000393669475 809899014 /nfs/dbraw/zinc/89/90/14/809899014.db2.gz CXJSWFYDBAHONY-UHFFFAOYSA-N 2 2 279.306 0.881 20 0 CCADLP CC[C@@H](F)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001265949704 809902704 /nfs/dbraw/zinc/90/27/04/809902704.db2.gz ZJAJYRALFLEPCK-NEPJUHHUSA-N 2 2 268.336 0.822 20 0 CCADLP CN(CC[NH2+]Cc1cccnc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001267434291 811301023 /nfs/dbraw/zinc/30/10/23/811301023.db2.gz JDTKROGTLKZINB-UHFFFAOYSA-N 2 2 273.340 0.595 20 0 CCADLP CCOCC[NH2+]CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001267456345 811317390 /nfs/dbraw/zinc/31/73/90/811317390.db2.gz UGVMIKJPZVBXAA-UHFFFAOYSA-N 2 2 282.388 0.772 20 0 CCADLP C[C@@H](F)CC[NH2+]CCN(C)C(=O)Cc1c[nH+]cn1C ZINC001267456224 811318452 /nfs/dbraw/zinc/31/84/52/811318452.db2.gz PWJODXONEXNRGH-LLVKDONJSA-N 2 2 270.352 0.759 20 0 CCADLP CCOC(=O)C[C@@H]1C(=O)NCC[N@H+]1CC1CC[NH+](C)CC1 ZINC001207398479 811336478 /nfs/dbraw/zinc/33/64/78/811336478.db2.gz TUXOKHAFZDDEPV-CYBMUJFWSA-N 2 2 297.399 0.082 20 0 CCADLP CCOC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC001207398479 811336486 /nfs/dbraw/zinc/33/64/86/811336486.db2.gz TUXOKHAFZDDEPV-CYBMUJFWSA-N 2 2 297.399 0.082 20 0 CCADLP CCC[N@H+](C)CC(=O)NC1C[NH+](CC[C@H](C)F)C1 ZINC001267667542 811631586 /nfs/dbraw/zinc/63/15/86/811631586.db2.gz ATCSQKFMFKSDSP-NSHDSACASA-N 2 2 259.369 0.877 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC1C[NH+](CC[C@H](C)F)C1 ZINC001267667542 811631591 /nfs/dbraw/zinc/63/15/91/811631591.db2.gz ATCSQKFMFKSDSP-NSHDSACASA-N 2 2 259.369 0.877 20 0 CCADLP CC(C)[C@]1(C(=O)NC[C@H]2C[N@H+](C)CCO2)CCC[NH2+]C1 ZINC001219695481 811698602 /nfs/dbraw/zinc/69/86/02/811698602.db2.gz USZSZHJXKAPARL-ZFWWWQNUSA-N 2 2 283.416 0.459 20 0 CCADLP CC(C)[C@]1(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CCC[NH2+]C1 ZINC001219695481 811698605 /nfs/dbraw/zinc/69/86/05/811698605.db2.gz USZSZHJXKAPARL-ZFWWWQNUSA-N 2 2 283.416 0.459 20 0 CCADLP O=C(NCCC1=CCCCC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220254752 811727194 /nfs/dbraw/zinc/72/71/94/811727194.db2.gz WCIFITNIQSBZAR-ZFWWWQNUSA-N 2 2 263.385 0.945 20 0 CCADLP [NH3+]CCc1nnn(-c2ccc(Cn3cc[nH+]c3)cc2)n1 ZINC001167790148 812071971 /nfs/dbraw/zinc/07/19/71/812071971.db2.gz AGDSLJCLRSUCRQ-UHFFFAOYSA-N 2 2 269.312 0.408 20 0 CCADLP C[C@H](C[NH2+]CC[C@@H]1CCOC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001268091109 812232699 /nfs/dbraw/zinc/23/26/99/812232699.db2.gz AHSNMYQJQDTKJN-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H](C[NH2+]CC[C@H]1CCCO1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001268097895 812254218 /nfs/dbraw/zinc/25/42/18/812254218.db2.gz MGHUHTRLFLBTIY-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@H](O)CCC[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001268097593 812255920 /nfs/dbraw/zinc/25/59/20/812255920.db2.gz GRJASHNRSPMFLW-STQMWFEESA-N 2 2 282.388 0.481 20 0 CCADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1[NH2+]CCCO ZINC001268145153 812302472 /nfs/dbraw/zinc/30/24/72/812302472.db2.gz ZVAQQEBTZBOPEL-JSGCOSHPSA-N 2 2 294.399 0.172 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCF)C[C@H]21 ZINC001075619826 812475737 /nfs/dbraw/zinc/47/57/37/812475737.db2.gz QCZRROJEBDHWBP-RWMBFGLXSA-N 2 2 269.364 0.583 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCF)C[C@H]21 ZINC001075619826 812475742 /nfs/dbraw/zinc/47/57/42/812475742.db2.gz QCZRROJEBDHWBP-RWMBFGLXSA-N 2 2 269.364 0.583 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001075619826 812475749 /nfs/dbraw/zinc/47/57/49/812475749.db2.gz QCZRROJEBDHWBP-RWMBFGLXSA-N 2 2 269.364 0.583 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC001075619826 812475753 /nfs/dbraw/zinc/47/57/53/812475753.db2.gz QCZRROJEBDHWBP-RWMBFGLXSA-N 2 2 269.364 0.583 20 0 CCADLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccnc(F)c1 ZINC001139834378 812549390 /nfs/dbraw/zinc/54/93/90/812549390.db2.gz FQDRSIYXVMIXHL-UHFFFAOYSA-N 2 2 266.364 0.900 20 0 CCADLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccnc(F)c1 ZINC001139834378 812549395 /nfs/dbraw/zinc/54/93/95/812549395.db2.gz FQDRSIYXVMIXHL-UHFFFAOYSA-N 2 2 266.364 0.900 20 0 CCADLP CCCCC[NH+]1CC(NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001268483802 812661012 /nfs/dbraw/zinc/66/10/12/812661012.db2.gz ASZIFKLKFYCTLF-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP CCCCC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001268483802 812661014 /nfs/dbraw/zinc/66/10/14/812661014.db2.gz ASZIFKLKFYCTLF-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP COc1nccc(C)c1-c1noc([C@H]2C[NH2+]C[C@@H]2[NH3+])n1 ZINC001211757642 812688089 /nfs/dbraw/zinc/68/80/89/812688089.db2.gz JDFUCFPFIYYWSK-IUCAKERBSA-N 2 2 275.312 0.463 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1c1nc(-c2cccn3ccnc23)no1 ZINC001211757680 812688334 /nfs/dbraw/zinc/68/83/34/812688334.db2.gz KSYOPFJQIHNCJF-UWVGGRQHSA-N 2 2 270.296 0.398 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CCCF)C[C@H]32)C1 ZINC001075643883 812732746 /nfs/dbraw/zinc/73/27/46/812732746.db2.gz OJZIQXZBTGKQLL-MJBXVCDLSA-N 2 2 299.390 0.209 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CCCF)C[C@H]32)C1 ZINC001075643883 812732753 /nfs/dbraw/zinc/73/27/53/812732753.db2.gz OJZIQXZBTGKQLL-MJBXVCDLSA-N 2 2 299.390 0.209 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](CCCF)C[C@H]32)C1 ZINC001075643883 812732759 /nfs/dbraw/zinc/73/27/59/812732759.db2.gz OJZIQXZBTGKQLL-MJBXVCDLSA-N 2 2 299.390 0.209 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCCF)C[C@H]32)C1 ZINC001075643883 812732767 /nfs/dbraw/zinc/73/27/67/812732767.db2.gz OJZIQXZBTGKQLL-MJBXVCDLSA-N 2 2 299.390 0.209 20 0 CCADLP CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075643886 812732788 /nfs/dbraw/zinc/73/27/88/812732788.db2.gz OMCDTJKIVJTWLT-RRFJBIMHSA-N 2 2 295.427 0.650 20 0 CCADLP CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075643886 812732790 /nfs/dbraw/zinc/73/27/90/812732790.db2.gz OMCDTJKIVJTWLT-RRFJBIMHSA-N 2 2 295.427 0.650 20 0 CCADLP CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001075643886 812732799 /nfs/dbraw/zinc/73/27/99/812732799.db2.gz OMCDTJKIVJTWLT-RRFJBIMHSA-N 2 2 295.427 0.650 20 0 CCADLP CCCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001075643886 812732805 /nfs/dbraw/zinc/73/28/05/812732805.db2.gz OMCDTJKIVJTWLT-RRFJBIMHSA-N 2 2 295.427 0.650 20 0 CCADLP C(C[NH+]1CCOCC1)N1CC[NH+]([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167938299 812921326 /nfs/dbraw/zinc/92/13/26/812921326.db2.gz DGVJRTYJQUFQQD-MUJYYYPQSA-N 2 2 279.428 0.735 20 0 CCADLP CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001268653196 812982829 /nfs/dbraw/zinc/98/28/29/812982829.db2.gz QMMPLXMZXCAWDR-NEPJUHHUSA-N 2 2 264.373 0.950 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC1C[NH+](CCF)C1 ZINC001268854884 813114793 /nfs/dbraw/zinc/11/47/93/813114793.db2.gz WLIJEAMXXZARHX-UHFFFAOYSA-N 2 2 254.309 0.209 20 0 CCADLP C[N@@H+]1CCC2(CN(C(=O)c3ccc4[nH+]c(N)[nH]c4c3)C2)C1 ZINC001269146135 813238704 /nfs/dbraw/zinc/23/87/04/813238704.db2.gz MTWDOAZIHIJCFK-UHFFFAOYSA-N 2 2 285.351 0.923 20 0 CCADLP C[N@H+]1CCC2(CN(C(=O)c3ccc4[nH+]c(N)[nH]c4c3)C2)C1 ZINC001269146135 813238711 /nfs/dbraw/zinc/23/87/11/813238711.db2.gz MTWDOAZIHIJCFK-UHFFFAOYSA-N 2 2 285.351 0.923 20 0 CCADLP CC[C@H](C(=O)N(C)C1C[NH+](CCCF)C1)[NH+](C)C ZINC001269876770 813542927 /nfs/dbraw/zinc/54/29/27/813542927.db2.gz YNZKCSXZIPGLEQ-GFCCVEGCSA-N 2 2 259.369 0.829 20 0 CCADLP CCCC[C@H]([NH2+]CCNC(=O)CCc1[nH]cc[nH+]1)C(N)=O ZINC001126447267 813628704 /nfs/dbraw/zinc/62/87/04/813628704.db2.gz BTBHYJIBGRRXCX-NSHDSACASA-N 2 2 295.387 0.092 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCO ZINC001270263243 813702163 /nfs/dbraw/zinc/70/21/63/813702163.db2.gz HALONLOICRZBED-JHJVBQTASA-N 2 2 292.383 0.097 20 0 CCADLP Cc1nc(N[C@H]2C[C@H](NC(=O)C[NH+]3CCCC3)C2)cc[nH+]1 ZINC001059233693 813980411 /nfs/dbraw/zinc/98/04/11/813980411.db2.gz XJYVYSLIGVOINN-JOCQHMNTSA-N 2 2 289.383 0.940 20 0 CCADLP C[C@]1(NC(=O)/C=C\C[NH+]2CCOCC2)C[NH+]2CCC1CC2 ZINC000912373387 815616185 /nfs/dbraw/zinc/61/61/85/815616185.db2.gz CDLXGXNCDJKMAZ-YPQKKHBXSA-N 2 2 293.411 0.475 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CCCCC[C@@H]([NH2+]CCO)C1 ZINC001088306063 814592348 /nfs/dbraw/zinc/59/23/48/814592348.db2.gz OZBRYEAHCOERQU-CYBMUJFWSA-N 2 2 294.399 0.695 20 0 CCADLP CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001075866887 814598445 /nfs/dbraw/zinc/59/84/45/814598445.db2.gz XBYRQOJQGIFPOU-WCQYABFASA-N 2 2 262.357 0.895 20 0 CCADLP CC[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001075866887 814598449 /nfs/dbraw/zinc/59/84/49/814598449.db2.gz XBYRQOJQGIFPOU-WCQYABFASA-N 2 2 262.357 0.895 20 0 CCADLP CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001075866887 814598451 /nfs/dbraw/zinc/59/84/51/814598451.db2.gz XBYRQOJQGIFPOU-WCQYABFASA-N 2 2 262.357 0.895 20 0 CCADLP CC[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001075866887 814598457 /nfs/dbraw/zinc/59/84/57/814598457.db2.gz XBYRQOJQGIFPOU-WCQYABFASA-N 2 2 262.357 0.895 20 0 CCADLP CC(C)C[C@@H]([NH3+])C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000167685125 815966050 /nfs/dbraw/zinc/96/60/50/815966050.db2.gz ZFLSUOGIVXOIMV-JHJVBQTASA-N 2 2 271.405 0.585 20 0 CCADLP COCC[NH+]1CC(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001030305748 815968181 /nfs/dbraw/zinc/96/81/81/815968181.db2.gz CDZUVWVPZCZDCE-JSGCOSHPSA-N 2 2 281.400 0.308 20 0 CCADLP COCC[NH+]1CC(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001030305748 815968186 /nfs/dbraw/zinc/96/81/86/815968186.db2.gz CDZUVWVPZCZDCE-JSGCOSHPSA-N 2 2 281.400 0.308 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC001105909044 815979870 /nfs/dbraw/zinc/97/98/70/815979870.db2.gz CBVHUTDQSCOKDR-LBPRGKRZSA-N 2 2 295.387 0.016 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC001105909044 815979873 /nfs/dbraw/zinc/97/98/73/815979873.db2.gz CBVHUTDQSCOKDR-LBPRGKRZSA-N 2 2 295.387 0.016 20 0 CCADLP O=C(NC1C[NH+](CCCO)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001030443497 816041723 /nfs/dbraw/zinc/04/17/23/816041723.db2.gz TXPPQMQTXYBZAQ-OAHLLOKOSA-N 2 2 295.427 0.576 20 0 CCADLP O=C(NC1C[NH+](CCCO)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001030443497 816041730 /nfs/dbraw/zinc/04/17/30/816041730.db2.gz TXPPQMQTXYBZAQ-OAHLLOKOSA-N 2 2 295.427 0.576 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC1C[NH+](CCCO)C1 ZINC001030444224 816041884 /nfs/dbraw/zinc/04/18/84/816041884.db2.gz FZVWUKONHPFBKR-AWEZNQCLSA-N 2 2 283.416 0.432 20 0 CCADLP CC(C)[N@H+]1CCC[C@H]1CC(=O)NC1C[NH+](CCCO)C1 ZINC001030444224 816041890 /nfs/dbraw/zinc/04/18/90/816041890.db2.gz FZVWUKONHPFBKR-AWEZNQCLSA-N 2 2 283.416 0.432 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001030595043 816132640 /nfs/dbraw/zinc/13/26/40/816132640.db2.gz YHRVXEONKGOGMA-HIFRSBDPSA-N 2 2 297.443 0.942 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001030595043 816132643 /nfs/dbraw/zinc/13/26/43/816132643.db2.gz YHRVXEONKGOGMA-HIFRSBDPSA-N 2 2 297.443 0.942 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030594312 816132741 /nfs/dbraw/zinc/13/27/41/816132741.db2.gz HAQOVFBXVAVCCC-AWEZNQCLSA-N 2 2 283.416 0.290 20 0 CCADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030594312 816132743 /nfs/dbraw/zinc/13/27/43/816132743.db2.gz HAQOVFBXVAVCCC-AWEZNQCLSA-N 2 2 283.416 0.290 20 0 CCADLP C[C@@H](O)C[NH+]1CC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001030742306 816259275 /nfs/dbraw/zinc/25/92/75/816259275.db2.gz RCYJDWGGVFHUOR-BXUZGUMPSA-N 2 2 281.400 0.042 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCO ZINC001272290338 816274839 /nfs/dbraw/zinc/27/48/39/816274839.db2.gz MRGNHRSMDBTDHB-OLZOCXBDSA-N 2 2 294.399 0.220 20 0 CCADLP CCCC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001030839710 816334104 /nfs/dbraw/zinc/33/41/04/816334104.db2.gz QXKPPXHZVQRHOQ-AWEZNQCLSA-N 2 2 283.416 0.696 20 0 CCADLP CCCC[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001030839710 816334111 /nfs/dbraw/zinc/33/41/11/816334111.db2.gz QXKPPXHZVQRHOQ-AWEZNQCLSA-N 2 2 283.416 0.696 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001030845055 816339185 /nfs/dbraw/zinc/33/91/85/816339185.db2.gz UPCPCQDHENGFBB-XQQFMLRXSA-N 2 2 283.416 0.552 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001030845055 816339191 /nfs/dbraw/zinc/33/91/91/816339191.db2.gz UPCPCQDHENGFBB-XQQFMLRXSA-N 2 2 283.416 0.552 20 0 CCADLP CCC[N@@H+]1C[C@]2(F)CN(CC[NH+](C)C)C(=O)[C@]2(F)C1 ZINC001272454674 816442279 /nfs/dbraw/zinc/44/22/79/816442279.db2.gz SMYQVEMIDDKRFS-QWHCGFSZSA-N 2 2 275.343 0.532 20 0 CCADLP CCC[N@H+]1C[C@]2(F)CN(CC[NH+](C)C)C(=O)[C@]2(F)C1 ZINC001272454674 816442285 /nfs/dbraw/zinc/44/22/85/816442285.db2.gz SMYQVEMIDDKRFS-QWHCGFSZSA-N 2 2 275.343 0.532 20 0 CCADLP C[C@@H]1CCC[N@@H+]1CC(=O)NC1C[NH+](CCCF)C1 ZINC001030955686 816498231 /nfs/dbraw/zinc/49/82/31/816498231.db2.gz JVMVRPARWOWPNV-LLVKDONJSA-N 2 2 257.353 0.631 20 0 CCADLP C[C@@H]1CCC[N@H+]1CC(=O)NC1C[NH+](CCCF)C1 ZINC001030955686 816498235 /nfs/dbraw/zinc/49/82/35/816498235.db2.gz JVMVRPARWOWPNV-LLVKDONJSA-N 2 2 257.353 0.631 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1C[NH+](CCOC2CCC2)C1 ZINC001030963239 816509541 /nfs/dbraw/zinc/50/95/41/816509541.db2.gz LKYFSVRWXGVLGS-IUODEOHRSA-N 2 2 295.427 0.554 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1C[NH+](CCOC2CCC2)C1 ZINC001030963239 816509549 /nfs/dbraw/zinc/50/95/49/816509549.db2.gz LKYFSVRWXGVLGS-IUODEOHRSA-N 2 2 295.427 0.554 20 0 CCADLP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001031236643 816869754 /nfs/dbraw/zinc/86/97/54/816869754.db2.gz GBVHHNQMEKAHHK-HNNXBMFYSA-N 2 2 297.443 0.824 20 0 CCADLP CCCC[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001031236643 816869758 /nfs/dbraw/zinc/86/97/58/816869758.db2.gz GBVHHNQMEKAHHK-HNNXBMFYSA-N 2 2 297.443 0.824 20 0 CCADLP COCC[NH+]1CC(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001031254520 816903046 /nfs/dbraw/zinc/90/30/46/816903046.db2.gz USYYXVROYKEFSG-GXTWGEPZSA-N 2 2 283.416 0.554 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC1C[NH+](C[C@H]2CCOC2)C1 ZINC001031390304 817025247 /nfs/dbraw/zinc/02/52/47/817025247.db2.gz KSEOZZJWUWMQJW-GFCCVEGCSA-N 2 2 278.356 0.028 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001031440274 817055656 /nfs/dbraw/zinc/05/56/56/817055656.db2.gz TVDCXNUFJCTXAX-WCQYABFASA-N 2 2 269.389 0.042 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001031440274 817055666 /nfs/dbraw/zinc/05/56/66/817055666.db2.gz TVDCXNUFJCTXAX-WCQYABFASA-N 2 2 269.389 0.042 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2cnsn2)CC[N@@H+]1C ZINC001127695117 817463186 /nfs/dbraw/zinc/46/31/86/817463186.db2.gz BORQYWLIRNMOCI-NWDGAFQWSA-N 2 2 297.428 0.474 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2cnsn2)CC[N@H+]1C ZINC001127695117 817463191 /nfs/dbraw/zinc/46/31/91/817463191.db2.gz BORQYWLIRNMOCI-NWDGAFQWSA-N 2 2 297.428 0.474 20 0 CCADLP COCC[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001031983302 817520575 /nfs/dbraw/zinc/52/05/75/817520575.db2.gz VQGNDUQKUSTUTQ-CHWSQXEVSA-N 2 2 292.383 0.218 20 0 CCADLP CO[C@H](C)C[NH2+]CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001127785113 817870023 /nfs/dbraw/zinc/87/00/23/817870023.db2.gz FZYFTZYLYHZMPF-GFCCVEGCSA-N 2 2 294.399 0.503 20 0 CCADLP CC(C)=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001032331784 817887487 /nfs/dbraw/zinc/88/74/87/817887487.db2.gz JQMNFELDVRBHKV-KKUMJFAQSA-N 2 2 293.411 0.568 20 0 CCADLP CC(C)=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001032331784 817887494 /nfs/dbraw/zinc/88/74/94/817887494.db2.gz JQMNFELDVRBHKV-KKUMJFAQSA-N 2 2 293.411 0.568 20 0 CCADLP CC(C)=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001032331784 817887500 /nfs/dbraw/zinc/88/75/00/817887500.db2.gz JQMNFELDVRBHKV-KKUMJFAQSA-N 2 2 293.411 0.568 20 0 CCADLP CC(C)=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001032331784 817887507 /nfs/dbraw/zinc/88/75/07/817887507.db2.gz JQMNFELDVRBHKV-KKUMJFAQSA-N 2 2 293.411 0.568 20 0 CCADLP CC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001054927236 818089951 /nfs/dbraw/zinc/08/99/51/818089951.db2.gz KGKDWTGIVJSXKW-NWDGAFQWSA-N 2 2 264.373 0.809 20 0 CCADLP CN(C(=O)Cn1cc[nH+]c1)C1C[NH+](CC2CCOCC2)C1 ZINC001044368053 818414140 /nfs/dbraw/zinc/41/41/40/818414140.db2.gz KRCAJUDFEIAGIY-UHFFFAOYSA-N 2 2 292.383 0.452 20 0 CCADLP O=C1[C@@H]([N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)CCN1C1CCOCC1 ZINC000360542336 818441362 /nfs/dbraw/zinc/44/13/62/818441362.db2.gz CKDYIQQZGZMNGX-GOEBONIOSA-N 2 2 293.411 0.452 20 0 CCADLP O=C1[C@@H]([N@H+]2CC[C@@]3(CC[NH2+]C3)C2)CCN1C1CCOCC1 ZINC000360542336 818441371 /nfs/dbraw/zinc/44/13/71/818441371.db2.gz CKDYIQQZGZMNGX-GOEBONIOSA-N 2 2 293.411 0.452 20 0 CCADLP COc1cnc(C)nc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168735877 818539158 /nfs/dbraw/zinc/53/91/58/818539158.db2.gz VCMJEPCIBCBNOD-UHFFFAOYSA-N 2 2 264.333 0.388 20 0 CCADLP COc1nc(Cl)nnc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168736404 818546027 /nfs/dbraw/zinc/54/60/27/818546027.db2.gz LXJUXNCIQGBRJA-UHFFFAOYSA-N 2 2 285.739 0.128 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cc(-n3ccnc3)ncn2)CC1 ZINC001168736441 818548110 /nfs/dbraw/zinc/54/81/10/818548110.db2.gz MEGSEHNZNRPFJV-UHFFFAOYSA-N 2 2 286.343 0.256 20 0 CCADLP COCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001033163546 818589803 /nfs/dbraw/zinc/58/98/03/818589803.db2.gz MZGDZWYAMGDVIC-JHJVBQTASA-N 2 2 292.383 0.692 20 0 CCADLP COCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001033163546 818589805 /nfs/dbraw/zinc/58/98/05/818589805.db2.gz MZGDZWYAMGDVIC-JHJVBQTASA-N 2 2 292.383 0.692 20 0 CCADLP COCCOc1cc(NC(=[NH2+])N2CC[NH+](C)CC2)ccn1 ZINC001168740995 818610178 /nfs/dbraw/zinc/61/01/78/818610178.db2.gz UEJQEPLVIYUQPS-UHFFFAOYSA-N 2 2 293.371 0.701 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc3ncnn3c2F)CC1 ZINC001168746443 818628308 /nfs/dbraw/zinc/62/83/08/818628308.db2.gz PZUHPYYGXGCSRY-UHFFFAOYSA-N 2 2 277.307 0.462 20 0 CCADLP Cc1[nH+]ccn1-c1ccc(-n2cnc(C[NH3+])n2)nn1 ZINC001168751136 818684912 /nfs/dbraw/zinc/68/49/12/818684912.db2.gz YQJNPQXLKWYSRY-UHFFFAOYSA-N 2 2 256.273 0.010 20 0 CCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CCCF)C1 ZINC001033451827 818783770 /nfs/dbraw/zinc/78/37/70/818783770.db2.gz FYIPRTDAUJXFFT-GFCCVEGCSA-N 2 2 268.336 0.845 20 0 CCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CCCF)C1 ZINC001033451827 818783778 /nfs/dbraw/zinc/78/37/78/818783778.db2.gz FYIPRTDAUJXFFT-GFCCVEGCSA-N 2 2 268.336 0.845 20 0 CCADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H]1CC[N@H+](CCCO)C1 ZINC001033587649 818840692 /nfs/dbraw/zinc/84/06/92/818840692.db2.gz ICGODWNODWINSU-LBPRGKRZSA-N 2 2 294.399 0.602 20 0 CCADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033587649 818840697 /nfs/dbraw/zinc/84/06/97/818840697.db2.gz ICGODWNODWINSU-LBPRGKRZSA-N 2 2 294.399 0.602 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cccc3c2OCC3)C1 ZINC000702628415 819154397 /nfs/dbraw/zinc/15/43/97/819154397.db2.gz LBYZEMQTQXPFMO-HNNXBMFYSA-N 2 2 262.353 0.778 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cccc3c2OCC3)C1 ZINC000702628415 819154399 /nfs/dbraw/zinc/15/43/99/819154399.db2.gz LBYZEMQTQXPFMO-HNNXBMFYSA-N 2 2 262.353 0.778 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547453 819240178 /nfs/dbraw/zinc/24/01/78/819240178.db2.gz QTQDLFVICLLNDI-CHWSQXEVSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@@H](O)C[N@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547453 819240182 /nfs/dbraw/zinc/24/01/82/819240182.db2.gz QTQDLFVICLLNDI-CHWSQXEVSA-N 2 2 280.372 0.235 20 0 CCADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(N)nn3)CC[C@H]21 ZINC000703949320 819338830 /nfs/dbraw/zinc/33/88/30/819338830.db2.gz GDGSHLBFPSTXMT-WCQYABFASA-N 2 2 261.373 0.975 20 0 CCADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(N)nn3)CC[C@H]21 ZINC000703949320 819338837 /nfs/dbraw/zinc/33/88/37/819338837.db2.gz GDGSHLBFPSTXMT-WCQYABFASA-N 2 2 261.373 0.975 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(N)nn3)CC[C@H]21 ZINC000703949320 819338843 /nfs/dbraw/zinc/33/88/43/819338843.db2.gz GDGSHLBFPSTXMT-WCQYABFASA-N 2 2 261.373 0.975 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(N)nn3)CC[C@H]21 ZINC000703949320 819338849 /nfs/dbraw/zinc/33/88/49/819338849.db2.gz GDGSHLBFPSTXMT-WCQYABFASA-N 2 2 261.373 0.975 20 0 CCADLP CCOC(=O)[C@@H](C)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710593802 819856148 /nfs/dbraw/zinc/85/61/48/819856148.db2.gz CCLVCCRLSDXJJH-LLVKDONJSA-N 2 2 258.362 0.327 20 0 CCADLP Cc1noc(C[NH+]2CCC(O)(C[NH+](C)C)CC2)n1 ZINC000710621425 819858697 /nfs/dbraw/zinc/85/86/97/819858697.db2.gz GROFWZKXMBBNLG-UHFFFAOYSA-N 2 2 254.334 0.267 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CF)C1 ZINC000711456093 820033232 /nfs/dbraw/zinc/03/32/32/820033232.db2.gz ZVUJAFHSLHOUIX-OLZOCXBDSA-N 2 2 262.369 0.607 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CF)C1 ZINC000711456093 820033240 /nfs/dbraw/zinc/03/32/40/820033240.db2.gz ZVUJAFHSLHOUIX-OLZOCXBDSA-N 2 2 262.369 0.607 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](CF)C1 ZINC000711456093 820033247 /nfs/dbraw/zinc/03/32/47/820033247.db2.gz ZVUJAFHSLHOUIX-OLZOCXBDSA-N 2 2 262.369 0.607 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](CF)C1 ZINC000711456093 820033255 /nfs/dbraw/zinc/03/32/55/820033255.db2.gz ZVUJAFHSLHOUIX-OLZOCXBDSA-N 2 2 262.369 0.607 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2[C@H](CC[N@H+]2CCO)C1 ZINC001036701788 820049955 /nfs/dbraw/zinc/04/99/55/820049955.db2.gz CMLWFDHNIPEZFW-OLZOCXBDSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2[C@H](CC[N@@H+]2CCO)C1 ZINC001036701788 820049962 /nfs/dbraw/zinc/04/99/62/820049962.db2.gz CMLWFDHNIPEZFW-OLZOCXBDSA-N 2 2 292.383 0.257 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1 ZINC001090362456 820298952 /nfs/dbraw/zinc/29/89/52/820298952.db2.gz XVYHSMSDPYBJSR-OCCSQVGLSA-N 2 2 288.351 0.748 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1 ZINC001090362456 820298961 /nfs/dbraw/zinc/29/89/61/820298961.db2.gz XVYHSMSDPYBJSR-OCCSQVGLSA-N 2 2 288.351 0.748 20 0 CCADLP CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H](OC)C1 ZINC001081871026 820847865 /nfs/dbraw/zinc/84/78/65/820847865.db2.gz VCBCMSJIIUNUQY-MRVWCRGKSA-N 2 2 292.383 0.281 20 0 CCADLP CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H](OC)C1 ZINC001081871026 820847876 /nfs/dbraw/zinc/84/78/76/820847876.db2.gz VCBCMSJIIUNUQY-MRVWCRGKSA-N 2 2 292.383 0.281 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001082549653 820997693 /nfs/dbraw/zinc/99/76/93/820997693.db2.gz QQLCFXDGYZFZKR-NQBHXWOUSA-N 2 2 280.372 0.160 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001082549653 820997700 /nfs/dbraw/zinc/99/77/00/820997700.db2.gz QQLCFXDGYZFZKR-NQBHXWOUSA-N 2 2 280.372 0.160 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCF)C1 ZINC001082795720 821033906 /nfs/dbraw/zinc/03/39/06/821033906.db2.gz DQIDJYYNGBLGEH-DMDPSCGWSA-N 2 2 282.363 0.994 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCF)C1 ZINC001082795720 821033911 /nfs/dbraw/zinc/03/39/11/821033911.db2.gz DQIDJYYNGBLGEH-DMDPSCGWSA-N 2 2 282.363 0.994 20 0 CCADLP CCCC[N@@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099811310 821339678 /nfs/dbraw/zinc/33/96/78/821339678.db2.gz XTEDANYRDIZJOK-OLZOCXBDSA-N 2 2 294.399 0.694 20 0 CCADLP CCCC[N@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099811310 821339682 /nfs/dbraw/zinc/33/96/82/821339682.db2.gz XTEDANYRDIZJOK-OLZOCXBDSA-N 2 2 294.399 0.694 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@H]2CC[N@@H+](CCCO)C[C@H]21 ZINC001084395553 821288708 /nfs/dbraw/zinc/28/87/08/821288708.db2.gz ZNPQFPHDSVEKPV-TZMCWYRMSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@H]2CC[N@H+](CCCO)C[C@H]21 ZINC001084395553 821288716 /nfs/dbraw/zinc/28/87/16/821288716.db2.gz ZNPQFPHDSVEKPV-TZMCWYRMSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1C[C@H]2CC[N@@H+](CCCO)C[C@H]21 ZINC001084395553 821288723 /nfs/dbraw/zinc/28/87/23/821288723.db2.gz ZNPQFPHDSVEKPV-TZMCWYRMSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1C[C@H]2CC[N@H+](CCCO)C[C@H]21 ZINC001084395553 821288731 /nfs/dbraw/zinc/28/87/31/821288731.db2.gz ZNPQFPHDSVEKPV-TZMCWYRMSA-N 2 2 292.383 0.257 20 0 CCADLP CC[C@H](C(=O)N1C[C@H]2CC[N@H+](CCF)C[C@H]21)[NH+](C)C ZINC001084448412 821290139 /nfs/dbraw/zinc/29/01/39/821290139.db2.gz WSSZRCJBFUFXHV-JHJVBQTASA-N 2 2 271.380 0.829 20 0 CCADLP CC[C@H](C(=O)N1C[C@H]2CC[N@@H+](CCF)C[C@H]21)[NH+](C)C ZINC001084448412 821290145 /nfs/dbraw/zinc/29/01/45/821290145.db2.gz WSSZRCJBFUFXHV-JHJVBQTASA-N 2 2 271.380 0.829 20 0 CCADLP C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001085438754 821689236 /nfs/dbraw/zinc/68/92/36/821689236.db2.gz HVNOQVZHZATPNT-YNEHKIRRSA-N 2 2 280.372 0.281 20 0 CCADLP CC(C)=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001085531281 821770962 /nfs/dbraw/zinc/77/09/62/821770962.db2.gz PJTKVIHQNQORHM-GJZGRUSLSA-N 2 2 295.427 0.816 20 0 CCADLP CC(C)=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001085531281 821770969 /nfs/dbraw/zinc/77/09/69/821770969.db2.gz PJTKVIHQNQORHM-GJZGRUSLSA-N 2 2 295.427 0.816 20 0 CCADLP CC(C)=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001085531281 821770973 /nfs/dbraw/zinc/77/09/73/821770973.db2.gz PJTKVIHQNQORHM-GJZGRUSLSA-N 2 2 295.427 0.816 20 0 CCADLP CC(C)=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001085531281 821770977 /nfs/dbraw/zinc/77/09/77/821770977.db2.gz PJTKVIHQNQORHM-GJZGRUSLSA-N 2 2 295.427 0.816 20 0 CCADLP CC(C)=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001085531283 821771485 /nfs/dbraw/zinc/77/14/85/821771485.db2.gz PJTKVIHQNQORHM-LSDHHAIUSA-N 2 2 295.427 0.816 20 0 CCADLP CC(C)=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001085531283 821771490 /nfs/dbraw/zinc/77/14/90/821771490.db2.gz PJTKVIHQNQORHM-LSDHHAIUSA-N 2 2 295.427 0.816 20 0 CCADLP CC(C)=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001085531283 821771494 /nfs/dbraw/zinc/77/14/94/821771494.db2.gz PJTKVIHQNQORHM-LSDHHAIUSA-N 2 2 295.427 0.816 20 0 CCADLP CC(C)=CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001085531283 821771499 /nfs/dbraw/zinc/77/14/99/821771499.db2.gz PJTKVIHQNQORHM-LSDHHAIUSA-N 2 2 295.427 0.816 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001085684937 821900328 /nfs/dbraw/zinc/90/03/28/821900328.db2.gz FOPBXBQKQALSBM-LLVKDONJSA-N 2 2 280.372 0.902 20 0 CCADLP CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001085684937 821900333 /nfs/dbraw/zinc/90/03/33/821900333.db2.gz FOPBXBQKQALSBM-LLVKDONJSA-N 2 2 280.372 0.902 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C)c1csnn1 ZINC001129444303 837505561 /nfs/dbraw/zinc/50/55/61/837505561.db2.gz QTVMYPJIUODGLR-JOYOIKCWSA-N 2 2 297.428 0.645 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)[C@@H](C2CC2)[NH+](C)C)s1 ZINC001129436013 837509133 /nfs/dbraw/zinc/50/91/33/837509133.db2.gz LCXUOFMIIBYOBH-GFCCVEGCSA-N 2 2 297.428 0.393 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[NH2+][C@H](C)c1ncccn1)[NH+](C)C ZINC001129950460 837591844 /nfs/dbraw/zinc/59/18/44/837591844.db2.gz VBBOMXCBVBJEAS-OLZOCXBDSA-N 2 2 293.415 0.830 20 0 CCADLP COC[C@H](C)[NH2+]CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001130166600 837714240 /nfs/dbraw/zinc/71/42/40/837714240.db2.gz JAHSSAMYGBKDOD-LBPRGKRZSA-N 2 2 282.388 0.667 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CCCC[N@@H+]2C)[nH]1 ZINC001130300355 837756912 /nfs/dbraw/zinc/75/69/12/837756912.db2.gz NCQFFSNKJQLJOA-PWSUYJOCSA-N 2 2 294.403 0.364 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CCCC[N@H+]2C)[nH]1 ZINC001130300355 837756919 /nfs/dbraw/zinc/75/69/19/837756919.db2.gz NCQFFSNKJQLJOA-PWSUYJOCSA-N 2 2 294.403 0.364 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C)c1ncccn1 ZINC001130300836 837757071 /nfs/dbraw/zinc/75/70/71/837757071.db2.gz WCFJQXVKRNTPOQ-CHWSQXEVSA-N 2 2 291.399 0.728 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C)c1ncccn1 ZINC001130300836 837757080 /nfs/dbraw/zinc/75/70/80/837757080.db2.gz WCFJQXVKRNTPOQ-CHWSQXEVSA-N 2 2 291.399 0.728 20 0 CCADLP CC[C@H](C[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)OC ZINC001130478137 837801976 /nfs/dbraw/zinc/80/19/76/837801976.db2.gz SXGWMYKLPFBJKQ-QWHCGFSZSA-N 2 2 294.399 0.576 20 0 CCADLP O=C(NCC[NH2+]CCF)[C@H]1CCc2c[nH+]cn2C1 ZINC001130487188 837807451 /nfs/dbraw/zinc/80/74/51/837807451.db2.gz CKSKKYOMDRAXKC-JTQLQIEISA-N 2 2 254.309 0.121 20 0 CCADLP CO[C@@H](C)C[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001130490501 837810787 /nfs/dbraw/zinc/81/07/87/837810787.db2.gz CXOOHQSNRLMSNK-CMPLNLGQSA-N 2 2 294.399 0.564 20 0 CCADLP CCCC[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130484255 837808109 /nfs/dbraw/zinc/80/81/09/837808109.db2.gz JAISCVHXAIKZBN-GFCCVEGCSA-N 2 2 264.373 0.951 20 0 CCADLP CO[C@@H](C)C[NH2+]CCNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001130490501 837810806 /nfs/dbraw/zinc/81/08/06/837810806.db2.gz CXOOHQSNRLMSNK-CMPLNLGQSA-N 2 2 294.399 0.564 20 0 CCADLP CO[C@H](C)C[NH2+]CCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001130490503 837811657 /nfs/dbraw/zinc/81/16/57/837811657.db2.gz CXOOHQSNRLMSNK-PWSUYJOCSA-N 2 2 294.399 0.564 20 0 CCADLP CO[C@H](C)C[NH2+]CCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001130490503 837811672 /nfs/dbraw/zinc/81/16/72/837811672.db2.gz CXOOHQSNRLMSNK-PWSUYJOCSA-N 2 2 294.399 0.564 20 0 CCADLP C[C@@H](F)CC[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130488856 837812827 /nfs/dbraw/zinc/81/28/27/837812827.db2.gz YGVCGEGZPVSFKP-VXGBXAGGSA-N 2 2 282.363 0.899 20 0 CCADLP CC(C)[C@H](C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1)[NH+](C)C ZINC001183366260 844013203 /nfs/dbraw/zinc/01/32/03/844013203.db2.gz XDONTGATJYFCTL-VXGBXAGGSA-N 2 2 268.361 0.016 20 0 CCADLP CC(C)[C@H](C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1)[NH+](C)C ZINC001183366260 844013211 /nfs/dbraw/zinc/01/32/11/844013211.db2.gz XDONTGATJYFCTL-VXGBXAGGSA-N 2 2 268.361 0.016 20 0 CCADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001183774033 844087135 /nfs/dbraw/zinc/08/71/35/844087135.db2.gz XESMSIZZDCZSFD-QWHCGFSZSA-N 2 2 292.383 0.018 20 0 CCADLP CC(C)[N@@H+]1CCO[C@](C)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001108343598 835983134 /nfs/dbraw/zinc/98/31/34/835983134.db2.gz VMUOPNVRPOXLBQ-OAHLLOKOSA-N 2 2 294.399 0.578 20 0 CCADLP CC(C)[N@H+]1CCO[C@](C)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001108343598 835983147 /nfs/dbraw/zinc/98/31/47/835983147.db2.gz VMUOPNVRPOXLBQ-OAHLLOKOSA-N 2 2 294.399 0.578 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2nc[nH]c2n1 ZINC001169067699 836124141 /nfs/dbraw/zinc/12/41/41/836124141.db2.gz WFWVOIIGFOZBNM-MRVPVSSYSA-N 2 2 258.285 0.006 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nccc(-c2cccnc2)n1 ZINC001169070807 836124477 /nfs/dbraw/zinc/12/44/77/836124477.db2.gz CGKZMDKJSHZNRU-GFCCVEGCSA-N 2 2 296.334 0.586 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nncc2ccoc21 ZINC001169071403 836124942 /nfs/dbraw/zinc/12/49/42/836124942.db2.gz CBMAEOYVFQULOB-SECBINFHSA-N 2 2 259.269 0.271 20 0 CCADLP Cc1cc2ccnc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)c2[nH]1 ZINC001169072746 836125673 /nfs/dbraw/zinc/12/56/73/836125673.db2.gz WETROHRSHPEGHG-LLVKDONJSA-N 2 2 271.324 0.919 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2c(c1)CCOC2 ZINC001169071428 836125756 /nfs/dbraw/zinc/12/57/56/836125756.db2.gz CXPCXFXJTAZYLN-CYBMUJFWSA-N 2 2 273.336 0.807 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cccc2ccc(=O)oc21 ZINC001169073803 836127155 /nfs/dbraw/zinc/12/71/55/836127155.db2.gz LUDBZFOMCJPQGY-LLVKDONJSA-N 2 2 285.303 0.841 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccnc2ncccc21 ZINC001169075451 836128207 /nfs/dbraw/zinc/12/82/07/836128207.db2.gz RLGAFIJCJBWBQO-SNVBAGLBSA-N 2 2 269.308 0.678 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2c(c1)OCCCO2 ZINC001169075472 836129093 /nfs/dbraw/zinc/12/90/93/836129093.db2.gz ZCHLNWWRWNGCNF-LLVKDONJSA-N 2 2 289.335 0.896 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1COCCC13OCCO3)C2 ZINC001169099075 836131175 /nfs/dbraw/zinc/13/11/75/836131175.db2.gz MVMWYFGYPJKXQS-CRWXNKLISA-N 2 2 282.384 0.733 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1COCCC13OCCO3)C2 ZINC001169099075 836131180 /nfs/dbraw/zinc/13/11/80/836131180.db2.gz MVMWYFGYPJKXQS-CRWXNKLISA-N 2 2 282.384 0.733 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=[NH2+])N1CC[NH+](C)CC1)C2 ZINC001169097918 836131333 /nfs/dbraw/zinc/13/13/33/836131333.db2.gz FBBZLIBHNMZWEC-XYYAHUGASA-N 3 2 265.405 0.383 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=[NH2+])N1CC[NH+](C)CC1)C2 ZINC001169097918 836131339 /nfs/dbraw/zinc/13/13/39/836131339.db2.gz FBBZLIBHNMZWEC-XYYAHUGASA-N 3 2 265.405 0.383 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)C2 ZINC001169099793 836132600 /nfs/dbraw/zinc/13/26/00/836132600.db2.gz VVRRVKPUCBSFIM-XXCSZPINSA-N 2 2 272.414 0.777 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)C2 ZINC001169099793 836132605 /nfs/dbraw/zinc/13/26/05/836132605.db2.gz VVRRVKPUCBSFIM-XXCSZPINSA-N 2 2 272.414 0.777 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Nc2ccccc2CC[NH3+])C[NH2+]1 ZINC001169132148 836147422 /nfs/dbraw/zinc/14/74/22/836147422.db2.gz GQGFLZDARNWWHJ-YPMHNXCESA-N 2 2 263.341 0.503 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN3C(=O)OC[C@H]3C1)C2 ZINC001169144117 836153548 /nfs/dbraw/zinc/15/35/48/836153548.db2.gz IVFRTBFDDDNRBM-YVECIDJPSA-N 2 2 265.357 0.748 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN3C(=O)OC[C@H]3C1)C2 ZINC001169144117 836153551 /nfs/dbraw/zinc/15/35/51/836153551.db2.gz IVFRTBFDDDNRBM-YVECIDJPSA-N 2 2 265.357 0.748 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCN3C(=O)OC[C@H]3C1)C2 ZINC001169144117 836153555 /nfs/dbraw/zinc/15/35/55/836153555.db2.gz IVFRTBFDDDNRBM-YVECIDJPSA-N 2 2 265.357 0.748 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCN3C(=O)OC[C@H]3C1)C2 ZINC001169144117 836153558 /nfs/dbraw/zinc/15/35/58/836153558.db2.gz IVFRTBFDDDNRBM-YVECIDJPSA-N 2 2 265.357 0.748 20 0 CCADLP CCO[C@H](C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001169211359 836160101 /nfs/dbraw/zinc/16/01/01/836160101.db2.gz GCMISBHZYFFKPC-CYBMUJFWSA-N 2 2 294.399 0.863 20 0 CCADLP CC1(C)CO[C@@H](C[NH2+]CCCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001169212938 836161964 /nfs/dbraw/zinc/16/19/64/836161964.db2.gz YXIMVJYXBMTSCZ-GFCCVEGCSA-N 2 2 294.399 0.863 20 0 CCADLP CC[NH+]1CCC([NH2+]C2(C(N)=O)CCOCC2)CC1 ZINC001169230378 836165065 /nfs/dbraw/zinc/16/50/65/836165065.db2.gz ZXHLSVQNQYAAFQ-UHFFFAOYSA-N 2 2 255.362 0.095 20 0 CCADLP CC[NH+]1CCC(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)CC1 ZINC001169233963 836167191 /nfs/dbraw/zinc/16/71/91/836167191.db2.gz ZBOKCEUVDGYRFO-HNNXBMFYSA-N 3 2 266.433 0.483 20 0 CCADLP C[C@@H]1C[C@@H](C[NH2+]CCCNC(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001169204522 836168430 /nfs/dbraw/zinc/16/84/30/836168430.db2.gz NPPOFUCTJWVIIX-OLZOCXBDSA-N 2 2 294.399 0.863 20 0 CCADLP CC[NH+]1CCC([N@@H+]2CCC[C@H](NC(=O)NC)C2)CC1 ZINC001169264196 836169728 /nfs/dbraw/zinc/16/97/28/836169728.db2.gz JIBUMPKCXRDEPF-LBPRGKRZSA-N 2 2 268.405 0.864 20 0 CCADLP CC[NH+]1CCC([N@H+]2CCC[C@H](NC(=O)NC)C2)CC1 ZINC001169264196 836169734 /nfs/dbraw/zinc/16/97/34/836169734.db2.gz JIBUMPKCXRDEPF-LBPRGKRZSA-N 2 2 268.405 0.864 20 0 CCADLP CC[NH+]1CCC([N@H+]2CCC(=O)N(CC[NH+](C)C)CC2)CC1 ZINC001169265258 836169908 /nfs/dbraw/zinc/16/99/08/836169908.db2.gz NVUYCIRBONOZRU-UHFFFAOYSA-N 3 2 296.459 0.567 20 0 CCADLP CC[NH+]1CCC([N@@H+]2CCC(=O)N(CC[NH+](C)C)CC2)CC1 ZINC001169265258 836169915 /nfs/dbraw/zinc/16/99/15/836169915.db2.gz NVUYCIRBONOZRU-UHFFFAOYSA-N 3 2 296.459 0.567 20 0 CCADLP Cc1[nH+]ccn1-c1cncc(-n2nncc2C[NH3+])n1 ZINC001169311235 836211979 /nfs/dbraw/zinc/21/19/79/836211979.db2.gz SUTLWULTCOYTFI-UHFFFAOYSA-N 2 2 256.273 0.010 20 0 CCADLP CC(=O)N1CCC[C@@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC001169566623 836357991 /nfs/dbraw/zinc/35/79/91/836357991.db2.gz ZRTGKQUAVNIBQK-CYBMUJFWSA-N 2 2 250.346 0.874 20 0 CCADLP CC(=O)N1CCC[C@H]([NH2+][C@@]2(C[NH3+])CN3CCC2CC3)C1 ZINC001169584960 836381753 /nfs/dbraw/zinc/38/17/53/836381753.db2.gz CFBOGMWCBOACCV-GJZGRUSLSA-N 2 2 280.416 0.010 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)C2([NH+](C)C)CCC2)oc1C ZINC001129352091 836492367 /nfs/dbraw/zinc/49/23/67/836492367.db2.gz VJFDYZLMZJARTD-UHFFFAOYSA-N 2 2 294.399 0.982 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCCC[NH2+]C[C@@H]1CCCOC1 ZINC001157257491 836899847 /nfs/dbraw/zinc/89/98/47/836899847.db2.gz ROFUKYBHYNWAIY-ZDUSSCGKSA-N 2 2 294.399 0.865 20 0 CCADLP CC[C@@H]1C[C@H](NC(=[NH2+])N2CC[NH+](C)CC2)CCO1 ZINC001170176553 837249171 /nfs/dbraw/zinc/24/91/71/837249171.db2.gz YKSONULXIZVNMS-VXGBXAGGSA-N 2 2 254.378 0.716 20 0 CCADLP C[NH+]1CC(CNc2[nH+]cccc2N2CC[NH2+]CC2)C1 ZINC001170251830 837283389 /nfs/dbraw/zinc/28/33/89/837283389.db2.gz CRTAAVDLJUILPG-UHFFFAOYSA-N 3 2 261.373 0.465 20 0 CCADLP CSc1cc(NCCOCCOCC[NH3+])nc(C)[nH+]1 ZINC001170505941 837865574 /nfs/dbraw/zinc/86/55/74/837865574.db2.gz VDAJCEGWMJAPTD-UHFFFAOYSA-N 2 2 286.401 0.911 20 0 CCADLP O=C(NCC[NH2+]Cc1nncs1)C12CCC[NH+]1CCC2 ZINC001130808660 837930050 /nfs/dbraw/zinc/93/00/50/837930050.db2.gz LEUOZMQVDMBMFJ-UHFFFAOYSA-N 2 2 295.412 0.372 20 0 CCADLP C[C@H](Nc1ccc(N(C)C)c[nH+]1)[C@@H]1C[NH2+]CCO1 ZINC001170569133 838135371 /nfs/dbraw/zinc/13/53/71/838135371.db2.gz ICFMMFPGHMTABG-JQWIXIFHSA-N 2 2 250.346 0.936 20 0 CCADLP CC[C@@H](C[NH2+]CCNC(=O)CCc1[nH+]ccn1C)OC ZINC001131652899 838167229 /nfs/dbraw/zinc/16/72/29/838167229.db2.gz MVWLRNRGGWYUJE-LBPRGKRZSA-N 2 2 282.388 0.484 20 0 CCADLP COCC[N@@H+]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132025122 838297106 /nfs/dbraw/zinc/29/71/06/838297106.db2.gz MEBJWWYIQDMRBG-QWHCGFSZSA-N 2 2 294.399 0.958 20 0 CCADLP COCC[N@H+]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001132025122 838297116 /nfs/dbraw/zinc/29/71/16/838297116.db2.gz MEBJWWYIQDMRBG-QWHCGFSZSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@@H]1C[C@H](C[NH2+]CCNC(=O)CCn2cc[nH+]c2)CCO1 ZINC001132082429 838314792 /nfs/dbraw/zinc/31/47/92/838314792.db2.gz NRLWPUGGWOVEDJ-ZIAGYGMSSA-N 2 2 294.399 0.794 20 0 CCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[NH+](CC(N)=O)C1 ZINC001132153312 838327223 /nfs/dbraw/zinc/32/72/23/838327223.db2.gz PZUQRQZGZCGWFM-NEPJUHHUSA-N 2 2 298.431 0.171 20 0 CCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[NH+](CC(N)=O)C1 ZINC001132153312 838327227 /nfs/dbraw/zinc/32/72/27/838327227.db2.gz PZUQRQZGZCGWFM-NEPJUHHUSA-N 2 2 298.431 0.171 20 0 CCADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(N)=O)C1 ZINC001132153312 838327231 /nfs/dbraw/zinc/32/72/31/838327231.db2.gz PZUQRQZGZCGWFM-NEPJUHHUSA-N 2 2 298.431 0.171 20 0 CCADLP C[C@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[N@@H+]1CCO ZINC001132222447 838339639 /nfs/dbraw/zinc/33/96/39/838339639.db2.gz XZCFWWIKTMDQOR-QWHCGFSZSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[N@H+]1CCO ZINC001132222447 838339645 /nfs/dbraw/zinc/33/96/45/838339645.db2.gz XZCFWWIKTMDQOR-QWHCGFSZSA-N 2 2 280.372 0.235 20 0 CCADLP C[NH+](C)CCC(=O)NCC[NH2+]Cc1ncc(C2CC2)o1 ZINC001133294724 838592379 /nfs/dbraw/zinc/59/23/79/838592379.db2.gz QQTOMFFKINZYLB-UHFFFAOYSA-N 2 2 280.372 0.710 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)C[N@H+]2CC[C@@H](C)C2)s1 ZINC001133845877 838747359 /nfs/dbraw/zinc/74/73/59/838747359.db2.gz PEHRSGUTPVKDJV-SNVBAGLBSA-N 2 2 297.428 0.394 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)s1 ZINC001133845877 838747367 /nfs/dbraw/zinc/74/73/67/838747367.db2.gz PEHRSGUTPVKDJV-SNVBAGLBSA-N 2 2 297.428 0.394 20 0 CCADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C[NH2+]CCO ZINC001185214849 844363598 /nfs/dbraw/zinc/36/35/98/844363598.db2.gz IMUYYWMZYPDKOT-NWDGAFQWSA-N 2 2 280.372 0.019 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C)o1 ZINC001133899562 838775297 /nfs/dbraw/zinc/77/52/97/838775297.db2.gz MCOKHLBCSHHSOM-UHFFFAOYSA-N 2 2 297.403 0.562 20 0 CCADLP CC[C@@H](C(=O)NCC[NH2+]Cc1nnc(C(C)C)[nH]1)[NH+](C)C ZINC001133982696 838802975 /nfs/dbraw/zinc/80/29/75/838802975.db2.gz IPADJXHTPQNICF-NSHDSACASA-N 2 2 296.419 0.474 20 0 CCADLP CC(C)OCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134045441 838842173 /nfs/dbraw/zinc/84/21/73/838842173.db2.gz GHYUEISNEXHXDC-CHWSQXEVSA-N 2 2 294.399 0.654 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)CC2CC[NH+](C)CC2)o1 ZINC001134775919 839071263 /nfs/dbraw/zinc/07/12/63/839071263.db2.gz CVONBWBHBFYFGC-UHFFFAOYSA-N 2 2 294.399 0.921 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@@H]1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001170777821 839105226 /nfs/dbraw/zinc/10/52/26/839105226.db2.gz DDTVSQPWIKTEDG-AAEUAGOBSA-N 2 2 262.357 0.674 20 0 CCADLP Cc1cnc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)C2)o1 ZINC001185384292 844406356 /nfs/dbraw/zinc/40/63/56/844406356.db2.gz AGRTVWPSSXULST-GFCCVEGCSA-N 2 2 280.372 0.625 20 0 CCADLP C[N@H+](CC(=O)NCCCn1cc[nH+]c1)[C@@H]1CCC[C@H]1O ZINC001135409268 839241629 /nfs/dbraw/zinc/24/16/29/839241629.db2.gz VWSMRPYKNHPKPG-CHWSQXEVSA-N 2 2 280.372 0.235 20 0 CCADLP C[N@@H+](CC(=O)NCCCn1cc[nH+]c1)[C@@H]1CCC[C@H]1O ZINC001135409268 839241640 /nfs/dbraw/zinc/24/16/40/839241640.db2.gz VWSMRPYKNHPKPG-CHWSQXEVSA-N 2 2 280.372 0.235 20 0 CCADLP CCc1noc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001185416282 844416515 /nfs/dbraw/zinc/41/65/15/844416515.db2.gz PWLXERSBQXELDA-LLVKDONJSA-N 2 2 295.387 0.274 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]Cc1ccc(Cl)nc1 ZINC001135760412 839393580 /nfs/dbraw/zinc/39/35/80/839393580.db2.gz NMKIIFVXYRTSSU-UHFFFAOYSA-N 2 2 293.758 0.907 20 0 CCADLP C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C[NH2+]CCO ZINC001279181785 839413666 /nfs/dbraw/zinc/41/36/66/839413666.db2.gz GPMYOFFTHNZSSR-QWHCGFSZSA-N 2 2 294.399 0.029 20 0 CCADLP COCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136032082 839499849 /nfs/dbraw/zinc/49/98/49/839499849.db2.gz VYYHPXZFFRIGLF-GHMZBOCLSA-N 2 2 282.388 0.780 20 0 CCADLP COCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136032083 839500529 /nfs/dbraw/zinc/50/05/29/839500529.db2.gz VYYHPXZFFRIGLF-MNOVXSKESA-N 2 2 282.388 0.780 20 0 CCADLP CCCOC[C@H](O)C[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246036251 839587062 /nfs/dbraw/zinc/58/70/62/839587062.db2.gz TXEQWFLKSVXEJX-KGLIPLIRSA-N 2 2 256.390 0.992 20 0 CCADLP CCCOC[C@H](O)C[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246036251 839587065 /nfs/dbraw/zinc/58/70/65/839587065.db2.gz TXEQWFLKSVXEJX-KGLIPLIRSA-N 2 2 256.390 0.992 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC001136323620 839589807 /nfs/dbraw/zinc/58/98/07/839589807.db2.gz IFERNTVDFBRJGT-LBPRGKRZSA-N 2 2 250.346 0.717 20 0 CCADLP COCC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001185789114 844459838 /nfs/dbraw/zinc/45/98/38/844459838.db2.gz SDXBUSISEYLZAF-KBPBESRZSA-N 2 2 294.399 0.604 20 0 CCADLP CCCCOC(=O)[C@H](C)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246194048 839672364 /nfs/dbraw/zinc/67/23/64/839672364.db2.gz QITUAIHMKAFQQY-RYUDHWBXSA-N 2 2 269.389 0.402 20 0 CCADLP COCCOCCOCC[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246206664 839679806 /nfs/dbraw/zinc/67/98/06/839679806.db2.gz KJSNMZQILJVLTG-QWHCGFSZSA-N 2 2 260.378 0.396 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[N@@H+](CC2CCC2)C[C@H]1O ZINC001090679546 839731198 /nfs/dbraw/zinc/73/11/98/839731198.db2.gz OPIUQEYVCNIXAH-QWHCGFSZSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[N@H+](CC2CCC2)C[C@H]1O ZINC001090679546 839731239 /nfs/dbraw/zinc/73/12/39/839731239.db2.gz OPIUQEYVCNIXAH-QWHCGFSZSA-N 2 2 292.383 0.304 20 0 CCADLP CC(C)C[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001090680040 839732148 /nfs/dbraw/zinc/73/21/48/839732148.db2.gz RWOMLFVNCGRYNF-NWDGAFQWSA-N 2 2 280.372 0.160 20 0 CCADLP CC(C)C[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001090680040 839732151 /nfs/dbraw/zinc/73/21/51/839732151.db2.gz RWOMLFVNCGRYNF-NWDGAFQWSA-N 2 2 280.372 0.160 20 0 CCADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001143353585 839861383 /nfs/dbraw/zinc/86/13/83/839861383.db2.gz JIBYZICEPFRFHE-CYBMUJFWSA-N 2 2 297.399 0.034 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001143353585 839861395 /nfs/dbraw/zinc/86/13/95/839861395.db2.gz JIBYZICEPFRFHE-CYBMUJFWSA-N 2 2 297.399 0.034 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@@H](N[C@H]2CCCC[C@H]2[NH3+])C[NH2+]1 ZINC001246478047 839865944 /nfs/dbraw/zinc/86/59/44/839865944.db2.gz MVRJHMZABYBHGL-NRWUCQMLSA-N 2 2 269.389 0.530 20 0 CCADLP CCOC(=O)C1(C)CCC([N@@H+]2C[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246558371 840011902 /nfs/dbraw/zinc/01/19/02/840011902.db2.gz QLVZQEPQSGKNMM-CBKZZEEASA-N 2 2 270.373 0.502 20 0 CCADLP CCOC(=O)C1(C)CCC([N@H+]2C[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246558371 840011907 /nfs/dbraw/zinc/01/19/07/840011907.db2.gz QLVZQEPQSGKNMM-CBKZZEEASA-N 2 2 270.373 0.502 20 0 CCADLP C[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@@H](O)CO3)CC2)C[NH2+]1 ZINC001246614515 840184464 /nfs/dbraw/zinc/18/44/64/840184464.db2.gz NINFJJZXXDUIAN-JHJVBQTASA-N 2 2 254.374 0.743 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)CC[N@@H+](C)CC)o1 ZINC001146719286 840355843 /nfs/dbraw/zinc/35/58/43/840355843.db2.gz OHUXOCKGLIOOHN-UHFFFAOYSA-N 2 2 283.376 0.180 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)CC[N@H+](C)CC)o1 ZINC001146719286 840355854 /nfs/dbraw/zinc/35/58/54/840355854.db2.gz OHUXOCKGLIOOHN-UHFFFAOYSA-N 2 2 283.376 0.180 20 0 CCADLP COCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146753846 840369341 /nfs/dbraw/zinc/36/93/41/840369341.db2.gz BLZPJUVLBOTOEM-RYUDHWBXSA-N 2 2 268.361 0.402 20 0 CCADLP C[C@@H](O)CCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186576104 844569545 /nfs/dbraw/zinc/56/95/45/844569545.db2.gz LYWDWJMVBLNZAV-VXGBXAGGSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)CCCCCC[NH3+] ZINC000037008704 841369705 /nfs/dbraw/zinc/36/97/05/841369705.db2.gz VLQABMGYVWEFAS-CYBMUJFWSA-N 2 2 271.405 0.733 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@H](O)C1 ZINC001099928284 841455087 /nfs/dbraw/zinc/45/50/87/841455087.db2.gz JPDXNMQYUKHCDA-QWHCGFSZSA-N 2 2 294.399 0.314 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@H](O)C1 ZINC001099928284 841455093 /nfs/dbraw/zinc/45/50/93/841455093.db2.gz JPDXNMQYUKHCDA-QWHCGFSZSA-N 2 2 294.399 0.314 20 0 CCADLP C[NH+]1C(C)(C)CC([NH2+][C@@H](CO)C(N)=O)CC1(C)C ZINC001171623037 841742651 /nfs/dbraw/zinc/74/26/51/841742651.db2.gz IHCLBLOSKBHFHA-JTQLQIEISA-N 2 2 257.378 0.074 20 0 CCADLP COCC[NH2+]C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001203337772 841783434 /nfs/dbraw/zinc/78/34/34/841783434.db2.gz TVXBUGFIBUBABA-UHFFFAOYSA-N 2 2 280.372 0.190 20 0 CCADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1c[nH+]cc1C[C@@H]([NH3+])CO)C2 ZINC001172106482 841849264 /nfs/dbraw/zinc/84/92/64/841849264.db2.gz PFAQUYXYBMIPRR-MQYQWHSLSA-N 3 2 278.400 0.933 20 0 CCADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1c[nH+]cc1C[C@@H]([NH3+])CO)C2 ZINC001172106482 841849271 /nfs/dbraw/zinc/84/92/71/841849271.db2.gz PFAQUYXYBMIPRR-MQYQWHSLSA-N 3 2 278.400 0.933 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172148042 841861042 /nfs/dbraw/zinc/86/10/42/841861042.db2.gz UOESMUUUVIHLHZ-RWMBFGLXSA-N 2 2 251.374 0.824 20 0 CCADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172148042 841861051 /nfs/dbraw/zinc/86/10/51/841861051.db2.gz UOESMUUUVIHLHZ-RWMBFGLXSA-N 2 2 251.374 0.824 20 0 CCADLP CN(C)c1ncc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cn1 ZINC001206163186 841892745 /nfs/dbraw/zinc/89/27/45/841892745.db2.gz AJSGDBJRGCBNSQ-RYUDHWBXSA-N 2 2 267.352 0.804 20 0 CCADLP CN(C)c1ncc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)cn1 ZINC001206163186 841892758 /nfs/dbraw/zinc/89/27/58/841892758.db2.gz AJSGDBJRGCBNSQ-RYUDHWBXSA-N 2 2 267.352 0.804 20 0 CCADLP CC1(C)C[C@@H]([NH+]2CCN(CC[NH+]3CCOCC3)CC2)CO1 ZINC001172287143 841918564 /nfs/dbraw/zinc/91/85/64/841918564.db2.gz JSGHBMTXTXOBJP-OAHLLOKOSA-N 2 2 297.443 0.504 20 0 CCADLP [NH3+][C@@H]1C[C@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172682208 841951650 /nfs/dbraw/zinc/95/16/50/841951650.db2.gz LSLKLDNAYJCFEV-MGPQQGTHSA-N 2 2 259.353 0.867 20 0 CCADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173735565 842134895 /nfs/dbraw/zinc/13/48/95/842134895.db2.gz UKWDIYULUKASDF-XQQFMLRXSA-N 2 2 264.377 0.841 20 0 CCADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173735565 842134899 /nfs/dbraw/zinc/13/48/99/842134899.db2.gz UKWDIYULUKASDF-XQQFMLRXSA-N 2 2 264.377 0.841 20 0 CCADLP Cc1[nH+]cn(-c2cnn(CC[NH+]3CCOCC3)c2)c1N ZINC001174489445 842187563 /nfs/dbraw/zinc/18/75/63/842187563.db2.gz AUNMQCWPMJNVBC-UHFFFAOYSA-N 2 2 276.344 0.292 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCCC[NH2+]Cc1cnsn1 ZINC001176125639 842329873 /nfs/dbraw/zinc/32/98/73/842329873.db2.gz HRJOXTNUQWGMDK-UHFFFAOYSA-N 2 2 294.384 0.339 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001176878488 842438101 /nfs/dbraw/zinc/43/81/01/842438101.db2.gz TVHBALDEWHUTGC-CQSZACIVSA-N 2 2 292.383 0.596 20 0 CCADLP CCNC(=O)[C@H](C)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001177175329 842516335 /nfs/dbraw/zinc/51/63/35/842516335.db2.gz IHWMCDHDNBMXMJ-JTQLQIEISA-N 2 2 250.346 0.762 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]Cc1ccc(F)cn1 ZINC001177401135 842575183 /nfs/dbraw/zinc/57/51/83/842575183.db2.gz QUWLGEGSLXSLMW-UHFFFAOYSA-N 2 2 291.330 0.713 20 0 CCADLP Cc1ncoc1C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177404554 842579084 /nfs/dbraw/zinc/57/90/84/842579084.db2.gz DJLKTLUFOBXVHV-UHFFFAOYSA-N 2 2 277.328 0.476 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]CC[C@H]1CCOC1 ZINC001177405581 842579439 /nfs/dbraw/zinc/57/94/39/842579439.db2.gz PBSYZNXNRVMQRH-ZDUSSCGKSA-N 2 2 280.372 0.406 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCc1c[nH+]c2n1CCC2 ZINC001177745929 842665865 /nfs/dbraw/zinc/66/58/65/842665865.db2.gz ZKPKHCZVSSBNJF-UHFFFAOYSA-N 2 2 259.313 0.651 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001177998074 842720215 /nfs/dbraw/zinc/72/02/15/842720215.db2.gz MVIOJHFPDUUVLQ-CYBMUJFWSA-N 2 2 292.383 0.666 20 0 CCADLP C[NH+](C)C[C@@H]1COCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001177995119 842734320 /nfs/dbraw/zinc/73/43/20/842734320.db2.gz QXGIGMOQEMVYOH-LLVKDONJSA-N 2 2 266.345 0.131 20 0 CCADLP C[C@H](O)CCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001179617446 843027173 /nfs/dbraw/zinc/02/71/73/843027173.db2.gz GIWDFQDDZRUEKT-OBJOEFQTSA-N 2 2 294.399 0.692 20 0 CCADLP C[C@H](O)CCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC001179783126 843042442 /nfs/dbraw/zinc/04/24/42/843042442.db2.gz CYHOZPJQMGVPQI-AVGNSLFASA-N 2 2 294.399 0.692 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001179929115 843083029 /nfs/dbraw/zinc/08/30/29/843083029.db2.gz CONMAQYAQRTPGF-OBJOEFQTSA-N 2 2 294.399 0.577 20 0 CCADLP CC[N@H+](C)[C@H]1CCN(C(=O)/C=C(\C)C[NH+]2CCOCC2)C1 ZINC001181838603 843625565 /nfs/dbraw/zinc/62/55/65/843625565.db2.gz FRCBYMKTAZCCIC-GOFCXVBSSA-N 2 2 295.427 0.818 20 0 CCADLP CC[N@@H+](C)[C@H]1CCN(C(=O)/C=C(\C)C[NH+]2CCOCC2)C1 ZINC001181838603 843625569 /nfs/dbraw/zinc/62/55/69/843625569.db2.gz FRCBYMKTAZCCIC-GOFCXVBSSA-N 2 2 295.427 0.818 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1)c1csnn1 ZINC001151066792 843631488 /nfs/dbraw/zinc/63/14/88/843631488.db2.gz YWSZKDMVHYBRCS-VHSXEESVSA-N 2 2 283.401 0.257 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1)c1csnn1 ZINC001151066792 843631484 /nfs/dbraw/zinc/63/14/84/843631484.db2.gz YWSZKDMVHYBRCS-VHSXEESVSA-N 2 2 283.401 0.257 20 0 CCADLP Cn1cc[nH+]c1CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001182015425 843694008 /nfs/dbraw/zinc/69/40/08/843694008.db2.gz OLYRRZNJCSGPHX-GFCCVEGCSA-N 2 2 262.357 0.421 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[NH2+]Cc1ncc(C)cn1 ZINC001151114273 843762596 /nfs/dbraw/zinc/76/25/96/843762596.db2.gz HVZFXBKMSJCCTQ-UHFFFAOYSA-N 2 2 288.355 0.196 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC001187291641 844687432 /nfs/dbraw/zinc/68/74/32/844687432.db2.gz YONTWLFXVWZVFG-LLVKDONJSA-N 2 2 297.428 0.570 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC001187291641 844687438 /nfs/dbraw/zinc/68/74/38/844687438.db2.gz YONTWLFXVWZVFG-LLVKDONJSA-N 2 2 297.428 0.570 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001187523331 844734317 /nfs/dbraw/zinc/73/43/17/844734317.db2.gz YQVGKSSJSNVWFP-QWHCGFSZSA-N 2 2 294.399 0.578 20 0 CCADLP COCC[N@H+](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001190546264 845424386 /nfs/dbraw/zinc/42/43/86/845424386.db2.gz DFCVZDQYJZVPBI-ZDUSSCGKSA-N 2 2 280.372 0.521 20 0 CCADLP COCC[N@@H+](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001190546264 845424390 /nfs/dbraw/zinc/42/43/90/845424390.db2.gz DFCVZDQYJZVPBI-ZDUSSCGKSA-N 2 2 280.372 0.521 20 0 CCADLP COCC[N@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001190546264 845424396 /nfs/dbraw/zinc/42/43/96/845424396.db2.gz DFCVZDQYJZVPBI-ZDUSSCGKSA-N 2 2 280.372 0.521 20 0 CCADLP COCC[N@@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001190546264 845424398 /nfs/dbraw/zinc/42/43/98/845424398.db2.gz DFCVZDQYJZVPBI-ZDUSSCGKSA-N 2 2 280.372 0.521 20 0 CCADLP N=C(NC(=O)c1cc2c[nH+]ccc2[nH]1)SCC[NH3+] ZINC001151976953 845744371 /nfs/dbraw/zinc/74/43/71/845744371.db2.gz XWQIHOXAYHIJDH-UHFFFAOYSA-N 2 2 263.326 0.919 20 0 CCADLP CC(C)=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192580231 845878154 /nfs/dbraw/zinc/87/81/54/845878154.db2.gz AQXZDJJPXUOULH-CHWSQXEVSA-N 2 2 292.383 0.470 20 0 CCADLP CC(C)=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192580231 845878157 /nfs/dbraw/zinc/87/81/57/845878157.db2.gz AQXZDJJPXUOULH-CHWSQXEVSA-N 2 2 292.383 0.470 20 0 CCADLP COCC[N@H+](C)[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193696051 846146850 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JLXJDLQYTNQHKF-RYUDHWBXSA-N 2 2 258.362 0.768 20 0 CCADLP c1cn(CCC[N@@H+]2CC[C@H](C3OCCO3)C2)c[nH+]1 ZINC000719008595 849286578 /nfs/dbraw/zinc/28/65/78/849286578.db2.gz CUJHEHITMLQMCY-LBPRGKRZSA-N 2 2 251.330 0.968 20 0 CCADLP c1cn(CCC[N@H+]2CC[C@H](C3OCCO3)C2)c[nH+]1 ZINC000719008595 849286582 /nfs/dbraw/zinc/28/65/82/849286582.db2.gz CUJHEHITMLQMCY-LBPRGKRZSA-N 2 2 251.330 0.968 20 0 CCADLP COC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1 ZINC001114652459 849346226 /nfs/dbraw/zinc/34/62/26/849346226.db2.gz NJJUZSOGJZGNEA-CXTNEJHOSA-N 2 2 292.383 0.355 20 0 CCADLP COC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1 ZINC001114652459 849346231 /nfs/dbraw/zinc/34/62/31/849346231.db2.gz NJJUZSOGJZGNEA-CXTNEJHOSA-N 2 2 292.383 0.355 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](CCN2CCOC2=O)C[C@H]1C(F)(F)F ZINC000720871995 849554598 /nfs/dbraw/zinc/55/45/98/849554598.db2.gz NEFQBWWWPMGJNL-DTWKUNHWSA-N 2 2 281.278 0.508 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CCN2CCOC2=O)C[C@H]1C(F)(F)F ZINC000720871995 849554605 /nfs/dbraw/zinc/55/46/05/849554605.db2.gz NEFQBWWWPMGJNL-DTWKUNHWSA-N 2 2 281.278 0.508 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038417900 849887493 /nfs/dbraw/zinc/88/74/93/849887493.db2.gz VFXHTDLLFFKUFU-CMPLNLGQSA-N 2 2 288.351 0.748 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038417900 849887499 /nfs/dbraw/zinc/88/74/99/849887499.db2.gz VFXHTDLLFFKUFU-CMPLNLGQSA-N 2 2 288.351 0.748 20 0 CCADLP CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001039350507 850177982 /nfs/dbraw/zinc/17/79/82/850177982.db2.gz GLGAPZUUVXGWIG-ILXRZTDVSA-N 2 2 295.427 0.792 20 0 CCADLP CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001039350507 850177986 /nfs/dbraw/zinc/17/79/86/850177986.db2.gz GLGAPZUUVXGWIG-ILXRZTDVSA-N 2 2 295.427 0.792 20 0 CCADLP CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001039350507 850177989 /nfs/dbraw/zinc/17/79/89/850177989.db2.gz GLGAPZUUVXGWIG-ILXRZTDVSA-N 2 2 295.427 0.792 20 0 CCADLP CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001039350507 850177997 /nfs/dbraw/zinc/17/79/97/850177997.db2.gz GLGAPZUUVXGWIG-ILXRZTDVSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]1C[N@H+](Cc2nnn(C(C)(C)C)n2)C[C@H]1CC[NH3+] ZINC000723891283 850194080 /nfs/dbraw/zinc/19/40/80/850194080.db2.gz LXPYZHKDCNPSHL-GHMZBOCLSA-N 2 2 266.393 0.845 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2nnn(C(C)(C)C)n2)C[C@H]1CC[NH3+] ZINC000723891283 850194101 /nfs/dbraw/zinc/19/41/01/850194101.db2.gz LXPYZHKDCNPSHL-GHMZBOCLSA-N 2 2 266.393 0.845 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@]2(CC[N@@H+](CCCO)C2)C1 ZINC001041855936 850512197 /nfs/dbraw/zinc/51/21/97/850512197.db2.gz UEYRAFXXNYFDCI-OAHLLOKOSA-N 2 2 292.383 0.190 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@]2(CC[N@H+](CCCO)C2)C1 ZINC001041855936 850512210 /nfs/dbraw/zinc/51/22/10/850512210.db2.gz UEYRAFXXNYFDCI-OAHLLOKOSA-N 2 2 292.383 0.190 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]2CC[N@@H+](CCCO)[C@@H]2C1 ZINC001042384213 850623033 /nfs/dbraw/zinc/62/30/33/850623033.db2.gz JVDOIJMJFKVKKO-UONOGXRCSA-N 2 2 292.383 0.188 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]2CC[N@H+](CCCO)[C@@H]2C1 ZINC001042384213 850623036 /nfs/dbraw/zinc/62/30/36/850623036.db2.gz JVDOIJMJFKVKKO-UONOGXRCSA-N 2 2 292.383 0.188 20 0 CCADLP C[C@@H](O)C[NH+]1CC(N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001042722904 850744805 /nfs/dbraw/zinc/74/48/05/850744805.db2.gz COIWKROGPRCASE-CYBMUJFWSA-N 2 2 297.443 0.774 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](C[C@@H](C)O)C1 ZINC001042848182 850768591 /nfs/dbraw/zinc/76/85/91/850768591.db2.gz MVXJXQFHSLVEAX-OCCSQVGLSA-N 2 2 283.416 0.384 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](C[C@@H](C)O)C1 ZINC001042848182 850768595 /nfs/dbraw/zinc/76/85/95/850768595.db2.gz MVXJXQFHSLVEAX-OCCSQVGLSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@@H]1CCC[N@H+]1CC(=O)N(C)C1C[NH+](CCCF)C1 ZINC001043870026 850954579 /nfs/dbraw/zinc/95/45/79/850954579.db2.gz PZLSKXSGEURVQH-GFCCVEGCSA-N 2 2 271.380 0.973 20 0 CCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)C1C[NH+](CCCF)C1 ZINC001043870026 850954572 /nfs/dbraw/zinc/95/45/72/850954572.db2.gz PZLSKXSGEURVQH-GFCCVEGCSA-N 2 2 271.380 0.973 20 0 CCADLP COC[C@@H](C)[NH+]1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001044296719 851068662 /nfs/dbraw/zinc/06/86/62/851068662.db2.gz KESMCIJXSOSPQF-GFCCVEGCSA-N 2 2 269.389 0.260 20 0 CCADLP CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046216106 851427187 /nfs/dbraw/zinc/42/71/87/851427187.db2.gz YEBAWHJBONSGTG-TZMCWYRMSA-N 2 2 269.389 0.308 20 0 CCADLP CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046216106 851427191 /nfs/dbraw/zinc/42/71/91/851427191.db2.gz YEBAWHJBONSGTG-TZMCWYRMSA-N 2 2 269.389 0.308 20 0 CCADLP CCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001046216106 851427194 /nfs/dbraw/zinc/42/71/94/851427194.db2.gz YEBAWHJBONSGTG-TZMCWYRMSA-N 2 2 269.389 0.308 20 0 CCADLP CCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001046216106 851427198 /nfs/dbraw/zinc/42/71/98/851427198.db2.gz YEBAWHJBONSGTG-TZMCWYRMSA-N 2 2 269.389 0.308 20 0 CCADLP CC(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046214004 851427434 /nfs/dbraw/zinc/42/74/34/851427434.db2.gz AZJOFNZQKZTJAL-HIFRSBDPSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046214004 851427442 /nfs/dbraw/zinc/42/74/42/851427442.db2.gz AZJOFNZQKZTJAL-HIFRSBDPSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)C[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001046214004 851427448 /nfs/dbraw/zinc/42/74/48/851427448.db2.gz AZJOFNZQKZTJAL-HIFRSBDPSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)C[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001046214004 851427456 /nfs/dbraw/zinc/42/74/56/851427456.db2.gz AZJOFNZQKZTJAL-HIFRSBDPSA-N 2 2 283.416 0.554 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@]2(C)CC[N@@H+](CCCF)C2)C1 ZINC001046218822 851428454 /nfs/dbraw/zinc/42/84/54/851428454.db2.gz LMFQDVXUURTIEO-GXTWGEPZSA-N 2 2 287.379 0.257 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@]2(C)CC[NH+](CCCF)C2)C1 ZINC001046218822 851428443 /nfs/dbraw/zinc/42/84/43/851428443.db2.gz LMFQDVXUURTIEO-GXTWGEPZSA-N 2 2 287.379 0.257 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N[C@]2(C)CC[NH+](CCCF)C2)C1 ZINC001046218822 851428447 /nfs/dbraw/zinc/42/84/47/851428447.db2.gz LMFQDVXUURTIEO-GXTWGEPZSA-N 2 2 287.379 0.257 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@]2(C)CC[N@H+](CCCF)C2)C1 ZINC001046218822 851428450 /nfs/dbraw/zinc/42/84/50/851428450.db2.gz LMFQDVXUURTIEO-GXTWGEPZSA-N 2 2 287.379 0.257 20 0 CCADLP CC[N@@H+]1CC[C@](C)(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001046432134 851498896 /nfs/dbraw/zinc/49/88/96/851498896.db2.gz JWCCGFSRBQKZJC-AWEZNQCLSA-N 2 2 280.372 0.950 20 0 CCADLP CC[N@H+]1CC[C@](C)(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001046432134 851498902 /nfs/dbraw/zinc/49/89/02/851498902.db2.gz JWCCGFSRBQKZJC-AWEZNQCLSA-N 2 2 280.372 0.950 20 0 CCADLP CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001047611398 851835795 /nfs/dbraw/zinc/83/57/95/851835795.db2.gz BQNRASIDJCFZKA-STQMWFEESA-N 2 2 280.372 0.174 20 0 CCADLP CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001047611398 851835799 /nfs/dbraw/zinc/83/57/99/851835799.db2.gz BQNRASIDJCFZKA-STQMWFEESA-N 2 2 280.372 0.174 20 0 CCADLP CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001048036935 851885876 /nfs/dbraw/zinc/88/58/76/851885876.db2.gz HBCFFXJKFXQCCB-RYUDHWBXSA-N 2 2 264.373 0.809 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001048853655 852085360 /nfs/dbraw/zinc/08/53/60/852085360.db2.gz NZVOXTYZZSFIAP-UPJWGTAASA-N 2 2 292.383 0.113 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001048853655 852085363 /nfs/dbraw/zinc/08/53/63/852085363.db2.gz NZVOXTYZZSFIAP-UPJWGTAASA-N 2 2 292.383 0.113 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001048853655 852085366 /nfs/dbraw/zinc/08/53/66/852085366.db2.gz NZVOXTYZZSFIAP-UPJWGTAASA-N 2 2 292.383 0.113 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001048853655 852085372 /nfs/dbraw/zinc/08/53/72/852085372.db2.gz NZVOXTYZZSFIAP-UPJWGTAASA-N 2 2 292.383 0.113 20 0 CCADLP COC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001096656876 852421302 /nfs/dbraw/zinc/42/13/02/852421302.db2.gz TUBAWAVCZKLGHN-CRWXNKLISA-N 2 2 292.383 0.640 20 0 CCADLP COC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001096656876 852421305 /nfs/dbraw/zinc/42/13/05/852421305.db2.gz TUBAWAVCZKLGHN-CRWXNKLISA-N 2 2 292.383 0.640 20 0 CCADLP C[N@@H+]1CCC[C@H](N[C@]2(C[NH3+])C[NH+]3CCC2CC3)CC1 ZINC001254509429 852613094 /nfs/dbraw/zinc/61/30/94/852613094.db2.gz NGDVIXVPKCXJKP-LSDHHAIUSA-N 3 2 266.433 0.483 20 0 CCADLP C[N@H+]1CCC[C@H](N[C@]2(C[NH3+])C[NH+]3CCC2CC3)CC1 ZINC001254509429 852613099 /nfs/dbraw/zinc/61/30/99/852613099.db2.gz NGDVIXVPKCXJKP-LSDHHAIUSA-N 3 2 266.433 0.483 20 0 CCADLP CC[C@H](C(=O)N1CCOC2(C[NH+](CC3CC3)C2)C1)[NH+](C)C ZINC001053306454 852725606 /nfs/dbraw/zinc/72/56/06/852725606.db2.gz OLSLTOPJVQJGPF-CQSZACIVSA-N 2 2 295.427 0.650 20 0 CCADLP CC(C)[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)CCO2 ZINC001053429976 852743538 /nfs/dbraw/zinc/74/35/38/852743538.db2.gz FMYBPEXCISCHNA-UONOGXRCSA-N 2 2 295.427 0.506 20 0 CCADLP CC(C)[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)CCO2 ZINC001053429976 852743541 /nfs/dbraw/zinc/74/35/41/852743541.db2.gz FMYBPEXCISCHNA-UONOGXRCSA-N 2 2 295.427 0.506 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1COC2(C[NH+](CC)C2)C1 ZINC001053821902 852828469 /nfs/dbraw/zinc/82/84/69/852828469.db2.gz ANDHQSYLXFWZDE-UONOGXRCSA-N 2 2 295.427 0.840 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1COC2(C[NH+](CC)C2)C1 ZINC001053821902 852828472 /nfs/dbraw/zinc/82/84/72/852828472.db2.gz ANDHQSYLXFWZDE-UONOGXRCSA-N 2 2 295.427 0.840 20 0 CCADLP CCC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1c[nH+]cc1C)CO2 ZINC001053871435 852836073 /nfs/dbraw/zinc/83/60/73/852836073.db2.gz FYHZFNHRXXYRLV-ZDUSSCGKSA-N 2 2 292.383 0.561 20 0 CCADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)C1CC[NH+](C)CC1)CO2 ZINC001053913891 852845408 /nfs/dbraw/zinc/84/54/08/852845408.db2.gz ZWKDLDDAQOIGTP-CYBMUJFWSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1[NH2+]CCF ZINC001054828880 853020817 /nfs/dbraw/zinc/02/08/17/853020817.db2.gz CBAZFZDUFIYWOK-MFKMUULPSA-N 2 2 298.362 0.756 20 0 CCADLP C[C@@H](O)C[NH+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001050681451 853412970 /nfs/dbraw/zinc/41/29/70/853412970.db2.gz JCIJHNNGHHHKEI-GFCCVEGCSA-N 2 2 292.383 0.257 20 0 CCADLP C[C@H](O)C[NH+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001050681452 853413077 /nfs/dbraw/zinc/41/30/77/853413077.db2.gz JCIJHNNGHHHKEI-LBPRGKRZSA-N 2 2 292.383 0.257 20 0 CCADLP CC[NH+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC001050731136 853420515 /nfs/dbraw/zinc/42/05/15/853420515.db2.gz VUACCMZDGAPKGC-UHFFFAOYSA-N 2 2 276.384 0.907 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001050923382 853486442 /nfs/dbraw/zinc/48/64/42/853486442.db2.gz PAEGCQQKBFKXOD-FRRDWIJNSA-N 2 2 269.389 0.164 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001050923382 853486446 /nfs/dbraw/zinc/48/64/46/853486446.db2.gz PAEGCQQKBFKXOD-FRRDWIJNSA-N 2 2 269.389 0.164 20 0 CCADLP CC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001050923382 853486451 /nfs/dbraw/zinc/48/64/51/853486451.db2.gz PAEGCQQKBFKXOD-FRRDWIJNSA-N 2 2 269.389 0.164 20 0 CCADLP CC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001050923382 853486455 /nfs/dbraw/zinc/48/64/55/853486455.db2.gz PAEGCQQKBFKXOD-FRRDWIJNSA-N 2 2 269.389 0.164 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001050953544 853493917 /nfs/dbraw/zinc/49/39/17/853493917.db2.gz HIAURYOHWGXROE-CABCVRRESA-N 2 2 297.443 0.801 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001050953544 853493920 /nfs/dbraw/zinc/49/39/20/853493920.db2.gz HIAURYOHWGXROE-CABCVRRESA-N 2 2 297.443 0.801 20 0 CCADLP CC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001050953544 853493924 /nfs/dbraw/zinc/49/39/24/853493924.db2.gz HIAURYOHWGXROE-CABCVRRESA-N 2 2 297.443 0.801 20 0 CCADLP CC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001050953544 853493929 /nfs/dbraw/zinc/49/39/29/853493929.db2.gz HIAURYOHWGXROE-CABCVRRESA-N 2 2 297.443 0.801 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1COCC[NH+]1CC1CC1 ZINC001050984179 853500631 /nfs/dbraw/zinc/50/06/31/853500631.db2.gz ZENCRICFGZHVCL-GJZGRUSLSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1COCC[NH+]1CC1CC1 ZINC001050984179 853500635 /nfs/dbraw/zinc/50/06/35/853500635.db2.gz ZENCRICFGZHVCL-GJZGRUSLSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1COCC[N@@H+]1CC1CC1 ZINC001050984179 853500638 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Cc1noc([C@@H](C)[NH2+][C@H](C)CNC(=O)CC[NH+](C)C)n1 ZINC001491567173 904099649 /nfs/dbraw/zinc/09/96/49/904099649.db2.gz DGDGGJLGJPCGRH-NXEZZACHSA-N 2 2 283.376 0.485 20 0 CCADLP Cc1noc([C@H](C)[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)n1 ZINC001491567175 904100311 /nfs/dbraw/zinc/10/03/11/904100311.db2.gz DGDGGJLGJPCGRH-UWVGGRQHSA-N 2 2 283.376 0.485 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001377412663 904858982 /nfs/dbraw/zinc/85/89/82/904858982.db2.gz HMPOUKDNABWJKP-TZMCWYRMSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001377412663 904858994 /nfs/dbraw/zinc/85/89/94/904858994.db2.gz HMPOUKDNABWJKP-TZMCWYRMSA-N 2 2 294.399 0.314 20 0 CCADLP CCOCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC001284029523 905123262 /nfs/dbraw/zinc/12/32/62/905123262.db2.gz FBOUDBHHCFCUJI-CHWSQXEVSA-N 2 2 280.372 0.499 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001377819146 905171909 /nfs/dbraw/zinc/17/19/09/905171909.db2.gz LZYFJSLXZJTDMD-DGCLKSJQSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001377819146 905171917 /nfs/dbraw/zinc/17/19/17/905171917.db2.gz LZYFJSLXZJTDMD-DGCLKSJQSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001377819146 905171928 /nfs/dbraw/zinc/17/19/28/905171928.db2.gz LZYFJSLXZJTDMD-DGCLKSJQSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001377819146 905171934 /nfs/dbraw/zinc/17/19/34/905171934.db2.gz LZYFJSLXZJTDMD-DGCLKSJQSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)Cc1ccnn1C ZINC001378028233 905358624 /nfs/dbraw/zinc/35/86/24/905358624.db2.gz ZXELNSCUMYQWCS-TZMCWYRMSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)Cc1ccnn1C ZINC001378028233 905358641 /nfs/dbraw/zinc/35/86/41/905358641.db2.gz ZXELNSCUMYQWCS-TZMCWYRMSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@H+](C)Cc1ccnn1C ZINC001378028233 905358659 /nfs/dbraw/zinc/35/86/59/905358659.db2.gz ZXELNSCUMYQWCS-TZMCWYRMSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@@H+](C)Cc1ccnn1C ZINC001378028233 905358678 /nfs/dbraw/zinc/35/86/78/905358678.db2.gz ZXELNSCUMYQWCS-TZMCWYRMSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@@H](O)CCC[N@H+](C)[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001378195509 905486603 /nfs/dbraw/zinc/48/66/03/905486603.db2.gz YFKDUAKBHNMQQU-QWHCGFSZSA-N 2 2 296.415 0.560 20 0 CCADLP C[C@@H](O)CCC[N@@H+](C)[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001378195509 905486619 /nfs/dbraw/zinc/48/66/19/905486619.db2.gz YFKDUAKBHNMQQU-QWHCGFSZSA-N 2 2 296.415 0.560 20 0 CCADLP COC[C@H](C)[NH2+]C[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001378621996 905714793 /nfs/dbraw/zinc/71/47/93/905714793.db2.gz HZFWIGHPUKEQDH-QWRGUYRKSA-N 2 2 282.388 0.637 20 0 CCADLP CC[C@H](C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001378666015 905743877 /nfs/dbraw/zinc/74/38/77/905743877.db2.gz FSMGCSAIRUZBGA-KBPBESRZSA-N 2 2 294.399 0.746 20 0 CCADLP CC[C@H](C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001378666015 905743900 /nfs/dbraw/zinc/74/39/00/905743900.db2.gz FSMGCSAIRUZBGA-KBPBESRZSA-N 2 2 294.399 0.746 20 0 CCADLP CC(C)C[C@H](C[NH2+]C[C@H](C)O)NC(=O)Cc1c[nH+]cn1C ZINC001378878558 905867275 /nfs/dbraw/zinc/86/72/75/905867275.db2.gz KNONXXFRWBBURK-QWHCGFSZSA-N 2 2 296.415 0.464 20 0 CCADLP Nc1cc[nH+]c(CNC(=O)/C=C\C[NH+]2CCOCC2)c1 ZINC001337095906 921186419 /nfs/dbraw/zinc/18/64/19/921186419.db2.gz WTPVRFTXYXOKPM-UPHRSURJSA-N 2 2 276.340 0.168 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cnon1 ZINC001379186123 906049902 /nfs/dbraw/zinc/04/99/02/906049902.db2.gz FVZPWOGDBQKHEY-SNVBAGLBSA-N 2 2 292.343 0.211 20 0 CCADLP CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CN(C)CCN2C)CC1 ZINC000829179533 906164642 /nfs/dbraw/zinc/16/46/42/906164642.db2.gz HCWXYQCKWHNWSI-HIFRSBDPSA-N 2 2 268.449 0.695 20 0 CCADLP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@H](C)c1nc(C)no1 ZINC001379447244 906246220 /nfs/dbraw/zinc/24/62/20/906246220.db2.gz OGSPRAQRIGQKEY-GHMZBOCLSA-N 2 2 297.403 0.875 20 0 CCADLP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@H](C)c1nc(C)no1 ZINC001379447244 906246239 /nfs/dbraw/zinc/24/62/39/906246239.db2.gz OGSPRAQRIGQKEY-GHMZBOCLSA-N 2 2 297.403 0.875 20 0 CCADLP C[NH+](C)CCC[C@@H]1CN(c2cc(N)nc[nH+]2)CCO1 ZINC001337220389 921219651 /nfs/dbraw/zinc/21/96/51/921219651.db2.gz LAWVOHMRQOGBAR-LLVKDONJSA-N 2 2 265.361 0.606 20 0 CCADLP CC[C@H](C(=O)NCC1([NH2+]Cc2nonc2C)CC1)[NH+](C)C ZINC001380098518 906639046 /nfs/dbraw/zinc/63/90/46/906639046.db2.gz BJCHZRDRODSRQX-GFCCVEGCSA-N 2 2 295.387 0.457 20 0 CCADLP C[NH+](C)CC1(C(=O)NCC2([NH2+]Cc3ccon3)CC2)CC1 ZINC001380128595 906644997 /nfs/dbraw/zinc/64/49/97/906644997.db2.gz BVEMSIGYFBLOJF-UHFFFAOYSA-N 2 2 292.383 0.755 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+]C[C@@H]2CCCCO2)CC1 ZINC001380152047 906658071 /nfs/dbraw/zinc/65/80/71/906658071.db2.gz LOBBPKWVWKMIBL-LBPRGKRZSA-N 2 2 292.383 0.760 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCO)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001380267290 906706233 /nfs/dbraw/zinc/70/62/33/906706233.db2.gz LDBAVZJYFHAFKN-UONOGXRCSA-N 2 2 294.399 0.625 20 0 CCADLP CN(CCC[N@H+](C)C[C@H]1CCOC1)C(=O)Cn1cc[nH+]c1 ZINC001380989849 907034049 /nfs/dbraw/zinc/03/40/49/907034049.db2.gz YQAQINDBTVEQTP-CQSZACIVSA-N 2 2 294.399 0.700 20 0 CCADLP CN(CCC[N@@H+](C)C[C@H]1CCOC1)C(=O)Cn1cc[nH+]c1 ZINC001380989849 907034070 /nfs/dbraw/zinc/03/40/70/907034070.db2.gz YQAQINDBTVEQTP-CQSZACIVSA-N 2 2 294.399 0.700 20 0 CCADLP C[C@@H](CNc1cc[nH+]c(N)n1)N1CC[NH+](C)CC1 ZINC001337836741 921297506 /nfs/dbraw/zinc/29/75/06/921297506.db2.gz FQHCELANZLGIJK-JTQLQIEISA-N 2 2 250.350 0.107 20 0 CCADLP C[C@@H](Nc1cc[nH+]c(N)n1)[C@H](C)[NH+]1CCOCC1 ZINC001337851379 921298834 /nfs/dbraw/zinc/29/88/34/921298834.db2.gz NORTXEDHRGJYIQ-ZJUUUORDSA-N 2 2 251.334 0.580 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001381962927 907470862 /nfs/dbraw/zinc/47/08/62/907470862.db2.gz OTJQVIUABZAFNK-SYLRKERUSA-N 2 2 292.383 0.378 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001381962927 907470876 /nfs/dbraw/zinc/47/08/76/907470876.db2.gz OTJQVIUABZAFNK-SYLRKERUSA-N 2 2 292.383 0.378 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CC[C@@H]1CCCO1 ZINC001491637130 907474625 /nfs/dbraw/zinc/47/46/25/907474625.db2.gz IJSFPUGHISYSJZ-OCCSQVGLSA-N 2 2 294.399 0.626 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1ccns1 ZINC001491642610 907477038 /nfs/dbraw/zinc/47/70/38/907477038.db2.gz ZBLNCXHFODJOOZ-JTQLQIEISA-N 2 2 293.396 0.714 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+]CCn1cccn1 ZINC001491650026 907484447 /nfs/dbraw/zinc/48/44/47/907484447.db2.gz KALDQAGQSQZZHT-LLVKDONJSA-N 2 2 290.371 0.252 20 0 CCADLP COCCOC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC001309671028 908469486 /nfs/dbraw/zinc/46/94/86/908469486.db2.gz NAMPDVDDTOHTKE-UHFFFAOYSA-N 2 2 261.366 0.243 20 0 CCADLP COCCOC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC001309671028 908469526 /nfs/dbraw/zinc/46/95/26/908469526.db2.gz NAMPDVDDTOHTKE-UHFFFAOYSA-N 2 2 261.366 0.243 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001417628375 921468289 /nfs/dbraw/zinc/46/82/89/921468289.db2.gz QDASKPLGOBDGHZ-ZIAGYGMSSA-N 2 2 292.383 0.249 20 0 CCADLP COCC[NH2+][C@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001317395743 909173890 /nfs/dbraw/zinc/17/38/90/909173890.db2.gz JZOSPFFWOYANNQ-IJLUTSLNSA-N 2 2 280.372 0.644 20 0 CCADLP COCC[NH2+][C@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001317395743 909173895 /nfs/dbraw/zinc/17/38/95/909173895.db2.gz JZOSPFFWOYANNQ-IJLUTSLNSA-N 2 2 280.372 0.644 20 0 CCADLP CN(CC[NH2+]C[C@@H]1C[C@]12CCOC2)C(=O)Cc1[nH]cc[nH+]1 ZINC001317642622 909438461 /nfs/dbraw/zinc/43/84/61/909438461.db2.gz SRRQULXGUWOUHA-WFASDCNBSA-N 2 2 292.383 0.427 20 0 CCADLP CC(C)(O)C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001338520051 921498290 /nfs/dbraw/zinc/49/82/90/921498290.db2.gz ISTALVZLBCWOSU-NEPJUHHUSA-N 2 2 258.406 0.971 20 0 CCADLP CC(C)(O)C[C@H](O)C[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001338520051 921498298 /nfs/dbraw/zinc/49/82/98/921498298.db2.gz ISTALVZLBCWOSU-NEPJUHHUSA-N 2 2 258.406 0.971 20 0 CCADLP C[C@@H](NC(=O)c1ccc(C[NH+](C)C)o1)[C@H]1C[N@H+](C)CCO1 ZINC001417669479 921515626 /nfs/dbraw/zinc/51/56/26/921515626.db2.gz ZGBCNNPELOOQCE-BXUZGUMPSA-N 2 2 295.383 0.790 20 0 CCADLP C[C@@H](NC(=O)c1ccc(C[NH+](C)C)o1)[C@H]1C[N@@H+](C)CCO1 ZINC001417669479 921515640 /nfs/dbraw/zinc/51/56/40/921515640.db2.gz ZGBCNNPELOOQCE-BXUZGUMPSA-N 2 2 295.383 0.790 20 0 CCADLP COCCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001318257213 909682027 /nfs/dbraw/zinc/68/20/27/909682027.db2.gz HNXVXJLFSVBJAE-ZDUSSCGKSA-N 2 2 280.372 0.569 20 0 CCADLP COCCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001318257213 909682032 /nfs/dbraw/zinc/68/20/32/909682032.db2.gz HNXVXJLFSVBJAE-ZDUSSCGKSA-N 2 2 280.372 0.569 20 0 CCADLP COCCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001318257213 909682038 /nfs/dbraw/zinc/68/20/38/909682038.db2.gz HNXVXJLFSVBJAE-ZDUSSCGKSA-N 2 2 280.372 0.569 20 0 CCADLP COCCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001318257213 909682045 /nfs/dbraw/zinc/68/20/45/909682045.db2.gz HNXVXJLFSVBJAE-ZDUSSCGKSA-N 2 2 280.372 0.569 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001390007352 910183484 /nfs/dbraw/zinc/18/34/84/910183484.db2.gz OPAJBURTCTZBOZ-LPWJVIDDSA-N 2 2 280.372 0.452 20 0 CCADLP C[C@H](O)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001390136927 910237403 /nfs/dbraw/zinc/23/74/03/910237403.db2.gz VBJYDQWNMZPSFY-QWHCGFSZSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@H](O)C[N@H+]1CCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001390136927 910237427 /nfs/dbraw/zinc/23/74/27/910237427.db2.gz VBJYDQWNMZPSFY-QWHCGFSZSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cnsn1 ZINC001390305971 910326944 /nfs/dbraw/zinc/32/69/44/910326944.db2.gz IVLUPOFOHLAQMI-KOLCDFICSA-N 2 2 283.401 0.227 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cnsn1 ZINC001390305971 910326954 /nfs/dbraw/zinc/32/69/54/910326954.db2.gz IVLUPOFOHLAQMI-KOLCDFICSA-N 2 2 283.401 0.227 20 0 CCADLP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]Cc1cnon1 ZINC001390444300 910424836 /nfs/dbraw/zinc/42/48/36/910424836.db2.gz VLZRQCCNRAZSII-NSHDSACASA-N 2 2 293.371 0.292 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1nncs1)[NH+](C)C ZINC001390511334 910481070 /nfs/dbraw/zinc/48/10/70/910481070.db2.gz UPGQAVNBWRCSKS-ZYHUDNBSSA-N 2 2 299.444 0.719 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CC1CCOCC1 ZINC001390514588 910481913 /nfs/dbraw/zinc/48/19/13/910481913.db2.gz UZYWDOSYQMFFGM-LBPRGKRZSA-N 2 2 294.399 0.484 20 0 CCADLP CC[N@@H+]1CC[C@H]1C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001417732758 921583019 /nfs/dbraw/zinc/58/30/19/921583019.db2.gz JYGGGNNIUOFNFL-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP CC[N@H+]1CC[C@H]1C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001417732758 921583031 /nfs/dbraw/zinc/58/30/31/921583031.db2.gz JYGGGNNIUOFNFL-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+]1CC[C@H]1C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001417732758 921583040 /nfs/dbraw/zinc/58/30/40/921583040.db2.gz JYGGGNNIUOFNFL-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+]1CC[C@H]1C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001417732758 921583056 /nfs/dbraw/zinc/58/30/56/921583056.db2.gz JYGGGNNIUOFNFL-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP Cc1cc(C[N@H+](C)CCNC(=O)[C@H]2CCC[NH+]2C)on1 ZINC001390743706 910642121 /nfs/dbraw/zinc/64/21/21/910642121.db2.gz WDPGSNNGDSGXGN-CYBMUJFWSA-N 2 2 280.372 0.625 20 0 CCADLP Cc1cc(C[N@@H+](C)CCNC(=O)[C@H]2CCC[NH+]2C)on1 ZINC001390743706 910642125 /nfs/dbraw/zinc/64/21/25/910642125.db2.gz WDPGSNNGDSGXGN-CYBMUJFWSA-N 2 2 280.372 0.625 20 0 CCADLP Cc1cc(C[NH+](C)CCNC(=O)[C@H]2CCC[N@@H+]2C)on1 ZINC001390743706 910642129 /nfs/dbraw/zinc/64/21/29/910642129.db2.gz WDPGSNNGDSGXGN-CYBMUJFWSA-N 2 2 280.372 0.625 20 0 CCADLP Cc1cc(C[NH+](C)CCNC(=O)[C@H]2CCC[N@H+]2C)on1 ZINC001390743706 910642133 /nfs/dbraw/zinc/64/21/33/910642133.db2.gz WDPGSNNGDSGXGN-CYBMUJFWSA-N 2 2 280.372 0.625 20 0 CCADLP COC[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001391210356 910971448 /nfs/dbraw/zinc/97/14/48/910971448.db2.gz PNLCBVDWMQULPC-STQMWFEESA-N 2 2 294.399 0.528 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[C@@H]1CC[N@H+](CCF)C1 ZINC001391333843 911049863 /nfs/dbraw/zinc/04/98/63/911049863.db2.gz JTGGENDPVOVLLA-GFCCVEGCSA-N 2 2 282.363 0.760 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[C@@H]1CC[N@@H+](CCF)C1 ZINC001391333843 911049884 /nfs/dbraw/zinc/04/98/84/911049884.db2.gz JTGGENDPVOVLLA-GFCCVEGCSA-N 2 2 282.363 0.760 20 0 CCADLP C[N@H+](CCCO)C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001391365822 911076616 /nfs/dbraw/zinc/07/66/16/911076616.db2.gz XVYRUPQXUPRTOJ-LBPRGKRZSA-N 2 2 280.372 0.115 20 0 CCADLP C[N@@H+](CCCO)C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001391365822 911076635 /nfs/dbraw/zinc/07/66/35/911076635.db2.gz XVYRUPQXUPRTOJ-LBPRGKRZSA-N 2 2 280.372 0.115 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H]1CC[N@H+](CCCO)C1 ZINC001391623692 911270740 /nfs/dbraw/zinc/27/07/40/911270740.db2.gz QUSYKUXSHLLYPY-JSGCOSHPSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H]1CC[N@@H+](CCCO)C1 ZINC001391623692 911270753 /nfs/dbraw/zinc/27/07/53/911270753.db2.gz QUSYKUXSHLLYPY-JSGCOSHPSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H]1CC[N@H+](CCCO)C1 ZINC001391623692 911270770 /nfs/dbraw/zinc/27/07/70/911270770.db2.gz QUSYKUXSHLLYPY-JSGCOSHPSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H]1CC[N@@H+](CCCO)C1 ZINC001391623692 911270782 /nfs/dbraw/zinc/27/07/82/911270782.db2.gz QUSYKUXSHLLYPY-JSGCOSHPSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1csnn1 ZINC001391963842 911490083 /nfs/dbraw/zinc/49/00/83/911490083.db2.gz JWDXBWMSBGCTKE-SNVBAGLBSA-N 2 2 294.384 0.277 20 0 CCADLP Cc1cc(C[NH2+]CCC[NH+]2CCC(O)CC2)[nH]n1 ZINC001339172426 921673569 /nfs/dbraw/zinc/67/35/69/921673569.db2.gz IGVFCSHHRGOUBX-UHFFFAOYSA-N 2 2 252.362 0.655 20 0 CCADLP C[N@H+](CCO)CCC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001392194624 911624867 /nfs/dbraw/zinc/62/48/67/911624867.db2.gz OHALOHCNPFRCKG-UHFFFAOYSA-N 2 2 294.399 0.505 20 0 CCADLP C[N@@H+](CCO)CCC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001392194624 911624882 /nfs/dbraw/zinc/62/48/82/911624882.db2.gz OHALOHCNPFRCKG-UHFFFAOYSA-N 2 2 294.399 0.505 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)CCC[NH+](C)C)o1 ZINC001392509022 911874546 /nfs/dbraw/zinc/87/45/46/911874546.db2.gz YZFWWSJJMSDZKN-GHMZBOCLSA-N 2 2 297.403 0.875 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001392523388 911890305 /nfs/dbraw/zinc/89/03/05/911890305.db2.gz CNEGGOCONLYPNG-GHMZBOCLSA-N 2 2 296.419 0.610 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001392523388 911890313 /nfs/dbraw/zinc/89/03/13/911890313.db2.gz CNEGGOCONLYPNG-GHMZBOCLSA-N 2 2 296.419 0.610 20 0 CCADLP CN1CC[NH+](CCCCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001322855150 911989115 /nfs/dbraw/zinc/98/91/15/911989115.db2.gz ODIQMWTWXXTCJH-UHFFFAOYSA-N 2 2 293.415 0.486 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)Cc1ccn(C)n1 ZINC001392719612 912112324 /nfs/dbraw/zinc/11/23/24/912112324.db2.gz FBMDLBCUHUKIQI-ZDUSSCGKSA-N 2 2 295.431 0.698 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)Cc1ccn(C)n1 ZINC001392719612 912112330 /nfs/dbraw/zinc/11/23/30/912112330.db2.gz FBMDLBCUHUKIQI-ZDUSSCGKSA-N 2 2 295.431 0.698 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccn(C)n1 ZINC001392719612 912112341 /nfs/dbraw/zinc/11/23/41/912112341.db2.gz FBMDLBCUHUKIQI-ZDUSSCGKSA-N 2 2 295.431 0.698 20 0 CCADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)C1CC[NH+](CCO)CC1 ZINC001417960177 921733341 /nfs/dbraw/zinc/73/33/41/921733341.db2.gz RLGRCSGZGGWIFG-UHFFFAOYSA-N 2 2 294.399 0.648 20 0 CCADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]C[C@@H]1CCCOC1 ZINC001399040363 915012091 /nfs/dbraw/zinc/01/20/91/915012091.db2.gz NUWAWIBZPMRAOF-KBPBESRZSA-N 2 2 294.399 0.794 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C)o1 ZINC001399046088 915020308 /nfs/dbraw/zinc/02/03/08/915020308.db2.gz QQPJALJZBOQFBI-GXFFZTMASA-N 2 2 297.403 0.559 20 0 CCADLP CC[C@@H](F)C[N@H+](C)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001399660201 915299087 /nfs/dbraw/zinc/29/90/87/915299087.db2.gz OMLVPMOXHKPUAS-OLZOCXBDSA-N 2 2 289.395 0.503 20 0 CCADLP CC[C@@H](F)C[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001399660201 915299101 /nfs/dbraw/zinc/29/91/01/915299101.db2.gz OMLVPMOXHKPUAS-OLZOCXBDSA-N 2 2 289.395 0.503 20 0 CCADLP CC[C@@H](F)C[NH+](C)CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001399660201 915299113 /nfs/dbraw/zinc/29/91/13/915299113.db2.gz OMLVPMOXHKPUAS-OLZOCXBDSA-N 2 2 289.395 0.503 20 0 CCADLP CC[C@@H](F)C[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001399660201 915299125 /nfs/dbraw/zinc/29/91/25/915299125.db2.gz OMLVPMOXHKPUAS-OLZOCXBDSA-N 2 2 289.395 0.503 20 0 CCADLP C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[N@H+](C)CCO ZINC001329562064 916011867 /nfs/dbraw/zinc/01/18/67/916011867.db2.gz WUXAGUXGJTWZMB-NWDGAFQWSA-N 2 2 268.361 0.263 20 0 CCADLP C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[N@@H+](C)CCO ZINC001329562064 916011884 /nfs/dbraw/zinc/01/18/84/916011884.db2.gz WUXAGUXGJTWZMB-NWDGAFQWSA-N 2 2 268.361 0.263 20 0 CCADLP CC(C)[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]C[C@H](C)O ZINC001401387349 916229370 /nfs/dbraw/zinc/22/93/70/916229370.db2.gz RKQIHKMQAFVVIX-WCQYABFASA-N 2 2 282.388 0.074 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NC[C@@H](O)C[NH2+]C(C)C ZINC001401538318 916309753 /nfs/dbraw/zinc/30/97/53/916309753.db2.gz KEYBUQSHRUOIBG-LBPRGKRZSA-N 2 2 281.356 0.108 20 0 CCADLP C[C@H](C[N@H+](C)Cc1ccn(C)n1)NC(=O)CCC[NH+](C)C ZINC001401784925 916587589 /nfs/dbraw/zinc/58/75/89/916587589.db2.gz NFMOBCUYYZJSKW-CYBMUJFWSA-N 2 2 295.431 0.698 20 0 CCADLP C[C@H](C[N@@H+](C)Cc1ccn(C)n1)NC(=O)CCC[NH+](C)C ZINC001401784925 916587603 /nfs/dbraw/zinc/58/76/03/916587603.db2.gz NFMOBCUYYZJSKW-CYBMUJFWSA-N 2 2 295.431 0.698 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@]1(C)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001402154965 916839116 /nfs/dbraw/zinc/83/91/16/916839116.db2.gz GKHBXVAGLXMDFF-DOMZBBRYSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@]1(C)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001402154965 916839130 /nfs/dbraw/zinc/83/91/30/916839130.db2.gz GKHBXVAGLXMDFF-DOMZBBRYSA-N 2 2 294.399 0.551 20 0 CCADLP Cc1nnsc1C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001402185571 916858056 /nfs/dbraw/zinc/85/80/56/916858056.db2.gz KNHVLCFFMYMZQT-LLVKDONJSA-N 2 2 297.428 0.489 20 0 CCADLP Cc1nnsc1C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001402185571 916858067 /nfs/dbraw/zinc/85/80/67/916858067.db2.gz KNHVLCFFMYMZQT-LLVKDONJSA-N 2 2 297.428 0.489 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001402194423 916864048 /nfs/dbraw/zinc/86/40/48/916864048.db2.gz WDROMWGBGFXVOU-CYBMUJFWSA-N 2 2 276.384 0.953 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001402194423 916864062 /nfs/dbraw/zinc/86/40/62/916864062.db2.gz WDROMWGBGFXVOU-CYBMUJFWSA-N 2 2 276.384 0.953 20 0 CCADLP C[NH2+]CCOCCN(C)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001331058937 917055786 /nfs/dbraw/zinc/05/57/86/917055786.db2.gz QNHMFSHWSDOBFZ-LLVKDONJSA-N 2 2 254.334 0.139 20 0 CCADLP C[C@@H](O)C[NH2+]C1(CNC(=O)CCc2c[nH+]cn2C)CCC1 ZINC001402568868 917101710 /nfs/dbraw/zinc/10/17/10/917101710.db2.gz IPPINGFYNRDPRJ-GFCCVEGCSA-N 2 2 294.399 0.362 20 0 CCADLP C[C@H](O)C[N@@H+]1CCC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001402656601 917160604 /nfs/dbraw/zinc/16/06/04/917160604.db2.gz IJZSZFPPTGDRKC-UONOGXRCSA-N 2 2 294.399 0.482 20 0 CCADLP C[C@H](O)C[N@H+]1CCC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001402656601 917160614 /nfs/dbraw/zinc/16/06/14/917160614.db2.gz IJZSZFPPTGDRKC-UONOGXRCSA-N 2 2 294.399 0.482 20 0 CCADLP CO[C@@H](C)C[NH2+]C1(C)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001402790322 917225517 /nfs/dbraw/zinc/22/55/17/917225517.db2.gz URVCOAIRLPOPHP-ZDUSSCGKSA-N 2 2 294.399 0.889 20 0 CCADLP Cc1cnc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)o1 ZINC001402881784 917315333 /nfs/dbraw/zinc/31/53/33/917315333.db2.gz AZNBIVSEEQQZPS-CYZMBNFOSA-N 2 2 294.399 0.918 20 0 CCADLP Cc1cnc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)o1 ZINC001402881784 917315345 /nfs/dbraw/zinc/31/53/45/917315345.db2.gz AZNBIVSEEQQZPS-CYZMBNFOSA-N 2 2 294.399 0.918 20 0 CCADLP CCC[NH+]1CCC(CO)(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001402894468 917321703 /nfs/dbraw/zinc/32/17/03/917321703.db2.gz NLGBTVDGNJSQFR-UHFFFAOYSA-N 2 2 294.399 0.316 20 0 CCADLP Cc1cnc(C[NH2+][C@H](C)CNC(=O)Cn2c[nH+]cc2C)o1 ZINC001402948744 917372856 /nfs/dbraw/zinc/37/28/56/917372856.db2.gz KCPNCFZEECOZBA-SNVBAGLBSA-N 2 2 291.355 0.782 20 0 CCADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CC1CCOCC1 ZINC001402981617 917398210 /nfs/dbraw/zinc/39/82/10/917398210.db2.gz OCTYQPWVSANPLW-ZDUSSCGKSA-N 2 2 294.399 0.794 20 0 CCADLP C[C@H](O)C[NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001403091877 917471072 /nfs/dbraw/zinc/47/10/72/917471072.db2.gz QEZDYCNGNSDYLK-NSHDSACASA-N 2 2 282.388 0.407 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NC[C@H](C)[N@H+](C)C[C@H](C)O ZINC001403133343 917514887 /nfs/dbraw/zinc/51/48/87/917514887.db2.gz DMKBYJUQTQXRRX-RYUDHWBXSA-N 2 2 295.383 0.450 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NC[C@H](C)[N@@H+](C)C[C@H](C)O ZINC001403133343 917514906 /nfs/dbraw/zinc/51/49/06/917514906.db2.gz DMKBYJUQTQXRRX-RYUDHWBXSA-N 2 2 295.383 0.450 20 0 CCADLP C[C@@H](O)C[N@H+](C)[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001403134021 917517260 /nfs/dbraw/zinc/51/72/60/917517260.db2.gz KXLPUDKIEDZKKL-WDEREUQCSA-N 2 2 290.367 0.994 20 0 CCADLP C[C@@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001403134021 917517278 /nfs/dbraw/zinc/51/72/78/917517278.db2.gz KXLPUDKIEDZKKL-WDEREUQCSA-N 2 2 290.367 0.994 20 0 CCADLP C[C@@H](O)C[NH+]1CCC([C@@H](C)NC(=O)Cn2cc[nH+]c2)CC1 ZINC001403977723 918153549 /nfs/dbraw/zinc/15/35/49/918153549.db2.gz FQKBYYLTPNPGPV-CHWSQXEVSA-N 2 2 294.399 0.481 20 0 CCADLP C[C@@H](O)C[N@H+](CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC001404261067 918264426 /nfs/dbraw/zinc/26/44/26/918264426.db2.gz CJOKEXAIAKVIRX-VXGBXAGGSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@@H](O)C[N@@H+](CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC001404261067 918264444 /nfs/dbraw/zinc/26/44/44/918264444.db2.gz CJOKEXAIAKVIRX-VXGBXAGGSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@@H](O)C[N@H+](CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC001404261067 918264454 /nfs/dbraw/zinc/26/44/54/918264454.db2.gz CJOKEXAIAKVIRX-VXGBXAGGSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@@H](O)C[N@@H+](CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC001404261067 918264464 /nfs/dbraw/zinc/26/44/64/918264464.db2.gz CJOKEXAIAKVIRX-VXGBXAGGSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@@H]([NH3+])C1CCN(C(=O)NCc2c[nH+]cn2C)CC1 ZINC001332557117 918276479 /nfs/dbraw/zinc/27/64/79/918276479.db2.gz JQRTTYXBSJKUGG-SNVBAGLBSA-N 2 2 265.361 0.689 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC1C[NH+](C[C@@H]2CC[C@H](C)O2)C1 ZINC001404842489 918489052 /nfs/dbraw/zinc/48/90/52/918489052.db2.gz LAHHXGPXWHHONL-JSGCOSHPSA-N 2 2 283.416 0.695 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC1C[NH+](C[C@@H]2CC[C@H](C)O2)C1 ZINC001404842489 918489057 /nfs/dbraw/zinc/48/90/57/918489057.db2.gz LAHHXGPXWHHONL-JSGCOSHPSA-N 2 2 283.416 0.695 20 0 CCADLP C[C@@H]1[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[N@@H+]1C ZINC001332925087 918534813 /nfs/dbraw/zinc/53/48/13/918534813.db2.gz AHNOZWLWLUVJQP-MWLCHTKSSA-N 2 2 266.345 0.559 20 0 CCADLP C[C@@H]1[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[N@H+]1C ZINC001332925087 918534826 /nfs/dbraw/zinc/53/48/26/918534826.db2.gz AHNOZWLWLUVJQP-MWLCHTKSSA-N 2 2 266.345 0.559 20 0 CCADLP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001333338930 918818967 /nfs/dbraw/zinc/81/89/67/918818967.db2.gz UGNRLUDQIFLQHX-HBNTYKKESA-N 2 2 264.329 0.008 20 0 CCADLP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001333338930 918818981 /nfs/dbraw/zinc/81/89/81/918818981.db2.gz UGNRLUDQIFLQHX-HBNTYKKESA-N 2 2 264.329 0.008 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnsn1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001405902930 918967193 /nfs/dbraw/zinc/96/71/93/918967193.db2.gz VUDKURTVUUVQHR-WDEREUQCSA-N 2 2 297.428 0.426 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnsn1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001405902930 918967206 /nfs/dbraw/zinc/96/72/06/918967206.db2.gz VUDKURTVUUVQHR-WDEREUQCSA-N 2 2 297.428 0.426 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CCO ZINC001406048798 919013083 /nfs/dbraw/zinc/01/30/83/919013083.db2.gz WJAYTPGWOWMJLO-OLZOCXBDSA-N 2 2 294.399 0.168 20 0 CCADLP C[C@H](O)C[N@H+](C)CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001406151738 919082379 /nfs/dbraw/zinc/08/23/79/919082379.db2.gz FESIAWMQXBQTHZ-NSHDSACASA-N 2 2 282.388 0.458 20 0 CCADLP C[C@H](O)C[N@@H+](C)CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001406151738 919082391 /nfs/dbraw/zinc/08/23/91/919082391.db2.gz FESIAWMQXBQTHZ-NSHDSACASA-N 2 2 282.388 0.458 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H](C[NH2+]Cc1ccccn1)C1CC1 ZINC001406806734 919470815 /nfs/dbraw/zinc/47/08/15/919470815.db2.gz LDJBHXGXGKEPNC-HNNXBMFYSA-N 2 2 299.378 0.963 20 0 CCADLP Cn1ccnc1C[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001407185001 919657667 /nfs/dbraw/zinc/65/76/67/919657667.db2.gz SVDLLSFWANFTCQ-HNNXBMFYSA-N 2 2 293.415 0.452 20 0 CCADLP Cn1ccnc1C[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001407185001 919657673 /nfs/dbraw/zinc/65/76/73/919657673.db2.gz SVDLLSFWANFTCQ-HNNXBMFYSA-N 2 2 293.415 0.452 20 0 CCADLP C[C@@H](F)CC[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001407388122 919737866 /nfs/dbraw/zinc/73/78/66/919737866.db2.gz VEWIGHAZZYASDE-TZMCWYRMSA-N 2 2 298.362 0.184 20 0 CCADLP C[C@@H](F)CC[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001407388122 919737874 /nfs/dbraw/zinc/73/78/74/919737874.db2.gz VEWIGHAZZYASDE-TZMCWYRMSA-N 2 2 298.362 0.184 20 0 CCADLP CN(CCC[N@H+](C)Cc1ccon1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001407947979 919965361 /nfs/dbraw/zinc/96/53/61/919965361.db2.gz LQESZZGUHDNCJD-ZDUSSCGKSA-N 2 2 294.399 0.907 20 0 CCADLP CN(CCC[N@@H+](C)Cc1ccon1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001407947979 919965372 /nfs/dbraw/zinc/96/53/72/919965372.db2.gz LQESZZGUHDNCJD-ZDUSSCGKSA-N 2 2 294.399 0.907 20 0 CCADLP CN(CCC[NH+](C)Cc1ccon1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001407947979 919965391 /nfs/dbraw/zinc/96/53/91/919965391.db2.gz LQESZZGUHDNCJD-ZDUSSCGKSA-N 2 2 294.399 0.907 20 0 CCADLP CN(CCC[NH+](C)Cc1ccon1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001407947979 919965403 /nfs/dbraw/zinc/96/54/03/919965403.db2.gz LQESZZGUHDNCJD-ZDUSSCGKSA-N 2 2 294.399 0.907 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001335556660 920277070 /nfs/dbraw/zinc/27/70/70/920277070.db2.gz KYFQBRICLZORDB-OUAUKWLOSA-N 2 2 263.345 0.105 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC001414663973 920452414 /nfs/dbraw/zinc/45/24/14/920452414.db2.gz DDQIKQSTWWKENM-CYBMUJFWSA-N 2 2 293.415 0.994 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC001414663973 920452416 /nfs/dbraw/zinc/45/24/16/920452416.db2.gz DDQIKQSTWWKENM-CYBMUJFWSA-N 2 2 293.415 0.994 20 0 CCADLP O[C@H](C[NH2+][C@H]1Cc2c[nH+]cn2C1)CC1(O)CCCC1 ZINC001336033540 920573413 /nfs/dbraw/zinc/57/34/13/920573413.db2.gz CBEBLFSWPHXBDE-AAEUAGOBSA-N 2 2 265.357 0.454 20 0 CCADLP CN1CC[NH+](CCCCN2CC[NH+](C)CC2)CC1 ZINC001336384793 920749414 /nfs/dbraw/zinc/74/94/14/920749414.db2.gz VVJWWPKMFFFOQO-UHFFFAOYSA-N 2 2 254.422 0.261 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]C[C@H](O)c1ccncc1)C1CC1 ZINC001336702820 920938821 /nfs/dbraw/zinc/93/88/21/920938821.db2.gz GCUJEOHTWRXKHW-KGLIPLIRSA-N 2 2 265.357 0.160 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@H](O)c1ccncc1)C1CC1 ZINC001336702820 920938834 /nfs/dbraw/zinc/93/88/34/920938834.db2.gz GCUJEOHTWRXKHW-KGLIPLIRSA-N 2 2 265.357 0.160 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)N1CCC[C@]12CC[NH2+]C2 ZINC001336710218 920943494 /nfs/dbraw/zinc/94/34/94/920943494.db2.gz MRLQEJMATMKXPG-CQSZACIVSA-N 2 2 277.372 0.811 20 0 CCADLP CS(=O)(=O)CC[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC001336805936 921022510 /nfs/dbraw/zinc/02/25/10/921022510.db2.gz YVEIVOJLZNSOSW-CYBMUJFWSA-N 2 2 274.430 0.743 20 0 CCADLP CS(=O)(=O)CC[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001336805936 921022521 /nfs/dbraw/zinc/02/25/21/921022521.db2.gz YVEIVOJLZNSOSW-CYBMUJFWSA-N 2 2 274.430 0.743 20 0 CCADLP C[C@@H](CC(=O)NC[C@@H]1CCC[N@H+](CCO)C1)n1cc[nH+]c1 ZINC001418130226 921846806 /nfs/dbraw/zinc/84/68/06/921846806.db2.gz TXJXJMWHQWFSIY-KBPBESRZSA-N 2 2 294.399 0.655 20 0 CCADLP C[C@@H](CC(=O)NC[C@@H]1CCC[N@@H+](CCO)C1)n1cc[nH+]c1 ZINC001418130226 921846814 /nfs/dbraw/zinc/84/68/14/921846814.db2.gz TXJXJMWHQWFSIY-KBPBESRZSA-N 2 2 294.399 0.655 20 0 CCADLP Cc1noc([C@@H](C)[NH2+][C@H](C)CNC(=O)CCC[NH+](C)C)n1 ZINC001418265776 921978119 /nfs/dbraw/zinc/97/81/19/921978119.db2.gz MXLBCLVKZHKVJK-GHMZBOCLSA-N 2 2 297.403 0.875 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nncs1 ZINC001418314281 922015188 /nfs/dbraw/zinc/01/51/88/922015188.db2.gz HEWJAJVOFIREMS-UWVGGRQHSA-N 2 2 283.401 0.084 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1nncs1 ZINC001418314281 922015204 /nfs/dbraw/zinc/01/52/04/922015204.db2.gz HEWJAJVOFIREMS-UWVGGRQHSA-N 2 2 283.401 0.084 20 0 CCADLP Cc1cc(CNC(=O)C2(C[NH3+])CC(O)C2)cc(C)[nH+]1 ZINC001340365571 922068102 /nfs/dbraw/zinc/06/81/02/922068102.db2.gz SCYJUIRRNBCMRE-UHFFFAOYSA-N 2 2 263.341 0.414 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)[C@H]1[NH2+]CC12CCOCC2 ZINC001340521533 922108967 /nfs/dbraw/zinc/10/89/67/922108967.db2.gz HGDXHJURHUNSJC-GFCCVEGCSA-N 2 2 278.356 0.158 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[C@@H]([NH3+])C(F)F)[C@@H]1CC[NH3+] ZINC001340561528 922117529 /nfs/dbraw/zinc/11/75/29/922117529.db2.gz XHHKWKIIBJEKTA-OPRDCNLKSA-N 2 2 263.332 0.945 20 0 CCADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)C[C@H]1CC[C@H](C)O1 ZINC001418584663 922275899 /nfs/dbraw/zinc/27/58/99/922275899.db2.gz RGGPJEIOFUKVMA-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP CN(C[C@@H]1CC[N@@H+]1C[C@@H]1CCOC1)C(=O)Cn1cc[nH+]c1 ZINC001418597536 922295845 /nfs/dbraw/zinc/29/58/45/922295845.db2.gz DHPXQFNORHTZAX-KBPBESRZSA-N 2 2 292.383 0.452 20 0 CCADLP CN(C[C@@H]1CC[N@H+]1C[C@@H]1CCOC1)C(=O)Cn1cc[nH+]c1 ZINC001418597536 922295858 /nfs/dbraw/zinc/29/58/58/922295858.db2.gz DHPXQFNORHTZAX-KBPBESRZSA-N 2 2 292.383 0.452 20 0 CCADLP Cn1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)CC[NH+](C)C)n1 ZINC001418606891 922302876 /nfs/dbraw/zinc/30/28/76/922302876.db2.gz BMVRCMIFIOQFNH-AWEZNQCLSA-N 2 2 293.415 0.452 20 0 CCADLP Cn1ccc(C[N@H+]2CCC[C@H]2CNC(=O)CC[NH+](C)C)n1 ZINC001418606891 922302890 /nfs/dbraw/zinc/30/28/90/922302890.db2.gz BMVRCMIFIOQFNH-AWEZNQCLSA-N 2 2 293.415 0.452 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001418608250 922304994 /nfs/dbraw/zinc/30/49/94/922304994.db2.gz RXSAQHKAXUFVCQ-CHWSQXEVSA-N 2 2 280.372 0.451 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001418608250 922305005 /nfs/dbraw/zinc/30/50/05/922305005.db2.gz RXSAQHKAXUFVCQ-CHWSQXEVSA-N 2 2 280.372 0.451 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCF)C1 ZINC001418726527 922388745 /nfs/dbraw/zinc/38/87/45/922388745.db2.gz WOINWBQJDYEYGE-NWDGAFQWSA-N 2 2 282.363 0.807 20 0 CCADLP COC[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001418830859 922445388 /nfs/dbraw/zinc/44/53/88/922445388.db2.gz ZDXGPPCHIHDCAB-QWHCGFSZSA-N 2 2 294.399 0.528 20 0 CCADLP [NH3+][C@H](CC(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21)C(F)F ZINC001341541867 922540982 /nfs/dbraw/zinc/54/09/82/922540982.db2.gz YLDNFJHTLFRZOH-BBBLOLIVSA-N 2 2 261.316 0.569 20 0 CCADLP O=C(N[C@H](CO)Cc1c[nH]c[nH+]1)C1CC[NH+](C2CC2)CC1 ZINC001418997395 922556343 /nfs/dbraw/zinc/55/63/43/922556343.db2.gz JIDNHPJHFFCVMR-ZDUSSCGKSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(N[C@H](CO)Cc1c[nH+]c[nH]1)C1CC[NH+](C2CC2)CC1 ZINC001418997395 922556359 /nfs/dbraw/zinc/55/63/59/922556359.db2.gz JIDNHPJHFFCVMR-ZDUSSCGKSA-N 2 2 292.383 0.304 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)CC1CC([NH3+])C1 ZINC001341751547 922657951 /nfs/dbraw/zinc/65/79/51/922657951.db2.gz FMVXGHJCZDUBFQ-WXRRBKDZSA-N 2 2 269.389 0.341 20 0 CCADLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1cnoc1C ZINC001419242429 922731483 /nfs/dbraw/zinc/73/14/83/922731483.db2.gz FQBQSXBTZRPQOH-GFCCVEGCSA-N 2 2 291.355 0.933 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC001342112973 922811618 /nfs/dbraw/zinc/81/16/18/922811618.db2.gz WZKJHHSDPQIESO-CKYFFXLPSA-N 2 2 262.357 0.638 20 0 CCADLP CC1(C)C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001342113304 922813175 /nfs/dbraw/zinc/81/31/75/922813175.db2.gz ZWNNZGMPQROHCG-MNOVXSKESA-N 2 2 262.357 0.560 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]Cc1cscn1 ZINC001419521773 922894498 /nfs/dbraw/zinc/89/44/98/922894498.db2.gz YMGFHMGIIWIRDK-JTQLQIEISA-N 2 2 293.396 0.951 20 0 CCADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]Cc1cnn(C)c1 ZINC001419767019 923084059 /nfs/dbraw/zinc/08/40/59/923084059.db2.gz KULLOBVVJPDRJL-LLVKDONJSA-N 2 2 290.371 0.370 20 0 CCADLP CN(CC[N@H+](C)CC[C@H]1CCOC1)C(=O)Cn1cc[nH+]c1 ZINC001420061502 923274995 /nfs/dbraw/zinc/27/49/95/923274995.db2.gz WNANOFFLWWHWRS-AWEZNQCLSA-N 2 2 294.399 0.700 20 0 CCADLP CN(CC[N@@H+](C)CC[C@H]1CCOC1)C(=O)Cn1cc[nH+]c1 ZINC001420061502 923275011 /nfs/dbraw/zinc/27/50/11/923275011.db2.gz WNANOFFLWWHWRS-AWEZNQCLSA-N 2 2 294.399 0.700 20 0 CCADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001343459146 923326134 /nfs/dbraw/zinc/32/61/34/923326134.db2.gz OTCUFCGHDIAVLP-IRCOFANPSA-N 2 2 262.357 0.732 20 0 CCADLP [NH3+][C@H](CC(=O)N[C@@H]1CC[NH2+]C12CCCC2)C(F)F ZINC001343879428 923490981 /nfs/dbraw/zinc/49/09/81/923490981.db2.gz DJCIPQKEPDJDPU-RKDXNWHRSA-N 2 2 261.316 0.760 20 0 CCADLP CCC[N@@H+]1CCCC[C@H]1C(=O)N1CC([NH2+]C2COC2)C1 ZINC001420296513 923515864 /nfs/dbraw/zinc/51/58/64/923515864.db2.gz DTBHAVIREXFATF-AWEZNQCLSA-N 2 2 281.400 0.450 20 0 CCADLP CCC[N@H+]1CCCC[C@H]1C(=O)N1CC([NH2+]C2COC2)C1 ZINC001420296513 923515877 /nfs/dbraw/zinc/51/58/77/923515877.db2.gz DTBHAVIREXFATF-AWEZNQCLSA-N 2 2 281.400 0.450 20 0 CCADLP Cn1nccc1C[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001420342036 923558164 /nfs/dbraw/zinc/55/81/64/923558164.db2.gz FTFZYVOMFSHBSI-UHFFFAOYSA-N 2 2 279.388 0.064 20 0 CCADLP Cn1nccc1C[N@@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001420342036 923558176 /nfs/dbraw/zinc/55/81/76/923558176.db2.gz FTFZYVOMFSHBSI-UHFFFAOYSA-N 2 2 279.388 0.064 20 0 CCADLP CC[N@H+](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C[C@@H](C)O ZINC001420403996 923627266 /nfs/dbraw/zinc/62/72/66/923627266.db2.gz KQKMHISMKYVEBY-OLZOCXBDSA-N 2 2 294.399 0.264 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C[C@@H](C)O ZINC001420403996 923627275 /nfs/dbraw/zinc/62/72/75/923627275.db2.gz KQKMHISMKYVEBY-OLZOCXBDSA-N 2 2 294.399 0.264 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@H](C)c1nnc(C)o1 ZINC001420505850 923719310 /nfs/dbraw/zinc/71/93/10/923719310.db2.gz YNRXWVCNDHFGBL-WDEREUQCSA-N 2 2 297.403 0.875 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@H](C)c1nnc(C)o1 ZINC001420505850 923719323 /nfs/dbraw/zinc/71/93/23/923719323.db2.gz YNRXWVCNDHFGBL-WDEREUQCSA-N 2 2 297.403 0.875 20 0 CCADLP C[C@@H](C[NH2+]C[C@@H]1CCCCO1)NC(=O)Cn1cc[nH+]c1 ZINC001420523720 923741008 /nfs/dbraw/zinc/74/10/08/923741008.db2.gz QUZOVPWUGOWSLZ-STQMWFEESA-N 2 2 280.372 0.547 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001420577235 923795882 /nfs/dbraw/zinc/79/58/82/923795882.db2.gz VEFQVGWGVSFYTR-OLZOCXBDSA-N 2 2 280.372 0.356 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001420577235 923795893 /nfs/dbraw/zinc/79/58/93/923795893.db2.gz VEFQVGWGVSFYTR-OLZOCXBDSA-N 2 2 280.372 0.356 20 0 CCADLP C[C@H](O)C[N@H+](C)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001420602215 923814644 /nfs/dbraw/zinc/81/46/44/923814644.db2.gz SABHCDXVRIZZKM-RYUDHWBXSA-N 2 2 290.367 0.765 20 0 CCADLP C[C@H](O)C[N@@H+](C)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001420602215 923814651 /nfs/dbraw/zinc/81/46/51/923814651.db2.gz SABHCDXVRIZZKM-RYUDHWBXSA-N 2 2 290.367 0.765 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[N@@H+](C)CCC[C@@H](C)O ZINC001420671092 923864814 /nfs/dbraw/zinc/86/48/14/923864814.db2.gz YUAPIHWTNMOFFF-VXGBXAGGSA-N 2 2 296.415 0.858 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[N@H+](C)CCC[C@@H](C)O ZINC001420671092 923864823 /nfs/dbraw/zinc/86/48/23/923864823.db2.gz YUAPIHWTNMOFFF-VXGBXAGGSA-N 2 2 296.415 0.858 20 0 CCADLP C[C@H]([NH2+]CCO)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001420759493 923924353 /nfs/dbraw/zinc/92/43/53/923924353.db2.gz PQGGBFGYXBTLEM-NSHDSACASA-N 2 2 280.372 0.161 20 0 CCADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001420813258 923951959 /nfs/dbraw/zinc/95/19/59/923951959.db2.gz BMNLZTJHRZHWCK-GXTWGEPZSA-N 2 2 294.399 0.646 20 0 CCADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001420813258 923951965 /nfs/dbraw/zinc/95/19/65/923951965.db2.gz BMNLZTJHRZHWCK-GXTWGEPZSA-N 2 2 294.399 0.646 20 0 CCADLP C[NH+](C)[C@@H]1C[C@H]([NH2+]C[C@H](O)C2(O)CCC2)C12CCC2 ZINC001346376924 924181165 /nfs/dbraw/zinc/18/11/65/924181165.db2.gz KDJGIWRQPLOCQJ-XQQFMLRXSA-N 2 2 268.401 0.725 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CCC[C@H]([NH3+])C2)c1 ZINC001346453914 924220417 /nfs/dbraw/zinc/22/04/17/924220417.db2.gz STFGQSGRUMIPOS-JTQLQIEISA-N 2 2 251.334 0.095 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001421241436 924233278 /nfs/dbraw/zinc/23/32/78/924233278.db2.gz RDRAFMXCDQUCET-LBPRGKRZSA-N 2 2 280.372 0.190 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001421241436 924233290 /nfs/dbraw/zinc/23/32/90/924233290.db2.gz RDRAFMXCDQUCET-LBPRGKRZSA-N 2 2 280.372 0.190 20 0 CCADLP CC[N@@H+]1CCN(C(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001347575076 924484046 /nfs/dbraw/zinc/48/40/46/924484046.db2.gz VFVICPXBWCBHDL-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP CC[N@H+]1CCN(C(=O)CCc2[nH+]ccn2C)[C@H](C)C1 ZINC001347575076 924484050 /nfs/dbraw/zinc/48/40/50/924484050.db2.gz VFVICPXBWCBHDL-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP [NH3+][C@H]1C[C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001349621914 925007972 /nfs/dbraw/zinc/00/79/72/925007972.db2.gz ZOHKJIDRAZHUCD-PHIMTYICSA-N 2 2 262.357 0.615 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CCC[C@@H]2C[NH3+])c1 ZINC001350207988 925145300 /nfs/dbraw/zinc/14/53/00/925145300.db2.gz VGLJPQHDLYDSRF-LLVKDONJSA-N 2 2 251.334 0.095 20 0 CCADLP C[NH2+]C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001350359365 925177871 /nfs/dbraw/zinc/17/78/71/925177871.db2.gz USXKNJQMIRHXNW-NSHDSACASA-N 2 2 262.357 0.656 20 0 CCADLP CC(C)C[NH2+]CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001350405843 925193828 /nfs/dbraw/zinc/19/38/28/925193828.db2.gz VVRQCQSGPSREGN-CYBMUJFWSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H]([NH3+])[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CCO1 ZINC001353004717 925698526 /nfs/dbraw/zinc/69/85/26/925698526.db2.gz MRSVJUYHUJKEQX-VHSXEESVSA-N 2 2 266.345 0.262 20 0 CCADLP CCC[NH2+]CCNC(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC001353591616 925879151 /nfs/dbraw/zinc/87/91/51/925879151.db2.gz QLHJNNRMDLNSTH-UONOGXRCSA-N 2 2 285.432 0.992 20 0 CCADLP CCC[NH2+]CCNC(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC001353591616 925879158 /nfs/dbraw/zinc/87/91/58/925879158.db2.gz QLHJNNRMDLNSTH-UONOGXRCSA-N 2 2 285.432 0.992 20 0 CCADLP Cc1nc(N2CC([NH2+][C@H]3CCOC3)C2)c(C)c(C)[nH+]1 ZINC001472888987 926185981 /nfs/dbraw/zinc/18/59/81/926185981.db2.gz PGAGIAZUWGBCHJ-LBPRGKRZSA-N 2 2 262.357 0.969 20 0 CCADLP COC[C@@H]1C[NH2+]CCN1C(=O)NCCCCn1cc[nH+]c1 ZINC001356584519 926406720 /nfs/dbraw/zinc/40/67/20/926406720.db2.gz HWDOBDIBQYSWOK-ZDUSSCGKSA-N 2 2 295.387 0.293 20 0 CCADLP CC[N@H+](CCNC(=O)C[C@@H]([NH3+])C(F)F)C(C)C ZINC001357391174 926523393 /nfs/dbraw/zinc/52/33/93/926523393.db2.gz GCLCJGSEAKHGER-SECBINFHSA-N 2 2 251.321 0.815 20 0 CCADLP CC[N@@H+](CCNC(=O)C[C@@H]([NH3+])C(F)F)C(C)C ZINC001357391174 926523402 /nfs/dbraw/zinc/52/34/02/926523402.db2.gz GCLCJGSEAKHGER-SECBINFHSA-N 2 2 251.321 0.815 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)NCCC[C@@H]2CCOC2)CC1 ZINC001357434445 926530357 /nfs/dbraw/zinc/53/03/57/926530357.db2.gz LAFGXSNCPGTOLJ-CYBMUJFWSA-N 2 2 298.431 0.525 20 0 CCADLP CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001421364238 926699960 /nfs/dbraw/zinc/69/99/60/926699960.db2.gz SHVVECQVRLGVIH-IUODEOHRSA-N 2 2 292.383 0.018 20 0 CCADLP CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001421364238 926699968 /nfs/dbraw/zinc/69/99/68/926699968.db2.gz SHVVECQVRLGVIH-IUODEOHRSA-N 2 2 292.383 0.018 20 0 CCADLP C[C@@H](O)C[NH+]1CCC(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001421632451 926826701 /nfs/dbraw/zinc/82/67/01/926826701.db2.gz WRKVSBCMAFXCNY-GFCCVEGCSA-N 2 2 294.399 0.551 20 0 CCADLP CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001421696852 926863584 /nfs/dbraw/zinc/86/35/84/926863584.db2.gz DEWDAMVRQBHIFX-KGLIPLIRSA-N 2 2 283.416 0.555 20 0 CCADLP CCC[N@H+]1CCOC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001421696852 926863595 /nfs/dbraw/zinc/86/35/95/926863595.db2.gz DEWDAMVRQBHIFX-KGLIPLIRSA-N 2 2 283.416 0.555 20 0 CCADLP CCC[NH+]1CCOC[C@@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001421696852 926863610 /nfs/dbraw/zinc/86/36/10/926863610.db2.gz DEWDAMVRQBHIFX-KGLIPLIRSA-N 2 2 283.416 0.555 20 0 CCADLP CCC[NH+]1CCOC[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001421696852 926863620 /nfs/dbraw/zinc/86/36/20/926863620.db2.gz DEWDAMVRQBHIFX-KGLIPLIRSA-N 2 2 283.416 0.555 20 0 CCADLP NC(=O)[C@H]1CC[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC001474575571 926903875 /nfs/dbraw/zinc/90/38/75/926903875.db2.gz MBKYRSLUYKDAKY-YUTCNCBUSA-N 2 2 281.400 0.483 20 0 CCADLP CN(CCC[N@H+](C)CCO)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001421856140 926947952 /nfs/dbraw/zinc/94/79/52/926947952.db2.gz AWHIAERSHGIBKI-ZDUSSCGKSA-N 2 2 294.399 0.218 20 0 CCADLP CN(CCC[N@@H+](C)CCO)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001421856140 926947960 /nfs/dbraw/zinc/94/79/60/926947960.db2.gz AWHIAERSHGIBKI-ZDUSSCGKSA-N 2 2 294.399 0.218 20 0 CCADLP C[C@@H](C[NH2+]C[C@@H]1CCCOC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001422015499 927040135 /nfs/dbraw/zinc/04/01/35/927040135.db2.gz ZPHBGKJDELJHJY-KBPBESRZSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[N@H+](C)CCCO ZINC001422214673 927152828 /nfs/dbraw/zinc/15/28/28/927152828.db2.gz OGJJOTVSNOEYLZ-GFCCVEGCSA-N 2 2 282.388 0.361 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[N@@H+](C)CCCO ZINC001422214673 927152842 /nfs/dbraw/zinc/15/28/42/927152842.db2.gz OGJJOTVSNOEYLZ-GFCCVEGCSA-N 2 2 282.388 0.361 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[N@H+](C)CCCO ZINC001422214673 927152858 /nfs/dbraw/zinc/15/28/58/927152858.db2.gz OGJJOTVSNOEYLZ-GFCCVEGCSA-N 2 2 282.388 0.361 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[N@@H+](C)CCCO ZINC001422214673 927152869 /nfs/dbraw/zinc/15/28/69/927152869.db2.gz OGJJOTVSNOEYLZ-GFCCVEGCSA-N 2 2 282.388 0.361 20 0 CCADLP CO[C@H](C)C[NH2+]CC(C)(C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001422478357 927306124 /nfs/dbraw/zinc/30/61/24/927306124.db2.gz ZPLWJOYDGSGNPO-CYBMUJFWSA-N 2 2 296.415 0.992 20 0 CCADLP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@H](C)c1nnc(C)o1 ZINC001422589970 927391814 /nfs/dbraw/zinc/39/18/14/927391814.db2.gz LVEIJDGAYOTGGZ-GHMZBOCLSA-N 2 2 297.403 0.875 20 0 CCADLP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@H](C)c1nnc(C)o1 ZINC001422589970 927391828 /nfs/dbraw/zinc/39/18/28/927391828.db2.gz LVEIJDGAYOTGGZ-GHMZBOCLSA-N 2 2 297.403 0.875 20 0 CCADLP CC(C)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001422609799 927406994 /nfs/dbraw/zinc/40/69/94/927406994.db2.gz YSRKJCAFXPUFCH-ZDUSSCGKSA-N 2 2 283.416 0.290 20 0 CCADLP CC(C)C[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001422609799 927406999 /nfs/dbraw/zinc/40/69/99/927406999.db2.gz YSRKJCAFXPUFCH-ZDUSSCGKSA-N 2 2 283.416 0.290 20 0 CCADLP Cc1conc1C[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001422612726 927409966 /nfs/dbraw/zinc/40/99/66/927409966.db2.gz DOFMLJJMTHBTAR-LLVKDONJSA-N 2 2 291.355 0.782 20 0 CCADLP C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C1C[NH+](CCO)C1 ZINC001422744054 927485825 /nfs/dbraw/zinc/48/58/25/927485825.db2.gz YRZJCXZOFBRTQJ-NWDGAFQWSA-N 2 2 280.372 0.263 20 0 CCADLP CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001422818357 927531062 /nfs/dbraw/zinc/53/10/62/927531062.db2.gz DDRDQMZMTSNJDB-XYYAHUGASA-N 2 2 276.384 0.667 20 0 CCADLP CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001422818357 927531069 /nfs/dbraw/zinc/53/10/69/927531069.db2.gz DDRDQMZMTSNJDB-XYYAHUGASA-N 2 2 276.384 0.667 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001362132314 927648127 /nfs/dbraw/zinc/64/81/27/927648127.db2.gz YTIJMQVBZARWEF-HZSPNIEDSA-N 2 2 284.448 0.325 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001362132314 927648134 /nfs/dbraw/zinc/64/81/34/927648134.db2.gz YTIJMQVBZARWEF-HZSPNIEDSA-N 2 2 284.448 0.325 20 0 CCADLP C[C@H](CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CC(N)=O ZINC001423068518 927659707 /nfs/dbraw/zinc/65/97/07/927659707.db2.gz ALTJYNHLUBGUAA-SECBINFHSA-N 2 2 289.339 0.098 20 0 CCADLP Cn1cc(C[N@@H+]2CC[C@H]2CNC(=O)CCC[NH+](C)C)cn1 ZINC001423108006 927679029 /nfs/dbraw/zinc/67/90/29/927679029.db2.gz HFNRGRUHDBTOBI-AWEZNQCLSA-N 2 2 293.415 0.452 20 0 CCADLP Cn1cc(C[N@H+]2CC[C@H]2CNC(=O)CCC[NH+](C)C)cn1 ZINC001423108006 927679032 /nfs/dbraw/zinc/67/90/32/927679032.db2.gz HFNRGRUHDBTOBI-AWEZNQCLSA-N 2 2 293.415 0.452 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001423169347 927705592 /nfs/dbraw/zinc/70/55/92/927705592.db2.gz JXGYCFFXOKNANE-STQMWFEESA-N 2 2 296.415 0.824 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001362273744 927809763 /nfs/dbraw/zinc/80/97/63/927809763.db2.gz XZDUJBHNMWTILH-ZDUSSCGKSA-N 2 2 297.399 0.223 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001362273744 927809784 /nfs/dbraw/zinc/80/97/84/927809784.db2.gz XZDUJBHNMWTILH-ZDUSSCGKSA-N 2 2 297.399 0.223 20 0 CCADLP CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001423793152 927982198 /nfs/dbraw/zinc/98/21/98/927982198.db2.gz PGEQXVOIAQDTLX-BXUZGUMPSA-N 2 2 280.372 0.161 20 0 CCADLP CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001423793152 927982207 /nfs/dbraw/zinc/98/22/07/927982207.db2.gz PGEQXVOIAQDTLX-BXUZGUMPSA-N 2 2 280.372 0.161 20 0 CCADLP CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001423793152 927982217 /nfs/dbraw/zinc/98/22/17/927982217.db2.gz PGEQXVOIAQDTLX-BXUZGUMPSA-N 2 2 280.372 0.161 20 0 CCADLP CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001423793152 927982231 /nfs/dbraw/zinc/98/22/31/927982231.db2.gz PGEQXVOIAQDTLX-BXUZGUMPSA-N 2 2 280.372 0.161 20 0 CCADLP CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001424048522 928076239 /nfs/dbraw/zinc/07/62/39/928076239.db2.gz VSKYRUJREBLXTD-IUODEOHRSA-N 2 2 294.399 0.551 20 0 CCADLP Cc1noc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001424801716 928302210 /nfs/dbraw/zinc/30/22/10/928302210.db2.gz GUPUIGVLVLSYJR-VHSXEESVSA-N 2 2 283.376 0.313 20 0 CCADLP CC(C)[C@@H](CCN(C)C(=O)Cn1cc[nH+]c1)[NH2+]C[C@H](C)O ZINC001425166806 928451810 /nfs/dbraw/zinc/45/18/10/928451810.db2.gz VPGQWHMDKOUOGY-UONOGXRCSA-N 2 2 296.415 0.727 20 0 CCADLP Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)Cn2cc[nH+]c2)on1 ZINC001425690905 928625186 /nfs/dbraw/zinc/62/51/86/928625186.db2.gz FMGUNLMWGSFCOP-LBPRGKRZSA-N 2 2 291.355 0.816 20 0 CCADLP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC001425952372 928714853 /nfs/dbraw/zinc/71/48/53/928714853.db2.gz IMWLUYDSABCMNC-WCQYABFASA-N 2 2 294.399 0.814 20 0 CCADLP C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC001362991590 928734608 /nfs/dbraw/zinc/73/46/08/928734608.db2.gz STXHWXCRGCJGRJ-VXGBXAGGSA-N 2 2 276.384 0.902 20 0 CCADLP C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC001362991590 928734616 /nfs/dbraw/zinc/73/46/16/928734616.db2.gz STXHWXCRGCJGRJ-VXGBXAGGSA-N 2 2 276.384 0.902 20 0 CCADLP C[C@H](O)C[NH+]1CCC([C@H](C)NC(=O)Cn2cc[nH+]c2)CC1 ZINC001426208032 928789085 /nfs/dbraw/zinc/78/90/85/928789085.db2.gz FQKBYYLTPNPGPV-STQMWFEESA-N 2 2 294.399 0.481 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H](C(=O)N[C@H](CO)c2c[nH+]cn2C)C1 ZINC001363321103 929111897 /nfs/dbraw/zinc/11/18/97/929111897.db2.gz KBJWCVMHYHHTMQ-CHWSQXEVSA-N 2 2 294.399 0.690 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H](C(=O)N[C@H](CO)c2c[nH+]cn2C)C1 ZINC001363321103 929111902 /nfs/dbraw/zinc/11/19/02/929111902.db2.gz KBJWCVMHYHHTMQ-CHWSQXEVSA-N 2 2 294.399 0.690 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC001363408365 929193308 /nfs/dbraw/zinc/19/33/08/929193308.db2.gz XQWJWWSJTQNTAM-OCCSQVGLSA-N 2 2 293.415 0.481 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001363700011 929497225 /nfs/dbraw/zinc/49/72/25/929497225.db2.gz ASMRMIDYLDMCCJ-RAIGVLPGSA-N 2 2 290.367 0.113 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H](C)CC[NH+](C)C ZINC001443595029 929656711 /nfs/dbraw/zinc/65/67/11/929656711.db2.gz CUGVACOWWNLBHL-ZIAGYGMSSA-N 2 2 284.448 0.326 20 0 CCADLP C[C@H](C(=O)N(C)CC[N@H+](C)CC(N)=O)[NH+]1CCCCCC1 ZINC001445047217 930015255 /nfs/dbraw/zinc/01/52/55/930015255.db2.gz OSURVINOKZDIHC-CYBMUJFWSA-N 2 2 298.431 0.126 20 0 CCADLP C[C@H](C(=O)N(C)CC[N@@H+](C)CC(N)=O)[NH+]1CCCCCC1 ZINC001445047217 930015264 /nfs/dbraw/zinc/01/52/64/930015264.db2.gz OSURVINOKZDIHC-CYBMUJFWSA-N 2 2 298.431 0.126 20 0 CCADLP Cc1noc(C[NH2+]C[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)n1 ZINC001445392074 930124426 /nfs/dbraw/zinc/12/44/26/930124426.db2.gz YLCGXAFHJVRZHG-SNVBAGLBSA-N 2 2 295.387 0.457 20 0 CCADLP C[C@H](C[NH2+]Cc1cccnc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001445442369 930137454 /nfs/dbraw/zinc/13/74/54/930137454.db2.gz ZGFCLRPDUKJDSI-LLVKDONJSA-N 2 2 273.340 0.642 20 0 CCADLP C[C@@H](C[NH2+]C[C@H]1CCCOC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001445556842 930167794 /nfs/dbraw/zinc/16/77/94/930167794.db2.gz PTEKHUZCQYIYOZ-QWHCGFSZSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@@H](C[NH2+]C[C@H]1CCCOC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001445556842 930167809 /nfs/dbraw/zinc/16/78/09/930167809.db2.gz PTEKHUZCQYIYOZ-QWHCGFSZSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@@H](O)CCC[NH+]1CC(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001373467463 930206707 /nfs/dbraw/zinc/20/67/07/930206707.db2.gz JNFKIVURGYTDDM-CQSZACIVSA-N 2 2 297.443 0.680 20 0 CCADLP COCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001445762652 930240561 /nfs/dbraw/zinc/24/05/61/930240561.db2.gz LCAZODYNFHWLKC-OLZOCXBDSA-N 2 2 294.399 0.528 20 0 CCADLP COCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001445762652 930240576 /nfs/dbraw/zinc/24/05/76/930240576.db2.gz LCAZODYNFHWLKC-OLZOCXBDSA-N 2 2 294.399 0.528 20 0 CCADLP C[C@@H](C[N@H+](C)C[C@H]1CCOC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001445811857 930255106 /nfs/dbraw/zinc/25/51/06/930255106.db2.gz IACWUHYAMFNWJY-NWDGAFQWSA-N 2 2 280.372 0.425 20 0 CCADLP C[C@@H](C[N@@H+](C)C[C@H]1CCOC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001445811857 930255116 /nfs/dbraw/zinc/25/51/16/930255116.db2.gz IACWUHYAMFNWJY-NWDGAFQWSA-N 2 2 280.372 0.425 20 0 CCADLP CC[C@@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+]C[C@H](C)O ZINC001373822952 930353525 /nfs/dbraw/zinc/35/35/25/930353525.db2.gz RJKYFOPNIIZCJG-RYUDHWBXSA-N 2 2 282.388 0.218 20 0 CCADLP COC[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001374237661 930461367 /nfs/dbraw/zinc/46/13/67/930461367.db2.gz ZRBXGUGORBYOIM-NWDGAFQWSA-N 2 2 282.388 0.814 20 0 CCADLP COC[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001374237661 930461373 /nfs/dbraw/zinc/46/13/73/930461373.db2.gz ZRBXGUGORBYOIM-NWDGAFQWSA-N 2 2 282.388 0.814 20 0 CCADLP CCC[NH+]1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001446895150 930512828 /nfs/dbraw/zinc/51/28/28/930512828.db2.gz OZPQBKPCEGYWEE-CQSZACIVSA-N 2 2 297.443 0.822 20 0 CCADLP CCC[NH+]1CC(O)(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001446895150 930512844 /nfs/dbraw/zinc/51/28/44/930512844.db2.gz OZPQBKPCEGYWEE-CQSZACIVSA-N 2 2 297.443 0.822 20 0 CCADLP CC(C)C[NH+]1CC(O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001446926936 930519848 /nfs/dbraw/zinc/51/98/48/930519848.db2.gz PMDSKDOICNDMJE-UHFFFAOYSA-N 2 2 294.399 0.482 20 0 CCADLP COC[C@H](C)[N@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001447375031 930618999 /nfs/dbraw/zinc/61/89/99/930618999.db2.gz PUNYOTPLOZHACR-ZDUSSCGKSA-N 2 2 282.388 0.698 20 0 CCADLP COC[C@H](C)[N@@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001447375031 930619002 /nfs/dbraw/zinc/61/90/02/930619002.db2.gz PUNYOTPLOZHACR-ZDUSSCGKSA-N 2 2 282.388 0.698 20 0 CCADLP C[C@H](C[NH2+]C[C@@H]1CCCCO1)NC(=O)CCn1cc[nH+]c1 ZINC001374796048 930666754 /nfs/dbraw/zinc/66/67/54/930666754.db2.gz PTCXCGQRMLNLQG-KGLIPLIRSA-N 2 2 294.399 0.937 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH2+]Cc1nnc(C)o1 ZINC001374919483 930723958 /nfs/dbraw/zinc/72/39/58/930723958.db2.gz QNFZONLPYUARGB-VIFPVBQESA-N 2 2 292.343 0.177 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[NH2+]C[C@H]1CCOC1 ZINC001374966532 930737748 /nfs/dbraw/zinc/73/77/48/930737748.db2.gz VVRHYGDSQITVKO-CMPLNLGQSA-N 2 2 280.372 0.391 20 0 CCADLP COCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001448046018 930799739 /nfs/dbraw/zinc/79/97/39/930799739.db2.gz NCRUESVFGVFZCJ-CHWSQXEVSA-N 2 2 294.399 0.528 20 0 CCADLP COCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001448046018 930799745 /nfs/dbraw/zinc/79/97/45/930799745.db2.gz NCRUESVFGVFZCJ-CHWSQXEVSA-N 2 2 294.399 0.528 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)CCn1cccn1 ZINC001448142862 930833381 /nfs/dbraw/zinc/83/33/81/930833381.db2.gz SIPHBBZZZXYCCP-ZDUSSCGKSA-N 2 2 290.371 0.216 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)CCn1cccn1 ZINC001448142862 930833385 /nfs/dbraw/zinc/83/33/85/930833385.db2.gz SIPHBBZZZXYCCP-ZDUSSCGKSA-N 2 2 290.371 0.216 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)CCn1cccn1 ZINC001448142859 930835110 /nfs/dbraw/zinc/83/51/10/930835110.db2.gz SIPHBBZZZXYCCP-CYBMUJFWSA-N 2 2 290.371 0.216 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)CCn1cccn1 ZINC001448142859 930835124 /nfs/dbraw/zinc/83/51/24/930835124.db2.gz SIPHBBZZZXYCCP-CYBMUJFWSA-N 2 2 290.371 0.216 20 0 CCADLP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CCO)c1ccccc1 ZINC001375373558 930866662 /nfs/dbraw/zinc/86/66/62/930866662.db2.gz BFVOPMADBXHRHG-LSDHHAIUSA-N 2 2 291.395 0.472 20 0 CCADLP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CC[N@H+]1CCO)c1ccccc1 ZINC001375373558 930866667 /nfs/dbraw/zinc/86/66/67/930866667.db2.gz BFVOPMADBXHRHG-LSDHHAIUSA-N 2 2 291.395 0.472 20 0 CCADLP Cc1noc(C[NH2+][C@H](C)CN(C)C(=O)CCC[NH+](C)C)n1 ZINC001448739979 930964799 /nfs/dbraw/zinc/96/47/99/930964799.db2.gz ROXACRVPISDIRJ-LLVKDONJSA-N 2 2 297.403 0.656 20 0 CCADLP CC[C@@H](C)C[NH2+][C@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001448948158 931032761 /nfs/dbraw/zinc/03/27/61/931032761.db2.gz PSWJZZTYNGFTIU-NEPJUHHUSA-N 2 2 282.388 0.075 20 0 CCADLP C[C@H](NC(=O)Cn1cc[nH+]c1)C1CC[NH+](CCCO)CC1 ZINC001449373842 931135517 /nfs/dbraw/zinc/13/55/17/931135517.db2.gz OZNXLCXNZAODQV-ZDUSSCGKSA-N 2 2 294.399 0.482 20 0 CCADLP COC[C@@H](C)[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001449395831 931138119 /nfs/dbraw/zinc/13/81/19/931138119.db2.gz XGPJEVARVHKPCA-XSRFYTQQSA-N 2 2 280.372 0.566 20 0 CCADLP COCC[N@@H+]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001376588167 931187365 /nfs/dbraw/zinc/18/73/65/931187365.db2.gz BITPCCJLYRQWRY-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP COCC[N@H+]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001376588167 931187374 /nfs/dbraw/zinc/18/73/74/931187374.db2.gz BITPCCJLYRQWRY-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP Cc1ncsc1C[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001376880866 931312489 /nfs/dbraw/zinc/31/24/89/931312489.db2.gz GUAJZMICACAMPO-SNVBAGLBSA-N 2 2 293.396 0.943 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H](C)CCNC(=O)CCc1[nH+]ccn1C ZINC001377061903 931372309 /nfs/dbraw/zinc/37/23/09/931372309.db2.gz REHBZTFTRQXMKZ-NWDGAFQWSA-N 2 2 282.388 0.218 20 0 CCADLP CCNS(=O)(=O)[C@H]1CC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000092842391 349507284 /nfs/dbraw/zinc/50/72/84/349507284.db2.gz MJLNYJOIWHFMLZ-LBPRGKRZSA-N 2 2 286.401 0.205 20 0 CCADLP CCNS(=O)(=O)[C@H]1CC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000092842391 349507287 /nfs/dbraw/zinc/50/72/87/349507287.db2.gz MJLNYJOIWHFMLZ-LBPRGKRZSA-N 2 2 286.401 0.205 20 0 CCADLP CC(=O)CCC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617503382 365658133 /nfs/dbraw/zinc/65/81/33/365658133.db2.gz HBNKOXCGAUJNEK-LBPRGKRZSA-N 2 2 271.405 0.744 20 0 CCADLP CC(=O)CCC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617503382 365658139 /nfs/dbraw/zinc/65/81/39/365658139.db2.gz HBNKOXCGAUJNEK-LBPRGKRZSA-N 2 2 271.405 0.744 20 0 CCADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cnnn2C)C1 ZINC000093741956 349552487 /nfs/dbraw/zinc/55/24/87/349552487.db2.gz DJCMETWOTNBJHS-GFCCVEGCSA-N 2 2 251.378 0.979 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnnn2C)C1 ZINC000093741956 349552490 /nfs/dbraw/zinc/55/24/90/349552490.db2.gz DJCMETWOTNBJHS-GFCCVEGCSA-N 2 2 251.378 0.979 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC000093741956 349552493 /nfs/dbraw/zinc/55/24/93/349552493.db2.gz DJCMETWOTNBJHS-GFCCVEGCSA-N 2 2 251.378 0.979 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC000093741956 349552495 /nfs/dbraw/zinc/55/24/95/349552495.db2.gz DJCMETWOTNBJHS-GFCCVEGCSA-N 2 2 251.378 0.979 20 0 CCADLP Cn1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000093821079 349555026 /nfs/dbraw/zinc/55/50/26/349555026.db2.gz VUZVHGRZVLIPED-OAHLLOKOSA-N 2 2 290.411 0.764 20 0 CCADLP Cn1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000093821079 349555030 /nfs/dbraw/zinc/55/50/30/349555030.db2.gz VUZVHGRZVLIPED-OAHLLOKOSA-N 2 2 290.411 0.764 20 0 CCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)NCC[NH+]1CCOCC1 ZINC000125160046 187172271 /nfs/dbraw/zinc/17/22/71/187172271.db2.gz VCWSJISUIPQGDB-CQSZACIVSA-N 2 2 298.431 0.492 20 0 CCADLP COc1cccc(CNC(=O)C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000094341216 349566770 /nfs/dbraw/zinc/56/67/70/349566770.db2.gz AABHVDVLZYCFBX-WFASDCNBSA-N 2 2 291.395 0.981 20 0 CCADLP COc1cccc(CNC(=O)C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000094341216 349566774 /nfs/dbraw/zinc/56/67/74/349566774.db2.gz AABHVDVLZYCFBX-WFASDCNBSA-N 2 2 291.395 0.981 20 0 CCADLP CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000094635457 349571347 /nfs/dbraw/zinc/57/13/47/349571347.db2.gz QGCGIEHBAACCMW-RYUDHWBXSA-N 2 2 271.386 0.829 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)NCC[C@H]2CCC[NH2+]2)CCO1 ZINC000418553179 529391744 /nfs/dbraw/zinc/39/17/44/529391744.db2.gz SHPPYFSXNFYWBY-ZIAGYGMSSA-N 2 2 298.431 0.539 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCC[C@H]2CCC[NH2+]2)CCO1 ZINC000418553179 529391746 /nfs/dbraw/zinc/39/17/46/529391746.db2.gz SHPPYFSXNFYWBY-ZIAGYGMSSA-N 2 2 298.431 0.539 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)/C=C/C[NH+](C)C)CCO1 ZINC000493769428 529390660 /nfs/dbraw/zinc/39/06/60/529390660.db2.gz GHSFGJFSFOUWEO-URWSZGRFSA-N 2 2 269.389 0.331 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)/C=C/C[NH+](C)C)CCO1 ZINC000493769428 529390662 /nfs/dbraw/zinc/39/06/62/529390662.db2.gz GHSFGJFSFOUWEO-URWSZGRFSA-N 2 2 269.389 0.331 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@@H](C[NH3+])C2CC2)CCO1 ZINC000418405402 529392682 /nfs/dbraw/zinc/39/26/82/529392682.db2.gz RCBYSOSULONLTH-OLZOCXBDSA-N 2 2 284.404 0.134 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@@H](C[NH3+])C2CC2)CCO1 ZINC000418405402 529392684 /nfs/dbraw/zinc/39/26/84/529392684.db2.gz RCBYSOSULONLTH-OLZOCXBDSA-N 2 2 284.404 0.134 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[N@H+](CCC(=O)OC)[C@H](C)C1 ZINC000423900122 529417164 /nfs/dbraw/zinc/41/71/64/529417164.db2.gz RIUORDCJZLPWSL-BZPMIXESSA-N 2 2 299.415 0.456 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[N@@H+](CCC(=O)OC)[C@H](C)C1 ZINC000423900122 529417166 /nfs/dbraw/zinc/41/71/66/529417166.db2.gz RIUORDCJZLPWSL-BZPMIXESSA-N 2 2 299.415 0.456 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000418740262 529445907 /nfs/dbraw/zinc/44/59/07/529445907.db2.gz ZOUSTJMGSXHUIK-AGIUHOORSA-N 2 2 284.404 0.228 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000493778864 529558204 /nfs/dbraw/zinc/55/82/04/529558204.db2.gz NCHSSKXATKPENG-UMBAGQNISA-N 2 2 284.310 0.982 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000418729642 529559135 /nfs/dbraw/zinc/55/91/35/529559135.db2.gz ODQBRXYZZYSMBA-CQSZACIVSA-N 2 2 291.399 0.646 20 0 CCADLP CCCN(CCC)C(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107574944 349738615 /nfs/dbraw/zinc/73/86/15/349738615.db2.gz IWENLBAHDMOBLY-CHWSQXEVSA-N 2 2 253.390 0.786 20 0 CCADLP CCc1cnc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)s1 ZINC000358173314 529652383 /nfs/dbraw/zinc/65/23/83/529652383.db2.gz WGESPAMRGGVYLC-GFCCVEGCSA-N 2 2 255.387 0.862 20 0 CCADLP CCc1cnc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)s1 ZINC000358173314 529652386 /nfs/dbraw/zinc/65/23/86/529652386.db2.gz WGESPAMRGGVYLC-GFCCVEGCSA-N 2 2 255.387 0.862 20 0 CCADLP CC[N@H+](CC[NH3+])CCC(=O)NC(=O)NCc1ccccc1 ZINC000600718394 362044536 /nfs/dbraw/zinc/04/45/36/362044536.db2.gz XDYRJPGSKMLOSS-UHFFFAOYSA-N 2 2 292.383 0.683 20 0 CCADLP CC[N@@H+](CC[NH3+])CCC(=O)NC(=O)NCc1ccccc1 ZINC000600718394 362044544 /nfs/dbraw/zinc/04/45/44/362044544.db2.gz XDYRJPGSKMLOSS-UHFFFAOYSA-N 2 2 292.383 0.683 20 0 CCADLP C[NH2+]CCNC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000416881748 290667504 /nfs/dbraw/zinc/66/75/04/290667504.db2.gz HOEVEAQTMBONHB-UHFFFAOYSA-N 2 2 275.356 0.863 20 0 CCADLP CCOC(=O)C1CC[NH+](Cc2cn(C[C@@H](C)[NH3+])nn2)CC1 ZINC000600969549 362107915 /nfs/dbraw/zinc/10/79/15/362107915.db2.gz HVXYPEYINYALFP-LLVKDONJSA-N 2 2 295.387 0.400 20 0 CCADLP CC[NH+](CC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C)C1CC1 ZINC000617730351 365740742 /nfs/dbraw/zinc/74/07/42/365740742.db2.gz LSKCLECDRIXAAR-STQMWFEESA-N 2 2 283.416 0.696 20 0 CCADLP CC[N@H+](CC(=O)NCC[NH+]1C[C@H](C)OC[C@@H]1C)C1CC1 ZINC000617730351 365740734 /nfs/dbraw/zinc/74/07/34/365740734.db2.gz LSKCLECDRIXAAR-STQMWFEESA-N 2 2 283.416 0.696 20 0 CCADLP CC[N@@H+](CC(=O)NCC[NH+]1C[C@H](C)OC[C@@H]1C)C1CC1 ZINC000617730351 365740739 /nfs/dbraw/zinc/74/07/39/365740739.db2.gz LSKCLECDRIXAAR-STQMWFEESA-N 2 2 283.416 0.696 20 0 CCADLP CC[NH+](CC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C)C1CC1 ZINC000617730351 365740749 /nfs/dbraw/zinc/74/07/49/365740749.db2.gz LSKCLECDRIXAAR-STQMWFEESA-N 2 2 283.416 0.696 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@H+](CCn2nc3ccccn3c2=O)C1 ZINC000113516157 349815791 /nfs/dbraw/zinc/81/57/91/349815791.db2.gz HJXAQGWIEJTNQF-ZDUSSCGKSA-N 2 2 289.383 0.380 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@@H+](CCn2nc3ccccn3c2=O)C1 ZINC000113516157 349815794 /nfs/dbraw/zinc/81/57/94/349815794.db2.gz HJXAQGWIEJTNQF-ZDUSSCGKSA-N 2 2 289.383 0.380 20 0 CCADLP CNc1ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cn1 ZINC000617764241 365768535 /nfs/dbraw/zinc/76/85/35/365768535.db2.gz OTDKMQBJNFMUEQ-UHFFFAOYSA-N 2 2 293.415 0.159 20 0 CCADLP CNc1ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000617764241 365768540 /nfs/dbraw/zinc/76/85/40/365768540.db2.gz OTDKMQBJNFMUEQ-UHFFFAOYSA-N 2 2 293.415 0.159 20 0 CCADLP C[C@H]1OCC[C@@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764742 365768797 /nfs/dbraw/zinc/76/87/97/365768797.db2.gz DUDGGXDPRYNBML-OLZOCXBDSA-N 2 2 271.405 0.411 20 0 CCADLP C[C@H]1OCC[C@@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764742 365768803 /nfs/dbraw/zinc/76/88/03/365768803.db2.gz DUDGGXDPRYNBML-OLZOCXBDSA-N 2 2 271.405 0.411 20 0 CCADLP CO[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)C(C)C ZINC000617764739 365768900 /nfs/dbraw/zinc/76/89/00/365768900.db2.gz DSDNOPZIFOTRBY-CYBMUJFWSA-N 2 2 273.421 0.657 20 0 CCADLP CO[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C(C)C ZINC000617764739 365768905 /nfs/dbraw/zinc/76/89/05/365768905.db2.gz DSDNOPZIFOTRBY-CYBMUJFWSA-N 2 2 273.421 0.657 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1C[C@@]12CCOC2 ZINC000617764981 365769397 /nfs/dbraw/zinc/76/93/97/365769397.db2.gz OWVBQHWVHWXJCT-UKRRQHHQSA-N 2 2 283.416 0.413 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1C[C@@]12CCOC2 ZINC000617764981 365769399 /nfs/dbraw/zinc/76/93/99/365769399.db2.gz OWVBQHWVHWXJCT-UKRRQHHQSA-N 2 2 283.416 0.413 20 0 CCADLP C[C@H]1COCC[C@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764843 365769658 /nfs/dbraw/zinc/76/96/58/365769658.db2.gz IXVWRVHMDBAZFF-UONOGXRCSA-N 2 2 285.432 0.659 20 0 CCADLP C[C@H]1COCC[C@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764843 365769662 /nfs/dbraw/zinc/76/96/62/365769662.db2.gz IXVWRVHMDBAZFF-UONOGXRCSA-N 2 2 285.432 0.659 20 0 CCADLP C[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1cnn(C)c1 ZINC000617765677 365770427 /nfs/dbraw/zinc/77/04/27/365770427.db2.gz LPECHRSVJJHRCU-ZDUSSCGKSA-N 2 2 295.431 0.523 20 0 CCADLP C[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1cnn(C)c1 ZINC000617765677 365770431 /nfs/dbraw/zinc/77/04/31/365770431.db2.gz LPECHRSVJJHRCU-ZDUSSCGKSA-N 2 2 295.431 0.523 20 0 CCADLP C[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)n1cccn1 ZINC000617767328 365773983 /nfs/dbraw/zinc/77/39/83/365773983.db2.gz POTFHBZTOBUQFG-CYBMUJFWSA-N 2 2 281.404 0.444 20 0 CCADLP C[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1cccn1 ZINC000617767328 365773986 /nfs/dbraw/zinc/77/39/86/365773986.db2.gz POTFHBZTOBUQFG-CYBMUJFWSA-N 2 2 281.404 0.444 20 0 CCADLP C[C@H]1CC(=O)CC[C@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765981 365770998 /nfs/dbraw/zinc/77/09/98/365770998.db2.gz YIDXDWDPMPYUIT-DZGCQCFKSA-N 2 2 297.443 0.991 20 0 CCADLP C[C@H]1CC(=O)CC[C@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765981 365771001 /nfs/dbraw/zinc/77/10/01/365771001.db2.gz YIDXDWDPMPYUIT-DZGCQCFKSA-N 2 2 297.443 0.991 20 0 CCADLP COCC(C)(C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765838 365771136 /nfs/dbraw/zinc/77/11/36/365771136.db2.gz SCICUBMLEJXNEF-UHFFFAOYSA-N 2 2 273.421 0.659 20 0 CCADLP COCC(C)(C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765838 365771139 /nfs/dbraw/zinc/77/11/39/365771139.db2.gz SCICUBMLEJXNEF-UHFFFAOYSA-N 2 2 273.421 0.659 20 0 CCADLP C[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1cnn(C)c1 ZINC000617765676 365771310 /nfs/dbraw/zinc/77/13/10/365771310.db2.gz LPECHRSVJJHRCU-CYBMUJFWSA-N 2 2 295.431 0.523 20 0 CCADLP C[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1cnn(C)c1 ZINC000617765676 365771315 /nfs/dbraw/zinc/77/13/15/365771315.db2.gz LPECHRSVJJHRCU-CYBMUJFWSA-N 2 2 295.431 0.523 20 0 CCADLP CN1CC[NH+](Cc2cccc(NC(=O)[C@@H]3C[C@@H]3[NH3+])c2)CC1 ZINC000424156993 529774759 /nfs/dbraw/zinc/77/47/59/529774759.db2.gz QDWFKLBYUNVGRT-CABCVRRESA-N 2 2 288.395 0.720 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)n1C ZINC000425355383 529808201 /nfs/dbraw/zinc/80/82/01/529808201.db2.gz ONCNZLVDCCGFLO-WCFLWFBJSA-N 2 2 264.373 0.689 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)n1C ZINC000425355383 529808203 /nfs/dbraw/zinc/80/82/03/529808203.db2.gz ONCNZLVDCCGFLO-WCFLWFBJSA-N 2 2 264.373 0.689 20 0 CCADLP C[C@H]1CC[NH2+][C@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000126897852 187269419 /nfs/dbraw/zinc/26/94/19/187269419.db2.gz GVGQPNFQFUIUGH-STQMWFEESA-N 2 2 283.416 0.602 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCCO[C@H]2CCOC2)n1C ZINC000425339388 529809339 /nfs/dbraw/zinc/80/93/39/529809339.db2.gz CLYZQHMRLQKELN-ZDUSSCGKSA-N 2 2 282.388 0.771 20 0 CCADLP CN(C)c1ncc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)s1 ZINC000358179344 529810352 /nfs/dbraw/zinc/81/03/52/529810352.db2.gz ZQYGKCMQDOHSTG-GFCCVEGCSA-N 2 2 270.402 0.365 20 0 CCADLP CN(C)c1ncc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)s1 ZINC000358179344 529810354 /nfs/dbraw/zinc/81/03/54/529810354.db2.gz ZQYGKCMQDOHSTG-GFCCVEGCSA-N 2 2 270.402 0.365 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H](CO)C2CCOCC2)n1C ZINC000425358000 529810418 /nfs/dbraw/zinc/81/04/18/529810418.db2.gz QNKJLVKEDSKKNA-ZDUSSCGKSA-N 2 2 282.388 0.363 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)n1C ZINC000425391641 529810490 /nfs/dbraw/zinc/81/04/90/529810490.db2.gz ZYPQKCCDGZVUQJ-GXTWGEPZSA-N 2 2 291.399 0.633 20 0 CCADLP CN(C)c1nccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)n1 ZINC000427145903 529812591 /nfs/dbraw/zinc/81/25/91/529812591.db2.gz UAXWZNVICZTDFG-AAEUAGOBSA-N 2 2 261.373 0.726 20 0 CCADLP CN(C)c1nccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)n1 ZINC000427145903 529812592 /nfs/dbraw/zinc/81/25/92/529812592.db2.gz UAXWZNVICZTDFG-AAEUAGOBSA-N 2 2 261.373 0.726 20 0 CCADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)CC[NH3+])C1 ZINC000423929972 529815031 /nfs/dbraw/zinc/81/50/31/529815031.db2.gz NFVXJGSJDYOLEJ-LLVKDONJSA-N 2 2 278.356 0.476 20 0 CCADLP CN1C[C@H](C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)OC1=O ZINC000495654876 529825986 /nfs/dbraw/zinc/82/59/86/529825986.db2.gz VHJOZJBEHUJGJX-QWHCGFSZSA-N 2 2 283.372 0.091 20 0 CCADLP CN1C[C@H](C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)OC1=O ZINC000495654876 529825987 /nfs/dbraw/zinc/82/59/87/529825987.db2.gz VHJOZJBEHUJGJX-QWHCGFSZSA-N 2 2 283.372 0.091 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)NCC(F)(F)C[NH3+] ZINC000418536240 529898114 /nfs/dbraw/zinc/89/81/14/529898114.db2.gz FYTILOGWZUYZII-UHFFFAOYSA-N 2 2 275.303 0.509 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000423747025 529911255 /nfs/dbraw/zinc/91/12/55/529911255.db2.gz OOCXSAAKBPLVJH-CQSZACIVSA-N 2 2 269.389 0.309 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@H](n2cccn2)C1)C1CC1 ZINC000361591538 529960298 /nfs/dbraw/zinc/96/02/98/529960298.db2.gz OCDCMVRNZCBKKR-KBPBESRZSA-N 2 2 264.373 0.585 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H](n2cccn2)C1)C1CC1 ZINC000361591538 529960299 /nfs/dbraw/zinc/96/02/99/529960299.db2.gz OCDCMVRNZCBKKR-KBPBESRZSA-N 2 2 264.373 0.585 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H](n2cccn2)C1)C1CC1 ZINC000361591538 529960300 /nfs/dbraw/zinc/96/03/00/529960300.db2.gz OCDCMVRNZCBKKR-KBPBESRZSA-N 2 2 264.373 0.585 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@H](n2cccn2)C1)C1CC1 ZINC000361591538 529960301 /nfs/dbraw/zinc/96/03/01/529960301.db2.gz OCDCMVRNZCBKKR-KBPBESRZSA-N 2 2 264.373 0.585 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000418387310 529996716 /nfs/dbraw/zinc/99/67/16/529996716.db2.gz MFFUTHSAXFIBOO-VHSXEESVSA-N 2 2 278.347 0.386 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)CC1 ZINC000451713172 530067970 /nfs/dbraw/zinc/06/79/70/530067970.db2.gz RKDDSQCWIMVXQU-RBSFLKMASA-N 2 2 295.427 0.243 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)CC1 ZINC000451713172 530067971 /nfs/dbraw/zinc/06/79/71/530067971.db2.gz RKDDSQCWIMVXQU-RBSFLKMASA-N 2 2 295.427 0.243 20 0 CCADLP Cc1ccc2ncc(C[NH2+]C[C@@]3(O)CC[N@@H+](C)C3)n2c1 ZINC000358179402 232058335 /nfs/dbraw/zinc/05/83/35/232058335.db2.gz ZWBGMBPWPUBFCX-HNNXBMFYSA-N 2 2 274.368 0.799 20 0 CCADLP Cc1ccc2ncc(C[NH2+]C[C@@]3(O)CC[N@H+](C)C3)n2c1 ZINC000358179402 232058338 /nfs/dbraw/zinc/05/83/38/232058338.db2.gz ZWBGMBPWPUBFCX-HNNXBMFYSA-N 2 2 274.368 0.799 20 0 CCADLP Cc1ccc(CCC[N@H+]2C[C@H](O)C[C@H](O)C2)c[nH+]1 ZINC000684361315 545654315 /nfs/dbraw/zinc/65/43/15/545654315.db2.gz AARXGGRBIDWCOF-OKILXGFUSA-N 2 2 250.342 0.750 20 0 CCADLP Cc1ccc(CCC[N@@H+]2C[C@H](O)C[C@H](O)C2)c[nH+]1 ZINC000684361315 545654321 /nfs/dbraw/zinc/65/43/21/545654321.db2.gz AARXGGRBIDWCOF-OKILXGFUSA-N 2 2 250.342 0.750 20 0 CCADLP COC(=O)c1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)n1C ZINC000602494890 362643235 /nfs/dbraw/zinc/64/32/35/362643235.db2.gz QNZUHWKVUMYQJT-GHMZBOCLSA-N 2 2 263.341 0.463 20 0 CCADLP COCCn1cc(C[NH2+]C2CC([NH+](C)C)C2)cn1 ZINC000573697751 334958952 /nfs/dbraw/zinc/95/89/52/334958952.db2.gz WURDSSJOQCPYOX-UHFFFAOYSA-N 2 2 252.362 0.712 20 0 CCADLP c1cn(CC[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)c[nH+]1 ZINC000367571487 232389647 /nfs/dbraw/zinc/38/96/47/232389647.db2.gz AXRUGROZEXHLNP-CHWSQXEVSA-N 2 2 251.330 0.763 20 0 CCADLP c1cn(CC[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)c[nH+]1 ZINC000367571487 232389657 /nfs/dbraw/zinc/38/96/57/232389657.db2.gz AXRUGROZEXHLNP-CHWSQXEVSA-N 2 2 251.330 0.763 20 0 CCADLP C[C@@H](C(=O)NCC[N@H+]1CC=CCC1)N1CC[NH+](C)CC1 ZINC000339203544 215010238 /nfs/dbraw/zinc/01/02/38/215010238.db2.gz WMGOAZDOUPMZDG-AWEZNQCLSA-N 2 2 280.416 0.000 20 0 CCADLP C[C@@H](C(=O)NCC[N@@H+]1CC=CCC1)N1CC[NH+](C)CC1 ZINC000339203544 215010239 /nfs/dbraw/zinc/01/02/39/215010239.db2.gz WMGOAZDOUPMZDG-AWEZNQCLSA-N 2 2 280.416 0.000 20 0 CCADLP C[C@@H](CC[S@](C)=O)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000602571741 362686085 /nfs/dbraw/zinc/68/60/85/362686085.db2.gz XJHCUAHXYFWOMU-BUXKBTBVSA-N 2 2 290.473 0.968 20 0 CCADLP COC(=O)c1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)n1C ZINC000602641023 362727431 /nfs/dbraw/zinc/72/74/31/362727431.db2.gz OLXIVSNBGJLERQ-TXEJJXNPSA-N 2 2 277.368 0.805 20 0 CCADLP COC(=O)c1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)n1C ZINC000602641023 362727432 /nfs/dbraw/zinc/72/74/32/362727432.db2.gz OLXIVSNBGJLERQ-TXEJJXNPSA-N 2 2 277.368 0.805 20 0 CCADLP COC(=O)c1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)n1C ZINC000602641023 362727436 /nfs/dbraw/zinc/72/74/36/362727436.db2.gz OLXIVSNBGJLERQ-TXEJJXNPSA-N 2 2 277.368 0.805 20 0 CCADLP COC(=O)c1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)n1C ZINC000602641023 362727439 /nfs/dbraw/zinc/72/74/39/362727439.db2.gz OLXIVSNBGJLERQ-TXEJJXNPSA-N 2 2 277.368 0.805 20 0 CCADLP C[NH+](C)C1(CS(=O)(=O)NCC[NH+]2CCCCC2)CC1 ZINC000631751735 370656661 /nfs/dbraw/zinc/65/66/61/370656661.db2.gz QGHMMUNRMALTHP-UHFFFAOYSA-N 2 2 289.445 0.486 20 0 CCADLP CCOC(=O)[C@H]([NH2+]CCc1c[nH+]cn1C)[C@@H]1CCCOC1 ZINC000602806323 362810253 /nfs/dbraw/zinc/81/02/53/362810253.db2.gz NJMXJGLJBYDXOZ-TZMCWYRMSA-N 2 2 295.383 0.911 20 0 CCADLP C[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)CC[S@]1=O ZINC000602823551 362820516 /nfs/dbraw/zinc/82/05/16/362820516.db2.gz VLSYNRBYLMJKBU-PIGZYNQJSA-N 2 2 255.387 0.806 20 0 CCADLP C[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)CC[S@]1=O ZINC000602823551 362820517 /nfs/dbraw/zinc/82/05/17/362820517.db2.gz VLSYNRBYLMJKBU-PIGZYNQJSA-N 2 2 255.387 0.806 20 0 CCADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261576557 137009590 /nfs/dbraw/zinc/00/95/90/137009590.db2.gz NTEDMTUJDMEVTK-XQQFMLRXSA-N 2 2 253.390 0.831 20 0 CCADLP CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261576557 137009591 /nfs/dbraw/zinc/00/95/91/137009591.db2.gz NTEDMTUJDMEVTK-XQQFMLRXSA-N 2 2 253.390 0.831 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261610374 137012475 /nfs/dbraw/zinc/01/24/75/137012475.db2.gz BEMCLPYJPIRNQV-YRGRVCCFSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261610374 137012476 /nfs/dbraw/zinc/01/24/76/137012476.db2.gz BEMCLPYJPIRNQV-YRGRVCCFSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@H](C)O1 ZINC000261652605 137013892 /nfs/dbraw/zinc/01/38/92/137013892.db2.gz DJVZGYXFWCFXCN-RQJABVFESA-N 2 2 281.400 0.164 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@H](C)O1 ZINC000261652605 137013893 /nfs/dbraw/zinc/01/38/93/137013893.db2.gz DJVZGYXFWCFXCN-RQJABVFESA-N 2 2 281.400 0.164 20 0 CCADLP C[C@H](C(=O)NCc1ccc[nH+]c1N(C)C)C1C[NH2+]C1 ZINC000262402466 137042295 /nfs/dbraw/zinc/04/22/95/137042295.db2.gz PPZLYNPQVNHEAZ-JTQLQIEISA-N 2 2 262.357 0.619 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000262704296 137051167 /nfs/dbraw/zinc/05/11/67/137051167.db2.gz KWFZPHFZENLNNT-JSGCOSHPSA-N 2 2 270.421 0.256 20 0 CCADLP O=C(NC1CC[NH+](CC2CC2)CC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262736379 137052042 /nfs/dbraw/zinc/05/20/42/137052042.db2.gz CEXAIUPSANQYES-GFCCVEGCSA-N 2 2 287.354 0.974 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000262969275 137056373 /nfs/dbraw/zinc/05/63/73/137056373.db2.gz LRJQXLUOXKWAGT-HBNTYKKESA-N 2 2 275.343 0.973 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000263019695 137056801 /nfs/dbraw/zinc/05/68/01/137056801.db2.gz QSSYWSFCAZMWQA-YCPHGPKFSA-N 2 2 296.459 0.646 20 0 CCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C[C@H](C)[NH3+] ZINC000261879127 137023682 /nfs/dbraw/zinc/02/36/82/137023682.db2.gz SVGYCOKIDBJNBC-JTQLQIEISA-N 2 2 278.356 0.902 20 0 CCADLP C[C@@H]([NH3+])CC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000261930581 137026736 /nfs/dbraw/zinc/02/67/36/137026736.db2.gz YWMJVTFFISBVHW-DGCLKSJQSA-N 2 2 287.429 0.048 20 0 CCADLP C[C@@H]1C[N@H+](Cc2ccccc2OCC(=O)N(C)C)C[C@@H]1[NH3+] ZINC000262009274 137028578 /nfs/dbraw/zinc/02/85/78/137028578.db2.gz MENZLLXMZTZDLE-OCCSQVGLSA-N 2 2 291.395 0.933 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2ccccc2OCC(=O)N(C)C)C[C@@H]1[NH3+] ZINC000262009274 137028579 /nfs/dbraw/zinc/02/85/79/137028579.db2.gz MENZLLXMZTZDLE-OCCSQVGLSA-N 2 2 291.395 0.933 20 0 CCADLP CC[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)CCCO1 ZINC000310951753 137073427 /nfs/dbraw/zinc/07/34/27/137073427.db2.gz NZAQRUKQYUSSHR-ZIAGYGMSSA-N 2 2 256.390 0.942 20 0 CCADLP CC[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)CCCO1 ZINC000310951753 137073428 /nfs/dbraw/zinc/07/34/28/137073428.db2.gz NZAQRUKQYUSSHR-ZIAGYGMSSA-N 2 2 256.390 0.942 20 0 CCADLP CC[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)CCCO1 ZINC000310951753 137073429 /nfs/dbraw/zinc/07/34/29/137073429.db2.gz NZAQRUKQYUSSHR-ZIAGYGMSSA-N 2 2 256.390 0.942 20 0 CCADLP CC[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CCCO1 ZINC000310951753 137073430 /nfs/dbraw/zinc/07/34/30/137073430.db2.gz NZAQRUKQYUSSHR-ZIAGYGMSSA-N 2 2 256.390 0.942 20 0 CCADLP CCn1nc(C[N@H+](C)C[C@H](O)C[NH3+])c2ccccc21 ZINC000312085370 137076602 /nfs/dbraw/zinc/07/66/02/137076602.db2.gz NNLGNBBFLUJTQS-LLVKDONJSA-N 2 2 262.357 0.808 20 0 CCADLP CCn1nc(C[N@@H+](C)C[C@H](O)C[NH3+])c2ccccc21 ZINC000312085370 137076603 /nfs/dbraw/zinc/07/66/03/137076603.db2.gz NNLGNBBFLUJTQS-LLVKDONJSA-N 2 2 262.357 0.808 20 0 CCADLP C[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000332886570 137082201 /nfs/dbraw/zinc/08/22/01/137082201.db2.gz LANWGNXKSSDDRO-QWRGUYRKSA-N 2 2 277.372 0.660 20 0 CCADLP C[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000332886570 137082202 /nfs/dbraw/zinc/08/22/02/137082202.db2.gz LANWGNXKSSDDRO-QWRGUYRKSA-N 2 2 277.372 0.660 20 0 CCADLP C[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000332886570 137082203 /nfs/dbraw/zinc/08/22/03/137082203.db2.gz LANWGNXKSSDDRO-QWRGUYRKSA-N 2 2 277.372 0.660 20 0 CCADLP C[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000332886570 137082204 /nfs/dbraw/zinc/08/22/04/137082204.db2.gz LANWGNXKSSDDRO-QWRGUYRKSA-N 2 2 277.372 0.660 20 0 CCADLP [NH3+]CC[N@H+](CCO)Cc1cc2ccccc2[nH]c1=O ZINC000342388576 137090869 /nfs/dbraw/zinc/09/08/69/137090869.db2.gz NUZSERWMEZZMNH-UHFFFAOYSA-N 2 2 261.325 0.693 20 0 CCADLP [NH3+]CC[N@@H+](CCO)Cc1cc2ccccc2[nH]c1=O ZINC000342388576 137090870 /nfs/dbraw/zinc/09/08/70/137090870.db2.gz NUZSERWMEZZMNH-UHFFFAOYSA-N 2 2 261.325 0.693 20 0 CCADLP COC[C@H]([NH3+])C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000263234928 137061263 /nfs/dbraw/zinc/06/12/63/137061263.db2.gz JDRHCYRCYSAVQM-ZDUSSCGKSA-N 2 2 299.415 0.111 20 0 CCADLP C[C@H](CNC(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C)[NH+]1CCOCC1 ZINC000343611960 137145604 /nfs/dbraw/zinc/14/56/04/137145604.db2.gz DQLUACDZPNUQSB-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](CNC(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C)[NH+]1CCOCC1 ZINC000343611960 137145605 /nfs/dbraw/zinc/14/56/05/137145605.db2.gz DQLUACDZPNUQSB-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1CN(C)C[C@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000343669821 137147936 /nfs/dbraw/zinc/14/79/36/137147936.db2.gz RHKYQPXDKBNVLP-TZMCWYRMSA-N 2 2 255.406 0.373 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000343866164 137163040 /nfs/dbraw/zinc/16/30/40/137163040.db2.gz JCWBMYKLJGUVEA-FPMFFAJLSA-N 2 2 281.400 0.354 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000343866164 137163041 /nfs/dbraw/zinc/16/30/41/137163041.db2.gz JCWBMYKLJGUVEA-FPMFFAJLSA-N 2 2 281.400 0.354 20 0 CCADLP CCn1ncnc1C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344054530 137175200 /nfs/dbraw/zinc/17/52/00/137175200.db2.gz JCEJLUWXPZDAPM-UHFFFAOYSA-N 2 2 282.436 0.613 20 0 CCADLP CCn1ncnc1C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344054530 137175201 /nfs/dbraw/zinc/17/52/01/137175201.db2.gz JCEJLUWXPZDAPM-UHFFFAOYSA-N 2 2 282.436 0.613 20 0 CCADLP NS(=O)(=O)C[C@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000343314831 137127618 /nfs/dbraw/zinc/12/76/18/137127618.db2.gz OISCZBGKPFQHRO-LBPRGKRZSA-N 2 2 286.401 0.274 20 0 CCADLP NS(=O)(=O)C[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000343314831 137127619 /nfs/dbraw/zinc/12/76/19/137127619.db2.gz OISCZBGKPFQHRO-LBPRGKRZSA-N 2 2 286.401 0.274 20 0 CCADLP CCN(CCC[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C)S(C)(=O)=O ZINC000343382699 137131626 /nfs/dbraw/zinc/13/16/26/137131626.db2.gz GZQGYAWKQZLDSE-STQMWFEESA-N 2 2 291.461 0.588 20 0 CCADLP CCN(CCC[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C)S(C)(=O)=O ZINC000343382699 137131627 /nfs/dbraw/zinc/13/16/27/137131627.db2.gz GZQGYAWKQZLDSE-STQMWFEESA-N 2 2 291.461 0.588 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000343381447 137131961 /nfs/dbraw/zinc/13/19/61/137131961.db2.gz ZQAGKQZHIONVTN-KWCYVHTRSA-N 2 2 281.400 0.164 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000343381447 137131962 /nfs/dbraw/zinc/13/19/62/137131962.db2.gz ZQAGKQZHIONVTN-KWCYVHTRSA-N 2 2 281.400 0.164 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000343381447 137131963 /nfs/dbraw/zinc/13/19/63/137131963.db2.gz ZQAGKQZHIONVTN-KWCYVHTRSA-N 2 2 281.400 0.164 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000343381447 137131964 /nfs/dbraw/zinc/13/19/64/137131964.db2.gz ZQAGKQZHIONVTN-KWCYVHTRSA-N 2 2 281.400 0.164 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000344282818 137187087 /nfs/dbraw/zinc/18/70/87/137187087.db2.gz MVRFELJUWNBGBT-PMPSAXMXSA-N 3 2 282.476 0.800 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000344282818 137187088 /nfs/dbraw/zinc/18/70/88/137187088.db2.gz MVRFELJUWNBGBT-PMPSAXMXSA-N 3 2 282.476 0.800 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000013694388 348029542 /nfs/dbraw/zinc/02/95/42/348029542.db2.gz BETVDUBKQAMJMD-UHFFFAOYSA-N 2 2 279.388 0.457 20 0 CCADLP c1cn([C@@H]2COC[C@H]2[NH2+]Cc2cccc3[nH+]ccn32)nn1 ZINC000344501709 137197924 /nfs/dbraw/zinc/19/79/24/137197924.db2.gz VGFQQARMCHWREV-CHWSQXEVSA-N 2 2 284.323 0.656 20 0 CCADLP COC(=O)CN1CCC([NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000344699900 137208492 /nfs/dbraw/zinc/20/84/92/137208492.db2.gz AVKVEHIXDFJRQT-OCCSQVGLSA-N 2 2 283.416 0.696 20 0 CCADLP COC(=O)CN1CCC([NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000344699900 137208493 /nfs/dbraw/zinc/20/84/93/137208493.db2.gz AVKVEHIXDFJRQT-OCCSQVGLSA-N 2 2 283.416 0.696 20 0 CCADLP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)C[NH+]1CCCC1 ZINC000037904547 348218023 /nfs/dbraw/zinc/21/80/23/348218023.db2.gz RGNJPMHRBHMDDD-HIFRSBDPSA-N 3 2 267.417 0.517 20 0 CCADLP O[C@@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C[NH+]1CCCC1 ZINC000037904547 348218026 /nfs/dbraw/zinc/21/80/26/348218026.db2.gz RGNJPMHRBHMDDD-HIFRSBDPSA-N 3 2 267.417 0.517 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917687 348218246 /nfs/dbraw/zinc/21/82/46/348218246.db2.gz JSUQLGAEFVHIBP-NEPJUHHUSA-N 2 2 282.388 0.296 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917687 348218248 /nfs/dbraw/zinc/21/82/48/348218248.db2.gz JSUQLGAEFVHIBP-NEPJUHHUSA-N 2 2 282.388 0.296 20 0 CCADLP Cc1[nH]c2ccc(NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)cc2[nH+]1 ZINC000037042057 348183494 /nfs/dbraw/zinc/18/34/94/348183494.db2.gz KPABCFAQPCYCBB-BXKDBHETSA-N 2 2 260.297 0.533 20 0 CCADLP O=C(C[NH2+]CC1CC1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000037818478 348210381 /nfs/dbraw/zinc/21/03/81/348210381.db2.gz KWJAPFURWYDVNW-UHFFFAOYSA-N 2 2 288.395 0.725 20 0 CCADLP CC(C)([NH3+])C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000040923846 348244999 /nfs/dbraw/zinc/24/49/99/348244999.db2.gz ZRXWJHFFUFBARC-UHFFFAOYSA-N 2 2 262.357 0.463 20 0 CCADLP C(C[NH+]1CCC([NH+]2CCCCC2)CC1)N1CC[NH2+]CC1 ZINC000042277599 348273149 /nfs/dbraw/zinc/27/31/49/348273149.db2.gz BGYFHVJIVHIIMY-UHFFFAOYSA-N 3 2 280.460 0.842 20 0 CCADLP C[C@@H](O)C[N@H+](C)C1CCN(CCn2cc[nH+]c2)CC1 ZINC000346323221 137279066 /nfs/dbraw/zinc/27/90/66/137279066.db2.gz KFLVYABFNSYKDE-CYBMUJFWSA-N 2 2 266.389 0.660 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C1CCN(CCn2cc[nH+]c2)CC1 ZINC000346323221 137279067 /nfs/dbraw/zinc/27/90/67/137279067.db2.gz KFLVYABFNSYKDE-CYBMUJFWSA-N 2 2 266.389 0.660 20 0 CCADLP C[C@@H](O)C[N@H+](C)C1CC[NH+](CCn2ccnc2)CC1 ZINC000346323221 137279068 /nfs/dbraw/zinc/27/90/68/137279068.db2.gz KFLVYABFNSYKDE-CYBMUJFWSA-N 2 2 266.389 0.660 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+](CCn2ccnc2)CC1 ZINC000346323221 137279069 /nfs/dbraw/zinc/27/90/69/137279069.db2.gz KFLVYABFNSYKDE-CYBMUJFWSA-N 2 2 266.389 0.660 20 0 CCADLP [NH3+]CC1CC[NH+](Cc2nnnn2Cc2ccccc2)CC1 ZINC000044514236 348321829 /nfs/dbraw/zinc/32/18/29/348321829.db2.gz JCUZJLTZKNJFTC-UHFFFAOYSA-N 2 2 286.383 0.892 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cn1C ZINC000346660706 137297563 /nfs/dbraw/zinc/29/75/63/137297563.db2.gz JJAWUINIXGKVPL-AWEZNQCLSA-N 2 2 283.372 0.214 20 0 CCADLP COC(=O)[C@@]1(C)C[C@@H](OC)C[N@@H+]1CCn1cc[nH+]c1 ZINC000602946343 362903088 /nfs/dbraw/zinc/90/30/88/362903088.db2.gz UIFNDSYICHABAZ-DGCLKSJQSA-N 2 2 267.329 0.536 20 0 CCADLP COC(=O)[C@@]1(C)C[C@@H](OC)C[N@H+]1CCn1cc[nH+]c1 ZINC000602946343 362903094 /nfs/dbraw/zinc/90/30/94/362903094.db2.gz UIFNDSYICHABAZ-DGCLKSJQSA-N 2 2 267.329 0.536 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000347514326 137340631 /nfs/dbraw/zinc/34/06/31/137340631.db2.gz FRHAMBFWYQNCCP-LBPRGKRZSA-N 2 2 289.379 0.740 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000347514326 137340632 /nfs/dbraw/zinc/34/06/32/137340632.db2.gz FRHAMBFWYQNCCP-LBPRGKRZSA-N 2 2 289.379 0.740 20 0 CCADLP C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)[C@H]1C[N@H+](C)CCO1 ZINC000684464098 545675880 /nfs/dbraw/zinc/67/58/80/545675880.db2.gz PBDLVBNDTIURLE-ZYHUDNBSSA-N 2 2 266.345 0.178 20 0 CCADLP C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)[C@H]1C[N@@H+](C)CCO1 ZINC000684464098 545675882 /nfs/dbraw/zinc/67/58/82/545675882.db2.gz PBDLVBNDTIURLE-ZYHUDNBSSA-N 2 2 266.345 0.178 20 0 CCADLP C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)[C@H]1C[N@H+](C)CCO1 ZINC000684464098 545675887 /nfs/dbraw/zinc/67/58/87/545675887.db2.gz PBDLVBNDTIURLE-ZYHUDNBSSA-N 2 2 266.345 0.178 20 0 CCADLP C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)[C@H]1C[N@@H+](C)CCO1 ZINC000684464098 545675895 /nfs/dbraw/zinc/67/58/95/545675895.db2.gz PBDLVBNDTIURLE-ZYHUDNBSSA-N 2 2 266.345 0.178 20 0 CCADLP COc1cc[nH+]cc1NC(=O)CCOC1C[NH2+]C1 ZINC000349028390 137384852 /nfs/dbraw/zinc/38/48/52/137384852.db2.gz ONQKYHHAXYMIGK-UHFFFAOYSA-N 2 2 251.286 0.407 20 0 CCADLP CC(C)OCC[C@H](O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000349215318 137389744 /nfs/dbraw/zinc/38/97/44/137389744.db2.gz NGRANLWGXRAFRB-HNNXBMFYSA-N 2 2 288.432 0.551 20 0 CCADLP CC(C)OCC[C@H](O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000349215318 137389745 /nfs/dbraw/zinc/38/97/45/137389745.db2.gz NGRANLWGXRAFRB-HNNXBMFYSA-N 2 2 288.432 0.551 20 0 CCADLP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000349310842 137391728 /nfs/dbraw/zinc/39/17/28/137391728.db2.gz HQEIIJNXEVSZAG-KFWWJZLASA-N 3 2 268.449 0.552 20 0 CCADLP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000349310842 137391729 /nfs/dbraw/zinc/39/17/29/137391729.db2.gz HQEIIJNXEVSZAG-KFWWJZLASA-N 3 2 268.449 0.552 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCOCC1 ZINC000349679948 137399715 /nfs/dbraw/zinc/39/97/15/137399715.db2.gz ODIYYSGDFGKCEH-AWEZNQCLSA-N 2 2 298.431 0.492 20 0 CCADLP CCC[N@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCOCC1 ZINC000349679948 137399716 /nfs/dbraw/zinc/39/97/16/137399716.db2.gz ODIYYSGDFGKCEH-AWEZNQCLSA-N 2 2 298.431 0.492 20 0 CCADLP COCC[NH+]1CCN(CCc2c[nH+]cn2C)CC1 ZINC000347739110 137353762 /nfs/dbraw/zinc/35/37/62/137353762.db2.gz YJZOBBHFIOERMW-UHFFFAOYSA-N 2 2 252.362 0.227 20 0 CCADLP CC(C)[C@@H](C[NH2+]Cc1nccn1C)N1CC[NH+](C)CC1 ZINC000051924066 348501149 /nfs/dbraw/zinc/50/11/49/348501149.db2.gz MCDORQLNLDEMKX-CQSZACIVSA-N 2 2 279.432 0.782 20 0 CCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C(C)(C)[NH3+] ZINC000335605071 212317890 /nfs/dbraw/zinc/31/78/90/212317890.db2.gz JIGAFNLBIUSXJD-UHFFFAOYSA-N 2 2 250.346 0.915 20 0 CCADLP C[C@H]([NH3+])CCC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000070317720 348885673 /nfs/dbraw/zinc/88/56/73/348885673.db2.gz UGFIXMRLXQVRCW-LBPRGKRZSA-N 2 2 292.383 0.662 20 0 CCADLP CC(C)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000070981364 348901026 /nfs/dbraw/zinc/90/10/26/348901026.db2.gz WBTUNKCJUFWVOI-CQSZACIVSA-N 2 2 255.406 0.781 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)N1CCOCC1 ZINC000075835960 349053369 /nfs/dbraw/zinc/05/33/69/349053369.db2.gz YAFJLJLZRRTWPU-HNNXBMFYSA-N 2 2 295.427 0.653 20 0 CCADLP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)N1CCOCC1 ZINC000075835960 349053374 /nfs/dbraw/zinc/05/33/74/349053374.db2.gz YAFJLJLZRRTWPU-HNNXBMFYSA-N 2 2 295.427 0.653 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC000076003174 349062450 /nfs/dbraw/zinc/06/24/50/349062450.db2.gz ORKGNSCVRWFVTL-LBPRGKRZSA-N 2 2 282.388 0.202 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC000076003174 349062452 /nfs/dbraw/zinc/06/24/52/349062452.db2.gz ORKGNSCVRWFVTL-LBPRGKRZSA-N 2 2 282.388 0.202 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CCOC)CC1 ZINC000077408627 349109463 /nfs/dbraw/zinc/10/94/63/349109463.db2.gz RDHPFIWRRQPBOY-LBPRGKRZSA-N 2 2 257.378 0.117 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CCOC)CC1 ZINC000077408627 349109465 /nfs/dbraw/zinc/10/94/65/349109465.db2.gz RDHPFIWRRQPBOY-LBPRGKRZSA-N 2 2 257.378 0.117 20 0 CCADLP Cc1nc(N2CC[C@@H](C[NH+]3CCOCC3)C2)cc[nH+]1 ZINC000078404723 349138343 /nfs/dbraw/zinc/13/83/43/349138343.db2.gz PFLMUCDBXGBWHI-ZDUSSCGKSA-N 2 2 262.357 0.944 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC2CC2)[C@H](C)C1 ZINC000081096020 349245994 /nfs/dbraw/zinc/24/59/94/349245994.db2.gz DTOBYNHETAFRKY-DGCLKSJQSA-N 2 2 253.390 0.927 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC2CC2)[C@H](C)C1 ZINC000081096020 349245998 /nfs/dbraw/zinc/24/59/98/349245998.db2.gz DTOBYNHETAFRKY-DGCLKSJQSA-N 2 2 253.390 0.927 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC2CC2)[C@H](C)C1 ZINC000081096020 349246000 /nfs/dbraw/zinc/24/60/00/349246000.db2.gz DTOBYNHETAFRKY-DGCLKSJQSA-N 2 2 253.390 0.927 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC2CC2)[C@H](C)C1 ZINC000081096020 349246003 /nfs/dbraw/zinc/24/60/03/349246003.db2.gz DTOBYNHETAFRKY-DGCLKSJQSA-N 2 2 253.390 0.927 20 0 CCADLP CC[NH+]1CCN(CC(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000081257327 349253061 /nfs/dbraw/zinc/25/30/61/349253061.db2.gz MKZZWVRKBQXXLV-CYBMUJFWSA-N 2 2 279.388 0.025 20 0 CCADLP O=C(NCc1[nH]cc[nH+]1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000087619945 349352439 /nfs/dbraw/zinc/35/24/39/349352439.db2.gz HWXILHIMHPGHDO-LBPRGKRZSA-N 2 2 256.309 0.913 20 0 CCADLP [NH3+]C1(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000088129831 349356781 /nfs/dbraw/zinc/35/67/81/349356781.db2.gz CYKAMUUTLUEXNT-UHFFFAOYSA-N 2 2 260.341 0.658 20 0 CCADLP CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926757 349413148 /nfs/dbraw/zinc/41/31/48/349413148.db2.gz LNYKVHKRHFNKQH-CHWSQXEVSA-N 2 2 293.415 0.845 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000123662296 350080170 /nfs/dbraw/zinc/08/01/70/350080170.db2.gz SXOLNYIHAOINGG-SNVBAGLBSA-N 2 2 258.366 0.137 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000123662296 350080174 /nfs/dbraw/zinc/08/01/74/350080174.db2.gz SXOLNYIHAOINGG-SNVBAGLBSA-N 2 2 258.366 0.137 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCc1c[nH+]cn1C ZINC000121487541 350042002 /nfs/dbraw/zinc/04/20/02/350042002.db2.gz XLXSGBLLKIQQHA-CYBMUJFWSA-N 2 2 264.373 0.953 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCCc1c[nH+]cn1C ZINC000121487541 350042005 /nfs/dbraw/zinc/04/20/05/350042005.db2.gz XLXSGBLLKIQQHA-CYBMUJFWSA-N 2 2 264.373 0.953 20 0 CCADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(=O)n3[nH]ccc3n2)CC[N@@H+]1C ZINC000124040946 350088509 /nfs/dbraw/zinc/08/85/09/350088509.db2.gz FKKXZHZPKVKTAL-AAEUAGOBSA-N 2 2 289.383 0.937 20 0 CCADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(=O)n3[nH]ccc3n2)CC[N@H+]1C ZINC000124040946 350088510 /nfs/dbraw/zinc/08/85/10/350088510.db2.gz FKKXZHZPKVKTAL-AAEUAGOBSA-N 2 2 289.383 0.937 20 0 CCADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(=O)n3[nH]ccc3n2)CC[NH+]1C ZINC000124040946 350088511 /nfs/dbraw/zinc/08/85/11/350088511.db2.gz FKKXZHZPKVKTAL-AAEUAGOBSA-N 2 2 289.383 0.937 20 0 CCADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(=O)n3[nH]ccc3n2)CC[NH+]1C ZINC000124040946 350088512 /nfs/dbraw/zinc/08/85/12/350088512.db2.gz FKKXZHZPKVKTAL-AAEUAGOBSA-N 2 2 289.383 0.937 20 0 CCADLP C[N@@H+]1CCN(C(=O)c2cccc3[nH]ccc32)[C@@H](C[NH3+])C1 ZINC000124285068 350093440 /nfs/dbraw/zinc/09/34/40/350093440.db2.gz JPCRKHBORSZTSR-NSHDSACASA-N 2 2 272.352 0.883 20 0 CCADLP COc1ccc(CCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000124319586 350095862 /nfs/dbraw/zinc/09/58/62/350095862.db2.gz DWIFNOGWZGUIMW-AWEZNQCLSA-N 2 2 291.395 0.729 20 0 CCADLP COc1ccc(CCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000124319586 350095867 /nfs/dbraw/zinc/09/58/67/350095867.db2.gz DWIFNOGWZGUIMW-AWEZNQCLSA-N 2 2 291.395 0.729 20 0 CCADLP COC(=O)c1cc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])oc1C ZINC000124412646 350097202 /nfs/dbraw/zinc/09/72/02/350097202.db2.gz FPQOGDSPRJIRPM-NSHDSACASA-N 2 2 281.356 0.449 20 0 CCADLP COC(=O)c1cc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])oc1C ZINC000124412646 350097208 /nfs/dbraw/zinc/09/72/08/350097208.db2.gz FPQOGDSPRJIRPM-NSHDSACASA-N 2 2 281.356 0.449 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2C[C@H](O)C2(C)C)n1C ZINC000128076549 350185066 /nfs/dbraw/zinc/18/50/66/350185066.db2.gz VOHLMNPBKSEKEL-QWRGUYRKSA-N 2 2 252.362 0.735 20 0 CCADLP CC[NH+](CC)CCNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000105069438 186039539 /nfs/dbraw/zinc/03/95/39/186039539.db2.gz OMLZOWBRTODKGY-UHFFFAOYSA-N 2 2 286.420 0.302 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000091669191 180223837 /nfs/dbraw/zinc/22/38/37/180223837.db2.gz JJHHXXDFPSMUGG-CRWXNKLISA-N 2 2 281.400 0.354 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000091669191 180223838 /nfs/dbraw/zinc/22/38/38/180223838.db2.gz JJHHXXDFPSMUGG-CRWXNKLISA-N 2 2 281.400 0.354 20 0 CCADLP CCOCCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000130225057 350232929 /nfs/dbraw/zinc/23/29/29/350232929.db2.gz ZGYZPGPKRISCHQ-UHFFFAOYSA-N 2 2 257.378 0.119 20 0 CCADLP O=C(C[C@H]1CC[NH2+]C1)NCCc1cn2ccccc2[nH+]1 ZINC000130356637 350236135 /nfs/dbraw/zinc/23/61/35/350236135.db2.gz AQIQKNZCTYQXIZ-GFCCVEGCSA-N 2 2 272.352 0.993 20 0 CCADLP COCCCNC(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000133570097 350339521 /nfs/dbraw/zinc/33/95/21/350339521.db2.gz GQYPLWJVMXCZOC-GFCCVEGCSA-N 2 2 259.394 0.444 20 0 CCADLP COCCCNC(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000133570097 350339523 /nfs/dbraw/zinc/33/95/23/350339523.db2.gz GQYPLWJVMXCZOC-GFCCVEGCSA-N 2 2 259.394 0.444 20 0 CCADLP CCO[C@H]1C[C@]([NH3+])(C(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000133725507 350343184 /nfs/dbraw/zinc/34/31/84/350343184.db2.gz LURUBAIYJZYLEZ-FZMZJTMJSA-N 2 2 269.389 0.293 20 0 CCADLP C[C@H](CNC(=O)CCCn1cc[nH+]c1)C[NH+]1CCOCC1 ZINC000133946187 350349718 /nfs/dbraw/zinc/34/97/18/350349718.db2.gz CDYYMGQXLKCSRC-CQSZACIVSA-N 2 2 294.399 0.748 20 0 CCADLP C[C@H](C(=O)N(C)[C@@H]1CCC[N@H+](C)C1)[NH+]1CCSCC1 ZINC000152983418 350548414 /nfs/dbraw/zinc/54/84/14/350548414.db2.gz MGPZYLWHAMDNBR-CHWSQXEVSA-N 2 2 285.457 0.976 20 0 CCADLP C[C@H](C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCSCC1 ZINC000152983418 350548417 /nfs/dbraw/zinc/54/84/17/350548417.db2.gz MGPZYLWHAMDNBR-CHWSQXEVSA-N 2 2 285.457 0.976 20 0 CCADLP CCC[NH+]1CCC([N@H+](C)CCNS(C)(=O)=O)CC1 ZINC000109787829 186271914 /nfs/dbraw/zinc/27/19/14/186271914.db2.gz WHJAHEVDTREROY-UHFFFAOYSA-N 2 2 277.434 0.342 20 0 CCADLP CCC[NH+]1CCC([N@@H+](C)CCNS(C)(=O)=O)CC1 ZINC000109787829 186271916 /nfs/dbraw/zinc/27/19/16/186271916.db2.gz WHJAHEVDTREROY-UHFFFAOYSA-N 2 2 277.434 0.342 20 0 CCADLP CSCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000157333583 350643511 /nfs/dbraw/zinc/64/35/11/350643511.db2.gz SHVIKJBOAHRQHB-RYUDHWBXSA-N 2 2 287.429 0.046 20 0 CCADLP CSCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000157333583 350643514 /nfs/dbraw/zinc/64/35/14/350643514.db2.gz SHVIKJBOAHRQHB-RYUDHWBXSA-N 2 2 287.429 0.046 20 0 CCADLP C[C@H]([NH3+])C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000110647367 186310024 /nfs/dbraw/zinc/31/00/24/186310024.db2.gz YKUPHIFZIJQEFM-NSHDSACASA-N 2 2 250.346 0.859 20 0 CCADLP COc1ccc(OCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000162392468 350742423 /nfs/dbraw/zinc/74/24/23/350742423.db2.gz KMLOZXDSSQCZFY-LBPRGKRZSA-N 2 2 293.367 0.175 20 0 CCADLP COc1ccc(OCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000162392468 350742427 /nfs/dbraw/zinc/74/24/27/350742427.db2.gz KMLOZXDSSQCZFY-LBPRGKRZSA-N 2 2 293.367 0.175 20 0 CCADLP c1cn(C[C@@H]2CCC[N@@H+](CCn3cc[nH+]c3)C2)nn1 ZINC000163401959 350765316 /nfs/dbraw/zinc/76/53/16/350765316.db2.gz JJFWPVISQAPLSC-CYBMUJFWSA-N 2 2 260.345 0.887 20 0 CCADLP c1cn(C[C@@H]2CCC[N@H+](CCn3cc[nH+]c3)C2)nn1 ZINC000163401959 350765318 /nfs/dbraw/zinc/76/53/18/350765318.db2.gz JJFWPVISQAPLSC-CYBMUJFWSA-N 2 2 260.345 0.887 20 0 CCADLP C[C@H]([NH3+])C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000163868134 350774141 /nfs/dbraw/zinc/77/41/41/350774141.db2.gz JCZUJNOJXNDPHM-JSGCOSHPSA-N 2 2 277.368 0.523 20 0 CCADLP Nc1nc(N)nc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000171388475 350905801 /nfs/dbraw/zinc/90/58/01/350905801.db2.gz SHNCJZAUHJCAIP-UHFFFAOYSA-N 2 2 291.403 0.344 20 0 CCADLP CN(CC1CC[NH+](C)CC1)C(=O)NCCn1cc[nH+]c1 ZINC000171409385 350906870 /nfs/dbraw/zinc/90/68/70/350906870.db2.gz SBXHTULPCRCQQK-UHFFFAOYSA-N 2 2 279.388 0.866 20 0 CCADLP O=C1C[C@H]([NH2+]Cc2ccco2)CN1CC[NH+]1CCOCC1 ZINC000172698175 351005757 /nfs/dbraw/zinc/00/57/57/351005757.db2.gz LSHCTSYXKUZLQA-ZDUSSCGKSA-N 2 2 293.367 0.302 20 0 CCADLP CC(C)NC(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000172936183 351017958 /nfs/dbraw/zinc/01/79/58/351017958.db2.gz DIHKOUWINKRUET-CQSZACIVSA-N 2 2 283.416 0.555 20 0 CCADLP CC(C)NC(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000172936183 351017963 /nfs/dbraw/zinc/01/79/63/351017963.db2.gz DIHKOUWINKRUET-CQSZACIVSA-N 2 2 283.416 0.555 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000175001705 351114576 /nfs/dbraw/zinc/11/45/76/351114576.db2.gz CEYKJLAECWPKAV-CYBMUJFWSA-N 2 2 292.383 0.721 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000175001705 351114578 /nfs/dbraw/zinc/11/45/78/351114578.db2.gz CEYKJLAECWPKAV-CYBMUJFWSA-N 2 2 292.383 0.721 20 0 CCADLP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000174642326 351096080 /nfs/dbraw/zinc/09/60/80/351096080.db2.gz GQPLSQKNVQXHOB-CQSZACIVSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H](NC(=O)C[NH+](C)C)C1([NH+]2CCOCC2)CCCC1 ZINC000175927256 351150089 /nfs/dbraw/zinc/15/00/89/351150089.db2.gz GANWDSJVSSCCMY-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)C2CC[NH2+]CC2)CCO1 ZINC000178743960 351243776 /nfs/dbraw/zinc/24/37/76/351243776.db2.gz YKVBOCRSCDWXBH-UHFFFAOYSA-N 2 2 269.389 0.213 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)C2CC[NH2+]CC2)CCO1 ZINC000178743960 351243779 /nfs/dbraw/zinc/24/37/79/351243779.db2.gz YKVBOCRSCDWXBH-UHFFFAOYSA-N 2 2 269.389 0.213 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@H]2CCCC[NH2+]2)CCO1 ZINC000178744191 351243929 /nfs/dbraw/zinc/24/39/29/351243929.db2.gz ATVZGJRJDVSKJP-GFCCVEGCSA-N 2 2 269.389 0.356 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@H]2CCCC[NH2+]2)CCO1 ZINC000178744191 351243931 /nfs/dbraw/zinc/24/39/31/351243931.db2.gz ATVZGJRJDVSKJP-GFCCVEGCSA-N 2 2 269.389 0.356 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]C2)C[C@@H]1[NH+]1CCOCC1 ZINC000178860085 351249240 /nfs/dbraw/zinc/24/92/40/351249240.db2.gz JYUKQBVOQMGNMN-MCIONIFRSA-N 2 2 281.400 0.165 20 0 CCADLP Cc1ncsc1C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000180487058 351287065 /nfs/dbraw/zinc/28/70/65/351287065.db2.gz SSAMOTCXXQMOPC-UHFFFAOYSA-N 2 2 282.413 0.657 20 0 CCADLP Cc1ncsc1C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000180487058 351287068 /nfs/dbraw/zinc/28/70/68/351287068.db2.gz SSAMOTCXXQMOPC-UHFFFAOYSA-N 2 2 282.413 0.657 20 0 CCADLP CC(C)[C@@H](C)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181044457 351301061 /nfs/dbraw/zinc/30/10/61/351301061.db2.gz XRKWHELNPNLXLN-KGLIPLIRSA-N 2 2 283.416 0.554 20 0 CCADLP C[N@@H+](CCCC(=O)NC(N)=O)CCCn1cc[nH+]c1 ZINC000181059168 351301487 /nfs/dbraw/zinc/30/14/87/351301487.db2.gz QCLWEWOTWFDUBP-UHFFFAOYSA-N 2 2 267.333 0.180 20 0 CCADLP C[N@H+](CCCC(=O)NC(N)=O)CCCn1cc[nH+]c1 ZINC000181059168 351301490 /nfs/dbraw/zinc/30/14/90/351301490.db2.gz QCLWEWOTWFDUBP-UHFFFAOYSA-N 2 2 267.333 0.180 20 0 CCADLP Cc1nc(NCCN2CC[NH+](C)CC2)c2c([nH+]1)CCCC2 ZINC000541077637 290925190 /nfs/dbraw/zinc/92/51/90/290925190.db2.gz ZDSDBATXOYMOJW-UHFFFAOYSA-N 2 2 289.427 0.745 20 0 CCADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000187962276 351567052 /nfs/dbraw/zinc/56/70/52/351567052.db2.gz GRZNPUBROXBHAP-NWDGAFQWSA-N 2 2 274.324 0.327 20 0 CCADLP C[C@@H]1CC[C@H](C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)O1 ZINC000190724817 351732501 /nfs/dbraw/zinc/73/25/01/351732501.db2.gz NBUOUXFKEXBQDF-KFWWJZLASA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]1CC[C@H](C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)O1 ZINC000190724817 351732502 /nfs/dbraw/zinc/73/25/02/351732502.db2.gz NBUOUXFKEXBQDF-KFWWJZLASA-N 2 2 295.427 0.792 20 0 CCADLP COCCN1CCC[N@H+](CCCn2cc[nH+]c2)CC1=O ZINC000190787278 351734527 /nfs/dbraw/zinc/73/45/27/351734527.db2.gz PTCXKISVKCEMAK-UHFFFAOYSA-N 2 2 280.372 0.454 20 0 CCADLP COCCN1CCC[N@@H+](CCCn2cc[nH+]c2)CC1=O ZINC000190787278 351734529 /nfs/dbraw/zinc/73/45/29/351734529.db2.gz PTCXKISVKCEMAK-UHFFFAOYSA-N 2 2 280.372 0.454 20 0 CCADLP C[C@H](C[NH2+][C@H]1CCOC[C@H]1C)C[NH+]1CCOCC1 ZINC000192592028 351791406 /nfs/dbraw/zinc/79/14/06/351791406.db2.gz UVFODIAFYUXQKF-MCIONIFRSA-N 2 2 256.390 0.969 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123815018 187110598 /nfs/dbraw/zinc/11/05/98/187110598.db2.gz VPEABZXBGYZLGG-OLZOCXBDSA-N 2 2 298.431 0.883 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123815018 187110599 /nfs/dbraw/zinc/11/05/99/187110599.db2.gz VPEABZXBGYZLGG-OLZOCXBDSA-N 2 2 298.431 0.883 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123815018 187110600 /nfs/dbraw/zinc/11/06/00/187110600.db2.gz VPEABZXBGYZLGG-OLZOCXBDSA-N 2 2 298.431 0.883 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123815018 187110601 /nfs/dbraw/zinc/11/06/01/187110601.db2.gz VPEABZXBGYZLGG-OLZOCXBDSA-N 2 2 298.431 0.883 20 0 CCADLP CS[C@H](CO)[C@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000228308691 352072506 /nfs/dbraw/zinc/07/25/06/352072506.db2.gz PTSOSLDAJBFYMT-GXSJLCMTSA-N 2 2 272.418 0.688 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1)C(=O)OC ZINC000227212709 352040931 /nfs/dbraw/zinc/04/09/31/352040931.db2.gz OUZKFWPVRVLHAG-SFTQSGBHSA-N 2 2 299.415 0.359 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1)C(=O)OC ZINC000227212709 352040933 /nfs/dbraw/zinc/04/09/33/352040933.db2.gz OUZKFWPVRVLHAG-SFTQSGBHSA-N 2 2 299.415 0.359 20 0 CCADLP Cc1ccc([C@@H]([NH3+])C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000230797774 352120066 /nfs/dbraw/zinc/12/00/66/352120066.db2.gz YMNXULRHNKHZNK-CQSZACIVSA-N 2 2 277.368 0.131 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCOCC[NH+](C)C)C[N@@H+]1C1CC1 ZINC000231675772 352131384 /nfs/dbraw/zinc/13/13/84/352131384.db2.gz GSSRGTHVANUDQD-OLZOCXBDSA-N 3 2 255.406 0.779 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCOCC[NH+](C)C)C[N@H+]1C1CC1 ZINC000231675772 352131388 /nfs/dbraw/zinc/13/13/88/352131388.db2.gz GSSRGTHVANUDQD-OLZOCXBDSA-N 3 2 255.406 0.779 20 0 CCADLP CNC(=O)c1ccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc1 ZINC000228726626 352082626 /nfs/dbraw/zinc/08/26/26/352082626.db2.gz JEFRRAYAXBJKQT-HNNXBMFYSA-N 2 2 279.384 0.448 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000228722279 352082899 /nfs/dbraw/zinc/08/28/99/352082899.db2.gz ZBBQXHZNQOHJFI-HNNXBMFYSA-N 2 2 289.383 0.874 20 0 CCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cncn1C ZINC000237020939 352237213 /nfs/dbraw/zinc/23/72/13/352237213.db2.gz NYHGVXNGAJGXTQ-AWEZNQCLSA-N 2 2 293.415 0.452 20 0 CCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cncn1C ZINC000237020939 352237218 /nfs/dbraw/zinc/23/72/18/352237218.db2.gz NYHGVXNGAJGXTQ-AWEZNQCLSA-N 2 2 293.415 0.452 20 0 CCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000237024825 352237455 /nfs/dbraw/zinc/23/74/55/352237455.db2.gz SHGYNQKTFZOPJC-UHFFFAOYSA-N 2 2 298.431 0.126 20 0 CCADLP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000237024825 352237458 /nfs/dbraw/zinc/23/74/58/352237458.db2.gz SHGYNQKTFZOPJC-UHFFFAOYSA-N 2 2 298.431 0.126 20 0 CCADLP CCCC[C@@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000236763326 352210850 /nfs/dbraw/zinc/21/08/50/352210850.db2.gz RWDTYPDIIWHUCK-NWDGAFQWSA-N 2 2 257.378 0.341 20 0 CCADLP CCN(CC)c1ccc(CNC(=O)C[NH2+]C)c[nH+]1 ZINC000236906336 352227156 /nfs/dbraw/zinc/22/71/56/352227156.db2.gz KIEDIMIUFRDSLP-UHFFFAOYSA-N 2 2 250.346 0.763 20 0 CCADLP CCCc1nc(C)c(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)o1 ZINC000603431808 363131394 /nfs/dbraw/zinc/13/13/94/363131394.db2.gz ZCGSXKZXJKVMJB-VXGBXAGGSA-N 2 2 292.383 0.679 20 0 CCADLP C[C@H](CNC(=O)[C@@]1(C)CCCC[NH2+]1)[NH+]1CCOCC1 ZINC000237452413 352266021 /nfs/dbraw/zinc/26/60/21/352266021.db2.gz MNZADBOKULLXRU-TZMCWYRMSA-N 2 2 269.389 0.356 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H]([NH3+])CC(C)C)CC1 ZINC000237096881 352242967 /nfs/dbraw/zinc/24/29/67/352242967.db2.gz LJLAUVIOORIBHP-LBPRGKRZSA-N 2 2 257.378 0.150 20 0 CCADLP O=C(C1CC[NH2+]CC1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000238103527 352298454 /nfs/dbraw/zinc/29/84/54/352298454.db2.gz PXIXPUHFJNDNQU-HNNXBMFYSA-N 2 2 295.427 0.699 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000245530654 352327846 /nfs/dbraw/zinc/32/78/46/352327846.db2.gz GMDXBPDYEBMJRL-GJZGRUSLSA-N 3 2 296.459 0.423 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000245530654 352327852 /nfs/dbraw/zinc/32/78/52/352327852.db2.gz GMDXBPDYEBMJRL-GJZGRUSLSA-N 3 2 296.459 0.423 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000245530654 352327855 /nfs/dbraw/zinc/32/78/55/352327855.db2.gz GMDXBPDYEBMJRL-GJZGRUSLSA-N 3 2 296.459 0.423 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000245530654 352327858 /nfs/dbraw/zinc/32/78/58/352327858.db2.gz GMDXBPDYEBMJRL-GJZGRUSLSA-N 3 2 296.459 0.423 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000246136092 352349910 /nfs/dbraw/zinc/34/99/10/352349910.db2.gz JFZYMQDNWKZYBI-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000246136092 352349914 /nfs/dbraw/zinc/34/99/14/352349914.db2.gz JFZYMQDNWKZYBI-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP CC[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000246136092 352349917 /nfs/dbraw/zinc/34/99/17/352349917.db2.gz JFZYMQDNWKZYBI-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP CC(C)[C@](C)(C[NH3+])NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655417317 412564825 /nfs/dbraw/zinc/56/48/25/412564825.db2.gz HPAWUVIPWXFBTI-FZMZJTMJSA-N 2 2 264.373 0.935 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000248185195 352433746 /nfs/dbraw/zinc/43/37/46/352433746.db2.gz XFDOIOXTCPBCQH-KFWWJZLASA-N 3 2 268.449 0.695 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000248185195 352433760 /nfs/dbraw/zinc/43/37/60/352433760.db2.gz XFDOIOXTCPBCQH-KFWWJZLASA-N 3 2 268.449 0.695 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000271551472 191207623 /nfs/dbraw/zinc/20/76/23/191207623.db2.gz LPTGLJZWNCDDMB-LLVKDONJSA-N 2 2 268.386 0.484 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CCSC[C@@H]1C(N)=O ZINC000271551472 191207625 /nfs/dbraw/zinc/20/76/25/191207625.db2.gz LPTGLJZWNCDDMB-LLVKDONJSA-N 2 2 268.386 0.484 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000247169526 352402845 /nfs/dbraw/zinc/40/28/45/352402845.db2.gz QZTDXMSBHDKQKB-OCCSQVGLSA-N 2 2 295.383 0.719 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000247169526 352402849 /nfs/dbraw/zinc/40/28/49/352402849.db2.gz QZTDXMSBHDKQKB-OCCSQVGLSA-N 2 2 295.383 0.719 20 0 CCADLP C[C@H](O)C[C@H]1COCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000248601022 352448218 /nfs/dbraw/zinc/44/82/18/352448218.db2.gz AFGORBNASHWBSO-MJBXVCDLSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@H](O)C[C@H]1COCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000248601022 352448222 /nfs/dbraw/zinc/44/82/22/352448222.db2.gz AFGORBNASHWBSO-MJBXVCDLSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@H](O)C[C@H]1COCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000248601022 352448225 /nfs/dbraw/zinc/44/82/25/352448225.db2.gz AFGORBNASHWBSO-MJBXVCDLSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@H](O)C[C@H]1COCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000248601022 352448229 /nfs/dbraw/zinc/44/82/29/352448229.db2.gz AFGORBNASHWBSO-MJBXVCDLSA-N 2 2 256.390 0.942 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250814557 352508086 /nfs/dbraw/zinc/50/80/86/352508086.db2.gz DYQLKISUACKJJB-HUUCEWRRSA-N 2 2 267.417 0.925 20 0 CCADLP C[NH+]1CCC([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000252559762 352520335 /nfs/dbraw/zinc/52/03/35/352520335.db2.gz VHSCJCDUMUFCFH-KBPBESRZSA-N 3 2 253.390 0.533 20 0 CCADLP C[NH+]1CCC([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000252559762 352520338 /nfs/dbraw/zinc/52/03/38/352520338.db2.gz VHSCJCDUMUFCFH-KBPBESRZSA-N 3 2 253.390 0.533 20 0 CCADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)N1CC[NH+](C)CC1 ZINC000264979669 352611923 /nfs/dbraw/zinc/61/19/23/352611923.db2.gz ZZXQMFVSLXEPPS-CYBMUJFWSA-N 2 2 279.388 0.025 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000261956644 352567430 /nfs/dbraw/zinc/56/74/30/352567430.db2.gz QWEMOBIRLVSQRT-ZIAGYGMSSA-N 2 2 294.443 0.128 20 0 CCADLP Cc1nc(C)n(C[C@@H]2C[N@H+](C[C@@]3(C)CC[NH2+]C3)CCO2)n1 ZINC000262067332 352574590 /nfs/dbraw/zinc/57/45/90/352574590.db2.gz RSARCUJSSGDDTG-GJZGRUSLSA-N 2 2 293.415 0.595 20 0 CCADLP Cc1nc(C)n(C[C@@H]2C[N@@H+](C[C@@]3(C)CC[NH2+]C3)CCO2)n1 ZINC000262067332 352574593 /nfs/dbraw/zinc/57/45/93/352574593.db2.gz RSARCUJSSGDDTG-GJZGRUSLSA-N 2 2 293.415 0.595 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000262131953 352580898 /nfs/dbraw/zinc/58/08/98/352580898.db2.gz KNLCNRJZCCBQNZ-LBPRGKRZSA-N 2 2 262.357 0.906 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000262290181 352585461 /nfs/dbraw/zinc/58/54/61/352585461.db2.gz NLTWNVKSCPBUSP-HZSPNIEDSA-N 2 2 282.432 0.256 20 0 CCADLP Cc1cc(N(C)CC[NH+]2CCOCC2)nc(C)[nH+]1 ZINC000265567717 352646990 /nfs/dbraw/zinc/64/69/90/352646990.db2.gz KYMPKUPSCXYWSX-UHFFFAOYSA-N 2 2 250.346 0.862 20 0 CCADLP Cn1ccc(C[NH+]2CCC([N@H+](C)CCCO)CC2)cc1=O ZINC000604388946 363193311 /nfs/dbraw/zinc/19/33/11/363193311.db2.gz DDAOXZAEYDUGLS-UHFFFAOYSA-N 2 2 293.411 0.664 20 0 CCADLP Cn1ccc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)cc1=O ZINC000604388946 363193315 /nfs/dbraw/zinc/19/33/15/363193315.db2.gz DDAOXZAEYDUGLS-UHFFFAOYSA-N 2 2 293.411 0.664 20 0 CCADLP C[C@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)n1cccn1 ZINC000267277768 352755956 /nfs/dbraw/zinc/75/59/56/352755956.db2.gz RHPMWCXPLFKYHZ-CYBMUJFWSA-N 2 2 293.415 0.586 20 0 CCADLP C[NH+](C)C1CCN(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC000267270426 352756005 /nfs/dbraw/zinc/75/60/05/352756005.db2.gz PUPNOZVBWGLDMZ-UHFFFAOYSA-N 2 2 293.415 0.415 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC000267270426 352756009 /nfs/dbraw/zinc/75/60/09/352756009.db2.gz PUPNOZVBWGLDMZ-UHFFFAOYSA-N 3 2 293.415 0.415 20 0 CCADLP Cc1ccc(NC(=O)C(=O)NCC[N@@H+](C)C2CC2)c(C)[nH+]1 ZINC000268019709 352804023 /nfs/dbraw/zinc/80/40/23/352804023.db2.gz BHGJQHXZSTXHHI-UHFFFAOYSA-N 2 2 290.367 0.847 20 0 CCADLP Cc1ccc(NC(=O)C(=O)NCC[N@H+](C)C2CC2)c(C)[nH+]1 ZINC000268019709 352804025 /nfs/dbraw/zinc/80/40/25/352804025.db2.gz BHGJQHXZSTXHHI-UHFFFAOYSA-N 2 2 290.367 0.847 20 0 CCADLP C[C@H](CNC(=O)[C@H]([NH3+])c1cscn1)C[NH+]1CCOCC1 ZINC000573918099 334976927 /nfs/dbraw/zinc/97/69/27/334976927.db2.gz NGZVIHQFTJXATD-ZYHUDNBSSA-N 2 2 298.412 0.227 20 0 CCADLP CC[C@@H](C(=O)NCCNc1cccc[nH+]1)[NH+](C)C ZINC000269916294 352885455 /nfs/dbraw/zinc/88/54/55/352885455.db2.gz HLYJCDBJHIVORG-NSHDSACASA-N 2 2 250.346 0.950 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(c2cc[nH+]c(C)n2)[C@@H](C)C1 ZINC000271631779 353034723 /nfs/dbraw/zinc/03/47/23/353034723.db2.gz GTMGIOJZFLJQSQ-NSHDSACASA-N 2 2 278.356 0.859 20 0 CCADLP COC(=O)CC[N@H+]1CCN(c2cc[nH+]c(C)n2)[C@@H](C)C1 ZINC000271631779 353034725 /nfs/dbraw/zinc/03/47/25/353034725.db2.gz GTMGIOJZFLJQSQ-NSHDSACASA-N 2 2 278.356 0.859 20 0 CCADLP COC(=O)[C@@]1(F)CC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000270904564 353002106 /nfs/dbraw/zinc/00/21/06/353002106.db2.gz RUFMUFVIKGQIRR-GFCCVEGCSA-N 2 2 255.293 0.779 20 0 CCADLP COC(=O)[C@@]1(F)CC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000270904564 353002108 /nfs/dbraw/zinc/00/21/08/353002108.db2.gz RUFMUFVIKGQIRR-GFCCVEGCSA-N 2 2 255.293 0.779 20 0 CCADLP C[C@@H](CC(N)=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000272211841 353043536 /nfs/dbraw/zinc/04/35/36/353043536.db2.gz KSOAGAOWZVKHDV-AAEUAGOBSA-N 2 2 291.399 0.898 20 0 CCADLP CCC[C@H]([NH3+])C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000272290014 353050170 /nfs/dbraw/zinc/05/01/70/353050170.db2.gz CYNGEHVWTKMHQS-ZDUSSCGKSA-N 2 2 295.387 0.281 20 0 CCADLP C[C@@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)[NH+](C)C ZINC000272296400 353050999 /nfs/dbraw/zinc/05/09/99/353050999.db2.gz PYWKMOBEDOVVRB-NSHDSACASA-N 2 2 273.340 0.947 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CCO1 ZINC000655446361 412572568 /nfs/dbraw/zinc/57/25/68/412572568.db2.gz PQFNIWSYKGJBNZ-XJKSGUPXSA-N 2 2 295.427 0.603 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CCO1 ZINC000655446361 412572573 /nfs/dbraw/zinc/57/25/73/412572573.db2.gz PQFNIWSYKGJBNZ-XJKSGUPXSA-N 2 2 295.427 0.603 20 0 CCADLP CCN(CCO)CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000274650506 353149978 /nfs/dbraw/zinc/14/99/78/353149978.db2.gz LJHBJVQDYAGBPH-UHFFFAOYSA-N 2 2 292.427 0.954 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000275114557 353186266 /nfs/dbraw/zinc/18/62/66/353186266.db2.gz SKEOBEOFGFASOQ-QWHCGFSZSA-N 2 2 279.388 0.865 20 0 CCADLP C[N@H+](CCNc1cc(N2CCOCC2)[nH+]cn1)C1CC1 ZINC000277613877 353253792 /nfs/dbraw/zinc/25/37/92/353253792.db2.gz VZERVGAIPANUAQ-UHFFFAOYSA-N 2 2 277.372 0.819 20 0 CCADLP C[N@@H+](CCNc1cc(N2CCOCC2)[nH+]cn1)C1CC1 ZINC000277613877 353253795 /nfs/dbraw/zinc/25/37/95/353253795.db2.gz VZERVGAIPANUAQ-UHFFFAOYSA-N 2 2 277.372 0.819 20 0 CCADLP COc1cc[nH+]c(CN2C[C@H](C)[N@H+](CCO)C[C@H]2C)c1 ZINC000419328315 234369210 /nfs/dbraw/zinc/36/92/10/234369210.db2.gz OLZWGHSEVXZUSY-QWHCGFSZSA-N 2 2 279.384 0.977 20 0 CCADLP COc1cc[nH+]c(CN2C[C@H](C)[N@@H+](CCO)C[C@H]2C)c1 ZINC000419328315 234369214 /nfs/dbraw/zinc/36/92/14/234369214.db2.gz OLZWGHSEVXZUSY-QWHCGFSZSA-N 2 2 279.384 0.977 20 0 CCADLP C[C@H](C(N)=O)[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000279774306 353315192 /nfs/dbraw/zinc/31/51/92/353315192.db2.gz SXMJITMOUONHRH-WOPDTQHZSA-N 2 2 297.378 0.138 20 0 CCADLP C[C@H](C(N)=O)[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000279774306 353315194 /nfs/dbraw/zinc/31/51/94/353315194.db2.gz SXMJITMOUONHRH-WOPDTQHZSA-N 2 2 297.378 0.138 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000280748851 353380430 /nfs/dbraw/zinc/38/04/30/353380430.db2.gz KTHLKWANIDEBSW-UHFFFAOYSA-N 2 2 280.372 0.488 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](C[C@@](C)(O)C(F)(F)F)CC1 ZINC000282144754 353397309 /nfs/dbraw/zinc/39/73/09/353397309.db2.gz ZUEIBMAKFSEJCD-LLVKDONJSA-N 2 2 292.305 0.855 20 0 CCADLP C[NH+](C)C1CN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000158479673 188378370 /nfs/dbraw/zinc/37/83/70/188378370.db2.gz IEAIXEQAJBLLKF-UHFFFAOYSA-N 2 2 271.324 0.653 20 0 CCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000282798663 353452397 /nfs/dbraw/zinc/45/23/97/353452397.db2.gz OJJACFWIYXLXTN-SNAWJCMRSA-N 2 2 292.383 0.992 20 0 CCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000282798663 353452398 /nfs/dbraw/zinc/45/23/98/353452398.db2.gz OJJACFWIYXLXTN-SNAWJCMRSA-N 2 2 292.383 0.992 20 0 CCADLP COC[C@]1(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCC[NH2+]1 ZINC000655461575 412582102 /nfs/dbraw/zinc/58/21/02/412582102.db2.gz UWQHKDISYMUINL-IUODEOHRSA-N 2 2 292.383 0.330 20 0 CCADLP CCC[C@@]1(C)C(=O)NCC[N@H+]1CCc1c[nH+]cn1C ZINC000290135753 353710532 /nfs/dbraw/zinc/71/05/32/353710532.db2.gz VJBMHUJMECIORM-AWEZNQCLSA-N 2 2 264.373 0.953 20 0 CCADLP CCC[C@@]1(C)C(=O)NCC[N@@H+]1CCc1c[nH+]cn1C ZINC000290135753 353710536 /nfs/dbraw/zinc/71/05/36/353710536.db2.gz VJBMHUJMECIORM-AWEZNQCLSA-N 2 2 264.373 0.953 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000290139101 353710603 /nfs/dbraw/zinc/71/06/03/353710603.db2.gz VOWQKEGPCYOIDZ-OLZOCXBDSA-N 2 2 262.357 0.706 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000290139101 353710608 /nfs/dbraw/zinc/71/06/08/353710608.db2.gz VOWQKEGPCYOIDZ-OLZOCXBDSA-N 2 2 262.357 0.706 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000290139100 353710748 /nfs/dbraw/zinc/71/07/48/353710748.db2.gz VOWQKEGPCYOIDZ-CHWSQXEVSA-N 2 2 262.357 0.706 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000290139100 353710752 /nfs/dbraw/zinc/71/07/52/353710752.db2.gz VOWQKEGPCYOIDZ-CHWSQXEVSA-N 2 2 262.357 0.706 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000290503238 353730406 /nfs/dbraw/zinc/73/04/06/353730406.db2.gz KUFCZMGHUFGVLT-MRVPVSSYSA-N 2 2 272.316 0.643 20 0 CCADLP C[C@@H](CNC(=O)N1CCn2c[nH+]cc2C1)[N@H+](C)C1CC1 ZINC000290981807 353761403 /nfs/dbraw/zinc/76/14/03/353761403.db2.gz JYSBBFSMYSVVOS-NSHDSACASA-N 2 2 277.372 0.891 20 0 CCADLP C[C@@H](CNC(=O)N1CCn2c[nH+]cc2C1)[N@@H+](C)C1CC1 ZINC000290981807 353761407 /nfs/dbraw/zinc/76/14/07/353761407.db2.gz JYSBBFSMYSVVOS-NSHDSACASA-N 2 2 277.372 0.891 20 0 CCADLP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655465483 412583415 /nfs/dbraw/zinc/58/34/15/412583415.db2.gz MPDWFFMWQRDNKA-QWRGUYRKSA-N 2 2 262.357 0.702 20 0 CCADLP CC1(C)[NH2+]CC[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655465484 412583992 /nfs/dbraw/zinc/58/39/92/412583992.db2.gz MPDWFFMWQRDNKA-WDEREUQCSA-N 2 2 262.357 0.702 20 0 CCADLP CC[N@H+](CC[NH3+])CCN1C(=O)c2ccccc2C1=O ZINC000306374541 354174117 /nfs/dbraw/zinc/17/41/17/354174117.db2.gz VHYRMFYTPJKRHW-UHFFFAOYSA-N 2 2 261.325 0.563 20 0 CCADLP CC[N@@H+](CC[NH3+])CCN1C(=O)c2ccccc2C1=O ZINC000306374541 354174120 /nfs/dbraw/zinc/17/41/20/354174120.db2.gz VHYRMFYTPJKRHW-UHFFFAOYSA-N 2 2 261.325 0.563 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNc1cc[nH+]c(N(C)C)n1 ZINC000607144924 363339340 /nfs/dbraw/zinc/33/93/40/363339340.db2.gz IHKRAQFPZRRTEW-LLVKDONJSA-N 2 2 265.361 0.097 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNc1cc[nH+]c(N(C)C)n1 ZINC000607144924 363339347 /nfs/dbraw/zinc/33/93/47/363339347.db2.gz IHKRAQFPZRRTEW-LLVKDONJSA-N 2 2 265.361 0.097 20 0 CCADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000305743230 354157876 /nfs/dbraw/zinc/15/78/76/354157876.db2.gz TVAUBEXALIOTDP-ZDUSSCGKSA-N 2 2 294.399 0.497 20 0 CCADLP CCOC(=O)[C@@H](CC)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000311793971 354203703 /nfs/dbraw/zinc/20/37/03/354203703.db2.gz MNHKALOEHLCBBF-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@H]1C ZINC000312070937 354205910 /nfs/dbraw/zinc/20/59/10/354205910.db2.gz NNXIHGBNAIKJJP-RAIGVLPGSA-N 2 2 270.373 0.182 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@H]1C ZINC000312070937 354205912 /nfs/dbraw/zinc/20/59/12/354205912.db2.gz NNXIHGBNAIKJJP-RAIGVLPGSA-N 2 2 270.373 0.182 20 0 CCADLP COC(=O)[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)C[C@H]1C ZINC000312070937 354205916 /nfs/dbraw/zinc/20/59/16/354205916.db2.gz NNXIHGBNAIKJJP-RAIGVLPGSA-N 2 2 270.373 0.182 20 0 CCADLP COC(=O)[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C[C@H]1C ZINC000312070937 354205920 /nfs/dbraw/zinc/20/59/20/354205920.db2.gz NNXIHGBNAIKJJP-RAIGVLPGSA-N 2 2 270.373 0.182 20 0 CCADLP C[C@@H]1[C@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)CCS1(=O)=O ZINC000312105581 354206825 /nfs/dbraw/zinc/20/68/25/354206825.db2.gz WQBBQNRTLGZXGP-MWLCHTKSSA-N 2 2 286.401 0.151 20 0 CCADLP C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313339224 354213225 /nfs/dbraw/zinc/21/32/25/354213225.db2.gz BWBBNOVQEJRDCY-JSGCOSHPSA-N 2 2 283.416 0.873 20 0 CCADLP C[C@@H](C(=O)NC1CCCCC1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313339224 354213229 /nfs/dbraw/zinc/21/32/29/354213229.db2.gz BWBBNOVQEJRDCY-JSGCOSHPSA-N 2 2 283.416 0.873 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@@H+]2CCCO[C@@H](C[NH3+])C2)C1 ZINC000313343774 354213239 /nfs/dbraw/zinc/21/32/39/354213239.db2.gz PIWVJPMIJNECAX-OLZOCXBDSA-N 2 2 269.389 0.295 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@H+]2CCCO[C@@H](C[NH3+])C2)C1 ZINC000313343774 354213244 /nfs/dbraw/zinc/21/32/44/354213244.db2.gz PIWVJPMIJNECAX-OLZOCXBDSA-N 2 2 269.389 0.295 20 0 CCADLP C[C@@H](CCc1ccco1)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000557137340 291023508 /nfs/dbraw/zinc/02/35/08/291023508.db2.gz JMCOGEXKPLNVTI-QWHCGFSZSA-N 2 2 294.399 0.885 20 0 CCADLP C[C@@H](CCc1ccco1)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000557137340 291023510 /nfs/dbraw/zinc/02/35/10/291023510.db2.gz JMCOGEXKPLNVTI-QWHCGFSZSA-N 2 2 294.399 0.885 20 0 CCADLP O=C(NCCC1CC[NH2+]CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655486129 412588541 /nfs/dbraw/zinc/58/85/41/412588541.db2.gz OADFMFLDTMYTBA-CYBMUJFWSA-N 2 2 276.384 0.951 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CSC[NH2+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488103 412591722 /nfs/dbraw/zinc/59/17/22/412591722.db2.gz UEPWRMGUNNHRQK-WISYIIOYSA-N 2 2 287.429 0.263 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CSC[NH2+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488103 412591726 /nfs/dbraw/zinc/59/17/26/412591726.db2.gz UEPWRMGUNNHRQK-WISYIIOYSA-N 2 2 287.429 0.263 20 0 CCADLP C[C@@H](CNC(=O)[C@]1(C)CCC[NH2+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488403 412591440 /nfs/dbraw/zinc/59/14/40/412591440.db2.gz YQUFYUKDZDSKFS-XPCVCDNBSA-N 2 2 283.416 0.742 20 0 CCADLP C[C@@H](CNC(=O)[C@]1(C)CCC[NH2+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488403 412591443 /nfs/dbraw/zinc/59/14/43/412591443.db2.gz YQUFYUKDZDSKFS-XPCVCDNBSA-N 2 2 283.416 0.742 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCCC[NH2+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488660 412592726 /nfs/dbraw/zinc/59/27/26/412592726.db2.gz DSVZWEZQVYUIOT-FQUUOJAGSA-N 2 2 283.416 0.742 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCCC[NH2+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488660 412592731 /nfs/dbraw/zinc/59/27/31/412592731.db2.gz DSVZWEZQVYUIOT-FQUUOJAGSA-N 2 2 283.416 0.742 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000333703158 354779186 /nfs/dbraw/zinc/77/91/86/354779186.db2.gz DQFRMPYMEUZXJS-HIFRSBDPSA-N 2 2 298.431 0.396 20 0 CCADLP [NH3+]C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C1CC1 ZINC000333702908 354779586 /nfs/dbraw/zinc/77/95/86/354779586.db2.gz RBZUDHULAHMFRO-UONOGXRCSA-N 2 2 296.415 0.230 20 0 CCADLP C[C@H]1C[C@@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC000377925891 291040463 /nfs/dbraw/zinc/04/04/63/291040463.db2.gz MCNYUMBGIMUSIE-KKUMJFAQSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@H]1C[C@@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC[N@H+]1C ZINC000377925891 291040466 /nfs/dbraw/zinc/04/04/66/291040466.db2.gz MCNYUMBGIMUSIE-KKUMJFAQSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)[C@@H]1CCCC[NH2+]1 ZINC000333758452 354788844 /nfs/dbraw/zinc/78/88/44/354788844.db2.gz AENOVBMZJNCDGC-UPJWGTAASA-N 2 2 289.445 0.531 20 0 CCADLP Nc1[nH+]cnc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1Cl ZINC000333922708 354816238 /nfs/dbraw/zinc/81/62/38/354816238.db2.gz RQZNUPJUGOTXAN-HTQZYQBOSA-N 2 2 253.737 0.758 20 0 CCADLP Nc1nc[nH+]c(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1Cl ZINC000333922708 354816242 /nfs/dbraw/zinc/81/62/42/354816242.db2.gz RQZNUPJUGOTXAN-HTQZYQBOSA-N 2 2 253.737 0.758 20 0 CCADLP C[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)[C@H]1CCC[NH2+]1 ZINC000333799192 354796723 /nfs/dbraw/zinc/79/67/23/354796723.db2.gz HLFLQORFKQEICS-IJLUTSLNSA-N 2 2 275.418 0.141 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000334711718 354928948 /nfs/dbraw/zinc/92/89/48/354928948.db2.gz DLIULNHLCIRABE-MNOVXSKESA-N 2 2 250.346 0.743 20 0 CCADLP O=C(NC[C@H]1CC[NH2+]C1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000423575435 235009716 /nfs/dbraw/zinc/00/97/16/235009716.db2.gz QDIIPGVHYWQCIU-JSGCOSHPSA-N 2 2 281.400 0.356 20 0 CCADLP O=C(NC[C@H]1CC[NH2+]C1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000423575435 235009720 /nfs/dbraw/zinc/00/97/20/235009720.db2.gz QDIIPGVHYWQCIU-JSGCOSHPSA-N 2 2 281.400 0.356 20 0 CCADLP [NH3+]C1(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CCCC1 ZINC000423754323 235058307 /nfs/dbraw/zinc/05/83/07/235058307.db2.gz HVVKBLFKELTXJP-GFCCVEGCSA-N 2 2 267.373 0.237 20 0 CCADLP [NH3+]C1(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CCCC1 ZINC000423754323 235058310 /nfs/dbraw/zinc/05/83/10/235058310.db2.gz HVVKBLFKELTXJP-GFCCVEGCSA-N 2 2 267.373 0.237 20 0 CCADLP CC[NH+]1CCC([N@H+](C)CCS(=O)(=O)N(C)C)CC1 ZINC000336787911 355160341 /nfs/dbraw/zinc/16/03/41/355160341.db2.gz NEILOMVZJSYIBI-UHFFFAOYSA-N 2 2 277.434 0.294 20 0 CCADLP CC[NH+]1CCC([N@@H+](C)CCS(=O)(=O)N(C)C)CC1 ZINC000336787911 355160343 /nfs/dbraw/zinc/16/03/43/355160343.db2.gz NEILOMVZJSYIBI-UHFFFAOYSA-N 2 2 277.434 0.294 20 0 CCADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc[nH]n1 ZINC000336698633 355139568 /nfs/dbraw/zinc/13/95/68/355139568.db2.gz GDDFPYXSVRDXCG-UHFFFAOYSA-N 2 2 251.378 0.479 20 0 CCADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc[nH]n1 ZINC000336698633 355139569 /nfs/dbraw/zinc/13/95/69/355139569.db2.gz GDDFPYXSVRDXCG-UHFFFAOYSA-N 2 2 251.378 0.479 20 0 CCADLP O=C(COC1CC[NH2+]CC1)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424172710 235168477 /nfs/dbraw/zinc/16/84/77/235168477.db2.gz DFUPWKDAOAEVRS-SNVBAGLBSA-N 2 2 291.342 0.116 20 0 CCADLP Cn1cc[nH+]c1CC1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000424180093 235170664 /nfs/dbraw/zinc/17/06/64/235170664.db2.gz NFGVTVRYWKTLFX-CYBMUJFWSA-N 2 2 292.383 0.190 20 0 CCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000424179992 235171727 /nfs/dbraw/zinc/17/17/27/235171727.db2.gz MTRGBVHCCGDNJO-CHWSQXEVSA-N 2 2 292.383 0.190 20 0 CCADLP OC1(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)CCC1 ZINC000336805230 355181826 /nfs/dbraw/zinc/18/18/26/355181826.db2.gz VUXVIQRQMYNNQW-AWEZNQCLSA-N 2 2 268.401 0.946 20 0 CCADLP OC1(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)CCC1 ZINC000336805230 355181828 /nfs/dbraw/zinc/18/18/28/355181828.db2.gz VUXVIQRQMYNNQW-AWEZNQCLSA-N 2 2 268.401 0.946 20 0 CCADLP Cc1[nH+]ccn1CC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000336814966 355189387 /nfs/dbraw/zinc/18/93/87/355189387.db2.gz YJSACVNTHIEXQN-UHFFFAOYSA-N 3 2 262.361 0.781 20 0 CCADLP O=C1CNC(=O)N1CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000336825805 355200374 /nfs/dbraw/zinc/20/03/74/355200374.db2.gz ZSPMZRGZALHHSJ-UHFFFAOYSA-N 2 2 277.328 0.141 20 0 CCADLP C[C@@H](O)CC[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000336826596 355201361 /nfs/dbraw/zinc/20/13/61/355201361.db2.gz RPVXAYDRNCENDP-GFCCVEGCSA-N 2 2 279.388 0.436 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424154215 235163457 /nfs/dbraw/zinc/16/34/57/235163457.db2.gz LGPOEJDRSIZTAY-LLVKDONJSA-N 2 2 286.339 0.580 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337268717 355293711 /nfs/dbraw/zinc/29/37/11/355293711.db2.gz KWCVSEBVIJMSKQ-LBPRGKRZSA-N 2 2 284.404 0.638 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337268717 355293714 /nfs/dbraw/zinc/29/37/14/355293714.db2.gz KWCVSEBVIJMSKQ-LBPRGKRZSA-N 2 2 284.404 0.638 20 0 CCADLP CCC[NH+]1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000337910776 355308400 /nfs/dbraw/zinc/30/84/00/355308400.db2.gz IKRGWQCMOTWNEV-UHFFFAOYSA-N 2 2 291.399 0.845 20 0 CCADLP C[NH+]1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000338499937 355360191 /nfs/dbraw/zinc/36/01/91/355360191.db2.gz BDSFQBQSHFUBOB-UHFFFAOYSA-N 2 2 284.404 0.054 20 0 CCADLP C[NH+]1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000338499937 355360194 /nfs/dbraw/zinc/36/01/94/355360194.db2.gz BDSFQBQSHFUBOB-UHFFFAOYSA-N 2 2 284.404 0.054 20 0 CCADLP COC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000338783849 355418989 /nfs/dbraw/zinc/41/89/89/355418989.db2.gz XFNIRLLAENLRTB-OAHLLOKOSA-N 2 2 279.384 0.643 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000338796951 355421500 /nfs/dbraw/zinc/42/15/00/355421500.db2.gz WJKZWGNCYJZWKV-UTUOFQBUSA-N 2 2 251.374 0.727 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000338796951 355421503 /nfs/dbraw/zinc/42/15/03/355421503.db2.gz WJKZWGNCYJZWKV-UTUOFQBUSA-N 2 2 251.374 0.727 20 0 CCADLP COCCC[N@H+](C)CC[NH2+][C@H](C)C(C)(C)n1cncn1 ZINC000340489174 355562173 /nfs/dbraw/zinc/56/21/73/355562173.db2.gz QZGFBVXUWLRDQC-CYBMUJFWSA-N 2 2 283.420 0.960 20 0 CCADLP COCCC[N@@H+](C)CC[NH2+][C@H](C)C(C)(C)n1cncn1 ZINC000340489174 355562175 /nfs/dbraw/zinc/56/21/75/355562175.db2.gz QZGFBVXUWLRDQC-CYBMUJFWSA-N 2 2 283.420 0.960 20 0 CCADLP COC[C@](C)(O)CC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425370986 235290748 /nfs/dbraw/zinc/29/07/48/235290748.db2.gz PFCZBJKHRVXYSA-CYBMUJFWSA-N 2 2 270.377 0.363 20 0 CCADLP C[C@H](CC(=O)N[C@H](C[NH3+])C(F)(F)F)n1cc[nH+]c1 ZINC000655519794 412611091 /nfs/dbraw/zinc/61/10/91/412611091.db2.gz XRFKAZJOTQJMCQ-HTQZYQBOSA-N 2 2 264.251 0.840 20 0 CCADLP Cc1ccc2nc(C[NH2+]C[C@@]3(O)CC[N@@H+](C)C3)cn2c1 ZINC000341295384 355646927 /nfs/dbraw/zinc/64/69/27/355646927.db2.gz XGSXQCMLUKUPTQ-HNNXBMFYSA-N 2 2 274.368 0.799 20 0 CCADLP Cc1ccc2nc(C[NH2+]C[C@@]3(O)CC[N@H+](C)C3)cn2c1 ZINC000341295384 355646932 /nfs/dbraw/zinc/64/69/32/355646932.db2.gz XGSXQCMLUKUPTQ-HNNXBMFYSA-N 2 2 274.368 0.799 20 0 CCADLP Cc1ccc2[nH+]c(CNC[C@@]3(O)CC[N@@H+](C)C3)cn2c1 ZINC000341295384 355646936 /nfs/dbraw/zinc/64/69/36/355646936.db2.gz XGSXQCMLUKUPTQ-HNNXBMFYSA-N 2 2 274.368 0.799 20 0 CCADLP Cc1ccc2[nH+]c(CNC[C@@]3(O)CC[N@H+](C)C3)cn2c1 ZINC000341295384 355646940 /nfs/dbraw/zinc/64/69/40/355646940.db2.gz XGSXQCMLUKUPTQ-HNNXBMFYSA-N 2 2 274.368 0.799 20 0 CCADLP CN1CC[C@H]([NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC000247565202 283117083 /nfs/dbraw/zinc/11/70/83/283117083.db2.gz VOJXSVUPJNMCMD-CABCVRRESA-N 2 2 294.443 0.319 20 0 CCADLP CN1CC[C@H]([NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C1=O ZINC000247565202 283117086 /nfs/dbraw/zinc/11/70/86/283117086.db2.gz VOJXSVUPJNMCMD-CABCVRRESA-N 2 2 294.443 0.319 20 0 CCADLP C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000346977519 355875443 /nfs/dbraw/zinc/87/54/43/355875443.db2.gz KXVMCUMLFSKVKT-GRYCIOLGSA-N 2 2 262.419 0.739 20 0 CCADLP C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000346977519 355875446 /nfs/dbraw/zinc/87/54/46/355875446.db2.gz KXVMCUMLFSKVKT-GRYCIOLGSA-N 2 2 262.419 0.739 20 0 CCADLP COCC[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000347336179 355879207 /nfs/dbraw/zinc/87/92/07/355879207.db2.gz ACYGHFXDJXSFBB-NEPJUHHUSA-N 2 2 257.378 0.341 20 0 CCADLP COCC[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000347336179 355879209 /nfs/dbraw/zinc/87/92/09/355879209.db2.gz ACYGHFXDJXSFBB-NEPJUHHUSA-N 2 2 257.378 0.341 20 0 CCADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000348262507 355898006 /nfs/dbraw/zinc/89/80/06/355898006.db2.gz OQLXODSCDSVJOS-HNNXBMFYSA-N 3 2 263.385 0.979 20 0 CCADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000348262507 355898009 /nfs/dbraw/zinc/89/80/09/355898009.db2.gz OQLXODSCDSVJOS-HNNXBMFYSA-N 3 2 263.385 0.979 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[C@H](F)C3)C2)CC1 ZINC000655552297 412618391 /nfs/dbraw/zinc/61/83/91/412618391.db2.gz STXHYXXULDHLSK-QWHCGFSZSA-N 2 2 298.406 0.908 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@H](F)C3)C2)CC1 ZINC000655552297 412618395 /nfs/dbraw/zinc/61/83/95/412618395.db2.gz STXHYXXULDHLSK-QWHCGFSZSA-N 2 2 298.406 0.908 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]C1(CO)Cc2ccccc2C1)C1CC1 ZINC000351517301 356002559 /nfs/dbraw/zinc/00/25/59/356002559.db2.gz JROHWOHLVKPCTO-MRXNPFEDSA-N 2 2 290.407 0.561 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]C1(CO)Cc2ccccc2C1)C1CC1 ZINC000351517301 356002564 /nfs/dbraw/zinc/00/25/64/356002564.db2.gz JROHWOHLVKPCTO-MRXNPFEDSA-N 2 2 290.407 0.561 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000352356172 356011425 /nfs/dbraw/zinc/01/14/25/356011425.db2.gz GSWKWVVZYALMKP-HIFRSBDPSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000352356172 356011428 /nfs/dbraw/zinc/01/14/28/356011428.db2.gz GSWKWVVZYALMKP-HIFRSBDPSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@H](CN1CCOCC1)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000352356172 356011431 /nfs/dbraw/zinc/01/14/31/356011431.db2.gz GSWKWVVZYALMKP-HIFRSBDPSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@H](CN1CCOCC1)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000352356172 356011432 /nfs/dbraw/zinc/01/14/32/356011432.db2.gz GSWKWVVZYALMKP-HIFRSBDPSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@H](CN1CCOCC1)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000352356172 356011435 /nfs/dbraw/zinc/01/14/35/356011435.db2.gz GSWKWVVZYALMKP-HIFRSBDPSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@H](CN1CCOCC1)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000352356172 356011436 /nfs/dbraw/zinc/01/14/36/356011436.db2.gz GSWKWVVZYALMKP-HIFRSBDPSA-N 2 2 285.432 0.094 20 0 CCADLP C[NH+](C)Cc1cnc(C[NH2+]CC(=O)N2CCOCC2)s1 ZINC000352744173 356069010 /nfs/dbraw/zinc/06/90/10/356069010.db2.gz YVGDFVAOJPVXEL-UHFFFAOYSA-N 2 2 298.412 0.153 20 0 CCADLP Cc1cn[nH]c1C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000352836387 356093415 /nfs/dbraw/zinc/09/34/15/356093415.db2.gz STYDDTPSALRMGS-GFCCVEGCSA-N 2 2 279.388 0.395 20 0 CCADLP Cc1cn[nH]c1C[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000352836387 356093417 /nfs/dbraw/zinc/09/34/17/356093417.db2.gz STYDDTPSALRMGS-GFCCVEGCSA-N 2 2 279.388 0.395 20 0 CCADLP Cc1c[nH]nc1C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000352836387 356093420 /nfs/dbraw/zinc/09/34/20/356093420.db2.gz STYDDTPSALRMGS-GFCCVEGCSA-N 2 2 279.388 0.395 20 0 CCADLP Cc1c[nH]nc1C[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000352836387 356093422 /nfs/dbraw/zinc/09/34/22/356093422.db2.gz STYDDTPSALRMGS-GFCCVEGCSA-N 2 2 279.388 0.395 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000353433375 356221141 /nfs/dbraw/zinc/22/11/41/356221141.db2.gz UDQMKNZNWXZCIO-XQQFMLRXSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@H](C[NH2+][C@H](C)C(C)(C)n1cncn1)C[NH+]1CCOCC1 ZINC000353255762 356189119 /nfs/dbraw/zinc/18/91/19/356189119.db2.gz ODCOBWBNEYTUDJ-ZIAGYGMSSA-N 2 2 295.431 0.960 20 0 CCADLP C[N@@H+]1CC[C@](O)(CNC(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000353348464 356207569 /nfs/dbraw/zinc/20/75/69/356207569.db2.gz JTUIHOWATAASFB-AWEZNQCLSA-N 2 2 289.339 0.522 20 0 CCADLP C[N@H+]1CC[C@](O)(CNC(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000353348464 356207572 /nfs/dbraw/zinc/20/75/72/356207572.db2.gz JTUIHOWATAASFB-AWEZNQCLSA-N 2 2 289.339 0.522 20 0 CCADLP Cc1ccc(C(C)(C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cn1 ZINC000353570960 356251346 /nfs/dbraw/zinc/25/13/46/356251346.db2.gz OIFMCFRIIPXTCO-UHFFFAOYSA-N 2 2 290.411 0.989 20 0 CCADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000360815423 138011725 /nfs/dbraw/zinc/01/17/25/138011725.db2.gz FUWQCRGUJOGAQS-WDEREUQCSA-N 2 2 293.358 0.457 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000353506813 356241630 /nfs/dbraw/zinc/24/16/30/356241630.db2.gz ZTVUACBTDNVGJM-VGWMRTNUSA-N 3 2 281.444 0.906 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000353506813 356241633 /nfs/dbraw/zinc/24/16/33/356241633.db2.gz ZTVUACBTDNVGJM-VGWMRTNUSA-N 3 2 281.444 0.906 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2CCCOCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000361309179 138028221 /nfs/dbraw/zinc/02/82/21/138028221.db2.gz NVERTMMTNWFCQK-CVEARBPZSA-N 2 2 297.443 0.361 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2CCCOCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000361309179 138028222 /nfs/dbraw/zinc/02/82/22/138028222.db2.gz NVERTMMTNWFCQK-CVEARBPZSA-N 2 2 297.443 0.361 20 0 CCADLP C[C@H](C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000361080268 138021255 /nfs/dbraw/zinc/02/12/55/138021255.db2.gz NHERYLNEYHFKSD-KWCYVHTRSA-N 2 2 281.400 0.211 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cnccn1 ZINC000361183386 138024456 /nfs/dbraw/zinc/02/44/56/138024456.db2.gz USGBDTXOUXJUAD-CHWSQXEVSA-N 2 2 291.399 0.715 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cnccn1 ZINC000361183386 138024457 /nfs/dbraw/zinc/02/44/57/138024457.db2.gz USGBDTXOUXJUAD-CHWSQXEVSA-N 2 2 291.399 0.715 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000273565409 192207248 /nfs/dbraw/zinc/20/72/48/192207248.db2.gz DYECTDSMNFLTAT-UHFFFAOYSA-N 2 2 292.383 0.552 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000362283186 138053390 /nfs/dbraw/zinc/05/33/90/138053390.db2.gz IVRKHPDYWYCCLU-CYBMUJFWSA-N 2 2 295.431 0.375 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+](C)C[C@@H]2CCOC2)n1C ZINC000362281509 138053707 /nfs/dbraw/zinc/05/37/07/138053707.db2.gz CDEHOSIMZDMEGB-NSHDSACASA-N 2 2 252.362 0.954 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+](C)C[C@@H]2CCOC2)n1C ZINC000362281509 138053708 /nfs/dbraw/zinc/05/37/08/138053708.db2.gz CDEHOSIMZDMEGB-NSHDSACASA-N 2 2 252.362 0.954 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000354293874 356383851 /nfs/dbraw/zinc/38/38/51/356383851.db2.gz BBEFKJNWZSLUAY-LXTVHRRPSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000354293874 356383854 /nfs/dbraw/zinc/38/38/54/356383854.db2.gz BBEFKJNWZSLUAY-LXTVHRRPSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000362453490 138060055 /nfs/dbraw/zinc/06/00/55/138060055.db2.gz YVLPBRINIOVPKR-QWRGUYRKSA-N 2 2 250.346 0.576 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000362453490 138060056 /nfs/dbraw/zinc/06/00/56/138060056.db2.gz YVLPBRINIOVPKR-QWRGUYRKSA-N 2 2 250.346 0.576 20 0 CCADLP Cc1n[nH]cc1C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362688497 138069802 /nfs/dbraw/zinc/06/98/02/138069802.db2.gz ZZQLMOLGGCNCIQ-ZDUSSCGKSA-N 2 2 277.372 0.114 20 0 CCADLP Cc1n[nH]cc1C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362688497 138069803 /nfs/dbraw/zinc/06/98/03/138069803.db2.gz ZZQLMOLGGCNCIQ-ZDUSSCGKSA-N 2 2 277.372 0.114 20 0 CCADLP CC(C)[C@H]1CN(C(=O)NCCn2cc[nH+]c2)CC[N@@H+]1C ZINC000362690875 138069861 /nfs/dbraw/zinc/06/98/61/138069861.db2.gz HBLSMIKNMOTBSE-CYBMUJFWSA-N 2 2 279.388 0.865 20 0 CCADLP CC(C)[C@H]1CN(C(=O)NCCn2cc[nH+]c2)CC[N@H+]1C ZINC000362690875 138069862 /nfs/dbraw/zinc/06/98/62/138069862.db2.gz HBLSMIKNMOTBSE-CYBMUJFWSA-N 2 2 279.388 0.865 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000363641532 138093015 /nfs/dbraw/zinc/09/30/15/138093015.db2.gz OYLLHXKQYHEIAV-KBPBESRZSA-N 2 2 292.383 0.331 20 0 CCADLP CC[NH+](CC)CC(=O)NC[C@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000354892120 356523152 /nfs/dbraw/zinc/52/31/52/356523152.db2.gz VMWRNVMDHWMPNW-CYBMUJFWSA-N 2 2 299.415 0.329 20 0 CCADLP CC[NH+](CC)CC(=O)NC[C@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000354892120 356523155 /nfs/dbraw/zinc/52/31/55/356523155.db2.gz VMWRNVMDHWMPNW-CYBMUJFWSA-N 2 2 299.415 0.329 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CCOC[C@H]1C ZINC000355070963 356566690 /nfs/dbraw/zinc/56/66/90/356566690.db2.gz NNVHXUHKVDCPLB-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CCOC[C@H]1C ZINC000355070963 356566695 /nfs/dbraw/zinc/56/66/95/356566695.db2.gz NNVHXUHKVDCPLB-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000355070963 356566698 /nfs/dbraw/zinc/56/66/98/356566698.db2.gz NNVHXUHKVDCPLB-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000355070963 356566703 /nfs/dbraw/zinc/56/67/03/356566703.db2.gz NNVHXUHKVDCPLB-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000355090903 356574176 /nfs/dbraw/zinc/57/41/76/356574176.db2.gz HIVVEEJTHKLHCW-WDEREUQCSA-N 2 2 265.361 0.447 20 0 CCADLP COC(=O)CN1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000355247657 356618347 /nfs/dbraw/zinc/61/83/47/356618347.db2.gz ZEOOOIZDHYYOCM-UHFFFAOYSA-N 2 2 266.345 0.064 20 0 CCADLP C[N@@H+]1CCN(C(=O)Nc2ccc(F)cn2)[C@@H](C[NH3+])C1 ZINC000561017733 291115270 /nfs/dbraw/zinc/11/52/70/291115270.db2.gz CHAOGYTWFJGVJT-JTQLQIEISA-N 2 2 267.308 0.327 20 0 CCADLP C[N@H+]1CCN(C(=O)Nc2ccc(F)cn2)[C@@H](C[NH3+])C1 ZINC000561017733 291115273 /nfs/dbraw/zinc/11/52/73/291115273.db2.gz CHAOGYTWFJGVJT-JTQLQIEISA-N 2 2 267.308 0.327 20 0 CCADLP CC(C)c1cc(NC[C@H]2C[N@H+](C)CCO2)nc(N(C)C)[nH+]1 ZINC000360988644 535339355 /nfs/dbraw/zinc/33/93/55/535339355.db2.gz ZYHVCMNICSQDIV-LBPRGKRZSA-N 2 2 293.415 0.830 20 0 CCADLP CC(C)c1cc(NC[C@H]2C[N@@H+](C)CCO2)nc(N(C)C)[nH+]1 ZINC000360988644 535339359 /nfs/dbraw/zinc/33/93/59/535339359.db2.gz ZYHVCMNICSQDIV-LBPRGKRZSA-N 2 2 293.415 0.830 20 0 CCADLP CC[C@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)c1[nH]cc[nH+]1 ZINC000356118012 356706654 /nfs/dbraw/zinc/70/66/54/356706654.db2.gz DRWLCADGCAHQFP-WDEREUQCSA-N 2 2 266.345 0.698 20 0 CCADLP CC[C@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)c1[nH]cc[nH+]1 ZINC000356118012 356706656 /nfs/dbraw/zinc/70/66/56/356706656.db2.gz DRWLCADGCAHQFP-WDEREUQCSA-N 2 2 266.345 0.698 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1(O)CCC1 ZINC000356201295 356721221 /nfs/dbraw/zinc/72/12/21/356721221.db2.gz HURPAPLRKWBDIJ-UHFFFAOYSA-N 2 2 283.416 0.386 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1(O)CCC1 ZINC000356201295 356721224 /nfs/dbraw/zinc/72/12/24/356721224.db2.gz HURPAPLRKWBDIJ-UHFFFAOYSA-N 2 2 283.416 0.386 20 0 CCADLP C[NH+](C)CCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000356302298 356744008 /nfs/dbraw/zinc/74/40/08/356744008.db2.gz RMLNIJLPUOBVRL-LBPRGKRZSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+](CCNC(=O)NCC[NH+]1CCOC[C@@H]1C)C1CC1 ZINC000356313374 356745175 /nfs/dbraw/zinc/74/51/75/356745175.db2.gz QWOHMKCWPFFPMW-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@@H+](CCNC(=O)NCC[NH+]1CCOC[C@@H]1C)C1CC1 ZINC000356313374 356745181 /nfs/dbraw/zinc/74/51/81/356745181.db2.gz QWOHMKCWPFFPMW-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH+](CCNC(=O)NCC[N@H+]1CCOC[C@@H]1C)C1CC1 ZINC000356313374 356745192 /nfs/dbraw/zinc/74/51/92/356745192.db2.gz QWOHMKCWPFFPMW-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H](C(=O)NCCc1ccccc1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359309749 356800005 /nfs/dbraw/zinc/80/00/05/356800005.db2.gz RVOLKRMMOWFBAJ-FVQBIDKESA-N 2 2 287.407 0.885 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)no1 ZINC000359365188 356809245 /nfs/dbraw/zinc/80/92/45/356809245.db2.gz VNRJUGCWBPOTOF-NSHDSACASA-N 2 2 278.356 0.656 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)no1 ZINC000359365188 356809247 /nfs/dbraw/zinc/80/92/47/356809247.db2.gz VNRJUGCWBPOTOF-NSHDSACASA-N 2 2 278.356 0.656 20 0 CCADLP COC(=O)[C@@H](C1CC1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000359592246 356853483 /nfs/dbraw/zinc/85/34/83/356853483.db2.gz XSVXNSPKTLKUES-CQSZACIVSA-N 2 2 283.416 0.507 20 0 CCADLP COC(=O)[C@@H](C1CC1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000359592246 356853487 /nfs/dbraw/zinc/85/34/87/356853487.db2.gz XSVXNSPKTLKUES-CQSZACIVSA-N 2 2 283.416 0.507 20 0 CCADLP CCNC(=O)[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655683647 412645858 /nfs/dbraw/zinc/64/58/58/412645858.db2.gz TWJOYAZXDUGWLY-OCCSQVGLSA-N 2 2 283.416 0.744 20 0 CCADLP CCCN(CC[NH+](C)C)C(=O)[C@H]1COCC[N@@H+]1CC ZINC000342404021 283230608 /nfs/dbraw/zinc/23/06/08/283230608.db2.gz GQQSGSWIOMWAGR-CYBMUJFWSA-N 2 2 271.405 0.507 20 0 CCADLP CCCN(CC[NH+](C)C)C(=O)[C@H]1COCC[N@H+]1CC ZINC000342404021 283230615 /nfs/dbraw/zinc/23/06/15/283230615.db2.gz GQQSGSWIOMWAGR-CYBMUJFWSA-N 2 2 271.405 0.507 20 0 CCADLP O=C1NCCCC[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655687652 412646045 /nfs/dbraw/zinc/64/60/45/412646045.db2.gz USLMZCKZCURJSG-LSDHHAIUSA-N 2 2 295.427 0.888 20 0 CCADLP C[NH+]1CCC([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655684152 412646449 /nfs/dbraw/zinc/64/64/49/412646449.db2.gz YEQKVVJCUABYSA-OAHLLOKOSA-N 3 2 267.417 0.924 20 0 CCADLP CCOCCOC[C@H](O)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000360180176 356966570 /nfs/dbraw/zinc/96/65/70/356966570.db2.gz GKVDRIKFQRBBLZ-CQSZACIVSA-N 2 2 293.367 0.838 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCOCC3(CC3)C2)CC1 ZINC000360097447 356946869 /nfs/dbraw/zinc/94/68/69/356946869.db2.gz JZLMGEVEHFGTCA-CQSZACIVSA-N 2 2 295.427 0.651 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCOCC3(CC3)C2)CC1 ZINC000360097447 356946872 /nfs/dbraw/zinc/94/68/72/356946872.db2.gz JZLMGEVEHFGTCA-CQSZACIVSA-N 2 2 295.427 0.651 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC000329154965 202210117 /nfs/dbraw/zinc/21/01/17/202210117.db2.gz AQVBQJOLBLGEHF-TZMCWYRMSA-N 2 2 292.383 0.664 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCO3)C2)CC1 ZINC000362710293 357056309 /nfs/dbraw/zinc/05/63/09/357056309.db2.gz JAHRVGXOAALDKR-OCCSQVGLSA-N 2 2 281.400 0.450 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCO3)C2)CC1 ZINC000362710293 357056312 /nfs/dbraw/zinc/05/63/12/357056312.db2.gz JAHRVGXOAALDKR-OCCSQVGLSA-N 2 2 281.400 0.450 20 0 CCADLP [NH3+][C@H]1CCc2ncc(NC(=O)[C@H]3CC(F)(F)C[NH2+]3)cc2C1 ZINC000360834152 357042338 /nfs/dbraw/zinc/04/23/38/357042338.db2.gz OVPUXPVELQETLE-JOYOIKCWSA-N 2 2 296.321 0.833 20 0 CCADLP CN1CCC[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1=O ZINC000655717865 412651836 /nfs/dbraw/zinc/65/18/36/412651836.db2.gz FFMLLERYCXUNOR-LSDHHAIUSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cnccn3)C2)CC1 ZINC000369272585 357343796 /nfs/dbraw/zinc/34/37/96/357343796.db2.gz CFLINTWOTCEPQX-LBPRGKRZSA-N 2 2 289.383 0.375 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cnccn3)C2)CC1 ZINC000369272585 357343801 /nfs/dbraw/zinc/34/38/01/357343801.db2.gz CFLINTWOTCEPQX-LBPRGKRZSA-N 2 2 289.383 0.375 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3(C)COC3)C2)CC1 ZINC000373309251 357385997 /nfs/dbraw/zinc/38/59/97/357385997.db2.gz FDFCXOFBSOFBAG-LBPRGKRZSA-N 2 2 281.400 0.308 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3(C)COC3)C2)CC1 ZINC000373309251 357386000 /nfs/dbraw/zinc/38/60/00/357386000.db2.gz FDFCXOFBSOFBAG-LBPRGKRZSA-N 2 2 281.400 0.308 20 0 CCADLP O=C(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)NCC1CC1 ZINC000655752950 412655103 /nfs/dbraw/zinc/65/51/03/412655103.db2.gz SRHBEQYEXHUNKX-HNNXBMFYSA-N 2 2 295.427 0.746 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@H](C)[NH2+]C1CC1)[NH+]1CCOCC1 ZINC000449119308 236017767 /nfs/dbraw/zinc/01/77/67/236017767.db2.gz YAOCMNWCODGQIF-SDDRHHMPSA-N 2 2 269.389 0.352 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000378382656 357677745 /nfs/dbraw/zinc/67/77/45/357677745.db2.gz NDOCLANXIPEJSH-KGLIPLIRSA-N 2 2 281.400 0.119 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000378382656 357677747 /nfs/dbraw/zinc/67/77/47/357677747.db2.gz NDOCLANXIPEJSH-KGLIPLIRSA-N 2 2 281.400 0.119 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)CCc1ccccn1 ZINC000381148579 357707970 /nfs/dbraw/zinc/70/79/70/357707970.db2.gz JIEAXRBHAMLPSS-AWEZNQCLSA-N 2 2 251.374 0.869 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCc1ccccn1 ZINC000381148579 357707975 /nfs/dbraw/zinc/70/79/75/357707975.db2.gz JIEAXRBHAMLPSS-AWEZNQCLSA-N 2 2 251.374 0.869 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)CCc1ccccn1 ZINC000381148579 357707981 /nfs/dbraw/zinc/70/79/81/357707981.db2.gz JIEAXRBHAMLPSS-AWEZNQCLSA-N 2 2 251.374 0.869 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCc1ccccn1 ZINC000381148579 357707986 /nfs/dbraw/zinc/70/79/86/357707986.db2.gz JIEAXRBHAMLPSS-AWEZNQCLSA-N 2 2 251.374 0.869 20 0 CCADLP Cc1nc(NC2CC[NH+](C(C)C)CC2)nc(N)[nH+]1 ZINC000395781376 357761483 /nfs/dbraw/zinc/76/14/83/357761483.db2.gz ZEPMEODLZWLWAU-UHFFFAOYSA-N 2 2 250.350 0.877 20 0 CCADLP Cc1nc(N)nc(NC2CC[NH+](C(C)C)CC2)[nH+]1 ZINC000395781376 357761488 /nfs/dbraw/zinc/76/14/88/357761488.db2.gz ZEPMEODLZWLWAU-UHFFFAOYSA-N 2 2 250.350 0.877 20 0 CCADLP CCn1cc[nH+]c1CN1CC[C@H]2OCC[NH2+][C@H]2C1 ZINC000404281747 357820008 /nfs/dbraw/zinc/82/00/08/357820008.db2.gz VRTXGXNINVDYMG-NWDGAFQWSA-N 2 2 250.346 0.466 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000450254956 236077276 /nfs/dbraw/zinc/07/72/76/236077276.db2.gz WXJCLUQVFOLULI-ZDUSSCGKSA-N 2 2 269.389 0.119 20 0 CCADLP CCO[C@@H]1C[N@H+](Cc2ccc(OC)nc2)C[C@H]1C[NH3+] ZINC000405512597 357827176 /nfs/dbraw/zinc/82/71/76/357827176.db2.gz GHTYPQUXZHXMCF-CHWSQXEVSA-N 2 2 265.357 0.886 20 0 CCADLP CCO[C@@H]1C[N@@H+](Cc2ccc(OC)nc2)C[C@H]1C[NH3+] ZINC000405512597 357827179 /nfs/dbraw/zinc/82/71/79/357827179.db2.gz GHTYPQUXZHXMCF-CHWSQXEVSA-N 2 2 265.357 0.886 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1CS(N)(=O)=O ZINC000407948654 357831435 /nfs/dbraw/zinc/83/14/35/357831435.db2.gz JWJPLPTZKUTATM-RYUDHWBXSA-N 2 2 275.418 0.224 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1CS(N)(=O)=O ZINC000407948654 357831437 /nfs/dbraw/zinc/83/14/37/357831437.db2.gz JWJPLPTZKUTATM-RYUDHWBXSA-N 2 2 275.418 0.224 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000407948654 357831439 /nfs/dbraw/zinc/83/14/39/357831439.db2.gz JWJPLPTZKUTATM-RYUDHWBXSA-N 2 2 275.418 0.224 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000407948654 357831442 /nfs/dbraw/zinc/83/14/42/357831442.db2.gz JWJPLPTZKUTATM-RYUDHWBXSA-N 2 2 275.418 0.224 20 0 CCADLP CS[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000336253641 213087805 /nfs/dbraw/zinc/08/78/05/213087805.db2.gz MWUZSIHKYRISJO-LLVKDONJSA-N 2 2 257.403 0.198 20 0 CCADLP CS[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000336253641 213087807 /nfs/dbraw/zinc/08/78/07/213087807.db2.gz MWUZSIHKYRISJO-LLVKDONJSA-N 2 2 257.403 0.198 20 0 CCADLP C[C@H](C(=O)NCCC[NH+]1CCOCC1)[NH+]1CC(C)C1 ZINC000561068994 291116112 /nfs/dbraw/zinc/11/61/12/291116112.db2.gz HURCESBMYVXAGX-CYBMUJFWSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H]1C[N@H+](CCO)CCN1c1cc(NCC2CC2)[nH+]cn1 ZINC000450957636 236125197 /nfs/dbraw/zinc/12/51/97/236125197.db2.gz USZBASUHLIHKIV-LBPRGKRZSA-N 2 2 291.399 0.801 20 0 CCADLP C[C@H]1C[N@@H+](CCO)CCN1c1cc(NCC2CC2)[nH+]cn1 ZINC000450957636 236125199 /nfs/dbraw/zinc/12/51/99/236125199.db2.gz USZBASUHLIHKIV-LBPRGKRZSA-N 2 2 291.399 0.801 20 0 CCADLP C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420362672 358180415 /nfs/dbraw/zinc/18/04/15/358180415.db2.gz ZNLRCRSJGLJPIQ-MVKMKZAISA-N 2 2 271.405 0.321 20 0 CCADLP C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420362672 358180417 /nfs/dbraw/zinc/18/04/17/358180417.db2.gz ZNLRCRSJGLJPIQ-MVKMKZAISA-N 2 2 271.405 0.321 20 0 CCADLP C[C@@H]1CC[N@H+](CCCS(=O)(=O)N(C)C)[C@@H](C[NH3+])C1 ZINC000420347190 358180455 /nfs/dbraw/zinc/18/04/55/358180455.db2.gz XXDTVUNXQLPLLM-VXGBXAGGSA-N 2 2 277.434 0.327 20 0 CCADLP C[C@@H]1CC[N@@H+](CCCS(=O)(=O)N(C)C)[C@@H](C[NH3+])C1 ZINC000420347190 358180456 /nfs/dbraw/zinc/18/04/56/358180456.db2.gz XXDTVUNXQLPLLM-VXGBXAGGSA-N 2 2 277.434 0.327 20 0 CCADLP C[C@]1(C[NH3+])CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000423617995 358202550 /nfs/dbraw/zinc/20/25/50/358202550.db2.gz YMBYUPMHCFRAQC-GDBMZVCRSA-N 2 2 295.427 0.827 20 0 CCADLP C[C@]1(C[NH3+])CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000423617995 358202555 /nfs/dbraw/zinc/20/25/55/358202555.db2.gz YMBYUPMHCFRAQC-GDBMZVCRSA-N 2 2 295.427 0.827 20 0 CCADLP O=C(CC[C@@H]1CCC[NH2+]1)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424197788 358209789 /nfs/dbraw/zinc/20/97/89/358209789.db2.gz WZJGKHIMNTWELV-MNOVXSKESA-N 2 2 275.343 0.880 20 0 CCADLP CNS(=O)(=O)CCC[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000430644805 358228336 /nfs/dbraw/zinc/22/83/36/358228336.db2.gz AKFNBNPKCIQNAA-MNOVXSKESA-N 2 2 263.407 0.127 20 0 CCADLP CNS(=O)(=O)CCC[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000430644805 358228339 /nfs/dbraw/zinc/22/83/39/358228339.db2.gz AKFNBNPKCIQNAA-MNOVXSKESA-N 2 2 263.407 0.127 20 0 CCADLP Cn1cc(N2CCC[C@@H]([N@@H+]3CC[C@H](C[NH3+])C3)C2=O)cn1 ZINC000430915570 358229394 /nfs/dbraw/zinc/22/93/94/358229394.db2.gz DDXOSIFEHFSYAW-DGCLKSJQSA-N 2 2 277.372 0.196 20 0 CCADLP Cn1cc(N2CCC[C@@H]([N@H+]3CC[C@H](C[NH3+])C3)C2=O)cn1 ZINC000430915570 358229397 /nfs/dbraw/zinc/22/93/97/358229397.db2.gz DDXOSIFEHFSYAW-DGCLKSJQSA-N 2 2 277.372 0.196 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc[nH]c1 ZINC000267927869 283352400 /nfs/dbraw/zinc/35/24/00/283352400.db2.gz LASKIAJROBHFCE-GFCCVEGCSA-N 2 2 250.346 0.444 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cc[nH]c1 ZINC000267927869 283352402 /nfs/dbraw/zinc/35/24/02/283352402.db2.gz LASKIAJROBHFCE-GFCCVEGCSA-N 2 2 250.346 0.444 20 0 CCADLP CCN1CC[NH+](CC(C)(C)NC(=O)C[NH+](CC)CC)CC1 ZINC000456875994 358273413 /nfs/dbraw/zinc/27/34/13/358273413.db2.gz AGKAFKJCMQYXPX-UHFFFAOYSA-N 2 2 298.475 0.861 20 0 CCADLP Cn1cncc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000329268643 202258946 /nfs/dbraw/zinc/25/89/46/202258946.db2.gz IDARUJJWCHOGDD-CABCVRRESA-N 2 2 278.400 0.888 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000517381738 358342829 /nfs/dbraw/zinc/34/28/29/358342829.db2.gz NUEAFUHHPYKZQL-LSDHHAIUSA-N 3 2 269.433 0.765 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000517381738 358342833 /nfs/dbraw/zinc/34/28/33/358342833.db2.gz NUEAFUHHPYKZQL-LSDHHAIUSA-N 3 2 269.433 0.765 20 0 CCADLP CCCNC(=O)C[NH+]1CCC(N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422844507 283368506 /nfs/dbraw/zinc/36/85/06/283368506.db2.gz LZKZKHYPNYCFES-ZFWWWQNUSA-N 2 2 296.459 0.565 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CCN(C3CCCCC3)C2=O)CCCO1 ZINC000530226839 358383140 /nfs/dbraw/zinc/38/31/40/358383140.db2.gz UAVSREBNQKNASP-LSDHHAIUSA-N 2 2 295.427 0.970 20 0 CCADLP [NH3+]C[C@H]1C[N@H+]([C@@H]2CCN(C3CCCCC3)C2=O)CCCO1 ZINC000530226839 358383143 /nfs/dbraw/zinc/38/31/43/358383143.db2.gz UAVSREBNQKNASP-LSDHHAIUSA-N 2 2 295.427 0.970 20 0 CCADLP O=C(NCC[C@H]1CCC[NH2+]1)NCC1([NH+]2CCOCC2)CC1 ZINC000565529739 358562130 /nfs/dbraw/zinc/56/21/30/358562130.db2.gz VREJEXSIRYNFCG-CYBMUJFWSA-N 2 2 296.415 0.293 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)[C@H]([NH3+])c1cscn1 ZINC000567764355 358583672 /nfs/dbraw/zinc/58/36/72/358583672.db2.gz ZWIDIDRDMSOFBW-SNVBAGLBSA-N 2 2 256.375 0.599 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)[C@H]([NH3+])c1cscn1 ZINC000567764355 358583676 /nfs/dbraw/zinc/58/36/76/358583676.db2.gz ZWIDIDRDMSOFBW-SNVBAGLBSA-N 2 2 256.375 0.599 20 0 CCADLP CC(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000567892583 358607158 /nfs/dbraw/zinc/60/71/58/358607158.db2.gz SCYMPIPWVLWMRI-AVGNSLFASA-N 2 2 269.389 0.149 20 0 CCADLP CC(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000567892583 358607161 /nfs/dbraw/zinc/60/71/61/358607161.db2.gz SCYMPIPWVLWMRI-AVGNSLFASA-N 2 2 269.389 0.149 20 0 CCADLP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567889593 358607267 /nfs/dbraw/zinc/60/72/67/358607267.db2.gz BJJPAMYOKUCHRE-OAHLLOKOSA-N 2 2 265.401 0.930 20 0 CCADLP CN(CC1CC1)C(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567889593 358607271 /nfs/dbraw/zinc/60/72/71/358607271.db2.gz BJJPAMYOKUCHRE-OAHLLOKOSA-N 2 2 265.401 0.930 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000567821567 358592946 /nfs/dbraw/zinc/59/29/46/358592946.db2.gz CSNYEKVDHDKVPY-IGQOVBAYSA-N 2 2 298.431 0.617 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](n2cccn2)C1 ZINC000568178475 358641933 /nfs/dbraw/zinc/64/19/33/358641933.db2.gz PQCWGKAABPZDER-QWHCGFSZSA-N 2 2 252.362 0.443 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](n2cccn2)C1 ZINC000568178475 358641936 /nfs/dbraw/zinc/64/19/36/358641936.db2.gz PQCWGKAABPZDER-QWHCGFSZSA-N 2 2 252.362 0.443 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000568178475 358641937 /nfs/dbraw/zinc/64/19/37/358641937.db2.gz PQCWGKAABPZDER-QWHCGFSZSA-N 2 2 252.362 0.443 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000568178475 358641941 /nfs/dbraw/zinc/64/19/41/358641941.db2.gz PQCWGKAABPZDER-QWHCGFSZSA-N 2 2 252.362 0.443 20 0 CCADLP [NH3+][C@@H]1CCN(C(=O)C2CC[NH+](CC(F)F)CC2)C1 ZINC000567833992 358597062 /nfs/dbraw/zinc/59/70/62/358597062.db2.gz UPFONIYXEVHMNU-SNVBAGLBSA-N 2 2 261.316 0.523 20 0 CCADLP Cc1[nH+]cc(C[NH2+]C[C@@H](O)COCC(C)C)n1C ZINC000568269843 358660875 /nfs/dbraw/zinc/66/08/75/358660875.db2.gz ZTGHKPJUEJUHNR-CYBMUJFWSA-N 2 2 255.362 0.852 20 0 CCADLP CC[NH+]1CCN(CCC[NH2+]Cc2c[nH+]c(C)n2C)CC1 ZINC000568273302 358661159 /nfs/dbraw/zinc/66/11/59/358661159.db2.gz QKOXBWPOBIKTAD-UHFFFAOYSA-N 3 2 279.432 0.846 20 0 CCADLP O=S1(=O)CCC[C@@H](C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000568512196 358680719 /nfs/dbraw/zinc/68/07/19/358680719.db2.gz RDXKEUXLOXMBPK-KBPBESRZSA-N 2 2 286.441 0.887 20 0 CCADLP O=S1(=O)CCC[C@@H](C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000568512196 358680722 /nfs/dbraw/zinc/68/07/22/358680722.db2.gz RDXKEUXLOXMBPK-KBPBESRZSA-N 2 2 286.441 0.887 20 0 CCADLP O=C(C[NH2+]C1CC1)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000568624572 358690264 /nfs/dbraw/zinc/69/02/64/358690264.db2.gz PXQVFQXUNZKLJU-UHFFFAOYSA-N 2 2 290.367 0.286 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000568663034 358696234 /nfs/dbraw/zinc/69/62/34/358696234.db2.gz QPNLTVCJQVQYQB-LBPRGKRZSA-N 2 2 296.415 0.896 20 0 CCADLP CC[NH2+]CC1CCN(C(=O)[C@@H]([NH3+])c2cscn2)CC1 ZINC000569359909 358758254 /nfs/dbraw/zinc/75/82/54/358758254.db2.gz XOXBMVSFHDPUCT-LBPRGKRZSA-N 2 2 282.413 0.991 20 0 CCADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]Cc1c[nH]c2nccnc12 ZINC000569425447 358762491 /nfs/dbraw/zinc/76/24/91/358762491.db2.gz UAQYWGUOYZBIEJ-ZDUSSCGKSA-N 2 2 289.383 0.846 20 0 CCADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]Cc1c[nH]c2nccnc12 ZINC000569425447 358762495 /nfs/dbraw/zinc/76/24/95/358762495.db2.gz UAQYWGUOYZBIEJ-ZDUSSCGKSA-N 2 2 289.383 0.846 20 0 CCADLP C[C@H]1C[C@H]1N1C[C@H]([NH2+][C@H]2C[N@H+](C)C[C@H]2C)CC1=O ZINC000358180063 291158635 /nfs/dbraw/zinc/15/86/35/291158635.db2.gz SHSRLPJYFOLSIZ-CKIKVBCHSA-N 2 2 251.374 0.535 20 0 CCADLP C[C@H]1C[C@H]1N1C[C@H]([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CC1=O ZINC000358180063 291158637 /nfs/dbraw/zinc/15/86/37/291158637.db2.gz SHSRLPJYFOLSIZ-CKIKVBCHSA-N 2 2 251.374 0.535 20 0 CCADLP Cc1c[nH+]c(C)nc1N1CCO[C@@H](C[NH+](C)C)C1 ZINC000569019847 358727219 /nfs/dbraw/zinc/72/72/19/358727219.db2.gz PLGLPQXNGVZSBT-LBPRGKRZSA-N 2 2 250.346 0.860 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)c2coc(C[NH3+])c2)CCO1 ZINC000569578935 358774910 /nfs/dbraw/zinc/77/49/10/358774910.db2.gz DBEJUCVORANEKU-SNVBAGLBSA-N 2 2 267.329 0.189 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)c2coc(C[NH3+])c2)CCO1 ZINC000569578935 358774914 /nfs/dbraw/zinc/77/49/14/358774914.db2.gz DBEJUCVORANEKU-SNVBAGLBSA-N 2 2 267.329 0.189 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000569605552 358778381 /nfs/dbraw/zinc/77/83/81/358778381.db2.gz MKQWXKZDFFWKAU-QJPTWQEYSA-N 2 2 296.392 0.691 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)[NH2+]C[C@H](C)S(C)(=O)=O ZINC000570632192 358877330 /nfs/dbraw/zinc/87/73/30/358877330.db2.gz FGDYHQJRHVLLOS-RYUDHWBXSA-N 2 2 280.434 0.102 20 0 CCADLP C[C@@H](c1cnccn1)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000571166090 358917520 /nfs/dbraw/zinc/91/75/20/358917520.db2.gz RXMVYNJHIOXJAA-STQMWFEESA-N 2 2 289.383 0.434 20 0 CCADLP C[C@@H](c1cnccn1)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000571166090 358917523 /nfs/dbraw/zinc/91/75/23/358917523.db2.gz RXMVYNJHIOXJAA-STQMWFEESA-N 2 2 289.383 0.434 20 0 CCADLP COC(=O)C[C@@H]1CCC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000571165629 358917533 /nfs/dbraw/zinc/91/75/33/358917533.db2.gz BKKUUYQRJAXCKL-VIFPVBQESA-N 2 2 282.344 0.791 20 0 CCADLP COC(=O)C[C@@H]1CCC[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000571165629 358917537 /nfs/dbraw/zinc/91/75/37/358917537.db2.gz BKKUUYQRJAXCKL-VIFPVBQESA-N 2 2 282.344 0.791 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCCCC[NH2+]2)CCO1 ZINC000570685552 358883502 /nfs/dbraw/zinc/88/35/02/358883502.db2.gz SGNHEQLIIVGBDU-OLZOCXBDSA-N 2 2 269.389 0.356 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCCCC[NH2+]2)CCO1 ZINC000570685552 358883506 /nfs/dbraw/zinc/88/35/06/358883506.db2.gz SGNHEQLIIVGBDU-OLZOCXBDSA-N 2 2 269.389 0.356 20 0 CCADLP C[C@H]1CC[C@H](C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1 ZINC000570733549 358889812 /nfs/dbraw/zinc/88/98/12/358889812.db2.gz PZKAEWHYTWMLDS-JHJVBQTASA-N 2 2 253.390 0.914 20 0 CCADLP C[C@H]1CC[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1 ZINC000570733549 358889815 /nfs/dbraw/zinc/88/98/15/358889815.db2.gz PZKAEWHYTWMLDS-JHJVBQTASA-N 2 2 253.390 0.914 20 0 CCADLP CCc1ncsc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000570810905 358896873 /nfs/dbraw/zinc/89/68/73/358896873.db2.gz FKCZJDDVMSSUOP-VIFPVBQESA-N 2 2 283.401 0.812 20 0 CCADLP CCc1ncsc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000570810905 358896876 /nfs/dbraw/zinc/89/68/76/358896876.db2.gz FKCZJDDVMSSUOP-VIFPVBQESA-N 2 2 283.401 0.812 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000570963107 358899614 /nfs/dbraw/zinc/89/96/14/358899614.db2.gz PYJANTXAKRVYJR-OLZOCXBDSA-N 2 2 291.395 0.984 20 0 CCADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000571042980 358906142 /nfs/dbraw/zinc/90/61/42/358906142.db2.gz XKGOGGBOYWBGAP-NEPJUHHUSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000571042980 358906144 /nfs/dbraw/zinc/90/61/44/358906144.db2.gz XKGOGGBOYWBGAP-NEPJUHHUSA-N 2 2 269.389 0.211 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](CCc2ccnn2C)CC1 ZINC000571223133 358923868 /nfs/dbraw/zinc/92/38/68/358923868.db2.gz RKAWZBSTKZCPIU-UHFFFAOYSA-N 2 2 280.416 0.788 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccccc1CC[NH3+] ZINC000574167191 359034509 /nfs/dbraw/zinc/03/45/09/359034509.db2.gz CEUJFTIBXDLLCW-CYBMUJFWSA-N 2 2 291.395 0.638 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccccc1CC[NH3+] ZINC000574167191 359034514 /nfs/dbraw/zinc/03/45/14/359034514.db2.gz CEUJFTIBXDLLCW-CYBMUJFWSA-N 2 2 291.395 0.638 20 0 CCADLP CC(C)(C)NC(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000573635231 358986001 /nfs/dbraw/zinc/98/60/01/358986001.db2.gz BKUJHSWIBPQRCL-UHFFFAOYSA-N 2 2 265.361 0.446 20 0 CCADLP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cc1c[nH+]cn1C ZINC000579990469 359074750 /nfs/dbraw/zinc/07/47/50/359074750.db2.gz FMPUYLOMSQTILE-QWRGUYRKSA-N 2 2 250.346 0.514 20 0 CCADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Cc1c[nH+]cn1C ZINC000579990469 359074752 /nfs/dbraw/zinc/07/47/52/359074752.db2.gz FMPUYLOMSQTILE-QWRGUYRKSA-N 2 2 250.346 0.514 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)OC2(CCC2)C1 ZINC000580343735 359082376 /nfs/dbraw/zinc/08/23/76/359082376.db2.gz XAKZZLPSVGKQQL-KBPBESRZSA-N 2 2 286.416 0.569 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)OC2(CCC2)C1 ZINC000580343735 359082382 /nfs/dbraw/zinc/08/23/82/359082382.db2.gz XAKZZLPSVGKQQL-KBPBESRZSA-N 2 2 286.416 0.569 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000580343735 359082391 /nfs/dbraw/zinc/08/23/91/359082391.db2.gz XAKZZLPSVGKQQL-KBPBESRZSA-N 2 2 286.416 0.569 20 0 CCADLP C[C@@H](C(=O)NCCC[NH+]1CCN(C)CC1)[NH+]1CC(C)C1 ZINC000580841079 359100421 /nfs/dbraw/zinc/10/04/21/359100421.db2.gz CFZZYEZOPNYNAO-AWEZNQCLSA-N 2 2 282.432 0.080 20 0 CCADLP CNC(=O)CCC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000582428297 359147381 /nfs/dbraw/zinc/14/73/81/359147381.db2.gz HLNHLCPLQXXLKV-CQSZACIVSA-N 2 2 283.416 0.557 20 0 CCADLP CNC(=O)CCC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000582428297 359147383 /nfs/dbraw/zinc/14/73/83/359147383.db2.gz HLNHLCPLQXXLKV-CQSZACIVSA-N 2 2 283.416 0.557 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000584589774 359176521 /nfs/dbraw/zinc/17/65/21/359176521.db2.gz PPHQQAFBFMRCEV-ZYHUDNBSSA-N 2 2 286.339 0.390 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2nccn2C)C1 ZINC000584789051 359208408 /nfs/dbraw/zinc/20/84/08/359208408.db2.gz VLOMJFYNKKOMJI-KGLIPLIRSA-N 2 2 296.415 0.149 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2nccn2C)C1 ZINC000584789051 359208413 /nfs/dbraw/zinc/20/84/13/359208413.db2.gz VLOMJFYNKKOMJI-KGLIPLIRSA-N 2 2 296.415 0.149 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000584789051 359208417 /nfs/dbraw/zinc/20/84/17/359208417.db2.gz VLOMJFYNKKOMJI-KGLIPLIRSA-N 2 2 296.415 0.149 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000584789051 359208423 /nfs/dbraw/zinc/20/84/23/359208423.db2.gz VLOMJFYNKKOMJI-KGLIPLIRSA-N 2 2 296.415 0.149 20 0 CCADLP C[NH+](C)CCCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000586785213 359290499 /nfs/dbraw/zinc/29/04/99/359290499.db2.gz LVKKLAHKJOUDOI-UHFFFAOYSA-N 2 2 286.420 0.348 20 0 CCADLP C[NH+](C)CCCNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000586785213 359290505 /nfs/dbraw/zinc/29/05/05/359290505.db2.gz LVKKLAHKJOUDOI-UHFFFAOYSA-N 2 2 286.420 0.348 20 0 CCADLP C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)nn1)[NH+](C)C ZINC000586750966 359282846 /nfs/dbraw/zinc/28/28/46/359282846.db2.gz GLYDRWZNDYNOOD-JTQLQIEISA-N 2 2 274.328 0.342 20 0 CCADLP CC(=O)NCC[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588689078 359331077 /nfs/dbraw/zinc/33/10/77/359331077.db2.gz MEYWSRQVHPRNGW-HNNXBMFYSA-N 2 2 279.384 0.205 20 0 CCADLP CC(=O)NCC[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588689078 359331083 /nfs/dbraw/zinc/33/10/83/359331083.db2.gz MEYWSRQVHPRNGW-HNNXBMFYSA-N 2 2 279.384 0.205 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000591176907 359566043 /nfs/dbraw/zinc/56/60/43/359566043.db2.gz HAGKMBIOYNOFLZ-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000591176907 359566046 /nfs/dbraw/zinc/56/60/46/359566046.db2.gz HAGKMBIOYNOFLZ-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000591176907 359566054 /nfs/dbraw/zinc/56/60/54/359566054.db2.gz HAGKMBIOYNOFLZ-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000591176907 359566059 /nfs/dbraw/zinc/56/60/59/359566059.db2.gz HAGKMBIOYNOFLZ-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)no1 ZINC000591082210 359555878 /nfs/dbraw/zinc/55/58/78/359555878.db2.gz DNFFTPMDBXQTHG-GFCCVEGCSA-N 2 2 289.339 0.877 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)no1 ZINC000591082210 359555881 /nfs/dbraw/zinc/55/58/81/359555881.db2.gz DNFFTPMDBXQTHG-GFCCVEGCSA-N 2 2 289.339 0.877 20 0 CCADLP O=C(C[NH2+]C[C@H]1CCCO1)NCCNc1cccc[nH+]1 ZINC000563065432 291187490 /nfs/dbraw/zinc/18/74/90/291187490.db2.gz VOMIBZYQDLFRCM-GFCCVEGCSA-N 2 2 278.356 0.378 20 0 CCADLP C[NH+](C)CC1CCN(C(=O)[C@H]([NH3+])c2cscn2)CC1 ZINC000563081547 291189133 /nfs/dbraw/zinc/18/91/33/291189133.db2.gz IDNHPIPABHNKNW-GFCCVEGCSA-N 2 2 282.413 0.943 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)NCC[N@@H+]1CCCOCC1 ZINC000492893504 237330859 /nfs/dbraw/zinc/33/08/59/237330859.db2.gz FYRISULGDFSAEB-IHWYPQMZSA-N 2 2 264.329 0.261 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)NCC[N@H+]1CCCOCC1 ZINC000492893504 237330866 /nfs/dbraw/zinc/33/08/66/237330866.db2.gz FYRISULGDFSAEB-IHWYPQMZSA-N 2 2 264.329 0.261 20 0 CCADLP COCCCNC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591916041 359694176 /nfs/dbraw/zinc/69/41/76/359694176.db2.gz UHNXSAKPGSSZJB-ZDUSSCGKSA-N 2 2 280.372 0.673 20 0 CCADLP COCCCNC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591916041 359694180 /nfs/dbraw/zinc/69/41/80/359694180.db2.gz UHNXSAKPGSSZJB-ZDUSSCGKSA-N 2 2 280.372 0.673 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CCn2cc[nH+]c2C)C1 ZINC000592194972 359785510 /nfs/dbraw/zinc/78/55/10/359785510.db2.gz IFBLMQIZYDPZMV-VXGBXAGGSA-N 2 2 267.329 0.047 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000592194972 359785514 /nfs/dbraw/zinc/78/55/14/359785514.db2.gz IFBLMQIZYDPZMV-VXGBXAGGSA-N 2 2 267.329 0.047 20 0 CCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000592198304 359788885 /nfs/dbraw/zinc/78/88/85/359788885.db2.gz PDUDLTKBJPWTQH-AAEUAGOBSA-N 2 2 297.399 0.080 20 0 CCADLP C[N@H+](CCC[NH3+])CC(=O)NC(=O)Nc1ccccc1 ZINC000592473592 359849768 /nfs/dbraw/zinc/84/97/68/359849768.db2.gz DWTGZVRKWGESRR-UHFFFAOYSA-N 2 2 264.329 0.615 20 0 CCADLP C[N@@H+](CCC[NH3+])CC(=O)NC(=O)Nc1ccccc1 ZINC000592473592 359849770 /nfs/dbraw/zinc/84/97/70/359849770.db2.gz DWTGZVRKWGESRR-UHFFFAOYSA-N 2 2 264.329 0.615 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC000592485254 359853205 /nfs/dbraw/zinc/85/32/05/359853205.db2.gz UJIBKZIDGOXJGE-NSHDSACASA-N 2 2 284.404 0.670 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC[NH2+]1 ZINC000621156366 366657735 /nfs/dbraw/zinc/65/77/35/366657735.db2.gz ZCCOJZWQGYYFAK-STQMWFEESA-N 2 2 276.384 0.902 20 0 CCADLP COC[C@](C)(CC(=O)OC)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000593018181 360015220 /nfs/dbraw/zinc/01/52/20/360015220.db2.gz LQFMZSMWQOXTHU-YPMHNXCESA-N 2 2 258.362 0.638 20 0 CCADLP COC[C@](C)(CC(=O)OC)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000593018181 360015223 /nfs/dbraw/zinc/01/52/23/360015223.db2.gz LQFMZSMWQOXTHU-YPMHNXCESA-N 2 2 258.362 0.638 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@H]2COCCO2)C1 ZINC000563351298 291215842 /nfs/dbraw/zinc/21/58/42/291215842.db2.gz YMSMQDPFKUJLCD-NEPJUHHUSA-N 2 2 251.330 0.625 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@H]2COCCO2)C1 ZINC000563351298 291215843 /nfs/dbraw/zinc/21/58/43/291215843.db2.gz YMSMQDPFKUJLCD-NEPJUHHUSA-N 2 2 251.330 0.625 20 0 CCADLP COC(=O)c1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1C ZINC000593904206 360202334 /nfs/dbraw/zinc/20/23/34/360202334.db2.gz SIKNCIQMZYOOMB-CYBMUJFWSA-N 2 2 293.367 0.999 20 0 CCADLP CCn1cc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cn1 ZINC000177134959 189031340 /nfs/dbraw/zinc/03/13/40/189031340.db2.gz HIXAZZOLDJFZEK-UHFFFAOYSA-N 2 2 293.415 0.659 20 0 CCADLP C[C@H](C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C)[NH+]1CC(C)C1 ZINC000563397934 291223097 /nfs/dbraw/zinc/22/30/97/291223097.db2.gz NGIHPKFTPMWZRB-KFWWJZLASA-N 2 2 295.427 0.648 20 0 CCADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000594750406 360375771 /nfs/dbraw/zinc/37/57/71/360375771.db2.gz TXUYOTZZTHXSCL-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000594750406 360375773 /nfs/dbraw/zinc/37/57/73/360375773.db2.gz TXUYOTZZTHXSCL-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000594988387 360430721 /nfs/dbraw/zinc/43/07/21/360430721.db2.gz FUIBOTBKJLABJY-KGLIPLIRSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000594988387 360430727 /nfs/dbraw/zinc/43/07/27/360430727.db2.gz FUIBOTBKJLABJY-KGLIPLIRSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000594988387 360430733 /nfs/dbraw/zinc/43/07/33/360430733.db2.gz FUIBOTBKJLABJY-KGLIPLIRSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000594988387 360430738 /nfs/dbraw/zinc/43/07/38/360430738.db2.gz FUIBOTBKJLABJY-KGLIPLIRSA-N 2 2 298.431 0.348 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178457480 189117842 /nfs/dbraw/zinc/11/78/42/189117842.db2.gz ALIVWWKNAMPKFO-LBPRGKRZSA-N 2 2 256.309 0.964 20 0 CCADLP CCOC(=O)CC1([NH2+]CCn2cc[nH+]c2)CCOCC1 ZINC000595877358 360688387 /nfs/dbraw/zinc/68/83/87/360688387.db2.gz LYFDCRZVYRICEV-UHFFFAOYSA-N 2 2 281.356 0.975 20 0 CCADLP C[NH+](C)C1(CS(=O)(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000631783966 370669994 /nfs/dbraw/zinc/66/99/94/370669994.db2.gz JNXSCHOACMHTGB-LLVKDONJSA-N 2 2 275.418 0.094 20 0 CCADLP C[NH+](C)C1(CS(=O)(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000631783966 370669996 /nfs/dbraw/zinc/66/99/96/370669996.db2.gz JNXSCHOACMHTGB-LLVKDONJSA-N 2 2 275.418 0.094 20 0 CCADLP CSCC[C@H]([NH3+])C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000595940776 360716789 /nfs/dbraw/zinc/71/67/89/360716789.db2.gz VWFVPCRIJRMOPY-TUAOUCFPSA-N 2 2 289.445 0.292 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)c1csc(C[NH3+])n1 ZINC000178763755 189144459 /nfs/dbraw/zinc/14/44/59/189144459.db2.gz VLMYUTITAZIZDP-UHFFFAOYSA-N 2 2 298.412 0.442 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)c1csc(C[NH3+])n1 ZINC000178763755 189144460 /nfs/dbraw/zinc/14/44/60/189144460.db2.gz VLMYUTITAZIZDP-UHFFFAOYSA-N 2 2 298.412 0.442 20 0 CCADLP Cc1ncc(C[NH+]2CCN(C(=O)[C@H](C)[NH3+])CC2)s1 ZINC000178883502 189152445 /nfs/dbraw/zinc/15/24/45/189152445.db2.gz KBADCVYKHPHEFT-VIFPVBQESA-N 2 2 268.386 0.443 20 0 CCADLP CC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000178887310 189152648 /nfs/dbraw/zinc/15/26/48/189152648.db2.gz AQENOVQWYFXWFI-AWEZNQCLSA-N 2 2 293.415 0.418 20 0 CCADLP O=C(NCc1ccn2cc[nH+]c2c1)[C@@H]1CCC[NH2+]C1 ZINC000178800709 189147573 /nfs/dbraw/zinc/14/75/73/189147573.db2.gz NTQWIAZJFJJOBB-GFCCVEGCSA-N 2 2 258.325 0.950 20 0 CCADLP COC(=O)Cc1cc[nH+]c(N[C@H](C)[C@H]2C[N@H+](C)CCO2)c1 ZINC000596168863 360820199 /nfs/dbraw/zinc/82/01/99/360820199.db2.gz YSRPUZWPTNILKU-DGCLKSJQSA-N 2 2 293.367 0.928 20 0 CCADLP COC(=O)Cc1cc[nH+]c(N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000596168863 360820203 /nfs/dbraw/zinc/82/02/03/360820203.db2.gz YSRPUZWPTNILKU-DGCLKSJQSA-N 2 2 293.367 0.928 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)NC[C@H]1CCCC[N@H+]1CCO ZINC000493555724 238201053 /nfs/dbraw/zinc/20/10/53/238201053.db2.gz MMJLVQLOCPNTQT-MUBLQREKSA-N 2 2 278.356 0.386 20 0 CCADLP CN(C(=O)Cc1cn2ccccc2[nH+]1)[C@H]1CC[NH2+]C1 ZINC000179047847 189164482 /nfs/dbraw/zinc/16/44/82/189164482.db2.gz CCJMQBOUMXLEDL-LBPRGKRZSA-N 2 2 258.325 0.697 20 0 CCADLP CC(C)=CCCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000563593728 291239955 /nfs/dbraw/zinc/23/99/55/291239955.db2.gz QKXAYHWSLRJXDF-GFCCVEGCSA-N 2 2 254.378 0.627 20 0 CCADLP CC(C)=CCCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000563593728 291239956 /nfs/dbraw/zinc/23/99/56/291239956.db2.gz QKXAYHWSLRJXDF-GFCCVEGCSA-N 2 2 254.378 0.627 20 0 CCADLP COCC[NH2+]CCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000179387396 189190354 /nfs/dbraw/zinc/19/03/54/189190354.db2.gz RTWMIXOXGQRDHC-UHFFFAOYSA-N 2 2 262.313 0.300 20 0 CCADLP C[C@H](CC(=O)N1CCCO[C@H](C[NH3+])C1)n1cc[nH+]c1 ZINC000563632285 291243631 /nfs/dbraw/zinc/24/36/31/291243631.db2.gz ZGKLFVUBIDKYBD-VXGBXAGGSA-N 2 2 266.345 0.410 20 0 CCADLP C[NH+](C)[C@]1(CNC(=O)/C=C/c2[nH]cc[nH+]2)CCSC1 ZINC000493789328 238384477 /nfs/dbraw/zinc/38/44/77/238384477.db2.gz MYTFPBPMVLPSOQ-OOPCZODUSA-N 2 2 280.397 0.976 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CCOc3ccccc3F)CCN2C1=O ZINC000563899164 291257952 /nfs/dbraw/zinc/25/79/52/291257952.db2.gz QREQYFKQCYMJNC-WCQYABFASA-N 2 2 293.342 0.448 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCOc3ccccc3F)CCN2C1=O ZINC000563899164 291257953 /nfs/dbraw/zinc/25/79/53/291257953.db2.gz QREQYFKQCYMJNC-WCQYABFASA-N 2 2 293.342 0.448 20 0 CCADLP C[C@@H](NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C[NH3+])c1ccccc1 ZINC000631827910 370695202 /nfs/dbraw/zinc/69/52/02/370695202.db2.gz YZSLLFFVRKGMFL-YRGRVCCFSA-N 2 2 279.384 0.504 20 0 CCADLP CCCn1nccc1NC(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000631823279 370688016 /nfs/dbraw/zinc/68/80/16/370688016.db2.gz AHEUXRJNOTZNPS-NWDGAFQWSA-N 2 2 279.388 0.901 20 0 CCADLP CCCn1nccc1NC(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000631823279 370688025 /nfs/dbraw/zinc/68/80/25/370688025.db2.gz AHEUXRJNOTZNPS-NWDGAFQWSA-N 2 2 279.388 0.901 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNc2cncc(C(N)=O)n2)CC1 ZINC000301523492 201045103 /nfs/dbraw/zinc/04/51/03/201045103.db2.gz FDDCJRBLOOFSKL-UHFFFAOYSA-N 2 2 292.387 0.013 20 0 CCADLP C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C[NH3+])c1ccccc1 ZINC000631827910 370695206 /nfs/dbraw/zinc/69/52/06/370695206.db2.gz YZSLLFFVRKGMFL-YRGRVCCFSA-N 2 2 279.384 0.504 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621645466 366815025 /nfs/dbraw/zinc/81/50/25/366815025.db2.gz HAMSHAMKEJMNHN-ZIAGYGMSSA-N 2 2 283.416 0.603 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621645466 366815028 /nfs/dbraw/zinc/81/50/28/366815028.db2.gz HAMSHAMKEJMNHN-ZIAGYGMSSA-N 2 2 283.416 0.603 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621645464 366815720 /nfs/dbraw/zinc/81/57/20/366815720.db2.gz HAMSHAMKEJMNHN-KGLIPLIRSA-N 2 2 283.416 0.603 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621645464 366815725 /nfs/dbraw/zinc/81/57/25/366815725.db2.gz HAMSHAMKEJMNHN-KGLIPLIRSA-N 2 2 283.416 0.603 20 0 CCADLP CN(C)c1cc[nH+]c(NCCC[NH+]2CCOCC2)n1 ZINC000301707160 201152001 /nfs/dbraw/zinc/15/20/01/201152001.db2.gz BXSBDVUEFQVORO-UHFFFAOYSA-N 2 2 265.361 0.677 20 0 CCADLP [NH3+][C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1cscn1 ZINC000564445590 291279696 /nfs/dbraw/zinc/27/96/96/291279696.db2.gz BZYKFRPWHBDHCM-LDYMZIIASA-N 2 2 266.370 0.496 20 0 CCADLP CCOC(=O)C[C@@H](O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000599337919 361659167 /nfs/dbraw/zinc/65/91/67/361659167.db2.gz MDXOGAICLNKVNN-GFCCVEGCSA-N 2 2 269.345 0.519 20 0 CCADLP CCOC(=O)C[C@@H](O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000599337919 361659171 /nfs/dbraw/zinc/65/91/71/361659171.db2.gz MDXOGAICLNKVNN-GFCCVEGCSA-N 2 2 269.345 0.519 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000564645303 291290293 /nfs/dbraw/zinc/29/02/93/291290293.db2.gz UUWAZLCYXRAFAU-UHFFFAOYSA-N 2 2 278.356 0.206 20 0 CCADLP C[NH+](C)C1(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000612307272 363880867 /nfs/dbraw/zinc/88/08/67/363880867.db2.gz GWKWPGAXFJOBEA-GFCCVEGCSA-N 2 2 267.373 0.014 20 0 CCADLP O=C(N[C@H]1CC12CC[NH2+]CC2)N1CCn2c[nH+]cc2C1 ZINC000612988259 364073042 /nfs/dbraw/zinc/07/30/42/364073042.db2.gz PNOPGOUAEITWSZ-LBPRGKRZSA-N 2 2 275.356 0.550 20 0 CCADLP C[C@@]1(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC[NH2+]C1 ZINC000612896089 364036224 /nfs/dbraw/zinc/03/62/24/364036224.db2.gz OKPKKDJDMDMEPB-SWLSCSKDSA-N 2 2 289.383 0.712 20 0 CCADLP C[NH+](C)C1(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000612901646 364037868 /nfs/dbraw/zinc/03/78/68/364037868.db2.gz JBQGOBSYDJAFNP-LBPRGKRZSA-N 2 2 274.368 0.871 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612964454 364055951 /nfs/dbraw/zinc/05/59/51/364055951.db2.gz RLOLDUBYGLIZHQ-STQMWFEESA-N 2 2 296.415 0.148 20 0 CCADLP C[C@@H](C(=O)Nc1nccs1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839623 370706038 /nfs/dbraw/zinc/70/60/38/370706038.db2.gz IQCYJKXETWBUNH-KXUCPTDWSA-N 2 2 268.386 0.997 20 0 CCADLP C[C@@H](C(=O)Nc1nccs1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839623 370706043 /nfs/dbraw/zinc/70/60/43/370706043.db2.gz IQCYJKXETWBUNH-KXUCPTDWSA-N 2 2 268.386 0.997 20 0 CCADLP FC(F)(F)Cn1cc[nH+]c1CN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631849228 370714304 /nfs/dbraw/zinc/71/43/04/370714304.db2.gz BHIXUEMDURQDJX-IUCAKERBSA-N 2 2 260.263 0.992 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCc1nnnn1-c1ccccc1 ZINC000631860376 370720816 /nfs/dbraw/zinc/72/08/16/370720816.db2.gz XPPDJZVXYXUEIY-VXGBXAGGSA-N 2 2 272.356 0.626 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCc1nnnn1-c1ccccc1 ZINC000631860376 370720824 /nfs/dbraw/zinc/72/08/24/370720824.db2.gz XPPDJZVXYXUEIY-VXGBXAGGSA-N 2 2 272.356 0.626 20 0 CCADLP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631863742 370723145 /nfs/dbraw/zinc/72/31/45/370723145.db2.gz DSBSMKSZKZGXMV-RYUDHWBXSA-N 2 2 271.405 0.336 20 0 CCADLP CC(C)C[C@H](C)N(C)C(=O)C[NH+]1CCC([NH2+]CCO)CC1 ZINC000631863704 370723675 /nfs/dbraw/zinc/72/36/75/370723675.db2.gz BMYIEGASUJQJDR-AWEZNQCLSA-N 2 2 299.459 0.926 20 0 CCADLP FC(F)[C@@H]1CC[N@H+](C[C@@H]2C[NH2+]CCO2)CCO1 ZINC000631866251 370726092 /nfs/dbraw/zinc/72/60/92/370726092.db2.gz VSNPBDNAFPEORP-UWVGGRQHSA-N 2 2 250.289 0.331 20 0 CCADLP FC(F)[C@@H]1CC[N@@H+](C[C@@H]2C[NH2+]CCO2)CCO1 ZINC000631866251 370726094 /nfs/dbraw/zinc/72/60/94/370726094.db2.gz VSNPBDNAFPEORP-UWVGGRQHSA-N 2 2 250.289 0.331 20 0 CCADLP Cc1csc(=O)n1CC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631869599 370729472 /nfs/dbraw/zinc/72/94/72/370729472.db2.gz OIYDRUZXBAMLEU-YPMHNXCESA-N 2 2 267.398 0.950 20 0 CCADLP CN(C(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)C1CC1 ZINC000631887160 370738471 /nfs/dbraw/zinc/73/84/71/370738471.db2.gz MLFHMJHMLGVRTL-AAEUAGOBSA-N 2 2 251.374 0.681 20 0 CCADLP CN(C(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)C1CC1 ZINC000631887160 370738475 /nfs/dbraw/zinc/73/84/75/370738475.db2.gz MLFHMJHMLGVRTL-AAEUAGOBSA-N 2 2 251.374 0.681 20 0 CCADLP CS(=O)(=O)CC1(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)CC1 ZINC000631890923 370739193 /nfs/dbraw/zinc/73/91/93/370739193.db2.gz UVTCUHCAQFRSRG-QWHCGFSZSA-N 2 2 286.441 0.885 20 0 CCADLP CS(=O)(=O)CC1(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)CC1 ZINC000631890923 370739198 /nfs/dbraw/zinc/73/91/98/370739198.db2.gz UVTCUHCAQFRSRG-QWHCGFSZSA-N 2 2 286.441 0.885 20 0 CCADLP CCN(CC)C(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631890944 370739225 /nfs/dbraw/zinc/73/92/25/370739225.db2.gz WOKVWYBKYHMDDI-CHWSQXEVSA-N 2 2 253.390 0.929 20 0 CCADLP CCN(CC)C(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631890944 370739229 /nfs/dbraw/zinc/73/92/29/370739229.db2.gz WOKVWYBKYHMDDI-CHWSQXEVSA-N 2 2 253.390 0.929 20 0 CCADLP C[C@H]1[C@H]([NH+]2CCCC2)CCN1CC[NH+]1CCOCC1 ZINC000347290841 291306803 /nfs/dbraw/zinc/30/68/03/291306803.db2.gz CJFXIPWZFAVKRY-LSDHHAIUSA-N 2 2 267.417 0.877 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)[C@H]3CC[NH2+]C3)cn2c1 ZINC000335675625 212395006 /nfs/dbraw/zinc/39/50/06/212395006.db2.gz OOUNLHAHELUWDE-NSHDSACASA-N 2 2 258.325 0.868 20 0 CCADLP O=C(NCCNc1cc[nH+]cc1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000621678267 366829736 /nfs/dbraw/zinc/82/97/36/366829736.db2.gz NRAQFSBRCDMTIY-NSHDSACASA-N 2 2 285.351 0.560 20 0 CCADLP O=C(NCCNc1cc[nH+]cc1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000621678267 366829742 /nfs/dbraw/zinc/82/97/42/366829742.db2.gz NRAQFSBRCDMTIY-NSHDSACASA-N 2 2 285.351 0.560 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000564924197 291316891 /nfs/dbraw/zinc/31/68/91/291316891.db2.gz JDRSJZGETVTLPU-RRFJBIMHSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCCOc2ccccc2)[C@H](C[NH3+])C1 ZINC000564944069 291322745 /nfs/dbraw/zinc/32/27/45/291322745.db2.gz HGPWLNIBBUVXSW-CQSZACIVSA-N 2 2 291.395 0.947 20 0 CCADLP C[N@H+]1CCN(C(=O)CCCOc2ccccc2)[C@H](C[NH3+])C1 ZINC000564944069 291322748 /nfs/dbraw/zinc/32/27/48/291322748.db2.gz HGPWLNIBBUVXSW-CQSZACIVSA-N 2 2 291.395 0.947 20 0 CCADLP CC(C)c1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc(=O)[nH]1 ZINC000564944273 291322798 /nfs/dbraw/zinc/32/27/98/291322798.db2.gz OUUVAQPSRQGVJC-LBPRGKRZSA-N 2 2 292.383 0.626 20 0 CCADLP CC(C)c1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc(=O)[nH]1 ZINC000564944273 291322799 /nfs/dbraw/zinc/32/27/99/291322799.db2.gz OUUVAQPSRQGVJC-LBPRGKRZSA-N 2 2 292.383 0.626 20 0 CCADLP COC(=O)[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C(C)(C)C ZINC000614697108 364701241 /nfs/dbraw/zinc/70/12/41/364701241.db2.gz WHMHHMDMUYXOKE-CYBMUJFWSA-N 2 2 299.415 0.328 20 0 CCADLP COC(=O)[C@@H]1CN(C[N@H+](C)CCCn2cc[nH+]c2)C(=O)O1 ZINC000496405719 240034174 /nfs/dbraw/zinc/03/41/74/240034174.db2.gz KKIMVMPXMCGQBZ-NSHDSACASA-N 2 2 296.327 0.156 20 0 CCADLP COC(=O)[C@@H]1CN(C[N@@H+](C)CCCn2cc[nH+]c2)C(=O)O1 ZINC000496405719 240034190 /nfs/dbraw/zinc/03/41/90/240034190.db2.gz KKIMVMPXMCGQBZ-NSHDSACASA-N 2 2 296.327 0.156 20 0 CCADLP C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000615262562 364897937 /nfs/dbraw/zinc/89/79/37/364897937.db2.gz BPBRAFJKXNKMJU-QWHCGFSZSA-N 2 2 292.383 0.664 20 0 CCADLP C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000615262562 364897940 /nfs/dbraw/zinc/89/79/40/364897940.db2.gz BPBRAFJKXNKMJU-QWHCGFSZSA-N 2 2 292.383 0.664 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564987364 291331647 /nfs/dbraw/zinc/33/16/47/291331647.db2.gz ZGVWFAGUFPECSB-GOEBONIOSA-N 2 2 297.443 0.993 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564987364 291331649 /nfs/dbraw/zinc/33/16/49/291331649.db2.gz ZGVWFAGUFPECSB-GOEBONIOSA-N 2 2 297.443 0.993 20 0 CCADLP C[NH+](C)CC1CN(C(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000615510841 364987845 /nfs/dbraw/zinc/98/78/45/364987845.db2.gz XYBYCOWAQBKCFJ-UHFFFAOYSA-N 2 2 258.325 0.968 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N1CCC(CC[NH3+])CC1 ZINC000565100098 291344535 /nfs/dbraw/zinc/34/45/35/291344535.db2.gz QVGBIDFJVXWHAW-UHFFFAOYSA-N 2 2 265.361 0.691 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]1(C)CCCO ZINC000565162059 291349636 /nfs/dbraw/zinc/34/96/36/291349636.db2.gz HDDQIYIGYFZTQV-CABCVRRESA-N 2 2 288.432 0.553 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]1(C)CCCO ZINC000565162059 291349638 /nfs/dbraw/zinc/34/96/38/291349638.db2.gz HDDQIYIGYFZTQV-CABCVRRESA-N 2 2 288.432 0.553 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@]1(C)CCCO ZINC000565162059 291349640 /nfs/dbraw/zinc/34/96/40/291349640.db2.gz HDDQIYIGYFZTQV-CABCVRRESA-N 2 2 288.432 0.553 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@]1(C)CCCO ZINC000565162059 291349642 /nfs/dbraw/zinc/34/96/42/291349642.db2.gz HDDQIYIGYFZTQV-CABCVRRESA-N 2 2 288.432 0.553 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)CCO1 ZINC000621784825 366867678 /nfs/dbraw/zinc/86/76/78/366867678.db2.gz VNHMQCKPGYHCKW-MCIONIFRSA-N 2 2 253.390 0.520 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)CCO1 ZINC000621784825 366867682 /nfs/dbraw/zinc/86/76/82/366867682.db2.gz VNHMQCKPGYHCKW-MCIONIFRSA-N 2 2 253.390 0.520 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC(CC2CC2)C1 ZINC000621992516 366973121 /nfs/dbraw/zinc/97/31/21/366973121.db2.gz ZDZHOAOOIFVZGN-AWEZNQCLSA-N 2 2 256.390 0.657 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC(CC2CC2)C1 ZINC000621992516 366973128 /nfs/dbraw/zinc/97/31/28/366973128.db2.gz ZDZHOAOOIFVZGN-AWEZNQCLSA-N 2 2 256.390 0.657 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(F)c[nH]c1=O ZINC000622144296 367057282 /nfs/dbraw/zinc/05/72/82/367057282.db2.gz ZZZIHOJUXUZPAT-UHFFFAOYSA-N 2 2 298.362 0.540 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(F)c[nH]c1=O ZINC000622144296 367057285 /nfs/dbraw/zinc/05/72/85/367057285.db2.gz ZZZIHOJUXUZPAT-UHFFFAOYSA-N 2 2 298.362 0.540 20 0 CCADLP CC[C@@H](Nc1ccccc1)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000566200716 291374573 /nfs/dbraw/zinc/37/45/73/291374573.db2.gz XWCWTZHDYTXZEP-HUUCEWRRSA-N 2 2 290.411 0.978 20 0 CCADLP CC[C@@H](Nc1ccccc1)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000566200716 291374575 /nfs/dbraw/zinc/37/45/75/291374575.db2.gz XWCWTZHDYTXZEP-HUUCEWRRSA-N 2 2 290.411 0.978 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@@]1(C)C[NH3+] ZINC000623179574 367467811 /nfs/dbraw/zinc/46/78/11/367467811.db2.gz UFLYRZRBFTZTSZ-LALPHHSUSA-N 2 2 276.384 0.889 20 0 CCADLP C[C@@H](CC(=O)N[C@H]1Cc2c[nH+]cn2C1)n1cc[nH+]c1 ZINC000623255054 367492043 /nfs/dbraw/zinc/49/20/43/367492043.db2.gz ILYNJXHMQWSUSE-QWRGUYRKSA-N 2 2 259.313 0.772 20 0 CCADLP CC1(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[NH2+]CC1 ZINC000623177013 367466031 /nfs/dbraw/zinc/46/60/31/367466031.db2.gz BUJJWYBARWRQAU-GFCCVEGCSA-N 2 2 276.384 0.951 20 0 CCADLP C[C@@H](CC(=O)N1CC[NH2+]C[C@@](C)(F)C1)n1cc[nH+]c1 ZINC000574167907 334997626 /nfs/dbraw/zinc/99/76/26/334997626.db2.gz XWGGKGQVYJMOFP-WCQYABFASA-N 2 2 268.336 0.994 20 0 CCADLP C[N@H+](CC(=O)N[C@H]1CCn2c[nH+]cc2C1)[C@H]1CCSC1 ZINC000623306645 367529343 /nfs/dbraw/zinc/52/93/43/367529343.db2.gz RJQCVNFUPJEYDA-RYUDHWBXSA-N 2 2 294.424 0.751 20 0 CCADLP C[N@@H+](CC(=O)N[C@H]1CCn2c[nH+]cc2C1)[C@H]1CCSC1 ZINC000623306645 367529348 /nfs/dbraw/zinc/52/93/48/367529348.db2.gz RJQCVNFUPJEYDA-RYUDHWBXSA-N 2 2 294.424 0.751 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1COCC[NH+]1C ZINC000623394729 367553946 /nfs/dbraw/zinc/55/39/46/367553946.db2.gz PPLHQVYOCQERHG-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1COCC[NH+]1C ZINC000623394729 367553949 /nfs/dbraw/zinc/55/39/49/367553949.db2.gz PPLHQVYOCQERHG-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP CC[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623394729 367553952 /nfs/dbraw/zinc/55/39/52/367553952.db2.gz PPLHQVYOCQERHG-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP CC[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623394729 367553954 /nfs/dbraw/zinc/55/39/54/367553954.db2.gz PPLHQVYOCQERHG-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623266335 367504201 /nfs/dbraw/zinc/50/42/01/367504201.db2.gz YJRUWFZFZNBZKY-IJLUTSLNSA-N 2 2 262.357 0.797 20 0 CCADLP Cn1ncc2c1nc[nH+]c2N1CCc2[nH+]ccc(N)c2C1 ZINC000623283687 367512818 /nfs/dbraw/zinc/51/28/18/367512818.db2.gz DNKAHMNFHRFVDM-UHFFFAOYSA-N 2 2 281.323 0.903 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCc2cnc(N)nc2C1 ZINC000623293234 367516033 /nfs/dbraw/zinc/51/60/33/367516033.db2.gz OBDOAFZAJZOTLU-GFCCVEGCSA-N 2 2 261.373 0.732 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCc2cnc(N)nc2C1 ZINC000623293234 367516037 /nfs/dbraw/zinc/51/60/37/367516037.db2.gz OBDOAFZAJZOTLU-GFCCVEGCSA-N 2 2 261.373 0.732 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCc2cnc(N)nc2C1 ZINC000623293234 367516042 /nfs/dbraw/zinc/51/60/42/367516042.db2.gz OBDOAFZAJZOTLU-GFCCVEGCSA-N 2 2 261.373 0.732 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCc2cnc(N)nc2C1 ZINC000623293234 367516046 /nfs/dbraw/zinc/51/60/46/367516046.db2.gz OBDOAFZAJZOTLU-GFCCVEGCSA-N 2 2 261.373 0.732 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCc3cccnc32)CC1 ZINC000684955518 545766288 /nfs/dbraw/zinc/76/62/88/545766288.db2.gz OUYZQJXKUNRWMZ-AWEZNQCLSA-N 2 2 288.395 0.823 20 0 CCADLP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H]([NH3+])c1cscn1 ZINC000566298392 291391708 /nfs/dbraw/zinc/39/17/08/291391708.db2.gz XKSVUGVSXOMPFP-JFGNBEQYSA-N 2 2 280.397 0.838 20 0 CCADLP CC(C)n1cc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cn1 ZINC000623618128 367603815 /nfs/dbraw/zinc/60/38/15/367603815.db2.gz FEIJCMYQKXHUDI-AWEZNQCLSA-N 2 2 293.415 0.893 20 0 CCADLP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]([NH3+])c1cscn1 ZINC000566298392 291391706 /nfs/dbraw/zinc/39/17/06/291391706.db2.gz XKSVUGVSXOMPFP-JFGNBEQYSA-N 2 2 280.397 0.838 20 0 CCADLP CC(C)n1cc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cn1 ZINC000623618128 367603819 /nfs/dbraw/zinc/60/38/19/367603819.db2.gz FEIJCMYQKXHUDI-AWEZNQCLSA-N 2 2 293.415 0.893 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc2n(n1)CCC2 ZINC000623620060 367605530 /nfs/dbraw/zinc/60/55/30/367605530.db2.gz DRXWOCKPLPZOGH-AWEZNQCLSA-N 2 2 291.399 0.259 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cc2n(n1)CCC2 ZINC000623620060 367605538 /nfs/dbraw/zinc/60/55/38/367605538.db2.gz DRXWOCKPLPZOGH-AWEZNQCLSA-N 2 2 291.399 0.259 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C[C@H](C)O1 ZINC000623619316 367605572 /nfs/dbraw/zinc/60/55/72/367605572.db2.gz BBEJWNKLAUSUEZ-CRWXNKLISA-N 2 2 283.416 0.872 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C[C@H](C)O1 ZINC000623619316 367605577 /nfs/dbraw/zinc/60/55/77/367605577.db2.gz BBEJWNKLAUSUEZ-CRWXNKLISA-N 2 2 283.416 0.872 20 0 CCADLP Cn1nccc1[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623547686 367590836 /nfs/dbraw/zinc/59/08/36/367590836.db2.gz YDEFTHINXGVIDW-NEPJUHHUSA-N 2 2 266.389 0.916 20 0 CCADLP Cn1nccc1[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623547686 367590838 /nfs/dbraw/zinc/59/08/38/367590838.db2.gz YDEFTHINXGVIDW-NEPJUHHUSA-N 2 2 266.389 0.916 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000623632507 367609542 /nfs/dbraw/zinc/60/95/42/367609542.db2.gz BDLPENNXWOPENZ-LBPRGKRZSA-N 2 2 279.388 0.951 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000623632507 367609547 /nfs/dbraw/zinc/60/95/47/367609547.db2.gz BDLPENNXWOPENZ-LBPRGKRZSA-N 2 2 279.388 0.951 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000623638837 367613002 /nfs/dbraw/zinc/61/30/02/367613002.db2.gz UFQYIBQAFAFMHG-ZIAGYGMSSA-N 2 2 294.399 0.807 20 0 CCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(CCC[NH3+])CC1 ZINC000566304250 291392415 /nfs/dbraw/zinc/39/24/15/291392415.db2.gz VWXBUHBRFKNRIW-AWEZNQCLSA-N 2 2 282.432 0.354 20 0 CCADLP C[C@H]1CCCCN1C(=O)CN1CC[NH+](CCC[NH3+])CC1 ZINC000566304250 291392417 /nfs/dbraw/zinc/39/24/17/291392417.db2.gz VWXBUHBRFKNRIW-AWEZNQCLSA-N 2 2 282.432 0.354 20 0 CCADLP C[C@@H](CCCCO)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624085939 367749951 /nfs/dbraw/zinc/74/99/51/367749951.db2.gz KJYFRQSPPUURKL-STQMWFEESA-N 2 2 271.405 0.467 20 0 CCADLP C[C@@H](CCCCO)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624085939 367749953 /nfs/dbraw/zinc/74/99/53/367749953.db2.gz KJYFRQSPPUURKL-STQMWFEESA-N 2 2 271.405 0.467 20 0 CCADLP Cn1ncc2c1nc[nH+]c2N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000624257156 367812271 /nfs/dbraw/zinc/81/22/71/367812271.db2.gz WSGHRMLXLPPNSJ-URLYPYJESA-N 2 2 258.329 0.360 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000624334661 367836587 /nfs/dbraw/zinc/83/65/87/367836587.db2.gz FCRVDUHTQCLBQB-XBFCOCLRSA-N 2 2 253.390 0.125 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000624334661 367836592 /nfs/dbraw/zinc/83/65/92/367836592.db2.gz FCRVDUHTQCLBQB-XBFCOCLRSA-N 2 2 253.390 0.125 20 0 CCADLP Cn1c2ccccc2[nH+]c1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000624682242 367955025 /nfs/dbraw/zinc/95/50/25/367955025.db2.gz QLDQBVGMEUUSDN-LLVKDONJSA-N 2 2 260.341 0.474 20 0 CCADLP Cn1c2ccccc2[nH+]c1NCC[N@H+]1CC[C@@H](O)C1 ZINC000624682242 367955028 /nfs/dbraw/zinc/95/50/28/367955028.db2.gz QLDQBVGMEUUSDN-LLVKDONJSA-N 2 2 260.341 0.474 20 0 CCADLP CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@@H]2COCC[NH+]2C)C[C@H]1C ZINC000624734413 367972610 /nfs/dbraw/zinc/97/26/10/367972610.db2.gz RYCFOOPAXDVTFP-HZSPNIEDSA-N 2 2 298.431 0.441 20 0 CCADLP CC[N@H+]1C[C@H](C)N(C(=O)NC[C@@H]2COCC[NH+]2C)C[C@H]1C ZINC000624734413 367972616 /nfs/dbraw/zinc/97/26/16/367972616.db2.gz RYCFOOPAXDVTFP-HZSPNIEDSA-N 2 2 298.431 0.441 20 0 CCADLP CC[NH+]1C[C@H](C)N(C(=O)NC[C@@H]2COCC[N@@H+]2C)C[C@H]1C ZINC000624734413 367972625 /nfs/dbraw/zinc/97/26/25/367972625.db2.gz RYCFOOPAXDVTFP-HZSPNIEDSA-N 2 2 298.431 0.441 20 0 CCADLP CC[NH+]1C[C@H](C)N(C(=O)NC[C@@H]2COCC[N@H+]2C)C[C@H]1C ZINC000624734413 367972631 /nfs/dbraw/zinc/97/26/31/367972631.db2.gz RYCFOOPAXDVTFP-HZSPNIEDSA-N 2 2 298.431 0.441 20 0 CCADLP Cn1cc(CC[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)nn1 ZINC000625142235 368078311 /nfs/dbraw/zinc/07/83/11/368078311.db2.gz WJOGSUWZYPHJGK-CYBMUJFWSA-N 2 2 260.345 0.891 20 0 CCADLP Cn1cc(CC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)nn1 ZINC000625142235 368078316 /nfs/dbraw/zinc/07/83/16/368078316.db2.gz WJOGSUWZYPHJGK-CYBMUJFWSA-N 2 2 260.345 0.891 20 0 CCADLP O=C1NCC[C@H]1CC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625544758 368237433 /nfs/dbraw/zinc/23/74/33/368237433.db2.gz AMMRKMJLTGIUQE-ZDUSSCGKSA-N 2 2 281.400 0.309 20 0 CCADLP C[C@H]1C[N@H+](CCN2CCC([NH+]3CCOCC3)CC2)CCO1 ZINC000625545719 368239735 /nfs/dbraw/zinc/23/97/35/368239735.db2.gz GWCPXEFMTDPOBC-HNNXBMFYSA-N 2 2 297.443 0.504 20 0 CCADLP C[C@H]1C[N@@H+](CCN2CCC([NH+]3CCOCC3)CC2)CCO1 ZINC000625545719 368239739 /nfs/dbraw/zinc/23/97/39/368239739.db2.gz GWCPXEFMTDPOBC-HNNXBMFYSA-N 2 2 297.443 0.504 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCC(N2CCOCC2)CC1 ZINC000625545812 368239913 /nfs/dbraw/zinc/23/99/13/368239913.db2.gz ZFDFGWBCSGIUFL-UHFFFAOYSA-N 2 2 278.400 0.988 20 0 CCADLP Cn1nccc1CC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625546985 368240064 /nfs/dbraw/zinc/24/00/64/368240064.db2.gz WOROJZUTYPZFBM-UHFFFAOYSA-N 2 2 278.400 0.759 20 0 CCADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCc2cn(C)nn2)CC1 ZINC000625441880 368202836 /nfs/dbraw/zinc/20/28/36/368202836.db2.gz DVNIHGFFNQXZLY-ZDUSSCGKSA-N 2 2 293.415 0.543 20 0 CCADLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCc2cn(C)nn2)CC1 ZINC000625441880 368202839 /nfs/dbraw/zinc/20/28/39/368202839.db2.gz DVNIHGFFNQXZLY-ZDUSSCGKSA-N 2 2 293.415 0.543 20 0 CCADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000422945812 299387562 /nfs/dbraw/zinc/38/75/62/299387562.db2.gz NZGMBSFZMOTPAP-WCQYABFASA-N 2 2 297.424 0.949 20 0 CCADLP Cc1noc([C@H]2OCC[C@H]2[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)n1 ZINC000626143729 368456024 /nfs/dbraw/zinc/45/60/24/368456024.db2.gz CYSBSOGKPFXRHX-XQQFMLRXSA-N 2 2 296.371 0.253 20 0 CCADLP Cc1noc([C@H]2OCC[C@H]2[NH2+]C[C@H](O)C[N@H+](C)C2CC2)n1 ZINC000626143729 368456029 /nfs/dbraw/zinc/45/60/29/368456029.db2.gz CYSBSOGKPFXRHX-XQQFMLRXSA-N 2 2 296.371 0.253 20 0 CCADLP CC(=O)NC[C@H]1CCCC[N@H+]1CCc1c[nH+]cn1C ZINC000626159388 368466821 /nfs/dbraw/zinc/46/68/21/368466821.db2.gz MBHKFKYARDRJQU-CQSZACIVSA-N 2 2 264.373 0.953 20 0 CCADLP CC(=O)NC[C@H]1CCCC[N@@H+]1CCc1c[nH+]cn1C ZINC000626159388 368466825 /nfs/dbraw/zinc/46/68/25/368466825.db2.gz MBHKFKYARDRJQU-CQSZACIVSA-N 2 2 264.373 0.953 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1CNC(C)=O ZINC000626159994 368467115 /nfs/dbraw/zinc/46/71/15/368467115.db2.gz YJSOVFKKUOELBA-ZIAGYGMSSA-N 2 2 271.405 0.290 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1CNC(C)=O ZINC000626159994 368467123 /nfs/dbraw/zinc/46/71/23/368467123.db2.gz YJSOVFKKUOELBA-ZIAGYGMSSA-N 2 2 271.405 0.290 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1CNC(C)=O ZINC000626159994 368467129 /nfs/dbraw/zinc/46/71/29/368467129.db2.gz YJSOVFKKUOELBA-ZIAGYGMSSA-N 2 2 271.405 0.290 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@@H]1CNC(C)=O ZINC000626159994 368467135 /nfs/dbraw/zinc/46/71/35/368467135.db2.gz YJSOVFKKUOELBA-ZIAGYGMSSA-N 2 2 271.405 0.290 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000626970579 368703756 /nfs/dbraw/zinc/70/37/56/368703756.db2.gz PTOWTJDPYDUJQS-ZOBORPQBSA-N 2 2 298.431 0.535 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC1([NH3+])CCOCC1 ZINC000626939583 368689228 /nfs/dbraw/zinc/68/92/28/368689228.db2.gz JTCYZPCWICNXLV-LLVKDONJSA-N 2 2 281.360 0.079 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)N(C)CCOCC[NH3+])c2[nH+]ccn21 ZINC000627052674 368758948 /nfs/dbraw/zinc/75/89/48/368758948.db2.gz RUKLOSHPQMTFRS-WDEREUQCSA-N 2 2 281.360 0.506 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)NCCOCCC[NH3+] ZINC000627043016 368752484 /nfs/dbraw/zinc/75/24/84/368752484.db2.gz LWXLDBZRJSEAAL-UHFFFAOYSA-N 2 2 282.344 0.255 20 0 CCADLP Cc1cc(NCCNC(=O)NC[C@H](C)[NH3+])nc(C(C)C)[nH+]1 ZINC000627088393 368787905 /nfs/dbraw/zinc/78/79/05/368787905.db2.gz GTUUZVSYSXEHND-JTQLQIEISA-N 2 2 294.403 0.389 20 0 CCADLP C[C@H]1CC[C@@H](NC(=O)N(C)Cc2[nH+]ccn2C)C[NH2+]1 ZINC000627203373 368871551 /nfs/dbraw/zinc/87/15/51/368871551.db2.gz WHEDAAZAAMVQCZ-WDEREUQCSA-N 2 2 265.361 0.702 20 0 CCADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627183491 368851476 /nfs/dbraw/zinc/85/14/76/368851476.db2.gz LCQIBYVFXJHGCP-STQMWFEESA-N 2 2 286.420 0.332 20 0 CCADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000627183491 368851482 /nfs/dbraw/zinc/85/14/82/368851482.db2.gz LCQIBYVFXJHGCP-STQMWFEESA-N 2 2 286.420 0.332 20 0 CCADLP CCC[C@H]1C[NH2+]CCN1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627182824 368851640 /nfs/dbraw/zinc/85/16/40/368851640.db2.gz DACSQYQJXSHTEQ-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP CCC[C@H]1C[NH2+]CCN1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627182824 368851647 /nfs/dbraw/zinc/85/16/47/368851647.db2.gz DACSQYQJXSHTEQ-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000627183423 368851730 /nfs/dbraw/zinc/85/17/30/368851730.db2.gz JVPVPAHKAIGHPH-RWMBFGLXSA-N 2 2 284.404 0.086 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000627183423 368851736 /nfs/dbraw/zinc/85/17/36/368851736.db2.gz JVPVPAHKAIGHPH-RWMBFGLXSA-N 2 2 284.404 0.086 20 0 CCADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627183488 368851969 /nfs/dbraw/zinc/85/19/69/368851969.db2.gz LCQIBYVFXJHGCP-OLZOCXBDSA-N 2 2 286.420 0.332 20 0 CCADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627183488 368851975 /nfs/dbraw/zinc/85/19/75/368851975.db2.gz LCQIBYVFXJHGCP-OLZOCXBDSA-N 2 2 286.420 0.332 20 0 CCADLP C[N@H+](CC(=O)N1CCc2[nH]c[nH+]c2C1)[C@@H]1CCSC1 ZINC000627369868 368969937 /nfs/dbraw/zinc/96/99/37/368969937.db2.gz GLRSEEVFMHLSKI-SNVBAGLBSA-N 2 2 280.397 0.732 20 0 CCADLP C[N@@H+](CC(=O)N1CCc2[nH]c[nH+]c2C1)[C@@H]1CCSC1 ZINC000627369868 368969943 /nfs/dbraw/zinc/96/99/43/368969943.db2.gz GLRSEEVFMHLSKI-SNVBAGLBSA-N 2 2 280.397 0.732 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1C[C@H]3CC[N@@H+](C)[C@H]3C1)CC2 ZINC000627632820 369058961 /nfs/dbraw/zinc/05/89/61/369058961.db2.gz XXRQVMPODVBHKS-MCIONIFRSA-N 2 2 288.395 0.916 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1C[C@H]3CC[N@H+](C)[C@H]3C1)CC2 ZINC000627632820 369058969 /nfs/dbraw/zinc/05/89/69/369058969.db2.gz XXRQVMPODVBHKS-MCIONIFRSA-N 2 2 288.395 0.916 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[NH+](CCCF)CC1 ZINC000627961163 369149298 /nfs/dbraw/zinc/14/92/98/369149298.db2.gz IYPSDOMSAPLWEI-UHFFFAOYSA-N 2 2 268.336 0.764 20 0 CCADLP Cc1ncc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)o1 ZINC000628214290 369213989 /nfs/dbraw/zinc/21/39/89/369213989.db2.gz RRGBBTVIPPXLEU-LBPRGKRZSA-N 2 2 280.372 0.660 20 0 CCADLP Cc1ncc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)o1 ZINC000628214290 369213994 /nfs/dbraw/zinc/21/39/94/369213994.db2.gz RRGBBTVIPPXLEU-LBPRGKRZSA-N 2 2 280.372 0.660 20 0 CCADLP Cc1nc(C)c(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)o1 ZINC000628214067 369214444 /nfs/dbraw/zinc/21/44/44/369214444.db2.gz JJCXVOVHXFAURG-ZDUSSCGKSA-N 2 2 294.399 0.968 20 0 CCADLP Cc1nc(C)c(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)o1 ZINC000628214067 369214448 /nfs/dbraw/zinc/21/44/48/369214448.db2.gz JJCXVOVHXFAURG-ZDUSSCGKSA-N 2 2 294.399 0.968 20 0 CCADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C(N)=O)no2)CC1(C)C ZINC000628238157 369221564 /nfs/dbraw/zinc/22/15/64/369221564.db2.gz MYLURQHNWSENTM-SECBINFHSA-N 2 2 266.345 0.736 20 0 CCADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cc(C(N)=O)no2)CC1(C)C ZINC000628238157 369221567 /nfs/dbraw/zinc/22/15/67/369221567.db2.gz MYLURQHNWSENTM-SECBINFHSA-N 2 2 266.345 0.736 20 0 CCADLP C[N@@H+]1CCCC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000628746581 369374229 /nfs/dbraw/zinc/37/42/29/369374229.db2.gz DVIWKADILXKFKK-LBPRGKRZSA-N 2 2 250.346 0.731 20 0 CCADLP C[N@H+]1CCCC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000628746581 369374238 /nfs/dbraw/zinc/37/42/38/369374238.db2.gz DVIWKADILXKFKK-LBPRGKRZSA-N 2 2 250.346 0.731 20 0 CCADLP Cc1ncc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)c(C)n1 ZINC000330876961 203342046 /nfs/dbraw/zinc/34/20/46/203342046.db2.gz KDFLMAGYRBNIOC-IINYFYTJSA-N 2 2 264.373 0.811 20 0 CCADLP Cc1ncc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c(C)n1 ZINC000330876961 203342049 /nfs/dbraw/zinc/34/20/49/203342049.db2.gz KDFLMAGYRBNIOC-IINYFYTJSA-N 2 2 264.373 0.811 20 0 CCADLP C[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)C[NH+]1CCOCC1 ZINC000629564421 369710182 /nfs/dbraw/zinc/71/01/82/369710182.db2.gz JXKVNEDBHNKNSL-HUUCEWRRSA-N 3 2 285.432 0.001 20 0 CCADLP C[C@H](CNC[C@@H](O)C[NH+]1CCCC1)C[NH+]1CCOCC1 ZINC000629564421 369710188 /nfs/dbraw/zinc/71/01/88/369710188.db2.gz JXKVNEDBHNKNSL-HUUCEWRRSA-N 2 2 285.432 0.001 20 0 CCADLP COc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c(OC)n1 ZINC000629579856 369722761 /nfs/dbraw/zinc/72/27/61/369722761.db2.gz KPIVCAAANJIVGN-ZDUSSCGKSA-N 2 2 295.383 0.645 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CCn2cc[nH+]c2C1)C[NH+]1CCCC1 ZINC000629577766 369720720 /nfs/dbraw/zinc/72/07/20/369720720.db2.gz UFXYAKHOZZYPOM-CHWSQXEVSA-N 3 2 264.373 0.244 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000629516112 369689002 /nfs/dbraw/zinc/68/90/02/369689002.db2.gz YBUYZPPREQDDIT-BARDWOONSA-N 3 2 294.443 0.304 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000629516112 369689004 /nfs/dbraw/zinc/68/90/04/369689004.db2.gz YBUYZPPREQDDIT-BARDWOONSA-N 3 2 294.443 0.304 20 0 CCADLP CC(C)(C)CNC(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000629518933 369689256 /nfs/dbraw/zinc/68/92/56/369689256.db2.gz NBQXVINUVJFWFF-CQSZACIVSA-N 2 2 253.390 0.834 20 0 CCADLP CC(C)(C)CNC(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000629518933 369689260 /nfs/dbraw/zinc/68/92/60/369689260.db2.gz NBQXVINUVJFWFF-CQSZACIVSA-N 2 2 253.390 0.834 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+]CC2([NH3+])CCOCC2)[C@H](C)C1 ZINC000629522424 369690415 /nfs/dbraw/zinc/69/04/15/369690415.db2.gz ZUCWVJQZCROMBT-OLZOCXBDSA-N 3 2 255.406 0.814 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+]CC2([NH3+])CCOCC2)[C@H](C)C1 ZINC000629522424 369690418 /nfs/dbraw/zinc/69/04/18/369690418.db2.gz ZUCWVJQZCROMBT-OLZOCXBDSA-N 3 2 255.406 0.814 20 0 CCADLP COc1cncc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)n1 ZINC000629535203 369694976 /nfs/dbraw/zinc/69/49/76/369694976.db2.gz CLLBLNWDOVWWTO-GHMZBOCLSA-N 2 2 250.346 0.902 20 0 CCADLP COc1cncc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)n1 ZINC000629535203 369694979 /nfs/dbraw/zinc/69/49/79/369694979.db2.gz CLLBLNWDOVWWTO-GHMZBOCLSA-N 2 2 250.346 0.902 20 0 CCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)c1ccccn1 ZINC000629534972 369695020 /nfs/dbraw/zinc/69/50/20/369695020.db2.gz BFXYGEOWIRZOQE-VXGBXAGGSA-N 2 2 283.397 0.715 20 0 CCADLP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629556027 369705152 /nfs/dbraw/zinc/70/51/52/369705152.db2.gz BXRXZLAZKSGOGB-CQSZACIVSA-N 3 2 266.389 0.628 20 0 CCADLP O=C1[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CCN1C1CCC1 ZINC000629618044 369742601 /nfs/dbraw/zinc/74/26/01/369742601.db2.gz SIBQKDUVHQJIPI-ZIAGYGMSSA-N 2 2 281.400 0.186 20 0 CCADLP CCc1ncc(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)s1 ZINC000629653058 369748264 /nfs/dbraw/zinc/74/82/64/369748264.db2.gz LRUURZCNUCLICV-UHFFFAOYSA-N 2 2 279.369 0.950 20 0 CCADLP c1nnc2ccc(N3CC[C@H]([NH2+][C@@H]4CCC[NH2+]C4)C3)nn12 ZINC000629655637 369749777 /nfs/dbraw/zinc/74/97/77/369749777.db2.gz WZMRLRQRKKKHLZ-NEPJUHHUSA-N 2 2 287.371 0.045 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000276546290 193375225 /nfs/dbraw/zinc/37/52/25/193375225.db2.gz GXMCVDDEEWPPPF-ZIYVKSGCSA-N 2 2 290.367 0.604 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH+]1CCSCC1 ZINC000567413095 291482568 /nfs/dbraw/zinc/48/25/68/291482568.db2.gz GIFPXMCZBWTQHS-UHFFFAOYSA-N 2 2 254.359 0.048 20 0 CCADLP CO[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)[C@](C)(C[NH3+])C1 ZINC000630374263 370075039 /nfs/dbraw/zinc/07/50/39/370075039.db2.gz HRIGZEYOCHTLHE-GWCFXTLKSA-N 2 2 266.345 0.225 20 0 CCADLP CC(=O)Nc1cccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000631113177 370388745 /nfs/dbraw/zinc/38/87/45/370388745.db2.gz UAARTOKNUJBZMP-OAHLLOKOSA-N 2 2 277.368 0.801 20 0 CCADLP CC(=O)Nc1cccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1 ZINC000631113177 370388750 /nfs/dbraw/zinc/38/87/50/370388750.db2.gz UAARTOKNUJBZMP-OAHLLOKOSA-N 2 2 277.368 0.801 20 0 CCADLP Cc1ccc(CNc2nc(C)[nH+]c(N)n2)c(N2CCCC2)[nH+]1 ZINC000631202533 370419483 /nfs/dbraw/zinc/41/94/83/370419483.db2.gz VUKKPTWNVGNTNP-UHFFFAOYSA-N 2 2 299.382 0.930 20 0 CCADLP Cc1nc(N2CCC[C@H]([NH+](C)C)CC2)nc(N)[nH+]1 ZINC000631246421 370437165 /nfs/dbraw/zinc/43/71/65/370437165.db2.gz CGHAGGRRMARTKI-JTQLQIEISA-N 2 2 250.350 0.513 20 0 CCADLP Cc1nc(N)nc(N2CCC[C@H]([NH+](C)C)CC2)[nH+]1 ZINC000631246421 370437168 /nfs/dbraw/zinc/43/71/68/370437168.db2.gz CGHAGGRRMARTKI-JTQLQIEISA-N 2 2 250.350 0.513 20 0 CCADLP Cc1nc(N2CCC(C)([NH+]3CCOCC3)CC2)nc(N)[nH+]1 ZINC000631389367 370512216 /nfs/dbraw/zinc/51/22/16/370512216.db2.gz QXUJDMXDTJXQOT-UHFFFAOYSA-N 2 2 292.387 0.284 20 0 CCADLP COC(=O)[C@@]1(C)CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000412076620 284229215 /nfs/dbraw/zinc/22/92/15/284229215.db2.gz SOWJSHNQQDDCPF-ZFWWWQNUSA-N 2 2 284.400 0.717 20 0 CCADLP COC(=O)[C@@]1(C)CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000412076620 284229218 /nfs/dbraw/zinc/22/92/18/284229218.db2.gz SOWJSHNQQDDCPF-ZFWWWQNUSA-N 2 2 284.400 0.717 20 0 CCADLP COC(=O)[C@@]1(C)CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000412076620 284229223 /nfs/dbraw/zinc/22/92/23/284229223.db2.gz SOWJSHNQQDDCPF-ZFWWWQNUSA-N 2 2 284.400 0.717 20 0 CCADLP COC(=O)[C@@]1(C)CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000412076620 284229226 /nfs/dbraw/zinc/22/92/26/284229226.db2.gz SOWJSHNQQDDCPF-ZFWWWQNUSA-N 2 2 284.400 0.717 20 0 CCADLP C[C@H]1[NH2+]CC[C@H]1C(=O)NCCCNc1cccc[nH+]1 ZINC000567795220 291514715 /nfs/dbraw/zinc/51/47/15/291514715.db2.gz DJUZNPCVYRGVES-VXGBXAGGSA-N 2 2 262.357 0.998 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633087462 371391042 /nfs/dbraw/zinc/39/10/42/371391042.db2.gz KZAWTMGKXTYDTM-UHFFFAOYSA-N 2 2 262.317 0.756 20 0 CCADLP CC1(C)C[NH+](CC(=O)NC[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000633480965 371565774 /nfs/dbraw/zinc/56/57/74/371565774.db2.gz KXKWEPJLMLBQNY-CYBMUJFWSA-N 2 2 283.416 0.291 20 0 CCADLP C[C@@H]1C[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)[C@H](C)O1 ZINC000633616069 371631669 /nfs/dbraw/zinc/63/16/69/371631669.db2.gz DGYHHOXIYCHJAU-RDBSUJKOSA-N 2 2 285.432 0.800 20 0 CCADLP C[C@@H]1C[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)[C@H](C)O1 ZINC000633616069 371631670 /nfs/dbraw/zinc/63/16/70/371631670.db2.gz DGYHHOXIYCHJAU-RDBSUJKOSA-N 2 2 285.432 0.800 20 0 CCADLP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)CCn1cc[nH+]c1)C2 ZINC000634744683 372191726 /nfs/dbraw/zinc/19/17/26/372191726.db2.gz HDPRIJWQABDDTR-OKILXGFUSA-N 2 2 262.357 0.731 20 0 CCADLP Nc1nc(-n2cccn2)cc(N2CCC[C@H]([NH3+])C2)[nH+]1 ZINC000634807524 372247614 /nfs/dbraw/zinc/24/76/14/372247614.db2.gz QNWVVXFONVEPMH-VIFPVBQESA-N 2 2 259.317 0.002 20 0 CCADLP Cn1ncc2c1nc(N)[nH+]c2N1CCC[C@H](CC[NH3+])C1 ZINC000634808136 372249409 /nfs/dbraw/zinc/24/94/09/372249409.db2.gz JWROMSOSVMILPA-SECBINFHSA-N 2 2 275.360 0.341 20 0 CCADLP C[C@@H](O)[C@@H]1CCN(c2cc(NC[C@H](C)[NH3+])nc[nH+]2)C1 ZINC000634808766 372250194 /nfs/dbraw/zinc/25/01/94/372250194.db2.gz BMPTXIFIKMRXHW-HBNTYKKESA-N 2 2 265.361 0.443 20 0 CCADLP Cn1ncc2c1nc(N)[nH+]c2N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000634809215 372252576 /nfs/dbraw/zinc/25/25/76/372252576.db2.gz MWJOMTYBOAPCSX-AWEZNQCLSA-N 2 2 287.371 0.356 20 0 CCADLP [NH3+][C@@H]1CN(c2nc[nH+]c3c2OCCN3)CC[C@H]1F ZINC000634812537 372256765 /nfs/dbraw/zinc/25/67/65/372256765.db2.gz KSIBERSVRIOZBR-HTQZYQBOSA-N 2 2 253.281 0.156 20 0 CCADLP O=C1CC[C@@H]([NH2+][C@H]2CCC[N@@H+](CCCO)C2)CCN1 ZINC000634982713 372322603 /nfs/dbraw/zinc/32/26/03/372322603.db2.gz SMOZRYWXGXGZIR-OLZOCXBDSA-N 2 2 269.389 0.092 20 0 CCADLP O=C1CC[C@@H]([NH2+][C@H]2CCC[N@H+](CCCO)C2)CCN1 ZINC000634982713 372322606 /nfs/dbraw/zinc/32/26/06/372322606.db2.gz SMOZRYWXGXGZIR-OLZOCXBDSA-N 2 2 269.389 0.092 20 0 CCADLP OCC[NH2+]C1CCN(Cc2c[nH+]c3ccccn23)CC1 ZINC000635001139 372338822 /nfs/dbraw/zinc/33/88/22/372338822.db2.gz HYLMRXYOOMPFAZ-UHFFFAOYSA-N 2 2 274.368 0.881 20 0 CCADLP CCc1c[nH]c(CC(=O)N(CCOC)CC[NH+](C)C)[nH+]1 ZINC000635503429 372566854 /nfs/dbraw/zinc/56/68/54/372566854.db2.gz FOSKGUXIBCXZAJ-UHFFFAOYSA-N 2 2 282.388 0.551 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635559691 372632354 /nfs/dbraw/zinc/63/23/54/372632354.db2.gz VANULFKMTBZXFL-GMTAPVOTSA-N 2 2 250.346 0.970 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635559691 372632360 /nfs/dbraw/zinc/63/23/60/372632360.db2.gz VANULFKMTBZXFL-GMTAPVOTSA-N 2 2 250.346 0.970 20 0 CCADLP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000635617935 372691111 /nfs/dbraw/zinc/69/11/11/372691111.db2.gz IXGZHMDASKVRRO-GJZGRUSLSA-N 2 2 295.427 0.651 20 0 CCADLP C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000635617935 372691114 /nfs/dbraw/zinc/69/11/14/372691114.db2.gz IXGZHMDASKVRRO-GJZGRUSLSA-N 2 2 295.427 0.651 20 0 CCADLP C[C@H](C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[NH+](C)C ZINC000635731947 372827498 /nfs/dbraw/zinc/82/74/98/372827498.db2.gz UBZOPYNHWUDVMX-VXGBXAGGSA-N 2 2 262.357 0.727 20 0 CCADLP C[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635768992 372884571 /nfs/dbraw/zinc/88/45/71/372884571.db2.gz BUALGBUMDDSXQD-VXGBXAGGSA-N 2 2 260.341 0.891 20 0 CCADLP C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635768992 372884579 /nfs/dbraw/zinc/88/45/79/372884579.db2.gz BUALGBUMDDSXQD-VXGBXAGGSA-N 2 2 260.341 0.891 20 0 CCADLP C[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000635768992 372884585 /nfs/dbraw/zinc/88/45/85/372884585.db2.gz BUALGBUMDDSXQD-VXGBXAGGSA-N 2 2 260.341 0.891 20 0 CCADLP C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000635768992 372884593 /nfs/dbraw/zinc/88/45/93/372884593.db2.gz BUALGBUMDDSXQD-VXGBXAGGSA-N 2 2 260.341 0.891 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000333357423 205249698 /nfs/dbraw/zinc/24/96/98/205249698.db2.gz KOHRGJSERQEDIW-STQMWFEESA-N 2 2 298.431 0.394 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000333357423 205249703 /nfs/dbraw/zinc/24/97/03/205249703.db2.gz KOHRGJSERQEDIW-STQMWFEESA-N 2 2 298.431 0.394 20 0 CCADLP C[C@@H](NC(=O)N[C@H]1CCC[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000333366398 205259059 /nfs/dbraw/zinc/25/90/59/205259059.db2.gz LVMDBPAHWJZTLD-AGIUHOORSA-N 2 2 284.404 0.147 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000635918420 373104436 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CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637259424 374054100 /nfs/dbraw/zinc/05/41/00/374054100.db2.gz DJGZBVJAZNQBGL-VXGBXAGGSA-N 2 2 291.399 0.980 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637259424 374054104 /nfs/dbraw/zinc/05/41/04/374054104.db2.gz DJGZBVJAZNQBGL-VXGBXAGGSA-N 2 2 291.399 0.980 20 0 CCADLP CCN(C(=O)NCCn1cc[nH+]c1)[C@@H]1CC[N@H+](C)C1 ZINC000656540459 412819555 /nfs/dbraw/zinc/81/95/55/412819555.db2.gz JHJHSRUBWAOLCD-GFCCVEGCSA-N 2 2 265.361 0.619 20 0 CCADLP CCN(C(=O)NCCn1cc[nH+]c1)[C@@H]1CC[N@@H+](C)C1 ZINC000656540459 412819557 /nfs/dbraw/zinc/81/95/57/412819557.db2.gz JHJHSRUBWAOLCD-GFCCVEGCSA-N 2 2 265.361 0.619 20 0 CCADLP CC(C)C[C@H](C(=O)NCCN1CC[NH2+]CC1)n1cc[nH+]c1 ZINC000637812095 374344752 /nfs/dbraw/zinc/34/47/52/374344752.db2.gz WFTRKRXRHKVPCY-CQSZACIVSA-N 2 2 293.415 0.492 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000637819986 374356183 /nfs/dbraw/zinc/35/61/83/374356183.db2.gz LEKZMBPXSYJZBS-MWLCHTKSSA-N 2 2 250.346 0.765 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000637819986 374356195 /nfs/dbraw/zinc/35/61/95/374356195.db2.gz LEKZMBPXSYJZBS-MWLCHTKSSA-N 2 2 250.346 0.765 20 0 CCADLP Cc1csc(=O)n1CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000334144417 206068937 /nfs/dbraw/zinc/06/89/37/206068937.db2.gz YCLIBQBTQJANHC-RYUDHWBXSA-N 2 2 267.398 0.760 20 0 CCADLP Cc1csc(=O)n1CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000334144417 206068941 /nfs/dbraw/zinc/06/89/41/206068941.db2.gz YCLIBQBTQJANHC-RYUDHWBXSA-N 2 2 267.398 0.760 20 0 CCADLP Cc1cn2ccc(C(=O)N3CCN(C)C[C@@H]3C[NH3+])cc2[nH+]1 ZINC000637867790 374435060 /nfs/dbraw/zinc/43/50/60/374435060.db2.gz XMVAUJFIXFDELX-ZDUSSCGKSA-N 2 2 287.367 0.358 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ccco1 ZINC000656544398 412822161 /nfs/dbraw/zinc/82/21/61/412822161.db2.gz ZJFKXOJESKZHLP-UHFFFAOYSA-N 2 2 282.388 0.962 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ccco1 ZINC000656544398 412822164 /nfs/dbraw/zinc/82/21/64/412822164.db2.gz ZJFKXOJESKZHLP-UHFFFAOYSA-N 2 2 282.388 0.962 20 0 CCADLP CC(C)(C)[N@@H+]1CCCN(Cc2c[nH+]c(N)nc2N)CC1 ZINC000637987625 374531119 /nfs/dbraw/zinc/53/11/19/374531119.db2.gz QXXGYZIXIAMNQQ-UHFFFAOYSA-N 2 2 278.404 0.608 20 0 CCADLP CC(C)(C)[N@H+]1CCCN(Cc2c[nH+]c(N)nc2N)CC1 ZINC000637987625 374531124 /nfs/dbraw/zinc/53/11/24/374531124.db2.gz QXXGYZIXIAMNQQ-UHFFFAOYSA-N 2 2 278.404 0.608 20 0 CCADLP CC(C)[NH2+]C1CCN(Cc2c[nH+]c(N)nc2N)CC1 ZINC000638002289 374547530 /nfs/dbraw/zinc/54/75/30/374547530.db2.gz XRBJGTFVTLYNOJ-UHFFFAOYSA-N 2 2 264.377 0.264 20 0 CCADLP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000638053731 374596133 /nfs/dbraw/zinc/59/61/33/374596133.db2.gz ALJPJXLQTITTNM-OLZOCXBDSA-N 2 2 295.408 0.509 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@@H]([NH3+])CCC(C)C)CC1 ZINC000638057307 374601860 /nfs/dbraw/zinc/60/18/60/374601860.db2.gz APIIQBGQSOITCU-AWEZNQCLSA-N 2 2 285.432 0.931 20 0 CCADLP C[C@@]1(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C[NH2+]CCO1 ZINC000638075129 374631511 /nfs/dbraw/zinc/63/15/11/374631511.db2.gz CDEQEVMGVGXDML-FZMZJTMJSA-N 2 2 278.356 0.494 20 0 CCADLP Cc1ccn2cc(CNC(=O)[C@@H]3OCC[C@@H]3[NH3+])[nH+]c2c1 ZINC000638077035 374632965 /nfs/dbraw/zinc/63/29/65/374632965.db2.gz PCTVWQPVDHVADO-WCQYABFASA-N 2 2 274.324 0.375 20 0 CCADLP CN(C)c1ccc(CNC(=O)C2=CC[C@@H]([NH3+])C2)c[nH+]1 ZINC000638067109 374611505 /nfs/dbraw/zinc/61/15/05/374611505.db2.gz AEGLLGUCOSORSN-GFCCVEGCSA-N 2 2 260.341 0.811 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000638074704 374628196 /nfs/dbraw/zinc/62/81/96/374628196.db2.gz AEBDPFAUYMFWGF-ZDUSSCGKSA-N 2 2 297.424 0.718 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000638074704 374628202 /nfs/dbraw/zinc/62/82/02/374628202.db2.gz AEBDPFAUYMFWGF-ZDUSSCGKSA-N 2 2 297.424 0.718 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000638113445 374680332 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CCc1c[nH]c(CC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)[nH+]1 ZINC000638339785 374940985 /nfs/dbraw/zinc/94/09/85/374940985.db2.gz DLNOCKSPELQDJZ-GHMZBOCLSA-N 2 2 264.373 0.958 20 0 CCADLP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cnc(N)nc2N)C1 ZINC000638370830 374966524 /nfs/dbraw/zinc/96/65/24/374966524.db2.gz MWTFFMBURHKGHA-RYUDHWBXSA-N 2 2 292.431 0.759 20 0 CCADLP CO[C@H]1C[NH2+][C@](C)(C(=O)N(C)CCCn2cc[nH+]c2)C1 ZINC000638301976 374907999 /nfs/dbraw/zinc/90/79/99/374907999.db2.gz RAMOGYKGHKRRKK-OCCSQVGLSA-N 2 2 280.372 0.499 20 0 CCADLP CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C[NH3+] ZINC000638392043 374985667 /nfs/dbraw/zinc/98/56/67/374985667.db2.gz WEZPVZJDWKHLSO-PRULPYPASA-N 2 2 278.356 0.335 20 0 CCADLP CCO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C[NH3+] ZINC000638392043 374985672 /nfs/dbraw/zinc/98/56/72/374985672.db2.gz WEZPVZJDWKHLSO-PRULPYPASA-N 2 2 278.356 0.335 20 0 CCADLP CC[NH2+][C@H](C)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638394734 374988382 /nfs/dbraw/zinc/98/83/82/374988382.db2.gz HLGMRCIRUJJDJK-WUHRBBMRSA-N 2 2 271.405 0.598 20 0 CCADLP CC[NH2+][C@H](C)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638394734 374988385 /nfs/dbraw/zinc/98/83/85/374988385.db2.gz HLGMRCIRUJJDJK-WUHRBBMRSA-N 2 2 271.405 0.598 20 0 CCADLP CC[NH2+][C@H](C)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000638406278 375002838 /nfs/dbraw/zinc/00/28/38/375002838.db2.gz KDNBGGNUNXAIEJ-QJPTWQEYSA-N 2 2 257.378 0.210 20 0 CCADLP CC[NH2+][C@H](C)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000638406278 375002845 /nfs/dbraw/zinc/00/28/45/375002845.db2.gz KDNBGGNUNXAIEJ-QJPTWQEYSA-N 2 2 257.378 0.210 20 0 CCADLP Nc1c(F)cccc1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000638412044 375008049 /nfs/dbraw/zinc/00/80/49/375008049.db2.gz MSWTXFMQAIWJCR-LBPRGKRZSA-N 2 2 267.348 0.954 20 0 CCADLP C[C@@H](NC(=O)[C@]1(C[NH3+])CCCOC1)c1[nH+]ccn1C ZINC000638428898 375026648 /nfs/dbraw/zinc/02/66/48/375026648.db2.gz DGGAHPMWHOGONY-MFKMUULPSA-N 2 2 266.345 0.353 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCNC(=O)C1 ZINC000638509659 375099846 /nfs/dbraw/zinc/09/98/46/375099846.db2.gz NWTIPQGYONKTMQ-QWHCGFSZSA-N 2 2 269.389 0.356 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCNC(=O)C1 ZINC000638509659 375099847 /nfs/dbraw/zinc/09/98/47/375099847.db2.gz NWTIPQGYONKTMQ-QWHCGFSZSA-N 2 2 269.389 0.356 20 0 CCADLP C[NH2+]CCC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000638582927 375162844 /nfs/dbraw/zinc/16/28/44/375162844.db2.gz DASSCZCYSATTHU-UHFFFAOYSA-N 2 2 279.388 0.468 20 0 CCADLP CC[C@H]([NH3+])C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000638584284 375164119 /nfs/dbraw/zinc/16/41/19/375164119.db2.gz SGDKFSDRYNRTCG-NSHDSACASA-N 2 2 279.388 0.596 20 0 CCADLP Cc1cc(NCCNC(=O)[C@H]2CCC[NH2+]2)nc(C(C)C)[nH+]1 ZINC000638584578 375164638 /nfs/dbraw/zinc/16/46/38/375164638.db2.gz UATJLMHRSRCKMJ-GFCCVEGCSA-N 2 2 291.399 0.610 20 0 CCADLP C[NH2+]CCOCCN(C)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000638590548 375170071 /nfs/dbraw/zinc/17/00/71/375170071.db2.gz KOTWWBGZCJTEJU-UHFFFAOYSA-N 2 2 290.367 0.571 20 0 CCADLP CO[C@](C)(C[NH2+]C[C@H]1C[N@H+](C)CCN1C)C1CC1 ZINC000638597460 375177622 /nfs/dbraw/zinc/17/76/22/375177622.db2.gz WQWNASQHPOZGCG-UONOGXRCSA-N 2 2 255.406 0.637 20 0 CCADLP CO[C@](C)(C[NH2+]C[C@H]1C[N@@H+](C)CCN1C)C1CC1 ZINC000638597460 375177626 /nfs/dbraw/zinc/17/76/26/375177626.db2.gz WQWNASQHPOZGCG-UONOGXRCSA-N 2 2 255.406 0.637 20 0 CCADLP COc1cc(C[C@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)ccn1 ZINC000638596458 375177917 /nfs/dbraw/zinc/17/79/17/375177917.db2.gz KVDRZGYGQLSLSF-DZGCQCFKSA-N 2 2 292.427 0.857 20 0 CCADLP COc1cc(C[C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)ccn1 ZINC000638596458 375177922 /nfs/dbraw/zinc/17/79/22/375177922.db2.gz KVDRZGYGQLSLSF-DZGCQCFKSA-N 2 2 292.427 0.857 20 0 CCADLP CC[C@H](C)[C@@H](C[NH2+]C[C@H]1C[N@H+](C)CCN1C)OC ZINC000638596938 375178000 /nfs/dbraw/zinc/17/80/00/375178000.db2.gz UOFPUFHWVICSBS-MELADBBJSA-N 2 2 257.422 0.883 20 0 CCADLP CC[C@H](C)[C@@H](C[NH2+]C[C@H]1C[N@@H+](C)CCN1C)OC ZINC000638596938 375178007 /nfs/dbraw/zinc/17/80/07/375178007.db2.gz UOFPUFHWVICSBS-MELADBBJSA-N 2 2 257.422 0.883 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000638609115 375189708 /nfs/dbraw/zinc/18/97/08/375189708.db2.gz DUQXFENSHWKZQS-UKRRQHHQSA-N 2 2 277.368 0.307 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000638609115 375189718 /nfs/dbraw/zinc/18/97/18/375189718.db2.gz DUQXFENSHWKZQS-UKRRQHHQSA-N 2 2 277.368 0.307 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000638608941 375190606 /nfs/dbraw/zinc/19/06/06/375190606.db2.gz DFXUFBQHGDKIAO-GFCCVEGCSA-N 2 2 267.373 0.108 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000638608941 375190613 /nfs/dbraw/zinc/19/06/13/375190613.db2.gz DFXUFBQHGDKIAO-GFCCVEGCSA-N 2 2 267.373 0.108 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000638612637 375196862 /nfs/dbraw/zinc/19/68/62/375196862.db2.gz WJPNTHGSDBPOBQ-OLZOCXBDSA-N 2 2 269.389 0.213 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000638612637 375196868 /nfs/dbraw/zinc/19/68/68/375196868.db2.gz WJPNTHGSDBPOBQ-OLZOCXBDSA-N 2 2 269.389 0.213 20 0 CCADLP CC(C)C[C@H](C(=O)NCCOCCC[NH3+])n1cc[nH+]c1 ZINC000638662541 375266340 /nfs/dbraw/zinc/26/63/40/375266340.db2.gz AKGUHOLTSWWDJP-CYBMUJFWSA-N 2 2 282.388 0.952 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@H]1CCCC12CC2 ZINC000638795484 375364941 /nfs/dbraw/zinc/36/49/41/375364941.db2.gz ONQDEGBCUBFVGY-VXGBXAGGSA-N 2 2 253.390 0.962 20 0 CCADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925888 375462074 /nfs/dbraw/zinc/46/20/74/375462074.db2.gz BXESAKDGGCUODL-SDDRHHMPSA-N 2 2 260.341 0.408 20 0 CCADLP [NH3+][C@H](C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)c1c(F)cccc1F ZINC000638914270 375450310 /nfs/dbraw/zinc/45/03/10/375450310.db2.gz BOMKBJZUMJIEKC-UBJUHAIHSA-N 2 2 267.279 0.537 20 0 CCADLP O=C(Nc1cc(N2CC[NH2+]CC2)ccn1)[C@@H]1CSC[NH2+]1 ZINC000638984793 375497419 /nfs/dbraw/zinc/49/74/19/375497419.db2.gz RTMODRMZHUMXRS-NSHDSACASA-N 2 2 293.396 0.092 20 0 CCADLP C[NH2+]CCC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000638990839 375503000 /nfs/dbraw/zinc/50/30/00/375503000.db2.gz RGBSXBHKIYLIOS-UHFFFAOYSA-N 2 2 294.424 0.861 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639004967 375514401 /nfs/dbraw/zinc/51/44/01/375514401.db2.gz RZPAEKLQAIJHME-QWHCGFSZSA-N 2 2 291.399 0.147 20 0 CCADLP COC[C@@]1(C(=O)N(C)Cc2[nH]cc[nH+]2)CCC[NH2+]1 ZINC000639017532 375521351 /nfs/dbraw/zinc/52/13/51/375521351.db2.gz WLVQOHDDVMMADO-GFCCVEGCSA-N 2 2 252.318 0.137 20 0 CCADLP C[NH2+][C@@H](C)C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000568768135 291621990 /nfs/dbraw/zinc/62/19/90/291621990.db2.gz HSPPKVRRSNZLOI-NEPJUHHUSA-N 2 2 292.383 0.531 20 0 CCADLP O=C(C[NH2+]C1CC[NH+](C2CCCC2)CC1)N1CC[NH2+]CC1 ZINC000574629627 335034822 /nfs/dbraw/zinc/03/48/22/335034822.db2.gz BFSMYBARRVHTIK-UHFFFAOYSA-N 3 2 294.443 0.415 20 0 CCADLP CC(C)(C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO)N1CCOCC1 ZINC000639219592 375643648 /nfs/dbraw/zinc/64/36/48/375643648.db2.gz VBCGHVYJYVQERE-HNNXBMFYSA-N 2 2 299.459 0.534 20 0 CCADLP CC(C)(C[NH2+]C[C@@H]1CCC[N@H+]1CCCO)N1CCOCC1 ZINC000639219592 375643657 /nfs/dbraw/zinc/64/36/57/375643657.db2.gz VBCGHVYJYVQERE-HNNXBMFYSA-N 2 2 299.459 0.534 20 0 CCADLP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000639355116 375754079 /nfs/dbraw/zinc/75/40/79/375754079.db2.gz PCJCZYXVAHHYQT-YNEHKIRRSA-N 2 2 269.389 0.090 20 0 CCADLP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000639355116 375754084 /nfs/dbraw/zinc/75/40/84/375754084.db2.gz PCJCZYXVAHHYQT-YNEHKIRRSA-N 2 2 269.389 0.090 20 0 CCADLP C[C@H]1OCC[C@@H]1C[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000639480160 375800432 /nfs/dbraw/zinc/80/04/32/375800432.db2.gz FRSOAUUUPZTTMT-ZIAGYGMSSA-N 2 2 278.400 0.963 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+](CCc2cnccn2)CC1 ZINC000639491190 375807629 /nfs/dbraw/zinc/80/76/29/375807629.db2.gz ZPOLXCQMNCGYGU-UHFFFAOYSA-N 2 2 278.400 0.798 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+](CCc2cnccn2)CC1 ZINC000639491190 375807632 /nfs/dbraw/zinc/80/76/32/375807632.db2.gz ZPOLXCQMNCGYGU-UHFFFAOYSA-N 2 2 278.400 0.798 20 0 CCADLP Cc1nc(CC[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C)no1 ZINC000656697067 412841023 /nfs/dbraw/zinc/84/10/23/412841023.db2.gz OTEUWBLWWSYBIP-GFCCVEGCSA-N 2 2 270.377 0.553 20 0 CCADLP Cc1nc(CC[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C)no1 ZINC000656697067 412841025 /nfs/dbraw/zinc/84/10/25/412841025.db2.gz OTEUWBLWWSYBIP-GFCCVEGCSA-N 2 2 270.377 0.553 20 0 CCADLP Cc1nc(CC[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C)no1 ZINC000656697067 412841028 /nfs/dbraw/zinc/84/10/28/412841028.db2.gz OTEUWBLWWSYBIP-GFCCVEGCSA-N 2 2 270.377 0.553 20 0 CCADLP Cc1nc(CC[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C)no1 ZINC000656697067 412841032 /nfs/dbraw/zinc/84/10/32/412841032.db2.gz OTEUWBLWWSYBIP-GFCCVEGCSA-N 2 2 270.377 0.553 20 0 CCADLP COC[C@H]1C[N@H+](CCc2c[nH+]cn2C)C[C@H](C)O1 ZINC000639603931 375854855 /nfs/dbraw/zinc/85/48/55/375854855.db2.gz IAJHZMJSEFTEHP-WCQYABFASA-N 2 2 253.346 0.698 20 0 CCADLP COC[C@H]1C[N@@H+](CCc2c[nH+]cn2C)C[C@H](C)O1 ZINC000639603931 375854864 /nfs/dbraw/zinc/85/48/64/375854864.db2.gz IAJHZMJSEFTEHP-WCQYABFASA-N 2 2 253.346 0.698 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000639648269 375886611 /nfs/dbraw/zinc/88/66/11/375886611.db2.gz NJFPNFHADWFIQP-CYBMUJFWSA-N 2 2 276.384 0.907 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000639648269 375886619 /nfs/dbraw/zinc/88/66/19/375886619.db2.gz NJFPNFHADWFIQP-CYBMUJFWSA-N 2 2 276.384 0.907 20 0 CCADLP C[C@@H]1OCC[C@]12C[N@H+](CCc1c[nH+]cn1C)CCO2 ZINC000639622835 375867719 /nfs/dbraw/zinc/86/77/19/375867719.db2.gz UTFIMDVMLOQMOT-JSGCOSHPSA-N 2 2 265.357 0.842 20 0 CCADLP C[C@@H]1OCC[C@]12C[N@@H+](CCc1c[nH+]cn1C)CCO2 ZINC000639622835 375867721 /nfs/dbraw/zinc/86/77/21/375867721.db2.gz UTFIMDVMLOQMOT-JSGCOSHPSA-N 2 2 265.357 0.842 20 0 CCADLP Nc1ccnc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000639705194 375933123 /nfs/dbraw/zinc/93/31/23/375933123.db2.gz UHKIDYWPJVDCQL-UHFFFAOYSA-N 2 2 284.367 0.996 20 0 CCADLP Nc1ccnc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000639705194 375933127 /nfs/dbraw/zinc/93/31/27/375933127.db2.gz UHKIDYWPJVDCQL-UHFFFAOYSA-N 2 2 284.367 0.996 20 0 CCADLP Cc1cc(C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)on1 ZINC000639766722 375997328 /nfs/dbraw/zinc/99/73/28/375997328.db2.gz ONFCLJBEAZCLFT-ZDUSSCGKSA-N 2 2 253.346 0.872 20 0 CCADLP Cc1cc(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)on1 ZINC000639766722 375997337 /nfs/dbraw/zinc/99/73/37/375997337.db2.gz ONFCLJBEAZCLFT-ZDUSSCGKSA-N 2 2 253.346 0.872 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000639767224 375997352 /nfs/dbraw/zinc/99/73/52/375997352.db2.gz QGMNWZINNUCBNC-QWRGUYRKSA-N 2 2 284.322 0.688 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000639767224 375997357 /nfs/dbraw/zinc/99/73/57/375997357.db2.gz QGMNWZINNUCBNC-QWRGUYRKSA-N 2 2 284.322 0.688 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000639762877 375990309 /nfs/dbraw/zinc/99/03/09/375990309.db2.gz ALDQTUYEVNIFGF-MRXNPFEDSA-N 2 2 291.395 0.674 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000639762877 375990313 /nfs/dbraw/zinc/99/03/13/375990313.db2.gz ALDQTUYEVNIFGF-MRXNPFEDSA-N 2 2 291.395 0.674 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000639944392 376144380 /nfs/dbraw/zinc/14/43/80/376144380.db2.gz KRZNYMPJVJECCB-ZIAGYGMSSA-N 2 2 276.340 0.176 20 0 CCADLP COc1cc(C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)ccn1 ZINC000640051604 376216821 /nfs/dbraw/zinc/21/68/21/376216821.db2.gz RWNFQHZZYMNGJC-UHFFFAOYSA-N 2 2 292.383 0.296 20 0 CCADLP COc1cc(C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)ccn1 ZINC000640051604 376216829 /nfs/dbraw/zinc/21/68/29/376216829.db2.gz RWNFQHZZYMNGJC-UHFFFAOYSA-N 2 2 292.383 0.296 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)C(C)(C)C ZINC000640051778 376218205 /nfs/dbraw/zinc/21/82/05/376218205.db2.gz ZPBIMTWPTBHEHM-GFCCVEGCSA-N 2 2 271.405 0.099 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)C(C)(C)C ZINC000640051778 376218208 /nfs/dbraw/zinc/21/82/08/376218208.db2.gz ZPBIMTWPTBHEHM-GFCCVEGCSA-N 2 2 271.405 0.099 20 0 CCADLP CC(C)CCOCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640060077 376223161 /nfs/dbraw/zinc/22/31/61/376223161.db2.gz ZFCITOYTFYHNJJ-UHFFFAOYSA-N 2 2 285.432 0.755 20 0 CCADLP CC(C)CCOCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640060077 376223165 /nfs/dbraw/zinc/22/31/65/376223165.db2.gz ZFCITOYTFYHNJJ-UHFFFAOYSA-N 2 2 285.432 0.755 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000640304470 376301617 /nfs/dbraw/zinc/30/16/17/376301617.db2.gz JLWKGENZRBNWDA-BNOWGMLFSA-N 2 2 296.415 0.228 20 0 CCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)CC1 ZINC000640509810 376407969 /nfs/dbraw/zinc/40/79/69/376407969.db2.gz BWKCPGQOLODGAY-CHWSQXEVSA-N 2 2 295.427 0.696 20 0 CCADLP COc1c(C)c[nH+]c(Cn2cc([C@@H]([NH3+])CO)nn2)c1C ZINC000640954020 376636988 /nfs/dbraw/zinc/63/69/88/376636988.db2.gz CHEVACBRBDOIIR-JTQLQIEISA-N 2 2 277.328 0.339 20 0 CCADLP COc1cc[nH+]cc1Cn1cc([C@H]([NH3+])[C@@H]2CCCO2)nn1 ZINC000641168311 376837233 /nfs/dbraw/zinc/83/72/33/376837233.db2.gz GJZIAULNJXCYCH-KBPBESRZSA-N 2 2 289.339 0.909 20 0 CCADLP Cc1cc(NC(=O)C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)on1 ZINC000641808386 377480859 /nfs/dbraw/zinc/48/08/59/377480859.db2.gz USEVACXXMNKODQ-BDAKNGLRSA-N 2 2 252.318 0.637 20 0 CCADLP O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000430678410 249022969 /nfs/dbraw/zinc/02/29/69/249022969.db2.gz JCQXKXIKJMFZSN-QWRGUYRKSA-N 2 2 264.329 0.104 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CC2CCOCC2)C[C@H](C)O1 ZINC000514669188 249097219 /nfs/dbraw/zinc/09/72/19/249097219.db2.gz VTIYGCBISYWROL-GUTXKFCHSA-N 2 2 286.416 0.473 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CC2CCOCC2)C[C@H](C)O1 ZINC000514669188 249097223 /nfs/dbraw/zinc/09/72/23/249097223.db2.gz VTIYGCBISYWROL-GUTXKFCHSA-N 2 2 286.416 0.473 20 0 CCADLP COCCCNC(=O)[C@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000515308156 249126767 /nfs/dbraw/zinc/12/67/67/249126767.db2.gz HCSMUYMECBNWCF-LBPRGKRZSA-N 2 2 295.387 0.073 20 0 CCADLP COC(=O)c1cc(C[NH2+]C2CC([NH+](C)C)C2)cn1C ZINC000514799757 249106177 /nfs/dbraw/zinc/10/61/77/249106177.db2.gz YESNNAYCUPRWRG-UHFFFAOYSA-N 2 2 265.357 0.994 20 0 CCADLP CN(CC1CC[NH+](C)CC1)C(=O)Cc1c[nH+]cn1C ZINC000516329862 249161474 /nfs/dbraw/zinc/16/14/74/249161474.db2.gz BIPCQRDVIYOLHX-UHFFFAOYSA-N 2 2 264.373 0.763 20 0 CCADLP C[C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C[NH+](C)C ZINC000515356311 249130317 /nfs/dbraw/zinc/13/03/17/249130317.db2.gz VQKWHJXQCQTDGC-MNOVXSKESA-N 2 2 252.362 0.902 20 0 CCADLP C[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C[NH+](C)C ZINC000515356311 249130319 /nfs/dbraw/zinc/13/03/19/249130319.db2.gz VQKWHJXQCQTDGC-MNOVXSKESA-N 2 2 252.362 0.902 20 0 CCADLP C[C@@H](C(=O)NCCCCN1CC[NH+](C)CC1)[NH+]1CC(C)C1 ZINC000515668774 249142234 /nfs/dbraw/zinc/14/22/34/249142234.db2.gz PQMHYEPFYUAUSZ-HNNXBMFYSA-N 2 2 296.459 0.470 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[NH+](C)C(C)(C)C2)CCO1 ZINC000515864807 249146696 /nfs/dbraw/zinc/14/66/96/249146696.db2.gz OGJRMOBRWUAWSW-CYBMUJFWSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](C)C(C)(C)C2)CCO1 ZINC000515864807 249146697 /nfs/dbraw/zinc/14/66/97/249146697.db2.gz OGJRMOBRWUAWSW-CYBMUJFWSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[N@H+](C)C(C)(C)C2)CCO1 ZINC000515864807 249146701 /nfs/dbraw/zinc/14/67/01/249146701.db2.gz OGJRMOBRWUAWSW-CYBMUJFWSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[N@@H+](C)C(C)(C)C2)CCO1 ZINC000515864807 249146703 /nfs/dbraw/zinc/14/67/03/249146703.db2.gz OGJRMOBRWUAWSW-CYBMUJFWSA-N 2 2 255.406 0.733 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)COC1CC[NH2+]CC1 ZINC000516568003 249169411 /nfs/dbraw/zinc/16/94/11/249169411.db2.gz MFHBPVQYTJWPSX-UHFFFAOYSA-N 2 2 280.372 0.500 20 0 CCADLP [NH3+]CCCCNC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000516569077 249170616 /nfs/dbraw/zinc/17/06/16/249170616.db2.gz QIPAPTHWFYVKEV-NSHDSACASA-N 2 2 257.284 0.820 20 0 CCADLP C[C@H](C(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C)[NH+]1CC(C)C1 ZINC000516660857 249176293 /nfs/dbraw/zinc/17/62/93/249176293.db2.gz DJKWXLQPJLRTKX-YNEHKIRRSA-N 2 2 253.390 0.878 20 0 CCADLP C[C@H](C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C)[NH+]1CC(C)C1 ZINC000516660857 249176295 /nfs/dbraw/zinc/17/62/95/249176295.db2.gz DJKWXLQPJLRTKX-YNEHKIRRSA-N 2 2 253.390 0.878 20 0 CCADLP [NH3+]C[C@H](NC(=O)C1CC[NH+](CC(F)F)CC1)C1CC1 ZINC000569449044 291678719 /nfs/dbraw/zinc/67/87/19/291678719.db2.gz WXBDNHDRLDCCPG-NSHDSACASA-N 2 2 275.343 0.817 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000516959571 249192965 /nfs/dbraw/zinc/19/29/65/249192965.db2.gz XYZLPFAUNGLNHD-KBPBESRZSA-N 2 2 298.431 0.396 20 0 CCADLP Cc1nc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)no1 ZINC000516971505 249195581 /nfs/dbraw/zinc/19/55/81/249195581.db2.gz YUXCITLTEPTCME-YPMHNXCESA-N 2 2 266.345 0.706 20 0 CCADLP CN(Cc1ccccc1)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000517034434 249200994 /nfs/dbraw/zinc/20/09/94/249200994.db2.gz ZWRGQIJPDMPLIX-CQSZACIVSA-N 2 2 276.384 0.813 20 0 CCADLP CN(Cc1ccccc1)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000517034434 249200995 /nfs/dbraw/zinc/20/09/95/249200995.db2.gz ZWRGQIJPDMPLIX-CQSZACIVSA-N 2 2 276.384 0.813 20 0 CCADLP CC(C)[C@@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1[nH]cc[nH+]1 ZINC000517234711 249210181 /nfs/dbraw/zinc/21/01/81/249210181.db2.gz QJBWZAOYUKZNAO-ZYHUDNBSSA-N 2 2 293.371 0.091 20 0 CCADLP c1c[nH+]c(N2CCN(CC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)[nH]1 ZINC000518790701 249262363 /nfs/dbraw/zinc/26/23/63/249262363.db2.gz KNMVCNHBXUNDCV-OKILXGFUSA-N 2 2 291.399 0.395 20 0 CCADLP c1c[nH+]c(N2CCN(CC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)[nH]1 ZINC000518790701 249262364 /nfs/dbraw/zinc/26/23/64/249262364.db2.gz KNMVCNHBXUNDCV-OKILXGFUSA-N 2 2 291.399 0.395 20 0 CCADLP c1c[nH+]c(N2CC[NH+](CCN3C[C@H]4CC[C@@H](C3)O4)CC2)[nH]1 ZINC000518790701 249262366 /nfs/dbraw/zinc/26/23/66/249262366.db2.gz KNMVCNHBXUNDCV-OKILXGFUSA-N 2 2 291.399 0.395 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3cc(F)ccc3F)CCN2C1=O ZINC000574651570 335037544 /nfs/dbraw/zinc/03/75/44/335037544.db2.gz OFOPWSAETFJMTF-DGCLKSJQSA-N 2 2 281.306 0.709 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3cc(F)ccc3F)CCN2C1=O ZINC000574651570 335037545 /nfs/dbraw/zinc/03/75/45/335037545.db2.gz OFOPWSAETFJMTF-DGCLKSJQSA-N 2 2 281.306 0.709 20 0 CCADLP C[C@H](NC(=O)N1CCn2c[nH+]cc2C1)[C@@H]1C[N@H+](C)CCO1 ZINC000642703535 377610119 /nfs/dbraw/zinc/61/01/19/377610119.db2.gz HUBZZTRJZJSZFZ-AAEUAGOBSA-N 2 2 293.371 0.127 20 0 CCADLP C[C@H](NC(=O)N1CCn2c[nH+]cc2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000642703535 377610123 /nfs/dbraw/zinc/61/01/23/377610123.db2.gz HUBZZTRJZJSZFZ-AAEUAGOBSA-N 2 2 293.371 0.127 20 0 CCADLP COC[C@]1(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CCC[NH2+]1 ZINC000569497618 291684900 /nfs/dbraw/zinc/68/49/00/291684900.db2.gz KUDVGLBOWFULFQ-TZMCWYRMSA-N 2 2 280.372 0.719 20 0 CCADLP C[C@@H]1CN(c2cc(-n3cc[nH+]c3)ncn2)[C@@H](C)C[NH2+]1 ZINC000643023129 377691333 /nfs/dbraw/zinc/69/13/33/377691333.db2.gz UERRYHOSSMDZJU-MNOVXSKESA-N 2 2 258.329 0.849 20 0 CCADLP Cc1nc(F)ccc1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000278576965 194053125 /nfs/dbraw/zinc/05/31/25/194053125.db2.gz XZRJAIIMZSCQAT-ZDUSSCGKSA-N 2 2 255.337 0.931 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000279305121 194377291 /nfs/dbraw/zinc/37/72/91/194377291.db2.gz ADOYBZGYZGXZGE-CMPLNLGQSA-N 2 2 280.372 0.486 20 0 CCADLP C[NH+]1CCN(CCC[NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657296037 412952765 /nfs/dbraw/zinc/95/27/65/412952765.db2.gz OPLVIJCSWBFAOB-UHFFFAOYSA-N 3 2 277.416 0.556 20 0 CCADLP CC(C)NC(=O)CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657302692 412958740 /nfs/dbraw/zinc/95/87/40/412958740.db2.gz FSWLHPVEOJESBK-UHFFFAOYSA-N 2 2 250.346 0.834 20 0 CCADLP C[C@@H](CC(=O)NCCC[NH+]1CCOCC1)n1cc[nH+]c1 ZINC000571214978 291799791 /nfs/dbraw/zinc/79/97/91/291799791.db2.gz HQZHEPGIVBMJEV-ZDUSSCGKSA-N 2 2 280.372 0.673 20 0 CCADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CS(=O)(=O)CC)C1 ZINC000246082260 285003290 /nfs/dbraw/zinc/00/32/90/285003290.db2.gz VFBNIKLLLVZGRU-NEPJUHHUSA-N 2 2 262.419 0.741 20 0 CCADLP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CS(=O)(=O)CC)C1 ZINC000246082260 285003294 /nfs/dbraw/zinc/00/32/94/285003294.db2.gz VFBNIKLLLVZGRU-NEPJUHHUSA-N 2 2 262.419 0.741 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000449604137 532975245 /nfs/dbraw/zinc/97/52/45/532975245.db2.gz SGAGNPMXEZCWCF-CHWSQXEVSA-N 2 2 291.395 0.984 20 0 CCADLP O=S1(=O)CCC[C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)C1 ZINC000376150744 285061203 /nfs/dbraw/zinc/06/12/03/285061203.db2.gz MJDWMRDUYUARQH-ZDUSSCGKSA-N 2 2 297.424 0.929 20 0 CCADLP COCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369258294 285068184 /nfs/dbraw/zinc/06/81/84/285068184.db2.gz VLWUGKPSXLXOIJ-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP COCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369258294 285068186 /nfs/dbraw/zinc/06/81/86/285068186.db2.gz VLWUGKPSXLXOIJ-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NC2C[NH2+]C2)C1 ZINC000335286108 208103769 /nfs/dbraw/zinc/10/37/69/208103769.db2.gz OULGTEUDPDBFNU-NSHDSACASA-N 2 2 277.372 0.356 20 0 CCADLP O=S1(=O)CCC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657365711 412974589 /nfs/dbraw/zinc/97/45/89/412974589.db2.gz FGPMQKBVWNDNKS-JTQLQIEISA-N 2 2 269.370 0.496 20 0 CCADLP O=S1(=O)CCC[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657365713 412975886 /nfs/dbraw/zinc/97/58/86/412975886.db2.gz FGPMQKBVWNDNKS-SNVBAGLBSA-N 2 2 269.370 0.496 20 0 CCADLP Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000657436171 412988181 /nfs/dbraw/zinc/98/81/81/412988181.db2.gz POSOATZXLHHKIH-LLVKDONJSA-N 2 2 292.305 0.595 20 0 CCADLP Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000657436171 412988187 /nfs/dbraw/zinc/98/81/87/412988187.db2.gz POSOATZXLHHKIH-LLVKDONJSA-N 2 2 292.305 0.595 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC000249516743 285122063 /nfs/dbraw/zinc/12/20/63/285122063.db2.gz RPSMIWYKHLFNHF-UONOGXRCSA-N 2 2 283.416 0.386 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC000249516743 285122064 /nfs/dbraw/zinc/12/20/64/285122064.db2.gz RPSMIWYKHLFNHF-UONOGXRCSA-N 2 2 283.416 0.386 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000249516743 285122069 /nfs/dbraw/zinc/12/20/69/285122069.db2.gz RPSMIWYKHLFNHF-UONOGXRCSA-N 2 2 283.416 0.386 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000249516743 285122070 /nfs/dbraw/zinc/12/20/70/285122070.db2.gz RPSMIWYKHLFNHF-UONOGXRCSA-N 2 2 283.416 0.386 20 0 CCADLP CSC1(C[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000576697824 335235946 /nfs/dbraw/zinc/23/59/46/335235946.db2.gz MHLODGIMLISTHF-FRRDWIJNSA-N 2 2 288.457 0.942 20 0 CCADLP CSC1(C[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000576697824 335235947 /nfs/dbraw/zinc/23/59/47/335235947.db2.gz MHLODGIMLISTHF-FRRDWIJNSA-N 2 2 288.457 0.942 20 0 CCADLP COCC(C)(C)[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC000425504634 533094514 /nfs/dbraw/zinc/09/45/14/533094514.db2.gz MNBAWVXDIRJABY-UHFFFAOYSA-N 2 2 285.432 0.361 20 0 CCADLP CC(C)(CNC(=O)CC[C@@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000261677045 285156044 /nfs/dbraw/zinc/15/60/44/285156044.db2.gz GLFKMGIUNSPHCK-ZDUSSCGKSA-N 2 2 283.416 0.746 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+](CC(N)=O)Cc1ccccc1 ZINC000289015415 197214275 /nfs/dbraw/zinc/21/42/75/197214275.db2.gz AJBOQVGPFMUJIV-UHFFFAOYSA-N 2 2 272.352 0.950 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+](CC(N)=O)Cc1ccccc1 ZINC000289015415 197214276 /nfs/dbraw/zinc/21/42/76/197214276.db2.gz AJBOQVGPFMUJIV-UHFFFAOYSA-N 2 2 272.352 0.950 20 0 CCADLP C[C@H](F)CC[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000572631703 291893151 /nfs/dbraw/zinc/89/31/51/291893151.db2.gz CKNVFNPLTDXRNT-CYDGBPFRSA-N 2 2 262.369 0.794 20 0 CCADLP C[C@H]([NH2+]CC(=O)NCC(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000393683519 285211029 /nfs/dbraw/zinc/21/10/29/285211029.db2.gz KUFAEHBIFPLVLU-DTWKUNHWSA-N 2 2 267.295 0.785 20 0 CCADLP CC(=O)NCCC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000394753554 285217947 /nfs/dbraw/zinc/21/79/47/285217947.db2.gz WGZXEVVDCDAKNN-UHFFFAOYSA-N 2 2 253.350 0.102 20 0 CCADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCCOCC1 ZINC000449392595 285259974 /nfs/dbraw/zinc/25/99/74/285259974.db2.gz KLHFRVRJBQWHKI-KGLIPLIRSA-N 2 2 256.390 0.992 20 0 CCADLP OCC[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCCOCC1 ZINC000449392595 285259975 /nfs/dbraw/zinc/25/99/75/285259975.db2.gz KLHFRVRJBQWHKI-KGLIPLIRSA-N 2 2 256.390 0.992 20 0 CCADLP CN(C)C(=O)O[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000496197761 285266364 /nfs/dbraw/zinc/26/63/64/285266364.db2.gz PYZJRNIJAMCJST-OLZOCXBDSA-N 2 2 285.388 0.214 20 0 CCADLP CN(C)C(=O)O[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000496197761 285266365 /nfs/dbraw/zinc/26/63/65/285266365.db2.gz PYZJRNIJAMCJST-OLZOCXBDSA-N 2 2 285.388 0.214 20 0 CCADLP CN(C)C(=O)O[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000496197761 285266367 /nfs/dbraw/zinc/26/63/67/285266367.db2.gz PYZJRNIJAMCJST-OLZOCXBDSA-N 2 2 285.388 0.214 20 0 CCADLP CN(C)C(=O)O[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000496197761 285266369 /nfs/dbraw/zinc/26/63/69/285266369.db2.gz PYZJRNIJAMCJST-OLZOCXBDSA-N 2 2 285.388 0.214 20 0 CCADLP CN(C)[C@H](C(=O)NCCC[NH+](C)C)c1c[nH+]cn1C ZINC000281304676 195189968 /nfs/dbraw/zinc/18/99/68/195189968.db2.gz ZBDQOQWKOANNNQ-LBPRGKRZSA-N 2 2 267.377 0.091 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccccc1CO)C1CC1 ZINC000521874761 285292986 /nfs/dbraw/zinc/29/29/86/285292986.db2.gz CTXLEQZBFXLZRU-OAHLLOKOSA-N 2 2 264.369 0.724 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccccc1CO)C1CC1 ZINC000521874761 285292989 /nfs/dbraw/zinc/29/29/89/285292989.db2.gz CTXLEQZBFXLZRU-OAHLLOKOSA-N 2 2 264.369 0.724 20 0 CCADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283019068 388760699 /nfs/dbraw/zinc/76/06/99/388760699.db2.gz HROSUCDVTOGYBX-ITKZLYELSA-N 2 2 292.383 0.727 20 0 CCADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283019068 388760700 /nfs/dbraw/zinc/76/07/00/388760700.db2.gz HROSUCDVTOGYBX-ITKZLYELSA-N 2 2 292.383 0.727 20 0 CCADLP Cc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)no1 ZINC000284088863 388773032 /nfs/dbraw/zinc/77/30/32/388773032.db2.gz MFCYYHKFCPRXBZ-YPMHNXCESA-N 2 2 280.372 0.973 20 0 CCADLP Cc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)no1 ZINC000284088863 388773035 /nfs/dbraw/zinc/77/30/35/388773035.db2.gz MFCYYHKFCPRXBZ-YPMHNXCESA-N 2 2 280.372 0.973 20 0 CCADLP COc1ccc(CC[N@@H+]2CCO[C@H](C[NH3+])C2)cc1 ZINC000011885960 388775117 /nfs/dbraw/zinc/77/51/17/388775117.db2.gz FOUFHRWELOBNPR-CQSZACIVSA-N 2 2 250.342 0.897 20 0 CCADLP COc1ccc(CC[N@H+]2CCO[C@H](C[NH3+])C2)cc1 ZINC000011885960 388775121 /nfs/dbraw/zinc/77/51/21/388775121.db2.gz FOUFHRWELOBNPR-CQSZACIVSA-N 2 2 250.342 0.897 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](CCO)c2ccco2)CC1 ZINC000185072686 388783982 /nfs/dbraw/zinc/78/39/82/388783982.db2.gz GPURVYWJACIDHG-LBPRGKRZSA-N 2 2 281.356 0.067 20 0 CCADLP OCC[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000032049849 388832249 /nfs/dbraw/zinc/83/22/49/388832249.db2.gz AAZPYKWQQVDYLY-UHFFFAOYSA-N 2 2 280.368 0.480 20 0 CCADLP CC(C)(CNC(=O)[C@H]1CCCC[NH2+]1)[NH+]1CCOCC1 ZINC000040805156 388855462 /nfs/dbraw/zinc/85/54/62/388855462.db2.gz VAOHLOXEECTTAY-GFCCVEGCSA-N 2 2 269.389 0.356 20 0 CCADLP C[C@@H](CNc1[nH+]cnc(-n2cccn2)c1N)C[NH+](C)C ZINC000291646490 388932675 /nfs/dbraw/zinc/93/26/75/388932675.db2.gz BNCWZGWJMLHIRC-JTQLQIEISA-N 2 2 275.360 0.854 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000292285993 388947584 /nfs/dbraw/zinc/94/75/84/388947584.db2.gz JYYLGCZWHSGJSI-LBPRGKRZSA-N 2 2 275.356 0.576 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000292438973 388950009 /nfs/dbraw/zinc/95/00/09/388950009.db2.gz VOWRUPJQLPUYGF-WCQYABFASA-N 2 2 277.372 0.656 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000292438973 388950010 /nfs/dbraw/zinc/95/00/10/388950010.db2.gz VOWRUPJQLPUYGF-WCQYABFASA-N 2 2 277.372 0.656 20 0 CCADLP C[C@H]1CN(Cc2c[nH+]cn2C)CC[N@@H+]1CC(C)(C)O ZINC000189956320 388978962 /nfs/dbraw/zinc/97/89/62/388978962.db2.gz ULZHZLWHZGEJBY-LBPRGKRZSA-N 2 2 266.389 0.697 20 0 CCADLP C[C@H]1CN(Cc2c[nH+]cn2C)CC[N@H+]1CC(C)(C)O ZINC000189956320 388978965 /nfs/dbraw/zinc/97/89/65/388978965.db2.gz ULZHZLWHZGEJBY-LBPRGKRZSA-N 2 2 266.389 0.697 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000298589288 389033038 /nfs/dbraw/zinc/03/30/38/389033038.db2.gz USZVTKYRIRLISO-CYBMUJFWSA-N 2 2 297.403 0.539 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCCC[NH+]1CCOCC1 ZINC000298564202 389031389 /nfs/dbraw/zinc/03/13/89/389031389.db2.gz WBJRPUWOCFBYGQ-CYBMUJFWSA-N 2 2 295.387 0.293 20 0 CCADLP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCC[NH+]1CCOCC1 ZINC000085226720 389005592 /nfs/dbraw/zinc/00/55/92/389005592.db2.gz KLRPZNCVFZSPLM-KBPBESRZSA-N 2 2 298.431 0.300 20 0 CCADLP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCC[NH+]1CCOCC1 ZINC000085226720 389005595 /nfs/dbraw/zinc/00/55/95/389005595.db2.gz KLRPZNCVFZSPLM-KBPBESRZSA-N 2 2 298.431 0.300 20 0 CCADLP C([C@@H]1CCC[N@@H+]([C@@H]2CCOC2)C1)[NH+]1CCOCC1 ZINC000336732346 389016520 /nfs/dbraw/zinc/01/65/20/389016520.db2.gz SBWWNRSITPEMJF-UONOGXRCSA-N 2 2 254.374 0.820 20 0 CCADLP C([C@@H]1CCC[N@H+]([C@@H]2CCOC2)C1)[NH+]1CCOCC1 ZINC000336732346 389016527 /nfs/dbraw/zinc/01/65/27/389016527.db2.gz SBWWNRSITPEMJF-UONOGXRCSA-N 2 2 254.374 0.820 20 0 CCADLP C[C@@H]1COCC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000354332665 389020311 /nfs/dbraw/zinc/02/03/11/389020311.db2.gz IWIGLZKQRJPDOE-JHJVBQTASA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]1COCC[C@H]1[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000354332665 389020314 /nfs/dbraw/zinc/02/03/14/389020314.db2.gz IWIGLZKQRJPDOE-JHJVBQTASA-N 2 2 269.389 0.341 20 0 CCADLP COCC[N@@H+](C)CCCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000298589288 389033043 /nfs/dbraw/zinc/03/30/43/389033043.db2.gz USZVTKYRIRLISO-CYBMUJFWSA-N 2 2 297.403 0.539 20 0 CCADLP COC(=O)CN1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000355282965 389052752 /nfs/dbraw/zinc/05/27/52/389052752.db2.gz QBPQLDZUDIDBGW-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP COC(=O)CN1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000355282965 389052754 /nfs/dbraw/zinc/05/27/54/389052754.db2.gz QBPQLDZUDIDBGW-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000355308742 389058490 /nfs/dbraw/zinc/05/84/90/389058490.db2.gz BRFNLMSHEZNZGS-AWEZNQCLSA-N 3 2 296.459 0.470 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000355308742 389058491 /nfs/dbraw/zinc/05/84/91/389058491.db2.gz BRFNLMSHEZNZGS-AWEZNQCLSA-N 3 2 296.459 0.470 20 0 CCADLP CN(C)[C@@H](C(=O)N1CCC([NH+](C)C)CC1)c1c[nH+]cn1C ZINC000355570507 389094951 /nfs/dbraw/zinc/09/49/51/389094951.db2.gz UDOUWIOHPHYSGV-CQSZACIVSA-N 2 2 293.415 0.575 20 0 CCADLP C[NH+](C)C1CC[NH+](C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000193811907 389080181 /nfs/dbraw/zinc/08/01/81/389080181.db2.gz CWNQMQOWTOTSOX-GJZGRUSLSA-N 2 2 286.416 0.569 20 0 CCADLP CN(C)c1nc(N2CC[NH+](CCCO)CC2)cc[nH+]1 ZINC000304350335 389083156 /nfs/dbraw/zinc/08/31/56/389083156.db2.gz YTBRUXBSTBMNPA-UHFFFAOYSA-N 2 2 265.361 0.047 20 0 CCADLP CCCN(CC[NH+](C)C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338184438 389085999 /nfs/dbraw/zinc/08/59/99/389085999.db2.gz ZQZZCBBBCBHPRQ-UHFFFAOYSA-N 2 2 285.432 0.897 20 0 CCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000355042274 389037936 /nfs/dbraw/zinc/03/79/36/389037936.db2.gz KGZJYQSNQLRNAM-SMDDNHRTSA-N 2 2 292.383 0.492 20 0 CCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000355042274 389037944 /nfs/dbraw/zinc/03/79/44/389037944.db2.gz KGZJYQSNQLRNAM-SMDDNHRTSA-N 2 2 292.383 0.492 20 0 CCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000355042274 389037946 /nfs/dbraw/zinc/03/79/46/389037946.db2.gz KGZJYQSNQLRNAM-SMDDNHRTSA-N 2 2 292.383 0.492 20 0 CCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000355042274 389037948 /nfs/dbraw/zinc/03/79/48/389037948.db2.gz KGZJYQSNQLRNAM-SMDDNHRTSA-N 2 2 292.383 0.492 20 0 CCADLP CNC(=O)C(C)(C)C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000121185174 389147493 /nfs/dbraw/zinc/14/74/93/389147493.db2.gz AZOLCQQZHUWTRK-QWRGUYRKSA-N 2 2 253.390 0.973 20 0 CCADLP CNC(=O)C(C)(C)C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000121185174 389147496 /nfs/dbraw/zinc/14/74/96/389147496.db2.gz AZOLCQQZHUWTRK-QWRGUYRKSA-N 2 2 253.390 0.973 20 0 CCADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000338285811 389106062 /nfs/dbraw/zinc/10/60/62/389106062.db2.gz LKBAWGQIYVXTMD-GFCCVEGCSA-N 2 2 277.434 0.471 20 0 CCADLP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000338285811 389106065 /nfs/dbraw/zinc/10/60/65/389106065.db2.gz LKBAWGQIYVXTMD-GFCCVEGCSA-N 2 2 277.434 0.471 20 0 CCADLP CC(C)CN(CC(C)C)C(=O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000312054361 389106741 /nfs/dbraw/zinc/10/67/41/389106741.db2.gz YIHJMNPIQWCYSF-CYBMUJFWSA-N 2 2 273.421 0.378 20 0 CCADLP CC(C)CN(CC(C)C)C(=O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000312054361 389106742 /nfs/dbraw/zinc/10/67/42/389106742.db2.gz YIHJMNPIQWCYSF-CYBMUJFWSA-N 2 2 273.421 0.378 20 0 CCADLP CC(C)[NH2+]C1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000338287924 389107105 /nfs/dbraw/zinc/10/71/05/389107105.db2.gz VLKPDVNSCVHYDY-UHFFFAOYSA-N 3 2 296.459 0.613 20 0 CCADLP Cn1cc(CCC[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cn1 ZINC000314688548 389117361 /nfs/dbraw/zinc/11/73/61/389117361.db2.gz CBRKLUPMVBTNLZ-CQSZACIVSA-N 2 2 265.405 0.188 20 0 CCADLP Cn1cc(CCC[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cn1 ZINC000314688548 389117365 /nfs/dbraw/zinc/11/73/65/389117365.db2.gz CBRKLUPMVBTNLZ-CQSZACIVSA-N 2 2 265.405 0.188 20 0 CCADLP CC(C)N1CC[C@@H]([N@H+](C)C2CC[NH+](CCO)CC2)C1=O ZINC000355961502 389118081 /nfs/dbraw/zinc/11/80/81/389118081.db2.gz VXYMHSSVDSGGBZ-CQSZACIVSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)N1CC[C@@H]([N@@H+](C)C2CC[NH+](CCO)CC2)C1=O ZINC000355961502 389118083 /nfs/dbraw/zinc/11/80/83/389118083.db2.gz VXYMHSSVDSGGBZ-CQSZACIVSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000360833135 389205441 /nfs/dbraw/zinc/20/54/41/389205441.db2.gz MEBLIBXHLZZHNE-VWYCJHECSA-N 2 2 273.327 0.679 20 0 CCADLP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000360833135 389205444 /nfs/dbraw/zinc/20/54/44/389205444.db2.gz MEBLIBXHLZZHNE-VWYCJHECSA-N 2 2 273.327 0.679 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000360415457 389197726 /nfs/dbraw/zinc/19/77/26/389197726.db2.gz AGXXQBIQCCDWED-HZSPNIEDSA-N 2 2 275.400 0.985 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000360415457 389197727 /nfs/dbraw/zinc/19/77/27/389197727.db2.gz AGXXQBIQCCDWED-HZSPNIEDSA-N 2 2 275.400 0.985 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)[C@@]1(C)CCCO1 ZINC000340240581 389154486 /nfs/dbraw/zinc/15/44/86/389154486.db2.gz SNJTYVMTOMFCGD-BFHYXJOUSA-N 2 2 255.406 0.779 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)[C@@]1(C)CCCO1 ZINC000340240581 389154490 /nfs/dbraw/zinc/15/44/90/389154490.db2.gz SNJTYVMTOMFCGD-BFHYXJOUSA-N 2 2 255.406 0.779 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@@H](CO)C2CCOCC2)C[N@@H+]1C1CC1 ZINC000360796889 389204436 /nfs/dbraw/zinc/20/44/36/389204436.db2.gz ACKXMJFLCYTVHR-ZLDLUXBVSA-N 2 2 268.401 0.989 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@@H](CO)C2CCOCC2)C[N@H+]1C1CC1 ZINC000360796889 389204438 /nfs/dbraw/zinc/20/44/38/389204438.db2.gz ACKXMJFLCYTVHR-ZLDLUXBVSA-N 2 2 268.401 0.989 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000359030469 389165384 /nfs/dbraw/zinc/16/53/84/389165384.db2.gz NTNLIOVSXVZFGS-MNOVXSKESA-N 2 2 260.403 0.493 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000359030469 389165387 /nfs/dbraw/zinc/16/53/87/389165387.db2.gz NTNLIOVSXVZFGS-MNOVXSKESA-N 2 2 260.403 0.493 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@@H]1CSC[NH2+]1)[NH+]1CCOCC1 ZINC000236685053 389170852 /nfs/dbraw/zinc/17/08/52/389170852.db2.gz DJWDKZICBAPLDG-NWDGAFQWSA-N 2 2 287.429 0.122 20 0 CCADLP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCn2c[nH+]cc2C1 ZINC000359460593 389174486 /nfs/dbraw/zinc/17/44/86/389174486.db2.gz NPRDOBDTHBQXRE-LBPRGKRZSA-N 2 2 271.324 0.999 20 0 CCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248123388 389244080 /nfs/dbraw/zinc/24/40/80/389244080.db2.gz NPMBQLVGEDIRPF-QWHCGFSZSA-N 2 2 253.390 0.927 20 0 CCADLP CC(C)NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248123388 389244083 /nfs/dbraw/zinc/24/40/83/389244083.db2.gz NPMBQLVGEDIRPF-QWHCGFSZSA-N 2 2 253.390 0.927 20 0 CCADLP CC(C)NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248123388 389244086 /nfs/dbraw/zinc/24/40/86/389244086.db2.gz NPMBQLVGEDIRPF-QWHCGFSZSA-N 2 2 253.390 0.927 20 0 CCADLP CC(C)NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248123388 389244088 /nfs/dbraw/zinc/24/40/88/389244088.db2.gz NPMBQLVGEDIRPF-QWHCGFSZSA-N 2 2 253.390 0.927 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000342711707 389246293 /nfs/dbraw/zinc/24/62/93/389246293.db2.gz QUMOEYKNJQHKIN-JTQLQIEISA-N 2 2 272.299 0.553 20 0 CCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc[nH+]c(N(C)C)n1 ZINC000343246176 389261330 /nfs/dbraw/zinc/26/13/30/389261330.db2.gz DEBOJFKIJYQYMQ-QWHCGFSZSA-N 2 2 291.399 0.842 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](CC2CC2)CC1)[C@@H]1CCSC1 ZINC000136942702 389268461 /nfs/dbraw/zinc/26/84/61/389268461.db2.gz VLIHEZHGRHMYNM-CQSZACIVSA-N 2 2 297.468 0.978 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](CC2CC2)CC1)[C@@H]1CCSC1 ZINC000136942702 389268466 /nfs/dbraw/zinc/26/84/66/389268466.db2.gz VLIHEZHGRHMYNM-CQSZACIVSA-N 2 2 297.468 0.978 20 0 CCADLP COC[C@@H](CC(C)C)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000361352291 389213878 /nfs/dbraw/zinc/21/38/78/389213878.db2.gz PDBXUWADQYWDNW-KGLIPLIRSA-N 2 2 257.422 0.883 20 0 CCADLP COC[C@@H](CC(C)C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000361352291 389213881 /nfs/dbraw/zinc/21/38/81/389213881.db2.gz PDBXUWADQYWDNW-KGLIPLIRSA-N 2 2 257.422 0.883 20 0 CCADLP CO[C@@H](C)[C@@H](C)[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000361487622 389217356 /nfs/dbraw/zinc/21/73/56/389217356.db2.gz VOYWCTVWIXMTPT-CABCVRRESA-N 2 2 287.448 0.390 20 0 CCADLP CN(CCC(=O)N1CC[NH+](C)CC1)C[C@H]1CCC[N@@H+]1C ZINC000420997886 389344557 /nfs/dbraw/zinc/34/45/57/389344557.db2.gz LTSLOGSBEGDDFX-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP CN(CCC(=O)N1CC[NH+](C)CC1)C[C@H]1CCC[N@H+]1C ZINC000420997886 389344560 /nfs/dbraw/zinc/34/45/60/389344560.db2.gz LTSLOGSBEGDDFX-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP CN1CCC[C@@H]1C[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000420997886 389344562 /nfs/dbraw/zinc/34/45/62/389344562.db2.gz LTSLOGSBEGDDFX-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP CN1CCC[C@@H]1C[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000420997886 389344564 /nfs/dbraw/zinc/34/45/64/389344564.db2.gz LTSLOGSBEGDDFX-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NCCC1CC[NH+](C)CC1 ZINC000264208780 389312566 /nfs/dbraw/zinc/31/25/66/389312566.db2.gz RLWDXWIKOIJHJA-UHFFFAOYSA-N 2 2 279.388 0.951 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000264249647 389315610 /nfs/dbraw/zinc/31/56/10/389315610.db2.gz YPMPJAFOXBLXRD-LLVKDONJSA-N 2 2 277.372 0.704 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000264249647 389315611 /nfs/dbraw/zinc/31/56/11/389315611.db2.gz YPMPJAFOXBLXRD-LLVKDONJSA-N 2 2 277.372 0.704 20 0 CCADLP COCCN(CC[NH+](C)C)C(=O)NCc1[nH+]ccn1C ZINC000264274787 389317266 /nfs/dbraw/zinc/31/72/66/389317266.db2.gz IJOYCXPWWZWYTK-UHFFFAOYSA-N 2 2 283.376 0.140 20 0 CCADLP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000346989605 389343516 /nfs/dbraw/zinc/34/35/16/389343516.db2.gz RYVDIXMGNBWYAU-CHWSQXEVSA-N 2 2 267.373 0.012 20 0 CCADLP CN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000346989605 389343518 /nfs/dbraw/zinc/34/35/18/389343518.db2.gz RYVDIXMGNBWYAU-CHWSQXEVSA-N 2 2 267.373 0.012 20 0 CCADLP CN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000346989605 389343523 /nfs/dbraw/zinc/34/35/23/389343523.db2.gz RYVDIXMGNBWYAU-CHWSQXEVSA-N 2 2 267.373 0.012 20 0 CCADLP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000346989605 389343529 /nfs/dbraw/zinc/34/35/29/389343529.db2.gz RYVDIXMGNBWYAU-CHWSQXEVSA-N 2 2 267.373 0.012 20 0 CCADLP CCOC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343883337 389274873 /nfs/dbraw/zinc/27/48/73/389274873.db2.gz ARNALPUTBSNCQA-QLFBSQMISA-N 2 2 297.443 0.896 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261927093 389278899 /nfs/dbraw/zinc/27/88/99/389278899.db2.gz ZKCQROYOASTVFJ-SMDDNHRTSA-N 2 2 284.404 0.527 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261927093 389278900 /nfs/dbraw/zinc/27/89/00/389278900.db2.gz ZKCQROYOASTVFJ-SMDDNHRTSA-N 2 2 284.404 0.527 20 0 CCADLP CCCNC(=O)[C@@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000331003908 389279166 /nfs/dbraw/zinc/27/91/66/389279166.db2.gz RVHPREYJNLYFBD-GFCCVEGCSA-N 2 2 279.388 0.457 20 0 CCADLP Cn1ccnc1[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CCN1C ZINC000262033439 389280612 /nfs/dbraw/zinc/28/06/12/389280612.db2.gz XKXMWTKJGLQIPH-KBPBESRZSA-N 2 2 277.416 0.708 20 0 CCADLP Cn1ccnc1[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CCN1C ZINC000262033439 389280614 /nfs/dbraw/zinc/28/06/14/389280614.db2.gz XKXMWTKJGLQIPH-KBPBESRZSA-N 2 2 277.416 0.708 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1NC[C@@]1([NH+](C)C)CCSC1 ZINC000344760954 389283991 /nfs/dbraw/zinc/28/39/91/389283991.db2.gz BWVWTGPSOKVSSV-AGIUHOORSA-N 2 2 257.447 0.963 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@@]1([NH+](C)C)CCSC1 ZINC000344760954 389283994 /nfs/dbraw/zinc/28/39/94/389283994.db2.gz BWVWTGPSOKVSSV-AGIUHOORSA-N 2 2 257.447 0.963 20 0 CCADLP CCC(C)(C)NC(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000331018484 389285339 /nfs/dbraw/zinc/28/53/39/389285339.db2.gz ZMFMSKKGAYXCLY-UHFFFAOYSA-N 2 2 293.415 0.847 20 0 CCADLP C[C@@H](CNC(=O)NCc1[nH+]ccn1C)C[NH+]1CCCC1 ZINC000264171156 389309535 /nfs/dbraw/zinc/30/95/35/389309535.db2.gz LTRNBPWRUXCOCD-LBPRGKRZSA-N 2 2 279.388 0.951 20 0 CCADLP CCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369255032 389392974 /nfs/dbraw/zinc/39/29/74/389392974.db2.gz LPGHPVAVXDSENF-LLVKDONJSA-N 2 2 254.378 0.474 20 0 CCADLP CCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369255032 389392977 /nfs/dbraw/zinc/39/29/77/389392977.db2.gz LPGHPVAVXDSENF-LLVKDONJSA-N 2 2 254.378 0.474 20 0 CCADLP C[NH+](C)[C@H]1CCCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000332991391 389400384 /nfs/dbraw/zinc/40/03/84/389400384.db2.gz FHMOQLTUZWUCCS-STQMWFEESA-N 2 2 291.399 0.934 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000333529589 389418732 /nfs/dbraw/zinc/41/87/32/389418732.db2.gz HTTUBZAGUFHFLU-CYBMUJFWSA-N 2 2 297.447 0.016 20 0 CCADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1cnc(N(C)C)nc1 ZINC000347773014 389357611 /nfs/dbraw/zinc/35/76/11/389357611.db2.gz JBITWKWJVOAPNR-ZDUSSCGKSA-N 2 2 293.415 0.743 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)CC[N@@H+]1C ZINC000332746928 389364477 /nfs/dbraw/zinc/36/44/77/389364477.db2.gz QFMUAOGJYZDCSS-RYUDHWBXSA-N 2 2 264.373 0.952 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)CC[N@H+]1C ZINC000332746928 389364480 /nfs/dbraw/zinc/36/44/80/389364480.db2.gz QFMUAOGJYZDCSS-RYUDHWBXSA-N 2 2 264.373 0.952 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC000266273661 389365842 /nfs/dbraw/zinc/36/58/42/389365842.db2.gz YBOBLZTUIZSJOF-OLZOCXBDSA-N 2 2 280.372 0.187 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC000266273661 389365844 /nfs/dbraw/zinc/36/58/44/389365844.db2.gz YBOBLZTUIZSJOF-OLZOCXBDSA-N 2 2 280.372 0.187 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1NCC[N@H+](C)C1CCCC1 ZINC000422739715 389463369 /nfs/dbraw/zinc/46/33/69/389463369.db2.gz LOYOFZKBQSLARS-KGLIPLIRSA-N 2 2 283.416 0.744 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1NCC[N@@H+](C)C1CCCC1 ZINC000422739715 389463374 /nfs/dbraw/zinc/46/33/74/389463374.db2.gz LOYOFZKBQSLARS-KGLIPLIRSA-N 2 2 283.416 0.744 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCC[N@@H+]1CCC[C@H](C)C1 ZINC000422860702 389493855 /nfs/dbraw/zinc/49/38/55/389493855.db2.gz MRQMNVIBBUOLRJ-BFHYXJOUSA-N 2 2 283.416 0.602 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCC[N@H+]1CCC[C@H](C)C1 ZINC000422860702 389493857 /nfs/dbraw/zinc/49/38/57/389493857.db2.gz MRQMNVIBBUOLRJ-BFHYXJOUSA-N 2 2 283.416 0.602 20 0 CCADLP O=C(NC[C@H]1CCC[NH2+]C1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000422760408 389468996 /nfs/dbraw/zinc/46/89/96/389468996.db2.gz MDBSXDAIJIRQJG-LBPRGKRZSA-N 2 2 285.351 0.997 20 0 CCADLP CC(C)[NH2+]C1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000170987060 389469863 /nfs/dbraw/zinc/46/98/63/389469863.db2.gz DNIJQDCEPLONGC-UHFFFAOYSA-N 2 2 263.407 0.127 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000422770049 389471265 /nfs/dbraw/zinc/47/12/65/389471265.db2.gz WGHTWHDMKSMTIO-KGLIPLIRSA-N 2 2 283.416 0.603 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000422770049 389471269 /nfs/dbraw/zinc/47/12/69/389471269.db2.gz WGHTWHDMKSMTIO-KGLIPLIRSA-N 2 2 283.416 0.603 20 0 CCADLP C[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)CN1CCOCC1 ZINC000422774049 389472715 /nfs/dbraw/zinc/47/27/15/389472715.db2.gz ZVRXSCKEXXPROO-KBMXLJTQSA-N 2 2 297.443 0.311 20 0 CCADLP CC[C@H](O)C[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000171649216 389478228 /nfs/dbraw/zinc/47/82/28/389478228.db2.gz DBTGLVAFDQHSCC-LBPRGKRZSA-N 2 2 252.362 0.309 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C[C@H](C)[NH2+]1 ZINC000422816075 389480321 /nfs/dbraw/zinc/48/03/21/389480321.db2.gz DGNSUDJCXNWHML-GUTXKFCHSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C[C@H](C)[NH2+]1 ZINC000422816075 389480325 /nfs/dbraw/zinc/48/03/25/389480325.db2.gz DGNSUDJCXNWHML-GUTXKFCHSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@H]1CN(c2cc(NC3CC3)[nH+]cn2)CC[N@@H+]1CCO ZINC000413250515 389485097 /nfs/dbraw/zinc/48/50/97/389485097.db2.gz OGLCSYZJSIZDBZ-NSHDSACASA-N 2 2 277.372 0.554 20 0 CCADLP C[C@H]1CN(c2cc(NC3CC3)[nH+]cn2)CC[N@H+]1CCO ZINC000413250515 389485100 /nfs/dbraw/zinc/48/51/00/389485100.db2.gz OGLCSYZJSIZDBZ-NSHDSACASA-N 2 2 277.372 0.554 20 0 CCADLP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422848265 389490905 /nfs/dbraw/zinc/49/09/05/389490905.db2.gz AQXXFEHVLAEAEX-MJBXVCDLSA-N 3 2 257.422 0.931 20 0 CCADLP CC(C)N(C)C(=O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000411407769 389428189 /nfs/dbraw/zinc/42/81/89/389428189.db2.gz KDZVXTXSFIFMCY-UHFFFAOYSA-N 2 2 298.475 0.811 20 0 CCADLP CC(C)N(C)C(=O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000411407769 389428192 /nfs/dbraw/zinc/42/81/92/389428192.db2.gz KDZVXTXSFIFMCY-UHFFFAOYSA-N 2 2 298.475 0.811 20 0 CCADLP CC(C)N(C)C(=O)CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000411407769 389428196 /nfs/dbraw/zinc/42/81/96/389428196.db2.gz KDZVXTXSFIFMCY-UHFFFAOYSA-N 2 2 298.475 0.811 20 0 CCADLP CC(C)N(C)C(=O)CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000411407769 389428198 /nfs/dbraw/zinc/42/81/98/389428198.db2.gz KDZVXTXSFIFMCY-UHFFFAOYSA-N 2 2 298.475 0.811 20 0 CCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCC1([NH3+])CCC1 ZINC000333673172 389439517 /nfs/dbraw/zinc/43/95/17/389439517.db2.gz NLRHLARBPDMZOA-QWHCGFSZSA-N 2 2 296.415 0.372 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)[C@@H](n2cncn2)C1 ZINC000333852646 389446817 /nfs/dbraw/zinc/44/68/17/389446817.db2.gz QHAUIMRDOPXJCM-RFGFWPKPSA-N 2 2 279.388 0.586 20 0 CCADLP CC(C)(CC[NH3+])NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000422623617 389447882 /nfs/dbraw/zinc/44/78/82/389447882.db2.gz WWZDHEIRUGIQLO-LBPRGKRZSA-N 2 2 284.404 0.276 20 0 CCADLP CC(C)(CC[NH3+])NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000422623617 389447886 /nfs/dbraw/zinc/44/78/86/389447886.db2.gz WWZDHEIRUGIQLO-LBPRGKRZSA-N 2 2 284.404 0.276 20 0 CCADLP CC[C@H]1CN(C(=O)[C@@H]2CSC[NH2+]2)CC[N@@H+]1CCOC ZINC000168071565 389448355 /nfs/dbraw/zinc/44/83/55/389448355.db2.gz ICMYTYDPTCFLIL-RYUDHWBXSA-N 2 2 287.429 0.218 20 0 CCADLP CC[C@H]1CN(C(=O)[C@@H]2CSC[NH2+]2)CC[N@H+]1CCOC ZINC000168071565 389448358 /nfs/dbraw/zinc/44/83/58/389448358.db2.gz ICMYTYDPTCFLIL-RYUDHWBXSA-N 2 2 287.429 0.218 20 0 CCADLP COCCN1CCC[C@@H]1C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422701939 389453644 /nfs/dbraw/zinc/45/36/44/389453644.db2.gz CSJHTVBRKAVSNC-RRFJBIMHSA-N 2 2 285.432 0.454 20 0 CCADLP CC1(C)COCCN1CC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422716150 389457402 /nfs/dbraw/zinc/45/74/02/389457402.db2.gz UDDYCVTZRMKHCU-HUUCEWRRSA-N 2 2 297.443 0.454 20 0 CCADLP CCc1nn(C)c(OC)c1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422991205 389518329 /nfs/dbraw/zinc/51/83/29/389518329.db2.gz ORXAZNUCQZLGRW-CMPLNLGQSA-N 2 2 252.362 0.961 20 0 CCADLP C[C@@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)[C@@H]1CCCC[NH2+]1 ZINC000423023036 389523922 /nfs/dbraw/zinc/52/39/22/389523922.db2.gz GOVDDWAVNUYVBR-SNPRPXQTSA-N 2 2 267.417 0.970 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423040716 389526447 /nfs/dbraw/zinc/52/64/47/389526447.db2.gz UWUYZGGMXAMAJK-FPCVCCKLSA-N 3 2 281.444 0.953 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000423040716 389526452 /nfs/dbraw/zinc/52/64/52/389526452.db2.gz UWUYZGGMXAMAJK-FPCVCCKLSA-N 3 2 281.444 0.953 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423040719 389526764 /nfs/dbraw/zinc/52/67/64/389526764.db2.gz UWUYZGGMXAMAJK-QXSJWSMHSA-N 3 2 281.444 0.953 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423040719 389526768 /nfs/dbraw/zinc/52/67/68/389526768.db2.gz UWUYZGGMXAMAJK-QXSJWSMHSA-N 3 2 281.444 0.953 20 0 CCADLP Cn1c[nH+]cc1CN1CCC([N@H+](C)CCCO)CC1 ZINC000177079142 389570247 /nfs/dbraw/zinc/57/02/47/389570247.db2.gz IVJJEDOJVBWKCL-UHFFFAOYSA-N 2 2 266.389 0.699 20 0 CCADLP Cn1c[nH+]cc1CN1CCC([N@@H+](C)CCCO)CC1 ZINC000177079142 389570250 /nfs/dbraw/zinc/57/02/50/389570250.db2.gz IVJJEDOJVBWKCL-UHFFFAOYSA-N 2 2 266.389 0.699 20 0 CCADLP CC(C)N1CC[C@H]([NH+]2CCC([N@H+](C)CCCO)CC2)C1=O ZINC000175236343 389538722 /nfs/dbraw/zinc/53/87/22/389538722.db2.gz ZJEQBEGZUCSEIJ-HNNXBMFYSA-N 2 2 297.443 0.774 20 0 CCADLP CC(C)N1CC[C@H]([NH+]2CCC([N@@H+](C)CCCO)CC2)C1=O ZINC000175236343 389538723 /nfs/dbraw/zinc/53/87/23/389538723.db2.gz ZJEQBEGZUCSEIJ-HNNXBMFYSA-N 2 2 297.443 0.774 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@@H](C)C[N@H+](C)C(C)C ZINC000423122700 389538831 /nfs/dbraw/zinc/53/88/31/389538831.db2.gz KZQZTXNGAOZUDH-RWMBFGLXSA-N 2 2 271.405 0.598 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@@H](C)C[N@@H+](C)C(C)C ZINC000423122700 389538833 /nfs/dbraw/zinc/53/88/33/389538833.db2.gz KZQZTXNGAOZUDH-RWMBFGLXSA-N 2 2 271.405 0.598 20 0 CCADLP CCCC[N@H+](C)C[C@@H](C)N[C@H]1CC[NH2+][C@H]1C(=O)OCC ZINC000423130434 389539515 /nfs/dbraw/zinc/53/95/15/389539515.db2.gz YIPABDBBCPRJGG-HZSPNIEDSA-N 2 2 285.432 0.990 20 0 CCADLP CCCC[N@@H+](C)C[C@@H](C)N[C@H]1CC[NH2+][C@H]1C(=O)OCC ZINC000423130434 389539519 /nfs/dbraw/zinc/53/95/19/389539519.db2.gz YIPABDBBCPRJGG-HZSPNIEDSA-N 2 2 285.432 0.990 20 0 CCADLP OCC[N@@H+]1CCCC[C@@H]1CN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423142402 389541590 /nfs/dbraw/zinc/54/15/90/389541590.db2.gz AJPDQAKVAWAIRU-OWCLPIDISA-N 2 2 297.443 0.190 20 0 CCADLP OCC[N@H+]1CCCC[C@@H]1CN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423142402 389541593 /nfs/dbraw/zinc/54/15/93/389541593.db2.gz AJPDQAKVAWAIRU-OWCLPIDISA-N 2 2 297.443 0.190 20 0 CCADLP OCCN1CCCC[C@@H]1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423142402 389541598 /nfs/dbraw/zinc/54/15/98/389541598.db2.gz AJPDQAKVAWAIRU-OWCLPIDISA-N 2 2 297.443 0.190 20 0 CCADLP C[C@H](CCCO)C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423159122 389545436 /nfs/dbraw/zinc/54/54/36/389545436.db2.gz OUPPFSUCFDVYQS-XBFCOCLRSA-N 2 2 256.390 0.752 20 0 CCADLP CCO[C@H]1C[C@@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000423159793 389547194 /nfs/dbraw/zinc/54/71/94/389547194.db2.gz GLBXTGVAEPFBOT-XJFOESAGSA-N 2 2 254.374 0.911 20 0 CCADLP CON(C)C(=O)CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000374110582 389547487 /nfs/dbraw/zinc/54/74/87/389547487.db2.gz XAHHGXLNPNLKSY-GFCCVEGCSA-N 2 2 266.345 0.930 20 0 CCADLP CON(C)C(=O)CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000374110582 389547491 /nfs/dbraw/zinc/54/74/91/389547491.db2.gz XAHHGXLNPNLKSY-GFCCVEGCSA-N 2 2 266.345 0.930 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000423187934 389550366 /nfs/dbraw/zinc/55/03/66/389550366.db2.gz YOXYWEFUCUXOJC-KGLIPLIRSA-N 3 2 254.422 0.212 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000423187934 389550369 /nfs/dbraw/zinc/55/03/69/389550369.db2.gz YOXYWEFUCUXOJC-KGLIPLIRSA-N 3 2 254.422 0.212 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1NCC1([NH3+])CCCCCC1 ZINC000423204545 389553153 /nfs/dbraw/zinc/55/31/53/389553153.db2.gz UPXXKUGTFSNOFW-STQMWFEESA-N 2 2 283.416 0.921 20 0 CCADLP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CC1([NH3+])CCCCCC1 ZINC000423204545 389553156 /nfs/dbraw/zinc/55/31/56/389553156.db2.gz UPXXKUGTFSNOFW-STQMWFEESA-N 2 2 283.416 0.921 20 0 CCADLP CCS(=O)(=O)NCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374210201 389559135 /nfs/dbraw/zinc/55/91/35/389559135.db2.gz UAQAPRYYQIGLBQ-UHFFFAOYSA-N 2 2 286.401 0.528 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000278857449 389562956 /nfs/dbraw/zinc/56/29/56/389562956.db2.gz LVOZERDGNNCMCN-LLVKDONJSA-N 2 2 280.372 0.345 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCO[C@H](C(C)C)C2)CC1 ZINC000351093661 389563961 /nfs/dbraw/zinc/56/39/61/389563961.db2.gz BKERKUAVWAVWQZ-GJZGRUSLSA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCO[C@H](C(C)C)C2)CC1 ZINC000351093661 389563963 /nfs/dbraw/zinc/56/39/63/389563963.db2.gz BKERKUAVWAVWQZ-GJZGRUSLSA-N 2 2 297.443 0.896 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000422876705 389497555 /nfs/dbraw/zinc/49/75/55/389497555.db2.gz GSQKXQLEGLKCEF-XDQVBPFNSA-N 2 2 281.400 0.496 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000422876705 389497558 /nfs/dbraw/zinc/49/75/58/389497558.db2.gz GSQKXQLEGLKCEF-XDQVBPFNSA-N 2 2 281.400 0.496 20 0 CCADLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)[C@H]1CCCC[NH2+]1 ZINC000422888570 389500037 /nfs/dbraw/zinc/50/00/37/389500037.db2.gz NIPKFNPLHYNGOJ-RRFJBIMHSA-N 3 2 296.459 0.837 20 0 CCADLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)[C@H]1CCCC[NH2+]1 ZINC000422888570 389500041 /nfs/dbraw/zinc/50/00/41/389500041.db2.gz NIPKFNPLHYNGOJ-RRFJBIMHSA-N 3 2 296.459 0.837 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccnc(C)n3)C2)CC1 ZINC000373655171 389504257 /nfs/dbraw/zinc/50/42/57/389504257.db2.gz PGLFCUBCYFCXSF-MRXNPFEDSA-N 2 2 289.427 0.997 20 0 CCADLP COCC[N@H+](C)CCN[C@@H](C)c1c[nH+]ccc1N ZINC000422910127 389504401 /nfs/dbraw/zinc/50/44/01/389504401.db2.gz PVJJUYBGVNHPAX-NSHDSACASA-N 2 2 252.362 0.723 20 0 CCADLP COCC[N@@H+](C)CCN[C@@H](C)c1c[nH+]ccc1N ZINC000422910127 389504403 /nfs/dbraw/zinc/50/44/03/389504403.db2.gz PVJJUYBGVNHPAX-NSHDSACASA-N 2 2 252.362 0.723 20 0 CCADLP COCCN(C)CC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422910127 389504406 /nfs/dbraw/zinc/50/44/06/389504406.db2.gz PVJJUYBGVNHPAX-NSHDSACASA-N 2 2 252.362 0.723 20 0 CCADLP C(CN1CC[NH+](C2CC2)CC1)C[NH+]1CCOCC1 ZINC000173579246 389504989 /nfs/dbraw/zinc/50/49/89/389504989.db2.gz JXXDLACZPSKOEX-UHFFFAOYSA-N 2 2 253.390 0.489 20 0 CCADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000414967627 389648941 /nfs/dbraw/zinc/64/89/41/389648941.db2.gz QJCKILGQCCTQCM-INIZCTEOSA-N 3 2 285.395 0.866 20 0 CCADLP CC[C@H](C)[C@H](O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414356272 389612968 /nfs/dbraw/zinc/61/29/68/389612968.db2.gz YYMMZZYPAPMIBW-CMPLNLGQSA-N 2 2 254.378 0.983 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@](C)(O)C(F)(F)F)n1C ZINC000414365391 389613117 /nfs/dbraw/zinc/61/31/17/389613117.db2.gz LGZRCEDEDUGGAW-SNVBAGLBSA-N 2 2 280.294 0.889 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000423931377 389615577 /nfs/dbraw/zinc/61/55/77/389615577.db2.gz MCACUMAXRMQHHV-WUHRBBMRSA-N 2 2 269.389 0.291 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000423931377 389615580 /nfs/dbraw/zinc/61/55/80/389615580.db2.gz MCACUMAXRMQHHV-WUHRBBMRSA-N 2 2 269.389 0.291 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)C1CC1 ZINC000351573745 389618183 /nfs/dbraw/zinc/61/81/83/389618183.db2.gz LUPFLLQJHOYVGB-ZDUSSCGKSA-N 2 2 299.459 0.972 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)C1CC1 ZINC000351573745 389618185 /nfs/dbraw/zinc/61/81/85/389618185.db2.gz LUPFLLQJHOYVGB-ZDUSSCGKSA-N 2 2 299.459 0.972 20 0 CCADLP Cc1c([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cnn1C ZINC000351591509 389624656 /nfs/dbraw/zinc/62/46/56/389624656.db2.gz FJZLPXRHFRJNGS-GXFFZTMASA-N 2 2 266.389 0.834 20 0 CCADLP Cc1c([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cnn1C ZINC000351591509 389624659 /nfs/dbraw/zinc/62/46/59/389624659.db2.gz FJZLPXRHFRJNGS-GXFFZTMASA-N 2 2 266.389 0.834 20 0 CCADLP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000414681726 389626507 /nfs/dbraw/zinc/62/65/07/389626507.db2.gz PTXQKMPWZIHOQJ-CQSZACIVSA-N 2 2 297.443 0.945 20 0 CCADLP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000414681726 389626510 /nfs/dbraw/zinc/62/65/10/389626510.db2.gz PTXQKMPWZIHOQJ-CQSZACIVSA-N 2 2 297.443 0.945 20 0 CCADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000414960526 389647922 /nfs/dbraw/zinc/64/79/22/389647922.db2.gz HCMFVUZWVYJULW-INIZCTEOSA-N 2 2 285.395 0.866 20 0 CCADLP C[C@H](C[S@@](C)=O)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351605113 389629210 /nfs/dbraw/zinc/62/92/10/389629210.db2.gz NETUPWHSQBAPMN-YOIRWDDOSA-N 2 2 262.419 0.140 20 0 CCADLP C[C@H](C[S@@](C)=O)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351605113 389629215 /nfs/dbraw/zinc/62/92/15/389629215.db2.gz NETUPWHSQBAPMN-YOIRWDDOSA-N 2 2 262.419 0.140 20 0 CCADLP C[C@H](C[S@@](C)=O)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351605113 389629218 /nfs/dbraw/zinc/62/92/18/389629218.db2.gz NETUPWHSQBAPMN-YOIRWDDOSA-N 2 2 262.419 0.140 20 0 CCADLP C[C@H](C[S@@](C)=O)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351605113 389629220 /nfs/dbraw/zinc/62/92/20/389629220.db2.gz NETUPWHSQBAPMN-YOIRWDDOSA-N 2 2 262.419 0.140 20 0 CCADLP [NH3+]CCC[N@@H+](CC(=O)N1CCCC1)C[C@@H]1CCCO1 ZINC000414718165 389632356 /nfs/dbraw/zinc/63/23/56/389632356.db2.gz YRYBQRUJJHSCFU-ZDUSSCGKSA-N 2 2 269.389 0.439 20 0 CCADLP [NH3+]CCC[N@H+](CC(=O)N1CCCC1)C[C@@H]1CCCO1 ZINC000414718165 389632359 /nfs/dbraw/zinc/63/23/59/389632359.db2.gz YRYBQRUJJHSCFU-ZDUSSCGKSA-N 2 2 269.389 0.439 20 0 CCADLP C[NH2+]CC[NH2+][C@H](C)Cn1cc(Br)cn1 ZINC000414824037 389639243 /nfs/dbraw/zinc/63/92/43/389639243.db2.gz JNSMTYDNAQMNRP-MRVPVSSYSA-N 2 2 261.167 0.843 20 0 CCADLP COCC[NH2+]CC[NH2+]Cc1ccc(C(=O)OC)[nH]1 ZINC000414869405 389641252 /nfs/dbraw/zinc/64/12/52/389641252.db2.gz GDWOYYJSWVEPQB-UHFFFAOYSA-N 2 2 255.318 0.127 20 0 CCADLP CCCNC(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000374425941 389578816 /nfs/dbraw/zinc/57/88/16/389578816.db2.gz ATHALLMGDZSGIR-BFHYXJOUSA-N 2 2 283.416 0.696 20 0 CCADLP CCCNC(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000374425941 389578819 /nfs/dbraw/zinc/57/88/19/389578819.db2.gz ATHALLMGDZSGIR-BFHYXJOUSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cc(C(N)=O)cs1 ZINC000414929725 389645359 /nfs/dbraw/zinc/64/53/59/389645359.db2.gz OJQFZZSRGLDMHK-KCJUWKMLSA-N 2 2 253.371 0.935 20 0 CCADLP CC[NH+](CC)CC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413967674 389587099 /nfs/dbraw/zinc/58/70/99/389587099.db2.gz QJFHWCIYLBHORT-UHFFFAOYSA-N 2 2 271.405 0.555 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000423479283 389592783 /nfs/dbraw/zinc/59/27/83/389592783.db2.gz NKVSKAZUKAFJDN-CHWSQXEVSA-N 2 2 269.389 0.341 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000423479283 389592786 /nfs/dbraw/zinc/59/27/86/389592786.db2.gz NKVSKAZUKAFJDN-CHWSQXEVSA-N 2 2 269.389 0.341 20 0 CCADLP [NH3+]C1(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CCC1 ZINC000423501639 389596768 /nfs/dbraw/zinc/59/67/68/389596768.db2.gz BNFUOFNCNDMCAL-ZDUSSCGKSA-N 2 2 281.400 0.627 20 0 CCADLP [NH3+]C1(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CCC1 ZINC000423501639 389596770 /nfs/dbraw/zinc/59/67/70/389596770.db2.gz BNFUOFNCNDMCAL-ZDUSSCGKSA-N 2 2 281.400 0.627 20 0 CCADLP CN(C)[C@@H](C(=O)N1CC[NH+](C2CC2)CC1)c1c[nH+]cn1C ZINC000280671222 389604060 /nfs/dbraw/zinc/60/40/60/389604060.db2.gz BOIPWECFSZANLA-CQSZACIVSA-N 2 2 291.399 0.329 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000414978858 389650667 /nfs/dbraw/zinc/65/06/67/389650667.db2.gz SPFIRGYVLKBIHK-CQSZACIVSA-N 3 2 268.449 0.743 20 0 CCADLP CC(C)N(C)c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)cn1 ZINC000414982587 389650820 /nfs/dbraw/zinc/65/08/20/389650820.db2.gz ZDUJVBQXTDKDJQ-HNNXBMFYSA-N 2 2 291.443 0.919 20 0 CCADLP COC(=O)COc1cccc(C[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000415083559 389655641 /nfs/dbraw/zinc/65/56/41/389655641.db2.gz PVFXFYHEGVGWIG-GFCCVEGCSA-N 2 2 264.325 0.690 20 0 CCADLP COc1cc(C)[nH+]c(CNC[C@H]2C[NH2+]CCO2)c1 ZINC000415097150 389658809 /nfs/dbraw/zinc/65/88/09/389658809.db2.gz RSNXGBOOYCXKKU-CYBMUJFWSA-N 2 2 251.330 0.477 20 0 CCADLP COC(=O)COc1ccc(C[N@H+](C)CC[NH3+])cc1 ZINC000415105073 389659674 /nfs/dbraw/zinc/65/96/74/389659674.db2.gz HSDXRSDSGJQLDW-UHFFFAOYSA-N 2 2 252.314 0.629 20 0 CCADLP COC(=O)COc1ccc(C[N@@H+](C)CC[NH3+])cc1 ZINC000415105073 389659678 /nfs/dbraw/zinc/65/96/78/389659678.db2.gz HSDXRSDSGJQLDW-UHFFFAOYSA-N 2 2 252.314 0.629 20 0 CCADLP Cc1[nH+]c2ccccn2c1CN(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000415106232 389659715 /nfs/dbraw/zinc/65/97/15/389659715.db2.gz UBYXVSTWIGZVMX-AAEUAGOBSA-N 2 2 260.341 0.407 20 0 CCADLP Cc1nnc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)CC(C)(C)[NH3+])o1 ZINC000415115950 389660772 /nfs/dbraw/zinc/66/07/72/389660772.db2.gz YTAIJZFXGVYVPS-QWRGUYRKSA-N 2 2 285.367 0.964 20 0 CCADLP Cc1nnc(N2C[C@@H](F)C[C@H]2C[N@H+](C)CC(C)(C)[NH3+])o1 ZINC000415115950 389660774 /nfs/dbraw/zinc/66/07/74/389660774.db2.gz YTAIJZFXGVYVPS-QWRGUYRKSA-N 2 2 285.367 0.964 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)CC(C)(C)O1 ZINC000180448112 389670738 /nfs/dbraw/zinc/67/07/38/389670738.db2.gz UCONDBFQWWUMRT-LBPRGKRZSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CC(C)(C)O1 ZINC000180448112 389670741 /nfs/dbraw/zinc/67/07/41/389670741.db2.gz UCONDBFQWWUMRT-LBPRGKRZSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@](C)([NH2+]CCC(=O)N1CC[NH+](C)CC1)C(=O)OC ZINC000428309860 389691839 /nfs/dbraw/zinc/69/18/39/389691839.db2.gz MGLYPCLCVWFAHA-AWEZNQCLSA-N 2 2 285.388 0.082 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000351855277 389699085 /nfs/dbraw/zinc/69/90/85/389699085.db2.gz SIJYZXAIFREHRK-ZWNOBZJWSA-N 2 2 265.401 0.960 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000351855277 389699088 /nfs/dbraw/zinc/69/90/88/389699088.db2.gz SIJYZXAIFREHRK-ZWNOBZJWSA-N 2 2 265.401 0.960 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)n(C)n1 ZINC000351856733 389699954 /nfs/dbraw/zinc/69/99/54/389699954.db2.gz VYJSTTMQAHWRRO-MNOVXSKESA-N 2 2 265.361 0.336 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)n(C)n1 ZINC000351856733 389699960 /nfs/dbraw/zinc/69/99/60/389699960.db2.gz VYJSTTMQAHWRRO-MNOVXSKESA-N 2 2 265.361 0.336 20 0 CCADLP C[NH+](C)[C@@H]1CCCN(CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000429671990 389764321 /nfs/dbraw/zinc/76/43/21/389764321.db2.gz PUVXQFQTGHIAKE-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP CN(C)[C@@H]1CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000429671990 389764323 /nfs/dbraw/zinc/76/43/23/389764323.db2.gz PUVXQFQTGHIAKE-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP CN(C)[C@@H]1CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000429671990 389764325 /nfs/dbraw/zinc/76/43/25/389764325.db2.gz PUVXQFQTGHIAKE-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C[C@@H]1CCCO1 ZINC000388823675 389770736 /nfs/dbraw/zinc/77/07/36/389770736.db2.gz WMTCORJXQZJMII-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C[C@@H]1CCCO1 ZINC000388823675 389770737 /nfs/dbraw/zinc/77/07/37/389770737.db2.gz WMTCORJXQZJMII-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C[C@@H]1CCCO1 ZINC000388823675 389770738 /nfs/dbraw/zinc/77/07/38/389770738.db2.gz WMTCORJXQZJMII-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C[C@@H]1CCCO1 ZINC000388823675 389770739 /nfs/dbraw/zinc/77/07/39/389770739.db2.gz WMTCORJXQZJMII-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP CC(C)(CNC(=O)NC[C@H]([NH3+])C1CC1)[NH+]1CCOCC1 ZINC000416830258 389774874 /nfs/dbraw/zinc/77/48/74/389774874.db2.gz RABLVWNFIBECJY-LBPRGKRZSA-N 2 2 284.404 0.134 20 0 CCADLP CCCN(C(=O)NCCn1cc[nH+]c1)[C@@H]1CC[NH2+]C1 ZINC000416853180 389776394 /nfs/dbraw/zinc/77/63/94/389776394.db2.gz NQIGPSBTGFWWGB-GFCCVEGCSA-N 2 2 265.361 0.667 20 0 CCADLP [NH3+]C[C@H]1CC[C@H](CNC(=O)NCCn2cc[nH+]c2)CC1 ZINC000416851685 389776636 /nfs/dbraw/zinc/77/66/36/389776636.db2.gz LQMVMTSBHYVLTR-JOCQHMNTSA-N 2 2 279.388 0.947 20 0 CCADLP CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000397441388 389778089 /nfs/dbraw/zinc/77/80/89/389778089.db2.gz ZYNGWDQPWNJCFR-NEPJUHHUSA-N 2 2 285.388 0.574 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCOC(F)F ZINC000398245038 389781281 /nfs/dbraw/zinc/78/12/81/389781281.db2.gz GSQGCBHVQXLPRE-ZJUUUORDSA-N 2 2 252.305 0.972 20 0 CCADLP C[C@H](C[NH3+])CNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000416947842 389783468 /nfs/dbraw/zinc/78/34/68/389783468.db2.gz PHVAZKMMDSOPPC-LLVKDONJSA-N 2 2 275.356 0.771 20 0 CCADLP CCN(CC)c1ccc(CNC(=O)NCC[NH2+]C)c[nH+]1 ZINC000416996446 389787631 /nfs/dbraw/zinc/78/76/31/389787631.db2.gz WQRIIQPRNIYLLX-UHFFFAOYSA-N 2 2 279.388 0.946 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000417000635 389788185 /nfs/dbraw/zinc/78/81/85/389788185.db2.gz DGOGATJOYPMTOB-WCQYABFASA-N 2 2 291.399 0.945 20 0 CCADLP C[NH+](C)CCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000430248955 389789143 /nfs/dbraw/zinc/78/91/43/389789143.db2.gz HEJDIVSAPRTLKP-SNVBAGLBSA-N 2 2 251.334 0.059 20 0 CCADLP CN(C)c1ccc(CNC(=O)N[C@@H](C[NH3+])C2CC2)c[nH+]1 ZINC000417011102 389789521 /nfs/dbraw/zinc/78/95/21/389789521.db2.gz RAQUZLJEEMRAQE-LBPRGKRZSA-N 2 2 277.372 0.684 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000417020296 389790187 /nfs/dbraw/zinc/79/01/87/389790187.db2.gz RXOUUNQQAKGMDG-LBPRGKRZSA-N 2 2 277.372 0.684 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000417030666 389790923 /nfs/dbraw/zinc/79/09/23/389790923.db2.gz OXKUTWCVZPVPST-MCIONIFRSA-N 2 2 298.431 0.476 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000417026278 389790951 /nfs/dbraw/zinc/79/09/51/389790951.db2.gz YWPCBEOKEXGTNW-LBPRGKRZSA-N 2 2 277.372 0.684 20 0 CCADLP CCCC[C@H](C[NH3+])NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000417040804 389791677 /nfs/dbraw/zinc/79/16/77/389791677.db2.gz VYQORFCDQLCFDS-CHWSQXEVSA-N 2 2 286.420 0.524 20 0 CCADLP C[C@H](C[NH3+])N(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000417077745 389793791 /nfs/dbraw/zinc/79/37/91/389793791.db2.gz LNLSCFPUUQBCHD-LLVKDONJSA-N 2 2 265.361 0.872 20 0 CCADLP O=C(NCCCNc1cccc[nH+]1)NC[C@@H]1C[NH2+]CCO1 ZINC000417076241 389793837 /nfs/dbraw/zinc/79/38/37/389793837.db2.gz KCZKUUIDCBAQMP-LBPRGKRZSA-N 2 2 293.371 0.171 20 0 CCADLP CC(C)(C(=O)NCCNc1cc[nH+]cc1)[NH+]1CCOCC1 ZINC000351966330 389727316 /nfs/dbraw/zinc/72/73/16/389727316.db2.gz YUNPWDJLHUTZRW-UHFFFAOYSA-N 2 2 292.383 0.142 20 0 CCADLP [NH3+][C@H](CNC(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000416431064 389741706 /nfs/dbraw/zinc/74/17/06/389741706.db2.gz GRPIAVICDUKXSK-CQSZACIVSA-N 2 2 292.383 0.318 20 0 CCADLP CC(C)[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000400552571 389797835 /nfs/dbraw/zinc/79/78/35/389797835.db2.gz YFGUVVJAWQMMPL-JYJNAYRXSA-N 3 2 282.476 0.989 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3([NH3+])CCCC3)C2)CC1 ZINC000377197800 389745756 /nfs/dbraw/zinc/74/57/56/389745756.db2.gz NFWCQIQBKARLHF-CYBMUJFWSA-N 3 2 294.443 0.543 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3([NH3+])CCCC3)C2)CC1 ZINC000377197800 389745759 /nfs/dbraw/zinc/74/57/59/389745759.db2.gz NFWCQIQBKARLHF-CYBMUJFWSA-N 3 2 294.443 0.543 20 0 CCADLP Nc1ccc(NC(=O)c2n[nH]c3c2C[NH2+]CC3)c[nH+]1 ZINC000377389774 389748783 /nfs/dbraw/zinc/74/87/83/389748783.db2.gz IEKDZDUUGDACBV-UHFFFAOYSA-N 2 2 258.285 0.115 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CCC[C@H]2C[NH3+])CCO1 ZINC000418458784 389876278 /nfs/dbraw/zinc/87/62/78/389876278.db2.gz JIZKLOLVDBBYGR-BFHYXJOUSA-N 2 2 298.431 0.524 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCC[C@H]2C[NH3+])CCO1 ZINC000418458784 389876279 /nfs/dbraw/zinc/87/62/79/389876279.db2.gz JIZKLOLVDBBYGR-BFHYXJOUSA-N 2 2 298.431 0.524 20 0 CCADLP c1cc(NCC[NH+]2CCCC2)nc(N2CCOCC2)[nH+]1 ZINC000352405851 389805866 /nfs/dbraw/zinc/80/58/66/389805866.db2.gz CCCLPVYXBPEQEM-UHFFFAOYSA-N 2 2 277.372 0.243 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH2+][C@](C)(C[NH3+])C2CC2)C[C@@H](C)O1 ZINC000430588106 389809712 /nfs/dbraw/zinc/80/97/12/389809712.db2.gz CBYXRGOKIWVGDP-JTNHKYCSSA-N 2 2 269.389 0.339 20 0 CCADLP Cc1cc(NC(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)on1 ZINC000430582153 389809993 /nfs/dbraw/zinc/80/99/93/389809993.db2.gz KMLQGOSXZOYNGJ-LBPRGKRZSA-N 2 2 252.318 0.639 20 0 CCADLP CCc1nc(N2CC[C@@H]3OCC[NH2+][C@@H]3C2)cc(C)[nH+]1 ZINC000404262407 389811200 /nfs/dbraw/zinc/81/12/00/389811200.db2.gz OXLHCEYMGCAYEM-NEPJUHHUSA-N 2 2 262.357 0.915 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000417427566 389815156 /nfs/dbraw/zinc/81/51/56/389815156.db2.gz QLCKRXXRIJONHY-NSHDSACASA-N 2 2 272.393 0.134 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000417427566 389815160 /nfs/dbraw/zinc/81/51/60/389815160.db2.gz QLCKRXXRIJONHY-NSHDSACASA-N 2 2 272.393 0.134 20 0 CCADLP C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000417422423 389815279 /nfs/dbraw/zinc/81/52/79/389815279.db2.gz KYDBTVOKWGXLBZ-QWHCGFSZSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000417422423 389815280 /nfs/dbraw/zinc/81/52/80/389815280.db2.gz KYDBTVOKWGXLBZ-QWHCGFSZSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2csc(C[NH3+])n2)C[C@@H]1C ZINC000430732043 389821183 /nfs/dbraw/zinc/82/11/83/389821183.db2.gz YINZUWNEUOUSHD-VHSXEESVSA-N 2 2 298.412 0.129 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)c2csc(C[NH3+])n2)C[C@@H]1C ZINC000430732043 389821184 /nfs/dbraw/zinc/82/11/84/389821184.db2.gz YINZUWNEUOUSHD-VHSXEESVSA-N 2 2 298.412 0.129 20 0 CCADLP C[C@@H](NC(=O)NCC[N@@H+]1CCOCC1(C)C)[C@H](C)[NH3+] ZINC000417504113 389822506 /nfs/dbraw/zinc/82/25/06/389822506.db2.gz LHJZJWXATZGQLF-WDEREUQCSA-N 2 2 272.393 0.132 20 0 CCADLP C[C@@H](NC(=O)NCC[N@H+]1CCOCC1(C)C)[C@H](C)[NH3+] ZINC000417504113 389822511 /nfs/dbraw/zinc/82/25/11/389822511.db2.gz LHJZJWXATZGQLF-WDEREUQCSA-N 2 2 272.393 0.132 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000430753283 389823005 /nfs/dbraw/zinc/82/30/05/389823005.db2.gz HXAQLKHKIGQTBQ-GFCCVEGCSA-N 2 2 278.356 0.142 20 0 CCADLP C[C@H](CCC[NH3+])NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000417523766 389826145 /nfs/dbraw/zinc/82/61/45/389826145.db2.gz RRHHHTNDYVWKKL-AGIUHOORSA-N 2 2 286.420 0.522 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000417530347 389828270 /nfs/dbraw/zinc/82/82/70/389828270.db2.gz YGARKWPCAXUQSH-RWMBFGLXSA-N 2 2 286.420 0.378 20 0 CCADLP C[C@@H]([NH3+])CC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000430901447 389833277 /nfs/dbraw/zinc/83/32/77/389833277.db2.gz TVGSPMIXDNEAIR-GFCCVEGCSA-N 2 2 277.368 0.774 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH2+]C)C2)CC1 ZINC000430934842 389836952 /nfs/dbraw/zinc/83/69/52/389836952.db2.gz QULRQLHXKATTRO-ZIAGYGMSSA-N 3 2 282.432 0.080 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH2+]C)C2)CC1 ZINC000430934842 389836954 /nfs/dbraw/zinc/83/69/54/389836954.db2.gz QULRQLHXKATTRO-ZIAGYGMSSA-N 3 2 282.432 0.080 20 0 CCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@H]2C1 ZINC000352807902 389837347 /nfs/dbraw/zinc/83/73/47/389837347.db2.gz XJPYCINNDQWCRV-NFAWXSAZSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@H]2C1 ZINC000352807902 389837350 /nfs/dbraw/zinc/83/73/50/389837350.db2.gz XJPYCINNDQWCRV-NFAWXSAZSA-N 2 2 288.395 0.998 20 0 CCADLP C[C@@H]1C[N@@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)CC[C@H]1[NH3+] ZINC000430947318 389838326 /nfs/dbraw/zinc/83/83/26/389838326.db2.gz APUIROHYKVSMLC-RTXFEEFZSA-N 2 2 277.372 0.195 20 0 CCADLP C[C@@H]1C[N@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)CC[C@H]1[NH3+] ZINC000430947318 389838329 /nfs/dbraw/zinc/83/83/29/389838329.db2.gz APUIROHYKVSMLC-RTXFEEFZSA-N 2 2 277.372 0.195 20 0 CCADLP C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430944664 389838366 /nfs/dbraw/zinc/83/83/66/389838366.db2.gz NJJBHCXFIKHILK-OUAUKWLOSA-N 2 2 263.345 0.473 20 0 CCADLP C[C@@H](C(=O)Nc1ncccn1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430944664 389838369 /nfs/dbraw/zinc/83/83/69/389838369.db2.gz NJJBHCXFIKHILK-OUAUKWLOSA-N 2 2 263.345 0.473 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000352811663 389838581 /nfs/dbraw/zinc/83/85/81/389838581.db2.gz VFEXTXYMJUQXAE-OCCSQVGLSA-N 3 2 267.417 0.515 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000352811663 389838584 /nfs/dbraw/zinc/83/85/84/389838584.db2.gz VFEXTXYMJUQXAE-OCCSQVGLSA-N 3 2 267.417 0.515 20 0 CCADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C1 ZINC000430952626 389839330 /nfs/dbraw/zinc/83/93/30/389839330.db2.gz ZNPVDTYUTFDOQK-MELADBBJSA-N 2 2 281.400 0.437 20 0 CCADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C1 ZINC000430952626 389839335 /nfs/dbraw/zinc/83/93/35/389839335.db2.gz ZNPVDTYUTFDOQK-MELADBBJSA-N 2 2 281.400 0.437 20 0 CCADLP C[C@H]([NH3+])C1CC[NH+](Cc2cc(=O)n3[nH]ccc3n2)CC1 ZINC000430958782 389839939 /nfs/dbraw/zinc/83/99/39/389839939.db2.gz UHNUPSHOAYIMSO-JTQLQIEISA-N 2 2 275.356 0.582 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000431002073 389843193 /nfs/dbraw/zinc/84/31/93/389843193.db2.gz AQERPYSHGYZSCY-SNVBAGLBSA-N 2 2 252.318 0.103 20 0 CCADLP O=C(COC1C[NH2+]C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000431036663 389847498 /nfs/dbraw/zinc/84/74/98/389847498.db2.gz GUWRTAUAMMZRNF-UHFFFAOYSA-N 2 2 264.329 0.104 20 0 CCADLP O=C(C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)N1CCC1 ZINC000431168631 389851926 /nfs/dbraw/zinc/85/19/26/389851926.db2.gz PXKMMFNXGRBBHA-ZDUSSCGKSA-N 2 2 261.325 0.767 20 0 CCADLP O=C(C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)N1CCC1 ZINC000431168631 389851927 /nfs/dbraw/zinc/85/19/27/389851927.db2.gz PXKMMFNXGRBBHA-ZDUSSCGKSA-N 2 2 261.325 0.767 20 0 CCADLP O=C(C1CC[NH2+]CC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000353715812 389855327 /nfs/dbraw/zinc/85/53/27/389855327.db2.gz WXYOSGCESHAZHD-AWEZNQCLSA-N 2 2 281.400 0.309 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000353815489 389856037 /nfs/dbraw/zinc/85/60/37/389856037.db2.gz MNHUXAUAROPDOM-ILXRZTDVSA-N 2 2 295.427 0.600 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000353815489 389856039 /nfs/dbraw/zinc/85/60/39/389856039.db2.gz MNHUXAUAROPDOM-ILXRZTDVSA-N 2 2 295.427 0.600 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)CC1 ZINC000442761900 389861811 /nfs/dbraw/zinc/86/18/11/389861811.db2.gz ZAUVREAGLBXOCS-MELADBBJSA-N 3 2 282.432 0.208 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)CC1 ZINC000442761900 389861812 /nfs/dbraw/zinc/86/18/12/389861812.db2.gz ZAUVREAGLBXOCS-MELADBBJSA-N 3 2 282.432 0.208 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)n1 ZINC000442788712 389863178 /nfs/dbraw/zinc/86/31/78/389863178.db2.gz YJRZBHPBIROQRE-NXEZZACHSA-N 2 2 250.346 0.914 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)n1 ZINC000442788712 389863179 /nfs/dbraw/zinc/86/31/79/389863179.db2.gz YJRZBHPBIROQRE-NXEZZACHSA-N 2 2 250.346 0.914 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000447595150 389958601 /nfs/dbraw/zinc/95/86/01/389958601.db2.gz LMQCOHAZHUOSAJ-TZMCWYRMSA-N 3 2 255.406 0.637 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000447595150 389958602 /nfs/dbraw/zinc/95/86/02/389958602.db2.gz LMQCOHAZHUOSAJ-TZMCWYRMSA-N 3 2 255.406 0.637 20 0 CCADLP CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)[NH+](C)C ZINC000447655690 389961509 /nfs/dbraw/zinc/96/15/09/389961509.db2.gz DYNGFCAZBKALSB-UONOGXRCSA-N 2 2 285.432 0.752 20 0 CCADLP C[C@@H](O)CNc1cc(N2CC[NH2+][C@H](C)C2)nc[nH+]1 ZINC000420187433 389963987 /nfs/dbraw/zinc/96/39/87/389963987.db2.gz DJZILAOHWIIOKI-NXEZZACHSA-N 2 2 251.334 0.067 20 0 CCADLP C[C@H](O)CNc1cc(NCC[C@@H]2CCC[NH2+]C2)[nH+]cn1 ZINC000420190718 389964150 /nfs/dbraw/zinc/96/41/50/389964150.db2.gz HFMILFIIEUBUTC-RYUDHWBXSA-N 2 2 279.388 0.493 20 0 CCADLP C[C@H](O)CNc1cc(NCC[C@@H]2CCC[NH2+]C2)nc[nH+]1 ZINC000420190718 389964153 /nfs/dbraw/zinc/96/41/53/389964153.db2.gz HFMILFIIEUBUTC-RYUDHWBXSA-N 2 2 279.388 0.493 20 0 CCADLP C[NH2+]CCC[NH+]1CCN(Cc2cscn2)CC1 ZINC000435884956 389965407 /nfs/dbraw/zinc/96/54/07/389965407.db2.gz ZAGCISSUDAATGM-UHFFFAOYSA-N 2 2 254.403 0.870 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434386571 389931957 /nfs/dbraw/zinc/93/19/57/389931957.db2.gz WBRKZZFFVSXFBB-UHFFFAOYSA-N 2 2 269.389 0.309 20 0 CCADLP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCC(n2cc[nH+]c2)CC1 ZINC000446276461 389933152 /nfs/dbraw/zinc/93/31/52/389933152.db2.gz LIYNIBBFCKAFPY-CMPLNLGQSA-N 2 2 266.320 0.747 20 0 CCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000446419496 389935383 /nfs/dbraw/zinc/93/53/83/389935383.db2.gz WKWWYKNYHDCUES-RWMBFGLXSA-N 2 2 294.374 0.901 20 0 CCADLP CCOC1CC(O)(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000446840093 389941966 /nfs/dbraw/zinc/94/19/66/389941966.db2.gz XEQGRKXJDZPNTJ-VKITVTTRSA-N 2 2 268.401 0.989 20 0 CCADLP CCOC1CC(O)(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000446840093 389941969 /nfs/dbraw/zinc/94/19/69/389941969.db2.gz XEQGRKXJDZPNTJ-VKITVTTRSA-N 2 2 268.401 0.989 20 0 CCADLP O[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@@H]1O ZINC000420925713 390038335 /nfs/dbraw/zinc/03/83/35/390038335.db2.gz WORZMEMAAUYTMU-IYBDPMFKSA-N 2 2 292.379 0.056 20 0 CCADLP O[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@@H]1O ZINC000420925713 390038336 /nfs/dbraw/zinc/03/83/36/390038336.db2.gz WORZMEMAAUYTMU-IYBDPMFKSA-N 2 2 292.379 0.056 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000420278186 389976735 /nfs/dbraw/zinc/97/67/35/389976735.db2.gz UYDWTPAUJRRCFM-KGLIPLIRSA-N 3 2 282.432 0.352 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000420278186 389976738 /nfs/dbraw/zinc/97/67/38/389976738.db2.gz UYDWTPAUJRRCFM-KGLIPLIRSA-N 3 2 282.432 0.352 20 0 CCADLP Cc1cc(NC[C@@H]2C[NH2+]CCN2C)nc(-c2ccncc2)[nH+]1 ZINC000420277261 389977007 /nfs/dbraw/zinc/97/70/07/389977007.db2.gz QDBGHWZVTUUFPR-AWEZNQCLSA-N 2 2 298.394 0.584 20 0 CCADLP C[C@H](O)CNc1cc(NC[C@@H]2CCC[C@H]([NH3+])C2)[nH+]cn1 ZINC000420279103 389977516 /nfs/dbraw/zinc/97/75/16/389977516.db2.gz JQFBDRBEIAZRPP-TUAOUCFPSA-N 2 2 279.388 0.621 20 0 CCADLP C[C@H](O)CNc1cc(NC[C@@H]2CCC[C@H]([NH3+])C2)nc[nH+]1 ZINC000420279103 389977517 /nfs/dbraw/zinc/97/75/17/389977517.db2.gz JQFBDRBEIAZRPP-TUAOUCFPSA-N 2 2 279.388 0.621 20 0 CCADLP COC(=O)c1ccccc1NC(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000420343940 389986799 /nfs/dbraw/zinc/98/67/99/389986799.db2.gz XGRAGZPWYRPTHT-UHFFFAOYSA-N 2 2 291.351 0.833 20 0 CCADLP COC(=O)c1ccccc1NC(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000420343940 389986800 /nfs/dbraw/zinc/98/68/00/389986800.db2.gz XGRAGZPWYRPTHT-UHFFFAOYSA-N 2 2 291.351 0.833 20 0 CCADLP C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000420343928 389986846 /nfs/dbraw/zinc/98/68/46/389986846.db2.gz XDEUITTXBMGTPY-YWPUVAFDSA-N 2 2 296.415 0.812 20 0 CCADLP C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000420343928 389986848 /nfs/dbraw/zinc/98/68/48/389986848.db2.gz XDEUITTXBMGTPY-YWPUVAFDSA-N 2 2 296.415 0.812 20 0 CCADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C[NH3+])c1 ZINC000420350606 389988174 /nfs/dbraw/zinc/98/81/74/389988174.db2.gz HJDANMIBQIJYIE-TZMCWYRMSA-N 2 2 279.384 0.882 20 0 CCADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C[NH3+])c1 ZINC000420350606 389988175 /nfs/dbraw/zinc/98/81/75/389988175.db2.gz HJDANMIBQIJYIE-TZMCWYRMSA-N 2 2 279.384 0.882 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH3+])[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000420354510 389990080 /nfs/dbraw/zinc/99/00/80/389990080.db2.gz OMGVIPZGRWAWDD-JOYOIKCWSA-N 2 2 299.321 0.322 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH3+])[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000420354510 389990081 /nfs/dbraw/zinc/99/00/81/389990081.db2.gz OMGVIPZGRWAWDD-JOYOIKCWSA-N 2 2 299.321 0.322 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000420355537 389990393 /nfs/dbraw/zinc/99/03/93/389990393.db2.gz BYZOYVNQYPDZDZ-UMVBOHGHSA-N 3 2 282.432 0.127 20 0 CCADLP CCCNC(=O)NC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420358993 389991244 /nfs/dbraw/zinc/99/12/44/389991244.db2.gz KAASKTBAJLMMBR-GFCCVEGCSA-N 2 2 284.404 0.719 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420360362 389991264 /nfs/dbraw/zinc/99/12/64/389991264.db2.gz LYPWQTRSNZBNHE-CMPLNLGQSA-N 2 2 284.404 0.718 20 0 CCADLP Cn1cc[nH+]c1CN1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420365580 389992609 /nfs/dbraw/zinc/99/26/09/389992609.db2.gz SHRQDVIZTOHRMC-OAHLLOKOSA-N 3 2 291.443 0.927 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2CCO)[C@@H](C)O1 ZINC000449396930 389993689 /nfs/dbraw/zinc/99/36/89/389993689.db2.gz NLRQMKVWICCLIU-SYQHCUMBSA-N 2 2 256.390 0.989 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@H+]2CCO)[C@@H](C)O1 ZINC000449396930 389993690 /nfs/dbraw/zinc/99/36/90/389993690.db2.gz NLRQMKVWICCLIU-SYQHCUMBSA-N 2 2 256.390 0.989 20 0 CCADLP CN(C)C(=O)N[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000452004878 390005361 /nfs/dbraw/zinc/00/53/61/390005361.db2.gz BVYAGUXPXAQULJ-JSGCOSHPSA-N 2 2 298.431 0.177 20 0 CCADLP CN(C)C(=O)N[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000452004878 390005365 /nfs/dbraw/zinc/00/53/65/390005365.db2.gz BVYAGUXPXAQULJ-JSGCOSHPSA-N 2 2 298.431 0.177 20 0 CCADLP CN(C)C(=O)N[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000452004878 390005369 /nfs/dbraw/zinc/00/53/69/390005369.db2.gz BVYAGUXPXAQULJ-JSGCOSHPSA-N 2 2 298.431 0.177 20 0 CCADLP CN(C)C(=O)N[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000452004878 390005372 /nfs/dbraw/zinc/00/53/72/390005372.db2.gz BVYAGUXPXAQULJ-JSGCOSHPSA-N 2 2 298.431 0.177 20 0 CCADLP CN(C[C@H]1CCC[N@@H+]1C)c1cc[nH+]c(N2CCOCC2)n1 ZINC000420643912 390020078 /nfs/dbraw/zinc/02/00/78/390020078.db2.gz XWVZIWXFSXYVIZ-CYBMUJFWSA-N 2 2 291.399 0.844 20 0 CCADLP CN(C[C@H]1CCC[N@H+]1C)c1cc[nH+]c(N2CCOCC2)n1 ZINC000420643912 390020081 /nfs/dbraw/zinc/02/00/81/390020081.db2.gz XWVZIWXFSXYVIZ-CYBMUJFWSA-N 2 2 291.399 0.844 20 0 CCADLP CC[C@@H](C)[N@H+](C)CCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000488379123 390093325 /nfs/dbraw/zinc/09/33/25/390093325.db2.gz YVAQWBOJMKJKEK-SNVBAGLBSA-N 2 2 266.393 0.810 20 0 CCADLP CC[C@@H](C)[N@@H+](C)CCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000488379123 390093326 /nfs/dbraw/zinc/09/33/26/390093326.db2.gz YVAQWBOJMKJKEK-SNVBAGLBSA-N 2 2 266.393 0.810 20 0 CCADLP CC[N@H+](CCNc1nc(C)[nH+]c(N(C)C)n1)C(C)C ZINC000488378669 390093353 /nfs/dbraw/zinc/09/33/53/390093353.db2.gz XYVUXRZLQLTQOX-UHFFFAOYSA-N 2 2 266.393 0.810 20 0 CCADLP CC[N@@H+](CCNc1nc(C)[nH+]c(N(C)C)n1)C(C)C ZINC000488378669 390093354 /nfs/dbraw/zinc/09/33/54/390093354.db2.gz XYVUXRZLQLTQOX-UHFFFAOYSA-N 2 2 266.393 0.810 20 0 CCADLP Cc1nc(NC[C@H]2CCC[N@@H+]2C)nc(N(C)C)[nH+]1 ZINC000488375646 390093400 /nfs/dbraw/zinc/09/34/00/390093400.db2.gz BWNNXWKYWMLPAT-SNVBAGLBSA-N 2 2 250.350 0.174 20 0 CCADLP Cc1nc(NC[C@H]2CCC[N@H+]2C)nc(N(C)C)[nH+]1 ZINC000488375646 390093401 /nfs/dbraw/zinc/09/34/01/390093401.db2.gz BWNNXWKYWMLPAT-SNVBAGLBSA-N 2 2 250.350 0.174 20 0 CCADLP Cc1nc(NC[C@H](C)C[NH+]2CCCC2)nc(N(C)C)[nH+]1 ZINC000488386096 390093454 /nfs/dbraw/zinc/09/34/54/390093454.db2.gz FGXSBKWNTYBNBO-NSHDSACASA-N 2 2 278.404 0.812 20 0 CCADLP Cc1nc(N(C)C)nc(NC[C@H](C)C[NH+]2CCCC2)[nH+]1 ZINC000488386096 390093455 /nfs/dbraw/zinc/09/34/55/390093455.db2.gz FGXSBKWNTYBNBO-NSHDSACASA-N 2 2 278.404 0.812 20 0 CCADLP C[NH+](C)C/C=C\C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000491686464 390115985 /nfs/dbraw/zinc/11/59/85/390115985.db2.gz RDVJCFYURMCQRK-ALCCZGGFSA-N 2 2 288.395 0.844 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)NCCc1cn(C)c[nH+]1 ZINC000458195494 390054032 /nfs/dbraw/zinc/05/40/32/390054032.db2.gz HLQZKWMOAHKLCI-UHFFFAOYSA-N 2 2 267.377 0.602 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)NCCc1cn(C)c[nH+]1 ZINC000458195494 390054033 /nfs/dbraw/zinc/05/40/33/390054033.db2.gz HLQZKWMOAHKLCI-UHFFFAOYSA-N 2 2 267.377 0.602 20 0 CCADLP C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)CCn1cc[nH+]c1 ZINC000647823076 390182524 /nfs/dbraw/zinc/18/25/24/390182524.db2.gz CJEYQTKOAGFKLV-ZIAGYGMSSA-N 2 2 292.383 0.595 20 0 CCADLP C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)CCn1cc[nH+]c1 ZINC000647823076 390182529 /nfs/dbraw/zinc/18/25/29/390182529.db2.gz CJEYQTKOAGFKLV-ZIAGYGMSSA-N 2 2 292.383 0.595 20 0 CCADLP C[C@H](C(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000647830038 390184578 /nfs/dbraw/zinc/18/45/78/390184578.db2.gz JZDYSIUTFJXTRW-MJBXVCDLSA-N 2 2 282.432 0.173 20 0 CCADLP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)CCn1cc[nH+]c1 ZINC000647832648 390185067 /nfs/dbraw/zinc/18/50/67/390185067.db2.gz CGIODFFTZUKLCO-NEPJUHHUSA-N 2 2 250.346 0.824 20 0 CCADLP CN(CCC[NH+](C)C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000538315640 390191385 /nfs/dbraw/zinc/19/13/85/390191385.db2.gz LDGBUTCQWDXIAN-LBPRGKRZSA-N 2 2 264.373 0.856 20 0 CCADLP Cc1cncc(/C=C\C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000493271520 390122140 /nfs/dbraw/zinc/12/21/40/390122140.db2.gz YVPHYIMRWSCUKZ-VQTKUKTRSA-N 2 2 274.368 0.505 20 0 CCADLP Cc1cncc(/C=C\C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000493271520 390122141 /nfs/dbraw/zinc/12/21/41/390122141.db2.gz YVPHYIMRWSCUKZ-VQTKUKTRSA-N 2 2 274.368 0.505 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493499504 390127099 /nfs/dbraw/zinc/12/70/99/390127099.db2.gz ZQIKSOWQMUUGFY-SNAWJCMRSA-N 2 2 266.345 0.507 20 0 CCADLP COCC[N@@H+](C)CCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493499504 390127100 /nfs/dbraw/zinc/12/71/00/390127100.db2.gz ZQIKSOWQMUUGFY-SNAWJCMRSA-N 2 2 266.345 0.507 20 0 CCADLP CC(C)OC[C@H](O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000538096280 390188227 /nfs/dbraw/zinc/18/82/27/390188227.db2.gz IJZXQZKOTNUVHN-QWHCGFSZSA-N 2 2 267.373 0.995 20 0 CCADLP CC(C)OC[C@H](O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000538096280 390188229 /nfs/dbraw/zinc/18/82/29/390188229.db2.gz IJZXQZKOTNUVHN-QWHCGFSZSA-N 2 2 267.373 0.995 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH+]1CCSCC1 ZINC000579002544 390133561 /nfs/dbraw/zinc/13/35/61/390133561.db2.gz PUKYUFLXTXDNOU-LLVKDONJSA-N 2 2 282.413 0.753 20 0 CCADLP COCCOCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000579187499 390149033 /nfs/dbraw/zinc/14/90/33/390149033.db2.gz JNGNMAPYBHHEHD-UHFFFAOYSA-N 2 2 254.334 0.195 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)Cc1c[nH+]cn1C ZINC000579273213 390159839 /nfs/dbraw/zinc/15/98/39/390159839.db2.gz JIOGTTWDUVLHLV-LLVKDONJSA-N 2 2 250.346 0.515 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)Cc1c[nH+]cn1C ZINC000579273213 390159842 /nfs/dbraw/zinc/15/98/42/390159842.db2.gz JIOGTTWDUVLHLV-LLVKDONJSA-N 2 2 250.346 0.515 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000579369783 390168007 /nfs/dbraw/zinc/16/80/07/390168007.db2.gz NFIFWILWBNYGJC-CQSZACIVSA-N 2 2 285.432 0.489 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000579369783 390168008 /nfs/dbraw/zinc/16/80/08/390168008.db2.gz NFIFWILWBNYGJC-CQSZACIVSA-N 2 2 285.432 0.489 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)NC(=O)CCc1[nH]cc[nH+]1 ZINC000579372565 390168013 /nfs/dbraw/zinc/16/80/13/390168013.db2.gz GHWPVQNRPPGTGU-GFCCVEGCSA-N 2 2 282.388 0.551 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)C1CC1 ZINC000580074194 390217795 /nfs/dbraw/zinc/21/77/95/390217795.db2.gz IFHKYFNRDVBVTF-BNOWGMLFSA-N 2 2 288.432 0.189 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)C1CC1 ZINC000580074194 390217797 /nfs/dbraw/zinc/21/77/97/390217797.db2.gz IFHKYFNRDVBVTF-BNOWGMLFSA-N 2 2 288.432 0.189 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000580189036 390227167 /nfs/dbraw/zinc/22/71/67/390227167.db2.gz FAMNDEICLRSGRF-TUAOUCFPSA-N 2 2 272.393 0.132 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000580189036 390227171 /nfs/dbraw/zinc/22/71/71/390227171.db2.gz FAMNDEICLRSGRF-TUAOUCFPSA-N 2 2 272.393 0.132 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494702367 390194419 /nfs/dbraw/zinc/19/44/19/390194419.db2.gz IIEOUYYGEZQHGZ-OLZOCXBDSA-N 2 2 269.389 0.356 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494702367 390194421 /nfs/dbraw/zinc/19/44/21/390194421.db2.gz IIEOUYYGEZQHGZ-OLZOCXBDSA-N 2 2 269.389 0.356 20 0 CCADLP c1nc(NCC[NH+]2CCCCCC2)c2c([nH+]1)NCCO2 ZINC000647855620 390194682 /nfs/dbraw/zinc/19/46/82/390194682.db2.gz RTMHIQUXZYRNTR-UHFFFAOYSA-N 2 2 277.372 0.681 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000647858610 390195242 /nfs/dbraw/zinc/19/52/42/390195242.db2.gz HJJDGWNFQCHDLF-NSHDSACASA-N 2 2 292.387 0.874 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000647858610 390195243 /nfs/dbraw/zinc/19/52/43/390195243.db2.gz HJJDGWNFQCHDLF-NSHDSACASA-N 2 2 292.387 0.874 20 0 CCADLP C[C@H]([NH3+])[C@H]1C[N@H+](CCC(=O)Nc2cccnc2)CCO1 ZINC000647865865 390198227 /nfs/dbraw/zinc/19/82/27/390198227.db2.gz VRRXIKSTALLSHZ-WCQYABFASA-N 2 2 278.356 0.458 20 0 CCADLP C[C@H]([NH3+])[C@H]1C[N@@H+](CCC(=O)Nc2cccnc2)CCO1 ZINC000647865865 390198232 /nfs/dbraw/zinc/19/82/32/390198232.db2.gz VRRXIKSTALLSHZ-WCQYABFASA-N 2 2 278.356 0.458 20 0 CCADLP CNC(=O)c1cccc(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000644519094 390243013 /nfs/dbraw/zinc/24/30/13/390243013.db2.gz RTLQILBZRGPHJH-OAHLLOKOSA-N 2 2 291.395 0.591 20 0 CCADLP CNC(=O)c1cccc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000644519094 390243015 /nfs/dbraw/zinc/24/30/15/390243015.db2.gz RTLQILBZRGPHJH-OAHLLOKOSA-N 2 2 291.395 0.591 20 0 CCADLP CN1C[C@@H](C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)OC1=O ZINC000496054325 390290259 /nfs/dbraw/zinc/29/02/59/390290259.db2.gz BNXABOITZRQIIP-STQMWFEESA-N 2 2 267.373 0.855 20 0 CCADLP CN1C[C@@H](C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)OC1=O ZINC000496054325 390290260 /nfs/dbraw/zinc/29/02/60/390290260.db2.gz BNXABOITZRQIIP-STQMWFEESA-N 2 2 267.373 0.855 20 0 CCADLP NC(=O)CC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000644523755 390244379 /nfs/dbraw/zinc/24/43/79/390244379.db2.gz ZFAOLNDHSWWUPK-UHFFFAOYSA-N 2 2 262.357 0.511 20 0 CCADLP C[N@@H+]1CCN(C(=O)Nc2ccc3c(c2)OCO3)[C@@H](C[NH3+])C1 ZINC000580408857 390245009 /nfs/dbraw/zinc/24/50/09/390245009.db2.gz AERJVEXMLTXGRJ-NSHDSACASA-N 2 2 292.339 0.522 20 0 CCADLP C[N@H+]1CCN(C(=O)Nc2ccc3c(c2)OCO3)[C@@H](C[NH3+])C1 ZINC000580408857 390245013 /nfs/dbraw/zinc/24/50/13/390245013.db2.gz AERJVEXMLTXGRJ-NSHDSACASA-N 2 2 292.339 0.522 20 0 CCADLP CN1C[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)CC1=O ZINC000644535584 390247851 /nfs/dbraw/zinc/24/78/51/390247851.db2.gz WDNNDIKOWVITSU-CABCVRRESA-N 2 2 291.395 0.300 20 0 CCADLP CN1C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC1=O ZINC000644535584 390247855 /nfs/dbraw/zinc/24/78/55/390247855.db2.gz WDNNDIKOWVITSU-CABCVRRESA-N 2 2 291.395 0.300 20 0 CCADLP C[N@@H+]1CCC[C@@H]([NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC000644548141 390250305 /nfs/dbraw/zinc/25/03/05/390250305.db2.gz QHPFBERCROQTAG-OLZOCXBDSA-N 2 2 272.389 0.227 20 0 CCADLP C[N@H+]1CCC[C@@H]([NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC000644548141 390250307 /nfs/dbraw/zinc/25/03/07/390250307.db2.gz QHPFBERCROQTAG-OLZOCXBDSA-N 2 2 272.389 0.227 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000581259088 390250803 /nfs/dbraw/zinc/25/08/03/390250803.db2.gz XORFQNBNDODVGC-DGCLKSJQSA-N 2 2 253.346 0.028 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000581259088 390250807 /nfs/dbraw/zinc/25/08/07/390250807.db2.gz XORFQNBNDODVGC-DGCLKSJQSA-N 2 2 253.346 0.028 20 0 CCADLP OCCC[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2CNc3ccnn3C2)C1 ZINC000648039635 390260358 /nfs/dbraw/zinc/26/03/58/390260358.db2.gz OYHQDXIPLYHXHE-KGLIPLIRSA-N 2 2 293.415 0.361 20 0 CCADLP OCCC[N@H+]1CCC[C@H]([NH2+]C[C@@H]2CNc3ccnn3C2)C1 ZINC000648039635 390260360 /nfs/dbraw/zinc/26/03/60/390260360.db2.gz OYHQDXIPLYHXHE-KGLIPLIRSA-N 2 2 293.415 0.361 20 0 CCADLP OCCC[N@@H+]1CCC[C@@H]([NH2+]C[C@@H]2CNc3ccnn3C2)C1 ZINC000648039637 390260582 /nfs/dbraw/zinc/26/05/82/390260582.db2.gz OYHQDXIPLYHXHE-ZIAGYGMSSA-N 2 2 293.415 0.361 20 0 CCADLP OCCC[N@H+]1CCC[C@@H]([NH2+]C[C@@H]2CNc3ccnn3C2)C1 ZINC000648039637 390260583 /nfs/dbraw/zinc/26/05/83/390260583.db2.gz OYHQDXIPLYHXHE-ZIAGYGMSSA-N 2 2 293.415 0.361 20 0 CCADLP CCN(C)C(=O)C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644625558 390268807 /nfs/dbraw/zinc/26/88/07/390268807.db2.gz RCVHOTJHZNSAOQ-OAHLLOKOSA-N 2 2 293.411 0.547 20 0 CCADLP CCN(C)C(=O)C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644625558 390268810 /nfs/dbraw/zinc/26/88/10/390268810.db2.gz RCVHOTJHZNSAOQ-OAHLLOKOSA-N 2 2 293.411 0.547 20 0 CCADLP COCCOC[C@@H](O)C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000644643325 390274998 /nfs/dbraw/zinc/27/49/98/390274998.db2.gz MMCDKOCJMUJBMI-ZDUSSCGKSA-N 2 2 283.372 0.333 20 0 CCADLP CC[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000644645994 390275580 /nfs/dbraw/zinc/27/55/80/390275580.db2.gz UGMVWRNRVDUJJT-WTUNAVPPSA-N 2 2 283.416 0.431 20 0 CCADLP CC[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000644645994 390275581 /nfs/dbraw/zinc/27/55/81/390275581.db2.gz UGMVWRNRVDUJJT-WTUNAVPPSA-N 2 2 283.416 0.431 20 0 CCADLP COC1(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CCCC1 ZINC000583614958 390297901 /nfs/dbraw/zinc/29/79/01/390297901.db2.gz YUHWQDHPJSYDQC-LBPRGKRZSA-N 2 2 284.404 0.230 20 0 CCADLP COC1(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CCCC1 ZINC000583614958 390297904 /nfs/dbraw/zinc/29/79/04/390297904.db2.gz YUHWQDHPJSYDQC-LBPRGKRZSA-N 2 2 284.404 0.230 20 0 CCADLP C[C@H](C(=O)N1CCCC[C@@H]1C[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000544488016 390304697 /nfs/dbraw/zinc/30/46/97/390304697.db2.gz QGYMEUHIIWXPGY-HUUCEWRRSA-N 2 2 296.459 0.565 20 0 CCADLP C[N@@H+]1C[C@H]2CCN(C(=O)C3([NH+]4CCOCC4)CCC3)[C@@H]2C1 ZINC000644813093 390319787 /nfs/dbraw/zinc/31/97/87/390319787.db2.gz GFMNKHHNPADLFZ-ZIAGYGMSSA-N 2 2 293.411 0.404 20 0 CCADLP C[N@H+]1C[C@H]2CCN(C(=O)C3([NH+]4CCOCC4)CCC3)[C@@H]2C1 ZINC000644813093 390319790 /nfs/dbraw/zinc/31/97/90/390319790.db2.gz GFMNKHHNPADLFZ-ZIAGYGMSSA-N 2 2 293.411 0.404 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)c2c[nH+]ccc2N(C)C)CCO1 ZINC000545379737 390326297 /nfs/dbraw/zinc/32/62/97/390326297.db2.gz DIVDSGYCLVMNBR-GFCCVEGCSA-N 2 2 292.383 0.598 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)c2c[nH+]ccc2N(C)C)CCO1 ZINC000545379737 390326299 /nfs/dbraw/zinc/32/62/99/390326299.db2.gz DIVDSGYCLVMNBR-GFCCVEGCSA-N 2 2 292.383 0.598 20 0 CCADLP CN1C(=O)C[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)c2ccccc21 ZINC000545867052 390332604 /nfs/dbraw/zinc/33/26/04/390332604.db2.gz LMVYCQDCPDMTCO-XJKSGUPXSA-N 2 2 289.379 0.750 20 0 CCADLP CN1C(=O)C[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)c2ccccc21 ZINC000545867052 390332608 /nfs/dbraw/zinc/33/26/08/390332608.db2.gz LMVYCQDCPDMTCO-XJKSGUPXSA-N 2 2 289.379 0.750 20 0 CCADLP C[C@@H](CC(=O)N1CC[N@H+](C)C[C@H]1C)n1cc[nH+]c1 ZINC000584355056 390337950 /nfs/dbraw/zinc/33/79/50/390337950.db2.gz JIKGVCFXPGGLFP-NWDGAFQWSA-N 2 2 250.346 0.997 20 0 CCADLP C[C@@H](CC(=O)N1CC[N@@H+](C)C[C@H]1C)n1cc[nH+]c1 ZINC000584355056 390337953 /nfs/dbraw/zinc/33/79/53/390337953.db2.gz JIKGVCFXPGGLFP-NWDGAFQWSA-N 2 2 250.346 0.997 20 0 CCADLP C[NH+]1CCCC[C@H]1CCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000584409873 390341651 /nfs/dbraw/zinc/34/16/51/390341651.db2.gz XXKVHCBXACJCHG-UONOGXRCSA-N 3 2 282.432 0.352 20 0 CCADLP C[NH+]1CCCC[C@H]1CCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000584409873 390341652 /nfs/dbraw/zinc/34/16/52/390341652.db2.gz XXKVHCBXACJCHG-UONOGXRCSA-N 3 2 282.432 0.352 20 0 CCADLP C[NH+]1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)[C@H](C[NH3+])C1 ZINC000584409873 390341655 /nfs/dbraw/zinc/34/16/55/390341655.db2.gz XXKVHCBXACJCHG-UONOGXRCSA-N 3 2 282.432 0.352 20 0 CCADLP C[NH+]1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)[C@H](C[NH3+])C1 ZINC000584409873 390341657 /nfs/dbraw/zinc/34/16/57/390341657.db2.gz XXKVHCBXACJCHG-UONOGXRCSA-N 3 2 282.432 0.352 20 0 CCADLP C[C@@H](O)CC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000644927994 390347302 /nfs/dbraw/zinc/34/73/02/390347302.db2.gz XXVYYNHBXVJPPN-YPMHNXCESA-N 2 2 269.389 0.171 20 0 CCADLP C[C@@H](O)CC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000644927994 390347306 /nfs/dbraw/zinc/34/73/06/390347306.db2.gz XXVYYNHBXVJPPN-YPMHNXCESA-N 2 2 269.389 0.171 20 0 CCADLP Cn1cc([C@@H](CO)[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000623474535 390400938 /nfs/dbraw/zinc/40/09/38/390400938.db2.gz FEHOHILYHHEBIQ-QWHCGFSZSA-N 2 2 266.389 0.916 20 0 CCADLP Cn1cc([C@@H](CO)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000623474535 390400941 /nfs/dbraw/zinc/40/09/41/390400941.db2.gz FEHOHILYHHEBIQ-QWHCGFSZSA-N 2 2 266.389 0.916 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)C[NH+]1CCCC1 ZINC000547863913 390405888 /nfs/dbraw/zinc/40/58/88/390405888.db2.gz UPIOVNOLIAWKLS-LBPRGKRZSA-N 2 2 264.373 0.811 20 0 CCADLP [NH3+]CCOCC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000645375643 390417557 /nfs/dbraw/zinc/41/75/57/390417557.db2.gz PYKJZAUQEFERGV-UHFFFAOYSA-N 2 2 278.356 0.273 20 0 CCADLP O=C(NCC[NH+]1CCOCC1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000643219719 390420317 /nfs/dbraw/zinc/42/03/17/390420317.db2.gz HQSXBXMNOLSJOE-CYBMUJFWSA-N 2 2 296.415 0.102 20 0 CCADLP O=C(NCC[NH+]1CCOCC1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000643219719 390420320 /nfs/dbraw/zinc/42/03/20/390420320.db2.gz HQSXBXMNOLSJOE-CYBMUJFWSA-N 2 2 296.415 0.102 20 0 CCADLP O[C@@H]1COC[C@@H]1[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000643377742 390437191 /nfs/dbraw/zinc/43/71/91/390437191.db2.gz YVNKYNLPEPOFPR-BYCMXARLSA-N 2 2 277.368 0.768 20 0 CCADLP O[C@@H]1COC[C@@H]1[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000643377742 390437192 /nfs/dbraw/zinc/43/71/92/390437192.db2.gz YVNKYNLPEPOFPR-BYCMXARLSA-N 2 2 277.368 0.768 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648900757 390439930 /nfs/dbraw/zinc/43/99/30/390439930.db2.gz CNWDTKRCNWFQLQ-APIJFGDWSA-N 2 2 295.427 0.648 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648900757 390439933 /nfs/dbraw/zinc/43/99/33/390439933.db2.gz CNWDTKRCNWFQLQ-APIJFGDWSA-N 2 2 295.427 0.648 20 0 CCADLP C[C@H](Nc1nc(N)[nH+]c2c1CCCC2)[C@@H]1C[N@H+](C)CCO1 ZINC000645193536 390386462 /nfs/dbraw/zinc/38/64/62/390386462.db2.gz JCXSGRSPUKXWQA-GWCFXTLKSA-N 2 2 291.399 0.321 20 0 CCADLP C[C@H](Nc1nc(N)[nH+]c2c1CCCC2)[C@@H]1C[N@@H+](C)CCO1 ZINC000645193536 390386464 /nfs/dbraw/zinc/38/64/64/390386464.db2.gz JCXSGRSPUKXWQA-GWCFXTLKSA-N 2 2 291.399 0.321 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)[C@H](C[NH3+])C1 ZINC000517922039 390490591 /nfs/dbraw/zinc/49/05/91/390490591.db2.gz CQVNZRWXTHHWRD-WRWGMCAJSA-N 2 2 252.362 0.069 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2C[C@H]3C[C@H]3C2)[C@H](C[NH3+])C1 ZINC000517922039 390490603 /nfs/dbraw/zinc/49/06/03/390490603.db2.gz CQVNZRWXTHHWRD-WRWGMCAJSA-N 2 2 252.362 0.069 20 0 CCADLP CC(C)OC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000519400864 390499149 /nfs/dbraw/zinc/49/91/49/390499149.db2.gz UEPRCPVMJLNUOZ-ZIAGYGMSSA-N 2 2 274.405 0.209 20 0 CCADLP CC(C)OC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000519400864 390499151 /nfs/dbraw/zinc/49/91/51/390499151.db2.gz UEPRCPVMJLNUOZ-ZIAGYGMSSA-N 2 2 274.405 0.209 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H](O)C3CCC3)C2)CC1 ZINC000648937820 390451068 /nfs/dbraw/zinc/45/10/68/390451068.db2.gz BDROXINGWMRSHY-ZFWWWQNUSA-N 2 2 295.427 0.432 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H](O)C3CCC3)C2)CC1 ZINC000648937820 390451072 /nfs/dbraw/zinc/45/10/72/390451072.db2.gz BDROXINGWMRSHY-ZFWWWQNUSA-N 2 2 295.427 0.432 20 0 CCADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1cccc(-n2cnnn2)c1 ZINC000643499708 390455897 /nfs/dbraw/zinc/45/58/97/390455897.db2.gz DYUKIFWYWDIXAO-JQWIXIFHSA-N 2 2 258.329 0.675 20 0 CCADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC[NH2+]C2CC2)cc1 ZINC000643506342 390456936 /nfs/dbraw/zinc/45/69/36/390456936.db2.gz SKDMBLLZDSVNCD-LLVKDONJSA-N 2 2 297.424 0.997 20 0 CCADLP CS(=O)(=O)C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000556193955 390476180 /nfs/dbraw/zinc/47/61/80/390476180.db2.gz XXAOGMUEWAMMSQ-GWCFXTLKSA-N 2 2 283.397 0.680 20 0 CCADLP CS(=O)(=O)C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000556193955 390476182 /nfs/dbraw/zinc/47/61/82/390476182.db2.gz XXAOGMUEWAMMSQ-GWCFXTLKSA-N 2 2 283.397 0.680 20 0 CCADLP C[C@H]1COCCN1CC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000515863123 390478103 /nfs/dbraw/zinc/47/81/03/390478103.db2.gz JSIYQKXVOSUPKN-UONOGXRCSA-N 2 2 278.400 0.930 20 0 CCADLP C[C@H]1COCCN1CC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000515863123 390478105 /nfs/dbraw/zinc/47/81/05/390478105.db2.gz JSIYQKXVOSUPKN-UONOGXRCSA-N 2 2 278.400 0.930 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000649320673 390578586 /nfs/dbraw/zinc/57/85/86/390578586.db2.gz VUNHVNLQKLICFM-GHMZBOCLSA-N 2 2 291.342 0.068 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000649320673 390578589 /nfs/dbraw/zinc/57/85/89/390578589.db2.gz VUNHVNLQKLICFM-GHMZBOCLSA-N 2 2 291.342 0.068 20 0 CCADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649320629 390578669 /nfs/dbraw/zinc/57/86/69/390578669.db2.gz RBIWNZXVOYCXJX-MBTKJCJQSA-N 2 2 288.273 0.527 20 0 CCADLP CN(C)c1ncc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)n1C ZINC000566137947 390584578 /nfs/dbraw/zinc/58/45/78/390584578.db2.gz ZRRHHHBQGGGLQK-JTQLQIEISA-N 2 2 274.372 0.856 20 0 CCADLP [NH3+]CCCCC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000566165086 390588842 /nfs/dbraw/zinc/58/88/42/390588842.db2.gz DXSDMFUDFPKCBZ-UHFFFAOYSA-N 2 2 292.383 0.663 20 0 CCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]([NH3+])c1cscn1 ZINC000649332250 390588914 /nfs/dbraw/zinc/58/89/14/390588914.db2.gz JRJSMEPZIKXSOM-PSASIEDQSA-N 2 2 254.359 0.305 20 0 CCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]([NH3+])c1cscn1 ZINC000649332250 390588919 /nfs/dbraw/zinc/58/89/19/390588919.db2.gz JRJSMEPZIKXSOM-PSASIEDQSA-N 2 2 254.359 0.305 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH+](C)C ZINC000649209179 390523163 /nfs/dbraw/zinc/52/31/63/390523163.db2.gz FNLQAHXIZMUAPY-GHMZBOCLSA-N 2 2 250.346 0.512 20 0 CCADLP C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC000649224674 390529436 /nfs/dbraw/zinc/52/94/36/390529436.db2.gz DOVSMBCKCFLTQZ-OUCADQQQSA-N 2 2 274.368 0.608 20 0 CCADLP COC[C@]1(C(=O)N(C)Cc2[nH+]ccn2C)CCC[NH2+]1 ZINC000643774061 390539909 /nfs/dbraw/zinc/53/99/09/390539909.db2.gz HLFNLARCQOMNHR-ZDUSSCGKSA-N 2 2 266.345 0.147 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)CCO1 ZINC000649274298 390542830 /nfs/dbraw/zinc/54/28/30/390542830.db2.gz BFPNGCMIJNJJGV-DGCLKSJQSA-N 2 2 288.351 0.451 20 0 CCADLP CC1(C)C[NH2+][C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000649333405 390590367 /nfs/dbraw/zinc/59/03/67/390590367.db2.gz RKAVWADLJQUCCX-MGPQQGTHSA-N 2 2 295.427 0.744 20 0 CCADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000645957510 390548333 /nfs/dbraw/zinc/54/83/33/390548333.db2.gz RFWMUGVRJRFFIM-AWEZNQCLSA-N 2 2 291.395 0.287 20 0 CCADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000645957510 390548337 /nfs/dbraw/zinc/54/83/37/390548337.db2.gz RFWMUGVRJRFFIM-AWEZNQCLSA-N 2 2 291.395 0.287 20 0 CCADLP O=C(C[C@H]1C[NH2+]CCO1)Nc1ccc2[nH+]ccn2c1 ZINC000645976371 390555443 /nfs/dbraw/zinc/55/54/43/390555443.db2.gz XMUOSVULRZOOPV-NSHDSACASA-N 2 2 260.297 0.651 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000649293847 390556367 /nfs/dbraw/zinc/55/63/67/390556367.db2.gz LQKIYERXZBKJOH-WDEREUQCSA-N 2 2 291.342 0.068 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC(C)(C)C(F)(F)F)[C@H](C[NH3+])C1 ZINC000520204503 390557694 /nfs/dbraw/zinc/55/76/94/390557694.db2.gz UMUVSVXPFIVYHF-SECBINFHSA-N 2 2 296.337 0.859 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC(C)(C)C(F)(F)F)[C@H](C[NH3+])C1 ZINC000520204503 390557699 /nfs/dbraw/zinc/55/76/99/390557699.db2.gz UMUVSVXPFIVYHF-SECBINFHSA-N 2 2 296.337 0.859 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000646022201 390573817 /nfs/dbraw/zinc/57/38/17/390573817.db2.gz KKNRFCNRIKFNSA-OAHLLOKOSA-N 2 2 294.399 0.268 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)CCC(C)(C)[NH3+] ZINC000649320522 390577527 /nfs/dbraw/zinc/57/75/27/390577527.db2.gz HNNHSQWXPHXZEK-NSHDSACASA-N 2 2 257.378 0.341 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)CCC(C)(C)[NH3+] ZINC000649320522 390577529 /nfs/dbraw/zinc/57/75/29/390577529.db2.gz HNNHSQWXPHXZEK-NSHDSACASA-N 2 2 257.378 0.341 20 0 CCADLP C[C@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])CC(F)F ZINC000646219151 390639689 /nfs/dbraw/zinc/63/96/89/390639689.db2.gz CRSXUKMVDUHHRF-VHSXEESVSA-N 2 2 278.347 0.562 20 0 CCADLP C[C@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])CC(F)F ZINC000646219151 390639691 /nfs/dbraw/zinc/63/96/91/390639691.db2.gz CRSXUKMVDUHHRF-VHSXEESVSA-N 2 2 278.347 0.562 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC2CCC(F)CC2)[C@H](C[NH3+])C1 ZINC000646232871 390644725 /nfs/dbraw/zinc/64/47/25/390644725.db2.gz JFBFRHKJQLOCDP-WXRRBKDZSA-N 2 2 286.395 0.799 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC2CCC(F)CC2)[C@H](C[NH3+])C1 ZINC000646232871 390644729 /nfs/dbraw/zinc/64/47/29/390644729.db2.gz JFBFRHKJQLOCDP-WXRRBKDZSA-N 2 2 286.395 0.799 20 0 CCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000646264918 390652973 /nfs/dbraw/zinc/65/29/73/390652973.db2.gz DDGWOTVEDCEEGS-DVOMOZLQSA-N 2 2 286.379 0.776 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCc2nccs2)C[C@H](C)O1 ZINC000566909888 390658189 /nfs/dbraw/zinc/65/81/89/390658189.db2.gz QLLVUGFQQPPKGO-FRRDWIJNSA-N 2 2 299.440 0.745 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCc2nccs2)C[C@H](C)O1 ZINC000566909888 390658192 /nfs/dbraw/zinc/65/81/92/390658192.db2.gz QLLVUGFQQPPKGO-FRRDWIJNSA-N 2 2 299.440 0.745 20 0 CCADLP CC1(OCC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C[NH2+]C1 ZINC000649335875 390592704 /nfs/dbraw/zinc/59/27/04/390592704.db2.gz HKDCMBRPGNFKKH-UHFFFAOYSA-N 2 2 278.356 0.494 20 0 CCADLP CC1(OCC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C[NH2+]C1 ZINC000649335875 390592705 /nfs/dbraw/zinc/59/27/05/390592705.db2.gz HKDCMBRPGNFKKH-UHFFFAOYSA-N 2 2 278.356 0.494 20 0 CCADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NCc1cccnc1 ZINC000566412795 390597613 /nfs/dbraw/zinc/59/76/13/390597613.db2.gz LBWXRRXFSFFEAB-AAEUAGOBSA-N 2 2 262.357 0.509 20 0 CCADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NCc1cccnc1 ZINC000566412795 390597616 /nfs/dbraw/zinc/59/76/16/390597616.db2.gz LBWXRRXFSFFEAB-AAEUAGOBSA-N 2 2 262.357 0.509 20 0 CCADLP CC(C)[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 ZINC000643960343 390608863 /nfs/dbraw/zinc/60/88/63/390608863.db2.gz TUJJXEHAGVYPLR-MQYQWHSLSA-N 2 2 256.390 0.581 20 0 CCADLP CC(C)[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1 ZINC000643960343 390608865 /nfs/dbraw/zinc/60/88/65/390608865.db2.gz TUJJXEHAGVYPLR-MQYQWHSLSA-N 2 2 256.390 0.581 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)CC2CC[NH+](C)CC2)CCO1 ZINC000643969581 390610904 /nfs/dbraw/zinc/61/09/04/390610904.db2.gz FTCJIUOZKHJRQA-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)CC2CC[NH+](C)CC2)CCO1 ZINC000643969581 390610907 /nfs/dbraw/zinc/61/09/07/390610907.db2.gz FTCJIUOZKHJRQA-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP Cc1[nH+]c2cc(NC(=O)COCC[NH3+])ccc2n1C ZINC000646125375 390612479 /nfs/dbraw/zinc/61/24/79/390612479.db2.gz PUOSQTPSBRYKTO-UHFFFAOYSA-N 2 2 262.313 0.796 20 0 CCADLP COCC[NH2+]CC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000646138524 390616290 /nfs/dbraw/zinc/61/62/90/390616290.db2.gz KYVZSOJVUIQJID-UHFFFAOYSA-N 2 2 290.367 0.537 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000646803444 390722612 /nfs/dbraw/zinc/72/26/12/390722612.db2.gz XGOOFZBGJKUMNW-CYBMUJFWSA-N 2 2 282.432 0.080 20 0 CCADLP CN(CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccccc1 ZINC000646833718 390725782 /nfs/dbraw/zinc/72/57/82/390725782.db2.gz GQJGDGSNACQIGI-AWEZNQCLSA-N 2 2 276.384 0.224 20 0 CCADLP CN(CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccccc1 ZINC000646833718 390725784 /nfs/dbraw/zinc/72/57/84/390725784.db2.gz GQJGDGSNACQIGI-AWEZNQCLSA-N 2 2 276.384 0.224 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C1CCOCC1 ZINC000646833213 390725858 /nfs/dbraw/zinc/72/58/58/390725858.db2.gz QIHSPKPBQKWICO-AAEUAGOBSA-N 2 2 269.389 0.150 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C1CCOCC1 ZINC000646833213 390725860 /nfs/dbraw/zinc/72/58/60/390725860.db2.gz QIHSPKPBQKWICO-AAEUAGOBSA-N 2 2 269.389 0.150 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646340468 390668261 /nfs/dbraw/zinc/66/82/61/390668261.db2.gz GBXNJXCIPZMEKJ-SOUVJXGZSA-N 2 2 295.427 0.698 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646340468 390668262 /nfs/dbraw/zinc/66/82/62/390668262.db2.gz GBXNJXCIPZMEKJ-SOUVJXGZSA-N 2 2 295.427 0.698 20 0 CCADLP CCc1cccc(OCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000567109177 390672134 /nfs/dbraw/zinc/67/21/34/390672134.db2.gz YKQGDTNVUUCEQD-AWEZNQCLSA-N 2 2 291.395 0.729 20 0 CCADLP CCc1cccc(OCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000567109177 390672138 /nfs/dbraw/zinc/67/21/38/390672138.db2.gz YKQGDTNVUUCEQD-AWEZNQCLSA-N 2 2 291.395 0.729 20 0 CCADLP COC[C@@H](C)C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000526118915 390678522 /nfs/dbraw/zinc/67/85/22/390678522.db2.gz TWBZGMQNRKUPNZ-NWDGAFQWSA-N 2 2 257.378 0.198 20 0 CCADLP COC[C@@H](C)C[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000526118915 390678523 /nfs/dbraw/zinc/67/85/23/390678523.db2.gz TWBZGMQNRKUPNZ-NWDGAFQWSA-N 2 2 257.378 0.198 20 0 CCADLP Cc1nc(N2CCN(C(=O)CC(C)(C)[NH3+])CC2)cc[nH+]1 ZINC000646481773 390687909 /nfs/dbraw/zinc/68/79/09/390687909.db2.gz PHUMRIRAJWSSSJ-UHFFFAOYSA-N 2 2 277.372 0.561 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CCC[NH+]2C2CC2)CCO1 ZINC000571354035 390732147 /nfs/dbraw/zinc/73/21/47/390732147.db2.gz GCLCGSCKXLENOE-TZMCWYRMSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CCC[NH+]2C2CC2)CCO1 ZINC000571354035 390732149 /nfs/dbraw/zinc/73/21/49/390732149.db2.gz GCLCGSCKXLENOE-TZMCWYRMSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CCC[N@@H+]2C2CC2)CCO1 ZINC000571354035 390732150 /nfs/dbraw/zinc/73/21/50/390732150.db2.gz GCLCGSCKXLENOE-TZMCWYRMSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CCC[N@H+]2C2CC2)CCO1 ZINC000571354035 390732151 /nfs/dbraw/zinc/73/21/51/390732151.db2.gz GCLCGSCKXLENOE-TZMCWYRMSA-N 2 2 281.400 0.450 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](CCCO)Cc1ccccn1 ZINC000567363443 390695170 /nfs/dbraw/zinc/69/51/70/390695170.db2.gz GJABOIRTXGEHCU-HNNXBMFYSA-N 2 2 281.400 0.579 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](CCCO)Cc1ccccn1 ZINC000567363443 390695171 /nfs/dbraw/zinc/69/51/71/390695171.db2.gz GJABOIRTXGEHCU-HNNXBMFYSA-N 2 2 281.400 0.579 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](CCCO)Cc1ccccn1 ZINC000567363443 390695172 /nfs/dbraw/zinc/69/51/72/390695172.db2.gz GJABOIRTXGEHCU-HNNXBMFYSA-N 2 2 281.400 0.579 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](CCCO)Cc1ccccn1 ZINC000567363443 390695174 /nfs/dbraw/zinc/69/51/74/390695174.db2.gz GJABOIRTXGEHCU-HNNXBMFYSA-N 2 2 281.400 0.579 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000567402455 390697762 /nfs/dbraw/zinc/69/77/62/390697762.db2.gz VDXLCBVOSCRSTL-SOUVJXGZSA-N 3 2 271.449 0.961 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000567402455 390697763 /nfs/dbraw/zinc/69/77/63/390697763.db2.gz VDXLCBVOSCRSTL-SOUVJXGZSA-N 3 2 271.449 0.961 20 0 CCADLP CC[NH+]1CCC(NC(=O)[C@@H](c2c[nH+]cn2C)N(C)C)CC1 ZINC000646618114 390700449 /nfs/dbraw/zinc/70/04/49/390700449.db2.gz DNGVIJCJXHBOBR-CQSZACIVSA-N 2 2 293.415 0.623 20 0 CCADLP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000571818851 390755257 /nfs/dbraw/zinc/75/52/57/390755257.db2.gz VPQPZDMJWCXSMD-QWHCGFSZSA-N 2 2 268.405 0.863 20 0 CCADLP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000571818851 390755259 /nfs/dbraw/zinc/75/52/59/390755259.db2.gz VPQPZDMJWCXSMD-QWHCGFSZSA-N 2 2 268.405 0.863 20 0 CCADLP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000571818851 390755260 /nfs/dbraw/zinc/75/52/60/390755260.db2.gz VPQPZDMJWCXSMD-QWHCGFSZSA-N 2 2 268.405 0.863 20 0 CCADLP CC(C)NC(=O)NCC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000571818851 390755261 /nfs/dbraw/zinc/75/52/61/390755261.db2.gz VPQPZDMJWCXSMD-QWHCGFSZSA-N 2 2 268.405 0.863 20 0 CCADLP CC1([NH+]2CCOCC2)CC[NH+](CCN2CCOCC2)CC1 ZINC000528727283 390771653 /nfs/dbraw/zinc/77/16/53/390771653.db2.gz JHPWUELULARWNX-UHFFFAOYSA-N 2 2 297.443 0.505 20 0 CCADLP CC(C)[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CCO1 ZINC000572262239 390775869 /nfs/dbraw/zinc/77/58/69/390775869.db2.gz CUZSGYNXQBHYQD-RDBSUJKOSA-N 2 2 298.431 0.474 20 0 CCADLP CC[N@@H+]1CCO[C@H](c2nc([C@H]3CCC[NH2+]3)no2)C1 ZINC000647149740 390780152 /nfs/dbraw/zinc/78/01/52/390780152.db2.gz QTANNNUFMPRIII-ZJUUUORDSA-N 2 2 252.318 0.887 20 0 CCADLP CC[N@H+]1CCO[C@H](c2nc([C@H]3CCC[NH2+]3)no2)C1 ZINC000647149740 390780153 /nfs/dbraw/zinc/78/01/53/390780153.db2.gz QTANNNUFMPRIII-ZJUUUORDSA-N 2 2 252.318 0.887 20 0 CCADLP COc1ccc(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)nc1 ZINC000572394805 390781445 /nfs/dbraw/zinc/78/14/45/390781445.db2.gz VSGONXHCORTKCP-CYBMUJFWSA-N 2 2 265.357 0.635 20 0 CCADLP COc1ccc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)nc1 ZINC000572394805 390781446 /nfs/dbraw/zinc/78/14/46/390781446.db2.gz VSGONXHCORTKCP-CYBMUJFWSA-N 2 2 265.357 0.635 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000528955918 390785449 /nfs/dbraw/zinc/78/54/49/390785449.db2.gz SHHNGQBLGAPKPX-NWDGAFQWSA-N 2 2 250.346 0.743 20 0 CCADLP [NH3+][C@@H]1C[C@H]2CN(c3[nH]c4ccccc4[nH+]3)CCN2C1=O ZINC000572855725 390807313 /nfs/dbraw/zinc/80/73/13/390807313.db2.gz KHPZWLAZVGTBNQ-VHSXEESVSA-N 2 2 271.324 0.311 20 0 CCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCCc2ncn(C)n2)C1 ZINC000647231102 390795194 /nfs/dbraw/zinc/79/51/94/390795194.db2.gz GPINMBDDJNCGCT-GFCCVEGCSA-N 2 2 267.377 0.058 20 0 CCADLP COCC[N@H+]1CC[C@@H]([NH2+]CCCc2ncn(C)n2)C1 ZINC000647231102 390795197 /nfs/dbraw/zinc/79/51/97/390795197.db2.gz GPINMBDDJNCGCT-GFCCVEGCSA-N 2 2 267.377 0.058 20 0 CCADLP CC[NH+]1CCC(CNC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000572664403 390796631 /nfs/dbraw/zinc/79/66/31/390796631.db2.gz DZJGWPBURAGWDD-UHFFFAOYSA-N 2 2 298.431 0.350 20 0 CCADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000572869856 390808054 /nfs/dbraw/zinc/80/80/54/390808054.db2.gz UFIHKNWJVJBSDH-BZUAXINKSA-N 2 2 299.459 0.390 20 0 CCADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000572869856 390808057 /nfs/dbraw/zinc/80/80/57/390808057.db2.gz UFIHKNWJVJBSDH-BZUAXINKSA-N 2 2 299.459 0.390 20 0 CCADLP CC[NH+]1C[C@H](C)N(C(=O)[C@@H]2C[N@H+](CC)CCO2)[C@@H](C)C1 ZINC000571416546 390734914 /nfs/dbraw/zinc/73/49/14/390734914.db2.gz LJWJAFKBAKKOCO-IHRRRGAJSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1C[C@H](C)N(C(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@@H](C)C1 ZINC000571416546 390734915 /nfs/dbraw/zinc/73/49/15/390734915.db2.gz LJWJAFKBAKKOCO-IHRRRGAJSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@@H](CC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)n1cc[nH+]c1 ZINC000571458335 390737019 /nfs/dbraw/zinc/73/70/19/390737019.db2.gz YHUDQOAQKBKGEU-KBPBESRZSA-N 2 2 291.399 0.340 20 0 CCADLP C[N@@H+]1C[C@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)[C@H]2C1 ZINC000646914459 390739309 /nfs/dbraw/zinc/73/93/09/390739309.db2.gz YCRXLGCWYMPKCF-MNOVXSKESA-N 2 2 262.357 0.850 20 0 CCADLP C[N@H+]1C[C@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)[C@H]2C1 ZINC000646914459 390739310 /nfs/dbraw/zinc/73/93/10/390739310.db2.gz YCRXLGCWYMPKCF-MNOVXSKESA-N 2 2 262.357 0.850 20 0 CCADLP O[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)CC1(O)CCC1 ZINC000528386719 390739747 /nfs/dbraw/zinc/73/97/47/390739747.db2.gz DFOKIZGFIDWFMN-CABCVRRESA-N 2 2 298.427 0.307 20 0 CCADLP O[C@H](C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)CC1(O)CCC1 ZINC000528386719 390739750 /nfs/dbraw/zinc/73/97/50/390739750.db2.gz DFOKIZGFIDWFMN-CABCVRRESA-N 2 2 298.427 0.307 20 0 CCADLP CCC[C@@H]1C[C@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000578173203 390868118 /nfs/dbraw/zinc/86/81/18/390868118.db2.gz FTIPPNYOMFHBJV-GRYCIOLGSA-N 2 2 254.378 0.459 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2COCC[NH2+]2)c2[nH+]ccn21 ZINC000529333515 390810925 /nfs/dbraw/zinc/81/09/25/390810925.db2.gz WYRWIIBBMDKWCI-OUAUKWLOSA-N 2 2 279.344 0.177 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000572943451 390812592 /nfs/dbraw/zinc/81/25/92/390812592.db2.gz UYNPPPRHFZTFFH-CHWSQXEVSA-N 2 2 284.404 0.148 20 0 CCADLP CC[NH+](CC)CCOCCNC(=O)C[NH+]1CC(C)(C)C1 ZINC000572973024 390815305 /nfs/dbraw/zinc/81/53/05/390815305.db2.gz KYNWHRNWNMYRRJ-UHFFFAOYSA-N 2 2 285.432 0.803 20 0 CCADLP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000529376439 390823915 /nfs/dbraw/zinc/82/39/15/390823915.db2.gz DBEJNFUIBCPSSA-NZEXEKPDSA-N 2 2 284.404 0.083 20 0 CCADLP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000529376439 390823916 /nfs/dbraw/zinc/82/39/16/390823916.db2.gz DBEJNFUIBCPSSA-NZEXEKPDSA-N 2 2 284.404 0.083 20 0 CCADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H]([NH3+])c1cscn1 ZINC000574919256 390824956 /nfs/dbraw/zinc/82/49/56/390824956.db2.gz SOGDIQSUWCMIFQ-CMPLNLGQSA-N 2 2 282.413 0.943 20 0 CCADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@H]([NH3+])c1cscn1 ZINC000574919256 390824961 /nfs/dbraw/zinc/82/49/61/390824961.db2.gz SOGDIQSUWCMIFQ-CMPLNLGQSA-N 2 2 282.413 0.943 20 0 CCADLP O=C(N1CCCC1)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000647513649 390827238 /nfs/dbraw/zinc/82/72/38/390827238.db2.gz VFWQXTLWONRWSJ-AWEZNQCLSA-N 2 2 280.416 0.819 20 0 CCADLP Cc1nn(C)c(N(C)C)c1C[N@H+](C)C1CC([NH3+])C1 ZINC000647544849 390838863 /nfs/dbraw/zinc/83/88/63/390838863.db2.gz AFUAKYWAGHVAKT-UHFFFAOYSA-N 2 2 251.378 0.716 20 0 CCADLP Cc1nn(C)c(N(C)C)c1C[N@@H+](C)C1CC([NH3+])C1 ZINC000647544849 390838866 /nfs/dbraw/zinc/83/88/66/390838866.db2.gz AFUAKYWAGHVAKT-UHFFFAOYSA-N 2 2 251.378 0.716 20 0 CCADLP C[C@@H](NC(=O)[C@H](C)[NH2+]C1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000449119310 533259833 /nfs/dbraw/zinc/25/98/33/533259833.db2.gz YAOCMNWCODGQIF-WOPDTQHZSA-N 2 2 269.389 0.352 20 0 CCADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cncc(F)c1 ZINC000358254270 533438255 /nfs/dbraw/zinc/43/82/55/533438255.db2.gz PISMNGICXREBTL-ZWNOBZJWSA-N 2 2 253.321 0.938 20 0 CCADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cncc(F)c1 ZINC000358254270 533438261 /nfs/dbraw/zinc/43/82/61/533438261.db2.gz PISMNGICXREBTL-ZWNOBZJWSA-N 2 2 253.321 0.938 20 0 CCADLP C[C@@H](CC[NH3+])NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000417897371 533577862 /nfs/dbraw/zinc/57/78/62/533577862.db2.gz XSIIQEAJZXPLBQ-JTQLQIEISA-N 2 2 261.329 0.871 20 0 CCADLP COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000419358010 533532142 /nfs/dbraw/zinc/53/21/42/533532142.db2.gz OUNWOVBWGMTTMF-QWHCGFSZSA-N 2 2 297.399 0.224 20 0 CCADLP COC(=O)CNC(=O)[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000419358010 533532147 /nfs/dbraw/zinc/53/21/47/533532147.db2.gz OUNWOVBWGMTTMF-QWHCGFSZSA-N 2 2 297.399 0.224 20 0 CCADLP COC(=O)CNC(=O)[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000419358010 533532149 /nfs/dbraw/zinc/53/21/49/533532149.db2.gz OUNWOVBWGMTTMF-QWHCGFSZSA-N 2 2 297.399 0.224 20 0 CCADLP COC(=O)CNC(=O)[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000419358010 533532151 /nfs/dbraw/zinc/53/21/51/533532151.db2.gz OUNWOVBWGMTTMF-QWHCGFSZSA-N 2 2 297.399 0.224 20 0 CCADLP C[C@@H](CCCC[NH3+])NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000418226289 533534007 /nfs/dbraw/zinc/53/40/07/533534007.db2.gz YMNZIZCKTBFSLC-GXTWGEPZSA-N 2 2 298.431 0.666 20 0 CCADLP C[C@@H](CCCC[NH3+])NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000418226289 533534011 /nfs/dbraw/zinc/53/40/11/533534011.db2.gz YMNZIZCKTBFSLC-GXTWGEPZSA-N 2 2 298.431 0.666 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCCn2cc(CO)nn2)C[N@@H+]1C1CC1 ZINC000353221318 130090902 /nfs/dbraw/zinc/09/09/02/130090902.db2.gz FKEPNFSVJMKHFQ-NEPJUHHUSA-N 2 2 279.388 0.375 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCCn2cc(CO)nn2)C[N@H+]1C1CC1 ZINC000353221318 130090904 /nfs/dbraw/zinc/09/09/04/130090904.db2.gz FKEPNFSVJMKHFQ-NEPJUHHUSA-N 2 2 279.388 0.375 20 0 CCADLP CC[NH+]1CCC([NH2+]Cc2cn(CC(=O)OC)nn2)CC1 ZINC000341889660 130114302 /nfs/dbraw/zinc/11/43/02/130114302.db2.gz SFVRUKVSQHQGHU-UHFFFAOYSA-N 2 2 281.360 0.025 20 0 CCADLP C[C@H]([NH2+]CC1([NH3+])CCC1)C(=O)NC[C@H]1CCCO1 ZINC000342098290 130258922 /nfs/dbraw/zinc/25/89/22/130258922.db2.gz IEJMEEMOHBZRQW-WDEREUQCSA-N 2 2 255.362 0.141 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342106131 130264604 /nfs/dbraw/zinc/26/46/04/130264604.db2.gz OXGIUAJTLYHHDA-MROQNXINSA-N 2 2 289.383 0.863 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342106131 130264606 /nfs/dbraw/zinc/26/46/06/130264606.db2.gz OXGIUAJTLYHHDA-MROQNXINSA-N 2 2 289.383 0.863 20 0 CCADLP C[NH2+]CC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000237236538 131016584 /nfs/dbraw/zinc/01/65/84/131016584.db2.gz AUKHTCKARBJUDU-NSHDSACASA-N 2 2 271.311 0.903 20 0 CCADLP C[NH2+]CCN(C)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000237362565 131025429 /nfs/dbraw/zinc/02/54/29/131025429.db2.gz INIBJUUQMCWUSL-UHFFFAOYSA-N 2 2 259.313 0.559 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250566432 131126038 /nfs/dbraw/zinc/12/60/38/131126038.db2.gz MTNFSGVNVNIBMZ-RYUDHWBXSA-N 2 2 284.404 0.527 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250566432 131126039 /nfs/dbraw/zinc/12/60/39/131126039.db2.gz MTNFSGVNVNIBMZ-RYUDHWBXSA-N 2 2 284.404 0.527 20 0 CCADLP CO[C@H]1CC[N@H+](CCC(=O)Nc2cc(C)on2)[C@H](C[NH3+])C1 ZINC000252767406 131138240 /nfs/dbraw/zinc/13/82/40/131138240.db2.gz IEUKJRHGUNSALR-RYUDHWBXSA-N 2 2 296.371 0.750 20 0 CCADLP CO[C@H]1CC[N@@H+](CCC(=O)Nc2cc(C)on2)[C@H](C[NH3+])C1 ZINC000252767406 131138241 /nfs/dbraw/zinc/13/82/41/131138241.db2.gz IEUKJRHGUNSALR-RYUDHWBXSA-N 2 2 296.371 0.750 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000253200079 131140788 /nfs/dbraw/zinc/14/07/88/131140788.db2.gz WWNRZRJQCXEUOS-REWJHTLYSA-N 2 2 283.416 0.539 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000253200079 131140789 /nfs/dbraw/zinc/14/07/89/131140789.db2.gz WWNRZRJQCXEUOS-REWJHTLYSA-N 2 2 283.416 0.539 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)Cn1cc[nH+]c1 ZINC000261836005 131172271 /nfs/dbraw/zinc/17/22/71/131172271.db2.gz QFPOYXITLMMOOG-UTUOFQBUSA-N 2 2 266.345 0.142 20 0 CCADLP C[NH2+]CC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000262373349 131215998 /nfs/dbraw/zinc/21/59/98/131215998.db2.gz MJPCOHHQUGJCTJ-UHFFFAOYSA-N 2 2 258.325 0.767 20 0 CCADLP C[NH2+]CCC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000262565162 131233842 /nfs/dbraw/zinc/23/38/42/131233842.db2.gz RLXWTRKDQIFPOC-UHFFFAOYSA-N 2 2 291.395 0.819 20 0 CCADLP COCCC[NH+]1CCC(NC(=O)CCn2cc[nH+]c2)CC1 ZINC000263697487 131310999 /nfs/dbraw/zinc/31/09/99/131310999.db2.gz ALYJBCNABFDRLY-UHFFFAOYSA-N 2 2 294.399 0.890 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000263864470 131349070 /nfs/dbraw/zinc/34/90/70/131349070.db2.gz BIGLGFILEFGHNK-ZDUSSCGKSA-N 2 2 295.387 0.245 20 0 CCADLP C[NH2+]CCCC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000269254193 132143666 /nfs/dbraw/zinc/14/36/66/132143666.db2.gz ITYRPCDYPWJBAV-UHFFFAOYSA-N 2 2 295.387 0.153 20 0 CCADLP CCn1cc[nH+]c1CNc1ccn(CC[NH+](C)C)n1 ZINC000532308455 285786641 /nfs/dbraw/zinc/78/66/41/285786641.db2.gz GWJAXLBRLXJPIR-UHFFFAOYSA-N 2 2 262.361 0.695 20 0 CCADLP C[C@H](c1ccncc1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030897 397391965 /nfs/dbraw/zinc/39/19/65/397391965.db2.gz LPOFGPMHKXPCIQ-GFCCVEGCSA-N 2 2 262.357 0.506 20 0 CCADLP C[C@H](c1ccncc1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030897 397391968 /nfs/dbraw/zinc/39/19/68/397391968.db2.gz LPOFGPMHKXPCIQ-GFCCVEGCSA-N 2 2 262.357 0.506 20 0 CCADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000353451966 397467482 /nfs/dbraw/zinc/46/74/82/397467482.db2.gz QCLZZTAWNNQCJB-QWHCGFSZSA-N 2 2 283.416 0.602 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357085074 144058319 /nfs/dbraw/zinc/05/83/19/144058319.db2.gz QFJRZPHLACENMO-LSDHHAIUSA-N 2 2 297.443 0.707 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357085074 144058320 /nfs/dbraw/zinc/05/83/20/144058320.db2.gz QFJRZPHLACENMO-LSDHHAIUSA-N 2 2 297.443 0.707 20 0 CCADLP C[C@H](C(=O)NCCCNc1cccc[nH+]1)C1C[NH2+]C1 ZINC000357177431 144067142 /nfs/dbraw/zinc/06/71/42/144067142.db2.gz PHOFUJGPNNLEPN-NSHDSACASA-N 2 2 262.357 0.855 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)C1 ZINC000357235721 144072209 /nfs/dbraw/zinc/07/22/09/144072209.db2.gz BKABRBITVXJSOV-ZIAGYGMSSA-N 2 2 283.416 0.506 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)C1 ZINC000357235721 144072211 /nfs/dbraw/zinc/07/22/11/144072211.db2.gz BKABRBITVXJSOV-ZIAGYGMSSA-N 2 2 283.416 0.506 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)C1 ZINC000357235721 144072213 /nfs/dbraw/zinc/07/22/13/144072213.db2.gz BKABRBITVXJSOV-ZIAGYGMSSA-N 2 2 283.416 0.506 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)C1 ZINC000357235721 144072215 /nfs/dbraw/zinc/07/22/15/144072215.db2.gz BKABRBITVXJSOV-ZIAGYGMSSA-N 2 2 283.416 0.506 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000357335655 144083040 /nfs/dbraw/zinc/08/30/40/144083040.db2.gz KJHITQXUYYDCOB-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCOC(C)(C)C2)CC1 ZINC000357335655 144083041 /nfs/dbraw/zinc/08/30/41/144083041.db2.gz KJHITQXUYYDCOB-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP CC(C)CNC(=O)[C@@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357644342 144108102 /nfs/dbraw/zinc/10/81/02/144108102.db2.gz HUFJYRZZUBPZSP-CYBMUJFWSA-N 2 2 285.432 0.536 20 0 CCADLP CC(C)CNC(=O)[C@@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357644342 144108103 /nfs/dbraw/zinc/10/81/03/144108103.db2.gz HUFJYRZZUBPZSP-CYBMUJFWSA-N 2 2 285.432 0.536 20 0 CCADLP CC[C@@H](C)NC(=O)[C@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357650615 144108841 /nfs/dbraw/zinc/10/88/41/144108841.db2.gz QEERAVNOALJUNZ-OLZOCXBDSA-N 2 2 285.432 0.678 20 0 CCADLP CC[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357650615 144108842 /nfs/dbraw/zinc/10/88/42/144108842.db2.gz QEERAVNOALJUNZ-OLZOCXBDSA-N 2 2 285.432 0.678 20 0 CCADLP CCCCNC(=O)[C@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357652312 144108882 /nfs/dbraw/zinc/10/88/82/144108882.db2.gz UJHKYHAEYDEEJT-ZDUSSCGKSA-N 2 2 285.432 0.680 20 0 CCADLP CCCCNC(=O)[C@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357652312 144108883 /nfs/dbraw/zinc/10/88/83/144108883.db2.gz UJHKYHAEYDEEJT-ZDUSSCGKSA-N 2 2 285.432 0.680 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@H](C)C[NH+](C)C)CCO1 ZINC000358524332 144158396 /nfs/dbraw/zinc/15/83/96/144158396.db2.gz UMWGZPYKVXUEKV-CHWSQXEVSA-N 2 2 286.420 0.347 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@H](C)C[NH+](C)C)CCO1 ZINC000358524332 144158398 /nfs/dbraw/zinc/15/83/98/144158398.db2.gz UMWGZPYKVXUEKV-CHWSQXEVSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000358669833 144170881 /nfs/dbraw/zinc/17/08/81/144170881.db2.gz AUQKRCWQCOLOCQ-MCIONIFRSA-N 2 2 283.416 0.506 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000358669833 144170880 /nfs/dbraw/zinc/17/08/80/144170880.db2.gz AUQKRCWQCOLOCQ-MCIONIFRSA-N 2 2 283.416 0.506 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC000370601425 144309523 /nfs/dbraw/zinc/30/95/23/144309523.db2.gz IXQXLPUCUKQDRV-CYBMUJFWSA-N 2 2 281.400 0.452 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000371199177 144321363 /nfs/dbraw/zinc/32/13/63/144321363.db2.gz RSQQZQLOYCQWEN-LBPRGKRZSA-N 2 2 264.329 0.718 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000371199177 144321365 /nfs/dbraw/zinc/32/13/65/144321365.db2.gz RSQQZQLOYCQWEN-LBPRGKRZSA-N 2 2 264.329 0.718 20 0 CCADLP c1coc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000371664080 144339847 /nfs/dbraw/zinc/33/98/47/144339847.db2.gz PRFUYTWLGHTPAA-CQSZACIVSA-N 2 2 279.384 0.776 20 0 CCADLP C[C@H](CNC(=O)[C@H]1C[C@]12CC[NH2+]C2)Cn1cc[nH+]c1 ZINC000372425338 144366722 /nfs/dbraw/zinc/36/67/22/144366722.db2.gz HZIIJIYKNXDDAK-BZPMIXESSA-N 2 2 262.357 0.635 20 0 CCADLP NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CCCn1cc[nH+]c1 ZINC000372753072 144380713 /nfs/dbraw/zinc/38/07/13/144380713.db2.gz UNRVXYWQLVSOBX-UPJWGTAASA-N 2 2 262.357 0.859 20 0 CCADLP NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CCCn1cc[nH+]c1 ZINC000372753072 144380714 /nfs/dbraw/zinc/38/07/14/144380714.db2.gz UNRVXYWQLVSOBX-UPJWGTAASA-N 2 2 262.357 0.859 20 0 CCADLP CC(=O)N1CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000388654931 397507059 /nfs/dbraw/zinc/50/70/59/397507059.db2.gz AHGMWRLMTJUYFO-AWEZNQCLSA-N 2 2 271.405 0.242 20 0 CCADLP CC(=O)N1CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000388654931 397507061 /nfs/dbraw/zinc/50/70/61/397507061.db2.gz AHGMWRLMTJUYFO-AWEZNQCLSA-N 2 2 271.405 0.242 20 0 CCADLP CC(=O)N1CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)CC1 ZINC000388654931 397507064 /nfs/dbraw/zinc/50/70/64/397507064.db2.gz AHGMWRLMTJUYFO-AWEZNQCLSA-N 2 2 271.405 0.242 20 0 CCADLP CC(=O)N1CCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)CC1 ZINC000388654931 397507068 /nfs/dbraw/zinc/50/70/68/397507068.db2.gz AHGMWRLMTJUYFO-AWEZNQCLSA-N 2 2 271.405 0.242 20 0 CCADLP Cc1noc(CCC[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)n1 ZINC000649684940 397655355 /nfs/dbraw/zinc/65/53/55/397655355.db2.gz IFTOQPGWOWOVRL-UHFFFAOYSA-N 2 2 295.387 0.016 20 0 CCADLP Cc1noc(CCC[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)n1 ZINC000649684940 397655358 /nfs/dbraw/zinc/65/53/58/397655358.db2.gz IFTOQPGWOWOVRL-UHFFFAOYSA-N 2 2 295.387 0.016 20 0 CCADLP c1csc(CN2CC[NH+](CCN3CC[NH2+]CC3)CC2)c1 ZINC000649411067 397606154 /nfs/dbraw/zinc/60/61/54/397606154.db2.gz KZGJTOLIJSGBOE-UHFFFAOYSA-N 2 2 294.468 0.771 20 0 CCADLP Cc1ccnc(NC(=O)C[N@H+](C)CCOCC[NH3+])c1 ZINC000649412148 397606598 /nfs/dbraw/zinc/60/65/98/397606598.db2.gz NYGSVSMXAFDEFY-UHFFFAOYSA-N 2 2 266.345 0.236 20 0 CCADLP Cc1ccnc(NC(=O)C[N@@H+](C)CCOCC[NH3+])c1 ZINC000649412148 397606599 /nfs/dbraw/zinc/60/65/99/397606599.db2.gz NYGSVSMXAFDEFY-UHFFFAOYSA-N 2 2 266.345 0.236 20 0 CCADLP Cn1ncnc1C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000649420427 397610171 /nfs/dbraw/zinc/61/01/71/397610171.db2.gz NDHFBVSYSWQNEQ-OCCSQVGLSA-N 2 2 279.388 0.533 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](C[C@@H]2CCCCO2)CC1=O ZINC000649688069 397656929 /nfs/dbraw/zinc/65/69/29/397656929.db2.gz PWGNVKQXSYGQNO-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](C[C@@H]2CCCCO2)CC1=O ZINC000649688069 397656932 /nfs/dbraw/zinc/65/69/32/397656932.db2.gz PWGNVKQXSYGQNO-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP C[C@H](CC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)n1cc[nH+]c1 ZINC000649850778 397673984 /nfs/dbraw/zinc/67/39/84/397673984.db2.gz AJVUWQYOMFXMSL-FRRDWIJNSA-N 2 2 280.372 0.670 20 0 CCADLP C[C@H](CC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)n1cc[nH+]c1 ZINC000649850778 397673986 /nfs/dbraw/zinc/67/39/86/397673986.db2.gz AJVUWQYOMFXMSL-FRRDWIJNSA-N 2 2 280.372 0.670 20 0 CCADLP O=C(Nc1c[nH+]c2n1CCCC2)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000650568454 397731135 /nfs/dbraw/zinc/73/11/35/397731135.db2.gz IRLVIQVCGIQGEW-LBPRGKRZSA-N 2 2 289.383 0.548 20 0 CCADLP O=C(Nc1c[nH+]c2n1CCCC2)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000650568454 397731140 /nfs/dbraw/zinc/73/11/40/397731140.db2.gz IRLVIQVCGIQGEW-LBPRGKRZSA-N 2 2 289.383 0.548 20 0 CCADLP Cc1cc(NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc[nH+]1 ZINC000650107166 397696287 /nfs/dbraw/zinc/69/62/87/397696287.db2.gz KXIWQZOXUYJCAG-CYBMUJFWSA-N 2 2 276.340 0.095 20 0 CCADLP Cc1cc(NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc[nH+]1 ZINC000650107166 397696289 /nfs/dbraw/zinc/69/62/89/397696289.db2.gz KXIWQZOXUYJCAG-CYBMUJFWSA-N 2 2 276.340 0.095 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCC1CC[NH2+]CC1 ZINC000650761739 397754476 /nfs/dbraw/zinc/75/44/76/397754476.db2.gz JBKUQASXDTVDIE-JSGCOSHPSA-N 3 2 255.406 0.733 20 0 CCADLP C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000548284361 286021934 /nfs/dbraw/zinc/02/19/34/286021934.db2.gz IYBFOCVVBDCORR-OLZOCXBDSA-N 2 2 291.399 0.839 20 0 CCADLP C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000548284361 286021935 /nfs/dbraw/zinc/02/19/35/286021935.db2.gz IYBFOCVVBDCORR-OLZOCXBDSA-N 2 2 291.399 0.839 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000548804983 286070126 /nfs/dbraw/zinc/07/01/26/286070126.db2.gz RGMPGKWBKNPSKS-UHFFFAOYSA-N 2 2 262.357 0.659 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000164133870 286085368 /nfs/dbraw/zinc/08/53/68/286085368.db2.gz JUGBXSBMRIPEKA-GFCCVEGCSA-N 2 2 271.405 0.541 20 0 CCADLP CN(C)S(=O)(=O)CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339429542 289244337 /nfs/dbraw/zinc/24/43/37/289244337.db2.gz UUKBAEAEYXAFIW-ZDUSSCGKSA-N 2 2 289.445 0.296 20 0 CCADLP CN(C)S(=O)(=O)CC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339429542 289244341 /nfs/dbraw/zinc/24/43/41/289244341.db2.gz UUKBAEAEYXAFIW-ZDUSSCGKSA-N 2 2 289.445 0.296 20 0 CCADLP CN(C)S(=O)(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339429542 289244345 /nfs/dbraw/zinc/24/43/45/289244345.db2.gz UUKBAEAEYXAFIW-ZDUSSCGKSA-N 2 2 289.445 0.296 20 0 CCADLP CN(C)S(=O)(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339429542 289244348 /nfs/dbraw/zinc/24/43/48/289244348.db2.gz UUKBAEAEYXAFIW-ZDUSSCGKSA-N 2 2 289.445 0.296 20 0 CCADLP CC[NH+]1CCN(CCNC(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000553239176 286186500 /nfs/dbraw/zinc/18/65/00/286186500.db2.gz DDWKUHYWNRTIHE-UHFFFAOYSA-N 2 2 282.432 0.082 20 0 CCADLP COCCC[N@H+](C)CC[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000495040340 292339495 /nfs/dbraw/zinc/33/94/95/292339495.db2.gz FHUXWYQDRXKJOI-LBPRGKRZSA-N 2 2 271.405 0.602 20 0 CCADLP COCCC[N@@H+](C)CC[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000495040340 292339496 /nfs/dbraw/zinc/33/94/96/292339496.db2.gz FHUXWYQDRXKJOI-LBPRGKRZSA-N 2 2 271.405 0.602 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152392550 292360504 /nfs/dbraw/zinc/36/05/04/292360504.db2.gz OETDIVBXHZTSAG-UONOGXRCSA-N 2 2 285.432 0.801 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152392550 292360506 /nfs/dbraw/zinc/36/05/06/292360506.db2.gz OETDIVBXHZTSAG-UONOGXRCSA-N 2 2 285.432 0.801 20 0 CCADLP COCCCNC(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152392550 292360507 /nfs/dbraw/zinc/36/05/07/292360507.db2.gz OETDIVBXHZTSAG-UONOGXRCSA-N 2 2 285.432 0.801 20 0 CCADLP COCCCNC(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152392550 292360510 /nfs/dbraw/zinc/36/05/10/292360510.db2.gz OETDIVBXHZTSAG-UONOGXRCSA-N 2 2 285.432 0.801 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000512448057 286816911 /nfs/dbraw/zinc/81/69/11/286816911.db2.gz PQABREWJAHAUMP-IHRRRGAJSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(=O)[nH]n1 ZINC000330606771 287035227 /nfs/dbraw/zinc/03/52/27/287035227.db2.gz JBQXZTJCECQXOR-NWDGAFQWSA-N 2 2 280.372 0.801 20 0 CCADLP C[C@@H]([NH2+][C@H]1CC(=O)N([C@H]2C[C@H]2C)C1)[C@H]1CCC[NH2+]1 ZINC000422918350 287065966 /nfs/dbraw/zinc/06/59/66/287065966.db2.gz HCTOJCCKQSKMFW-LBELIVKGSA-N 2 2 251.374 0.726 20 0 CCADLP C[C@@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)[C@@H](C)N1CCOCC1 ZINC000361183647 287071576 /nfs/dbraw/zinc/07/15/76/287071576.db2.gz ZUYBEJWDPKPWQY-SYQHCUMBSA-N 2 2 255.406 0.635 20 0 CCADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)[C@@H](C)N1CCOCC1 ZINC000361183647 287071578 /nfs/dbraw/zinc/07/15/78/287071578.db2.gz ZUYBEJWDPKPWQY-SYQHCUMBSA-N 2 2 255.406 0.635 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@]2(C)CC[NH2+]C2)C[C@H]1[NH+]1CCOCC1 ZINC000431017978 296887063 /nfs/dbraw/zinc/88/70/63/296887063.db2.gz TXRXDRRXNOHZPW-NFAWXSAZSA-N 2 2 281.400 0.165 20 0 CCADLP O[C@@H](C[NH2+]CCCCn1cc[nH+]c1)C[NH+]1CCCC1 ZINC000045107075 411635463 /nfs/dbraw/zinc/63/54/63/411635463.db2.gz AFOIPXBFRNNTTA-AWEZNQCLSA-N 3 2 266.389 0.710 20 0 CCADLP COc1cccc(CNC(=O)C[N@H+](C)CCC[NH3+])c1 ZINC000123274319 411710506 /nfs/dbraw/zinc/71/05/06/411710506.db2.gz TZFOLMVUZPMKDD-UHFFFAOYSA-N 2 2 265.357 0.592 20 0 CCADLP COc1cccc(CNC(=O)C[N@@H+](C)CCC[NH3+])c1 ZINC000123274319 411710512 /nfs/dbraw/zinc/71/05/12/411710512.db2.gz TZFOLMVUZPMKDD-UHFFFAOYSA-N 2 2 265.357 0.592 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000049154312 411670049 /nfs/dbraw/zinc/67/00/49/411670049.db2.gz YQBDQHCDJNJZTQ-VXGBXAGGSA-N 2 2 265.361 0.665 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000049154312 411670053 /nfs/dbraw/zinc/67/00/53/411670053.db2.gz YQBDQHCDJNJZTQ-VXGBXAGGSA-N 2 2 265.361 0.665 20 0 CCADLP CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@H]1CCCOC1 ZINC000402707907 411783574 /nfs/dbraw/zinc/78/35/74/411783574.db2.gz RCOBJQKUTNGVAX-KBPBESRZSA-N 2 2 256.390 0.942 20 0 CCADLP CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@H]1CCCOC1 ZINC000402707907 411783576 /nfs/dbraw/zinc/78/35/76/411783576.db2.gz RCOBJQKUTNGVAX-KBPBESRZSA-N 2 2 256.390 0.942 20 0 CCADLP CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@H]1CCCOC1 ZINC000402707907 411783582 /nfs/dbraw/zinc/78/35/82/411783582.db2.gz RCOBJQKUTNGVAX-KBPBESRZSA-N 2 2 256.390 0.942 20 0 CCADLP CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@H]1CCCOC1 ZINC000402707907 411783585 /nfs/dbraw/zinc/78/35/85/411783585.db2.gz RCOBJQKUTNGVAX-KBPBESRZSA-N 2 2 256.390 0.942 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1ccc(CO)cc1 ZINC000133083815 411727790 /nfs/dbraw/zinc/72/77/90/411727790.db2.gz MIOKVGRDRMGDHN-OAHLLOKOSA-N 2 2 263.385 0.514 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1ccc(CO)cc1 ZINC000133083815 411727796 /nfs/dbraw/zinc/72/77/96/411727796.db2.gz MIOKVGRDRMGDHN-OAHLLOKOSA-N 2 2 263.385 0.514 20 0 CCADLP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(CC)CC)C[C@H]1C[NH3+] ZINC000405228597 411800624 /nfs/dbraw/zinc/80/06/24/411800624.db2.gz UUIYWDZIEHLXBN-OUCADQQQSA-N 2 2 285.432 0.975 20 0 CCADLP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(CC)CC)C[C@H]1C[NH3+] ZINC000405228597 411800626 /nfs/dbraw/zinc/80/06/26/411800626.db2.gz UUIYWDZIEHLXBN-OUCADQQQSA-N 2 2 285.432 0.975 20 0 CCADLP O[C@@H]1CC[N@H+](C2CN(c3cc(N4CCCC4)[nH+]cn3)C2)C1 ZINC000651452669 411877191 /nfs/dbraw/zinc/87/71/91/411877191.db2.gz UUHTXDLYSUASFG-CYBMUJFWSA-N 2 2 289.383 0.332 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC[C@]1(O)CCOC1 ZINC000651944265 411965299 /nfs/dbraw/zinc/96/52/99/411965299.db2.gz RALSXHGYSLZIFK-BNOWGMLFSA-N 2 2 254.374 0.600 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC[C@]1(O)CCOC1 ZINC000651944265 411965303 /nfs/dbraw/zinc/96/53/03/411965303.db2.gz RALSXHGYSLZIFK-BNOWGMLFSA-N 2 2 254.374 0.600 20 0 CCADLP CCn1c[nH+]cc1CN1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651977723 411970320 /nfs/dbraw/zinc/97/03/20/411970320.db2.gz YLRGDSLBDHNEQZ-CYBMUJFWSA-N 2 2 250.346 0.154 20 0 CCADLP CCn1c[nH+]cc1CN1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651977723 411970324 /nfs/dbraw/zinc/97/03/24/411970324.db2.gz YLRGDSLBDHNEQZ-CYBMUJFWSA-N 2 2 250.346 0.154 20 0 CCADLP CCn1c[nH+]cc1CN1CC[NH+](CCOCCOC)CC1 ZINC000652061667 411982648 /nfs/dbraw/zinc/98/26/48/411982648.db2.gz LQGPENBWZRYJSD-UHFFFAOYSA-N 2 2 296.415 0.684 20 0 CCADLP COCC[NH2+]C1CC[NH+](CCn2c(C)csc2=O)CC1 ZINC000652345288 412034621 /nfs/dbraw/zinc/03/46/21/412034621.db2.gz RCNSSYVLQLIWLL-UHFFFAOYSA-N 2 2 299.440 0.919 20 0 CCADLP Cn1nnnc1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652363829 412039801 /nfs/dbraw/zinc/03/98/01/412039801.db2.gz PEEOQXPPYYJZDL-IJLUTSLNSA-N 2 2 280.376 0.071 20 0 CCADLP Cn1nnnc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652363829 412039804 /nfs/dbraw/zinc/03/98/04/412039804.db2.gz PEEOQXPPYYJZDL-IJLUTSLNSA-N 2 2 280.376 0.071 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)NCC[NH2+]C1CC1 ZINC000653048273 412199854 /nfs/dbraw/zinc/19/98/54/412199854.db2.gz UDOGQLUDWYDDEC-UHFFFAOYSA-N 2 2 262.357 0.630 20 0 CCADLP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653054039 412202123 /nfs/dbraw/zinc/20/21/23/412202123.db2.gz RRHNQVYOYIIGAH-GXFFZTMASA-N 3 2 264.373 0.924 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC000653094119 412215372 /nfs/dbraw/zinc/21/53/72/412215372.db2.gz XMZIRYDNUWRGAQ-RKDXNWHRSA-N 2 2 283.294 0.055 20 0 CCADLP COc1ccc(C)cc1CCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653061730 412205130 /nfs/dbraw/zinc/20/51/30/412205130.db2.gz ZWTDAMWGPBXRIT-CQSZACIVSA-N 2 2 293.411 0.941 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000653065595 412207291 /nfs/dbraw/zinc/20/72/91/412207291.db2.gz LNGLDTRHZWAROS-MELADBBJSA-N 2 2 261.369 0.938 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@H](O)C1CCCCC1 ZINC000653072359 412208491 /nfs/dbraw/zinc/20/84/91/412208491.db2.gz OZMOPWMLNUANCU-OLZOCXBDSA-N 2 2 271.405 0.323 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC(C)(C)O1 ZINC000653077983 412210412 /nfs/dbraw/zinc/21/04/12/412210412.db2.gz QSUUIQQHIZDREO-GHMZBOCLSA-N 2 2 257.378 0.291 20 0 CCADLP CCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653082806 412212959 /nfs/dbraw/zinc/21/29/59/412212959.db2.gz FHFNELSQECRCBS-OLZOCXBDSA-N 2 2 298.431 0.030 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000652925813 412167016 /nfs/dbraw/zinc/16/70/16/412167016.db2.gz AAIHRHRRKKTHPL-UHFFFAOYSA-N 2 2 280.372 0.452 20 0 CCADLP COCC[N@H+]1CCN(C(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000652925813 412167019 /nfs/dbraw/zinc/16/70/19/412167019.db2.gz AAIHRHRRKKTHPL-UHFFFAOYSA-N 2 2 280.372 0.452 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H](C)CO1 ZINC000653203507 412259259 /nfs/dbraw/zinc/25/92/59/412259259.db2.gz PCPHAQXBIGWIDJ-IJLUTSLNSA-N 2 2 257.378 0.291 20 0 CCADLP CC1CC[NH+](CCCNC(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653107065 412219660 /nfs/dbraw/zinc/21/96/60/412219660.db2.gz WGOCLZXYNSTGTC-CQSZACIVSA-N 3 2 284.448 0.504 20 0 CCADLP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653109518 412222905 /nfs/dbraw/zinc/22/29/05/412222905.db2.gz DJVAIAVQYZMKMW-OLZOCXBDSA-N 3 2 270.421 0.256 20 0 CCADLP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653109518 412222909 /nfs/dbraw/zinc/22/29/09/412222909.db2.gz DJVAIAVQYZMKMW-OLZOCXBDSA-N 3 2 270.421 0.256 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000653113436 412225950 /nfs/dbraw/zinc/22/59/50/412225950.db2.gz BUAKMUVADBOZOR-HNNXBMFYSA-N 3 2 292.427 0.860 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653116898 412227806 /nfs/dbraw/zinc/22/78/06/412227806.db2.gz XQYHDRBGEUVTFD-KWCYVHTRSA-N 2 2 281.400 0.354 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653116898 412227809 /nfs/dbraw/zinc/22/78/09/412227809.db2.gz XQYHDRBGEUVTFD-KWCYVHTRSA-N 2 2 281.400 0.354 20 0 CCADLP Cc1nc(C)c(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)s1 ZINC000653120946 412229784 /nfs/dbraw/zinc/22/97/84/412229784.db2.gz IGVJBLHMHSXMNU-SNVBAGLBSA-N 2 2 270.402 0.655 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000653124220 412232224 /nfs/dbraw/zinc/23/22/24/412232224.db2.gz UWVAYAAKTMDCKN-AWEZNQCLSA-N 3 2 291.399 0.009 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1nc(C2CC2)cs1 ZINC000653122760 412232425 /nfs/dbraw/zinc/23/24/25/412232425.db2.gz CZUOEOGPRWNSFO-SNVBAGLBSA-N 2 2 282.413 0.916 20 0 CCADLP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653134737 412237617 /nfs/dbraw/zinc/23/76/17/412237617.db2.gz JKASEKDYMFZLBP-AAEUAGOBSA-N 2 2 276.384 0.876 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000653138741 412238223 /nfs/dbraw/zinc/23/82/23/412238223.db2.gz ISZOZODOLQFSDM-OAHLLOKOSA-N 3 2 292.427 0.295 20 0 CCADLP CCc1ncc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cn1 ZINC000653149778 412242454 /nfs/dbraw/zinc/24/24/54/412242454.db2.gz FJXYXHRDVBKEQY-SNVBAGLBSA-N 2 2 251.334 0.257 20 0 CCADLP Cc1csc([C@H](C)CNC(=O)[C@H]([NH3+])CC[NH+](C)C)n1 ZINC000653151395 412243692 /nfs/dbraw/zinc/24/36/92/412243692.db2.gz FQRZLZPGSNDXIX-MWLCHTKSSA-N 2 2 284.429 0.950 20 0 CCADLP CCc1ccnc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000653151468 412243823 /nfs/dbraw/zinc/24/38/23/412243823.db2.gz HUQCEMVWDUSFKD-ZDUSSCGKSA-N 2 2 264.373 0.539 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H]1CC12CCSCC2 ZINC000653165487 412249561 /nfs/dbraw/zinc/24/95/61/412249561.db2.gz PFECTYUJUUXENN-NEPJUHHUSA-N 2 2 285.457 0.915 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000653167882 412249987 /nfs/dbraw/zinc/24/99/87/412249987.db2.gz IAUYXCWACUNRMS-VXGBXAGGSA-N 3 2 268.405 0.056 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](n2ccnc2)C1 ZINC000653547548 412316489 /nfs/dbraw/zinc/31/64/89/412316489.db2.gz OWHVGYKWHWYBSG-LSDHHAIUSA-N 2 2 296.415 0.459 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](n2ccnc2)C1 ZINC000653547548 412316492 /nfs/dbraw/zinc/31/64/92/412316492.db2.gz OWHVGYKWHWYBSG-LSDHHAIUSA-N 2 2 296.415 0.459 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000653547548 412316495 /nfs/dbraw/zinc/31/64/95/412316495.db2.gz OWHVGYKWHWYBSG-LSDHHAIUSA-N 2 2 296.415 0.459 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000653547548 412316497 /nfs/dbraw/zinc/31/64/97/412316497.db2.gz OWHVGYKWHWYBSG-LSDHHAIUSA-N 2 2 296.415 0.459 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](n2ccnc2)C1 ZINC000653547151 412316816 /nfs/dbraw/zinc/31/68/16/412316816.db2.gz ASOXXAQNCJTYKO-UONOGXRCSA-N 2 2 266.389 0.833 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](n2ccnc2)C1 ZINC000653547151 412316818 /nfs/dbraw/zinc/31/68/18/412316818.db2.gz ASOXXAQNCJTYKO-UONOGXRCSA-N 2 2 266.389 0.833 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000653547151 412316821 /nfs/dbraw/zinc/31/68/21/412316821.db2.gz ASOXXAQNCJTYKO-UONOGXRCSA-N 2 2 266.389 0.833 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000653547151 412316824 /nfs/dbraw/zinc/31/68/24/412316824.db2.gz ASOXXAQNCJTYKO-UONOGXRCSA-N 2 2 266.389 0.833 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CN1CCOCC1 ZINC000653559586 412317592 /nfs/dbraw/zinc/31/75/92/412317592.db2.gz JLXOZPVKCCQRAA-CABCVRRESA-N 2 2 285.432 0.096 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CN1CCOCC1 ZINC000653559586 412317594 /nfs/dbraw/zinc/31/75/94/412317594.db2.gz JLXOZPVKCCQRAA-CABCVRRESA-N 2 2 285.432 0.096 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000653559586 412317597 /nfs/dbraw/zinc/31/75/97/412317597.db2.gz JLXOZPVKCCQRAA-CABCVRRESA-N 2 2 285.432 0.096 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000653559586 412317601 /nfs/dbraw/zinc/31/76/01/412317601.db2.gz JLXOZPVKCCQRAA-CABCVRRESA-N 2 2 285.432 0.096 20 0 CCADLP CC[N@H+](C)C[C@H](O)CN1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000653559586 412317605 /nfs/dbraw/zinc/31/76/05/412317605.db2.gz JLXOZPVKCCQRAA-CABCVRRESA-N 2 2 285.432 0.096 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654659015 412424114 /nfs/dbraw/zinc/42/41/14/412424114.db2.gz ZNFYSORVMZTWHX-OKILXGFUSA-N 2 2 298.431 0.300 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000655038073 412465854 /nfs/dbraw/zinc/46/58/54/412465854.db2.gz KLGMLESMBQEZGR-ZIAGYGMSSA-N 2 2 283.416 0.506 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)C(C)(C)C1)[C@H]1CCSC1 ZINC000655051724 412468597 /nfs/dbraw/zinc/46/85/97/412468597.db2.gz BMZUGIZSTTZNDA-LBPRGKRZSA-N 2 2 285.457 0.976 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)C(C)(C)C1)[C@H]1CCSC1 ZINC000655051724 412468599 /nfs/dbraw/zinc/46/85/99/412468599.db2.gz BMZUGIZSTTZNDA-LBPRGKRZSA-N 2 2 285.457 0.976 20 0 CCADLP C[NH+](CC(=O)N1CC[N@H+](C)C(C)(C)C1)[C@H]1CCSC1 ZINC000655051724 412468601 /nfs/dbraw/zinc/46/86/01/412468601.db2.gz BMZUGIZSTTZNDA-LBPRGKRZSA-N 2 2 285.457 0.976 20 0 CCADLP C[NH+](CC(=O)N1CC[N@@H+](C)C(C)(C)C1)[C@H]1CCSC1 ZINC000655051724 412468603 /nfs/dbraw/zinc/46/86/03/412468603.db2.gz BMZUGIZSTTZNDA-LBPRGKRZSA-N 2 2 285.457 0.976 20 0 CCADLP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000659435752 413495712 /nfs/dbraw/zinc/49/57/12/413495712.db2.gz MTHRTTXTWYZZBB-CHWSQXEVSA-N 2 2 286.420 0.380 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000659450589 413507946 /nfs/dbraw/zinc/50/79/46/413507946.db2.gz RASGNPSOIROLSN-TUAOUCFPSA-N 2 2 272.393 0.003 20 0 CCADLP C[C@@H](NC(=O)N(C)CC(C)(C)[NH3+])[C@@H](C)[NH+]1CCOCC1 ZINC000659450083 413508441 /nfs/dbraw/zinc/50/84/41/413508441.db2.gz GPTGJOWVGOLIGG-VXGBXAGGSA-N 2 2 286.420 0.474 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c2[nH+]ccn21 ZINC000659501345 413554995 /nfs/dbraw/zinc/55/49/95/413554995.db2.gz KNEHPCSDWRHGRC-LNFKQOIKSA-N 2 2 281.335 0.970 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000659502055 413555711 /nfs/dbraw/zinc/55/57/11/413555711.db2.gz SPPWULDXXJHBPV-IVZWLZJFSA-N 2 2 251.334 0.796 20 0 CCADLP C[C@H](NC(=O)NC[C@H]1CCCC[NH2+]1)c1[nH+]ccn1C ZINC000659508210 413567403 /nfs/dbraw/zinc/56/74/03/413567403.db2.gz ONVXILWZKBDEPK-WDEREUQCSA-N 2 2 265.361 0.922 20 0 CCADLP C[C@@H](NC(=O)NC[C@H]1CCC[NH2+]1)c1[nH+]ccn1C ZINC000659517237 413585767 /nfs/dbraw/zinc/58/57/67/413585767.db2.gz ZMZMAJIFZDCGPE-NXEZZACHSA-N 2 2 251.334 0.532 20 0 CCADLP O=C(NCC[C@@H]1CC[NH2+]C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659513234 413575968 /nfs/dbraw/zinc/57/59/68/413575968.db2.gz HICGZPGNXHMOPN-UONOGXRCSA-N 2 2 296.415 0.102 20 0 CCADLP COC[C@]1(CNC(=O)N[C@@H](C)c2[nH+]ccn2C)CCC[NH2+]1 ZINC000659540498 413629210 /nfs/dbraw/zinc/62/92/10/413629210.db2.gz DRTJNJIPKNMEBH-SMDDNHRTSA-N 2 2 295.387 0.549 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC2=CCCC2)[C@@H](C[NH3+])C1 ZINC000659607985 413692400 /nfs/dbraw/zinc/69/24/00/413692400.db2.gz IQXSNRMLHPMENS-LBPRGKRZSA-N 2 2 252.362 0.381 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC2=CCCC2)[C@@H](C[NH3+])C1 ZINC000659607985 413692409 /nfs/dbraw/zinc/69/24/09/413692409.db2.gz IQXSNRMLHPMENS-LBPRGKRZSA-N 2 2 252.362 0.381 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000659637961 413738799 /nfs/dbraw/zinc/73/87/99/413738799.db2.gz QOCRSQVRBMBKFT-WDEREUQCSA-N 2 2 265.361 0.527 20 0 CCADLP CC1(C)C[C@@H]([NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)CO1 ZINC000659877714 413933285 /nfs/dbraw/zinc/93/32/85/413933285.db2.gz JZGHILFYJAFFMO-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP CO[C@H](C[NH+]1CCN(C(=O)C[NH+](C)C)CC1)C1CCC1 ZINC000659837923 413907202 /nfs/dbraw/zinc/90/72/02/413907202.db2.gz LAGIBRFPHWCMJT-CQSZACIVSA-N 2 2 283.416 0.507 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@@H]2COC(C)(C)C2)CC1 ZINC000660013641 414055639 /nfs/dbraw/zinc/05/56/39/414055639.db2.gz RVDATZADZPEKPW-KBPBESRZSA-N 2 2 295.427 0.792 20 0 CCADLP COCCO[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000660140287 414142778 /nfs/dbraw/zinc/14/27/78/414142778.db2.gz NIOABLFSYFZGLQ-LSDHHAIUSA-N 2 2 288.432 0.815 20 0 CCADLP COCCO[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000660140287 414142788 /nfs/dbraw/zinc/14/27/88/414142788.db2.gz NIOABLFSYFZGLQ-LSDHHAIUSA-N 2 2 288.432 0.815 20 0 CCADLP COCCO[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000660140287 414142794 /nfs/dbraw/zinc/14/27/94/414142794.db2.gz NIOABLFSYFZGLQ-LSDHHAIUSA-N 2 2 288.432 0.815 20 0 CCADLP COCCO[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000660140287 414142801 /nfs/dbraw/zinc/14/28/01/414142801.db2.gz NIOABLFSYFZGLQ-LSDHHAIUSA-N 2 2 288.432 0.815 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000660236029 414201479 /nfs/dbraw/zinc/20/14/79/414201479.db2.gz VDBYVKKZDZDMDO-OAHLLOKOSA-N 2 2 299.459 0.878 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000660236029 414201487 /nfs/dbraw/zinc/20/14/87/414201487.db2.gz VDBYVKKZDZDMDO-OAHLLOKOSA-N 2 2 299.459 0.878 20 0 CCADLP Cc1cn2c([nH+]1)CN(C[C@H](O)C[N@@H+](C)C(C)C)CC2 ZINC000660242607 414206546 /nfs/dbraw/zinc/20/65/46/414206546.db2.gz QQRPIFZWEZMUIT-CYBMUJFWSA-N 2 2 266.389 0.708 20 0 CCADLP Cc1cn2c([nH+]1)CN(C[C@H](O)C[N@H+](C)C(C)C)CC2 ZINC000660242607 414206557 /nfs/dbraw/zinc/20/65/57/414206557.db2.gz QQRPIFZWEZMUIT-CYBMUJFWSA-N 2 2 266.389 0.708 20 0 CCADLP OC1(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)CCSCC1 ZINC000660418517 414305519 /nfs/dbraw/zinc/30/55/19/414305519.db2.gz BSWUFFFNHKBSMN-UHFFFAOYSA-N 2 2 282.413 0.790 20 0 CCADLP C(C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)N1CCOCC1 ZINC000660473918 414346249 /nfs/dbraw/zinc/34/62/49/414346249.db2.gz WBHCJWDLSKHHDN-INIZCTEOSA-N 2 2 297.443 0.505 20 0 CCADLP C(C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)N1CCOCC1 ZINC000660473918 414346256 /nfs/dbraw/zinc/34/62/56/414346256.db2.gz WBHCJWDLSKHHDN-INIZCTEOSA-N 2 2 297.443 0.505 20 0 CCADLP O=C1C[C@H](C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)CN1 ZINC000660485302 414352604 /nfs/dbraw/zinc/35/26/04/414352604.db2.gz VFPDQDYXWFSAQW-KGLIPLIRSA-N 2 2 281.400 0.167 20 0 CCADLP O=C1C[C@H](C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)CN1 ZINC000660485302 414352611 /nfs/dbraw/zinc/35/26/11/414352611.db2.gz VFPDQDYXWFSAQW-KGLIPLIRSA-N 2 2 281.400 0.167 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660658284 414433756 /nfs/dbraw/zinc/43/37/56/414433756.db2.gz DMEDZMOUKGVKMM-CYBMUJFWSA-N 2 2 289.445 0.343 20 0 CCADLP CCS(=O)(=O)NCC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660658284 414433758 /nfs/dbraw/zinc/43/37/58/414433758.db2.gz DMEDZMOUKGVKMM-CYBMUJFWSA-N 2 2 289.445 0.343 20 0 CCADLP CCS(=O)(=O)NCC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660658284 414433762 /nfs/dbraw/zinc/43/37/62/414433762.db2.gz DMEDZMOUKGVKMM-CYBMUJFWSA-N 2 2 289.445 0.343 20 0 CCADLP CCS(=O)(=O)NCC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660658284 414433766 /nfs/dbraw/zinc/43/37/66/414433766.db2.gz DMEDZMOUKGVKMM-CYBMUJFWSA-N 2 2 289.445 0.343 20 0 CCADLP CCN1CC[C@@H]([NH+]2CCC(CO)([NH2+]CC(C)C)CC2)C1=O ZINC000660696775 414444615 /nfs/dbraw/zinc/44/46/15/414444615.db2.gz UUFRQEDCVWGVJY-CQSZACIVSA-N 2 2 297.443 0.680 20 0 CCADLP CC(C)C[NH2+]C1(CO)CCN(Cc2cn(C)c[nH+]2)CC1 ZINC000660697750 414447937 /nfs/dbraw/zinc/44/79/37/414447937.db2.gz KEECGRBNXRETEA-UHFFFAOYSA-N 2 2 280.416 0.993 20 0 CCADLP C[C@@H](NC(=O)N(C)CC1C[NH+](C)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000660708129 414455316 /nfs/dbraw/zinc/45/53/16/414455316.db2.gz VQNUMWKVLDWXDH-CHWSQXEVSA-N 2 2 298.431 0.299 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000661045643 414547379 /nfs/dbraw/zinc/54/73/79/414547379.db2.gz OADDCSLEXHHUST-GFCCVEGCSA-N 2 2 277.372 0.401 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C1CC1)C1(CO)CCC1 ZINC000660771261 414477488 /nfs/dbraw/zinc/47/74/88/414477488.db2.gz NUWACZCGQJBRDQ-CQSZACIVSA-N 2 2 286.416 0.305 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C1CC1)C1(CO)CCC1 ZINC000660771261 414477492 /nfs/dbraw/zinc/47/74/92/414477492.db2.gz NUWACZCGQJBRDQ-CQSZACIVSA-N 2 2 286.416 0.305 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C1CC1)C1(CO)CCC1 ZINC000660771261 414477496 /nfs/dbraw/zinc/47/74/96/414477496.db2.gz NUWACZCGQJBRDQ-CQSZACIVSA-N 2 2 286.416 0.305 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C1CC1)C1(CO)CCC1 ZINC000660771261 414477499 /nfs/dbraw/zinc/47/74/99/414477499.db2.gz NUWACZCGQJBRDQ-CQSZACIVSA-N 2 2 286.416 0.305 20 0 CCADLP CC[N@@H+]1CCCN(CC[NH+]2CCOCC2)[C@H](C)C1 ZINC000660791590 414481367 /nfs/dbraw/zinc/48/13/67/414481367.db2.gz PXCPQJKDCOXHBV-CQSZACIVSA-N 2 2 255.406 0.735 20 0 CCADLP CC[N@H+]1CCCN(CC[NH+]2CCOCC2)[C@H](C)C1 ZINC000660791590 414481372 /nfs/dbraw/zinc/48/13/72/414481372.db2.gz PXCPQJKDCOXHBV-CQSZACIVSA-N 2 2 255.406 0.735 20 0 CCADLP Cc1[nH+]ccn1CCN1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000660824501 414493506 /nfs/dbraw/zinc/49/35/06/414493506.db2.gz OHJSUWCNWSDPGG-QWHCGFSZSA-N 2 2 266.389 0.578 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660844686 414503540 /nfs/dbraw/zinc/50/35/40/414503540.db2.gz SMYALRFRCQNWBN-UHFFFAOYSA-N 2 2 251.290 0.573 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660844686 414503544 /nfs/dbraw/zinc/50/35/44/414503544.db2.gz SMYALRFRCQNWBN-UHFFFAOYSA-N 2 2 251.290 0.573 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H](CO)Cc1ccccc1 ZINC000661093575 414555886 /nfs/dbraw/zinc/55/58/86/414555886.db2.gz NXMBRIVYKUQLPT-HOTGVXAUSA-N 2 2 280.412 0.834 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](CO)Cc1ccccc1 ZINC000661093575 414555888 /nfs/dbraw/zinc/55/58/88/414555888.db2.gz NXMBRIVYKUQLPT-HOTGVXAUSA-N 2 2 280.412 0.834 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H](CO)Cc1ccccc1 ZINC000661093575 414555892 /nfs/dbraw/zinc/55/58/92/414555892.db2.gz NXMBRIVYKUQLPT-HOTGVXAUSA-N 2 2 280.412 0.834 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](CO)Cc1ccccc1 ZINC000661093575 414555897 /nfs/dbraw/zinc/55/58/97/414555897.db2.gz NXMBRIVYKUQLPT-HOTGVXAUSA-N 2 2 280.412 0.834 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC2(CCC2)OC[C@H]1C ZINC000661462061 414629012 /nfs/dbraw/zinc/62/90/12/414629012.db2.gz GFGTWRAWDHILAY-CHWSQXEVSA-N 2 2 256.390 0.942 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC2(CCC2)OC[C@H]1C ZINC000661462061 414629014 /nfs/dbraw/zinc/62/90/14/414629014.db2.gz GFGTWRAWDHILAY-CHWSQXEVSA-N 2 2 256.390 0.942 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC2(CCC2)OC[C@H]1C ZINC000661462061 414629015 /nfs/dbraw/zinc/62/90/15/414629015.db2.gz GFGTWRAWDHILAY-CHWSQXEVSA-N 2 2 256.390 0.942 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC2(CCC2)OC[C@H]1C ZINC000661462061 414629017 /nfs/dbraw/zinc/62/90/17/414629017.db2.gz GFGTWRAWDHILAY-CHWSQXEVSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@@H]1COC2(CCC2)C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000661465549 414630768 /nfs/dbraw/zinc/63/07/68/414630768.db2.gz HXLXHXQTCNEPMO-CYBMUJFWSA-N 2 2 281.400 0.404 20 0 CCADLP C[C@@H]1COC2(CCC2)C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000661465549 414630771 /nfs/dbraw/zinc/63/07/71/414630771.db2.gz HXLXHXQTCNEPMO-CYBMUJFWSA-N 2 2 281.400 0.404 20 0 CCADLP CO[C@@H](C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)C1CCC1 ZINC000662267557 414703430 /nfs/dbraw/zinc/70/34/30/414703430.db2.gz VLDNPXJQRVGRLR-GJZGRUSLSA-N 2 2 295.427 0.698 20 0 CCADLP CO[C@@H](C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)C1CCC1 ZINC000662267557 414703431 /nfs/dbraw/zinc/70/34/31/414703431.db2.gz VLDNPXJQRVGRLR-GJZGRUSLSA-N 2 2 295.427 0.698 20 0 CCADLP [NH3+]CCC[N@H+](CC1CCCC1)C[C@H]1C[NH2+]CCO1 ZINC000662272343 414703670 /nfs/dbraw/zinc/70/36/70/414703670.db2.gz FBXWYSAXBQYZKL-CQSZACIVSA-N 3 2 255.406 0.816 20 0 CCADLP [NH3+]CCC[N@@H+](CC1CCCC1)C[C@H]1C[NH2+]CCO1 ZINC000662272343 414703671 /nfs/dbraw/zinc/70/36/71/414703671.db2.gz FBXWYSAXBQYZKL-CQSZACIVSA-N 3 2 255.406 0.816 20 0 CCADLP CC(C)[C@H](C[NH2+]Cc1ccn[nH]1)N1CC[NH+](C)CC1 ZINC000040770262 174399799 /nfs/dbraw/zinc/39/97/99/174399799.db2.gz OQDOIRMFSBJRLW-AWEZNQCLSA-N 2 2 265.405 0.771 20 0 CCADLP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662281237 414705571 /nfs/dbraw/zinc/70/55/71/414705571.db2.gz KQQOEKUSIKKIHQ-KFWWJZLASA-N 3 2 283.416 0.193 20 0 CCADLP CC1CCC(NC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)CC1 ZINC000662286236 414706506 /nfs/dbraw/zinc/70/65/06/414706506.db2.gz NYFNTXUKFHVPSN-UHFFFAOYSA-N 2 2 283.416 0.385 20 0 CCADLP [NH3+]CC[N@H+](CC[C@@H]1CCc2ccccc21)C[C@H](O)CO ZINC000662286689 414706819 /nfs/dbraw/zinc/70/68/19/414706819.db2.gz XMCCNTOGKZTCQM-GJZGRUSLSA-N 2 2 278.396 0.720 20 0 CCADLP [NH3+]CC[N@@H+](CC[C@@H]1CCc2ccccc21)C[C@H](O)CO ZINC000662286689 414706820 /nfs/dbraw/zinc/70/68/20/414706820.db2.gz XMCCNTOGKZTCQM-GJZGRUSLSA-N 2 2 278.396 0.720 20 0 CCADLP [NH3+]CC[N@@H+](Cc1cccc2cccnc21)C[C@H](O)CO ZINC000662288021 414707254 /nfs/dbraw/zinc/70/72/54/414707254.db2.gz MHYQTWVNZXCHOH-AWEZNQCLSA-N 2 2 275.352 0.349 20 0 CCADLP [NH3+]CC[N@H+](Cc1cccc2cccnc21)C[C@H](O)CO ZINC000662288021 414707255 /nfs/dbraw/zinc/70/72/55/414707255.db2.gz MHYQTWVNZXCHOH-AWEZNQCLSA-N 2 2 275.352 0.349 20 0 CCADLP CCn1nccc1CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662152684 414693627 /nfs/dbraw/zinc/69/36/27/414693627.db2.gz XGQVGQQENXXRLJ-MRXNPFEDSA-N 2 2 292.427 0.977 20 0 CCADLP CCn1nccc1CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662152684 414693628 /nfs/dbraw/zinc/69/36/28/414693628.db2.gz XGQVGQQENXXRLJ-MRXNPFEDSA-N 2 2 292.427 0.977 20 0 CCADLP O[C@@H]1CC[N@@H+](C2CC[NH+](CCn3cccn3)CC2)C1 ZINC000662150390 414693962 /nfs/dbraw/zinc/69/39/62/414693962.db2.gz VMFIGHWYKBWXMO-CQSZACIVSA-N 2 2 264.373 0.414 20 0 CCADLP O[C@@H]1CC[N@H+](C2CC[NH+](CCn3cccn3)CC2)C1 ZINC000662150390 414693963 /nfs/dbraw/zinc/69/39/63/414693963.db2.gz VMFIGHWYKBWXMO-CQSZACIVSA-N 2 2 264.373 0.414 20 0 CCADLP O[C@@H]1CC[N@@H+](C2CC[NH+](CCOC[C@@H]3CCCO3)CC2)C1 ZINC000662158367 414694568 /nfs/dbraw/zinc/69/45/68/414694568.db2.gz SFLFDNWCDZLSOI-CVEARBPZSA-N 2 2 298.427 0.713 20 0 CCADLP O[C@@H]1CC[N@H+](C2CC[NH+](CCOC[C@@H]3CCCO3)CC2)C1 ZINC000662158367 414694569 /nfs/dbraw/zinc/69/45/69/414694569.db2.gz SFLFDNWCDZLSOI-CVEARBPZSA-N 2 2 298.427 0.713 20 0 CCADLP CCc1nocc1C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000662244339 414698770 /nfs/dbraw/zinc/69/87/70/414698770.db2.gz PMBWVRFLQRSMLQ-UHFFFAOYSA-N 2 2 266.345 0.101 20 0 CCADLP CCc1nocc1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000662244339 414698771 /nfs/dbraw/zinc/69/87/71/414698771.db2.gz PMBWVRFLQRSMLQ-UHFFFAOYSA-N 2 2 266.345 0.101 20 0 CCADLP CCN1CCN(C2CC[NH+](C[C@@H]3C[NH2+]CCO3)CC2)C1=O ZINC000662256199 414700504 /nfs/dbraw/zinc/70/05/04/414700504.db2.gz UFAGRRBZQMRGIU-AWEZNQCLSA-N 2 2 296.415 0.197 20 0 CCADLP Cn1cc[nH+]c1[C@H]1N(C(=O)C[C@H]2C[NH2+]CCO2)CC1(C)C ZINC000662756563 414767050 /nfs/dbraw/zinc/76/70/50/414767050.db2.gz IYFWWUVCJXFFLE-WCQYABFASA-N 2 2 292.383 0.708 20 0 CCADLP [NH3+][C@H](C(=O)N1CC[NH+](CCO)CC1)c1ccc(F)cc1F ZINC000662780759 414786584 /nfs/dbraw/zinc/78/65/84/414786584.db2.gz ROVFMFSHMFROFB-ZDUSSCGKSA-N 2 2 299.321 0.101 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000662367818 414711835 /nfs/dbraw/zinc/71/18/35/414711835.db2.gz GUXAZVJPXRLORG-QWHCGFSZSA-N 2 2 271.405 0.457 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000662427635 414717337 /nfs/dbraw/zinc/71/73/37/414717337.db2.gz SYPTYCDFIBFBMH-OAHLLOKOSA-N 3 2 296.459 0.659 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCCc2cccnc2)[C@H](C[NH3+])C1 ZINC000662428620 414717407 /nfs/dbraw/zinc/71/74/07/414717407.db2.gz KTYGCCFSHMGOBZ-CQSZACIVSA-N 2 2 276.384 0.506 20 0 CCADLP C[N@H+]1CCN(C(=O)CCCc2cccnc2)[C@H](C[NH3+])C1 ZINC000662428620 414717408 /nfs/dbraw/zinc/71/74/08/414717408.db2.gz KTYGCCFSHMGOBZ-CQSZACIVSA-N 2 2 276.384 0.506 20 0 CCADLP CC(C)[NH2+]CC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000662434174 414718102 /nfs/dbraw/zinc/71/81/02/414718102.db2.gz KCSKTLZBLILEDR-UHFFFAOYSA-N 2 2 257.378 0.211 20 0 CCADLP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000662463705 414720595 /nfs/dbraw/zinc/72/05/95/414720595.db2.gz FRMGTOFBOZVVPF-GJZGRUSLSA-N 2 2 298.475 0.750 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000662479540 414722053 /nfs/dbraw/zinc/72/20/53/414722053.db2.gz QCQAJZWLIHOCLF-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)c1cn[nH]c1[C@@H]1CC[NH2+]C1 ZINC000662529024 414725391 /nfs/dbraw/zinc/72/53/91/414725391.db2.gz LZOKWVWQGZHNJZ-SNVBAGLBSA-N 2 2 271.324 0.864 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000662526362 414725602 /nfs/dbraw/zinc/72/56/02/414725602.db2.gz DOGXXLOJFQGNDO-AWEZNQCLSA-N 2 2 294.399 0.934 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)CC1([NH3+])CCC1 ZINC000662629021 414734461 /nfs/dbraw/zinc/73/44/61/414734461.db2.gz ACZYNNOXGJTHRT-NEPJUHHUSA-N 2 2 269.389 0.483 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)CC1([NH3+])CCC1 ZINC000662629021 414734462 /nfs/dbraw/zinc/73/44/62/414734462.db2.gz ACZYNNOXGJTHRT-NEPJUHHUSA-N 2 2 269.389 0.483 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)C2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000662632027 414734887 /nfs/dbraw/zinc/73/48/87/414734887.db2.gz WQINIAYFIJNRSM-RYUDHWBXSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)C2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000662632027 414734888 /nfs/dbraw/zinc/73/48/88/414734888.db2.gz WQINIAYFIJNRSM-RYUDHWBXSA-N 2 2 269.389 0.211 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)[C@H](C)[NH3+] ZINC000662632982 414735201 /nfs/dbraw/zinc/73/52/01/414735201.db2.gz WTEHKRFPXPCKRX-KBPBESRZSA-N 3 2 286.464 0.606 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)[C@H](C)[NH3+] ZINC000662632982 414735202 /nfs/dbraw/zinc/73/52/02/414735202.db2.gz WTEHKRFPXPCKRX-KBPBESRZSA-N 3 2 286.464 0.606 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)[C@@H](C)[NH3+] ZINC000662632984 414735241 /nfs/dbraw/zinc/73/52/41/414735241.db2.gz WTEHKRFPXPCKRX-KGLIPLIRSA-N 3 2 286.464 0.606 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)[C@@H](C)[NH3+] ZINC000662632984 414735242 /nfs/dbraw/zinc/73/52/42/414735242.db2.gz WTEHKRFPXPCKRX-KGLIPLIRSA-N 3 2 286.464 0.606 20 0 CCADLP CC(C)C[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662655477 414737498 /nfs/dbraw/zinc/73/74/98/414737498.db2.gz IHUTULSMABTXQU-QWHCGFSZSA-N 2 2 269.389 0.293 20 0 CCADLP [NH3+]CC12CC(C1)CN2C(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000662682628 414740775 /nfs/dbraw/zinc/74/07/75/414740775.db2.gz MTEHURUAOGSRIY-YEMQSEFVSA-N 2 2 281.306 0.914 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662703008 414743948 /nfs/dbraw/zinc/74/39/48/414743948.db2.gz GIJDMQVXQLOIBH-STQMWFEESA-N 2 2 283.416 0.541 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662798602 414802101 /nfs/dbraw/zinc/80/21/01/414802101.db2.gz DWZFEYIJQXQETD-VXGBXAGGSA-N 2 2 266.345 0.095 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1[NH2+]CCC1(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662833543 414824699 /nfs/dbraw/zinc/82/46/99/414824699.db2.gz PGSZWOZHTIIKHL-FQUUOJAGSA-N 2 2 297.443 0.988 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1[NH2+]CCC1(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662833543 414824701 /nfs/dbraw/zinc/82/47/01/414824701.db2.gz PGSZWOZHTIIKHL-FQUUOJAGSA-N 2 2 297.443 0.988 20 0 CCADLP CC[C@]1(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)CCC[NH2+]1 ZINC000662857994 414849739 /nfs/dbraw/zinc/84/97/39/414849739.db2.gz DGMDHAWJGPNJMF-UMVBOHGHSA-N 2 2 283.416 0.744 20 0 CCADLP CC[C@]1(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)CCC[NH2+]1 ZINC000662857994 414849744 /nfs/dbraw/zinc/84/97/44/414849744.db2.gz DGMDHAWJGPNJMF-UMVBOHGHSA-N 2 2 283.416 0.744 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)CCOC1C[NH2+]C1 ZINC000662898778 414877469 /nfs/dbraw/zinc/87/74/69/414877469.db2.gz AWNPEKFYMOIJPN-JTQLQIEISA-N 2 2 266.345 0.459 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000662900036 414878990 /nfs/dbraw/zinc/87/89/90/414878990.db2.gz KXOBZHWBXUYCTG-UWVGGRQHSA-N 2 2 252.318 0.069 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H]1CSC[NH2+]1 ZINC000662899241 414880407 /nfs/dbraw/zinc/88/04/07/414880407.db2.gz DUKGQPPCYWSJMW-IUCAKERBSA-N 2 2 254.359 0.743 20 0 CCADLP C[C@@H]([NH3+])CCC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900689 414880979 /nfs/dbraw/zinc/88/09/79/414880979.db2.gz ODLSOZKBVHMFDA-HIFRSBDPSA-N 3 2 296.459 0.741 20 0 CCADLP C[C@@H]([NH3+])CCC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900689 414880983 /nfs/dbraw/zinc/88/09/83/414880983.db2.gz ODLSOZKBVHMFDA-HIFRSBDPSA-N 3 2 296.459 0.741 20 0 CCADLP CC(C)(C)[C@H]([NH3+])C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662909727 414885317 /nfs/dbraw/zinc/88/53/17/414885317.db2.gz HOLWMVAJIAXCPJ-CQSZACIVSA-N 2 2 297.443 0.931 20 0 CCADLP O=C(NCC12CC(C1)C[NH2+]2)[C@@H]1CCc2[nH+]ccn2C1 ZINC000662924170 414896924 /nfs/dbraw/zinc/89/69/24/414896924.db2.gz YSWDTOWMSQKWHV-IQLKVPPVSA-N 2 2 260.341 0.314 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000662932447 414900085 /nfs/dbraw/zinc/90/00/85/414900085.db2.gz BHDCAXWHVXPJON-AXFHLTTASA-N 2 2 250.346 0.985 20 0 CCADLP C[C@@]1(NC(=O)c2ccc(-n3cc[nH+]c3)nn2)CC[NH2+]C1 ZINC000663011355 414949530 /nfs/dbraw/zinc/94/95/30/414949530.db2.gz PXLJIMWOJAGDSS-CYBMUJFWSA-N 2 2 272.312 0.144 20 0 CCADLP CC[NH+]1CCN(CCNc2cc(CO)cc(C)[nH+]2)CC1 ZINC000663399136 415057944 /nfs/dbraw/zinc/05/79/44/415057944.db2.gz RWBWBUNCYWUHHN-UHFFFAOYSA-N 2 2 278.400 0.932 20 0 CCADLP c1nc(N[C@H]2CC[N@@H+](C3CC3)C2)c2c([nH+]1)NCCO2 ZINC000663425453 415062435 /nfs/dbraw/zinc/06/24/35/415062435.db2.gz QCNLDSITASOUKE-VIFPVBQESA-N 2 2 261.329 0.930 20 0 CCADLP c1nc(N[C@H]2CC[N@H+](C3CC3)C2)c2c([nH+]1)NCCO2 ZINC000663425453 415062439 /nfs/dbraw/zinc/06/24/39/415062439.db2.gz QCNLDSITASOUKE-VIFPVBQESA-N 2 2 261.329 0.930 20 0 CCADLP Cc1cc(CO)cc(NC[C@@H](C)N2CC[NH+](C)CC2)[nH+]1 ZINC000663530698 415083496 /nfs/dbraw/zinc/08/34/96/415083496.db2.gz ZNLCHQZHEKSWIH-CYBMUJFWSA-N 2 2 278.400 0.930 20 0 CCADLP [NH3+]Cc1cc(=O)[nH]c(CNc2cc(NC3CC3)[nH+]cn2)n1 ZINC000663277755 415034087 /nfs/dbraw/zinc/03/40/87/415034087.db2.gz XQNHIRXYCZSPQQ-UHFFFAOYSA-N 2 2 287.327 0.617 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1nccs1 ZINC000663731395 415120403 /nfs/dbraw/zinc/12/04/03/415120403.db2.gz KUSUCOSFSSOAIY-UHFFFAOYSA-N 2 2 299.444 0.826 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1nccs1 ZINC000663731395 415120406 /nfs/dbraw/zinc/12/04/06/415120406.db2.gz KUSUCOSFSSOAIY-UHFFFAOYSA-N 2 2 299.444 0.826 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CC1(C)C ZINC000663773712 415128653 /nfs/dbraw/zinc/12/86/53/415128653.db2.gz PELMXUONQGWRCO-GFCCVEGCSA-N 2 2 270.421 0.968 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CC1(C)C ZINC000663773712 415128660 /nfs/dbraw/zinc/12/86/60/415128660.db2.gz PELMXUONQGWRCO-GFCCVEGCSA-N 2 2 270.421 0.968 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCc1[nH+]ccn1C ZINC000663973586 415187448 /nfs/dbraw/zinc/18/74/48/415187448.db2.gz BWEXOGMFRDHOLT-NEPJUHHUSA-N 2 2 295.387 0.329 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCc1[nH+]ccn1C ZINC000663973586 415187458 /nfs/dbraw/zinc/18/74/58/415187458.db2.gz BWEXOGMFRDHOLT-NEPJUHHUSA-N 2 2 295.387 0.329 20 0 CCADLP Cc1nc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)no1 ZINC000664216318 415283564 /nfs/dbraw/zinc/28/35/64/415283564.db2.gz HAYAVDYPZNXYDF-UHFFFAOYSA-N 2 2 298.391 0.061 20 0 CCADLP Cc1nc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)no1 ZINC000664216318 415283573 /nfs/dbraw/zinc/28/35/73/415283573.db2.gz HAYAVDYPZNXYDF-UHFFFAOYSA-N 2 2 298.391 0.061 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CCSC1 ZINC000664239238 415291829 /nfs/dbraw/zinc/29/18/29/415291829.db2.gz BMSWRFMYTUYKQQ-GFCCVEGCSA-N 2 2 288.461 0.675 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CCSC1 ZINC000664239238 415291837 /nfs/dbraw/zinc/29/18/37/415291837.db2.gz BMSWRFMYTUYKQQ-GFCCVEGCSA-N 2 2 288.461 0.675 20 0 CCADLP CN(CC1C[NH+](C)C1)c1cc[nH+]c(N2CCOCC2)n1 ZINC000664330497 415344951 /nfs/dbraw/zinc/34/49/51/415344951.db2.gz LZSNVFJOCDNDLJ-UHFFFAOYSA-N 2 2 277.372 0.311 20 0 CCADLP Cc1nc(N(C)CC2C[NH+](C)C2)nc(N(C)C)[nH+]1 ZINC000664332492 415347244 /nfs/dbraw/zinc/34/72/44/415347244.db2.gz WHSKZGRBLSLCRK-UHFFFAOYSA-N 2 2 250.350 0.244 20 0 CCADLP CCc1nc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)no1 ZINC000664331089 415348488 /nfs/dbraw/zinc/34/84/88/415348488.db2.gz OSQGIVWSZYQVNG-UHFFFAOYSA-N 2 2 283.376 0.245 20 0 CCADLP CCc1nc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)no1 ZINC000664331089 415348490 /nfs/dbraw/zinc/34/84/90/415348490.db2.gz OSQGIVWSZYQVNG-UHFFFAOYSA-N 2 2 283.376 0.245 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c2[nH+]ccn21 ZINC000665049011 415519977 /nfs/dbraw/zinc/51/99/77/415519977.db2.gz ZLVJDFPNUHAPMJ-WYUUTHIRSA-N 2 2 293.371 0.205 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000665070846 415527468 /nfs/dbraw/zinc/52/74/68/415527468.db2.gz NBSPMLJNYCDKMY-VXGBXAGGSA-N 2 2 262.357 0.688 20 0 CCADLP CO[C@H](C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)[C@H]1CCOC1 ZINC000665234357 415573337 /nfs/dbraw/zinc/57/33/37/415573337.db2.gz BRUQCVFUNKQRGE-LJISPDSOSA-N 2 2 284.400 0.395 20 0 CCADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1nc(C(N)=O)cs1 ZINC000665272467 415584387 /nfs/dbraw/zinc/58/43/87/415584387.db2.gz FWUIBFMPSLFQJU-BDAKNGLRSA-N 2 2 268.386 0.720 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000665275855 415585677 /nfs/dbraw/zinc/58/56/77/415585677.db2.gz UHMHYOGYZCLTHT-FVQBIDKESA-N 3 2 297.443 0.596 20 0 CCADLP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000665287029 415586560 /nfs/dbraw/zinc/58/65/60/415586560.db2.gz ABNKWZHVPRODCI-ZFWWWQNUSA-N 3 2 296.459 0.517 20 0 CCADLP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000665287029 415586566 /nfs/dbraw/zinc/58/65/66/415586566.db2.gz ABNKWZHVPRODCI-ZFWWWQNUSA-N 3 2 296.459 0.517 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)[C@H](C)C1 ZINC000665290524 415587983 /nfs/dbraw/zinc/58/79/83/415587983.db2.gz BZTGONRXOHQCHH-ZYHUDNBSSA-N 3 2 279.388 0.461 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)[C@H](C)C1 ZINC000665290524 415587991 /nfs/dbraw/zinc/58/79/91/415587991.db2.gz BZTGONRXOHQCHH-ZYHUDNBSSA-N 3 2 279.388 0.461 20 0 CCADLP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292128 415590582 /nfs/dbraw/zinc/59/05/82/415590582.db2.gz UANJHXPXACAZFQ-BXKDBHETSA-N 2 2 277.372 0.213 20 0 CCADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000665298184 415591743 /nfs/dbraw/zinc/59/17/43/415591743.db2.gz TXRIDLNHLOJZGK-HZMBPMFUSA-N 2 2 297.424 0.909 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000071276156 176106968 /nfs/dbraw/zinc/10/69/68/176106968.db2.gz ZDABGOLJTKMWSY-CQSZACIVSA-N 2 2 258.325 0.910 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC1CC[NH+](C)CC1 ZINC000071913158 176298201 /nfs/dbraw/zinc/29/82/01/176298201.db2.gz NAFDFQLUGZQNLE-NSHDSACASA-N 2 2 265.361 0.665 20 0 CCADLP CCn1c[nH+]cc1CN1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000418104432 228051469 /nfs/dbraw/zinc/05/14/69/228051469.db2.gz ADBWTKGHGZPKJE-QWHCGFSZSA-N 2 2 266.389 0.790 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1)[NH+](C)C ZINC000086247239 544497818 /nfs/dbraw/zinc/49/78/18/544497818.db2.gz USWGULPXZOOVIS-ZDUSSCGKSA-N 2 2 291.395 0.987 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111243497 544560839 /nfs/dbraw/zinc/56/08/39/544560839.db2.gz GBEAODGOAKTZQO-NSHDSACASA-N 2 2 290.289 0.931 20 0 CCADLP Cc1nc(N2CCOC3(CC[NH+](C)CC3)C2)nc(N)[nH+]1 ZINC000631330024 419483058 /nfs/dbraw/zinc/48/30/58/419483058.db2.gz QSIRNTFWLCUGAD-UHFFFAOYSA-N 2 2 278.360 0.063 20 0 CCADLP Cc1nc(N)nc(N2CCOC3(CC[NH+](C)CC3)C2)[nH+]1 ZINC000631330024 419483070 /nfs/dbraw/zinc/48/30/70/419483070.db2.gz QSIRNTFWLCUGAD-UHFFFAOYSA-N 2 2 278.360 0.063 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000119521857 544568482 /nfs/dbraw/zinc/56/84/82/544568482.db2.gz CCVZGJBDNIOBMW-AGIUHOORSA-N 2 2 295.387 0.290 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000119521857 544568485 /nfs/dbraw/zinc/56/84/85/544568485.db2.gz CCVZGJBDNIOBMW-AGIUHOORSA-N 2 2 295.387 0.290 20 0 CCADLP CN1CC[C@@H]([NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000125263288 544591025 /nfs/dbraw/zinc/59/10/25/544591025.db2.gz CRFOBELXQYORAL-CYBMUJFWSA-N 2 2 260.341 0.434 20 0 CCADLP CC[NH+]1CCN(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000152497783 544660200 /nfs/dbraw/zinc/66/02/00/544660200.db2.gz GHYDEUPQSTVIIF-QWHCGFSZSA-N 2 2 284.404 0.053 20 0 CCADLP CC[NH+]1CCN(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000152497783 544660205 /nfs/dbraw/zinc/66/02/05/544660205.db2.gz GHYDEUPQSTVIIF-QWHCGFSZSA-N 2 2 284.404 0.053 20 0 CCADLP [NH3+][C@H](C(=O)NCC[NH+]1CCOCC1)c1cccc(Cl)c1 ZINC000163420158 544716330 /nfs/dbraw/zinc/71/63/30/544716330.db2.gz GFSVRMQKQYGXKR-ZDUSSCGKSA-N 2 2 297.786 0.788 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000193372730 544804594 /nfs/dbraw/zinc/80/45/94/544804594.db2.gz JQZCUCKVXSCTST-CQSZACIVSA-N 2 2 294.399 0.815 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000193372730 544804599 /nfs/dbraw/zinc/80/45/99/544804599.db2.gz JQZCUCKVXSCTST-CQSZACIVSA-N 2 2 294.399 0.815 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000193372730 544804604 /nfs/dbraw/zinc/80/46/04/544804604.db2.gz JQZCUCKVXSCTST-CQSZACIVSA-N 2 2 294.399 0.815 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000193372730 544804609 /nfs/dbraw/zinc/80/46/09/544804609.db2.gz JQZCUCKVXSCTST-CQSZACIVSA-N 2 2 294.399 0.815 20 0 CCADLP COc1cccc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])c1F ZINC000228601604 544845243 /nfs/dbraw/zinc/84/52/43/544845243.db2.gz JDJSCHVMUXAFLV-LBPRGKRZSA-N 2 2 267.348 0.909 20 0 CCADLP COc1cccc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])c1F ZINC000228601604 544845246 /nfs/dbraw/zinc/84/52/46/544845246.db2.gz JDJSCHVMUXAFLV-LBPRGKRZSA-N 2 2 267.348 0.909 20 0 CCADLP COCC[N@@H+]1CC[C@H](Nc2nc(C)[nH+]c(N(C)C)n2)C1 ZINC000488378581 420306896 /nfs/dbraw/zinc/30/68/96/420306896.db2.gz KGUBTBDTEAUFFQ-NSHDSACASA-N 2 2 280.376 0.379 20 0 CCADLP COCC[N@H+]1CC[C@H](Nc2nc(C)[nH+]c(N(C)C)n2)C1 ZINC000488378581 420306900 /nfs/dbraw/zinc/30/69/00/420306900.db2.gz KGUBTBDTEAUFFQ-NSHDSACASA-N 2 2 280.376 0.379 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2ccco2)CC1 ZINC000268931567 544947579 /nfs/dbraw/zinc/94/75/79/544947579.db2.gz STYYLBRYXNUAMO-UHFFFAOYSA-N 2 2 279.384 0.964 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[NH+](CC2CC2)CC1 ZINC000276508395 544953379 /nfs/dbraw/zinc/95/33/79/544953379.db2.gz XKYPLFFOVBFQKT-UHFFFAOYSA-N 2 2 262.357 0.897 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[NH+](CC2CC2)CC1 ZINC000276508395 544953381 /nfs/dbraw/zinc/95/33/81/544953381.db2.gz XKYPLFFOVBFQKT-UHFFFAOYSA-N 2 2 262.357 0.897 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000251635605 544927159 /nfs/dbraw/zinc/92/71/59/544927159.db2.gz RONCFKOHCRIETN-YNEHKIRRSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000251635605 544927166 /nfs/dbraw/zinc/92/71/66/544927166.db2.gz RONCFKOHCRIETN-YNEHKIRRSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000333817973 545043311 /nfs/dbraw/zinc/04/33/11/545043311.db2.gz QRSKCUINTSNZST-STQMWFEESA-N 2 2 298.431 0.537 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000333817973 545043313 /nfs/dbraw/zinc/04/33/13/545043313.db2.gz QRSKCUINTSNZST-STQMWFEESA-N 2 2 298.431 0.537 20 0 CCADLP COCC(C)(C)C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000311044587 545012463 /nfs/dbraw/zinc/01/24/63/545012463.db2.gz GXYOTPFQDCSIIF-UHFFFAOYSA-N 2 2 257.378 0.023 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)CN(C)Cc2[nH+]ccn2C)C[C@@H](C)O1 ZINC000348324803 545063793 /nfs/dbraw/zinc/06/37/93/545063793.db2.gz ZPYNNUWWJSYUGT-MCIONIFRSA-N 2 2 296.415 0.322 20 0 CCADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCOC1 ZINC000337211407 545051553 /nfs/dbraw/zinc/05/15/53/545051553.db2.gz AMXCRPVCPZFJHU-QKGCVVFFSA-N 2 2 286.416 0.471 20 0 CCADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCOC1 ZINC000337211407 545051554 /nfs/dbraw/zinc/05/15/54/545051554.db2.gz AMXCRPVCPZFJHU-QKGCVVFFSA-N 2 2 286.416 0.471 20 0 CCADLP O=C(NCCN1CC[NH2+]CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000238089492 269758018 /nfs/dbraw/zinc/75/80/18/269758018.db2.gz LFJXKGMZUXMLJP-UHFFFAOYSA-N 2 2 299.378 0.507 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NCCC[NH+]1CCCC1 ZINC000357068548 545078440 /nfs/dbraw/zinc/07/84/40/545078440.db2.gz QMVWJRVPCOXWFL-UHFFFAOYSA-N 2 2 265.361 0.705 20 0 CCADLP CC(=O)N1CCC(C[NH2+]Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000331239876 264176307 /nfs/dbraw/zinc/17/63/07/264176307.db2.gz KNRBPAYYZWTJGX-UHFFFAOYSA-N 2 2 293.415 0.834 20 0 CCADLP COCCOC[C@H](O)C[NH2+]CCc1cc[nH+]cc1C ZINC000518965710 265252996 /nfs/dbraw/zinc/25/29/96/265252996.db2.gz UIZBJUWGMVHOLQ-CQSZACIVSA-N 2 2 268.357 0.546 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NCCCCn1cc[nH+]c1 ZINC000519022884 265297943 /nfs/dbraw/zinc/29/79/43/265297943.db2.gz WQWVGZOKFKQRQU-UHFFFAOYSA-N 2 2 276.344 0.896 20 0 CCADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000341616797 276090084 /nfs/dbraw/zinc/09/00/84/276090084.db2.gz QZAZPZXIQDSMPC-KGLIPLIRSA-N 2 2 284.448 0.469 20 0 CCADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000341616797 276090085 /nfs/dbraw/zinc/09/00/85/276090085.db2.gz QZAZPZXIQDSMPC-KGLIPLIRSA-N 2 2 284.448 0.469 20 0 CCADLP C[NH+](C)CCNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000171991752 335087637 /nfs/dbraw/zinc/08/76/37/335087637.db2.gz ZGSUTEBRAHUIHI-UHFFFAOYSA-N 2 2 263.332 0.641 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000173781544 276332170 /nfs/dbraw/zinc/33/21/70/276332170.db2.gz OCKAJMGLSVWGNV-LBPRGKRZSA-N 2 2 282.388 0.202 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000173781544 276332172 /nfs/dbraw/zinc/33/21/72/276332172.db2.gz OCKAJMGLSVWGNV-LBPRGKRZSA-N 2 2 282.388 0.202 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000330448622 276804334 /nfs/dbraw/zinc/80/43/34/276804334.db2.gz IPVPOOGZPZVBHL-ZDUSSCGKSA-N 2 2 280.372 0.142 20 0 CCADLP CN(C)c1nc(N[C@@H]2CCn3cc[nH+]c3C2)cc[nH+]1 ZINC000489894383 276901606 /nfs/dbraw/zinc/90/16/06/276901606.db2.gz YSXYUAGOCRJNRQ-SNVBAGLBSA-N 2 2 258.329 0.588 20 0 CCADLP C[N@H+]([C@H]1COC[C@H]1O)C1CC[NH+](CCn2cccn2)CC1 ZINC000516944113 277002408 /nfs/dbraw/zinc/00/24/08/277002408.db2.gz CQNZOSHZJUVKOL-LSDHHAIUSA-N 2 2 294.399 0.039 20 0 CCADLP C[N@@H+]([C@H]1COC[C@H]1O)C1CC[NH+](CCn2cccn2)CC1 ZINC000516944113 277002409 /nfs/dbraw/zinc/00/24/09/277002409.db2.gz CQNZOSHZJUVKOL-LSDHHAIUSA-N 2 2 294.399 0.039 20 0 CCADLP CNC(=O)NC(=O)CC[N@H+](CC[NH3+])CCc1ccccc1 ZINC000261774543 277003198 /nfs/dbraw/zinc/00/31/98/277003198.db2.gz OKRFZXQEZDCOMF-UHFFFAOYSA-N 2 2 292.383 0.336 20 0 CCADLP CNC(=O)NC(=O)CC[N@@H+](CC[NH3+])CCc1ccccc1 ZINC000261774543 277003199 /nfs/dbraw/zinc/00/31/99/277003199.db2.gz OKRFZXQEZDCOMF-UHFFFAOYSA-N 2 2 292.383 0.336 20 0 CCADLP C[NH2+]CC[N@H+](C)CCCN1C(=O)c2ccccc2C1=O ZINC000127897756 277023973 /nfs/dbraw/zinc/02/39/73/277023973.db2.gz QUAWPCBKBFBHBD-UHFFFAOYSA-N 2 2 275.352 0.824 20 0 CCADLP C[NH2+]CC[N@@H+](C)CCCN1C(=O)c2ccccc2C1=O ZINC000127897756 277023974 /nfs/dbraw/zinc/02/39/74/277023974.db2.gz QUAWPCBKBFBHBD-UHFFFAOYSA-N 2 2 275.352 0.824 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCSC[C@H]2C2CCC2)CC1 ZINC000335195372 277090337 /nfs/dbraw/zinc/09/03/37/277090337.db2.gz MSZSIEJHRSRNNS-AWEZNQCLSA-N 2 2 297.468 0.978 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCSC[C@H]2C2CCC2)CC1 ZINC000335195372 277090339 /nfs/dbraw/zinc/09/03/39/277090339.db2.gz MSZSIEJHRSRNNS-AWEZNQCLSA-N 2 2 297.468 0.978 20 0 CCADLP COCCN1CCC[C@@H]1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422710413 277222154 /nfs/dbraw/zinc/22/21/54/277222154.db2.gz LFNMCFIGYAEEMW-OWCLPIDISA-N 2 2 297.443 0.454 20 0 CCADLP COCC[N@@H+]1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261894375 277227275 /nfs/dbraw/zinc/22/72/75/277227275.db2.gz GYOIJBBFIAEZAU-ZJIFWQFVSA-N 2 2 297.443 0.454 20 0 CCADLP COCC[N@H+]1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261894375 277227276 /nfs/dbraw/zinc/22/72/76/277227276.db2.gz GYOIJBBFIAEZAU-ZJIFWQFVSA-N 2 2 297.443 0.454 20 0 CCADLP COC[C@](C)(O)CC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000449384728 277268546 /nfs/dbraw/zinc/26/85/46/277268546.db2.gz OEQGGNCNMIUIPR-MRVWCRGKSA-N 2 2 256.390 0.846 20 0 CCADLP COC[C@](C)(O)CC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000449384728 277268547 /nfs/dbraw/zinc/26/85/47/277268547.db2.gz OEQGGNCNMIUIPR-MRVWCRGKSA-N 2 2 256.390 0.846 20 0 CCADLP CC(C)(C[NH3+])C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000430876592 277297963 /nfs/dbraw/zinc/29/79/63/277297963.db2.gz RNRYFPHZOPAFRW-UHFFFAOYSA-N 2 2 257.378 0.198 20 0 CCADLP CC(C)(C[NH3+])C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000430876592 277297964 /nfs/dbraw/zinc/29/79/64/277297964.db2.gz RNRYFPHZOPAFRW-UHFFFAOYSA-N 2 2 257.378 0.198 20 0 CCADLP CO[C@H](C)C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000374715057 277324139 /nfs/dbraw/zinc/32/41/39/277324139.db2.gz NBWCMGCPJIGQHH-YPMHNXCESA-N 2 2 269.389 0.435 20 0 CCADLP CO[C@H](C)C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000374715057 277324141 /nfs/dbraw/zinc/32/41/41/277324141.db2.gz NBWCMGCPJIGQHH-YPMHNXCESA-N 2 2 269.389 0.435 20 0 CCADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1CC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000343582276 278091370 /nfs/dbraw/zinc/09/13/70/278091370.db2.gz KOCVPZYGOAYBJR-LJISPDSOSA-N 2 2 267.417 0.874 20 0 CCADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1CC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000343582276 278091371 /nfs/dbraw/zinc/09/13/71/278091371.db2.gz KOCVPZYGOAYBJR-LJISPDSOSA-N 2 2 267.417 0.874 20 0 CCADLP C[C@@H]1[C@H](C)[NH+](C)CCN1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000343582276 278091373 /nfs/dbraw/zinc/09/13/73/278091373.db2.gz KOCVPZYGOAYBJR-LJISPDSOSA-N 2 2 267.417 0.874 20 0 CCADLP C[C@@H]1[C@H](C)[NH+](C)CCN1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000343582276 278091374 /nfs/dbraw/zinc/09/13/74/278091374.db2.gz KOCVPZYGOAYBJR-LJISPDSOSA-N 2 2 267.417 0.874 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCC[NH2+]C1)Cn1cc[nH+]c1 ZINC000165580711 278205117 /nfs/dbraw/zinc/20/51/17/278205117.db2.gz YVAFPUPNMYEENW-VXGBXAGGSA-N 2 2 250.346 0.635 20 0 CCADLP C[C@H](C[C@H](C)O)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000341290309 278217950 /nfs/dbraw/zinc/21/79/50/278217950.db2.gz GKKDSBBCMHCFTD-CABCVRRESA-N 2 2 299.459 0.532 20 0 CCADLP C[C@H](C[C@H](C)O)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000341290309 278217951 /nfs/dbraw/zinc/21/79/51/278217951.db2.gz GKKDSBBCMHCFTD-CABCVRRESA-N 2 2 299.459 0.532 20 0 CCADLP C[C@@H](CC[S@](C)=O)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000127969618 278235696 /nfs/dbraw/zinc/23/56/96/278235696.db2.gz OZLBNMHUGLZAJL-XTZNXHDOSA-N 2 2 272.418 0.733 20 0 CCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000333828796 278259838 /nfs/dbraw/zinc/25/98/38/278259838.db2.gz MDUYXOQQPMGWEE-LLVKDONJSA-N 2 2 297.403 0.379 20 0 CCADLP C[C@@H](CNC(=O)[C@H]([NH3+])C1CCOCC1)Cn1cc[nH+]c1 ZINC000337819770 278280636 /nfs/dbraw/zinc/28/06/36/278280636.db2.gz OKNGOPXIDOMVST-WCQYABFASA-N 2 2 280.372 0.389 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]2CCC[NH+]2C2CC2)CCO1 ZINC000425934050 278332519 /nfs/dbraw/zinc/33/25/19/278332519.db2.gz YVHLFKJDYFEQKD-AWEZNQCLSA-N 2 2 295.427 0.840 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]2CCC[NH+]2C2CC2)CCO1 ZINC000425934050 278332520 /nfs/dbraw/zinc/33/25/20/278332520.db2.gz YVHLFKJDYFEQKD-AWEZNQCLSA-N 2 2 295.427 0.840 20 0 CCADLP CC1(C)C[NH+](CCNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)CCO1 ZINC000425934050 278332521 /nfs/dbraw/zinc/33/25/21/278332521.db2.gz YVHLFKJDYFEQKD-AWEZNQCLSA-N 2 2 295.427 0.840 20 0 CCADLP CC1(C)C[NH+](CCNC(=O)[C@@H]2CCC[N@H+]2C2CC2)CCO1 ZINC000425934050 278332522 /nfs/dbraw/zinc/33/25/22/278332522.db2.gz YVHLFKJDYFEQKD-AWEZNQCLSA-N 2 2 295.427 0.840 20 0 CCADLP CC(C)(C)NC(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334980274 278358252 /nfs/dbraw/zinc/35/82/52/278358252.db2.gz LUKTXGUNPCWEHZ-CQSZACIVSA-N 2 2 253.390 0.977 20 0 CCADLP CC(C)(C)NC(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334980274 278358253 /nfs/dbraw/zinc/35/82/53/278358253.db2.gz LUKTXGUNPCWEHZ-CQSZACIVSA-N 2 2 253.390 0.977 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000331636579 278363635 /nfs/dbraw/zinc/36/36/35/278363635.db2.gz MFJXQNACNXTPKG-HNNXBMFYSA-N 2 2 296.415 0.686 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000331636579 278363637 /nfs/dbraw/zinc/36/36/37/278363637.db2.gz MFJXQNACNXTPKG-HNNXBMFYSA-N 2 2 296.415 0.686 20 0 CCADLP CC1(C)C[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)CO1 ZINC000417907025 278388433 /nfs/dbraw/zinc/38/84/33/278388433.db2.gz GLFHSIXCLZQXJI-NWDGAFQWSA-N 2 2 269.389 0.483 20 0 CCADLP CC1(C)C[C@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)CO1 ZINC000417907025 278388434 /nfs/dbraw/zinc/38/84/34/278388434.db2.gz GLFHSIXCLZQXJI-NWDGAFQWSA-N 2 2 269.389 0.483 20 0 CCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000336498803 288069713 /nfs/dbraw/zinc/06/97/13/288069713.db2.gz MYHJCTNFEJAICV-NXEZZACHSA-N 2 2 261.316 0.394 20 0 CCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000336498803 288069716 /nfs/dbraw/zinc/06/97/16/288069716.db2.gz MYHJCTNFEJAICV-NXEZZACHSA-N 2 2 261.316 0.394 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCN1CC[NH+](C)C(C)(C)C1 ZINC000441349012 288090973 /nfs/dbraw/zinc/09/09/73/288090973.db2.gz RRDKNMRPGKBGLI-KGLIPLIRSA-N 3 2 268.449 0.552 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCN1CC[NH+](C)C(C)(C)C1 ZINC000441349012 288090975 /nfs/dbraw/zinc/09/09/75/288090975.db2.gz RRDKNMRPGKBGLI-KGLIPLIRSA-N 3 2 268.449 0.552 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000441349012 288090977 /nfs/dbraw/zinc/09/09/77/288090977.db2.gz RRDKNMRPGKBGLI-KGLIPLIRSA-N 3 2 268.449 0.552 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441349012 288090978 /nfs/dbraw/zinc/09/09/78/288090978.db2.gz RRDKNMRPGKBGLI-KGLIPLIRSA-N 3 2 268.449 0.552 20 0 CCADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000426767604 279117238 /nfs/dbraw/zinc/11/72/38/279117238.db2.gz OOQAFNFAMQOIAO-APIJFGDWSA-N 2 2 295.427 0.506 20 0 CCADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000426767604 279117239 /nfs/dbraw/zinc/11/72/39/279117239.db2.gz OOQAFNFAMQOIAO-APIJFGDWSA-N 2 2 295.427 0.506 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N2CCn3c[nH+]cc3C2)CCC[N@@H+]1C ZINC000359189003 279121555 /nfs/dbraw/zinc/12/15/55/279121555.db2.gz FJJVVKVGWNGCNE-DGCLKSJQSA-N 2 2 277.372 0.891 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N2CCn3c[nH+]cc3C2)CCC[N@H+]1C ZINC000359189003 279121556 /nfs/dbraw/zinc/12/15/56/279121556.db2.gz FJJVVKVGWNGCNE-DGCLKSJQSA-N 2 2 277.372 0.891 20 0 CCADLP CCN1CC[NH+](CCCC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422861496 279356094 /nfs/dbraw/zinc/35/60/94/279356094.db2.gz MTRIJHIKCNHHFE-JKSUJKDBSA-N 3 2 282.476 0.992 20 0 CCADLP CC[NH+]1CCN(CCCC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422861496 279356097 /nfs/dbraw/zinc/35/60/97/279356097.db2.gz MTRIJHIKCNHHFE-JKSUJKDBSA-N 3 2 282.476 0.992 20 0 CCADLP C[C@H](CS(C)(=O)=O)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000376150551 279364573 /nfs/dbraw/zinc/36/45/73/279364573.db2.gz LZUIWEPWNQRUEF-LLVKDONJSA-N 2 2 285.413 0.785 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)[C@H]2CC[NH+](C3CC3)C2)CCO1 ZINC000337261161 288167084 /nfs/dbraw/zinc/16/70/84/288167084.db2.gz XRMHPDRCAHXARH-HIFRSBDPSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)[C@H]2CC[NH+](C3CC3)C2)CCO1 ZINC000337261161 288167087 /nfs/dbraw/zinc/16/70/87/288167087.db2.gz XRMHPDRCAHXARH-HIFRSBDPSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1C[NH+](CCN(C)[C@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC000337261161 288167091 /nfs/dbraw/zinc/16/70/91/288167091.db2.gz XRMHPDRCAHXARH-HIFRSBDPSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1C[NH+](CCN(C)[C@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000337261161 288167094 /nfs/dbraw/zinc/16/70/94/288167094.db2.gz XRMHPDRCAHXARH-HIFRSBDPSA-N 2 2 267.417 0.876 20 0 CCADLP O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CC[NH+](C2CC2)CC1 ZINC000336313397 280085087 /nfs/dbraw/zinc/08/50/87/280085087.db2.gz YTUUMEFINFXJPD-AWEZNQCLSA-N 2 2 263.385 0.920 20 0 CCADLP O=C([C@@H]1CCC[N@H+]1C1CC1)N1CC[NH+](C2CC2)CC1 ZINC000336313397 280085088 /nfs/dbraw/zinc/08/50/88/280085088.db2.gz YTUUMEFINFXJPD-AWEZNQCLSA-N 2 2 263.385 0.920 20 0 CCADLP O=C([C@@H]1COCC[NH2+]1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000430680208 280104381 /nfs/dbraw/zinc/10/43/81/280104381.db2.gz XWMRLBGLVWVUML-MNOVXSKESA-N 2 2 264.329 0.104 20 0 CCADLP CC(C)[C@H](C(=O)N[C@H](C)C[NH+]1CCOCC1)[NH+](C)C ZINC000106431956 280182053 /nfs/dbraw/zinc/18/20/53/280182053.db2.gz IBNDUWZTFSIVCB-CHWSQXEVSA-N 2 2 271.405 0.410 20 0 CCADLP C[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000262093910 288207860 /nfs/dbraw/zinc/20/78/60/288207860.db2.gz VABRVZAOVJADCU-BRWVUGGUSA-N 3 2 294.487 0.944 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000262093910 288207863 /nfs/dbraw/zinc/20/78/63/288207863.db2.gz VABRVZAOVJADCU-BRWVUGGUSA-N 3 2 294.487 0.944 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000449344133 288347194 /nfs/dbraw/zinc/34/71/94/288347194.db2.gz BFDNWXBCBIVAEL-MGPQQGTHSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000449344133 288347195 /nfs/dbraw/zinc/34/71/95/288347195.db2.gz BFDNWXBCBIVAEL-MGPQQGTHSA-N 2 2 283.416 0.731 20 0 CCADLP CN(C)[C@@H](C(=O)N(C)[C@H]1CCC[N@H+](C)C1)c1c[nH+]cn1C ZINC000280935750 289270226 /nfs/dbraw/zinc/27/02/26/289270226.db2.gz KURSYBYODKHHOP-GXTWGEPZSA-N 2 2 293.415 0.575 20 0 CCADLP CN(C)[C@@H](C(=O)N(C)[C@H]1CCC[N@@H+](C)C1)c1c[nH+]cn1C ZINC000280935750 289270228 /nfs/dbraw/zinc/27/02/28/289270228.db2.gz KURSYBYODKHHOP-GXTWGEPZSA-N 2 2 293.415 0.575 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357078986 289355423 /nfs/dbraw/zinc/35/54/23/289355423.db2.gz CESHBPAOKQHBOL-SYQHCUMBSA-N 2 2 281.400 0.211 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357078986 289355424 /nfs/dbraw/zinc/35/54/24/289355424.db2.gz CESHBPAOKQHBOL-SYQHCUMBSA-N 2 2 281.400 0.211 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[C@@H](C)C[C@H]2C[NH3+])nc[nH+]1 ZINC000420259270 290122168 /nfs/dbraw/zinc/12/21/68/290122168.db2.gz LMYVMAITNGAPPR-WOPDTQHZSA-N 2 2 279.388 0.833 20 0 CCADLP CO[C@H](C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354945819 294206086 /nfs/dbraw/zinc/20/60/86/294206086.db2.gz CVTQHFNHMBEKKQ-CHWSQXEVSA-N 2 2 283.416 0.648 20 0 CCADLP CO[C@H](C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354945819 294206087 /nfs/dbraw/zinc/20/60/87/294206087.db2.gz CVTQHFNHMBEKKQ-CHWSQXEVSA-N 2 2 283.416 0.648 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000389106543 545086348 /nfs/dbraw/zinc/08/63/48/545086348.db2.gz PFLUVRZTNWLZBD-ZDUSSCGKSA-N 2 2 263.345 0.599 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000389106543 545086349 /nfs/dbraw/zinc/08/63/49/545086349.db2.gz PFLUVRZTNWLZBD-ZDUSSCGKSA-N 2 2 263.345 0.599 20 0 CCADLP COc1c(N)nc[nH+]c1N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000389106543 545086350 /nfs/dbraw/zinc/08/63/50/545086350.db2.gz PFLUVRZTNWLZBD-ZDUSSCGKSA-N 2 2 263.345 0.599 20 0 CCADLP COc1c(N)nc[nH+]c1N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000389106543 545086351 /nfs/dbraw/zinc/08/63/51/545086351.db2.gz PFLUVRZTNWLZBD-ZDUSSCGKSA-N 2 2 263.345 0.599 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(OCCO)CC1 ZINC000389165126 545087004 /nfs/dbraw/zinc/08/70/04/545087004.db2.gz ZIFRNYQQEFSSIW-ZDUSSCGKSA-N 2 2 274.405 0.161 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(OCCO)CC1 ZINC000389165126 545087005 /nfs/dbraw/zinc/08/70/05/545087005.db2.gz ZIFRNYQQEFSSIW-ZDUSSCGKSA-N 2 2 274.405 0.161 20 0 CCADLP C[C@H](C(=O)N(C1CC1)[C@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000435238910 297995577 /nfs/dbraw/zinc/99/55/77/297995577.db2.gz HUYNAZZDVVDPMK-YPMHNXCESA-N 2 2 267.373 0.060 20 0 CCADLP C[C@H](C(=O)N1CCCCC1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261590826 298014267 /nfs/dbraw/zinc/01/42/67/298014267.db2.gz LONXXUJGAXRLJX-MGPQQGTHSA-N 2 2 265.401 0.929 20 0 CCADLP C[C@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261590826 298014264 /nfs/dbraw/zinc/01/42/64/298014264.db2.gz LONXXUJGAXRLJX-MGPQQGTHSA-N 2 2 265.401 0.929 20 0 CCADLP C[C@H](C(=O)N1CCCC[C@H]1[C@H](C)[NH3+])[NH+]1CCOCC1 ZINC000428157299 298024699 /nfs/dbraw/zinc/02/46/99/298024699.db2.gz OWGFVZRXWGOEOW-XQQFMLRXSA-N 2 2 269.389 0.435 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246903947 298134195 /nfs/dbraw/zinc/13/41/95/298134195.db2.gz RPGBNZVDESPIGN-WZRBSPASSA-N 2 2 294.399 0.519 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246903947 298134196 /nfs/dbraw/zinc/13/41/96/298134196.db2.gz RPGBNZVDESPIGN-WZRBSPASSA-N 2 2 294.399 0.519 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246903947 298134197 /nfs/dbraw/zinc/13/41/97/298134197.db2.gz RPGBNZVDESPIGN-WZRBSPASSA-N 2 2 294.399 0.519 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246903947 298134199 /nfs/dbraw/zinc/13/41/99/298134199.db2.gz RPGBNZVDESPIGN-WZRBSPASSA-N 2 2 294.399 0.519 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000127143661 298638610 /nfs/dbraw/zinc/63/86/10/298638610.db2.gz JYKXDVAELGOAPF-RRFJBIMHSA-N 2 2 297.443 0.849 20 0 CCADLP Cc1c[nH]nc1C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000414768703 301033108 /nfs/dbraw/zinc/03/31/08/301033108.db2.gz VNCCMKCELRBLAO-LBPRGKRZSA-N 2 2 279.388 0.538 20 0 CCADLP Cc1c[nH]nc1C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000414768703 301033111 /nfs/dbraw/zinc/03/31/11/301033111.db2.gz VNCCMKCELRBLAO-LBPRGKRZSA-N 2 2 279.388 0.538 20 0 CCADLP Cc1cn[nH]c1C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000414768703 301033114 /nfs/dbraw/zinc/03/31/14/301033114.db2.gz VNCCMKCELRBLAO-LBPRGKRZSA-N 2 2 279.388 0.538 20 0 CCADLP Cc1cn[nH]c1C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000414768703 301033115 /nfs/dbraw/zinc/03/31/15/301033115.db2.gz VNCCMKCELRBLAO-LBPRGKRZSA-N 2 2 279.388 0.538 20 0 CCADLP Cc1cc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])no1 ZINC000436053259 301273523 /nfs/dbraw/zinc/27/35/23/301273523.db2.gz FETXMQZDDOTKMZ-ZDUSSCGKSA-N 2 2 280.372 0.803 20 0 CCADLP Cc1cc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])no1 ZINC000436053259 301273525 /nfs/dbraw/zinc/27/35/25/301273525.db2.gz FETXMQZDDOTKMZ-ZDUSSCGKSA-N 2 2 280.372 0.803 20 0 CCADLP Cc1c[nH+]c(CNC[C@H](O)C[NH+]2CCC(C)CC2)n1C ZINC000341048070 302344482 /nfs/dbraw/zinc/34/44/82/302344482.db2.gz OHQWXMISUHSDPS-AWEZNQCLSA-N 2 2 280.416 0.911 20 0 CCADLP [NH3+]CCC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000163868658 303374162 /nfs/dbraw/zinc/37/41/62/303374162.db2.gz VOFFHILOZRYBDY-AWEZNQCLSA-N 2 2 277.368 0.525 20 0 CCADLP O=C(N1CCn2cc[nH+]c2C1)C12CCC[NH+]1CCC2 ZINC000354447044 303697590 /nfs/dbraw/zinc/69/75/90/303697590.db2.gz GDYQKMCVBZLCBR-UHFFFAOYSA-N 2 2 260.341 0.854 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC1[C@H]2C[N@H+](C/C=C/Cl)C[C@@H]12 ZINC000961149811 649865289 /nfs/dbraw/zinc/86/52/89/649865289.db2.gz MHHKFHVEDBNOHJ-GMJUUCKOSA-N 2 2 294.786 0.990 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC1[C@H]2C[N@@H+](C/C=C/Cl)C[C@@H]12 ZINC000961149811 649865290 /nfs/dbraw/zinc/86/52/90/649865290.db2.gz MHHKFHVEDBNOHJ-GMJUUCKOSA-N 2 2 294.786 0.990 20 0 CCADLP C[C@@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)[C@H](C)[NH3+] ZINC000570963108 327965508 /nfs/dbraw/zinc/96/55/08/327965508.db2.gz PYJANTXAKRVYJR-QWHCGFSZSA-N 2 2 291.395 0.984 20 0 CCADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC1C[NH2+]C1 ZINC000584341145 328128085 /nfs/dbraw/zinc/12/80/85/328128085.db2.gz ZAUNAUJQBPPHSB-UHFFFAOYSA-N 2 2 279.388 0.839 20 0 CCADLP C[C@H](C(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C)[NH+]1CC(C)C1 ZINC000583093352 329314941 /nfs/dbraw/zinc/31/49/41/329314941.db2.gz HZZMFKOPXMZTPM-BFHYXJOUSA-N 2 2 283.416 0.240 20 0 CCADLP C[C@H](C(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C)[NH+]1CC(C)C1 ZINC000583093352 329314943 /nfs/dbraw/zinc/31/49/43/329314943.db2.gz HZZMFKOPXMZTPM-BFHYXJOUSA-N 2 2 283.416 0.240 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)C[C@H]1CCCC[C@@H]1O ZINC000573739756 327254610 /nfs/dbraw/zinc/25/46/10/327254610.db2.gz CKZYYNVUHJJYDY-ILXRZTDVSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@H]1CCCC[C@@H]1O ZINC000573739756 327254612 /nfs/dbraw/zinc/25/46/12/327254612.db2.gz CKZYYNVUHJJYDY-ILXRZTDVSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000573739756 327254613 /nfs/dbraw/zinc/25/46/13/327254613.db2.gz CKZYYNVUHJJYDY-ILXRZTDVSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000573739756 327254615 /nfs/dbraw/zinc/25/46/15/327254615.db2.gz CKZYYNVUHJJYDY-ILXRZTDVSA-N 2 2 288.432 0.408 20 0 CCADLP COCCn1nnc2c1CC[N@H+](CCn1cc[nH+]c1)C2 ZINC000583429139 327360140 /nfs/dbraw/zinc/36/01/40/327360140.db2.gz IXPOGPHGNHFNQR-UHFFFAOYSA-N 2 2 276.344 0.179 20 0 CCADLP COCCn1nnc2c1CC[N@@H+](CCn1cc[nH+]c1)C2 ZINC000583429139 327360142 /nfs/dbraw/zinc/36/01/42/327360142.db2.gz IXPOGPHGNHFNQR-UHFFFAOYSA-N 2 2 276.344 0.179 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCCC[NH+]1CCOCC1 ZINC000583598342 328627749 /nfs/dbraw/zinc/62/77/49/328627749.db2.gz QCRHEYPUNZOWEC-UHFFFAOYSA-N 2 2 266.345 0.112 20 0 CCADLP [NH3+]C[C@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000583692436 329002823 /nfs/dbraw/zinc/00/28/23/329002823.db2.gz BSPZDAVSSNGHHC-UKRRQHHQSA-N 2 2 295.427 0.827 20 0 CCADLP [NH3+]C[C@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000583692436 329002825 /nfs/dbraw/zinc/00/28/25/329002825.db2.gz BSPZDAVSSNGHHC-UKRRQHHQSA-N 2 2 295.427 0.827 20 0 CCADLP COC(=O)C[C@]1([NH2+]Cc2c[nH+]c(C)n2C)CCOC1 ZINC000582797639 329209268 /nfs/dbraw/zinc/20/92/68/329209268.db2.gz VNBLKFZNTHMRGV-CYBMUJFWSA-N 2 2 267.329 0.540 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000583211722 329368261 /nfs/dbraw/zinc/36/82/61/329368261.db2.gz DYMCOVUPIJDDAN-QWHCGFSZSA-N 3 2 282.432 0.399 20 0 CCADLP C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC[NH2+]1 ZINC000580442583 330136078 /nfs/dbraw/zinc/13/60/78/330136078.db2.gz HKNJLYUPSLPZGE-LLVKDONJSA-N 2 2 271.324 0.701 20 0 CCADLP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000580466839 330143631 /nfs/dbraw/zinc/14/36/31/330143631.db2.gz OKTHVXJINNDVCF-PWSUYJOCSA-N 2 2 299.334 0.093 20 0 CCADLP CN(CCC[NH+](C)C)C(=O)NCc1[nH+]ccn1C ZINC000543677857 333888272 /nfs/dbraw/zinc/88/82/72/333888272.db2.gz ANSMWHAMKRLCLL-UHFFFAOYSA-N 2 2 253.350 0.513 20 0 CCADLP CC[N@H+](C[C@H](O)C[NH+](C)CCOC)CC(C)(C)O ZINC000311157268 334015950 /nfs/dbraw/zinc/01/59/50/334015950.db2.gz OPTZBDXYUSUWNN-GFCCVEGCSA-N 2 2 262.394 0.018 20 0 CCADLP CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)CC(C)(C)O ZINC000311157268 334015951 /nfs/dbraw/zinc/01/59/51/334015951.db2.gz OPTZBDXYUSUWNN-GFCCVEGCSA-N 2 2 262.394 0.018 20 0 CCADLP CC[NH+](C[C@H](O)C[N@H+](C)CCOC)CC(C)(C)O ZINC000311157268 334015952 /nfs/dbraw/zinc/01/59/52/334015952.db2.gz OPTZBDXYUSUWNN-GFCCVEGCSA-N 2 2 262.394 0.018 20 0 CCADLP CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)CC(C)(C)O ZINC000311157268 334015953 /nfs/dbraw/zinc/01/59/53/334015953.db2.gz OPTZBDXYUSUWNN-GFCCVEGCSA-N 2 2 262.394 0.018 20 0 CCADLP CC[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccncc1 ZINC000576568756 335219749 /nfs/dbraw/zinc/21/97/49/335219749.db2.gz LWSWYYAQBPPSEZ-UONOGXRCSA-N 2 2 291.399 0.817 20 0 CCADLP CC[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccncc1 ZINC000576568756 335219750 /nfs/dbraw/zinc/21/97/50/335219750.db2.gz LWSWYYAQBPPSEZ-UONOGXRCSA-N 2 2 291.399 0.817 20 0 CCADLP CC(C)COC[C@H](O)C[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000580543797 335270392 /nfs/dbraw/zinc/27/03/92/335270392.db2.gz RZQQNHTZGZKCIF-LSDHHAIUSA-N 2 2 288.432 0.578 20 0 CCADLP [NH3+]CC(F)(F)CC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000580564457 335287065 /nfs/dbraw/zinc/28/70/65/335287065.db2.gz BKQDIGKEALEGMI-UHFFFAOYSA-N 2 2 286.326 0.862 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000577072758 335295401 /nfs/dbraw/zinc/29/54/01/335295401.db2.gz AYUXTHPCEGHVOE-KGLIPLIRSA-N 2 2 286.416 0.569 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000577072758 335295403 /nfs/dbraw/zinc/29/54/03/335295403.db2.gz AYUXTHPCEGHVOE-KGLIPLIRSA-N 2 2 286.416 0.569 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000577072758 335295405 /nfs/dbraw/zinc/29/54/05/335295405.db2.gz AYUXTHPCEGHVOE-KGLIPLIRSA-N 2 2 286.416 0.569 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000577072758 335295406 /nfs/dbraw/zinc/29/54/06/335295406.db2.gz AYUXTHPCEGHVOE-KGLIPLIRSA-N 2 2 286.416 0.569 20 0 CCADLP Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@@H](O)C[NH+](C)C ZINC000577111263 335301865 /nfs/dbraw/zinc/30/18/65/335301865.db2.gz PEYSDYHOWWSLMC-HUUCEWRRSA-N 2 2 296.411 0.555 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000577121609 335303968 /nfs/dbraw/zinc/30/39/68/335303968.db2.gz GOZDCEMOASZVIM-MELADBBJSA-N 2 2 272.389 0.179 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000577121609 335303970 /nfs/dbraw/zinc/30/39/70/335303970.db2.gz GOZDCEMOASZVIM-MELADBBJSA-N 2 2 272.389 0.179 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000577121609 335303972 /nfs/dbraw/zinc/30/39/72/335303972.db2.gz GOZDCEMOASZVIM-MELADBBJSA-N 2 2 272.389 0.179 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000577121609 335303973 /nfs/dbraw/zinc/30/39/73/335303973.db2.gz GOZDCEMOASZVIM-MELADBBJSA-N 2 2 272.389 0.179 20 0 CCADLP CC(=O)NCCC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000580657461 335314053 /nfs/dbraw/zinc/31/40/53/335314053.db2.gz OMICEWZTJDRPIB-LBPRGKRZSA-N 2 2 250.346 0.736 20 0 CCADLP CC(=O)NCCC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000580657461 335314054 /nfs/dbraw/zinc/31/40/54/335314054.db2.gz OMICEWZTJDRPIB-LBPRGKRZSA-N 2 2 250.346 0.736 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)NCc1c[nH+]cn1C ZINC000577265254 335331838 /nfs/dbraw/zinc/33/18/38/335331838.db2.gz CROBRLZXOFDWDI-NSHDSACASA-N 2 2 265.361 0.656 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCc1c[nH+]cn1C ZINC000577265254 335331839 /nfs/dbraw/zinc/33/18/39/335331839.db2.gz CROBRLZXOFDWDI-NSHDSACASA-N 2 2 265.361 0.656 20 0 CCADLP CC[N@H+]1CC[C@H](NC[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000577275639 335333586 /nfs/dbraw/zinc/33/35/86/335333586.db2.gz KHRSHHUJVFBAJW-AJNGGQMLSA-N 2 2 285.432 0.140 20 0 CCADLP COC[C@]1(C(=O)NCCNc2cccc[nH+]2)CC[NH2+]C1 ZINC000577370000 335343647 /nfs/dbraw/zinc/34/36/47/335343647.db2.gz SDJFYILWLKGOPA-AWEZNQCLSA-N 2 2 278.356 0.236 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)C[N@@H+]2CCC(C)(C)C2)n1C ZINC000577401764 335348972 /nfs/dbraw/zinc/34/89/72/335348972.db2.gz FHGDTLPURYTHTI-UHFFFAOYSA-N 2 2 293.415 0.834 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)C[N@H+]2CCC(C)(C)C2)n1C ZINC000577401764 335348974 /nfs/dbraw/zinc/34/89/74/335348974.db2.gz FHGDTLPURYTHTI-UHFFFAOYSA-N 2 2 293.415 0.834 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1C[C@@H](C)O ZINC000380604205 336003894 /nfs/dbraw/zinc/00/38/94/336003894.db2.gz CPEIPJYGNCNEBQ-KFWWJZLASA-N 2 2 288.432 0.551 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1C[C@@H](C)O ZINC000380604205 336003895 /nfs/dbraw/zinc/00/38/95/336003895.db2.gz CPEIPJYGNCNEBQ-KFWWJZLASA-N 2 2 288.432 0.551 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1C[C@@H](C)O ZINC000380604205 336003896 /nfs/dbraw/zinc/00/38/96/336003896.db2.gz CPEIPJYGNCNEBQ-KFWWJZLASA-N 2 2 288.432 0.551 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1C[C@@H](C)O ZINC000380604205 336003897 /nfs/dbraw/zinc/00/38/97/336003897.db2.gz CPEIPJYGNCNEBQ-KFWWJZLASA-N 2 2 288.432 0.551 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000581142471 336015210 /nfs/dbraw/zinc/01/52/10/336015210.db2.gz DHFNWZVHLWUJMY-NSHDSACASA-N 2 2 251.334 0.277 20 0 CCADLP CC(C)[C@H](CNC(=O)CC(F)(F)C[NH3+])[NH+]1CCOCC1 ZINC000581258436 336033384 /nfs/dbraw/zinc/03/33/84/336033384.db2.gz OGBMRVGZHPEIDV-NSHDSACASA-N 2 2 293.358 0.444 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)nc[nH+]1 ZINC000581419667 336074094 /nfs/dbraw/zinc/07/40/94/336074094.db2.gz JCTQTULAKVEYOB-RWMBFGLXSA-N 2 2 291.399 0.705 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)[nH+]cn1 ZINC000581419667 336074095 /nfs/dbraw/zinc/07/40/95/336074095.db2.gz JCTQTULAKVEYOB-RWMBFGLXSA-N 2 2 291.399 0.705 20 0 CCADLP Cc1ncc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)s1 ZINC000383484421 336110000 /nfs/dbraw/zinc/11/00/00/336110000.db2.gz BFOBOBRKEOLHBW-NSHDSACASA-N 2 2 255.387 0.996 20 0 CCADLP Cc1ncc(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)s1 ZINC000383484421 336110002 /nfs/dbraw/zinc/11/00/02/336110002.db2.gz BFOBOBRKEOLHBW-NSHDSACASA-N 2 2 255.387 0.996 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000581829353 336148991 /nfs/dbraw/zinc/14/89/91/336148991.db2.gz OQEWFWSYSXXDQY-ZIAGYGMSSA-N 3 2 257.422 0.621 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000581829353 336148992 /nfs/dbraw/zinc/14/89/92/336148992.db2.gz OQEWFWSYSXXDQY-ZIAGYGMSSA-N 3 2 257.422 0.621 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000581873935 336156069 /nfs/dbraw/zinc/15/60/69/336156069.db2.gz SVQWLGKHFXNQKY-ZIAGYGMSSA-N 2 2 298.431 0.396 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000581873935 336156070 /nfs/dbraw/zinc/15/60/70/336156070.db2.gz SVQWLGKHFXNQKY-ZIAGYGMSSA-N 2 2 298.431 0.396 20 0 CCADLP Cc1nn(C)c(C)c1NC(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000581887119 336160257 /nfs/dbraw/zinc/16/02/57/336160257.db2.gz FCCIHQMAENUULA-NSHDSACASA-N 2 2 281.404 0.938 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](CO)C1CCCC1 ZINC000386193004 336167781 /nfs/dbraw/zinc/16/77/81/336167781.db2.gz DRNKPNFFMCFWOM-MRVWCRGKSA-N 2 2 256.390 0.894 20 0 CCADLP C[C@@H](CNC(=O)[C@H]([NH3+])c1cscn1)[N@H+](C)C1CC1 ZINC000582000377 336188269 /nfs/dbraw/zinc/18/82/69/336188269.db2.gz KFLCGWZQJLBDSD-GZMMTYOYSA-N 2 2 268.386 0.742 20 0 CCADLP C[C@@H](CNC(=O)[C@H]([NH3+])c1cscn1)[N@@H+](C)C1CC1 ZINC000582000377 336188270 /nfs/dbraw/zinc/18/82/70/336188270.db2.gz KFLCGWZQJLBDSD-GZMMTYOYSA-N 2 2 268.386 0.742 20 0 CCADLP O[C@@H]1C[C@H]2CN(c3cc[nH+]cc3Cl)CC[N@@H+]2C1 ZINC000405397295 545092442 /nfs/dbraw/zinc/09/24/42/545092442.db2.gz OTSAXCOYNBEPLP-VHSXEESVSA-N 2 2 253.733 0.990 20 0 CCADLP O[C@@H]1C[C@H]2CN(c3cc[nH+]cc3Cl)CC[N@H+]2C1 ZINC000405397295 545092443 /nfs/dbraw/zinc/09/24/43/545092443.db2.gz OTSAXCOYNBEPLP-VHSXEESVSA-N 2 2 253.733 0.990 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000416440082 545093642 /nfs/dbraw/zinc/09/36/42/545093642.db2.gz RNOSKWPJNYANGN-UTUOFQBUSA-N 2 2 265.361 0.841 20 0 CCADLP COC(=O)Cn1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)nn1 ZINC000358347591 533811833 /nfs/dbraw/zinc/81/18/33/533811833.db2.gz UUROAEGRVFEVBC-MNOVXSKESA-N 2 2 281.360 0.023 20 0 CCADLP COC(=O)Cn1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)nn1 ZINC000358347591 533811842 /nfs/dbraw/zinc/81/18/42/533811842.db2.gz UUROAEGRVFEVBC-MNOVXSKESA-N 2 2 281.360 0.023 20 0 CCADLP C[C@H](CCCC[NH3+])NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418693126 533839758 /nfs/dbraw/zinc/83/97/58/533839758.db2.gz JJDXIAXPFCYZQF-MCIONIFRSA-N 2 2 298.431 0.666 20 0 CCADLP C[C@H](CCCC[NH3+])NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418693126 533839763 /nfs/dbraw/zinc/83/97/63/533839763.db2.gz JJDXIAXPFCYZQF-MCIONIFRSA-N 2 2 298.431 0.666 20 0 CCADLP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2COCC[NH2+]2)c1 ZINC000423784852 534165682 /nfs/dbraw/zinc/16/56/82/534165682.db2.gz NFXSLDOKLJSUMD-AWEZNQCLSA-N 2 2 277.368 0.984 20 0 CCADLP Cc1nc(N2CCC[C@H]3C[N@H+](C)C[C@H]32)nc(N(C)C)[nH+]1 ZINC000425286135 534435990 /nfs/dbraw/zinc/43/59/90/534435990.db2.gz PYWBHFLWQQPUPG-NWDGAFQWSA-N 2 2 276.388 0.776 20 0 CCADLP Cc1nc(N2CCC[C@H]3C[N@@H+](C)C[C@H]32)nc(N(C)C)[nH+]1 ZINC000425286135 534435996 /nfs/dbraw/zinc/43/59/96/534435996.db2.gz PYWBHFLWQQPUPG-NWDGAFQWSA-N 2 2 276.388 0.776 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000353432249 519806748 /nfs/dbraw/zinc/80/67/48/519806748.db2.gz RUZVSCSPEHGVCX-ZNMIVQPWSA-N 2 2 296.459 0.373 20 0 CCADLP CCC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000182721770 520721483 /nfs/dbraw/zinc/72/14/83/520721483.db2.gz LZWGXPCDKRMOKY-VXGBXAGGSA-N 2 2 262.357 0.904 20 0 CCADLP c1nc2cnccn2c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427140723 534538981 /nfs/dbraw/zinc/53/89/81/534538981.db2.gz UQCQCDBUTOMXQV-DGCLKSJQSA-N 2 2 257.341 0.913 20 0 CCADLP c1nc2cnccn2c1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427140723 534538988 /nfs/dbraw/zinc/53/89/88/534538988.db2.gz UQCQCDBUTOMXQV-DGCLKSJQSA-N 2 2 257.341 0.913 20 0 CCADLP COc1c(C)c[nH+]c(CN2CC[NH+](CC(N)=O)CC2)c1C ZINC000067227315 521813192 /nfs/dbraw/zinc/81/31/92/521813192.db2.gz OXKYJMNKTKXRGN-UHFFFAOYSA-N 2 2 292.383 0.310 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)NCC[NH+]1CCOCC1 ZINC000183463511 522308517 /nfs/dbraw/zinc/30/85/17/522308517.db2.gz OJBJSHFNVFYXOM-UHFFFAOYSA-N 2 2 278.356 0.210 20 0 CCADLP CC(C)[NH+]1CCC(O)(CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000527263007 545101711 /nfs/dbraw/zinc/10/17/11/545101711.db2.gz MSEQRLJZDRJALY-UHFFFAOYSA-N 2 2 294.399 0.694 20 0 CCADLP CC(C)[NH+]1CCC(O)(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000527263007 545101712 /nfs/dbraw/zinc/10/17/12/545101712.db2.gz MSEQRLJZDRJALY-UHFFFAOYSA-N 2 2 294.399 0.694 20 0 CCADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000353436293 523412954 /nfs/dbraw/zinc/41/29/54/523412954.db2.gz XSQPRZZNZLCFNY-QWHCGFSZSA-N 2 2 283.416 0.602 20 0 CCADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000353436293 523412963 /nfs/dbraw/zinc/41/29/63/523412963.db2.gz XSQPRZZNZLCFNY-QWHCGFSZSA-N 2 2 283.416 0.602 20 0 CCADLP COC(=O)[C@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363727831 523880453 /nfs/dbraw/zinc/88/04/53/523880453.db2.gz NVPWPBHPHHFFHF-ZDUSSCGKSA-N 2 2 284.400 0.982 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)CN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000557046302 545102223 /nfs/dbraw/zinc/10/22/23/545102223.db2.gz SDKXHTOMZIVCSQ-JKJDWNRSSA-N 2 2 299.459 0.481 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)CN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000557046302 545102224 /nfs/dbraw/zinc/10/22/24/545102224.db2.gz SDKXHTOMZIVCSQ-JKJDWNRSSA-N 2 2 299.459 0.481 20 0 CCADLP C[C@H](CS(C)(=O)=O)[NH2+]CCCNc1cccc[nH+]1 ZINC000183086688 524605457 /nfs/dbraw/zinc/60/54/57/524605457.db2.gz KLFHLFLPBOBJSM-LLVKDONJSA-N 2 2 271.386 0.906 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000493794818 534801549 /nfs/dbraw/zinc/80/15/49/534801549.db2.gz UBJKQCNBLFSGBE-VQTKUKTRSA-N 2 2 290.367 0.746 20 0 CCADLP C[N@H+](CCNc1nc[nH+]c2c1OCCN2)Cc1ccccc1 ZINC000665694139 545103357 /nfs/dbraw/zinc/10/33/57/545103357.db2.gz XSPOANFOQKOJEY-UHFFFAOYSA-N 2 2 299.378 0.937 20 0 CCADLP C[N@@H+](CCNc1nc[nH+]c2c1OCCN2)Cc1ccccc1 ZINC000665694139 545103358 /nfs/dbraw/zinc/10/33/58/545103358.db2.gz XSPOANFOQKOJEY-UHFFFAOYSA-N 2 2 299.378 0.937 20 0 CCADLP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358254061 534850627 /nfs/dbraw/zinc/85/06/27/534850627.db2.gz OYEQIMHBMQGFSF-GXFFZTMASA-N 2 2 252.362 0.446 20 0 CCADLP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358254061 534850631 /nfs/dbraw/zinc/85/06/31/534850631.db2.gz OYEQIMHBMQGFSF-GXFFZTMASA-N 2 2 252.362 0.446 20 0 CCADLP CC[N@@H+]1CCN(c2nc[nH+]c3c2OCCN3)C[C@H]1C ZINC000665708680 545104750 /nfs/dbraw/zinc/10/47/50/545104750.db2.gz BUNCJIRGSJZIKE-SNVBAGLBSA-N 2 2 263.345 0.811 20 0 CCADLP CC[N@H+]1CCN(c2nc[nH+]c3c2OCCN3)C[C@H]1C ZINC000665708680 545104751 /nfs/dbraw/zinc/10/47/51/545104751.db2.gz BUNCJIRGSJZIKE-SNVBAGLBSA-N 2 2 263.345 0.811 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366558747 526676933 /nfs/dbraw/zinc/67/69/33/526676933.db2.gz SVSBDLISGJRASQ-ZDUSSCGKSA-N 2 2 278.356 0.206 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccncc1F ZINC000666495499 545124164 /nfs/dbraw/zinc/12/41/64/545124164.db2.gz IAALHPGRJRCTQC-UHFFFAOYSA-N 2 2 297.378 0.648 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccncc1F ZINC000666495499 545124165 /nfs/dbraw/zinc/12/41/65/545124165.db2.gz IAALHPGRJRCTQC-UHFFFAOYSA-N 2 2 297.378 0.648 20 0 CCADLP CC(C)(CN1CCOCC1)[NH2+]CCn1cc[nH+]c1 ZINC000308649310 527088720 /nfs/dbraw/zinc/08/87/20/527088720.db2.gz XGRZRVUTAWPUOE-UHFFFAOYSA-N 2 2 252.362 0.584 20 0 CCADLP [NH3+]C1CCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000157572143 527142776 /nfs/dbraw/zinc/14/27/76/527142776.db2.gz DUSHMVBYWRMHDT-UHFFFAOYSA-N 2 2 258.325 0.827 20 0 CCADLP Cc1[nH+]cc(CN2CC[C@@H](C[NH+]3CCOCC3)C2)n1C ZINC000667670751 545153297 /nfs/dbraw/zinc/15/32/97/545153297.db2.gz YFODXPMQLLWJDX-AWEZNQCLSA-N 2 2 278.400 0.883 20 0 CCADLP O[C@@H]1C[C@H](O)C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667692128 545153662 /nfs/dbraw/zinc/15/36/62/545153662.db2.gz ZJDIGDZDLPTGOD-OKILXGFUSA-N 2 2 274.324 0.195 20 0 CCADLP O[C@@H]1C[C@H](O)C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667692128 545153663 /nfs/dbraw/zinc/15/36/63/545153663.db2.gz ZJDIGDZDLPTGOD-OKILXGFUSA-N 2 2 274.324 0.195 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000163827479 527426949 /nfs/dbraw/zinc/42/69/49/527426949.db2.gz NRBUVAHYZTWLCU-LBPRGKRZSA-N 2 2 253.346 0.663 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000163827479 527426955 /nfs/dbraw/zinc/42/69/55/527426955.db2.gz NRBUVAHYZTWLCU-LBPRGKRZSA-N 2 2 253.346 0.663 20 0 CCADLP C([NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)[C@@H]1C[NH2+]CCO1 ZINC000423560157 527492195 /nfs/dbraw/zinc/49/21/95/527492195.db2.gz JNSJVDZNRVZZCP-RFQIPJPRSA-N 2 2 266.385 0.912 20 0 CCADLP C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000668330258 545173478 /nfs/dbraw/zinc/17/34/78/545173478.db2.gz OFWUHGLNKPKNDQ-WDEREUQCSA-N 2 2 262.357 0.725 20 0 CCADLP C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000668330258 545173479 /nfs/dbraw/zinc/17/34/79/545173479.db2.gz OFWUHGLNKPKNDQ-WDEREUQCSA-N 2 2 262.357 0.725 20 0 CCADLP C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000668330258 545173480 /nfs/dbraw/zinc/17/34/80/545173480.db2.gz OFWUHGLNKPKNDQ-WDEREUQCSA-N 2 2 262.357 0.725 20 0 CCADLP C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000668330258 545173481 /nfs/dbraw/zinc/17/34/81/545173481.db2.gz OFWUHGLNKPKNDQ-WDEREUQCSA-N 2 2 262.357 0.725 20 0 CCADLP C[NH+](C)C1(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000668379004 545175885 /nfs/dbraw/zinc/17/58/85/545175885.db2.gz YWGANCFVABNGOC-QWHCGFSZSA-N 2 2 281.400 0.138 20 0 CCADLP C[N@H+]1CCN(C(=O)NCc2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000668551171 545181497 /nfs/dbraw/zinc/18/14/97/545181497.db2.gz SCKJSVXCJDIDAR-ZDUSSCGKSA-N 2 2 280.347 0.610 20 0 CCADLP CCn1c[nH+]cc1CN(CC[NH+](C)C)CC(=O)N(C)C ZINC000668557069 545181808 /nfs/dbraw/zinc/18/18/08/545181808.db2.gz AYZIBUXBRZTBNT-UHFFFAOYSA-N 2 2 281.404 0.355 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]C[C@@H](O)C2CCOCC2)[C@@H](C)C1 ZINC000358170908 527991011 /nfs/dbraw/zinc/99/10/11/527991011.db2.gz QZVBROJQEBVHEX-FPMFFAJLSA-N 2 2 256.390 0.704 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]C[C@@H](O)C2CCOCC2)[C@@H](C)C1 ZINC000358170908 527991013 /nfs/dbraw/zinc/99/10/13/527991013.db2.gz QZVBROJQEBVHEX-FPMFFAJLSA-N 2 2 256.390 0.704 20 0 CCADLP C[C@H](NC(=O)N[C@@H]1CCC[NH2+]CC1)[C@H](C)[NH+]1CCOCC1 ZINC000669463909 545209061 /nfs/dbraw/zinc/20/90/61/545209061.db2.gz CNHBLWQSGOMXIW-MELADBBJSA-N 2 2 298.431 0.537 20 0 CCADLP C[C@H](NC(=O)N[C@H]1CCC[NH2+]CC1)[C@H](C)[NH+]1CCOCC1 ZINC000669463908 545209101 /nfs/dbraw/zinc/20/91/01/545209101.db2.gz CNHBLWQSGOMXIW-IHRRRGAJSA-N 2 2 298.431 0.537 20 0 CCADLP CC[NH+](CC)CC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449653400 528088171 /nfs/dbraw/zinc/08/81/71/528088171.db2.gz CCCPXNHENCYNSR-SNVBAGLBSA-N 2 2 263.332 0.689 20 0 CCADLP CCNC(=O)N1CC[C@H]([NH2+][C@@H]2C[N@H+](CC)C[C@H]2C)C1 ZINC000358283165 528156401 /nfs/dbraw/zinc/15/64/01/528156401.db2.gz CVKGHCFIHFMGCF-FRRDWIJNSA-N 2 2 268.405 0.720 20 0 CCADLP CCNC(=O)N1CC[C@H]([NH2+][C@@H]2C[N@@H+](CC)C[C@H]2C)C1 ZINC000358283165 528156405 /nfs/dbraw/zinc/15/64/05/528156405.db2.gz CVKGHCFIHFMGCF-FRRDWIJNSA-N 2 2 268.405 0.720 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424328918 528167228 /nfs/dbraw/zinc/16/72/28/528167228.db2.gz GBJCMWZERUDOOV-OPRDCNLKSA-N 2 2 256.350 0.080 20 0 CCADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+] ZINC000669589307 545215736 /nfs/dbraw/zinc/21/57/36/545215736.db2.gz QPEAIAWUZSMGNT-KGLIPLIRSA-N 3 2 299.463 0.391 20 0 CCADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+] ZINC000669589307 545215737 /nfs/dbraw/zinc/21/57/37/545215737.db2.gz QPEAIAWUZSMGNT-KGLIPLIRSA-N 3 2 299.463 0.391 20 0 CCADLP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000669589307 545215738 /nfs/dbraw/zinc/21/57/38/545215738.db2.gz QPEAIAWUZSMGNT-KGLIPLIRSA-N 3 2 299.463 0.391 20 0 CCADLP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000669589307 545215739 /nfs/dbraw/zinc/21/57/39/545215739.db2.gz QPEAIAWUZSMGNT-KGLIPLIRSA-N 3 2 299.463 0.391 20 0 CCADLP C[C@H](NC(=O)N1CC[NH2+][C@H](C)[C@@H]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000669538429 545213569 /nfs/dbraw/zinc/21/35/69/545213569.db2.gz PXZKAMNLEPHPQF-VOAKCMCISA-N 2 2 284.404 0.097 20 0 CCADLP C[C@H](NC(=O)N1CC[NH2+][C@H](C)[C@@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000669538429 545213570 /nfs/dbraw/zinc/21/35/70/545213570.db2.gz PXZKAMNLEPHPQF-VOAKCMCISA-N 2 2 284.404 0.097 20 0 CCADLP CCC[C@H](O)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000450402238 528248100 /nfs/dbraw/zinc/24/81/00/528248100.db2.gz KLEHFKXPZFQISM-LBPRGKRZSA-N 2 2 252.362 0.688 20 0 CCADLP Cc1c[nH]nc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000669604530 545216337 /nfs/dbraw/zinc/21/63/37/545216337.db2.gz JYSXYAUPGXTJET-UHFFFAOYSA-N 2 2 293.415 0.816 20 0 CCADLP Cc1c[nH]nc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000669604530 545216338 /nfs/dbraw/zinc/21/63/38/545216338.db2.gz JYSXYAUPGXTJET-UHFFFAOYSA-N 2 2 293.415 0.816 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CC[C@@H]2C2CCC2)CC1 ZINC000669846930 545222138 /nfs/dbraw/zinc/22/21/38/545222138.db2.gz DGSAKCVLZGMHTN-KGLIPLIRSA-N 2 2 265.401 0.929 20 0 CCADLP CC(C)C[C@@H](C[NH3+])NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000418116219 528300366 /nfs/dbraw/zinc/30/03/66/528300366.db2.gz QCABPXFFDIDVEY-ZDUSSCGKSA-N 2 2 298.431 0.524 20 0 CCADLP CC[NH2+]CCNC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000418332645 528309665 /nfs/dbraw/zinc/30/96/65/528309665.db2.gz ZWYWDNVEVFPNTH-UHFFFAOYSA-N 2 2 291.399 0.831 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CCO1 ZINC000669689373 545218937 /nfs/dbraw/zinc/21/89/37/545218937.db2.gz KBDCREULYYXBBM-OWCLPIDISA-N 2 2 297.443 0.238 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000418595998 528403190 /nfs/dbraw/zinc/40/31/90/528403190.db2.gz AZCPJXBWEJPBAH-CYBMUJFWSA-N 2 2 291.399 0.911 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000423613854 528419213 /nfs/dbraw/zinc/41/92/13/528419213.db2.gz WFTWKZXLCOPGBI-OCCSQVGLSA-N 2 2 283.416 0.744 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000423613854 528419219 /nfs/dbraw/zinc/41/92/19/528419219.db2.gz WFTWKZXLCOPGBI-OCCSQVGLSA-N 2 2 283.416 0.744 20 0 CCADLP C[NH2+]C(C)(C)CNC(=O)Nc1cc[nH+]cc1N(C)C ZINC000670080648 545228460 /nfs/dbraw/zinc/22/84/60/545228460.db2.gz JAJQUYJSKHCWQW-UHFFFAOYSA-N 2 2 265.361 0.689 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000423616323 528479671 /nfs/dbraw/zinc/47/96/71/528479671.db2.gz RWTWCLUMEDEQDS-MELADBBJSA-N 2 2 283.416 0.744 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000423616323 528479673 /nfs/dbraw/zinc/47/96/73/528479673.db2.gz RWTWCLUMEDEQDS-MELADBBJSA-N 2 2 283.416 0.744 20 0 CCADLP CCC[NH2+]CCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000418484649 528491221 /nfs/dbraw/zinc/49/12/21/528491221.db2.gz ZEPBQKSHJKFEDC-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000449149963 528537333 /nfs/dbraw/zinc/53/73/33/528537333.db2.gz YGCQUARRUFIKTB-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP CCC(CC)[C@H](C(=O)N[C@@H](C)[C@@H](C)[NH3+])[NH+]1CCOCC1 ZINC000449605643 528843150 /nfs/dbraw/zinc/84/31/50/528843150.db2.gz WTAVPJAZHGHVQC-MBNYWOFBSA-N 2 2 285.432 0.975 20 0 CCADLP C[C@H](C(=O)N[C@H]1CCc2c[nH+]cn2C1)[NH+]1CCSCC1 ZINC000672155050 545263899 /nfs/dbraw/zinc/26/38/99/545263899.db2.gz WWIFEUKLQIRHPX-NEPJUHHUSA-N 2 2 294.424 0.751 20 0 CCADLP C[C@H](NC(=O)CCc1[nH]cc[nH+]1)[C@@H]1C[N@H+](C)CCO1 ZINC000673017419 545278073 /nfs/dbraw/zinc/27/80/73/545278073.db2.gz YDMJGJUTUMOQJN-QWRGUYRKSA-N 2 2 266.345 0.178 20 0 CCADLP C[C@H](NC(=O)CCc1[nH]cc[nH+]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000673017419 545278074 /nfs/dbraw/zinc/27/80/74/545278074.db2.gz YDMJGJUTUMOQJN-QWRGUYRKSA-N 2 2 266.345 0.178 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])CCO1 ZINC000424451942 529118623 /nfs/dbraw/zinc/11/86/23/529118623.db2.gz GAKUWFJPXNKCNT-CHWSQXEVSA-N 2 2 298.431 0.666 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])CCO1 ZINC000424451942 529118627 /nfs/dbraw/zinc/11/86/27/529118627.db2.gz GAKUWFJPXNKCNT-CHWSQXEVSA-N 2 2 298.431 0.666 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000426491272 529132109 /nfs/dbraw/zinc/13/21/09/529132109.db2.gz GXWOFERZKOYTIF-AWEZNQCLSA-N 2 2 295.427 0.840 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000426491272 529132111 /nfs/dbraw/zinc/13/21/11/529132111.db2.gz GXWOFERZKOYTIF-AWEZNQCLSA-N 2 2 295.427 0.840 20 0 CCADLP CC1(C)COCC[NH+]1CCNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000426491272 529132113 /nfs/dbraw/zinc/13/21/13/529132113.db2.gz GXWOFERZKOYTIF-AWEZNQCLSA-N 2 2 295.427 0.840 20 0 CCADLP CC1(C)COCC[NH+]1CCNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000426491272 529132116 /nfs/dbraw/zinc/13/21/16/529132116.db2.gz GXWOFERZKOYTIF-AWEZNQCLSA-N 2 2 295.427 0.840 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[N@H+](CCC(=O)OC)[C@H](C)C1 ZINC000423900128 529249238 /nfs/dbraw/zinc/24/92/38/529249238.db2.gz RIUORDCJZLPWSL-SCRDCRAPSA-N 2 2 299.415 0.456 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[N@@H+](CCC(=O)OC)[C@H](C)C1 ZINC000423900128 529249239 /nfs/dbraw/zinc/24/92/39/529249239.db2.gz RIUORDCJZLPWSL-SCRDCRAPSA-N 2 2 299.415 0.456 20 0 CCADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)[C@H]1C[NH+](CC)CCO1 ZINC000456395030 529289514 /nfs/dbraw/zinc/28/95/14/529289514.db2.gz ZICKYOLKYMBTNP-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)[C@H]1C[NH+](CC)CCO1 ZINC000456395030 529289517 /nfs/dbraw/zinc/28/95/17/529289517.db2.gz ZICKYOLKYMBTNP-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@H]1C[NH+](CC)CCN1C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000456395030 529289520 /nfs/dbraw/zinc/28/95/20/529289520.db2.gz ZICKYOLKYMBTNP-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@H]1C[NH+](CC)CCN1C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000456395030 529289521 /nfs/dbraw/zinc/28/95/21/529289521.db2.gz ZICKYOLKYMBTNP-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)NCC[C@H]2CCC[NH2+]2)CCO1 ZINC000418553178 529293103 /nfs/dbraw/zinc/29/31/03/529293103.db2.gz SHPPYFSXNFYWBY-KGLIPLIRSA-N 2 2 298.431 0.539 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)NCC[C@H]2CCC[NH2+]2)CCO1 ZINC000418553178 529293105 /nfs/dbraw/zinc/29/31/05/529293105.db2.gz SHPPYFSXNFYWBY-KGLIPLIRSA-N 2 2 298.431 0.539 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)NCCC[NH2+]C2CC2)CCO1 ZINC000418301905 529293137 /nfs/dbraw/zinc/29/31/37/529293137.db2.gz PIVRIEVXLRSUAA-AWEZNQCLSA-N 2 2 298.431 0.539 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)NCCC[NH2+]C2CC2)CCO1 ZINC000418301905 529293141 /nfs/dbraw/zinc/29/31/41/529293141.db2.gz PIVRIEVXLRSUAA-AWEZNQCLSA-N 2 2 298.431 0.539 20 0 CCADLP C[C@@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)[NH+](C)C ZINC000674287189 545302315 /nfs/dbraw/zinc/30/23/15/545302315.db2.gz ZRIFCFIEQUOOEX-LBPRGKRZSA-N 3 2 291.399 0.722 20 0 CCADLP CCN(CC)C(=O)C[NH+]1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261916258 535431130 /nfs/dbraw/zinc/43/11/30/535431130.db2.gz ZJKPVCKVUDMQLK-MRXNPFEDSA-N 2 2 296.459 0.472 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1 ZINC000676349156 545342320 /nfs/dbraw/zinc/34/23/20/545342320.db2.gz UTWWILGHWGPPOE-NWDGAFQWSA-N 2 2 257.378 0.164 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1 ZINC000676349156 545342321 /nfs/dbraw/zinc/34/23/21/545342321.db2.gz UTWWILGHWGPPOE-NWDGAFQWSA-N 2 2 257.378 0.164 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000676349156 545342322 /nfs/dbraw/zinc/34/23/22/545342322.db2.gz UTWWILGHWGPPOE-NWDGAFQWSA-N 2 2 257.378 0.164 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000676349156 545342323 /nfs/dbraw/zinc/34/23/23/545342323.db2.gz UTWWILGHWGPPOE-NWDGAFQWSA-N 2 2 257.378 0.164 20 0 CCADLP CCN(C)C(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000516875607 535719016 /nfs/dbraw/zinc/71/90/16/535719016.db2.gz SCAURPKSEQDUBH-UHFFFAOYSA-N 2 2 251.334 0.010 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)C1 ZINC000343281957 535781778 /nfs/dbraw/zinc/78/17/78/535781778.db2.gz HOWQABHMMHGFGR-GOEBONIOSA-N 3 2 282.476 0.942 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)C1 ZINC000343281957 535781782 /nfs/dbraw/zinc/78/17/82/535781782.db2.gz HOWQABHMMHGFGR-GOEBONIOSA-N 3 2 282.476 0.942 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000344260420 535781886 /nfs/dbraw/zinc/78/18/86/535781886.db2.gz LCYWUPYWAOXOKQ-UONOGXRCSA-N 3 2 282.432 0.080 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000344260420 535781889 /nfs/dbraw/zinc/78/18/89/535781889.db2.gz LCYWUPYWAOXOKQ-UONOGXRCSA-N 3 2 282.432 0.080 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]CCN2CCOC[C@H]2C)[C@@H](C)C1 ZINC000347767261 535783480 /nfs/dbraw/zinc/78/34/80/535783480.db2.gz CNGOXFFSJZGRBM-MJBXVCDLSA-N 2 2 255.406 0.637 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]CCN2CCOC[C@H]2C)[C@@H](C)C1 ZINC000347767261 535783481 /nfs/dbraw/zinc/78/34/81/535783481.db2.gz CNGOXFFSJZGRBM-MJBXVCDLSA-N 2 2 255.406 0.637 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC000677194114 545360475 /nfs/dbraw/zinc/36/04/75/545360475.db2.gz QKDHWFUYPGCFKM-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC000677194114 545360476 /nfs/dbraw/zinc/36/04/76/545360476.db2.gz QKDHWFUYPGCFKM-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP Cn1ncc2c1nc[nH+]c2N1CC[C@@H](OCC[NH+](C)C)C1 ZINC000677420710 545364893 /nfs/dbraw/zinc/36/48/93/545364893.db2.gz HNRCHQKGSQNRTI-LLVKDONJSA-N 2 2 290.371 0.520 20 0 CCADLP C[N@H+](CC(=O)NCc1c[nH+]c[nH]1)[C@H]1CCSC1 ZINC000677897285 545376072 /nfs/dbraw/zinc/37/60/72/545376072.db2.gz YRBAFKCPRHTLNA-JTQLQIEISA-N 2 2 254.359 0.463 20 0 CCADLP C[N@@H+](CC(=O)NCc1c[nH+]c[nH]1)[C@H]1CCSC1 ZINC000677897285 545376073 /nfs/dbraw/zinc/37/60/73/545376073.db2.gz YRBAFKCPRHTLNA-JTQLQIEISA-N 2 2 254.359 0.463 20 0 CCADLP C[N@H+](CC(=O)NCc1c[nH]c[nH+]1)[C@H]1CCSC1 ZINC000677897285 545376074 /nfs/dbraw/zinc/37/60/74/545376074.db2.gz YRBAFKCPRHTLNA-JTQLQIEISA-N 2 2 254.359 0.463 20 0 CCADLP C[N@@H+](CC(=O)NCc1c[nH]c[nH+]1)[C@H]1CCSC1 ZINC000677897285 545376075 /nfs/dbraw/zinc/37/60/75/545376075.db2.gz YRBAFKCPRHTLNA-JTQLQIEISA-N 2 2 254.359 0.463 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CCCO3)CC2)CC1 ZINC000050802876 536339871 /nfs/dbraw/zinc/33/98/71/536339871.db2.gz ODMOUOFVKXIZCN-OAHLLOKOSA-N 2 2 295.427 0.840 20 0 CCADLP CCC[NH+]1CCC([NH2+][C@@H](CO)c2cnn(C)c2)CC1 ZINC000678774448 545397062 /nfs/dbraw/zinc/39/70/62/545397062.db2.gz IMQAMDXNJSGXIT-AWEZNQCLSA-N 2 2 266.389 0.918 20 0 CCADLP Cc1nnc(CN2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)[nH]1 ZINC000678888115 545399598 /nfs/dbraw/zinc/39/95/98/545399598.db2.gz XTCCXGSUTIWOGE-AWEZNQCLSA-N 2 2 292.431 0.715 20 0 CCADLP Cc1nnc(CN2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)[nH]1 ZINC000678888115 545399599 /nfs/dbraw/zinc/39/95/99/545399599.db2.gz XTCCXGSUTIWOGE-AWEZNQCLSA-N 2 2 292.431 0.715 20 0 CCADLP CN(c1cc(N2CCOCC2)nc[nH+]1)C1CC([NH3+])C1 ZINC000517020378 536488055 /nfs/dbraw/zinc/48/80/55/536488055.db2.gz CBLWYZIECPGBNT-UHFFFAOYSA-N 2 2 263.345 0.239 20 0 CCADLP CN(c1cc(N2CCOCC2)[nH+]cn1)C1CC([NH3+])C1 ZINC000517020378 536488056 /nfs/dbraw/zinc/48/80/56/536488056.db2.gz CBLWYZIECPGBNT-UHFFFAOYSA-N 2 2 263.345 0.239 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000680580952 545432794 /nfs/dbraw/zinc/43/27/94/545432794.db2.gz PUSNRWMVPFBXIR-ZDUSSCGKSA-N 2 2 262.357 0.943 20 0 CCADLP CO[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000681178815 545444675 /nfs/dbraw/zinc/44/46/75/545444675.db2.gz USDBXDCFGFGARZ-UKRRQHHQSA-N 2 2 297.443 0.942 20 0 CCADLP CO[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000681178815 545444676 /nfs/dbraw/zinc/44/46/76/545444676.db2.gz USDBXDCFGFGARZ-UKRRQHHQSA-N 2 2 297.443 0.942 20 0 CCADLP Cc1nccnc1[C@@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000682132192 545473463 /nfs/dbraw/zinc/47/34/63/545473463.db2.gz DCYSSECVSYFGHG-GFCCVEGCSA-N 2 2 277.372 0.210 20 0 CCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682525795 545482466 /nfs/dbraw/zinc/48/24/66/545482466.db2.gz NRTNNMSKHRZNMH-JHJVBQTASA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682525795 545482467 /nfs/dbraw/zinc/48/24/67/545482467.db2.gz NRTNNMSKHRZNMH-JHJVBQTASA-N 2 2 276.384 0.997 20 0 CCADLP CCN1OC[C@H]([NH+]2CCC(n3cc[nH+]c3)CC2)C1=O ZINC000682678268 545487659 /nfs/dbraw/zinc/48/76/59/545487659.db2.gz PYHJDNQBWYFHAV-LBPRGKRZSA-N 2 2 264.329 0.682 20 0 CCADLP CC[N@@H+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)C[C@@H]1C ZINC000683393095 545516848 /nfs/dbraw/zinc/51/68/48/545516848.db2.gz JAASDWQEXZMPCJ-ZDUSSCGKSA-N 2 2 291.399 0.844 20 0 CCADLP CC[N@H+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)C[C@@H]1C ZINC000683393095 545516851 /nfs/dbraw/zinc/51/68/51/545516851.db2.gz JAASDWQEXZMPCJ-ZDUSSCGKSA-N 2 2 291.399 0.844 20 0 CCADLP O=C([C@H]1CCC[N@H+]1C1CC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000683859181 545572255 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C[C@H](CN1CCOCC1)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000789342404 581144369 /nfs/dbraw/zinc/14/43/69/581144369.db2.gz UVJGUQZACXMWFE-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H](CN1CCOCC1)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000789342404 581144371 /nfs/dbraw/zinc/14/43/71/581144371.db2.gz UVJGUQZACXMWFE-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP c1c[nH+]c(N2CC[NH+](CCC3OCCO3)CC2)[nH]1 ZINC000791048861 581205894 /nfs/dbraw/zinc/20/58/94/581205894.db2.gz VFTUTKMLBODWHC-UHFFFAOYSA-N 2 2 252.318 0.295 20 0 CCADLP COc1ccccc1[C@@H](CO)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000782067016 581286707 /nfs/dbraw/zinc/28/67/07/581286707.db2.gz IBVZWWJUHRNUIX-UKRRQHHQSA-N 2 2 294.395 0.775 20 0 CCADLP Cn1c[nH+]cc1CCOC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000793251601 581289786 /nfs/dbraw/zinc/28/97/86/581289786.db2.gz HMLRPCVHZPDSBE-GFCCVEGCSA-N 2 2 283.397 0.943 20 0 CCADLP Cn1c[nH+]cc1CCOC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000793251601 581289788 /nfs/dbraw/zinc/28/97/88/581289788.db2.gz HMLRPCVHZPDSBE-GFCCVEGCSA-N 2 2 283.397 0.943 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000793290313 581292414 /nfs/dbraw/zinc/29/24/14/581292414.db2.gz DZRYMVBNKLLSDM-KGLIPLIRSA-N 2 2 292.383 0.332 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000793290313 581292415 /nfs/dbraw/zinc/29/24/15/581292415.db2.gz DZRYMVBNKLLSDM-KGLIPLIRSA-N 2 2 292.383 0.332 20 0 CCADLP COCCC[N@H+](C)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783974516 581369063 /nfs/dbraw/zinc/36/90/63/581369063.db2.gz JBRMKIMCPSDKOM-GFCCVEGCSA-N 2 2 280.372 0.662 20 0 CCADLP COCCC[N@@H+](C)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783974516 581369064 /nfs/dbraw/zinc/36/90/64/581369064.db2.gz JBRMKIMCPSDKOM-GFCCVEGCSA-N 2 2 280.372 0.662 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]CC1CCC2(CC1)OCCO2 ZINC000795935250 581428093 /nfs/dbraw/zinc/42/80/93/581428093.db2.gz NSWHANTVBWDVMA-HNNXBMFYSA-N 2 2 297.443 0.755 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]CC1CCC2(CC1)OCCO2 ZINC000795935250 581428094 /nfs/dbraw/zinc/42/80/94/581428094.db2.gz NSWHANTVBWDVMA-HNNXBMFYSA-N 2 2 297.443 0.755 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]C2CCN(c3cnccn3)CC2)C1 ZINC000765772066 581535378 /nfs/dbraw/zinc/53/53/78/581535378.db2.gz VNTLETTZTQRGQY-ZDUSSCGKSA-N 2 2 261.373 0.739 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]C2CCN(c3cnccn3)CC2)C1 ZINC000765772066 581535380 /nfs/dbraw/zinc/53/53/80/581535380.db2.gz VNTLETTZTQRGQY-ZDUSSCGKSA-N 2 2 261.373 0.739 20 0 CCADLP C[C@H](C[NH+]1CCN(c2cc[nH+]cc2)CC1)CS(C)(=O)=O ZINC000151321098 581562882 /nfs/dbraw/zinc/56/28/82/581562882.db2.gz PVSOXGWYDGYMON-CYBMUJFWSA-N 2 2 297.424 0.884 20 0 CCADLP CN(C)c1cc[nH+]c(N2CC[N@@H+]3CCOC[C@H]3C2)n1 ZINC000754081806 581574462 /nfs/dbraw/zinc/57/44/62/581574462.db2.gz LHNOSKSSPNPMOE-LLVKDONJSA-N 2 2 263.345 0.063 20 0 CCADLP CN(C)c1cc[nH+]c(N2CC[N@H+]3CCOC[C@H]3C2)n1 ZINC000754081806 581574465 /nfs/dbraw/zinc/57/44/65/581574465.db2.gz LHNOSKSSPNPMOE-LLVKDONJSA-N 2 2 263.345 0.063 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000729351098 581576855 /nfs/dbraw/zinc/57/68/55/581576855.db2.gz UBTPCQXCARMEOD-KGLIPLIRSA-N 2 2 292.383 0.643 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000729543805 581603378 /nfs/dbraw/zinc/60/33/78/581603378.db2.gz QQSIDKUEIQNEAU-UONOGXRCSA-N 2 2 284.400 0.671 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000729543805 581603381 /nfs/dbraw/zinc/60/33/81/581603381.db2.gz QQSIDKUEIQNEAU-UONOGXRCSA-N 2 2 284.400 0.671 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC(=O)C2CC2)CC1 ZINC000767417138 581612834 /nfs/dbraw/zinc/61/28/34/581612834.db2.gz JIKUUTUJRCYHKH-AWEZNQCLSA-N 2 2 293.411 0.594 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCC(=O)C2CC2)CC1 ZINC000767417138 581612836 /nfs/dbraw/zinc/61/28/36/581612836.db2.gz JIKUUTUJRCYHKH-AWEZNQCLSA-N 2 2 293.411 0.594 20 0 CCADLP O=C1CCCN1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000739877002 581631605 /nfs/dbraw/zinc/63/16/05/581631605.db2.gz XRNKUKMUUWWTSH-ZDUSSCGKSA-N 2 2 251.374 0.984 20 0 CCADLP O=C1CCCN1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000739877002 581631607 /nfs/dbraw/zinc/63/16/07/581631607.db2.gz XRNKUKMUUWWTSH-ZDUSSCGKSA-N 2 2 251.374 0.984 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000768164564 581645906 /nfs/dbraw/zinc/64/59/06/581645906.db2.gz LQURVAKQHBIKDF-MCIONIFRSA-N 2 2 286.441 0.649 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000768164564 581645909 /nfs/dbraw/zinc/64/59/09/581645909.db2.gz LQURVAKQHBIKDF-MCIONIFRSA-N 2 2 286.441 0.649 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=S)NCC[NH+]1CCOCC1 ZINC000743580294 581816979 /nfs/dbraw/zinc/81/69/79/581816979.db2.gz PQRQUVGTTDDVQE-LBPRGKRZSA-N 2 2 288.461 0.123 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)CCO1 ZINC000759968805 581834108 /nfs/dbraw/zinc/83/41/08/581834108.db2.gz ZATPNHWZJQAXRG-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)CCO1 ZINC000759968805 581834111 /nfs/dbraw/zinc/83/41/11/581834111.db2.gz ZATPNHWZJQAXRG-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)NCC[NH+](C)C2CC2)CCO1 ZINC000732889179 581853413 /nfs/dbraw/zinc/85/34/13/581853413.db2.gz TZOBXWMADUWAPL-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)NCC[NH+](C)C2CC2)CCO1 ZINC000732889179 581853416 /nfs/dbraw/zinc/85/34/16/581853416.db2.gz TZOBXWMADUWAPL-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)NCC[N@H+](C)C2CC2)CCO1 ZINC000732889179 581853418 /nfs/dbraw/zinc/85/34/18/581853418.db2.gz TZOBXWMADUWAPL-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)NCC[N@@H+](C)C2CC2)CCO1 ZINC000732889179 581853422 /nfs/dbraw/zinc/85/34/22/581853422.db2.gz TZOBXWMADUWAPL-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000761123091 581890383 /nfs/dbraw/zinc/89/03/83/581890383.db2.gz KCVHZSXUHRNQGQ-UONOGXRCSA-N 2 2 254.374 0.554 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000761123091 581890386 /nfs/dbraw/zinc/89/03/86/581890386.db2.gz KCVHZSXUHRNQGQ-UONOGXRCSA-N 2 2 254.374 0.554 20 0 CCADLP O=C(NCc1cccnc1-n1cc[nH+]c1)C1CC[NH2+]CC1 ZINC000746306598 581909732 /nfs/dbraw/zinc/90/97/32/581909732.db2.gz NINFYJAXCAQQMF-UHFFFAOYSA-N 2 2 285.351 0.883 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000417038943 581910136 /nfs/dbraw/zinc/91/01/36/581910136.db2.gz UXASOUGOSKNPBS-AGIUHOORSA-N 2 2 284.404 0.276 20 0 CCADLP COC[C@@]1(C)CC(=O)N(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000747456285 581941677 /nfs/dbraw/zinc/94/16/77/581941677.db2.gz HZXFSBMLBTWLLW-ZFWWWQNUSA-N 2 2 283.416 0.712 20 0 CCADLP COC[C@@]1(C)CC(=O)N(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000747456285 581941678 /nfs/dbraw/zinc/94/16/78/581941678.db2.gz HZXFSBMLBTWLLW-ZFWWWQNUSA-N 2 2 283.416 0.712 20 0 CCADLP CC1CC[NH+](CC[NH2+]C2CCN(C=O)CC2)CC1 ZINC000774123113 581960766 /nfs/dbraw/zinc/96/07/66/581960766.db2.gz NZOSAAIJPUDJOT-UHFFFAOYSA-N 2 2 253.390 0.929 20 0 CCADLP COC(=O)/C(C)=C/C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000748824016 581989450 /nfs/dbraw/zinc/98/94/50/581989450.db2.gz GYIHWDYJWJDFGB-XHAHAKLZSA-N 2 2 282.384 0.760 20 0 CCADLP COC(=O)/C(C)=C/C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000748824016 581989451 /nfs/dbraw/zinc/98/94/51/581989451.db2.gz GYIHWDYJWJDFGB-XHAHAKLZSA-N 2 2 282.384 0.760 20 0 CCADLP CCOC(=O)[C@@H]1C[N@H+](CCCn2cc[nH+]c2)CCO1 ZINC000775976231 582048108 /nfs/dbraw/zinc/04/81/08/582048108.db2.gz IQECGXJRHMOGGJ-LBPRGKRZSA-N 2 2 267.329 0.537 20 0 CCADLP CCOC(=O)[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)CCO1 ZINC000775976231 582048110 /nfs/dbraw/zinc/04/81/10/582048110.db2.gz IQECGXJRHMOGGJ-LBPRGKRZSA-N 2 2 267.329 0.537 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)CC[NH+]1CCOCC1 ZINC000768325247 582105656 /nfs/dbraw/zinc/10/56/56/582105656.db2.gz UYLPRDZRXLPDLH-UHFFFAOYSA-N 2 2 280.372 0.454 20 0 CCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(F)C(F)(F)F ZINC000810440252 615895326 /nfs/dbraw/zinc/89/53/26/615895326.db2.gz RIJFWGGTZXTSRX-VIFPVBQESA-N 2 2 287.301 0.839 20 0 CCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H](F)C(F)(F)F ZINC000810440252 615895331 /nfs/dbraw/zinc/89/53/31/615895331.db2.gz RIJFWGGTZXTSRX-VIFPVBQESA-N 2 2 287.301 0.839 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC1CC(C[NH2+]Cc2cccnc2)C1 ZINC000962887362 649906741 /nfs/dbraw/zinc/90/67/41/649906741.db2.gz GTWKNQANBXJWJL-UHFFFAOYSA-N 2 2 299.378 0.963 20 0 CCADLP C[C@@H]([NH3+])CN(C)C(=O)NCCCCn1cc[nH+]c1 ZINC000861563525 617173826 /nfs/dbraw/zinc/17/38/26/617173826.db2.gz AXCXYGKEWUWCLB-LLVKDONJSA-N 2 2 253.350 0.652 20 0 CCADLP Fc1ccc(-c2nn[nH]n2)c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000822758595 607059039 /nfs/dbraw/zinc/05/90/39/607059039.db2.gz SUWJPYVZILHJNJ-PHIMTYICSA-N 2 2 288.330 0.657 20 0 CCADLP Fc1ccc(-c2nn[nH]n2)c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000822758595 607059041 /nfs/dbraw/zinc/05/90/41/607059041.db2.gz SUWJPYVZILHJNJ-PHIMTYICSA-N 2 2 288.330 0.657 20 0 CCADLP CC(C)(C)[S@@](=O)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000863551498 614044134 /nfs/dbraw/zinc/04/41/34/614044134.db2.gz GDZVMHWCIYTEMD-SGTLLEGYSA-N 2 2 276.446 0.580 20 0 CCADLP CC(C)[C@@H](CNC(=[NH2+])NC1CC1)[NH+]1CCOCC1 ZINC000848983810 614095332 /nfs/dbraw/zinc/09/53/32/614095332.db2.gz JSFJRZPAHLGNML-GFCCVEGCSA-N 2 2 254.378 0.620 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913445512 614252704 /nfs/dbraw/zinc/25/27/04/614252704.db2.gz RISYXPZLVBUWHI-LBPRGKRZSA-N 2 2 265.361 0.223 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900409221 614382355 /nfs/dbraw/zinc/38/23/55/614382355.db2.gz FKMUEDDYZFPRFX-LLVKDONJSA-N 2 2 250.346 0.799 20 0 CCADLP CC(C)[N@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900409221 614382358 /nfs/dbraw/zinc/38/23/58/614382358.db2.gz FKMUEDDYZFPRFX-LLVKDONJSA-N 2 2 250.346 0.799 20 0 CCADLP COc1cccc([C@H](O)C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000843067953 617310078 /nfs/dbraw/zinc/31/00/78/617310078.db2.gz HXLPLXOACHDDDO-GOEBONIOSA-N 2 2 294.395 0.773 20 0 CCADLP COc1cccc([C@H](O)C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000843067953 617310079 /nfs/dbraw/zinc/31/00/79/617310079.db2.gz HXLPLXOACHDDDO-GOEBONIOSA-N 2 2 294.395 0.773 20 0 CCADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000877433978 613191603 /nfs/dbraw/zinc/19/16/03/613191603.db2.gz LBSSTXHCMJMUNB-GPEQFZLPSA-N 2 2 295.427 0.625 20 0 CCADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000877433978 613191606 /nfs/dbraw/zinc/19/16/06/613191606.db2.gz LBSSTXHCMJMUNB-GPEQFZLPSA-N 2 2 295.427 0.625 20 0 CCADLP C/C=C\[C@H](O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000900445699 613214511 /nfs/dbraw/zinc/21/45/11/613214511.db2.gz JHGUEQQUTDWFQL-JZIMQPMSSA-N 2 2 295.427 0.598 20 0 CCADLP C1=C[C@@H](C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)[C@H]2CO[C@@H]1C2 ZINC000925829301 613220712 /nfs/dbraw/zinc/22/07/12/613220712.db2.gz BZTPKKHFFCHOLD-NPJQDHAYSA-N 2 2 278.396 0.934 20 0 CCADLP C(CN[C@H]1CC[NH2+]C12CCCC2)C[NH+]1CCOCC1 ZINC000903483090 613225304 /nfs/dbraw/zinc/22/53/04/613225304.db2.gz DELYWAFKKRZTSE-AWEZNQCLSA-N 2 2 267.417 0.973 20 0 CCADLP C(COC1CCOCC1)[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000925877819 613229209 /nfs/dbraw/zinc/22/92/09/613229209.db2.gz MHFQDWYJDDUXDO-HUUCEWRRSA-N 2 2 284.400 0.539 20 0 CCADLP C(CO[C@@H]1CCOC1)[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000925873526 613230924 /nfs/dbraw/zinc/23/09/24/613230924.db2.gz AWXDPSGVTAGDLY-RDBSUJKOSA-N 2 2 270.373 0.149 20 0 CCADLP C1C[C@H]([NH2+][C@H]2C[NH2+]CCOC2)C2(C1)CCOCC2 ZINC000925661772 613233710 /nfs/dbraw/zinc/23/37/10/613233710.db2.gz WMGBPKWWPDVKIA-STQMWFEESA-N 2 2 254.374 0.914 20 0 CCADLP C/C(=C/C(=O)NCC(C)(C)C[NH+](C)C)C[NH+]1CCOCC1 ZINC000900009483 613235721 /nfs/dbraw/zinc/23/57/21/613235721.db2.gz IYRIBMXPJHPFLL-UVTDQMKNSA-N 2 2 297.443 0.969 20 0 CCADLP CC(C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000960646262 613903509 /nfs/dbraw/zinc/90/35/09/613903509.db2.gz QIYWYSDAZHGDDI-CXTNEJHOSA-N 2 2 288.395 0.900 20 0 CCADLP CC(C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000960646262 613903512 /nfs/dbraw/zinc/90/35/12/613903512.db2.gz QIYWYSDAZHGDDI-CXTNEJHOSA-N 2 2 288.395 0.900 20 0 CCADLP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000904429212 613914896 /nfs/dbraw/zinc/91/48/96/613914896.db2.gz ZUMNBAGLCJIFLT-NEPJUHHUSA-N 2 2 291.461 0.750 20 0 CCADLP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000904429212 613914897 /nfs/dbraw/zinc/91/48/97/613914897.db2.gz ZUMNBAGLCJIFLT-NEPJUHHUSA-N 2 2 291.461 0.750 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000896963063 613939188 /nfs/dbraw/zinc/93/91/88/613939188.db2.gz CUGWQNOWTOOENN-KGLIPLIRSA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000896963063 613939189 /nfs/dbraw/zinc/93/91/89/613939189.db2.gz CUGWQNOWTOOENN-KGLIPLIRSA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)[NH2+]CC1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000962461042 613946014 /nfs/dbraw/zinc/94/60/14/613946014.db2.gz QESOSSMIJRAYAK-UHFFFAOYSA-N 2 2 250.346 0.845 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)NCc1c[nH+]cn1C ZINC000891988911 613949221 /nfs/dbraw/zinc/94/92/21/613949221.db2.gz YELHRNFKYAPTNT-UHFFFAOYSA-N 2 2 253.350 0.607 20 0 CCADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C[C@H]([NH3+])C(F)F ZINC000911872131 614117970 /nfs/dbraw/zinc/11/79/70/614117970.db2.gz WXCMFDRXRDNDMZ-IUCAKERBSA-N 2 2 251.321 0.801 20 0 CCADLP CC(C)C[C@H](CNC(=O)/C=C\C[NH+]1CCOCC1)[NH+](C)C ZINC000865786666 614215364 /nfs/dbraw/zinc/21/53/64/614215364.db2.gz QXFYRCKEUYVFBP-IYKSTZQJSA-N 2 2 297.443 0.967 20 0 CCADLP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154016 614251246 /nfs/dbraw/zinc/25/12/46/614251246.db2.gz QNYHDEGYWWQPBF-SGMGOOAPSA-N 2 2 253.390 0.783 20 0 CCADLP CC(C)N(C)C(=O)[C@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154016 614251247 /nfs/dbraw/zinc/25/12/47/614251247.db2.gz QNYHDEGYWWQPBF-SGMGOOAPSA-N 2 2 253.390 0.783 20 0 CCADLP CC(C)[C@H]1CN(C(=O)c2ncoc2C[NH3+])CC[N@@H+]1C ZINC000884471636 614271534 /nfs/dbraw/zinc/27/15/34/614271534.db2.gz BVOYYTCHNLLHOF-SNVBAGLBSA-N 2 2 266.345 0.546 20 0 CCADLP CC(C)[C@H]1CN(C(=O)c2ncoc2C[NH3+])CC[N@H+]1C ZINC000884471636 614271537 /nfs/dbraw/zinc/27/15/37/614271537.db2.gz BVOYYTCHNLLHOF-SNVBAGLBSA-N 2 2 266.345 0.546 20 0 CCADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1[nH]nc2c1COCC2 ZINC000903718012 614287230 /nfs/dbraw/zinc/28/72/30/614287230.db2.gz XQPCGGPCSWCEIW-ZDUSSCGKSA-N 2 2 252.362 0.945 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928550687 614326923 /nfs/dbraw/zinc/32/69/23/614326923.db2.gz HUWKEFNCWUSLRR-NSHDSACASA-N 2 2 250.346 0.827 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@H+]1C ZINC000928550687 614326925 /nfs/dbraw/zinc/32/69/25/614326925.db2.gz HUWKEFNCWUSLRR-NSHDSACASA-N 2 2 250.346 0.827 20 0 CCADLP CCC[C@H](O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932620715 614412008 /nfs/dbraw/zinc/41/20/08/614412008.db2.gz BVIIHNVYEBTCCG-OCCSQVGLSA-N 2 2 283.416 0.432 20 0 CCADLP CCC[C@H](O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932620715 614412010 /nfs/dbraw/zinc/41/20/10/614412010.db2.gz BVIIHNVYEBTCCG-OCCSQVGLSA-N 2 2 283.416 0.432 20 0 CCADLP CC1(C)CC[N@H+](CCNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000898589088 614544588 /nfs/dbraw/zinc/54/45/88/614544588.db2.gz SVANIYVOVLIPRD-GFCCVEGCSA-N 2 2 291.399 0.839 20 0 CCADLP CC1(C)CC[N@@H+](CCNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000898589088 614544594 /nfs/dbraw/zinc/54/45/94/614544594.db2.gz SVANIYVOVLIPRD-GFCCVEGCSA-N 2 2 291.399 0.839 20 0 CCADLP CCC[NH+]1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000854273331 614620077 /nfs/dbraw/zinc/62/00/77/614620077.db2.gz XCJUPSSREBVSNU-UHFFFAOYSA-N 2 2 250.346 0.943 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](C[C@H](C)O)C1 ZINC000950469933 614676892 /nfs/dbraw/zinc/67/68/92/614676892.db2.gz UJGLMHXBQIZINU-ZFWWWQNUSA-N 2 2 297.443 0.774 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](C[C@H](C)O)C1 ZINC000950469933 614676895 /nfs/dbraw/zinc/67/68/95/614676895.db2.gz UJGLMHXBQIZINU-ZFWWWQNUSA-N 2 2 297.443 0.774 20 0 CCADLP CC1(C)C[NH2+]CC[C@@H]1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876869277 614701961 /nfs/dbraw/zinc/70/19/61/614701961.db2.gz DIGMVIRYDUDNEV-SCOBNMCVSA-N 2 2 281.400 0.379 20 0 CCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccnc(-n2cncn2)c1 ZINC000925726806 614807063 /nfs/dbraw/zinc/80/70/63/614807063.db2.gz WGTJAHMPSLPLAY-LBPRGKRZSA-N 2 2 272.356 0.892 20 0 CCADLP CCN(C)C(=O)CC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931514761 614832366 /nfs/dbraw/zinc/83/23/66/614832366.db2.gz YRFUVROMQWKVNZ-UHFFFAOYSA-N 2 2 262.357 0.890 20 0 CCADLP CCN(C)C(=O)CC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931514761 614832368 /nfs/dbraw/zinc/83/23/68/614832368.db2.gz YRFUVROMQWKVNZ-UHFFFAOYSA-N 2 2 262.357 0.890 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000846867740 614849781 /nfs/dbraw/zinc/84/97/81/614849781.db2.gz JPSSZUCRCXSVGA-ZIAGYGMSSA-N 2 2 296.415 0.468 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000846867740 614849782 /nfs/dbraw/zinc/84/97/82/614849782.db2.gz JPSSZUCRCXSVGA-ZIAGYGMSSA-N 2 2 296.415 0.468 20 0 CCADLP CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000911841600 614850457 /nfs/dbraw/zinc/85/04/57/614850457.db2.gz HCNLLCIYVPWPCJ-UONOGXRCSA-N 2 2 295.427 0.698 20 0 CCADLP CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000960526311 614856963 /nfs/dbraw/zinc/85/69/63/614856963.db2.gz JTALUNYEFGGWAE-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000960526311 614856964 /nfs/dbraw/zinc/85/69/64/614856964.db2.gz JTALUNYEFGGWAE-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000960526311 614856966 /nfs/dbraw/zinc/85/69/66/614856966.db2.gz JTALUNYEFGGWAE-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000960526311 614856969 /nfs/dbraw/zinc/85/69/69/614856969.db2.gz JTALUNYEFGGWAE-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000960526290 614874482 /nfs/dbraw/zinc/87/44/82/614874482.db2.gz JTALUNYEFGGWAE-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000960526290 614874483 /nfs/dbraw/zinc/87/44/83/614874483.db2.gz JTALUNYEFGGWAE-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000960526290 614874485 /nfs/dbraw/zinc/87/44/85/614874485.db2.gz JTALUNYEFGGWAE-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000960526290 614874487 /nfs/dbraw/zinc/87/44/87/614874487.db2.gz JTALUNYEFGGWAE-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000980453506 614894811 /nfs/dbraw/zinc/89/48/11/614894811.db2.gz BHLWUUCGVQIUIM-CABCVRRESA-N 2 2 295.427 0.650 20 0 CCADLP CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000980453506 614894812 /nfs/dbraw/zinc/89/48/12/614894812.db2.gz BHLWUUCGVQIUIM-CABCVRRESA-N 2 2 295.427 0.650 20 0 CCADLP CC1([NH2+]Cc2ccc(N3CC[NH2+]CC3)o2)CC[NH2+]CC1 ZINC000904355414 614925986 /nfs/dbraw/zinc/92/59/86/614925986.db2.gz NJLTZGMJXBKVHF-UHFFFAOYSA-N 3 2 278.400 0.921 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC)C1 ZINC000969465655 615003324 /nfs/dbraw/zinc/00/33/24/615003324.db2.gz QHBWXNZZGLGSGZ-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC)C1 ZINC000969465655 615003325 /nfs/dbraw/zinc/00/33/25/615003325.db2.gz QHBWXNZZGLGSGZ-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP CC1=NO[C@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000895300471 615008228 /nfs/dbraw/zinc/00/82/28/615008228.db2.gz MRRYEWCJERRUHK-KBPBESRZSA-N 2 2 267.373 0.994 20 0 CCADLP CC[NH2+]CC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000844178115 615078991 /nfs/dbraw/zinc/07/89/91/615078991.db2.gz ZAVRLICBPDWKHM-UHFFFAOYSA-N 2 2 251.330 0.933 20 0 CCADLP CCN(C(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1C[NH+](CC)C1 ZINC000950381217 615082869 /nfs/dbraw/zinc/08/28/69/615082869.db2.gz MSNPUMYBHMENNZ-TZMCWYRMSA-N 2 2 281.400 0.402 20 0 CCADLP CCN(C(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1C[NH+](CC)C1 ZINC000950381217 615082870 /nfs/dbraw/zinc/08/28/70/615082870.db2.gz MSNPUMYBHMENNZ-TZMCWYRMSA-N 2 2 281.400 0.402 20 0 CCADLP CC[NH+]1CCC(N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000825536497 615099659 /nfs/dbraw/zinc/09/96/59/615099659.db2.gz JHYQHWZXCGZDBG-UHFFFAOYSA-N 2 2 250.346 0.895 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)CC1 ZINC000844452744 615100612 /nfs/dbraw/zinc/10/06/12/615100612.db2.gz XKSOUHLHUPTLDX-TXEJJXNPSA-N 2 2 287.354 0.784 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)CC1 ZINC000844452744 615100614 /nfs/dbraw/zinc/10/06/14/615100614.db2.gz XKSOUHLHUPTLDX-TXEJJXNPSA-N 2 2 287.354 0.784 20 0 CCADLP CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CCO1 ZINC000979453630 615109872 /nfs/dbraw/zinc/10/98/72/615109872.db2.gz YAHKCNYXQSKRJN-JSGCOSHPSA-N 2 2 294.399 0.578 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC000969069196 615118707 /nfs/dbraw/zinc/11/87/07/615118707.db2.gz NCVASEIZHVLIHT-GFCCVEGCSA-N 2 2 263.341 0.843 20 0 CCADLP CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000939536809 615124764 /nfs/dbraw/zinc/12/47/64/615124764.db2.gz XEEYLBRPHLDTSO-ZYHUDNBSSA-N 2 2 250.346 0.419 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CCCCCC[NH3+])CC1 ZINC000872155066 615150857 /nfs/dbraw/zinc/15/08/57/615150857.db2.gz BHTHBFKCVOOKFJ-OAHLLOKOSA-N 3 2 298.475 0.990 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CCCCCC[NH3+])CC1 ZINC000872155066 615150858 /nfs/dbraw/zinc/15/08/58/615150858.db2.gz BHTHBFKCVOOKFJ-OAHLLOKOSA-N 3 2 298.475 0.990 20 0 CCADLP CC[NH+]1CCN(CCNc2nc(N(C)C)cc[nH+]2)CC1 ZINC000853151584 615158537 /nfs/dbraw/zinc/15/85/37/615158537.db2.gz RXRXTLBDAKLXNI-UHFFFAOYSA-N 2 2 278.404 0.592 20 0 CCADLP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925549380 615162084 /nfs/dbraw/zinc/16/20/84/615162084.db2.gz XZBVGKOPQGYUOC-LSDHHAIUSA-N 3 2 280.460 0.887 20 0 CCADLP CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)C1C[NH+](CC(C)C)C1 ZINC000957413477 615168745 /nfs/dbraw/zinc/16/87/45/615168745.db2.gz NAFNXIXSOPBEHI-OAHLLOKOSA-N 2 2 297.443 0.896 20 0 CCADLP CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)C1C[NH+](CC(C)C)C1 ZINC000957413477 615168746 /nfs/dbraw/zinc/16/87/46/615168746.db2.gz NAFNXIXSOPBEHI-OAHLLOKOSA-N 2 2 297.443 0.896 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)OCCC[NH+]2CCCC2)C1 ZINC000805477624 615185215 /nfs/dbraw/zinc/18/52/15/615185215.db2.gz LGSZCZKOXZSAMB-ZDUSSCGKSA-N 2 2 270.373 0.736 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)OCCC[NH+]2CCCC2)C1 ZINC000805477624 615185216 /nfs/dbraw/zinc/18/52/16/615185216.db2.gz LGSZCZKOXZSAMB-ZDUSSCGKSA-N 2 2 270.373 0.736 20 0 CCADLP CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968702901 615194143 /nfs/dbraw/zinc/19/41/43/615194143.db2.gz QGKFZQZUVYPCRO-NEPJUHHUSA-N 2 2 250.346 0.730 20 0 CCADLP CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968702901 615194145 /nfs/dbraw/zinc/19/41/45/615194145.db2.gz QGKFZQZUVYPCRO-NEPJUHHUSA-N 2 2 250.346 0.730 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000890061990 615244365 /nfs/dbraw/zinc/24/43/65/615244365.db2.gz MZZJLBZQVUTPHT-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000890061990 615244367 /nfs/dbraw/zinc/24/43/67/615244367.db2.gz MZZJLBZQVUTPHT-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP CCON(C)C(=O)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000848919754 615336980 /nfs/dbraw/zinc/33/69/80/615336980.db2.gz RMWDNJAKGFWRIC-CQSZACIVSA-N 2 2 299.415 0.629 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1NCc1cc(N(C)C)cc[nH+]1 ZINC000925813705 615387966 /nfs/dbraw/zinc/38/79/66/615387966.db2.gz VTWQOCOWBHKSOO-KBPBESRZSA-N 2 2 292.383 0.531 20 0 CCADLP CCO[C@@H](CNCc1c[nH+]c(N(C)C)n1C)C[NH+](C)C ZINC000922754659 615410249 /nfs/dbraw/zinc/41/02/49/615410249.db2.gz QYUSXZBJNBYHOE-ZDUSSCGKSA-N 2 2 283.420 0.542 20 0 CCADLP CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC000978401117 615432848 /nfs/dbraw/zinc/43/28/48/615432848.db2.gz BTSWYXFYTLWITC-XDQVBPFNSA-N 2 2 288.395 0.759 20 0 CCADLP CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC000978401117 615432850 /nfs/dbraw/zinc/43/28/50/615432850.db2.gz BTSWYXFYTLWITC-XDQVBPFNSA-N 2 2 288.395 0.759 20 0 CCADLP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000960015260 615437776 /nfs/dbraw/zinc/43/77/76/615437776.db2.gz SXFOOSKHOJLOMI-VIKVFOODSA-N 2 2 288.395 0.828 20 0 CCADLP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000960015260 615437777 /nfs/dbraw/zinc/43/77/77/615437777.db2.gz SXFOOSKHOJLOMI-VIKVFOODSA-N 2 2 288.395 0.828 20 0 CCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865126822 615454522 /nfs/dbraw/zinc/45/45/22/615454522.db2.gz VYMSHFMAXMXZDN-GEXIGZQTSA-N 2 2 283.416 0.721 20 0 CCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865126822 615454524 /nfs/dbraw/zinc/45/45/24/615454524.db2.gz VYMSHFMAXMXZDN-GEXIGZQTSA-N 2 2 283.416 0.721 20 0 CCADLP CCO[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])C[NH+](C)C ZINC000925841889 615484326 /nfs/dbraw/zinc/48/43/26/615484326.db2.gz ULZPSARYCGVRDZ-REWJHTLYSA-N 3 2 273.421 0.295 20 0 CCADLP CC[C@@H](F)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963022696 615521382 /nfs/dbraw/zinc/52/13/82/615521382.db2.gz RQGFMYCZQGMXJA-NMKXLXIOSA-N 2 2 280.347 0.678 20 0 CCADLP CC[C@@H](F)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963022696 615521384 /nfs/dbraw/zinc/52/13/84/615521384.db2.gz RQGFMYCZQGMXJA-NMKXLXIOSA-N 2 2 280.347 0.678 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000877433780 615568698 /nfs/dbraw/zinc/56/86/98/615568698.db2.gz JBLNOZJHEIAUGE-BFHYXJOUSA-N 2 2 283.416 0.602 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000877433780 615568699 /nfs/dbraw/zinc/56/86/99/615568699.db2.gz JBLNOZJHEIAUGE-BFHYXJOUSA-N 2 2 283.416 0.602 20 0 CCADLP CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1)[NH+](C)C ZINC000969074909 615602593 /nfs/dbraw/zinc/60/25/93/615602593.db2.gz ZJFDPALYVLZLNL-ZYHUDNBSSA-N 2 2 297.428 0.569 20 0 CCADLP CC[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963019459 615661415 /nfs/dbraw/zinc/66/14/15/615661415.db2.gz MLNXSKUUSKNNLS-RMRHIDDWSA-N 2 2 276.384 0.976 20 0 CCADLP CC[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963019459 615661417 /nfs/dbraw/zinc/66/14/17/615661417.db2.gz MLNXSKUUSKNNLS-RMRHIDDWSA-N 2 2 276.384 0.976 20 0 CCADLP C[NH+](C)C1(CNC(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000916620418 615848766 /nfs/dbraw/zinc/84/87/66/615848766.db2.gz XQAKDEONUIBVAO-UHFFFAOYSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+](C)C1(CNC(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000916620418 615848769 /nfs/dbraw/zinc/84/87/69/615848769.db2.gz XQAKDEONUIBVAO-UHFFFAOYSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+](C)C1CC[NH+](C[C@@H]2C[C@H]3COC[C@@H]3O2)CC1 ZINC000929265129 615856605 /nfs/dbraw/zinc/85/66/05/615856605.db2.gz YDZOEGKNZMFWKD-UBHSHLNASA-N 2 2 254.374 0.816 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(Cl)no1 ZINC000824438152 615879199 /nfs/dbraw/zinc/87/91/99/615879199.db2.gz JZMGSLRNLSDCIV-UHFFFAOYSA-N 2 2 288.779 0.941 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(Cl)no1 ZINC000824438152 615879200 /nfs/dbraw/zinc/87/92/00/615879200.db2.gz JZMGSLRNLSDCIV-UHFFFAOYSA-N 2 2 288.779 0.941 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NOC/C=C\Cl ZINC000854085944 615879378 /nfs/dbraw/zinc/87/93/78/615879378.db2.gz NBJDDZUGZAFARV-XQRVVYSFSA-N 2 2 292.811 0.853 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NOC/C=C\Cl ZINC000854085944 615879381 /nfs/dbraw/zinc/87/93/81/615879381.db2.gz NBJDDZUGZAFARV-XQRVVYSFSA-N 2 2 292.811 0.853 20 0 CCADLP Cn1cccc1CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000853807893 615879540 /nfs/dbraw/zinc/87/95/40/615879540.db2.gz COYAYGJPTHYUDV-UHFFFAOYSA-N 2 2 295.431 0.708 20 0 CCADLP Cn1cccc1CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000853807893 615879542 /nfs/dbraw/zinc/87/95/42/615879542.db2.gz COYAYGJPTHYUDV-UHFFFAOYSA-N 2 2 295.431 0.708 20 0 CCADLP C[NH+](C)CCCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000895469450 615881939 /nfs/dbraw/zinc/88/19/39/615881939.db2.gz GEPMQAGKIWQKKY-CYBMUJFWSA-N 2 2 279.388 0.858 20 0 CCADLP C[NH+](C)CCCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000895469450 615881942 /nfs/dbraw/zinc/88/19/42/615881942.db2.gz GEPMQAGKIWQKKY-CYBMUJFWSA-N 2 2 279.388 0.858 20 0 CCADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Cc1c[nH+]c[nH]1 ZINC000900586900 615896290 /nfs/dbraw/zinc/89/62/90/615896290.db2.gz SKYYVSNDJJKYDO-CYBMUJFWSA-N 2 2 280.372 0.521 20 0 CCADLP CC[C@H]1CN(C(=O)NC[C@H]2CC[NH+]2C)CC[N@@H+]1CCOC ZINC000925406365 615899813 /nfs/dbraw/zinc/89/98/13/615899813.db2.gz MNOFBPAZQWBYOK-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@H]1CN(C(=O)NC[C@H]2CC[NH+]2C)CC[N@H+]1CCOC ZINC000925406365 615899815 /nfs/dbraw/zinc/89/98/15/615899815.db2.gz MNOFBPAZQWBYOK-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@H]1CN(C(=O)NC[C@H]2CC[N@@H+]2C)CC[NH+]1CCOC ZINC000925406365 615899817 /nfs/dbraw/zinc/89/98/17/615899817.db2.gz MNOFBPAZQWBYOK-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C)CC[NH+]1CCOC ZINC000925406365 615899820 /nfs/dbraw/zinc/89/98/20/615899820.db2.gz MNOFBPAZQWBYOK-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP C[NH+](C)CCNC(=S)NCCCCn1cc[nH+]c1 ZINC000918164297 615903447 /nfs/dbraw/zinc/90/34/47/615903447.db2.gz QUNIOAHFJLVOCG-UHFFFAOYSA-N 2 2 269.418 0.689 20 0 CCADLP C[NH+](C)CCc1cn(Cc2[nH+]ccn2CC(F)F)nn1 ZINC000881362747 615914689 /nfs/dbraw/zinc/91/46/89/615914689.db2.gz VYQKDMYDXHYEPV-UHFFFAOYSA-N 2 2 284.314 0.892 20 0 CCADLP CC[C@@H](C(=O)NCC1CC[NH2+]CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000911671975 615917099 /nfs/dbraw/zinc/91/70/99/615917099.db2.gz HHGNMUILURVDQI-GJZGRUSLSA-N 2 2 297.443 0.992 20 0 CCADLP CC[C@@H](C(=O)NCC1CC[NH2+]CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000911671975 615917102 /nfs/dbraw/zinc/91/71/02/615917102.db2.gz HHGNMUILURVDQI-GJZGRUSLSA-N 2 2 297.443 0.992 20 0 CCADLP CC[C@@H](C(=O)NCC(C)(C)[NH3+])[N@@H+]1CCO[C@@H](CC)C1 ZINC000911847571 615917217 /nfs/dbraw/zinc/91/72/17/615917217.db2.gz ZNTIZWRWTPANBX-RYUDHWBXSA-N 2 2 271.405 0.729 20 0 CCADLP CC[C@@H](C(=O)NCC(C)(C)[NH3+])[N@H+]1CCO[C@@H](CC)C1 ZINC000911847571 615917218 /nfs/dbraw/zinc/91/72/18/615917218.db2.gz ZNTIZWRWTPANBX-RYUDHWBXSA-N 2 2 271.405 0.729 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)CC1([NH3+])CC1 ZINC000877434144 615922860 /nfs/dbraw/zinc/92/28/60/615922860.db2.gz NUANXXPASCHASI-NSHDSACASA-N 2 2 255.362 0.095 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)CC1([NH3+])CC1 ZINC000877434144 615922864 /nfs/dbraw/zinc/92/28/64/615922864.db2.gz NUANXXPASCHASI-NSHDSACASA-N 2 2 255.362 0.095 20 0 CCADLP CN(C)C(=O)c1cccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)c1 ZINC000921931046 615936307 /nfs/dbraw/zinc/93/63/07/615936307.db2.gz ZWJBGTPMEAUMHA-INIZCTEOSA-N 2 2 293.411 0.791 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000875344487 615977889 /nfs/dbraw/zinc/97/78/89/615977889.db2.gz ANOIOGRYWUGZRF-FRRDWIJNSA-N 2 2 291.399 0.980 20 0 CCADLP C[NH+](C)[C@@H]1C[C@H](NC(=O)/C=C\C[NH+]2CCOCC2)C1(C)C ZINC000824095438 615985805 /nfs/dbraw/zinc/98/58/05/615985805.db2.gz RUQUEMAMHAWTOF-MEWZEZIVSA-N 2 2 295.427 0.720 20 0 CCADLP CCn1cc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)nn1 ZINC000892535260 615997579 /nfs/dbraw/zinc/99/75/79/615997579.db2.gz IBRWFBSQWBQEMS-HNNXBMFYSA-N 2 2 294.447 0.660 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCCNC(=O)C(F)(F)F)C[C@H]21 ZINC000931279018 615998495 /nfs/dbraw/zinc/99/84/95/615998495.db2.gz VJNYZVNGWKWKDW-MYJAWHEDSA-N 2 2 279.306 0.547 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCCNC(=O)C(F)(F)F)C[C@H]21 ZINC000931279018 615998498 /nfs/dbraw/zinc/99/84/98/615998498.db2.gz VJNYZVNGWKWKDW-MYJAWHEDSA-N 2 2 279.306 0.547 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H](O)C[C@@](C)(O)C3CC3)C[C@H]21 ZINC000931278490 615998575 /nfs/dbraw/zinc/99/85/75/615998575.db2.gz YFWWACMYCOPPEO-NIFZNCRKSA-N 2 2 268.401 0.390 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H](O)C[C@@](C)(O)C3CC3)C[C@H]21 ZINC000931278490 615998578 /nfs/dbraw/zinc/99/85/78/615998578.db2.gz YFWWACMYCOPPEO-NIFZNCRKSA-N 2 2 268.401 0.390 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876878232 616088868 /nfs/dbraw/zinc/08/88/68/616088868.db2.gz VXXINVNGUKYJSQ-ZRUQZJFASA-N 2 2 281.400 0.333 20 0 CCADLP C[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C[C@@H]1CCCO1 ZINC000903879494 616098391 /nfs/dbraw/zinc/09/83/91/616098391.db2.gz CAGXEGRZAUQQAJ-JSGCOSHPSA-N 2 2 279.388 0.813 20 0 CCADLP C[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C[C@@H]1CCCO1 ZINC000903879494 616098392 /nfs/dbraw/zinc/09/83/92/616098392.db2.gz CAGXEGRZAUQQAJ-JSGCOSHPSA-N 2 2 279.388 0.813 20 0 CCADLP CN(CC[N@H+](C)CCO)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000825527946 616101380 /nfs/dbraw/zinc/10/13/80/616101380.db2.gz VERSXEGVAYYISB-UHFFFAOYSA-N 2 2 276.340 0.559 20 0 CCADLP CN(CC[N@@H+](C)CCO)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000825527946 616101381 /nfs/dbraw/zinc/10/13/81/616101381.db2.gz VERSXEGVAYYISB-UHFFFAOYSA-N 2 2 276.340 0.559 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1COC(C)(C)O1)C1CC1 ZINC000819154795 616149849 /nfs/dbraw/zinc/14/98/49/616149849.db2.gz MENRIIFTLWHEBI-VXGBXAGGSA-N 2 2 258.362 0.183 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1COC(C)(C)O1)C1CC1 ZINC000819154795 616149850 /nfs/dbraw/zinc/14/98/50/616149850.db2.gz MENRIIFTLWHEBI-VXGBXAGGSA-N 2 2 258.362 0.183 20 0 CCADLP C[NH+]1CCC(C(=O)N2CCC[N@H+](CCF)CC2)CC1 ZINC000981872457 616166370 /nfs/dbraw/zinc/16/63/70/616166370.db2.gz MTQJSINIEWGIJR-UHFFFAOYSA-N 2 2 271.380 0.832 20 0 CCADLP C[NH+]1CCC(C(=O)N2CCC[N@@H+](CCF)CC2)CC1 ZINC000981872457 616166371 /nfs/dbraw/zinc/16/63/71/616166371.db2.gz MTQJSINIEWGIJR-UHFFFAOYSA-N 2 2 271.380 0.832 20 0 CCADLP C[NH+]1CCC(CNC(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000865094687 616169787 /nfs/dbraw/zinc/16/97/87/616169787.db2.gz GLEYNPYQZYIVIA-IHWYPQMZSA-N 2 2 281.400 0.333 20 0 CCADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C2OCCO2)CC1 ZINC000933896624 616173012 /nfs/dbraw/zinc/17/30/12/616173012.db2.gz OSOJRAUWQCPYGA-CYBMUJFWSA-N 2 2 297.399 0.034 20 0 CCADLP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C2OCCO2)CC1 ZINC000933896624 616173013 /nfs/dbraw/zinc/17/30/13/616173013.db2.gz OSOJRAUWQCPYGA-CYBMUJFWSA-N 2 2 297.399 0.034 20 0 CCADLP Cn1nnnc1CC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000878339464 616177980 /nfs/dbraw/zinc/17/79/80/616177980.db2.gz MSDSJQZGFSXFOL-UHFFFAOYSA-N 2 2 264.377 0.313 20 0 CCADLP Cn1nnnc1CC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000878339464 616177981 /nfs/dbraw/zinc/17/79/81/616177981.db2.gz MSDSJQZGFSXFOL-UHFFFAOYSA-N 2 2 264.377 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C[N@H+]1CC[C@H]2C[NH+](CCn3ccccc3=O)CC[C@@H]21 ZINC000879574246 616444867 /nfs/dbraw/zinc/44/48/67/616444867.db2.gz YCQHBIAUHJESCW-KBPBESRZSA-N 2 2 261.369 0.874 20 0 CCADLP C[NH+]1CC[C@H]2C[N@H+](CCn3ccccc3=O)CC[C@@H]21 ZINC000879574246 616444871 /nfs/dbraw/zinc/44/48/71/616444871.db2.gz YCQHBIAUHJESCW-KBPBESRZSA-N 2 2 261.369 0.874 20 0 CCADLP C[NH+]1CC[C@H]2C[N@@H+](CCn3ccccc3=O)CC[C@@H]21 ZINC000879574246 616444874 /nfs/dbraw/zinc/44/48/74/616444874.db2.gz YCQHBIAUHJESCW-KBPBESRZSA-N 2 2 261.369 0.874 20 0 CCADLP COC1(OC)CC[N@H+](CCc2c[nH+]cn2C)C[C@@H]1O ZINC000931637318 616469557 /nfs/dbraw/zinc/46/95/57/616469557.db2.gz ILHJRZRLFYKBMO-LBPRGKRZSA-N 2 2 269.345 0.018 20 0 CCADLP COC1(OC)CC[N@@H+](CCc2c[nH+]cn2C)C[C@@H]1O ZINC000931637318 616469558 /nfs/dbraw/zinc/46/95/58/616469558.db2.gz ILHJRZRLFYKBMO-LBPRGKRZSA-N 2 2 269.345 0.018 20 0 CCADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000900753981 616472877 /nfs/dbraw/zinc/47/28/77/616472877.db2.gz HAZWVQAZVGDEJN-DOMZBBRYSA-N 2 2 292.383 0.455 20 0 CCADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000900753981 616472882 /nfs/dbraw/zinc/47/28/82/616472882.db2.gz HAZWVQAZVGDEJN-DOMZBBRYSA-N 2 2 292.383 0.455 20 0 CCADLP COC(=O)[C@@H]1[C@H](C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)C1(F)F ZINC000894020332 616510250 /nfs/dbraw/zinc/51/02/50/616510250.db2.gz IXCJRXHGAZONLE-DCAQKATOSA-N 2 2 276.327 0.924 20 0 CCADLP COC(=O)[C@@H]1[C@H](C[N@H+]2CC[C@@H](C[NH+](C)C)C2)C1(F)F ZINC000894020332 616510252 /nfs/dbraw/zinc/51/02/52/616510252.db2.gz IXCJRXHGAZONLE-DCAQKATOSA-N 2 2 276.327 0.924 20 0 CCADLP CNC(=O)C1([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)CCCC1 ZINC000851843350 616549887 /nfs/dbraw/zinc/54/98/87/616549887.db2.gz ATLXQPQTFRZCBT-GFCCVEGCSA-N 2 2 271.405 0.336 20 0 CCADLP CNC(=O)C1([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)CCCC1 ZINC000851843350 616549888 /nfs/dbraw/zinc/54/98/88/616549888.db2.gz ATLXQPQTFRZCBT-GFCCVEGCSA-N 2 2 271.405 0.336 20 0 CCADLP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880133835 616584455 /nfs/dbraw/zinc/58/44/55/616584455.db2.gz QRUDUECDEFWODN-CHWSQXEVSA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880133835 616584458 /nfs/dbraw/zinc/58/44/58/616584458.db2.gz QRUDUECDEFWODN-CHWSQXEVSA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)CN(C)C(=O)CC[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880133835 616584459 /nfs/dbraw/zinc/58/44/59/616584459.db2.gz QRUDUECDEFWODN-CHWSQXEVSA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)CN(C)C(=O)CC[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880133835 616584461 /nfs/dbraw/zinc/58/44/61/616584461.db2.gz QRUDUECDEFWODN-CHWSQXEVSA-N 2 2 297.399 0.176 20 0 CCADLP COCC(COC)[NH+]1CCN(c2nc(N)cc(C)[nH+]2)CC1 ZINC000894181507 616727758 /nfs/dbraw/zinc/72/77/58/616727758.db2.gz MTXQCXWBFTVWKZ-UHFFFAOYSA-N 2 2 295.387 0.151 20 0 CCADLP COC[C@H](O)CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925659684 616732827 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CCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892550506 623519018 /nfs/dbraw/zinc/51/90/18/623519018.db2.gz LVMKNWQOEYPANM-IGQOVBAYSA-N 2 2 296.415 0.228 20 0 CCADLP CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001026927649 625662686 /nfs/dbraw/zinc/66/26/86/625662686.db2.gz SPDSRXVTZRLBJD-CHWSQXEVSA-N 2 2 276.384 0.904 20 0 CCADLP CCC[NH2+][C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001019800757 623911204 /nfs/dbraw/zinc/91/12/04/623911204.db2.gz WMPLTOJLEIYJHH-LSDHHAIUSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001020603650 624547874 /nfs/dbraw/zinc/54/78/74/624547874.db2.gz KPRYKTYGBSIEKB-SYLRKERUSA-N 2 2 292.383 0.141 20 0 CCADLP Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)on1 ZINC001020635390 624555648 /nfs/dbraw/zinc/55/56/48/624555648.db2.gz UVOAYQNKTMVKRF-XYPYZODXSA-N 2 2 289.339 0.686 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1)[C@H]1CCCC[NH2+]1 ZINC000902503894 634394089 /nfs/dbraw/zinc/39/40/89/634394089.db2.gz YOWQEDHTYDUHMB-JHJVBQTASA-N 2 2 291.399 0.881 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]([NH2+]Cc2ccccn2)C1 ZINC001020818978 624606483 /nfs/dbraw/zinc/60/64/83/624606483.db2.gz MOAHCYFLILJUOZ-JOCQHMNTSA-N 2 2 285.351 0.784 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCO ZINC001021420981 624726730 /nfs/dbraw/zinc/72/67/30/624726730.db2.gz AHHUAHDXDFHOTC-YHWZYXNKSA-N 2 2 292.383 0.446 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCO ZINC001021420981 624726733 /nfs/dbraw/zinc/72/67/33/624726733.db2.gz AHHUAHDXDFHOTC-YHWZYXNKSA-N 2 2 292.383 0.446 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000970857608 624771901 /nfs/dbraw/zinc/77/19/01/624771901.db2.gz DYWJSKMSNQSSJB-CQSZACIVSA-N 2 2 285.351 0.669 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]2C[N@H+](CCO)CC[C@@H]21 ZINC001021753733 624820263 /nfs/dbraw/zinc/82/02/63/624820263.db2.gz IFSXFWUEGAWDRB-KBPBESRZSA-N 2 2 292.383 0.188 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]2C[N@@H+](CCO)CC[C@@H]21 ZINC001021753733 624820264 /nfs/dbraw/zinc/82/02/64/624820264.db2.gz IFSXFWUEGAWDRB-KBPBESRZSA-N 2 2 292.383 0.188 20 0 CCADLP O=C(NCCCNc1cccc[nH+]1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891363400 624833369 /nfs/dbraw/zinc/83/33/69/624833369.db2.gz HJMGHYJNYJPDGZ-RYUDHWBXSA-N 2 2 275.356 0.639 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)c[nH+]1 ZINC001022265372 624904911 /nfs/dbraw/zinc/90/49/11/624904911.db2.gz QDQTXHYCRDICKR-TXEJJXNPSA-N 2 2 280.372 0.156 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001022309277 624921020 /nfs/dbraw/zinc/92/10/20/624921020.db2.gz AQVOEQVGPMVVJM-QNWHQSFQSA-N 2 2 292.383 0.063 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001022309279 624921090 /nfs/dbraw/zinc/92/10/90/624921090.db2.gz AQVOEQVGPMVVJM-ZDEQEGDKSA-N 2 2 292.383 0.063 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001022311751 624921588 /nfs/dbraw/zinc/92/15/88/624921588.db2.gz XDJNDHQTSFQSBE-XQHKEYJVSA-N 2 2 292.383 0.063 20 0 CCADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891817726 624936379 /nfs/dbraw/zinc/93/63/79/624936379.db2.gz BHHYQBCLTQJQJC-LALPHHSUSA-N 2 2 289.383 0.782 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933749421 624936581 /nfs/dbraw/zinc/93/65/81/624936581.db2.gz MNAMAOKQUSTNSL-JSGCOSHPSA-N 2 2 262.357 0.779 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933749421 624936588 /nfs/dbraw/zinc/93/65/88/624936588.db2.gz MNAMAOKQUSTNSL-JSGCOSHPSA-N 2 2 262.357 0.779 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](C[NH2+]Cc2ccccn2)C1 ZINC001027091185 625726838 /nfs/dbraw/zinc/72/68/38/625726838.db2.gz GHDWYTGRZICLBS-CYBMUJFWSA-N 2 2 299.378 0.986 20 0 CCADLP C[C@@H]1COC[C@H]1[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000903396997 634556282 /nfs/dbraw/zinc/55/62/82/634556282.db2.gz VDJFBSIQTZGAKY-GDBMZVCRSA-N 2 2 297.443 0.408 20 0 CCADLP Cc1cn2c(nc(C[N@H+](C)CCC[NH3+])cc2=O)s1 ZINC000903425200 634559308 /nfs/dbraw/zinc/55/93/08/634559308.db2.gz WYYZMKPKQOTRFY-UHFFFAOYSA-N 2 2 266.370 0.845 20 0 CCADLP Cc1cn2c(nc(C[N@@H+](C)CCC[NH3+])cc2=O)s1 ZINC000903425200 634559318 /nfs/dbraw/zinc/55/93/18/634559318.db2.gz WYYZMKPKQOTRFY-UHFFFAOYSA-N 2 2 266.370 0.845 20 0 CCADLP c1cnn(CC[N@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1 ZINC000903508572 634591948 /nfs/dbraw/zinc/59/19/48/634591948.db2.gz MEQOQBJUFRYMRO-IYBDPMFKSA-N 2 2 289.427 0.784 20 0 CCADLP c1cnn(CC[N@@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1 ZINC000903508572 634591955 /nfs/dbraw/zinc/59/19/55/634591955.db2.gz MEQOQBJUFRYMRO-IYBDPMFKSA-N 2 2 289.427 0.784 20 0 CCADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@@H+]2CCCN1CCOCC1 ZINC000903856104 634668836 /nfs/dbraw/zinc/66/88/36/634668836.db2.gz PXNRIWKCLHQANT-KGLIPLIRSA-N 2 2 253.390 0.522 20 0 CCADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CCCN1CCOCC1 ZINC000903856104 634668839 /nfs/dbraw/zinc/66/88/39/634668839.db2.gz PXNRIWKCLHQANT-KGLIPLIRSA-N 2 2 253.390 0.522 20 0 CCADLP [NH3+]C[C@@]12CC[C@@H]1CCN2CCC[NH+]1CCOCC1 ZINC000903856104 634668843 /nfs/dbraw/zinc/66/88/43/634668843.db2.gz PXNRIWKCLHQANT-KGLIPLIRSA-N 2 2 253.390 0.522 20 0 CCADLP O[C@@H](Cn1cccn1)C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903865203 634670590 /nfs/dbraw/zinc/67/05/90/634670590.db2.gz BFZGFLCEUCBCID-CHWSQXEVSA-N 2 2 250.346 0.072 20 0 CCADLP O[C@@H](Cn1cccn1)C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903865203 634670598 /nfs/dbraw/zinc/67/05/98/634670598.db2.gz BFZGFLCEUCBCID-CHWSQXEVSA-N 2 2 250.346 0.072 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cnn1C ZINC000903919997 634686688 /nfs/dbraw/zinc/68/66/88/634686688.db2.gz QYIQYZLPZIWUDO-KYOSRNDESA-N 3 2 279.432 0.434 20 0 CCADLP [NH3+][C@H](C[NH2+][C@H]1CCN(C2CCC2)C1=O)CC(F)F ZINC000903935135 634693896 /nfs/dbraw/zinc/69/38/96/634693896.db2.gz NYSUODDGYVDEEN-WPRPVWTQSA-N 2 2 261.316 0.712 20 0 CCADLP C[C@@]1(C[NH+]2CCN(c3cnccn3)CC2)CCC[NH2+]C1 ZINC000904310205 634725672 /nfs/dbraw/zinc/72/56/72/634725672.db2.gz XZZOVBKVGODEMH-OAHLLOKOSA-N 2 2 275.400 0.988 20 0 CCADLP C[C@@]1(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)CCC[NH2+]C1 ZINC000904335557 634728936 /nfs/dbraw/zinc/72/89/36/634728936.db2.gz FZGCCHHTPWDRKM-TZMCWYRMSA-N 2 2 251.374 0.683 20 0 CCADLP C[C@@]1(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)CCC[NH2+]C1 ZINC000904335557 634728943 /nfs/dbraw/zinc/72/89/43/634728943.db2.gz FZGCCHHTPWDRKM-TZMCWYRMSA-N 2 2 251.374 0.683 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(N2CC[NH2+]CC2)o1 ZINC000904355702 634734943 /nfs/dbraw/zinc/73/49/43/634734943.db2.gz WORSNDGLLKALIP-MNOVXSKESA-N 3 2 252.362 0.515 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH2+]CC3)o2)CCCO1 ZINC000904370554 634735786 /nfs/dbraw/zinc/73/57/86/634735786.db2.gz AQMKOHRCBJEBOY-CQSZACIVSA-N 3 2 294.399 0.239 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)o2)CCCO1 ZINC000904370554 634735789 /nfs/dbraw/zinc/73/57/89/634735789.db2.gz AQMKOHRCBJEBOY-CQSZACIVSA-N 3 2 294.399 0.239 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(N3CC[NH2+]CC3)o2)CCCO1 ZINC000904370553 634735966 /nfs/dbraw/zinc/73/59/66/634735966.db2.gz AQMKOHRCBJEBOY-AWEZNQCLSA-N 3 2 294.399 0.239 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH2+]CC3)o2)CCCO1 ZINC000904370553 634735968 /nfs/dbraw/zinc/73/59/68/634735968.db2.gz AQMKOHRCBJEBOY-AWEZNQCLSA-N 3 2 294.399 0.239 20 0 CCADLP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C[C@H]([NH3+])CC(F)F)CC2 ZINC000904393352 634738845 /nfs/dbraw/zinc/73/88/45/634738845.db2.gz QVRZNRLUMVXYKQ-MNOVXSKESA-N 3 2 277.359 0.799 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000925803237 631262318 /nfs/dbraw/zinc/26/23/18/631262318.db2.gz OECAUOVBMLNNET-NGFQHRJXSA-N 3 2 267.417 0.589 20 0 CCADLP Cn1nccc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010370572 631353634 /nfs/dbraw/zinc/35/36/34/631353634.db2.gz YEBUNMVQMHYRHC-TZMCWYRMSA-N 2 2 291.399 0.205 20 0 CCADLP Cn1nccc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010370572 631353637 /nfs/dbraw/zinc/35/36/37/631353637.db2.gz YEBUNMVQMHYRHC-TZMCWYRMSA-N 2 2 291.399 0.205 20 0 CCADLP Cn1nccc1C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001010370572 631353641 /nfs/dbraw/zinc/35/36/41/631353641.db2.gz YEBUNMVQMHYRHC-TZMCWYRMSA-N 2 2 291.399 0.205 20 0 CCADLP Cn1nccc1C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001010370572 631353645 /nfs/dbraw/zinc/35/36/45/631353645.db2.gz YEBUNMVQMHYRHC-TZMCWYRMSA-N 2 2 291.399 0.205 20 0 CCADLP Cn1nccc1[C@@H](O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925889898 631435856 /nfs/dbraw/zinc/43/58/56/631435856.db2.gz MNRYNVXQGDZNHY-STQMWFEESA-N 2 2 264.373 0.718 20 0 CCADLP C[C@@H]1C[C@@H]([NH+](C)CCc2nnnn2C)CC[N@@H+]1C ZINC000878164057 631597861 /nfs/dbraw/zinc/59/78/61/631597861.db2.gz ZXMBBPNVMOKSIV-MNOVXSKESA-N 2 2 252.366 0.167 20 0 CCADLP C[C@@H]1C[C@@H]([NH+](C)CCc2nnnn2C)CC[N@H+]1C ZINC000878164057 631597867 /nfs/dbraw/zinc/59/78/67/631597867.db2.gz ZXMBBPNVMOKSIV-MNOVXSKESA-N 2 2 252.366 0.167 20 0 CCADLP C[C@@H]1C[C@@H]([N@H+](C)CCc2nnnn2C)CC[NH+]1C ZINC000878164057 631597873 /nfs/dbraw/zinc/59/78/73/631597873.db2.gz ZXMBBPNVMOKSIV-MNOVXSKESA-N 2 2 252.366 0.167 20 0 CCADLP C[C@@H]1C[C@@H]([N@@H+](C)CCc2nnnn2C)CC[NH+]1C ZINC000878164057 631597880 /nfs/dbraw/zinc/59/78/80/631597880.db2.gz ZXMBBPNVMOKSIV-MNOVXSKESA-N 2 2 252.366 0.167 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@@H]([NH2+]CCF)C1 ZINC000968877375 650033057 /nfs/dbraw/zinc/03/30/57/650033057.db2.gz PHBCEHMIAJKBOA-LLVKDONJSA-N 2 2 254.309 0.502 20 0 CCADLP C[C@H](CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)[NH+](C)C ZINC000895681599 632132715 /nfs/dbraw/zinc/13/27/15/632132715.db2.gz RXPMKGWEKDQMAI-ZWNOBZJWSA-N 2 2 279.388 0.856 20 0 CCADLP C[C@H](CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)[NH+](C)C ZINC000895681599 632132722 /nfs/dbraw/zinc/13/27/22/632132722.db2.gz RXPMKGWEKDQMAI-ZWNOBZJWSA-N 2 2 279.388 0.856 20 0 CCADLP Cc1[nH]c(CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)[nH+]c1C ZINC000896906826 632358022 /nfs/dbraw/zinc/35/80/22/632358022.db2.gz DTKZPKSVCFBVNS-LBPRGKRZSA-N 2 2 278.356 0.363 20 0 CCADLP C[N@H+](CCF)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000985718400 632626012 /nfs/dbraw/zinc/62/60/12/632626012.db2.gz QHGUGJAOUCMBBQ-UHFFFAOYSA-N 2 2 268.336 0.845 20 0 CCADLP C[N@@H+](CCF)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000985718400 632626017 /nfs/dbraw/zinc/62/60/17/632626017.db2.gz QHGUGJAOUCMBBQ-UHFFFAOYSA-N 2 2 268.336 0.845 20 0 CCADLP C[C@H]1[C@H]([NH2+]CCO)CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000986429059 632755197 /nfs/dbraw/zinc/75/51/97/632755197.db2.gz XMWWLYDDECZYDC-CMPLNLGQSA-N 2 2 288.351 0.748 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+])[NH+]1CCOCC1 ZINC000263037139 632797236 /nfs/dbraw/zinc/79/72/36/632797236.db2.gz SMICZTRPQSHUGS-IPYPFGDCSA-N 2 2 283.416 0.731 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@@](C)(O)CC[NH+](C)C)c[nH+]1 ZINC000897439843 632990503 /nfs/dbraw/zinc/99/05/03/632990503.db2.gz HQRJUHKJAWLPRA-HNNXBMFYSA-N 2 2 296.415 0.746 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@@H](CO)C[NH+]2CCCC2)c[nH+]1 ZINC000897766596 633237909 /nfs/dbraw/zinc/23/79/09/633237909.db2.gz QEWIXQBWNZBUQO-CYBMUJFWSA-N 2 2 294.399 0.500 20 0 CCADLP CC(C)[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC000989679975 633344227 /nfs/dbraw/zinc/34/42/27/633344227.db2.gz OLHXVOWZESXRLP-RYUDHWBXSA-N 2 2 264.373 0.950 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@@H]2[NH+](CCF)CC3)C1 ZINC000990121631 633449061 /nfs/dbraw/zinc/44/90/61/633449061.db2.gz QZKNYJLMZZGVPN-YDHLFZDLSA-N 2 2 299.390 0.400 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@@H]2[NH+](CCF)CC3)C1 ZINC000990121631 633449064 /nfs/dbraw/zinc/44/90/64/633449064.db2.gz QZKNYJLMZZGVPN-YDHLFZDLSA-N 2 2 299.390 0.400 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@@H]2[N@H+](CCF)CC3)C1 ZINC000990121631 633449068 /nfs/dbraw/zinc/44/90/68/633449068.db2.gz QZKNYJLMZZGVPN-YDHLFZDLSA-N 2 2 299.390 0.400 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@@H]2[N@@H+](CCF)CC3)C1 ZINC000990121631 633449071 /nfs/dbraw/zinc/44/90/71/633449071.db2.gz QZKNYJLMZZGVPN-YDHLFZDLSA-N 2 2 299.390 0.400 20 0 CCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC([NH+]2CCCC2)C1 ZINC000898602083 633631085 /nfs/dbraw/zinc/63/10/85/633631085.db2.gz WFIQFRKXPJAVKF-GFCCVEGCSA-N 2 2 274.368 0.752 20 0 CCADLP OC1CC[NH+](Cc2cn(CC[NH+]3CCCC3)nn2)CC1 ZINC000899729983 633876871 /nfs/dbraw/zinc/87/68/71/633876871.db2.gz FZEOSDGTGDOJSR-UHFFFAOYSA-N 2 2 279.388 0.331 20 0 CCADLP c1c(CC[NH+]2CCOCC2)nnn1C[C@@H]1CCCC[NH2+]C1 ZINC000899740066 633884330 /nfs/dbraw/zinc/88/43/30/633884330.db2.gz CSZZAKZCQISGMU-CQSZACIVSA-N 2 2 293.415 0.543 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCCN2CC[NH+](C)CC2)c[nH+]1 ZINC000900043509 633942389 /nfs/dbraw/zinc/94/23/89/633942389.db2.gz OFLBSDHLDPZCHB-UHFFFAOYSA-N 2 2 293.415 0.290 20 0 CCADLP O=C(CNc1cccc[nH+]1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000900441730 634021372 /nfs/dbraw/zinc/02/13/72/634021372.db2.gz NGBRQMMFXJAFJC-QWHCGFSZSA-N 2 2 290.367 0.473 20 0 CCADLP O=C(CNc1cccc[nH+]1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000900441730 634021377 /nfs/dbraw/zinc/02/13/77/634021377.db2.gz NGBRQMMFXJAFJC-QWHCGFSZSA-N 2 2 290.367 0.473 20 0 CCADLP O=C(N1CCC[C@H]1C[NH+]1CCOCC1)C12CC[NH+](CC1)C2 ZINC000900866283 634118877 /nfs/dbraw/zinc/11/88/77/634118877.db2.gz LGGDPPDAEYPMCP-AWEZNQCLSA-N 2 2 293.411 0.405 20 0 CCADLP Cc1[nH]c(CNC(=O)c2ccn(CC[NH+](C)C)n2)[nH+]c1C ZINC000901000659 634149348 /nfs/dbraw/zinc/14/93/48/634149348.db2.gz OVQWHQRWJKLWHR-UHFFFAOYSA-N 2 2 290.371 0.715 20 0 CCADLP CO[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001009707616 650155741 /nfs/dbraw/zinc/15/57/41/650155741.db2.gz LISLDWAAFITNFP-OLZOCXBDSA-N 2 2 280.372 0.499 20 0 CCADLP CO[C@H](C)C[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001009707616 650155744 /nfs/dbraw/zinc/15/57/44/650155744.db2.gz LISLDWAAFITNFP-OLZOCXBDSA-N 2 2 280.372 0.499 20 0 CCADLP COC[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001009714728 650156459 /nfs/dbraw/zinc/15/64/59/650156459.db2.gz GCSWOGIOZKNKIH-CHWSQXEVSA-N 2 2 280.372 0.499 20 0 CCADLP COC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001009714728 650156460 /nfs/dbraw/zinc/15/64/60/650156460.db2.gz GCSWOGIOZKNKIH-CHWSQXEVSA-N 2 2 280.372 0.499 20 0 CCADLP Nc1ccc(Cn2cc(C3CC[NH2+]CC3)nn2)c[nH+]1 ZINC000905817807 634911674 /nfs/dbraw/zinc/91/16/74/634911674.db2.gz UTNUMHUFSYMYPE-UHFFFAOYSA-N 2 2 258.329 0.771 20 0 CCADLP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CNc1cccc[nH+]1 ZINC000910930659 635854571 /nfs/dbraw/zinc/85/45/71/635854571.db2.gz LLBGNMLKALRHGR-STQMWFEESA-N 2 2 292.383 0.407 20 0 CCADLP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CNc1cccc[nH+]1 ZINC000910930659 635854574 /nfs/dbraw/zinc/85/45/74/635854574.db2.gz LLBGNMLKALRHGR-STQMWFEESA-N 2 2 292.383 0.407 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000911849926 636421836 /nfs/dbraw/zinc/42/18/36/636421836.db2.gz WLCWHZTVWLGSQF-LBPRGKRZSA-N 2 2 252.362 0.963 20 0 CCADLP C[C@@H]1[C@H](C(=O)N2CC[NH2+][C@@H](c3cnn(C)c3)C2)CC[N@@H+]1C ZINC000913456982 636812813 /nfs/dbraw/zinc/81/28/13/636812813.db2.gz QMBFNWNWLIXUNL-MRVWCRGKSA-N 2 2 291.399 0.233 20 0 CCADLP C[C@@H]1[C@H](C(=O)N2CC[NH2+][C@@H](c3cnn(C)c3)C2)CC[N@H+]1C ZINC000913456982 636812817 /nfs/dbraw/zinc/81/28/17/636812817.db2.gz QMBFNWNWLIXUNL-MRVWCRGKSA-N 2 2 291.399 0.233 20 0 CCADLP OC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000063002400 637191281 /nfs/dbraw/zinc/19/12/81/637191281.db2.gz NQGIVORIFNASDT-HUUCEWRRSA-N 2 2 264.369 0.766 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000261567668 637398566 /nfs/dbraw/zinc/39/85/66/637398566.db2.gz IGKUJMKEROVOGB-NWDGAFQWSA-N 2 2 269.389 0.211 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000261567668 637398570 /nfs/dbraw/zinc/39/85/70/637398570.db2.gz IGKUJMKEROVOGB-NWDGAFQWSA-N 2 2 269.389 0.211 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)NC[C@@H]1CC[N@H+]1C ZINC000914247697 637571626 /nfs/dbraw/zinc/57/16/26/637571626.db2.gz DLKFVEUYVSIHAF-LBPRGKRZSA-N 2 2 265.361 0.585 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000914247697 637571635 /nfs/dbraw/zinc/57/16/35/637571635.db2.gz DLKFVEUYVSIHAF-LBPRGKRZSA-N 2 2 265.361 0.585 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NCC[NH+]2CCOC(C)(C)C2)CC[N@@H+]1C ZINC000915854091 637801347 /nfs/dbraw/zinc/80/13/47/637801347.db2.gz CYGQXOJETZDBCG-CHWSQXEVSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NCC[NH+]2CCOC(C)(C)C2)CC[N@H+]1C ZINC000915854091 637801350 /nfs/dbraw/zinc/80/13/50/637801350.db2.gz CYGQXOJETZDBCG-CHWSQXEVSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC[NH+]1C ZINC000915854091 637801353 /nfs/dbraw/zinc/80/13/53/637801353.db2.gz CYGQXOJETZDBCG-CHWSQXEVSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC[NH+]1C ZINC000915854091 637801355 /nfs/dbraw/zinc/80/13/55/637801355.db2.gz CYGQXOJETZDBCG-CHWSQXEVSA-N 2 2 298.431 0.489 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@H+](CCCO)[C@@H]1C ZINC000994297629 637917140 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C[C@@H](O)C[NH2+]C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000996651411 638825715 /nfs/dbraw/zinc/82/57/15/638825715.db2.gz PWFMKORYZUJVKA-LLVKDONJSA-N 2 2 280.372 0.304 20 0 CCADLP CC[NH2+]C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000997221572 638859332 /nfs/dbraw/zinc/85/93/32/638859332.db2.gz LUIPSBRMUJGULO-UHFFFAOYSA-N 2 2 250.346 0.861 20 0 CCADLP CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC([NH2+]CCF)C1 ZINC000999005012 638955092 /nfs/dbraw/zinc/95/50/92/638955092.db2.gz NCLAHTGERHESOJ-PNESKVBLSA-N 2 2 294.374 0.994 20 0 CCADLP O=C(c1cccc2[nH+]ccn21)N1CCC[C@H]([NH2+]CCO)C1 ZINC000999679904 638990303 /nfs/dbraw/zinc/99/03/03/638990303.db2.gz GAZTVNGCVWIUQD-LBPRGKRZSA-N 2 2 288.351 0.521 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000999837714 639001290 /nfs/dbraw/zinc/00/12/90/639001290.db2.gz RZAFMTQNSZNTIT-STQMWFEESA-N 2 2 280.372 0.235 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC1CC[NH+](CCF)CC1 ZINC001004257018 639737496 /nfs/dbraw/zinc/73/74/96/639737496.db2.gz HQMAXCVFLAYNKN-UHFFFAOYSA-N 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O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001016392368 650724183 /nfs/dbraw/zinc/72/41/83/650724183.db2.gz DFFGDKGQBYICJD-CQSZACIVSA-N 2 2 285.351 0.669 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001016392368 650724184 /nfs/dbraw/zinc/72/41/84/650724184.db2.gz DFFGDKGQBYICJD-CQSZACIVSA-N 2 2 285.351 0.669 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+](C[C@H]2CCCOC2)C1 ZINC001016397827 650724923 /nfs/dbraw/zinc/72/49/23/650724923.db2.gz OBTWTAMNDQOTEF-KGLIPLIRSA-N 2 2 292.383 0.500 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+](C[C@H]2CCCOC2)C1 ZINC001016397827 650724925 /nfs/dbraw/zinc/72/49/25/650724925.db2.gz OBTWTAMNDQOTEF-KGLIPLIRSA-N 2 2 292.383 0.500 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001016398710 650725295 /nfs/dbraw/zinc/72/52/95/650725295.db2.gz WDYACUBRIBKSOC-STQMWFEESA-N 2 2 278.356 0.110 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001016398710 650725299 /nfs/dbraw/zinc/72/52/99/650725299.db2.gz WDYACUBRIBKSOC-STQMWFEESA-N 2 2 278.356 0.110 20 0 CCADLP [NH3+][C@H](CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C1CC1 ZINC000830630745 642278354 /nfs/dbraw/zinc/27/83/54/642278354.db2.gz NHJLHNSPHFVCPW-ZIAGYGMSSA-N 2 2 281.400 0.437 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC12CC[NH+](CCO)CC2 ZINC001016950063 650773110 /nfs/dbraw/zinc/77/31/10/650773110.db2.gz JKUHAIASQYJHHC-CYBMUJFWSA-N 2 2 292.383 0.224 20 0 CCADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)NCc2ccccn2)C1 ZINC000844218098 643183940 /nfs/dbraw/zinc/18/39/40/643183940.db2.gz QSNDLDCJUINSTC-GFCCVEGCSA-N 2 2 262.357 0.369 20 0 CCADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)NCc2ccccn2)C1 ZINC000844218098 643183945 /nfs/dbraw/zinc/18/39/45/643183945.db2.gz QSNDLDCJUINSTC-GFCCVEGCSA-N 2 2 262.357 0.369 20 0 CCADLP C[C@H]1CN(C(=[NH2+])NCc2c[nH+]c3n2CCCC3)CCO1 ZINC000849002595 643697453 /nfs/dbraw/zinc/69/74/53/643697453.db2.gz KUONHVJQWRRSEF-NSHDSACASA-N 2 2 277.372 0.964 20 0 CCADLP Cn1c[nH+]c(CCNC(=[NH2+])NC[C@H]2CCCO2)c1 ZINC000849040108 643706936 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ZINC000854358548 644192857 /nfs/dbraw/zinc/19/28/57/644192857.db2.gz YMXGDWUSCPQBDV-JTQLQIEISA-N 2 2 266.345 0.730 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NOC1CC[NH+](C)CC1 ZINC000854358548 644192859 /nfs/dbraw/zinc/19/28/59/644192859.db2.gz YMXGDWUSCPQBDV-JTQLQIEISA-N 2 2 266.345 0.730 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CCC[NH2+][C@H]1C)CN1CC[NH+](C)CC1 ZINC000925490209 644418576 /nfs/dbraw/zinc/41/85/76/644418576.db2.gz MCZCAMXNZYOGRU-QLFBSQMISA-N 3 2 268.449 0.600 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000857102662 644466373 /nfs/dbraw/zinc/46/63/73/644466373.db2.gz JRMRDKNEVQNWCU-QWHCGFSZSA-N 3 2 297.447 0.191 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000857102662 644466378 /nfs/dbraw/zinc/46/63/78/644466378.db2.gz JRMRDKNEVQNWCU-QWHCGFSZSA-N 3 2 297.447 0.191 20 0 CCADLP O=C1CCN1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000857231980 644484969 /nfs/dbraw/zinc/48/49/69/644484969.db2.gz WWRWZFNWRNYSPB-UHFFFAOYSA-N 2 2 267.373 0.220 20 0 CCADLP C[C@@H](C[C@@H]1CCOC1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000858467340 644623171 /nfs/dbraw/zinc/62/31/71/644623171.db2.gz ULVYMPQEVLHIOE-IHRRRGAJSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H](C[C@@H]1CCOC1)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000858467340 644623180 /nfs/dbraw/zinc/62/31/80/644623180.db2.gz ULVYMPQEVLHIOE-IHRRRGAJSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@H]([NH3+])CN(C)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000861611955 644898457 /nfs/dbraw/zinc/89/84/57/644898457.db2.gz GNLVQOPAZQYDAZ-JTQLQIEISA-N 2 2 261.329 0.823 20 0 CCADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CC[C@H]([NH2+]CCF)C1 ZINC001019365677 650966471 /nfs/dbraw/zinc/96/64/71/650966471.db2.gz MHLANYMSWMDMCW-WDEREUQCSA-N 2 2 280.347 0.990 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]Cc3cnon3)C2)C1 ZINC001019382427 650967380 /nfs/dbraw/zinc/96/73/80/650967380.db2.gz ATISLHFFUVYCES-RYUDHWBXSA-N 2 2 293.371 0.102 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]Cc3cnon3)C2)C1 ZINC001019382427 650967383 /nfs/dbraw/zinc/96/73/83/650967383.db2.gz ATISLHFFUVYCES-RYUDHWBXSA-N 2 2 293.371 0.102 20 0 CCADLP CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2nonc2C)C1)[NH+](C)C ZINC001019396951 650968840 /nfs/dbraw/zinc/96/88/40/650968840.db2.gz BOGSHCUFXMKODL-AAEUAGOBSA-N 2 2 295.387 0.409 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC001019438913 650972715 /nfs/dbraw/zinc/97/27/15/650972715.db2.gz WEOFKJPJRSVSQX-GXTWGEPZSA-N 2 2 292.383 0.712 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]([NH2+]CCF)C1 ZINC001019493596 650978215 /nfs/dbraw/zinc/97/82/15/650978215.db2.gz FWCDNWONJRNSSM-MNOVXSKESA-N 2 2 268.336 0.748 20 0 CCADLP C[C@H]([NH3+])C[N@H+](C)CCC(=O)NC(=O)NCc1ccccc1 ZINC000863569353 645108723 /nfs/dbraw/zinc/10/87/23/645108723.db2.gz SRDQMHANMMCTRN-LBPRGKRZSA-N 2 2 292.383 0.682 20 0 CCADLP C[C@H]([NH3+])C[N@@H+](C)CCC(=O)NC(=O)NCc1ccccc1 ZINC000863569353 645108727 /nfs/dbraw/zinc/10/87/27/645108727.db2.gz SRDQMHANMMCTRN-LBPRGKRZSA-N 2 2 292.383 0.682 20 0 CCADLP O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000865059074 645317759 /nfs/dbraw/zinc/31/77/59/645317759.db2.gz QQYBHLWJOXRSJJ-YPMHNXCESA-N 2 2 278.356 0.530 20 0 CCADLP Cn1cc(C[NH2+][C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001019868872 651011836 /nfs/dbraw/zinc/01/18/36/651011836.db2.gz LWCZZETYQRXZKB-ZDUSSCGKSA-N 2 2 288.355 0.007 20 0 CCADLP NC(=O)c1ccc(CC[N@@H+]2CC3CC2(C[NH3+])C3)cc1 ZINC000866668883 645567955 /nfs/dbraw/zinc/56/79/55/645567955.db2.gz KSMLFKPNZTXKGH-UHFFFAOYSA-N 2 2 259.353 0.751 20 0 CCADLP NC(=O)c1ccc(CC[N@H+]2CC3CC2(C[NH3+])C3)cc1 ZINC000866668883 645567960 /nfs/dbraw/zinc/56/79/60/645567960.db2.gz KSMLFKPNZTXKGH-UHFFFAOYSA-N 2 2 259.353 0.751 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870953282 646060738 /nfs/dbraw/zinc/06/07/38/646060738.db2.gz SAOMNWFEZRIPIB-XJFOESAGSA-N 2 2 283.416 0.729 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870953282 646060742 /nfs/dbraw/zinc/06/07/42/646060742.db2.gz SAOMNWFEZRIPIB-XJFOESAGSA-N 2 2 283.416 0.729 20 0 CCADLP O=C(C[NH+]1CCCC1)NCCc1cn2c([nH+]1)CCCC2 ZINC000873975113 646414988 /nfs/dbraw/zinc/41/49/88/646414988.db2.gz PXFHHHNVLGCPOQ-UHFFFAOYSA-N 2 2 276.384 0.974 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)C[NH+]1CCCC1 ZINC000874340116 646445424 /nfs/dbraw/zinc/44/54/24/646445424.db2.gz MHEZVZZFVACJBY-UHFFFAOYSA-N 2 2 269.389 0.309 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)C[NH+]1CCCC1 ZINC000874340116 646445428 /nfs/dbraw/zinc/44/54/28/646445428.db2.gz MHEZVZZFVACJBY-UHFFFAOYSA-N 2 2 269.389 0.309 20 0 CCADLP [NH3+]Cc1cccc(NC(=O)/C=C/C[NH+]2CCOCC2)c1 ZINC000876505248 646613960 /nfs/dbraw/zinc/61/39/60/646613960.db2.gz QVOKSJKUBMEYFD-GORDUTHDSA-N 2 2 275.352 0.972 20 0 CCADLP O=C(/C=C\[C@@H]1CCC[NH2+]C1)NCCCn1cc[nH+]c1 ZINC000876707414 646647151 /nfs/dbraw/zinc/64/71/51/646647151.db2.gz FRLMNSKMGUYXGN-ZFDPJTLLSA-N 2 2 262.357 0.945 20 0 CCADLP O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000876709089 646647232 /nfs/dbraw/zinc/64/72/32/646647232.db2.gz IQMOAKZPNFSVTC-MGPQQGTHSA-N 2 2 299.390 0.257 20 0 CCADLP C[C@H](CNC(=O)[C@H](F)[C@H]1CC[NH2+]C1)Cn1cc[nH+]c1 ZINC000876730597 646651566 /nfs/dbraw/zinc/65/15/66/646651566.db2.gz HRVZUBPUHLGUST-GRYCIOLGSA-N 2 2 268.336 0.583 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876730104 646652434 /nfs/dbraw/zinc/65/24/34/646652434.db2.gz CTVGVMQKPZYHMS-GMTAPVOTSA-N 2 2 254.309 0.335 20 0 CCADLP [NH3+]C[C@@H]1[C@H](C(=O)NCC[NH+]2Cc3ccccc3C2)C1(F)F ZINC000876737619 646653350 /nfs/dbraw/zinc/65/33/50/646653350.db2.gz VCHNCAZHOBFGBZ-CHWSQXEVSA-N 2 2 295.333 0.958 20 0 CCADLP O=C(/C=C\[C@@H]1CCC[NH2+]C1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000876973388 646711016 /nfs/dbraw/zinc/71/10/16/646711016.db2.gz ZHKNHQFSNXBMLU-ZYOQUQOHSA-N 2 2 292.427 0.048 20 0 CCADLP O=C(/C=C\[C@@H]1CCC[NH2+]C1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000876973388 646711018 /nfs/dbraw/zinc/71/10/18/646711018.db2.gz ZHKNHQFSNXBMLU-ZYOQUQOHSA-N 2 2 292.427 0.048 20 0 CCADLP C[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)C1CC[NH2+]CC1 ZINC000877253500 646770119 /nfs/dbraw/zinc/77/01/19/646770119.db2.gz ZYMYTGFIDIJVFJ-IBUXWKBASA-N 2 2 281.400 0.379 20 0 CCADLP O[C@@H]1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@@H]1O ZINC000877750874 646839090 /nfs/dbraw/zinc/83/90/90/646839090.db2.gz ZGHBNVKUDVMSJP-KGLIPLIRSA-N 2 2 274.324 0.195 20 0 CCADLP O[C@@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@@H]1O ZINC000877750874 646839093 /nfs/dbraw/zinc/83/90/93/646839093.db2.gz ZGHBNVKUDVMSJP-KGLIPLIRSA-N 2 2 274.324 0.195 20 0 CCADLP C[C@@H]1[N@H+](CC(=O)NC2CC[NH+](C)CC2)CCOC1(C)C ZINC000878194960 646880774 /nfs/dbraw/zinc/88/07/74/646880774.db2.gz JSPZEUYNRSCZEI-LBPRGKRZSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1[N@@H+](CC(=O)NC2CC[NH+](C)CC2)CCOC1(C)C ZINC000878194960 646880777 /nfs/dbraw/zinc/88/07/77/646880777.db2.gz JSPZEUYNRSCZEI-LBPRGKRZSA-N 2 2 283.416 0.696 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+](CC1CC1)[C@@H](C(N)=O)C1CC1)C1CC1 ZINC000879487707 647064286 /nfs/dbraw/zinc/06/42/86/647064286.db2.gz ZMCHLVKOCVCHOH-LSDHHAIUSA-N 2 2 295.427 0.417 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+](CC1CC1)[C@@H](C(N)=O)C1CC1)C1CC1 ZINC000879487707 647064289 /nfs/dbraw/zinc/06/42/89/647064289.db2.gz ZMCHLVKOCVCHOH-LSDHHAIUSA-N 2 2 295.427 0.417 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+](CC1CC1)[C@@H](C(N)=O)C1CC1)C1CC1 ZINC000879487707 647064291 /nfs/dbraw/zinc/06/42/91/647064291.db2.gz ZMCHLVKOCVCHOH-LSDHHAIUSA-N 2 2 295.427 0.417 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+](CC1CC1)[C@@H](C(N)=O)C1CC1)C1CC1 ZINC000879487707 647064293 /nfs/dbraw/zinc/06/42/93/647064293.db2.gz ZMCHLVKOCVCHOH-LSDHHAIUSA-N 2 2 295.427 0.417 20 0 CCADLP Cc1cc[nH+]c(NCC[N@@H+](C)CCOCCO)c1 ZINC000882951668 647468735 /nfs/dbraw/zinc/46/87/35/647468735.db2.gz PQUBCCJPCQZDLB-UHFFFAOYSA-N 2 2 253.346 0.743 20 0 CCADLP Cc1cc[nH+]c(NCC[N@H+](C)CCOCCO)c1 ZINC000882951668 647468737 /nfs/dbraw/zinc/46/87/37/647468737.db2.gz PQUBCCJPCQZDLB-UHFFFAOYSA-N 2 2 253.346 0.743 20 0 CCADLP F[C@@H]1C[NH2+][C@H](CN2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000883424451 647523520 /nfs/dbraw/zinc/52/35/20/647523520.db2.gz SPZMFDKCDSIPAF-ZFWWWQNUSA-N 2 2 278.375 0.899 20 0 CCADLP Cc1cc(C[NH+]2CCN(C[C@@H]3C[C@H](F)C[NH2+]3)CC2)on1 ZINC000883423639 647523969 /nfs/dbraw/zinc/52/39/69/647523969.db2.gz QGFQCLPTBLPJQT-STQMWFEESA-N 2 2 282.363 0.801 20 0 CCADLP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ncco1 ZINC000886536391 647985446 /nfs/dbraw/zinc/98/54/46/647985446.db2.gz GUUWXHVDLCICST-GFCCVEGCSA-N 2 2 252.362 0.963 20 0 CCADLP OC[C@H](C[C@H]1CCCO1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000886670299 647997892 /nfs/dbraw/zinc/99/78/92/647997892.db2.gz MPYNZTJSGFUTTK-HRCADAONSA-N 2 2 298.427 0.759 20 0 CCADLP OC[C@@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000886794810 648014812 /nfs/dbraw/zinc/01/48/12/648014812.db2.gz FCXZSMUNSVZXNR-NWDGAFQWSA-N 2 2 296.333 0.690 20 0 CCADLP OC[C@@]1(C(F)(F)F)CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000886794810 648014815 /nfs/dbraw/zinc/01/48/15/648014815.db2.gz FCXZSMUNSVZXNR-NWDGAFQWSA-N 2 2 296.333 0.690 20 0 CCADLP Cc1c[nH]nc1C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000886840091 648023753 /nfs/dbraw/zinc/02/37/53/648023753.db2.gz STYIOZSHPAPYMS-GFCCVEGCSA-N 2 2 275.360 0.605 20 0 CCADLP Cc1c[nH]nc1C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000886840091 648023763 /nfs/dbraw/zinc/02/37/63/648023763.db2.gz STYIOZSHPAPYMS-GFCCVEGCSA-N 2 2 275.360 0.605 20 0 CCADLP Cc1cn[nH]c1C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000886840091 648023772 /nfs/dbraw/zinc/02/37/72/648023772.db2.gz STYIOZSHPAPYMS-GFCCVEGCSA-N 2 2 275.360 0.605 20 0 CCADLP Cc1cn[nH]c1C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000886840091 648023778 /nfs/dbraw/zinc/02/37/78/648023778.db2.gz STYIOZSHPAPYMS-GFCCVEGCSA-N 2 2 275.360 0.605 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889756876 648244783 /nfs/dbraw/zinc/24/47/83/648244783.db2.gz OXMXLHODISIDHC-KBPBESRZSA-N 2 2 292.383 0.318 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889756876 648244787 /nfs/dbraw/zinc/24/47/87/648244787.db2.gz OXMXLHODISIDHC-KBPBESRZSA-N 2 2 292.383 0.318 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ncco1 ZINC000924990700 648394671 /nfs/dbraw/zinc/39/46/71/648394671.db2.gz HKEDAFAAAAYWQG-NEPJUHHUSA-N 2 2 252.362 0.961 20 0 CCADLP C[C@@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1c[nH+]ccc1N ZINC000925771767 648460503 /nfs/dbraw/zinc/46/05/03/648460503.db2.gz ODDHLPPYQYRIDT-OPRDCNLKSA-N 2 2 269.370 0.720 20 0 CCADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925839796 648465311 /nfs/dbraw/zinc/46/53/11/648465311.db2.gz FKLUIOXGJSHCRZ-CABCVRRESA-N 3 2 268.449 0.792 20 0 CCADLP O=C1NCCN1CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926872680 648532769 /nfs/dbraw/zinc/53/27/69/648532769.db2.gz JBBKMEWBHOVTQP-OLZOCXBDSA-N 2 2 266.389 0.618 20 0 CCADLP O=C1NCCN1CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926872680 648532774 /nfs/dbraw/zinc/53/27/74/648532774.db2.gz JBBKMEWBHOVTQP-OLZOCXBDSA-N 2 2 266.389 0.618 20 0 CCADLP OC[C@H](O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000930127998 648827597 /nfs/dbraw/zinc/82/75/97/648827597.db2.gz BNPSDTXZQKOUDF-GFCCVEGCSA-N 2 2 251.330 0.311 20 0 CCADLP C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)[N@@H+]1CCc1c[nH+]cn1C ZINC000930910769 648924082 /nfs/dbraw/zinc/92/40/82/648924082.db2.gz HWPGQKHWTAZUPO-NTZNESFSSA-N 2 2 264.373 0.937 20 0 CCADLP C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)[N@H+]1CCc1c[nH+]cn1C ZINC000930910769 648924086 /nfs/dbraw/zinc/92/40/86/648924086.db2.gz HWPGQKHWTAZUPO-NTZNESFSSA-N 2 2 264.373 0.937 20 0 CCADLP C[C@@H]1CCCN1C(=O)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931280288 648973601 /nfs/dbraw/zinc/97/36/01/648973601.db2.gz WGCWRAYFVHRUHW-CXTNEJHOSA-N 2 2 265.401 0.879 20 0 CCADLP C[C@@H]1CCCN1C(=O)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931280288 648973603 /nfs/dbraw/zinc/97/36/03/648973603.db2.gz WGCWRAYFVHRUHW-CXTNEJHOSA-N 2 2 265.401 0.879 20 0 CCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H](O)C1(O)CCC1 ZINC000931718538 649021690 /nfs/dbraw/zinc/02/16/90/649021690.db2.gz ASEIQKDAMUUSDX-XQQFMLRXSA-N 2 2 254.374 0.431 20 0 CCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H](O)C1(O)CCC1 ZINC000931718538 649021694 /nfs/dbraw/zinc/02/16/94/649021694.db2.gz ASEIQKDAMUUSDX-XQQFMLRXSA-N 2 2 254.374 0.431 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@H](O)C1(O)CCC1 ZINC000931718538 649021697 /nfs/dbraw/zinc/02/16/97/649021697.db2.gz ASEIQKDAMUUSDX-XQQFMLRXSA-N 2 2 254.374 0.431 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@H](O)C1(O)CCC1 ZINC000931718538 649021699 /nfs/dbraw/zinc/02/16/99/649021699.db2.gz ASEIQKDAMUUSDX-XQQFMLRXSA-N 2 2 254.374 0.431 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000246482000 649676971 /nfs/dbraw/zinc/67/69/71/649676971.db2.gz OPMPDXPNABBXHZ-UTUOFQBUSA-N 2 2 262.357 0.989 20 0 CCADLP CNc1cc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)nc[nH+]1 ZINC000249844270 649753328 /nfs/dbraw/zinc/75/33/28/649753328.db2.gz ABWZTCHCQAXAKO-WDEREUQCSA-N 2 2 263.345 0.793 20 0 CCADLP CNc1cc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)nc[nH+]1 ZINC000249844270 649753331 /nfs/dbraw/zinc/75/33/31/649753331.db2.gz ABWZTCHCQAXAKO-WDEREUQCSA-N 2 2 263.345 0.793 20 0 CCADLP CCN(C)c1cc(C)[nH+]c(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)n1 ZINC001164667185 719368273 /nfs/dbraw/zinc/36/82/73/719368273.db2.gz JJGZWBTVOBDOIG-OLZOCXBDSA-N 2 2 291.399 0.760 20 0 CCADLP CCN(C)c1cc(C)[nH+]c(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)n1 ZINC001164667185 719368276 /nfs/dbraw/zinc/36/82/76/719368276.db2.gz JJGZWBTVOBDOIG-OLZOCXBDSA-N 2 2 291.399 0.760 20 0 CCADLP C[C@@H]1CCCN(c2cc(N3C[C@@H](O)[C@@H]([NH3+])C3)nc[nH+]2)C1 ZINC001167089563 790515459 /nfs/dbraw/zinc/51/54/59/790515459.db2.gz KWFBCILXDOLCHW-GRYCIOLGSA-N 2 2 277.372 0.221 20 0 CCADLP [NH3+]Cc1ocnc1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000721418444 790692839 /nfs/dbraw/zinc/69/28/39/790692839.db2.gz FXOIUSFFZJLOGM-UHFFFAOYSA-N 2 2 278.356 0.834 20 0 CCADLP C[C@@H]1CC[C@H](C[NH2+]CCCNC(=O)Cc2c[nH]c[nH+]2)O1 ZINC001167346633 790936821 /nfs/dbraw/zinc/93/68/21/790936821.db2.gz RCBCNNUZYNRAPG-DGCLKSJQSA-N 2 2 280.372 0.616 20 0 CCADLP Cc1nccnc1C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167349929 790945857 /nfs/dbraw/zinc/94/58/57/790945857.db2.gz LYZMFHCHDYXWSX-UHFFFAOYSA-N 2 2 288.355 0.347 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000723879266 791306329 /nfs/dbraw/zinc/30/63/29/791306329.db2.gz MVGJGYLLQHEEMQ-NEPJUHHUSA-N 2 2 292.445 0.414 20 0 CCADLP COC[C@H](C)[NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001167429291 791066014 /nfs/dbraw/zinc/06/60/14/791066014.db2.gz QVGUTXFDONFMLR-STQMWFEESA-N 2 2 282.388 0.965 20 0 CCADLP CC(C)OCC[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001266641716 791072908 /nfs/dbraw/zinc/07/29/08/791072908.db2.gz MTNPPXZWPNPICW-JOCQHMNTSA-N 2 2 280.372 0.545 20 0 CCADLP Cc1ccc(O)c(C[NH+]2CC(N3CC[NH+](C)CC3)C2)n1 ZINC001231674913 805829438 /nfs/dbraw/zinc/82/94/38/805829438.db2.gz KNSVRHMOMWJMLA-UHFFFAOYSA-N 2 2 276.384 0.527 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](Cc2ccns2)CCC1=O ZINC001232192260 805906502 /nfs/dbraw/zinc/90/65/02/805906502.db2.gz AYTVLZSTUUBNHQ-UHFFFAOYSA-N 2 2 282.413 0.739 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](Cc2ccns2)CCC1=O ZINC001232192260 805906506 /nfs/dbraw/zinc/90/65/06/805906506.db2.gz AYTVLZSTUUBNHQ-UHFFFAOYSA-N 2 2 282.413 0.739 20 0 CCADLP OCCC[NH+]1CCN(Cc2cccc3[nH+]ccn32)CC1 ZINC001233360881 806044181 /nfs/dbraw/zinc/04/41/81/806044181.db2.gz LHBUDZGBZWOSMC-UHFFFAOYSA-N 2 2 274.368 0.834 20 0 CCADLP COCC[NH2+]C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001266826675 791272299 /nfs/dbraw/zinc/27/22/99/791272299.db2.gz VQPLDAISMMBDDB-ZDUSSCGKSA-N 2 2 280.372 0.358 20 0 CCADLP C[N@H+](C1CN(Cc2cccc(N)[nH+]2)C1)[C@@H]1CCOC1 ZINC001233372106 806051122 /nfs/dbraw/zinc/05/11/22/806051122.db2.gz YCBQMUXBDMYSPE-GFCCVEGCSA-N 2 2 262.357 0.569 20 0 CCADLP C[N@@H+](C1CN(Cc2cccc(N)[nH+]2)C1)[C@@H]1CCOC1 ZINC001233372106 806051130 /nfs/dbraw/zinc/05/11/30/806051130.db2.gz YCBQMUXBDMYSPE-GFCCVEGCSA-N 2 2 262.357 0.569 20 0 CCADLP CC(C)OCC[NH2+][C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001266981868 791417696 /nfs/dbraw/zinc/41/76/96/791417696.db2.gz SAMSUEKNGPWJBH-LLVKDONJSA-N 2 2 268.361 0.472 20 0 CCADLP CN(CC[NH2+]Cc1cnsn1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001266989123 791424896 /nfs/dbraw/zinc/42/48/96/791424896.db2.gz SRNIBJFXQAIMDT-NSHDSACASA-N 2 2 297.428 0.428 20 0 CCADLP CN(CC[NH2+]Cc1cnsn1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001266989123 791424902 /nfs/dbraw/zinc/42/49/02/791424902.db2.gz SRNIBJFXQAIMDT-NSHDSACASA-N 2 2 297.428 0.428 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001022692105 791528506 /nfs/dbraw/zinc/52/85/06/791528506.db2.gz FWLKDCVTDIEXJK-YFKTTZPYSA-N 2 2 292.383 0.447 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724572216 791596366 /nfs/dbraw/zinc/59/63/66/791596366.db2.gz YFWRLXDZVDSUOH-ZUWCUPBKSA-N 2 2 254.374 0.992 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724572216 791596372 /nfs/dbraw/zinc/59/63/72/791596372.db2.gz YFWRLXDZVDSUOH-ZUWCUPBKSA-N 2 2 254.374 0.992 20 0 CCADLP CCOC(=O)C(=O)C[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001277839895 806197159 /nfs/dbraw/zinc/19/71/59/806197159.db2.gz MPFZUJXSMQOMFT-UHFFFAOYSA-N 2 2 282.384 0.926 20 0 CCADLP CCOC(=O)C(=O)C[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001277839895 806197163 /nfs/dbraw/zinc/19/71/63/806197163.db2.gz MPFZUJXSMQOMFT-UHFFFAOYSA-N 2 2 282.384 0.926 20 0 CCADLP Cc1[nH]c(CN2CC([N@@H+](C)[C@@H]3CCOC3)C2)c(C)[nH+]1 ZINC001234635999 806290306 /nfs/dbraw/zinc/29/03/06/806290306.db2.gz TVHCXCIMEPONBY-GFCCVEGCSA-N 2 2 264.373 0.931 20 0 CCADLP Cc1[nH]c(CN2CC([N@H+](C)[C@@H]3CCOC3)C2)c(C)[nH+]1 ZINC001234635999 806290309 /nfs/dbraw/zinc/29/03/09/806290309.db2.gz TVHCXCIMEPONBY-GFCCVEGCSA-N 2 2 264.373 0.931 20 0 CCADLP c1cc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc2c1OCC2 ZINC001235052115 806353156 /nfs/dbraw/zinc/35/31/56/806353156.db2.gz MNWYCTDQXXXKTQ-INIZCTEOSA-N 2 2 273.380 0.759 20 0 CCADLP c1cc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc2c1OCC2 ZINC001235052115 806353166 /nfs/dbraw/zinc/35/31/66/806353166.db2.gz MNWYCTDQXXXKTQ-INIZCTEOSA-N 2 2 273.380 0.759 20 0 CCADLP c1[nH]nc2ccc(C[N@@H+]3CCN[C@]4(CC[NH2+]C4)C3)cc12 ZINC001235054756 806357646 /nfs/dbraw/zinc/35/76/46/806357646.db2.gz SDGALGQEIULFNB-HNNXBMFYSA-N 2 2 271.368 0.700 20 0 CCADLP c1[nH]nc2ccc(C[N@H+]3CCN[C@]4(CC[NH2+]C4)C3)cc12 ZINC001235054756 806357657 /nfs/dbraw/zinc/35/76/57/806357657.db2.gz SDGALGQEIULFNB-HNNXBMFYSA-N 2 2 271.368 0.700 20 0 CCADLP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3CCC34CC[NH2+]CC4)[C@@H](O)[C@@H]2O1 ZINC001235101995 806369895 /nfs/dbraw/zinc/36/98/95/806369895.db2.gz KCTTVCOFOYVERB-RNJOBUHISA-N 2 2 298.383 0.052 20 0 CCADLP CC1(C)O[C@@H]2O[C@@H](C[N@H+]3CCC34CC[NH2+]CC4)[C@@H](O)[C@@H]2O1 ZINC001235101995 806369903 /nfs/dbraw/zinc/36/99/03/806369903.db2.gz KCTTVCOFOYVERB-RNJOBUHISA-N 2 2 298.383 0.052 20 0 CCADLP CC1(C)O[C@@H]2O[C@@H](C[NH+]3CCC4(CC[NH2+]4)CC3)[C@@H](O)[C@@H]2O1 ZINC001235106441 806370439 /nfs/dbraw/zinc/37/04/39/806370439.db2.gz NZCODTCSCWYPHQ-RNJOBUHISA-N 2 2 298.383 0.052 20 0 CCADLP CCOC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CCO)CC2)C1 ZINC001235343118 806410047 /nfs/dbraw/zinc/41/00/47/806410047.db2.gz SHKBJIUATGASQS-ZDUSSCGKSA-N 2 2 284.400 0.718 20 0 CCADLP CCOC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CCO)CC2)C1 ZINC001235343118 806410052 /nfs/dbraw/zinc/41/00/52/806410052.db2.gz SHKBJIUATGASQS-ZDUSSCGKSA-N 2 2 284.400 0.718 20 0 CCADLP CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001277938691 806410174 /nfs/dbraw/zinc/41/01/74/806410174.db2.gz WKZFXPAIIVCLBO-IJLUTSLNSA-N 2 2 264.373 0.980 20 0 CCADLP [NH3+]CC[N@@H+]1C[C@H]2CN(Cc3cccc(F)c3)C(=O)[C@@H]2C1 ZINC001235466800 806426359 /nfs/dbraw/zinc/42/63/59/806426359.db2.gz LKARFGAITWTYGN-GXTWGEPZSA-N 2 2 277.343 0.675 20 0 CCADLP [NH3+]CC[N@H+]1C[C@H]2CN(Cc3cccc(F)c3)C(=O)[C@@H]2C1 ZINC001235466800 806426367 /nfs/dbraw/zinc/42/63/67/806426367.db2.gz LKARFGAITWTYGN-GXTWGEPZSA-N 2 2 277.343 0.675 20 0 CCADLP [NH3+]CC[N@@H+]1CC[C@]2(CCN(c3cccnc3)C2=O)C1 ZINC001235490859 806433045 /nfs/dbraw/zinc/43/30/45/806433045.db2.gz ZXCBJYMRFUJHIW-AWEZNQCLSA-N 2 2 260.341 0.469 20 0 CCADLP [NH3+]CC[N@H+]1CC[C@]2(CCN(c3cccnc3)C2=O)C1 ZINC001235490859 806433052 /nfs/dbraw/zinc/43/30/52/806433052.db2.gz ZXCBJYMRFUJHIW-AWEZNQCLSA-N 2 2 260.341 0.469 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@]2(C[C@@H](OCC(=O)N(C)C)CO2)C1 ZINC001235573281 806459123 /nfs/dbraw/zinc/45/91/23/806459123.db2.gz GHSBXIAGKGWQFE-UMVBOHGHSA-N 2 2 299.415 0.062 20 0 CCADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@@]2(C[C@@H](OCC(=O)N(C)C)CO2)C1 ZINC001235573281 806459129 /nfs/dbraw/zinc/45/91/29/806459129.db2.gz GHSBXIAGKGWQFE-UMVBOHGHSA-N 2 2 299.415 0.062 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+]1CC[C@]2(C1)C[C@H](NC(=O)N(C)C)CCO2 ZINC001235613516 806472631 /nfs/dbraw/zinc/47/26/31/806472631.db2.gz YSWSJKZFHINDPI-YRGRVCCFSA-N 2 2 284.404 0.228 20 0 CCADLP C[C@@H]([NH3+])C[N@H+]1CC[C@]2(C1)C[C@H](NC(=O)N(C)C)CCO2 ZINC001235613516 806472636 /nfs/dbraw/zinc/47/26/36/806472636.db2.gz YSWSJKZFHINDPI-YRGRVCCFSA-N 2 2 284.404 0.228 20 0 CCADLP C[C@H]([NH3+])C[NH+]1CCC2(C[C@H](c3cccnc3)C(=O)N2)CC1 ZINC001235618955 806474895 /nfs/dbraw/zinc/47/48/95/806474895.db2.gz NCSFFVVPTOHABJ-GXTWGEPZSA-N 2 2 288.395 0.867 20 0 CCADLP CCOC[C@H]1C(=O)N(CC)CC12CC[NH+](C[C@H](C)[NH3+])CC2 ZINC001235632115 806478586 /nfs/dbraw/zinc/47/85/86/806478586.db2.gz JDCFBYLKMCHVNB-KBPBESRZSA-N 2 2 297.443 0.931 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1CC[C@]2(CC(=O)N(c3cncnc3)C2)C1 ZINC001235637935 806479037 /nfs/dbraw/zinc/47/90/37/806479037.db2.gz OCDKDSPPWPEMMO-FZMZJTMJSA-N 2 2 275.356 0.253 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1CC[C@]2(CC(=O)N(c3cncnc3)C2)C1 ZINC001235637935 806479042 /nfs/dbraw/zinc/47/90/42/806479042.db2.gz OCDKDSPPWPEMMO-FZMZJTMJSA-N 2 2 275.356 0.253 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC[C@H](n3cncn3)C2)O1 ZINC001235893645 806514465 /nfs/dbraw/zinc/51/44/65/806514465.db2.gz XWRJDUSJCDJWRE-RYUDHWBXSA-N 2 2 265.361 0.640 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC[C@H](n3cncn3)C2)O1 ZINC001235893645 806514474 /nfs/dbraw/zinc/51/44/74/806514474.db2.gz XWRJDUSJCDJWRE-RYUDHWBXSA-N 2 2 265.361 0.640 20 0 CCADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1CN1CC[NH2+]C2(CC2)C1 ZINC001235932408 806518709 /nfs/dbraw/zinc/51/87/09/806518709.db2.gz JRVMFWLWLSUOPB-MNOVXSKESA-N 2 2 259.344 0.915 20 0 CCADLP COc1cc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cc(OC)n1 ZINC001236002663 806528687 /nfs/dbraw/zinc/52/86/87/806528687.db2.gz YISFXZGWMFDBQQ-ODOQXGPZSA-N 2 2 293.367 0.504 20 0 CCADLP COc1cc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cc(OC)n1 ZINC001236002663 806528693 /nfs/dbraw/zinc/52/86/93/806528693.db2.gz YISFXZGWMFDBQQ-ODOQXGPZSA-N 2 2 293.367 0.504 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[C@H](C)C[NH2+]2)CN1 ZINC001246102263 807154075 /nfs/dbraw/zinc/15/40/75/807154075.db2.gz CFIMYOLOHCKPII-CRWXNKLISA-N 2 2 283.416 0.648 20 0 CCADLP C[N@H+](C[C@@H]1C[NH2+]C(C)(C)O1)[C@H]1CCC2(C1)OCCO2 ZINC001236411729 806589859 /nfs/dbraw/zinc/58/98/59/806589859.db2.gz OSXALDRXNJOIBG-RYUDHWBXSA-N 2 2 270.373 0.938 20 0 CCADLP C[N@@H+](C[C@@H]1C[NH2+]C(C)(C)O1)[C@H]1CCC2(C1)OCCO2 ZINC001236411729 806589866 /nfs/dbraw/zinc/58/98/66/806589866.db2.gz OSXALDRXNJOIBG-RYUDHWBXSA-N 2 2 270.373 0.938 20 0 CCADLP CN1C(=O)CCC12CC[NH+](C[C@@H]1C[NH2+]C(C)(C)O1)CC2 ZINC001236603963 806596118 /nfs/dbraw/zinc/59/61/18/806596118.db2.gz AKHJWTKKNGALKP-LBPRGKRZSA-N 2 2 281.400 0.798 20 0 CCADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCC([NH3+])CC2)[C@H]1C ZINC001120557681 798864251 /nfs/dbraw/zinc/86/42/51/798864251.db2.gz LQLWOLAVSHEXRV-MNOVXSKESA-N 2 2 254.378 0.459 20 0 CCADLP C[C@@H]1CCN(C(=O)NCC[NH+]2CCC([NH3+])CC2)[C@H]1C ZINC001120647740 798902532 /nfs/dbraw/zinc/90/25/32/798902532.db2.gz DENRYEUTUOMKEW-NEPJUHHUSA-N 2 2 268.405 0.849 20 0 CCADLP CC[N@H+](C)CCC(=O)NC[C@@H](CO)Nc1cc[nH+]c(C)n1 ZINC001122019163 799123746 /nfs/dbraw/zinc/12/37/46/799123746.db2.gz BCRYAGCIQZLWMK-LBPRGKRZSA-N 2 2 295.387 0.016 20 0 CCADLP CC[N@@H+](C)CCC(=O)NC[C@@H](CO)Nc1cc[nH+]c(C)n1 ZINC001122019163 799123750 /nfs/dbraw/zinc/12/37/50/799123750.db2.gz BCRYAGCIQZLWMK-LBPRGKRZSA-N 2 2 295.387 0.016 20 0 CCADLP Cc1cc(C(=O)NCC[NH+]2CCC([NH3+])CC2)c(C)[nH]1 ZINC001122157838 799157313 /nfs/dbraw/zinc/15/73/13/799157313.db2.gz WNEKWSSVVZRXPB-UHFFFAOYSA-N 2 2 264.373 0.784 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC001122301623 799192534 /nfs/dbraw/zinc/19/25/34/799192534.db2.gz IUMYZDCIGQENRF-HBNTYKKESA-N 2 2 250.346 0.642 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC001122301623 799192538 /nfs/dbraw/zinc/19/25/38/799192538.db2.gz IUMYZDCIGQENRF-HBNTYKKESA-N 2 2 250.346 0.642 20 0 CCADLP COCC[C@@H]1C[NH2+]CCN1C(=O)[C@H](C)n1cc[nH+]c1 ZINC001122314303 799195128 /nfs/dbraw/zinc/19/51/28/799195128.db2.gz YQGKPRSEYBRNPG-NWDGAFQWSA-N 2 2 266.345 0.281 20 0 CCADLP NC(=O)C1C[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001206723153 799697731 /nfs/dbraw/zinc/69/77/31/799697731.db2.gz VSJSUCSUWNQXMW-UHFFFAOYSA-N 2 2 289.379 0.436 20 0 CCADLP CC[C@H](C[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1)OC ZINC001203052416 799925345 /nfs/dbraw/zinc/92/53/45/799925345.db2.gz OOEBVZBOGISMDU-CYBMUJFWSA-N 2 2 294.399 0.958 20 0 CCADLP Cc1cccn2c([C@H](C)NS(=O)(=O)CC[NH3+])c[nH+]c12 ZINC001238734702 806803706 /nfs/dbraw/zinc/80/37/06/806803706.db2.gz ZSWLJHLLLFSRFL-JTQLQIEISA-N 2 2 282.369 0.582 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]CCOCC1CC1 ZINC001149571287 800278505 /nfs/dbraw/zinc/27/85/05/800278505.db2.gz XAONLJGDXTWSKU-UHFFFAOYSA-N 2 2 294.399 0.485 20 0 CCADLP CCC[N@@H+]1CCCO[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001150663761 800356868 /nfs/dbraw/zinc/35/68/68/800356868.db2.gz NZYRZLXBGDDRMA-ZDUSSCGKSA-N 2 2 294.399 0.878 20 0 CCADLP CCC[N@H+]1CCCO[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001150663761 800356875 /nfs/dbraw/zinc/35/68/75/800356875.db2.gz NZYRZLXBGDDRMA-ZDUSSCGKSA-N 2 2 294.399 0.878 20 0 CCADLP CC[N@@H+]1CCCO[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001150663021 800357385 /nfs/dbraw/zinc/35/73/85/800357385.db2.gz DYIFKABLUFJLFS-LBPRGKRZSA-N 2 2 280.372 0.488 20 0 CCADLP CC[N@H+]1CCCO[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001150663021 800357391 /nfs/dbraw/zinc/35/73/91/800357391.db2.gz DYIFKABLUFJLFS-LBPRGKRZSA-N 2 2 280.372 0.488 20 0 CCADLP CCc1noc([C@H](C)[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001151073274 800395151 /nfs/dbraw/zinc/39/51/51/800395151.db2.gz IFIJQPDIXXVCOQ-QWRGUYRKSA-N 2 2 295.387 0.351 20 0 CCADLP CCc1noc([C@H](C)[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001151073274 800395157 /nfs/dbraw/zinc/39/51/57/800395157.db2.gz IFIJQPDIXXVCOQ-QWRGUYRKSA-N 2 2 295.387 0.351 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]CCNC(=O)C[NH+]2CCCC2)n1 ZINC001151106857 800400051 /nfs/dbraw/zinc/40/00/51/800400051.db2.gz KBDAPDHJSIDHRD-SNVBAGLBSA-N 2 2 281.360 0.241 20 0 CCADLP CCCCC[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001151814500 800461708 /nfs/dbraw/zinc/46/17/08/800461708.db2.gz HFXZFPGDNHIJNL-HNNXBMFYSA-N 2 2 297.443 0.993 20 0 CCADLP COCCC[NH2+]CCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001152618180 800542480 /nfs/dbraw/zinc/54/24/80/800542480.db2.gz JXVDRBTWGXHGGU-AWEZNQCLSA-N 2 2 294.399 0.427 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2)s1 ZINC001153496339 800635176 /nfs/dbraw/zinc/63/51/76/800635176.db2.gz ZPMXPGVVNONHIO-UHFFFAOYSA-N 2 2 279.369 0.554 20 0 CCADLP CC[N@H+](CCO)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001153760605 800661235 /nfs/dbraw/zinc/66/12/35/800661235.db2.gz RQLLQVFSGWACPR-LLVKDONJSA-N 2 2 268.361 0.161 20 0 CCADLP CC[N@@H+](CCO)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001153760605 800661239 /nfs/dbraw/zinc/66/12/39/800661239.db2.gz RQLLQVFSGWACPR-LLVKDONJSA-N 2 2 268.361 0.161 20 0 CCADLP CC[N@H+](CCO)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001153760605 800661240 /nfs/dbraw/zinc/66/12/40/800661240.db2.gz RQLLQVFSGWACPR-LLVKDONJSA-N 2 2 268.361 0.161 20 0 CCADLP CC[N@@H+](CCO)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001153760605 800661243 /nfs/dbraw/zinc/66/12/43/800661243.db2.gz RQLLQVFSGWACPR-LLVKDONJSA-N 2 2 268.361 0.161 20 0 CCADLP c1[nH+]cn(-c2ncc3c(n2)C[NH2+]C3)c1C1CC[NH2+]CC1 ZINC001155057327 800901653 /nfs/dbraw/zinc/90/16/53/800901653.db2.gz CZYXJCJXZCBTGW-UHFFFAOYSA-N 3 2 270.340 0.733 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNc2nc(Cl)nc3c2C[NH2+]CC3)C1 ZINC001155192953 800928222 /nfs/dbraw/zinc/92/82/22/800928222.db2.gz AICGBAAGOKNWOY-VIFPVBQESA-N 2 2 297.790 0.518 20 0 CCADLP C[N@H+]1CCO[C@@H](CNc2nc(Cl)nc3c2C[NH2+]CC3)C1 ZINC001155192953 800928227 /nfs/dbraw/zinc/92/82/27/800928227.db2.gz AICGBAAGOKNWOY-VIFPVBQESA-N 2 2 297.790 0.518 20 0 CCADLP C[NH+](C)Cc1ccnc(NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC001155201491 800930825 /nfs/dbraw/zinc/93/08/25/800930825.db2.gz FVBZAJDFPMHVII-CYBMUJFWSA-N 2 2 264.373 0.886 20 0 CCADLP C[NH+](C)Cc1ccnc(NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC001155201491 800930828 /nfs/dbraw/zinc/93/08/28/800930828.db2.gz FVBZAJDFPMHVII-CYBMUJFWSA-N 2 2 264.373 0.886 20 0 CCADLP CC[N@H+](C[C@@H](C)O)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156012009 801094016 /nfs/dbraw/zinc/09/40/16/801094016.db2.gz XXCGGJQNZJPRQT-GHMZBOCLSA-N 2 2 268.361 0.160 20 0 CCADLP CC[N@@H+](C[C@@H](C)O)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156012009 801094023 /nfs/dbraw/zinc/09/40/23/801094023.db2.gz XXCGGJQNZJPRQT-GHMZBOCLSA-N 2 2 268.361 0.160 20 0 CCADLP Cc1nnc(NCC2([NH+](C)C)CC[NH+](C)CC2)nc1C ZINC001156188232 801125363 /nfs/dbraw/zinc/12/53/63/801125363.db2.gz RCGPKEAIVOICFM-UHFFFAOYSA-N 2 2 278.404 0.926 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Nc2cc(N(C)C)[nH+]c(C)n2)C[NH2+]1 ZINC001156240875 801137520 /nfs/dbraw/zinc/13/75/20/801137520.db2.gz XTOPBQAMLMLWII-UWVGGRQHSA-N 2 2 279.344 0.166 20 0 CCADLP CC[N@H+](CCO)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001156682980 801211123 /nfs/dbraw/zinc/21/11/23/801211123.db2.gz SAWJMLSNVDXCFO-GFCCVEGCSA-N 2 2 282.388 0.172 20 0 CCADLP CC[N@@H+](CCO)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001156682980 801211130 /nfs/dbraw/zinc/21/11/30/801211130.db2.gz SAWJMLSNVDXCFO-GFCCVEGCSA-N 2 2 282.388 0.172 20 0 CCADLP C[N@H+]1C[C@H]2CN(C(=O)c3ccc4[nH+]c(N)[nH]c4c3)C[C@H]2C1 ZINC001156969250 801275554 /nfs/dbraw/zinc/27/55/54/801275554.db2.gz CCQUPSAVKUKWCC-PHIMTYICSA-N 2 2 285.351 0.779 20 0 CCADLP C[N@@H+]1C[C@H]2CN(C(=O)c3ccc4[nH+]c(N)[nH]c4c3)C[C@H]2C1 ZINC001156969250 801275558 /nfs/dbraw/zinc/27/55/58/801275558.db2.gz CCQUPSAVKUKWCC-PHIMTYICSA-N 2 2 285.351 0.779 20 0 CCADLP CC[N@H+](CCF)[C@H](C)CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001157013174 801287114 /nfs/dbraw/zinc/28/71/14/801287114.db2.gz GHSVMRDGDLZEFH-OLZOCXBDSA-N 2 2 289.395 0.503 20 0 CCADLP CC[N@@H+](CCF)[C@H](C)CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001157013174 801287119 /nfs/dbraw/zinc/28/71/19/801287119.db2.gz GHSVMRDGDLZEFH-OLZOCXBDSA-N 2 2 289.395 0.503 20 0 CCADLP CC[NH+](CCF)[C@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001157013174 801287127 /nfs/dbraw/zinc/28/71/27/801287127.db2.gz GHSVMRDGDLZEFH-OLZOCXBDSA-N 2 2 289.395 0.503 20 0 CCADLP CC[NH+](CCF)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001157013174 801287133 /nfs/dbraw/zinc/28/71/33/801287133.db2.gz GHSVMRDGDLZEFH-OLZOCXBDSA-N 2 2 289.395 0.503 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCCC[NH2+]Cc1ccon1 ZINC001157257482 801333616 /nfs/dbraw/zinc/33/36/16/801333616.db2.gz RKCNMWKYTAIXLA-UHFFFAOYSA-N 2 2 277.328 0.626 20 0 CCADLP Cn1cc[nH+]c1CCNC(=O)[C@H]([NH3+])Cc1ccccc1F ZINC001157422736 801377832 /nfs/dbraw/zinc/37/78/32/801377832.db2.gz MLBCZAMGOJUSMP-CYBMUJFWSA-N 2 2 290.342 0.788 20 0 CCADLP Cn1cc[nH+]c1CCNC(=O)[C@@H]([NH3+])Cc1cccc(O)c1 ZINC001157423203 801378581 /nfs/dbraw/zinc/37/85/81/801378581.db2.gz OYPSAUFSEAMZEU-ZDUSSCGKSA-N 2 2 288.351 0.354 20 0 CCADLP COCC1CN(C(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)C1 ZINC001157522318 801405452 /nfs/dbraw/zinc/40/54/52/801405452.db2.gz QWHVTRVIOTVXOR-CYBMUJFWSA-N 2 2 263.341 0.364 20 0 CCADLP CC1([NH3+])CN(C(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)C1 ZINC001157629790 801440323 /nfs/dbraw/zinc/44/03/23/801440323.db2.gz SOXZFMKYPBXQJQ-LBPRGKRZSA-N 2 2 274.368 0.858 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC(F)(C2CC2)C1 ZINC001157703692 801458972 /nfs/dbraw/zinc/45/89/72/801458972.db2.gz RKIFNDXKLLPKRB-NSHDSACASA-N 2 2 266.320 0.250 20 0 CCADLP C[C@@H]1CC[C@@H](CO)CN1C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001157855801 801502945 /nfs/dbraw/zinc/50/29/45/801502945.db2.gz PZSBOVALJXHMAY-LALPHHSUSA-N 2 2 291.395 0.878 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccnc(C3CC3)n2)CC1 ZINC001157914996 801518325 /nfs/dbraw/zinc/51/83/25/801518325.db2.gz JNCKKFUQHTYEKM-UHFFFAOYSA-N 2 2 260.345 0.948 20 0 CCADLP CCNC(=O)c1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)nc1 ZINC001157915693 801520763 /nfs/dbraw/zinc/52/07/63/801520763.db2.gz GCJJBOHXTCKLQC-UHFFFAOYSA-N 2 2 290.371 0.425 20 0 CCADLP O=C([C@@H]1COCC[NH2+]1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157970085 801543629 /nfs/dbraw/zinc/54/36/29/801543629.db2.gz OVCGPWSITQWSIT-KBPBESRZSA-N 2 2 275.352 0.148 20 0 CCADLP CC(C)N(c1cc[nH+]c(N2CCOCC2)n1)[C@H]1CC[NH2+]C1 ZINC001158033697 801557180 /nfs/dbraw/zinc/55/71/80/801557180.db2.gz VTNJVIFYKKQJJY-ZDUSSCGKSA-N 2 2 291.399 0.890 20 0 CCADLP COc1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc(SC)n1 ZINC001158204575 801592625 /nfs/dbraw/zinc/59/26/25/801592625.db2.gz RFGWHRIGGSLHIS-MRVPVSSYSA-N 2 2 295.368 0.255 20 0 CCADLP COC(=O)c1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c(C)c1 ZINC001158204665 801592634 /nfs/dbraw/zinc/59/26/34/801592634.db2.gz SXYQKGXYGCGKRT-LLVKDONJSA-N 2 2 290.323 0.224 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncnc2cc(F)ccc21 ZINC001158203898 801593011 /nfs/dbraw/zinc/59/30/11/801593011.db2.gz RYIPLWGKACSNAJ-SNVBAGLBSA-N 2 2 287.298 0.817 20 0 CCADLP Cc1ccc2ncnc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)c2c1 ZINC001158203960 801593342 /nfs/dbraw/zinc/59/33/42/801593342.db2.gz KKRBAUFFUNAMTR-LLVKDONJSA-N 2 2 283.335 0.986 20 0 CCADLP Cc1cnnc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)c1 ZINC001158259591 801608204 /nfs/dbraw/zinc/60/82/04/801608204.db2.gz SGGSGOHIPHCTLH-GFCCVEGCSA-N 2 2 261.373 0.787 20 0 CCADLP Cc1cnnc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)c1 ZINC001158259591 801608211 /nfs/dbraw/zinc/60/82/11/801608211.db2.gz SGGSGOHIPHCTLH-GFCCVEGCSA-N 2 2 261.373 0.787 20 0 CCADLP CN(C)c1ccc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)nn1 ZINC001158258814 801608760 /nfs/dbraw/zinc/60/87/60/801608760.db2.gz JLEKVZGLSMMRRY-LBPRGKRZSA-N 2 2 290.415 0.544 20 0 CCADLP CN(C)c1ccc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)nn1 ZINC001158258814 801608762 /nfs/dbraw/zinc/60/87/62/801608762.db2.gz JLEKVZGLSMMRRY-LBPRGKRZSA-N 2 2 290.415 0.544 20 0 CCADLP Cc1nnc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)nc1C ZINC001158270592 801610244 /nfs/dbraw/zinc/61/02/44/801610244.db2.gz WBMPDETUJNDVKN-GFCCVEGCSA-N 2 2 276.388 0.490 20 0 CCADLP Cc1nnc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)nc1C ZINC001158270592 801610250 /nfs/dbraw/zinc/61/02/50/801610250.db2.gz WBMPDETUJNDVKN-GFCCVEGCSA-N 2 2 276.388 0.490 20 0 CCADLP CN(C)c1cc(N2CCO[C@H](C[NH+]3CCCC3)C2)nc[nH+]1 ZINC001158304885 801617308 /nfs/dbraw/zinc/61/73/08/801617308.db2.gz OJMOFEUNGJACEP-CYBMUJFWSA-N 2 2 291.399 0.844 20 0 CCADLP c1cc(N2CCOCC2)[nH+]c(N2CC[N@H+]3CC[C@H]3C2)c1 ZINC001158435027 801649652 /nfs/dbraw/zinc/64/96/52/801649652.db2.gz VBEMQPURYJKVIB-ZDUSSCGKSA-N 2 2 274.368 0.813 20 0 CCADLP c1cc(N2CCOCC2)[nH+]c(N2CC[N@@H+]3CC[C@H]3C2)c1 ZINC001158435027 801649654 /nfs/dbraw/zinc/64/96/54/801649654.db2.gz VBEMQPURYJKVIB-ZDUSSCGKSA-N 2 2 274.368 0.813 20 0 CCADLP COCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001158653456 801678708 /nfs/dbraw/zinc/67/87/08/801678708.db2.gz GPXUOURIOJDNHC-CYBMUJFWSA-N 2 2 294.399 0.912 20 0 CCADLP COCC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001158653456 801678711 /nfs/dbraw/zinc/67/87/11/801678711.db2.gz GPXUOURIOJDNHC-CYBMUJFWSA-N 2 2 294.399 0.912 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCCC[NH2+]CC[C@H]1CCOC1 ZINC001159537346 801832267 /nfs/dbraw/zinc/83/22/67/801832267.db2.gz VESVWXTXKAPYBL-ZDUSSCGKSA-N 2 2 294.399 0.865 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCCC[NH2+]CC[C@H]1CCOC1 ZINC001159537346 801832276 /nfs/dbraw/zinc/83/22/76/801832276.db2.gz VESVWXTXKAPYBL-ZDUSSCGKSA-N 2 2 294.399 0.865 20 0 CCADLP Cc1ncc(C[NH2+]CCCNC(=O)CCc2c[nH]c[nH+]2)o1 ZINC001159537339 801832473 /nfs/dbraw/zinc/83/24/73/801832473.db2.gz VAJWZVPUZUIMHE-UHFFFAOYSA-N 2 2 291.355 0.935 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCCC[NH2+]CC[C@@H]1CCOC1 ZINC001159537345 801832788 /nfs/dbraw/zinc/83/27/88/801832788.db2.gz VESVWXTXKAPYBL-CYBMUJFWSA-N 2 2 294.399 0.865 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCCC[NH2+]CC[C@@H]1CCOC1 ZINC001159537345 801832794 /nfs/dbraw/zinc/83/27/94/801832794.db2.gz VESVWXTXKAPYBL-CYBMUJFWSA-N 2 2 294.399 0.865 20 0 CCADLP OC[C@H]1C[NH2+]C[C@H]1Nc1cc(N2CCSCC2)[nH+]cn1 ZINC001159678946 801848831 /nfs/dbraw/zinc/84/88/31/801848831.db2.gz ALHXRLJWVJACLL-GHMZBOCLSA-N 2 2 295.412 0.022 20 0 CCADLP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1nc(C)[nH+]c2c1CCC2 ZINC001159755404 801864830 /nfs/dbraw/zinc/86/48/30/801864830.db2.gz CRPACZKVWGMINC-DGCLKSJQSA-N 2 2 290.367 0.837 20 0 CCADLP CC(C)N(CC1CC1)C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160482872 801948959 /nfs/dbraw/zinc/94/89/59/801948959.db2.gz BOLXHYZVQQLKOA-OCCSQVGLSA-N 2 2 251.374 0.585 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1Cc1ccccn1 ZINC001160544161 801967420 /nfs/dbraw/zinc/96/74/20/801967420.db2.gz HKDKRDGPMZAFEM-CABCVRRESA-N 2 2 299.378 0.908 20 0 CCADLP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001160688673 802001354 /nfs/dbraw/zinc/00/13/54/802001354.db2.gz FEHJNGDGPFTMCJ-GHMZBOCLSA-N 3 2 265.361 0.182 20 0 CCADLP [NH3+]C1(C(=O)N2CCC[C@H](c3ncc[nH]3)C2)CC[NH2+]CC1 ZINC001160694168 802003525 /nfs/dbraw/zinc/00/35/25/802003525.db2.gz RSTPDUXQQHDHFJ-NSHDSACASA-N 2 2 277.372 0.197 20 0 CCADLP [NH3+]CCSC[C@H]([NH3+])C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001160693731 802003571 /nfs/dbraw/zinc/00/35/71/802003571.db2.gz OYHDZPCFRPJANU-MNOVXSKESA-N 3 2 297.428 0.135 20 0 CCADLP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001160725868 802011653 /nfs/dbraw/zinc/01/16/53/802011653.db2.gz GJFUWXWIHRDESJ-AWEZNQCLSA-N 3 2 293.415 0.764 20 0 CCADLP CN(C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161058309 802080308 /nfs/dbraw/zinc/08/03/08/802080308.db2.gz RGPIMHXRSPVOTA-AVGNSLFASA-N 3 2 279.388 0.018 20 0 CCADLP CCOC(=O)C1(CC)CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC1 ZINC001161129350 802096541 /nfs/dbraw/zinc/09/65/41/802096541.db2.gz DOIWKLBOMZUECP-NEPJUHHUSA-N 2 2 297.399 0.258 20 0 CCADLP O=C(NCCC[NH2+]CCF)[C@H]1CCn2c[nH+]cc2C1 ZINC001161214528 802109159 /nfs/dbraw/zinc/10/91/59/802109159.db2.gz AZPSJWGSNKYPLF-NSHDSACASA-N 2 2 268.336 0.511 20 0 CCADLP COCC[NH2+]CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001161309719 802123933 /nfs/dbraw/zinc/12/39/33/802123933.db2.gz PPVBROBFVICVNI-GFCCVEGCSA-N 2 2 280.372 0.188 20 0 CCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCCC[NH2+]C[C@@H](C)O)C2 ZINC001161323092 802124711 /nfs/dbraw/zinc/12/47/11/802124711.db2.gz BZMFCGCNYWNUDS-PWSUYJOCSA-N 2 2 294.399 0.300 20 0 CCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCCC[NH2+]C[C@@H](C)O)CC2 ZINC001161323092 802124716 /nfs/dbraw/zinc/12/47/16/802124716.db2.gz BZMFCGCNYWNUDS-PWSUYJOCSA-N 2 2 294.399 0.300 20 0 CCADLP COC[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001161323371 802126304 /nfs/dbraw/zinc/12/63/04/802126304.db2.gz JQYJDUXORYCSJG-OLZOCXBDSA-N 2 2 294.399 0.576 20 0 CCADLP CCOCC[NH2+]CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001161323521 802127118 /nfs/dbraw/zinc/12/71/18/802127118.db2.gz MRIWTSKKFYQMQL-ZDUSSCGKSA-N 2 2 294.399 0.578 20 0 CCADLP [NH3+]C1CC[NH+](CCNc2cccc(Cl)[n+]2[O-])CC1 ZINC001161867538 802233697 /nfs/dbraw/zinc/23/36/97/802233697.db2.gz JAMGRNBCCIJPIS-UHFFFAOYSA-N 2 2 270.764 0.808 20 0 CCADLP CCOC(=O)c1nccnc1NCC[NH+]1CCC([NH3+])CC1 ZINC001161867158 802234218 /nfs/dbraw/zinc/23/42/18/802234218.db2.gz DEAGZIGUFXBYNL-UHFFFAOYSA-N 2 2 293.371 0.488 20 0 CCADLP Cc1nc(NCC[NH+]2CCC([NH3+])CC2)ncc1F ZINC001161867372 802234432 /nfs/dbraw/zinc/23/44/32/802234432.db2.gz GIEHTJPDBCWCIG-UHFFFAOYSA-N 2 2 253.325 0.759 20 0 CCADLP NC(=O)c1nc(Cl)cnc1NCC[NH+]1CCC([NH3+])CC1 ZINC001161867544 802234722 /nfs/dbraw/zinc/23/47/22/802234722.db2.gz JPUAHAZEFICVAW-UHFFFAOYSA-N 2 2 298.778 0.064 20 0 CCADLP [NH3+]C1CC[NH+](CCNc2ccc(Cl)c[n+]2[O-])CC1 ZINC001161870370 802235977 /nfs/dbraw/zinc/23/59/77/802235977.db2.gz HURGMZNDOROAOX-UHFFFAOYSA-N 2 2 270.764 0.808 20 0 CCADLP Cc1cc[nH+]c(NC[C@H]2C[NH2+]CC(C)(C)O2)c1C(N)=O ZINC001161954026 802258142 /nfs/dbraw/zinc/25/81/42/802258142.db2.gz JGWSQIKQVGADAA-SNVBAGLBSA-N 2 2 278.356 0.668 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCO1 ZINC001255673930 808421338 /nfs/dbraw/zinc/42/13/38/808421338.db2.gz IGBXCCQBBNDVJL-PIGZVRMJSA-N 2 2 282.384 0.876 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCO1 ZINC001255673930 808421339 /nfs/dbraw/zinc/42/13/39/808421339.db2.gz IGBXCCQBBNDVJL-PIGZVRMJSA-N 2 2 282.384 0.876 20 0 CCADLP COC(=O)[C@@H]1C[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCO1 ZINC001255673930 808421341 /nfs/dbraw/zinc/42/13/41/808421341.db2.gz IGBXCCQBBNDVJL-PIGZVRMJSA-N 2 2 282.384 0.876 20 0 CCADLP COC(=O)[C@@H]1C[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCO1 ZINC001255673930 808421344 /nfs/dbraw/zinc/42/13/44/808421344.db2.gz IGBXCCQBBNDVJL-PIGZVRMJSA-N 2 2 282.384 0.876 20 0 CCADLP CN(C)c1ccc(NCc2nnc3n2CCC[NH2+]C3)[nH+]c1 ZINC001163021992 802462785 /nfs/dbraw/zinc/46/27/85/802462785.db2.gz KMLVKPBQSUFINV-UHFFFAOYSA-N 2 2 287.371 0.845 20 0 CCADLP O=C1COc2c[nH+]c(N[C@H]3COCCC34C[NH2+]C4)cc2N1 ZINC001163064540 802470699 /nfs/dbraw/zinc/47/06/99/802470699.db2.gz DLPAONVENOSTNY-NSHDSACASA-N 2 2 290.323 0.203 20 0 CCADLP O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ccc(Cn3cc[nH+]c3)cc2)N1 ZINC001163252216 802519567 /nfs/dbraw/zinc/51/95/67/802519567.db2.gz UPWKKRYLNUJXSN-GOEBONIOSA-N 2 2 297.362 0.921 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001163283359 802527662 /nfs/dbraw/zinc/52/76/62/802527662.db2.gz MPEJGKVHBLKADR-HNNXBMFYSA-N 2 2 297.443 0.992 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001163283359 802527665 /nfs/dbraw/zinc/52/76/65/802527665.db2.gz MPEJGKVHBLKADR-HNNXBMFYSA-N 2 2 297.443 0.992 20 0 CCADLP Cc1cc(N(C(N)=[NH2+])c2cc3c(nn2)CC[NH2+]C3)n[nH]1 ZINC001163509405 802563863 /nfs/dbraw/zinc/56/38/63/802563863.db2.gz HJAFGWBIACEQNY-UHFFFAOYSA-N 2 2 272.316 0.185 20 0 CCADLP COc1cnc(NCC2([NH+](C)C)CC[NH+](C)CC2)cn1 ZINC001164211292 802688705 /nfs/dbraw/zinc/68/87/05/802688705.db2.gz OSKMOCXKCZVRTH-UHFFFAOYSA-N 2 2 279.388 0.923 20 0 CCADLP C[NH+]1CCN(c2cccc(N3CCCNC(=O)C3)[nH+]2)CC1 ZINC001164278797 802703356 /nfs/dbraw/zinc/70/33/56/802703356.db2.gz AVESGLCYZDLYOA-UHFFFAOYSA-N 2 2 289.383 0.160 20 0 CCADLP C[C@H]1CC[C@@H](C[NH3+])CN1c1cc(N2CCOCC2)[nH+]cn1 ZINC001164460450 802744235 /nfs/dbraw/zinc/74/42/35/802744235.db2.gz CZQYFROJLWVUKA-STQMWFEESA-N 2 2 291.399 0.877 20 0 CCADLP C[C@H]1CC[C@@H](C[NH3+])CN1c1cc(N2CCOCC2)nc[nH+]1 ZINC001164460450 802744240 /nfs/dbraw/zinc/74/42/40/802744240.db2.gz CZQYFROJLWVUKA-STQMWFEESA-N 2 2 291.399 0.877 20 0 CCADLP Cc1[nH+]c2c(n1-c1ncnc3c1ncn3C)CC[NH2+]CC2 ZINC001165351764 802826560 /nfs/dbraw/zinc/82/65/60/802826560.db2.gz IOCJRBFICXAGJS-UHFFFAOYSA-N 2 2 283.339 0.546 20 0 CCADLP Cc1[nH+]c2c(n1-c1cc(C(N)=O)cc(C)n1)CC[NH2+]CC2 ZINC001165356425 802826623 /nfs/dbraw/zinc/82/66/23/802826623.db2.gz PILSWBJXFXNRGV-UHFFFAOYSA-N 2 2 285.351 0.671 20 0 CCADLP CCOCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001166969442 803001734 /nfs/dbraw/zinc/00/17/34/803001734.db2.gz VENJISHEWYXJEJ-CHWSQXEVSA-N 2 2 294.399 0.656 20 0 CCADLP [NH3+]Cc1ncc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000720263071 803051815 /nfs/dbraw/zinc/05/18/15/803051815.db2.gz SZPAQCKGRGBMGE-QMMMGPOBSA-N 2 2 266.370 0.568 20 0 CCADLP [NH3+]Cc1ncc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000720263071 803051819 /nfs/dbraw/zinc/05/18/19/803051819.db2.gz SZPAQCKGRGBMGE-QMMMGPOBSA-N 2 2 266.370 0.568 20 0 CCADLP [NH3+]C[C@]1(O)CCC[N@H+](Cc2nc3ccccn3n2)CC1 ZINC001205240439 803130192 /nfs/dbraw/zinc/13/01/92/803130192.db2.gz KMSVOCXPVBKLQC-AWEZNQCLSA-N 2 2 275.356 0.405 20 0 CCADLP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2nc3ccccn3n2)CC1 ZINC001205240439 803130194 /nfs/dbraw/zinc/13/01/94/803130194.db2.gz KMSVOCXPVBKLQC-AWEZNQCLSA-N 2 2 275.356 0.405 20 0 CCADLP [NH3+]C[C@]1(O)CCC[N@H+](Cc2ncc(F)cn2)CC1 ZINC001205249668 803131798 /nfs/dbraw/zinc/13/17/98/803131798.db2.gz YLWKCAXUXLRWLJ-LBPRGKRZSA-N 2 2 254.309 0.291 20 0 CCADLP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ncc(F)cn2)CC1 ZINC001205249668 803131800 /nfs/dbraw/zinc/13/18/00/803131800.db2.gz YLWKCAXUXLRWLJ-LBPRGKRZSA-N 2 2 254.309 0.291 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2ccncc2F)C1 ZINC001205673828 803154028 /nfs/dbraw/zinc/15/40/28/803154028.db2.gz UOANQNXTFWMVPS-CYBMUJFWSA-N 2 2 253.321 0.896 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccncc2F)C1 ZINC001205673828 803154030 /nfs/dbraw/zinc/15/40/30/803154030.db2.gz UOANQNXTFWMVPS-CYBMUJFWSA-N 2 2 253.321 0.896 20 0 CCADLP COc1ccnc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)c1 ZINC001205688643 803155901 /nfs/dbraw/zinc/15/59/01/803155901.db2.gz JQXNIRWKZGNTML-CQSZACIVSA-N 2 2 265.357 0.766 20 0 CCADLP COc1ccnc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c1 ZINC001205688643 803155904 /nfs/dbraw/zinc/15/59/04/803155904.db2.gz JQXNIRWKZGNTML-CQSZACIVSA-N 2 2 265.357 0.766 20 0 CCADLP COC(=O)c1ccccc1C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206520872 803258452 /nfs/dbraw/zinc/25/84/52/803258452.db2.gz YDMHBUFWQVXPKM-AAEUAGOBSA-N 2 2 264.325 0.225 20 0 CCADLP COC(=O)c1ccccc1C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206520872 803258449 /nfs/dbraw/zinc/25/84/49/803258449.db2.gz YDMHBUFWQVXPKM-AAEUAGOBSA-N 2 2 264.325 0.225 20 0 CCADLP COCCC[NH2+]CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001206683897 803277837 /nfs/dbraw/zinc/27/78/37/803277837.db2.gz SFKNTQIULPPBRL-UHFFFAOYSA-N 2 2 294.399 0.817 20 0 CCADLP C[NH+](C)CCN1CC2(C1)C[NH+](C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001276498197 803293300 /nfs/dbraw/zinc/29/33/00/803293300.db2.gz SKVDPENXGXSVAA-OAHLLOKOSA-N 3 2 280.460 0.507 20 0 CCADLP C[NH+](C)CCN1CC2(C1)C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001276498197 803293304 /nfs/dbraw/zinc/29/33/04/803293304.db2.gz SKVDPENXGXSVAA-OAHLLOKOSA-N 3 2 280.460 0.507 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC(C[NH2+]CCCO)CC1 ZINC001206872732 803296852 /nfs/dbraw/zinc/29/68/52/803296852.db2.gz ROIZSEDPSUGYPG-UHFFFAOYSA-N 2 2 294.399 0.173 20 0 CCADLP COC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001207923893 803466560 /nfs/dbraw/zinc/46/65/60/803466560.db2.gz GAXFCTDEIQXALS-QWHCGFSZSA-N 2 2 294.399 0.958 20 0 CCADLP C[NH+](C)CCN1CC([NH+]2CCN(c3ccccn3)CC2)C1 ZINC001208128355 803493676 /nfs/dbraw/zinc/49/36/76/803493676.db2.gz CGLISRZEPGYMBV-UHFFFAOYSA-N 2 2 289.427 0.449 20 0 CCADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCO[C@@]3(CCOC3)C2)C1 ZINC001208608473 803529029 /nfs/dbraw/zinc/52/90/29/803529029.db2.gz TYLOXUINHCPWAG-KGLIPLIRSA-N 2 2 254.374 0.820 20 0 CCADLP C[N@H+]1CCC[C@@H](C[NH+]2CCO[C@@]3(CCOC3)C2)C1 ZINC001208608473 803529034 /nfs/dbraw/zinc/52/90/34/803529034.db2.gz TYLOXUINHCPWAG-KGLIPLIRSA-N 2 2 254.374 0.820 20 0 CCADLP C[NH+]1CCC[C@@H](C[N@@H+]2CCO[C@@]3(CCOC3)C2)C1 ZINC001208608473 803529039 /nfs/dbraw/zinc/52/90/39/803529039.db2.gz TYLOXUINHCPWAG-KGLIPLIRSA-N 2 2 254.374 0.820 20 0 CCADLP C[NH+]1CCC[C@@H](C[N@H+]2CCO[C@@]3(CCOC3)C2)C1 ZINC001208608473 803529042 /nfs/dbraw/zinc/52/90/42/803529042.db2.gz TYLOXUINHCPWAG-KGLIPLIRSA-N 2 2 254.374 0.820 20 0 CCADLP CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c[nH+]ccc1N ZINC001209731479 803626447 /nfs/dbraw/zinc/62/64/47/803626447.db2.gz XHLVTDNJDFGSJL-CHWSQXEVSA-N 2 2 260.341 0.689 20 0 CCADLP CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c[nH+]ccc1N ZINC001209731479 803626451 /nfs/dbraw/zinc/62/64/51/803626451.db2.gz XHLVTDNJDFGSJL-CHWSQXEVSA-N 2 2 260.341 0.689 20 0 CCADLP CCOCCC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209836406 803632189 /nfs/dbraw/zinc/63/21/89/803632189.db2.gz KBHHAJMCLKULCI-CYBMUJFWSA-N 2 2 294.399 0.959 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCF)C[C@H]1OC ZINC001213767257 803702846 /nfs/dbraw/zinc/70/28/46/803702846.db2.gz KQMYKCZYGTZNRX-VXGBXAGGSA-N 2 2 275.368 0.113 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCF)C[C@H]1OC ZINC001213767257 803702849 /nfs/dbraw/zinc/70/28/49/803702849.db2.gz KQMYKCZYGTZNRX-VXGBXAGGSA-N 2 2 275.368 0.113 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1OC ZINC001213767257 803702852 /nfs/dbraw/zinc/70/28/52/803702852.db2.gz KQMYKCZYGTZNRX-VXGBXAGGSA-N 2 2 275.368 0.113 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1OC ZINC001213767257 803702855 /nfs/dbraw/zinc/70/28/55/803702855.db2.gz KQMYKCZYGTZNRX-VXGBXAGGSA-N 2 2 275.368 0.113 20 0 CCADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1c[nH+]ccc1N ZINC001276713908 803757001 /nfs/dbraw/zinc/75/70/01/803757001.db2.gz UQDQGGJDCQWDJJ-HOTGVXAUSA-N 3 2 289.427 0.704 20 0 CCADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1c[nH+]ccc1N ZINC001276713908 803757009 /nfs/dbraw/zinc/75/70/09/803757009.db2.gz UQDQGGJDCQWDJJ-HOTGVXAUSA-N 3 2 289.427 0.704 20 0 CCADLP COCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215681110 803822723 /nfs/dbraw/zinc/82/27/23/803822723.db2.gz SIZLPWCEAISUPE-DGCLKSJQSA-N 2 2 280.372 0.425 20 0 CCADLP C[C@H]1C[NH+](CCc2nnc([C@@H]3C[C@H](O)C[NH2+]3)o2)C[C@H](C)O1 ZINC001217719303 803904067 /nfs/dbraw/zinc/90/40/67/803904067.db2.gz ZBQZVJBDGTWLTG-BJDJZHNGSA-N 2 2 296.371 0.117 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2nc(C3CC3)cs2)C1 ZINC001218500744 803966456 /nfs/dbraw/zinc/96/64/56/803966456.db2.gz GKXYFXUJCIOFRB-SFYZADRCSA-N 2 2 252.343 0.648 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccncc2Oc2ccccc2)C1 ZINC001218511680 803976883 /nfs/dbraw/zinc/97/68/83/803976883.db2.gz LUWGUKIHFFVNKE-RISCZKNCSA-N 2 2 298.346 0.924 20 0 CCADLP CCn1cc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)cn1 ZINC001218544665 803997773 /nfs/dbraw/zinc/99/77/73/803997773.db2.gz AZHMUVZDYQAACN-NSHDSACASA-N 2 2 262.317 0.145 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1cnc2c(cnn2C)c1 ZINC001218614121 804032915 /nfs/dbraw/zinc/03/29/15/804032915.db2.gz CXTIZOLUKYDZHN-LBPRGKRZSA-N 2 2 299.338 0.210 20 0 CCADLP CCOC(=O)c1cc(NC(=O)C2([NH3+])CC[NH2+]CC2)c[nH]1 ZINC001218649673 804059137 /nfs/dbraw/zinc/05/91/37/804059137.db2.gz GTDVPVYJTOIYOV-UHFFFAOYSA-N 2 2 280.328 0.211 20 0 CCADLP CC(C)Cn1cnc(NC(=O)C[NH2+]C2CC[NH2+]CC2)c1 ZINC001218748969 804108063 /nfs/dbraw/zinc/10/80/63/804108063.db2.gz RZUGYOSYCYFQEW-UHFFFAOYSA-N 2 2 279.388 0.819 20 0 CCADLP CC(C)Cn1cnc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c1 ZINC001218748484 804108446 /nfs/dbraw/zinc/10/84/46/804108446.db2.gz NWQHDFIKTPVOHE-ZJUUUORDSA-N 2 2 251.334 0.167 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cncc(OC(F)(F)F)c2)C1 ZINC001218793733 804122141 /nfs/dbraw/zinc/12/21/41/804122141.db2.gz HBMHBDAUFOADRK-MUWHJKNJSA-N 2 2 290.245 0.608 20 0 CCADLP N[C@@H](C[NH3+])C(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001218847723 804138416 /nfs/dbraw/zinc/13/84/16/804138416.db2.gz JOUOEROGXWFMBF-LBPRGKRZSA-N 2 2 259.313 0.156 20 0 CCADLP Cn1cc2cccc(NC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])c2n1 ZINC001218889545 804149073 /nfs/dbraw/zinc/14/90/73/804149073.db2.gz SEADZXJVHDJVGD-UWVGGRQHSA-N 2 2 259.313 0.059 20 0 CCADLP Cc1c2ccc(NC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)cc2nn1C ZINC001218889534 804149816 /nfs/dbraw/zinc/14/98/16/804149816.db2.gz RWOPDFGKXSUVBI-RNCFNFMXSA-N 2 2 273.340 0.509 20 0 CCADLP Cc1c2ccc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc2nn1C ZINC001218890165 804149929 /nfs/dbraw/zinc/14/99/29/804149929.db2.gz YATMWMPBXGBKTP-NSHDSACASA-N 2 2 261.329 0.496 20 0 CCADLP COc1cc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc2cccnc21 ZINC001219201484 804234126 /nfs/dbraw/zinc/23/41/26/804234126.db2.gz DFOQSCBSBLEYKZ-PWSUYJOCSA-N 2 2 286.335 0.871 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2c(F)cccc2OC2COC2)C1 ZINC001219382505 804292108 /nfs/dbraw/zinc/29/21/08/804292108.db2.gz RWUWGXAEQDNUSH-KCJUWKMLSA-N 2 2 295.314 0.231 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc(-c2cc(CO)on2)cc1 ZINC001219420628 804306014 /nfs/dbraw/zinc/30/60/14/804306014.db2.gz XHUGTWRAGCILRN-LBPRGKRZSA-N 2 2 290.323 0.449 20 0 CCADLP Nc1cccc2c1N(C(=O)[C@@]13CC[C@@H]([NH2+]1)[C@H]([NH3+])C3)CC2 ZINC001219440067 804313965 /nfs/dbraw/zinc/31/39/65/804313965.db2.gz RMRJMCJWZMRFNA-JMSVASOKSA-N 2 2 272.352 0.380 20 0 CCADLP Cc1cccnc1CNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001219564066 804351007 /nfs/dbraw/zinc/35/10/07/804351007.db2.gz QCPNNVCKMHEMDY-NSHDSACASA-N 2 2 259.313 0.299 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H](CNC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)C1 ZINC001219663765 804398006 /nfs/dbraw/zinc/39/80/06/804398006.db2.gz QWBDDLUIBFHDDP-ZOWXZIJZSA-N 3 2 290.411 0.621 20 0 CCADLP Cc1cc(C)c(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)c(=O)[nH]1 ZINC001219689607 804405022 /nfs/dbraw/zinc/40/50/22/804405022.db2.gz ZZADRKIRMNNNNU-LBPRGKRZSA-N 2 2 289.339 0.313 20 0 CCADLP O=C(NCC[C@@H]1C[NH2+]Cc2cccn2C1)C1(F)C[NH2+]C1 ZINC001219787338 804423734 /nfs/dbraw/zinc/42/37/34/804423734.db2.gz ATWKAWBPUAOFET-LLVKDONJSA-N 2 2 280.347 0.025 20 0 CCADLP COc1cc(CCNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc(OC)c1 ZINC001219908009 804445535 /nfs/dbraw/zinc/44/55/35/804445535.db2.gz NEGMCUDEULSITK-RISCZKNCSA-N 2 2 293.367 0.052 20 0 CCADLP O=C(NC[C@@H]1Cc2ccccc2O1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219925076 804450109 /nfs/dbraw/zinc/45/01/09/804450109.db2.gz FKAFOHIOBCVRGS-DVOMOZLQSA-N 2 2 287.363 0.058 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCCOc1ccccc1F ZINC001219936710 804451469 /nfs/dbraw/zinc/45/14/69/804451469.db2.gz QFNKBHVVGDXXHZ-GFCCVEGCSA-N 2 2 292.314 0.614 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H]2CCCCO2)cc1 ZINC001219978018 804463075 /nfs/dbraw/zinc/46/30/75/804463075.db2.gz ABVNMULMWIBEII-ZIAGYGMSSA-N 2 2 277.368 0.944 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC001219978458 804463418 /nfs/dbraw/zinc/46/34/18/804463418.db2.gz MYTASBXLCVTUQZ-JSGCOSHPSA-N 3 2 293.415 0.138 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001219978458 804463424 /nfs/dbraw/zinc/46/34/24/804463424.db2.gz MYTASBXLCVTUQZ-JSGCOSHPSA-N 3 2 293.415 0.138 20 0 CCADLP O=C(NCc1cnc2[nH]ccc2c1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220012957 804472162 /nfs/dbraw/zinc/47/21/62/804472162.db2.gz FDHBANBZYHQJOR-IUODEOHRSA-N 2 2 285.351 0.131 20 0 CCADLP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H]([NH3+])Cc1ccsc1 ZINC001220101425 804499868 /nfs/dbraw/zinc/49/98/68/804499868.db2.gz MXIGDMPYDZVJJH-JTQLQIEISA-N 3 2 283.401 0.079 20 0 CCADLP C[C@H](F)CC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220105974 804501151 /nfs/dbraw/zinc/50/11/51/804501151.db2.gz VFMOUWXULBXOKB-XQQFMLRXSA-N 2 2 298.362 0.183 20 0 CCADLP C[C@H](F)CC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220105974 804501158 /nfs/dbraw/zinc/50/11/58/804501158.db2.gz VFMOUWXULBXOKB-XQQFMLRXSA-N 2 2 298.362 0.183 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220158648 804521138 /nfs/dbraw/zinc/52/11/38/804521138.db2.gz CQPGEESXKXDSCW-UXIGCNINSA-N 3 2 291.399 0.318 20 0 CCADLP CCOC(=O)C1=C(NC(=O)C2([NH3+])CC[NH2+]CC2)CCCC1 ZINC001220216869 804539858 /nfs/dbraw/zinc/53/98/58/804539858.db2.gz BYQNGMMSQKTKRX-UHFFFAOYSA-N 2 2 295.383 0.575 20 0 CCADLP O=C(N[C@@H]1CCCC(F)(F)C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220309391 804569760 /nfs/dbraw/zinc/56/97/60/804569760.db2.gz XTANZKNMRLCRHJ-ZRUFSTJUSA-N 2 2 273.327 0.630 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c2ccccc21 ZINC001220331740 804574624 /nfs/dbraw/zinc/57/46/24/804574624.db2.gz CCXJWEZMTFEDSR-HYNSBDGHSA-N 2 2 259.353 0.898 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CC23CCOCC3)cc1 ZINC001220331867 804576915 /nfs/dbraw/zinc/57/69/15/804576915.db2.gz DQYHWFDZBPOMIJ-KBPBESRZSA-N 2 2 289.379 0.944 20 0 CCADLP C[C@@H](CC(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O)n1cc[nH+]c1 ZINC001220442104 804605189 /nfs/dbraw/zinc/60/51/89/804605189.db2.gz XPRDQIXBFXUWCR-YUTCNCBUSA-N 2 2 292.383 0.406 20 0 CCADLP C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O)n1cc[nH+]c1 ZINC001220442104 804605196 /nfs/dbraw/zinc/60/51/96/804605196.db2.gz XPRDQIXBFXUWCR-YUTCNCBUSA-N 2 2 292.383 0.406 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N[C@H](CO)C(F)(F)F)cc1 ZINC001220448127 804605917 /nfs/dbraw/zinc/60/59/17/804605917.db2.gz XVNYBXYVMSPUSK-NXEZZACHSA-N 2 2 291.273 0.298 20 0 CCADLP O=C(N[C@H]1CNc2ccccc2C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220599039 804636563 /nfs/dbraw/zinc/63/65/63/804636563.db2.gz KLCQLHQDFJJUHB-MYZSUADSSA-N 2 2 286.379 0.089 20 0 CCADLP COc1ccc2c(c1)[C@@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])CC2 ZINC001220636217 804640714 /nfs/dbraw/zinc/64/07/14/804640714.db2.gz ZYZVKEOCRIBXJS-IHRRRGAJSA-N 2 2 275.352 0.345 20 0 CCADLP CCOc1cc(CNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)ccc1O ZINC001220816281 804673032 /nfs/dbraw/zinc/67/30/32/804673032.db2.gz GNPTZRBBRPIRLX-MNOVXSKESA-N 2 2 279.340 0.096 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC001220896482 804695828 /nfs/dbraw/zinc/69/58/28/804695828.db2.gz NJMMJHCQAVQSTF-QWHCGFSZSA-N 3 2 262.357 0.127 20 0 CCADLP [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001220934721 804703006 /nfs/dbraw/zinc/70/30/06/804703006.db2.gz UPISWJAMLYRKOF-OLZOCXBDSA-N 3 2 291.399 0.233 20 0 CCADLP Cc1cc2c(cn1)[C@H](NC(=O)[C@@]13CC[C@@H]([NH2+]1)[C@H]([NH3+])C3)CC2 ZINC001220960427 804709043 /nfs/dbraw/zinc/70/90/43/804709043.db2.gz OCHKZMLIIRGFDI-KQTLUZQSSA-N 2 2 286.379 0.715 20 0 CCADLP CC(C)CC1(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CCOCC1 ZINC001221001492 804715051 /nfs/dbraw/zinc/71/50/51/804715051.db2.gz WUJLPQOWZGZBEW-ZDUSSCGKSA-N 2 2 294.399 0.991 20 0 CCADLP O=C(NC[C@@H]1CCCC(F)(F)C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221161956 804737530 /nfs/dbraw/zinc/73/75/30/804737530.db2.gz HOXQJMYWBIXATE-JTNHKYCSSA-N 2 2 287.354 0.880 20 0 CCADLP CCCCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221166021 804738693 /nfs/dbraw/zinc/73/86/93/804738693.db2.gz GEWOIBOAOXRQOT-KGLIPLIRSA-N 2 2 294.399 0.625 20 0 CCADLP CCCCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221166021 804738695 /nfs/dbraw/zinc/73/86/95/804738695.db2.gz GEWOIBOAOXRQOT-KGLIPLIRSA-N 2 2 294.399 0.625 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H]2CCOC[C@@H]2F)cc1 ZINC001221243433 804756260 /nfs/dbraw/zinc/75/62/60/804756260.db2.gz JHUSBSLAYROUAQ-YNEHKIRRSA-N 2 2 281.331 0.502 20 0 CCADLP O=C(N[C@@H]1CCCc2cnccc21)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221292044 804767765 /nfs/dbraw/zinc/76/77/65/804767765.db2.gz CYXCLPNSAMZCQM-XPKDYRNWSA-N 2 2 286.379 0.527 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC2(Cc3ccc(O)cc3)CC2)C1 ZINC001221329073 804778716 /nfs/dbraw/zinc/77/87/16/804778716.db2.gz HZLRZRYYVDMEMM-YPMHNXCESA-N 2 2 275.352 0.273 20 0 CCADLP CCCC(C[NH3+])(CCC)NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001221373503 804791807 /nfs/dbraw/zinc/79/18/07/804791807.db2.gz JWPCNZPIPDYJLC-UHFFFAOYSA-N 3 2 270.421 0.481 20 0 CCADLP CC(C)(C)OC[C@H]([NH3+])C(=O)NCCOc1cc[nH+]cc1 ZINC001221394163 804798681 /nfs/dbraw/zinc/79/86/81/804798681.db2.gz XLMXVJWDBLIPOU-LBPRGKRZSA-N 2 2 281.356 0.719 20 0 CCADLP [NH3+][C@H](C(=O)NCCOc1cc[nH+]cc1)C1CCC(O)CC1 ZINC001221394019 804799041 /nfs/dbraw/zinc/79/90/41/804799041.db2.gz UPEDNDQBDNODFK-YIZWMMSDSA-N 2 2 293.367 0.455 20 0 CCADLP [NH3+]CCCC[C@H]([NH3+])CC(=O)NCCOc1cc[nH+]cc1 ZINC001221393535 804799299 /nfs/dbraw/zinc/79/92/99/804799299.db2.gz GRFPKKMZDAGBEO-LBPRGKRZSA-N 3 2 280.372 0.423 20 0 CCADLP O=C(C[C@@H]1CCC[NH2+]C1)NCCOc1cc[nH+]cc1 ZINC001221394141 804799409 /nfs/dbraw/zinc/79/94/09/804799409.db2.gz WUUHHMDXGHUMSU-LBPRGKRZSA-N 2 2 263.341 0.966 20 0 CCADLP C[C@H](O)CCC[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222098811 804868746 /nfs/dbraw/zinc/86/87/46/804868746.db2.gz QEDUAZLKSMRFEQ-KBPBESRZSA-N 2 2 294.399 0.625 20 0 CCADLP [NH3+][C@H]1NC(CN2CCC[C@]23CCC[NH2+]C3)=CS1 ZINC001222232149 804883911 /nfs/dbraw/zinc/88/39/11/804883911.db2.gz SETWHVKHOPHADA-RYUDHWBXSA-N 2 2 254.403 0.625 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC1CC[NH+](CCCO)CC1 ZINC001223420844 804969811 /nfs/dbraw/zinc/96/98/11/804969811.db2.gz YGVNDOODXROEPJ-UHFFFAOYSA-N 2 2 294.399 0.553 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC1CC[NH+](CCCO)CC1 ZINC001223420844 804969817 /nfs/dbraw/zinc/96/98/17/804969817.db2.gz YGVNDOODXROEPJ-UHFFFAOYSA-N 2 2 294.399 0.553 20 0 CCADLP CC[NH2+]C1(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001277102438 805196889 /nfs/dbraw/zinc/19/68/89/805196889.db2.gz VAJROBDESQQCPG-LLVKDONJSA-N 2 2 262.357 0.704 20 0 CCADLP C[C@H](O)C[NH+]1CCC(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001229558920 805542822 /nfs/dbraw/zinc/54/28/22/805542822.db2.gz KOCQROYXIRRMTG-RYUDHWBXSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@H](O)C[NH+]1CCC(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001229558920 805542832 /nfs/dbraw/zinc/54/28/32/805542832.db2.gz KOCQROYXIRRMTG-RYUDHWBXSA-N 2 2 294.399 0.550 20 0 CCADLP COCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCn2cc[nH+]c2)C1 ZINC001278389979 807060437 /nfs/dbraw/zinc/06/04/37/807060437.db2.gz BKPLULNWWNSBSR-QWHCGFSZSA-N 2 2 280.372 0.499 20 0 CCADLP O[C@@H](C[NH2+]C[C@H]1CCC[NH2+]1)COc1ccc(F)cc1 ZINC001245983055 807107035 /nfs/dbraw/zinc/10/70/35/807107035.db2.gz RQBBXGFIEQBPPX-OLZOCXBDSA-N 2 2 268.332 0.907 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H](O)COCc1ccco1 ZINC001245986604 807108295 /nfs/dbraw/zinc/10/82/95/807108295.db2.gz YMOGSYXQAJVFIL-YRGRVCCFSA-N 2 2 268.357 0.745 20 0 CCADLP COc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC001246011870 807114317 /nfs/dbraw/zinc/11/43/17/807114317.db2.gz WPLNKLZKPMOTMR-CHWSQXEVSA-N 2 2 280.368 0.777 20 0 CCADLP O[C@@H](C[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21)c1ccccc1 ZINC001246027505 807125637 /nfs/dbraw/zinc/12/56/37/807125637.db2.gz XLXVYUNWFQNXEU-JYJNAYRXSA-N 2 2 275.396 0.746 20 0 CCADLP O[C@@H](C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21)c1ccccc1 ZINC001246027505 807125640 /nfs/dbraw/zinc/12/56/40/807125640.db2.gz XLXVYUNWFQNXEU-JYJNAYRXSA-N 2 2 275.396 0.746 20 0 CCADLP [NH3+][C@]12CC[C@@H]1C[N@H+](C[C@@H](O)COc1cccc(F)c1)C2 ZINC001246044871 807131728 /nfs/dbraw/zinc/13/17/28/807131728.db2.gz HOUYOPLPJPVYJA-KYOSRNDESA-N 2 2 280.343 0.989 20 0 CCADLP [NH3+][C@]12CC[C@@H]1C[N@@H+](C[C@@H](O)COc1cccc(F)c1)C2 ZINC001246044871 807131735 /nfs/dbraw/zinc/13/17/35/807131735.db2.gz HOUYOPLPJPVYJA-KYOSRNDESA-N 2 2 280.343 0.989 20 0 CCADLP C[C@H]1CC[C@H](C[NH2+]C2CCS(=O)(=O)CC2)[NH2+]C1 ZINC001246110437 807155123 /nfs/dbraw/zinc/15/51/23/807155123.db2.gz ILUZQURIBQHDND-CMPLNLGQSA-N 2 2 260.403 0.541 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]C[C@@H]2[C@H](N[C@@H]3CCCC[NH2+]C3)CC[C@@H]21 ZINC001246151171 807168766 /nfs/dbraw/zinc/16/87/66/807168766.db2.gz PGBDAVCOYUTWPF-FQKPHLNHSA-N 2 2 295.427 0.648 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)C[NH2+]1 ZINC001246157072 807171351 /nfs/dbraw/zinc/17/13/51/807171351.db2.gz PQJYKNDHJXEUAP-IKOXMDCHSA-N 3 2 253.390 0.341 20 0 CCADLP C1CC[C@@]2(C[NH2+]CCO2)[C@@H]([NH2+]C2CC[NH2+]CC2)C1 ZINC001246159745 807172671 /nfs/dbraw/zinc/17/26/71/807172671.db2.gz JZKOSMDGLHAPKI-UONOGXRCSA-N 3 2 253.390 0.629 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[NH2+]2)CN1 ZINC001246169792 807173341 /nfs/dbraw/zinc/17/33/41/807173341.db2.gz OCCPWGUMPPIAMA-AVGNSLFASA-N 2 2 269.389 0.402 20 0 CCADLP C(C[NH+]1CCCCCC1)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246174601 807175517 /nfs/dbraw/zinc/17/55/17/807175517.db2.gz WFAXSRWFUGDVLF-CQSZACIVSA-N 3 2 266.433 0.546 20 0 CCADLP COC(=O)[C@@H]1C[C@H](NC2(C(F)(F)F)CC[NH2+]CC2)C[NH2+]1 ZINC001246259859 807200240 /nfs/dbraw/zinc/20/02/40/807200240.db2.gz IYQAYZKTBJXGNE-IUCAKERBSA-N 2 2 295.305 0.164 20 0 CCADLP CC[C@@]1(C(=O)OC)C[C@@H](NC[C@@H]2CCCC[NH2+]2)C[NH2+]1 ZINC001246291394 807209704 /nfs/dbraw/zinc/20/97/04/807209704.db2.gz UGJRHONWJVKKIS-SCRDCRAPSA-N 2 2 269.389 0.402 20 0 CCADLP CCC[C@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C(=O)OC ZINC001246321986 807221028 /nfs/dbraw/zinc/22/10/28/807221028.db2.gz FMVJRJVRHOAKMO-QWRGUYRKSA-N 2 2 255.362 0.012 20 0 CCADLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2-n2cnnn2)C[NH2+]1 ZINC001246320066 807221141 /nfs/dbraw/zinc/22/11/41/807221141.db2.gz ZIMCUPKMOBWWKN-DGCLKSJQSA-N 2 2 272.356 0.892 20 0 CCADLP [NH3+]CCC(=O)NCCc1c[nH+]cn1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246322006 807221689 /nfs/dbraw/zinc/22/16/89/807221689.db2.gz GHEFKEKDOPZBOL-ONXXMXGDSA-N 3 2 291.399 0.346 20 0 CCADLP C[C@H]1CC[C@H]([NH2+]CCOc2ccc(C(N)=O)cc2)C[NH2+]1 ZINC001246328319 807224108 /nfs/dbraw/zinc/22/41/08/807224108.db2.gz LACAVRVMZHRXCU-AAEUAGOBSA-N 2 2 277.368 0.894 20 0 CCADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCN(C(=O)C3CCOCC3)C2)C[NH2+]1 ZINC001246361401 807233218 /nfs/dbraw/zinc/23/32/18/807233218.db2.gz OALFQMJEGWRZAE-YUELXQCFSA-N 2 2 295.427 0.744 20 0 CCADLP CCC1([NH2+][C@@H]2CCC[NH2+]C2)CCS(=O)(=O)CC1 ZINC001246389346 807240506 /nfs/dbraw/zinc/24/05/06/807240506.db2.gz GWHDRQBLFUSXEX-LLVKDONJSA-N 2 2 260.403 0.685 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](C3COC3)CC2)C[NH2+]1 ZINC001246465012 807257317 /nfs/dbraw/zinc/25/73/17/807257317.db2.gz HSPORXSOZYPHOF-OCCSQVGLSA-N 3 2 267.417 0.827 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](C3COC3)CC2)CN1 ZINC001246465012 807257326 /nfs/dbraw/zinc/25/73/26/807257326.db2.gz HSPORXSOZYPHOF-OCCSQVGLSA-N 2 2 267.417 0.827 20 0 CCADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246480768 807261777 /nfs/dbraw/zinc/26/17/77/807261777.db2.gz YXFJYJQIPYGRNZ-HOTGVXAUSA-N 3 2 286.423 0.466 20 0 CCADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246480768 807261783 /nfs/dbraw/zinc/26/17/83/807261783.db2.gz YXFJYJQIPYGRNZ-HOTGVXAUSA-N 3 2 286.423 0.466 20 0 CCADLP c1cc(OCC[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)cc[nH+]1 ZINC001246504822 807268076 /nfs/dbraw/zinc/26/80/76/807268076.db2.gz TWUOUKUGNLXIEB-GFCCVEGCSA-N 3 2 262.357 0.144 20 0 CCADLP CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2CCC[NH2+]CC2)CO1 ZINC001246525970 807274455 /nfs/dbraw/zinc/27/44/55/807274455.db2.gz UPYUGWBFRKSBKN-VXGBXAGGSA-N 2 2 256.346 0.392 20 0 CCADLP CCOC(=O)[C@H]1CC[C@@H]([N@H+]2CCC[NH2+]CC2)CO1 ZINC001246525970 807274457 /nfs/dbraw/zinc/27/44/57/807274457.db2.gz UPYUGWBFRKSBKN-VXGBXAGGSA-N 2 2 256.346 0.392 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N2CC[NH+](C3CCC3)CC2)C[NH2+]1 ZINC001246544851 807279028 /nfs/dbraw/zinc/27/90/28/807279028.db2.gz CRFWTHGOYSPNHN-STQMWFEESA-N 2 2 267.373 0.060 20 0 CCADLP CC[C@@H]1C[C@H]([N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C[C@H](CC)[NH2+]1 ZINC001246646301 807345255 /nfs/dbraw/zinc/34/52/55/807345255.db2.gz XAPUFYVHFMIVHG-FXUDXRNXSA-N 3 2 280.460 0.933 20 0 CCADLP CC[C@@H]1C[C@H]([N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C[C@H](CC)[NH2+]1 ZINC001246646301 807345263 /nfs/dbraw/zinc/34/52/63/807345263.db2.gz XAPUFYVHFMIVHG-FXUDXRNXSA-N 3 2 280.460 0.933 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N2CC[NH+](CC(C)C)CC2)C[NH2+]1 ZINC001246694209 807356134 /nfs/dbraw/zinc/35/61/34/807356134.db2.gz MDXDJAPDDRYUFN-STQMWFEESA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)C[NH2+]1 ZINC001246749693 807369948 /nfs/dbraw/zinc/36/99/48/807369948.db2.gz SHOYFHDNCNIWPG-LVQVYYBASA-N 3 2 280.460 0.837 20 0 CCADLP C[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)C[NH2+]1 ZINC001246749693 807369956 /nfs/dbraw/zinc/36/99/56/807369956.db2.gz SHOYFHDNCNIWPG-LVQVYYBASA-N 3 2 280.460 0.837 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N2CC[NH+](C3CCCC3)CC2)C[NH2+]1 ZINC001246779298 807376507 /nfs/dbraw/zinc/37/65/07/807376507.db2.gz RTGQCOSYWAQVFP-KBPBESRZSA-N 2 2 281.400 0.450 20 0 CCADLP CCCC[NH+]1CCN([C@H]2C[NH2+][C@H](C(=O)OC)C2)CC1 ZINC001246789546 807381096 /nfs/dbraw/zinc/38/10/96/807381096.db2.gz LECVPLFZXDXDIQ-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H]1CC[C@@H](N2CC[NH+](C3CC[NH2+]CC3)CC2)C[NH2+]1 ZINC001246795579 807382768 /nfs/dbraw/zinc/38/27/68/807382768.db2.gz MXGNKDPRRZGDBJ-DZGCQCFKSA-N 3 2 266.433 0.497 20 0 CCADLP C[C@H]1CC[C@@H](N2CC[N@H+](CC(N)=O)C(C)(C)C2)C[NH2+]1 ZINC001246820951 807395286 /nfs/dbraw/zinc/39/52/86/807395286.db2.gz RJYCGCIEKQZYFV-NWDGAFQWSA-N 2 2 268.405 0.008 20 0 CCADLP C[C@H]1CC[C@@H](N2CC[N@@H+](CC(N)=O)C(C)(C)C2)C[NH2+]1 ZINC001246820951 807395294 /nfs/dbraw/zinc/39/52/94/807395294.db2.gz RJYCGCIEKQZYFV-NWDGAFQWSA-N 2 2 268.405 0.008 20 0 CCADLP C[C@H]1C[C@H](N2CC([N@@H+]3CCOC(C)(C)C3)C2)CC[NH2+]1 ZINC001246845890 807403920 /nfs/dbraw/zinc/40/39/20/807403920.db2.gz MXOZFCWMKSISMR-QWHCGFSZSA-N 2 2 267.417 0.922 20 0 CCADLP C[C@H]1C[C@H](N2CC([N@H+]3CCOC(C)(C)C3)C2)CC[NH2+]1 ZINC001246845890 807403924 /nfs/dbraw/zinc/40/39/24/807403924.db2.gz MXOZFCWMKSISMR-QWHCGFSZSA-N 2 2 267.417 0.922 20 0 CCADLP C[C@H]1C[C@H]([NH+]2CCN(CC[NH+]3CCCC3)CC2)CC[NH2+]1 ZINC001246857839 807409140 /nfs/dbraw/zinc/40/91/40/807409140.db2.gz IPGPRRWPSAIIDX-JKSUJKDBSA-N 3 2 280.460 0.840 20 0 CCADLP CCOC(=O)[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]2C[NH3+])CCN1 ZINC001246918906 807428269 /nfs/dbraw/zinc/42/82/69/807428269.db2.gz YNPHGJSEALPNEZ-TUAOUCFPSA-N 2 2 255.362 0.093 20 0 CCADLP CCOC(=O)[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]2C[NH3+])CCN1 ZINC001246918906 807428272 /nfs/dbraw/zinc/42/82/72/807428272.db2.gz YNPHGJSEALPNEZ-TUAOUCFPSA-N 2 2 255.362 0.093 20 0 CCADLP CN1CC2(CC1=O)CC[NH+]([C@H]1CCC[NH2+]C1)CC2 ZINC001246922413 807429379 /nfs/dbraw/zinc/42/93/79/807429379.db2.gz LKHIZIOBSLJXFA-LBPRGKRZSA-N 2 2 251.374 0.683 20 0 CCADLP CCOC1CCC([N@@H+]2C[C@@H]([NH3+])[C@@H](C(=O)OC)C2)CC1 ZINC001246935823 807434099 /nfs/dbraw/zinc/43/40/99/807434099.db2.gz YWOJDFGIADRVGN-IFWUJCSASA-N 2 2 270.373 0.766 20 0 CCADLP CCOC1CCC([N@H+]2C[C@@H]([NH3+])[C@@H](C(=O)OC)C2)CC1 ZINC001246935823 807434102 /nfs/dbraw/zinc/43/41/02/807434102.db2.gz YWOJDFGIADRVGN-IFWUJCSASA-N 2 2 270.373 0.766 20 0 CCADLP COC(=O)CC1CCC([N@H+]2C[C@@H](C(=O)OC)[C@H]([NH3+])C2)CC1 ZINC001246935860 807434219 /nfs/dbraw/zinc/43/42/19/807434219.db2.gz ZGSCFQOKQHMMKZ-FIYWTHMPSA-N 2 2 298.383 0.540 20 0 CCADLP COC(=O)CC1CCC([N@@H+]2C[C@@H](C(=O)OC)[C@H]([NH3+])C2)CC1 ZINC001246935860 807434224 /nfs/dbraw/zinc/43/42/24/807434224.db2.gz ZGSCFQOKQHMMKZ-FIYWTHMPSA-N 2 2 298.383 0.540 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)C[C@H]1[NH3+] ZINC001246935007 807434695 /nfs/dbraw/zinc/43/46/95/807434695.db2.gz WWRYSICGEOFTDW-UONOGXRCSA-N 3 2 295.427 0.731 20 0 CCADLP COC(=O)[C@H]1C[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C[C@H]1[NH3+] ZINC001246935007 807434701 /nfs/dbraw/zinc/43/47/01/807434701.db2.gz WWRYSICGEOFTDW-UONOGXRCSA-N 3 2 295.427 0.731 20 0 CCADLP COc1cnc(N2CC[NH+]([C@H]3CC[NH2+][C@H](C)C3)CC2)nc1 ZINC001246957898 807440371 /nfs/dbraw/zinc/44/03/71/807440371.db2.gz DTMDGPSLGWFCPR-OLZOCXBDSA-N 2 2 291.399 0.748 20 0 CCADLP C[C@H]1CC[C@@H]([NH+]2CCC3(CCC(=O)N3)CC2)C[NH2+]1 ZINC001246970166 807443392 /nfs/dbraw/zinc/44/33/92/807443392.db2.gz XTOSWGALWHHMJO-NWDGAFQWSA-N 2 2 251.374 0.872 20 0 CCADLP CC(C)[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246975949 807444611 /nfs/dbraw/zinc/44/46/11/807444611.db2.gz UONSKZZNLLPTSN-OAHLLOKOSA-N 3 2 280.460 0.885 20 0 CCADLP CC(C)[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246975949 807444615 /nfs/dbraw/zinc/44/46/15/807444615.db2.gz UONSKZZNLLPTSN-OAHLLOKOSA-N 3 2 280.460 0.885 20 0 CCADLP COc1cc(-c2noc(C[C@@H]([NH3+])C[NH3+])n2)ccc1F ZINC001249128485 807544661 /nfs/dbraw/zinc/54/46/61/807544661.db2.gz DGQYTLKZUJDVCE-MRVPVSSYSA-N 2 2 266.276 0.713 20 0 CCADLP CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001075962416 815128858 /nfs/dbraw/zinc/12/88/58/815128858.db2.gz JYSIRWUCDIMHGV-KCQAQPDRSA-N 2 2 288.395 0.998 20 0 CCADLP CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001075962416 815128861 /nfs/dbraw/zinc/12/88/61/815128861.db2.gz JYSIRWUCDIMHGV-KCQAQPDRSA-N 2 2 288.395 0.998 20 0 CCADLP CCN(CCn1cc[nH+]c1)C(=S)NCC[NH+](C)C ZINC001249836929 807573655 /nfs/dbraw/zinc/57/36/55/807573655.db2.gz MCXGGSFPBNTHHC-UHFFFAOYSA-N 2 2 269.418 0.641 20 0 CCADLP CC(=O)Nc1cc(NC[C@H](O)C[NH+]2CCOCC2)cc[nH+]1 ZINC001251007316 807638655 /nfs/dbraw/zinc/63/86/55/807638655.db2.gz UYIMSOCVFFVASG-ZDUSSCGKSA-N 2 2 294.355 0.145 20 0 CCADLP CCC[NH+](CCC)CCNC[C@@H](O)C[NH+]1CCOCC1 ZINC001251033017 807649500 /nfs/dbraw/zinc/64/95/00/807649500.db2.gz JEJFYMMZLABKDO-OAHLLOKOSA-N 2 2 287.448 0.391 20 0 CCADLP COC(=O)[C@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001252427859 807842470 /nfs/dbraw/zinc/84/24/70/807842470.db2.gz LIUVUWKUXUKEFN-LLVKDONJSA-N 2 2 253.302 0.054 20 0 CCADLP COCC[N@@H+](C[C@H](O)COC(C)C)C1CC[NH+](C)CC1 ZINC001252674052 807936746 /nfs/dbraw/zinc/93/67/46/807936746.db2.gz AWYCRYIYIZGRAG-HNNXBMFYSA-N 2 2 288.432 0.815 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+]C[C@@H](O)c1ccco1 ZINC001253175393 808016718 /nfs/dbraw/zinc/01/67/18/808016718.db2.gz JUEIXJQPRIZGEV-NWDGAFQWSA-N 2 2 256.346 0.605 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001253188268 808024134 /nfs/dbraw/zinc/02/41/34/808024134.db2.gz UJUMNIPOESNOJU-FRRDWIJNSA-N 2 2 292.370 0.903 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001253188268 808024139 /nfs/dbraw/zinc/02/41/39/808024139.db2.gz UJUMNIPOESNOJU-FRRDWIJNSA-N 2 2 292.370 0.903 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)C(N)=O ZINC001253405863 808060457 /nfs/dbraw/zinc/06/04/57/808060457.db2.gz SXDMHCUJPMMNLZ-KBPBESRZSA-N 2 2 293.411 0.422 20 0 CCADLP C[NH+]1CCC([NH2+]C[C@H](O)C(=O)OC(C)(C)C)CC1 ZINC001253665574 808105139 /nfs/dbraw/zinc/10/51/39/808105139.db2.gz HVTMSMYJTZEBGI-NSHDSACASA-N 2 2 258.362 0.373 20 0 CCADLP C[NH+](C)Cc1cn(C[C@@H]2CC3(CO2)CC[NH2+]CC3)nn1 ZINC001254063921 808174388 /nfs/dbraw/zinc/17/43/88/808174388.db2.gz UOWGYCNUBPBBDV-ZDUSSCGKSA-N 2 2 279.388 0.498 20 0 CCADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2COC[C@H]2[NH3+])CC1=O ZINC001254234017 808197076 /nfs/dbraw/zinc/19/70/76/808197076.db2.gz RZKYIYVQXAPUCN-GMTAPVOTSA-N 2 2 299.371 0.228 20 0 CCADLP CCOC(=O)C[NH+]1CCC(N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC001254408964 808236536 /nfs/dbraw/zinc/23/65/36/808236536.db2.gz QAEAPQOZYHAJSM-HNNXBMFYSA-N 2 2 295.427 0.794 20 0 CCADLP CCOC(=O)C[NH+]1CCC(N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC001254408964 808236538 /nfs/dbraw/zinc/23/65/38/808236538.db2.gz QAEAPQOZYHAJSM-HNNXBMFYSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@@H+]1CCC[C@H]([NH+]2CCO[C@@H]3C[C@@H](CO)C[C@H]32)CC1 ZINC001254518679 808251888 /nfs/dbraw/zinc/25/18/88/808251888.db2.gz CZCKYPUPQMXHHE-BYNSBNAKSA-N 2 2 268.401 0.942 20 0 CCADLP C[N@H+]1CCC[C@H]([NH+]2CCO[C@@H]3C[C@@H](CO)C[C@H]32)CC1 ZINC001254518679 808251895 /nfs/dbraw/zinc/25/18/95/808251895.db2.gz CZCKYPUPQMXHHE-BYNSBNAKSA-N 2 2 268.401 0.942 20 0 CCADLP C[NH+]1CCC[C@H]([N@@H+]2CCO[C@@H]3C[C@@H](CO)C[C@H]32)CC1 ZINC001254518679 808251900 /nfs/dbraw/zinc/25/19/00/808251900.db2.gz CZCKYPUPQMXHHE-BYNSBNAKSA-N 2 2 268.401 0.942 20 0 CCADLP C[NH+]1CCC[C@H]([N@H+]2CCO[C@@H]3C[C@@H](CO)C[C@H]32)CC1 ZINC001254518679 808251905 /nfs/dbraw/zinc/25/19/05/808251905.db2.gz CZCKYPUPQMXHHE-BYNSBNAKSA-N 2 2 268.401 0.942 20 0 CCADLP CN1C(=O)CC[C@H]1C[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254840017 808285090 /nfs/dbraw/zinc/28/50/90/808285090.db2.gz AAUNNCPYVUGLPS-STQMWFEESA-N 2 2 251.374 0.681 20 0 CCADLP CC(=O)N1CC[C@@H]([NH2+][C@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254849003 808286864 /nfs/dbraw/zinc/28/68/64/808286864.db2.gz QJQZBUMOOVLTQS-KGLIPLIRSA-N 2 2 251.374 0.681 20 0 CCADLP C[NH+]1CCN(C2C[NH+](C3C[C@@H]4CC(=O)C[C@H]4C3)C2)CC1 ZINC001254965680 808303747 /nfs/dbraw/zinc/30/37/47/808303747.db2.gz ZNBMFQBHUSCICN-CHWSQXEVSA-N 2 2 277.412 0.676 20 0 CCADLP NC(=O)[C@H](CO)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255388781 808351637 /nfs/dbraw/zinc/35/16/37/808351637.db2.gz HLWAWWPDBKFONX-CABCVRRESA-N 2 2 291.395 0.477 20 0 CCADLP NC(=O)[C@H](CO)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255388781 808351646 /nfs/dbraw/zinc/35/16/46/808351646.db2.gz HLWAWWPDBKFONX-CABCVRRESA-N 2 2 291.395 0.477 20 0 CCADLP CC[N@@H+]1CCO[C@@H]2C[NH+]([C@@H]3CCCN(C)C3)C[C@@H]2C1 ZINC001255484609 808388160 /nfs/dbraw/zinc/38/81/60/808388160.db2.gz ASOCAYWUIXEVIS-RRFJBIMHSA-N 2 2 267.417 0.733 20 0 CCADLP CC[N@H+]1CCO[C@@H]2C[NH+]([C@@H]3CCCN(C)C3)C[C@@H]2C1 ZINC001255484609 808388173 /nfs/dbraw/zinc/38/81/73/808388173.db2.gz ASOCAYWUIXEVIS-RRFJBIMHSA-N 2 2 267.417 0.733 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@@H+]([C@@H]3CCCN(C)C3)C[C@@H]2C1 ZINC001255484609 808388180 /nfs/dbraw/zinc/38/81/80/808388180.db2.gz ASOCAYWUIXEVIS-RRFJBIMHSA-N 2 2 267.417 0.733 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@H+]([C@@H]3CCCN(C)C3)C[C@@H]2C1 ZINC001255484609 808388188 /nfs/dbraw/zinc/38/81/88/808388188.db2.gz ASOCAYWUIXEVIS-RRFJBIMHSA-N 2 2 267.417 0.733 20 0 CCADLP CCOC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC001256011650 808447356 /nfs/dbraw/zinc/44/73/56/808447356.db2.gz PARFUUVENCWAHP-RYUDHWBXSA-N 2 2 255.362 0.901 20 0 CCADLP CCOC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC001256011650 808447361 /nfs/dbraw/zinc/44/73/61/808447361.db2.gz PARFUUVENCWAHP-RYUDHWBXSA-N 2 2 255.362 0.901 20 0 CCADLP CCOC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC001256011648 808447687 /nfs/dbraw/zinc/44/76/87/808447687.db2.gz PARFUUVENCWAHP-NEPJUHHUSA-N 2 2 255.362 0.901 20 0 CCADLP CCOC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC001256011648 808447694 /nfs/dbraw/zinc/44/76/94/808447694.db2.gz PARFUUVENCWAHP-NEPJUHHUSA-N 2 2 255.362 0.901 20 0 CCADLP OC[C@H]1CC[N@@H+](C2CC[NH+](C3CC3)CC2)C[C@@H]1O ZINC001256072791 808466980 /nfs/dbraw/zinc/46/69/80/808466980.db2.gz HWTVLHYGGZJGSL-RISCZKNCSA-N 2 2 254.374 0.288 20 0 CCADLP OC[C@H]1CC[N@H+](C2CC[NH+](C3CC3)CC2)C[C@@H]1O ZINC001256072791 808466988 /nfs/dbraw/zinc/46/69/88/808466988.db2.gz HWTVLHYGGZJGSL-RISCZKNCSA-N 2 2 254.374 0.288 20 0 CCADLP CN(C)C(=O)C1C[NH+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256080367 808469756 /nfs/dbraw/zinc/46/97/56/808469756.db2.gz UCZZATZTXCPPTM-UHFFFAOYSA-N 2 2 251.374 0.633 20 0 CCADLP COC(=O)[C@H]([NH3+])Cc1cn(C2CC[NH+](C)CC2)cn1 ZINC001256202336 808477072 /nfs/dbraw/zinc/47/70/72/808477072.db2.gz VKZGTPBUYWTMNE-GFCCVEGCSA-N 2 2 266.345 0.193 20 0 CCADLP COc1cccc2c1CC[C@@H]([NH2+][C@@H]1COC[C@H]1[NH3+])C2 ZINC001256637564 808543686 /nfs/dbraw/zinc/54/36/86/808543686.db2.gz XVAHNTCZGYYJHX-MRVWCRGKSA-N 2 2 262.353 0.868 20 0 CCADLP [NH3+][C@H]1CC[N@@H+](C2CCC([NH+]3CCOCC3)CC2)C1 ZINC001256678598 808546681 /nfs/dbraw/zinc/54/66/81/808546681.db2.gz OKZGTSBCXDEQIA-HSBZDZAISA-N 3 2 253.390 0.663 20 0 CCADLP [NH3+][C@H]1CC[N@H+](C2CCC([NH+]3CCOCC3)CC2)C1 ZINC001256678598 808546685 /nfs/dbraw/zinc/54/66/85/808546685.db2.gz OKZGTSBCXDEQIA-HSBZDZAISA-N 3 2 253.390 0.663 20 0 CCADLP COC(=O)CC1CCC([NH2+][C@@H]2COC[C@H]2[NH3+])CC1 ZINC001256974472 808574025 /nfs/dbraw/zinc/57/40/25/808574025.db2.gz ABLLPCMEGIVSSP-KIDURHIOSA-N 2 2 256.346 0.424 20 0 CCADLP COCC[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C(C)(C)C ZINC001279035109 808628630 /nfs/dbraw/zinc/62/86/30/808628630.db2.gz REEIMEDVTLHGFU-LBPRGKRZSA-N 2 2 282.388 0.650 20 0 CCADLP C[C@H](C(=O)N1CCC(OCCC[NH3+])CC1)n1cc[nH+]c1 ZINC001261501103 809000119 /nfs/dbraw/zinc/00/01/19/809000119.db2.gz PVLLESHORBQSPR-GFCCVEGCSA-N 2 2 280.372 0.801 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCc2c[nH+]cn2C)C1 ZINC001262098086 809190204 /nfs/dbraw/zinc/19/02/04/809190204.db2.gz UQJQOXVBSDUZDZ-MNOVXSKESA-N 2 2 265.361 0.689 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)Nc1cc[nH+]c(N)n1 ZINC001262683041 809393386 /nfs/dbraw/zinc/39/33/86/809393386.db2.gz UNTXVVBUEQIGTK-SNVBAGLBSA-N 2 2 250.350 0.107 20 0 CCADLP [NH3+][C@H](CC(=O)N1C[C@@H]([NH3+])Cc2ccccc21)C(F)F ZINC001263130038 809454070 /nfs/dbraw/zinc/45/40/70/809454070.db2.gz IROFGBCBGRFZBX-VHSXEESVSA-N 2 2 269.295 0.886 20 0 CCADLP C[NH2+]CCOCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001263166840 809467241 /nfs/dbraw/zinc/46/72/41/809467241.db2.gz SORPHHZKXIXWSC-UHFFFAOYSA-N 2 2 265.357 0.973 20 0 CCADLP C[NH2+]CCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001263199177 809478598 /nfs/dbraw/zinc/47/85/98/809478598.db2.gz YQSUSEXQWVDRER-GFCCVEGCSA-N 2 2 264.373 0.902 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)C[NH2+]C(C)C ZINC001263198887 809479349 /nfs/dbraw/zinc/47/93/49/809479349.db2.gz OHTUPNRFCORITN-LBPRGKRZSA-N 2 2 257.378 0.211 20 0 CCADLP COCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001076501912 815304641 /nfs/dbraw/zinc/30/46/41/815304641.db2.gz JFVWEAHQLANFDE-GXTWGEPZSA-N 2 2 292.383 0.440 20 0 CCADLP COCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001076501912 815304648 /nfs/dbraw/zinc/30/46/48/815304648.db2.gz JFVWEAHQLANFDE-GXTWGEPZSA-N 2 2 292.383 0.440 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21 ZINC001076501873 815305096 /nfs/dbraw/zinc/30/50/96/815305096.db2.gz HJZMLZYSQWQCQZ-VHRBIJSZSA-N 2 2 292.383 0.174 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@H+](C[C@H](C)O)C[C@H]21 ZINC001076501873 815305101 /nfs/dbraw/zinc/30/51/01/815305101.db2.gz HJZMLZYSQWQCQZ-VHRBIJSZSA-N 2 2 292.383 0.174 20 0 CCADLP CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001076516837 815306463 /nfs/dbraw/zinc/30/64/63/815306463.db2.gz GFHGNYUBGIYDTB-GXTWGEPZSA-N 2 2 276.384 0.905 20 0 CCADLP CC[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001076516837 815306469 /nfs/dbraw/zinc/30/64/69/815306469.db2.gz GFHGNYUBGIYDTB-GXTWGEPZSA-N 2 2 276.384 0.905 20 0 CCADLP C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](C[NH2+]CCCO)C1 ZINC001264568409 809663194 /nfs/dbraw/zinc/66/31/94/809663194.db2.gz WFUMYANIYSVMJP-KGLIPLIRSA-N 2 2 294.399 0.482 20 0 CCADLP CCOC(=O)C1CCC(O)(C[NH2+]CC2C[NH+](C)C2)CC1 ZINC000390776132 809681129 /nfs/dbraw/zinc/68/11/29/809681129.db2.gz FPMJMIOIYSKNKJ-UHFFFAOYSA-N 2 2 284.400 0.622 20 0 CCADLP COC[C@@H](O)C[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000393280344 809838360 /nfs/dbraw/zinc/83/83/60/809838360.db2.gz XWVBFSSKEJSAIJ-MELADBBJSA-N 2 2 250.342 0.420 20 0 CCADLP COC[C@@H](O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000393280344 809838363 /nfs/dbraw/zinc/83/83/63/809838363.db2.gz XWVBFSSKEJSAIJ-MELADBBJSA-N 2 2 250.342 0.420 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]C[C@H]1CCOC1 ZINC001265829555 809867803 /nfs/dbraw/zinc/86/78/03/809867803.db2.gz CSUWFFDGBYFIOP-GHMZBOCLSA-N 2 2 266.345 0.083 20 0 CCADLP C[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)C[C@H]1CCCOC1 ZINC001265944571 809901607 /nfs/dbraw/zinc/90/16/07/809901607.db2.gz KMFTYWGFBGEUJG-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP C[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)C[C@H]1CCCOC1 ZINC001265944571 809901608 /nfs/dbraw/zinc/90/16/08/809901608.db2.gz KMFTYWGFBGEUJG-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](C[NH2+]CCF)C1 ZINC001266020336 809919615 /nfs/dbraw/zinc/91/96/15/809919615.db2.gz GXYWPAVWTUEQET-VXGBXAGGSA-N 2 2 282.363 0.996 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](C[NH2+]CCF)C1 ZINC001266020336 809919618 /nfs/dbraw/zinc/91/96/18/809919618.db2.gz GXYWPAVWTUEQET-VXGBXAGGSA-N 2 2 282.363 0.996 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[C@H](C)[NH2+]CCO ZINC001266178881 809956090 /nfs/dbraw/zinc/95/60/90/809956090.db2.gz OJXRIOJWSBCORB-MNOVXSKESA-N 2 2 268.361 0.065 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[C@H](C)[NH2+]CCO ZINC001266178881 809956091 /nfs/dbraw/zinc/95/60/91/809956091.db2.gz OJXRIOJWSBCORB-MNOVXSKESA-N 2 2 268.361 0.065 20 0 CCADLP COCCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001267279935 811087435 /nfs/dbraw/zinc/08/74/35/811087435.db2.gz NWOSYLIBERIZNP-ZDUSSCGKSA-N 2 2 294.399 0.580 20 0 CCADLP COCCC[N@H+]1CCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001267279935 811087445 /nfs/dbraw/zinc/08/74/45/811087445.db2.gz NWOSYLIBERIZNP-ZDUSSCGKSA-N 2 2 294.399 0.580 20 0 CCADLP Cc1[nH+]ccn1-c1ccc(-n2c(C)ncc(C[NH3+])c2=N)nn1 ZINC001167672898 811146063 /nfs/dbraw/zinc/14/60/63/811146063.db2.gz AERAOVWAGVCUQN-UHFFFAOYSA-N 2 2 296.338 0.403 20 0 CCADLP CN(CC[NH2+]CC1CCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001267435146 811304235 /nfs/dbraw/zinc/30/42/35/811304235.db2.gz UFSASVMZIKLTSO-UHFFFAOYSA-N 2 2 250.346 0.800 20 0 CCADLP CN(CC[NH2+]CCCO)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001267456044 811317878 /nfs/dbraw/zinc/31/78/78/811317878.db2.gz KLEGBFWDXZEKSH-UHFFFAOYSA-N 2 2 268.361 0.118 20 0 CCADLP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CCOC ZINC001267823216 811816885 /nfs/dbraw/zinc/81/68/85/811816885.db2.gz DQXKAPKGJVMNEB-SNVBAGLBSA-N 2 2 254.334 0.083 20 0 CCADLP CC[C@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001077395039 815492474 /nfs/dbraw/zinc/49/24/74/815492474.db2.gz QFHFNEPAROWEOJ-YNEHKIRRSA-N 2 2 298.362 0.101 20 0 CCADLP CC[C@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001077395039 815492477 /nfs/dbraw/zinc/49/24/77/815492477.db2.gz QFHFNEPAROWEOJ-YNEHKIRRSA-N 2 2 298.362 0.101 20 0 CCADLP CC[NH2+][C@@H](CNC(=O)Cc1c[nH+]cn1C)C(C)C ZINC001268221424 812378574 /nfs/dbraw/zinc/37/85/74/812378574.db2.gz GJWQDJLFZISWJY-LBPRGKRZSA-N 2 2 252.362 0.713 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCC[C@H]1C[NH2+]CCF ZINC001268290405 812450453 /nfs/dbraw/zinc/45/04/53/812450453.db2.gz OWHODGOEAMYTBB-WDEREUQCSA-N 2 2 268.336 0.796 20 0 CCADLP CCOCC[NH+]1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001268438664 812569394 /nfs/dbraw/zinc/56/93/94/812569394.db2.gz SVJAHGHBIJELBV-UHFFFAOYSA-N 2 2 257.378 0.165 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]C[C@@H]1CCOC1 ZINC001149130435 812588512 /nfs/dbraw/zinc/58/85/12/812588512.db2.gz OFVVOJSTAPQZAX-NSHDSACASA-N 2 2 266.345 0.003 20 0 CCADLP CCN(CC[NH2+]C[C@H](C)O)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001268459755 812603581 /nfs/dbraw/zinc/60/35/81/812603581.db2.gz HITSTPVLASNUIY-QWHCGFSZSA-N 2 2 294.399 0.264 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](Cc2ccon2)C1 ZINC001028445700 812713164 /nfs/dbraw/zinc/71/31/64/812713164.db2.gz SZZCXUGHFCSGGA-JSGCOSHPSA-N 2 2 292.383 0.707 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](Cc2ccon2)C1 ZINC001028445700 812713169 /nfs/dbraw/zinc/71/31/69/812713169.db2.gz SZZCXUGHFCSGGA-JSGCOSHPSA-N 2 2 292.383 0.707 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccon2)C1 ZINC001028445700 812713174 /nfs/dbraw/zinc/71/31/74/812713174.db2.gz SZZCXUGHFCSGGA-JSGCOSHPSA-N 2 2 292.383 0.707 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccon2)C1 ZINC001028445700 812713178 /nfs/dbraw/zinc/71/31/78/812713178.db2.gz SZZCXUGHFCSGGA-JSGCOSHPSA-N 2 2 292.383 0.707 20 0 CCADLP CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001268560050 812799565 /nfs/dbraw/zinc/79/95/65/812799565.db2.gz IFUCCSQFIGTMEW-AAOUONPWSA-N 2 2 262.357 0.727 20 0 CCADLP CN(CCC[NH2+]Cc1ccon1)C(=O)CCn1cc[nH+]c1 ZINC001268812373 813097168 /nfs/dbraw/zinc/09/71/68/813097168.db2.gz NFTFRKPCESNBEL-UHFFFAOYSA-N 2 2 291.355 0.900 20 0 CCADLP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CCF)C1)[NH+](C)C ZINC001269061922 813198842 /nfs/dbraw/zinc/19/88/42/813198842.db2.gz RPLNBJMGSMYCCZ-NWDGAFQWSA-N 2 2 259.369 0.733 20 0 CCADLP CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](CCF)C1)[NH+](C)C ZINC001269061922 813198844 /nfs/dbraw/zinc/19/88/44/813198844.db2.gz RPLNBJMGSMYCCZ-NWDGAFQWSA-N 2 2 259.369 0.733 20 0 CCADLP O=C(NCC1([NH2+]CCCO)CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001269436755 813371739 /nfs/dbraw/zinc/37/17/39/813371739.db2.gz APOPDARGCOSNRL-GFCCVEGCSA-N 2 2 292.383 0.066 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](CC[NH2+]CCO)C1 ZINC001269793336 813511325 /nfs/dbraw/zinc/51/13/25/813511325.db2.gz YEXMCVCBCWYKJU-ZDUSSCGKSA-N 2 2 294.399 0.471 20 0 CCADLP CCCCOCC[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126453614 813669386 /nfs/dbraw/zinc/66/93/86/813669386.db2.gz UQKWCGJCLIPRSU-UHFFFAOYSA-N 2 2 282.388 0.865 20 0 CCADLP C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)C1CN(c2cccc[nH+]2)C1 ZINC001270465335 813775293 /nfs/dbraw/zinc/77/52/93/813775293.db2.gz NVDZYCBFXVCBPA-KBPBESRZSA-N 2 2 286.379 0.823 20 0 CCADLP C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)C1CN(c2cccc[nH+]2)C1 ZINC001270465335 813775298 /nfs/dbraw/zinc/77/52/98/813775298.db2.gz NVDZYCBFXVCBPA-KBPBESRZSA-N 2 2 286.379 0.823 20 0 CCADLP C[C@H](O)C[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001167977279 813881808 /nfs/dbraw/zinc/88/18/08/813881808.db2.gz HRCXTVJZNCVVDS-QWRGUYRKSA-N 2 2 268.361 0.065 20 0 CCADLP C[C@H](O)C[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001167977279 813881817 /nfs/dbraw/zinc/88/18/17/813881817.db2.gz HRCXTVJZNCVVDS-QWRGUYRKSA-N 2 2 268.361 0.065 20 0 CCADLP CC[N@H+](C)CC(=O)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2 ZINC001271081333 814142960 /nfs/dbraw/zinc/14/29/60/814142960.db2.gz OENQVVKWKVRLGO-UHFFFAOYSA-N 2 2 276.384 0.611 20 0 CCADLP CC[N@@H+](C)CC(=O)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2 ZINC001271081333 814142963 /nfs/dbraw/zinc/14/29/63/814142963.db2.gz OENQVVKWKVRLGO-UHFFFAOYSA-N 2 2 276.384 0.611 20 0 CCADLP CC[N@H+](C)CC(=O)N1CC2(CCN2CCn2cc[nH+]c2)C1 ZINC001271084130 814144224 /nfs/dbraw/zinc/14/42/24/814144224.db2.gz IHXGRQFTARCCSU-UHFFFAOYSA-N 2 2 291.399 0.122 20 0 CCADLP CC[N@@H+](C)CC(=O)N1CC2(CCN2CCn2cc[nH+]c2)C1 ZINC001271084130 814144230 /nfs/dbraw/zinc/14/42/30/814144230.db2.gz IHXGRQFTARCCSU-UHFFFAOYSA-N 2 2 291.399 0.122 20 0 CCADLP COCCOC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+](C)C)[C@@H]2C1 ZINC001271147668 814207834 /nfs/dbraw/zinc/20/78/34/814207834.db2.gz OTYQSMBMPYIKBS-MELADBBJSA-N 2 2 299.415 0.090 20 0 CCADLP COCCOC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)[NH+](C)C)[C@@H]2C1 ZINC001271147668 814207838 /nfs/dbraw/zinc/20/78/38/814207838.db2.gz OTYQSMBMPYIKBS-MELADBBJSA-N 2 2 299.415 0.090 20 0 CCADLP C[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCF)CC1 ZINC001029452737 814256769 /nfs/dbraw/zinc/25/67/69/814256769.db2.gz BEZJDYMWEYHQRQ-OKILXGFUSA-N 2 2 283.391 0.973 20 0 CCADLP C[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCF)CC1 ZINC001029452737 814256777 /nfs/dbraw/zinc/25/67/77/814256777.db2.gz BEZJDYMWEYHQRQ-OKILXGFUSA-N 2 2 283.391 0.973 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1CCCCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001088433859 814685861 /nfs/dbraw/zinc/68/58/61/814685861.db2.gz HZPWQZGECXDMCN-KBPBESRZSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCN(CC[NH+]3CCOCC3)CC2)CCO1 ZINC001168127861 814704432 /nfs/dbraw/zinc/70/44/32/814704432.db2.gz JJRBXVUAHCRJEQ-HZPDHXFCSA-N 2 2 297.443 0.504 20 0 CCADLP C[C@@H]1NC(=O)N(C2CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC000348877118 815631651 /nfs/dbraw/zinc/63/16/51/815631651.db2.gz HASZEDDUVAOALR-NSHDSACASA-N 2 2 294.399 0.485 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+](CC3CCCC3)C2)C1 ZINC001030179854 815870783 /nfs/dbraw/zinc/87/07/83/815870783.db2.gz FLECQICQKRCXSU-CQSZACIVSA-N 2 2 281.400 0.308 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)NC2C[NH+](CC3CCCC3)C2)C1 ZINC001030179854 815870790 /nfs/dbraw/zinc/87/07/90/815870790.db2.gz FLECQICQKRCXSU-CQSZACIVSA-N 2 2 281.400 0.308 20 0 CCADLP CC[NH+]1CC(NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001030511134 816078326 /nfs/dbraw/zinc/07/83/26/816078326.db2.gz BATATQPVUZAMSC-UHFFFAOYSA-N 2 2 251.374 0.683 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001030533813 816091575 /nfs/dbraw/zinc/09/15/75/816091575.db2.gz ZTRQSJQDWNXAMR-AAEUAGOBSA-N 2 2 269.389 0.306 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001030533813 816091583 /nfs/dbraw/zinc/09/15/83/816091583.db2.gz ZTRQSJQDWNXAMR-AAEUAGOBSA-N 2 2 269.389 0.306 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CC2CCOCC2)C1 ZINC001030533618 816092532 /nfs/dbraw/zinc/09/25/32/816092532.db2.gz SRNQYZKFNRLKCW-OAHLLOKOSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CC2CCOCC2)C1 ZINC001030533618 816092538 /nfs/dbraw/zinc/09/25/38/816092538.db2.gz SRNQYZKFNRLKCW-OAHLLOKOSA-N 2 2 295.427 0.698 20 0 CCADLP CC(C)C[NH+]1CC(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001030555346 816104041 /nfs/dbraw/zinc/10/40/41/816104041.db2.gz VKXYYDSUTJDPMF-GFCCVEGCSA-N 2 2 276.384 0.902 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC1C[NH+](CC[C@H]2CCCO2)C1 ZINC001030684321 816215964 /nfs/dbraw/zinc/21/59/64/816215964.db2.gz VNCRVVKNVHKSTF-CQSZACIVSA-N 2 2 292.383 0.561 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001030741526 816258775 /nfs/dbraw/zinc/25/87/75/816258775.db2.gz DSVAEMKBAFDTMH-SWLSCSKDSA-N 2 2 295.427 0.696 20 0 CCADLP CC(C)CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001272442777 816435372 /nfs/dbraw/zinc/43/53/72/816435372.db2.gz HTVWZYVUNPMCML-YNEHKIRRSA-N 2 2 294.399 0.626 20 0 CCADLP CC(C)CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001272442777 816435378 /nfs/dbraw/zinc/43/53/78/816435378.db2.gz HTVWZYVUNPMCML-YNEHKIRRSA-N 2 2 294.399 0.626 20 0 CCADLP CC[N@@H+]1CCOC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2)C1 ZINC001272447552 816437711 /nfs/dbraw/zinc/43/77/11/816437711.db2.gz WXQRYSBKFGGASB-OAHLLOKOSA-N 2 2 292.383 0.491 20 0 CCADLP CC[N@H+]1CCOC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2)C1 ZINC001272447552 816437718 /nfs/dbraw/zinc/43/77/18/816437718.db2.gz WXQRYSBKFGGASB-OAHLLOKOSA-N 2 2 292.383 0.491 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C[NH2+]CCO ZINC001106225798 816663776 /nfs/dbraw/zinc/66/37/76/816663776.db2.gz HPSAZRAXCJOKIT-VXGBXAGGSA-N 2 2 280.372 0.019 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCO ZINC001106225798 816663778 /nfs/dbraw/zinc/66/37/78/816663778.db2.gz HPSAZRAXCJOKIT-VXGBXAGGSA-N 2 2 280.372 0.019 20 0 CCADLP CC[C@@H](C[NH+]1CC(NC(=O)Cn2cc[nH+]c2C)C1)OC ZINC001031391970 817027537 /nfs/dbraw/zinc/02/75/37/817027537.db2.gz PUNBCQMQEBXPLS-ZDUSSCGKSA-N 2 2 280.372 0.417 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NC2C[NH+](CC3CC(C)C3)C2)C1 ZINC001031417994 817041165 /nfs/dbraw/zinc/04/11/65/817041165.db2.gz FSBIINAZMBZBMQ-PIMMBPRGSA-N 2 2 295.427 0.554 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NC2C[NH+](CC3CC(C)C3)C2)C1 ZINC001031417994 817041172 /nfs/dbraw/zinc/04/11/72/817041172.db2.gz FSBIINAZMBZBMQ-PIMMBPRGSA-N 2 2 295.427 0.554 20 0 CCADLP COC(=O)[C@H]1C[N@H+](CC2CCSCC2)C[C@H]1[NH3+] ZINC001236341972 817267302 /nfs/dbraw/zinc/26/73/02/817267302.db2.gz LZFIOTRIHAVNHL-WDEREUQCSA-N 2 2 258.387 0.562 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](CC2CCSCC2)C[C@H]1[NH3+] ZINC001236341972 817267309 /nfs/dbraw/zinc/26/73/09/817267309.db2.gz LZFIOTRIHAVNHL-WDEREUQCSA-N 2 2 258.387 0.562 20 0 CCADLP O=C(NCC1C[NH+](CCCF)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001031745688 817311060 /nfs/dbraw/zinc/31/10/60/817311060.db2.gz REFOWBPLCMTQLP-VXGBXAGGSA-N 2 2 280.347 0.921 20 0 CCADLP CC1(C)[NH2+]C[C@@H](CN2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)O1 ZINC001236617394 817363522 /nfs/dbraw/zinc/36/35/22/817363522.db2.gz VDDKMQLLFGHARP-OCCSQVGLSA-N 3 2 282.432 0.208 20 0 CCADLP CC1(C)[NH2+]C[C@@H](CN2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)O1 ZINC001236617394 817363528 /nfs/dbraw/zinc/36/35/28/817363528.db2.gz VDDKMQLLFGHARP-OCCSQVGLSA-N 3 2 282.432 0.208 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001124838063 817591757 /nfs/dbraw/zinc/59/17/57/817591757.db2.gz SGSPOIOEBPFCIM-GFCCVEGCSA-N 2 2 280.372 0.537 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001124838063 817591764 /nfs/dbraw/zinc/59/17/64/817591764.db2.gz SGSPOIOEBPFCIM-GFCCVEGCSA-N 2 2 280.372 0.537 20 0 CCADLP O=C(NCC1C[NH+](CCF)C1)C12CC[NH+](CC1)C2 ZINC001032129996 817657250 /nfs/dbraw/zinc/65/72/50/817657250.db2.gz CLDPSLURKAHCTJ-UHFFFAOYSA-N 2 2 255.337 0.100 20 0 CCADLP CC(C)[NH2+]CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001127774063 817851947 /nfs/dbraw/zinc/85/19/47/817851947.db2.gz WLHHVJKGBGMHSZ-CYBMUJFWSA-N 2 2 279.388 0.904 20 0 CCADLP CC(C)[NH2+]CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001127774063 817851956 /nfs/dbraw/zinc/85/19/56/817851956.db2.gz WLHHVJKGBGMHSZ-CYBMUJFWSA-N 2 2 279.388 0.904 20 0 CCADLP CC(C)=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001032331785 817886443 /nfs/dbraw/zinc/88/64/43/817886443.db2.gz JQMNFELDVRBHKV-SOUVJXGZSA-N 2 2 293.411 0.568 20 0 CCADLP CC(C)=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001032331785 817886450 /nfs/dbraw/zinc/88/64/50/817886450.db2.gz JQMNFELDVRBHKV-SOUVJXGZSA-N 2 2 293.411 0.568 20 0 CCADLP CC(C)=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001032331785 817886462 /nfs/dbraw/zinc/88/64/62/817886462.db2.gz JQMNFELDVRBHKV-SOUVJXGZSA-N 2 2 293.411 0.568 20 0 CCADLP CC(C)=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001032331785 817886473 /nfs/dbraw/zinc/88/64/73/817886473.db2.gz JQMNFELDVRBHKV-SOUVJXGZSA-N 2 2 293.411 0.568 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]([NH2+]CCO)C12CCC2 ZINC001078796425 818051094 /nfs/dbraw/zinc/05/10/94/818051094.db2.gz ZVPFDVLLCSRUFM-QWHCGFSZSA-N 2 2 292.383 0.270 20 0 CCADLP C[C@@H](CC[NH2+]Cc1ccon1)NC(=O)CCn1cc[nH+]c1 ZINC001272943128 818085274 /nfs/dbraw/zinc/08/52/74/818085274.db2.gz GIGYCTDFACLFAH-LBPRGKRZSA-N 2 2 291.355 0.946 20 0 CCADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCF)C1 ZINC001032960502 818389095 /nfs/dbraw/zinc/38/90/95/818389095.db2.gz VGEKUTYRVBLIJG-NWDGAFQWSA-N 2 2 257.353 0.583 20 0 CCADLP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CCF)C1 ZINC001032960502 818389110 /nfs/dbraw/zinc/38/91/10/818389110.db2.gz VGEKUTYRVBLIJG-NWDGAFQWSA-N 2 2 257.353 0.583 20 0 CCADLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CCF)C1 ZINC001032960502 818389118 /nfs/dbraw/zinc/38/91/18/818389118.db2.gz VGEKUTYRVBLIJG-NWDGAFQWSA-N 2 2 257.353 0.583 20 0 CCADLP Cc1cc(NC(=[NH2+])N2CC[NH+](C)CC2)nc2nc[nH]c21 ZINC001168735224 818534882 /nfs/dbraw/zinc/53/48/82/818534882.db2.gz KCISPFHHEBYVPU-UHFFFAOYSA-N 2 2 273.344 0.860 20 0 CCADLP CCN(C)c1nc(NC(=[NH2+])N2CC[NH+](C)CC2)ncc1C ZINC001168735977 818541544 /nfs/dbraw/zinc/54/15/44/818541544.db2.gz HLUQOISDTXPXJN-UHFFFAOYSA-N 2 2 291.403 0.835 20 0 CCADLP COc1ncncc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168736053 818541731 /nfs/dbraw/zinc/54/17/31/818541731.db2.gz AMHIPRPOIOXLKJ-UHFFFAOYSA-N 2 2 250.306 0.079 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cccc3c2CC(=O)NC3)CC1 ZINC001168740797 818608524 /nfs/dbraw/zinc/60/85/24/818608524.db2.gz OLENITQVPQAYTA-UHFFFAOYSA-N 2 2 287.367 0.453 20 0 CCADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001033208828 818653219 /nfs/dbraw/zinc/65/32/19/818653219.db2.gz WSQJBKLJXBQADD-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001033208828 818653223 /nfs/dbraw/zinc/65/32/23/818653223.db2.gz WSQJBKLJXBQADD-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP CN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)[C@@H]1CC[N@H+](CCO)C1 ZINC001033417360 818763192 /nfs/dbraw/zinc/76/31/92/818763192.db2.gz UDHZEPJREGARRU-NEPJUHHUSA-N 2 2 292.383 0.355 20 0 CCADLP CN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033417360 818763196 /nfs/dbraw/zinc/76/31/96/818763196.db2.gz UDHZEPJREGARRU-NEPJUHHUSA-N 2 2 292.383 0.355 20 0 CCADLP Cc1[nH+]ccn1-c1ccc(-n2cnc(C[NH3+])c2)nn1 ZINC001162298843 818768764 /nfs/dbraw/zinc/76/87/64/818768764.db2.gz QVBSOBWERZYFOD-UHFFFAOYSA-N 2 2 255.285 0.615 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033453982 818779410 /nfs/dbraw/zinc/77/94/10/818779410.db2.gz AFAGUWWWMNPBON-AAEUAGOBSA-N 2 2 280.372 0.520 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033453982 818779417 /nfs/dbraw/zinc/77/94/17/818779417.db2.gz AFAGUWWWMNPBON-AAEUAGOBSA-N 2 2 280.372 0.520 20 0 CCADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H]1CC[N@H+](CCO)C1 ZINC001033587033 818841106 /nfs/dbraw/zinc/84/11/06/818841106.db2.gz DHNZXLMEJHEGAV-NSHDSACASA-N 2 2 280.372 0.212 20 0 CCADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CCO)C1 ZINC001033587033 818841115 /nfs/dbraw/zinc/84/11/15/818841115.db2.gz DHNZXLMEJHEGAV-NSHDSACASA-N 2 2 280.372 0.212 20 0 CCADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@H+](CCCF)C1 ZINC001033587141 818841551 /nfs/dbraw/zinc/84/15/51/818841551.db2.gz FRCAQYSEZCJEQQ-LBPRGKRZSA-N 2 2 282.363 0.855 20 0 CCADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@@H+](CCCF)C1 ZINC001033587141 818841553 /nfs/dbraw/zinc/84/15/53/818841553.db2.gz FRCAQYSEZCJEQQ-LBPRGKRZSA-N 2 2 282.363 0.855 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033593544 818844271 /nfs/dbraw/zinc/84/42/71/818844271.db2.gz HVVVXLHKJRTRGH-OLZOCXBDSA-N 2 2 294.399 0.530 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033593544 818844275 /nfs/dbraw/zinc/84/42/75/818844275.db2.gz HVVVXLHKJRTRGH-OLZOCXBDSA-N 2 2 294.399 0.530 20 0 CCADLP COC(=O)N1CCC([NH2+]C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000701627082 818982703 /nfs/dbraw/zinc/98/27/03/818982703.db2.gz JNJBLMOBSHSUEW-LBPRGKRZSA-N 2 2 255.362 0.901 20 0 CCADLP COC(=O)N1CCC([NH2+]C[C@@H]2CCC[N@H+]2C)CC1 ZINC000701627082 818982707 /nfs/dbraw/zinc/98/27/07/818982707.db2.gz JNJBLMOBSHSUEW-LBPRGKRZSA-N 2 2 255.362 0.901 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1nncs1 ZINC001128787261 819016985 /nfs/dbraw/zinc/01/69/85/819016985.db2.gz XWPAEQWDPAGBAN-NSHDSACASA-N 2 2 297.428 0.618 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1nncs1 ZINC001128787261 819016990 /nfs/dbraw/zinc/01/69/90/819016990.db2.gz XWPAEQWDPAGBAN-NSHDSACASA-N 2 2 297.428 0.618 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CC2CCC2)C1 ZINC001034890327 819363662 /nfs/dbraw/zinc/36/36/62/819363662.db2.gz AWXQZZFABDBVOO-CABCVRRESA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CC2CCC2)C1 ZINC001034890327 819363668 /nfs/dbraw/zinc/36/36/68/819363668.db2.gz AWXQZZFABDBVOO-CABCVRRESA-N 2 2 295.427 0.698 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]1C[NH2+]C[C@@H]1CCOC1 ZINC001035142654 819400592 /nfs/dbraw/zinc/40/05/92/819400592.db2.gz BXVWEZKOPQYNEF-UONOGXRCSA-N 2 2 292.383 0.500 20 0 CCADLP C[C@]1(C[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)CCC[NH2+]C1 ZINC000705602142 819527364 /nfs/dbraw/zinc/52/73/64/819527364.db2.gz PVCUUFCIEAZYTI-OLZOCXBDSA-N 2 2 289.445 0.390 20 0 CCADLP C[C@]1(C[N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)CCC[NH2+]C1 ZINC000705602142 819527368 /nfs/dbraw/zinc/52/73/68/819527368.db2.gz PVCUUFCIEAZYTI-OLZOCXBDSA-N 2 2 289.445 0.390 20 0 CCADLP CCOC(=O)COCC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705701796 819546683 /nfs/dbraw/zinc/54/66/83/819546683.db2.gz IMEWJBINOIWQRL-GJZGRUSLSA-N 2 2 284.400 0.840 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cs1 ZINC000705794005 819565736 /nfs/dbraw/zinc/56/57/36/819565736.db2.gz NLCQFGHNBAEDLU-ZDUSSCGKSA-N 2 2 284.381 0.691 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cs1 ZINC000705794005 819565740 /nfs/dbraw/zinc/56/57/40/819565740.db2.gz NLCQFGHNBAEDLU-ZDUSSCGKSA-N 2 2 284.381 0.691 20 0 CCADLP C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[C@H]1[NH2+]CCO ZINC001036275860 819723017 /nfs/dbraw/zinc/72/30/17/819723017.db2.gz KVVHHPSZNKWNRE-GXTWGEPZSA-N 2 2 294.399 0.172 20 0 CCADLP [NH3+]C[C@@H]1CN(CCC[NH+]2CCOCC2)C[C@H]1C(F)(F)F ZINC000709868844 819814562 /nfs/dbraw/zinc/81/45/62/819814562.db2.gz QTNKBQJBZOAAAN-VXGBXAGGSA-N 2 2 295.349 0.778 20 0 CCADLP C[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001079965756 820494543 /nfs/dbraw/zinc/49/45/43/820494543.db2.gz UVOUMWLPCMEGLZ-UPJWGTAASA-N 2 2 271.380 0.877 20 0 CCADLP C[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)[C@@H]1CCCC[NH+]1C ZINC001079965756 820494547 /nfs/dbraw/zinc/49/45/47/820494547.db2.gz UVOUMWLPCMEGLZ-UPJWGTAASA-N 2 2 271.380 0.877 20 0 CCADLP C[C@@H]1C[NH+](CCF)C[C@H]1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001079965756 820494550 /nfs/dbraw/zinc/49/45/50/820494550.db2.gz UVOUMWLPCMEGLZ-UPJWGTAASA-N 2 2 271.380 0.877 20 0 CCADLP C[C@@H]1C[NH+](CCF)C[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001079965756 820494553 /nfs/dbraw/zinc/49/45/53/820494553.db2.gz UVOUMWLPCMEGLZ-UPJWGTAASA-N 2 2 271.380 0.877 20 0 CCADLP C[C@@H]1C[N@H+](Cc2ccon2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001080934972 820658688 /nfs/dbraw/zinc/65/86/88/820658688.db2.gz HMIYUSRLEDXCRQ-MBNYWOFBSA-N 2 2 292.383 0.563 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2ccon2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001080934972 820658695 /nfs/dbraw/zinc/65/86/95/820658695.db2.gz HMIYUSRLEDXCRQ-MBNYWOFBSA-N 2 2 292.383 0.563 20 0 CCADLP C[C@@H]1C[NH+](Cc2ccon2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001080934972 820658701 /nfs/dbraw/zinc/65/87/01/820658701.db2.gz HMIYUSRLEDXCRQ-MBNYWOFBSA-N 2 2 292.383 0.563 20 0 CCADLP C[C@@H]1C[NH+](Cc2ccon2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001080934972 820658707 /nfs/dbraw/zinc/65/87/07/820658707.db2.gz HMIYUSRLEDXCRQ-MBNYWOFBSA-N 2 2 292.383 0.563 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CC[C@H](C)F)C[C@@H]1O ZINC001083997735 821170204 /nfs/dbraw/zinc/17/02/04/821170204.db2.gz KQNIXXMFFQFYGZ-BIMULSAOSA-N 2 2 298.362 0.170 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CC[C@H](C)F)C[C@@H]1O ZINC001083997735 821170211 /nfs/dbraw/zinc/17/02/11/821170211.db2.gz KQNIXXMFFQFYGZ-BIMULSAOSA-N 2 2 298.362 0.170 20 0 CCADLP CC(C)=CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001084059358 821191147 /nfs/dbraw/zinc/19/11/47/821191147.db2.gz FCEIPRXPHPCBJT-KGLIPLIRSA-N 2 2 292.383 0.319 20 0 CCADLP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001084059358 821191153 /nfs/dbraw/zinc/19/11/53/821191153.db2.gz FCEIPRXPHPCBJT-KGLIPLIRSA-N 2 2 292.383 0.319 20 0 CCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CC[NH+](CCF)C[C@H]21 ZINC001084661157 821341522 /nfs/dbraw/zinc/34/15/22/821341522.db2.gz JJGBQRSBJLNOPO-MGPQQGTHSA-N 2 2 283.391 0.973 20 0 CCADLP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CC[NH+](CCF)C[C@H]21 ZINC001084661157 821341532 /nfs/dbraw/zinc/34/15/32/821341532.db2.gz JJGBQRSBJLNOPO-MGPQQGTHSA-N 2 2 283.391 0.973 20 0 CCADLP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2CC[N@H+](CCF)C[C@H]21 ZINC001084661157 821341540 /nfs/dbraw/zinc/34/15/40/821341540.db2.gz JJGBQRSBJLNOPO-MGPQQGTHSA-N 2 2 283.391 0.973 20 0 CCADLP C[C@@H]1CCC[NH+]1CC(=O)N1C[C@H]2CC[N@@H+](CCF)C[C@H]21 ZINC001084661157 821341549 /nfs/dbraw/zinc/34/15/49/821341549.db2.gz JJGBQRSBJLNOPO-MGPQQGTHSA-N 2 2 283.391 0.973 20 0 CCADLP COCC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001084561052 821315686 /nfs/dbraw/zinc/31/56/86/821315686.db2.gz PTFHUITYTNEULZ-ZIAGYGMSSA-N 2 2 292.383 0.452 20 0 CCADLP COCC[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001084561052 821315693 /nfs/dbraw/zinc/31/56/93/821315693.db2.gz PTFHUITYTNEULZ-ZIAGYGMSSA-N 2 2 292.383 0.452 20 0 CCADLP CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001085346052 821664435 /nfs/dbraw/zinc/66/44/35/821664435.db2.gz DOMJUQONFKOYOS-VXGBXAGGSA-N 2 2 250.346 0.989 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)O ZINC001085406302 821679892 /nfs/dbraw/zinc/67/98/92/821679892.db2.gz YXBIPSZIXWFKTL-CYZMBNFOSA-N 2 2 294.399 0.658 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCO ZINC001085406640 821680047 /nfs/dbraw/zinc/68/00/47/821680047.db2.gz PWZAIGQCKWQTKO-VXGBXAGGSA-N 2 2 280.372 0.270 20 0 CCADLP CN(C[C@@H]1CC[N@@H+]1CCCF)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001085531529 821771040 /nfs/dbraw/zinc/77/10/40/821771040.db2.gz VIYPTHVAKWETOO-STQMWFEESA-N 2 2 287.379 0.209 20 0 CCADLP CN(C[C@@H]1CC[N@H+]1CCCF)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001085531529 821771044 /nfs/dbraw/zinc/77/10/44/821771044.db2.gz VIYPTHVAKWETOO-STQMWFEESA-N 2 2 287.379 0.209 20 0 CCADLP CN(C[C@@H]1CC[NH+]1CCCF)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001085531529 821771045 /nfs/dbraw/zinc/77/10/45/821771045.db2.gz VIYPTHVAKWETOO-STQMWFEESA-N 2 2 287.379 0.209 20 0 CCADLP CN(C[C@@H]1CC[NH+]1CCCF)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001085531529 821771049 /nfs/dbraw/zinc/77/10/49/821771049.db2.gz VIYPTHVAKWETOO-STQMWFEESA-N 2 2 287.379 0.209 20 0 CCADLP CN(C[C@@H]1CC[N@@H+]1CCF)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001085597812 821843166 /nfs/dbraw/zinc/84/31/66/821843166.db2.gz GUTMZPDOZULBIY-KBPBESRZSA-N 2 2 283.391 0.830 20 0 CCADLP CN(C[C@@H]1CC[N@H+]1CCF)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001085597812 821843174 /nfs/dbraw/zinc/84/31/74/821843174.db2.gz GUTMZPDOZULBIY-KBPBESRZSA-N 2 2 283.391 0.830 20 0 CCADLP CN(C[C@@H]1CC[N@@H+]1CCF)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001085968812 822044514 /nfs/dbraw/zinc/04/45/14/822044514.db2.gz PVWBTBNHGWCHKE-NEPJUHHUSA-N 2 2 257.353 0.440 20 0 CCADLP CN(C[C@@H]1CC[N@H+]1CCF)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001085968812 822044519 /nfs/dbraw/zinc/04/45/19/822044519.db2.gz PVWBTBNHGWCHKE-NEPJUHHUSA-N 2 2 257.353 0.440 20 0 CCADLP CN(C[C@@H]1CC[NH+]1CCF)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001085968812 822044527 /nfs/dbraw/zinc/04/45/27/822044527.db2.gz PVWBTBNHGWCHKE-NEPJUHHUSA-N 2 2 257.353 0.440 20 0 CCADLP CN(C[C@@H]1CC[NH+]1CCF)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001085968812 822044537 /nfs/dbraw/zinc/04/45/37/822044537.db2.gz PVWBTBNHGWCHKE-NEPJUHHUSA-N 2 2 257.353 0.440 20 0 CCADLP CCCCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001100018510 822064384 /nfs/dbraw/zinc/06/43/84/822064384.db2.gz SAYSXVAUANCFFU-KGLIPLIRSA-N 2 2 294.399 0.694 20 0 CCADLP CCCCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001100018510 822064396 /nfs/dbraw/zinc/06/43/96/822064396.db2.gz SAYSXVAUANCFFU-KGLIPLIRSA-N 2 2 294.399 0.694 20 0 CCADLP CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001086125466 822120313 /nfs/dbraw/zinc/12/03/13/822120313.db2.gz ADMQKVZQCLEEKE-RWMBFGLXSA-N 2 2 276.384 0.950 20 0 CCADLP C[C@@H]1CCCN(c2cc(N[C@@H]3COC[C@@H]3[NH3+])nc[nH+]2)C1 ZINC001155355236 822133799 /nfs/dbraw/zinc/13/37/99/822133799.db2.gz ZDZDGGWYUQVVKW-GRYCIOLGSA-N 2 2 277.372 0.851 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCF)C1 ZINC001086202144 822153403 /nfs/dbraw/zinc/15/34/03/822153403.db2.gz JPOBJHZAUAHKSS-YVECIDJPSA-N 2 2 294.374 0.978 20 0 CCADLP O=C(NC[C@H]1C[C@H]([NH2+]CCF)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001086407206 822240525 /nfs/dbraw/zinc/24/05/25/822240525.db2.gz WEADUAZMAVFRQR-JHJVBQTASA-N 2 2 294.374 0.899 20 0 CCADLP CC[N@H+](C[C@@H](C)OC)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156011578 822293779 /nfs/dbraw/zinc/29/37/79/822293779.db2.gz MGGFNPDVDMFNPJ-VXGBXAGGSA-N 2 2 282.388 0.814 20 0 CCADLP CC[N@@H+](C[C@@H](C)OC)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156011578 822293789 /nfs/dbraw/zinc/29/37/89/822293789.db2.gz MGGFNPDVDMFNPJ-VXGBXAGGSA-N 2 2 282.388 0.814 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@H](C2CC2)[NH+](C)C)[nH]1 ZINC001129444532 837505671 /nfs/dbraw/zinc/50/56/71/837505671.db2.gz UTCHLXDUEYBZSZ-CABZTGNLSA-N 2 2 294.403 0.220 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)[C@H](C2CC2)[NH+](C)C)nc1 ZINC001129436663 837510567 /nfs/dbraw/zinc/51/05/67/837510567.db2.gz RGANYTUDNCVBGM-AWEZNQCLSA-N 2 2 291.399 0.331 20 0 CCADLP C[NH+](C)[C@@H](C(=O)NCC[NH2+]Cc1ncccn1)C1CC1 ZINC001129436777 837511564 /nfs/dbraw/zinc/51/15/64/837511564.db2.gz SKGXBMBSUFCDEG-CYBMUJFWSA-N 2 2 277.372 0.023 20 0 CCADLP O=C(NCC[NH2+]C[C@@H]1CCOC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129892904 837580966 /nfs/dbraw/zinc/58/09/66/837580966.db2.gz DVFFZZMNUZYVSE-QJPTWQEYSA-N 2 2 278.356 0.256 20 0 CCADLP O=C(NCC[NH2+]C[C@@H]1CCOC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129892904 837580971 /nfs/dbraw/zinc/58/09/71/837580971.db2.gz DVFFZZMNUZYVSE-QJPTWQEYSA-N 2 2 278.356 0.256 20 0 CCADLP COc1cc(C)cnc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001157914877 837692775 /nfs/dbraw/zinc/69/27/75/837692775.db2.gz GFHGMTOWHUMTOG-UHFFFAOYSA-N 2 2 263.345 0.993 20 0 CCADLP CO[C@H](C)C[NH2+]CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001130165227 837712071 /nfs/dbraw/zinc/71/20/71/837712071.db2.gz ULVDIFLRXQKQLA-GFCCVEGCSA-N 2 2 282.388 0.667 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NCC[NH2+]CCOC(C)C ZINC001130178679 837712174 /nfs/dbraw/zinc/71/21/74/837712174.db2.gz YPWWKOOSWOUYHV-UHFFFAOYSA-N 2 2 295.383 0.764 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NCC[NH2+]CC(C)C ZINC001130180239 837714849 /nfs/dbraw/zinc/71/48/49/837714849.db2.gz IUGFNCGRBYTKTA-UHFFFAOYSA-N 2 2 265.357 0.995 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccon1 ZINC001130297041 837750380 /nfs/dbraw/zinc/75/03/80/837750380.db2.gz GRXYPBPTLGVTHP-LBPRGKRZSA-N 2 2 266.345 0.365 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccon1 ZINC001130297041 837750386 /nfs/dbraw/zinc/75/03/86/837750386.db2.gz GRXYPBPTLGVTHP-LBPRGKRZSA-N 2 2 266.345 0.365 20 0 CCADLP CC[C@@H](C[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)OC ZINC001130485044 837808728 /nfs/dbraw/zinc/80/87/28/837808728.db2.gz YZPLQBNSVWEIRW-STQMWFEESA-N 2 2 294.399 0.576 20 0 CCADLP COc1ccc(CN2CC[C@H]([NH2+][C@@H]3C[C@H]3[NH3+])CC2=O)cc1 ZINC001168898503 836033808 /nfs/dbraw/zinc/03/38/08/836033808.db2.gz ZTUWJPGXZNOGBW-NWANDNLSSA-N 2 2 289.379 0.875 20 0 CCADLP COc1cccc(F)c1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169073174 836125761 /nfs/dbraw/zinc/12/57/61/836125761.db2.gz BJELCCNEMUDZFH-SECBINFHSA-N 2 2 265.288 0.882 20 0 CCADLP COc1ncnc2ccc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)cc21 ZINC001169073202 836126995 /nfs/dbraw/zinc/12/69/95/836126995.db2.gz CHABRWGDJZEDIQ-SNVBAGLBSA-N 2 2 299.334 0.686 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nccc(C(F)(F)F)n1 ZINC001169075100 836129077 /nfs/dbraw/zinc/12/90/77/836129077.db2.gz UWZBMYGWPVSZBZ-SSDOTTSWSA-N 2 2 287.245 0.543 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cncc(C(N)=O)c1)C2 ZINC001169117825 836136372 /nfs/dbraw/zinc/13/63/72/836136372.db2.gz AEAGDBUWNFPZIL-BTTYYORXSA-N 2 2 274.368 0.895 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1cncc(C(N)=O)c1)C2 ZINC001169117825 836136375 /nfs/dbraw/zinc/13/63/75/836136375.db2.gz AEAGDBUWNFPZIL-BTTYYORXSA-N 2 2 274.368 0.895 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(C3COC3)CC1)C2 ZINC001169124239 836142391 /nfs/dbraw/zinc/14/23/91/836142391.db2.gz AZPNHDQNIKZTGX-BTTYYORXSA-N 2 2 265.401 0.628 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(C3COC3)CC1)C2 ZINC001169124239 836142396 /nfs/dbraw/zinc/14/23/96/836142396.db2.gz AZPNHDQNIKZTGX-BTTYYORXSA-N 2 2 265.401 0.628 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Nc2cnccc2/C=C/[NH+](C)C)C[NH2+]1 ZINC001169134788 836148939 /nfs/dbraw/zinc/14/89/39/836148939.db2.gz DZPJHICVXTYCLC-JOVKLMRISA-N 2 2 290.367 0.929 20 0 CCADLP CCC(=O)Nc1cc(N[C@H]2C[NH2+][C@H](C(=O)OC)C2)cc[nH+]1 ZINC001169137089 836149751 /nfs/dbraw/zinc/14/97/51/836149751.db2.gz UPAARQLZFTZKQC-MNOVXSKESA-N 2 2 292.339 0.746 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Nc2cc[nH+]c3c2ccn3C)C[NH2+]1 ZINC001169137473 836150673 /nfs/dbraw/zinc/15/06/73/836150673.db2.gz XSTVXPSHSOXXOC-SKDRFNHKSA-N 2 2 274.324 0.889 20 0 CCADLP Cc1ncccc1C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169204069 836158809 /nfs/dbraw/zinc/15/88/09/836158809.db2.gz GVDGEQQAAUCBEV-UHFFFAOYSA-N 2 2 287.367 0.952 20 0 CCADLP Cc1cc(C[NH2+]CCCNC(=O)Cc2[nH]cc[nH+]2)nn1C ZINC001169203722 836158830 /nfs/dbraw/zinc/15/88/30/836158830.db2.gz ATKCHMOMXXCBIV-UHFFFAOYSA-N 2 2 290.371 0.290 20 0 CCADLP Cc1ncc(C[NH2+]CCCNC(=O)Cc2[nH]cc[nH+]2)o1 ZINC001169211579 836160271 /nfs/dbraw/zinc/16/02/71/836160271.db2.gz GNMIXGXIFPPHOM-UHFFFAOYSA-N 2 2 277.328 0.545 20 0 CCADLP CC[NH+]1CCC([NH2+]CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC001169229918 836164827 /nfs/dbraw/zinc/16/48/27/836164827.db2.gz LKMUWLBHVXRUHB-UHFFFAOYSA-N 3 2 282.432 0.224 20 0 CCADLP CC[NH+]1CCC([NH2+]CCC(=O)N2CCN(C)CC2)CC1 ZINC001169229918 836164831 /nfs/dbraw/zinc/16/48/31/836164831.db2.gz LKMUWLBHVXRUHB-UHFFFAOYSA-N 2 2 282.432 0.224 20 0 CCADLP CC[NH+]1CCC([N@@H+]2CCCO[C@@H](C(=O)OC)C2)CC1 ZINC001169262179 836168775 /nfs/dbraw/zinc/16/87/75/836168775.db2.gz VMLAWRVURIIXNN-CYBMUJFWSA-N 2 2 270.373 0.735 20 0 CCADLP CC[NH+]1CCC([N@H+]2CCCO[C@@H](C(=O)OC)C2)CC1 ZINC001169262179 836168781 /nfs/dbraw/zinc/16/87/81/836168781.db2.gz VMLAWRVURIIXNN-CYBMUJFWSA-N 2 2 270.373 0.735 20 0 CCADLP Cc1[nH+]ccn1-c1cc(-n2nncc2C[NH3+])ncn1 ZINC001169308476 836207537 /nfs/dbraw/zinc/20/75/37/836207537.db2.gz NOAZPKGNYQTOBA-UHFFFAOYSA-N 2 2 256.273 0.010 20 0 CCADLP CCN(CC)C(=O)C[C@H](C)NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001169434967 836286460 /nfs/dbraw/zinc/28/64/60/836286460.db2.gz LPZUEPAQKDDHRQ-LBPRGKRZSA-N 2 2 283.420 0.405 20 0 CCADLP CCN(CC)C(=O)C[C@H](C)[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC001169436754 836288155 /nfs/dbraw/zinc/28/81/55/836288155.db2.gz FNDYZFFQYVHRAI-RYUDHWBXSA-N 2 2 257.378 0.293 20 0 CCADLP CCN(CC)C(=O)C[C@H](C)[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC001169436754 836288165 /nfs/dbraw/zinc/28/81/65/836288165.db2.gz FNDYZFFQYVHRAI-RYUDHWBXSA-N 2 2 257.378 0.293 20 0 CCADLP COC(=O)Cc1cc(NC[C@@H]2COCC[N@@H+]2C)cc[nH+]1 ZINC001169656111 836411507 /nfs/dbraw/zinc/41/15/07/836411507.db2.gz LDYNZNFCCNTRBX-CYBMUJFWSA-N 2 2 279.340 0.540 20 0 CCADLP COC(=O)Cc1cc(NC[C@@H]2COCC[N@H+]2C)cc[nH+]1 ZINC001169656111 836411514 /nfs/dbraw/zinc/41/15/14/836411514.db2.gz LDYNZNFCCNTRBX-CYBMUJFWSA-N 2 2 279.340 0.540 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCCC[NH2+]CC1CC1 ZINC001157257914 836901315 /nfs/dbraw/zinc/90/13/15/836901315.db2.gz ZAOSTGYNKNHKIJ-UHFFFAOYSA-N 2 2 250.346 0.848 20 0 CCADLP Cc1nc(N(C)[C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001113615559 837177300 /nfs/dbraw/zinc/17/73/00/837177300.db2.gz SXGJTMLYEBYAOD-YPMHNXCESA-N 2 2 291.399 0.678 20 0 CCADLP Cc1nc(N(C)[C@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001113615559 837177304 /nfs/dbraw/zinc/17/73/04/837177304.db2.gz SXGJTMLYEBYAOD-YPMHNXCESA-N 2 2 291.399 0.678 20 0 CCADLP CN(CC[NH3+])CCNc1nc(NCC2CC2)cc[nH+]1 ZINC001170500851 837847859 /nfs/dbraw/zinc/84/78/59/837847859.db2.gz QVGAFDYJBBZFKS-UHFFFAOYSA-N 2 2 264.377 0.601 20 0 CCADLP COCCOc1cc(NCCN(C)CC[NH3+])cc[nH+]1 ZINC001170504836 837861892 /nfs/dbraw/zinc/86/18/92/837861892.db2.gz LOFIEAYFMXETPH-UHFFFAOYSA-N 2 2 268.361 0.409 20 0 CCADLP C[C@@H](Nc1[nH+]cccc1N1CC[NH2+]CC1)[C@@H]1C[NH2+]CCO1 ZINC001170563645 838113276 /nfs/dbraw/zinc/11/32/76/838113276.db2.gz NGPBZHFAVQNMIP-OCCSQVGLSA-N 3 2 291.399 0.280 20 0 CCADLP CC(C)OCC[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131656039 838171444 /nfs/dbraw/zinc/17/14/44/838171444.db2.gz IQRZJYAKELHTGF-UHFFFAOYSA-N 2 2 282.388 0.484 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]C/C=C/Cl ZINC001132082689 838314490 /nfs/dbraw/zinc/31/44/90/838314490.db2.gz UNYUOYLTODKVKS-HNQUOIGGSA-N 2 2 256.737 0.732 20 0 CCADLP CC[C@@H](C[NH2+]CCNC(=O)CCn1cc[nH+]c1)OC ZINC001132082359 838315371 /nfs/dbraw/zinc/31/53/71/838315371.db2.gz MASLZMWFVZLTMR-LBPRGKRZSA-N 2 2 268.361 0.404 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C[N@@H+]1CCO ZINC001132195220 838332273 /nfs/dbraw/zinc/33/22/73/838332273.db2.gz LPDWNONPWBBLRP-OLZOCXBDSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C[N@H+]1CCO ZINC001132195220 838332276 /nfs/dbraw/zinc/33/22/76/838332276.db2.gz LPDWNONPWBBLRP-OLZOCXBDSA-N 2 2 294.399 0.314 20 0 CCADLP Cc1ccnc(C[NH2+]CCNC(=O)CCC[NH+](C)C)n1 ZINC001133040110 838539224 /nfs/dbraw/zinc/53/92/24/838539224.db2.gz BOOQDLIYJBDTEZ-UHFFFAOYSA-N 2 2 279.388 0.333 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)CCC[NH+](C)C)o1 ZINC001133052015 838542530 /nfs/dbraw/zinc/54/25/30/838542530.db2.gz YGIMSXAOVZLMHH-SNVBAGLBSA-N 2 2 283.376 0.487 20 0 CCADLP COCC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C ZINC001133196192 838573323 /nfs/dbraw/zinc/57/33/23/838573323.db2.gz UBDBUTMKXQUUTR-OLZOCXBDSA-N 2 2 294.399 0.673 20 0 CCADLP CC[C@H](C[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21)OC ZINC001133664296 838691347 /nfs/dbraw/zinc/69/13/47/838691347.db2.gz NQTYJTBEPLXTTF-NEPJUHHUSA-N 2 2 294.399 0.960 20 0 CCADLP CC(C)OCC[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001133668219 838692450 /nfs/dbraw/zinc/69/24/50/838692450.db2.gz STSCZZYPEBLSNY-GFCCVEGCSA-N 2 2 294.399 0.960 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1)c1csnn1 ZINC001133846060 838747004 /nfs/dbraw/zinc/74/70/04/838747004.db2.gz SKBMFOGWCPCRSA-QWRGUYRKSA-N 2 2 297.428 0.647 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1)c1csnn1 ZINC001133846060 838747010 /nfs/dbraw/zinc/74/70/10/838747010.db2.gz SKBMFOGWCPCRSA-QWRGUYRKSA-N 2 2 297.428 0.647 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)C[N@H+]2CC[C@@H](C)C2)nc1 ZINC001133845788 838747156 /nfs/dbraw/zinc/74/71/56/838747156.db2.gz NHBZATNLNDTPFL-GFCCVEGCSA-N 2 2 291.399 0.333 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)nc1 ZINC001133845788 838747158 /nfs/dbraw/zinc/74/71/58/838747158.db2.gz NHBZATNLNDTPFL-GFCCVEGCSA-N 2 2 291.399 0.333 20 0 CCADLP CC1(C)CC[N@H+](CC(=O)NCC[NH2+]Cc2cnsn2)C1 ZINC001133893962 838767282 /nfs/dbraw/zinc/76/72/82/838767282.db2.gz PUIILYPTXAOUQI-UHFFFAOYSA-N 2 2 297.428 0.476 20 0 CCADLP CC1(C)CC[N@@H+](CC(=O)NCC[NH2+]Cc2cnsn2)C1 ZINC001133893962 838767287 /nfs/dbraw/zinc/76/72/87/838767287.db2.gz PUIILYPTXAOUQI-UHFFFAOYSA-N 2 2 297.428 0.476 20 0 CCADLP CC[C@@H](C(=O)NCC[NH2+]Cc1ncccn1)[NH+](C)C ZINC001133982531 838803206 /nfs/dbraw/zinc/80/32/06/838803206.db2.gz FCKGRTVQHRFHML-NSHDSACASA-N 2 2 265.361 0.023 20 0 CCADLP COCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134227246 838911874 /nfs/dbraw/zinc/91/18/74/838911874.db2.gz DDTSDROAFQPZAM-NWDGAFQWSA-N 2 2 282.388 0.862 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]C[C@@H]1CCCOC1 ZINC001134407133 838962627 /nfs/dbraw/zinc/96/26/27/838962627.db2.gz SGRCWKTUESARAD-NSHDSACASA-N 2 2 266.345 0.085 20 0 CCADLP Cc1ncsc1C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134407275 838962811 /nfs/dbraw/zinc/96/28/11/838962811.db2.gz XVOSGGPWKCOQNN-UHFFFAOYSA-N 2 2 279.369 0.623 20 0 CCADLP C[NH+]1CCC(CC(=O)NCC[NH2+]Cc2ncccn2)CC1 ZINC001134780411 839073471 /nfs/dbraw/zinc/07/34/71/839073471.db2.gz FSFWLURZIFVGCI-UHFFFAOYSA-N 2 2 291.399 0.414 20 0 CCADLP COCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135135923 839167602 /nfs/dbraw/zinc/16/76/02/839167602.db2.gz DFPSGODNRSTCQX-QWHCGFSZSA-N 2 2 282.388 0.793 20 0 CCADLP COCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135135924 839168820 /nfs/dbraw/zinc/16/88/20/839168820.db2.gz DFPSGODNRSTCQX-STQMWFEESA-N 2 2 282.388 0.793 20 0 CCADLP CC1CC[NH+](CC(=O)NCC[NH2+]Cc2ncccn2)CC1 ZINC001135706798 839368692 /nfs/dbraw/zinc/36/86/92/839368692.db2.gz FXDFALUIBORUBD-UHFFFAOYSA-N 2 2 291.399 0.414 20 0 CCADLP CO[C@H](C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1)C1CCCC1 ZINC001135757417 839390989 /nfs/dbraw/zinc/39/09/89/839390989.db2.gz BVJVOJQYOVXZDR-CYBMUJFWSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@H](C[C@H](C)[NH2+]CCF)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135799597 839419043 /nfs/dbraw/zinc/41/90/43/839419043.db2.gz VZMAKHJXEHCAPG-VHSXEESVSA-N 2 2 256.325 0.795 20 0 CCADLP CCCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001090765143 839789892 /nfs/dbraw/zinc/78/98/92/839789892.db2.gz VHKVEULJCRUOBE-JSGCOSHPSA-N 2 2 294.399 0.612 20 0 CCADLP CCCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001090765143 839789903 /nfs/dbraw/zinc/78/99/03/839789903.db2.gz VHKVEULJCRUOBE-JSGCOSHPSA-N 2 2 294.399 0.612 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]CCCF)C1 ZINC001185919097 844474010 /nfs/dbraw/zinc/47/40/10/844474010.db2.gz UGPPFVQBKCMWSG-SNVBAGLBSA-N 2 2 254.309 0.502 20 0 CCADLP CC(C)C(=O)N1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246364318 839820833 /nfs/dbraw/zinc/82/08/33/839820833.db2.gz VNLUCABDILYODS-UPJWGTAASA-N 2 2 253.390 0.973 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001185918120 844474757 /nfs/dbraw/zinc/47/47/57/844474757.db2.gz HKIQLLJDUFVFON-WDEREUQCSA-N 2 2 266.345 0.178 20 0 CCADLP CC(C)COCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001185919711 844476483 /nfs/dbraw/zinc/47/64/83/844476483.db2.gz ZIWRVRWYFMKKIQ-CYBMUJFWSA-N 2 2 294.399 0.815 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246563548 840031918 /nfs/dbraw/zinc/03/19/18/840031918.db2.gz VHYYAHJLMYRDJC-DGAVXFQQSA-N 3 2 253.390 0.445 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246563548 840031924 /nfs/dbraw/zinc/03/19/24/840031924.db2.gz VHYYAHJLMYRDJC-DGAVXFQQSA-N 3 2 253.390 0.445 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246563608 840033579 /nfs/dbraw/zinc/03/35/79/840033579.db2.gz VHYYAHJLMYRDJC-ZOBORPQBSA-N 3 2 253.390 0.445 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246563608 840033586 /nfs/dbraw/zinc/03/35/86/840033586.db2.gz VHYYAHJLMYRDJC-ZOBORPQBSA-N 3 2 253.390 0.445 20 0 CCADLP O=C(NCC1CC([NH2+]CCF)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001091106860 840052029 /nfs/dbraw/zinc/05/20/29/840052029.db2.gz WEADUAZMAVFRQR-OTTFEQOBSA-N 2 2 294.374 0.899 20 0 CCADLP O=C(NCC1CC([NH2+]CCO)C1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001091228558 840150467 /nfs/dbraw/zinc/15/04/67/840150467.db2.gz HBBYKADPQGTPMU-HTAVTVPLSA-N 2 2 292.383 0.306 20 0 CCADLP CC(C)(C)[NH+]1CCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000042463047 840208023 /nfs/dbraw/zinc/20/80/23/840208023.db2.gz AEAAEEXWODQUTM-SNVBAGLBSA-N 2 2 257.403 0.592 20 0 CCADLP CCOCC[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171243979 840185658 /nfs/dbraw/zinc/18/56/58/840185658.db2.gz IQAWSVNOKHBQMU-UHFFFAOYSA-N 2 2 268.361 0.095 20 0 CCADLP CC[N@H+](C)CCC(=O)NCC[NH2+]Cc1nncs1 ZINC001146709676 840349146 /nfs/dbraw/zinc/34/91/46/840349146.db2.gz AUJJYAFTRSNSLO-UHFFFAOYSA-N 2 2 271.390 0.086 20 0 CCADLP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1nncs1 ZINC001146709676 840349159 /nfs/dbraw/zinc/34/91/59/840349159.db2.gz AUJJYAFTRSNSLO-UHFFFAOYSA-N 2 2 271.390 0.086 20 0 CCADLP C[C@H](C[C@H](C)[NH2+]CCO)NC(=O)CCCn1cc[nH+]c1 ZINC001146715917 840351362 /nfs/dbraw/zinc/35/13/62/840351362.db2.gz WZCGDZRRGPHXJP-QWHCGFSZSA-N 2 2 282.388 0.529 20 0 CCADLP C[C@H](C[C@H](C)NC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cnon1 ZINC001146770458 840358722 /nfs/dbraw/zinc/35/87/22/840358722.db2.gz IHIGEAQHGJSXLU-MNOVXSKESA-N 2 2 292.343 0.339 20 0 CCADLP C[N@@H+]1CCC[C@H](C(=O)NCC2([NH+]3CCCC3)COC2)C1 ZINC001186364219 844544696 /nfs/dbraw/zinc/54/46/96/844544696.db2.gz JMDMKTQCRUKURN-ZDUSSCGKSA-N 2 2 281.400 0.309 20 0 CCADLP C[N@H+]1CCC[C@H](C(=O)NCC2([NH+]3CCCC3)COC2)C1 ZINC001186364219 844544704 /nfs/dbraw/zinc/54/47/04/844544704.db2.gz JMDMKTQCRUKURN-ZDUSSCGKSA-N 2 2 281.400 0.309 20 0 CCADLP OC[C@H]1CCn2nccc2C[N@@H+]1C1CC[NH2+]CC1 ZINC001246939755 840594982 /nfs/dbraw/zinc/59/49/82/840594982.db2.gz HAIWUTSKBKBETP-CYBMUJFWSA-N 2 2 250.346 0.202 20 0 CCADLP OC[C@H]1CCn2nccc2C[N@H+]1C1CC[NH2+]CC1 ZINC001246939755 840594987 /nfs/dbraw/zinc/59/49/87/840594987.db2.gz HAIWUTSKBKBETP-CYBMUJFWSA-N 2 2 250.346 0.202 20 0 CCADLP CC(C)CC[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147916534 840721824 /nfs/dbraw/zinc/72/18/24/840721824.db2.gz ZBKCPPDSXVGOCJ-UHFFFAOYSA-N 2 2 252.362 0.715 20 0 CCADLP CCC[N@H+](C)CCC(=O)NCC[NH2+][C@@H](C)c1nc(C)no1 ZINC001148578495 840850462 /nfs/dbraw/zinc/85/04/62/840850462.db2.gz VJGHYGQSUASGGU-NSHDSACASA-N 2 2 297.403 0.877 20 0 CCADLP CCC[N@@H+](C)CCC(=O)NCC[NH2+][C@@H](C)c1nc(C)no1 ZINC001148578495 840850476 /nfs/dbraw/zinc/85/04/76/840850476.db2.gz VJGHYGQSUASGGU-NSHDSACASA-N 2 2 297.403 0.877 20 0 CCADLP CCN1CC[C@H]([N@H+](CCC[NH3+])CCC[NH+](C)C)CC1=O ZINC001172033665 841813153 /nfs/dbraw/zinc/81/31/53/841813153.db2.gz QGFUVABUSFOLFI-AWEZNQCLSA-N 3 2 284.448 0.600 20 0 CCADLP CCN1CC[C@H]([N@@H+](CCC[NH3+])CCC[NH+](C)C)CC1=O ZINC001172033665 841813163 /nfs/dbraw/zinc/81/31/63/841813163.db2.gz QGFUVABUSFOLFI-AWEZNQCLSA-N 3 2 284.448 0.600 20 0 CCADLP C[NH+](C)CCC[N@H+](CCC[NH3+])[C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172153002 841864711 /nfs/dbraw/zinc/86/47/11/841864711.db2.gz DKNONRVQDYNWIR-GJZGRUSLSA-N 3 2 296.459 0.742 20 0 CCADLP C[NH+](C)CCC[N@@H+](CCC[NH3+])[C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172153002 841864717 /nfs/dbraw/zinc/86/47/17/841864717.db2.gz DKNONRVQDYNWIR-GJZGRUSLSA-N 3 2 296.459 0.742 20 0 CCADLP C[NH+](C)CCC[N@H+](CCC[NH3+])[C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172153004 841865023 /nfs/dbraw/zinc/86/50/23/841865023.db2.gz DKNONRVQDYNWIR-LSDHHAIUSA-N 3 2 296.459 0.742 20 0 CCADLP C[NH+](C)CCC[N@@H+](CCC[NH3+])[C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172153004 841865028 /nfs/dbraw/zinc/86/50/28/841865028.db2.gz DKNONRVQDYNWIR-LSDHHAIUSA-N 3 2 296.459 0.742 20 0 CCADLP COCCC[NH+]1CCC([N@H+]2CCCC[C@@H]2C(N)=O)CC1 ZINC001172255347 841915967 /nfs/dbraw/zinc/91/59/67/841915967.db2.gz PAFKVFTWPNAJIS-CQSZACIVSA-N 2 2 283.416 0.827 20 0 CCADLP COCCC[NH+]1CCC([N@@H+]2CCCC[C@@H]2C(N)=O)CC1 ZINC001172255347 841915956 /nfs/dbraw/zinc/91/59/56/841915956.db2.gz PAFKVFTWPNAJIS-CQSZACIVSA-N 2 2 283.416 0.827 20 0 CCADLP COC(=O)[C@H]1CCC[C@H](NC(=[NH2+])N2CC[NH+](C)CC2)C1 ZINC001172592252 841939708 /nfs/dbraw/zinc/93/97/08/841939708.db2.gz GNEXJJZKTJFMCW-RYUDHWBXSA-N 2 2 282.388 0.490 20 0 CCADLP COC(=O)N1CCC([NH2+]C2(CO)CC[NH+](C)CC2)CC1 ZINC001172736995 841961460 /nfs/dbraw/zinc/96/14/60/841961460.db2.gz WOCALPNRXNKQKC-UHFFFAOYSA-N 2 2 285.388 0.264 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([NH2+][C@H](C)C[NH+](C)C)C[C@@H]1C(=O)OC ZINC001173566761 842102760 /nfs/dbraw/zinc/10/27/60/842102760.db2.gz QHIDFZBOSHTKTE-WISYIIOYSA-N 2 2 286.372 0.267 20 0 CCADLP CCOC(=O)C[C@H]1CC[C@@H]([NH2+][C@@H]2COC[C@H]2[NH3+])C1 ZINC001173627405 842120336 /nfs/dbraw/zinc/12/03/36/842120336.db2.gz LGDHZXITAAHEQX-IRCOFANPSA-N 2 2 256.346 0.424 20 0 CCADLP c1cn(CC[NH2+][C@H]2CCC[C@@H](n3ncnn3)C2)c[nH+]1 ZINC001173727983 842160062 /nfs/dbraw/zinc/16/00/62/842160062.db2.gz DZFJYJFGDUMTRN-NWDGAFQWSA-N 2 2 261.333 0.643 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]Cc1nccn1C ZINC001174682226 842199916 /nfs/dbraw/zinc/19/99/16/842199916.db2.gz GZAGJEWSDYOFSX-UHFFFAOYSA-N 2 2 290.371 0.290 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]CCOCC1CC1 ZINC001174691408 842200574 /nfs/dbraw/zinc/20/05/74/842200574.db2.gz KXTROJNISDLPNL-UHFFFAOYSA-N 2 2 294.399 0.783 20 0 CCADLP COCCCC[NH2+]CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001174692573 842201193 /nfs/dbraw/zinc/20/11/93/842201193.db2.gz VXZAFEWRHRBHRM-UHFFFAOYSA-N 2 2 282.388 0.783 20 0 CCADLP Cc1nc([C@H](C)[NH2+]CCCNC(=O)[C@@H]2CC[N@H+](C)C2)no1 ZINC001176057026 842315572 /nfs/dbraw/zinc/31/55/72/842315572.db2.gz MFWMFAICHZEQPY-CMPLNLGQSA-N 2 2 295.387 0.487 20 0 CCADLP Cc1nc([C@H](C)[NH2+]CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)no1 ZINC001176057026 842315580 /nfs/dbraw/zinc/31/55/80/842315580.db2.gz MFWMFAICHZEQPY-CMPLNLGQSA-N 2 2 295.387 0.487 20 0 CCADLP C[NH+]1CCN(c2ncc(Nc3c[nH+]ncc3N)cn2)CC1 ZINC001176630804 842389820 /nfs/dbraw/zinc/38/98/20/842389820.db2.gz NDQBBKXTOMFQRF-UHFFFAOYSA-N 2 2 286.343 0.344 20 0 CCADLP CCC[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001176676066 842397990 /nfs/dbraw/zinc/39/79/90/842397990.db2.gz RQJMOJCSVJGZSM-AWEZNQCLSA-N 2 2 283.416 0.603 20 0 CCADLP C[N@@H+]1CCC[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC001176877407 842436981 /nfs/dbraw/zinc/43/69/81/842436981.db2.gz CYABMVBESPIHTE-QWHCGFSZSA-N 2 2 262.357 0.826 20 0 CCADLP C[N@H+]1CCC[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC001176877407 842436987 /nfs/dbraw/zinc/43/69/87/842436987.db2.gz CYABMVBESPIHTE-QWHCGFSZSA-N 2 2 262.357 0.826 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC12CC[NH+](CC1)CC2 ZINC001176883214 842439079 /nfs/dbraw/zinc/43/90/79/842439079.db2.gz FESVZGCXNROIPN-UHFFFAOYSA-N 2 2 262.357 0.875 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC1CC[NH+](CCF)CC1 ZINC001176884080 842442380 /nfs/dbraw/zinc/44/23/80/842442380.db2.gz UEUPWALPIBVGQC-UHFFFAOYSA-N 2 2 268.336 0.823 20 0 CCADLP COCC[NH2+]CCCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001177064326 842498516 /nfs/dbraw/zinc/49/85/16/842498516.db2.gz MYUGNVNYFOTBSU-CQSZACIVSA-N 2 2 294.399 0.427 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NCCC[NH2+]CCF ZINC001177351404 842562138 /nfs/dbraw/zinc/56/21/38/842562138.db2.gz AGLIBHWDESPCFT-UHFFFAOYSA-N 2 2 256.325 0.729 20 0 CCADLP C[C@@H](O)CCC[NH2+]CCCNC(=O)CCCn1cc[nH+]c1 ZINC001177351521 842562689 /nfs/dbraw/zinc/56/26/89/842562689.db2.gz GHMTXKZHVKWISE-CQSZACIVSA-N 2 2 296.415 0.920 20 0 CCADLP Cc1nnc(C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)s1 ZINC001177400911 842574340 /nfs/dbraw/zinc/57/43/40/842574340.db2.gz NYBOOLGJFXVRCP-UHFFFAOYSA-N 2 2 294.384 0.339 20 0 CCADLP Cc1cc(C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)on1 ZINC001177401972 842577603 /nfs/dbraw/zinc/57/76/03/842577603.db2.gz YWTCDOSKNUILHZ-UHFFFAOYSA-N 2 2 277.328 0.476 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]CCC1CC1 ZINC001177406479 842580199 /nfs/dbraw/zinc/58/01/99/842580199.db2.gz YPCZUFVXMBTEHA-UHFFFAOYSA-N 2 2 250.346 0.779 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]CCC1CCOCC1 ZINC001177406427 842580221 /nfs/dbraw/zinc/58/02/21/842580221.db2.gz XJHBYDROUUAJHX-UHFFFAOYSA-N 2 2 294.399 0.796 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]CCCNC(=O)Cn2cc[nH+]c2)n1 ZINC001177414394 842585811 /nfs/dbraw/zinc/58/58/11/842585811.db2.gz ADMDWMRLQPRDAY-SNVBAGLBSA-N 2 2 292.343 0.432 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NC1CC[NH+](CCF)CC1 ZINC001177998298 842720260 /nfs/dbraw/zinc/72/02/60/842720260.db2.gz PRRURLSJJCFIFY-UHFFFAOYSA-N 2 2 268.336 0.892 20 0 CCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]21 ZINC001177998338 842720593 /nfs/dbraw/zinc/72/05/93/842720593.db2.gz PHJFFGRAMKYMBT-NEPJUHHUSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]21 ZINC001177998338 842720595 /nfs/dbraw/zinc/72/05/95/842720595.db2.gz PHJFFGRAMKYMBT-NEPJUHHUSA-N 2 2 262.357 0.895 20 0 CCADLP Cc1noc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)[C@H]2C)n1 ZINC001179472745 843006313 /nfs/dbraw/zinc/00/63/13/843006313.db2.gz VWZVWCXTFSJXQO-JQWIXIFHSA-N 2 2 295.387 0.409 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]([NH2+]CCCO)[C@@H]1C ZINC001179688773 843032736 /nfs/dbraw/zinc/03/27/36/843032736.db2.gz INKFIPMJNCYAPD-OBJOEFQTSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]([NH2+]CCCO)[C@@H]1C ZINC001179688773 843032743 /nfs/dbraw/zinc/03/27/43/843032743.db2.gz INKFIPMJNCYAPD-OBJOEFQTSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCCCCC[NH2+]CCO ZINC001179776825 843043351 /nfs/dbraw/zinc/04/33/51/843043351.db2.gz JUJKQNXFKUEJAN-CYBMUJFWSA-N 2 2 296.415 0.847 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCCCCC[NH2+]CCO ZINC001179776825 843043362 /nfs/dbraw/zinc/04/33/62/843043362.db2.gz JUJKQNXFKUEJAN-CYBMUJFWSA-N 2 2 296.415 0.847 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCCCCC[NH2+]CCCO ZINC001180470772 843186264 /nfs/dbraw/zinc/18/62/64/843186264.db2.gz VANMIJJCFUYKDL-UHFFFAOYSA-N 2 2 282.388 0.532 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@]1(C)C[NH2+]CCO ZINC001181287238 843443671 /nfs/dbraw/zinc/44/36/71/843443671.db2.gz UAYPMWZWNJFJBU-IUODEOHRSA-N 2 2 294.399 0.409 20 0 CCADLP Cc1cnc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001151057424 843595880 /nfs/dbraw/zinc/59/58/80/843595880.db2.gz TVBYGEPCZVVMDG-NWDGAFQWSA-N 2 2 280.372 0.702 20 0 CCADLP Cc1cnc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001151057424 843595889 /nfs/dbraw/zinc/59/58/89/843595889.db2.gz TVBYGEPCZVVMDG-NWDGAFQWSA-N 2 2 280.372 0.702 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)C[NH+]2CCCC2)nc1 ZINC001151097800 843758904 /nfs/dbraw/zinc/75/89/04/843758904.db2.gz 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C[C@@H](O)C[N@@H+]1CCC[C@@]12CCN(Cc1c[nH+]cn1C)C2=O ZINC001274051378 848324719 /nfs/dbraw/zinc/32/47/19/848324719.db2.gz FHXHRXUJTCGCKK-DOMZBBRYSA-N 2 2 292.383 0.368 20 0 CCADLP COCC[NH+]1CC2(CCN2C(=O)[C@H]2CC3CC[NH+]2CC3)C1 ZINC001274978327 848609719 /nfs/dbraw/zinc/60/97/19/848609719.db2.gz GINMMUUZIVMAIO-CQSZACIVSA-N 2 2 293.411 0.404 20 0 CCADLP COCCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001275209593 848668443 /nfs/dbraw/zinc/66/84/43/848668443.db2.gz TVZMIPQSNMXKJC-QWHCGFSZSA-N 2 2 294.399 0.576 20 0 CCADLP C[C@@H](C[NH2+]CC1CCC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001275383381 848706072 /nfs/dbraw/zinc/70/60/72/848706072.db2.gz WNSYZPVYFWLBRD-JTQLQIEISA-N 2 2 250.346 0.847 20 0 CCADLP CCC[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001275542966 848754615 /nfs/dbraw/zinc/75/46/15/848754615.db2.gz XNLBKZHUKZYKCW-QWRGUYRKSA-N 2 2 252.362 0.855 20 0 CCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1ncc[nH]1)C2 ZINC001275846928 848843999 /nfs/dbraw/zinc/84/39/99/848843999.db2.gz HTYJTBCSHZVDSD-OLZOCXBDSA-N 2 2 263.389 0.477 20 0 CCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ncc[nH]1)C2 ZINC001275846928 848844006 /nfs/dbraw/zinc/84/40/06/848844006.db2.gz HTYJTBCSHZVDSD-OLZOCXBDSA-N 2 2 263.389 0.477 20 0 CCADLP COCC[N@H+](C)[C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001275897439 848859914 /nfs/dbraw/zinc/85/99/14/848859914.db2.gz NWSDXXUSNLSUMI-LBPRGKRZSA-N 2 2 268.361 0.356 20 0 CCADLP COCC[N@@H+](C)[C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001275897439 848859918 /nfs/dbraw/zinc/85/99/18/848859918.db2.gz NWSDXXUSNLSUMI-LBPRGKRZSA-N 2 2 268.361 0.356 20 0 CCADLP Cc1ccc(C[N@@H+]2C[C@H]3CN(CC[NH+](C)C)C[C@@H](C2)O3)[nH]1 ZINC001276074586 848916612 /nfs/dbraw/zinc/91/66/12/848916612.db2.gz XUYSUAATFYGKMT-IYBDPMFKSA-N 2 2 292.427 0.770 20 0 CCADLP Cc1ccc(C[N@H+]2C[C@H]3CN(CC[NH+](C)C)C[C@@H](C2)O3)[nH]1 ZINC001276074586 848916615 /nfs/dbraw/zinc/91/66/15/848916615.db2.gz XUYSUAATFYGKMT-IYBDPMFKSA-N 2 2 292.427 0.770 20 0 CCADLP Cn1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)n1 ZINC001276278081 848983854 /nfs/dbraw/zinc/98/38/54/848983854.db2.gz VASYULGQXMANJY-GJZGRUSLSA-N 2 2 277.416 0.630 20 0 CCADLP Cn1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)n1 ZINC001276278081 848983859 /nfs/dbraw/zinc/98/38/59/848983859.db2.gz VASYULGQXMANJY-GJZGRUSLSA-N 2 2 277.416 0.630 20 0 CCADLP CCC[N@H+](C[C@H](O)CO[C@H](C)COC)[C@H]1CC[NH2+]C1 ZINC000300255994 849356930 /nfs/dbraw/zinc/35/69/30/849356930.db2.gz BUILCRJTVRDVCS-RDBSUJKOSA-N 2 2 274.405 0.473 20 0 CCADLP CCC[N@@H+](C[C@H](O)CO[C@H](C)COC)[C@H]1CC[NH2+]C1 ZINC000300255994 849356938 /nfs/dbraw/zinc/35/69/38/849356938.db2.gz BUILCRJTVRDVCS-RDBSUJKOSA-N 2 2 274.405 0.473 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCCO ZINC001038717147 849994950 /nfs/dbraw/zinc/99/49/50/849994950.db2.gz RQQONKGTXKPTFI-YNEHKIRRSA-N 2 2 292.383 0.097 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCCO ZINC001038717147 849994959 /nfs/dbraw/zinc/99/49/59/849994959.db2.gz RQQONKGTXKPTFI-YNEHKIRRSA-N 2 2 292.383 0.097 20 0 CCADLP COCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001039443531 850191209 /nfs/dbraw/zinc/19/12/09/850191209.db2.gz WATGLUROKCWATN-KGLIPLIRSA-N 2 2 292.383 0.664 20 0 CCADLP COCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001039443531 850191212 /nfs/dbraw/zinc/19/12/12/850191212.db2.gz WATGLUROKCWATN-KGLIPLIRSA-N 2 2 292.383 0.664 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@]2(CC[N@@H+](CCF)C2)C1 ZINC001041855766 850513011 /nfs/dbraw/zinc/51/30/11/850513011.db2.gz NZLVZERSKYSBSN-CQSZACIVSA-N 2 2 280.347 0.777 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@]2(CC[N@H+](CCF)C2)C1 ZINC001041855766 850513015 /nfs/dbraw/zinc/51/30/15/850513015.db2.gz NZLVZERSKYSBSN-CQSZACIVSA-N 2 2 280.347 0.777 20 0 CCADLP CC(C)CC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042570732 850699587 /nfs/dbraw/zinc/69/95/87/850699587.db2.gz IHMQNLISEQWWLA-AWEZNQCLSA-N 2 2 283.416 0.506 20 0 CCADLP CC(C)CC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042570732 850699581 /nfs/dbraw/zinc/69/95/81/850699581.db2.gz IHMQNLISEQWWLA-AWEZNQCLSA-N 2 2 283.416 0.506 20 0 CCADLP CC1CC(C[NH+]2CC(N(C)C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001042570657 850700170 /nfs/dbraw/zinc/70/01/70/850700170.db2.gz YWLWAYUOGKFMEB-SSDMNJCBSA-N 2 2 295.427 0.506 20 0 CCADLP CC1CC(C[NH+]2CC(N(C)C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001042570657 850700174 /nfs/dbraw/zinc/70/01/74/850700174.db2.gz YWLWAYUOGKFMEB-SSDMNJCBSA-N 2 2 295.427 0.506 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2C[NH+](CCCF)C2)O1 ZINC001043067381 850808041 /nfs/dbraw/zinc/80/80/41/850808041.db2.gz MZOUWQDTWZBCNP-DGCLKSJQSA-N 2 2 287.379 0.208 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2C[NH+](CCCF)C2)O1 ZINC001043067381 850808048 /nfs/dbraw/zinc/80/80/48/850808048.db2.gz MZOUWQDTWZBCNP-DGCLKSJQSA-N 2 2 287.379 0.208 20 0 CCADLP CC(C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001043630083 850913176 /nfs/dbraw/zinc/91/31/76/850913176.db2.gz WUJDAUBCHJHZFK-HNNXBMFYSA-N 2 2 297.443 0.894 20 0 CCADLP CC(C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001043630083 850913186 /nfs/dbraw/zinc/91/31/86/850913186.db2.gz WUJDAUBCHJHZFK-HNNXBMFYSA-N 2 2 297.443 0.894 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001043867085 850943264 /nfs/dbraw/zinc/94/32/64/850943264.db2.gz BFEJCGVPZYIKPQ-GFCCVEGCSA-N 2 2 269.389 0.260 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001043867085 850943268 /nfs/dbraw/zinc/94/32/68/850943268.db2.gz BFEJCGVPZYIKPQ-GFCCVEGCSA-N 2 2 269.389 0.260 20 0 CCADLP COC[C@H](C)[NH+]1CC(N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001043885105 850956431 /nfs/dbraw/zinc/95/64/31/850956431.db2.gz IYBVESLXUXGHIK-ZDUSSCGKSA-N 2 2 297.443 0.896 20 0 CCADLP COC[C@H](C)[NH+]1CC(N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001043885105 850956443 /nfs/dbraw/zinc/95/64/43/850956443.db2.gz IYBVESLXUXGHIK-ZDUSSCGKSA-N 2 2 297.443 0.896 20 0 CCADLP CCCC[NH+]1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001043974452 850976379 /nfs/dbraw/zinc/97/63/79/850976379.db2.gz CIUSFNAECWPQHU-UHFFFAOYSA-N 2 2 250.346 0.895 20 0 CCADLP CC[NH+]1CC(N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001044034419 850989750 /nfs/dbraw/zinc/98/97/50/850989750.db2.gz NVPDNHLKFOUQKR-UHFFFAOYSA-N 2 2 279.388 0.221 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1C[NH+](C(C)C)C1 ZINC001044233897 851048146 /nfs/dbraw/zinc/04/81/46/851048146.db2.gz MNBGJIRGMNYEED-UHFFFAOYSA-N 2 2 250.346 0.812 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC001044820416 851165359 /nfs/dbraw/zinc/16/53/59/851165359.db2.gz QKKWOAPXIWTQPH-RYUDHWBXSA-N 2 2 264.373 0.952 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001044880226 851171523 /nfs/dbraw/zinc/17/15/23/851171523.db2.gz YTXBEFWEXIPXGV-NEPJUHHUSA-N 2 2 250.346 0.872 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]1C[NH2+]CC1CC1 ZINC001045329907 851234040 /nfs/dbraw/zinc/23/40/40/851234040.db2.gz ORRFGVLCOPTLIS-ZDUSSCGKSA-N 2 2 262.357 0.874 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CCF)C1 ZINC001045742111 851305802 /nfs/dbraw/zinc/30/58/02/851305802.db2.gz SGUPREKPZFTGNS-HZSPNIEDSA-N 2 2 299.390 0.352 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CCF)C1 ZINC001045742111 851305806 /nfs/dbraw/zinc/30/58/06/851305806.db2.gz SGUPREKPZFTGNS-HZSPNIEDSA-N 2 2 299.390 0.352 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CCF)C1 ZINC001045742111 851305812 /nfs/dbraw/zinc/30/58/12/851305812.db2.gz SGUPREKPZFTGNS-HZSPNIEDSA-N 2 2 299.390 0.352 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCF)C1 ZINC001045742111 851305816 /nfs/dbraw/zinc/30/58/16/851305816.db2.gz SGUPREKPZFTGNS-HZSPNIEDSA-N 2 2 299.390 0.352 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001045878578 851328043 /nfs/dbraw/zinc/32/80/43/851328043.db2.gz CLDQRYOKXROHOC-OLZOCXBDSA-N 2 2 292.383 0.020 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001045878578 851328052 /nfs/dbraw/zinc/32/80/52/851328052.db2.gz CLDQRYOKXROHOC-OLZOCXBDSA-N 2 2 292.383 0.020 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@]2(C)CC[NH+](CC3CC3)C2)C1 ZINC001046216501 851427037 /nfs/dbraw/zinc/42/70/37/851427037.db2.gz BNJVMJKGAQSRDD-UKRRQHHQSA-N 2 2 281.400 0.308 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@]2(C)CC[NH+](CC3CC3)C2)C1 ZINC001046216501 851427039 /nfs/dbraw/zinc/42/70/39/851427039.db2.gz BNJVMJKGAQSRDD-UKRRQHHQSA-N 2 2 281.400 0.308 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N[C@]2(C)CC[N@H+](CC3CC3)C2)C1 ZINC001046216501 851427041 /nfs/dbraw/zinc/42/70/41/851427041.db2.gz BNJVMJKGAQSRDD-UKRRQHHQSA-N 2 2 281.400 0.308 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CC3CC3)C2)C1 ZINC001046216501 851427042 /nfs/dbraw/zinc/42/70/42/851427042.db2.gz BNJVMJKGAQSRDD-UKRRQHHQSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@@]1(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC[N@H+](CCO)C1 ZINC001046433824 851502600 /nfs/dbraw/zinc/50/26/00/851502600.db2.gz ICZNUVKLBXLENT-SWLSCSKDSA-N 2 2 292.383 0.018 20 0 CCADLP C[C@@]1(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC[N@@H+](CCO)C1 ZINC001046433824 851502605 /nfs/dbraw/zinc/50/26/05/851502605.db2.gz ICZNUVKLBXLENT-SWLSCSKDSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCO)C2 ZINC001047150199 851674102 /nfs/dbraw/zinc/67/41/02/851674102.db2.gz NLIRMPHANMXYKJ-SCRDCRAPSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCO)C2 ZINC001047150199 851674107 /nfs/dbraw/zinc/67/41/07/851674107.db2.gz NLIRMPHANMXYKJ-SCRDCRAPSA-N 2 2 292.383 0.304 20 0 CCADLP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001047532580 851804839 /nfs/dbraw/zinc/80/48/39/851804839.db2.gz IKPWFEBDAYFCAW-RFHZTLPTSA-N 2 2 292.383 0.047 20 0 CCADLP CC(C)=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047646630 851844983 /nfs/dbraw/zinc/84/49/83/851844983.db2.gz KSLHNVOIUVTFAH-KBPBESRZSA-N 2 2 292.383 0.353 20 0 CCADLP CC(C)=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047646630 851844991 /nfs/dbraw/zinc/84/49/91/851844991.db2.gz KSLHNVOIUVTFAH-KBPBESRZSA-N 2 2 292.383 0.353 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC000902497683 851961385 /nfs/dbraw/zinc/96/13/85/851961385.db2.gz AXLNFOXQPJFJIX-WOPDTQHZSA-N 2 2 277.372 0.349 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[N@@H+](CCF)C[C@@H]2C1 ZINC001049197825 852190380 /nfs/dbraw/zinc/19/03/80/852190380.db2.gz UNQSAOMKUHOLEO-BETUJISGSA-N 2 2 294.374 0.712 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[N@H+](CCF)C[C@@H]2C1 ZINC001049197825 852190383 /nfs/dbraw/zinc/19/03/83/852190383.db2.gz UNQSAOMKUHOLEO-BETUJISGSA-N 2 2 294.374 0.712 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCF ZINC001049929388 852398167 /nfs/dbraw/zinc/39/81/67/852398167.db2.gz AKFORSGOAFMSPM-OLZOCXBDSA-N 2 2 280.347 0.918 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCF ZINC001049929388 852398171 /nfs/dbraw/zinc/39/81/71/852398171.db2.gz AKFORSGOAFMSPM-OLZOCXBDSA-N 2 2 280.347 0.918 20 0 CCADLP COCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001096655509 852420655 /nfs/dbraw/zinc/42/06/55/852420655.db2.gz WGHAHVPPWDMMGU-AGIUHOORSA-N 2 2 278.356 0.251 20 0 CCADLP COCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001096655509 852420661 /nfs/dbraw/zinc/42/06/61/852420661.db2.gz WGHAHVPPWDMMGU-AGIUHOORSA-N 2 2 278.356 0.251 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@@H+](C[C@H](C)O)CC1 ZINC001052896724 852668418 /nfs/dbraw/zinc/66/84/18/852668418.db2.gz CXMMHNNZGGLMCF-WCQYABFASA-N 2 2 294.399 0.612 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@H+](C[C@H](C)O)CC1 ZINC001052896724 852668425 /nfs/dbraw/zinc/66/84/25/852668425.db2.gz CXMMHNNZGGLMCF-WCQYABFASA-N 2 2 294.399 0.612 20 0 CCADLP CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCO)CC1 ZINC001052984230 852679295 /nfs/dbraw/zinc/67/92/95/852679295.db2.gz HIVPKPPXONZHBS-GASCZTMLSA-N 2 2 295.427 0.528 20 0 CCADLP CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCO)CC1 ZINC001052984230 852679302 /nfs/dbraw/zinc/67/93/02/852679302.db2.gz HIVPKPPXONZHBS-GASCZTMLSA-N 2 2 295.427 0.528 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCC[N@@H+]1C)CCO2 ZINC001053181990 852703739 /nfs/dbraw/zinc/70/37/39/852703739.db2.gz CDEVVBAZAQUGEK-ZDUSSCGKSA-N 2 2 281.400 0.404 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCC[N@H+]1C)CCO2 ZINC001053181990 852703743 /nfs/dbraw/zinc/70/37/43/852703743.db2.gz CDEVVBAZAQUGEK-ZDUSSCGKSA-N 2 2 281.400 0.404 20 0 CCADLP CC(C)[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCC[N@@H+]1C)CCO2 ZINC001053190048 852706020 /nfs/dbraw/zinc/70/60/20/852706020.db2.gz JFRPNSLDNJWTEX-ZDUSSCGKSA-N 2 2 281.400 0.402 20 0 CCADLP CC(C)[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCC[N@H+]1C)CCO2 ZINC001053190048 852706026 /nfs/dbraw/zinc/70/60/26/852706026.db2.gz JFRPNSLDNJWTEX-ZDUSSCGKSA-N 2 2 281.400 0.402 20 0 CCADLP CN(C)c1ccc(C[N@H+](C)CCN2CC[NH+](C)CC2)cn1 ZINC001139458541 852954585 /nfs/dbraw/zinc/95/45/85/852954585.db2.gz CUTJHHRNZOFHAE-UHFFFAOYSA-N 2 2 291.443 0.827 20 0 CCADLP CC[N@H+](C)CCOCCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001264111256 853264231 /nfs/dbraw/zinc/26/42/31/853264231.db2.gz CXGVWKUBBVZWGV-UHFFFAOYSA-N 2 2 282.388 0.687 20 0 CCADLP CC[N@@H+](C)CCOCCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001264111256 853264240 /nfs/dbraw/zinc/26/42/40/853264240.db2.gz CXGVWKUBBVZWGV-UHFFFAOYSA-N 2 2 282.388 0.687 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001050107722 853314938 /nfs/dbraw/zinc/31/49/38/853314938.db2.gz VLEBXWRIFUETAF-UONOGXRCSA-N 2 2 292.383 0.188 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001050107722 853314947 /nfs/dbraw/zinc/31/49/47/853314947.db2.gz VLEBXWRIFUETAF-UONOGXRCSA-N 2 2 292.383 0.188 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001050849082 853460066 /nfs/dbraw/zinc/46/00/66/853460066.db2.gz SLZJRHAFUUWEQS-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001050849082 853460070 /nfs/dbraw/zinc/46/00/70/853460070.db2.gz SLZJRHAFUUWEQS-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP CCCC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001050849082 853460073 /nfs/dbraw/zinc/46/00/73/853460073.db2.gz SLZJRHAFUUWEQS-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP CCCC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001050849082 853460076 /nfs/dbraw/zinc/46/00/76/853460076.db2.gz SLZJRHAFUUWEQS-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1COCC[NH+]1CCC1CC1 ZINC001050848880 853460564 /nfs/dbraw/zinc/46/05/64/853460564.db2.gz PZYOLBGTRYIJBL-GJZGRUSLSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1COCC[NH+]1CCC1CC1 ZINC001050848880 853460568 /nfs/dbraw/zinc/46/05/68/853460568.db2.gz PZYOLBGTRYIJBL-GJZGRUSLSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1COCC[N@@H+]1CCC1CC1 ZINC001050848880 853460578 /nfs/dbraw/zinc/46/05/78/853460578.db2.gz PZYOLBGTRYIJBL-GJZGRUSLSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1COCC[N@H+]1CCC1CC1 ZINC001050848880 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Cc1nn(CCO)c(C)c1C[NH2+][C@@H](C[NH3+])CC(C)C ZINC001325266523 913308851 /nfs/dbraw/zinc/30/88/51/913308851.db2.gz CHSNDWNEXKQUJN-CYBMUJFWSA-N 2 2 268.405 0.955 20 0 CCADLP COCC[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC001394686263 913363990 /nfs/dbraw/zinc/36/39/90/913363990.db2.gz BTVOPKJCMYHFEF-TZMCWYRMSA-N 2 2 294.399 0.958 20 0 CCADLP COCC[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC001394686263 913363956 /nfs/dbraw/zinc/36/39/56/913363956.db2.gz BTVOPKJCMYHFEF-TZMCWYRMSA-N 2 2 294.399 0.958 20 0 CCADLP COCC[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC001394686263 913363974 /nfs/dbraw/zinc/36/39/74/913363974.db2.gz BTVOPKJCMYHFEF-TZMCWYRMSA-N 2 2 294.399 0.958 20 0 CCADLP COCC[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC001394686263 913364007 /nfs/dbraw/zinc/36/40/07/913364007.db2.gz BTVOPKJCMYHFEF-TZMCWYRMSA-N 2 2 294.399 0.958 20 0 CCADLP CN(C[C@H](O)C[NH2+]CC1CCC1)C(=O)CCn1cc[nH+]c1 ZINC001394748882 913403208 /nfs/dbraw/zinc/40/32/08/913403208.db2.gz YTBCSBYYMUXHHS-CQSZACIVSA-N 2 2 294.399 0.482 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1[C@H]2C[N@H+](CCCF)C[C@H]21 ZINC001114956373 891416327 /nfs/dbraw/zinc/41/63/27/891416327.db2.gz GISOARJTJZNFNS-SCUASFONSA-N 2 2 294.374 0.994 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCF)C[C@H]21 ZINC001114956373 891416335 /nfs/dbraw/zinc/41/63/35/891416335.db2.gz GISOARJTJZNFNS-SCUASFONSA-N 2 2 294.374 0.994 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1[C@H]2C[N@H+](CCCF)C[C@H]21 ZINC001114956373 891416340 /nfs/dbraw/zinc/41/63/40/891416340.db2.gz GISOARJTJZNFNS-SCUASFONSA-N 2 2 294.374 0.994 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCF)C[C@H]21 ZINC001114956373 891416349 /nfs/dbraw/zinc/41/63/49/891416349.db2.gz GISOARJTJZNFNS-SCUASFONSA-N 2 2 294.374 0.994 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001480885918 891576592 /nfs/dbraw/zinc/57/65/92/891576592.db2.gz ZXYLVDCBZIBATH-QWHCGFSZSA-N 2 2 294.399 0.528 20 0 CCADLP CC[C@H](C[NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1)OC ZINC001496193656 891928300 /nfs/dbraw/zinc/92/83/00/891928300.db2.gz ROAMDRCHCUKRJP-NWDGAFQWSA-N 2 2 282.388 0.814 20 0 CCADLP CO[C@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001481066101 892125933 /nfs/dbraw/zinc/12/59/33/892125933.db2.gz QXAHWLKWBUYYDN-OLZOCXBDSA-N 2 2 294.399 0.578 20 0 CCADLP CO[C@H](C)C[N@H+]1CCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001481066101 892125938 /nfs/dbraw/zinc/12/59/38/892125938.db2.gz QXAHWLKWBUYYDN-OLZOCXBDSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001341747756 892589036 /nfs/dbraw/zinc/58/90/36/892589036.db2.gz JAZJUVLXZNFHMW-VHSXEESVSA-N 2 2 250.346 0.883 20 0 CCADLP C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1C[NH3+] ZINC001341874921 892608288 /nfs/dbraw/zinc/60/82/88/892608288.db2.gz DONRAWFGFFTVAQ-NWDGAFQWSA-N 2 2 250.346 0.717 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@H]([NH3+])C[C@H](C)CC)CC1 ZINC001343372160 892882033 /nfs/dbraw/zinc/88/20/33/892882033.db2.gz QBLHSBYIOYJTIJ-ZIAGYGMSSA-N 2 2 285.432 0.931 20 0 CCADLP CC[C@H](C(=O)NCC1C[NH+](Cc2cnc(C)o2)C1)[NH+](C)C ZINC001481629954 892934175 /nfs/dbraw/zinc/93/41/75/892934175.db2.gz AXQSOCYMLKAHLI-CQSZACIVSA-N 2 2 294.399 0.871 20 0 CCADLP Cn1cc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC[NH+](C)C)cn1 ZINC001481676385 892991251 /nfs/dbraw/zinc/99/12/51/892991251.db2.gz FDKDHDPYUNXPAU-KBPBESRZSA-N 2 2 291.399 0.157 20 0 CCADLP Cn1cc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC[NH+](C)C)cn1 ZINC001481676385 892991261 /nfs/dbraw/zinc/99/12/61/892991261.db2.gz FDKDHDPYUNXPAU-KBPBESRZSA-N 2 2 291.399 0.157 20 0 CCADLP CC[NH2+]CCN(CCO)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001326103777 913752364 /nfs/dbraw/zinc/75/23/64/913752364.db2.gz PFHBZSKXGQCIRG-LBPRGKRZSA-N 2 2 268.361 0.265 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC[NH+](C)C)o1 ZINC001409429198 895180575 /nfs/dbraw/zinc/18/05/75/895180575.db2.gz ZSCQLDUIPMMLBX-WDEREUQCSA-N 2 2 297.403 0.703 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H](CC[NH2+]CCO)C1 ZINC001326423636 913945080 /nfs/dbraw/zinc/94/50/80/913945080.db2.gz HZQCBJAUFRHHTM-ZDUSSCGKSA-N 2 2 294.399 0.173 20 0 CCADLP COCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001409576534 895261038 /nfs/dbraw/zinc/26/10/38/895261038.db2.gz JBXVUHOQXWPUKO-QWHCGFSZSA-N 2 2 294.399 0.528 20 0 CCADLP COCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001409576534 895261052 /nfs/dbraw/zinc/26/10/52/895261052.db2.gz JBXVUHOQXWPUKO-QWHCGFSZSA-N 2 2 294.399 0.528 20 0 CCADLP C[C@H](C[N@H+](C)CCCO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001483390372 895528485 /nfs/dbraw/zinc/52/84/85/895528485.db2.gz PVQWYUFIMAJVNN-JHJVBQTASA-N 2 2 294.399 0.343 20 0 CCADLP C[C@H](C[N@@H+](C)CCCO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001483390372 895528488 /nfs/dbraw/zinc/52/84/88/895528488.db2.gz PVQWYUFIMAJVNN-JHJVBQTASA-N 2 2 294.399 0.343 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@H]1C[NH2+]CCCO ZINC001483932292 896124673 /nfs/dbraw/zinc/12/46/73/896124673.db2.gz BZPSWWJFPDRRSI-ZDUSSCGKSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@H]1C[NH2+]CCCO ZINC001483932292 896124684 /nfs/dbraw/zinc/12/46/84/896124684.db2.gz BZPSWWJFPDRRSI-ZDUSSCGKSA-N 2 2 280.372 0.305 20 0 CCADLP CCC[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CCOCC1 ZINC001484190166 896226937 /nfs/dbraw/zinc/22/69/37/896226937.db2.gz FKFFWHNQRYHXGQ-UHFFFAOYSA-N 2 2 294.399 0.628 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+]Cc1ccnn1C ZINC001493775361 896367883 /nfs/dbraw/zinc/36/78/83/896367883.db2.gz RMBGJRWZEFEXCU-UHFFFAOYSA-N 2 2 290.371 0.242 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1COCC[NH+]1CCC1CC1 ZINC001484609380 896497993 /nfs/dbraw/zinc/49/79/93/896497993.db2.gz FDRFIZSGSZRRBR-OAHLLOKOSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1COCC[NH+]1CCC1CC1 ZINC001484609380 896498004 /nfs/dbraw/zinc/49/80/04/896498004.db2.gz FDRFIZSGSZRRBR-OAHLLOKOSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1COCC[N@@H+]1CCC1CC1 ZINC001484609380 896498014 /nfs/dbraw/zinc/49/80/14/896498014.db2.gz FDRFIZSGSZRRBR-OAHLLOKOSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1COCC[N@H+]1CCC1CC1 ZINC001484609380 896498021 /nfs/dbraw/zinc/49/80/21/896498021.db2.gz FDRFIZSGSZRRBR-OAHLLOKOSA-N 2 2 297.443 0.944 20 0 CCADLP CC[NH2+]C1(CNC(=O)CCc2c[nH+]c[nH]2)CCC1 ZINC001484637323 896514032 /nfs/dbraw/zinc/51/40/32/896514032.db2.gz YSPNLGXMKOQJTB-UHFFFAOYSA-N 2 2 250.346 0.991 20 0 CCADLP CC[NH2+]C1(CNC(=O)CCc2c[nH]c[nH+]2)CCC1 ZINC001484637323 896514018 /nfs/dbraw/zinc/51/40/18/896514018.db2.gz YSPNLGXMKOQJTB-UHFFFAOYSA-N 2 2 250.346 0.991 20 0 CCADLP COCC[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001484655858 896520490 /nfs/dbraw/zinc/52/04/90/896520490.db2.gz DMJKUDFCGZFVKW-UHFFFAOYSA-N 2 2 266.345 0.227 20 0 CCADLP CCC[NH2+][C@@]1(CO)CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001484842968 896630307 /nfs/dbraw/zinc/63/03/07/896630307.db2.gz YSADBSFVYPTWKR-HNNXBMFYSA-N 2 2 294.399 0.695 20 0 CCADLP CCC[NH2+][C@@]1(CO)CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001484842968 896630317 /nfs/dbraw/zinc/63/03/17/896630317.db2.gz YSADBSFVYPTWKR-HNNXBMFYSA-N 2 2 294.399 0.695 20 0 CCADLP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H](C)n2cc[nH+]c2)CCO1 ZINC001326673792 914091085 /nfs/dbraw/zinc/09/10/85/914091085.db2.gz BGJOLBBWCUSFEB-GARJFASQSA-N 2 2 252.318 0.019 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001485604702 897142709 /nfs/dbraw/zinc/14/27/09/897142709.db2.gz XORBYOVRTIWJDK-ZRJCITRHSA-N 2 2 292.383 0.017 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001485604702 897142691 /nfs/dbraw/zinc/14/26/91/897142691.db2.gz XORBYOVRTIWJDK-ZRJCITRHSA-N 2 2 292.383 0.017 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001485604702 897142701 /nfs/dbraw/zinc/14/27/01/897142701.db2.gz XORBYOVRTIWJDK-ZRJCITRHSA-N 2 2 292.383 0.017 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001485604702 897142718 /nfs/dbraw/zinc/14/27/18/897142718.db2.gz XORBYOVRTIWJDK-ZRJCITRHSA-N 2 2 292.383 0.017 20 0 CCADLP O=C(N[C@H]1C[C@H](C[NH2+]CCF)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001485687644 897183775 /nfs/dbraw/zinc/18/37/75/897183775.db2.gz KKOUMOIAXOJCNH-JHJVBQTASA-N 2 2 294.374 0.899 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001326745367 914135506 /nfs/dbraw/zinc/13/55/06/914135506.db2.gz WYEYWYXALJKEDG-VXGBXAGGSA-N 2 2 264.373 0.998 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001326745367 914135515 /nfs/dbraw/zinc/13/55/15/914135515.db2.gz WYEYWYXALJKEDG-VXGBXAGGSA-N 2 2 264.373 0.998 20 0 CCADLP C[C@@H](CCC[NH2+]CCF)NC(=O)Cc1[nH]cc[nH+]1 ZINC001485742279 897213953 /nfs/dbraw/zinc/21/39/53/897213953.db2.gz BOGJPUJAHUTGPK-JTQLQIEISA-N 2 2 256.325 0.796 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CC[NH3+])CC2)CC1 ZINC001326783289 914168795 /nfs/dbraw/zinc/16/87/95/914168795.db2.gz FZUPXJOMXYMBJQ-UHFFFAOYSA-N 3 2 268.405 0.010 20 0 CCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCc1c[nH+]cn1C ZINC000529328588 898013284 /nfs/dbraw/zinc/01/32/84/898013284.db2.gz VAAWIOBUFCNOTH-LBPRGKRZSA-N 2 2 265.361 0.560 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1CNC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001326844468 914224696 /nfs/dbraw/zinc/22/46/96/914224696.db2.gz UGAAVFDMLZKERJ-CVEARBPZSA-N 2 2 296.459 0.075 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1CNC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001326844468 914224703 /nfs/dbraw/zinc/22/47/03/914224703.db2.gz UGAAVFDMLZKERJ-CVEARBPZSA-N 2 2 296.459 0.075 20 0 CCADLP CC[C@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001078183591 898281133 /nfs/dbraw/zinc/28/11/33/898281133.db2.gz ZZODSXPNIFHFTF-YNEHKIRRSA-N 2 2 298.362 0.101 20 0 CCADLP CC[C@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001078183591 898281146 /nfs/dbraw/zinc/28/11/46/898281146.db2.gz ZZODSXPNIFHFTF-YNEHKIRRSA-N 2 2 298.362 0.101 20 0 CCADLP CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001485891039 898489164 /nfs/dbraw/zinc/48/91/64/898489164.db2.gz PVCUCMJSLQZHFO-RYUDHWBXSA-N 2 2 264.373 0.902 20 0 CCADLP C[C@H](CC(=O)NC[C@@H](CO)[NH2+]CC1CC1)n1cc[nH+]c1 ZINC001486040128 898606357 /nfs/dbraw/zinc/60/63/57/898606357.db2.gz RNAQMOPOJSCUPL-YPMHNXCESA-N 2 2 280.372 0.311 20 0 CCADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001397574869 914280159 /nfs/dbraw/zinc/28/01/59/914280159.db2.gz JUBFPBJKVWNIKZ-STQMWFEESA-N 2 2 298.431 0.123 20 0 CCADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001397574869 914280175 /nfs/dbraw/zinc/28/01/75/914280175.db2.gz JUBFPBJKVWNIKZ-STQMWFEESA-N 2 2 298.431 0.123 20 0 CCADLP CC[C@@H](C(N)=O)[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+](C)C(C)C ZINC001397574869 914280186 /nfs/dbraw/zinc/28/01/86/914280186.db2.gz JUBFPBJKVWNIKZ-STQMWFEESA-N 2 2 298.431 0.123 20 0 CCADLP CC[C@@H](C(N)=O)[NH+]1CC[C@H]1CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001397574869 914280196 /nfs/dbraw/zinc/28/01/96/914280196.db2.gz JUBFPBJKVWNIKZ-STQMWFEESA-N 2 2 298.431 0.123 20 0 CCADLP CCC[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001486312116 898785475 /nfs/dbraw/zinc/78/54/75/898785475.db2.gz VCAKLKVRNWEGPK-LLVKDONJSA-N 2 2 282.388 0.506 20 0 CCADLP CN(C[C@H](O)C[N@H+](C)CCC1CC1)C(=O)Cn1cc[nH+]c1 ZINC001486359958 898813208 /nfs/dbraw/zinc/81/32/08/898813208.db2.gz HIVSZKCYZQMMQP-CQSZACIVSA-N 2 2 294.399 0.434 20 0 CCADLP CN(C[C@H](O)C[N@@H+](C)CCC1CC1)C(=O)Cn1cc[nH+]c1 ZINC001486359958 898813218 /nfs/dbraw/zinc/81/32/18/898813218.db2.gz HIVSZKCYZQMMQP-CQSZACIVSA-N 2 2 294.399 0.434 20 0 CCADLP COC[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001410419224 899399728 /nfs/dbraw/zinc/39/97/28/899399728.db2.gz IWGOJVWRIPVEHJ-CHWSQXEVSA-N 2 2 282.388 0.745 20 0 CCADLP C[C@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+]Cc1cnsn1 ZINC001410436279 899408244 /nfs/dbraw/zinc/40/82/44/899408244.db2.gz MMTXONQGFWTMDT-LLVKDONJSA-N 2 2 299.444 0.816 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CCO[C@@H]1CC1(F)F ZINC001134397945 899833895 /nfs/dbraw/zinc/83/38/95/899833895.db2.gz ZGLCOAMBUUQAMY-SNVBAGLBSA-N 2 2 288.298 0.082 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001488683385 900341299 /nfs/dbraw/zinc/34/12/99/900341299.db2.gz FUEWQHSTMFHLTF-RYUDHWBXSA-N 2 2 294.399 0.601 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001488683385 900341308 /nfs/dbraw/zinc/34/13/08/900341308.db2.gz FUEWQHSTMFHLTF-RYUDHWBXSA-N 2 2 294.399 0.601 20 0 CCADLP Cc1cnc(C[N@@H+](C)CCCNC(=O)CC[NH+](C)C)nc1 ZINC001490245306 900577608 /nfs/dbraw/zinc/57/76/08/900577608.db2.gz PZRZSXIUBZWNIB-UHFFFAOYSA-N 2 2 293.415 0.675 20 0 CCADLP Cc1cnc(C[N@H+](C)CCCNC(=O)CC[NH+](C)C)nc1 ZINC001490245306 900577614 /nfs/dbraw/zinc/57/76/14/900577614.db2.gz PZRZSXIUBZWNIB-UHFFFAOYSA-N 2 2 293.415 0.675 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](CC[NH2+]CCO)C1 ZINC001326419651 901420817 /nfs/dbraw/zinc/42/08/17/901420817.db2.gz QNAXHHNPKJHHNE-LBPRGKRZSA-N 2 2 280.372 0.081 20 0 CCADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001412485901 901760729 /nfs/dbraw/zinc/76/07/29/901760729.db2.gz IIQSJLXBXXISFG-GVXVVHGQSA-N 2 2 280.372 0.302 20 0 CCADLP Cc1[nH]c(CNC(=O)C[NH+]2CCC(CO)CC2)c(C)[nH+]1 ZINC001412659636 901913661 /nfs/dbraw/zinc/91/36/61/901913661.db2.gz CJYVQSVXRLLNRJ-UHFFFAOYSA-N 2 2 280.372 0.347 20 0 CCADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1CCC[NH+]1CCOCC1 ZINC001413015202 902482034 /nfs/dbraw/zinc/48/20/34/902482034.db2.gz UPFKXKZIHKZLLQ-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1CCC[NH+]1CCOCC1 ZINC001413015202 902482040 /nfs/dbraw/zinc/48/20/40/902482040.db2.gz UPFKXKZIHKZLLQ-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2nonc2C)CC1 ZINC001413016512 902482232 /nfs/dbraw/zinc/48/22/32/902482232.db2.gz XLOBBIMUZLDMFW-UHFFFAOYSA-N 2 2 281.404 0.884 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1 ZINC001413090250 902697210 /nfs/dbraw/zinc/69/72/10/902697210.db2.gz YHPDIGFWSKZLDU-GXTWGEPZSA-N 2 2 297.424 0.719 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1 ZINC001413090250 902697220 /nfs/dbraw/zinc/69/72/20/902697220.db2.gz YHPDIGFWSKZLDU-GXTWGEPZSA-N 2 2 297.424 0.719 20 0 CCADLP O=C(N[C@H]1C[C@H]([NH2+]CCCO)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001490905913 903203251 /nfs/dbraw/zinc/20/32/51/903203251.db2.gz YQYMRTUHIUNAEP-JHJVBQTASA-N 2 2 292.383 0.065 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001491264318 903474541 /nfs/dbraw/zinc/47/45/41/903474541.db2.gz KIMRVSOKFDCTAY-DGCLKSJQSA-N 2 2 280.372 0.304 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+]Cc1ocnc1C ZINC001491528369 903643011 /nfs/dbraw/zinc/64/30/11/903643011.db2.gz MGFMWZYWRHIVAF-SNVBAGLBSA-N 2 2 291.355 0.782 20 0 CCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1[NH2+]CCCO ZINC001216396924 903859184 /nfs/dbraw/zinc/85/91/84/903859184.db2.gz ITZJBEDIMLPJJS-VXGBXAGGSA-N 2 2 294.399 0.506 20 0 CCADLP Cc1noc([C@H](C)[NH2+][C@H](C)CNC(=O)CC[NH+](C)C)n1 ZINC001491567179 904099727 /nfs/dbraw/zinc/09/97/27/904099727.db2.gz DGDGGJLGJPCGRH-ZJUUUORDSA-N 2 2 283.376 0.485 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NC[C@@H]1CC[N@H+](CCF)C1 ZINC001377447519 904896350 /nfs/dbraw/zinc/89/63/50/904896350.db2.gz PSZKPSDTPQCVSS-LBPRGKRZSA-N 2 2 282.363 0.760 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NC[C@@H]1CC[N@@H+](CCF)C1 ZINC001377447519 904896365 /nfs/dbraw/zinc/89/63/65/904896365.db2.gz PSZKPSDTPQCVSS-LBPRGKRZSA-N 2 2 282.363 0.760 20 0 CCADLP CC[C@H](C[N@@H+]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1)OC ZINC001377463221 904912288 /nfs/dbraw/zinc/91/22/88/904912288.db2.gz NSEOUGQOZKWADB-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP CC[C@H](C[N@H+]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1)OC ZINC001377463221 904912299 /nfs/dbraw/zinc/91/22/99/904912299.db2.gz NSEOUGQOZKWADB-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)CCNC(=O)Cn2cc[nH+]c2)o1 ZINC001377535947 904975317 /nfs/dbraw/zinc/97/53/17/904975317.db2.gz QCDAIPRARQNRQP-JTQLQIEISA-N 2 2 292.343 0.259 20 0 CCADLP CCOCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001327923646 914863827 /nfs/dbraw/zinc/86/38/27/914863827.db2.gz IHIPJRORRZZUGY-NWDGAFQWSA-N 2 2 280.372 0.425 20 0 CCADLP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)c1ncccn1 ZINC001377584271 905020360 /nfs/dbraw/zinc/02/03/60/905020360.db2.gz CLVRAYCJWHLXDM-STQMWFEESA-N 2 2 291.399 0.680 20 0 CCADLP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C)c1ncccn1 ZINC001377584271 905020380 /nfs/dbraw/zinc/02/03/80/905020380.db2.gz CLVRAYCJWHLXDM-STQMWFEESA-N 2 2 291.399 0.680 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]1C[N@@H+](C)C[C@H](C)O ZINC001377666790 905082930 /nfs/dbraw/zinc/08/29/30/905082930.db2.gz IFKXGNAECUMZHW-AAEUAGOBSA-N 2 2 294.399 0.564 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]1C[N@H+](C)C[C@H](C)O ZINC001377666790 905082947 /nfs/dbraw/zinc/08/29/47/905082947.db2.gz IFKXGNAECUMZHW-AAEUAGOBSA-N 2 2 294.399 0.564 20 0 CCADLP COCCCC[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001284829781 905441890 /nfs/dbraw/zinc/44/18/90/905441890.db2.gz QSRBAEXIAHQWAS-UHFFFAOYSA-N 2 2 294.399 0.889 20 0 CCADLP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC1CCOCC1 ZINC001378313036 905589155 /nfs/dbraw/zinc/58/91/55/905589155.db2.gz UZOGVOQKVWGADR-ZDUSSCGKSA-N 2 2 294.399 0.863 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC1CC[NH+](CCO)CC1 ZINC001378494378 905641991 /nfs/dbraw/zinc/64/19/91/905641991.db2.gz JURGNMZCXSXPBT-UHFFFAOYSA-N 2 2 280.372 0.094 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N(C)C[C@H](C)[NH2+]Cc1cnon1 ZINC001379186115 906049750 /nfs/dbraw/zinc/04/97/50/906049750.db2.gz FVZPWOGDBQKHEY-JTQLQIEISA-N 2 2 292.343 0.211 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)CN(C)C(=O)CCC[NH+](C)C)o1 ZINC001379220408 906070059 /nfs/dbraw/zinc/07/00/59/906070059.db2.gz KUIUULCUZSMCQN-NSHDSACASA-N 2 2 297.403 0.656 20 0 CCADLP C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]CCn1cccn1 ZINC001379276825 906110247 /nfs/dbraw/zinc/11/02/47/906110247.db2.gz TYTUJVSGVGGXBW-GFCCVEGCSA-N 2 2 290.371 0.285 20 0 CCADLP CC[NH+]1CCC([NH2+][C@H](C)[C@H]2CN(C)CCN2C)CC1 ZINC000829179536 906164689 /nfs/dbraw/zinc/16/46/89/906164689.db2.gz HCWXYQCKWHNWSI-UKRRQHHQSA-N 2 2 268.449 0.695 20 0 CCADLP CCc1noc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C)n1 ZINC001379449596 906247901 /nfs/dbraw/zinc/24/79/01/906247901.db2.gz IVFYMIZFGVMRNJ-GHMZBOCLSA-N 2 2 297.403 0.567 20 0 CCADLP C[C@@H](C[NH2+]CC1CC1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001379520921 906318553 /nfs/dbraw/zinc/31/85/53/906318553.db2.gz PFCWNXLWDKGHQL-WCQYABFASA-N 2 2 276.384 0.950 20 0 CCADLP CC(C)[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001379799304 906483723 /nfs/dbraw/zinc/48/37/23/906483723.db2.gz IWSTWQOLSSJZER-JSGCOSHPSA-N 2 2 294.399 0.263 20 0 CCADLP Cc1conc1C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001380069268 906622035 /nfs/dbraw/zinc/62/20/35/906622035.db2.gz SNYAFLVSZYGFPU-CYBMUJFWSA-N 2 2 292.383 0.816 20 0 CCADLP Cc1conc1C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001380069268 906622044 /nfs/dbraw/zinc/62/20/44/906622044.db2.gz SNYAFLVSZYGFPU-CYBMUJFWSA-N 2 2 292.383 0.816 20 0 CCADLP COCC[N@@H+]1CC[C@](C)(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001380396754 906757681 /nfs/dbraw/zinc/75/76/81/906757681.db2.gz WWKNGTAGJVZCBV-HNNXBMFYSA-N 2 2 294.399 0.890 20 0 CCADLP COCC[N@H+]1CC[C@](C)(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001380396754 906757690 /nfs/dbraw/zinc/75/76/90/906757690.db2.gz WWKNGTAGJVZCBV-HNNXBMFYSA-N 2 2 294.399 0.890 20 0 CCADLP CC[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1cnon1)[NH+](C)C ZINC001380966537 907022249 /nfs/dbraw/zinc/02/22/49/907022249.db2.gz RNLMYQGDDDPBKR-ZDUSSCGKSA-N 2 2 297.403 0.690 20 0 CCADLP CC[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1cnon1)[NH+](C)C ZINC001380966537 907022271 /nfs/dbraw/zinc/02/22/71/907022271.db2.gz RNLMYQGDDDPBKR-ZDUSSCGKSA-N 2 2 297.403 0.690 20 0 CCADLP CC[NH2+][C@@]1(CO)CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001381050015 907055326 /nfs/dbraw/zinc/05/53/26/907055326.db2.gz ZUWPZJSKWZUIGR-AWEZNQCLSA-N 2 2 280.372 0.305 20 0 CCADLP CC[NH2+][C@@]1(CO)CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001381050015 907055338 /nfs/dbraw/zinc/05/53/38/907055338.db2.gz ZUWPZJSKWZUIGR-AWEZNQCLSA-N 2 2 280.372 0.305 20 0 CCADLP CO[C@H](C)C[N@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001381301842 907152053 /nfs/dbraw/zinc/15/20/53/907152053.db2.gz PRMVPCUNYJLSCR-TZMCWYRMSA-N 2 2 294.399 0.910 20 0 CCADLP CO[C@H](C)C[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001381301842 907152061 /nfs/dbraw/zinc/15/20/61/907152061.db2.gz PRMVPCUNYJLSCR-TZMCWYRMSA-N 2 2 294.399 0.910 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC001337928009 921303578 /nfs/dbraw/zinc/30/35/78/921303578.db2.gz FILFTXNEZQNMQL-SNVBAGLBSA-N 2 2 251.334 0.443 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccn(C)n1 ZINC001381616053 907331311 /nfs/dbraw/zinc/33/13/11/907331311.db2.gz DNGVFMJAMBWENB-OLZOCXBDSA-N 2 2 293.415 0.308 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)Cc1ccn(C)n1 ZINC001381616053 907331328 /nfs/dbraw/zinc/33/13/28/907331328.db2.gz DNGVFMJAMBWENB-OLZOCXBDSA-N 2 2 293.415 0.308 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@H+](C)Cc1ccn(C)n1 ZINC001381616053 907331346 /nfs/dbraw/zinc/33/13/46/907331346.db2.gz DNGVFMJAMBWENB-OLZOCXBDSA-N 2 2 293.415 0.308 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@@H+](C)Cc1ccn(C)n1 ZINC001381616053 907331364 /nfs/dbraw/zinc/33/13/64/907331364.db2.gz DNGVFMJAMBWENB-OLZOCXBDSA-N 2 2 293.415 0.308 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CC[C@H]1CCCO1 ZINC001491637132 907473965 /nfs/dbraw/zinc/47/39/65/907473965.db2.gz IJSFPUGHISYSJZ-TZMCWYRMSA-N 2 2 294.399 0.626 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001491858943 907607454 /nfs/dbraw/zinc/60/74/54/907607454.db2.gz NBAFXBFFGOOQSC-UONOGXRCSA-N 2 2 294.399 0.482 20 0 CCADLP CO[C@H](C)C[NH2+][C@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001492101712 907702419 /nfs/dbraw/zinc/70/24/19/907702419.db2.gz KCMPUHVOLRRHHU-GHMZBOCLSA-N 2 2 268.361 0.472 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CC(C)C ZINC001382484012 907765661 /nfs/dbraw/zinc/76/56/61/907765661.db2.gz QJWUIGZRZBOSMQ-ZDUSSCGKSA-N 2 2 296.415 0.668 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](O)C[N@H+](C)CC(C)C ZINC001382484012 907765666 /nfs/dbraw/zinc/76/56/66/907765666.db2.gz QJWUIGZRZBOSMQ-ZDUSSCGKSA-N 2 2 296.415 0.668 20 0 CCADLP Cc1nnc(C[N@H+](C)CCCNC(=O)[C@@H]2CC[NH+](C)C2)o1 ZINC001316865963 908573461 /nfs/dbraw/zinc/57/34/61/908573461.db2.gz SVJSLCPYZOWPTI-GFCCVEGCSA-N 2 2 295.387 0.268 20 0 CCADLP Cc1nnc(C[N@@H+](C)CCCNC(=O)[C@@H]2CC[NH+](C)C2)o1 ZINC001316865963 908573472 /nfs/dbraw/zinc/57/34/72/908573472.db2.gz SVJSLCPYZOWPTI-GFCCVEGCSA-N 2 2 295.387 0.268 20 0 CCADLP Cc1nnc(C[NH+](C)CCCNC(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001316865963 908573481 /nfs/dbraw/zinc/57/34/81/908573481.db2.gz SVJSLCPYZOWPTI-GFCCVEGCSA-N 2 2 295.387 0.268 20 0 CCADLP Cc1nnc(C[NH+](C)CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001316865963 908573489 /nfs/dbraw/zinc/57/34/89/908573489.db2.gz SVJSLCPYZOWPTI-GFCCVEGCSA-N 2 2 295.387 0.268 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCCC[N@H+](C)CCF ZINC001316863797 908808123 /nfs/dbraw/zinc/80/81/23/908808123.db2.gz QWKGINNONOSTLJ-UHFFFAOYSA-N 2 2 270.352 0.760 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCCC[N@@H+](C)CCF ZINC001316863797 908808134 /nfs/dbraw/zinc/80/81/34/908808134.db2.gz QWKGINNONOSTLJ-UHFFFAOYSA-N 2 2 270.352 0.760 20 0 CCADLP CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001317122351 908997909 /nfs/dbraw/zinc/99/79/09/908997909.db2.gz HUZUKMMGWKXSBW-GARJFASQSA-N 2 2 268.336 0.937 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001417628372 921467611 /nfs/dbraw/zinc/46/76/11/921467611.db2.gz QDASKPLGOBDGHZ-KBPBESRZSA-N 2 2 292.383 0.249 20 0 CCADLP O=C(NCCCCn1cc[nH+]c1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001338472411 921477608 /nfs/dbraw/zinc/47/76/08/921477608.db2.gz AGTMMRFOSLDMJG-UONOGXRCSA-N 2 2 291.399 0.914 20 0 CCADLP C[C@H]1CC[N@H+](CC[NH2+]C[C@H](O)CCC2(O)CCC2)C1 ZINC001338493300 921485014 /nfs/dbraw/zinc/48/50/14/921485014.db2.gz ZDZADEHIWUKYME-UONOGXRCSA-N 2 2 270.417 0.974 20 0 CCADLP C[C@H]1CC[N@@H+](CC[NH2+]C[C@H](O)CCC2(O)CCC2)C1 ZINC001338493300 921485020 /nfs/dbraw/zinc/48/50/20/921485020.db2.gz ZDZADEHIWUKYME-UONOGXRCSA-N 2 2 270.417 0.974 20 0 CCADLP CN(CC[NH2+]Cc1ccc(F)cn1)C(=O)Cn1cc[nH+]c1 ZINC001317665772 909461270 /nfs/dbraw/zinc/46/12/70/909461270.db2.gz ARERFSWKCVIEIX-UHFFFAOYSA-N 2 2 291.330 0.665 20 0 CCADLP C[C@@H](CC(=O)N(C)C[C@@H]1CC[N@@H+]1CCO)n1cc[nH+]c1 ZINC001388654116 909532826 /nfs/dbraw/zinc/53/28/26/909532826.db2.gz XWZMKMOSGZNYDR-STQMWFEESA-N 2 2 280.372 0.359 20 0 CCADLP C[C@@H](CC(=O)N(C)C[C@@H]1CC[N@H+]1CCO)n1cc[nH+]c1 ZINC001388654116 909532836 /nfs/dbraw/zinc/53/28/36/909532836.db2.gz XWZMKMOSGZNYDR-STQMWFEESA-N 2 2 280.372 0.359 20 0 CCADLP CC(C)=CC[NH+]1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001318179873 909653138 /nfs/dbraw/zinc/65/31/38/909653138.db2.gz PLHHBWYBRMEAPN-UHFFFAOYSA-N 2 2 262.357 0.897 20 0 CCADLP CCOCC[N@@H+]1CC[C@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001318446541 909760244 /nfs/dbraw/zinc/76/02/44/909760244.db2.gz RXNNPUIIOHELAE-ZDUSSCGKSA-N 2 2 294.399 0.830 20 0 CCADLP CCOCC[N@H+]1CC[C@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001318446541 909760249 /nfs/dbraw/zinc/76/02/49/909760249.db2.gz RXNNPUIIOHELAE-ZDUSSCGKSA-N 2 2 294.399 0.830 20 0 CCADLP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001389489235 909933533 /nfs/dbraw/zinc/93/35/33/909933533.db2.gz WEBGHVYGOOVZGW-CQSZACIVSA-N 2 2 294.374 0.863 20 0 CCADLP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001389489235 909933546 /nfs/dbraw/zinc/93/35/46/909933546.db2.gz WEBGHVYGOOVZGW-CQSZACIVSA-N 2 2 294.374 0.863 20 0 CCADLP C[C@H](O)CCC[NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001319551981 910199565 /nfs/dbraw/zinc/19/95/65/910199565.db2.gz PBOVKTPPTSNJAY-RYUDHWBXSA-N 2 2 282.388 0.550 20 0 CCADLP C[C@H](O)C[NH2+]CC[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001319791758 910299150 /nfs/dbraw/zinc/29/91/50/910299150.db2.gz USCJNHLMFRUMMP-KBPBESRZSA-N 2 2 294.399 0.625 20 0 CCADLP Cc1nonc1C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001390407387 910403069 /nfs/dbraw/zinc/40/30/69/910403069.db2.gz UGHPOKHPRFSMGC-JTQLQIEISA-N 2 2 295.387 0.457 20 0 CCADLP Cc1nonc1C[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001390407387 910403077 /nfs/dbraw/zinc/40/30/77/910403077.db2.gz UGHPOKHPRFSMGC-JTQLQIEISA-N 2 2 295.387 0.457 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH2+]Cc1nncs1 ZINC001390442637 910419282 /nfs/dbraw/zinc/41/92/82/910419282.db2.gz XDJNBEGDAUFJTH-VIFPVBQESA-N 2 2 294.384 0.338 20 0 CCADLP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@H](C)c1csnn1 ZINC001390464169 910440139 /nfs/dbraw/zinc/44/01/39/910440139.db2.gz CONMZGVZCZWEQI-NXEZZACHSA-N 2 2 285.417 0.645 20 0 CCADLP COc1cc(C[NH2+][C@@H](C)CNC(=O)Cn2cc[nH+]c2)on1 ZINC001390538314 910504309 /nfs/dbraw/zinc/50/43/09/910504309.db2.gz ATMWVTJVOXOMQS-JTQLQIEISA-N 2 2 293.327 0.174 20 0 CCADLP C[C@H](C(=O)N(C)CC[N@H+](C)C1CC1)n1cc[nH+]c1 ZINC001320368469 910634350 /nfs/dbraw/zinc/63/43/50/910634350.db2.gz WGKKKCBSFBUPGG-LLVKDONJSA-N 2 2 250.346 0.997 20 0 CCADLP C[C@H](C(=O)N(C)CC[N@@H+](C)C1CC1)n1cc[nH+]c1 ZINC001320368469 910634358 /nfs/dbraw/zinc/63/43/58/910634358.db2.gz WGKKKCBSFBUPGG-LLVKDONJSA-N 2 2 250.346 0.997 20 0 CCADLP C[N@H+](CCNC(=O)Cn1cc[nH+]c1)C[C@@H]1CCCOC1 ZINC001390876872 910754787 /nfs/dbraw/zinc/75/47/87/910754787.db2.gz YBZHJEJPEBZLJB-ZDUSSCGKSA-N 2 2 280.372 0.358 20 0 CCADLP C[N@@H+](CCNC(=O)Cn1cc[nH+]c1)C[C@@H]1CCCOC1 ZINC001390876872 910754802 /nfs/dbraw/zinc/75/48/02/910754802.db2.gz YBZHJEJPEBZLJB-ZDUSSCGKSA-N 2 2 280.372 0.358 20 0 CCADLP COC[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001391077436 910848302 /nfs/dbraw/zinc/84/83/02/910848302.db2.gz DKLZDKXVKNZRKA-OLZOCXBDSA-N 2 2 280.372 0.499 20 0 CCADLP COC[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001391077436 910848322 /nfs/dbraw/zinc/84/83/22/910848322.db2.gz DKLZDKXVKNZRKA-OLZOCXBDSA-N 2 2 280.372 0.499 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001391101488 910876133 /nfs/dbraw/zinc/87/61/33/910876133.db2.gz MCKLJKIATDRYRH-ZDUSSCGKSA-N 2 2 299.378 0.986 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001391101488 910876144 /nfs/dbraw/zinc/87/61/44/910876144.db2.gz MCKLJKIATDRYRH-ZDUSSCGKSA-N 2 2 299.378 0.986 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](CCF)C2CC2)C1 ZINC001391195572 910954245 /nfs/dbraw/zinc/95/42/45/910954245.db2.gz FTEUWDQJIMCKKQ-CYBMUJFWSA-N 2 2 287.379 0.257 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+](CCF)C2CC2)C1 ZINC001391195572 910954259 /nfs/dbraw/zinc/95/42/59/910954259.db2.gz FTEUWDQJIMCKKQ-CYBMUJFWSA-N 2 2 287.379 0.257 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+](CCF)C2CC2)C1 ZINC001391195572 910954273 /nfs/dbraw/zinc/95/42/73/910954273.db2.gz FTEUWDQJIMCKKQ-CYBMUJFWSA-N 2 2 287.379 0.257 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+](CCF)C2CC2)C1 ZINC001391195572 910954284 /nfs/dbraw/zinc/95/42/84/910954284.db2.gz FTEUWDQJIMCKKQ-CYBMUJFWSA-N 2 2 287.379 0.257 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N[C@H]1CCC[N@@H+](CCO)C1 ZINC001391406536 911105032 /nfs/dbraw/zinc/10/50/32/911105032.db2.gz YANQSZDJDQCFCB-ZDUSSCGKSA-N 2 2 280.372 0.236 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N[C@H]1CCC[N@H+](CCO)C1 ZINC001391406536 911105041 /nfs/dbraw/zinc/10/50/41/911105041.db2.gz YANQSZDJDQCFCB-ZDUSSCGKSA-N 2 2 280.372 0.236 20 0 CCADLP C[NH+](C)CCC(=O)NC1C[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001391442286 911133651 /nfs/dbraw/zinc/13/36/51/911133651.db2.gz ZCMYTBZDZXVXPZ-ZDUSSCGKSA-N 2 2 283.416 0.554 20 0 CCADLP C[NH+](C)C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001321462280 911312111 /nfs/dbraw/zinc/31/21/11/911312111.db2.gz QOZYHJPIEZCQNL-NSHDSACASA-N 2 2 250.346 0.752 20 0 CCADLP CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001321653001 911424110 /nfs/dbraw/zinc/42/41/10/911424110.db2.gz UKDHGMKPJXKLKY-GMTAPVOTSA-N 2 2 250.346 0.638 20 0 CCADLP CCC[N@@H+]1CCO[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001391984157 911506324 /nfs/dbraw/zinc/50/63/24/911506324.db2.gz BTJYNNUJTZHETD-ZDUSSCGKSA-N 2 2 280.372 0.419 20 0 CCADLP CCC[N@H+]1CCO[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001391984157 911506338 /nfs/dbraw/zinc/50/63/38/911506338.db2.gz BTJYNNUJTZHETD-ZDUSSCGKSA-N 2 2 280.372 0.419 20 0 CCADLP Cc1cc(C[N@@H+](C)CCN(C)C(=O)CC[NH+](C)C)on1 ZINC001392305225 911715362 /nfs/dbraw/zinc/71/53/62/911715362.db2.gz ULUHIBZMLJRMIL-UHFFFAOYSA-N 2 2 282.388 0.825 20 0 CCADLP Cc1cc(C[N@H+](C)CCN(C)C(=O)CC[NH+](C)C)on1 ZINC001392305225 911715378 /nfs/dbraw/zinc/71/53/78/911715378.db2.gz ULUHIBZMLJRMIL-UHFFFAOYSA-N 2 2 282.388 0.825 20 0 CCADLP CC(C)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001392378465 911767714 /nfs/dbraw/zinc/76/77/14/911767714.db2.gz GBOWOMAUABJTAS-TZMCWYRMSA-N 2 2 294.399 0.168 20 0 CCADLP C[C@H](O)C[NH2+]CCCN(C)C(=O)CCn1cc[nH+]c1 ZINC001322636588 911890769 /nfs/dbraw/zinc/89/07/69/911890769.db2.gz LMQZRUZCKACXBI-LBPRGKRZSA-N 2 2 268.361 0.092 20 0 CCADLP Cc1nccnc1C[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001392539222 911905028 /nfs/dbraw/zinc/90/50/28/911905028.db2.gz UCJIULZYJHNECY-LLVKDONJSA-N 2 2 288.355 0.276 20 0 CCADLP CC[NH+]1CCN(CCNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001417921831 921703084 /nfs/dbraw/zinc/70/30/84/921703084.db2.gz SYTKCEDUHOKOEP-UHFFFAOYSA-N 2 2 293.415 0.106 20 0 CCADLP C[C@@H](C(=O)NCC[NH+]1CCSCC1)n1cc[nH+]c1 ZINC001322766441 911946314 /nfs/dbraw/zinc/94/63/14/911946314.db2.gz MIWXAUWCWNSXKD-NSHDSACASA-N 2 2 268.386 0.609 20 0 CCADLP C[C@@H](CC(=O)N[C@H](C[NH2+]CCO)C1CC1)n1cc[nH+]c1 ZINC001323080472 912105933 /nfs/dbraw/zinc/10/59/33/912105933.db2.gz ICKQBJFSODOWGK-WCQYABFASA-N 2 2 280.372 0.311 20 0 CCADLP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccn(C)n2)C1 ZINC001417945407 921724565 /nfs/dbraw/zinc/72/45/65/921724565.db2.gz XOQSGDLGGXLOTJ-CYBMUJFWSA-N 2 2 293.415 0.452 20 0 CCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccn(C)n2)C1 ZINC001417945407 921724573 /nfs/dbraw/zinc/72/45/73/921724573.db2.gz XOQSGDLGGXLOTJ-CYBMUJFWSA-N 2 2 293.415 0.452 20 0 CCADLP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC001417945407 921724578 /nfs/dbraw/zinc/72/45/78/921724578.db2.gz XOQSGDLGGXLOTJ-CYBMUJFWSA-N 2 2 293.415 0.452 20 0 CCADLP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001417945407 921724585 /nfs/dbraw/zinc/72/45/85/921724585.db2.gz XOQSGDLGGXLOTJ-CYBMUJFWSA-N 2 2 293.415 0.452 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001398932544 914960785 /nfs/dbraw/zinc/96/07/85/914960785.db2.gz LYTWXLYANOLXTE-MFKMUULPSA-N 2 2 279.388 0.904 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001398932544 914960801 /nfs/dbraw/zinc/96/08/01/914960801.db2.gz LYTWXLYANOLXTE-MFKMUULPSA-N 2 2 279.388 0.904 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]Cc1csnn1)[NH+](C)C ZINC001399029134 915004317 /nfs/dbraw/zinc/00/43/17/915004317.db2.gz ISNQGOMQTBHGIG-CMPLNLGQSA-N 2 2 299.444 0.719 20 0 CCADLP CCOCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001328276722 915074489 /nfs/dbraw/zinc/07/44/89/915074489.db2.gz BRLUHNHNZQJOIE-CHWSQXEVSA-N 2 2 294.399 0.958 20 0 CCADLP CCOCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001328276722 915074512 /nfs/dbraw/zinc/07/45/12/915074512.db2.gz BRLUHNHNZQJOIE-CHWSQXEVSA-N 2 2 294.399 0.958 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001399229480 915081678 /nfs/dbraw/zinc/08/16/78/915081678.db2.gz FDWJRWIWFKIUEK-JQWIXIFHSA-N 2 2 280.372 0.486 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001399252238 915092859 /nfs/dbraw/zinc/09/28/59/915092859.db2.gz SMYYZAOVHDGTAP-OLZOCXBDSA-N 2 2 294.399 0.436 20 0 CCADLP CC(C)[C@@H](CNc1cc[nH+]c(N)n1)[NH+]1CCOCC1 ZINC001339522868 921746444 /nfs/dbraw/zinc/74/64/44/921746444.db2.gz ORXCNALZSWBDSR-LLVKDONJSA-N 2 2 265.361 0.828 20 0 CCADLP CC[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C[C@@H]1CCCOC1 ZINC001399774206 915376922 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C[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001402063410 916785745 /nfs/dbraw/zinc/78/57/45/916785745.db2.gz VLMXXMYWWGFMSV-WCQYABFASA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001402063410 916785757 /nfs/dbraw/zinc/78/57/57/916785757.db2.gz VLMXXMYWWGFMSV-WCQYABFASA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cncs1 ZINC001330704048 916803026 /nfs/dbraw/zinc/80/30/26/916803026.db2.gz LYSXLBMNNVVSBX-ZETCQYMHSA-N 2 2 265.342 0.948 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@]1(C)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001402191972 916861083 /nfs/dbraw/zinc/86/10/83/916861083.db2.gz XODJRKYEIBVONK-OCCSQVGLSA-N 2 2 280.372 0.092 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@]1(O)CC[N@H+](CCC2CC2)C1 ZINC001402279956 916928095 /nfs/dbraw/zinc/92/80/95/916928095.db2.gz AFWCGFDDSVXNKL-HNNXBMFYSA-N 2 2 292.383 0.305 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@]1(O)CC[N@@H+](CCC2CC2)C1 ZINC001402279956 916928104 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/nfs/dbraw/zinc/58/94/78/917589478.db2.gz RBUWFEUQTQESRD-LBPRGKRZSA-N 2 2 295.387 0.410 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001403240387 917610351 /nfs/dbraw/zinc/61/03/51/917610351.db2.gz VBUJEVNAAOBKHI-UONOGXRCSA-N 2 2 297.443 0.680 20 0 CCADLP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]CC[C@H]1CCOC1 ZINC001403475515 917730712 /nfs/dbraw/zinc/73/07/12/917730712.db2.gz ANCYSKHNDRMYOZ-KBPBESRZSA-N 2 2 294.399 0.794 20 0 CCADLP CO[C@H](C)C[NH2+][C@H](C)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001403574227 917824441 /nfs/dbraw/zinc/82/44/41/917824441.db2.gz BRLXBQYWEWLNQD-CHWSQXEVSA-N 2 2 282.388 0.745 20 0 CCADLP Cc1ncc(C[N@@H+](C)CCNC(=O)C2(C[NH+](C)C)CC2)o1 ZINC001403658741 917900382 /nfs/dbraw/zinc/90/03/82/917900382.db2.gz IAZSKKIQIJVFNF-UHFFFAOYSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1ncc(C[N@H+](C)CCNC(=O)C2(C[NH+](C)C)CC2)o1 ZINC001403658741 917900396 /nfs/dbraw/zinc/90/03/96/917900396.db2.gz IAZSKKIQIJVFNF-UHFFFAOYSA-N 2 2 294.399 0.873 20 0 CCADLP CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001403786448 918008769 /nfs/dbraw/zinc/00/87/69/918008769.db2.gz ISKOQDGHFWIHQB-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001403786448 918008783 /nfs/dbraw/zinc/00/87/83/918008783.db2.gz ISKOQDGHFWIHQB-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001403786448 918008800 /nfs/dbraw/zinc/00/88/00/918008800.db2.gz ISKOQDGHFWIHQB-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001403786448 918008816 /nfs/dbraw/zinc/00/88/16/918008816.db2.gz ISKOQDGHFWIHQB-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP O=C1N[C@@H]2C[N@H+](CCC[NH2+]C3CC3)CC[C@H]2CO1 ZINC001332335283 918063308 /nfs/dbraw/zinc/06/33/08/918063308.db2.gz SLGDOWLPKDSWPF-CMPLNLGQSA-N 2 2 253.346 0.559 20 0 CCADLP O=C1N[C@@H]2C[N@@H+](CCC[NH2+]C3CC3)CC[C@H]2CO1 ZINC001332335283 918063326 /nfs/dbraw/zinc/06/33/26/918063326.db2.gz SLGDOWLPKDSWPF-CMPLNLGQSA-N 2 2 253.346 0.559 20 0 CCADLP CC(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001403864903 918075049 /nfs/dbraw/zinc/07/50/49/918075049.db2.gz FWCCOZDBMNTZFN-OCCSQVGLSA-N 2 2 296.415 0.653 20 0 CCADLP CC(C)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001403864903 918075059 /nfs/dbraw/zinc/07/50/59/918075059.db2.gz FWCCOZDBMNTZFN-OCCSQVGLSA-N 2 2 296.415 0.653 20 0 CCADLP CC(C)CC[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001403926090 918125748 /nfs/dbraw/zinc/12/57/48/918125748.db2.gz SDOMWPPSVPESMT-AWEZNQCLSA-N 2 2 296.415 0.749 20 0 CCADLP CC(C)CC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001403926090 918125757 /nfs/dbraw/zinc/12/57/57/918125757.db2.gz SDOMWPPSVPESMT-AWEZNQCLSA-N 2 2 296.415 0.749 20 0 CCADLP C[C@H](O)C[N@H+](CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC001404261065 918262475 /nfs/dbraw/zinc/26/24/75/918262475.db2.gz CJOKEXAIAKVIRX-RYUDHWBXSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@H](O)C[N@@H+](CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC1 ZINC001404261065 918262490 /nfs/dbraw/zinc/26/24/90/918262490.db2.gz CJOKEXAIAKVIRX-RYUDHWBXSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@H](O)C[N@H+](CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC001404261065 918262507 /nfs/dbraw/zinc/26/25/07/918262507.db2.gz CJOKEXAIAKVIRX-RYUDHWBXSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@H](O)C[N@@H+](CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC001404261065 918262519 /nfs/dbraw/zinc/26/25/19/918262519.db2.gz CJOKEXAIAKVIRX-RYUDHWBXSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@@H]1CCCS(=O)(=O)C1 ZINC001332745085 918417566 /nfs/dbraw/zinc/41/75/66/918417566.db2.gz RYQYWNSMVNQRIJ-GRYCIOLGSA-N 2 2 260.403 0.623 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H]1CCCS(=O)(=O)C1 ZINC001332745085 918417577 /nfs/dbraw/zinc/41/75/77/918417577.db2.gz RYQYWNSMVNQRIJ-GRYCIOLGSA-N 2 2 260.403 0.623 20 0 CCADLP Cc1cc(C[NH+]2CC(CNC(=O)CC[NH+](C)C)C2)on1 ZINC001404902567 918510776 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CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+]Cc1nc(C)no1 ZINC001405886449 918959865 /nfs/dbraw/zinc/95/98/65/918959865.db2.gz PNBDTWOQIBWQTH-NSHDSACASA-N 2 2 297.403 0.656 20 0 CCADLP C[C@H]([NH2+]CCO)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001406000919 918989864 /nfs/dbraw/zinc/98/98/64/918989864.db2.gz QMSKCLHIMKSRNJ-QWHCGFSZSA-N 2 2 280.372 0.092 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]([NH2+]C[C@H](C)O)C(C)C ZINC001406075585 919032694 /nfs/dbraw/zinc/03/26/94/919032694.db2.gz ZKTFMBPMLZXNRX-GWCFXTLKSA-N 2 2 282.388 0.372 20 0 CCADLP CC[N@@H+](C/C=C/Cl)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001492947900 919041217 /nfs/dbraw/zinc/04/12/17/919041217.db2.gz HAAVAVUKGHUOHE-ITKZLYELSA-N 2 2 289.807 0.508 20 0 CCADLP CC[N@H+](C/C=C/Cl)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001492947900 919041232 /nfs/dbraw/zinc/04/12/32/919041232.db2.gz HAAVAVUKGHUOHE-ITKZLYELSA-N 2 2 289.807 0.508 20 0 CCADLP CC[NH+](C/C=C/Cl)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001492947900 919041240 /nfs/dbraw/zinc/04/12/40/919041240.db2.gz HAAVAVUKGHUOHE-ITKZLYELSA-N 2 2 289.807 0.508 20 0 CCADLP CC[NH+](C/C=C/Cl)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001492947900 919041256 /nfs/dbraw/zinc/04/12/56/919041256.db2.gz HAAVAVUKGHUOHE-ITKZLYELSA-N 2 2 289.807 0.508 20 0 CCADLP C[C@H](C[NH2+]C[C@@H]1CCOC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001406360922 919216604 /nfs/dbraw/zinc/21/66/04/919216604.db2.gz FVUPUOVELDJQSP-NEPJUHHUSA-N 2 2 280.372 0.473 20 0 CCADLP C[C@H](C[NH2+]C[C@@H]1CCOC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001406360922 919216617 /nfs/dbraw/zinc/21/66/17/919216617.db2.gz FVUPUOVELDJQSP-NEPJUHHUSA-N 2 2 280.372 0.473 20 0 CCADLP Cc1nonc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001406387198 919230405 /nfs/dbraw/zinc/23/04/05/919230405.db2.gz YEJBRDJMDIFKDJ-MFKMUULPSA-N 2 2 295.387 0.457 20 0 CCADLP Cc1nonc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001406387198 919230414 /nfs/dbraw/zinc/23/04/14/919230414.db2.gz YEJBRDJMDIFKDJ-MFKMUULPSA-N 2 2 295.387 0.457 20 0 CCADLP C[C@@H](F)CC[N@@H+]1CC[C@H]1CNC(=O)Cc1c[nH+]cn1C 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CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1CC[NH2+]CC1 ZINC001335308299 920109370 /nfs/dbraw/zinc/10/93/70/920109370.db2.gz LPCHGKZFHXEGSR-SNVBAGLBSA-N 2 2 250.346 0.799 20 0 CCADLP C[C@H]1CC[N@H+](CC[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001335395899 920169197 /nfs/dbraw/zinc/16/91/97/920169197.db2.gz CHUAFGZAZMAAMW-STQMWFEESA-N 2 2 252.362 0.175 20 0 CCADLP C[C@H]1CC[N@@H+](CC[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001335395899 920169206 /nfs/dbraw/zinc/16/92/06/920169206.db2.gz CHUAFGZAZMAAMW-STQMWFEESA-N 2 2 252.362 0.175 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)NCC2(C)CC[NH+](C)CC2)c1 ZINC001414664604 920453993 /nfs/dbraw/zinc/45/39/93/920453993.db2.gz NBFWZKHALLSEDX-UHFFFAOYSA-N 2 2 293.415 0.994 20 0 CCADLP CC(C)C[N@H+](C)CCC[NH2+]CCS(C)(=O)=O ZINC001336003897 920558281 /nfs/dbraw/zinc/55/82/81/920558281.db2.gz QWLGSNSJMCXHHB-UHFFFAOYSA-N 2 2 250.408 0.599 20 0 CCADLP CC(C)C[N@@H+](C)CCC[NH2+]CCS(C)(=O)=O ZINC001336003897 920558293 /nfs/dbraw/zinc/55/82/93/920558293.db2.gz QWLGSNSJMCXHHB-UHFFFAOYSA-N 2 2 250.408 0.599 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)NCc2ccoc2)CC1 ZINC001336780158 921003301 /nfs/dbraw/zinc/00/33/01/921003301.db2.gz YAJWVSAEFMKPAW-UHFFFAOYSA-N 2 2 266.345 0.502 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+](CCO)C1 ZINC001418141917 921856423 /nfs/dbraw/zinc/85/64/23/921856423.db2.gz ZUWQLANLBIRSBZ-AWEZNQCLSA-N 2 2 294.399 0.484 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NC[C@@H]1CCC[N@H+](CCO)C1 ZINC001418141917 921856436 /nfs/dbraw/zinc/85/64/36/921856436.db2.gz ZUWQLANLBIRSBZ-AWEZNQCLSA-N 2 2 294.399 0.484 20 0 CCADLP Cc1noc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001418209949 921917624 /nfs/dbraw/zinc/91/76/24/921917624.db2.gz FPVRKBYRPPUNTL-MWLCHTKSSA-N 2 2 281.360 0.067 20 0 CCADLP Cc1noc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001418209949 921917634 /nfs/dbraw/zinc/91/76/34/921917634.db2.gz FPVRKBYRPPUNTL-MWLCHTKSSA-N 2 2 281.360 0.067 20 0 CCADLP Cc1ccnc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001418213992 921924657 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CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C1(C[NH3+])CCC1 ZINC001340310860 922049653 /nfs/dbraw/zinc/04/96/53/922049653.db2.gz CJYSFGIRVJSXQN-LLVKDONJSA-N 2 2 262.357 0.785 20 0 CCADLP C[C@H](CCNC(=O)c1cccc2[nH+]ccn21)[NH2+]C[C@H](C)O ZINC001418410297 922089386 /nfs/dbraw/zinc/08/93/86/922089386.db2.gz UIEHCWOWZGSTIB-NEPJUHHUSA-N 2 2 290.367 0.813 20 0 CCADLP CC[C@@H](C(=O)N(C)CC[NH3+])[N@@H+]1CCO[C@H](CC)C1 ZINC001340473070 922096612 /nfs/dbraw/zinc/09/66/12/922096612.db2.gz WGCSKSKUZMTURB-NEPJUHHUSA-N 2 2 257.378 0.293 20 0 CCADLP CC[C@@H](C(=O)N(C)CC[NH3+])[N@H+]1CCO[C@H](CC)C1 ZINC001340473070 922096621 /nfs/dbraw/zinc/09/66/21/922096621.db2.gz WGCSKSKUZMTURB-NEPJUHHUSA-N 2 2 257.378 0.293 20 0 CCADLP Cc1nocc1C[N@@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001418489076 922172580 /nfs/dbraw/zinc/17/25/80/922172580.db2.gz HYTDFJGZNSGFLX-UHFFFAOYSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1nocc1C[N@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001418489076 922172585 /nfs/dbraw/zinc/17/25/85/922172585.db2.gz HYTDFJGZNSGFLX-UHFFFAOYSA-N 2 2 294.399 0.873 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCOCCC[NH3+] ZINC001340719388 922185256 /nfs/dbraw/zinc/18/52/56/922185256.db2.gz RDPDUUWSWFVXKO-JTQLQIEISA-N 2 2 254.334 0.070 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCOCCC[NH3+] ZINC001340719388 922185265 /nfs/dbraw/zinc/18/52/65/922185265.db2.gz RDPDUUWSWFVXKO-JTQLQIEISA-N 2 2 254.334 0.070 20 0 CCADLP C[C@H]1CC[C@@H](C[N@H+](C)CCNC(=O)Cc2[nH]cc[nH+]2)O1 ZINC001418507809 922197039 /nfs/dbraw/zinc/19/70/39/922197039.db2.gz XWYJMFWTEZBOPU-RYUDHWBXSA-N 2 2 280.372 0.568 20 0 CCADLP C[C@H]1CC[C@@H](C[N@@H+](C)CCNC(=O)Cc2[nH]cc[nH+]2)O1 ZINC001418507809 922197042 /nfs/dbraw/zinc/19/70/42/922197042.db2.gz XWYJMFWTEZBOPU-RYUDHWBXSA-N 2 2 280.372 0.568 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC001340921186 922275812 /nfs/dbraw/zinc/27/58/12/922275812.db2.gz FSVKRVLOMOICQU-GYSYKLTISA-N 2 2 262.357 0.721 20 0 CCADLP C[C@H]1[NH2+]CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H]1C ZINC001340922922 922277015 /nfs/dbraw/zinc/27/70/15/922277015.db2.gz NWFDRHFOLZHCIH-DDHJBXDOSA-N 2 2 262.357 0.732 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC1(C[NH3+])CC1 ZINC001341305561 922415776 /nfs/dbraw/zinc/41/57/76/922415776.db2.gz GYNMOFPHBBIZSF-SNVBAGLBSA-N 2 2 250.346 0.834 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC1(C[NH3+])CC1 ZINC001341305561 922415780 /nfs/dbraw/zinc/41/57/80/922415780.db2.gz GYNMOFPHBBIZSF-SNVBAGLBSA-N 2 2 250.346 0.834 20 0 CCADLP [NH3+][C@H](CC(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21)C(F)F ZINC001341541869 922542324 /nfs/dbraw/zinc/54/23/24/922542324.db2.gz YLDNFJHTLFRZOH-OPRDCNLKSA-N 2 2 261.316 0.569 20 0 CCADLP Cc1ncc(C[NH+]2CC(CNC(=O)C[NH+]3CCCC3)C2)o1 ZINC001419039342 922590929 /nfs/dbraw/zinc/59/09/29/922590929.db2.gz WHVSGQPDTBDAMI-UHFFFAOYSA-N 2 2 292.383 0.627 20 0 CCADLP CC[C@@H](C(=O)NCCCC[NH3+])[N@@H+]1CCO[C@@H](CC)C1 ZINC001341641605 922598475 /nfs/dbraw/zinc/59/84/75/922598475.db2.gz AMOQSAABYGZMNE-STQMWFEESA-N 2 2 271.405 0.731 20 0 CCADLP CC[C@@H](C(=O)NCCCC[NH3+])[N@H+]1CCO[C@@H](CC)C1 ZINC001341641605 922598486 /nfs/dbraw/zinc/59/84/86/922598486.db2.gz AMOQSAABYGZMNE-STQMWFEESA-N 2 2 271.405 0.731 20 0 CCADLP C[C@]1(C(=O)NCC[NH+]2CCC([NH3+])CC2)C=CCC1 ZINC001341691370 922630737 /nfs/dbraw/zinc/63/07/37/922630737.db2.gz YFFRSSXDSMQFNW-AWEZNQCLSA-N 2 2 251.374 0.882 20 0 CCADLP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1nc(C)no1 ZINC001419222301 922715451 /nfs/dbraw/zinc/71/54/51/922715451.db2.gz ONGUORLIIKGRDQ-NSHDSACASA-N 2 2 283.376 0.314 20 0 CCADLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1cnn(C)c1 ZINC001419245791 922730514 /nfs/dbraw/zinc/73/05/14/922730514.db2.gz JZWPEGNDMFABIN-GFCCVEGCSA-N 2 2 290.371 0.370 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCC[NH2+]CC1)n1cc[nH+]c1 ZINC001342081730 922796180 /nfs/dbraw/zinc/79/61/80/922796180.db2.gz IVTAQWXFDFCWDP-VXGBXAGGSA-N 2 2 250.346 0.950 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001419472445 922862171 /nfs/dbraw/zinc/86/21/71/922862171.db2.gz VYMNFACKHCMKCG-FPMFFAJLSA-N 2 2 292.383 0.616 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001419472445 922862183 /nfs/dbraw/zinc/86/21/83/922862183.db2.gz VYMNFACKHCMKCG-FPMFFAJLSA-N 2 2 292.383 0.616 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001419517329 922892108 /nfs/dbraw/zinc/89/21/08/922892108.db2.gz SAAOBDGTZZXYRC-UPJWGTAASA-N 2 2 294.399 0.624 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)COC(F)(F)F)CC1 ZINC001342462695 922973665 /nfs/dbraw/zinc/97/36/65/922973665.db2.gz SPDSCSAOSQBMJC-UHFFFAOYSA-N 2 2 269.267 0.062 20 0 CCADLP CCc1cc(C(=O)NCC[NH+]2CCC([NH3+])CC2)[nH]n1 ZINC001342475718 922976483 /nfs/dbraw/zinc/97/64/83/922976483.db2.gz JBGBOPVHLADZPC-UHFFFAOYSA-N 2 2 265.361 0.125 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001419684201 922991119 /nfs/dbraw/zinc/99/11/19/922991119.db2.gz BXAMMGYIWYBDTP-VXGBXAGGSA-N 2 2 290.367 0.765 20 0 CCADLP [NH3+][C@H](C(=O)NCC1([NH3+])CC1)c1c(F)cccc1F ZINC001342816144 923100055 /nfs/dbraw/zinc/10/00/55/923100055.db2.gz WRFPWIHBBMFRSI-JTQLQIEISA-N 2 2 255.268 0.572 20 0 CCADLP [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001343011819 923166355 /nfs/dbraw/zinc/16/63/55/923166355.db2.gz MCBNGFNQZVGJHY-BIAAXOCRSA-N 2 2 260.341 0.853 20 0 CCADLP [NH3+]C[C@@]12CC[C@@H]1CCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001343011819 923166364 /nfs/dbraw/zinc/16/63/64/923166364.db2.gz MCBNGFNQZVGJHY-BIAAXOCRSA-N 2 2 260.341 0.853 20 0 CCADLP CC[C@H](C[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)OC ZINC001420016209 923239241 /nfs/dbraw/zinc/23/92/41/923239241.db2.gz XIARAASHVCWFIG-UONOGXRCSA-N 2 2 294.399 0.746 20 0 CCADLP C[N@@H+]1C[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC001420017836 923242656 /nfs/dbraw/zinc/24/26/56/923242656.db2.gz UDWFTFHUCSYMTH-RYUDHWBXSA-N 2 2 276.384 0.902 20 0 CCADLP C[N@H+]1C[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC001420017836 923242673 /nfs/dbraw/zinc/24/26/73/923242673.db2.gz UDWFTFHUCSYMTH-RYUDHWBXSA-N 2 2 276.384 0.902 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001343687618 923419513 /nfs/dbraw/zinc/41/95/13/923419513.db2.gz YQAKQIRXYBPYEA-LOWVWBTDSA-N 2 2 262.357 0.702 20 0 CCADLP C[NH2+]C1(C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)CCC1 ZINC001343735760 923453174 /nfs/dbraw/zinc/45/31/74/923453174.db2.gz BHWMHJDHQWQCJX-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP Cc1cncc(C[NH2+]C[C@@H](C)NC(=O)Cn2cc[nH+]c2)c1 ZINC001420388837 923613799 /nfs/dbraw/zinc/61/37/99/923613799.db2.gz SYWXLQIIGFHMIP-CYBMUJFWSA-N 2 2 287.367 0.881 20 0 CCADLP CCn1ccc(C[NH2+]C[C@H](C)NC(=O)Cn2cc[nH+]c2)n1 ZINC001420523825 923743360 /nfs/dbraw/zinc/74/33/60/923743360.db2.gz RHKHXYUIPXFUIE-LBPRGKRZSA-N 2 2 290.371 0.394 20 0 CCADLP CCn1cc(CC[NH+]2CC(NC(=O)CC[NH+](C)C)C2)cn1 ZINC001421061359 924126308 /nfs/dbraw/zinc/12/63/08/924126308.db2.gz FCWVCPULPYOAGL-UHFFFAOYSA-N 2 2 293.415 0.198 20 0 CCADLP CN(C(=O)CC[NH+]1CCOCC1)C1C[NH+](CCC2CC2)C1 ZINC001421079920 924138685 /nfs/dbraw/zinc/13/86/85/924138685.db2.gz CZWIZSDZHMQIHO-UHFFFAOYSA-N 2 2 295.427 0.651 20 0 CCADLP CC[N@H+](C)CCC(=O)NC1C[NH+](C[C@@H]2CC[C@@H](C)O2)C1 ZINC001421084389 924143692 /nfs/dbraw/zinc/14/36/92/924143692.db2.gz OTGXEDGKGLKOFA-OCCSQVGLSA-N 2 2 283.416 0.696 20 0 CCADLP CC[N@@H+](C)CCC(=O)NC1C[NH+](C[C@@H]2CC[C@@H](C)O2)C1 ZINC001421084389 924143703 /nfs/dbraw/zinc/14/37/03/924143703.db2.gz OTGXEDGKGLKOFA-OCCSQVGLSA-N 2 2 283.416 0.696 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001421097533 924148424 /nfs/dbraw/zinc/14/84/24/924148424.db2.gz IOFBRAFKCDOYTH-ZFWWWQNUSA-N 2 2 297.443 0.942 20 0 CCADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001346492587 924238328 /nfs/dbraw/zinc/23/83/28/924238328.db2.gz UIWAAHNFDLHVMG-PHIMTYICSA-N 2 2 250.346 0.799 20 0 CCADLP C[C@@H](CCNC(=O)CCc1[nH+]ccn1C)[NH+](C)C ZINC001347819624 924544480 /nfs/dbraw/zinc/54/44/80/924544480.db2.gz CJRMTVQGFWHBJA-NSHDSACASA-N 2 2 252.362 0.809 20 0 CCADLP CN(C)[C@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001348958873 924853113 /nfs/dbraw/zinc/85/31/13/924853113.db2.gz ZCCULLQIFHXENW-PMPSAXMXSA-N 2 2 298.475 0.057 20 0 CCADLP O=C1CC[C@@H]([NH2+]CCCCn2cc[nH+]c2)CCN1 ZINC001349585981 924995194 /nfs/dbraw/zinc/99/51/94/924995194.db2.gz AGXWARMEKCWOAH-GFCCVEGCSA-N 2 2 250.346 0.922 20 0 CCADLP C[NH+](CCO)CC(C[N@H+](C)CCO)c1ccccc1 ZINC001349648287 925013892 /nfs/dbraw/zinc/01/38/92/925013892.db2.gz JCSNJVAJYURNOJ-UHFFFAOYSA-N 2 2 266.385 0.618 20 0 CCADLP C[NH+](CCO)CC(C[N@@H+](C)CCO)c1ccccc1 ZINC001349648287 925013903 /nfs/dbraw/zinc/01/39/03/925013903.db2.gz JCSNJVAJYURNOJ-UHFFFAOYSA-N 2 2 266.385 0.618 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCC2(CCNC2=O)CC1 ZINC001349700008 925026773 /nfs/dbraw/zinc/02/67/73/925026773.db2.gz QCRTXGDPLGBGQV-UHFFFAOYSA-N 2 2 262.357 0.565 20 0 CCADLP C[C@@H]1COCCN1CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC001350953901 925320223 /nfs/dbraw/zinc/32/02/23/925320223.db2.gz ADVHUMNBROLWFZ-CHWSQXEVSA-N 2 2 253.390 0.581 20 0 CCADLP C[C@H]1COCCN1CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC001350954493 925321434 /nfs/dbraw/zinc/32/14/34/925321434.db2.gz CWJRZYGXHLAERK-KBPBESRZSA-N 2 2 267.417 0.971 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCN(c2cnn(C)c2)C1 ZINC001350958345 925322670 /nfs/dbraw/zinc/32/26/70/925322670.db2.gz SKOGJUJNPXGHED-SCRDCRAPSA-N 2 2 263.389 0.729 20 0 CCADLP O=C(NCC1CC[NH2+]CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001351283131 925398371 /nfs/dbraw/zinc/39/83/71/925398371.db2.gz HCQIXBVIWIYNGH-LBPRGKRZSA-N 2 2 262.357 0.561 20 0 CCADLP COC1CC[NH+](Cc2cn([C@H](C)C[NH3+])nn2)CC1 ZINC001351747753 925466095 /nfs/dbraw/zinc/46/60/95/925466095.db2.gz RTYXXVHCFNGMDQ-SNVBAGLBSA-N 2 2 253.350 0.409 20 0 CCADLP C[NH+]1CCN(C2CC[NH+](CN3C(=O)CC3(C)C)CC2)CC1 ZINC001352115421 925525256 /nfs/dbraw/zinc/52/52/56/925525256.db2.gz BMLBDVBQLCNVCD-UHFFFAOYSA-N 2 2 294.443 0.667 20 0 CCADLP [NH3+][C@H]1C[C@@H](C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC001352177807 925539905 /nfs/dbraw/zinc/53/99/05/925539905.db2.gz HJHCDUZTUVCAMS-GASCZTMLSA-N 3 2 296.459 0.110 20 0 CCADLP [NH3+][C@H]1C[C@@H](C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC001352177807 925539916 /nfs/dbraw/zinc/53/99/16/925539916.db2.gz HJHCDUZTUVCAMS-GASCZTMLSA-N 3 2 296.459 0.110 20 0 CCADLP CC(C)[C@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[NH2+]1 ZINC001352453224 925580057 /nfs/dbraw/zinc/58/00/57/925580057.db2.gz YJTFJWDYFHFKAU-GFCCVEGCSA-N 2 2 264.373 0.809 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC001352759013 925633130 /nfs/dbraw/zinc/63/31/30/925633130.db2.gz HVXFRUWDLCFBGX-LBPRGKRZSA-N 2 2 262.357 0.563 20 0 CCADLP [NH3+]CCN1CCC([N@@H+]2CCc3sc(C[NH3+])nc3C2)CC1 ZINC001352789291 925641977 /nfs/dbraw/zinc/64/19/77/925641977.db2.gz JOJMSTVPAZOMQH-UHFFFAOYSA-N 3 2 295.456 0.383 20 0 CCADLP [NH3+]CCN1CCC([N@H+]2CCc3sc(C[NH3+])nc3C2)CC1 ZINC001352789291 925641982 /nfs/dbraw/zinc/64/19/82/925641982.db2.gz JOJMSTVPAZOMQH-UHFFFAOYSA-N 3 2 295.456 0.383 20 0 CCADLP Cn1c[nH+]cc1Cn1cc([C@H]([NH3+])[C@H]2CCCO2)nn1 ZINC001352983249 925689347 /nfs/dbraw/zinc/68/93/47/925689347.db2.gz JHJLXAVIGZHYDG-NEPJUHHUSA-N 2 2 262.317 0.239 20 0 CCADLP Cc1cc(C)c(C(=O)NC[C@H](C)[NH2+]CCO)c(C)[nH+]1 ZINC001480507712 925848608 /nfs/dbraw/zinc/84/86/08/925848608.db2.gz UAUCNHCEMGWJGG-NSHDSACASA-N 2 2 265.357 0.707 20 0 CCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001353633378 925891241 /nfs/dbraw/zinc/89/12/41/925891241.db2.gz JZMKUVGHBIFSKJ-UTUOFQBUSA-N 2 2 260.341 0.123 20 0 CCADLP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H](C[NH3+])C1CC1 ZINC001353883084 925951969 /nfs/dbraw/zinc/95/19/69/925951969.db2.gz SNHOPGXVPVKSEV-WCQYABFASA-N 2 2 262.357 0.641 20 0 CCADLP COCC[N@H+]1[C@H](C)CN(c2cc(N)[nH+]cn2)C[C@@H]1C ZINC001354225846 926050349 /nfs/dbraw/zinc/05/03/49/926050349.db2.gz FFIPSDXEGJJQNM-PHIMTYICSA-N 2 2 265.361 0.604 20 0 CCADLP COCC[N@@H+]1[C@H](C)CN(c2cc(N)[nH+]cn2)C[C@@H]1C ZINC001354225846 926050360 /nfs/dbraw/zinc/05/03/60/926050360.db2.gz FFIPSDXEGJJQNM-PHIMTYICSA-N 2 2 265.361 0.604 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC001354853628 926175255 /nfs/dbraw/zinc/17/52/55/926175255.db2.gz FZIBQVPDCFCPSR-RWCKICOTSA-N 2 2 295.427 0.769 20 0 CCADLP CCn1cc(C[NH2+]CCCCN2CC[NH+](C)CC2)nn1 ZINC001355240453 926229802 /nfs/dbraw/zinc/22/98/02/926229802.db2.gz ZOIDFNBCXIFOAL-UHFFFAOYSA-N 2 2 280.420 0.415 20 0 CCADLP Cc1nc(N(C)CC[N@H+](C)CCO)c(C)c(C)[nH+]1 ZINC001355322562 926241594 /nfs/dbraw/zinc/24/15/94/926241594.db2.gz PVFPTYCGFWCJDM-UHFFFAOYSA-N 2 2 252.362 0.762 20 0 CCADLP Cc1nc(N(C)CC[N@@H+](C)CCO)c(C)c(C)[nH+]1 ZINC001355322562 926241606 /nfs/dbraw/zinc/24/16/06/926241606.db2.gz PVFPTYCGFWCJDM-UHFFFAOYSA-N 2 2 252.362 0.762 20 0 CCADLP [NH3+]C[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])c2c(F)cccc2F)C1 ZINC001355534896 926277662 /nfs/dbraw/zinc/27/76/62/926277662.db2.gz WEEORDHCPMFHGY-UBJUHAIHSA-N 2 2 269.295 0.818 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]C[C@@H](O)c1cccnc1)C1CC1 ZINC001356544921 926397762 /nfs/dbraw/zinc/39/77/62/926397762.db2.gz LEUXNUWYUUQRRU-ZIAGYGMSSA-N 2 2 265.357 0.160 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H](O)c1cccnc1)C1CC1 ZINC001356544921 926397767 /nfs/dbraw/zinc/39/77/67/926397767.db2.gz LEUXNUWYUUQRRU-ZIAGYGMSSA-N 2 2 265.357 0.160 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C[C@H]([NH3+])C(F)F ZINC001357518155 926554689 /nfs/dbraw/zinc/55/46/89/926554689.db2.gz SXSPRGDVBHCQBY-UTLUCORTSA-N 2 2 263.332 0.768 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C[C@H]([NH3+])C(F)F ZINC001357518155 926554693 /nfs/dbraw/zinc/55/46/93/926554693.db2.gz SXSPRGDVBHCQBY-UTLUCORTSA-N 2 2 263.332 0.768 20 0 CCADLP C[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CCF)CCC1(F)F ZINC001421335808 926683034 /nfs/dbraw/zinc/68/30/34/926683034.db2.gz MOALLDVRHBHRMW-LLVKDONJSA-N 2 2 295.349 0.981 20 0 CCADLP C[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CCF)CCC1(F)F ZINC001421335808 926683044 /nfs/dbraw/zinc/68/30/44/926683044.db2.gz MOALLDVRHBHRMW-LLVKDONJSA-N 2 2 295.349 0.981 20 0 CCADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ocnc1C ZINC001421499208 926779624 /nfs/dbraw/zinc/77/96/24/926779624.db2.gz AWWQVKYFLREIFM-GFCCVEGCSA-N 2 2 291.355 0.864 20 0 CCADLP COCC[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001422250350 927175602 /nfs/dbraw/zinc/17/56/02/927175602.db2.gz OVIDHEAIERJYLV-ZDUSSCGKSA-N 2 2 294.399 0.532 20 0 CCADLP COCC[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001422250350 927175611 /nfs/dbraw/zinc/17/56/11/927175611.db2.gz OVIDHEAIERJYLV-ZDUSSCGKSA-N 2 2 294.399 0.532 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001422657910 927439211 /nfs/dbraw/zinc/43/92/11/927439211.db2.gz FRPWHYZKBNSWTN-UWVGGRQHSA-N 2 2 276.340 0.652 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1ncc(C)o1 ZINC001422730294 927478772 /nfs/dbraw/zinc/47/87/72/927478772.db2.gz MWGOGFMKULRLHS-NSHDSACASA-N 2 2 282.388 0.919 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1ncc(C)o1 ZINC001422730294 927478782 /nfs/dbraw/zinc/47/87/82/927478782.db2.gz MWGOGFMKULRLHS-NSHDSACASA-N 2 2 282.388 0.919 20 0 CCADLP C[C@@H](O)CCC[NH+]1CC([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001422742279 927485874 /nfs/dbraw/zinc/48/58/74/927485874.db2.gz UXLDKWDWURCVCK-VXGBXAGGSA-N 2 2 294.399 0.550 20 0 CCADLP CO[C@H](C)C[NH+]1CC([C@@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001422760955 927492150 /nfs/dbraw/zinc/49/21/50/927492150.db2.gz KSWAPKBCRMQYNB-VXGBXAGGSA-N 2 2 280.372 0.355 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@@](C)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001423579240 927929707 /nfs/dbraw/zinc/92/97/07/927929707.db2.gz DWWKGCPAWHUMQW-XHDPSFHLSA-N 2 2 294.399 0.876 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@@](C)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001423579240 927929714 /nfs/dbraw/zinc/92/97/14/927929714.db2.gz DWWKGCPAWHUMQW-XHDPSFHLSA-N 2 2 294.399 0.876 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001425115282 928439544 /nfs/dbraw/zinc/43/95/44/928439544.db2.gz VEPMZYGDVVHGOL-KGLIPLIRSA-N 2 2 295.427 0.576 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001425115282 928439553 /nfs/dbraw/zinc/43/95/53/928439553.db2.gz VEPMZYGDVVHGOL-KGLIPLIRSA-N 2 2 295.427 0.576 20 0 CCADLP C[C@H](CC(=O)N[C@H](C)C1C[NH+](CCCO)C1)n1cc[nH+]c1 ZINC001425239470 928474311 /nfs/dbraw/zinc/47/43/11/928474311.db2.gz VGHUPRRKMFFHOH-CHWSQXEVSA-N 2 2 294.399 0.653 20 0 CCADLP CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ncccn1)[NH+](C)C ZINC001425685294 928625552 /nfs/dbraw/zinc/62/55/52/928625552.db2.gz UIPHORHZZVLFCM-STQMWFEESA-N 2 2 293.415 0.753 20 0 CCADLP CC(C)[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001426032302 928736846 /nfs/dbraw/zinc/73/68/46/928736846.db2.gz PBCPXCPRLMJUHO-LLVKDONJSA-N 2 2 282.388 0.505 20 0 CCADLP CN(C(=O)CCCn1cc[nH+]c1)C1CC([NH2+]CCO)C1 ZINC001426242731 928796355 /nfs/dbraw/zinc/79/63/55/928796355.db2.gz CFPIIVAQWPLQJL-UHFFFAOYSA-N 2 2 280.372 0.235 20 0 CCADLP CNC(=O)CN1CCC[N@H+](CCCc2c[nH+]cn2C)CC1 ZINC001363327457 929118799 /nfs/dbraw/zinc/11/87/99/929118799.db2.gz MBEFUWDKABEUKQ-UHFFFAOYSA-N 2 2 293.415 0.106 20 0 CCADLP CNC(=O)CN1CCC[N@@H+](CCCc2c[nH+]cn2C)CC1 ZINC001363327457 929118802 /nfs/dbraw/zinc/11/88/02/929118802.db2.gz MBEFUWDKABEUKQ-UHFFFAOYSA-N 2 2 293.415 0.106 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001363518560 929322123 /nfs/dbraw/zinc/32/21/23/929322123.db2.gz SPRZUMXAFYUOCN-GYSYKLTISA-N 2 2 278.356 0.038 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001363518560 929322132 /nfs/dbraw/zinc/32/21/32/929322132.db2.gz SPRZUMXAFYUOCN-GYSYKLTISA-N 2 2 278.356 0.038 20 0 CCADLP Cn1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cn1 ZINC001363879411 929629912 /nfs/dbraw/zinc/62/99/12/929629912.db2.gz LQDONYNFLOLTPS-CABCVRRESA-N 2 2 278.400 0.888 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC1C[NH+](CCOC2CCC2)C1 ZINC001443562852 929645825 /nfs/dbraw/zinc/64/58/25/929645825.db2.gz ORBYVTPQGXWVAN-UHFFFAOYSA-N 2 2 283.416 0.696 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC1C[NH+](CCOC2CCC2)C1 ZINC001443562852 929645833 /nfs/dbraw/zinc/64/58/33/929645833.db2.gz ORBYVTPQGXWVAN-UHFFFAOYSA-N 2 2 283.416 0.696 20 0 CCADLP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccns1 ZINC001371929379 929673971 /nfs/dbraw/zinc/67/39/71/929673971.db2.gz XUTJAVIPQJEXNS-LBPRGKRZSA-N 2 2 282.413 0.785 20 0 CCADLP C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccns1 ZINC001371929379 929673980 /nfs/dbraw/zinc/67/39/80/929673980.db2.gz XUTJAVIPQJEXNS-LBPRGKRZSA-N 2 2 282.413 0.785 20 0 CCADLP C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1ccns1 ZINC001371929379 929673989 /nfs/dbraw/zinc/67/39/89/929673989.db2.gz XUTJAVIPQJEXNS-LBPRGKRZSA-N 2 2 282.413 0.785 20 0 CCADLP C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)Cc1ccns1 ZINC001371929379 929673992 /nfs/dbraw/zinc/67/39/92/929673992.db2.gz XUTJAVIPQJEXNS-LBPRGKRZSA-N 2 2 282.413 0.785 20 0 CCADLP CC[C@@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)[NH2+]C[C@@H](C)O ZINC001443935543 929745709 /nfs/dbraw/zinc/74/57/09/929745709.db2.gz CVECXEQJVYRUCK-OLZOCXBDSA-N 2 2 296.415 0.792 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccon1 ZINC001444733281 929943234 /nfs/dbraw/zinc/94/32/34/929943234.db2.gz TYFIJOSJMJWZSZ-LLVKDONJSA-N 2 2 291.355 0.816 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N(C)CC[N@@H+](C)C[C@H](C)O)c[nH+]1 ZINC001444994464 929996116 /nfs/dbraw/zinc/99/61/16/929996116.db2.gz NTDPHNSHAFYDRZ-ZDUSSCGKSA-N 2 2 296.415 0.698 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N(C)CC[N@H+](C)C[C@H](C)O)c[nH+]1 ZINC001444994464 929996123 /nfs/dbraw/zinc/99/61/23/929996123.db2.gz NTDPHNSHAFYDRZ-ZDUSSCGKSA-N 2 2 296.415 0.698 20 0 CCADLP C[C@@H]([NH2+]C[C@H](C)O)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001373042062 930056317 /nfs/dbraw/zinc/05/63/17/930056317.db2.gz YYIOAWPSWLANKZ-QWHCGFSZSA-N 2 2 294.399 0.481 20 0 CCADLP C[C@@H](O)C[NH2+][C@H](C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001373042056 930057784 /nfs/dbraw/zinc/05/77/84/930057784.db2.gz YYIOAWPSWLANKZ-CHWSQXEVSA-N 2 2 294.399 0.481 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCC[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001373397563 930171528 /nfs/dbraw/zinc/17/15/28/930171528.db2.gz MUFCCXRRTVMACA-OLZOCXBDSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001373397563 930171533 /nfs/dbraw/zinc/17/15/33/930171533.db2.gz MUFCCXRRTVMACA-OLZOCXBDSA-N 2 2 294.399 0.314 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CCC[C@H](C)O)C1 ZINC001373433822 930191100 /nfs/dbraw/zinc/19/11/00/930191100.db2.gz XVPBPYWQKFZNIG-DZGCQCFKSA-N 2 2 297.443 0.822 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CCC[C@H](C)O)C1 ZINC001373433822 930191106 /nfs/dbraw/zinc/19/11/06/930191106.db2.gz XVPBPYWQKFZNIG-DZGCQCFKSA-N 2 2 297.443 0.822 20 0 CCADLP CC(C)OCC[NH+]1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001373449286 930197396 /nfs/dbraw/zinc/19/73/96/930197396.db2.gz BDLBQGGOWJPIAA-UHFFFAOYSA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@H](C(=O)NCC1C[NH+](Cc2cnoc2C)C1)[NH+](C)C ZINC001373513559 930228585 /nfs/dbraw/zinc/22/85/85/930228585.db2.gz CSXYHECRJIPESK-CQSZACIVSA-N 2 2 294.399 0.871 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1C[NH+](CC2CCOCC2)C1 ZINC001373559578 930245274 /nfs/dbraw/zinc/24/52/74/930245274.db2.gz QDEIQTGLAZLLJY-UHFFFAOYSA-N 2 2 292.383 0.358 20 0 CCADLP C[C@H](C[N@H+](C)Cc1ccn(C)n1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001445869005 930275073 /nfs/dbraw/zinc/27/50/73/930275073.db2.gz LZORRWDOEPYLFT-CHWSQXEVSA-N 2 2 293.415 0.308 20 0 CCADLP C[C@H](C[N@@H+](C)Cc1ccn(C)n1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001445869005 930275084 /nfs/dbraw/zinc/27/50/84/930275084.db2.gz LZORRWDOEPYLFT-CHWSQXEVSA-N 2 2 293.415 0.308 20 0 CCADLP C[C@H](C[NH+](C)Cc1ccn(C)n1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001445869005 930275093 /nfs/dbraw/zinc/27/50/93/930275093.db2.gz LZORRWDOEPYLFT-CHWSQXEVSA-N 2 2 293.415 0.308 20 0 CCADLP C[C@H](C[NH+](C)Cc1ccn(C)n1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001445869005 930275104 /nfs/dbraw/zinc/27/51/04/930275104.db2.gz LZORRWDOEPYLFT-CHWSQXEVSA-N 2 2 293.415 0.308 20 0 CCADLP CC[C@@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]C[C@@H](C)O ZINC001373778326 930340492 /nfs/dbraw/zinc/34/04/92/930340492.db2.gz MMSMLWAJKMHAJC-NEPJUHHUSA-N 2 2 282.388 0.218 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]C[C@@H]1CCOC1 ZINC001374070863 930415751 /nfs/dbraw/zinc/41/57/51/930415751.db2.gz AYMYUDXDLSIBOC-RYUDHWBXSA-N 2 2 280.372 0.331 20 0 CCADLP Cc1oncc1C[NH2+]C[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001374083017 930418726 /nfs/dbraw/zinc/41/87/26/930418726.db2.gz YLHHGYLPUBJWFD-SNVBAGLBSA-N 2 2 291.355 0.791 20 0 CCADLP Cc1cnc(C[NH2+]C[C@H](C)CNC(=O)Cn2cc[nH+]c2)o1 ZINC001374117635 930428097 /nfs/dbraw/zinc/42/80/97/930428097.db2.gz YCELGPIMTYYLFF-NSHDSACASA-N 2 2 291.355 0.722 20 0 CCADLP CC[C@H](C(=O)N(C)CC[N@H+](C)Cc1ccnn1C)[NH+](C)C ZINC001374552595 930554379 /nfs/dbraw/zinc/55/43/79/930554379.db2.gz QXVNQDCKZPANDN-CQSZACIVSA-N 2 2 295.431 0.651 20 0 CCADLP CC[C@H](C(=O)N(C)CC[N@@H+](C)Cc1ccnn1C)[NH+](C)C ZINC001374552595 930554386 /nfs/dbraw/zinc/55/43/86/930554386.db2.gz QXVNQDCKZPANDN-CQSZACIVSA-N 2 2 295.431 0.651 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CC[N@@H+]1CC1CCC1 ZINC001375367487 930868267 /nfs/dbraw/zinc/86/82/67/930868267.db2.gz XMKQDGXOGMEYRJ-ZDUSSCGKSA-N 2 2 276.384 0.953 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CC[N@H+]1CC1CCC1 ZINC001375367487 930868268 /nfs/dbraw/zinc/86/82/68/930868268.db2.gz XMKQDGXOGMEYRJ-ZDUSSCGKSA-N 2 2 276.384 0.953 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC1([NH2+]CCn2cccn2)CC1 ZINC001375491025 930900530 /nfs/dbraw/zinc/90/05/30/930900530.db2.gz REQFWDSVQLPQBD-UHFFFAOYSA-N 2 2 288.355 0.087 20 0 CCADLP C[C@H](O)C[NH+]1CCC(C)(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001375774739 930971388 /nfs/dbraw/zinc/97/13/88/930971388.db2.gz HYULHXLJHAOWNU-LBPRGKRZSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@H](O)C[NH+]1CCC(C)(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001375774739 930971397 /nfs/dbraw/zinc/97/13/97/930971397.db2.gz HYULHXLJHAOWNU-LBPRGKRZSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@@H](O)CCC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001376068999 931041678 /nfs/dbraw/zinc/04/16/78/931041678.db2.gz KIAKVEUCZBVSHR-KGLIPLIRSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@@H](O)CCC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001376068999 931041685 /nfs/dbraw/zinc/04/16/85/931041685.db2.gz KIAKVEUCZBVSHR-KGLIPLIRSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@H](O)CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001376069004 931042770 /nfs/dbraw/zinc/04/27/70/931042770.db2.gz KIAKVEUCZBVSHR-UONOGXRCSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@H](O)CCC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001376069004 931042773 /nfs/dbraw/zinc/04/27/73/931042773.db2.gz KIAKVEUCZBVSHR-UONOGXRCSA-N 2 2 294.399 0.625 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@]1(O)CC[N@H+](CCC2CC2)C1 ZINC001376094667 931047133 /nfs/dbraw/zinc/04/71/33/931047133.db2.gz SFJSEFOBCSUFPR-HNNXBMFYSA-N 2 2 292.383 0.305 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@]1(O)CC[N@@H+](CCC2CC2)C1 ZINC001376094667 931047141 /nfs/dbraw/zinc/04/71/41/931047141.db2.gz SFJSEFOBCSUFPR-HNNXBMFYSA-N 2 2 292.383 0.305 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]([NH2+]CCO)C1CC1 ZINC001376246727 931104058 /nfs/dbraw/zinc/10/40/58/931104058.db2.gz CFQRCUNSJGARQZ-MFKMUULPSA-N 2 2 280.372 0.065 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]([NH2+]CCO)C1CC1 ZINC001376246727 931104062 /nfs/dbraw/zinc/10/40/62/931104062.db2.gz CFQRCUNSJGARQZ-MFKMUULPSA-N 2 2 280.372 0.065 20 0 CCADLP CC(C)N(CC[N@H+](C)CCO)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001449276642 931116341 /nfs/dbraw/zinc/11/63/41/931116341.db2.gz CWMVVXQZZMQIGO-CYBMUJFWSA-N 2 2 296.415 0.749 20 0 CCADLP CC(C)N(CC[N@@H+](C)CCO)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001449276642 931116343 /nfs/dbraw/zinc/11/63/43/931116343.db2.gz CWMVVXQZZMQIGO-CYBMUJFWSA-N 2 2 296.415 0.749 20 0 CCADLP CC(C)N(CC[N@@H+](C)CCO)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001449276642 931116349 /nfs/dbraw/zinc/11/63/49/931116349.db2.gz CWMVVXQZZMQIGO-CYBMUJFWSA-N 2 2 296.415 0.749 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C[NH2+]C[C@H](C)O)C(C)(C)C ZINC001449329117 931127045 /nfs/dbraw/zinc/12/70/45/931127045.db2.gz PIKUBXGPPHTPFA-GXFFZTMASA-N 2 2 296.415 0.762 20 0 CCADLP COC[C@H](C)[NH2+]CC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001376581565 931186552 /nfs/dbraw/zinc/18/65/52/931186552.db2.gz WRRRAQDUGYWTFY-UONOGXRCSA-N 2 2 294.399 0.746 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1csnn1 ZINC001376843115 931300089 /nfs/dbraw/zinc/30/00/89/931300089.db2.gz ASWRIQFUZCEHFK-SNVBAGLBSA-N 2 2 285.417 0.474 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1csnn1 ZINC001376843115 931300103 /nfs/dbraw/zinc/30/01/03/931300103.db2.gz ASWRIQFUZCEHFK-SNVBAGLBSA-N 2 2 285.417 0.474 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1csnn1 ZINC001376843111 931300791 /nfs/dbraw/zinc/30/07/91/931300791.db2.gz ASWRIQFUZCEHFK-JTQLQIEISA-N 2 2 285.417 0.474 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1csnn1 ZINC001376843111 931300799 /nfs/dbraw/zinc/30/07/99/931300799.db2.gz ASWRIQFUZCEHFK-JTQLQIEISA-N 2 2 285.417 0.474 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+]Cc1csnn1 ZINC001376868683 931308917 /nfs/dbraw/zinc/30/89/17/931308917.db2.gz SFTFFKHNEAQIGD-VIFPVBQESA-N 2 2 294.384 0.338 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+][C@@H](C)CNC(=O)C[NH+]2CCCC2)o1 ZINC001376871500 931310253 /nfs/dbraw/zinc/31/02/53/931310253.db2.gz ASFKWQPRTJMGLU-WDEREUQCSA-N 2 2 295.387 0.629 20 0 CCADLP COC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001377173525 931417994 /nfs/dbraw/zinc/41/79/94/931417994.db2.gz MZHYKFWAJKAVAK-QJPTWQEYSA-N 2 2 280.372 0.596 20 0 CCADLP COC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001377173525 931417999 /nfs/dbraw/zinc/41/79/99/931417999.db2.gz MZHYKFWAJKAVAK-QJPTWQEYSA-N 2 2 280.372 0.596 20 0 CCADLP COC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001377173525 931418005 /nfs/dbraw/zinc/41/80/05/931418005.db2.gz MZHYKFWAJKAVAK-QJPTWQEYSA-N 2 2 280.372 0.596 20 0 CCADLP COC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001377173525 931418012 /nfs/dbraw/zinc/41/80/12/931418012.db2.gz MZHYKFWAJKAVAK-QJPTWQEYSA-N 2 2 280.372 0.596 20 0 CCADLP Cc1nc(N2CCC([NH2+]CCO)CC2)c(C)c(C)[nH+]1 ZINC000092689469 349502694 /nfs/dbraw/zinc/50/26/94/349502694.db2.gz CJQKKWISDMJURQ-UHFFFAOYSA-N 2 2 264.373 0.953 20 0 CCADLP CC(C)[C@H]1CN(CC[N@@H+]2CCO[C@H](C)C2)CC[NH+]1C ZINC000337464761 214099693 /nfs/dbraw/zinc/09/96/93/214099693.db2.gz MDURDTXRKDZIBB-HUUCEWRRSA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@H]1CN(CC[N@H+]2CCO[C@H](C)C2)CC[NH+]1C ZINC000337464761 214099696 /nfs/dbraw/zinc/09/96/96/214099696.db2.gz MDURDTXRKDZIBB-HUUCEWRRSA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@H]1CN(CC[NH+]2CCO[C@H](C)C2)CC[N@@H+]1C ZINC000337464761 214099697 /nfs/dbraw/zinc/09/96/97/214099697.db2.gz MDURDTXRKDZIBB-HUUCEWRRSA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@H]1CN(CC[NH+]2CCO[C@H](C)C2)CC[N@H+]1C ZINC000337464761 214099700 /nfs/dbraw/zinc/09/97/00/214099700.db2.gz MDURDTXRKDZIBB-HUUCEWRRSA-N 2 2 269.433 0.979 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)C(=O)NC3CC3)C2)CC1 ZINC000337499118 214122568 /nfs/dbraw/zinc/12/25/68/214122568.db2.gz KPEUZDMIOMUMEC-HIFRSBDPSA-N 2 2 294.443 0.365 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)C(=O)NC3CC3)C2)CC1 ZINC000337499118 214122573 /nfs/dbraw/zinc/12/25/73/214122573.db2.gz KPEUZDMIOMUMEC-HIFRSBDPSA-N 2 2 294.443 0.365 20 0 CCADLP C[C@@H]1SCC[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@H]1C ZINC000093174874 349530072 /nfs/dbraw/zinc/53/00/72/349530072.db2.gz SLWYYQBZGCIVAV-RYUDHWBXSA-N 2 2 271.430 0.586 20 0 CCADLP C[C@@H]1SCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@H]1C ZINC000093174874 349530076 /nfs/dbraw/zinc/53/00/76/349530076.db2.gz SLWYYQBZGCIVAV-RYUDHWBXSA-N 2 2 271.430 0.586 20 0 CCADLP CCOC[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093178425 349530195 /nfs/dbraw/zinc/53/01/95/349530195.db2.gz CSHIHYYBISKOHG-CYBMUJFWSA-N 2 2 269.389 0.119 20 0 CCADLP CCOC[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093178425 349530199 /nfs/dbraw/zinc/53/01/99/349530199.db2.gz CSHIHYYBISKOHG-CYBMUJFWSA-N 2 2 269.389 0.119 20 0 CCADLP C[C@H]1SCC[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@H]1C ZINC000093174876 349529290 /nfs/dbraw/zinc/52/92/90/349529290.db2.gz SLWYYQBZGCIVAV-NWDGAFQWSA-N 2 2 271.430 0.586 20 0 CCADLP C[C@H]1SCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@H]1C ZINC000093174876 349529294 /nfs/dbraw/zinc/52/92/94/349529294.db2.gz SLWYYQBZGCIVAV-NWDGAFQWSA-N 2 2 271.430 0.586 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000094341963 349568458 /nfs/dbraw/zinc/56/84/58/349568458.db2.gz WPJRFSVILFSGRE-QWRGUYRKSA-N 2 2 270.377 0.137 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000094341963 349568463 /nfs/dbraw/zinc/56/84/63/349568463.db2.gz WPJRFSVILFSGRE-QWRGUYRKSA-N 2 2 270.377 0.137 20 0 CCADLP Cc1nc(C[NH+]2CCC(OCCC[NH3+])CC2)no1 ZINC000094072127 349560227 /nfs/dbraw/zinc/56/02/27/349560227.db2.gz OBGONEZJCZJYOU-UHFFFAOYSA-N 2 2 254.334 0.708 20 0 CCADLP COC(=O)C(C)(C)CC[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000600206536 361889690 /nfs/dbraw/zinc/88/96/90/361889690.db2.gz FAEXLDUABVNHMX-LLVKDONJSA-N 2 2 258.362 0.232 20 0 CCADLP COC(=O)C(C)(C)CC[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000600206536 361889697 /nfs/dbraw/zinc/88/96/97/361889697.db2.gz FAEXLDUABVNHMX-LLVKDONJSA-N 2 2 258.362 0.232 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CCO1 ZINC000418805005 529392693 /nfs/dbraw/zinc/39/26/93/529392693.db2.gz ZRAWDCDICXFVSK-BFHYXJOUSA-N 2 2 298.431 0.524 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CCO1 ZINC000418805005 529392694 /nfs/dbraw/zinc/39/26/94/529392694.db2.gz ZRAWDCDICXFVSK-BFHYXJOUSA-N 2 2 298.431 0.524 20 0 CCADLP CC[C@H](Cn1cncn1)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000453268050 529435204 /nfs/dbraw/zinc/43/52/04/529435204.db2.gz PTBYDXFUSDPNRV-KGLIPLIRSA-N 2 2 281.404 0.493 20 0 CCADLP CC[C@H](Cn1cncn1)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000453268050 529435205 /nfs/dbraw/zinc/43/52/05/529435205.db2.gz PTBYDXFUSDPNRV-KGLIPLIRSA-N 2 2 281.404 0.493 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)[C@@H](C)C1 ZINC000338199747 214445917 /nfs/dbraw/zinc/44/59/17/214445917.db2.gz TUUBXQDGBYKRAU-XQQFMLRXSA-N 2 2 289.445 0.198 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)[C@@H](C)C1 ZINC000338199747 214445919 /nfs/dbraw/zinc/44/59/19/214445919.db2.gz TUUBXQDGBYKRAU-XQQFMLRXSA-N 2 2 289.445 0.198 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000493802059 529559524 /nfs/dbraw/zinc/55/95/24/529559524.db2.gz IOFPCLVZFSLDAZ-BYCRGOAPSA-N 2 2 264.329 0.021 20 0 CCADLP C[C@@H](NC(=O)CCCn1cc[nH+]c1)[C@@H](C)[NH+]1CCOCC1 ZINC000104598786 349717767 /nfs/dbraw/zinc/71/77/67/349717767.db2.gz JUCBCSPKODKBFK-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP CN(Cc1ccccc1)C(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107574235 349738857 /nfs/dbraw/zinc/73/88/57/349738857.db2.gz ILHYTILKWYVGSU-HUUCEWRRSA-N 2 2 273.380 0.796 20 0 CCADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)NCc1ccc(F)cc1 ZINC000107855028 349741591 /nfs/dbraw/zinc/74/15/91/349741591.db2.gz GWJQDPACUZHNAX-CHWSQXEVSA-N 2 2 277.343 0.593 20 0 CCADLP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cnn(C)c1 ZINC000358265255 529622763 /nfs/dbraw/zinc/62/27/63/529622763.db2.gz ZJUZPICVVJKZOJ-QWHCGFSZSA-N 2 2 252.362 0.527 20 0 CCADLP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cnn(C)c1 ZINC000358265255 529622764 /nfs/dbraw/zinc/62/27/64/529622764.db2.gz ZJUZPICVVJKZOJ-QWHCGFSZSA-N 2 2 252.362 0.527 20 0 CCADLP COC(=O)c1cnc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cn1 ZINC000600711405 362042436 /nfs/dbraw/zinc/04/24/36/362042436.db2.gz SYUQBAQOYPZSLV-UWVGGRQHSA-N 2 2 264.329 0.432 20 0 CCADLP COC(=O)c1cnc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cn1 ZINC000600711405 362042441 /nfs/dbraw/zinc/04/24/41/362042441.db2.gz SYUQBAQOYPZSLV-UWVGGRQHSA-N 2 2 264.329 0.432 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+]2C[C@H](C)OC[C@@H]2C)C1 ZINC000617724040 365731956 /nfs/dbraw/zinc/73/19/56/365731956.db2.gz UZDLPXSLERXXPV-RDBSUJKOSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+]2C[C@H](C)OC[C@@H]2C)C1 ZINC000617724040 365731960 /nfs/dbraw/zinc/73/19/60/365731960.db2.gz UZDLPXSLERXXPV-RDBSUJKOSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)C1 ZINC000617724040 365731964 /nfs/dbraw/zinc/73/19/64/365731964.db2.gz UZDLPXSLERXXPV-RDBSUJKOSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)C1 ZINC000617724040 365731968 /nfs/dbraw/zinc/73/19/68/365731968.db2.gz UZDLPXSLERXXPV-RDBSUJKOSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@H](C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C)[NH+](C)C ZINC000617730554 365740366 /nfs/dbraw/zinc/74/03/66/365740366.db2.gz OGZISVHVFKXZIP-RWMBFGLXSA-N 2 2 271.405 0.552 20 0 CCADLP CC[C@H](C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C)[NH+](C)C ZINC000617730554 365740370 /nfs/dbraw/zinc/74/03/70/365740370.db2.gz OGZISVHVFKXZIP-RWMBFGLXSA-N 2 2 271.405 0.552 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000600987536 362117614 /nfs/dbraw/zinc/11/76/14/362117614.db2.gz BEGAZPRDIQTBBW-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000600987536 362117622 /nfs/dbraw/zinc/11/76/22/362117622.db2.gz BEGAZPRDIQTBBW-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP COC(=O)c1coc([C@H](C)[N@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000601322652 362219444 /nfs/dbraw/zinc/21/94/44/362219444.db2.gz HGROPYUPLGBBQD-NSHDSACASA-N 2 2 296.371 0.359 20 0 CCADLP COC(=O)c1coc([C@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000601322652 362219447 /nfs/dbraw/zinc/21/94/47/362219447.db2.gz HGROPYUPLGBBQD-NSHDSACASA-N 2 2 296.371 0.359 20 0 CCADLP COC(=O)c1coc([C@H](C)[N@H+](C)CCOCC[NH3+])n1 ZINC000601323069 362219985 /nfs/dbraw/zinc/21/99/85/362219985.db2.gz CJBWBBQIFOLJFE-VIFPVBQESA-N 2 2 271.317 0.429 20 0 CCADLP COC(=O)c1coc([C@H](C)[N@@H+](C)CCOCC[NH3+])n1 ZINC000601323069 362219989 /nfs/dbraw/zinc/21/99/89/362219989.db2.gz CJBWBBQIFOLJFE-VIFPVBQESA-N 2 2 271.317 0.429 20 0 CCADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@H](O)C1 ZINC000113502623 349813350 /nfs/dbraw/zinc/81/33/50/349813350.db2.gz ZRBLXPWTGGEXCQ-GJZGRUSLSA-N 2 2 264.369 0.546 20 0 CCADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@H](O)C1 ZINC000113502623 349813351 /nfs/dbraw/zinc/81/33/51/349813351.db2.gz ZRBLXPWTGGEXCQ-GJZGRUSLSA-N 2 2 264.369 0.546 20 0 CCADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@H](O)C1 ZINC000113502623 349813352 /nfs/dbraw/zinc/81/33/52/349813352.db2.gz ZRBLXPWTGGEXCQ-GJZGRUSLSA-N 2 2 264.369 0.546 20 0 CCADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@H](O)C1 ZINC000113502623 349813353 /nfs/dbraw/zinc/81/33/53/349813353.db2.gz ZRBLXPWTGGEXCQ-GJZGRUSLSA-N 2 2 264.369 0.546 20 0 CCADLP C[C@H](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH+](C)C ZINC000617759363 365762312 /nfs/dbraw/zinc/76/23/12/365762312.db2.gz FLJGFEPGJGZMMC-VXGBXAGGSA-N 2 2 264.373 0.902 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000617761950 365764275 /nfs/dbraw/zinc/76/42/75/365764275.db2.gz CNGMGKFVTUODKS-MCIONIFRSA-N 2 2 283.416 0.554 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000617761950 365764282 /nfs/dbraw/zinc/76/42/82/365764282.db2.gz CNGMGKFVTUODKS-MCIONIFRSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@H](O)CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617763359 365765701 /nfs/dbraw/zinc/76/57/01/365765701.db2.gz OLQOJFSMBOVBHC-LBPRGKRZSA-N 2 2 259.394 0.147 20 0 CCADLP CC[C@H](O)CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617763359 365765709 /nfs/dbraw/zinc/76/57/09/365765709.db2.gz OLQOJFSMBOVBHC-LBPRGKRZSA-N 2 2 259.394 0.147 20 0 CCADLP CO[C@@](C)(C(=O)NCC[N@H+](C)CCC[NH+](C)C)C1CC1 ZINC000617764028 365766610 /nfs/dbraw/zinc/76/66/10/365766610.db2.gz GGCXBLOCEGMMCJ-OAHLLOKOSA-N 2 2 285.432 0.801 20 0 CCADLP CO[C@@](C)(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1CC1 ZINC000617764028 365766618 /nfs/dbraw/zinc/76/66/18/365766618.db2.gz GGCXBLOCEGMMCJ-OAHLLOKOSA-N 2 2 285.432 0.801 20 0 CCADLP CCc1nc(N2CC[N@H+](CCO)C[C@H]2C)cc(C)[nH+]1 ZINC000450959376 529730204 /nfs/dbraw/zinc/73/02/04/529730204.db2.gz YAPNLKBWLDXYJZ-GFCCVEGCSA-N 2 2 264.373 0.850 20 0 CCADLP CCc1nc(N2CC[N@@H+](CCO)C[C@H]2C)cc(C)[nH+]1 ZINC000450959376 529730205 /nfs/dbraw/zinc/73/02/05/529730205.db2.gz YAPNLKBWLDXYJZ-GFCCVEGCSA-N 2 2 264.373 0.850 20 0 CCADLP COC(C)(C)CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764489 365768780 /nfs/dbraw/zinc/76/87/80/365768780.db2.gz ZJYLRVGLRMOMLP-UHFFFAOYSA-N 2 2 273.421 0.801 20 0 CCADLP COC(C)(C)CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764489 365768785 /nfs/dbraw/zinc/76/87/85/365768785.db2.gz ZJYLRVGLRMOMLP-UHFFFAOYSA-N 2 2 273.421 0.801 20 0 CCADLP Cc1ccnc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000617764454 365769103 /nfs/dbraw/zinc/76/91/03/365769103.db2.gz YKSBMGUUUJRSAX-UHFFFAOYSA-N 2 2 279.388 0.398 20 0 CCADLP Cc1ccnc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000617764454 365769107 /nfs/dbraw/zinc/76/91/07/365769107.db2.gz YKSBMGUUUJRSAX-UHFFFAOYSA-N 2 2 279.388 0.398 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ncccc1O ZINC000617764809 365769186 /nfs/dbraw/zinc/76/91/86/365769186.db2.gz HULQHTFCTBBSRC-UHFFFAOYSA-N 2 2 280.372 0.401 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ncccc1O ZINC000617764809 365769190 /nfs/dbraw/zinc/76/91/90/365769190.db2.gz HULQHTFCTBBSRC-UHFFFAOYSA-N 2 2 280.372 0.401 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1CCC(=O)CC1 ZINC000617766634 365772576 /nfs/dbraw/zinc/77/25/76/365772576.db2.gz SEUZXDHTZXDVKO-UHFFFAOYSA-N 2 2 283.416 0.745 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1CCC(=O)CC1 ZINC000617766634 365772583 /nfs/dbraw/zinc/77/25/83/365772583.db2.gz SEUZXDHTZXDVKO-UHFFFAOYSA-N 2 2 283.416 0.745 20 0 CCADLP Cc1cc(=O)c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c[nH]1 ZINC000617766915 365772744 /nfs/dbraw/zinc/77/27/44/365772744.db2.gz YYMGOVDAASBZGM-UHFFFAOYSA-N 2 2 294.399 0.297 20 0 CCADLP Cc1cc(=O)c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c[nH]1 ZINC000617766915 365772750 /nfs/dbraw/zinc/77/27/50/365772750.db2.gz YYMGOVDAASBZGM-UHFFFAOYSA-N 2 2 294.399 0.297 20 0 CCADLP COC(C)(C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617766260 365771108 /nfs/dbraw/zinc/77/11/08/365771108.db2.gz DCUBZTNEZRDFCN-UHFFFAOYSA-N 2 2 259.394 0.411 20 0 CCADLP COC(C)(C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617766260 365771111 /nfs/dbraw/zinc/77/11/11/365771111.db2.gz DCUBZTNEZRDFCN-UHFFFAOYSA-N 2 2 259.394 0.411 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cn3ccccc3n2)C1 ZINC000358148528 529800544 /nfs/dbraw/zinc/80/05/44/529800544.db2.gz YOUHYQXGUXAUDN-CQSZACIVSA-N 2 2 260.341 0.491 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cn3ccccc3n2)C1 ZINC000358148528 529800545 /nfs/dbraw/zinc/80/05/45/529800545.db2.gz YOUHYQXGUXAUDN-CQSZACIVSA-N 2 2 260.341 0.491 20 0 CCADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000453585589 529800568 /nfs/dbraw/zinc/80/05/68/529800568.db2.gz GZOKNYVUJXGBOU-CQSZACIVSA-N 2 2 262.357 0.906 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2CC[C@](O)(C3CC3)C2)n1C ZINC000425347091 529808403 /nfs/dbraw/zinc/80/84/03/529808403.db2.gz XGJGPQLVXQKKIX-CQSZACIVSA-N 2 2 264.373 0.833 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2CC[C@](O)(C3CC3)C2)n1C ZINC000425347091 529808404 /nfs/dbraw/zinc/80/84/04/529808404.db2.gz XGJGPQLVXQKKIX-CQSZACIVSA-N 2 2 264.373 0.833 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cccc3c2OCO3)C1 ZINC000358158981 529809798 /nfs/dbraw/zinc/80/97/98/529809798.db2.gz JAHBILRUGQWYTF-AWEZNQCLSA-N 2 2 264.325 0.572 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cccc3c2OCO3)C1 ZINC000358158981 529809799 /nfs/dbraw/zinc/80/97/99/529809799.db2.gz JAHBILRUGQWYTF-AWEZNQCLSA-N 2 2 264.325 0.572 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCCC(N)=O ZINC000426443524 529903577 /nfs/dbraw/zinc/90/35/77/529903577.db2.gz PGTJPGWBIXRLHQ-UHFFFAOYSA-N 2 2 298.431 0.126 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCCC(N)=O ZINC000426443524 529903579 /nfs/dbraw/zinc/90/35/79/529903579.db2.gz PGTJPGWBIXRLHQ-UHFFFAOYSA-N 2 2 298.431 0.126 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@]2(CCO)CCOC2)n1C ZINC000425331587 282321117 /nfs/dbraw/zinc/32/11/17/282321117.db2.gz BXDHRBYICDVEOC-CYBMUJFWSA-N 2 2 268.361 0.117 20 0 CCADLP C[NH2+]CCCC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000423876966 529961786 /nfs/dbraw/zinc/96/17/86/529961786.db2.gz SNZXVVHYQPGIJQ-CQSZACIVSA-N 2 2 283.416 0.555 20 0 CCADLP C[NH2+]CCCC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000423876966 529961787 /nfs/dbraw/zinc/96/17/87/529961787.db2.gz SNZXVVHYQPGIJQ-CQSZACIVSA-N 2 2 283.416 0.555 20 0 CCADLP C[NH+]1CCC(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000424195497 530047987 /nfs/dbraw/zinc/04/79/87/530047987.db2.gz SWHJXSLSADYSDU-LLVKDONJSA-N 2 2 275.343 0.689 20 0 CCADLP C[N@@H+]1CCC[C@H](N2CCN(Cc3c[nH+]c[nH]3)CC2)C1 ZINC000367471987 530061265 /nfs/dbraw/zinc/06/12/65/530061265.db2.gz ANDRSWWHQJAHDH-AWEZNQCLSA-N 2 2 263.389 0.622 20 0 CCADLP C[N@H+]1CCC[C@H](N2CCN(Cc3c[nH+]c[nH]3)CC2)C1 ZINC000367471987 530061266 /nfs/dbraw/zinc/06/12/66/530061266.db2.gz ANDRSWWHQJAHDH-AWEZNQCLSA-N 2 2 263.389 0.622 20 0 CCADLP Cc1cc(NCCCC[NH+]2CCN(CCO)CC2)nc[nH+]1 ZINC000358199655 232062308 /nfs/dbraw/zinc/06/23/08/232062308.db2.gz WHICFGLDMXCFGJ-UHFFFAOYSA-N 2 2 293.415 0.009 20 0 CCADLP CN(CC(F)(F)F)C(=O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430560409 282374678 /nfs/dbraw/zinc/37/46/78/282374678.db2.gz WBHCQRQAPDWVJA-SNVBAGLBSA-N 2 2 267.295 0.724 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000655244072 412519046 /nfs/dbraw/zinc/51/90/46/412519046.db2.gz MIWORKJFRHYISW-MQYQWHSLSA-N 2 2 285.432 0.941 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000655244072 412519049 /nfs/dbraw/zinc/51/90/49/412519049.db2.gz MIWORKJFRHYISW-MQYQWHSLSA-N 2 2 285.432 0.941 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CC[C@H](O)CC2)n1C ZINC000253117548 290750794 /nfs/dbraw/zinc/75/07/94/290750794.db2.gz GREHSDAJINFYSU-UMSPYCQHSA-N 2 2 252.362 0.879 20 0 CCADLP CC[C@@H](C(=O)N1CC[NH+](C)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000339238362 215031923 /nfs/dbraw/zinc/03/19/23/215031923.db2.gz MMIFWUQMZNHUMN-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@@H](C(=O)N1CC[NH+](C)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000339238362 215031925 /nfs/dbraw/zinc/03/19/25/215031925.db2.gz MMIFWUQMZNHUMN-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCCn1cc[nH+]c1C ZINC000339259661 215046657 /nfs/dbraw/zinc/04/66/57/215046657.db2.gz PSXMQVHVMJDIRS-UHFFFAOYSA-N 2 2 261.329 0.972 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)NCCCn1cc[nH+]c1C ZINC000339259661 215046658 /nfs/dbraw/zinc/04/66/58/215046658.db2.gz PSXMQVHVMJDIRS-UHFFFAOYSA-N 2 2 261.329 0.972 20 0 CCADLP Cc1ccn2cc(CNC(=O)C3([NH3+])CCOCC3)[nH+]c2c1 ZINC000261662633 137015082 /nfs/dbraw/zinc/01/50/82/137015082.db2.gz BEOOFMNIJHFHKF-UHFFFAOYSA-N 2 2 288.351 0.767 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)[nH]1 ZINC000252607950 137003039 /nfs/dbraw/zinc/00/30/39/137003039.db2.gz RVAUJFQGLAEXSE-QWHCGFSZSA-N 2 2 293.367 0.754 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)[nH]1 ZINC000252607950 137003040 /nfs/dbraw/zinc/00/30/40/137003040.db2.gz RVAUJFQGLAEXSE-QWHCGFSZSA-N 2 2 293.367 0.754 20 0 CCADLP NC(=O)c1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000252668360 137004057 /nfs/dbraw/zinc/00/40/57/137004057.db2.gz VNXUHFKTYFGZRX-LSDHHAIUSA-N 2 2 289.379 0.738 20 0 CCADLP NC(=O)c1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000252668360 137004058 /nfs/dbraw/zinc/00/40/58/137004058.db2.gz VNXUHFKTYFGZRX-LSDHHAIUSA-N 2 2 289.379 0.738 20 0 CCADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCCCC1 ZINC000261573297 137009214 /nfs/dbraw/zinc/00/92/14/137009214.db2.gz MEJBONKBTAFHKP-QWHCGFSZSA-N 2 2 251.374 0.540 20 0 CCADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCCCC1 ZINC000261573297 137009215 /nfs/dbraw/zinc/00/92/15/137009215.db2.gz MEJBONKBTAFHKP-QWHCGFSZSA-N 2 2 251.374 0.540 20 0 CCADLP CC(C)[C@@H](C)NC(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261577463 137009741 /nfs/dbraw/zinc/00/97/41/137009741.db2.gz OJYMBCGNDAJCDY-TZMCWYRMSA-N 2 2 253.390 0.833 20 0 CCADLP CC(C)[C@@H](C)NC(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261577463 137009742 /nfs/dbraw/zinc/00/97/42/137009742.db2.gz OJYMBCGNDAJCDY-TZMCWYRMSA-N 2 2 253.390 0.833 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@](C)(C[NH3+])C2)CC1 ZINC000261606559 137011810 /nfs/dbraw/zinc/01/18/10/137011810.db2.gz ASJXUPBMOUCESS-UKRRQHHQSA-N 3 2 282.432 0.210 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@](C)(C[NH3+])C2)CC1 ZINC000261606559 137011811 /nfs/dbraw/zinc/01/18/11/137011811.db2.gz ASJXUPBMOUCESS-UKRRQHHQSA-N 3 2 282.432 0.210 20 0 CCADLP CN(C)[C@H](C(=O)N(C)CC1C[NH+](C)C1)c1c[nH+]cn1C ZINC000618190130 365921442 /nfs/dbraw/zinc/92/14/42/365921442.db2.gz IGOQAKHDSOGRSE-ZDUSSCGKSA-N 2 2 279.388 0.043 20 0 CCADLP C[NH+](C)CC1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263174495 137059484 /nfs/dbraw/zinc/05/94/84/137059484.db2.gz GAZDIYADPUBFRW-NSHDSACASA-N 2 2 275.343 0.784 20 0 CCADLP COC[C@@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000262387000 137041743 /nfs/dbraw/zinc/04/17/43/137041743.db2.gz YMHBUPKBFRCAPK-CMPLNLGQSA-N 2 2 297.424 0.585 20 0 CCADLP COC[C@@H]([NH3+])C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000262387000 137041744 /nfs/dbraw/zinc/04/17/44/137041744.db2.gz YMHBUPKBFRCAPK-CMPLNLGQSA-N 2 2 297.424 0.585 20 0 CCADLP [NH3+]C[C@@H](C(=O)N1CC[NH+](CCO)CC1)c1ccc(F)cc1 ZINC000262419900 137042766 /nfs/dbraw/zinc/04/27/66/137042766.db2.gz RPUHXDMMBMZEPC-CQSZACIVSA-N 2 2 295.358 0.005 20 0 CCADLP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262419929 137042823 /nfs/dbraw/zinc/04/28/23/137042823.db2.gz RQDNQBUAHCWXJD-OLZOCXBDSA-N 2 2 295.333 0.987 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000262713419 137051574 /nfs/dbraw/zinc/05/15/74/137051574.db2.gz SLFCQVSVSBREQP-BZPMIXESSA-N 2 2 271.405 0.729 20 0 CCADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[NH+](CC2CC2)CC1 ZINC000262915813 137055372 /nfs/dbraw/zinc/05/53/72/137055372.db2.gz GFTKJNFXGPCOBS-NSHDSACASA-N 2 2 273.327 0.538 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000262969268 137056492 /nfs/dbraw/zinc/05/64/92/137056492.db2.gz LRJQXLUOXKWAGT-GMTAPVOTSA-N 2 2 275.343 0.973 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263105895 137058498 /nfs/dbraw/zinc/05/84/98/137058498.db2.gz ZWEIXMBPVUHCLE-LLVKDONJSA-N 2 2 275.343 0.973 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000261728630 137017278 /nfs/dbraw/zinc/01/72/78/137017278.db2.gz OCCBCOVQDIRKFZ-NSHDSACASA-N 2 2 250.346 0.907 20 0 CCADLP CC[N@@H+]1CCO[C@H](c2nc(C[C@H](C)[NH2+]C)no2)C1 ZINC000261761239 137018672 /nfs/dbraw/zinc/01/86/72/137018672.db2.gz MKKUKRRZOYUHGU-UWVGGRQHSA-N 2 2 254.334 0.613 20 0 CCADLP CC[N@H+]1CCO[C@H](c2nc(C[C@H](C)[NH2+]C)no2)C1 ZINC000261761239 137018673 /nfs/dbraw/zinc/01/86/73/137018673.db2.gz MKKUKRRZOYUHGU-UWVGGRQHSA-N 2 2 254.334 0.613 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC(C)(C)[NH3+] ZINC000261805511 137021247 /nfs/dbraw/zinc/02/12/47/137021247.db2.gz HGRPZSAVTHHDSK-JHJVBQTASA-N 3 2 255.406 0.907 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC(C)(C)[NH3+] ZINC000261805511 137021248 /nfs/dbraw/zinc/02/12/48/137021248.db2.gz HGRPZSAVTHHDSK-JHJVBQTASA-N 3 2 255.406 0.907 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261828410 137021530 /nfs/dbraw/zinc/02/15/30/137021530.db2.gz TZBSNBCUUVXHHE-RWMBFGLXSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261828410 137021531 /nfs/dbraw/zinc/02/15/31/137021531.db2.gz TZBSNBCUUVXHHE-RWMBFGLXSA-N 2 2 269.389 0.341 20 0 CCADLP CC[C@@H]1CN(CC(C)(C)[NH3+])C[C@H]1[NH+]1CCOCC1 ZINC000261823194 137021564 /nfs/dbraw/zinc/02/15/64/137021564.db2.gz IOIYCOTWIJANEB-CHWSQXEVSA-N 2 2 255.406 0.766 20 0 CCADLP CC[C@@H]1C[N@H+](CC(C)(C)[NH3+])C[C@H]1N1CCOCC1 ZINC000261823194 137021565 /nfs/dbraw/zinc/02/15/65/137021565.db2.gz IOIYCOTWIJANEB-CHWSQXEVSA-N 2 2 255.406 0.766 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(C)(C)[NH3+])C[C@H]1N1CCOCC1 ZINC000261823194 137021566 /nfs/dbraw/zinc/02/15/66/137021566.db2.gz IOIYCOTWIJANEB-CHWSQXEVSA-N 2 2 255.406 0.766 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CC[C@H]2CC[NH2+]C2)CC1 ZINC000261847479 137022594 /nfs/dbraw/zinc/02/25/94/137022594.db2.gz OLQLLVCNDIGSIO-AWEZNQCLSA-N 3 2 296.459 0.518 20 0 CCADLP CCC(C)(C)NC(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261873654 137023616 /nfs/dbraw/zinc/02/36/16/137023616.db2.gz ZLIHNHHJWFPEGX-CYBMUJFWSA-N 2 2 282.432 0.271 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261896165 137024687 /nfs/dbraw/zinc/02/46/87/137024687.db2.gz ULUQZAYEJZDEMD-QWHCGFSZSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261896165 137024688 /nfs/dbraw/zinc/02/46/88/137024688.db2.gz ULUQZAYEJZDEMD-QWHCGFSZSA-N 2 2 269.389 0.213 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000618191633 365923076 /nfs/dbraw/zinc/92/30/76/365923076.db2.gz MDKLXDOTQLKHAA-GFCCVEGCSA-N 2 2 262.357 0.466 20 0 CCADLP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000263159879 137059266 /nfs/dbraw/zinc/05/92/66/137059266.db2.gz DTDIFLDWZBNLBK-MFKMUULPSA-N 2 2 250.346 0.976 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000262160848 137028931 /nfs/dbraw/zinc/02/89/31/137028931.db2.gz UWHGTARUAXJROM-YPMHNXCESA-N 2 2 257.378 0.341 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000312256123 137076942 /nfs/dbraw/zinc/07/69/42/137076942.db2.gz NQCJDDFBUWCVJU-AWEZNQCLSA-N 2 2 282.388 0.298 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000312256123 137076943 /nfs/dbraw/zinc/07/69/43/137076943.db2.gz NQCJDDFBUWCVJU-AWEZNQCLSA-N 2 2 282.388 0.298 20 0 CCADLP CC(C)CCNC(=O)[C@H](C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000314019535 137078928 /nfs/dbraw/zinc/07/89/28/137078928.db2.gz WOGMURYXFJULRK-LSDHHAIUSA-N 2 2 296.459 0.517 20 0 CCADLP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC)C1 ZINC000342415908 137092928 /nfs/dbraw/zinc/09/29/28/137092928.db2.gz NZXVEXPPHWMVBS-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CC)C1 ZINC000342415908 137092929 /nfs/dbraw/zinc/09/29/29/137092929.db2.gz NZXVEXPPHWMVBS-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)C1 ZINC000343457227 137136564 /nfs/dbraw/zinc/13/65/64/137136564.db2.gz WDVGMKNLYNKFIG-OAGGEKHMSA-N 3 2 282.476 0.942 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)C1 ZINC000343457227 137136565 /nfs/dbraw/zinc/13/65/65/137136565.db2.gz WDVGMKNLYNKFIG-OAGGEKHMSA-N 3 2 282.476 0.942 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000343788723 137157586 /nfs/dbraw/zinc/15/75/86/137157586.db2.gz BDBBUEHYVVMEAQ-NSHDSACASA-N 2 2 286.326 0.976 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000343860577 137162154 /nfs/dbraw/zinc/16/21/54/137162154.db2.gz FYGXPBJWNUWVFV-NSHDSACASA-N 2 2 291.342 0.022 20 0 CCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)[C@H]1CCC[NH2+]C1 ZINC000343861596 137162365 /nfs/dbraw/zinc/16/23/65/137162365.db2.gz GJXBHLRTOUMZSA-STQMWFEESA-N 2 2 274.368 0.776 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)NC2CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343891183 137164411 /nfs/dbraw/zinc/16/44/11/137164411.db2.gz XCHMBLRCSVRKDJ-HIFRSBDPSA-N 2 2 294.443 0.223 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343891183 137164412 /nfs/dbraw/zinc/16/44/12/137164412.db2.gz XCHMBLRCSVRKDJ-HIFRSBDPSA-N 2 2 294.443 0.223 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCNC(=O)c2cnccn2)C1 ZINC000343916573 137166516 /nfs/dbraw/zinc/16/65/16/137166516.db2.gz QIVDGNMOTWHDTP-WCQYABFASA-N 2 2 277.372 0.136 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCNC(=O)c2cnccn2)C1 ZINC000343916573 137166517 /nfs/dbraw/zinc/16/65/17/137166517.db2.gz QIVDGNMOTWHDTP-WCQYABFASA-N 2 2 277.372 0.136 20 0 CCADLP C[C@@H]1C[C@H](C(=O)NCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000344179473 137181633 /nfs/dbraw/zinc/18/16/33/137181633.db2.gz FSHGTSFXJRBZHH-CHWSQXEVSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H]1C[C@H](C(=O)NCC[NH+]2CCOCC2)CC[N@H+]1C ZINC000344179473 137181634 /nfs/dbraw/zinc/18/16/34/137181634.db2.gz FSHGTSFXJRBZHH-CHWSQXEVSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000344219695 137184486 /nfs/dbraw/zinc/18/44/86/137184486.db2.gz GHKJRMMABGCXLU-KFWWJZLASA-N 2 2 296.459 0.469 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000344219695 137184487 /nfs/dbraw/zinc/18/44/87/137184487.db2.gz GHKJRMMABGCXLU-KFWWJZLASA-N 2 2 296.459 0.469 20 0 CCADLP Cc1cc(NC(=O)N[C@@H](C)C[NH+]2CCOCC2)c(C)c[nH+]1 ZINC000535773275 290841658 /nfs/dbraw/zinc/84/16/58/290841658.db2.gz DHRNUOUXPAFORH-ZDUSSCGKSA-N 2 2 292.383 0.963 20 0 CCADLP Cc1nc(N2CC[NH+]3CCC2CC3)nc(N(C)C)[nH+]1 ZINC000344822643 137215588 /nfs/dbraw/zinc/21/55/88/137215588.db2.gz XUFVSQOTWZCSQA-UHFFFAOYSA-N 2 2 262.361 0.530 20 0 CCADLP COC(=O)CN1CCC([NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)CC1 ZINC000344699897 137208559 /nfs/dbraw/zinc/20/85/59/137208559.db2.gz AVKVEHIXDFJRQT-GXTWGEPZSA-N 2 2 283.416 0.696 20 0 CCADLP COC(=O)CN1CCC([NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)CC1 ZINC000344699897 137208560 /nfs/dbraw/zinc/20/85/60/137208560.db2.gz AVKVEHIXDFJRQT-GXTWGEPZSA-N 2 2 283.416 0.696 20 0 CCADLP [NH3+]CCCC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000037008452 348177756 /nfs/dbraw/zinc/17/77/56/348177756.db2.gz NPYIGQYGSLWSHE-UHFFFAOYSA-N 2 2 262.357 0.906 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000037008724 348178725 /nfs/dbraw/zinc/17/87/25/348178725.db2.gz GMVQQBGVVRMQEG-SDDRHHMPSA-N 2 2 257.378 0.197 20 0 CCADLP C[N@@H+]1CCc2nc(NC(=O)CCC[NH3+])sc2C1 ZINC000031959316 348129456 /nfs/dbraw/zinc/12/94/56/348129456.db2.gz LHHRERWDBACSJX-UHFFFAOYSA-N 2 2 254.359 0.808 20 0 CCADLP C[N@H+]1CCc2nc(NC(=O)CCC[NH3+])sc2C1 ZINC000031959316 348129460 /nfs/dbraw/zinc/12/94/60/348129460.db2.gz LHHRERWDBACSJX-UHFFFAOYSA-N 2 2 254.359 0.808 20 0 CCADLP C[NH2+]CCCC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000037802794 348206430 /nfs/dbraw/zinc/20/64/30/348206430.db2.gz DUTXWXLXXUFKIE-UHFFFAOYSA-N 2 2 276.384 0.725 20 0 CCADLP O=C(CC[NH2+]C1CC1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000037818482 348209951 /nfs/dbraw/zinc/20/99/51/348209951.db2.gz INQGWJQTCYUUPZ-UHFFFAOYSA-N 2 2 288.395 0.868 20 0 CCADLP COCCCn1nccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000339410460 215155588 /nfs/dbraw/zinc/15/55/88/215155588.db2.gz UCXDSLMBVDOXFL-CHWSQXEVSA-N 2 2 264.373 0.571 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000346479139 137288855 /nfs/dbraw/zinc/28/88/55/137288855.db2.gz GBEKIYXVFVRGGM-CYBMUJFWSA-N 2 2 292.383 0.441 20 0 CCADLP Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2C[NH2+]CCO2)cn1 ZINC000043708376 348313443 /nfs/dbraw/zinc/31/34/43/348313443.db2.gz IFZYJRSTZTXCAT-GFCCVEGCSA-N 2 2 287.323 0.503 20 0 CCADLP COC(=O)c1cc(C[NH+]2CCC(C[NH3+])CC2)c[nH]1 ZINC000346680635 137298981 /nfs/dbraw/zinc/29/89/81/137298981.db2.gz CKJWQKQELSRHKB-UHFFFAOYSA-N 2 2 251.330 0.972 20 0 CCADLP C[C@H](CS(C)(=O)=O)[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000346973922 137313591 /nfs/dbraw/zinc/31/35/91/137313591.db2.gz INHZDYZOMBZYSO-NEPJUHHUSA-N 2 2 274.430 0.884 20 0 CCADLP C[C@H](CS(C)(=O)=O)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000346973922 137313592 /nfs/dbraw/zinc/31/35/92/137313592.db2.gz INHZDYZOMBZYSO-NEPJUHHUSA-N 2 2 274.430 0.884 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cnn(CCOC)c2)C1 ZINC000347004039 137315098 /nfs/dbraw/zinc/31/50/98/137315098.db2.gz MWCFEVHOLASIED-CYBMUJFWSA-N 2 2 266.389 0.961 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cnn(CCOC)c2)C1 ZINC000347004039 137315099 /nfs/dbraw/zinc/31/50/99/137315099.db2.gz MWCFEVHOLASIED-CYBMUJFWSA-N 2 2 266.389 0.961 20 0 CCADLP Cc1ncc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c(=O)[nH]1 ZINC000346807798 137305431 /nfs/dbraw/zinc/30/54/31/137305431.db2.gz MJEJBOHZSBWVPY-BXKDBHETSA-N 2 2 250.346 0.920 20 0 CCADLP Cc1ncc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c(=O)[nH]1 ZINC000346807798 137305432 /nfs/dbraw/zinc/30/54/32/137305432.db2.gz MJEJBOHZSBWVPY-BXKDBHETSA-N 2 2 250.346 0.920 20 0 CCADLP CCOC(=O)[C@@H]([NH2+]CCn1cc[nH+]c1)[C@@H]1CCCOC1 ZINC000347600011 137345106 /nfs/dbraw/zinc/34/51/06/137345106.db2.gz ZGBXPTTWEHXRNT-OLZOCXBDSA-N 2 2 281.356 0.831 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[NH+]2C)CCO1 ZINC000347661789 137348685 /nfs/dbraw/zinc/34/86/85/137348685.db2.gz KENPCCACGSLPCG-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[NH+]2C)CCO1 ZINC000347661789 137348686 /nfs/dbraw/zinc/34/86/86/137348686.db2.gz KENPCCACGSLPCG-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP CC[C@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@@H+]2C)CCO1 ZINC000347661789 137348687 /nfs/dbraw/zinc/34/86/87/137348687.db2.gz KENPCCACGSLPCG-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP CC[C@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@H+]2C)CCO1 ZINC000347661789 137348688 /nfs/dbraw/zinc/34/86/88/137348688.db2.gz KENPCCACGSLPCG-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP CCN(CC)[C@@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000062980210 348674261 /nfs/dbraw/zinc/67/42/61/348674261.db2.gz FTJNEKHOFAZFRO-CQSZACIVSA-N 2 2 282.432 0.224 20 0 CCADLP CCN(CC)[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000062980210 348674263 /nfs/dbraw/zinc/67/42/63/348674263.db2.gz FTJNEKHOFAZFRO-CQSZACIVSA-N 2 2 282.432 0.224 20 0 CCADLP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000063179957 348681634 /nfs/dbraw/zinc/68/16/34/348681634.db2.gz CZGHJDCKESQXRG-NSHDSACASA-N 2 2 293.371 0.234 20 0 CCADLP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000063179957 348681639 /nfs/dbraw/zinc/68/16/39/348681639.db2.gz CZGHJDCKESQXRG-NSHDSACASA-N 2 2 293.371 0.234 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063190345 348682753 /nfs/dbraw/zinc/68/27/53/348682753.db2.gz DYQLKISUACKJJB-LSDHHAIUSA-N 2 2 267.417 0.925 20 0 CCADLP CCn1cc([C@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)cn1 ZINC000068801222 348822241 /nfs/dbraw/zinc/82/22/41/348822241.db2.gz WTGKZCTVLBAAOY-JSGCOSHPSA-N 2 2 265.405 0.799 20 0 CCADLP CCn1cc([C@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cn1 ZINC000068801222 348822243 /nfs/dbraw/zinc/82/22/43/348822243.db2.gz WTGKZCTVLBAAOY-JSGCOSHPSA-N 2 2 265.405 0.799 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]Cc2cccc(C(N)=O)c2)n1C ZINC000070143055 348873220 /nfs/dbraw/zinc/87/32/20/348873220.db2.gz METQCXUNDQZWQV-UHFFFAOYSA-N 2 2 287.367 0.875 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000070149976 348873835 /nfs/dbraw/zinc/87/38/35/348873835.db2.gz WVWVFZDBDMSRAB-NSHDSACASA-N 2 2 284.404 0.814 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000070149976 348873837 /nfs/dbraw/zinc/87/38/37/348873837.db2.gz WVWVFZDBDMSRAB-NSHDSACASA-N 2 2 284.404 0.814 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000070174068 348876527 /nfs/dbraw/zinc/87/65/27/348876527.db2.gz LNOJSUFUJWKJDE-NXEZZACHSA-N 2 2 268.361 0.034 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000070174068 348876530 /nfs/dbraw/zinc/87/65/30/348876530.db2.gz LNOJSUFUJWKJDE-NXEZZACHSA-N 2 2 268.361 0.034 20 0 CCADLP Cc1cc(NC(=O)C[NH+]2CCC(CC[NH3+])CC2)on1 ZINC000070188452 348877412 /nfs/dbraw/zinc/87/74/12/348877412.db2.gz WVVNBXICWHNCBU-UHFFFAOYSA-N 2 2 266.345 0.982 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000070252847 348881137 /nfs/dbraw/zinc/88/11/37/348881137.db2.gz OBZKIXDFNNINNA-NWDGAFQWSA-N 2 2 262.357 0.778 20 0 CCADLP CC(C)(CNC(=O)[C@@H]1CC12CC[NH2+]CC2)[NH+]1CCOCC1 ZINC000070255145 348882322 /nfs/dbraw/zinc/88/23/22/348882322.db2.gz SMGZKDNKEAVHIG-ZDUSSCGKSA-N 2 2 295.427 0.603 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000072823815 348934792 /nfs/dbraw/zinc/93/47/92/348934792.db2.gz DRBNFBGDXJHXQK-CHWSQXEVSA-N 2 2 298.431 0.884 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000072823815 348934795 /nfs/dbraw/zinc/93/47/95/348934795.db2.gz DRBNFBGDXJHXQK-CHWSQXEVSA-N 2 2 298.431 0.884 20 0 CCADLP Cc1n[nH]cc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000070983904 348901847 /nfs/dbraw/zinc/90/18/47/348901847.db2.gz CHODLRXZWYNYNA-UHFFFAOYSA-N 2 2 293.415 0.816 20 0 CCADLP Cc1n[nH]cc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000070983904 348901849 /nfs/dbraw/zinc/90/18/49/348901849.db2.gz CHODLRXZWYNYNA-UHFFFAOYSA-N 2 2 293.415 0.816 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000071147333 348904898 /nfs/dbraw/zinc/90/48/98/348904898.db2.gz RIAUWZWJLGAGDJ-NSHDSACASA-N 2 2 282.388 0.296 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000071147333 348904901 /nfs/dbraw/zinc/90/49/01/348904901.db2.gz RIAUWZWJLGAGDJ-NSHDSACASA-N 2 2 282.388 0.296 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H](C)[C@@H]2C)CC1 ZINC000339561509 215243104 /nfs/dbraw/zinc/24/31/04/215243104.db2.gz DWBJLLPWHJZAJZ-AVGNSLFASA-N 2 2 253.390 0.879 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@H](C)[C@@H]2C)CC1 ZINC000339561509 215243105 /nfs/dbraw/zinc/24/31/05/215243105.db2.gz DWBJLLPWHJZAJZ-AVGNSLFASA-N 2 2 253.390 0.879 20 0 CCADLP CC[NH+]1CCC([N@H+](C)CC(=O)NCC2CC2)CC1 ZINC000077250009 349104396 /nfs/dbraw/zinc/10/43/96/349104396.db2.gz QNFNMHWDTRBREF-UHFFFAOYSA-N 2 2 253.390 0.929 20 0 CCADLP CC[NH+]1CCC([N@@H+](C)CC(=O)NCC2CC2)CC1 ZINC000077250009 349104399 /nfs/dbraw/zinc/10/43/99/349104399.db2.gz QNFNMHWDTRBREF-UHFFFAOYSA-N 2 2 253.390 0.929 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCOCC2)[C@H](C)C1 ZINC000079461668 349178066 /nfs/dbraw/zinc/17/80/66/349178066.db2.gz VKGUBMAJZAZGGC-ZIAGYGMSSA-N 2 2 283.416 0.507 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCOCC2)[C@H](C)C1 ZINC000079461668 349178070 /nfs/dbraw/zinc/17/80/70/349178070.db2.gz VKGUBMAJZAZGGC-ZIAGYGMSSA-N 2 2 283.416 0.507 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCOCC2)[C@H](C)C1 ZINC000079461668 349178073 /nfs/dbraw/zinc/17/80/73/349178073.db2.gz VKGUBMAJZAZGGC-ZIAGYGMSSA-N 2 2 283.416 0.507 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCOCC2)[C@H](C)C1 ZINC000079461668 349178078 /nfs/dbraw/zinc/17/80/78/349178078.db2.gz VKGUBMAJZAZGGC-ZIAGYGMSSA-N 2 2 283.416 0.507 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000081248023 349252427 /nfs/dbraw/zinc/25/24/27/349252427.db2.gz PBBNVYOQIKRUJF-ZDUSSCGKSA-N 2 2 292.383 0.209 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000081248023 349252429 /nfs/dbraw/zinc/25/24/29/349252429.db2.gz PBBNVYOQIKRUJF-ZDUSSCGKSA-N 2 2 292.383 0.209 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000081365860 349260408 /nfs/dbraw/zinc/26/04/08/349260408.db2.gz UFDGUTXBNAOVRI-CYBMUJFWSA-N 2 2 262.357 0.970 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081634150 349278593 /nfs/dbraw/zinc/27/85/93/349278593.db2.gz NGIWRICYZOHPEE-DGCLKSJQSA-N 2 2 296.415 0.494 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081634150 349278596 /nfs/dbraw/zinc/27/85/96/349278596.db2.gz NGIWRICYZOHPEE-DGCLKSJQSA-N 2 2 296.415 0.494 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081634150 349278599 /nfs/dbraw/zinc/27/85/99/349278599.db2.gz NGIWRICYZOHPEE-DGCLKSJQSA-N 2 2 296.415 0.494 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081634150 349278602 /nfs/dbraw/zinc/27/86/02/349278602.db2.gz NGIWRICYZOHPEE-DGCLKSJQSA-N 2 2 296.415 0.494 20 0 CCADLP CN(C)c1nc(N2CCC[N@H+](CCO)CC2)cc[nH+]1 ZINC000085432331 349333710 /nfs/dbraw/zinc/33/37/10/349333710.db2.gz GIPRPFJSBSSQKQ-UHFFFAOYSA-N 2 2 265.361 0.047 20 0 CCADLP CN(C)c1nc(N2CCC[N@@H+](CCO)CC2)cc[nH+]1 ZINC000085432331 349333714 /nfs/dbraw/zinc/33/37/14/349333714.db2.gz GIPRPFJSBSSQKQ-UHFFFAOYSA-N 2 2 265.361 0.047 20 0 CCADLP CCn1c[nH+]cc1CN1CC[NH+](CC(C)(C)O)CC1 ZINC000090235896 349429609 /nfs/dbraw/zinc/42/96/09/349429609.db2.gz QTQYWZIPNIBKAV-UHFFFAOYSA-N 2 2 266.389 0.792 20 0 CCADLP C[N@@H+]1CCN(C(=O)c2ccc3c(c2)CCC3)[C@H](C[NH3+])C1 ZINC000120778415 350005222 /nfs/dbraw/zinc/00/52/22/350005222.db2.gz NUKGIOWBIYPGGQ-OAHLLOKOSA-N 2 2 273.380 0.890 20 0 CCADLP C[N@H+]1CCN(C(=O)c2ccc3c(c2)CCC3)[C@H](C[NH3+])C1 ZINC000120778415 350005224 /nfs/dbraw/zinc/00/52/24/350005224.db2.gz NUKGIOWBIYPGGQ-OAHLLOKOSA-N 2 2 273.380 0.890 20 0 CCADLP C[C@@H](C(=O)NCCc1c[nH+]cn1C)[NH+]1CCSCC1 ZINC000121265977 350030486 /nfs/dbraw/zinc/03/04/86/350030486.db2.gz OAVGHIWRGXTWEE-NSHDSACASA-N 2 2 282.413 0.516 20 0 CCADLP C[C@H]1C[C@@H]([NH+](C)CC(=O)NCC2CC2)CC[N@@H+]1C ZINC000123857738 350084584 /nfs/dbraw/zinc/08/45/84/350084584.db2.gz QOMAXTWKNYTTIK-AAEUAGOBSA-N 2 2 253.390 0.927 20 0 CCADLP C[C@H]1C[C@@H]([NH+](C)CC(=O)NCC2CC2)CC[N@H+]1C ZINC000123857738 350084585 /nfs/dbraw/zinc/08/45/85/350084585.db2.gz QOMAXTWKNYTTIK-AAEUAGOBSA-N 2 2 253.390 0.927 20 0 CCADLP C[C@H]1C[C@@H]([N@H+](C)CC(=O)NCC2CC2)CC[NH+]1C ZINC000123857738 350084586 /nfs/dbraw/zinc/08/45/86/350084586.db2.gz QOMAXTWKNYTTIK-AAEUAGOBSA-N 2 2 253.390 0.927 20 0 CCADLP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)NCC2CC2)CC[NH+]1C ZINC000123857738 350084587 /nfs/dbraw/zinc/08/45/87/350084587.db2.gz QOMAXTWKNYTTIK-AAEUAGOBSA-N 2 2 253.390 0.927 20 0 CCADLP C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000124222487 350091843 /nfs/dbraw/zinc/09/18/43/350091843.db2.gz XJWRERQWAKDAQT-CABCVRRESA-N 2 2 297.443 0.776 20 0 CCADLP C[C@@H](O)C[C@@H]1CCCCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000124222487 350091846 /nfs/dbraw/zinc/09/18/46/350091846.db2.gz XJWRERQWAKDAQT-CABCVRRESA-N 2 2 297.443 0.776 20 0 CCADLP Cc1ccc(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1C ZINC000124323084 350095308 /nfs/dbraw/zinc/09/53/08/350095308.db2.gz ZYITZIFGVDTHJG-OAHLLOKOSA-N 2 2 275.396 0.947 20 0 CCADLP Cc1ccc(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1C ZINC000124323084 350095311 /nfs/dbraw/zinc/09/53/11/350095311.db2.gz ZYITZIFGVDTHJG-OAHLLOKOSA-N 2 2 275.396 0.947 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@H]2COc3ccccc3C2)[C@@H](C[NH3+])C1 ZINC000124329894 350095640 /nfs/dbraw/zinc/09/56/40/350095640.db2.gz HTTZBXOJNWAIEZ-KGLIPLIRSA-N 2 2 289.379 0.339 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]2COc3ccccc3C2)[C@@H](C[NH3+])C1 ZINC000124329894 350095643 /nfs/dbraw/zinc/09/56/43/350095643.db2.gz HTTZBXOJNWAIEZ-KGLIPLIRSA-N 2 2 289.379 0.339 20 0 CCADLP CC[NH+]1CCN(C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000128709830 350197742 /nfs/dbraw/zinc/19/77/42/350197742.db2.gz JXOXNGXLNZKHFJ-UHFFFAOYSA-N 2 2 298.431 0.446 20 0 CCADLP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129220781 350208247 /nfs/dbraw/zinc/20/82/47/350208247.db2.gz NJARVZYQZUCQOC-LSDHHAIUSA-N 2 2 297.443 0.945 20 0 CCADLP CCCCNC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129220781 350208250 /nfs/dbraw/zinc/20/82/50/350208250.db2.gz NJARVZYQZUCQOC-LSDHHAIUSA-N 2 2 297.443 0.945 20 0 CCADLP COC(=O)CCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129377582 350213040 /nfs/dbraw/zinc/21/30/40/350213040.db2.gz CLOOMBQUHBMJFN-ZDUSSCGKSA-N 2 2 270.373 0.594 20 0 CCADLP COC(=O)CCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129377582 350213042 /nfs/dbraw/zinc/21/30/42/350213042.db2.gz CLOOMBQUHBMJFN-ZDUSSCGKSA-N 2 2 270.373 0.594 20 0 CCADLP C[NH+](C)CCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000133937629 350348696 /nfs/dbraw/zinc/34/86/96/350348696.db2.gz FEOZJQZNDZSGLT-GFCCVEGCSA-N 2 2 277.372 0.521 20 0 CCADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000106289907 186107198 /nfs/dbraw/zinc/10/71/98/186107198.db2.gz MKRZROSKOSXNSE-ZDUSSCGKSA-N 2 2 291.399 0.159 20 0 CCADLP CC(C)[C@H](CNC(=O)C1([NH3+])CCC1)[NH+]1CCN(C)CC1 ZINC000148078403 350472053 /nfs/dbraw/zinc/47/20/53/350472053.db2.gz IGLLASUJQQEIHH-ZDUSSCGKSA-N 2 2 282.432 0.256 20 0 CCADLP OC1(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CCOCC1 ZINC000153472882 350559279 /nfs/dbraw/zinc/55/92/79/350559279.db2.gz BJYAZQFSBUJWKT-CQSZACIVSA-N 2 2 284.400 0.182 20 0 CCADLP OC1(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CCOCC1 ZINC000153472882 350559284 /nfs/dbraw/zinc/55/92/84/350559284.db2.gz BJYAZQFSBUJWKT-CQSZACIVSA-N 2 2 284.400 0.182 20 0 CCADLP CCC[NH+]1CCC([N@H+](C)CCNS(=O)(=O)CC)CC1 ZINC000109788846 186272048 /nfs/dbraw/zinc/27/20/48/186272048.db2.gz DBYSVGGBTMFZDK-UHFFFAOYSA-N 2 2 291.461 0.732 20 0 CCADLP CCC[NH+]1CCC([N@@H+](C)CCNS(=O)(=O)CC)CC1 ZINC000109788846 186272050 /nfs/dbraw/zinc/27/20/50/186272050.db2.gz DBYSVGGBTMFZDK-UHFFFAOYSA-N 2 2 291.461 0.732 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C2CC2)CC1)[C@@H]1CCSC1 ZINC000155087026 350610346 /nfs/dbraw/zinc/61/03/46/350610346.db2.gz GBHSYMXABUJTPF-CYBMUJFWSA-N 2 2 283.441 0.730 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C2CC2)CC1)[C@@H]1CCSC1 ZINC000155087026 350610347 /nfs/dbraw/zinc/61/03/47/350610347.db2.gz GBHSYMXABUJTPF-CYBMUJFWSA-N 2 2 283.441 0.730 20 0 CCADLP CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CC[NH+](C3CC3)CC2)C1(C)C ZINC000156986998 350637716 /nfs/dbraw/zinc/63/77/16/350637716.db2.gz VMVMYHPPADRMIE-XJKSGUPXSA-N 2 2 295.427 0.826 20 0 CCADLP C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000573850534 334971619 /nfs/dbraw/zinc/97/16/19/334971619.db2.gz RWQJHWWXNLYHOT-SWLSCSKDSA-N 2 2 294.399 0.264 20 0 CCADLP C[C@@H]([NH3+])C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000167967373 350817610 /nfs/dbraw/zinc/81/76/10/350817610.db2.gz LRCAWCBGSHSCLJ-OCCSQVGLSA-N 2 2 277.368 0.211 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@H]([NH3+])CCSC)CC1 ZINC000164474193 350779628 /nfs/dbraw/zinc/77/96/28/350779628.db2.gz JKJKDUNWLSQYDI-GFCCVEGCSA-N 2 2 289.445 0.248 20 0 CCADLP C[NH+](C)CCn1ccc(NC(=O)[C@@H]2CSC[NH2+]2)n1 ZINC000166731653 350801539 /nfs/dbraw/zinc/80/15/39/350801539.db2.gz LGBKQTCOGFMHCP-VIFPVBQESA-N 2 2 269.374 0.046 20 0 CCADLP C[NH+](C)Cc1cc(CNC(=O)[C@@H]2COCC[NH2+]2)ccc1F ZINC000168813984 350831549 /nfs/dbraw/zinc/83/15/49/350831549.db2.gz QUIOHZDMTKIPNY-AWEZNQCLSA-N 2 2 295.358 0.492 20 0 CCADLP O=C(NCCC[NH+]1CCOCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000170249737 350843489 /nfs/dbraw/zinc/84/34/89/350843489.db2.gz PVNBGHGCVNYDRW-CYBMUJFWSA-N 2 2 292.383 0.284 20 0 CCADLP Cc1cccn2cc(CNC(=O)[C@H]3C[N@H+](C)CCO3)[nH+]c12 ZINC000172795713 351010884 /nfs/dbraw/zinc/01/08/84/351010884.db2.gz OYWBNIBOSDPJAV-CYBMUJFWSA-N 2 2 288.351 0.590 20 0 CCADLP Cc1cccn2cc(CNC(=O)[C@H]3C[N@@H+](C)CCO3)[nH+]c12 ZINC000172795713 351010887 /nfs/dbraw/zinc/01/08/87/351010887.db2.gz OYWBNIBOSDPJAV-CYBMUJFWSA-N 2 2 288.351 0.590 20 0 CCADLP COc1cc[nH+]c(Cn2cc(CSCC[NH3+])nn2)c1 ZINC000603217263 363003997 /nfs/dbraw/zinc/00/39/97/363003997.db2.gz BKCLCOBDAZIFDW-UHFFFAOYSA-N 2 2 279.369 0.922 20 0 CCADLP [NH3+]CCSCc1cn(CCCn2cc[nH+]c2)nn1 ZINC000603221143 363006556 /nfs/dbraw/zinc/00/65/56/363006556.db2.gz DBXIKQZHKUDIGF-UHFFFAOYSA-N 2 2 266.374 0.757 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000174475586 351087778 /nfs/dbraw/zinc/08/77/78/351087778.db2.gz TUOPXJSRVVCYSK-AWEZNQCLSA-N 2 2 283.416 0.650 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000174475586 351087779 /nfs/dbraw/zinc/08/77/79/351087779.db2.gz TUOPXJSRVVCYSK-AWEZNQCLSA-N 2 2 283.416 0.650 20 0 CCADLP COCCCNC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000177058601 351192473 /nfs/dbraw/zinc/19/24/73/351192473.db2.gz DRNHYLWZWCWJFK-CHWSQXEVSA-N 2 2 271.405 0.554 20 0 CCADLP COCCCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000177058601 351192476 /nfs/dbraw/zinc/19/24/76/351192476.db2.gz DRNHYLWZWCWJFK-CHWSQXEVSA-N 2 2 271.405 0.554 20 0 CCADLP COCCCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177058601 351192477 /nfs/dbraw/zinc/19/24/77/351192477.db2.gz DRNHYLWZWCWJFK-CHWSQXEVSA-N 2 2 271.405 0.554 20 0 CCADLP COCCCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000177058601 351192480 /nfs/dbraw/zinc/19/24/80/351192480.db2.gz DRNHYLWZWCWJFK-CHWSQXEVSA-N 2 2 271.405 0.554 20 0 CCADLP CN(CC[NH+](C)C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000176145400 351158630 /nfs/dbraw/zinc/15/86/30/351158630.db2.gz HBTRNFFAXJMXIU-UHFFFAOYSA-N 2 2 286.420 0.300 20 0 CCADLP CC(C)[C@@H]([NH2+]Cc1c[nH+]cn1C)C(=O)N1CCOCC1 ZINC000176803625 351184865 /nfs/dbraw/zinc/18/48/65/351184865.db2.gz CXXDYDJPMFWVQD-CYBMUJFWSA-N 2 2 280.372 0.393 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000178670880 351239257 /nfs/dbraw/zinc/23/92/57/351239257.db2.gz ZJGLUTZHJPASII-QLFBSQMISA-N 3 2 296.459 0.469 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000178670880 351239259 /nfs/dbraw/zinc/23/92/59/351239259.db2.gz ZJGLUTZHJPASII-QLFBSQMISA-N 3 2 296.459 0.469 20 0 CCADLP CSCC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000178745005 351243755 /nfs/dbraw/zinc/24/37/55/351243755.db2.gz DCJOPZFOBSKGHD-LLVKDONJSA-N 2 2 289.445 0.294 20 0 CCADLP CSCC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000178745005 351243757 /nfs/dbraw/zinc/24/37/57/351243757.db2.gz DCJOPZFOBSKGHD-LLVKDONJSA-N 2 2 289.445 0.294 20 0 CCADLP O=C1C[C@@H]([NH2+]C2CCCC2)CN1CC[NH+]1CCOCC1 ZINC000178903117 351252674 /nfs/dbraw/zinc/25/26/74/351252674.db2.gz AZOOVVFMAKUOAA-CQSZACIVSA-N 2 2 281.400 0.452 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@H]2CCCO2)CC1 ZINC000177149877 351196029 /nfs/dbraw/zinc/19/60/29/351196029.db2.gz IYHXBRDYBMAVCN-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181035640 351300247 /nfs/dbraw/zinc/30/02/47/351300247.db2.gz RACUZVNJKSKARS-RRFJBIMHSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H](CC1CC1)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181046881 351300994 /nfs/dbraw/zinc/30/09/94/351300994.db2.gz UAOIXWTZIDQTSG-UKRRQHHQSA-N 2 2 295.427 0.698 20 0 CCADLP CC[C@H]1C[C@@H](C)C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000336507361 213382629 /nfs/dbraw/zinc/38/26/29/213382629.db2.gz ONYDPDQKCABLMO-OLZOCXBDSA-N 2 2 253.390 0.881 20 0 CCADLP CC[C@H]1C[C@@H](C)C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000336507361 213382632 /nfs/dbraw/zinc/38/26/32/213382632.db2.gz ONYDPDQKCABLMO-OLZOCXBDSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000186810343 351517069 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CCADLP COC(=O)COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000218990345 351963639 /nfs/dbraw/zinc/96/36/39/351963639.db2.gz HAQJNXANDPVFBM-GFCCVEGCSA-N 2 2 264.325 0.771 20 0 CCADLP COC(=O)COc1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000218990345 351963641 /nfs/dbraw/zinc/96/36/41/351963641.db2.gz HAQJNXANDPVFBM-GFCCVEGCSA-N 2 2 264.325 0.771 20 0 CCADLP CNS(=O)(=O)CCC[N@H+](CC[NH3+])CCc1ccccc1 ZINC000339889133 215382026 /nfs/dbraw/zinc/38/20/26/215382026.db2.gz APYVLOOSVGTHFR-UHFFFAOYSA-N 2 2 299.440 0.429 20 0 CCADLP CNS(=O)(=O)CCC[N@@H+](CC[NH3+])CCc1ccccc1 ZINC000339889133 215382029 /nfs/dbraw/zinc/38/20/29/215382029.db2.gz APYVLOOSVGTHFR-UHFFFAOYSA-N 2 2 299.440 0.429 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)no1 ZINC000228080238 352067336 /nfs/dbraw/zinc/06/73/36/352067336.db2.gz TZRCMEDHASKFCV-PSASIEDQSA-N 2 2 252.318 0.591 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)no1 ZINC000228080238 352067338 /nfs/dbraw/zinc/06/73/38/352067338.db2.gz TZRCMEDHASKFCV-PSASIEDQSA-N 2 2 252.318 0.591 20 0 CCADLP Cc1ccc([C@H]([NH3+])C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000228091161 352068229 /nfs/dbraw/zinc/06/82/29/352068229.db2.gz FCPYOIVYGUJBOV-AWEZNQCLSA-N 2 2 277.368 0.443 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCOCC(F)F ZINC000235129332 352180508 /nfs/dbraw/zinc/18/05/08/352180508.db2.gz VRQCLRZTGCGZIB-VHSXEESVSA-N 2 2 252.305 0.625 20 0 CCADLP C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H](C[NH3+])C1 ZINC000235323138 352181686 /nfs/dbraw/zinc/18/16/86/352181686.db2.gz YOSPKDRPMUANAT-NEPJUHHUSA-N 2 2 250.346 0.859 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000237066159 352240442 /nfs/dbraw/zinc/24/04/42/352240442.db2.gz PIMSPLMRDZGDEL-JTQLQIEISA-N 2 2 266.370 0.426 20 0 CCADLP CCCc1nc(C)c(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)o1 ZINC000603431799 363131527 /nfs/dbraw/zinc/13/15/27/363131527.db2.gz ZCGSXKZXJKVMJB-NWDGAFQWSA-N 2 2 292.383 0.679 20 0 CCADLP C[NH+](C)C1(C[NH2+]CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000418117727 234008558 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20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000245534969 352327164 /nfs/dbraw/zinc/32/71/64/352327164.db2.gz YXQDZJWEDJWUAH-QWHCGFSZSA-N 2 2 290.367 0.107 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000245534969 352327166 /nfs/dbraw/zinc/32/71/66/352327166.db2.gz YXQDZJWEDJWUAH-QWHCGFSZSA-N 2 2 290.367 0.107 20 0 CCADLP C[N@@H+]1CCN(C(=O)C[C@@H]2OCc3ccccc32)[C@H](C[NH3+])C1 ZINC000655419020 412564294 /nfs/dbraw/zinc/56/42/94/412564294.db2.gz JMNVPIVTENRTMD-HIFRSBDPSA-N 2 2 289.379 0.749 20 0 CCADLP C[N@H+]1CCN(C(=O)C[C@@H]2OCc3ccccc32)[C@H](C[NH3+])C1 ZINC000655419020 412564298 /nfs/dbraw/zinc/56/42/98/412564298.db2.gz JMNVPIVTENRTMD-HIFRSBDPSA-N 2 2 289.379 0.749 20 0 CCADLP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000246519982 352371741 /nfs/dbraw/zinc/37/17/41/352371741.db2.gz ITZBWQOCKVRQTB-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000246519982 352371745 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CC(C)NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248123390 352431155 /nfs/dbraw/zinc/43/11/55/352431155.db2.gz NPMBQLVGEDIRPF-STQMWFEESA-N 2 2 253.390 0.927 20 0 CCADLP CSC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000249429897 352491195 /nfs/dbraw/zinc/49/11/95/352491195.db2.gz GTJXTOTZKMXVBU-STQMWFEESA-N 2 2 274.430 0.364 20 0 CCADLP CSC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000249429897 352491199 /nfs/dbraw/zinc/49/11/99/352491199.db2.gz GTJXTOTZKMXVBU-STQMWFEESA-N 2 2 274.430 0.364 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@H]2CSc3ccccc32)[C@H](C[NH3+])C1 ZINC000250359089 352504216 /nfs/dbraw/zinc/50/42/16/352504216.db2.gz BJPFGRYHTUJAKY-YPMHNXCESA-N 2 2 291.420 0.977 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]2CSc3ccccc32)[C@H](C[NH3+])C1 ZINC000250359089 352504219 /nfs/dbraw/zinc/50/42/19/352504219.db2.gz BJPFGRYHTUJAKY-YPMHNXCESA-N 2 2 291.420 0.977 20 0 CCADLP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCS(=O)(=O)C2)CC1(C)C ZINC000251150699 352509502 /nfs/dbraw/zinc/50/95/02/352509502.db2.gz LCSBBRCBDKAHPH-MNOVXSKESA-N 2 2 260.403 0.636 20 0 CCADLP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCS(=O)(=O)C2)CC1(C)C ZINC000251150699 352509505 /nfs/dbraw/zinc/50/95/05/352509505.db2.gz LCSBBRCBDKAHPH-MNOVXSKESA-N 2 2 260.403 0.636 20 0 CCADLP C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252952409 352527199 /nfs/dbraw/zinc/52/71/99/352527199.db2.gz PQASESRYVPIOAX-IWSPIJDZSA-N 2 2 267.295 0.723 20 0 CCADLP C[C@H](C(=O)NCC(F)(F)F)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252952409 352527201 /nfs/dbraw/zinc/52/72/01/352527201.db2.gz PQASESRYVPIOAX-IWSPIJDZSA-N 2 2 267.295 0.723 20 0 CCADLP C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261877737 352564331 /nfs/dbraw/zinc/56/43/31/352564331.db2.gz ZXWDPVOLJANRRC-STQMWFEESA-N 2 2 282.432 0.269 20 0 CCADLP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000262019192 352569316 /nfs/dbraw/zinc/56/93/16/352569316.db2.gz WJYRDIPHWIYWEP-KFWWJZLASA-N 3 2 278.400 0.938 20 0 CCADLP Cc1nc([C@H]2CCC[N@@H+]2CCC(=O)N2CC[NH2+]CC2)no1 ZINC000262029752 352570956 /nfs/dbraw/zinc/57/09/56/352570956.db2.gz GUIBKKWBSIXLDD-GFCCVEGCSA-N 2 2 293.371 0.337 20 0 CCADLP Cc1nc([C@H]2CCC[N@H+]2CCC(=O)N2CC[NH2+]CC2)no1 ZINC000262029752 352570959 /nfs/dbraw/zinc/57/09/59/352570959.db2.gz GUIBKKWBSIXLDD-GFCCVEGCSA-N 2 2 293.371 0.337 20 0 CCADLP C[N@H+](CCO)C1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262043213 352573094 /nfs/dbraw/zinc/57/30/94/352573094.db2.gz PJIDTWDSJAWNQW-AWEZNQCLSA-N 3 2 255.406 0.375 20 0 CCADLP C[N@@H+](CCO)C1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262043213 352573097 /nfs/dbraw/zinc/57/30/97/352573097.db2.gz PJIDTWDSJAWNQW-AWEZNQCLSA-N 3 2 255.406 0.375 20 0 CCADLP C[C@H](C[NH3+])NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000418524595 234152567 /nfs/dbraw/zinc/15/25/67/234152567.db2.gz NEOJDNUIEIBFPL-ZYHUDNBSSA-N 2 2 264.329 0.592 20 0 CCADLP C[C@H](CNC(=O)/C=C/C[NH+](C)C)Cn1cc[nH+]c1 ZINC000267003142 352737917 /nfs/dbraw/zinc/73/79/17/352737917.db2.gz AEXFCSYRAFNWQT-ZYOFXKKJSA-N 2 2 250.346 0.753 20 0 CCADLP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000418724912 234217098 /nfs/dbraw/zinc/21/70/98/234217098.db2.gz NOECZNJICJVZLD-GMXVVIOVSA-N 2 2 278.356 0.980 20 0 CCADLP COCc1ccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)o1 ZINC000269809920 352876972 /nfs/dbraw/zinc/87/69/72/352876972.db2.gz MCWNYXHDSGXNJL-CYBMUJFWSA-N 2 2 256.346 0.828 20 0 CCADLP C[NH+]1CCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000270088376 352902731 /nfs/dbraw/zinc/90/27/31/352902731.db2.gz STPYUULRMRKTKN-ZDUSSCGKSA-N 2 2 289.383 0.617 20 0 CCADLP Cc1cc(C)c(CNC(=O)C(=O)N2CCC[C@H]2C[NH3+])c[nH+]1 ZINC000418890992 234253089 /nfs/dbraw/zinc/25/30/89/234253089.db2.gz SVSPEXQBVNBRBT-ZDUSSCGKSA-N 2 2 290.367 0.264 20 0 CCADLP CNC(=O)[C@@H]1CCC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000270887980 352999283 /nfs/dbraw/zinc/99/92/83/352999283.db2.gz ONGKGWTXKVWDLE-GFCCVEGCSA-N 2 2 250.346 0.650 20 0 CCADLP CNC(=O)[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000270887980 352999286 /nfs/dbraw/zinc/99/92/86/352999286.db2.gz ONGKGWTXKVWDLE-GFCCVEGCSA-N 2 2 250.346 0.650 20 0 CCADLP C[N@@H+](CC(=O)NCc1cccnc1)C[C@@H]1CCC[NH+](C)C1 ZINC000152337135 188011090 /nfs/dbraw/zinc/01/10/90/188011090.db2.gz VIRDTJVRLWJXGN-OAHLLOKOSA-N 2 2 290.411 0.971 20 0 CCADLP C[N@H+](CC(=O)NCc1cccnc1)C[C@@H]1CCC[NH+](C)C1 ZINC000152337135 188011092 /nfs/dbraw/zinc/01/10/92/188011092.db2.gz VIRDTJVRLWJXGN-OAHLLOKOSA-N 2 2 290.411 0.971 20 0 CCADLP C[NH+](CC(=O)NCc1cccnc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152337135 188011093 /nfs/dbraw/zinc/01/10/93/188011093.db2.gz VIRDTJVRLWJXGN-OAHLLOKOSA-N 2 2 290.411 0.971 20 0 CCADLP C[NH+](CC(=O)NCc1cccnc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152337135 188011094 /nfs/dbraw/zinc/01/10/94/188011094.db2.gz VIRDTJVRLWJXGN-OAHLLOKOSA-N 2 2 290.411 0.971 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000269234361 535206375 /nfs/dbraw/zinc/20/63/75/535206375.db2.gz GBRIAOAQUPUDOK-GFCCVEGCSA-N 2 2 250.346 0.819 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000275114536 353186128 /nfs/dbraw/zinc/18/61/28/353186128.db2.gz SKEOBEOFGFASOQ-CHWSQXEVSA-N 2 2 279.388 0.865 20 0 CCADLP C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[N@@H+]1CC(C)(C)O ZINC000275695679 353206369 /nfs/dbraw/zinc/20/63/69/353206369.db2.gz UOIBQBKNBUOSAA-ZDUSSCGKSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[N@H+]1CC(C)(C)O ZINC000275695679 353206371 /nfs/dbraw/zinc/20/63/71/353206371.db2.gz UOIBQBKNBUOSAA-ZDUSSCGKSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000276939099 353212003 /nfs/dbraw/zinc/21/20/03/353212003.db2.gz BPTJEILETFJAMY-VHSXEESVSA-N 2 2 250.346 0.819 20 0 CCADLP CC[NH+](CC)CCNC(=O)N(C)Cc1[nH+]ccn1C ZINC000271678608 191272676 /nfs/dbraw/zinc/27/26/76/191272676.db2.gz HWXIRCSCXYYWHC-UHFFFAOYSA-N 2 2 267.377 0.903 20 0 CCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000655449448 412575912 /nfs/dbraw/zinc/57/59/12/412575912.db2.gz GVVCZMXFBZCFPK-DGCLKSJQSA-N 2 2 274.368 0.798 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+](Cc2ccccn2)CC1)[C@H](C)[NH3+] ZINC000156553394 188268914 /nfs/dbraw/zinc/26/89/14/188268914.db2.gz AFFCKTSPFBBGHU-OLZOCXBDSA-N 2 2 276.384 0.709 20 0 CCADLP CCC[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655450049 412577599 /nfs/dbraw/zinc/57/75/99/412577599.db2.gz AXAKCGSADDDXGT-NSHDSACASA-N 2 2 250.346 0.561 20 0 CCADLP C[N@@H+](CC(N)=O)C[C@@H]1CN(c2cc[nH+]cc2Cl)CCO1 ZINC000282215197 353404216 /nfs/dbraw/zinc/40/42/16/353404216.db2.gz JRQWZUDQDQVMDY-SNVBAGLBSA-N 2 2 298.774 0.357 20 0 CCADLP C[N@H+](CC(N)=O)C[C@@H]1CN(c2cc[nH+]cc2Cl)CCO1 ZINC000282215197 353404219 /nfs/dbraw/zinc/40/42/19/353404219.db2.gz JRQWZUDQDQVMDY-SNVBAGLBSA-N 2 2 298.774 0.357 20 0 CCADLP C[C@@H](CCC[NH3+])NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655463971 412582813 /nfs/dbraw/zinc/58/28/13/412582813.db2.gz BQPBXHZTCMKFAH-WDEREUQCSA-N 2 2 250.346 0.689 20 0 CCADLP C[C@@H]([NH2+]C1CC1)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000296599275 353953171 /nfs/dbraw/zinc/95/31/71/353953171.db2.gz YHLIHTKYCQMBQC-SNVBAGLBSA-N 2 2 262.357 0.904 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000301643795 354079478 /nfs/dbraw/zinc/07/94/78/354079478.db2.gz OXXXACBSHDBDDR-GFCCVEGCSA-N 2 2 275.418 0.094 20 0 CCADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000301643795 354079480 /nfs/dbraw/zinc/07/94/80/354079480.db2.gz OXXXACBSHDBDDR-GFCCVEGCSA-N 2 2 275.418 0.094 20 0 CCADLP C[N@H+]1CCN(C(=O)Nc2nc3c(s2)CCC3)[C@H](C[NH3+])C1 ZINC000556947311 291017738 /nfs/dbraw/zinc/01/77/38/291017738.db2.gz CIRDYKJAZRXGJM-SECBINFHSA-N 2 2 295.412 0.738 20 0 CCADLP CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)C[NH+]1CCOCC1 ZINC000304313279 354112423 /nfs/dbraw/zinc/11/24/23/354112423.db2.gz NCPRTONEOCXURF-HOTGVXAUSA-N 2 2 299.459 0.486 20 0 CCADLP CC(C)(CC[NH3+])NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655480239 412586806 /nfs/dbraw/zinc/58/68/06/412586806.db2.gz SZEORCWFMMRHIR-SNVBAGLBSA-N 2 2 250.346 0.689 20 0 CCADLP Cc1nc(N(C)CC2([NH+](C)C)CCC2)nc(N)[nH+]1 ZINC000306115495 354171902 /nfs/dbraw/zinc/17/19/02/354171902.db2.gz WACBWTOKRHPTMQ-UHFFFAOYSA-N 2 2 250.350 0.683 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc([S@@](C)=O)cc1 ZINC000305238229 354140871 /nfs/dbraw/zinc/14/08/71/354140871.db2.gz ZOALRIGBWIHETN-AUUYWEPGSA-N 2 2 284.425 0.826 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)CCSC ZINC000309251235 354186934 /nfs/dbraw/zinc/18/69/34/354186934.db2.gz NDOIBXYWPUSEBF-NSHDSACASA-N 2 2 250.408 0.220 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)CCSC ZINC000309251235 354186938 /nfs/dbraw/zinc/18/69/38/354186938.db2.gz NDOIBXYWPUSEBF-NSHDSACASA-N 2 2 250.408 0.220 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)CCSC ZINC000309251235 354186941 /nfs/dbraw/zinc/18/69/41/354186941.db2.gz NDOIBXYWPUSEBF-NSHDSACASA-N 2 2 250.408 0.220 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)CCSC ZINC000309251235 354186944 /nfs/dbraw/zinc/18/69/44/354186944.db2.gz NDOIBXYWPUSEBF-NSHDSACASA-N 2 2 250.408 0.220 20 0 CCADLP C[N@@H+](Cc1cc2c(c(Cl)c1)OCO2)C[C@@H](O)C[NH3+] ZINC000310953848 354194618 /nfs/dbraw/zinc/19/46/18/354194618.db2.gz MSXHIYCKHGVESB-VIFPVBQESA-N 2 2 272.732 0.820 20 0 CCADLP C[N@H+](Cc1cc2c(c(Cl)c1)OCO2)C[C@@H](O)C[NH3+] ZINC000310953848 354194621 /nfs/dbraw/zinc/19/46/21/354194621.db2.gz MSXHIYCKHGVESB-VIFPVBQESA-N 2 2 272.732 0.820 20 0 CCADLP O[C@H](C[NH2+]C[C@H](O)C(F)(F)F)C[NH+]1CCCCC1 ZINC000311064322 354197165 /nfs/dbraw/zinc/19/71/65/354197165.db2.gz SZMBFJCFQPJOKT-ZJUUUORDSA-N 2 2 270.295 0.346 20 0 CCADLP C[C@H]1[C@@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)CCS1(=O)=O ZINC000312105582 354206593 /nfs/dbraw/zinc/20/65/93/354206593.db2.gz WQBBQNRTLGZXGP-ONGXEEELSA-N 2 2 286.401 0.151 20 0 CCADLP C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313338457 354213183 /nfs/dbraw/zinc/21/31/83/354213183.db2.gz JWZJCTADLUTPIN-CHWSQXEVSA-N 2 2 269.389 0.437 20 0 CCADLP C[C@@H]1CCCCN1C(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313338457 354213187 /nfs/dbraw/zinc/21/31/87/354213187.db2.gz JWZJCTADLUTPIN-CHWSQXEVSA-N 2 2 269.389 0.437 20 0 CCADLP CC(C)(C)[C@H](O)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000330365715 354328327 /nfs/dbraw/zinc/32/83/27/354328327.db2.gz PZWBYSLIKQFSAB-GFCCVEGCSA-N 2 2 266.389 0.934 20 0 CCADLP C[NH+]1CCC(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC000330415860 354350166 /nfs/dbraw/zinc/35/01/66/354350166.db2.gz WYHNRXOJWLDBPN-UHFFFAOYSA-N 2 2 250.346 0.731 20 0 CCADLP C[C@H](NC(=O)[C@@H]1[NH2+]CCCC1(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000423386425 299216938 /nfs/dbraw/zinc/21/69/38/299216938.db2.gz RVKOVDXSKGRPMX-IHRRRGAJSA-N 2 2 297.443 0.990 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1[NH2+]CC1(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488357 412591542 /nfs/dbraw/zinc/59/15/42/412591542.db2.gz XJTMYQHVTNOPPP-RVMXOQNASA-N 2 2 283.416 0.598 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1[NH2+]CC1(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488357 412591545 /nfs/dbraw/zinc/59/15/45/412591545.db2.gz XJTMYQHVTNOPPP-RVMXOQNASA-N 2 2 283.416 0.598 20 0 CCADLP OC1(C[NH+]2CCOCC2)CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000332241794 354634007 /nfs/dbraw/zinc/63/40/07/354634007.db2.gz AKFAFJHQLWGOPC-UHFFFAOYSA-N 3 2 294.399 0.042 20 0 CCADLP O[C@]1(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CCOC1 ZINC000332327281 354646967 /nfs/dbraw/zinc/64/69/67/354646967.db2.gz XUFVZHAJTQDCMJ-INIZCTEOSA-N 2 2 291.395 0.787 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000332543705 354693378 /nfs/dbraw/zinc/69/33/78/354693378.db2.gz FCBGQPHYALYNNH-LBPRGKRZSA-N 2 2 280.372 0.419 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NC[C@@H]1CCCO1 ZINC000333719193 354781804 /nfs/dbraw/zinc/78/18/04/354781804.db2.gz UGPBGZXQBYAZIZ-ZFWWWQNUSA-N 2 2 281.400 0.357 20 0 CCADLP O=C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NC[C@@H]1CCCO1 ZINC000333719193 354781807 /nfs/dbraw/zinc/78/18/07/354781807.db2.gz UGPBGZXQBYAZIZ-ZFWWWQNUSA-N 2 2 281.400 0.357 20 0 CCADLP O=C(N[C@@H]1CCC[NH2+]C1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000333735174 354785681 /nfs/dbraw/zinc/78/56/81/354785681.db2.gz WUTLLMVACHKXDK-ZIAGYGMSSA-N 2 2 296.415 0.245 20 0 CCADLP Cc1nc(NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc[nH+]1 ZINC000608082242 363400212 /nfs/dbraw/zinc/40/02/12/363400212.db2.gz SFOCPOCSLZXSOD-LBPRGKRZSA-N 2 2 277.372 0.206 20 0 CCADLP Cc1nc(NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc[nH+]1 ZINC000608082242 363400217 /nfs/dbraw/zinc/40/02/17/363400217.db2.gz SFOCPOCSLZXSOD-LBPRGKRZSA-N 2 2 277.372 0.206 20 0 CCADLP O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)NC[C@H]1CCCO1 ZINC000333819952 354800269 /nfs/dbraw/zinc/80/02/69/354800269.db2.gz HIRFYBUGJKFRPX-RRFJBIMHSA-N 2 2 295.427 0.746 20 0 CCADLP O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)NC[C@H]1CCCO1 ZINC000333819952 354800272 /nfs/dbraw/zinc/80/02/72/354800272.db2.gz HIRFYBUGJKFRPX-RRFJBIMHSA-N 2 2 295.427 0.746 20 0 CCADLP C[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)[C@H]1CCC[NH2+]1 ZINC000333799198 354796711 /nfs/dbraw/zinc/79/67/11/354796711.db2.gz HLFLQORFKQEICS-QJPTWQEYSA-N 2 2 275.418 0.141 20 0 CCADLP Cc1nc(NC[C@H]2C[N@H+](CC(C)C)CCO2)cc[nH+]1 ZINC000608078284 363398557 /nfs/dbraw/zinc/39/85/57/363398557.db2.gz RFIHEULOFQEIQR-ZDUSSCGKSA-N 2 2 264.373 0.976 20 0 CCADLP Cc1nc(NC[C@H]2C[N@@H+](CC(C)C)CCO2)cc[nH+]1 ZINC000608078284 363398560 /nfs/dbraw/zinc/39/85/60/363398560.db2.gz RFIHEULOFQEIQR-ZDUSSCGKSA-N 2 2 264.373 0.976 20 0 CCADLP CCC(C)(C)[NH+]1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000655495199 412596910 /nfs/dbraw/zinc/59/69/10/412596910.db2.gz LHDLYGFQGCTMCY-CYBMUJFWSA-N 3 2 284.448 0.598 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000334058455 354846679 /nfs/dbraw/zinc/84/66/79/354846679.db2.gz XFXZNFJWLONESO-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH+]1CC[C@@H](NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000334058455 354846683 /nfs/dbraw/zinc/84/66/83/354846683.db2.gz XFXZNFJWLONESO-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH+]1CC[C@@H](NC(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000334058455 354846687 /nfs/dbraw/zinc/84/66/87/354846687.db2.gz XFXZNFJWLONESO-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP c1ccc(N2CC[NH+](CCNC3=[NH+]CCCN3)CC2)cc1 ZINC000557788548 291044773 /nfs/dbraw/zinc/04/47/73/291044773.db2.gz NCUICOMUZQWBKC-UHFFFAOYSA-N 2 2 287.411 0.748 20 0 CCADLP C[C@]1(C[NH3+])CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000423604519 235017761 /nfs/dbraw/zinc/01/77/61/235017761.db2.gz GGOVWRXQDOGNQP-GDBMZVCRSA-N 2 2 295.427 0.685 20 0 CCADLP C[C@]1(C[NH3+])CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000423604519 235017765 /nfs/dbraw/zinc/01/77/65/235017765.db2.gz GGOVWRXQDOGNQP-GDBMZVCRSA-N 2 2 295.427 0.685 20 0 CCADLP Cc1cc(NC(=O)C[NH+](C)C)ccc1NC(=O)C[NH+](C)C ZINC000619324500 366235398 /nfs/dbraw/zinc/23/53/98/366235398.db2.gz PXRVIKKKKBLTJK-UHFFFAOYSA-N 2 2 292.383 0.995 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000684619795 545715922 /nfs/dbraw/zinc/71/59/22/545715922.db2.gz PJQQIUNGQAJGNB-ZDUSSCGKSA-N 2 2 277.372 0.324 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000684619795 545715927 /nfs/dbraw/zinc/71/59/27/545715927.db2.gz PJQQIUNGQAJGNB-ZDUSSCGKSA-N 2 2 277.372 0.324 20 0 CCADLP C[C@@H](C(=O)N1CCC[N@H+](C)CC1)[NH+]1CCSCC1 ZINC000336404067 355115256 /nfs/dbraw/zinc/11/52/56/355115256.db2.gz VHRWSZARLJDRGD-LBPRGKRZSA-N 2 2 271.430 0.588 20 0 CCADLP C[C@@H](C(=O)N1CCC[N@@H+](C)CC1)[NH+]1CCSCC1 ZINC000336404067 355115260 /nfs/dbraw/zinc/11/52/60/355115260.db2.gz VHRWSZARLJDRGD-LBPRGKRZSA-N 2 2 271.430 0.588 20 0 CCADLP C[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000336498810 355116346 /nfs/dbraw/zinc/11/63/46/355116346.db2.gz MYHJCTNFEJAICV-VHSXEESVSA-N 2 2 261.316 0.394 20 0 CCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000336498810 355116348 /nfs/dbraw/zinc/11/63/48/355116348.db2.gz MYHJCTNFEJAICV-VHSXEESVSA-N 2 2 261.316 0.394 20 0 CCADLP C[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@H]1CCS(=O)(=O)C1 ZINC000336689473 355136418 /nfs/dbraw/zinc/13/64/18/355136418.db2.gz BRYHOEGQHISMHE-OLZOCXBDSA-N 2 2 274.430 0.837 20 0 CCADLP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@H]1CCS(=O)(=O)C1 ZINC000336689473 355136421 /nfs/dbraw/zinc/13/64/21/355136421.db2.gz BRYHOEGQHISMHE-OLZOCXBDSA-N 2 2 274.430 0.837 20 0 CCADLP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@H]1CCS(=O)(=O)C1 ZINC000336689473 355136424 /nfs/dbraw/zinc/13/64/24/355136424.db2.gz BRYHOEGQHISMHE-OLZOCXBDSA-N 2 2 274.430 0.837 20 0 CCADLP C[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@H]1CCS(=O)(=O)C1 ZINC000336689473 355136426 /nfs/dbraw/zinc/13/64/26/355136426.db2.gz BRYHOEGQHISMHE-OLZOCXBDSA-N 2 2 274.430 0.837 20 0 CCADLP Nc1ccc(NC(=O)c2cn[nH]c2[C@H]2CCC[NH2+]C2)c[nH+]1 ZINC000424079291 235148692 /nfs/dbraw/zinc/14/86/92/235148692.db2.gz RBBAMFPYRBWMLB-VIFPVBQESA-N 2 2 286.339 0.937 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H](n2cccn2)C1)C1CC1 ZINC000336843004 355213140 /nfs/dbraw/zinc/21/31/40/355213140.db2.gz VWYYYVPUZUMTAI-GJZGRUSLSA-N 2 2 278.400 0.975 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H](n2cccn2)C1)C1CC1 ZINC000336843004 355213146 /nfs/dbraw/zinc/21/31/46/355213146.db2.gz VWYYYVPUZUMTAI-GJZGRUSLSA-N 2 2 278.400 0.975 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H](n2cccn2)C1)C1CC1 ZINC000336843004 355213152 /nfs/dbraw/zinc/21/31/52/355213152.db2.gz VWYYYVPUZUMTAI-GJZGRUSLSA-N 2 2 278.400 0.975 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H](n2cccn2)C1)C1CC1 ZINC000336843004 355213160 /nfs/dbraw/zinc/21/31/60/355213160.db2.gz VWYYYVPUZUMTAI-GJZGRUSLSA-N 2 2 278.400 0.975 20 0 CCADLP NS(=O)(=O)CCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000336799191 355173212 /nfs/dbraw/zinc/17/32/12/355173212.db2.gz HRWSNHDIHTVKTF-GFCCVEGCSA-N 2 2 285.369 0.213 20 0 CCADLP NS(=O)(=O)CCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000336799191 355173215 /nfs/dbraw/zinc/17/32/15/355173215.db2.gz HRWSNHDIHTVKTF-GFCCVEGCSA-N 2 2 285.369 0.213 20 0 CCADLP Cc1noc(C[N@H+](C)CCCN2CC[NH+](C)CC2)n1 ZINC000336801058 355175452 /nfs/dbraw/zinc/17/54/52/355175452.db2.gz ORYMSJKUBGWBNU-UHFFFAOYSA-N 2 2 267.377 0.447 20 0 CCADLP Cc1noc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)n1 ZINC000336801058 355175456 /nfs/dbraw/zinc/17/54/56/355175456.db2.gz ORYMSJKUBGWBNU-UHFFFAOYSA-N 2 2 267.377 0.447 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)C1CC1 ZINC000336814347 355189319 /nfs/dbraw/zinc/18/93/19/355189319.db2.gz FKTZWQKDTXFWCH-ZFWWWQNUSA-N 3 2 269.433 0.715 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1)C1CC1 ZINC000336814347 355189322 /nfs/dbraw/zinc/18/93/22/355189322.db2.gz FKTZWQKDTXFWCH-ZFWWWQNUSA-N 3 2 269.433 0.715 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C[C@H]1CCC[NH+](C)C1 ZINC000336814347 355189325 /nfs/dbraw/zinc/18/93/25/355189325.db2.gz FKTZWQKDTXFWCH-ZFWWWQNUSA-N 3 2 269.433 0.715 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C[C@H]1CCC[NH+](C)C1 ZINC000336814347 355189327 /nfs/dbraw/zinc/18/93/27/355189327.db2.gz FKTZWQKDTXFWCH-ZFWWWQNUSA-N 3 2 269.433 0.715 20 0 CCADLP COC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336819354 355193017 /nfs/dbraw/zinc/19/30/17/355193017.db2.gz ZJXQLJOPJMPWER-YPMHNXCESA-N 2 2 270.373 0.327 20 0 CCADLP COC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336819354 355193019 /nfs/dbraw/zinc/19/30/19/355193019.db2.gz ZJXQLJOPJMPWER-YPMHNXCESA-N 2 2 270.373 0.327 20 0 CCADLP COC(=O)[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000336819354 355193021 /nfs/dbraw/zinc/19/30/21/355193021.db2.gz ZJXQLJOPJMPWER-YPMHNXCESA-N 2 2 270.373 0.327 20 0 CCADLP COC(=O)[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336819354 355193023 /nfs/dbraw/zinc/19/30/23/355193023.db2.gz ZJXQLJOPJMPWER-YPMHNXCESA-N 2 2 270.373 0.327 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000336822319 355196131 /nfs/dbraw/zinc/19/61/31/355196131.db2.gz LEQNSXNSSHFIHP-HNNXBMFYSA-N 2 2 278.400 0.846 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000336822319 355196134 /nfs/dbraw/zinc/19/61/34/355196134.db2.gz LEQNSXNSSHFIHP-HNNXBMFYSA-N 2 2 278.400 0.846 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000336822319 355196138 /nfs/dbraw/zinc/19/61/38/355196138.db2.gz LEQNSXNSSHFIHP-HNNXBMFYSA-N 3 2 278.400 0.846 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000336822319 355196141 /nfs/dbraw/zinc/19/61/41/355196141.db2.gz LEQNSXNSSHFIHP-HNNXBMFYSA-N 3 2 278.400 0.846 20 0 CCADLP CN(CCC[NH+]1CCCC1)C[C@H](O)C[NH+]1CCOCC1 ZINC000336824416 355198976 /nfs/dbraw/zinc/19/89/76/355198976.db2.gz UQYLKOZCBQAAQZ-HNNXBMFYSA-N 2 2 285.432 0.097 20 0 CCADLP Cc1ccc(CNC(=O)C[N@H+](C)C[C@H](O)C[NH3+])cc1F ZINC000336829292 355204178 /nfs/dbraw/zinc/20/41/78/355204178.db2.gz CGDOBNWJEHDCCF-GFCCVEGCSA-N 2 2 283.347 0.002 20 0 CCADLP Cc1ccc(CNC(=O)C[N@@H+](C)C[C@H](O)C[NH3+])cc1F ZINC000336829292 355204180 /nfs/dbraw/zinc/20/41/80/355204180.db2.gz CGDOBNWJEHDCCF-GFCCVEGCSA-N 2 2 283.347 0.002 20 0 CCADLP C[C@@H]1CN(c2cc[nH+]c(N3CCOCC3)n2)C[C@@H](C)[NH+]1C ZINC000338786669 355419977 /nfs/dbraw/zinc/41/99/77/355419977.db2.gz OVURRTFYSCZAAQ-CHWSQXEVSA-N 2 2 291.399 0.842 20 0 CCADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)CCc1c[nH+]cn1C ZINC000339165033 355497988 /nfs/dbraw/zinc/49/79/88/355497988.db2.gz PFVFLCQACBQWGM-CYBMUJFWSA-N 2 2 294.399 0.580 20 0 CCADLP OC[C@]1([C@H]([NH2+]CCn2cc[nH+]c2)C2CC2)CCCO1 ZINC000339765660 355505118 /nfs/dbraw/zinc/50/51/18/355505118.db2.gz YGZDXBZLNPIVKC-KGLIPLIRSA-N 2 2 265.357 0.793 20 0 CCADLP C[C@H](CC(=O)N[C@@H](C[NH3+])C(F)(F)F)n1cc[nH+]c1 ZINC000655519797 412611045 /nfs/dbraw/zinc/61/10/45/412611045.db2.gz XRFKAZJOTQJMCQ-SFYZADRCSA-N 2 2 264.251 0.840 20 0 CCADLP C[NH+](C)CC1CC[NH+](CC(=O)NCC(F)(F)F)CC1 ZINC000341178681 355623556 /nfs/dbraw/zinc/62/35/56/355623556.db2.gz WHKZZWYLPKSBFX-UHFFFAOYSA-N 2 2 281.322 0.939 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000341639231 355709271 /nfs/dbraw/zinc/70/92/71/355709271.db2.gz NEEKOXIKKHFUJM-OLZOCXBDSA-N 2 2 269.389 0.117 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000341639231 355709272 /nfs/dbraw/zinc/70/92/72/355709272.db2.gz NEEKOXIKKHFUJM-OLZOCXBDSA-N 2 2 269.389 0.117 20 0 CCADLP COCCC[NH+]1CCC([NH2+][C@@H](C)CS(C)(=O)=O)CC1 ZINC000341706052 355719797 /nfs/dbraw/zinc/71/97/97/355719797.db2.gz GCWDPOOARLZXDA-LBPRGKRZSA-N 2 2 292.445 0.510 20 0 CCADLP COc1cc[nH+]c(CN2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000426486657 235337822 /nfs/dbraw/zinc/33/78/22/235337822.db2.gz MNFRGNGTVUUMPU-GFCCVEGCSA-N 2 2 265.357 0.589 20 0 CCADLP COc1cc[nH+]c(CN2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000426486657 235337823 /nfs/dbraw/zinc/33/78/23/235337823.db2.gz MNFRGNGTVUUMPU-GFCCVEGCSA-N 2 2 265.357 0.589 20 0 CCADLP C[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@H]1C)[NH+]1CCOCC1 ZINC000341713096 355721091 /nfs/dbraw/zinc/72/10/91/355721091.db2.gz YYYXXTKXXZEBGI-UPJWGTAASA-N 2 2 269.389 0.021 20 0 CCADLP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)[NH+]1CCOCC1 ZINC000341713096 355721092 /nfs/dbraw/zinc/72/10/92/355721092.db2.gz YYYXXTKXXZEBGI-UPJWGTAASA-N 2 2 269.389 0.021 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+]CCC(=O)N(C)C)CC1 ZINC000342783721 355745864 /nfs/dbraw/zinc/74/58/64/355745864.db2.gz PXTVPFMTZVMJAC-UHFFFAOYSA-N 2 2 299.415 0.472 20 0 CCADLP Cn1cc(C[NH+]2CCN(C(=O)C[C@H]3CC[NH2+]C3)CC2)cn1 ZINC000427273480 235357713 /nfs/dbraw/zinc/35/77/13/235357713.db2.gz MFOCLKSAZJMTQX-CYBMUJFWSA-N 2 2 291.399 0.064 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(Cc2[nH+]cc(C)n2C)CC1 ZINC000342792224 355747971 /nfs/dbraw/zinc/74/79/71/355747971.db2.gz PQPXYZUQASMTNG-ZDUSSCGKSA-N 2 2 266.389 0.617 20 0 CCADLP C[C@@H](C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC000343479334 355771125 /nfs/dbraw/zinc/77/11/25/355771125.db2.gz QRLIBHIBJFCORM-ZFWWWQNUSA-N 2 2 281.400 0.309 20 0 CCADLP CC[N@@H+]1C[C@H](C)N(C(=O)NCC[NH+]2CCOCC2)C[C@H]1C ZINC000345398772 355815986 /nfs/dbraw/zinc/81/59/86/355815986.db2.gz SWSMGGONXBLSKW-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP CC[N@H+]1C[C@H](C)N(C(=O)NCC[NH+]2CCOCC2)C[C@H]1C ZINC000345398772 355815989 /nfs/dbraw/zinc/81/59/89/355815989.db2.gz SWSMGGONXBLSKW-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)NCc1cccnc1 ZINC000428036562 235391774 /nfs/dbraw/zinc/39/17/74/235391774.db2.gz RLNFXWRNUPQLLQ-ZIAGYGMSSA-N 2 2 274.368 0.382 20 0 CCADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)NCc1cccnc1 ZINC000428036562 235391777 /nfs/dbraw/zinc/39/17/77/235391777.db2.gz RLNFXWRNUPQLLQ-ZIAGYGMSSA-N 2 2 274.368 0.382 20 0 CCADLP OC[C@@H](O)C[N@H+](CCC(F)(F)F)C[C@H]1CCC[NH2+]C1 ZINC000346994284 355875279 /nfs/dbraw/zinc/87/52/79/355875279.db2.gz WLLASAGHYGTXDP-QWRGUYRKSA-N 2 2 284.322 0.594 20 0 CCADLP OC[C@@H](O)C[N@@H+](CCC(F)(F)F)C[C@H]1CCC[NH2+]C1 ZINC000346994284 355875282 /nfs/dbraw/zinc/87/52/82/355875282.db2.gz WLLASAGHYGTXDP-QWRGUYRKSA-N 2 2 284.322 0.594 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCC[C@H]2OC(F)F)CC1 ZINC000348523215 355943021 /nfs/dbraw/zinc/94/30/21/355943021.db2.gz CGBBAPSDNUJNHD-WDEREUQCSA-N 2 2 291.342 0.510 20 0 CCADLP CC[N@@H+]1CCN(CC[NH+]2CCO[C@H](C)C2)[C@H](C)C1 ZINC000352689258 356055025 /nfs/dbraw/zinc/05/50/25/356055025.db2.gz CYMFHHSHYPANQO-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP CC[N@H+]1CCN(CC[NH+]2CCO[C@H](C)C2)[C@H](C)C1 ZINC000352689258 356055029 /nfs/dbraw/zinc/05/50/29/356055029.db2.gz CYMFHHSHYPANQO-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP CC[NH+]1CCN(CC[N@@H+]2CCO[C@H](C)C2)[C@H](C)C1 ZINC000352689258 356055034 /nfs/dbraw/zinc/05/50/34/356055034.db2.gz CYMFHHSHYPANQO-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP CC[NH+]1CCN(CC[N@H+]2CCO[C@H](C)C2)[C@H](C)C1 ZINC000352689258 356055037 /nfs/dbraw/zinc/05/50/37/356055037.db2.gz CYMFHHSHYPANQO-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP CCCN(CC[NH+]1CCCC1)C[C@@H](O)C[NH+]1CCOCC1 ZINC000352889011 356103778 /nfs/dbraw/zinc/10/37/78/356103778.db2.gz RVLRBKHLIBYERA-MRXNPFEDSA-N 2 2 299.459 0.487 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000353463652 356228593 /nfs/dbraw/zinc/22/85/93/356228593.db2.gz WBSKSDLYNLMZBC-AWEZNQCLSA-N 2 2 293.367 0.431 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)N1CCC[N@H+](CC(=O)NCC)CC1 ZINC000353471452 356231746 /nfs/dbraw/zinc/23/17/46/356231746.db2.gz NPJLTYLKCKSVGI-HNNXBMFYSA-N 2 2 298.431 0.174 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)N1CCC[N@@H+](CC(=O)NCC)CC1 ZINC000353471452 356231748 /nfs/dbraw/zinc/23/17/48/356231748.db2.gz NPJLTYLKCKSVGI-HNNXBMFYSA-N 2 2 298.431 0.174 20 0 CCADLP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000360814210 138011729 /nfs/dbraw/zinc/01/17/29/138011729.db2.gz AXAKFYDQSDOTKU-KOLCDFICSA-N 2 2 273.327 0.584 20 0 CCADLP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000360814210 138011730 /nfs/dbraw/zinc/01/17/30/138011730.db2.gz AXAKFYDQSDOTKU-KOLCDFICSA-N 2 2 273.327 0.584 20 0 CCADLP Cc1nccc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)n1 ZINC000361314461 138028900 /nfs/dbraw/zinc/02/89/00/138028900.db2.gz FGSAXOOZQBNJMJ-UHFFFAOYSA-N 2 2 272.356 0.841 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+](CCNS(C)(=O)=O)C1CC1 ZINC000361382947 138033530 /nfs/dbraw/zinc/03/35/30/138033530.db2.gz YMQCAAADZRTLKA-UHFFFAOYSA-N 2 2 286.401 0.205 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+](CCNS(C)(=O)=O)C1CC1 ZINC000361382947 138033531 /nfs/dbraw/zinc/03/35/31/138033531.db2.gz YMQCAAADZRTLKA-UHFFFAOYSA-N 2 2 286.401 0.205 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000361108285 138021744 /nfs/dbraw/zinc/02/17/44/138021744.db2.gz JZAUZIOZZBXRPU-ZIAGYGMSSA-N 3 2 282.432 0.080 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000361108285 138021745 /nfs/dbraw/zinc/02/17/45/138021745.db2.gz JZAUZIOZZBXRPU-ZIAGYGMSSA-N 3 2 282.432 0.080 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCN1CCC[NH+](C)CC1 ZINC000361173554 138024426 /nfs/dbraw/zinc/02/44/26/138024426.db2.gz JAMYWPPRADOYRK-HUUCEWRRSA-N 3 2 268.449 0.554 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCN1CCC[NH+](C)CC1 ZINC000361173554 138024427 /nfs/dbraw/zinc/02/44/27/138024427.db2.gz JAMYWPPRADOYRK-HUUCEWRRSA-N 3 2 268.449 0.554 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000361173554 138024428 /nfs/dbraw/zinc/02/44/28/138024428.db2.gz JAMYWPPRADOYRK-HUUCEWRRSA-N 3 2 268.449 0.554 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000361173554 138024429 /nfs/dbraw/zinc/02/44/29/138024429.db2.gz JAMYWPPRADOYRK-HUUCEWRRSA-N 3 2 268.449 0.554 20 0 CCADLP CO[C@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C(C)C ZINC000353929796 356316480 /nfs/dbraw/zinc/31/64/80/356316480.db2.gz FSRPMJAAGNIDGD-AWEZNQCLSA-N 2 2 285.432 0.800 20 0 CCADLP CNC(=O)C[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000361887779 138037240 /nfs/dbraw/zinc/03/72/40/138037240.db2.gz FUOFABQWBCEFFF-RYUDHWBXSA-N 2 2 257.378 0.069 20 0 CCADLP CNC(=O)C[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000361887778 138037298 /nfs/dbraw/zinc/03/72/98/138037298.db2.gz FUOFABQWBCEFFF-NWDGAFQWSA-N 2 2 257.378 0.069 20 0 CCADLP CC(C)[C@H]1CN(C(=O)NC[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC000362838078 138076649 /nfs/dbraw/zinc/07/66/49/138076649.db2.gz BJMOUULCPFKXBN-ZIAGYGMSSA-N 2 2 298.431 0.299 20 0 CCADLP CC(C)[C@H]1CN(C(=O)NC[C@@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC000362838078 138076650 /nfs/dbraw/zinc/07/66/50/138076650.db2.gz BJMOUULCPFKXBN-ZIAGYGMSSA-N 2 2 298.431 0.299 20 0 CCADLP CC(C)[C@H]1CN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC000362838078 138076651 /nfs/dbraw/zinc/07/66/51/138076651.db2.gz BJMOUULCPFKXBN-ZIAGYGMSSA-N 2 2 298.431 0.299 20 0 CCADLP CC(C)[C@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC000362838078 138076652 /nfs/dbraw/zinc/07/66/52/138076652.db2.gz BJMOUULCPFKXBN-ZIAGYGMSSA-N 2 2 298.431 0.299 20 0 CCADLP C[C@H](C(=O)N1CC[C@H](C[NH+](C)C)C1)[NH+]1CCOCC1 ZINC000354948946 356535160 /nfs/dbraw/zinc/53/51/60/356535160.db2.gz BREJVRZXTPZJRG-CHWSQXEVSA-N 2 2 269.389 0.117 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC1CC[NH+](C)CC1 ZINC000433995213 295925215 /nfs/dbraw/zinc/92/52/15/295925215.db2.gz SQCOENFALFDQIN-ZDUSSCGKSA-N 2 2 298.431 0.443 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000355070960 356566768 /nfs/dbraw/zinc/56/67/68/356566768.db2.gz NNVHXUHKVDCPLB-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000355070960 356566771 /nfs/dbraw/zinc/56/67/71/356566771.db2.gz NNVHXUHKVDCPLB-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000355070960 356566772 /nfs/dbraw/zinc/56/67/72/356566772.db2.gz NNVHXUHKVDCPLB-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000355070960 356566774 /nfs/dbraw/zinc/56/67/74/356566774.db2.gz NNVHXUHKVDCPLB-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)NC2CC2)CCN1C1CC[NH+](C)CC1 ZINC000355075088 356568485 /nfs/dbraw/zinc/56/84/85/356568485.db2.gz VWYRLZBSKVXJGY-ZDUSSCGKSA-N 2 2 294.443 0.365 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)NC2CC2)CCN1C1CC[NH+](C)CC1 ZINC000355075088 356568492 /nfs/dbraw/zinc/56/84/92/356568492.db2.gz VWYRLZBSKVXJGY-ZDUSSCGKSA-N 2 2 294.443 0.365 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC(=O)NC2CC2)C[C@H]1C ZINC000610133316 363538244 /nfs/dbraw/zinc/53/82/44/363538244.db2.gz DHBIWVRSRANZFB-DGCLKSJQSA-N 2 2 296.415 0.779 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC(=O)NC2CC2)C[C@H]1C ZINC000610133316 363538247 /nfs/dbraw/zinc/53/82/47/363538247.db2.gz DHBIWVRSRANZFB-DGCLKSJQSA-N 2 2 296.415 0.779 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC(=O)NC2CC2)C[C@H]1C ZINC000610133316 363538253 /nfs/dbraw/zinc/53/82/53/363538253.db2.gz DHBIWVRSRANZFB-DGCLKSJQSA-N 2 2 296.415 0.779 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC(=O)NC2CC2)C[C@H]1C ZINC000610133316 363538258 /nfs/dbraw/zinc/53/82/58/363538258.db2.gz DHBIWVRSRANZFB-DGCLKSJQSA-N 2 2 296.415 0.779 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC[N@@H+]1CCO ZINC000355945095 356673599 /nfs/dbraw/zinc/67/35/99/356673599.db2.gz SYPWIWKJAUKTJD-OLZOCXBDSA-N 2 2 292.383 0.286 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC[N@H+]1CCO ZINC000355945095 356673602 /nfs/dbraw/zinc/67/36/02/356673602.db2.gz SYPWIWKJAUKTJD-OLZOCXBDSA-N 2 2 292.383 0.286 20 0 CCADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000355960800 356675943 /nfs/dbraw/zinc/67/59/43/356675943.db2.gz VHOHMYUWWJBHAC-CYBMUJFWSA-N 2 2 285.432 0.630 20 0 CCADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000355960800 356675946 /nfs/dbraw/zinc/67/59/46/356675946.db2.gz VHOHMYUWWJBHAC-CYBMUJFWSA-N 2 2 285.432 0.630 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)[N@H+](C)C1 ZINC000329030911 202160558 /nfs/dbraw/zinc/16/05/58/202160558.db2.gz PPBGBFQHZTVVBJ-AVGNSLFASA-N 2 2 292.383 0.835 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)[N@@H+](C)C1 ZINC000329030911 202160562 /nfs/dbraw/zinc/16/05/62/202160562.db2.gz PPBGBFQHZTVVBJ-AVGNSLFASA-N 2 2 292.383 0.835 20 0 CCADLP COC1(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCC1 ZINC000359268173 356788882 /nfs/dbraw/zinc/78/88/82/356788882.db2.gz UMKOGONAICFRDB-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000359274467 356790885 /nfs/dbraw/zinc/79/08/85/356790885.db2.gz DDOZTBFMUXMREK-UHFFFAOYSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000359274467 356790887 /nfs/dbraw/zinc/79/08/87/356790887.db2.gz DDOZTBFMUXMREK-UHFFFAOYSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[NH+](C)CC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000359274467 356790889 /nfs/dbraw/zinc/79/08/89/356790889.db2.gz DDOZTBFMUXMREK-UHFFFAOYSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[NH+](C)CC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000359274467 356790892 /nfs/dbraw/zinc/79/08/92/356790892.db2.gz DDOZTBFMUXMREK-UHFFFAOYSA-N 2 2 271.405 0.555 20 0 CCADLP c1nc(N2CCOCC2)sc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359476339 356828646 /nfs/dbraw/zinc/82/86/46/356828646.db2.gz UHYBVJSOCMKNBC-VXGBXAGGSA-N 2 2 294.424 0.631 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000359660233 356866610 /nfs/dbraw/zinc/86/66/10/356866610.db2.gz UJHDCBVZPOFVOG-VHSXEESVSA-N 2 2 265.361 0.516 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000359660233 356866613 /nfs/dbraw/zinc/86/66/13/356866613.db2.gz UJHDCBVZPOFVOG-VHSXEESVSA-N 2 2 265.361 0.516 20 0 CCADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@@H]1COCC[NH+]1CC ZINC000359743314 356883031 /nfs/dbraw/zinc/88/30/31/356883031.db2.gz MWYBYAVSEMZZHK-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@@H]1COCC[NH+]1CC ZINC000359743314 356883033 /nfs/dbraw/zinc/88/30/33/356883033.db2.gz MWYBYAVSEMZZHK-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1COCC[N@@H+]1CC ZINC000359743314 356883035 /nfs/dbraw/zinc/88/30/35/356883035.db2.gz MWYBYAVSEMZZHK-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1COCC[N@H+]1CC ZINC000359743314 356883038 /nfs/dbraw/zinc/88/30/38/356883038.db2.gz MWYBYAVSEMZZHK-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000359563168 356845048 /nfs/dbraw/zinc/84/50/48/356845048.db2.gz CHDDAUAJTJBIQM-QWRGUYRKSA-N 2 2 280.372 0.901 20 0 CCADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000359563168 356845050 /nfs/dbraw/zinc/84/50/50/356845050.db2.gz CHDDAUAJTJBIQM-QWRGUYRKSA-N 2 2 280.372 0.901 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(c2cc[nH+]c(N(C)C)n2)[C@H](C)C1 ZINC000359647028 356864093 /nfs/dbraw/zinc/86/40/93/356864093.db2.gz LIDOAZWNVWXITF-VXGBXAGGSA-N 2 2 279.388 0.434 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(c2cc[nH+]c(N(C)C)n2)[C@H](C)C1 ZINC000359647028 356864096 /nfs/dbraw/zinc/86/40/96/356864096.db2.gz LIDOAZWNVWXITF-VXGBXAGGSA-N 2 2 279.388 0.434 20 0 CCADLP C[C@@H](CN1CCCC1=O)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655697445 412645696 /nfs/dbraw/zinc/64/56/96/412645696.db2.gz PTBCPYXOFUQADJ-ZFWWWQNUSA-N 2 2 295.427 0.840 20 0 CCADLP CC[NH+]1CCN([C@H](C)CNc2cc[nH+]c(C)n2)CC1 ZINC000360219903 356972296 /nfs/dbraw/zinc/97/22/96/356972296.db2.gz WXAKEEAKBVXBAH-GFCCVEGCSA-N 2 2 263.389 0.645 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360549251 357039257 /nfs/dbraw/zinc/03/92/57/357039257.db2.gz DZTLGYRQVOUHRT-OAHLLOKOSA-N 2 2 283.416 0.605 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360549251 357039259 /nfs/dbraw/zinc/03/92/59/357039259.db2.gz DZTLGYRQVOUHRT-OAHLLOKOSA-N 2 2 283.416 0.605 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC(F)(F)[C@@H](CO)C1)C1CC1 ZINC000361407990 357047550 /nfs/dbraw/zinc/04/75/50/357047550.db2.gz JJJDPAHTPJTCNZ-PWSUYJOCSA-N 2 2 278.343 0.391 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(F)(F)[C@@H](CO)C1)C1CC1 ZINC000361407990 357047551 /nfs/dbraw/zinc/04/75/51/357047551.db2.gz JJJDPAHTPJTCNZ-PWSUYJOCSA-N 2 2 278.343 0.391 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCC(F)(F)[C@@H](CO)C1)C1CC1 ZINC000361407990 357047553 /nfs/dbraw/zinc/04/75/53/357047553.db2.gz JJJDPAHTPJTCNZ-PWSUYJOCSA-N 2 2 278.343 0.391 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCOC3)C2)CC1 ZINC000364208138 357095848 /nfs/dbraw/zinc/09/58/48/357095848.db2.gz RAZCQWXWCMUUPF-CHWSQXEVSA-N 2 2 281.400 0.308 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CCOC3)C2)CC1 ZINC000364208138 357095850 /nfs/dbraw/zinc/09/58/50/357095850.db2.gz RAZCQWXWCMUUPF-CHWSQXEVSA-N 2 2 281.400 0.308 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3=CCCCO3)C2)CC1 ZINC000365695589 357164145 /nfs/dbraw/zinc/16/41/45/357164145.db2.gz JVXAOAIXVCKBHK-ZDUSSCGKSA-N 2 2 293.411 0.965 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3=CCCCO3)C2)CC1 ZINC000365695589 357164148 /nfs/dbraw/zinc/16/41/48/357164148.db2.gz JVXAOAIXVCKBHK-ZDUSSCGKSA-N 2 2 293.411 0.965 20 0 CCADLP CO[C@@]1(C)CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000366483801 357217233 /nfs/dbraw/zinc/21/72/33/357217233.db2.gz UZSGLZSKJALTON-HNNXBMFYSA-N 2 2 283.416 0.651 20 0 CCADLP CO[C@@]1(C)CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000366483801 357217236 /nfs/dbraw/zinc/21/72/36/357217236.db2.gz UZSGLZSKJALTON-HNNXBMFYSA-N 2 2 283.416 0.651 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366494208 357219161 /nfs/dbraw/zinc/21/91/61/357219161.db2.gz BRQGOFPBYWWPMS-ABAIWWIYSA-N 2 2 294.399 0.391 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366494208 357219163 /nfs/dbraw/zinc/21/91/63/357219163.db2.gz BRQGOFPBYWWPMS-ABAIWWIYSA-N 2 2 294.399 0.391 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366494208 357219168 /nfs/dbraw/zinc/21/91/68/357219168.db2.gz BRQGOFPBYWWPMS-ABAIWWIYSA-N 2 2 294.399 0.391 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366494208 357219171 /nfs/dbraw/zinc/21/91/71/357219171.db2.gz BRQGOFPBYWWPMS-ABAIWWIYSA-N 2 2 294.399 0.391 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@H+](CCC(=O)N3CC[NH+](C)CC3)C2)C1 ZINC000366497902 357219719 /nfs/dbraw/zinc/21/97/19/357219719.db2.gz PMAHIUZQQYOZJB-MRXNPFEDSA-N 3 2 294.443 0.178 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@@H+](CCC(=O)N3CC[NH+](C)CC3)C2)C1 ZINC000366497902 357219724 /nfs/dbraw/zinc/21/97/24/357219724.db2.gz PMAHIUZQQYOZJB-MRXNPFEDSA-N 3 2 294.443 0.178 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)C12CCC[NH+]1CCC2 ZINC000366763108 357235400 /nfs/dbraw/zinc/23/54/00/357235400.db2.gz SQHJLULNSFDDLI-UHFFFAOYSA-N 2 2 281.400 0.405 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CCOC2CCC2)CC1 ZINC000367851663 357285854 /nfs/dbraw/zinc/28/58/54/357285854.db2.gz ZHAXDUYWIHVNCO-HNNXBMFYSA-N 2 2 295.427 0.970 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CCOC2CCC2)CC1 ZINC000367851663 357285859 /nfs/dbraw/zinc/28/58/59/357285859.db2.gz ZHAXDUYWIHVNCO-HNNXBMFYSA-N 2 2 295.427 0.970 20 0 CCADLP CC(C)N1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1=O ZINC000655728984 412652884 /nfs/dbraw/zinc/65/28/84/412652884.db2.gz AYJSJUFYOVAXQJ-GJZGRUSLSA-N 2 2 295.427 0.839 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCO[C@H]3CCC[C@@H]32)CC1 ZINC000376149902 357437478 /nfs/dbraw/zinc/43/74/78/357437478.db2.gz KCLFVNJWDHBUCX-STQMWFEESA-N 2 2 267.373 0.014 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCO[C@H]3CCC[C@@H]32)CC1 ZINC000376149902 357437484 /nfs/dbraw/zinc/43/74/84/357437484.db2.gz KCLFVNJWDHBUCX-STQMWFEESA-N 2 2 267.373 0.014 20 0 CCADLP COC[C@H](C)NC(=[NH2+])NCc1c[nH+]c2n1CCCC2 ZINC000376727009 357496889 /nfs/dbraw/zinc/49/68/89/357496889.db2.gz BVFIGYOZGJFUAT-JTQLQIEISA-N 2 2 265.361 0.868 20 0 CCADLP COC(=O)C[C@@H]1COCC[N@@H+]1CCn1cc[nH+]c1C ZINC000376537530 357478122 /nfs/dbraw/zinc/47/81/22/357478122.db2.gz CGFLBKDPDCHCGA-GFCCVEGCSA-N 2 2 267.329 0.455 20 0 CCADLP COC(=O)C[C@@H]1COCC[N@H+]1CCn1cc[nH+]c1C ZINC000376537530 357478125 /nfs/dbraw/zinc/47/81/25/357478125.db2.gz CGFLBKDPDCHCGA-GFCCVEGCSA-N 2 2 267.329 0.455 20 0 CCADLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccnc(-n2cc[nH+]c2)c1 ZINC000377397543 357570435 /nfs/dbraw/zinc/57/04/35/357570435.db2.gz HJMSAVLGTHKPNA-PJXYFTJBSA-N 2 2 269.308 0.215 20 0 CCADLP COCC[NH+]1CCC([NH2+]C[C@H]2CCCCN2CCO)CC1 ZINC000449395760 236032926 /nfs/dbraw/zinc/03/29/26/236032926.db2.gz QQUKOXDWUNFSGS-MRXNPFEDSA-N 2 2 299.459 0.534 20 0 CCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCC[NH+]3CCOCC3)[C@H]2C1 ZINC000378498795 357686282 /nfs/dbraw/zinc/68/62/82/357686282.db2.gz TXNOWBMQPNJUGF-KGLIPLIRSA-N 2 2 296.415 0.054 20 0 CCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)NCC[NH+]3CCOCC3)[C@H]2C1 ZINC000378498795 357686287 /nfs/dbraw/zinc/68/62/87/357686287.db2.gz TXNOWBMQPNJUGF-KGLIPLIRSA-N 2 2 296.415 0.054 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000389166611 357736084 /nfs/dbraw/zinc/73/60/84/357736084.db2.gz ZPEJQURNPKTTKF-QLFBSQMISA-N 3 2 269.433 0.715 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000389166611 357736086 /nfs/dbraw/zinc/73/60/86/357736086.db2.gz ZPEJQURNPKTTKF-QLFBSQMISA-N 3 2 269.433 0.715 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000389166611 357736087 /nfs/dbraw/zinc/73/60/87/357736087.db2.gz ZPEJQURNPKTTKF-QLFBSQMISA-N 3 2 269.433 0.715 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000389166611 357736089 /nfs/dbraw/zinc/73/60/89/357736089.db2.gz ZPEJQURNPKTTKF-QLFBSQMISA-N 3 2 269.433 0.715 20 0 CCADLP CC[C@@](C)([NH3+])c1cn(CC[NH+]2CCOCC2)nn1 ZINC000395188276 357760409 /nfs/dbraw/zinc/76/04/09/357760409.db2.gz WWFCUXGNGCWMTA-GFCCVEGCSA-N 2 2 253.350 0.194 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCCOC1 ZINC000401677273 357802215 /nfs/dbraw/zinc/80/22/15/357802215.db2.gz TYFQFUUZWDVARX-STQMWFEESA-N 2 2 260.378 0.036 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCCOC1 ZINC000401677273 357802219 /nfs/dbraw/zinc/80/22/19/357802219.db2.gz TYFQFUUZWDVARX-STQMWFEESA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CCCOC1 ZINC000401677273 357802222 /nfs/dbraw/zinc/80/22/22/357802222.db2.gz TYFQFUUZWDVARX-STQMWFEESA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CCCOC1 ZINC000401677273 357802226 /nfs/dbraw/zinc/80/22/26/357802226.db2.gz TYFQFUUZWDVARX-STQMWFEESA-N 2 2 260.378 0.036 20 0 CCADLP COc1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)sn1 ZINC000399226768 357781251 /nfs/dbraw/zinc/78/12/51/357781251.db2.gz XRHNEGTVOPQMDX-SNVBAGLBSA-N 2 2 271.386 0.698 20 0 CCADLP COc1cc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)sn1 ZINC000399226766 357782035 /nfs/dbraw/zinc/78/20/35/357782035.db2.gz XRHNEGTVOPQMDX-JTQLQIEISA-N 2 2 271.386 0.698 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(S(C)(=O)=O)C2)C[N@@H+]1C1CC1 ZINC000400112894 357786396 /nfs/dbraw/zinc/78/63/96/357786396.db2.gz GSEJHGQZPPFBKS-IJLUTSLNSA-N 2 2 287.429 0.235 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(S(C)(=O)=O)C2)C[N@H+]1C1CC1 ZINC000400112894 357786399 /nfs/dbraw/zinc/78/63/99/357786399.db2.gz GSEJHGQZPPFBKS-IJLUTSLNSA-N 2 2 287.429 0.235 20 0 CCADLP CC(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+]1CCOCC1 ZINC000561105222 291116987 /nfs/dbraw/zinc/11/69/87/291116987.db2.gz CKVBWBMKGPWLAW-LSDHHAIUSA-N 2 2 297.443 0.801 20 0 CCADLP CC(C)[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH+]1CCOCC1 ZINC000561105222 291116989 /nfs/dbraw/zinc/11/69/89/291116989.db2.gz CKVBWBMKGPWLAW-LSDHHAIUSA-N 2 2 297.443 0.801 20 0 CCADLP CCC[NH+]1CCC([N@H+](C)CC(=O)NC(=O)NCC)CC1 ZINC000109786796 283318465 /nfs/dbraw/zinc/31/84/65/283318465.db2.gz GHKFSDGRHCGNJT-UHFFFAOYSA-N 2 2 284.404 0.638 20 0 CCADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)NC(=O)NCC)CC1 ZINC000109786796 283318466 /nfs/dbraw/zinc/31/84/66/283318466.db2.gz GHKFSDGRHCGNJT-UHFFFAOYSA-N 2 2 284.404 0.638 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000417429713 358132812 /nfs/dbraw/zinc/13/28/12/358132812.db2.gz VXTDFJLKQPOULU-GFCCVEGCSA-N 2 2 286.420 0.394 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000417429713 358132816 /nfs/dbraw/zinc/13/28/16/358132816.db2.gz VXTDFJLKQPOULU-GFCCVEGCSA-N 2 2 286.420 0.394 20 0 CCADLP CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000375382015 283342166 /nfs/dbraw/zinc/34/21/66/283342166.db2.gz VTLSAGMVYKKHAE-GFCCVEGCSA-N 2 2 254.378 0.426 20 0 CCADLP CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000375382015 283342168 /nfs/dbraw/zinc/34/21/68/283342168.db2.gz VTLSAGMVYKKHAE-GFCCVEGCSA-N 2 2 254.378 0.426 20 0 CCADLP CCNC(=O)NC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420362364 358180270 /nfs/dbraw/zinc/18/02/70/358180270.db2.gz OBBSIDXTRMVPRY-NSHDSACASA-N 2 2 270.377 0.329 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N(C)CC(F)(F)F)C[C@H]1C[NH3+] ZINC000420417283 358181354 /nfs/dbraw/zinc/18/13/54/358181354.db2.gz WGUNSNLPKLDMTK-NXEZZACHSA-N 2 2 281.322 0.924 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)CC(F)(F)F)C[C@H]1C[NH3+] ZINC000420417283 358181355 /nfs/dbraw/zinc/18/13/55/358181355.db2.gz WGUNSNLPKLDMTK-NXEZZACHSA-N 2 2 281.322 0.924 20 0 CCADLP Cc1ccc([C@H](CNC(=O)C[NH3+])[NH+]2CCOCC2)s1 ZINC000423762553 358205172 /nfs/dbraw/zinc/20/51/72/358205172.db2.gz SRDMNWMLLXJARP-NSHDSACASA-N 2 2 283.397 0.505 20 0 CCADLP COCC[C@]1(C(=O)N2CCn3cc[nH+]c3C2)CC[NH2+]C1 ZINC000430910402 358229466 /nfs/dbraw/zinc/22/94/66/358229466.db2.gz TVPQGJBAERZTBX-CQSZACIVSA-N 2 2 278.356 0.242 20 0 CCADLP C[C@H]([NH3+])CN1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000442663639 358241325 /nfs/dbraw/zinc/24/13/25/358241325.db2.gz KDZNITYBYHQVFG-UONOGXRCSA-N 2 2 282.432 0.352 20 0 CCADLP NC(=O)[C@H]1CCCC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000130875278 283347803 /nfs/dbraw/zinc/34/78/03/283347803.db2.gz WZXDLJPBMOUJOX-NWDGAFQWSA-N 2 2 250.346 0.907 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]C1CN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000497284011 358331831 /nfs/dbraw/zinc/33/18/31/358331831.db2.gz FJVIENFOQZDWMJ-CYBMUJFWSA-N 2 2 299.415 0.650 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]C1CN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000497284011 358331834 /nfs/dbraw/zinc/33/18/34/358331834.db2.gz FJVIENFOQZDWMJ-CYBMUJFWSA-N 2 2 299.415 0.650 20 0 CCADLP COC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000517567465 358342739 /nfs/dbraw/zinc/34/27/39/358342739.db2.gz QEIWXDCIYLZNSI-QWRGUYRKSA-N 2 2 256.346 0.235 20 0 CCADLP COC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000517567465 358342741 /nfs/dbraw/zinc/34/27/41/358342741.db2.gz QEIWXDCIYLZNSI-QWRGUYRKSA-N 2 2 256.346 0.235 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1Cc2ccccc2NC1=O ZINC000530225545 358381573 /nfs/dbraw/zinc/38/15/73/358381573.db2.gz OJVMMOJDUPYONE-KYOSRNDESA-N 2 2 289.379 0.906 20 0 CCADLP Cn1ncc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)n1 ZINC000530242427 358384635 /nfs/dbraw/zinc/38/46/35/358384635.db2.gz UTHRDZSFYBAJFM-AWEZNQCLSA-N 2 2 279.388 0.406 20 0 CCADLP CC[C@H]1CN(C)CC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000562444792 291152299 /nfs/dbraw/zinc/15/22/99/291152299.db2.gz SKJSJYUPJWUYQK-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP CC[C@H]1CN(C)CC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000562444792 291152302 /nfs/dbraw/zinc/15/23/02/291152302.db2.gz SKJSJYUPJWUYQK-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1CCC(=O)N1CC[NH+](C)CC1 ZINC000562444792 291152303 /nfs/dbraw/zinc/15/23/03/291152303.db2.gz SKJSJYUPJWUYQK-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1CCC(=O)N1CC[NH+](C)CC1 ZINC000562444792 291152305 /nfs/dbraw/zinc/15/23/05/291152305.db2.gz SKJSJYUPJWUYQK-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP CN(CCC(=O)NCC[NH+]1CCOCC1)c1cc[nH+]cc1 ZINC000543713186 358547885 /nfs/dbraw/zinc/54/78/85/358547885.db2.gz QXXYNMAJNUMAIS-UHFFFAOYSA-N 2 2 292.383 0.356 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)C1CC1 ZINC000567683450 358571255 /nfs/dbraw/zinc/57/12/55/358571255.db2.gz NXWITKLQEMBPCD-DGCLKSJQSA-N 2 2 283.416 0.431 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)C1CC1 ZINC000567683450 358571258 /nfs/dbraw/zinc/57/12/58/358571258.db2.gz NXWITKLQEMBPCD-DGCLKSJQSA-N 2 2 283.416 0.431 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000567728781 358578080 /nfs/dbraw/zinc/57/80/80/358578080.db2.gz ZYVWLFOBECVEGC-CYBMUJFWSA-N 2 2 260.345 0.891 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000567728781 358578083 /nfs/dbraw/zinc/57/80/83/358578083.db2.gz ZYVWLFOBECVEGC-CYBMUJFWSA-N 2 2 260.345 0.891 20 0 CCADLP CC(C)n1nccc1NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C[NH3+] ZINC000567990394 358623356 /nfs/dbraw/zinc/62/33/56/358623356.db2.gz ZBXNVNZLLJFHAD-GHMZBOCLSA-N 2 2 283.376 0.042 20 0 CCADLP CC(C)n1nccc1NC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000567990394 358623360 /nfs/dbraw/zinc/62/33/60/358623360.db2.gz ZBXNVNZLLJFHAD-GHMZBOCLSA-N 2 2 283.376 0.042 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000568051084 358628579 /nfs/dbraw/zinc/62/85/79/358628579.db2.gz WJASUPAXIZLCNK-ZIAGYGMSSA-N 3 2 255.406 0.375 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000568051084 358628583 /nfs/dbraw/zinc/62/85/83/358628583.db2.gz WJASUPAXIZLCNK-ZIAGYGMSSA-N 3 2 255.406 0.375 20 0 CCADLP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000568166538 358638497 /nfs/dbraw/zinc/63/84/97/358638497.db2.gz NBPXSFGFKIPEMO-RYUDHWBXSA-N 2 2 279.388 0.835 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(F)(F)[C@H](C)C1 ZINC000568176019 358640960 /nfs/dbraw/zinc/64/09/60/358640960.db2.gz OCWUWIMOXARWRR-NEPJUHHUSA-N 2 2 280.359 0.903 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(F)(F)[C@H](C)C1 ZINC000568176019 358640962 /nfs/dbraw/zinc/64/09/62/358640962.db2.gz OCWUWIMOXARWRR-NEPJUHHUSA-N 2 2 280.359 0.903 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000568176019 358640966 /nfs/dbraw/zinc/64/09/66/358640966.db2.gz OCWUWIMOXARWRR-NEPJUHHUSA-N 2 2 280.359 0.903 20 0 CCADLP COc1cc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)ccn1 ZINC000568236913 358654693 /nfs/dbraw/zinc/65/46/93/358654693.db2.gz YORPKLBVRFPQLW-RISCZKNCSA-N 2 2 265.357 0.807 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000568251285 358657122 /nfs/dbraw/zinc/65/71/22/358657122.db2.gz NESVJLMEVOKBJG-VIFPVBQESA-N 2 2 274.328 0.795 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@H+](CCOc3ccc(F)cc3)CCN2C1=O ZINC000568267992 358660331 /nfs/dbraw/zinc/66/03/31/358660331.db2.gz PNKACGFWYLKXOQ-OCCSQVGLSA-N 2 2 293.342 0.448 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCOc3ccc(F)cc3)CCN2C1=O ZINC000568267992 358660333 /nfs/dbraw/zinc/66/03/33/358660333.db2.gz PNKACGFWYLKXOQ-OCCSQVGLSA-N 2 2 293.342 0.448 20 0 CCADLP C[NH2+][C@@H](C)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000568768137 358704727 /nfs/dbraw/zinc/70/47/27/358704727.db2.gz HSPPKVRRSNZLOI-RYUDHWBXSA-N 2 2 292.383 0.531 20 0 CCADLP [NH3+][C@@H](C(=O)NCC[C@H]1CCC[NH2+]C1)c1cscn1 ZINC000568619516 358688993 /nfs/dbraw/zinc/68/89/93/358688993.db2.gz BHKKZULUHDSGFI-MWLCHTKSSA-N 2 2 268.386 0.649 20 0 CCADLP Cn1ncc2c1nc(N)[nH+]c2N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000569237918 358747214 /nfs/dbraw/zinc/74/72/14/358747214.db2.gz IXFGYOXAIQIDHD-UHFFFAOYSA-N 2 2 298.354 0.883 20 0 CCADLP Nc1ccc(NC(=O)COC2CC[NH2+]CC2)c[nH+]1 ZINC000568867340 358711824 /nfs/dbraw/zinc/71/18/24/358711824.db2.gz TZDWWPZEFLHBRT-UHFFFAOYSA-N 2 2 250.302 0.201 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000568873209 358713116 /nfs/dbraw/zinc/71/31/16/358713116.db2.gz NRVHVOGERVWSER-BPLDGKMQSA-N 3 2 269.433 0.904 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000568873209 358713119 /nfs/dbraw/zinc/71/31/19/358713119.db2.gz NRVHVOGERVWSER-BPLDGKMQSA-N 3 2 269.433 0.904 20 0 CCADLP Cc1ncncc1[C@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000568879018 358714277 /nfs/dbraw/zinc/71/42/77/358714277.db2.gz DMALKFNBLIBLDA-WCQYABFASA-N 2 2 263.389 0.681 20 0 CCADLP Cc1ncncc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000568879018 358714279 /nfs/dbraw/zinc/71/42/79/358714279.db2.gz DMALKFNBLIBLDA-WCQYABFASA-N 2 2 263.389 0.681 20 0 CCADLP CC(C)OCCCCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000569215214 358743394 /nfs/dbraw/zinc/74/33/94/358743394.db2.gz JCLRPJNRJFQSPB-ZDUSSCGKSA-N 2 2 286.420 0.476 20 0 CCADLP CC(C)OCCCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000569215214 358743396 /nfs/dbraw/zinc/74/33/96/358743396.db2.gz JCLRPJNRJFQSPB-ZDUSSCGKSA-N 2 2 286.420 0.476 20 0 CCADLP Cn1cc[nH+]c1[C@@H](NC[C@@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000571040919 358905648 /nfs/dbraw/zinc/90/56/48/358905648.db2.gz UMXHQBSXAAJNCS-KGLIPLIRSA-N 2 2 278.400 0.916 20 0 CCADLP Cn1cc[nH+]c1[C@@H](NC[C@@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000571040919 358905654 /nfs/dbraw/zinc/90/56/54/358905654.db2.gz UMXHQBSXAAJNCS-KGLIPLIRSA-N 2 2 278.400 0.916 20 0 CCADLP C[C@H](O)CNc1cc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)nc[nH+]1 ZINC000571051662 358907879 /nfs/dbraw/zinc/90/78/79/358907879.db2.gz UOSMBZATYQGDCP-SRVKXCTJSA-N 2 2 279.388 0.798 20 0 CCADLP C[C@H](O)CNc1cc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)nc[nH+]1 ZINC000571051662 358907883 /nfs/dbraw/zinc/90/78/83/358907883.db2.gz UOSMBZATYQGDCP-SRVKXCTJSA-N 2 2 279.388 0.798 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2CCCOCC2)C[C@H](C)O1 ZINC000573477021 358971101 /nfs/dbraw/zinc/97/11/01/358971101.db2.gz BUAMOXZJAACNFX-LXTVHRRPSA-N 2 2 286.416 0.615 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2CCCOCC2)C[C@H](C)O1 ZINC000573477021 358971103 /nfs/dbraw/zinc/97/11/03/358971103.db2.gz BUAMOXZJAACNFX-LXTVHRRPSA-N 2 2 286.416 0.615 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC2CCCCCC2)[C@H](C[NH3+])C1 ZINC000571181766 358920605 /nfs/dbraw/zinc/92/06/05/358920605.db2.gz DFGBSPOURWYYBU-CYBMUJFWSA-N 2 2 268.405 0.994 20 0 CCADLP C[N@H+]1CCN(C(=O)NC2CCCCCC2)[C@H](C[NH3+])C1 ZINC000571181766 358920607 /nfs/dbraw/zinc/92/06/07/358920607.db2.gz DFGBSPOURWYYBU-CYBMUJFWSA-N 2 2 268.405 0.994 20 0 CCADLP Cc1cccc(NCCNC(=O)CC(F)(F)C[NH3+])[nH+]1 ZINC000573215929 358948548 /nfs/dbraw/zinc/94/85/48/358948548.db2.gz KJAIGQADIXONCY-UHFFFAOYSA-N 2 2 272.299 0.902 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])c1cscn1 ZINC000573797301 358999748 /nfs/dbraw/zinc/99/97/48/358999748.db2.gz CVGYELOEJJEDEZ-CMPLNLGQSA-N 2 2 298.412 0.370 20 0 CCADLP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])c1cscn1 ZINC000573797301 358999750 /nfs/dbraw/zinc/99/97/50/358999750.db2.gz CVGYELOEJJEDEZ-CMPLNLGQSA-N 2 2 298.412 0.370 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@H+](CCOc3cccc(F)c3)CCN2C1=O ZINC000580725455 359086870 /nfs/dbraw/zinc/08/68/70/359086870.db2.gz RSWAMKAFYYWEPP-OCCSQVGLSA-N 2 2 293.342 0.448 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCOc3cccc(F)c3)CCN2C1=O ZINC000580725455 359086874 /nfs/dbraw/zinc/08/68/74/359086874.db2.gz RSWAMKAFYYWEPP-OCCSQVGLSA-N 2 2 293.342 0.448 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@H+](CCOc3cccc(F)c3)CCN2C1=O ZINC000580725454 359087655 /nfs/dbraw/zinc/08/76/55/359087655.db2.gz RSWAMKAFYYWEPP-JSGCOSHPSA-N 2 2 293.342 0.448 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CCOc3cccc(F)c3)CCN2C1=O ZINC000580725454 359087656 /nfs/dbraw/zinc/08/76/56/359087656.db2.gz RSWAMKAFYYWEPP-JSGCOSHPSA-N 2 2 293.342 0.448 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000584728273 359197090 /nfs/dbraw/zinc/19/70/90/359197090.db2.gz HBZZGGPSQZWOGX-STQMWFEESA-N 2 2 293.415 0.381 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000584728273 359197094 /nfs/dbraw/zinc/19/70/94/359197094.db2.gz HBZZGGPSQZWOGX-STQMWFEESA-N 2 2 293.415 0.381 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000584728273 359197096 /nfs/dbraw/zinc/19/70/96/359197096.db2.gz HBZZGGPSQZWOGX-STQMWFEESA-N 2 2 293.415 0.381 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000584728273 359197098 /nfs/dbraw/zinc/19/70/98/359197098.db2.gz HBZZGGPSQZWOGX-STQMWFEESA-N 2 2 293.415 0.381 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cn(C)nn2)CC1 ZINC000589735511 359400005 /nfs/dbraw/zinc/40/00/05/359400005.db2.gz LXEFVQFCMRQGOK-UHFFFAOYSA-N 2 2 295.387 0.322 20 0 CCADLP O=C(CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)N1CCOCC1 ZINC000591083155 359556017 /nfs/dbraw/zinc/55/60/17/359556017.db2.gz PZQKBHNXYLUOBZ-CQSZACIVSA-N 2 2 292.383 0.769 20 0 CCADLP O=C(CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)N1CCOCC1 ZINC000591083155 359556021 /nfs/dbraw/zinc/55/60/21/359556021.db2.gz PZQKBHNXYLUOBZ-CQSZACIVSA-N 2 2 292.383 0.769 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000591092393 359556905 /nfs/dbraw/zinc/55/69/05/359556905.db2.gz KXYXWLOOIOKFJZ-LBPRGKRZSA-N 2 2 269.389 0.165 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000591092393 359556909 /nfs/dbraw/zinc/55/69/09/359556909.db2.gz KXYXWLOOIOKFJZ-LBPRGKRZSA-N 2 2 269.389 0.165 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)[nH]1 ZINC000591281803 359574004 /nfs/dbraw/zinc/57/40/04/359574004.db2.gz KXZRKYMFGKWFNB-WPRPVWTQSA-N 2 2 255.293 0.591 20 0 CCADLP COCC1(CCNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1 ZINC000563091614 291191064 /nfs/dbraw/zinc/19/10/64/291191064.db2.gz CTUPSKQHZLEERE-GFCCVEGCSA-N 2 2 284.404 0.087 20 0 CCADLP COCC1(CCNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1 ZINC000563091614 291191065 /nfs/dbraw/zinc/19/10/65/291191065.db2.gz CTUPSKQHZLEERE-GFCCVEGCSA-N 2 2 284.404 0.087 20 0 CCADLP C[NH+](C)C/C=C/C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000492991797 237358339 /nfs/dbraw/zinc/35/83/39/237358339.db2.gz RBFMFXJXWCJUBM-AYIQIARFSA-N 2 2 267.373 0.084 20 0 CCADLP C[NH+](C)C/C=C/C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000492991797 237358347 /nfs/dbraw/zinc/35/83/47/237358347.db2.gz RBFMFXJXWCJUBM-AYIQIARFSA-N 2 2 267.373 0.084 20 0 CCADLP COC(=O)CC[C@H]([NH3+])C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000592137891 359764151 /nfs/dbraw/zinc/76/41/51/359764151.db2.gz RVGBFBTZQAQFAX-JTQLQIEISA-N 2 2 276.296 0.553 20 0 CCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(C)([NH3+])CC1 ZINC000592484999 359853261 /nfs/dbraw/zinc/85/32/61/359853261.db2.gz MOGDWDCKLZBUTH-SNVBAGLBSA-N 2 2 284.404 0.812 20 0 CCADLP O=C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NC(=O)NC1CC1 ZINC000592487234 359854515 /nfs/dbraw/zinc/85/45/15/359854515.db2.gz RTLOWXMSDOOEEE-AWEZNQCLSA-N 2 2 280.372 0.050 20 0 CCADLP O=C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NC(=O)NC1CC1 ZINC000592487234 359854517 /nfs/dbraw/zinc/85/45/17/359854517.db2.gz RTLOWXMSDOOEEE-AWEZNQCLSA-N 2 2 280.372 0.050 20 0 CCADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000329487318 202357301 /nfs/dbraw/zinc/35/73/01/202357301.db2.gz RKWHDHZDRZGFIS-CQSZACIVSA-N 2 2 262.357 0.897 20 0 CCADLP C[N@H+]1CC[C@@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000329487318 202357302 /nfs/dbraw/zinc/35/73/02/202357302.db2.gz RKWHDHZDRZGFIS-CQSZACIVSA-N 2 2 262.357 0.897 20 0 CCADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000361083222 291211372 /nfs/dbraw/zinc/21/13/72/291211372.db2.gz XKSIKWYGPVJZQT-YGRLFVJLSA-N 2 2 291.351 0.484 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](CCCn2cc[nH+]c2C)C[C@H](C)O1 ZINC000593086824 360031800 /nfs/dbraw/zinc/03/18/00/360031800.db2.gz GOXYWIWMQSDWSY-AAEUAGOBSA-N 2 2 281.356 0.844 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](CCCn2cc[nH+]c2C)C[C@H](C)O1 ZINC000593086824 360031805 /nfs/dbraw/zinc/03/18/05/360031805.db2.gz GOXYWIWMQSDWSY-AAEUAGOBSA-N 2 2 281.356 0.844 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]([C@H](C)O)C1 ZINC000563350887 291216129 /nfs/dbraw/zinc/21/61/29/291216129.db2.gz STDBMDVPGYXSHZ-IHRRRGAJSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]([C@H](C)O)C1 ZINC000563350887 291216131 /nfs/dbraw/zinc/21/61/31/291216131.db2.gz STDBMDVPGYXSHZ-IHRRRGAJSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000563350887 291216132 /nfs/dbraw/zinc/21/61/32/291216132.db2.gz STDBMDVPGYXSHZ-IHRRRGAJSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000563350887 291216134 /nfs/dbraw/zinc/21/61/34/291216134.db2.gz STDBMDVPGYXSHZ-IHRRRGAJSA-N 2 2 274.405 0.018 20 0 CCADLP C[C@@H](O)CNc1cc(N2CCC[N@H+](C)CC2)nc[nH+]1 ZINC000298197304 200357313 /nfs/dbraw/zinc/35/73/13/200357313.db2.gz HXWOAMILBITVFH-LLVKDONJSA-N 2 2 265.361 0.411 20 0 CCADLP C[C@@H](O)CNc1cc(N2CCC[N@@H+](C)CC2)nc[nH+]1 ZINC000298197304 200357314 /nfs/dbraw/zinc/35/73/14/200357314.db2.gz HXWOAMILBITVFH-LLVKDONJSA-N 2 2 265.361 0.411 20 0 CCADLP [NH3+]C[C@H](NC(=O)NCc1[nH]cc[nH+]1)C(F)(F)F ZINC000655922356 412697576 /nfs/dbraw/zinc/69/75/76/412697576.db2.gz QAABMVPXDDBYJO-YFKPBYRVSA-N 2 2 251.212 0.099 20 0 CCADLP C[C@@H](CNc1[nH+]cnc2[nH]cc(C(N)=O)c21)Cn1cc[nH+]c1 ZINC000621254083 366680609 /nfs/dbraw/zinc/68/06/09/366680609.db2.gz GKYITJXWBDWCTP-VIFPVBQESA-N 2 2 299.338 0.953 20 0 CCADLP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000594749318 360375625 /nfs/dbraw/zinc/37/56/25/360375625.db2.gz OSZLZOAJRIZCGF-ZIAGYGMSSA-N 2 2 266.389 0.706 20 0 CCADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000594749318 360375629 /nfs/dbraw/zinc/37/56/29/360375629.db2.gz OSZLZOAJRIZCGF-ZIAGYGMSSA-N 2 2 266.389 0.706 20 0 CCADLP C[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000167319574 296013983 /nfs/dbraw/zinc/01/39/83/296013983.db2.gz BIFISEOCDZWFTC-VXGBXAGGSA-N 2 2 255.362 0.047 20 0 CCADLP CC(C)n1cc[nH+]c1CN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594874953 360404652 /nfs/dbraw/zinc/40/46/52/360404652.db2.gz AMHAFQATCDRXDY-NEPJUHHUSA-N 2 2 277.372 0.208 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000594946050 360423870 /nfs/dbraw/zinc/42/38/70/360423870.db2.gz MXQBZUSIDACVHO-NNYUYHANSA-N 2 2 263.341 0.985 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)[C@H](C)O1 ZINC000563419682 291227159 /nfs/dbraw/zinc/22/71/59/291227159.db2.gz XTSNUHMUVSODBF-VNUHZKFNSA-N 2 2 292.383 0.895 20 0 CCADLP O=C(N[C@@H]1CC[NH2+]C1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000178463902 189118778 /nfs/dbraw/zinc/11/87/78/189118778.db2.gz VALBZYRDVVCGEB-LLVKDONJSA-N 2 2 257.297 0.359 20 0 CCADLP CCOC(=O)[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000595893508 360693820 /nfs/dbraw/zinc/69/38/20/360693820.db2.gz RXEQLZOXWNYCDN-RYUDHWBXSA-N 2 2 256.346 0.250 20 0 CCADLP CCOC(=O)[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000595893508 360693823 /nfs/dbraw/zinc/69/38/23/360693823.db2.gz RXEQLZOXWNYCDN-RYUDHWBXSA-N 2 2 256.346 0.250 20 0 CCADLP COC(=O)[C@@]1(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)CC[C@@H](C)CC1 ZINC000595970476 360744204 /nfs/dbraw/zinc/74/42/04/360744204.db2.gz WVNMJDUJAQJUIA-HUBLWGQQSA-N 2 2 299.415 0.504 20 0 CCADLP C[NH2+]C[C@H](C)[NH2+]Cc1c(C)nn(CCC(=O)OC)c1C ZINC000596108735 360796158 /nfs/dbraw/zinc/79/61/58/360796158.db2.gz XBGSUHQPIDCELG-JTQLQIEISA-N 2 2 282.388 0.761 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N[C@H](C[NH3+])C(F)(F)F)c1 ZINC000655932510 412707879 /nfs/dbraw/zinc/70/78/79/412707879.db2.gz WWGHNDKQTXNTSX-MRVPVSSYSA-N 2 2 279.266 0.151 20 0 CCADLP C[C@H](C[NH3+])N(C)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000179202953 189177356 /nfs/dbraw/zinc/17/73/56/189177356.db2.gz GNMVTFOJHBXQKE-SNVBAGLBSA-N 2 2 259.313 0.687 20 0 CCADLP CC(C)C(=O)NCC[N@H+](C)CCCn1cc[nH+]c1 ZINC000179661632 189211087 /nfs/dbraw/zinc/21/10/87/189211087.db2.gz MRZVYBFPYWXRDH-UHFFFAOYSA-N 2 2 252.362 0.977 20 0 CCADLP CC(C)C(=O)NCC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000179661632 189211088 /nfs/dbraw/zinc/21/10/88/189211088.db2.gz MRZVYBFPYWXRDH-UHFFFAOYSA-N 2 2 252.362 0.977 20 0 CCADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)C(C)(C)n1cncn1 ZINC000453271839 299317779 /nfs/dbraw/zinc/31/77/79/299317779.db2.gz UIYIDHHTBYUGPQ-UONOGXRCSA-N 2 2 295.431 0.838 20 0 CCADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)C(C)(C)n1cncn1 ZINC000453271839 299317782 /nfs/dbraw/zinc/31/77/82/299317782.db2.gz UIYIDHHTBYUGPQ-UONOGXRCSA-N 2 2 295.431 0.838 20 0 CCADLP COC(=O)c1oc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1C ZINC000597049081 361001024 /nfs/dbraw/zinc/00/10/24/361001024.db2.gz KYZLHIARPZAEDG-GFCCVEGCSA-N 2 2 296.367 0.921 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000563810639 291252016 /nfs/dbraw/zinc/25/20/16/291252016.db2.gz RNYRTPRDDUVDAN-BDAKNGLRSA-N 2 2 260.301 0.128 20 0 CCADLP CNS(=O)(=O)c1cccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000422742346 283642529 /nfs/dbraw/zinc/64/25/29/283642529.db2.gz ROFAEEZXTANGKN-RISCZKNCSA-N 2 2 297.424 0.825 20 0 CCADLP O=C1[C@@H]([NH+]2CCC3(CC[NH2+]3)CC2)CCN1C1CCC1 ZINC000631828155 370694921 /nfs/dbraw/zinc/69/49/21/370694921.db2.gz GVVJDPKEILMZPU-ZDUSSCGKSA-N 2 2 263.385 0.968 20 0 CCADLP Cc1cc(NC(=O)C[NH2+][C@H]2CC[NH2+]CC2(C)C)n(C)n1 ZINC000564090218 291265612 /nfs/dbraw/zinc/26/56/12/291265612.db2.gz MQDKTCRSUQPYOF-NSHDSACASA-N 2 2 279.388 0.645 20 0 CCADLP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000611750135 363775690 /nfs/dbraw/zinc/77/56/90/363775690.db2.gz ODZMNFWRTCKWAM-VXGBXAGGSA-N 2 2 276.384 0.973 20 0 CCADLP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000611750135 363775698 /nfs/dbraw/zinc/77/56/98/363775698.db2.gz ODZMNFWRTCKWAM-VXGBXAGGSA-N 2 2 276.384 0.973 20 0 CCADLP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000611750135 363775703 /nfs/dbraw/zinc/77/57/03/363775703.db2.gz ODZMNFWRTCKWAM-VXGBXAGGSA-N 2 2 276.384 0.973 20 0 CCADLP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000611750135 363775713 /nfs/dbraw/zinc/77/57/13/363775713.db2.gz ODZMNFWRTCKWAM-VXGBXAGGSA-N 2 2 276.384 0.973 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000564139734 291267845 /nfs/dbraw/zinc/26/78/45/291267845.db2.gz DGWDKYGEJBFPSA-KGLIPLIRSA-N 2 2 292.383 0.643 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000621642460 366815206 /nfs/dbraw/zinc/81/52/06/366815206.db2.gz NQRLOUYNWPUXGP-KBPBESRZSA-N 2 2 283.416 0.603 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000621642460 366815211 /nfs/dbraw/zinc/81/52/11/366815211.db2.gz NQRLOUYNWPUXGP-KBPBESRZSA-N 2 2 283.416 0.603 20 0 CCADLP COc1ccc(F)c(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000621669756 366826342 /nfs/dbraw/zinc/82/63/42/366826342.db2.gz WCPHVPBVPQOOCR-ZDUSSCGKSA-N 2 2 283.347 0.730 20 0 CCADLP CC[NH+](CC)CCSCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000598942417 361535047 /nfs/dbraw/zinc/53/50/47/361535047.db2.gz AAURQROGCCYXSK-LBPRGKRZSA-N 2 2 296.440 0.999 20 0 CCADLP C[N@@H+]1CCO[C@@H]2CN(c3cc(NCC4CC4)[nH+]cn3)C[C@@H]21 ZINC000301816335 201214226 /nfs/dbraw/zinc/21/42/26/201214226.db2.gz HBRPHSDSQGOLDV-QWHCGFSZSA-N 2 2 289.383 0.818 20 0 CCADLP C[N@H+]1CCO[C@@H]2CN(c3cc(NCC4CC4)[nH+]cn3)C[C@@H]21 ZINC000301816335 201214229 /nfs/dbraw/zinc/21/42/29/201214229.db2.gz HBRPHSDSQGOLDV-QWHCGFSZSA-N 2 2 289.383 0.818 20 0 CCADLP OCCC[N@@H+]1CCC[C@@H]([NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC000564453784 291280863 /nfs/dbraw/zinc/28/08/63/291280863.db2.gz ROUPSABNEDNJLG-GHMZBOCLSA-N 2 2 284.322 0.736 20 0 CCADLP OCCC[N@H+]1CCC[C@@H]([NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC000564453784 291280864 /nfs/dbraw/zinc/28/08/64/291280864.db2.gz ROUPSABNEDNJLG-GHMZBOCLSA-N 2 2 284.322 0.736 20 0 CCADLP CCOC(=O)C[C@@H](O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000599288808 361634820 /nfs/dbraw/zinc/63/48/20/361634820.db2.gz WWPGMHZWXBAJNS-CHWSQXEVSA-N 2 2 281.356 0.834 20 0 CCADLP CCOC(=O)C[C@@H](O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000599288808 361634822 /nfs/dbraw/zinc/63/48/22/361634822.db2.gz WWPGMHZWXBAJNS-CHWSQXEVSA-N 2 2 281.356 0.834 20 0 CCADLP CCOC(=O)C[C@@H](O)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000599345243 361664214 /nfs/dbraw/zinc/66/42/14/361664214.db2.gz OHCFGZDGOWANBX-CYBMUJFWSA-N 2 2 284.400 0.861 20 0 CCADLP CCOC(=O)C[C@@H](O)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000599345243 361664219 /nfs/dbraw/zinc/66/42/19/361664219.db2.gz OHCFGZDGOWANBX-CYBMUJFWSA-N 2 2 284.400 0.861 20 0 CCADLP COCC[NH2+]C1CC[NH+]([C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000631829788 370696230 /nfs/dbraw/zinc/69/62/30/370696230.db2.gz ZQYFUCIJUHTGIK-OAHLLOKOSA-N 2 2 295.427 0.840 20 0 CCADLP CC(C)c1nc(N2CC([NH+](C)C)C2)nc(N(C)C)[nH+]1 ZINC000302030628 201308019 /nfs/dbraw/zinc/30/80/19/201308019.db2.gz RWPVFWNQOUXDKS-UHFFFAOYSA-N 2 2 264.377 0.811 20 0 CCADLP C[C@@]1(NC(=O)NCc2cn3ccccc3[nH+]2)CC[NH2+]C1 ZINC000612861844 364024481 /nfs/dbraw/zinc/02/44/81/364024481.db2.gz DUOLWSOUNWEDMW-CQSZACIVSA-N 2 2 273.340 0.886 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612970270 364058997 /nfs/dbraw/zinc/05/89/97/364058997.db2.gz LHMSBFPSWPOZJO-QWHCGFSZSA-N 2 2 296.415 0.148 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612970270 364059004 /nfs/dbraw/zinc/05/90/04/364059004.db2.gz LHMSBFPSWPOZJO-QWHCGFSZSA-N 2 2 296.415 0.148 20 0 CCADLP CCS(=O)(=O)NCCC[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631835439 370700479 /nfs/dbraw/zinc/70/04/79/370700479.db2.gz UXCSVNOGRGSNQN-LBPRGKRZSA-N 2 2 277.434 0.519 20 0 CCADLP CCS(=O)(=O)NCCC[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631835439 370700482 /nfs/dbraw/zinc/70/04/82/370700482.db2.gz UXCSVNOGRGSNQN-LBPRGKRZSA-N 2 2 277.434 0.519 20 0 CCADLP COc1cc[nH+]c(CN2CCC([NH2+]CCO)CC2)c1OC ZINC000631861711 370722022 /nfs/dbraw/zinc/72/20/22/370722022.db2.gz HRFMHCVNZZUXSA-UHFFFAOYSA-N 2 2 295.383 0.645 20 0 CCADLP CC(C)N(C(=O)C[NH+]1CCC([NH2+]CCO)CC1)C(C)C ZINC000631866559 370726522 /nfs/dbraw/zinc/72/65/22/370726522.db2.gz REVSHMTZNIOAHO-UHFFFAOYSA-N 2 2 285.432 0.678 20 0 CCADLP CC(C)CNC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631888318 370738565 /nfs/dbraw/zinc/73/85/65/370738565.db2.gz YASCVXACEXVRSD-STQMWFEESA-N 2 2 253.390 0.833 20 0 CCADLP CC(C)CNC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631888318 370738567 /nfs/dbraw/zinc/73/85/67/370738567.db2.gz YASCVXACEXVRSD-STQMWFEESA-N 2 2 253.390 0.833 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)N1CCCC1 ZINC000631891292 370741149 /nfs/dbraw/zinc/74/11/49/370741149.db2.gz XEDVYDYGKGLRAW-CHWSQXEVSA-N 2 2 251.374 0.683 20 0 CCADLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)N1CCCC1 ZINC000631891292 370741155 /nfs/dbraw/zinc/74/11/55/370741155.db2.gz XEDVYDYGKGLRAW-CHWSQXEVSA-N 2 2 251.374 0.683 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631891244 370741372 /nfs/dbraw/zinc/74/13/72/370741372.db2.gz ZSIQHWAKLWHBND-ZIAGYGMSSA-N 2 2 253.390 0.393 20 0 CCADLP C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)N1CCOCC1 ZINC000631891244 370741377 /nfs/dbraw/zinc/74/13/77/370741377.db2.gz ZSIQHWAKLWHBND-ZIAGYGMSSA-N 2 2 253.390 0.393 20 0 CCADLP C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)N1CCOCC1 ZINC000631891244 370741381 /nfs/dbraw/zinc/74/13/81/370741381.db2.gz ZSIQHWAKLWHBND-ZIAGYGMSSA-N 2 2 253.390 0.393 20 0 CCADLP C[C@@H]1CN(S(=O)(=O)CC2([NH+](C)C)CC2)C[C@H](C)[NH2+]1 ZINC000631904462 370751741 /nfs/dbraw/zinc/75/17/41/370751741.db2.gz OKYBCGRHOGKZPZ-PHIMTYICSA-N 2 2 275.418 0.093 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000564853240 291307431 /nfs/dbraw/zinc/30/74/31/291307431.db2.gz AGHRBCAFBGRLNF-UYJHQMFVSA-N 2 2 299.459 0.529 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000564853240 291307432 /nfs/dbraw/zinc/30/74/32/291307432.db2.gz AGHRBCAFBGRLNF-UYJHQMFVSA-N 2 2 299.459 0.529 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000614065753 364483357 /nfs/dbraw/zinc/48/33/57/364483357.db2.gz UKEAKJCUTQYFSM-AWEZNQCLSA-N 2 2 280.372 0.176 20 0 CCADLP [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@@H]1CCc3[nH+]ccn3C1)C2 ZINC000621700234 366842994 /nfs/dbraw/zinc/84/29/94/366842994.db2.gz KWRUPBHHHDMBKV-JMSVASOKSA-N 2 2 274.368 0.785 20 0 CCADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCOC[C@@H]1CCCO1)C2 ZINC000621783231 366866275 /nfs/dbraw/zinc/86/62/75/366866275.db2.gz YWXOHGWTCIKPRE-RDBSUJKOSA-N 2 2 254.374 0.995 20 0 CCADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCOC[C@@H]1CCCO1)C2 ZINC000621783231 366866279 /nfs/dbraw/zinc/86/62/79/366866279.db2.gz YWXOHGWTCIKPRE-RDBSUJKOSA-N 2 2 254.374 0.995 20 0 CCADLP CC[NH+]1CCN(CC(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000614275509 364559485 /nfs/dbraw/zinc/55/94/85/364559485.db2.gz LHMQLDLSRQHTAH-UHFFFAOYSA-N 2 2 287.367 0.910 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000614838151 364740233 /nfs/dbraw/zinc/74/02/33/364740233.db2.gz DBFPZMPQOIDRJF-HBNTYKKESA-N 2 2 250.346 0.590 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1cccnc1 ZINC000564944579 291322455 /nfs/dbraw/zinc/32/24/55/291322455.db2.gz USPYECPYCDPCAA-DGCLKSJQSA-N 2 2 262.357 0.286 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1cccnc1 ZINC000564944579 291322457 /nfs/dbraw/zinc/32/24/57/291322457.db2.gz USPYECPYCDPCAA-DGCLKSJQSA-N 2 2 262.357 0.286 20 0 CCADLP C[C@H]1COCC[N@@H+]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000615089182 364844775 /nfs/dbraw/zinc/84/47/75/364844775.db2.gz XWKCGXWUDBMREH-ZDUSSCGKSA-N 2 2 292.383 0.595 20 0 CCADLP C[C@H]1COCC[N@H+]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000615089182 364844779 /nfs/dbraw/zinc/84/47/79/364844779.db2.gz XWKCGXWUDBMREH-ZDUSSCGKSA-N 2 2 292.383 0.595 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C[NH+](C)C ZINC000615178190 364870573 /nfs/dbraw/zinc/87/05/73/364870573.db2.gz SYJSXHFMELXGSF-QJPTWQEYSA-N 2 2 264.373 0.838 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCCCCO)C[C@H](C)O1 ZINC000564977635 291329601 /nfs/dbraw/zinc/32/96/01/291329601.db2.gz XWNPBXSRSICKBM-MJBXVCDLSA-N 2 2 274.405 0.209 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCCCCO)C[C@H](C)O1 ZINC000564977635 291329603 /nfs/dbraw/zinc/32/96/03/291329603.db2.gz XWNPBXSRSICKBM-MJBXVCDLSA-N 2 2 274.405 0.209 20 0 CCADLP C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000615265374 364898081 /nfs/dbraw/zinc/89/80/81/364898081.db2.gz IJTCHZKSFGVOFU-KBPBESRZSA-N 2 2 295.427 0.650 20 0 CCADLP C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000615265374 364898084 /nfs/dbraw/zinc/89/80/84/364898084.db2.gz IJTCHZKSFGVOFU-KBPBESRZSA-N 2 2 295.427 0.650 20 0 CCADLP C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000615265377 364898328 /nfs/dbraw/zinc/89/83/28/364898328.db2.gz IJTCHZKSFGVOFU-KGLIPLIRSA-N 2 2 295.427 0.650 20 0 CCADLP C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000615265377 364898330 /nfs/dbraw/zinc/89/83/30/364898330.db2.gz IJTCHZKSFGVOFU-KGLIPLIRSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC1(CS(C)(=O)=O)CC1 ZINC000564987911 291331777 /nfs/dbraw/zinc/33/17/77/291331777.db2.gz VYBCZPSEEPYDOB-QWRGUYRKSA-N 2 2 260.403 0.480 20 0 CCADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC1(CS(C)(=O)=O)CC1 ZINC000564987911 291331774 /nfs/dbraw/zinc/33/17/74/291331774.db2.gz VYBCZPSEEPYDOB-QWRGUYRKSA-N 2 2 260.403 0.480 20 0 CCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC000615559168 365006578 /nfs/dbraw/zinc/00/65/78/365006578.db2.gz WNFWJAXEOJXYSO-QLFBSQMISA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)CC[N@H+]1C ZINC000615559168 365006579 /nfs/dbraw/zinc/00/65/79/365006579.db2.gz WNFWJAXEOJXYSO-QLFBSQMISA-N 2 2 295.427 0.650 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[NH2+]C[C@H]1C(F)F ZINC000565037499 291338824 /nfs/dbraw/zinc/33/88/24/291338824.db2.gz XNRDNBZSJAWNCC-VIFPVBQESA-N 2 2 258.272 0.339 20 0 CCADLP CC[NH+]1CCN([C@@H](C)CNc2nc[nH+]c(N)c2OC)CC1 ZINC000656108624 412742160 /nfs/dbraw/zinc/74/21/60/412742160.db2.gz FQRHPRVOFGWJJW-NSHDSACASA-N 2 2 294.403 0.505 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)[C@H]3C[C@H](F)C[NH2+]3)cn2c1 ZINC000275527902 193068459 /nfs/dbraw/zinc/06/84/59/193068459.db2.gz LTKMRQPVXKXLPO-CMPLNLGQSA-N 2 2 276.315 0.959 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000565164624 291350226 /nfs/dbraw/zinc/35/02/26/291350226.db2.gz NGUYYCDEPXDHJD-MELADBBJSA-N 2 2 272.389 0.179 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000565164624 291350229 /nfs/dbraw/zinc/35/02/29/291350229.db2.gz NGUYYCDEPXDHJD-MELADBBJSA-N 2 2 272.389 0.179 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000565164624 291350231 /nfs/dbraw/zinc/35/02/31/291350231.db2.gz NGUYYCDEPXDHJD-MELADBBJSA-N 2 2 272.389 0.179 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000565164624 291350234 /nfs/dbraw/zinc/35/02/34/291350234.db2.gz NGUYYCDEPXDHJD-MELADBBJSA-N 2 2 272.389 0.179 20 0 CCADLP C[C@@H](CNC(=O)C[NH+]1CC(C)(C)C1)[N@H+](C)C1CC1 ZINC000565180120 291353481 /nfs/dbraw/zinc/35/34/81/291353481.db2.gz GPTMQFDXWINIAS-NSHDSACASA-N 2 2 253.390 0.927 20 0 CCADLP C[C@@H](CNC(=O)C[NH+]1CC(C)(C)C1)[N@@H+](C)C1CC1 ZINC000565180120 291353483 /nfs/dbraw/zinc/35/34/83/291353483.db2.gz GPTMQFDXWINIAS-NSHDSACASA-N 2 2 253.390 0.927 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000622083068 367015470 /nfs/dbraw/zinc/01/54/70/367015470.db2.gz XMCLKKSRRZLYBN-STQMWFEESA-N 2 2 293.415 0.716 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000335556937 212262779 /nfs/dbraw/zinc/26/27/79/212262779.db2.gz GCWKACJSCVMNHU-LBPRGKRZSA-N 2 2 262.357 0.610 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000622630941 367231271 /nfs/dbraw/zinc/23/12/71/367231271.db2.gz CDTCDJCALPARLT-CYBMUJFWSA-N 2 2 294.399 0.316 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000622630941 367231277 /nfs/dbraw/zinc/23/12/77/367231277.db2.gz CDTCDJCALPARLT-CYBMUJFWSA-N 2 2 294.399 0.316 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@H]2CCC[C@@H]2O)C[C@H](C)O1 ZINC000566231650 291379945 /nfs/dbraw/zinc/37/99/45/291379945.db2.gz DNZQLAMAHZXNPZ-KHMAMNHCSA-N 2 2 286.416 0.207 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@H]2CCC[C@@H]2O)C[C@H](C)O1 ZINC000566231650 291379946 /nfs/dbraw/zinc/37/99/46/291379946.db2.gz DNZQLAMAHZXNPZ-KHMAMNHCSA-N 2 2 286.416 0.207 20 0 CCADLP CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@H](C[NH3+])C1CC1 ZINC000623179472 367467424 /nfs/dbraw/zinc/46/74/24/367467424.db2.gz OTEZAIQMQJEFKH-NWDGAFQWSA-N 2 2 262.357 0.641 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623460933 367566733 /nfs/dbraw/zinc/56/67/33/367566733.db2.gz ZDPSILNFHAMFKC-CYBMUJFWSA-N 2 2 295.387 0.211 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623460933 367566741 /nfs/dbraw/zinc/56/67/41/367566741.db2.gz ZDPSILNFHAMFKC-CYBMUJFWSA-N 2 2 295.387 0.211 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCC[NH+]1CCCC1)CC2 ZINC000623544815 367590929 /nfs/dbraw/zinc/59/09/29/367590929.db2.gz MHJPUFFUIBGYMZ-ZDUSSCGKSA-N 2 2 276.384 0.966 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000566351670 291396768 /nfs/dbraw/zinc/39/67/68/291396768.db2.gz WXWDCJWYBDJSET-CVEARBPZSA-N 2 2 278.396 0.900 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000566351670 291396770 /nfs/dbraw/zinc/39/67/70/291396770.db2.gz WXWDCJWYBDJSET-CVEARBPZSA-N 2 2 278.396 0.900 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCN(C3CCC3)C2=O)n1C ZINC000623842859 367678614 /nfs/dbraw/zinc/67/86/14/367678614.db2.gz YENPDXQQQWRXAR-ZDUSSCGKSA-N 2 2 291.399 0.729 20 0 CCADLP Cn1nccc1[C@@H](CO)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000624018294 367725963 /nfs/dbraw/zinc/72/59/63/367725963.db2.gz PPSYZVKHIUQSGZ-CQSZACIVSA-N 2 2 278.400 0.918 20 0 CCADLP NC(=O)[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000624130379 367761595 /nfs/dbraw/zinc/76/15/95/367761595.db2.gz MLJLJHSCZBRMPT-CTYIDZIISA-N 2 2 288.395 0.900 20 0 CCADLP NC(=O)[C@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000624133727 367762923 /nfs/dbraw/zinc/76/29/23/367762923.db2.gz VHPWVMGZXZSHEJ-RAIGVLPGSA-N 2 2 267.373 0.093 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2cn[nH]c2)C1 ZINC000624212256 367790954 /nfs/dbraw/zinc/79/09/54/367790954.db2.gz YUPCGRGDUZIWOI-ZDUSSCGKSA-N 2 2 252.362 0.856 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2cn[nH]c2)C1 ZINC000624212256 367790961 /nfs/dbraw/zinc/79/09/61/367790961.db2.gz YUPCGRGDUZIWOI-ZDUSSCGKSA-N 2 2 252.362 0.856 20 0 CCADLP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624227499 367794732 /nfs/dbraw/zinc/79/47/32/367794732.db2.gz RVNPBALVOGLHOQ-LSDHHAIUSA-N 2 2 297.443 0.824 20 0 CCADLP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624227499 367794735 /nfs/dbraw/zinc/79/47/35/367794735.db2.gz RVNPBALVOGLHOQ-LSDHHAIUSA-N 2 2 297.443 0.824 20 0 CCADLP C[C@@H](CNC(=O)C[NH+]1CC(C)(C)C1)Cn1cc[nH+]c1 ZINC000566444393 291407051 /nfs/dbraw/zinc/40/70/51/291407051.db2.gz FOTRWLSHKJWRNA-LBPRGKRZSA-N 2 2 264.373 0.977 20 0 CCADLP C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C(=O)NCC[NH+](C)C ZINC000566462993 291412469 /nfs/dbraw/zinc/41/24/69/291412469.db2.gz SAWDCJLNWROPOW-NWDGAFQWSA-N 2 2 295.387 0.017 20 0 CCADLP COc1cncc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)n1 ZINC000625164431 368088527 /nfs/dbraw/zinc/08/85/27/368088527.db2.gz DSXRMXFWZXSMRZ-LLVKDONJSA-N 2 2 250.346 0.869 20 0 CCADLP COc1cncc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)n1 ZINC000625164431 368088528 /nfs/dbraw/zinc/08/85/28/368088528.db2.gz DSXRMXFWZXSMRZ-LLVKDONJSA-N 2 2 250.346 0.869 20 0 CCADLP Cn1c2ccccc2[nH+]c1N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000566489345 291417287 /nfs/dbraw/zinc/41/72/87/291417287.db2.gz KPXWAHPVXKPYIK-GHMZBOCLSA-N 2 2 285.351 0.322 20 0 CCADLP Cc1cc(C)c(CNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])c[nH+]1 ZINC000566561533 291423527 /nfs/dbraw/zinc/42/35/27/291423527.db2.gz ITEKGUBPBDRRRA-PWSUYJOCSA-N 2 2 292.383 0.557 20 0 CCADLP C[C@H]1C[N@H+](CCN2CC[NH+](CCCF)CC2)CCO1 ZINC000626070260 368421778 /nfs/dbraw/zinc/42/17/78/368421778.db2.gz GMIBEJUBZBKNGP-AWEZNQCLSA-N 2 2 273.396 0.684 20 0 CCADLP C[C@H]1C[N@@H+](CCN2CC[NH+](CCCF)CC2)CCO1 ZINC000626070260 368421781 /nfs/dbraw/zinc/42/17/81/368421781.db2.gz GMIBEJUBZBKNGP-AWEZNQCLSA-N 2 2 273.396 0.684 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC([NH+](C)C)C1)CC2 ZINC000626301679 368509925 /nfs/dbraw/zinc/50/99/25/368509925.db2.gz REFHSTVLDWLZNO-LLVKDONJSA-N 2 2 262.357 0.526 20 0 CCADLP O=C(NCC[N@H+]1CC[C@@H](O)C1)Nc1ccn2cc[nH+]c2c1 ZINC000626548341 368576906 /nfs/dbraw/zinc/57/69/06/368576906.db2.gz DFPXGDPLNAQTBW-GFCCVEGCSA-N 2 2 289.339 0.522 20 0 CCADLP O=C(NCC[N@@H+]1CC[C@@H](O)C1)Nc1ccn2cc[nH+]c2c1 ZINC000626548341 368576910 /nfs/dbraw/zinc/57/69/10/368576910.db2.gz DFPXGDPLNAQTBW-GFCCVEGCSA-N 2 2 289.339 0.522 20 0 CCADLP C[C@H](C(=O)NC(C)(C)c1[nH]cc[nH+]1)N1CC[NH+](C)CC1 ZINC000574212516 335001267 /nfs/dbraw/zinc/00/12/67/335001267.db2.gz AEOBWZIOEVHJPU-LLVKDONJSA-N 2 2 279.388 0.397 20 0 CCADLP CCN(CC[NH3+])C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000626921236 368679453 /nfs/dbraw/zinc/67/94/53/368679453.db2.gz VAVDQCSBVRJABQ-UHFFFAOYSA-N 2 2 272.393 0.087 20 0 CCADLP C[C@@H](C[NH2+][C@@H](C)c1ccc(=O)[nH]n1)C[NH+]1CCOCC1 ZINC000330606772 203029705 /nfs/dbraw/zinc/02/97/05/203029705.db2.gz JBQXZTJCECQXOR-RYUDHWBXSA-N 2 2 280.372 0.801 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[NH2+][C@H]2C)c2[nH+]ccn21 ZINC000627052737 368758877 /nfs/dbraw/zinc/75/88/77/368758877.db2.gz STTKESYUTDCMRT-LMLFDSFASA-N 2 2 263.345 0.939 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000627078346 368775672 /nfs/dbraw/zinc/77/56/72/368775672.db2.gz NMILKIVRSZGKSQ-UONOGXRCSA-N 2 2 292.383 0.316 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000627078346 368775679 /nfs/dbraw/zinc/77/56/79/368775679.db2.gz NMILKIVRSZGKSQ-UONOGXRCSA-N 2 2 292.383 0.316 20 0 CCADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000422979436 296127799 /nfs/dbraw/zinc/12/77/99/296127799.db2.gz MSQIFBHWOHSGNU-RBSFLKMASA-N 3 2 269.433 0.667 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627070564 368769289 /nfs/dbraw/zinc/76/92/89/368769289.db2.gz BYCGEDIZJUORNB-LBPRGKRZSA-N 2 2 272.393 0.004 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000627070564 368769290 /nfs/dbraw/zinc/76/92/90/368769290.db2.gz BYCGEDIZJUORNB-LBPRGKRZSA-N 2 2 272.393 0.004 20 0 CCADLP C[C@H]1C[C@H](NC(=O)NCCOCCC[NH3+])c2[nH+]ccn21 ZINC000627052274 368757696 /nfs/dbraw/zinc/75/76/96/368757696.db2.gz MXOPDYYUWANPTK-QWRGUYRKSA-N 2 2 281.360 0.554 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000627141690 368820669 /nfs/dbraw/zinc/82/06/69/368820669.db2.gz CAXWQPDXOMPJKH-LLVKDONJSA-N 2 2 259.313 0.519 20 0 CCADLP [NH3+]CCCOCCNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000627212989 368884211 /nfs/dbraw/zinc/88/42/11/368884211.db2.gz DDKRFPMRBJLUIK-UHFFFAOYSA-N 2 2 295.387 0.664 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCCC[N@@H+](C)CCN(C)C ZINC000627321705 368954508 /nfs/dbraw/zinc/95/45/08/368954508.db2.gz WLHHRZWNVANGAJ-UHFFFAOYSA-N 2 2 281.404 0.191 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCCC[N@H+](C)CCN(C)C ZINC000627321705 368954515 /nfs/dbraw/zinc/95/45/15/368954515.db2.gz WLHHRZWNVANGAJ-UHFFFAOYSA-N 2 2 281.404 0.191 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCCCN(C)CC[NH+](C)C ZINC000627321705 368954519 /nfs/dbraw/zinc/95/45/19/368954519.db2.gz WLHHRZWNVANGAJ-UHFFFAOYSA-N 2 2 281.404 0.191 20 0 CCADLP Cc1ccc(CCNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])nc1 ZINC000574261502 335004804 /nfs/dbraw/zinc/00/48/04/335004804.db2.gz NQIDHCFIYGPWNV-AWEZNQCLSA-N 2 2 291.399 0.217 20 0 CCADLP Cc1ccc(CCNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])nc1 ZINC000574261502 335004806 /nfs/dbraw/zinc/00/48/06/335004806.db2.gz NQIDHCFIYGPWNV-AWEZNQCLSA-N 2 2 291.399 0.217 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NCC1([NH+](C)C)CC1)CC2 ZINC000627777920 369097879 /nfs/dbraw/zinc/09/78/79/369097879.db2.gz WCIMOXYWLUVYEF-GFCCVEGCSA-N 2 2 276.384 0.964 20 0 CCADLP O=C1NCC[C@@H]1CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000574336195 335011496 /nfs/dbraw/zinc/01/14/96/335011496.db2.gz LALIJZQXTBGHDN-LLVKDONJSA-N 2 2 263.345 0.058 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N(C)CC1C[NH+](C)C1)CC2 ZINC000628077053 369178256 /nfs/dbraw/zinc/17/82/56/369178256.db2.gz ONDZYEKBAFZUKY-ZDUSSCGKSA-N 2 2 276.384 0.774 20 0 CCADLP Cc1c[nH]c(CN2CC[N@H+](CCO)C(C)(C)C2)[nH+]1 ZINC000628243901 369223210 /nfs/dbraw/zinc/22/32/10/369223210.db2.gz LPEZUSCPVFQUOM-UHFFFAOYSA-N 2 2 252.362 0.607 20 0 CCADLP Cc1c[nH]c(CN2CC[N@@H+](CCO)C(C)(C)C2)[nH+]1 ZINC000628243901 369223213 /nfs/dbraw/zinc/22/32/13/369223213.db2.gz LPEZUSCPVFQUOM-UHFFFAOYSA-N 2 2 252.362 0.607 20 0 CCADLP Cc1[nH]c(CN2CC[NH+]([C@@H]3CCOC3)CC2)[nH+]c1C ZINC000628338398 369243668 /nfs/dbraw/zinc/24/36/68/369243668.db2.gz JCOPJSLPXBEBAO-CYBMUJFWSA-N 2 2 264.373 0.933 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)Nc2ccnn2CC[NH+](C)C)[N@H+](C)C1 ZINC000330805735 203258431 /nfs/dbraw/zinc/25/84/31/203258431.db2.gz JSLDESOCSFBQEB-RYUDHWBXSA-N 2 2 295.387 0.102 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)Nc2ccnn2CC[NH+](C)C)[N@@H+](C)C1 ZINC000330805735 203258433 /nfs/dbraw/zinc/25/84/33/203258433.db2.gz JSLDESOCSFBQEB-RYUDHWBXSA-N 2 2 295.387 0.102 20 0 CCADLP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2C)cc1 ZINC000628923414 369470853 /nfs/dbraw/zinc/47/08/53/369470853.db2.gz VGGUHVYHFPWDFM-OAHLLOKOSA-N 2 2 291.395 0.809 20 0 CCADLP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2COCC[N@H+]2C)cc1 ZINC000628923414 369470856 /nfs/dbraw/zinc/47/08/56/369470856.db2.gz VGGUHVYHFPWDFM-OAHLLOKOSA-N 2 2 291.395 0.809 20 0 CCADLP C[C@H](c1nnnn1C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000276229302 193251102 /nfs/dbraw/zinc/25/11/02/193251102.db2.gz MXZZKOKRDKHYHW-NXEZZACHSA-N 2 2 261.333 0.874 20 0 CCADLP C[C@H](c1nnnn1C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000276229302 193251103 /nfs/dbraw/zinc/25/11/03/193251103.db2.gz MXZZKOKRDKHYHW-NXEZZACHSA-N 2 2 261.333 0.874 20 0 CCADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H]3CC(C(N)=O)=NO3)n2c1 ZINC000276410953 193320686 /nfs/dbraw/zinc/32/06/86/193320686.db2.gz GYBCMYHDHUAATB-NSHDSACASA-N 2 2 287.323 0.363 20 0 CCADLP CC(C)NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629568137 369713876 /nfs/dbraw/zinc/71/38/76/369713876.db2.gz RPMQOACFLXYVHN-UWVGGRQHSA-N 2 2 281.322 0.970 20 0 CCADLP CC(C)NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629568137 369713881 /nfs/dbraw/zinc/71/38/81/369713881.db2.gz RPMQOACFLXYVHN-UWVGGRQHSA-N 2 2 281.322 0.970 20 0 CCADLP C[NH2+]CCOCC[N@H+](C)Cc1cn(-c2ccccc2)nn1 ZINC000629570330 369716431 /nfs/dbraw/zinc/71/64/31/369716431.db2.gz CHRNDVGUYQMVRN-UHFFFAOYSA-N 2 2 289.383 0.935 20 0 CCADLP C[NH2+]CCOCC[N@@H+](C)Cc1cn(-c2ccccc2)nn1 ZINC000629570330 369716433 /nfs/dbraw/zinc/71/64/33/369716433.db2.gz CHRNDVGUYQMVRN-UHFFFAOYSA-N 2 2 289.383 0.935 20 0 CCADLP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000629452472 369672668 /nfs/dbraw/zinc/67/26/68/369672668.db2.gz OTBAFAQZDLPZTN-MNOVXSKESA-N 2 2 262.357 0.725 20 0 CCADLP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000629452472 369672674 /nfs/dbraw/zinc/67/26/74/369672674.db2.gz OTBAFAQZDLPZTN-MNOVXSKESA-N 2 2 262.357 0.725 20 0 CCADLP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000629452472 369672675 /nfs/dbraw/zinc/67/26/75/369672675.db2.gz OTBAFAQZDLPZTN-MNOVXSKESA-N 2 2 262.357 0.725 20 0 CCADLP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000629452472 369672680 /nfs/dbraw/zinc/67/26/80/369672680.db2.gz OTBAFAQZDLPZTN-MNOVXSKESA-N 2 2 262.357 0.725 20 0 CCADLP CC(=O)Nc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cn1 ZINC000629578475 369720677 /nfs/dbraw/zinc/72/06/77/369720677.db2.gz CPAKWBYTIFIRTH-CQSZACIVSA-N 2 2 292.383 0.586 20 0 CCADLP C[C@@H](CNC(=O)C=Cc1c[nH]c[nH+]1)C[NH+]1CCN(C)CC1 ZINC000276572994 193386416 /nfs/dbraw/zinc/38/64/16/193386416.db2.gz KQKAMMJVWBYNPN-OOPCZODUSA-N 2 2 291.399 0.423 20 0 CCADLP Cn1ccc(C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1 ZINC000629649496 369747631 /nfs/dbraw/zinc/74/76/31/369747631.db2.gz CLLFNHQSWBTJMU-UONOGXRCSA-N 2 2 259.357 0.685 20 0 CCADLP Cn1ccc(C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1 ZINC000629649496 369747632 /nfs/dbraw/zinc/74/76/32/369747632.db2.gz CLLFNHQSWBTJMU-UONOGXRCSA-N 2 2 259.357 0.685 20 0 CCADLP OC[C@@H](CC(F)(F)F)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629583935 369728284 /nfs/dbraw/zinc/72/82/84/369728284.db2.gz LTEFDUIMZOCDLO-ZJUUUORDSA-N 2 2 270.295 0.346 20 0 CCADLP CC(C)(C)NC(=O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584889 369728707 /nfs/dbraw/zinc/72/87/07/369728707.db2.gz WJIGKGPMFZCHTI-OKILXGFUSA-N 2 2 253.390 0.833 20 0 CCADLP CC(C)(C)NC(=O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584889 369728709 /nfs/dbraw/zinc/72/87/09/369728709.db2.gz WJIGKGPMFZCHTI-OKILXGFUSA-N 2 2 253.390 0.833 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)C1CCC1 ZINC000629969233 369861200 /nfs/dbraw/zinc/86/12/00/369861200.db2.gz AORSGUTWYRRWRN-AWEZNQCLSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)C1CCC1 ZINC000629969233 369861203 /nfs/dbraw/zinc/86/12/03/369861203.db2.gz AORSGUTWYRRWRN-AWEZNQCLSA-N 2 2 281.400 0.404 20 0 CCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C[N@H+](C)C1CCC1 ZINC000629992615 369877689 /nfs/dbraw/zinc/87/76/89/369877689.db2.gz VCCCXPOUMIZLPI-ZFWWWQNUSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C[N@@H+](C)C1CCC1 ZINC000629992615 369877693 /nfs/dbraw/zinc/87/76/93/369877693.db2.gz VCCCXPOUMIZLPI-ZFWWWQNUSA-N 2 2 295.427 0.792 20 0 CCADLP C[NH2+]C1(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CCC1 ZINC000630002420 369885830 /nfs/dbraw/zinc/88/58/30/369885830.db2.gz XBUGAGPYIHQQLR-AWEZNQCLSA-N 2 2 295.427 0.888 20 0 CCADLP C[NH2+]C1(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CCC1 ZINC000630002420 369885834 /nfs/dbraw/zinc/88/58/34/369885834.db2.gz XBUGAGPYIHQQLR-AWEZNQCLSA-N 2 2 295.427 0.888 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCn1cc(Cn2cc[nH+]c2)nn1 ZINC000630611151 370209885 /nfs/dbraw/zinc/20/98/85/370209885.db2.gz BCRDYNRNKJWQTD-UHFFFAOYSA-N 3 2 291.403 0.406 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCn1cc(Cn2cc[nH+]c2)nn1 ZINC000630611151 370209887 /nfs/dbraw/zinc/20/98/87/370209887.db2.gz BCRDYNRNKJWQTD-UHFFFAOYSA-N 3 2 291.403 0.406 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCn1cc(Cn2ccnc2)nn1 ZINC000630611151 370209891 /nfs/dbraw/zinc/20/98/91/370209891.db2.gz BCRDYNRNKJWQTD-UHFFFAOYSA-N 2 2 291.403 0.406 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCn1cc(Cn2ccnc2)nn1 ZINC000630611151 370209893 /nfs/dbraw/zinc/20/98/93/370209893.db2.gz BCRDYNRNKJWQTD-UHFFFAOYSA-N 2 2 291.403 0.406 20 0 CCADLP CC[C@H]([NH3+])c1cn(CC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000630612293 370210062 /nfs/dbraw/zinc/21/00/62/370210062.db2.gz UCEGZNQWUJNLSE-LBPRGKRZSA-N 3 2 268.409 0.571 20 0 CCADLP CC[C@H]([NH3+])c1cn(CC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000630612293 370210066 /nfs/dbraw/zinc/21/00/66/370210066.db2.gz UCEGZNQWUJNLSE-LBPRGKRZSA-N 3 2 268.409 0.571 20 0 CCADLP COC1CC[NH+](Cc2cn(CCC[NH+](C)C)nn2)CC1 ZINC000630586550 370190595 /nfs/dbraw/zinc/19/05/95/370190595.db2.gz ZJDSBXMRQGTJIM-UHFFFAOYSA-N 2 2 281.404 0.841 20 0 CCADLP Cc1nc(NCC2([NH+](C)C)CCCCC2)nc(N)[nH+]1 ZINC000631037272 370365557 /nfs/dbraw/zinc/36/55/57/370365557.db2.gz PKIDPBUHIKSWNP-UHFFFAOYSA-N 2 2 264.377 0.691 20 0 CCADLP Cc1nc(NC[C@H](CC(C)C)[NH+](C)C)nc(N)[nH+]1 ZINC000631050705 370368017 /nfs/dbraw/zinc/36/80/17/370368017.db2.gz KEOAMUJLUPGKPR-JTQLQIEISA-N 2 2 252.366 0.403 20 0 CCADLP COc1cncc(C[NH2+]C[C@](C)(O)C[NH+](C)C)c1C ZINC000631100358 370383942 /nfs/dbraw/zinc/38/39/42/370383942.db2.gz SYIHMOCFCJOPQL-AWEZNQCLSA-N 2 2 267.373 0.801 20 0 CCADLP C[C@H]([NH2+][C@H]1CC(=O)N([C@H]2C[C@H]2C)C1)[C@@H]1CCC[NH2+]1 ZINC000422918352 299414523 /nfs/dbraw/zinc/41/45/23/299414523.db2.gz HCTOJCCKQSKMFW-MOLYVOAJSA-N 2 2 251.374 0.726 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCCc2c[nH+]cn2C)CC[N@@H+]1C ZINC000632390672 371029074 /nfs/dbraw/zinc/02/90/74/371029074.db2.gz GYHCZIFSUFPKTQ-QWHCGFSZSA-N 2 2 264.373 0.809 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCCc2c[nH+]cn2C)CC[N@H+]1C ZINC000632390672 371029079 /nfs/dbraw/zinc/02/90/79/371029079.db2.gz GYHCZIFSUFPKTQ-QWHCGFSZSA-N 2 2 264.373 0.809 20 0 CCADLP CN(CC[NH+]1CCCC1)C(=O)CCc1[nH]cc[nH+]1 ZINC000331629118 204026846 /nfs/dbraw/zinc/02/68/46/204026846.db2.gz IBEQECQDZWFUCF-UHFFFAOYSA-N 2 2 250.346 0.897 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N2CCn3c[nH+]cc3C2)CC[N@@H+]1C ZINC000633140478 371411669 /nfs/dbraw/zinc/41/16/69/371411669.db2.gz SZLCJQZXEUCZCT-QWHCGFSZSA-N 2 2 262.357 0.956 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N2CCn3c[nH+]cc3C2)CC[N@H+]1C ZINC000633140478 371411676 /nfs/dbraw/zinc/41/16/76/371411676.db2.gz SZLCJQZXEUCZCT-QWHCGFSZSA-N 2 2 262.357 0.956 20 0 CCADLP CCN(C)C(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374323666 284274236 /nfs/dbraw/zinc/27/42/36/284274236.db2.gz ISYWPUKUKYPKPU-LSDHHAIUSA-N 2 2 296.459 0.423 20 0 CCADLP CCN(C)C(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374323666 284274237 /nfs/dbraw/zinc/27/42/37/284274237.db2.gz ISYWPUKUKYPKPU-LSDHHAIUSA-N 2 2 296.459 0.423 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2C[C@H](C)OC[C@H]2C)CC[N@@H+]1C ZINC000633616030 371631527 /nfs/dbraw/zinc/63/15/27/371631527.db2.gz BYFIOUMLCYMHEH-CBBWQLFWSA-N 2 2 297.443 0.942 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2C[C@H](C)OC[C@H]2C)CC[N@H+]1C ZINC000633616030 371631530 /nfs/dbraw/zinc/63/15/30/371631530.db2.gz BYFIOUMLCYMHEH-CBBWQLFWSA-N 2 2 297.443 0.942 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)CC[NH+]1C ZINC000633616030 371631533 /nfs/dbraw/zinc/63/15/33/371631533.db2.gz BYFIOUMLCYMHEH-CBBWQLFWSA-N 2 2 297.443 0.942 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)CC[NH+]1C ZINC000633616030 371631537 /nfs/dbraw/zinc/63/15/37/371631537.db2.gz BYFIOUMLCYMHEH-CBBWQLFWSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@@H](O)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634193912 371944319 /nfs/dbraw/zinc/94/43/19/371944319.db2.gz NSNSZAKSSUHDIO-SNVBAGLBSA-N 2 2 264.329 0.153 20 0 CCADLP CO[C@@H]1CN(c2cc(-n3cc[nH+]c3)ncn2)[C@](C)(C[NH3+])C1 ZINC000634238405 371962737 /nfs/dbraw/zinc/96/27/37/371962737.db2.gz CVIZTFPHFQWVSN-FZMZJTMJSA-N 2 2 288.355 0.605 20 0 CCADLP O=c1c2c([nH]n1CC[NH+]1CCCCC1)CC[NH2+]C2 ZINC000634592840 372089161 /nfs/dbraw/zinc/08/91/61/372089161.db2.gz WKTCKPBZQAXANS-LLVKDONJSA-N 2 2 250.346 0.280 20 0 CCADLP C[N@@H+]1CCC[C@H]([NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)C1 ZINC000634703688 372149071 /nfs/dbraw/zinc/14/90/71/372149071.db2.gz ZVTCMHRLHBPOIQ-IHRRRGAJSA-N 2 2 256.390 0.582 20 0 CCADLP C[N@H+]1CCC[C@H]([NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)C1 ZINC000634703688 372149076 /nfs/dbraw/zinc/14/90/76/372149076.db2.gz ZVTCMHRLHBPOIQ-IHRRRGAJSA-N 2 2 256.390 0.582 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000634708547 372153420 /nfs/dbraw/zinc/15/34/20/372153420.db2.gz WLSFIDVKOTXAEW-BQDHKBFISA-N 2 2 282.428 0.971 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000634708547 372153426 /nfs/dbraw/zinc/15/34/26/372153426.db2.gz WLSFIDVKOTXAEW-BQDHKBFISA-N 2 2 282.428 0.971 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)C1 ZINC000634708586 372153504 /nfs/dbraw/zinc/15/35/04/372153504.db2.gz WVOXJJSZGVELMJ-ZGKBOVNRSA-N 2 2 270.417 0.828 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)C1 ZINC000634708586 372153509 /nfs/dbraw/zinc/15/35/09/372153509.db2.gz WVOXJJSZGVELMJ-ZGKBOVNRSA-N 2 2 270.417 0.828 20 0 CCADLP [NH3+]CC1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000634808512 372249251 /nfs/dbraw/zinc/24/92/51/372249251.db2.gz VIJNBNPUYPWPEV-UHFFFAOYSA-N 2 2 258.329 0.837 20 0 CCADLP C[C@H]1C[C@H](Nc2cc(N3CCOCC3)nc[nH+]2)CC[NH2+]1 ZINC000634808632 372249638 /nfs/dbraw/zinc/24/96/38/372249638.db2.gz YDKYGPCEYPODAB-NWDGAFQWSA-N 2 2 277.372 0.866 20 0 CCADLP C[C@H]1C[C@H](Nc2cc(N3CCOCC3)[nH+]cn2)CC[NH2+]1 ZINC000634808632 372249643 /nfs/dbraw/zinc/24/96/43/372249643.db2.gz YDKYGPCEYPODAB-NWDGAFQWSA-N 2 2 277.372 0.866 20 0 CCADLP Cc1cc(N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)nc[nH+]1 ZINC000634810909 372254696 /nfs/dbraw/zinc/25/46/96/372254696.db2.gz MRZRQEVJBJNZMY-GFCCVEGCSA-N 2 2 273.344 0.677 20 0 CCADLP c1nc(N2CCC[C@H]3C[NH2+]CC[C@@H]32)c2c([nH+]1)NCCO2 ZINC000634812912 372257204 /nfs/dbraw/zinc/25/72/04/372257204.db2.gz UOAPYAVXYOSIPH-QWRGUYRKSA-N 2 2 275.356 0.859 20 0 CCADLP c1nc2c(c(N3CCC[C@H]4C[NH2+]CC[C@@H]43)[nH+]1)OCCN2 ZINC000634812912 372257210 /nfs/dbraw/zinc/25/72/10/372257210.db2.gz UOAPYAVXYOSIPH-QWRGUYRKSA-N 2 2 275.356 0.859 20 0 CCADLP COCC[N@H+](C)CCC[NH2+][C@H]1CCCS(=O)(=O)CC1 ZINC000634951611 372307773 /nfs/dbraw/zinc/30/77/73/372307773.db2.gz AYMIPVYLWOOZKS-ZDUSSCGKSA-N 2 2 292.445 0.512 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCS(=O)(=O)CC1 ZINC000634951611 372307777 /nfs/dbraw/zinc/30/77/77/372307777.db2.gz AYMIPVYLWOOZKS-ZDUSSCGKSA-N 2 2 292.445 0.512 20 0 CCADLP O=C1CC[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)CCN1 ZINC000634979588 372322103 /nfs/dbraw/zinc/32/21/03/372322103.db2.gz JDBRXRZTYQDDJP-LLVKDONJSA-N 2 2 262.357 0.978 20 0 CCADLP C[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)[C@@H]1CCC[NH2+]1 ZINC000635022992 372351720 /nfs/dbraw/zinc/35/17/20/372351720.db2.gz QRHNSIILDBZXTA-UBHSHLNASA-N 2 2 281.400 0.496 20 0 CCADLP C[C@H](C(=O)NCC(C)(C)[NH+]1CCOCC1)[NH+](C)C ZINC000635109627 372375748 /nfs/dbraw/zinc/37/57/48/372375748.db2.gz HOTQJFCQGMUOGO-LLVKDONJSA-N 2 2 257.378 0.164 20 0 CCADLP O=C(NCC[NH+]1CCOCC1)C12CCC[NH+](CCC1)C2 ZINC000635072188 372366339 /nfs/dbraw/zinc/36/63/39/372366339.db2.gz KODGZLJSICQZKQ-UHFFFAOYSA-N 2 2 281.400 0.311 20 0 CCADLP C[C@@H](NC(=O)[C@@H](C)[NH+](C)C)[C@H](C)[NH+]1CCOCC1 ZINC000635505626 372569887 /nfs/dbraw/zinc/56/98/87/372569887.db2.gz ADTZTBMXVWCXJD-GRYCIOLGSA-N 2 2 257.378 0.162 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000635518069 372581875 /nfs/dbraw/zinc/58/18/75/372581875.db2.gz VDYPVNRKJUNXSP-CYBMUJFWSA-N 2 2 294.399 0.532 20 0 CCADLP [NH3+][C@H]1CCCCCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000635529010 372591345 /nfs/dbraw/zinc/59/13/45/372591345.db2.gz ZIRBNDZYQPFSJP-LBPRGKRZSA-N 2 2 265.361 0.796 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635479994 372545681 /nfs/dbraw/zinc/54/56/81/372545681.db2.gz UVYDGIWMNWUZDY-OAHLLOKOSA-N 2 2 295.427 0.794 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635479994 372545688 /nfs/dbraw/zinc/54/56/88/372545688.db2.gz UVYDGIWMNWUZDY-OAHLLOKOSA-N 2 2 295.427 0.794 20 0 CCADLP C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+](C)C ZINC000635553276 372620198 /nfs/dbraw/zinc/62/01/98/372620198.db2.gz YPOXCCICDFMJGI-HIFRSBDPSA-N 3 2 296.459 0.563 20 0 CCADLP C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+](C)C ZINC000635553276 372620207 /nfs/dbraw/zinc/62/02/07/372620207.db2.gz YPOXCCICDFMJGI-HIFRSBDPSA-N 3 2 296.459 0.563 20 0 CCADLP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635577006 372651533 /nfs/dbraw/zinc/65/15/33/372651533.db2.gz YOBBLEHRXAEVER-QJPTWQEYSA-N 2 2 278.356 0.350 20 0 CCADLP CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635577006 372651539 /nfs/dbraw/zinc/65/15/39/372651539.db2.gz YOBBLEHRXAEVER-QJPTWQEYSA-N 2 2 278.356 0.350 20 0 CCADLP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635577006 372651549 /nfs/dbraw/zinc/65/15/49/372651549.db2.gz YOBBLEHRXAEVER-QJPTWQEYSA-N 2 2 278.356 0.350 20 0 CCADLP CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635577006 372651558 /nfs/dbraw/zinc/65/15/58/372651558.db2.gz YOBBLEHRXAEVER-QJPTWQEYSA-N 2 2 278.356 0.350 20 0 CCADLP CCC(C)(C)[C@@H](O)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000635669683 372745934 /nfs/dbraw/zinc/74/59/34/372745934.db2.gz VJSPNMLGDJVLAO-AWEZNQCLSA-N 2 2 299.459 0.926 20 0 CCADLP CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000333311551 205207506 /nfs/dbraw/zinc/20/75/06/205207506.db2.gz RWSDCIRFNOJDTH-AVGNSLFASA-N 2 2 268.405 0.910 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000635818755 372951070 /nfs/dbraw/zinc/95/10/70/372951070.db2.gz LGRVYVHPRMRPJQ-WUHRBBMRSA-N 2 2 292.383 0.427 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000635818755 372951078 /nfs/dbraw/zinc/95/10/78/372951078.db2.gz LGRVYVHPRMRPJQ-WUHRBBMRSA-N 2 2 292.383 0.427 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000635818755 372951088 /nfs/dbraw/zinc/95/10/88/372951088.db2.gz LGRVYVHPRMRPJQ-WUHRBBMRSA-N 2 2 292.383 0.427 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000635818755 372951093 /nfs/dbraw/zinc/95/10/93/372951093.db2.gz LGRVYVHPRMRPJQ-WUHRBBMRSA-N 2 2 292.383 0.427 20 0 CCADLP C[C@@H](NC(=O)N[C@H]1CCC[NH2+][C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000333436762 205317268 /nfs/dbraw/zinc/31/72/68/205317268.db2.gz VLINWCNJBICXIC-RFGFWPKPSA-N 2 2 298.431 0.535 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)n1C ZINC000333470206 205346947 /nfs/dbraw/zinc/34/69/47/205346947.db2.gz NKLMDANASRCNII-CQSZACIVSA-N 2 2 277.372 0.198 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)n1C ZINC000333470206 205346951 /nfs/dbraw/zinc/34/69/51/205346951.db2.gz NKLMDANASRCNII-CQSZACIVSA-N 2 2 277.372 0.198 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@H](CO)CC[NH+](CC)CC)[nH+]1 ZINC000635887697 373058142 /nfs/dbraw/zinc/05/81/42/373058142.db2.gz KGWIBRUMHVXIEM-ZDUSSCGKSA-N 2 2 296.415 0.724 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)[nH+]1 ZINC000635900629 373074736 /nfs/dbraw/zinc/07/47/36/373074736.db2.gz OXKSSBOMEMIAME-CYBMUJFWSA-N 2 2 291.399 0.021 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)[nH+]1 ZINC000635900629 373074745 /nfs/dbraw/zinc/07/47/45/373074745.db2.gz OXKSSBOMEMIAME-CYBMUJFWSA-N 2 2 291.399 0.021 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)[nH+]1 ZINC000635929587 373119048 /nfs/dbraw/zinc/11/90/48/373119048.db2.gz WTYHLCLGLOEYBU-QWHCGFSZSA-N 2 2 292.383 0.182 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)[nH+]1 ZINC000635929587 373119053 /nfs/dbraw/zinc/11/90/53/373119053.db2.gz WTYHLCLGLOEYBU-QWHCGFSZSA-N 2 2 292.383 0.182 20 0 CCADLP C[N@H+](CC(=O)N[C@H]1Cc2c[nH+]cn2C1)CC(C)(C)C ZINC000635987604 373210108 /nfs/dbraw/zinc/21/01/08/373210108.db2.gz WULPBRLZYSUOEU-NSHDSACASA-N 2 2 264.373 0.902 20 0 CCADLP C[N@@H+](CC(=O)N[C@H]1Cc2c[nH+]cn2C1)CC(C)(C)C ZINC000635987604 373210111 /nfs/dbraw/zinc/21/01/11/373210111.db2.gz WULPBRLZYSUOEU-NSHDSACASA-N 2 2 264.373 0.902 20 0 CCADLP C[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)[NH+](C)C ZINC000636162074 373419356 /nfs/dbraw/zinc/41/93/56/373419356.db2.gz VUEMKOLATMAVSZ-QWHCGFSZSA-N 3 2 272.437 0.325 20 0 CCADLP C[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)[NH+](C)C ZINC000636162074 373419364 /nfs/dbraw/zinc/41/93/64/373419364.db2.gz VUEMKOLATMAVSZ-QWHCGFSZSA-N 3 2 272.437 0.325 20 0 CCADLP CC[NH+]1CCC(CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1 ZINC000636718361 373721436 /nfs/dbraw/zinc/72/14/36/373721436.db2.gz ZTOXXORBMNJFHG-ZDUSSCGKSA-N 2 2 291.399 0.839 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC3(C)COC3)C2)CC1 ZINC000636791540 373760949 /nfs/dbraw/zinc/76/09/49/373760949.db2.gz ILNFLHCEQDSGJU-LBPRGKRZSA-N 2 2 296.415 0.243 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC3(C)COC3)C2)CC1 ZINC000636791540 373760952 /nfs/dbraw/zinc/76/09/52/373760952.db2.gz ILNFLHCEQDSGJU-LBPRGKRZSA-N 2 2 296.415 0.243 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC[NH2+]C1CC1 ZINC000637316707 374097665 /nfs/dbraw/zinc/09/76/65/374097665.db2.gz FRJWUYHEYRQVQX-OCCSQVGLSA-N 2 2 296.415 0.243 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000637445789 374169192 /nfs/dbraw/zinc/16/91/92/374169192.db2.gz LGKGFGYKTLTCQW-ZDUSSCGKSA-N 2 2 284.404 0.053 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000637445789 374169197 /nfs/dbraw/zinc/16/91/97/374169197.db2.gz LGKGFGYKTLTCQW-ZDUSSCGKSA-N 2 2 284.404 0.053 20 0 CCADLP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2COCC[NH+]2C)CC[N@@H+]1C ZINC000637448058 374174503 /nfs/dbraw/zinc/17/45/03/374174503.db2.gz SPJTVXOGXSYJNQ-MGPQQGTHSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2COCC[NH+]2C)CC[N@H+]1C ZINC000637448058 374174509 /nfs/dbraw/zinc/17/45/09/374174509.db2.gz SPJTVXOGXSYJNQ-MGPQQGTHSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2COCC[N@@H+]2C)CC[NH+]1C ZINC000637448058 374174512 /nfs/dbraw/zinc/17/45/12/374174512.db2.gz SPJTVXOGXSYJNQ-MGPQQGTHSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2COCC[N@H+]2C)CC[NH+]1C ZINC000637448058 374174516 /nfs/dbraw/zinc/17/45/16/374174516.db2.gz SPJTVXOGXSYJNQ-MGPQQGTHSA-N 2 2 298.431 0.441 20 0 CCADLP [NH3+]CCNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000637796865 374321140 /nfs/dbraw/zinc/32/11/40/374321140.db2.gz AQCOHJHSWVIKHN-SSDOTTSWSA-N 2 2 250.224 0.452 20 0 CCADLP CC[NH2+]CCCNC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000637808884 374339307 /nfs/dbraw/zinc/33/93/07/374339307.db2.gz HSWJWCPRFFKZGI-LBPRGKRZSA-N 2 2 264.373 0.870 20 0 CCADLP C[C@H]([N@H+](CCO)C1CC[NH+](C)CC1)C(C)(C)n1cncn1 ZINC000637815507 374350402 /nfs/dbraw/zinc/35/04/02/374350402.db2.gz USMAXFPMJKXOHI-ZDUSSCGKSA-N 2 2 295.431 0.790 20 0 CCADLP C[C@H]([N@@H+](CCO)C1CC[NH+](C)CC1)C(C)(C)n1cncn1 ZINC000637815507 374350403 /nfs/dbraw/zinc/35/04/03/374350403.db2.gz USMAXFPMJKXOHI-ZDUSSCGKSA-N 2 2 295.431 0.790 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000637847866 374402132 /nfs/dbraw/zinc/40/21/32/374402132.db2.gz PQLVKPYRUMEESZ-CABZTGNLSA-N 2 2 250.346 0.846 20 0 CCADLP Nc1nc(N)c(CN2CCC[N@@H+](C3CCCC3)CC2)c[nH+]1 ZINC000637992634 374538115 /nfs/dbraw/zinc/53/81/15/374538115.db2.gz SWDAREJITIAUGA-UHFFFAOYSA-N 2 2 290.415 0.752 20 0 CCADLP Nc1nc(N)c(CN2CCC[N@H+](C3CCCC3)CC2)c[nH+]1 ZINC000637992634 374538121 /nfs/dbraw/zinc/53/81/21/374538121.db2.gz SWDAREJITIAUGA-UHFFFAOYSA-N 2 2 290.415 0.752 20 0 CCADLP Nc1nc(N)c(CN2CCCC[C@@H]([NH+]3CCCC3)C2)c[nH+]1 ZINC000637997279 374542231 /nfs/dbraw/zinc/54/22/31/374542231.db2.gz ZNLKSQPMCBYXHQ-CYBMUJFWSA-N 2 2 290.415 0.752 20 0 CCADLP [NH3+][C@H]1CC=C(C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000638047376 374590361 /nfs/dbraw/zinc/59/03/61/374590361.db2.gz GBRRYKJIIPAIGW-ZDUSSCGKSA-N 2 2 272.352 0.778 20 0 CCADLP [NH3+]C[C@@]1(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CCCOC1 ZINC000638077425 374633090 /nfs/dbraw/zinc/63/30/90/374633090.db2.gz SHRCMOHSAALLCG-WFASDCNBSA-N 2 2 292.383 0.871 20 0 CCADLP COc1cc[nH+]cc1NC(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638091511 374652532 /nfs/dbraw/zinc/65/25/32/374652532.db2.gz WUNPZRFLIXCXLK-TVQRCGJNSA-N 2 2 265.313 0.796 20 0 CCADLP CC(C)CC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000638091003 374652845 /nfs/dbraw/zinc/65/28/45/374652845.db2.gz NQMWVZQNPNJKKK-ZDUSSCGKSA-N 2 2 285.432 0.977 20 0 CCADLP CC(C)CC[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000638091003 374652849 /nfs/dbraw/zinc/65/28/49/374652849.db2.gz NQMWVZQNPNJKKK-ZDUSSCGKSA-N 2 2 285.432 0.977 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)CN3CC[NH2+]CC3)cn21 ZINC000638111772 374677516 /nfs/dbraw/zinc/67/75/16/374677516.db2.gz HHJQHGKFOZOXGI-UHFFFAOYSA-N 2 2 287.367 0.164 20 0 CCADLP Cc1cccn2cc(CNC(=O)[C@@]3(C)C[NH2+]CCO3)[nH+]c12 ZINC000638111776 374678284 /nfs/dbraw/zinc/67/82/84/374678284.db2.gz HIKGMDIFCOXYTB-OAHLLOKOSA-N 2 2 288.351 0.637 20 0 CCADLP COC[C@@]1(C(=O)NCc2[nH]c[nH+]c2C)CCCC[NH2+]1 ZINC000638133091 374703121 /nfs/dbraw/zinc/70/31/21/374703121.db2.gz PZNZDURQGAKKDJ-CYBMUJFWSA-N 2 2 266.345 0.493 20 0 CCADLP CO[C@@]1(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CCOC1 ZINC000638120357 374686651 /nfs/dbraw/zinc/68/66/51/374686651.db2.gz ZBLKTVBMCWMIJX-LSDHHAIUSA-N 2 2 284.400 0.446 20 0 CCADLP CO[C@@]1(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CCOC1 ZINC000638120357 374686656 /nfs/dbraw/zinc/68/66/56/374686656.db2.gz ZBLKTVBMCWMIJX-LSDHHAIUSA-N 2 2 284.400 0.446 20 0 CCADLP CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2[nH]c[nH+]c2C)C1 ZINC000638135087 374704546 /nfs/dbraw/zinc/70/45/46/374704546.db2.gz ZOALGTSQLUQGKZ-SKDRFNHKSA-N 2 2 252.318 0.101 20 0 CCADLP CCc1c[nH]c(CC(=O)N2C[C@H](C[NH3+])C[C@H]2C)[nH+]1 ZINC000638145620 374716083 /nfs/dbraw/zinc/71/60/83/374716083.db2.gz MGKXXAOPKZFTGE-ZJUUUORDSA-N 2 2 250.346 0.710 20 0 CCADLP CC[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1[NH3+] ZINC000638209169 374797311 /nfs/dbraw/zinc/79/73/11/374797311.db2.gz WPOPUTVJLQJTDY-GHMZBOCLSA-N 2 2 250.346 0.846 20 0 CCADLP COc1cccc(C[C@H]([NH3+])C(=O)NCc2c[nH+]c[nH]2)c1 ZINC000638280410 374885674 /nfs/dbraw/zinc/88/56/74/374885674.db2.gz AHTOLQQTCCOARB-ZDUSSCGKSA-N 2 2 274.324 0.605 20 0 CCADLP COc1cccc(C[C@H]([NH3+])C(=O)NCc2c[nH]c[nH+]2)c1 ZINC000638280410 374885677 /nfs/dbraw/zinc/88/56/77/374885677.db2.gz AHTOLQQTCCOARB-ZDUSSCGKSA-N 2 2 274.324 0.605 20 0 CCADLP CC(C)C[C@@H](CNCc1c[nH+]c(N)nc1N)[NH+](C)C ZINC000638349255 374947716 /nfs/dbraw/zinc/94/77/16/374947716.db2.gz IRWZPNWITRLBHD-NSHDSACASA-N 2 2 266.393 0.368 20 0 CCADLP Cc1cc(CNC(=O)[C@H](C)N2CC[NH2+]CC2=O)cc(C)[nH+]1 ZINC000638354626 374952869 /nfs/dbraw/zinc/95/28/69/374952869.db2.gz RNMKTXPHXGLHDQ-LBPRGKRZSA-N 2 2 290.367 0.135 20 0 CCADLP C[C@H]1CCC[N@H+](CC[NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000638363179 374959184 /nfs/dbraw/zinc/95/91/84/374959184.db2.gz KQAFQBBXDNJNHQ-STQMWFEESA-N 2 2 253.390 0.977 20 0 CCADLP C[C@H]1CCC[N@@H+](CC[NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000638363179 374959188 /nfs/dbraw/zinc/95/91/88/374959188.db2.gz KQAFQBBXDNJNHQ-STQMWFEESA-N 2 2 253.390 0.977 20 0 CCADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cnc(N)nc2N)C1 ZINC000638370832 374967593 /nfs/dbraw/zinc/96/75/93/374967593.db2.gz MWTFFMBURHKGHA-VXGBXAGGSA-N 2 2 292.431 0.759 20 0 CCADLP COC[C@]1(C(=O)N(C)Cc2c[nH+]c[nH]2)CCCC[NH2+]1 ZINC000638402695 374999679 /nfs/dbraw/zinc/99/96/79/374999679.db2.gz OHIQOUKDTKBRBT-ZDUSSCGKSA-N 2 2 266.345 0.527 20 0 CCADLP COC[C@]1(C(=O)N(C)Cc2c[nH]c[nH+]2)CCCC[NH2+]1 ZINC000638402695 374999685 /nfs/dbraw/zinc/99/96/85/374999685.db2.gz OHIQOUKDTKBRBT-ZDUSSCGKSA-N 2 2 266.345 0.527 20 0 CCADLP C[C@H]1CCC[N@@H+](C(C)(C)CNCc2c[nH+]c(N)nc2N)C1 ZINC000638409864 375007100 /nfs/dbraw/zinc/00/71/00/375007100.db2.gz QZYCUXFZOHKZCD-NSHDSACASA-N 2 2 292.431 0.902 20 0 CCADLP C[C@H]1CCC[N@H+](C(C)(C)CNCc2c[nH+]c(N)nc2N)C1 ZINC000638409864 375007105 /nfs/dbraw/zinc/00/71/05/375007105.db2.gz QZYCUXFZOHKZCD-NSHDSACASA-N 2 2 292.431 0.902 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638425925 375022730 /nfs/dbraw/zinc/02/27/30/375022730.db2.gz ILYPXXCNDBPHKZ-WDMOLILDSA-N 2 2 280.372 0.847 20 0 CCADLP COCCC1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000638468651 375070302 /nfs/dbraw/zinc/07/03/02/375070302.db2.gz VBNKCRWYGLLHGL-ZDUSSCGKSA-N 2 2 271.405 0.541 20 0 CCADLP COCC[N@H+](C)CC[NH2+]C[C@H](OC)[C@H]1CCOC1 ZINC000638483346 375076677 /nfs/dbraw/zinc/07/66/77/375076677.db2.gz KBQBIDPFNZODFF-STQMWFEESA-N 2 2 260.378 0.206 20 0 CCADLP COCC[N@@H+](C)CC[NH2+]C[C@H](OC)[C@H]1CCOC1 ZINC000638483346 375076683 /nfs/dbraw/zinc/07/66/83/375076683.db2.gz KBQBIDPFNZODFF-STQMWFEESA-N 2 2 260.378 0.206 20 0 CCADLP CCN(CC[NH3+])C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000638519346 375112077 /nfs/dbraw/zinc/11/20/77/375112077.db2.gz XTGNXEUYSHUZCM-CYBMUJFWSA-N 2 2 269.389 0.437 20 0 CCADLP CCN(CC[NH3+])C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000638519346 375112085 /nfs/dbraw/zinc/11/20/85/375112085.db2.gz XTGNXEUYSHUZCM-CYBMUJFWSA-N 2 2 269.389 0.437 20 0 CCADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc(N)nc2N)C1 ZINC000638451415 375056231 /nfs/dbraw/zinc/05/62/31/375056231.db2.gz NOVMGGQFVYEYHR-JTQLQIEISA-N 2 2 264.377 0.123 20 0 CCADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(N)nc2N)C1 ZINC000638451415 375056236 /nfs/dbraw/zinc/05/62/36/375056236.db2.gz NOVMGGQFVYEYHR-JTQLQIEISA-N 2 2 264.377 0.123 20 0 CCADLP CC(C)(O)C[NH+]1CCC([NH2+]CCCS(C)(=O)=O)CC1 ZINC000638552904 375138735 /nfs/dbraw/zinc/13/87/35/375138735.db2.gz ZPXCMNPTWDLELY-UHFFFAOYSA-N 2 2 292.445 0.246 20 0 CCADLP Cc1cc(NCCNC(=O)[C@@H]([NH3+])C(C)C)nc(C(C)C)[nH+]1 ZINC000638582742 375162750 /nfs/dbraw/zinc/16/27/50/375162750.db2.gz CCNPEKYOLMSRMY-ZDUSSCGKSA-N 2 2 293.415 0.842 20 0 CCADLP Cc1cn2ccc(C(=O)NC3(C[NH3+])CCOCC3)cc2[nH+]1 ZINC000638631996 375236328 /nfs/dbraw/zinc/23/63/28/375236328.db2.gz NWUYYKVSCRULGK-UHFFFAOYSA-N 2 2 288.351 0.880 20 0 CCADLP C[C@H](CC(=O)NC[C@H]1COCC[N@@H+]1C)[C@H]1CCC[NH2+]C1 ZINC000638612079 375194680 /nfs/dbraw/zinc/19/46/80/375194680.db2.gz SFYZRKAYSXHSGR-RDBSUJKOSA-N 2 2 283.416 0.459 20 0 CCADLP C[C@H](CC(=O)NC[C@H]1COCC[N@H+]1C)[C@H]1CCC[NH2+]C1 ZINC000638612079 375194688 /nfs/dbraw/zinc/19/46/88/375194688.db2.gz SFYZRKAYSXHSGR-RDBSUJKOSA-N 2 2 283.416 0.459 20 0 CCADLP Cc1cn2ccc(C(=O)NC[C@@H]3COCC[NH2+]3)cc2[nH+]1 ZINC000638613539 375198879 /nfs/dbraw/zinc/19/88/79/375198879.db2.gz YEODFHVXPOARRX-GFCCVEGCSA-N 2 2 274.324 0.361 20 0 CCADLP Cc1cccn2cc(CC(=O)NC[C@H]3COCC[NH2+]3)[nH+]c12 ZINC000638616190 375205465 /nfs/dbraw/zinc/20/54/65/375205465.db2.gz OAVKXOKLCDIQGX-ZDUSSCGKSA-N 2 2 288.351 0.290 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCc2c(O)cccc2C1 ZINC000638697915 375303280 /nfs/dbraw/zinc/30/32/80/375303280.db2.gz OHECJBCFDMCUCH-CYBMUJFWSA-N 2 2 277.368 0.556 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCCC[C@H]1C(F)F ZINC000638703369 375308692 /nfs/dbraw/zinc/30/86/92/375308692.db2.gz BEDCSGYWGFZAKL-UWVGGRQHSA-N 2 2 263.332 0.912 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1C(F)F ZINC000638703371 375309161 /nfs/dbraw/zinc/30/91/61/375309161.db2.gz BEDCSGYWGFZAKL-ZJUUUORDSA-N 2 2 263.332 0.912 20 0 CCADLP C[NH+](C)[C@]1(C[NH2+][C@@H]2CCCNC(=O)C2)CCSC1 ZINC000638719878 375319029 /nfs/dbraw/zinc/31/90/29/375319029.db2.gz HDVQXPVCZVCUJT-YPMHNXCESA-N 2 2 271.430 0.682 20 0 CCADLP [NH3+]CCCOCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000638661808 375265257 /nfs/dbraw/zinc/26/52/57/375265257.db2.gz FKOCJJSMOQNRQV-UHFFFAOYSA-N 2 2 280.372 0.244 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000638767983 375344006 /nfs/dbraw/zinc/34/40/06/375344006.db2.gz OGTZDKUDSSQWAU-CMPLNLGQSA-N 2 2 271.324 0.748 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cc2c(cn1)OCCO2 ZINC000638772247 375349052 /nfs/dbraw/zinc/34/90/52/375349052.db2.gz MFUDPXKWPWAWDS-AWEZNQCLSA-N 2 2 281.356 0.255 20 0 CCADLP C[NH+]1CCC(n2cc(NC(=O)[C@H]3COCC[NH2+]3)cn2)CC1 ZINC000638978098 375491391 /nfs/dbraw/zinc/49/13/91/375491391.db2.gz UQSLBRPLZYWLGJ-CYBMUJFWSA-N 2 2 293.371 0.077 20 0 CCADLP COC[C@]1(C(=O)N(C)Cc2[nH]cc[nH+]2)CCCC[NH2+]1 ZINC000639017366 375521476 /nfs/dbraw/zinc/52/14/76/375521476.db2.gz UDFYJXNVEZELBA-ZDUSSCGKSA-N 2 2 266.345 0.527 20 0 CCADLP CC[N@H+](CCO)CC[NH2+][C@H](C)Cc1ccnc(OC)c1 ZINC000639052641 375549601 /nfs/dbraw/zinc/54/96/01/375549601.db2.gz DHLDYQZWOKDCKW-CYBMUJFWSA-N 2 2 281.400 0.925 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+][C@H](C)Cc1ccnc(OC)c1 ZINC000639052641 375549606 /nfs/dbraw/zinc/54/96/06/375549606.db2.gz DHLDYQZWOKDCKW-CYBMUJFWSA-N 2 2 281.400 0.925 20 0 CCADLP CCCN(CC[NH+]1CCCCC1)Cc1c[nH+]c(N)nc1N ZINC000639161921 375612338 /nfs/dbraw/zinc/61/23/38/375612338.db2.gz JDGFDTIWHLOHGR-UHFFFAOYSA-N 2 2 292.431 1.000 20 0 CCADLP CO[C@@]1(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)CCOC1 ZINC000639216929 375637545 /nfs/dbraw/zinc/63/75/45/375637545.db2.gz AEUDOMGBNWSBMA-UONOGXRCSA-N 2 2 272.389 0.228 20 0 CCADLP CO[C@@]1(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)CCOC1 ZINC000639216929 375637551 /nfs/dbraw/zinc/63/75/51/375637551.db2.gz AEUDOMGBNWSBMA-UONOGXRCSA-N 2 2 272.389 0.228 20 0 CCADLP CO[C@H](C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO)[C@H]1CCOC1 ZINC000639217264 375638188 /nfs/dbraw/zinc/63/81/88/375638188.db2.gz CWLGSLNRJLTJEU-SOUVJXGZSA-N 2 2 286.416 0.474 20 0 CCADLP CO[C@H](C[NH2+]C[C@@H]1CCCC[N@H+]1CCO)[C@H]1CCOC1 ZINC000639217264 375638190 /nfs/dbraw/zinc/63/81/90/375638190.db2.gz CWLGSLNRJLTJEU-SOUVJXGZSA-N 2 2 286.416 0.474 20 0 CCADLP CO[C@@]1(C[NH2+][C@H]2CCC[N@H+](CCCO)C2)CCOC1 ZINC000639219564 375643031 /nfs/dbraw/zinc/64/30/31/375643031.db2.gz RVISVIAYBXBAAS-UONOGXRCSA-N 2 2 272.389 0.228 20 0 CCADLP CO[C@@]1(C[NH2+][C@H]2CCC[N@@H+](CCCO)C2)CCOC1 ZINC000639219564 375643037 /nfs/dbraw/zinc/64/30/37/375643037.db2.gz RVISVIAYBXBAAS-UONOGXRCSA-N 2 2 272.389 0.228 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CS1 ZINC000639349754 375749627 /nfs/dbraw/zinc/74/96/27/375749627.db2.gz QDHDPBBSEIIBLZ-TUAOUCFPSA-N 2 2 271.430 0.810 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CS1 ZINC000639349754 375749635 /nfs/dbraw/zinc/74/96/35/375749635.db2.gz QDHDPBBSEIIBLZ-TUAOUCFPSA-N 2 2 271.430 0.810 20 0 CCADLP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCc1c[nH+]cn1C ZINC000639474690 375794495 /nfs/dbraw/zinc/79/44/95/375794495.db2.gz QZEPAGJQSNNHFP-MNOVXSKESA-N 2 2 250.346 0.548 20 0 CCADLP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CCc1c[nH+]cn1C ZINC000639474690 375794500 /nfs/dbraw/zinc/79/45/00/375794500.db2.gz QZEPAGJQSNNHFP-MNOVXSKESA-N 2 2 250.346 0.548 20 0 CCADLP CNC(=O)CC1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000639508894 375815986 /nfs/dbraw/zinc/81/59/86/375815986.db2.gz QWNLCZZQZPZMMB-UHFFFAOYSA-N 2 2 264.373 0.811 20 0 CCADLP CC(C)[N@@H+](CCc1c[nH+]cn1C)C[C@@H]1CCC(=O)N1 ZINC000639676880 375908462 /nfs/dbraw/zinc/90/84/62/375908462.db2.gz AUYWCJGADWGTLF-LBPRGKRZSA-N 2 2 264.373 0.952 20 0 CCADLP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639768458 375999496 /nfs/dbraw/zinc/99/94/96/375999496.db2.gz YZAFXOVICUZMOS-IUODEOHRSA-N 2 2 285.432 0.678 20 0 CCADLP C[C@H](C(=O)NC(C)(C)C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639768458 375999505 /nfs/dbraw/zinc/99/95/05/375999505.db2.gz YZAFXOVICUZMOS-IUODEOHRSA-N 2 2 285.432 0.678 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCO[C@H](Cn2ccnn2)C1 ZINC000639860170 376089159 /nfs/dbraw/zinc/08/91/59/376089159.db2.gz OLLRWBYUXNIVHP-GJZGRUSLSA-N 2 2 293.415 0.853 20 0 CCADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCO[C@H](Cn2ccnn2)C1 ZINC000639860170 376089162 /nfs/dbraw/zinc/08/91/62/376089162.db2.gz OLLRWBYUXNIVHP-GJZGRUSLSA-N 2 2 293.415 0.853 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000639860170 376089165 /nfs/dbraw/zinc/08/91/65/376089165.db2.gz OLLRWBYUXNIVHP-GJZGRUSLSA-N 2 2 293.415 0.853 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000639860170 376089168 /nfs/dbraw/zinc/08/91/68/376089168.db2.gz OLLRWBYUXNIVHP-GJZGRUSLSA-N 2 2 293.415 0.853 20 0 CCADLP Cc1nnc(N2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)n1C ZINC000639977771 376167627 /nfs/dbraw/zinc/16/76/27/376167627.db2.gz SEOZAUQMIRRRDX-CQSZACIVSA-N 2 2 292.431 0.730 20 0 CCADLP Cc1nnc(N2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)n1C ZINC000639977771 376167631 /nfs/dbraw/zinc/16/76/31/376167631.db2.gz SEOZAUQMIRRRDX-CQSZACIVSA-N 2 2 292.431 0.730 20 0 CCADLP CO[C@H]1C[N@H+](CCCc2c[nH+]cn2C)[C@@](C)(CO)C1 ZINC000640003320 376181742 /nfs/dbraw/zinc/18/17/42/376181742.db2.gz HYJGVHXIHSXZCE-ZIAGYGMSSA-N 2 2 267.373 0.824 20 0 CCADLP CO[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)[C@@](C)(CO)C1 ZINC000640003320 376181745 /nfs/dbraw/zinc/18/17/45/376181745.db2.gz HYJGVHXIHSXZCE-ZIAGYGMSSA-N 2 2 267.373 0.824 20 0 CCADLP CCn1cc(CC[N@H+](C)CC(=O)N2CC[NH+](C)CC2)cn1 ZINC000640051671 376219040 /nfs/dbraw/zinc/21/90/40/376219040.db2.gz VKHSNPQXJZJCOL-UHFFFAOYSA-N 2 2 293.415 0.151 20 0 CCADLP CCn1cc(CC[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)cn1 ZINC000640051671 376219049 /nfs/dbraw/zinc/21/90/49/376219049.db2.gz VKHSNPQXJZJCOL-UHFFFAOYSA-N 2 2 293.415 0.151 20 0 CCADLP Cc1cnccc1C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640060372 376223280 /nfs/dbraw/zinc/22/32/80/376223280.db2.gz HYQJAIKRWWXSQB-UHFFFAOYSA-N 2 2 276.384 0.596 20 0 CCADLP Cc1cnccc1C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640060372 376223291 /nfs/dbraw/zinc/22/32/91/376223291.db2.gz HYQJAIKRWWXSQB-UHFFFAOYSA-N 2 2 276.384 0.596 20 0 CCADLP Cc1cc(Cn2cc(CN3CC[NH+](C)CC3)nn2)cc[nH+]1 ZINC000641089766 376765100 /nfs/dbraw/zinc/76/51/00/376765100.db2.gz RJCCGXPKEMCZMZ-UHFFFAOYSA-N 2 2 286.383 0.777 20 0 CCADLP Nc1cc(Cn2cc(C[N@@H+]3CCC[C@@H]3CO)nn2)cc[nH+]1 ZINC000641068040 376737125 /nfs/dbraw/zinc/73/71/25/376737125.db2.gz IHDDHXNMJJYBCG-CYBMUJFWSA-N 2 2 288.355 0.091 20 0 CCADLP Nc1cc(Cn2cc(C[N@H+]3CCC[C@@H]3CO)nn2)cc[nH+]1 ZINC000641068040 376737138 /nfs/dbraw/zinc/73/71/38/376737138.db2.gz IHDDHXNMJJYBCG-CYBMUJFWSA-N 2 2 288.355 0.091 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641253018 376944487 /nfs/dbraw/zinc/94/44/87/376944487.db2.gz UZIMQPROXGWTMO-LBPRGKRZSA-N 2 2 286.401 0.287 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641253018 376944491 /nfs/dbraw/zinc/94/44/91/376944491.db2.gz UZIMQPROXGWTMO-LBPRGKRZSA-N 2 2 286.401 0.287 20 0 CCADLP C[C@@H](CC[NH+](C)C)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641354123 377028624 /nfs/dbraw/zinc/02/86/24/377028624.db2.gz LZPNHNPOARPBBM-NSHDSACASA-N 2 2 274.390 0.143 20 0 CCADLP C[NH+](C)C[C@H]1CCN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641329004 376999507 /nfs/dbraw/zinc/99/95/07/376999507.db2.gz NDEYMPOGTQQEIB-GFCCVEGCSA-N 2 2 286.401 0.096 20 0 CCADLP C[NH+](C)CCCS(=O)(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000641592641 377297255 /nfs/dbraw/zinc/29/72/55/377297255.db2.gz HWFMQTLFSYMWLB-UHFFFAOYSA-N 2 2 277.434 0.294 20 0 CCADLP C[NH+](C)CCCS(=O)(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000641592641 377297259 /nfs/dbraw/zinc/29/72/59/377297259.db2.gz HWFMQTLFSYMWLB-UHFFFAOYSA-N 2 2 277.434 0.294 20 0 CCADLP CNC(=O)Cc1nc(C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)cs1 ZINC000641802362 377473570 /nfs/dbraw/zinc/47/35/70/377473570.db2.gz JNPPTLDPRNJMMX-VHSXEESVSA-N 2 2 282.413 0.647 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000423858830 249015965 /nfs/dbraw/zinc/01/59/65/249015965.db2.gz DXYPETAOPGHWCI-OLZOCXBDSA-N 2 2 299.415 0.470 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000423858830 249015966 /nfs/dbraw/zinc/01/59/66/249015966.db2.gz DXYPETAOPGHWCI-OLZOCXBDSA-N 2 2 299.415 0.470 20 0 CCADLP C[C@@H](CC(=O)NCCNc1cc[nH+]cc1)n1cc[nH+]c1 ZINC000514794432 249105597 /nfs/dbraw/zinc/10/55/97/249105597.db2.gz KGIJDBCWYYRAJS-LBPRGKRZSA-N 2 2 273.340 0.879 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000516179461 249154448 /nfs/dbraw/zinc/15/44/48/249154448.db2.gz SMTIYLSCQPXTHJ-GFCCVEGCSA-N 2 2 288.355 0.471 20 0 CCADLP Cc1cc(NCC(=O)NCC[NH+]2CCCCCC2)nc[nH+]1 ZINC000515548757 249138871 /nfs/dbraw/zinc/13/88/71/249138871.db2.gz FCPMCLTUZGHKBP-UHFFFAOYSA-N 2 2 291.399 0.611 20 0 CCADLP CC(C)OCCCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000516959261 249192720 /nfs/dbraw/zinc/19/27/20/249192720.db2.gz IQSDVXPTUCHYSS-LBPRGKRZSA-N 2 2 272.393 0.086 20 0 CCADLP CC(C)OCCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000516959261 249192723 /nfs/dbraw/zinc/19/27/23/249192723.db2.gz IQSDVXPTUCHYSS-LBPRGKRZSA-N 2 2 272.393 0.086 20 0 CCADLP [NH3+]C[C@@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)CCCO1 ZINC000517746839 249229622 /nfs/dbraw/zinc/22/96/22/249229622.db2.gz CQRNADBHPIDZNK-CYBMUJFWSA-N 2 2 288.351 0.453 20 0 CCADLP C[C@@H]1CN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)[C@H](C)C[NH2+]1 ZINC000643023154 377691659 /nfs/dbraw/zinc/69/16/59/377691659.db2.gz XKMNVJILMOUPLY-JHJVBQTASA-N 2 2 291.399 0.624 20 0 CCADLP [NH3+][C@H]1CCCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)C1 ZINC000642986906 377679848 /nfs/dbraw/zinc/67/98/48/377679848.db2.gz ODVRQHXGNFQJIQ-STQMWFEESA-N 2 2 291.399 0.755 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)NCC1CCC1 ZINC000643077224 377712547 /nfs/dbraw/zinc/71/25/47/377712547.db2.gz GDOBAWMIWBQJQA-JTNHKYCSSA-N 2 2 253.390 0.879 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N1CCSCC1 ZINC000657091236 412886682 /nfs/dbraw/zinc/88/66/82/412886682.db2.gz KQFDLRNFMDPUMP-UHFFFAOYSA-N 2 2 288.461 0.628 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N1CCSCC1 ZINC000657091236 412886685 /nfs/dbraw/zinc/88/66/85/412886685.db2.gz KQFDLRNFMDPUMP-UHFFFAOYSA-N 2 2 288.461 0.628 20 0 CCADLP CN(C)c1ncc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cn1 ZINC000278637711 194079233 /nfs/dbraw/zinc/07/92/33/194079233.db2.gz LDPFSEHSIYDXKJ-BETUJISGSA-N 2 2 261.373 0.536 20 0 CCADLP CN(C)c1ncc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cn1 ZINC000278637711 194079234 /nfs/dbraw/zinc/07/92/34/194079234.db2.gz LDPFSEHSIYDXKJ-BETUJISGSA-N 2 2 261.373 0.536 20 0 CCADLP CN(C)c1ncc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cn1 ZINC000278637711 194079237 /nfs/dbraw/zinc/07/92/37/194079237.db2.gz LDPFSEHSIYDXKJ-BETUJISGSA-N 2 2 261.373 0.536 20 0 CCADLP CN(C)c1ncc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cn1 ZINC000278637711 194079240 /nfs/dbraw/zinc/07/92/40/194079240.db2.gz LDPFSEHSIYDXKJ-BETUJISGSA-N 2 2 261.373 0.536 20 0 CCADLP CCC[C@H](O)C[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000570162605 291738339 /nfs/dbraw/zinc/73/83/39/291738339.db2.gz MIGYQPSMEFXCKX-MQYQWHSLSA-N 2 2 274.405 0.207 20 0 CCADLP CCCn1cc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cn1 ZINC000131354957 284803226 /nfs/dbraw/zinc/80/32/26/284803226.db2.gz BUSFESKPEIMILX-ZDUSSCGKSA-N 2 2 254.378 0.695 20 0 CCADLP CC[N@@H+]1CCN(C(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC000288574869 197117392 /nfs/dbraw/zinc/11/73/92/197117392.db2.gz USTWYDDTWUAZBW-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP CC[N@H+]1CCN(C(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC000288574869 197117394 /nfs/dbraw/zinc/11/73/94/197117394.db2.gz USTWYDDTWUAZBW-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCCn1cc[nH+]c1 ZINC000334909242 207276043 /nfs/dbraw/zinc/27/60/43/207276043.db2.gz MHGSQSHMVWVOOV-WDEREUQCSA-N 2 2 251.334 0.275 20 0 CCADLP O[C@@H](C[NH2+]Cc1cnn2c1CCC2)C[NH+]1CCCC1 ZINC000657324687 412961310 /nfs/dbraw/zinc/96/13/10/412961310.db2.gz BDOBWAQKBGNUKM-ZDUSSCGKSA-N 2 2 264.373 0.376 20 0 CCADLP Cc1c[nH]c(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)n1 ZINC000657340877 412966265 /nfs/dbraw/zinc/96/62/65/412966265.db2.gz BXQMDTPCSWZNSC-CYBMUJFWSA-N 2 2 293.415 0.750 20 0 CCADLP Cc1c[nH]c(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)n1 ZINC000657340877 412966273 /nfs/dbraw/zinc/96/62/73/412966273.db2.gz BXQMDTPCSWZNSC-CYBMUJFWSA-N 2 2 293.415 0.750 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)c2ccnc(C[NH3+])c2)C[C@H]1C ZINC000361619390 532962700 /nfs/dbraw/zinc/96/27/00/532962700.db2.gz FTRCILNYNFNXTL-GFCCVEGCSA-N 2 2 292.383 0.333 20 0 CCADLP COCC[N@H+]1CCN(C(=O)c2ccnc(C[NH3+])c2)C[C@H]1C ZINC000361619390 532962703 /nfs/dbraw/zinc/96/27/03/532962703.db2.gz FTRCILNYNFNXTL-GFCCVEGCSA-N 2 2 292.383 0.333 20 0 CCADLP C[C@H](CC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)n1cc[nH+]c1 ZINC000571458338 291815882 /nfs/dbraw/zinc/81/58/82/291815882.db2.gz YHUDQOAQKBKGEU-ZIAGYGMSSA-N 2 2 291.399 0.340 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000418732568 532990600 /nfs/dbraw/zinc/99/06/00/532990600.db2.gz UWHUSJZUYWSDNL-OLZOCXBDSA-N 2 2 291.399 0.645 20 0 CCADLP COc1ccccc1[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000449570659 533015038 /nfs/dbraw/zinc/01/50/38/533015038.db2.gz IESMWHWTTLUMDG-DZGCQCFKSA-N 2 2 295.358 0.855 20 0 CCADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)[C@H]1CC(F)(F)C[NH2+]1 ZINC000335285501 208100607 /nfs/dbraw/zinc/10/06/07/208100607.db2.gz YLCOMYPDVQZYIJ-HTQZYQBOSA-N 2 2 283.269 0.345 20 0 CCADLP C[C@@H](C[NH2+]Cc1c[nH+]c2n1CCC2)S(C)(=O)=O ZINC000657417236 412985211 /nfs/dbraw/zinc/98/52/11/412985211.db2.gz VQWGOTNPBIKTDI-VIFPVBQESA-N 2 2 257.359 0.352 20 0 CCADLP C[NH+](CCc1cnccn1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000289406079 197332220 /nfs/dbraw/zinc/33/22/20/197332220.db2.gz UATPGWRFWBQLSD-CQSZACIVSA-N 2 2 264.373 0.406 20 0 CCADLP C[NH+](CCc1cnccn1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289406079 197332222 /nfs/dbraw/zinc/33/22/22/197332222.db2.gz UATPGWRFWBQLSD-CQSZACIVSA-N 2 2 264.373 0.406 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+](C)CCc1cnccn1)C1CC1 ZINC000289406079 197332216 /nfs/dbraw/zinc/33/22/16/197332216.db2.gz UATPGWRFWBQLSD-CQSZACIVSA-N 2 2 264.373 0.406 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+](C)CCc1cnccn1)C1CC1 ZINC000289406079 197332218 /nfs/dbraw/zinc/33/22/18/197332218.db2.gz UATPGWRFWBQLSD-CQSZACIVSA-N 2 2 264.373 0.406 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000418216197 533075941 /nfs/dbraw/zinc/07/59/41/533075941.db2.gz NWIAUUOSGCEERS-QWRGUYRKSA-N 2 2 278.356 0.982 20 0 CCADLP C[C@@H]1COCCN1CC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000249593264 285131499 /nfs/dbraw/zinc/13/14/99/285131499.db2.gz PLLQJCCCEMBZKJ-CABCVRRESA-N 2 2 269.433 0.981 20 0 CCADLP C[C@@H]1COCCN1CC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000249593264 285131500 /nfs/dbraw/zinc/13/15/00/285131500.db2.gz PLLQJCCCEMBZKJ-CABCVRRESA-N 2 2 269.433 0.981 20 0 CCADLP C[C@@H]1COCCN1CC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000249593264 285131501 /nfs/dbraw/zinc/13/15/01/285131501.db2.gz PLLQJCCCEMBZKJ-CABCVRRESA-N 2 2 269.433 0.981 20 0 CCADLP C[C@@H]1COCCN1CC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000249593264 285131502 /nfs/dbraw/zinc/13/15/02/285131502.db2.gz PLLQJCCCEMBZKJ-CABCVRRESA-N 2 2 269.433 0.981 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCN(C)C[C@H]1CCC[NH+](C)C1 ZINC000249593264 285131503 /nfs/dbraw/zinc/13/15/03/285131503.db2.gz PLLQJCCCEMBZKJ-CABCVRRESA-N 2 2 269.433 0.981 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCN(C)C[C@H]1CCC[NH+](C)C1 ZINC000249593264 285131504 /nfs/dbraw/zinc/13/15/04/285131504.db2.gz PLLQJCCCEMBZKJ-CABCVRRESA-N 2 2 269.433 0.981 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000249593264 285131505 /nfs/dbraw/zinc/13/15/05/285131505.db2.gz PLLQJCCCEMBZKJ-CABCVRRESA-N 2 2 269.433 0.981 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000249593264 285131506 /nfs/dbraw/zinc/13/15/06/285131506.db2.gz PLLQJCCCEMBZKJ-CABCVRRESA-N 2 2 269.433 0.981 20 0 CCADLP [NH3+][C@@H](C(=O)N[C@H]1C[NH2+]CCC1(F)F)c1cscn1 ZINC000572284034 291869542 /nfs/dbraw/zinc/86/95/42/291869542.db2.gz OMUJZOHECCSFIF-JGVFFNPUSA-N 2 2 276.312 0.256 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCO1 ZINC000251835589 285149938 /nfs/dbraw/zinc/14/99/38/285149938.db2.gz PYJLNDJEOUKKPL-SNPRPXQTSA-N 2 2 264.369 0.638 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCO1 ZINC000251835589 285149939 /nfs/dbraw/zinc/14/99/39/285149939.db2.gz PYJLNDJEOUKKPL-SNPRPXQTSA-N 2 2 264.369 0.638 20 0 CCADLP [NH3+]CC[C@@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)C(F)(F)F ZINC000572525737 291885935 /nfs/dbraw/zinc/88/59/35/291885935.db2.gz RMPNCXNQUSJPCW-NTSWFWBYSA-N 2 2 275.221 0.380 20 0 CCADLP COC(=O)C(C)(C)CC[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424385168 533128668 /nfs/dbraw/zinc/12/86/68/533128668.db2.gz WAOGOCWWWBVGPF-QWHCGFSZSA-N 2 2 294.399 0.736 20 0 CCADLP COC(=O)C(C)(C)CC[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424385168 533128673 /nfs/dbraw/zinc/12/86/73/533128673.db2.gz WAOGOCWWWBVGPF-QWHCGFSZSA-N 2 2 294.399 0.736 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CC(C)(C)[C@@]2(O)CCOC2)n1C ZINC000657498960 413011164 /nfs/dbraw/zinc/01/11/64/413011164.db2.gz PLKLJUSMDGBTEL-CQSZACIVSA-N 2 2 267.373 0.996 20 0 CCADLP COC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)C1CC1 ZINC000453262728 285237114 /nfs/dbraw/zinc/23/71/14/285237114.db2.gz KXAFOICDXQVQAD-UONOGXRCSA-N 2 2 256.390 0.848 20 0 CCADLP COC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)C1CC1 ZINC000453262728 285237115 /nfs/dbraw/zinc/23/71/15/285237115.db2.gz KXAFOICDXQVQAD-UONOGXRCSA-N 2 2 256.390 0.848 20 0 CCADLP O=C(CC[C@H]1CC[NH2+]C1)NCCNc1cccc[nH+]1 ZINC000574873589 335053827 /nfs/dbraw/zinc/05/38/27/335053827.db2.gz XOOFITQAHSJZAQ-LBPRGKRZSA-N 2 2 262.357 0.999 20 0 CCADLP NC(=O)NC(=O)CC[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000521863254 285290618 /nfs/dbraw/zinc/29/06/18/285290618.db2.gz VXFJIIVXESJCBX-UHFFFAOYSA-N 2 2 275.312 0.051 20 0 CCADLP CC1(C)[NH2+]CC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000521880967 285294721 /nfs/dbraw/zinc/29/47/21/285294721.db2.gz MCJISZOPZRYIMA-NSHDSACASA-N 2 2 286.339 0.533 20 0 CCADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CCNC1=O ZINC000281494553 195263885 /nfs/dbraw/zinc/26/38/85/195263885.db2.gz AMFSGHWQOMURGY-CYBMUJFWSA-N 2 2 285.351 0.978 20 0 CCADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CCNC1=O ZINC000281494553 195263886 /nfs/dbraw/zinc/26/38/86/195263886.db2.gz AMFSGHWQOMURGY-CYBMUJFWSA-N 2 2 285.351 0.978 20 0 CCADLP CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000657602250 413033762 /nfs/dbraw/zinc/03/37/62/413033762.db2.gz FGYMBPVQGXBWFC-RYUDHWBXSA-N 2 2 295.364 0.236 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCC[NH+]1CC=CCC1 ZINC000525989844 285324965 /nfs/dbraw/zinc/32/49/65/285324965.db2.gz WVIJKRZLWFJTGM-CQSZACIVSA-N 2 2 296.415 0.268 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCC[NH+]1CC=CCC1 ZINC000525989844 285324969 /nfs/dbraw/zinc/32/49/69/285324969.db2.gz WVIJKRZLWFJTGM-CQSZACIVSA-N 2 2 296.415 0.268 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)NCC[N@H+]1CC=CCC1 ZINC000525989844 285324973 /nfs/dbraw/zinc/32/49/73/285324973.db2.gz WVIJKRZLWFJTGM-CQSZACIVSA-N 2 2 296.415 0.268 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)NCC[N@@H+]1CC=CCC1 ZINC000525989844 285324978 /nfs/dbraw/zinc/32/49/78/285324978.db2.gz WVIJKRZLWFJTGM-CQSZACIVSA-N 2 2 296.415 0.268 20 0 CCADLP Cc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)no1 ZINC000284088850 388773072 /nfs/dbraw/zinc/77/30/72/388773072.db2.gz MFCYYHKFCPRXBZ-DGCLKSJQSA-N 2 2 280.372 0.973 20 0 CCADLP Cc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)no1 ZINC000284088850 388773078 /nfs/dbraw/zinc/77/30/78/388773078.db2.gz MFCYYHKFCPRXBZ-DGCLKSJQSA-N 2 2 280.372 0.973 20 0 CCADLP C[C@H]1C[C@H]([NH2+]Cc2cc(C(N)=O)co2)CC[N@@H+]1C ZINC000187706950 388892788 /nfs/dbraw/zinc/89/27/88/388892788.db2.gz WBWBYRODWQGNRB-GXSJLCMTSA-N 2 2 251.330 0.951 20 0 CCADLP C[C@H]1C[C@H]([NH2+]Cc2cc(C(N)=O)co2)CC[N@H+]1C ZINC000187706950 388892791 /nfs/dbraw/zinc/89/27/91/388892791.db2.gz WBWBYRODWQGNRB-GXSJLCMTSA-N 2 2 251.330 0.951 20 0 CCADLP CC(C)[C@@H](CNC(=O)c1coc(C[NH3+])c1)[NH+]1CCOCC1 ZINC000188053307 388911705 /nfs/dbraw/zinc/91/17/05/388911705.db2.gz JJFARCPIVMQVMH-CQSZACIVSA-N 2 2 295.383 0.825 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000292342697 388948453 /nfs/dbraw/zinc/94/84/53/388948453.db2.gz NRPZLYYDYPRDRZ-LLVKDONJSA-N 2 2 265.361 0.656 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000073180362 388974578 /nfs/dbraw/zinc/97/45/78/388974578.db2.gz FOXHWWRDTYIAJR-CYBMUJFWSA-N 2 2 280.372 0.356 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000073180362 388974580 /nfs/dbraw/zinc/97/45/80/388974580.db2.gz FOXHWWRDTYIAJR-CYBMUJFWSA-N 2 2 280.372 0.356 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CC2(CO)CC2)CC1 ZINC000190037403 388981516 /nfs/dbraw/zinc/98/15/16/388981516.db2.gz YKKFFWAXJYQIHE-CYBMUJFWSA-N 2 2 283.416 0.243 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CC2(CO)CC2)CC1 ZINC000190037403 388981518 /nfs/dbraw/zinc/98/15/18/388981518.db2.gz YKKFFWAXJYQIHE-CYBMUJFWSA-N 2 2 283.416 0.243 20 0 CCADLP C(CN1CCOCC1)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000075768337 388983830 /nfs/dbraw/zinc/98/38/30/388983830.db2.gz QEGAROJEJNXXFM-INIZCTEOSA-N 2 2 297.443 0.363 20 0 CCADLP C(CN1CCOCC1)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000075768337 388983833 /nfs/dbraw/zinc/98/38/33/388983833.db2.gz QEGAROJEJNXXFM-INIZCTEOSA-N 2 2 297.443 0.363 20 0 CCADLP CC[C@@H]1CN(CC[N@@H+]2CCOC[C@@H]2C)CC[NH+]1C[C@@H](C)O ZINC000191483707 389012022 /nfs/dbraw/zinc/01/20/22/389012022.db2.gz VUXKHYYBLSCDEM-ARFHVFGLSA-N 2 2 299.459 0.484 20 0 CCADLP CC[C@@H]1CN(CC[N@H+]2CCOC[C@@H]2C)CC[NH+]1C[C@@H](C)O ZINC000191483707 389012023 /nfs/dbraw/zinc/01/20/23/389012023.db2.gz VUXKHYYBLSCDEM-ARFHVFGLSA-N 2 2 299.459 0.484 20 0 CCADLP CC[C@@H]1CN(CC[NH+]2CCOC[C@@H]2C)CC[N@@H+]1C[C@@H](C)O ZINC000191483707 389012025 /nfs/dbraw/zinc/01/20/25/389012025.db2.gz VUXKHYYBLSCDEM-ARFHVFGLSA-N 2 2 299.459 0.484 20 0 CCADLP CC[C@@H]1CN(CC[NH+]2CCOC[C@@H]2C)CC[N@H+]1C[C@@H](C)O ZINC000191483707 389012027 /nfs/dbraw/zinc/01/20/27/389012027.db2.gz VUXKHYYBLSCDEM-ARFHVFGLSA-N 2 2 299.459 0.484 20 0 CCADLP Cc1nc(N2CC[NH+](CCO)CC2)c(C)c(C)[nH+]1 ZINC000301453301 389052530 /nfs/dbraw/zinc/05/25/30/389052530.db2.gz VCFKOVRBJNXEIM-UHFFFAOYSA-N 2 2 250.346 0.516 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000337583787 389064128 /nfs/dbraw/zinc/06/41/28/389064128.db2.gz JYTQECRFOMGNPH-ZIAGYGMSSA-N 2 2 274.368 0.649 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000337583787 389064130 /nfs/dbraw/zinc/06/41/30/389064130.db2.gz JYTQECRFOMGNPH-ZIAGYGMSSA-N 2 2 274.368 0.649 20 0 CCADLP CC[N@@H+]1CC[C@@H]2OCCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC000355363410 389066723 /nfs/dbraw/zinc/06/67/23/389066723.db2.gz CDQBVIRIKPAFIE-OLZOCXBDSA-N 2 2 292.383 0.664 20 0 CCADLP CC[N@H+]1CC[C@@H]2OCCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC000355363410 389066726 /nfs/dbraw/zinc/06/67/26/389066726.db2.gz CDQBVIRIKPAFIE-OLZOCXBDSA-N 2 2 292.383 0.664 20 0 CCADLP C[NH+](C)CC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000193557304 389073081 /nfs/dbraw/zinc/07/30/81/389073081.db2.gz USJLTYZEZVSQSF-OAHLLOKOSA-N 2 2 291.395 0.738 20 0 CCADLP CC[NH+](CC)CCCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338133604 389077636 /nfs/dbraw/zinc/07/76/36/389077636.db2.gz WSAIGUFIFBCDNW-UHFFFAOYSA-N 2 2 285.432 0.945 20 0 CCADLP CC[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338172434 389083538 /nfs/dbraw/zinc/08/35/38/389083538.db2.gz CCYUOSHHSSRTFZ-UHFFFAOYSA-N 2 2 257.378 0.165 20 0 CCADLP CC[N@@H+](C)CCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338172434 389083542 /nfs/dbraw/zinc/08/35/42/389083542.db2.gz CCYUOSHHSSRTFZ-UHFFFAOYSA-N 2 2 257.378 0.165 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000305147276 389084536 /nfs/dbraw/zinc/08/45/36/389084536.db2.gz SDXKFOSXNLAKSM-CQSZACIVSA-N 3 2 278.400 0.563 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338185684 389086931 /nfs/dbraw/zinc/08/69/31/389086931.db2.gz DPSDISVCSFVGOJ-UHFFFAOYSA-N 2 2 271.405 0.554 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338185684 389086933 /nfs/dbraw/zinc/08/69/33/389086933.db2.gz DPSDISVCSFVGOJ-UHFFFAOYSA-N 2 2 271.405 0.554 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000338199746 389089446 /nfs/dbraw/zinc/08/94/46/389089446.db2.gz TUUBXQDGBYKRAU-RWMBFGLXSA-N 2 2 289.445 0.198 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000338199746 389089449 /nfs/dbraw/zinc/08/94/49/389089449.db2.gz TUUBXQDGBYKRAU-RWMBFGLXSA-N 2 2 289.445 0.198 20 0 CCADLP COCC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@H](C)C(N)=O ZINC000121047775 389146622 /nfs/dbraw/zinc/14/66/22/389146622.db2.gz YKPYEGYVAUMBKC-NEPJUHHUSA-N 2 2 257.378 0.293 20 0 CCADLP COCC[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@H](C)C(N)=O ZINC000121047775 389146625 /nfs/dbraw/zinc/14/66/25/389146625.db2.gz YKPYEGYVAUMBKC-NEPJUHHUSA-N 2 2 257.378 0.293 20 0 CCADLP COCC[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@H](C)C(N)=O ZINC000121047775 389146626 /nfs/dbraw/zinc/14/66/26/389146626.db2.gz YKPYEGYVAUMBKC-NEPJUHHUSA-N 2 2 257.378 0.293 20 0 CCADLP COCC[NH+](CC[C@@H]1CCC[N@H+]1C)[C@H](C)C(N)=O ZINC000121047775 389146627 /nfs/dbraw/zinc/14/66/27/389146627.db2.gz YKPYEGYVAUMBKC-NEPJUHHUSA-N 2 2 257.378 0.293 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]C2CCN(C(=O)CCOC)CC2)[C@@H](C)C1 ZINC000358292127 389147105 /nfs/dbraw/zinc/14/71/05/389147105.db2.gz GZHTVMAVWCPVMZ-ZFWWWQNUSA-N 2 2 297.443 0.944 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]C2CCN(C(=O)CCOC)CC2)[C@@H](C)C1 ZINC000358292127 389147108 /nfs/dbraw/zinc/14/71/08/389147108.db2.gz GZHTVMAVWCPVMZ-ZFWWWQNUSA-N 2 2 297.443 0.944 20 0 CCADLP C[NH+](C)C1CC[NH+](C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000338249697 389097552 /nfs/dbraw/zinc/09/75/52/389097552.db2.gz KCHBRNDFWGOXPZ-GFCCVEGCSA-N 2 2 289.445 0.294 20 0 CCADLP COCCC(=O)N1CCC([NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000358298096 389147394 /nfs/dbraw/zinc/14/73/94/389147394.db2.gz MDSFZDYKTYNXQT-GXTWGEPZSA-N 2 2 283.416 0.554 20 0 CCADLP COCCC(=O)N1CCC([NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000358298096 389147396 /nfs/dbraw/zinc/14/73/96/389147396.db2.gz MDSFZDYKTYNXQT-GXTWGEPZSA-N 2 2 283.416 0.554 20 0 CCADLP CCC[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000338282303 389104896 /nfs/dbraw/zinc/10/48/96/389104896.db2.gz WUEWZIPGKGSJJT-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP CCC[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000338282303 389104897 /nfs/dbraw/zinc/10/48/97/389104897.db2.gz WUEWZIPGKGSJJT-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP Cc1nc(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)nc(N)[nH+]1 ZINC000311969350 389106229 /nfs/dbraw/zinc/10/62/29/389106229.db2.gz JMXXTSBZVLCKLM-GHMZBOCLSA-N 2 2 262.361 0.683 20 0 CCADLP Cc1nc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)nc(N)[nH+]1 ZINC000311969350 389106230 /nfs/dbraw/zinc/10/62/30/389106230.db2.gz JMXXTSBZVLCKLM-GHMZBOCLSA-N 2 2 262.361 0.683 20 0 CCADLP Cc1nc(N)nc(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)[nH+]1 ZINC000311969350 389106231 /nfs/dbraw/zinc/10/62/31/389106231.db2.gz JMXXTSBZVLCKLM-GHMZBOCLSA-N 2 2 262.361 0.683 20 0 CCADLP Cc1nc(N)nc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)[nH+]1 ZINC000311969350 389106232 /nfs/dbraw/zinc/10/62/32/389106232.db2.gz JMXXTSBZVLCKLM-GHMZBOCLSA-N 2 2 262.361 0.683 20 0 CCADLP COCCC(=O)N1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000355668075 389109827 /nfs/dbraw/zinc/10/98/27/389109827.db2.gz FVEPKZHFCFVLBO-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP COCCC(=O)N1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000355668075 389109829 /nfs/dbraw/zinc/10/98/29/389109829.db2.gz FVEPKZHFCFVLBO-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313337578 389112634 /nfs/dbraw/zinc/11/26/34/389112634.db2.gz JGEQQFHREQKBPX-VXGBXAGGSA-N 2 2 271.405 0.729 20 0 CCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313337578 389112636 /nfs/dbraw/zinc/11/26/36/389112636.db2.gz JGEQQFHREQKBPX-VXGBXAGGSA-N 2 2 271.405 0.729 20 0 CCADLP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313393243 389114131 /nfs/dbraw/zinc/11/41/31/389114131.db2.gz OAGRBZSYQVCTRV-XQQFMLRXSA-N 2 2 271.405 0.729 20 0 CCADLP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313393243 389114134 /nfs/dbraw/zinc/11/41/34/389114134.db2.gz OAGRBZSYQVCTRV-XQQFMLRXSA-N 2 2 271.405 0.729 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CC(=O)N2CCOCC2)[C@@H]1C ZINC000316283125 389119434 /nfs/dbraw/zinc/11/94/34/389119434.db2.gz SRZCNEWODGKUIG-UPJWGTAASA-N 2 2 269.389 0.293 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CC(=O)N2CCOCC2)[C@@H]1C ZINC000316283125 389119435 /nfs/dbraw/zinc/11/94/35/389119435.db2.gz SRZCNEWODGKUIG-UPJWGTAASA-N 2 2 269.389 0.293 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1C ZINC000356745241 389127945 /nfs/dbraw/zinc/12/79/45/389127945.db2.gz PQGBDUZTVQJBOU-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1C ZINC000356745241 389127948 /nfs/dbraw/zinc/12/79/48/389127948.db2.gz PQGBDUZTVQJBOU-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000356982554 389130443 /nfs/dbraw/zinc/13/04/43/389130443.db2.gz VDJVKWLAFJUIBC-GJZGRUSLSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000356982554 389130444 /nfs/dbraw/zinc/13/04/44/389130444.db2.gz VDJVKWLAFJUIBC-GJZGRUSLSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@@H+]1CCN(C(=O)C2CCC(F)(F)CC2)[C@H](C[NH3+])C1 ZINC000216489296 389133492 /nfs/dbraw/zinc/13/34/92/389133492.db2.gz CKABRRLNRCJZKJ-LLVKDONJSA-N 2 2 275.343 0.913 20 0 CCADLP C[N@H+]1CCN(C(=O)C2CCC(F)(F)CC2)[C@H](C[NH3+])C1 ZINC000216489296 389133496 /nfs/dbraw/zinc/13/34/96/389133496.db2.gz CKABRRLNRCJZKJ-LLVKDONJSA-N 2 2 275.343 0.913 20 0 CCADLP CN(C)C(=O)CN1CCC[N@H+](CC[C@H]2CCC[NH+]2C)CC1 ZINC000119080761 389138535 /nfs/dbraw/zinc/13/85/35/389138535.db2.gz WCXICVSTFKRFQG-OAHLLOKOSA-N 2 2 296.459 0.567 20 0 CCADLP CN(C)C(=O)CN1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)CC1 ZINC000119080761 389138539 /nfs/dbraw/zinc/13/85/39/389138539.db2.gz WCXICVSTFKRFQG-OAHLLOKOSA-N 2 2 296.459 0.567 20 0 CCADLP CN(C)C(=O)CN1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000119080761 389138542 /nfs/dbraw/zinc/13/85/42/389138542.db2.gz WCXICVSTFKRFQG-OAHLLOKOSA-N 2 2 296.459 0.567 20 0 CCADLP CN(C)C(=O)CN1CCC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000119080761 389138545 /nfs/dbraw/zinc/13/85/45/389138545.db2.gz WCXICVSTFKRFQG-OAHLLOKOSA-N 2 2 296.459 0.567 20 0 CCADLP CCS(=O)(=O)NCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123785461 389158005 /nfs/dbraw/zinc/15/80/05/389158005.db2.gz FKCWCXWSDGMELA-VXGBXAGGSA-N 2 2 277.434 0.340 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123785461 389158007 /nfs/dbraw/zinc/15/80/07/389158007.db2.gz FKCWCXWSDGMELA-VXGBXAGGSA-N 2 2 277.434 0.340 20 0 CCADLP CCS(=O)(=O)NCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123785461 389158009 /nfs/dbraw/zinc/15/80/09/389158009.db2.gz FKCWCXWSDGMELA-VXGBXAGGSA-N 2 2 277.434 0.340 20 0 CCADLP CCS(=O)(=O)NCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123785461 389158011 /nfs/dbraw/zinc/15/80/11/389158011.db2.gz FKCWCXWSDGMELA-VXGBXAGGSA-N 2 2 277.434 0.340 20 0 CCADLP CCCCNC(=O)CC[N@@H+]1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000359035175 389165969 /nfs/dbraw/zinc/16/59/69/389165969.db2.gz AFWSZVZDQMDTOP-OLZOCXBDSA-N 2 2 271.405 0.731 20 0 CCADLP CCCCNC(=O)CC[N@H+]1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000359035175 389165972 /nfs/dbraw/zinc/16/59/72/389165972.db2.gz AFWSZVZDQMDTOP-OLZOCXBDSA-N 2 2 271.405 0.731 20 0 CCADLP CO[C@H]1CC[N@H+](CCCN2CCOCC2)[C@@H](C[NH3+])C1 ZINC000359052171 389166065 /nfs/dbraw/zinc/16/60/65/389166065.db2.gz FTOZPZOXCLZMTP-KGLIPLIRSA-N 2 2 271.405 0.147 20 0 CCADLP CO[C@H]1CC[N@@H+](CCCN2CCOCC2)[C@@H](C[NH3+])C1 ZINC000359052171 389166069 /nfs/dbraw/zinc/16/60/69/389166069.db2.gz FTOZPZOXCLZMTP-KGLIPLIRSA-N 2 2 271.405 0.147 20 0 CCADLP Cc1nc(N2CC[N@@H+]3CCOC[C@@H]3C2)c(C)c(C)[nH+]1 ZINC000363778306 389253628 /nfs/dbraw/zinc/25/36/28/389253628.db2.gz QGLQJDUWQNZWJH-ZDUSSCGKSA-N 2 2 262.357 0.923 20 0 CCADLP Cc1nc(N2CC[N@H+]3CCOC[C@@H]3C2)c(C)c(C)[nH+]1 ZINC000363778306 389253630 /nfs/dbraw/zinc/25/36/30/389253630.db2.gz QGLQJDUWQNZWJH-ZDUSSCGKSA-N 2 2 262.357 0.923 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)[C@@H]1CC[NH2+]CC1(F)F ZINC000342654257 389235935 /nfs/dbraw/zinc/23/59/35/389235935.db2.gz PGKTXCONQKUDEC-JTQLQIEISA-N 2 2 272.299 0.634 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000155774676 389321089 /nfs/dbraw/zinc/32/10/89/389321089.db2.gz RFZXUARQJXQPBX-CRWXNKLISA-N 2 2 283.416 0.539 20 0 CCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)NCC[NH+](C)C)CCC2 ZINC000367116378 389321921 /nfs/dbraw/zinc/32/19/21/389321921.db2.gz BOLGUKILEZOYRX-LBPRGKRZSA-N 2 2 279.388 0.930 20 0 CCADLP CC(C)C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000346536541 389331452 /nfs/dbraw/zinc/33/14/52/389331452.db2.gz JBNURQRNWVBXQG-GJZGRUSLSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+]1CCOCC1 ZINC000346536541 389331456 /nfs/dbraw/zinc/33/14/56/389331456.db2.gz JBNURQRNWVBXQG-GJZGRUSLSA-N 2 2 297.443 0.944 20 0 CCADLP C[N@H+](CCO)C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346818064 389338461 /nfs/dbraw/zinc/33/84/61/389338461.db2.gz AKFGJRBYGPHPFH-CYBMUJFWSA-N 3 2 255.406 0.375 20 0 CCADLP C[N@@H+](CCO)C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346818064 389338464 /nfs/dbraw/zinc/33/84/64/389338464.db2.gz AKFGJRBYGPHPFH-CYBMUJFWSA-N 3 2 255.406 0.375 20 0 CCADLP Cc1c[nH+]c(CN2CCO[C@H]3CC[N@H+](C)C[C@@H]32)n1C ZINC000343919078 389276102 /nfs/dbraw/zinc/27/61/02/389276102.db2.gz PHBJAFJAFKXAFR-STQMWFEESA-N 2 2 264.373 0.633 20 0 CCADLP Cc1c[nH+]c(CN2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)n1C ZINC000343919078 389276104 /nfs/dbraw/zinc/27/61/04/389276104.db2.gz PHBJAFJAFKXAFR-STQMWFEESA-N 2 2 264.373 0.633 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)C1 ZINC000344550582 389282121 /nfs/dbraw/zinc/28/21/21/389282121.db2.gz KBYVFSVJMDDERG-QWHCGFSZSA-N 3 2 255.406 0.373 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)C1 ZINC000344550582 389282122 /nfs/dbraw/zinc/28/21/22/389282122.db2.gz KBYVFSVJMDDERG-QWHCGFSZSA-N 3 2 255.406 0.373 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366561608 389304518 /nfs/dbraw/zinc/30/45/18/389304518.db2.gz SHXYXYLCNLULHU-SWLSCSKDSA-N 2 2 296.415 0.637 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366561608 389304520 /nfs/dbraw/zinc/30/45/20/389304520.db2.gz SHXYXYLCNLULHU-SWLSCSKDSA-N 2 2 296.415 0.637 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366561608 389304524 /nfs/dbraw/zinc/30/45/24/389304524.db2.gz SHXYXYLCNLULHU-SWLSCSKDSA-N 2 2 296.415 0.637 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366561608 389304526 /nfs/dbraw/zinc/30/45/26/389304526.db2.gz SHXYXYLCNLULHU-SWLSCSKDSA-N 2 2 296.415 0.637 20 0 CCADLP CC(C)[C@H](O)C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000366606311 389307564 /nfs/dbraw/zinc/30/75/64/389307564.db2.gz YZDRXYANZUKWCD-UONOGXRCSA-N 2 2 283.416 0.417 20 0 CCADLP CC(C)[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000366606311 389307566 /nfs/dbraw/zinc/30/75/66/389307566.db2.gz YZDRXYANZUKWCD-UONOGXRCSA-N 2 2 283.416 0.417 20 0 CCADLP C[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)[NH+]1CCSCC1 ZINC000421713246 389371679 /nfs/dbraw/zinc/37/16/79/389371679.db2.gz SFSLWCPVLBMWJF-STQMWFEESA-N 2 2 285.457 0.976 20 0 CCADLP C[C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+]1C)[NH+]1CCSCC1 ZINC000421713246 389371682 /nfs/dbraw/zinc/37/16/82/389371682.db2.gz SFSLWCPVLBMWJF-STQMWFEESA-N 2 2 285.457 0.976 20 0 CCADLP CCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368925067 389387937 /nfs/dbraw/zinc/38/79/37/389387937.db2.gz PVYSJXRKPOWVNL-ZDUSSCGKSA-N 2 2 268.405 0.816 20 0 CCADLP CCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368925067 389387940 /nfs/dbraw/zinc/38/79/40/389387940.db2.gz PVYSJXRKPOWVNL-ZDUSSCGKSA-N 2 2 268.405 0.816 20 0 CCADLP OC[C@@H]1CCCCN1c1cc(N[C@@H]2CC[NH2+]C2)nc[nH+]1 ZINC000333478683 389414778 /nfs/dbraw/zinc/41/47/78/389414778.db2.gz FIFZWOZOSHHHRV-NEPJUHHUSA-N 2 2 277.372 0.602 20 0 CCADLP C1CC1[C@@H](N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[NH2+]CCO1 ZINC000422733369 389461111 /nfs/dbraw/zinc/46/11/11/389461111.db2.gz BDIHRNAXDYWIJL-AEGPPILISA-N 2 2 265.401 0.580 20 0 CCADLP C1CC1[C@@H](N[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[NH2+]CCO1 ZINC000422733369 389461113 /nfs/dbraw/zinc/46/11/13/389461113.db2.gz BDIHRNAXDYWIJL-AEGPPILISA-N 2 2 265.401 0.580 20 0 CCADLP C1CC1[C@@H]([NH2+][C@H]1CCN(C2CC2)C1)[C@@H]1C[NH2+]CCO1 ZINC000422733369 389461117 /nfs/dbraw/zinc/46/11/17/389461117.db2.gz BDIHRNAXDYWIJL-AEGPPILISA-N 2 2 265.401 0.580 20 0 CCADLP C[C@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000422745488 389465135 /nfs/dbraw/zinc/46/51/35/389465135.db2.gz VGUHAHIJLIHSDL-QLFBSQMISA-N 3 2 268.449 0.743 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCC[NH+](CC)CC ZINC000422748772 389466720 /nfs/dbraw/zinc/46/67/20/389466720.db2.gz WARCJOGPQDMFLH-VXGBXAGGSA-N 2 2 257.378 0.211 20 0 CCADLP O=C(NC[C@@H]1CCC[NH2+]C1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000422751017 389467514 /nfs/dbraw/zinc/46/75/14/389467514.db2.gz AUODWFBSNQLIAH-UKRRQHHQSA-N 2 2 295.427 0.746 20 0 CCADLP O=C(NC[C@@H]1CCC[NH2+]C1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000422751017 389467518 /nfs/dbraw/zinc/46/75/18/389467518.db2.gz AUODWFBSNQLIAH-UKRRQHHQSA-N 2 2 295.427 0.746 20 0 CCADLP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000422755899 389468118 /nfs/dbraw/zinc/46/81/18/389468118.db2.gz BZWQVPNTALHQKB-HIFRSBDPSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000422755899 389468120 /nfs/dbraw/zinc/46/81/20/389468120.db2.gz BZWQVPNTALHQKB-HIFRSBDPSA-N 2 2 295.427 0.840 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000422750469 389468160 /nfs/dbraw/zinc/46/81/60/389468160.db2.gz AZGVTYZNXDERJZ-LJISPDSOSA-N 2 2 297.443 0.990 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000422750469 389468161 /nfs/dbraw/zinc/46/81/61/389468161.db2.gz AZGVTYZNXDERJZ-LJISPDSOSA-N 2 2 297.443 0.990 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000422860705 389493936 /nfs/dbraw/zinc/49/39/36/389493936.db2.gz MRQMNVIBBUOLRJ-MGPQQGTHSA-N 2 2 283.416 0.602 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCC[N@H+]1CCC[C@@H](C)C1 ZINC000422860705 389493938 /nfs/dbraw/zinc/49/39/38/389493938.db2.gz MRQMNVIBBUOLRJ-MGPQQGTHSA-N 2 2 283.416 0.602 20 0 CCADLP CC[NH2+]CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000422777956 389472149 /nfs/dbraw/zinc/47/21/49/389472149.db2.gz DCJFHQQZHVHNGY-CYBMUJFWSA-N 2 2 269.389 0.356 20 0 CCADLP CC[NH2+]CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000422777956 389472151 /nfs/dbraw/zinc/47/21/51/389472151.db2.gz DCJFHQQZHVHNGY-CYBMUJFWSA-N 2 2 269.389 0.356 20 0 CCADLP CCN(CC)S(=O)(=O)CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422860485 389494044 /nfs/dbraw/zinc/49/40/44/389494044.db2.gz MNUQCVJYRWXQIZ-NWDGAFQWSA-N 2 2 277.434 0.388 20 0 CCADLP CC(C)[C@H](O)CC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422776564 389472691 /nfs/dbraw/zinc/47/26/91/389472691.db2.gz CZSWGZOLRKZBTG-HZSPNIEDSA-N 2 2 256.390 0.750 20 0 CCADLP C[C@H]1C[C@@H]([NH+](C)CCCS(N)(=O)=O)CC[N@@H+]1C ZINC000172850162 389494451 /nfs/dbraw/zinc/49/44/51/389494451.db2.gz VAKRVCGCLOVCEU-QWRGUYRKSA-N 2 2 263.407 0.080 20 0 CCADLP C[C@H]1C[C@@H]([NH+](C)CCCS(N)(=O)=O)CC[N@H+]1C ZINC000172850162 389494453 /nfs/dbraw/zinc/49/44/53/389494453.db2.gz VAKRVCGCLOVCEU-QWRGUYRKSA-N 2 2 263.407 0.080 20 0 CCADLP C[C@H]1C[C@@H]([N@H+](C)CCCS(N)(=O)=O)CC[NH+]1C ZINC000172850162 389494457 /nfs/dbraw/zinc/49/44/57/389494457.db2.gz VAKRVCGCLOVCEU-QWRGUYRKSA-N 2 2 263.407 0.080 20 0 CCADLP C[C@H]1C[C@@H]([N@@H+](C)CCCS(N)(=O)=O)CC[NH+]1C ZINC000172850162 389494459 /nfs/dbraw/zinc/49/44/59/389494459.db2.gz VAKRVCGCLOVCEU-QWRGUYRKSA-N 2 2 263.407 0.080 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1c1noc([C@H]2CC[NH+](C)C2)n1 ZINC000350049445 389481457 /nfs/dbraw/zinc/48/14/57/389481457.db2.gz SLLATHOIFWRNQZ-WDEREUQCSA-N 2 2 265.361 0.407 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1c1noc([C@H]2CC[NH+](C)C2)n1 ZINC000350049445 389481459 /nfs/dbraw/zinc/48/14/59/389481459.db2.gz SLLATHOIFWRNQZ-WDEREUQCSA-N 2 2 265.361 0.407 20 0 CCADLP CN1CC[NH+](C)C[C@@H]1c1noc([C@H]2CC[N@H+](C)C2)n1 ZINC000350049445 389481462 /nfs/dbraw/zinc/48/14/62/389481462.db2.gz SLLATHOIFWRNQZ-WDEREUQCSA-N 2 2 265.361 0.407 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C[C@@H](C)[NH2+]1 ZINC000422822130 389482507 /nfs/dbraw/zinc/48/25/07/389482507.db2.gz ZYPVJWMNHJETMS-UMVBOHGHSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C[C@@H](C)[NH2+]1 ZINC000422822130 389482513 /nfs/dbraw/zinc/48/25/13/389482513.db2.gz ZYPVJWMNHJETMS-UMVBOHGHSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C[C@@H](C)[NH2+]1 ZINC000422822128 389482922 /nfs/dbraw/zinc/48/29/22/389482922.db2.gz ZYPVJWMNHJETMS-NFAWXSAZSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C[C@@H](C)[NH2+]1 ZINC000422822128 389482926 /nfs/dbraw/zinc/48/29/26/389482926.db2.gz ZYPVJWMNHJETMS-NFAWXSAZSA-N 2 2 295.427 0.696 20 0 CCADLP COC[C@@H](CCC[NH3+])[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000422824799 389484320 /nfs/dbraw/zinc/48/43/20/389484320.db2.gz OLLZWQNQVBASMZ-OLZOCXBDSA-N 3 2 275.462 0.767 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000422843841 389489268 /nfs/dbraw/zinc/48/92/68/389489268.db2.gz JTTFVRFQNJDPHA-HZSPNIEDSA-N 2 2 283.416 0.683 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000422843841 389489272 /nfs/dbraw/zinc/48/92/72/389489272.db2.gz JTTFVRFQNJDPHA-HZSPNIEDSA-N 2 2 283.416 0.683 20 0 CCADLP Cc1cc(C)c(NC(=O)C(=O)N(C)CC[NH+](C)C)c(C)[nH+]1 ZINC000411333344 389424985 /nfs/dbraw/zinc/42/49/85/389424985.db2.gz AGNRVQLRSNSWMC-UHFFFAOYSA-N 2 2 292.383 0.965 20 0 CCADLP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CS(=O)(=O)CC)C1 ZINC000163996393 389430878 /nfs/dbraw/zinc/43/08/78/389430878.db2.gz VFBNIKLLLVZGRU-NWDGAFQWSA-N 2 2 262.419 0.741 20 0 CCADLP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CS(=O)(=O)CC)C1 ZINC000163996393 389430880 /nfs/dbraw/zinc/43/08/80/389430880.db2.gz VFBNIKLLLVZGRU-NWDGAFQWSA-N 2 2 262.419 0.741 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)C(C)(C)C[NH3+] ZINC000164940025 389436956 /nfs/dbraw/zinc/43/69/56/389436956.db2.gz YUMRRJDLVCTNSW-UHFFFAOYSA-N 2 2 250.346 0.749 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCCC[NH2+]1)Cn1cc[nH+]c1 ZINC000165583423 389439994 /nfs/dbraw/zinc/43/99/94/389439994.db2.gz QNLJFTAIQHPXST-NWDGAFQWSA-N 2 2 250.346 0.778 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCN1CCOCC1(C)C ZINC000422704356 389455398 /nfs/dbraw/zinc/45/53/98/389455398.db2.gz KLOJXQCBJQXNCD-KGLIPLIRSA-N 2 2 285.432 0.454 20 0 CCADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CC[NH2+]CC1 ZINC000422708455 389456540 /nfs/dbraw/zinc/45/65/40/389456540.db2.gz XQXKHDROFZTVJM-UHFFFAOYSA-N 2 2 284.363 0.906 20 0 CCADLP CS[C@H]1CN(CCn2cc[nH+]c2)C[C@H]1[NH+](C)C ZINC000272019767 389457364 /nfs/dbraw/zinc/45/73/64/389457364.db2.gz LEVYETIQBDFLQO-NEPJUHHUSA-N 2 2 254.403 0.861 20 0 CCADLP CC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422715834 389457597 /nfs/dbraw/zinc/45/75/97/389457597.db2.gz MUASXQNHAGULTN-KBPBESRZSA-N 3 2 282.432 0.271 20 0 CCADLP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCCC[NH2+]1 ZINC000422720828 389458634 /nfs/dbraw/zinc/45/86/34/389458634.db2.gz TYVCNCBKBVWLKC-ZIAGYGMSSA-N 3 2 282.432 0.271 20 0 CCADLP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000422975434 389514027 /nfs/dbraw/zinc/51/40/27/389514027.db2.gz GRCUIJRLXVHCBT-LSDHHAIUSA-N 3 2 269.433 0.811 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1NCC1([NH+](C)C)CCC1 ZINC000423057355 389528347 /nfs/dbraw/zinc/52/83/47/389528347.db2.gz HESIEWQDQTWZSW-NEPJUHHUSA-N 2 2 269.389 0.354 20 0 CCADLP CCOC1CC(O)(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000423082424 389531706 /nfs/dbraw/zinc/53/17/06/389531706.db2.gz FGFDLJCBGSISCW-FUUBYGMNSA-N 2 2 284.400 0.273 20 0 CCADLP C[C@H]1CN(C(=O)CC(C)(C)O)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000350670330 389532303 /nfs/dbraw/zinc/53/23/03/389532303.db2.gz RSVKFDSJISSZRM-ZDUSSCGKSA-N 2 2 297.443 0.774 20 0 CCADLP C[C@H]1CN(C(=O)CC(C)(C)O)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000350670330 389532305 /nfs/dbraw/zinc/53/23/05/389532305.db2.gz RSVKFDSJISSZRM-ZDUSSCGKSA-N 2 2 297.443 0.774 20 0 CCADLP CC[C@@H]1CN(CC[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)CCO1 ZINC000423090608 389533060 /nfs/dbraw/zinc/53/30/60/389533060.db2.gz VUTCLOQAVXELNE-QLFBSQMISA-N 2 2 285.432 0.454 20 0 CCADLP C[C@H]1C[C@@H]([NH+](C)CC(=O)NC[C@@H]2CCCO2)CC[N@@H+]1C ZINC000177060489 389570418 /nfs/dbraw/zinc/57/04/18/389570418.db2.gz VQZKMNFEHLVVCF-IHRRRGAJSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H]1C[C@@H]([NH+](C)CC(=O)NC[C@@H]2CCCO2)CC[N@H+]1C ZINC000177060489 389570422 /nfs/dbraw/zinc/57/04/22/389570422.db2.gz VQZKMNFEHLVVCF-IHRRRGAJSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H]1C[C@@H]([N@H+](C)CC(=O)NC[C@@H]2CCCO2)CC[NH+]1C ZINC000177060489 389570429 /nfs/dbraw/zinc/57/04/29/389570429.db2.gz VQZKMNFEHLVVCF-IHRRRGAJSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)NC[C@@H]2CCCO2)CC[NH+]1C ZINC000177060489 389570433 /nfs/dbraw/zinc/57/04/33/389570433.db2.gz VQZKMNFEHLVVCF-IHRRRGAJSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000423144765 389543539 /nfs/dbraw/zinc/54/35/39/389543539.db2.gz HWTQEAUTBMWXIY-UONOGXRCSA-N 3 2 257.422 0.940 20 0 CCADLP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000423144765 389543543 /nfs/dbraw/zinc/54/35/43/389543543.db2.gz HWTQEAUTBMWXIY-UONOGXRCSA-N 3 2 257.422 0.940 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1NCC1([NH3+])CCCCC1 ZINC000423181724 389549507 /nfs/dbraw/zinc/54/95/07/389549507.db2.gz PIYUENYDDKGFLR-RYUDHWBXSA-N 2 2 269.389 0.531 20 0 CCADLP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CC1([NH3+])CCCCC1 ZINC000423181724 389549513 /nfs/dbraw/zinc/54/95/13/389549513.db2.gz PIYUENYDDKGFLR-RYUDHWBXSA-N 2 2 269.389 0.531 20 0 CCADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000423314579 389562776 /nfs/dbraw/zinc/56/27/76/389562776.db2.gz WKHJSWDFGHJPFW-LLVKDONJSA-N 2 2 285.413 0.984 20 0 CCADLP CCC[NH2+]CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423314813 389562925 /nfs/dbraw/zinc/56/29/25/389562925.db2.gz WOGSEXPMJKUGLG-MJBXVCDLSA-N 3 2 255.406 0.733 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423317038 389563120 /nfs/dbraw/zinc/56/31/20/389563120.db2.gz BEMCPOKACPRUQD-CHWSQXEVSA-N 3 2 255.406 0.733 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000422878392 389498661 /nfs/dbraw/zinc/49/86/61/389498661.db2.gz STWYLAQAXJCBKH-RGCMKSIDSA-N 2 2 267.417 0.826 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)n1C ZINC000414358027 389612847 /nfs/dbraw/zinc/61/28/47/389612847.db2.gz AZQPONGGLWECAE-NSHDSACASA-N 2 2 293.415 0.975 20 0 CCADLP Cc1ccn2c(C[NH2+]C[C@H]3C[NH2+]CCN3C)cnc2c1 ZINC000414959376 389647483 /nfs/dbraw/zinc/64/74/83/389647483.db2.gz FFKNTMNIOXTSEL-CYBMUJFWSA-N 2 2 273.384 0.636 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CCN(C)C(=O)C1 ZINC000424330272 389622724 /nfs/dbraw/zinc/62/27/24/389622724.db2.gz RRNXHOUIQPVUGT-BZPMIXESSA-N 2 2 265.401 0.927 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CCN(C)C(=O)C1 ZINC000424330272 389622730 /nfs/dbraw/zinc/62/27/30/389622730.db2.gz RRNXHOUIQPVUGT-BZPMIXESSA-N 2 2 265.401 0.927 20 0 CCADLP COC(=O)[C@@H](O)C1CC[NH+](C[C@@H]([NH3+])CC(C)C)CC1 ZINC000414698434 389627929 /nfs/dbraw/zinc/62/79/29/389627929.db2.gz DHLZYLDTAUIVTR-STQMWFEESA-N 2 2 272.389 0.606 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000414736268 389634148 /nfs/dbraw/zinc/63/41/48/389634148.db2.gz GLCFUQAATHILBH-AAEUAGOBSA-N 2 2 268.405 0.896 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000414736268 389634150 /nfs/dbraw/zinc/63/41/50/389634150.db2.gz GLCFUQAATHILBH-AAEUAGOBSA-N 2 2 268.405 0.896 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@H]1[NH2+]CCCC1(C)C)[NH+]1CCOCC1 ZINC000423386424 389577685 /nfs/dbraw/zinc/57/76/85/389577685.db2.gz RVKOVDXSKGRPMX-BFHYXJOUSA-N 2 2 297.443 0.990 20 0 CCADLP COCC1(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CC[NH2+]CC1 ZINC000423410223 389581544 /nfs/dbraw/zinc/58/15/44/389581544.db2.gz RMLABHKKBUIRMY-STQMWFEESA-N 3 2 255.406 0.542 20 0 CCADLP COCC1(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CC[NH2+]CC1 ZINC000423410223 389581547 /nfs/dbraw/zinc/58/15/47/389581547.db2.gz RMLABHKKBUIRMY-STQMWFEESA-N 3 2 255.406 0.542 20 0 CCADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(=O)n4[nH]ccc4n3)C[C@@H]12 ZINC000351478494 389586892 /nfs/dbraw/zinc/58/68/92/389586892.db2.gz PMLHOSCYFWULKA-MVWJERBFSA-N 2 2 273.340 0.192 20 0 CCADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(=O)n4[nH]ccc4n3)C[C@@H]12 ZINC000351478494 389586894 /nfs/dbraw/zinc/58/68/94/389586894.db2.gz PMLHOSCYFWULKA-MVWJERBFSA-N 2 2 273.340 0.192 20 0 CCADLP C[C@H](C[NH3+])CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000423469819 389590805 /nfs/dbraw/zinc/59/08/05/389590805.db2.gz YWHKNBRICFXFPN-YPMHNXCESA-N 2 2 269.389 0.198 20 0 CCADLP C[C@H](C[NH3+])CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000423469819 389590808 /nfs/dbraw/zinc/59/08/08/389590808.db2.gz YWHKNBRICFXFPN-YPMHNXCESA-N 2 2 269.389 0.198 20 0 CCADLP C[C@@H](CC[NH3+])NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000423504435 389596529 /nfs/dbraw/zinc/59/65/29/389596529.db2.gz GLFMTLBOWPWFTA-WCQYABFASA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H](CC[NH3+])NC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000423504435 389596531 /nfs/dbraw/zinc/59/65/31/389596531.db2.gz GLFMTLBOWPWFTA-WCQYABFASA-N 2 2 269.389 0.341 20 0 CCADLP COC[C@@]1(C[NH2+]Cc2c(C)n[nH]c2C)CCC[NH2+]1 ZINC000414944098 389646521 /nfs/dbraw/zinc/64/65/21/389646521.db2.gz NIROMPOUSCTJQD-ZDUSSCGKSA-N 2 2 252.362 0.885 20 0 CCADLP COCC[NH+]1CCC([NH2+][C@@H]2CCCN(C)C2=O)CC1 ZINC000351890074 389708482 /nfs/dbraw/zinc/70/84/82/389708482.db2.gz MWIPYCCDVBCZKD-CYBMUJFWSA-N 2 2 269.389 0.308 20 0 CCADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000414972788 389649121 /nfs/dbraw/zinc/64/91/21/389649121.db2.gz YIBBEGWRQVZOEV-ZDUSSCGKSA-N 2 2 265.405 0.631 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)oc1C ZINC000414968185 389649414 /nfs/dbraw/zinc/64/94/14/389649414.db2.gz RMDLLCCCAKUSEZ-NSHDSACASA-N 2 2 281.356 0.368 20 0 CCADLP COCCn1cc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cn1 ZINC000415057797 389654511 /nfs/dbraw/zinc/65/45/11/389654511.db2.gz UIULHDVVIJFMFB-GFCCVEGCSA-N 2 2 254.378 0.993 20 0 CCADLP C[N@@H+](Cc1cnn(Cc2ccc(F)cc2)c1)C[C@@H](O)C[NH3+] ZINC000415069004 389655384 /nfs/dbraw/zinc/65/53/84/389655384.db2.gz OCRFDSJXYKLBGG-HNNXBMFYSA-N 2 2 292.358 0.822 20 0 CCADLP C[N@H+](Cc1cnn(Cc2ccc(F)cc2)c1)C[C@@H](O)C[NH3+] ZINC000415069004 389655386 /nfs/dbraw/zinc/65/53/86/389655386.db2.gz OCRFDSJXYKLBGG-HNNXBMFYSA-N 2 2 292.358 0.822 20 0 CCADLP Cc1ccccc1-n1nccc1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000415072230 389655781 /nfs/dbraw/zinc/65/57/81/389655781.db2.gz VVWOHMNESIRKLS-AWEZNQCLSA-N 2 2 274.368 0.932 20 0 CCADLP Cc1ccccc1-n1nccc1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000415072230 389655785 /nfs/dbraw/zinc/65/57/85/389655785.db2.gz VVWOHMNESIRKLS-AWEZNQCLSA-N 2 2 274.368 0.932 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2cccc3c2OCO3)CCCO1 ZINC000415119612 389661889 /nfs/dbraw/zinc/66/18/89/389661889.db2.gz YZKBBKLQVOKQIP-LBPRGKRZSA-N 2 2 264.325 0.965 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2cccc3c2OCO3)CCCO1 ZINC000415119612 389661891 /nfs/dbraw/zinc/66/18/91/389661891.db2.gz YZKBBKLQVOKQIP-LBPRGKRZSA-N 2 2 264.325 0.965 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N1CCCC1 ZINC000181109986 389681562 /nfs/dbraw/zinc/68/15/62/389681562.db2.gz ATMFVHGMIGHGRD-UHFFFAOYSA-N 2 2 250.346 0.827 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N1CCCC1 ZINC000181109986 389681566 /nfs/dbraw/zinc/68/15/66/389681566.db2.gz ATMFVHGMIGHGRD-UHFFFAOYSA-N 2 2 250.346 0.827 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N(C)c2nccs2)C1 ZINC000351857629 389700261 /nfs/dbraw/zinc/70/02/61/389700261.db2.gz YAMXYEGGIVEJFK-UWVGGRQHSA-N 2 2 268.386 0.775 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N(C)c2nccs2)C1 ZINC000351857629 389700264 /nfs/dbraw/zinc/70/02/64/389700264.db2.gz YAMXYEGGIVEJFK-UWVGGRQHSA-N 2 2 268.386 0.775 20 0 CCADLP C[C@@H]([NH2+]CCCN1CCOCC1)[C@H]1CCCC[NH2+]1 ZINC000386521037 389766057 /nfs/dbraw/zinc/76/60/57/389766057.db2.gz YUAPVIVSDVLBLX-ZIAGYGMSSA-N 2 2 255.406 0.829 20 0 CCADLP C[C@@H](NCCC[NH+]1CCOCC1)[C@H]1CCCC[NH2+]1 ZINC000386521037 389766066 /nfs/dbraw/zinc/76/60/66/389766066.db2.gz YUAPVIVSDVLBLX-ZIAGYGMSSA-N 2 2 255.406 0.829 20 0 CCADLP COCC(COC)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000388500141 389770157 /nfs/dbraw/zinc/77/01/57/389770157.db2.gz LTEUGDZSNTXGPY-UHFFFAOYSA-N 2 2 256.350 0.237 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000416812246 389773023 /nfs/dbraw/zinc/77/30/23/389773023.db2.gz DNHXCYUGZNKGHU-LBPRGKRZSA-N 2 2 286.420 0.252 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000416837735 389775173 /nfs/dbraw/zinc/77/51/73/389775173.db2.gz ARWPTVMWFCFKKW-WDEREUQCSA-N 2 2 251.334 0.180 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)COCCOC ZINC000394387841 389775785 /nfs/dbraw/zinc/77/57/85/389775785.db2.gz IFIUDBWDHGILCL-QLFBSQMISA-N 2 2 286.416 0.569 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)COCCOC ZINC000394387841 389775788 /nfs/dbraw/zinc/77/57/88/389775788.db2.gz IFIUDBWDHGILCL-QLFBSQMISA-N 2 2 286.416 0.569 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)COCCOC ZINC000394387841 389775790 /nfs/dbraw/zinc/77/57/90/389775790.db2.gz IFIUDBWDHGILCL-QLFBSQMISA-N 2 2 286.416 0.569 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)COCCOC ZINC000394387841 389775794 /nfs/dbraw/zinc/77/57/94/389775794.db2.gz IFIUDBWDHGILCL-QLFBSQMISA-N 2 2 286.416 0.569 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000417008440 389789249 /nfs/dbraw/zinc/78/92/49/389789249.db2.gz ISFPUKACSQBBIF-NXEZZACHSA-N 2 2 265.361 0.683 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)CC(C)(C)C[NH3+] ZINC000417020814 389790391 /nfs/dbraw/zinc/79/03/91/389790391.db2.gz HWMQJOLEHDXDTR-GFCCVEGCSA-N 2 2 286.420 0.333 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000417040716 389791652 /nfs/dbraw/zinc/79/16/52/389791652.db2.gz VSPZHARYLBFFOO-UPJWGTAASA-N 2 2 284.404 0.086 20 0 CCADLP C[C@@H](CCCC[NH3+])NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000417041580 389791667 /nfs/dbraw/zinc/79/16/67/389791667.db2.gz WKAJXFQGRZBXCW-STQMWFEESA-N 2 2 286.420 0.524 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)CC1 ZINC000376149900 389730391 /nfs/dbraw/zinc/73/03/91/389730391.db2.gz KCLFVNJWDHBUCX-QWHCGFSZSA-N 2 2 267.373 0.014 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCO[C@@H]3CCC[C@@H]32)CC1 ZINC000376149900 389730393 /nfs/dbraw/zinc/73/03/93/389730393.db2.gz KCLFVNJWDHBUCX-QWHCGFSZSA-N 2 2 267.373 0.014 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)N[C@H]1C[NH2+]CCC1(F)F ZINC000416431983 389742158 /nfs/dbraw/zinc/74/21/58/389742158.db2.gz CYQMZEOIJGAOCS-JTQLQIEISA-N 2 2 287.314 0.570 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCCC[C@H]1C[NH3+] ZINC000416432411 389742596 /nfs/dbraw/zinc/74/25/96/389742596.db2.gz KBHZJLUERMQBQN-NEPJUHHUSA-N 2 2 265.361 0.794 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC([NH3+])CC1 ZINC000430608457 389812417 /nfs/dbraw/zinc/81/24/17/389812417.db2.gz FKXFNMPNHAEVQW-VIFPVBQESA-N 2 2 270.377 0.422 20 0 CCADLP C[C@@]1(C[NH3+])CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000417410631 389813186 /nfs/dbraw/zinc/81/31/86/389813186.db2.gz BUGAKBVRANPWLB-HNNXBMFYSA-N 2 2 298.431 0.478 20 0 CCADLP C[C@@]1(C[NH3+])CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000417410631 389813190 /nfs/dbraw/zinc/81/31/90/389813190.db2.gz BUGAKBVRANPWLB-HNNXBMFYSA-N 2 2 298.431 0.478 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430628507 389813820 /nfs/dbraw/zinc/81/38/20/389813820.db2.gz OTQREDWXJLOKLY-QWRGUYRKSA-N 2 2 284.404 0.670 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430628507 389813823 /nfs/dbraw/zinc/81/38/23/389813823.db2.gz OTQREDWXJLOKLY-QWRGUYRKSA-N 2 2 284.404 0.670 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430628509 389814398 /nfs/dbraw/zinc/81/43/98/389814398.db2.gz OTQREDWXJLOKLY-WDEREUQCSA-N 2 2 284.404 0.670 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430628509 389814400 /nfs/dbraw/zinc/81/44/00/389814400.db2.gz OTQREDWXJLOKLY-WDEREUQCSA-N 2 2 284.404 0.670 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000430639271 389815700 /nfs/dbraw/zinc/81/57/00/389815700.db2.gz OVEQWQABNAXYJD-VHSXEESVSA-N 2 2 279.306 0.820 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000430639271 389815703 /nfs/dbraw/zinc/81/57/03/389815703.db2.gz OVEQWQABNAXYJD-VHSXEESVSA-N 2 2 279.306 0.820 20 0 CCADLP COCC[C@@]1(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC[NH2+]C1 ZINC000430688592 389817697 /nfs/dbraw/zinc/81/76/97/389817697.db2.gz YNMNJWUAGCERNR-JSGCOSHPSA-N 2 2 280.372 0.404 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000417497996 389820806 /nfs/dbraw/zinc/82/08/06/389820806.db2.gz CRIVRDLHPWVOCH-LBPRGKRZSA-N 2 2 286.420 0.380 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000417497996 389820809 /nfs/dbraw/zinc/82/08/09/389820809.db2.gz CRIVRDLHPWVOCH-LBPRGKRZSA-N 2 2 286.420 0.380 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NCC[N@@H+]2CCOCC2(C)C)CC[NH2+]1 ZINC000417499268 389821694 /nfs/dbraw/zinc/82/16/94/389821694.db2.gz FREOCLJVPDCOPH-OLZOCXBDSA-N 2 2 298.431 0.537 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NCC[N@H+]2CCOCC2(C)C)CC[NH2+]1 ZINC000417499268 389821695 /nfs/dbraw/zinc/82/16/95/389821695.db2.gz FREOCLJVPDCOPH-OLZOCXBDSA-N 2 2 298.431 0.537 20 0 CCADLP O=C(COC1C[NH2+]C1)Nc1ccccc1-n1cc[nH+]c1 ZINC000430752800 389822987 /nfs/dbraw/zinc/82/29/87/389822987.db2.gz HZZZILXBJJXZTG-UHFFFAOYSA-N 2 2 272.308 0.799 20 0 CCADLP CCC[NH2+]CCNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000417522221 389825921 /nfs/dbraw/zinc/82/59/21/389825921.db2.gz QAUQLHZIOGFMSR-OLZOCXBDSA-N 2 2 286.420 0.394 20 0 CCADLP C[NH2+][C@@H]1CCCN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC000417533340 389828139 /nfs/dbraw/zinc/82/81/39/389828139.db2.gz XJHFHVFHHVYUII-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP C[NH2+][C@@H]1CCCN(C(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC000417533340 389828142 /nfs/dbraw/zinc/82/81/42/389828142.db2.gz XJHFHVFHHVYUII-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)N2CC(=O)Nc3ccccc32)C1 ZINC000430917144 389834095 /nfs/dbraw/zinc/83/40/95/389834095.db2.gz CLECKANQUMZZKU-LLVKDONJSA-N 2 2 288.351 0.252 20 0 CCADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)N2CC(=O)Nc3ccccc32)C1 ZINC000430917144 389834098 /nfs/dbraw/zinc/83/40/98/389834098.db2.gz CLECKANQUMZZKU-LLVKDONJSA-N 2 2 288.351 0.252 20 0 CCADLP C[C@H](C(=O)N(C)C1CC[NH+](C)CC1)[NH+]1CCN(C)CC1 ZINC000352780916 389837187 /nfs/dbraw/zinc/83/71/87/389837187.db2.gz WMFOBJQLFZBMLH-CYBMUJFWSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430944663 389838628 /nfs/dbraw/zinc/83/86/28/389838628.db2.gz NJJBHCXFIKHILK-MXWKQRLJSA-N 2 2 263.345 0.473 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430944663 389838629 /nfs/dbraw/zinc/83/86/29/389838629.db2.gz NJJBHCXFIKHILK-MXWKQRLJSA-N 2 2 263.345 0.473 20 0 CCADLP C[C@@H]1C[N@H+](CCNS(=O)(=O)c2ccccc2)CC[C@H]1[NH3+] ZINC000430960053 389841362 /nfs/dbraw/zinc/84/13/62/389841362.db2.gz GMZNADPMQISVGV-TZMCWYRMSA-N 2 2 297.424 0.634 20 0 CCADLP C[C@@H]1C[N@@H+](CCNS(=O)(=O)c2ccccc2)CC[C@H]1[NH3+] ZINC000430960053 389841364 /nfs/dbraw/zinc/84/13/64/389841364.db2.gz GMZNADPMQISVGV-TZMCWYRMSA-N 2 2 297.424 0.634 20 0 CCADLP Cc1cc(N2CC[C@H]([N@H+]3CC[C@@H]([NH3+])[C@H](C)C3)C2=O)n(C)n1 ZINC000430960578 389841398 /nfs/dbraw/zinc/84/13/98/389841398.db2.gz KGCVXEXCDKEWSW-RTXFEEFZSA-N 2 2 291.399 0.503 20 0 CCADLP Cc1cc(N2CC[C@H]([N@@H+]3CC[C@@H]([NH3+])[C@H](C)C3)C2=O)n(C)n1 ZINC000430960578 389841399 /nfs/dbraw/zinc/84/13/99/389841399.db2.gz KGCVXEXCDKEWSW-RTXFEEFZSA-N 2 2 291.399 0.503 20 0 CCADLP Cn1cc(C[NH+]2CCN(C(=O)[C@H]3CC[C@@H]([NH3+])C3)CC2)cn1 ZINC000431013577 389845351 /nfs/dbraw/zinc/84/53/51/389845351.db2.gz YTXMCKWMWFCRSG-UONOGXRCSA-N 2 2 291.399 0.192 20 0 CCADLP O=C(COC1C[NH2+]C1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000431061322 389849017 /nfs/dbraw/zinc/84/90/17/389849017.db2.gz VPQWOTCMFBPNSA-UHFFFAOYSA-N 2 2 290.298 0.938 20 0 CCADLP C[NH+]1CCC(CNC(=O)NCC[NH3+])([NH+]2CCCCC2)CC1 ZINC000417767302 389849652 /nfs/dbraw/zinc/84/96/52/389849652.db2.gz QGRMNBKZTXYRDT-UHFFFAOYSA-N 3 2 297.447 0.195 20 0 CCADLP C[NH+](C)C1CC[NH+](C[C@@H](O)COCC(F)(F)F)CC1 ZINC000431110194 389850361 /nfs/dbraw/zinc/85/03/61/389850361.db2.gz YQUIZGGYUOHMDO-LLVKDONJSA-N 2 2 284.322 0.952 20 0 CCADLP C[C@@H]([NH3+])CN1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000442659523 389854172 /nfs/dbraw/zinc/85/41/72/389854172.db2.gz KXBFFTVRZMKZPE-OLZOCXBDSA-N 2 2 282.432 0.399 20 0 CCADLP CC(C)OCCCNC(=O)C1CC[NH+](C[C@@H](C)[NH3+])CC1 ZINC000442666459 389854567 /nfs/dbraw/zinc/85/45/67/389854567.db2.gz RCWHIMSUQZDJIM-CYBMUJFWSA-N 2 2 285.432 0.977 20 0 CCADLP [NH3+]CCNC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000417843145 389856154 /nfs/dbraw/zinc/85/61/54/389856154.db2.gz NCIQBSZEIIMFQC-UHFFFAOYSA-N 2 2 287.367 0.884 20 0 CCADLP CCOC1CC(O)(C[NH2+][C@H]2C[N@H+](CC)C[C@@H]2C)C1 ZINC000444006566 389887917 /nfs/dbraw/zinc/88/79/17/389887917.db2.gz BAMGDFIPNRQSPV-AHPWVWPOSA-N 2 2 256.390 0.846 20 0 CCADLP CCOC1CC(O)(C[NH2+][C@H]2C[N@@H+](CC)C[C@@H]2C)C1 ZINC000444006566 389887920 /nfs/dbraw/zinc/88/79/20/389887920.db2.gz BAMGDFIPNRQSPV-AHPWVWPOSA-N 2 2 256.390 0.846 20 0 CCADLP COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000419358008 389891580 /nfs/dbraw/zinc/89/15/80/389891580.db2.gz OUNWOVBWGMTTMF-OLZOCXBDSA-N 2 2 297.399 0.224 20 0 CCADLP COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000419358008 389891581 /nfs/dbraw/zinc/89/15/81/389891581.db2.gz OUNWOVBWGMTTMF-OLZOCXBDSA-N 2 2 297.399 0.224 20 0 CCADLP COC(=O)CNC(=O)[C@@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000419358008 389891582 /nfs/dbraw/zinc/89/15/82/389891582.db2.gz OUNWOVBWGMTTMF-OLZOCXBDSA-N 2 2 297.399 0.224 20 0 CCADLP COC(=O)CNC(=O)[C@@H]1CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000419358008 389891584 /nfs/dbraw/zinc/89/15/84/389891584.db2.gz OUNWOVBWGMTTMF-OLZOCXBDSA-N 2 2 297.399 0.224 20 0 CCADLP O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CC[NH2+]1 ZINC000444172259 389893929 /nfs/dbraw/zinc/89/39/29/389893929.db2.gz XJUKWFNPYFKDOA-CQSZACIVSA-N 2 2 275.352 0.819 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](CCC2CCOCC2)CC1 ZINC000432941589 389894297 /nfs/dbraw/zinc/89/42/97/389894297.db2.gz WEYLVDXTDFMVPK-UHFFFAOYSA-N 2 2 283.416 0.509 20 0 CCADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444182794 389895336 /nfs/dbraw/zinc/89/53/36/389895336.db2.gz MFPGSJZHLMHIDI-CQSZACIVSA-N 2 2 289.379 0.701 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000447438953 389955435 /nfs/dbraw/zinc/95/54/35/389955435.db2.gz IDWCPYFULWWNKL-NSHDSACASA-N 2 2 266.345 0.199 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[NH2+][C@H](C)C2)nc[nH+]1 ZINC000420187443 389963819 /nfs/dbraw/zinc/96/38/19/389963819.db2.gz DJZILAOHWIIOKI-ZJUUUORDSA-N 2 2 251.334 0.067 20 0 CCADLP CNc1nc(NC[C@H](C)C[NH2+]C)[nH+]c2ccccc21 ZINC000420207643 389965719 /nfs/dbraw/zinc/96/57/19/389965719.db2.gz QMCXRPSZTLWWQM-SNVBAGLBSA-N 2 2 259.357 0.783 20 0 CCADLP C[NH2+]C[C@@H](C)CNc1[nH+]cnc(-n2cccn2)c1N ZINC000420211531 389966336 /nfs/dbraw/zinc/96/63/36/389966336.db2.gz SRCKEPVLVUDYTD-SECBINFHSA-N 2 2 261.333 0.512 20 0 CCADLP C[C@H]1CN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)CC[NH2+]1 ZINC000420237842 389970735 /nfs/dbraw/zinc/97/07/35/389970735.db2.gz MFSDXERYAIUGCS-RYUDHWBXSA-N 2 2 277.372 0.236 20 0 CCADLP C[C@@H](O)CNc1cc(N2CCC[C@]3(CC[NH2+]C3)C2)nc[nH+]1 ZINC000420251464 389973453 /nfs/dbraw/zinc/97/34/53/389973453.db2.gz LPIPISLXJSPWIB-IUODEOHRSA-N 2 2 291.399 0.849 20 0 CCADLP C[C@@H](O)CNc1cc(N2CCC[C@]3(CC[NH2+]C3)C2)[nH+]cn1 ZINC000420251464 389973454 /nfs/dbraw/zinc/97/34/54/389973454.db2.gz LPIPISLXJSPWIB-IUODEOHRSA-N 2 2 291.399 0.849 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]Cc1ccc(OC)nc1 ZINC000436413956 389975779 /nfs/dbraw/zinc/97/57/79/389975779.db2.gz UVQOGLMHIFBRQY-UHFFFAOYSA-N 2 2 253.346 0.494 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]Cc1ccc(OC)nc1 ZINC000436413956 389975782 /nfs/dbraw/zinc/97/57/82/389975782.db2.gz UVQOGLMHIFBRQY-UHFFFAOYSA-N 2 2 253.346 0.494 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CCCCCO)CC1 ZINC000434667667 389940631 /nfs/dbraw/zinc/94/06/31/389940631.db2.gz YEBCWADMUGGPBQ-CQSZACIVSA-N 2 2 285.432 0.633 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CCCCCO)CC1 ZINC000434667667 389940633 /nfs/dbraw/zinc/94/06/33/389940633.db2.gz YEBCWADMUGGPBQ-CQSZACIVSA-N 2 2 285.432 0.633 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(N2CCOCC2)CC1 ZINC000434786011 389946077 /nfs/dbraw/zinc/94/60/77/389946077.db2.gz NIQCFMYZQKQURQ-QWHCGFSZSA-N 2 2 253.390 0.391 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(N2CCOCC2)CC1 ZINC000434786011 389946078 /nfs/dbraw/zinc/94/60/78/389946078.db2.gz NIQCFMYZQKQURQ-QWHCGFSZSA-N 2 2 253.390 0.391 20 0 CCADLP CC(=O)[C@H](NC(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C)C(C)C ZINC000420353057 389989420 /nfs/dbraw/zinc/98/94/20/389989420.db2.gz BHGIJGPPSUAWNX-WCQYABFASA-N 2 2 271.405 0.679 20 0 CCADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)C[NH3+])c(F)c1 ZINC000420355487 389990167 /nfs/dbraw/zinc/99/01/67/389990167.db2.gz PRDGLBLGDDNOTK-MNOVXSKESA-N 2 2 283.347 0.713 20 0 CCADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])c(F)c1 ZINC000420355487 389990168 /nfs/dbraw/zinc/99/01/68/389990168.db2.gz PRDGLBLGDDNOTK-MNOVXSKESA-N 2 2 283.347 0.713 20 0 CCADLP Cc1ccccc1C[C@H](C)NC(=O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420362572 389991860 /nfs/dbraw/zinc/99/18/60/389991860.db2.gz ZDKXSIXTFXIRGD-ZFWWWQNUSA-N 2 2 293.411 0.294 20 0 CCADLP Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420362572 389991862 /nfs/dbraw/zinc/99/18/62/389991862.db2.gz ZDKXSIXTFXIRGD-ZFWWWQNUSA-N 2 2 293.411 0.294 20 0 CCADLP COC(=O)[C@@H]1c2ccccc2CC[N@H+]1CCOCC[NH3+] ZINC000420370902 389993774 /nfs/dbraw/zinc/99/37/74/389993774.db2.gz ZKZVGUOQAJMUKP-AWEZNQCLSA-N 2 2 278.352 0.734 20 0 CCADLP COC(=O)[C@@H]1c2ccccc2CC[N@@H+]1CCOCC[NH3+] ZINC000420370902 389993776 /nfs/dbraw/zinc/99/37/76/389993776.db2.gz ZKZVGUOQAJMUKP-AWEZNQCLSA-N 2 2 278.352 0.734 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420376860 389994150 /nfs/dbraw/zinc/99/41/50/389994150.db2.gz ARMFCUJHRYCUFK-NWDGAFQWSA-N 2 2 282.388 0.296 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420376860 389994151 /nfs/dbraw/zinc/99/41/51/389994151.db2.gz ARMFCUJHRYCUFK-NWDGAFQWSA-N 2 2 282.388 0.296 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)NCc1cccnc1 ZINC000420378855 389994939 /nfs/dbraw/zinc/99/49/39/389994939.db2.gz XHVXBNKDBWVJET-JMSVASOKSA-N 2 2 276.384 0.674 20 0 CCADLP Cn1cc[nH+]c1CN1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000438101564 390000443 /nfs/dbraw/zinc/00/04/43/390000443.db2.gz UBIRNOLGRPAKFN-CQSZACIVSA-N 2 2 278.400 0.964 20 0 CCADLP COc1cc(C)[nH+]c(CN2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000438271589 390004069 /nfs/dbraw/zinc/00/40/69/390004069.db2.gz OIAZDWAEKIYNJO-CYBMUJFWSA-N 2 2 279.384 0.897 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000457000470 390023665 /nfs/dbraw/zinc/02/36/65/390023665.db2.gz UTROCTKUDBSGBZ-CABCVRRESA-N 2 2 289.379 0.490 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000457000470 390023668 /nfs/dbraw/zinc/02/36/68/390023668.db2.gz UTROCTKUDBSGBZ-CABCVRRESA-N 2 2 289.379 0.490 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CCN2C(=O)N[C@H](C)C2=O)C1 ZINC000459347719 390072946 /nfs/dbraw/zinc/07/29/46/390072946.db2.gz CVRBCOMQXXYJFM-OLZOCXBDSA-N 2 2 296.415 0.590 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCN2C(=O)N[C@H](C)C2=O)C1 ZINC000459347719 390072947 /nfs/dbraw/zinc/07/29/47/390072947.db2.gz CVRBCOMQXXYJFM-OLZOCXBDSA-N 2 2 296.415 0.590 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CCN2C(=O)N[C@H](C)C2=O)C1 ZINC000459347719 390072948 /nfs/dbraw/zinc/07/29/48/390072948.db2.gz CVRBCOMQXXYJFM-OLZOCXBDSA-N 2 2 296.415 0.590 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCN2C(=O)N[C@H](C)C2=O)C1 ZINC000459347719 390072949 /nfs/dbraw/zinc/07/29/49/390072949.db2.gz CVRBCOMQXXYJFM-OLZOCXBDSA-N 2 2 296.415 0.590 20 0 CCADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492762554 390118429 /nfs/dbraw/zinc/11/84/29/390118429.db2.gz HROSUCDVTOGYBX-RXNFCKPNSA-N 2 2 292.383 0.727 20 0 CCADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492762554 390118430 /nfs/dbraw/zinc/11/84/30/390118430.db2.gz HROSUCDVTOGYBX-RXNFCKPNSA-N 2 2 292.383 0.727 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000487507343 390087880 /nfs/dbraw/zinc/08/78/80/390087880.db2.gz WMFWOVNBBDWWDO-MCIONIFRSA-N 2 2 283.416 0.363 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000487507343 390087881 /nfs/dbraw/zinc/08/78/81/390087881.db2.gz WMFWOVNBBDWWDO-MCIONIFRSA-N 2 2 283.416 0.363 20 0 CCADLP C[N@H+](Cc1ccnc(N)c1)C1CC[NH+](CCO)CC1 ZINC000487902895 390090372 /nfs/dbraw/zinc/09/03/72/390090372.db2.gz AEIWYLGARBOIES-UHFFFAOYSA-N 2 2 264.373 0.383 20 0 CCADLP C[N@@H+](Cc1ccnc(N)c1)C1CC[NH+](CCO)CC1 ZINC000487902895 390090373 /nfs/dbraw/zinc/09/03/73/390090373.db2.gz AEIWYLGARBOIES-UHFFFAOYSA-N 2 2 264.373 0.383 20 0 CCADLP Cc1nc(N(C)C)nc(N[C@H](C)CC[NH+](C)C)[nH+]1 ZINC000488359359 390093109 /nfs/dbraw/zinc/09/31/09/390093109.db2.gz UUVPMMKEDZPQHX-SECBINFHSA-N 2 2 252.366 0.420 20 0 CCADLP Cc1nc(N[C@H](C)CC[NH+](C)C)nc(N(C)C)[nH+]1 ZINC000488359359 390093110 /nfs/dbraw/zinc/09/31/10/390093110.db2.gz UUVPMMKEDZPQHX-SECBINFHSA-N 2 2 252.366 0.420 20 0 CCADLP Cc1nc(NC[C@@H]2CCC[N@@H+]2C)nc(N(C)C)[nH+]1 ZINC000488375641 390093271 /nfs/dbraw/zinc/09/32/71/390093271.db2.gz BWNNXWKYWMLPAT-JTQLQIEISA-N 2 2 250.350 0.174 20 0 CCADLP Cc1nc(NC[C@@H]2CCC[N@H+]2C)nc(N(C)C)[nH+]1 ZINC000488375641 390093272 /nfs/dbraw/zinc/09/32/72/390093272.db2.gz BWNNXWKYWMLPAT-JTQLQIEISA-N 2 2 250.350 0.174 20 0 CCADLP Cc1nc(N2CC[N@@H+](C)C[C@H]2C)nc(N(C)C)[nH+]1 ZINC000488424367 390093751 /nfs/dbraw/zinc/09/37/51/390093751.db2.gz RPBXGIVKLOUGFR-SECBINFHSA-N 2 2 250.350 0.386 20 0 CCADLP Cc1nc(N2CC[N@H+](C)C[C@H]2C)nc(N(C)C)[nH+]1 ZINC000488424367 390093752 /nfs/dbraw/zinc/09/37/52/390093752.db2.gz RPBXGIVKLOUGFR-SECBINFHSA-N 2 2 250.350 0.386 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000488571324 390094797 /nfs/dbraw/zinc/09/47/97/390094797.db2.gz WTLXAYFGDOUKIJ-LBPRGKRZSA-N 2 2 279.388 0.837 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000488571324 390094798 /nfs/dbraw/zinc/09/47/98/390094798.db2.gz WTLXAYFGDOUKIJ-LBPRGKRZSA-N 2 2 279.388 0.837 20 0 CCADLP CC1(C)C[NH2+]CCN1C(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000647841300 390187675 /nfs/dbraw/zinc/18/76/75/390187675.db2.gz IDYYFZKUSOISKK-JTQLQIEISA-N 2 2 277.372 0.311 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)/C=C\C[NH+](C)C ZINC000493288817 390122526 /nfs/dbraw/zinc/12/25/26/390122526.db2.gz NUFAUNILZNBDFN-SZZPACECSA-N 2 2 269.389 0.283 20 0 CCADLP C[N@@H+]1CCCN(C(=O)NC[C@H]2C[NH+](C3CC3)CCO2)CC1 ZINC000493937932 390135958 /nfs/dbraw/zinc/13/59/58/390135958.db2.gz URCGJRSGKFWCES-AWEZNQCLSA-N 2 2 296.415 0.197 20 0 CCADLP C[N@H+]1CCCN(C(=O)NC[C@H]2C[NH+](C3CC3)CCO2)CC1 ZINC000493937932 390135963 /nfs/dbraw/zinc/13/59/63/390135963.db2.gz URCGJRSGKFWCES-AWEZNQCLSA-N 2 2 296.415 0.197 20 0 CCADLP C[NH+]1CCCN(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC1 ZINC000493937932 390135967 /nfs/dbraw/zinc/13/59/67/390135967.db2.gz URCGJRSGKFWCES-AWEZNQCLSA-N 2 2 296.415 0.197 20 0 CCADLP C[NH+]1CCCN(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC1 ZINC000493937932 390135972 /nfs/dbraw/zinc/13/59/72/390135972.db2.gz URCGJRSGKFWCES-AWEZNQCLSA-N 2 2 296.415 0.197 20 0 CCADLP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+](C)C[C@@H]2C[NH3+])C1 ZINC000579211027 390151292 /nfs/dbraw/zinc/15/12/92/390151292.db2.gz FDEQWZSUNYUKCQ-KBPBESRZSA-N 3 2 297.447 0.003 20 0 CCADLP CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+](C)C[C@@H]2C[NH3+])C1 ZINC000579211027 390151295 /nfs/dbraw/zinc/15/12/95/390151295.db2.gz FDEQWZSUNYUKCQ-KBPBESRZSA-N 3 2 297.447 0.003 20 0 CCADLP CCC[NH+]1CC[C@@H](CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000579211027 390151299 /nfs/dbraw/zinc/15/12/99/390151299.db2.gz FDEQWZSUNYUKCQ-KBPBESRZSA-N 3 2 297.447 0.003 20 0 CCADLP CCC[NH+]1CC[C@@H](CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000579211027 390151302 /nfs/dbraw/zinc/15/13/02/390151302.db2.gz FDEQWZSUNYUKCQ-KBPBESRZSA-N 3 2 297.447 0.003 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCC2CCCC2)[C@H](C[NH3+])C1 ZINC000579332067 390162348 /nfs/dbraw/zinc/16/23/48/390162348.db2.gz OHEFLAYLNVIRFJ-CYBMUJFWSA-N 2 2 268.405 0.851 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCC2CCCC2)[C@H](C[NH3+])C1 ZINC000579332067 390162350 /nfs/dbraw/zinc/16/23/50/390162350.db2.gz OHEFLAYLNVIRFJ-CYBMUJFWSA-N 2 2 268.405 0.851 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCc1ncn(C)n1 ZINC000647801265 390176560 /nfs/dbraw/zinc/17/65/60/390176560.db2.gz TVGSOISTHVJWJQ-NEPJUHHUSA-N 2 2 267.377 0.104 20 0 CCADLP CN(C[C@H](O)C[NH+]1CCOCC1)c1[nH+]ccc2[nH]ccc21 ZINC000647871714 390201836 /nfs/dbraw/zinc/20/18/36/390201836.db2.gz KRKPZZGKESNZPJ-LBPRGKRZSA-N 2 2 290.367 0.692 20 0 CCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000647874420 390202702 /nfs/dbraw/zinc/20/27/02/390202702.db2.gz UHCZQEMQUNPPMH-QWHCGFSZSA-N 3 2 293.415 0.498 20 0 CCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000647874420 390202706 /nfs/dbraw/zinc/20/27/06/390202706.db2.gz UHCZQEMQUNPPMH-QWHCGFSZSA-N 3 2 293.415 0.498 20 0 CCADLP O=S1(=O)CC[C@H](C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000647903732 390213022 /nfs/dbraw/zinc/21/30/22/390213022.db2.gz OWNKHEUAYZVUMX-MCIONIFRSA-N 2 2 286.441 0.885 20 0 CCADLP O=S1(=O)CC[C@H](C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000647903732 390213024 /nfs/dbraw/zinc/21/30/24/390213024.db2.gz OWNKHEUAYZVUMX-MCIONIFRSA-N 2 2 286.441 0.885 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)NCC[NH+](C)C2CC2)CCO1 ZINC000495028189 390213209 /nfs/dbraw/zinc/21/32/09/390213209.db2.gz UMASSZCSYCUNEK-AWEZNQCLSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)NCC[NH+](C)C2CC2)CCO1 ZINC000495028189 390213211 /nfs/dbraw/zinc/21/32/11/390213211.db2.gz UMASSZCSYCUNEK-AWEZNQCLSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H]1C[NH+](CCNC(=O)NCC[N@H+](C)C2CC2)CCO1 ZINC000495028189 390213213 /nfs/dbraw/zinc/21/32/13/390213213.db2.gz UMASSZCSYCUNEK-AWEZNQCLSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H]1C[NH+](CCNC(=O)NCC[N@@H+](C)C2CC2)CCO1 ZINC000495028189 390213216 /nfs/dbraw/zinc/21/32/16/390213216.db2.gz UMASSZCSYCUNEK-AWEZNQCLSA-N 2 2 298.431 0.491 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)C1CC1 ZINC000580074197 390217941 /nfs/dbraw/zinc/21/79/41/390217941.db2.gz IFHKYFNRDVBVTF-YUTCNCBUSA-N 2 2 288.432 0.189 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)C1CC1 ZINC000580074197 390217943 /nfs/dbraw/zinc/21/79/43/390217943.db2.gz IFHKYFNRDVBVTF-YUTCNCBUSA-N 2 2 288.432 0.189 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000647931256 390220207 /nfs/dbraw/zinc/22/02/07/390220207.db2.gz UUROFMHKXRVJJA-DZGCQCFKSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000647931256 390220209 /nfs/dbraw/zinc/22/02/09/390220209.db2.gz UUROFMHKXRVJJA-DZGCQCFKSA-N 2 2 295.427 0.840 20 0 CCADLP COc1c(O)cccc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000580096321 390221254 /nfs/dbraw/zinc/22/12/54/390221254.db2.gz BJAMUYFCLHAQKX-NEPJUHHUSA-N 2 2 291.351 0.145 20 0 CCADLP COc1c(O)cccc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000580096321 390221258 /nfs/dbraw/zinc/22/12/58/390221258.db2.gz BJAMUYFCLHAQKX-NEPJUHHUSA-N 2 2 291.351 0.145 20 0 CCADLP CN1CCC[C@@H]([N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000540908028 390227922 /nfs/dbraw/zinc/22/79/22/390227922.db2.gz ANIFUUDECSGLQZ-UONOGXRCSA-N 2 2 281.400 0.261 20 0 CCADLP CN1CCC[C@@H]([N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000540908028 390227924 /nfs/dbraw/zinc/22/79/24/390227924.db2.gz ANIFUUDECSGLQZ-UONOGXRCSA-N 2 2 281.400 0.261 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000647858609 390195220 /nfs/dbraw/zinc/19/52/20/390195220.db2.gz HJJDGWNFQCHDLF-LLVKDONJSA-N 2 2 292.387 0.874 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000647858609 390195221 /nfs/dbraw/zinc/19/52/21/390195221.db2.gz HJJDGWNFQCHDLF-LLVKDONJSA-N 2 2 292.387 0.874 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000647865589 390198476 /nfs/dbraw/zinc/19/84/76/390198476.db2.gz NZRSSAPKXDUJOK-JKSUJKDBSA-N 3 2 298.475 0.451 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000647865589 390198480 /nfs/dbraw/zinc/19/84/80/390198480.db2.gz NZRSSAPKXDUJOK-JKSUJKDBSA-N 3 2 298.475 0.451 20 0 CCADLP CCCCNC(=O)CC[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000647865719 390198582 /nfs/dbraw/zinc/19/85/82/390198582.db2.gz RGVKZZWIHMABGG-VXGBXAGGSA-N 2 2 257.378 0.341 20 0 CCADLP CCCCNC(=O)CC[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000647865719 390198585 /nfs/dbraw/zinc/19/85/85/390198585.db2.gz RGVKZZWIHMABGG-VXGBXAGGSA-N 2 2 257.378 0.341 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000281678966 195332208 /nfs/dbraw/zinc/33/22/08/195332208.db2.gz UJURGISAQIUIQN-NWDGAFQWSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000281678966 195332210 /nfs/dbraw/zinc/33/22/10/195332210.db2.gz UJURGISAQIUIQN-NWDGAFQWSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000281678966 195332211 /nfs/dbraw/zinc/33/22/11/195332211.db2.gz UJURGISAQIUIQN-NWDGAFQWSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000281678966 195332213 /nfs/dbraw/zinc/33/22/13/195332213.db2.gz UJURGISAQIUIQN-NWDGAFQWSA-N 2 2 280.372 0.256 20 0 CCADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@H](O)CC(F)(F)F ZINC000580327298 390239462 /nfs/dbraw/zinc/23/94/62/390239462.db2.gz FXZWIZQICWIORF-WDEREUQCSA-N 2 2 284.322 0.736 20 0 CCADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]C[C@H](O)CC(F)(F)F ZINC000580327298 390239463 /nfs/dbraw/zinc/23/94/63/390239463.db2.gz FXZWIZQICWIORF-WDEREUQCSA-N 2 2 284.322 0.736 20 0 CCADLP Cc1nc(C2([NH2+]CCOCC[NH3+])CCCC2)no1 ZINC000647991942 390242151 /nfs/dbraw/zinc/24/21/51/390242151.db2.gz HOIHKECMMQPAES-UHFFFAOYSA-N 2 2 254.334 0.712 20 0 CCADLP Cc1csc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)n1 ZINC000644516346 390242317 /nfs/dbraw/zinc/24/23/17/390242317.db2.gz MTMIJMCXJVSXIS-LBPRGKRZSA-N 2 2 284.429 0.149 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1C(=O)NC1CC1 ZINC000647964068 390230924 /nfs/dbraw/zinc/23/09/24/390230924.db2.gz PWKJXZNCVPBQFF-KGLIPLIRSA-N 2 2 283.416 0.431 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1C(=O)NC1CC1 ZINC000647964068 390230928 /nfs/dbraw/zinc/23/09/28/390230928.db2.gz PWKJXZNCVPBQFF-KGLIPLIRSA-N 2 2 283.416 0.431 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000647964068 390230931 /nfs/dbraw/zinc/23/09/31/390230931.db2.gz PWKJXZNCVPBQFF-KGLIPLIRSA-N 2 2 283.416 0.431 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000647964068 390230933 /nfs/dbraw/zinc/23/09/33/390230933.db2.gz PWKJXZNCVPBQFF-KGLIPLIRSA-N 2 2 283.416 0.431 20 0 CCADLP COC(=O)CC1(C[NH+]2CCN(c3[nH+]ccn3C)CC2)CC1 ZINC000281761564 195371055 /nfs/dbraw/zinc/37/10/55/195371055.db2.gz YUKOBDLIJICECK-UHFFFAOYSA-N 2 2 292.383 0.885 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+]C1(C(N)=O)CCCCC1 ZINC000647968718 390233831 /nfs/dbraw/zinc/23/38/31/390233831.db2.gz SPMMJANTVOKHCE-GFCCVEGCSA-N 2 2 271.405 0.465 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+]C1(C(N)=O)CCCCC1 ZINC000647968718 390233833 /nfs/dbraw/zinc/23/38/33/390233833.db2.gz SPMMJANTVOKHCE-GFCCVEGCSA-N 2 2 271.405 0.465 20 0 CCADLP CC[NH+]1CCN(CCNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000583568808 390294470 /nfs/dbraw/zinc/29/44/70/390294470.db2.gz YJGKJMLYSOTQDU-AWEZNQCLSA-N 2 2 293.415 0.588 20 0 CCADLP COCC[NH+]1CCC([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000581126329 390250383 /nfs/dbraw/zinc/25/03/83/390250383.db2.gz DDBQQNSXZWEFOL-OAHLLOKOSA-N 3 2 285.432 0.142 20 0 CCADLP COCC[NH+]1CCC([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000581126329 390250385 /nfs/dbraw/zinc/25/03/85/390250385.db2.gz DDBQQNSXZWEFOL-OAHLLOKOSA-N 3 2 285.432 0.142 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCc2ccn(C)n2)C[C@H](C)O1 ZINC000644622276 390268121 /nfs/dbraw/zinc/26/81/21/390268121.db2.gz IACKIYYDQPISDX-VNHYZAJKSA-N 2 2 296.415 0.022 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCc2ccn(C)n2)C[C@H](C)O1 ZINC000644622276 390268122 /nfs/dbraw/zinc/26/81/22/390268122.db2.gz IACKIYYDQPISDX-VNHYZAJKSA-N 2 2 296.415 0.022 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000583273329 390280438 /nfs/dbraw/zinc/28/04/38/390280438.db2.gz NNDASYGVGRUAMX-MELADBBJSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000583273329 390280440 /nfs/dbraw/zinc/28/04/40/390280440.db2.gz NNDASYGVGRUAMX-MELADBBJSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000583273329 390280441 /nfs/dbraw/zinc/28/04/41/390280441.db2.gz NNDASYGVGRUAMX-MELADBBJSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000583273329 390280443 /nfs/dbraw/zinc/28/04/43/390280443.db2.gz NNDASYGVGRUAMX-MELADBBJSA-N 2 2 281.400 0.308 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H](CO)Cc1cccnc1)C1CC1 ZINC000583322566 390282962 /nfs/dbraw/zinc/28/29/62/390282962.db2.gz ORFURIFQTVWPKN-HIFRSBDPSA-N 2 2 279.384 0.030 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](CO)Cc1cccnc1)C1CC1 ZINC000583322566 390282963 /nfs/dbraw/zinc/28/29/63/390282963.db2.gz ORFURIFQTVWPKN-HIFRSBDPSA-N 2 2 279.384 0.030 20 0 CCADLP C[C@@H](CC(=O)NCC[NH+]1CCC(O)CC1)n1cc[nH+]c1 ZINC000583327437 390284843 /nfs/dbraw/zinc/28/48/43/390284843.db2.gz NXITYDPSUAIJCL-LBPRGKRZSA-N 2 2 280.372 0.407 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H](N2CCCC2=O)C1)C1CC1 ZINC000583781128 390310900 /nfs/dbraw/zinc/31/09/00/390310900.db2.gz RJYNZPYYVLNEPQ-LSDHHAIUSA-N 2 2 295.427 0.528 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H](N2CCCC2=O)C1)C1CC1 ZINC000583781128 390310904 /nfs/dbraw/zinc/31/09/04/390310904.db2.gz RJYNZPYYVLNEPQ-LSDHHAIUSA-N 2 2 295.427 0.528 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H](N2CCCC2=O)C1)C1CC1 ZINC000583781128 390310908 /nfs/dbraw/zinc/31/09/08/390310908.db2.gz RJYNZPYYVLNEPQ-LSDHHAIUSA-N 2 2 295.427 0.528 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H](N2CCCC2=O)C1)C1CC1 ZINC000583781128 390310912 /nfs/dbraw/zinc/31/09/12/390310912.db2.gz RJYNZPYYVLNEPQ-LSDHHAIUSA-N 2 2 295.427 0.528 20 0 CCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)CCC(C)(C)[NH3+])CC1 ZINC000648150249 390312948 /nfs/dbraw/zinc/31/29/48/390312948.db2.gz CPFKUERLJWOIPC-UHFFFAOYSA-N 2 2 298.431 0.174 20 0 CCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)CCC(C)(C)[NH3+])CC1 ZINC000648150249 390312951 /nfs/dbraw/zinc/31/29/51/390312951.db2.gz CPFKUERLJWOIPC-UHFFFAOYSA-N 2 2 298.431 0.174 20 0 CCADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000644813087 390319509 /nfs/dbraw/zinc/31/95/09/390319509.db2.gz GFMNKHHNPADLFZ-KBPBESRZSA-N 2 2 293.411 0.404 20 0 CCADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000644813087 390319512 /nfs/dbraw/zinc/31/95/12/390319512.db2.gz GFMNKHHNPADLFZ-KBPBESRZSA-N 2 2 293.411 0.404 20 0 CCADLP C[N@@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC000644813865 390320803 /nfs/dbraw/zinc/32/08/03/390320803.db2.gz DIJLDLZNTVQLLR-QWHCGFSZSA-N 2 2 262.357 0.826 20 0 CCADLP C[N@H+]1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC000644813865 390320808 /nfs/dbraw/zinc/32/08/08/390320808.db2.gz DIJLDLZNTVQLLR-QWHCGFSZSA-N 2 2 262.357 0.826 20 0 CCADLP COC(=O)C1CCN(C(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C)CC1 ZINC000583934985 390325875 /nfs/dbraw/zinc/32/58/75/390325875.db2.gz HBPQKJBOGDCUMO-HNNXBMFYSA-N 2 2 299.415 0.361 20 0 CCADLP CN(C)c1[nH+]cc(CN2CC[C@H]3C[N@H+](C)C[C@@H]32)n1C ZINC000644903688 390343296 /nfs/dbraw/zinc/34/32/96/390343296.db2.gz DNRGDOORMJOJHQ-AAEUAGOBSA-N 2 2 263.389 0.622 20 0 CCADLP CN(C)c1[nH+]cc(CN2CC[C@H]3C[N@@H+](C)C[C@@H]32)n1C ZINC000644903688 390343298 /nfs/dbraw/zinc/34/32/98/390343298.db2.gz DNRGDOORMJOJHQ-AAEUAGOBSA-N 2 2 263.389 0.622 20 0 CCADLP CC[C@H](CCO)[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000584529997 390352815 /nfs/dbraw/zinc/35/28/15/390352815.db2.gz IMWOEISXIKNMRG-RQJABVFESA-N 2 2 274.405 0.207 20 0 CCADLP CC[C@H](CCO)[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000584529997 390352818 /nfs/dbraw/zinc/35/28/18/390352818.db2.gz IMWOEISXIKNMRG-RQJABVFESA-N 2 2 274.405 0.207 20 0 CCADLP CC[C@H](CCO)[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000584529998 390352848 /nfs/dbraw/zinc/35/28/48/390352848.db2.gz IMWOEISXIKNMRG-SYQHCUMBSA-N 2 2 274.405 0.207 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](n2cc(C)cn2)C1 ZINC000584537922 390353645 /nfs/dbraw/zinc/35/36/45/390353645.db2.gz AOIKEHALLNUPAR-GJZGRUSLSA-N 2 2 296.415 0.377 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](n2cc(C)cn2)C1 ZINC000584537922 390353648 /nfs/dbraw/zinc/35/36/48/390353648.db2.gz AOIKEHALLNUPAR-GJZGRUSLSA-N 2 2 296.415 0.377 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000584537922 390353652 /nfs/dbraw/zinc/35/36/52/390353652.db2.gz AOIKEHALLNUPAR-GJZGRUSLSA-N 2 2 296.415 0.377 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000584537922 390353654 /nfs/dbraw/zinc/35/36/54/390353654.db2.gz AOIKEHALLNUPAR-GJZGRUSLSA-N 2 2 296.415 0.377 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000584537923 390353813 /nfs/dbraw/zinc/35/38/13/390353813.db2.gz AOIKEHALLNUPAR-HUUCEWRRSA-N 2 2 296.415 0.377 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000584537923 390353816 /nfs/dbraw/zinc/35/38/16/390353816.db2.gz AOIKEHALLNUPAR-HUUCEWRRSA-N 2 2 296.415 0.377 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000584537923 390353820 /nfs/dbraw/zinc/35/38/20/390353820.db2.gz AOIKEHALLNUPAR-HUUCEWRRSA-N 2 2 296.415 0.377 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000584537923 390353823 /nfs/dbraw/zinc/35/38/23/390353823.db2.gz AOIKEHALLNUPAR-HUUCEWRRSA-N 2 2 296.415 0.377 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCOC(C)(C)C2)CC[N@@H+]1C ZINC000648759770 390402647 /nfs/dbraw/zinc/40/26/47/390402647.db2.gz SUUSVRBWWDHYFB-CHWSQXEVSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCOC(C)(C)C2)CC[N@H+]1C ZINC000648759770 390402651 /nfs/dbraw/zinc/40/26/51/390402651.db2.gz SUUSVRBWWDHYFB-CHWSQXEVSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC[NH+]1C ZINC000648759770 390402654 /nfs/dbraw/zinc/40/26/54/390402654.db2.gz SUUSVRBWWDHYFB-CHWSQXEVSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC[NH+]1C ZINC000648759770 390402656 /nfs/dbraw/zinc/40/26/56/390402656.db2.gz SUUSVRBWWDHYFB-CHWSQXEVSA-N 2 2 283.416 0.554 20 0 CCADLP CC1(C)C[NH2+][C@H]1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000645376665 390417589 /nfs/dbraw/zinc/41/75/89/390417589.db2.gz SPRQYUQFSPJUFV-ZDUSSCGKSA-N 2 2 276.384 0.876 20 0 CCADLP C[C@H]([NH3+])C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000554288234 390423785 /nfs/dbraw/zinc/42/37/85/390423785.db2.gz XYHPDCFJVSJIHE-ZDUSSCGKSA-N 2 2 276.384 0.272 20 0 CCADLP CN(C)C(=O)O[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000497156709 390428172 /nfs/dbraw/zinc/42/81/72/390428172.db2.gz ZTARYKHYQPXLPX-KGLIPLIRSA-N 2 2 299.415 0.604 20 0 CCADLP CN(C)C(=O)O[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000497156709 390428175 /nfs/dbraw/zinc/42/81/75/390428175.db2.gz ZTARYKHYQPXLPX-KGLIPLIRSA-N 2 2 299.415 0.604 20 0 CCADLP CN(C)C(=O)O[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000497156709 390428178 /nfs/dbraw/zinc/42/81/78/390428178.db2.gz ZTARYKHYQPXLPX-KGLIPLIRSA-N 2 2 299.415 0.604 20 0 CCADLP CN(C)C(=O)O[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000497156709 390428179 /nfs/dbraw/zinc/42/81/79/390428179.db2.gz ZTARYKHYQPXLPX-KGLIPLIRSA-N 2 2 299.415 0.604 20 0 CCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000643364450 390434978 /nfs/dbraw/zinc/43/49/78/390434978.db2.gz OKPCENUKRZUQKM-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000643364450 390434983 /nfs/dbraw/zinc/43/49/83/390434983.db2.gz OKPCENUKRZUQKM-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP O=C1C[N@H+](CCCNc2[nH+]ccc3ccccc32)CCN1 ZINC000527938913 285371759 /nfs/dbraw/zinc/37/17/59/285371759.db2.gz JVPFZQLCZDELKD-UHFFFAOYSA-N 2 2 284.363 0.891 20 0 CCADLP O=C1C[N@@H+](CCCNc2[nH+]ccc3ccccc32)CCN1 ZINC000527938913 285371763 /nfs/dbraw/zinc/37/17/63/285371763.db2.gz JVPFZQLCZDELKD-UHFFFAOYSA-N 2 2 284.363 0.891 20 0 CCADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CCC[N@H+](C)C1 ZINC000547605779 390386176 /nfs/dbraw/zinc/38/61/76/390386176.db2.gz UQMYBACSVPFSKZ-NSHDSACASA-N 2 2 250.346 0.515 20 0 CCADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CCC[N@@H+](C)C1 ZINC000547605779 390386178 /nfs/dbraw/zinc/38/61/78/390386178.db2.gz UQMYBACSVPFSKZ-NSHDSACASA-N 2 2 250.346 0.515 20 0 CCADLP Nc1nc(N2CC[N@@H+]3CCOC[C@@H]3C2)c2c([nH+]1)CCCC2 ZINC000645210301 390388968 /nfs/dbraw/zinc/38/89/68/390388968.db2.gz FENMFFWSGDZXCF-NSHDSACASA-N 2 2 289.383 0.289 20 0 CCADLP Nc1nc(N2CC[N@H+]3CCOC[C@@H]3C2)c2c([nH+]1)CCCC2 ZINC000645210301 390388969 /nfs/dbraw/zinc/38/89/69/390388969.db2.gz FENMFFWSGDZXCF-NSHDSACASA-N 2 2 289.383 0.289 20 0 CCADLP COC(=O)[C@@H](C)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000517567464 390490027 /nfs/dbraw/zinc/49/00/27/390490027.db2.gz QEIWXDCIYLZNSI-MNOVXSKESA-N 2 2 256.346 0.235 20 0 CCADLP COC(=O)[C@@H](C)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000517567464 390490031 /nfs/dbraw/zinc/49/00/31/390490031.db2.gz QEIWXDCIYLZNSI-MNOVXSKESA-N 2 2 256.346 0.235 20 0 CCADLP CCNC(=O)N1CC[C@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000643467003 390449652 /nfs/dbraw/zinc/44/96/52/390449652.db2.gz IDDBKGJHUVTUJC-BFHYXJOUSA-N 2 2 296.415 0.147 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC(=O)NC1CCCC1 ZINC000643469750 390450737 /nfs/dbraw/zinc/45/07/37/390450737.db2.gz JNHZDJZKLHYSPI-YPMHNXCESA-N 2 2 269.389 0.402 20 0 CCADLP C[C@H](Nc1ccc(N(C)CCO)c[nH+]1)C1C[NH2+]C1 ZINC000643478684 390453045 /nfs/dbraw/zinc/45/30/45/390453045.db2.gz WBQJEQIUKUHYCV-JTQLQIEISA-N 2 2 250.346 0.530 20 0 CCADLP CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537700 390461527 /nfs/dbraw/zinc/46/15/27/390461527.db2.gz OKSVHCOIIJKCHZ-NNYUYHANSA-N 2 2 278.393 0.632 20 0 CCADLP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)CO2 ZINC000515346518 390474720 /nfs/dbraw/zinc/47/47/20/390474720.db2.gz HPQWSCRQKPJHII-OCCSQVGLSA-N 2 2 278.352 0.577 20 0 CCADLP C[C@@H]1COCCN1CC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000515863124 390477513 /nfs/dbraw/zinc/47/75/13/390477513.db2.gz JSIYQKXVOSUPKN-ZIAGYGMSSA-N 2 2 278.400 0.930 20 0 CCADLP C[C@@H]1COCCN1CC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000515863124 390477518 /nfs/dbraw/zinc/47/75/18/390477518.db2.gz JSIYQKXVOSUPKN-ZIAGYGMSSA-N 2 2 278.400 0.930 20 0 CCADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000519708911 390532000 /nfs/dbraw/zinc/53/20/00/390532000.db2.gz SICGSHTYGSRAEO-HNNXBMFYSA-N 3 2 294.399 0.183 20 0 CCADLP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@H]1CCC[NH2+]1 ZINC000649333515 390589955 /nfs/dbraw/zinc/58/99/55/390589955.db2.gz ZCZIFXHJENRRRV-MGPQQGTHSA-N 2 2 281.400 0.498 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000645943994 390542572 /nfs/dbraw/zinc/54/25/72/390542572.db2.gz CAVKYMAJFKLUFA-QWHCGFSZSA-N 2 2 291.399 0.062 20 0 CCADLP O=C(NCc1cn2ccccc2[nH+]1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649279660 390547278 /nfs/dbraw/zinc/54/72/78/390547278.db2.gz JOJXGLKGMWLSOK-JLLWLGSASA-N 2 2 256.309 0.701 20 0 CCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649284917 390549382 /nfs/dbraw/zinc/54/93/82/390549382.db2.gz LRLWWSMVGYYKIC-NHAGDIPZSA-N 2 2 286.379 0.763 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]([NH3+])C3CCC3)C2)CC1 ZINC000645977974 390555579 /nfs/dbraw/zinc/55/55/79/390555579.db2.gz PHNGKCDHFKOLPV-ZFWWWQNUSA-N 3 2 294.443 0.399 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]([NH3+])C3CCC3)C2)CC1 ZINC000645977974 390555583 /nfs/dbraw/zinc/55/55/83/390555583.db2.gz PHNGKCDHFKOLPV-ZFWWWQNUSA-N 3 2 294.443 0.399 20 0 CCADLP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000649302359 390561235 /nfs/dbraw/zinc/56/12/35/390561235.db2.gz IGWCPTQCJLFGLL-NNYUYHANSA-N 2 2 260.341 0.581 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)cn2c1 ZINC000649303630 390564463 /nfs/dbraw/zinc/56/44/63/390564463.db2.gz NSHGBOGRXUISAJ-IMRBUKKESA-N 2 2 270.336 0.724 20 0 CCADLP COCCn1cc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cn1 ZINC000566005714 390566074 /nfs/dbraw/zinc/56/60/74/390566074.db2.gz CMHWOYHYPDNWQE-CQSZACIVSA-N 2 2 282.388 0.074 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)c2ccc(C[NH3+])o2)CCO1 ZINC000649312374 390571128 /nfs/dbraw/zinc/57/11/28/390571128.db2.gz KRZDQIDYNSCSIR-SNVBAGLBSA-N 2 2 267.329 0.189 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(C[NH3+])o2)CCO1 ZINC000649312374 390571131 /nfs/dbraw/zinc/57/11/31/390571131.db2.gz KRZDQIDYNSCSIR-SNVBAGLBSA-N 2 2 267.329 0.189 20 0 CCADLP CC1(OCC(=O)NCCCCNc2cccc[nH+]2)C[NH2+]C1 ZINC000649318532 390575752 /nfs/dbraw/zinc/57/57/52/390575752.db2.gz SHAYURBFANJXRM-UHFFFAOYSA-N 2 2 292.383 0.768 20 0 CCADLP COCC[NH+]1CCN(C(=O)c2conc2C(C)(C)[NH3+])CC1 ZINC000566474438 390619095 /nfs/dbraw/zinc/61/90/95/390619095.db2.gz PWKDXKIFQOENFD-UHFFFAOYSA-N 2 2 296.371 0.273 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCC(C)(C)CO)C[C@@H](C)O1 ZINC000566561062 390629134 /nfs/dbraw/zinc/62/91/34/390629134.db2.gz DGDMDDFNENRPNQ-MCIONIFRSA-N 2 2 288.432 0.455 20 0 CCADLP CC(C)(C(=O)N1CC(n2cc[nH+]c2)C1)[NH+]1CCOCC1 ZINC000566666160 390636607 /nfs/dbraw/zinc/63/66/07/390636607.db2.gz OJFVIILGKRFJJK-UHFFFAOYSA-N 2 2 278.356 0.377 20 0 CCADLP CC(C)[NH2+]CCC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000566971818 390662430 /nfs/dbraw/zinc/66/24/30/390662430.db2.gz PWBGTSYBNPZGHX-UHFFFAOYSA-N 2 2 271.405 0.602 20 0 CCADLP CC(C)[NH2+]CCC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000566971818 390662433 /nfs/dbraw/zinc/66/24/33/390662433.db2.gz PWBGTSYBNPZGHX-UHFFFAOYSA-N 2 2 271.405 0.602 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)[C@H](C[NH3+])C1 ZINC000646234390 390645422 /nfs/dbraw/zinc/64/54/22/390645422.db2.gz XLBQIEKHUAXYFP-FDYHWXHSSA-N 2 2 266.389 0.459 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)[C@H](C[NH3+])C1 ZINC000646234390 390645424 /nfs/dbraw/zinc/64/54/24/390645424.db2.gz XLBQIEKHUAXYFP-FDYHWXHSSA-N 2 2 266.389 0.459 20 0 CCADLP C[C@@H]1SCC[C@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000646233637 390645518 /nfs/dbraw/zinc/64/55/18/390645518.db2.gz JIJIHRYXTNKWAA-GARJFASQSA-N 2 2 272.418 0.165 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CC2(CCO)CC2)C[C@@H](C)O1 ZINC000566796711 390648947 /nfs/dbraw/zinc/64/89/47/390648947.db2.gz AUNPXKWREFNOLI-MGPQQGTHSA-N 2 2 286.416 0.209 20 0 CCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000646265092 390654096 /nfs/dbraw/zinc/65/40/96/390654096.db2.gz LINDBVLLUOPRIP-AVGNSLFASA-N 2 2 274.368 0.775 20 0 CCADLP C[NH+]1CCC2(CC1)C[N@H+](CC(=O)N1CCC1)CCO2 ZINC000646103638 390598075 /nfs/dbraw/zinc/59/80/75/390598075.db2.gz KZWYCKFXECWTMN-UHFFFAOYSA-N 2 2 267.373 0.015 20 0 CCADLP C[NH+]1CCC2(CC1)C[N@@H+](CC(=O)N1CCC1)CCO2 ZINC000646103638 390598081 /nfs/dbraw/zinc/59/80/81/390598081.db2.gz KZWYCKFXECWTMN-UHFFFAOYSA-N 2 2 267.373 0.015 20 0 CCADLP CN1CC[C@H]([N@@H+]2CCOC3(CC[NH+](C)CC3)C2)C1=O ZINC000646104234 390598501 /nfs/dbraw/zinc/59/85/01/390598501.db2.gz DHZDCUHGCHVADZ-LBPRGKRZSA-N 2 2 267.373 0.014 20 0 CCADLP CN1CC[C@H]([N@H+]2CCOC3(CC[NH+](C)CC3)C2)C1=O ZINC000646104234 390598502 /nfs/dbraw/zinc/59/85/02/390598502.db2.gz DHZDCUHGCHVADZ-LBPRGKRZSA-N 2 2 267.373 0.014 20 0 CCADLP [NH3+][C@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1cscn1 ZINC000521231399 390600673 /nfs/dbraw/zinc/60/06/73/390600673.db2.gz JEBQRXUBVRWNRP-KOLCDFICSA-N 2 2 266.370 0.450 20 0 CCADLP [NH3+][C@H](C(=O)N1CC[N@H+]2CCC[C@@H]2C1)c1cscn1 ZINC000521231399 390600677 /nfs/dbraw/zinc/60/06/77/390600677.db2.gz JEBQRXUBVRWNRP-KOLCDFICSA-N 2 2 266.370 0.450 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC1CC([NH+](C)C)C1 ZINC000646107343 390601081 /nfs/dbraw/zinc/60/10/81/390601081.db2.gz ZFZVJWJRYPIKJU-UHFFFAOYSA-N 2 2 250.346 0.562 20 0 CCADLP COCC[NH2+]CCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000649354390 390604257 /nfs/dbraw/zinc/60/42/57/390604257.db2.gz IHAAKLQOXUFJFJ-UHFFFAOYSA-N 2 2 290.367 0.537 20 0 CCADLP O[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2[NH2+]CCn2cc[nH+]c2)C1 ZINC000643960906 390609079 /nfs/dbraw/zinc/60/90/79/390609079.db2.gz IQERGVSLCOXNDR-MCIONIFRSA-N 3 2 264.373 0.460 20 0 CCADLP O[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2[NH2+]CCn2cc[nH+]c2)C1 ZINC000643960906 390609081 /nfs/dbraw/zinc/60/90/81/390609081.db2.gz IQERGVSLCOXNDR-MCIONIFRSA-N 3 2 264.373 0.460 20 0 CCADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3cccnc3N)CC2)C1 ZINC000649382159 390613019 /nfs/dbraw/zinc/61/30/19/390613019.db2.gz PICYAMCDKRYQAO-OAHLLOKOSA-N 2 2 289.427 0.876 20 0 CCADLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3cccnc3N)CC2)C1 ZINC000649382159 390613024 /nfs/dbraw/zinc/61/30/24/390613024.db2.gz PICYAMCDKRYQAO-OAHLLOKOSA-N 2 2 289.427 0.876 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C)C(C)(C)C2)C1 ZINC000567519531 390702588 /nfs/dbraw/zinc/70/25/88/390702588.db2.gz KLNLCRAYGHQUCE-LBPRGKRZSA-N 2 2 269.389 0.260 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C)C(C)(C)C2)C1 ZINC000567519531 390702590 /nfs/dbraw/zinc/70/25/90/390702590.db2.gz KLNLCRAYGHQUCE-LBPRGKRZSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@H+](C)C(C)(C)C2)C1 ZINC000567519531 390702591 /nfs/dbraw/zinc/70/25/91/390702591.db2.gz KLNLCRAYGHQUCE-LBPRGKRZSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000567519531 390702592 /nfs/dbraw/zinc/70/25/92/390702592.db2.gz KLNLCRAYGHQUCE-LBPRGKRZSA-N 2 2 269.389 0.260 20 0 CCADLP C[N@@H+]1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)[C@@H](C[NH3+])C1 ZINC000571387550 390733282 /nfs/dbraw/zinc/73/32/82/390733282.db2.gz SDKIKVYGSZOIOT-UONOGXRCSA-N 3 2 276.384 0.178 20 0 CCADLP C[N@H+]1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)[C@@H](C[NH3+])C1 ZINC000571387550 390733284 /nfs/dbraw/zinc/73/32/84/390733284.db2.gz SDKIKVYGSZOIOT-UONOGXRCSA-N 3 2 276.384 0.178 20 0 CCADLP CN(CCC[NH3+])C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000646782415 390719094 /nfs/dbraw/zinc/71/90/94/390719094.db2.gz VQUVRJFPIYRWOV-CYBMUJFWSA-N 2 2 269.389 0.437 20 0 CCADLP CN(CCC[NH3+])C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000646782415 390719095 /nfs/dbraw/zinc/71/90/95/390719095.db2.gz VQUVRJFPIYRWOV-CYBMUJFWSA-N 2 2 269.389 0.437 20 0 CCADLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CCOCC1 ZINC000570865769 390722492 /nfs/dbraw/zinc/72/24/92/390722492.db2.gz HAUANZLWTZOBDD-STQMWFEESA-N 3 2 255.406 0.957 20 0 CCADLP COc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1F ZINC000566985830 390664456 /nfs/dbraw/zinc/66/44/56/390664456.db2.gz ZFMGJUHGVMWUSO-WCQYABFASA-N 2 2 293.342 0.578 20 0 CCADLP COc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1F ZINC000566985830 390664458 /nfs/dbraw/zinc/66/44/58/390664458.db2.gz ZFMGJUHGVMWUSO-WCQYABFASA-N 2 2 293.342 0.578 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000567047553 390668107 /nfs/dbraw/zinc/66/81/07/390668107.db2.gz JLLFAVDOPJGWCQ-CHWSQXEVSA-N 2 2 298.431 0.077 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000567047553 390668111 /nfs/dbraw/zinc/66/81/11/390668111.db2.gz JLLFAVDOPJGWCQ-CHWSQXEVSA-N 2 2 298.431 0.077 20 0 CCADLP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567167132 390677010 /nfs/dbraw/zinc/67/70/10/390677010.db2.gz DOZJFHDLPCJBEQ-GXTWGEPZSA-N 2 2 253.390 0.977 20 0 CCADLP CC[C@H](C)NC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567167132 390677014 /nfs/dbraw/zinc/67/70/14/390677014.db2.gz DOZJFHDLPCJBEQ-GXTWGEPZSA-N 2 2 253.390 0.977 20 0 CCADLP O=C(NCC[N@H+]1CC=CCC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000526975473 390686702 /nfs/dbraw/zinc/68/67/02/390686702.db2.gz ZURDTZWZGPDHCQ-ZDUSSCGKSA-N 2 2 289.383 0.759 20 0 CCADLP O=C(NCC[N@@H+]1CC=CCC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000526975473 390686706 /nfs/dbraw/zinc/68/67/06/390686706.db2.gz ZURDTZWZGPDHCQ-ZDUSSCGKSA-N 2 2 289.383 0.759 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000571791833 390753386 /nfs/dbraw/zinc/75/33/86/390753386.db2.gz OALNXKFGPYIMER-NWDGAFQWSA-N 2 2 277.372 0.656 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000571791833 390753388 /nfs/dbraw/zinc/75/33/88/390753388.db2.gz OALNXKFGPYIMER-NWDGAFQWSA-N 2 2 277.372 0.656 20 0 CCADLP CO[C@H](C)CC[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000571875414 390756881 /nfs/dbraw/zinc/75/68/81/390756881.db2.gz ORALESRRDAZIRB-RFGFWPKPSA-N 2 2 274.405 0.471 20 0 CCADLP C[C@H](O)CC[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528727841 390771373 /nfs/dbraw/zinc/77/13/73/390771373.db2.gz VXDHWKCRBQKGKE-ZDUSSCGKSA-N 2 2 256.390 0.944 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]([NH3+])c1cscn1 ZINC000572235367 390773394 /nfs/dbraw/zinc/77/33/94/390773394.db2.gz QEXIVNZVBOPLJG-NQMVMOMDSA-N 2 2 254.359 0.257 20 0 CCADLP Cc1cccc2[nH+]c(CCNC(=O)[C@H]3CC[NH2+]3)cn21 ZINC000647098597 390775414 /nfs/dbraw/zinc/77/54/14/390775414.db2.gz VAFSAMSFUWHKMW-GFCCVEGCSA-N 2 2 258.325 0.663 20 0 CCADLP C[C@@H]1CC(F)(F)CC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000528769471 390776413 /nfs/dbraw/zinc/77/64/13/390776413.db2.gz QKKGEDKTXXGZEG-LLVKDONJSA-N 2 2 275.343 0.880 20 0 CCADLP C[C@@H]1CC(F)(F)CC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000528769471 390776414 /nfs/dbraw/zinc/77/64/14/390776414.db2.gz QKKGEDKTXXGZEG-LLVKDONJSA-N 2 2 275.343 0.880 20 0 CCADLP C[NH2+][C@H](C)Cc1noc([C@H]2CC[NH2+]CC2(F)F)n1 ZINC000647142930 390779739 /nfs/dbraw/zinc/77/97/39/390779739.db2.gz VMFZKQVIZDGBFG-HTQZYQBOSA-N 2 2 260.288 0.932 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000528888773 390782588 /nfs/dbraw/zinc/78/25/88/390782588.db2.gz GBVNQMXVIPNRHX-ZDUSSCGKSA-N 2 2 285.351 0.982 20 0 CCADLP COc1ncncc1C[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000647177946 390783238 /nfs/dbraw/zinc/78/32/38/390783238.db2.gz UBDRWBRTOQKCJA-NSHDSACASA-N 2 2 259.313 0.786 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000529070157 390790470 /nfs/dbraw/zinc/79/04/70/390790470.db2.gz QLYXZRTWVBPLNT-OLZOCXBDSA-N 2 2 280.372 0.105 20 0 CCADLP CCc1cccc(OC[C@@H](O)C[NH2+]C[C@H](O)C[NH+](C)C)c1 ZINC000572643167 390794579 /nfs/dbraw/zinc/79/45/79/390794579.db2.gz LLTNFWICZGCEOM-GJZGRUSLSA-N 2 2 296.411 0.501 20 0 CCADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000572869858 390808405 /nfs/dbraw/zinc/80/84/05/390808405.db2.gz UFIHKNWJVJBSDH-OWCLPIDISA-N 2 2 299.459 0.390 20 0 CCADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000572869858 390808408 /nfs/dbraw/zinc/80/84/08/390808408.db2.gz UFIHKNWJVJBSDH-OWCLPIDISA-N 2 2 299.459 0.390 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529293140 390802272 /nfs/dbraw/zinc/80/22/72/390802272.db2.gz OKEAGHCWCUQKFT-QWHCGFSZSA-N 2 2 296.415 0.291 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCc2cccc(O)c2)[C@@H](C[NH3+])C1 ZINC000571656162 390747285 /nfs/dbraw/zinc/74/72/85/390747285.db2.gz NQTIAHVSGCQDJN-LBPRGKRZSA-N 2 2 278.356 0.177 20 0 CCADLP C[N@H+]1CCN(C(=O)NCc2cccc(O)c2)[C@@H](C[NH3+])C1 ZINC000571656162 390747287 /nfs/dbraw/zinc/74/72/87/390747287.db2.gz NQTIAHVSGCQDJN-LBPRGKRZSA-N 2 2 278.356 0.177 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000571677306 390748422 /nfs/dbraw/zinc/74/84/22/390748422.db2.gz WXTGALNKVVAYOD-SNVBAGLBSA-N 2 2 297.403 0.871 20 0 CCADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)[C@H](C)O)nc[nH+]1 ZINC000578019554 390859793 /nfs/dbraw/zinc/85/97/93/390859793.db2.gz KDKGLIFAAZDZQI-SDDRHHMPSA-N 2 2 279.388 0.846 20 0 CCADLP COC(=O)[C@@H]1CN(CCCc2c[nH+]cn2C)CC[N@H+](C)C1 ZINC000578245625 390874000 /nfs/dbraw/zinc/87/40/00/390874000.db2.gz UOJXRCVHLDSKTM-ZDUSSCGKSA-N 2 2 294.399 0.389 20 0 CCADLP COC(=O)[C@@H]1CN(CCCc2c[nH+]cn2C)CC[N@@H+](C)C1 ZINC000578245625 390874001 /nfs/dbraw/zinc/87/40/01/390874001.db2.gz UOJXRCVHLDSKTM-ZDUSSCGKSA-N 2 2 294.399 0.389 20 0 CCADLP COC(=O)[C@H]1CN(C)CC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000578245625 390874002 /nfs/dbraw/zinc/87/40/02/390874002.db2.gz UOJXRCVHLDSKTM-ZDUSSCGKSA-N 2 2 294.399 0.389 20 0 CCADLP COC(=O)[C@H]1CN(C)CC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000578245625 390874003 /nfs/dbraw/zinc/87/40/03/390874003.db2.gz UOJXRCVHLDSKTM-ZDUSSCGKSA-N 2 2 294.399 0.389 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)[C@@H](C[NH3+])C1 ZINC000529347319 390815376 /nfs/dbraw/zinc/81/53/76/390815376.db2.gz FTMUHRYIUOPVHM-MQYQWHSLSA-N 2 2 280.416 0.707 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)[C@@H](C[NH3+])C1 ZINC000529347319 390815378 /nfs/dbraw/zinc/81/53/78/390815378.db2.gz FTMUHRYIUOPVHM-MQYQWHSLSA-N 2 2 280.416 0.707 20 0 CCADLP C[C@@H]([NH3+])[C@H]1C[N@H+](Cc2ccccc2-n2cncn2)CCO1 ZINC000647507246 390826302 /nfs/dbraw/zinc/82/63/02/390826302.db2.gz MJAQMDXFXWIGMX-IUODEOHRSA-N 2 2 287.367 0.815 20 0 CCADLP C[C@@H]([NH3+])[C@H]1C[N@@H+](Cc2ccccc2-n2cncn2)CCO1 ZINC000647507246 390826306 /nfs/dbraw/zinc/82/63/06/390826306.db2.gz MJAQMDXFXWIGMX-IUODEOHRSA-N 2 2 287.367 0.815 20 0 CCADLP C[C@H]([NH3+])[C@@H]1C[N@H+](Cc2ccccc2-n2cncn2)CCO1 ZINC000647507248 390826450 /nfs/dbraw/zinc/82/64/50/390826450.db2.gz MJAQMDXFXWIGMX-WFASDCNBSA-N 2 2 287.367 0.815 20 0 CCADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](Cc2ccccc2-n2cncn2)CCO1 ZINC000647507248 390826455 /nfs/dbraw/zinc/82/64/55/390826455.db2.gz MJAQMDXFXWIGMX-WFASDCNBSA-N 2 2 287.367 0.815 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCCn1cc[nH+]c1 ZINC000578640663 390895784 /nfs/dbraw/zinc/89/57/84/390895784.db2.gz UNCINGXFWGYRHU-LLVKDONJSA-N 2 2 261.329 0.991 20 0 CCADLP C[C@@H]([NH2+]C1CC1)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000449140439 533332335 /nfs/dbraw/zinc/33/23/35/533332335.db2.gz NRPFGLKWUCUTRW-UKRRQHHQSA-N 2 2 295.427 0.840 20 0 CCADLP COC(=O)CC1CC([NH2+][C@H]2CCC[N@H+](CCCO)C2)C1 ZINC000424355085 533330655 /nfs/dbraw/zinc/33/06/55/533330655.db2.gz SXGAWGKONXAZLZ-MOKVOYLWSA-N 2 2 284.400 0.765 20 0 CCADLP COC(=O)CC1CC([NH2+][C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000424355085 533330658 /nfs/dbraw/zinc/33/06/58/533330658.db2.gz SXGAWGKONXAZLZ-MOKVOYLWSA-N 2 2 284.400 0.765 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000528570402 285413297 /nfs/dbraw/zinc/41/32/97/285413297.db2.gz WQYKWHDMXADKHC-UHFFFAOYSA-N 2 2 262.357 0.888 20 0 CCADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(F)cn1 ZINC000358228385 533426858 /nfs/dbraw/zinc/42/68/58/533426858.db2.gz FQWFZNKHIJJASM-MFKMUULPSA-N 2 2 253.321 0.938 20 0 CCADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(F)cn1 ZINC000358228385 533426861 /nfs/dbraw/zinc/42/68/61/533426861.db2.gz FQWFZNKHIJJASM-MFKMUULPSA-N 2 2 253.321 0.938 20 0 CCADLP COC(=O)COC[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449399342 533545058 /nfs/dbraw/zinc/54/50/58/533545058.db2.gz ZYWQTMHVTWRJAO-CHWSQXEVSA-N 2 2 288.388 0.001 20 0 CCADLP COC(=O)COC[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449399342 533545064 /nfs/dbraw/zinc/54/50/64/533545064.db2.gz ZYWQTMHVTWRJAO-CHWSQXEVSA-N 2 2 288.388 0.001 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000192100396 130371116 /nfs/dbraw/zinc/37/11/16/130371116.db2.gz YYVLMKNUSMOSSB-WDEREUQCSA-N 2 2 273.340 0.867 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CCCn1cc[nH+]c1 ZINC000684069072 545608189 /nfs/dbraw/zinc/60/81/89/545608189.db2.gz GLPDFKWXSWRZJD-AWEZNQCLSA-N 2 2 294.399 0.842 20 0 CCADLP C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000237401835 131027598 /nfs/dbraw/zinc/02/75/98/131027598.db2.gz YXFDNIDVEQOHAZ-GXTWGEPZSA-N 2 2 277.368 0.351 20 0 CCADLP C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000237401835 131027599 /nfs/dbraw/zinc/02/75/99/131027599.db2.gz YXFDNIDVEQOHAZ-GXTWGEPZSA-N 2 2 277.368 0.351 20 0 CCADLP C[C@H](CNC(=O)[C@H]([NH3+])Cc1ccccc1)[NH+]1CCOCC1 ZINC000237459880 131033263 /nfs/dbraw/zinc/03/32/63/131033263.db2.gz RGGLFWGOSDVTPU-UKRRQHHQSA-N 2 2 291.395 0.393 20 0 CCADLP C[C@H](CNC(=O)c1ccc(C[NH3+])cc1)[NH+]1CCOCC1 ZINC000237487690 131036438 /nfs/dbraw/zinc/03/64/38/131036438.db2.gz ZKLNEDHEPBYICG-GFCCVEGCSA-N 2 2 277.368 0.596 20 0 CCADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000237605025 131046528 /nfs/dbraw/zinc/04/65/28/131046528.db2.gz IQEXMJZHLDHUGE-UHFFFAOYSA-N 2 2 280.372 0.673 20 0 CCADLP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CC[NH2+]CC1 ZINC000237884888 131063513 /nfs/dbraw/zinc/06/35/13/131063513.db2.gz JFCQVUHAOAZFSQ-UHFFFAOYSA-N 2 2 257.297 0.313 20 0 CCADLP [NH3+]Cc1nc(C(=O)NCCCC[NH+]2CCOCC2)cs1 ZINC000237927536 131066587 /nfs/dbraw/zinc/06/65/87/131066587.db2.gz HUFVSIXLWKCYJY-UHFFFAOYSA-N 2 2 298.412 0.444 20 0 CCADLP O=C(Cc1cn2ccccc2[nH+]1)N[C@H]1CCC[NH2+]C1 ZINC000238125947 131078302 /nfs/dbraw/zinc/07/83/02/131078302.db2.gz QAVQJFSEEODCLJ-NSHDSACASA-N 2 2 258.325 0.745 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)Cn1cccn1 ZINC000252959067 131139981 /nfs/dbraw/zinc/13/99/81/131139981.db2.gz LTEXPGUZDGDAQR-UPJWGTAASA-N 2 2 252.362 0.628 20 0 CCADLP O=C(Nc1cccc(-c2[nH]cc[nH+]2)c1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262519541 131228988 /nfs/dbraw/zinc/22/89/88/131228988.db2.gz NPMMBVWXZXQSCQ-NWDGAFQWSA-N 2 2 272.308 0.738 20 0 CCADLP [NH3+]C1(C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)CC1 ZINC000262699278 131252449 /nfs/dbraw/zinc/25/24/49/131252449.db2.gz GOBZMTLPUUIWNN-AWEZNQCLSA-N 2 2 289.379 0.356 20 0 CCADLP C[C@@H](C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000684068377 545608478 /nfs/dbraw/zinc/60/84/78/545608478.db2.gz XHHPDPCCVKCPLE-XQQFMLRXSA-N 2 2 271.405 0.504 20 0 CCADLP C[C@@H](C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000684068377 545608481 /nfs/dbraw/zinc/60/84/81/545608481.db2.gz XHHPDPCCVKCPLE-XQQFMLRXSA-N 2 2 271.405 0.504 20 0 CCADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000269070384 132107503 /nfs/dbraw/zinc/10/75/03/132107503.db2.gz STJVFUXYOQDKFS-NSHDSACASA-N 2 2 268.361 0.805 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@@]2(C)CC[NH2+]C2)c[nH+]1 ZINC000269222560 132134949 /nfs/dbraw/zinc/13/49/49/132134949.db2.gz AHVNFMIQMATSMS-AWEZNQCLSA-N 2 2 262.357 0.763 20 0 CCADLP C[NH2+]CCCC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000269224800 132135904 /nfs/dbraw/zinc/13/59/04/132135904.db2.gz CQGYPCILWPHPGJ-UHFFFAOYSA-N 2 2 250.346 0.763 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000269239357 132139307 /nfs/dbraw/zinc/13/93/07/132139307.db2.gz ITHUKSOGXVHHJC-GHMZBOCLSA-N 2 2 250.346 0.971 20 0 CCADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H]([NH3+])C(C)C)CC1 ZINC000269262043 132145733 /nfs/dbraw/zinc/14/57/33/132145733.db2.gz WSMVGQHNMNYBFU-CQSZACIVSA-N 2 2 294.399 0.919 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2COC3(CCC3)C2)CC1 ZINC000657857868 413068428 /nfs/dbraw/zinc/06/84/28/413068428.db2.gz WZFOOZBRCRACHG-LBPRGKRZSA-N 2 2 267.373 0.062 20 0 CCADLP CC1(C)C[C@H]([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)CO1 ZINC000657884440 413073160 /nfs/dbraw/zinc/07/31/60/413073160.db2.gz UHTRHJCJQQKLIZ-CABCVRRESA-N 2 2 297.443 0.550 20 0 CCADLP C[C@H](C[NH2+][C@H](C)Cn1cncn1)C[NH+]1CCOCC1 ZINC000657893356 413073426 /nfs/dbraw/zinc/07/34/26/413073426.db2.gz YLOGHNVXUHJDCO-CHWSQXEVSA-N 2 2 267.377 0.225 20 0 CCADLP COc1ccc(CC[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)cn1 ZINC000530221964 285574182 /nfs/dbraw/zinc/57/41/82/285574182.db2.gz QBWPKISPQJGRBL-OCCSQVGLSA-N 2 2 279.384 0.989 20 0 CCADLP COc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c(OC)c1 ZINC000358177266 533672811 /nfs/dbraw/zinc/67/28/11/533672811.db2.gz XOGIZQLSOBWGPB-OAHLLOKOSA-N 2 2 280.368 0.860 20 0 CCADLP COc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c(OC)c1 ZINC000358177266 533672820 /nfs/dbraw/zinc/67/28/20/533672820.db2.gz XOGIZQLSOBWGPB-OAHLLOKOSA-N 2 2 280.368 0.860 20 0 CCADLP Cc1cc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)cc(C)c1O ZINC000685421440 545817836 /nfs/dbraw/zinc/81/78/36/545817836.db2.gz CEPJSPWTFPZPPC-UHFFFAOYSA-N 2 2 291.395 0.873 20 0 CCADLP OCC[NH2+]C1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000271283933 135094365 /nfs/dbraw/zinc/09/43/65/135094365.db2.gz CVWQOQIEILEIEB-UHFFFAOYSA-N 2 2 262.357 0.905 20 0 CCADLP C[C@@H](Cn1cncn1)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000658026162 413090758 /nfs/dbraw/zinc/09/07/58/413090758.db2.gz RRGHHTGHRNGJAR-QWHCGFSZSA-N 2 2 267.377 0.103 20 0 CCADLP C[C@@H](Cn1cncn1)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000658026162 413090763 /nfs/dbraw/zinc/09/07/63/413090763.db2.gz RRGHHTGHRNGJAR-QWHCGFSZSA-N 2 2 267.377 0.103 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)NC1CC1 ZINC000037918063 397391619 /nfs/dbraw/zinc/39/16/19/397391619.db2.gz SQZMVEZDSVHYMY-YPMHNXCESA-N 2 2 251.374 0.729 20 0 CCADLP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)NC1CC1 ZINC000037918063 397391624 /nfs/dbraw/zinc/39/16/24/397391624.db2.gz SQZMVEZDSVHYMY-YPMHNXCESA-N 2 2 251.374 0.729 20 0 CCADLP CNC(=O)[C@H](CCSC)[NH2+]C1CC[NH+](C)CC1 ZINC000352488198 397465085 /nfs/dbraw/zinc/46/50/85/397465085.db2.gz NIMKCQKSULYOFW-NSHDSACASA-N 2 2 259.419 0.538 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357070113 144056461 /nfs/dbraw/zinc/05/64/61/144056461.db2.gz FUGKQHFWYGKBPD-UONOGXRCSA-N 2 2 283.416 0.461 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357070113 144056462 /nfs/dbraw/zinc/05/64/62/144056462.db2.gz FUGKQHFWYGKBPD-UONOGXRCSA-N 2 2 283.416 0.461 20 0 CCADLP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357074582 144057047 /nfs/dbraw/zinc/05/70/47/144057047.db2.gz IHAWEHGUYSDBAC-OLZOCXBDSA-N 2 2 251.374 0.396 20 0 CCADLP CN(CC1CC1)C(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357074582 144057049 /nfs/dbraw/zinc/05/70/49/144057049.db2.gz IHAWEHGUYSDBAC-OLZOCXBDSA-N 2 2 251.374 0.396 20 0 CCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357074692 144057293 /nfs/dbraw/zinc/05/72/93/144057293.db2.gz IKYYVFWOQGKSLJ-GRYCIOLGSA-N 2 2 296.415 0.541 20 0 CCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357074692 144057294 /nfs/dbraw/zinc/05/72/94/144057294.db2.gz IKYYVFWOQGKSLJ-GRYCIOLGSA-N 2 2 296.415 0.541 20 0 CCADLP COCCCn1nccc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357105210 144061047 /nfs/dbraw/zinc/06/10/47/144061047.db2.gz MZQGJYVMHXICDB-ZIAGYGMSSA-N 2 2 278.400 0.961 20 0 CCADLP COCCCn1nccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357105210 144061049 /nfs/dbraw/zinc/06/10/49/144061049.db2.gz MZQGJYVMHXICDB-ZIAGYGMSSA-N 2 2 278.400 0.961 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@@]1(CO)CCc2ccccc21)C1CC1 ZINC000685568958 545838072 /nfs/dbraw/zinc/83/80/72/545838072.db2.gz WQEJZJAXNIJKFO-DOTOQJQBSA-N 2 2 290.407 0.865 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)CCc2[nH]cc[nH+]2)CCO1 ZINC000357364845 144085569 /nfs/dbraw/zinc/08/55/69/144085569.db2.gz APSZHCYZYQVHRN-GFCCVEGCSA-N 2 2 280.372 0.569 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)CCc2[nH]cc[nH+]2)CCO1 ZINC000357364845 144085570 /nfs/dbraw/zinc/08/55/70/144085570.db2.gz APSZHCYZYQVHRN-GFCCVEGCSA-N 2 2 280.372 0.569 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@]1(CO)CCc2ccccc21)C1CC1 ZINC000685568958 545838077 /nfs/dbraw/zinc/83/80/77/545838077.db2.gz WQEJZJAXNIJKFO-DOTOQJQBSA-N 2 2 290.407 0.865 20 0 CCADLP CC[C@H](C(=O)OC)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357721875 144115716 /nfs/dbraw/zinc/11/57/16/144115716.db2.gz OPEGIIZWIIUAHV-GFCCVEGCSA-N 2 2 258.362 0.327 20 0 CCADLP CC[C@H](C(=O)OC)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357721875 144115717 /nfs/dbraw/zinc/11/57/17/144115717.db2.gz OPEGIIZWIIUAHV-GFCCVEGCSA-N 2 2 258.362 0.327 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000360104550 397473106 /nfs/dbraw/zinc/47/31/06/397473106.db2.gz MABWFNSTZZUPAF-UHFFFAOYSA-N 2 2 279.388 0.903 20 0 CCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000357933858 144134903 /nfs/dbraw/zinc/13/49/03/144134903.db2.gz YYRDYXFSMUOJIG-OLZOCXBDSA-N 2 2 290.367 0.021 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCS(=O)(=O)NC(C)C)C1 ZINC000358018328 144142501 /nfs/dbraw/zinc/14/25/01/144142501.db2.gz AQSGGIWZRYADMQ-NWDGAFQWSA-N 2 2 277.434 0.244 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCS(=O)(=O)NC(C)C)C1 ZINC000358018328 144142503 /nfs/dbraw/zinc/14/25/03/144142503.db2.gz AQSGGIWZRYADMQ-NWDGAFQWSA-N 2 2 277.434 0.244 20 0 CCADLP COc1ccc(C(=O)NCC[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000358013999 144142527 /nfs/dbraw/zinc/14/25/27/144142527.db2.gz JOAJWIMXLGYEHK-IUODEOHRSA-N 2 2 291.395 0.965 20 0 CCADLP COc1ccc(C(=O)NCC[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000358013999 144142529 /nfs/dbraw/zinc/14/25/29/144142529.db2.gz JOAJWIMXLGYEHK-IUODEOHRSA-N 2 2 291.395 0.965 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)CN2CCn3cc[nH+]c3C2)C[C@H](C)O1 ZINC000358540623 144160357 /nfs/dbraw/zinc/16/03/57/144160357.db2.gz HQLJVMPINOXEEB-HZSPNIEDSA-N 2 2 294.399 0.169 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)CN2CCn3cc[nH+]c3C2)C[C@H](C)O1 ZINC000358540623 144160359 /nfs/dbraw/zinc/16/03/59/144160359.db2.gz HQLJVMPINOXEEB-HZSPNIEDSA-N 2 2 294.399 0.169 20 0 CCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CC[NH2+][C@H](C)C1 ZINC000358681825 144171913 /nfs/dbraw/zinc/17/19/13/144171913.db2.gz BTEUOAMEUJDJCW-RDBSUJKOSA-N 2 2 282.432 0.127 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2nncn2C)CC1 ZINC000358803674 144180583 /nfs/dbraw/zinc/18/05/83/144180583.db2.gz FXMJVVUGWHGFEM-NWDGAFQWSA-N 2 2 294.403 0.018 20 0 CCADLP CS[C@@H]1CN(CC[NH+]2CCOCC2)C[C@@H]1[NH+]1CCCC1 ZINC000358828538 144182113 /nfs/dbraw/zinc/18/21/13/144182113.db2.gz QTDMFTKPHURFDN-LSDHHAIUSA-N 2 2 299.484 0.830 20 0 CCADLP CCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369257750 144260478 /nfs/dbraw/zinc/26/04/78/144260478.db2.gz SXNKHDJRIUEKFO-GFCCVEGCSA-N 2 2 268.405 0.864 20 0 CCADLP CCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369257750 144260480 /nfs/dbraw/zinc/26/04/80/144260480.db2.gz SXNKHDJRIUEKFO-GFCCVEGCSA-N 2 2 268.405 0.864 20 0 CCADLP CCCNC(=O)[C@H](C)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000369359959 144265214 /nfs/dbraw/zinc/26/52/14/144265214.db2.gz UDGVKAXSZOACED-GJZGRUSLSA-N 2 2 296.459 0.613 20 0 CCADLP CCCNC(=O)[C@H](C)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000369359959 144265215 /nfs/dbraw/zinc/26/52/15/144265215.db2.gz UDGVKAXSZOACED-GJZGRUSLSA-N 2 2 296.459 0.613 20 0 CCADLP CC[NH+]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000370368571 144300001 /nfs/dbraw/zinc/30/00/01/144300001.db2.gz VBAZGKFNBQSZTM-OKILXGFUSA-N 2 2 253.390 0.487 20 0 CCADLP CC[NH+]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000370368571 144300002 /nfs/dbraw/zinc/30/00/02/144300002.db2.gz VBAZGKFNBQSZTM-OKILXGFUSA-N 2 2 253.390 0.487 20 0 CCADLP C[NH+](C)CC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000370603261 144309711 /nfs/dbraw/zinc/30/97/11/144309711.db2.gz JOTVUJGSPPSOSA-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000371199175 144321661 /nfs/dbraw/zinc/32/16/61/144321661.db2.gz RSQQZQLOYCQWEN-GFCCVEGCSA-N 2 2 264.329 0.718 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000371199175 144321662 /nfs/dbraw/zinc/32/16/62/144321662.db2.gz RSQQZQLOYCQWEN-GFCCVEGCSA-N 2 2 264.329 0.718 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](N2CCOCC2)C1 ZINC000394602774 397517106 /nfs/dbraw/zinc/51/71/06/397517106.db2.gz PYJDYRFCTIRTLU-HOTGVXAUSA-N 2 2 299.459 0.484 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](N2CCOCC2)C1 ZINC000394602774 397517109 /nfs/dbraw/zinc/51/71/09/397517109.db2.gz PYJDYRFCTIRTLU-HOTGVXAUSA-N 2 2 299.459 0.484 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000394602774 397517115 /nfs/dbraw/zinc/51/71/15/397517115.db2.gz PYJDYRFCTIRTLU-HOTGVXAUSA-N 2 2 299.459 0.484 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000394602774 397517120 /nfs/dbraw/zinc/51/71/20/397517120.db2.gz PYJDYRFCTIRTLU-HOTGVXAUSA-N 2 2 299.459 0.484 20 0 CCADLP Cc1nc(NCC[N@H+](C)Cc2ccccc2)nc(N)[nH+]1 ZINC000386533869 397502462 /nfs/dbraw/zinc/50/24/62/397502462.db2.gz APHHUNUOJPYNGS-UHFFFAOYSA-N 2 2 272.356 0.558 20 0 CCADLP CSc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])nc1 ZINC000580298638 397582213 /nfs/dbraw/zinc/58/22/13/397582213.db2.gz YDHGUHMHFBPWHV-SNVBAGLBSA-N 2 2 295.412 0.910 20 0 CCADLP CSc1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])nc1 ZINC000580298638 397582214 /nfs/dbraw/zinc/58/22/14/397582214.db2.gz YDHGUHMHFBPWHV-SNVBAGLBSA-N 2 2 295.412 0.910 20 0 CCADLP CNC(=O)C[C@]1(O)CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000643816463 397599619 /nfs/dbraw/zinc/59/96/19/397599619.db2.gz BJYWRGKPLUXWOT-CQSZACIVSA-N 2 2 280.372 0.236 20 0 CCADLP CNC(=O)C[C@]1(O)CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000643816463 397599620 /nfs/dbraw/zinc/59/96/20/397599620.db2.gz BJYWRGKPLUXWOT-CQSZACIVSA-N 2 2 280.372 0.236 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649686055 397655927 /nfs/dbraw/zinc/65/59/27/397655927.db2.gz WTXVMCCNGFJYKA-UHFFFAOYSA-N 3 2 293.415 0.287 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649686055 397655930 /nfs/dbraw/zinc/65/59/30/397655930.db2.gz WTXVMCCNGFJYKA-UHFFFAOYSA-N 3 2 293.415 0.287 20 0 CCADLP Cc1cc(C[NH+]2CCN(C[C@@H]3CC[NH2+]C3)CC2)on1 ZINC000649411416 397606287 /nfs/dbraw/zinc/60/62/87/397606287.db2.gz VDXONIOLQIPTLP-CYBMUJFWSA-N 2 2 264.373 0.710 20 0 CCADLP Cc1cc(CN2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)on1 ZINC000649411416 397606289 /nfs/dbraw/zinc/60/62/89/397606289.db2.gz VDXONIOLQIPTLP-CYBMUJFWSA-N 2 2 264.373 0.710 20 0 CCADLP C[C@H](c1ccncc1)[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649688102 397657184 /nfs/dbraw/zinc/65/71/84/397657184.db2.gz RCKOEQVLHBNICQ-CYBMUJFWSA-N 2 2 276.384 0.848 20 0 CCADLP C[C@H](c1ccncc1)[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649688102 397657186 /nfs/dbraw/zinc/65/71/86/397657186.db2.gz RCKOEQVLHBNICQ-CYBMUJFWSA-N 2 2 276.384 0.848 20 0 CCADLP CC[C@H](C)NC(=O)C[NH+]1CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000649478268 397617846 /nfs/dbraw/zinc/61/78/46/397617846.db2.gz AGHXKMZDLJVWTC-LSDHHAIUSA-N 2 2 296.459 0.613 20 0 CCADLP CC[C@H](C)NC(=O)C[NH+]1CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000649478268 397617848 /nfs/dbraw/zinc/61/78/48/397617848.db2.gz AGHXKMZDLJVWTC-LSDHHAIUSA-N 2 2 296.459 0.613 20 0 CCADLP CC1(C)C[N@H+](CCn2cc[nH+]c2)[C@@H]2COC[C@H]2O1 ZINC000649912359 397682920 /nfs/dbraw/zinc/68/29/20/397682920.db2.gz FTSAWXYRZBROHF-VXGBXAGGSA-N 2 2 251.330 0.761 20 0 CCADLP CC1(C)C[N@@H+](CCn2cc[nH+]c2)[C@@H]2COC[C@H]2O1 ZINC000649912359 397682921 /nfs/dbraw/zinc/68/29/21/397682921.db2.gz FTSAWXYRZBROHF-VXGBXAGGSA-N 2 2 251.330 0.761 20 0 CCADLP Cc1[nH+]cc2n1C[C@H](C(=O)NCCn1cc[nH+]c1)CC2 ZINC000651100808 397827067 /nfs/dbraw/zinc/82/70/67/397827067.db2.gz XVDYFILMANYWQJ-GFCCVEGCSA-N 2 2 273.340 0.767 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)NCCc1[nH]cc[nH+]1 ZINC000651302776 397878645 /nfs/dbraw/zinc/87/86/45/397878645.db2.gz VMKGMRBPLAHFOV-UHFFFAOYSA-N 2 2 273.340 0.844 20 0 CCADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CC(C)(C)O ZINC000548055511 286001032 /nfs/dbraw/zinc/00/10/32/286001032.db2.gz FBHGYUHWVWXOOI-LBPRGKRZSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[N@H+]1CC(C)(C)O ZINC000548055511 286001038 /nfs/dbraw/zinc/00/10/38/286001038.db2.gz FBHGYUHWVWXOOI-LBPRGKRZSA-N 2 2 294.399 0.266 20 0 CCADLP COCC(C)(C)C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000494017901 292196974 /nfs/dbraw/zinc/19/69/74/292196974.db2.gz OAJXQGNOPSDSSO-GFCCVEGCSA-N 2 2 271.405 0.588 20 0 CCADLP COCC(C)(C)C[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000494017901 292196977 /nfs/dbraw/zinc/19/69/77/292196977.db2.gz OAJXQGNOPSDSSO-GFCCVEGCSA-N 2 2 271.405 0.588 20 0 CCADLP CCOCCNC(=O)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420366823 286095744 /nfs/dbraw/zinc/09/57/44/286095744.db2.gz MNWBACKSZFJWKJ-DMDPSCGWSA-N 2 2 257.378 0.115 20 0 CCADLP CN(C)S(=O)(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000375577042 289243741 /nfs/dbraw/zinc/24/37/41/289243741.db2.gz IKXAGTZMLCZUMS-QWHCGFSZSA-N 2 2 289.445 0.294 20 0 CCADLP CN(C)S(=O)(=O)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000375577042 289243743 /nfs/dbraw/zinc/24/37/43/289243743.db2.gz IKXAGTZMLCZUMS-QWHCGFSZSA-N 2 2 289.445 0.294 20 0 CCADLP CN(C)S(=O)(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000375577042 289243745 /nfs/dbraw/zinc/24/37/45/289243745.db2.gz IKXAGTZMLCZUMS-QWHCGFSZSA-N 2 2 289.445 0.294 20 0 CCADLP CN(C)S(=O)(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000375577042 289243749 /nfs/dbraw/zinc/24/37/49/289243749.db2.gz IKXAGTZMLCZUMS-QWHCGFSZSA-N 2 2 289.445 0.294 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000552981488 286177143 /nfs/dbraw/zinc/17/71/43/286177143.db2.gz SZKQQOZHYSGAIX-STQMWFEESA-N 2 2 269.389 0.164 20 0 CCADLP COc1cc(OC)c(C[N@H+](C)C[C@H](O)C[NH3+])c(OC)c1 ZINC000415053790 286239716 /nfs/dbraw/zinc/23/97/16/286239716.db2.gz KPYOSBOWPQSVAJ-SNVBAGLBSA-N 2 2 284.356 0.464 20 0 CCADLP COc1cc(OC)c(C[N@@H+](C)C[C@H](O)C[NH3+])c(OC)c1 ZINC000415053790 286239718 /nfs/dbraw/zinc/23/97/18/286239718.db2.gz KPYOSBOWPQSVAJ-SNVBAGLBSA-N 2 2 284.356 0.464 20 0 CCADLP COCCC[N@H+](C)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000495858313 292340023 /nfs/dbraw/zinc/34/00/23/292340023.db2.gz KNUFGQHURQONBD-HNNXBMFYSA-N 2 2 297.399 0.829 20 0 CCADLP COCCC[N@@H+](C)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000495858313 292340024 /nfs/dbraw/zinc/34/00/24/292340024.db2.gz KNUFGQHURQONBD-HNNXBMFYSA-N 2 2 297.399 0.829 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000333239292 286893667 /nfs/dbraw/zinc/89/36/67/286893667.db2.gz DNKOQAPPJJIWDX-XDQVBPFNSA-N 2 2 256.390 0.894 20 0 CCADLP [NH3+]C1(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC2(CCC2)C1 ZINC000659359308 413443111 /nfs/dbraw/zinc/44/31/11/413443111.db2.gz ZAWSDPBRACQIGC-CYBMUJFWSA-N 2 2 293.411 0.581 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)[C@@H]1CCCC[NH2+]1 ZINC000423040139 287029046 /nfs/dbraw/zinc/02/90/46/287029046.db2.gz GPCOZKRPOTZFSK-MNOVXSKESA-N 2 2 265.361 0.260 20 0 CCADLP O=C([C@@H]1C[NH2+]CCO1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000043709900 411627239 /nfs/dbraw/zinc/62/72/39/411627239.db2.gz DRMIAGOMDURCLP-ZDUSSCGKSA-N 2 2 295.408 0.381 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)NC1CCOCC1 ZINC000062769214 411687527 /nfs/dbraw/zinc/68/75/27/411687527.db2.gz GWTVTNRFRVUMRL-HIFRSBDPSA-N 2 2 295.427 0.746 20 0 CCADLP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)NC1CCOCC1 ZINC000062769214 411687530 /nfs/dbraw/zinc/68/75/30/411687530.db2.gz GWTVTNRFRVUMRL-HIFRSBDPSA-N 2 2 295.427 0.746 20 0 CCADLP C[C@H](C1CC1)[N@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000071838167 411693915 /nfs/dbraw/zinc/69/39/15/411693915.db2.gz JIJLDEKHIYYAKV-CYBMUJFWSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H](C1CC1)[N@@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000071838167 411693919 /nfs/dbraw/zinc/69/39/19/411693919.db2.gz JIJLDEKHIYYAKV-CYBMUJFWSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000311152784 411749435 /nfs/dbraw/zinc/74/94/35/411749435.db2.gz NPRLFRBXWUBDSO-WCQYABFASA-N 2 2 254.378 0.772 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000311152784 411749440 /nfs/dbraw/zinc/74/94/40/411749440.db2.gz NPRLFRBXWUBDSO-WCQYABFASA-N 2 2 254.378 0.772 20 0 CCADLP CCO[C@@H]1C[N@H+](CC(=O)NCc2ccccc2)C[C@H]1C[NH3+] ZINC000405433346 411801562 /nfs/dbraw/zinc/80/15/62/411801562.db2.gz IOFUKPYIPHWXMZ-HUUCEWRRSA-N 2 2 291.395 0.598 20 0 CCADLP CCO[C@@H]1C[N@@H+](CC(=O)NCc2ccccc2)C[C@H]1C[NH3+] ZINC000405433346 411801565 /nfs/dbraw/zinc/80/15/65/411801565.db2.gz IOFUKPYIPHWXMZ-HUUCEWRRSA-N 2 2 291.395 0.598 20 0 CCADLP CN(CC[NH+](C)C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651428777 411868087 /nfs/dbraw/zinc/86/80/87/411868087.db2.gz KYGYRDFMUYZGTD-UHFFFAOYSA-N 2 2 264.373 0.782 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2C)C1 ZINC000652339469 412031638 /nfs/dbraw/zinc/03/16/38/412031638.db2.gz XAIXUBICDAXPKZ-ZIAGYGMSSA-N 3 2 266.389 0.799 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2C)C1 ZINC000652339469 412031640 /nfs/dbraw/zinc/03/16/40/412031640.db2.gz XAIXUBICDAXPKZ-ZIAGYGMSSA-N 3 2 266.389 0.799 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2C)C1 ZINC000652339467 412031967 /nfs/dbraw/zinc/03/19/67/412031967.db2.gz XAIXUBICDAXPKZ-KGLIPLIRSA-N 3 2 266.389 0.799 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2C)C1 ZINC000652339467 412031970 /nfs/dbraw/zinc/03/19/70/412031970.db2.gz XAIXUBICDAXPKZ-KGLIPLIRSA-N 3 2 266.389 0.799 20 0 CCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NCCc1cn(C)c[nH+]1)CC2 ZINC000652430264 412052624 /nfs/dbraw/zinc/05/26/24/412052624.db2.gz WPPOFVWMIVJZMN-LBPRGKRZSA-N 2 2 287.367 0.846 20 0 CCADLP CC[NH2+]CCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653045398 412198576 /nfs/dbraw/zinc/19/85/76/412198576.db2.gz JBURXRMLXBEWSD-UHFFFAOYSA-N 2 2 264.373 0.878 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000653051350 412202777 /nfs/dbraw/zinc/20/27/77/412202777.db2.gz WJBDGJYQMJAXMW-CHWSQXEVSA-N 3 2 270.421 0.289 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1n[nH]c(C(F)(F)F)n1 ZINC000653057513 412204590 /nfs/dbraw/zinc/20/45/90/412204590.db2.gz FKASCHLVLDBUQQ-RXMQYKEDSA-N 2 2 280.254 0.041 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCOc1cccc(F)c1 ZINC000653068421 412207377 /nfs/dbraw/zinc/20/73/77/412207377.db2.gz BTCWNYVFJFUGGU-CYBMUJFWSA-N 2 2 283.347 0.600 20 0 CCADLP CCOC[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653090640 412214232 /nfs/dbraw/zinc/21/42/32/412214232.db2.gz WDRCYPBIHUAMJW-OLZOCXBDSA-N 2 2 271.405 0.541 20 0 CCADLP C[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(=O)Nc1ccccc1 ZINC000653090001 412214239 /nfs/dbraw/zinc/21/42/39/412214239.db2.gz BCIDXCLTPLEDIB-YPMHNXCESA-N 2 2 292.383 0.409 20 0 CCADLP CCn1cc(CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C(C)C)cn1 ZINC000653252193 412270349 /nfs/dbraw/zinc/27/03/49/412270349.db2.gz MKVIMLDRBLIXCI-AWEZNQCLSA-N 2 2 295.431 0.919 20 0 CCADLP C[C@H](COCC1CC1)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653255328 412271440 /nfs/dbraw/zinc/27/14/40/412271440.db2.gz OXPOHQUMWLLDBN-ZYHUDNBSSA-N 2 2 257.378 0.197 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC1(CS(C)(=O)=O)CC1 ZINC000653299455 412285616 /nfs/dbraw/zinc/28/56/16/412285616.db2.gz UZSABTURYRUWIG-GHMZBOCLSA-N 2 2 260.403 0.623 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC1(CS(C)(=O)=O)CC1 ZINC000653299455 412285617 /nfs/dbraw/zinc/28/56/17/412285617.db2.gz UZSABTURYRUWIG-GHMZBOCLSA-N 2 2 260.403 0.623 20 0 CCADLP COC[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653096526 412216852 /nfs/dbraw/zinc/21/68/52/412216852.db2.gz NVRULRKJXBMESG-GJZGRUSLSA-N 2 2 293.411 0.639 20 0 CCADLP CCO[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C12CCC2 ZINC000653096235 412217035 /nfs/dbraw/zinc/21/70/35/412217035.db2.gz GSRVFGGZLYJVRB-FRRDWIJNSA-N 2 2 283.416 0.729 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C[C@H](C(F)(F)F)O1 ZINC000653097347 412217480 /nfs/dbraw/zinc/21/74/80/412217480.db2.gz KJOYZZCBUCXMIO-OPRDCNLKSA-N 2 2 297.321 0.444 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@H]2CCC[NH2+]CC2)CCO1 ZINC000653114370 412225716 /nfs/dbraw/zinc/22/57/16/412225716.db2.gz FXSYEMJOXXJWGN-STQMWFEESA-N 2 2 269.389 0.213 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]2CCC[NH2+]CC2)CCO1 ZINC000653114370 412225718 /nfs/dbraw/zinc/22/57/18/412225718.db2.gz FXSYEMJOXXJWGN-STQMWFEESA-N 2 2 269.389 0.213 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000653113645 412226585 /nfs/dbraw/zinc/22/65/85/412226585.db2.gz KATYXTZHLBWBIZ-UWVGGRQHSA-N 2 2 296.337 0.018 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653116642 412227834 /nfs/dbraw/zinc/22/78/34/412227834.db2.gz NVSBITZNTPXVEO-OLZOCXBDSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653116642 412227838 /nfs/dbraw/zinc/22/78/38/412227838.db2.gz NVSBITZNTPXVEO-OLZOCXBDSA-N 2 2 269.389 0.213 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653116729 412228239 /nfs/dbraw/zinc/22/82/39/412228239.db2.gz QHHVDQQXSTYYJQ-ZDUSSCGKSA-N 2 2 283.416 0.603 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653116729 412228241 /nfs/dbraw/zinc/22/82/41/412228241.db2.gz QHHVDQQXSTYYJQ-ZDUSSCGKSA-N 2 2 283.416 0.603 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000653120030 412229115 /nfs/dbraw/zinc/22/91/15/412229115.db2.gz CTWWXVCYILEWPH-OLZOCXBDSA-N 3 2 286.464 0.748 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCC[NH2+]CC1)[NH+]1CCN(C)CC1 ZINC000653124706 412232160 /nfs/dbraw/zinc/23/21/60/412232160.db2.gz FJILJWVVEYCEDB-UONOGXRCSA-N 2 2 282.432 0.128 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C[N@@H+]1C1CC1 ZINC000653123701 412232824 /nfs/dbraw/zinc/23/28/24/412232824.db2.gz DQEPMULRJTYNLP-NTZNESFSSA-N 3 2 268.405 0.007 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C[N@H+]1C1CC1 ZINC000653123701 412232827 /nfs/dbraw/zinc/23/28/27/412232827.db2.gz DQEPMULRJTYNLP-NTZNESFSSA-N 3 2 268.405 0.007 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000653128652 412234552 /nfs/dbraw/zinc/23/45/52/412234552.db2.gz QSFUUVAPQJVZEC-RYUDHWBXSA-N 2 2 276.384 0.958 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653144901 412240702 /nfs/dbraw/zinc/24/07/02/412240702.db2.gz LSCPBASHZNYMDN-NXEZZACHSA-N 2 2 250.346 0.614 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000653148721 412241827 /nfs/dbraw/zinc/24/18/27/412241827.db2.gz ITVCWRPSXCJNSG-MJBXVCDLSA-N 2 2 277.368 0.040 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc2c[nH]nc2c1 ZINC000653147953 412242161 /nfs/dbraw/zinc/24/21/61/412242161.db2.gz HYSYWZWBVPYYIW-NSHDSACASA-N 2 2 261.329 0.780 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653149174 412242230 /nfs/dbraw/zinc/24/22/30/412242230.db2.gz ZCLXIDKFHJVNSY-UONOGXRCSA-N 2 2 281.400 0.308 20 0 CCADLP Cc1[nH+]ccn1CCCN(C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653155396 412245348 /nfs/dbraw/zinc/24/53/48/412245348.db2.gz RREJBNLNSTUWND-CYBMUJFWSA-N 3 2 281.404 0.319 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cncnc1N1CCCC1 ZINC000653156843 412246609 /nfs/dbraw/zinc/24/66/09/412246609.db2.gz NQKNZGNHTHXZLC-LLVKDONJSA-N 2 2 292.387 0.294 20 0 CCADLP COCC[C@@H]1CCCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653159384 412246725 /nfs/dbraw/zinc/24/67/25/412246725.db2.gz AUMZSJYVFDWBCX-UONOGXRCSA-N 2 2 285.432 0.931 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](CC(N)=O)C1CCCC1 ZINC000653544059 412314398 /nfs/dbraw/zinc/31/43/98/412314398.db2.gz KONFYXSEINAXMF-LBPRGKRZSA-N 2 2 257.378 0.029 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](CC(N)=O)C1CCCC1 ZINC000653544059 412314402 /nfs/dbraw/zinc/31/44/02/412314402.db2.gz KONFYXSEINAXMF-LBPRGKRZSA-N 2 2 257.378 0.029 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](CC(N)=O)C1CCCC1 ZINC000653544059 412314407 /nfs/dbraw/zinc/31/44/07/412314407.db2.gz KONFYXSEINAXMF-LBPRGKRZSA-N 2 2 257.378 0.029 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](CC(N)=O)C1CCCC1 ZINC000653544059 412314409 /nfs/dbraw/zinc/31/44/09/412314409.db2.gz KONFYXSEINAXMF-LBPRGKRZSA-N 2 2 257.378 0.029 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(OCCCO)CC1 ZINC000653567954 412319026 /nfs/dbraw/zinc/31/90/26/412319026.db2.gz FYKPHFRCDAMILE-ZDUSSCGKSA-N 2 2 274.405 0.162 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(OCCCO)CC1 ZINC000653567954 412319029 /nfs/dbraw/zinc/31/90/29/412319029.db2.gz FYKPHFRCDAMILE-ZDUSSCGKSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]2(CCOC2)C1 ZINC000653755559 412341839 /nfs/dbraw/zinc/34/18/39/412341839.db2.gz XUQWVURGRIGLKI-HUUCEWRRSA-N 2 2 286.416 0.428 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]2(CCOC2)C1 ZINC000653755559 412341843 /nfs/dbraw/zinc/34/18/43/412341843.db2.gz XUQWVURGRIGLKI-HUUCEWRRSA-N 2 2 286.416 0.428 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000653755559 412341846 /nfs/dbraw/zinc/34/18/46/412341846.db2.gz XUQWVURGRIGLKI-HUUCEWRRSA-N 2 2 286.416 0.428 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000653755559 412341849 /nfs/dbraw/zinc/34/18/49/412341849.db2.gz XUQWVURGRIGLKI-HUUCEWRRSA-N 2 2 286.416 0.428 20 0 CCADLP COCC[N@H+](CCn1cc[nH+]c1)C[C@H](O)C(F)(F)F ZINC000653787685 412348026 /nfs/dbraw/zinc/34/80/26/412348026.db2.gz GEIHDEVFRPFLRX-JTQLQIEISA-N 2 2 281.278 0.755 20 0 CCADLP COCC[N@@H+](CCn1cc[nH+]c1)C[C@H](O)C(F)(F)F ZINC000653787685 412348029 /nfs/dbraw/zinc/34/80/29/412348029.db2.gz GEIHDEVFRPFLRX-JTQLQIEISA-N 2 2 281.278 0.755 20 0 CCADLP CCC(C)(C)[NH+]1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000653807988 412349686 /nfs/dbraw/zinc/34/96/86/412349686.db2.gz MFJMBSFEEVAARM-HNNXBMFYSA-N 2 2 299.459 0.486 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654374757 412389279 /nfs/dbraw/zinc/38/92/79/412389279.db2.gz MDRUUVRMFVGFHP-MELADBBJSA-N 2 2 298.431 0.347 20 0 CCADLP Cc1ccc(NCCCNC(=O)[C@H]2[NH2+]CCO[C@@H]2C)[nH+]c1 ZINC000285005981 196176175 /nfs/dbraw/zinc/17/61/75/196176175.db2.gz ZZMZVODHNKAIGL-OCCSQVGLSA-N 2 2 292.383 0.685 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCC1([NH3+])CCCC1 ZINC000659451614 413510855 /nfs/dbraw/zinc/51/08/55/413510855.db2.gz TUHUEEANDSUMJB-GFCCVEGCSA-N 2 2 284.404 0.278 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCC1([NH3+])CCCC1 ZINC000659451614 413510860 /nfs/dbraw/zinc/51/08/60/413510860.db2.gz TUHUEEANDSUMJB-GFCCVEGCSA-N 2 2 284.404 0.278 20 0 CCADLP C[C@H]1C[C@H](NC(=O)NCC23CC(C2)C[NH2+]3)c2[nH+]ccn21 ZINC000659502339 413557542 /nfs/dbraw/zinc/55/75/42/413557542.db2.gz WKGQVMVTXMQDDS-OZAVNUTGSA-N 2 2 275.356 0.940 20 0 CCADLP [NH3+]C1CCC(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000659520261 413591594 /nfs/dbraw/zinc/59/15/94/413591594.db2.gz YOFRYDANRFNGIH-RUXDESIVSA-N 2 2 296.415 0.372 20 0 CCADLP C[C@@H](CCCC[NH3+])NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659550429 413639188 /nfs/dbraw/zinc/63/91/88/413639188.db2.gz XLRIJHFGLBVMPG-UONOGXRCSA-N 2 2 298.431 0.620 20 0 CCADLP CC(C)[C@H]([NH3+])CCNC(=O)N1CCn2c[nH+]cc2C1 ZINC000659618718 413716021 /nfs/dbraw/zinc/71/60/21/413716021.db2.gz DYEPAYTZCWEYPK-GFCCVEGCSA-N 2 2 265.361 0.782 20 0 CCADLP CN(C)S(=O)(=O)CC[N@H+](C)CCCn1cc[nH+]c1 ZINC000285483669 196300612 /nfs/dbraw/zinc/30/06/12/196300612.db2.gz CVSBJNJCXOWDNW-UHFFFAOYSA-N 2 2 274.390 0.096 20 0 CCADLP CN(C)S(=O)(=O)CC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000285483669 196300614 /nfs/dbraw/zinc/30/06/14/196300614.db2.gz CVSBJNJCXOWDNW-UHFFFAOYSA-N 2 2 274.390 0.096 20 0 CCADLP CC1(C)C[C@H]([NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)CO1 ZINC000659877710 413934719 /nfs/dbraw/zinc/93/47/19/413934719.db2.gz JZGHILFYJAFFMO-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Nc1cnccn1 ZINC000659882920 413937781 /nfs/dbraw/zinc/93/77/81/413937781.db2.gz OZMQYEANDFQDKF-GFCCVEGCSA-N 2 2 286.339 0.949 20 0 CCADLP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Nc1cnccn1 ZINC000659882920 413937786 /nfs/dbraw/zinc/93/77/86/413937786.db2.gz OZMQYEANDFQDKF-GFCCVEGCSA-N 2 2 286.339 0.949 20 0 CCADLP C[NH+](CCC[N@@H+](C)CC(=O)NC(N)=O)Cc1ccco1 ZINC000285570441 196329908 /nfs/dbraw/zinc/32/99/08/196329908.db2.gz HWAAEAOSAIEWHM-UHFFFAOYSA-N 2 2 282.344 0.228 20 0 CCADLP C[NH+](CCC[N@H+](C)CC(=O)NC(N)=O)Cc1ccco1 ZINC000285570441 196329909 /nfs/dbraw/zinc/32/99/09/196329909.db2.gz HWAAEAOSAIEWHM-UHFFFAOYSA-N 2 2 282.344 0.228 20 0 CCADLP C[NH+](CCC[N@H+](C)Cc1ccco1)CC(=O)NC(N)=O ZINC000285570441 196329912 /nfs/dbraw/zinc/32/99/12/196329912.db2.gz HWAAEAOSAIEWHM-UHFFFAOYSA-N 2 2 282.344 0.228 20 0 CCADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CC(=O)NC(N)=O ZINC000285570441 196329914 /nfs/dbraw/zinc/32/99/14/196329914.db2.gz HWAAEAOSAIEWHM-UHFFFAOYSA-N 2 2 282.344 0.228 20 0 CCADLP COCC[NH+]1CCN(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000659835502 413901806 /nfs/dbraw/zinc/90/18/06/413901806.db2.gz KNNNQJNIJAWHAV-HUUCEWRRSA-N 2 2 285.432 0.360 20 0 CCADLP COCCOC1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000659933820 413987312 /nfs/dbraw/zinc/98/73/12/413987312.db2.gz GIPYUSARNOUEKJ-AWEZNQCLSA-N 2 2 288.432 0.815 20 0 CCADLP COCCOC1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000659933820 413987316 /nfs/dbraw/zinc/98/73/16/413987316.db2.gz GIPYUSARNOUEKJ-AWEZNQCLSA-N 2 2 288.432 0.815 20 0 CCADLP CCN1CC[C@H]([N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000659955098 414001762 /nfs/dbraw/zinc/00/17/62/414001762.db2.gz IMDORXBECWKQIR-KBPBESRZSA-N 2 2 281.400 0.261 20 0 CCADLP CCN1CC[C@H]([N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000659955098 414001768 /nfs/dbraw/zinc/00/17/68/414001768.db2.gz IMDORXBECWKQIR-KBPBESRZSA-N 2 2 281.400 0.261 20 0 CCADLP O=C(C[C@@H]1COCC[NH2+]1)NCCCCNc1cccc[nH+]1 ZINC000285726583 196379566 /nfs/dbraw/zinc/37/95/66/196379566.db2.gz GCVWJHCWLIDOEZ-CYBMUJFWSA-N 2 2 292.383 0.768 20 0 CCADLP O=C(C[C@H]1COCC[NH2+]1)NCCCCNc1cccc[nH+]1 ZINC000285726588 196379862 /nfs/dbraw/zinc/37/98/62/196379862.db2.gz GCVWJHCWLIDOEZ-ZDUSSCGKSA-N 2 2 292.383 0.768 20 0 CCADLP C[NH+](C)CC(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000285726669 196379938 /nfs/dbraw/zinc/37/99/38/196379938.db2.gz GDSZOQIYMWALFE-OAHLLOKOSA-N 2 2 275.396 0.933 20 0 CCADLP C[NH+](C)CC(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000285726669 196379939 /nfs/dbraw/zinc/37/99/39/196379939.db2.gz GDSZOQIYMWALFE-OAHLLOKOSA-N 2 2 275.396 0.933 20 0 CCADLP COCC1(O)CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000660131771 414137983 /nfs/dbraw/zinc/13/79/83/414137983.db2.gz MHJCORGEGFACFW-CYBMUJFWSA-N 2 2 274.405 0.161 20 0 CCADLP COCC1(O)CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000660131771 414137987 /nfs/dbraw/zinc/13/79/87/414137987.db2.gz MHJCORGEGFACFW-CYBMUJFWSA-N 2 2 274.405 0.161 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)CN(C)[C@H](C)C[NH+]1CCOCC1 ZINC000660435458 414313605 /nfs/dbraw/zinc/31/36/05/414313605.db2.gz GYESZLIVKFDZIB-HUUCEWRRSA-N 2 2 287.448 0.340 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)CN(C)[C@H](C)C[NH+]1CCOCC1 ZINC000660435458 414313614 /nfs/dbraw/zinc/31/36/14/414313614.db2.gz GYESZLIVKFDZIB-HUUCEWRRSA-N 2 2 287.448 0.340 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)CN1CCOCC1 ZINC000660435458 414313623 /nfs/dbraw/zinc/31/36/23/414313623.db2.gz GYESZLIVKFDZIB-HUUCEWRRSA-N 2 2 287.448 0.340 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)CN1CCOCC1 ZINC000660435458 414313633 /nfs/dbraw/zinc/31/36/33/414313633.db2.gz GYESZLIVKFDZIB-HUUCEWRRSA-N 2 2 287.448 0.340 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)CN1CCOCC1 ZINC000660435458 414313641 /nfs/dbraw/zinc/31/36/41/414313641.db2.gz GYESZLIVKFDZIB-HUUCEWRRSA-N 2 2 287.448 0.340 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)CN1CCOCC1 ZINC000660435458 414313648 /nfs/dbraw/zinc/31/36/48/414313648.db2.gz GYESZLIVKFDZIB-HUUCEWRRSA-N 2 2 287.448 0.340 20 0 CCADLP CN(C)C(=O)CC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660471489 414342713 /nfs/dbraw/zinc/34/27/13/414342713.db2.gz AFFCEBAGSBQGOE-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP CN(C)C(=O)CC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660471489 414342721 /nfs/dbraw/zinc/34/27/21/414342721.db2.gz AFFCEBAGSBQGOE-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP CCNC(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660466987 414343267 /nfs/dbraw/zinc/34/32/67/414343267.db2.gz DACCLIPUKWVPNF-CYBMUJFWSA-N 2 2 269.389 0.309 20 0 CCADLP CCNC(=O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660466987 414343269 /nfs/dbraw/zinc/34/32/69/414343269.db2.gz DACCLIPUKWVPNF-CYBMUJFWSA-N 2 2 269.389 0.309 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000660476523 414351666 /nfs/dbraw/zinc/35/16/66/414351666.db2.gz ZJQAAPPGOYGIRP-HZPDHXFCSA-N 2 2 299.459 0.486 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000660476523 414351673 /nfs/dbraw/zinc/35/16/73/414351673.db2.gz ZJQAAPPGOYGIRP-HZPDHXFCSA-N 2 2 299.459 0.486 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000660476523 414351680 /nfs/dbraw/zinc/35/16/80/414351680.db2.gz ZJQAAPPGOYGIRP-HZPDHXFCSA-N 2 2 299.459 0.486 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000660476523 414351686 /nfs/dbraw/zinc/35/16/86/414351686.db2.gz ZJQAAPPGOYGIRP-HZPDHXFCSA-N 2 2 299.459 0.486 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660476523 414351691 /nfs/dbraw/zinc/35/16/91/414351691.db2.gz ZJQAAPPGOYGIRP-HZPDHXFCSA-N 3 2 299.459 0.486 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660476523 414351699 /nfs/dbraw/zinc/35/16/99/414351699.db2.gz ZJQAAPPGOYGIRP-HZPDHXFCSA-N 3 2 299.459 0.486 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660476523 414351703 /nfs/dbraw/zinc/35/17/03/414351703.db2.gz ZJQAAPPGOYGIRP-HZPDHXFCSA-N 3 2 299.459 0.486 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660476523 414351711 /nfs/dbraw/zinc/35/17/11/414351711.db2.gz ZJQAAPPGOYGIRP-HZPDHXFCSA-N 3 2 299.459 0.486 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000660451135 414328403 /nfs/dbraw/zinc/32/84/03/414328403.db2.gz YNKAROROMZKMLA-GFCCVEGCSA-N 2 2 297.403 0.391 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000660451135 414328411 /nfs/dbraw/zinc/32/84/11/414328411.db2.gz YNKAROROMZKMLA-GFCCVEGCSA-N 2 2 297.403 0.391 20 0 CCADLP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@H]2COCCO2)CC1 ZINC000660696628 414445659 /nfs/dbraw/zinc/44/56/59/414445659.db2.gz SYMZUXZXBXRDII-AWEZNQCLSA-N 2 2 286.416 0.474 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+](C)[C@H](CO)Cc1ccccc1)C1CC1 ZINC000661091004 414554228 /nfs/dbraw/zinc/55/42/28/414554228.db2.gz DEYXIWWYEPMQEG-IRXDYDNUSA-N 2 2 292.423 0.977 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+](C)[C@H](CO)Cc1ccccc1)C1CC1 ZINC000661091004 414554230 /nfs/dbraw/zinc/55/42/30/414554230.db2.gz DEYXIWWYEPMQEG-IRXDYDNUSA-N 2 2 292.423 0.977 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@H](CO)Cc1ccccc1 ZINC000661091004 414554235 /nfs/dbraw/zinc/55/42/35/414554235.db2.gz DEYXIWWYEPMQEG-IRXDYDNUSA-N 2 2 292.423 0.977 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@H](CO)Cc1ccccc1 ZINC000661091004 414554238 /nfs/dbraw/zinc/55/42/38/414554238.db2.gz DEYXIWWYEPMQEG-IRXDYDNUSA-N 2 2 292.423 0.977 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@](O)(C2CC2)C1 ZINC000661633138 414658847 /nfs/dbraw/zinc/65/88/47/414658847.db2.gz UNJWHMLQFWZNTD-CABCVRRESA-N 2 2 286.416 0.162 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@](O)(C2CC2)C1 ZINC000661633138 414658849 /nfs/dbraw/zinc/65/88/49/414658849.db2.gz UNJWHMLQFWZNTD-CABCVRRESA-N 2 2 286.416 0.162 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000661633138 414658850 /nfs/dbraw/zinc/65/88/50/414658850.db2.gz UNJWHMLQFWZNTD-CABCVRRESA-N 2 2 286.416 0.162 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000661633138 414658852 /nfs/dbraw/zinc/65/88/52/414658852.db2.gz UNJWHMLQFWZNTD-CABCVRRESA-N 2 2 286.416 0.162 20 0 CCADLP CC[C@@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CC1 ZINC000661757343 414672318 /nfs/dbraw/zinc/67/23/18/414672318.db2.gz FUOPXNRLRKAKQV-CQSZACIVSA-N 2 2 297.443 0.992 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](CCF)C2)CC1 ZINC000661697611 414664858 /nfs/dbraw/zinc/66/48/58/414664858.db2.gz RDGRGAPGPSHRCG-ZDUSSCGKSA-N 2 2 271.380 0.832 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H]3COC[C@]3(C)C2)CC1 ZINC000661700744 414665275 /nfs/dbraw/zinc/66/52/75/414665275.db2.gz KKXLALZEENAFKM-LZWOXQAQSA-N 2 2 295.427 0.507 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H]3COC[C@]3(C)C2)CC1 ZINC000661700744 414665278 /nfs/dbraw/zinc/66/52/78/414665278.db2.gz KKXLALZEENAFKM-LZWOXQAQSA-N 2 2 295.427 0.507 20 0 CCADLP Cc1[nH+]c2n(c1C)CCN(C[C@H]1C[NH2+]CCO1)C2 ZINC000662260142 414701385 /nfs/dbraw/zinc/70/13/85/414701385.db2.gz IMDPRQAROBQASQ-GFCCVEGCSA-N 2 2 250.346 0.304 20 0 CCADLP CO[C@@H](C)c1noc(C[N@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662258537 414701520 /nfs/dbraw/zinc/70/15/20/414701520.db2.gz JRIPAKYHYRZWQM-WDEREUQCSA-N 2 2 296.371 0.730 20 0 CCADLP CO[C@@H](C)c1noc(C[N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662258537 414701521 /nfs/dbraw/zinc/70/15/21/414701521.db2.gz JRIPAKYHYRZWQM-WDEREUQCSA-N 2 2 296.371 0.730 20 0 CCADLP C([C@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000662261881 414702192 /nfs/dbraw/zinc/70/21/92/414702192.db2.gz CBDNKKJJDBJNFR-HUUCEWRRSA-N 3 2 295.427 0.162 20 0 CCADLP C([C@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000662261881 414702193 /nfs/dbraw/zinc/70/21/93/414702193.db2.gz CBDNKKJJDBJNFR-HUUCEWRRSA-N 3 2 295.427 0.162 20 0 CCADLP C[N@H+](CC(=O)NC(=O)NC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746902 174392344 /nfs/dbraw/zinc/39/23/44/174392344.db2.gz NBOYDZLQCQMWNW-FOSCPWQOSA-N 2 2 296.415 0.826 20 0 CCADLP C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746902 174392345 /nfs/dbraw/zinc/39/23/45/174392345.db2.gz NBOYDZLQCQMWNW-FOSCPWQOSA-N 2 2 296.415 0.826 20 0 CCADLP O=C1CCCCN1C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662280192 414705231 /nfs/dbraw/zinc/70/52/31/414705231.db2.gz YNDJRLOXNIPGNM-CQSZACIVSA-N 2 2 281.400 0.452 20 0 CCADLP COCC[NH2+]C1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662285714 414706338 /nfs/dbraw/zinc/70/63/38/414706338.db2.gz MKHQJBDMRMGSMT-CQSZACIVSA-N 3 2 283.416 0.208 20 0 CCADLP CCc1nnc([C@@H](C)[NH+]2CCC(O)(C[NH3+])CC2)[nH]1 ZINC000662283776 414706352 /nfs/dbraw/zinc/70/63/52/414706352.db2.gz PVPSOHUVJCPVQX-SECBINFHSA-N 2 2 253.350 0.214 20 0 CCADLP CC(C)(C)CCNC(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662287035 414706881 /nfs/dbraw/zinc/70/68/81/414706881.db2.gz QKDOQBRGYLTZRR-UHFFFAOYSA-N 2 2 271.405 0.243 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295929 414707360 /nfs/dbraw/zinc/70/73/60/414707360.db2.gz WXGXQUXPWOTRSQ-HUUCEWRRSA-N 3 2 267.417 0.686 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295929 414707361 /nfs/dbraw/zinc/70/73/61/414707361.db2.gz WXGXQUXPWOTRSQ-HUUCEWRRSA-N 3 2 267.417 0.686 20 0 CCADLP C[N@H+](CCc1nnn(C(C)(C)C)n1)CC(C)(C)[NH3+] ZINC000662294760 414707624 /nfs/dbraw/zinc/70/76/24/414707624.db2.gz MQSHTBNOCAKZFL-UHFFFAOYSA-N 2 2 254.382 0.640 20 0 CCADLP C[N@@H+](CCc1nnn(C(C)(C)C)n1)CC(C)(C)[NH3+] ZINC000662294760 414707625 /nfs/dbraw/zinc/70/76/25/414707625.db2.gz MQSHTBNOCAKZFL-UHFFFAOYSA-N 2 2 254.382 0.640 20 0 CCADLP CCCNC(=O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662314679 414708570 /nfs/dbraw/zinc/70/85/70/414708570.db2.gz AOAVFQVWHOFBPF-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP CCCNC(=O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662314679 414708571 /nfs/dbraw/zinc/70/85/71/414708571.db2.gz AOAVFQVWHOFBPF-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP O=C1CCCN1C[C@@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000662053118 414688632 /nfs/dbraw/zinc/68/86/32/414688632.db2.gz SFWAXLNPYWVQIG-CYBMUJFWSA-N 2 2 262.357 0.827 20 0 CCADLP O=C1CCCN1C[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000662053118 414688633 /nfs/dbraw/zinc/68/86/33/414688633.db2.gz SFWAXLNPYWVQIG-CYBMUJFWSA-N 2 2 262.357 0.827 20 0 CCADLP CC(C)OC[C@H]([NH3+])C(=O)NCCCn1cc[nH+]c1 ZINC000662347158 414711134 /nfs/dbraw/zinc/71/11/34/414711134.db2.gz CNNSBUYVNHTWEK-NSHDSACASA-N 2 2 254.334 0.142 20 0 CCADLP C[C@@H](CN1CCOCC1)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662153198 414694547 /nfs/dbraw/zinc/69/45/47/414694547.db2.gz PKQUQTBZHDXWNV-GOEBONIOSA-N 2 2 297.443 0.238 20 0 CCADLP C[C@@H](CN1CCOCC1)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662153198 414694548 /nfs/dbraw/zinc/69/45/48/414694548.db2.gz PKQUQTBZHDXWNV-GOEBONIOSA-N 2 2 297.443 0.238 20 0 CCADLP [NH3+]CC(F)(F)CNC(=O)[C@H]([NH3+])c1ccc(F)cc1F ZINC000662766261 414775032 /nfs/dbraw/zinc/77/50/32/414775032.db2.gz HSROPHRPSJOXNZ-SECBINFHSA-N 2 2 279.237 0.675 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)N3CCO[C@H]([C@@H](C)[NH3+])C3)ccn12 ZINC000662431886 414717923 /nfs/dbraw/zinc/71/79/23/414717923.db2.gz MZCRWSRISONZIN-YPMHNXCESA-N 2 2 288.351 0.831 20 0 CCADLP Cc1ccncc1CCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000662627830 414734445 /nfs/dbraw/zinc/73/44/45/414734445.db2.gz HWHDBKJDWXUBPM-CYBMUJFWSA-N 2 2 264.373 0.328 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000662630185 414735009 /nfs/dbraw/zinc/73/50/09/414735009.db2.gz JVKFYTHFRZGSLO-BZPMIXESSA-N 2 2 271.405 0.729 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000662630185 414735010 /nfs/dbraw/zinc/73/50/10/414735010.db2.gz JVKFYTHFRZGSLO-BZPMIXESSA-N 2 2 271.405 0.729 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662655571 414737577 /nfs/dbraw/zinc/73/75/77/414737577.db2.gz JRTJQBARRWMVGF-RWMBFGLXSA-N 2 2 267.373 0.047 20 0 CCADLP CC(C)C[C@H](C[NH3+])CC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000662701370 414743406 /nfs/dbraw/zinc/74/34/06/414743406.db2.gz OXVKFRJSQLUORF-KBPBESRZSA-N 2 2 285.432 0.834 20 0 CCADLP CC(C)C[C@H](C[NH3+])CC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000662701370 414743407 /nfs/dbraw/zinc/74/34/07/414743407.db2.gz OXVKFRJSQLUORF-KBPBESRZSA-N 2 2 285.432 0.834 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1C(C)(C)C1(F)F ZINC000662705694 414743966 /nfs/dbraw/zinc/74/39/66/414743966.db2.gz QQMXORNFBWTCKB-RKDXNWHRSA-N 2 2 263.332 0.673 20 0 CCADLP CC(C)NC(=O)[C@H]1CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000662732803 414748526 /nfs/dbraw/zinc/74/85/26/414748526.db2.gz ABRWAOXXCCWNSM-STQMWFEESA-N 2 2 298.431 0.029 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3C[NH2+]CCO3)ccn12 ZINC000662813535 414812770 /nfs/dbraw/zinc/81/27/70/414812770.db2.gz KERRAXZOCNSPSY-LBPRGKRZSA-N 2 2 274.324 0.361 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)C1([NH3+])Cc2ccccc2C1 ZINC000662839113 414832691 /nfs/dbraw/zinc/83/26/91/414832691.db2.gz MYYRRJQEQYLMOS-UHFFFAOYSA-N 2 2 270.336 0.864 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)C1([NH3+])Cc2ccccc2C1 ZINC000662839113 414832697 /nfs/dbraw/zinc/83/26/97/414832697.db2.gz MYYRRJQEQYLMOS-UHFFFAOYSA-N 2 2 270.336 0.864 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CCC[NH2+]CC2)[C@@H](C)CO1 ZINC000662861210 414851320 /nfs/dbraw/zinc/85/13/20/414851320.db2.gz YETCXSJXCDNLJZ-MJBXVCDLSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CCC[NH2+]CC2)[C@@H](C)CO1 ZINC000662861210 414851324 /nfs/dbraw/zinc/85/13/24/414851324.db2.gz YETCXSJXCDNLJZ-MJBXVCDLSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662952669 414914248 /nfs/dbraw/zinc/91/42/48/414914248.db2.gz WYUJMNFZLHFQLV-PWSUYJOCSA-N 2 2 293.371 0.096 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000662952669 414914253 /nfs/dbraw/zinc/91/42/53/414914253.db2.gz WYUJMNFZLHFQLV-PWSUYJOCSA-N 2 2 293.371 0.096 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000662901083 414879842 /nfs/dbraw/zinc/87/98/42/414879842.db2.gz CSDIORWSVFTFLP-SMDDNHRTSA-N 2 2 280.372 0.706 20 0 CCADLP C[C@H]([NH3+])CCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900688 414880362 /nfs/dbraw/zinc/88/03/62/414880362.db2.gz ODLSOZKBVHMFDA-DZGCQCFKSA-N 3 2 296.459 0.741 20 0 CCADLP C[C@H]([NH3+])CCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900688 414880366 /nfs/dbraw/zinc/88/03/66/414880366.db2.gz ODLSOZKBVHMFDA-DZGCQCFKSA-N 3 2 296.459 0.741 20 0 CCADLP CC1(C(=O)N(CC[NH+]2CCOCC2)CC2CC2)C[NH2+]C1 ZINC000662911428 414887543 /nfs/dbraw/zinc/88/75/43/414887543.db2.gz SZIYZQVOGYMSNO-UHFFFAOYSA-N 2 2 281.400 0.167 20 0 CCADLP COc1c(N)[nH+]cnc1N1CCC[C@@H](CC[NH3+])C1 ZINC000663239476 415025216 /nfs/dbraw/zinc/02/52/16/415025216.db2.gz MPBQBILRSLWOBB-VIFPVBQESA-N 2 2 251.334 0.633 20 0 CCADLP COc1c(N)nc[nH+]c1N1CCC[C@@H](CC[NH3+])C1 ZINC000663239476 415025218 /nfs/dbraw/zinc/02/52/18/415025218.db2.gz MPBQBILRSLWOBB-VIFPVBQESA-N 2 2 251.334 0.633 20 0 CCADLP CCN(C(=O)N[C@H](C)C[NH+]1CCOCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000663637916 415100605 /nfs/dbraw/zinc/10/06/05/415100605.db2.gz FOSWWIXBQNMCTQ-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP C[NH2+]CCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000043605956 175078805 /nfs/dbraw/zinc/07/88/05/175078805.db2.gz RNOCJPZXKCMYKX-UHFFFAOYSA-N 2 2 291.395 0.745 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNc1nc(C(N)=O)cs1 ZINC000664244334 415297813 /nfs/dbraw/zinc/29/78/13/415297813.db2.gz GPONXNIBBNRHHZ-UHFFFAOYSA-N 2 2 285.417 0.537 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNc1nc(C(N)=O)cs1 ZINC000664244334 415297818 /nfs/dbraw/zinc/29/78/18/415297818.db2.gz GPONXNIBBNRHHZ-UHFFFAOYSA-N 2 2 285.417 0.537 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664895789 415486108 /nfs/dbraw/zinc/48/61/08/415486108.db2.gz ILTTYKJBPXNEDT-ZDUSSCGKSA-N 3 2 287.452 0.119 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664895789 415486116 /nfs/dbraw/zinc/48/61/16/415486116.db2.gz ILTTYKJBPXNEDT-ZDUSSCGKSA-N 3 2 287.452 0.119 20 0 CCADLP C[C@H](CCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1)[NH+](C)C ZINC000664713935 415452743 /nfs/dbraw/zinc/45/27/43/415452743.db2.gz CYRDVRDIPWTFSF-VXGBXAGGSA-N 2 2 279.388 0.837 20 0 CCADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000665275453 415583992 /nfs/dbraw/zinc/58/39/92/415583992.db2.gz LAWBSPKVNJASTL-GUTXKFCHSA-N 3 2 267.417 0.827 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NCc2cccc(OC)c2)C1 ZINC000071145704 176041762 /nfs/dbraw/zinc/04/17/62/176041762.db2.gz PFTAQFYIXADGSZ-CQSZACIVSA-N 2 2 291.395 0.853 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NCc2cccc(OC)c2)C1 ZINC000071145704 176041763 /nfs/dbraw/zinc/04/17/63/176041763.db2.gz PFTAQFYIXADGSZ-CQSZACIVSA-N 2 2 291.395 0.853 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NCc2ccccc2)C1 ZINC000071147703 176044030 /nfs/dbraw/zinc/04/40/30/176044030.db2.gz JHKJNOKOSBGRQJ-CQSZACIVSA-N 2 2 261.369 0.844 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2)C1 ZINC000071147703 176044031 /nfs/dbraw/zinc/04/40/31/176044031.db2.gz JHKJNOKOSBGRQJ-CQSZACIVSA-N 2 2 261.369 0.844 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccccc2F)CC1 ZINC000020053164 544418824 /nfs/dbraw/zinc/41/88/24/544418824.db2.gz SLTYYRVTNCNSMS-UHFFFAOYSA-N 2 2 265.332 0.689 20 0 CCADLP C[C@@H]1CCC[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1 ZINC000037255350 544422476 /nfs/dbraw/zinc/42/24/76/544422476.db2.gz MHQRSCILMNLETK-CHWSQXEVSA-N 2 2 253.390 0.929 20 0 CCADLP CC(C)[NH2+]CC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000037802792 544423597 /nfs/dbraw/zinc/42/35/97/544423597.db2.gz LJYRELNXYPHGHR-UHFFFAOYSA-N 2 2 276.384 0.724 20 0 CCADLP CC(C)[NH2+]CC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000037799563 544424308 /nfs/dbraw/zinc/42/43/08/544424308.db2.gz RFSJLRVZFUKSKB-CYBMUJFWSA-N 2 2 269.389 0.308 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]C2(CO)CCCCC2)CC1 ZINC000053097448 544440445 /nfs/dbraw/zinc/44/04/45/544440445.db2.gz NMBBOPMALOJWHL-UHFFFAOYSA-N 2 2 269.389 0.045 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000070174689 544450056 /nfs/dbraw/zinc/45/00/56/544450056.db2.gz RONCFKOHCRIETN-XQQFMLRXSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000070174689 544450059 /nfs/dbraw/zinc/45/00/59/544450059.db2.gz RONCFKOHCRIETN-XQQFMLRXSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@]1(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CCC[NH2+]1 ZINC000079516479 544473891 /nfs/dbraw/zinc/47/38/91/544473891.db2.gz AXEYVYXNFICEHX-HIFRSBDPSA-N 2 2 281.400 0.452 20 0 CCADLP COCC[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000092495750 544534707 /nfs/dbraw/zinc/53/47/07/544534707.db2.gz QLJVRVSQOIRITB-UHFFFAOYSA-N 2 2 297.424 0.628 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCCCO ZINC000092173007 544530941 /nfs/dbraw/zinc/53/09/41/544530941.db2.gz PFDFNFKDLXKKAQ-UHFFFAOYSA-N 2 2 285.432 0.633 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCCCO ZINC000092173007 544530946 /nfs/dbraw/zinc/53/09/46/544530946.db2.gz PFDFNFKDLXKKAQ-UHFFFAOYSA-N 2 2 285.432 0.633 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111244111 544560748 /nfs/dbraw/zinc/56/07/48/544560748.db2.gz ZFACDEXFOWSTEV-ONGXEEELSA-N 2 2 290.289 0.930 20 0 CCADLP Cc1nc(NC[C@]2([NH+](C)C)CCSC2)nc(N)[nH+]1 ZINC000631146691 419469695 /nfs/dbraw/zinc/46/96/95/419469695.db2.gz IRETVNLGOWAGGJ-LLVKDONJSA-N 2 2 268.390 0.033 20 0 CCADLP C[C@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000134976338 544634143 /nfs/dbraw/zinc/63/41/43/544634143.db2.gz CRNXRSGUDYGGNC-UONOGXRCSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000134976338 544634146 /nfs/dbraw/zinc/63/41/46/544634146.db2.gz CRNXRSGUDYGGNC-UONOGXRCSA-N 2 2 283.416 0.554 20 0 CCADLP COc1ccccc1NCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000162306062 544712539 /nfs/dbraw/zinc/71/25/39/544712539.db2.gz DGUZDJNQSISWLP-LBPRGKRZSA-N 2 2 292.383 0.208 20 0 CCADLP C[NH+](C)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000276468574 544954330 /nfs/dbraw/zinc/95/43/30/544954330.db2.gz QBVBRPIGMBDLAV-GFCCVEGCSA-N 2 2 250.346 0.895 20 0 CCADLP C[NH+](C)[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000276468574 544954332 /nfs/dbraw/zinc/95/43/32/544954332.db2.gz QBVBRPIGMBDLAV-GFCCVEGCSA-N 2 2 250.346 0.895 20 0 CCADLP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NC[C@H]1CCCO1 ZINC000252417376 544929809 /nfs/dbraw/zinc/92/98/09/544929809.db2.gz RJLUPNYGZHMXNS-RRFJBIMHSA-N 2 2 295.427 0.746 20 0 CCADLP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NC[C@H]1CCCO1 ZINC000252417376 544929814 /nfs/dbraw/zinc/92/98/14/544929814.db2.gz RJLUPNYGZHMXNS-RRFJBIMHSA-N 2 2 295.427 0.746 20 0 CCADLP C[NH+]1CCN(C(=O)[C@H]([NH3+])c2ccc(F)cc2F)CC1 ZINC000257701984 544935335 /nfs/dbraw/zinc/93/53/35/544935335.db2.gz OUIWCLKLSGBTMK-GFCCVEGCSA-N 2 2 269.295 0.739 20 0 CCADLP Cc1cc(N2CC[NH+](C(C)(C)C(N)=O)CC2)nc(C)[nH+]1 ZINC000267480563 544945290 /nfs/dbraw/zinc/94/52/90/544945290.db2.gz CEPZJBQBGVKICF-UHFFFAOYSA-N 2 2 277.372 0.479 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CCCCS1(=O)=O ZINC000333315485 287629539 /nfs/dbraw/zinc/62/95/39/287629539.db2.gz SRJHKOASBQJKKL-IJLUTSLNSA-N 2 2 260.403 0.541 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)CCc2c[nH+]c[nH]2)C[C@H](C)O1 ZINC000280834313 544959338 /nfs/dbraw/zinc/95/93/38/544959338.db2.gz SRZDVAVBJLLSGO-BETUJISGSA-N 2 2 294.399 0.910 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)CCc2c[nH+]c[nH]2)C[C@H](C)O1 ZINC000280834313 544959343 /nfs/dbraw/zinc/95/93/43/544959343.db2.gz SRZDVAVBJLLSGO-BETUJISGSA-N 2 2 294.399 0.910 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)CCc2c[nH]c[nH+]2)C[C@H](C)O1 ZINC000280834313 544959346 /nfs/dbraw/zinc/95/93/46/544959346.db2.gz SRZDVAVBJLLSGO-BETUJISGSA-N 2 2 294.399 0.910 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)CCc2c[nH]c[nH+]2)C[C@H](C)O1 ZINC000280834313 544959350 /nfs/dbraw/zinc/95/93/50/544959350.db2.gz SRZDVAVBJLLSGO-BETUJISGSA-N 2 2 294.399 0.910 20 0 CCADLP C[C@@H]1CCC[N@H+](CCNC(=O)NCc2c[nH+]cn2C)C1 ZINC000290714561 544969913 /nfs/dbraw/zinc/96/99/13/544969913.db2.gz OTWFSJXGXAZPGS-GFCCVEGCSA-N 2 2 279.388 0.951 20 0 CCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)NCc2c[nH+]cn2C)C1 ZINC000290714561 544969920 /nfs/dbraw/zinc/96/99/20/544969920.db2.gz OTWFSJXGXAZPGS-GFCCVEGCSA-N 2 2 279.388 0.951 20 0 CCADLP [NH3+][C@H]1CCC[C@@H](NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000333624719 545041145 /nfs/dbraw/zinc/04/11/45/545041145.db2.gz FRRCKIHVBFGUBO-RFQIPJPRSA-N 2 2 296.415 0.419 20 0 CCADLP [NH3+][C@H]1CCC[C@@H](NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000333624719 545041147 /nfs/dbraw/zinc/04/11/47/545041147.db2.gz FRRCKIHVBFGUBO-RFQIPJPRSA-N 2 2 296.415 0.419 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCCC[NH+]1CCOCC1 ZINC000352136028 545069518 /nfs/dbraw/zinc/06/95/18/545069518.db2.gz TUMMJITZLODSFG-UHFFFAOYSA-N 2 2 266.345 0.181 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCCC[NH+]1CCOCC1 ZINC000352136028 545069520 /nfs/dbraw/zinc/06/95/20/545069520.db2.gz TUMMJITZLODSFG-UHFFFAOYSA-N 2 2 266.345 0.181 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)[C@@H](C)C[N@@H+]1C ZINC000335721566 545049328 /nfs/dbraw/zinc/04/93/28/545049328.db2.gz XRXQTRBEXJTPOJ-MNOVXSKESA-N 2 2 250.346 0.893 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)[C@@H](C)C[N@H+]1C ZINC000335721566 545049329 /nfs/dbraw/zinc/04/93/29/545049329.db2.gz XRXQTRBEXJTPOJ-MNOVXSKESA-N 2 2 250.346 0.893 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)[C@@H](C)C[N@@H+]1C ZINC000335721566 545049330 /nfs/dbraw/zinc/04/93/30/545049330.db2.gz XRXQTRBEXJTPOJ-MNOVXSKESA-N 2 2 250.346 0.893 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)[C@@H](C)C[N@H+]1C ZINC000335721566 545049331 /nfs/dbraw/zinc/04/93/31/545049331.db2.gz XRXQTRBEXJTPOJ-MNOVXSKESA-N 2 2 250.346 0.893 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCN1CC=CCC1 ZINC000392289494 269763184 /nfs/dbraw/zinc/76/31/84/269763184.db2.gz INBSQCXVSIFDNI-KBPBESRZSA-N 2 2 253.390 0.605 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)NCC[N@H+]1CC=CCC1 ZINC000392289494 269763185 /nfs/dbraw/zinc/76/31/85/269763185.db2.gz INBSQCXVSIFDNI-KBPBESRZSA-N 2 2 253.390 0.605 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)NCC[N@@H+]1CC=CCC1 ZINC000392289494 269763186 /nfs/dbraw/zinc/76/31/86/269763186.db2.gz INBSQCXVSIFDNI-KBPBESRZSA-N 2 2 253.390 0.605 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@H](O)CC1CCCC1 ZINC000300073021 260211089 /nfs/dbraw/zinc/21/10/89/260211089.db2.gz ZCEHKUKRQRGVHC-LSDHHAIUSA-N 2 2 269.433 0.763 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@H](O)CC1CCCC1 ZINC000300073021 260211090 /nfs/dbraw/zinc/21/10/90/260211090.db2.gz ZCEHKUKRQRGVHC-LSDHHAIUSA-N 2 2 269.433 0.763 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@@H](O)CC1CCCC1 ZINC000300073019 260211144 /nfs/dbraw/zinc/21/11/44/260211144.db2.gz ZCEHKUKRQRGVHC-CABCVRRESA-N 2 2 269.433 0.763 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@@H](O)CC1CCCC1 ZINC000300073019 260211145 /nfs/dbraw/zinc/21/11/45/260211145.db2.gz ZCEHKUKRQRGVHC-CABCVRRESA-N 2 2 269.433 0.763 20 0 CCADLP C[C@@H]([NH3+])CN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000521880983 260222912 /nfs/dbraw/zinc/22/29/12/260222912.db2.gz MLSJLSYLQVBZEM-CYBMUJFWSA-N 2 2 291.395 0.923 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528749356 269848342 /nfs/dbraw/zinc/84/83/42/269848342.db2.gz CCIBOAMYHMINNY-OKILXGFUSA-N 2 2 267.373 0.504 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528749356 269848343 /nfs/dbraw/zinc/84/83/43/269848343.db2.gz CCIBOAMYHMINNY-OKILXGFUSA-N 2 2 267.373 0.504 20 0 CCADLP [NH3+][C@H]1C[C@@H](C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000519160209 265347033 /nfs/dbraw/zinc/34/70/33/265347033.db2.gz GMFXQMWLBAEDOW-HZSPNIEDSA-N 2 2 281.400 0.437 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cnn(CC(F)(F)F)c2)C1 ZINC000358166937 545079634 /nfs/dbraw/zinc/07/96/34/545079634.db2.gz PLVDVKZZODDFKL-LLVKDONJSA-N 2 2 292.305 0.602 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cnn(CC(F)(F)F)c2)C1 ZINC000358166937 545079636 /nfs/dbraw/zinc/07/96/36/545079636.db2.gz PLVDVKZZODDFKL-LLVKDONJSA-N 2 2 292.305 0.602 20 0 CCADLP COc1c(C)c[nH+]c(C[N@H+](CCO)C[C@H](C)O)c1C ZINC000289362139 274087888 /nfs/dbraw/zinc/08/78/88/274087888.db2.gz AIXSBYLEWXYMDC-NSHDSACASA-N 2 2 268.357 0.882 20 0 CCADLP COc1c(C)c[nH+]c(C[N@@H+](CCO)C[C@H](C)O)c1C ZINC000289362139 274087890 /nfs/dbraw/zinc/08/78/90/274087890.db2.gz AIXSBYLEWXYMDC-NSHDSACASA-N 2 2 268.357 0.882 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000423924456 276005856 /nfs/dbraw/zinc/00/58/56/276005856.db2.gz ABDSIIRKGWXNFV-XQLPTFJDSA-N 2 2 295.427 0.552 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000423924456 276005858 /nfs/dbraw/zinc/00/58/58/276005858.db2.gz ABDSIIRKGWXNFV-XQLPTFJDSA-N 2 2 295.427 0.552 20 0 CCADLP CC1(C)CN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC[NH2+]1 ZINC000333598592 276124174 /nfs/dbraw/zinc/12/41/74/276124174.db2.gz BSJVYVRYNSJFEJ-JTQLQIEISA-N 2 2 277.372 0.660 20 0 CCADLP CC1(C)CN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC[NH2+]1 ZINC000333598592 276124176 /nfs/dbraw/zinc/12/41/76/276124176.db2.gz BSJVYVRYNSJFEJ-JTQLQIEISA-N 2 2 277.372 0.660 20 0 CCADLP CCC[C@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976841 276285344 /nfs/dbraw/zinc/28/53/44/276285344.db2.gz GXGQFLZDKKTNLK-RYUDHWBXSA-N 2 2 255.362 0.047 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN2CCOC[C@H]2C1 ZINC000348778410 277078469 /nfs/dbraw/zinc/07/84/69/277078469.db2.gz XREDFUONBSRJHJ-UONOGXRCSA-N 2 2 253.390 0.487 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN2CCOC[C@H]2C1 ZINC000348778410 277078470 /nfs/dbraw/zinc/07/84/70/277078470.db2.gz XREDFUONBSRJHJ-UONOGXRCSA-N 2 2 253.390 0.487 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000348778410 277078471 /nfs/dbraw/zinc/07/84/71/277078471.db2.gz XREDFUONBSRJHJ-UONOGXRCSA-N 2 2 253.390 0.487 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCN2CCOC[C@H]2C1 ZINC000348778410 277078472 /nfs/dbraw/zinc/07/84/72/277078472.db2.gz XREDFUONBSRJHJ-UONOGXRCSA-N 2 2 253.390 0.487 20 0 CCADLP C[N@@H+]1CCN(C(=O)Nc2ccc(Cl)cn2)[C@H](C[NH3+])C1 ZINC000515615813 277092827 /nfs/dbraw/zinc/09/28/27/277092827.db2.gz UUODGTDLZGTJCU-SNVBAGLBSA-N 2 2 283.763 0.842 20 0 CCADLP C[N@H+]1CCN(C(=O)Nc2ccc(Cl)cn2)[C@H](C[NH3+])C1 ZINC000515615813 277092829 /nfs/dbraw/zinc/09/28/29/277092829.db2.gz UUODGTDLZGTJCU-SNVBAGLBSA-N 2 2 283.763 0.842 20 0 CCADLP C[N@@H+]1CCc2nc(NC(=O)[C@@H]3CCC[NH2+]3)sc2C1 ZINC000082258008 277188472 /nfs/dbraw/zinc/18/84/72/277188472.db2.gz INFGRFYFWDUXBK-VIFPVBQESA-N 2 2 266.370 0.822 20 0 CCADLP C[N@H+]1CCc2nc(NC(=O)[C@@H]3CCC[NH2+]3)sc2C1 ZINC000082258008 277188474 /nfs/dbraw/zinc/18/84/74/277188474.db2.gz INFGRFYFWDUXBK-VIFPVBQESA-N 2 2 266.370 0.822 20 0 CCADLP COCC[NH+](CCOC)C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000353027178 277216778 /nfs/dbraw/zinc/21/67/78/277216778.db2.gz MHYKIGFKQUDGLG-HNNXBMFYSA-N 2 2 286.416 0.835 20 0 CCADLP COCCOCC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000079434356 277231564 /nfs/dbraw/zinc/23/15/64/277231564.db2.gz WRISOPHHCZSICA-HNNXBMFYSA-N 2 2 286.416 0.694 20 0 CCADLP COCCOCC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000079434356 277231566 /nfs/dbraw/zinc/23/15/66/277231566.db2.gz WRISOPHHCZSICA-HNNXBMFYSA-N 2 2 286.416 0.694 20 0 CCADLP COCC[C@@H](C)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362835970 277234948 /nfs/dbraw/zinc/23/49/48/277234948.db2.gz CETANDNHSUNEFZ-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP COCC[C@@H](C)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362835970 277234950 /nfs/dbraw/zinc/23/49/50/277234950.db2.gz CETANDNHSUNEFZ-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(Cc2[nH+]ccn2C)[C@@H](C)C1 ZINC000105911601 277318269 /nfs/dbraw/zinc/31/82/69/277318269.db2.gz ISHDZITVHXEAIM-LBPRGKRZSA-N 2 2 280.372 0.489 20 0 CCADLP COC(=O)CC[N@H+]1CCN(Cc2[nH+]ccn2C)[C@@H](C)C1 ZINC000105911601 277318271 /nfs/dbraw/zinc/31/82/71/277318271.db2.gz ISHDZITVHXEAIM-LBPRGKRZSA-N 2 2 280.372 0.489 20 0 CCADLP COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000275533512 277373241 /nfs/dbraw/zinc/37/32/41/277373241.db2.gz KQHGJNFODBYNKW-STQMWFEESA-N 2 2 281.356 0.580 20 0 CCADLP COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1CCCn1cc[nH+]c1C ZINC000275533512 277373242 /nfs/dbraw/zinc/37/32/42/277373242.db2.gz KQHGJNFODBYNKW-STQMWFEESA-N 2 2 281.356 0.580 20 0 CCADLP COC(=O)[C@H]1CCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420365898 277389651 /nfs/dbraw/zinc/38/96/51/277389651.db2.gz SXWRIXAAMWHBJJ-ZNMIVQPWSA-N 2 2 292.379 0.555 20 0 CCADLP COC(=O)[C@H]1CCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420365898 277389652 /nfs/dbraw/zinc/38/96/52/277389652.db2.gz SXWRIXAAMWHBJJ-ZNMIVQPWSA-N 2 2 292.379 0.555 20 0 CCADLP CC(C)[NH+]1CCC(N2CC[NH+]([C@H]3CCNC3=O)CC2)CC1 ZINC000336841640 277583302 /nfs/dbraw/zinc/58/33/02/277583302.db2.gz PCOSAZLKTWVJJK-HNNXBMFYSA-N 2 2 294.443 0.365 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC000347016102 278264962 /nfs/dbraw/zinc/26/49/62/278264962.db2.gz DECGAFVSRXWOLJ-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420295813 278317792 /nfs/dbraw/zinc/31/77/92/278317792.db2.gz WCGBGNRBOHEEBC-IWCQGFGOSA-N 3 2 291.439 0.977 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420295813 278317794 /nfs/dbraw/zinc/31/77/94/278317794.db2.gz WCGBGNRBOHEEBC-IWCQGFGOSA-N 3 2 291.439 0.977 20 0 CCADLP C[C@@H]([NH2+]CC[NH3+])[C@@H](c1ccccc1)N1CCOCC1 ZINC000423189207 278346781 /nfs/dbraw/zinc/34/67/81/278346781.db2.gz QNJXGGMXNUMOQO-HIFRSBDPSA-N 2 2 263.385 0.997 20 0 CCADLP CC(C)(C)NC(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334980273 278358248 /nfs/dbraw/zinc/35/82/48/278358248.db2.gz LUKTXGUNPCWEHZ-AWEZNQCLSA-N 2 2 253.390 0.977 20 0 CCADLP CC(C)(C)NC(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334980273 278358249 /nfs/dbraw/zinc/35/82/49/278358249.db2.gz LUKTXGUNPCWEHZ-AWEZNQCLSA-N 2 2 253.390 0.977 20 0 CCADLP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000414657965 278369489 /nfs/dbraw/zinc/36/94/89/278369489.db2.gz PMFKKNDFWAMQRM-CQSZACIVSA-N 3 2 296.459 0.518 20 0 CCADLP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000414657965 278369491 /nfs/dbraw/zinc/36/94/91/278369491.db2.gz PMFKKNDFWAMQRM-CQSZACIVSA-N 3 2 296.459 0.518 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000417003225 278563575 /nfs/dbraw/zinc/56/35/75/278563575.db2.gz BHCAACWPCKYVIZ-YPMHNXCESA-N 2 2 291.399 0.945 20 0 CCADLP CC(C)(CNC(=O)[C@@H]1[NH2+]CCCC1(C)C)[NH+]1CCOCC1 ZINC000232929141 278619315 /nfs/dbraw/zinc/61/93/15/278619315.db2.gz HDVHJZQSYNTPGA-ZDUSSCGKSA-N 2 2 297.443 0.992 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@@H](C)[NH+]1C ZINC000358711109 278677947 /nfs/dbraw/zinc/67/79/47/278677947.db2.gz QEOMKGXBVWIFGI-UPJWGTAASA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000451223455 288098218 /nfs/dbraw/zinc/09/82/18/288098218.db2.gz STDGGGMCWFCRQN-YIYPIFLZSA-N 2 2 253.390 0.389 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000451223455 288098221 /nfs/dbraw/zinc/09/82/21/288098221.db2.gz STDGGGMCWFCRQN-YIYPIFLZSA-N 2 2 253.390 0.389 20 0 CCADLP Cc1nc(N2CC[C@@H](OCC[NH+](C)C)C2)nc(N(C)C)[nH+]1 ZINC000339680200 279088151 /nfs/dbraw/zinc/08/81/51/279088151.db2.gz BEZJQJIXAZBJKV-GFCCVEGCSA-N 2 2 294.403 0.403 20 0 CCADLP Cc1nc(N(C)C)nc(N2CC[C@@H](OCC[NH+](C)C)C2)[nH+]1 ZINC000339680200 279088153 /nfs/dbraw/zinc/08/81/53/279088153.db2.gz BEZJQJIXAZBJKV-GFCCVEGCSA-N 2 2 294.403 0.403 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)NC)C1 ZINC000246818954 279125352 /nfs/dbraw/zinc/12/53/52/279125352.db2.gz AGDMKVFIKJYGOV-NEPJUHHUSA-N 2 2 284.404 0.494 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)NC)C1 ZINC000246818954 279125354 /nfs/dbraw/zinc/12/53/54/279125354.db2.gz AGDMKVFIKJYGOV-NEPJUHHUSA-N 2 2 284.404 0.494 20 0 CCADLP Cn1cc(N2CCC[C@H]([NH+]3CCC([NH3+])CC3)C2=O)cn1 ZINC000430600341 279339899 /nfs/dbraw/zinc/33/98/99/279339899.db2.gz HOOUXXHXJMFPCL-ZDUSSCGKSA-N 2 2 277.372 0.339 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)N2CCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343927764 288137887 /nfs/dbraw/zinc/13/78/87/288137887.db2.gz SYDBLPCDMSZWGV-HUUCEWRRSA-N 2 2 294.443 0.177 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343927764 288137889 /nfs/dbraw/zinc/13/78/89/288137889.db2.gz SYDBLPCDMSZWGV-HUUCEWRRSA-N 2 2 294.443 0.177 20 0 CCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C1CC[NH+](C)CC1 ZINC000342277487 279952961 /nfs/dbraw/zinc/95/29/61/279952961.db2.gz DNWCYTYFDXAWBF-DZGCQCFKSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)C[N@@H+]1C1CC1 ZINC000346701850 280009746 /nfs/dbraw/zinc/00/97/46/280009746.db2.gz SUMCEWQGQGOOPY-STQMWFEESA-N 3 2 267.417 0.658 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)C[N@H+]1C1CC1 ZINC000346701850 280009748 /nfs/dbraw/zinc/00/97/48/280009748.db2.gz SUMCEWQGQGOOPY-STQMWFEESA-N 3 2 267.417 0.658 20 0 CCADLP O=C([C@@H]1CCC[NH2+]1)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000182106368 280084749 /nfs/dbraw/zinc/08/47/49/280084749.db2.gz QMBUSCBYVHGWSE-ZDUSSCGKSA-N 2 2 294.424 0.929 20 0 CCADLP O=C([C@@H]1CCC[NH2+]1)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000182106368 280084753 /nfs/dbraw/zinc/08/47/53/280084753.db2.gz QMBUSCBYVHGWSE-ZDUSSCGKSA-N 2 2 294.424 0.929 20 0 CCADLP O=C([C@@H]1COCC[NH2+]1)N1CC[NH+](C2CCCC2)CC1 ZINC000088372212 280104646 /nfs/dbraw/zinc/10/46/46/280104646.db2.gz XEUZQYCMHBEXIS-ZDUSSCGKSA-N 2 2 267.373 0.062 20 0 CCADLP CC[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422865947 280196233 /nfs/dbraw/zinc/19/62/33/280196233.db2.gz ZMHHMDOZCWECOH-KFWWJZLASA-N 3 2 268.449 0.743 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000346519087 280251810 /nfs/dbraw/zinc/25/18/10/280251810.db2.gz AHQRRURMIZCSSK-KGLIPLIRSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+]1CCOCC1 ZINC000346519087 280251814 /nfs/dbraw/zinc/25/18/14/280251814.db2.gz AHQRRURMIZCSSK-KGLIPLIRSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000422899485 280280841 /nfs/dbraw/zinc/28/08/41/280280841.db2.gz OQJQQAOBQWQXGM-UONOGXRCSA-N 2 2 284.448 0.454 20 0 CCADLP CC[C@H]1CN(C(=O)[C@H](C)[NH+]2CC(C)C2)CC[N@@H+]1CCOC ZINC000514738304 281143309 /nfs/dbraw/zinc/14/33/09/281143309.db2.gz OIWFFPMGHSHRFY-GJZGRUSLSA-N 2 2 297.443 0.896 20 0 CCADLP CC[C@H]1CN(C(=O)[C@H](C)[NH+]2CC(C)C2)CC[N@H+]1CCOC ZINC000514738304 281143310 /nfs/dbraw/zinc/14/33/10/281143310.db2.gz OIWFFPMGHSHRFY-GJZGRUSLSA-N 2 2 297.443 0.896 20 0 CCADLP Cc1ccccc1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000516165995 281342930 /nfs/dbraw/zinc/34/29/30/281342930.db2.gz MMZANSKJLQHBFA-AWEZNQCLSA-N 2 2 276.384 0.779 20 0 CCADLP Cc1ccccc1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000516165995 281342931 /nfs/dbraw/zinc/34/29/31/281342931.db2.gz MMZANSKJLQHBFA-AWEZNQCLSA-N 2 2 276.384 0.779 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000580541255 335251812 /nfs/dbraw/zinc/25/18/12/335251812.db2.gz UMKNBAXWIQRMNS-JHJVBQTASA-N 2 2 289.445 0.388 20 0 CCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C1CCC(O)CC1 ZINC000353494784 289020777 /nfs/dbraw/zinc/02/07/77/289020777.db2.gz FHYBHWVIQRCAGV-YMAMQOFZSA-N 2 2 297.443 0.822 20 0 CCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C1CCC(O)CC1 ZINC000353494784 289020779 /nfs/dbraw/zinc/02/07/79/289020779.db2.gz FHYBHWVIQRCAGV-YMAMQOFZSA-N 2 2 297.443 0.822 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343886636 289243852 /nfs/dbraw/zinc/24/38/52/289243852.db2.gz KETYHQZFSYRKMH-RBSFLKMASA-N 2 2 296.459 0.421 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343886636 289243857 /nfs/dbraw/zinc/24/38/57/289243857.db2.gz KETYHQZFSYRKMH-RBSFLKMASA-N 2 2 296.459 0.421 20 0 CCADLP C[C@H](CCN1CCOCC1)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422910370 289485316 /nfs/dbraw/zinc/48/53/16/289485316.db2.gz HXAOWZRIOGZANF-RBSFLKMASA-N 2 2 285.432 0.454 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1CN[C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21 ZINC000353523679 290036174 /nfs/dbraw/zinc/03/61/74/290036174.db2.gz YFEUVMIPJPINTR-QXSJWSMHSA-N 2 2 280.460 0.695 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1CN[C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21 ZINC000353523679 290036175 /nfs/dbraw/zinc/03/61/75/290036175.db2.gz YFEUVMIPJPINTR-QXSJWSMHSA-N 2 2 280.460 0.695 20 0 CCADLP CN1CC[NH+](C)C[C@H]1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353523679 290036177 /nfs/dbraw/zinc/03/61/77/290036177.db2.gz YFEUVMIPJPINTR-QXSJWSMHSA-N 2 2 280.460 0.695 20 0 CCADLP CN1CC[NH+](C)C[C@H]1CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353523679 290036178 /nfs/dbraw/zinc/03/61/78/290036178.db2.gz YFEUVMIPJPINTR-QXSJWSMHSA-N 2 2 280.460 0.695 20 0 CCADLP C[C@H]([NH2+][C@H]1C[C@H]2CCCCN2C1=O)[C@H]1CCC[NH2+]1 ZINC000423159174 290061839 /nfs/dbraw/zinc/06/18/39/290061839.db2.gz FLQPEUBDYKLUHJ-LOWDOPEQSA-N 2 2 251.374 0.870 20 0 CCADLP CO[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C(C)C)C[C@@H]1OC ZINC000386343648 545085889 /nfs/dbraw/zinc/08/58/89/545085889.db2.gz LYHPOYGVMNQVPR-UPJWGTAASA-N 2 2 260.378 0.033 20 0 CCADLP CO[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C[C@@H]1OC ZINC000386343648 545085890 /nfs/dbraw/zinc/08/58/90/545085890.db2.gz LYHPOYGVMNQVPR-UPJWGTAASA-N 2 2 260.378 0.033 20 0 CCADLP CO[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C(C)C)C[C@@H]1OC ZINC000386343648 545085891 /nfs/dbraw/zinc/08/58/91/545085891.db2.gz LYHPOYGVMNQVPR-UPJWGTAASA-N 2 2 260.378 0.033 20 0 CCADLP CO[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C[C@@H]1OC ZINC000386343648 545085892 /nfs/dbraw/zinc/08/58/92/545085892.db2.gz LYHPOYGVMNQVPR-UPJWGTAASA-N 2 2 260.378 0.033 20 0 CCADLP CC(=O)NC1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000388560945 545086616 /nfs/dbraw/zinc/08/66/16/545086616.db2.gz CGBVLKIXWNLAAH-CQSZACIVSA-N 2 2 269.389 0.042 20 0 CCADLP CC(=O)NC1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000388560945 545086617 /nfs/dbraw/zinc/08/66/17/545086617.db2.gz CGBVLKIXWNLAAH-CQSZACIVSA-N 2 2 269.389 0.042 20 0 CCADLP C[C@H](CCCC[NH3+])[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423423760 298392394 /nfs/dbraw/zinc/39/23/94/298392394.db2.gz FCJALLFTKBDEQR-KWCYVHTRSA-N 3 2 255.406 0.861 20 0 CCADLP C[C@H](NC(=O)C1([NH3+])CCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000237552125 299031342 /nfs/dbraw/zinc/03/13/42/299031342.db2.gz VXGUOJXWGHFGQL-STQMWFEESA-N 2 2 283.416 0.873 20 0 CCADLP C[C@]1(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC[NH2+]C1 ZINC000261917390 300796253 /nfs/dbraw/zinc/79/62/53/300796253.db2.gz ZTTPVRNFOIKYDE-HIFRSBDPSA-N 2 2 281.400 0.309 20 0 CCADLP C[C@H](C(=O)NCC[N@@H+]1CCO[C@@H](C)C1)[NH+]1CC(C)C1 ZINC000584359449 329104018 /nfs/dbraw/zinc/10/40/18/329104018.db2.gz CHTNDHKZJJTFOF-QWHCGFSZSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@H](C(=O)NCC[N@H+]1CCO[C@@H](C)C1)[NH+]1CC(C)C1 ZINC000584359449 329104019 /nfs/dbraw/zinc/10/40/19/329104019.db2.gz CHTNDHKZJJTFOF-QWHCGFSZSA-N 2 2 269.389 0.164 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)no1 ZINC000574982904 328234694 /nfs/dbraw/zinc/23/46/94/328234694.db2.gz PRZPQDGSZILKNR-PWSUYJOCSA-N 2 2 292.383 0.948 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)no1 ZINC000574982904 328234695 /nfs/dbraw/zinc/23/46/95/328234695.db2.gz PRZPQDGSZILKNR-PWSUYJOCSA-N 2 2 292.383 0.948 20 0 CCADLP Cn1ccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)n1 ZINC000584062879 326913673 /nfs/dbraw/zinc/91/36/73/326913673.db2.gz AKEZNYKFQZTNSL-UHFFFAOYSA-N 2 2 252.362 0.357 20 0 CCADLP CN(C(=O)[C@@H]([NH3+])c1cscn1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000575991061 327006981 /nfs/dbraw/zinc/00/69/81/327006981.db2.gz HMYMQVCJTRMDIW-JQWIXIFHSA-N 2 2 280.397 0.838 20 0 CCADLP CN(C(=O)[C@@H]([NH3+])c1cscn1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000575991061 327006982 /nfs/dbraw/zinc/00/69/82/327006982.db2.gz HMYMQVCJTRMDIW-JQWIXIFHSA-N 2 2 280.397 0.838 20 0 CCADLP C[C@H](O)CCC[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000584113586 327040675 /nfs/dbraw/zinc/04/06/75/327040675.db2.gz YIZZENCMCREIJA-FQUUOJAGSA-N 2 2 274.405 0.207 20 0 CCADLP C[C@H](O)CCC[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000584113586 327040676 /nfs/dbraw/zinc/04/06/76/327040676.db2.gz YIZZENCMCREIJA-FQUUOJAGSA-N 2 2 274.405 0.207 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CC2(O)CC[NH+](C)CC2)n1C ZINC000584243107 327126260 /nfs/dbraw/zinc/12/62/60/327126260.db2.gz PPCODCQGIOVUFL-UHFFFAOYSA-N 3 2 252.362 0.275 20 0 CCADLP C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000381214456 327152942 /nfs/dbraw/zinc/15/29/42/327152942.db2.gz WDGBZFRIYFGRLI-WPRPVWTQSA-N 2 2 267.295 0.724 20 0 CCADLP C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000381214456 327152943 /nfs/dbraw/zinc/15/29/43/327152943.db2.gz WDGBZFRIYFGRLI-WPRPVWTQSA-N 2 2 267.295 0.724 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000583389704 327339559 /nfs/dbraw/zinc/33/95/59/327339559.db2.gz VCAPSAHDWLVUOT-SRVKXCTJSA-N 2 2 298.349 0.792 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000583389704 327339560 /nfs/dbraw/zinc/33/95/60/327339560.db2.gz VCAPSAHDWLVUOT-SRVKXCTJSA-N 2 2 298.349 0.792 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000583389704 327339561 /nfs/dbraw/zinc/33/95/61/327339561.db2.gz VCAPSAHDWLVUOT-SRVKXCTJSA-N 2 2 298.349 0.792 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000583389704 327339562 /nfs/dbraw/zinc/33/95/62/327339562.db2.gz VCAPSAHDWLVUOT-SRVKXCTJSA-N 2 2 298.349 0.792 20 0 CCADLP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000570171723 327573922 /nfs/dbraw/zinc/57/39/22/327573922.db2.gz JFUMZVMXMPQANL-XQHKEYJVSA-N 2 2 254.374 0.502 20 0 CCADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)CC(F)(F)C[NH3+] ZINC000582248615 328847999 /nfs/dbraw/zinc/84/79/99/328847999.db2.gz SGEGUPCRHYGKQL-VIFPVBQESA-N 2 2 274.315 0.928 20 0 CCADLP C[C@@H](C(=O)NCC[N@@H+]1CCO[C@H](C)C1)[NH+]1CC(C)C1 ZINC000584359448 329104255 /nfs/dbraw/zinc/10/42/55/329104255.db2.gz CHTNDHKZJJTFOF-OLZOCXBDSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H](C(=O)NCC[N@H+]1CCO[C@H](C)C1)[NH+]1CC(C)C1 ZINC000584359448 329104257 /nfs/dbraw/zinc/10/42/57/329104257.db2.gz CHTNDHKZJJTFOF-OLZOCXBDSA-N 2 2 269.389 0.164 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000582794585 329211539 /nfs/dbraw/zinc/21/15/39/329211539.db2.gz NUUZEWOTQWGOPI-MCIONIFRSA-N 2 2 286.416 0.282 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000582794585 329211540 /nfs/dbraw/zinc/21/15/40/329211540.db2.gz NUUZEWOTQWGOPI-MCIONIFRSA-N 2 2 286.416 0.282 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000582794585 329211542 /nfs/dbraw/zinc/21/15/42/329211542.db2.gz NUUZEWOTQWGOPI-MCIONIFRSA-N 2 2 286.416 0.282 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000582794585 329211544 /nfs/dbraw/zinc/21/15/44/329211544.db2.gz NUUZEWOTQWGOPI-MCIONIFRSA-N 2 2 286.416 0.282 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@@]3(C)CCC[NH2+]3)CC2)cc[nH+]1 ZINC000582906617 329281505 /nfs/dbraw/zinc/28/15/05/329281505.db2.gz XAOSOSQFVZENGH-OAHLLOKOSA-N 2 2 289.383 0.576 20 0 CCADLP C[C@@H]1CC[N@@H+](CCNCc2c[nH+]c(N(C)C)n2C)C1 ZINC000582951612 329293104 /nfs/dbraw/zinc/29/31/04/329293104.db2.gz HREITMQDLLVTQS-GFCCVEGCSA-N 2 2 265.405 0.918 20 0 CCADLP C[C@@H]1CC[N@H+](CCNCc2c[nH+]c(N(C)C)n2C)C1 ZINC000582951612 329293103 /nfs/dbraw/zinc/29/31/03/329293103.db2.gz HREITMQDLLVTQS-GFCCVEGCSA-N 2 2 265.405 0.918 20 0 CCADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)[NH2+]C2CC2)C1 ZINC000583141967 329321312 /nfs/dbraw/zinc/32/13/12/329321312.db2.gz VMIQQUDJJKFVDX-VXGBXAGGSA-N 2 2 297.399 0.128 20 0 CCADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)[NH2+]C2CC2)C1 ZINC000583141967 329321313 /nfs/dbraw/zinc/32/13/13/329321313.db2.gz VMIQQUDJJKFVDX-VXGBXAGGSA-N 2 2 297.399 0.128 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2nc(C)no2)CC1 ZINC000574986881 330119018 /nfs/dbraw/zinc/11/90/18/330119018.db2.gz LOTHJZKTIZQUSE-CYBMUJFWSA-N 2 2 282.388 0.870 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2nc(C)no2)CC1 ZINC000574986881 330119020 /nfs/dbraw/zinc/11/90/20/330119020.db2.gz LOTHJZKTIZQUSE-CYBMUJFWSA-N 2 2 282.388 0.870 20 0 CCADLP COC[C@H](C)C[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000575741931 335110694 /nfs/dbraw/zinc/11/06/94/335110694.db2.gz XTLOPIMASHGGTP-SYQHCUMBSA-N 2 2 274.405 0.329 20 0 CCADLP C(C[N@H+]1C[C@H]2CC[C@@H](C1)O2)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000576108274 335155346 /nfs/dbraw/zinc/15/53/46/335155346.db2.gz UXJGEUBJLJNUMA-OWCLPIDISA-N 2 2 279.428 0.925 20 0 CCADLP C(C[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000576108274 335155347 /nfs/dbraw/zinc/15/53/47/335155347.db2.gz UXJGEUBJLJNUMA-OWCLPIDISA-N 2 2 279.428 0.925 20 0 CCADLP COCC[N@H+](C)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000553429270 334384296 /nfs/dbraw/zinc/38/42/96/334384296.db2.gz WGCZBXSGZNXTMI-GFCCVEGCSA-N 2 2 280.372 0.140 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000553429270 334384297 /nfs/dbraw/zinc/38/42/97/334384297.db2.gz WGCZBXSGZNXTMI-GFCCVEGCSA-N 2 2 280.372 0.140 20 0 CCADLP NC(=O)c1c[nH+]ccc1NCc1c[nH+]c2n1CCCC2 ZINC000553593626 334393040 /nfs/dbraw/zinc/39/30/40/334393040.db2.gz ADFQEBJSEGLDDI-UHFFFAOYSA-N 2 2 271.324 0.747 20 0 CCADLP Cn1c[nH+]c(CC[NH2+]C[C@](C)(O)C(F)(F)F)c1 ZINC000313277393 334763333 /nfs/dbraw/zinc/76/33/33/334763333.db2.gz DPWVHLTZBSPOQC-VIFPVBQESA-N 2 2 251.252 0.866 20 0 CCADLP CCO[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)C[C@H]1C[NH3+] ZINC000405302904 545091973 /nfs/dbraw/zinc/09/19/73/545091973.db2.gz OREFOSYHGRKOQO-TZMCWYRMSA-N 3 2 266.389 0.648 20 0 CCADLP CCO[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)C[C@H]1C[NH3+] ZINC000405302904 545091974 /nfs/dbraw/zinc/09/19/74/545091974.db2.gz OREFOSYHGRKOQO-TZMCWYRMSA-N 3 2 266.389 0.648 20 0 CCADLP O=C(NC[C@H]1C[NH2+]CCO1)Nc1ccn2cc[nH+]c2c1 ZINC000572851848 334884238 /nfs/dbraw/zinc/88/42/38/334884238.db2.gz VXKHGCMQXQZVCP-LLVKDONJSA-N 2 2 275.312 0.444 20 0 CCADLP C[C@@H](CNC[C@@H](O)C[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000576389792 335197470 /nfs/dbraw/zinc/19/74/70/335197470.db2.gz CVDZYWIPYJUARS-JKSUJKDBSA-N 2 2 299.459 0.390 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)N(C)Cc2cnn(C)c2)CC[C@@H]1[NH3+] ZINC000576587727 335223019 /nfs/dbraw/zinc/22/30/19/335223019.db2.gz MNWMVWIJWMNQQQ-YPMHNXCESA-N 2 2 279.388 0.048 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2cnn(C)c2)CC[C@@H]1[NH3+] ZINC000576587727 335223021 /nfs/dbraw/zinc/22/30/21/335223021.db2.gz MNWMVWIJWMNQQQ-YPMHNXCESA-N 2 2 279.388 0.048 20 0 CCADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000576626743 335227376 /nfs/dbraw/zinc/22/73/76/335227376.db2.gz JKEUJVBCDVCSIJ-KVPXTZLJSA-N 3 2 279.428 0.859 20 0 CCADLP C[C@@H](CC(=O)NC[C@H](C)N1CC[NH+](C)CC1)n1cc[nH+]c1 ZINC000576879424 335259478 /nfs/dbraw/zinc/25/94/78/335259478.db2.gz IOTZDIZURLFLFV-KBPBESRZSA-N 2 2 293.415 0.586 20 0 CCADLP C(C[NH+]1CCCC1)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000580603188 335297530 /nfs/dbraw/zinc/29/75/30/335297530.db2.gz ZWTARIVWLVFRKS-CQSZACIVSA-N 2 2 253.390 0.489 20 0 CCADLP C(C[NH+]1CCCC1)C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000580603188 335297531 /nfs/dbraw/zinc/29/75/31/335297531.db2.gz ZWTARIVWLVFRKS-CQSZACIVSA-N 2 2 253.390 0.489 20 0 CCADLP C(CN1CC[N@@H+]2CCOC[C@H]2C1)C[NH+]1CCCC1 ZINC000580603188 335297533 /nfs/dbraw/zinc/29/75/33/335297533.db2.gz ZWTARIVWLVFRKS-CQSZACIVSA-N 2 2 253.390 0.489 20 0 CCADLP C(CN1CC[N@H+]2CCOC[C@H]2C1)C[NH+]1CCCC1 ZINC000580603188 335297534 /nfs/dbraw/zinc/29/75/34/335297534.db2.gz ZWTARIVWLVFRKS-CQSZACIVSA-N 2 2 253.390 0.489 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CC2=CCCOC2)C[C@@H](C)O1 ZINC000577099633 335300095 /nfs/dbraw/zinc/30/00/95/335300095.db2.gz GPHLRGMQNYMTIM-UMVBOHGHSA-N 2 2 284.400 0.393 20 0 CCADLP Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@H](O)C[NH+](C)C ZINC000577111265 335301889 /nfs/dbraw/zinc/30/18/89/335301889.db2.gz PEYSDYHOWWSLMC-LSDHHAIUSA-N 2 2 296.411 0.555 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CCC(F)(F)F)CCN2C1=O ZINC000577125229 335304984 /nfs/dbraw/zinc/30/49/84/335304984.db2.gz OEKHAFFBOOUQLB-YUMQZZPRSA-N 2 2 251.252 0.183 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@H]2CCCN(C)C2=O)C1 ZINC000577645995 335385155 /nfs/dbraw/zinc/38/51/55/335385155.db2.gz BRLDJALUARUHCB-NEPJUHHUSA-N 2 2 262.357 0.830 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC[C@H]2CCCCO2)[C@@H](C[NH3+])C1 ZINC000581240647 336029635 /nfs/dbraw/zinc/02/96/35/336029635.db2.gz UKYXYZLKLLUROX-QWHCGFSZSA-N 2 2 284.404 0.230 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC[C@H]2CCCCO2)[C@@H](C[NH3+])C1 ZINC000581240647 336029637 /nfs/dbraw/zinc/02/96/37/336029637.db2.gz UKYXYZLKLLUROX-QWHCGFSZSA-N 2 2 284.404 0.230 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)OC(C)(C)C1 ZINC000382268202 336085137 /nfs/dbraw/zinc/08/51/37/336085137.db2.gz BHAUKYOQWJUHKY-STQMWFEESA-N 2 2 274.405 0.425 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)OC(C)(C)C1 ZINC000382268202 336085136 /nfs/dbraw/zinc/08/51/36/336085136.db2.gz BHAUKYOQWJUHKY-STQMWFEESA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000382268202 336085139 /nfs/dbraw/zinc/08/51/39/336085139.db2.gz BHAUKYOQWJUHKY-STQMWFEESA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000382268202 336085140 /nfs/dbraw/zinc/08/51/40/336085140.db2.gz BHAUKYOQWJUHKY-STQMWFEESA-N 2 2 274.405 0.425 20 0 CCADLP C[C@@H]1CCC[C@H](C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000383102375 336104346 /nfs/dbraw/zinc/10/43/46/336104346.db2.gz FSMIXKYNBCXLTK-FRRDWIJNSA-N 2 2 253.390 0.914 20 0 CCADLP C[C@@H]1CCC[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000383102375 336104347 /nfs/dbraw/zinc/10/43/47/336104347.db2.gz FSMIXKYNBCXLTK-FRRDWIJNSA-N 2 2 253.390 0.914 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@H]2CCSC2)[C@H](C[NH3+])C1 ZINC000581597778 336109314 /nfs/dbraw/zinc/10/93/14/336109314.db2.gz WWVNPIZPNJTRQC-GHMZBOCLSA-N 2 2 272.418 0.024 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@H]2CCSC2)[C@H](C[NH3+])C1 ZINC000581597778 336109315 /nfs/dbraw/zinc/10/93/15/336109315.db2.gz WWVNPIZPNJTRQC-GHMZBOCLSA-N 2 2 272.418 0.024 20 0 CCADLP CCOC1CC(O)(C[NH2+]Cc2c[nH+]c(C)n2C)C1 ZINC000581896044 336162582 /nfs/dbraw/zinc/16/25/82/336162582.db2.gz XJXVYKFLOCLXKJ-UHFFFAOYSA-N 2 2 253.346 0.748 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000386328541 336170695 /nfs/dbraw/zinc/17/06/95/336170695.db2.gz JRKXBZKNUIWHBT-FRRDWIJNSA-N 2 2 276.446 0.751 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)S[C@@H](C)C1 ZINC000386328541 336170692 /nfs/dbraw/zinc/17/06/92/336170692.db2.gz JRKXBZKNUIWHBT-FRRDWIJNSA-N 2 2 276.446 0.751 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)S[C@@H](C)C1 ZINC000386328541 336170693 /nfs/dbraw/zinc/17/06/93/336170693.db2.gz JRKXBZKNUIWHBT-FRRDWIJNSA-N 2 2 276.446 0.751 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000386328541 336170694 /nfs/dbraw/zinc/17/06/94/336170694.db2.gz JRKXBZKNUIWHBT-FRRDWIJNSA-N 2 2 276.446 0.751 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCS[C@H](C)[C@H]1C ZINC000386445677 336174662 /nfs/dbraw/zinc/17/46/62/336174662.db2.gz QOWOACPTEWNXCR-UPJWGTAASA-N 2 2 276.446 0.751 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCS[C@H](C)[C@H]1C ZINC000386445677 336174663 /nfs/dbraw/zinc/17/46/63/336174663.db2.gz QOWOACPTEWNXCR-UPJWGTAASA-N 2 2 276.446 0.751 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCS[C@H](C)[C@H]1C ZINC000386445677 336174664 /nfs/dbraw/zinc/17/46/64/336174664.db2.gz QOWOACPTEWNXCR-UPJWGTAASA-N 2 2 276.446 0.751 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCS[C@H](C)[C@H]1C ZINC000386445677 336174666 /nfs/dbraw/zinc/17/46/66/336174666.db2.gz QOWOACPTEWNXCR-UPJWGTAASA-N 2 2 276.446 0.751 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000416440081 545093707 /nfs/dbraw/zinc/09/37/07/545093707.db2.gz RNOSKWPJNYANGN-IJLUTSLNSA-N 2 2 265.361 0.841 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]Cc1cnn2ccccc12 ZINC000184544700 521115657 /nfs/dbraw/zinc/11/56/57/521115657.db2.gz DAXQIVYGWHXYMW-UHFFFAOYSA-N 2 2 262.357 0.738 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]Cc1cnn2ccccc12 ZINC000184544700 521115671 /nfs/dbraw/zinc/11/56/71/521115671.db2.gz DAXQIVYGWHXYMW-UHFFFAOYSA-N 2 2 262.357 0.738 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000417513921 545094144 /nfs/dbraw/zinc/09/41/44/545094144.db2.gz ALLXYYHXOSHGOE-REWJHTLYSA-N 2 2 298.431 0.665 20 0 CCADLP C[C@@H](C[NH3+])NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000418568058 533797115 /nfs/dbraw/zinc/79/71/15/533797115.db2.gz OIXCHHLGDPEREL-STQMWFEESA-N 2 2 284.404 0.230 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ncc[nH]1 ZINC000428233076 545094670 /nfs/dbraw/zinc/09/46/70/545094670.db2.gz XISNOMOIBFRFFC-VXGBXAGGSA-N 2 2 279.388 0.648 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ncc[nH]1 ZINC000428233076 545094671 /nfs/dbraw/zinc/09/46/71/545094671.db2.gz XISNOMOIBFRFFC-VXGBXAGGSA-N 2 2 279.388 0.648 20 0 CCADLP Cc1cc(N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)nc(C)[nH+]1 ZINC000419006768 533913823 /nfs/dbraw/zinc/91/38/23/533913823.db2.gz QQTZKEIZABALBB-NEPJUHHUSA-N 2 2 264.373 0.985 20 0 CCADLP Cc1cc(N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)nc(C)[nH+]1 ZINC000419006768 533913828 /nfs/dbraw/zinc/91/38/28/533913828.db2.gz QQTZKEIZABALBB-NEPJUHHUSA-N 2 2 264.373 0.985 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C3CCOCC3)C2=O)CC[N@@H+]1C ZINC000358183923 533961211 /nfs/dbraw/zinc/96/12/11/533961211.db2.gz DYKJANQXFWNWJU-UMVBOHGHSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C3CCOCC3)C2=O)CC[N@H+]1C ZINC000358183923 533961218 /nfs/dbraw/zinc/96/12/18/533961218.db2.gz DYKJANQXFWNWJU-UMVBOHGHSA-N 2 2 295.427 0.839 20 0 CCADLP CC[NH+]1CCN(CCC(=O)N2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000346218016 535679227 /nfs/dbraw/zinc/67/92/27/535679227.db2.gz INRVMOHMJUFDPG-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP CC[NH+]1CCN(CCC(=O)N2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000346218016 535679234 /nfs/dbraw/zinc/67/92/34/535679234.db2.gz INRVMOHMJUFDPG-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP CCN1CC[NH+](CCC(=O)N2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000346218016 535679243 /nfs/dbraw/zinc/67/92/43/535679243.db2.gz INRVMOHMJUFDPG-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP CCN1CC[NH+](CCC(=O)N2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000346218016 535679248 /nfs/dbraw/zinc/67/92/48/535679248.db2.gz INRVMOHMJUFDPG-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP CC(=O)Nc1ccc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000068800431 519717584 /nfs/dbraw/zinc/71/75/84/519717584.db2.gz LCYIRHVJDUOLLI-INIZCTEOSA-N 2 2 290.411 0.980 20 0 CCADLP CC(=O)Nc1ccc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000068800431 519717585 /nfs/dbraw/zinc/71/75/85/519717585.db2.gz LCYIRHVJDUOLLI-INIZCTEOSA-N 2 2 290.411 0.980 20 0 CCADLP CC(C)(C)C(=O)N1CC[NH+](CCOCC[NH3+])CC1 ZINC000357035249 534448985 /nfs/dbraw/zinc/44/89/85/534448985.db2.gz WIOCTIRWJNFVNJ-UHFFFAOYSA-N 2 2 257.378 0.152 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150826204 519884908 /nfs/dbraw/zinc/88/49/08/519884908.db2.gz LVXSHOJDIGNROT-ZDUSSCGKSA-N 2 2 296.415 0.640 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150826204 519884910 /nfs/dbraw/zinc/88/49/10/519884910.db2.gz LVXSHOJDIGNROT-ZDUSSCGKSA-N 2 2 296.415 0.640 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150826162 519885129 /nfs/dbraw/zinc/88/51/29/519885129.db2.gz LVXSHOJDIGNROT-CYBMUJFWSA-N 2 2 296.415 0.640 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150826162 519885132 /nfs/dbraw/zinc/88/51/32/519885132.db2.gz LVXSHOJDIGNROT-CYBMUJFWSA-N 2 2 296.415 0.640 20 0 CCADLP [NH3+]CC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000423932190 534572379 /nfs/dbraw/zinc/57/23/79/534572379.db2.gz RWMQWCYIJYYYAF-GFCCVEGCSA-N 2 2 290.367 0.620 20 0 CCADLP CC[NH+]1CCC([N@H+](C)CC(=O)NCCC(=O)OC)CC1 ZINC000157503277 521557785 /nfs/dbraw/zinc/55/77/85/521557785.db2.gz IMDZOIRKOUSUFD-UHFFFAOYSA-N 2 2 285.388 0.082 20 0 CCADLP CC[NH+]1CCC([N@@H+](C)CC(=O)NCCC(=O)OC)CC1 ZINC000157503277 521557791 /nfs/dbraw/zinc/55/77/91/521557791.db2.gz IMDZOIRKOUSUFD-UHFFFAOYSA-N 2 2 285.388 0.082 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCc2c[nH+]cn2C)C1 ZINC000517263925 545101055 /nfs/dbraw/zinc/10/10/55/545101055.db2.gz FRWKOJJPHJIOKZ-LBPRGKRZSA-N 2 2 279.388 0.950 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCc2c[nH+]cn2C)C1 ZINC000517263925 545101056 /nfs/dbraw/zinc/10/10/56/545101056.db2.gz FRWKOJJPHJIOKZ-LBPRGKRZSA-N 2 2 279.388 0.950 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156537288 521741057 /nfs/dbraw/zinc/74/10/57/521741057.db2.gz ZIZGVXHJUGMEQH-NWDGAFQWSA-N 2 2 293.371 0.612 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156537288 521741058 /nfs/dbraw/zinc/74/10/58/521741058.db2.gz ZIZGVXHJUGMEQH-NWDGAFQWSA-N 2 2 293.371 0.612 20 0 CCADLP COCC[C@@]1(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)CC[NH2+]C1 ZINC000370771476 521899805 /nfs/dbraw/zinc/89/98/05/521899805.db2.gz GSVIMGZAOIKCIZ-HIFRSBDPSA-N 2 2 294.399 0.652 20 0 CCADLP COCC[C@]1(C(=O)NC[C@H](C)Cn2cc[nH+]c2)CC[NH2+]C1 ZINC000370771475 522003092 /nfs/dbraw/zinc/00/30/92/522003092.db2.gz GSVIMGZAOIKCIZ-DZGCQCFKSA-N 2 2 294.399 0.652 20 0 CCADLP CNS(=O)(=O)[C@@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000363473215 522240747 /nfs/dbraw/zinc/24/07/47/522240747.db2.gz ZMXFQCVINWWROW-VXGBXAGGSA-N 2 2 275.418 0.094 20 0 CCADLP CNS(=O)(=O)[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000363473215 522240756 /nfs/dbraw/zinc/24/07/56/522240756.db2.gz ZMXFQCVINWWROW-VXGBXAGGSA-N 2 2 275.418 0.094 20 0 CCADLP CNS(=O)(=O)[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000363473215 522240765 /nfs/dbraw/zinc/24/07/65/522240765.db2.gz ZMXFQCVINWWROW-VXGBXAGGSA-N 2 2 275.418 0.094 20 0 CCADLP CNS(=O)(=O)[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000363473215 522240772 /nfs/dbraw/zinc/24/07/72/522240772.db2.gz ZMXFQCVINWWROW-VXGBXAGGSA-N 2 2 275.418 0.094 20 0 CCADLP COC[C@@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000364736537 522424762 /nfs/dbraw/zinc/42/47/62/522424762.db2.gz DVBVCOLREDILQU-VNQPRFMTSA-N 2 2 293.411 0.889 20 0 CCADLP COC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000364736537 522424772 /nfs/dbraw/zinc/42/47/72/522424772.db2.gz DVBVCOLREDILQU-VNQPRFMTSA-N 2 2 293.411 0.889 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000342147961 534707417 /nfs/dbraw/zinc/70/74/17/534707417.db2.gz ZUDZZMICQKDHPJ-UHFFFAOYSA-N 2 2 256.350 0.082 20 0 CCADLP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)NC[C@H]3CCCO3)C2)C1 ZINC000366537176 523994966 /nfs/dbraw/zinc/99/49/66/523994966.db2.gz VVYQXQCGWALGPG-HIFRSBDPSA-N 2 2 281.400 0.309 20 0 CCADLP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)NC[C@H]3CCCO3)C2)C1 ZINC000366537176 523994970 /nfs/dbraw/zinc/99/49/70/523994970.db2.gz VVYQXQCGWALGPG-HIFRSBDPSA-N 2 2 281.400 0.309 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)NC[C@H]3CCCO3)C2)C1 ZINC000366537176 523994975 /nfs/dbraw/zinc/99/49/75/523994975.db2.gz VVYQXQCGWALGPG-HIFRSBDPSA-N 2 2 281.400 0.309 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)NC[C@H]3CCCO3)C2)C1 ZINC000366537176 523994979 /nfs/dbraw/zinc/99/49/79/523994979.db2.gz VVYQXQCGWALGPG-HIFRSBDPSA-N 2 2 281.400 0.309 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCCCC[NH+](C)C ZINC000356100382 524052311 /nfs/dbraw/zinc/05/23/11/524052311.db2.gz SIICXGJGMXYHCM-UHFFFAOYSA-N 2 2 252.362 0.811 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C[C@H](C)O1 ZINC000366557040 524781794 /nfs/dbraw/zinc/78/17/94/524781794.db2.gz NWDSXILPTADXII-IJEWVQPXSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C[C@H](C)O1 ZINC000366557040 524781806 /nfs/dbraw/zinc/78/18/06/524781806.db2.gz NWDSXILPTADXII-IJEWVQPXSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)C[C@H](C)O1 ZINC000366557040 524781813 /nfs/dbraw/zinc/78/18/13/524781813.db2.gz NWDSXILPTADXII-IJEWVQPXSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)C[C@H](C)O1 ZINC000366557040 524781825 /nfs/dbraw/zinc/78/18/25/524781825.db2.gz NWDSXILPTADXII-IJEWVQPXSA-N 2 2 295.427 0.650 20 0 CCADLP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358254064 534843528 /nfs/dbraw/zinc/84/35/28/534843528.db2.gz OYEQIMHBMQGFSF-ZWNOBZJWSA-N 2 2 252.362 0.446 20 0 CCADLP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358254064 534843531 /nfs/dbraw/zinc/84/35/31/534843531.db2.gz OYEQIMHBMQGFSF-ZWNOBZJWSA-N 2 2 252.362 0.446 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)C[NH+](C)[C@@H]2CCSC2)CC[N@H+]1C ZINC000356852120 525680174 /nfs/dbraw/zinc/68/01/74/525680174.db2.gz MYFJMAOMUWBZML-FRRDWIJNSA-N 2 2 285.457 0.975 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)C[NH+](C)[C@@H]2CCSC2)CC[N@@H+]1C ZINC000356852120 525680181 /nfs/dbraw/zinc/68/01/81/525680181.db2.gz MYFJMAOMUWBZML-FRRDWIJNSA-N 2 2 285.457 0.975 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC[NH+]1C ZINC000356852120 525680187 /nfs/dbraw/zinc/68/01/87/525680187.db2.gz MYFJMAOMUWBZML-FRRDWIJNSA-N 2 2 285.457 0.975 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC[NH+]1C ZINC000356852120 525680194 /nfs/dbraw/zinc/68/01/94/525680194.db2.gz MYFJMAOMUWBZML-FRRDWIJNSA-N 2 2 285.457 0.975 20 0 CCADLP C[C@H](c1nnnn1C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000364919359 526191378 /nfs/dbraw/zinc/19/13/78/526191378.db2.gz VNPVUEZTFPKIDC-SECBINFHSA-N 2 2 261.333 0.874 20 0 CCADLP CC(C)CC[C@@H](O)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000361227832 534917037 /nfs/dbraw/zinc/91/70/37/534917037.db2.gz HTBWTIQELDLDIL-CQSZACIVSA-N 2 2 285.432 0.489 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cncnc1 ZINC000666732047 545129345 /nfs/dbraw/zinc/12/93/45/545129345.db2.gz RAZKGBWKKORCBA-UHFFFAOYSA-N 2 2 280.376 0.482 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cncnc1 ZINC000666732047 545129346 /nfs/dbraw/zinc/12/93/46/545129346.db2.gz RAZKGBWKKORCBA-UHFFFAOYSA-N 2 2 280.376 0.482 20 0 CCADLP Cn1nnc2cc(C[NH2+]C[C@@H]3C[C@H](F)C[NH2+]3)ccc21 ZINC000666945296 545135893 /nfs/dbraw/zinc/13/58/93/545135893.db2.gz JAZWFSQIKLQICO-QWRGUYRKSA-N 2 2 263.320 0.758 20 0 CCADLP Cc1[nH+]cc(C[N@@H+](C)C[C@@H](O)COCCOC(C)C)n1C ZINC000667555031 545149406 /nfs/dbraw/zinc/14/94/06/545149406.db2.gz OCBRPKMTAVLEDK-OAHLLOKOSA-N 2 2 299.415 0.963 20 0 CCADLP Cc1[nH+]cc(C[N@H+](C)C[C@@H](O)COCCOC(C)C)n1C ZINC000667555031 545149407 /nfs/dbraw/zinc/14/94/07/545149407.db2.gz OCBRPKMTAVLEDK-OAHLLOKOSA-N 2 2 299.415 0.963 20 0 CCADLP Cc1[nH+]cc(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)n1C ZINC000667595967 545150663 /nfs/dbraw/zinc/15/06/63/545150663.db2.gz VRPYNUGYMWVLBY-HUUCEWRRSA-N 2 2 278.400 0.760 20 0 CCADLP Cc1nc(N2CC[NH+](CCC(=O)NC(C)C)CC2)cc[nH+]1 ZINC000183771566 527346116 /nfs/dbraw/zinc/34/61/16/527346116.db2.gz RGPSACDYNQJUTI-UHFFFAOYSA-N 2 2 291.399 0.822 20 0 CCADLP Cc1nc(N2CC[NH+](CC[C@H]3CCOC3=O)CC2)cc[nH+]1 ZINC000183809797 527346497 /nfs/dbraw/zinc/34/64/97/527346497.db2.gz BTLNVTXVVXAWTE-ZDUSSCGKSA-N 2 2 290.367 0.860 20 0 CCADLP C(CN1CCC1)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000358346926 527479580 /nfs/dbraw/zinc/47/95/80/527479580.db2.gz DKXZVHVPMVGQTD-UHFFFAOYSA-N 2 2 296.459 0.078 20 0 CCADLP C(CN1CCC1)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000358346926 527479587 /nfs/dbraw/zinc/47/95/87/527479587.db2.gz DKXZVHVPMVGQTD-UHFFFAOYSA-N 2 2 296.459 0.078 20 0 CCADLP CO[C@]1(CO)CCC[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000668498133 545179051 /nfs/dbraw/zinc/17/90/51/545179051.db2.gz NWDNNVIVLJMCIW-CYBMUJFWSA-N 2 2 253.346 0.702 20 0 CCADLP CO[C@]1(CO)CCC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000668498133 545179052 /nfs/dbraw/zinc/17/90/52/545179052.db2.gz NWDNNVIVLJMCIW-CYBMUJFWSA-N 2 2 253.346 0.702 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)n1C ZINC000668597838 545183547 /nfs/dbraw/zinc/18/35/47/545183547.db2.gz VPPIQGBPNQERHI-BXUZGUMPSA-N 2 2 264.373 0.954 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)n1C ZINC000668597838 545183548 /nfs/dbraw/zinc/18/35/48/545183548.db2.gz VPPIQGBPNQERHI-BXUZGUMPSA-N 2 2 264.373 0.954 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449647350 527893180 /nfs/dbraw/zinc/89/31/80/527893180.db2.gz PPQLSCDJFXLNKT-MWLCHTKSSA-N 2 2 263.332 0.865 20 0 CCADLP CCN1C[C@@H]([NH2+]Cc2c[nH+]ccc2N(C)C)CC1=O ZINC000449519009 527949848 /nfs/dbraw/zinc/94/98/48/527949848.db2.gz PJXRXPUEFBOXOY-LBPRGKRZSA-N 2 2 262.357 0.858 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCc2ccsc2)[C@H](C[NH3+])C1 ZINC000669366222 545206038 /nfs/dbraw/zinc/20/60/38/545206038.db2.gz RARJEJZKJKNKMT-GFCCVEGCSA-N 2 2 282.413 0.575 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000669461867 545208776 /nfs/dbraw/zinc/20/87/76/545208776.db2.gz GOGNAPWTXQNAOH-CHWSQXEVSA-N 2 2 284.404 0.148 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000669461867 545208777 /nfs/dbraw/zinc/20/87/77/545208777.db2.gz GOGNAPWTXQNAOH-CHWSQXEVSA-N 2 2 284.404 0.148 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000669461685 545208865 /nfs/dbraw/zinc/20/88/65/545208865.db2.gz PNLNBZARUFAUMW-QWHCGFSZSA-N 2 2 284.404 0.148 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000669461685 545208866 /nfs/dbraw/zinc/20/88/66/545208866.db2.gz PNLNBZARUFAUMW-QWHCGFSZSA-N 2 2 284.404 0.148 20 0 CCADLP O=C(NC[C@@H]1CCC[NH2+]1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000669542880 545213933 /nfs/dbraw/zinc/21/39/33/545213933.db2.gz PJZFWWYORAYQFM-QWHCGFSZSA-N 2 2 289.383 0.712 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)NC/C=C/C[NH3+])cn21 ZINC000669554536 545214622 /nfs/dbraw/zinc/21/46/22/545214622.db2.gz NBTRNHOTCUPXNF-NSCUHMNNSA-N 2 2 273.340 0.957 20 0 CCADLP CCC(=O)CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000450498618 528287840 /nfs/dbraw/zinc/28/78/40/528287840.db2.gz GNINJJOAOVASCJ-HNNXBMFYSA-N 2 2 295.427 0.984 20 0 CCADLP CCC(=O)CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000450498618 528287845 /nfs/dbraw/zinc/28/78/45/528287845.db2.gz GNINJJOAOVASCJ-HNNXBMFYSA-N 2 2 295.427 0.984 20 0 CCADLP CC[NH2+]CCNC(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000418329018 528313807 /nfs/dbraw/zinc/31/38/07/528313807.db2.gz ULIAXMBOIQQMFU-GFCCVEGCSA-N 2 2 272.393 0.006 20 0 CCADLP CC[NH2+]CCNC(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000418329018 528313811 /nfs/dbraw/zinc/31/38/11/528313811.db2.gz ULIAXMBOIQQMFU-GFCCVEGCSA-N 2 2 272.393 0.006 20 0 CCADLP C[C@H](NC(=O)C(C)(C)[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000669905852 545222884 /nfs/dbraw/zinc/22/28/84/545222884.db2.gz BOBCCEIXOUYNCQ-ZDUSSCGKSA-N 2 2 297.443 0.944 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000449143195 528536752 /nfs/dbraw/zinc/53/67/52/528536752.db2.gz PLWSMIPDWMBVER-OLZOCXBDSA-N 2 2 299.415 0.470 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000423860776 528548747 /nfs/dbraw/zinc/54/87/47/528548747.db2.gz AYRRBYLUDMQBBI-UKRRQHHQSA-N 2 2 297.443 0.944 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000423860776 528548752 /nfs/dbraw/zinc/54/87/52/528548752.db2.gz AYRRBYLUDMQBBI-UKRRQHHQSA-N 2 2 297.443 0.944 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000449116406 528555388 /nfs/dbraw/zinc/55/53/88/528555388.db2.gz LFMPYKBPFBQUDE-YNEHKIRRSA-N 2 2 271.405 0.600 20 0 CCADLP CCOCC[N@@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000492865613 528728448 /nfs/dbraw/zinc/72/84/48/528728448.db2.gz PAIJTJRNIQHSEW-DSYXLKISSA-N 2 2 292.383 0.992 20 0 CCADLP CCOCC[N@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000492865613 528728453 /nfs/dbraw/zinc/72/84/53/528728453.db2.gz PAIJTJRNIQHSEW-DSYXLKISSA-N 2 2 292.383 0.992 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000671744065 545259126 /nfs/dbraw/zinc/25/91/26/545259126.db2.gz WVFOWQIUEJZDRX-RRFJBIMHSA-N 3 2 294.443 0.223 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000671744065 545259127 /nfs/dbraw/zinc/25/91/27/545259127.db2.gz WVFOWQIUEJZDRX-RRFJBIMHSA-N 3 2 294.443 0.223 20 0 CCADLP O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000672154489 545263595 /nfs/dbraw/zinc/26/35/95/545263595.db2.gz MZSDXOWLYPCDGP-SMDDNHRTSA-N 2 2 274.368 0.941 20 0 CCADLP O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@H]1CCC[N@H+]1C1CC1 ZINC000672154489 545263596 /nfs/dbraw/zinc/26/35/96/545263596.db2.gz MZSDXOWLYPCDGP-SMDDNHRTSA-N 2 2 274.368 0.941 20 0 CCADLP CC(C)[N@H+](C[C@H](O)C[NH+](C)C1CC1)C[C@@H]1CCC(=O)N1 ZINC000412087909 528929451 /nfs/dbraw/zinc/92/94/51/528929451.db2.gz SAQYIVLCCFNQKZ-GXTWGEPZSA-N 2 2 283.416 0.431 20 0 CCADLP CC(C)[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C[C@@H]1CCC(=O)N1 ZINC000412087909 528929457 /nfs/dbraw/zinc/92/94/57/528929457.db2.gz SAQYIVLCCFNQKZ-GXTWGEPZSA-N 2 2 283.416 0.431 20 0 CCADLP CC(C)[NH+](C[C@H](O)C[N@H+](C)C1CC1)C[C@@H]1CCC(=O)N1 ZINC000412087909 528929463 /nfs/dbraw/zinc/92/94/63/528929463.db2.gz SAQYIVLCCFNQKZ-GXTWGEPZSA-N 2 2 283.416 0.431 20 0 CCADLP CC(C)[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C[C@@H]1CCC(=O)N1 ZINC000412087909 528929467 /nfs/dbraw/zinc/92/94/67/528929467.db2.gz SAQYIVLCCFNQKZ-GXTWGEPZSA-N 2 2 283.416 0.431 20 0 CCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000672824198 545273610 /nfs/dbraw/zinc/27/36/10/545273610.db2.gz DBJNQHZUXIHGEL-GFCCVEGCSA-N 2 2 264.373 0.952 20 0 CCADLP CCOC(=O)N1CC[C@H]([NH2+][C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000495463041 529022528 /nfs/dbraw/zinc/02/25/28/529022528.db2.gz DPEZWWRSTSFQSE-SRVKXCTJSA-N 2 2 255.362 0.757 20 0 CCADLP CCOC(=O)N1CC[C@H]([NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000495463041 529022533 /nfs/dbraw/zinc/02/25/33/529022533.db2.gz DPEZWWRSTSFQSE-SRVKXCTJSA-N 2 2 255.362 0.757 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000423675186 529127159 /nfs/dbraw/zinc/12/71/59/529127159.db2.gz ICOMTDRWQINHRH-CHWSQXEVSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000423675186 529127162 /nfs/dbraw/zinc/12/71/62/529127162.db2.gz ICOMTDRWQINHRH-CHWSQXEVSA-N 2 2 298.431 0.029 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CCCCOC)CC1 ZINC000419386738 529131978 /nfs/dbraw/zinc/13/19/78/529131978.db2.gz QEMQVJSWZPSMPG-AWEZNQCLSA-N 2 2 285.432 0.897 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CCCCOC)CC1 ZINC000419386738 529131980 /nfs/dbraw/zinc/13/19/80/529131980.db2.gz QEMQVJSWZPSMPG-AWEZNQCLSA-N 2 2 285.432 0.897 20 0 CCADLP C[NH+](C)C[C@@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000673520961 545287062 /nfs/dbraw/zinc/28/70/62/545287062.db2.gz JBUOFGWSPFXENC-ZDUSSCGKSA-N 2 2 288.351 0.525 20 0 CCADLP Cn1c[nH+]c(CNc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)c1 ZINC000673607965 545289518 /nfs/dbraw/zinc/28/95/18/545289518.db2.gz KWQMHETVFCCRBL-UHFFFAOYSA-N 2 2 299.378 0.876 20 0 CCADLP Cn1c[nH+]c(CNc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)c1 ZINC000673607965 545289519 /nfs/dbraw/zinc/28/95/19/545289519.db2.gz KWQMHETVFCCRBL-UHFFFAOYSA-N 2 2 299.378 0.876 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000673650307 545290053 /nfs/dbraw/zinc/29/00/53/545290053.db2.gz MKOSLPKLCAWUQG-CQSZACIVSA-N 2 2 292.383 0.596 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000673650307 545290054 /nfs/dbraw/zinc/29/00/54/545290054.db2.gz MKOSLPKLCAWUQG-CQSZACIVSA-N 2 2 292.383 0.596 20 0 CCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)Cn1cc[nH+]c1 ZINC000673672872 545290863 /nfs/dbraw/zinc/29/08/63/545290863.db2.gz NEQFGGUWDGZBRM-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP Cc1cc(C)n(CC[NH+]2CCC([NH2+]CCO)CC2)n1 ZINC000674006555 545298420 /nfs/dbraw/zinc/29/84/20/545298420.db2.gz XMGUEYHLJQXZTM-UHFFFAOYSA-N 2 2 266.389 0.546 20 0 CCADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000674263468 545301796 /nfs/dbraw/zinc/30/17/96/545301796.db2.gz JEMJMAOHGKOLPY-LBPRGKRZSA-N 2 2 294.399 0.886 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[NH2+]CC2([NH3+])CCC2)CC1 ZINC000342134508 535158223 /nfs/dbraw/zinc/15/82/23/535158223.db2.gz PWWIUEUJUPXNNN-UHFFFAOYSA-N 3 2 282.432 0.446 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000346148767 535182552 /nfs/dbraw/zinc/18/25/52/535182552.db2.gz LWMYIABHGSPXNR-UHFFFAOYSA-N 2 2 283.416 0.650 20 0 CCADLP c1nnn(-c2ccccc2)c1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000675895794 545332425 /nfs/dbraw/zinc/33/24/25/545332425.db2.gz TVTFZVBEHHHCJS-STQMWFEESA-N 2 2 269.352 0.919 20 0 CCADLP C1=C(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)COCC1 ZINC000676239618 545337856 /nfs/dbraw/zinc/33/78/56/545337856.db2.gz JUTSRMIMMJFGIT-MRXNPFEDSA-N 2 2 295.427 0.329 20 0 CCADLP C[C@H](NC(=O)N[C@@H]1CCC[N@H+](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000676244288 545338169 /nfs/dbraw/zinc/33/81/69/545338169.db2.gz ABRDSPFEOUVHTA-YNEHKIRRSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@H](NC(=O)N[C@@H]1CCC[N@@H+](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000676244288 545338170 /nfs/dbraw/zinc/33/81/70/545338170.db2.gz ABRDSPFEOUVHTA-YNEHKIRRSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@H](NC(=O)N[C@@H]1CCC[NH+](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000676244288 545338171 /nfs/dbraw/zinc/33/81/71/545338171.db2.gz ABRDSPFEOUVHTA-YNEHKIRRSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@H](NC(=O)N[C@@H]1CCC[NH+](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000676244288 545338172 /nfs/dbraw/zinc/33/81/72/545338172.db2.gz ABRDSPFEOUVHTA-YNEHKIRRSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H](NC(=O)N1CCC[N@H+](C)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000676303434 545340052 /nfs/dbraw/zinc/34/00/52/545340052.db2.gz CAYNWQXMAFHEKI-OLZOCXBDSA-N 2 2 284.404 0.053 20 0 CCADLP C[C@@H](NC(=O)N1CCC[N@@H+](C)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000676303434 545340053 /nfs/dbraw/zinc/34/00/53/545340053.db2.gz CAYNWQXMAFHEKI-OLZOCXBDSA-N 2 2 284.404 0.053 20 0 CCADLP C[C@@H](NC(=O)N1CCC[NH+](C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676303434 545340054 /nfs/dbraw/zinc/34/00/54/545340054.db2.gz CAYNWQXMAFHEKI-OLZOCXBDSA-N 2 2 284.404 0.053 20 0 CCADLP C[C@@H](NC(=O)N1CCC[NH+](C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676303434 545340055 /nfs/dbraw/zinc/34/00/55/545340055.db2.gz CAYNWQXMAFHEKI-OLZOCXBDSA-N 2 2 284.404 0.053 20 0 CCADLP C[C@H](NC(=O)N1CCC[N@H+](C)CC1)[C@H]1C[NH+](C)CCO1 ZINC000676303435 545340258 /nfs/dbraw/zinc/34/02/58/545340258.db2.gz CAYNWQXMAFHEKI-QWHCGFSZSA-N 2 2 284.404 0.053 20 0 CCADLP C[C@H](NC(=O)N1CCC[N@@H+](C)CC1)[C@H]1C[NH+](C)CCO1 ZINC000676303435 545340259 /nfs/dbraw/zinc/34/02/59/545340259.db2.gz CAYNWQXMAFHEKI-QWHCGFSZSA-N 2 2 284.404 0.053 20 0 CCADLP C[C@H](NC(=O)N1CCC[NH+](C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676303435 545340260 /nfs/dbraw/zinc/34/02/60/545340260.db2.gz CAYNWQXMAFHEKI-QWHCGFSZSA-N 2 2 284.404 0.053 20 0 CCADLP C[C@H](NC(=O)N1CCC[NH+](C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676303435 545340261 /nfs/dbraw/zinc/34/02/61/545340261.db2.gz CAYNWQXMAFHEKI-QWHCGFSZSA-N 2 2 284.404 0.053 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC000341783047 535634899 /nfs/dbraw/zinc/63/48/99/535634899.db2.gz UOIKXZFCAMJMKF-ZIAGYGMSSA-N 2 2 283.416 0.507 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC000341783047 535634906 /nfs/dbraw/zinc/63/49/06/535634906.db2.gz UOIKXZFCAMJMKF-ZIAGYGMSSA-N 2 2 283.416 0.507 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000346997425 535645655 /nfs/dbraw/zinc/64/56/55/535645655.db2.gz WLTODOMWXNACCW-RYUDHWBXSA-N 2 2 262.419 0.741 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000346997425 535645661 /nfs/dbraw/zinc/64/56/61/535645661.db2.gz WLTODOMWXNACCW-RYUDHWBXSA-N 2 2 262.419 0.741 20 0 CCADLP CCN1CCN(CC(C)(C)[NH3+])C[C@H]1c1[nH]cc[nH+]1 ZINC000261994113 535667681 /nfs/dbraw/zinc/66/76/81/535667681.db2.gz SSHCBWBCCAUPPX-NSHDSACASA-N 2 2 251.378 0.826 20 0 CCADLP CC[N@H+](CC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C1CC1 ZINC000676706477 545350055 /nfs/dbraw/zinc/35/00/55/545350055.db2.gz VXDDLVBJPDYHNI-OAHLLOKOSA-N 2 2 295.427 0.794 20 0 CCADLP CC[N@@H+](CC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C1CC1 ZINC000676706477 545350056 /nfs/dbraw/zinc/35/00/56/545350056.db2.gz VXDDLVBJPDYHNI-OAHLLOKOSA-N 2 2 295.427 0.794 20 0 CCADLP CC[N@@H+]1CCN(CCC[NH+]2CCOCC2)C[C@H]1C ZINC000677196834 545361061 /nfs/dbraw/zinc/36/10/61/545361061.db2.gz VDEAERSRRKHUPD-CQSZACIVSA-N 2 2 255.406 0.735 20 0 CCADLP CC[N@H+]1CCN(CCC[NH+]2CCOCC2)C[C@H]1C ZINC000677196834 545361062 /nfs/dbraw/zinc/36/10/62/545361062.db2.gz VDEAERSRRKHUPD-CQSZACIVSA-N 2 2 255.406 0.735 20 0 CCADLP Cn1ccc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000677850630 545374457 /nfs/dbraw/zinc/37/44/57/545374457.db2.gz JZOOBYIGOHGPPU-INIZCTEOSA-N 2 2 292.427 0.521 20 0 CCADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@H](C(N)=O)C2)s1 ZINC000347662441 536055597 /nfs/dbraw/zinc/05/55/97/536055597.db2.gz AVZUTTWQSQRSRZ-JTQLQIEISA-N 2 2 282.413 0.902 20 0 CCADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@H](C(N)=O)C2)s1 ZINC000347662441 536055602 /nfs/dbraw/zinc/05/56/02/536055602.db2.gz AVZUTTWQSQRSRZ-JTQLQIEISA-N 2 2 282.413 0.902 20 0 CCADLP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)NC[C@H]2CCCO2)CC1 ZINC000372992538 536135857 /nfs/dbraw/zinc/13/58/57/536135857.db2.gz XUFZASFABIWBLA-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)NC[C@H]2CCCO2)CC1 ZINC000372992538 536135861 /nfs/dbraw/zinc/13/58/61/536135861.db2.gz XUFZASFABIWBLA-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@H](Cn1cncn1)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000516939592 536137781 /nfs/dbraw/zinc/13/77/81/536137781.db2.gz GVZKPJDUHBNQIK-QWHCGFSZSA-N 2 2 251.378 0.988 20 0 CCADLP CC[C@H](Cn1cncn1)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000516939592 536137784 /nfs/dbraw/zinc/13/77/84/536137784.db2.gz GVZKPJDUHBNQIK-QWHCGFSZSA-N 2 2 251.378 0.988 20 0 CCADLP C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000261912299 536344715 /nfs/dbraw/zinc/34/47/15/536344715.db2.gz JFMBKSYNCJVGLL-ZNMIVQPWSA-N 3 2 267.417 0.827 20 0 CCADLP CO[C@H](C[NH3+])C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000227353038 536557672 /nfs/dbraw/zinc/55/76/72/536557672.db2.gz XTQSKKXEDRCMAV-GFCCVEGCSA-N 2 2 278.356 0.140 20 0 CCADLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]C2CSC2)C1=O ZINC000680002695 545421659 /nfs/dbraw/zinc/42/16/59/545421659.db2.gz NWIVRSXMDDIDGD-LLVKDONJSA-N 2 2 280.397 0.616 20 0 CCADLP COCC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000343246082 536795904 /nfs/dbraw/zinc/79/59/04/536795904.db2.gz MYALVKHZVGBVJV-ARFHVFGLSA-N 3 2 299.459 0.701 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000343246082 536795913 /nfs/dbraw/zinc/79/59/13/536795913.db2.gz MYALVKHZVGBVJV-ARFHVFGLSA-N 3 2 299.459 0.701 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000680815261 545435050 /nfs/dbraw/zinc/43/50/50/545435050.db2.gz MEEVOFUUPLFXNU-AWEZNQCLSA-N 2 2 260.341 0.719 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000680815261 545435051 /nfs/dbraw/zinc/43/50/51/545435051.db2.gz MEEVOFUUPLFXNU-AWEZNQCLSA-N 2 2 260.341 0.719 20 0 CCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@H](C)[NH+](C)C ZINC000681205731 545445463 /nfs/dbraw/zinc/44/54/63/545445463.db2.gz ABFUKMKHVUQWLL-OLZOCXBDSA-N 2 2 270.421 0.079 20 0 CCADLP CN(C)c1c[nH+]ccc1NC(=O)CCn1cc[nH+]c1 ZINC000681355882 545451462 /nfs/dbraw/zinc/45/14/62/545451462.db2.gz ASTKKSSWAPMMLY-UHFFFAOYSA-N 2 2 259.313 0.795 20 0 CCADLP COC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)C1CCOCC1 ZINC000682138207 545473495 /nfs/dbraw/zinc/47/34/95/545473495.db2.gz JLJVJYSDPCJFGP-BNOWGMLFSA-N 2 2 256.390 0.968 20 0 CCADLP COC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)C1CCOCC1 ZINC000682138207 545473496 /nfs/dbraw/zinc/47/34/96/545473496.db2.gz JLJVJYSDPCJFGP-BNOWGMLFSA-N 2 2 256.390 0.968 20 0 CCADLP C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682488278 545480390 /nfs/dbraw/zinc/48/03/90/545480390.db2.gz CHOARWLZLLXEII-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000682492653 545480554 /nfs/dbraw/zinc/48/05/54/545480554.db2.gz DGVVRVXMZXCAGG-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000682492653 545480555 /nfs/dbraw/zinc/48/05/55/545480555.db2.gz DGVVRVXMZXCAGG-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP CC(C)[C@@H]1C[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CS1 ZINC000683108781 545495655 /nfs/dbraw/zinc/49/56/55/545495655.db2.gz GQZKZSPYTRMBMO-STQMWFEESA-N 2 2 285.457 0.880 20 0 CCADLP C[C@@H](Nc1nc2c(cnn2C)c(N)[nH+]1)[C@H]1C[N@H+](C)CCO1 ZINC000683458313 545524494 /nfs/dbraw/zinc/52/44/94/545524494.db2.gz DXDUXKSQIUEMSR-PSASIEDQSA-N 2 2 291.359 0.077 20 0 CCADLP C[C@@H](Nc1nc2c(cnn2C)c(N)[nH+]1)[C@H]1C[N@@H+](C)CCO1 ZINC000683458313 545524497 /nfs/dbraw/zinc/52/44/97/545524497.db2.gz DXDUXKSQIUEMSR-PSASIEDQSA-N 2 2 291.359 0.077 20 0 CCADLP Cn1nnc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000683777907 545562261 /nfs/dbraw/zinc/56/22/61/545562261.db2.gz AGPNDHVHAAEHCW-UHFFFAOYSA-N 2 2 290.371 0.440 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000683659206 545556153 /nfs/dbraw/zinc/55/61/53/545556153.db2.gz NKXXJBGSJSDXKM-RRFJBIMHSA-N 2 2 297.399 0.932 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000683659206 545556156 /nfs/dbraw/zinc/55/61/56/545556156.db2.gz NKXXJBGSJSDXKM-RRFJBIMHSA-N 2 2 297.399 0.932 20 0 CCADLP Cc1c(C[N@H+](C)C[C@@H](O)C[NH+]2CCCC2)cnn1C ZINC000790444486 581187383 /nfs/dbraw/zinc/18/73/83/581187383.db2.gz HDNKICFUJHRTCQ-CQSZACIVSA-N 2 2 266.389 0.617 20 0 CCADLP Cc1c(C[N@@H+](C)C[C@@H](O)C[NH+]2CCCC2)cnn1C ZINC000790444486 581187384 /nfs/dbraw/zinc/18/73/84/581187384.db2.gz HDNKICFUJHRTCQ-CQSZACIVSA-N 2 2 266.389 0.617 20 0 CCADLP C[C@@H]1OCC[C@]12C[N@H+](C[C@H](O)C[NH+]1CCCC1)CCO2 ZINC000791586634 581225155 /nfs/dbraw/zinc/22/51/55/581225155.db2.gz VMMSBEPOFNRPNU-ZNMIVQPWSA-N 2 2 284.400 0.323 20 0 CCADLP C[C@@H]1OCC[C@]12C[N@@H+](C[C@H](O)C[NH+]1CCCC1)CCO2 ZINC000791586634 581225156 /nfs/dbraw/zinc/22/51/56/581225156.db2.gz VMMSBEPOFNRPNU-ZNMIVQPWSA-N 2 2 284.400 0.323 20 0 CCADLP Cn1cc[nH+]c1CN1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000305442336 581258065 /nfs/dbraw/zinc/25/80/65/581258065.db2.gz NMSKFHYZRDWARR-ZIAGYGMSSA-N 2 2 278.400 0.841 20 0 CCADLP CCc1cc(N2CC[NH+](CC[S@](C)=O)CC2)nc(C)[nH+]1 ZINC000782146823 581290234 /nfs/dbraw/zinc/29/02/34/581290234.db2.gz FVBDCPDBXJPNMA-FQEVSTJZSA-N 2 2 296.440 0.848 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+](C)[C@H]2CCOC2)C1 ZINC000783987643 581369733 /nfs/dbraw/zinc/36/97/33/581369733.db2.gz JIZNXZMBFXLVNJ-NEPJUHHUSA-N 2 2 278.356 0.414 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+](C)[C@H]2CCOC2)C1 ZINC000783987643 581369735 /nfs/dbraw/zinc/36/97/35/581369735.db2.gz JIZNXZMBFXLVNJ-NEPJUHHUSA-N 2 2 278.356 0.414 20 0 CCADLP C[C@@H]1C[N@H+](CN2C[C@@H](c3c[nH+]cn3C)CC2=O)CCCO1 ZINC000783985222 581370150 /nfs/dbraw/zinc/37/01/50/581370150.db2.gz TXXHIXQDQZPMOG-OLZOCXBDSA-N 2 2 292.383 0.804 20 0 CCADLP C[C@@H]1C[N@@H+](CN2C[C@@H](c3c[nH+]cn3C)CC2=O)CCCO1 ZINC000783985222 581370152 /nfs/dbraw/zinc/37/01/52/581370152.db2.gz TXXHIXQDQZPMOG-OLZOCXBDSA-N 2 2 292.383 0.804 20 0 CCADLP OC[C@H]1[C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C[C@H]12 ZINC000794865277 581389502 /nfs/dbraw/zinc/38/95/02/581389502.db2.gz PBOUHGHYVXHCPV-WDNDVIMCSA-N 2 2 270.336 0.937 20 0 CCADLP OC[C@H]1[C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C[C@H]12 ZINC000794865277 581389504 /nfs/dbraw/zinc/38/95/04/581389504.db2.gz PBOUHGHYVXHCPV-WDNDVIMCSA-N 2 2 270.336 0.937 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)OCC[NH+]1CCOCC1 ZINC000785745198 581417786 /nfs/dbraw/zinc/41/77/86/581417786.db2.gz ZEZOMYTWFJYTLH-BETUJISGSA-N 2 2 270.373 0.735 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)OCC[NH+]1CCOCC1 ZINC000785745198 581417789 /nfs/dbraw/zinc/41/77/89/581417789.db2.gz ZEZOMYTWFJYTLH-BETUJISGSA-N 2 2 270.373 0.735 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)OCC[NH+]1CCOCC1 ZINC000785745199 581417823 /nfs/dbraw/zinc/41/78/23/581417823.db2.gz ZEZOMYTWFJYTLH-CHWSQXEVSA-N 2 2 270.373 0.735 20 0 CCADLP C[NH+](C)Cc1cnc(C[NH2+]CCN2CCOCC2)s1 ZINC000796259263 581435297 /nfs/dbraw/zinc/43/52/97/581435297.db2.gz SUFQISDABLUAAX-UHFFFAOYSA-N 2 2 284.429 0.627 20 0 CCADLP CC1(C)C[N@H+](C[C@H](O)C[NH+]2CCCC2)C[C@]2(CCOC2)O1 ZINC000796558777 581443791 /nfs/dbraw/zinc/44/37/91/581443791.db2.gz JSTDAQKPWQPBNK-ZBFHGGJFSA-N 2 2 298.427 0.713 20 0 CCADLP CC1(C)C[N@@H+](C[C@H](O)C[NH+]2CCCC2)C[C@]2(CCOC2)O1 ZINC000796558777 581443792 /nfs/dbraw/zinc/44/37/92/581443792.db2.gz JSTDAQKPWQPBNK-ZBFHGGJFSA-N 2 2 298.427 0.713 20 0 CCADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC000765967060 581543093 /nfs/dbraw/zinc/54/30/93/581543093.db2.gz WRVBEWKJSYTPTB-NEPJUHHUSA-N 2 2 267.373 0.455 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC000765967060 581543096 /nfs/dbraw/zinc/54/30/96/581543096.db2.gz WRVBEWKJSYTPTB-NEPJUHHUSA-N 2 2 267.373 0.455 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000765967060 581543098 /nfs/dbraw/zinc/54/30/98/581543098.db2.gz WRVBEWKJSYTPTB-NEPJUHHUSA-N 2 2 267.373 0.455 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000765967060 581543102 /nfs/dbraw/zinc/54/31/02/581543102.db2.gz WRVBEWKJSYTPTB-NEPJUHHUSA-N 2 2 267.373 0.455 20 0 CCADLP C[N@H+](CCn1cc[nH+]c1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000766241096 581558342 /nfs/dbraw/zinc/55/83/42/581558342.db2.gz AJLYDDZZZLIWSK-JTQLQIEISA-N 2 2 290.289 0.978 20 0 CCADLP C[N@@H+](CCn1cc[nH+]c1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000766241096 581558345 /nfs/dbraw/zinc/55/83/45/581558345.db2.gz AJLYDDZZZLIWSK-JTQLQIEISA-N 2 2 290.289 0.978 20 0 CCADLP COC(=O)C[C@]1([NH2+]CC[NH+]2CCCC2)CCOC1 ZINC000767029571 581592493 /nfs/dbraw/zinc/59/24/93/581592493.db2.gz HPROTVBKAPDVLB-CYBMUJFWSA-N 2 2 256.346 0.394 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)CN1C[C@@]2(CCOC2)CC1=O ZINC000767756781 581629271 /nfs/dbraw/zinc/62/92/71/581629271.db2.gz WSYRGJXQPLPJFQ-OAHLLOKOSA-N 2 2 292.383 0.802 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)CN1C[C@@]2(CCOC2)CC1=O ZINC000767756781 581629276 /nfs/dbraw/zinc/62/92/76/581629276.db2.gz WSYRGJXQPLPJFQ-OAHLLOKOSA-N 2 2 292.383 0.802 20 0 CCADLP OC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccsc1 ZINC000770688576 581761672 /nfs/dbraw/zinc/76/16/72/581761672.db2.gz MVZHLLJGAYSPFK-OLZOCXBDSA-N 2 2 270.398 0.828 20 0 CCADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000771403839 581772712 /nfs/dbraw/zinc/77/27/12/581772712.db2.gz IUDDRUODVQDEGL-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000771403839 581772715 /nfs/dbraw/zinc/77/27/15/581772715.db2.gz IUDDRUODVQDEGL-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CC(C)(CNC(=O)N[C@H]1CCC[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000416816826 581908895 /nfs/dbraw/zinc/90/88/95/581908895.db2.gz JGOYXYNBLVNMPE-STQMWFEESA-N 2 2 298.431 0.666 20 0 CCADLP CN(C)c1cc(NC(=O)CC[NH+]2CCOCC2)cc[nH+]1 ZINC000748511886 581978856 /nfs/dbraw/zinc/97/88/56/581978856.db2.gz KFRDOETWOKDMCU-UHFFFAOYSA-N 2 2 278.356 0.808 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1C ZINC000749255832 582001426 /nfs/dbraw/zinc/00/14/26/582001426.db2.gz FQOBPVJTYFLMDI-NWDGAFQWSA-N 2 2 262.357 0.608 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[N@H+]1C ZINC000749255832 582001429 /nfs/dbraw/zinc/00/14/29/582001429.db2.gz FQOBPVJTYFLMDI-NWDGAFQWSA-N 2 2 262.357 0.608 20 0 CCADLP CC(C)OC[C@H](CO)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000763877177 582018216 /nfs/dbraw/zinc/01/82/16/582018216.db2.gz FVNTUHAKMSOWMH-UONOGXRCSA-N 2 2 274.405 0.161 20 0 CCADLP CC(C)OC[C@H](CO)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000763877177 582018218 /nfs/dbraw/zinc/01/82/18/582018218.db2.gz FVNTUHAKMSOWMH-UONOGXRCSA-N 2 2 274.405 0.161 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC[N@@H+]1C ZINC000764403327 582044863 /nfs/dbraw/zinc/04/48/63/582044863.db2.gz VPXULLSYOGXXAK-NWDGAFQWSA-N 2 2 262.357 0.608 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC[N@H+]1C ZINC000764403327 582044865 /nfs/dbraw/zinc/04/48/65/582044865.db2.gz VPXULLSYOGXXAK-NWDGAFQWSA-N 2 2 262.357 0.608 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)CC[NH+]1CCOCC1 ZINC000751338856 582075882 /nfs/dbraw/zinc/07/58/82/582075882.db2.gz YMHZGTJTQCZFRM-LBPRGKRZSA-N 2 2 266.345 0.110 20 0 CCADLP CC[NH+]1CCC(NC(=O)COCc2[nH]cc[nH+]2)CC1 ZINC000776859598 582092171 /nfs/dbraw/zinc/09/21/71/582092171.db2.gz FQVPKSZVBBVBIY-UHFFFAOYSA-N 2 2 266.345 0.527 20 0 CCADLP CCON(CC)C(=O)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000877651562 615350276 /nfs/dbraw/zinc/35/02/76/615350276.db2.gz YITWQDKMRZOXML-NEPJUHHUSA-N 2 2 257.378 0.859 20 0 CCADLP CCON(CC)C(=O)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000877651562 615350279 /nfs/dbraw/zinc/35/02/79/615350279.db2.gz YITWQDKMRZOXML-NEPJUHHUSA-N 2 2 257.378 0.859 20 0 CCADLP CO[C@H](CC[NH2+][C@@H]1C[NH2+]CCOC1)C(F)(F)F ZINC000925644161 617082318 /nfs/dbraw/zinc/08/23/18/617082318.db2.gz INKPYZXAJSHEHC-RKDXNWHRSA-N 2 2 256.268 0.532 20 0 CCADLP C[C@@H]([NH3+])[C@H]([NH2+]CCCn1cc(CO)nn1)c1ccccc1 ZINC000925667288 617178353 /nfs/dbraw/zinc/17/83/53/617178353.db2.gz BJVCVBNLDCMNTF-DOMZBBRYSA-N 2 2 289.383 0.839 20 0 CCADLP CC(C)OCC[C@H](O)C[N@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000923329868 614024225 /nfs/dbraw/zinc/02/42/25/614024225.db2.gz QRWMRHPHKCUGKQ-KBPBESRZSA-N 2 2 256.390 0.989 20 0 CCADLP CC(C)OCC[C@H](O)C[N@@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000923329868 614024228 /nfs/dbraw/zinc/02/42/28/614024228.db2.gz QRWMRHPHKCUGKQ-KBPBESRZSA-N 2 2 256.390 0.989 20 0 CCADLP CC(C)[C@@H](C(=O)OCCC[NH+]1CCOCC1)[NH+](C)C ZINC000803495363 614079899 /nfs/dbraw/zinc/07/98/99/614079899.db2.gz OLUGLIKLFGHXQB-ZDUSSCGKSA-N 2 2 272.389 0.838 20 0 CCADLP CC(C)[NH+]1CCN(CCC[NH2+][C@@]2(C)CCOC2=O)CC1 ZINC000810095495 614362109 /nfs/dbraw/zinc/36/21/09/614362109.db2.gz NQNCQCZIMCLHAD-HNNXBMFYSA-N 2 2 283.416 0.698 20 0 CCADLP CSC[C@@H](O)C[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931286485 617250507 /nfs/dbraw/zinc/25/05/07/617250507.db2.gz GGAASSHAQJGBGV-AWEZNQCLSA-N 2 2 288.457 0.897 20 0 CCADLP CSC[C@@H](O)C[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931286485 617250508 /nfs/dbraw/zinc/25/05/08/617250508.db2.gz GGAASSHAQJGBGV-AWEZNQCLSA-N 2 2 288.457 0.897 20 0 CCADLP COc1ccc(OC)c([C@@H](O)C[NH2+]C[C@@H](O)C[NH+](C)C)c1 ZINC000843064282 617275802 /nfs/dbraw/zinc/27/58/02/617275802.db2.gz YEFMUVSBZDELHC-RISCZKNCSA-N 2 2 298.383 0.249 20 0 CCADLP COc1cccc(OC)c1OC[C@H](O)C[N@H+](C)C[C@H](C)[NH3+] ZINC000923411877 617305953 /nfs/dbraw/zinc/30/59/53/617305953.db2.gz UUQNKVWYYMKEES-NWDGAFQWSA-N 2 2 298.383 0.723 20 0 CCADLP COc1cccc(OC)c1OC[C@H](O)C[N@@H+](C)C[C@H](C)[NH3+] ZINC000923411877 617305956 /nfs/dbraw/zinc/30/59/56/617305956.db2.gz UUQNKVWYYMKEES-NWDGAFQWSA-N 2 2 298.383 0.723 20 0 CCADLP C([C@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903872271 613226991 /nfs/dbraw/zinc/22/69/91/613226991.db2.gz YDATYZWOQVVVQG-TZMCWYRMSA-N 3 2 251.374 0.193 20 0 CCADLP C([C@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903872271 613226994 /nfs/dbraw/zinc/22/69/94/613226994.db2.gz YDATYZWOQVVVQG-TZMCWYRMSA-N 3 2 251.374 0.193 20 0 CCADLP C(COC1CCOCC1)[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000925877818 613230981 /nfs/dbraw/zinc/23/09/81/613230981.db2.gz MHFQDWYJDDUXDO-GJZGRUSLSA-N 2 2 284.400 0.539 20 0 CCADLP C/C(=C\C(=O)NC1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000900001589 613255197 /nfs/dbraw/zinc/25/51/97/613255197.db2.gz GUYFFHYEAXOTNP-ACCUITESSA-N 2 2 281.400 0.475 20 0 CCADLP C/C(=C\C(=O)NC12CC[NH+](CC1)C2)C[NH+]1CCOCC1 ZINC000913636139 613255243 /nfs/dbraw/zinc/25/52/43/613255243.db2.gz YIRPTSTWPWZGAD-JLHYYAGUSA-N 2 2 279.384 0.229 20 0 CCADLP C/C(=C\C(=O)N[C@@H]1CCC[N@@H+](C)C1)C[NH+]1CCOCC1 ZINC000900588686 613258489 /nfs/dbraw/zinc/25/84/89/613258489.db2.gz GFISRRJBYXCCGG-JWAFFJSPSA-N 2 2 281.400 0.475 20 0 CCADLP C/C(=C\C(=O)N[C@@H]1CCC[N@H+](C)C1)C[NH+]1CCOCC1 ZINC000900588686 613258491 /nfs/dbraw/zinc/25/84/91/613258491.db2.gz GFISRRJBYXCCGG-JWAFFJSPSA-N 2 2 281.400 0.475 20 0 CCADLP CC(=O)NCCC[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931285721 613725068 /nfs/dbraw/zinc/72/50/68/613725068.db2.gz CGJRUZVZJKUEDR-UHFFFAOYSA-N 2 2 283.416 0.699 20 0 CCADLP CC(=O)NCCC[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931285721 613725064 /nfs/dbraw/zinc/72/50/64/613725064.db2.gz CGJRUZVZJKUEDR-UHFFFAOYSA-N 2 2 283.416 0.699 20 0 CCADLP CC(=O)NCCC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931305382 613725837 /nfs/dbraw/zinc/72/58/37/613725837.db2.gz FGBYZNHUVZNKFS-KBPBESRZSA-N 2 2 253.390 0.786 20 0 CCADLP CC(=O)NCCC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931305383 613726029 /nfs/dbraw/zinc/72/60/29/613726029.db2.gz FGBYZNHUVZNKFS-OKILXGFUSA-N 2 2 253.390 0.786 20 0 CCADLP CC(=O)NCCC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931305383 613726035 /nfs/dbraw/zinc/72/60/35/613726035.db2.gz FGBYZNHUVZNKFS-OKILXGFUSA-N 2 2 253.390 0.786 20 0 CCADLP CC(=O)NCCC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931305383 613726032 /nfs/dbraw/zinc/72/60/32/613726032.db2.gz FGBYZNHUVZNKFS-OKILXGFUSA-N 2 2 253.390 0.786 20 0 CCADLP CC(=O)NCCC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931305383 613726038 /nfs/dbraw/zinc/72/60/38/613726038.db2.gz FGBYZNHUVZNKFS-OKILXGFUSA-N 2 2 253.390 0.786 20 0 CCADLP CC(C)(C)CC[C@H]([NH3+])C[NH+]1CCC(C(=O)NCCO)CC1 ZINC000904307995 613914650 /nfs/dbraw/zinc/91/46/50/613914650.db2.gz IYTBAWUKPLPKHE-AWEZNQCLSA-N 2 2 299.459 0.961 20 0 CCADLP CC(C)[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000959935930 613951237 /nfs/dbraw/zinc/95/12/37/613951237.db2.gz DAQIXVSHTZQUED-KBPBESRZSA-N 2 2 283.416 0.696 20 0 CCADLP CC(C)[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000959935930 613951239 /nfs/dbraw/zinc/95/12/39/613951239.db2.gz DAQIXVSHTZQUED-KBPBESRZSA-N 2 2 283.416 0.696 20 0 CCADLP CC(C)OC[C@H](O)C[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000871971148 614036771 /nfs/dbraw/zinc/03/67/71/614036771.db2.gz HRHWDJGKVDKGRJ-QLFBSQMISA-N 2 2 288.432 0.861 20 0 CCADLP CC(C)OC[C@H](O)C[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000871971148 614036774 /nfs/dbraw/zinc/03/67/74/614036774.db2.gz HRHWDJGKVDKGRJ-QLFBSQMISA-N 2 2 288.432 0.861 20 0 CCADLP CC(C)(C)n1cc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])c(=O)[nH]c1=O ZINC000925809809 614061282 /nfs/dbraw/zinc/06/12/82/614061282.db2.gz XCNXUFLKIZRSGW-QWRGUYRKSA-N 2 2 280.372 0.673 20 0 CCADLP CC(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC000962139567 614129657 /nfs/dbraw/zinc/12/96/57/614129657.db2.gz HTRHHXOOLMGCEW-YABSGUDNSA-N 2 2 262.357 0.655 20 0 CCADLP CC(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC000962139567 614129659 /nfs/dbraw/zinc/12/96/59/614129659.db2.gz HTRHHXOOLMGCEW-YABSGUDNSA-N 2 2 262.357 0.655 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000904463788 614218101 /nfs/dbraw/zinc/21/81/01/614218101.db2.gz SULFQRYRWPDHGS-WOPDTQHZSA-N 2 2 277.434 0.216 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000904463788 614218103 /nfs/dbraw/zinc/21/81/03/614218103.db2.gz SULFQRYRWPDHGS-WOPDTQHZSA-N 2 2 277.434 0.216 20 0 CCADLP CC(=O)c1cn(C2C[NH+](CC3CC[NH+](C)CC3)C2)nn1 ZINC000897940871 614261441 /nfs/dbraw/zinc/26/14/41/614261441.db2.gz FKRXCHGILITTIB-UHFFFAOYSA-N 2 2 277.372 0.679 20 0 CCADLP CC(C)[NH+]1CCN(CCC(=O)NCCn2cc[nH+]c2)CC1 ZINC000900193680 614360395 /nfs/dbraw/zinc/36/03/95/614360395.db2.gz PWCRTPXLJMKZBY-UHFFFAOYSA-N 2 2 293.415 0.415 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000923510068 614361899 /nfs/dbraw/zinc/36/18/99/614361899.db2.gz XGSXBHOAMPILAW-HUUCEWRRSA-N 3 2 268.449 0.682 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000923510068 614361901 /nfs/dbraw/zinc/36/19/01/614361901.db2.gz XGSXBHOAMPILAW-HUUCEWRRSA-N 3 2 268.449 0.682 20 0 CCADLP CC(C)[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000972571218 614366661 /nfs/dbraw/zinc/36/66/61/614366661.db2.gz AYFMMQUVDFVIPO-OAHLLOKOSA-N 2 2 292.383 0.664 20 0 CCADLP CC(C)[N@H+]1CCO[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000972571218 614366662 /nfs/dbraw/zinc/36/66/62/614366662.db2.gz AYFMMQUVDFVIPO-OAHLLOKOSA-N 2 2 292.383 0.664 20 0 CCADLP CCCn1cc([C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)nn1 ZINC000902795298 614540575 /nfs/dbraw/zinc/54/05/75/614540575.db2.gz CVOYXUQCDACNQB-KGLIPLIRSA-N 2 2 294.447 0.975 20 0 CCADLP CC1(C)CC[N@H+](CC[NH2+][C@H]2CCNC(=O)CC2)C1 ZINC000898034855 614546536 /nfs/dbraw/zinc/54/65/36/614546536.db2.gz ZDPKYQBCHAFAEQ-GFCCVEGCSA-N 2 2 253.390 0.977 20 0 CCADLP CC1(C)CC[N@@H+](CC[NH2+][C@H]2CCNC(=O)CC2)C1 ZINC000898034855 614546539 /nfs/dbraw/zinc/54/65/39/614546539.db2.gz ZDPKYQBCHAFAEQ-GFCCVEGCSA-N 2 2 253.390 0.977 20 0 CCADLP CCCN(CC[NH+](C)C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865178519 614579331 /nfs/dbraw/zinc/57/93/31/614579331.db2.gz XCTMQVGIRCDTKW-LLVKDONJSA-N 2 2 254.334 0.243 20 0 CCADLP CCC([NH3+])(CC)C[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903917989 614587725 /nfs/dbraw/zinc/58/77/25/614587725.db2.gz PPJWDXQGOXXSEF-LBPRGKRZSA-N 3 2 280.420 0.810 20 0 CCADLP CCC[NH+]1CCC([NH2+][C@H](C)C(=O)N(C)OC)CC1 ZINC000858583849 614621657 /nfs/dbraw/zinc/62/16/57/614621657.db2.gz HWRVQPRTVRFJHS-LLVKDONJSA-N 2 2 257.378 0.859 20 0 CCADLP CCC1(CC)CNC(=O)[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000933289780 614683796 /nfs/dbraw/zinc/68/37/96/614683796.db2.gz NAFXFAHQUBPPGS-OLZOCXBDSA-N 2 2 283.416 0.338 20 0 CCADLP CCC[NH+]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000948750374 614686639 /nfs/dbraw/zinc/68/66/39/614686639.db2.gz FTSZNBXRYRFCEU-CQSZACIVSA-N 2 2 293.415 0.368 20 0 CCADLP CCC1(CC)CNC(=O)[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000933287040 614687954 /nfs/dbraw/zinc/68/79/54/614687954.db2.gz SOPZVPNKOJFHCJ-CHWSQXEVSA-N 2 2 283.416 0.336 20 0 CCADLP CCC1(CC)CNC(=O)[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000933287040 614687957 /nfs/dbraw/zinc/68/79/57/614687957.db2.gz SOPZVPNKOJFHCJ-CHWSQXEVSA-N 2 2 283.416 0.336 20 0 CCADLP CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000972699132 614692240 /nfs/dbraw/zinc/69/22/40/614692240.db2.gz AKOLREPGWDPGQH-HNNXBMFYSA-N 2 2 292.383 0.596 20 0 CCADLP CCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000972699132 614692242 /nfs/dbraw/zinc/69/22/42/614692242.db2.gz AKOLREPGWDPGQH-HNNXBMFYSA-N 2 2 292.383 0.596 20 0 CCADLP CCC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000972699133 614695598 /nfs/dbraw/zinc/69/55/98/614695598.db2.gz AKOLREPGWDPGQH-OAHLLOKOSA-N 2 2 292.383 0.596 20 0 CCADLP CCC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000972699133 614695600 /nfs/dbraw/zinc/69/56/00/614695600.db2.gz AKOLREPGWDPGQH-OAHLLOKOSA-N 2 2 292.383 0.596 20 0 CCADLP CC1(C)C[NH2+]CC[C@@H]1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876869275 614702123 /nfs/dbraw/zinc/70/21/23/614702123.db2.gz DIGMVIRYDUDNEV-OOPCZODUSA-N 2 2 281.400 0.379 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891506486 614718831 /nfs/dbraw/zinc/71/88/31/614718831.db2.gz HUIVSCAJBJKNBE-HAQNSBGRSA-N 2 2 284.404 0.134 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891506486 614718834 /nfs/dbraw/zinc/71/88/34/614718834.db2.gz HUIVSCAJBJKNBE-HAQNSBGRSA-N 2 2 284.404 0.134 20 0 CCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000925670410 614808630 /nfs/dbraw/zinc/80/86/30/614808630.db2.gz JTYPBLBPWSRPOH-VXGBXAGGSA-N 2 2 289.445 0.531 20 0 CCADLP CC1(C)OC[C@H](C[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)O1 ZINC000894668326 614838695 /nfs/dbraw/zinc/83/86/95/614838695.db2.gz QKFSDOGXBAXVIW-STQMWFEESA-N 2 2 272.389 0.574 20 0 CCADLP CC1(C)OC[C@H](C[NH2+]C[C@@H]2CCC[N@H+]2CCCO)O1 ZINC000894668326 614838697 /nfs/dbraw/zinc/83/86/97/614838697.db2.gz QKFSDOGXBAXVIW-STQMWFEESA-N 2 2 272.389 0.574 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000884363397 614860843 /nfs/dbraw/zinc/86/08/43/614860843.db2.gz BVELBSWLANQZAC-OPVGQWETSA-N 2 2 267.373 0.117 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000884363262 614861495 /nfs/dbraw/zinc/86/14/95/614861495.db2.gz ZFFZRSQMCXZMDI-HBNTYKKESA-N 2 2 262.357 0.688 20 0 CCADLP CC1([NH+]2CCC2)CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000880475821 614912662 /nfs/dbraw/zinc/91/26/62/614912662.db2.gz YLIMVKMDZRTVJA-CYBMUJFWSA-N 2 2 254.374 0.962 20 0 CCADLP CC[NH+](CC)CCC[N@@H+]1CCC(OC)(OC)[C@H](O)C1 ZINC000931632845 614991585 /nfs/dbraw/zinc/99/15/85/614991585.db2.gz BWMOJBOLOPLCPE-CYBMUJFWSA-N 2 2 274.405 0.774 20 0 CCADLP CC[NH+](CC)CCC[N@H+]1CCC(OC)(OC)[C@H](O)C1 ZINC000931632845 614991587 /nfs/dbraw/zinc/99/15/87/614991587.db2.gz BWMOJBOLOPLCPE-CYBMUJFWSA-N 2 2 274.405 0.774 20 0 CCADLP CC[NH+](CC)CCOCCNC(=O)Cc1[nH]cc[nH+]1 ZINC000832137374 614997960 /nfs/dbraw/zinc/99/79/60/614997960.db2.gz KBMRNYRZBXNFIW-UHFFFAOYSA-N 2 2 268.361 0.427 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)[NH2+]C[C@@H](O)c1ccccn1 ZINC000853111495 615000815 /nfs/dbraw/zinc/00/08/15/615000815.db2.gz WTFVMYORQAXZAP-DZGCQCFKSA-N 2 2 281.400 0.797 20 0 CCADLP CCC[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903755353 615010446 /nfs/dbraw/zinc/01/04/46/615010446.db2.gz FZMIMIVPBSRLQJ-CHWSQXEVSA-N 2 2 253.390 0.977 20 0 CCADLP CCC[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903755353 615010449 /nfs/dbraw/zinc/01/04/49/615010449.db2.gz FZMIMIVPBSRLQJ-CHWSQXEVSA-N 2 2 253.390 0.977 20 0 CCADLP CC[N@H+](CC[NH3+])C[C@@H](O)COc1c(OC)cccc1OC ZINC000923402601 615047216 /nfs/dbraw/zinc/04/72/16/615047216.db2.gz ZLVXOLCIGMPZOI-GFCCVEGCSA-N 2 2 298.383 0.724 20 0 CCADLP CC[N@@H+](CC[NH3+])C[C@@H](O)COc1c(OC)cccc1OC ZINC000923402601 615047218 /nfs/dbraw/zinc/04/72/18/615047218.db2.gz ZLVXOLCIGMPZOI-GFCCVEGCSA-N 2 2 298.383 0.724 20 0 CCADLP CC[N@H+](CCO)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935432559 615054112 /nfs/dbraw/zinc/05/41/12/615054112.db2.gz UNDAXFVIJFKVCC-UHFFFAOYSA-N 2 2 276.340 0.607 20 0 CCADLP CC[N@@H+](CCO)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935432559 615054114 /nfs/dbraw/zinc/05/41/14/615054114.db2.gz UNDAXFVIJFKVCC-UHFFFAOYSA-N 2 2 276.340 0.607 20 0 CCADLP CC[NH2+]C1(C)CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000940426208 615070716 /nfs/dbraw/zinc/07/07/16/615070716.db2.gz JPVSUIIUPPJNRR-UHFFFAOYSA-N 2 2 264.373 0.953 20 0 CCADLP CC[NH2+]CC1CC(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000962011011 615081248 /nfs/dbraw/zinc/08/12/48/615081248.db2.gz ZONCZQRZHGFETC-OTTFEQOBSA-N 2 2 276.384 0.950 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000970767876 615119037 /nfs/dbraw/zinc/11/90/37/615119037.db2.gz PKVYWTAOZNXEOE-ZIAGYGMSSA-N 2 2 281.400 0.308 20 0 CCADLP CC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)[C@@H](C)C1 ZINC000910284642 615120724 /nfs/dbraw/zinc/12/07/24/615120724.db2.gz TVAUCGYDQDWJDW-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)[C@@H](C)C1 ZINC000910284642 615120725 /nfs/dbraw/zinc/12/07/25/615120725.db2.gz TVAUCGYDQDWJDW-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](C)C1 ZINC000910284642 615120726 /nfs/dbraw/zinc/12/07/26/615120726.db2.gz TVAUCGYDQDWJDW-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](C)C1 ZINC000910284642 615120727 /nfs/dbraw/zinc/12/07/27/615120727.db2.gz TVAUCGYDQDWJDW-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH2+][C@H]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000981417488 615134406 /nfs/dbraw/zinc/13/44/06/615134406.db2.gz LMGABYSNAZTPGW-QWRGUYRKSA-N 2 2 250.346 0.989 20 0 CCADLP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cnn(C)n2)CC1 ZINC000924661662 615157308 /nfs/dbraw/zinc/15/73/08/615157308.db2.gz SFKPCEYGAXGOFG-AWEZNQCLSA-N 2 2 294.447 0.883 20 0 CCADLP CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000972487163 615177106 /nfs/dbraw/zinc/17/71/06/615177106.db2.gz LROWIJNLARMHRC-HNNXBMFYSA-N 2 2 292.383 0.596 20 0 CCADLP CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000972487163 615177107 /nfs/dbraw/zinc/17/71/07/615177107.db2.gz LROWIJNLARMHRC-HNNXBMFYSA-N 2 2 292.383 0.596 20 0 CCADLP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CC)C1 ZINC000912399754 615206194 /nfs/dbraw/zinc/20/61/94/615206194.db2.gz YEDVAANCBFUHBN-GFCCVEGCSA-N 2 2 250.346 0.895 20 0 CCADLP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CC)C1 ZINC000912399754 615206195 /nfs/dbraw/zinc/20/61/95/615206195.db2.gz YEDVAANCBFUHBN-GFCCVEGCSA-N 2 2 250.346 0.895 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000882488796 615255391 /nfs/dbraw/zinc/25/53/91/615255391.db2.gz IQIASOVZVXQUPJ-VXGBXAGGSA-N 2 2 271.430 0.634 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000882488796 615255393 /nfs/dbraw/zinc/25/53/93/615255393.db2.gz IQIASOVZVXQUPJ-VXGBXAGGSA-N 2 2 271.430 0.634 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)N1CC[NH+](CCOC)CC1 ZINC000890073304 615314629 /nfs/dbraw/zinc/31/46/29/615314629.db2.gz KNFYRMZMBAODET-ZDUSSCGKSA-N 2 2 284.404 0.054 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)N1CC[NH+](CCOC)CC1 ZINC000890073304 615314630 /nfs/dbraw/zinc/31/46/30/615314630.db2.gz KNFYRMZMBAODET-ZDUSSCGKSA-N 2 2 284.404 0.054 20 0 CCADLP CCS(=O)(=O)NCCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879577889 615344036 /nfs/dbraw/zinc/34/40/36/615344036.db2.gz NRKKDADXDPFJDN-STQMWFEESA-N 2 2 289.445 0.342 20 0 CCADLP CCS(=O)(=O)NCCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879577889 615344040 /nfs/dbraw/zinc/34/40/40/615344040.db2.gz NRKKDADXDPFJDN-STQMWFEESA-N 2 2 289.445 0.342 20 0 CCADLP CCS(=O)(=O)NCCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879577889 615344042 /nfs/dbraw/zinc/34/40/42/615344042.db2.gz NRKKDADXDPFJDN-STQMWFEESA-N 2 2 289.445 0.342 20 0 CCADLP CCS(=O)(=O)NCCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879577889 615344043 /nfs/dbraw/zinc/34/40/43/615344043.db2.gz NRKKDADXDPFJDN-STQMWFEESA-N 2 2 289.445 0.342 20 0 CCADLP CCN1C[C@@H](C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)OC1=O ZINC000846918470 615344524 /nfs/dbraw/zinc/34/45/24/615344524.db2.gz KDYAOLLCAQYDRI-TZMCWYRMSA-N 2 2 267.373 0.855 20 0 CCADLP CCN1C[C@@H](C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)OC1=O ZINC000846918470 615344526 /nfs/dbraw/zinc/34/45/26/615344526.db2.gz KDYAOLLCAQYDRI-TZMCWYRMSA-N 2 2 267.373 0.855 20 0 CCADLP CCN1C[C@@H](C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)OC1=O ZINC000846918470 615344529 /nfs/dbraw/zinc/34/45/29/615344529.db2.gz KDYAOLLCAQYDRI-TZMCWYRMSA-N 2 2 267.373 0.855 20 0 CCADLP CCN1C[C@@H](C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)OC1=O ZINC000846918470 615344530 /nfs/dbraw/zinc/34/45/30/615344530.db2.gz KDYAOLLCAQYDRI-TZMCWYRMSA-N 2 2 267.373 0.855 20 0 CCADLP CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC000958259139 615370121 /nfs/dbraw/zinc/37/01/21/615370121.db2.gz ZSPIBDOCVFOHCG-WCQYABFASA-N 2 2 288.351 0.377 20 0 CCADLP CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC000958259139 615370125 /nfs/dbraw/zinc/37/01/25/615370125.db2.gz ZSPIBDOCVFOHCG-WCQYABFASA-N 2 2 288.351 0.377 20 0 CCADLP CC[C@@H](C(=O)NCC[N@@H+]1CCOC[C@@H]1CC)[NH+](C)C ZINC000874704731 615380683 /nfs/dbraw/zinc/38/06/83/615380683.db2.gz MMDLPYYXWHIVEM-STQMWFEESA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@@H](C(=O)NCC[N@H+]1CCOC[C@@H]1CC)[NH+](C)C ZINC000874704731 615380685 /nfs/dbraw/zinc/38/06/85/615380685.db2.gz MMDLPYYXWHIVEM-STQMWFEESA-N 2 2 271.405 0.554 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)C[C@H]2CCC(=O)N2)C1 ZINC000925928965 615401522 /nfs/dbraw/zinc/40/15/22/615401522.db2.gz GUWVUGILNOXYKQ-UMSGYPCISA-N 2 2 253.390 0.973 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)C[C@H]2CCC(=O)N2)C1 ZINC000925928965 615401524 /nfs/dbraw/zinc/40/15/24/615401524.db2.gz GUWVUGILNOXYKQ-UMSGYPCISA-N 2 2 253.390 0.973 20 0 CCADLP CCO[C@@H](C[N@@H+]1CCC[C@@H]([NH2+]CCO)C1)C1CC1 ZINC000923410082 615404901 /nfs/dbraw/zinc/40/49/01/615404901.db2.gz WRPFJMOLTHXKGZ-KGLIPLIRSA-N 2 2 256.390 0.848 20 0 CCADLP CCO[C@@H](C[N@H+]1CCC[C@@H]([NH2+]CCO)C1)C1CC1 ZINC000923410082 615404903 /nfs/dbraw/zinc/40/49/03/615404903.db2.gz WRPFJMOLTHXKGZ-KGLIPLIRSA-N 2 2 256.390 0.848 20 0 CCADLP CCO[C@@H]1C[N@H+](Cc2cnn(CCF)c2)C[C@H]1C[NH3+] ZINC000903768821 615417498 /nfs/dbraw/zinc/41/74/98/615417498.db2.gz RLSLJRRANCSUSW-CHWSQXEVSA-N 2 2 270.352 0.648 20 0 CCADLP CCO[C@@H]1C[N@@H+](Cc2cnn(CCF)c2)C[C@H]1C[NH3+] ZINC000903768821 615417500 /nfs/dbraw/zinc/41/75/00/615417500.db2.gz RLSLJRRANCSUSW-CHWSQXEVSA-N 2 2 270.352 0.648 20 0 CCADLP CCO[C@H](CNC(=O)CCc1c[nH+]cn1C)C[NH+](C)C ZINC000831723208 615480620 /nfs/dbraw/zinc/48/06/20/615480620.db2.gz FILHLDWSFHQZGM-CYBMUJFWSA-N 2 2 282.388 0.436 20 0 CCADLP CCO[C@H](C[NH2+]C[C@@H]1[C@@H](C(=O)OC)C1(F)F)C[NH+](C)C ZINC000896880776 615483915 /nfs/dbraw/zinc/48/39/15/615483915.db2.gz ZNYDXWZEURFVCG-MXWKQRLJSA-N 2 2 294.342 0.597 20 0 CCADLP CCO[C@H]1C[C@H](O)C12CC[NH+](C[C@H]1CCC[NH2+]1)CC2 ZINC000903439542 615496090 /nfs/dbraw/zinc/49/60/90/615496090.db2.gz JYNQLOCBUPEZHS-RDBSUJKOSA-N 2 2 268.401 0.990 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C1(C[NH+](C)C)CC1 ZINC000874711119 615566866 /nfs/dbraw/zinc/56/68/66/615566866.db2.gz VKFYTVSCGOWTTR-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C1(C[NH+](C)C)CC1 ZINC000874711119 615566867 /nfs/dbraw/zinc/56/68/67/615566867.db2.gz VKFYTVSCGOWTTR-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000877432437 615568431 /nfs/dbraw/zinc/56/84/31/615568431.db2.gz DKNXSGQGSQBQLI-MGPQQGTHSA-N 2 2 285.432 0.833 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000877432437 615568432 /nfs/dbraw/zinc/56/84/32/615568432.db2.gz DKNXSGQGSQBQLI-MGPQQGTHSA-N 2 2 285.432 0.833 20 0 CCADLP CC[C@H](CO)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855414901 615729592 /nfs/dbraw/zinc/72/95/92/615729592.db2.gz MLJUCVXARMAOQZ-GFCCVEGCSA-N 2 2 259.394 0.005 20 0 CCADLP CC[C@H](CO)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855414901 615729595 /nfs/dbraw/zinc/72/95/95/615729595.db2.gz MLJUCVXARMAOQZ-GFCCVEGCSA-N 2 2 259.394 0.005 20 0 CCADLP CC[C@H](CO)[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000931687273 615732660 /nfs/dbraw/zinc/73/26/60/615732660.db2.gz VCAXODCSINSQDR-CYBMUJFWSA-N 2 2 283.416 0.563 20 0 CCADLP CN(C(=O)Cc1[nH]cc[nH+]1)[C@H]1CCC[N@H+](CCO)CC1 ZINC000948886872 615829482 /nfs/dbraw/zinc/82/94/82/615829482.db2.gz RYDMDTVIYLABOE-LBPRGKRZSA-N 2 2 280.372 0.257 20 0 CCADLP CN(C(=O)Cc1[nH]cc[nH+]1)[C@H]1CCC[N@@H+](CCO)CC1 ZINC000948886872 615829483 /nfs/dbraw/zinc/82/94/83/615829483.db2.gz RYDMDTVIYLABOE-LBPRGKRZSA-N 2 2 280.372 0.257 20 0 CCADLP CN(C(=O)Cc1[nH]cc[nH+]1)[C@H]1CCC[N@H+](CCCO)CC1 ZINC000948885820 615829654 /nfs/dbraw/zinc/82/96/54/615829654.db2.gz FHOZGTKIOGDFET-ZDUSSCGKSA-N 2 2 294.399 0.648 20 0 CCADLP CN(C(=O)Cc1[nH]cc[nH+]1)[C@H]1CCC[N@@H+](CCCO)CC1 ZINC000948885820 615829655 /nfs/dbraw/zinc/82/96/55/615829655.db2.gz FHOZGTKIOGDFET-ZDUSSCGKSA-N 2 2 294.399 0.648 20 0 CCADLP CN(C)C(=O)c1cccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)c1 ZINC000904358818 615836573 /nfs/dbraw/zinc/83/65/73/615836573.db2.gz SRJCYJYTXRECDY-OAHLLOKOSA-N 2 2 291.395 0.857 20 0 CCADLP C[NH+](C)C1(C)CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000931351294 615846277 /nfs/dbraw/zinc/84/62/77/615846277.db2.gz KIRCBXQVBYSRPC-UHFFFAOYSA-N 2 2 263.407 0.081 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC/C=C\Cl ZINC000899034915 615879370 /nfs/dbraw/zinc/87/93/70/615879370.db2.gz LWNTXWKUSKDIDK-XQRVVYSFSA-N 2 2 276.812 0.922 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC/C=C\Cl ZINC000899034915 615879374 /nfs/dbraw/zinc/87/93/74/615879374.db2.gz LWNTXWKUSKDIDK-XQRVVYSFSA-N 2 2 276.812 0.922 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NOCC1CCC1 ZINC000824117156 615879207 /nfs/dbraw/zinc/87/92/07/615879207.db2.gz IXVQGQAVHQCQLQ-UHFFFAOYSA-N 2 2 286.420 0.901 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NOCC1CCC1 ZINC000824117156 615879209 /nfs/dbraw/zinc/87/92/09/615879209.db2.gz IXVQGQAVHQCQLQ-UHFFFAOYSA-N 2 2 286.420 0.901 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)OC[C@@H]1CCCO1 ZINC000849428653 615879246 /nfs/dbraw/zinc/87/92/46/615879246.db2.gz COKQRXOOEYTZNO-ZDUSSCGKSA-N 2 2 287.404 0.775 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)OC[C@@H]1CCCO1 ZINC000849428653 615879247 /nfs/dbraw/zinc/87/92/47/615879247.db2.gz COKQRXOOEYTZNO-ZDUSSCGKSA-N 2 2 287.404 0.775 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc[nH]c1=S ZINC000855416983 615879856 /nfs/dbraw/zinc/87/98/56/615879856.db2.gz SHUZIQIDDCZFKA-UHFFFAOYSA-N 2 2 296.440 0.984 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc[nH]c1=S ZINC000855416983 615879858 /nfs/dbraw/zinc/87/98/58/615879858.db2.gz SHUZIQIDDCZFKA-UHFFFAOYSA-N 2 2 296.440 0.984 20 0 CCADLP CN(CC[NH+](C)C)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000924772369 615890589 /nfs/dbraw/zinc/89/05/89/615890589.db2.gz ATSCVNKSNOGMIQ-UHFFFAOYSA-N 2 2 299.444 0.908 20 0 CCADLP C[NH+](C)CCn1nccc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000900403839 615919440 /nfs/dbraw/zinc/91/94/40/615919440.db2.gz SLSYXDOVRJLMRT-UHFFFAOYSA-N 2 2 291.399 0.365 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925609876 615944891 /nfs/dbraw/zinc/94/48/91/615944891.db2.gz WWBIJSVPYZTWPN-KFWWJZLASA-N 3 2 269.433 0.667 20 0 CCADLP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C)cc1 ZINC000921413385 615954488 /nfs/dbraw/zinc/95/44/88/615954488.db2.gz KQIBLWVIHAAICO-CYBMUJFWSA-N 2 2 297.424 0.731 20 0 CCADLP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+]2C)cc1 ZINC000921413385 615954490 /nfs/dbraw/zinc/95/44/90/615954490.db2.gz KQIBLWVIHAAICO-CYBMUJFWSA-N 2 2 297.424 0.731 20 0 CCADLP C[NH+](C)Cc1cnc(C[NH2+]CCN2CCNC2=O)s1 ZINC000886324109 615957590 /nfs/dbraw/zinc/95/75/90/615957590.db2.gz ZXMDFRKQYMKUQY-UHFFFAOYSA-N 2 2 283.401 0.320 20 0 CCADLP C[NH+](C)Cc1csc(CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC000927763998 615959304 /nfs/dbraw/zinc/95/93/04/615959304.db2.gz RMPPVDSGEFGEIT-JTQLQIEISA-N 2 2 282.413 0.773 20 0 CCADLP C[NH+](C)Cc1csc(CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC000927763998 615959305 /nfs/dbraw/zinc/95/93/05/615959305.db2.gz RMPPVDSGEFGEIT-JTQLQIEISA-N 2 2 282.413 0.773 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(N)nn1 ZINC000904345518 615980941 /nfs/dbraw/zinc/98/09/41/615980941.db2.gz IZORWJRKUAVXHB-MGPQQGTHSA-N 2 2 291.399 0.742 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(N)nn1 ZINC000904345518 615980944 /nfs/dbraw/zinc/98/09/44/615980944.db2.gz IZORWJRKUAVXHB-MGPQQGTHSA-N 2 2 291.399 0.742 20 0 CCADLP C[NH+](C)[C@@]1(CNC(=O)Cc2c[nH]c[nH+]2)CCSC1 ZINC000900947382 615986718 /nfs/dbraw/zinc/98/67/18/615986718.db2.gz ZQVYOYPZMUZFPS-GFCCVEGCSA-N 2 2 268.386 0.506 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H](O)CC3(CO)CCCC3)C[C@H]21 ZINC000931276394 615997617 /nfs/dbraw/zinc/99/76/17/615997617.db2.gz HKWRIJZRWUZNCE-BYNSBNAKSA-N 2 2 282.428 0.782 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)CC3(CO)CCCC3)C[C@H]21 ZINC000931276394 615997620 /nfs/dbraw/zinc/99/76/20/615997620.db2.gz HKWRIJZRWUZNCE-BYNSBNAKSA-N 2 2 282.428 0.782 20 0 CCADLP CN(C)c1cc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nc[nH+]1 ZINC000892143711 616010899 /nfs/dbraw/zinc/01/08/99/616010899.db2.gz LOKZRJLUHUPXDN-VXGBXAGGSA-N 2 2 277.372 0.818 20 0 CCADLP CN(C)c1cc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)nc[nH+]1 ZINC000892143711 616010902 /nfs/dbraw/zinc/01/09/02/616010902.db2.gz LOKZRJLUHUPXDN-VXGBXAGGSA-N 2 2 277.372 0.818 20 0 CCADLP CN(C)c1cc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)[nH+]cn1 ZINC000892143711 616010905 /nfs/dbraw/zinc/01/09/05/616010905.db2.gz LOKZRJLUHUPXDN-VXGBXAGGSA-N 2 2 277.372 0.818 20 0 CCADLP CN(C)c1cc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)[nH+]cn1 ZINC000892143711 616010908 /nfs/dbraw/zinc/01/09/08/616010908.db2.gz LOKZRJLUHUPXDN-VXGBXAGGSA-N 2 2 277.372 0.818 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=[NH2+])NCCC2CC2)n1C ZINC000864458540 616035817 /nfs/dbraw/zinc/03/58/17/616035817.db2.gz NFECLJZHZGKYGW-UHFFFAOYSA-N 2 2 264.377 0.900 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+](C[C@H]2CCC3(COC3)O2)CC1 ZINC000929659306 616076056 /nfs/dbraw/zinc/07/60/56/616076056.db2.gz ZWHVRNJNARPJIH-OAHLLOKOSA-N 2 2 298.427 0.713 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+](C[C@H]2CCC3(COC3)O2)CC1 ZINC000929659306 616076057 /nfs/dbraw/zinc/07/60/57/616076057.db2.gz ZWHVRNJNARPJIH-OAHLLOKOSA-N 2 2 298.427 0.713 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@H]([NH3+])CC1CC1 ZINC000884323540 616076552 /nfs/dbraw/zinc/07/65/52/616076552.db2.gz RWORVTCFCIEIJO-GFCCVEGCSA-N 2 2 250.346 0.859 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000901119877 616076626 /nfs/dbraw/zinc/07/66/26/616076626.db2.gz VNXJJUJNMPWNLZ-JSGCOSHPSA-N 2 2 280.372 0.187 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000901119877 616076627 /nfs/dbraw/zinc/07/66/27/616076627.db2.gz VNXJJUJNMPWNLZ-JSGCOSHPSA-N 2 2 280.372 0.187 20 0 CCADLP C[N@H+](CCF)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000971432203 616080384 /nfs/dbraw/zinc/08/03/84/616080384.db2.gz ICSJSWWLIWORLI-NSHDSACASA-N 2 2 268.336 0.845 20 0 CCADLP C[N@@H+](CCF)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000971432203 616080385 /nfs/dbraw/zinc/08/03/85/616080385.db2.gz ICSJSWWLIWORLI-NSHDSACASA-N 2 2 268.336 0.845 20 0 CCADLP C[N@H+](CCF)[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000971818186 616081255 /nfs/dbraw/zinc/08/12/55/616081255.db2.gz MWLWXBAVIYEXKS-OCCSQVGLSA-N 2 2 294.374 0.948 20 0 CCADLP C[N@@H+](CCF)[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000971818186 616081256 /nfs/dbraw/zinc/08/12/56/616081256.db2.gz MWLWXBAVIYEXKS-OCCSQVGLSA-N 2 2 294.374 0.948 20 0 CCADLP CN(CC[N@H+](C)CCO)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000912600556 616100422 /nfs/dbraw/zinc/10/04/22/616100422.db2.gz XEIBKTYWUZASMX-UHFFFAOYSA-N 2 2 294.399 0.144 20 0 CCADLP CN(CC[N@@H+](C)CCO)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000912600556 616100423 /nfs/dbraw/zinc/10/04/23/616100423.db2.gz XEIBKTYWUZASMX-UHFFFAOYSA-N 2 2 294.399 0.144 20 0 CCADLP C[N@H+](C[C@H]1CCS(=O)(=O)C1)C[C@H]1CCCC[NH2+]C1 ZINC000903733694 616151675 /nfs/dbraw/zinc/15/16/75/616151675.db2.gz MQWIKPZEBQUWBW-QWHCGFSZSA-N 2 2 274.430 0.743 20 0 CCADLP C[N@@H+](C[C@H]1CCS(=O)(=O)C1)C[C@H]1CCCC[NH2+]C1 ZINC000903733694 616151676 /nfs/dbraw/zinc/15/16/76/616151676.db2.gz MQWIKPZEBQUWBW-QWHCGFSZSA-N 2 2 274.430 0.743 20 0 CCADLP CN1CC(=O)N(CC[N@@H+]2CC[NH2+]CCC23CCC3)C1=O ZINC000923426519 616161232 /nfs/dbraw/zinc/16/12/32/616161232.db2.gz NJYDRDOUPTXWIT-UHFFFAOYSA-N 2 2 280.372 0.098 20 0 CCADLP CN1CC(=O)N(CC[N@H+]2CC[NH2+]CCC23CCC3)C1=O ZINC000923426519 616161233 /nfs/dbraw/zinc/16/12/33/616161233.db2.gz NJYDRDOUPTXWIT-UHFFFAOYSA-N 2 2 280.372 0.098 20 0 CCADLP C[N@H+](Cc1cc(=O)n2[nH]ccc2n1)C1CCC([NH3+])CC1 ZINC000843355042 616164460 /nfs/dbraw/zinc/16/44/60/616164460.db2.gz KAIVVEKEXFEYSX-UHFFFAOYSA-N 2 2 275.356 0.724 20 0 CCADLP C[N@@H+](Cc1cc(=O)n2[nH]ccc2n1)C1CCC([NH3+])CC1 ZINC000843355042 616164461 /nfs/dbraw/zinc/16/44/61/616164461.db2.gz KAIVVEKEXFEYSX-UHFFFAOYSA-N 2 2 275.356 0.724 20 0 CCADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCO[C@](C)(C3CC3)C2)CC1 ZINC000878888371 616173437 /nfs/dbraw/zinc/17/34/37/616173437.db2.gz LXLKGHUKKDYKOD-INIZCTEOSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC(NC(=O)C[N@H+]2CCO[C@](C)(C3CC3)C2)CC1 ZINC000878888371 616173438 /nfs/dbraw/zinc/17/34/38/616173438.db2.gz LXLKGHUKKDYKOD-INIZCTEOSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC(OCC(=O)N2CC(n3cc[nH+]c3)C2)CC1 ZINC000932825475 616174869 /nfs/dbraw/zinc/17/48/69/616174869.db2.gz CFIUSMWFGDKTRR-UHFFFAOYSA-N 2 2 278.356 0.377 20 0 CCADLP C[N@@H+]1CCC[C@@H](CCNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000868850394 616187356 /nfs/dbraw/zinc/18/73/56/616187356.db2.gz TUBWQZOULXKIBX-UJAVWCLSSA-N 2 2 295.427 0.723 20 0 CCADLP C[N@H+]1CCC[C@@H](CCNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000868850394 616187357 /nfs/dbraw/zinc/18/73/57/616187357.db2.gz TUBWQZOULXKIBX-UJAVWCLSSA-N 2 2 295.427 0.723 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000928072711 616193930 /nfs/dbraw/zinc/19/39/30/616193930.db2.gz GWOMNCYJNJRVKE-UPJWGTAASA-N 2 2 283.441 0.777 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000928072711 616193931 /nfs/dbraw/zinc/19/39/31/616193931.db2.gz GWOMNCYJNJRVKE-UPJWGTAASA-N 2 2 283.441 0.777 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928072711 616193932 /nfs/dbraw/zinc/19/39/32/616193932.db2.gz GWOMNCYJNJRVKE-UPJWGTAASA-N 2 2 283.441 0.777 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928072711 616193933 /nfs/dbraw/zinc/19/39/33/616193933.db2.gz GWOMNCYJNJRVKE-UPJWGTAASA-N 2 2 283.441 0.777 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+](CC(N)=O)C1CCOCC1 ZINC000880394783 616195178 /nfs/dbraw/zinc/19/51/78/616195178.db2.gz SUIZOTVMXCYYHM-GFCCVEGCSA-N 2 2 269.389 0.437 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+](CC(N)=O)C1CCOCC1 ZINC000880394783 616195179 /nfs/dbraw/zinc/19/51/79/616195179.db2.gz SUIZOTVMXCYYHM-GFCCVEGCSA-N 2 2 269.389 0.437 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@H+](CC(N)=O)C1CCOCC1 ZINC000880394783 616195180 /nfs/dbraw/zinc/19/51/80/616195180.db2.gz SUIZOTVMXCYYHM-GFCCVEGCSA-N 2 2 269.389 0.437 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@@H+](CC(N)=O)C1CCOCC1 ZINC000880394783 616195181 /nfs/dbraw/zinc/19/51/81/616195181.db2.gz SUIZOTVMXCYYHM-GFCCVEGCSA-N 2 2 269.389 0.437 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@H](O)C1(O)CCCC1 ZINC000931622844 616200794 /nfs/dbraw/zinc/20/07/94/616200794.db2.gz SWIBZPQCRYRGFZ-MCIONIFRSA-N 2 2 268.401 0.821 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@H](O)C1(O)CCCC1 ZINC000931622844 616200795 /nfs/dbraw/zinc/20/07/95/616200795.db2.gz SWIBZPQCRYRGFZ-MCIONIFRSA-N 2 2 268.401 0.821 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](O)C1(O)CCCC1 ZINC000931622844 616200796 /nfs/dbraw/zinc/20/07/96/616200796.db2.gz SWIBZPQCRYRGFZ-MCIONIFRSA-N 2 2 268.401 0.821 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@H](O)C1(O)CCCC1 ZINC000931622844 616200797 /nfs/dbraw/zinc/20/07/97/616200797.db2.gz SWIBZPQCRYRGFZ-MCIONIFRSA-N 2 2 268.401 0.821 20 0 CCADLP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCC(=O)NC1=O ZINC000799124873 616204946 /nfs/dbraw/zinc/20/49/46/616204946.db2.gz WQFVDTYINVFDPU-QWRGUYRKSA-N 2 2 253.346 0.065 20 0 CCADLP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCC(=O)NC1=O ZINC000799124873 616204947 /nfs/dbraw/zinc/20/49/47/616204947.db2.gz WQFVDTYINVFDPU-QWRGUYRKSA-N 2 2 253.346 0.065 20 0 CCADLP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@H]1CCC(=O)NC1=O ZINC000799124873 616204948 /nfs/dbraw/zinc/20/49/48/616204948.db2.gz WQFVDTYINVFDPU-QWRGUYRKSA-N 2 2 253.346 0.065 20 0 CCADLP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCC(=O)NC1=O ZINC000799124873 616204949 /nfs/dbraw/zinc/20/49/49/616204949.db2.gz WQFVDTYINVFDPU-QWRGUYRKSA-N 2 2 253.346 0.065 20 0 CCADLP C[NH+]1CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC000899905101 616221274 /nfs/dbraw/zinc/22/12/74/616221274.db2.gz RHQJLEIXTHYCGP-UHFFFAOYSA-N 2 2 295.427 0.651 20 0 CCADLP C[NH+]1CCN(C(=O)CC[NH2+]Cc2nccn2C2CC2)CC1 ZINC000892926978 616222540 /nfs/dbraw/zinc/22/25/40/616222540.db2.gz OYJKUWVVAMDDCM-UHFFFAOYSA-N 2 2 291.399 0.472 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000924839794 616223692 /nfs/dbraw/zinc/22/36/92/616223692.db2.gz PNNOAQDSXWXXFA-GDBMZVCRSA-N 2 2 295.427 0.555 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CC1 ZINC000921607892 616223740 /nfs/dbraw/zinc/22/37/40/616223740.db2.gz CILJRLXMHFVHAU-QLFBSQMISA-N 2 2 295.427 0.555 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000899904604 616227226 /nfs/dbraw/zinc/22/72/26/616227226.db2.gz MHUHSFPQLGMXCP-OLZOCXBDSA-N 2 2 251.374 0.777 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000899904604 616227227 /nfs/dbraw/zinc/22/72/27/616227227.db2.gz MHUHSFPQLGMXCP-OLZOCXBDSA-N 2 2 251.374 0.777 20 0 CCADLP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925604842 616232719 /nfs/dbraw/zinc/23/27/19/616232719.db2.gz AQPUHSSSCHYAFQ-CQSZACIVSA-N 3 2 280.460 0.887 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000827455895 616239021 /nfs/dbraw/zinc/23/90/21/616239021.db2.gz FJRJMZZESTVJLR-OAHLLOKOSA-N 2 2 294.443 0.319 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000827455895 616239022 /nfs/dbraw/zinc/23/90/22/616239022.db2.gz FJRJMZZESTVJLR-OAHLLOKOSA-N 2 2 294.443 0.319 20 0 CCADLP C[NH+]1CCN(C2CC[NH+](C[C@H](O)C(F)(F)F)CC2)CC1 ZINC000879596854 616239337 /nfs/dbraw/zinc/23/93/37/616239337.db2.gz SNKZNNZJALHRFB-LBPRGKRZSA-N 2 2 295.349 0.621 20 0 CCADLP C[NH+]1CCN(C2CCN(c3cc[nH+]cc3CO)CC2)CC1 ZINC000895027316 616239367 /nfs/dbraw/zinc/23/93/67/616239367.db2.gz FJBSVDOZZRRMQD-UHFFFAOYSA-N 2 2 290.411 0.790 20 0 CCADLP C[N@@H+]1CCN(CC[NH2+][C@@H]2CC[NH2+]C2(C)C)CC1(C)C ZINC000925663671 616241921 /nfs/dbraw/zinc/24/19/21/616241921.db2.gz WFGDZXPASDKZHD-CYBMUJFWSA-N 3 2 268.449 0.743 20 0 CCADLP C[N@H+]1CCN(CC[NH2+][C@@H]2CC[NH2+]C2(C)C)CC1(C)C ZINC000925663671 616241922 /nfs/dbraw/zinc/24/19/22/616241922.db2.gz WFGDZXPASDKZHD-CYBMUJFWSA-N 3 2 268.449 0.743 20 0 CCADLP CN1CCOC[C@@H]1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926760279 616248993 /nfs/dbraw/zinc/24/89/93/616248993.db2.gz LYINWVKTXDXDMW-SOUVJXGZSA-N 2 2 267.417 0.924 20 0 CCADLP CN1CCOC[C@@H]1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926760279 616248994 /nfs/dbraw/zinc/24/89/94/616248994.db2.gz LYINWVKTXDXDMW-SOUVJXGZSA-N 2 2 267.417 0.924 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000854726625 616264501 /nfs/dbraw/zinc/26/45/01/616264501.db2.gz QKAMVLBMYZEGGU-KGLIPLIRSA-N 2 2 281.400 0.261 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000854726625 616264502 /nfs/dbraw/zinc/26/45/02/616264502.db2.gz QKAMVLBMYZEGGU-KGLIPLIRSA-N 2 2 281.400 0.261 20 0 CCADLP C[N@@H+]1CC[C@@H]1CNC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000922397291 616293833 /nfs/dbraw/zinc/29/38/33/616293833.db2.gz JORHHLSJIJVMBU-LLVKDONJSA-N 2 2 277.372 0.723 20 0 CCADLP C[N@H+]1CC[C@@H]1CNC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000922397291 616293834 /nfs/dbraw/zinc/29/38/34/616293834.db2.gz JORHHLSJIJVMBU-LLVKDONJSA-N 2 2 277.372 0.723 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC000886615773 616323517 /nfs/dbraw/zinc/32/35/17/616323517.db2.gz NNCVXFFMXVSPML-MCIONIFRSA-N 2 2 284.400 0.765 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC000886615773 616323522 /nfs/dbraw/zinc/32/35/22/616323522.db2.gz NNCVXFFMXVSPML-MCIONIFRSA-N 2 2 284.400 0.765 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC[C@@H]21 ZINC000827246345 616326897 /nfs/dbraw/zinc/32/68/97/616326897.db2.gz QCTOIKBUAGAZMC-MJBXVCDLSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC[C@@H]21 ZINC000827246345 616326902 /nfs/dbraw/zinc/32/69/02/616326902.db2.gz QCTOIKBUAGAZMC-MJBXVCDLSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC[C@H]21 ZINC000827246342 616327643 /nfs/dbraw/zinc/32/76/43/616327643.db2.gz QCTOIKBUAGAZMC-BFHYXJOUSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC[C@H]21 ZINC000827246342 616327646 /nfs/dbraw/zinc/32/76/46/616327646.db2.gz QCTOIKBUAGAZMC-BFHYXJOUSA-N 2 2 288.395 0.998 20 0 CCADLP COCC[NH+]1CCC([NH2+][C@H]2C(=O)NCC2(C)C)CC1 ZINC000895315431 616327797 /nfs/dbraw/zinc/32/77/97/616327797.db2.gz GXIHSGHHFPPNGE-LBPRGKRZSA-N 2 2 269.389 0.211 20 0 CCADLP C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](O)c1c[nH+]c[nH]1)C2 ZINC000868633467 616351786 /nfs/dbraw/zinc/35/17/86/616351786.db2.gz FQCUKUOIZMBQPB-OCCSQVGLSA-N 2 2 278.356 0.387 20 0 CCADLP C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](O)c1c[nH+]c[nH]1)C2 ZINC000868633467 616351791 /nfs/dbraw/zinc/35/17/91/616351791.db2.gz FQCUKUOIZMBQPB-OCCSQVGLSA-N 2 2 278.356 0.387 20 0 CCADLP COC/C(C)=C/C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855417603 616366080 /nfs/dbraw/zinc/36/60/80/616366080.db2.gz LAGWRZSMJDFDML-ACCUITESSA-N 2 2 271.405 0.579 20 0 CCADLP COC/C(C)=C/C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855417603 616366084 /nfs/dbraw/zinc/36/60/84/616366084.db2.gz LAGWRZSMJDFDML-ACCUITESSA-N 2 2 271.405 0.579 20 0 CCADLP COC/C(C)=C/C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000929259747 616373118 /nfs/dbraw/zinc/37/31/18/616373118.db2.gz MGGUDLSKIJCZHL-WLRTZDKTSA-N 2 2 269.389 0.285 20 0 CCADLP COCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000968595839 616379222 /nfs/dbraw/zinc/37/92/22/616379222.db2.gz FHSASUZWVMTHJX-RISCZKNCSA-N 2 2 294.399 0.734 20 0 CCADLP COCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000968595839 616379226 /nfs/dbraw/zinc/37/92/26/616379226.db2.gz FHSASUZWVMTHJX-RISCZKNCSA-N 2 2 294.399 0.734 20 0 CCADLP C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@]2(C)C1 ZINC000887925035 616380998 /nfs/dbraw/zinc/38/09/98/616380998.db2.gz BMDPZNYIEKWVPG-ZENOOKHLSA-N 2 2 288.395 0.856 20 0 CCADLP C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@]2(C)C1 ZINC000887925035 616381000 /nfs/dbraw/zinc/38/10/00/616381000.db2.gz BMDPZNYIEKWVPG-ZENOOKHLSA-N 2 2 288.395 0.856 20 0 CCADLP C[N@@H+]1CC[C@H](CC(=O)NCCNc2cccc[nH+]2)C1 ZINC000895608312 616390697 /nfs/dbraw/zinc/39/06/97/616390697.db2.gz JQZWPDWKDKVUOL-GFCCVEGCSA-N 2 2 262.357 0.952 20 0 CCADLP C[N@H+]1CC[C@H](CC(=O)NCCNc2cccc[nH+]2)C1 ZINC000895608312 616390699 /nfs/dbraw/zinc/39/06/99/616390699.db2.gz JQZWPDWKDKVUOL-GFCCVEGCSA-N 2 2 262.357 0.952 20 0 CCADLP C[N@@H+]1CC[C@H]1CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000925432084 616424426 /nfs/dbraw/zinc/42/44/26/616424426.db2.gz SKXKDVPHQMOSOW-QWHCGFSZSA-N 2 2 277.372 0.761 20 0 CCADLP C[N@H+]1CC[C@H]1CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000925432084 616424429 /nfs/dbraw/zinc/42/44/29/616424429.db2.gz SKXKDVPHQMOSOW-QWHCGFSZSA-N 2 2 277.372 0.761 20 0 CCADLP COCC[N@H+]1[C@H](C)CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000844021470 616476256 /nfs/dbraw/zinc/47/62/56/616476256.db2.gz TZTZASNUPIFPMB-BETUJISGSA-N 2 2 280.372 0.451 20 0 CCADLP COCC[N@@H+]1[C@H](C)CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000844021470 616476259 /nfs/dbraw/zinc/47/62/59/616476259.db2.gz TZTZASNUPIFPMB-BETUJISGSA-N 2 2 280.372 0.451 20 0 CCADLP COC(=O)[C@@H]1[C@@H](C[N@H+](C)CCC[NH+](C)C)C1(F)F ZINC000894765365 616501774 /nfs/dbraw/zinc/50/17/74/616501774.db2.gz ZUPHLPVZFDVOHN-ZJUUUORDSA-N 2 2 264.316 0.924 20 0 CCADLP COC(=O)[C@@H]1[C@@H](C[N@@H+](C)CCC[NH+](C)C)C1(F)F ZINC000894765365 616501778 /nfs/dbraw/zinc/50/17/78/616501778.db2.gz ZUPHLPVZFDVOHN-ZJUUUORDSA-N 2 2 264.316 0.924 20 0 CCADLP COC(=O)[C@@H]1[C@@H](C[NH2+]CC[N@@H+]2CC[C@@H](C)C2)C1(F)F ZINC000894392899 616504751 /nfs/dbraw/zinc/50/47/51/616504751.db2.gz DXBTYALWIDWOPO-MXWKQRLJSA-N 2 2 276.327 0.972 20 0 CCADLP COC(=O)[C@@H]1[C@@H](C[NH2+]CC[N@H+]2CC[C@@H](C)C2)C1(F)F ZINC000894392899 616504754 /nfs/dbraw/zinc/50/47/54/616504754.db2.gz DXBTYALWIDWOPO-MXWKQRLJSA-N 2 2 276.327 0.972 20 0 CCADLP C[NH+]1C[C@]2(C)C[NH+](CCN3CCOC3=O)C[C@@]2(C)C1 ZINC000931305820 616513812 /nfs/dbraw/zinc/51/38/12/616513812.db2.gz HNHHKBOOVDRURT-ZIAGYGMSSA-N 2 2 267.373 0.712 20 0 CCADLP COC(=O)[C@@H]1[C@H](C[NH2+]C[C@H](C)[NH+](C)C)C1(F)F ZINC000894392416 616514977 /nfs/dbraw/zinc/51/49/77/616514977.db2.gz NROFKARSGCAHFO-CIUDSAMLSA-N 2 2 250.289 0.580 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H]2CCN2C)CC1 ZINC000896595676 616530360 /nfs/dbraw/zinc/53/03/60/616530360.db2.gz WZVVVVPKAPNQCC-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP CO[C@@H]1CC[C@@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000879355273 616685737 /nfs/dbraw/zinc/68/57/37/616685737.db2.gz BGHNANDKDQCAOJ-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CO[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000879355273 616685741 /nfs/dbraw/zinc/68/57/41/616685741.db2.gz BGHNANDKDQCAOJ-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CO[C@@H]1CC[C@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000879355275 616706827 /nfs/dbraw/zinc/70/68/27/616706827.db2.gz BGHNANDKDQCAOJ-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CO[C@@H]1CC[C@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000879355275 616706830 /nfs/dbraw/zinc/70/68/30/616706830.db2.gz BGHNANDKDQCAOJ-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP COC(=O)C[C@H]1CCC[N@@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903897030 616706949 /nfs/dbraw/zinc/70/69/49/616706949.db2.gz XYNHPGOVFUSZFW-DTWKUNHWSA-N 2 2 250.289 0.996 20 0 CCADLP COC(=O)C[C@H]1CCC[N@H+]1C[C@@H]([NH3+])CC(F)F ZINC000903897030 616706952 /nfs/dbraw/zinc/70/69/52/616706952.db2.gz XYNHPGOVFUSZFW-DTWKUNHWSA-N 2 2 250.289 0.996 20 0 CCADLP CO[C@@H]1C[N@H+](C[C@H](O)CCOC(C)C)[C@](C)(C[NH3+])C1 ZINC000923409189 616774833 /nfs/dbraw/zinc/77/48/33/616774833.db2.gz BIGDDVLXZOYLNB-RDBSUJKOSA-N 2 2 274.405 0.601 20 0 CCADLP CO[C@@H]1C[N@@H+](C[C@H](O)CCOC(C)C)[C@](C)(C[NH3+])C1 ZINC000923409189 616774837 /nfs/dbraw/zinc/77/48/37/616774837.db2.gz BIGDDVLXZOYLNB-RDBSUJKOSA-N 2 2 274.405 0.601 20 0 CCADLP COC(=O)[C@]12C[C@H]1CCC[N@@H+]2C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923551156 616806517 /nfs/dbraw/zinc/80/65/17/616806517.db2.gz JWXLWYJDJRZGJA-XUJVJEKNSA-N 2 2 280.368 0.392 20 0 CCADLP COC(=O)[C@]12C[C@H]1CCC[N@H+]2C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923551156 616806519 /nfs/dbraw/zinc/80/65/19/616806519.db2.gz JWXLWYJDJRZGJA-XUJVJEKNSA-N 2 2 280.368 0.392 20 0 CCADLP CO[C@@H]1COCC[C@H]1[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000880437359 616812971 /nfs/dbraw/zinc/81/29/71/616812971.db2.gz JTBBXUAILIQBNT-BFHYXJOUSA-N 2 2 272.389 0.177 20 0 CCADLP CO[C@@H]1COCC[C@H]1[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000880437359 616812976 /nfs/dbraw/zinc/81/29/76/616812976.db2.gz JTBBXUAILIQBNT-BFHYXJOUSA-N 2 2 272.389 0.177 20 0 CCADLP CO[C@@H]1COCC[C@H]1[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000880437359 616812978 /nfs/dbraw/zinc/81/29/78/616812978.db2.gz JTBBXUAILIQBNT-BFHYXJOUSA-N 2 2 272.389 0.177 20 0 CCADLP CO[C@@H]1COCC[C@H]1[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000880437359 616812982 /nfs/dbraw/zinc/81/29/82/616812982.db2.gz JTBBXUAILIQBNT-BFHYXJOUSA-N 2 2 272.389 0.177 20 0 CCADLP COC[C@@H](C[N@H+](C)CC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000931487883 616850743 /nfs/dbraw/zinc/85/07/43/616850743.db2.gz KBOMKZOCZBCPGA-CQSZACIVSA-N 2 2 285.432 0.611 20 0 CCADLP COC[C@@H](C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000931487883 616850746 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WMQQVMWPXVVFHF-RYUDHWBXSA-N 2 2 287.429 0.285 20 0 CCADLP C[C@H](O)C[NH2+]C1CCC(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001026592497 625477401 /nfs/dbraw/zinc/47/74/01/625477401.db2.gz CSMWGVAQJIIEIA-HIFPTAJRSA-N 2 2 294.399 0.360 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC001022775696 622743481 /nfs/dbraw/zinc/74/34/81/622743481.db2.gz FCLXTIYGCAKAGO-RWMBFGLXSA-N 2 2 292.383 0.616 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@@H]([NH2+]CCC2CC2)C1 ZINC001022888306 622834578 /nfs/dbraw/zinc/83/45/78/622834578.db2.gz HIBQLFDBNBHHSE-TXEJJXNPSA-N 2 2 262.357 0.989 20 0 CCADLP C[C@@H](CC(=O)N1CC[C@H]([N@H+](C)CCO)C1)n1cc[nH+]c1 ZINC000972451057 622847033 /nfs/dbraw/zinc/84/70/33/622847033.db2.gz VNDBNADRVBMMJC-STQMWFEESA-N 2 2 280.372 0.359 20 0 CCADLP C[C@@H](CC(=O)N1CC[C@H]([N@@H+](C)CCO)C1)n1cc[nH+]c1 ZINC000972451057 622847036 /nfs/dbraw/zinc/84/70/36/622847036.db2.gz VNDBNADRVBMMJC-STQMWFEESA-N 2 2 280.372 0.359 20 0 CCADLP O=C1N[C@@H](C[NH+]2CCCCC2)C(=O)N1CCn1cc[nH+]c1 ZINC000924442425 622853300 /nfs/dbraw/zinc/85/33/00/622853300.db2.gz PNBGCLDGHSHZET-LBPRGKRZSA-N 2 2 291.355 0.289 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892566669 623545173 /nfs/dbraw/zinc/54/51/73/623545173.db2.gz LVMKNWQOEYPANM-AAVRWANBSA-N 2 2 296.415 0.228 20 0 CCADLP C[C@H]1CC[N@H+](CCNC(=O)NCC[NH+]2CCO[C@@H](C)C2)C1 ZINC000892598228 623574753 /nfs/dbraw/zinc/57/47/53/623574753.db2.gz YQXBQMCAIZNAIC-KBPBESRZSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@H]1CC[N@@H+](CCNC(=O)NCC[NH+]2CCO[C@@H](C)C2)C1 ZINC000892598228 623574758 /nfs/dbraw/zinc/57/47/58/623574758.db2.gz YQXBQMCAIZNAIC-KBPBESRZSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@H]1CC[NH+](CCNC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000892598228 623574765 /nfs/dbraw/zinc/57/47/65/623574765.db2.gz YQXBQMCAIZNAIC-KBPBESRZSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@H]1CC[NH+](CCNC(=O)NCC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000892598228 623574774 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OC[C@@H]1CC[NH+]1C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000934011042 625002185 /nfs/dbraw/zinc/00/21/85/625002185.db2.gz IOTURQUNMYPNNZ-JKSUJKDBSA-N 2 2 276.380 0.690 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000892057028 625052025 /nfs/dbraw/zinc/05/20/25/625052025.db2.gz JKEGSAXHTRPZBR-CYBMUJFWSA-N 2 2 265.361 0.609 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000977646667 625955962 /nfs/dbraw/zinc/95/59/62/625955962.db2.gz MZMBPKZIZZDRDI-NEPJUHHUSA-N 2 2 280.372 0.091 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000977646667 625955967 /nfs/dbraw/zinc/95/59/67/625955967.db2.gz MZMBPKZIZZDRDI-NEPJUHHUSA-N 2 2 280.372 0.091 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000903479908 634576658 /nfs/dbraw/zinc/57/66/58/634576658.db2.gz ZGUWZGMJZUFZPQ-RCWTZXSCSA-N 3 2 265.323 0.911 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000903479908 634576668 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C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC([NH+](C)C)C1 ZINC000863912845 645142667 /nfs/dbraw/zinc/14/26/67/645142667.db2.gz CNLUDBBQDBWMHG-BMQDGWLCSA-N 2 2 250.346 0.797 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC([NH+](C)C)C1 ZINC000863912845 645142669 /nfs/dbraw/zinc/14/26/69/645142669.db2.gz CNLUDBBQDBWMHG-BMQDGWLCSA-N 2 2 250.346 0.797 20 0 CCADLP CC(C)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001019562316 650987856 /nfs/dbraw/zinc/98/78/56/650987856.db2.gz VJWGBINEDQQIQX-NSHDSACASA-N 2 2 250.346 0.799 20 0 CCADLP C[C@@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)CN1CC[NH+](C)CC1 ZINC000925493231 645208112 /nfs/dbraw/zinc/20/81/12/645208112.db2.gz WBNWCVVRJHYYIU-KBPBESRZSA-N 3 2 268.449 0.600 20 0 CCADLP O=c1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c[nH]1 ZINC000865451290 645368922 /nfs/dbraw/zinc/36/89/22/645368922.db2.gz XKZJCAPIYAHGHE-OLZOCXBDSA-N 2 2 263.341 0.740 20 0 CCADLP O=c1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c[nH]1 ZINC000865451290 645368927 /nfs/dbraw/zinc/36/89/27/645368927.db2.gz XKZJCAPIYAHGHE-OLZOCXBDSA-N 2 2 263.341 0.740 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001020312859 651059039 /nfs/dbraw/zinc/05/90/39/651059039.db2.gz WEMRNZSDPHKCIV-YVECIDJPSA-N 2 2 292.383 0.063 20 0 CCADLP C[C@@H](NC(=O)[C@H]1CC[C@@H]([NH3+])CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000870882463 646035046 /nfs/dbraw/zinc/03/50/46/646035046.db2.gz NRPDKNPIIKZQSX-SYQHCUMBSA-N 2 2 283.416 0.729 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000871599739 646157640 /nfs/dbraw/zinc/15/76/40/646157640.db2.gz BWNIMMHGOJWBOO-SGMGOOAPSA-N 2 2 277.372 0.523 20 0 CCADLP [NH3+]CC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC000872146179 646212036 /nfs/dbraw/zinc/21/20/36/646212036.db2.gz HOCRDOAQLMYZTK-FRRDWIJNSA-N 2 2 269.389 0.077 20 0 CCADLP [NH3+]CC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC000872146179 646212040 /nfs/dbraw/zinc/21/20/40/646212040.db2.gz HOCRDOAQLMYZTK-FRRDWIJNSA-N 2 2 269.389 0.077 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccnc(-n2cncn2)c1 ZINC000873238418 646364086 /nfs/dbraw/zinc/36/40/86/646364086.db2.gz YNAGHJZHDCRTKN-YPMHNXCESA-N 2 2 272.356 0.750 20 0 CCADLP C[C@@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)[C@@H]1CCCC[NH2+]1 ZINC000873250086 646365759 /nfs/dbraw/zinc/36/57/59/646365759.db2.gz OZRSLGBEMPFSMX-MBNYWOFBSA-N 2 2 283.372 0.328 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)CCO1 ZINC000124557335 646384327 /nfs/dbraw/zinc/38/43/27/646384327.db2.gz TVUVFSYVVNBTFU-UTUOFQBUSA-N 2 2 255.362 0.045 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)CCO1 ZINC000124557335 646384330 /nfs/dbraw/zinc/38/43/30/646384330.db2.gz TVUVFSYVVNBTFU-UTUOFQBUSA-N 2 2 255.362 0.045 20 0 CCADLP C[C@H](CNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1)Cn1cc[nH+]c1 ZINC000876730599 646652090 /nfs/dbraw/zinc/65/20/90/646652090.db2.gz HRVZUBPUHLGUST-UTUOFQBUSA-N 2 2 268.336 0.583 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876731822 646653127 /nfs/dbraw/zinc/65/31/27/646653127.db2.gz UNWYAGNMXUAEDX-OUAUKWLOSA-N 2 2 250.346 0.761 20 0 CCADLP O=C(NCc1ccn2cc[nH+]c2c1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876768725 646660338 /nfs/dbraw/zinc/66/03/38/646660338.db2.gz YBCMBOGHAQVSJL-YPMHNXCESA-N 2 2 276.315 0.898 20 0 CCADLP [NH3+]C[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)C1CCCC1 ZINC000876913211 646694907 /nfs/dbraw/zinc/69/49/07/646694907.db2.gz ORZFYYYXUUPJAH-XSHSDMCLSA-N 2 2 281.400 0.509 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)/C=C\C[NH+]2CCOCC2)C[NH2+]1 ZINC000877046413 646722358 /nfs/dbraw/zinc/72/23/58/646722358.db2.gz LOORGTVYINIQPD-LLGAQUFESA-N 2 2 267.373 0.132 20 0 CCADLP [NH3+][C@H]1CC[C@H](NC(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000877292867 646781564 /nfs/dbraw/zinc/78/15/64/646781564.db2.gz FMFGHRFSORIVGH-VYTNXIJVSA-N 2 2 267.373 0.261 20 0 CCADLP Cn1c[nH+]cc1[C@H]1CCCCN1S(=O)(=O)C1C[NH2+]C1 ZINC000923673191 646921629 /nfs/dbraw/zinc/92/16/29/646921629.db2.gz IFJBILZUXBKNTB-LLVKDONJSA-N 2 2 284.385 0.249 20 0 CCADLP Nc1nnc([C@H]2CCC[N@H+](C[C@H](O)C[NH+]3CCCC3)C2)o1 ZINC000878946963 647002210 /nfs/dbraw/zinc/00/22/10/647002210.db2.gz HMMAYARDOPCNAJ-NWDGAFQWSA-N 2 2 295.387 0.288 20 0 CCADLP Nc1nnc([C@H]2CCC[N@@H+](C[C@H](O)C[NH+]3CCCC3)C2)o1 ZINC000878946963 647002214 /nfs/dbraw/zinc/00/22/14/647002214.db2.gz HMMAYARDOPCNAJ-NWDGAFQWSA-N 2 2 295.387 0.288 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC([C@@H](F)C(N)=O)CC1 ZINC000879044479 647019150 /nfs/dbraw/zinc/01/91/50/647019150.db2.gz RNGFGDOJOLKECX-CHWSQXEVSA-N 2 2 289.395 0.223 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC([C@@H](F)C(N)=O)CC1 ZINC000879044479 647019153 /nfs/dbraw/zinc/01/91/53/647019153.db2.gz RNGFGDOJOLKECX-CHWSQXEVSA-N 2 2 289.395 0.223 20 0 CCADLP O=S1(=O)C[C@H]2C[N@@H+](CCCn3cc[nH+]c3)CC[C@@H]2C1 ZINC000879937304 647129054 /nfs/dbraw/zinc/12/90/54/647129054.db2.gz DHMRJFRNHCXLDK-CHWSQXEVSA-N 2 2 283.397 0.640 20 0 CCADLP O=S1(=O)C[C@H]2C[N@H+](CCCn3cc[nH+]c3)CC[C@@H]2C1 ZINC000879937304 647129057 /nfs/dbraw/zinc/12/90/57/647129057.db2.gz DHMRJFRNHCXLDK-CHWSQXEVSA-N 2 2 283.397 0.640 20 0 CCADLP Cc1nc(N2CCN(c3cc[nH+]cc3)[C@H](C)C2)nc(N)[nH+]1 ZINC000882820757 647452591 /nfs/dbraw/zinc/45/25/91/647452591.db2.gz ZKTLTLHBBBVPEW-SNVBAGLBSA-N 2 2 285.355 0.872 20 0 CCADLP c1ncc2c(n1)CC[N@@H+](C[C@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000883462703 647530590 /nfs/dbraw/zinc/53/05/90/647530590.db2.gz XPMPAMAZHMVMLP-GFCCVEGCSA-N 2 2 260.341 0.356 20 0 CCADLP c1ncc2c(n1)CC[N@H+](C[C@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000883462703 647530592 /nfs/dbraw/zinc/53/05/92/647530592.db2.gz XPMPAMAZHMVMLP-GFCCVEGCSA-N 2 2 260.341 0.356 20 0 CCADLP Cn1cc([C@H](O)C[NH2+][C@H]2CC[NH2+]C23CCC3)cn1 ZINC000925514441 648440076 /nfs/dbraw/zinc/44/00/76/648440076.db2.gz FKPSOZZZZCNCBZ-NEPJUHHUSA-N 2 2 250.346 0.328 20 0 CCADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCNC(=O)c1ccco1 ZINC000925520411 648440465 /nfs/dbraw/zinc/44/04/65/648440465.db2.gz VGABDRBZOXFYNN-MNOVXSKESA-N 2 2 251.330 0.740 20 0 CCADLP Cn1cc([C@H](O)C[NH2+][C@H]2CC[NH2+]C23CCCC3)cn1 ZINC000925518198 648440800 /nfs/dbraw/zinc/44/08/00/648440800.db2.gz QAGNVQVREYFBLY-OLZOCXBDSA-N 2 2 264.373 0.718 20 0 CCADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925549536 648442169 /nfs/dbraw/zinc/44/21/69/648442169.db2.gz MTGGBAAQHLPLTA-UONOGXRCSA-N 3 2 266.433 0.497 20 0 CCADLP c1c(CN[C@@H]2C[NH2+]CCOC2)[nH+]c2n1CCCC2 ZINC000925573408 648443319 /nfs/dbraw/zinc/44/33/19/648443319.db2.gz ACFZJHYEHNLASM-GFCCVEGCSA-N 2 2 250.346 0.297 20 0 CCADLP OC1(c2cccnc2)CCC([NH2+][C@H]2C[NH2+]CCOC2)CC1 ZINC000925643516 648450217 /nfs/dbraw/zinc/45/02/17/648450217.db2.gz WAKQEJFTYBWTEX-PCKAHOCUSA-N 2 2 291.395 0.790 20 0 CCADLP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925641260 648450225 /nfs/dbraw/zinc/45/02/25/648450225.db2.gz LPPLCODORYUTPG-GJZGRUSLSA-N 3 2 280.460 0.887 20 0 CCADLP Cn1ccn2c(C[NH2+][C@H]3CCCC[C@@H]3C[NH3+])nnc2c1=O ZINC000925765685 648459423 /nfs/dbraw/zinc/45/94/23/648459423.db2.gz GBVXMXNVCGHJFN-MNOVXSKESA-N 2 2 290.371 0.035 20 0 CCADLP CS(=O)(=O)C1CCC(C[NH2+][C@H]2C[NH2+]CCOC2)CC1 ZINC000925799184 648462063 /nfs/dbraw/zinc/46/20/63/648462063.db2.gz NJQHFFBHKLIQKS-CPCZMJQVSA-N 2 2 290.429 0.168 20 0 CCADLP C[C@H]1CC2(CC([NH2+]CCC[N@@H+]3CCC[C@H]3C(N)=O)C2)CO1 ZINC000926751253 648524090 /nfs/dbraw/zinc/52/40/90/648524090.db2.gz ZWMOOGKEUPHWJK-REWIBIJMSA-N 2 2 295.427 0.873 20 0 CCADLP C[C@H]1CC2(CC([NH2+]CCC[N@H+]3CCC[C@H]3C(N)=O)C2)CO1 ZINC000926751253 648524094 /nfs/dbraw/zinc/52/40/94/648524094.db2.gz ZWMOOGKEUPHWJK-REWIBIJMSA-N 2 2 295.427 0.873 20 0 CCADLP Cc1[nH]c(CN2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)c(C)[nH+]1 ZINC000930742712 648898551 /nfs/dbraw/zinc/89/85/51/648898551.db2.gz ITNRWWFZBWOWLJ-MNOVXSKESA-N 2 2 266.389 0.913 20 0 CCADLP Cc1[nH]c(CN2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)c(C)[nH+]1 ZINC000930742712 648898553 /nfs/dbraw/zinc/89/85/53/648898553.db2.gz ITNRWWFZBWOWLJ-MNOVXSKESA-N 2 2 266.389 0.913 20 0 CCADLP CO[C@H](C)C[NH+]1CCC(N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC001006473800 649529210 /nfs/dbraw/zinc/52/92/10/649529210.db2.gz ZLNUDVHYGJRVOJ-CYBMUJFWSA-N 2 2 294.399 0.841 20 0 CCADLP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000094752765 649748182 /nfs/dbraw/zinc/74/81/82/649748182.db2.gz SYVSBMMJMKLTRS-NWDGAFQWSA-N 2 2 250.346 0.907 20 0 CCADLP Cc1nc(N2CCN3CC[NH2+]C[C@@H]3C2)c2c([nH+]1)CCC2 ZINC001164405864 718837551 /nfs/dbraw/zinc/83/75/51/718837551.db2.gz QGCICOCBPCDNJL-GFCCVEGCSA-N 2 2 273.384 0.368 20 0 CCADLP COCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001230347532 805595876 /nfs/dbraw/zinc/59/58/76/805595876.db2.gz DZCCBRPBFCLTQI-CHWSQXEVSA-N 2 2 280.372 0.547 20 0 CCADLP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CCF)C1)[NH+](C)C ZINC001266325771 790511132 /nfs/dbraw/zinc/51/11/32/790511132.db2.gz RPLNBJMGSMYCCZ-NEPJUHHUSA-N 2 2 259.369 0.733 20 0 CCADLP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCF)C1)[NH+](C)C ZINC001266325771 790511138 /nfs/dbraw/zinc/51/11/38/790511138.db2.gz RPLNBJMGSMYCCZ-NEPJUHHUSA-N 2 2 259.369 0.733 20 0 CCADLP CCC[N@@H+]1CC[C@@H](C[NH2+]CCS(=O)(=O)CC)C1 ZINC000693003507 790627216 /nfs/dbraw/zinc/62/72/16/790627216.db2.gz HBMVOPSPQWPRCL-LBPRGKRZSA-N 2 2 262.419 0.743 20 0 CCADLP CCC[N@H+]1CC[C@@H](C[NH2+]CCS(=O)(=O)CC)C1 ZINC000693003507 790627220 /nfs/dbraw/zinc/62/72/20/790627220.db2.gz HBMVOPSPQWPRCL-LBPRGKRZSA-N 2 2 262.419 0.743 20 0 CCADLP Cc1nc(C)c(C[NH2+]CCCNC(=O)Cc2c[nH]c[nH+]2)o1 ZINC001167345935 790931627 /nfs/dbraw/zinc/93/16/27/790931627.db2.gz DGYCPBLDLMXHJB-UHFFFAOYSA-N 2 2 291.355 0.853 20 0 CCADLP C[C@@H]([NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1)c1cnccn1 ZINC001167346885 790935785 /nfs/dbraw/zinc/93/57/85/790935785.db2.gz TYIHEMNBFIOGJP-LLVKDONJSA-N 2 2 288.355 0.599 20 0 CCADLP COCCCC[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167349577 790944012 /nfs/dbraw/zinc/94/40/12/790944012.db2.gz BNISVGPOZZJKCY-UHFFFAOYSA-N 2 2 268.361 0.475 20 0 CCADLP COCC[N@H+](CCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001266622333 791046368 /nfs/dbraw/zinc/04/63/68/791046368.db2.gz ZIGGKTYPUOSZGE-UHFFFAOYSA-N 2 2 266.345 0.110 20 0 CCADLP COCC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001266622333 791046378 /nfs/dbraw/zinc/04/63/78/791046378.db2.gz ZIGGKTYPUOSZGE-UHFFFAOYSA-N 2 2 266.345 0.110 20 0 CCADLP C[C@H](CC(=O)NCCC[NH2+]C[C@@H]1CCOC1)n1cc[nH+]c1 ZINC001167428004 791061492 /nfs/dbraw/zinc/06/14/92/791061492.db2.gz FIKRNHMMOUXBOQ-KGLIPLIRSA-N 2 2 294.399 0.967 20 0 CCADLP CC[NH2+]CCCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001161323553 791099954 /nfs/dbraw/zinc/09/99/54/791099954.db2.gz NXUAKJFJIXUEKM-NSHDSACASA-N 2 2 264.373 0.939 20 0 CCADLP CC[NH2+]CCCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001161323553 791099967 /nfs/dbraw/zinc/09/99/67/791099967.db2.gz NXUAKJFJIXUEKM-NSHDSACASA-N 2 2 264.373 0.939 20 0 CCADLP CC(C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001087141863 791111294 /nfs/dbraw/zinc/11/12/94/791111294.db2.gz YQMNWZMPQLRKGW-ILXRZTDVSA-N 2 2 297.443 0.942 20 0 CCADLP CC(C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001087141863 791111296 /nfs/dbraw/zinc/11/12/96/791111296.db2.gz YQMNWZMPQLRKGW-ILXRZTDVSA-N 2 2 297.443 0.942 20 0 CCADLP c1cn(CC[N@@H+]2CCO[C@H]3CN(c4cc[nH+]cc4)C[C@@H]32)cn1 ZINC001277694684 805963975 /nfs/dbraw/zinc/96/39/75/805963975.db2.gz TYOCVOIVMCORPX-HOTGVXAUSA-N 2 2 299.378 0.868 20 0 CCADLP c1cn(CC[N@H+]2CCO[C@H]3CN(c4cc[nH+]cc4)C[C@@H]32)cn1 ZINC001277694684 805963976 /nfs/dbraw/zinc/96/39/76/805963976.db2.gz TYOCVOIVMCORPX-HOTGVXAUSA-N 2 2 299.378 0.868 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)c2cccnc2Cl)CC1 ZINC000721957419 806015397 /nfs/dbraw/zinc/01/53/97/806015397.db2.gz WOGRFGRBXXMFBF-UHFFFAOYSA-N 2 2 282.775 0.888 20 0 CCADLP CCO[C@@H]1C[C@H]2CN(Cc3cccc(N)[nH+]3)CC[N@@H+]2C1 ZINC001233370968 806049183 /nfs/dbraw/zinc/04/91/83/806049183.db2.gz ULATXVIRIDHNCK-UONOGXRCSA-N 2 2 276.384 0.959 20 0 CCADLP CCO[C@@H]1C[C@H]2CN(Cc3cccc(N)[nH+]3)CC[N@H+]2C1 ZINC001233370968 806049193 /nfs/dbraw/zinc/04/91/93/806049193.db2.gz ULATXVIRIDHNCK-UONOGXRCSA-N 2 2 276.384 0.959 20 0 CCADLP C[NH+](C)C[C@@H]1COCCN1Cc1cccc(N)[nH+]1 ZINC001233372339 806049821 /nfs/dbraw/zinc/04/98/21/806049821.db2.gz JIHNWPQAOIAVSF-GFCCVEGCSA-N 2 2 250.346 0.426 20 0 CCADLP CN(CC[NH2+]CC[C@H]1CCCCO1)C(=O)Cc1c[nH+]c[nH]1 ZINC001266846923 791284318 /nfs/dbraw/zinc/28/43/18/791284318.db2.gz MPWTUDRJUDRERJ-CQSZACIVSA-N 2 2 294.399 0.959 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724024624 791376842 /nfs/dbraw/zinc/37/68/42/791376842.db2.gz FFQRWHSSHSKJFO-SFYZADRCSA-N 2 2 294.264 0.447 20 0 CCADLP COCC[NH2+]CC1(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001167528887 791510364 /nfs/dbraw/zinc/51/03/64/791510364.db2.gz PUYRRISEAIRLKL-UHFFFAOYSA-N 2 2 280.372 0.475 20 0 CCADLP CN(CC[NH2+]Cc1cnon1)C(=O)CCC[NH+]1CCCC1 ZINC001267109820 791551020 /nfs/dbraw/zinc/55/10/20/791551020.db2.gz MKQHWGMWRZXZAP-UHFFFAOYSA-N 2 2 295.387 0.494 20 0 CCADLP Cc1[nH]c(CN2CC([N@@H+](C)[C@H]3CCOC3)C2)c(C)[nH+]1 ZINC001234636003 806291421 /nfs/dbraw/zinc/29/14/21/806291421.db2.gz TVHCXCIMEPONBY-LBPRGKRZSA-N 2 2 264.373 0.931 20 0 CCADLP Cc1[nH]c(CN2CC([N@H+](C)[C@H]3CCOC3)C2)c(C)[nH+]1 ZINC001234636003 806291429 /nfs/dbraw/zinc/29/14/29/806291429.db2.gz TVHCXCIMEPONBY-LBPRGKRZSA-N 2 2 264.373 0.931 20 0 CCADLP c1c(C[N@@H+]2CCO[C@@H]3C[NH2+]C[C@@H]3C2)sc2c1C[NH2+]CC2 ZINC001234971727 806321374 /nfs/dbraw/zinc/32/13/74/806321374.db2.gz ULYUAKALBDPJQO-TZMCWYRMSA-N 3 2 293.436 0.814 20 0 CCADLP c1c(C[N@H+]2CCO[C@@H]3C[NH2+]C[C@@H]3C2)sc2c1C[NH2+]CC2 ZINC001234971727 806321382 /nfs/dbraw/zinc/32/13/82/806321382.db2.gz ULYUAKALBDPJQO-TZMCWYRMSA-N 3 2 293.436 0.814 20 0 CCADLP c1cc2n(c1C[N@@H+]1CCN[C@@]3(CC[NH2+]C3)C1)CCC2 ZINC001235060200 806361944 /nfs/dbraw/zinc/36/19/44/806361944.db2.gz FSPCMRDCCZCCPD-OAHLLOKOSA-N 2 2 260.385 0.572 20 0 CCADLP c1cc2n(c1C[N@H+]1CCN[C@@]3(CC[NH2+]C3)C1)CCC2 ZINC001235060200 806361951 /nfs/dbraw/zinc/36/19/51/806361951.db2.gz FSPCMRDCCZCCPD-OAHLLOKOSA-N 2 2 260.385 0.572 20 0 CCADLP Cn1cnc2ccc(C[N@@H+]3CCN[C@@]4(CC[NH2+]C4)C3)cc21 ZINC001235063737 806366140 /nfs/dbraw/zinc/36/61/40/806366140.db2.gz RHDIOQSIDDTFSQ-MRXNPFEDSA-N 2 2 285.395 0.711 20 0 CCADLP Cn1cnc2ccc(C[N@H+]3CCN[C@@]4(CC[NH2+]C4)C3)cc21 ZINC001235063737 806366150 /nfs/dbraw/zinc/36/61/50/806366150.db2.gz RHDIOQSIDDTFSQ-MRXNPFEDSA-N 2 2 285.395 0.711 20 0 CCADLP C(C[N@@H+]1CCCC[C@@]12CC[NH2+]C2)[C@H]1C[NH2+]CCO1 ZINC001235122626 806373947 /nfs/dbraw/zinc/37/39/47/806373947.db2.gz HNZKZHPKKOTISI-KBPBESRZSA-N 3 2 253.390 0.583 20 0 CCADLP C(C[N@H+]1CCCC[C@@]12CC[NH2+]C2)[C@H]1C[NH2+]CCO1 ZINC001235122626 806373956 /nfs/dbraw/zinc/37/39/56/806373956.db2.gz HNZKZHPKKOTISI-KBPBESRZSA-N 3 2 253.390 0.583 20 0 CCADLP CC[NH2+]CC[N@@H+]1C[C@@H]2CC[NH2+]CC[C@]2(C(=O)OCC)C1 ZINC001235351350 806412600 /nfs/dbraw/zinc/41/26/00/806412600.db2.gz XIZMVXVQBZRUSF-ZFWWWQNUSA-N 3 2 283.416 0.461 20 0 CCADLP CC[NH2+]CC[N@H+]1C[C@@H]2CC[NH2+]CC[C@]2(C(=O)OCC)C1 ZINC001235351350 806412605 /nfs/dbraw/zinc/41/26/05/806412605.db2.gz XIZMVXVQBZRUSF-ZFWWWQNUSA-N 3 2 283.416 0.461 20 0 CCADLP F[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCN[C@@H](C(F)(F)F)C1 ZINC001246078208 807143735 /nfs/dbraw/zinc/14/37/35/807143735.db2.gz AETDHMHHYNRGDO-DOLQZWNJSA-N 2 2 269.286 0.959 20 0 CCADLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+](CCO)C2)C1 ZINC001235487734 806433890 /nfs/dbraw/zinc/43/38/90/806433890.db2.gz YKLCJEDDMHGENV-CQSZACIVSA-N 2 2 272.389 0.040 20 0 CCADLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+](CCO)C2)C1 ZINC001235487734 806433893 /nfs/dbraw/zinc/43/38/93/806433893.db2.gz YKLCJEDDMHGENV-CQSZACIVSA-N 2 2 272.389 0.040 20 0 CCADLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+](CCO)C2)C1 ZINC001235487734 806433894 /nfs/dbraw/zinc/43/38/94/806433894.db2.gz YKLCJEDDMHGENV-CQSZACIVSA-N 2 2 272.389 0.040 20 0 CCADLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+](CCO)C2)C1 ZINC001235487734 806433897 /nfs/dbraw/zinc/43/38/97/806433897.db2.gz YKLCJEDDMHGENV-CQSZACIVSA-N 2 2 272.389 0.040 20 0 CCADLP COCCN1CC[C@@]2(CCC[N@H+](C[C@H](C)[NH3+])C2)C1=O ZINC001235544029 806451394 /nfs/dbraw/zinc/45/13/94/806451394.db2.gz HAMQUJWHMBVLQX-GXTWGEPZSA-N 2 2 269.389 0.295 20 0 CCADLP COCCN1CC[C@@]2(CCC[N@@H+](C[C@H](C)[NH3+])C2)C1=O ZINC001235544029 806451399 /nfs/dbraw/zinc/45/13/99/806451399.db2.gz HAMQUJWHMBVLQX-GXTWGEPZSA-N 2 2 269.389 0.295 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC3(CCCC(=O)N3)CC2)O1 ZINC001235566478 806457214 /nfs/dbraw/zinc/45/72/14/806457214.db2.gz RKVRCZBRFFECJJ-LBPRGKRZSA-N 2 2 281.400 0.846 20 0 CCADLP CCN1CC2(CC[NH+](C[C@H](C)[NH3+])CC2)[C@H](COC)C1=O ZINC001235585741 806464850 /nfs/dbraw/zinc/46/48/50/806464850.db2.gz XYQPFNNNWZVKII-QWHCGFSZSA-N 2 2 283.416 0.541 20 0 CCADLP CN(C)c1ccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c(F)n1 ZINC001236000587 806526523 /nfs/dbraw/zinc/52/65/23/806526523.db2.gz YGMPVFHQJGCFOX-ONXXMXGDSA-N 2 2 294.374 0.692 20 0 CCADLP CN(C)c1ccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c(F)n1 ZINC001236000587 806526528 /nfs/dbraw/zinc/52/65/28/806526528.db2.gz YGMPVFHQJGCFOX-ONXXMXGDSA-N 2 2 294.374 0.692 20 0 CCADLP CCOC(=O)[C@]12C[N@H+](Cc3ccnn3C)C[C@H]1C[NH2+]CC2 ZINC001236037992 806531970 /nfs/dbraw/zinc/53/19/70/806531970.db2.gz DQJINZLTMBNGJX-IUODEOHRSA-N 2 2 292.383 0.395 20 0 CCADLP CCOC(=O)[C@]12C[N@@H+](Cc3ccnn3C)C[C@H]1C[NH2+]CC2 ZINC001236037992 806531976 /nfs/dbraw/zinc/53/19/76/806531976.db2.gz DQJINZLTMBNGJX-IUODEOHRSA-N 2 2 292.383 0.395 20 0 CCADLP COC(=O)[C@@H]1C[NH2+]CCN1Cc1[nH+]c2ccccn2c1C ZINC001236055097 806537245 /nfs/dbraw/zinc/53/72/45/806537245.db2.gz NNRBTISOSWYFIP-ZDUSSCGKSA-N 2 2 288.351 0.590 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cccn2cc[nH+]c12 ZINC001236197607 806550440 /nfs/dbraw/zinc/55/04/40/806550440.db2.gz KQYUJHKNOAAKTL-NEPJUHHUSA-N 2 2 274.324 0.409 20 0 CCADLP COC(=O)[C@H]1C[N@H+](CC2(C)CCOCC2)C[C@H]1[NH3+] ZINC001236342838 806573562 /nfs/dbraw/zinc/57/35/62/806573562.db2.gz NUVWYRGHKUNRIN-WDEREUQCSA-N 2 2 256.346 0.235 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](CC2(C)CCOCC2)C[C@H]1[NH3+] ZINC001236342838 806573564 /nfs/dbraw/zinc/57/35/64/806573564.db2.gz NUVWYRGHKUNRIN-WDEREUQCSA-N 2 2 256.346 0.235 20 0 CCADLP C([NH2+][C@H]1CCCOC1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246126369 807159943 /nfs/dbraw/zinc/15/99/43/807159943.db2.gz LGHDRYDVQFWITN-OLZOCXBDSA-N 3 2 253.390 0.629 20 0 CCADLP COC[C@H]([NH3+])C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001121915971 799093343 /nfs/dbraw/zinc/09/33/43/799093343.db2.gz NKRRFABOODVKOK-NSHDSACASA-N 2 2 252.318 0.020 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001121937576 799100677 /nfs/dbraw/zinc/10/06/77/799100677.db2.gz OENLSXHAPFLISC-WRWGMCAJSA-N 2 2 260.341 0.201 20 0 CCADLP CC[NH+](CC)CCSCC(=O)NOC[C@H](C)[NH3+] ZINC001122153190 799156188 /nfs/dbraw/zinc/15/61/88/799156188.db2.gz CXHCTTRVVDLNLG-JTQLQIEISA-N 2 2 263.407 0.456 20 0 CCADLP Cc1nscc1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001122239999 799176891 /nfs/dbraw/zinc/17/68/91/799176891.db2.gz RVGWGORZPOQJAR-UHFFFAOYSA-N 2 2 268.386 0.604 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]([NH3+])C1CC1 ZINC001122254298 799180285 /nfs/dbraw/zinc/18/02/85/799180285.db2.gz ODNSFQSLSXAJJW-QWHCGFSZSA-N 2 2 269.389 0.341 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC1CC2(C1)CC([NH2+]CCCO)C2 ZINC001122290041 799188351 /nfs/dbraw/zinc/18/83/51/799188351.db2.gz FGQQENIPNHTFQN-UHFFFAOYSA-N 2 2 292.383 0.283 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@]12CC[NH2+]C2 ZINC001122324579 799199113 /nfs/dbraw/zinc/19/91/13/799199113.db2.gz PQPSORBBICSQSW-JTNHKYCSSA-N 2 2 260.341 0.868 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@]12CC[NH2+]C2 ZINC001122324579 799199116 /nfs/dbraw/zinc/19/91/16/799199116.db2.gz PQPSORBBICSQSW-JTNHKYCSSA-N 2 2 260.341 0.868 20 0 CCADLP COCC[C@@H]1C[NH2+]CCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001122403549 799224950 /nfs/dbraw/zinc/22/49/50/799224950.db2.gz WFUAFAXTRYYWSF-LLVKDONJSA-N 2 2 266.345 0.098 20 0 CCADLP C[NH2+]CCCC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC001122526047 799256781 /nfs/dbraw/zinc/25/67/81/799256781.db2.gz PAUWNMUELDQMBR-GFCCVEGCSA-N 2 2 257.378 0.165 20 0 CCADLP OC[C@@H]1CC[N@H+](Cc2cccc3c[nH+]cn32)C[C@H]1O ZINC001238104464 806750800 /nfs/dbraw/zinc/75/08/00/806750800.db2.gz VRXOICVZOQGXOG-SMDDNHRTSA-N 2 2 261.325 0.509 20 0 CCADLP OC[C@@H]1CC[N@@H+](Cc2cccc3c[nH+]cn32)C[C@H]1O ZINC001238104464 806750805 /nfs/dbraw/zinc/75/08/05/806750805.db2.gz VRXOICVZOQGXOG-SMDDNHRTSA-N 2 2 261.325 0.509 20 0 CCADLP O=C1NCC2(CC[NH+](Cc3cccc4c[nH+]cn43)CC2)N1 ZINC001238111313 806752103 /nfs/dbraw/zinc/75/21/03/806752103.db2.gz UINAPLDPLJOVCL-UHFFFAOYSA-N 2 2 285.351 0.982 20 0 CCADLP C[C@H]1C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)s2)C[C@H]1O ZINC001139319711 799804225 /nfs/dbraw/zinc/80/42/25/799804225.db2.gz MFXCFLMRKLEXPS-WCQYABFASA-N 2 2 296.440 0.708 20 0 CCADLP C[C@H]1C[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)s2)C[C@H]1O ZINC001139319711 799804229 /nfs/dbraw/zinc/80/42/29/799804229.db2.gz MFXCFLMRKLEXPS-WCQYABFASA-N 2 2 296.440 0.708 20 0 CCADLP CC[NH+]1C[C@H]2C[NH+](Cc3c(CO)cnc(C)c3O)C[C@@H]2C1 ZINC001140872201 799953861 /nfs/dbraw/zinc/95/38/61/799953861.db2.gz UAUWKDQJMMZSHL-KBPBESRZSA-N 2 2 291.395 0.971 20 0 CCADLP CC[N@@H+]1CC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCO ZINC001141311211 799999878 /nfs/dbraw/zinc/99/98/78/799999878.db2.gz BBPOBNJRPWLXCP-STQMWFEESA-N 2 2 269.389 0.044 20 0 CCADLP CC[N@H+]1CC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCO ZINC001141311211 799999883 /nfs/dbraw/zinc/99/98/83/799999883.db2.gz BBPOBNJRPWLXCP-STQMWFEESA-N 2 2 269.389 0.044 20 0 CCADLP CC[NH+]1CC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC001141311211 799999887 /nfs/dbraw/zinc/99/98/87/799999887.db2.gz BBPOBNJRPWLXCP-STQMWFEESA-N 2 2 269.389 0.044 20 0 CCADLP CC[NH+]1CC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC001141311211 799999891 /nfs/dbraw/zinc/99/98/91/799999891.db2.gz BBPOBNJRPWLXCP-STQMWFEESA-N 2 2 269.389 0.044 20 0 CCADLP [NH3+]CC[NH2+]CCNS(=O)(=O)c1ccc2ccccc2c1 ZINC001238838259 806812120 /nfs/dbraw/zinc/81/21/20/806812120.db2.gz HFMJKJLBZUWPKX-UHFFFAOYSA-N 2 2 293.392 0.666 20 0 CCADLP CCCCc1ccc(S(=O)(=O)NCC[NH2+]CC[NH3+])cc1 ZINC001238838605 806812660 /nfs/dbraw/zinc/81/26/60/806812660.db2.gz KKKCKXFYNIAANP-UHFFFAOYSA-N 2 2 299.440 0.856 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1C[N@H+](CC2CC2)CCCO1 ZINC001150507147 800341842 /nfs/dbraw/zinc/34/18/42/800341842.db2.gz CTXNIGVASCLVBE-ZDUSSCGKSA-N 2 2 292.383 0.569 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1C[N@@H+](CC2CC2)CCCO1 ZINC001150507147 800341851 /nfs/dbraw/zinc/34/18/51/800341851.db2.gz CTXNIGVASCLVBE-ZDUSSCGKSA-N 2 2 292.383 0.569 20 0 CCADLP CC(C)[N@@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150824409 800370428 /nfs/dbraw/zinc/37/04/28/800370428.db2.gz LFDFUKOTXHSSAJ-CYBMUJFWSA-N 2 2 280.372 0.499 20 0 CCADLP CC(C)[N@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150824409 800370437 /nfs/dbraw/zinc/37/04/37/800370437.db2.gz LFDFUKOTXHSSAJ-CYBMUJFWSA-N 2 2 280.372 0.499 20 0 CCADLP CC(C)C[N@@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150824972 800370473 /nfs/dbraw/zinc/37/04/73/800370473.db2.gz PDDXCKNFJKBVLK-AWEZNQCLSA-N 2 2 294.399 0.746 20 0 CCADLP CC(C)C[N@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150824972 800370477 /nfs/dbraw/zinc/37/04/77/800370477.db2.gz PDDXCKNFJKBVLK-AWEZNQCLSA-N 2 2 294.399 0.746 20 0 CCADLP CC(C)c1noc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001151049692 800388883 /nfs/dbraw/zinc/38/88/83/800388883.db2.gz WGIKTEIGTZVASV-LLVKDONJSA-N 2 2 295.387 0.351 20 0 CCADLP CC(C)c1noc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001151049692 800388888 /nfs/dbraw/zinc/38/88/88/800388888.db2.gz WGIKTEIGTZVASV-LLVKDONJSA-N 2 2 295.387 0.351 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2C)cs1 ZINC001151147793 800404292 /nfs/dbraw/zinc/40/42/92/800404292.db2.gz WXUCTVZMVHMPRE-UHFFFAOYSA-N 2 2 293.396 0.862 20 0 CCADLP CC(C)[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001151814211 800461576 /nfs/dbraw/zinc/46/15/76/800461576.db2.gz FUIGAJQARUCWKQ-ZDUSSCGKSA-N 2 2 269.389 0.211 20 0 CCADLP CC(C)=CC[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001151815679 800462831 /nfs/dbraw/zinc/46/28/31/800462831.db2.gz YXUCZQDLYUVNAJ-HNNXBMFYSA-N 2 2 295.427 0.769 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]Cc1ccccn1 ZINC001153487800 800633804 /nfs/dbraw/zinc/63/38/04/800633804.db2.gz QCUUAXFIMUPFOI-UHFFFAOYSA-N 2 2 259.313 0.184 20 0 CCADLP Cn1c(Cl)cnc1C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153487953 800633854 /nfs/dbraw/zinc/63/38/54/800633854.db2.gz VQCKJBZIGJJJPC-UHFFFAOYSA-N 2 2 296.762 0.176 20 0 CCADLP Cc1nc(C)c(C[NH2+]CCNC(=O)Cn2cc[nH+]c2)s1 ZINC001153487754 800633880 /nfs/dbraw/zinc/63/38/80/800633880.db2.gz NBVIRYOAXUHKTF-UHFFFAOYSA-N 2 2 293.396 0.862 20 0 CCADLP COc1cccc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2)c1 ZINC001153487529 800634336 /nfs/dbraw/zinc/63/43/36/800634336.db2.gz CEADMUYDEXOCGO-UHFFFAOYSA-N 2 2 288.351 0.798 20 0 CCADLP C[C@H]1C[C@@H](C[NH2+]CCNC(=O)Cn2cc[nH+]c2)CCO1 ZINC001153496222 800635641 /nfs/dbraw/zinc/63/56/41/800635641.db2.gz WNGPCLJSDZEEOI-STQMWFEESA-N 2 2 280.372 0.404 20 0 CCADLP Cc1cc(C)n(CC[NH2+]CCNC(=O)Cn2cc[nH+]c2)n1 ZINC001153496225 800635784 /nfs/dbraw/zinc/63/57/84/800635784.db2.gz WPTDJTLBCPPVRS-UHFFFAOYSA-N 2 2 290.371 0.102 20 0 CCADLP N=c1cc(C[NH3+])ccn1C(=O)c1cccc2[nH+]ccn21 ZINC001154526393 800794240 /nfs/dbraw/zinc/79/42/40/800794240.db2.gz QSEFGGDGHLXTRN-UHFFFAOYSA-N 2 2 267.292 0.762 20 0 CCADLP C[N@@H+]1CCO[C@H](CNc2nc(Cl)nc3c2C[NH2+]CC3)C1 ZINC001155192952 800925695 /nfs/dbraw/zinc/92/56/95/800925695.db2.gz AICGBAAGOKNWOY-SECBINFHSA-N 2 2 297.790 0.518 20 0 CCADLP C[N@H+]1CCO[C@H](CNc2nc(Cl)nc3c2C[NH2+]CC3)C1 ZINC001155192952 800925699 /nfs/dbraw/zinc/92/56/99/800925699.db2.gz AICGBAAGOKNWOY-SECBINFHSA-N 2 2 297.790 0.518 20 0 CCADLP [NH3+]CC1C[NH+]([C@@H]2CCCN(c3ccc(F)c[n+]3[O-])C2)C1 ZINC001155371872 800961760 /nfs/dbraw/zinc/96/17/60/800961760.db2.gz DLLNDAGTTYWZLZ-CYBMUJFWSA-N 2 2 280.347 0.318 20 0 CCADLP Nc1cc(Cl)[nH+]c(NC[C@@]23C[NH2+][C@@H](CO2)C3)c1 ZINC001155541662 801002018 /nfs/dbraw/zinc/00/20/18/801002018.db2.gz ODLHBHFQQYPAKQ-LDYMZIIASA-N 2 2 254.721 0.860 20 0 CCADLP Cc1nc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)c2c([nH+]1)CCC2 ZINC001155576382 801013933 /nfs/dbraw/zinc/01/39/33/801013933.db2.gz QJMLHGLKASTEOI-BXUZGUMPSA-N 2 2 273.340 0.264 20 0 CCADLP Cc1nc(N(C)C)nc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)[nH+]1 ZINC001155586470 801016930 /nfs/dbraw/zinc/01/69/30/801016930.db2.gz VKBJHYPOAHLKOX-VWYCJHECSA-N 2 2 262.361 0.656 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Nc2ncc(C)cc2C[NH3+])C[NH2+]1 ZINC001156248790 801138574 /nfs/dbraw/zinc/13/85/74/801138574.db2.gz KFCGLUIEXIULJF-QWRGUYRKSA-N 2 2 264.329 0.164 20 0 CCADLP [NH2+]=C(NCCCC[NH3+])Nc1cc(-n2cc[nH+]c2)ccn1 ZINC001157101495 801302178 /nfs/dbraw/zinc/30/21/78/801302178.db2.gz JUGBBMUKJQHYQV-UHFFFAOYSA-N 3 2 273.344 0.942 20 0 CCADLP F[C@@H]1CC[NH2+]C[C@@H]1Nc1cc(N2CCOCC2)[nH+]cn1 ZINC001157446161 801384828 /nfs/dbraw/zinc/38/48/28/801384828.db2.gz WBDWGWLXNCLVLK-MNOVXSKESA-N 2 2 281.335 0.425 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)[C@H](c2ccccc2)C1 ZINC001157495909 801402057 /nfs/dbraw/zinc/40/20/57/801402057.db2.gz NXIYYHUGJHDJRO-KFWWJZLASA-N 2 2 289.379 0.225 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)[C@H](c2ccccc2)C1 ZINC001157495909 801402062 /nfs/dbraw/zinc/40/20/62/801402062.db2.gz NXIYYHUGJHDJRO-KFWWJZLASA-N 2 2 289.379 0.225 20 0 CCADLP O=C(N1CCC(=O)[C@H]2CCCC[C@@H]21)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157567740 801422556 /nfs/dbraw/zinc/42/25/56/801422556.db2.gz NUDZBYHPNSNARO-QCQGSNGOSA-N 2 2 291.395 0.298 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCc2cnccc2C1 ZINC001157566460 801422978 /nfs/dbraw/zinc/42/29/78/801422978.db2.gz CDBJFUNOIRSUCF-ZDUSSCGKSA-N 2 2 271.324 0.259 20 0 CCADLP O=C(N1CCC(=O)[C@@H]2CCCC[C@H]21)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157567741 801423013 /nfs/dbraw/zinc/42/30/13/801423013.db2.gz NUDZBYHPNSNARO-VLXAULBPSA-N 2 2 291.395 0.298 20 0 CCADLP C[C@H]1c2ccccc2CCN1C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001157702665 801457701 /nfs/dbraw/zinc/45/77/01/801457701.db2.gz BMGABHBYNHLHNX-SUHUHFCYSA-N 2 2 259.353 0.822 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2CCCC(=O)[C@H](F)C2)cc1 ZINC001157853662 801502355 /nfs/dbraw/zinc/50/23/55/801502355.db2.gz JUCAPELJTSAIQZ-CHWSQXEVSA-N 2 2 293.342 0.788 20 0 CCADLP CCN(C)c1cc(C)nc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001157910848 801517658 /nfs/dbraw/zinc/51/76/58/801517658.db2.gz SDGPPUSNFKDNES-UHFFFAOYSA-N 2 2 291.403 0.835 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(Cl)c[n+]2[O-])CC1 ZINC001157914629 801519304 /nfs/dbraw/zinc/51/93/04/801519304.db2.gz CNQBJEDYDJVNFB-UHFFFAOYSA-N 2 2 269.736 0.567 20 0 CCADLP Cc1nc2[nH]ccc2c(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001157915468 801521334 /nfs/dbraw/zinc/52/13/34/801521334.db2.gz YTXXNESKKIPGSA-UHFFFAOYSA-N 2 2 273.344 0.860 20 0 CCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])c1ccccc1 ZINC001157998940 801550693 /nfs/dbraw/zinc/55/06/93/801550693.db2.gz KWLUXUMZIIFDOF-CHWSQXEVSA-N 2 2 291.351 0.050 20 0 CCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158194400 801588131 /nfs/dbraw/zinc/58/81/31/801588131.db2.gz VSBNFIGWQSEKMS-SDDRHHMPSA-N 2 2 260.341 0.408 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nccc(C(F)F)n1 ZINC001158206535 801594230 /nfs/dbraw/zinc/59/42/30/801594230.db2.gz UGKTZDRQIGVYKM-SSDOTTSWSA-N 2 2 269.255 0.462 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc2ccccc2nn1 ZINC001158206162 801594703 /nfs/dbraw/zinc/59/47/03/801594703.db2.gz AUBAZMXPVXMLFS-LLVKDONJSA-N 2 2 269.308 0.678 20 0 CCADLP CCCc1ccnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158206292 801594904 /nfs/dbraw/zinc/59/49/04/801594904.db2.gz ICEFOFORBIQIQT-SNVBAGLBSA-N 2 2 261.329 0.477 20 0 CCADLP Cc1[nH]c2c([nH+]1)CCN(C(=O)[C@@H]([NH3+])COC(C)(C)C)CC2 ZINC001158347760 801624010 /nfs/dbraw/zinc/62/40/10/801624010.db2.gz NKZPYTCYNLXARY-NSHDSACASA-N 2 2 294.399 0.788 20 0 CCADLP Nc1cc(Cl)[nH+]c(NCCOCCOCC[NH3+])c1 ZINC001159444286 801807453 /nfs/dbraw/zinc/80/74/53/801807453.db2.gz DSIZSAIDTCLEIQ-UHFFFAOYSA-N 2 2 274.752 0.721 20 0 CCADLP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)[C@H]1C[NH2+]CCO1 ZINC001159496048 801820416 /nfs/dbraw/zinc/82/04/16/801820416.db2.gz BGDADRHYAPPAIG-TZMCWYRMSA-N 3 2 291.399 0.280 20 0 CCADLP CO[C@@H](C)C[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159536910 801830875 /nfs/dbraw/zinc/83/08/75/801830875.db2.gz DABNWBJVUGCNOP-NSHDSACASA-N 2 2 268.361 0.473 20 0 CCADLP CO[C@@H](C)C[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159536910 801830882 /nfs/dbraw/zinc/83/08/82/801830882.db2.gz DABNWBJVUGCNOP-NSHDSACASA-N 2 2 268.361 0.473 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](c2cccnc2)C1 ZINC001160524627 801961540 /nfs/dbraw/zinc/96/15/40/801961540.db2.gz NUCZVWKIFNYULW-JSGCOSHPSA-N 2 2 285.351 0.691 20 0 CCADLP O=C(N1CC[C@H](c2cccnc2)C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160525414 801962364 /nfs/dbraw/zinc/96/23/64/801962364.db2.gz ZGMOXNFCYJZJMC-LZWOXQAQSA-N 2 2 286.379 0.349 20 0 CCADLP CCN(CC(=O)OC(C)(C)C)C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160679805 801998671 /nfs/dbraw/zinc/99/86/71/801998671.db2.gz HASZABGMAYVMAN-NHYWBVRUSA-N 2 2 297.399 0.128 20 0 CCADLP [NH3+][C@@H](CC1CCC1)C(=O)N1CCc2[nH+]ccn2CC1 ZINC001160761198 802017592 /nfs/dbraw/zinc/01/75/92/802017592.db2.gz XFMPYUOBMBZZRF-LBPRGKRZSA-N 2 2 262.357 0.785 20 0 CCADLP [NH3+]C1(C(=O)N2CCC(n3cccn3)CC2)CC[NH2+]CC1 ZINC001160846445 802028296 /nfs/dbraw/zinc/02/82/96/802028296.db2.gz RCTZHKVRDUYMJC-UHFFFAOYSA-N 2 2 277.372 0.128 20 0 CCADLP Cc1c[nH+]c(NCCN2CC[NH2+]CC2=O)nc1NC1CC1 ZINC001161020250 802064403 /nfs/dbraw/zinc/06/44/03/802064403.db2.gz XMXKNAJWWKAUOZ-UHFFFAOYSA-N 2 2 290.371 0.203 20 0 CCADLP CC(=O)[C@@H]1CCN(C(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)C1 ZINC001161037903 802072949 /nfs/dbraw/zinc/07/29/49/802072949.db2.gz BMDJFODNBNUQJV-KGLIPLIRSA-N 2 2 275.352 0.696 20 0 CCADLP [NH3+]CCN(CCNc1ccc2c([nH+]1)CCCC2)N(O)N=O ZINC001161088063 802088172 /nfs/dbraw/zinc/08/81/72/802088172.db2.gz VOODMWIWOWJYKV-UHFFFAOYSA-N 2 2 294.359 0.921 20 0 CCADLP Cc1c[nH+]c(NCCN(CC[NH3+])N(O)N=O)c(C)c1 ZINC001161092258 802088483 /nfs/dbraw/zinc/08/84/83/802088483.db2.gz OYFIJNKVAFJFSB-UHFFFAOYSA-N 2 2 268.321 0.659 20 0 CCADLP CCN(C(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)C1C[NH+](C)C1 ZINC001161137958 802099841 /nfs/dbraw/zinc/09/98/41/802099841.db2.gz IYKNZIGCRLUAMT-AWEZNQCLSA-N 3 2 284.448 0.645 20 0 CCADLP CC[NH2+]CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001161214737 802109399 /nfs/dbraw/zinc/10/93/99/802109399.db2.gz FJKYQRYSNXOZHR-LLVKDONJSA-N 2 2 250.346 0.561 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@@](F)(C[NH3+])C2)cc1 ZINC001161245012 802115536 /nfs/dbraw/zinc/11/55/36/802115536.db2.gz AQQQTYMKQKJBPN-GXTWGEPZSA-N 3 2 280.347 0.158 20 0 CCADLP COCC[NH2+]CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001161310843 802123483 /nfs/dbraw/zinc/12/34/83/802123483.db2.gz ZTJDQLJLZUSZOR-LBPRGKRZSA-N 2 2 280.372 0.188 20 0 CCADLP CO[C@H](C)C[NH2+]CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001161315034 802123952 /nfs/dbraw/zinc/12/39/52/802123952.db2.gz MUGYBQUMGDHHCR-OLZOCXBDSA-N 2 2 294.399 0.576 20 0 CCADLP CCN(C(=O)c1cnc2n1CC[NH2+]C2)[C@H]1CCC[NH2+]C1 ZINC001161346597 802135132 /nfs/dbraw/zinc/13/51/32/802135132.db2.gz MAJRDQWCIVTNFF-NSHDSACASA-N 2 2 277.372 0.200 20 0 CCADLP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCN1)N1CC[NH2+]C1 ZINC001161416349 802150458 /nfs/dbraw/zinc/15/04/58/802150458.db2.gz HPPOKHULKJVFLL-HNNXBMFYSA-N 2 2 288.395 0.240 20 0 CCADLP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCN1)N1CC[NH2+]C1 ZINC001161416349 802150460 /nfs/dbraw/zinc/15/04/60/802150460.db2.gz HPPOKHULKJVFLL-HNNXBMFYSA-N 2 2 288.395 0.240 20 0 CCADLP [NH3+][C@H](C(=O)N1CC[N@@H+]2CC[C@H]2C1)c1ccsc1 ZINC001161421619 802153233 /nfs/dbraw/zinc/15/32/33/802153233.db2.gz SIEBWAHHLNIFEW-QWRGUYRKSA-N 2 2 251.355 0.664 20 0 CCADLP [NH3+][C@H](C(=O)N1CC[N@H+]2CC[C@H]2C1)c1ccsc1 ZINC001161421619 802153235 /nfs/dbraw/zinc/15/32/35/802153235.db2.gz SIEBWAHHLNIFEW-QWRGUYRKSA-N 2 2 251.355 0.664 20 0 CCADLP [NH3+]C1CC[NH+](CCNc2ccc(F)c[n+]2[O-])CC1 ZINC001161867697 802233675 /nfs/dbraw/zinc/23/36/75/802233675.db2.gz XBQJSJDCAVPWSC-UHFFFAOYSA-N 2 2 254.309 0.294 20 0 CCADLP C[NH+]1CCN(c2nccc(C3=CCC[N@H+](C)C3)n2)CC1 ZINC001241568488 806972560 /nfs/dbraw/zinc/97/25/60/806972560.db2.gz TWNOBNJIBMDNSO-UHFFFAOYSA-N 2 2 273.384 0.947 20 0 CCADLP C[NH+]1CCN(c2nccc(C3=CCC[N@@H+](C)C3)n2)CC1 ZINC001241568488 806972563 /nfs/dbraw/zinc/97/25/63/806972563.db2.gz TWNOBNJIBMDNSO-UHFFFAOYSA-N 2 2 273.384 0.947 20 0 CCADLP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCO[C@H](C[NH3+])C1)C2 ZINC001255182260 808327053 /nfs/dbraw/zinc/32/70/53/808327053.db2.gz DOBZLQYOOMDTFU-ZOBORPQBSA-N 2 2 297.399 0.798 20 0 CCADLP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCO[C@H](C[NH3+])C1)C2 ZINC001255182260 808327059 /nfs/dbraw/zinc/32/70/59/808327059.db2.gz DOBZLQYOOMDTFU-ZOBORPQBSA-N 2 2 297.399 0.798 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(N[C@@H]3COC[C@@H]3[NH3+])c2)C1 ZINC001162926653 802439851 /nfs/dbraw/zinc/43/98/51/802439851.db2.gz YSUOWNHKWOCGLY-VHDGCEQUSA-N 3 2 276.384 0.358 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(N[C@@H]3COC[C@@H]3[NH3+])c2)C1 ZINC001162926653 802439858 /nfs/dbraw/zinc/43/98/58/802439858.db2.gz YSUOWNHKWOCGLY-VHDGCEQUSA-N 3 2 276.384 0.358 20 0 CCADLP CCc1cc(N[C@H](C(=O)OC)C(C)(C)[NH3+])cc[nH+]1 ZINC001162956067 802443992 /nfs/dbraw/zinc/44/39/92/802443992.db2.gz JGYSNXRZODAHNB-LLVKDONJSA-N 2 2 251.330 0.757 20 0 CCADLP O=C1COc2c[nH+]c(N[C@@H]3COCCC34C[NH2+]C4)cc2N1 ZINC001163064539 802470996 /nfs/dbraw/zinc/47/09/96/802470996.db2.gz DLPAONVENOSTNY-LLVKDONJSA-N 2 2 290.323 0.203 20 0 CCADLP COC(=O)Cc1ccc(NC[C@@]23C[NH2+][C@@H](CO2)C3)[nH+]c1 ZINC001163191715 802504276 /nfs/dbraw/zinc/50/42/76/802504276.db2.gz SPGPBWWNRBKFGK-BXUZGUMPSA-N 2 2 277.324 0.340 20 0 CCADLP CC[NH2+]CCN(CCO)C(=O)Cc1c[nH+]ccc1OC ZINC001279745495 809995047 /nfs/dbraw/zinc/99/50/47/809995047.db2.gz CSLUAUNTFCERGF-UHFFFAOYSA-N 2 2 281.356 0.063 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Nc2cn3cc[nH+]c3cc2OC)C[NH2+]1 ZINC001164312322 802719719 /nfs/dbraw/zinc/71/97/19/802719719.db2.gz OEZYFGWYGAYHHW-UWVGGRQHSA-N 2 2 290.323 0.658 20 0 CCADLP COc1cc(C[NH+]2CCOCC2)ccc1NOCC[NH3+] ZINC001164439074 802742324 /nfs/dbraw/zinc/74/23/24/802742324.db2.gz OPEVWKYFCNZFDR-UHFFFAOYSA-N 2 2 281.356 0.830 20 0 CCADLP Cc1[nH+]c2c(n1-c1ncnc3c1CC[NH2+]C3)CC[NH2+]CC2 ZINC001165352630 802826687 /nfs/dbraw/zinc/82/66/87/802826687.db2.gz YSEZEQGUKZYZSD-UHFFFAOYSA-N 3 2 284.367 0.305 20 0 CCADLP CC1(C[NH3+])C[NH+](Cc2ccc(OCCO)cc2)C1 ZINC001206718627 802963739 /nfs/dbraw/zinc/96/37/39/802963739.db2.gz WOQOKOQCXUJYBX-UHFFFAOYSA-N 2 2 250.342 0.838 20 0 CCADLP CN(C[C@@H]1CC[NH2+]C1)c1cc(N2CCOCC2)nc[nH+]1 ZINC001166954498 802993030 /nfs/dbraw/zinc/99/30/30/802993030.db2.gz AVCVQGQIIZGZPM-GFCCVEGCSA-N 2 2 277.372 0.359 20 0 CCADLP CN(C[C@@H]1CC[NH2+]C1)c1cc(N2CCOCC2)[nH+]cn1 ZINC001166954498 802993032 /nfs/dbraw/zinc/99/30/32/802993032.db2.gz AVCVQGQIIZGZPM-GFCCVEGCSA-N 2 2 277.372 0.359 20 0 CCADLP c1cc(CN2CC[NH2+]CC2)cc(C[N@@H+]2CCC[NH2+]CC2)c1 ZINC001204667975 803097382 /nfs/dbraw/zinc/09/73/82/803097382.db2.gz QSRZEFHDDSNATL-UHFFFAOYSA-N 3 2 288.439 0.887 20 0 CCADLP c1cc(CN2CC[NH2+]CC2)cc(C[N@H+]2CCC[NH2+]CC2)c1 ZINC001204667975 803097384 /nfs/dbraw/zinc/09/73/84/803097384.db2.gz QSRZEFHDDSNATL-UHFFFAOYSA-N 3 2 288.439 0.887 20 0 CCADLP COc1ccc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)nc1OC ZINC001205671420 803153314 /nfs/dbraw/zinc/15/33/14/803153314.db2.gz BMCMEIBGFHYCTM-HNNXBMFYSA-N 2 2 295.383 0.775 20 0 CCADLP COc1ccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)nc1OC ZINC001205671420 803153317 /nfs/dbraw/zinc/15/33/17/803153317.db2.gz BMCMEIBGFHYCTM-HNNXBMFYSA-N 2 2 295.383 0.775 20 0 CCADLP COC(=O)c1ccc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)o1 ZINC001205682334 803154159 /nfs/dbraw/zinc/15/41/59/803154159.db2.gz RWKBLYRWBOHGJF-CQSZACIVSA-N 2 2 282.340 0.742 20 0 CCADLP COC(=O)c1ccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)o1 ZINC001205682334 803154163 /nfs/dbraw/zinc/15/41/63/803154163.db2.gz RWKBLYRWBOHGJF-CQSZACIVSA-N 2 2 282.340 0.742 20 0 CCADLP COC(=O)COc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205959207 803191472 /nfs/dbraw/zinc/19/14/72/803191472.db2.gz LDMNFJXMSJZJRH-CHWSQXEVSA-N 2 2 294.351 0.132 20 0 CCADLP COC(=O)COc1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205959207 803191477 /nfs/dbraw/zinc/19/14/77/803191477.db2.gz LDMNFJXMSJZJRH-CHWSQXEVSA-N 2 2 294.351 0.132 20 0 CCADLP Cc1ncc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)o1 ZINC001276486243 803195807 /nfs/dbraw/zinc/19/58/07/803195807.db2.gz XXRHLDPOKXEYCW-CABCVRRESA-N 2 2 294.399 0.430 20 0 CCADLP Cc1ncc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)o1 ZINC001276486243 803195811 /nfs/dbraw/zinc/19/58/11/803195811.db2.gz XXRHLDPOKXEYCW-CABCVRRESA-N 2 2 294.399 0.430 20 0 CCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(OC)c1 ZINC001206463703 803247495 /nfs/dbraw/zinc/24/74/95/803247495.db2.gz BZYKJNQMEQDMPQ-WCQYABFASA-N 2 2 266.341 0.455 20 0 CCADLP COc1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(OC)c1 ZINC001206463703 803247498 /nfs/dbraw/zinc/24/74/98/803247498.db2.gz BZYKJNQMEQDMPQ-WCQYABFASA-N 2 2 266.341 0.455 20 0 CCADLP Nc1ccc(Cl)cc1C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206474409 803248119 /nfs/dbraw/zinc/24/81/19/803248119.db2.gz AMEQNSIBZDBAON-JOYOIKCWSA-N 2 2 255.749 0.674 20 0 CCADLP Nc1ccc(Cl)cc1C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206474409 803248123 /nfs/dbraw/zinc/24/81/23/803248123.db2.gz AMEQNSIBZDBAON-JOYOIKCWSA-N 2 2 255.749 0.674 20 0 CCADLP CCOc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(F)c1 ZINC001206491897 803253283 /nfs/dbraw/zinc/25/32/83/803253283.db2.gz OSQVETKTWATRAQ-SMDDNHRTSA-N 2 2 268.332 0.976 20 0 CCADLP CCOc1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(F)c1 ZINC001206491897 803253289 /nfs/dbraw/zinc/25/32/89/803253289.db2.gz OSQVETKTWATRAQ-SMDDNHRTSA-N 2 2 268.332 0.976 20 0 CCADLP COC(=O)c1ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(OC)c1 ZINC001206519493 803258273 /nfs/dbraw/zinc/25/82/73/803258273.db2.gz MFQZCRZIUBXTTE-STQMWFEESA-N 2 2 294.351 0.233 20 0 CCADLP COC(=O)c1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(OC)c1 ZINC001206519493 803258279 /nfs/dbraw/zinc/25/82/79/803258279.db2.gz MFQZCRZIUBXTTE-STQMWFEESA-N 2 2 294.351 0.233 20 0 CCADLP COc1cc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(OC)cc1C ZINC001206530903 803260986 /nfs/dbraw/zinc/26/09/86/803260986.db2.gz VOENACUFUATAAY-STQMWFEESA-N 2 2 280.368 0.764 20 0 CCADLP COc1cc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(OC)cc1C ZINC001206530903 803260991 /nfs/dbraw/zinc/26/09/91/803260991.db2.gz VOENACUFUATAAY-STQMWFEESA-N 2 2 280.368 0.764 20 0 CCADLP CC(C)Oc1cncc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206535314 803263205 /nfs/dbraw/zinc/26/32/05/803263205.db2.gz JIYIHWUWIXDCCN-JSGCOSHPSA-N 2 2 265.357 0.620 20 0 CCADLP CC(C)Oc1cncc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206535314 803263212 /nfs/dbraw/zinc/26/32/12/803263212.db2.gz JIYIHWUWIXDCCN-JSGCOSHPSA-N 2 2 265.357 0.620 20 0 CCADLP CC(C)(CN1CCC(F)(F)[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC001206646426 803277196 /nfs/dbraw/zinc/27/71/96/803277196.db2.gz BRPIDQHXOLKMIF-NSHDSACASA-N 2 2 277.359 0.766 20 0 CCADLP C[NH+](C)CCN1CCC2(C[NH+](Cc3cccc(N)n3)C2)C1 ZINC001276492114 803284966 /nfs/dbraw/zinc/28/49/66/803284966.db2.gz JZJIWNFMRKTULO-UHFFFAOYSA-N 2 2 289.427 0.733 20 0 CCADLP Cc1[nH+]cc(CN2CC[NH+](CCCO)CC2)n1C ZINC001206791445 803287957 /nfs/dbraw/zinc/28/79/57/803287957.db2.gz CKKDTVAUWJQCSM-UHFFFAOYSA-N 2 2 252.362 0.229 20 0 CCADLP CCOC(=O)c1ncn2c1C[N@H+](CC1CC[NH2+]CC1)CC2 ZINC001207435754 803399517 /nfs/dbraw/zinc/39/95/17/803399517.db2.gz MFDKNUMSWAAWFO-UHFFFAOYSA-N 2 2 292.383 0.875 20 0 CCADLP CCOC(=O)c1ncn2c1C[N@@H+](CC1CC[NH2+]CC1)CC2 ZINC001207435754 803399522 /nfs/dbraw/zinc/39/95/22/803399522.db2.gz MFDKNUMSWAAWFO-UHFFFAOYSA-N 2 2 292.383 0.875 20 0 CCADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](CC1(C)COC1)CC2 ZINC001207791137 803450102 /nfs/dbraw/zinc/45/01/02/803450102.db2.gz HYUOERPCKMHVGI-UHFFFAOYSA-N 2 2 295.427 0.699 20 0 CCADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](CC1(C)COC1)CC2 ZINC001207791137 803450104 /nfs/dbraw/zinc/45/01/04/803450104.db2.gz HYUOERPCKMHVGI-UHFFFAOYSA-N 2 2 295.427 0.699 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001208061802 803484187 /nfs/dbraw/zinc/48/41/87/803484187.db2.gz OJCCNPBDIAGJPQ-VXGBXAGGSA-N 2 2 264.373 0.809 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001208061802 803484190 /nfs/dbraw/zinc/48/41/90/803484190.db2.gz OJCCNPBDIAGJPQ-VXGBXAGGSA-N 2 2 264.373 0.809 20 0 CCADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ncccn3)CC2)C1 ZINC001208604069 803527433 /nfs/dbraw/zinc/52/74/33/803527433.db2.gz KSYMBLLUHNIHPE-CQSZACIVSA-N 2 2 275.400 0.940 20 0 CCADLP C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ncccn3)CC2)C1 ZINC001208604069 803527438 /nfs/dbraw/zinc/52/74/38/803527438.db2.gz KSYMBLLUHNIHPE-CQSZACIVSA-N 2 2 275.400 0.940 20 0 CCADLP Cc1nnc(C[N@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)s1 ZINC001276610018 803566287 /nfs/dbraw/zinc/56/62/87/803566287.db2.gz KSJBOMYOBBLOEV-QWHCGFSZSA-N 2 2 295.456 0.914 20 0 CCADLP Cc1nnc(C[N@@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)s1 ZINC001276610018 803566289 /nfs/dbraw/zinc/56/62/89/803566289.db2.gz KSJBOMYOBBLOEV-QWHCGFSZSA-N 2 2 295.456 0.914 20 0 CCADLP COC(C)(C)CC[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001209407903 803601993 /nfs/dbraw/zinc/60/19/93/803601993.db2.gz RPRJECFFDVWUNO-UHFFFAOYSA-N 2 2 299.459 0.751 20 0 CCADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccon1 ZINC001209563981 803612953 /nfs/dbraw/zinc/61/29/53/803612953.db2.gz QKZQDPNBVTXJCO-UONOGXRCSA-N 2 2 264.373 0.885 20 0 CCADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccon1 ZINC001209563981 803612956 /nfs/dbraw/zinc/61/29/56/803612956.db2.gz QKZQDPNBVTXJCO-UONOGXRCSA-N 2 2 264.373 0.885 20 0 CCADLP C[C@H](CC(=O)N1CCC[C@H]([NH2+]CCCO)C1)n1cc[nH+]c1 ZINC001209865244 803632817 /nfs/dbraw/zinc/63/28/17/803632817.db2.gz DYACVXJLVGDWIZ-KGLIPLIRSA-N 2 2 294.399 0.797 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001210666899 803657011 /nfs/dbraw/zinc/65/70/11/803657011.db2.gz AQZVURRMBYQMDH-OLZOCXBDSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001210723246 803658313 /nfs/dbraw/zinc/65/83/13/803658313.db2.gz GQEGWOZNCKBFHL-YRGRVCCFSA-N 2 2 294.399 0.170 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001210723246 803658315 /nfs/dbraw/zinc/65/83/15/803658315.db2.gz GQEGWOZNCKBFHL-YRGRVCCFSA-N 2 2 294.399 0.170 20 0 CCADLP CO[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374590 803692025 /nfs/dbraw/zinc/69/20/25/803692025.db2.gz MZKLPJCKAKVJTG-WBIIUDBISA-N 2 2 289.807 0.506 20 0 CCADLP CO[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374590 803692027 /nfs/dbraw/zinc/69/20/27/803692027.db2.gz MZKLPJCKAKVJTG-WBIIUDBISA-N 2 2 289.807 0.506 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404270533 803849754 /nfs/dbraw/zinc/84/97/54/803849754.db2.gz KGQHVPOWLBXCTG-QLFBSQMISA-N 3 2 287.448 0.375 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404270533 803849763 /nfs/dbraw/zinc/84/97/63/803849763.db2.gz KGQHVPOWLBXCTG-QLFBSQMISA-N 3 2 287.448 0.375 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404270533 803849773 /nfs/dbraw/zinc/84/97/73/803849773.db2.gz KGQHVPOWLBXCTG-QLFBSQMISA-N 3 2 287.448 0.375 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404270533 803849783 /nfs/dbraw/zinc/84/97/83/803849783.db2.gz KGQHVPOWLBXCTG-QLFBSQMISA-N 3 2 287.448 0.375 20 0 CCADLP FC1(F)C[NH2+]C[C@@H](OC[C@@H]2C[C@H]3CC[NH2+]C[C@@H]3O2)C1 ZINC001217856372 803921075 /nfs/dbraw/zinc/92/10/75/803921075.db2.gz PHCQDOMMKUMJKC-RHYQMDGZSA-N 2 2 276.327 0.767 20 0 CCADLP CC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1[NH2+]CCCO ZINC001276764233 803925616 /nfs/dbraw/zinc/92/56/16/803925616.db2.gz YQSDRNGVCPIUMV-CHWSQXEVSA-N 2 2 294.399 0.551 20 0 CCADLP Cc1cnc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)nc1C ZINC001218496142 803962258 /nfs/dbraw/zinc/96/22/58/803962258.db2.gz IQKSLPUUMQFDPM-SNVBAGLBSA-N 2 2 260.301 0.325 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1noc2cccnc21 ZINC001218503659 803972219 /nfs/dbraw/zinc/97/22/19/803972219.db2.gz QBLYTJGCXPLQNO-QMMMGPOBSA-N 2 2 272.268 0.454 20 0 CCADLP CSc1nccc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)n1 ZINC001218511296 803977051 /nfs/dbraw/zinc/97/70/51/803977051.db2.gz FYSUHLCUXNCOLE-RWYTXXIDSA-N 2 2 279.369 0.359 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccsc1 ZINC001218536786 803993213 /nfs/dbraw/zinc/99/32/13/803993213.db2.gz XXJPSIZITFLHLP-JTQLQIEISA-N 2 2 250.327 0.990 20 0 CCADLP CCOC(=O)c1cc[nH]c1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218540700 803995412 /nfs/dbraw/zinc/99/54/12/803995412.db2.gz KNPYWYYSYSEVPF-JTQLQIEISA-N 2 2 291.311 0.423 20 0 CCADLP Nc1cccc(-c2cccc(NC(=O)[C@@H]([NH3+])CC[NH3+])n2)n1 ZINC001218561111 804006757 /nfs/dbraw/zinc/00/67/57/804006757.db2.gz DZCROPRBLOEDRM-VIFPVBQESA-N 2 2 286.339 0.340 20 0 CCADLP Cn1ncc(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)n1 ZINC001218627124 804044315 /nfs/dbraw/zinc/04/43/15/804044315.db2.gz SOAOFMYUMBZKSY-JTQLQIEISA-N 2 2 260.301 0.026 20 0 CCADLP COc1nc(Cl)ncc1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218634765 804049796 /nfs/dbraw/zinc/04/97/96/804049796.db2.gz NGCFGKBRIVHDBE-SSDOTTSWSA-N 2 2 296.718 0.370 20 0 CCADLP Cc1cc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)n(CCF)n1 ZINC001218744073 804105320 /nfs/dbraw/zinc/10/53/20/804105320.db2.gz VMBPTSLNCVKMBR-NSHDSACASA-N 2 2 294.334 0.403 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1cn(CCF)cn1 ZINC001218743228 804105800 /nfs/dbraw/zinc/10/58/00/804105800.db2.gz PSWAERXIFQLADQ-UHFFFAOYSA-N 2 2 269.324 0.133 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(C2=NCCO2)cc1 ZINC001218929502 804159722 /nfs/dbraw/zinc/15/97/22/804159722.db2.gz JEPWHKJWGMDIEQ-ZDUSSCGKSA-N 2 2 299.334 0.695 20 0 CCADLP CCOC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc1 ZINC001218951264 804165117 /nfs/dbraw/zinc/16/51/17/804165117.db2.gz CIOAPXCXOAYSTP-SKDRFNHKSA-N 2 2 292.339 0.883 20 0 CCADLP NC(=S)c1cccc(NC(=O)C2([NH3+])CC[NH2+]CC2)c1 ZINC001218968913 804169831 /nfs/dbraw/zinc/16/98/31/804169831.db2.gz VDEUDPYQUAESIR-UHFFFAOYSA-N 2 2 278.381 0.340 20 0 CCADLP COC(=O)c1ccc(NC(=O)[C@@H]([NH3+])CC[NH3+])c(C(C)=O)c1 ZINC001218982299 804174428 /nfs/dbraw/zinc/17/44/28/804174428.db2.gz NSQDOIFKRQXGDO-NSHDSACASA-N 2 2 293.323 0.290 20 0 CCADLP [NH3+]C1(C(=O)Nc2ccc([C@H]3CC[NH2+]C3)cc2)CC[NH2+]CC1 ZINC001218997093 804180352 /nfs/dbraw/zinc/18/03/52/804180352.db2.gz RGQJDDMZKWKJQJ-ZDUSSCGKSA-N 3 2 288.395 0.783 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc(-n2ccccc2=O)cc1 ZINC001219017295 804181582 /nfs/dbraw/zinc/18/15/82/804181582.db2.gz XVRRQEWCIJQPRL-ZDUSSCGKSA-N 2 2 286.335 0.452 20 0 CCADLP COC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC001219347894 804281711 /nfs/dbraw/zinc/28/17/11/804281711.db2.gz UMMXQPJUFJZJBQ-WCQYABFASA-N 2 2 291.351 0.625 20 0 CCADLP [NH3+]Cc1ccc(NC(=O)c2cnc3n2CC[NH2+]C3)cc1 ZINC001219355380 804284222 /nfs/dbraw/zinc/28/42/22/804284222.db2.gz ZTPUBZMYUSGGSE-UHFFFAOYSA-N 2 2 271.324 0.697 20 0 CCADLP [NH3+][C@@H](Cc1ccsc1)C(=O)NCCn1cc[nH+]c1 ZINC001219564323 804351841 /nfs/dbraw/zinc/35/18/41/804351841.db2.gz YFDPSIIDWCGRNB-NSHDSACASA-N 2 2 264.354 0.631 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)[C@@H]([NH3+])CC2CCC2)c1 ZINC001219634237 804383380 /nfs/dbraw/zinc/38/33/80/804383380.db2.gz PUAQQGNYPUJSLY-LBPRGKRZSA-N 2 2 250.346 0.596 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000313231960 804388874 /nfs/dbraw/zinc/38/88/74/804388874.db2.gz OGLTUUGTGQWBOW-JQWIXIFHSA-N 2 2 250.346 0.467 20 0 CCADLP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)C1 ZINC001219663762 804397950 /nfs/dbraw/zinc/39/79/50/804397950.db2.gz QWBDDLUIBFHDDP-HUBLWGQQSA-N 3 2 290.411 0.621 20 0 CCADLP Cc1cccc2c1[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])CCO2 ZINC001219684527 804403980 /nfs/dbraw/zinc/40/39/80/804403980.db2.gz PAQGQKVVCZXICH-SDDRHHMPSA-N 2 2 275.352 0.482 20 0 CCADLP Cn1c(CNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)ccc1C(F)(F)F ZINC001219698461 804408292 /nfs/dbraw/zinc/40/82/92/804408292.db2.gz BGLPLAGMKOYUHK-APPZFPTMSA-N 2 2 290.289 0.349 20 0 CCADLP CC[C@H](C)[C@@H](CO)NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001219882387 804439001 /nfs/dbraw/zinc/43/90/01/804439001.db2.gz FHZDRUXNVPMMKJ-ZLKJLUDKSA-N 2 2 279.384 0.782 20 0 CCADLP O=C(NCc1cc(F)c(F)c(F)c1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219904499 804444764 /nfs/dbraw/zinc/44/47/64/804444764.db2.gz XGQRGTQUXCPXLR-LKFCYVNXSA-N 2 2 299.296 0.672 20 0 CCADLP Nc1ccccc1CNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001219925159 804449729 /nfs/dbraw/zinc/44/97/29/804449729.db2.gz GANJEYXWFYDDET-BZPMIXESSA-N 2 2 260.341 0.107 20 0 CCADLP O=C(NC[C@H]1Cc2ccccc2O1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219925857 804450386 /nfs/dbraw/zinc/45/03/86/804450386.db2.gz ZBCFPBWARMLWMJ-RFQIPJPRSA-N 2 2 287.363 0.056 20 0 CCADLP CCC[NH+]1CCC(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC1 ZINC001219954027 804458831 /nfs/dbraw/zinc/45/88/31/804458831.db2.gz ATFDLVOPMPQRMB-NFAWXSAZSA-N 3 2 280.416 0.199 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCCc1ccncc1 ZINC001219980457 804464367 /nfs/dbraw/zinc/46/43/67/804464367.db2.gz HMYZYBSYMPVVSW-ZDUSSCGKSA-N 2 2 273.340 0.424 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cnc2[nH]ccc2c1 ZINC001220013391 804471308 /nfs/dbraw/zinc/47/13/08/804471308.db2.gz UIWQPZVRIROABU-GFCCVEGCSA-N 2 2 284.323 0.472 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2cccc(-n3cccn3)c2)C1 ZINC001220010968 804471418 /nfs/dbraw/zinc/47/14/18/804471418.db2.gz NLKONGOJLOXNRI-OCCSQVGLSA-N 2 2 285.351 0.178 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CCOC2)cc1 ZINC001220020476 804474589 /nfs/dbraw/zinc/47/45/89/804474589.db2.gz KGKMRTPADKGURM-GXFFZTMASA-N 2 2 263.341 0.411 20 0 CCADLP O=C(NCc1cccc2ncccc12)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220039606 804480584 /nfs/dbraw/zinc/48/05/84/804480584.db2.gz LMPDEJWPSAFOLY-GUYCJALGSA-N 2 2 296.374 0.803 20 0 CCADLP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220062360 804490715 /nfs/dbraw/zinc/49/07/15/804490715.db2.gz VYZIYLVONJFJOI-IIAWOOMASA-N 3 2 294.443 0.319 20 0 CCADLP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220062360 804490718 /nfs/dbraw/zinc/49/07/18/804490718.db2.gz VYZIYLVONJFJOI-IIAWOOMASA-N 3 2 294.443 0.319 20 0 CCADLP COCC1(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)CCC1 ZINC001220063729 804492185 /nfs/dbraw/zinc/49/21/85/804492185.db2.gz AHGRPZJHTGFHRC-ZDUSSCGKSA-N 2 2 277.368 0.944 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220158650 804522164 /nfs/dbraw/zinc/52/21/64/804522164.db2.gz CQPGEESXKXDSCW-ZLDLUXBVSA-N 3 2 291.399 0.318 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220158644 804522246 /nfs/dbraw/zinc/52/22/46/804522246.db2.gz CQPGEESXKXDSCW-KYOSRNDESA-N 3 2 291.399 0.318 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)c1cccc(C[NH3+])c1 ZINC001220274524 804559015 /nfs/dbraw/zinc/55/90/15/804559015.db2.gz GNUCAGGENOSPAE-UHFFFAOYSA-N 2 2 288.351 0.918 20 0 CCADLP CC(C)Oc1ccc(CCNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc1 ZINC001220279906 804559981 /nfs/dbraw/zinc/55/99/81/804559981.db2.gz DMTAOWIYISHLHQ-GJZGRUSLSA-N 2 2 291.395 0.679 20 0 CCADLP CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001220520380 804618423 /nfs/dbraw/zinc/61/84/23/804618423.db2.gz STMZPZZUMOQAGJ-UHTWSYAYSA-N 2 2 280.372 0.160 20 0 CCADLP CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001220520380 804618427 /nfs/dbraw/zinc/61/84/27/804618427.db2.gz STMZPZZUMOQAGJ-UHTWSYAYSA-N 2 2 280.372 0.160 20 0 CCADLP O=C(NC1(c2cccnc2)CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220561042 804624223 /nfs/dbraw/zinc/62/42/23/804624223.db2.gz SWHUTKOQTMZPRT-DOMZBBRYSA-N 2 2 272.352 0.138 20 0 CCADLP C[C@@H]1COCC[C@H]1NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220566148 804625931 /nfs/dbraw/zinc/62/59/31/804625931.db2.gz ZYWUUOCKQVETIW-DDTOSNHZSA-N 2 2 277.368 0.800 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)CC(C)(C)CC[NH3+] ZINC001220763547 804661905 /nfs/dbraw/zinc/66/19/05/804661905.db2.gz FZWCOUNZWQTVST-YPMHNXCESA-N 3 2 295.431 0.797 20 0 CCADLP O=C(NCc1sccc1Cl)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220821940 804674680 /nfs/dbraw/zinc/67/46/80/804674680.db2.gz RTTMOLKYQZOBEC-UJNFCWOMSA-N 2 2 285.800 0.968 20 0 CCADLP O=C(NCc1ccc(O)cc1F)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220822009 804674829 /nfs/dbraw/zinc/67/48/29/804674829.db2.gz SOVUWBZIMUKYCZ-TVYUQYBPSA-N 2 2 279.315 0.097 20 0 CCADLP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@]1(C)CC(F)(F)C[NH2+]1 ZINC001220857837 804683051 /nfs/dbraw/zinc/68/30/51/804683051.db2.gz UPKJDMSVEGVGTE-GZMMTYOYSA-N 2 2 263.332 0.863 20 0 CCADLP COCc1ccc(CNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)cc1 ZINC001220934801 804703052 /nfs/dbraw/zinc/70/30/52/804703052.db2.gz WUNYEOJFHMXFIG-GDBMZVCRSA-N 2 2 289.379 0.401 20 0 CCADLP CC[C@@H](NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)C(F)(F)F ZINC001220945202 804704487 /nfs/dbraw/zinc/70/44/87/804704487.db2.gz VALIUTKEJZGHID-DQUBFYRCSA-N 2 2 265.279 0.665 20 0 CCADLP CC[C@@H](NC(=O)C1([NH3+])CC[NH2+]CC1)C(F)(F)F ZINC001220944722 804705021 /nfs/dbraw/zinc/70/50/21/804705021.db2.gz AKHCDDKPIAINEP-SSDOTTSWSA-N 2 2 253.268 0.524 20 0 CCADLP Cc1cc2c(cn1)[C@H](NC(=O)[C@]13C[NH2+]C[C@H]1CC[NH2+]3)CC2 ZINC001220960485 804709471 /nfs/dbraw/zinc/70/94/71/804709471.db2.gz PUHPWLTZCBMDDK-XPKDYRNWSA-N 2 2 286.379 0.445 20 0 CCADLP Cc1nnc(CNC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)o1 ZINC001221010889 804716838 /nfs/dbraw/zinc/71/68/38/804716838.db2.gz SMKBYBUWAIMLLO-LLVKDONJSA-N 2 2 275.312 0.267 20 0 CCADLP [NH3+]CCN(C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)c1ccc(F)cc1 ZINC001221060473 804724364 /nfs/dbraw/zinc/72/43/64/804724364.db2.gz BIDCRBJHPMLXKM-CYBMUJFWSA-N 3 2 291.330 0.411 20 0 CCADLP Cc1cccc([C@@H](CO)NC(=O)C2([NH3+])CC[NH2+]CC2)c1 ZINC001221192462 804744057 /nfs/dbraw/zinc/74/40/57/804744057.db2.gz SXUZESZARYNTTO-CYBMUJFWSA-N 2 2 277.368 0.226 20 0 CCADLP COc1cccnc1[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C1CC1 ZINC001221214338 804747785 /nfs/dbraw/zinc/74/77/85/804747785.db2.gz BKSYNVKBBALDDD-GMXVVIOVSA-N 2 2 290.367 0.204 20 0 CCADLP C[C@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)c1cccc(N(C)C)c1 ZINC001221314291 804774345 /nfs/dbraw/zinc/77/43/45/804774345.db2.gz QSJKSASOGKSIAS-SUHUHFCYSA-N 2 2 276.384 0.619 20 0 CCADLP COC1CC(CNC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)C1 ZINC001221367591 804790353 /nfs/dbraw/zinc/79/03/53/804790353.db2.gz SZBMQAOWCDGNRR-DBRPNBKGSA-N 2 2 277.368 0.800 20 0 CCADLP CCCC(C[NH3+])(CCC)NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221371672 804791688 /nfs/dbraw/zinc/79/16/88/804791688.db2.gz HLTDPYVCNRECBY-SWLSCSKDSA-N 3 2 282.432 0.352 20 0 CCADLP COc1cccc([C@H](C[NH3+])NC(=O)C2(F)C[NH2+]C2)c1 ZINC001221406860 804808938 /nfs/dbraw/zinc/80/89/38/804808938.db2.gz VLDHNZUVXHIYIZ-NSHDSACASA-N 2 2 267.304 0.123 20 0 CCADLP COCC[NH2+]CC[NH2+][C@@H]1CC[C@H](C)C[C@H]1n1cncn1 ZINC000423331122 804975864 /nfs/dbraw/zinc/97/58/64/804975864.db2.gz MMVNMWUJTPDLPA-BFHYXJOUSA-N 2 2 281.404 0.833 20 0 CCADLP C[C@@H](O)C[NH+]1CCC(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001223986931 805001186 /nfs/dbraw/zinc/00/11/86/805001186.db2.gz BMMSWPLUYMICDT-CYBMUJFWSA-N 2 2 294.399 0.482 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001276985785 805062706 /nfs/dbraw/zinc/06/27/06/805062706.db2.gz JGUXBNGXEAKLLN-NWDGAFQWSA-N 2 2 266.345 0.109 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001276985785 805062717 /nfs/dbraw/zinc/06/27/17/805062717.db2.gz JGUXBNGXEAKLLN-NWDGAFQWSA-N 2 2 266.345 0.109 20 0 CCADLP CCOCC[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001277224057 805369318 /nfs/dbraw/zinc/36/93/18/805369318.db2.gz CPSXAHSNQVFLMJ-UHFFFAOYSA-N 2 2 280.372 0.238 20 0 CCADLP COCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001228800251 805481723 /nfs/dbraw/zinc/48/17/23/805481723.db2.gz GCUNBVOLWHWHBA-CHWSQXEVSA-N 2 2 280.372 0.616 20 0 CCADLP COC(=O)[C@H](CCCC[NH3+])[NH2+]C[C@H](O)C(C)(C)C ZINC001245979669 807105887 /nfs/dbraw/zinc/10/58/87/807105887.db2.gz XFKJRBCKVHWIHA-QWRGUYRKSA-N 2 2 260.378 0.654 20 0 CCADLP C[C@H]([NH3+])CC[NH2+]C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001245998195 807111986 /nfs/dbraw/zinc/11/19/86/807111986.db2.gz DQVUQUYEPVMWKO-FPMFFAJLSA-N 3 2 251.374 0.244 20 0 CCADLP COc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246008197 807113179 /nfs/dbraw/zinc/11/31/79/807113179.db2.gz CTGWQLLIMUNHQR-OLZOCXBDSA-N 2 2 280.368 0.777 20 0 CCADLP O[C@@H](COc1ccccc1)C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246025638 807123551 /nfs/dbraw/zinc/12/35/51/807123551.db2.gz LNRASIWQQGMCAV-ZBFHGGJFSA-N 2 2 291.395 0.064 20 0 CCADLP O[C@@H](COc1ccccc1)C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246025638 807123554 /nfs/dbraw/zinc/12/35/54/807123554.db2.gz LNRASIWQQGMCAV-ZBFHGGJFSA-N 2 2 291.395 0.064 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)COCC(F)(F)C(F)F)C[C@H]1[NH3+] ZINC001246028295 807125116 /nfs/dbraw/zinc/12/51/16/807125116.db2.gz JLIZLOXTWNNTBI-IWSPIJDZSA-N 2 2 288.285 0.543 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)COCC(F)(F)C(F)F)C[C@H]1[NH3+] ZINC001246028295 807125119 /nfs/dbraw/zinc/12/51/19/807125119.db2.gz JLIZLOXTWNNTBI-IWSPIJDZSA-N 2 2 288.285 0.543 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001246027189 807125574 /nfs/dbraw/zinc/12/55/74/807125574.db2.gz XCFFYRGNGVIUKG-FRRDWIJNSA-N 2 2 254.305 0.253 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](C[C@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001246027189 807125578 /nfs/dbraw/zinc/12/55/78/807125578.db2.gz XCFFYRGNGVIUKG-FRRDWIJNSA-N 2 2 254.305 0.253 20 0 CCADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246073950 807142644 /nfs/dbraw/zinc/14/26/44/807142644.db2.gz LZXPMDFMBSHELO-STQMWFEESA-N 3 2 252.406 0.154 20 0 CCADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246073950 807142649 /nfs/dbraw/zinc/14/26/49/807142649.db2.gz LZXPMDFMBSHELO-STQMWFEESA-N 3 2 252.406 0.154 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CCCC[NH2+]C2)CCN1 ZINC001246089596 807149363 /nfs/dbraw/zinc/14/93/63/807149363.db2.gz GTEJICQQVSVKDZ-WOPDTQHZSA-N 2 2 255.362 0.012 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[NH2+]C2)C[C@@H]1C(=O)OC ZINC001246089881 807149853 /nfs/dbraw/zinc/14/98/53/807149853.db2.gz HMCBRLNKCANYOD-FVCCEPFGSA-N 2 2 298.383 0.459 20 0 CCADLP COC(=O)N1CCC([NH2+][C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246096858 807152984 /nfs/dbraw/zinc/15/29/84/807152984.db2.gz NCZWZLQBSKWJDX-WDEREUQCSA-N 2 2 259.325 0.507 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)O2)C[NH2+]1 ZINC001246133595 807162472 /nfs/dbraw/zinc/16/24/72/807162472.db2.gz PXQOZUUCFQBPNX-AGIUHOORSA-N 3 2 253.390 0.628 20 0 CCADLP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@@H]2COC3)CC[NH2+]1 ZINC001246149010 807167595 /nfs/dbraw/zinc/16/75/95/807167595.db2.gz PLNCTFVQAFFYKY-SEBNEYGDSA-N 3 2 281.444 0.977 20 0 CCADLP COC(=O)[C@@H]1CC[C@H](n2c[nH+]c(C)c2CC[NH3+])CN1 ZINC001246175772 807177149 /nfs/dbraw/zinc/17/71/49/807177149.db2.gz AYWHOSAIXRKRAK-QWRGUYRKSA-N 2 2 266.345 0.159 20 0 CCADLP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246240034 807196472 /nfs/dbraw/zinc/19/64/72/807196472.db2.gz ZUBJYFNAQUWKBI-RDBSUJKOSA-N 3 2 266.433 0.543 20 0 CCADLP O[C@@]1(C[NH2+][C@@H]2CCC[NH2+]C2)CCOc2ccccc21 ZINC001246273022 807204686 /nfs/dbraw/zinc/20/46/86/807204686.db2.gz RPVPHTZUBLBQHX-IUODEOHRSA-N 2 2 262.353 0.998 20 0 CCADLP CCC[NH2+]CCN[C@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246272259 807204985 /nfs/dbraw/zinc/20/49/85/807204985.db2.gz UWPASHMMOYVBIB-NEPJUHHUSA-N 2 2 271.405 0.648 20 0 CCADLP CCC[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)[C@@H](O)C(=O)NC1CC1 ZINC001246290107 807208428 /nfs/dbraw/zinc/20/84/28/807208428.db2.gz CFAGWJTXGOQDJQ-RUZUBIRVSA-N 2 2 283.416 0.525 20 0 CCADLP CC[C@@]1(C(=O)OC)C[C@@H](NC2(C[NH3+])CCCC2)C[NH2+]1 ZINC001246285607 807209078 /nfs/dbraw/zinc/20/90/78/807209078.db2.gz HPVCXBOTPXPFJD-RISCZKNCSA-N 2 2 269.389 0.531 20 0 CCADLP O=C1CC[NH2+]C[C@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001246293906 807210589 /nfs/dbraw/zinc/21/05/89/807210589.db2.gz PVXLNPKGTNBVDM-HUUCEWRRSA-N 2 2 273.380 0.782 20 0 CCADLP O=C1CC[NH2+]C[C@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001246293906 807210594 /nfs/dbraw/zinc/21/05/94/807210594.db2.gz PVXLNPKGTNBVDM-HUUCEWRRSA-N 2 2 273.380 0.782 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCc2c(F)cc(F)cc2C1 ZINC001246302300 807214078 /nfs/dbraw/zinc/21/40/78/807214078.db2.gz CJGCAYYZJPIBAD-ITDIGPHOSA-N 2 2 282.334 0.992 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N2C[C@H](C[NH3+])c3ccccc32)C[NH2+]1 ZINC001246321824 807220982 /nfs/dbraw/zinc/22/09/82/807220982.db2.gz FKMRPPOPEABWCH-GVXVVHGQSA-N 2 2 275.352 0.452 20 0 CCADLP C[NH+](C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H]2CCCNC2)CC1 ZINC001246395550 807240188 /nfs/dbraw/zinc/24/01/88/807240188.db2.gz MZMXHOCOHZNWAP-MGPQQGTHSA-N 2 2 282.432 0.317 20 0 CCADLP COCCOc1cc(C[NH2+]C2CC[NH2+]CC2)ncn1 ZINC001246434598 807251503 /nfs/dbraw/zinc/25/15/03/807251503.db2.gz NQIALPRVFCOMFC-UHFFFAOYSA-N 2 2 266.345 0.343 20 0 CCADLP COc1cccc2c1C[C@@H]([NH2+]CCC[NH2+]CCC[NH3+])CO2 ZINC001246454314 807253903 /nfs/dbraw/zinc/25/39/03/807253903.db2.gz RNPNIZUOIQUXEH-CYBMUJFWSA-N 3 2 293.411 0.917 20 0 CCADLP F[C@H]1C[NH2+]CC[C@H]1C[NH2+]C1C[C@@H]2COC[C@H](C1)[NH2+]2 ZINC001246477378 807259905 /nfs/dbraw/zinc/25/99/05/807259905.db2.gz OWNJLZPLGGZTBJ-ZZIFITQXSA-N 3 2 257.353 0.043 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H](O)[C@@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246493359 807265266 /nfs/dbraw/zinc/26/52/66/807265266.db2.gz AQVQNDVQOWEWRS-NDKCEZKHSA-N 2 2 284.400 0.809 20 0 CCADLP CCOC(=O)C[C@H]1CC[C@@H]([N@@H+]2C[C@@H]([NH3+])[C@H](O)C2)C1 ZINC001246562232 807291188 /nfs/dbraw/zinc/29/11/88/807291188.db2.gz ZDFVTSXZSPDHFZ-IRCOFANPSA-N 2 2 256.346 0.112 20 0 CCADLP CCOC(=O)C[C@H]1CC[C@@H]([N@H+]2C[C@@H]([NH3+])[C@H](O)C2)C1 ZINC001246562232 807291190 /nfs/dbraw/zinc/29/11/90/807291190.db2.gz ZDFVTSXZSPDHFZ-IRCOFANPSA-N 2 2 256.346 0.112 20 0 CCADLP [NH3+]C[C@]1(F)CCCC[N@@H+]([C@@H]2CSC3(C[NH2+]C3)C2)C1 ZINC001246574220 807298588 /nfs/dbraw/zinc/29/85/88/807298588.db2.gz FPJPZNNOHSUJMN-NWDGAFQWSA-N 3 2 273.421 0.987 20 0 CCADLP [NH3+]C[C@]1(F)CCCC[N@H+]([C@@H]2CSC3(C[NH2+]C3)C2)C1 ZINC001246574220 807298594 /nfs/dbraw/zinc/29/85/94/807298594.db2.gz FPJPZNNOHSUJMN-NWDGAFQWSA-N 3 2 273.421 0.987 20 0 CCADLP CC1(C[NH3+])C[NH+]([C@H]2CCN[C@H](C(F)(F)F)C2)C1 ZINC001246599742 807314604 /nfs/dbraw/zinc/31/46/04/807314604.db2.gz QGDAPXZDXNURPL-IUCAKERBSA-N 2 2 251.296 0.950 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H](N2CCC(F)(F)[C@@H]([NH3+])C2)C[NH2+]1 ZINC001246595387 807315539 /nfs/dbraw/zinc/31/55/39/807315539.db2.gz HMWJQGKWIZLBQR-JBLDHEPKSA-N 2 2 291.342 0.338 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]([N@@H+]2CCC[C@]23CCC[NH2+]C3)CCN1 ZINC001246609736 807321986 /nfs/dbraw/zinc/32/19/86/807321986.db2.gz MYBLMUIPFZHWAZ-YCPHGPKFSA-N 2 2 295.427 0.888 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]([N@H+]2CCC[C@]23CCC[NH2+]C3)CCN1 ZINC001246609736 807321993 /nfs/dbraw/zinc/32/19/93/807321993.db2.gz MYBLMUIPFZHWAZ-YCPHGPKFSA-N 2 2 295.427 0.888 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H](N2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)C1 ZINC001246618632 807325556 /nfs/dbraw/zinc/32/55/56/807325556.db2.gz NCNLNAPYCSRNQR-MQYQWHSLSA-N 2 2 281.400 0.354 20 0 CCADLP C1C[C@H]2CC([N@@H+]3CCCO[C@@]4(C[NH2+]CCOC4)C3)C[C@@H]1[NH2+]2 ZINC001246665479 807349791 /nfs/dbraw/zinc/34/97/91/807349791.db2.gz HPTDAQWRXBLZLE-QXULXFAOSA-N 3 2 295.427 0.350 20 0 CCADLP C1C[C@H]2CC([N@H+]3CCCO[C@@]4(C[NH2+]CCOC4)C3)C[C@@H]1[NH2+]2 ZINC001246665479 807349797 /nfs/dbraw/zinc/34/97/97/807349797.db2.gz HPTDAQWRXBLZLE-QXULXFAOSA-N 3 2 295.427 0.350 20 0 CCADLP Cc1[nH+]c2c(n1[C@@H]1CCNC3(C[NH2+]C3)C1)CC[NH2+]CC2 ZINC001246660640 807350005 /nfs/dbraw/zinc/35/00/05/807350005.db2.gz FEBDYARACBGYSX-GFCCVEGCSA-N 3 2 275.400 0.146 20 0 CCADLP CNC(=O)[C@@H]1CCO[C@@H]2CC[N@@H+]([C@H]3CCC[NH2+]C3)C[C@H]21 ZINC001246703595 807361223 /nfs/dbraw/zinc/36/12/23/807361223.db2.gz KGNJMENFUOSAHL-RFQIPJPRSA-N 2 2 281.400 0.211 20 0 CCADLP CNC(=O)[C@@H]1CCO[C@@H]2CC[N@H+]([C@H]3CCC[NH2+]C3)C[C@H]21 ZINC001246703595 807361232 /nfs/dbraw/zinc/36/12/32/807361232.db2.gz KGNJMENFUOSAHL-RFQIPJPRSA-N 2 2 281.400 0.211 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N2CC([NH+]3CCC(F)CC3)C2)C[NH2+]1 ZINC001246837166 807400641 /nfs/dbraw/zinc/40/06/41/807400641.db2.gz ZRGJJCWFBVABKA-YPMHNXCESA-N 2 2 285.363 0.008 20 0 CCADLP CCN(CC[NH+]1CCCCC1)[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246846184 807403394 /nfs/dbraw/zinc/40/33/94/807403394.db2.gz NDMTXYWEXIEIGJ-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP COC(=O)[C@@H]([NH3+])[C@@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246926505 807430027 /nfs/dbraw/zinc/43/00/27/807430027.db2.gz UAMXCINMPSWMOR-YIPFDTCYSA-N 2 2 281.400 0.482 20 0 CCADLP C[C@@H]1CN(C2C[C@@H]3COC[C@H](C2)[N@@H+]3C)C[C@@H](C)[NH2+]1 ZINC001246961545 807442157 /nfs/dbraw/zinc/44/21/57/807442157.db2.gz BDRIUXUNJQCUAQ-DUJLVANISA-N 2 2 253.390 0.530 20 0 CCADLP C[C@@H]1CN(C2C[C@@H]3COC[C@H](C2)[N@H+]3C)C[C@@H](C)[NH2+]1 ZINC001246961545 807442159 /nfs/dbraw/zinc/44/21/59/807442159.db2.gz BDRIUXUNJQCUAQ-DUJLVANISA-N 2 2 253.390 0.530 20 0 CCADLP COc1ccc(-c2noc(C[C@@H]([NH3+])C[NH3+])n2)cc1OC ZINC001249129617 807544369 /nfs/dbraw/zinc/54/43/69/807544369.db2.gz OUJCRLOFXVEWFC-SECBINFHSA-N 2 2 278.312 0.582 20 0 CCADLP c1nn(CC[NH+]2CCCC2)cc1CC[NH+]1CCOCC1 ZINC001250276066 807587564 /nfs/dbraw/zinc/58/75/64/807587564.db2.gz XQZRBMRREOFPRU-UHFFFAOYSA-N 2 2 278.400 0.854 20 0 CCADLP C[NH+]1CCN(c2ncc(CCn3cc[nH+]c3)cn2)CC1 ZINC001250316254 807592693 /nfs/dbraw/zinc/59/26/93/807592693.db2.gz FJPPTOORPWYKAR-UHFFFAOYSA-N 2 2 272.356 0.668 20 0 CCADLP CCCC[NH+]1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC001251014152 807641579 /nfs/dbraw/zinc/64/15/79/807641579.db2.gz AKFFTCGWABQSAU-HNNXBMFYSA-N 2 2 285.432 0.097 20 0 CCADLP Cn1c[nH+]c2cccc(NC[C@@H](O)C[NH+]3CCOCC3)c21 ZINC001251031300 807649668 /nfs/dbraw/zinc/64/96/68/807649668.db2.gz JKVBGJMOQKCRPO-GFCCVEGCSA-N 2 2 290.367 0.678 20 0 CCADLP COCC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC001278673992 807919063 /nfs/dbraw/zinc/91/90/63/807919063.db2.gz YBIXKCQEZHLSPM-LBPRGKRZSA-N 2 2 280.372 0.425 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])NC[C@@](C)(O)c2ccccc2)CC1 ZINC001253116421 808005403 /nfs/dbraw/zinc/00/54/03/808005403.db2.gz JADDVHNGHYEPLC-OAHLLOKOSA-N 2 2 276.384 0.666 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC(c2nncn2C)CC1 ZINC001253188049 808023969 /nfs/dbraw/zinc/02/39/69/808023969.db2.gz NWFQJCUBWRPTES-CQSZACIVSA-N 2 2 295.431 0.697 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@@H](CC(=O)OC)C1 ZINC001253191611 808024334 /nfs/dbraw/zinc/02/43/34/808024334.db2.gz AZHBSLKOJBWKLX-UONOGXRCSA-N 2 2 286.416 0.964 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@@H](CC(=O)OC)C1 ZINC001253191611 808024338 /nfs/dbraw/zinc/02/43/38/808024338.db2.gz AZHBSLKOJBWKLX-UONOGXRCSA-N 2 2 286.416 0.964 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1C[C@H]2CCCC(=O)[C@@H]2C1 ZINC001253194729 808026990 /nfs/dbraw/zinc/02/69/90/808026990.db2.gz KCRZNDCCHALGDG-HZSPNIEDSA-N 2 2 268.401 0.990 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1C[C@H]2CCCC(=O)[C@@H]2C1 ZINC001253194729 808026991 /nfs/dbraw/zinc/02/69/91/808026991.db2.gz KCRZNDCCHALGDG-HZSPNIEDSA-N 2 2 268.401 0.990 20 0 CCADLP Cn1ncc2c1nc[nH+]c2NC[C@H](O)C[NH2+]C(C)(C)C ZINC001253385252 808051640 /nfs/dbraw/zinc/05/16/40/808051640.db2.gz OHAPAQWMNNTAFP-VIFPVBQESA-N 2 2 278.360 0.524 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH+]1CC2(C1)CCOCC2 ZINC001253391608 808054086 /nfs/dbraw/zinc/05/40/86/808054086.db2.gz UFUZUOIMMXRXJX-GFCCVEGCSA-N 2 2 256.390 0.848 20 0 CCADLP CCOC(=O)[C@H]1[C@@H]2C[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C[C@@H]21 ZINC001253394869 808055110 /nfs/dbraw/zinc/05/51/10/808055110.db2.gz UAVWRIORHCSGNX-NDBYEHHHSA-N 2 2 284.400 0.476 20 0 CCADLP CCOC(=O)[C@H]1[C@@H]2C[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C[C@@H]21 ZINC001253394869 808055114 /nfs/dbraw/zinc/05/51/14/808055114.db2.gz UAVWRIORHCSGNX-NDBYEHHHSA-N 2 2 284.400 0.476 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001253404318 808057961 /nfs/dbraw/zinc/05/79/61/808057961.db2.gz SPRKQHSISOWNKF-CRWXNKLISA-N 3 2 269.433 0.950 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001253404318 808057965 /nfs/dbraw/zinc/05/79/65/808057965.db2.gz SPRKQHSISOWNKF-CRWXNKLISA-N 3 2 269.433 0.950 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]Cc1cncn1CCF ZINC001253411468 808063935 /nfs/dbraw/zinc/06/39/35/808063935.db2.gz NSVFYDCQGOMYJX-LBPRGKRZSA-N 2 2 272.368 0.691 20 0 CCADLP CON(C)C(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001254139383 808189335 /nfs/dbraw/zinc/18/93/35/808189335.db2.gz BKKVYWZMJDGJHZ-LBPRGKRZSA-N 2 2 280.372 0.694 20 0 CCADLP CON(C)C(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001254139383 808189340 /nfs/dbraw/zinc/18/93/40/808189340.db2.gz BKKVYWZMJDGJHZ-LBPRGKRZSA-N 2 2 280.372 0.694 20 0 CCADLP O[C@@H]1CCCN(CC[NH2+][C@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254848347 808287143 /nfs/dbraw/zinc/28/71/43/808287143.db2.gz OUFGEGZHACCWMK-LSDHHAIUSA-N 2 2 267.417 0.517 20 0 CCADLP COC(=O)[C@@]12COC[C@@H]1C[N@@H+]([C@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254855189 808289288 /nfs/dbraw/zinc/28/92/88/808289288.db2.gz LPZIWMNWOUAWTA-DZKIICNBSA-N 2 2 294.395 0.592 20 0 CCADLP COC(=O)[C@@]12COC[C@@H]1C[N@H+]([C@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254855189 808289294 /nfs/dbraw/zinc/28/92/94/808289294.db2.gz LPZIWMNWOUAWTA-DZKIICNBSA-N 2 2 294.395 0.592 20 0 CCADLP CC1(C)CN([C@H]2CC3CC[NH+](CC3)C2)CC[N@@H+]1CC(N)=O ZINC001254860416 808290479 /nfs/dbraw/zinc/29/04/79/808290479.db2.gz MGIYEKROTYYGEK-AWEZNQCLSA-N 2 2 294.443 0.352 20 0 CCADLP CC1(C)CN([C@H]2CC3CC[NH+](CC3)C2)CC[N@H+]1CC(N)=O ZINC001254860416 808290487 /nfs/dbraw/zinc/29/04/87/808290487.db2.gz MGIYEKROTYYGEK-AWEZNQCLSA-N 2 2 294.443 0.352 20 0 CCADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)N[C@H]1CC[N@H+](C)C1 ZINC001255422855 808360749 /nfs/dbraw/zinc/36/07/49/808360749.db2.gz UNXDGFQUQCLAMN-STQMWFEESA-N 2 2 280.372 0.188 20 0 CCADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)N[C@H]1CC[N@@H+](C)C1 ZINC001255422855 808360758 /nfs/dbraw/zinc/36/07/58/808360758.db2.gz UNXDGFQUQCLAMN-STQMWFEESA-N 2 2 280.372 0.188 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NCc2ccc[nH+]c2N)CC[N@@H+]1C ZINC001255628622 808416311 /nfs/dbraw/zinc/41/63/11/808416311.db2.gz HEEJRCHEGAFCNI-KOLCDFICSA-N 2 2 263.345 0.556 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NCc2ccc[nH+]c2N)CC[N@H+]1C ZINC001255628622 808416318 /nfs/dbraw/zinc/41/63/18/808416318.db2.gz HEEJRCHEGAFCNI-KOLCDFICSA-N 2 2 263.345 0.556 20 0 CCADLP COC(=O)CO[C@H]1CC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256083802 808469949 /nfs/dbraw/zinc/46/99/49/808469949.db2.gz VKUQZBNXRIHRJV-AWEZNQCLSA-N 2 2 282.384 0.877 20 0 CCADLP COC(=O)CO[C@H]1CC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256083802 808469953 /nfs/dbraw/zinc/46/99/53/808469953.db2.gz VKUQZBNXRIHRJV-AWEZNQCLSA-N 2 2 282.384 0.877 20 0 CCADLP CCC[NH+]1C[C@H]2C[NH+](C3CCS(=O)(=O)CC3)C[C@@H]2C1 ZINC001256393163 808522891 /nfs/dbraw/zinc/52/28/91/808522891.db2.gz RDJKQEDPRKVCDF-STQMWFEESA-N 2 2 286.441 0.837 20 0 CCADLP OC[C@H]1C[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1O ZINC001256604588 808539157 /nfs/dbraw/zinc/53/91/57/808539157.db2.gz SVANMFUHVUBNDW-WBVHZDCISA-N 2 2 290.407 0.936 20 0 CCADLP OC[C@H]1C[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1O ZINC001256604588 808539162 /nfs/dbraw/zinc/53/91/62/808539162.db2.gz SVANMFUHVUBNDW-WBVHZDCISA-N 2 2 290.407 0.936 20 0 CCADLP COC(=O)CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)C(N)=O ZINC001257212513 808598831 /nfs/dbraw/zinc/59/88/31/808598831.db2.gz XEZKHJPJPXQUIV-LBPRGKRZSA-N 2 2 285.388 0.256 20 0 CCADLP CC[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001076107193 815244704 /nfs/dbraw/zinc/24/47/04/815244704.db2.gz LONUGOUFSWRCOW-QWHCGFSZSA-N 2 2 262.357 0.826 20 0 CCADLP CC[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001076107193 815244708 /nfs/dbraw/zinc/24/47/08/815244708.db2.gz LONUGOUFSWRCOW-QWHCGFSZSA-N 2 2 262.357 0.826 20 0 CCADLP CCn1ncnc1C[NH2+]CCCN1CC[NH+](C)CC1 ZINC001262028571 809163700 /nfs/dbraw/zinc/16/37/00/809163700.db2.gz RSFYGXWRDNPWNO-UHFFFAOYSA-N 2 2 266.393 0.025 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001262094736 809189198 /nfs/dbraw/zinc/18/91/98/809189198.db2.gz YRPWVMCEVJYGTA-NXEZZACHSA-N 2 2 251.334 0.489 20 0 CCADLP [NH3+]CCCSCCC(=O)NCCc1[nH]cc[nH+]1 ZINC001263100693 809443254 /nfs/dbraw/zinc/44/32/54/809443254.db2.gz VCMRMDIVWZLMKH-UHFFFAOYSA-N 2 2 256.375 0.541 20 0 CCADLP Cc1cc(CNC(=O)[C@H]2C[NH2+]CCN2C)cc(C)[nH+]1 ZINC001263131535 809455245 /nfs/dbraw/zinc/45/52/45/809455245.db2.gz WYQKYGBDSGHMSV-CYBMUJFWSA-N 2 2 262.357 0.218 20 0 CCADLP COc1cccc(OC[C@@H](O)C[NH2+]CC2C[NH+](C)C2)c1 ZINC000379439417 809513405 /nfs/dbraw/zinc/51/34/05/809513405.db2.gz NPHUQNNPAHTFJP-ZDUSSCGKSA-N 2 2 280.368 0.586 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[C@H]([NH2+]CCCO)C1 ZINC001263878125 809597350 /nfs/dbraw/zinc/59/73/50/809597350.db2.gz NGPVPDUQIIKXDU-HAQNSBGRSA-N 2 2 280.372 0.127 20 0 CCADLP COCC[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001264682493 809672334 /nfs/dbraw/zinc/67/23/34/809672334.db2.gz YCSQLPBURCUWIX-ZDUSSCGKSA-N 2 2 294.399 0.959 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@H+](CCO)C1CC1 ZINC001265182626 809720382 /nfs/dbraw/zinc/72/03/82/809720382.db2.gz JURSUOZPCBQGJE-UHFFFAOYSA-N 2 2 280.372 0.224 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@@H+](CCO)C1CC1 ZINC001265182626 809720386 /nfs/dbraw/zinc/72/03/86/809720386.db2.gz JURSUOZPCBQGJE-UHFFFAOYSA-N 2 2 280.372 0.224 20 0 CCADLP [NH3+][C@@H](CC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)C(F)F ZINC000724753449 811092925 /nfs/dbraw/zinc/09/29/25/811092925.db2.gz VROUNJMKBWDPIX-ZJUUUORDSA-N 2 2 261.316 0.666 20 0 CCADLP [NH3+][C@H](CC(=O)NCCC[NH+]1CCCCC1)C(F)F ZINC000724772848 811150879 /nfs/dbraw/zinc/15/08/79/811150879.db2.gz RYAKZVOSZDZCOS-SNVBAGLBSA-N 2 2 263.332 0.961 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]2CC[N@@H+](CCF)[C@@H]2C1 ZINC001042247410 811612566 /nfs/dbraw/zinc/61/25/66/811612566.db2.gz NYTYMTXJKNMYIU-WCQYABFASA-N 2 2 280.347 0.845 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]2CC[N@H+](CCF)[C@@H]2C1 ZINC001042247410 811612572 /nfs/dbraw/zinc/61/25/72/811612572.db2.gz NYTYMTXJKNMYIU-WCQYABFASA-N 2 2 280.347 0.845 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267657319 811623901 /nfs/dbraw/zinc/62/39/01/811623901.db2.gz QALGRUVSCJWBAK-NSHDSACASA-N 2 2 269.389 0.164 20 0 CCADLP C[NH2+]CCNc1cc(N2CCC(C(=O)OC)CC2)[nH+]cn1 ZINC001167721490 811654824 /nfs/dbraw/zinc/65/48/24/811654824.db2.gz BCKZSEWLQOGLMB-UHFFFAOYSA-N 2 2 293.371 0.497 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H]2C[NH2+]CC(F)(F)C2)C1 ZINC001219642803 811692292 /nfs/dbraw/zinc/69/22/92/811692292.db2.gz XXUDJUVKGQUXNT-HBNTYKKESA-N 2 2 275.343 0.593 20 0 CCADLP [NH3+]CCCCNC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001221347333 811766799 /nfs/dbraw/zinc/76/67/99/811766799.db2.gz RXHOSLVJOIHOOR-GFCCVEGCSA-N 3 2 250.346 0.114 20 0 CCADLP Cc1nc(N[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)cc[nH+]1 ZINC001058849161 812189394 /nfs/dbraw/zinc/18/93/94/812189394.db2.gz XHDNQFUVWNBKJC-STQMWFEESA-N 2 2 289.383 0.892 20 0 CCADLP Cc1nc(N[C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)cc[nH+]1 ZINC001058849161 812189400 /nfs/dbraw/zinc/18/94/00/812189400.db2.gz XHDNQFUVWNBKJC-STQMWFEESA-N 2 2 289.383 0.892 20 0 CCADLP COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001114956124 812442797 /nfs/dbraw/zinc/44/27/97/812442797.db2.gz BRBSNRGFBMWWHS-SCUASFONSA-N 2 2 292.383 0.281 20 0 CCADLP COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001114956124 812442804 /nfs/dbraw/zinc/44/28/04/812442804.db2.gz BRBSNRGFBMWWHS-SCUASFONSA-N 2 2 292.383 0.281 20 0 CCADLP COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001114956124 812442809 /nfs/dbraw/zinc/44/28/09/812442809.db2.gz BRBSNRGFBMWWHS-SCUASFONSA-N 2 2 292.383 0.281 20 0 CCADLP COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001114956124 812442815 /nfs/dbraw/zinc/44/28/15/812442815.db2.gz BRBSNRGFBMWWHS-SCUASFONSA-N 2 2 292.383 0.281 20 0 CCADLP C[C@H](CC[NH2+]C[C@H](C)O)NC(=O)CCc1[nH+]ccn1C ZINC001268388890 812538333 /nfs/dbraw/zinc/53/83/33/812538333.db2.gz XWCOUMPFWPZHCD-NEPJUHHUSA-N 2 2 282.388 0.218 20 0 CCADLP COc1ccc(-c2noc([C@H]3C[NH2+]C[C@@H]3[NH3+])n2)c(OC)c1 ZINC001211755458 812670780 /nfs/dbraw/zinc/67/07/80/812670780.db2.gz NXTSPZHIXZJSPY-QWRGUYRKSA-N 2 2 290.323 0.768 20 0 CCADLP CS(=O)(=O)Nc1cncc(NC(=[NH2+])SCC[NH3+])c1 ZINC001167916833 812678680 /nfs/dbraw/zinc/67/86/80/812678680.db2.gz YFEKSCXDXJGFKI-UHFFFAOYSA-N 2 2 289.386 0.492 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1c1nc(-c2ccc(-n3cccn3)nc2)no1 ZINC001211757930 812686432 /nfs/dbraw/zinc/68/64/32/812686432.db2.gz XUNWTHQTSXIPIL-QWRGUYRKSA-N 2 2 297.322 0.331 20 0 CCADLP O=C(NC/C=C\C[NH2+]Cc1ccon1)C12CC[NH+](CC1)C2 ZINC001268611782 812947820 /nfs/dbraw/zinc/94/78/20/812947820.db2.gz AQSXPCFPYILBRN-UPHRSURJSA-N 2 2 290.367 0.532 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC/C=C\C[NH2+]CC[C@H]1CCCO1 ZINC001268632577 812955557 /nfs/dbraw/zinc/95/55/57/812955557.db2.gz HQPXXBHMCCCTTI-DDGIKZQJSA-N 2 2 292.383 0.714 20 0 CCADLP C[C@H](C[NH2+]CC[C@H]1CCOC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001268662982 812989681 /nfs/dbraw/zinc/98/96/81/812989681.db2.gz DLODENQJHJOYDJ-NEPJUHHUSA-N 2 2 280.372 0.473 20 0 CCADLP CCOCC[N@H+](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001268748844 813060679 /nfs/dbraw/zinc/06/06/79/813060679.db2.gz MCMJNWGLKPFWCG-NSHDSACASA-N 2 2 268.361 0.425 20 0 CCADLP CCOCC[N@@H+](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001268748844 813060684 /nfs/dbraw/zinc/06/06/84/813060684.db2.gz MCMJNWGLKPFWCG-NSHDSACASA-N 2 2 268.361 0.425 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N(C)CCC[NH2+]CCO)c[nH+]1 ZINC001268800433 813092636 /nfs/dbraw/zinc/09/26/36/813092636.db2.gz NPVKGBWUUXFRBH-UHFFFAOYSA-N 2 2 282.388 0.357 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NC[C@H]2CC[N@H+](CCF)C2)no1 ZINC001028645555 813108509 /nfs/dbraw/zinc/10/85/09/813108509.db2.gz HVUZOFDATWTNKU-LLVKDONJSA-N 2 2 298.362 0.757 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NC[C@H]2CC[N@@H+](CCF)C2)no1 ZINC001028645555 813108513 /nfs/dbraw/zinc/10/85/13/813108513.db2.gz HVUZOFDATWTNKU-LLVKDONJSA-N 2 2 298.362 0.757 20 0 CCADLP CN(CCC[NH2+]CCCF)C(=O)Cc1[nH]cc[nH+]1 ZINC001268894241 813136925 /nfs/dbraw/zinc/13/69/25/813136925.db2.gz UJKRNAAACBXOLP-UHFFFAOYSA-N 2 2 256.325 0.750 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(O)(C(C)C)CC1 ZINC000710626476 813184052 /nfs/dbraw/zinc/18/40/52/813184052.db2.gz LYMDSELHHRFDTO-ZDUSSCGKSA-N 2 2 258.406 0.782 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(O)(C(C)C)CC1 ZINC000710626476 813184054 /nfs/dbraw/zinc/18/40/54/813184054.db2.gz LYMDSELHHRFDTO-ZDUSSCGKSA-N 2 2 258.406 0.782 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+](CCOCC2CC2)C1 ZINC001269096996 813214409 /nfs/dbraw/zinc/21/44/09/813214409.db2.gz LWNPLXWIQQTGQJ-AWEZNQCLSA-N 2 2 292.383 0.500 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+](CCOCC2CC2)C1 ZINC001269096996 813214414 /nfs/dbraw/zinc/21/44/14/813214414.db2.gz LWNPLXWIQQTGQJ-AWEZNQCLSA-N 2 2 292.383 0.500 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC1([NH2+]CC2CC2)CC1 ZINC001269522636 813402676 /nfs/dbraw/zinc/40/26/76/813402676.db2.gz RBTWTQSZCYWTCR-UHFFFAOYSA-N 2 2 262.357 0.611 20 0 CCADLP CCOCC[NH+]1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001269837733 813524891 /nfs/dbraw/zinc/52/48/91/813524891.db2.gz BDVVKNOEQZZBQA-UHFFFAOYSA-N 2 2 283.416 0.507 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@H+](CCF)C1 ZINC001028811264 813538331 /nfs/dbraw/zinc/53/83/31/813538331.db2.gz LAKQUFSIKRKJKR-JHJVBQTASA-N 2 2 294.374 0.931 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCF)C1 ZINC001028811264 813538338 /nfs/dbraw/zinc/53/83/38/813538338.db2.gz LAKQUFSIKRKJKR-JHJVBQTASA-N 2 2 294.374 0.931 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCF)C1 ZINC001028811265 813538388 /nfs/dbraw/zinc/53/83/88/813538388.db2.gz LAKQUFSIKRKJKR-YNEHKIRRSA-N 2 2 294.374 0.931 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCF)C1 ZINC001028811265 813538396 /nfs/dbraw/zinc/53/83/96/813538396.db2.gz LAKQUFSIKRKJKR-YNEHKIRRSA-N 2 2 294.374 0.931 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCCO)CCN1C(=O)Cc1c[nH+]cn1C ZINC001269981683 813572247 /nfs/dbraw/zinc/57/22/47/813572247.db2.gz PHKWJGUKUCHYAV-CHWSQXEVSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@H]1C[C@@H](C[NH2+]CCNC(=O)CCc2[nH]cc[nH+]2)CCO1 ZINC001126437158 813584367 /nfs/dbraw/zinc/58/43/67/813584367.db2.gz UDPYPWDQSQZOEB-STQMWFEESA-N 2 2 294.399 0.863 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]CCOCC(F)F ZINC001126436786 813584724 /nfs/dbraw/zinc/58/47/24/813584724.db2.gz MAZDJYZDGOMNSK-UHFFFAOYSA-N 2 2 290.314 0.330 20 0 CCADLP CC(C)OCC[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126448790 813641066 /nfs/dbraw/zinc/64/10/66/813641066.db2.gz YTZOMDJTWFATMH-UHFFFAOYSA-N 2 2 268.361 0.473 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]1C[NH2+]CCCF ZINC001270158839 813657273 /nfs/dbraw/zinc/65/72/73/813657273.db2.gz IMZRCYVHCFSBMQ-LLVKDONJSA-N 2 2 268.336 0.892 20 0 CCADLP C[N@H+]1C[C@H]2CN(C(=O)c3cccn4c[nH+]cc34)C[C@@H](C1)O2 ZINC001270602218 813833566 /nfs/dbraw/zinc/83/35/66/813833566.db2.gz AQCJLOXNHOGZKD-TXEJJXNPSA-N 2 2 286.335 0.489 20 0 CCADLP C[N@@H+]1C[C@H]2CN(C(=O)c3cccn4c[nH+]cc34)C[C@@H](C1)O2 ZINC001270602218 813833574 /nfs/dbraw/zinc/83/35/74/813833574.db2.gz AQCJLOXNHOGZKD-TXEJJXNPSA-N 2 2 286.335 0.489 20 0 CCADLP COCC[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001167978624 813883046 /nfs/dbraw/zinc/88/30/46/813883046.db2.gz NFTQPEINYYBRST-NSHDSACASA-N 2 2 268.361 0.331 20 0 CCADLP COCC[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001167978624 813883056 /nfs/dbraw/zinc/88/30/56/813883056.db2.gz NFTQPEINYYBRST-NSHDSACASA-N 2 2 268.361 0.331 20 0 CCADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC000909436959 814025377 /nfs/dbraw/zinc/02/53/77/814025377.db2.gz WTIBMFAAZQFESH-QLFBSQMISA-N 2 2 295.427 0.528 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC000909436959 814025383 /nfs/dbraw/zinc/02/53/83/814025383.db2.gz WTIBMFAAZQFESH-QLFBSQMISA-N 2 2 295.427 0.528 20 0 CCADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000909436959 814025386 /nfs/dbraw/zinc/02/53/86/814025386.db2.gz WTIBMFAAZQFESH-QLFBSQMISA-N 2 2 295.427 0.528 20 0 CCADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000909436959 814025393 /nfs/dbraw/zinc/02/53/93/814025393.db2.gz WTIBMFAAZQFESH-QLFBSQMISA-N 2 2 295.427 0.528 20 0 CCADLP COCCOC[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)[NH+](C)C ZINC001271146858 814208678 /nfs/dbraw/zinc/20/86/78/814208678.db2.gz GQHZJJMIMLEGAJ-IHRRRGAJSA-N 2 2 299.415 0.232 20 0 CCADLP COCCOC[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H](C)[NH+](C)C ZINC001271146858 814208681 /nfs/dbraw/zinc/20/86/81/814208681.db2.gz GQHZJJMIMLEGAJ-IHRRRGAJSA-N 2 2 299.415 0.232 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)C[NH+](Cc2ccc[nH]2)C3)C1 ZINC001271222645 814343225 /nfs/dbraw/zinc/34/32/25/814343225.db2.gz CHGJTMGHRKGQHM-ZDUSSCGKSA-N 2 2 288.395 0.611 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)N2CC3(C2)C[NH+](Cc2ccc[nH]2)C3)C1 ZINC001271222645 814343235 /nfs/dbraw/zinc/34/32/35/814343235.db2.gz CHGJTMGHRKGQHM-ZDUSSCGKSA-N 2 2 288.395 0.611 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001088219672 814447646 /nfs/dbraw/zinc/44/76/46/814447646.db2.gz PWTDDAYNRBIOIG-MCIONIFRSA-N 2 2 292.383 0.044 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001088219672 814447652 /nfs/dbraw/zinc/44/76/52/814447652.db2.gz PWTDDAYNRBIOIG-MCIONIFRSA-N 2 2 292.383 0.044 20 0 CCADLP CCOCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001271458751 814453674 /nfs/dbraw/zinc/45/36/74/814453674.db2.gz PHBGNHNVQYVZEU-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CCCO)C1 ZINC001271701355 814517140 /nfs/dbraw/zinc/51/71/40/814517140.db2.gz XFSZUKQHNIDKQP-AAEUAGOBSA-N 2 2 294.399 0.327 20 0 CCADLP CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1C[NH+](CC2CCC2)C1 ZINC001042569907 814540926 /nfs/dbraw/zinc/54/09/26/814540926.db2.gz JLCOLCTVQKQEJC-CQSZACIVSA-N 2 2 281.400 0.260 20 0 CCADLP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1C[NH+](CC2CCC2)C1 ZINC001042569907 814540932 /nfs/dbraw/zinc/54/09/32/814540932.db2.gz JLCOLCTVQKQEJC-CQSZACIVSA-N 2 2 281.400 0.260 20 0 CCADLP CC(C)[N@@H+]1CC[C@H]1C(=O)N1C[C@@H]2C[NH+](C)C[C@H](C1)O2 ZINC001271927070 814633448 /nfs/dbraw/zinc/63/34/48/814633448.db2.gz DWWHWWQVNMUXHZ-XQQFMLRXSA-N 2 2 267.373 0.011 20 0 CCADLP CC(C)[N@H+]1CC[C@H]1C(=O)N1C[C@@H]2C[NH+](C)C[C@H](C1)O2 ZINC001271927070 814633450 /nfs/dbraw/zinc/63/34/50/814633450.db2.gz DWWHWWQVNMUXHZ-XQQFMLRXSA-N 2 2 267.373 0.011 20 0 CCADLP CC(C)[NH+]1CC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@H](C1)O2 ZINC001271927070 814633451 /nfs/dbraw/zinc/63/34/51/814633451.db2.gz DWWHWWQVNMUXHZ-XQQFMLRXSA-N 2 2 267.373 0.011 20 0 CCADLP CC(C)[NH+]1CC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C)C[C@H](C1)O2 ZINC001271927070 814633452 /nfs/dbraw/zinc/63/34/52/814633452.db2.gz DWWHWWQVNMUXHZ-XQQFMLRXSA-N 2 2 267.373 0.011 20 0 CCADLP O=C(NC1C[NH+](CCCO)C1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001030306327 815969294 /nfs/dbraw/zinc/96/92/94/815969294.db2.gz PAIFPGVVJYXESY-TZMCWYRMSA-N 2 2 281.400 0.044 20 0 CCADLP O=C(NC1C[NH+](CCCO)C1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001030306327 815969298 /nfs/dbraw/zinc/96/92/98/815969298.db2.gz PAIFPGVVJYXESY-TZMCWYRMSA-N 2 2 281.400 0.044 20 0 CCADLP CC(C)[N@H+]1CCC[C@H]1CC(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001030441604 816040424 /nfs/dbraw/zinc/04/04/24/816040424.db2.gz BTXZQJPSCCBHTK-OCCSQVGLSA-N 2 2 283.416 0.431 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001030441604 816040429 /nfs/dbraw/zinc/04/04/29/816040429.db2.gz BTXZQJPSCCBHTK-OCCSQVGLSA-N 2 2 283.416 0.431 20 0 CCADLP Cn1c[nH+]cc1CN1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001030535158 816091610 /nfs/dbraw/zinc/09/16/10/816091610.db2.gz LOCGABXQZWQAGA-AWEZNQCLSA-N 2 2 291.399 0.205 20 0 CCADLP Cn1c[nH+]cc1CN1CC(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001030535158 816091617 /nfs/dbraw/zinc/09/16/17/816091617.db2.gz LOCGABXQZWQAGA-AWEZNQCLSA-N 2 2 291.399 0.205 20 0 CCADLP CC[C@H](C[NH+]1CC(NC(=O)C23CCC[NH+]2CCC3)C1)OC ZINC001030607754 816143850 /nfs/dbraw/zinc/14/38/50/816143850.db2.gz OHAXBONYDUEUNV-CQSZACIVSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CCCO ZINC001106068953 816149745 /nfs/dbraw/zinc/14/97/45/816149745.db2.gz SUVLDQCRWJWNRJ-CHWSQXEVSA-N 2 2 294.399 0.409 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001088981718 816202292 /nfs/dbraw/zinc/20/22/92/816202292.db2.gz JIJRBOUPJPZLSF-YPMHNXCESA-N 2 2 264.373 0.952 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001088981718 816202297 /nfs/dbraw/zinc/20/22/97/816202297.db2.gz JIJRBOUPJPZLSF-YPMHNXCESA-N 2 2 264.373 0.952 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC1C[NH+](CC[C@@H]2CCCO2)C1 ZINC001030684320 816215818 /nfs/dbraw/zinc/21/58/18/816215818.db2.gz VNCRVVKNVHKSTF-AWEZNQCLSA-N 2 2 292.383 0.561 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC1C[NH+](C[C@@H]2CCOC2)C1 ZINC001030683693 816217242 /nfs/dbraw/zinc/21/72/42/816217242.db2.gz UQIQTYFZFRZMLJ-LBPRGKRZSA-N 2 2 278.356 0.028 20 0 CCADLP CN1CCN(c2cc(NCCC[NH+](C)C)[nH+]cn2)CC1=O ZINC001120792449 816223113 /nfs/dbraw/zinc/22/31/13/816223113.db2.gz XTEOHWNWUYADTK-UHFFFAOYSA-N 2 2 292.387 0.119 20 0 CCADLP CN1CCN(c2cc(NCCC[NH+](C)C)nc[nH+]2)CC1=O ZINC001120792449 816223117 /nfs/dbraw/zinc/22/31/17/816223117.db2.gz XTEOHWNWUYADTK-UHFFFAOYSA-N 2 2 292.387 0.119 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001030737683 816258180 /nfs/dbraw/zinc/25/81/80/816258180.db2.gz GVTOHRNJYROHJX-IUODEOHRSA-N 2 2 295.427 0.696 20 0 CCADLP COCC[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001030843155 816336920 /nfs/dbraw/zinc/33/69/20/816336920.db2.gz LYOCRYNYQYFORC-RYUDHWBXSA-N 2 2 269.389 0.164 20 0 CCADLP COCC[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001030843155 816336925 /nfs/dbraw/zinc/33/69/25/816336925.db2.gz LYOCRYNYQYFORC-RYUDHWBXSA-N 2 2 269.389 0.164 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@@H](CO)Nc1cc[nH+]c(C)n1 ZINC001121888504 816469064 /nfs/dbraw/zinc/46/90/64/816469064.db2.gz SPTVSIMDWQNGPH-LBPRGKRZSA-N 2 2 295.387 0.016 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@@H](CO)Nc1cc[nH+]c(C)n1 ZINC001121888504 816469070 /nfs/dbraw/zinc/46/90/70/816469070.db2.gz SPTVSIMDWQNGPH-LBPRGKRZSA-N 2 2 295.387 0.016 20 0 CCADLP C[C@H]1CCC[N@@H+]1CC(=O)NC1C[NH+](C[C@@H]2CCCCO2)C1 ZINC001030956200 816499712 /nfs/dbraw/zinc/49/97/12/816499712.db2.gz VCZJOSFCRFTCNN-ZFWWWQNUSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@H]1CCC[N@H+]1CC(=O)NC1C[NH+](C[C@@H]2CCCCO2)C1 ZINC001030956200 816499717 /nfs/dbraw/zinc/49/97/17/816499717.db2.gz VCZJOSFCRFTCNN-ZFWWWQNUSA-N 2 2 295.427 0.840 20 0 CCADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001031044899 816603630 /nfs/dbraw/zinc/60/36/30/816603630.db2.gz GLDNUROSEBAKCP-AWEZNQCLSA-N 2 2 283.416 0.432 20 0 CCADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001031044899 816603634 /nfs/dbraw/zinc/60/36/34/816603634.db2.gz GLDNUROSEBAKCP-AWEZNQCLSA-N 2 2 283.416 0.432 20 0 CCADLP CC(=O)N1CCC(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001235071871 816803326 /nfs/dbraw/zinc/80/33/26/816803326.db2.gz DLUKUHGHOMCDBT-ZIAGYGMSSA-N 2 2 251.374 0.681 20 0 CCADLP CC(=O)N1CCC(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001235071871 816803335 /nfs/dbraw/zinc/80/33/35/816803335.db2.gz DLUKUHGHOMCDBT-ZIAGYGMSSA-N 2 2 251.374 0.681 20 0 CCADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](CCO)C[C@@H]3C2)cn1 ZINC001235530415 816888041 /nfs/dbraw/zinc/88/80/41/816888041.db2.gz MWIYSHOEIKVDQX-KGLIPLIRSA-N 2 2 264.373 0.166 20 0 CCADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](CCO)C[C@@H]3C2)cn1 ZINC001235530415 816888050 /nfs/dbraw/zinc/88/80/50/816888050.db2.gz MWIYSHOEIKVDQX-KGLIPLIRSA-N 2 2 264.373 0.166 20 0 CCADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](CCO)C[C@@H]3C2)cn1 ZINC001235530415 816888054 /nfs/dbraw/zinc/88/80/54/816888054.db2.gz MWIYSHOEIKVDQX-KGLIPLIRSA-N 2 2 264.373 0.166 20 0 CCADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](CCO)C[C@@H]3C2)cn1 ZINC001235530415 816888058 /nfs/dbraw/zinc/88/80/58/816888058.db2.gz MWIYSHOEIKVDQX-KGLIPLIRSA-N 2 2 264.373 0.166 20 0 CCADLP C[C@H](O)C[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001168499035 816888987 /nfs/dbraw/zinc/88/89/87/816888987.db2.gz FRWZOFLUFUCZSA-LBPRGKRZSA-N 2 2 280.372 0.140 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001031392003 817027340 /nfs/dbraw/zinc/02/73/40/817027340.db2.gz REFHHXMSPXYPBV-SNVBAGLBSA-N 2 2 266.345 0.027 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+](CC3CC(C)C3)C2)C1 ZINC001031417995 817041259 /nfs/dbraw/zinc/04/12/59/817041259.db2.gz FSBIINAZMBZBMQ-SSDMNJCBSA-N 2 2 295.427 0.554 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NC2C[NH+](CC3CC(C)C3)C2)C1 ZINC001031417995 817041267 /nfs/dbraw/zinc/04/12/67/817041267.db2.gz FSBIINAZMBZBMQ-SSDMNJCBSA-N 2 2 295.427 0.554 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC1C[NH+](CC[C@@H]2CCCCO2)C1 ZINC001031476293 817071979 /nfs/dbraw/zinc/07/19/79/817071979.db2.gz GHBZYMVLXFGJLA-AWEZNQCLSA-N 2 2 292.383 0.643 20 0 CCADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(OCC(N)=O)cc1 ZINC000382980305 817135779 /nfs/dbraw/zinc/13/57/79/817135779.db2.gz XOJSIUXPYDKTJL-JTQLQIEISA-N 2 2 251.330 0.330 20 0 CCADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(OCC(N)=O)cc1 ZINC000382980305 817135785 /nfs/dbraw/zinc/13/57/85/817135785.db2.gz XOJSIUXPYDKTJL-JTQLQIEISA-N 2 2 251.330 0.330 20 0 CCADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3CCC[N@H+]3C)C2)on1 ZINC001031578505 817156647 /nfs/dbraw/zinc/15/66/47/817156647.db2.gz ZJHKUHYFIHUIMK-CQSZACIVSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)on1 ZINC001031578505 817156650 /nfs/dbraw/zinc/15/66/50/817156650.db2.gz ZJHKUHYFIHUIMK-CQSZACIVSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)NCC3C[NH+](CCO)C3)ccn12 ZINC001031670358 817234194 /nfs/dbraw/zinc/23/41/94/817234194.db2.gz HFXKDNXAUKLEHF-UHFFFAOYSA-N 2 2 288.351 0.297 20 0 CCADLP CC(C)[NH+]1CC(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001031787912 817366182 /nfs/dbraw/zinc/36/61/82/817366182.db2.gz GORABVMRUSUCSN-ZDUSSCGKSA-N 2 2 276.384 0.902 20 0 CCADLP C[NH+](C)Cc1ccoc1C(=O)NCC1C[NH+](CCF)C1 ZINC001031930893 817473705 /nfs/dbraw/zinc/47/37/05/817473705.db2.gz CNBYNXSWRGENFB-UHFFFAOYSA-N 2 2 283.347 0.972 20 0 CCADLP CC(C)c1nnc(C[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001124835855 817590018 /nfs/dbraw/zinc/59/00/18/817590018.db2.gz BPSWTVVXFRIQKE-LLVKDONJSA-N 2 2 295.387 0.493 20 0 CCADLP CC(C)c1nnc(C[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001124835855 817590024 /nfs/dbraw/zinc/59/00/24/817590024.db2.gz BPSWTVVXFRIQKE-LLVKDONJSA-N 2 2 295.387 0.493 20 0 CCADLP COC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001032814970 818039829 /nfs/dbraw/zinc/03/98/29/818039829.db2.gz SMBLZVUMMCXIKQ-AGIUHOORSA-N 2 2 278.356 0.203 20 0 CCADLP COC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001032814970 818039835 /nfs/dbraw/zinc/03/98/35/818039835.db2.gz SMBLZVUMMCXIKQ-AGIUHOORSA-N 2 2 278.356 0.203 20 0 CCADLP CCC[N@@H+]1CCn2ncc(CNC(=O)CC[NH+](C)C)c2C1 ZINC001128466612 818270333 /nfs/dbraw/zinc/27/03/33/818270333.db2.gz FQMWZZFOHXLQEA-UHFFFAOYSA-N 2 2 293.415 0.677 20 0 CCADLP CCC[N@H+]1CCn2ncc(CNC(=O)CC[NH+](C)C)c2C1 ZINC001128466612 818270339 /nfs/dbraw/zinc/27/03/39/818270339.db2.gz FQMWZZFOHXLQEA-UHFFFAOYSA-N 2 2 293.415 0.677 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cc(N)c(F)cn2)CC1 ZINC001168735249 818533807 /nfs/dbraw/zinc/53/38/07/818533807.db2.gz KNBPBSZNPKSDRK-UHFFFAOYSA-N 2 2 252.297 0.397 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cncc(Br)n2)CC1 ZINC001168736755 818550374 /nfs/dbraw/zinc/55/03/74/818550374.db2.gz KBRMIFKFAKLUGC-UHFFFAOYSA-N 2 2 299.176 0.833 20 0 CCADLP COC(=O)c1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)nc1 ZINC001168736942 818556554 /nfs/dbraw/zinc/55/65/54/818556554.db2.gz SZCCFKZQVCHQBY-UHFFFAOYSA-N 2 2 277.328 0.462 20 0 CCADLP COc1ncnc(Cl)c1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168740006 818595242 /nfs/dbraw/zinc/59/52/42/818595242.db2.gz AEFAMLQOYZTVDX-UHFFFAOYSA-N 2 2 284.751 0.733 20 0 CCADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033595386 818844159 /nfs/dbraw/zinc/84/41/59/818844159.db2.gz SMAAKKXVBKCUJL-LLVKDONJSA-N 2 2 250.346 0.515 20 0 CCADLP CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033595386 818844164 /nfs/dbraw/zinc/84/41/64/818844164.db2.gz SMAAKKXVBKCUJL-LLVKDONJSA-N 2 2 250.346 0.515 20 0 CCADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001033787126 818934394 /nfs/dbraw/zinc/93/43/94/818934394.db2.gz CICJAXIOAAKKCI-LSDHHAIUSA-N 2 2 297.443 0.896 20 0 CCADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001033787126 818934398 /nfs/dbraw/zinc/93/43/98/818934398.db2.gz CICJAXIOAAKKCI-LSDHHAIUSA-N 2 2 297.443 0.896 20 0 CCADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](CC(C)C)C1 ZINC001033787126 818934400 /nfs/dbraw/zinc/93/44/00/818934400.db2.gz CICJAXIOAAKKCI-LSDHHAIUSA-N 2 2 297.443 0.896 20 0 CCADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](CC(C)C)C1 ZINC001033787126 818934405 /nfs/dbraw/zinc/93/44/05/818934405.db2.gz CICJAXIOAAKKCI-LSDHHAIUSA-N 2 2 297.443 0.896 20 0 CCADLP COC(=O)C1(C)CCC([NH2+]C2(C[NH3+])COC2)CC1 ZINC001168752827 818975234 /nfs/dbraw/zinc/97/52/34/818975234.db2.gz VRFWUCCYTMYDNY-UHFFFAOYSA-N 2 2 256.346 0.426 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(O)c(F)c2)C1 ZINC000702593080 819148663 /nfs/dbraw/zinc/14/86/63/819148663.db2.gz IAYXXDMLIQZRAG-CYBMUJFWSA-N 2 2 254.305 0.688 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(O)c(F)c2)C1 ZINC000702593080 819148665 /nfs/dbraw/zinc/14/86/65/819148665.db2.gz IAYXXDMLIQZRAG-CYBMUJFWSA-N 2 2 254.305 0.688 20 0 CCADLP COc1cncc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1 ZINC000702629211 819153999 /nfs/dbraw/zinc/15/39/99/819153999.db2.gz RIIMQXHGWVDXCW-CYBMUJFWSA-N 2 2 251.330 0.246 20 0 CCADLP COc1cncc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000702629211 819154002 /nfs/dbraw/zinc/15/40/02/819154002.db2.gz RIIMQXHGWVDXCW-CYBMUJFWSA-N 2 2 251.330 0.246 20 0 CCADLP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001035393125 819506114 /nfs/dbraw/zinc/50/61/14/819506114.db2.gz VDRYKDIDXSYBPT-QWHCGFSZSA-N 2 2 292.383 0.597 20 0 CCADLP CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001035393125 819506117 /nfs/dbraw/zinc/50/61/17/819506117.db2.gz VDRYKDIDXSYBPT-QWHCGFSZSA-N 2 2 292.383 0.597 20 0 CCADLP C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[C@@H]1[NH2+]CCO ZINC001036275862 819722720 /nfs/dbraw/zinc/72/27/20/819722720.db2.gz KVVHHPSZNKWNRE-JSGCOSHPSA-N 2 2 294.399 0.172 20 0 CCADLP Cn1ccnc1C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710672544 819864630 /nfs/dbraw/zinc/86/46/30/819864630.db2.gz SLQGILSDBHYVGE-UHFFFAOYSA-N 2 2 252.362 0.309 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](O)C1 ZINC001090362457 820298617 /nfs/dbraw/zinc/29/86/17/820298617.db2.gz XVYHSMSDPYBJSR-TZMCWYRMSA-N 2 2 288.351 0.748 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](O)C1 ZINC001090362457 820298626 /nfs/dbraw/zinc/29/86/26/820298626.db2.gz XVYHSMSDPYBJSR-TZMCWYRMSA-N 2 2 288.351 0.748 20 0 CCADLP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001079962718 820491166 /nfs/dbraw/zinc/49/11/66/820491166.db2.gz YGXOTPAVUTYTCX-QMTHXVAHSA-N 2 2 288.351 0.605 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001079962718 820491172 /nfs/dbraw/zinc/49/11/72/820491172.db2.gz YGXOTPAVUTYTCX-QMTHXVAHSA-N 2 2 288.351 0.605 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001079992064 820497234 /nfs/dbraw/zinc/49/72/34/820497234.db2.gz XPTUEFHNJMQGHK-YRGRVCCFSA-N 2 2 276.384 0.902 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001079992064 820497238 /nfs/dbraw/zinc/49/72/38/820497238.db2.gz XPTUEFHNJMQGHK-YRGRVCCFSA-N 2 2 276.384 0.902 20 0 CCADLP CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001082572491 821000931 /nfs/dbraw/zinc/00/09/31/821000931.db2.gz FOAAUAMLUDCQNW-PRULPYPASA-N 2 2 262.357 0.970 20 0 CCADLP CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001082572491 821000942 /nfs/dbraw/zinc/00/09/42/821000942.db2.gz FOAAUAMLUDCQNW-PRULPYPASA-N 2 2 262.357 0.970 20 0 CCADLP Cc1nc(N2CC[NH2+][C@@H](C(N)=O)C2)cc(C(C)C)[nH+]1 ZINC001166723867 821299875 /nfs/dbraw/zinc/29/98/75/821299875.db2.gz LIULXWOBVHJPFI-LLVKDONJSA-N 2 2 263.345 0.172 20 0 CCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCF)CC[N@@H+]1C ZINC001085605204 821848661 /nfs/dbraw/zinc/84/86/61/821848661.db2.gz CPNVXWTWUDPHRN-FRRDWIJNSA-N 2 2 271.380 0.829 20 0 CCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCF)CC[N@H+]1C ZINC001085605204 821848675 /nfs/dbraw/zinc/84/86/75/821848675.db2.gz CPNVXWTWUDPHRN-FRRDWIJNSA-N 2 2 271.380 0.829 20 0 CCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2CCF)CC[NH+]1C ZINC001085605204 821848681 /nfs/dbraw/zinc/84/86/81/821848681.db2.gz CPNVXWTWUDPHRN-FRRDWIJNSA-N 2 2 271.380 0.829 20 0 CCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[N@H+]2CCF)CC[NH+]1C ZINC001085605204 821848691 /nfs/dbraw/zinc/84/86/91/821848691.db2.gz CPNVXWTWUDPHRN-FRRDWIJNSA-N 2 2 271.380 0.829 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001085676546 821887165 /nfs/dbraw/zinc/88/71/65/821887165.db2.gz SDOMCMYYBAPGHH-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001085676546 821887173 /nfs/dbraw/zinc/88/71/73/821887173.db2.gz SDOMCMYYBAPGHH-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP O=C1CC[C@H](CNc2ccc(N3CC[NH2+]CC3)c[nH+]2)N1 ZINC001156151965 822325111 /nfs/dbraw/zinc/32/51/11/822325111.db2.gz ZBAIWMLKXDGXCS-LLVKDONJSA-N 2 2 275.356 0.182 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)C[N@@H+](C)C2CCC2)o1 ZINC001129526477 837519603 /nfs/dbraw/zinc/51/96/03/837519603.db2.gz ISEFMUDXIUVPRJ-UHFFFAOYSA-N 2 2 280.372 0.673 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)C[N@H+](C)C2CCC2)o1 ZINC001129526477 837519611 /nfs/dbraw/zinc/51/96/11/837519611.db2.gz ISEFMUDXIUVPRJ-UHFFFAOYSA-N 2 2 280.372 0.673 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C)s1 ZINC001129946991 837597586 /nfs/dbraw/zinc/59/75/86/837597586.db2.gz DMGNWPPRUOBYKH-LBPRGKRZSA-N 2 2 299.444 0.639 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cncc(Cl)n2)CC1 ZINC001157914318 837691494 /nfs/dbraw/zinc/69/14/94/837691494.db2.gz BJLLPXSWYOJLSF-UHFFFAOYSA-N 2 2 254.725 0.724 20 0 CCADLP COCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001183403822 844012804 /nfs/dbraw/zinc/01/28/04/844012804.db2.gz YBZCJYNUGZWZFU-JHJVBQTASA-N 2 2 292.383 0.740 20 0 CCADLP COCCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001183403822 844012810 /nfs/dbraw/zinc/01/28/10/844012810.db2.gz YBZCJYNUGZWZFU-JHJVBQTASA-N 2 2 292.383 0.740 20 0 CCADLP CC[C@@H](C[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)OC ZINC001130403911 837785918 /nfs/dbraw/zinc/78/59/18/837785918.db2.gz DQLWQHFYESMORY-OCCSQVGLSA-N 2 2 294.399 0.576 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)CC)o1 ZINC001130418917 837793674 /nfs/dbraw/zinc/79/36/74/837793674.db2.gz CFFJJTXWXJOHJR-UHFFFAOYSA-N 2 2 297.403 0.568 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)C(C)(C)[N@H+](C)CC)o1 ZINC001130418917 837793680 /nfs/dbraw/zinc/79/36/80/837793680.db2.gz CFFJJTXWXJOHJR-UHFFFAOYSA-N 2 2 297.403 0.568 20 0 CCADLP O=C(NCC[NH2+]CCF)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130487189 837808336 /nfs/dbraw/zinc/80/83/36/837808336.db2.gz CKSKKYOMDRAXKC-SNVBAGLBSA-N 2 2 254.309 0.121 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001183563233 844036904 /nfs/dbraw/zinc/03/69/04/844036904.db2.gz WYDCOQNIWGZFEV-CYBMUJFWSA-N 2 2 294.399 0.764 20 0 CCADLP O=C(NCC[NH+]1CC2(COC2)C1)C12CCC[NH+]1CCC2 ZINC001183559511 844037051 /nfs/dbraw/zinc/03/70/51/844037051.db2.gz BWTGKRGMYZZEOL-UHFFFAOYSA-N 2 2 279.384 0.063 20 0 CCADLP C[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001183574722 844044879 /nfs/dbraw/zinc/04/48/79/844044879.db2.gz QZHSFEKCFCNABW-CQSZACIVSA-N 2 2 273.380 0.939 20 0 CCADLP C[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001183574722 844044886 /nfs/dbraw/zinc/04/48/86/844044886.db2.gz QZHSFEKCFCNABW-CQSZACIVSA-N 2 2 273.380 0.939 20 0 CCADLP C[N@@H+]1CCC[C@H](NC(=O)CCc2ccc(N)[nH+]c2)C1 ZINC001183934709 844113089 /nfs/dbraw/zinc/11/30/89/844113089.db2.gz AXVXCIQTDADMLI-LBPRGKRZSA-N 2 2 262.357 0.807 20 0 CCADLP C[N@H+]1CCC[C@H](NC(=O)CCc2ccc(N)[nH+]c2)C1 ZINC001183934709 844113093 /nfs/dbraw/zinc/11/30/93/844113093.db2.gz AXVXCIQTDADMLI-LBPRGKRZSA-N 2 2 262.357 0.807 20 0 CCADLP C[NH+](C)C[C@H]1COCCN1C(=O)CCc1ccc(N)[nH+]c1 ZINC001183933398 844113563 /nfs/dbraw/zinc/11/35/63/844113563.db2.gz LICHSFHPBNLETI-ZDUSSCGKSA-N 2 2 292.383 0.385 20 0 CCADLP [NH3+]Cc1nnnn1-c1c(Br)ccc2[nH+]ccn21 ZINC001168924450 836059476 /nfs/dbraw/zinc/05/94/76/836059476.db2.gz XMKWFSQZGFHMLD-UHFFFAOYSA-N 2 2 294.116 0.531 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc2cc[nH]c2cn1 ZINC001169067034 836122966 /nfs/dbraw/zinc/12/29/66/836122966.db2.gz LXJOQGQJUKGJLE-SNVBAGLBSA-N 2 2 257.297 0.611 20 0 CCADLP COC(=O)c1nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ccc1C ZINC001169067904 836124312 /nfs/dbraw/zinc/12/43/12/836124312.db2.gz ZPSCXTMCNCRUHQ-SNVBAGLBSA-N 2 2 290.323 0.224 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nccnc1C(F)F ZINC001169072994 836125514 /nfs/dbraw/zinc/12/55/14/836125514.db2.gz XRXXXIDSFBJOFP-SSDOTTSWSA-N 2 2 269.255 0.462 20 0 CCADLP CC[C@H](C)[C@H](Nc1[nH+]cccc1N1CC[NH2+]CC1)C(N)=O ZINC001169150293 836156054 /nfs/dbraw/zinc/15/60/54/836156054.db2.gz TYAXQXMPWUYLQB-AAEUAGOBSA-N 2 2 291.399 0.803 20 0 CCADLP CCn1ccc(C[NH2+]CCCNC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001169211830 836159829 /nfs/dbraw/zinc/15/98/29/836159829.db2.gz KMIZPRJPEBQKCS-UHFFFAOYSA-N 2 2 290.371 0.465 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]C[C@H]1CCCCO1 ZINC001169211968 836160560 /nfs/dbraw/zinc/16/05/60/836160560.db2.gz NHQQXSSWMRHPIW-GFCCVEGCSA-N 2 2 280.372 0.617 20 0 CCADLP C[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001109386294 836668554 /nfs/dbraw/zinc/66/85/54/836668554.db2.gz VHPQSGDVJSNSIM-ZZVYKPCYSA-N 2 2 292.383 0.445 20 0 CCADLP C[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001109386294 836668561 /nfs/dbraw/zinc/66/85/61/836668561.db2.gz VHPQSGDVJSNSIM-ZZVYKPCYSA-N 2 2 292.383 0.445 20 0 CCADLP C[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001109386294 836668565 /nfs/dbraw/zinc/66/85/65/836668565.db2.gz VHPQSGDVJSNSIM-ZZVYKPCYSA-N 2 2 292.383 0.445 20 0 CCADLP C[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001109386294 836668572 /nfs/dbraw/zinc/66/85/72/836668572.db2.gz VHPQSGDVJSNSIM-ZZVYKPCYSA-N 2 2 292.383 0.445 20 0 CCADLP CC/C=C/CC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001112742017 836890917 /nfs/dbraw/zinc/89/09/17/836890917.db2.gz LIESMEUXBYBHDM-MBVDDHJVSA-N 2 2 295.427 0.818 20 0 CCADLP CC/C=C/CC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001112742017 836890928 /nfs/dbraw/zinc/89/09/28/836890928.db2.gz LIESMEUXBYBHDM-MBVDDHJVSA-N 2 2 295.427 0.818 20 0 CCADLP C[C@H](O)CCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001113019277 836999960 /nfs/dbraw/zinc/99/99/60/836999960.db2.gz LVODNBJLOUXNKZ-LSDHHAIUSA-N 2 2 297.443 0.776 20 0 CCADLP C[C@H](O)CCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001113019277 836999967 /nfs/dbraw/zinc/99/99/67/836999967.db2.gz LVODNBJLOUXNKZ-LSDHHAIUSA-N 2 2 297.443 0.776 20 0 CCADLP CC[N@H+](C)CCC(=O)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC001113497342 837134368 /nfs/dbraw/zinc/13/43/68/837134368.db2.gz QIICLJBSTUKDGJ-UHFFFAOYSA-N 2 2 293.415 0.406 20 0 CCADLP CC[N@@H+](C)CCC(=O)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC001113497342 837134374 /nfs/dbraw/zinc/13/43/74/837134374.db2.gz QIICLJBSTUKDGJ-UHFFFAOYSA-N 2 2 293.415 0.406 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001130713189 837901129 /nfs/dbraw/zinc/90/11/29/837901129.db2.gz GCXCXUWVCPSJDD-CYBMUJFWSA-N 2 2 295.387 0.396 20 0 CCADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001130713189 837901135 /nfs/dbraw/zinc/90/11/35/837901135.db2.gz GCXCXUWVCPSJDD-CYBMUJFWSA-N 2 2 295.387 0.396 20 0 CCADLP COc1cncnc1N1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158258920 838008896 /nfs/dbraw/zinc/00/88/96/838008896.db2.gz MAWXEQPVDBORJS-NSHDSACASA-N 2 2 277.372 0.487 20 0 CCADLP COc1cncnc1N1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158258920 838008901 /nfs/dbraw/zinc/00/89/01/838008901.db2.gz MAWXEQPVDBORJS-NSHDSACASA-N 2 2 277.372 0.487 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001131380437 838076974 /nfs/dbraw/zinc/07/69/74/838076974.db2.gz LTRFRMQILGHVLP-UHFFFAOYSA-N 2 2 288.355 0.196 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC[NH2+]CC1CC1 ZINC001131822063 838229782 /nfs/dbraw/zinc/22/97/82/838229782.db2.gz IDUZCOAOARIXON-AWEZNQCLSA-N 2 2 283.416 0.603 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC[NH2+]CC1CC1 ZINC001131822063 838229770 /nfs/dbraw/zinc/22/97/70/838229770.db2.gz IDUZCOAOARIXON-AWEZNQCLSA-N 2 2 283.416 0.603 20 0 CCADLP Cc1ccncc1C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132079925 838313257 /nfs/dbraw/zinc/31/32/57/838313257.db2.gz SSOQNOYORTYHEA-UHFFFAOYSA-N 2 2 287.367 0.883 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]CCOCC1CCC1 ZINC001132081938 838313340 /nfs/dbraw/zinc/31/33/40/838313340.db2.gz GYRNZMVBOKBMGE-UHFFFAOYSA-N 2 2 294.399 0.796 20 0 CCADLP COc1cc(C[NH2+]CCNC(=O)CCn2cc[nH+]c2)on1 ZINC001132082819 838314842 /nfs/dbraw/zinc/31/48/42/838314842.db2.gz WSEYPJXCBBMDIL-UHFFFAOYSA-N 2 2 293.327 0.176 20 0 CCADLP CCc1nnc([C@H](C)[NH2+]CCNC(=O)CCC[NH+](C)C)o1 ZINC001133051952 838543426 /nfs/dbraw/zinc/54/34/26/838543426.db2.gz WCMPHXGXAVODNK-NSHDSACASA-N 2 2 297.403 0.741 20 0 CCADLP C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C[NH2+]CCCO ZINC001133194508 838573631 /nfs/dbraw/zinc/57/36/31/838573631.db2.gz GUTPGERBFFHDAJ-STQMWFEESA-N 2 2 294.399 0.409 20 0 CCADLP C[NH+]1CCC(C(=O)NCC[NH2+]Cc2ncccn2)CC1 ZINC001133286072 838587970 /nfs/dbraw/zinc/58/79/70/838587970.db2.gz VWYUHYHPKSCXQL-UHFFFAOYSA-N 2 2 277.372 0.024 20 0 CCADLP C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C[NH2+]CCCO ZINC001133355269 838608954 /nfs/dbraw/zinc/60/89/54/838608954.db2.gz WYRHMHWHRFOIMU-KBPBESRZSA-N 2 2 294.399 0.340 20 0 CCADLP O=C(NCC[NH2+]CCF)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001133664443 838691226 /nfs/dbraw/zinc/69/12/26/838691226.db2.gz REYMYZFJFQQAAN-VIFPVBQESA-N 2 2 254.309 0.505 20 0 CCADLP CC(C)[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001133667683 838692081 /nfs/dbraw/zinc/69/20/81/838692081.db2.gz IXGWCAWPKPGDQS-SNVBAGLBSA-N 2 2 250.346 0.944 20 0 CCADLP C[C@H](C[C@H](C)NC(=O)c1cccc2[nH+]ccn21)[NH2+]CCO ZINC001134965534 839130909 /nfs/dbraw/zinc/13/09/09/839130909.db2.gz XXRZLVROUKFMNU-NEPJUHHUSA-N 2 2 290.367 0.813 20 0 CCADLP COCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001135056918 839142872 /nfs/dbraw/zinc/14/28/72/839142872.db2.gz PJNRWFYVGXWJIU-CHWSQXEVSA-N 2 2 296.415 0.872 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@@H]1Nc1cc[nH+]c(OC2CCOCC2)c1 ZINC001170787868 839148200 /nfs/dbraw/zinc/14/82/00/839148200.db2.gz GLDGYAJYEYBSFH-FZMZJTMJSA-N 2 2 293.367 0.632 20 0 CCADLP CCOCCC[NH2+]CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001135072088 839151817 /nfs/dbraw/zinc/15/18/17/839151817.db2.gz OHILREJOLMOBAE-GFCCVEGCSA-N 2 2 282.388 0.721 20 0 CCADLP CCOCCC[NH2+]CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001135072088 839151821 /nfs/dbraw/zinc/15/18/21/839151821.db2.gz OHILREJOLMOBAE-GFCCVEGCSA-N 2 2 282.388 0.721 20 0 CCADLP O=C(NCC[NH2+]Cc1cnon1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135102668 839161958 /nfs/dbraw/zinc/16/19/58/839161958.db2.gz KQUGXUABBFLLFS-CHWSQXEVSA-N 2 2 293.371 0.292 20 0 CCADLP O=C(NCC[NH2+]Cc1cnon1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135102668 839161963 /nfs/dbraw/zinc/16/19/63/839161963.db2.gz KQUGXUABBFLLFS-CHWSQXEVSA-N 2 2 293.371 0.292 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1nncs1 ZINC001135512891 839279778 /nfs/dbraw/zinc/27/97/78/839279778.db2.gz AWFVHXIIEFJSIC-UHFFFAOYSA-N 2 2 271.390 0.086 20 0 CCADLP COCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135552805 839290708 /nfs/dbraw/zinc/29/07/08/839290708.db2.gz KQFNRCGQYRTOFO-RYUDHWBXSA-N 2 2 282.388 0.862 20 0 CCADLP COCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135798496 839418006 /nfs/dbraw/zinc/41/80/06/839418006.db2.gz HSRFKRACBSSADY-NWDGAFQWSA-N 2 2 282.388 0.862 20 0 CCADLP COCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136032085 839500981 /nfs/dbraw/zinc/50/09/81/839500981.db2.gz VYYHPXZFFRIGLF-WDEREUQCSA-N 2 2 282.388 0.780 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[N@@H+](CCC2CC2)C[C@@H]1O ZINC001090600975 839664657 /nfs/dbraw/zinc/66/46/57/839664657.db2.gz NOXKKXUMRIWOHM-KBPBESRZSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[N@H+](CCC2CC2)C[C@@H]1O ZINC001090600975 839664665 /nfs/dbraw/zinc/66/46/65/839664665.db2.gz NOXKKXUMRIWOHM-KBPBESRZSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(NCCC[NH2+]CCF)c1ccc(-n2cc[nH+]c2)cn1 ZINC001170987436 839666532 /nfs/dbraw/zinc/66/65/32/839666532.db2.gz MOKQOWYGCRQJBE-UHFFFAOYSA-N 2 2 291.330 0.946 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CC(C)C)C[C@@H]1O ZINC001090763563 839785137 /nfs/dbraw/zinc/78/51/37/839785137.db2.gz JHYAWFYWTXYZLW-JSGCOSHPSA-N 2 2 294.399 0.468 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CC(C)C)C[C@@H]1O ZINC001090763563 839785144 /nfs/dbraw/zinc/78/51/44/839785144.db2.gz JHYAWFYWTXYZLW-JSGCOSHPSA-N 2 2 294.399 0.468 20 0 CCADLP C[C@H](CCCC[NH2+]CC(N)=O)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171151651 839980336 /nfs/dbraw/zinc/98/03/36/839980336.db2.gz JEMHLEBFXDZAIQ-LLVKDONJSA-N 2 2 295.387 0.092 20 0 CCADLP C[C@H](CCCC[NH2+]CC(N)=O)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171151651 839980345 /nfs/dbraw/zinc/98/03/45/839980345.db2.gz JEMHLEBFXDZAIQ-LLVKDONJSA-N 2 2 295.387 0.092 20 0 CCADLP O=C(C[N@H+]1CC[C@@H](O)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001186046115 844496115 /nfs/dbraw/zinc/49/61/15/844496115.db2.gz ZGBHIVMIVAIRFV-NWDGAFQWSA-N 2 2 278.356 0.182 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H](O)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001186046115 844496123 /nfs/dbraw/zinc/49/61/23/844496123.db2.gz ZGBHIVMIVAIRFV-NWDGAFQWSA-N 2 2 278.356 0.182 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]Cc1cscn1 ZINC001171244323 840185919 /nfs/dbraw/zinc/18/59/19/840185919.db2.gz NGCNQYRSPJUARG-UHFFFAOYSA-N 2 2 293.396 0.715 20 0 CCADLP CCc1nnc([C@H](C)[NH2+]CCNC(=O)CC[N@@H+](C)CC)o1 ZINC001146710672 840352056 /nfs/dbraw/zinc/35/20/56/840352056.db2.gz KQXFKEKCMPCQLL-NSHDSACASA-N 2 2 297.403 0.741 20 0 CCADLP CCc1nnc([C@H](C)[NH2+]CCNC(=O)CC[N@H+](C)CC)o1 ZINC001146710672 840352068 /nfs/dbraw/zinc/35/20/68/840352068.db2.gz KQXFKEKCMPCQLL-NSHDSACASA-N 2 2 297.403 0.741 20 0 CCADLP CN(C(=O)[C@@H]1C[NH2+]CC(F)(F)C1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161058320 840674497 /nfs/dbraw/zinc/67/44/97/840674497.db2.gz RKMLREFIJWPMHV-HBNTYKKESA-N 2 2 275.343 0.960 20 0 CCADLP CC[C@@H](C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)OC ZINC001186576067 844570101 /nfs/dbraw/zinc/57/01/01/844570101.db2.gz KPYKYPJJMLOWQQ-NEPJUHHUSA-N 2 2 280.372 0.568 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC001148642934 840863591 /nfs/dbraw/zinc/86/35/91/840863591.db2.gz QXKLOHQHLHVZIY-JTQLQIEISA-N 2 2 282.392 0.222 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC001148642934 840863604 /nfs/dbraw/zinc/86/36/04/840863604.db2.gz QXKLOHQHLHVZIY-JTQLQIEISA-N 2 2 282.392 0.222 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001148638616 840872398 /nfs/dbraw/zinc/87/23/98/840872398.db2.gz JUHCLKUWUKZTNZ-UHFFFAOYSA-N 2 2 268.361 0.531 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001148638616 840872407 /nfs/dbraw/zinc/87/24/07/840872407.db2.gz JUHCLKUWUKZTNZ-UHFFFAOYSA-N 2 2 268.361 0.531 20 0 CCADLP Cn1c[nH+]cc1CN1C[C@]2(CC1=O)COCC[N@H+](C)C2 ZINC001273524958 844587530 /nfs/dbraw/zinc/58/75/30/844587530.db2.gz MVDBRMYBEKZPBK-CQSZACIVSA-N 2 2 278.356 0.101 20 0 CCADLP Cn1c[nH+]cc1CN1C[C@]2(CC1=O)COCC[N@@H+](C)C2 ZINC001273524958 844587536 /nfs/dbraw/zinc/58/75/36/844587536.db2.gz MVDBRMYBEKZPBK-CQSZACIVSA-N 2 2 278.356 0.101 20 0 CCADLP COCCC[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001273445768 840927665 /nfs/dbraw/zinc/92/76/65/840927665.db2.gz NWUMQALUKQTDCL-CYBMUJFWSA-N 2 2 294.399 0.959 20 0 CCADLP COCCC[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001273445768 840927668 /nfs/dbraw/zinc/92/76/68/840927668.db2.gz NWUMQALUKQTDCL-CYBMUJFWSA-N 2 2 294.399 0.959 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001092319624 841007668 /nfs/dbraw/zinc/00/76/68/841007668.db2.gz UVCWJZFOTWIGST-GUTXKFCHSA-N 2 2 292.383 0.044 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001092319624 841007670 /nfs/dbraw/zinc/00/76/70/841007670.db2.gz UVCWJZFOTWIGST-GUTXKFCHSA-N 2 2 292.383 0.044 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]2[C@@H](CC[N@H+]2CCO)C1 ZINC001036734304 841150096 /nfs/dbraw/zinc/15/00/96/841150096.db2.gz POFFADSGKORLJJ-JSGCOSHPSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]2[C@@H](CC[N@@H+]2CCO)C1 ZINC001036734304 841150099 /nfs/dbraw/zinc/15/00/99/841150099.db2.gz POFFADSGKORLJJ-JSGCOSHPSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]2[C@@H](CC[N@H+]2CCO)C1 ZINC001036734304 841150105 /nfs/dbraw/zinc/15/01/05/841150105.db2.gz POFFADSGKORLJJ-JSGCOSHPSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]2[C@@H](CC[N@@H+]2CCO)C1 ZINC001036734304 841150111 /nfs/dbraw/zinc/15/01/11/841150111.db2.gz POFFADSGKORLJJ-JSGCOSHPSA-N 2 2 292.383 0.257 20 0 CCADLP CCn1cc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)nn1 ZINC000714895237 841231317 /nfs/dbraw/zinc/23/13/17/841231317.db2.gz NGSITKDOOUZPCJ-UHFFFAOYSA-N 2 2 280.420 0.414 20 0 CCADLP CC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036829867 841334008 /nfs/dbraw/zinc/33/40/08/841334008.db2.gz MCFFEAYEEPJDBU-AAEUAGOBSA-N 2 2 262.357 0.895 20 0 CCADLP CC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036829867 841334020 /nfs/dbraw/zinc/33/40/20/841334020.db2.gz MCFFEAYEEPJDBU-AAEUAGOBSA-N 2 2 262.357 0.895 20 0 CCADLP CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC001036829868 841334393 /nfs/dbraw/zinc/33/43/93/841334393.db2.gz MCFFEAYEEPJDBU-DGCLKSJQSA-N 2 2 262.357 0.895 20 0 CCADLP CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC001036829868 841334399 /nfs/dbraw/zinc/33/43/99/841334399.db2.gz MCFFEAYEEPJDBU-DGCLKSJQSA-N 2 2 262.357 0.895 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001099928286 841456242 /nfs/dbraw/zinc/45/62/42/841456242.db2.gz JPDXNMQYUKHCDA-STQMWFEESA-N 2 2 294.399 0.314 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001099928286 841456245 /nfs/dbraw/zinc/45/62/45/841456245.db2.gz JPDXNMQYUKHCDA-STQMWFEESA-N 2 2 294.399 0.314 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2[C@H](CC[N@H+]2CCF)C1 ZINC001036910672 841690115 /nfs/dbraw/zinc/69/01/15/841690115.db2.gz XECFFQPWHHZJRY-OLZOCXBDSA-N 2 2 280.347 0.775 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2[C@H](CC[N@@H+]2CCF)C1 ZINC001036910672 841690120 /nfs/dbraw/zinc/69/01/20/841690120.db2.gz XECFFQPWHHZJRY-OLZOCXBDSA-N 2 2 280.347 0.775 20 0 CCADLP CC(C)(C)OC(=O)N1C[C@@H]([NH2+]C2(C[NH3+])CC2)CC1=O ZINC001171699206 841748349 /nfs/dbraw/zinc/74/83/49/841748349.db2.gz QBXRYORLVFTKAP-VIFPVBQESA-N 2 2 269.345 0.603 20 0 CCADLP CO[C@@H](C)C[NH2+]C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001203337711 841781120 /nfs/dbraw/zinc/78/11/20/841781120.db2.gz QQBFSMQZYMPCSB-LBPRGKRZSA-N 2 2 294.399 0.578 20 0 CCADLP COCCC[NH+]1CCC([NH2+]C2(C(N)=O)CC2)CC1 ZINC001172244044 841907979 /nfs/dbraw/zinc/90/79/79/841907979.db2.gz XCAIZPVLCLQVCR-UHFFFAOYSA-N 2 2 255.362 0.095 20 0 CCADLP CC[NH+](CC)C1CCC([NH2+]C2(C[NH3+])COC2)CC1 ZINC001173103694 841997076 /nfs/dbraw/zinc/99/70/76/841997076.db2.gz PGYLPFSGGCZOJP-UHFFFAOYSA-N 3 2 255.406 0.957 20 0 CCADLP CCOC(=O)C[C@H]1CC[C@H](NC(=[NH2+])N2CC[NH+](C)CC2)C1 ZINC001173644872 842129628 /nfs/dbraw/zinc/12/96/28/842129628.db2.gz UQSQFNJVBASTDE-STQMWFEESA-N 2 2 296.415 0.880 20 0 CCADLP CCOC(=O)C[C@@H]1CC[C@@H](NC(=[NH2+])N2CC[NH+](C)CC2)C1 ZINC001173644868 842129944 /nfs/dbraw/zinc/12/99/44/842129944.db2.gz UQSQFNJVBASTDE-CHWSQXEVSA-N 2 2 296.415 0.880 20 0 CCADLP c1c[nH+]c(Nc2cnn(CC[NH+]3CCOCC3)c2)[nH]1 ZINC001176082169 842313018 /nfs/dbraw/zinc/31/30/18/842313018.db2.gz XLOUFEMIRKIMBR-UHFFFAOYSA-N 2 2 262.317 0.682 20 0 CCADLP CC(C)C[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001176676176 842398135 /nfs/dbraw/zinc/39/81/35/842398135.db2.gz SPXNDVQOUXDGPI-OAHLLOKOSA-N 2 2 297.443 0.849 20 0 CCADLP CC[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001176674920 842398665 /nfs/dbraw/zinc/39/86/65/842398665.db2.gz ASQRATLQDPGKJS-CYBMUJFWSA-N 2 2 269.389 0.213 20 0 CCADLP O=C(NCCC[NH2+]CCF)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001176675941 842398705 /nfs/dbraw/zinc/39/87/05/842398705.db2.gz PNVOMLHUXYOHGN-ZDUSSCGKSA-N 2 2 287.379 0.163 20 0 CCADLP C[NH+]1CC(NC(=O)C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC001177213110 842516705 /nfs/dbraw/zinc/51/67/05/842516705.db2.gz QDZVNHITQNVGES-UHFFFAOYSA-N 2 2 288.395 0.724 20 0 CCADLP CCn1ccc(C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)n1 ZINC001177405977 842578132 /nfs/dbraw/zinc/57/81/32/842578132.db2.gz UQGBOVMLXHSGQA-UHFFFAOYSA-N 2 2 290.371 0.396 20 0 CCADLP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178105593 842759183 /nfs/dbraw/zinc/75/91/83/842759183.db2.gz YGRHLKWVVIZBIP-CHWSQXEVSA-N 2 2 292.383 0.235 20 0 CCADLP CC(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001178419116 842845942 /nfs/dbraw/zinc/84/59/42/842845942.db2.gz ZLANPQLOUJXZQS-KKUMJFAQSA-N 2 2 297.443 0.942 20 0 CCADLP CC(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001178419116 842845952 /nfs/dbraw/zinc/84/59/52/842845952.db2.gz ZLANPQLOUJXZQS-KKUMJFAQSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CCCF)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001179608683 843028802 /nfs/dbraw/zinc/02/88/02/843028802.db2.gz VTIRGUYYFQXQRK-JQWIXIFHSA-N 2 2 268.336 0.891 20 0 CCADLP C[NH+](C)CCN1CC[NH+](Cc2ccc(CO)o2)CC1 ZINC000130837238 843041473 /nfs/dbraw/zinc/04/14/73/843041473.db2.gz PXEOBCZIEDPUCP-UHFFFAOYSA-N 2 2 267.373 0.451 20 0 CCADLP COCCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001180006713 843098103 /nfs/dbraw/zinc/09/81/03/843098103.db2.gz FJSPMKQDKKOWJX-STQMWFEESA-N 2 2 294.399 0.876 20 0 CCADLP C[C@@H](O)CCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001180279797 843142681 /nfs/dbraw/zinc/14/26/81/843142681.db2.gz LBEKKEKIPURONB-RDBSUJKOSA-N 2 2 294.399 0.623 20 0 CCADLP C[C@@H](C(=O)Nc1cccnc1N1CC[NH+](C)CC1)[NH+](C)C ZINC001180859311 843325341 /nfs/dbraw/zinc/32/53/41/843325341.db2.gz WXGDCDYXKKMFBM-LBPRGKRZSA-N 2 2 291.399 0.722 20 0 CCADLP Nc1cc(CC(=O)Nc2cccnc2C[NH3+])cc[nH+]1 ZINC001181279894 843441865 /nfs/dbraw/zinc/44/18/65/843441865.db2.gz OBZRLERDHCQQIL-UHFFFAOYSA-N 2 2 257.297 0.699 20 0 CCADLP CC[N@H+](C)[C@@H]1CCN(C(=O)/C=C(\C)C[NH+]2CCOCC2)C1 ZINC001181838602 843626454 /nfs/dbraw/zinc/62/64/54/843626454.db2.gz FRCBYMKTAZCCIC-ATGUSINASA-N 2 2 295.427 0.818 20 0 CCADLP CC[N@@H+](C)[C@@H]1CCN(C(=O)/C=C(\C)C[NH+]2CCOCC2)C1 ZINC001181838602 843626456 /nfs/dbraw/zinc/62/64/56/843626456.db2.gz FRCBYMKTAZCCIC-ATGUSINASA-N 2 2 295.427 0.818 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC001181981710 843659523 /nfs/dbraw/zinc/65/95/23/843659523.db2.gz JPLLSDDBWNWEJI-GFCCVEGCSA-N 2 2 264.373 0.809 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC001181981710 843659532 /nfs/dbraw/zinc/65/95/32/843659532.db2.gz JPLLSDDBWNWEJI-GFCCVEGCSA-N 2 2 264.373 0.809 20 0 CCADLP O=C(NCCOc1cc[nH+]cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC001182013432 843692601 /nfs/dbraw/zinc/69/26/01/843692601.db2.gz CXNQXRZGSPOMIW-CQSZACIVSA-N 2 2 275.352 0.918 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)C[NH+]2CCCC2)s1 ZINC001151098066 843759349 /nfs/dbraw/zinc/75/93/49/843759349.db2.gz TYUWHTTWTASNSX-JTQLQIEISA-N 2 2 297.428 0.709 20 0 CCADLP COc1cc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)ccc1OC(C)=O ZINC001206512058 843818633 /nfs/dbraw/zinc/81/86/33/843818633.db2.gz IHJSIOHWUOBISF-STQMWFEESA-N 2 2 294.351 0.372 20 0 CCADLP COc1cc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)ccc1OC(C)=O ZINC001206512058 843818646 /nfs/dbraw/zinc/81/86/46/843818646.db2.gz IHJSIOHWUOBISF-STQMWFEESA-N 2 2 294.351 0.372 20 0 CCADLP COc1ccc(F)cc1C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206519039 843845037 /nfs/dbraw/zinc/84/50/37/843845037.db2.gz HPEKCGTZRFALCB-JQWIXIFHSA-N 2 2 254.305 0.586 20 0 CCADLP COc1ccc(F)cc1C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206519039 843845047 /nfs/dbraw/zinc/84/50/47/843845047.db2.gz HPEKCGTZRFALCB-JQWIXIFHSA-N 2 2 254.305 0.586 20 0 CCADLP Cc1cc(N(C(N)=[NH2+])C(=O)[C@@H]2CCC[N@@H+]2CC2CC2)n[nH]1 ZINC001182562182 843864523 /nfs/dbraw/zinc/86/45/23/843864523.db2.gz LCMADGAIKBGUFO-NSHDSACASA-N 2 2 290.371 0.819 20 0 CCADLP Cc1cc(N(C(N)=[NH2+])C(=O)[C@@H]2CCC[N@H+]2CC2CC2)n[nH]1 ZINC001182562182 843864535 /nfs/dbraw/zinc/86/45/35/843864535.db2.gz LCMADGAIKBGUFO-NSHDSACASA-N 2 2 290.371 0.819 20 0 CCADLP CC[C@@H](C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1)OC ZINC001187420950 844722999 /nfs/dbraw/zinc/72/29/99/844722999.db2.gz UGMVDMCBPVHAIY-OLZOCXBDSA-N 2 2 294.399 0.876 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+]CCOC2CCC2)C1 ZINC001188368768 844874280 /nfs/dbraw/zinc/87/42/80/844874280.db2.gz JBQOWEIZJJFUSY-CYBMUJFWSA-N 2 2 292.383 0.643 20 0 CCADLP CC[C@@H](F)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001188369422 844874479 /nfs/dbraw/zinc/87/44/79/844874479.db2.gz ZJAJYRALFLEPCK-VXGBXAGGSA-N 2 2 268.336 0.822 20 0 CCADLP O=C(NCC[NH2+]CC1CC1)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001151813943 845217811 /nfs/dbraw/zinc/21/78/11/845217811.db2.gz BSGXVRUMOPWPBO-CQSZACIVSA-N 2 2 281.400 0.213 20 0 CCADLP CO[C@H](C)C[N@H+](C)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189873472 845242476 /nfs/dbraw/zinc/24/24/76/845242476.db2.gz FPHPIOKMZHJSHY-OLZOCXBDSA-N 2 2 294.399 0.910 20 0 CCADLP CO[C@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189873472 845242485 /nfs/dbraw/zinc/24/24/85/845242485.db2.gz FPHPIOKMZHJSHY-OLZOCXBDSA-N 2 2 294.399 0.910 20 0 CCADLP CCc1[nH]c(CN2CCN(CC[NH+](C)C)CC2)c(C)[nH+]1 ZINC001203235862 845422246 /nfs/dbraw/zinc/42/22/46/845422246.db2.gz ZWOBQQPGEPACBW-UHFFFAOYSA-N 2 2 279.432 0.960 20 0 CCADLP COCC[N@H+](C)[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001191479859 845657406 /nfs/dbraw/zinc/65/74/06/845657406.db2.gz SCCVBTOZSOVOMD-ZDUSSCGKSA-N 2 2 294.399 0.532 20 0 CCADLP COCC[N@@H+](C)[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001191479859 845657407 /nfs/dbraw/zinc/65/74/07/845657407.db2.gz SCCVBTOZSOVOMD-ZDUSSCGKSA-N 2 2 294.399 0.532 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[NH2+]Cc1ncccn1 ZINC001152138113 846382452 /nfs/dbraw/zinc/38/24/52/846382452.db2.gz RTMJGPXFRZFOJK-CHWSQXEVSA-N 2 2 291.399 0.555 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2cccc(F)n2)C1 ZINC001205683549 846461561 /nfs/dbraw/zinc/46/15/61/846461561.db2.gz ZRNMXJMOWWQCEL-ZDUSSCGKSA-N 2 2 253.321 0.896 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2cccc(F)n2)C1 ZINC001205683549 846461572 /nfs/dbraw/zinc/46/15/72/846461572.db2.gz ZRNMXJMOWWQCEL-ZDUSSCGKSA-N 2 2 253.321 0.896 20 0 CCADLP COC(=O)CCC[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205735593 846648984 /nfs/dbraw/zinc/64/89/84/846648984.db2.gz OOCJULCCYOFFJM-SECBINFHSA-N 2 2 250.289 0.856 20 0 CCADLP COC(=O)CCC[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205735593 846648994 /nfs/dbraw/zinc/64/89/94/846648994.db2.gz OOCJULCCYOFFJM-SECBINFHSA-N 2 2 250.289 0.856 20 0 CCADLP Cc1ccc(C)c(NC[C@H](O)C[NH+]2CCOCC2)[nH+]1 ZINC001251006387 846781897 /nfs/dbraw/zinc/78/18/97/846781897.db2.gz FYGLCIYEFOMIGR-ZDUSSCGKSA-N 2 2 265.357 0.803 20 0 CCADLP CC[NH+](CC)CC(=O)N1CCC[N@@H+](CCF)CC1 ZINC001197510534 846926785 /nfs/dbraw/zinc/92/67/85/846926785.db2.gz DHEGIDGRNPOAJG-UHFFFAOYSA-N 2 2 259.369 0.832 20 0 CCADLP OCC[C@H]1C[N@H+](CCCn2cc[nH+]c2)C[C@H]1CO ZINC001198752009 847161773 /nfs/dbraw/zinc/16/17/73/847161773.db2.gz HTBVRJNLCJPHET-STQMWFEESA-N 2 2 253.346 0.196 20 0 CCADLP OCC[C@H]1C[N@@H+](CCCn2cc[nH+]c2)C[C@H]1CO ZINC001198752009 847161774 /nfs/dbraw/zinc/16/17/74/847161774.db2.gz HTBVRJNLCJPHET-STQMWFEESA-N 2 2 253.346 0.196 20 0 CCADLP CCN(CC[NH2+]Cc1cncs1)C(=O)Cn1cc[nH+]c1 ZINC001273778857 847208168 /nfs/dbraw/zinc/20/81/68/847208168.db2.gz QYOZMGXWYTXIIY-UHFFFAOYSA-N 2 2 293.396 0.978 20 0 CCADLP CC[C@H](C)C[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001201511662 847786612 /nfs/dbraw/zinc/78/66/12/847786612.db2.gz SWVKFUSWFGMPBH-HNNXBMFYSA-N 2 2 269.433 0.982 20 0 CCADLP CCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCCO1 ZINC001201726903 847806891 /nfs/dbraw/zinc/80/68/91/847806891.db2.gz ORGKYNONLXGEBZ-GFCCVEGCSA-N 2 2 280.372 0.569 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]Cc1ccsc1 ZINC001153495651 848010623 /nfs/dbraw/zinc/01/06/23/848010623.db2.gz MJAXDTTYZKFMEA-UHFFFAOYSA-N 2 2 264.354 0.851 20 0 CCADLP CC(C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]c[nH+]1 ZINC001114388778 848033203 /nfs/dbraw/zinc/03/32/03/848033203.db2.gz GMEOPUAGKDDVOY-IMRBUKKESA-N 2 2 262.357 0.797 20 0 CCADLP CC(C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]c[nH+]1 ZINC001114388778 848033208 /nfs/dbraw/zinc/03/32/08/848033208.db2.gz GMEOPUAGKDDVOY-IMRBUKKESA-N 2 2 262.357 0.797 20 0 CCADLP CC(C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]c[nH]1 ZINC001114388778 848033216 /nfs/dbraw/zinc/03/32/16/848033216.db2.gz GMEOPUAGKDDVOY-IMRBUKKESA-N 2 2 262.357 0.797 20 0 CCADLP CC(C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]c[nH]1 ZINC001114388778 848033220 /nfs/dbraw/zinc/03/32/20/848033220.db2.gz GMEOPUAGKDDVOY-IMRBUKKESA-N 2 2 262.357 0.797 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@H+](CCC(=O)OC)C1CC1 ZINC001253196327 848154972 /nfs/dbraw/zinc/15/49/72/848154972.db2.gz VACJTKNSDIQKOL-CYBMUJFWSA-N 2 2 272.389 0.717 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+](CCC(=O)OC)C1CC1 ZINC001253196327 848154977 /nfs/dbraw/zinc/15/49/77/848154977.db2.gz VACJTKNSDIQKOL-CYBMUJFWSA-N 2 2 272.389 0.717 20 0 CCADLP COC[C@@H](C)OC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000717441079 848262519 /nfs/dbraw/zinc/26/25/19/848262519.db2.gz OSMXBXFQCYUKOA-APIJFGDWSA-N 2 2 286.416 0.567 20 0 CCADLP COC[C@@H](C)OC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000717441079 848262525 /nfs/dbraw/zinc/26/25/25/848262525.db2.gz OSMXBXFQCYUKOA-APIJFGDWSA-N 2 2 286.416 0.567 20 0 CCADLP COC[C@@H](C)OC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000717441079 848262536 /nfs/dbraw/zinc/26/25/36/848262536.db2.gz OSMXBXFQCYUKOA-APIJFGDWSA-N 2 2 286.416 0.567 20 0 CCADLP COC[C@@H](C)OC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000717441079 848262540 /nfs/dbraw/zinc/26/25/40/848262540.db2.gz OSMXBXFQCYUKOA-APIJFGDWSA-N 2 2 286.416 0.567 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001274053745 848328999 /nfs/dbraw/zinc/32/89/99/848328999.db2.gz VKFHKEGRADGEOM-DZGCQCFKSA-N 2 2 292.383 0.188 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001274053745 848329003 /nfs/dbraw/zinc/32/90/03/848329003.db2.gz VKFHKEGRADGEOM-DZGCQCFKSA-N 2 2 292.383 0.188 20 0 CCADLP C[N@@H+]1CC[C@H](CC(=O)NC/C=C/C[NH2+]Cc2cnon2)C1 ZINC001274507017 848492096 /nfs/dbraw/zinc/49/20/96/848492096.db2.gz CAFWMSQZWJNSEI-QAVQXKDTSA-N 2 2 293.371 0.173 20 0 CCADLP C[N@H+]1CC[C@H](CC(=O)NC/C=C/C[NH2+]Cc2cnon2)C1 ZINC001274507017 848492100 /nfs/dbraw/zinc/49/21/00/848492100.db2.gz CAFWMSQZWJNSEI-QAVQXKDTSA-N 2 2 293.371 0.173 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC/C=C/C[NH2+]CCCF ZINC001274534021 848496740 /nfs/dbraw/zinc/49/67/40/848496740.db2.gz HTBKVXZAWPJUIV-NSCUHMNNSA-N 2 2 268.336 0.882 20 0 CCADLP C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1cncn1-c1cc[nH+]cc1 ZINC001274612279 848524202 /nfs/dbraw/zinc/52/42/02/848524202.db2.gz AEICYGSJKJJKSN-BETUJISGSA-N 2 2 283.335 0.796 20 0 CCADLP C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1cncn1-c1cc[nH+]cc1 ZINC001274612279 848524213 /nfs/dbraw/zinc/52/42/13/848524213.db2.gz AEICYGSJKJJKSN-BETUJISGSA-N 2 2 283.335 0.796 20 0 CCADLP COCC[NH2+]C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001274753669 848559685 /nfs/dbraw/zinc/55/96/85/848559685.db2.gz XQRJACBVUBXZCE-LLVKDONJSA-N 2 2 290.367 0.997 20 0 CCADLP COCC[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001274980023 848604965 /nfs/dbraw/zinc/60/49/65/848604965.db2.gz ADARSNGZWVVATD-OAHLLOKOSA-N 2 2 283.416 0.509 20 0 CCADLP COCC[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001274980023 848604970 /nfs/dbraw/zinc/60/49/70/848604970.db2.gz ADARSNGZWVVATD-OAHLLOKOSA-N 2 2 283.416 0.509 20 0 CCADLP COCC[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001274980023 848604972 /nfs/dbraw/zinc/60/49/72/848604972.db2.gz ADARSNGZWVVATD-OAHLLOKOSA-N 2 2 283.416 0.509 20 0 CCADLP COCC[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001274980023 848604976 /nfs/dbraw/zinc/60/49/76/848604976.db2.gz ADARSNGZWVVATD-OAHLLOKOSA-N 2 2 283.416 0.509 20 0 CCADLP C[N@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001275043379 848620603 /nfs/dbraw/zinc/62/06/03/848620603.db2.gz COWSTYFXRVANQO-MCIONIFRSA-N 2 2 279.384 0.012 20 0 CCADLP C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001275043379 848620610 /nfs/dbraw/zinc/62/06/10/848620610.db2.gz COWSTYFXRVANQO-MCIONIFRSA-N 2 2 279.384 0.012 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@H]1C[NH2+]CCO ZINC001275808659 848831464 /nfs/dbraw/zinc/83/14/64/848831464.db2.gz XCBHYMZLQCNTEO-NWDGAFQWSA-N 2 2 280.372 0.209 20 0 CCADLP Cn1cncc1C[NH+]1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001276147956 848939793 /nfs/dbraw/zinc/93/97/93/848939793.db2.gz BXTXZBRNHNTJCE-UHFFFAOYSA-N 2 2 263.389 0.099 20 0 CCADLP c1coc(CN2[C@@H]3C[C@H]2C[N@@H+](CCn2cc[nH+]c2)C3)n1 ZINC001276189421 848954684 /nfs/dbraw/zinc/95/46/84/848954684.db2.gz GYMGNRCIAAUNDE-BETUJISGSA-N 2 2 273.340 0.830 20 0 CCADLP c1coc(CN2[C@@H]3C[C@H]2C[N@H+](CCn2cc[nH+]c2)C3)n1 ZINC001276189421 848954689 /nfs/dbraw/zinc/95/46/89/848954689.db2.gz GYMGNRCIAAUNDE-BETUJISGSA-N 2 2 273.340 0.830 20 0 CCADLP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3cnoc3)C[C@@H]21 ZINC001276254026 848975697 /nfs/dbraw/zinc/97/56/97/848975697.db2.gz VDWNKDJXYLJTQH-KBPBESRZSA-N 2 2 280.372 0.121 20 0 CCADLP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3cnoc3)C[C@@H]21 ZINC001276254026 848975706 /nfs/dbraw/zinc/97/57/06/848975706.db2.gz VDWNKDJXYLJTQH-KBPBESRZSA-N 2 2 280.372 0.121 20 0 CCADLP COC[C@H](C)[NH2+]CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001276297813 848988049 /nfs/dbraw/zinc/98/80/49/848988049.db2.gz MYXWRNAFKLZGIM-NSHDSACASA-N 2 2 268.361 0.425 20 0 CCADLP [NH3+]CCCOC1CC[NH+](Cc2cnns2)CC1 ZINC000380210241 849166164 /nfs/dbraw/zinc/16/61/64/849166164.db2.gz TYUQTDGUDNQIKE-UHFFFAOYSA-N 2 2 256.375 0.868 20 0 CCADLP [NH3+]C[C@H]1CN(CCC[NH+]2CCOCC2)C[C@H]1C(F)(F)F ZINC000720795875 849539885 /nfs/dbraw/zinc/53/98/85/849539885.db2.gz QTNKBQJBZOAAAN-NWDGAFQWSA-N 2 2 295.349 0.778 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720822559 849542705 /nfs/dbraw/zinc/54/27/05/849542705.db2.gz MHAUXGYSYDPVDE-MBNYWOFBSA-N 2 2 269.389 0.069 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720822559 849542710 /nfs/dbraw/zinc/54/27/10/849542710.db2.gz MHAUXGYSYDPVDE-MBNYWOFBSA-N 2 2 269.389 0.069 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1C(F)(F)F ZINC000720827342 849545533 /nfs/dbraw/zinc/54/55/33/849545533.db2.gz JTCVNXKWTQGACR-BDAKNGLRSA-N 2 2 293.289 0.204 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1C(F)(F)F ZINC000720827342 849545538 /nfs/dbraw/zinc/54/55/38/849545538.db2.gz JTCVNXKWTQGACR-BDAKNGLRSA-N 2 2 293.289 0.204 20 0 CCADLP C[C@@H](O)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC001114885356 849570053 /nfs/dbraw/zinc/57/00/53/849570053.db2.gz NXDISNNVCCFCPV-PBOSXPJTSA-N 2 2 292.383 0.160 20 0 CCADLP C[C@@H](O)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC001114885356 849570062 /nfs/dbraw/zinc/57/00/62/849570062.db2.gz NXDISNNVCCFCPV-PBOSXPJTSA-N 2 2 292.383 0.160 20 0 CCADLP C[C@@H](NC(=O)CCn1cc[nH+]c1)C1CC[NH2+]CC1 ZINC000381186227 849741866 /nfs/dbraw/zinc/74/18/66/849741866.db2.gz UWLCWHVZGVDZGT-LLVKDONJSA-N 2 2 250.346 0.778 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+]2CCCF)O1 ZINC001038401467 849878415 /nfs/dbraw/zinc/87/84/15/849878415.db2.gz VCFRAMMZIFMWPF-FRRDWIJNSA-N 2 2 287.379 0.256 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+]2CCCF)O1 ZINC001038401467 849878425 /nfs/dbraw/zinc/87/84/25/849878425.db2.gz VCFRAMMZIFMWPF-FRRDWIJNSA-N 2 2 287.379 0.256 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCCF)O1 ZINC001038401467 849878429 /nfs/dbraw/zinc/87/84/29/849878429.db2.gz VCFRAMMZIFMWPF-FRRDWIJNSA-N 2 2 287.379 0.256 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCCF)O1 ZINC001038401467 849878436 /nfs/dbraw/zinc/87/84/36/849878436.db2.gz VCFRAMMZIFMWPF-FRRDWIJNSA-N 2 2 287.379 0.256 20 0 CCADLP COCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001038411576 849884365 /nfs/dbraw/zinc/88/43/65/849884365.db2.gz JVLHFBGYOHWJSU-QWHCGFSZSA-N 2 2 292.383 0.282 20 0 CCADLP COCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001038411576 849884369 /nfs/dbraw/zinc/88/43/69/849884369.db2.gz JVLHFBGYOHWJSU-QWHCGFSZSA-N 2 2 292.383 0.282 20 0 CCADLP O=C(NC[C@@H]1CC[N@H+]1CCCF)[C@H]1CCc2c[nH+]cn2C1 ZINC001038424193 849889092 /nfs/dbraw/zinc/88/90/92/849889092.db2.gz LLRFMPJHOKCYMV-JSGCOSHPSA-N 2 2 294.374 0.996 20 0 CCADLP O=C(NC[C@@H]1CC[N@@H+]1CCCF)[C@H]1CCc2c[nH+]cn2C1 ZINC001038424193 849889097 /nfs/dbraw/zinc/88/90/97/849889097.db2.gz LLRFMPJHOKCYMV-JSGCOSHPSA-N 2 2 294.374 0.996 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001038643262 849967460 /nfs/dbraw/zinc/96/74/60/849967460.db2.gz GDFMWNSHBGYCFI-DGCLKSJQSA-N 2 2 295.383 0.526 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001038643262 849967467 /nfs/dbraw/zinc/96/74/67/849967467.db2.gz GDFMWNSHBGYCFI-DGCLKSJQSA-N 2 2 295.383 0.526 20 0 CCADLP COCC[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001038935355 850090147 /nfs/dbraw/zinc/09/01/47/850090147.db2.gz NDBZPEWBZOFRDL-GFCCVEGCSA-N 2 2 292.383 0.598 20 0 CCADLP COCC[N@H+]1CC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001038935355 850090152 /nfs/dbraw/zinc/09/01/52/850090152.db2.gz NDBZPEWBZOFRDL-GFCCVEGCSA-N 2 2 292.383 0.598 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+]2CCCF)C1 ZINC001039046234 850136771 /nfs/dbraw/zinc/13/67/71/850136771.db2.gz LGEFBVFZZDUWBD-STQMWFEESA-N 2 2 287.379 0.257 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+]2CCCF)C1 ZINC001039046234 850136776 /nfs/dbraw/zinc/13/67/76/850136776.db2.gz LGEFBVFZZDUWBD-STQMWFEESA-N 2 2 287.379 0.257 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@@H+]2CCCF)C1 ZINC001039046234 850136785 /nfs/dbraw/zinc/13/67/85/850136785.db2.gz LGEFBVFZZDUWBD-STQMWFEESA-N 2 2 287.379 0.257 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CC[N@H+]2CCCF)C1 ZINC001039046234 850136792 /nfs/dbraw/zinc/13/67/92/850136792.db2.gz LGEFBVFZZDUWBD-STQMWFEESA-N 2 2 287.379 0.257 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]2CC[N@@H+](CCCO)[C@H]2C1 ZINC001042250336 850603197 /nfs/dbraw/zinc/60/31/97/850603197.db2.gz SUPFGKRGTICLQI-JSGCOSHPSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]2CC[N@H+](CCCO)[C@H]2C1 ZINC001042250336 850603204 /nfs/dbraw/zinc/60/32/04/850603204.db2.gz SUPFGKRGTICLQI-JSGCOSHPSA-N 2 2 292.383 0.257 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001043098607 850812264 /nfs/dbraw/zinc/81/22/64/850812264.db2.gz CBEDGINTMZSSAR-GXTWGEPZSA-N 2 2 283.416 0.648 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001043098607 850812273 /nfs/dbraw/zinc/81/22/73/850812273.db2.gz CBEDGINTMZSSAR-GXTWGEPZSA-N 2 2 283.416 0.648 20 0 CCADLP COC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001043099853 850814567 /nfs/dbraw/zinc/81/45/67/850814567.db2.gz QNYSMLWOMASHJE-OCCSQVGLSA-N 2 2 283.416 0.648 20 0 CCADLP COC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001043099853 850814575 /nfs/dbraw/zinc/81/45/75/850814575.db2.gz QNYSMLWOMASHJE-OCCSQVGLSA-N 2 2 283.416 0.648 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](C[C@@H](C)O)C1 ZINC001043198561 850827128 /nfs/dbraw/zinc/82/71/28/850827128.db2.gz UIPHPDIQQZMZES-HIFRSBDPSA-N 2 2 297.443 0.630 20 0 CCADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](C[C@@H](C)O)C1 ZINC001043198561 850827132 /nfs/dbraw/zinc/82/71/32/850827132.db2.gz UIPHPDIQQZMZES-HIFRSBDPSA-N 2 2 297.443 0.630 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001043462751 850875992 /nfs/dbraw/zinc/87/59/92/850875992.db2.gz DFTVBTCAZBLFDW-HNNXBMFYSA-N 2 2 295.427 0.650 20 0 CCADLP CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C1C[NH+](CCCO)C1 ZINC001043463809 850876601 /nfs/dbraw/zinc/87/66/01/850876601.db2.gz KJBFROXVORDFFD-OAHLLOKOSA-N 2 2 295.427 0.386 20 0 CCADLP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C2C[NH+](CCO)C2)C1 ZINC001043602313 850907429 /nfs/dbraw/zinc/90/74/29/850907429.db2.gz GRUMBJJNTBDDCB-ZDUSSCGKSA-N 2 2 283.416 0.243 20 0 CCADLP CCC[N@H+]1CCC[C@H](C(=O)N(C)C2C[NH+](CCO)C2)C1 ZINC001043602313 850907438 /nfs/dbraw/zinc/90/74/38/850907438.db2.gz GRUMBJJNTBDDCB-ZDUSSCGKSA-N 2 2 283.416 0.243 20 0 CCADLP CN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C1C[NH+](CCO)C1 ZINC001044189097 851037587 /nfs/dbraw/zinc/03/75/87/851037587.db2.gz UFWNWGPLRUKUQU-OLZOCXBDSA-N 2 2 283.416 0.242 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1C[NH+](C[C@@H]2CCOC2)C1 ZINC001044234172 851048321 /nfs/dbraw/zinc/04/83/21/851048321.db2.gz WIAKFFUDHSEAKO-LBPRGKRZSA-N 2 2 292.383 0.440 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001044294564 851068637 /nfs/dbraw/zinc/06/86/37/851068637.db2.gz DWRYTWSDPZXDGV-LBPRGKRZSA-N 2 2 269.389 0.260 20 0 CCADLP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CN(Cc2c[nH+]cn2C)C1 ZINC001044297174 851068909 /nfs/dbraw/zinc/06/89/09/851068909.db2.gz CHTUOSVMSJCBPZ-GFCCVEGCSA-N 2 2 291.399 0.014 20 0 CCADLP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(Cc2c[nH+]cn2C)C1 ZINC001044297174 851068918 /nfs/dbraw/zinc/06/89/18/851068918.db2.gz CHTUOSVMSJCBPZ-GFCCVEGCSA-N 2 2 291.399 0.014 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2C[NH+](CC3CC3)C2)C1 ZINC001044317844 851075154 /nfs/dbraw/zinc/07/51/54/851075154.db2.gz WAVCEFATMLDOAP-CQSZACIVSA-N 2 2 281.400 0.260 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)C2C[NH+](CC3CC3)C2)C1 ZINC001044317844 851075157 /nfs/dbraw/zinc/07/51/57/851075157.db2.gz WAVCEFATMLDOAP-CQSZACIVSA-N 2 2 281.400 0.260 20 0 CCADLP CC(C)C[NH+]1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001044367697 851086816 /nfs/dbraw/zinc/08/68/16/851086816.db2.gz GIEZURKLQXLSDF-UHFFFAOYSA-N 2 2 250.346 0.682 20 0 CCADLP CN(C(=O)Cn1cc[nH+]c1)C1C[NH+](C[C@H]2CCCOC2)C1 ZINC001044364966 851087420 /nfs/dbraw/zinc/08/74/20/851087420.db2.gz GNULKZFLYIAAMA-CYBMUJFWSA-N 2 2 292.383 0.452 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001044807011 851162831 /nfs/dbraw/zinc/16/28/31/851162831.db2.gz LQJBBDPLKHNXNA-GHMZBOCLSA-N 2 2 250.346 0.941 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365655458 851234014 /nfs/dbraw/zinc/23/40/14/851234014.db2.gz GERXCDOJAHUVLX-MNOVXSKESA-N 2 2 293.371 0.444 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365655458 851234020 /nfs/dbraw/zinc/23/40/20/851234020.db2.gz GERXCDOJAHUVLX-MNOVXSKESA-N 2 2 293.371 0.444 20 0 CCADLP CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[NH+](CCO)CC1 ZINC001045467673 851263359 /nfs/dbraw/zinc/26/33/59/851263359.db2.gz SCBKAPMONOJJER-VXGBXAGGSA-N 2 2 292.383 0.476 20 0 CCADLP CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[NH+](CCO)CC1 ZINC001045467673 851263364 /nfs/dbraw/zinc/26/33/64/851263364.db2.gz SCBKAPMONOJJER-VXGBXAGGSA-N 2 2 292.383 0.476 20 0 CCADLP CC(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046220380 851426257 /nfs/dbraw/zinc/42/62/57/851426257.db2.gz SUBHWRKZAKZORL-ZBFHGGJFSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046220380 851426262 /nfs/dbraw/zinc/42/62/62/851426262.db2.gz SUBHWRKZAKZORL-ZBFHGGJFSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)CC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001046220380 851426278 /nfs/dbraw/zinc/42/62/78/851426278.db2.gz SUBHWRKZAKZORL-ZBFHGGJFSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)CC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001046220380 851426290 /nfs/dbraw/zinc/42/62/90/851426290.db2.gz SUBHWRKZAKZORL-ZBFHGGJFSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]2(C)CC[N@@H+](CCF)C2)O1 ZINC001046417268 851493423 /nfs/dbraw/zinc/49/34/23/851493423.db2.gz JOTUDJIZOHMPLH-YRGRVCCFSA-N 2 2 287.379 0.256 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@]2(C)CC[NH+](CCF)C2)O1 ZINC001046417268 851493399 /nfs/dbraw/zinc/49/33/99/851493399.db2.gz JOTUDJIZOHMPLH-YRGRVCCFSA-N 2 2 287.379 0.256 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@]2(C)CC[NH+](CCF)C2)O1 ZINC001046417268 851493407 /nfs/dbraw/zinc/49/34/07/851493407.db2.gz JOTUDJIZOHMPLH-YRGRVCCFSA-N 2 2 287.379 0.256 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@]2(C)CC[N@H+](CCF)C2)O1 ZINC001046417268 851493413 /nfs/dbraw/zinc/49/34/13/851493413.db2.gz JOTUDJIZOHMPLH-YRGRVCCFSA-N 2 2 287.379 0.256 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCO ZINC001049447182 852276972 /nfs/dbraw/zinc/27/69/72/852276972.db2.gz MLKOLPOQQZHYNJ-OLZOCXBDSA-N 2 2 292.383 0.400 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCO ZINC001049447182 852276986 /nfs/dbraw/zinc/27/69/86/852276986.db2.gz MLKOLPOQQZHYNJ-OLZOCXBDSA-N 2 2 292.383 0.400 20 0 CCADLP COCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049926576 852397219 /nfs/dbraw/zinc/39/72/19/852397219.db2.gz CNLPGTJIPVOXNS-KBPBESRZSA-N 2 2 292.383 0.595 20 0 CCADLP COCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049926576 852397227 /nfs/dbraw/zinc/39/72/27/852397227.db2.gz CNLPGTJIPVOXNS-KBPBESRZSA-N 2 2 292.383 0.595 20 0 CCADLP Cc1nc(N[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001097864360 852634698 /nfs/dbraw/zinc/63/46/98/852634698.db2.gz CYYZKTWVTDZRGW-CMPLNLGQSA-N 2 2 277.372 0.653 20 0 CCADLP Cc1nc(N[C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001097864360 852634700 /nfs/dbraw/zinc/63/47/00/852634700.db2.gz CYYZKTWVTDZRGW-CMPLNLGQSA-N 2 2 277.372 0.653 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)C[N@@H+]1CCC[C@@H]1C)CCO2 ZINC001053429849 852743592 /nfs/dbraw/zinc/74/35/92/852743592.db2.gz ZGNOCPLSLOFJMU-ZDUSSCGKSA-N 2 2 281.400 0.404 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)C[N@H+]1CCC[C@@H]1C)CCO2 ZINC001053429849 852743594 /nfs/dbraw/zinc/74/35/94/852743594.db2.gz ZGNOCPLSLOFJMU-ZDUSSCGKSA-N 2 2 281.400 0.404 20 0 CCADLP OCC1(CO)CC([NH2+][C@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254839598 852906225 /nfs/dbraw/zinc/90/62/25/852906225.db2.gz UEKHKIQZYOLFBO-LBPRGKRZSA-N 2 2 254.374 0.194 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1COCC[NH+]1CCC1CC1 ZINC001050848881 853461827 /nfs/dbraw/zinc/46/18/27/853461827.db2.gz PZYOLBGTRYIJBL-HUUCEWRRSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1COCC[NH+]1CCC1CC1 ZINC001050848881 853461829 /nfs/dbraw/zinc/46/18/29/853461829.db2.gz PZYOLBGTRYIJBL-HUUCEWRRSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1COCC[N@@H+]1CCC1CC1 ZINC001050848881 853461832 /nfs/dbraw/zinc/46/18/32/853461832.db2.gz PZYOLBGTRYIJBL-HUUCEWRRSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1COCC[N@H+]1CCC1CC1 ZINC001050848881 853461834 /nfs/dbraw/zinc/46/18/34/853461834.db2.gz PZYOLBGTRYIJBL-HUUCEWRRSA-N 2 2 295.427 0.698 20 0 CCADLP CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CCO1 ZINC001051690592 853624026 /nfs/dbraw/zinc/62/40/26/853624026.db2.gz MNOQYJJRVQUPPR-OCCSQVGLSA-N 2 2 292.383 0.282 20 0 CCADLP CC(C)[NH2+]C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CCO1 ZINC001051903872 853657875 /nfs/dbraw/zinc/65/78/75/853657875.db2.gz WGCYNHVMPARTQY-LBPRGKRZSA-N 2 2 294.399 0.913 20 0 CCADLP CC[NH2+]CC1CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)CC1 ZINC000383941157 853865232 /nfs/dbraw/zinc/86/52/32/853865232.db2.gz XZGUSQQEQXMHCR-HNNXBMFYSA-N 3 2 287.448 0.247 20 0 CCADLP CC[NH2+]CC1CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)CC1 ZINC000383941157 853865236 /nfs/dbraw/zinc/86/52/36/853865236.db2.gz XZGUSQQEQXMHCR-HNNXBMFYSA-N 3 2 287.448 0.247 20 0 CCADLP CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cc[nH+]c1)C[C@H](C)O2 ZINC001071248784 854141527 /nfs/dbraw/zinc/14/15/27/854141527.db2.gz SSUNPZVTYLTIJQ-DZGCQCFKSA-N 2 2 292.383 0.595 20 0 CCADLP CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cc[nH+]c1)C[C@H](C)O2 ZINC001071248784 854141532 /nfs/dbraw/zinc/14/15/32/854141532.db2.gz SSUNPZVTYLTIJQ-DZGCQCFKSA-N 2 2 292.383 0.595 20 0 CCADLP COCC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001072120501 854349774 /nfs/dbraw/zinc/34/97/74/854349774.db2.gz VGIKHKVXDLXNFQ-QWHCGFSZSA-N 2 2 280.372 0.499 20 0 CCADLP COCC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001072120501 854349780 /nfs/dbraw/zinc/34/97/80/854349780.db2.gz VGIKHKVXDLXNFQ-QWHCGFSZSA-N 2 2 280.372 0.499 20 0 CCADLP O=C(CC[NH+]1CCOCC1)N1CC2(C1)CC[N@@H+](CCF)C2 ZINC001073059390 854524142 /nfs/dbraw/zinc/52/41/42/854524142.db2.gz DMRPBAPHJMAUMY-UHFFFAOYSA-N 2 2 299.390 0.213 20 0 CCADLP O=C(CC[NH+]1CCOCC1)N1CC2(C1)CC[N@H+](CCF)C2 ZINC001073059390 854524149 /nfs/dbraw/zinc/52/41/49/854524149.db2.gz DMRPBAPHJMAUMY-UHFFFAOYSA-N 2 2 299.390 0.213 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001073483969 854565184 /nfs/dbraw/zinc/56/51/84/854565184.db2.gz ZMIJVKPWUXRQBW-ZDUSSCGKSA-N 2 2 292.383 0.452 20 0 CCADLP CO[C@@H](C)C[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001073483969 854565188 /nfs/dbraw/zinc/56/51/88/854565188.db2.gz ZMIJVKPWUXRQBW-ZDUSSCGKSA-N 2 2 292.383 0.452 20 0 CCADLP CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001074407689 854726003 /nfs/dbraw/zinc/72/60/03/854726003.db2.gz JEJCFFNKTOAUOV-GJZGRUSLSA-N 2 2 295.427 0.794 20 0 CCADLP CCC[N@H+]1CCO[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001074407689 854726008 /nfs/dbraw/zinc/72/60/08/854726008.db2.gz JEJCFFNKTOAUOV-GJZGRUSLSA-N 2 2 295.427 0.794 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CCF)CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001074718515 854770400 /nfs/dbraw/zinc/77/04/00/854770400.db2.gz WTHRJLONUNBQGD-AVGNSLFASA-N 2 2 294.374 0.994 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CC[N@@H+](CCCF)C[C@@H]1O ZINC001099804040 854999600 /nfs/dbraw/zinc/99/96/00/854999600.db2.gz HAMMCCWYWCXHOY-NEPJUHHUSA-N 2 2 298.362 0.253 20 0 CCADLP Cc1nc(N(C)CCNC(=O)[C@@H](C2CC2)[NH+](C)C)cc[nH+]1 ZINC001100189568 855114705 /nfs/dbraw/zinc/11/47/05/855114705.db2.gz PIQRNZHKAKGTMU-CQSZACIVSA-N 2 2 291.399 0.678 20 0 CCADLP C[C@@H](O)CCC[NH2+]C1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001100789589 855226284 /nfs/dbraw/zinc/22/62/84/855226284.db2.gz FDDLMYSBMADJKU-PNESKVBLSA-N 2 2 294.399 0.598 20 0 CCADLP CCOCCC[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001101069870 855259703 /nfs/dbraw/zinc/25/97/03/855259703.db2.gz YLNQGFCWYIRFMS-UHFFFAOYSA-N 2 2 294.399 0.794 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1CC([NH2+]C[C@@H]2CCOC2)C1 ZINC001101069124 855259795 /nfs/dbraw/zinc/25/97/95/855259795.db2.gz IJKABLSDXPXXSF-HSBZDZAISA-N 2 2 292.383 0.404 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@H+](CCO)C[C@H]1C ZINC001102456371 855435766 /nfs/dbraw/zinc/43/57/66/855435766.db2.gz XJTSYOHLUSISAN-JHJVBQTASA-N 2 2 294.399 0.265 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001102456371 855435770 /nfs/dbraw/zinc/43/57/70/855435770.db2.gz XJTSYOHLUSISAN-JHJVBQTASA-N 2 2 294.399 0.265 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[N@H+](CCO)C[C@H]1C ZINC001102456371 855435775 /nfs/dbraw/zinc/43/57/75/855435775.db2.gz XJTSYOHLUSISAN-JHJVBQTASA-N 2 2 294.399 0.265 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001102456371 855435779 /nfs/dbraw/zinc/43/57/79/855435779.db2.gz XJTSYOHLUSISAN-JHJVBQTASA-N 2 2 294.399 0.265 20 0 CCADLP C[C@H](CS(C)(=O)=O)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC001117634061 856031100 /nfs/dbraw/zinc/03/11/00/856031100.db2.gz YAKGDXQFVHQJLB-BDAKNGLRSA-N 2 2 257.359 0.290 20 0 CCADLP [NH3+]CCOCC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001118195693 856196124 /nfs/dbraw/zinc/19/61/24/856196124.db2.gz RDXJBMQNKPGIBR-UHFFFAOYSA-N 2 2 252.318 0.022 20 0 CCADLP C[NH+]1CCC(ONC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001118332304 856264969 /nfs/dbraw/zinc/26/49/69/856264969.db2.gz CXAVLIHYWRKKHK-UHFFFAOYSA-N 2 2 252.318 0.484 20 0 CCADLP Cc1cc(C)c(CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])c[nH+]1 ZINC001118864572 856469167 /nfs/dbraw/zinc/46/91/67/856469167.db2.gz DHSFLIXHLAKLJV-JTQLQIEISA-N 2 2 278.356 0.120 20 0 CCADLP C/C(=C/C(=O)NCCC[NH+]1CCCC1)C[NH+]1CCOCC1 ZINC001119594142 856764952 /nfs/dbraw/zinc/76/49/52/856764952.db2.gz LWMGXOPHGJHQAM-SQFISAMPSA-N 2 2 295.427 0.867 20 0 CCADLP Cc1[nH]c(CN2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c(C)[nH+]1 ZINC001119825836 856888776 /nfs/dbraw/zinc/88/87/76/856888776.db2.gz VPDGGIWMUWKNOK-MNOVXSKESA-N 2 2 266.389 0.913 20 0 CCADLP Cc1[nH]c(CN2CC[N@H+](C[C@H](C)O)C[C@H]2C)c(C)[nH+]1 ZINC001119825836 856888780 /nfs/dbraw/zinc/88/87/80/856888780.db2.gz VPDGGIWMUWKNOK-MNOVXSKESA-N 2 2 266.389 0.913 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001392869104 912214438 /nfs/dbraw/zinc/21/44/38/912214438.db2.gz MIPNIQVSDYUJEF-VXGBXAGGSA-N 2 2 280.372 0.188 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001392869104 912214455 /nfs/dbraw/zinc/21/44/55/912214455.db2.gz MIPNIQVSDYUJEF-VXGBXAGGSA-N 2 2 280.372 0.188 20 0 CCADLP C[C@H](O)CCC[NH+]1CC(N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001392999393 912315298 /nfs/dbraw/zinc/31/52/98/912315298.db2.gz VMXQZHQRWNQCEI-ZDUSSCGKSA-N 2 2 297.443 0.774 20 0 CCADLP CC[NH+](CC)C[C@@H](F)C(=O)N(C)C1C[NH+](C[C@H](C)O)C1 ZINC001393005962 912321328 /nfs/dbraw/zinc/32/13/28/912321328.db2.gz OPNRASKXKVEWQH-WCQYABFASA-N 2 2 289.395 0.190 20 0 CCADLP CC1(NC(=O)CCCn2cc[nH+]c2)CC[NH+](CCO)CC1 ZINC001393081540 912379426 /nfs/dbraw/zinc/37/94/26/912379426.db2.gz PRUMEBUIDLZREW-UHFFFAOYSA-N 2 2 294.399 0.626 20 0 CCADLP C[C@H](O)C[NH+]1CCC(C)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001393079341 912376272 /nfs/dbraw/zinc/37/62/72/912376272.db2.gz JXPTXHVELPJPDA-LBPRGKRZSA-N 2 2 280.372 0.235 20 0 CCADLP CC(C)(C)CC[NH+]1CC(O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001393366063 912537523 /nfs/dbraw/zinc/53/75/23/912537523.db2.gz HZYUMDQJECAUBU-UHFFFAOYSA-N 2 2 294.399 0.482 20 0 CCADLP Cc1nnc(C[N@@H+](C)CCCN(C)C(=O)CC[NH+](C)C)o1 ZINC001393630516 912693014 /nfs/dbraw/zinc/69/30/14/912693014.db2.gz NKLBAQKDHHRNHL-UHFFFAOYSA-N 2 2 297.403 0.610 20 0 CCADLP Cc1nnc(C[N@H+](C)CCCN(C)C(=O)CC[NH+](C)C)o1 ZINC001393630516 912693025 /nfs/dbraw/zinc/69/30/25/912693025.db2.gz NKLBAQKDHHRNHL-UHFFFAOYSA-N 2 2 297.403 0.610 20 0 CCADLP CCOCC[NH2+]C[C@]1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001324803795 913042643 /nfs/dbraw/zinc/04/26/43/913042643.db2.gz MJRJVPKPGQDTOR-HNNXBMFYSA-N 2 2 294.399 0.817 20 0 CCADLP CC(C)OCC[NH+]1CC([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001394243846 913097086 /nfs/dbraw/zinc/09/70/86/913097086.db2.gz BISHNNUXPWMBSM-LBPRGKRZSA-N 2 2 294.399 0.814 20 0 CCADLP C[C@H](CN(C)C(=O)CCn1cc[nH+]c1)[NH2+]C[C@H]1CCOC1 ZINC001394510746 913228222 /nfs/dbraw/zinc/22/82/22/913228222.db2.gz ZZAXLHGJJNYGSK-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1cnon1)[NH+](C)C ZINC001394544498 913251536 /nfs/dbraw/zinc/25/15/36/913251536.db2.gz XUTWMRGNPNSLKD-CMPLNLGQSA-N 2 2 283.376 0.346 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001266331643 891452600 /nfs/dbraw/zinc/45/26/00/891452600.db2.gz STSCWRUYJZWGAF-LLVKDONJSA-N 2 2 250.346 0.563 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001266331643 891452605 /nfs/dbraw/zinc/45/26/05/891452605.db2.gz STSCWRUYJZWGAF-LLVKDONJSA-N 2 2 250.346 0.563 20 0 CCADLP CCC[N@H+](C)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001480882934 891546325 /nfs/dbraw/zinc/54/63/25/891546325.db2.gz BJDJDPBBZFCIFM-GFCCVEGCSA-N 2 2 264.373 0.904 20 0 CCADLP CCC[N@@H+](C)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001480882934 891546332 /nfs/dbraw/zinc/54/63/32/891546332.db2.gz BJDJDPBBZFCIFM-GFCCVEGCSA-N 2 2 264.373 0.904 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001481066103 892126570 /nfs/dbraw/zinc/12/65/70/892126570.db2.gz QXAHWLKWBUYYDN-STQMWFEESA-N 2 2 294.399 0.578 20 0 CCADLP CO[C@@H](C)C[N@H+]1CCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001481066103 892126582 /nfs/dbraw/zinc/12/65/82/892126582.db2.gz QXAHWLKWBUYYDN-STQMWFEESA-N 2 2 294.399 0.578 20 0 CCADLP CCOCC[N@H+](C)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001267707694 892345980 /nfs/dbraw/zinc/34/59/80/892345980.db2.gz FJRIIZUZHMGNKN-CQSZACIVSA-N 2 2 294.399 0.700 20 0 CCADLP CCOCC[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001267707694 892345995 /nfs/dbraw/zinc/34/59/95/892345995.db2.gz FJRIIZUZHMGNKN-CQSZACIVSA-N 2 2 294.399 0.700 20 0 CCADLP CC(C)[NH2+]CCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001481249280 892434056 /nfs/dbraw/zinc/43/40/56/892434056.db2.gz BIZDNQMNGSNPAO-LBPRGKRZSA-N 2 2 264.373 0.902 20 0 CCADLP Cc1nnc(C[NH2+]CCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)o1 ZINC001481303135 892552819 /nfs/dbraw/zinc/55/28/19/892552819.db2.gz VSLKXIOPIIUGFC-LBPRGKRZSA-N 2 2 295.387 0.268 20 0 CCADLP Cc1nnc(C[NH2+]CCN(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)o1 ZINC001481303135 892552829 /nfs/dbraw/zinc/55/28/29/892552829.db2.gz VSLKXIOPIIUGFC-LBPRGKRZSA-N 2 2 295.387 0.268 20 0 CCADLP CC(C)OCC[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001481744320 893107791 /nfs/dbraw/zinc/10/77/91/893107791.db2.gz MOGRTBYYWPZRND-AWEZNQCLSA-N 2 2 294.399 0.910 20 0 CCADLP CC(C)OCC[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001481744320 893107798 /nfs/dbraw/zinc/10/77/98/893107798.db2.gz MOGRTBYYWPZRND-AWEZNQCLSA-N 2 2 294.399 0.910 20 0 CCADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cnoc1C ZINC001481886154 893246018 /nfs/dbraw/zinc/24/60/18/893246018.db2.gz ZVQHENOXCKCQNZ-ZDUSSCGKSA-N 2 2 291.355 0.864 20 0 CCADLP COC[C@H](C)[NH2+]C[C@@](C)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001481944811 893282925 /nfs/dbraw/zinc/28/29/25/893282925.db2.gz UWDHLQSZQHOQIQ-XHDPSFHLSA-N 2 2 294.399 0.862 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001482124792 893412963 /nfs/dbraw/zinc/41/29/63/893412963.db2.gz BSOPZWUNHMCXSI-NWDGAFQWSA-N 2 2 282.388 0.075 20 0 CCADLP Cc1nn(CCO)c(C)c1C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC001363349894 893730268 /nfs/dbraw/zinc/73/02/68/893730268.db2.gz JSYDSWALYZTBSQ-NSHDSACASA-N 2 2 277.372 0.867 20 0 CCADLP C[C@H](C[NH2+]CCCO)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001482338713 893887626 /nfs/dbraw/zinc/88/76/26/893887626.db2.gz PDMIYBXYGJKUQQ-QWHCGFSZSA-N 2 2 282.388 0.653 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001482433282 893978000 /nfs/dbraw/zinc/97/80/00/893978000.db2.gz JRZVKFIDXYMLBF-JSGCOSHPSA-N 2 2 294.399 0.436 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001482433281 893979154 /nfs/dbraw/zinc/97/91/54/893979154.db2.gz JRZVKFIDXYMLBF-GXTWGEPZSA-N 2 2 294.399 0.436 20 0 CCADLP C[C@@H](CC[NH2+]Cc1cnn(C)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001482871986 894661684 /nfs/dbraw/zinc/66/16/84/894661684.db2.gz CKEUINAYHQIHRU-NSHDSACASA-N 2 2 290.371 0.370 20 0 CCADLP C[C@H](C[NH2+]C[C@@H]1CCCOC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001483134894 895011059 /nfs/dbraw/zinc/01/10/59/895011059.db2.gz PTEKHUZCQYIYOZ-OLZOCXBDSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@H](C[NH2+]C[C@@H]1CCCOC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001483134894 895011073 /nfs/dbraw/zinc/01/10/73/895011073.db2.gz PTEKHUZCQYIYOZ-OLZOCXBDSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1cnns1 ZINC001409481238 895202022 /nfs/dbraw/zinc/20/20/22/895202022.db2.gz XJOCKXYGCQAIKS-VHSXEESVSA-N 2 2 294.384 0.418 20 0 CCADLP C[C@@H](C[NH2+]C[C@@H]1CCCOC1)NC(=O)CCn1cc[nH+]c1 ZINC001483253869 895386220 /nfs/dbraw/zinc/38/62/20/895386220.db2.gz TWVSQPOMMWXQCL-KBPBESRZSA-N 2 2 294.399 0.794 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001483270344 895400181 /nfs/dbraw/zinc/40/01/81/895400181.db2.gz UWURQPNWWVODJD-VHSXEESVSA-N 2 2 254.334 0.081 20 0 CCADLP CCc1noc(C[NH2+]C[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C)n1 ZINC001483284312 895412277 /nfs/dbraw/zinc/41/22/77/895412277.db2.gz IVFYMIZFGVMRNJ-WDEREUQCSA-N 2 2 297.403 0.567 20 0 CCADLP CN(CCC[NH2+]CCF)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001483476825 895597789 /nfs/dbraw/zinc/59/77/89/895597789.db2.gz JUJPQQPYSDMUSS-LBPRGKRZSA-N 2 2 282.363 0.853 20 0 CCADLP C[C@H](CC(=O)NC[C@H]1CC[N@@H+]1CCO)n1cc[nH+]c1 ZINC001483683735 895848795 /nfs/dbraw/zinc/84/87/95/895848795.db2.gz ODJIZTJHMKULFJ-VXGBXAGGSA-N 2 2 266.345 0.017 20 0 CCADLP C[C@H](CC(=O)NC[C@H]1CC[N@H+]1CCO)n1cc[nH+]c1 ZINC001483683735 895848804 /nfs/dbraw/zinc/84/88/04/895848804.db2.gz ODJIZTJHMKULFJ-VXGBXAGGSA-N 2 2 266.345 0.017 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC001483916733 896113146 /nfs/dbraw/zinc/11/31/46/896113146.db2.gz CDNBONXBAZQEMI-QWHCGFSZSA-N 2 2 280.372 0.499 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CCCC1 ZINC001484008491 896148761 /nfs/dbraw/zinc/14/87/61/896148761.db2.gz QSEQAESVJHXPON-SMDDNHRTSA-N 2 2 294.399 0.598 20 0 CCADLP COCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001484347804 896351400 /nfs/dbraw/zinc/35/14/00/896351400.db2.gz KGCFGAIRMZAFHS-VXGBXAGGSA-N 2 2 280.372 0.425 20 0 CCADLP C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C[NH2+]CCCO ZINC001484369549 896363108 /nfs/dbraw/zinc/36/31/08/896363108.db2.gz OTOLSVSXXTWKEM-QWHCGFSZSA-N 2 2 294.399 0.409 20 0 CCADLP C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCCO ZINC001484369549 896363122 /nfs/dbraw/zinc/36/31/22/896363122.db2.gz OTOLSVSXXTWKEM-QWHCGFSZSA-N 2 2 294.399 0.409 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[C@H]([NH2+]C[C@H](C)O)C1 ZINC001397148601 914067532 /nfs/dbraw/zinc/06/75/32/914067532.db2.gz XQKIZKBHZVFMAE-DLOVCJGASA-N 2 2 280.372 0.126 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cnsn1 ZINC001485215021 896852779 /nfs/dbraw/zinc/85/27/79/896852779.db2.gz ISEXGWZPAQPNJE-QWRGUYRKSA-N 2 2 299.444 0.863 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cnsn1 ZINC001485215021 896852786 /nfs/dbraw/zinc/85/27/86/896852786.db2.gz ISEXGWZPAQPNJE-QWRGUYRKSA-N 2 2 299.444 0.863 20 0 CCADLP C[C@@H]([NH2+]CCF)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001485642015 897165236 /nfs/dbraw/zinc/16/52/36/897165236.db2.gz AUPGRMBRZDDLFY-ZYHUDNBSSA-N 2 2 284.335 0.127 20 0 CCADLP CC[N@H+](C)CCOCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001485771796 897238964 /nfs/dbraw/zinc/23/89/64/897238964.db2.gz FAIRKIDMKZNZLC-VXGBXAGGSA-N 2 2 280.372 0.598 20 0 CCADLP CC[N@@H+](C)CCOCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001485771796 897238976 /nfs/dbraw/zinc/23/89/76/897238976.db2.gz FAIRKIDMKZNZLC-VXGBXAGGSA-N 2 2 280.372 0.598 20 0 CCADLP CC[N@H+](C)CCOCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001485771796 897238990 /nfs/dbraw/zinc/23/89/90/897238990.db2.gz FAIRKIDMKZNZLC-VXGBXAGGSA-N 2 2 280.372 0.598 20 0 CCADLP CC[N@@H+](C)CCOCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001485771796 897239000 /nfs/dbraw/zinc/23/90/00/897239000.db2.gz FAIRKIDMKZNZLC-VXGBXAGGSA-N 2 2 280.372 0.598 20 0 CCADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032477882 897623915 /nfs/dbraw/zinc/62/39/15/897623915.db2.gz VBUFNBHGRGXWPF-RYUDHWBXSA-N 2 2 286.335 0.454 20 0 CCADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032477882 897623922 /nfs/dbraw/zinc/62/39/22/897623922.db2.gz VBUFNBHGRGXWPF-RYUDHWBXSA-N 2 2 286.335 0.454 20 0 CCADLP C[NH+]1CCN(c2ncc(Nc3ccc[nH+]c3N)cn2)CC1 ZINC001212391174 897812403 /nfs/dbraw/zinc/81/24/03/897812403.db2.gz ILBBJKZOGQWXRK-UHFFFAOYSA-N 2 2 285.355 0.949 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CCC(C)C)C[C@H]1O ZINC001078083156 898225602 /nfs/dbraw/zinc/22/56/02/898225602.db2.gz JXWFXVGOQQSARK-ZIAGYGMSSA-N 2 2 294.399 0.468 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1O ZINC001078083156 898225614 /nfs/dbraw/zinc/22/56/14/898225614.db2.gz JXWFXVGOQQSARK-ZIAGYGMSSA-N 2 2 294.399 0.468 20 0 CCADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]Cc1cnns1 ZINC001485926658 898508832 /nfs/dbraw/zinc/50/88/32/898508832.db2.gz LQNMCIKTFFOABZ-VIFPVBQESA-N 2 2 294.384 0.440 20 0 CCADLP C[NH+](C)CC[C@H](N)C(=O)NCCCCn1cc[nH+]c1 ZINC001326908474 914263709 /nfs/dbraw/zinc/26/37/09/914263709.db2.gz XRIHFTCHYUXTNI-LBPRGKRZSA-N 2 2 267.377 0.059 20 0 CCADLP CCO[C@@H]1CN(C(=O)[C@@H](C)n2cc[nH+]c2)C[C@H]1C[NH3+] ZINC001326908072 914262129 /nfs/dbraw/zinc/26/21/29/914262129.db2.gz VIONXPDLIVARPA-IJLUTSLNSA-N 2 2 266.345 0.266 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCCO)CN1C(=O)CCn1cc[nH+]c1 ZINC001486118208 898673721 /nfs/dbraw/zinc/67/37/21/898673721.db2.gz PBAUOJYVHWKHNX-STQMWFEESA-N 2 2 280.372 0.235 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001397661168 914322156 /nfs/dbraw/zinc/32/21/56/914322156.db2.gz WRARMLFHXKAFJS-OBJOEFQTSA-N 2 2 294.399 0.862 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001397661168 914322173 /nfs/dbraw/zinc/32/21/73/914322173.db2.gz WRARMLFHXKAFJS-OBJOEFQTSA-N 2 2 294.399 0.862 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001410213022 899282313 /nfs/dbraw/zinc/28/23/13/899282313.db2.gz XVYBZVZNXHGHRH-JHJVBQTASA-N 2 2 280.372 0.138 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NC[C@@H](CO)[NH2+]CC(C)C ZINC001410668845 899522194 /nfs/dbraw/zinc/52/21/94/899522194.db2.gz NOIVVNFGVRDAOZ-ZDUSSCGKSA-N 2 2 295.383 0.355 20 0 CCADLP CC(C)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001410670096 899524668 /nfs/dbraw/zinc/52/46/68/899524668.db2.gz OHGJPLCXIHYXAR-QWHCGFSZSA-N 2 2 294.399 0.168 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)CCc2c[nH+]cn2C)CCC[N@@H+]1CCO ZINC001410927904 899632543 /nfs/dbraw/zinc/63/25/43/899632543.db2.gz NZKHLUUTQKCVFQ-OCCSQVGLSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)CCc2c[nH+]cn2C)CCC[N@H+]1CCO ZINC001410927904 899632550 /nfs/dbraw/zinc/63/25/50/899632550.db2.gz NZKHLUUTQKCVFQ-OCCSQVGLSA-N 2 2 294.399 0.314 20 0 CCADLP CO[C@H](C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1)C1CCCC1 ZINC001134397895 899834074 /nfs/dbraw/zinc/83/40/74/899834074.db2.gz XPGOUITXYJJQBQ-CQSZACIVSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@@H](C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)n1cc[nH+]c1 ZINC001327196797 914414109 /nfs/dbraw/zinc/41/41/09/914414109.db2.gz WULLXOYGLKKORU-GRYCIOLGSA-N 2 2 250.346 0.887 20 0 CCADLP C[C@H]([NH2+]CCO)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001490306090 900595425 /nfs/dbraw/zinc/59/54/25/900595425.db2.gz NGGXURUESMLYKD-AAEUAGOBSA-N 2 2 280.372 0.304 20 0 CCADLP CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCO1 ZINC001280648665 900739363 /nfs/dbraw/zinc/73/93/63/900739363.db2.gz NFSZDDWIZVZHHC-TZMCWYRMSA-N 2 2 294.399 0.815 20 0 CCADLP CCC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCO1 ZINC001280648665 900739368 /nfs/dbraw/zinc/73/93/68/900739368.db2.gz NFSZDDWIZVZHHC-TZMCWYRMSA-N 2 2 294.399 0.815 20 0 CCADLP CCC[NH2+]C[C@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCO1 ZINC001280648664 900739386 /nfs/dbraw/zinc/73/93/86/900739386.db2.gz NFSZDDWIZVZHHC-OCCSQVGLSA-N 2 2 294.399 0.815 20 0 CCADLP CCC[NH2+]C[C@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCO1 ZINC001280648664 900739389 /nfs/dbraw/zinc/73/93/89/900739389.db2.gz NFSZDDWIZVZHHC-OCCSQVGLSA-N 2 2 294.399 0.815 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001399592565 915260451 /nfs/dbraw/zinc/26/04/51/915260451.db2.gz FXGYWAFWERAKHX-NEPJUHHUSA-N 2 2 282.388 0.671 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)C[N@H+](C)[C@@H]2CCSC2)c1 ZINC001412209509 901559331 /nfs/dbraw/zinc/55/93/31/901559331.db2.gz CDRMXXQFIZCAOB-GFCCVEGCSA-N 2 2 282.413 0.516 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)C[N@@H+](C)[C@@H]2CCSC2)c1 ZINC001412209509 901559336 /nfs/dbraw/zinc/55/93/36/901559336.db2.gz CDRMXXQFIZCAOB-GFCCVEGCSA-N 2 2 282.413 0.516 20 0 CCADLP C[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CCO)n1cc[nH+]c1 ZINC001412992087 902451082 /nfs/dbraw/zinc/45/10/82/902451082.db2.gz SLIFLYFLDDQQGW-STQMWFEESA-N 2 2 280.372 0.407 20 0 CCADLP C[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1CCO)n1cc[nH+]c1 ZINC001412992087 902451086 /nfs/dbraw/zinc/45/10/86/902451086.db2.gz SLIFLYFLDDQQGW-STQMWFEESA-N 2 2 280.372 0.407 20 0 CCADLP COC[C@H](C)[NH2+][C@H](CNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001398444899 914654041 /nfs/dbraw/zinc/65/40/41/914654041.db2.gz WDZZTERVJMSRTI-GXFFZTMASA-N 2 2 280.372 0.472 20 0 CCADLP CCc1noc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001491414276 903560318 /nfs/dbraw/zinc/56/03/18/903560318.db2.gz SLIQZDNTMOXTCN-QWRGUYRKSA-N 2 2 295.387 0.321 20 0 CCADLP CCc1noc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001491414276 903560327 /nfs/dbraw/zinc/56/03/27/903560327.db2.gz SLIQZDNTMOXTCN-QWRGUYRKSA-N 2 2 295.387 0.321 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[NH2+]CCF ZINC001495682672 903617418 /nfs/dbraw/zinc/61/74/18/903617418.db2.gz MHRGDQGHVSQIEZ-HBNTYKKESA-N 2 2 268.336 0.825 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[NH2+]CCF ZINC001495682672 903617405 /nfs/dbraw/zinc/61/74/05/903617405.db2.gz MHRGDQGHVSQIEZ-HBNTYKKESA-N 2 2 268.336 0.825 20 0 CCADLP Cc1cc(C[N@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)C2)on1 ZINC001442608099 903696293 /nfs/dbraw/zinc/69/62/93/903696293.db2.gz JXLSLYFAFHQBIX-GFCCVEGCSA-N 2 2 280.372 0.483 20 0 CCADLP Cc1cc(C[N@@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)C2)on1 ZINC001442608099 903696299 /nfs/dbraw/zinc/69/62/99/903696299.db2.gz JXLSLYFAFHQBIX-GFCCVEGCSA-N 2 2 280.372 0.483 20 0 CCADLP Cc1cc(C[NH+](C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)on1 ZINC001442608099 903696308 /nfs/dbraw/zinc/69/63/08/903696308.db2.gz JXLSLYFAFHQBIX-GFCCVEGCSA-N 2 2 280.372 0.483 20 0 CCADLP Cc1cc(C[NH+](C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)on1 ZINC001442608099 903696317 /nfs/dbraw/zinc/69/63/17/903696317.db2.gz JXLSLYFAFHQBIX-GFCCVEGCSA-N 2 2 280.372 0.483 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001327863216 914818691 /nfs/dbraw/zinc/81/86/91/914818691.db2.gz FVTRPXQCPIAENC-MNOVXSKESA-N 2 2 250.346 0.417 20 0 CCADLP CC[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C[C@H]1CCCOC1 ZINC001377350733 904796169 /nfs/dbraw/zinc/79/61/69/904796169.db2.gz WDHMFMCQKIXYDT-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP CC[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C[C@H]1CCCOC1 ZINC001377350733 904796180 /nfs/dbraw/zinc/79/61/80/904796180.db2.gz WDHMFMCQKIXYDT-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@H]1CC[C@H](C[NH2+]CCO)C1 ZINC001284196951 905183038 /nfs/dbraw/zinc/18/30/38/905183038.db2.gz ONSOQLLCPFRWDQ-STQMWFEESA-N 2 2 280.372 0.140 20 0 CCADLP Cc1nocc1C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001377857728 905191022 /nfs/dbraw/zinc/19/10/22/905191022.db2.gz GTRQLYSZPIXEPA-UWVGGRQHSA-N 2 2 291.355 0.932 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@H](C[NH2+]CCF)C1 ZINC001284243629 905217575 /nfs/dbraw/zinc/21/75/75/905217575.db2.gz HWGSZKFXLXJWKT-RYUDHWBXSA-N 2 2 268.336 0.727 20 0 CCADLP Cc1oncc1C[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001378025767 905351724 /nfs/dbraw/zinc/35/17/24/905351724.db2.gz NHKIYRLAPXPMED-UHFFFAOYSA-N 2 2 292.383 0.627 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC(N)=O ZINC001378078644 905407552 /nfs/dbraw/zinc/40/75/52/905407552.db2.gz MGLSHJRABRLZHD-STQMWFEESA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC(N)=O ZINC001378078644 905407554 /nfs/dbraw/zinc/40/75/54/905407554.db2.gz MGLSHJRABRLZHD-STQMWFEESA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CC(N)=O ZINC001378078644 905407555 /nfs/dbraw/zinc/40/75/55/905407555.db2.gz MGLSHJRABRLZHD-STQMWFEESA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CC(N)=O ZINC001378078644 905407557 /nfs/dbraw/zinc/40/75/57/905407557.db2.gz MGLSHJRABRLZHD-STQMWFEESA-N 2 2 298.431 0.029 20 0 CCADLP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1cnon1 ZINC001378307768 905583180 /nfs/dbraw/zinc/58/31/80/905583180.db2.gz XDTOJWDCIAOIBE-YPMHNXCESA-N 2 2 295.387 0.538 20 0 CCADLP CC[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1cnon1 ZINC001378307768 905583201 /nfs/dbraw/zinc/58/32/01/905583201.db2.gz XDTOJWDCIAOIBE-YPMHNXCESA-N 2 2 295.387 0.538 20 0 CCADLP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1nnc(C)[nH]1)[NH+](C)C ZINC001378778011 905815256 /nfs/dbraw/zinc/81/52/56/905815256.db2.gz MJJBYWBVTLVWQA-CMPLNLGQSA-N 2 2 296.419 0.390 20 0 CCADLP C[C@H](C[NH2+]Cc1cnn(C)c1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001378873200 905867299 /nfs/dbraw/zinc/86/72/99/905867299.db2.gz QWMCSAUMPIRLDL-GFCCVEGCSA-N 2 2 290.371 0.253 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N[C@H](C)C[NH2+]C[C@H](C)OC ZINC001379381604 906199145 /nfs/dbraw/zinc/19/91/45/906199145.db2.gz DUPHNYXIOFIOOJ-NEPJUHHUSA-N 2 2 295.383 0.762 20 0 CCADLP C[C@@H](C[NH2+]CC1CC1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001379521802 906320656 /nfs/dbraw/zinc/32/06/56/906320656.db2.gz YMDUPVDBIBPPKT-AAEUAGOBSA-N 2 2 276.384 0.950 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH2+]Cc1nonc1C ZINC001379535279 906332132 /nfs/dbraw/zinc/33/21/32/906332132.db2.gz JRSIIQNPSWKASP-VIFPVBQESA-N 2 2 292.343 0.177 20 0 CCADLP C[NH+](C)C[C@@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001292800066 906343156 /nfs/dbraw/zinc/34/31/56/906343156.db2.gz TYOBHUWLXCRMRU-NSHDSACASA-N 2 2 250.346 0.895 20 0 CCADLP CN(C[C@@H](O)C[NH2+]CC1CC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001379790161 906480736 /nfs/dbraw/zinc/48/07/36/906480736.db2.gz MBGYCBDSFNJXLS-YNEHKIRRSA-N 2 2 292.383 0.332 20 0 CCADLP CN(C[C@@H](O)C[NH2+]CC1CC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001379790161 906480741 /nfs/dbraw/zinc/48/07/41/906480741.db2.gz MBGYCBDSFNJXLS-YNEHKIRRSA-N 2 2 292.383 0.332 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[N@H+]1CCOC(C)C ZINC001380033376 906598241 /nfs/dbraw/zinc/59/82/41/906598241.db2.gz UQCWFRNRCWUNEN-CYBMUJFWSA-N 2 2 294.399 0.876 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[N@@H+]1CCOC(C)C ZINC001380033376 906598261 /nfs/dbraw/zinc/59/82/61/906598261.db2.gz UQCWFRNRCWUNEN-CYBMUJFWSA-N 2 2 294.399 0.876 20 0 CCADLP CC(C)[N@H+](C)CCC[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC001335351793 906697689 /nfs/dbraw/zinc/69/76/89/906697689.db2.gz PDZYWVZGGQMZNJ-UHFFFAOYSA-N 2 2 292.445 0.246 20 0 CCADLP CC(C)[N@@H+](C)CCC[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC001335351793 906697699 /nfs/dbraw/zinc/69/76/99/906697699.db2.gz PDZYWVZGGQMZNJ-UHFFFAOYSA-N 2 2 292.445 0.246 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@](CO)([NH2+]CCF)C1 ZINC001381057048 907056731 /nfs/dbraw/zinc/05/67/31/907056731.db2.gz YHDMSBGUFZHLOV-CQSZACIVSA-N 2 2 298.362 0.173 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1ccccn1 ZINC001491639896 907477660 /nfs/dbraw/zinc/47/76/60/907477660.db2.gz RXJAFSNBQAHFOR-LBPRGKRZSA-N 2 2 287.367 0.652 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1ncccn1 ZINC001491650700 907484690 /nfs/dbraw/zinc/48/46/90/907484690.db2.gz SCBMHJMOFKQOCZ-GFCCVEGCSA-N 2 2 279.388 0.413 20 0 CCADLP COC[C@@H](C)[N@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001491966688 907652755 /nfs/dbraw/zinc/65/27/55/907652755.db2.gz HIKYUTOSKXZJKW-KGLIPLIRSA-N 2 2 294.399 0.841 20 0 CCADLP COC[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001491966688 907652771 /nfs/dbraw/zinc/65/27/71/907652771.db2.gz HIKYUTOSKXZJKW-KGLIPLIRSA-N 2 2 294.399 0.841 20 0 CCADLP COCCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001317249859 907999042 /nfs/dbraw/zinc/99/90/42/907999042.db2.gz BGBVDFQNFDOBQO-STQMWFEESA-N 2 2 294.399 0.576 20 0 CCADLP C[C@H]1C[C@H](C)N(C(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC001336963233 908034031 /nfs/dbraw/zinc/03/40/31/908034031.db2.gz KFXDCQGOJJHPFG-RYUDHWBXSA-N 2 2 268.405 0.849 20 0 CCADLP C[NH+](C)CC[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001303479198 908085228 /nfs/dbraw/zinc/08/52/28/908085228.db2.gz VQELACPTWCKISJ-LLVKDONJSA-N 2 2 250.346 0.752 20 0 CCADLP CCOCC[N@@H+]1CC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001317519246 908581753 /nfs/dbraw/zinc/58/17/53/908581753.db2.gz BSBCLYVUMJVGLY-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP CCOCC[N@H+]1CC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001317519246 908581761 /nfs/dbraw/zinc/58/17/61/908581761.db2.gz BSBCLYVUMJVGLY-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP CCOCC[N@@H+]1CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001317519246 908581769 /nfs/dbraw/zinc/58/17/69/908581769.db2.gz BSBCLYVUMJVGLY-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP CCOCC[N@H+]1CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001317519246 908581777 /nfs/dbraw/zinc/58/17/77/908581777.db2.gz BSBCLYVUMJVGLY-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP C[C@H](C(=O)N[C@H]1[C@H](C)CC[NH2+][C@@H]1C)n1cc[nH+]c1 ZINC001328594473 908692590 /nfs/dbraw/zinc/69/25/90/908692590.db2.gz VZAXJJUQOFMHNJ-KKOKHZNYSA-N 2 2 250.346 0.947 20 0 CCADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[C@H]([NH2+]CCCO)C1 ZINC001317059703 908949454 /nfs/dbraw/zinc/94/94/54/908949454.db2.gz XESMSIZZDCZSFD-STQMWFEESA-N 2 2 292.383 0.018 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001417628373 921467010 /nfs/dbraw/zinc/46/70/10/921467010.db2.gz QDASKPLGOBDGHZ-KGLIPLIRSA-N 2 2 292.383 0.249 20 0 CCADLP O=C(NCCn1cc[nH+]c1)NC[C@H]1CCCCC[NH2+]1 ZINC001338433572 921467198 /nfs/dbraw/zinc/46/71/98/921467198.db2.gz XJBQVBSTPUBERL-GFCCVEGCSA-N 2 2 265.361 0.715 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([NH2+]C/C=C\Cl)C1 ZINC001317305193 909131348 /nfs/dbraw/zinc/13/13/48/909131348.db2.gz GBBHWKFOBGUQLQ-OODOAVRDSA-N 2 2 268.748 0.895 20 0 CCADLP COCCCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001317311364 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O=C(CCCn1cc[nH+]c1)N[C@H]1CC[N@H+](CCCO)C1 ZINC001389513802 909947354 /nfs/dbraw/zinc/94/73/54/909947354.db2.gz BQZHYFBBUPXCGB-ZDUSSCGKSA-N 2 2 280.372 0.236 20 0 CCADLP C[C@@H](C(=O)NC1(CCO)CC[NH+](C)CC1)n1cc[nH+]c1 ZINC001417702804 921552672 /nfs/dbraw/zinc/55/26/72/921552672.db2.gz NTNNXEUPQWDVFN-LBPRGKRZSA-N 2 2 280.372 0.407 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]CCCO)[C@@H](C)C1 ZINC001319715823 910266848 /nfs/dbraw/zinc/26/68/48/910266848.db2.gz RYJKQMMTURNOBR-AAEUAGOBSA-N 2 2 294.399 0.470 20 0 CCADLP CC(C)[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CCCO ZINC001319947057 910367791 /nfs/dbraw/zinc/36/77/91/910367791.db2.gz KTMNYWDTFYWONL-GFCCVEGCSA-N 2 2 268.361 0.065 20 0 CCADLP NC(=O)C[C@H]([NH2+]CCn1cc[nH+]c1)C1CCOCC1 ZINC001320087583 910455748 /nfs/dbraw/zinc/45/57/48/910455748.db2.gz BXECOZLUZJXBLB-LBPRGKRZSA-N 2 2 266.345 0.143 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1cccnc1 ZINC001390489626 910463750 /nfs/dbraw/zinc/46/37/50/910463750.db2.gz 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ZINC001390998662 910808907 /nfs/dbraw/zinc/80/89/07/910808907.db2.gz LMAPFXFGLWXKQF-CYBMUJFWSA-N 2 2 294.399 0.959 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC1C[NH+](CC2CC2)C1 ZINC001391458028 911145948 /nfs/dbraw/zinc/14/59/48/911145948.db2.gz BBQXKJPJJUYUBA-LBPRGKRZSA-N 2 2 281.400 0.165 20 0 CCADLP CC[NH2+]C/C=C/CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001321210718 911164613 /nfs/dbraw/zinc/16/46/13/911164613.db2.gz VGCANZGZUCQUSR-NFAHFFEMSA-N 2 2 295.427 0.912 20 0 CCADLP CC[NH2+]C/C=C/CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001321210718 911164625 /nfs/dbraw/zinc/16/46/25/911164625.db2.gz VGCANZGZUCQUSR-NFAHFFEMSA-N 2 2 295.427 0.912 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC/C=C/C[NH2+]CCCF ZINC001321262543 911196002 /nfs/dbraw/zinc/19/60/02/911196002.db2.gz PDYHHAOOBCLHRQ-OWOJBTEDSA-N 2 2 254.309 0.574 20 0 CCADLP CO[C@@H](C)C[NH2+]C/C=C\CNC(=O)Cc1c[nH+]cn1C ZINC001321336677 911240837 /nfs/dbraw/zinc/24/08/37/911240837.db2.gz LOGXODBVSRUISH-RXNFCKPNSA-N 2 2 280.372 0.260 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001391586099 911242796 /nfs/dbraw/zinc/24/27/96/911242796.db2.gz HROPHOPDDCEDSQ-CHWSQXEVSA-N 2 2 280.372 0.499 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001391586099 911242809 /nfs/dbraw/zinc/24/28/09/911242809.db2.gz HROPHOPDDCEDSQ-CHWSQXEVSA-N 2 2 280.372 0.499 20 0 CCADLP C[C@H](C[NH2+]CCF)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001321559993 911370578 /nfs/dbraw/zinc/37/05/78/911370578.db2.gz KEHUOHGBMPVKEI-GHMZBOCLSA-N 2 2 268.336 0.509 20 0 CCADLP CCOCC[NH2+]C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001321710579 911453827 /nfs/dbraw/zinc/45/38/27/911453827.db2.gz QMMSQIDVUSEGPL-LLVKDONJSA-N 2 2 268.361 0.093 20 0 CCADLP Cc1conc1C[NH2+]C[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001391924444 911462933 /nfs/dbraw/zinc/46/29/33/911462933.db2.gz BPXRDVIYUVWUTB-JTQLQIEISA-N 2 2 291.355 0.791 20 0 CCADLP C[C@@H](O)C[NH2+]CCCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001322583025 911870099 /nfs/dbraw/zinc/87/00/99/911870099.db2.gz WELAIPPXFYRLQY-OLZOCXBDSA-N 2 2 294.399 0.264 20 0 CCADLP C[C@H](C[NH2+][C@@H](C)c1cnccn1)NC(=O)Cn1cc[nH+]c1 ZINC001392537751 911899548 /nfs/dbraw/zinc/89/95/48/911899548.db2.gz PFLPHNQNSZYRLA-NEPJUHHUSA-N 2 2 288.355 0.529 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnon1)NC(=O)C[N@H+](C)C1CCC1 ZINC001392566353 911946742 /nfs/dbraw/zinc/94/67/42/911946742.db2.gz AWLWGAPNEVDHIX-JTQLQIEISA-N 2 2 281.360 0.148 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnon1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001392566353 911946755 /nfs/dbraw/zinc/94/67/55/911946755.db2.gz AWLWGAPNEVDHIX-JTQLQIEISA-N 2 2 281.360 0.148 20 0 CCADLP CC[NH2+]C[C@H](C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001392586089 911961229 /nfs/dbraw/zinc/96/12/29/911961229.db2.gz XAJQXCCYVCTQDH-JSGCOSHPSA-N 2 2 283.416 0.744 20 0 CCADLP CC[NH2+]C[C@H](C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001392586089 911961239 /nfs/dbraw/zinc/96/12/39/911961239.db2.gz XAJQXCCYVCTQDH-JSGCOSHPSA-N 2 2 283.416 0.744 20 0 CCADLP C[C@H](C[N@H+](C)CC[C@@H]1CCCO1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001392715993 912107220 /nfs/dbraw/zinc/10/72/20/912107220.db2.gz YJIYDHBTTZFRJN-OLZOCXBDSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H](C[N@@H+](C)CC[C@@H]1CCCO1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001392715993 912107230 /nfs/dbraw/zinc/10/72/30/912107230.db2.gz YJIYDHBTTZFRJN-OLZOCXBDSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1cnsn1 ZINC001399011842 914996509 /nfs/dbraw/zinc/99/65/09/914996509.db2.gz BXOFRNCYLQQWST-GHMZBOCLSA-N 2 2 297.428 0.474 20 0 CCADLP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1cnsn1 ZINC001399011842 914996524 /nfs/dbraw/zinc/99/65/24/914996524.db2.gz BXOFRNCYLQQWST-GHMZBOCLSA-N 2 2 297.428 0.474 20 0 CCADLP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1nncs1 ZINC001399024385 915001408 /nfs/dbraw/zinc/00/14/08/915001408.db2.gz KPFNVAUZXHPQRN-SNVBAGLBSA-N 2 2 297.428 0.474 20 0 CCADLP C[C@@H]([NH3+])C1CC[NH+](Cc2nnc3n2CCOC3)CC1 ZINC001328490914 915232328 /nfs/dbraw/zinc/23/23/28/915232328.db2.gz YUGYHHYZVIDXJT-SNVBAGLBSA-N 2 2 265.361 0.368 20 0 CCADLP CO[C@@H](C)C[N@H+](C)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001399592565 915260393 /nfs/dbraw/zinc/26/03/93/915260393.db2.gz FXGYWAFWERAKHX-NEPJUHHUSA-N 2 2 282.388 0.671 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001399592565 915260412 /nfs/dbraw/zinc/26/04/12/915260412.db2.gz FXGYWAFWERAKHX-NEPJUHHUSA-N 2 2 282.388 0.671 20 0 CCADLP CO[C@@H](C)C[N@H+](C)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001399592565 915260434 /nfs/dbraw/zinc/26/04/34/915260434.db2.gz FXGYWAFWERAKHX-NEPJUHHUSA-N 2 2 282.388 0.671 20 0 CCADLP CC[N@H+](CCNC(=O)c1cccc2[nH+]ccn21)C[C@H](C)O ZINC001399730694 915347744 /nfs/dbraw/zinc/34/77/44/915347744.db2.gz NEBXWHDTGDCQEB-LBPRGKRZSA-N 2 2 290.367 0.767 20 0 CCADLP CC[N@@H+](CCNC(=O)c1cccc2[nH+]ccn21)C[C@H](C)O ZINC001399730694 915347763 /nfs/dbraw/zinc/34/77/63/915347763.db2.gz NEBXWHDTGDCQEB-LBPRGKRZSA-N 2 2 290.367 0.767 20 0 CCADLP CCCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001400137766 915579567 /nfs/dbraw/zinc/57/95/67/915579567.db2.gz DPFRFJYXOPQHST-ZDUSSCGKSA-N 2 2 298.431 0.125 20 0 CCADLP CCCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001400137766 915579584 /nfs/dbraw/zinc/57/95/84/915579584.db2.gz DPFRFJYXOPQHST-ZDUSSCGKSA-N 2 2 298.431 0.125 20 0 CCADLP CCCN(C(=O)C[N@H+](C)C(C)C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001400137766 915579600 /nfs/dbraw/zinc/57/96/00/915579600.db2.gz DPFRFJYXOPQHST-ZDUSSCGKSA-N 2 2 298.431 0.125 20 0 CCADLP CCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001400137766 915579618 /nfs/dbraw/zinc/57/96/18/915579618.db2.gz DPFRFJYXOPQHST-ZDUSSCGKSA-N 2 2 298.431 0.125 20 0 CCADLP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cnon1 ZINC001400927470 915990493 /nfs/dbraw/zinc/99/04/93/915990493.db2.gz NVGCDCGRKJTOQA-NSHDSACASA-N 2 2 281.360 0.150 20 0 CCADLP C[C@H]([NH2+]CCO)[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001401301725 916166392 /nfs/dbraw/zinc/16/63/92/916166392.db2.gz XAWUNVOGNKRNGH-QWHCGFSZSA-N 2 2 294.399 0.172 20 0 CCADLP COCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001401367814 916212308 /nfs/dbraw/zinc/21/23/08/916212308.db2.gz AVQCMECUKIVDDR-CYBMUJFWSA-N 2 2 294.399 0.482 20 0 CCADLP COCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001401367814 916212330 /nfs/dbraw/zinc/21/23/30/916212330.db2.gz AVQCMECUKIVDDR-CYBMUJFWSA-N 2 2 294.399 0.482 20 0 CCADLP Cc1cncc(C[NH2+]C[C@H](C)NC(=O)Cn2cc[nH+]c2)c1 ZINC001401729493 916520318 /nfs/dbraw/zinc/52/03/18/916520318.db2.gz SYWXLQIIGFHMIP-ZDUSSCGKSA-N 2 2 287.367 0.881 20 0 CCADLP COC[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001401809085 916602726 /nfs/dbraw/zinc/60/27/26/916602726.db2.gz XIVHRWYIYJSLGB-NWDGAFQWSA-N 2 2 282.388 0.434 20 0 CCADLP COC[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001401809085 916602739 /nfs/dbraw/zinc/60/27/39/916602739.db2.gz XIVHRWYIYJSLGB-NWDGAFQWSA-N 2 2 282.388 0.434 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001402171510 916846936 /nfs/dbraw/zinc/84/69/36/916846936.db2.gz CPRBBDRFDLTMSJ-WFASDCNBSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H](O)C[NH2+]C[C@]1(C)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001402191965 916859168 /nfs/dbraw/zinc/85/91/68/916859168.db2.gz XODJRKYEIBVONK-JSGCOSHPSA-N 2 2 280.372 0.092 20 0 CCADLP C[C@@]1(CNC(=O)Cn2cc[nH+]c2)CCC[N@H+](CCCO)C1 ZINC001402224354 916878017 /nfs/dbraw/zinc/87/80/17/916878017.db2.gz VBYGZTFDMRPHNZ-HNNXBMFYSA-N 2 2 294.399 0.484 20 0 CCADLP C[C@@]1(CNC(=O)Cn2cc[nH+]c2)CCC[N@@H+](CCCO)C1 ZINC001402224354 916878022 /nfs/dbraw/zinc/87/80/22/916878022.db2.gz VBYGZTFDMRPHNZ-HNNXBMFYSA-N 2 2 294.399 0.484 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H](CNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001402367416 916979901 /nfs/dbraw/zinc/97/99/01/916979901.db2.gz SFZRFJMMLAWYHF-RISCZKNCSA-N 2 2 294.399 0.482 20 0 CCADLP CC(=O)NCC[NH+]1CCC([NH2+]C[C@H]2CCO[C@H](C)C2)CC1 ZINC001402437192 917017281 /nfs/dbraw/zinc/01/72/81/917017281.db2.gz WZWMCFFRYIEWSD-HIFRSBDPSA-N 2 2 297.443 0.992 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCC[N@H+](CCO)C1 ZINC001402677994 917169390 /nfs/dbraw/zinc/16/93/90/917169390.db2.gz VXIFFRQGVJSIBP-QWHCGFSZSA-N 2 2 294.399 0.409 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCC[N@@H+](CCO)C1 ZINC001402677994 917169401 /nfs/dbraw/zinc/16/94/01/917169401.db2.gz VXIFFRQGVJSIBP-QWHCGFSZSA-N 2 2 294.399 0.409 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCC[N@H+](CCO)C1 ZINC001402677994 917169411 /nfs/dbraw/zinc/16/94/11/917169411.db2.gz VXIFFRQGVJSIBP-QWHCGFSZSA-N 2 2 294.399 0.409 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCC[N@@H+](CCO)C1 ZINC001402677994 917169421 /nfs/dbraw/zinc/16/94/21/917169421.db2.gz VXIFFRQGVJSIBP-QWHCGFSZSA-N 2 2 294.399 0.409 20 0 CCADLP CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)Cn1c[nH+]cc1C)O2 ZINC001402692744 917178695 /nfs/dbraw/zinc/17/86/95/917178695.db2.gz SZLZVGJLIVPRMF-ZDUSSCGKSA-N 2 2 292.383 0.561 20 0 CCADLP [NH3+][C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC[C@H]1F ZINC001331225708 917197631 /nfs/dbraw/zinc/19/76/31/917197631.db2.gz URRUDJQEDPKRIF-HBNTYKKESA-N 2 2 266.320 0.343 20 0 CCADLP CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001331337906 917274021 /nfs/dbraw/zinc/27/40/21/917274021.db2.gz FZNROHXQEFLTGC-NSHDSACASA-N 2 2 250.346 0.799 20 0 CCADLP CC[NH+]1CCC(CO)(NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001402888058 917318802 /nfs/dbraw/zinc/31/88/02/917318802.db2.gz DSGAPYHZRIVWGC-UHFFFAOYSA-N 2 2 294.399 0.316 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ncccn1)[NH+](C)C ZINC001403057132 917446644 /nfs/dbraw/zinc/44/66/44/917446644.db2.gz YMTVAHXTWMUKOD-TZMCWYRMSA-N 2 2 293.415 0.657 20 0 CCADLP CC[C@H](C[NH2+][C@@H](C)CNC(=O)Cc1c[nH+]cn1C)OC ZINC001403079429 917461509 /nfs/dbraw/zinc/46/15/09/917461509.db2.gz JQBWRMAWORCHCA-WCQYABFASA-N 2 2 282.388 0.482 20 0 CCADLP CC[C@H](C[NH2+][C@H](C)CNC(=O)Cc1c[nH+]cn1C)OC ZINC001403079425 917461822 /nfs/dbraw/zinc/46/18/22/917461822.db2.gz JQBWRMAWORCHCA-DGCLKSJQSA-N 2 2 282.388 0.482 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001403224553 917597396 /nfs/dbraw/zinc/59/73/96/917597396.db2.gz OZXKAIBPXYNKKL-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001403224553 917597406 /nfs/dbraw/zinc/59/74/06/917597406.db2.gz OZXKAIBPXYNKKL-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP O=C(NC1CC1)[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]2)C1 ZINC001331996366 917789811 /nfs/dbraw/zinc/78/98/11/917789811.db2.gz KGXPWPVIJFCDSC-WCQYABFASA-N 2 2 251.374 0.729 20 0 CCADLP O=C(NC1CC1)[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]2)C1 ZINC001331996366 917789816 /nfs/dbraw/zinc/78/98/16/917789816.db2.gz KGXPWPVIJFCDSC-WCQYABFASA-N 2 2 251.374 0.729 20 0 CCADLP COCCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC001332065357 917838097 /nfs/dbraw/zinc/83/80/97/917838097.db2.gz RKROOBRBDOUWIX-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP Cc1nccnc1C[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001403637627 917869860 /nfs/dbraw/zinc/86/98/60/917869860.db2.gz DTJJNWYXTUKEKX-CQSZACIVSA-N 2 2 291.399 0.427 20 0 CCADLP Cc1nccnc1C[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001403637627 917869876 /nfs/dbraw/zinc/86/98/76/917869876.db2.gz DTJJNWYXTUKEKX-CQSZACIVSA-N 2 2 291.399 0.427 20 0 CCADLP Cc1nccnc1C[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001403637627 917869893 /nfs/dbraw/zinc/86/98/93/917869893.db2.gz DTJJNWYXTUKEKX-CQSZACIVSA-N 2 2 291.399 0.427 20 0 CCADLP Cc1nccnc1C[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001403637627 917869903 /nfs/dbraw/zinc/86/99/03/917869903.db2.gz DTJJNWYXTUKEKX-CQSZACIVSA-N 2 2 291.399 0.427 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[C@H](C[NH2+]CCCO)C1 ZINC001332305824 918037472 /nfs/dbraw/zinc/03/74/72/918037472.db2.gz ASVMQWZIJMZBGL-NWDGAFQWSA-N 2 2 280.372 0.209 20 0 CCADLP CN(C[C@@H](O)C[NH2+]CC1CCC1)C(=O)CCc1c[nH]c[nH+]1 ZINC001403840730 918053708 /nfs/dbraw/zinc/05/37/08/918053708.db2.gz FGVXIEPQPBMXQY-AWEZNQCLSA-N 2 2 294.399 0.551 20 0 CCADLP CN(C[C@@H](O)C[NH2+]CC1CCC1)C(=O)CCc1c[nH+]c[nH]1 ZINC001403840730 918053723 /nfs/dbraw/zinc/05/37/23/918053723.db2.gz FGVXIEPQPBMXQY-AWEZNQCLSA-N 2 2 294.399 0.551 20 0 CCADLP CC(C)CC[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001403889568 918092547 /nfs/dbraw/zinc/09/25/47/918092547.db2.gz FCDBHKPYVSZLKO-ZDUSSCGKSA-N 2 2 296.415 0.749 20 0 CCADLP CC(C)CC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001403889568 918092553 /nfs/dbraw/zinc/09/25/53/918092553.db2.gz FCDBHKPYVSZLKO-ZDUSSCGKSA-N 2 2 296.415 0.749 20 0 CCADLP C[C@H](CC(=O)N(C)C1CC([NH2+]CCO)C1)n1cc[nH+]c1 ZINC001404022968 918171563 /nfs/dbraw/zinc/17/15/63/918171563.db2.gz JPIRBUYFBXTEFY-PNESKVBLSA-N 2 2 280.372 0.406 20 0 CCADLP Cc1cc(C[NH+]2CC(CNC(=O)CC[NH+](C)C)C2)ncn1 ZINC001404903429 918513912 /nfs/dbraw/zinc/51/39/12/918513912.db2.gz IDPBLIOMSCRAHT-UHFFFAOYSA-N 2 2 291.399 0.285 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001332976167 918571890 /nfs/dbraw/zinc/57/18/90/918571890.db2.gz NGAWNLNCIYLPPS-KKOKHZNYSA-N 2 2 260.341 0.724 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001332976167 918571905 /nfs/dbraw/zinc/57/19/05/918571905.db2.gz NGAWNLNCIYLPPS-KKOKHZNYSA-N 2 2 260.341 0.724 20 0 CCADLP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](Cc2nccn2C)C1 ZINC001405114768 918609209 /nfs/dbraw/zinc/60/92/09/918609209.db2.gz MIPGORPHYGMCJR-ZDUSSCGKSA-N 2 2 293.415 0.405 20 0 CCADLP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+](Cc2nccn2C)C1 ZINC001405114768 918609221 /nfs/dbraw/zinc/60/92/21/918609221.db2.gz MIPGORPHYGMCJR-ZDUSSCGKSA-N 2 2 293.415 0.405 20 0 CCADLP CN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1CC[N@H+](CCCO)C1 ZINC001405127135 918615823 /nfs/dbraw/zinc/61/58/23/918615823.db2.gz PBIFIOPAZPSGTC-CYBMUJFWSA-N 2 2 280.372 0.257 20 0 CCADLP CN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001405127135 918615839 /nfs/dbraw/zinc/61/58/39/918615839.db2.gz PBIFIOPAZPSGTC-CYBMUJFWSA-N 2 2 280.372 0.257 20 0 CCADLP CN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CCCO)C1 ZINC001405127135 918615854 /nfs/dbraw/zinc/61/58/54/918615854.db2.gz PBIFIOPAZPSGTC-CYBMUJFWSA-N 2 2 280.372 0.257 20 0 CCADLP CN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001405127135 918615865 /nfs/dbraw/zinc/61/58/65/918615865.db2.gz PBIFIOPAZPSGTC-CYBMUJFWSA-N 2 2 280.372 0.257 20 0 CCADLP CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1nnc(C)o1)[NH+](C)C ZINC001405879675 918958150 /nfs/dbraw/zinc/95/81/50/918958150.db2.gz AGNWXSUULBGMEX-PWSUYJOCSA-N 2 2 297.403 0.655 20 0 CCADLP COCc1cc(C[NH2+]CCCCN2CC[NH+](C)CC2)no1 ZINC001333578893 919018631 /nfs/dbraw/zinc/01/86/31/919018631.db2.gz HRACKEDSSKVTGZ-UHFFFAOYSA-N 2 2 296.415 0.938 20 0 CCADLP COCc1nnc(C[NH2+]CC2CC[NH+](C)CC2)[nH]1 ZINC001333792730 919166130 /nfs/dbraw/zinc/16/61/30/919166130.db2.gz LKAWVYWTHFLWGA-UHFFFAOYSA-N 2 2 253.350 0.383 20 0 CCADLP Cc1cccnc1C[NH2+]C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001406531671 919327129 /nfs/dbraw/zinc/32/71/29/919327129.db2.gz AEBQMPROMYLMPP-LBPRGKRZSA-N 2 2 287.367 0.950 20 0 CCADLP Cc1cc(C[NH2+]C[C@H](C)NC(=O)Cn2cc[nH+]c2C)on1 ZINC001406554581 919346357 /nfs/dbraw/zinc/34/63/57/919346357.db2.gz DHNNFAIQDZWGAO-NSHDSACASA-N 2 2 291.355 0.782 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001407098212 919614876 /nfs/dbraw/zinc/61/48/76/919614876.db2.gz HQRAMTINXSAMOH-NEPJUHHUSA-N 2 2 280.372 0.568 20 0 CCADLP COC[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001407098218 919615293 /nfs/dbraw/zinc/61/52/93/919615293.db2.gz HQRAMTINXSAMOH-NWDGAFQWSA-N 2 2 280.372 0.568 20 0 CCADLP O[C@H](C[NH2+]CCCCn1cc[nH+]c1)C[C@]1(O)CCOC1 ZINC001334765384 919750666 /nfs/dbraw/zinc/75/06/66/919750666.db2.gz VOEVRGTUWKMKHJ-UONOGXRCSA-N 2 2 283.372 0.155 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c[nH]1 ZINC001414082227 919904911 /nfs/dbraw/zinc/90/49/11/919904911.db2.gz FQYNIJVKACWVGA-CHWSQXEVSA-N 2 2 293.367 0.754 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c[nH]1 ZINC001414082227 919904924 /nfs/dbraw/zinc/90/49/24/919904924.db2.gz FQYNIJVKACWVGA-CHWSQXEVSA-N 2 2 293.367 0.754 20 0 CCADLP C[NH2+][C@H](C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001335306996 920109098 /nfs/dbraw/zinc/10/90/98/920109098.db2.gz AUUWGTNEKRGFIY-MNOVXSKESA-N 2 2 250.346 0.560 20 0 CCADLP C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001335306995 920111080 /nfs/dbraw/zinc/11/10/80/920111080.db2.gz AUUWGTNEKRGFIY-GHMZBOCLSA-N 2 2 250.346 0.560 20 0 CCADLP C[C@@H](C[NH2+]C[C@H](O)Cn1cccn1)Cn1cc[nH+]c1 ZINC001335351971 920137582 /nfs/dbraw/zinc/13/75/82/920137582.db2.gz UKZZRTJQFLDHHV-STQMWFEESA-N 2 2 263.345 0.366 20 0 CCADLP CC1(C)C[NH2+]C[C@@H]1NC(=O)NCCCn1cc[nH+]c1 ZINC001335360314 920144372 /nfs/dbraw/zinc/14/43/72/920144372.db2.gz JDCNTIIEPREVBP-NSHDSACASA-N 2 2 265.361 0.570 20 0 CCADLP COCC[N@H+](C)C[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001408340322 920155649 /nfs/dbraw/zinc/15/56/49/920155649.db2.gz ROXORLHXINCHSH-CQSZACIVSA-N 2 2 294.399 0.842 20 0 CCADLP COCC[N@@H+](C)C[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001408340322 920155654 /nfs/dbraw/zinc/15/56/54/920155654.db2.gz ROXORLHXINCHSH-CQSZACIVSA-N 2 2 294.399 0.842 20 0 CCADLP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC001335445384 920196240 /nfs/dbraw/zinc/19/62/40/920196240.db2.gz RPTIAWVZWRCRLT-HOTGVXAUSA-N 3 2 298.475 0.059 20 0 CCADLP C[C@@H](CC(=O)NC1(C[NH3+])CCOCC1)n1cc[nH+]c1 ZINC001336743160 920974131 /nfs/dbraw/zinc/97/41/31/920974131.db2.gz WQDXECXWQLXJFM-NSHDSACASA-N 2 2 266.345 0.458 20 0 CCADLP CCc1cnc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001418218011 921929024 /nfs/dbraw/zinc/92/90/24/921929024.db2.gz XZLVKHDGXYQPBK-WCQYABFASA-N 2 2 294.399 0.926 20 0 CCADLP CCc1cnc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001418218011 921929031 /nfs/dbraw/zinc/92/90/31/921929031.db2.gz XZLVKHDGXYQPBK-WCQYABFASA-N 2 2 294.399 0.926 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CC1CC1 ZINC001418235493 921947954 /nfs/dbraw/zinc/94/79/54/921947954.db2.gz DUVYEIMPHGYTBQ-WCQYABFASA-N 2 2 276.384 0.950 20 0 CCADLP C[C@@H]1CC[C@H](C[N@H+](C)CCNC(=O)Cc2[nH]cc[nH+]2)O1 ZINC001418507813 922196703 /nfs/dbraw/zinc/19/67/03/922196703.db2.gz XWYJMFWTEZBOPU-VXGBXAGGSA-N 2 2 280.372 0.568 20 0 CCADLP C[C@@H]1CC[C@H](C[N@@H+](C)CCNC(=O)Cc2[nH]cc[nH+]2)O1 ZINC001418507813 922196709 /nfs/dbraw/zinc/19/67/09/922196709.db2.gz XWYJMFWTEZBOPU-VXGBXAGGSA-N 2 2 280.372 0.568 20 0 CCADLP C[N@H+](CCNC(=O)Cn1cc[nH+]c1)C[C@@H]1C[C@]12CCOC2 ZINC001418526551 922219769 /nfs/dbraw/zinc/21/97/69/922219769.db2.gz AIUMEHWLXQPSMQ-ZFWWWQNUSA-N 2 2 292.383 0.358 20 0 CCADLP C[N@@H+](CCNC(=O)Cn1cc[nH+]c1)C[C@@H]1C[C@]12CCOC2 ZINC001418526551 922219777 /nfs/dbraw/zinc/21/97/77/922219777.db2.gz AIUMEHWLXQPSMQ-ZFWWWQNUSA-N 2 2 292.383 0.358 20 0 CCADLP C[C@@H]1C[C@H](C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC[NH2+]1 ZINC001340840558 922238694 /nfs/dbraw/zinc/23/86/94/922238694.db2.gz ZXKMNRVQOSRPPD-JHJVBQTASA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1C[C@H](C(=O)NCC[N@H+]2CCO[C@H](C)C2)CC[NH2+]1 ZINC001340840558 922238708 /nfs/dbraw/zinc/23/87/08/922238708.db2.gz ZXKMNRVQOSRPPD-JHJVBQTASA-N 2 2 269.389 0.211 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001418696127 922370441 /nfs/dbraw/zinc/37/04/41/922370441.db2.gz ZIIRQUJUXFVCQV-RYUDHWBXSA-N 2 2 280.372 0.425 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001418696127 922370451 /nfs/dbraw/zinc/37/04/51/922370451.db2.gz ZIIRQUJUXFVCQV-RYUDHWBXSA-N 2 2 280.372 0.425 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[C@@H]1CC[N@@H+](CCCO)C1 ZINC001418898882 922471216 /nfs/dbraw/zinc/47/12/16/922471216.db2.gz SKLNKGZHIBASIC-CQSZACIVSA-N 2 2 294.399 0.484 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[C@@H]1CC[N@H+](CCCO)C1 ZINC001418898882 922471227 /nfs/dbraw/zinc/47/12/27/922471227.db2.gz SKLNKGZHIBASIC-CQSZACIVSA-N 2 2 294.399 0.484 20 0 CCADLP C[NH2+]C1(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CCC1 ZINC001341604651 922577334 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CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CC[NH2+]C1CC1 ZINC001342302388 922902645 /nfs/dbraw/zinc/90/26/45/922902645.db2.gz CVSYHDICKLUQDG-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP CC[C@H](SC)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001342461216 922968207 /nfs/dbraw/zinc/96/82/07/922968207.db2.gz FNRRKYIRYHJASQ-NSHDSACASA-N 2 2 259.419 0.667 20 0 CCADLP CC[C@@H](C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)OC ZINC001419996471 923222325 /nfs/dbraw/zinc/22/23/25/923222325.db2.gz PUMLVXLOFQAWKA-JSGCOSHPSA-N 2 2 294.399 0.815 20 0 CCADLP CC(C)(C(=O)N1CC([NH2+][C@H]2CCOC2)C1)c1c[nH+]c[nH]1 ZINC001420135838 923339134 /nfs/dbraw/zinc/33/91/34/923339134.db2.gz YVBAJZNASXDOSH-JTQLQIEISA-N 2 2 278.356 0.277 20 0 CCADLP [NH3+][C@H]1Cc2ccccc2N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001343685887 923417062 /nfs/dbraw/zinc/41/70/62/923417062.db2.gz JTENZZXFTKOVJL-NSHDSACASA-N 2 2 256.309 0.869 20 0 CCADLP C[C@H](C[NH2+]Cc1cccnc1)NC(=O)CCn1cc[nH+]c1 ZINC001420330560 923552533 /nfs/dbraw/zinc/55/25/33/923552533.db2.gz YXNKMNDNYPQZQT-CYBMUJFWSA-N 2 2 287.367 0.963 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+]Cc1cnsn1 ZINC001420510186 923726824 /nfs/dbraw/zinc/72/68/24/923726824.db2.gz KYUPMIZVRKRHPU-VIFPVBQESA-N 2 2 294.384 0.338 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[C@H]1C[NH3+] ZINC001345012749 923759702 /nfs/dbraw/zinc/75/97/02/923759702.db2.gz SQHXIFAEOOBCKC-WRWGMCAJSA-N 2 2 262.357 0.957 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[C@H]1C[NH3+] ZINC001345012749 923759713 /nfs/dbraw/zinc/75/97/13/923759713.db2.gz SQHXIFAEOOBCKC-WRWGMCAJSA-N 2 2 262.357 0.957 20 0 CCADLP CC(C)OCC[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001420571787 923790520 /nfs/dbraw/zinc/79/05/20/923790520.db2.gz PYQGLGJFBAKKQK-ZDUSSCGKSA-N 2 2 294.399 0.815 20 0 CCADLP CC(C)OCC[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001420571787 923790529 /nfs/dbraw/zinc/79/05/29/923790529.db2.gz PYQGLGJFBAKKQK-ZDUSSCGKSA-N 2 2 294.399 0.815 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001420577573 923796642 /nfs/dbraw/zinc/79/66/42/923796642.db2.gz WWZRHFKKOCXHTQ-AWEZNQCLSA-N 2 2 299.378 0.916 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001420577573 923796654 /nfs/dbraw/zinc/79/66/54/923796654.db2.gz WWZRHFKKOCXHTQ-AWEZNQCLSA-N 2 2 299.378 0.916 20 0 CCADLP C[C@@H](O)CCC[N@H+](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001420673014 923867206 /nfs/dbraw/zinc/86/72/06/923867206.db2.gz YKWHYJOPUJLKAO-CHWSQXEVSA-N 2 2 296.415 0.560 20 0 CCADLP C[C@@H](O)CCC[N@@H+](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001420673014 923867210 /nfs/dbraw/zinc/86/72/10/923867210.db2.gz YKWHYJOPUJLKAO-CHWSQXEVSA-N 2 2 296.415 0.560 20 0 CCADLP C[C@@H](O)C[NH2+][C@H](C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001420757943 923924423 /nfs/dbraw/zinc/92/44/23/923924423.db2.gz DLXCOXQKOOUQJA-VXGBXAGGSA-N 2 2 294.399 0.550 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H](C[NH2+]CC1CC1)C1CC1 ZINC001420779911 923930306 /nfs/dbraw/zinc/93/03/06/923930306.db2.gz GCTHFPWRXOBMPQ-CQSZACIVSA-N 2 2 276.384 0.857 20 0 CCADLP O[C@@H](C[NH2+][C@H]1CCn2cc[nH+]c2C1)Cn1cccn1 ZINC001345635322 923937979 /nfs/dbraw/zinc/93/79/79/923937979.db2.gz MJFQXDHYWCRGSQ-RYUDHWBXSA-N 2 2 261.329 0.045 20 0 CCADLP C[C@H]1C[C@@H]1CNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001346192416 924102983 /nfs/dbraw/zinc/10/29/83/924102983.db2.gz TZSQXYYUUJPLNP-WDEREUQCSA-N 2 2 254.378 0.365 20 0 CCADLP C[C@H](O)C[NH+]1CCC(C)(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001421149723 924178986 /nfs/dbraw/zinc/17/89/86/924178986.db2.gz JTYWNMTXFUNFER-NSHDSACASA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CC1([NH3+])CCC1 ZINC001346582927 924269353 /nfs/dbraw/zinc/26/93/53/924269353.db2.gz NQNSMWRDHOZJPM-LBPRGKRZSA-N 2 2 269.389 0.437 20 0 CCADLP C[NH2+]CCCCC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC001346593985 924271676 /nfs/dbraw/zinc/27/16/76/924271676.db2.gz SUCAMUIMFWDEIC-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP CON(C)C(=O)CC[NH2+][C@H]1CCC[N@@H+](C(C)C)C1 ZINC001353340788 925805789 /nfs/dbraw/zinc/80/57/89/925805789.db2.gz SXJYXEHBZDFHDA-LBPRGKRZSA-N 2 2 257.378 0.859 20 0 CCADLP CON(C)C(=O)CC[NH2+][C@H]1CCC[N@H+](C(C)C)C1 ZINC001353340788 925805797 /nfs/dbraw/zinc/80/57/97/925805797.db2.gz SXJYXEHBZDFHDA-LBPRGKRZSA-N 2 2 257.378 0.859 20 0 CCADLP Cc1cc(C)c(C(=O)NC[C@@H](C)[NH2+]CCO)c(C)[nH+]1 ZINC001480507711 925848304 /nfs/dbraw/zinc/84/83/04/925848304.db2.gz UAUCNHCEMGWJGG-LLVKDONJSA-N 2 2 265.357 0.707 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC001353624209 925886511 /nfs/dbraw/zinc/88/65/11/925886511.db2.gz ZGCCDURGVYOHFR-IJLUTSLNSA-N 2 2 262.357 0.782 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[NH2+]1 ZINC001353634954 925892266 /nfs/dbraw/zinc/89/22/66/925892266.db2.gz VIMJPTGYGUXETD-WRWGMCAJSA-N 2 2 262.357 0.780 20 0 CCADLP C[NH2+]CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001354855091 926174749 /nfs/dbraw/zinc/17/47/49/926174749.db2.gz XQWCVHURPSBEKU-LBPRGKRZSA-N 2 2 264.373 0.902 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CC1(C[NH3+])CC1 ZINC001356607093 926407545 /nfs/dbraw/zinc/40/75/45/926407545.db2.gz MQIXRJNOHLIQRW-LBPRGKRZSA-N 2 2 269.389 0.295 20 0 CCADLP O[C@H](C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)C1(O)CCC1 ZINC001356609956 926409651 /nfs/dbraw/zinc/40/96/51/926409651.db2.gz VOCIXWIEXJDUCW-BFHYXJOUSA-N 2 2 268.401 0.869 20 0 CCADLP O[C@H](C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)C1(O)CCC1 ZINC001356609956 926409657 /nfs/dbraw/zinc/40/96/57/926409657.db2.gz VOCIXWIEXJDUCW-BFHYXJOUSA-N 2 2 268.401 0.869 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NCC1=CC[NH2+]CC1 ZINC001357465119 926538763 /nfs/dbraw/zinc/53/87/63/926538763.db2.gz YMRTUEBNNGNGRR-CQSZACIVSA-N 2 2 296.415 0.316 20 0 CCADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC[C@@H]1CCCO1 ZINC001421510252 926782753 /nfs/dbraw/zinc/78/27/53/926782753.db2.gz SDFFHFNSBITITQ-KGLIPLIRSA-N 2 2 294.399 0.937 20 0 CCADLP C[C@H]([NH2+]CCO)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001421521467 926787643 /nfs/dbraw/zinc/78/76/43/926787643.db2.gz HVXLIHQPHPIFEF-QWHCGFSZSA-N 2 2 280.372 0.092 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@]1(CO)CCC[NH+](CCF)C1 ZINC001421609931 926814773 /nfs/dbraw/zinc/81/47/73/926814773.db2.gz HACUDYSOIWBZIV-AWEZNQCLSA-N 2 2 289.395 0.241 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@]1(CO)CCC[NH+](CCF)C1 ZINC001421609931 926814792 /nfs/dbraw/zinc/81/47/92/926814792.db2.gz HACUDYSOIWBZIV-AWEZNQCLSA-N 2 2 289.395 0.241 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@@]1(CO)CCC[N@H+](CCF)C1 ZINC001421609931 926814804 /nfs/dbraw/zinc/81/48/04/926814804.db2.gz HACUDYSOIWBZIV-AWEZNQCLSA-N 2 2 289.395 0.241 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@@]1(CO)CCC[N@@H+](CCF)C1 ZINC001421609931 926814816 /nfs/dbraw/zinc/81/48/16/926814816.db2.gz HACUDYSOIWBZIV-AWEZNQCLSA-N 2 2 289.395 0.241 20 0 CCADLP CN(CCC[N@H+](C)Cc1cnon1)C(=O)[C@H]1CCC[NH+]1C ZINC001421844559 926939368 /nfs/dbraw/zinc/93/93/68/926939368.db2.gz YEMWHJRHCYRFJT-CYBMUJFWSA-N 2 2 295.387 0.444 20 0 CCADLP CN(CCC[N@@H+](C)Cc1cnon1)C(=O)[C@H]1CCC[NH+]1C ZINC001421844559 926939382 /nfs/dbraw/zinc/93/93/82/926939382.db2.gz YEMWHJRHCYRFJT-CYBMUJFWSA-N 2 2 295.387 0.444 20 0 CCADLP CN(CCC[NH+](C)Cc1cnon1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001421844559 926939397 /nfs/dbraw/zinc/93/93/97/926939397.db2.gz YEMWHJRHCYRFJT-CYBMUJFWSA-N 2 2 295.387 0.444 20 0 CCADLP CN(CCC[NH+](C)Cc1cnon1)C(=O)[C@H]1CCC[N@H+]1C ZINC001421844559 926939410 /nfs/dbraw/zinc/93/94/10/926939410.db2.gz YEMWHJRHCYRFJT-CYBMUJFWSA-N 2 2 295.387 0.444 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnsn1)N(C)C(=O)CCC[NH+](C)C ZINC001421951707 927011837 /nfs/dbraw/zinc/01/18/37/927011837.db2.gz WYYKJHLLMSQBLA-NSHDSACASA-N 2 2 299.444 0.816 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1CCCO ZINC001422121348 927081575 /nfs/dbraw/zinc/08/15/75/927081575.db2.gz MJYUSMFAJVXRCQ-STQMWFEESA-N 2 2 294.399 0.694 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1CCCO ZINC001422121348 927081594 /nfs/dbraw/zinc/08/15/94/927081594.db2.gz MJYUSMFAJVXRCQ-STQMWFEESA-N 2 2 294.399 0.694 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1CCCO ZINC001422121348 927081604 /nfs/dbraw/zinc/08/16/04/927081604.db2.gz MJYUSMFAJVXRCQ-STQMWFEESA-N 2 2 294.399 0.694 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1CCCO ZINC001422121348 927081625 /nfs/dbraw/zinc/08/16/25/927081625.db2.gz MJYUSMFAJVXRCQ-STQMWFEESA-N 2 2 294.399 0.694 20 0 CCADLP CCC(=O)NC1CC[NH+](C[C@H](O)C[N@@H+](C)CC)CC1 ZINC001422256160 927179525 /nfs/dbraw/zinc/17/95/25/927179525.db2.gz YOZAJFRPERRYRA-CYBMUJFWSA-N 2 2 271.405 0.290 20 0 CCADLP CCC(=O)NC1CC[NH+](C[C@H](O)C[N@H+](C)CC)CC1 ZINC001422256160 927179532 /nfs/dbraw/zinc/17/95/32/927179532.db2.gz YOZAJFRPERRYRA-CYBMUJFWSA-N 2 2 271.405 0.290 20 0 CCADLP C[C@H](C[NH2+]Cc1csnn1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001422521063 927347072 /nfs/dbraw/zinc/34/70/72/927347072.db2.gz ZGWMFHCGNPWZDA-ZYHUDNBSSA-N 2 2 297.428 0.617 20 0 CCADLP C[C@H](C[NH2+]Cc1csnn1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001422521063 927347083 /nfs/dbraw/zinc/34/70/83/927347083.db2.gz ZGWMFHCGNPWZDA-ZYHUDNBSSA-N 2 2 297.428 0.617 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CC3(F)F)C2)CC1 ZINC001361819096 927354891 /nfs/dbraw/zinc/35/48/91/927354891.db2.gz IXFNGXAAJUCVIR-JQWIXIFHSA-N 2 2 287.354 0.926 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CC3(F)F)C2)CC1 ZINC001361819096 927354903 /nfs/dbraw/zinc/35/49/03/927354903.db2.gz IXFNGXAAJUCVIR-JQWIXIFHSA-N 2 2 287.354 0.926 20 0 CCADLP C[C@@H](C[NH2+]Cc1cccnc1)NC(=O)Cn1cc[nH+]c1 ZINC001422756127 927490814 /nfs/dbraw/zinc/49/08/14/927490814.db2.gz CKMXKBBOEXXRCZ-LBPRGKRZSA-N 2 2 273.340 0.573 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC1[C@H]2C[N@H+](C/C=C\Cl)C[C@@H]12 ZINC001422819591 927534128 /nfs/dbraw/zinc/53/41/28/927534128.db2.gz GZNKPYOHWNKHEY-UQJHLKAZSA-N 2 2 294.786 0.999 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC1[C@H]2C[N@@H+](C/C=C\Cl)C[C@@H]12 ZINC001422819591 927534135 /nfs/dbraw/zinc/53/41/35/927534135.db2.gz GZNKPYOHWNKHEY-UQJHLKAZSA-N 2 2 294.786 0.999 20 0 CCADLP CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1nonc1C)[NH+](C)C ZINC001423134998 927687517 /nfs/dbraw/zinc/68/75/17/927687517.db2.gz SPTJFQBGKBLGND-MFKMUULPSA-N 2 2 297.403 0.655 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)CN(C)C(=O)C[NH+]2CCCC2)[nH]1 ZINC001423170622 927705963 /nfs/dbraw/zinc/70/59/63/927705963.db2.gz SHECSTMXPNSYCY-LLVKDONJSA-N 2 2 294.403 0.145 20 0 CCADLP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccccn1 ZINC001423192903 927727799 /nfs/dbraw/zinc/72/77/99/927727799.db2.gz YJJZSIPDRNXPLA-ZDUSSCGKSA-N 2 2 287.367 0.915 20 0 CCADLP CC[N@@H+]1CC[C@H]1C(=O)N1CC[NH+](CCC(=O)OC)C[C@@H]1C ZINC001362295708 927841643 /nfs/dbraw/zinc/84/16/43/927841643.db2.gz OXJYKULXEDCLDI-STQMWFEESA-N 2 2 297.399 0.176 20 0 CCADLP CC[N@H+]1CC[C@H]1C(=O)N1CC[NH+](CCC(=O)OC)C[C@@H]1C ZINC001362295708 927841655 /nfs/dbraw/zinc/84/16/55/927841655.db2.gz OXJYKULXEDCLDI-STQMWFEESA-N 2 2 297.399 0.176 20 0 CCADLP CC[NH+]1CC[C@H]1C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC001362295708 927841662 /nfs/dbraw/zinc/84/16/62/927841662.db2.gz OXJYKULXEDCLDI-STQMWFEESA-N 2 2 297.399 0.176 20 0 CCADLP CC[NH+]1CC[C@H]1C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC001362295708 927841674 /nfs/dbraw/zinc/84/16/74/927841674.db2.gz OXJYKULXEDCLDI-STQMWFEESA-N 2 2 297.399 0.176 20 0 CCADLP C[C@@]1(NC(=O)CCCn2cc[nH+]c2)CC[N@H+](CCO)C1 ZINC001423599863 927937266 /nfs/dbraw/zinc/93/72/66/927937266.db2.gz STLIXWQDQHTSLK-CQSZACIVSA-N 2 2 280.372 0.236 20 0 CCADLP C[C@@]1(NC(=O)CCCn2cc[nH+]c2)CC[N@@H+](CCO)C1 ZINC001423599863 927937277 /nfs/dbraw/zinc/93/72/77/927937277.db2.gz STLIXWQDQHTSLK-CQSZACIVSA-N 2 2 280.372 0.236 20 0 CCADLP COC[C@H](C)[N@H+](C)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001425047386 928413465 /nfs/dbraw/zinc/41/34/65/928413465.db2.gz DPGCPJKZDKNZIU-OLZOCXBDSA-N 2 2 296.415 0.824 20 0 CCADLP COC[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001425047386 928413472 /nfs/dbraw/zinc/41/34/72/928413472.db2.gz DPGCPJKZDKNZIU-OLZOCXBDSA-N 2 2 296.415 0.824 20 0 CCADLP COCC[NH+]1CC([C@H](C)NC(=O)Cc2c[nH+]cn2C)C1 ZINC001425266434 928485870 /nfs/dbraw/zinc/48/58/70/928485870.db2.gz IJGYIECSPWPTHT-NSHDSACASA-N 2 2 280.372 0.046 20 0 CCADLP CNC(=O)C[NH2+][C@H](C)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001425639602 928614412 /nfs/dbraw/zinc/61/44/12/928614412.db2.gz LWOOFTDUVUVSFL-VXGBXAGGSA-N 2 2 295.387 0.017 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CC([NH2+]C2CCOCC2)C1 ZINC001362917596 928650646 /nfs/dbraw/zinc/65/06/46/928650646.db2.gz MQXSWHSSSQGYJX-UHFFFAOYSA-N 2 2 278.356 0.322 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CC([NH2+]C2CCOCC2)C1 ZINC001362917596 928650649 /nfs/dbraw/zinc/65/06/49/928650649.db2.gz MQXSWHSSSQGYJX-UHFFFAOYSA-N 2 2 278.356 0.322 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC001362917153 928650698 /nfs/dbraw/zinc/65/06/98/928650698.db2.gz MSSFTKDTUDGLCG-UPJWGTAASA-N 2 2 283.441 0.777 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC001362917153 928650703 /nfs/dbraw/zinc/65/07/03/928650703.db2.gz MSSFTKDTUDGLCG-UPJWGTAASA-N 2 2 283.441 0.777 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001362917153 928650708 /nfs/dbraw/zinc/65/07/08/928650708.db2.gz MSSFTKDTUDGLCG-UPJWGTAASA-N 2 2 283.441 0.777 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001362917153 928650713 /nfs/dbraw/zinc/65/07/13/928650713.db2.gz MSSFTKDTUDGLCG-UPJWGTAASA-N 2 2 283.441 0.777 20 0 CCADLP CC(C)C[C@H](C(=O)NC[C@H](CO)[NH2+]C(C)C)n1cc[nH+]c1 ZINC001425758509 928659739 /nfs/dbraw/zinc/65/97/39/928659739.db2.gz GSKYKGXEIKAWPG-ZIAGYGMSSA-N 2 2 296.415 0.945 20 0 CCADLP COC(=O)C[C@@H](C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC001362932324 928667747 /nfs/dbraw/zinc/66/77/47/928667747.db2.gz HKJFLSGFNULDHG-GFCCVEGCSA-N 2 2 287.404 0.185 20 0 CCADLP COC(=O)C[C@@H](C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC001362932324 928667753 /nfs/dbraw/zinc/66/77/53/928667753.db2.gz HKJFLSGFNULDHG-GFCCVEGCSA-N 2 2 287.404 0.185 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001363802628 929593355 /nfs/dbraw/zinc/59/33/55/929593355.db2.gz AUWRXUDYNHHHTL-ZOWXZIJZSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001363802628 929593365 /nfs/dbraw/zinc/59/33/65/929593365.db2.gz AUWRXUDYNHHHTL-ZOWXZIJZSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001363802628 929593372 /nfs/dbraw/zinc/59/33/72/929593372.db2.gz AUWRXUDYNHHHTL-ZOWXZIJZSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001363802628 929593380 /nfs/dbraw/zinc/59/33/80/929593380.db2.gz AUWRXUDYNHHHTL-ZOWXZIJZSA-N 2 2 276.384 0.998 20 0 CCADLP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1nnc(C)[nH]1 ZINC001443894903 929731597 /nfs/dbraw/zinc/73/15/97/929731597.db2.gz HTYGMPDCAYWSPP-NEPJUHHUSA-N 2 2 294.403 0.192 20 0 CCADLP CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1nnc(C)[nH]1 ZINC001443894903 929731604 /nfs/dbraw/zinc/73/16/04/929731604.db2.gz HTYGMPDCAYWSPP-NEPJUHHUSA-N 2 2 294.403 0.192 20 0 CCADLP CC[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]C[C@H](C)O ZINC001443969469 929755942 /nfs/dbraw/zinc/75/59/42/929755942.db2.gz SKZTVNCSWOYDGT-RYUDHWBXSA-N 2 2 290.367 0.813 20 0 CCADLP C[N@H+](CCNC(=O)Cn1cc[nH+]c1)CC[C@@H]1CCCO1 ZINC001372261182 929786102 /nfs/dbraw/zinc/78/61/02/929786102.db2.gz YAHORCRXEYVDTO-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP C[N@@H+](CCNC(=O)Cn1cc[nH+]c1)CC[C@@H]1CCCO1 ZINC001372261182 929786109 /nfs/dbraw/zinc/78/61/09/929786109.db2.gz YAHORCRXEYVDTO-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP CC[NH2+]C[C@H](C)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001444397127 929862474 /nfs/dbraw/zinc/86/24/74/929862474.db2.gz VSBSWMDCDPGWAN-DZGCQCFKSA-N 2 2 297.443 0.992 20 0 CCADLP CC[NH2+]C[C@H](C)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001444397127 929862482 /nfs/dbraw/zinc/86/24/82/929862482.db2.gz VSBSWMDCDPGWAN-DZGCQCFKSA-N 2 2 297.443 0.992 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](CCCF)CCO1 ZINC001444481629 929881424 /nfs/dbraw/zinc/88/14/24/929881424.db2.gz SWASCLMBAKXPRB-CYBMUJFWSA-N 2 2 298.362 0.368 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](CCCF)CCO1 ZINC001444481629 929881436 /nfs/dbraw/zinc/88/14/36/929881436.db2.gz SWASCLMBAKXPRB-CYBMUJFWSA-N 2 2 298.362 0.368 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnsn1)N(C)C(=O)CC[NH+](C)C ZINC001444665091 929928560 /nfs/dbraw/zinc/92/85/60/929928560.db2.gz LHVHRBITYKGCMT-JTQLQIEISA-N 2 2 285.417 0.426 20 0 CCADLP CN(CC[N@H+](C)CCCO)C(=O)CCc1[nH+]ccn1C ZINC001445014232 930007775 /nfs/dbraw/zinc/00/77/75/930007775.db2.gz NXVLGUDIGCHBPJ-UHFFFAOYSA-N 2 2 282.388 0.125 20 0 CCADLP CN(CC[N@@H+](C)CCCO)C(=O)CCc1[nH+]ccn1C ZINC001445014232 930007781 /nfs/dbraw/zinc/00/77/81/930007781.db2.gz NXVLGUDIGCHBPJ-UHFFFAOYSA-N 2 2 282.388 0.125 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001373241311 930112887 /nfs/dbraw/zinc/11/28/87/930112887.db2.gz QHTXJSCXKXWFTR-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001373241311 930112891 /nfs/dbraw/zinc/11/28/91/930112891.db2.gz QHTXJSCXKXWFTR-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP CCc1nnc([C@H](C)[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C)o1 ZINC001445428621 930131926 /nfs/dbraw/zinc/13/19/26/930131926.db2.gz YSYHVAYLCPTUIG-MNOVXSKESA-N 2 2 297.403 0.739 20 0 CCADLP C[C@H](C[NH2+]Cc1cncs1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001445439456 930134550 /nfs/dbraw/zinc/13/45/50/930134550.db2.gz HBVXKNTXBQFVJJ-SECBINFHSA-N 2 2 279.369 0.703 20 0 CCADLP CCO[C@H](C[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1)C1CC1 ZINC001373415173 930180637 /nfs/dbraw/zinc/18/06/37/930180637.db2.gz CNWZGXNGKAKTGV-LSDHHAIUSA-N 2 2 295.427 0.696 20 0 CCADLP CCO[C@H](C[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1)C1CC1 ZINC001373415173 930180646 /nfs/dbraw/zinc/18/06/46/930180646.db2.gz CNWZGXNGKAKTGV-LSDHHAIUSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H](O)CCC[N@H+](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001445836757 930266775 /nfs/dbraw/zinc/26/67/75/930266775.db2.gz SSWYDHQZBNRSTE-VXGBXAGGSA-N 2 2 282.388 0.550 20 0 CCADLP C[C@@H](O)CCC[N@@H+](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001445836757 930266782 /nfs/dbraw/zinc/26/67/82/930266782.db2.gz SSWYDHQZBNRSTE-VXGBXAGGSA-N 2 2 282.388 0.550 20 0 CCADLP C[C@@H](C[N@H+](C)CCOC1CCC1)NC(=O)Cn1cc[nH+]c1 ZINC001445864414 930275825 /nfs/dbraw/zinc/27/58/25/930275825.db2.gz GXOWLFBNDGHGKD-ZDUSSCGKSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@@H](C[N@@H+](C)CCOC1CCC1)NC(=O)Cn1cc[nH+]c1 ZINC001445864414 930275836 /nfs/dbraw/zinc/27/58/36/930275836.db2.gz GXOWLFBNDGHGKD-ZDUSSCGKSA-N 2 2 294.399 0.889 20 0 CCADLP CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](CC(N)=O)C1)[NH+](CC)CC ZINC001373682530 930297651 /nfs/dbraw/zinc/29/76/51/930297651.db2.gz RXAGVNWQXXZVBH-QWHCGFSZSA-N 2 2 298.431 0.125 20 0 CCADLP CC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](CC(N)=O)C1)[NH+](CC)CC ZINC001373682530 930297658 /nfs/dbraw/zinc/29/76/58/930297658.db2.gz RXAGVNWQXXZVBH-QWHCGFSZSA-N 2 2 298.431 0.125 20 0 CCADLP Cc1cnc(C[NH2+]C[C@@H](C)CNC(=O)Cn2cc[nH+]c2)o1 ZINC001374117632 930427409 /nfs/dbraw/zinc/42/74/09/930427409.db2.gz YCELGPIMTYYLFF-LLVKDONJSA-N 2 2 291.355 0.722 20 0 CCADLP Cc1nnsc1C[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001374984155 930746435 /nfs/dbraw/zinc/74/64/35/930746435.db2.gz SWYCBESQRFMMKA-VIFPVBQESA-N 2 2 294.384 0.338 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccon1 ZINC001447945039 930763321 /nfs/dbraw/zinc/76/33/21/930763321.db2.gz YWMLOHJYIQCTBE-QWRGUYRKSA-N 2 2 291.355 0.863 20 0 CCADLP C[C@@H](O)C[N@H+](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001375165338 930808511 /nfs/dbraw/zinc/80/85/11/930808511.db2.gz PYFKWMIPVKALHN-QWHCGFSZSA-N 2 2 282.388 0.481 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001375165338 930808515 /nfs/dbraw/zinc/80/85/15/930808515.db2.gz PYFKWMIPVKALHN-QWHCGFSZSA-N 2 2 282.388 0.481 20 0 CCADLP C[C@@H](O)C[N@H+](C)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001448141344 930831743 /nfs/dbraw/zinc/83/17/43/930831743.db2.gz POQRMEUJBHLATN-CHWSQXEVSA-N 2 2 282.388 0.481 20 0 CCADLP C[C@@H](O)C[N@@H+](C)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001448141344 930831754 /nfs/dbraw/zinc/83/17/54/930831754.db2.gz POQRMEUJBHLATN-CHWSQXEVSA-N 2 2 282.388 0.481 20 0 CCADLP C[NH+](C)[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CCO)c1ccccc1 ZINC001375373554 930868179 /nfs/dbraw/zinc/86/81/79/930868179.db2.gz BFVOPMADBXHRHG-GJZGRUSLSA-N 2 2 291.395 0.472 20 0 CCADLP C[NH+](C)[C@H](C(=O)NC[C@@H]1CC[N@H+]1CCO)c1ccccc1 ZINC001375373554 930868182 /nfs/dbraw/zinc/86/81/82/930868182.db2.gz BFVOPMADBXHRHG-GJZGRUSLSA-N 2 2 291.395 0.472 20 0 CCADLP Cc1cc(C[NH2+]C2(CNC(=O)C[NH+]3CCCC3)CC2)on1 ZINC001375545229 930912382 /nfs/dbraw/zinc/91/23/82/930912382.db2.gz SLMLNIFJKANMKE-UHFFFAOYSA-N 2 2 292.383 0.817 20 0 CCADLP COC[C@H](C)[NH2+]C[C@H](C1CC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001448601873 930923260 /nfs/dbraw/zinc/92/32/60/930923260.db2.gz JGANQCXWPDASPG-GXTWGEPZSA-N 2 2 294.399 0.745 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001448783397 930979305 /nfs/dbraw/zinc/97/93/05/930979305.db2.gz LSKYRSXKXSTESY-ZYHUDNBSSA-N 2 2 295.387 0.266 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001448783397 930979316 /nfs/dbraw/zinc/97/93/16/930979316.db2.gz LSKYRSXKXSTESY-ZYHUDNBSSA-N 2 2 295.387 0.266 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H](C)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001448781718 930981457 /nfs/dbraw/zinc/98/14/57/930981457.db2.gz ICEPNVLKVGUXHT-QWRGUYRKSA-N 2 2 282.388 0.732 20 0 CCADLP C[C@@H](CC(=O)NC[C@@H]([NH2+]CCO)C1CC1)n1cc[nH+]c1 ZINC001376247336 931104448 /nfs/dbraw/zinc/10/44/48/931104448.db2.gz VVPSZFHZAHPJAT-WCQYABFASA-N 2 2 280.372 0.311 20 0 CCADLP Cc1cc(C[NH2+][C@@H](C)CNC(=O)Cn2cc[nH+]c2C)on1 ZINC001376865320 931307305 /nfs/dbraw/zinc/30/73/05/931307305.db2.gz LJYBNPUEVNIONV-NSHDSACASA-N 2 2 291.355 0.782 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]([N@H+](C)CCCO)C1 ZINC001377003784 931353131 /nfs/dbraw/zinc/35/31/31/931353131.db2.gz ZWMUDDSZDXRAPZ-CYBMUJFWSA-N 2 2 294.399 0.566 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]([N@@H+](C)CCCO)C1 ZINC001377003784 931353138 /nfs/dbraw/zinc/35/31/38/931353138.db2.gz ZWMUDDSZDXRAPZ-CYBMUJFWSA-N 2 2 294.399 0.566 20 0 CCADLP O[C@@]1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CCOC1 ZINC000090850361 349444653 /nfs/dbraw/zinc/44/46/53/349444653.db2.gz BYNULSRGSYQVOA-OAHLLOKOSA-N 2 2 277.368 0.791 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000091136827 349450619 /nfs/dbraw/zinc/45/06/19/349450619.db2.gz MLSQQHXIHDUNCG-JTQLQIEISA-N 2 2 268.386 0.474 20 0 CCADLP CC(C)[NH+]1CCN([C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000091507394 349465453 /nfs/dbraw/zinc/46/54/53/349465453.db2.gz SQUHFSURTNOQCY-AWEZNQCLSA-N 2 2 255.406 0.733 20 0 CCADLP CN(Cc1[nH+]ccn1C)c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000092886325 349508822 /nfs/dbraw/zinc/50/88/22/349508822.db2.gz DBPJGEFEJZQPLA-UHFFFAOYSA-N 2 2 284.327 0.614 20 0 CCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCCn1cc[nH+]c1 ZINC000092956400 349515859 /nfs/dbraw/zinc/51/58/59/349515859.db2.gz AGVAELPCKDSVPY-RYUDHWBXSA-N 2 2 250.346 0.778 20 0 CCADLP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000092950363 349513077 /nfs/dbraw/zinc/51/30/77/349513077.db2.gz IJUWDROGNCYZSP-CHWSQXEVSA-N 2 2 274.368 0.728 20 0 CCADLP COC(=O)[C@@H]1CC[C@H](C(=O)OC)[N@H+](CCn2cc[nH+]c2)C1 ZINC000599587311 361754430 /nfs/dbraw/zinc/75/44/30/361754430.db2.gz GJSWUYXNKGXFKQ-VXGBXAGGSA-N 2 2 295.339 0.310 20 0 CCADLP COC(=O)[C@@H]1CC[C@H](C(=O)OC)[N@@H+](CCn2cc[nH+]c2)C1 ZINC000599587311 361754435 /nfs/dbraw/zinc/75/44/35/361754435.db2.gz GJSWUYXNKGXFKQ-VXGBXAGGSA-N 2 2 295.339 0.310 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)NCC[NH+]1CCC1 ZINC000337631216 214188942 /nfs/dbraw/zinc/18/89/42/214188942.db2.gz YBYLFRPICWCSKH-UHFFFAOYSA-N 2 2 251.334 0.278 20 0 CCADLP CCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CC[N@H+](C)C1 ZINC000617550156 365669470 /nfs/dbraw/zinc/66/94/70/365669470.db2.gz JWQCAZJREBBEHZ-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP CCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CC[N@@H+](C)C1 ZINC000617550156 365669475 /nfs/dbraw/zinc/66/94/75/365669475.db2.gz JWQCAZJREBBEHZ-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP C[NH2+]CC(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000168170633 290638228 /nfs/dbraw/zinc/63/82/28/290638228.db2.gz ULJUEWHIYHTQAU-LBPRGKRZSA-N 2 2 297.424 0.799 20 0 CCADLP C[C@H]1COCCN1CC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000191601875 300344170 /nfs/dbraw/zinc/34/41/70/300344170.db2.gz LDRHFXOPOOTNKO-AWEZNQCLSA-N 2 2 266.389 0.926 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000418712375 529445470 /nfs/dbraw/zinc/44/54/70/529445470.db2.gz NVSHNTYBSTXOCK-QWHCGFSZSA-N 2 2 284.404 0.230 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000418717845 529446888 /nfs/dbraw/zinc/44/68/88/529446888.db2.gz HHBMPHTVJUKSSU-RYUDHWBXSA-N 2 2 272.393 0.134 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000418717845 529446889 /nfs/dbraw/zinc/44/68/89/529446889.db2.gz HHBMPHTVJUKSSU-RYUDHWBXSA-N 2 2 272.393 0.134 20 0 CCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1C)CC2 ZINC000518543113 282181300 /nfs/dbraw/zinc/18/13/00/282181300.db2.gz BRBFXGRSNSIUNZ-DGCLKSJQSA-N 2 2 276.384 0.916 20 0 CCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[N@H+](C)C[C@H]1C)CC2 ZINC000518543113 282181306 /nfs/dbraw/zinc/18/13/06/282181306.db2.gz BRBFXGRSNSIUNZ-DGCLKSJQSA-N 2 2 276.384 0.916 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000492320074 529553228 /nfs/dbraw/zinc/55/32/28/529553228.db2.gz OBUNCGJWHGGSGU-URWSZGRFSA-N 2 2 291.399 0.278 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000492320074 529553233 /nfs/dbraw/zinc/55/32/33/529553233.db2.gz OBUNCGJWHGGSGU-URWSZGRFSA-N 2 2 291.399 0.278 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000492320072 529559422 /nfs/dbraw/zinc/55/94/22/529559422.db2.gz OBUNCGJWHGGSGU-SZZPACECSA-N 2 2 291.399 0.278 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000492320072 529559425 /nfs/dbraw/zinc/55/94/25/529559425.db2.gz OBUNCGJWHGGSGU-SZZPACECSA-N 2 2 291.399 0.278 20 0 CCADLP CN(Cc1cccs1)C(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107575524 349738606 /nfs/dbraw/zinc/73/86/06/349738606.db2.gz JBRSNAXIXIYOOW-VXGBXAGGSA-N 2 2 279.409 0.858 20 0 CCADLP COc1ccccc1CNC(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107576811 349739041 /nfs/dbraw/zinc/73/90/41/349739041.db2.gz VXGAMEJEGNGMMT-ZIAGYGMSSA-N 2 2 289.379 0.463 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000106546030 349731155 /nfs/dbraw/zinc/73/11/55/349731155.db2.gz USIFPGDAUVKEBG-ZIAGYGMSSA-N 2 2 297.447 0.016 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000106546030 349731158 /nfs/dbraw/zinc/73/11/58/349731158.db2.gz USIFPGDAUVKEBG-ZIAGYGMSSA-N 2 2 297.447 0.016 20 0 CCADLP Cc1nn(C)c(C)c1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000112839516 349794080 /nfs/dbraw/zinc/79/40/80/349794080.db2.gz XETJMXFRRHNHEO-ZIAGYGMSSA-N 2 2 278.400 0.990 20 0 CCADLP Cc1nn(C)c(C)c1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000112839516 349794084 /nfs/dbraw/zinc/79/40/84/349794084.db2.gz XETJMXFRRHNHEO-ZIAGYGMSSA-N 2 2 278.400 0.990 20 0 CCADLP COC(=O)c1cc(C[NH2+]CC2([NH3+])CCOCC2)oc1C ZINC000600678481 362032542 /nfs/dbraw/zinc/03/25/42/362032542.db2.gz QPOFWPDRZXFYTP-UHFFFAOYSA-N 2 2 282.340 0.972 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cnc(C(=O)OC)cn2)C1 ZINC000600699775 362036663 /nfs/dbraw/zinc/03/66/63/362036663.db2.gz CZCMEOLWMCLJOK-NSHDSACASA-N 2 2 278.356 0.695 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cnc(C(=O)OC)cn2)C1 ZINC000600699775 362036670 /nfs/dbraw/zinc/03/66/70/362036670.db2.gz CZCMEOLWMCLJOK-NSHDSACASA-N 2 2 278.356 0.695 20 0 CCADLP COCCn1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000357116972 536842171 /nfs/dbraw/zinc/84/21/71/536842171.db2.gz CIVIOOWVJYDGMZ-KGLIPLIRSA-N 2 2 264.373 0.571 20 0 CCADLP COCCn1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000357116972 536842176 /nfs/dbraw/zinc/84/21/76/536842176.db2.gz CIVIOOWVJYDGMZ-KGLIPLIRSA-N 2 2 264.373 0.571 20 0 CCADLP [NH3+][C@H]1C[C@H]2CN(c3[nH+]ccc4ccccc43)CCN2C1=O ZINC000600948658 362096586 /nfs/dbraw/zinc/09/65/86/362096586.db2.gz VEHOLVOUQMUWOX-JSGCOSHPSA-N 2 2 282.347 0.983 20 0 CCADLP CCC(CC)[C@@H](C(=O)N[C@@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000127163274 282224768 /nfs/dbraw/zinc/22/47/68/282224768.db2.gz IWUVTABDJUFGBL-KGLIPLIRSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)[C@H](C)[NH+]1CCOCC1 ZINC000601000438 362124001 /nfs/dbraw/zinc/12/40/01/362124001.db2.gz BPXZFFQRDJQURV-MELADBBJSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)[C@H](C)[NH+]1CCOCC1 ZINC000601000438 362124004 /nfs/dbraw/zinc/12/40/04/362124004.db2.gz BPXZFFQRDJQURV-MELADBBJSA-N 2 2 283.416 0.696 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000601047850 362142071 /nfs/dbraw/zinc/14/20/71/362142071.db2.gz LPFNCQSMEZVXBV-LSDHHAIUSA-N 2 2 295.427 0.651 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000601047850 362142073 /nfs/dbraw/zinc/14/20/73/362142073.db2.gz LPFNCQSMEZVXBV-LSDHHAIUSA-N 2 2 295.427 0.651 20 0 CCADLP CSC1(CNc2nc(C)[nH+]c(N)n2)CC[NH+](C)CC1 ZINC000601166977 362164701 /nfs/dbraw/zinc/16/47/01/362164701.db2.gz XKRDTGSXILOANH-UHFFFAOYSA-N 2 2 282.417 0.254 20 0 CCADLP CSC1(CNc2nc(N)nc(C)[nH+]2)CC[NH+](C)CC1 ZINC000601166977 362164708 /nfs/dbraw/zinc/16/47/08/362164708.db2.gz XKRDTGSXILOANH-UHFFFAOYSA-N 2 2 282.417 0.254 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)NC(=O)NC1CC1 ZINC000601335336 362231704 /nfs/dbraw/zinc/23/17/04/362231704.db2.gz SLQRHQPMJUPDPY-PWSUYJOCSA-N 2 2 280.372 0.049 20 0 CCADLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)NC(=O)NC1CC1 ZINC000601335336 362231712 /nfs/dbraw/zinc/23/17/12/362231712.db2.gz SLQRHQPMJUPDPY-PWSUYJOCSA-N 2 2 280.372 0.049 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NCC[NH+]1C[C@H](C)OC[C@H]1C ZINC000617735552 365746260 /nfs/dbraw/zinc/74/62/60/365746260.db2.gz QZONOASVRJXXTM-OLZOCXBDSA-N 2 2 271.405 0.552 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NCC[NH+]1C[C@H](C)OC[C@H]1C ZINC000617735552 365746264 /nfs/dbraw/zinc/74/62/64/365746264.db2.gz QZONOASVRJXXTM-OLZOCXBDSA-N 2 2 271.405 0.552 20 0 CCADLP CC(C)[NH+](C)CC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000617735552 365746269 /nfs/dbraw/zinc/74/62/69/365746269.db2.gz QZONOASVRJXXTM-OLZOCXBDSA-N 2 2 271.405 0.552 20 0 CCADLP CC(C)[NH+](C)CC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000617735552 365746275 /nfs/dbraw/zinc/74/62/75/365746275.db2.gz QZONOASVRJXXTM-OLZOCXBDSA-N 2 2 271.405 0.552 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH+]1C[C@@H](C)OC[C@@H]1C ZINC000617734064 365746853 /nfs/dbraw/zinc/74/68/53/365746853.db2.gz ZQONHSCOKKMIHY-QWHCGFSZSA-N 2 2 271.405 0.554 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH+]1C[C@@H](C)OC[C@@H]1C ZINC000617734064 365746857 /nfs/dbraw/zinc/74/68/57/365746857.db2.gz ZQONHSCOKKMIHY-QWHCGFSZSA-N 2 2 271.405 0.554 20 0 CCADLP CCC[NH+](C)CC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617734064 365746861 /nfs/dbraw/zinc/74/68/61/365746861.db2.gz ZQONHSCOKKMIHY-QWHCGFSZSA-N 2 2 271.405 0.554 20 0 CCADLP CCC[NH+](C)CC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617734064 365746866 /nfs/dbraw/zinc/74/68/66/365746866.db2.gz ZQONHSCOKKMIHY-QWHCGFSZSA-N 2 2 271.405 0.554 20 0 CCADLP C[C@H](CF)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000288398306 136397663 /nfs/dbraw/zinc/39/76/63/136397663.db2.gz HTECFLCAJPVZOA-LLVKDONJSA-N 2 2 267.352 0.676 20 0 CCADLP COCCC1(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000162190596 231721004 /nfs/dbraw/zinc/72/10/04/231721004.db2.gz QXBFPMLIVVOJHN-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C[NH+](C)C ZINC000134669569 136391618 /nfs/dbraw/zinc/39/16/18/136391618.db2.gz IAPDBTXPDSGWIP-UHFFFAOYSA-N 2 2 278.356 0.727 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113515440 349815089 /nfs/dbraw/zinc/81/50/89/349815089.db2.gz BYOIEBCUOCYZQX-LLVKDONJSA-N 2 2 270.377 0.106 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113515440 349815090 /nfs/dbraw/zinc/81/50/90/349815090.db2.gz BYOIEBCUOCYZQX-LLVKDONJSA-N 2 2 270.377 0.106 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113516297 349815112 /nfs/dbraw/zinc/81/51/12/349815112.db2.gz CAGRRDIRFAXPDY-LBPRGKRZSA-N 2 2 284.404 0.496 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113516297 349815114 /nfs/dbraw/zinc/81/51/14/349815114.db2.gz CAGRRDIRFAXPDY-LBPRGKRZSA-N 2 2 284.404 0.496 20 0 CCADLP Cc1nccnc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617763752 365765922 /nfs/dbraw/zinc/76/59/22/365765922.db2.gz ZZFYDCIYSUNWIK-UHFFFAOYSA-N 2 2 279.388 0.398 20 0 CCADLP Cc1nccnc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617763752 365765927 /nfs/dbraw/zinc/76/59/27/365765927.db2.gz ZZFYDCIYSUNWIK-UHFFFAOYSA-N 2 2 279.388 0.398 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CC(C)(C)O ZINC000617764429 365768968 /nfs/dbraw/zinc/76/89/68/365768968.db2.gz XDCJOVQBURAMGL-UHFFFAOYSA-N 2 2 259.394 0.147 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CC(C)(C)O ZINC000617764429 365768973 /nfs/dbraw/zinc/76/89/73/365768973.db2.gz XDCJOVQBURAMGL-UHFFFAOYSA-N 2 2 259.394 0.147 20 0 CCADLP C[C@H]1COCC[C@@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764841 365769297 /nfs/dbraw/zinc/76/92/97/365769297.db2.gz IXVWRVHMDBAZFF-KBPBESRZSA-N 2 2 285.432 0.659 20 0 CCADLP C[C@H]1COCC[C@@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764841 365769304 /nfs/dbraw/zinc/76/93/04/365769304.db2.gz IXVWRVHMDBAZFF-KBPBESRZSA-N 2 2 285.432 0.659 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)CCC[NH+](C)C ZINC000617767533 365773520 /nfs/dbraw/zinc/77/35/20/365773520.db2.gz ZAEXCTBDFUKEDH-HNNXBMFYSA-N 3 2 298.475 0.861 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)CCC[NH+](C)C ZINC000617767533 365773528 /nfs/dbraw/zinc/77/35/28/365773528.db2.gz ZAEXCTBDFUKEDH-HNNXBMFYSA-N 3 2 298.475 0.861 20 0 CCADLP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767533 365773533 /nfs/dbraw/zinc/77/35/33/365773533.db2.gz ZAEXCTBDFUKEDH-HNNXBMFYSA-N 3 2 298.475 0.861 20 0 CCADLP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767533 365773536 /nfs/dbraw/zinc/77/35/36/365773536.db2.gz ZAEXCTBDFUKEDH-HNNXBMFYSA-N 3 2 298.475 0.861 20 0 CCADLP Cn1cc(CCC(=O)NCC[N@H+](C)CCC[NH+](C)C)cn1 ZINC000617767104 365774064 /nfs/dbraw/zinc/77/40/64/365774064.db2.gz HDEYEIMNGYAEAE-UHFFFAOYSA-N 2 2 295.431 0.352 20 0 CCADLP Cn1cc(CCC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000617767104 365774067 /nfs/dbraw/zinc/77/40/67/365774067.db2.gz HDEYEIMNGYAEAE-UHFFFAOYSA-N 2 2 295.431 0.352 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)CCC[NH+](C)C ZINC000617767534 365774211 /nfs/dbraw/zinc/77/42/11/365774211.db2.gz ZAEXCTBDFUKEDH-OAHLLOKOSA-N 3 2 298.475 0.861 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)CCC[NH+](C)C ZINC000617767534 365774215 /nfs/dbraw/zinc/77/42/15/365774215.db2.gz ZAEXCTBDFUKEDH-OAHLLOKOSA-N 3 2 298.475 0.861 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767534 365774221 /nfs/dbraw/zinc/77/42/21/365774221.db2.gz ZAEXCTBDFUKEDH-OAHLLOKOSA-N 3 2 298.475 0.861 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767534 365774224 /nfs/dbraw/zinc/77/42/24/365774224.db2.gz ZAEXCTBDFUKEDH-OAHLLOKOSA-N 3 2 298.475 0.861 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114199427 349824144 /nfs/dbraw/zinc/82/41/44/349824144.db2.gz QBLGAEHCWTZGNU-QWHCGFSZSA-N 2 2 298.431 0.740 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114199427 349824146 /nfs/dbraw/zinc/82/41/46/349824146.db2.gz QBLGAEHCWTZGNU-QWHCGFSZSA-N 2 2 298.431 0.740 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114723059 349838103 /nfs/dbraw/zinc/83/81/03/349838103.db2.gz YOKRQTFPWVVINA-MGPQQGTHSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114723059 349838107 /nfs/dbraw/zinc/83/81/07/349838107.db2.gz YOKRQTFPWVVINA-MGPQQGTHSA-N 2 2 283.416 0.554 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCC[C@H](C(N)=O)C2)n1C ZINC000425358478 529810760 /nfs/dbraw/zinc/81/07/60/529810760.db2.gz QYAQDXDTUPRHFS-QWRGUYRKSA-N 2 2 279.388 0.620 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H](CO)CC(F)F)n1C ZINC000425338499 529810831 /nfs/dbraw/zinc/81/08/31/529810831.db2.gz PLUFFWVTPOAQHQ-MRVPVSSYSA-N 2 2 262.304 0.592 20 0 CCADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)CCC[NH3+])C1 ZINC000423924817 529815088 /nfs/dbraw/zinc/81/50/88/529815088.db2.gz FASRYQOIKUAUCZ-GFCCVEGCSA-N 2 2 292.383 0.866 20 0 CCADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCOCC3)[C@@H]2C1 ZINC000425065616 529821791 /nfs/dbraw/zinc/82/17/91/529821791.db2.gz LVUNYYAMHIQRIF-UONOGXRCSA-N 2 2 295.427 0.650 20 0 CCADLP C[N@H+]1C[C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCOCC3)[C@@H]2C1 ZINC000425065616 529821792 /nfs/dbraw/zinc/82/17/92/529821792.db2.gz LVUNYYAMHIQRIF-UONOGXRCSA-N 2 2 295.427 0.650 20 0 CCADLP CCC[N@@H+]1CC[C@H](CNC(=O)NCc2[nH+]ccn2C)C1 ZINC000264058628 534954660 /nfs/dbraw/zinc/95/46/60/534954660.db2.gz GHCREWTXNTVWMR-GFCCVEGCSA-N 2 2 279.388 0.951 20 0 CCADLP CCC[N@H+]1CC[C@H](CNC(=O)NCc2[nH+]ccn2C)C1 ZINC000264058628 534954665 /nfs/dbraw/zinc/95/46/65/534954665.db2.gz GHCREWTXNTVWMR-GFCCVEGCSA-N 2 2 279.388 0.951 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418750431 529910918 /nfs/dbraw/zinc/91/09/18/529910918.db2.gz OKFWJPGUMMZREG-CQSZACIVSA-N 2 2 298.431 0.492 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841732 349909396 /nfs/dbraw/zinc/90/93/96/349909396.db2.gz NNFURRNMMDTKEP-LLVKDONJSA-N 2 2 270.377 0.106 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841732 349909401 /nfs/dbraw/zinc/90/94/01/349909401.db2.gz NNFURRNMMDTKEP-LLVKDONJSA-N 2 2 270.377 0.106 20 0 CCADLP CCNC(=O)NC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841732 349909403 /nfs/dbraw/zinc/90/94/03/349909403.db2.gz NNFURRNMMDTKEP-LLVKDONJSA-N 2 2 270.377 0.106 20 0 CCADLP CCNC(=O)NC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841732 349909407 /nfs/dbraw/zinc/90/94/07/349909407.db2.gz NNFURRNMMDTKEP-LLVKDONJSA-N 2 2 270.377 0.106 20 0 CCADLP CC(C)[NH2+]C1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000118961416 349911643 /nfs/dbraw/zinc/91/16/43/349911643.db2.gz LCWLOPRXWVGDKE-HNNXBMFYSA-N 2 2 285.432 0.142 20 0 CCADLP CC(C)[NH2+]C1CC[NH+](C[C@H](O)CN2CCOCC2)CC1 ZINC000118961416 349911647 /nfs/dbraw/zinc/91/16/47/349911647.db2.gz LCWLOPRXWVGDKE-HNNXBMFYSA-N 2 2 285.432 0.142 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000418217010 529996410 /nfs/dbraw/zinc/99/64/10/529996410.db2.gz OXASTQGRJSSTMG-WCQYABFASA-N 2 2 284.404 0.004 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000418217010 529996411 /nfs/dbraw/zinc/99/64/11/529996411.db2.gz OXASTQGRJSSTMG-WCQYABFASA-N 2 2 284.404 0.004 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(C)(C)O)CC2)CC1 ZINC000427464702 530050015 /nfs/dbraw/zinc/05/00/15/530050015.db2.gz FFNBPTUKRZZMDU-UHFFFAOYSA-N 2 2 283.416 0.432 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000367537201 530052875 /nfs/dbraw/zinc/05/28/75/530052875.db2.gz DBSGMGLHTRVGDT-MELADBBJSA-N 2 2 286.441 0.980 20 0 CCADLP C[N@H+]1CCCC[C@H]1CC[NH+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000367537201 530052876 /nfs/dbraw/zinc/05/28/76/530052876.db2.gz DBSGMGLHTRVGDT-MELADBBJSA-N 2 2 286.441 0.980 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000367537201 530052877 /nfs/dbraw/zinc/05/28/77/530052877.db2.gz DBSGMGLHTRVGDT-MELADBBJSA-N 2 2 286.441 0.980 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000367537201 530052878 /nfs/dbraw/zinc/05/28/78/530052878.db2.gz DBSGMGLHTRVGDT-MELADBBJSA-N 2 2 286.441 0.980 20 0 CCADLP Cc1ccc2ncc(C[NH2+]C[C@]3(O)CC[N@@H+](C)C3)n2c1 ZINC000358179403 232058317 /nfs/dbraw/zinc/05/83/17/232058317.db2.gz ZWBGMBPWPUBFCX-OAHLLOKOSA-N 2 2 274.368 0.799 20 0 CCADLP Cc1ccc2ncc(C[NH2+]C[C@]3(O)CC[N@H+](C)C3)n2c1 ZINC000358179403 232058320 /nfs/dbraw/zinc/05/83/20/232058320.db2.gz ZWBGMBPWPUBFCX-OAHLLOKOSA-N 2 2 274.368 0.799 20 0 CCADLP COCC[NH+]1CCC([NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)CC1 ZINC000358209383 232064117 /nfs/dbraw/zinc/06/41/17/232064117.db2.gz WTDOEOYPBLSDSG-NWANDNLSSA-N 2 2 295.427 0.696 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655243728 412518203 /nfs/dbraw/zinc/51/82/03/412518203.db2.gz IILCUTGMZPOIGZ-MCIONIFRSA-N 2 2 285.432 0.942 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655243728 412518207 /nfs/dbraw/zinc/51/82/07/412518207.db2.gz IILCUTGMZPOIGZ-MCIONIFRSA-N 2 2 285.432 0.942 20 0 CCADLP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655243728 412518209 /nfs/dbraw/zinc/51/82/09/412518209.db2.gz IILCUTGMZPOIGZ-MCIONIFRSA-N 2 2 285.432 0.942 20 0 CCADLP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655243728 412518211 /nfs/dbraw/zinc/51/82/11/412518211.db2.gz IILCUTGMZPOIGZ-MCIONIFRSA-N 2 2 285.432 0.942 20 0 CCADLP COC[C@H](C)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000358297872 232077327 /nfs/dbraw/zinc/07/73/27/232077327.db2.gz KNDFAFJJEAEWGT-AWEZNQCLSA-N 2 2 285.432 0.408 20 0 CCADLP COC[C@H](C)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000358297872 232077331 /nfs/dbraw/zinc/07/73/31/232077331.db2.gz KNDFAFJJEAEWGT-AWEZNQCLSA-N 2 2 285.432 0.408 20 0 CCADLP CN(CC(F)(F)F)C(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000342131074 282374058 /nfs/dbraw/zinc/37/40/58/282374058.db2.gz DDBXCWLCGCELSS-UHFFFAOYSA-N 2 2 253.268 0.478 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C[C@@H]3CCCO3)C2)CC1 ZINC000602200176 362555084 /nfs/dbraw/zinc/55/50/84/362555084.db2.gz GKDSNRBYWQRTNN-ZFWWWQNUSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C[C@@H]3CCCO3)C2)CC1 ZINC000602200176 362555088 /nfs/dbraw/zinc/55/50/88/362555088.db2.gz GKDSNRBYWQRTNN-ZFWWWQNUSA-N 2 2 295.427 0.840 20 0 CCADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCC[NH+](C)C1 ZINC000338306627 282397597 /nfs/dbraw/zinc/39/75/97/282397597.db2.gz NJUIZMNPOIYONX-OAHLLOKOSA-N 3 2 296.459 0.424 20 0 CCADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCC[NH+](C)C1 ZINC000338306627 282397601 /nfs/dbraw/zinc/39/76/01/282397601.db2.gz NJUIZMNPOIYONX-OAHLLOKOSA-N 3 2 296.459 0.424 20 0 CCADLP C[NH+](CCC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000338306627 282397606 /nfs/dbraw/zinc/39/76/06/282397606.db2.gz NJUIZMNPOIYONX-OAHLLOKOSA-N 3 2 296.459 0.424 20 0 CCADLP C[NH+](CCC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000338306627 282397612 /nfs/dbraw/zinc/39/76/12/282397612.db2.gz NJUIZMNPOIYONX-OAHLLOKOSA-N 3 2 296.459 0.424 20 0 CCADLP COC(=O)c1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)n1C ZINC000602494892 362643427 /nfs/dbraw/zinc/64/34/27/362643427.db2.gz QNZUHWKVUMYQJT-QWRGUYRKSA-N 2 2 263.341 0.463 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000602515362 362652002 /nfs/dbraw/zinc/65/20/02/362652002.db2.gz WSWNHDNBJUMHQP-NEPJUHHUSA-N 2 2 285.388 0.080 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000602515362 362652006 /nfs/dbraw/zinc/65/20/06/362652006.db2.gz WSWNHDNBJUMHQP-NEPJUHHUSA-N 2 2 285.388 0.080 20 0 CCADLP [NH2+]=C(NCc1ccc(-n2cc[nH+]c2)nc1)N1CCOCC1 ZINC000361810920 232245134 /nfs/dbraw/zinc/24/51/34/232245134.db2.gz GRIHYXPKQFFPEN-UHFFFAOYSA-N 2 2 286.339 0.624 20 0 CCADLP C[C@@H](c1ccccn1)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000127564486 187316034 /nfs/dbraw/zinc/31/60/34/187316034.db2.gz AMVWXTIJCHUGAW-ZDUSSCGKSA-N 2 2 276.384 0.848 20 0 CCADLP C[C@@H](C[N@H+](C)CCCn1cc[nH+]c1)CS(C)(=O)=O ZINC000119745408 349951085 /nfs/dbraw/zinc/95/10/85/349951085.db2.gz KFWBFEDKRRHHIV-LBPRGKRZSA-N 2 2 273.402 0.886 20 0 CCADLP C[C@@H](C[N@@H+](C)CCCn1cc[nH+]c1)CS(C)(=O)=O ZINC000119745408 349951088 /nfs/dbraw/zinc/95/10/88/349951088.db2.gz KFWBFEDKRRHHIV-LBPRGKRZSA-N 2 2 273.402 0.886 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000119927587 349961663 /nfs/dbraw/zinc/96/16/63/349961663.db2.gz HKCRAEUYJQLQNF-HNNXBMFYSA-N 2 2 283.416 0.557 20 0 CCADLP CCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](CC)C1 ZINC000617924636 365836129 /nfs/dbraw/zinc/83/61/29/365836129.db2.gz YYXJJFFGQOHWEF-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP CCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](CC)C1 ZINC000617924636 365836134 /nfs/dbraw/zinc/83/61/34/365836134.db2.gz YYXJJFFGQOHWEF-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP Cn1ncc2c1nc[nH+]c2NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252668330 137004018 /nfs/dbraw/zinc/00/40/18/137004018.db2.gz USACENIAPXADQX-QWRGUYRKSA-N 2 2 288.355 0.638 20 0 CCADLP Cn1ncc2c1nc[nH+]c2NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252668330 137004019 /nfs/dbraw/zinc/00/40/19/137004019.db2.gz USACENIAPXADQX-QWRGUYRKSA-N 2 2 288.355 0.638 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCCCCC1 ZINC000261573049 137009119 /nfs/dbraw/zinc/00/91/19/137009119.db2.gz AOZGOQJKLHAADS-ZIAGYGMSSA-N 2 2 265.401 0.930 20 0 CCADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCCCCC1 ZINC000261573049 137009120 /nfs/dbraw/zinc/00/91/20/137009120.db2.gz AOZGOQJKLHAADS-ZIAGYGMSSA-N 2 2 265.401 0.930 20 0 CCADLP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261574199 137009358 /nfs/dbraw/zinc/00/93/58/137009358.db2.gz MNPHGIVTGYVSKD-RYUDHWBXSA-N 2 2 253.390 0.833 20 0 CCADLP CCC(C)(C)NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261574199 137009359 /nfs/dbraw/zinc/00/93/59/137009359.db2.gz MNPHGIVTGYVSKD-RYUDHWBXSA-N 2 2 253.390 0.833 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)on1 ZINC000261576489 137009857 /nfs/dbraw/zinc/00/98/57/137009857.db2.gz CEMMTNLFBLQYRN-GARJFASQSA-N 2 2 264.329 0.591 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)on1 ZINC000261576489 137009858 /nfs/dbraw/zinc/00/98/58/137009858.db2.gz CEMMTNLFBLQYRN-GARJFASQSA-N 2 2 264.329 0.591 20 0 CCADLP CC1CCN(C(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000261579816 137010124 /nfs/dbraw/zinc/01/01/24/137010124.db2.gz FAUOUHMREGTOMX-KBPBESRZSA-N 2 2 265.401 0.786 20 0 CCADLP CC1CCN(C(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000261579816 137010125 /nfs/dbraw/zinc/01/01/25/137010125.db2.gz FAUOUHMREGTOMX-KBPBESRZSA-N 2 2 265.401 0.786 20 0 CCADLP COc1c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c(C)nn1C ZINC000261581461 137010198 /nfs/dbraw/zinc/01/01/98/137010198.db2.gz GBQKCTMSBVRHCT-DGCLKSJQSA-N 2 2 264.373 0.921 20 0 CCADLP COc1c(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c(C)nn1C ZINC000261581461 137010199 /nfs/dbraw/zinc/01/01/99/137010199.db2.gz GBQKCTMSBVRHCT-DGCLKSJQSA-N 2 2 264.373 0.921 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)C[C@H](C)O1 ZINC000261589838 137010764 /nfs/dbraw/zinc/01/07/64/137010764.db2.gz LALIZWKJHDOPTO-MBNYWOFBSA-N 2 2 269.389 0.293 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@](C)(C[NH3+])C2)C[C@H](C)O1 ZINC000261589838 137010765 /nfs/dbraw/zinc/01/07/65/137010765.db2.gz LALIZWKJHDOPTO-MBNYWOFBSA-N 2 2 269.389 0.293 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@](C)(C[NH3+])C2)C[C@@H](C)O1 ZINC000261589836 137011078 /nfs/dbraw/zinc/01/10/78/137011078.db2.gz LALIZWKJHDOPTO-BZPMIXESSA-N 2 2 269.389 0.293 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@](C)(C[NH3+])C2)C[C@@H](C)O1 ZINC000261589836 137011079 /nfs/dbraw/zinc/01/10/79/137011079.db2.gz LALIZWKJHDOPTO-BZPMIXESSA-N 2 2 269.389 0.293 20 0 CCADLP NC(=O)c1cccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000261636248 137013252 /nfs/dbraw/zinc/01/32/52/137013252.db2.gz IEIVXSQPDOSAKJ-OAHLLOKOSA-N 2 2 288.395 0.265 20 0 CCADLP FC(F)(F)COCC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261662852 137014850 /nfs/dbraw/zinc/01/48/50/137014850.db2.gz ZFTRDJMJUPPBQU-LLVKDONJSA-N 2 2 281.322 0.545 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000618195020 365925605 /nfs/dbraw/zinc/92/56/05/365925605.db2.gz RUGVHWPHHTYXSL-UHFFFAOYSA-N 2 2 286.339 0.296 20 0 CCADLP O=C(C[C@@H]1COCC[NH2+]1)NCc1cn2c([nH+]1)CCCC2 ZINC000262481876 137044704 /nfs/dbraw/zinc/04/47/04/137044704.db2.gz ZQEIXYPRVHHCDO-LLVKDONJSA-N 2 2 278.356 0.214 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000262690852 137050781 /nfs/dbraw/zinc/05/07/81/137050781.db2.gz AIWCUJMROARELE-AWEZNQCLSA-N 2 2 271.405 0.731 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000262690852 137050782 /nfs/dbraw/zinc/05/07/82/137050782.db2.gz AIWCUJMROARELE-AWEZNQCLSA-N 2 2 271.405 0.731 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+])[NH+]1CCN(C)CC1 ZINC000263084642 137058145 /nfs/dbraw/zinc/05/81/45/137058145.db2.gz XVQMSILCQOHBTP-IIAWOOMASA-N 2 2 296.459 0.646 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NCc1ccccc1F ZINC000261685033 137015738 /nfs/dbraw/zinc/01/57/38/137015738.db2.gz MVEQQVVDYXMQMD-OCCSQVGLSA-N 2 2 291.370 0.983 20 0 CCADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NCc1ccccc1F ZINC000261685033 137015739 /nfs/dbraw/zinc/01/57/39/137015739.db2.gz MVEQQVVDYXMQMD-OCCSQVGLSA-N 2 2 291.370 0.983 20 0 CCADLP COc1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1O ZINC000261741860 137017591 /nfs/dbraw/zinc/01/75/91/137017591.db2.gz SGTVNOJTARGRJE-AWEZNQCLSA-N 2 2 291.395 0.880 20 0 CCADLP CC(C)[C@@H](C)NC(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261769705 137019187 /nfs/dbraw/zinc/01/91/87/137019187.db2.gz OPEMMVOJCOASMU-KGLIPLIRSA-N 2 2 282.432 0.127 20 0 CCADLP Cc1cc(N2CC[C@H]([N@@H+]3CC[C@](C)(C[NH3+])C3)C2=O)n(C)n1 ZINC000261768027 137019189 /nfs/dbraw/zinc/01/91/89/137019189.db2.gz MDIQNFZMYHTJKO-SWLSCSKDSA-N 2 2 291.399 0.505 20 0 CCADLP Cc1cc(N2CC[C@H]([N@H+]3CC[C@](C)(C[NH3+])C3)C2=O)n(C)n1 ZINC000261768027 137019190 /nfs/dbraw/zinc/01/91/90/137019190.db2.gz MDIQNFZMYHTJKO-SWLSCSKDSA-N 2 2 291.399 0.505 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000618191730 365923019 /nfs/dbraw/zinc/92/30/19/365923019.db2.gz PXAHDYYCLAOCIC-UHFFFAOYSA-N 2 2 281.400 0.261 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000261979127 137026955 /nfs/dbraw/zinc/02/69/55/137026955.db2.gz VYJXONFAQRPYJL-QWHCGFSZSA-N 2 2 281.400 0.213 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000261979127 137026956 /nfs/dbraw/zinc/02/69/56/137026956.db2.gz VYJXONFAQRPYJL-QWHCGFSZSA-N 2 2 281.400 0.213 20 0 CCADLP COC[C@H]([NH3+])C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000262261849 137033664 /nfs/dbraw/zinc/03/36/64/137033664.db2.gz JMSPMHJOCBNJRX-LBPRGKRZSA-N 2 2 289.339 0.166 20 0 CCADLP C[C@@H](C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)C1C[NH2+]C1 ZINC000262302679 137036345 /nfs/dbraw/zinc/03/63/45/137036345.db2.gz BRXDHUFOWXNJHZ-WOPDTQHZSA-N 2 2 269.389 0.067 20 0 CCADLP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263267195 137062334 /nfs/dbraw/zinc/06/23/34/137062334.db2.gz RSUIMFFKUGYURG-VHSXEESVSA-N 2 2 261.316 0.536 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)[N@H+](C)C1CC1 ZINC000263303522 137063306 /nfs/dbraw/zinc/06/33/06/137063306.db2.gz XMFKAFARSRWXQQ-WPRPVWTQSA-N 2 2 261.316 0.583 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)[N@@H+](C)C1CC1 ZINC000263303522 137063307 /nfs/dbraw/zinc/06/33/07/137063307.db2.gz XMFKAFARSRWXQQ-WPRPVWTQSA-N 2 2 261.316 0.583 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000269978469 137069232 /nfs/dbraw/zinc/06/92/32/137069232.db2.gz WGUIYQAKNARLOS-STQMWFEESA-N 2 2 274.368 0.871 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000269978469 137069233 /nfs/dbraw/zinc/06/92/33/137069233.db2.gz WGUIYQAKNARLOS-STQMWFEESA-N 2 2 274.368 0.871 20 0 CCADLP [NH3+]CCN(CCO)Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000342407040 137092020 /nfs/dbraw/zinc/09/20/20/137092020.db2.gz APUMYUOOMQYKKS-UHFFFAOYSA-N 2 2 268.748 0.741 20 0 CCADLP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000343487347 137138478 /nfs/dbraw/zinc/13/84/78/137138478.db2.gz CIHQVRTZQNTRDP-ZNMIVQPWSA-N 3 2 268.449 0.552 20 0 CCADLP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000343487347 137138479 /nfs/dbraw/zinc/13/84/79/137138479.db2.gz CIHQVRTZQNTRDP-ZNMIVQPWSA-N 3 2 268.449 0.552 20 0 CCADLP C[C@@H]1C[NH+](C)CCN1CCOCCN1CC[N@@H+](C)C[C@H]1C ZINC000343699167 137150335 /nfs/dbraw/zinc/15/03/35/137150335.db2.gz BFGVVZMBXFBVCX-HZPDHXFCSA-N 2 2 298.475 0.275 20 0 CCADLP C[C@@H]1C[NH+](C)CCN1CCOCCN1CC[N@H+](C)C[C@H]1C ZINC000343699167 137150336 /nfs/dbraw/zinc/15/03/36/137150336.db2.gz BFGVVZMBXFBVCX-HZPDHXFCSA-N 2 2 298.475 0.275 20 0 CCADLP C[C@@H]1C[N@H+](C)CCN1CCOCC[NH+]1CCN(C)C[C@H]1C ZINC000343699167 137150339 /nfs/dbraw/zinc/15/03/39/137150339.db2.gz BFGVVZMBXFBVCX-HZPDHXFCSA-N 2 2 298.475 0.275 20 0 CCADLP C[C@@H]1C[N@@H+](C)CCN1CCOCC[NH+]1CCN(C)C[C@H]1C ZINC000343699167 137150340 /nfs/dbraw/zinc/15/03/40/137150340.db2.gz BFGVVZMBXFBVCX-HZPDHXFCSA-N 2 2 298.475 0.275 20 0 CCADLP C[C@@H]1C[NH+](C)CCN1CCOCC[N@@H+]1CCN(C)C[C@H]1C ZINC000343699167 137150341 /nfs/dbraw/zinc/15/03/41/137150341.db2.gz BFGVVZMBXFBVCX-HZPDHXFCSA-N 2 2 298.475 0.275 20 0 CCADLP C[C@@H]1C[NH+](C)CCN1CCOCC[N@H+]1CCN(C)C[C@H]1C ZINC000343699167 137150342 /nfs/dbraw/zinc/15/03/42/137150342.db2.gz BFGVVZMBXFBVCX-HZPDHXFCSA-N 2 2 298.475 0.275 20 0 CCADLP C[NH+](CCOCC[N@@H+](C)Cc1cc[nH]n1)Cc1cc[nH]n1 ZINC000343748874 137154284 /nfs/dbraw/zinc/15/42/84/137154284.db2.gz XJSRTXAEFVZNNK-UHFFFAOYSA-N 2 2 292.387 0.713 20 0 CCADLP C[NH+](CCOCC[N@H+](C)Cc1cc[nH]n1)Cc1cc[nH]n1 ZINC000343748874 137154285 /nfs/dbraw/zinc/15/42/85/137154285.db2.gz XJSRTXAEFVZNNK-UHFFFAOYSA-N 2 2 292.387 0.713 20 0 CCADLP CC(C)c1nc(N[C@@H](C)C[NH+](C)C)nc(N(C)C)[nH+]1 ZINC000343800728 137158520 /nfs/dbraw/zinc/15/85/20/137158520.db2.gz ZHGGDMXTYBUCGB-JTQLQIEISA-N 2 2 266.393 0.845 20 0 CCADLP CCO[C@@H]1C[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C12CCC2 ZINC000344026040 137173395 /nfs/dbraw/zinc/17/33/95/137173395.db2.gz SUUOPGAWBWDEAD-UONOGXRCSA-N 2 2 295.427 0.698 20 0 CCADLP Cn1nc2c(cc1=O)C[N@@H+](CCCn1cc[nH+]c1)CC2 ZINC000343313992 137127313 /nfs/dbraw/zinc/12/73/13/137127313.db2.gz LMVDJRIKNWRNDE-UHFFFAOYSA-N 2 2 273.340 0.425 20 0 CCADLP Cn1nc2c(cc1=O)C[N@H+](CCCn1cc[nH+]c1)CC2 ZINC000343313992 137127314 /nfs/dbraw/zinc/12/73/14/137127314.db2.gz LMVDJRIKNWRNDE-UHFFFAOYSA-N 2 2 273.340 0.425 20 0 CCADLP O=C(NCCC[NH+]1CCCC1)NCCn1cc[nH+]c1 ZINC000339342563 215107523 /nfs/dbraw/zinc/10/75/23/215107523.db2.gz HZLGIECFFNAEBS-UHFFFAOYSA-N 2 2 265.361 0.668 20 0 CCADLP CC[NH+]1CCC(N2CCC[N@H+](CC(=O)NC)CC2)CC1 ZINC000344206807 137183306 /nfs/dbraw/zinc/18/33/06/137183306.db2.gz AHOWAGDZMMDNBR-UHFFFAOYSA-N 2 2 282.432 0.224 20 0 CCADLP CC[NH+]1CCC(N2CCC[N@@H+](CC(=O)NC)CC2)CC1 ZINC000344206807 137183307 /nfs/dbraw/zinc/18/33/07/137183307.db2.gz AHOWAGDZMMDNBR-UHFFFAOYSA-N 2 2 282.432 0.224 20 0 CCADLP CC[NH+]1CCC([N@@H+]2CCCN(CC(=O)NC)CC2)CC1 ZINC000344206807 137183308 /nfs/dbraw/zinc/18/33/08/137183308.db2.gz AHOWAGDZMMDNBR-UHFFFAOYSA-N 2 2 282.432 0.224 20 0 CCADLP CC[NH+]1CCC([N@H+]2CCCN(CC(=O)NC)CC2)CC1 ZINC000344206807 137183309 /nfs/dbraw/zinc/18/33/09/137183309.db2.gz AHOWAGDZMMDNBR-UHFFFAOYSA-N 2 2 282.432 0.224 20 0 CCADLP CCN(CC)S(=O)(=O)CC[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000344228119 137184682 /nfs/dbraw/zinc/18/46/82/137184682.db2.gz WIQJSEDEJJOZGR-OLZOCXBDSA-N 2 2 291.461 0.588 20 0 CCADLP CCN(CC)S(=O)(=O)CC[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000344228119 137184683 /nfs/dbraw/zinc/18/46/83/137184683.db2.gz WIQJSEDEJJOZGR-OLZOCXBDSA-N 2 2 291.461 0.588 20 0 CCADLP O=C([C@@H]1CCCC[NH2+]1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000013479557 348026613 /nfs/dbraw/zinc/02/66/13/348026613.db2.gz OGWMZJGJKKFPMX-HNNXBMFYSA-N 2 2 288.395 0.868 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000037008726 348178707 /nfs/dbraw/zinc/17/87/07/348178707.db2.gz URRKWSMZQXGMIZ-HIFRSBDPSA-N 2 2 291.395 0.913 20 0 CCADLP O=C([C@@H]1CCC[NH2+]C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000037802767 348206197 /nfs/dbraw/zinc/20/61/97/348206197.db2.gz JVFOSOKVPZZOBY-CQSZACIVSA-N 2 2 288.395 0.725 20 0 CCADLP CCC(CC)NC(=O)[C@H](C)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453789 535072293 /nfs/dbraw/zinc/07/22/93/535072293.db2.gz VDCGSPDKBKNRCI-SRVKXCTJSA-N 2 2 253.390 0.831 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000346161865 137270408 /nfs/dbraw/zinc/27/04/08/137270408.db2.gz NFVNLDMWIHKEDU-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]Cc1ccc2c(c1)nnn2C ZINC000346246409 137274851 /nfs/dbraw/zinc/27/48/51/137274851.db2.gz XCIHSURSCBGUPD-UHFFFAOYSA-N 2 2 277.372 0.372 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]Cc1ccc2c(c1)nnn2C ZINC000346246409 137274852 /nfs/dbraw/zinc/27/48/52/137274852.db2.gz XCIHSURSCBGUPD-UHFFFAOYSA-N 2 2 277.372 0.372 20 0 CCADLP Cn1cc(N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)cn1 ZINC000346980555 137314190 /nfs/dbraw/zinc/31/41/90/137314190.db2.gz LYIKAHWKEDDRGI-ZDUSSCGKSA-N 2 2 263.389 0.542 20 0 CCADLP O=C(CC[NH2+]C1CC1)NCCCCn1cc[nH+]c1 ZINC000045109190 348334543 /nfs/dbraw/zinc/33/45/43/348334543.db2.gz OWSNHHOVUHWMDV-UHFFFAOYSA-N 2 2 250.346 0.922 20 0 CCADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000346819547 137306505 /nfs/dbraw/zinc/30/65/05/137306505.db2.gz JDDCRUUAISGMIF-LBPRGKRZSA-N 2 2 271.405 0.602 20 0 CCADLP COC(=O)[C@@]1(C)C[C@H](OC)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000602947878 362904615 /nfs/dbraw/zinc/90/46/15/362904615.db2.gz ZFSPNJMSAMPBNF-GXTWGEPZSA-N 2 2 281.356 0.926 20 0 CCADLP COC(=O)[C@@]1(C)C[C@H](OC)C[N@H+]1CCCn1cc[nH+]c1 ZINC000602947878 362904619 /nfs/dbraw/zinc/90/46/19/362904619.db2.gz ZFSPNJMSAMPBNF-GXTWGEPZSA-N 2 2 281.356 0.926 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+][C@@H](C)CCN2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000349358981 137392546 /nfs/dbraw/zinc/39/25/46/137392546.db2.gz XZJDIFUXPKZQAW-JYJNAYRXSA-N 3 2 282.476 0.942 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)CCN2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000349358981 137392547 /nfs/dbraw/zinc/39/25/47/137392547.db2.gz XZJDIFUXPKZQAW-JYJNAYRXSA-N 3 2 282.476 0.942 20 0 CCADLP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000347528504 137341799 /nfs/dbraw/zinc/34/17/99/137341799.db2.gz IEUDWVMWVMMBGW-WCQYABFASA-N 2 2 266.389 0.836 20 0 CCADLP CCOC(=O)[C@H]([NH2+]CCn1cc[nH+]c1)[C@H]1CCCOC1 ZINC000347600016 137345072 /nfs/dbraw/zinc/34/50/72/137345072.db2.gz ZGBXPTTWEHXRNT-QWHCGFSZSA-N 2 2 281.356 0.831 20 0 CCADLP O[C@H](C[NH2+]CCn1cc[nH+]c1)COc1ccccc1 ZINC000049077178 348438702 /nfs/dbraw/zinc/43/87/02/348438702.db2.gz UPDKQJJOVYYZJQ-CYBMUJFWSA-N 2 2 261.325 0.913 20 0 CCADLP C[C@@H](C(=O)N(C)C1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000348072758 137371474 /nfs/dbraw/zinc/37/14/74/137371474.db2.gz MPKKROFIVVXDNB-LBPRGKRZSA-N 2 2 269.389 0.260 20 0 CCADLP O=C(CCOC1C[NH2+]C1)NCCc1cn2ccccc2[nH+]1 ZINC000349005142 137383693 /nfs/dbraw/zinc/38/36/93/137383693.db2.gz SLRNRYWQEPXDBE-UHFFFAOYSA-N 2 2 288.351 0.372 20 0 CCADLP NC(=O)c1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000051187968 348487131 /nfs/dbraw/zinc/48/71/31/348487131.db2.gz COGRASFODXMSIP-AWEZNQCLSA-N 2 2 277.368 0.332 20 0 CCADLP O=C([C@@H]1CSC[NH2+]1)N1CC[NH+](C2CCCC2)CC1 ZINC000052062682 348503714 /nfs/dbraw/zinc/50/37/14/348503714.db2.gz DUKGWKPNRNIXGO-LBPRGKRZSA-N 2 2 269.414 0.736 20 0 CCADLP C[C@@H](C[NH3+])C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000054341606 348552773 /nfs/dbraw/zinc/55/27/73/348552773.db2.gz ACNHZMVPAZKDIJ-LBPRGKRZSA-N 2 2 262.357 0.321 20 0 CCADLP CC[C@@]1(C(=O)NCCCn2cc[nH+]c2)CC[NH2+]C1 ZINC000062890133 348671619 /nfs/dbraw/zinc/67/16/19/348671619.db2.gz DAUOCYXFNHVBJZ-CYBMUJFWSA-N 2 2 250.346 0.779 20 0 CCADLP [NH3+][C@H]1CCC[C@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000070574134 348892876 /nfs/dbraw/zinc/89/28/76/348892876.db2.gz WCLJGYAHZDHXQB-RYUDHWBXSA-N 2 2 250.346 0.907 20 0 CCADLP CN(C)c1ncc(C[NH2+]CCCn2cc[nH+]c2)n1C ZINC000070142964 348873705 /nfs/dbraw/zinc/87/37/05/348873705.db2.gz NIOXZVIXRQBKJD-UHFFFAOYSA-N 2 2 262.361 0.863 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCCn2cc[nH+]c2)n1C ZINC000070142964 348873707 /nfs/dbraw/zinc/87/37/07/348873707.db2.gz NIOXZVIXRQBKJD-UHFFFAOYSA-N 3 2 262.361 0.863 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CC(C)(C)N2CCOCC2)n1C ZINC000070142716 348873802 /nfs/dbraw/zinc/87/38/02/348873802.db2.gz XLUMJZWNKSGSBH-UHFFFAOYSA-N 2 2 295.431 0.687 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070173861 348876753 /nfs/dbraw/zinc/87/67/53/348876753.db2.gz KGDNFMUUJAUEIW-NEPJUHHUSA-N 2 2 284.404 0.672 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070173861 348876756 /nfs/dbraw/zinc/87/67/56/348876756.db2.gz KGDNFMUUJAUEIW-NEPJUHHUSA-N 2 2 284.404 0.672 20 0 CCADLP CC(C)[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000071031435 348902395 /nfs/dbraw/zinc/90/23/95/348902395.db2.gz UTEHPYXUKQALND-LLVKDONJSA-N 2 2 250.346 0.909 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CCNS(=O)(=O)CC)[C@H](C)C1 ZINC000079462107 349178090 /nfs/dbraw/zinc/17/80/90/349178090.db2.gz DKKBIEZDHODGAN-CHWSQXEVSA-N 2 2 291.461 0.588 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CCNS(=O)(=O)CC)[C@H](C)C1 ZINC000079462107 349178095 /nfs/dbraw/zinc/17/80/95/349178095.db2.gz DKKBIEZDHODGAN-CHWSQXEVSA-N 2 2 291.461 0.588 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CCNS(=O)(=O)CC)[C@H](C)C1 ZINC000079462107 349178098 /nfs/dbraw/zinc/17/80/98/349178098.db2.gz DKKBIEZDHODGAN-CHWSQXEVSA-N 2 2 291.461 0.588 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CCNS(=O)(=O)CC)[C@H](C)C1 ZINC000079462107 349178103 /nfs/dbraw/zinc/17/81/03/349178103.db2.gz DKKBIEZDHODGAN-CHWSQXEVSA-N 2 2 291.461 0.588 20 0 CCADLP CC(C)C[C@H](CNC(=O)[C@@]1(C)CCC[NH2+]1)[NH+]1CCOCC1 ZINC000079519589 349182566 /nfs/dbraw/zinc/18/25/66/349182566.db2.gz SVJFHFVCWLPJJX-GDBMZVCRSA-N 2 2 297.443 0.992 20 0 CCADLP CN(CC(=O)N1CC[NH2+]CC1)c1[nH+]c2ccccc2n1C ZINC000079047788 349165887 /nfs/dbraw/zinc/16/58/87/349165887.db2.gz PABUAMZEYFRUQZ-UHFFFAOYSA-N 2 2 287.367 0.441 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC(=O)NC)[C@H](C)C1 ZINC000081096078 349245865 /nfs/dbraw/zinc/24/58/65/349245865.db2.gz NSVZVWAANYHMJZ-MNOVXSKESA-N 2 2 270.377 0.104 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC(=O)NC)[C@H](C)C1 ZINC000081096078 349245869 /nfs/dbraw/zinc/24/58/69/349245869.db2.gz NSVZVWAANYHMJZ-MNOVXSKESA-N 2 2 270.377 0.104 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC(=O)NC)[C@H](C)C1 ZINC000081096078 349245872 /nfs/dbraw/zinc/24/58/72/349245872.db2.gz NSVZVWAANYHMJZ-MNOVXSKESA-N 2 2 270.377 0.104 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC(=O)NC)[C@H](C)C1 ZINC000081096078 349245875 /nfs/dbraw/zinc/24/58/75/349245875.db2.gz NSVZVWAANYHMJZ-MNOVXSKESA-N 2 2 270.377 0.104 20 0 CCADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCNC2=O)C1 ZINC000081516271 349271342 /nfs/dbraw/zinc/27/13/42/349271342.db2.gz OMKAXLIADWYMDT-GFCCVEGCSA-N 2 2 282.388 0.202 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCNC2=O)C1 ZINC000081516271 349271344 /nfs/dbraw/zinc/27/13/44/349271344.db2.gz OMKAXLIADWYMDT-GFCCVEGCSA-N 2 2 282.388 0.202 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000081516271 349271348 /nfs/dbraw/zinc/27/13/48/349271348.db2.gz OMKAXLIADWYMDT-GFCCVEGCSA-N 2 2 282.388 0.202 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000081516271 349271351 /nfs/dbraw/zinc/27/13/51/349271351.db2.gz OMKAXLIADWYMDT-GFCCVEGCSA-N 2 2 282.388 0.202 20 0 CCADLP CC(C)(CNC(=O)C[N@@H+]1CCC12CCC2)[NH+]1CCOCC1 ZINC000081532092 349272446 /nfs/dbraw/zinc/27/24/46/349272446.db2.gz KNJAYQOBIUHPME-UHFFFAOYSA-N 2 2 295.427 0.842 20 0 CCADLP CC(C)(CNC(=O)C[N@H+]1CCC12CCC2)[NH+]1CCOCC1 ZINC000081532092 349272449 /nfs/dbraw/zinc/27/24/49/349272449.db2.gz KNJAYQOBIUHPME-UHFFFAOYSA-N 2 2 295.427 0.842 20 0 CCADLP CC[NH+](CC)CCC[NH2+][C@H](C)CS(C)(=O)=O ZINC000081898841 349287367 /nfs/dbraw/zinc/28/73/67/349287367.db2.gz ZVQNBEDYLGDLGD-LLVKDONJSA-N 2 2 250.408 0.741 20 0 CCADLP CN(C)c1nc(NCCN2CC[NH+](C)CC2)cc[nH+]1 ZINC000085435845 349333765 /nfs/dbraw/zinc/33/37/65/349333765.db2.gz MRNVUWSIQSRXNY-UHFFFAOYSA-N 2 2 264.377 0.202 20 0 CCADLP CC(C)c1[nH+]ccn1CCC(=O)N1CC[NH+](CCO)CC1 ZINC000087084385 349347146 /nfs/dbraw/zinc/34/71/46/349347146.db2.gz SQIMWYWDBOOWNY-UHFFFAOYSA-N 2 2 294.399 0.533 20 0 CCADLP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000087410015 349349841 /nfs/dbraw/zinc/34/98/41/349349841.db2.gz KXALRBUFDJCDEN-DGCLKSJQSA-N 2 2 265.405 0.625 20 0 CCADLP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000087410015 349349845 /nfs/dbraw/zinc/34/98/45/349349845.db2.gz KXALRBUFDJCDEN-DGCLKSJQSA-N 2 2 265.405 0.625 20 0 CCADLP O=C([C@H]1COCC[NH2+]1)N1CC[NH+](C2CCCC2)CC1 ZINC000088372213 349364979 /nfs/dbraw/zinc/36/49/79/349364979.db2.gz XEUZQYCMHBEXIS-CYBMUJFWSA-N 2 2 267.373 0.062 20 0 CCADLP OCC1(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)COC1 ZINC000089127040 349376106 /nfs/dbraw/zinc/37/61/06/349376106.db2.gz RMALAPJUOMNJFJ-CQSZACIVSA-N 2 2 284.400 0.040 20 0 CCADLP OCC1(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)COC1 ZINC000089127040 349376110 /nfs/dbraw/zinc/37/61/10/349376110.db2.gz RMALAPJUOMNJFJ-CQSZACIVSA-N 2 2 284.400 0.040 20 0 CCADLP Cc1nn2c(C[NH2+]C[C@@](C)(O)C[NH+](C)C)c(C)nc2s1 ZINC000271201555 190993808 /nfs/dbraw/zinc/99/38/08/190993808.db2.gz ITFILNFZYHLERH-CYBMUJFWSA-N 2 2 297.428 0.810 20 0 CCADLP CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926759 349412836 /nfs/dbraw/zinc/41/28/36/349412836.db2.gz LNYKVHKRHFNKQH-OLZOCXBDSA-N 2 2 293.415 0.845 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C[NH3+])C1 ZINC000122636856 350068257 /nfs/dbraw/zinc/06/82/57/350068257.db2.gz XQYUDHGKSHRNBD-CYBMUJFWSA-N 2 2 281.787 0.984 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C[NH3+])C1 ZINC000122636856 350068259 /nfs/dbraw/zinc/06/82/59/350068259.db2.gz XQYUDHGKSHRNBD-CYBMUJFWSA-N 2 2 281.787 0.984 20 0 CCADLP CC[C@@H](C(=O)N[C@@H](C)C[NH+]1CCOCC1)[NH+](C)C ZINC000124809775 350108582 /nfs/dbraw/zinc/10/85/82/350108582.db2.gz NRSVRKDIGNQKHO-RYUDHWBXSA-N 2 2 257.378 0.164 20 0 CCADLP CC(=O)Nc1ccc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000124251654 350093029 /nfs/dbraw/zinc/09/30/29/350093029.db2.gz HBIGQHKEXJCKRC-HNNXBMFYSA-N 2 2 276.384 0.720 20 0 CCADLP CC(=O)Nc1ccc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000124251654 350093031 /nfs/dbraw/zinc/09/30/31/350093031.db2.gz HBIGQHKEXJCKRC-HNNXBMFYSA-N 2 2 276.384 0.720 20 0 CCADLP C[N@@H+]1CCN(C(=O)c2cccc3ncccc32)[C@H](C[NH3+])C1 ZINC000124305713 350094004 /nfs/dbraw/zinc/09/40/04/350094004.db2.gz WIABIFZJGWGUFM-GFCCVEGCSA-N 2 2 284.363 0.950 20 0 CCADLP C[N@H+]1CCN(C(=O)c2cccc3ncccc32)[C@H](C[NH3+])C1 ZINC000124305713 350094007 /nfs/dbraw/zinc/09/40/07/350094007.db2.gz WIABIFZJGWGUFM-GFCCVEGCSA-N 2 2 284.363 0.950 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)n1C ZINC000128076764 350184675 /nfs/dbraw/zinc/18/46/75/350184675.db2.gz VOHLMNPBKSEKEL-GHMZBOCLSA-N 2 2 252.362 0.735 20 0 CCADLP c1c[nH+]c(CN2CC[C@@H](C[NH+]3CCOCC3)C2)[nH]1 ZINC000129411470 350213675 /nfs/dbraw/zinc/21/36/75/350213675.db2.gz WYLPVMRWRRJBQC-LBPRGKRZSA-N 2 2 250.346 0.564 20 0 CCADLP CCOC[C@H](O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131663283 350282440 /nfs/dbraw/zinc/28/24/40/350282440.db2.gz RDJMMRXBKOPZFN-OCCSQVGLSA-N 2 2 266.341 0.932 20 0 CCADLP Cn1ncc2c1nc[nH+]c2NC[C@](C)(O)C[NH+](C)C ZINC000132966313 350321435 /nfs/dbraw/zinc/32/14/35/350321435.db2.gz XRYALOGQIKFSIF-LBPRGKRZSA-N 2 2 264.333 0.088 20 0 CCADLP CC[C@H](C)[NH+]1CCN(c2nc[nH+]c(N)c2OC)CC1 ZINC000134880183 350378874 /nfs/dbraw/zinc/37/88/74/350378874.db2.gz VOMFSLKQKPTDCD-JTQLQIEISA-N 2 2 265.361 0.988 20 0 CCADLP CCC(CC)[C@@H](C(=O)NC[C@H]([NH3+])C1CC1)[NH+]1CCOCC1 ZINC000137595029 350437233 /nfs/dbraw/zinc/43/72/33/350437233.db2.gz XWVPGGLKLGVUCA-GJZGRUSLSA-N 2 2 297.443 0.977 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000136200105 350417646 /nfs/dbraw/zinc/41/76/46/350417646.db2.gz QOFCONKMEAMTIY-JSGCOSHPSA-N 2 2 269.389 0.356 20 0 CCADLP CC(C)[C@H](C(=O)NCC(C)(C)[NH+]1CCOCC1)[NH+](C)C ZINC000106426249 186116705 /nfs/dbraw/zinc/11/67/05/186116705.db2.gz LYFPQIRNDPVMES-CYBMUJFWSA-N 2 2 285.432 0.800 20 0 CCADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCc1ccc(F)cc1 ZINC000107855025 186194998 /nfs/dbraw/zinc/19/49/98/186194998.db2.gz GWJQDPACUZHNAX-BETUJISGSA-N 2 2 277.343 0.593 20 0 CCADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCc1ccc(F)cc1 ZINC000107855025 186195000 /nfs/dbraw/zinc/19/50/00/186195000.db2.gz GWJQDPACUZHNAX-BETUJISGSA-N 2 2 277.343 0.593 20 0 CCADLP Cc1ncc([C@H](C)[NH2+]C[C@H](O)C[NH+](C)C)c(C)n1 ZINC000154291116 350581877 /nfs/dbraw/zinc/58/18/77/350581877.db2.gz FCNWKISRGZPQQD-CABZTGNLSA-N 2 2 252.362 0.667 20 0 CCADLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc([S@](C)=O)cc1 ZINC000154331684 350583682 /nfs/dbraw/zinc/58/36/82/350583682.db2.gz ZPZFJSQAYIOIMK-RGIROJJOSA-N 2 2 284.425 0.997 20 0 CCADLP O=C(C[NH2+]C1CC1)NCc1ccc[nH+]c1N1CCOCC1 ZINC000154624286 350594398 /nfs/dbraw/zinc/59/43/98/350594398.db2.gz AUKVGXRTLALNIO-UHFFFAOYSA-N 2 2 290.367 0.286 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)[C@@H]1CCOC1 ZINC000155290606 350614624 /nfs/dbraw/zinc/61/46/24/350614624.db2.gz RWMYELCCQVAQPH-RBSFLKMASA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)[C@@H]1CCOC1 ZINC000155290606 350614625 /nfs/dbraw/zinc/61/46/25/350614625.db2.gz RWMYELCCQVAQPH-RBSFLKMASA-N 2 2 297.443 0.944 20 0 CCADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N(C)Cc2[nH+]ccn2C)C1(C)C ZINC000156976445 350637590 /nfs/dbraw/zinc/63/75/90/350637590.db2.gz NWXYTVSZBKQKTJ-IAQYHMDHSA-N 2 2 294.399 0.911 20 0 CCADLP C[NH+](C)CC[C@](C)(O)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000573850532 334971742 /nfs/dbraw/zinc/97/17/42/334971742.db2.gz RWQJHWWXNLYHOT-DOMZBBRYSA-N 2 2 294.399 0.264 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156387776 350630229 /nfs/dbraw/zinc/63/02/29/350630229.db2.gz BDRCGEZHXZYUJO-LBPRGKRZSA-N 2 2 292.339 0.380 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156387776 350630231 /nfs/dbraw/zinc/63/02/31/350630231.db2.gz BDRCGEZHXZYUJO-LBPRGKRZSA-N 2 2 292.339 0.380 20 0 CCADLP Cc1nn(C)c(C)c1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000110837677 186328654 /nfs/dbraw/zinc/32/86/54/186328654.db2.gz DFBDCNMOZQGZBF-ZDUSSCGKSA-N 2 2 266.389 0.583 20 0 CCADLP COC[C@H]([NH3+])C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000159140977 350670557 /nfs/dbraw/zinc/67/05/57/350670557.db2.gz BPRDWTOJYFFPJM-NSHDSACASA-N 2 2 275.312 0.488 20 0 CCADLP Cn1c[nH+]cc1CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000162363542 350742401 /nfs/dbraw/zinc/74/24/01/350742401.db2.gz RFOKBGULOCRSDP-CQSZACIVSA-N 2 2 291.399 0.159 20 0 CCADLP Cn1c[nH+]cc1CN1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000162363542 350742404 /nfs/dbraw/zinc/74/24/04/350742404.db2.gz RFOKBGULOCRSDP-CQSZACIVSA-N 2 2 291.399 0.159 20 0 CCADLP CC[NH+](CC)CCC[NH2+]C[C@H](C)S(C)(=O)=O ZINC000167724891 350813954 /nfs/dbraw/zinc/81/39/54/350813954.db2.gz UBJUABNMFVMRKE-NSHDSACASA-N 2 2 250.408 0.741 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@@H]2CSC[NH2+]2)CC[N@@H+]1CCOC ZINC000168071461 350819107 /nfs/dbraw/zinc/81/91/07/350819107.db2.gz ICMYTYDPTCFLIL-NEPJUHHUSA-N 2 2 287.429 0.218 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@@H]2CSC[NH2+]2)CC[N@H+]1CCOC ZINC000168071461 350819109 /nfs/dbraw/zinc/81/91/09/350819109.db2.gz ICMYTYDPTCFLIL-NEPJUHHUSA-N 2 2 287.429 0.218 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)[C@H]1COCC[NH2+]1)c1cccc(F)c1 ZINC000163591347 350768869 /nfs/dbraw/zinc/76/88/69/350768869.db2.gz MWQFZWGCBMEVID-ZIAGYGMSSA-N 2 2 295.358 0.533 20 0 CCADLP C[C@H](CNC(=O)C[C@H]1CCC[NH2+]1)Cn1cc[nH+]c1 ZINC000165588264 350791805 /nfs/dbraw/zinc/79/18/05/350791805.db2.gz JNHIJELJEUZSGO-VXGBXAGGSA-N 2 2 250.346 0.778 20 0 CCADLP Cc1cccnc1C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000166242359 350796834 /nfs/dbraw/zinc/79/68/34/350796834.db2.gz BKMQNFAJEVRWFX-UHFFFAOYSA-N 2 2 262.357 0.254 20 0 CCADLP Cc1cccnc1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000166242359 350796836 /nfs/dbraw/zinc/79/68/36/350796836.db2.gz BKMQNFAJEVRWFX-UHFFFAOYSA-N 2 2 262.357 0.254 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CC=CCC1 ZINC000684502176 545691609 /nfs/dbraw/zinc/69/16/09/545691609.db2.gz MAAOKHBOKYMWKT-CYBMUJFWSA-N 2 2 251.374 0.849 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CC=CCC1 ZINC000684502176 545691614 /nfs/dbraw/zinc/69/16/14/545691614.db2.gz MAAOKHBOKYMWKT-CYBMUJFWSA-N 2 2 251.374 0.849 20 0 CCADLP C[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+]1CC=CCC1 ZINC000684502176 545691622 /nfs/dbraw/zinc/69/16/22/545691622.db2.gz MAAOKHBOKYMWKT-CYBMUJFWSA-N 2 2 251.374 0.849 20 0 CCADLP C[C@@H](C(=O)NCCC[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000339777936 215336067 /nfs/dbraw/zinc/33/60/67/215336067.db2.gz RFJYVOJRAGYABW-ZDUSSCGKSA-N 2 2 269.389 0.309 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000174750541 351102350 /nfs/dbraw/zinc/10/23/50/351102350.db2.gz JFZYMQDNWKZYBI-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000174750541 351102351 /nfs/dbraw/zinc/10/23/51/351102351.db2.gz JFZYMQDNWKZYBI-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP CC[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000174750541 351102352 /nfs/dbraw/zinc/10/23/52/351102352.db2.gz JFZYMQDNWKZYBI-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP CC[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000174750541 351102353 /nfs/dbraw/zinc/10/23/53/351102353.db2.gz JFZYMQDNWKZYBI-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000121779862 282748546 /nfs/dbraw/zinc/74/85/46/282748546.db2.gz MALBOQITUQJVOZ-SECBINFHSA-N 2 2 278.278 0.465 20 0 CCADLP CCOCC[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000181490493 351322806 /nfs/dbraw/zinc/32/28/06/351322806.db2.gz YVBDCZHJKCNXFF-UHFFFAOYSA-N 2 2 293.415 0.697 20 0 CCADLP CCC[C@H](C)C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000180049654 351279781 /nfs/dbraw/zinc/27/97/81/351279781.db2.gz XBOKPLITGMIURY-LSDHHAIUSA-N 2 2 297.443 0.945 20 0 CCADLP CO[C@H](C)CCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000183723061 351388489 /nfs/dbraw/zinc/38/84/89/351388489.db2.gz CLPLYXBLDVTAIB-CYBMUJFWSA-N 2 2 285.432 0.944 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+](CC3OCCO3)CC2)c1 ZINC000182231182 351352719 /nfs/dbraw/zinc/35/27/19/351352719.db2.gz BXCBJDFLCJSZHV-UHFFFAOYSA-N 2 2 279.340 0.585 20 0 CCADLP CCOC(=O)c1nn(C)cc1C[NH2+]CCn1cc[nH+]c1 ZINC000186297104 351489887 /nfs/dbraw/zinc/48/98/87/351489887.db2.gz RPESJDUMIKTTKO-UHFFFAOYSA-N 2 2 277.328 0.583 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(C)(CO)CC2)CC1 ZINC000186904921 351521223 /nfs/dbraw/zinc/52/12/23/351521223.db2.gz WVYPZUFQUPZPLJ-CQSZACIVSA-N 2 2 297.443 0.633 20 0 CCADLP CCOCC[NH+]1CCN(CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000191483957 351759917 /nfs/dbraw/zinc/75/99/17/351759917.db2.gz BXDRFBUQFORFFI-OAHLLOKOSA-N 2 2 285.432 0.361 20 0 CCADLP CCOCC[NH+]1CCN(CC[N@H+]2CCOC[C@H]2C)CC1 ZINC000191483957 351759922 /nfs/dbraw/zinc/75/99/22/351759922.db2.gz BXDRFBUQFORFFI-OAHLLOKOSA-N 2 2 285.432 0.361 20 0 CCADLP CCOc1nccnc1NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000541899373 290942260 /nfs/dbraw/zinc/94/22/60/290942260.db2.gz PRXHKQJHYNFOAD-UHFFFAOYSA-N 2 2 293.415 0.735 20 0 CCADLP Cc1nn(C)cc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000123618747 187101283 /nfs/dbraw/zinc/10/12/83/187101283.db2.gz HJLOBDPVNMNPRP-CYBMUJFWSA-N 2 2 252.362 0.275 20 0 CCADLP C[C@H]([NH3+])C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000195149842 351899367 /nfs/dbraw/zinc/89/93/67/351899367.db2.gz BYKYPGXHPUZCHT-MNOVXSKESA-N 2 2 278.356 0.270 20 0 CCADLP COC(=O)COc1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000218990179 351964191 /nfs/dbraw/zinc/96/41/91/351964191.db2.gz HAQJNXANDPVFBM-LBPRGKRZSA-N 2 2 264.325 0.771 20 0 CCADLP COC(=O)COc1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000218990179 351964195 /nfs/dbraw/zinc/96/41/95/351964195.db2.gz HAQJNXANDPVFBM-LBPRGKRZSA-N 2 2 264.325 0.771 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3nnnn3C3CC3)C[C@H]21 ZINC000228473876 352075065 /nfs/dbraw/zinc/07/50/65/352075065.db2.gz FMZVWRVFDMLSSR-YUSALJHKSA-N 2 2 262.361 0.567 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3nnnn3C3CC3)C[C@H]21 ZINC000228473876 352075069 /nfs/dbraw/zinc/07/50/69/352075069.db2.gz FMZVWRVFDMLSSR-YUSALJHKSA-N 2 2 262.361 0.567 20 0 CCADLP Cc1ccc([C@@H]([NH3+])C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000228090734 352068210 /nfs/dbraw/zinc/06/82/10/352068210.db2.gz FCPYOIVYGUJBOV-CQSZACIVSA-N 2 2 277.368 0.443 20 0 CCADLP C[N@H+](CC(=O)NCC(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000231669162 352131274 /nfs/dbraw/zinc/13/12/74/352131274.db2.gz QFQPDCDXIPFMCJ-VIFPVBQESA-N 2 2 267.295 0.739 20 0 CCADLP C[N@@H+](CC(=O)NCC(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000231669162 352131277 /nfs/dbraw/zinc/13/12/77/352131277.db2.gz QFQPDCDXIPFMCJ-VIFPVBQESA-N 2 2 267.295 0.739 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC000234814433 352172198 /nfs/dbraw/zinc/17/21/98/352172198.db2.gz DLDCMOBPQZARBE-GXTWGEPZSA-N 2 2 274.405 0.425 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@H]1CCCC[NH2+]1)[NH+]1CCOCC1 ZINC000236687561 352205308 /nfs/dbraw/zinc/20/53/08/352205308.db2.gz KVVGDKITAPHICQ-ZIAGYGMSSA-N 2 2 283.416 0.602 20 0 CCADLP CCCC[C@H]([NH3+])C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000236838595 352220789 /nfs/dbraw/zinc/22/07/89/352220789.db2.gz YXIRFRPPRRULKH-UPJWGTAASA-N 2 2 271.405 0.729 20 0 CCADLP C[NH+](C)C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000603554419 363146125 /nfs/dbraw/zinc/14/61/25/363146125.db2.gz CIRQHLBAJMERHY-GFCCVEGCSA-N 2 2 250.346 0.683 20 0 CCADLP COc1ccc([C@H](NC(=O)[C@@H](C)[NH3+])c2[nH+]ccn2C)cc1 ZINC000237269033 352256609 /nfs/dbraw/zinc/25/66/09/352256609.db2.gz GUZSCCGRBOKGHY-MFKMUULPSA-N 2 2 288.351 0.982 20 0 CCADLP C[C@H](CNC(=O)C[C@H]1CSCC[NH2+]1)Cn1cc[nH+]c1 ZINC000237417622 352264015 /nfs/dbraw/zinc/26/40/15/352264015.db2.gz LSUHETOOAJMTNP-NEPJUHHUSA-N 2 2 282.413 0.731 20 0 CCADLP O=C(C[NH2+]C1CC1)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000238156855 352300658 /nfs/dbraw/zinc/30/06/58/352300658.db2.gz MERVAWIVACGOLY-UHFFFAOYSA-N 2 2 294.424 0.929 20 0 CCADLP O=C(C[NH2+]C1CC1)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000238156855 352300661 /nfs/dbraw/zinc/30/06/61/352300661.db2.gz MERVAWIVACGOLY-UHFFFAOYSA-N 2 2 294.424 0.929 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418220930 234031773 /nfs/dbraw/zinc/03/17/73/234031773.db2.gz VERZLPOYTYBQFK-JQWIXIFHSA-N 2 2 278.356 0.887 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)c1cccs1 ZINC000245496241 352325882 /nfs/dbraw/zinc/32/58/82/352325882.db2.gz RAVNLDPICQYMIQ-VXGBXAGGSA-N 2 2 297.424 0.798 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)c1cccs1 ZINC000245496241 352325886 /nfs/dbraw/zinc/32/58/86/352325886.db2.gz RAVNLDPICQYMIQ-VXGBXAGGSA-N 2 2 297.424 0.798 20 0 CCADLP Cc1cc(NCCCN2CCNC(=O)C2)nc(C2CC2)[nH+]1 ZINC000271496610 191174844 /nfs/dbraw/zinc/17/48/44/191174844.db2.gz WOZITXRPQZOCAP-UHFFFAOYSA-N 2 2 289.383 0.896 20 0 CCADLP Cc1cc(NCCC[N@@H+]2CCNC(=O)C2)nc(C2CC2)[nH+]1 ZINC000271496610 191174848 /nfs/dbraw/zinc/17/48/48/191174848.db2.gz WOZITXRPQZOCAP-UHFFFAOYSA-N 2 2 289.383 0.896 20 0 CCADLP Cc1cc(NCCC[N@H+]2CCNC(=O)C2)nc(C2CC2)[nH+]1 ZINC000271496610 191174851 /nfs/dbraw/zinc/17/48/51/191174851.db2.gz WOZITXRPQZOCAP-UHFFFAOYSA-N 2 2 289.383 0.896 20 0 CCADLP O=C1NCC[C@@H]1[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000245702628 352334260 /nfs/dbraw/zinc/33/42/60/352334260.db2.gz VRKWEXDDUWOVKA-OLZOCXBDSA-N 2 2 251.374 0.825 20 0 CCADLP O=C1NCC[C@@H]1[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000245702628 352334265 /nfs/dbraw/zinc/33/42/65/352334265.db2.gz VRKWEXDDUWOVKA-OLZOCXBDSA-N 2 2 251.374 0.825 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655418289 412564591 /nfs/dbraw/zinc/56/45/91/412564591.db2.gz QGHCMLADHZJATF-MNOVXSKESA-N 2 2 250.346 0.545 20 0 CCADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NC[C@H]2CCCO2)CC[N@@H+]1C ZINC000247389807 352411957 /nfs/dbraw/zinc/41/19/57/352411957.db2.gz VQZKMNFEHLVVCF-MGPQQGTHSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NC[C@H]2CCCO2)CC[N@H+]1C ZINC000247389807 352411961 /nfs/dbraw/zinc/41/19/61/352411961.db2.gz VQZKMNFEHLVVCF-MGPQQGTHSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)NC[C@H]2CCCO2)CC[NH+]1C ZINC000247389807 352411965 /nfs/dbraw/zinc/41/19/65/352411965.db2.gz VQZKMNFEHLVVCF-MGPQQGTHSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)NC[C@H]2CCCO2)CC[NH+]1C ZINC000247389807 352411968 /nfs/dbraw/zinc/41/19/68/352411968.db2.gz VQZKMNFEHLVVCF-MGPQQGTHSA-N 2 2 283.416 0.696 20 0 CCADLP CCCNC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247961885 352428188 /nfs/dbraw/zinc/42/81/88/352428188.db2.gz GIDODLZQVMZDDO-QWHCGFSZSA-N 2 2 253.390 0.929 20 0 CCADLP CCCNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247961885 352428190 /nfs/dbraw/zinc/42/81/90/352428190.db2.gz GIDODLZQVMZDDO-QWHCGFSZSA-N 2 2 253.390 0.929 20 0 CCADLP CCCNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247961885 352428194 /nfs/dbraw/zinc/42/81/94/352428194.db2.gz GIDODLZQVMZDDO-QWHCGFSZSA-N 2 2 253.390 0.929 20 0 CCADLP CCCNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247961885 352428197 /nfs/dbraw/zinc/42/81/97/352428197.db2.gz GIDODLZQVMZDDO-QWHCGFSZSA-N 2 2 253.390 0.929 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248155917 352432424 /nfs/dbraw/zinc/43/24/24/352432424.db2.gz RJQJHAFZWOTGDM-UONOGXRCSA-N 2 2 283.416 0.555 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248155917 352432427 /nfs/dbraw/zinc/43/24/27/352432427.db2.gz RJQJHAFZWOTGDM-UONOGXRCSA-N 2 2 283.416 0.555 20 0 CCADLP CCOCCNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248155917 352432433 /nfs/dbraw/zinc/43/24/33/352432433.db2.gz RJQJHAFZWOTGDM-UONOGXRCSA-N 2 2 283.416 0.555 20 0 CCADLP CCOCCNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248155917 352432437 /nfs/dbraw/zinc/43/24/37/352432437.db2.gz RJQJHAFZWOTGDM-UONOGXRCSA-N 2 2 283.416 0.555 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)[C@H](C[NH3+])C1 ZINC000250369555 352504671 /nfs/dbraw/zinc/50/46/71/352504671.db2.gz HUWLJCZOFILOBK-NDBYEHHHSA-N 2 2 251.374 0.524 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)[C@H](C[NH3+])C1 ZINC000250369555 352504677 /nfs/dbraw/zinc/50/46/77/352504677.db2.gz HUWLJCZOFILOBK-NDBYEHHHSA-N 2 2 251.374 0.524 20 0 CCADLP O=C1CCC(=O)N1CC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250815784 352508107 /nfs/dbraw/zinc/50/81/07/352508107.db2.gz FEHAPUHLRUWBQQ-CHWSQXEVSA-N 2 2 279.384 0.742 20 0 CCADLP O=C1CCC(=O)N1CC[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250815784 352508108 /nfs/dbraw/zinc/50/81/08/352508108.db2.gz FEHAPUHLRUWBQQ-CHWSQXEVSA-N 2 2 279.384 0.742 20 0 CCADLP CC(C)COC[C@@H](O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357722177 535182253 /nfs/dbraw/zinc/18/22/53/535182253.db2.gz PQEUZCZHVKSREC-HNNXBMFYSA-N 2 2 288.432 0.408 20 0 CCADLP CC(C)COC[C@@H](O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357722177 535182257 /nfs/dbraw/zinc/18/22/57/535182257.db2.gz PQEUZCZHVKSREC-HNNXBMFYSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[N@@H+](Cc1ccnn1C)C[C@@H]1CCC[NH2+]C1 ZINC000262000770 352569203 /nfs/dbraw/zinc/56/92/03/352569203.db2.gz UAQHJMAGJDIRSW-CYBMUJFWSA-N 2 2 266.389 0.868 20 0 CCADLP COCC[N@H+](Cc1ccnn1C)C[C@@H]1CCC[NH2+]C1 ZINC000262000770 352569206 /nfs/dbraw/zinc/56/92/06/352569206.db2.gz UAQHJMAGJDIRSW-CYBMUJFWSA-N 2 2 266.389 0.868 20 0 CCADLP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000262019201 352569275 /nfs/dbraw/zinc/56/92/75/352569275.db2.gz WJYRDIPHWIYWEP-ZNMIVQPWSA-N 3 2 278.400 0.938 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000262331726 352585302 /nfs/dbraw/zinc/58/53/02/352585302.db2.gz YENNDJJMGXVGBT-DGAVXFQQSA-N 2 2 283.416 0.729 20 0 CCADLP Cc1ncc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cn1 ZINC000604388434 363192589 /nfs/dbraw/zinc/19/25/89/363192589.db2.gz DERMLELCAMRYHI-MRXNPFEDSA-N 2 2 289.427 0.997 20 0 CCADLP Cc1ncc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cn1 ZINC000604388434 363192595 /nfs/dbraw/zinc/19/25/95/363192595.db2.gz DERMLELCAMRYHI-MRXNPFEDSA-N 2 2 289.427 0.997 20 0 CCADLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)NC[C@H]1CCCO1 ZINC000269618591 352853226 /nfs/dbraw/zinc/85/32/26/352853226.db2.gz HMBLVKAXILMZON-QWHCGFSZSA-N 2 2 292.383 0.884 20 0 CCADLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)NC[C@H]1CCCO1 ZINC000269618591 352853228 /nfs/dbraw/zinc/85/32/28/352853228.db2.gz HMBLVKAXILMZON-QWHCGFSZSA-N 2 2 292.383 0.884 20 0 CCADLP C[C@H](C(=O)N(C)C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000269678862 352862302 /nfs/dbraw/zinc/86/23/02/352862302.db2.gz CYJBSWNSWWHPIA-LLVKDONJSA-N 2 2 265.361 0.019 20 0 CCADLP CC[N@H+](CCn1cc[nH+]c1C)[C@H](C)CS(C)(=O)=O ZINC000270829568 352992152 /nfs/dbraw/zinc/99/21/52/352992152.db2.gz CPOUDXITJAYGHJ-LLVKDONJSA-N 2 2 273.402 0.947 20 0 CCADLP CC[N@@H+](CCn1cc[nH+]c1C)[C@H](C)CS(C)(=O)=O ZINC000270829568 352992154 /nfs/dbraw/zinc/99/21/54/352992154.db2.gz CPOUDXITJAYGHJ-LLVKDONJSA-N 2 2 273.402 0.947 20 0 CCADLP CS[C@H]1CN(Cc2[nH+]ccn2C)C[C@@H]1[NH+](C)C ZINC000270619385 352958376 /nfs/dbraw/zinc/95/83/76/352958376.db2.gz CYCQCNFBJJNKDR-QWRGUYRKSA-N 2 2 254.403 0.898 20 0 CCADLP CCOC(=O)C1(O)CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000270861362 352996597 /nfs/dbraw/zinc/99/65/97/352996597.db2.gz JXOOFNPEUGSRCH-UHFFFAOYSA-N 2 2 281.356 0.582 20 0 CCADLP CS[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1[NH+](C)C ZINC000270979355 353010977 /nfs/dbraw/zinc/01/09/77/353010977.db2.gz CTNLZRYLSSKVHX-NWDGAFQWSA-N 2 2 282.413 0.777 20 0 CCADLP OCC[NH+](CCO)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000154922043 188170233 /nfs/dbraw/zinc/17/02/33/188170233.db2.gz LHBRWGGIAYGDMP-UHFFFAOYSA-N 2 2 262.313 0.054 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000277574911 353251934 /nfs/dbraw/zinc/25/19/34/353251934.db2.gz VIAALOFVCMMEKK-APPDUMDISA-N 2 2 255.387 0.892 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000277574911 353251938 /nfs/dbraw/zinc/25/19/38/353251938.db2.gz VIAALOFVCMMEKK-APPDUMDISA-N 2 2 255.387 0.892 20 0 CCADLP [NH3+]CC(F)(F)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655453140 412577756 /nfs/dbraw/zinc/57/77/56/412577756.db2.gz FSNGDLZKYQCMSZ-QMMMGPOBSA-N 2 2 258.272 0.156 20 0 CCADLP CC1([NH3+])CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000655457259 412579117 /nfs/dbraw/zinc/57/91/17/412579117.db2.gz ODGZMQSKPIRPHH-NSHDSACASA-N 2 2 262.357 0.785 20 0 CCADLP CC[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@@H+]1C[C@@H](C)O ZINC000283625825 353519508 /nfs/dbraw/zinc/51/95/08/353519508.db2.gz BBDLOFPAQFBNRY-JUGZCIIYSA-N 2 2 292.383 0.727 20 0 CCADLP CC[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@H+]1C[C@@H](C)O ZINC000283625825 353519512 /nfs/dbraw/zinc/51/95/12/353519512.db2.gz BBDLOFPAQFBNRY-JUGZCIIYSA-N 2 2 292.383 0.727 20 0 CCADLP COCC[N@H+](C)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284110222 353550291 /nfs/dbraw/zinc/55/02/91/353550291.db2.gz UFTOFGZJSLWBIX-ONEGZZNKSA-N 2 2 252.318 0.117 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284110222 353550293 /nfs/dbraw/zinc/55/02/93/353550293.db2.gz UFTOFGZJSLWBIX-ONEGZZNKSA-N 2 2 252.318 0.117 20 0 CCADLP COC(=O)[C@]1(C)CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000290064980 353704736 /nfs/dbraw/zinc/70/47/36/353704736.db2.gz POYVOAMOEAXVRJ-CYBMUJFWSA-N 2 2 251.330 0.848 20 0 CCADLP COC(=O)[C@]1(C)CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000290064980 353704740 /nfs/dbraw/zinc/70/47/40/353704740.db2.gz POYVOAMOEAXVRJ-CYBMUJFWSA-N 2 2 251.330 0.848 20 0 CCADLP CN(C)CC[N@H+](C)CCCN(C)C(=O)CCn1cc[nH+]c1 ZINC000290265834 353718124 /nfs/dbraw/zinc/71/81/24/353718124.db2.gz ZJGJAFOKHGJRDQ-UHFFFAOYSA-N 2 2 295.431 0.615 20 0 CCADLP CN(C)CC[N@@H+](C)CCCN(C)C(=O)CCn1cc[nH+]c1 ZINC000290265834 353718128 /nfs/dbraw/zinc/71/81/28/353718128.db2.gz ZJGJAFOKHGJRDQ-UHFFFAOYSA-N 2 2 295.431 0.615 20 0 CCADLP CN(CCCN(C)C(=O)CCn1cc[nH+]c1)CC[NH+](C)C ZINC000290265834 353718133 /nfs/dbraw/zinc/71/81/33/353718133.db2.gz ZJGJAFOKHGJRDQ-UHFFFAOYSA-N 2 2 295.431 0.615 20 0 CCADLP C[NH+](C)CCn1nccc1NC(=O)NCCn1cc[nH+]c1 ZINC000294071195 353865026 /nfs/dbraw/zinc/86/50/26/353865026.db2.gz ADPQGLACMVIHHT-UHFFFAOYSA-N 2 2 291.359 0.463 20 0 CCADLP CC[NH+]1CCN(c2cc(NC[C@@H](C)O)[nH+]cn2)CC1 ZINC000294524797 353889442 /nfs/dbraw/zinc/88/94/42/353889442.db2.gz UTWJEFZUGDTSQJ-LLVKDONJSA-N 2 2 265.361 0.411 20 0 CCADLP Cn1ncc(C[NH2+]CCc2cn3ccccc3[nH+]2)n1 ZINC000293947590 353854195 /nfs/dbraw/zinc/85/41/95/353854195.db2.gz BOTLMMDKXGGYDU-UHFFFAOYSA-N 2 2 256.313 0.795 20 0 CCADLP C[C@@H]1C[NH+](CCC[NH2+]C[C@@H](O)Cn2cccn2)C[C@@H](C)O1 ZINC000556865627 291015490 /nfs/dbraw/zinc/01/54/90/291015490.db2.gz HIFLZOZHTQXOBS-RBSFLKMASA-N 2 2 296.415 0.333 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cn[nH]c3)CC2)CC1 ZINC000299475210 354018819 /nfs/dbraw/zinc/01/88/19/354018819.db2.gz VPEIABAXIAKNIT-UHFFFAOYSA-N 2 2 291.399 0.698 20 0 CCADLP CCCCCNC(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000299571539 354028693 /nfs/dbraw/zinc/02/86/93/354028693.db2.gz HGEKIRJVBBUDPW-UHFFFAOYSA-N 2 2 293.415 0.849 20 0 CCADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)C(=O)NC(=O)NC(C)(C)C ZINC000420380662 234620729 /nfs/dbraw/zinc/62/07/29/234620729.db2.gz YNDBBIRUJVIPOR-WISYIIOYSA-N 2 2 298.431 0.975 20 0 CCADLP CC[C@H](O)C[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000304018327 354103007 /nfs/dbraw/zinc/10/30/07/354103007.db2.gz XIDGNUJJKBAAJQ-JSGCOSHPSA-N 2 2 256.390 0.942 20 0 CCADLP CC[C@H](O)C[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000304018327 354103009 /nfs/dbraw/zinc/10/30/09/354103009.db2.gz XIDGNUJJKBAAJQ-JSGCOSHPSA-N 2 2 256.390 0.942 20 0 CCADLP CCc1[nH+]ccn1C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000305307231 354143954 /nfs/dbraw/zinc/14/39/54/354143954.db2.gz KWFXCIIPYAUIRG-XQQFMLRXSA-N 2 2 267.373 0.916 20 0 CCADLP CCc1[nH+]ccn1C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000305307231 354143955 /nfs/dbraw/zinc/14/39/55/354143955.db2.gz KWFXCIIPYAUIRG-XQQFMLRXSA-N 2 2 267.373 0.916 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H]([C@@H](C)O)C2)CC1 ZINC000305821074 354164086 /nfs/dbraw/zinc/16/40/86/354164086.db2.gz BGYWWVRNFHOZBS-BFHYXJOUSA-N 2 2 283.416 0.242 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H]([C@@H](C)O)C2)CC1 ZINC000305821074 354164088 /nfs/dbraw/zinc/16/40/88/354164088.db2.gz BGYWWVRNFHOZBS-BFHYXJOUSA-N 2 2 283.416 0.242 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(c2nc(N)ns2)CC1 ZINC000328686998 202014931 /nfs/dbraw/zinc/01/49/31/202014931.db2.gz YSQQRBQMBDYMLJ-LLVKDONJSA-N 2 2 296.444 0.557 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(c2nc(N)ns2)CC1 ZINC000328686998 202014934 /nfs/dbraw/zinc/01/49/34/202014934.db2.gz YSQQRBQMBDYMLJ-LLVKDONJSA-N 2 2 296.444 0.557 20 0 CCADLP [NH3+]CC1(CCNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000655483346 412588018 /nfs/dbraw/zinc/58/80/18/412588018.db2.gz BXGQIBRYIRJPMG-NSHDSACASA-N 2 2 262.357 0.691 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)NC(=O)NC1CCCC1 ZINC000314264147 354222762 /nfs/dbraw/zinc/22/27/62/354222762.db2.gz SWDDIHGWPNFMEA-VXGBXAGGSA-N 2 2 294.399 0.296 20 0 CCADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)NC(=O)NC1CCCC1 ZINC000314264147 354222766 /nfs/dbraw/zinc/22/27/66/354222766.db2.gz SWDDIHGWPNFMEA-VXGBXAGGSA-N 2 2 294.399 0.296 20 0 CCADLP [NH3+][C@@H](CC(F)F)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000314737984 354223303 /nfs/dbraw/zinc/22/33/03/354223303.db2.gz HEXLHPIIJALDLR-LBPRGKRZSA-N 2 2 298.337 0.708 20 0 CCADLP [NH3+][C@H](CC(F)F)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000314737980 354223475 /nfs/dbraw/zinc/22/34/75/354223475.db2.gz HEXLHPIIJALDLR-GFCCVEGCSA-N 2 2 298.337 0.708 20 0 CCADLP CCN1CCN(C(=O)C[NH+](CC)CC)C[C@@H]1c1[nH]cc[nH+]1 ZINC000328621895 354240218 /nfs/dbraw/zinc/24/02/18/354240218.db2.gz IAZJRSHWACVVQG-CYBMUJFWSA-N 2 2 293.415 0.957 20 0 CCADLP Cc1nc(NCC[N@H+]2CCC[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000330194185 354305595 /nfs/dbraw/zinc/30/55/95/354305595.db2.gz OPIBTHHELDZKFM-NSHDSACASA-N 2 2 278.404 0.812 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)NCc2c[nH+]c3n2CCCC3)C1 ZINC000557379532 291031307 /nfs/dbraw/zinc/03/13/07/291031307.db2.gz KIUVKVDQKPLQIR-LLVKDONJSA-N 2 2 262.357 0.787 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)NCc2c[nH+]c3n2CCCC3)C1 ZINC000557379532 291031311 /nfs/dbraw/zinc/03/13/11/291031311.db2.gz KIUVKVDQKPLQIR-LLVKDONJSA-N 2 2 262.357 0.787 20 0 CCADLP COCCC[N@H+](C)CC[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000608062145 363396712 /nfs/dbraw/zinc/39/67/12/363396712.db2.gz USPSLKLOUVUNCX-CYBMUJFWSA-N 2 2 281.404 0.483 20 0 CCADLP COCCC[N@@H+](C)CC[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000608062145 363396717 /nfs/dbraw/zinc/39/67/17/363396717.db2.gz USPSLKLOUVUNCX-CYBMUJFWSA-N 2 2 281.404 0.483 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000423535470 235000121 /nfs/dbraw/zinc/00/01/21/235000121.db2.gz XSDRISADICVCAT-YDHLFZDLSA-N 2 2 295.427 0.826 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000423535470 235000124 /nfs/dbraw/zinc/00/01/24/235000124.db2.gz XSDRISADICVCAT-YDHLFZDLSA-N 2 2 295.427 0.826 20 0 CCADLP COc1cc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCO2)c(F)cn1 ZINC000423546420 235002862 /nfs/dbraw/zinc/00/28/62/235002862.db2.gz DFGQEYYWPAVOPJ-VHSXEESVSA-N 2 2 269.320 0.868 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000335076552 354958119 /nfs/dbraw/zinc/95/81/19/354958119.db2.gz MKPALUDZSPZDGT-MNOVXSKESA-N 2 2 250.346 0.743 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000335076552 354958122 /nfs/dbraw/zinc/95/81/22/354958122.db2.gz MKPALUDZSPZDGT-MNOVXSKESA-N 2 2 250.346 0.743 20 0 CCADLP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000423689157 235036416 /nfs/dbraw/zinc/03/64/16/235036416.db2.gz YEWMOFLLGQJUCA-GVXVVHGQSA-N 2 2 269.389 0.482 20 0 CCADLP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000423689157 235036418 /nfs/dbraw/zinc/03/64/18/235036418.db2.gz YEWMOFLLGQJUCA-GVXVVHGQSA-N 2 2 269.389 0.482 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@H]2CSC[NH2+]2)C[C@H](C)O1 ZINC000423766094 235067258 /nfs/dbraw/zinc/06/72/58/235067258.db2.gz VJEPQMIKFADSIR-TUAOUCFPSA-N 2 2 287.429 0.217 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@H]2CSC[NH2+]2)C[C@H](C)O1 ZINC000423766094 235067261 /nfs/dbraw/zinc/06/72/61/235067261.db2.gz VJEPQMIKFADSIR-TUAOUCFPSA-N 2 2 287.429 0.217 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000336654847 355131096 /nfs/dbraw/zinc/13/10/96/355131096.db2.gz GWPYESRCLPQKMU-GHMZBOCLSA-N 2 2 250.408 0.597 20 0 CCADLP CC(C)[N@@H+]1CCCN(CC[NH+]2CCOCC2)CC1 ZINC000336721748 355151113 /nfs/dbraw/zinc/15/11/13/355151113.db2.gz YAWSBJRUVORMPM-UHFFFAOYSA-N 2 2 255.406 0.735 20 0 CCADLP CC(C)[N@H+]1CCCN(CC[NH+]2CCOCC2)CC1 ZINC000336721748 355151122 /nfs/dbraw/zinc/15/11/22/355151122.db2.gz YAWSBJRUVORMPM-UHFFFAOYSA-N 2 2 255.406 0.735 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424194188 235173993 /nfs/dbraw/zinc/17/39/93/235173993.db2.gz RXIDZUIXYHGHPM-OPRDCNLKSA-N 2 2 261.316 0.203 20 0 CCADLP Cn1cc[nH+]c1N1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000558554801 291059855 /nfs/dbraw/zinc/05/98/55/291059855.db2.gz CCQLZEVOWDTCSU-UHFFFAOYSA-N 2 2 288.355 0.045 20 0 CCADLP CC(C)CCC[C@@H](C)NC(=O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000336817264 355191135 /nfs/dbraw/zinc/19/11/35/355191135.db2.gz PMQCKINQUCJLNR-OLZOCXBDSA-N 2 2 273.421 0.569 20 0 CCADLP CC(C)CCC[C@@H](C)NC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000336817264 355191136 /nfs/dbraw/zinc/19/11/36/355191136.db2.gz PMQCKINQUCJLNR-OLZOCXBDSA-N 2 2 273.421 0.569 20 0 CCADLP COCC[N@@H+]1CC[C@H](N[C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000336893972 355221179 /nfs/dbraw/zinc/22/11/79/355221179.db2.gz LIQGYNZJBSDKED-IHRRRGAJSA-N 2 2 255.406 0.637 20 0 CCADLP COCC[N@H+]1CC[C@H](N[C@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000336893972 355221184 /nfs/dbraw/zinc/22/11/84/355221184.db2.gz LIQGYNZJBSDKED-IHRRRGAJSA-N 2 2 255.406 0.637 20 0 CCADLP COCC[NH+]1CC[C@H](N[C@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000336893972 355221187 /nfs/dbraw/zinc/22/11/87/355221187.db2.gz LIQGYNZJBSDKED-IHRRRGAJSA-N 2 2 255.406 0.637 20 0 CCADLP COCC[NH+]1CC[C@H](N[C@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000336893972 355221189 /nfs/dbraw/zinc/22/11/89/355221189.db2.gz LIQGYNZJBSDKED-IHRRRGAJSA-N 2 2 255.406 0.637 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000338328268 355322683 /nfs/dbraw/zinc/32/26/83/355322683.db2.gz ZVBPHHNKCVVGEU-DGCLKSJQSA-N 2 2 289.445 0.198 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000338328268 355322685 /nfs/dbraw/zinc/32/26/85/355322685.db2.gz ZVBPHHNKCVVGEU-DGCLKSJQSA-N 2 2 289.445 0.198 20 0 CCADLP CNS(=O)(=O)CCC[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000337183484 355280089 /nfs/dbraw/zinc/28/00/89/355280089.db2.gz NPYQLJQAJASLDI-UONOGXRCSA-N 2 2 297.424 0.352 20 0 CCADLP CNS(=O)(=O)CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000337183484 355280091 /nfs/dbraw/zinc/28/00/91/355280091.db2.gz NPYQLJQAJASLDI-UONOGXRCSA-N 2 2 297.424 0.352 20 0 CCADLP [NH3+]C[C@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)C(F)(F)F ZINC000655515808 412608052 /nfs/dbraw/zinc/60/80/52/412608052.db2.gz QNRJMEZGNDFGPO-JTQLQIEISA-N 2 2 299.256 0.887 20 0 CCADLP COC(=O)C(C)(C)CC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000338546779 355366676 /nfs/dbraw/zinc/36/66/76/355366676.db2.gz KANMHKNGQSMIAM-UHFFFAOYSA-N 2 2 286.416 0.964 20 0 CCADLP COC(=O)C(C)(C)CC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000338546779 355366678 /nfs/dbraw/zinc/36/66/78/355366678.db2.gz KANMHKNGQSMIAM-UHFFFAOYSA-N 2 2 286.416 0.964 20 0 CCADLP CCc1oc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1C(=O)OC ZINC000338933647 355455529 /nfs/dbraw/zinc/45/55/29/355455529.db2.gz KPFJHTNWWWVLEX-OAHLLOKOSA-N 2 2 296.367 0.785 20 0 CCADLP CCc1oc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1C(=O)OC ZINC000338933647 355455532 /nfs/dbraw/zinc/45/55/32/355455532.db2.gz KPFJHTNWWWVLEX-OAHLLOKOSA-N 2 2 296.367 0.785 20 0 CCADLP CCc1oc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1C(=O)OC ZINC000338933377 355456196 /nfs/dbraw/zinc/45/61/96/355456196.db2.gz KPFJHTNWWWVLEX-HNNXBMFYSA-N 2 2 296.367 0.785 20 0 CCADLP CCc1oc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1C(=O)OC ZINC000338933377 355456200 /nfs/dbraw/zinc/45/62/00/355456200.db2.gz KPFJHTNWWWVLEX-HNNXBMFYSA-N 2 2 296.367 0.785 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC000339090436 355485846 /nfs/dbraw/zinc/48/58/46/355485846.db2.gz HBXIHWGTYGDMSV-AWEZNQCLSA-N 2 2 294.399 0.580 20 0 CCADLP COCC[N@H+]1CCC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC000339090436 355485849 /nfs/dbraw/zinc/48/58/49/355485849.db2.gz HBXIHWGTYGDMSV-AWEZNQCLSA-N 2 2 294.399 0.580 20 0 CCADLP CC1(C)OCC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000340235147 355534688 /nfs/dbraw/zinc/53/46/88/355534688.db2.gz DCVYYICRMGTABL-RYUDHWBXSA-N 2 2 269.389 0.483 20 0 CCADLP CC1(C)OCC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000340235147 355534693 /nfs/dbraw/zinc/53/46/93/355534693.db2.gz DCVYYICRMGTABL-RYUDHWBXSA-N 2 2 269.389 0.483 20 0 CCADLP C[C@@H]1C[C@@H]1CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340256667 355539301 /nfs/dbraw/zinc/53/93/01/355539301.db2.gz YWXWHXWMPYXZPN-CHWSQXEVSA-N 2 2 282.432 0.968 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)[C@@]1(C)CCCO1 ZINC000340479272 355559161 /nfs/dbraw/zinc/55/91/61/355559161.db2.gz PMGCJFFXQLXZCO-GZBFAFLISA-N 2 2 283.416 0.873 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)[C@@]1(C)CCCO1 ZINC000340479272 355559166 /nfs/dbraw/zinc/55/91/66/355559166.db2.gz PMGCJFFXQLXZCO-GZBFAFLISA-N 2 2 283.416 0.873 20 0 CCADLP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](CCOC)C1 ZINC000341580194 355697693 /nfs/dbraw/zinc/69/76/93/355697693.db2.gz ACBBPJVSXDZMLN-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](CCOC)C1 ZINC000341580194 355697697 /nfs/dbraw/zinc/69/76/97/355697697.db2.gz ACBBPJVSXDZMLN-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000426495669 235339788 /nfs/dbraw/zinc/33/97/88/235339788.db2.gz LMNVJLJSTFOEDT-TZMCWYRMSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000426495669 235339792 /nfs/dbraw/zinc/33/97/92/235339792.db2.gz LMNVJLJSTFOEDT-TZMCWYRMSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000426495669 235339795 /nfs/dbraw/zinc/33/97/95/235339795.db2.gz LMNVJLJSTFOEDT-TZMCWYRMSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000426495669 235339799 /nfs/dbraw/zinc/33/97/99/235339799.db2.gz LMNVJLJSTFOEDT-TZMCWYRMSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000342254227 355728678 /nfs/dbraw/zinc/72/86/78/355728678.db2.gz SYZVNAKDCWWQSD-HZSPNIEDSA-N 2 2 281.400 0.402 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@H]1CCC[N@H+]1C ZINC000342254227 355728681 /nfs/dbraw/zinc/72/86/81/355728681.db2.gz SYZVNAKDCWWQSD-HZSPNIEDSA-N 2 2 281.400 0.402 20 0 CCADLP CN(C)C(=O)c1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)[nH]1 ZINC000427136820 235353585 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ZINC000353573824 356251973 /nfs/dbraw/zinc/25/19/73/356251973.db2.gz BJDSHTHDYZKMRG-TZMCWYRMSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000353573824 356251976 /nfs/dbraw/zinc/25/19/76/356251976.db2.gz BJDSHTHDYZKMRG-TZMCWYRMSA-N 2 2 269.389 0.213 20 0 CCADLP CCCC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000353589743 356255824 /nfs/dbraw/zinc/25/58/24/356255824.db2.gz NENMEWJCDUEEBI-GFCCVEGCSA-N 2 2 271.405 0.731 20 0 CCADLP CCCC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000353589743 356255828 /nfs/dbraw/zinc/25/58/28/356255828.db2.gz NENMEWJCDUEEBI-GFCCVEGCSA-N 2 2 271.405 0.731 20 0 CCADLP COCC[NH+]1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000273539345 192193342 /nfs/dbraw/zinc/19/33/42/192193342.db2.gz AINZBFKGFNBRIQ-UHFFFAOYSA-N 2 2 292.383 0.552 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](CO)C2CCOCC2)C1 ZINC000360813988 138011847 /nfs/dbraw/zinc/01/18/47/138011847.db2.gz IVCFBVKCPUSPGO-IACUBPJLSA-N 2 2 256.390 0.704 20 0 CCADLP 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BOQNQJSMAHGDJS-KBPBESRZSA-N 2 2 285.432 0.977 20 0 CCADLP COC[C@H](CC(C)C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000361219200 138025461 /nfs/dbraw/zinc/02/54/61/138025461.db2.gz BOQNQJSMAHGDJS-KBPBESRZSA-N 2 2 285.432 0.977 20 0 CCADLP Cc1cc[nH+]cc1N1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000361394853 138034362 /nfs/dbraw/zinc/03/43/62/138034362.db2.gz IUWQRIJZVRSRSB-ZIAGYGMSSA-N 2 2 263.341 0.272 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000362396264 138056974 /nfs/dbraw/zinc/05/69/74/138056974.db2.gz NGXZPAWDTJJZIA-CYBMUJFWSA-N 2 2 260.341 0.140 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000362573875 138064861 /nfs/dbraw/zinc/06/48/61/138064861.db2.gz YAIHKMCMKFUTBB-AAEUAGOBSA-N 2 2 276.384 0.962 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000362573875 138064862 /nfs/dbraw/zinc/06/48/62/138064862.db2.gz YAIHKMCMKFUTBB-AAEUAGOBSA-N 2 2 276.384 0.962 20 0 CCADLP COCCCCC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362832460 138076291 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Cc1ncsc1C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362696707 138070275 /nfs/dbraw/zinc/07/02/75/138070275.db2.gz DTFJMWXKVSOYQO-LBPRGKRZSA-N 2 2 294.424 0.848 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000362726067 138071999 /nfs/dbraw/zinc/07/19/99/138071999.db2.gz UBLOXOSQVNAVAL-FRRDWIJNSA-N 2 2 269.389 0.021 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000362726067 138072000 /nfs/dbraw/zinc/07/20/00/138072000.db2.gz UBLOXOSQVNAVAL-FRRDWIJNSA-N 2 2 269.389 0.021 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000362726067 138072001 /nfs/dbraw/zinc/07/20/01/138072001.db2.gz UBLOXOSQVNAVAL-FRRDWIJNSA-N 2 2 269.389 0.021 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000362726067 138072002 /nfs/dbraw/zinc/07/20/02/138072002.db2.gz UBLOXOSQVNAVAL-FRRDWIJNSA-N 2 2 269.389 0.021 20 0 CCADLP c1cn(CCC[N@@H+]2CCN3CCOC[C@@H]3C2)c[nH+]1 ZINC000363798023 138093353 /nfs/dbraw/zinc/09/33/53/138093353.db2.gz WTNHODCOEZGNLN-ZDUSSCGKSA-N 2 2 250.346 0.290 20 0 CCADLP c1cn(CCC[N@H+]2CCN3CCOC[C@@H]3C2)c[nH+]1 ZINC000363798023 138093354 /nfs/dbraw/zinc/09/33/54/138093354.db2.gz WTNHODCOEZGNLN-ZDUSSCGKSA-N 2 2 250.346 0.290 20 0 CCADLP CC(C)n1nccc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000354653408 356465365 /nfs/dbraw/zinc/46/53/65/356465365.db2.gz RWKOZVWORXQMEY-CYBMUJFWSA-N 2 2 252.362 0.620 20 0 CCADLP CC(C)n1nccc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000354653408 356465370 /nfs/dbraw/zinc/46/53/70/356465370.db2.gz RWKOZVWORXQMEY-CYBMUJFWSA-N 2 2 252.362 0.620 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157499 363474791 /nfs/dbraw/zinc/47/47/91/363474791.db2.gz XBOUNYJBHMBGJD-NWDGAFQWSA-N 2 2 293.371 0.754 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157499 363474796 /nfs/dbraw/zinc/47/47/96/363474796.db2.gz XBOUNYJBHMBGJD-NWDGAFQWSA-N 2 2 293.371 0.754 20 0 CCADLP CCC[N@H+](CC)C[C@@H](C)N[C@H]1CC[NH2+][C@@H]1C(=O)OCC ZINC000423138343 283180084 /nfs/dbraw/zinc/18/00/84/283180084.db2.gz IWEWZOPDUMKBFX-RDBSUJKOSA-N 2 2 285.432 0.990 20 0 CCADLP CCC[N@@H+](CC)C[C@@H](C)N[C@H]1CC[NH2+][C@@H]1C(=O)OCC ZINC000423138343 283180085 /nfs/dbraw/zinc/18/00/85/283180085.db2.gz IWEWZOPDUMKBFX-RDBSUJKOSA-N 2 2 285.432 0.990 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157360 363475727 /nfs/dbraw/zinc/47/57/27/363475727.db2.gz FZVLSIYCIKXYDC-NXEZZACHSA-N 2 2 265.317 0.103 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157360 363475731 /nfs/dbraw/zinc/47/57/31/363475731.db2.gz FZVLSIYCIKXYDC-NXEZZACHSA-N 2 2 265.317 0.103 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H](O)COc1ccccc1 ZINC000532451906 358511202 /nfs/dbraw/zinc/51/12/02/358511202.db2.gz IGPHPVMDIHCTRA-VNHYZAJKSA-N 2 2 264.369 0.966 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H](O)COc1ccccc1 ZINC000532451906 358511205 /nfs/dbraw/zinc/51/12/05/358511205.db2.gz IGPHPVMDIHCTRA-VNHYZAJKSA-N 2 2 264.369 0.966 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCC1CC[NH+](C)CC1 ZINC000356282907 356739204 /nfs/dbraw/zinc/73/92/04/356739204.db2.gz QFAQFYUWFWFBRC-ZDUSSCGKSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCC1CC[NH+](C)CC1 ZINC000356282907 356739207 /nfs/dbraw/zinc/73/92/07/356739207.db2.gz QFAQFYUWFWFBRC-ZDUSSCGKSA-N 2 2 298.431 0.348 20 0 CCADLP COC(=O)CNC(=O)[C@@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000532479535 358511917 /nfs/dbraw/zinc/51/19/17/358511917.db2.gz DJFQELAPLSKYDZ-GFCCVEGCSA-N 2 2 285.388 0.082 20 0 CCADLP COC(=O)CNC(=O)[C@@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000532479535 358511922 /nfs/dbraw/zinc/51/19/22/358511922.db2.gz DJFQELAPLSKYDZ-GFCCVEGCSA-N 2 2 285.388 0.082 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000357781139 356772609 /nfs/dbraw/zinc/77/26/09/356772609.db2.gz ODGUWRPHDJTLKD-QWHCGFSZSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000357781139 356772612 /nfs/dbraw/zinc/77/26/12/356772612.db2.gz ODGUWRPHDJTLKD-QWHCGFSZSA-N 2 2 281.400 0.308 20 0 CCADLP Cc1ccccc1CNC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359269826 356789883 /nfs/dbraw/zinc/78/98/83/356789883.db2.gz CZODUVZRCUCBCS-GASCZTMLSA-N 2 2 273.380 0.762 20 0 CCADLP Cc1ccccc1CNC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359269826 356789885 /nfs/dbraw/zinc/78/98/85/356789885.db2.gz CZODUVZRCUCBCS-GASCZTMLSA-N 2 2 273.380 0.762 20 0 CCADLP C[C@H](C(=O)NCCc1cccs1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359275097 356791296 /nfs/dbraw/zinc/79/12/96/356791296.db2.gz BUHIRVNGMJAVCY-UPJWGTAASA-N 2 2 293.436 0.947 20 0 CCADLP C[C@H](C(=O)NCCc1cccs1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359275097 356791298 /nfs/dbraw/zinc/79/12/98/356791298.db2.gz BUHIRVNGMJAVCY-UPJWGTAASA-N 2 2 293.436 0.947 20 0 CCADLP O=C(CCCC[NH+]1CCOCC1)N1CCn2c[nH+]cc2C1 ZINC000359465461 356826878 /nfs/dbraw/zinc/82/68/78/356826878.db2.gz VSQKIVXGFTWTRG-UHFFFAOYSA-N 2 2 292.383 0.728 20 0 CCADLP C[C@@H](CN1CCCC1=O)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655697442 412645008 /nfs/dbraw/zinc/64/50/08/412645008.db2.gz PTBCPYXOFUQADJ-DZGCQCFKSA-N 2 2 295.427 0.840 20 0 CCADLP CC[C@H](C(=O)NCC[N@@H+]1CCO[C@H](C)C1)[NH+](C)C ZINC000532473608 358512406 /nfs/dbraw/zinc/51/24/06/358512406.db2.gz XYUZDWIRNPHGOP-VXGBXAGGSA-N 2 2 257.378 0.164 20 0 CCADLP CC[C@H](C(=O)NCC[N@H+]1CCO[C@H](C)C1)[NH+](C)C ZINC000532473608 358512410 /nfs/dbraw/zinc/51/24/10/358512410.db2.gz XYUZDWIRNPHGOP-VXGBXAGGSA-N 2 2 257.378 0.164 20 0 CCADLP C[C@@H]1CC[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CS1 ZINC000655701541 412647211 /nfs/dbraw/zinc/64/72/11/412647211.db2.gz GVFFYODRHAFADY-VXGBXAGGSA-N 2 2 271.430 0.634 20 0 CCADLP Cn1ncc2c1nc(N[C@@H]1CC[N@@H+]3CCC[C@H]3C1)[nH+]c2N ZINC000365051263 357135085 /nfs/dbraw/zinc/13/50/85/357135085.db2.gz GOFLHXHPTJUIAT-ZJUUUORDSA-N 2 2 287.371 0.406 20 0 CCADLP Cn1ncc2c1nc(N[C@@H]1CC[N@H+]3CCC[C@H]3C1)[nH+]c2N ZINC000365051263 357135089 /nfs/dbraw/zinc/13/50/89/357135089.db2.gz GOFLHXHPTJUIAT-ZJUUUORDSA-N 2 2 287.371 0.406 20 0 CCADLP COCCN1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655710441 412650386 /nfs/dbraw/zinc/65/03/86/412650386.db2.gz AYYPHCSOCDJMMG-HOTGVXAUSA-N 2 2 297.443 0.550 20 0 CCADLP O=C(NCCc1cn2ccccc2[nH+]1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000364598809 357123912 /nfs/dbraw/zinc/12/39/12/357123912.db2.gz IUDWXYVIJHGRLS-XJKSGUPXSA-N 2 2 284.363 0.993 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000376092730 357431350 /nfs/dbraw/zinc/43/13/50/357431350.db2.gz AQEQXUGDZKJDJN-NWDGAFQWSA-N 2 2 284.404 0.637 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000376092730 357431354 /nfs/dbraw/zinc/43/13/54/357431354.db2.gz AQEQXUGDZKJDJN-NWDGAFQWSA-N 2 2 284.404 0.637 20 0 CCADLP CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000376426412 357466909 /nfs/dbraw/zinc/46/69/09/357466909.db2.gz LHBDIITWINSJEL-SNVBAGLBSA-N 2 2 279.344 0.055 20 0 CCADLP CNC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000376426412 357466912 /nfs/dbraw/zinc/46/69/12/357466912.db2.gz LHBDIITWINSJEL-SNVBAGLBSA-N 2 2 279.344 0.055 20 0 CCADLP CCN(C)C(=O)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655756121 412656445 /nfs/dbraw/zinc/65/64/45/412656445.db2.gz OJBLORRHBZYASM-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP COCC[C@@H](COC)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655769692 412658505 /nfs/dbraw/zinc/65/85/05/412658505.db2.gz LZQOSMKXWHKNBE-LSDHHAIUSA-N 2 2 286.416 0.881 20 0 CCADLP C[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449397624 236032843 /nfs/dbraw/zinc/03/28/43/236032843.db2.gz QZSYMHSUHHKKOO-MGPQQGTHSA-N 2 2 256.390 0.848 20 0 CCADLP C[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449397624 236032845 /nfs/dbraw/zinc/03/28/45/236032845.db2.gz QZSYMHSUHHKKOO-MGPQQGTHSA-N 2 2 256.390 0.848 20 0 CCADLP CC[C@@H](C)[C@H](NC(=O)C[N@H+](C)C1CC([NH3+])C1)C(=O)OC ZINC000384709627 357721806 /nfs/dbraw/zinc/72/18/06/357721806.db2.gz DCSBDLKLAOGUIX-PGHLRGPGSA-N 2 2 285.388 0.112 20 0 CCADLP CC[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C1CC([NH3+])C1)C(=O)OC ZINC000384709627 357721809 /nfs/dbraw/zinc/72/18/09/357721809.db2.gz DCSBDLKLAOGUIX-PGHLRGPGSA-N 2 2 285.388 0.112 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000385119955 357724287 /nfs/dbraw/zinc/72/42/87/357724287.db2.gz VUQGCNMHZUEFOW-IJLUTSLNSA-N 2 2 275.418 0.080 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000385119955 357724292 /nfs/dbraw/zinc/72/42/92/357724292.db2.gz VUQGCNMHZUEFOW-IJLUTSLNSA-N 2 2 275.418 0.080 20 0 CCADLP Nc1nc(-n2cccn2)cc(N2CCC[N@@H+]3CCC[C@H]3C2)[nH+]1 ZINC000378417450 357679693 /nfs/dbraw/zinc/67/96/93/357679693.db2.gz WBJJIJATKVEIQH-LBPRGKRZSA-N 2 2 299.382 0.749 20 0 CCADLP Nc1nc(-n2cccn2)cc(N2CCC[N@H+]3CCC[C@H]3C2)[nH+]1 ZINC000378417450 357679697 /nfs/dbraw/zinc/67/96/97/357679697.db2.gz WBJJIJATKVEIQH-LBPRGKRZSA-N 2 2 299.382 0.749 20 0 CCADLP Cn1cccc1C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449393145 236031485 /nfs/dbraw/zinc/03/14/85/236031485.db2.gz LLMCVBWYFFUINQ-CQSZACIVSA-N 2 2 251.374 0.962 20 0 CCADLP Cn1cccc1C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449393145 236031486 /nfs/dbraw/zinc/03/14/86/236031486.db2.gz LLMCVBWYFFUINQ-CQSZACIVSA-N 2 2 251.374 0.962 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)CCc1ccncc1 ZINC000381317177 357708603 /nfs/dbraw/zinc/70/86/03/357708603.db2.gz FGDXVMNGHMVNPC-AWEZNQCLSA-N 2 2 251.374 0.869 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCc1ccncc1 ZINC000381317177 357708607 /nfs/dbraw/zinc/70/86/07/357708607.db2.gz FGDXVMNGHMVNPC-AWEZNQCLSA-N 2 2 251.374 0.869 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)CCc1ccncc1 ZINC000381317177 357708611 /nfs/dbraw/zinc/70/86/11/357708611.db2.gz FGDXVMNGHMVNPC-AWEZNQCLSA-N 2 2 251.374 0.869 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCc1ccncc1 ZINC000381317177 357708614 /nfs/dbraw/zinc/70/86/14/357708614.db2.gz FGDXVMNGHMVNPC-AWEZNQCLSA-N 2 2 251.374 0.869 20 0 CCADLP CC[NH+](CC)[C@H]1CCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000394426918 357756557 /nfs/dbraw/zinc/75/65/57/357756557.db2.gz VOIURYVGBUTMOZ-JTQLQIEISA-N 2 2 250.350 0.513 20 0 CCADLP C[N@@H+]1CCN(C(=O)C2CCSCC2)[C@H](C[NH3+])C1 ZINC000401724561 357804790 /nfs/dbraw/zinc/80/47/90/357804790.db2.gz ZQHZQMDGGLEAPX-LLVKDONJSA-N 2 2 257.403 0.231 20 0 CCADLP C[N@H+]1CCN(C(=O)C2CCSCC2)[C@H](C[NH3+])C1 ZINC000401724561 357804796 /nfs/dbraw/zinc/80/47/96/357804796.db2.gz ZQHZQMDGGLEAPX-LLVKDONJSA-N 2 2 257.403 0.231 20 0 CCADLP CN(C(=O)CO)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000450353274 236082637 /nfs/dbraw/zinc/08/26/37/236082637.db2.gz FBHJRTSHMQBVGJ-CABCVRRESA-N 2 2 297.443 0.774 20 0 CCADLP CN(C(=O)CO)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000450353274 236082639 /nfs/dbraw/zinc/08/26/39/236082639.db2.gz FBHJRTSHMQBVGJ-CABCVRRESA-N 2 2 297.443 0.774 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(S(C)(=O)=O)C2)C[N@@H+]1C1CC1 ZINC000400112897 357786638 /nfs/dbraw/zinc/78/66/38/357786638.db2.gz GSEJHGQZPPFBKS-UTUOFQBUSA-N 2 2 287.429 0.235 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(S(C)(=O)=O)C2)C[N@H+]1C1CC1 ZINC000400112897 357786641 /nfs/dbraw/zinc/78/66/41/357786641.db2.gz GSEJHGQZPPFBKS-UTUOFQBUSA-N 2 2 287.429 0.235 20 0 CCADLP C[C@@H]1C[N@H+](CCO)CCN1c1cc[nH+]c(N(C)C)n1 ZINC000450949826 236124208 /nfs/dbraw/zinc/12/42/08/236124208.db2.gz BMGKRYNCBACHEV-LLVKDONJSA-N 2 2 265.361 0.045 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)CCN1c1cc[nH+]c(N(C)C)n1 ZINC000450949826 236124211 /nfs/dbraw/zinc/12/42/11/236124211.db2.gz BMGKRYNCBACHEV-LLVKDONJSA-N 2 2 265.361 0.045 20 0 CCADLP CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+]1CCOCC1 ZINC000561105220 291116751 /nfs/dbraw/zinc/11/67/51/291116751.db2.gz CKVBWBMKGPWLAW-GJZGRUSLSA-N 2 2 297.443 0.801 20 0 CCADLP CC(C)[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH+]1CCOCC1 ZINC000561105220 291116754 /nfs/dbraw/zinc/11/67/54/291116754.db2.gz CKVBWBMKGPWLAW-GJZGRUSLSA-N 2 2 297.443 0.801 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000561112942 291117244 /nfs/dbraw/zinc/11/72/44/291117244.db2.gz HJJPJDIKGKTGGJ-UHFFFAOYSA-N 2 2 253.390 0.881 20 0 CCADLP CO[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)CC1(C)C ZINC000451548875 236167164 /nfs/dbraw/zinc/16/71/64/236167164.db2.gz GHIAEQSBWABIEK-ZDUSSCGKSA-N 2 2 283.416 0.507 20 0 CCADLP CO[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)CC1(C)C ZINC000451548875 236167167 /nfs/dbraw/zinc/16/71/67/236167167.db2.gz GHIAEQSBWABIEK-ZDUSSCGKSA-N 2 2 283.416 0.507 20 0 CCADLP C[NH+]1CCC(CNC(=O)CO)([NH+]2CCCCC2)CC1 ZINC000408455451 358104249 /nfs/dbraw/zinc/10/42/49/358104249.db2.gz YMDXZNRPVBQAGK-UHFFFAOYSA-N 2 2 269.389 0.045 20 0 CCADLP C[C@]1(F)C[NH2+]CCN(C(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000336212462 213034174 /nfs/dbraw/zinc/03/41/74/213034174.db2.gz YSIRKRIRVDSFFX-OCCSQVGLSA-N 2 2 265.332 0.846 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC000420356048 358180469 /nfs/dbraw/zinc/18/04/69/358180469.db2.gz CKRNFOLUBCSMDI-FOGDFJRCSA-N 2 2 284.404 0.587 20 0 CCADLP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420351823 358180681 /nfs/dbraw/zinc/18/06/81/358180681.db2.gz LBUFPGNMPKYKFI-MJBXVCDLSA-N 2 2 293.411 0.812 20 0 CCADLP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420351823 358180685 /nfs/dbraw/zinc/18/06/85/358180685.db2.gz LBUFPGNMPKYKFI-MJBXVCDLSA-N 2 2 293.411 0.812 20 0 CCADLP C[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@H]1C)CN1CC[NH+](C)CC1 ZINC000422720878 358192724 /nfs/dbraw/zinc/19/27/24/358192724.db2.gz UBEAHRONBTYIJZ-RBSFLKMASA-N 3 2 268.449 0.458 20 0 CCADLP CCS(=O)(=O)CCC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423173814 358196989 /nfs/dbraw/zinc/19/69/89/358196989.db2.gz ADNZUXVNJLYTQP-VXGBXAGGSA-N 2 2 262.419 0.931 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)C[C@@H]1C ZINC000423398402 358200796 /nfs/dbraw/zinc/20/07/96/358200796.db2.gz VIRHIDVWHGLIGT-IHRRRGAJSA-N 2 2 283.416 0.554 20 0 CCADLP COCC[N@H+]1CCN(C(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)C[C@@H]1C ZINC000423398402 358200802 /nfs/dbraw/zinc/20/08/02/358200802.db2.gz VIRHIDVWHGLIGT-IHRRRGAJSA-N 2 2 283.416 0.554 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC(C)(C)C)C1 ZINC000430933929 358229644 /nfs/dbraw/zinc/22/96/44/358229644.db2.gz MXLCNXZMQKDCMT-WDEREUQCSA-N 2 2 284.404 0.541 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NC(C)(C)C)C1 ZINC000430933929 358229646 /nfs/dbraw/zinc/22/96/46/358229646.db2.gz MXLCNXZMQKDCMT-WDEREUQCSA-N 2 2 284.404 0.541 20 0 CCADLP C[N@H+](CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)C1CC1 ZINC000496602232 358325419 /nfs/dbraw/zinc/32/54/19/358325419.db2.gz FIZVAWZUFVNXKL-CQSZACIVSA-N 2 2 265.357 0.955 20 0 CCADLP C[N@@H+](CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)C1CC1 ZINC000496602232 358325423 /nfs/dbraw/zinc/32/54/23/358325423.db2.gz FIZVAWZUFVNXKL-CQSZACIVSA-N 2 2 265.357 0.955 20 0 CCADLP C[NH2+][C@@H](C)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000516663171 358340664 /nfs/dbraw/zinc/34/06/64/358340664.db2.gz GJEQBDLJUKILHB-JTQLQIEISA-N 2 2 250.346 0.786 20 0 CCADLP C([NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)C12CC(C1)CO2 ZINC000530219945 358380581 /nfs/dbraw/zinc/38/05/81/358380581.db2.gz LPCMZCLEAPZORC-ATDZDNBSSA-N 2 2 252.358 0.522 20 0 CCADLP CCn1ncc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)n1 ZINC000530242223 358385225 /nfs/dbraw/zinc/38/52/25/358385225.db2.gz OCFZYZNKMQNAAW-HNNXBMFYSA-N 2 2 293.415 0.889 20 0 CCADLP CCOC(=O)c1c[nH+]ccc1NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000530475039 358401830 /nfs/dbraw/zinc/40/18/30/358401830.db2.gz YGKFSAANQQBIDB-LBPRGKRZSA-N 2 2 293.367 0.813 20 0 CCADLP CCOC(=O)c1c[nH+]ccc1NCC[N@H+]1CCO[C@@H](C)C1 ZINC000530475039 358401831 /nfs/dbraw/zinc/40/18/31/358401831.db2.gz YGKFSAANQQBIDB-LBPRGKRZSA-N 2 2 293.367 0.813 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2[nH+]ccn2C)C1 ZINC000567749575 358581133 /nfs/dbraw/zinc/58/11/33/358581133.db2.gz OSFQBEKBCYIPSW-LLVKDONJSA-N 2 2 250.346 0.720 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2[nH+]ccn2C)C1 ZINC000567749575 358581134 /nfs/dbraw/zinc/58/11/34/358581134.db2.gz OSFQBEKBCYIPSW-LLVKDONJSA-N 2 2 250.346 0.720 20 0 CCADLP CO[C@H](C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000565534609 358561833 /nfs/dbraw/zinc/56/18/33/358561833.db2.gz BSXWQZHXHSCHEN-MYZSUADSSA-N 2 2 286.416 0.471 20 0 CCADLP CO[C@H](C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000565534609 358561837 /nfs/dbraw/zinc/56/18/37/358561837.db2.gz BSXWQZHXHSCHEN-MYZSUADSSA-N 2 2 286.416 0.471 20 0 CCADLP COCC[N@@H+]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000568190923 358644001 /nfs/dbraw/zinc/64/40/01/358644001.db2.gz SZLMFNOVNJXPAX-ZDUSSCGKSA-N 2 2 294.399 0.769 20 0 CCADLP COCC[N@H+]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000568190923 358644002 /nfs/dbraw/zinc/64/40/02/358644002.db2.gz SZLMFNOVNJXPAX-ZDUSSCGKSA-N 2 2 294.399 0.769 20 0 CCADLP COCC[N@@H+]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000568190923 358644003 /nfs/dbraw/zinc/64/40/03/358644003.db2.gz SZLMFNOVNJXPAX-ZDUSSCGKSA-N 2 2 294.399 0.769 20 0 CCADLP COCC[N@H+]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000568190923 358644004 /nfs/dbraw/zinc/64/40/04/358644004.db2.gz SZLMFNOVNJXPAX-ZDUSSCGKSA-N 2 2 294.399 0.769 20 0 CCADLP CC(C)n1nccc1NC(=O)[C@H](C)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000567990396 358623569 /nfs/dbraw/zinc/62/35/69/358623569.db2.gz ZBXNVNZLLJFHAD-QWRGUYRKSA-N 2 2 283.376 0.042 20 0 CCADLP CC(C)n1nccc1NC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000567990396 358623571 /nfs/dbraw/zinc/62/35/71/358623571.db2.gz ZBXNVNZLLJFHAD-QWRGUYRKSA-N 2 2 283.376 0.042 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(N(C)C(C)=O)CC1 ZINC000568169073 358639708 /nfs/dbraw/zinc/63/97/08/358639708.db2.gz ASEOBQMWNVIDCN-CQSZACIVSA-N 2 2 271.405 0.242 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(N(C)C(C)=O)CC1 ZINC000568169073 358639712 /nfs/dbraw/zinc/63/97/12/358639712.db2.gz ASEOBQMWNVIDCN-CQSZACIVSA-N 2 2 271.405 0.242 20 0 CCADLP C[C@H]1COCC[N@H+]1C1CC[NH+](C[C@H]2COCCO2)CC1 ZINC000568175617 358640980 /nfs/dbraw/zinc/64/09/80/358640980.db2.gz BYKSSKKHIJUCNN-ZFWWWQNUSA-N 2 2 284.400 0.587 20 0 CCADLP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000567802382 358588730 /nfs/dbraw/zinc/58/87/30/358588730.db2.gz VMMRLLHJPQWWCQ-ZFWWWQNUSA-N 2 2 290.411 0.357 20 0 CCADLP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000567802382 358588732 /nfs/dbraw/zinc/58/87/32/358588732.db2.gz VMMRLLHJPQWWCQ-ZFWWWQNUSA-N 2 2 290.411 0.357 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3cc(F)cc(F)c3)CCN2C1=O ZINC000568260690 358658816 /nfs/dbraw/zinc/65/88/16/358658816.db2.gz YIRPAHMIILNVTG-QWHCGFSZSA-N 2 2 281.306 0.709 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3cc(F)cc(F)c3)CCN2C1=O ZINC000568260690 358658818 /nfs/dbraw/zinc/65/88/18/358658818.db2.gz YIRPAHMIILNVTG-QWHCGFSZSA-N 2 2 281.306 0.709 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000568409644 358673127 /nfs/dbraw/zinc/67/31/27/358673127.db2.gz NTVXKSTZRVTEBT-SDDRHHMPSA-N 2 2 262.357 0.608 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000568409644 358673130 /nfs/dbraw/zinc/67/31/30/358673130.db2.gz NTVXKSTZRVTEBT-SDDRHHMPSA-N 2 2 262.357 0.608 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000568409644 358673136 /nfs/dbraw/zinc/67/31/36/358673136.db2.gz NTVXKSTZRVTEBT-SDDRHHMPSA-N 2 2 262.357 0.608 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000568409644 358673139 /nfs/dbraw/zinc/67/31/39/358673139.db2.gz NTVXKSTZRVTEBT-SDDRHHMPSA-N 2 2 262.357 0.608 20 0 CCADLP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC000568501672 358679203 /nfs/dbraw/zinc/67/92/03/358679203.db2.gz WMVCDZZPNJJPFX-HRCADAONSA-N 3 2 298.475 0.057 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](CO)c1ccccc1 ZINC000568996538 358723508 /nfs/dbraw/zinc/72/35/08/358723508.db2.gz JIJVXPLTORXACP-HOTGVXAUSA-N 2 2 296.411 0.591 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](CO)c1ccccc1 ZINC000568996538 358723510 /nfs/dbraw/zinc/72/35/10/358723510.db2.gz JIJVXPLTORXACP-HOTGVXAUSA-N 2 2 296.411 0.591 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](CO)c1ccccc1 ZINC000568996538 358723514 /nfs/dbraw/zinc/72/35/14/358723514.db2.gz JIJVXPLTORXACP-HOTGVXAUSA-N 2 2 296.411 0.591 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000569010762 358726813 /nfs/dbraw/zinc/72/68/13/358726813.db2.gz RBMHDVRHWYJCHI-NSHDSACASA-N 2 2 294.321 0.841 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000569010762 358726815 /nfs/dbraw/zinc/72/68/15/358726815.db2.gz RBMHDVRHWYJCHI-NSHDSACASA-N 2 2 294.321 0.841 20 0 CCADLP COCCN1CC[N@H+](CCCc2c[nH+]cn2C)CC1=O ZINC000569017564 358727994 /nfs/dbraw/zinc/72/79/94/358727994.db2.gz LYDMNDSONGSOJC-UHFFFAOYSA-N 2 2 280.372 0.143 20 0 CCADLP COCCN1CC[N@@H+](CCCc2c[nH+]cn2C)CC1=O ZINC000569017564 358727995 /nfs/dbraw/zinc/72/79/95/358727995.db2.gz LYDMNDSONGSOJC-UHFFFAOYSA-N 2 2 280.372 0.143 20 0 CCADLP CCOC[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000569588612 358776728 /nfs/dbraw/zinc/77/67/28/358776728.db2.gz PUHMAGZZPKYKSB-GJZGRUSLSA-N 2 2 288.432 0.674 20 0 CCADLP CCOC[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000569588612 358776730 /nfs/dbraw/zinc/77/67/30/358776730.db2.gz PUHMAGZZPKYKSB-GJZGRUSLSA-N 2 2 288.432 0.674 20 0 CCADLP CCOC[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000569588612 358776731 /nfs/dbraw/zinc/77/67/31/358776731.db2.gz PUHMAGZZPKYKSB-GJZGRUSLSA-N 2 2 288.432 0.674 20 0 CCADLP CCOC[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000569588612 358776733 /nfs/dbraw/zinc/77/67/33/358776733.db2.gz PUHMAGZZPKYKSB-GJZGRUSLSA-N 2 2 288.432 0.674 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CCO1 ZINC000569930808 358807017 /nfs/dbraw/zinc/80/70/17/358807017.db2.gz MKICPPOXIAURCK-QPSCCSFWSA-N 2 2 295.427 0.744 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CCO1 ZINC000569930808 358807022 /nfs/dbraw/zinc/80/70/22/358807022.db2.gz MKICPPOXIAURCK-QPSCCSFWSA-N 2 2 295.427 0.744 20 0 CCADLP C[C@H]1CC[C@@H](C[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)O1 ZINC000570510027 358863534 /nfs/dbraw/zinc/86/35/34/358863534.db2.gz UAXSBWQULHWYRQ-AHDPXTMNSA-N 2 2 286.416 0.614 20 0 CCADLP C[C@H]1CC[C@@H](C[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)O1 ZINC000570510027 358863539 /nfs/dbraw/zinc/86/35/39/358863539.db2.gz UAXSBWQULHWYRQ-AHDPXTMNSA-N 2 2 286.416 0.614 20 0 CCADLP Cc1cc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC000570225795 358836448 /nfs/dbraw/zinc/83/64/48/358836448.db2.gz CCNZLFSDAKFXSS-NEPJUHHUSA-N 2 2 289.383 0.657 20 0 CCADLP CC(C)OCC[C@@H](O)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000570325451 358845387 /nfs/dbraw/zinc/84/53/87/358845387.db2.gz KNVXCMIUQSDPTG-CHWSQXEVSA-N 2 2 267.373 0.964 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@H](C)[NH+]1CCN(C)CC1)[C@H](C)[NH3+] ZINC000570679457 358882942 /nfs/dbraw/zinc/88/29/42/358882942.db2.gz XGLQBHZRRKDJDW-IHRRRGAJSA-N 2 2 284.448 0.358 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]CCC(=O)Nc1cccnc1 ZINC000570803171 358897192 /nfs/dbraw/zinc/89/71/92/358897192.db2.gz IGLWOXZNHNMDHD-UHFFFAOYSA-N 2 2 280.372 0.314 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]CCC(=O)Nc1cccnc1 ZINC000570803171 358897197 /nfs/dbraw/zinc/89/71/97/358897197.db2.gz IGLWOXZNHNMDHD-UHFFFAOYSA-N 2 2 280.372 0.314 20 0 CCADLP c1c(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)onc1C1CC[NH2+]CC1 ZINC000570956709 358898436 /nfs/dbraw/zinc/89/84/36/358898436.db2.gz ORVPDAHWKWNKMP-IMRBUKKESA-N 3 2 262.357 0.449 20 0 CCADLP COc1c(N)[nH+]cnc1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000570986049 358901512 /nfs/dbraw/zinc/90/15/12/358901512.db2.gz ZDJQMNSZFVETRO-NSHDSACASA-N 2 2 277.372 0.918 20 0 CCADLP COc1c(N)[nH+]cnc1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000570986049 358901514 /nfs/dbraw/zinc/90/15/14/358901514.db2.gz ZDJQMNSZFVETRO-NSHDSACASA-N 2 2 277.372 0.918 20 0 CCADLP C[C@@H](CC(=O)NCC[N@@H+]1CCCOCC1)n1cc[nH+]c1 ZINC000571171828 358918724 /nfs/dbraw/zinc/91/87/24/358918724.db2.gz ZSIGZWCBYMKUMO-ZDUSSCGKSA-N 2 2 280.372 0.673 20 0 CCADLP C[C@@H](CC(=O)NCC[N@H+]1CCCOCC1)n1cc[nH+]c1 ZINC000571171828 358918725 /nfs/dbraw/zinc/91/87/25/358918725.db2.gz ZSIGZWCBYMKUMO-ZDUSSCGKSA-N 2 2 280.372 0.673 20 0 CCADLP COC1(C[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCC1 ZINC000573438557 358966850 /nfs/dbraw/zinc/96/68/50/358966850.db2.gz FVKNQOQLAKWJKG-MJBXVCDLSA-N 2 2 286.416 0.615 20 0 CCADLP COC1(C[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCC1 ZINC000573438557 358966854 /nfs/dbraw/zinc/96/68/54/358966854.db2.gz FVKNQOQLAKWJKG-MJBXVCDLSA-N 2 2 286.416 0.615 20 0 CCADLP CSC[C@H](C)[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000571197967 358922056 /nfs/dbraw/zinc/92/20/56/358922056.db2.gz CCCYBGPBKSGXKI-CYDGBPFRSA-N 2 2 276.446 0.798 20 0 CCADLP CS[C@H](C)C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000573317739 358956646 /nfs/dbraw/zinc/95/66/46/358956646.db2.gz UCAAFCCIWZFHAN-YVECIDJPSA-N 2 2 276.446 0.798 20 0 CCADLP CS[C@H](C)C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000573317739 358956647 /nfs/dbraw/zinc/95/66/47/358956647.db2.gz UCAAFCCIWZFHAN-YVECIDJPSA-N 2 2 276.446 0.798 20 0 CCADLP C[C@H](CNC(=O)[C@@H]([NH3+])c1cscn1)C[NH+]1CCCC1 ZINC000574036189 359021950 /nfs/dbraw/zinc/02/19/50/359021950.db2.gz KTWQPDBNWWZATL-PWSUYJOCSA-N 2 2 282.413 0.991 20 0 CCADLP CCNC(=O)CC[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000573740000 358995927 /nfs/dbraw/zinc/99/59/27/358995927.db2.gz DLXABSDUXZPJNT-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP CCNC(=O)CC[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000573740000 358995928 /nfs/dbraw/zinc/99/59/28/358995928.db2.gz DLXABSDUXZPJNT-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP Cc1nc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])sc1C ZINC000573786365 358999270 /nfs/dbraw/zinc/99/92/70/358999270.db2.gz BAVSAUVPWBTKCV-LLVKDONJSA-N 2 2 297.428 0.544 20 0 CCADLP Cc1nc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])sc1C ZINC000573786365 358999273 /nfs/dbraw/zinc/99/92/73/358999273.db2.gz BAVSAUVPWBTKCV-LLVKDONJSA-N 2 2 297.428 0.544 20 0 CCADLP C[C@]1(F)C[NH2+]CCN(C(=O)CC(F)(F)C[NH3+])C1 ZINC000577621296 359047646 /nfs/dbraw/zinc/04/76/46/359047646.db2.gz UUFYMZXGENOFCY-VIFPVBQESA-N 2 2 253.268 0.131 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CC(C)(C)OC)CC1 ZINC000573859488 359005793 /nfs/dbraw/zinc/00/57/93/359005793.db2.gz HTUCXHJPIQGAMN-ZDUSSCGKSA-N 2 2 285.432 0.896 20 0 CCADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)Cn1cc[nH+]c1 ZINC000580748364 359088302 /nfs/dbraw/zinc/08/83/02/359088302.db2.gz AUQDFEZFTZAVRR-LBPRGKRZSA-N 2 2 268.361 0.356 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000581019850 359121320 /nfs/dbraw/zinc/12/13/20/359121320.db2.gz NYEXCZWIGQRMDV-CRWXNKLISA-N 2 2 274.405 0.159 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000581019850 359121321 /nfs/dbraw/zinc/12/13/21/359121321.db2.gz NYEXCZWIGQRMDV-CRWXNKLISA-N 2 2 274.405 0.159 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000581019850 359121323 /nfs/dbraw/zinc/12/13/23/359121323.db2.gz NYEXCZWIGQRMDV-CRWXNKLISA-N 2 2 274.405 0.159 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000581019850 359121324 /nfs/dbraw/zinc/12/13/24/359121324.db2.gz NYEXCZWIGQRMDV-CRWXNKLISA-N 2 2 274.405 0.159 20 0 CCADLP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)C1 ZINC000584665303 359190199 /nfs/dbraw/zinc/19/01/99/359190199.db2.gz HWZRVCKHDICSSN-RYUDHWBXSA-N 3 2 278.404 0.631 20 0 CCADLP CCc1cc(N2CC[N@H+](C)C[C@H](C(=O)OC)C2)nc(C)[nH+]1 ZINC000584766720 359201504 /nfs/dbraw/zinc/20/15/04/359201504.db2.gz VAOPWKNYVTZMHK-LBPRGKRZSA-N 2 2 292.383 0.888 20 0 CCADLP CCc1cc(N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)nc(C)[nH+]1 ZINC000584766720 359201509 /nfs/dbraw/zinc/20/15/09/359201509.db2.gz VAOPWKNYVTZMHK-LBPRGKRZSA-N 2 2 292.383 0.888 20 0 CCADLP O=C(C[C@@H]1COCC[NH2+]1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000584836475 359214491 /nfs/dbraw/zinc/21/44/91/359214491.db2.gz MEYJYDSQQIYLGH-NEPJUHHUSA-N 2 2 278.356 0.842 20 0 CCADLP C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)nn1)[NH+](C)C ZINC000586750967 359282945 /nfs/dbraw/zinc/28/29/45/359282945.db2.gz GLYDRWZNDYNOOD-SNVBAGLBSA-N 2 2 274.328 0.342 20 0 CCADLP O[C@@H](C[NH2+]CCc1cn2c([nH+]1)CCCC2)Cn1cccn1 ZINC000562986408 291178017 /nfs/dbraw/zinc/17/80/17/291178017.db2.gz ATZJXGHEGFAWME-AWEZNQCLSA-N 2 2 289.383 0.609 20 0 CCADLP Cn1cc[nH+]c1CN1CCN(C(=O)/C=C\C[NH+](C)C)CC1 ZINC000491889988 237017344 /nfs/dbraw/zinc/01/73/44/237017344.db2.gz XELDCDYQLXZEFT-PLNGDYQASA-N 2 2 291.399 0.182 20 0 CCADLP Cc1ccncc1C[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000563001324 291180593 /nfs/dbraw/zinc/18/05/93/291180593.db2.gz SZZYBKZIRFPQNC-DZKIICNBSA-N 2 2 293.411 0.950 20 0 CCADLP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1nccn1C ZINC000330696383 299291637 /nfs/dbraw/zinc/29/16/37/299291637.db2.gz DQUSFUFAXUFDQC-LBPRGKRZSA-N 2 2 266.389 0.918 20 0 CCADLP CC(C)SCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000591357958 359582540 /nfs/dbraw/zinc/58/25/40/359582540.db2.gz DOINCOZMTCTWSI-NSHDSACASA-N 2 2 274.434 0.412 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@H]([NH3+])c2ccccc2C)CC1 ZINC000296813657 200005221 /nfs/dbraw/zinc/00/52/21/200005221.db2.gz NEJORVLPBQGRAO-OAHLLOKOSA-N 2 2 291.395 0.785 20 0 CCADLP CN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1C[NH+]2CCC1CC2 ZINC000492758436 237287683 /nfs/dbraw/zinc/28/76/83/237287683.db2.gz ALPUGRSJTPUCON-XQJDBVBESA-N 2 2 260.341 0.976 20 0 CCADLP O=C1CCC(=O)N1CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591868097 359668400 /nfs/dbraw/zinc/66/84/00/359668400.db2.gz WKXUIIIKVMEWKK-GFCCVEGCSA-N 2 2 276.340 0.669 20 0 CCADLP O=C1CCC(=O)N1CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591868097 359668403 /nfs/dbraw/zinc/66/84/03/359668403.db2.gz WKXUIIIKVMEWKK-GFCCVEGCSA-N 2 2 276.340 0.669 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000297224408 200119262 /nfs/dbraw/zinc/11/92/62/200119262.db2.gz XXIGWDSDFNKCOZ-ZDUSSCGKSA-N 2 2 279.388 0.232 20 0 CCADLP COC(=O)[C@@H]1C[C@H](O)C[N@H+](CCn2cc[nH+]c2C)C1 ZINC000592194960 359785451 /nfs/dbraw/zinc/78/54/51/359785451.db2.gz IFBLMQIZYDPZMV-NEPJUHHUSA-N 2 2 267.329 0.047 20 0 CCADLP COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000592194960 359785453 /nfs/dbraw/zinc/78/54/53/359785453.db2.gz IFBLMQIZYDPZMV-NEPJUHHUSA-N 2 2 267.329 0.047 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCOc2ccccc2F)[C@H](C[NH3+])C1 ZINC000563152860 291200104 /nfs/dbraw/zinc/20/01/04/291200104.db2.gz OMGAVBKFVTWHRV-GFCCVEGCSA-N 2 2 295.358 0.696 20 0 CCADLP C[N@H+]1CCN(C(=O)CCOc2ccccc2F)[C@H](C[NH3+])C1 ZINC000563152860 291200105 /nfs/dbraw/zinc/20/01/05/291200105.db2.gz OMGAVBKFVTWHRV-GFCCVEGCSA-N 2 2 295.358 0.696 20 0 CCADLP COC(=O)c1ccccc1NC(=O)C[N@H+](C)CCC[NH3+] ZINC000592473911 359850055 /nfs/dbraw/zinc/85/00/55/359850055.db2.gz USCODPKQQDHVHH-UHFFFAOYSA-N 2 2 279.340 0.692 20 0 CCADLP COC(=O)c1ccccc1NC(=O)C[N@@H+](C)CCC[NH3+] ZINC000592473911 359850060 /nfs/dbraw/zinc/85/00/60/359850060.db2.gz USCODPKQQDHVHH-UHFFFAOYSA-N 2 2 279.340 0.692 20 0 CCADLP C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+](C)CCC[NH3+] ZINC000592473758 359850071 /nfs/dbraw/zinc/85/00/71/359850071.db2.gz MMOSUHPCFGSFMW-NWDGAFQWSA-N 2 2 284.404 0.672 20 0 CCADLP C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+](C)CCC[NH3+] ZINC000592473758 359850076 /nfs/dbraw/zinc/85/00/76/359850076.db2.gz MMOSUHPCFGSFMW-NWDGAFQWSA-N 2 2 284.404 0.672 20 0 CCADLP COC(=O)[C@H](COC(C)C)[N@H+](C)CCn1cc[nH+]c1 ZINC000611225154 363688137 /nfs/dbraw/zinc/68/81/37/363688137.db2.gz KWODINAYHHPSCV-LBPRGKRZSA-N 2 2 269.345 0.782 20 0 CCADLP COC(=O)[C@H](COC(C)C)[N@@H+](C)CCn1cc[nH+]c1 ZINC000611225154 363688142 /nfs/dbraw/zinc/68/81/42/363688142.db2.gz KWODINAYHHPSCV-LBPRGKRZSA-N 2 2 269.345 0.782 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC[NH2+]1 ZINC000621151585 366653101 /nfs/dbraw/zinc/65/31/01/366653101.db2.gz DNDFTBYPINIOTO-QWHCGFSZSA-N 2 2 276.384 0.902 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC[NH2+]1 ZINC000621156010 366656200 /nfs/dbraw/zinc/65/62/00/366656200.db2.gz QVGKEYZSAQISIU-JSGCOSHPSA-N 2 2 276.384 0.902 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[NH2+]1 ZINC000621159150 366660999 /nfs/dbraw/zinc/66/09/99/366660999.db2.gz DIMZANWDTWQPNW-TZMCWYRMSA-N 2 2 276.384 0.902 20 0 CCADLP CSCCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593052154 360021237 /nfs/dbraw/zinc/02/12/37/360021237.db2.gz OEJLGVZXEQWEEY-UHFFFAOYSA-N 2 2 259.419 0.445 20 0 CCADLP CSCCC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593052154 360021242 /nfs/dbraw/zinc/02/12/42/360021242.db2.gz OEJLGVZXEQWEEY-UHFFFAOYSA-N 2 2 259.419 0.445 20 0 CCADLP C[C@@H](O)CNc1cc(NCCC[NH+]2CCOCC2)nc[nH+]1 ZINC000298182683 200354104 /nfs/dbraw/zinc/35/41/04/200354104.db2.gz GSNQLBJPNGWKLS-GFCCVEGCSA-N 2 2 295.387 0.404 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592961896 360003264 /nfs/dbraw/zinc/00/32/64/360003264.db2.gz USNWCGDJVISQDG-JTQLQIEISA-N 2 2 288.355 0.681 20 0 CCADLP COC(=O)c1cccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1C ZINC000593901815 360200091 /nfs/dbraw/zinc/20/00/91/360200091.db2.gz JEDUCQBYWOAFKZ-GFCCVEGCSA-N 2 2 293.367 0.999 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]CCC(=O)NC(N)=O ZINC000594717547 360366393 /nfs/dbraw/zinc/36/63/93/360366393.db2.gz BPYDRKCHUAANPI-VIFPVBQESA-N 2 2 256.350 0.034 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]CCC(=O)NC(N)=O ZINC000594717547 360366398 /nfs/dbraw/zinc/36/63/98/360366398.db2.gz BPYDRKCHUAANPI-VIFPVBQESA-N 2 2 256.350 0.034 20 0 CCADLP CCOc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)nc1 ZINC000594736680 360369297 /nfs/dbraw/zinc/36/92/97/360369297.db2.gz JUWZAIHGLMNSIC-TZMCWYRMSA-N 2 2 290.367 0.224 20 0 CCADLP CCOc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)nc1 ZINC000594736680 360369303 /nfs/dbraw/zinc/36/93/03/360369303.db2.gz JUWZAIHGLMNSIC-TZMCWYRMSA-N 2 2 290.367 0.224 20 0 CCADLP Cc1cccc2ncc(C[N@@H+]3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)n21 ZINC000594736948 360371344 /nfs/dbraw/zinc/37/13/44/360371344.db2.gz UNTYVWMZRMEOFE-GXTWGEPZSA-N 2 2 299.378 0.387 20 0 CCADLP Cc1cccc2ncc(C[N@H+]3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)n21 ZINC000594736948 360371346 /nfs/dbraw/zinc/37/13/46/360371346.db2.gz UNTYVWMZRMEOFE-GXTWGEPZSA-N 2 2 299.378 0.387 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000594922024 360415738 /nfs/dbraw/zinc/41/57/38/360415738.db2.gz OEFMPCPQUCJSLZ-XJFOESAGSA-N 2 2 284.400 0.742 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000594925340 360416636 /nfs/dbraw/zinc/41/66/36/360416636.db2.gz RUACARZOQWKRIT-UMSGYPCISA-N 2 2 269.389 0.019 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000594925340 360416638 /nfs/dbraw/zinc/41/66/38/360416638.db2.gz RUACARZOQWKRIT-UMSGYPCISA-N 2 2 269.389 0.019 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000594940429 360421722 /nfs/dbraw/zinc/42/17/22/360421722.db2.gz CFGNGQZPXMGROC-REWJHTLYSA-N 2 2 284.400 0.620 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000594940429 360421725 /nfs/dbraw/zinc/42/17/25/360421725.db2.gz CFGNGQZPXMGROC-REWJHTLYSA-N 2 2 284.400 0.620 20 0 CCADLP COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595505446 360554338 /nfs/dbraw/zinc/55/43/38/360554338.db2.gz UHRSMXHUABWQBK-IUODEOHRSA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595505446 360554341 /nfs/dbraw/zinc/55/43/41/360554341.db2.gz UHRSMXHUABWQBK-IUODEOHRSA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)CNC(=O)[C@@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595505446 360554344 /nfs/dbraw/zinc/55/43/44/360554344.db2.gz UHRSMXHUABWQBK-IUODEOHRSA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)CNC(=O)[C@@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595505446 360554348 /nfs/dbraw/zinc/55/43/48/360554348.db2.gz UHRSMXHUABWQBK-IUODEOHRSA-N 2 2 297.399 0.082 20 0 CCADLP CNS(=O)(=O)CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000621254927 366682578 /nfs/dbraw/zinc/68/25/78/366682578.db2.gz QEAARJIDIUQKFM-LLVKDONJSA-N 2 2 272.374 0.069 20 0 CCADLP CNS(=O)(=O)CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000621254927 366682579 /nfs/dbraw/zinc/68/25/79/366682579.db2.gz QEAARJIDIUQKFM-LLVKDONJSA-N 2 2 272.374 0.069 20 0 CCADLP O=C(NCCCN1CC[NH2+]CC1)c1ccc2[nH+]ccn2c1 ZINC000178334286 189108412 /nfs/dbraw/zinc/10/84/12/189108412.db2.gz NKPLJENLZBAFKE-UHFFFAOYSA-N 2 2 287.367 0.359 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000563537024 291236264 /nfs/dbraw/zinc/23/62/64/291236264.db2.gz FSMFRRYSUIBLOO-GFCCVEGCSA-N 2 2 273.340 0.767 20 0 CCADLP Cc1ncc(C[NH+]2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)s1 ZINC000178883734 189152619 /nfs/dbraw/zinc/15/26/19/189152619.db2.gz YHDTULYHEBWDAV-ZDUSSCGKSA-N 2 2 294.424 0.848 20 0 CCADLP Cc1ncc(C[NH+]2CCN(C(=O)CC[NH3+])CC2)s1 ZINC000178884072 189152722 /nfs/dbraw/zinc/15/27/22/189152722.db2.gz HTPREXMNEAOCNR-UHFFFAOYSA-N 2 2 268.386 0.445 20 0 CCADLP O=C(Cc1cn2ccccc2[nH+]1)NCC[C@@H]1CC[NH2+]C1 ZINC000178938607 189155876 /nfs/dbraw/zinc/15/58/76/189155876.db2.gz 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C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000615271513 364901017 /nfs/dbraw/zinc/90/10/17/364901017.db2.gz XRWXACWEHYFANK-UONOGXRCSA-N 2 2 292.383 0.664 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@@H+]1CCO[C@H](C)C1)[C@@H](C)[NH3+] ZINC000565027839 291337354 /nfs/dbraw/zinc/33/73/54/291337354.db2.gz DSUYMLVGSBIWBO-JHJVBQTASA-N 2 2 271.405 0.443 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@H+]1CCO[C@H](C)C1)[C@@H](C)[NH3+] ZINC000565027839 291337356 /nfs/dbraw/zinc/33/73/56/291337356.db2.gz DSUYMLVGSBIWBO-JHJVBQTASA-N 2 2 271.405 0.443 20 0 CCADLP O=C([C@@H]1CCCCC[NH2+]1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000565039712 291339227 /nfs/dbraw/zinc/33/92/27/291339227.db2.gz AZQFIAJGYFMGJU-ZDUSSCGKSA-N 2 2 291.399 0.586 20 0 CCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC000615559169 365006336 /nfs/dbraw/zinc/00/63/36/365006336.db2.gz WNFWJAXEOJXYSO-RBSFLKMASA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)CC[N@H+]1C ZINC000615559169 365006342 /nfs/dbraw/zinc/00/63/42/365006342.db2.gz WNFWJAXEOJXYSO-RBSFLKMASA-N 2 2 295.427 0.650 20 0 CCADLP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000565033752 291338401 /nfs/dbraw/zinc/33/84/01/291338401.db2.gz BBEYAUWUNNXVOB-RYUDHWBXSA-N 2 2 262.357 0.513 20 0 CCADLP C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000565033752 291338402 /nfs/dbraw/zinc/33/84/02/291338402.db2.gz BBEYAUWUNNXVOB-RYUDHWBXSA-N 2 2 262.357 0.513 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000615610220 365021999 /nfs/dbraw/zinc/02/19/99/365021999.db2.gz VDNBZBCSYMUWMM-HOCLYGCPSA-N 2 2 295.427 0.651 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000615610220 365022007 /nfs/dbraw/zinc/02/20/07/365022007.db2.gz VDNBZBCSYMUWMM-HOCLYGCPSA-N 2 2 295.427 0.651 20 0 CCADLP CC[NH+]1CCOC[C@H]1C(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000615610220 365022009 /nfs/dbraw/zinc/02/20/09/365022009.db2.gz VDNBZBCSYMUWMM-HOCLYGCPSA-N 2 2 295.427 0.651 20 0 CCADLP CC[NH+]1CCOC[C@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000615610220 365022013 /nfs/dbraw/zinc/02/20/13/365022013.db2.gz VDNBZBCSYMUWMM-HOCLYGCPSA-N 2 2 295.427 0.651 20 0 CCADLP C[NH+]1CCN(C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000615910303 365126987 /nfs/dbraw/zinc/12/69/87/365126987.db2.gz RMVRIHOSLIYXSI-UHFFFAOYSA-N 2 2 265.361 0.620 20 0 CCADLP C[NH+](C)CC(C)(C)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000616188206 365209151 /nfs/dbraw/zinc/20/91/51/365209151.db2.gz QDUBOYDKDHWDSA-SNVBAGLBSA-N 2 2 264.373 0.971 20 0 CCADLP C[NH+](C)CC(C)(C)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000616188206 365209154 /nfs/dbraw/zinc/20/91/54/365209154.db2.gz QDUBOYDKDHWDSA-SNVBAGLBSA-N 2 2 264.373 0.971 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@]1(C)CCCO ZINC000565162092 291349330 /nfs/dbraw/zinc/34/93/30/291349330.db2.gz HDDQIYIGYFZTQV-HUUCEWRRSA-N 2 2 288.432 0.553 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@]1(C)CCCO ZINC000565162092 291349332 /nfs/dbraw/zinc/34/93/32/291349332.db2.gz HDDQIYIGYFZTQV-HUUCEWRRSA-N 2 2 288.432 0.553 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@]1(C)CCCO ZINC000565162092 291349333 /nfs/dbraw/zinc/34/93/33/291349333.db2.gz HDDQIYIGYFZTQV-HUUCEWRRSA-N 2 2 288.432 0.553 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@]1(C)CCCO ZINC000565162092 291349335 /nfs/dbraw/zinc/34/93/35/291349335.db2.gz HDDQIYIGYFZTQV-HUUCEWRRSA-N 2 2 288.432 0.553 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(OCCCOC)CC1 ZINC000565157164 291348559 /nfs/dbraw/zinc/34/85/59/291348559.db2.gz OBHQIVKSOKMDHL-AWEZNQCLSA-N 2 2 288.432 0.817 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(OCCCOC)CC1 ZINC000565157164 291348561 /nfs/dbraw/zinc/34/85/61/291348561.db2.gz OBHQIVKSOKMDHL-AWEZNQCLSA-N 2 2 288.432 0.817 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000565157909 291348879 /nfs/dbraw/zinc/34/88/79/291348879.db2.gz QUNRSVHWBQEHIJ-OLZOCXBDSA-N 3 2 294.443 0.541 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000565157909 291348881 /nfs/dbraw/zinc/34/88/81/291348881.db2.gz QUNRSVHWBQEHIJ-OLZOCXBDSA-N 3 2 294.443 0.541 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)NCC[N@@H+]1CCCOCC1 ZINC000275654012 193095994 /nfs/dbraw/zinc/09/59/94/193095994.db2.gz PXCCOMBJMXWNPN-UHFFFAOYSA-N 2 2 295.387 0.213 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)NCC[N@H+]1CCCOCC1 ZINC000275654012 193095995 /nfs/dbraw/zinc/09/59/95/193095995.db2.gz PXCCOMBJMXWNPN-UHFFFAOYSA-N 2 2 295.387 0.213 20 0 CCADLP O=C(NCCC1CC[NH2+]CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000623179883 367467640 /nfs/dbraw/zinc/46/76/40/367467640.db2.gz IZZLAKLBCGWYHB-ZDUSSCGKSA-N 2 2 276.384 0.951 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623178496 367466339 /nfs/dbraw/zinc/46/63/39/367466339.db2.gz TXZZEMXLHUVORH-HKUMRIAESA-N 2 2 276.384 0.948 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623303937 367525633 /nfs/dbraw/zinc/52/56/33/367525633.db2.gz NPZSILQYDGMRDI-WCQYABFASA-N 2 2 262.357 0.798 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623303937 367525635 /nfs/dbraw/zinc/52/56/35/367525635.db2.gz NPZSILQYDGMRDI-WCQYABFASA-N 2 2 262.357 0.798 20 0 CCADLP CC(C)[C@@H](C(=O)N[C@@H]1CCn2c[nH+]cc2C1)[NH+](C)C ZINC000623305233 367526978 /nfs/dbraw/zinc/52/69/78/367526978.db2.gz OCZGCMLIZSXYSV-YPMHNXCESA-N 2 2 264.373 0.900 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)CC1 ZINC000623350035 367541940 /nfs/dbraw/zinc/54/19/40/367541940.db2.gz VRAULHWBGISXRG-CYBMUJFWSA-N 2 2 276.384 0.918 20 0 CCADLP O=C(Cn1c[nH+]c2c1CCCC2)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623262827 367502104 /nfs/dbraw/zinc/50/21/04/367502104.db2.gz RDAXHPGNISOMGC-NSHDSACASA-N 2 2 285.351 0.700 20 0 CCADLP C[C@@H](C(=O)N[C@H]1Cc2c[nH+]cn2C1)[NH+]1CCSCC1 ZINC000623263158 367502288 /nfs/dbraw/zinc/50/22/88/367502288.db2.gz DOWDFNWGTVFPDQ-QWRGUYRKSA-N 2 2 280.397 0.361 20 0 CCADLP C[C@H](C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)[NH+]1CCN(C)CC1 ZINC000566254287 291385398 /nfs/dbraw/zinc/38/53/98/291385398.db2.gz YHKWGXAEXZBSRJ-GDBMZVCRSA-N 2 2 294.443 0.224 20 0 CCADLP C[C@@H](C(=O)NC(C)(C)CCC[NH3+])[NH+]1CCN(C)CC1 ZINC000566252175 291385554 /nfs/dbraw/zinc/38/55/54/291385554.db2.gz MWVMLGMMJXEHBD-LBPRGKRZSA-N 2 2 270.421 0.256 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCc2cnc(N)nc2C1 ZINC000623292545 367516422 /nfs/dbraw/zinc/51/64/22/367516422.db2.gz RZVYXXSPNVRMDT-UHFFFAOYSA-N 2 2 258.329 0.223 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCc2cnc(N)nc2C1 ZINC000623292545 367516426 /nfs/dbraw/zinc/51/64/26/367516426.db2.gz RZVYXXSPNVRMDT-UHFFFAOYSA-N 2 2 258.329 0.223 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C[C@H](C)O1 ZINC000623619317 367606547 /nfs/dbraw/zinc/60/65/47/367606547.db2.gz BBEJWNKLAUSUEZ-DGAVXFQQSA-N 2 2 283.416 0.872 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C[C@H](C)O1 ZINC000623619317 367606552 /nfs/dbraw/zinc/60/65/52/367606552.db2.gz BBEJWNKLAUSUEZ-DGAVXFQQSA-N 2 2 283.416 0.872 20 0 CCADLP Cc1cnc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)s1 ZINC000623619717 367606872 /nfs/dbraw/zinc/60/68/72/367606872.db2.gz UEPYMKAXBMRWBB-NSHDSACASA-N 2 2 282.413 0.881 20 0 CCADLP Cc1cnc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)s1 ZINC000623619717 367606877 /nfs/dbraw/zinc/60/68/77/367606877.db2.gz UEPYMKAXBMRWBB-NSHDSACASA-N 2 2 282.413 0.881 20 0 CCADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000566296478 291390891 /nfs/dbraw/zinc/39/08/91/291390891.db2.gz VPQDWVPEWFXWCV-OCCSQVGLSA-N 3 2 282.432 0.127 20 0 CCADLP CCCC[N@H+](C)CCNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000623723286 367636374 /nfs/dbraw/zinc/63/63/74/367636374.db2.gz KQYODQZCQUJRJM-CYBMUJFWSA-N 2 2 286.420 0.348 20 0 CCADLP CCCC[N@@H+](C)CCNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000623723286 367636379 /nfs/dbraw/zinc/63/63/79/367636379.db2.gz KQYODQZCQUJRJM-CYBMUJFWSA-N 2 2 286.420 0.348 20 0 CCADLP CCCC[NH+](C)CCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623723286 367636381 /nfs/dbraw/zinc/63/63/81/367636381.db2.gz KQYODQZCQUJRJM-CYBMUJFWSA-N 2 2 286.420 0.348 20 0 CCADLP CCCC[NH+](C)CCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623723286 367636384 /nfs/dbraw/zinc/63/63/84/367636384.db2.gz KQYODQZCQUJRJM-CYBMUJFWSA-N 2 2 286.420 0.348 20 0 CCADLP C[N@@H+]1CCN(c2nc(N)[nH+]c(N)n2)[C@@H](c2ccccc2)C1 ZINC000623810392 367667698 /nfs/dbraw/zinc/66/76/98/367667698.db2.gz WWNDUWYBXYWYPZ-LLVKDONJSA-N 2 2 285.355 0.190 20 0 CCADLP C[N@H+]1CCN(c2nc(N)[nH+]c(N)n2)[C@@H](c2ccccc2)C1 ZINC000623810392 367667701 /nfs/dbraw/zinc/66/77/01/367667701.db2.gz WWNDUWYBXYWYPZ-LLVKDONJSA-N 2 2 285.355 0.190 20 0 CCADLP CC(C)[C@@H]1C[C@@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)CCO1 ZINC000623837575 367674689 /nfs/dbraw/zinc/67/46/89/367674689.db2.gz KTEVUOQRGKFXLR-IHRRRGAJSA-N 2 2 256.390 0.846 20 0 CCADLP CC(C)[C@@H]1C[C@@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)CCO1 ZINC000623837575 367674695 /nfs/dbraw/zinc/67/46/95/367674695.db2.gz KTEVUOQRGKFXLR-IHRRRGAJSA-N 2 2 256.390 0.846 20 0 CCADLP CO[C@@H](C)[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624085170 367748237 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NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1COC2(CCC2)C1 ZINC000624086344 367749841 /nfs/dbraw/zinc/74/98/41/367749841.db2.gz BWOCEYDMCAZLLA-OLZOCXBDSA-N 2 2 281.400 0.627 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1COC2(CCC2)C1 ZINC000624086344 367749842 /nfs/dbraw/zinc/74/98/42/367749842.db2.gz BWOCEYDMCAZLLA-OLZOCXBDSA-N 2 2 281.400 0.627 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)[C@@H]1CCCCO1 ZINC000624087096 367749914 /nfs/dbraw/zinc/74/99/14/367749914.db2.gz HMMNWKORGGPXKX-IHRRRGAJSA-N 2 2 283.416 0.873 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)[C@@H]1CCCCO1 ZINC000624087096 367749915 /nfs/dbraw/zinc/74/99/15/367749915.db2.gz HMMNWKORGGPXKX-IHRRRGAJSA-N 2 2 283.416 0.873 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCCCC[NH+]1CCOCC1 ZINC000624177069 367778066 /nfs/dbraw/zinc/77/80/66/367778066.db2.gz WYCCDVWPFMXKPA-UHFFFAOYSA-N 2 2 280.372 0.420 20 0 CCADLP C[N@@H+]1CC[C@H]([NH+]2CCO[C@H](CC(N)=O)C2)CC1(C)C ZINC000624250723 367807285 /nfs/dbraw/zinc/80/72/85/367807285.db2.gz ASZISQLBLQMBGC-NWDGAFQWSA-N 2 2 269.389 0.435 20 0 CCADLP C[N@H+]1CC[C@H]([NH+]2CCO[C@H](CC(N)=O)C2)CC1(C)C ZINC000624250723 367807291 /nfs/dbraw/zinc/80/72/91/367807291.db2.gz ASZISQLBLQMBGC-NWDGAFQWSA-N 2 2 269.389 0.435 20 0 CCADLP C[NH+]1CC[C@H]([N@@H+]2CCO[C@H](CC(N)=O)C2)CC1(C)C ZINC000624250723 367807295 /nfs/dbraw/zinc/80/72/95/367807295.db2.gz ASZISQLBLQMBGC-NWDGAFQWSA-N 2 2 269.389 0.435 20 0 CCADLP C[NH+]1CC[C@H]([N@H+]2CCO[C@H](CC(N)=O)C2)CC1(C)C ZINC000624250723 367807298 /nfs/dbraw/zinc/80/72/98/367807298.db2.gz ASZISQLBLQMBGC-NWDGAFQWSA-N 2 2 269.389 0.435 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000566436943 291405591 /nfs/dbraw/zinc/40/55/91/291405591.db2.gz HUDTZMWKSXRUAC-LLVKDONJSA-N 2 2 250.346 0.648 20 0 CCADLP COc1ccc[nH+]c1N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000624347445 367841561 /nfs/dbraw/zinc/84/15/61/367841561.db2.gz LPBVQSWSAJZRJR-UHFFFAOYSA-N 2 2 278.356 0.300 20 0 CCADLP CCc1cc(NC[C@H]2COCC[N@@H+]2C)nc(C)[nH+]1 ZINC000624619480 367930623 /nfs/dbraw/zinc/93/06/23/367930623.db2.gz DEHGXHLYJXFZFA-LBPRGKRZSA-N 2 2 250.346 0.512 20 0 CCADLP CCc1cc(NC[C@H]2COCC[N@H+]2C)nc(C)[nH+]1 ZINC000624619480 367930624 /nfs/dbraw/zinc/93/06/24/367930624.db2.gz DEHGXHLYJXFZFA-LBPRGKRZSA-N 2 2 250.346 0.512 20 0 CCADLP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000656200324 412763933 /nfs/dbraw/zinc/76/39/33/412763933.db2.gz LSGRZPHWMXVWBU-PMOUVXMZSA-N 3 2 267.417 0.683 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000625333202 368151244 /nfs/dbraw/zinc/15/12/44/368151244.db2.gz FXUBMOISALVWQW-KBPBESRZSA-N 2 2 292.383 0.249 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CC2(C)COC2)CC1 ZINC000625787734 368331033 /nfs/dbraw/zinc/33/10/33/368331033.db2.gz FJQXERAVFHEAIR-ZDUSSCGKSA-N 2 2 283.416 0.507 20 0 CCADLP Cc1cc(CNC(=O)[C@@H]2CSC[NH2+]2)cc(C)[nH+]1 ZINC000335494719 212173127 /nfs/dbraw/zinc/17/31/27/212173127.db2.gz JFTGBOHAZPLDPV-NSHDSACASA-N 2 2 251.355 0.977 20 0 CCADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC000626089519 368437848 /nfs/dbraw/zinc/43/78/48/368437848.db2.gz UKPYSKCRAZRCRM-AWEZNQCLSA-N 2 2 295.427 0.842 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)NCC[N@@H+]2CCOCC2(C)C)C[NH2+]1 ZINC000626969554 368702132 /nfs/dbraw/zinc/70/21/32/368702132.db2.gz YMJMLBJELZGKAA-STQMWFEESA-N 2 2 298.431 0.537 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)NCC[N@H+]2CCOCC2(C)C)C[NH2+]1 ZINC000626969554 368702142 /nfs/dbraw/zinc/70/21/42/368702142.db2.gz YMJMLBJELZGKAA-STQMWFEESA-N 2 2 298.431 0.537 20 0 CCADLP CN(C)c1ccc(CNC(=O)N(C)CCOCC[NH3+])c[nH+]1 ZINC000626934282 368685891 /nfs/dbraw/zinc/68/58/91/368685891.db2.gz DIBNREWCKVGAJI-UHFFFAOYSA-N 2 2 295.387 0.264 20 0 CCADLP C[NH2+]CCOCCNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000627000071 368725781 /nfs/dbraw/zinc/72/57/81/368725781.db2.gz IXUVDGQRZGFROC-UHFFFAOYSA-N 2 2 291.355 0.370 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000627158131 368832362 /nfs/dbraw/zinc/83/23/62/368832362.db2.gz KHKAMGXMRPDFDL-HZSPNIEDSA-N 2 2 296.415 0.243 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000627084859 368783329 /nfs/dbraw/zinc/78/33/29/368783329.db2.gz ZBVGBKQITORDET-LBPRGKRZSA-N 2 2 284.404 0.006 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000627084859 368783333 /nfs/dbraw/zinc/78/33/33/368783333.db2.gz ZBVGBKQITORDET-LBPRGKRZSA-N 2 2 284.404 0.006 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)N(C)Cc2[nH+]ccn2C)C[NH2+]1 ZINC000627203365 368872220 /nfs/dbraw/zinc/87/22/20/368872220.db2.gz WHEDAAZAAMVQCZ-GHMZBOCLSA-N 2 2 265.361 0.702 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C[NH2+]1 ZINC000627207443 368878887 /nfs/dbraw/zinc/87/88/87/368878887.db2.gz REZACQWNRQFLFT-RQJABVFESA-N 2 2 296.415 0.289 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C[NH2+]1 ZINC000627207443 368878890 /nfs/dbraw/zinc/87/88/90/368878890.db2.gz REZACQWNRQFLFT-RQJABVFESA-N 2 2 296.415 0.289 20 0 CCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627243630 368907648 /nfs/dbraw/zinc/90/76/48/368907648.db2.gz PGRCCVRXDCVKGH-XDQVBPFNSA-N 2 2 296.415 0.241 20 0 CCADLP C[C@@H]1CCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)[C@H](C[NH3+])C1 ZINC000627182463 368851378 /nfs/dbraw/zinc/85/13/78/368851378.db2.gz BWWVBSLOEJHRSB-FRRDWIJNSA-N 2 2 284.404 0.086 20 0 CCADLP C[C@@H]1CCN(C(=O)NC[C@@H]2COCC[N@H+]2C)[C@H](C[NH3+])C1 ZINC000627182463 368851380 /nfs/dbraw/zinc/85/13/80/368851380.db2.gz BWWVBSLOEJHRSB-FRRDWIJNSA-N 2 2 284.404 0.086 20 0 CCADLP CCN(C(=O)Cc1c[nH+]cn1C)C1CC[NH+](C)CC1 ZINC000627617147 369055664 /nfs/dbraw/zinc/05/56/64/369055664.db2.gz UAGLHWGPJDHTIM-UHFFFAOYSA-N 2 2 264.373 0.905 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000330686584 203116731 /nfs/dbraw/zinc/11/67/31/203116731.db2.gz AZHHADQQEIFCIZ-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000330686584 203116734 /nfs/dbraw/zinc/11/67/34/203116734.db2.gz AZHHADQQEIFCIZ-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP Cc1ncc(C[N@H+](CCO)C2CC[NH+](C)CC2)o1 ZINC000628117579 369183737 /nfs/dbraw/zinc/18/37/37/369183737.db2.gz OIYYPMZMWVPYIA-UHFFFAOYSA-N 2 2 253.346 0.872 20 0 CCADLP Cc1c[nH]c(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)[nH+]1 ZINC000628162756 369196007 /nfs/dbraw/zinc/19/60/07/369196007.db2.gz CKJANWYPVQDWGM-STQMWFEESA-N 2 2 264.373 0.749 20 0 CCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628911905 369443722 /nfs/dbraw/zinc/44/37/22/369443722.db2.gz CULUCPMHSDCZRW-CHWSQXEVSA-N 2 2 294.399 0.843 20 0 CCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628911905 369443725 /nfs/dbraw/zinc/44/37/25/369443725.db2.gz CULUCPMHSDCZRW-CHWSQXEVSA-N 2 2 294.399 0.843 20 0 CCADLP C[NH+](C)CC1(C(=O)NC[C@@H]2COCC[N@@H+]2C)CCCCC1 ZINC000628915963 369454979 /nfs/dbraw/zinc/45/49/79/369454979.db2.gz VXLRAHFVXNKFPN-CQSZACIVSA-N 2 2 297.443 0.945 20 0 CCADLP C[NH+](C)CC1(C(=O)NC[C@@H]2COCC[N@H+]2C)CCCCC1 ZINC000628915963 369454984 /nfs/dbraw/zinc/45/49/84/369454984.db2.gz VXLRAHFVXNKFPN-CQSZACIVSA-N 2 2 297.443 0.945 20 0 CCADLP C[C@H](c1nnnn1C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000276189672 193237931 /nfs/dbraw/zinc/23/79/31/193237931.db2.gz ICHXNYAESTXZEY-SECBINFHSA-N 2 2 261.333 0.874 20 0 CCADLP CC[N@H+](C)C[C@@H]1CCN(c2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000276358111 193299165 /nfs/dbraw/zinc/29/91/65/193299165.db2.gz YWSVPZOMYSLBTK-JTQLQIEISA-N 2 2 289.387 0.724 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CCN(c2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000276358111 193299166 /nfs/dbraw/zinc/29/91/66/193299166.db2.gz YWSVPZOMYSLBTK-JTQLQIEISA-N 2 2 289.387 0.724 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)NCCC[NH+]1CCOCC1 ZINC000276454551 193337782 /nfs/dbraw/zinc/33/77/82/193337782.db2.gz BHPOOKFRGDCTNT-NSCUHMNNSA-N 2 2 264.329 0.261 20 0 CCADLP Cc1ccc(O)c(C[NH2+]CC2([NH3+])CCOCC2)n1 ZINC000629387763 369651137 /nfs/dbraw/zinc/65/11/37/369651137.db2.gz JZIGZPURDSXGDU-UHFFFAOYSA-N 2 2 251.330 0.693 20 0 CCADLP CC(C)N1CC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1=O ZINC000629565217 369712529 /nfs/dbraw/zinc/71/25/29/369712529.db2.gz KGKNRWSDZGAHRH-CHWSQXEVSA-N 2 2 269.389 0.042 20 0 CCADLP Cn1c(C[N@H+](C)CCOCC[NH3+])nc2ccccc2c1=O ZINC000629577371 369719236 /nfs/dbraw/zinc/71/92/36/369719236.db2.gz GSVWOJUYZDEEEO-UHFFFAOYSA-N 2 2 290.367 0.341 20 0 CCADLP Cn1c(C[N@@H+](C)CCOCC[NH3+])nc2ccccc2c1=O ZINC000629577371 369719239 /nfs/dbraw/zinc/71/92/39/369719239.db2.gz GSVWOJUYZDEEEO-UHFFFAOYSA-N 2 2 290.367 0.341 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000629512605 369687491 /nfs/dbraw/zinc/68/74/91/369687491.db2.gz DCVSFICTLPOACJ-XQQFMLRXSA-N 3 2 268.405 0.043 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000629512605 369687495 /nfs/dbraw/zinc/68/74/95/369687495.db2.gz DCVSFICTLPOACJ-XQQFMLRXSA-N 3 2 268.405 0.043 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]CC2([NH3+])CCOCC2)[C@H]2CCC[C@@H]21 ZINC000629521287 369691167 /nfs/dbraw/zinc/69/11/67/369691167.db2.gz PHDYNYOKJNATNV-RDBSUJKOSA-N 3 2 267.417 0.957 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]CC2([NH3+])CCOCC2)[C@H]2CCC[C@@H]21 ZINC000629521287 369691172 /nfs/dbraw/zinc/69/11/72/369691172.db2.gz PHDYNYOKJNATNV-RDBSUJKOSA-N 3 2 267.417 0.957 20 0 CCADLP O=c1[nH]cccc1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000629548821 369700814 /nfs/dbraw/zinc/70/08/14/369700814.db2.gz ZIDLJIPVINBRKT-OLZOCXBDSA-N 2 2 263.341 0.644 20 0 CCADLP O=C(C[NH2+]C[C@H](O)C[NH+]1CCCC1)Nc1ccccc1 ZINC000629557136 369706724 /nfs/dbraw/zinc/70/67/24/369706724.db2.gz VCYJHVWITMRSMS-AWEZNQCLSA-N 2 2 277.368 0.671 20 0 CCADLP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000629558469 369707896 /nfs/dbraw/zinc/70/78/96/369707896.db2.gz IHEHEIWISDVJRA-GJZGRUSLSA-N 3 2 269.433 0.765 20 0 CCADLP CC[C@H]([NH3+])C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000567387788 291480897 /nfs/dbraw/zinc/48/08/97/291480897.db2.gz KETOGLXMRYEJTI-NSHDSACASA-N 2 2 250.346 0.915 20 0 CCADLP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000629558469 369707903 /nfs/dbraw/zinc/70/79/03/369707903.db2.gz IHEHEIWISDVJRA-GJZGRUSLSA-N 3 2 269.433 0.765 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)CC1CCCC1 ZINC000629607219 369738142 /nfs/dbraw/zinc/73/81/42/369738142.db2.gz PBWYJGVYCJDDDM-GJZGRUSLSA-N 2 2 297.443 0.857 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)CC1CCCC1 ZINC000629607219 369738144 /nfs/dbraw/zinc/73/81/44/369738144.db2.gz PBWYJGVYCJDDDM-GJZGRUSLSA-N 2 2 297.443 0.857 20 0 CCADLP C[C@H](CNC(=O)CCc1c[nH+]cn1C)C[NH+]1CCOCC1 ZINC000276572918 193386529 /nfs/dbraw/zinc/38/65/29/193386529.db2.gz KNYYHOVKCUJAQM-CYBMUJFWSA-N 2 2 294.399 0.437 20 0 CCADLP COCCN(CC[NH+](C)C)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000276573086 193386639 /nfs/dbraw/zinc/38/66/39/193386639.db2.gz KSBDMGLJYSPKIL-SNAWJCMRSA-N 2 2 266.345 0.460 20 0 CCADLP OCc1cccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)n1 ZINC000629593725 369732385 /nfs/dbraw/zinc/73/23/85/369732385.db2.gz JLRQGBOKZWOJCA-CQSZACIVSA-N 2 2 265.357 0.120 20 0 CCADLP COC[C@H](O)C[NH2+]CCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000629593118 369732935 /nfs/dbraw/zinc/73/29/35/369732935.db2.gz FGSJESGCCFMZRY-GFCCVEGCSA-N 2 2 282.388 0.339 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCCNc1cc[nH+]cc1)CC2 ZINC000629950609 369850751 /nfs/dbraw/zinc/85/07/51/369850751.db2.gz UAPPFXXSFVSRCP-ZDUSSCGKSA-N 2 2 299.378 0.799 20 0 CCADLP C[C@H]([C@H](C)NC(=O)C[N@H+](C)C1CCC1)[NH+]1CCOCC1 ZINC000629958567 369854588 /nfs/dbraw/zinc/85/45/88/369854588.db2.gz NUCQNHWOYSPMSC-QWHCGFSZSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H]([C@H](C)NC(=O)C[N@@H+](C)C1CCC1)[NH+]1CCOCC1 ZINC000629958567 369854590 /nfs/dbraw/zinc/85/45/90/369854590.db2.gz NUCQNHWOYSPMSC-QWHCGFSZSA-N 2 2 283.416 0.696 20 0 CCADLP C[NH+](C)C1CC[NH+](C[C@@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000630034610 369906240 /nfs/dbraw/zinc/90/62/40/369906240.db2.gz BCPATMUPYFUGKR-GJZGRUSLSA-N 2 2 270.417 0.924 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1Nc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000630525758 370145919 /nfs/dbraw/zinc/14/59/19/370145919.db2.gz LKHOCOPSQNJAOM-VHSXEESVSA-N 2 2 273.344 0.627 20 0 CCADLP Cc1[nH+]c(-c2ccncc2)nc(NC[C@@H]2COCC[NH2+]2)c1C ZINC000630531159 370151365 /nfs/dbraw/zinc/15/13/65/370151365.db2.gz CBZDREBZSILTHO-CQSZACIVSA-N 2 2 299.378 0.978 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCn1cc(C(C)(C)[NH3+])nn1 ZINC000630611294 370209816 /nfs/dbraw/zinc/20/98/16/370209816.db2.gz CTKLYYKCSUZROJ-UHFFFAOYSA-N 3 2 268.409 0.355 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCn1cc(C(C)(C)[NH3+])nn1 ZINC000630611294 370209818 /nfs/dbraw/zinc/20/98/18/370209818.db2.gz CTKLYYKCSUZROJ-UHFFFAOYSA-N 3 2 268.409 0.355 20 0 CCADLP Cc1cc(C[NH2+]CCC[NH+]2CCC(O)CC2)on1 ZINC000631050763 370367502 /nfs/dbraw/zinc/36/75/02/370367502.db2.gz YQNQKBQWDSVNLO-UHFFFAOYSA-N 2 2 253.346 0.919 20 0 CCADLP COCCc1ncc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)s1 ZINC000631050621 370367983 /nfs/dbraw/zinc/36/79/83/370367983.db2.gz WMSIVYBFHURQRG-LBPRGKRZSA-N 2 2 299.440 0.878 20 0 CCADLP Cc1nc(NC[C@H](C)[N@@H+]2CCc3ccccc3C2)nc(N)[nH+]1 ZINC000631055002 370369988 /nfs/dbraw/zinc/36/99/88/370369988.db2.gz DEIYLGUMGCDQSH-NSHDSACASA-N 2 2 298.394 0.873 20 0 CCADLP Cc1nc(NC[C@H](C)[N@H+]2CCc3ccccc3C2)nc(N)[nH+]1 ZINC000631055002 370369994 /nfs/dbraw/zinc/36/99/94/370369994.db2.gz DEIYLGUMGCDQSH-NSHDSACASA-N 2 2 298.394 0.873 20 0 CCADLP COCCc1ncc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)s1 ZINC000631100017 370384369 /nfs/dbraw/zinc/38/43/69/370384369.db2.gz OFIKMFBXFUWSHQ-CYBMUJFWSA-N 2 2 287.429 0.734 20 0 CCADLP O=c1ccc(C[NH2+]C[C@H]2CCC[N@H+]2CCCO)c[nH]1 ZINC000631146472 370400030 /nfs/dbraw/zinc/40/00/30/370400030.db2.gz JONUEIGHRAVGCW-CYBMUJFWSA-N 2 2 265.357 0.724 20 0 CCADLP O=c1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2CCCO)c[nH]1 ZINC000631146472 370400034 /nfs/dbraw/zinc/40/00/34/370400034.db2.gz JONUEIGHRAVGCW-CYBMUJFWSA-N 2 2 265.357 0.724 20 0 CCADLP NC(=O)C1(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CCCC1 ZINC000567641626 291497682 /nfs/dbraw/zinc/49/76/82/291497682.db2.gz WYUYIHXKMPCBOY-QWHCGFSZSA-N 2 2 281.400 0.389 20 0 CCADLP Cc1nc(N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)nc(N)[nH+]1 ZINC000631166851 370409918 /nfs/dbraw/zinc/40/99/18/370409918.db2.gz BWXROTUXRQNGGL-NWDGAFQWSA-N 2 2 292.387 0.648 20 0 CCADLP Cc1nc(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)nc(N)[nH+]1 ZINC000631171724 370411263 /nfs/dbraw/zinc/41/12/63/370411263.db2.gz HLYSSCBWDLUGBD-WDEREUQCSA-N 2 2 262.361 0.513 20 0 CCADLP Cc1nc(N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)nc(N)[nH+]1 ZINC000631171724 370411264 /nfs/dbraw/zinc/41/12/64/370411264.db2.gz HLYSSCBWDLUGBD-WDEREUQCSA-N 2 2 262.361 0.513 20 0 CCADLP Cc1nc(N)nc(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)[nH+]1 ZINC000631171724 370411265 /nfs/dbraw/zinc/41/12/65/370411265.db2.gz HLYSSCBWDLUGBD-WDEREUQCSA-N 2 2 262.361 0.513 20 0 CCADLP Cc1nc(N)nc(N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)[nH+]1 ZINC000631171724 370411266 /nfs/dbraw/zinc/41/12/66/370411266.db2.gz HLYSSCBWDLUGBD-WDEREUQCSA-N 2 2 262.361 0.513 20 0 CCADLP COC(=O)[C@@]1(C)CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351539749 284235291 /nfs/dbraw/zinc/23/52/91/284235291.db2.gz VEBGTLYWZJHPLZ-JSGCOSHPSA-N 2 2 270.373 0.327 20 0 CCADLP COC(=O)[C@@]1(C)CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351539749 284235295 /nfs/dbraw/zinc/23/52/95/284235295.db2.gz VEBGTLYWZJHPLZ-JSGCOSHPSA-N 2 2 270.373 0.327 20 0 CCADLP COC(=O)[C@@]1(C)CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000351539749 284235297 /nfs/dbraw/zinc/23/52/97/284235297.db2.gz VEBGTLYWZJHPLZ-JSGCOSHPSA-N 2 2 270.373 0.327 20 0 CCADLP COC(=O)[C@@]1(C)CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351539749 284235300 /nfs/dbraw/zinc/23/53/00/284235300.db2.gz VEBGTLYWZJHPLZ-JSGCOSHPSA-N 2 2 270.373 0.327 20 0 CCADLP C[NH+](C)C1(CS(=O)(=O)NCCCn2cc[nH+]c2)CC1 ZINC000631638748 370621014 /nfs/dbraw/zinc/62/10/14/370621014.db2.gz QAIAGHVMYQOVSX-UHFFFAOYSA-N 2 2 286.401 0.287 20 0 CCADLP O=S(=O)(CCC[NH+]1CCCC1)N1CCn2c[nH+]cc2C1 ZINC000632346271 370998568 /nfs/dbraw/zinc/99/85/68/370998568.db2.gz JMKBTBYPBFUWIK-UHFFFAOYSA-N 2 2 298.412 0.514 20 0 CCADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000331927196 204303926 /nfs/dbraw/zinc/30/39/26/204303926.db2.gz NDCKQRFEVIFOKF-GJZGRUSLSA-N 2 2 273.336 0.718 20 0 CCADLP CCN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371301016 284273730 /nfs/dbraw/zinc/27/37/30/284273730.db2.gz SBQVIWURRCZDGO-MELADBBJSA-N 2 2 283.416 0.648 20 0 CCADLP CCN(C)C(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371301016 284273733 /nfs/dbraw/zinc/27/37/33/284273733.db2.gz SBQVIWURRCZDGO-MELADBBJSA-N 2 2 283.416 0.648 20 0 CCADLP CCN(C)C(=O)C[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000337506645 284274269 /nfs/dbraw/zinc/27/42/69/284274269.db2.gz PHGNIRJIZLLOIK-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP CCN(C)C(=O)C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000337506645 284274270 /nfs/dbraw/zinc/27/42/70/284274270.db2.gz PHGNIRJIZLLOIK-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CCc1cn[nH]n1 ZINC000633614329 371629784 /nfs/dbraw/zinc/62/97/84/371629784.db2.gz OPHPTEOSVYKVBE-LBPRGKRZSA-N 2 2 296.419 0.126 20 0 CCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CCc1cn[nH]n1 ZINC000633614329 371629788 /nfs/dbraw/zinc/62/97/88/371629788.db2.gz OPHPTEOSVYKVBE-LBPRGKRZSA-N 2 2 296.419 0.126 20 0 CCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CCc1c[nH]nn1 ZINC000633614329 371629791 /nfs/dbraw/zinc/62/97/91/371629791.db2.gz OPHPTEOSVYKVBE-LBPRGKRZSA-N 2 2 296.419 0.126 20 0 CCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CCc1c[nH]nn1 ZINC000633614329 371629795 /nfs/dbraw/zinc/62/97/95/371629795.db2.gz OPHPTEOSVYKVBE-LBPRGKRZSA-N 2 2 296.419 0.126 20 0 CCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CCc1cnn[nH]1 ZINC000633614329 371629797 /nfs/dbraw/zinc/62/97/97/371629797.db2.gz OPHPTEOSVYKVBE-LBPRGKRZSA-N 2 2 296.419 0.126 20 0 CCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CCc1cnn[nH]1 ZINC000633614329 371629802 /nfs/dbraw/zinc/62/98/02/371629802.db2.gz OPHPTEOSVYKVBE-LBPRGKRZSA-N 2 2 296.419 0.126 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1)CC1(O)CCOCC1 ZINC000634704227 372149504 /nfs/dbraw/zinc/14/95/04/372149504.db2.gz IGPHJMJTIAYPQA-CABCVRRESA-N 2 2 298.427 0.353 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)CC1(O)CCOCC1 ZINC000634704227 372149511 /nfs/dbraw/zinc/14/95/11/372149511.db2.gz IGPHJMJTIAYPQA-CABCVRRESA-N 2 2 298.427 0.353 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCCC(F)(F)CC1 ZINC000634738066 372181405 /nfs/dbraw/zinc/18/14/05/372181405.db2.gz HDBAVEZTUQOBPW-JTQLQIEISA-N 2 2 263.332 0.913 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCO[C@H](C(F)F)CC1 ZINC000634758960 372205585 /nfs/dbraw/zinc/20/55/85/372205585.db2.gz ZFLHPQPQNUJYEM-RYUDHWBXSA-N 2 2 296.358 0.282 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCO[C@H](C(F)F)CC1 ZINC000634758960 372205588 /nfs/dbraw/zinc/20/55/88/372205588.db2.gz ZFLHPQPQNUJYEM-RYUDHWBXSA-N 2 2 296.358 0.282 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000634758960 372205593 /nfs/dbraw/zinc/20/55/93/372205593.db2.gz ZFLHPQPQNUJYEM-RYUDHWBXSA-N 2 2 296.358 0.282 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000634758960 372205596 /nfs/dbraw/zinc/20/55/96/372205596.db2.gz ZFLHPQPQNUJYEM-RYUDHWBXSA-N 2 2 296.358 0.282 20 0 CCADLP c1nc(N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c2c([nH+]1)NCCO2 ZINC000634807564 372247290 /nfs/dbraw/zinc/24/72/90/372247290.db2.gz SJZKFTAVYUUGNY-AOOOYVTPSA-N 2 2 261.329 0.612 20 0 CCADLP COc1c(C)[nH+]cnc1N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000634808996 372251608 /nfs/dbraw/zinc/25/16/08/372251608.db2.gz IGFSGWQFAKBRFH-GFCCVEGCSA-N 2 2 277.372 0.278 20 0 CCADLP C[C@@]1(F)C[NH2+]CCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000634810412 372253533 /nfs/dbraw/zinc/25/35/33/372253533.db2.gz WZGRVLQAPYLEGD-GFCCVEGCSA-N 2 2 267.308 0.419 20 0 CCADLP c1nc(N2CCSCC2)cc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[nH+]1 ZINC000634809979 372253559 /nfs/dbraw/zinc/25/35/59/372253559.db2.gz IISXYOLDRXBQDL-IWIIMEHWSA-N 2 2 277.397 0.660 20 0 CCADLP c1nc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc(N2CCSCC2)[nH+]1 ZINC000634809979 372253562 /nfs/dbraw/zinc/25/35/62/372253562.db2.gz IISXYOLDRXBQDL-IWIIMEHWSA-N 2 2 277.397 0.660 20 0 CCADLP Nc1c(N[C@@H]2CCC[NH2+]CC2)[nH+]cnc1-n1cccn1 ZINC000634813236 372256898 /nfs/dbraw/zinc/25/68/98/372256898.db2.gz CZZPJXGSIYUDJK-SNVBAGLBSA-N 2 2 273.344 0.799 20 0 CCADLP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CCCS(=O)(=O)CC1 ZINC000634957529 372312111 /nfs/dbraw/zinc/31/21/11/372312111.db2.gz PVHPCWPEQXVHCX-NWDGAFQWSA-N 2 2 262.419 0.884 20 0 CCADLP CN(C)C(=O)N(C)[C@@H]1CC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634996868 372335165 /nfs/dbraw/zinc/33/51/65/372335165.db2.gz XOHKFNIZZOAGSM-MBHSVXNSSA-N 2 2 266.389 0.426 20 0 CCADLP CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634996868 372335169 /nfs/dbraw/zinc/33/51/69/372335169.db2.gz XOHKFNIZZOAGSM-MBHSVXNSSA-N 2 2 266.389 0.426 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635127743 372384694 /nfs/dbraw/zinc/38/46/94/372384694.db2.gz UWWWMBCGKBCWMT-NSHDSACASA-N 2 2 250.346 0.720 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635127743 372384701 /nfs/dbraw/zinc/38/47/01/372384701.db2.gz UWWWMBCGKBCWMT-NSHDSACASA-N 2 2 250.346 0.720 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC000635312825 372455353 /nfs/dbraw/zinc/45/53/53/372455353.db2.gz GGSVMWAOBWKYOJ-AWEZNQCLSA-N 2 2 295.427 0.699 20 0 CCADLP CCc1c[nH]c(CC(=O)NCC[N@H+](C)C2CC2)[nH+]1 ZINC000635422623 372504411 /nfs/dbraw/zinc/50/44/11/372504411.db2.gz YSXXXPWAHLVLKD-UHFFFAOYSA-N 2 2 250.346 0.725 20 0 CCADLP CCc1c[nH]c(CC(=O)NCC[N@@H+](C)C2CC2)[nH+]1 ZINC000635422623 372504416 /nfs/dbraw/zinc/50/44/16/372504416.db2.gz YSXXXPWAHLVLKD-UHFFFAOYSA-N 2 2 250.346 0.725 20 0 CCADLP COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635531622 372593868 /nfs/dbraw/zinc/59/38/68/372593868.db2.gz UYLVUMZZMMIWRZ-JHJVBQTASA-N 2 2 292.383 0.740 20 0 CCADLP COCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635531622 372593876 /nfs/dbraw/zinc/59/38/76/372593876.db2.gz UYLVUMZZMMIWRZ-JHJVBQTASA-N 2 2 292.383 0.740 20 0 CCADLP COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635531622 372593883 /nfs/dbraw/zinc/59/38/83/372593883.db2.gz UYLVUMZZMMIWRZ-JHJVBQTASA-N 2 2 292.383 0.740 20 0 CCADLP COCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635531622 372593889 /nfs/dbraw/zinc/59/38/89/372593889.db2.gz UYLVUMZZMMIWRZ-JHJVBQTASA-N 2 2 292.383 0.740 20 0 CCADLP CC(C)C[C@H](C(=O)NC[C@](C)(O)C[NH+](C)C)n1cc[nH+]c1 ZINC000635727535 372822698 /nfs/dbraw/zinc/82/26/98/372822698.db2.gz LXWNTJBPCJVYCY-HIFRSBDPSA-N 2 2 296.415 0.899 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000333239289 205144218 /nfs/dbraw/zinc/14/42/18/205144218.db2.gz DNKOQAPPJJIWDX-IGQOVBAYSA-N 2 2 256.390 0.894 20 0 CCADLP C[C@@H]1CN(C(=O)NCc2ccn3cc[nH+]c3c2)CC[NH2+]1 ZINC000333350729 205242038 /nfs/dbraw/zinc/24/20/38/205242038.db2.gz JMXFCKUMNQWKFP-LLVKDONJSA-N 2 2 273.340 0.838 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2CC[NH+]2C2CCCC2)CC[N@@H+]1CCO ZINC000635823719 372960908 /nfs/dbraw/zinc/96/09/08/372960908.db2.gz SXZXJHXUEFBNKN-ZFWWWQNUSA-N 2 2 295.427 0.528 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2CC[NH+]2C2CCCC2)CC[N@H+]1CCO ZINC000635823719 372960914 /nfs/dbraw/zinc/96/09/14/372960914.db2.gz SXZXJHXUEFBNKN-ZFWWWQNUSA-N 2 2 295.427 0.528 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+]2C2CCCC2)CC[NH+]1CCO ZINC000635823719 372960917 /nfs/dbraw/zinc/96/09/17/372960917.db2.gz SXZXJHXUEFBNKN-ZFWWWQNUSA-N 2 2 295.427 0.528 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2CC[N@H+]2C2CCCC2)CC[NH+]1CCO ZINC000635823719 372960923 /nfs/dbraw/zinc/96/09/23/372960923.db2.gz SXZXJHXUEFBNKN-ZFWWWQNUSA-N 2 2 295.427 0.528 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ncon2)C1)[NH+](C)C ZINC000635915372 373099967 /nfs/dbraw/zinc/09/99/67/373099967.db2.gz VWOGOIORWCRXAL-VXGBXAGGSA-N 2 2 295.387 0.348 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ncon2)C1)[NH+](C)C ZINC000635915372 373099976 /nfs/dbraw/zinc/09/99/76/373099976.db2.gz VWOGOIORWCRXAL-VXGBXAGGSA-N 2 2 295.387 0.348 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)[nH+]1 ZINC000635975051 373187010 /nfs/dbraw/zinc/18/70/10/373187010.db2.gz LNSSRIAVXZTBRD-ZDUSSCGKSA-N 2 2 294.399 0.478 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@@H]2CCC[N@H+]2CCCO)[nH+]1 ZINC000635975051 373187023 /nfs/dbraw/zinc/18/70/23/373187023.db2.gz LNSSRIAVXZTBRD-ZDUSSCGKSA-N 2 2 294.399 0.478 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)[nH+]1 ZINC000636138681 373394066 /nfs/dbraw/zinc/39/40/66/373394066.db2.gz DDBUNKCVZFTEAU-KLPPZKSPSA-N 2 2 264.373 0.971 20 0 CCADLP CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)[C@H]1CC[NH+]1C1CCCC1 ZINC000636305786 373534829 /nfs/dbraw/zinc/53/48/29/373534829.db2.gz AIESEWRTRFJPGF-LSDHHAIUSA-N 2 2 295.427 0.792 20 0 CCADLP CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@H]1CC[NH+]1C1CCCC1 ZINC000636305786 373534831 /nfs/dbraw/zinc/53/48/31/373534831.db2.gz AIESEWRTRFJPGF-LSDHHAIUSA-N 2 2 295.427 0.792 20 0 CCADLP CN(C[C@@H]1C[NH+](C)CCO1)C(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000636305786 373534834 /nfs/dbraw/zinc/53/48/34/373534834.db2.gz AIESEWRTRFJPGF-LSDHHAIUSA-N 2 2 295.427 0.792 20 0 CCADLP CN(C[C@@H]1C[NH+](C)CCO1)C(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000636305786 373534837 /nfs/dbraw/zinc/53/48/37/373534837.db2.gz AIESEWRTRFJPGF-LSDHHAIUSA-N 2 2 295.427 0.792 20 0 CCADLP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636552108 373636371 /nfs/dbraw/zinc/63/63/71/373636371.db2.gz MDZHDMYGOVQHBW-VXGBXAGGSA-N 2 2 279.388 0.837 20 0 CCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636557688 373643266 /nfs/dbraw/zinc/64/32/66/373643266.db2.gz YNKQBGPPVNCROL-STQMWFEESA-N 2 2 291.399 0.981 20 0 CCADLP O=C(NCCn1cc[nH+]c1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636476864 373614891 /nfs/dbraw/zinc/61/48/91/373614891.db2.gz DQKIKLNWDDOZII-SNVBAGLBSA-N 2 2 260.301 0.004 20 0 CCADLP O=C(NCCC[NH+]1CCCCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636493362 373620833 /nfs/dbraw/zinc/62/08/33/373620833.db2.gz UEKIXIAOJZFBOO-CYBMUJFWSA-N 2 2 291.399 0.983 20 0 CCADLP O=C(NCCCCn1cc[nH+]c1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636621311 373677796 /nfs/dbraw/zinc/67/77/96/373677796.db2.gz IHZKZPYLXJJXEL-GFCCVEGCSA-N 2 2 288.355 0.784 20 0 CCADLP C[C@@H](NC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1=CC[N@@H+](C)CC1 ZINC000637033952 373890131 /nfs/dbraw/zinc/89/01/31/373890131.db2.gz NQMSEPLLWWSIKX-DGCLKSJQSA-N 2 2 289.383 0.757 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000637444363 374167251 /nfs/dbraw/zinc/16/72/51/374167251.db2.gz QWSVDLHVSLULNN-HZSPNIEDSA-N 2 2 296.415 0.053 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000637444363 374167256 /nfs/dbraw/zinc/16/72/56/374167256.db2.gz QWSVDLHVSLULNN-HZSPNIEDSA-N 2 2 296.415 0.053 20 0 CCADLP C[NH+]1CC[C@@H]2CCN(C(=O)NC[C@H]3COCC[N@@H+]3C)[C@@H]2C1 ZINC000637444363 374167262 /nfs/dbraw/zinc/16/72/62/374167262.db2.gz QWSVDLHVSLULNN-HZSPNIEDSA-N 2 2 296.415 0.053 20 0 CCADLP C[NH+]1CC[C@@H]2CCN(C(=O)NC[C@H]3COCC[N@H+]3C)[C@@H]2C1 ZINC000637444363 374167267 /nfs/dbraw/zinc/16/72/67/374167267.db2.gz QWSVDLHVSLULNN-HZSPNIEDSA-N 2 2 296.415 0.053 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@H]1COCC[NH+]1C ZINC000637445219 374170024 /nfs/dbraw/zinc/17/00/24/374170024.db2.gz XLOZWQVXXJMKLV-MCIONIFRSA-N 2 2 298.431 0.299 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@H]1COCC[NH+]1C ZINC000637445219 374170027 /nfs/dbraw/zinc/17/00/27/374170027.db2.gz XLOZWQVXXJMKLV-MCIONIFRSA-N 2 2 298.431 0.299 20 0 CCADLP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637445219 374170031 /nfs/dbraw/zinc/17/00/31/374170031.db2.gz XLOZWQVXXJMKLV-MCIONIFRSA-N 2 2 298.431 0.299 20 0 CCADLP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637445219 374170035 /nfs/dbraw/zinc/17/00/35/374170035.db2.gz XLOZWQVXXJMKLV-MCIONIFRSA-N 2 2 298.431 0.299 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@H]1CCC[NH2+]C1)CC2 ZINC000637806308 374336328 /nfs/dbraw/zinc/33/63/28/374336328.db2.gz WQJXHTKXZWKJKZ-NWDGAFQWSA-N 2 2 262.357 0.622 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000637819985 374356117 /nfs/dbraw/zinc/35/61/17/374356117.db2.gz LEKZMBPXSYJZBS-KOLCDFICSA-N 2 2 250.346 0.765 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000637819985 374356125 /nfs/dbraw/zinc/35/61/25/374356125.db2.gz LEKZMBPXSYJZBS-KOLCDFICSA-N 2 2 250.346 0.765 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)[nH+]1 ZINC000637849920 374405847 /nfs/dbraw/zinc/40/58/47/374405847.db2.gz SWAFDECHEBGVHQ-KOLCDFICSA-N 2 2 250.346 0.710 20 0 CCADLP C[C@H](C(=O)Nc1ccc([C@H](C)[NH3+])cc1)N1CC[NH2+]CC1=O ZINC000637856199 374413973 /nfs/dbraw/zinc/41/39/73/374413973.db2.gz JEELDQDLQMWBNO-WDEREUQCSA-N 2 2 290.367 0.465 20 0 CCADLP Cc1nc(N)c(CNC(=O)c2c[nH+]ccc2N(C)C)c[nH+]1 ZINC000568437908 291594331 /nfs/dbraw/zinc/59/43/31/291594331.db2.gz YCYFWAKQCIQCBE-UHFFFAOYSA-N 2 2 286.339 0.589 20 0 CCADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC2(CC[NH2+]C2)CC1 ZINC000334284572 284456607 /nfs/dbraw/zinc/45/66/07/284456607.db2.gz JUTDBCSPNGNNRK-JTQLQIEISA-N 2 2 273.327 0.586 20 0 CCADLP CC(C)[NH+]1CCC(N(C)Cc2c[nH+]c(N)nc2N)CC1 ZINC000637887892 374450931 /nfs/dbraw/zinc/45/09/31/374450931.db2.gz ACVZCVDBCKEKSK-UHFFFAOYSA-N 2 2 278.404 0.606 20 0 CCADLP CC(C)[NH+]1CCC([N@H+](C)Cc2cnc(N)nc2N)CC1 ZINC000637887892 374450939 /nfs/dbraw/zinc/45/09/39/374450939.db2.gz ACVZCVDBCKEKSK-UHFFFAOYSA-N 2 2 278.404 0.606 20 0 CCADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cnc(N)nc2N)CC1 ZINC000637887892 374450946 /nfs/dbraw/zinc/45/09/46/374450946.db2.gz ACVZCVDBCKEKSK-UHFFFAOYSA-N 2 2 278.404 0.606 20 0 CCADLP CCC[NH+]1CCC(N(C)Cc2c[nH+]c(N)nc2N)CC1 ZINC000637954976 374503872 /nfs/dbraw/zinc/50/38/72/374503872.db2.gz AOPLVFMBTZIXPW-UHFFFAOYSA-N 2 2 278.404 0.608 20 0 CCADLP CCC[NH+]1CCC([N@H+](C)Cc2cnc(N)nc2N)CC1 ZINC000637954976 374503873 /nfs/dbraw/zinc/50/38/73/374503873.db2.gz AOPLVFMBTZIXPW-UHFFFAOYSA-N 2 2 278.404 0.608 20 0 CCADLP CCC[NH+]1CCC([N@@H+](C)Cc2cnc(N)nc2N)CC1 ZINC000637954976 374503880 /nfs/dbraw/zinc/50/38/80/374503880.db2.gz AOPLVFMBTZIXPW-UHFFFAOYSA-N 2 2 278.404 0.608 20 0 CCADLP CC(C)(CNC(=O)C1=CC[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000638048779 374592221 /nfs/dbraw/zinc/59/22/21/374592221.db2.gz HBQJGWSBWFKZJV-GFCCVEGCSA-N 2 2 267.373 0.261 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@H]([NH3+])CCC(C)C)CC1 ZINC000638057308 374601652 /nfs/dbraw/zinc/60/16/52/374601652.db2.gz APIIQBGQSOITCU-CQSZACIVSA-N 2 2 285.432 0.931 20 0 CCADLP C[C@@]1(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C[NH2+]CCO1 ZINC000638075132 374630967 /nfs/dbraw/zinc/63/09/67/374630967.db2.gz CDEQEVMGVGXDML-RISCZKNCSA-N 2 2 278.356 0.494 20 0 CCADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000638077969 374635905 /nfs/dbraw/zinc/63/59/05/374635905.db2.gz ZMEYAEZSCZWGDO-TYNCELHUSA-N 2 2 292.383 0.883 20 0 CCADLP C[C@@]1(C(=O)NCC[NH+]2Cc3ccccc3C2)C[NH2+]CCO1 ZINC000638080731 374636754 /nfs/dbraw/zinc/63/67/54/374636754.db2.gz XSRVZTCWHLRARZ-INIZCTEOSA-N 2 2 289.379 0.497 20 0 CCADLP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000638070251 374620146 /nfs/dbraw/zinc/62/01/46/374620146.db2.gz PNQROOWLJAUJQN-STQMWFEESA-N 2 2 271.405 0.587 20 0 CCADLP CC[N@@H+]1CC[C@H](N(C)Cc2c[nH+]c(N)nc2N)C[C@@H]1C ZINC000638111080 374678913 /nfs/dbraw/zinc/67/89/13/374678913.db2.gz QOCAAUHXQYFYBG-JQWIXIFHSA-N 2 2 278.404 0.606 20 0 CCADLP CC[N@H+]1CC[C@H](N(C)Cc2c[nH+]c(N)nc2N)C[C@@H]1C ZINC000638111080 374678918 /nfs/dbraw/zinc/67/89/18/374678918.db2.gz QOCAAUHXQYFYBG-JQWIXIFHSA-N 2 2 278.404 0.606 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(N)nc2N)C[C@@H]1C ZINC000638111080 374678922 /nfs/dbraw/zinc/67/89/22/374678922.db2.gz QOCAAUHXQYFYBG-JQWIXIFHSA-N 2 2 278.404 0.606 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(N)nc2N)C[C@@H]1C ZINC000638111080 374678927 /nfs/dbraw/zinc/67/89/27/374678927.db2.gz QOCAAUHXQYFYBG-JQWIXIFHSA-N 2 2 278.404 0.606 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(N)nc2N)C[C@@H]1C ZINC000638111080 374678932 /nfs/dbraw/zinc/67/89/32/374678932.db2.gz QOCAAUHXQYFYBG-JQWIXIFHSA-N 2 2 278.404 0.606 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(N)nc2N)C[C@@H]1C ZINC000638111080 374678936 /nfs/dbraw/zinc/67/89/36/374678936.db2.gz QOCAAUHXQYFYBG-JQWIXIFHSA-N 2 2 278.404 0.606 20 0 CCADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000638116817 374682263 /nfs/dbraw/zinc/68/22/63/374682263.db2.gz HACSNQNEZSRRLW-SWLSCSKDSA-N 2 2 292.383 0.883 20 0 CCADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000638116817 374682267 /nfs/dbraw/zinc/68/22/67/374682267.db2.gz HACSNQNEZSRRLW-SWLSCSKDSA-N 2 2 292.383 0.883 20 0 CCADLP C[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000638116272 374682985 /nfs/dbraw/zinc/68/29/85/374682985.db2.gz JAYWNOCZKHHUQY-NWDGAFQWSA-N 3 2 268.405 0.008 20 0 CCADLP C[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000638116272 374682988 /nfs/dbraw/zinc/68/29/88/374682988.db2.gz JAYWNOCZKHHUQY-NWDGAFQWSA-N 3 2 268.405 0.008 20 0 CCADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000638119364 374686850 /nfs/dbraw/zinc/68/68/50/374686850.db2.gz PQCGITNQSOLWDX-IUODEOHRSA-N 2 2 288.351 0.718 20 0 CCADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2[nH+]ccn2CC(C)C)C1 ZINC000638123608 374691111 /nfs/dbraw/zinc/69/11/11/374691111.db2.gz QXKRAVBBQAMGHX-SWLSCSKDSA-N 2 2 294.399 0.922 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000638171420 374753828 /nfs/dbraw/zinc/75/38/28/374753828.db2.gz VVQYIGCMDZNEPZ-UHFFFAOYSA-N 2 2 251.330 0.824 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)N1CCC[N@H+](C)CC1 ZINC000638171420 374753835 /nfs/dbraw/zinc/75/38/35/374753835.db2.gz VVQYIGCMDZNEPZ-UHFFFAOYSA-N 2 2 251.330 0.824 20 0 CCADLP Cn1cc(C[NH+]2CCN(C(=O)C3=CC[C@H]([NH3+])C3)CC2)cn1 ZINC000638139741 374709296 /nfs/dbraw/zinc/70/92/96/374709296.db2.gz GRXYOGSQFUTXFB-AWEZNQCLSA-N 2 2 289.383 0.112 20 0 CCADLP COCC[NH2+]CCNC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000638151207 374721758 /nfs/dbraw/zinc/72/17/58/374721758.db2.gz AWGDWIFTLYUSTF-UHFFFAOYSA-N 2 2 276.340 0.609 20 0 CCADLP CC(C)C[C@@H](C(=O)NCC1C[NH2+]C1)n1cc[nH+]c1 ZINC000638153981 374725154 /nfs/dbraw/zinc/72/51/54/374725154.db2.gz QBACAZIJPODBFS-LBPRGKRZSA-N 2 2 250.346 0.806 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000638213254 374801502 /nfs/dbraw/zinc/80/15/02/374801502.db2.gz XOAKRQXTQQHLMA-ZYHUDNBSSA-N 2 2 264.373 0.868 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000638196599 374776036 /nfs/dbraw/zinc/77/60/36/374776036.db2.gz FTXGZKOMTGUKSN-GFCCVEGCSA-N 2 2 250.346 0.717 20 0 CCADLP CCc1c[nH]c(CC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)[nH+]1 ZINC000638197971 374778124 /nfs/dbraw/zinc/77/81/24/374778124.db2.gz QIMOBOUUYCPIPO-TXEJJXNPSA-N 2 2 262.357 0.868 20 0 CCADLP [NH3+][C@H]1CC=C(C(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000638272821 374875214 /nfs/dbraw/zinc/87/52/14/374875214.db2.gz VGFSVWVLMIEDIV-HNNXBMFYSA-N 2 2 286.379 0.773 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000638278066 374882162 /nfs/dbraw/zinc/88/21/62/374882162.db2.gz PYXPCZUDCHAKNN-LBPRGKRZSA-N 2 2 279.388 0.062 20 0 CCADLP COc1cccc([C@H]([NH3+])C(=O)N2CC[NH2+]C[C@](C)(F)C2)c1 ZINC000638255108 374850583 /nfs/dbraw/zinc/85/05/83/374850583.db2.gz XCCVGXYUAJCFFA-ZFWWWQNUSA-N 2 2 295.358 0.855 20 0 CCADLP [NH3+]CC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(F)F ZINC000638259540 374855885 /nfs/dbraw/zinc/85/58/85/374855885.db2.gz REXAUSQRFFEGHN-PRJMDXOYSA-N 2 2 258.272 0.612 20 0 CCADLP [NH3+]CC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(F)F ZINC000638259540 374855889 /nfs/dbraw/zinc/85/58/89/374855889.db2.gz REXAUSQRFFEGHN-PRJMDXOYSA-N 2 2 258.272 0.612 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000638342279 374942462 /nfs/dbraw/zinc/94/24/62/374942462.db2.gz PKVXEBOFHCTKEL-MWLCHTKSSA-N 2 2 250.346 0.704 20 0 CCADLP Nc1nc(N)c(CN[C@@H]2CC[N@@H+]3CCCC[C@H]23)c[nH+]1 ZINC000638368640 374965313 /nfs/dbraw/zinc/96/53/13/374965313.db2.gz LIRWYQVMSDXPFA-GHMZBOCLSA-N 2 2 262.361 0.018 20 0 CCADLP Nc1nc(N)c(CN[C@@H]2CC[N@H+]3CCCC[C@H]23)c[nH+]1 ZINC000638368640 374965317 /nfs/dbraw/zinc/96/53/17/374965317.db2.gz LIRWYQVMSDXPFA-GHMZBOCLSA-N 2 2 262.361 0.018 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638394733 374987999 /nfs/dbraw/zinc/98/79/99/374987999.db2.gz HLGMRCIRUJJDJK-RVMXOQNASA-N 2 2 271.405 0.598 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638394733 374988006 /nfs/dbraw/zinc/98/80/06/374988006.db2.gz HLGMRCIRUJJDJK-RVMXOQNASA-N 2 2 271.405 0.598 20 0 CCADLP CC[NH2+][C@H](C)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638394731 374988110 /nfs/dbraw/zinc/98/81/10/374988110.db2.gz HLGMRCIRUJJDJK-FVCCEPFGSA-N 2 2 271.405 0.598 20 0 CCADLP CC[NH2+][C@H](C)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638394731 374988115 /nfs/dbraw/zinc/98/81/15/374988115.db2.gz HLGMRCIRUJJDJK-FVCCEPFGSA-N 2 2 271.405 0.598 20 0 CCADLP C[C@H]([NH3+])CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000638424441 375021661 /nfs/dbraw/zinc/02/16/61/375021661.db2.gz AHJFAAQWWRZVSS-GXTWGEPZSA-N 3 2 282.432 0.351 20 0 CCADLP C[C@H]([NH3+])CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000638424441 375021664 /nfs/dbraw/zinc/02/16/64/375021664.db2.gz AHJFAAQWWRZVSS-GXTWGEPZSA-N 3 2 282.432 0.351 20 0 CCADLP Cc1cc(NCCNC(=O)C2([NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000638583488 375165054 /nfs/dbraw/zinc/16/50/54/375165054.db2.gz KXVTWAKWXCQPCE-UHFFFAOYSA-N 2 2 277.372 0.350 20 0 CCADLP Cc1[nH+]c2ccccc2n1CC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638616233 375205910 /nfs/dbraw/zinc/20/59/10/375205910.db2.gz OYYHHUMJHWEUOV-GFCCVEGCSA-N 2 2 288.351 0.449 20 0 CCADLP O=C(NC[C@H]1COCC[NH2+]1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000638620087 375215451 /nfs/dbraw/zinc/21/54/51/375215451.db2.gz YPBWEYKFUCPBMZ-ZDUSSCGKSA-N 2 2 286.335 0.591 20 0 CCADLP Cc1cn2ccc(C(=O)N(C)CCOCC[NH3+])cc2[nH+]1 ZINC000638672276 375275966 /nfs/dbraw/zinc/27/59/66/375275966.db2.gz CGEINYRJUYNRCH-UHFFFAOYSA-N 2 2 276.340 0.690 20 0 CCADLP C[NH2+]CCC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000638731894 375325154 /nfs/dbraw/zinc/32/51/54/375325154.db2.gz RQZVSSLIAMRPHQ-AWEZNQCLSA-N 2 2 292.383 0.008 20 0 CCADLP C[NH2+]CCC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000638731894 375325158 /nfs/dbraw/zinc/32/51/58/375325158.db2.gz RQZVSSLIAMRPHQ-AWEZNQCLSA-N 2 2 292.383 0.008 20 0 CCADLP O=C(N[C@@H]1CC[NH2+]C1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000638791407 375358445 /nfs/dbraw/zinc/35/84/45/375358445.db2.gz LTFKUAGHQYNTRK-SNVBAGLBSA-N 2 2 257.297 0.359 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1C[C@H]([NH3+])C[C@@H]1C)CC2 ZINC000638929577 375465567 /nfs/dbraw/zinc/46/55/67/375465567.db2.gz GUUAQYHCRMHXNK-QJPTWQEYSA-N 2 2 262.357 0.702 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000638932137 375468302 /nfs/dbraw/zinc/46/83/02/375468302.db2.gz ULBTWVHPMBQLMK-MNOVXSKESA-N 2 2 262.357 0.710 20 0 CCADLP C[C@@H](Cc1cnccn1)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000639218919 375641119 /nfs/dbraw/zinc/64/11/19/375641119.db2.gz QDNWICNSORDOPB-ZFWWWQNUSA-N 2 2 278.400 0.844 20 0 CCADLP C[C@@H](Cc1cnccn1)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000639218919 375641124 /nfs/dbraw/zinc/64/11/24/375641124.db2.gz QDNWICNSORDOPB-ZFWWWQNUSA-N 2 2 278.400 0.844 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000639349169 375748922 /nfs/dbraw/zinc/74/89/22/375748922.db2.gz MHSXSQCFNKNUNC-CRWXNKLISA-N 2 2 265.401 0.962 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000639349169 375748926 /nfs/dbraw/zinc/74/89/26/375748926.db2.gz MHSXSQCFNKNUNC-CRWXNKLISA-N 2 2 265.401 0.962 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CS1 ZINC000639349755 375751633 /nfs/dbraw/zinc/75/16/33/375751633.db2.gz QDHDPBBSEIIBLZ-UTUOFQBUSA-N 2 2 271.430 0.810 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CS1 ZINC000639349755 375751640 /nfs/dbraw/zinc/75/16/40/375751640.db2.gz QDHDPBBSEIIBLZ-UTUOFQBUSA-N 2 2 271.430 0.810 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000639531506 375825447 /nfs/dbraw/zinc/82/54/47/375825447.db2.gz ICUDJUZURWDGDC-CYBMUJFWSA-N 2 2 283.397 0.614 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000639531506 375825449 /nfs/dbraw/zinc/82/54/49/375825449.db2.gz ICUDJUZURWDGDC-CYBMUJFWSA-N 2 2 283.397 0.614 20 0 CCADLP COC[C@@H]1C[N@H+](CCc2c[nH+]cn2C)C[C@H](C)O1 ZINC000639603929 375854004 /nfs/dbraw/zinc/85/40/04/375854004.db2.gz IAJHZMJSEFTEHP-AAEUAGOBSA-N 2 2 253.346 0.698 20 0 CCADLP COC[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)C[C@H](C)O1 ZINC000639603929 375854008 /nfs/dbraw/zinc/85/40/08/375854008.db2.gz IAJHZMJSEFTEHP-AAEUAGOBSA-N 2 2 253.346 0.698 20 0 CCADLP COCCOC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000656702235 412843018 /nfs/dbraw/zinc/84/30/18/412843018.db2.gz MUFKDFZNOVLEBM-QWHCGFSZSA-N 2 2 274.405 0.473 20 0 CCADLP COCCOC[C@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000656702235 412843021 /nfs/dbraw/zinc/84/30/21/412843021.db2.gz MUFKDFZNOVLEBM-QWHCGFSZSA-N 2 2 274.405 0.473 20 0 CCADLP O=C1[C@@H]([NH+]2CCN(c3[nH]cc[nH+]3)CC2)CCN1C1CCC1 ZINC000639626522 375871108 /nfs/dbraw/zinc/87/11/08/375871108.db2.gz IXTOOXDSYYGIGP-ZDUSSCGKSA-N 2 2 289.383 0.685 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC000639661518 375895932 /nfs/dbraw/zinc/89/59/32/375895932.db2.gz ZEIDOPGRFUZOQE-CYBMUJFWSA-N 2 2 293.415 0.590 20 0 CCADLP C[C@@H]1CN(CCc2c[nH+]cn2C)[C@@H](C)C[N@@H+]1CCO ZINC000639675007 375905627 /nfs/dbraw/zinc/90/56/27/375905627.db2.gz YNHOQBPZMJBLPB-QWHCGFSZSA-N 2 2 266.389 0.350 20 0 CCADLP C[C@@H]1CN(CCc2c[nH+]cn2C)[C@@H](C)C[N@H+]1CCO ZINC000639675007 375905631 /nfs/dbraw/zinc/90/56/31/375905631.db2.gz YNHOQBPZMJBLPB-QWHCGFSZSA-N 2 2 266.389 0.350 20 0 CCADLP OCC(F)(F)CN1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000639736868 375962554 /nfs/dbraw/zinc/96/25/54/375962554.db2.gz BDKKZNPITULXJV-UHFFFAOYSA-N 2 2 274.315 0.128 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCn2cccn2)C1 ZINC000639765026 375993671 /nfs/dbraw/zinc/99/36/71/375993671.db2.gz YSCSUNHKRSPMBO-ZDUSSCGKSA-N 2 2 252.362 0.272 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCn2cccn2)C1 ZINC000639765026 375993677 /nfs/dbraw/zinc/99/36/77/375993677.db2.gz YSCSUNHKRSPMBO-ZDUSSCGKSA-N 2 2 252.362 0.272 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+]([C@H]2CCN(C(C)(C)C)C2=O)C1 ZINC000639760826 375985023 /nfs/dbraw/zinc/98/50/23/375985023.db2.gz BBFMUTQNAZIZAV-XJKSGUPXSA-N 2 2 297.443 0.774 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+]([C@H]2CCN(C(C)(C)C)C2=O)C1 ZINC000639760826 375985030 /nfs/dbraw/zinc/98/50/30/375985030.db2.gz BBFMUTQNAZIZAV-XJKSGUPXSA-N 2 2 297.443 0.774 20 0 CCADLP Cc1nocc1C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762553 375986948 /nfs/dbraw/zinc/98/69/48/375986948.db2.gz MGYWUJJBYGOYQC-CYBMUJFWSA-N 2 2 253.346 0.872 20 0 CCADLP Cc1nocc1C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762553 375986957 /nfs/dbraw/zinc/98/69/57/375986957.db2.gz MGYWUJJBYGOYQC-CYBMUJFWSA-N 2 2 253.346 0.872 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000071276097 284557313 /nfs/dbraw/zinc/55/73/13/284557313.db2.gz RKLGDCSXZIOCEX-CQSZACIVSA-N 2 2 270.336 0.923 20 0 CCADLP CO[C@@H]1C[N@H+](CCc2c[nH+]cn2C)[C@@](C)(CO)C1 ZINC000640007319 376185357 /nfs/dbraw/zinc/18/53/57/376185357.db2.gz ZWMZBKVCPBNHJL-QWHCGFSZSA-N 2 2 253.346 0.434 20 0 CCADLP CO[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)[C@@](C)(CO)C1 ZINC000640007319 376185360 /nfs/dbraw/zinc/18/53/60/376185360.db2.gz ZWMZBKVCPBNHJL-QWHCGFSZSA-N 2 2 253.346 0.434 20 0 CCADLP CCn1nccc1CC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051615 376216884 /nfs/dbraw/zinc/21/68/84/376216884.db2.gz SIEUEEWZTPKHEY-UHFFFAOYSA-N 2 2 293.415 0.151 20 0 CCADLP CCn1nccc1CC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051615 376216888 /nfs/dbraw/zinc/21/68/88/376216888.db2.gz SIEUEEWZTPKHEY-UHFFFAOYSA-N 2 2 293.415 0.151 20 0 CCADLP COCC[C@@H](C)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640057923 376223014 /nfs/dbraw/zinc/22/30/14/376223014.db2.gz IOCYMKKCUPUIFS-GFCCVEGCSA-N 2 2 257.378 0.117 20 0 CCADLP COCC[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640057923 376223019 /nfs/dbraw/zinc/22/30/19/376223019.db2.gz IOCYMKKCUPUIFS-GFCCVEGCSA-N 2 2 257.378 0.117 20 0 CCADLP C[C@@H](c1cccnc1)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093235846 296241188 /nfs/dbraw/zinc/24/11/88/296241188.db2.gz SEXGCBKHZAQZQK-ZDUSSCGKSA-N 2 2 276.384 0.848 20 0 CCADLP C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093235846 296241190 /nfs/dbraw/zinc/24/11/90/296241190.db2.gz SEXGCBKHZAQZQK-ZDUSSCGKSA-N 2 2 276.384 0.848 20 0 CCADLP Cn1nnnc1C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640531232 376414497 /nfs/dbraw/zinc/41/44/97/376414497.db2.gz MSDFEDYQPAAGDD-UHFFFAOYSA-N 2 2 266.393 0.908 20 0 CCADLP Cn1nnnc1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640531232 376414506 /nfs/dbraw/zinc/41/45/06/376414506.db2.gz MSDFEDYQPAAGDD-UHFFFAOYSA-N 2 2 266.393 0.908 20 0 CCADLP COc1c(C)c[nH+]c(Cn2cc([C@H]([NH3+])CO)nn2)c1C ZINC000640954021 376638474 /nfs/dbraw/zinc/63/84/74/376638474.db2.gz CHEVACBRBDOIIR-SNVBAGLBSA-N 2 2 277.328 0.339 20 0 CCADLP c1cn(CCCn2cc(C[C@@H]3CC[NH2+]C3)nn2)c[nH+]1 ZINC000641054914 376722226 /nfs/dbraw/zinc/72/22/26/376722226.db2.gz PQWIIILKKPYRNB-LBPRGKRZSA-N 2 2 260.345 0.717 20 0 CCADLP Cc1[nH+]cccc1Cn1cc(CN2CC[NH+](C)CC2)nn1 ZINC000641050511 376715830 /nfs/dbraw/zinc/71/58/30/376715830.db2.gz BZNOXHJCBJVLDP-UHFFFAOYSA-N 2 2 286.383 0.777 20 0 CCADLP Cc1[nH+]ccn1CCCCn1cc(C[N@H+](C)CCO)nn1 ZINC000641150522 376811992 /nfs/dbraw/zinc/81/19/92/376811992.db2.gz KFFCQTJDTCQNNG-UHFFFAOYSA-N 2 2 292.387 0.688 20 0 CCADLP Cc1[nH+]ccn1CCCCn1cc(C[N@@H+](C)CCO)nn1 ZINC000641150522 376812000 /nfs/dbraw/zinc/81/20/00/376812000.db2.gz KFFCQTJDTCQNNG-UHFFFAOYSA-N 2 2 292.387 0.688 20 0 CCADLP Cc1[nH+]ccn1CCCCn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000641150386 376812196 /nfs/dbraw/zinc/81/21/96/376812196.db2.gz INTHZFUTLUBWBQ-AWEZNQCLSA-N 2 2 290.371 0.924 20 0 CCADLP C[C@H](CNS(=O)(=O)CCn1cc[nH+]c1)[N@H+](C)C1CC1 ZINC000641337815 377004640 /nfs/dbraw/zinc/00/46/40/377004640.db2.gz JDNCAAFFLYQDDD-LLVKDONJSA-N 2 2 286.401 0.285 20 0 CCADLP C[C@H](CNS(=O)(=O)CCn1cc[nH+]c1)[N@@H+](C)C1CC1 ZINC000641337815 377004644 /nfs/dbraw/zinc/00/46/44/377004644.db2.gz JDNCAAFFLYQDDD-LLVKDONJSA-N 2 2 286.401 0.285 20 0 CCADLP CC(C)(CNC(=O)C[NH+]1C2CCC1CC2)[NH+]1CCOCC1 ZINC000641440623 377120555 /nfs/dbraw/zinc/12/05/55/377120555.db2.gz NTAQQKRUTKYJRD-UHFFFAOYSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)CCn1cc[nH+]c1 ZINC000641407604 377081155 /nfs/dbraw/zinc/08/11/55/377081155.db2.gz DENRAAMEYDAKIJ-VXGBXAGGSA-N 2 2 286.401 0.237 20 0 CCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)CCn1cc[nH+]c1 ZINC000641407604 377081164 /nfs/dbraw/zinc/08/11/64/377081164.db2.gz DENRAAMEYDAKIJ-VXGBXAGGSA-N 2 2 286.401 0.237 20 0 CCADLP C[C@H](Nc1cc(CO)cc[nH+]1)[C@@H]1C[N@H+](C)CCO1 ZINC000641449718 377132442 /nfs/dbraw/zinc/13/24/42/377132442.db2.gz MLMHSQMIGYBSIU-JQWIXIFHSA-N 2 2 251.330 0.705 20 0 CCADLP C[C@H](Nc1cc(CO)cc[nH+]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000641449718 377132452 /nfs/dbraw/zinc/13/24/52/377132452.db2.gz MLMHSQMIGYBSIU-JQWIXIFHSA-N 2 2 251.330 0.705 20 0 CCADLP Nc1nc(N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccccc2)nc(N)[nH+]1 ZINC000641682406 377386328 /nfs/dbraw/zinc/38/63/28/377386328.db2.gz ZLOPXLMWEGTNBI-RYUDHWBXSA-N 2 2 297.366 0.160 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1cnc2cnccn12 ZINC000641773158 377455152 /nfs/dbraw/zinc/45/51/52/377455152.db2.gz VIFNDPGUFDIEJI-ZDUSSCGKSA-N 2 2 291.399 0.912 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1cnn(C)c1 ZINC000641773229 377455421 /nfs/dbraw/zinc/45/54/21/377455421.db2.gz WVHJUNFZWGOIKG-ZDUSSCGKSA-N 2 2 254.378 0.603 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1c[nH]nc1C ZINC000641772326 377456179 /nfs/dbraw/zinc/45/61/79/377456179.db2.gz OXTXKAKFVHDBOU-ZDUSSCGKSA-N 2 2 254.378 0.901 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1nccs1 ZINC000641801175 377471222 /nfs/dbraw/zinc/47/12/22/377471222.db2.gz AUNNHEDTDIQMKW-SFYZADRCSA-N 2 2 254.359 0.797 20 0 CCADLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1nccs1 ZINC000641801176 377471377 /nfs/dbraw/zinc/47/13/77/377471377.db2.gz AUNNHEDTDIQMKW-YUMQZZPRSA-N 2 2 254.359 0.797 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@H]1CCOC1 ZINC000351967948 249006219 /nfs/dbraw/zinc/00/62/19/249006219.db2.gz NYSAAMMDNYRSFA-CQSZACIVSA-N 2 2 297.443 0.897 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@H]1CCOC1 ZINC000351967948 249006222 /nfs/dbraw/zinc/00/62/22/249006222.db2.gz NYSAAMMDNYRSFA-CQSZACIVSA-N 2 2 297.443 0.897 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCC1CC[NH+](C)CC1 ZINC000516035846 249148840 /nfs/dbraw/zinc/14/88/40/249148840.db2.gz UYHDOAFLLRNSKL-UHFFFAOYSA-N 2 2 264.373 0.811 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC000516323250 249162047 /nfs/dbraw/zinc/16/20/47/249162047.db2.gz IBZYWMDTDXJLFE-LLVKDONJSA-N 2 2 276.340 0.358 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC000516323250 249162049 /nfs/dbraw/zinc/16/20/49/249162049.db2.gz IBZYWMDTDXJLFE-LLVKDONJSA-N 2 2 276.340 0.358 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000515682074 249143148 /nfs/dbraw/zinc/14/31/48/249143148.db2.gz JAJHSLDYULJQTN-UHFFFAOYSA-N 2 2 288.355 0.425 20 0 CCADLP Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)C[NH3+])on1 ZINC000515847775 249145947 /nfs/dbraw/zinc/14/59/47/249145947.db2.gz KFJGGWIMGLYUCZ-QWRGUYRKSA-N 2 2 284.335 0.313 20 0 CCADLP Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)C[NH3+])on1 ZINC000515847775 249145949 /nfs/dbraw/zinc/14/59/49/249145949.db2.gz KFJGGWIMGLYUCZ-QWRGUYRKSA-N 2 2 284.335 0.313 20 0 CCADLP O=C(NCC[NH+]1CCOCC1)NCC[NH+]1CCCCCC1 ZINC000642616176 377586982 /nfs/dbraw/zinc/58/69/82/377586982.db2.gz CEMHWKNZIGLGRX-UHFFFAOYSA-N 2 2 298.431 0.494 20 0 CCADLP C[N@@H+]1CCN(c2ccnc(C(C)(C)C)n2)[C@H](C[NH3+])C1 ZINC000643016697 377689658 /nfs/dbraw/zinc/68/96/58/377689658.db2.gz HBEIVCPVSYZOBU-LLVKDONJSA-N 2 2 263.389 0.853 20 0 CCADLP C[N@H+]1CCN(c2ccnc(C(C)(C)C)n2)[C@H](C[NH3+])C1 ZINC000643016697 377689664 /nfs/dbraw/zinc/68/96/64/377689664.db2.gz HBEIVCPVSYZOBU-LLVKDONJSA-N 2 2 263.389 0.853 20 0 CCADLP C[C@@H]1CN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)[C@H](C)C[NH2+]1 ZINC000643023155 377691894 /nfs/dbraw/zinc/69/18/94/377691894.db2.gz XKMNVJILMOUPLY-UPJWGTAASA-N 2 2 291.399 0.624 20 0 CCADLP C[C@H]1CN(c2cc(-n3cccn3)nc(N)[nH+]2)[C@@H](C)C[NH2+]1 ZINC000643023149 377692627 /nfs/dbraw/zinc/69/26/27/377692627.db2.gz XHBZUWJRJBMFPV-UWVGGRQHSA-N 2 2 273.344 0.261 20 0 CCADLP Nc1nc(-n2cccn2)cc(N2CC[C@H]3CC[NH2+][C@H]3C2)[nH+]1 ZINC000643031133 377697001 /nfs/dbraw/zinc/69/70/01/377697001.db2.gz HVGXVDJTZOXOFS-MNOVXSKESA-N 2 2 285.355 0.263 20 0 CCADLP CC(C)c1nc(N2CCC[C@H]([NH3+])C2)nc(N(C)C)[nH+]1 ZINC000642986939 377680286 /nfs/dbraw/zinc/68/02/86/377680286.db2.gz QYGKHCBSKMXMKN-JTQLQIEISA-N 2 2 264.377 0.989 20 0 CCADLP Cc1cc(N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)nc[nH+]1 ZINC000642994944 377681921 /nfs/dbraw/zinc/68/19/21/377681921.db2.gz QWCNSROWDCTQPF-CYBMUJFWSA-N 2 2 289.383 0.433 20 0 CCADLP C[C@H]1CCN(c2cc(N3CCOCC3)nc[nH+]2)C[C@@H]1C[NH3+] ZINC000643052225 377706357 /nfs/dbraw/zinc/70/63/57/377706357.db2.gz FXJQRRWOXYJVDF-STQMWFEESA-N 2 2 291.399 0.734 20 0 CCADLP C[C@H]1CCN(c2cc(N3CCOCC3)[nH+]cn2)C[C@@H]1C[NH3+] ZINC000643052225 377706364 /nfs/dbraw/zinc/70/63/64/377706364.db2.gz FXJQRRWOXYJVDF-STQMWFEESA-N 2 2 291.399 0.734 20 0 CCADLP C[C@@H]1CCN(c2ncnc3c2C[N@H+](C)CC3)C[C@H]1C[NH3+] ZINC000643052333 377706774 /nfs/dbraw/zinc/70/67/74/377706774.db2.gz SSSJNSMPNHREKK-VXGBXAGGSA-N 2 2 275.400 0.886 20 0 CCADLP C[C@@H]1CCN(c2ncnc3c2C[N@@H+](C)CC3)C[C@H]1C[NH3+] ZINC000643052333 377706779 /nfs/dbraw/zinc/70/67/79/377706779.db2.gz SSSJNSMPNHREKK-VXGBXAGGSA-N 2 2 275.400 0.886 20 0 CCADLP Cc1nc(F)ccc1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000278576961 194052941 /nfs/dbraw/zinc/05/29/41/194052941.db2.gz XZRJAIIMZSCQAT-CYBMUJFWSA-N 2 2 255.337 0.931 20 0 CCADLP C[C@]1(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CCC[NH2+]1 ZINC000569920094 291719048 /nfs/dbraw/zinc/71/90/48/291719048.db2.gz HWEPYBWVSMEZKH-GXSJLCMTSA-N 2 2 261.316 0.490 20 0 CCADLP CC(C)(C(=O)NCCCn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000278770402 194147219 /nfs/dbraw/zinc/14/72/19/194147219.db2.gz XAFIRHFBWOAIDE-UHFFFAOYSA-N 2 2 280.372 0.500 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCOC(C)(C)C2)[C@@H](C[NH3+])C1 ZINC000574742064 335043886 /nfs/dbraw/zinc/04/38/86/335043886.db2.gz PIGZUKVUSBVSCI-NEPJUHHUSA-N 2 2 284.404 0.228 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCOC(C)(C)C2)[C@@H](C[NH3+])C1 ZINC000574742064 335043887 /nfs/dbraw/zinc/04/38/87/335043887.db2.gz PIGZUKVUSBVSCI-NEPJUHHUSA-N 2 2 284.404 0.228 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC000279066374 194269902 /nfs/dbraw/zinc/26/99/02/194269902.db2.gz DSATVDCYYOYXMH-LBPRGKRZSA-N 2 2 266.345 0.062 20 0 CCADLP CCNC(=O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657292462 412951880 /nfs/dbraw/zinc/95/18/80/412951880.db2.gz OLHDBQQOUZBZCR-UHFFFAOYSA-N 2 2 259.313 0.493 20 0 CCADLP O=C(NCC[C@H]1CCC[NH2+]1)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000418582772 295654548 /nfs/dbraw/zinc/65/45/48/295654548.db2.gz VTZUOIRMZQPCHN-WDEREUQCSA-N 2 2 290.358 0.673 20 0 CCADLP C[C@@H]1CSC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000334942464 207329575 /nfs/dbraw/zinc/32/95/75/207329575.db2.gz CRZSHQHRNCNSHT-GHMZBOCLSA-N 2 2 257.403 0.102 20 0 CCADLP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2cscn2)C[C@@H]1C[NH3+] ZINC000571324735 291806994 /nfs/dbraw/zinc/80/69/94/291806994.db2.gz GPWCCFPYGFDXHF-YWVKMMECSA-N 2 2 268.386 0.586 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)C[NH+]1CC(C)(C)C1)C1CC1 ZINC000571342415 291808724 /nfs/dbraw/zinc/80/87/24/291808724.db2.gz FHMJCMUACZGOAC-GFCCVEGCSA-N 2 2 253.390 0.785 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000418689219 532990627 /nfs/dbraw/zinc/99/06/27/532990627.db2.gz BVEQXRGJIXRUSL-OLZOCXBDSA-N 2 2 291.399 0.645 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CC[C@H](C)O)CC1 ZINC000247255290 285046232 /nfs/dbraw/zinc/04/62/32/285046232.db2.gz FCHNKVXJPMIKLL-QWHCGFSZSA-N 2 2 271.405 0.242 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CC[C@H](C)O)CC1 ZINC000247255290 285046233 /nfs/dbraw/zinc/04/62/33/285046233.db2.gz FCHNKVXJPMIKLL-QWHCGFSZSA-N 2 2 271.405 0.242 20 0 CCADLP COc1ccccc1[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000449570662 533015186 /nfs/dbraw/zinc/01/51/86/533015186.db2.gz IESMWHWTTLUMDG-ZFWWWQNUSA-N 2 2 295.358 0.855 20 0 CCADLP O=C1NC(=O)[C@@]2(CCC[N@H+](CCC[NH+]3CCCCC3)C2)N1 ZINC000192647689 296358207 /nfs/dbraw/zinc/35/82/07/296358207.db2.gz PGYKVCSGJMPZQI-HNNXBMFYSA-N 2 2 294.399 0.536 20 0 CCADLP O=C1NC(=O)[C@@]2(CCC[N@@H+](CCC[NH+]3CCCCC3)C2)N1 ZINC000192647689 296358210 /nfs/dbraw/zinc/35/82/10/296358210.db2.gz PGYKVCSGJMPZQI-HNNXBMFYSA-N 2 2 294.399 0.536 20 0 CCADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000571850323 291841259 /nfs/dbraw/zinc/84/12/59/291841259.db2.gz CUDGEVBBKUAEKU-ZIAGYGMSSA-N 2 2 278.352 0.993 20 0 CCADLP Cc1c[nH]c(C[NH2+]C[C@H](C)C[NH+]2CCOCC2)n1 ZINC000657369961 412973460 /nfs/dbraw/zinc/97/34/60/412973460.db2.gz JLWCETMVVBRGGL-NSHDSACASA-N 2 2 252.362 0.776 20 0 CCADLP COCCNC(=O)[C@H](CC(C)C)[NH2+]Cc1c[nH+]cn1C ZINC000120288338 285070643 /nfs/dbraw/zinc/07/06/43/285070643.db2.gz YWRCKSOFDIOVBP-ZDUSSCGKSA-N 2 2 282.388 0.687 20 0 CCADLP CC[C@@H]1CN(C(=O)c2c[nH+]ccc2N)CC[N@@H+]1C[C@H](C)O ZINC000249089102 285101190 /nfs/dbraw/zinc/10/11/90/285101190.db2.gz UWAWLNURGWLARW-NWDGAFQWSA-N 2 2 292.383 0.581 20 0 CCADLP CC[C@@H]1CN(C(=O)c2c[nH+]ccc2N)CC[N@H+]1C[C@H](C)O ZINC000249089102 285101192 /nfs/dbraw/zinc/10/11/92/285101192.db2.gz UWAWLNURGWLARW-NWDGAFQWSA-N 2 2 292.383 0.581 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CCCNC(=O)C(C)C)n1C ZINC000657419796 412984127 /nfs/dbraw/zinc/98/41/27/412984127.db2.gz XOQUJSKIHDWTND-UHFFFAOYSA-N 2 2 252.362 0.980 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cncnc1 ZINC000289379053 197319708 /nfs/dbraw/zinc/31/97/08/197319708.db2.gz CEIWAQRYZPFTAI-UHFFFAOYSA-N 2 2 277.416 0.934 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cncnc1 ZINC000289379053 197319709 /nfs/dbraw/zinc/31/97/09/197319709.db2.gz CEIWAQRYZPFTAI-UHFFFAOYSA-N 2 2 277.416 0.934 20 0 CCADLP CN(CC[N@H+](C)Cc1cncnc1)C1CC[NH+](C)CC1 ZINC000289379053 197319711 /nfs/dbraw/zinc/31/97/11/197319711.db2.gz CEIWAQRYZPFTAI-UHFFFAOYSA-N 2 2 277.416 0.934 20 0 CCADLP CN(CC[N@@H+](C)Cc1cncnc1)C1CC[NH+](C)CC1 ZINC000289379053 197319712 /nfs/dbraw/zinc/31/97/12/197319712.db2.gz CEIWAQRYZPFTAI-UHFFFAOYSA-N 2 2 277.416 0.934 20 0 CCADLP O=C1NCC[C@@H]1[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246849248 296376532 /nfs/dbraw/zinc/37/65/32/296376532.db2.gz PAAPGSWVWLSVOJ-UBHSHLNASA-N 2 2 263.385 0.824 20 0 CCADLP O=C1NCC[C@@H]1[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246849248 296376533 /nfs/dbraw/zinc/37/65/33/296376533.db2.gz PAAPGSWVWLSVOJ-UBHSHLNASA-N 2 2 263.385 0.824 20 0 CCADLP O=C1NCC[C@@H]1[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246849248 296376534 /nfs/dbraw/zinc/37/65/34/296376534.db2.gz PAAPGSWVWLSVOJ-UBHSHLNASA-N 2 2 263.385 0.824 20 0 CCADLP O=C1NCC[C@@H]1[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246849248 296376535 /nfs/dbraw/zinc/37/65/35/296376535.db2.gz PAAPGSWVWLSVOJ-UBHSHLNASA-N 2 2 263.385 0.824 20 0 CCADLP C[C@@H](Cn1cccn1)[NH2+]Cc1nc(C(C)(C)[NH3+])no1 ZINC000574811274 335049259 /nfs/dbraw/zinc/04/92/59/335049259.db2.gz GCLKRHFSSAFXFR-VIFPVBQESA-N 2 2 264.333 0.638 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCOC[C@@H]1CC(C)C ZINC000574819446 335050135 /nfs/dbraw/zinc/05/01/35/335050135.db2.gz DKSZGVACFALXQG-LSDHHAIUSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCOC[C@@H]1CC(C)C ZINC000574819446 335050136 /nfs/dbraw/zinc/05/01/36/335050136.db2.gz DKSZGVACFALXQG-LSDHHAIUSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCOC[C@@H]1CC(C)C ZINC000574819446 335050137 /nfs/dbraw/zinc/05/01/37/335050137.db2.gz DKSZGVACFALXQG-LSDHHAIUSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCOC[C@@H]1CC(C)C ZINC000574819446 335050138 /nfs/dbraw/zinc/05/01/38/335050138.db2.gz DKSZGVACFALXQG-LSDHHAIUSA-N 2 2 288.432 0.672 20 0 CCADLP CCN1C[C@@H](C[NH2+]Cc2c[nH+]c(C)n2C)CC1=O ZINC000657502087 413011078 /nfs/dbraw/zinc/01/10/78/413011078.db2.gz HGINKSLBZOAJQG-LLVKDONJSA-N 2 2 250.346 0.687 20 0 CCADLP COc1coc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1=O ZINC000442759164 533161132 /nfs/dbraw/zinc/16/11/32/533161132.db2.gz QIBFKQOSLRGFAO-NXEZZACHSA-N 2 2 252.314 0.818 20 0 CCADLP COc1coc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1=O ZINC000442759164 533161134 /nfs/dbraw/zinc/16/11/34/533161134.db2.gz QIBFKQOSLRGFAO-NXEZZACHSA-N 2 2 252.314 0.818 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+](C)C2CC([NH3+])C2)C[C@@H](C)O1 ZINC000394974948 285219263 /nfs/dbraw/zinc/21/92/63/285219263.db2.gz BBKMYCHXYQENIV-QYNFOATHSA-N 2 2 255.362 0.044 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CC([NH3+])C2)C[C@@H](C)O1 ZINC000394974948 285219265 /nfs/dbraw/zinc/21/92/65/285219265.db2.gz BBKMYCHXYQENIV-QYNFOATHSA-N 2 2 255.362 0.044 20 0 CCADLP OC1(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)CCOCC1 ZINC000124826955 285237234 /nfs/dbraw/zinc/23/72/34/285237234.db2.gz NJTZLPUFLBVGAM-OAHLLOKOSA-N 2 2 298.427 0.572 20 0 CCADLP OC1(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)CCOCC1 ZINC000124826955 285237236 /nfs/dbraw/zinc/23/72/36/285237236.db2.gz NJTZLPUFLBVGAM-OAHLLOKOSA-N 2 2 298.427 0.572 20 0 CCADLP CO[C@@H](C[NH2+]Cc1c[nH+]c(N(C)C)n1C)[C@H]1CCOC1 ZINC000657540524 413022454 /nfs/dbraw/zinc/02/24/54/413022454.db2.gz HXFNSAMJUYCZTK-AAEUAGOBSA-N 2 2 282.388 0.627 20 0 CCADLP [NH3+][C@@H](C(=O)NCC[NH+]1CCSCC1)c1cscn1 ZINC000521869809 285291784 /nfs/dbraw/zinc/29/17/84/285291784.db2.gz SRQCUYOBPWARKU-SNVBAGLBSA-N 2 2 286.426 0.308 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(OCCO)CCOC2)C[N@@H+]1C1CC1 ZINC000657598995 413031285 /nfs/dbraw/zinc/03/12/85/413031285.db2.gz XXYHIKJQPKKMSV-NFAWXSAZSA-N 2 2 284.400 0.369 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(OCCO)CCOC2)C[N@H+]1C1CC1 ZINC000657598995 413031288 /nfs/dbraw/zinc/03/12/88/413031288.db2.gz XXYHIKJQPKKMSV-NFAWXSAZSA-N 2 2 284.400 0.369 20 0 CCADLP O[C@@H](CNc1[nH]c2ccccc2[nH+]1)C[NH+]1CCOCC1 ZINC000270585729 285307406 /nfs/dbraw/zinc/30/74/06/285307406.db2.gz RGNHXVADGHAFMC-NSHDSACASA-N 2 2 276.340 0.668 20 0 CCADLP CN(C(=O)NCc1[nH+]ccn1C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000524262418 285311489 /nfs/dbraw/zinc/31/14/89/285311489.db2.gz VYUDDRKLHYQEJF-GFCCVEGCSA-N 2 2 277.372 0.798 20 0 CCADLP CN(C(=O)NCc1[nH+]ccn1C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000524262418 285311493 /nfs/dbraw/zinc/31/14/93/285311493.db2.gz VYUDDRKLHYQEJF-GFCCVEGCSA-N 2 2 277.372 0.798 20 0 CCADLP [NH3+]C1CC[NH+](CC(=O)N2CCc3ccccc32)CC1 ZINC000036754522 388843976 /nfs/dbraw/zinc/84/39/76/388843976.db2.gz KAPZUVKKEIBYGK-UHFFFAOYSA-N 2 2 259.353 0.999 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000290591289 388907925 /nfs/dbraw/zinc/90/79/25/388907925.db2.gz BFLASTLSHUNBBY-OLZOCXBDSA-N 2 2 277.372 0.846 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000290591289 388907928 /nfs/dbraw/zinc/90/79/28/388907928.db2.gz BFLASTLSHUNBBY-OLZOCXBDSA-N 2 2 277.372 0.846 20 0 CCADLP CC[N@H+](CCNC(=O)N1CCn2c[nH+]cc2C1)C1CC1 ZINC000291380335 388921938 /nfs/dbraw/zinc/92/19/38/388921938.db2.gz VYFAQEXVZNHNDD-UHFFFAOYSA-N 2 2 277.372 0.893 20 0 CCADLP CC[N@@H+](CCNC(=O)N1CCn2c[nH+]cc2C1)C1CC1 ZINC000291380335 388921943 /nfs/dbraw/zinc/92/19/43/388921943.db2.gz VYFAQEXVZNHNDD-UHFFFAOYSA-N 2 2 277.372 0.893 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2c[nH+]cn2C)[C@H](C)C1 ZINC000292437767 388949245 /nfs/dbraw/zinc/94/92/45/388949245.db2.gz VMWIWLSALXTFJZ-VXGBXAGGSA-N 2 2 295.387 0.017 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2c[nH+]cn2C)[C@H](C)C1 ZINC000292437767 388949247 /nfs/dbraw/zinc/94/92/47/388949247.db2.gz VMWIWLSALXTFJZ-VXGBXAGGSA-N 2 2 295.387 0.017 20 0 CCADLP CO[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)CC[C@@H]1C ZINC000189366281 388956711 /nfs/dbraw/zinc/95/67/11/388956711.db2.gz VMFNRVUEADYTOP-STQMWFEESA-N 2 2 269.389 0.117 20 0 CCADLP CO[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CC[C@@H]1C ZINC000189366281 388956714 /nfs/dbraw/zinc/95/67/14/388956714.db2.gz VMFNRVUEADYTOP-STQMWFEESA-N 2 2 269.389 0.117 20 0 CCADLP CNC(=O)NC(=O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860710 388985119 /nfs/dbraw/zinc/98/51/19/388985119.db2.gz UCZCKDCOOKHULP-NSHDSACASA-N 2 2 270.377 0.248 20 0 CCADLP CNC(=O)NC(=O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860710 388985121 /nfs/dbraw/zinc/98/51/21/388985121.db2.gz UCZCKDCOOKHULP-NSHDSACASA-N 2 2 270.377 0.248 20 0 CCADLP CNC(=O)NC(=O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860710 388985124 /nfs/dbraw/zinc/98/51/24/388985124.db2.gz UCZCKDCOOKHULP-NSHDSACASA-N 2 2 270.377 0.248 20 0 CCADLP CNC(=O)NC(=O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075860710 388985128 /nfs/dbraw/zinc/98/51/28/388985128.db2.gz UCZCKDCOOKHULP-NSHDSACASA-N 2 2 270.377 0.248 20 0 CCADLP C[C@@H]1C[C@H]([NH+](C)CCN2CCOCC2)CC[N@@H+]1C ZINC000336711431 389014444 /nfs/dbraw/zinc/01/44/44/389014444.db2.gz NKACBLSNGGOGGZ-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@@H]1C[C@H]([NH+](C)CCN2CCOCC2)CC[N@H+]1C ZINC000336711431 389014447 /nfs/dbraw/zinc/01/44/47/389014447.db2.gz NKACBLSNGGOGGZ-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@@H]1C[C@H]([N@H+](C)CCN2CCOCC2)CC[NH+]1C ZINC000336711431 389014450 /nfs/dbraw/zinc/01/44/50/389014450.db2.gz NKACBLSNGGOGGZ-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@@H]1C[C@H]([N@@H+](C)CCN2CCOCC2)CC[NH+]1C ZINC000336711431 389014453 /nfs/dbraw/zinc/01/44/53/389014453.db2.gz NKACBLSNGGOGGZ-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@H]1C[N@@H+](C2CC[NH+]([C@H]3CCOC3)CC2)CCO1 ZINC000336735976 389018530 /nfs/dbraw/zinc/01/85/30/389018530.db2.gz XXJJOSPKCKBFJK-JSGCOSHPSA-N 2 2 254.374 0.960 20 0 CCADLP C[C@H]1C[N@H+](C2CC[NH+]([C@H]3CCOC3)CC2)CCO1 ZINC000336735976 389018533 /nfs/dbraw/zinc/01/85/33/389018533.db2.gz XXJJOSPKCKBFJK-JSGCOSHPSA-N 2 2 254.374 0.960 20 0 CCADLP C[C@H]1C[C@H]([NH+](C)CCN2CCNC2=O)CC[N@@H+]1C ZINC000336791627 389019117 /nfs/dbraw/zinc/01/91/17/389019117.db2.gz OGAARXXGPYQQHB-NWDGAFQWSA-N 2 2 254.378 0.426 20 0 CCADLP C[C@H]1C[C@H]([NH+](C)CCN2CCNC2=O)CC[N@H+]1C ZINC000336791627 389019119 /nfs/dbraw/zinc/01/91/19/389019119.db2.gz OGAARXXGPYQQHB-NWDGAFQWSA-N 2 2 254.378 0.426 20 0 CCADLP C[C@H]1C[C@H]([N@H+](C)CCN2CCNC2=O)CC[NH+]1C ZINC000336791627 389019124 /nfs/dbraw/zinc/01/91/24/389019124.db2.gz OGAARXXGPYQQHB-NWDGAFQWSA-N 2 2 254.378 0.426 20 0 CCADLP C[C@H]1C[C@H]([N@@H+](C)CCN2CCNC2=O)CC[NH+]1C ZINC000336791627 389019127 /nfs/dbraw/zinc/01/91/27/389019127.db2.gz OGAARXXGPYQQHB-NWDGAFQWSA-N 2 2 254.378 0.426 20 0 CCADLP CN(CC[C@H]1CCC[N@@H+]1C)C[C@H](O)C[NH+]1CCOCC1 ZINC000336822903 389024717 /nfs/dbraw/zinc/02/47/17/389024717.db2.gz NKCIREHFSBYEPM-CABCVRRESA-N 2 2 285.432 0.096 20 0 CCADLP CN(CC[C@H]1CCC[N@H+]1C)C[C@H](O)C[NH+]1CCOCC1 ZINC000336822903 389024719 /nfs/dbraw/zinc/02/47/19/389024719.db2.gz NKCIREHFSBYEPM-CABCVRRESA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000192104950 389025362 /nfs/dbraw/zinc/02/53/62/389025362.db2.gz ZEEKJLMGXFHKFR-QWRGUYRKSA-N 2 2 257.378 0.197 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000192104950 389025366 /nfs/dbraw/zinc/02/53/66/389025366.db2.gz ZEEKJLMGXFHKFR-QWRGUYRKSA-N 2 2 257.378 0.197 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@](O)(C(F)(F)F)C1)C1CC1 ZINC000336830101 389026178 /nfs/dbraw/zinc/02/61/78/389026178.db2.gz BLGZIINFVFAJBQ-NWDGAFQWSA-N 2 2 296.333 0.831 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@](O)(C(F)(F)F)C1)C1CC1 ZINC000336830101 389026180 /nfs/dbraw/zinc/02/61/80/389026180.db2.gz BLGZIINFVFAJBQ-NWDGAFQWSA-N 2 2 296.333 0.831 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@](O)(C(F)(F)F)C1)C1CC1 ZINC000336830101 389026181 /nfs/dbraw/zinc/02/61/81/389026181.db2.gz BLGZIINFVFAJBQ-NWDGAFQWSA-N 2 2 296.333 0.831 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@](O)(C(F)(F)F)C1)C1CC1 ZINC000336830101 389026184 /nfs/dbraw/zinc/02/61/84/389026184.db2.gz BLGZIINFVFAJBQ-NWDGAFQWSA-N 2 2 296.333 0.831 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000355308352 389057724 /nfs/dbraw/zinc/05/77/24/389057724.db2.gz ASCWSGIYQNLRNS-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000355308352 389057726 /nfs/dbraw/zinc/05/77/26/389057726.db2.gz ASCWSGIYQNLRNS-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H]1CN(c2cc(N3CCCC3)[nH+]cn2)CC[N@@H+]1CCO ZINC000302814771 389079690 /nfs/dbraw/zinc/07/96/90/389079690.db2.gz BKOGDFHUGRMPPR-ZDUSSCGKSA-N 2 2 291.399 0.580 20 0 CCADLP C[C@H]1CN(c2cc(N3CCCC3)[nH+]cn2)CC[N@H+]1CCO ZINC000302814771 389079691 /nfs/dbraw/zinc/07/96/91/389079691.db2.gz BKOGDFHUGRMPPR-ZDUSSCGKSA-N 2 2 291.399 0.580 20 0 CCADLP O=C(NCC[NH+]1CCOCC1)C1CC[NH+](C2CC2)CC1 ZINC000193888819 389082619 /nfs/dbraw/zinc/08/26/19/389082619.db2.gz KIYXSZGFVOLKCS-UHFFFAOYSA-N 2 2 281.400 0.309 20 0 CCADLP CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000093175629 389035722 /nfs/dbraw/zinc/03/57/22/389035722.db2.gz XHHCPWVZNUUZFS-ZIAGYGMSSA-N 2 2 297.443 0.896 20 0 CCADLP CCO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000093175629 389035727 /nfs/dbraw/zinc/03/57/27/389035727.db2.gz XHHCPWVZNUUZFS-ZIAGYGMSSA-N 2 2 297.443 0.896 20 0 CCADLP C[N@H+]1C[C@H]2CN(C(=O)Cc3cn4ccccc4[nH+]3)C[C@H]2C1 ZINC000192463801 389038498 /nfs/dbraw/zinc/03/84/98/389038498.db2.gz ADHDWFWZZQKLSS-BETUJISGSA-N 2 2 284.363 0.897 20 0 CCADLP C[N@@H+]1C[C@H]2CN(C(=O)Cc3cn4ccccc4[nH+]3)C[C@H]2C1 ZINC000192463801 389038500 /nfs/dbraw/zinc/03/85/00/389038500.db2.gz ADHDWFWZZQKLSS-BETUJISGSA-N 2 2 284.363 0.897 20 0 CCADLP C[C@@H](O)CNc1cc(N2CC[C@H]([NH+]3CC=CC3)C2)nc[nH+]1 ZINC000298809998 389040291 /nfs/dbraw/zinc/04/02/91/389040291.db2.gz FVUDDHVYSAYCLS-OLZOCXBDSA-N 2 2 289.383 0.720 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]CCC2CCOCC2)CC1 ZINC000311537064 389103747 /nfs/dbraw/zinc/10/37/47/389103747.db2.gz XHQTUPYOSZSJPR-UHFFFAOYSA-N 2 2 269.389 0.167 20 0 CCADLP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000312346122 389107999 /nfs/dbraw/zinc/10/79/99/389107999.db2.gz LVWNWFSTMSHPTI-GJZGRUSLSA-N 2 2 279.432 0.743 20 0 CCADLP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000312346122 389108002 /nfs/dbraw/zinc/10/80/02/389108002.db2.gz LVWNWFSTMSHPTI-GJZGRUSLSA-N 2 2 279.432 0.743 20 0 CCADLP COCCC(=O)N1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000355669563 389109463 /nfs/dbraw/zinc/10/94/63/389109463.db2.gz JAAAGNOCSAWZNC-UHFFFAOYSA-N 2 2 280.372 0.372 20 0 CCADLP C[C@@H](NC(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000313342519 389113487 /nfs/dbraw/zinc/11/34/87/389113487.db2.gz GEOPBAAKYQLIJA-HIFRSBDPSA-N 2 2 291.395 0.913 20 0 CCADLP C[C@@H](NC(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000313342519 389113489 /nfs/dbraw/zinc/11/34/89/389113489.db2.gz GEOPBAAKYQLIJA-HIFRSBDPSA-N 2 2 291.395 0.913 20 0 CCADLP O[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000323405945 389125717 /nfs/dbraw/zinc/12/57/17/389125717.db2.gz LREYSGGANXLSMN-UONOGXRCSA-N 2 2 259.309 0.722 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000357739614 389137116 /nfs/dbraw/zinc/13/71/16/389137116.db2.gz IMKWBIXMSNHXDW-NSHDSACASA-N 2 2 279.388 0.906 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000357739614 389137118 /nfs/dbraw/zinc/13/71/18/389137118.db2.gz IMKWBIXMSNHXDW-NSHDSACASA-N 2 2 279.388 0.906 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000357739614 389137122 /nfs/dbraw/zinc/13/71/22/389137122.db2.gz IMKWBIXMSNHXDW-NSHDSACASA-N 2 2 279.388 0.906 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000357739614 389137124 /nfs/dbraw/zinc/13/71/24/389137124.db2.gz IMKWBIXMSNHXDW-NSHDSACASA-N 2 2 279.388 0.906 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843225 389137123 /nfs/dbraw/zinc/13/71/23/389137123.db2.gz VZXHTMWMNMYPKS-VXGBXAGGSA-N 2 2 284.404 0.494 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843225 389137128 /nfs/dbraw/zinc/13/71/28/389137128.db2.gz VZXHTMWMNMYPKS-VXGBXAGGSA-N 2 2 284.404 0.494 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843225 389137131 /nfs/dbraw/zinc/13/71/31/389137131.db2.gz VZXHTMWMNMYPKS-VXGBXAGGSA-N 2 2 284.404 0.494 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843225 389137134 /nfs/dbraw/zinc/13/71/34/389137134.db2.gz VZXHTMWMNMYPKS-VXGBXAGGSA-N 2 2 284.404 0.494 20 0 CCADLP CCC[N@H+](CC)CCNC[C@@H](O)C[NH+]1CCOCC1 ZINC000219402112 389137451 /nfs/dbraw/zinc/13/74/51/389137451.db2.gz ZNQGSNYQRWTBJQ-CQSZACIVSA-N 2 2 273.421 0.001 20 0 CCADLP CCC[N@@H+](CC)CCNC[C@@H](O)C[NH+]1CCOCC1 ZINC000219402112 389137458 /nfs/dbraw/zinc/13/74/58/389137458.db2.gz ZNQGSNYQRWTBJQ-CQSZACIVSA-N 2 2 273.421 0.001 20 0 CCADLP CC(C)C[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000360184949 389193336 /nfs/dbraw/zinc/19/33/36/389193336.db2.gz VSJFZSHMASXWNB-CYBMUJFWSA-N 2 2 269.389 0.117 20 0 CCADLP CC(C)C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000360184949 389193337 /nfs/dbraw/zinc/19/33/37/389193337.db2.gz VSJFZSHMASXWNB-CYBMUJFWSA-N 2 2 269.389 0.117 20 0 CCADLP C[C@@H](C(=O)NCC[NH+]1CCOCC1)[C@H]([NH3+])c1ccccc1 ZINC000130077998 389197717 /nfs/dbraw/zinc/19/77/17/389197717.db2.gz APUJHOYUNNOJAN-HIFRSBDPSA-N 2 2 291.395 0.771 20 0 CCADLP CC(C)[C@@H](C(=O)N1CC[NH+](C2CC2)CC1)[NH+](C)C ZINC000126585662 389170797 /nfs/dbraw/zinc/17/07/97/389170797.db2.gz HOTXFIPBBRSBLA-ZDUSSCGKSA-N 2 2 253.390 0.879 20 0 CCADLP C[C@@H](CCS(C)(=O)=O)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000127136135 389172492 /nfs/dbraw/zinc/17/24/92/389172492.db2.gz LOCMLJVAUQHJBN-QJPTWQEYSA-N 2 2 262.419 0.882 20 0 CCADLP C[C@@H](CCS(C)(=O)=O)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000127136135 389172496 /nfs/dbraw/zinc/17/24/96/389172496.db2.gz LOCMLJVAUQHJBN-QJPTWQEYSA-N 2 2 262.419 0.882 20 0 CCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000359473949 389174443 /nfs/dbraw/zinc/17/44/43/389174443.db2.gz FWBRLPIIQKIOLF-ZDUSSCGKSA-N 2 2 278.356 0.335 20 0 CCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000359473949 389174446 /nfs/dbraw/zinc/17/44/46/389174446.db2.gz FWBRLPIIQKIOLF-ZDUSSCGKSA-N 2 2 278.356 0.335 20 0 CCADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134943309 389250939 /nfs/dbraw/zinc/25/09/39/389250939.db2.gz FHDZULIPSPKGFT-YPMHNXCESA-N 2 2 294.399 0.391 20 0 CCADLP CNC(=O)NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134943309 389250940 /nfs/dbraw/zinc/25/09/40/389250940.db2.gz FHDZULIPSPKGFT-YPMHNXCESA-N 2 2 294.399 0.391 20 0 CCADLP CNC(=O)NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134943309 389250941 /nfs/dbraw/zinc/25/09/41/389250941.db2.gz FHDZULIPSPKGFT-YPMHNXCESA-N 2 2 294.399 0.391 20 0 CCADLP CNC(=O)NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134943309 389250942 /nfs/dbraw/zinc/25/09/42/389250942.db2.gz FHDZULIPSPKGFT-YPMHNXCESA-N 2 2 294.399 0.391 20 0 CCADLP C[C@H]1COCCN1CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000249070271 389252959 /nfs/dbraw/zinc/25/29/59/389252959.db2.gz QZGFIXLDVQXMEQ-JKSUJKDBSA-N 2 2 297.443 0.361 20 0 CCADLP C[C@H]1COCCN1CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000249070271 389252964 /nfs/dbraw/zinc/25/29/64/389252964.db2.gz QZGFIXLDVQXMEQ-JKSUJKDBSA-N 2 2 297.443 0.361 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)C1 ZINC000342826864 389253803 /nfs/dbraw/zinc/25/38/03/389253803.db2.gz ORUIPEYAVDGNPK-XTWPYSKKSA-N 2 2 265.401 0.973 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)C1 ZINC000342826864 389253806 /nfs/dbraw/zinc/25/38/06/389253806.db2.gz ORUIPEYAVDGNPK-XTWPYSKKSA-N 2 2 265.401 0.973 20 0 CCADLP C[N@@H+]1CCCN(C(=O)NCC[NH+]2CCOCC2(C)C)CC1 ZINC000343169893 389260333 /nfs/dbraw/zinc/26/03/33/389260333.db2.gz YOKNWXIZHVCIIP-UHFFFAOYSA-N 2 2 298.431 0.444 20 0 CCADLP C[N@H+]1CCCN(C(=O)NCC[NH+]2CCOCC2(C)C)CC1 ZINC000343169893 389260336 /nfs/dbraw/zinc/26/03/36/389260336.db2.gz YOKNWXIZHVCIIP-UHFFFAOYSA-N 2 2 298.431 0.444 20 0 CCADLP C[NH+]1CCCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000343169893 389260338 /nfs/dbraw/zinc/26/03/38/389260338.db2.gz YOKNWXIZHVCIIP-UHFFFAOYSA-N 2 2 298.431 0.444 20 0 CCADLP C[NH+]1CCCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000343169893 389260340 /nfs/dbraw/zinc/26/03/40/389260340.db2.gz YOKNWXIZHVCIIP-UHFFFAOYSA-N 2 2 298.431 0.444 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)N(C)C2=O)CC[N@@H+]1C ZINC000251750677 389263440 /nfs/dbraw/zinc/26/34/40/389263440.db2.gz DEALJEBZYJHVHX-MXWKQRLJSA-N 2 2 253.346 0.206 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)N(C)C2=O)CC[N@H+]1C ZINC000251750677 389263443 /nfs/dbraw/zinc/26/34/43/389263443.db2.gz DEALJEBZYJHVHX-MXWKQRLJSA-N 2 2 253.346 0.206 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCC[NH+]1CCC[C@@H]1C(N)=O ZINC000361208651 389210206 /nfs/dbraw/zinc/21/02/06/389210206.db2.gz NMZIIPCTMBBIFK-HZSPNIEDSA-N 3 2 282.432 0.256 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC[NH+]1CCC[C@@H]1C(N)=O ZINC000361208651 389210209 /nfs/dbraw/zinc/21/02/09/389210209.db2.gz NMZIIPCTMBBIFK-HZSPNIEDSA-N 3 2 282.432 0.256 20 0 CCADLP C[C@@H]1C[NH+](C)CC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000361208651 389210212 /nfs/dbraw/zinc/21/02/12/389210212.db2.gz NMZIIPCTMBBIFK-HZSPNIEDSA-N 3 2 282.432 0.256 20 0 CCADLP C[C@@H]1C[NH+](C)CC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000361208651 389210216 /nfs/dbraw/zinc/21/02/16/389210216.db2.gz NMZIIPCTMBBIFK-HZSPNIEDSA-N 3 2 282.432 0.256 20 0 CCADLP CC[C@@H](COC)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000361220589 389210628 /nfs/dbraw/zinc/21/06/28/389210628.db2.gz MYNWZCJJEPGRFX-RYUDHWBXSA-N 2 2 257.378 0.341 20 0 CCADLP CC[C@@H](COC)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000361220589 389210629 /nfs/dbraw/zinc/21/06/29/389210629.db2.gz MYNWZCJJEPGRFX-RYUDHWBXSA-N 2 2 257.378 0.341 20 0 CCADLP CN(C)C(=O)N1CCC([NH2+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330270101 389219649 /nfs/dbraw/zinc/21/96/49/389219649.db2.gz SWKDORGOFBOAJH-ZDUSSCGKSA-N 2 2 291.399 0.934 20 0 CCADLP C[C@@H]1CCC[N@H+](CC[NH2+]C2CCN(C(N)=O)CC2)C1 ZINC000343479540 389266357 /nfs/dbraw/zinc/26/63/57/389266357.db2.gz AWTOOTFNBLYHKK-GFCCVEGCSA-N 2 2 268.405 0.851 20 0 CCADLP C[C@@H]1CCC[N@@H+](CC[NH2+]C2CCN(C(N)=O)CC2)C1 ZINC000343479540 389266361 /nfs/dbraw/zinc/26/63/61/389266361.db2.gz AWTOOTFNBLYHKK-GFCCVEGCSA-N 2 2 268.405 0.851 20 0 CCADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NC3CC3)CC[C@H]21 ZINC000247126424 389237286 /nfs/dbraw/zinc/23/72/86/389237286.db2.gz APWUVOGELQOPPD-DGCLKSJQSA-N 2 2 251.374 0.681 20 0 CCADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NC3CC3)CC[C@H]21 ZINC000247126424 389237289 /nfs/dbraw/zinc/23/72/89/389237289.db2.gz APWUVOGELQOPPD-DGCLKSJQSA-N 2 2 251.374 0.681 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NC3CC3)CC[C@H]21 ZINC000247126424 389237290 /nfs/dbraw/zinc/23/72/90/389237290.db2.gz APWUVOGELQOPPD-DGCLKSJQSA-N 2 2 251.374 0.681 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NC3CC3)CC[C@H]21 ZINC000247126424 389237292 /nfs/dbraw/zinc/23/72/92/389237292.db2.gz APWUVOGELQOPPD-DGCLKSJQSA-N 2 2 251.374 0.681 20 0 CCADLP COCCC[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000367029024 389313917 /nfs/dbraw/zinc/31/39/17/389313917.db2.gz LABFKMIFUGGEEF-GJZGRUSLSA-N 2 2 269.433 0.981 20 0 CCADLP COCCC[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000367029024 389313920 /nfs/dbraw/zinc/31/39/20/389313920.db2.gz LABFKMIFUGGEEF-GJZGRUSLSA-N 2 2 269.433 0.981 20 0 CCADLP CC[N@@H+]1CCCN(CC[NH+]2CCO[C@H](C)C2)CC1 ZINC000367067358 389317405 /nfs/dbraw/zinc/31/74/05/389317405.db2.gz QXIYQDJVVHJWGT-CQSZACIVSA-N 2 2 255.406 0.735 20 0 CCADLP CC[N@H+]1CCCN(CC[NH+]2CCO[C@H](C)C2)CC1 ZINC000367067358 389317408 /nfs/dbraw/zinc/31/74/08/389317408.db2.gz QXIYQDJVVHJWGT-CQSZACIVSA-N 2 2 255.406 0.735 20 0 CCADLP CC[NH+]1CCCN(CC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000367067358 389317411 /nfs/dbraw/zinc/31/74/11/389317411.db2.gz QXIYQDJVVHJWGT-CQSZACIVSA-N 2 2 255.406 0.735 20 0 CCADLP CC[NH+]1CCCN(CC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000367067358 389317414 /nfs/dbraw/zinc/31/74/14/389317414.db2.gz QXIYQDJVVHJWGT-CQSZACIVSA-N 2 2 255.406 0.735 20 0 CCADLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(C(N)=O)cc2)CC1 ZINC000264377813 389324858 /nfs/dbraw/zinc/32/48/58/389324858.db2.gz OQBBDTHZLFJLRV-UHFFFAOYSA-N 2 2 291.395 0.674 20 0 CCADLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(C(N)=O)cc2)CC1 ZINC000264377813 389324860 /nfs/dbraw/zinc/32/48/60/389324860.db2.gz OQBBDTHZLFJLRV-UHFFFAOYSA-N 2 2 291.395 0.674 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccco1 ZINC000264599316 389337845 /nfs/dbraw/zinc/33/78/45/389337845.db2.gz NFALLSQRCUNGPX-LBPRGKRZSA-N 2 2 251.330 0.709 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccco1 ZINC000264599316 389337846 /nfs/dbraw/zinc/33/78/46/389337846.db2.gz NFALLSQRCUNGPX-LBPRGKRZSA-N 2 2 251.330 0.709 20 0 CCADLP CN(C(=O)[C@@H]1CCCO1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365223705 389277858 /nfs/dbraw/zinc/27/78/58/389277858.db2.gz KLLOSHPMLDVYAY-CABCVRRESA-N 2 2 295.427 0.792 20 0 CCADLP CN(C(=O)[C@@H]1CCCO1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365223705 389277861 /nfs/dbraw/zinc/27/78/61/389277861.db2.gz KLLOSHPMLDVYAY-CABCVRRESA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)N1CC[C@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)C1=O ZINC000331127043 389299545 /nfs/dbraw/zinc/29/95/45/389299545.db2.gz NWELATRSIPHEPB-LBPRGKRZSA-N 2 2 279.388 0.585 20 0 CCADLP CC[C@H](C(=O)NCC[N@@H+]1CCOC[C@H]1C)[NH+](CC)CC ZINC000345407132 389305149 /nfs/dbraw/zinc/30/51/49/389305149.db2.gz DJFSWMREENQWPZ-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP CC[C@H](C(=O)NCC[N@H+]1CCOC[C@H]1C)[NH+](CC)CC ZINC000345407132 389305150 /nfs/dbraw/zinc/30/51/50/389305150.db2.gz DJFSWMREENQWPZ-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP C[C@H](CC(N)=O)[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000267269910 389368889 /nfs/dbraw/zinc/36/88/89/389368889.db2.gz SBGGEZNPFYCJTA-DOMZBBRYSA-N 2 2 291.395 0.259 20 0 CCADLP C[C@H](CC(N)=O)[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000267269910 389368892 /nfs/dbraw/zinc/36/88/92/389368892.db2.gz SBGGEZNPFYCJTA-DOMZBBRYSA-N 2 2 291.395 0.259 20 0 CCADLP Cc1cc(CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)cc(C)[nH+]1 ZINC000421926934 389383853 /nfs/dbraw/zinc/38/38/53/389383853.db2.gz YVRHJMCGESSOIV-HNNXBMFYSA-N 2 2 288.395 0.705 20 0 CCADLP Cc1cc(CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)cc(C)[nH+]1 ZINC000421926934 389383857 /nfs/dbraw/zinc/38/38/57/389383857.db2.gz YVRHJMCGESSOIV-HNNXBMFYSA-N 2 2 288.395 0.705 20 0 CCADLP C[C@H]1C[C@H](NC(=O)N2CCn3c[nH+]cc3C2)CC[N@@H+]1C ZINC000332901346 389389249 /nfs/dbraw/zinc/38/92/49/389389249.db2.gz OWYBRQSENSNXNW-NWDGAFQWSA-N 2 2 277.372 0.891 20 0 CCADLP C[C@H]1C[C@H](NC(=O)N2CCn3c[nH+]cc3C2)CC[N@H+]1C ZINC000332901346 389389253 /nfs/dbraw/zinc/38/92/53/389389253.db2.gz OWYBRQSENSNXNW-NWDGAFQWSA-N 2 2 277.372 0.891 20 0 CCADLP CCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369255033 389392691 /nfs/dbraw/zinc/39/26/91/389392691.db2.gz LPGHPVAVXDSENF-NSHDSACASA-N 2 2 254.378 0.474 20 0 CCADLP CCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369255033 389392694 /nfs/dbraw/zinc/39/26/94/389392694.db2.gz LPGHPVAVXDSENF-NSHDSACASA-N 2 2 254.378 0.474 20 0 CCADLP CNC(=O)C[C@@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000269022850 389398676 /nfs/dbraw/zinc/39/86/76/389398676.db2.gz BYRRJSHTIXICRM-LLVKDONJSA-N 2 2 250.346 0.998 20 0 CCADLP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000349310843 389411561 /nfs/dbraw/zinc/41/15/61/389411561.db2.gz HQEIIJNXEVSZAG-RBSFLKMASA-N 3 2 268.449 0.552 20 0 CCADLP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000349310843 389411566 /nfs/dbraw/zinc/41/15/66/389411566.db2.gz HQEIIJNXEVSZAG-RBSFLKMASA-N 3 2 268.449 0.552 20 0 CCADLP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000347778053 389358282 /nfs/dbraw/zinc/35/82/82/389358282.db2.gz NHLAAWLLLKZCHQ-MJBXVCDLSA-N 3 2 257.422 0.883 20 0 CCADLP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000347778053 389358283 /nfs/dbraw/zinc/35/82/83/389358283.db2.gz NHLAAWLLLKZCHQ-MJBXVCDLSA-N 3 2 257.422 0.883 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H]1CC[C@H](C(N)=O)CC1 ZINC000421364174 389360104 /nfs/dbraw/zinc/36/01/04/389360104.db2.gz RKWXRGGZGIMVGR-FDYHWXHSSA-N 2 2 253.390 0.818 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H]1CC[C@H](C(N)=O)CC1 ZINC000421364174 389360108 /nfs/dbraw/zinc/36/01/08/389360108.db2.gz RKWXRGGZGIMVGR-FDYHWXHSSA-N 2 2 253.390 0.818 20 0 CCADLP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422861852 389493518 /nfs/dbraw/zinc/49/35/18/389493518.db2.gz NARFQPDFFFPVRA-RBSFLKMASA-N 3 2 268.449 0.600 20 0 CCADLP C[NH2+]CCCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000422737550 389462426 /nfs/dbraw/zinc/46/24/26/389462426.db2.gz ZTVWIOURVFWIIV-ZDUSSCGKSA-N 2 2 269.389 0.213 20 0 CCADLP C[NH2+]CCCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000422737550 389462428 /nfs/dbraw/zinc/46/24/28/389462428.db2.gz ZTVWIOURVFWIIV-ZDUSSCGKSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@H]1CCC[NH2+]1 ZINC000422743586 389465221 /nfs/dbraw/zinc/46/52/21/389465221.db2.gz RTZRWQAKHOQBNN-HZSPNIEDSA-N 3 2 282.432 0.304 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@H]1CCC[NH2+]1 ZINC000422743586 389465224 /nfs/dbraw/zinc/46/52/24/389465224.db2.gz RTZRWQAKHOQBNN-HZSPNIEDSA-N 3 2 282.432 0.304 20 0 CCADLP [NH3+][C@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000422754252 389467785 /nfs/dbraw/zinc/46/77/85/389467785.db2.gz AIVSJIPWLVPASE-STQMWFEESA-N 2 2 267.373 0.047 20 0 CCADLP [NH3+][C@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000422754252 389467788 /nfs/dbraw/zinc/46/77/88/389467788.db2.gz AIVSJIPWLVPASE-STQMWFEESA-N 2 2 267.373 0.047 20 0 CCADLP O=C(NC[C@@H]1CCC[NH2+]C1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000422768554 389471280 /nfs/dbraw/zinc/47/12/80/389471280.db2.gz USEHGOUOIBGWHG-CABCVRRESA-N 2 2 295.427 0.603 20 0 CCADLP O=C(NC[C@@H]1CCC[NH2+]C1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000422768554 389471284 /nfs/dbraw/zinc/47/12/84/389471284.db2.gz USEHGOUOIBGWHG-CABCVRRESA-N 2 2 295.427 0.603 20 0 CCADLP C(C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)COC[C@@H]1CCCO1 ZINC000422777214 389472166 /nfs/dbraw/zinc/47/21/66/389472166.db2.gz BRYOKAVQRUZTFG-ARFHVFGLSA-N 2 2 298.427 0.929 20 0 CCADLP CC(C)(C)NC(=O)C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422815778 389480692 /nfs/dbraw/zinc/48/06/92/389480692.db2.gz YJGVSSXMQZPMBR-YPMHNXCESA-N 2 2 269.389 0.258 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000422823217 389482974 /nfs/dbraw/zinc/48/29/74/389482974.db2.gz CUDVXRLEDUSFOH-GXTWGEPZSA-N 2 2 283.416 0.459 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000422823217 389482979 /nfs/dbraw/zinc/48/29/79/389482979.db2.gz CUDVXRLEDUSFOH-GXTWGEPZSA-N 2 2 283.416 0.459 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC([NH2+]C)CC1 ZINC000422826318 389484285 /nfs/dbraw/zinc/48/42/85/389484285.db2.gz QQDRDDFUFIPDLW-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CCC([NH2+]C)CC1 ZINC000422826318 389484288 /nfs/dbraw/zinc/48/42/88/389484288.db2.gz QQDRDDFUFIPDLW-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000422827706 389484905 /nfs/dbraw/zinc/48/49/05/389484905.db2.gz FESRBQWTTOYPFO-TZMCWYRMSA-N 2 2 292.383 0.767 20 0 CCADLP CC(C)N1CCC[C@@H]([N@@H+]2CCCO[C@@H](C[NH3+])C2)C1=O ZINC000333635306 389437643 /nfs/dbraw/zinc/43/76/43/389437643.db2.gz BJHWWOXLVJLMTQ-QWHCGFSZSA-N 2 2 269.389 0.435 20 0 CCADLP CC(C)N1CCC[C@@H]([N@H+]2CCCO[C@@H](C[NH3+])C2)C1=O ZINC000333635306 389437646 /nfs/dbraw/zinc/43/76/46/389437646.db2.gz BJHWWOXLVJLMTQ-QWHCGFSZSA-N 2 2 269.389 0.435 20 0 CCADLP Cc1cc(CNC(=O)NCCN2CC[NH2+]CC2)cc(C)[nH+]1 ZINC000422607594 389446118 /nfs/dbraw/zinc/44/61/18/389446118.db2.gz LEDOPZTUHDMZHZ-UHFFFAOYSA-N 2 2 291.399 0.403 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCO[C@H](C3CCC3)C2)CC1 ZINC000411881494 389454698 /nfs/dbraw/zinc/45/46/98/389454698.db2.gz XKZDEYURKPIMSZ-AWEZNQCLSA-N 2 2 281.400 0.261 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCO[C@H](C3CCC3)C2)CC1 ZINC000411881494 389454700 /nfs/dbraw/zinc/45/47/00/389454700.db2.gz XKZDEYURKPIMSZ-AWEZNQCLSA-N 2 2 281.400 0.261 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422977356 389515058 /nfs/dbraw/zinc/51/50/58/389515058.db2.gz JUOAUKFYTLYITN-CBBWQLFWSA-N 3 2 269.433 0.809 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000276618004 389518986 /nfs/dbraw/zinc/51/89/86/389518986.db2.gz QKTQIPVQVNFHEQ-UHFFFAOYSA-N 2 2 264.373 0.905 20 0 CCADLP C[C@H](CO)CCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423018360 389522779 /nfs/dbraw/zinc/52/27/79/389522779.db2.gz YRFYDLMPCWVUHU-IACUBPJLSA-N 2 2 256.390 0.752 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCC1([NH+](C)C)CCC1 ZINC000423057356 389527715 /nfs/dbraw/zinc/52/77/15/389527715.db2.gz HESIEWQDQTWZSW-NWDGAFQWSA-N 2 2 269.389 0.354 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1NCC[N@@H+]1CCCC(C)(C)C1 ZINC000423068909 389528930 /nfs/dbraw/zinc/52/89/30/389528930.db2.gz AEXAWKDZZUNMTA-KBPBESRZSA-N 2 2 297.443 0.992 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1NCC[N@H+]1CCCC(C)(C)C1 ZINC000423068909 389528933 /nfs/dbraw/zinc/52/89/33/389528933.db2.gz AEXAWKDZZUNMTA-KBPBESRZSA-N 2 2 297.443 0.992 20 0 CCADLP FC(F)COCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423066219 389529245 /nfs/dbraw/zinc/52/92/45/389529245.db2.gz DAGHMJJNKNTBAI-JQWIXIFHSA-N 2 2 264.316 0.625 20 0 CCADLP C[C@H]([NH2+][C@@H]1CC(=O)N2CCCC[C@@H]12)[C@H]1CCC[NH2+]1 ZINC000423106471 389535440 /nfs/dbraw/zinc/53/54/40/389535440.db2.gz CYJMYADBYRPHCT-LOWDOPEQSA-N 2 2 251.374 0.870 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1(S(C)(=O)=O)CCCC1 ZINC000423110201 389536528 /nfs/dbraw/zinc/53/65/28/389536528.db2.gz OUTUJOCDUAWVIU-VXGBXAGGSA-N 2 2 274.430 0.931 20 0 CCADLP CSCC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C(=O)N(C)C ZINC000423133749 389541011 /nfs/dbraw/zinc/54/10/11/389541011.db2.gz WGBWQEUYUORGHF-SRVKXCTJSA-N 2 2 273.446 0.926 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000335256635 389544467 /nfs/dbraw/zinc/54/44/67/389544467.db2.gz JARRKHCAJULNQH-LBPRGKRZSA-N 2 2 278.356 0.469 20 0 CCADLP CC[C@H]([NH2+][C@H](C)C[C@H]1COCC[NH2+]1)[C@@H](O)C(F)F ZINC000423153466 389545575 /nfs/dbraw/zinc/54/55/75/389545575.db2.gz GPUITYLZVHUVAF-VPOLOUISSA-N 2 2 266.332 0.748 20 0 CCADLP C[NH+](C)C/C=C/C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000374242714 389562449 /nfs/dbraw/zinc/56/24/49/389562449.db2.gz AGFFEILPNARSBL-FNORWQNLSA-N 2 2 276.384 0.996 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000279305150 389567364 /nfs/dbraw/zinc/56/73/64/389567364.db2.gz ADOYBZGYZGXZGE-ZYHUDNBSSA-N 2 2 280.372 0.486 20 0 CCADLP CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CCC[N@@H+](C)C1 ZINC000373582274 389498141 /nfs/dbraw/zinc/49/81/41/389498141.db2.gz MHDMXGYCRGMEES-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC(C)(C)[NH3+] ZINC000422885301 389500174 /nfs/dbraw/zinc/50/01/74/389500174.db2.gz UCUUSLOHTAVBFD-NSHDSACASA-N 2 2 257.378 0.341 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC(C)(C)[NH3+] ZINC000422885301 389500176 /nfs/dbraw/zinc/50/01/76/389500176.db2.gz UCUUSLOHTAVBFD-NSHDSACASA-N 2 2 257.378 0.341 20 0 CCADLP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000423877964 389613913 /nfs/dbraw/zinc/61/39/13/389613913.db2.gz UBJRGVWOTHPLQL-LSDHHAIUSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000423877964 389613915 /nfs/dbraw/zinc/61/39/15/389613915.db2.gz UBJRGVWOTHPLQL-LSDHHAIUSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+](C)Cc1nc(C2(NC(=O)[C@@H]3C[C@@H]3[NH3+])CCCC2)no1 ZINC000424158665 389620014 /nfs/dbraw/zinc/62/00/14/389620014.db2.gz RQTDLNSVWBLQQJ-ZJUUUORDSA-N 2 2 293.371 0.364 20 0 CCADLP Cc1nc(C)c(C[NH2+]C[C@H]2C[NH2+]CCN2C)s1 ZINC000414961074 389647442 /nfs/dbraw/zinc/64/74/42/389647442.db2.gz IETJTCRFBPBOIZ-LLVKDONJSA-N 2 2 254.403 0.753 20 0 CCADLP C[C@@H](c1cnn(C)c1)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351582872 389622651 /nfs/dbraw/zinc/62/26/51/389622651.db2.gz SBADDVZMMNQXOK-SMDDNHRTSA-N 2 2 266.389 0.868 20 0 CCADLP C[C@@H](c1cnn(C)c1)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351582872 389622655 /nfs/dbraw/zinc/62/26/55/389622655.db2.gz SBADDVZMMNQXOK-SMDDNHRTSA-N 2 2 266.389 0.868 20 0 CCADLP C[C@@H](c1cnn(C)c1)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351582872 389622657 /nfs/dbraw/zinc/62/26/57/389622657.db2.gz SBADDVZMMNQXOK-SMDDNHRTSA-N 2 2 266.389 0.868 20 0 CCADLP C[C@@H](c1cnn(C)c1)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351582872 389622660 /nfs/dbraw/zinc/62/26/60/389622660.db2.gz SBADDVZMMNQXOK-SMDDNHRTSA-N 2 2 266.389 0.868 20 0 CCADLP Cc1[nH]ncc1C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414963414 389647759 /nfs/dbraw/zinc/64/77/59/389647759.db2.gz BAQYTMPZPDIWGT-LLVKDONJSA-N 2 2 291.321 0.644 20 0 CCADLP CNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000336145475 389626483 /nfs/dbraw/zinc/62/64/83/389626483.db2.gz NLADLMYIYDDQAY-LLVKDONJSA-N 2 2 254.378 0.426 20 0 CCADLP CNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000336145475 389626489 /nfs/dbraw/zinc/62/64/89/389626489.db2.gz NLADLMYIYDDQAY-LLVKDONJSA-N 2 2 254.378 0.426 20 0 CCADLP CC(C)C[C@H]([NH3+])C[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000414683451 389626899 /nfs/dbraw/zinc/62/68/99/389626899.db2.gz TWBQUEPCQYWZQK-HNNXBMFYSA-N 2 2 297.443 0.931 20 0 CCADLP C[C@H]1C[C@@H](C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)CC[NH2+]1 ZINC000414707177 389629931 /nfs/dbraw/zinc/62/99/31/389629931.db2.gz YLPQRXMCOLKGBN-KBPBESRZSA-N 3 2 277.416 0.915 20 0 CCADLP COC(=O)C(C)(C)[NH+]1CCN(C[C@H]([NH3+])CC(C)C)CC1 ZINC000414756367 389635444 /nfs/dbraw/zinc/63/54/44/389635444.db2.gz QPARXIIRHFHURD-CYBMUJFWSA-N 2 2 285.432 0.929 20 0 CCADLP COC(=O)c1cn([C@H]2CC[N@H+](C[C@@H]([NH3+])CC(C)C)C2)nn1 ZINC000414758618 389635522 /nfs/dbraw/zinc/63/55/22/389635522.db2.gz MUYJBXQTXFVVCZ-RYUDHWBXSA-N 2 2 295.387 0.685 20 0 CCADLP COC(=O)c1cn([C@H]2CC[N@@H+](C[C@@H]([NH3+])CC(C)C)C2)nn1 ZINC000414758618 389635525 /nfs/dbraw/zinc/63/55/25/389635525.db2.gz MUYJBXQTXFVVCZ-RYUDHWBXSA-N 2 2 295.387 0.685 20 0 CCADLP COC(=O)[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)[C@H]1C ZINC000351629305 389640161 /nfs/dbraw/zinc/64/01/61/389640161.db2.gz PCYMVDNGFQUDSC-CYZMBNFOSA-N 2 2 270.373 0.325 20 0 CCADLP COC(=O)[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)[C@H]1C ZINC000351629305 389640162 /nfs/dbraw/zinc/64/01/62/389640162.db2.gz PCYMVDNGFQUDSC-CYZMBNFOSA-N 2 2 270.373 0.325 20 0 CCADLP COC(=O)[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)[C@H]1C ZINC000351629305 389640166 /nfs/dbraw/zinc/64/01/66/389640166.db2.gz PCYMVDNGFQUDSC-CYZMBNFOSA-N 2 2 270.373 0.325 20 0 CCADLP COC(=O)[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)[C@H]1C ZINC000351629305 389640168 /nfs/dbraw/zinc/64/01/68/389640168.db2.gz PCYMVDNGFQUDSC-CYZMBNFOSA-N 2 2 270.373 0.325 20 0 CCADLP COCC[NH2+]CC[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000414881907 389642364 /nfs/dbraw/zinc/64/23/64/389642364.db2.gz KXAVOECNATYFAX-UHFFFAOYSA-N 2 2 291.351 0.108 20 0 CCADLP COCC[NH2+]CC[NH2+]Cc1ccc(-n2cncn2)c(C)c1 ZINC000414886853 389644209 /nfs/dbraw/zinc/64/42/09/389644209.db2.gz PYUFGAXUJMNCBK-UHFFFAOYSA-N 2 2 289.383 0.901 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(Cc2c[nH+]cn2C)CC1 ZINC000177161103 389574366 /nfs/dbraw/zinc/57/43/66/389574366.db2.gz SXDWOUYCKUBOBQ-GFCCVEGCSA-N 2 2 252.362 0.309 20 0 CCADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1cccc(S(N)(=O)=O)c1 ZINC000423378757 389576835 /nfs/dbraw/zinc/57/68/35/389576835.db2.gz ZTYCRLGTEMPPPD-COPLHBTASA-N 2 2 297.424 0.983 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000423395423 389578941 /nfs/dbraw/zinc/57/89/41/389578941.db2.gz SUQMEPGLSPZEGR-STQMWFEESA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000423395423 389578943 /nfs/dbraw/zinc/57/89/43/389578943.db2.gz SUQMEPGLSPZEGR-STQMWFEESA-N 2 2 283.416 0.602 20 0 CCADLP CC(C)[C@@H](C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)[C@@H](C)[NH3+] ZINC000423423365 389583977 /nfs/dbraw/zinc/58/39/77/389583977.db2.gz CCQXAKHILSMGGG-VXGBXAGGSA-N 2 2 298.431 0.014 20 0 CCADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)Nc3ccncc3)C[C@@H]12 ZINC000351479006 389586680 /nfs/dbraw/zinc/58/66/80/389586680.db2.gz QPUFWAVNVAWVDO-CYZMBNFOSA-N 2 2 260.341 0.111 20 0 CCADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)Nc3ccncc3)C[C@@H]12 ZINC000351479006 389586681 /nfs/dbraw/zinc/58/66/81/389586681.db2.gz QPUFWAVNVAWVDO-CYZMBNFOSA-N 2 2 260.341 0.111 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413966665 389587056 /nfs/dbraw/zinc/58/70/56/389587056.db2.gz LXRNNXAIJSQHIB-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413966665 389587057 /nfs/dbraw/zinc/58/70/57/389587057.db2.gz LXRNNXAIJSQHIB-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])c1 ZINC000423444825 389589115 /nfs/dbraw/zinc/58/91/15/389589115.db2.gz MFUFSQSIDLREHG-VWYCJHECSA-N 2 2 285.413 0.981 20 0 CCADLP [NH3+][C@H](CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C1CC1 ZINC000423469965 389590740 /nfs/dbraw/zinc/59/07/40/389590740.db2.gz CQDPETZUDOEJCS-KGLIPLIRSA-N 2 2 281.400 0.483 20 0 CCADLP [NH3+][C@H](CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C1CC1 ZINC000423469965 389590744 /nfs/dbraw/zinc/59/07/44/389590744.db2.gz CQDPETZUDOEJCS-KGLIPLIRSA-N 2 2 281.400 0.483 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@]2(C)CCO[C@H]2C2CC2)CC1 ZINC000374631232 389594505 /nfs/dbraw/zinc/59/45/05/389594505.db2.gz MVUHQCKASATMNV-LSDHHAIUSA-N 2 2 281.400 0.308 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@H](C[NH3+])C1CCCC1 ZINC000423496829 389594958 /nfs/dbraw/zinc/59/49/58/389594958.db2.gz FMNGSHKQCLSQMI-JHJVBQTASA-N 2 2 269.389 0.387 20 0 CCADLP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423496829 389594960 /nfs/dbraw/zinc/59/49/60/389594960.db2.gz FMNGSHKQCLSQMI-JHJVBQTASA-N 2 2 269.389 0.387 20 0 CCADLP C[C@H](CC[NH3+])NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000423514412 389599137 /nfs/dbraw/zinc/59/91/37/389599137.db2.gz SEMITNNQJNLTMW-SNVBAGLBSA-N 2 2 259.313 0.734 20 0 CCADLP C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@H]1C[NH2+]CCO1 ZINC000423550060 389601078 /nfs/dbraw/zinc/60/10/78/389601078.db2.gz FIZABHWWPHVSRX-LXTVHRRPSA-N 3 2 267.417 0.875 20 0 CCADLP COc1ccc(C[C@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)cn1 ZINC000414109812 389601113 /nfs/dbraw/zinc/60/11/13/389601113.db2.gz HNZZFTBFBFRIMJ-ZFWWWQNUSA-N 2 2 292.427 0.857 20 0 CCADLP COc1ccc(C[C@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cn1 ZINC000414109812 389601117 /nfs/dbraw/zinc/60/11/17/389601117.db2.gz HNZZFTBFBFRIMJ-ZFWWWQNUSA-N 2 2 292.427 0.857 20 0 CCADLP C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@H]1C[NH2+]CCO1 ZINC000423550057 389601319 /nfs/dbraw/zinc/60/13/19/389601319.db2.gz FIZABHWWPHVSRX-BYNSBNAKSA-N 3 2 267.417 0.875 20 0 CCADLP C[C@@H](NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)[C@H](C)[NH3+] ZINC000423689152 389605852 /nfs/dbraw/zinc/60/58/52/389605852.db2.gz YEWMOFLLGQJUCA-DMDPSCGWSA-N 2 2 269.389 0.482 20 0 CCADLP C[C@@H](NC(=O)[C@H]1COCC[N@H+]1C1CCCC1)[C@H](C)[NH3+] ZINC000423689152 389605856 /nfs/dbraw/zinc/60/58/56/389605856.db2.gz YEWMOFLLGQJUCA-DMDPSCGWSA-N 2 2 269.389 0.482 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1ccc(Br)cn1 ZINC000414969717 389649336 /nfs/dbraw/zinc/64/93/36/389649336.db2.gz TVGZVZZRUZCEIP-GFCCVEGCSA-N 2 2 299.216 0.837 20 0 CCADLP COc1cc(C)[nH+]c(CNC[C@H]2C[NH2+]CCN2C)c1 ZINC000414972378 389649351 /nfs/dbraw/zinc/64/93/51/389649351.db2.gz XUJYUYRQWLYSHE-CYBMUJFWSA-N 2 2 264.373 0.392 20 0 CCADLP CCc1nn(C)c(CC)c1C[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414966206 389649441 /nfs/dbraw/zinc/64/94/41/389649441.db2.gz OCVMJLWLTCPGLD-LBPRGKRZSA-N 2 2 279.432 0.538 20 0 CCADLP CC(C)[C@H]1C[N@H+](C)CCN1CC[NH+]1CCO[C@H](C)C1 ZINC000425487276 389649588 /nfs/dbraw/zinc/64/95/88/389649588.db2.gz VURPFBOHIDSEBC-HUUCEWRRSA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@H]1C[N@@H+](C)CCN1CC[NH+]1CCO[C@H](C)C1 ZINC000425487276 389649591 /nfs/dbraw/zinc/64/95/91/389649591.db2.gz VURPFBOHIDSEBC-HUUCEWRRSA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@H]1C[NH+](C)CCN1CC[N@@H+]1CCO[C@H](C)C1 ZINC000425487276 389649595 /nfs/dbraw/zinc/64/95/95/389649595.db2.gz VURPFBOHIDSEBC-HUUCEWRRSA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@H]1C[NH+](C)CCN1CC[N@H+]1CCO[C@H](C)C1 ZINC000425487276 389649599 /nfs/dbraw/zinc/64/95/99/389649599.db2.gz VURPFBOHIDSEBC-HUUCEWRRSA-N 2 2 269.433 0.979 20 0 CCADLP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)cc1OC ZINC000414965853 389649683 /nfs/dbraw/zinc/64/96/83/389649683.db2.gz NVWLDXUOFWZGJG-ZDUSSCGKSA-N 2 2 279.384 0.697 20 0 CCADLP CCN(CC)c1ncc(C[N@H+](C)C[C@@H](O)C[NH3+])s1 ZINC000415047057 389654604 /nfs/dbraw/zinc/65/46/04/389654604.db2.gz ADRRSBCTTZSJEJ-JTQLQIEISA-N 2 2 272.418 0.741 20 0 CCADLP CCN(CC)c1ncc(C[N@@H+](C)C[C@@H](O)C[NH3+])s1 ZINC000415047057 389654611 /nfs/dbraw/zinc/65/46/11/389654611.db2.gz ADRRSBCTTZSJEJ-JTQLQIEISA-N 2 2 272.418 0.741 20 0 CCADLP C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)C[C@H](O)C[NH3+] ZINC000415070875 389655546 /nfs/dbraw/zinc/65/55/46/389655546.db2.gz RKQLMSXRKAYHLT-CYBMUJFWSA-N 2 2 260.341 0.828 20 0 CCADLP C[N@H+](Cc1cc(-c2ccccc2)n[nH]1)C[C@H](O)C[NH3+] ZINC000415070875 389655547 /nfs/dbraw/zinc/65/55/47/389655547.db2.gz RKQLMSXRKAYHLT-CYBMUJFWSA-N 2 2 260.341 0.828 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@@H]2C[NH2+]CCO2)oc1C ZINC000415097592 389658381 /nfs/dbraw/zinc/65/83/81/389658381.db2.gz SZCLRRVJJFSJTH-NSHDSACASA-N 2 2 268.313 0.453 20 0 CCADLP COc1cc(C[NH2+]C[C@@H]2C[NH2+]CCO2)cc(OC)c1 ZINC000415095686 389658739 /nfs/dbraw/zinc/65/87/39/389658739.db2.gz NOPCZWRPSDXZJF-AWEZNQCLSA-N 2 2 266.341 0.782 20 0 CCADLP C([NH2+][C@H]1CC[NH2+]C1)C1(N2CCOCC2)CCCCC1 ZINC000415099228 389659822 /nfs/dbraw/zinc/65/98/22/389659822.db2.gz GKRTVHMRIRJMAB-AWEZNQCLSA-N 2 2 267.417 0.973 20 0 CCADLP C[C@H](C(=O)N(C)CC(C)(C)C[NH3+])[NH+]1CCOCC1 ZINC000429538255 389759751 /nfs/dbraw/zinc/75/97/51/389759751.db2.gz HISWGIIUMUTMEP-LLVKDONJSA-N 2 2 257.378 0.150 20 0 CCADLP C[NH+](C)C1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000429675213 389764272 /nfs/dbraw/zinc/76/42/72/389764272.db2.gz WMJAOERWJZIOFG-UHFFFAOYSA-N 3 2 282.432 0.177 20 0 CCADLP CC[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@]2(CCOC2)O1 ZINC000352368663 389799351 /nfs/dbraw/zinc/79/93/51/389799351.db2.gz JWULVTYVDCIKQA-XHSDSOJGSA-N 2 2 298.427 0.711 20 0 CCADLP CC[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@]2(CCOC2)O1 ZINC000352368663 389799354 /nfs/dbraw/zinc/79/93/54/389799354.db2.gz JWULVTYVDCIKQA-XHSDSOJGSA-N 2 2 298.427 0.711 20 0 CCADLP CC[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C[C@]2(CCOC2)O1 ZINC000352368663 389799356 /nfs/dbraw/zinc/79/93/56/389799356.db2.gz JWULVTYVDCIKQA-XHSDSOJGSA-N 2 2 298.427 0.711 20 0 CCADLP CC[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C[C@]2(CCOC2)O1 ZINC000352368663 389799359 /nfs/dbraw/zinc/79/93/59/389799359.db2.gz JWULVTYVDCIKQA-XHSDSOJGSA-N 2 2 298.427 0.711 20 0 CCADLP C[C@@H](CC[NH3+])NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000416826904 389774004 /nfs/dbraw/zinc/77/40/04/389774004.db2.gz MXMDTPDOEMZBPU-NSHDSACASA-N 2 2 272.393 0.134 20 0 CCADLP CC(C)(CNC(=O)N1CCCC[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000416835297 389775520 /nfs/dbraw/zinc/77/55/20/389775520.db2.gz YKCKMBMIYSCHSA-CYBMUJFWSA-N 2 2 298.431 0.620 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000417000636 389788235 /nfs/dbraw/zinc/78/82/35/389788235.db2.gz DGOGATJOYPMTOB-YPMHNXCESA-N 2 2 291.399 0.945 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000417025521 389790933 /nfs/dbraw/zinc/79/09/33/389790933.db2.gz LRXVCTPGDWHCIA-MCIONIFRSA-N 2 2 298.431 0.524 20 0 CCADLP C[C@H](CCCC[NH3+])NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000417041578 389791613 /nfs/dbraw/zinc/79/16/13/389791613.db2.gz WKAJXFQGRZBXCW-OLZOCXBDSA-N 2 2 286.420 0.524 20 0 CCADLP CC(C)[C@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[C@@H](C)[NH3+] ZINC000399669108 389793696 /nfs/dbraw/zinc/79/36/96/389793696.db2.gz RUCHBENIVNPZBO-MCIONIFRSA-N 2 2 283.416 0.539 20 0 CCADLP C[C@@H]([NH3+])C1CCN(C(=O)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000428925810 389726481 /nfs/dbraw/zinc/72/64/81/389726481.db2.gz WUVSYWMTEYCIFV-VXGBXAGGSA-N 2 2 269.389 0.293 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H](C2CC2)O1 ZINC000375930334 389726513 /nfs/dbraw/zinc/72/65/13/389726513.db2.gz YOJZACRSMLACAN-GXTWGEPZSA-N 2 2 281.400 0.260 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H](C2CC2)O1 ZINC000375930334 389726517 /nfs/dbraw/zinc/72/65/17/389726517.db2.gz YOJZACRSMLACAN-GXTWGEPZSA-N 2 2 281.400 0.260 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429031531 389734146 /nfs/dbraw/zinc/73/41/46/389734146.db2.gz UOZJGFFAKIBLMR-OAHLLOKOSA-N 2 2 296.415 0.496 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429031531 389734148 /nfs/dbraw/zinc/73/41/48/389734148.db2.gz UOZJGFFAKIBLMR-OAHLLOKOSA-N 2 2 296.415 0.496 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429031531 389734149 /nfs/dbraw/zinc/73/41/49/389734149.db2.gz UOZJGFFAKIBLMR-OAHLLOKOSA-N 2 2 296.415 0.496 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000429031531 389734151 /nfs/dbraw/zinc/73/41/51/389734151.db2.gz UOZJGFFAKIBLMR-OAHLLOKOSA-N 2 2 296.415 0.496 20 0 CCADLP C[C@@]1(F)C[NH2+]CCN(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000416438175 389743542 /nfs/dbraw/zinc/74/35/42/389743542.db2.gz NWMGENBIRQYUKT-CYBMUJFWSA-N 2 2 283.351 0.616 20 0 CCADLP [NH3+][C@@H]1CCC[C@H](CNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000416438394 389743899 /nfs/dbraw/zinc/74/38/99/389743899.db2.gz ODPGEHVCASKOJO-QWHCGFSZSA-N 2 2 284.404 0.135 20 0 CCADLP Cc1nc(N2CC[C@H]3CC[N@H+](C)C[C@@H]32)nc(N(C)C)[nH+]1 ZINC000352089237 389749980 /nfs/dbraw/zinc/74/99/80/389749980.db2.gz JFBWZNYXODYAHQ-NEPJUHHUSA-N 2 2 276.388 0.776 20 0 CCADLP Cc1nc(N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)nc(N(C)C)[nH+]1 ZINC000352089237 389749983 /nfs/dbraw/zinc/74/99/83/389749983.db2.gz JFBWZNYXODYAHQ-NEPJUHHUSA-N 2 2 276.388 0.776 20 0 CCADLP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430601081 389811614 /nfs/dbraw/zinc/81/16/14/389811614.db2.gz TUHWSIZCGJFWQP-NSHDSACASA-N 2 2 298.431 0.029 20 0 CCADLP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430601081 389811617 /nfs/dbraw/zinc/81/16/17/389811617.db2.gz TUHWSIZCGJFWQP-NSHDSACASA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430628204 389814334 /nfs/dbraw/zinc/81/43/34/389814334.db2.gz UVHAEOARMQKAJL-LBPRGKRZSA-N 2 2 262.419 0.870 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430628204 389814336 /nfs/dbraw/zinc/81/43/36/389814336.db2.gz UVHAEOARMQKAJL-LBPRGKRZSA-N 2 2 262.419 0.870 20 0 CCADLP CC(C)([NH3+])CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000417421693 389815075 /nfs/dbraw/zinc/81/50/75/389815075.db2.gz JGAVKKLPFSOJCH-UHFFFAOYSA-N 2 2 272.393 0.134 20 0 CCADLP CC(C)([NH3+])CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000417421693 389815080 /nfs/dbraw/zinc/81/50/80/389815080.db2.gz JGAVKKLPFSOJCH-UHFFFAOYSA-N 2 2 272.393 0.134 20 0 CCADLP CCC[C@H]1C[NH2+]CCN1C(=O)NCc1[nH+]ccn1C ZINC000417479133 389819995 /nfs/dbraw/zinc/81/99/95/389819995.db2.gz JNWXRQDGLNRKRL-NSHDSACASA-N 2 2 265.361 0.704 20 0 CCADLP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)[C@@H]1CC[NH2+]C1 ZINC000430746531 389821849 /nfs/dbraw/zinc/82/18/49/389821849.db2.gz HXMHRRBUGGNASA-CYBMUJFWSA-N 2 2 290.367 0.144 20 0 CCADLP C[C@@H]1CCN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C[C@@H]1C[NH3+] ZINC000417517466 389825403 /nfs/dbraw/zinc/82/54/03/389825403.db2.gz QGUMXARLTMGJBL-RDBSUJKOSA-N 2 2 298.431 0.333 20 0 CCADLP C[C@@H]1CCN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)C[C@@H]1C[NH3+] ZINC000417517466 389825405 /nfs/dbraw/zinc/82/54/05/389825405.db2.gz QGUMXARLTMGJBL-RDBSUJKOSA-N 2 2 298.431 0.333 20 0 CCADLP COC(=O)c1cc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c[nH]1 ZINC000352540103 389828796 /nfs/dbraw/zinc/82/87/96/389828796.db2.gz HDEBPQOFVQNEAZ-ZDUSSCGKSA-N 2 2 292.383 0.281 20 0 CCADLP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@H]1COCC[NH2+]1 ZINC000430878315 389830792 /nfs/dbraw/zinc/83/07/92/389830792.db2.gz IHUWUAPIBRNDMP-FRRDWIJNSA-N 2 2 269.389 0.354 20 0 CCADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@H]1COCC[NH2+]1 ZINC000430878315 389830793 /nfs/dbraw/zinc/83/07/93/389830793.db2.gz IHUWUAPIBRNDMP-FRRDWIJNSA-N 2 2 269.389 0.354 20 0 CCADLP C[C@@H](CC(=O)NCC[N@@H+]1CCOC[C@@H]1C)C1CC[NH2+]CC1 ZINC000430892498 389832704 /nfs/dbraw/zinc/83/27/04/389832704.db2.gz FRDYVVJUOQAPNW-KBPBESRZSA-N 2 2 297.443 0.849 20 0 CCADLP C[C@@H](CC(=O)NCC[N@H+]1CCOC[C@@H]1C)C1CC[NH2+]CC1 ZINC000430892498 389832708 /nfs/dbraw/zinc/83/27/08/389832708.db2.gz FRDYVVJUOQAPNW-KBPBESRZSA-N 2 2 297.443 0.849 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000418376407 389873866 /nfs/dbraw/zinc/87/38/66/389873866.db2.gz GEJZBKRWJSDPDF-KBPBESRZSA-N 2 2 298.431 0.476 20 0 CCADLP NC(=O)[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430937057 389837904 /nfs/dbraw/zinc/83/79/04/389837904.db2.gz YVJCARUUXMIZSF-SKDRFNHKSA-N 2 2 251.305 0.633 20 0 CCADLP NC(=O)[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430937057 389837906 /nfs/dbraw/zinc/83/79/06/389837906.db2.gz YVJCARUUXMIZSF-SKDRFNHKSA-N 2 2 251.305 0.633 20 0 CCADLP NC(=O)[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430937055 389837913 /nfs/dbraw/zinc/83/79/13/389837913.db2.gz YVJCARUUXMIZSF-CABZTGNLSA-N 2 2 251.305 0.633 20 0 CCADLP NC(=O)[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430937055 389837916 /nfs/dbraw/zinc/83/79/16/389837916.db2.gz YVJCARUUXMIZSF-CABZTGNLSA-N 2 2 251.305 0.633 20 0 CCADLP C[NH2+]C1CC[NH+](CCn2c(C)csc2=O)CC1 ZINC000430943369 389838644 /nfs/dbraw/zinc/83/86/44/389838644.db2.gz OWWAJSKFNIVAMS-UHFFFAOYSA-N 2 2 255.387 0.902 20 0 CCADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)NCCOc2cccc(F)c2)C1 ZINC000430950330 389839232 /nfs/dbraw/zinc/83/92/32/389839232.db2.gz QZNIYZGIXRXZQU-LBPRGKRZSA-N 2 2 295.358 0.601 20 0 CCADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)NCCOc2cccc(F)c2)C1 ZINC000430950330 389839233 /nfs/dbraw/zinc/83/92/33/389839233.db2.gz QZNIYZGIXRXZQU-LBPRGKRZSA-N 2 2 295.358 0.601 20 0 CCADLP C[C@@H]1C[N@H+](CCNS(=O)(=O)c2ccccc2)CC[C@@H]1[NH3+] ZINC000430960052 389840966 /nfs/dbraw/zinc/84/09/66/389840966.db2.gz GMZNADPMQISVGV-OCCSQVGLSA-N 2 2 297.424 0.634 20 0 CCADLP C[C@@H]1C[N@@H+](CCNS(=O)(=O)c2ccccc2)CC[C@@H]1[NH3+] ZINC000430960052 389840971 /nfs/dbraw/zinc/84/09/71/389840971.db2.gz GMZNADPMQISVGV-OCCSQVGLSA-N 2 2 297.424 0.634 20 0 CCADLP [NH3+]C[C@@H]1CC[N@@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000430964806 389841212 /nfs/dbraw/zinc/84/12/12/389841212.db2.gz GKANWRNQZCFREQ-IUCAKERBSA-N 2 2 265.279 0.430 20 0 CCADLP [NH3+]C[C@@H]1CC[N@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000430964806 389841218 /nfs/dbraw/zinc/84/12/18/389841218.db2.gz GKANWRNQZCFREQ-IUCAKERBSA-N 2 2 265.279 0.430 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430967907 389842041 /nfs/dbraw/zinc/84/20/41/389842041.db2.gz UTQUNGRVJBQQJA-GARJFASQSA-N 2 2 270.377 0.278 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430967907 389842043 /nfs/dbraw/zinc/84/20/43/389842043.db2.gz UTQUNGRVJBQQJA-GARJFASQSA-N 2 2 270.377 0.278 20 0 CCADLP Cn1cc([C@H]2CC[N@H+](Cc3nc(C(C)(C)[NH3+])no3)C2)cn1 ZINC000431071611 389848761 /nfs/dbraw/zinc/84/87/61/389848761.db2.gz PPZFQYFKXCWZSJ-JTQLQIEISA-N 2 2 290.371 0.986 20 0 CCADLP Cn1cc([C@H]2CC[N@@H+](Cc3nc(C(C)(C)[NH3+])no3)C2)cn1 ZINC000431071611 389848764 /nfs/dbraw/zinc/84/87/64/389848764.db2.gz PPZFQYFKXCWZSJ-JTQLQIEISA-N 2 2 290.371 0.986 20 0 CCADLP CN(CCCO)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000442652673 389853129 /nfs/dbraw/zinc/85/31/29/389853129.db2.gz OBDPKQUCKWKUAX-UHFFFAOYSA-N 2 2 286.420 0.036 20 0 CCADLP CCN(C)C(=O)CC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000431400975 389858874 /nfs/dbraw/zinc/85/88/74/389858874.db2.gz FQSFYWMLZRKYTM-UHFFFAOYSA-N 2 2 271.405 0.243 20 0 CCADLP CCN(C)C(=O)CC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000431400975 389858876 /nfs/dbraw/zinc/85/88/76/389858876.db2.gz FQSFYWMLZRKYTM-UHFFFAOYSA-N 2 2 271.405 0.243 20 0 CCADLP COCCc1noc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)n1 ZINC000442763701 389861792 /nfs/dbraw/zinc/86/17/92/389861792.db2.gz JAUGPRHIJNUWHY-UWVGGRQHSA-N 2 2 254.334 0.428 20 0 CCADLP COCCc1noc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)n1 ZINC000442763701 389861793 /nfs/dbraw/zinc/86/17/93/389861793.db2.gz JAUGPRHIJNUWHY-UWVGGRQHSA-N 2 2 254.334 0.428 20 0 CCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1[C@H]1CCN(CC(F)(F)F)C1=O ZINC000442780917 389862763 /nfs/dbraw/zinc/86/27/63/389862763.db2.gz OLZWKZVWZPZUOU-UTLUCORTSA-N 2 2 279.306 0.819 20 0 CCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1[C@H]1CCN(CC(F)(F)F)C1=O ZINC000442780917 389862765 /nfs/dbraw/zinc/86/27/65/389862765.db2.gz OLZWKZVWZPZUOU-UTLUCORTSA-N 2 2 279.306 0.819 20 0 CCADLP CCn1c[nH+]cc1CN1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000418037841 389867233 /nfs/dbraw/zinc/86/72/33/389867233.db2.gz XTYWOLCKBPWODD-OLZOCXBDSA-N 2 2 266.389 0.790 20 0 CCADLP CCn1c[nH+]cc1CN1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000418037841 389867236 /nfs/dbraw/zinc/86/72/36/389867236.db2.gz XTYWOLCKBPWODD-OLZOCXBDSA-N 2 2 266.389 0.790 20 0 CCADLP CN1CC[NH+](Cc2cccc(NC(=O)[C@H]3CC[NH2+]3)c2)CC1 ZINC000444271988 389898762 /nfs/dbraw/zinc/89/87/62/389898762.db2.gz UCEFBVUCYGTBBK-OAHLLOKOSA-N 2 2 288.395 0.734 20 0 CCADLP CC(C)c1nc(N2CC[C@@H]([NH3+])C2)nc(N(C)C)[nH+]1 ZINC000420167617 389961645 /nfs/dbraw/zinc/96/16/45/389961645.db2.gz JGKBNTKGBIHYPW-SECBINFHSA-N 2 2 250.350 0.598 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCN(CC(F)F)C2)n1C ZINC000419835434 389921369 /nfs/dbraw/zinc/92/13/69/389921369.db2.gz AELOHDFLVSELFM-SNVBAGLBSA-N 2 2 287.358 0.915 20 0 CCADLP CCOCC[C@H](O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000434633950 389939159 /nfs/dbraw/zinc/93/91/59/389939159.db2.gz NSJGTGQKBZASKD-AWEZNQCLSA-N 2 2 274.405 0.162 20 0 CCADLP CCOCC[C@H](O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000434633950 389939160 /nfs/dbraw/zinc/93/91/60/389939160.db2.gz NSJGTGQKBZASKD-AWEZNQCLSA-N 2 2 274.405 0.162 20 0 CCADLP CN(C)c1ccc(CNC(=O)C[C@H]2CSCC[NH2+]2)c[nH+]1 ZINC000434872470 389949064 /nfs/dbraw/zinc/94/90/64/389949064.db2.gz CHKJRSHUIOLTJT-LBPRGKRZSA-N 2 2 294.424 0.859 20 0 CCADLP CC[C@@H](F)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000440704856 390042962 /nfs/dbraw/zinc/04/29/62/390042962.db2.gz MXGOKHGKFVXROO-CYBMUJFWSA-N 2 2 271.380 0.975 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCN1CCO[C@H](C)C1 ZINC000420278693 389976863 /nfs/dbraw/zinc/97/68/63/389976863.db2.gz WCIOKFZOZJMMDU-RDBSUJKOSA-N 2 2 255.406 0.909 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCN1CCO[C@H](C)C1 ZINC000420278693 389976864 /nfs/dbraw/zinc/97/68/64/389976864.db2.gz WCIOKFZOZJMMDU-RDBSUJKOSA-N 2 2 255.406 0.909 20 0 CCADLP C[N@H+](CCC[NH+]1CCCCC1)CC(=O)N1CC[NH2+]CC1 ZINC000420305336 389980679 /nfs/dbraw/zinc/98/06/79/389980679.db2.gz YVGAARLAGHHALY-UHFFFAOYSA-N 3 2 282.432 0.226 20 0 CCADLP C[N@@H+](CCC[NH+]1CCCCC1)CC(=O)N1CC[NH2+]CC1 ZINC000420305336 389980680 /nfs/dbraw/zinc/98/06/80/389980680.db2.gz YVGAARLAGHHALY-UHFFFAOYSA-N 3 2 282.432 0.226 20 0 CCADLP CC(C)OC(=O)CC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420316117 389982886 /nfs/dbraw/zinc/98/28/86/389982886.db2.gz XTVHTGWRTVHLRU-ZDUSSCGKSA-N 2 2 297.399 0.224 20 0 CCADLP CC(C)OC(=O)CC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420316117 389982887 /nfs/dbraw/zinc/98/28/87/389982887.db2.gz XTVHTGWRTVHLRU-ZDUSSCGKSA-N 2 2 297.399 0.224 20 0 CCADLP CN(CC(F)(F)F)C(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000420345597 389986774 /nfs/dbraw/zinc/98/67/74/389986774.db2.gz ZXYOPIKHOPKGGQ-UHFFFAOYSA-N 2 2 253.268 0.429 20 0 CCADLP CN(CC(F)(F)F)C(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000420345597 389986776 /nfs/dbraw/zinc/98/67/76/389986776.db2.gz ZXYOPIKHOPKGGQ-UHFFFAOYSA-N 2 2 253.268 0.429 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000420344747 389986983 /nfs/dbraw/zinc/98/69/83/389986983.db2.gz UPHSXPHXCCYKQK-QZWWFDLISA-N 3 2 289.423 0.601 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000420344747 389986985 /nfs/dbraw/zinc/98/69/85/389986985.db2.gz UPHSXPHXCCYKQK-QZWWFDLISA-N 3 2 289.423 0.601 20 0 CCADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420349500 389987693 /nfs/dbraw/zinc/98/76/93/389987693.db2.gz DAQSZPNQVBOWDN-ZFWWWQNUSA-N 2 2 293.411 0.593 20 0 CCADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420349500 389987695 /nfs/dbraw/zinc/98/76/95/389987695.db2.gz DAQSZPNQVBOWDN-ZFWWWQNUSA-N 2 2 293.411 0.593 20 0 CCADLP C[N@H+](C[C@H](O)C[NH3+])[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000420350213 389988429 /nfs/dbraw/zinc/98/84/29/389988429.db2.gz GBEUUMHSLUZLTR-OLZOCXBDSA-N 2 2 297.786 0.697 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH3+])[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000420350213 389988431 /nfs/dbraw/zinc/98/84/31/389988431.db2.gz GBEUUMHSLUZLTR-OLZOCXBDSA-N 2 2 297.786 0.697 20 0 CCADLP Cc1cccc(NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C[NH3+])c1C ZINC000420350523 389988535 /nfs/dbraw/zinc/98/85/35/389988535.db2.gz HFACJHZQGZTNOF-CHWSQXEVSA-N 2 2 279.384 0.882 20 0 CCADLP Cc1cccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C[NH3+])c1C ZINC000420350523 389988537 /nfs/dbraw/zinc/98/85/37/389988537.db2.gz HFACJHZQGZTNOF-CHWSQXEVSA-N 2 2 279.384 0.882 20 0 CCADLP C[C@@H](C(=O)N(C)c1ccccc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420351061 389989017 /nfs/dbraw/zinc/98/90/17/389989017.db2.gz IXHUBDICQLJKIK-WCQYABFASA-N 2 2 265.357 0.289 20 0 CCADLP C[C@@H](C(=O)N(C)c1ccccc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420351061 389989020 /nfs/dbraw/zinc/98/90/20/389989020.db2.gz IXHUBDICQLJKIK-WCQYABFASA-N 2 2 265.357 0.289 20 0 CCADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420352243 389989849 /nfs/dbraw/zinc/98/98/49/389989849.db2.gz LUSVMRIYCUQNNE-SKDRFNHKSA-N 2 2 285.775 0.918 20 0 CCADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420352243 389989852 /nfs/dbraw/zinc/98/98/52/389989852.db2.gz LUSVMRIYCUQNNE-SKDRFNHKSA-N 2 2 285.775 0.918 20 0 CCADLP Cc1ccc(CNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000420354575 389990217 /nfs/dbraw/zinc/99/02/17/389990217.db2.gz OTSVNHOIHZCGMB-JSGCOSHPSA-N 2 2 279.384 0.251 20 0 CCADLP Cc1ccc(CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000420354575 389990219 /nfs/dbraw/zinc/99/02/19/389990219.db2.gz OTSVNHOIHZCGMB-JSGCOSHPSA-N 2 2 279.384 0.251 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)CC1 ZINC000420355990 389990893 /nfs/dbraw/zinc/99/08/93/389990893.db2.gz CGEPDFVJZJUVQT-CBBWQLFWSA-N 3 2 296.459 0.515 20 0 CCADLP CC[C@@H](CO)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000437107299 389991116 /nfs/dbraw/zinc/99/11/16/389991116.db2.gz KAPOMQKOPNUBRF-AWEZNQCLSA-N 2 2 285.432 0.144 20 0 CCADLP CC[C@@H](CO)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000437107299 389991117 /nfs/dbraw/zinc/99/11/17/389991117.db2.gz KAPOMQKOPNUBRF-AWEZNQCLSA-N 2 2 285.432 0.144 20 0 CCADLP Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420362569 389992261 /nfs/dbraw/zinc/99/22/61/389992261.db2.gz ZDKXSIXTFXIRGD-HIFRSBDPSA-N 2 2 293.411 0.294 20 0 CCADLP Cc1ccccc1C[C@@H](C)NC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420362569 389992264 /nfs/dbraw/zinc/99/22/64/389992264.db2.gz ZDKXSIXTFXIRGD-HIFRSBDPSA-N 2 2 293.411 0.294 20 0 CCADLP CC1(C)NC(=O)CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449387662 389993726 /nfs/dbraw/zinc/99/37/26/389993726.db2.gz MLHVQOHLHMJACT-OLZOCXBDSA-N 2 2 283.416 0.480 20 0 CCADLP CC1(C)NC(=O)CC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449387662 389993727 /nfs/dbraw/zinc/99/37/27/389993727.db2.gz MLHVQOHLHMJACT-OLZOCXBDSA-N 2 2 283.416 0.480 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420370235 389993751 /nfs/dbraw/zinc/99/37/51/389993751.db2.gz OURUJYQLFCWWOI-NQBHXWOUSA-N 2 2 284.404 0.444 20 0 CCADLP C[C@H](C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)CS(C)(=O)=O ZINC000420375525 389994299 /nfs/dbraw/zinc/99/42/99/389994299.db2.gz TWYVDSFKFMKLNV-NOOOWODRSA-N 2 2 262.419 0.643 20 0 CCADLP CCc1nc(C2([NH2+]CCOCC[NH3+])CCCC2)no1 ZINC000420378439 389994718 /nfs/dbraw/zinc/99/47/18/389994718.db2.gz UJDKOMWMUPOVFK-UHFFFAOYSA-N 2 2 268.361 0.966 20 0 CCADLP C[N@H+](CC[NH3+])CCCCN1C(=O)c2ccccc2C1=O ZINC000420379128 389994739 /nfs/dbraw/zinc/99/47/39/389994739.db2.gz MQUKGHAEPMMIHL-UHFFFAOYSA-N 2 2 275.352 0.953 20 0 CCADLP C[N@@H+](CC[NH3+])CCCCN1C(=O)c2ccccc2C1=O ZINC000420379128 389994741 /nfs/dbraw/zinc/99/47/41/389994741.db2.gz MQUKGHAEPMMIHL-UHFFFAOYSA-N 2 2 275.352 0.953 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CCC[NH2+]C)CC1 ZINC000420390792 389996094 /nfs/dbraw/zinc/99/60/94/389996094.db2.gz QVEAEJAFSOTJQO-ZDUSSCGKSA-N 3 2 270.421 0.080 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CCC[NH2+]C)CC1 ZINC000420390792 389996097 /nfs/dbraw/zinc/99/60/97/389996097.db2.gz QVEAEJAFSOTJQO-ZDUSSCGKSA-N 3 2 270.421 0.080 20 0 CCADLP C[NH2+]CCC[N@H+](C)CC(=O)NCCOc1ccc(F)cc1 ZINC000420391399 389996172 /nfs/dbraw/zinc/99/61/72/389996172.db2.gz SKNYYAJXAFKXHA-UHFFFAOYSA-N 2 2 297.374 0.862 20 0 CCADLP C[NH2+]CCC[N@@H+](C)CC(=O)NCCOc1ccc(F)cc1 ZINC000420391399 389996173 /nfs/dbraw/zinc/99/61/73/389996173.db2.gz SKNYYAJXAFKXHA-UHFFFAOYSA-N 2 2 297.374 0.862 20 0 CCADLP O=C(C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1ccncc1 ZINC000420393896 389996287 /nfs/dbraw/zinc/99/62/87/389996287.db2.gz KEDHQHHUNADIIN-HIFRSBDPSA-N 2 2 288.395 0.906 20 0 CCADLP O=C(C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1ccncc1 ZINC000420393896 389996288 /nfs/dbraw/zinc/99/62/88/389996288.db2.gz KEDHQHHUNADIIN-HIFRSBDPSA-N 2 2 288.395 0.906 20 0 CCADLP O[C@H](C[NH2+]Cc1cc(C(F)(F)F)n[nH]1)C[NH+]1CCCC1 ZINC000440803432 390045300 /nfs/dbraw/zinc/04/53/00/390045300.db2.gz UEFKVGWIFRMUNJ-SNVBAGLBSA-N 2 2 292.305 0.975 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC2CN(S(=O)(=O)CC)C2)C1 ZINC000438907858 390011648 /nfs/dbraw/zinc/01/16/48/390011648.db2.gz CDIIPCWPPHKWCK-DGCLKSJQSA-N 2 2 289.445 0.198 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC2CN(S(=O)(=O)CC)C2)C1 ZINC000438907858 390011651 /nfs/dbraw/zinc/01/16/51/390011651.db2.gz CDIIPCWPPHKWCK-DGCLKSJQSA-N 2 2 289.445 0.198 20 0 CCADLP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CC[NH+](CCO)CC1 ZINC000439890731 390027922 /nfs/dbraw/zinc/02/79/22/390027922.db2.gz BBVRARZSIQIHGF-HNNXBMFYSA-N 2 2 295.427 0.530 20 0 CCADLP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CC[NH+](CCO)CC1 ZINC000439890731 390027923 /nfs/dbraw/zinc/02/79/23/390027923.db2.gz BBVRARZSIQIHGF-HNNXBMFYSA-N 2 2 295.427 0.530 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+](C[C@H]3C[C@@H](O)C3)CC2)c1 ZINC000420903410 390036903 /nfs/dbraw/zinc/03/69/03/390036903.db2.gz OGXFYLGGFVRHNI-BETUJISGSA-N 2 2 277.368 0.983 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)[C@H]2C[NH+](C)C[C@H]2C)CCO1 ZINC000487492846 390087605 /nfs/dbraw/zinc/08/76/05/390087605.db2.gz AKWVXGZQOHADQL-MCIONIFRSA-N 2 2 283.416 0.411 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)[C@H]2C[NH+](C)C[C@H]2C)CCO1 ZINC000487492846 390087606 /nfs/dbraw/zinc/08/76/06/390087606.db2.gz AKWVXGZQOHADQL-MCIONIFRSA-N 2 2 283.416 0.411 20 0 CCADLP CC[C@@H]1C[NH+](CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CCO1 ZINC000487492846 390087607 /nfs/dbraw/zinc/08/76/07/390087607.db2.gz AKWVXGZQOHADQL-MCIONIFRSA-N 2 2 283.416 0.411 20 0 CCADLP CC[C@@H]1C[NH+](CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CCO1 ZINC000487492846 390087608 /nfs/dbraw/zinc/08/76/08/390087608.db2.gz AKWVXGZQOHADQL-MCIONIFRSA-N 2 2 283.416 0.411 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000487732418 390089608 /nfs/dbraw/zinc/08/96/08/390089608.db2.gz RQTOCBUYMHTORM-KBXIAJHMSA-N 2 2 295.427 0.506 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000487732418 390089609 /nfs/dbraw/zinc/08/96/09/390089609.db2.gz RQTOCBUYMHTORM-KBXIAJHMSA-N 2 2 295.427 0.506 20 0 CCADLP Cc1nc(N[C@@H](C)C[NH+]2CCCCC2)nc(N(C)C)[nH+]1 ZINC000488362742 390093023 /nfs/dbraw/zinc/09/30/23/390093023.db2.gz DWYMIRUTAIZKKR-NSHDSACASA-N 2 2 278.404 0.954 20 0 CCADLP Cc1nc(NC[C@H]2CC[N@@H+](C)C2)nc(N(C)C)[nH+]1 ZINC000488402002 390093523 /nfs/dbraw/zinc/09/35/23/390093523.db2.gz WWUDSWPPTSFPTH-SNVBAGLBSA-N 2 2 250.350 0.032 20 0 CCADLP Cc1nc(N(C)C)nc(NC[C@H]2CC[N@H+](C)C2)[nH+]1 ZINC000488402002 390093524 /nfs/dbraw/zinc/09/35/24/390093524.db2.gz WWUDSWPPTSFPTH-SNVBAGLBSA-N 2 2 250.350 0.032 20 0 CCADLP Cc1nc(N(C)C)nc(NC[C@H]2CC[N@@H+](C)C2)[nH+]1 ZINC000488402002 390093525 /nfs/dbraw/zinc/09/35/25/390093525.db2.gz WWUDSWPPTSFPTH-SNVBAGLBSA-N 2 2 250.350 0.032 20 0 CCADLP Cc1nc(N(C)CC[NH+]2CCCC2)nc(N(C)C)[nH+]1 ZINC000488428576 390093922 /nfs/dbraw/zinc/09/39/22/390093922.db2.gz CNJUCQRKIFLINC-UHFFFAOYSA-N 2 2 264.377 0.778 20 0 CCADLP Cc1nc(N2CC[N@@H+](C)CC[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000488427550 390093985 /nfs/dbraw/zinc/09/39/85/390093985.db2.gz VCXKFVLSEJVBLU-JTQLQIEISA-N 2 2 264.377 0.776 20 0 CCADLP Cc1nc(N2CC[N@H+](C)CC[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000488427550 390093986 /nfs/dbraw/zinc/09/39/86/390093986.db2.gz VCXKFVLSEJVBLU-JTQLQIEISA-N 2 2 264.377 0.776 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000457727841 390049046 /nfs/dbraw/zinc/04/90/46/390049046.db2.gz JETFEERWCHJNKQ-LBPRGKRZSA-N 2 2 262.357 0.969 20 0 CCADLP CC[N@H+](CCNC(=O)NCCc1cn(C)c[nH+]1)C(C)C ZINC000458196393 390054056 /nfs/dbraw/zinc/05/40/56/390054056.db2.gz DYZKQGFKJFIXDX-UHFFFAOYSA-N 2 2 281.404 0.992 20 0 CCADLP CC[N@@H+](CCNC(=O)NCCc1cn(C)c[nH+]1)C(C)C ZINC000458196393 390054057 /nfs/dbraw/zinc/05/40/57/390054057.db2.gz DYZKQGFKJFIXDX-UHFFFAOYSA-N 2 2 281.404 0.992 20 0 CCADLP C[C@@H]1CN(C(=O)/C=C\c2[nH]cc[nH+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000493235199 390121416 /nfs/dbraw/zinc/12/14/16/390121416.db2.gz FLVKJEIZPOLAHJ-FAQRPARDSA-N 2 2 290.367 0.602 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C[C@@H]1C ZINC000493251644 390121660 /nfs/dbraw/zinc/12/16/60/390121660.db2.gz GEYMCXKQLDQZQC-QSKOYVBTSA-N 2 2 278.356 0.336 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C[C@@H]1C ZINC000493251644 390121661 /nfs/dbraw/zinc/12/16/61/390121661.db2.gz GEYMCXKQLDQZQC-QSKOYVBTSA-N 2 2 278.356 0.336 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1CNc1cc(NC2CC2)[nH+]cn1 ZINC000579092285 390140161 /nfs/dbraw/zinc/14/01/61/390140161.db2.gz XWHISUALHCVLPG-LBPRGKRZSA-N 2 2 276.388 0.709 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1CNc1cc(NC2CC2)[nH+]cn1 ZINC000579092285 390140167 /nfs/dbraw/zinc/14/01/67/390140167.db2.gz XWHISUALHCVLPG-LBPRGKRZSA-N 2 2 276.388 0.709 20 0 CCADLP OCC1(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)COC1 ZINC000535576379 390145831 /nfs/dbraw/zinc/14/58/31/390145831.db2.gz PYLGCQIDHVKKII-UHFFFAOYSA-N 2 2 277.368 0.967 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000647845761 390190958 /nfs/dbraw/zinc/19/09/58/390190958.db2.gz JRGMUQBDIAPXJS-RYUDHWBXSA-N 2 2 274.430 0.870 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000647845761 390190960 /nfs/dbraw/zinc/19/09/60/390190960.db2.gz JRGMUQBDIAPXJS-RYUDHWBXSA-N 2 2 274.430 0.870 20 0 CCADLP NC(=O)C[NH+]1CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000647873257 390201738 /nfs/dbraw/zinc/20/17/38/390201738.db2.gz WAVJDKHIBWUBGO-UHFFFAOYSA-N 2 2 259.313 0.170 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CS(=O)(=O)CCO2)[C@@H](C)C1 ZINC000539066814 390201976 /nfs/dbraw/zinc/20/19/76/390201976.db2.gz QUMOZGDGFFAMSJ-XQQFMLRXSA-N 2 2 290.429 0.120 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CS(=O)(=O)CCO2)[C@@H](C)C1 ZINC000539066814 390201979 /nfs/dbraw/zinc/20/19/79/390201979.db2.gz QUMOZGDGFFAMSJ-XQQFMLRXSA-N 2 2 290.429 0.120 20 0 CCADLP Cc1nc([C@H]2CCCC[N@@H+]2CCN2CC[NH2+]CC2)no1 ZINC000647882007 390206640 /nfs/dbraw/zinc/20/66/40/390206640.db2.gz ATLKYPQXTVTQNO-CYBMUJFWSA-N 2 2 279.388 0.810 20 0 CCADLP Cc1nc([C@H]2CCCC[N@H+]2CCN2CC[NH2+]CC2)no1 ZINC000647882007 390206641 /nfs/dbraw/zinc/20/66/41/390206641.db2.gz ATLKYPQXTVTQNO-CYBMUJFWSA-N 2 2 279.388 0.810 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ncnn3CCF)C[C@@H]21 ZINC000647907634 390213822 /nfs/dbraw/zinc/21/38/22/390213822.db2.gz OKWATUFJCUMRIR-GRYCIOLGSA-N 2 2 267.352 0.807 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ncnn3CCF)C[C@@H]21 ZINC000647907634 390213824 /nfs/dbraw/zinc/21/38/24/390213824.db2.gz OKWATUFJCUMRIR-GRYCIOLGSA-N 2 2 267.352 0.807 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647926418 390219177 /nfs/dbraw/zinc/21/91/77/390219177.db2.gz CTGXVGXOQXOBET-NEPJUHHUSA-N 2 2 269.389 0.483 20 0 CCADLP CCN1CC[N@H+](CCn2cc[nH+]c2C)[C@H](C)C1=O ZINC000495193253 390223537 /nfs/dbraw/zinc/22/35/37/390223537.db2.gz MDPPMUZSVMDLEW-LLVKDONJSA-N 2 2 250.346 0.744 20 0 CCADLP CCN1CC[N@@H+](CCn2cc[nH+]c2C)[C@H](C)C1=O ZINC000495193253 390223538 /nfs/dbraw/zinc/22/35/38/390223538.db2.gz MDPPMUZSVMDLEW-LLVKDONJSA-N 2 2 250.346 0.744 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)n1 ZINC000647949418 390225340 /nfs/dbraw/zinc/22/53/40/390225340.db2.gz TTXYYNUEKDIARO-SNVBAGLBSA-N 3 2 267.377 0.824 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@H](CC[NH3+])C2)n1 ZINC000647949418 390225344 /nfs/dbraw/zinc/22/53/44/390225344.db2.gz TTXYYNUEKDIARO-SNVBAGLBSA-N 3 2 267.377 0.824 20 0 CCADLP Cc1cc(CO)cc(NCC[N@@H+]2CCOC(C)(C)C2)[nH+]1 ZINC000647865128 390197701 /nfs/dbraw/zinc/19/77/01/390197701.db2.gz ZTFAIBPZCLNXRR-UHFFFAOYSA-N 2 2 279.384 0.827 20 0 CCADLP Cc1cc(CO)cc(NCC[N@H+]2CCOC(C)(C)C2)[nH+]1 ZINC000647865128 390197706 /nfs/dbraw/zinc/19/77/06/390197706.db2.gz ZTFAIBPZCLNXRR-UHFFFAOYSA-N 2 2 279.384 0.827 20 0 CCADLP Cc1cc(CO)cc(N(C)CC[NH+]2CCOCC2)[nH+]1 ZINC000647866537 390198569 /nfs/dbraw/zinc/19/85/69/390198569.db2.gz ZJVZIGARIVWLGG-UHFFFAOYSA-N 2 2 265.357 0.651 20 0 CCADLP COC[C@@H](O)C[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000644518338 390243174 /nfs/dbraw/zinc/24/31/74/390243174.db2.gz LUTJJBXTWKDQCV-LBPRGKRZSA-N 2 2 253.346 0.359 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000580317244 390237747 /nfs/dbraw/zinc/23/77/47/390237747.db2.gz RGRZRHRYUUNUAM-AAEUAGOBSA-N 2 2 272.352 0.782 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC000281678964 195333222 /nfs/dbraw/zinc/33/32/22/195333222.db2.gz UJURGISAQIUIQN-NEPJUHHUSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC000281678964 195333226 /nfs/dbraw/zinc/33/32/26/195333226.db2.gz UJURGISAQIUIQN-NEPJUHHUSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000281678964 195333229 /nfs/dbraw/zinc/33/32/29/195333229.db2.gz UJURGISAQIUIQN-NEPJUHHUSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000281678964 195333231 /nfs/dbraw/zinc/33/32/31/195333231.db2.gz UJURGISAQIUIQN-NEPJUHHUSA-N 2 2 280.372 0.256 20 0 CCADLP CC[N@@H+]1CCN(C(=O)C[NH+]2CC(C)(C)C2)[C@H](C)C1 ZINC000580215384 390230910 /nfs/dbraw/zinc/23/09/10/390230910.db2.gz WGTYTGMPFHHPIP-GFCCVEGCSA-N 2 2 253.390 0.881 20 0 CCADLP CC[N@H+]1CCN(C(=O)C[NH+]2CC(C)(C)C2)[C@H](C)C1 ZINC000580215384 390230917 /nfs/dbraw/zinc/23/09/17/390230917.db2.gz WGTYTGMPFHHPIP-GFCCVEGCSA-N 2 2 253.390 0.881 20 0 CCADLP CCC[N@@H+]1CC[C@@H](CNc2nc[nH+]c(N)c2OC)C1 ZINC000583509895 390289427 /nfs/dbraw/zinc/28/94/27/390289427.db2.gz ADTAUOFAPZVRSS-JTQLQIEISA-N 2 2 265.361 0.633 20 0 CCADLP CCC[N@H+]1CC[C@@H](CNc2nc[nH+]c(N)c2OC)C1 ZINC000583509895 390289431 /nfs/dbraw/zinc/28/94/31/390289431.db2.gz ADTAUOFAPZVRSS-JTQLQIEISA-N 2 2 265.361 0.633 20 0 CCADLP CCC[N@@H+]1CC[C@@H](CNc2[nH+]cnc(N)c2OC)C1 ZINC000583509895 390289435 /nfs/dbraw/zinc/28/94/35/390289435.db2.gz ADTAUOFAPZVRSS-JTQLQIEISA-N 2 2 265.361 0.633 20 0 CCADLP CCC[N@H+]1CC[C@@H](CNc2[nH+]cnc(N)c2OC)C1 ZINC000583509895 390289438 /nfs/dbraw/zinc/28/94/38/390289438.db2.gz ADTAUOFAPZVRSS-JTQLQIEISA-N 2 2 265.361 0.633 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000644547667 390250558 /nfs/dbraw/zinc/25/05/58/390250558.db2.gz GBFFGGZSKVWFTP-YNEHKIRRSA-N 2 2 260.378 0.083 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000644547667 390250562 /nfs/dbraw/zinc/25/05/62/390250562.db2.gz GBFFGGZSKVWFTP-YNEHKIRRSA-N 2 2 260.378 0.083 20 0 CCADLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)Cn1cccn1 ZINC000644569363 390254798 /nfs/dbraw/zinc/25/47/98/390254798.db2.gz MCHKPYYMAGPYKB-KBPBESRZSA-N 2 2 266.389 0.708 20 0 CCADLP C[C@@H](C[NH2+]C[C@@](C)(O)C(F)(F)F)C[NH+]1CCOCC1 ZINC000582057707 390255058 /nfs/dbraw/zinc/25/50/58/390255058.db2.gz BAWRLRQTZLMNQO-WDEREUQCSA-N 2 2 284.322 0.858 20 0 CCADLP COc1ncncc1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000648035278 390257529 /nfs/dbraw/zinc/25/75/29/390257529.db2.gz ZFMAZMYIUPGKCK-UHFFFAOYSA-N 2 2 293.415 0.555 20 0 CCADLP COc1ncncc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000648035278 390257533 /nfs/dbraw/zinc/25/75/33/390257533.db2.gz ZFMAZMYIUPGKCK-UHFFFAOYSA-N 2 2 293.415 0.555 20 0 CCADLP CCO[C@@H]1C[C@@]([NH3+])(c2nc(C[NH2+]C)no2)C1(C)C ZINC000582121561 390261897 /nfs/dbraw/zinc/26/18/97/390261897.db2.gz USEVMENLFHCBMK-PRHODGIISA-N 2 2 254.334 0.778 20 0 CCADLP C[C@H](C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)[NH+]1CC(C)C1 ZINC000582131329 390263448 /nfs/dbraw/zinc/26/34/48/390263448.db2.gz DVWLSQQZZSGTBH-FRRDWIJNSA-N 2 2 253.390 0.878 20 0 CCADLP C[C@H](C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)[NH+]1CC(C)C1 ZINC000582131329 390263451 /nfs/dbraw/zinc/26/34/51/390263451.db2.gz DVWLSQQZZSGTBH-FRRDWIJNSA-N 2 2 253.390 0.878 20 0 CCADLP CCC[C@H](C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)OC ZINC000583495543 390287462 /nfs/dbraw/zinc/28/74/62/390287462.db2.gz KFQSSFKXUYKWDV-LJISPDSOSA-N 2 2 288.432 0.861 20 0 CCADLP CCC[C@H](C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)OC ZINC000583495543 390287467 /nfs/dbraw/zinc/28/74/67/390287467.db2.gz KFQSSFKXUYKWDV-LJISPDSOSA-N 2 2 288.432 0.861 20 0 CCADLP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[NH+](Cc2ccncc2)CC1 ZINC000648149176 390312687 /nfs/dbraw/zinc/31/26/87/390312687.db2.gz UWNOMSWFJGCQPN-FICVDOATSA-N 2 2 286.379 0.191 20 0 CCADLP CCOC(=O)N[C@@H]1CCC[N@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000496166376 390313371 /nfs/dbraw/zinc/31/33/71/390313371.db2.gz CLIOGWKVWJAWIW-DGCLKSJQSA-N 2 2 273.377 0.167 20 0 CCADLP CCOC(=O)N[C@@H]1CCC[N@@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000496166376 390313373 /nfs/dbraw/zinc/31/33/73/390313373.db2.gz CLIOGWKVWJAWIW-DGCLKSJQSA-N 2 2 273.377 0.167 20 0 CCADLP Cc1nn2c(C[NH2+]C[C@]3(O)CC[N@@H+](C)C3)c(C)nc2s1 ZINC000546563470 390350527 /nfs/dbraw/zinc/35/05/27/390350527.db2.gz BSDBWLQOIRGTNR-CYBMUJFWSA-N 2 2 295.412 0.564 20 0 CCADLP Cc1nn2c(C[NH2+]C[C@]3(O)CC[N@H+](C)C3)c(C)nc2s1 ZINC000546563470 390350528 /nfs/dbraw/zinc/35/05/28/390350528.db2.gz BSDBWLQOIRGTNR-CYBMUJFWSA-N 2 2 295.412 0.564 20 0 CCADLP CN(C[C@H](O)C[NH2+]CCn1cc[nH+]c1)C(=O)OC(C)(C)C ZINC000496776585 390362468 /nfs/dbraw/zinc/36/24/68/390362468.db2.gz PASJUJFMIPNHQF-GFCCVEGCSA-N 2 2 298.387 0.701 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000547868052 390406857 /nfs/dbraw/zinc/40/68/57/390406857.db2.gz VFUABSQOEGQXAI-LLVKDONJSA-N 2 2 250.346 0.421 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000547868052 390406860 /nfs/dbraw/zinc/40/68/60/390406860.db2.gz VFUABSQOEGQXAI-LLVKDONJSA-N 2 2 250.346 0.421 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCc2c[nH+]c(N(C)C)n2C)CC[N@@H+]1C ZINC000648781034 390407772 /nfs/dbraw/zinc/40/77/72/390407772.db2.gz NYOVDPDNNLDCFO-ZYHUDNBSSA-N 2 2 279.388 0.443 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCc2c[nH+]c(N(C)C)n2C)CC[N@H+]1C ZINC000648781034 390407774 /nfs/dbraw/zinc/40/77/74/390407774.db2.gz NYOVDPDNNLDCFO-ZYHUDNBSSA-N 2 2 279.388 0.443 20 0 CCADLP CC[N@H+](CCNC(=O)N[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000547955482 390410836 /nfs/dbraw/zinc/41/08/36/390410836.db2.gz FLWKXHVUYVXXJT-LBPRGKRZSA-N 2 2 291.399 0.981 20 0 CCADLP CC[N@@H+](CCNC(=O)N[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000547955482 390410839 /nfs/dbraw/zinc/41/08/39/390410839.db2.gz FLWKXHVUYVXXJT-LBPRGKRZSA-N 2 2 291.399 0.981 20 0 CCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@]1(C)CCCO1 ZINC000645398985 390419867 /nfs/dbraw/zinc/41/98/67/390419867.db2.gz VDHDIAZHGKKPCC-OCCSQVGLSA-N 2 2 269.389 0.308 20 0 CCADLP CN(C)c1ccc(CNC(=O)CC(C)(C)[NH3+])c[nH+]1 ZINC000645430749 390426557 /nfs/dbraw/zinc/42/65/57/390426557.db2.gz DEHPHHFCLZVOCV-UHFFFAOYSA-N 2 2 250.346 0.891 20 0 CCADLP C[C@@H]1CCC[N@H+](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC000547539651 390382399 /nfs/dbraw/zinc/38/23/99/390382399.db2.gz DXAVVZXUHPSLHM-GFCCVEGCSA-N 2 2 264.373 0.811 20 0 CCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC000547539651 390382400 /nfs/dbraw/zinc/38/24/00/390382400.db2.gz DXAVVZXUHPSLHM-GFCCVEGCSA-N 2 2 264.373 0.811 20 0 CCADLP CN1C[C@H](C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)OC1=O ZINC000496906826 390382718 /nfs/dbraw/zinc/38/27/18/390382718.db2.gz HLNWMCXMOBAOIQ-UONOGXRCSA-N 2 2 297.399 0.481 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000547605337 390386349 /nfs/dbraw/zinc/38/63/49/390386349.db2.gz JRYXDNRSWTVBRI-ZDUSSCGKSA-N 2 2 292.383 0.286 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC000645776001 390492608 /nfs/dbraw/zinc/49/26/08/390492608.db2.gz UTQXHSDKQBKKRX-AWEZNQCLSA-N 2 2 283.416 0.509 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC000565372656 390507733 /nfs/dbraw/zinc/50/77/33/390507733.db2.gz XTCHUPCDJUKOBZ-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC000565372656 390507738 /nfs/dbraw/zinc/50/77/38/390507738.db2.gz XTCHUPCDJUKOBZ-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000565372656 390507743 /nfs/dbraw/zinc/50/77/43/390507743.db2.gz XTCHUPCDJUKOBZ-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC000565372656 390507746 /nfs/dbraw/zinc/50/77/46/390507746.db2.gz XTCHUPCDJUKOBZ-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCC(=O)Nc1ccccn1 ZINC000643469679 390450777 /nfs/dbraw/zinc/45/07/77/390450777.db2.gz ZSHNSLNFRBZPIB-NWDGAFQWSA-N 2 2 262.357 0.998 20 0 CCADLP COCC[N@H+](C)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000497317454 390455862 /nfs/dbraw/zinc/45/58/62/390455862.db2.gz ZAZXITKPHRWJMA-CQSZACIVSA-N 2 2 283.372 0.439 20 0 CCADLP COCC[N@@H+](C)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000497317454 390455863 /nfs/dbraw/zinc/45/58/63/390455863.db2.gz ZAZXITKPHRWJMA-CQSZACIVSA-N 2 2 283.372 0.439 20 0 CCADLP CC[N@@H+]1CCCN(CCC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000643611493 390467655 /nfs/dbraw/zinc/46/76/55/390467655.db2.gz UODMIIJZHUWKQS-OAHLLOKOSA-N 2 2 296.459 0.567 20 0 CCADLP CC[N@H+]1CCCN(CCC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000643611493 390467661 /nfs/dbraw/zinc/46/76/61/390467661.db2.gz UODMIIJZHUWKQS-OAHLLOKOSA-N 2 2 296.459 0.567 20 0 CCADLP CCN1CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000643611493 390467663 /nfs/dbraw/zinc/46/76/63/390467663.db2.gz UODMIIJZHUWKQS-OAHLLOKOSA-N 2 2 296.459 0.567 20 0 CCADLP CCN1CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000643611493 390467668 /nfs/dbraw/zinc/46/76/68/390467668.db2.gz UODMIIJZHUWKQS-OAHLLOKOSA-N 2 2 296.459 0.567 20 0 CCADLP CC(C)[NH2+]CCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000515634075 390476316 /nfs/dbraw/zinc/47/63/16/390476316.db2.gz MKBYYYAHGYMEFM-UONOGXRCSA-N 3 2 255.406 0.731 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000516634254 390483401 /nfs/dbraw/zinc/48/34/01/390483401.db2.gz LWPGXKKCRWDEQE-MELADBBJSA-N 2 2 296.415 0.243 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000516634254 390483404 /nfs/dbraw/zinc/48/34/04/390483404.db2.gz LWPGXKKCRWDEQE-MELADBBJSA-N 2 2 296.415 0.243 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2C[C@H]2C2CCC2)[C@@H](C[NH3+])C1 ZINC000566104214 390578739 /nfs/dbraw/zinc/57/87/39/390578739.db2.gz HPRASHKQVNLTJI-IHRRRGAJSA-N 2 2 280.416 0.707 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@@H]2C[C@H]2C2CCC2)[C@@H](C[NH3+])C1 ZINC000566104214 390578741 /nfs/dbraw/zinc/57/87/41/390578741.db2.gz HPRASHKQVNLTJI-IHRRRGAJSA-N 2 2 280.416 0.707 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)C[C@H](C)O1 ZINC000566123984 390582054 /nfs/dbraw/zinc/58/20/54/390582054.db2.gz FWCRVFJUMVFNJL-QLKXBERHSA-N 2 2 268.401 0.845 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)C[C@H](C)O1 ZINC000566123984 390582057 /nfs/dbraw/zinc/58/20/57/390582057.db2.gz FWCRVFJUMVFNJL-QLKXBERHSA-N 2 2 268.401 0.845 20 0 CCADLP Cc1[nH+]c2n(c1C)CCN(C(=O)[C@@H]1CC[NH2+][C@@H]1C)C2 ZINC000646043853 390582169 /nfs/dbraw/zinc/58/21/69/390582169.db2.gz LCZGALGCJDESSG-ZYHUDNBSSA-N 2 2 262.357 0.840 20 0 CCADLP CN(C)c1ncc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)n1C ZINC000566137948 390584679 /nfs/dbraw/zinc/58/46/79/390584679.db2.gz ZRRHHHBQGGGLQK-SNVBAGLBSA-N 2 2 274.372 0.856 20 0 CCADLP CCOC[C@H](O)C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000519637218 390521018 /nfs/dbraw/zinc/52/10/18/390521018.db2.gz OLIKAWNOMGGBJP-GFCCVEGCSA-N 2 2 253.346 0.706 20 0 CCADLP C[C@@H](c1nnnn1C1CC1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000519653962 390525142 /nfs/dbraw/zinc/52/51/42/390525142.db2.gz MWOPIHILSYSYRQ-KXUCPTDWSA-N 2 2 250.350 0.738 20 0 CCADLP C[C@@H](c1nnnn1C1CC1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000519653962 390525147 /nfs/dbraw/zinc/52/51/47/390525147.db2.gz MWOPIHILSYSYRQ-KXUCPTDWSA-N 2 2 250.350 0.738 20 0 CCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000645944346 390542268 /nfs/dbraw/zinc/54/22/68/390542268.db2.gz JYGSQODZXRNKOB-JSGCOSHPSA-N 2 2 291.399 0.062 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CC(C)C2)CC[N@@H+]1C[C@H](C)O ZINC000565784154 390545571 /nfs/dbraw/zinc/54/55/71/390545571.db2.gz PKGZCBUPWUOCAP-RRFJBIMHSA-N 2 2 297.443 0.630 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CC(C)C2)CC[N@H+]1C[C@H](C)O ZINC000565784154 390545578 /nfs/dbraw/zinc/54/55/78/390545578.db2.gz PKGZCBUPWUOCAP-RRFJBIMHSA-N 2 2 297.443 0.630 20 0 CCADLP CC1(OCC(=O)NCCc2cn3ccccc3[nH+]2)C[NH2+]C1 ZINC000649284539 390549751 /nfs/dbraw/zinc/54/97/51/390549751.db2.gz FYFMVYNBIRFPFM-UHFFFAOYSA-N 2 2 288.351 0.372 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000645978108 390557516 /nfs/dbraw/zinc/55/75/16/390557516.db2.gz ROPBQOOJSRPXSG-UONOGXRCSA-N 3 2 294.443 0.271 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000645978108 390557520 /nfs/dbraw/zinc/55/75/20/390557520.db2.gz ROPBQOOJSRPXSG-UONOGXRCSA-N 3 2 294.443 0.271 20 0 CCADLP C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000520231116 390561161 /nfs/dbraw/zinc/56/11/61/390561161.db2.gz CZTKZCFCXXPEDZ-HBNTYKKESA-N 2 2 293.419 0.470 20 0 CCADLP C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000520231116 390561166 /nfs/dbraw/zinc/56/11/66/390561166.db2.gz CZTKZCFCXXPEDZ-HBNTYKKESA-N 2 2 293.419 0.470 20 0 CCADLP CN(C)C(=O)C[C@]1(O)CCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000643812798 390566805 /nfs/dbraw/zinc/56/68/05/390566805.db2.gz UGQQFGFRSWTASS-OAHLLOKOSA-N 2 2 294.399 0.268 20 0 CCADLP CN(C)C(=O)C[C@]1(O)CCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000643812798 390566807 /nfs/dbraw/zinc/56/68/07/390566807.db2.gz UGQQFGFRSWTASS-OAHLLOKOSA-N 2 2 294.399 0.268 20 0 CCADLP C[C@@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)C1CC[NH+](C)CC1 ZINC000649314915 390573479 /nfs/dbraw/zinc/57/34/79/390573479.db2.gz WRLTZRLFJRICSP-MWLCHTKSSA-N 2 2 275.343 0.830 20 0 CCADLP CC1(C)C[NH2+][C@H]1C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000649319742 390576939 /nfs/dbraw/zinc/57/69/39/390576939.db2.gz VNXYKMZJMKLHFS-KBPBESRZSA-N 2 2 295.427 0.698 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3cnc(C4CC4)s3)CCN2C1=O ZINC000566491704 390622702 /nfs/dbraw/zinc/62/27/02/390622702.db2.gz WTUFYOIDVKOFEP-ZYHUDNBSSA-N 2 2 292.408 0.764 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3cnc(C4CC4)s3)CCN2C1=O ZINC000566491704 390622706 /nfs/dbraw/zinc/62/27/06/390622706.db2.gz WTUFYOIDVKOFEP-ZYHUDNBSSA-N 2 2 292.408 0.764 20 0 CCADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000646215805 390637481 /nfs/dbraw/zinc/63/74/81/390637481.db2.gz FEMHMBWMTULFMD-LPWJVIDDSA-N 2 2 284.404 0.275 20 0 CCADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000646215805 390637483 /nfs/dbraw/zinc/63/74/83/390637483.db2.gz FEMHMBWMTULFMD-LPWJVIDDSA-N 2 2 284.404 0.275 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@H]2CCCSC2)[C@@H](C[NH3+])C1 ZINC000566727934 390641493 /nfs/dbraw/zinc/64/14/93/390641493.db2.gz XLMVMBKXCAZQHT-NEPJUHHUSA-N 2 2 286.445 0.414 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@H]2CCCSC2)[C@@H](C[NH3+])C1 ZINC000566727934 390641497 /nfs/dbraw/zinc/64/14/97/390641497.db2.gz XLMVMBKXCAZQHT-NEPJUHHUSA-N 2 2 286.445 0.414 20 0 CCADLP Cc1ccc(OCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000566797277 390648696 /nfs/dbraw/zinc/64/86/96/390648696.db2.gz IIAOAQUNQLCGRC-CYBMUJFWSA-N 2 2 277.368 0.475 20 0 CCADLP Cc1ccc(OCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000566797277 390648697 /nfs/dbraw/zinc/64/86/97/390648697.db2.gz IIAOAQUNQLCGRC-CYBMUJFWSA-N 2 2 277.368 0.475 20 0 CCADLP FC(F)Cn1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000646105024 390598844 /nfs/dbraw/zinc/59/88/44/390598844.db2.gz FOJOAHJPGZUCKT-PHIMTYICSA-N 2 2 256.300 0.799 20 0 CCADLP FC(F)Cn1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000646105024 390598852 /nfs/dbraw/zinc/59/88/52/390598852.db2.gz FOJOAHJPGZUCKT-PHIMTYICSA-N 2 2 256.300 0.799 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCOC2(CCOCC2)CC1 ZINC000566416445 390598888 /nfs/dbraw/zinc/59/88/88/390598888.db2.gz POIACDCJDUEEQK-AWEZNQCLSA-N 2 2 286.416 0.571 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCOC2(CCOCC2)CC1 ZINC000566416445 390598891 /nfs/dbraw/zinc/59/88/91/390598891.db2.gz POIACDCJDUEEQK-AWEZNQCLSA-N 2 2 286.416 0.571 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000566416445 390598895 /nfs/dbraw/zinc/59/88/95/390598895.db2.gz POIACDCJDUEEQK-AWEZNQCLSA-N 2 2 286.416 0.571 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000566416445 390598898 /nfs/dbraw/zinc/59/88/98/390598898.db2.gz POIACDCJDUEEQK-AWEZNQCLSA-N 2 2 286.416 0.571 20 0 CCADLP O=C1COc2ccc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)cc2N1 ZINC000646104984 390599064 /nfs/dbraw/zinc/59/90/64/390599064.db2.gz CAFWWSXJBOCSMM-RYUDHWBXSA-N 2 2 273.336 0.669 20 0 CCADLP C[C@@H](C[NH2+]CCCNc1cccc[nH+]1)S(C)(=O)=O ZINC000521612138 390611792 /nfs/dbraw/zinc/61/17/92/390611792.db2.gz JSFIHWRPEUGNKJ-NSHDSACASA-N 2 2 271.386 0.906 20 0 CCADLP Cn1cc([C@@H]2CN(Cc3c[nH+]c4ccccn34)C[C@H]2[NH3+])cn1 ZINC000643973938 390612232 /nfs/dbraw/zinc/61/22/32/390612232.db2.gz XGHLSQDUJDKDNI-LSDHHAIUSA-N 2 2 296.378 0.995 20 0 CCADLP CN(CC1([NH+](C)C)CCC1)C(=O)Cc1c[nH+]cn1C ZINC000527363616 390703773 /nfs/dbraw/zinc/70/37/73/390703773.db2.gz VRPQRXUKOXIZLG-UHFFFAOYSA-N 2 2 264.373 0.905 20 0 CCADLP NC(=O)C1(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CCCC1 ZINC000567641625 390708636 /nfs/dbraw/zinc/70/86/36/390708636.db2.gz WYUYIHXKMPCBOY-OLZOCXBDSA-N 2 2 281.400 0.389 20 0 CCADLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)C[C@@H](C)[NH2+]1 ZINC000646736979 390714865 /nfs/dbraw/zinc/71/48/65/390714865.db2.gz HSYRAEPSUATJSP-GHMZBOCLSA-N 2 2 286.339 0.485 20 0 CCADLP O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CCn2cc[nH+]c2C1 ZINC000527595921 390717228 /nfs/dbraw/zinc/71/72/28/390717228.db2.gz XQETZFPQHMLTLW-NWDGAFQWSA-N 2 2 274.368 0.846 20 0 CCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000527595376 390717328 /nfs/dbraw/zinc/71/73/28/390717328.db2.gz TUDDLTPLDSJINK-CHWSQXEVSA-N 2 2 276.384 0.902 20 0 CCADLP CN1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C[NH3+])C1 ZINC000646835563 390726248 /nfs/dbraw/zinc/72/62/48/390726248.db2.gz HWWWVLJJVSEQLN-OAHLLOKOSA-N 2 2 299.378 0.587 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)CCO1 ZINC000646851186 390729999 /nfs/dbraw/zinc/72/99/99/390729999.db2.gz PZDNXSIRIJCOOY-JQWIXIFHSA-N 2 2 274.324 0.523 20 0 CCADLP C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)CCc1c[nH+]cn1C ZINC000646472078 390687183 /nfs/dbraw/zinc/68/71/83/390687183.db2.gz ARSLTUJHMWCXKA-AAEUAGOBSA-N 2 2 264.373 0.904 20 0 CCADLP [NH3+]Cc1nnc(-c2ccc(NC(=O)[C@H]3CCC[NH2+]3)cc2)[nH]1 ZINC000567351009 390694144 /nfs/dbraw/zinc/69/41/44/390694144.db2.gz NBKMHXULTVFHSH-LLVKDONJSA-N 2 2 286.339 0.621 20 0 CCADLP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2nnnn2CC2CC2)C1 ZINC000567406771 390697981 /nfs/dbraw/zinc/69/79/81/390697981.db2.gz RSWCBBLOTDKOFC-WDEREUQCSA-N 2 2 250.350 0.443 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCN1C(=O)NC2(CCCC2)C1=O ZINC000571753020 390750917 /nfs/dbraw/zinc/75/09/17/390750917.db2.gz KFSGZGAPDGJNII-RYUDHWBXSA-N 2 2 294.399 0.439 20 0 CCADLP CCC[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000572824793 390805139 /nfs/dbraw/zinc/80/51/39/390805139.db2.gz WRUAFJMALIZXCX-AWEZNQCLSA-N 3 2 297.447 0.145 20 0 CCADLP CCC[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000572824793 390805140 /nfs/dbraw/zinc/80/51/40/390805140.db2.gz WRUAFJMALIZXCX-AWEZNQCLSA-N 3 2 297.447 0.145 20 0 CCADLP C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC(F)F)CC2)C1 ZINC000571789542 390753344 /nfs/dbraw/zinc/75/33/44/390753344.db2.gz CNWRQUKAZZFNEW-NSHDSACASA-N 2 2 275.343 0.784 20 0 CCADLP CO[C@H](C)CC[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000571875413 390757049 /nfs/dbraw/zinc/75/70/49/390757049.db2.gz ORALESRRDAZIRB-MQYQWHSLSA-N 2 2 274.405 0.471 20 0 CCADLP CO[C@H](C)CC[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000571875413 390757051 /nfs/dbraw/zinc/75/70/51/390757051.db2.gz ORALESRRDAZIRB-MQYQWHSLSA-N 2 2 274.405 0.471 20 0 CCADLP O=C(NC[C@H]1COCC[NH2+]1)Nc1ccn2cc[nH+]c2c1 ZINC000528686791 390768354 /nfs/dbraw/zinc/76/83/54/390768354.db2.gz DAWSQPNLDPCPKJ-NSHDSACASA-N 2 2 275.312 0.444 20 0 CCADLP COC(C[NH+]1CCC(C)([NH+]2CCOCC2)CC1)OC ZINC000528726368 390771854 /nfs/dbraw/zinc/77/18/54/390771854.db2.gz IBQREOWTFCDTMP-UHFFFAOYSA-N 2 2 272.389 0.792 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000572235368 390773712 /nfs/dbraw/zinc/77/37/12/390773712.db2.gz QEXIVNZVBOPLJG-WEDXCCLWSA-N 2 2 254.359 0.257 20 0 CCADLP NS(=O)(=O)c1ccc(C[NH2+]CCn2cc[nH+]c2)c(F)c1 ZINC000647167603 390781536 /nfs/dbraw/zinc/78/15/36/390781536.db2.gz MCMXTIGBOVCEQY-UHFFFAOYSA-N 2 2 298.343 0.459 20 0 CCADLP COC1(C(=O)Nc2ccc(N)[nH+]c2)CC[NH2+]CC1 ZINC000572404463 390781882 /nfs/dbraw/zinc/78/18/82/390781882.db2.gz LJCUWUUBAOMZFL-UHFFFAOYSA-N 2 2 250.302 0.201 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)CO1 ZINC000647200363 390786946 /nfs/dbraw/zinc/78/69/46/390786946.db2.gz AKJKSEQGBGJAJM-AGIUHOORSA-N 2 2 292.383 0.678 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](OC(F)F)C2)CC1 ZINC000571421087 390734859 /nfs/dbraw/zinc/73/48/59/390734859.db2.gz OUYODFCETMLJBC-JTQLQIEISA-N 2 2 277.315 0.074 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](OC(F)F)C2)CC1 ZINC000571421087 390734860 /nfs/dbraw/zinc/73/48/60/390734860.db2.gz OUYODFCETMLJBC-JTQLQIEISA-N 2 2 277.315 0.074 20 0 CCADLP CCc1[nH+]c2ccccc2n1CC(=O)NCC1C[NH2+]C1 ZINC000646902504 390736586 /nfs/dbraw/zinc/73/65/86/390736586.db2.gz LLTUXZPLLKMGCN-UHFFFAOYSA-N 2 2 272.352 0.934 20 0 CCADLP C[NH2+]CCN(C)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000646914054 390738977 /nfs/dbraw/zinc/73/89/77/390738977.db2.gz SNRNXWGKWBZIDB-UHFFFAOYSA-N 2 2 293.415 0.310 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000578404666 390881667 /nfs/dbraw/zinc/88/16/67/390881667.db2.gz ZFORMCWNCSEEAT-KKUMJFAQSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000578404666 390881669 /nfs/dbraw/zinc/88/16/69/390881669.db2.gz ZFORMCWNCSEEAT-KKUMJFAQSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000578404666 390881671 /nfs/dbraw/zinc/88/16/71/390881671.db2.gz ZFORMCWNCSEEAT-KKUMJFAQSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000578404666 390881674 /nfs/dbraw/zinc/88/16/74/390881674.db2.gz ZFORMCWNCSEEAT-KKUMJFAQSA-N 2 2 288.432 0.408 20 0 CCADLP Cn1cc[nH+]c1[C@@H](NC(=O)NC[C@H]1COCC[NH2+]1)C1CC1 ZINC000529330715 390810342 /nfs/dbraw/zinc/81/03/42/390810342.db2.gz OPMOAGLFVWOFAJ-RYUDHWBXSA-N 2 2 293.371 0.159 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C12CCC2)N1CCn2c[nH+]cc2C1 ZINC000529352214 390816680 /nfs/dbraw/zinc/81/66/80/390816680.db2.gz QMYKHIMKILCWBQ-LBPRGKRZSA-N 2 2 275.356 0.693 20 0 CCADLP CC[NH+]1CCC(NC[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000574911850 390823488 /nfs/dbraw/zinc/82/34/88/390823488.db2.gz GMJAFBLLJLGORQ-IJEWVQPXSA-N 2 2 299.459 0.530 20 0 CCADLP CC[NH+]1CCC(NC[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000574911850 390823490 /nfs/dbraw/zinc/82/34/90/390823490.db2.gz GMJAFBLLJLGORQ-IJEWVQPXSA-N 2 2 299.459 0.530 20 0 CCADLP Cc1cc(C[N@H+](C)CCN2CC[NH2+]CC2)nn1C ZINC000647492757 390824058 /nfs/dbraw/zinc/82/40/58/390824058.db2.gz XHKWNQNUFDJFDP-UHFFFAOYSA-N 2 2 251.378 0.066 20 0 CCADLP Cc1cc(C[N@@H+](C)CCN2CC[NH2+]CC2)nn1C ZINC000647492757 390824061 /nfs/dbraw/zinc/82/40/61/390824061.db2.gz XHKWNQNUFDJFDP-UHFFFAOYSA-N 2 2 251.378 0.066 20 0 CCADLP COCc1cnc(C[N@H+](C)CCN2CC[NH2+]CC2)s1 ZINC000647493047 390824246 /nfs/dbraw/zinc/82/42/46/390824246.db2.gz QYWWZMSSCVXNGG-UHFFFAOYSA-N 2 2 284.429 0.627 20 0 CCADLP COCc1cnc(C[N@@H+](C)CCN2CC[NH2+]CC2)s1 ZINC000647493047 390824249 /nfs/dbraw/zinc/82/42/49/390824249.db2.gz QYWWZMSSCVXNGG-UHFFFAOYSA-N 2 2 284.429 0.627 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CN(Cc2c[nH+]c3ccccn23)CCO1 ZINC000647508048 390826282 /nfs/dbraw/zinc/82/62/82/390826282.db2.gz FTDGJOIZUOZVCE-DGCLKSJQSA-N 2 2 260.341 0.882 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CN(Cc2[nH+]ccn2CC(F)(F)F)CCO1 ZINC000647507540 390826329 /nfs/dbraw/zinc/82/63/29/390826329.db2.gz RKGOVEWRLNHWQP-NXEZZACHSA-N 2 2 292.305 0.993 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H](O)Cc1ccccc1)C1CC1 ZINC000647522270 390830448 /nfs/dbraw/zinc/83/04/48/390830448.db2.gz NNJMUHJYKGJBIV-HOTGVXAUSA-N 2 2 278.396 0.635 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H](O)Cc1ccccc1)C1CC1 ZINC000647522270 390830451 /nfs/dbraw/zinc/83/04/51/390830451.db2.gz NNJMUHJYKGJBIV-HOTGVXAUSA-N 2 2 278.396 0.635 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC000533865725 390886758 /nfs/dbraw/zinc/88/67/58/390886758.db2.gz YFJKBFHBTATQDT-GFCCVEGCSA-N 2 2 262.357 0.832 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000533865725 390886760 /nfs/dbraw/zinc/88/67/60/390886760.db2.gz YFJKBFHBTATQDT-GFCCVEGCSA-N 2 2 262.357 0.832 20 0 CCADLP C[NH+](C)C1CC[NH+](C[C@@H](O)CC2(O)CCC2)CC1 ZINC000528351505 285397134 /nfs/dbraw/zinc/39/71/34/285397134.db2.gz PRCLNJSCDCIZHG-ZDUSSCGKSA-N 2 2 256.390 0.678 20 0 CCADLP CO[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)CC1(C)C ZINC000451548874 533410414 /nfs/dbraw/zinc/41/04/14/533410414.db2.gz GHIAEQSBWABIEK-CYBMUJFWSA-N 2 2 283.416 0.507 20 0 CCADLP CO[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)CC1(C)C ZINC000451548874 533410423 /nfs/dbraw/zinc/41/04/23/533410423.db2.gz GHIAEQSBWABIEK-CYBMUJFWSA-N 2 2 283.416 0.507 20 0 CCADLP COC(=O)COC[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000449129816 533551779 /nfs/dbraw/zinc/55/17/79/533551779.db2.gz DPQHJQSORWERHV-QWRGUYRKSA-N 2 2 256.346 0.391 20 0 CCADLP COC(=O)COC[C@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000449129816 533551780 /nfs/dbraw/zinc/55/17/80/533551780.db2.gz DPQHJQSORWERHV-QWRGUYRKSA-N 2 2 256.346 0.391 20 0 CCADLP [NH3+]CC(F)(F)CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000190213318 130075141 /nfs/dbraw/zinc/07/51/41/130075141.db2.gz WWUHMNLMJVJXKV-UHFFFAOYSA-N 2 2 268.267 0.587 20 0 CCADLP Cc1cc(NC(=O)C[NH2+]CC2([NH3+])CCC2)n(C)n1 ZINC000342126738 130285456 /nfs/dbraw/zinc/28/54/56/130285456.db2.gz FAOKGQCFBLVHIW-UHFFFAOYSA-N 2 2 251.334 0.138 20 0 CCADLP [NH3+]C1(C[NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)CCC1 ZINC000342135271 130295007 /nfs/dbraw/zinc/29/50/07/130295007.db2.gz GYQJBFJVSAZQEU-UHFFFAOYSA-N 3 2 280.416 0.200 20 0 CCADLP CC(C)n1cc(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)nn1 ZINC000342169083 130359467 /nfs/dbraw/zinc/35/94/67/130359467.db2.gz GBPUENZDJBLSSU-CYBMUJFWSA-N 2 2 280.420 0.585 20 0 CCADLP C[C@@H](C(=O)NCCc1cn2ccccc2[nH+]1)[C@H](C)[NH3+] ZINC000192092028 130368978 /nfs/dbraw/zinc/36/89/78/130368978.db2.gz OHALDIMEXKEQJK-MNOVXSKESA-N 2 2 260.341 0.976 20 0 CCADLP [NH3+]CCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000237863174 131061643 /nfs/dbraw/zinc/06/16/43/131061643.db2.gz RENFFTVTAFZWLB-AWEZNQCLSA-N 2 2 277.368 0.525 20 0 CCADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)[C@@H]1CC[NH2+]C1 ZINC000238059690 131075318 /nfs/dbraw/zinc/07/53/18/131075318.db2.gz XZVNVNCNKSPKBX-CYBMUJFWSA-N 2 2 274.368 0.908 20 0 CCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1CC[NH2+]C1 ZINC000238084780 131075945 /nfs/dbraw/zinc/07/59/45/131075945.db2.gz GPWBVIQSQWBTQG-ZDUSSCGKSA-N 2 2 274.368 0.908 20 0 CCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1COCC[NH2+]1 ZINC000238084812 131076080 /nfs/dbraw/zinc/07/60/80/131076080.db2.gz RDCJCXTXNGYQDR-CYBMUJFWSA-N 2 2 290.367 0.286 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)NCc2ccccc2)CC[C@H]1[NH3+] ZINC000251657115 131130448 /nfs/dbraw/zinc/13/04/48/131130448.db2.gz GRPMUEYUUMSYKL-GXTWGEPZSA-N 2 2 261.369 0.972 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)NCc2ccccc2)CC[C@H]1[NH3+] ZINC000251657115 131130449 /nfs/dbraw/zinc/13/04/49/131130449.db2.gz GRPMUEYUUMSYKL-GXTWGEPZSA-N 2 2 261.369 0.972 20 0 CCADLP CC[C@H](C)NC(=O)CC[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000252955146 131139555 /nfs/dbraw/zinc/13/95/55/131139555.db2.gz IGHGYRAAEMJQDZ-XQQFMLRXSA-N 2 2 271.405 0.648 20 0 CCADLP C[NH+]1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000268559603 132027500 /nfs/dbraw/zinc/02/75/00/132027500.db2.gz NZGKVYRGUNKSBR-UHFFFAOYSA-N 2 2 273.340 0.791 20 0 CCADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cnccn1 ZINC000268859761 132078815 /nfs/dbraw/zinc/07/88/15/132078815.db2.gz RWGDUSGQJSUGKJ-NWDGAFQWSA-N 2 2 250.346 0.584 20 0 CCADLP O=C(C[C@H]1C[NH2+]CCO1)NCc1cn2ccccc2[nH+]1 ZINC000269244191 132141129 /nfs/dbraw/zinc/14/11/29/132141129.db2.gz SSDVVMZNRIRRIM-LBPRGKRZSA-N 2 2 274.324 0.329 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCSCC2)CC1 ZINC000657856039 413068584 /nfs/dbraw/zinc/06/85/84/413068584.db2.gz JSRDRUKQTFVTMR-LBPRGKRZSA-N 2 2 271.430 0.636 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC(OCCCO)CC1)C1CC1 ZINC000685566447 545834890 /nfs/dbraw/zinc/83/48/90/545834890.db2.gz FGIKBAGKKZOLHR-AWEZNQCLSA-N 2 2 286.416 0.305 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(OCCCO)CC1)C1CC1 ZINC000685566447 545834892 /nfs/dbraw/zinc/83/48/92/545834892.db2.gz FGIKBAGKKZOLHR-AWEZNQCLSA-N 2 2 286.416 0.305 20 0 CCADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1(CO)CC1 ZINC000658155021 413106994 /nfs/dbraw/zinc/10/69/94/413106994.db2.gz KGVVWVVSCHKBHA-JSGCOSHPSA-N 2 2 268.401 0.990 20 0 CCADLP C[C@@H](CC(=O)N(C)C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658292112 413116987 /nfs/dbraw/zinc/11/69/87/413116987.db2.gz MAXZEOHCQOQALS-JSGCOSHPSA-N 2 2 283.416 0.696 20 0 CCADLP C[NH+](C)CCC[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094635041 289117762 /nfs/dbraw/zinc/11/77/62/289117762.db2.gz VAYUREIKHKCDLG-RYUDHWBXSA-N 2 2 262.419 0.884 20 0 CCADLP O=C(C[NH2+]CC1CC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000037799592 397386038 /nfs/dbraw/zinc/38/60/38/397386038.db2.gz KTMBHIINJWDJRE-CQSZACIVSA-N 2 2 281.400 0.309 20 0 CCADLP O=C(C[NH2+]C1CC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000037799564 397386162 /nfs/dbraw/zinc/38/61/62/397386162.db2.gz HIDXFBLODORMNB-CYBMUJFWSA-N 2 2 267.373 0.062 20 0 CCADLP [NH3+]C1(C(=O)N2CC[NH+](Cc3cccnc3)CC2)CCCC1 ZINC000037818481 397387139 /nfs/dbraw/zinc/38/71/39/397387139.db2.gz YJSBILCNKJTHIQ-UHFFFAOYSA-N 2 2 288.395 0.997 20 0 CCADLP CC(C)NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918037 397392064 /nfs/dbraw/zinc/39/20/64/397392064.db2.gz LNGAFCSHJATWFF-OLZOCXBDSA-N 2 2 253.390 0.975 20 0 CCADLP CC(C)NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918037 397392069 /nfs/dbraw/zinc/39/20/69/397392069.db2.gz LNGAFCSHJATWFF-OLZOCXBDSA-N 2 2 253.390 0.975 20 0 CCADLP CC[C@H](C)NC(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357649475 144109000 /nfs/dbraw/zinc/10/90/00/144109000.db2.gz MOXXXKXTZYCOLY-LBPRGKRZSA-N 2 2 271.405 0.290 20 0 CCADLP C[N@H+](C[C@H](O)COC(C)(C)C)C1CC[NH+](CCO)CC1 ZINC000357724950 144116316 /nfs/dbraw/zinc/11/63/16/144116316.db2.gz SWSIXJBLHMVWEB-AWEZNQCLSA-N 2 2 288.432 0.551 20 0 CCADLP C[N@@H+](C[C@H](O)COC(C)(C)C)C1CC[NH+](CCO)CC1 ZINC000357724950 144116317 /nfs/dbraw/zinc/11/63/17/144116317.db2.gz SWSIXJBLHMVWEB-AWEZNQCLSA-N 2 2 288.432 0.551 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)NCC1CC1 ZINC000371294109 144325674 /nfs/dbraw/zinc/32/56/74/144325674.db2.gz JBTMASCGIDYQPL-QLFBSQMISA-N 2 2 295.427 0.696 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC(=O)NCC1CC1 ZINC000371294109 144325675 /nfs/dbraw/zinc/32/56/75/144325675.db2.gz JBTMASCGIDYQPL-QLFBSQMISA-N 2 2 295.427 0.696 20 0 CCADLP CCNC(=O)C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373106320 144392462 /nfs/dbraw/zinc/39/24/62/144392462.db2.gz HSRLRHVMUFXBKI-LLVKDONJSA-N 2 2 250.346 0.736 20 0 CCADLP CCNC(=O)C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373106320 144392463 /nfs/dbraw/zinc/39/24/63/144392463.db2.gz HSRLRHVMUFXBKI-LLVKDONJSA-N 2 2 250.346 0.736 20 0 CCADLP CC[NH+](CC)CCC[C@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000388677491 397507340 /nfs/dbraw/zinc/50/73/40/397507340.db2.gz RETMRWNRIAKZFI-JTQLQIEISA-N 2 2 266.393 0.937 20 0 CCADLP CC[NH+](CC)CCC[C@H](C)Nc1nc(N)nc(C)[nH+]1 ZINC000388677491 397507346 /nfs/dbraw/zinc/50/73/46/397507346.db2.gz RETMRWNRIAKZFI-JTQLQIEISA-N 2 2 266.393 0.937 20 0 CCADLP CCO[C@@H]1CN(C(=O)N[C@@H](C)Cn2cc[nH+]c2)C[C@H]1C[NH3+] ZINC000649480654 397619329 /nfs/dbraw/zinc/61/93/29/397619329.db2.gz NRCPVSNRTHJFLO-YNEHKIRRSA-N 2 2 295.387 0.277 20 0 CCADLP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC000649587383 397640930 /nfs/dbraw/zinc/64/09/30/397640930.db2.gz IHKOOSQNFALKGI-XBFCOCLRSA-N 2 2 253.390 0.927 20 0 CCADLP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC000649587383 397640934 /nfs/dbraw/zinc/64/09/34/397640934.db2.gz IHKOOSQNFALKGI-XBFCOCLRSA-N 2 2 253.390 0.927 20 0 CCADLP COCC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365221050 292174663 /nfs/dbraw/zinc/17/46/63/292174663.db2.gz GPZZXYFFQJJARW-ZDUSSCGKSA-N 2 2 269.389 0.260 20 0 CCADLP COCC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365221050 292174665 /nfs/dbraw/zinc/17/46/65/292174665.db2.gz GPZZXYFFQJJARW-ZDUSSCGKSA-N 2 2 269.389 0.260 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000548192336 286015584 /nfs/dbraw/zinc/01/55/84/286015584.db2.gz CVKNZACXNSJWCB-NSHDSACASA-N 2 2 250.346 0.515 20 0 CCADLP C[C@@H](CNC(=O)C(C)(C)c1c[nH]c[nH+]1)N1CC[NH+](C)CC1 ZINC000548742215 286064281 /nfs/dbraw/zinc/06/42/81/286064281.db2.gz SBTNDFRBGJBVGX-LBPRGKRZSA-N 2 2 293.415 0.439 20 0 CCADLP C[C@@H]1CC[N@@H+]([C@@H]2COC[C@H]2O)C[C@@H]1n1cc[nH+]c1 ZINC000551098215 286115701 /nfs/dbraw/zinc/11/57/01/286115701.db2.gz WBEDAURYNZCZGS-YVECIDJPSA-N 2 2 251.330 0.526 20 0 CCADLP C[C@@H]1CC[N@H+]([C@@H]2COC[C@H]2O)C[C@@H]1n1cc[nH+]c1 ZINC000551098215 286115703 /nfs/dbraw/zinc/11/57/03/286115703.db2.gz WBEDAURYNZCZGS-YVECIDJPSA-N 2 2 251.330 0.526 20 0 CCADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cnnn3C)C2)CC1 ZINC000552091978 286152267 /nfs/dbraw/zinc/15/22/67/286152267.db2.gz DQOGMCSXRPRYMF-CQSZACIVSA-N 2 2 292.431 0.415 20 0 CCADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnnn3C)C2)CC1 ZINC000552091978 286152269 /nfs/dbraw/zinc/15/22/69/286152269.db2.gz DQOGMCSXRPRYMF-CQSZACIVSA-N 2 2 292.431 0.415 20 0 CCADLP CO[C@]1(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CCOC1 ZINC000359419615 286174647 /nfs/dbraw/zinc/17/46/47/286174647.db2.gz KRXMBFIIDGXKJS-UBHSHLNASA-N 2 2 254.374 0.864 20 0 CCADLP CO[C@]1(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)CCOC1 ZINC000359419615 286174651 /nfs/dbraw/zinc/17/46/51/286174651.db2.gz KRXMBFIIDGXKJS-UBHSHLNASA-N 2 2 254.374 0.864 20 0 CCADLP O=C(NCC12CC(C1)C[NH2+]2)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000659105097 413285004 /nfs/dbraw/zinc/28/50/04/413285004.db2.gz VNCCRSHMXXILCD-UHFFFAOYSA-N 2 2 299.334 0.141 20 0 CCADLP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261583149 298130105 /nfs/dbraw/zinc/13/01/05/298130105.db2.gz RPSZQTFKLMUZTC-GRYCIOLGSA-N 2 2 253.390 0.831 20 0 CCADLP C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261583149 298130106 /nfs/dbraw/zinc/13/01/06/298130106.db2.gz RPSZQTFKLMUZTC-GRYCIOLGSA-N 2 2 253.390 0.831 20 0 CCADLP C[C@@H](CC[NH3+])NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000416873266 286807854 /nfs/dbraw/zinc/80/78/54/286807854.db2.gz QHYWTRSOYGSVSZ-JTQLQIEISA-N 2 2 261.329 0.871 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1nccn1C ZINC000341704037 287025049 /nfs/dbraw/zinc/02/50/49/287025049.db2.gz ZQJWBMCZYNRRRV-VXGBXAGGSA-N 2 2 279.388 0.411 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1nccn1C ZINC000341704037 287025050 /nfs/dbraw/zinc/02/50/50/287025050.db2.gz ZQJWBMCZYNRRRV-VXGBXAGGSA-N 2 2 279.388 0.411 20 0 CCADLP CS[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@@H]1[NH+](C)C ZINC000284305784 196025621 /nfs/dbraw/zinc/02/56/21/196025621.db2.gz GYRTXVIJJMQLJQ-RUULKOMLSA-N 2 2 280.397 0.927 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)NCCC[NH+](C)C ZINC000042921788 411625495 /nfs/dbraw/zinc/62/54/95/411625495.db2.gz OHILBSBDSKDFRF-UHFFFAOYSA-N 2 2 279.388 0.899 20 0 CCADLP C[NH+](C)CCCNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000042922754 411626547 /nfs/dbraw/zinc/62/65/47/411626547.db2.gz XYJGDWTZPHRVBD-UHFFFAOYSA-N 2 2 291.399 0.865 20 0 CCADLP O=C(Nc1cnc2c(c1)C[NH2+]CC2)[C@@H]1CSC[NH2+]1 ZINC000120200523 411705083 /nfs/dbraw/zinc/70/50/83/411705083.db2.gz UQFBEEWGZSADSL-NSHDSACASA-N 2 2 264.354 0.328 20 0 CCADLP COc1ccccc1CNC(=O)C[N@H+](C)CCC[NH3+] ZINC000123347075 411710792 /nfs/dbraw/zinc/71/07/92/411710792.db2.gz QVEACHMEXMDOQO-UHFFFAOYSA-N 2 2 265.357 0.592 20 0 CCADLP COc1ccccc1CNC(=O)C[N@@H+](C)CCC[NH3+] ZINC000123347075 411710797 /nfs/dbraw/zinc/71/07/97/411710797.db2.gz QVEACHMEXMDOQO-UHFFFAOYSA-N 2 2 265.357 0.592 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCOC(C)(C)C2)CC1 ZINC000215589790 411734467 /nfs/dbraw/zinc/73/44/67/411734467.db2.gz VFRPTVPOPOCCBK-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP CCO[C@@H]1C[N@H+](CC(=O)N[C@H](C)CC)C[C@H]1C[NH3+] ZINC000405838068 411803089 /nfs/dbraw/zinc/80/30/89/411803089.db2.gz DGQYOZLKIYTBOE-IJLUTSLNSA-N 2 2 257.378 0.197 20 0 CCADLP CCO[C@@H]1C[N@@H+](CC(=O)N[C@H](C)CC)C[C@H]1C[NH3+] ZINC000405838068 411803091 /nfs/dbraw/zinc/80/30/91/411803091.db2.gz DGQYOZLKIYTBOE-IJLUTSLNSA-N 2 2 257.378 0.197 20 0 CCADLP O=C([C@H]1CC[C@H](C2CC2)[NH2+]1)N1CCn2cc[nH+]c2C1 ZINC000407445947 411808613 /nfs/dbraw/zinc/80/86/13/411808613.db2.gz XLRLGJMFEWMXFJ-VXGBXAGGSA-N 2 2 260.341 0.756 20 0 CCADLP C[C@H](CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)n1cc[nH+]c1 ZINC000651490389 411886439 /nfs/dbraw/zinc/88/64/39/411886439.db2.gz KGHOLPGSKKTJRA-KGLIPLIRSA-N 2 2 292.383 0.767 20 0 CCADLP CC(C)n1c[nH+]cc1CN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000651891630 411952470 /nfs/dbraw/zinc/95/24/70/411952470.db2.gz FSLYBXMDHBCDHO-UHFFFAOYSA-N 2 2 293.415 0.670 20 0 CCADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000652323504 412028008 /nfs/dbraw/zinc/02/80/08/412028008.db2.gz JBSZONRSPHXWSH-JSGCOSHPSA-N 2 2 288.395 0.924 20 0 CCADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000652323504 412028010 /nfs/dbraw/zinc/02/80/10/412028010.db2.gz JBSZONRSPHXWSH-JSGCOSHPSA-N 2 2 288.395 0.924 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2C)C1 ZINC000652339468 412031986 /nfs/dbraw/zinc/03/19/86/412031986.db2.gz XAIXUBICDAXPKZ-UONOGXRCSA-N 3 2 266.389 0.799 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H](n2cc[nH+]c2C)C1 ZINC000652339468 412031992 /nfs/dbraw/zinc/03/19/92/412031992.db2.gz XAIXUBICDAXPKZ-UONOGXRCSA-N 3 2 266.389 0.799 20 0 CCADLP CNC(=O)Cc1noc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])n1 ZINC000652354943 412035675 /nfs/dbraw/zinc/03/56/75/412035675.db2.gz LBOUHYQPMPGLTF-MNOVXSKESA-N 2 2 295.387 0.307 20 0 CCADLP CNC(=O)Cc1noc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])n1 ZINC000652354943 412035677 /nfs/dbraw/zinc/03/56/77/412035677.db2.gz LBOUHYQPMPGLTF-MNOVXSKESA-N 2 2 295.387 0.307 20 0 CCADLP CNC(=O)Cc1noc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])n1 ZINC000652354945 412037075 /nfs/dbraw/zinc/03/70/75/412037075.db2.gz LBOUHYQPMPGLTF-WDEREUQCSA-N 2 2 295.387 0.307 20 0 CCADLP CNC(=O)Cc1noc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])n1 ZINC000652354945 412037077 /nfs/dbraw/zinc/03/70/77/412037077.db2.gz LBOUHYQPMPGLTF-WDEREUQCSA-N 2 2 295.387 0.307 20 0 CCADLP CCO[C@@H]1C[N@H+](CC(=O)N(CC(C)C)C2CC2)C[C@H]1C[NH3+] ZINC000652357235 412038596 /nfs/dbraw/zinc/03/85/96/412038596.db2.gz CWFWCCWXWNGMSE-UKRRQHHQSA-N 2 2 297.443 0.929 20 0 CCADLP CCO[C@@H]1C[N@@H+](CC(=O)N(CC(C)C)C2CC2)C[C@H]1C[NH3+] ZINC000652357235 412038601 /nfs/dbraw/zinc/03/86/01/412038601.db2.gz CWFWCCWXWNGMSE-UKRRQHHQSA-N 2 2 297.443 0.929 20 0 CCADLP Cn1nnnc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652363831 412040353 /nfs/dbraw/zinc/04/03/53/412040353.db2.gz PEEOQXPPYYJZDL-TUAOUCFPSA-N 2 2 280.376 0.071 20 0 CCADLP Cn1nnnc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652363831 412040356 /nfs/dbraw/zinc/04/03/56/412040356.db2.gz PEEOQXPPYYJZDL-TUAOUCFPSA-N 2 2 280.376 0.071 20 0 CCADLP CC(C)(NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)c1[nH]cc[nH+]1 ZINC000652412266 412048180 /nfs/dbraw/zinc/04/81/80/412048180.db2.gz ZCELNJNOGXBOMN-LLVKDONJSA-N 2 2 277.372 0.151 20 0 CCADLP CC(C)(NC(=O)[C@H]1C[N@H+]2CCN1CCC2)c1[nH]cc[nH+]1 ZINC000652412266 412048183 /nfs/dbraw/zinc/04/81/83/412048183.db2.gz ZCELNJNOGXBOMN-LLVKDONJSA-N 2 2 277.372 0.151 20 0 CCADLP COc1ccc(C(=O)N2CC[NH+](CCC[NH3+])CC2)cc1 ZINC000020181758 171045726 /nfs/dbraw/zinc/04/57/26/171045726.db2.gz WCKURBYLLUUEGO-UHFFFAOYSA-N 2 2 277.368 0.802 20 0 CCADLP C[NH+](C)CC(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000652883749 412142815 /nfs/dbraw/zinc/14/28/15/412142815.db2.gz VLIJKWJHZGZNSM-OAHLLOKOSA-N 2 2 275.396 0.933 20 0 CCADLP C[NH+](C)CC(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000652883749 412142817 /nfs/dbraw/zinc/14/28/17/412142817.db2.gz VLIJKWJHZGZNSM-OAHLLOKOSA-N 2 2 275.396 0.933 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCCOC(C)(C)C1 ZINC000653093909 412215172 /nfs/dbraw/zinc/21/51/72/412215172.db2.gz QRSFHHFVDDFBFN-NSHDSACASA-N 2 2 257.378 0.293 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@H]1CCC[NH2+]1 ZINC000653048019 412200117 /nfs/dbraw/zinc/20/01/17/412200117.db2.gz BSJACHPSNQHUGQ-LLVKDONJSA-N 2 2 262.357 0.630 20 0 CCADLP C[C@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H](C)[NH2+]1 ZINC000653050233 412201522 /nfs/dbraw/zinc/20/15/22/412201522.db2.gz KDUGDTKOKFGIAD-RYUDHWBXSA-N 2 2 276.384 0.971 20 0 CCADLP C[C@H](CC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)n1cc[nH+]c1 ZINC000653055638 412203586 /nfs/dbraw/zinc/20/35/86/412203586.db2.gz JFXPHLBBAULRQA-GRYCIOLGSA-N 2 2 266.345 0.409 20 0 CCADLP Cc1ccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)s1 ZINC000653065550 412207547 /nfs/dbraw/zinc/20/75/47/412207547.db2.gz JRMLYMMSEILAOC-LLVKDONJSA-N 2 2 255.387 0.952 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCOC1CCCC1 ZINC000653074664 412210085 /nfs/dbraw/zinc/21/00/85/412210085.db2.gz QMDHDDHVASBOAM-LBPRGKRZSA-N 2 2 257.378 0.341 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCOc2ccccc21 ZINC000653081965 412211959 /nfs/dbraw/zinc/21/19/59/412211959.db2.gz DYHVBQCMRCCDMP-JSGCOSHPSA-N 2 2 291.395 0.948 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000652926915 412166569 /nfs/dbraw/zinc/16/65/69/412166569.db2.gz RHBMIJKJRCSRFC-UHFFFAOYSA-N 2 2 294.399 0.532 20 0 CCADLP COCC[N@H+]1CCN(C(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000652926915 412166572 /nfs/dbraw/zinc/16/65/72/412166572.db2.gz RHBMIJKJRCSRFC-UHFFFAOYSA-N 2 2 294.399 0.532 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C2(CCC2)CO1 ZINC000653253935 412271600 /nfs/dbraw/zinc/27/16/00/412271600.db2.gz DTJOXEGABTYADS-VXGBXAGGSA-N 2 2 269.389 0.435 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cnn(CC2CC2)c1 ZINC000653098171 412216702 /nfs/dbraw/zinc/21/67/02/412216702.db2.gz CZVTVYGMMDLBMJ-LBPRGKRZSA-N 2 2 265.361 0.511 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC1(CCO)CCCC1 ZINC000653102394 412218445 /nfs/dbraw/zinc/21/84/45/412218445.db2.gz WQZPIHVSFNAJRT-LBPRGKRZSA-N 2 2 271.405 0.324 20 0 CCADLP CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653101717 412218661 /nfs/dbraw/zinc/21/86/61/412218661.db2.gz DQJDLFVVFYLQEH-RDBSUJKOSA-N 2 2 285.432 0.833 20 0 CCADLP CO[C@@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)C(C)(C)C ZINC000653100079 412218750 /nfs/dbraw/zinc/21/87/50/412218750.db2.gz HOMJXIDVWLQLQK-MNOVXSKESA-N 2 2 259.394 0.443 20 0 CCADLP COCCC1(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)CCCC1 ZINC000653098979 412218773 /nfs/dbraw/zinc/21/87/73/412218773.db2.gz BCQXYILZPBJSKA-CYBMUJFWSA-N 2 2 285.432 0.979 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000653105347 412220711 /nfs/dbraw/zinc/22/07/11/412220711.db2.gz QYAFXJCKRBLANL-NWDGAFQWSA-N 3 2 298.456 0.746 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653123485 412231267 /nfs/dbraw/zinc/23/12/67/412231267.db2.gz ZTGRLZCXUAXTCV-UONOGXRCSA-N 3 2 284.448 0.456 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653123485 412231270 /nfs/dbraw/zinc/23/12/70/412231270.db2.gz ZTGRLZCXUAXTCV-UONOGXRCSA-N 3 2 284.448 0.456 20 0 CCADLP [NH3+]CC(F)(F)CC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000653122102 412232998 /nfs/dbraw/zinc/23/29/98/412232998.db2.gz LXDDCYZNPJZMHM-LLVKDONJSA-N 2 2 291.342 0.151 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653131265 412236634 /nfs/dbraw/zinc/23/66/34/412236634.db2.gz CZPXGIMVIPUDSK-YPMHNXCESA-N 2 2 276.384 0.876 20 0 CCADLP C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653156153 412244782 /nfs/dbraw/zinc/24/47/82/412244782.db2.gz SYTJTVKIMIBZSB-MNOVXSKESA-N 2 2 286.420 0.027 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000653163415 412248823 /nfs/dbraw/zinc/24/88/23/412248823.db2.gz XQTBYYQRMKZZMC-CABCVRRESA-N 3 2 290.411 0.439 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cnccc1C ZINC000653612391 412323737 /nfs/dbraw/zinc/32/37/37/412323737.db2.gz NTZFGPOBEULBGZ-UONOGXRCSA-N 2 2 281.400 0.980 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCCC[C@H]1CCO ZINC000653664520 412333224 /nfs/dbraw/zinc/33/32/24/412333224.db2.gz CLBHYYOEUVZJCX-GJZGRUSLSA-N 2 2 288.432 0.553 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCCC[C@H]1CCO ZINC000653664520 412333228 /nfs/dbraw/zinc/33/32/28/412333228.db2.gz CLBHYYOEUVZJCX-GJZGRUSLSA-N 2 2 288.432 0.553 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCCC[C@H]1CCO ZINC000653664520 412333229 /nfs/dbraw/zinc/33/32/29/412333229.db2.gz CLBHYYOEUVZJCX-GJZGRUSLSA-N 2 2 288.432 0.553 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCCC[C@H]1CCO ZINC000653664520 412333232 /nfs/dbraw/zinc/33/32/32/412333232.db2.gz CLBHYYOEUVZJCX-GJZGRUSLSA-N 2 2 288.432 0.553 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(CF)CC1 ZINC000653731379 412340423 /nfs/dbraw/zinc/34/04/23/412340423.db2.gz FOPHKLRWMMXFTO-ZDUSSCGKSA-N 2 2 262.369 0.607 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(CF)CC1 ZINC000653731379 412340425 /nfs/dbraw/zinc/34/04/25/412340425.db2.gz FOPHKLRWMMXFTO-ZDUSSCGKSA-N 2 2 262.369 0.607 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC([C@@H](C)CO)CC1 ZINC000653778753 412347235 /nfs/dbraw/zinc/34/72/35/412347235.db2.gz FSZBWWMTOMOEFW-DZGCQCFKSA-N 2 2 288.432 0.266 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC([C@@H](C)CO)CC1 ZINC000653778753 412347239 /nfs/dbraw/zinc/34/72/39/412347239.db2.gz FSZBWWMTOMOEFW-DZGCQCFKSA-N 2 2 288.432 0.266 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](OC3CCC3)C2)CC1 ZINC000653815684 412350925 /nfs/dbraw/zinc/35/09/25/412350925.db2.gz YIRVPUNDZOZOIE-HNNXBMFYSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](OC3CCC3)C2)CC1 ZINC000653815684 412350929 /nfs/dbraw/zinc/35/09/29/412350929.db2.gz YIRVPUNDZOZOIE-HNNXBMFYSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1nc(C2CC2)c[nH]1 ZINC000653348325 412293927 /nfs/dbraw/zinc/29/39/27/412293927.db2.gz DFYIGTGKIWSELH-SECBINFHSA-N 2 2 251.334 0.505 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000654392063 412391600 /nfs/dbraw/zinc/39/16/00/412391600.db2.gz JCYGAQKHQLEJNJ-GJZGRUSLSA-N 2 2 295.427 0.651 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000654392063 412391603 /nfs/dbraw/zinc/39/16/03/412391603.db2.gz JCYGAQKHQLEJNJ-GJZGRUSLSA-N 2 2 295.427 0.651 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000654406938 412394016 /nfs/dbraw/zinc/39/40/16/412394016.db2.gz FOAYWQCNYONMQA-CYBMUJFWSA-N 2 2 293.415 0.294 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000654406938 412394018 /nfs/dbraw/zinc/39/40/18/412394018.db2.gz FOAYWQCNYONMQA-CYBMUJFWSA-N 2 2 293.415 0.294 20 0 CCADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000654536738 412410106 /nfs/dbraw/zinc/41/01/06/412410106.db2.gz BNZICMUWAQLXMH-UPJWGTAASA-N 2 2 291.399 0.837 20 0 CCADLP C[C@H](C(=O)Nc1ccn(CC[NH+](C)C)n1)[NH+]1CC(C)C1 ZINC000654654639 412423971 /nfs/dbraw/zinc/42/39/71/412423971.db2.gz CADYVSAKPJWUIE-GFCCVEGCSA-N 2 2 279.388 0.723 20 0 CCADLP CC(C)[C@H]([NH3+])CCNC(=O)NCCCn1cc[nH+]c1 ZINC000659424412 413488650 /nfs/dbraw/zinc/48/86/50/413488650.db2.gz UVYHNIAOMKOZPM-GFCCVEGCSA-N 2 2 267.377 0.946 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000654928707 412451083 /nfs/dbraw/zinc/45/10/83/412451083.db2.gz JJSCDQCBGBSDNC-NQBHXWOUSA-N 2 2 280.372 0.424 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000654928707 412451085 /nfs/dbraw/zinc/45/10/85/412451085.db2.gz JJSCDQCBGBSDNC-NQBHXWOUSA-N 2 2 280.372 0.424 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000654928707 412451088 /nfs/dbraw/zinc/45/10/88/412451088.db2.gz JJSCDQCBGBSDNC-NQBHXWOUSA-N 2 2 280.372 0.424 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000654928707 412451089 /nfs/dbraw/zinc/45/10/89/412451089.db2.gz JJSCDQCBGBSDNC-NQBHXWOUSA-N 2 2 280.372 0.424 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000654928708 412451109 /nfs/dbraw/zinc/45/11/09/412451109.db2.gz JJSCDQCBGBSDNC-NTZNESFSSA-N 2 2 280.372 0.424 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000654928708 412451110 /nfs/dbraw/zinc/45/11/10/412451110.db2.gz JJSCDQCBGBSDNC-NTZNESFSSA-N 2 2 280.372 0.424 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000654928708 412451112 /nfs/dbraw/zinc/45/11/12/412451112.db2.gz JJSCDQCBGBSDNC-NTZNESFSSA-N 2 2 280.372 0.424 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000654928708 412451113 /nfs/dbraw/zinc/45/11/13/412451113.db2.gz JJSCDQCBGBSDNC-NTZNESFSSA-N 2 2 280.372 0.424 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1(C)C ZINC000655051535 412468628 /nfs/dbraw/zinc/46/86/28/412468628.db2.gz LQCHVHXAOZYUQN-LBPRGKRZSA-N 2 2 276.384 0.998 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1(C)C ZINC000655051535 412468631 /nfs/dbraw/zinc/46/86/31/412468631.db2.gz LQCHVHXAOZYUQN-LBPRGKRZSA-N 2 2 276.384 0.998 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659433697 413493887 /nfs/dbraw/zinc/49/38/87/413493887.db2.gz FOOLUNLOHCRYLI-UHFFFAOYSA-N 2 2 289.383 0.699 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659433751 413494665 /nfs/dbraw/zinc/49/46/65/413494665.db2.gz FWSMGTPJDFCERK-UHFFFAOYSA-N 2 2 289.383 0.780 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)CC(C)(C)[NH3+] ZINC000659436422 413496709 /nfs/dbraw/zinc/49/67/09/413496709.db2.gz TWUCZRDDYZLSNL-NSHDSACASA-N 2 2 272.393 0.086 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659434991 413498726 /nfs/dbraw/zinc/49/87/26/413498726.db2.gz TVMUNIOXTYNBDN-VXGBXAGGSA-N 2 2 295.362 0.728 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N[C@@H](C)C[NH2+]C ZINC000659501390 413556053 /nfs/dbraw/zinc/55/60/53/413556053.db2.gz LVNXENUJENJVQI-UWVGGRQHSA-N 2 2 253.350 0.871 20 0 CCADLP CCCC[C@H](C[NH3+])NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659524934 413597546 /nfs/dbraw/zinc/59/75/46/413597546.db2.gz XGFCWHMXTWSZQE-ZIAGYGMSSA-N 2 2 298.431 0.620 20 0 CCADLP CC(C)[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000659609937 413696049 /nfs/dbraw/zinc/69/60/49/413696049.db2.gz YGEMPUNYFXWSJK-QWHCGFSZSA-N 2 2 268.405 0.705 20 0 CCADLP CC(C)[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000659609937 413696054 /nfs/dbraw/zinc/69/60/54/413696054.db2.gz YGEMPUNYFXWSJK-QWHCGFSZSA-N 2 2 268.405 0.705 20 0 CCADLP C[C@@H](NC(=O)N1CC[C@@](C)(C[NH3+])C1)c1[nH+]ccn1C ZINC000659627340 413723492 /nfs/dbraw/zinc/72/34/92/413723492.db2.gz HIWZYKOLBVJIBF-MFKMUULPSA-N 2 2 265.361 0.861 20 0 CCADLP C[C@H](NC(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1[nH+]ccn1C ZINC000659626924 413724231 /nfs/dbraw/zinc/72/42/31/413724231.db2.gz FDMXVKHHOVBUMI-FZMZJTMJSA-N 2 2 277.372 0.876 20 0 CCADLP C[C@@H](NC(=O)NC(C)(C)CC[NH3+])c1[nH+]ccn1C ZINC000659628784 413725703 /nfs/dbraw/zinc/72/57/03/413725703.db2.gz RSCGZCKTDSQVSR-SECBINFHSA-N 2 2 253.350 0.908 20 0 CCADLP C[C@H](NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)c1[nH+]ccn1C ZINC000659628042 413726175 /nfs/dbraw/zinc/72/61/75/413726175.db2.gz KHEBAOKRXDPBSS-SRVKXCTJSA-N 2 2 277.372 0.875 20 0 CCADLP C[C@@H]1CC[N@H+](C[C@H]2CNC(=O)C2)C[C@H]1n1cc[nH+]c1 ZINC000660112665 414117842 /nfs/dbraw/zinc/11/78/42/414117842.db2.gz KOABTGXOIIIFLO-JHJVBQTASA-N 2 2 262.357 0.902 20 0 CCADLP C[C@@H]1CC[N@@H+](C[C@H]2CNC(=O)C2)C[C@H]1n1cc[nH+]c1 ZINC000660112665 414117850 /nfs/dbraw/zinc/11/78/50/414117850.db2.gz KOABTGXOIIIFLO-JHJVBQTASA-N 2 2 262.357 0.902 20 0 CCADLP COC[C@H](C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1)OC ZINC000660279324 414224259 /nfs/dbraw/zinc/22/42/59/414224259.db2.gz DRNUWQLAZHBKSB-ZDUSSCGKSA-N 2 2 280.372 0.568 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)CCc1cnccn1 ZINC000660166957 414177701 /nfs/dbraw/zinc/17/77/01/414177701.db2.gz VUWKLNMPDPCEJO-CQSZACIVSA-N 2 2 266.389 0.652 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)CCc1cnccn1 ZINC000660166957 414177710 /nfs/dbraw/zinc/17/77/10/414177710.db2.gz VUWKLNMPDPCEJO-CQSZACIVSA-N 2 2 266.389 0.652 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)CCc1cnccn1 ZINC000660166957 414177721 /nfs/dbraw/zinc/17/77/21/414177721.db2.gz VUWKLNMPDPCEJO-CQSZACIVSA-N 2 2 266.389 0.652 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)CCc1cnccn1 ZINC000660166957 414177724 /nfs/dbraw/zinc/17/77/24/414177724.db2.gz VUWKLNMPDPCEJO-CQSZACIVSA-N 2 2 266.389 0.652 20 0 CCADLP CC(=O)[C@@](C)(O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660664216 414432112 /nfs/dbraw/zinc/43/21/12/414432112.db2.gz QTKBPUIECSFVMS-UONOGXRCSA-N 2 2 254.374 0.744 20 0 CCADLP CC(=O)[C@@](C)(O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660664216 414432116 /nfs/dbraw/zinc/43/21/16/414432116.db2.gz QTKBPUIECSFVMS-UONOGXRCSA-N 2 2 254.374 0.744 20 0 CCADLP CC(=O)[C@@](C)(O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660664216 414432122 /nfs/dbraw/zinc/43/21/22/414432122.db2.gz QTKBPUIECSFVMS-UONOGXRCSA-N 2 2 254.374 0.744 20 0 CCADLP CC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660664216 414432128 /nfs/dbraw/zinc/43/21/28/414432128.db2.gz QTKBPUIECSFVMS-UONOGXRCSA-N 2 2 254.374 0.744 20 0 CCADLP COC[C@]1(CO)CC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000660750341 414471373 /nfs/dbraw/zinc/47/13/73/414471373.db2.gz BSMWKIUYJFYTMN-CYBMUJFWSA-N 2 2 253.346 0.522 20 0 CCADLP COC[C@]1(CO)CC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000660750341 414471376 /nfs/dbraw/zinc/47/13/76/414471376.db2.gz BSMWKIUYJFYTMN-CYBMUJFWSA-N 2 2 253.346 0.522 20 0 CCADLP C[C@H](CO)[C@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000661438776 414626609 /nfs/dbraw/zinc/62/66/09/414626609.db2.gz WJERWAHECBPFCL-ZIAGYGMSSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@H](CO)[C@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000661438776 414626612 /nfs/dbraw/zinc/62/66/12/414626612.db2.gz WJERWAHECBPFCL-ZIAGYGMSSA-N 2 2 283.416 0.243 20 0 CCADLP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031578 174026056 /nfs/dbraw/zinc/02/60/56/174026056.db2.gz KUPDRQSXVGYMQF-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031578 174026057 /nfs/dbraw/zinc/02/60/57/174026057.db2.gz KUPDRQSXVGYMQF-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP O=C1CC[C@@H]2C[N@H+](CCCn3cc[nH+]c3)CC[C@H]2N1 ZINC000661599564 414649128 /nfs/dbraw/zinc/64/91/28/414649128.db2.gz DWFQRSOYRFBBCL-CHWSQXEVSA-N 2 2 262.357 0.874 20 0 CCADLP O=C1CC[C@@H]2C[N@@H+](CCCn3cc[nH+]c3)CC[C@H]2N1 ZINC000661599564 414649130 /nfs/dbraw/zinc/64/91/30/414649130.db2.gz DWFQRSOYRFBBCL-CHWSQXEVSA-N 2 2 262.357 0.874 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000040462477 174271637 /nfs/dbraw/zinc/27/16/37/174271637.db2.gz YWPNAQXYROGUCY-WDEREUQCSA-N 2 2 257.378 0.197 20 0 CCADLP C([C@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000662261883 414701698 /nfs/dbraw/zinc/70/16/98/414701698.db2.gz CBDNKKJJDBJNFR-LSDHHAIUSA-N 3 2 295.427 0.162 20 0 CCADLP C([C@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000662261883 414701699 /nfs/dbraw/zinc/70/16/99/414701699.db2.gz CBDNKKJJDBJNFR-LSDHHAIUSA-N 3 2 295.427 0.162 20 0 CCADLP Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662262313 414702168 /nfs/dbraw/zinc/70/21/68/414702168.db2.gz FIKRGTPLRQAUFZ-OCCSQVGLSA-N 2 2 264.373 0.854 20 0 CCADLP Cc1nn(C)cc1[C@@H]1CCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662262313 414702169 /nfs/dbraw/zinc/70/21/69/414702169.db2.gz FIKRGTPLRQAUFZ-OCCSQVGLSA-N 2 2 264.373 0.854 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1coc(S(N)(=O)=O)c1 ZINC000662263392 414702626 /nfs/dbraw/zinc/70/26/26/414702626.db2.gz AMIIYTBMKUJOMU-RKDXNWHRSA-N 2 2 273.358 0.096 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1coc(S(N)(=O)=O)c1 ZINC000662263392 414702627 /nfs/dbraw/zinc/70/26/27/414702627.db2.gz AMIIYTBMKUJOMU-RKDXNWHRSA-N 2 2 273.358 0.096 20 0 CCADLP COCCOCCOCCC[N@@H+]1CC[NH2+]C[C@](C)(F)C1 ZINC000662273339 414703713 /nfs/dbraw/zinc/70/37/13/414703713.db2.gz MFVDHDIFTIDDHD-AWEZNQCLSA-N 2 2 292.395 0.690 20 0 CCADLP COCCOCCOCCC[N@H+]1CC[NH2+]C[C@](C)(F)C1 ZINC000662273339 414703714 /nfs/dbraw/zinc/70/37/14/414703714.db2.gz MFVDHDIFTIDDHD-AWEZNQCLSA-N 2 2 292.395 0.690 20 0 CCADLP CN(C)c1noc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)n1 ZINC000662274251 414704222 /nfs/dbraw/zinc/70/42/22/414704222.db2.gz SISUQOSVWWPXLH-YPMHNXCESA-N 2 2 295.387 0.464 20 0 CCADLP Nc1nccc([C@@H]2CCC[N@H+](C[C@H]3C[NH2+]CCO3)C2)n1 ZINC000662277014 414704593 /nfs/dbraw/zinc/70/45/93/414704593.db2.gz NAYDMIRUXQPPCZ-VXGBXAGGSA-N 2 2 277.372 0.227 20 0 CCADLP Nc1nccc([C@@H]2CCC[N@@H+](C[C@H]3C[NH2+]CCO3)C2)n1 ZINC000662277014 414704594 /nfs/dbraw/zinc/70/45/94/414704594.db2.gz NAYDMIRUXQPPCZ-VXGBXAGGSA-N 2 2 277.372 0.227 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662278084 414704662 /nfs/dbraw/zinc/70/46/62/414704662.db2.gz VJKYRLJQFONPHY-FDYHWXHSSA-N 3 2 253.390 0.484 20 0 CCADLP COCCOCCOCCC[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000662276207 414704838 /nfs/dbraw/zinc/70/48/38/414704838.db2.gz KYCKGRICZUEMRX-CABCVRRESA-N 2 2 286.416 0.740 20 0 CCADLP COCCOCCOCCC[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000662276207 414704839 /nfs/dbraw/zinc/70/48/39/414704839.db2.gz KYCKGRICZUEMRX-CABCVRRESA-N 2 2 286.416 0.740 20 0 CCADLP C[C@@H]1CC[N@H+](Cc2coc(S(N)(=O)=O)c2)C[C@@H]1C[NH3+] ZINC000662281105 414705069 /nfs/dbraw/zinc/70/50/69/414705069.db2.gz IKQVFENWRLOUAG-KOLCDFICSA-N 2 2 287.385 0.344 20 0 CCADLP C[C@@H]1CC[N@@H+](Cc2coc(S(N)(=O)=O)c2)C[C@@H]1C[NH3+] ZINC000662281105 414705070 /nfs/dbraw/zinc/70/50/70/414705070.db2.gz IKQVFENWRLOUAG-KOLCDFICSA-N 2 2 287.385 0.344 20 0 CCADLP CNS(=O)(=O)c1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000662284970 414706453 /nfs/dbraw/zinc/70/64/53/414706453.db2.gz SLGCFBVFGQRFST-YPMHNXCESA-N 2 2 297.424 0.906 20 0 CCADLP CNS(=O)(=O)c1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000662284970 414706454 /nfs/dbraw/zinc/70/64/54/414706454.db2.gz SLGCFBVFGQRFST-YPMHNXCESA-N 2 2 297.424 0.906 20 0 CCADLP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662287030 414706504 /nfs/dbraw/zinc/70/65/04/414706504.db2.gz QFWFOQUWHOWDMI-KGLIPLIRSA-N 2 2 297.443 0.728 20 0 CCADLP CO[C@H](C[N@H+](CC[NH3+])C[C@H](O)CO)C1CCCCC1 ZINC000662286635 414706704 /nfs/dbraw/zinc/70/67/04/414706704.db2.gz UNUWRHLURAYFDT-UONOGXRCSA-N 2 2 274.405 0.196 20 0 CCADLP CO[C@H](C[N@@H+](CC[NH3+])C[C@H](O)CO)C1CCCCC1 ZINC000662286635 414706705 /nfs/dbraw/zinc/70/67/05/414706705.db2.gz UNUWRHLURAYFDT-UONOGXRCSA-N 2 2 274.405 0.196 20 0 CCADLP CCN(C(=O)C[NH2+]C1(CO)CC[NH2+]CC1)c1ccccc1 ZINC000662286656 414706919 /nfs/dbraw/zinc/70/69/19/414706919.db2.gz VSGCKKCUBGRYOP-UHFFFAOYSA-N 2 2 291.395 0.744 20 0 CCADLP Cc1ccc(C[N@H+](CC[NH3+])C[C@H](O)CO)cc1C ZINC000662287819 414707279 /nfs/dbraw/zinc/70/72/79/414707279.db2.gz KFUMRAOBSMYLKR-AWEZNQCLSA-N 2 2 252.358 0.417 20 0 CCADLP Cc1ccc(C[N@@H+](CC[NH3+])C[C@H](O)CO)cc1C ZINC000662287819 414707280 /nfs/dbraw/zinc/70/72/80/414707280.db2.gz KFUMRAOBSMYLKR-AWEZNQCLSA-N 2 2 252.358 0.417 20 0 CCADLP CC1(C)NC(=O)N(CCC[N@@H+]2CC3CC2(C[NH3+])C3)C1=O ZINC000662306894 414708303 /nfs/dbraw/zinc/70/83/03/414708303.db2.gz HEZCXVKNZVROTK-UHFFFAOYSA-N 2 2 280.372 0.130 20 0 CCADLP CC1(C)NC(=O)N(CCC[N@H+]2CC3CC2(C[NH3+])C3)C1=O ZINC000662306894 414708304 /nfs/dbraw/zinc/70/83/04/414708304.db2.gz HEZCXVKNZVROTK-UHFFFAOYSA-N 2 2 280.372 0.130 20 0 CCADLP CCNC(=O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662317826 414709331 /nfs/dbraw/zinc/70/93/31/414709331.db2.gz UCWCPXWJEIEYKZ-LBPRGKRZSA-N 2 2 257.378 0.165 20 0 CCADLP CCNC(=O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662317826 414709332 /nfs/dbraw/zinc/70/93/32/414709332.db2.gz UCWCPXWJEIEYKZ-LBPRGKRZSA-N 2 2 257.378 0.165 20 0 CCADLP CC(C)(CNC(=O)C[N@@H+]1CC[C@@H]2C[C@@H]2C1)[NH+]1CCOCC1 ZINC000661976398 414685792 /nfs/dbraw/zinc/68/57/92/414685792.db2.gz SFZIEAZLOJWVGT-ZIAGYGMSSA-N 2 2 295.427 0.555 20 0 CCADLP CC(C)(CNC(=O)C[N@H+]1CC[C@@H]2C[C@@H]2C1)[NH+]1CCOCC1 ZINC000661976398 414685793 /nfs/dbraw/zinc/68/57/93/414685793.db2.gz SFZIEAZLOJWVGT-ZIAGYGMSSA-N 2 2 295.427 0.555 20 0 CCADLP O[C@H]1CC[N@@H+](C2CCN(Cc3c[nH+]c[nH]3)CC2)C1 ZINC000662152182 414693445 /nfs/dbraw/zinc/69/34/45/414693445.db2.gz QIFCWOQKMBHZNT-ZDUSSCGKSA-N 2 2 250.346 0.441 20 0 CCADLP O[C@H]1CC[N@H+](C2CCN(Cc3c[nH+]c[nH]3)CC2)C1 ZINC000662152182 414693446 /nfs/dbraw/zinc/69/34/46/414693446.db2.gz QIFCWOQKMBHZNT-ZDUSSCGKSA-N 2 2 250.346 0.441 20 0 CCADLP C[C@@H](CN1CCOCC1)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662153200 414694430 /nfs/dbraw/zinc/69/44/30/414694430.db2.gz PKQUQTBZHDXWNV-HOCLYGCPSA-N 2 2 297.443 0.238 20 0 CCADLP C[C@@H](CN1CCOCC1)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662153200 414694431 /nfs/dbraw/zinc/69/44/31/414694431.db2.gz PKQUQTBZHDXWNV-HOCLYGCPSA-N 2 2 297.443 0.238 20 0 CCADLP CCC[N@H+](C)CC(C)(C)NCC(=O)N1CC[NH+](C)CC1 ZINC000662175574 414695650 /nfs/dbraw/zinc/69/56/50/414695650.db2.gz XGFBYOQBQDMTML-UHFFFAOYSA-N 2 2 284.448 0.470 20 0 CCADLP CCC[N@@H+](C)CC(C)(C)NCC(=O)N1CC[NH+](C)CC1 ZINC000662175574 414695651 /nfs/dbraw/zinc/69/56/51/414695651.db2.gz XGFBYOQBQDMTML-UHFFFAOYSA-N 2 2 284.448 0.470 20 0 CCADLP CCC[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H]1CC[NH2+]C1 ZINC000662244090 414698698 /nfs/dbraw/zinc/69/86/98/414698698.db2.gz BIVUBBSWDXFSGQ-QWHCGFSZSA-N 3 2 253.390 0.581 20 0 CCADLP CCC[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H]1CC[NH2+]C1 ZINC000662244090 414698699 /nfs/dbraw/zinc/69/86/99/414698699.db2.gz BIVUBBSWDXFSGQ-QWHCGFSZSA-N 3 2 253.390 0.581 20 0 CCADLP CC(C)C(=O)N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662249573 414699477 /nfs/dbraw/zinc/69/94/77/414699477.db2.gz XEZXAOYCDBGMQF-ZDUSSCGKSA-N 2 2 281.400 0.308 20 0 CCADLP c1cc([C@H]2CCC[N@@H+](C[C@H]3C[NH2+]CCO3)C2)n[nH]1 ZINC000662253900 414699603 /nfs/dbraw/zinc/69/96/03/414699603.db2.gz YIBWUKNDYQBAAK-NWDGAFQWSA-N 2 2 250.346 0.578 20 0 CCADLP c1cc([C@H]2CCC[N@H+](C[C@H]3C[NH2+]CCO3)C2)n[nH]1 ZINC000662253900 414699604 /nfs/dbraw/zinc/69/96/04/414699604.db2.gz YIBWUKNDYQBAAK-NWDGAFQWSA-N 2 2 250.346 0.578 20 0 CCADLP CC(C)C(=O)NC[C@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662255106 414700459 /nfs/dbraw/zinc/70/04/59/414700459.db2.gz WMEFQOPQKBNSQJ-ZIAGYGMSSA-N 2 2 283.416 0.459 20 0 CCADLP CC(C)C(=O)NC[C@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662255106 414700460 /nfs/dbraw/zinc/70/04/60/414700460.db2.gz WMEFQOPQKBNSQJ-ZIAGYGMSSA-N 2 2 283.416 0.459 20 0 CCADLP COCCOC1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662255460 414700619 /nfs/dbraw/zinc/70/06/19/414700619.db2.gz PORKDRXVERZMPN-ZDUSSCGKSA-N 2 2 258.362 0.102 20 0 CCADLP C[C@@H](O)C[N@H+](C[C@@H]1C[NH2+]CCO1)C1CCCCC1 ZINC000662256093 414700684 /nfs/dbraw/zinc/70/06/84/414700684.db2.gz FWQNOMGGUXGMRR-OCCSQVGLSA-N 2 2 256.390 0.990 20 0 CCADLP C[C@@H](O)C[N@@H+](C[C@@H]1C[NH2+]CCO1)C1CCCCC1 ZINC000662256093 414700685 /nfs/dbraw/zinc/70/06/85/414700685.db2.gz FWQNOMGGUXGMRR-OCCSQVGLSA-N 2 2 256.390 0.990 20 0 CCADLP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000662738949 414751078 /nfs/dbraw/zinc/75/10/78/414751078.db2.gz KIDAEDQYLVWELV-NEPJUHHUSA-N 2 2 274.324 0.314 20 0 CCADLP CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)CC[NH3+])C1 ZINC000662744541 414753031 /nfs/dbraw/zinc/75/30/31/414753031.db2.gz POSQMIMOTNXEMB-OAHLLOKOSA-N 2 2 290.411 0.268 20 0 CCADLP CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)CC[NH3+])C1 ZINC000662744541 414753037 /nfs/dbraw/zinc/75/30/37/414753037.db2.gz POSQMIMOTNXEMB-OAHLLOKOSA-N 2 2 290.411 0.268 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)[C@@H]2C[NH2+]CCO2)CC1(C)C ZINC000662757383 414766693 /nfs/dbraw/zinc/76/66/93/414766693.db2.gz LPRWARBTAAAOKE-QWRGUYRKSA-N 2 2 278.356 0.318 20 0 CCADLP C[N@@H+]1CCN(C(=O)c2cncc3ccccc32)[C@H](C[NH3+])C1 ZINC000662427647 414717353 /nfs/dbraw/zinc/71/73/53/414717353.db2.gz AEXQVTHKAPMAEM-CYBMUJFWSA-N 2 2 284.363 0.950 20 0 CCADLP C[N@H+]1CCN(C(=O)c2cncc3ccccc32)[C@H](C[NH3+])C1 ZINC000662427647 414717354 /nfs/dbraw/zinc/71/73/54/414717354.db2.gz AEXQVTHKAPMAEM-CYBMUJFWSA-N 2 2 284.363 0.950 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000662443180 414718626 /nfs/dbraw/zinc/71/86/26/414718626.db2.gz DSUDRDGMIBFBEM-NSHDSACASA-N 2 2 257.378 0.211 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000662443180 414718627 /nfs/dbraw/zinc/71/86/27/414718627.db2.gz DSUDRDGMIBFBEM-NSHDSACASA-N 2 2 257.378 0.211 20 0 CCADLP C[NH+]1CCN(C(=O)c2cc3c(s2)CC[NH2+]C3)CC1 ZINC000662523245 414725304 /nfs/dbraw/zinc/72/53/04/414725304.db2.gz KTKODXMPYPRVOK-UHFFFAOYSA-N 2 2 265.382 0.781 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000662526511 414725560 /nfs/dbraw/zinc/72/55/60/414725560.db2.gz GCTQOELOFUQKHF-SECBINFHSA-N 2 2 283.376 0.481 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662584070 414730233 /nfs/dbraw/zinc/73/02/33/414730233.db2.gz KYEJUAJIYOZAED-FVCCEPFGSA-N 2 2 271.405 0.598 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662584070 414730234 /nfs/dbraw/zinc/73/02/34/414730234.db2.gz KYEJUAJIYOZAED-FVCCEPFGSA-N 2 2 271.405 0.598 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000662586165 414730664 /nfs/dbraw/zinc/73/06/64/414730664.db2.gz POWIEOKANLNSOC-LALPHHSUSA-N 2 2 292.383 0.901 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000662586165 414730665 /nfs/dbraw/zinc/73/06/65/414730665.db2.gz POWIEOKANLNSOC-LALPHHSUSA-N 2 2 292.383 0.901 20 0 CCADLP C[C@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccccn1 ZINC000662604092 414731916 /nfs/dbraw/zinc/73/19/16/414731916.db2.gz CEQIDUXQQGIZKZ-VXGBXAGGSA-N 2 2 264.373 0.580 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662629128 414734469 /nfs/dbraw/zinc/73/44/69/414734469.db2.gz BSBOXZRYUXTRDV-XQQFMLRXSA-N 2 2 271.405 0.585 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662629128 414734470 /nfs/dbraw/zinc/73/44/70/414734470.db2.gz BSBOXZRYUXTRDV-XQQFMLRXSA-N 2 2 271.405 0.585 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000662633670 414735254 /nfs/dbraw/zinc/73/52/54/414735254.db2.gz NIEISJOGHCUOSM-CQSZACIVSA-N 3 2 272.437 0.504 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000662633670 414735255 /nfs/dbraw/zinc/73/52/55/414735255.db2.gz NIEISJOGHCUOSM-CQSZACIVSA-N 3 2 272.437 0.504 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)c2ccc(C[NH3+])o2)[C@@H](C)CO1 ZINC000662632282 414735582 /nfs/dbraw/zinc/73/55/82/414735582.db2.gz ZUKVHIFLGNGHQB-QWRGUYRKSA-N 2 2 281.356 0.577 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)c2ccc(C[NH3+])o2)[C@@H](C)CO1 ZINC000662632282 414735583 /nfs/dbraw/zinc/73/55/83/414735583.db2.gz ZUKVHIFLGNGHQB-QWRGUYRKSA-N 2 2 281.356 0.577 20 0 CCADLP [NH3+][C@H](C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)C1CCC1 ZINC000662656986 414737674 /nfs/dbraw/zinc/73/76/74/414737674.db2.gz VRXAAARIXZWOEM-OLZOCXBDSA-N 2 2 267.373 0.047 20 0 CCADLP Cc1cn2cc(NC(=O)[C@@H]3CCO[C@@H]3C[NH3+])ccc2[nH+]1 ZINC000662712398 414745361 /nfs/dbraw/zinc/74/53/61/414745361.db2.gz RVSWWVGDFZHXDG-VXGBXAGGSA-N 2 2 274.324 0.945 20 0 CCADLP Cc1nc(N2CCN(C(=O)CC3([NH3+])CC3)CC2)cc[nH+]1 ZINC000662795732 414800748 /nfs/dbraw/zinc/80/07/48/414800748.db2.gz ZAULHADDWILHDL-UHFFFAOYSA-N 2 2 275.356 0.315 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662835427 414827870 /nfs/dbraw/zinc/82/78/70/414827870.db2.gz OBKIONWHNDGWMC-IHRRRGAJSA-N 3 2 282.432 0.399 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662835427 414827877 /nfs/dbraw/zinc/82/78/77/414827877.db2.gz OBKIONWHNDGWMC-IHRRRGAJSA-N 3 2 282.432 0.399 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2[NH2+]CCCC2(C)C)[C@H](C)CO1 ZINC000662859473 414851522 /nfs/dbraw/zinc/85/15/22/414851522.db2.gz NGEMDUWTFUNYRR-MCIONIFRSA-N 2 2 297.443 0.990 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2[NH2+]CCCC2(C)C)[C@H](C)CO1 ZINC000662859473 414851526 /nfs/dbraw/zinc/85/15/26/414851526.db2.gz NGEMDUWTFUNYRR-MCIONIFRSA-N 2 2 297.443 0.990 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000662966495 414921356 /nfs/dbraw/zinc/92/13/56/414921356.db2.gz YUMOFWJMEBOUBA-JTQLQIEISA-N 2 2 259.313 0.605 20 0 CCADLP C[NH2+]C[C@@H](C)[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000663515063 415082612 /nfs/dbraw/zinc/08/26/12/415082612.db2.gz ZFZXMLPVBKQDMQ-SNVBAGLBSA-N 2 2 261.325 0.480 20 0 CCADLP Cc1cc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)on1 ZINC000663868037 415155797 /nfs/dbraw/zinc/15/57/97/415155797.db2.gz OKMOHZKWOLMMBJ-UHFFFAOYSA-N 2 2 297.403 0.666 20 0 CCADLP Cc1cc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)on1 ZINC000663868037 415155802 /nfs/dbraw/zinc/15/58/02/415155802.db2.gz OKMOHZKWOLMMBJ-UHFFFAOYSA-N 2 2 297.403 0.666 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000043512454 175060395 /nfs/dbraw/zinc/06/03/95/175060395.db2.gz QTVRSYFADKPPMA-CQSZACIVSA-N 2 2 259.353 0.647 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1cccnn1 ZINC000664757527 415466539 /nfs/dbraw/zinc/46/65/39/415466539.db2.gz ABKDSISREYAVJB-UHFFFAOYSA-N 2 2 294.403 0.159 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1cccnn1 ZINC000664757527 415466546 /nfs/dbraw/zinc/46/65/46/415466546.db2.gz ABKDSISREYAVJB-UHFFFAOYSA-N 2 2 294.403 0.159 20 0 CCADLP C[C@H]1C[C@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c2[nH+]ccn21 ZINC000665049004 415518693 /nfs/dbraw/zinc/51/86/93/415518693.db2.gz ZLVJDFPNUHAPMJ-BJDJZHNGSA-N 2 2 293.371 0.205 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[NH+](C)C ZINC000665110408 415539012 /nfs/dbraw/zinc/53/90/12/415539012.db2.gz AWMSGKRIYFSCHO-GHMZBOCLSA-N 2 2 250.346 0.592 20 0 CCADLP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000665275992 415588085 /nfs/dbraw/zinc/58/80/85/415588085.db2.gz WQCAJZFMFOUQDS-NWANDNLSSA-N 3 2 267.417 0.957 20 0 CCADLP O=C([C@H]1CSC[NH2+]1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000074892598 176629663 /nfs/dbraw/zinc/62/96/63/176629663.db2.gz XNIVDDUBFDFKRX-SNVBAGLBSA-N 2 2 266.370 0.778 20 0 CCADLP Cc1ccc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000020054932 544418562 /nfs/dbraw/zinc/41/85/62/544418562.db2.gz LDQXAAOAYAMHIK-UHFFFAOYSA-N 2 2 261.369 0.859 20 0 CCADLP C[C@H]1[NH2+]CCC[C@H]1NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000333845718 228216815 /nfs/dbraw/zinc/21/68/15/228216815.db2.gz WENURNOAFGGYQT-CHWSQXEVSA-N 2 2 296.415 0.291 20 0 CCADLP C[C@@]1(C(=O)N2CC[NH+](Cc3ccccn3)CC2)CCC[NH2+]1 ZINC000079516776 544474236 /nfs/dbraw/zinc/47/42/36/544474236.db2.gz AOXMAPSLRFLYHE-INIZCTEOSA-N 2 2 288.395 0.868 20 0 CCADLP CC(C)([NH3+])CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000084162648 544490570 /nfs/dbraw/zinc/49/05/70/544490570.db2.gz DVIGOXXLYDALSK-UHFFFAOYSA-N 2 2 262.357 0.858 20 0 CCADLP CCc1nn(C)cc1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000092414970 544534598 /nfs/dbraw/zinc/53/45/98/544534598.db2.gz KMGCNNQPNGIQQR-CYBMUJFWSA-N 2 2 254.378 0.385 20 0 CCADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)o2)C1 ZINC000088539400 544508973 /nfs/dbraw/zinc/50/89/73/544508973.db2.gz MHSZBFHOZIWUTC-JTQLQIEISA-N 2 2 287.385 0.358 20 0 CCADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)o2)C1 ZINC000088539400 544508974 /nfs/dbraw/zinc/50/89/74/544508974.db2.gz MHSZBFHOZIWUTC-JTQLQIEISA-N 2 2 287.385 0.358 20 0 CCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)C[NH3+])CC1 ZINC000098135821 544556376 /nfs/dbraw/zinc/55/63/76/544556376.db2.gz ARBGEWKEDLOVGB-UHFFFAOYSA-N 2 2 277.368 0.607 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCC[NH+]1CCOCC1 ZINC000111445607 544561671 /nfs/dbraw/zinc/56/16/71/544561671.db2.gz IVTCFXNLUFSMGF-CQSZACIVSA-N 2 2 298.431 0.492 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCC[NH+]1CCOCC1 ZINC000111445607 544561674 /nfs/dbraw/zinc/56/16/74/544561674.db2.gz IVTCFXNLUFSMGF-CQSZACIVSA-N 2 2 298.431 0.492 20 0 CCADLP C[C@@H](O)CNc1cc(NC[C@H]2COCC[N@@H+]2C)nc[nH+]1 ZINC000624621162 419421782 /nfs/dbraw/zinc/42/17/82/419421782.db2.gz VTQIOYUBXVECFP-MNOVXSKESA-N 2 2 281.360 0.012 20 0 CCADLP C[C@@H](O)CNc1cc(NC[C@H]2COCC[N@H+]2C)nc[nH+]1 ZINC000624621162 419421790 /nfs/dbraw/zinc/42/17/90/419421790.db2.gz VTQIOYUBXVECFP-MNOVXSKESA-N 2 2 281.360 0.012 20 0 CCADLP Cn1ncc2c1nc(N)[nH+]c2N1CCC(C[NH3+])CC1 ZINC000634808104 419510329 /nfs/dbraw/zinc/51/03/29/419510329.db2.gz JMZJUXTVSOUNIX-UHFFFAOYSA-N 2 2 261.333 0.121 20 0 CCADLP C[C@@H](CNC(=O)CC1([NH3+])CCC1)Cn1cc[nH+]c1 ZINC000165588670 544723284 /nfs/dbraw/zinc/72/32/84/544723284.db2.gz HZFREYABOZYKTI-NSHDSACASA-N 2 2 250.346 0.907 20 0 CCADLP Cc1c[nH+]ccc1NC[C@H](O)C[NH+]1CCOCC1 ZINC000191977313 544799054 /nfs/dbraw/zinc/79/90/54/544799054.db2.gz DFGBLMRZPVTOSG-LBPRGKRZSA-N 2 2 251.330 0.495 20 0 CCADLP CCS(=O)(=O)CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226873735 544831400 /nfs/dbraw/zinc/83/14/00/544831400.db2.gz GOYJSOURBQORDS-NWDGAFQWSA-N 2 2 262.419 0.884 20 0 CCADLP CCS(=O)(=O)CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226873735 544831405 /nfs/dbraw/zinc/83/14/05/544831405.db2.gz GOYJSOURBQORDS-NWDGAFQWSA-N 2 2 262.419 0.884 20 0 CCADLP Cc1cc(CO)cc(N2CCC[N@H+](CCO)CC2)[nH+]1 ZINC000227369729 544833904 /nfs/dbraw/zinc/83/39/04/544833904.db2.gz CJJUSUDERJAIAL-UHFFFAOYSA-N 2 2 265.357 0.387 20 0 CCADLP Cc1cc(CO)cc(N2CCC[N@@H+](CCO)CC2)[nH+]1 ZINC000227369729 544833907 /nfs/dbraw/zinc/83/39/07/544833907.db2.gz CJJUSUDERJAIAL-UHFFFAOYSA-N 2 2 265.357 0.387 20 0 CCADLP COc1cc[nH+]c(CN2CCO[C@H](C[NH3+])C2)c1OC ZINC000232193412 544863141 /nfs/dbraw/zinc/86/31/41/544863141.db2.gz HABXDOYSMNCOKY-SNVBAGLBSA-N 2 2 267.329 0.258 20 0 CCADLP COc1cc[nH+]c(CN(C)[C@@H]2CC[NH2+]C2)c1OC ZINC000232197906 544863159 /nfs/dbraw/zinc/86/31/59/544863159.db2.gz HKFYTGOCLVQWAA-SNVBAGLBSA-N 2 2 251.330 0.893 20 0 CCADLP Cc1nc(NC[C@H](O)C[NH+]2CCCCC2)nc(N(C)C)[nH+]1 ZINC000488420471 420308654 /nfs/dbraw/zinc/30/86/54/420308654.db2.gz WFYOYLSFXZGBDH-LBPRGKRZSA-N 2 2 294.403 0.505 20 0 CCADLP Cc1nc(N(C)C)nc(NC[C@H](O)C[NH+]2CCCCC2)[nH+]1 ZINC000488420471 420308660 /nfs/dbraw/zinc/30/86/60/420308660.db2.gz WFYOYLSFXZGBDH-LBPRGKRZSA-N 2 2 294.403 0.505 20 0 CCADLP C[NH2+]CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000237211417 544892553 /nfs/dbraw/zinc/89/25/53/544892553.db2.gz FLWIQACBVLSUMC-CABCVRRESA-N 2 2 289.379 0.318 20 0 CCADLP C[NH2+]CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000237211417 544892558 /nfs/dbraw/zinc/89/25/58/544892558.db2.gz FLWIQACBVLSUMC-CABCVRRESA-N 2 2 289.379 0.318 20 0 CCADLP CN(C(=O)CCc1c[nH+]c[nH]1)[C@H]1CCC[N@H+](C)C1 ZINC000276592197 544953176 /nfs/dbraw/zinc/95/31/76/544953176.db2.gz NECGNWAQXAPDHS-LBPRGKRZSA-N 2 2 250.346 0.895 20 0 CCADLP CN(C(=O)CCc1c[nH+]c[nH]1)[C@H]1CCC[N@@H+](C)C1 ZINC000276592197 544953180 /nfs/dbraw/zinc/95/31/80/544953180.db2.gz NECGNWAQXAPDHS-LBPRGKRZSA-N 2 2 250.346 0.895 20 0 CCADLP CN(C(=O)CCc1c[nH]c[nH+]1)[C@H]1CCC[N@H+](C)C1 ZINC000276592197 544953185 /nfs/dbraw/zinc/95/31/85/544953185.db2.gz NECGNWAQXAPDHS-LBPRGKRZSA-N 2 2 250.346 0.895 20 0 CCADLP CN(C(=O)CCc1c[nH]c[nH+]1)[C@H]1CCC[N@@H+](C)C1 ZINC000276592197 544953187 /nfs/dbraw/zinc/95/31/87/544953187.db2.gz NECGNWAQXAPDHS-LBPRGKRZSA-N 2 2 250.346 0.895 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)NCc1c[nH+]cn1C ZINC000352731146 545070154 /nfs/dbraw/zinc/07/01/54/545070154.db2.gz RVMJZVLFOOQYPQ-UHFFFAOYSA-N 2 2 274.390 0.181 20 0 CCADLP Cc1cc(NC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)c(C)c[nH+]1 ZINC000520976887 265133069 /nfs/dbraw/zinc/13/30/69/265133069.db2.gz OEDGRJNDTOQDHM-ZDUSSCGKSA-N 2 2 292.383 0.651 20 0 CCADLP Cc1cc(NC(=O)N2CC[N@H+](CCO)C[C@@H]2C)c(C)c[nH+]1 ZINC000520976887 265133071 /nfs/dbraw/zinc/13/30/71/265133071.db2.gz OEDGRJNDTOQDHM-ZDUSSCGKSA-N 2 2 292.383 0.651 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000336802311 275392250 /nfs/dbraw/zinc/39/22/50/275392250.db2.gz UAKDXSLPEZSOSJ-OAHLLOKOSA-N 2 2 267.417 0.879 20 0 CCADLP CC1(C)CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC[NH2+]1 ZINC000334302091 275840875 /nfs/dbraw/zinc/84/08/75/275840875.db2.gz ZMBNLAOBMHRFDA-NSHDSACASA-N 2 2 262.357 0.656 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@H]1CC[NH2+]CC1(F)F)[C@@H](C)[NH3+] ZINC000423690886 276012875 /nfs/dbraw/zinc/01/28/75/276012875.db2.gz DVDUWTRAKCWQRU-MXWKQRLJSA-N 2 2 277.359 0.967 20 0 CCADLP CCC[NH2+]CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000423464795 276017567 /nfs/dbraw/zinc/01/75/67/276017567.db2.gz QVFXNHHTPCDWGX-CQSZACIVSA-N 2 2 283.416 0.746 20 0 CCADLP CCC[NH2+]CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000423464795 276017568 /nfs/dbraw/zinc/01/75/68/276017568.db2.gz QVFXNHHTPCDWGX-CQSZACIVSA-N 2 2 283.416 0.746 20 0 CCADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000430576490 276037045 /nfs/dbraw/zinc/03/70/45/276037045.db2.gz XNGRJAJULOEMMD-SCRDCRAPSA-N 2 2 271.405 0.585 20 0 CCADLP CC[NH+]1CCC([NH2+][C@@H]2CCC(=O)N(C)C2=O)CC1 ZINC000090023607 276151376 /nfs/dbraw/zinc/15/13/76/276151376.db2.gz FVZRZSKCSDDKPN-LLVKDONJSA-N 2 2 253.346 0.208 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@](C)(O)C3CC3)C2)CC1 ZINC000367639553 277028920 /nfs/dbraw/zinc/02/89/20/277028920.db2.gz WOHXGXSTVFSXML-BBRMVZONSA-N 2 2 295.427 0.432 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@](C)(O)C3CC3)C2)CC1 ZINC000367639553 277028921 /nfs/dbraw/zinc/02/89/21/277028921.db2.gz WOHXGXSTVFSXML-BBRMVZONSA-N 2 2 295.427 0.432 20 0 CCADLP COC(=O)C[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351715884 277065275 /nfs/dbraw/zinc/06/52/75/277065275.db2.gz KWBVFXFHEYBFGQ-STQMWFEESA-N 2 2 270.373 0.469 20 0 CCADLP COC(=O)C[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351715884 277065277 /nfs/dbraw/zinc/06/52/77/277065277.db2.gz KWBVFXFHEYBFGQ-STQMWFEESA-N 2 2 270.373 0.469 20 0 CCADLP COC(=O)C[C@@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351715884 277065278 /nfs/dbraw/zinc/06/52/78/277065278.db2.gz KWBVFXFHEYBFGQ-STQMWFEESA-N 2 2 270.373 0.469 20 0 CCADLP COC(=O)C[C@@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351715884 277065279 /nfs/dbraw/zinc/06/52/79/277065279.db2.gz KWBVFXFHEYBFGQ-STQMWFEESA-N 2 2 270.373 0.469 20 0 CCADLP C[N@@H+]1CCC[C@@]2(CC[NH+]([C@@H]3CCCNC3=O)C2)C1 ZINC000334324004 277072649 /nfs/dbraw/zinc/07/26/49/277072649.db2.gz KBYLYRFPLJNYPO-TZMCWYRMSA-N 2 2 251.374 0.683 20 0 CCADLP C[N@H+]1CCC[C@@]2(CC[NH+]([C@@H]3CCCNC3=O)C2)C1 ZINC000334324004 277072650 /nfs/dbraw/zinc/07/26/50/277072650.db2.gz KBYLYRFPLJNYPO-TZMCWYRMSA-N 2 2 251.374 0.683 20 0 CCADLP C[NH+]1CCC[C@@]2(CC[N@@H+]([C@@H]3CCCNC3=O)C2)C1 ZINC000334324004 277072651 /nfs/dbraw/zinc/07/26/51/277072651.db2.gz KBYLYRFPLJNYPO-TZMCWYRMSA-N 2 2 251.374 0.683 20 0 CCADLP C[NH+]1CCC[C@@]2(CC[N@H+]([C@@H]3CCCNC3=O)C2)C1 ZINC000334324004 277072653 /nfs/dbraw/zinc/07/26/53/277072653.db2.gz KBYLYRFPLJNYPO-TZMCWYRMSA-N 2 2 251.374 0.683 20 0 CCADLP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358255939 277159039 /nfs/dbraw/zinc/15/90/39/277159039.db2.gz RCTVMZZACDEHDW-GXTWGEPZSA-N 2 2 264.373 0.454 20 0 CCADLP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358255939 277159040 /nfs/dbraw/zinc/15/90/40/277159040.db2.gz RCTVMZZACDEHDW-GXTWGEPZSA-N 2 2 264.373 0.454 20 0 CCADLP CC(C)n1cc[nH+]c1CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352509178 278135329 /nfs/dbraw/zinc/13/53/29/278135329.db2.gz JTADDOKETUAJDX-CQSZACIVSA-N 2 2 277.416 0.944 20 0 CCADLP CS[C@H]1CCCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093203352 278160934 /nfs/dbraw/zinc/16/09/34/278160934.db2.gz LIPNBLCHBBQSEX-ZDUSSCGKSA-N 2 2 285.457 0.978 20 0 CCADLP CS[C@H]1CCCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093203352 278160936 /nfs/dbraw/zinc/16/09/36/278160936.db2.gz LIPNBLCHBBQSEX-ZDUSSCGKSA-N 2 2 285.457 0.978 20 0 CCADLP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)C[NH+]1CCOCC1 ZINC000153215740 278210965 /nfs/dbraw/zinc/21/09/65/278210965.db2.gz JIRSPVMYVBILSG-ILXRZTDVSA-N 3 2 269.433 0.885 20 0 CCADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)C[NH+]1CCOCC1 ZINC000153215740 278210966 /nfs/dbraw/zinc/21/09/66/278210966.db2.gz JIRSPVMYVBILSG-ILXRZTDVSA-N 3 2 269.433 0.885 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]([NH3+])C1CCOCC1)Cn1cc[nH+]c1 ZINC000337819764 278279151 /nfs/dbraw/zinc/27/91/51/278279151.db2.gz OKNGOPXIDOMVST-AAEUAGOBSA-N 2 2 280.372 0.389 20 0 CCADLP C[C@@H](Nc1nc(N(C)C)cc[nH+]1)[C@H]1C[N@H+](C)CCO1 ZINC000154782525 278390216 /nfs/dbraw/zinc/39/02/16/278390216.db2.gz CHCJTXVQPLIEJX-GHMZBOCLSA-N 2 2 265.361 0.674 20 0 CCADLP C[C@@H](Nc1nc(N(C)C)cc[nH+]1)[C@H]1C[N@@H+](C)CCO1 ZINC000154782525 278390217 /nfs/dbraw/zinc/39/02/17/278390217.db2.gz CHCJTXVQPLIEJX-GHMZBOCLSA-N 2 2 265.361 0.674 20 0 CCADLP CCN(C)C(=O)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000369187571 279017921 /nfs/dbraw/zinc/01/79/21/279017921.db2.gz JYBGNBUZMBREDX-HNNXBMFYSA-N 2 2 296.459 0.567 20 0 CCADLP CCN(C)C(=O)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000369187571 279017922 /nfs/dbraw/zinc/01/79/22/279017922.db2.gz JYBGNBUZMBREDX-HNNXBMFYSA-N 2 2 296.459 0.567 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000178862275 279176690 /nfs/dbraw/zinc/17/66/90/279176690.db2.gz RUQPKWLODUIALO-HZSPNIEDSA-N 2 2 283.416 0.539 20 0 CCADLP CC[N@H+](CCNC(=O)NC[C@H]1CN(C)CC[NH+]1C)C1CC1 ZINC000348382927 279199742 /nfs/dbraw/zinc/19/97/42/279199742.db2.gz HZFWEIQQAJBSCY-AWEZNQCLSA-N 2 2 297.447 0.016 20 0 CCADLP CC[N@@H+](CCNC(=O)NC[C@H]1CN(C)CC[NH+]1C)C1CC1 ZINC000348382927 279199744 /nfs/dbraw/zinc/19/97/44/279199744.db2.gz HZFWEIQQAJBSCY-AWEZNQCLSA-N 2 2 297.447 0.016 20 0 CCADLP CC[NH+](CCNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)C1CC1 ZINC000348382927 279199746 /nfs/dbraw/zinc/19/97/46/279199746.db2.gz HZFWEIQQAJBSCY-AWEZNQCLSA-N 2 2 297.447 0.016 20 0 CCADLP CC[NH+](CCNC(=O)NC[C@H]1CN(C)CC[N@H+]1C)C1CC1 ZINC000348382927 279199748 /nfs/dbraw/zinc/19/97/48/279199748.db2.gz HZFWEIQQAJBSCY-AWEZNQCLSA-N 2 2 297.447 0.016 20 0 CCADLP CC[NH+]1CCN(CCC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422871065 279357422 /nfs/dbraw/zinc/35/74/22/279357422.db2.gz ZQQPUEJBSNMKOD-GJZGRUSLSA-N 3 2 268.449 0.602 20 0 CCADLP O=C(NCCCNc1cccc[nH+]1)N[C@H]1CCC[NH2+]C1 ZINC000417074127 279839633 /nfs/dbraw/zinc/83/96/33/279839633.db2.gz IQRTZCJNPXTUOK-LBPRGKRZSA-N 2 2 277.372 0.935 20 0 CCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000349131650 280011088 /nfs/dbraw/zinc/01/10/88/280011088.db2.gz QSKBARIMTNDDEJ-CABCVRRESA-N 2 2 296.459 0.421 20 0 CCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000349131650 280011091 /nfs/dbraw/zinc/01/10/91/280011091.db2.gz QSKBARIMTNDDEJ-CABCVRRESA-N 2 2 296.459 0.421 20 0 CCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)NCC(F)(F)F ZINC000430552398 280107203 /nfs/dbraw/zinc/10/72/03/280107203.db2.gz BFKGSBOFZCZPQL-SECBINFHSA-N 2 2 255.284 0.628 20 0 CCADLP OC1(C[NH+]2CCOCC2)CC[NH+](C/C=C/Cl)CC1 ZINC000374787560 280399958 /nfs/dbraw/zinc/39/99/58/280399958.db2.gz IBXACTLSNIGEMP-DAFODLJHSA-N 2 2 274.792 0.898 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccoc1C ZINC000382328161 545084874 /nfs/dbraw/zinc/08/48/74/545084874.db2.gz TTZHMNRBUUCUEA-AWEZNQCLSA-N 2 2 270.373 0.959 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccoc1C ZINC000382328161 545084875 /nfs/dbraw/zinc/08/48/75/545084875.db2.gz TTZHMNRBUUCUEA-AWEZNQCLSA-N 2 2 270.373 0.959 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccoc1C ZINC000382328161 545084876 /nfs/dbraw/zinc/08/48/76/545084876.db2.gz TTZHMNRBUUCUEA-AWEZNQCLSA-N 2 2 270.373 0.959 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccoc1C ZINC000382328161 545084877 /nfs/dbraw/zinc/08/48/77/545084877.db2.gz TTZHMNRBUUCUEA-AWEZNQCLSA-N 2 2 270.373 0.959 20 0 CCADLP Cc1nc2[nH]ccc2c(NC[C@@H](O)C[NH+]2CCCCC2)[nH+]1 ZINC000433781080 282003911 /nfs/dbraw/zinc/00/39/11/282003911.db2.gz CRHZWCDAFPDVIA-GFCCVEGCSA-N 2 2 289.383 0.947 20 0 CCADLP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420358797 289316480 /nfs/dbraw/zinc/31/64/80/289316480.db2.gz UYPBEDQGCAODRW-YVECIDJPSA-N 2 2 271.405 0.131 20 0 CCADLP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420358797 289316485 /nfs/dbraw/zinc/31/64/85/289316485.db2.gz UYPBEDQGCAODRW-YVECIDJPSA-N 2 2 271.405 0.131 20 0 CCADLP C[C@H](CC(C)(C)O)[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423149688 289431065 /nfs/dbraw/zinc/43/10/65/289431065.db2.gz AWSHDJDDKAFIIM-RTXFEEFZSA-N 2 2 256.390 0.893 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000416869586 289770077 /nfs/dbraw/zinc/77/00/77/289770077.db2.gz LCKXWRIYQBGIMG-JTQLQIEISA-N 2 2 261.329 0.871 20 0 CCADLP C[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422925266 290038749 /nfs/dbraw/zinc/03/87/49/290038749.db2.gz ZYHQPRLLJXHPKW-GVXVVHGQSA-N 2 2 251.374 0.870 20 0 CCADLP C[N@@H+]1CC[C@@H]([NH2+]CCN2CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000420397883 290145836 /nfs/dbraw/zinc/14/58/36/290145836.db2.gz GOAQWBUWMKNZHD-IAGOWNOFSA-N 3 2 288.439 0.927 20 0 CCADLP C[N@H+]1CC[C@@H]([NH2+]CCN2CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000420397883 290145839 /nfs/dbraw/zinc/14/58/39/290145839.db2.gz GOAQWBUWMKNZHD-IAGOWNOFSA-N 3 2 288.439 0.927 20 0 CCADLP [NH3+]C1CC[NH+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC1 ZINC000092714162 295213893 /nfs/dbraw/zinc/21/38/93/295213893.db2.gz PUIQHPCIOIRJSS-UONOGXRCSA-N 2 2 281.400 0.580 20 0 CCADLP [NH3+]C1CC[NH+](CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000430618911 295214169 /nfs/dbraw/zinc/21/41/69/295214169.db2.gz XSINLCYHYQMHJO-UHFFFAOYSA-N 2 2 280.372 0.274 20 0 CCADLP [NH3+][C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000422700604 295318443 /nfs/dbraw/zinc/31/84/43/295318443.db2.gz AIVSJIPWLVPASE-OLZOCXBDSA-N 2 2 267.373 0.047 20 0 CCADLP [NH3+][C@@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000422700604 295318446 /nfs/dbraw/zinc/31/84/46/295318446.db2.gz AIVSJIPWLVPASE-OLZOCXBDSA-N 2 2 267.373 0.047 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000284438383 295393363 /nfs/dbraw/zinc/39/33/63/295393363.db2.gz PZHSCQHWSGFHOH-IHVVCDCBSA-N 2 2 278.356 0.386 20 0 CCADLP CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000423196024 295544843 /nfs/dbraw/zinc/54/48/43/295544843.db2.gz UIBYKPKUKJXPRN-SDDRHHMPSA-N 2 2 260.403 0.684 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@](C)(C(N)=O)C(C)C ZINC000394048418 545087796 /nfs/dbraw/zinc/08/77/96/545087796.db2.gz KSXHWVNHRHNSGF-YPMHNXCESA-N 2 2 259.394 0.177 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@](C)(C(N)=O)C(C)C ZINC000394048418 545087797 /nfs/dbraw/zinc/08/77/97/545087797.db2.gz KSXHWVNHRHNSGF-YPMHNXCESA-N 2 2 259.394 0.177 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000369382993 298133050 /nfs/dbraw/zinc/13/30/50/298133050.db2.gz GZOBOQYVCULPIM-SNVBAGLBSA-N 2 2 268.361 0.130 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000369382993 298133052 /nfs/dbraw/zinc/13/30/52/298133052.db2.gz GZOBOQYVCULPIM-SNVBAGLBSA-N 2 2 268.361 0.130 20 0 CCADLP C[C@H](C(=O)NC1CCCCC1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107855413 298144914 /nfs/dbraw/zinc/14/49/14/298144914.db2.gz RPBHPHPZHQWEHB-UPJWGTAASA-N 2 2 265.401 0.975 20 0 CCADLP C[C@H](C(=O)NC1CCCCC1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107855413 298144917 /nfs/dbraw/zinc/14/49/17/298144917.db2.gz RPBHPHPZHQWEHB-UPJWGTAASA-N 2 2 265.401 0.975 20 0 CCADLP C[C@H](CC(C)(C)O)[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423149686 298325685 /nfs/dbraw/zinc/32/56/85/298325685.db2.gz AWSHDJDDKAFIIM-KGYLQXTDSA-N 2 2 256.390 0.893 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422864358 298620284 /nfs/dbraw/zinc/62/02/84/298620284.db2.gz UUVKBWWNVRDUAF-RBSFLKMASA-N 3 2 268.449 0.743 20 0 CCADLP C[C@H]1COCCN1CC[N@H+](C)CCCn1cc[nH+]c1 ZINC000191601875 300344167 /nfs/dbraw/zinc/34/41/67/300344167.db2.gz LDRHFXOPOOTNKO-AWEZNQCLSA-N 2 2 266.389 0.926 20 0 CCADLP Cc1ccccc1[C@H]1C(=O)NCC[N@H+]1CCOCC[NH3+] ZINC000420370070 302213645 /nfs/dbraw/zinc/21/36/45/302213645.db2.gz YIIABQDKEAUUBJ-AWEZNQCLSA-N 2 2 277.368 0.443 20 0 CCADLP Cc1ccccc1[C@H]1C(=O)NCC[N@@H+]1CCOCC[NH3+] ZINC000420370070 302213648 /nfs/dbraw/zinc/21/36/48/302213648.db2.gz YIIABQDKEAUUBJ-AWEZNQCLSA-N 2 2 277.368 0.443 20 0 CCADLP COc1cc(C)nc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1 ZINC000358169153 533702184 /nfs/dbraw/zinc/70/21/84/533702184.db2.gz QSSSDWOJLUOOLU-CQSZACIVSA-N 2 2 265.357 0.555 20 0 CCADLP COc1cc(C)nc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000358169153 533702194 /nfs/dbraw/zinc/70/21/94/533702194.db2.gz QSSSDWOJLUOOLU-CQSZACIVSA-N 2 2 265.357 0.555 20 0 CCADLP CN(C(=O)[C@@H]([NH3+])c1cscn1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000575991062 327006945 /nfs/dbraw/zinc/00/69/45/327006945.db2.gz HMYMQVCJTRMDIW-PWSUYJOCSA-N 2 2 280.397 0.838 20 0 CCADLP CN(C(=O)[C@@H]([NH3+])c1cscn1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000575991062 327006947 /nfs/dbraw/zinc/00/69/47/327006947.db2.gz HMYMQVCJTRMDIW-PWSUYJOCSA-N 2 2 280.397 0.838 20 0 CCADLP CC[C@H]([NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H](C)O ZINC000584173160 327057384 /nfs/dbraw/zinc/05/73/84/327057384.db2.gz WPRWQWFGQQSLSN-NDKCEZKHSA-N 2 2 274.405 0.206 20 0 CCADLP CC[C@H]([NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H](C)O ZINC000584173160 327057385 /nfs/dbraw/zinc/05/73/85/327057385.db2.gz WPRWQWFGQQSLSN-NDKCEZKHSA-N 2 2 274.405 0.206 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC2(CCO2)CC1 ZINC000584180518 327060820 /nfs/dbraw/zinc/06/08/20/327060820.db2.gz RGNPLBOGGFGOEO-CYBMUJFWSA-N 2 2 272.389 0.180 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC2(CCO2)CC1 ZINC000584180518 327060821 /nfs/dbraw/zinc/06/08/21/327060821.db2.gz RGNPLBOGGFGOEO-CYBMUJFWSA-N 2 2 272.389 0.180 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000577861982 327284157 /nfs/dbraw/zinc/28/41/57/327284157.db2.gz SPWPDCIDUYTUIW-KGLIPLIRSA-N 2 2 270.348 0.761 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000577861982 327284158 /nfs/dbraw/zinc/28/41/58/327284158.db2.gz SPWPDCIDUYTUIW-KGLIPLIRSA-N 2 2 270.348 0.761 20 0 CCADLP C[C@@H]1CC[C@@H](CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000583371187 327329552 /nfs/dbraw/zinc/32/95/52/327329552.db2.gz JIEAJPBNRUTJNT-UPJWGTAASA-N 2 2 268.405 0.707 20 0 CCADLP C[C@@H]1CC[C@@H](CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000583371187 327329554 /nfs/dbraw/zinc/32/95/54/327329554.db2.gz JIEAJPBNRUTJNT-UPJWGTAASA-N 2 2 268.405 0.707 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](CO)C2CCCCC2)CC1 ZINC000386264542 329173680 /nfs/dbraw/zinc/17/36/80/329173680.db2.gz NMDQZMHHFVAVQI-CQSZACIVSA-N 2 2 283.416 0.291 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1COC ZINC000395996718 329306203 /nfs/dbraw/zinc/30/62/03/329306203.db2.gz ICOUBCSAWRQPEU-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1COC ZINC000395996718 329306204 /nfs/dbraw/zinc/30/62/04/329306204.db2.gz ICOUBCSAWRQPEU-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1COC ZINC000395996718 329306205 /nfs/dbraw/zinc/30/62/05/329306205.db2.gz ICOUBCSAWRQPEU-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@@H]1COC ZINC000395996718 329306206 /nfs/dbraw/zinc/30/62/06/329306206.db2.gz ICOUBCSAWRQPEU-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP COC(=O)c1nn(C)c(C)c1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000583061497 329309201 /nfs/dbraw/zinc/30/92/01/329309201.db2.gz QLKBYHTTXHIYFM-LBPRGKRZSA-N 2 2 294.399 0.947 20 0 CCADLP COC(=O)c1nn(C)c(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000583061497 329309203 /nfs/dbraw/zinc/30/92/03/329309203.db2.gz QLKBYHTTXHIYFM-LBPRGKRZSA-N 2 2 294.399 0.947 20 0 CCADLP CC[NH+](CC)CCN(CCOC)C(=O)Cc1c[nH+]cn1C ZINC000554590235 334441408 /nfs/dbraw/zinc/44/14/08/334441408.db2.gz BKZZYPCSXNJHDU-UHFFFAOYSA-N 2 2 296.415 0.779 20 0 CCADLP COCC[N@H+](C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000553429271 334384433 /nfs/dbraw/zinc/38/44/33/334384433.db2.gz WGCZBXSGZNXTMI-LBPRGKRZSA-N 2 2 280.372 0.140 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000553429271 334384434 /nfs/dbraw/zinc/38/44/34/334384434.db2.gz WGCZBXSGZNXTMI-LBPRGKRZSA-N 2 2 280.372 0.140 20 0 CCADLP [NH3+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000565962254 334612651 /nfs/dbraw/zinc/61/26/51/334612651.db2.gz HTWHLOKISJDHQN-LLVKDONJSA-N 2 2 287.323 0.223 20 0 CCADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C[NH+]1CC(C)(C)C1 ZINC000576476346 335209482 /nfs/dbraw/zinc/20/94/82/335209482.db2.gz HVZYWPWXIJEGFM-AWEZNQCLSA-N 2 2 297.443 0.897 20 0 CCADLP CC[N@H+](C)C[C@H](O)Cn1c2ccccc2[nH+]c1NCCO ZINC000576479015 335210012 /nfs/dbraw/zinc/21/00/12/335210012.db2.gz KGKKOFZGKGQDHH-LBPRGKRZSA-N 2 2 292.383 0.175 20 0 CCADLP CC[N@@H+](C)C[C@H](O)Cn1c2ccccc2[nH+]c1NCCO ZINC000576479015 335210014 /nfs/dbraw/zinc/21/00/14/335210014.db2.gz KGKKOFZGKGQDHH-LBPRGKRZSA-N 2 2 292.383 0.175 20 0 CCADLP Cc1c[nH+]ccc1CC[NH2+]C[C@H](O)Cn1cccn1 ZINC000576628260 335227346 /nfs/dbraw/zinc/22/73/46/335227346.db2.gz SOEXTOKRBJNLAK-AWEZNQCLSA-N 2 2 260.341 0.780 20 0 CCADLP CC[C@@H](C)[NH+]1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000576799514 335249057 /nfs/dbraw/zinc/24/90/57/335249057.db2.gz GUGTXTCKQZOELE-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP COc1c(N)[nH+]cnc1N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000576838156 335254582 /nfs/dbraw/zinc/25/45/82/335254582.db2.gz OYTPFXUTSSMSFN-RKDXNWHRSA-N 2 2 283.401 0.549 20 0 CCADLP C[C@@H]1CCCC[C@H]1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000576847945 335255428 /nfs/dbraw/zinc/25/54/28/335255428.db2.gz JVJSTSUTHBMPMU-FRRDWIJNSA-N 2 2 268.405 0.849 20 0 CCADLP C[C@@H]1CCCC[C@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000576847945 335255429 /nfs/dbraw/zinc/25/54/29/335255429.db2.gz JVJSTSUTHBMPMU-FRRDWIJNSA-N 2 2 268.405 0.849 20 0 CCADLP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000576955829 335269767 /nfs/dbraw/zinc/26/97/67/335269767.db2.gz PQGFTWZGFJORMG-RYUDHWBXSA-N 2 2 253.390 0.879 20 0 CCADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000576955829 335269769 /nfs/dbraw/zinc/26/97/69/335269769.db2.gz PQGFTWZGFJORMG-RYUDHWBXSA-N 2 2 253.390 0.879 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CC(=O)NCc2ccco2)n1C ZINC000576958496 335270182 /nfs/dbraw/zinc/27/01/82/335270182.db2.gz LIMCVLZEDHOWDF-UHFFFAOYSA-N 2 2 262.313 0.728 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CC2=CCCOC2)C[C@@H](C)O1 ZINC000577099631 335300019 /nfs/dbraw/zinc/30/00/19/335300019.db2.gz GPHLRGMQNYMTIM-NFAWXSAZSA-N 2 2 284.400 0.393 20 0 CCADLP C[N@@H+]1CCc2nc(NC(=O)C3([NH3+])CCC3)sc2C1 ZINC000580642805 335309905 /nfs/dbraw/zinc/30/99/05/335309905.db2.gz KCCHOUFRRGCJRD-UHFFFAOYSA-N 2 2 266.370 0.951 20 0 CCADLP C[N@H+]1CCc2nc(NC(=O)C3([NH3+])CCC3)sc2C1 ZINC000580642805 335309906 /nfs/dbraw/zinc/30/99/06/335309906.db2.gz KCCHOUFRRGCJRD-UHFFFAOYSA-N 2 2 266.370 0.951 20 0 CCADLP COc1c(N)[nH+]cnc1NCC[N@@H+]1CCCC[C@@H]1C ZINC000580658168 335314824 /nfs/dbraw/zinc/31/48/24/335314824.db2.gz CQIUUBFPAQCUSU-JTQLQIEISA-N 2 2 265.361 0.776 20 0 CCADLP COc1c(N)[nH+]cnc1NCC[N@H+]1CCCC[C@@H]1C ZINC000580658168 335314826 /nfs/dbraw/zinc/31/48/26/335314826.db2.gz CQIUUBFPAQCUSU-JTQLQIEISA-N 2 2 265.361 0.776 20 0 CCADLP COCc1noc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000577178833 335317371 /nfs/dbraw/zinc/31/73/71/335317371.db2.gz NOMULIBBPFEAIY-HBNTYKKESA-N 2 2 266.345 0.775 20 0 CCADLP COCc1noc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000577178833 335317372 /nfs/dbraw/zinc/31/73/72/335317372.db2.gz NOMULIBBPFEAIY-HBNTYKKESA-N 2 2 266.345 0.775 20 0 CCADLP Cc1ccccc1[C@@H](C[NH+]1CCOCC1)NC1C[NH2+]C1 ZINC000577363085 335342675 /nfs/dbraw/zinc/34/26/75/335342675.db2.gz MZVUYLWOASIPGD-MRXNPFEDSA-N 2 2 275.396 0.930 20 0 CCADLP CCO[C@@H]1COC[C@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000577370291 335343656 /nfs/dbraw/zinc/34/36/56/335343656.db2.gz CAJYQFNUUAFAPY-VXGBXAGGSA-N 2 2 268.361 0.380 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](n2ccnn2)C1 ZINC000577408740 335349780 /nfs/dbraw/zinc/34/97/80/335349780.db2.gz FSZRQUAVLQUBGI-OLZOCXBDSA-N 2 2 267.377 0.228 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](n2ccnn2)C1 ZINC000577408740 335349782 /nfs/dbraw/zinc/34/97/82/335349782.db2.gz FSZRQUAVLQUBGI-OLZOCXBDSA-N 2 2 267.377 0.228 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000577408740 335349783 /nfs/dbraw/zinc/34/97/83/335349783.db2.gz FSZRQUAVLQUBGI-OLZOCXBDSA-N 2 2 267.377 0.228 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000577408740 335349785 /nfs/dbraw/zinc/34/97/85/335349785.db2.gz FSZRQUAVLQUBGI-OLZOCXBDSA-N 2 2 267.377 0.228 20 0 CCADLP [NH3+][C@H]1C[C@@H](C(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000577493831 335358957 /nfs/dbraw/zinc/35/89/57/335358957.db2.gz DWFLZFAQADLHSK-OKILXGFUSA-N 2 2 274.368 0.463 20 0 CCADLP CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000577741592 335395197 /nfs/dbraw/zinc/39/51/97/335395197.db2.gz REWFXEUVBOIVCL-BZPMIXESSA-N 2 2 284.400 0.905 20 0 CCADLP CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000577741592 335395199 /nfs/dbraw/zinc/39/51/99/335395199.db2.gz REWFXEUVBOIVCL-BZPMIXESSA-N 2 2 284.400 0.905 20 0 CCADLP CO[C@H](C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)C1CC1 ZINC000578022936 335463837 /nfs/dbraw/zinc/46/38/37/335463837.db2.gz JLSMBIABQTXSDS-GFCCVEGCSA-N 2 2 250.346 0.957 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000580883850 335978921 /nfs/dbraw/zinc/97/89/21/335978921.db2.gz DJVDDPBMAUIOKW-NEPJUHHUSA-N 2 2 277.372 0.723 20 0 CCADLP Cc1cc(CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc(C)[nH+]1 ZINC000581070645 336003719 /nfs/dbraw/zinc/00/37/19/336003719.db2.gz XQUVOSCGMDALJD-OLZOCXBDSA-N 2 2 263.341 0.821 20 0 CCADLP C(COC[C@@H]1CCCO1)[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000581423338 336074683 /nfs/dbraw/zinc/07/46/83/336074683.db2.gz BRTXIUUVNISGAJ-KKUMJFAQSA-N 2 2 284.400 0.539 20 0 CCADLP C[C@@H](NC(=O)NCC1CC[NH2+]CC1)[C@H](C)[NH+]1CCOCC1 ZINC000581537678 336096731 /nfs/dbraw/zinc/09/67/31/336096731.db2.gz AGOFZPMYTCJJGM-OLZOCXBDSA-N 2 2 298.431 0.394 20 0 CCADLP CO[C@@H]1CC[N@H+](CCn2cc(C)cn2)[C@@H](C[NH3+])C1 ZINC000385355017 336144670 /nfs/dbraw/zinc/14/46/70/336144670.db2.gz HFWSVGKOZWMCOS-CHWSQXEVSA-N 2 2 252.362 0.630 20 0 CCADLP CO[C@@H]1CC[N@@H+](CCn2cc(C)cn2)[C@@H](C[NH3+])C1 ZINC000385355017 336144671 /nfs/dbraw/zinc/14/46/71/336144671.db2.gz HFWSVGKOZWMCOS-CHWSQXEVSA-N 2 2 252.362 0.630 20 0 CCADLP CC(C)(C)[C@H](O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000581892285 336161633 /nfs/dbraw/zinc/16/16/33/336161633.db2.gz HSEIPAQUZSFAIB-LLVKDONJSA-N 2 2 252.362 0.939 20 0 CCADLP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)[C@H]1CCCC[NH2+]1 ZINC000385949886 336163277 /nfs/dbraw/zinc/16/32/77/336163277.db2.gz CMBRVJNOHJTAKA-HUUCEWRRSA-N 3 2 268.449 0.744 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C2CC2)CC[N@@H+]1C ZINC000386183972 336167898 /nfs/dbraw/zinc/16/78/98/336167898.db2.gz UNBTYUOTNZDZQI-MBNYWOFBSA-N 3 2 255.406 0.514 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C2CC2)CC[N@H+]1C ZINC000386183972 336167899 /nfs/dbraw/zinc/16/78/99/336167899.db2.gz UNBTYUOTNZDZQI-MBNYWOFBSA-N 3 2 255.406 0.514 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC[NH+]1C ZINC000386183972 336167901 /nfs/dbraw/zinc/16/79/01/336167901.db2.gz UNBTYUOTNZDZQI-MBNYWOFBSA-N 3 2 255.406 0.514 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC[NH+]1C ZINC000386183972 336167902 /nfs/dbraw/zinc/16/79/02/336167902.db2.gz UNBTYUOTNZDZQI-MBNYWOFBSA-N 3 2 255.406 0.514 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CSC ZINC000386279487 336169879 /nfs/dbraw/zinc/16/98/79/336169879.db2.gz ZHYCNRPVHCANJK-STQMWFEESA-N 2 2 276.446 0.753 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CSC ZINC000386279487 336169881 /nfs/dbraw/zinc/16/98/81/336169881.db2.gz ZHYCNRPVHCANJK-STQMWFEESA-N 2 2 276.446 0.753 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1CSC ZINC000386279487 336169882 /nfs/dbraw/zinc/16/98/82/336169882.db2.gz ZHYCNRPVHCANJK-STQMWFEESA-N 2 2 276.446 0.753 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1CSC ZINC000386279487 336169884 /nfs/dbraw/zinc/16/98/84/336169884.db2.gz ZHYCNRPVHCANJK-STQMWFEESA-N 2 2 276.446 0.753 20 0 CCADLP O[C@@H]1C[C@H]2CN(c3[nH]c4ccccc4[nH+]3)CC[N@@H+]2C1 ZINC000405646911 545092534 /nfs/dbraw/zinc/09/25/34/545092534.db2.gz FAYMJGBLYLEVAL-WDEREUQCSA-N 2 2 258.325 0.818 20 0 CCADLP O[C@@H]1C[C@H]2CN(c3[nH]c4ccccc4[nH+]3)CC[N@H+]2C1 ZINC000405646911 545092535 /nfs/dbraw/zinc/09/25/35/545092535.db2.gz FAYMJGBLYLEVAL-WDEREUQCSA-N 2 2 258.325 0.818 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]Cc1ccc(OC)c(O)c1 ZINC000184542997 521117565 /nfs/dbraw/zinc/11/75/65/521117565.db2.gz JKKNCMRSTIKMCV-UHFFFAOYSA-N 2 2 268.357 0.805 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]Cc1ccc(OC)c(O)c1 ZINC000184542997 521117572 /nfs/dbraw/zinc/11/75/72/521117572.db2.gz JKKNCMRSTIKMCV-UHFFFAOYSA-N 2 2 268.357 0.805 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000417513923 545094098 /nfs/dbraw/zinc/09/40/98/545094098.db2.gz ALLXYYHXOSHGOE-RFQIPJPRSA-N 2 2 298.431 0.665 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000449086060 533797968 /nfs/dbraw/zinc/79/79/68/533797968.db2.gz BOYAPADQSXNOSD-JTQLQIEISA-N 2 2 262.357 0.904 20 0 CCADLP C[C@@H](C[NH3+])NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000418618512 533798432 /nfs/dbraw/zinc/79/84/32/533798432.db2.gz NEOJDNUIEIBFPL-JQWIXIFHSA-N 2 2 264.329 0.592 20 0 CCADLP C[C@@H](CNC(=O)NCc1ccc(N(C)C)[nH+]c1)[NH+](C)C ZINC000454253557 533970276 /nfs/dbraw/zinc/97/02/76/533970276.db2.gz WOAIPAWMORGOOV-NSHDSACASA-N 2 2 279.388 0.897 20 0 CCADLP C[NH+](C)Cc1cnc(CN2CC[NH+](CCO)CC2)s1 ZINC000347608826 536054599 /nfs/dbraw/zinc/05/45/99/536054599.db2.gz CLBRTLWWXMPHAA-UHFFFAOYSA-N 2 2 284.429 0.315 20 0 CCADLP C[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)[NH+]1CCOCC1 ZINC000361713512 534293512 /nfs/dbraw/zinc/29/35/12/534293512.db2.gz HLNSGDPDPWLGOT-ILXRZTDVSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)[NH+]1CCOCC1 ZINC000361713512 534293513 /nfs/dbraw/zinc/29/35/13/534293513.db2.gz HLNSGDPDPWLGOT-ILXRZTDVSA-N 2 2 295.427 0.650 20 0 CCADLP OCCC[NH+]1CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000413106817 534362062 /nfs/dbraw/zinc/36/20/62/534362062.db2.gz OYGKVERQTMPSQA-UHFFFAOYSA-N 2 2 277.372 0.555 20 0 CCADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000365193373 520607069 /nfs/dbraw/zinc/60/70/69/520607069.db2.gz VOZVBNSFSUETFH-CYBMUJFWSA-N 2 2 291.461 0.732 20 0 CCADLP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000365193373 520607077 /nfs/dbraw/zinc/60/70/77/520607077.db2.gz VOZVBNSFSUETFH-CYBMUJFWSA-N 2 2 291.461 0.732 20 0 CCADLP CC[NH+](CC)CCC[N@@H+]1CC[C@H](S(=O)(=O)NC)C1 ZINC000365190528 520610163 /nfs/dbraw/zinc/61/01/63/520610163.db2.gz OUMJKLZHCOQJBQ-LBPRGKRZSA-N 2 2 277.434 0.342 20 0 CCADLP CC[NH+](CC)CCC[N@H+]1CC[C@H](S(=O)(=O)NC)C1 ZINC000365190528 520610168 /nfs/dbraw/zinc/61/01/68/520610168.db2.gz OUMJKLZHCOQJBQ-LBPRGKRZSA-N 2 2 277.434 0.342 20 0 CCADLP c1nc2cnccn2c1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427140725 534537629 /nfs/dbraw/zinc/53/76/29/534537629.db2.gz UQCQCDBUTOMXQV-YPMHNXCESA-N 2 2 257.341 0.913 20 0 CCADLP c1nc2cnccn2c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427140725 534537638 /nfs/dbraw/zinc/53/76/38/534537638.db2.gz UQCQCDBUTOMXQV-YPMHNXCESA-N 2 2 257.341 0.913 20 0 CCADLP Cc1c[nH+]c(CN2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)n1C ZINC000418121697 534550577 /nfs/dbraw/zinc/55/05/77/534550577.db2.gz XKHPVKYZSFQTLU-STQMWFEESA-N 2 2 266.389 0.615 20 0 CCADLP Cc1c[nH+]c(CN2C[C@H](C)[N@H+](CCO)C[C@@H]2C)n1C ZINC000418121697 534550579 /nfs/dbraw/zinc/55/05/79/534550579.db2.gz XKHPVKYZSFQTLU-STQMWFEESA-N 2 2 266.389 0.615 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150750228 521677208 /nfs/dbraw/zinc/67/72/08/521677208.db2.gz UNYAXFBZOMJYNA-ZDUSSCGKSA-N 2 2 289.445 0.343 20 0 CCADLP CCS(=O)(=O)NCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150750228 521677211 /nfs/dbraw/zinc/67/72/11/521677211.db2.gz UNYAXFBZOMJYNA-ZDUSSCGKSA-N 2 2 289.445 0.343 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)NCCn1cc[nH+]c1 ZINC000183368965 522308677 /nfs/dbraw/zinc/30/86/77/522308677.db2.gz QAXDARNHUPNDHB-UHFFFAOYSA-N 2 2 259.313 0.774 20 0 CCADLP CN(C)c1ncc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000357117488 522343493 /nfs/dbraw/zinc/34/34/93/522343493.db2.gz INAWWEQXFAXBCR-STQMWFEESA-N 2 2 261.373 0.584 20 0 CCADLP CN(C)c1ncc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000357117488 522343500 /nfs/dbraw/zinc/34/35/00/522343500.db2.gz INAWWEQXFAXBCR-STQMWFEESA-N 2 2 261.373 0.584 20 0 CCADLP C[N@H+](CCC1CCOCC1)Cc1noc(C[NH3+])n1 ZINC000261668689 522718760 /nfs/dbraw/zinc/71/87/60/522718760.db2.gz HLSBYDQFDXVJHS-UHFFFAOYSA-N 2 2 254.334 0.777 20 0 CCADLP C[N@@H+](CCC1CCOCC1)Cc1noc(C[NH3+])n1 ZINC000261668689 522718768 /nfs/dbraw/zinc/71/87/68/522718768.db2.gz HLSBYDQFDXVJHS-UHFFFAOYSA-N 2 2 254.334 0.777 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261867036 534707548 /nfs/dbraw/zinc/70/75/48/534707548.db2.gz YNQCPFZOIDTCLI-AWEZNQCLSA-N 2 2 282.388 0.296 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261867036 534707556 /nfs/dbraw/zinc/70/75/56/534707556.db2.gz YNQCPFZOIDTCLI-AWEZNQCLSA-N 2 2 282.388 0.296 20 0 CCADLP C[NH+](C)CC1(C(=O)N2CC[NH+](CCO)CC2)CCCCC1 ZINC000358629112 524046862 /nfs/dbraw/zinc/04/68/62/524046862.db2.gz MKHBPUIIHDZZBA-UHFFFAOYSA-N 2 2 297.443 0.635 20 0 CCADLP CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157256896 524077460 /nfs/dbraw/zinc/07/74/60/524077460.db2.gz UWDKOAVIXPFILF-GFCCVEGCSA-N 2 2 282.388 0.392 20 0 CCADLP CNC(=O)NC(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157256896 524077461 /nfs/dbraw/zinc/07/74/61/524077461.db2.gz UWDKOAVIXPFILF-GFCCVEGCSA-N 2 2 282.388 0.392 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000340937924 524565608 /nfs/dbraw/zinc/56/56/08/524565608.db2.gz JTOVKWPXLIQOEL-NWDGAFQWSA-N 2 2 250.346 0.587 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000340937924 524565618 /nfs/dbraw/zinc/56/56/18/524565618.db2.gz JTOVKWPXLIQOEL-NWDGAFQWSA-N 2 2 250.346 0.587 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055090803 524626516 /nfs/dbraw/zinc/62/65/16/524626516.db2.gz WQHONQCGMVYNOE-XQQFMLRXSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]([NH3+])CCC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000070316443 524993971 /nfs/dbraw/zinc/99/39/71/524993971.db2.gz PFTXKAQFSMXNHV-CYBMUJFWSA-N 2 2 276.384 0.853 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNc1cc(NCC2CC2)[nH+]cn1 ZINC000340016506 525126994 /nfs/dbraw/zinc/12/69/94/525126994.db2.gz CFGSJCIRNUONPP-GFCCVEGCSA-N 2 2 291.399 0.853 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNc1cc(NCC2CC2)[nH+]cn1 ZINC000340016506 525127004 /nfs/dbraw/zinc/12/70/04/525127004.db2.gz CFGSJCIRNUONPP-GFCCVEGCSA-N 2 2 291.399 0.853 20 0 CCADLP C[NH+](C)C[C@H]1CN(c2nc[nH+]c3c2OCCN3)CCO1 ZINC000665699906 545103460 /nfs/dbraw/zinc/10/34/60/545103460.db2.gz SMNBNTAPCMTVNK-JTQLQIEISA-N 2 2 279.344 0.048 20 0 CCADLP C[NH+](C)C[C@H]1CN(c2[nH+]cnc3c2OCCN3)CCO1 ZINC000665699906 545103461 /nfs/dbraw/zinc/10/34/61/545103461.db2.gz SMNBNTAPCMTVNK-JTQLQIEISA-N 2 2 279.344 0.048 20 0 CCADLP C[N@@H+]1CCC[C@H](NC(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000665702271 545103845 /nfs/dbraw/zinc/10/38/45/545103845.db2.gz RHORQCXPHVZDGH-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP C[N@H+]1CCC[C@H](NC(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000665702271 545103846 /nfs/dbraw/zinc/10/38/46/545103846.db2.gz RHORQCXPHVZDGH-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(c3nc[nH+]c4c3OCCN4)C[C@@H]21 ZINC000665722091 545105697 /nfs/dbraw/zinc/10/56/97/545105697.db2.gz MNMDCNRCUJCTSO-ZJUUUORDSA-N 2 2 261.329 0.421 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(c3nc[nH+]c4c3OCCN4)C[C@@H]21 ZINC000665722091 545105698 /nfs/dbraw/zinc/10/56/98/545105698.db2.gz MNMDCNRCUJCTSO-ZJUUUORDSA-N 2 2 261.329 0.421 20 0 CCADLP c1cn(CCC[NH+]2CCN(c3ncccn3)CC2)c[nH+]1 ZINC000182616715 526531899 /nfs/dbraw/zinc/53/18/99/526531899.db2.gz FJWCQTVMJPDCJT-UHFFFAOYSA-N 2 2 272.356 0.885 20 0 CCADLP CC(=O)N1CC[C@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425363780 526667180 /nfs/dbraw/zinc/66/71/80/526667180.db2.gz WRWOUXCVPSDNGY-NSHDSACASA-N 2 2 265.361 0.197 20 0 CCADLP Cc1occc1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000666238462 545116866 /nfs/dbraw/zinc/11/68/66/545116866.db2.gz SASGXVQACRESCA-UHFFFAOYSA-N 2 2 251.330 0.452 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CC(=O)NC2CCCC2)n1C ZINC000666269957 545118648 /nfs/dbraw/zinc/11/86/48/545118648.db2.gz BDGXTPWNSUSDNG-UHFFFAOYSA-N 2 2 279.388 0.635 20 0 CCADLP Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)c(C)[nH+]1 ZINC000667262811 545142881 /nfs/dbraw/zinc/14/28/81/545142881.db2.gz NVRAMGKXYJEMBH-LBPRGKRZSA-N 2 2 290.367 0.895 20 0 CCADLP C[NH+]1CCC([N@H+](CCO)Cc2cnn3c2CCC3)CC1 ZINC000667464586 545148083 /nfs/dbraw/zinc/14/80/83/545148083.db2.gz WBDALRTVCWKHOG-UHFFFAOYSA-N 2 2 278.400 0.718 20 0 CCADLP C[NH+]1CCC([N@@H+](CCO)Cc2cnn3c2CCC3)CC1 ZINC000667464586 545148084 /nfs/dbraw/zinc/14/80/84/545148084.db2.gz WBDALRTVCWKHOG-UHFFFAOYSA-N 2 2 278.400 0.718 20 0 CCADLP C[N@H+](CC(=O)NC1CC1)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667486495 545148749 /nfs/dbraw/zinc/14/87/49/545148749.db2.gz YDFFUVSGYYYAMO-UHFFFAOYSA-N 2 2 285.351 0.978 20 0 CCADLP C[N@@H+](CC(=O)NC1CC1)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667486495 545148750 /nfs/dbraw/zinc/14/87/50/545148750.db2.gz YDFFUVSGYYYAMO-UHFFFAOYSA-N 2 2 285.351 0.978 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)Nc1cccc(C[NH3+])c1 ZINC000667729557 545155270 /nfs/dbraw/zinc/15/52/70/545155270.db2.gz MTXIULKHIISCNV-LBPRGKRZSA-N 2 2 292.383 0.988 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)Nc1cccc(C[NH3+])c1 ZINC000667729557 545155271 /nfs/dbraw/zinc/15/52/71/545155271.db2.gz MTXIULKHIISCNV-LBPRGKRZSA-N 2 2 292.383 0.988 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000668163410 545165794 /nfs/dbraw/zinc/16/57/94/545165794.db2.gz SVGJDQOKBJBPFY-NEPJUHHUSA-N 2 2 265.361 0.713 20 0 CCADLP CC(C)(C(=O)N1CC[NH+]2CCC1CC2)[NH+]1CCOCC1 ZINC000367274032 527510372 /nfs/dbraw/zinc/51/03/72/527510372.db2.gz JCZLYCSKXYKIKH-UHFFFAOYSA-N 2 2 281.400 0.404 20 0 CCADLP Cc1[nH+]cc(CN2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)n1C ZINC000668242139 545169354 /nfs/dbraw/zinc/16/93/54/545169354.db2.gz VOBYSEDOFMXQDU-RYUDHWBXSA-N 2 2 266.389 0.615 20 0 CCADLP Cc1[nH+]cc(CN2C[C@H](C)[N@H+](CCO)C[C@@H]2C)n1C ZINC000668242139 545169355 /nfs/dbraw/zinc/16/93/55/545169355.db2.gz VOBYSEDOFMXQDU-RYUDHWBXSA-N 2 2 266.389 0.615 20 0 CCADLP OCC[NH+]1CCN(Cc2cccc3[nH+]ccn32)CC1 ZINC000183370678 527553653 /nfs/dbraw/zinc/55/36/53/527553653.db2.gz YRIFQAKGVPHIOC-UHFFFAOYSA-N 2 2 260.341 0.444 20 0 CCADLP OCCn1ncc2c1CCC[C@H]2[NH2+]Cc1c[nH+]c[nH]1 ZINC000054764975 527577496 /nfs/dbraw/zinc/57/74/96/527577496.db2.gz DJSAIRPTQINNDF-GFCCVEGCSA-N 2 2 261.329 0.766 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000668329971 545173559 /nfs/dbraw/zinc/17/35/59/545173559.db2.gz IISVZUNNBQNASO-QJPTWQEYSA-N 2 2 262.357 0.734 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000668329971 545173560 /nfs/dbraw/zinc/17/35/60/545173560.db2.gz IISVZUNNBQNASO-QJPTWQEYSA-N 2 2 262.357 0.734 20 0 CCADLP COCCC1C[NH+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000668471754 545178929 /nfs/dbraw/zinc/17/89/29/545178929.db2.gz KCCHTYODKFTXEH-UHFFFAOYSA-N 2 2 252.362 0.954 20 0 CCADLP CO[C@@]1(CO)CCC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000668498912 545179260 /nfs/dbraw/zinc/17/92/60/545179260.db2.gz QVBMUIXIFZZGNH-AWEZNQCLSA-N 2 2 282.388 0.459 20 0 CCADLP CO[C@@]1(CO)CCC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000668498912 545179261 /nfs/dbraw/zinc/17/92/61/545179261.db2.gz QVBMUIXIFZZGNH-AWEZNQCLSA-N 2 2 282.388 0.459 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000668704074 545188224 /nfs/dbraw/zinc/18/82/24/545188224.db2.gz POXHUJFXZXLDBI-NSHDSACASA-N 2 2 264.373 0.971 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000668704074 545188225 /nfs/dbraw/zinc/18/82/25/545188225.db2.gz POXHUJFXZXLDBI-NSHDSACASA-N 2 2 264.373 0.971 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000668704074 545188226 /nfs/dbraw/zinc/18/82/26/545188226.db2.gz POXHUJFXZXLDBI-NSHDSACASA-N 2 2 264.373 0.971 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000668704074 545188227 /nfs/dbraw/zinc/18/82/27/545188227.db2.gz POXHUJFXZXLDBI-NSHDSACASA-N 2 2 264.373 0.971 20 0 CCADLP CCn1c[nH+]cc1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668738458 545189462 /nfs/dbraw/zinc/18/94/62/545189462.db2.gz DEPJSUKGSDNELI-HNNXBMFYSA-N 2 2 278.400 0.934 20 0 CCADLP CCn1c[nH+]cc1CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668738458 545189463 /nfs/dbraw/zinc/18/94/63/545189463.db2.gz DEPJSUKGSDNELI-HNNXBMFYSA-N 2 2 278.400 0.934 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]C2CCC(C(N)=O)CC2)[C@@H](C)C1 ZINC000358175653 527989287 /nfs/dbraw/zinc/98/92/87/527989287.db2.gz MKMQSYVEEIVEEZ-WTIISPKJSA-N 2 2 253.390 0.960 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]C2CCC(C(N)=O)CC2)[C@@H](C)C1 ZINC000358175653 527989292 /nfs/dbraw/zinc/98/92/92/527989292.db2.gz MKMQSYVEEIVEEZ-WTIISPKJSA-N 2 2 253.390 0.960 20 0 CCADLP CCOC(=O)[C@H]([NH2+]CCN1CC[NH2+]CC1)[C@@H](C)CC ZINC000420414603 528039428 /nfs/dbraw/zinc/03/94/28/528039428.db2.gz UMPPNSCENMUQHB-QWHCGFSZSA-N 2 2 271.405 0.459 20 0 CCADLP Cc1csc(CCNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])n1 ZINC000669387949 545206407 /nfs/dbraw/zinc/20/64/07/545206407.db2.gz ZAOZPCXSLMUUFJ-LLVKDONJSA-N 2 2 297.428 0.278 20 0 CCADLP Cc1csc(CCNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000669387949 545206408 /nfs/dbraw/zinc/20/64/08/545206408.db2.gz ZAOZPCXSLMUUFJ-LLVKDONJSA-N 2 2 297.428 0.278 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456202856 528088376 /nfs/dbraw/zinc/08/83/76/528088376.db2.gz DZDSSARYCGNHQB-BETUJISGSA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456202856 528088381 /nfs/dbraw/zinc/08/83/81/528088381.db2.gz DZDSSARYCGNHQB-BETUJISGSA-N 2 2 269.389 0.308 20 0 CCADLP Cc1occc1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000669405028 545207416 /nfs/dbraw/zinc/20/74/16/545207416.db2.gz MHNJWDRICTXDAS-LBPRGKRZSA-N 2 2 266.345 0.372 20 0 CCADLP Cc1occc1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000669405028 545207417 /nfs/dbraw/zinc/20/74/17/545207417.db2.gz MHNJWDRICTXDAS-LBPRGKRZSA-N 2 2 266.345 0.372 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)N[C@H]2CCC[NH2+]CC2)CCO1 ZINC000669439331 545208086 /nfs/dbraw/zinc/20/80/86/545208086.db2.gz MNEZEIOKPJQXOS-ZDUSSCGKSA-N 2 2 298.431 0.539 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)N[C@H]2CCC[NH2+]CC2)CCO1 ZINC000669439331 545208087 /nfs/dbraw/zinc/20/80/87/545208087.db2.gz MNEZEIOKPJQXOS-ZDUSSCGKSA-N 2 2 298.431 0.539 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000669457037 545208631 /nfs/dbraw/zinc/20/86/31/545208631.db2.gz BVJDBKLEZAICBT-CYBMUJFWSA-N 2 2 298.431 0.539 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000669457037 545208632 /nfs/dbraw/zinc/20/86/32/545208632.db2.gz BVJDBKLEZAICBT-CYBMUJFWSA-N 2 2 298.431 0.539 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669461679 545208845 /nfs/dbraw/zinc/20/88/45/545208845.db2.gz OECVZWFJVXEMFL-MGPQQGTHSA-N 2 2 296.415 0.101 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669461679 545208846 /nfs/dbraw/zinc/20/88/46/545208846.db2.gz OECVZWFJVXEMFL-MGPQQGTHSA-N 2 2 296.415 0.101 20 0 CCADLP CCn1c[nH+]cc1CN1CC[NH+](C(C)(C)CO)CC1 ZINC000669506532 545211184 /nfs/dbraw/zinc/21/11/84/545211184.db2.gz RTKGLCAMMKCOMJ-UHFFFAOYSA-N 2 2 266.389 0.792 20 0 CCADLP Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1N ZINC000669512609 545211628 /nfs/dbraw/zinc/21/16/28/545211628.db2.gz MLEWMLAXUJITKO-LBPRGKRZSA-N 2 2 262.357 0.292 20 0 CCADLP Cc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1N ZINC000669512609 545211629 /nfs/dbraw/zinc/21/16/29/545211629.db2.gz MLEWMLAXUJITKO-LBPRGKRZSA-N 2 2 262.357 0.292 20 0 CCADLP CC[NH2+]CCNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000418322456 528311023 /nfs/dbraw/zinc/31/10/23/528311023.db2.gz FEPHISUKJWKVPI-ZDUSSCGKSA-N 2 2 278.356 0.854 20 0 CCADLP CC[NH2+]CCNC(=O)NCc1c[nH+]ccc1OC ZINC000418220926 528319262 /nfs/dbraw/zinc/31/92/62/528319262.db2.gz VEPORLVGRUWBSN-UHFFFAOYSA-N 2 2 252.318 0.499 20 0 CCADLP CC(C)[C@@H](C(=O)N(C)CC[NH+]1CCOCC1)[C@H](C)[NH3+] ZINC000423753767 528350483 /nfs/dbraw/zinc/35/04/83/528350483.db2.gz XYAUNKMFOAKSQI-QWHCGFSZSA-N 2 2 271.405 0.396 20 0 CCADLP CCC[NH2+]CCNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000418485505 528488144 /nfs/dbraw/zinc/48/81/44/528488144.db2.gz CKFGTHLMMSLBJF-UHFFFAOYSA-N 2 2 294.403 0.237 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000423860774 528534284 /nfs/dbraw/zinc/53/42/84/528534284.db2.gz AYRRBYLUDMQBBI-DZGCQCFKSA-N 2 2 297.443 0.944 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000423860774 528534289 /nfs/dbraw/zinc/53/42/89/528534289.db2.gz AYRRBYLUDMQBBI-DZGCQCFKSA-N 2 2 297.443 0.944 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000449143196 528551352 /nfs/dbraw/zinc/55/13/52/528551352.db2.gz PLWSMIPDWMBVER-QWHCGFSZSA-N 2 2 299.415 0.470 20 0 CCADLP CC(C)n1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cn1 ZINC000358168076 528566037 /nfs/dbraw/zinc/56/60/37/528566037.db2.gz PYTWIGOWCYDIHL-ZDUSSCGKSA-N 2 2 252.362 0.620 20 0 CCADLP CC(C)n1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cn1 ZINC000358168076 528566046 /nfs/dbraw/zinc/56/60/46/528566046.db2.gz PYTWIGOWCYDIHL-ZDUSSCGKSA-N 2 2 252.362 0.620 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428047898 528686913 /nfs/dbraw/zinc/68/69/13/528686913.db2.gz ZXYOJWSBRBBYEI-IHRRRGAJSA-N 2 2 283.416 0.602 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428047898 528686918 /nfs/dbraw/zinc/68/69/18/528686918.db2.gz ZXYOJWSBRBBYEI-IHRRRGAJSA-N 2 2 283.416 0.602 20 0 CCADLP CCOCC[NH+]1CCN(Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000425325933 528753874 /nfs/dbraw/zinc/75/38/74/528753874.db2.gz NBIGZUPFYVTWAP-UHFFFAOYSA-N 2 2 295.431 0.640 20 0 CCADLP CCCn1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cn1 ZINC000358164108 528845613 /nfs/dbraw/zinc/84/56/13/528845613.db2.gz MWTIZVAFKJJKML-ZDUSSCGKSA-N 2 2 252.362 0.449 20 0 CCADLP CCCn1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cn1 ZINC000358164108 528845617 /nfs/dbraw/zinc/84/56/17/528845617.db2.gz MWTIZVAFKJJKML-ZDUSSCGKSA-N 2 2 252.362 0.449 20 0 CCADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H]1COCC[NH2+]1 ZINC000423865197 528859659 /nfs/dbraw/zinc/85/96/59/528859659.db2.gz CSATUQVLXXCLRL-CYBMUJFWSA-N 2 2 294.399 0.673 20 0 CCADLP CC(C)[C@@H](C(=O)N[C@@H]1CCc2c[nH+]cn2C1)[NH+](C)C ZINC000672155126 545263773 /nfs/dbraw/zinc/26/37/73/545263773.db2.gz RIXYXKSDJKVTEJ-YPMHNXCESA-N 2 2 264.373 0.900 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@H](C)[NH2+]C1CC1)[NH+]1CCOCC1 ZINC000449075644 529009542 /nfs/dbraw/zinc/00/95/42/529009542.db2.gz NTYUPCSJBYKFMT-JSGCOSHPSA-N 2 2 283.416 0.600 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)CC1 ZINC000673668691 545290434 /nfs/dbraw/zinc/29/04/34/545290434.db2.gz GALCDIPGHNPCNZ-CYBMUJFWSA-N 3 2 291.399 0.168 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)CC1 ZINC000673668691 545290435 /nfs/dbraw/zinc/29/04/35/545290435.db2.gz GALCDIPGHNPCNZ-CYBMUJFWSA-N 3 2 291.399 0.168 20 0 CCADLP C[NH+]1CCC(O)(CNC(=O)CCCn2cc[nH+]c2)CC1 ZINC000673844344 545293466 /nfs/dbraw/zinc/29/34/66/545293466.db2.gz QKXQHAYDUKAWLH-UHFFFAOYSA-N 2 2 280.372 0.236 20 0 CCADLP CC(C)(CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])[NH+]1CCOCC1 ZINC000261779036 535105910 /nfs/dbraw/zinc/10/59/10/535105910.db2.gz PABAIYUTFHZEAP-QWHCGFSZSA-N 2 2 283.416 0.731 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261909444 535361002 /nfs/dbraw/zinc/36/10/02/535361002.db2.gz WFCASLNZYLKACM-CYBMUJFWSA-N 2 2 283.416 0.603 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261909444 535361005 /nfs/dbraw/zinc/36/10/05/535361005.db2.gz WFCASLNZYLKACM-CYBMUJFWSA-N 2 2 283.416 0.603 20 0 CCADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)c2nnnn2C)C1 ZINC000346414707 535549291 /nfs/dbraw/zinc/54/92/91/535549291.db2.gz QGMDSKPVOOCLCO-CHWSQXEVSA-N 2 2 296.419 0.704 20 0 CCADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)c2nnnn2C)C1 ZINC000346414707 535549296 /nfs/dbraw/zinc/54/92/96/535549296.db2.gz QGMDSKPVOOCLCO-CHWSQXEVSA-N 2 2 296.419 0.704 20 0 CCADLP CCOC(=O)CC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357725221 535642357 /nfs/dbraw/zinc/64/23/57/535642357.db2.gz VRJJGTDQBCKDFJ-UHFFFAOYSA-N 2 2 258.362 0.328 20 0 CCADLP CCOC(=O)CC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357725221 535642360 /nfs/dbraw/zinc/64/23/60/535642360.db2.gz VRJJGTDQBCKDFJ-UHFFFAOYSA-N 2 2 258.362 0.328 20 0 CCADLP O=C(NCC[NH+]1CCCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000676841204 545353352 /nfs/dbraw/zinc/35/33/52/545353352.db2.gz FMQQKDFCUWFSTO-LBPRGKRZSA-N 2 2 262.357 0.658 20 0 CCADLP CCN(C)C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000369615333 535718194 /nfs/dbraw/zinc/71/81/94/535718194.db2.gz YQYPIIBVRDDLCM-ZDUSSCGKSA-N 2 2 269.389 0.119 20 0 CCADLP CCN(C)C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000369615333 535718199 /nfs/dbraw/zinc/71/81/99/535718199.db2.gz YQYPIIBVRDDLCM-ZDUSSCGKSA-N 2 2 269.389 0.119 20 0 CCADLP C[C@H](NC(=O)NCC[NH+]1CCC1)[C@H](C)[NH+]1CCOCC1 ZINC000677011876 545356689 /nfs/dbraw/zinc/35/66/89/545356689.db2.gz DLWCZUUGIACACE-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccn(C)n1 ZINC000349452850 535804880 /nfs/dbraw/zinc/80/48/80/535804880.db2.gz NULRJSZEMDIOFJ-QWHCGFSZSA-N 2 2 266.389 0.918 20 0 CCADLP CN(C(=O)c1cnco1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000677548072 545368098 /nfs/dbraw/zinc/36/80/98/545368098.db2.gz XPHVUONFGIBEPO-CYBMUJFWSA-N 2 2 292.383 0.915 20 0 CCADLP CN(C(=O)c1cnco1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000677548072 545368099 /nfs/dbraw/zinc/36/80/99/545368099.db2.gz XPHVUONFGIBEPO-CYBMUJFWSA-N 2 2 292.383 0.915 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N2CC[NH+]3CCC2CC3)no1 ZINC000356988035 535980083 /nfs/dbraw/zinc/98/00/83/535980083.db2.gz VXILLDCVVOODIX-UHFFFAOYSA-N 2 2 278.356 0.656 20 0 CCADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@H](NC(N)=O)C2)s1 ZINC000347923342 536054837 /nfs/dbraw/zinc/05/48/37/536054837.db2.gz SYLIHAYOTABWMC-VIFPVBQESA-N 2 2 283.401 0.447 20 0 CCADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@H](NC(N)=O)C2)s1 ZINC000347923342 536054841 /nfs/dbraw/zinc/05/48/41/536054841.db2.gz SYLIHAYOTABWMC-VIFPVBQESA-N 2 2 283.401 0.447 20 0 CCADLP CC[C@H](C)NC(=O)CN1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346816998 536157519 /nfs/dbraw/zinc/15/75/19/536157519.db2.gz BKIGVKVMXWMBJV-LSDHHAIUSA-N 2 2 296.459 0.518 20 0 CCADLP CN(C)c1ncc(C[N@H+](C)CCn2cc[nH+]c2)cn1 ZINC000356433635 536159105 /nfs/dbraw/zinc/15/91/05/536159105.db2.gz LSYFMLOOSYQZAP-UHFFFAOYSA-N 2 2 260.345 0.871 20 0 CCADLP CN(C)c1ncc(C[N@@H+](C)CCn2cc[nH+]c2)cn1 ZINC000356433635 536159110 /nfs/dbraw/zinc/15/91/10/536159110.db2.gz LSYFMLOOSYQZAP-UHFFFAOYSA-N 2 2 260.345 0.871 20 0 CCADLP CC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1nccn1C ZINC000678767002 545397099 /nfs/dbraw/zinc/39/70/99/545397099.db2.gz CSLHOVKXDLFBKO-GFCCVEGCSA-N 2 2 279.388 0.235 20 0 CCADLP CC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1nccn1C ZINC000678767005 545397199 /nfs/dbraw/zinc/39/71/99/545397199.db2.gz CSLHOVKXDLFBKO-LBPRGKRZSA-N 2 2 279.388 0.235 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1cnn(CC(F)F)c1 ZINC000312600087 536410080 /nfs/dbraw/zinc/41/00/80/536410080.db2.gz FQAPUMIGPQXNSX-LBPRGKRZSA-N 2 2 287.358 0.484 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1cnn(CC(F)F)c1 ZINC000312600087 536410084 /nfs/dbraw/zinc/41/00/84/536410084.db2.gz FQAPUMIGPQXNSX-LBPRGKRZSA-N 2 2 287.358 0.484 20 0 CCADLP C[N@H+](C[C@@H](O)C(F)(F)F)C1CC[NH+](CCO)CC1 ZINC000358968896 536416583 /nfs/dbraw/zinc/41/65/83/536416583.db2.gz HRBBXVXOCUYXQA-SNVBAGLBSA-N 2 2 270.295 0.298 20 0 CCADLP C[N@@H+](C[C@@H](O)C(F)(F)F)C1CC[NH+](CCO)CC1 ZINC000358968896 536416587 /nfs/dbraw/zinc/41/65/87/536416587.db2.gz HRBBXVXOCUYXQA-SNVBAGLBSA-N 2 2 270.295 0.298 20 0 CCADLP CNC(=O)c1ccc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000516467484 536423019 /nfs/dbraw/zinc/42/30/19/536423019.db2.gz COMOPUOHODUTIH-AWEZNQCLSA-N 2 2 276.384 0.121 20 0 CCADLP CNC(=O)c1ccc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000516467484 536423020 /nfs/dbraw/zinc/42/30/20/536423020.db2.gz COMOPUOHODUTIH-AWEZNQCLSA-N 2 2 276.384 0.121 20 0 CCADLP COC(=O)c1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)[nH]1 ZINC000347137469 536672416 /nfs/dbraw/zinc/67/24/16/536672416.db2.gz ULWXUPNKHVZVPG-KOLCDFICSA-N 2 2 251.330 0.970 20 0 CCADLP COC(=O)c1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)[nH]1 ZINC000347137469 536672425 /nfs/dbraw/zinc/67/24/25/536672425.db2.gz ULWXUPNKHVZVPG-KOLCDFICSA-N 2 2 251.330 0.970 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)Cc1[nH+]ccn1C ZINC000680006785 545421741 /nfs/dbraw/zinc/42/17/41/545421741.db2.gz VONWVMXDPJZMNZ-GFCCVEGCSA-N 2 2 280.372 0.347 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ncc(Cl)s2)CC1 ZINC000681132523 545443692 /nfs/dbraw/zinc/44/36/92/545443692.db2.gz BUKOLLQMAOMFMC-UHFFFAOYSA-N 2 2 288.804 0.660 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCN(CCO)C(C)(C)C1 ZINC000682034934 545470938 /nfs/dbraw/zinc/47/09/38/545470938.db2.gz MRRNQOVHUUIJEE-UHFFFAOYSA-N 2 2 280.416 0.970 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CCN(CCO)C(C)(C)C1 ZINC000682034934 545470939 /nfs/dbraw/zinc/47/09/39/545470939.db2.gz MRRNQOVHUUIJEE-UHFFFAOYSA-N 2 2 280.416 0.970 20 0 CCADLP Cc1[nH+]ccn1CCCN1CC[N@H+](CCO)C(C)(C)C1 ZINC000682034934 545470940 /nfs/dbraw/zinc/47/09/40/545470940.db2.gz MRRNQOVHUUIJEE-UHFFFAOYSA-N 2 2 280.416 0.970 20 0 CCADLP Cc1[nH+]ccn1CCCN1CC[N@@H+](CCO)C(C)(C)C1 ZINC000682034934 545470941 /nfs/dbraw/zinc/47/09/41/545470941.db2.gz MRRNQOVHUUIJEE-UHFFFAOYSA-N 2 2 280.416 0.970 20 0 CCADLP CC1(C)CN(CCn2cc[nH+]c2)CC[N@@H+]1CCO ZINC000682036297 545470967 /nfs/dbraw/zinc/47/09/67/545470967.db2.gz OTYXFQLKJVERII-UHFFFAOYSA-N 2 2 252.362 0.272 20 0 CCADLP CC1(C)CN(CCn2cc[nH+]c2)CC[N@H+]1CCO ZINC000682036297 545470968 /nfs/dbraw/zinc/47/09/68/545470968.db2.gz OTYXFQLKJVERII-UHFFFAOYSA-N 2 2 252.362 0.272 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1[C@H]2C[N@H+](CCC3CC3)C[C@H]21 ZINC000961889774 649885281 /nfs/dbraw/zinc/88/52/81/649885281.db2.gz POSUFGKSIDPSLV-NHAGDIPZSA-N 2 2 274.368 0.799 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1[C@H]2C[N@@H+](CCC3CC3)C[C@H]21 ZINC000961889774 649885282 /nfs/dbraw/zinc/88/52/82/649885282.db2.gz POSUFGKSIDPSLV-NHAGDIPZSA-N 2 2 274.368 0.799 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC1CC(C[NH2+]C[C@@H]2CCOC2)C1 ZINC000962360032 649899017 /nfs/dbraw/zinc/89/90/17/649899017.db2.gz RBVKYAKJERQNII-HIFPTAJRSA-N 2 2 292.383 0.473 20 0 CCADLP C[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1n1cc[nH+]c1 ZINC000788485558 581113242 /nfs/dbraw/zinc/11/32/42/581113242.db2.gz MTKXSIQRFCBTRJ-WOPDTQHZSA-N 2 2 276.340 0.571 20 0 CCADLP C[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C[C@@H]1n1cc[nH+]c1 ZINC000788485558 581113244 /nfs/dbraw/zinc/11/32/44/581113244.db2.gz MTKXSIQRFCBTRJ-WOPDTQHZSA-N 2 2 276.340 0.571 20 0 CCADLP CC[C@@H]1NC(=O)N([C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000777651749 581128435 /nfs/dbraw/zinc/12/84/35/581128435.db2.gz FKGZLXOPLCHTRC-OLZOCXBDSA-N 2 2 294.399 0.485 20 0 CCADLP CC[C@@H]1NC(=O)N([C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000777651749 581128438 /nfs/dbraw/zinc/12/84/38/581128438.db2.gz FKGZLXOPLCHTRC-OLZOCXBDSA-N 2 2 294.399 0.485 20 0 CCADLP CCN1CC(=O)N([C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000777652457 581128633 /nfs/dbraw/zinc/12/86/33/581128633.db2.gz NHNTYBDGDLTVEB-ZDUSSCGKSA-N 2 2 294.399 0.439 20 0 CCADLP CCN1CC(=O)N([C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000777652457 581128634 /nfs/dbraw/zinc/12/86/34/581128634.db2.gz NHNTYBDGDLTVEB-ZDUSSCGKSA-N 2 2 294.399 0.439 20 0 CCADLP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+]1CC=CCC1)C2=O ZINC000778577605 581159672 /nfs/dbraw/zinc/15/96/72/581159672.db2.gz SQGKDBUBTZLINM-UHFFFAOYSA-N 2 2 278.356 0.222 20 0 CCADLP CO[C@@H]1CC[N@H+](CN2C[C@H](c3c[nH+]cn3C)CC2=O)C1 ZINC000783989937 581370051 /nfs/dbraw/zinc/37/00/51/581370051.db2.gz OSNQGVAMWOZUTB-VXGBXAGGSA-N 2 2 278.356 0.414 20 0 CCADLP CO[C@@H]1CC[N@@H+](CN2C[C@H](c3c[nH+]cn3C)CC2=O)C1 ZINC000783989937 581370053 /nfs/dbraw/zinc/37/00/53/581370053.db2.gz OSNQGVAMWOZUTB-VXGBXAGGSA-N 2 2 278.356 0.414 20 0 CCADLP C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000796375544 581438743 /nfs/dbraw/zinc/43/87/43/581438743.db2.gz LQIKRONZTWFTKG-JOYOIKCWSA-N 2 2 282.413 0.819 20 0 CCADLP Cc1ccc(C[N@H+](CCO)C[C@H](O)C[NH+]2CCCC2)o1 ZINC000796559124 581443593 /nfs/dbraw/zinc/44/35/93/581443593.db2.gz KSWCRWKDWNVHGT-CQSZACIVSA-N 2 2 282.384 0.839 20 0 CCADLP Cc1ccc(C[N@@H+](CCO)C[C@H](O)C[NH+]2CCCC2)o1 ZINC000796559124 581443595 /nfs/dbraw/zinc/44/35/95/581443595.db2.gz KSWCRWKDWNVHGT-CQSZACIVSA-N 2 2 282.384 0.839 20 0 CCADLP CO[C@H]1CC(=O)N(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000787220011 581460566 /nfs/dbraw/zinc/46/05/66/581460566.db2.gz MCUGMTSRXBVAPS-STQMWFEESA-N 2 2 278.356 0.725 20 0 CCADLP CO[C@H]1CC(=O)N(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000787220011 581460569 /nfs/dbraw/zinc/46/05/69/581460569.db2.gz MCUGMTSRXBVAPS-STQMWFEESA-N 2 2 278.356 0.725 20 0 CCADLP Cn1cc[nH+]c1CN1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000734150251 581546262 /nfs/dbraw/zinc/54/62/62/581546262.db2.gz UBIFFJYBXBIWBU-ZDUSSCGKSA-N 2 2 264.373 0.309 20 0 CCADLP CN(C(=O)C1=COCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000734127958 581547781 /nfs/dbraw/zinc/54/77/81/581547781.db2.gz KWHRMCFMJOFXRS-HNNXBMFYSA-N 2 2 293.411 0.918 20 0 CCADLP CN(C(=O)C1=COCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000734127958 581547783 /nfs/dbraw/zinc/54/77/83/581547783.db2.gz KWHRMCFMJOFXRS-HNNXBMFYSA-N 2 2 293.411 0.918 20 0 CCADLP C[C@H]1CN(C(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CCO1 ZINC000729265878 581570181 /nfs/dbraw/zinc/57/01/81/581570181.db2.gz QWYYYVXFOQCRHK-UONOGXRCSA-N 2 2 292.383 0.767 20 0 CCADLP C[C@H]1CN(C(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CCO1 ZINC000729265878 581570185 /nfs/dbraw/zinc/57/01/85/581570185.db2.gz QWYYYVXFOQCRHK-UONOGXRCSA-N 2 2 292.383 0.767 20 0 CCADLP C[N@@H+]1CCC[C@H]1CCN1CC[NH+](CC[S@@](C)=O)CC1 ZINC000767429184 581613394 /nfs/dbraw/zinc/61/33/94/581613394.db2.gz LUISEILNHDKVPA-IFXJQAMLSA-N 2 2 287.473 0.467 20 0 CCADLP C[N@H+]1CCC[C@H]1CCN1CC[NH+](CC[S@@](C)=O)CC1 ZINC000767429184 581613396 /nfs/dbraw/zinc/61/33/96/581613396.db2.gz LUISEILNHDKVPA-IFXJQAMLSA-N 2 2 287.473 0.467 20 0 CCADLP C[C@H](c1ccncc1)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000169810648 581653998 /nfs/dbraw/zinc/65/39/98/581653998.db2.gz WRVSVSAIPVDPBM-CYBMUJFWSA-N 2 2 276.384 0.848 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1nnc2ccccn21 ZINC000756107772 581657145 /nfs/dbraw/zinc/65/71/45/581657145.db2.gz WSSNFRSOLRJCLL-NWDGAFQWSA-N 2 2 259.357 0.812 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1nnc2ccccn21 ZINC000756107772 581657147 /nfs/dbraw/zinc/65/71/47/581657147.db2.gz WSSNFRSOLRJCLL-NWDGAFQWSA-N 2 2 259.357 0.812 20 0 CCADLP Cn1c(CO)nn(C[N@H+](C)CC2CC[NH+](C)CC2)c1=S ZINC000769832181 581709789 /nfs/dbraw/zinc/70/97/89/581709789.db2.gz BFIWUWCMVTVCAZ-UHFFFAOYSA-N 2 2 299.444 0.674 20 0 CCADLP Cn1c(CO)nn(C[N@@H+](C)CC2CC[NH+](C)CC2)c1=S ZINC000769832181 581709792 /nfs/dbraw/zinc/70/97/92/581709792.db2.gz BFIWUWCMVTVCAZ-UHFFFAOYSA-N 2 2 299.444 0.674 20 0 CCADLP OC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccsc1 ZINC000770688575 581761822 /nfs/dbraw/zinc/76/18/22/581761822.db2.gz MVZHLLJGAYSPFK-CHWSQXEVSA-N 2 2 270.398 0.828 20 0 CCADLP CC(C)(C)OC(=O)NCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000759785701 581822714 /nfs/dbraw/zinc/82/27/14/581822714.db2.gz UNPYIZSDWJSKBN-GHMZBOCLSA-N 2 2 255.362 0.662 20 0 CCADLP CN(C)c1cc[nH+]c(N2CCN(c3[nH+]ccn3C)CC2)n1 ZINC000760995634 581882295 /nfs/dbraw/zinc/88/22/95/581882295.db2.gz YXDSRGLNLNFAOV-UHFFFAOYSA-N 2 2 287.371 0.603 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000773595117 581935656 /nfs/dbraw/zinc/93/56/56/581935656.db2.gz XYKMCCIXAHPOCS-ZDUSSCGKSA-N 2 2 291.386 0.716 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCCN(CC(F)F)CC1 ZINC000773595117 581935659 /nfs/dbraw/zinc/93/56/59/581935659.db2.gz XYKMCCIXAHPOCS-ZDUSSCGKSA-N 2 2 291.386 0.716 20 0 CCADLP CN1C(=O)CN(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000776200811 582059238 /nfs/dbraw/zinc/05/92/38/582059238.db2.gz QGNTZIFOGHSJAB-LLVKDONJSA-N 2 2 277.328 0.372 20 0 CCADLP CN1C(=O)CN(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000776200811 582059240 /nfs/dbraw/zinc/05/92/40/582059240.db2.gz QGNTZIFOGHSJAB-LLVKDONJSA-N 2 2 277.328 0.372 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCF)C1 ZINC000898492800 614517312 /nfs/dbraw/zinc/51/73/12/614517312.db2.gz ZCUSICWNMHXMIM-GFCCVEGCSA-N 2 2 259.369 0.878 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCF)C1 ZINC000898492800 614517313 /nfs/dbraw/zinc/51/73/13/614517313.db2.gz ZCUSICWNMHXMIM-GFCCVEGCSA-N 2 2 259.369 0.878 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898492800 614517314 /nfs/dbraw/zinc/51/73/14/614517314.db2.gz ZCUSICWNMHXMIM-GFCCVEGCSA-N 2 2 259.369 0.878 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898492800 614517315 /nfs/dbraw/zinc/51/73/15/614517315.db2.gz ZCUSICWNMHXMIM-GFCCVEGCSA-N 2 2 259.369 0.878 20 0 CCADLP CCN(OC)C(=O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858182114 615076492 /nfs/dbraw/zinc/07/64/92/615076492.db2.gz HSVQQFVGJDTRBW-LLVKDONJSA-N 2 2 257.378 0.859 20 0 CCADLP CCN(OC)C(=O)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858182114 615076493 /nfs/dbraw/zinc/07/64/93/615076493.db2.gz HSVQQFVGJDTRBW-LLVKDONJSA-N 2 2 257.378 0.859 20 0 CCADLP C[C@@H]([NH3+])CN(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000877105240 617174931 /nfs/dbraw/zinc/17/49/31/617174931.db2.gz NFJSQKBAKRPDID-DGCLKSJQSA-N 2 2 269.389 0.435 20 0 CCADLP C[C@@H]([NH3+])CN(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000877105240 617174932 /nfs/dbraw/zinc/17/49/32/617174932.db2.gz NFJSQKBAKRPDID-DGCLKSJQSA-N 2 2 269.389 0.435 20 0 CCADLP C(C[NH+]1CCOCC1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923536530 613225962 /nfs/dbraw/zinc/22/59/62/613225962.db2.gz PFHDBHITDVPDHJ-CQSZACIVSA-N 2 2 253.390 0.537 20 0 CCADLP C/C(=C/C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C)C[NH+]1CCOCC1 ZINC000928426456 613239057 /nfs/dbraw/zinc/23/90/57/613239057.db2.gz GBFYBAKEUOTVSL-WXLZEUHASA-N 2 2 281.400 0.474 20 0 CCADLP C/C(=C/C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C)C[NH+]1CCOCC1 ZINC000928426456 613239058 /nfs/dbraw/zinc/23/90/58/613239058.db2.gz GBFYBAKEUOTVSL-WXLZEUHASA-N 2 2 281.400 0.474 20 0 CCADLP C/C(=C\C(=O)N(C)[C@H]1CCC[N@H+](C)C1)C[NH+]1CCOCC1 ZINC000900832454 613248782 /nfs/dbraw/zinc/24/87/82/613248782.db2.gz SHNUCRHMPMKGNX-GOFCXVBSSA-N 2 2 295.427 0.818 20 0 CCADLP C/C(=C\C(=O)N(C)[C@H]1CCC[N@@H+](C)C1)C[NH+]1CCOCC1 ZINC000900832454 613248784 /nfs/dbraw/zinc/24/87/84/613248784.db2.gz SHNUCRHMPMKGNX-GOFCXVBSSA-N 2 2 295.427 0.818 20 0 CCADLP C/C(=C\C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)C[NH+]1CCOCC1 ZINC000909146143 613254892 /nfs/dbraw/zinc/25/48/92/613254892.db2.gz OMGVWJAKXMXCJA-NEGDOYIXSA-N 2 2 293.411 0.283 20 0 CCADLP CC(=O)N1CCN(CC[NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925546980 613415738 /nfs/dbraw/zinc/41/57/38/613415738.db2.gz MJKMNQMPASQDDI-AWEZNQCLSA-N 2 2 280.416 0.025 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000896963062 613938897 /nfs/dbraw/zinc/93/88/97/613938897.db2.gz CUGWQNOWTOOENN-KBPBESRZSA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000896963062 613938899 /nfs/dbraw/zinc/93/88/99/613938899.db2.gz CUGWQNOWTOOENN-KBPBESRZSA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000970482583 613970062 /nfs/dbraw/zinc/97/00/62/613970062.db2.gz WLPXBZIBHUNWAV-LLVKDONJSA-N 2 2 250.346 0.562 20 0 CCADLP CC(C)Nc1nc(NC[C@@H]2CC[N@@H+]2C)nc(NCCO)[nH+]1 ZINC000895768614 613983986 /nfs/dbraw/zinc/98/39/86/613983986.db2.gz GSHKHPBILUJGMI-JTQLQIEISA-N 2 2 295.391 0.212 20 0 CCADLP CC(C)Nc1nc(NC[C@@H]2CC[N@H+]2C)nc(NCCO)[nH+]1 ZINC000895768614 613983991 /nfs/dbraw/zinc/98/39/91/613983991.db2.gz GSHKHPBILUJGMI-JTQLQIEISA-N 2 2 295.391 0.212 20 0 CCADLP CC(C)(CNC(=O)NC[C@H]1C[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000874431244 614100100 /nfs/dbraw/zinc/10/01/00/614100100.db2.gz LBACQJPIUTUSFG-HAQNSBGRSA-N 2 2 284.404 0.134 20 0 CCADLP CC(C)[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cnn(C)c1 ZINC000886590386 614128547 /nfs/dbraw/zinc/12/85/47/614128547.db2.gz UKNSVCUPAIPXBO-KGLIPLIRSA-N 2 2 266.389 0.773 20 0 CCADLP CC(C)[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cnn(C)c1 ZINC000886590386 614128550 /nfs/dbraw/zinc/12/85/50/614128550.db2.gz UKNSVCUPAIPXBO-KGLIPLIRSA-N 2 2 266.389 0.773 20 0 CCADLP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@H]2CCC(=O)O2)CC1 ZINC000852124320 614144085 /nfs/dbraw/zinc/14/40/85/614144085.db2.gz RYHFNKFNRBLYGU-CYBMUJFWSA-N 2 2 284.400 0.765 20 0 CCADLP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000869778913 614188775 /nfs/dbraw/zinc/18/87/75/614188775.db2.gz RIBMTRYKZLDIPJ-LBPRGKRZSA-N 2 2 280.372 0.304 20 0 CCADLP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000869778913 614188776 /nfs/dbraw/zinc/18/87/76/614188776.db2.gz RIBMTRYKZLDIPJ-LBPRGKRZSA-N 2 2 280.372 0.304 20 0 CCADLP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000869778913 614188778 /nfs/dbraw/zinc/18/87/78/614188778.db2.gz RIBMTRYKZLDIPJ-LBPRGKRZSA-N 2 2 280.372 0.304 20 0 CCADLP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000869778913 614188780 /nfs/dbraw/zinc/18/87/80/614188780.db2.gz RIBMTRYKZLDIPJ-LBPRGKRZSA-N 2 2 280.372 0.304 20 0 CCADLP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000869777501 614189238 /nfs/dbraw/zinc/18/92/38/614189238.db2.gz OXHMMZJPAFUDGH-NSHDSACASA-N 2 2 280.372 0.304 20 0 CCADLP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000869777501 614189241 /nfs/dbraw/zinc/18/92/41/614189241.db2.gz OXHMMZJPAFUDGH-NSHDSACASA-N 2 2 280.372 0.304 20 0 CCADLP CC(C)[C@H](CNC(=[NH2+])NC1CC1)[NH+]1CCOCC1 ZINC000848983812 614208203 /nfs/dbraw/zinc/20/82/03/614208203.db2.gz JSFJRZPAHLGNML-LBPRGKRZSA-N 2 2 254.378 0.620 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](O)CC(C)(C)C1 ZINC000879624607 614258421 /nfs/dbraw/zinc/25/84/21/614258421.db2.gz XUKDKWQZUNBINH-CHWSQXEVSA-N 2 2 258.406 0.780 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](O)CC(C)(C)C1 ZINC000879624607 614258424 /nfs/dbraw/zinc/25/84/24/614258424.db2.gz XUKDKWQZUNBINH-CHWSQXEVSA-N 2 2 258.406 0.780 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879624607 614258426 /nfs/dbraw/zinc/25/84/26/614258426.db2.gz XUKDKWQZUNBINH-CHWSQXEVSA-N 2 2 258.406 0.780 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879624607 614258428 /nfs/dbraw/zinc/25/84/28/614258428.db2.gz XUKDKWQZUNBINH-CHWSQXEVSA-N 2 2 258.406 0.780 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000934593991 614351449 /nfs/dbraw/zinc/35/14/49/614351449.db2.gz TXKPFXCLCFGHRW-GJZGRUSLSA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000934593991 614351450 /nfs/dbraw/zinc/35/14/50/614351450.db2.gz TXKPFXCLCFGHRW-GJZGRUSLSA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)C(=O)N1CCC([NH2+][C@H]2C[NH2+]CCOC2)CC1 ZINC000925530919 614351518 /nfs/dbraw/zinc/35/15/18/614351518.db2.gz HVCMJHCXXKAQLU-ZDUSSCGKSA-N 2 2 269.389 0.211 20 0 CCADLP CC1(C)CC[N@H+](CC[NH2+][C@@H]2CCNC(=O)CC2)C1 ZINC000898034856 614546995 /nfs/dbraw/zinc/54/69/95/614546995.db2.gz ZDPKYQBCHAFAEQ-LBPRGKRZSA-N 2 2 253.390 0.977 20 0 CCADLP CC1(C)CC[N@@H+](CC[NH2+][C@@H]2CCNC(=O)CC2)C1 ZINC000898034856 614546997 /nfs/dbraw/zinc/54/69/97/614546997.db2.gz ZDPKYQBCHAFAEQ-LBPRGKRZSA-N 2 2 253.390 0.977 20 0 CCADLP CCC[N@H+](C[C@@H](O)Cn1cccn1)[C@H]1CC[NH2+]C1 ZINC000923285980 614584758 /nfs/dbraw/zinc/58/47/58/614584758.db2.gz KKZPKRLAMGKRNF-QWHCGFSZSA-N 2 2 252.362 0.318 20 0 CCADLP CCC[N@@H+](C[C@@H](O)Cn1cccn1)[C@H]1CC[NH2+]C1 ZINC000923285980 614584759 /nfs/dbraw/zinc/58/47/59/614584759.db2.gz KKZPKRLAMGKRNF-QWHCGFSZSA-N 2 2 252.362 0.318 20 0 CCADLP CCN(C(=O)N[C@@H](C)Cn1cc[nH+]c1)[C@H]1CC[NH2+]C1 ZINC000887279121 614603562 /nfs/dbraw/zinc/60/35/62/614603562.db2.gz ZEJBARJBAQXMBT-RYUDHWBXSA-N 2 2 265.361 0.665 20 0 CCADLP CCN(C(=O)N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CC[NH2+]C1 ZINC000891818470 614604388 /nfs/dbraw/zinc/60/43/88/614604388.db2.gz IQSRUYUOIIXHDA-VXGBXAGGSA-N 2 2 277.372 0.591 20 0 CCADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1C[NH+](CCCF)C1 ZINC000949796908 614619820 /nfs/dbraw/zinc/61/98/20/614619820.db2.gz WCZPCJIABMIJRE-ZDUSSCGKSA-N 2 2 271.380 0.973 20 0 CCADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1C[NH+](CCCF)C1 ZINC000949796908 614619821 /nfs/dbraw/zinc/61/98/21/614619821.db2.gz WCZPCJIABMIJRE-ZDUSSCGKSA-N 2 2 271.380 0.973 20 0 CCADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1C[NH+](C[C@H](C)OC)C1 ZINC000949796624 614619870 /nfs/dbraw/zinc/61/98/70/614619870.db2.gz LNRUDXKQENXXAQ-JSGCOSHPSA-N 2 2 283.416 0.648 20 0 CCADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1C[NH+](C[C@H](C)OC)C1 ZINC000949796624 614619871 /nfs/dbraw/zinc/61/98/71/614619871.db2.gz LNRUDXKQENXXAQ-JSGCOSHPSA-N 2 2 283.416 0.648 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC000905258489 614683483 /nfs/dbraw/zinc/68/34/83/614683483.db2.gz WVMRMTUQNCXHQD-SOUVJXGZSA-N 2 2 286.416 0.353 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC000905258489 614683486 /nfs/dbraw/zinc/68/34/86/614683486.db2.gz WVMRMTUQNCXHQD-SOUVJXGZSA-N 2 2 286.416 0.353 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905256141 614683585 /nfs/dbraw/zinc/68/35/85/614683585.db2.gz MHNSRJQESWDYFB-QWHCGFSZSA-N 2 2 256.390 0.726 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905256141 614683587 /nfs/dbraw/zinc/68/35/87/614683587.db2.gz MHNSRJQESWDYFB-QWHCGFSZSA-N 2 2 256.390 0.726 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000905258638 614683595 /nfs/dbraw/zinc/68/35/95/614683595.db2.gz ZVAALKBGXVGDBM-KBPBESRZSA-N 2 2 286.416 0.353 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000905258638 614683597 /nfs/dbraw/zinc/68/35/97/614683597.db2.gz ZVAALKBGXVGDBM-KBPBESRZSA-N 2 2 286.416 0.353 20 0 CCADLP CCC1(CC)CNC(=O)[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000933289785 614683949 /nfs/dbraw/zinc/68/39/49/614683949.db2.gz NAFXFAHQUBPPGS-STQMWFEESA-N 2 2 283.416 0.338 20 0 CCADLP CCC1([NH3+])CC[NH+]([C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000925758515 614704690 /nfs/dbraw/zinc/70/46/90/614704690.db2.gz CFJZCROYCSWVFH-YNEHKIRRSA-N 3 2 255.406 0.942 20 0 CCADLP CCC(=O)N1CC[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925557526 614732497 /nfs/dbraw/zinc/73/24/97/614732497.db2.gz CAHSEIRFXGZKLF-RYUDHWBXSA-N 2 2 251.374 0.872 20 0 CCADLP CC1(C)NC(=O)N(CC[NH2+][C@H]2CC[NH2+]C23CCC3)C1=O ZINC000903468294 614805334 /nfs/dbraw/zinc/80/53/34/614805334.db2.gz KDUKXCYGMAXFQU-JTQLQIEISA-N 2 2 280.372 0.191 20 0 CCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000925631461 614808645 /nfs/dbraw/zinc/80/86/45/614808645.db2.gz ZIYFAGNLOXAFEQ-NWDGAFQWSA-N 2 2 270.373 0.639 20 0 CCADLP CC[N@H+](C)C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC000961035488 614855879 /nfs/dbraw/zinc/85/58/79/614855879.db2.gz FLMOIGBXJWSYST-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC000961035488 614855881 /nfs/dbraw/zinc/85/58/81/614855881.db2.gz FLMOIGBXJWSYST-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP CC[N@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000971657706 614888894 /nfs/dbraw/zinc/88/88/94/614888894.db2.gz FQWHCACWUOJCOQ-GFCCVEGCSA-N 2 2 250.346 0.895 20 0 CCADLP CC[N@@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000971657706 614888895 /nfs/dbraw/zinc/88/88/95/614888895.db2.gz FQWHCACWUOJCOQ-GFCCVEGCSA-N 2 2 250.346 0.895 20 0 CCADLP CC[N@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000971657706 614888897 /nfs/dbraw/zinc/88/88/97/614888897.db2.gz FQWHCACWUOJCOQ-GFCCVEGCSA-N 2 2 250.346 0.895 20 0 CCADLP CC[N@@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000971657706 614888898 /nfs/dbraw/zinc/88/88/98/614888898.db2.gz FQWHCACWUOJCOQ-GFCCVEGCSA-N 2 2 250.346 0.895 20 0 CCADLP CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000971817474 614893282 /nfs/dbraw/zinc/89/32/82/614893282.db2.gz GVJCAGWXGJQBCK-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000971817474 614893286 /nfs/dbraw/zinc/89/32/86/614893286.db2.gz GVJCAGWXGJQBCK-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000972727079 614908507 /nfs/dbraw/zinc/90/85/07/614908507.db2.gz AHEFFVSBBBCCJV-NSHDSACASA-N 2 2 250.346 0.515 20 0 CCADLP CC[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000972727079 614908509 /nfs/dbraw/zinc/90/85/09/614908509.db2.gz AHEFFVSBBBCCJV-NSHDSACASA-N 2 2 250.346 0.515 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000870982888 614910484 /nfs/dbraw/zinc/91/04/84/614910484.db2.gz OCRMDGKJEIVCKG-CQSZACIVSA-N 2 2 296.459 0.613 20 0 CCADLP CCN(CC)C(=O)CCC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925597854 614964086 /nfs/dbraw/zinc/96/40/86/614964086.db2.gz OOHRIFMOTOFTGR-LBPRGKRZSA-N 2 2 257.378 0.213 20 0 CCADLP CC[NH+](CC)[C@H](C)CN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000925281499 615011030 /nfs/dbraw/zinc/01/10/30/615011030.db2.gz FTVZQFJCGJCAJR-PWSUYJOCSA-N 2 2 293.371 0.603 20 0 CCADLP CC[NH+](CC)[C@H](C)CN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000925281499 615011034 /nfs/dbraw/zinc/01/10/34/615011034.db2.gz FTVZQFJCGJCAJR-PWSUYJOCSA-N 2 2 293.371 0.603 20 0 CCADLP CC[NH+](CC)[C@H](C)CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000867917160 615011182 /nfs/dbraw/zinc/01/11/82/615011182.db2.gz GCTVSLOVLZGZLJ-PSKZRQQASA-N 2 2 283.416 0.721 20 0 CCADLP CC[N@H+](CCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C(C)C ZINC000875212077 615049923 /nfs/dbraw/zinc/04/99/23/615049923.db2.gz WQSVTRJFJDGKBM-GFCCVEGCSA-N 2 2 279.388 0.837 20 0 CCADLP CC[N@@H+](CCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C(C)C ZINC000875212077 615049924 /nfs/dbraw/zinc/04/99/24/615049924.db2.gz WQSVTRJFJDGKBM-GFCCVEGCSA-N 2 2 279.388 0.837 20 0 CCADLP CC[NH2+]C1CC2(CC(NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC000965947289 615074129 /nfs/dbraw/zinc/07/41/29/615074129.db2.gz GHVZMGZJEXHYCD-UHFFFAOYSA-N 2 2 262.357 0.920 20 0 CCADLP CC[NH2+]CC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000844181419 615077551 /nfs/dbraw/zinc/07/75/51/615077551.db2.gz QBQIWLRMVBBWMV-CYBMUJFWSA-N 2 2 269.389 0.309 20 0 CCADLP CC[NH+]1CCC(CNC(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000864994519 615099029 /nfs/dbraw/zinc/09/90/29/615099029.db2.gz QYJFEUVAOMYKNP-ARJAWSKDSA-N 2 2 295.427 0.723 20 0 CCADLP CCNS(=O)(=O)[C@@H]1CC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904328324 615108245 /nfs/dbraw/zinc/10/82/45/615108245.db2.gz CORKMTPNRQQGFH-CHWSQXEVSA-N 2 2 289.445 0.390 20 0 CCADLP CCNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904328324 615108246 /nfs/dbraw/zinc/10/82/46/615108246.db2.gz CORKMTPNRQQGFH-CHWSQXEVSA-N 2 2 289.445 0.390 20 0 CCADLP CC[N@@H+]1CCCN(C(=O)/C=C(/C)C[NH+]2CCOCC2)CC1 ZINC000900631688 615116454 /nfs/dbraw/zinc/11/64/54/615116454.db2.gz DDPSLDZHKNMUNU-SQFISAMPSA-N 2 2 295.427 0.819 20 0 CCADLP CC[N@H+]1CCCN(C(=O)/C=C(/C)C[NH+]2CCOCC2)CC1 ZINC000900631688 615116456 /nfs/dbraw/zinc/11/64/56/615116456.db2.gz DDPSLDZHKNMUNU-SQFISAMPSA-N 2 2 295.427 0.819 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC000970816096 615119040 /nfs/dbraw/zinc/11/90/40/615119040.db2.gz NWCKKAGBBXFAJG-ZIAGYGMSSA-N 2 2 276.384 0.895 20 0 CCADLP CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CCO1 ZINC000979453632 615129597 /nfs/dbraw/zinc/12/95/97/615129597.db2.gz YAHKCNYXQSKRJN-OCCSQVGLSA-N 2 2 294.399 0.578 20 0 CCADLP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cnn(C)n2)CC1 ZINC000924661666 615157496 /nfs/dbraw/zinc/15/74/96/615157496.db2.gz SFKPCEYGAXGOFG-CQSZACIVSA-N 2 2 294.447 0.883 20 0 CCADLP CCOC(=O)C1=CC[C@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000863544595 615166387 /nfs/dbraw/zinc/16/63/87/615166387.db2.gz YZGYMJQICOTJIU-SOUVJXGZSA-N 2 2 294.395 0.995 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880475894 615214544 /nfs/dbraw/zinc/21/45/44/615214544.db2.gz IYBZCIRJRQUEOR-ZDUSSCGKSA-N 2 2 284.400 0.861 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1C[C@@H](C)OC[C@H]1C ZINC000890058549 615249138 /nfs/dbraw/zinc/24/91/38/615249138.db2.gz ZSPAAKCFZCPCJU-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1C[C@@H](C)OC[C@H]1C ZINC000890058549 615249140 /nfs/dbraw/zinc/24/91/40/615249140.db2.gz ZSPAAKCFZCPCJU-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP CC[NH+]1CC[C@@H]1CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000890058549 615249141 /nfs/dbraw/zinc/24/91/41/615249141.db2.gz ZSPAAKCFZCPCJU-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP CC[NH+]1CC[C@@H]1CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000890058549 615249144 /nfs/dbraw/zinc/24/91/44/615249144.db2.gz ZSPAAKCFZCPCJU-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1CCO[C@H](C)C1 ZINC000883271505 615249834 /nfs/dbraw/zinc/24/98/34/615249834.db2.gz OHADMWGRKPIJFU-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1CCO[C@H](C)C1 ZINC000883271505 615249835 /nfs/dbraw/zinc/24/98/35/615249835.db2.gz OHADMWGRKPIJFU-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP CC[NH+]1CC[C@@H]1CNC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000883271505 615249837 /nfs/dbraw/zinc/24/98/37/615249837.db2.gz OHADMWGRKPIJFU-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP CC[NH+]1CC[C@@H]1CNC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000883271505 615249838 /nfs/dbraw/zinc/24/98/38/615249838.db2.gz OHADMWGRKPIJFU-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP CCOCCOCC[NH+]1CCC([NH2+]CCO)CC1 ZINC000923413461 615271616 /nfs/dbraw/zinc/27/16/16/615271616.db2.gz PJHUDBVPATUVGG-UHFFFAOYSA-N 2 2 260.378 0.086 20 0 CCADLP CCON(C)C(=O)C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000877612151 615336668 /nfs/dbraw/zinc/33/66/68/615336668.db2.gz KUUZYEVJRDYCAG-UHFFFAOYSA-N 2 2 287.404 0.221 20 0 CCADLP CCS(=O)(=O)c1ccccc1CC[NH2+][C@@H]1CC[NH2+]C1 ZINC000925831232 615353936 /nfs/dbraw/zinc/35/39/36/615353936.db2.gz DASRKMHCFQKOPR-CYBMUJFWSA-N 2 2 282.409 0.974 20 0 CCADLP CCON1CCC([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000926747380 615354595 /nfs/dbraw/zinc/35/45/95/615354595.db2.gz ANNGTQQAJJUWTP-AWEZNQCLSA-N 2 2 298.431 0.332 20 0 CCADLP CCON1CCC([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000926747380 615354599 /nfs/dbraw/zinc/35/45/99/615354599.db2.gz ANNGTQQAJJUWTP-AWEZNQCLSA-N 2 2 298.431 0.332 20 0 CCADLP CC[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC000615548151 615369705 /nfs/dbraw/zinc/36/97/05/615369705.db2.gz SRCIWFQXWPXFCK-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@@H](C(=O)N1CC[C@@H]([NH3+])C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911652411 615374053 /nfs/dbraw/zinc/37/40/53/615374053.db2.gz RBMLLBLAEFDAMV-UPJWGTAASA-N 2 2 269.389 0.435 20 0 CCADLP CC[C@@H](C(=O)N1CC[C@@H]([NH3+])C1)[N@H+]1CCO[C@H](CC)C1 ZINC000911652411 615374056 /nfs/dbraw/zinc/37/40/56/615374056.db2.gz RBMLLBLAEFDAMV-UPJWGTAASA-N 2 2 269.389 0.435 20 0 CCADLP CCO[C@@H](C[NH2+][C@@H]1C[C@@H](OCC)[C@@H]1OC)C[NH+](C)C ZINC000896880046 615410650 /nfs/dbraw/zinc/41/06/50/615410650.db2.gz LZZOOSDZAJPLIH-REWJHTLYSA-N 2 2 274.405 0.735 20 0 CCADLP CC[C@@H](C)[C@@H](NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1)C(=O)OC ZINC000923514446 615466014 /nfs/dbraw/zinc/46/60/14/615466014.db2.gz RVXNFVVYTFGPAJ-HKUMRIAESA-N 2 2 299.415 0.217 20 0 CCADLP CC[C@@H](C)[C@@H](NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1)C(=O)OC ZINC000923514446 615466016 /nfs/dbraw/zinc/46/60/16/615466016.db2.gz RVXNFVVYTFGPAJ-HKUMRIAESA-N 2 2 299.415 0.217 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000928645229 615477107 /nfs/dbraw/zinc/47/71/07/615477107.db2.gz DFEUWOWZOUXZSN-KGLIPLIRSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000928645229 615477108 /nfs/dbraw/zinc/47/71/08/615477108.db2.gz DFEUWOWZOUXZSN-KGLIPLIRSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@@H](CO)[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000931650060 615488265 /nfs/dbraw/zinc/48/82/65/615488265.db2.gz FIVIMRAMGXLNMK-KBPBESRZSA-N 2 2 256.390 0.990 20 0 CCADLP CC[C@@H](CO)[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000931650060 615488266 /nfs/dbraw/zinc/48/82/66/615488266.db2.gz FIVIMRAMGXLNMK-KBPBESRZSA-N 2 2 256.390 0.990 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(Cc2[nH]c(C)[nH+]c2C)CC1 ZINC000929733391 615488482 /nfs/dbraw/zinc/48/84/82/615488482.db2.gz WBOQMLKXYLSBNZ-ZDUSSCGKSA-N 2 2 266.389 0.915 20 0 CCADLP CC[C@H](C(=O)NC[C@H]1CCC[NH2+]1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911750885 615565208 /nfs/dbraw/zinc/56/52/08/615565208.db2.gz GIBDDKSNOBHEOL-MGPQQGTHSA-N 2 2 283.416 0.744 20 0 CCADLP CC[C@H](C(=O)NC[C@H]1CCC[NH2+]1)[N@H+]1CCO[C@H](CC)C1 ZINC000911750885 615565209 /nfs/dbraw/zinc/56/52/09/615565209.db2.gz GIBDDKSNOBHEOL-MGPQQGTHSA-N 2 2 283.416 0.744 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000877434831 615566806 /nfs/dbraw/zinc/56/68/06/615566806.db2.gz VHRNNVWUPHNZQZ-QWHCGFSZSA-N 2 2 267.373 0.261 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000877434831 615566807 /nfs/dbraw/zinc/56/68/07/615566807.db2.gz VHRNNVWUPHNZQZ-QWHCGFSZSA-N 2 2 267.373 0.261 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C[NH+](C)C(C)C ZINC000874702968 615567014 /nfs/dbraw/zinc/56/70/14/615567014.db2.gz LQESBBRAUSYKHI-CYBMUJFWSA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C[NH+](C)C(C)C ZINC000874702968 615567015 /nfs/dbraw/zinc/56/70/15/615567015.db2.gz LQESBBRAUSYKHI-CYBMUJFWSA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)C[N@H+](C)C(C)C ZINC000874702968 615567016 /nfs/dbraw/zinc/56/70/16/615567016.db2.gz LQESBBRAUSYKHI-CYBMUJFWSA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)C[N@@H+](C)C(C)C ZINC000874702968 615567017 /nfs/dbraw/zinc/56/70/17/615567017.db2.gz LQESBBRAUSYKHI-CYBMUJFWSA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000877432439 615567993 /nfs/dbraw/zinc/56/79/93/615567993.db2.gz DKNXSGQGSQBQLI-MJBXVCDLSA-N 2 2 285.432 0.833 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000877432439 615567994 /nfs/dbraw/zinc/56/79/94/615567994.db2.gz DKNXSGQGSQBQLI-MJBXVCDLSA-N 2 2 285.432 0.833 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000877023488 615579629 /nfs/dbraw/zinc/57/96/29/615579629.db2.gz TZODOKNYDJLEFJ-HORCIZIBSA-N 2 2 267.373 0.132 20 0 CCADLP CCn1c[nH+]c2c1CCN(C[C@@H]1C[NH2+]CCO1)C2 ZINC000923558769 615629468 /nfs/dbraw/zinc/62/94/68/615629468.db2.gz VLAFEGCAKRXXRT-NSHDSACASA-N 2 2 250.346 0.250 20 0 CCADLP CC[C@H](C[NH+]1CCN(C(=O)Cn2cc[nH+]c2C)CC1)OC ZINC000957663117 615713827 /nfs/dbraw/zinc/71/38/27/615713827.db2.gz BCYVZBRYBPPAQM-CQSZACIVSA-N 2 2 294.399 0.761 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000925583337 615715966 /nfs/dbraw/zinc/71/59/66/615715966.db2.gz FKJXWAGGVWRRFC-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC1CC[NH+](C)CC1 ZINC000913880904 615716696 /nfs/dbraw/zinc/71/66/96/615716696.db2.gz FCIYNDXCZZNVPY-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000914314721 615717445 /nfs/dbraw/zinc/71/74/45/615717445.db2.gz BQVFYHJTQKIMEY-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+](C)C1CCC(NC(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000868923340 615854950 /nfs/dbraw/zinc/85/49/50/615854950.db2.gz DBFRMCNENSVISG-ONEGZZNKSA-N 2 2 295.427 0.864 20 0 CCADLP C[NH+](C)C1CC[NH+](C[C@H]2CCC3(COC3)O2)CC1 ZINC000929263020 615856891 /nfs/dbraw/zinc/85/68/91/615856891.db2.gz MMNPGIWGGIUGIM-CYBMUJFWSA-N 2 2 254.374 0.960 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH2+][C@H](c2ccc(F)cc2)C1 ZINC000874896725 615863898 /nfs/dbraw/zinc/86/38/98/615863898.db2.gz PWXBKBVYTSHYTA-ZDUSSCGKSA-N 2 2 265.332 0.860 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](CC[C@@H]2COC(C)(C)O2)CC1 ZINC000851726746 615864106 /nfs/dbraw/zinc/86/41/06/615864106.db2.gz VMFDVKJWJMWTTR-CYBMUJFWSA-N 2 2 299.415 0.234 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(N)cc1O ZINC000852847555 615880024 /nfs/dbraw/zinc/88/00/24/615880024.db2.gz UHVGDBHFYKUTNS-UHFFFAOYSA-N 2 2 294.399 0.588 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(N)cc1O ZINC000852847555 615880027 /nfs/dbraw/zinc/88/00/27/615880027.db2.gz UHVGDBHFYKUTNS-UHFFFAOYSA-N 2 2 294.399 0.588 20 0 CCADLP Cn1ccnc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000853825779 615880296 /nfs/dbraw/zinc/88/02/96/615880296.db2.gz UTJCFBFALVPKDN-UHFFFAOYSA-N 2 2 267.377 0.033 20 0 CCADLP Cn1ccnc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000853825779 615880298 /nfs/dbraw/zinc/88/02/98/615880298.db2.gz UTJCFBFALVPKDN-UHFFFAOYSA-N 2 2 267.377 0.033 20 0 CCADLP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CCO1 ZINC000869313953 615887780 /nfs/dbraw/zinc/88/77/80/615887780.db2.gz MKLWDJFYJTWXLI-DGCLKSJQSA-N 2 2 296.371 0.012 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nn1cnc2ccccc21 ZINC000846666215 615911318 /nfs/dbraw/zinc/91/13/18/615911318.db2.gz DZRAFHYSPDHJGN-SNVBAGLBSA-N 2 2 261.329 0.385 20 0 CCADLP C[NH+](C)CC[C@H](N)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000846673732 615912930 /nfs/dbraw/zinc/91/29/30/615912930.db2.gz WBJOQCRURFIPQK-STQMWFEESA-N 2 2 295.431 0.693 20 0 CCADLP CC[C@H]1C[C@@H](CN2CC[NH2+]CC[NH2+]CC2)CCO1 ZINC000904396000 615932598 /nfs/dbraw/zinc/93/25/98/615932598.db2.gz BJSDGZVRNLYTHC-KBPBESRZSA-N 2 2 255.406 0.686 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925609877 615944700 /nfs/dbraw/zinc/94/47/00/615944700.db2.gz WWBIJSVPYZTWPN-QLFBSQMISA-N 3 2 269.433 0.667 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CC[N@@H+]1C)c1ccco1 ZINC000913868994 615990195 /nfs/dbraw/zinc/99/01/95/615990195.db2.gz APIWOIPZOLQGMN-VXGBXAGGSA-N 2 2 280.372 0.886 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CC[N@H+]1C)c1ccco1 ZINC000913868994 615990198 /nfs/dbraw/zinc/99/01/98/615990198.db2.gz APIWOIPZOLQGMN-VXGBXAGGSA-N 2 2 280.372 0.886 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H](O)CC3(O)CCCCC3)C[C@H]21 ZINC000931276369 615998645 /nfs/dbraw/zinc/99/86/45/615998645.db2.gz GFDZSXLKLBJZAL-KBXIAJHMSA-N 2 2 282.428 0.924 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H](O)CC3(O)CCCCC3)C[C@H]21 ZINC000931276369 615998646 /nfs/dbraw/zinc/99/86/46/615998646.db2.gz GFDZSXLKLBJZAL-KBXIAJHMSA-N 2 2 282.428 0.924 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)n1C ZINC000896334510 616036093 /nfs/dbraw/zinc/03/60/93/616036093.db2.gz ORLGRFPCUPBAJE-GFCCVEGCSA-N 2 2 293.415 0.975 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)[C@H]2CC[N@H+]2C(C)(C)C)n1C ZINC000896334510 616036094 /nfs/dbraw/zinc/03/60/94/616036094.db2.gz ORLGRFPCUPBAJE-GFCCVEGCSA-N 2 2 293.415 0.975 20 0 CCADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000898889086 616048652 /nfs/dbraw/zinc/04/86/52/616048652.db2.gz NUPUHYKIJZRBGH-QWRGUYRKSA-N 2 2 298.412 0.007 20 0 CCADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000898889086 616048653 /nfs/dbraw/zinc/04/86/53/616048653.db2.gz NUPUHYKIJZRBGH-QWRGUYRKSA-N 2 2 298.412 0.007 20 0 CCADLP C[N@H+](CC(=O)N[C@@H]1CCc2c[nH+]cn2C1)C1CCC1 ZINC000863916330 616048894 /nfs/dbraw/zinc/04/88/94/616048894.db2.gz YSHOIHIEJMNSSC-LLVKDONJSA-N 2 2 262.357 0.798 20 0 CCADLP C[N@@H+](CC(=O)N[C@@H]1CCc2c[nH+]cn2C1)C1CCC1 ZINC000863916330 616048895 /nfs/dbraw/zinc/04/88/95/616048895.db2.gz YSHOIHIEJMNSSC-LLVKDONJSA-N 2 2 262.357 0.798 20 0 CCADLP C[N@H+](CCC[NH3+])Cc1cc(-c2csnn2)no1 ZINC000901404551 616074308 /nfs/dbraw/zinc/07/43/08/616074308.db2.gz JEDQBCBVMZRFEG-UHFFFAOYSA-N 2 2 253.331 0.974 20 0 CCADLP C[N@@H+](CCC[NH3+])Cc1cc(-c2csnn2)no1 ZINC000901404551 616074309 /nfs/dbraw/zinc/07/43/09/616074309.db2.gz JEDQBCBVMZRFEG-UHFFFAOYSA-N 2 2 253.331 0.974 20 0 CCADLP C[N@@H+](Cc1ccon1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903733209 616087884 /nfs/dbraw/zinc/08/78/84/616087884.db2.gz IYZLHMNIICFMIP-QWHCGFSZSA-N 2 2 251.330 0.875 20 0 CCADLP C[N@H+](Cc1ccon1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903733209 616087885 /nfs/dbraw/zinc/08/78/85/616087885.db2.gz IYZLHMNIICFMIP-QWHCGFSZSA-N 2 2 251.330 0.875 20 0 CCADLP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccc(O)cc1 ZINC000843349091 616088435 /nfs/dbraw/zinc/08/84/35/616088435.db2.gz GUHVLQFHDHSEGD-UHFFFAOYSA-N 2 2 292.383 0.168 20 0 CCADLP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccc(O)cc1 ZINC000843349091 616088437 /nfs/dbraw/zinc/08/84/37/616088437.db2.gz GUHVLQFHDHSEGD-UHFFFAOYSA-N 2 2 292.383 0.168 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]CC[S@@](=O)C(C)(C)C)C1CC1 ZINC000819055968 616131557 /nfs/dbraw/zinc/13/15/57/616131557.db2.gz IMURDFVWQGRVCP-KPZWWZAWSA-N 2 2 276.446 0.578 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]CC[S@@](=O)C(C)(C)C)C1CC1 ZINC000819055968 616131559 /nfs/dbraw/zinc/13/15/59/616131559.db2.gz IMURDFVWQGRVCP-KPZWWZAWSA-N 2 2 276.446 0.578 20 0 CCADLP C[N@H+](C[C@@H]1CCOC1)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972618563 616144762 /nfs/dbraw/zinc/14/47/62/616144762.db2.gz KBVGXXHKIOCBQK-QWHCGFSZSA-N 2 2 292.383 0.521 20 0 CCADLP C[N@@H+](C[C@@H]1CCOC1)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972618563 616144763 /nfs/dbraw/zinc/14/47/63/616144763.db2.gz KBVGXXHKIOCBQK-QWHCGFSZSA-N 2 2 292.383 0.521 20 0 CCADLP C[N@H+]1CC=C(CNC(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000867229480 616165207 /nfs/dbraw/zinc/16/52/07/616165207.db2.gz IPIDRPDNUQREGR-IHWYPQMZSA-N 2 2 279.384 0.253 20 0 CCADLP C[N@@H+]1CC=C(CNC(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000867229480 616165209 /nfs/dbraw/zinc/16/52/09/616165209.db2.gz IPIDRPDNUQREGR-IHWYPQMZSA-N 2 2 279.384 0.253 20 0 CCADLP Cn1nc2c(c1C[NH2+]C1(CCO)CC[NH+](C)CC1)CCC2 ZINC000922212124 616168769 /nfs/dbraw/zinc/16/87/69/616168769.db2.gz MRVFSTWQUSGSQL-UHFFFAOYSA-N 2 2 292.427 0.845 20 0 CCADLP CN(C(=O)CCF)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900669654 616172413 /nfs/dbraw/zinc/17/24/13/616172413.db2.gz OKAJLHIFQRVKGI-CYBMUJFWSA-N 2 2 271.380 0.973 20 0 CCADLP CN(C(=O)CCF)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900669654 616172414 /nfs/dbraw/zinc/17/24/14/616172414.db2.gz OKAJLHIFQRVKGI-CYBMUJFWSA-N 2 2 271.380 0.973 20 0 CCADLP Cn1ncc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)n1 ZINC000815121408 616172512 /nfs/dbraw/zinc/17/25/12/616172512.db2.gz AIKQDQAOXHUFPJ-UHFFFAOYSA-N 2 2 292.431 0.463 20 0 CCADLP Cn1c[nH+]cc1CNC(=S)NC1CC[NH+](C)CC1 ZINC000811700531 616174258 /nfs/dbraw/zinc/17/42/58/616174258.db2.gz BXWJMSVLYUCGJL-UHFFFAOYSA-N 2 2 267.402 0.478 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CCC12CC[NH+](C)CC2 ZINC000894914981 616176672 /nfs/dbraw/zinc/17/66/72/616176672.db2.gz ZAEUAYUKPPOTOD-UHFFFAOYSA-N 2 2 277.372 0.800 20 0 CCADLP C[N@@H+]1CCCC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000913005987 616178389 /nfs/dbraw/zinc/17/83/89/616178389.db2.gz KIMQDYQAPCNGQI-NSHDSACASA-N 2 2 250.346 0.800 20 0 CCADLP C[N@H+]1CCCC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000913005987 616178390 /nfs/dbraw/zinc/17/83/90/616178390.db2.gz KIMQDYQAPCNGQI-NSHDSACASA-N 2 2 250.346 0.800 20 0 CCADLP C[N@@H+]1CCC[C@@H](CNC(=O)CNc2cccc[nH+]2)C1 ZINC000900630027 616188022 /nfs/dbraw/zinc/18/80/22/616188022.db2.gz FWOLKTICRQFRRW-LBPRGKRZSA-N 2 2 262.357 0.952 20 0 CCADLP C[N@H+]1CCC[C@@H](CNC(=O)CNc2cccc[nH+]2)C1 ZINC000900630027 616188023 /nfs/dbraw/zinc/18/80/23/616188023.db2.gz FWOLKTICRQFRRW-LBPRGKRZSA-N 2 2 262.357 0.952 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000221146476 616196436 /nfs/dbraw/zinc/19/64/36/616196436.db2.gz SHIDLBDFEOULSI-CYBMUJFWSA-N 2 2 277.368 0.735 20 0 CCADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000221146476 616196437 /nfs/dbraw/zinc/19/64/37/616196437.db2.gz SHIDLBDFEOULSI-CYBMUJFWSA-N 2 2 277.368 0.735 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000894912509 616198671 /nfs/dbraw/zinc/19/86/71/616198671.db2.gz DTXCZOSOGLZMAV-QWHCGFSZSA-N 2 2 277.372 0.798 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000894912509 616198672 /nfs/dbraw/zinc/19/86/72/616198672.db2.gz DTXCZOSOGLZMAV-QWHCGFSZSA-N 2 2 277.372 0.798 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H]1CCc2ncnn21 ZINC000880142897 616199368 /nfs/dbraw/zinc/19/93/68/616199368.db2.gz VTZCBNCDLZCAIU-FRRDWIJNSA-N 2 2 261.373 0.934 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H]1CCc2ncnn21 ZINC000880142897 616199369 /nfs/dbraw/zinc/19/93/69/616199369.db2.gz VTZCBNCDLZCAIU-FRRDWIJNSA-N 2 2 261.373 0.934 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H]1CCc2ncnn21 ZINC000880142897 616199370 /nfs/dbraw/zinc/19/93/70/616199370.db2.gz VTZCBNCDLZCAIU-FRRDWIJNSA-N 2 2 261.373 0.934 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@H]1CCc2ncnn21 ZINC000880142897 616199371 /nfs/dbraw/zinc/19/93/71/616199371.db2.gz VTZCBNCDLZCAIU-FRRDWIJNSA-N 2 2 261.373 0.934 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@@H](O)Cn1cccn1 ZINC000880133864 616200676 /nfs/dbraw/zinc/20/06/76/616200676.db2.gz QSZNGIPLYMWSBN-MGPQQGTHSA-N 2 2 264.373 0.413 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@@H](O)Cn1cccn1 ZINC000880133864 616200677 /nfs/dbraw/zinc/20/06/77/616200677.db2.gz QSZNGIPLYMWSBN-MGPQQGTHSA-N 2 2 264.373 0.413 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H](O)Cn1cccn1 ZINC000880133864 616200678 /nfs/dbraw/zinc/20/06/78/616200678.db2.gz QSZNGIPLYMWSBN-MGPQQGTHSA-N 2 2 264.373 0.413 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@@H](O)Cn1cccn1 ZINC000880133864 616200679 /nfs/dbraw/zinc/20/06/79/616200679.db2.gz QSZNGIPLYMWSBN-MGPQQGTHSA-N 2 2 264.373 0.413 20 0 CCADLP CN1CCC[C@H]([N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)C1=O ZINC000872148378 616206592 /nfs/dbraw/zinc/20/65/92/616206592.db2.gz DDIZSJYFXOCGOD-UTLUCORTSA-N 2 2 279.306 0.676 20 0 CCADLP CN1CCC[C@H]([N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)C1=O ZINC000872148378 616206593 /nfs/dbraw/zinc/20/65/93/616206593.db2.gz DDIZSJYFXOCGOD-UTLUCORTSA-N 2 2 279.306 0.676 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000924839795 616223730 /nfs/dbraw/zinc/22/37/30/616223730.db2.gz PNNOAQDSXWXXFA-GOEBONIOSA-N 2 2 295.427 0.555 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)CC1 ZINC000921607903 616223795 /nfs/dbraw/zinc/22/37/95/616223795.db2.gz CILJRLXMHFVHAU-SOUVJXGZSA-N 2 2 295.427 0.555 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000932526284 616238743 /nfs/dbraw/zinc/23/87/43/616238743.db2.gz MRXQBDBCGOGSKF-GFCCVEGCSA-N 2 2 287.367 0.539 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000932526284 616238744 /nfs/dbraw/zinc/23/87/44/616238744.db2.gz MRXQBDBCGOGSKF-GFCCVEGCSA-N 2 2 287.367 0.539 20 0 CCADLP C[NH+]1CCN(C2CC[NH+](Cc3ccc(CO)o3)CC2)CC1 ZINC000877747411 616239327 /nfs/dbraw/zinc/23/93/27/616239327.db2.gz KMMFVJKGQWCNGL-UHFFFAOYSA-N 2 2 293.411 0.984 20 0 CCADLP C[NH+]1CCN(C2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)CC1 ZINC000873221941 616239350 /nfs/dbraw/zinc/23/93/50/616239350.db2.gz URLXQTWIRNXVMS-MRXNPFEDSA-N 3 2 280.460 0.698 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC000812322020 616314711 /nfs/dbraw/zinc/31/47/11/616314711.db2.gz GOJZKGKDGBFHOB-NEPJUHHUSA-N 2 2 262.357 0.752 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC000812322020 616314718 /nfs/dbraw/zinc/31/47/18/616314718.db2.gz GOJZKGKDGBFHOB-NEPJUHHUSA-N 2 2 262.357 0.752 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC000812322020 616314722 /nfs/dbraw/zinc/31/47/22/616314722.db2.gz GOJZKGKDGBFHOB-NEPJUHHUSA-N 2 2 262.357 0.752 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC000812322020 616314728 /nfs/dbraw/zinc/31/47/28/616314728.db2.gz GOJZKGKDGBFHOB-NEPJUHHUSA-N 2 2 262.357 0.752 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000868694078 616319860 /nfs/dbraw/zinc/31/98/60/616319860.db2.gz UWLCEDJJIZWHOI-TZMCWYRMSA-N 2 2 291.399 0.698 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000868694078 616319864 /nfs/dbraw/zinc/31/98/64/616319864.db2.gz UWLCEDJJIZWHOI-TZMCWYRMSA-N 2 2 291.399 0.698 20 0 CCADLP COCC[N@@H+]1CCCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000982036488 616330050 /nfs/dbraw/zinc/33/00/50/616330050.db2.gz IRHIWHFWEFFALM-UHFFFAOYSA-N 2 2 292.383 0.523 20 0 CCADLP COCC[N@H+]1CCCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000982036488 616330056 /nfs/dbraw/zinc/33/00/56/616330056.db2.gz IRHIWHFWEFFALM-UHFFFAOYSA-N 2 2 292.383 0.523 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cnsn3)C2)C1 ZINC000970712553 616362556 /nfs/dbraw/zinc/36/25/56/616362556.db2.gz PPFKZSNIYPWCSI-WDEREUQCSA-N 2 2 295.412 0.180 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cnsn3)C2)C1 ZINC000970712553 616362559 /nfs/dbraw/zinc/36/25/59/616362559.db2.gz PPFKZSNIYPWCSI-WDEREUQCSA-N 2 2 295.412 0.180 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000957782525 616362607 /nfs/dbraw/zinc/36/26/07/616362607.db2.gz HDKBCNCFMLDPEA-OAHLLOKOSA-N 2 2 297.443 0.897 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000948759620 616366298 /nfs/dbraw/zinc/36/62/98/616366298.db2.gz DZNZLRGVEGUAHH-ZDUSSCGKSA-N 2 2 269.389 0.117 20 0 CCADLP C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@]2(C)C1 ZINC000887926017 616380698 /nfs/dbraw/zinc/38/06/98/616380698.db2.gz XHLSIYNAQXILHX-IOASZLSFSA-N 2 2 288.395 0.856 20 0 CCADLP C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@]2(C)C1 ZINC000887926017 616380704 /nfs/dbraw/zinc/38/07/04/616380704.db2.gz XHLSIYNAQXILHX-IOASZLSFSA-N 2 2 288.395 0.856 20 0 CCADLP C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@]2(C)C1 ZINC000887929222 616381011 /nfs/dbraw/zinc/38/10/11/616381011.db2.gz OBWWNDMWQGHGEH-IOASZLSFSA-N 2 2 288.395 0.856 20 0 CCADLP C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@]2(C)C1 ZINC000887929222 616381015 /nfs/dbraw/zinc/38/10/15/616381015.db2.gz OBWWNDMWQGHGEH-IOASZLSFSA-N 2 2 288.395 0.856 20 0 CCADLP C[N@@H+]1C[C@]2(C)C[NH+](C[C@@H](O)C3(O)CCOCC3)C[C@]2(C)C1 ZINC000931316698 616397309 /nfs/dbraw/zinc/39/73/09/616397309.db2.gz JPOATTUWNWAFRL-KFWWJZLASA-N 2 2 298.427 0.162 20 0 CCADLP C[N@H+]1C[C@]2(C)C[NH+](C[C@@H](O)C3(O)CCOCC3)C[C@]2(C)C1 ZINC000931316698 616397315 /nfs/dbraw/zinc/39/73/15/616397315.db2.gz JPOATTUWNWAFRL-KFWWJZLASA-N 2 2 298.427 0.162 20 0 CCADLP C[NH+]1C[C@]2(C)C[N@H+](C[C@@H](O)C3(O)CCOCC3)C[C@]2(C)C1 ZINC000931316698 616397319 /nfs/dbraw/zinc/39/73/19/616397319.db2.gz JPOATTUWNWAFRL-KFWWJZLASA-N 2 2 298.427 0.162 20 0 CCADLP C[NH+]1C[C@]2(C)C[N@@H+](C[C@@H](O)C3(O)CCOCC3)C[C@]2(C)C1 ZINC000931316698 616397325 /nfs/dbraw/zinc/39/73/25/616397325.db2.gz JPOATTUWNWAFRL-KFWWJZLASA-N 2 2 298.427 0.162 20 0 CCADLP COC1(OC)CC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000924752297 616485365 /nfs/dbraw/zinc/48/53/65/616485365.db2.gz AHTIBKLZMQPWEI-NWDGAFQWSA-N 2 2 258.362 0.184 20 0 CCADLP C[NH+]1C[C@]2(C)C[NH+](CCN3C(=O)CCC3=O)C[C@@]2(C)C1 ZINC000931309975 616513746 /nfs/dbraw/zinc/51/37/46/616513746.db2.gz WKQKXBSWJQTETC-HUUCEWRRSA-N 2 2 279.384 0.409 20 0 CCADLP C[NH+]1C[C@]2(C)C[NH+](C[C@H](O)C[C@@]3(O)CCOC3)C[C@@]2(C)C1 ZINC000931317590 616514030 /nfs/dbraw/zinc/51/40/30/616514030.db2.gz POISWLULCQXEBQ-FPCVCCKLSA-N 2 2 298.427 0.162 20 0 CCADLP C[NH+]1C[C@]2(C)C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC000931312999 616514495 /nfs/dbraw/zinc/51/44/95/616514495.db2.gz XLZURSXINIPSKZ-LERXQTSPSA-N 2 2 265.357 0.065 20 0 CCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925728393 616517668 /nfs/dbraw/zinc/51/76/68/616517668.db2.gz UGCPCLYRYXUTPA-HIFRSBDPSA-N 2 2 261.369 0.751 20 0 CCADLP C[N@H+]1Cc2ccccc2[C@@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925728393 616517672 /nfs/dbraw/zinc/51/76/72/616517672.db2.gz UGCPCLYRYXUTPA-HIFRSBDPSA-N 2 2 261.369 0.751 20 0 CCADLP COC(=O)[C@@](C)(Cn1cccn1)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903863405 616535728 /nfs/dbraw/zinc/53/57/28/616535728.db2.gz LNGFQZGRPNGRIY-MBNYWOFBSA-N 2 2 280.372 0.532 20 0 CCADLP COCCOC[C@@H](O)C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923531673 616560066 /nfs/dbraw/zinc/56/00/66/616560066.db2.gz VIOLCXJWKZDXPF-KBPBESRZSA-N 2 2 272.389 0.228 20 0 CCADLP COCCOC[C@@H](O)C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923531673 616560068 /nfs/dbraw/zinc/56/00/68/616560068.db2.gz VIOLCXJWKZDXPF-KBPBESRZSA-N 2 2 272.389 0.228 20 0 CCADLP COCCOC[C@@H]1CC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903898219 616562579 /nfs/dbraw/zinc/56/25/79/616562579.db2.gz MMFFBHFKHGNIGQ-MNOVXSKESA-N 2 2 266.332 0.954 20 0 CCADLP COCCOC[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903898219 616562581 /nfs/dbraw/zinc/56/25/81/616562581.db2.gz MMFFBHFKHGNIGQ-MNOVXSKESA-N 2 2 266.332 0.954 20 0 CCADLP COCCS(=O)(=O)CCC[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000843353127 616604919 /nfs/dbraw/zinc/60/49/19/616604919.db2.gz CKHJKFHEBFPPKQ-QWHCGFSZSA-N 2 2 292.445 0.497 20 0 CCADLP COCCS(=O)(=O)CCC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000843353127 616604923 /nfs/dbraw/zinc/60/49/23/616604923.db2.gz CKHJKFHEBFPPKQ-QWHCGFSZSA-N 2 2 292.445 0.497 20 0 CCADLP COCC[C@@H]([NH3+])C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000884346789 616636652 /nfs/dbraw/zinc/63/66/52/616636652.db2.gz BGWSWQYYPYDJQV-GFCCVEGCSA-N 2 2 251.330 0.678 20 0 CCADLP COC(=O)[C@H]1[C@H](C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1(F)F ZINC000894581369 616737784 /nfs/dbraw/zinc/73/77/84/616737784.db2.gz PWRVGZVCJAWDTO-ZRUFSTJUSA-N 2 2 274.311 0.534 20 0 CCADLP COC(=O)[C@H]1[C@H](C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1(F)F ZINC000894581369 616737786 /nfs/dbraw/zinc/73/77/86/616737786.db2.gz PWRVGZVCJAWDTO-ZRUFSTJUSA-N 2 2 274.311 0.534 20 0 CCADLP COC(=O)[C@H]1[C@H](C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C1(F)F ZINC000894581369 616737788 /nfs/dbraw/zinc/73/77/88/616737788.db2.gz PWRVGZVCJAWDTO-ZRUFSTJUSA-N 2 2 274.311 0.534 20 0 CCADLP COC(=O)[C@H]1[C@H](C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C1(F)F ZINC000894581369 616737789 /nfs/dbraw/zinc/73/77/89/616737789.db2.gz PWRVGZVCJAWDTO-ZRUFSTJUSA-N 2 2 274.311 0.534 20 0 CCADLP CNC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000805826058 616773794 /nfs/dbraw/zinc/77/37/94/616773794.db2.gz OKUMEGWVASAZTN-UONOGXRCSA-N 2 2 299.415 0.654 20 0 CCADLP CNC(=O)OC[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000805826058 616773800 /nfs/dbraw/zinc/77/38/00/616773800.db2.gz OKUMEGWVASAZTN-UONOGXRCSA-N 2 2 299.415 0.654 20 0 CCADLP COC[C@@H](C)[NH+]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000950524281 616805519 /nfs/dbraw/zinc/80/55/19/616805519.db2.gz JHOBKEXUTDCZGE-CQSZACIVSA-N 2 2 297.443 0.897 20 0 CCADLP COC[C@@H](C)[NH+]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000950524281 616805522 /nfs/dbraw/zinc/80/55/22/616805522.db2.gz JHOBKEXUTDCZGE-CQSZACIVSA-N 2 2 297.443 0.897 20 0 CCADLP COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H]2C[NH2+]CCOC2)C1 ZINC000925645063 616840511 /nfs/dbraw/zinc/84/05/11/616840511.db2.gz OYWTUCXSPSPWDX-RWMBFGLXSA-N 2 2 285.388 0.431 20 0 CCADLP COCCCN(C(=O)Cc1[nH]cc[nH+]1)C1CC[NH+](C)CC1 ZINC000854528967 616871523 /nfs/dbraw/zinc/87/15/23/616871523.db2.gz WCSXQYAGRNGONE-UHFFFAOYSA-N 2 2 294.399 0.912 20 0 CCADLP CNC(=O)[C@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)CCO1 ZINC000873209240 616889764 /nfs/dbraw/zinc/88/97/64/616889764.db2.gz ITVVSSZKWXWGTR-GFCCVEGCSA-N 2 2 295.408 0.341 20 0 CCADLP CNC(=O)[C@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)CCO1 ZINC000873209240 616889766 /nfs/dbraw/zinc/88/97/66/616889766.db2.gz ITVVSSZKWXWGTR-GFCCVEGCSA-N 2 2 295.408 0.341 20 0 CCADLP COC[C@@H](O)C[N@@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000923339597 616908233 /nfs/dbraw/zinc/90/82/33/616908233.db2.gz YLSKWNJSAWDGHC-STQMWFEESA-N 2 2 299.440 0.870 20 0 CCADLP COC[C@@H](O)C[N@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000923339597 616908234 /nfs/dbraw/zinc/90/82/34/616908234.db2.gz YLSKWNJSAWDGHC-STQMWFEESA-N 2 2 299.440 0.870 20 0 CCADLP COC[C@@H]1C[NH2+]CCN1C(=O)Nc1cc(C)[nH+]cc1C ZINC000904397239 616967569 /nfs/dbraw/zinc/96/75/69/616967569.db2.gz BVHKPINQMFVKDP-LBPRGKRZSA-N 2 2 278.356 0.572 20 0 CCADLP C[NH2+]C[C@H]1CCCC[N@@H+]1C[C@H](O)COC[C@H]1CCCO1 ZINC000923423725 616996765 /nfs/dbraw/zinc/99/67/65/616996765.db2.gz MRARZJRUUFDIDJ-QLFBSQMISA-N 2 2 286.416 0.617 20 0 CCADLP C[NH2+]C[C@H]1CCCC[N@H+]1C[C@H](O)COC[C@H]1CCCO1 ZINC000923423725 616996768 /nfs/dbraw/zinc/99/67/68/616996768.db2.gz MRARZJRUUFDIDJ-QLFBSQMISA-N 2 2 286.416 0.617 20 0 CCADLP COCC[N@H+](CCF)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903932527 617011802 /nfs/dbraw/zinc/01/18/02/617011802.db2.gz DGIQHQBDYYNHQF-CYBMUJFWSA-N 2 2 286.395 0.764 20 0 CCADLP COCC[N@@H+](CCF)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903932527 617011807 /nfs/dbraw/zinc/01/18/07/617011807.db2.gz DGIQHQBDYYNHQF-CYBMUJFWSA-N 2 2 286.395 0.764 20 0 CCADLP COC[C@@](C)(CC(=O)OC)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903905607 617015416 /nfs/dbraw/zinc/01/54/16/617015416.db2.gz JTRLJVXTSLXWNX-GZMMTYOYSA-N 2 2 268.304 0.527 20 0 CCADLP C[NH2+][C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000884009275 617047638 /nfs/dbraw/zinc/04/76/38/617047638.db2.gz RNCLVSDGWNOMEM-LLVKDONJSA-N 2 2 250.346 0.747 20 0 CCADLP CON1CC[C@H]([N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)C1=O ZINC000930055659 617099039 /nfs/dbraw/zinc/09/90/39/617099039.db2.gz QCHBHRBLVNRHEI-FRRDWIJNSA-N 2 2 278.356 0.928 20 0 CCADLP CON1CC[C@H]([N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)C1=O ZINC000930055659 617099040 /nfs/dbraw/zinc/09/90/40/617099040.db2.gz QCHBHRBLVNRHEI-FRRDWIJNSA-N 2 2 278.356 0.928 20 0 CCADLP CO[C@@H](C)C[NH+]1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000957511628 617153064 /nfs/dbraw/zinc/15/30/64/617153064.db2.gz HDFXEYQKBCSZLM-ZDUSSCGKSA-N 2 2 294.399 0.532 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](C[NH2+]CC2CC2)C1 ZINC001027091416 625729371 /nfs/dbraw/zinc/72/93/71/625729371.db2.gz MGLFKDGBCMQTAH-GFCCVEGCSA-N 2 2 262.357 0.800 20 0 CCADLP CC[NH2+]C1CCC(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001026592713 625477428 /nfs/dbraw/zinc/47/74/28/625477428.db2.gz MXVNOBCXVLSRPV-UHFFFAOYSA-N 2 2 264.373 1.000 20 0 CCADLP C[C@@H]1COC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000926411736 622741224 /nfs/dbraw/zinc/74/12/24/622741224.db2.gz SVFLSLIDOGWKJI-VAQLIOGMSA-N 2 2 295.427 0.695 20 0 CCADLP C[C@@H]1COC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000926411736 622741228 /nfs/dbraw/zinc/74/12/28/622741228.db2.gz SVFLSLIDOGWKJI-VAQLIOGMSA-N 2 2 295.427 0.695 20 0 CCADLP CON(C)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000091632121 622886776 /nfs/dbraw/zinc/88/67/76/622886776.db2.gz VUOXJAVOAOKDJF-TZMCWYRMSA-N 2 2 281.400 0.955 20 0 CCADLP CON(C)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000091632121 622886780 /nfs/dbraw/zinc/88/67/80/622886780.db2.gz VUOXJAVOAOKDJF-TZMCWYRMSA-N 2 2 281.400 0.955 20 0 CCADLP CON(C)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000091632121 622886782 /nfs/dbraw/zinc/88/67/82/622886782.db2.gz VUOXJAVOAOKDJF-TZMCWYRMSA-N 2 2 281.400 0.955 20 0 CCADLP CON(C)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000091632121 622886787 /nfs/dbraw/zinc/88/67/87/622886787.db2.gz VUOXJAVOAOKDJF-TZMCWYRMSA-N 2 2 281.400 0.955 20 0 CCADLP Cc1cc(N)nc(N[C@@H](C)[C@H](C)[NH+]2CCOCC2)[nH+]1 ZINC000892339439 622920004 /nfs/dbraw/zinc/92/00/04/622920004.db2.gz ICWSKUKVAJHZJH-QWRGUYRKSA-N 2 2 265.361 0.888 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]Cc2nccs2)C1 ZINC001023159240 622931051 /nfs/dbraw/zinc/93/10/51/622931051.db2.gz UZAXMDGXQPCLHW-PHIMTYICSA-N 2 2 291.380 0.777 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)c2coc(C[NH3+])c2)CC1 ZINC000188057352 623203353 /nfs/dbraw/zinc/20/33/53/623203353.db2.gz MRRNQJXAVIBVTN-UHFFFAOYSA-N 2 2 251.330 0.905 20 0 CCADLP C[C@@H](CN[C@@H]1C[NH2+]CCOC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000925701899 625633969 /nfs/dbraw/zinc/63/39/69/625633969.db2.gz HXPMXBXZDWBGAS-IGQOVBAYSA-N 2 2 271.405 0.062 20 0 CCADLP C[C@@H](CN[C@@H]1C[NH2+]CCOC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000925701899 625633978 /nfs/dbraw/zinc/63/39/78/625633978.db2.gz HXPMXBXZDWBGAS-IGQOVBAYSA-N 2 2 271.405 0.062 20 0 CCADLP CC[C@@H](C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)[NH+](C)C ZINC000163957361 623639420 /nfs/dbraw/zinc/63/94/20/623639420.db2.gz XYGRCCDWMZFTSX-UPJWGTAASA-N 2 2 271.405 0.552 20 0 CCADLP CC(=O)NC1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000311832171 623802713 /nfs/dbraw/zinc/80/27/13/623802713.db2.gz FJCMINGCHAOWGF-AWEZNQCLSA-N 2 2 269.389 0.044 20 0 CCADLP CC(C)[NH2+][C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001019800711 623910846 /nfs/dbraw/zinc/91/08/46/623910846.db2.gz VIBZDFMOLQBCAY-LSDHHAIUSA-N 2 2 295.427 0.696 20 0 CCADLP Cn1ccc(C[NH2+][C@H]2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001020635136 624555944 /nfs/dbraw/zinc/55/59/44/624555944.db2.gz GTKKXNUHEJJZMJ-HAQNSBGRSA-N 2 2 288.355 0.123 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+]Cc2cccnc2)C1 ZINC001020637301 624556779 /nfs/dbraw/zinc/55/67/79/624556779.db2.gz PQPLYRYMAKBYPN-JOCQHMNTSA-N 2 2 285.351 0.784 20 0 CCADLP C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1C[NH+](CCF)C1 ZINC000969957273 624564811 /nfs/dbraw/zinc/56/48/11/624564811.db2.gz CZLSGIXDHUFSES-NQBHXWOUSA-N 2 2 287.379 0.112 20 0 CCADLP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1C[NH+](CCF)C1 ZINC000969957273 624564817 /nfs/dbraw/zinc/56/48/17/624564817.db2.gz CZLSGIXDHUFSES-NQBHXWOUSA-N 2 2 287.379 0.112 20 0 CCADLP Cn1cc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)cn1 ZINC000970097387 624597933 /nfs/dbraw/zinc/59/79/33/624597933.db2.gz DESZIMDDNRFEIA-GFCCVEGCSA-N 2 2 288.355 0.076 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC001020817546 624606892 /nfs/dbraw/zinc/60/68/92/624606892.db2.gz WYZRAWVAADFMJB-JHJVBQTASA-N 2 2 292.383 0.616 20 0 CCADLP C[C@H](CC(=O)N1CC[C@@H]([NH2+]CCF)C1)n1cc[nH+]c1 ZINC000970128144 624612214 /nfs/dbraw/zinc/61/22/14/624612214.db2.gz BWPROFWRKUXAJO-VXGBXAGGSA-N 2 2 268.336 0.994 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+]Cc2ccccn2)C1 ZINC000970858245 624772538 /nfs/dbraw/zinc/77/25/38/624772538.db2.gz USUDDQWOGUSMGI-CQSZACIVSA-N 2 2 285.351 0.669 20 0 CCADLP CN(CC[NH+]1CCOCC1)C1(C[NH3+])CCCCC1 ZINC000050087997 624782631 /nfs/dbraw/zinc/78/26/31/624782631.db2.gz NBVSKDAELMRQCK-UHFFFAOYSA-N 2 2 255.406 0.912 20 0 CCADLP Cc1cc(N)nc(NCCC[NH+]2CCOCC2)[nH+]1 ZINC000891408615 624859339 /nfs/dbraw/zinc/85/93/39/624859339.db2.gz MSZKOLFPTXBCSI-UHFFFAOYSA-N 2 2 251.334 0.501 20 0 CCADLP C[C@H](NC(=O)N1C[C@H]([NH3+])C[C@@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000891517969 624881281 /nfs/dbraw/zinc/88/12/81/624881281.db2.gz OGXDYYWBCCSETR-ZDEQEGDKSA-N 2 2 284.404 0.227 20 0 CCADLP O=C(N[C@H]1C[C@@H]([NH2+]CCF)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001022303088 624917870 /nfs/dbraw/zinc/91/78/70/624917870.db2.gz ULSSGQPGYOVLFZ-SDDRHHMPSA-N 2 2 280.347 0.652 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N[C@H]2C[C@@H]([NH2+]CCF)C2)no1 ZINC001022341615 624931757 /nfs/dbraw/zinc/93/17/57/624931757.db2.gz HPZXXDVASGXZIB-AOOOYVTPSA-N 2 2 284.335 0.556 20 0 CCADLP [NH3+]CC12CCC(CC1)N2C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000891817762 624936095 /nfs/dbraw/zinc/93/60/95/624936095.db2.gz CIZAPVMVFHQMLF-BZUNDVKYSA-N 2 2 289.383 0.863 20 0 CCADLP C[C@H](NC(=O)NCc1c[nH+]cn1C)[C@@H]1CCC[NH2+]C1 ZINC000891981614 625016086 /nfs/dbraw/zinc/01/60/86/625016086.db2.gz MOLTZVBZSBBJNR-WDEREUQCSA-N 2 2 265.361 0.607 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H](C[NH2+]CC2CC2)C1 ZINC001027091417 625728994 /nfs/dbraw/zinc/72/89/94/625728994.db2.gz MGLFKDGBCMQTAH-LBPRGKRZSA-N 2 2 262.357 0.800 20 0 CCADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)COCC[NH3+] ZINC000093230646 625825846 /nfs/dbraw/zinc/82/58/46/625825846.db2.gz MCEKSCUSTCIGHK-LLVKDONJSA-N 2 2 268.361 0.389 20 0 CCADLP CC[C@@H](C[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1)OC ZINC001009717478 625913911 /nfs/dbraw/zinc/91/39/11/625913911.db2.gz OZGJIHQPKQFPQL-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP CC[C@@H](C[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1)OC ZINC001009717478 625913914 /nfs/dbraw/zinc/91/39/14/625913914.db2.gz OZGJIHQPKQFPQL-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@H](CC(N)=O)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903385037 634557633 /nfs/dbraw/zinc/55/76/33/634557633.db2.gz VEXRAKZYSMCZIZ-YPMHNXCESA-N 2 2 264.373 0.928 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000903432680 634560963 /nfs/dbraw/zinc/56/09/63/634560963.db2.gz KDFCRSLHYXMFPF-YVECIDJPSA-N 2 2 251.374 0.585 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000903432680 634560968 /nfs/dbraw/zinc/56/09/68/634560968.db2.gz KDFCRSLHYXMFPF-YVECIDJPSA-N 2 2 251.374 0.585 20 0 CCADLP c1cnc(N2CC[NH+](C[C@@H]3CCCC[NH2+]C3)CC2)cn1 ZINC000903736956 634637601 /nfs/dbraw/zinc/63/76/01/634637601.db2.gz OAFVRFHIGVNZFA-CQSZACIVSA-N 2 2 275.400 0.988 20 0 CCADLP O=C1C[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCN1C1CC1 ZINC000903730089 634632188 /nfs/dbraw/zinc/63/21/88/634632188.db2.gz UDMHZHGDOGNIOT-UKRRQHHQSA-N 2 2 279.384 0.062 20 0 CCADLP O=C1C[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCN1C1CC1 ZINC000903730089 634632193 /nfs/dbraw/zinc/63/21/93/634632193.db2.gz UDMHZHGDOGNIOT-UKRRQHHQSA-N 2 2 279.384 0.062 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903745251 634633515 /nfs/dbraw/zinc/63/35/15/634633515.db2.gz ACPWMWXPKYQNOJ-HUUCEWRRSA-N 3 2 294.443 0.272 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903745251 634633520 /nfs/dbraw/zinc/63/35/20/634633520.db2.gz ACPWMWXPKYQNOJ-HUUCEWRRSA-N 3 2 294.443 0.272 20 0 CCADLP O=S1(=O)C[C@H]2C[N@@H+](C[C@H]3CCCC[NH2+]C3)C[C@H]2C1 ZINC000903827857 634659841 /nfs/dbraw/zinc/65/98/41/634659841.db2.gz YWQWOZABNSCKIR-RWMBFGLXSA-N 2 2 272.414 0.353 20 0 CCADLP O=S1(=O)C[C@H]2C[N@H+](C[C@H]3CCCC[NH2+]C3)C[C@H]2C1 ZINC000903827857 634659846 /nfs/dbraw/zinc/65/98/46/634659846.db2.gz YWQWOZABNSCKIR-RWMBFGLXSA-N 2 2 272.414 0.353 20 0 CCADLP O=C(N1CCOCC1)C1([NH2+]C[C@H]2CCC[NH2+]2)CCCCC1 ZINC000903829751 634662025 /nfs/dbraw/zinc/66/20/25/634662025.db2.gz JLJPCWOAFDBVFN-CQSZACIVSA-N 2 2 295.427 0.890 20 0 CCADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903918451 634685197 /nfs/dbraw/zinc/68/51/97/634685197.db2.gz ZTQGOAVEWREOKZ-KBPBESRZSA-N 3 2 292.431 0.906 20 0 CCADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903918451 634685200 /nfs/dbraw/zinc/68/52/00/634685200.db2.gz ZTQGOAVEWREOKZ-KBPBESRZSA-N 3 2 292.431 0.906 20 0 CCADLP Cc1c(C[C@@H](C[NH3+])C[NH2+]CCCn2cc[nH+]c2)cnn1C ZINC000903926941 634687759 /nfs/dbraw/zinc/68/77/59/634687759.db2.gz VWBXLGNXEZOMAH-AWEZNQCLSA-N 3 2 290.415 0.722 20 0 CCADLP C[C@]1(C[NH+]2CCN(c3cnccn3)CC2)CCC[NH2+]C1 ZINC000904310200 634724653 /nfs/dbraw/zinc/72/46/53/634724653.db2.gz XZZOVBKVGODEMH-HNNXBMFYSA-N 2 2 275.400 0.988 20 0 CCADLP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](C[C@@H]([NH3+])CC(F)F)CC2 ZINC000904393353 634738380 /nfs/dbraw/zinc/73/83/80/634738380.db2.gz QVRZNRLUMVXYKQ-QWRGUYRKSA-N 3 2 277.359 0.799 20 0 CCADLP Cn1cnnc1N1CC[NH+](C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904375423 634738605 /nfs/dbraw/zinc/73/86/05/634738605.db2.gz AHSVLKXOUZONHI-CQSZACIVSA-N 2 2 278.404 0.327 20 0 CCADLP O[C@@H](C[NH2+]CCn1cc[nH+]c1)C[C@@H](O)c1ccccc1 ZINC000905037698 634780818 /nfs/dbraw/zinc/78/08/18/634780818.db2.gz ZJJVSOQBAMWYJE-HUUCEWRRSA-N 2 2 275.352 0.957 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)CC1(O)CCCC1 ZINC000905044568 634783790 /nfs/dbraw/zinc/78/37/90/634783790.db2.gz FBKNQMCCXRGWDH-QWHCGFSZSA-N 2 2 267.373 0.917 20 0 CCADLP C[C@@H]([NH2+]CC1CC1)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC000979402188 630922809 /nfs/dbraw/zinc/92/28/09/630922809.db2.gz IKASGKCIAKOOSG-BXUZGUMPSA-N 2 2 292.383 0.568 20 0 CCADLP C[C@@H]([NH2+]CC1CC1)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC000979424330 630923444 /nfs/dbraw/zinc/92/34/44/630923444.db2.gz DNUOLCDYQNPLIG-DGCLKSJQSA-N 2 2 292.383 0.568 20 0 CCADLP Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)cn1 ZINC001010369870 631352300 /nfs/dbraw/zinc/35/23/00/631352300.db2.gz PELFIMUUQDWIJY-ZIAGYGMSSA-N 2 2 291.399 0.205 20 0 CCADLP Cn1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)cn1 ZINC001010369870 631352306 /nfs/dbraw/zinc/35/23/06/631352306.db2.gz PELFIMUUQDWIJY-ZIAGYGMSSA-N 2 2 291.399 0.205 20 0 CCADLP Cn1cc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC001010369870 631352308 /nfs/dbraw/zinc/35/23/08/631352308.db2.gz PELFIMUUQDWIJY-ZIAGYGMSSA-N 2 2 291.399 0.205 20 0 CCADLP Cn1cc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)cn1 ZINC001010369870 631352310 /nfs/dbraw/zinc/35/23/10/631352310.db2.gz PELFIMUUQDWIJY-ZIAGYGMSSA-N 2 2 291.399 0.205 20 0 CCADLP C[C@@H]([NH2+]C[C@@H](O)c1ccnn1C)[C@H]1CCCC[NH2+]1 ZINC000925891750 631436926 /nfs/dbraw/zinc/43/69/26/631436926.db2.gz XHLLPKDJQDTSLC-NQBHXWOUSA-N 2 2 252.362 0.574 20 0 CCADLP C[C@H]1[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@@H+]1C ZINC000928438379 631841549 /nfs/dbraw/zinc/84/15/49/631841549.db2.gz ZNJPGNJAZHCZEQ-IRCOFANPSA-N 2 2 262.357 0.732 20 0 CCADLP C[C@H]1[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@H+]1C ZINC000928438379 631841553 /nfs/dbraw/zinc/84/15/53/631841553.db2.gz ZNJPGNJAZHCZEQ-IRCOFANPSA-N 2 2 262.357 0.732 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCC[NH+](CCCF)C2)C1 ZINC001007000043 632328036 /nfs/dbraw/zinc/32/80/36/632328036.db2.gz IIVBMXKTXYZKFH-QWHCGFSZSA-N 2 2 287.379 0.257 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCC[N@H+](CCCF)C2)C1 ZINC001007000043 632328043 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C[C@@H]1[C@@H]([NH2+]CCF)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000986216411 632730712 /nfs/dbraw/zinc/73/07/12/632730712.db2.gz VGXOEHOYRILACF-MNOVXSKESA-N 2 2 268.336 0.891 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@@H]1C ZINC000986344773 632748367 /nfs/dbraw/zinc/74/83/67/632748367.db2.gz QCDBLMDKHMNYBT-ZYHUDNBSSA-N 2 2 250.346 0.941 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@@H]1C ZINC000986344773 632748373 /nfs/dbraw/zinc/74/83/73/632748373.db2.gz QCDBLMDKHMNYBT-ZYHUDNBSSA-N 2 2 250.346 0.941 20 0 CCADLP C[C@@H]1[C@@H]([NH2+]CCF)CCN1C(=O)CCn1cc[nH+]c1 ZINC000986628706 632783746 /nfs/dbraw/zinc/78/37/46/632783746.db2.gz NMXTXYBVONTAQR-NEPJUHHUSA-N 2 2 268.336 0.822 20 0 CCADLP [NH3+]C1CC[NH+](CCNc2ncc(Cl)cn2)CC1 ZINC000321550551 632872177 /nfs/dbraw/zinc/87/21/77/632872177.db2.gz MKVODSIDKJBWOA-UHFFFAOYSA-N 2 2 255.753 0.965 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000989486055 633316244 /nfs/dbraw/zinc/31/62/44/633316244.db2.gz 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O=C(N[C@@H]1CCC[N@H+](CCF)C1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000898504157 633616484 /nfs/dbraw/zinc/61/64/84/633616484.db2.gz OMSQFOYASUUAAX-ZIAGYGMSSA-N 2 2 299.390 0.257 20 0 CCADLP c1c(CC[NH+]2CCOCC2)nnn1C[C@H]1CCCC[NH2+]C1 ZINC000899740065 633884126 /nfs/dbraw/zinc/88/41/26/633884126.db2.gz CSZZAKZCQISGMU-AWEZNQCLSA-N 2 2 293.415 0.543 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccnn1CC[NH+](C)C ZINC000900215946 633972823 /nfs/dbraw/zinc/97/28/23/633972823.db2.gz RDTRGSPYOITONC-GFCCVEGCSA-N 2 2 290.371 0.460 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@H+](C[C@H](C)O)C1 ZINC001009347067 650143211 /nfs/dbraw/zinc/14/32/11/650143211.db2.gz PFQIEFKKFZFSLC-JQWIXIFHSA-N 2 2 280.372 0.222 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@H+](C[C@H](C)O)C1 ZINC001009347066 650143406 /nfs/dbraw/zinc/14/34/06/650143406.db2.gz PFQIEFKKFZFSLC-CMPLNLGQSA-N 2 2 280.372 0.222 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC001009522579 650147149 /nfs/dbraw/zinc/14/71/49/650147149.db2.gz HCLZKESXYGHSSU-GFCCVEGCSA-N 2 2 268.336 0.742 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC001009522579 650147150 /nfs/dbraw/zinc/14/71/50/650147150.db2.gz HCLZKESXYGHSSU-GFCCVEGCSA-N 2 2 268.336 0.742 20 0 CCADLP Cc1cccc([C@@H](O)C[NH2+]C[C@H](O)C[NH+](C)C)c1 ZINC000905347452 634844563 /nfs/dbraw/zinc/84/45/63/634844563.db2.gz YTLUKOUNFHEDKM-KBPBESRZSA-N 2 2 252.358 0.541 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccn2)C1 ZINC001010370187 650207573 /nfs/dbraw/zinc/20/75/73/650207573.db2.gz UNFXKSXEMWJXOW-CABCVRRESA-N 2 2 288.395 0.866 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccn2)C1 ZINC001010370187 650207576 /nfs/dbraw/zinc/20/75/76/650207576.db2.gz UNFXKSXEMWJXOW-CABCVRRESA-N 2 2 288.395 0.866 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001010370187 650207580 /nfs/dbraw/zinc/20/75/80/650207580.db2.gz UNFXKSXEMWJXOW-CABCVRRESA-N 2 2 288.395 0.866 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001010370187 650207584 /nfs/dbraw/zinc/20/75/84/650207584.db2.gz UNFXKSXEMWJXOW-CABCVRRESA-N 2 2 288.395 0.866 20 0 CCADLP [NH3+]CC1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000911670579 636328226 /nfs/dbraw/zinc/32/82/26/636328226.db2.gz MTZAUOJNTNYEEC-GFCCVEGCSA-N 2 2 262.357 0.643 20 0 CCADLP O=C(NCC1CC[NH2+]CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000911672878 636345020 /nfs/dbraw/zinc/34/50/20/636345020.db2.gz QDENVTXJPRRVQA-GFCCVEGCSA-N 2 2 262.357 0.561 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@@H](C)[NH2+]1 ZINC000911799442 636391537 /nfs/dbraw/zinc/39/15/37/636391537.db2.gz YEBCOMFRKDLSKE-DDHJBXDOSA-N 2 2 262.357 0.732 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)[C@@H](CO)C1)[NH+]1CCCCCC1 ZINC000913549201 636844423 /nfs/dbraw/zinc/84/44/23/636844423.db2.gz XSADFUIQRQBSRJ-ZIAGYGMSSA-N 2 2 283.416 0.386 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)[C@@H](CO)C1)[NH+]1CCCCCC1 ZINC000913549201 636844427 /nfs/dbraw/zinc/84/44/27/636844427.db2.gz XSADFUIQRQBSRJ-ZIAGYGMSSA-N 2 2 283.416 0.386 20 0 CCADLP COCC[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000226517874 636987903 /nfs/dbraw/zinc/98/79/03/636987903.db2.gz HIMKSCBFDLSZID-LSDHHAIUSA-N 2 2 291.395 0.866 20 0 CCADLP COCC[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000226517874 636987908 /nfs/dbraw/zinc/98/79/08/636987908.db2.gz HIMKSCBFDLSZID-LSDHHAIUSA-N 2 2 291.395 0.866 20 0 CCADLP C[N@@H+]1CCN(Cc2ccc(Cl)nc2)[C@@H](C[NH3+])C1 ZINC000226624675 636991274 /nfs/dbraw/zinc/99/12/74/636991274.db2.gz BLZIOLIPAGLBAL-NSHDSACASA-N 2 2 254.765 0.810 20 0 CCADLP C[N@H+]1CCN(Cc2ccc(Cl)nc2)[C@@H](C[NH3+])C1 ZINC000226624675 636991276 /nfs/dbraw/zinc/99/12/76/636991276.db2.gz BLZIOLIPAGLBAL-NSHDSACASA-N 2 2 254.765 0.810 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000227362762 637021274 /nfs/dbraw/zinc/02/12/74/637021274.db2.gz FKYCKKSHMZZMKZ-LBPRGKRZSA-N 2 2 283.397 0.366 20 0 CCADLP OC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000063002401 637192654 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CCADLP C[C@@H]1[C@@H](NC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC[NH+]1C ZINC000915854092 637801221 /nfs/dbraw/zinc/80/12/21/637801221.db2.gz CYGQXOJETZDBCG-OLZOCXBDSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H]1C[N@H+](CCCO)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945809907 638795533 /nfs/dbraw/zinc/79/55/33/638795533.db2.gz WBKGAUGOXZUITB-QWHCGFSZSA-N 2 2 280.372 0.092 20 0 CCADLP C[C@H]1C[N@@H+](CCCO)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945809907 638795534 /nfs/dbraw/zinc/79/55/34/638795534.db2.gz WBKGAUGOXZUITB-QWHCGFSZSA-N 2 2 280.372 0.092 20 0 CCADLP CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1[NH2+]CCO ZINC000995933283 638805715 /nfs/dbraw/zinc/80/57/15/638805715.db2.gz KLTNNCAPQYPZEJ-WZRBSPASSA-N 2 2 292.383 0.332 20 0 CCADLP CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1[NH2+]CCO ZINC000995933283 638805716 /nfs/dbraw/zinc/80/57/16/638805716.db2.gz KLTNNCAPQYPZEJ-WZRBSPASSA-N 2 2 292.383 0.332 20 0 CCADLP CC(C)(C(=O)N1C[C@@H]([NH2+]CCO)C(C)(C)C1)c1c[nH+]c[nH]1 ZINC000996515540 638821474 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C[C@@H]1[C@@H](NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC[N@H+]1C ZINC000925345079 638972756 /nfs/dbraw/zinc/97/27/56/638972756.db2.gz WAFPLTLNHIANRR-RDBSUJKOSA-N 2 2 296.415 0.195 20 0 CCADLP CN(C(=O)Cc1[nH]cc[nH+]1)C1CC([NH2+]CC2CC2)C1 ZINC000999605640 638986342 /nfs/dbraw/zinc/98/63/42/638986342.db2.gz MCTWMQJZQQMYPE-UHFFFAOYSA-N 2 2 262.357 0.941 20 0 CCADLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]CCF)C1 ZINC000999914455 639019030 /nfs/dbraw/zinc/01/90/30/639019030.db2.gz BKWYSXWYXYKSLA-UHFFFAOYSA-N 2 2 254.309 0.432 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001004255150 639735905 /nfs/dbraw/zinc/73/59/05/639735905.db2.gz ZQTYWJDJNFODMW-CYBMUJFWSA-N 2 2 292.383 0.500 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CNC(=O)C2)C[N@@H+]1C1CC1 ZINC000922780853 639784825 /nfs/dbraw/zinc/78/48/25/639784825.db2.gz MATLZJRBGXTQBQ-IJLUTSLNSA-N 2 2 251.374 0.727 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CNC(=O)C2)C[N@H+]1C1CC1 ZINC000922780853 639784834 /nfs/dbraw/zinc/78/48/34/639784834.db2.gz MATLZJRBGXTQBQ-IJLUTSLNSA-N 2 2 251.374 0.727 20 0 CCADLP Cc1[nH+]c2n(c1C)CCN(C[C@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000923323172 640084558 /nfs/dbraw/zinc/08/45/58/640084558.db2.gz DQCOBDGHQNGQTO-CYBMUJFWSA-N 2 2 276.384 0.694 20 0 CCADLP C[N@@H+](C[C@H](O)c1ccc(F)cc1F)C[C@@H](O)C[NH3+] ZINC000923365011 640103410 /nfs/dbraw/zinc/10/34/10/640103410.db2.gz BXUXNRVSMCRALL-CABZTGNLSA-N 2 2 260.284 0.250 20 0 CCADLP C[N@H+](C[C@H](O)c1ccc(F)cc1F)C[C@@H](O)C[NH3+] ZINC000923365011 640103416 /nfs/dbraw/zinc/10/34/16/640103416.db2.gz BXUXNRVSMCRALL-CABZTGNLSA-N 2 2 260.284 0.250 20 0 CCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCS[C@H](C(F)(F)F)C2)C1 ZINC000923432662 640136232 /nfs/dbraw/zinc/13/62/32/640136232.db2.gz OYNXDTDZGZPHDT-JBDRJPRFSA-N 2 2 270.320 0.817 20 0 CCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCS[C@H](C(F)(F)F)C2)C1 ZINC000923432662 640136243 /nfs/dbraw/zinc/13/62/43/640136243.db2.gz OYNXDTDZGZPHDT-JBDRJPRFSA-N 2 2 270.320 0.817 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](CCF)C1)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001015325155 650554436 /nfs/dbraw/zinc/55/44/36/650554436.db2.gz QQFCYZJEATXWAI-DNCHLWJUSA-N 2 2 297.374 0.010 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](CCF)C1)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001015325155 650554440 /nfs/dbraw/zinc/55/44/40/650554440.db2.gz QQFCYZJEATXWAI-DNCHLWJUSA-N 2 2 297.374 0.010 20 0 CCADLP O=C(N[C@@H]1CC[NH+](CCF)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001015325155 650554443 /nfs/dbraw/zinc/55/44/43/650554443.db2.gz QQFCYZJEATXWAI-DNCHLWJUSA-N 2 2 297.374 0.010 20 0 CCADLP O=C(N[C@@H]1CC[NH+](CCF)C1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001015325155 650554447 /nfs/dbraw/zinc/55/44/47/650554447.db2.gz QQFCYZJEATXWAI-DNCHLWJUSA-N 2 2 297.374 0.010 20 0 CCADLP [NH3+][C@]1(CO)CCC[N@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000923477235 640157639 /nfs/dbraw/zinc/15/76/39/640157639.db2.gz QYCGSRYOHYJUPJ-OAHLLOKOSA-N 2 2 295.358 0.940 20 0 CCADLP [NH3+][C@]1(CO)CCC[N@@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000923477235 640157641 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279.384 0.599 20 0 CCADLP O=C1CC[C@@H]([N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)C(=O)N1 ZINC000799123675 640545217 /nfs/dbraw/zinc/54/52/17/640545217.db2.gz CHXIKCDJLLJKRE-QWHCGFSZSA-N 2 2 279.384 0.599 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000799168806 640553550 /nfs/dbraw/zinc/55/35/50/640553550.db2.gz XIIFLSOHELWANS-MNOVXSKESA-N 2 2 276.340 0.405 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000799168806 640553560 /nfs/dbraw/zinc/55/35/60/640553560.db2.gz XIIFLSOHELWANS-MNOVXSKESA-N 2 2 276.340 0.405 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000812488990 641004423 /nfs/dbraw/zinc/00/44/23/641004423.db2.gz KYDYXLLEKFMEHT-UHFFFAOYSA-N 2 2 295.387 0.018 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000812488990 641004427 /nfs/dbraw/zinc/00/44/27/641004427.db2.gz KYDYXLLEKFMEHT-UHFFFAOYSA-N 2 2 295.387 0.018 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)C[NH+]2CCCC2)[C@@H](C)CO1 ZINC000824432718 641826246 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O=C(NCCCCn1cc[nH+]c1)c1[nH]nc2c1C[NH2+]CC2 ZINC000827510195 642011105 /nfs/dbraw/zinc/01/11/05/642011105.db2.gz YTHDFUOSSLEHHO-UHFFFAOYSA-N 2 2 288.355 0.462 20 0 CCADLP C[C@@H]([NH2+]C1CC1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000829483759 642166125 /nfs/dbraw/zinc/16/61/25/642166125.db2.gz MISBMFCURBHQCE-OCCSQVGLSA-N 3 2 294.443 0.412 20 0 CCADLP C[C@@H]([NH2+]C1CC1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000829483759 642166128 /nfs/dbraw/zinc/16/61/28/642166128.db2.gz MISBMFCURBHQCE-OCCSQVGLSA-N 3 2 294.443 0.412 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000830277794 642251717 /nfs/dbraw/zinc/25/17/17/642251717.db2.gz MNCMWYAVNYFODK-CYBMUJFWSA-N 2 2 292.383 0.666 20 0 CCADLP Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000843064488 642985155 /nfs/dbraw/zinc/98/51/55/642985155.db2.gz GHPPNNCLHUCXDG-RYUDHWBXSA-N 2 2 266.389 0.903 20 0 CCADLP Cn1ccnc1[C@@H](O)[C@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000843064488 642985161 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20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000847408806 643516582 /nfs/dbraw/zinc/51/65/82/643516582.db2.gz NQFBUYGBIAWTIY-BNOWGMLFSA-N 2 2 292.383 0.568 20 0 CCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(F)(F)F ZINC000849422617 643740709 /nfs/dbraw/zinc/74/07/09/643740709.db2.gz CTDXEVJBTZKRNN-VIFPVBQESA-N 2 2 269.311 0.937 20 0 CCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(F)(F)F ZINC000849422617 643740732 /nfs/dbraw/zinc/74/07/32/643740732.db2.gz CTDXEVJBTZKRNN-VIFPVBQESA-N 2 2 269.311 0.937 20 0 CCADLP O=C1OCCN1C1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000852723188 643992470 /nfs/dbraw/zinc/99/24/70/643992470.db2.gz RDIKRJMDVRNNPO-AWEZNQCLSA-N 2 2 297.399 0.360 20 0 CCADLP O=C1OCCN1C1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000852723189 643992718 /nfs/dbraw/zinc/99/27/18/643992718.db2.gz RDIKRJMDVRNNPO-CQSZACIVSA-N 2 2 297.399 0.360 20 0 CCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(C=O)c[nH]1 ZINC000855346416 644308595 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CCADLP Cc1ccc(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])c(N(C)C)[nH+]1 ZINC000861542088 644889235 /nfs/dbraw/zinc/88/92/35/644889235.db2.gz LEQLXZDRQQSCEZ-SECBINFHSA-N 2 2 293.371 0.200 20 0 CCADLP C[C@H]1CSC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000862464504 645002267 /nfs/dbraw/zinc/00/22/67/645002267.db2.gz AGFMUHQLFWOWNM-SRVKXCTJSA-N 2 2 271.430 0.667 20 0 CCADLP C[C@H]1CSC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000862464504 645002272 /nfs/dbraw/zinc/00/22/72/645002272.db2.gz AGFMUHQLFWOWNM-SRVKXCTJSA-N 2 2 271.430 0.667 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC001019438668 650972890 /nfs/dbraw/zinc/97/28/90/650972890.db2.gz RDLCOQBSEWCYAF-STQMWFEESA-N 2 2 292.383 0.569 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]([NH2+]CCC2CC2)C1 ZINC001019566296 650988902 /nfs/dbraw/zinc/98/89/02/650988902.db2.gz ZWKCLHWHVZUNRP-LBPRGKRZSA-N 2 2 262.357 0.943 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001019653405 650996332 /nfs/dbraw/zinc/99/63/32/650996332.db2.gz IWEXVVQBYLTKMB-STQMWFEESA-N 2 2 292.383 0.190 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cn(C[C@H]2CCCO2)nn1 ZINC000865411380 645364955 /nfs/dbraw/zinc/36/49/55/645364955.db2.gz CNBQNHJTWTUMPZ-TZMCWYRMSA-N 2 2 290.371 0.832 20 0 CCADLP O=C([C@H](O)c1c[nH+]c[nH]1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000865576600 645383438 /nfs/dbraw/zinc/38/34/38/645383438.db2.gz QJIZSYCYPXMUIL-WCQYABFASA-N 2 2 278.356 0.530 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC001019867634 651011098 /nfs/dbraw/zinc/01/10/98/651011098.db2.gz BMZGYJVJSRYGDO-KBPBESRZSA-N 2 2 292.383 0.500 20 0 CCADLP O=C1CC[N@H+](C[C@H]2C[NH2+]CCO2)CCCCCCN1 ZINC000866684995 645573140 /nfs/dbraw/zinc/57/31/40/645573140.db2.gz YOXHNBPTKFFQGW-CYBMUJFWSA-N 2 2 269.389 0.357 20 0 CCADLP O=C1CC[N@@H+](C[C@H]2C[NH2+]CCO2)CCCCCCN1 ZINC000866684995 645573148 /nfs/dbraw/zinc/57/31/48/645573148.db2.gz YOXHNBPTKFFQGW-CYBMUJFWSA-N 2 2 269.389 0.357 20 0 CCADLP C[C@H](CCNC(=O)/C=C/C[NH+]1CCOCC1)[NH+](C)C ZINC000869241241 645861793 /nfs/dbraw/zinc/86/17/93/645861793.db2.gz BXOHYLGEFKBZCZ-MUBLQREKSA-N 2 2 269.389 0.331 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001020312858 651058678 /nfs/dbraw/zinc/05/86/78/651058678.db2.gz WEMRNZSDPHKCIV-RNJOBUHISA-N 2 2 292.383 0.063 20 0 CCADLP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)c1n[nH]c3c1C[NH2+]CC3)C2 ZINC000872265584 646233196 /nfs/dbraw/zinc/23/31/96/646233196.db2.gz JYWNTUMTKQIUHB-GASCZTMLSA-N 2 2 289.383 0.127 20 0 CCADLP NC(=O)[C@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)CCO1 ZINC000873204339 646354972 /nfs/dbraw/zinc/35/49/72/646354972.db2.gz BOBBPGDIDGYBPD-LLVKDONJSA-N 2 2 281.381 0.080 20 0 CCADLP NC(=O)[C@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)CCO1 ZINC000873204339 646354977 /nfs/dbraw/zinc/35/49/77/646354977.db2.gz BOBBPGDIDGYBPD-LLVKDONJSA-N 2 2 281.381 0.080 20 0 CCADLP C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873206795 646356273 /nfs/dbraw/zinc/35/62/73/646356273.db2.gz LELIVHRFCAUYLB-PWSUYJOCSA-N 2 2 282.409 0.975 20 0 CCADLP C[C@@H]1CO[C@H](CO)C[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873206795 646356276 /nfs/dbraw/zinc/35/62/76/646356276.db2.gz LELIVHRFCAUYLB-PWSUYJOCSA-N 2 2 282.409 0.975 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873262494 646367753 /nfs/dbraw/zinc/36/77/53/646367753.db2.gz ZHJRJMYDIKWFLW-QMIVOQANSA-N 3 2 267.417 0.874 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000876305165 646595334 /nfs/dbraw/zinc/59/53/34/646595334.db2.gz FIOLYCBNNPCOIR-GFCCVEGCSA-N 2 2 295.387 0.066 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000876305165 646595339 /nfs/dbraw/zinc/59/53/39/646595339.db2.gz FIOLYCBNNPCOIR-GFCCVEGCSA-N 2 2 295.387 0.066 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000876305889 646595903 /nfs/dbraw/zinc/59/59/03/646595903.db2.gz XAEOEJWHZFGNJP-LBPRGKRZSA-N 2 2 295.387 0.066 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000876305889 646595908 /nfs/dbraw/zinc/59/59/08/646595908.db2.gz XAEOEJWHZFGNJP-LBPRGKRZSA-N 2 2 295.387 0.066 20 0 CCADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@H]1CCCC[NH2+]1 ZINC000876513642 646615885 /nfs/dbraw/zinc/61/58/85/646615885.db2.gz GPZLDUKOWVCWQF-MASHWEEQSA-N 2 2 267.373 0.133 20 0 CCADLP C[C@H](NC(=O)[C@]12CCC[C@H]1[NH2+]CC2)[C@H](C)[NH+]1CCOCC1 ZINC000876756391 646658432 /nfs/dbraw/zinc/65/84/32/646658432.db2.gz TVLPNBXNHWNWIZ-AYDFFVQHSA-N 2 2 295.427 0.744 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)/C=C/C[NH+]2CCOCC2)CC[NH2+]1 ZINC000876835660 646677529 /nfs/dbraw/zinc/67/75/29/646677529.db2.gz ZHCNIPAZHFXPES-XCUNLHGCSA-N 2 2 267.373 0.132 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000876851239 646681526 /nfs/dbraw/zinc/68/15/26/646681526.db2.gz FZWJGBIOERPSHO-SECBINFHSA-N 2 2 258.272 0.257 20 0 CCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876887990 646691195 /nfs/dbraw/zinc/69/11/95/646691195.db2.gz LTXPKDZUUHRNCS-OUCADQQQSA-N 2 2 292.358 0.724 20 0 CCADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000876939810 646702104 /nfs/dbraw/zinc/70/21/04/646702104.db2.gz MCKWVKONNRDDNG-XGACYXMMSA-N 2 2 293.411 0.666 20 0 CCADLP [NH3+]CC12CCC(CC1)N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000877184973 646752251 /nfs/dbraw/zinc/75/22/51/646752251.db2.gz IOPMCUIIONTMCI-JXRVJTEKSA-N 2 2 260.341 0.996 20 0 CCADLP [NH3+]CC12CCC(CC1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000877184973 646752254 /nfs/dbraw/zinc/75/22/54/646752254.db2.gz IOPMCUIIONTMCI-JXRVJTEKSA-N 2 2 260.341 0.996 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCC2([NH3+])CCC2)c[nH+]1 ZINC000884247376 647678871 /nfs/dbraw/zinc/67/88/71/647678871.db2.gz RPEWCGQQUOMMOC-UHFFFAOYSA-N 2 2 250.346 0.924 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@H]2C[NH2+]CCO2)c[nH+]1 ZINC000884339387 647713500 /nfs/dbraw/zinc/71/35/00/647713500.db2.gz LRIXTZDLJPTHJM-LLVKDONJSA-N 2 2 266.345 0.031 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[NH2+][C@H]2C)c[nH+]1 ZINC000884445033 647740487 /nfs/dbraw/zinc/74/04/87/647740487.db2.gz CPJNCXIVJJLLGI-WDEREUQCSA-N 2 2 250.346 0.793 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c[nH+]1 ZINC000884458041 647743692 /nfs/dbraw/zinc/74/36/92/647743692.db2.gz UZQWTTNIAHXHNW-TXEJJXNPSA-N 2 2 262.357 0.889 20 0 CCADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1[C@H]1CCC(=O)NC1=O ZINC000887135238 648073668 /nfs/dbraw/zinc/07/36/68/648073668.db2.gz YXLXJQRYMXDMJY-AAEUAGOBSA-N 2 2 288.351 0.397 20 0 CCADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1[C@H]1CCC(=O)NC1=O ZINC000887135238 648073676 /nfs/dbraw/zinc/07/36/76/648073676.db2.gz YXLXJQRYMXDMJY-AAEUAGOBSA-N 2 2 288.351 0.397 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NCC[NH+]2C[C@@H](C)OC[C@H]2C)CC[N@@H+]1C ZINC000925344263 648422550 /nfs/dbraw/zinc/42/25/50/648422550.db2.gz SHRZGDLUNXMTDG-AAVRWANBSA-N 2 2 298.431 0.487 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NCC[NH+]2C[C@@H](C)OC[C@H]2C)CC[N@H+]1C ZINC000925344263 648422554 /nfs/dbraw/zinc/42/25/54/648422554.db2.gz SHRZGDLUNXMTDG-AAVRWANBSA-N 2 2 298.431 0.487 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)CC[NH+]1C ZINC000925344263 648422556 /nfs/dbraw/zinc/42/25/56/648422556.db2.gz SHRZGDLUNXMTDG-AAVRWANBSA-N 2 2 298.431 0.487 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)CC[NH+]1C ZINC000925344263 648422561 /nfs/dbraw/zinc/42/25/61/648422561.db2.gz SHRZGDLUNXMTDG-AAVRWANBSA-N 2 2 298.431 0.487 20 0 CCADLP C[C@H]1[C@@H](NC(=O)NCC[NH+](C)CCC[NH+](C)C)CC[N@@H+]1C ZINC000925344741 648423146 /nfs/dbraw/zinc/42/31/46/648423146.db2.gz VAGFJABJGHBHCW-KBPBESRZSA-N 3 2 299.463 0.262 20 0 CCADLP C[C@H]1[C@@H](NC(=O)NCC[NH+](C)CCC[NH+](C)C)CC[N@H+]1C ZINC000925344741 648423148 /nfs/dbraw/zinc/42/31/48/648423148.db2.gz VAGFJABJGHBHCW-KBPBESRZSA-N 3 2 299.463 0.262 20 0 CCADLP C[C@H]1[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)CC[NH+]1C ZINC000925344741 648423153 /nfs/dbraw/zinc/42/31/53/648423153.db2.gz VAGFJABJGHBHCW-KBPBESRZSA-N 3 2 299.463 0.262 20 0 CCADLP C[C@H]1[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC[NH+]1C ZINC000925344741 648423158 /nfs/dbraw/zinc/42/31/58/648423158.db2.gz VAGFJABJGHBHCW-KBPBESRZSA-N 3 2 299.463 0.262 20 0 CCADLP C[C@H](C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)CN1CC[NH+](C)CC1 ZINC000925490548 648439049 /nfs/dbraw/zinc/43/90/49/648439049.db2.gz OFWIVCRIGXCAAT-ILXRZTDVSA-N 3 2 280.460 0.729 20 0 CCADLP C[C@@H](CCS(C)(=O)=O)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925562126 648443538 /nfs/dbraw/zinc/44/35/38/648443538.db2.gz VBMAWNRYJWPUMP-WDEREUQCSA-N 2 2 260.403 0.684 20 0 CCADLP O=C(NCC[NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccn[nH]1 ZINC000925633421 648449541 /nfs/dbraw/zinc/44/95/41/648449541.db2.gz WDKRGBHDCULVFA-LLVKDONJSA-N 2 2 263.345 0.014 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000925831631 648465076 /nfs/dbraw/zinc/46/50/76/648465076.db2.gz KTZCVSWGTOURJW-GHMZBOCLSA-N 2 2 262.419 0.645 20 0 CCADLP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@H]1CCCC[NH2+]1 ZINC000925849856 648466463 /nfs/dbraw/zinc/46/64/63/648466463.db2.gz QXVCWQGYUUITMS-MGPQQGTHSA-N 3 2 295.427 0.792 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000925856875 648467164 /nfs/dbraw/zinc/46/71/64/648467164.db2.gz GMPADELEPSPJQS-ZZIFITQXSA-N 2 2 272.414 0.682 20 0 CCADLP NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000926756655 648524182 /nfs/dbraw/zinc/52/41/82/648524182.db2.gz ZAHGPEDYCJFBCE-FDYHWXHSSA-N 2 2 251.374 0.857 20 0 CCADLP NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000926756655 648524183 /nfs/dbraw/zinc/52/41/83/648524183.db2.gz ZAHGPEDYCJFBCE-FDYHWXHSSA-N 2 2 251.374 0.857 20 0 CCADLP O=C1NCCN1CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926872681 648532487 /nfs/dbraw/zinc/53/24/87/648532487.db2.gz JBBKMEWBHOVTQP-QWHCGFSZSA-N 2 2 266.389 0.618 20 0 CCADLP O=C1NCCN1CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926872681 648532489 /nfs/dbraw/zinc/53/24/89/648532489.db2.gz JBBKMEWBHOVTQP-QWHCGFSZSA-N 2 2 266.389 0.618 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928072296 648612329 /nfs/dbraw/zinc/61/23/29/648612329.db2.gz FYYVCHVBKQTNTQ-OLZOCXBDSA-N 2 2 294.424 0.888 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928072296 648612332 /nfs/dbraw/zinc/61/23/32/648612332.db2.gz FYYVCHVBKQTNTQ-OLZOCXBDSA-N 2 2 294.424 0.888 20 0 CCADLP C[C@@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+]1CCSCC1 ZINC000928440608 648634264 /nfs/dbraw/zinc/63/42/64/648634264.db2.gz LYNYGSMVZJRAFU-GRYCIOLGSA-N 2 2 271.430 0.633 20 0 CCADLP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+]1CCSCC1 ZINC000928440608 648634267 /nfs/dbraw/zinc/63/42/67/648634267.db2.gz LYNYGSMVZJRAFU-GRYCIOLGSA-N 2 2 271.430 0.633 20 0 CCADLP O[C@@H](C[NH+]1CCC(n2cc[nH+]c2)CC1)C1(O)CCC1 ZINC000929803180 648793493 /nfs/dbraw/zinc/79/34/93/648793493.db2.gz CUXLWEYGMYYAGI-ZDUSSCGKSA-N 2 2 265.357 0.796 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000930623353 648882405 /nfs/dbraw/zinc/88/24/05/648882405.db2.gz QJYJGUKEHUCALY-ZYHUDNBSSA-N 2 2 264.316 0.145 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000930623353 648882409 /nfs/dbraw/zinc/88/24/09/648882409.db2.gz QJYJGUKEHUCALY-ZYHUDNBSSA-N 2 2 264.316 0.145 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CCF ZINC000947928507 649355935 /nfs/dbraw/zinc/35/59/35/649355935.db2.gz BNGUEABWVBAWBV-NEPJUHHUSA-N 2 2 282.363 0.901 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1CCF ZINC000947928507 649355938 /nfs/dbraw/zinc/35/59/38/649355938.db2.gz BNGUEABWVBAWBV-NEPJUHHUSA-N 2 2 282.363 0.901 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000246481990 649677040 /nfs/dbraw/zinc/67/70/40/649677040.db2.gz OPMPDXPNABBXHZ-TUAOUCFPSA-N 2 2 262.357 0.989 20 0 CCADLP C[C@H](F)CC[NH+]1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000957899985 649768919 /nfs/dbraw/zinc/76/89/19/649768919.db2.gz NDGKMRMAENLBKX-LBPRGKRZSA-N 2 2 268.336 0.775 20 0 CCADLP CCN(CC)c1cc(N2CCN3CC[NH2+]C[C@@H]3C2)nc[nH+]1 ZINC001164404876 718836943 /nfs/dbraw/zinc/83/69/43/718836943.db2.gz NMCRAVONKAYLNC-CYBMUJFWSA-N 2 2 290.415 0.417 20 0 CCADLP CCOCC[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001230438228 805601052 /nfs/dbraw/zinc/60/10/52/805601052.db2.gz BOBVGZVCVOTTIW-UHFFFAOYSA-N 2 2 280.372 0.500 20 0 CCADLP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CCF)C1)[NH+](C)C ZINC001266325772 790510182 /nfs/dbraw/zinc/51/01/82/790510182.db2.gz RPLNBJMGSMYCCZ-RYUDHWBXSA-N 2 2 259.369 0.733 20 0 CCADLP CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CCF)C1)[NH+](C)C ZINC001266325772 790510190 /nfs/dbraw/zinc/51/01/90/790510190.db2.gz RPLNBJMGSMYCCZ-RYUDHWBXSA-N 2 2 259.369 0.733 20 0 CCADLP C[C@@H](CC[NH+](C)C)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000693014249 790638455 /nfs/dbraw/zinc/63/84/55/790638455.db2.gz YHSIQFKGWCOOHS-NSHDSACASA-N 2 2 262.419 0.741 20 0 CCADLP CC(C)OCC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209835682 790694034 /nfs/dbraw/zinc/69/40/34/790694034.db2.gz CUIQCPUUCBUSFS-CYBMUJFWSA-N 2 2 294.399 0.958 20 0 CCADLP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001114956922 790861557 /nfs/dbraw/zinc/86/15/57/790861557.db2.gz OSJZEPGTUTYVCG-FTYKPCCVSA-N 2 2 262.357 0.655 20 0 CCADLP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001114956922 790861570 /nfs/dbraw/zinc/86/15/70/790861570.db2.gz OSJZEPGTUTYVCG-FTYKPCCVSA-N 2 2 262.357 0.655 20 0 CCADLP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001114956922 790861582 /nfs/dbraw/zinc/86/15/82/790861582.db2.gz OSJZEPGTUTYVCG-FTYKPCCVSA-N 2 2 262.357 0.655 20 0 CCADLP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001114956922 790861595 /nfs/dbraw/zinc/86/15/95/790861595.db2.gz OSJZEPGTUTYVCG-FTYKPCCVSA-N 2 2 262.357 0.655 20 0 CCADLP COCC[N@@H+]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001266539413 790901658 /nfs/dbraw/zinc/90/16/58/790901658.db2.gz AXNOECDHWMBDDD-LLVKDONJSA-N 2 2 266.345 0.037 20 0 CCADLP COCC[N@H+]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001266539413 790901662 /nfs/dbraw/zinc/90/16/62/790901662.db2.gz AXNOECDHWMBDDD-LLVKDONJSA-N 2 2 266.345 0.037 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]CCOCC(F)F ZINC001167345849 790931803 /nfs/dbraw/zinc/93/18/03/790931803.db2.gz AUVVBGLNSQAVLE-UHFFFAOYSA-N 2 2 290.314 0.330 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]CCC1CC1 ZINC001167346084 790935101 /nfs/dbraw/zinc/93/51/01/790935101.db2.gz GZVGWHXXHYPLQY-UHFFFAOYSA-N 2 2 250.346 0.848 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]CC[C@H]1CCOC1 ZINC001167347068 790937114 /nfs/dbraw/zinc/93/71/14/790937114.db2.gz XYBTYXJPBQGVAO-LBPRGKRZSA-N 2 2 280.372 0.475 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001266628054 791053973 /nfs/dbraw/zinc/05/39/73/791053973.db2.gz ADHXVRWYGFSDNK-DCAQKATOSA-N 2 2 266.345 0.224 20 0 CCADLP CC[NH2+][C@@H](CNC(=O)CCn1cc[nH+]c1)C1CC1 ZINC000721715368 805862130 /nfs/dbraw/zinc/86/21/30/805862130.db2.gz JSDCNHFMPAHBLS-LBPRGKRZSA-N 2 2 250.346 0.778 20 0 CCADLP Cc1noc(C[N@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)n1 ZINC001277594660 805878982 /nfs/dbraw/zinc/87/89/82/805878982.db2.gz LOLAPKQXINPKSO-UHFFFAOYSA-N 2 2 293.415 0.837 20 0 CCADLP Cc1noc(C[N@@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)n1 ZINC001277594660 805878993 /nfs/dbraw/zinc/87/89/93/805878993.db2.gz LOLAPKQXINPKSO-UHFFFAOYSA-N 2 2 293.415 0.837 20 0 CCADLP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](C3CC[NH+](C)CC3)C[C@H]21 ZINC001277627590 805906899 /nfs/dbraw/zinc/90/68/99/805906899.db2.gz WWOWKVODNNYXQI-CVEARBPZSA-N 3 2 296.459 0.027 20 0 CCADLP C[NH+](C)CCN1CCO[C@H]2C[N@H+](C3CC[NH+](C)CC3)C[C@H]21 ZINC001277627590 805906911 /nfs/dbraw/zinc/90/69/11/805906911.db2.gz WWOWKVODNNYXQI-CVEARBPZSA-N 3 2 296.459 0.027 20 0 CCADLP C[C@H]1[NH2+]CCC[C@H]1C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001245985044 807107072 /nfs/dbraw/zinc/10/70/72/807107072.db2.gz SFMDBKAZPCROLY-AGIUHOORSA-N 3 2 257.422 0.713 20 0 CCADLP Cc1c[nH]c(=O)c(C[NH+]2CC(N3CC[NH+](C)CC3)C2)c1 ZINC001233197413 806031361 /nfs/dbraw/zinc/03/13/61/806031361.db2.gz FMFLBTLOQSYXRI-UHFFFAOYSA-N 2 2 276.384 0.527 20 0 CCADLP c1cn2c(cccc2C[N@H+]2CCc3nncn3CC2)[nH+]1 ZINC001233361354 806044640 /nfs/dbraw/zinc/04/46/40/806044640.db2.gz LHKUTZHHEDAYMG-UHFFFAOYSA-N 2 2 268.324 0.984 20 0 CCADLP c1cn2c(cccc2C[N@@H+]2CCc3nncn3CC2)[nH+]1 ZINC001233361354 806044649 /nfs/dbraw/zinc/04/46/49/806044649.db2.gz LHKUTZHHEDAYMG-UHFFFAOYSA-N 2 2 268.324 0.984 20 0 CCADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891819691 791333487 /nfs/dbraw/zinc/33/34/87/791333487.db2.gz REBCHUYBJVVQCH-JHJVBQTASA-N 2 2 289.383 0.734 20 0 CCADLP COC[C@H](C)[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001266994987 791427886 /nfs/dbraw/zinc/42/78/86/791427886.db2.gz DUALOSJHEMWSQC-MNOVXSKESA-N 2 2 254.334 0.012 20 0 CCADLP Cc1nnc(C[NH2+]CCN(C)C(=O)C[N@@H+](C)C(C)C)[nH]1 ZINC001267116451 791557239 /nfs/dbraw/zinc/55/72/39/791557239.db2.gz BDWFINWZSRJVAO-UHFFFAOYSA-N 2 2 282.392 0.001 20 0 CCADLP Cc1nnc(C[NH2+]CCN(C)C(=O)C[N@H+](C)C(C)C)[nH]1 ZINC001267116451 791557248 /nfs/dbraw/zinc/55/72/48/791557248.db2.gz BDWFINWZSRJVAO-UHFFFAOYSA-N 2 2 282.392 0.001 20 0 CCADLP COCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001267134103 791580350 /nfs/dbraw/zinc/58/03/50/791580350.db2.gz PNMXGZOERSSVMT-STQMWFEESA-N 2 2 294.399 0.576 20 0 CCADLP CC(C)[N@@H+]1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001277799486 806105892 /nfs/dbraw/zinc/10/58/92/806105892.db2.gz UQGOGIWQIAGCCB-OKILXGFUSA-N 2 2 264.373 0.677 20 0 CCADLP CC(C)[N@H+]1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001277799486 806105898 /nfs/dbraw/zinc/10/58/98/806105898.db2.gz UQGOGIWQIAGCCB-OKILXGFUSA-N 2 2 264.373 0.677 20 0 CCADLP Cc1cc(N2CCOCC2)[nH+]cc1-n1cc(C[NH3+])cn1 ZINC001168261755 814928935 /nfs/dbraw/zinc/92/89/35/814928935.db2.gz IQXKOIXVJRKPGV-UHFFFAOYSA-N 2 2 273.340 0.871 20 0 CCADLP COCC[N@@H+]1CC[C@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001233977798 806161698 /nfs/dbraw/zinc/16/16/98/806161698.db2.gz PDRPMWZHCZILOJ-LBPRGKRZSA-N 2 2 280.372 0.521 20 0 CCADLP COCC[N@H+]1CC[C@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001233977798 806161701 /nfs/dbraw/zinc/16/17/01/806161701.db2.gz PDRPMWZHCZILOJ-LBPRGKRZSA-N 2 2 280.372 0.521 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001246022447 807122495 /nfs/dbraw/zinc/12/24/95/807122495.db2.gz JWQWVEYJPBNFDN-GFCCVEGCSA-N 3 2 261.385 0.452 20 0 CCADLP c1cn(CC[N@@H+]2C[C@@H]3COC[C@H](C2)N3C2CC2)c[nH+]1 ZINC001277924011 806374203 /nfs/dbraw/zinc/37/42/03/806374203.db2.gz VRFMMIUMAXUQJQ-OKILXGFUSA-N 2 2 262.357 0.431 20 0 CCADLP c1cn(CC[N@H+]2C[C@@H]3COC[C@H](C2)N3C2CC2)c[nH+]1 ZINC001277924011 806374213 /nfs/dbraw/zinc/37/42/13/806374213.db2.gz VRFMMIUMAXUQJQ-OKILXGFUSA-N 2 2 262.357 0.431 20 0 CCADLP CC(=O)N1CCO[C@@H]2CC[N@@H+](C[C@@H](C)[NH3+])CC[C@@H]21 ZINC001235485593 806429989 /nfs/dbraw/zinc/42/99/89/806429989.db2.gz KDSXNSLOUUAJBY-KGYLQXTDSA-N 2 2 255.362 0.045 20 0 CCADLP CC(=O)N1CCO[C@@H]2CC[N@H+](C[C@@H](C)[NH3+])CC[C@@H]21 ZINC001235485593 806429995 /nfs/dbraw/zinc/42/99/95/806429995.db2.gz KDSXNSLOUUAJBY-KGYLQXTDSA-N 2 2 255.362 0.045 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC1 ZINC001235526817 806444643 /nfs/dbraw/zinc/44/46/43/806444643.db2.gz UBZKZAPNIFGYOC-DRZSPHRISA-N 2 2 251.374 0.809 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC1 ZINC001235526817 806444647 /nfs/dbraw/zinc/44/46/47/806444647.db2.gz UBZKZAPNIFGYOC-DRZSPHRISA-N 2 2 251.374 0.809 20 0 CCADLP [NH3+]CCN1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC001235522116 806445483 /nfs/dbraw/zinc/44/54/83/806445483.db2.gz RKQHTQJSZIPELC-ZDUSSCGKSA-N 2 2 264.373 0.700 20 0 CCADLP CN(C)C(=O)NC[C@H]1CCC[C@]2(CC[N@H+](CC[NH3+])C2)O1 ZINC001235547395 806454036 /nfs/dbraw/zinc/45/40/36/806454036.db2.gz OGGRIIRAOIMCGW-TZMCWYRMSA-N 2 2 284.404 0.230 20 0 CCADLP CN(C)C(=O)NC[C@H]1CCC[C@]2(CC[N@@H+](CC[NH3+])C2)O1 ZINC001235547395 806454043 /nfs/dbraw/zinc/45/40/43/806454043.db2.gz OGGRIIRAOIMCGW-TZMCWYRMSA-N 2 2 284.404 0.230 20 0 CCADLP C[C@@H]([NH3+])C[NH+]1CCC2(CCOC[C@H]2NC(=O)N(C)C)CC1 ZINC001235554187 806455706 /nfs/dbraw/zinc/45/57/06/806455706.db2.gz GBBDWCNTHYFGDR-CHWSQXEVSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1CC[C@]2(C1)c1ccccc1N(C)C2=O ZINC001235633746 806477303 /nfs/dbraw/zinc/47/73/03/806477303.db2.gz YFCGNTIIWGIRJI-NHYWBVRUSA-N 2 2 259.353 0.954 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1CC[C@]2(C1)c1ccccc1N(C)C2=O ZINC001235633746 806477306 /nfs/dbraw/zinc/47/73/06/806477306.db2.gz YFCGNTIIWGIRJI-NHYWBVRUSA-N 2 2 259.353 0.954 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2CCn1cc[nH+]c1 ZINC001277961027 806489044 /nfs/dbraw/zinc/48/90/44/806489044.db2.gz PXWXINVOYNBGGF-MCIONIFRSA-N 2 2 264.373 0.413 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2CCn1cc[nH+]c1 ZINC001277961027 806489045 /nfs/dbraw/zinc/48/90/45/806489045.db2.gz PXWXINVOYNBGGF-MCIONIFRSA-N 2 2 264.373 0.413 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC3(CCC(=O)O3)CC2)O1 ZINC001235819450 806505079 /nfs/dbraw/zinc/50/50/79/806505079.db2.gz FHYDBFCWJTYRPN-NSHDSACASA-N 2 2 268.357 0.883 20 0 CCADLP [NH3+][C@H](Cc1ccccc1)C[N@@H+]1CC[C@H]2CNC(=O)[C@H]2C1 ZINC001235928483 806518996 /nfs/dbraw/zinc/51/89/96/806518996.db2.gz WDXSTBPSMOCYFN-ZNMIVQPWSA-N 2 2 273.380 0.624 20 0 CCADLP [NH3+][C@H](Cc1ccccc1)C[N@H+]1CC[C@H]2CNC(=O)[C@H]2C1 ZINC001235928483 806519001 /nfs/dbraw/zinc/51/90/01/806519001.db2.gz WDXSTBPSMOCYFN-ZNMIVQPWSA-N 2 2 273.380 0.624 20 0 CCADLP COc1cc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])ccn1 ZINC001235991147 806521922 /nfs/dbraw/zinc/52/19/22/806521922.db2.gz CFUFETXRGYBLSI-ONXXMXGDSA-N 2 2 263.341 0.496 20 0 CCADLP COc1cc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])ccn1 ZINC001235991147 806521930 /nfs/dbraw/zinc/52/19/30/806521930.db2.gz CFUFETXRGYBLSI-ONXXMXGDSA-N 2 2 263.341 0.496 20 0 CCADLP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001235993076 806524006 /nfs/dbraw/zinc/52/40/06/806524006.db2.gz OFSPPCSEUUNWPU-GXTWGEPZSA-N 2 2 270.340 0.790 20 0 CCADLP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001235993076 806524012 /nfs/dbraw/zinc/52/40/12/806524012.db2.gz OFSPPCSEUUNWPU-GXTWGEPZSA-N 2 2 270.340 0.790 20 0 CCADLP CCOC(=O)[C@]12C[N@H+](C[C@H]3CCC[NH2+]C3)C[C@H]1C[NH2+]CC2 ZINC001236037450 806531636 /nfs/dbraw/zinc/53/16/36/806531636.db2.gz IHWHKMPGRBOUJD-SQWLQELKSA-N 3 2 295.427 0.461 20 0 CCADLP CCOC(=O)[C@]12C[N@@H+](C[C@H]3CCC[NH2+]C3)C[C@H]1C[NH2+]CC2 ZINC001236037450 806531640 /nfs/dbraw/zinc/53/16/40/806531640.db2.gz IHWHKMPGRBOUJD-SQWLQELKSA-N 3 2 295.427 0.461 20 0 CCADLP COC(=O)[C@@H]1C[NH2+]CCN1Cc1c[nH+]c2ccc(C)cn12 ZINC001236055745 806539188 /nfs/dbraw/zinc/53/91/88/806539188.db2.gz URNYTRUARGVRCB-ZDUSSCGKSA-N 2 2 288.351 0.590 20 0 CCADLP C[C@H](CO)C[NH+]1CC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001277998603 806604091 /nfs/dbraw/zinc/60/40/91/806604091.db2.gz NGOQGKSLNWXYGU-ZDUSSCGKSA-N 2 2 264.373 0.129 20 0 CCADLP C[NH+](C)C1CCN(C(=O)c2[nH]nc3c2C[N@H+](C)CC3)CC1 ZINC001278096611 806662729 /nfs/dbraw/zinc/66/27/29/806662729.db2.gz OFHVYRRIXJJBII-UHFFFAOYSA-N 2 2 291.399 0.564 20 0 CCADLP C[NH+](C)C1CCN(C(=O)c2[nH]nc3c2C[N@@H+](C)CC3)CC1 ZINC001278096611 806662735 /nfs/dbraw/zinc/66/27/35/806662735.db2.gz OFHVYRRIXJJBII-UHFFFAOYSA-N 2 2 291.399 0.564 20 0 CCADLP C[C@@H]1CN(c2cc(N)[nH+]cn2)CC[N@@H+]1CC(C)(C)O ZINC001120839044 798947286 /nfs/dbraw/zinc/94/72/86/798947286.db2.gz OSZNCSUSABNUEN-SNVBAGLBSA-N 2 2 265.361 0.340 20 0 CCADLP C[C@@H]1CN(c2cc(N)[nH+]cn2)CC[N@H+]1CC(C)(C)O ZINC001120839044 798947288 /nfs/dbraw/zinc/94/72/88/798947288.db2.gz OSZNCSUSABNUEN-SNVBAGLBSA-N 2 2 265.361 0.340 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)C2([NH2+]C)CCC2)CC1 ZINC001121905158 799089191 /nfs/dbraw/zinc/08/91/91/799089191.db2.gz MTHMXTMEUBQERY-UHFFFAOYSA-N 2 2 269.389 0.309 20 0 CCADLP C[NH2+]C[C@H](O)[C@H](C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC001121995888 799117081 /nfs/dbraw/zinc/11/70/81/799117081.db2.gz YNAPDQFNKOZOKD-AAEUAGOBSA-N 2 2 265.357 0.531 20 0 CCADLP CC[C@H](C(=O)NCC1C[NH2+]C1)[N@@H+]1CCO[C@H](CC)C1 ZINC001122010654 799121126 /nfs/dbraw/zinc/12/11/26/799121126.db2.gz VKUWNVBPSUCTOX-CHWSQXEVSA-N 2 2 269.389 0.211 20 0 CCADLP CC[C@H](C(=O)NCC1C[NH2+]C1)[N@H+]1CCO[C@H](CC)C1 ZINC001122010654 799121132 /nfs/dbraw/zinc/12/11/32/799121132.db2.gz VKUWNVBPSUCTOX-CHWSQXEVSA-N 2 2 269.389 0.211 20 0 CCADLP c1[nH+]cn2c1cccc2C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC001238107684 806750626 /nfs/dbraw/zinc/75/06/26/806750626.db2.gz QBPFTIAAFRVSPA-HNNXBMFYSA-N 2 2 272.352 0.851 20 0 CCADLP c1[nH+]cn2c1cccc2C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC001238107684 806750630 /nfs/dbraw/zinc/75/06/30/806750630.db2.gz QBPFTIAAFRVSPA-HNNXBMFYSA-N 2 2 272.352 0.851 20 0 CCADLP OC[C@H]1C[N@H+](Cc2c[nH]c3cc[nH+]cc23)CC[C@H]1O ZINC001140801806 799942243 /nfs/dbraw/zinc/94/22/43/799942243.db2.gz GITDQRBUQLRRLC-BXUZGUMPSA-N 2 2 261.325 0.738 20 0 CCADLP OC[C@H]1C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CC[C@H]1O ZINC001140801806 799942246 /nfs/dbraw/zinc/94/22/46/799942246.db2.gz GITDQRBUQLRRLC-BXUZGUMPSA-N 2 2 261.325 0.738 20 0 CCADLP O=C(CC[NH+]1CCCCC1)NCCn1cc[nH+]c1 ZINC001142916748 800172817 /nfs/dbraw/zinc/17/28/17/800172817.db2.gz VVGFRQJURHCUNR-UHFFFAOYSA-N 2 2 250.346 0.875 20 0 CCADLP Cc1cc(C)c(S(=O)(=O)NCC[NH2+]CC[NH3+])c(C)c1 ZINC001238839341 806812006 /nfs/dbraw/zinc/81/20/06/806812006.db2.gz PSSJIUSGCXCZOI-UHFFFAOYSA-N 2 2 285.413 0.438 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001150702656 800360772 /nfs/dbraw/zinc/36/07/72/800360772.db2.gz WDLIUBAIDDIWGA-LBPRGKRZSA-N 2 2 260.341 0.643 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001150702656 800360778 /nfs/dbraw/zinc/36/07/78/800360778.db2.gz WDLIUBAIDDIWGA-LBPRGKRZSA-N 2 2 260.341 0.643 20 0 CCADLP CC(C)CC[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001151814263 800461117 /nfs/dbraw/zinc/46/11/17/800461117.db2.gz GOAAQEHDWCRMRX-HNNXBMFYSA-N 2 2 297.443 0.849 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NCC[NH2+]C[C@H]1CCCCO1 ZINC001153351524 800624825 /nfs/dbraw/zinc/62/48/25/800624825.db2.gz VYNDRQOSAQREFO-CQSZACIVSA-N 2 2 294.399 0.938 20 0 CCADLP COCCOCC[NH2+]CCNC(=O)CCCn1cc[nH+]c1 ZINC001153344708 800624897 /nfs/dbraw/zinc/62/48/97/800624897.db2.gz HVMNRRFDRPEAKH-UHFFFAOYSA-N 2 2 298.387 0.032 20 0 CCADLP COC[C@@H](C)[NH2+]CCNC(=O)CCCn1cc[nH+]c1 ZINC001153351698 800624912 /nfs/dbraw/zinc/62/49/12/800624912.db2.gz YYEUBOYWCUDODZ-GFCCVEGCSA-N 2 2 268.361 0.404 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NCc1c[nH+]c2n1CCC2 ZINC001154937238 800874302 /nfs/dbraw/zinc/87/43/02/800874302.db2.gz JQYOKGQOQKGROP-UHFFFAOYSA-N 2 2 250.346 0.786 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NCc1c[nH+]c2n1CCC2 ZINC001154937238 800874308 /nfs/dbraw/zinc/87/43/08/800874308.db2.gz JQYOKGQOQKGROP-UHFFFAOYSA-N 2 2 250.346 0.786 20 0 CCADLP C[NH+]1CCN(c2cccc(NC3(C(N)=O)CC3)[nH+]2)CC1 ZINC001155089455 800908288 /nfs/dbraw/zinc/90/82/88/800908288.db2.gz FWOLKRMCHHJPGX-UHFFFAOYSA-N 2 2 275.356 0.263 20 0 CCADLP Cc1cc[nH+]c(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)c1C(N)=O ZINC001155617870 801021772 /nfs/dbraw/zinc/02/17/72/801021772.db2.gz BBIUVGHADPCLCT-XHDPSFHLSA-N 2 2 290.367 0.812 20 0 CCADLP CC[N@H+](CCO)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001155751325 801048185 /nfs/dbraw/zinc/04/81/85/801048185.db2.gz NUGFYPNTSMVYGP-VXGBXAGGSA-N 2 2 282.388 0.407 20 0 CCADLP CC[N@@H+](CCO)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001155751325 801048190 /nfs/dbraw/zinc/04/81/90/801048190.db2.gz NUGFYPNTSMVYGP-VXGBXAGGSA-N 2 2 282.388 0.407 20 0 CCADLP CC[N@H+](CCO)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001155751325 801048193 /nfs/dbraw/zinc/04/81/93/801048193.db2.gz NUGFYPNTSMVYGP-VXGBXAGGSA-N 2 2 282.388 0.407 20 0 CCADLP CC[N@@H+](CCO)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001155751325 801048198 /nfs/dbraw/zinc/04/81/98/801048198.db2.gz NUGFYPNTSMVYGP-VXGBXAGGSA-N 2 2 282.388 0.407 20 0 CCADLP CC[N@H+](CCOC)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156011627 801093132 /nfs/dbraw/zinc/09/31/32/801093132.db2.gz OPXMIEMJRWELRU-LLVKDONJSA-N 2 2 268.361 0.425 20 0 CCADLP CC[N@@H+](CCOC)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156011627 801093137 /nfs/dbraw/zinc/09/31/37/801093137.db2.gz OPXMIEMJRWELRU-LLVKDONJSA-N 2 2 268.361 0.425 20 0 CCADLP CC[N@H+](C[C@@H](C)O)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001156617585 801197591 /nfs/dbraw/zinc/19/75/91/801197591.db2.gz QETFDQXHGRYOAW-GHMZBOCLSA-N 2 2 282.388 0.468 20 0 CCADLP CC[N@@H+](C[C@@H](C)O)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001156617585 801197597 /nfs/dbraw/zinc/19/75/97/801197597.db2.gz QETFDQXHGRYOAW-GHMZBOCLSA-N 2 2 282.388 0.468 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCCC[NH2+]Cc1cnns1 ZINC001157264504 801334761 /nfs/dbraw/zinc/33/47/61/801334761.db2.gz HMMNHNOOSSEPNP-UHFFFAOYSA-N 2 2 294.384 0.490 20 0 CCADLP Cc1nc(C[NH2+]CCCNC(=O)CCc2[nH]cc[nH+]2)co1 ZINC001157264474 801334886 /nfs/dbraw/zinc/33/48/86/801334886.db2.gz GHZWPIGFXKTVFF-UHFFFAOYSA-N 2 2 291.355 0.935 20 0 CCADLP CC[N@H+](C[C@H](C)OC)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157294362 801346357 /nfs/dbraw/zinc/34/63/57/801346357.db2.gz XQYKKQIEOHZBDM-OLZOCXBDSA-N 2 2 282.388 0.745 20 0 CCADLP CC[N@@H+](C[C@H](C)OC)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157294362 801346364 /nfs/dbraw/zinc/34/63/64/801346364.db2.gz XQYKKQIEOHZBDM-OLZOCXBDSA-N 2 2 282.388 0.745 20 0 CCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC(=O)[C@H]2CCCC[C@H]21 ZINC001157567425 801422103 /nfs/dbraw/zinc/42/21/03/801422103.db2.gz LVPBWSPQUQTGRC-QSLWVIQJSA-N 2 2 291.395 0.297 20 0 CCADLP C[C@@H]1CCN(C(=O)C2([NH3+])CC[NH2+]CC2)CCC1(F)F ZINC001157849301 801500757 /nfs/dbraw/zinc/50/07/57/801500757.db2.gz SYODISLVSBBPCR-SNVBAGLBSA-N 2 2 275.343 0.961 20 0 CCADLP C[C@@]1(F)CCCCN(C(=O)C2([NH3+])CC[NH2+]CC2)C1 ZINC001157915747 801520890 /nfs/dbraw/zinc/52/08/90/801520890.db2.gz VOQLYKAWFVADIM-GFCCVEGCSA-N 2 2 257.353 0.808 20 0 CCADLP C[C@]1(F)CCN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)C[C@H]1F ZINC001157922796 801523204 /nfs/dbraw/zinc/52/32/04/801523204.db2.gz YMZYQMBCBXEALV-FOGDFJRCSA-N 2 2 272.299 0.578 20 0 CCADLP C[C@@]1(F)CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C[C@@H]1F ZINC001157923969 801524484 /nfs/dbraw/zinc/52/44/84/801524484.db2.gz GZOGEKPFGZETCX-QTCIEIIFSA-N 2 2 273.327 0.507 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@@](F)(CO)CC1 ZINC001157935068 801531950 /nfs/dbraw/zinc/53/19/50/801531950.db2.gz QYBNPYUASJNCHZ-JSGCOSHPSA-N 2 2 298.362 0.003 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@](F)(CO)CC1 ZINC001157935067 801532125 /nfs/dbraw/zinc/53/21/25/801532125.db2.gz QYBNPYUASJNCHZ-GXTWGEPZSA-N 2 2 298.362 0.003 20 0 CCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@]1(C)CC(C)(C)C[NH2+]1 ZINC001158000169 801550569 /nfs/dbraw/zinc/55/05/69/801550569.db2.gz WKGHOEDGEDYIPS-IAQYHMDHSA-N 2 2 297.399 0.128 20 0 CCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C[C@@H]([NH3+])CC(C)C ZINC001158000183 801552461 /nfs/dbraw/zinc/55/24/61/801552461.db2.gz WNSMECWPGSYBJW-NWDGAFQWSA-N 2 2 285.388 0.113 20 0 CCADLP Cc1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1NC1CC1 ZINC001158203001 801591276 /nfs/dbraw/zinc/59/12/76/801591276.db2.gz CPDLCFCNBLEHEE-SNVBAGLBSA-N 2 2 288.355 0.407 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncnc2ccsc21 ZINC001158203941 801592960 /nfs/dbraw/zinc/59/29/60/801592960.db2.gz TXMMHOWNGPSSNU-MRVPVSSYSA-N 2 2 275.337 0.739 20 0 CCADLP Nc1nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ccc1Cl ZINC001158208955 801595868 /nfs/dbraw/zinc/59/58/68/801595868.db2.gz ASWIUVNHPMVUHC-SSDOTTSWSA-N 2 2 267.720 0.365 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Nc2cc(N)c(C)c[nH+]2)C[NH2+]1 ZINC001158256201 801606353 /nfs/dbraw/zinc/60/63/53/801606353.db2.gz ITXPIBUQIBQXGP-SCZZXKLOSA-N 2 2 250.302 0.288 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Nc2cc(C[NH+](C)C)ccn2)C[NH2+]1 ZINC001158257205 801607287 /nfs/dbraw/zinc/60/72/87/801607287.db2.gz ZRNAWRXHJXIUSB-NEPJUHHUSA-N 2 2 278.356 0.459 20 0 CCADLP COc1cncc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158259950 801608113 /nfs/dbraw/zinc/60/81/13/801608113.db2.gz XSLZQWGYZQSIRV-LLVKDONJSA-N 2 2 277.372 0.487 20 0 CCADLP COc1cncc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158259950 801608117 /nfs/dbraw/zinc/60/81/17/801608117.db2.gz XSLZQWGYZQSIRV-LLVKDONJSA-N 2 2 277.372 0.487 20 0 CCADLP CN(CCC(=O)c1ccccc1)C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001160589760 801977003 /nfs/dbraw/zinc/97/70/03/801977003.db2.gz FYLMAIQCFMCKKH-LBPRGKRZSA-N 2 2 263.341 0.394 20 0 CCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)Nc1cc(N)c(C)c[nH+]1 ZINC001160695927 802004751 /nfs/dbraw/zinc/00/47/51/802004751.db2.gz JADKKWRMGOGDNK-LBPRGKRZSA-N 2 2 289.339 0.902 20 0 CCADLP CN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)[C@@H](C1CCC1)C(F)(F)F ZINC001160773764 802018672 /nfs/dbraw/zinc/01/86/72/802018672.db2.gz KWRVXYMSBXFXGS-UTLUCORTSA-N 2 2 279.306 0.865 20 0 CCADLP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC001160849041 802031662 /nfs/dbraw/zinc/03/16/62/802031662.db2.gz MVTUZFUHVKQNGT-TWMKSMIVSA-N 2 2 297.402 0.893 20 0 CCADLP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC001160849041 802031670 /nfs/dbraw/zinc/03/16/70/802031670.db2.gz MVTUZFUHVKQNGT-TWMKSMIVSA-N 2 2 297.402 0.893 20 0 CCADLP CC[C@H](C(=O)NCCC[NH2+][C@@H](C)c1noc(C)n1)[NH+](C)C ZINC001160883606 802042204 /nfs/dbraw/zinc/04/22/04/802042204.db2.gz PJZNHIZJSMJTBQ-CMPLNLGQSA-N 2 2 297.403 0.875 20 0 CCADLP COC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001160909598 802046449 /nfs/dbraw/zinc/04/64/49/802046449.db2.gz ZXTSLRRTOSJKSY-UJCCBTOESA-N 2 2 279.384 0.105 20 0 CCADLP C[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)CC2)CC1 ZINC001160993478 802057536 /nfs/dbraw/zinc/05/75/36/802057536.db2.gz TVBSGGMLJQBLRA-OLZOCXBDSA-N 3 2 280.416 0.010 20 0 CCADLP CCN(C(=O)[C@H]1CCCN([C@H]2CC[NH2+]C2)C1)C1C[NH+](C)C1 ZINC001161138061 802099232 /nfs/dbraw/zinc/09/92/32/802099232.db2.gz MFCYQSBETJSZFF-KBPBESRZSA-N 2 2 294.443 0.223 20 0 CCADLP CCN(C(=O)[C@@H]([NH3+])C1CCC(O)CC1)C1C[NH+](C)C1 ZINC001161138051 802099631 /nfs/dbraw/zinc/09/96/31/802099631.db2.gz LZYUJVYVBOZZJD-GDKBPFBDSA-N 2 2 269.389 0.027 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)NCCc1cn(C)c[nH+]1 ZINC001161166522 802103789 /nfs/dbraw/zinc/10/37/89/802103789.db2.gz AIDKHKHYABEKKS-LLVKDONJSA-N 2 2 252.362 0.667 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2CC[C@@](F)(C[NH3+])C2)cc1 ZINC001161245015 802115631 /nfs/dbraw/zinc/11/56/31/802115631.db2.gz AQQQTYMKQKJBPN-TZMCWYRMSA-N 3 2 280.347 0.158 20 0 CCADLP O=C(NCCC[NH2+]CCF)[C@H]1CCc2c[nH+]cn2C1 ZINC001161314472 802123234 /nfs/dbraw/zinc/12/32/34/802123234.db2.gz ACSKHFWKGHCXNB-NSHDSACASA-N 2 2 268.336 0.511 20 0 CCADLP COCCC[NH2+]CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001161315278 802125394 /nfs/dbraw/zinc/12/53/94/802125394.db2.gz PAYLRWTWUISLNW-CYBMUJFWSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@]1(C(=O)N2CC[NH2+]C3(CC3)C2)CC(F)(F)C[NH2+]1 ZINC001161544989 802175603 /nfs/dbraw/zinc/17/56/03/802175603.db2.gz KIAIRZHDYKRDPT-SNVBAGLBSA-N 2 2 259.300 0.338 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)[C@@H](C)n2cc[nH+]c2)CC1 ZINC000056968714 802223685 /nfs/dbraw/zinc/22/36/85/802223685.db2.gz WPXGRFRFTPJMTI-GFCCVEGCSA-N 2 2 250.346 0.997 20 0 CCADLP NC(=O)c1cc(F)cnc1NCC[NH+]1CCC([NH3+])CC1 ZINC001161870510 802236079 /nfs/dbraw/zinc/23/60/79/802236079.db2.gz LXVXXANNGIJVNZ-UHFFFAOYSA-N 2 2 281.335 0.155 20 0 CCADLP C[C@@H](CN1CC[NH2+]CC1)Nc1ncnc2c1C[N@H+](C)CC2 ZINC001162092623 802274737 /nfs/dbraw/zinc/27/47/37/802274737.db2.gz JMAOZQUDKLXLMO-LBPRGKRZSA-N 2 2 290.415 0.170 20 0 CCADLP C[C@@H](CN1CC[NH2+]CC1)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001162092623 802274741 /nfs/dbraw/zinc/27/47/41/802274741.db2.gz JMAOZQUDKLXLMO-LBPRGKRZSA-N 2 2 290.415 0.170 20 0 CCADLP Cc1nc(-n2cncn2)cc(N[C@H]2C[C@@](C)([NH3+])C2)[nH+]1 ZINC001162331105 802324726 /nfs/dbraw/zinc/32/47/26/802324726.db2.gz LDDNDZJXNRTAFI-WVSHTKLVSA-N 2 2 259.317 0.657 20 0 CCADLP CC(C)NC(=O)CN1CC[NH+]([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254523869 808254304 /nfs/dbraw/zinc/25/43/04/808254304.db2.gz SFRPVCIVEKTHCS-OAHLLOKOSA-N 2 2 296.459 0.613 20 0 CCADLP CC(C)NC(=O)CN1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254523869 808254310 /nfs/dbraw/zinc/25/43/10/808254310.db2.gz SFRPVCIVEKTHCS-OAHLLOKOSA-N 2 2 296.459 0.613 20 0 CCADLP COC(=O)c1c[nH+]c(N[C@@H]2COC[C@@H]2[NH3+])c2ccn(C)c21 ZINC001162917612 802436201 /nfs/dbraw/zinc/43/62/01/802436201.db2.gz RANSXXNYLZXECG-WDEREUQCSA-N 2 2 290.323 0.498 20 0 CCADLP C[NH+]1CCN(c2cccc(NC[C@H]3CNC(=O)O3)[nH+]2)CC1 ZINC001163018021 802459929 /nfs/dbraw/zinc/45/99/29/802459929.db2.gz BTUVJNJUHKEPIW-NSHDSACASA-N 2 2 291.355 0.354 20 0 CCADLP Cc1nc2c(ccn2C)c(NC[C@@]23C[NH2+][C@@H](CO2)C3)[nH+]1 ZINC001163192993 802503652 /nfs/dbraw/zinc/50/36/52/802503652.db2.gz IEGXPNZSRXKVFI-QMTHXVAHSA-N 2 2 273.340 0.820 20 0 CCADLP O=C1C[C@H]2[NH2+]CC[C@]2(Nc2cccn3cc[nH+]c23)N1 ZINC001163238401 802511993 /nfs/dbraw/zinc/51/19/93/802511993.db2.gz BSYDQKQVRLDZPH-MFKMUULPSA-N 2 2 257.297 0.324 20 0 CCADLP Cn1c[nH+]c2ccc(N[C@]34CC[NH2+][C@@H]3CC(=O)N4)cc21 ZINC001163247741 802516364 /nfs/dbraw/zinc/51/63/64/802516364.db2.gz FCNFYEPITFZOOP-OCCSQVGLSA-N 2 2 271.324 0.563 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCC[NH2+]Cc1csnn1 ZINC001163588151 802572930 /nfs/dbraw/zinc/57/29/30/802572930.db2.gz BHQSXLVKPCTMEW-UHFFFAOYSA-N 2 2 294.384 0.421 20 0 CCADLP C[C@@H]1CC[C@H](C[NH2+]CCCNC(=O)CCn2cc[nH+]c2)O1 ZINC001163593542 802573943 /nfs/dbraw/zinc/57/39/43/802573943.db2.gz KAZMPTXHMHEONU-ZIAGYGMSSA-N 2 2 294.399 0.937 20 0 CCADLP COC(=O)c1c[nH]c2nc[nH+]c(N(C)CC[NH+](C)C)c12 ZINC001163590590 802574442 /nfs/dbraw/zinc/57/44/42/802574442.db2.gz ZVOUPMLKBUVYOJ-UHFFFAOYSA-N 2 2 277.328 0.742 20 0 CCADLP Cc1ncoc1C[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163594273 802574508 /nfs/dbraw/zinc/57/45/08/802574508.db2.gz UFLIGONPYIZEIS-UHFFFAOYSA-N 2 2 291.355 0.866 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCC[NH2+]C[C@@H]1CCCCO1 ZINC001163593626 802574780 /nfs/dbraw/zinc/57/47/80/802574780.db2.gz NVBMIQKQJUBPKU-AWEZNQCLSA-N 2 2 294.399 0.938 20 0 CCADLP Cc1cc(C[NH3+])nn1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001163985433 802645645 /nfs/dbraw/zinc/64/56/45/802645645.db2.gz QPRHJLGXMGDRPX-UHFFFAOYSA-N 3 2 282.351 0.974 20 0 CCADLP C[NH+](C)C1(CNc2nccc3n[nH]nc32)CC[NH+](C)CC1 ZINC001164206037 802687663 /nfs/dbraw/zinc/68/76/63/802687663.db2.gz GOEKWAYUQNMEMN-UHFFFAOYSA-N 2 2 289.387 0.791 20 0 CCADLP Cn1c[nH+]cc1NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001164212043 802688405 /nfs/dbraw/zinc/68/84/05/802688405.db2.gz WPYYCUUIRHBYGY-UHFFFAOYSA-N 3 2 251.378 0.858 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Nc2ccc3c(c2)C[NH2+]C3)C[NH2+]1 ZINC001164308840 802716995 /nfs/dbraw/zinc/71/69/95/802716995.db2.gz UTNICQMLSKUWNL-STQMWFEESA-N 2 2 261.325 0.605 20 0 CCADLP CCC(=O)Nc1cc(N[C@@H]2C[NH2+][C@H](C(=O)OC)C2)cc[nH+]1 ZINC001164311757 802719190 /nfs/dbraw/zinc/71/91/90/802719190.db2.gz UPAARQLZFTZKQC-QWRGUYRKSA-N 2 2 292.339 0.746 20 0 CCADLP Nc1nc(N2CC[NH+](CCc3ccncc3)CC2)cc[nH+]1 ZINC001165060012 802779702 /nfs/dbraw/zinc/77/97/02/802779702.db2.gz MRDQAPJWSLFWJA-UHFFFAOYSA-N 2 2 284.367 0.819 20 0 CCADLP Cc1nc(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)c2c([nH+]1)CCC2 ZINC001165271491 802809100 /nfs/dbraw/zinc/80/91/00/802809100.db2.gz XFHPSCFTGPEBFZ-KBPBESRZSA-N 2 2 274.368 0.841 20 0 CCADLP c1nc(N2CCC[C@H]3[NH2+]C[C@@H]32)cc(N2CCOCC2)[nH+]1 ZINC001165387674 802832942 /nfs/dbraw/zinc/83/29/42/802832942.db2.gz QRZRWPITRBDHOI-NEPJUHHUSA-N 2 2 275.356 0.254 20 0 CCADLP C[C@@H](O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001166960537 802995631 /nfs/dbraw/zinc/99/56/31/802995631.db2.gz JNHHTKIVPVWPLY-IJLUTSLNSA-N 2 2 280.372 0.000 20 0 CCADLP Nc1nc(-n2cc3c(cccc3N3CC[NH2+]CC3)n2)cc[nH+]1 ZINC001166994862 803009975 /nfs/dbraw/zinc/00/99/75/803009975.db2.gz ZPCPWXVLBVKSMO-UHFFFAOYSA-N 2 2 295.350 0.807 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+]CCCO)C12CCC2 ZINC001203444291 803027930 /nfs/dbraw/zinc/02/79/30/803027930.db2.gz RKZKJEACDAYRAQ-OLZOCXBDSA-N 2 2 292.383 0.352 20 0 CCADLP COC[C@H](C)[NH2+]C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001203494023 803030724 /nfs/dbraw/zinc/03/07/24/803030724.db2.gz IXJZIEHPXUTFKW-NSHDSACASA-N 2 2 294.399 0.876 20 0 CCADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)C1C[NH+](CCCF)C1 ZINC001276468994 803086002 /nfs/dbraw/zinc/08/60/02/803086002.db2.gz QEMQAHUICAGWCC-LLVKDONJSA-N 2 2 268.336 0.679 20 0 CCADLP CCOC(=O)c1ccc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)[nH]1 ZINC001205681128 803154256 /nfs/dbraw/zinc/15/42/56/803154256.db2.gz FOVYDLZPGWDWHG-HNNXBMFYSA-N 2 2 295.383 0.867 20 0 CCADLP CCOC(=O)c1ccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)[nH]1 ZINC001205681128 803154261 /nfs/dbraw/zinc/15/42/61/803154261.db2.gz FOVYDLZPGWDWHG-HNNXBMFYSA-N 2 2 295.383 0.867 20 0 CCADLP COC(=O)c1ccc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)[nH]1 ZINC001205688090 803155699 /nfs/dbraw/zinc/15/56/99/803155699.db2.gz FBPYSJIOTJZJQA-CQSZACIVSA-N 2 2 281.356 0.477 20 0 CCADLP COC(=O)c1ccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)[nH]1 ZINC001205688090 803155703 /nfs/dbraw/zinc/15/57/03/803155703.db2.gz FBPYSJIOTJZJQA-CQSZACIVSA-N 2 2 281.356 0.477 20 0 CCADLP CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1C ZINC001205953323 803190729 /nfs/dbraw/zinc/19/07/29/803190729.db2.gz UGHJLMJDHRNMKL-CHWSQXEVSA-N 2 2 295.383 0.702 20 0 CCADLP CCOC(=O)c1[nH]c(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1C ZINC001205953323 803190732 /nfs/dbraw/zinc/19/07/32/803190732.db2.gz UGHJLMJDHRNMKL-CHWSQXEVSA-N 2 2 295.383 0.702 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](CC2C(=O)N=CNC2=O)CC[C@H]1F ZINC001206176346 803212565 /nfs/dbraw/zinc/21/25/65/803212565.db2.gz ZFVWJMDBZNPYCI-RKDXNWHRSA-N 2 2 256.281 0.149 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](CC2C(=O)N=CNC2=O)CC[C@H]1F ZINC001206176346 803212570 /nfs/dbraw/zinc/21/25/70/803212570.db2.gz ZFVWJMDBZNPYCI-RKDXNWHRSA-N 2 2 256.281 0.149 20 0 CCADLP COC(=O)c1ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1OC ZINC001206530953 803261237 /nfs/dbraw/zinc/26/12/37/803261237.db2.gz XXAFAUPKOWHCSY-AAEUAGOBSA-N 2 2 294.351 0.233 20 0 CCADLP COC(=O)c1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1OC ZINC001206530953 803261242 /nfs/dbraw/zinc/26/12/42/803261242.db2.gz XXAFAUPKOWHCSY-AAEUAGOBSA-N 2 2 294.351 0.233 20 0 CCADLP Nc1cc(Nc2cnn(CC[NH+]3CCOCC3)c2)cc[nH+]1 ZINC001206535866 803262667 /nfs/dbraw/zinc/26/26/67/803262667.db2.gz SXQCCMMXNPMLID-UHFFFAOYSA-N 2 2 288.355 0.936 20 0 CCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1C)[NH+](C)C ZINC001207697578 803439158 /nfs/dbraw/zinc/43/91/58/803439158.db2.gz GAHCQLFREIZWNC-IJLUTSLNSA-N 2 2 259.369 0.733 20 0 CCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1C)[NH+](C)C ZINC001207697578 803439166 /nfs/dbraw/zinc/43/91/66/803439166.db2.gz GAHCQLFREIZWNC-IJLUTSLNSA-N 2 2 259.369 0.733 20 0 CCADLP CC[N@@H+]1CCO[C@@H]2C[NH+](CC3(C)COC3)C[C@@H]2C1 ZINC001207795081 803450788 /nfs/dbraw/zinc/45/07/88/803450788.db2.gz QGAMSTPUVYNLNC-QWHCGFSZSA-N 2 2 254.374 0.675 20 0 CCADLP CC[N@H+]1CCO[C@@H]2C[NH+](CC3(C)COC3)C[C@@H]2C1 ZINC001207795081 803450790 /nfs/dbraw/zinc/45/07/90/803450790.db2.gz QGAMSTPUVYNLNC-QWHCGFSZSA-N 2 2 254.374 0.675 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@H+](CC3(C)COC3)C[C@@H]2C1 ZINC001207795081 803450791 /nfs/dbraw/zinc/45/07/91/803450791.db2.gz QGAMSTPUVYNLNC-QWHCGFSZSA-N 2 2 254.374 0.675 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@@H+](CC3(C)COC3)C[C@@H]2C1 ZINC001207795081 803450793 /nfs/dbraw/zinc/45/07/93/803450793.db2.gz QGAMSTPUVYNLNC-QWHCGFSZSA-N 2 2 254.374 0.675 20 0 CCADLP C[NH+]1CCN(C2C[NH+](CCCn3cccn3)C2)CC1 ZINC001208084030 803488958 /nfs/dbraw/zinc/48/89/58/803488958.db2.gz MMQWKWUMSVPBGS-UHFFFAOYSA-N 2 2 263.389 0.205 20 0 CCADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ncc(O)cn3)CC2)C1 ZINC001208614402 803530926 /nfs/dbraw/zinc/53/09/26/803530926.db2.gz DFMCRAWHKFDVRX-CYBMUJFWSA-N 2 2 291.399 0.646 20 0 CCADLP C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ncc(O)cn3)CC2)C1 ZINC001208614402 803530929 /nfs/dbraw/zinc/53/09/29/803530929.db2.gz DFMCRAWHKFDVRX-CYBMUJFWSA-N 2 2 291.399 0.646 20 0 CCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccon2)C[C@H]1C)[NH+](C)C ZINC001208699415 803538139 /nfs/dbraw/zinc/53/81/39/803538139.db2.gz PWULFPOZKOUTQQ-BNOWGMLFSA-N 2 2 294.399 0.951 20 0 CCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccon2)C[C@H]1C)[NH+](C)C ZINC001208699415 803538141 /nfs/dbraw/zinc/53/81/41/803538141.db2.gz PWULFPOZKOUTQQ-BNOWGMLFSA-N 2 2 294.399 0.951 20 0 CCADLP COCC[N@H+](CCN1CCOCC1)C1CC[NH+](C)CC1 ZINC001209292730 803588989 /nfs/dbraw/zinc/58/89/89/803588989.db2.gz XGAPDWSXRAOHFC-UHFFFAOYSA-N 2 2 285.432 0.361 20 0 CCADLP COCC[N@@H+](CCN1CCOCC1)C1CC[NH+](C)CC1 ZINC001209292730 803588990 /nfs/dbraw/zinc/58/89/90/803588990.db2.gz XGAPDWSXRAOHFC-UHFFFAOYSA-N 2 2 285.432 0.361 20 0 CCADLP Cc1nc(NCCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001101694025 814949006 /nfs/dbraw/zinc/94/90/06/814949006.db2.gz KVUQFNQUJFLMBS-ZDUSSCGKSA-N 2 2 291.399 0.997 20 0 CCADLP Cc1nc(NCCN(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001101694025 814949018 /nfs/dbraw/zinc/94/90/18/814949018.db2.gz KVUQFNQUJFLMBS-ZDUSSCGKSA-N 2 2 291.399 0.997 20 0 CCADLP C[C@H]1C[C@@H]1C[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001209422412 803603028 /nfs/dbraw/zinc/60/30/28/803603028.db2.gz YKRQUFQVMGJTDI-LSDHHAIUSA-N 2 2 267.417 0.592 20 0 CCADLP C[NH+](C)CCN1CCC2(C[NH+](Cc3ccc(N)nc3)C2)C1 ZINC001276654504 803615179 /nfs/dbraw/zinc/61/51/79/803615179.db2.gz ODKZAASWADSDAJ-UHFFFAOYSA-N 2 2 289.427 0.733 20 0 CCADLP C[C@@H]1C[N@H+](C2CN(Cc3c[nH+]ccc3N)C2)C[C@H](C)O1 ZINC001209733110 803625757 /nfs/dbraw/zinc/62/57/57/803625757.db2.gz HUHDYCVXNDSAEI-TXEJJXNPSA-N 2 2 276.384 0.788 20 0 CCADLP C[C@@H]1C[N@@H+](C2CN(Cc3c[nH+]ccc3N)C2)C[C@H](C)O1 ZINC001209733110 803625761 /nfs/dbraw/zinc/62/57/61/803625761.db2.gz HUHDYCVXNDSAEI-TXEJJXNPSA-N 2 2 276.384 0.788 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001215269216 803786757 /nfs/dbraw/zinc/78/67/57/803786757.db2.gz QUAAOTBEDCHPMA-MGPQQGTHSA-N 2 2 294.399 0.745 20 0 CCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]CCCO ZINC001215269112 803787869 /nfs/dbraw/zinc/78/78/69/803787869.db2.gz MMPAZONISPQZQS-CHWSQXEVSA-N 2 2 280.372 0.092 20 0 CCADLP [NH3+]C[C@H]([NH3+])Cc1nnc(Cc2cccc(F)c2)o1 ZINC001217726464 803906529 /nfs/dbraw/zinc/90/65/29/803906529.db2.gz GTTBMGSAUFIYRR-SNVBAGLBSA-N 2 2 250.277 0.628 20 0 CCADLP COc1ccc(-c2nnc([C@H]3C[NH2+]C[C@@H]3[NH3+])o2)cc1 ZINC001217743557 803909930 /nfs/dbraw/zinc/90/99/30/803909930.db2.gz FWYJWDBHCRIJOX-QWRGUYRKSA-N 2 2 260.297 0.759 20 0 CCADLP CC[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1[NH2+]CCCO ZINC001276764236 803925563 /nfs/dbraw/zinc/92/55/63/803925563.db2.gz YQSDRNGVCPIUMV-STQMWFEESA-N 2 2 294.399 0.551 20 0 CCADLP [NH3+]C1(C(=O)Nc2nc3ccc(F)cc3o2)CC[NH2+]CC1 ZINC001218496668 803962044 /nfs/dbraw/zinc/96/20/44/803962044.db2.gz IMTJAYQCKJCPKW-UHFFFAOYSA-N 2 2 278.287 0.986 20 0 CCADLP Cc1cc(C[C@@H](C)NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)on1 ZINC001218500188 803965508 /nfs/dbraw/zinc/96/55/08/803965508.db2.gz CSMOQXNCBQGKKT-PRHODGIISA-N 2 2 277.328 0.323 20 0 CCADLP Cc1cc(C[C@@H](C)NC(=O)C2([NH3+])CC[NH2+]CC2)on1 ZINC001218502248 803968128 /nfs/dbraw/zinc/96/81/28/803968128.db2.gz YCYOPKPCMJCGJP-SECBINFHSA-N 2 2 266.345 0.111 20 0 CCADLP COC(=O)c1ccc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)cn1 ZINC001218509132 803975414 /nfs/dbraw/zinc/97/54/14/803975414.db2.gz IDCVDDMZUPJTLX-JTQLQIEISA-N 2 2 289.295 0.100 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1cc(C2CC2)[nH]n1 ZINC001218520441 803981581 /nfs/dbraw/zinc/98/15/81/803981581.db2.gz CLEYUOMXPJNUKA-UHFFFAOYSA-N 2 2 263.345 0.567 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1[nH]nc2cccnc21 ZINC001218522251 803984796 /nfs/dbraw/zinc/98/47/96/803984796.db2.gz GUAJRTSLLHTPBP-VIFPVBQESA-N 2 2 285.311 0.200 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1[nH]nc2cccnc21 ZINC001218524114 803986224 /nfs/dbraw/zinc/98/62/24/803986224.db2.gz UZQTUNIAHMWWSN-MRVPVSSYSA-N 2 2 271.284 0.190 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1nnc(-c2ccco2)o1 ZINC001218526051 803987537 /nfs/dbraw/zinc/98/75/37/803987537.db2.gz OIZMVZXWWCWYFH-UHFFFAOYSA-N 2 2 291.311 0.610 20 0 CCADLP COC(=O)c1ccnc(Cl)c1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218592326 804025698 /nfs/dbraw/zinc/02/56/98/804025698.db2.gz FOMOVURPTLIDHB-SVRRBLITSA-N 2 2 298.730 0.149 20 0 CCADLP CCNc1ccnc(Cl)c1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218613464 804033610 /nfs/dbraw/zinc/03/36/10/804033610.db2.gz LZSBJZADVKDOTO-ZETCQYMHSA-N 2 2 271.752 0.781 20 0 CCADLP COC(=O)c1scnc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218624817 804040293 /nfs/dbraw/zinc/04/02/93/804040293.db2.gz OUFSDHXORLDAHO-ZETCQYMHSA-N 2 2 295.324 0.161 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1csc2cnccc12 ZINC001218635985 804049219 /nfs/dbraw/zinc/04/92/19/804049219.db2.gz SDFIRYYFRSRJEZ-IUCAKERBSA-N 2 2 262.338 0.782 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1c(Cl)cnnc1Cl ZINC001218651827 804061395 /nfs/dbraw/zinc/06/13/95/804061395.db2.gz DYNBHGMXKRYWEV-YFKPBYRVSA-N 2 2 264.116 0.398 20 0 CCADLP CCOC(=O)c1cc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)c[nH]1 ZINC001218650187 804061639 /nfs/dbraw/zinc/06/16/39/804061639.db2.gz ULGDACQQKYLSSC-JTQLQIEISA-N 2 2 291.311 0.423 20 0 CCADLP CCc1ccc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)cn1 ZINC001218653327 804065194 /nfs/dbraw/zinc/06/51/94/804065194.db2.gz XDOCCVRMDPHGNM-LBPRGKRZSA-N 2 2 259.313 0.876 20 0 CCADLP Cc1cc(C)c2c(NC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])nn(C)c2n1 ZINC001218660872 804070885 /nfs/dbraw/zinc/07/08/85/804070885.db2.gz ILFXFGQDDNOGCR-UWVGGRQHSA-N 2 2 288.355 0.070 20 0 CCADLP Nc1cc[nH]c(=O)c1NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001218678789 804076748 /nfs/dbraw/zinc/07/67/48/804076748.db2.gz LQFAVEJZQVUJRW-LLVKDONJSA-N 2 2 287.323 0.580 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cc(Cl)[nH]c(=O)c1 ZINC001218693877 804080807 /nfs/dbraw/zinc/08/08/07/804080807.db2.gz LHNXDCPFWLNADP-QMMMGPOBSA-N 2 2 281.703 0.672 20 0 CCADLP COc1nc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc2ccccc21 ZINC001218760382 804112634 /nfs/dbraw/zinc/11/26/34/804112634.db2.gz HGPMGDFQLVYDHL-PWSUYJOCSA-N 2 2 286.335 0.871 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccn2nccc12 ZINC001218787430 804119124 /nfs/dbraw/zinc/11/91/24/804119124.db2.gz BAVUKWGFLOXTSJ-JTQLQIEISA-N 2 2 270.296 0.566 20 0 CCADLP [NH3+]C1(C(=O)Nc2ccc(-n3ccnn3)cc2)CC[NH2+]CC1 ZINC001218822825 804133316 /nfs/dbraw/zinc/13/33/16/804133316.db2.gz WPORAJDFXDDVBY-UHFFFAOYSA-N 2 2 286.339 0.287 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc2[nH]nc(Cl)c2c1 ZINC001218822665 804133592 /nfs/dbraw/zinc/13/35/92/804133592.db2.gz DDWCSRKPDSUTDC-QMMMGPOBSA-N 2 2 267.720 0.831 20 0 CCADLP Cc1noc(-c2ccc(NC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)cc2)n1 ZINC001218955912 804167076 /nfs/dbraw/zinc/16/70/76/804167076.db2.gz RCLJBXRKRVVWON-PWSUYJOCSA-N 2 2 287.323 0.673 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc2[nH]c(=O)ccc12 ZINC001218970675 804169556 /nfs/dbraw/zinc/16/95/56/804169556.db2.gz WXUYKBDYWPFHQD-UWVGGRQHSA-N 2 2 272.308 0.426 20 0 CCADLP CC[N@@H+]1C[C@H]2OCCN(C(=O)CCCn3cc[nH+]c3)[C@H]2C1 ZINC001219067250 804189960 /nfs/dbraw/zinc/18/99/60/804189960.db2.gz NJQVFIHGZBGEAM-UONOGXRCSA-N 2 2 292.383 0.595 20 0 CCADLP CC[N@H+]1C[C@H]2OCCN(C(=O)CCCn3cc[nH+]c3)[C@H]2C1 ZINC001219067250 804189964 /nfs/dbraw/zinc/18/99/64/804189964.db2.gz NJQVFIHGZBGEAM-UONOGXRCSA-N 2 2 292.383 0.595 20 0 CCADLP Nc1ccc2c(c1)CCCN2C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001219266396 804253315 /nfs/dbraw/zinc/25/33/15/804253315.db2.gz IIEJZNNGPOBHTP-UHFFFAOYSA-N 2 2 274.368 0.629 20 0 CCADLP Cc1cc(N)ccc1NC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001219319429 804270232 /nfs/dbraw/zinc/27/02/32/804270232.db2.gz ZLSSGCQAGUFDDK-ZDUSSCGKSA-N 2 2 291.399 0.266 20 0 CCADLP Cc1nocc1CNC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001219608018 804374179 /nfs/dbraw/zinc/37/41/79/804374179.db2.gz LYTPRXDLMJDAFQ-ZDUSSCGKSA-N 2 2 274.324 0.872 20 0 CCADLP C[C@H]1C[NH2+]C[C@@H](CNC(=O)Cc2cc[nH+]c(N)c2)C1 ZINC001219650487 804392294 /nfs/dbraw/zinc/39/22/94/804392294.db2.gz ORNDRAIGCSBMPT-PWSUYJOCSA-N 2 2 262.357 0.568 20 0 CCADLP O=C(NCCOc1ccccc1F)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219936913 804452175 /nfs/dbraw/zinc/45/21/75/804452175.db2.gz YTSJOHLVSFEMMQ-XHDPSFHLSA-N 2 2 293.342 0.272 20 0 CCADLP CNc1ccc(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)cc1 ZINC001219954491 804458759 /nfs/dbraw/zinc/45/87/59/804458759.db2.gz KLOUUHGXTVOCCK-AWEZNQCLSA-N 2 2 287.367 0.648 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1ccccc1C1CC1 ZINC001220003668 804467597 /nfs/dbraw/zinc/46/75/97/804467597.db2.gz RZPQULPHGXHFKV-KBPBESRZSA-N 2 2 259.353 0.727 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccncc1F ZINC001220036555 804479799 /nfs/dbraw/zinc/47/97/99/804479799.db2.gz PUVXNUKFTKKNHT-NSHDSACASA-N 2 2 263.276 0.130 20 0 CCADLP O=C(NCc1n[nH]c2ccccc21)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220044882 804482191 /nfs/dbraw/zinc/48/21/91/804482191.db2.gz CNHXHNKNNPULLC-MEBBXXQBSA-N 2 2 285.351 0.131 20 0 CCADLP CCCCOC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220049692 804485766 /nfs/dbraw/zinc/48/57/66/804485766.db2.gz OLDVRGUGDUIZPO-ONGXEEELSA-N 2 2 282.344 0.128 20 0 CCADLP CCCC[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001220052045 804487208 /nfs/dbraw/zinc/48/72/08/804487208.db2.gz QABWVSIUHQMFFI-OLZOCXBDSA-N 2 2 294.399 0.314 20 0 CCADLP CCCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001220052045 804487211 /nfs/dbraw/zinc/48/72/11/804487211.db2.gz QABWVSIUHQMFFI-OLZOCXBDSA-N 2 2 294.399 0.314 20 0 CCADLP O=C(NC1(c2ccccn2)CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220137129 804509778 /nfs/dbraw/zinc/50/97/78/804509778.db2.gz SDPMDJVRHVSGKX-IAQYHMDHSA-N 2 2 272.352 0.138 20 0 CCADLP C=Cc1ccc(CNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)cc1 ZINC001220219099 804540325 /nfs/dbraw/zinc/54/03/25/804540325.db2.gz PTCUCKMWJAUIFQ-GDBMZVCRSA-N 2 2 271.364 0.897 20 0 CCADLP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220221287 804543116 /nfs/dbraw/zinc/54/31/16/804543116.db2.gz YCFFNYJDQLIMRO-RYUDHWBXSA-N 3 2 268.405 0.056 20 0 CCADLP Cc1ccc([C@@H](C)NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)nc1 ZINC001220266612 804555213 /nfs/dbraw/zinc/55/52/13/804555213.db2.gz SYIFNRWBDJDBDM-ZYHUDNBSSA-N 2 2 273.340 0.860 20 0 CCADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220332980 804576653 /nfs/dbraw/zinc/57/66/53/804576653.db2.gz RHNDSHGZZJXRBP-NHIYQJMISA-N 3 2 294.443 0.445 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc2ocnc2c1 ZINC001220679064 804648089 /nfs/dbraw/zinc/64/80/89/804648089.db2.gz SNGSFIAOUFQQNU-LLVKDONJSA-N 2 2 285.307 0.737 20 0 CCADLP [NH3+]C1(C(=O)NCCc2cc(F)cc(F)c2)CC[NH2+]CC1 ZINC001220734196 804657909 /nfs/dbraw/zinc/65/79/09/804657909.db2.gz HFXGHWILMNZTDC-UHFFFAOYSA-N 2 2 283.322 0.704 20 0 CCADLP O=C(NCc1sccc1Cl)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220821710 804672566 /nfs/dbraw/zinc/67/25/66/804672566.db2.gz OZPAPWKHEKLWMM-PRHODGIISA-N 2 2 285.800 0.969 20 0 CCADLP O=C(NCc1ccc(O)cc1F)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220821521 804673116 /nfs/dbraw/zinc/67/31/16/804673116.db2.gz MVBBLRWYBTTZCB-IINYFYTJSA-N 2 2 279.315 0.099 20 0 CCADLP CCCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220888490 804691995 /nfs/dbraw/zinc/69/19/95/804691995.db2.gz OAWSSHWMLMBOPS-KGLIPLIRSA-N 2 2 294.399 0.314 20 0 CCADLP CCCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220888490 804691999 /nfs/dbraw/zinc/69/19/99/804691999.db2.gz OAWSSHWMLMBOPS-KGLIPLIRSA-N 2 2 294.399 0.314 20 0 CCADLP Nc1[nH]c2cc(C(=O)N[C@H]3CCC[NH2+]C3)ccc2[nH+]1 ZINC001220898275 804695997 /nfs/dbraw/zinc/69/59/97/804695997.db2.gz DMWQBHFFTVCRRJ-VIFPVBQESA-N 2 2 259.313 0.627 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@H]2COc3ccc(Cl)cc32)C1 ZINC001220955729 804707670 /nfs/dbraw/zinc/70/76/70/804707670.db2.gz OPSULJVISAOZET-MIMYLULJSA-N 2 2 281.743 0.579 20 0 CCADLP CC/C=C\CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221164504 804739489 /nfs/dbraw/zinc/73/94/89/804739489.db2.gz JCRLBUGCHSMCBU-TYHIMRJMSA-N 2 2 292.383 0.401 20 0 CCADLP CC/C=C\CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221164504 804739495 /nfs/dbraw/zinc/73/94/95/804739495.db2.gz JCRLBUGCHSMCBU-TYHIMRJMSA-N 2 2 292.383 0.401 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCCc1ccc(CO)cc1 ZINC001221190271 804741833 /nfs/dbraw/zinc/74/18/33/804741833.db2.gz GYWUSAWGCMVPEZ-CQSZACIVSA-N 2 2 288.351 0.131 20 0 CCADLP Cc1cccc([C@@H](CO)NC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)c1 ZINC001221192475 804743801 /nfs/dbraw/zinc/74/38/01/804743801.db2.gz UHZJSHWDRMQUMC-FMKPAKJESA-N 2 2 289.379 0.096 20 0 CCADLP Cn1ncc2c1cccc2CNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221306527 804772198 /nfs/dbraw/zinc/77/21/98/804772198.db2.gz SSEPEVMTKHVFQH-BLLLJJGKSA-N 2 2 299.378 0.141 20 0 CCADLP CCCC(C[NH3+])(CCC)NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221371670 804790969 /nfs/dbraw/zinc/79/09/69/804790969.db2.gz HLTDPYVCNRECBY-DOMZBBRYSA-N 3 2 282.432 0.352 20 0 CCADLP O=C(NCCOc1cc[nH+]cc1)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001221394312 804800894 /nfs/dbraw/zinc/80/08/94/804800894.db2.gz ZPRBKRGQRRBJNY-JQWIXIFHSA-N 2 2 267.304 0.667 20 0 CCADLP C[C@@H](NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)c1ccno1 ZINC001221397816 804803611 /nfs/dbraw/zinc/80/36/11/804803611.db2.gz UFSGLCCOAHPQHK-HNBLOZHYSA-N 2 2 250.302 0.074 20 0 CCADLP Nc1[nH+]cccc1-c1cnc(O[C@H]2CC[NH2+]C2)nc1 ZINC001243475439 807038750 /nfs/dbraw/zinc/03/87/50/807038750.db2.gz ZKDHXNSEUOPMSM-JTQLQIEISA-N 2 2 257.297 0.862 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H](C[NH2+]CCCO)C1 ZINC001277058783 805144886 /nfs/dbraw/zinc/14/48/86/805144886.db2.gz OKUPGNAKRGEAHJ-AVGNSLFASA-N 2 2 294.399 0.455 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H](C[NH2+]CCCO)C1 ZINC001277058783 805144888 /nfs/dbraw/zinc/14/48/88/805144888.db2.gz OKUPGNAKRGEAHJ-AVGNSLFASA-N 2 2 294.399 0.455 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]CCCO ZINC001226696493 805267741 /nfs/dbraw/zinc/26/77/41/805267741.db2.gz IWYOPECKVGLMQF-ZIAGYGMSSA-N 2 2 294.399 0.742 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCCC[C@H]1[NH2+]CCCO ZINC001226696493 805267751 /nfs/dbraw/zinc/26/77/51/805267751.db2.gz IWYOPECKVGLMQF-ZIAGYGMSSA-N 2 2 294.399 0.742 20 0 CCADLP COCCC[NH+]1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001229723332 805552045 /nfs/dbraw/zinc/55/20/45/805552045.db2.gz NUFRKOXFYVFZIX-UHFFFAOYSA-N 2 2 280.372 0.569 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CC12C[NH2+]C2)c1ccc(F)c(F)c1 ZINC001246008951 807114147 /nfs/dbraw/zinc/11/41/47/807114147.db2.gz ICHAEWMULAWFEU-VXGBXAGGSA-N 2 2 254.280 0.950 20 0 CCADLP COc1cccc(OC[C@@H](O)C[N@@H+]2CCC[NH2+]CC2)c1 ZINC001246014840 807115410 /nfs/dbraw/zinc/11/54/10/807115410.db2.gz SABPCDVKCHWZHW-ZDUSSCGKSA-N 2 2 280.368 0.730 20 0 CCADLP COc1cccc(OC[C@@H](O)C[N@H+]2CCC[NH2+]CC2)c1 ZINC001246014840 807115415 /nfs/dbraw/zinc/11/54/15/807115415.db2.gz SABPCDVKCHWZHW-ZDUSSCGKSA-N 2 2 280.368 0.730 20 0 CCADLP O[C@H](C[NH2+]C[C@H]1C[NH2+]CCN1)COc1ccc(Cl)cc1 ZINC001246017775 807117818 /nfs/dbraw/zinc/11/78/18/807117818.db2.gz ZMVQWUXYNTYHIY-CHWSQXEVSA-N 2 2 299.802 0.231 20 0 CCADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1C[C@@H](O)COCc1ccco1 ZINC001246022925 807122569 /nfs/dbraw/zinc/12/25/69/807122569.db2.gz QZAXZBPZCBCIJC-NQBHXWOUSA-N 2 2 254.330 0.579 20 0 CCADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1C[C@@H](O)COCc1ccco1 ZINC001246022925 807122571 /nfs/dbraw/zinc/12/25/71/807122571.db2.gz QZAXZBPZCBCIJC-NQBHXWOUSA-N 2 2 254.330 0.579 20 0 CCADLP COc1cccc(OC[C@H](O)C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1 ZINC001246048471 807133569 /nfs/dbraw/zinc/13/35/69/807133569.db2.gz XLLKHYFBTXHULX-IOASZLSFSA-N 2 2 292.379 0.858 20 0 CCADLP COc1cccc(OC[C@H](O)C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1 ZINC001246048471 807133572 /nfs/dbraw/zinc/13/35/72/807133572.db2.gz XLLKHYFBTXHULX-IOASZLSFSA-N 2 2 292.379 0.858 20 0 CCADLP [NH3+][C@H]1CC[N@H+](C[C@H](O)COCC(F)(F)C(F)F)C1 ZINC001246068689 807139485 /nfs/dbraw/zinc/13/94/85/807139485.db2.gz IZKKQYOPDSOLQN-YUMQZZPRSA-N 2 2 274.258 0.297 20 0 CCADLP [NH3+][C@H]1CC[N@@H+](C[C@H](O)COCC(F)(F)C(F)F)C1 ZINC001246068689 807139492 /nfs/dbraw/zinc/13/94/92/807139492.db2.gz IZKKQYOPDSOLQN-YUMQZZPRSA-N 2 2 274.258 0.297 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)CN1 ZINC001246085391 807148313 /nfs/dbraw/zinc/14/83/13/807148313.db2.gz QOZVDGZVLQOZSA-YFKTTZPYSA-N 2 2 255.362 0.010 20 0 CCADLP C[C@H]1[NH2+]CC[C@H]1N[C@@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246101036 807153850 /nfs/dbraw/zinc/15/38/50/807153850.db2.gz IORICHXHHPKOOY-KXNHARMFSA-N 2 2 269.389 0.399 20 0 CCADLP CC[C@@]1(C(=O)OC)C[C@@H](N[C@H]2CCCC[NH2+]C2)C[NH2+]1 ZINC001246113424 807156803 /nfs/dbraw/zinc/15/68/03/807156803.db2.gz AOKIZLPLVNURLA-SCRDCRAPSA-N 2 2 269.389 0.402 20 0 CCADLP CC[C@@]1(C(=O)OC)C[C@H](N[C@@H]2C[NH2+]CC[C@H]2C)C[NH2+]1 ZINC001246116088 807158911 /nfs/dbraw/zinc/15/89/11/807158911.db2.gz DNZZNYFRHRUPDX-CZXHOFHRSA-N 2 2 269.389 0.258 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@@H](N[C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246127731 807160825 /nfs/dbraw/zinc/16/08/25/807160825.db2.gz MYOWBMWGRAMDFJ-DMDPSCGWSA-N 2 2 255.362 0.012 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246233264 807194250 /nfs/dbraw/zinc/19/42/50/807194250.db2.gz IPPAORHLCCSRRL-FOSCPWQOSA-N 3 2 251.378 0.041 20 0 CCADLP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](C[NH2+][C@@H]2CCC[NH2+]C2)O1 ZINC001246287398 807208089 /nfs/dbraw/zinc/20/80/89/807208089.db2.gz MNKXSXSAJSCBGI-LPWJVIDDSA-N 3 2 257.378 0.053 20 0 CCADLP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[NH2+]C[C@@H]1CO ZINC001246299501 807211942 /nfs/dbraw/zinc/21/19/42/807211942.db2.gz LFLWTYDDNBGIBW-MPKXVKKWSA-N 2 2 252.333 0.927 20 0 CCADLP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1C[NH2+]C[C@@H]1CO)C2 ZINC001246304076 807215692 /nfs/dbraw/zinc/21/56/92/807215692.db2.gz GSTIORHHEJXQEX-UMVBOHGHSA-N 2 2 262.353 0.332 20 0 CCADLP C[C@H]1CC[C@@H]([NH2+]CCOc2ccc(C(N)=O)cc2)C[NH2+]1 ZINC001246328322 807224254 /nfs/dbraw/zinc/22/42/54/807224254.db2.gz LACAVRVMZHRXCU-WCQYABFASA-N 2 2 277.368 0.894 20 0 CCADLP c1cc(N2CCC[C@H]([NH2+][C@@H]3CCC[NH2+]C3)C2)ncn1 ZINC001246383937 807238840 /nfs/dbraw/zinc/23/88/40/807238840.db2.gz MRBWEZKRTLVQIG-OLZOCXBDSA-N 2 2 261.373 0.787 20 0 CCADLP CCCCCOC(=O)C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246477897 807260113 /nfs/dbraw/zinc/26/01/13/807260113.db2.gz IVWUZNBIUXGLCW-GFCCVEGCSA-N 2 2 269.389 0.403 20 0 CCADLP C[NH2+][C@H]1C[C@@H]([NH2+][C@H]2CN[C@H](C(=O)OC(C)(C)C)C2)C1 ZINC001246494127 807264410 /nfs/dbraw/zinc/26/44/10/807264410.db2.gz DTTSQJNMGSVSPK-KXNHARMFSA-N 2 2 269.389 0.399 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@@](C)([NH3+])C2)C[C@H]1C(=O)OC ZINC001246526916 807273111 /nfs/dbraw/zinc/27/31/11/807273111.db2.gz COMFTEWSTVYBNE-RTWAVKEYSA-N 2 2 298.383 0.540 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CC[C@@](C)([NH3+])C2)C[C@H]1C(=O)OC ZINC001246526916 807273113 /nfs/dbraw/zinc/27/31/13/807273113.db2.gz COMFTEWSTVYBNE-RTWAVKEYSA-N 2 2 298.383 0.540 20 0 CCADLP CC1(C)C[C@H]([N@H+]2CCCC[C@](O)(C[NH3+])C2)CC[NH2+]1 ZINC001246555056 807285055 /nfs/dbraw/zinc/28/50/55/807285055.db2.gz AWGZULGXPCQHBC-OCCSQVGLSA-N 3 2 255.406 0.693 20 0 CCADLP CC1(C)C[C@H]([N@@H+]2CCCC[C@](O)(C[NH3+])C2)CC[NH2+]1 ZINC001246555056 807285047 /nfs/dbraw/zinc/28/50/47/807285047.db2.gz AWGZULGXPCQHBC-OCCSQVGLSA-N 3 2 255.406 0.693 20 0 CCADLP [NH3+][C@@H]1C[N@@H+]([C@@H]2CCO[C@H](c3ccccc3)C2)C[C@H]1O ZINC001246556013 807285799 /nfs/dbraw/zinc/28/57/99/807285799.db2.gz HAYKOGAJGASQED-TUVASFSCSA-N 2 2 262.353 0.911 20 0 CCADLP [NH3+][C@@H]1C[N@H+]([C@@H]2CCO[C@H](c3ccccc3)C2)C[C@H]1O ZINC001246556013 807285801 /nfs/dbraw/zinc/28/58/01/807285801.db2.gz HAYKOGAJGASQED-TUVASFSCSA-N 2 2 262.353 0.911 20 0 CCADLP C[N@@H+]1CCC[C@H]([NH+]2CCCC[C@](O)(C[NH3+])C2)CC1 ZINC001246561624 807291074 /nfs/dbraw/zinc/29/10/74/807291074.db2.gz RIDYPNBGCUNUAZ-KBPBESRZSA-N 3 2 255.406 0.646 20 0 CCADLP C[N@H+]1CCC[C@H]([NH+]2CCCC[C@](O)(C[NH3+])C2)CC1 ZINC001246561624 807291078 /nfs/dbraw/zinc/29/10/78/807291078.db2.gz RIDYPNBGCUNUAZ-KBPBESRZSA-N 3 2 255.406 0.646 20 0 CCADLP C[NH+]1CCC[C@H]([N@@H+]2CCCC[C@](O)(C[NH3+])C2)CC1 ZINC001246561624 807291084 /nfs/dbraw/zinc/29/10/84/807291084.db2.gz RIDYPNBGCUNUAZ-KBPBESRZSA-N 3 2 255.406 0.646 20 0 CCADLP C[NH+]1CCC[C@H]([N@H+]2CCCC[C@](O)(C[NH3+])C2)CC1 ZINC001246561624 807291090 /nfs/dbraw/zinc/29/10/90/807291090.db2.gz RIDYPNBGCUNUAZ-KBPBESRZSA-N 3 2 255.406 0.646 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+]([C@@H]2COc3ccc(Cl)cc3C2)C[C@H]1O ZINC001246587638 807307980 /nfs/dbraw/zinc/30/79/80/807307980.db2.gz VHOLGZWUHRSCGC-WCFLWFBJSA-N 2 2 282.771 0.895 20 0 CCADLP [NH3+]C[C@H]1C[N@H+]([C@@H]2COc3ccc(Cl)cc3C2)C[C@H]1O ZINC001246587638 807307988 /nfs/dbraw/zinc/30/79/88/807307988.db2.gz VHOLGZWUHRSCGC-WCFLWFBJSA-N 2 2 282.771 0.895 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N2CCC[C@]23CCC[NH2+]CC3)C[NH2+]1 ZINC001246606067 807320352 /nfs/dbraw/zinc/32/03/52/807320352.db2.gz LUPXWOAUONBXEP-YDHLFZDLSA-N 2 2 281.400 0.498 20 0 CCADLP CC(=O)N1CCO[C@@H]2CC[N@@H+]([C@@H]3CC[C@@H](C)[NH2+]C3)CC[C@@H]21 ZINC001246697478 807357677 /nfs/dbraw/zinc/35/76/77/807357677.db2.gz VFAKDQLPZPLNID-DMRZNYOFSA-N 2 2 295.427 0.839 20 0 CCADLP CC(=O)N1CCO[C@@H]2CC[N@H+]([C@@H]3CC[C@@H](C)[NH2+]C3)CC[C@@H]21 ZINC001246697478 807357688 /nfs/dbraw/zinc/35/76/88/807357688.db2.gz VFAKDQLPZPLNID-DMRZNYOFSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@H]1C[C@@H](N2CC[NH+](CC(=O)N3CCCC3)CC2)CC[NH2+]1 ZINC001246793344 807380212 /nfs/dbraw/zinc/38/02/12/807380212.db2.gz YGVBOTSFVMOQHI-GJZGRUSLSA-N 2 2 294.443 0.367 20 0 CCADLP C[C@@H]1CC[C@H](N2CC[N@H+](CC(N)=O)C(C)(C)C2)C[NH2+]1 ZINC001246820948 807395135 /nfs/dbraw/zinc/39/51/35/807395135.db2.gz RJYCGCIEKQZYFV-NEPJUHHUSA-N 2 2 268.405 0.008 20 0 CCADLP C[C@@H]1CC[C@H](N2CC[N@@H+](CC(N)=O)C(C)(C)C2)C[NH2+]1 ZINC001246820948 807395142 /nfs/dbraw/zinc/39/51/42/807395142.db2.gz RJYCGCIEKQZYFV-NEPJUHHUSA-N 2 2 268.405 0.008 20 0 CCADLP COCC[N@H+](C1CC[NH2+]CC1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246836856 807400554 /nfs/dbraw/zinc/40/05/54/807400554.db2.gz PKRQEHRZUDBVGZ-TZMCWYRMSA-N 3 2 255.406 0.827 20 0 CCADLP COCC[N@@H+](C1CC[NH2+]CC1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246836856 807400556 /nfs/dbraw/zinc/40/05/56/807400556.db2.gz PKRQEHRZUDBVGZ-TZMCWYRMSA-N 3 2 255.406 0.827 20 0 CCADLP CCOC(=O)[C@]12C[N@@H+](C3CC[NH+](C)CC3)C[C@H]1C[NH2+]CC2 ZINC001246856821 807408195 /nfs/dbraw/zinc/40/81/95/807408195.db2.gz VWIVWJGBXCHJSP-CZUORRHYSA-N 3 2 295.427 0.555 20 0 CCADLP CCOC(=O)[C@]12C[N@H+](C3CC[NH+](C)CC3)C[C@H]1C[NH2+]CC2 ZINC001246856821 807408200 /nfs/dbraw/zinc/40/82/00/807408200.db2.gz VWIVWJGBXCHJSP-CZUORRHYSA-N 3 2 295.427 0.555 20 0 CCADLP C[C@H]1C[C@H]([NH+]2CCN(c3ncccc3N)CC2)CC[NH2+]1 ZINC001246856852 807409102 /nfs/dbraw/zinc/40/91/02/807409102.db2.gz WIDVJADMVOKUIX-QWHCGFSZSA-N 2 2 275.400 0.926 20 0 CCADLP CC[C@@H]1C[C@H]([N@@H+]2C[C@@H]([NH3+])[C@@H](C(=O)OC)C2)CCO1 ZINC001246935015 807434151 /nfs/dbraw/zinc/43/41/51/807434151.db2.gz WYCIZTKNKYIYNP-WISYIIOYSA-N 2 2 256.346 0.376 20 0 CCADLP CC[C@@H]1C[C@H]([N@H+]2C[C@@H]([NH3+])[C@@H](C(=O)OC)C2)CCO1 ZINC001246935015 807434155 /nfs/dbraw/zinc/43/41/55/807434155.db2.gz WYCIZTKNKYIYNP-WISYIIOYSA-N 2 2 256.346 0.376 20 0 CCADLP O[C@H]1C[NH2+]C[C@@H]1c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001247711253 807481465 /nfs/dbraw/zinc/48/14/65/807481465.db2.gz OKRNFDSJUUWDSN-AAEUAGOBSA-N 2 2 297.318 0.970 20 0 CCADLP O[C@@H](CNc1cc[nH+]c2[nH]ccc21)C[NH+]1CCOCC1 ZINC001251003233 807635130 /nfs/dbraw/zinc/63/51/30/807635130.db2.gz JHRYUQRMNKWLOK-NSHDSACASA-N 2 2 276.340 0.620 20 0 CCADLP C[N@H+](C1CC1)C1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC001251019968 807643484 /nfs/dbraw/zinc/64/34/84/807643484.db2.gz ASBOIUXIPXKGMY-MRXNPFEDSA-N 2 2 297.443 0.238 20 0 CCADLP C[N@@H+](C1CC1)C1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC001251019968 807643489 /nfs/dbraw/zinc/64/34/89/807643489.db2.gz ASBOIUXIPXKGMY-MRXNPFEDSA-N 2 2 297.443 0.238 20 0 CCADLP CC[C@@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001251771527 807704222 /nfs/dbraw/zinc/70/42/22/807704222.db2.gz VIKHVPKINBSVIB-BZUAXINKSA-N 2 2 292.427 0.945 20 0 CCADLP CC[C@@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001251771527 807704226 /nfs/dbraw/zinc/70/42/26/807704226.db2.gz VIKHVPKINBSVIB-BZUAXINKSA-N 2 2 292.427 0.945 20 0 CCADLP CC[C@@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001251771527 807704230 /nfs/dbraw/zinc/70/42/30/807704230.db2.gz VIKHVPKINBSVIB-BZUAXINKSA-N 2 2 292.427 0.945 20 0 CCADLP CC[C@@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001251771527 807704236 /nfs/dbraw/zinc/70/42/36/807704236.db2.gz VIKHVPKINBSVIB-BZUAXINKSA-N 2 2 292.427 0.945 20 0 CCADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](C[C@H](O)CO)C1 ZINC001252062908 807786676 /nfs/dbraw/zinc/78/66/76/807786676.db2.gz TXGGTRMBJNNUNK-NWDGAFQWSA-N 2 2 252.314 0.196 20 0 CCADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](C[C@H](O)CO)C1 ZINC001252062908 807786679 /nfs/dbraw/zinc/78/66/79/807786679.db2.gz TXGGTRMBJNNUNK-NWDGAFQWSA-N 2 2 252.314 0.196 20 0 CCADLP COC(=O)[C@H](O)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001252423464 807836796 /nfs/dbraw/zinc/83/67/96/807836796.db2.gz QPSBVWJHTMOXAI-GFCCVEGCSA-N 2 2 270.373 0.471 20 0 CCADLP COC(=O)[C@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001252436023 807851358 /nfs/dbraw/zinc/85/13/58/807851358.db2.gz FVTVKNDTDPRZAE-CYBMUJFWSA-N 2 2 275.308 0.496 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@@H](O)[C@H](F)CC1 ZINC001253181528 808021767 /nfs/dbraw/zinc/02/17/67/808021767.db2.gz WHEIHGLPJHTRMM-YNEHKIRRSA-N 2 2 262.369 0.484 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@@H](O)[C@H](F)CC1 ZINC001253181528 808021775 /nfs/dbraw/zinc/02/17/75/808021775.db2.gz WHEIHGLPJHTRMM-YNEHKIRRSA-N 2 2 262.369 0.484 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001253187649 808022925 /nfs/dbraw/zinc/02/29/25/808022925.db2.gz GQHLWKPDMPTUNU-KGLIPLIRSA-N 2 2 256.390 0.944 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@]2(CCO2)C1 ZINC001253187649 808022932 /nfs/dbraw/zinc/02/29/32/808022932.db2.gz GQHLWKPDMPTUNU-KGLIPLIRSA-N 2 2 256.390 0.944 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH+]1CCC(C)(C(=O)OC)CC1 ZINC001253188961 808023828 /nfs/dbraw/zinc/02/38/28/808023828.db2.gz CXXUKDZTHMMYDH-ZDUSSCGKSA-N 2 2 286.416 0.964 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@H](c2nc(C)no2)C1 ZINC001253188299 808024047 /nfs/dbraw/zinc/02/40/47/808024047.db2.gz VCFIZTNEGBBHMJ-STQMWFEESA-N 2 2 282.388 0.870 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@H](c2nc(C)no2)C1 ZINC001253188299 808024055 /nfs/dbraw/zinc/02/40/55/808024055.db2.gz VCFIZTNEGBBHMJ-STQMWFEESA-N 2 2 282.388 0.870 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+]Cc1c(CO)cnc(C)c1O ZINC001253207081 808030944 /nfs/dbraw/zinc/03/09/44/808030944.db2.gz YJBJJAFSBFGTMR-ZDUSSCGKSA-N 2 2 297.399 0.380 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]Cc1ccc[nH]c1=O ZINC001253407247 808061919 /nfs/dbraw/zinc/06/19/19/808061919.db2.gz IOTJPUYQYHPTMT-NSHDSACASA-N 2 2 253.346 0.626 20 0 CCADLP Cc1nnc2ccc(C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)cn12 ZINC001253411474 808063005 /nfs/dbraw/zinc/06/30/05/808063005.db2.gz OCZQHIDTODDAEO-ZDUSSCGKSA-N 2 2 291.399 0.876 20 0 CCADLP CC(C)(C)OC(=O)[C@H](O)C[NH2+]CCCn1cc[nH+]c1 ZINC001253667727 808104673 /nfs/dbraw/zinc/10/46/73/808104673.db2.gz RWHOXTOYOUPRJF-LLVKDONJSA-N 2 2 269.345 0.565 20 0 CCADLP CCOC(=O)CN1CC[NH+]([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254516226 808250091 /nfs/dbraw/zinc/25/00/91/808250091.db2.gz KSWHAUPAARHGKK-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP CCOC(=O)CN1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254516226 808250096 /nfs/dbraw/zinc/25/00/96/808250096.db2.gz KSWHAUPAARHGKK-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP O=C1OCCN1CC[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254840167 808285354 /nfs/dbraw/zinc/28/53/54/808285354.db2.gz CUACSSWKCRIHBM-LBPRGKRZSA-N 2 2 253.346 0.513 20 0 CCADLP CN(CC[NH+]1CCOCC1)[C@H]1CC2CC[NH+](CC2)C1 ZINC001254851491 808288910 /nfs/dbraw/zinc/28/89/10/808288910.db2.gz BRYIBLWXCUGUAO-HNNXBMFYSA-N 2 2 267.417 0.735 20 0 CCADLP CN(C[C@@H](O)C[NH2+]C/C=C/Cl)C(=O)Cc1[nH]cc[nH+]1 ZINC001278823724 808294214 /nfs/dbraw/zinc/29/42/14/808294214.db2.gz QFZLZLSTYDVSAE-PBKGFPTLSA-N 2 2 286.763 0.114 20 0 CCADLP CC[NH+](CC)CC[C@@H](C)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC001255962231 808441499 /nfs/dbraw/zinc/44/14/99/808441499.db2.gz SHTBLUGQYIPCBV-OAHLLOKOSA-N 2 2 298.475 0.813 20 0 CCADLP O=C(NCC[NH2+]C1CC[NH+](C2CC2)CC1)C(F)(F)F ZINC001256067033 808465688 /nfs/dbraw/zinc/46/56/88/808465688.db2.gz FXIGMASKFLHFNH-UHFFFAOYSA-N 2 2 279.306 0.881 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC001256321357 808493025 /nfs/dbraw/zinc/49/30/25/808493025.db2.gz JMEGQETUOMZYGJ-VXGBXAGGSA-N 2 2 255.362 0.047 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC001256321357 808493028 /nfs/dbraw/zinc/49/30/28/808493028.db2.gz JMEGQETUOMZYGJ-VXGBXAGGSA-N 2 2 255.362 0.047 20 0 CCADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC(=O)N2CCOCC2)C1 ZINC001256328408 808498526 /nfs/dbraw/zinc/49/85/26/808498526.db2.gz NNDNLJZFKIUMAK-GJZGRUSLSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H](C)CC(=O)N2CCOCC2)C1 ZINC001256328408 808498529 /nfs/dbraw/zinc/49/85/29/808498529.db2.gz NNDNLJZFKIUMAK-GJZGRUSLSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[NH+]1CCC(NC(=[NH2+])N2CC[NH+](C)CC2)CC1 ZINC001257208166 808596678 /nfs/dbraw/zinc/59/66/78/808596678.db2.gz TXJIGIJJFZYGFV-UHFFFAOYSA-N 3 2 267.421 0.631 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H](C[NH2+]CCO)C(C)(C)C ZINC001279027348 808625574 /nfs/dbraw/zinc/62/55/74/808625574.db2.gz AAICKIGHSHSBIT-ZDUSSCGKSA-N 2 2 296.415 0.466 20 0 CCADLP COCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001279031708 808626791 /nfs/dbraw/zinc/62/67/91/808626791.db2.gz RNKMUSPWPAIWLA-VXGBXAGGSA-N 2 2 280.372 0.425 20 0 CCADLP CC(C)C[NH2+]CC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC001261501877 809000639 /nfs/dbraw/zinc/00/06/39/809000639.db2.gz QVIHJDFEYLGIIE-GFCCVEGCSA-N 2 2 252.362 0.881 20 0 CCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001262009249 809149008 /nfs/dbraw/zinc/14/90/08/809149008.db2.gz PDPHLTCEQRMSQJ-VXGBXAGGSA-N 2 2 250.346 0.901 20 0 CCADLP CC1(C)CN(C(=O)NCCCn2cc[nH+]c2)C[C@@H]1[NH3+] ZINC001262559180 809342175 /nfs/dbraw/zinc/34/21/75/809342175.db2.gz CNOFSJSOYSKQLQ-NSHDSACASA-N 2 2 265.361 0.652 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC001263118915 809453049 /nfs/dbraw/zinc/45/30/49/809453049.db2.gz QSUIVLPQUBSREX-XQHKEYJVSA-N 2 2 262.357 0.715 20 0 CCADLP COc1cccc([C@@H](O)C[NH2+]CC2C[NH+](C)C2)c1 ZINC000379452504 809512972 /nfs/dbraw/zinc/51/29/72/809512972.db2.gz CEHSTNVVVNZCBZ-AWEZNQCLSA-N 2 2 250.342 0.880 20 0 CCADLP COCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001263875205 809595415 /nfs/dbraw/zinc/59/54/15/809595415.db2.gz JZTDIAGQSUNKDU-JHJVBQTASA-N 2 2 294.399 0.719 20 0 CCADLP COCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001263875205 809595421 /nfs/dbraw/zinc/59/54/21/809595421.db2.gz JZTDIAGQSUNKDU-JHJVBQTASA-N 2 2 294.399 0.719 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@@H+](C)C[C@@H](C)O ZINC001265061697 809702473 /nfs/dbraw/zinc/70/24/73/809702473.db2.gz ANIMCLLILXNERC-SNVBAGLBSA-N 2 2 268.361 0.080 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@H+](C)C[C@@H](C)O ZINC001265061697 809702477 /nfs/dbraw/zinc/70/24/77/809702477.db2.gz ANIMCLLILXNERC-SNVBAGLBSA-N 2 2 268.361 0.080 20 0 CCADLP C[C@@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001265496477 809791433 /nfs/dbraw/zinc/79/14/33/809791433.db2.gz WBECRTNOVYWAAQ-GMTAPVOTSA-N 2 2 268.336 0.937 20 0 CCADLP COC[C@H](C)[NH2+][C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001265829720 809867161 /nfs/dbraw/zinc/86/71/61/809867161.db2.gz GQMOZYGQXKJNBZ-ZJUUUORDSA-N 2 2 254.334 0.081 20 0 CCADLP CC[C@@H](C(=O)NCCC[N@H+](C)Cc1nonc1C)[NH+](C)C ZINC001265925273 809895673 /nfs/dbraw/zinc/89/56/73/809895673.db2.gz OJGNVQFPXNGSSV-ZDUSSCGKSA-N 2 2 297.403 0.656 20 0 CCADLP CC[C@@H](C(=O)NCCC[N@@H+](C)Cc1nonc1C)[NH+](C)C ZINC001265925273 809895678 /nfs/dbraw/zinc/89/56/78/809895678.db2.gz OJGNVQFPXNGSSV-ZDUSSCGKSA-N 2 2 297.403 0.656 20 0 CCADLP CNC(=O)[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702624938 809932257 /nfs/dbraw/zinc/93/22/57/809932257.db2.gz MFQGQINVLVYTLO-BBRMVZONSA-N 2 2 291.395 0.348 20 0 CCADLP CNC(=O)[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702624938 809932260 /nfs/dbraw/zinc/93/22/60/809932260.db2.gz MFQGQINVLVYTLO-BBRMVZONSA-N 2 2 291.395 0.348 20 0 CCADLP CO[C@@H]1CCOC[C@H]1[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000724897937 811114093 /nfs/dbraw/zinc/11/40/93/811114093.db2.gz XPEFHXICNQVUAT-LITXJTQSSA-N 2 2 252.358 0.376 20 0 CCADLP CC(C)Cc1nnc([C@H]([NH3+])CN2CCC([NH3+])CC2)o1 ZINC001217757740 811225814 /nfs/dbraw/zinc/22/58/14/811225814.db2.gz RZJJJLVPJFCAAV-LLVKDONJSA-N 2 2 267.377 0.691 20 0 CCADLP COCC[NH2+]CCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001267373245 811230728 /nfs/dbraw/zinc/23/07/28/811230728.db2.gz RGGJKJITFFBOIL-UHFFFAOYSA-N 2 2 290.367 0.951 20 0 CCADLP Cc1nc(NC[C@@H](C)N(C)C(=O)[C@@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001104571319 811501670 /nfs/dbraw/zinc/50/16/70/811501670.db2.gz CRZQONSIXWFCKW-DGCLKSJQSA-N 2 2 291.399 0.996 20 0 CCADLP Cc1nc(NC[C@@H](C)N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001104571319 811501674 /nfs/dbraw/zinc/50/16/74/811501674.db2.gz CRZQONSIXWFCKW-DGCLKSJQSA-N 2 2 291.399 0.996 20 0 CCADLP CC(C)OCCC[NH+]1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001267700697 811665372 /nfs/dbraw/zinc/66/53/72/811665372.db2.gz HBHPUCLTXGPIBM-UHFFFAOYSA-N 2 2 294.399 0.746 20 0 CCADLP C[N@H+](CCF)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001267709275 811669949 /nfs/dbraw/zinc/66/99/49/811669949.db2.gz VNOSIXYRLYDBKX-GFCCVEGCSA-N 2 2 268.336 0.633 20 0 CCADLP C[N@@H+](CCF)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001267709275 811669952 /nfs/dbraw/zinc/66/99/52/811669952.db2.gz VNOSIXYRLYDBKX-GFCCVEGCSA-N 2 2 268.336 0.633 20 0 CCADLP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001077209532 815462177 /nfs/dbraw/zinc/46/21/77/815462177.db2.gz MUJRQEOZVRTENH-CHWSQXEVSA-N 2 2 294.399 0.498 20 0 CCADLP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001077209532 815462181 /nfs/dbraw/zinc/46/21/81/815462181.db2.gz MUJRQEOZVRTENH-CHWSQXEVSA-N 2 2 294.399 0.498 20 0 CCADLP CC(C)C[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC001083290782 811697843 /nfs/dbraw/zinc/69/78/43/811697843.db2.gz VXZJNSNFGNKTCZ-UONOGXRCSA-N 2 2 292.383 0.451 20 0 CCADLP CC(C)C[N@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC001083290782 811697852 /nfs/dbraw/zinc/69/78/52/811697852.db2.gz VXZJNSNFGNKTCZ-UONOGXRCSA-N 2 2 292.383 0.451 20 0 CCADLP C[C@H]1CCCC[N@@H+]1CCCNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220062457 811713491 /nfs/dbraw/zinc/71/34/91/811713491.db2.gz ZGXWTJYLIODBHR-ZDUSSCGKSA-N 3 2 282.432 0.448 20 0 CCADLP C[C@H]1CCCC[N@H+]1CCCNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220062457 811713502 /nfs/dbraw/zinc/71/35/02/811713502.db2.gz ZGXWTJYLIODBHR-ZDUSSCGKSA-N 3 2 282.432 0.448 20 0 CCADLP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001077251821 815469924 /nfs/dbraw/zinc/46/99/24/815469924.db2.gz QJWRAUYOHYVSTO-IACUBPJLSA-N 2 2 292.383 0.017 20 0 CCADLP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001077251821 815469926 /nfs/dbraw/zinc/46/99/26/815469926.db2.gz QJWRAUYOHYVSTO-IACUBPJLSA-N 2 2 292.383 0.017 20 0 CCADLP Cc1nc(NC[C@@H](C)N(C)C(=O)CC[NH+](C)C)cc[nH+]1 ZINC001104802075 811726378 /nfs/dbraw/zinc/72/63/78/811726378.db2.gz FMJAYPVJGFEKDQ-LLVKDONJSA-N 2 2 279.388 0.996 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCO)C1 ZINC001104954977 811778172 /nfs/dbraw/zinc/77/81/72/811778172.db2.gz BVHZZOAACQFCLG-DGCLKSJQSA-N 2 2 294.399 0.327 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCN2CCOC2=O)[C@H]1C ZINC000692630376 811790000 /nfs/dbraw/zinc/79/00/00/811790000.db2.gz FFMAERORZHYSEM-GRYCIOLGSA-N 2 2 255.362 0.886 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCN2CCOC2=O)[C@H]1C ZINC000692630376 811790005 /nfs/dbraw/zinc/79/00/05/811790005.db2.gz FFMAERORZHYSEM-GRYCIOLGSA-N 2 2 255.362 0.886 20 0 CCADLP CC(C)[NH2+]C[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001268008891 811947566 /nfs/dbraw/zinc/94/75/66/811947566.db2.gz DCENHIKJWWKIDQ-LLVKDONJSA-N 2 2 252.362 0.713 20 0 CCADLP COCCCC[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149130111 812254307 /nfs/dbraw/zinc/25/43/07/812254307.db2.gz JYOQMFOQPWFNDY-UHFFFAOYSA-N 2 2 268.361 0.393 20 0 CCADLP CCOCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001268288762 812449347 /nfs/dbraw/zinc/44/93/47/812449347.db2.gz OMOQDUYAAQDPCL-TZMCWYRMSA-N 2 2 294.399 0.863 20 0 CCADLP COCCC[NH+]1CC(NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001268475176 812632721 /nfs/dbraw/zinc/63/27/21/812632721.db2.gz YHVPWJWYXCRYLA-ZDUSSCGKSA-N 2 2 271.405 0.410 20 0 CCADLP C[NH+](C)Cc1ccc(-c2noc([C@H]3C[NH2+]C[C@@H]3[NH3+])n2)cc1 ZINC001211755353 812670283 /nfs/dbraw/zinc/67/02/83/812670283.db2.gz IXWKXBWPCVQIPU-STQMWFEESA-N 3 2 287.367 0.812 20 0 CCADLP CC(C)[NH2+]C[C@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001268693717 813016270 /nfs/dbraw/zinc/01/62/70/813016270.db2.gz LMSLWVOQDRDKNZ-RYUDHWBXSA-N 2 2 264.373 0.948 20 0 CCADLP CC(C)C[NH+]1CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001268858243 813117558 /nfs/dbraw/zinc/11/75/58/813117558.db2.gz HIWXYBMYBOYCOE-UHFFFAOYSA-N 2 2 264.373 0.977 20 0 CCADLP CN(CCC[NH2+]Cc1ncccn1)C(=O)Cc1c[nH+]c[nH]1 ZINC001268860896 813119696 /nfs/dbraw/zinc/11/96/96/813119696.db2.gz LITWUEMOFFDKTF-UHFFFAOYSA-N 2 2 288.355 0.381 20 0 CCADLP CN(CCC[NH2+]Cc1cnns1)C(=O)Cc1c[nH+]c[nH]1 ZINC001268861302 813119759 /nfs/dbraw/zinc/11/97/59/813119759.db2.gz SBWIMRWKWSIVGG-UHFFFAOYSA-N 2 2 294.384 0.442 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCCO ZINC001038409166 813553254 /nfs/dbraw/zinc/55/32/54/813553254.db2.gz NJDXBYTZJLFHJC-CHWSQXEVSA-N 2 2 269.389 0.044 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCCO ZINC001038409166 813553257 /nfs/dbraw/zinc/55/32/57/813553257.db2.gz NJDXBYTZJLFHJC-CHWSQXEVSA-N 2 2 269.389 0.044 20 0 CCADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCCO ZINC001038409166 813553261 /nfs/dbraw/zinc/55/32/61/813553261.db2.gz NJDXBYTZJLFHJC-CHWSQXEVSA-N 2 2 269.389 0.044 20 0 CCADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCCO ZINC001038409166 813553264 /nfs/dbraw/zinc/55/32/64/813553264.db2.gz NJDXBYTZJLFHJC-CHWSQXEVSA-N 2 2 269.389 0.044 20 0 CCADLP COCCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001269971654 813570961 /nfs/dbraw/zinc/57/09/61/813570961.db2.gz IVNVUVVWYKSSMO-CHWSQXEVSA-N 2 2 294.399 0.958 20 0 CCADLP C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CO)n1cc[nH+]c1)C2 ZINC001270399760 813749138 /nfs/dbraw/zinc/74/91/38/813749138.db2.gz UMTOFRYTMXKJEO-HIFRSBDPSA-N 2 2 292.383 0.361 20 0 CCADLP C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CO)n1cc[nH+]c1)C2 ZINC001270399760 813749143 /nfs/dbraw/zinc/74/91/43/813749143.db2.gz UMTOFRYTMXKJEO-HIFRSBDPSA-N 2 2 292.383 0.361 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C[NH2+]CCO)C1CCCC1 ZINC001270450283 813768066 /nfs/dbraw/zinc/76/80/66/813768066.db2.gz TUXIACJIHRVHAK-CQSZACIVSA-N 2 2 294.399 0.518 20 0 CCADLP CC[C@@H](C(=O)N[C@]1(C)CC[N@H+](CCF)C1)[NH+](C)C ZINC001270648907 813871131 /nfs/dbraw/zinc/87/11/31/813871131.db2.gz KEENDHUOEFHSER-WCQYABFASA-N 2 2 259.369 0.877 20 0 CCADLP CC[C@@H](C(=O)N[C@]1(C)CC[N@@H+](CCF)C1)[NH+](C)C ZINC001270648907 813871139 /nfs/dbraw/zinc/87/11/39/813871139.db2.gz KEENDHUOEFHSER-WCQYABFASA-N 2 2 259.369 0.877 20 0 CCADLP c1cn(CCCNc2nccnc2N2CC[NH2+]CC2)c[nH+]1 ZINC001161681380 813985936 /nfs/dbraw/zinc/98/59/36/813985936.db2.gz VHJGOLBEMPNLQV-UHFFFAOYSA-N 2 2 287.371 0.585 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCF ZINC001029473441 814293649 /nfs/dbraw/zinc/29/36/49/814293649.db2.gz MOMFXDBJXWZCLH-FQUUOJAGSA-N 2 2 283.391 0.829 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCF ZINC001029473441 814293658 /nfs/dbraw/zinc/29/36/58/814293658.db2.gz MOMFXDBJXWZCLH-FQUUOJAGSA-N 2 2 283.391 0.829 20 0 CCADLP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001029473441 814293667 /nfs/dbraw/zinc/29/36/67/814293667.db2.gz MOMFXDBJXWZCLH-FQUUOJAGSA-N 2 2 283.391 0.829 20 0 CCADLP C[C@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001029473441 814293676 /nfs/dbraw/zinc/29/36/76/814293676.db2.gz MOMFXDBJXWZCLH-FQUUOJAGSA-N 2 2 283.391 0.829 20 0 CCADLP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CN(Cc2c[nH+]cn2C)C1 ZINC001042546225 814417099 /nfs/dbraw/zinc/41/70/99/814417099.db2.gz UOFLYORZWYJUIV-CQSZACIVSA-N 2 2 291.399 0.157 20 0 CCADLP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CN(Cc2c[nH+]cn2C)C1 ZINC001042546225 814417103 /nfs/dbraw/zinc/41/71/03/814417103.db2.gz UOFLYORZWYJUIV-CQSZACIVSA-N 2 2 291.399 0.157 20 0 CCADLP CC(C)[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]C[C@H](C)O ZINC001271902108 814626154 /nfs/dbraw/zinc/62/61/54/814626154.db2.gz PSIBLDNPMGOOGZ-CMPLNLGQSA-N 2 2 268.361 0.063 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCCCC[C@H]([NH2+]CCO)C1 ZINC001088405476 814674812 /nfs/dbraw/zinc/67/48/12/814674812.db2.gz YYMWTBZOZOOBIO-LBPRGKRZSA-N 2 2 280.372 0.305 20 0 CCADLP C[C@H](O)C[NH2+][C@@H]1CCCCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001088433861 814685934 /nfs/dbraw/zinc/68/59/34/814685934.db2.gz HZPWQZGECXDMCN-UONOGXRCSA-N 2 2 294.399 0.625 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030297105 815964473 /nfs/dbraw/zinc/96/44/73/815964473.db2.gz FPIZBXZPXWDEDX-ZDUSSCGKSA-N 2 2 269.389 0.042 20 0 CCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030297105 815964478 /nfs/dbraw/zinc/96/44/78/815964478.db2.gz FPIZBXZPXWDEDX-ZDUSSCGKSA-N 2 2 269.389 0.042 20 0 CCADLP COCC[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001030432954 816037765 /nfs/dbraw/zinc/03/77/65/816037765.db2.gz SUYILWWDHDFRET-CYBMUJFWSA-N 2 2 283.416 0.411 20 0 CCADLP COCC[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001030432954 816037773 /nfs/dbraw/zinc/03/77/73/816037773.db2.gz SUYILWWDHDFRET-CYBMUJFWSA-N 2 2 283.416 0.411 20 0 CCADLP CC[C@@H](C[NH+]1CC(NC(=O)[C@H]2CCCC[N@@H+]2C)C1)OC ZINC001030532819 816089768 /nfs/dbraw/zinc/08/97/68/816089768.db2.gz WTNNCYFWVFDXCX-UONOGXRCSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@@H](C[NH+]1CC(NC(=O)[C@H]2CCCC[N@H+]2C)C1)OC ZINC001030532819 816089771 /nfs/dbraw/zinc/08/97/71/816089771.db2.gz WTNNCYFWVFDXCX-UONOGXRCSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@](O)(C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C(F)(F)F ZINC000698571558 816136640 /nfs/dbraw/zinc/13/66/40/816136640.db2.gz VGMVRDRGIJKBQU-UDLFHZNPSA-N 2 2 264.291 0.886 20 0 CCADLP CC[C@@H](C)C[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001030839386 816334432 /nfs/dbraw/zinc/33/44/32/816334432.db2.gz KGDBYDKWRADFHO-HIFRSBDPSA-N 2 2 297.443 0.942 20 0 CCADLP CC[C@@H](C)C[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001030839386 816334437 /nfs/dbraw/zinc/33/44/37/816334437.db2.gz KGDBYDKWRADFHO-HIFRSBDPSA-N 2 2 297.443 0.942 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H](CC[NH2+]CCO)C1 ZINC001272457241 816446713 /nfs/dbraw/zinc/44/67/13/816446713.db2.gz PILBXHPFHGSUER-LBPRGKRZSA-N 2 2 280.372 0.163 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H](CC[NH2+]CCO)C1 ZINC001272457241 816446714 /nfs/dbraw/zinc/44/67/14/816446714.db2.gz PILBXHPFHGSUER-LBPRGKRZSA-N 2 2 280.372 0.163 20 0 CCADLP CC[C@H](C[NH+]1CC(NC(=O)C[N@@H+]2CCC[C@@H]2C)C1)OC ZINC001030956293 816499231 /nfs/dbraw/zinc/49/92/31/816499231.db2.gz XNRCJYSGELUKKZ-GXTWGEPZSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@H](C[NH+]1CC(NC(=O)C[N@H+]2CCC[C@@H]2C)C1)OC ZINC001030956293 816499237 /nfs/dbraw/zinc/49/92/37/816499237.db2.gz XNRCJYSGELUKKZ-GXTWGEPZSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCCF ZINC001106705176 816859986 /nfs/dbraw/zinc/85/99/86/816859986.db2.gz VDNKLVFOJYFVGF-VXGBXAGGSA-N 2 2 282.363 0.996 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001106800519 816920918 /nfs/dbraw/zinc/92/09/18/816920918.db2.gz AAECRRZBTTWEMF-JHJVBQTASA-N 2 2 294.399 0.671 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC1C[NH+](C[C@@H]2CCCOC2)C1 ZINC001031313414 816962797 /nfs/dbraw/zinc/96/27/97/816962797.db2.gz MFOOMQWOMBFZDB-LBPRGKRZSA-N 2 2 292.383 0.488 20 0 CCADLP C[NH+](C)CC(C)(C)C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235993795 816980532 /nfs/dbraw/zinc/98/05/32/816980532.db2.gz QKQDYIGGIGPQJE-FUNVUKJBSA-N 3 2 255.406 0.480 20 0 CCADLP C[NH+](C)CC(C)(C)C[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235993795 816980537 /nfs/dbraw/zinc/98/05/37/816980537.db2.gz QKQDYIGGIGPQJE-FUNVUKJBSA-N 3 2 255.406 0.480 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC1C[NH+](C[C@@H]2CCCCO2)C1 ZINC001031392170 817025560 /nfs/dbraw/zinc/02/55/60/817025560.db2.gz ZBBODHZIEQPZNS-AWEZNQCLSA-N 2 2 292.383 0.561 20 0 CCADLP COCC[NH+]1CC(NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001031437831 817055027 /nfs/dbraw/zinc/05/50/27/817055027.db2.gz NCEZSRKDIJHVCG-UHFFFAOYSA-N 2 2 291.395 0.809 20 0 CCADLP CC1(C)C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@H+](CCO)C1 ZINC001089528692 817179916 /nfs/dbraw/zinc/17/99/16/817179916.db2.gz MKQNDNBWFZYHFT-LBPRGKRZSA-N 2 2 294.399 0.551 20 0 CCADLP CC1(C)C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@@H+](CCO)C1 ZINC001089528692 817179919 /nfs/dbraw/zinc/17/99/19/817179919.db2.gz MKQNDNBWFZYHFT-LBPRGKRZSA-N 2 2 294.399 0.551 20 0 CCADLP O=C(NCC1C[NH+](CC2CC2)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001031776202 817356109 /nfs/dbraw/zinc/35/61/09/817356109.db2.gz QLVUVRWINPKULJ-CQSZACIVSA-N 2 2 288.395 0.904 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2cnon2)CC[N@@H+]1C ZINC001127701810 817468754 /nfs/dbraw/zinc/46/87/54/817468754.db2.gz YEHKCSHLPCCOQU-NWDGAFQWSA-N 2 2 281.360 0.006 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2cnon2)CC[N@H+]1C ZINC001127701810 817468758 /nfs/dbraw/zinc/46/87/58/817468758.db2.gz YEHKCSHLPCCOQU-NWDGAFQWSA-N 2 2 281.360 0.006 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1coc(C2CC2)n1 ZINC001124879616 817611062 /nfs/dbraw/zinc/61/10/62/817611062.db2.gz XNBSWWKHUGJKAX-CYBMUJFWSA-N 2 2 292.383 0.852 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1coc(C2CC2)n1 ZINC001124879616 817611065 /nfs/dbraw/zinc/61/10/65/817611065.db2.gz XNBSWWKHUGJKAX-CYBMUJFWSA-N 2 2 292.383 0.852 20 0 CCADLP C[C@H]1C[N@H+](CCCO)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943767543 817637574 /nfs/dbraw/zinc/63/75/74/817637574.db2.gz XJMCGEDIQMYVMJ-NWDGAFQWSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@H]1C[N@@H+](CCCO)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943767543 817637575 /nfs/dbraw/zinc/63/75/75/817637575.db2.gz XJMCGEDIQMYVMJ-NWDGAFQWSA-N 2 2 280.372 0.161 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3cncs3)C2)C1 ZINC001032186088 817682703 /nfs/dbraw/zinc/68/27/03/817682703.db2.gz IEALMFZEANLORF-GFCCVEGCSA-N 2 2 294.424 0.643 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3cncs3)C2)C1 ZINC001032186088 817682709 /nfs/dbraw/zinc/68/27/09/817682709.db2.gz IEALMFZEANLORF-GFCCVEGCSA-N 2 2 294.424 0.643 20 0 CCADLP CCOCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001107078926 817716492 /nfs/dbraw/zinc/71/64/92/817716492.db2.gz OTYTYCYTSLKYNM-ZIAGYGMSSA-N 2 2 294.399 0.604 20 0 CCADLP COC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001107079341 817717245 /nfs/dbraw/zinc/71/72/45/817717245.db2.gz YQDCEOMEIUPASP-HZSPNIEDSA-N 2 2 294.399 0.602 20 0 CCADLP CC(C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001032331723 817888040 /nfs/dbraw/zinc/88/80/40/817888040.db2.gz IKSWKQWIPNPMGQ-RWMBFGLXSA-N 2 2 267.373 0.011 20 0 CCADLP CC(C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001032331723 817888045 /nfs/dbraw/zinc/88/80/45/817888045.db2.gz IKSWKQWIPNPMGQ-RWMBFGLXSA-N 2 2 267.373 0.011 20 0 CCADLP CC(C)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001032331723 817888054 /nfs/dbraw/zinc/88/80/54/817888054.db2.gz IKSWKQWIPNPMGQ-RWMBFGLXSA-N 2 2 267.373 0.011 20 0 CCADLP CC(C)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001032331723 817888061 /nfs/dbraw/zinc/88/80/61/817888061.db2.gz IKSWKQWIPNPMGQ-RWMBFGLXSA-N 2 2 267.373 0.011 20 0 CCADLP CC[C@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1)OC ZINC001032814979 818040227 /nfs/dbraw/zinc/04/02/27/818040227.db2.gz SWBLZSSXVHUBHZ-MELADBBJSA-N 2 2 292.383 0.593 20 0 CCADLP CC[C@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1)OC ZINC001032814979 818040232 /nfs/dbraw/zinc/04/02/32/818040232.db2.gz SWBLZSSXVHUBHZ-MELADBBJSA-N 2 2 292.383 0.593 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ncnc3c2COCC3)CC1 ZINC001168735446 818536052 /nfs/dbraw/zinc/53/60/52/818536052.db2.gz PLSDOVGNWFNPTF-UHFFFAOYSA-N 2 2 276.344 0.143 20 0 CCADLP CC(C)Oc1cc(NC(=[NH2+])N2CC[NH+](C)CC2)ncn1 ZINC001168736772 818551605 /nfs/dbraw/zinc/55/16/05/818551605.db2.gz PZKYSXJWSMVKNZ-UHFFFAOYSA-N 2 2 278.360 0.858 20 0 CCADLP COc1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)c(C(N)=O)c1 ZINC001168740411 818602439 /nfs/dbraw/zinc/60/24/39/818602439.db2.gz IKGMOWQYLBQRHU-UHFFFAOYSA-N 2 2 291.355 0.388 20 0 CCADLP CCC[N@H+](C)CC(=O)NCc1cnn2c1C[NH+](CC)CC2 ZINC001128560568 818640943 /nfs/dbraw/zinc/64/09/43/818640943.db2.gz QNINRXFOUQUPSA-UHFFFAOYSA-N 2 2 293.415 0.677 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCc1cnn2c1C[NH+](CC)CC2 ZINC001128560568 818640949 /nfs/dbraw/zinc/64/09/49/818640949.db2.gz QNINRXFOUQUPSA-UHFFFAOYSA-N 2 2 293.415 0.677 20 0 CCADLP CCC[NH+](C)CC(=O)NCc1cnn2c1C[N@H+](CC)CC2 ZINC001128560568 818640954 /nfs/dbraw/zinc/64/09/54/818640954.db2.gz QNINRXFOUQUPSA-UHFFFAOYSA-N 2 2 293.415 0.677 20 0 CCADLP CCC[NH+](C)CC(=O)NCc1cnn2c1C[N@@H+](CC)CC2 ZINC001128560568 818640959 /nfs/dbraw/zinc/64/09/59/818640959.db2.gz QNINRXFOUQUPSA-UHFFFAOYSA-N 2 2 293.415 0.677 20 0 CCADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001033202838 818648130 /nfs/dbraw/zinc/64/81/30/818648130.db2.gz NZASXHJICDGIDX-GXTWGEPZSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001033202838 818648134 /nfs/dbraw/zinc/64/81/34/818648134.db2.gz NZASXHJICDGIDX-GXTWGEPZSA-N 2 2 276.384 0.998 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001033621396 818855216 /nfs/dbraw/zinc/85/52/16/818855216.db2.gz VCVULWZDNLZQBQ-ZYHUDNBSSA-N 2 2 280.372 0.174 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001033621396 818855220 /nfs/dbraw/zinc/85/52/20/818855220.db2.gz VCVULWZDNLZQBQ-ZYHUDNBSSA-N 2 2 280.372 0.174 20 0 CCADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC001033704414 818891846 /nfs/dbraw/zinc/89/18/46/818891846.db2.gz UWNCZBDBFAQFQE-ZIAGYGMSSA-N 2 2 292.383 0.452 20 0 CCADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001033704414 818891852 /nfs/dbraw/zinc/89/18/52/818891852.db2.gz UWNCZBDBFAQFQE-ZIAGYGMSSA-N 2 2 292.383 0.452 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1csnn1 ZINC001128773783 818986307 /nfs/dbraw/zinc/98/63/07/818986307.db2.gz DTYLGKYASIQEIH-GFCCVEGCSA-N 2 2 297.428 0.618 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1csnn1 ZINC001128773783 818986312 /nfs/dbraw/zinc/98/63/12/818986312.db2.gz DTYLGKYASIQEIH-GFCCVEGCSA-N 2 2 297.428 0.618 20 0 CCADLP C[NH+](C)C[C@H](N)C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000702431476 819128665 /nfs/dbraw/zinc/12/86/65/819128665.db2.gz TZNDNKRLEZYLQW-ZDUSSCGKSA-N 2 2 296.440 0.281 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+]CCC[C@H]1CCOC1 ZINC001128967467 819237139 /nfs/dbraw/zinc/23/71/39/819237139.db2.gz RMSXYZQNLCIIEZ-ZDUSSCGKSA-N 2 2 294.399 0.865 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC[NH2+]CCC[C@H]1CCOC1 ZINC001128967467 819237144 /nfs/dbraw/zinc/23/71/44/819237144.db2.gz RMSXYZQNLCIIEZ-ZDUSSCGKSA-N 2 2 294.399 0.865 20 0 CCADLP CC[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001035103124 819393623 /nfs/dbraw/zinc/39/36/23/819393623.db2.gz YCGKSTPJWSIHQU-LLVKDONJSA-N 2 2 250.346 0.563 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@H]1[NH2+]CCO ZINC001036115208 819689667 /nfs/dbraw/zinc/68/96/67/819689667.db2.gz LGQNBGZNXRFSJO-CHWSQXEVSA-N 2 2 294.399 0.172 20 0 CCADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1[NH2+]CCF ZINC001036312960 819723927 /nfs/dbraw/zinc/72/39/27/819723927.db2.gz HYHXFLAAGFUPLO-NWDGAFQWSA-N 2 2 268.336 0.679 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1[NH2+]CCF ZINC001082572310 820997873 /nfs/dbraw/zinc/99/78/73/820997873.db2.gz XCEZFFRYUHYCMK-PRULPYPASA-N 2 2 280.347 0.919 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CC[C@@H](C)F)C[C@@H]1O ZINC001083997736 821172136 /nfs/dbraw/zinc/17/21/36/821172136.db2.gz KQNIXXMFFQFYGZ-WQAKAFBOSA-N 2 2 298.362 0.170 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CC[C@@H](C)F)C[C@@H]1O ZINC001083997736 821172141 /nfs/dbraw/zinc/17/21/41/821172141.db2.gz KQNIXXMFFQFYGZ-WQAKAFBOSA-N 2 2 298.362 0.170 20 0 CCADLP C[N@H+](CC(=O)N1C[C@H]2CC[NH+](CCF)C[C@H]21)C1CCC1 ZINC001084409829 821289743 /nfs/dbraw/zinc/28/97/43/821289743.db2.gz KGPJUXSHBAZQIQ-TZMCWYRMSA-N 2 2 283.391 0.973 20 0 CCADLP C[N@@H+](CC(=O)N1C[C@H]2CC[NH+](CCF)C[C@H]21)C1CCC1 ZINC001084409829 821289747 /nfs/dbraw/zinc/28/97/47/821289747.db2.gz KGPJUXSHBAZQIQ-TZMCWYRMSA-N 2 2 283.391 0.973 20 0 CCADLP C[NH+](CC(=O)N1C[C@H]2CC[N@H+](CCF)C[C@H]21)C1CCC1 ZINC001084409829 821289754 /nfs/dbraw/zinc/28/97/54/821289754.db2.gz KGPJUXSHBAZQIQ-TZMCWYRMSA-N 2 2 283.391 0.973 20 0 CCADLP C[NH+](CC(=O)N1C[C@H]2CC[N@@H+](CCF)C[C@H]21)C1CCC1 ZINC001084409829 821289763 /nfs/dbraw/zinc/28/97/63/821289763.db2.gz KGPJUXSHBAZQIQ-TZMCWYRMSA-N 2 2 283.391 0.973 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001085682480 821897830 /nfs/dbraw/zinc/89/78/30/821897830.db2.gz VAEFCUHMRRYGTE-TZMCWYRMSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001085682480 821897837 /nfs/dbraw/zinc/89/78/37/821897837.db2.gz VAEFCUHMRRYGTE-TZMCWYRMSA-N 2 2 276.384 0.998 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]CCNC(=O)[C@H](C2CC2)[NH+](C)C)n1 ZINC001129455369 837508489 /nfs/dbraw/zinc/50/84/89/837508489.db2.gz VDZLLECDCUCNHA-SKDRFNHKSA-N 2 2 295.387 0.485 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)C[N@H+](C)C2CCC2)o1 ZINC001129535417 837529209 /nfs/dbraw/zinc/52/92/09/837529209.db2.gz QEPMGQGVDKOXSV-JTQLQIEISA-N 2 2 295.387 0.629 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)C[N@@H+](C)C2CCC2)o1 ZINC001129535417 837529213 /nfs/dbraw/zinc/52/92/13/837529213.db2.gz QEPMGQGVDKOXSV-JTQLQIEISA-N 2 2 295.387 0.629 20 0 CCADLP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]Cc1nncs1 ZINC001129842323 837565962 /nfs/dbraw/zinc/56/59/62/837565962.db2.gz WHIRYLOIXDFVER-NSHDSACASA-N 2 2 297.428 0.618 20 0 CCADLP C[N@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]Cc1nncs1 ZINC001129842323 837565969 /nfs/dbraw/zinc/56/59/69/837565969.db2.gz WHIRYLOIXDFVER-NSHDSACASA-N 2 2 297.428 0.618 20 0 CCADLP O=C(NCC[NH2+]CC[C@H]1CCOC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129891634 837575552 /nfs/dbraw/zinc/57/55/52/837575552.db2.gz PUTRODRMGRTMKB-YNEHKIRRSA-N 2 2 292.383 0.646 20 0 CCADLP O=C(NCC[NH2+]CC[C@H]1CCOC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129891634 837575562 /nfs/dbraw/zinc/57/55/62/837575562.db2.gz PUTRODRMGRTMKB-YNEHKIRRSA-N 2 2 292.383 0.646 20 0 CCADLP CC[C@H](C(=O)NCC[NH2+]Cc1ccon1)[NH+](C)C ZINC001130198186 837723204 /nfs/dbraw/zinc/72/32/04/837723204.db2.gz ZAZQOQQPLSBWIA-LLVKDONJSA-N 2 2 254.334 0.221 20 0 CCADLP CO[C@H](C)C[NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001130265972 837744990 /nfs/dbraw/zinc/74/49/90/837744990.db2.gz GNYZUOARBGSZKQ-SNVBAGLBSA-N 2 2 276.340 0.917 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1nncs1 ZINC001130300737 837759117 /nfs/dbraw/zinc/75/91/17/837759117.db2.gz VOLCIGHTRZHNGN-SNVBAGLBSA-N 2 2 283.401 0.228 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1nncs1 ZINC001130300737 837759122 /nfs/dbraw/zinc/75/91/22/837759122.db2.gz VOLCIGHTRZHNGN-SNVBAGLBSA-N 2 2 283.401 0.228 20 0 CCADLP O=C(NCC[NH2+]CCCF)[C@H]1CCn2c[nH+]cc2C1 ZINC001130405163 837785828 /nfs/dbraw/zinc/78/58/28/837785828.db2.gz YKXQNXVVONOPGN-NSHDSACASA-N 2 2 268.336 0.511 20 0 CCADLP C[C@]1(CF)CC(F)(F)CN1C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001157952100 837786721 /nfs/dbraw/zinc/78/67/21/837786721.db2.gz MIBIDHXROHCBSY-MWLCHTKSSA-N 2 2 290.289 0.875 20 0 CCADLP CO[C@H](C)C[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130481559 837806228 /nfs/dbraw/zinc/80/62/28/837806228.db2.gz WFRZIZOWXOZVID-VXGBXAGGSA-N 2 2 280.372 0.186 20 0 CCADLP CCO/C=C\c1nccnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169072378 836124960 /nfs/dbraw/zinc/12/49/60/836124960.db2.gz RIOBDXPSUJJLAE-ZTYXWKCZSA-N 2 2 289.339 0.532 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc(-c2cccnc2)ncn1 ZINC001169073047 836125112 /nfs/dbraw/zinc/12/51/12/836125112.db2.gz YQBILNVGKABASY-GFCCVEGCSA-N 2 2 296.334 0.586 20 0 CCADLP Cc1cc2ncccc2nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169072307 836125600 /nfs/dbraw/zinc/12/56/00/836125600.db2.gz MDPKKFBWSIYJIG-LLVKDONJSA-N 2 2 283.335 0.986 20 0 CCADLP CC(=O)Nc1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cc1F ZINC001169071381 836125877 /nfs/dbraw/zinc/12/58/77/836125877.db2.gz AQNJXXGDUBIJHR-SNVBAGLBSA-N 2 2 292.314 0.832 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cccc2c1CC[C@H]2[NH3+] ZINC001169073820 836127242 /nfs/dbraw/zinc/12/72/42/836127242.db2.gz DTCDNXYJNGZKAG-QMTHXVAHSA-N 3 2 272.352 0.680 20 0 CCADLP C[C@H]([NH3+])c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cc1 ZINC001169073771 836127572 /nfs/dbraw/zinc/12/75/72/836127572.db2.gz KVIHYXMXVIXYRC-CMPLNLGQSA-N 3 2 260.341 0.754 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2[nH]cnc2c1 ZINC001169074757 836128659 /nfs/dbraw/zinc/12/86/59/836128659.db2.gz MYRUUJSGHUIFAC-SECBINFHSA-N 2 2 257.297 0.611 20 0 CCADLP COc1ncnc(Cl)c1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169074795 836129044 /nfs/dbraw/zinc/12/90/44/836129044.db2.gz OIERYQQCVLKXKM-SSDOTTSWSA-N 2 2 283.719 0.186 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Nc2cnc3c(c2)C[NH2+]CC3)C[NH2+]1 ZINC001169132528 836148439 /nfs/dbraw/zinc/14/84/39/836148439.db2.gz PHVFMEZGFPJVGP-YPMHNXCESA-N 2 2 276.340 0.043 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]CC1CCOCC1 ZINC001169211612 836160011 /nfs/dbraw/zinc/16/00/11/836160011.db2.gz IBZHKMCJPRNKRF-UHFFFAOYSA-N 2 2 280.372 0.475 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]C[C@H]1C[C@]12CCOC2 ZINC001169211324 836160248 /nfs/dbraw/zinc/16/02/48/836160248.db2.gz DTGOBHURYBAGEZ-DOMZBBRYSA-N 2 2 292.383 0.475 20 0 CCADLP CCOC(=O)[C@H]1CC[C@H]([NH2+]CC2C[NH+](C)C2)CO1 ZINC001169338352 836231053 /nfs/dbraw/zinc/23/10/53/836231053.db2.gz HFNUEVOPVSAQEW-NWDGAFQWSA-N 2 2 256.346 0.248 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCc2[nH+]ccn2C)CO1 ZINC001169369535 836241119 /nfs/dbraw/zinc/24/11/19/836241119.db2.gz ZFDHUOMCIVGVIJ-RYUDHWBXSA-N 2 2 281.356 0.663 20 0 CCADLP CCN(CC)C(=O)C[C@@H](C)[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC001169436752 836287744 /nfs/dbraw/zinc/28/77/44/836287744.db2.gz FNDYZFFQYVHRAI-NEPJUHHUSA-N 2 2 257.378 0.293 20 0 CCADLP CCN(CC)C(=O)C[C@@H](C)[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC001169436752 836287750 /nfs/dbraw/zinc/28/77/50/836287750.db2.gz FNDYZFFQYVHRAI-NEPJUHHUSA-N 2 2 257.378 0.293 20 0 CCADLP CC(=O)N1CC[C@@H](n2c(C)[nH+]c3c2CC[NH2+]CC3)C1 ZINC001169536255 836333084 /nfs/dbraw/zinc/33/30/84/836333084.db2.gz CQYFDESZCQIXMK-GFCCVEGCSA-N 2 2 262.357 0.673 20 0 CCADLP CC(=O)N1CCC[C@H]([NH2+]C2(CO)CC[NH+](C)CC2)C1 ZINC001169595926 836369652 /nfs/dbraw/zinc/36/96/52/836369652.db2.gz AMNQKHQVQZVEBI-ZDUSSCGKSA-N 2 2 269.389 0.044 20 0 CCADLP C[N@@H+]1CC[C@H](C[NH2+]C2CCC(S(C)(=O)=O)CC2)C1 ZINC001169851177 836461921 /nfs/dbraw/zinc/46/19/21/836461921.db2.gz ABCOVCLDMYADNR-PNESKVBLSA-N 2 2 274.430 0.884 20 0 CCADLP C[N@H+]1CC[C@H](C[NH2+]C2CCC(S(C)(=O)=O)CC2)C1 ZINC001169851177 836461925 /nfs/dbraw/zinc/46/19/25/836461925.db2.gz ABCOVCLDMYADNR-PNESKVBLSA-N 2 2 274.430 0.884 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)C2([NH+](C)C)CCC2)o1 ZINC001129351593 836490916 /nfs/dbraw/zinc/49/09/16/836490916.db2.gz LJWFSSKOVDLZQT-UHFFFAOYSA-N 2 2 294.399 0.927 20 0 CCADLP CNC(=O)[C@H](C)Nc1[nH+]cccc1N1CC[NH2+]CC1 ZINC001169980032 836623851 /nfs/dbraw/zinc/62/38/51/836623851.db2.gz WHSLIJYHBVERFT-JTQLQIEISA-N 2 2 263.345 0.038 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)[C@@H](O)C1 ZINC001090427214 836692246 /nfs/dbraw/zinc/69/22/46/836692246.db2.gz INFZHALGDBQWRA-YPMHNXCESA-N 2 2 288.351 0.519 20 0 CCADLP COCCCC[NH+]1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001113538541 837152032 /nfs/dbraw/zinc/15/20/32/837152032.db2.gz UDRYNMQMQARPFM-UHFFFAOYSA-N 2 2 294.399 0.533 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[NH+](CCC[C@@H](C)O)CC1 ZINC001113582057 837171162 /nfs/dbraw/zinc/17/11/62/837171162.db2.gz XALYWZZDWXDCMY-GFCCVEGCSA-N 2 2 294.399 0.566 20 0 CCADLP CCCCOCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001113631729 837185219 /nfs/dbraw/zinc/18/52/19/837185219.db2.gz IKWNMARZSWTGSQ-OAHLLOKOSA-N 2 2 297.443 0.899 20 0 CCADLP CCCCOCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001113631729 837185222 /nfs/dbraw/zinc/18/52/22/837185222.db2.gz IKWNMARZSWTGSQ-OAHLLOKOSA-N 2 2 297.443 0.899 20 0 CCADLP CCOC(=O)C1=C(Nc2cc3c(nn2)C[NH2+]C3)CC[NH2+]C1 ZINC001170514046 837926637 /nfs/dbraw/zinc/92/66/37/837926637.db2.gz OGNWFVNTKDSFPO-UHFFFAOYSA-N 2 2 289.339 0.302 20 0 CCADLP CCOC(=O)C1C[NH2+]CCC1=Nc1cc2c(nn1)C[NH2+]C2 ZINC001170514046 837926640 /nfs/dbraw/zinc/92/66/40/837926640.db2.gz OGNWFVNTKDSFPO-UHFFFAOYSA-N 2 2 289.339 0.302 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)Cn2c[nH+]cc2C)s1 ZINC001131380152 838073719 /nfs/dbraw/zinc/07/37/19/838073719.db2.gz DPKLKDRXVWZBCI-UHFFFAOYSA-N 2 2 293.396 0.862 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)Cn2c[nH+]cc2C)o1 ZINC001131377172 838074716 /nfs/dbraw/zinc/07/47/16/838074716.db2.gz KFBGHGSPFINVEC-UHFFFAOYSA-N 2 2 277.328 0.394 20 0 CCADLP Cc1cnc([C@@H](C)[NH2+]CCNC(=O)Cn2c[nH+]cc2C)o1 ZINC001131380145 838074813 /nfs/dbraw/zinc/07/48/13/838074813.db2.gz DIFZGOCHHLTZIU-GFCCVEGCSA-N 2 2 291.355 0.955 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)CC[NH+](C)C)c1nc(C2CC2)no1 ZINC001133294699 838592621 /nfs/dbraw/zinc/59/26/21/838592621.db2.gz PLEVKWVMKVXLFS-SNVBAGLBSA-N 2 2 295.387 0.666 20 0 CCADLP C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CCCO ZINC001133355273 838608871 /nfs/dbraw/zinc/60/88/71/838608871.db2.gz WYRHMHWHRFOIMU-UONOGXRCSA-N 2 2 294.399 0.340 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C)s1 ZINC001133415565 838622050 /nfs/dbraw/zinc/62/20/50/838622050.db2.gz DMGNWPPRUOBYKH-GFCCVEGCSA-N 2 2 299.444 0.639 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)C[N@H+]2CCC[C@H]2C)o1 ZINC001133833676 838733499 /nfs/dbraw/zinc/73/34/99/838733499.db2.gz CEBPPRBUQPFXER-GFCCVEGCSA-N 2 2 294.399 0.927 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)o1 ZINC001133870965 838763346 /nfs/dbraw/zinc/76/33/46/838763346.db2.gz YAPPMMYLFARFEK-GHMZBOCLSA-N 2 2 295.387 0.036 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)o1 ZINC001133870965 838763352 /nfs/dbraw/zinc/76/33/52/838763352.db2.gz YAPPMMYLFARFEK-GHMZBOCLSA-N 2 2 295.387 0.036 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)[C@H](CC)[NH+](C)C)o1 ZINC001133982738 838802354 /nfs/dbraw/zinc/80/23/54/838802354.db2.gz KDPJMMLAHZGBAK-LBPRGKRZSA-N 2 2 282.388 0.783 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]Cc1ccccn1 ZINC001134406875 838962898 /nfs/dbraw/zinc/96/28/98/838962898.db2.gz GJRLEXAHXUWKFH-UHFFFAOYSA-N 2 2 259.313 0.253 20 0 CCADLP C[C@H](C[C@@H](C)[NH2+]CCO)NC(=O)c1cccc2[nH+]ccn21 ZINC001134965537 839131308 /nfs/dbraw/zinc/13/13/08/839131308.db2.gz XXRZLVROUKFMNU-VXGBXAGGSA-N 2 2 290.367 0.813 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CC[C@H]1CCCO1 ZINC001135080119 839155962 /nfs/dbraw/zinc/15/59/62/839155962.db2.gz LDFBEKFZARVJNC-GXTWGEPZSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]CC[C@H]1CCCO1 ZINC001135080119 839155968 /nfs/dbraw/zinc/15/59/68/839155968.db2.gz LDFBEKFZARVJNC-GXTWGEPZSA-N 2 2 294.399 0.863 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)C2)o1 ZINC001185416444 844417829 /nfs/dbraw/zinc/41/78/29/844417829.db2.gz VXHKHYOJEOAGOX-ZYHUDNBSSA-N 2 2 295.387 0.581 20 0 CCADLP CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001135949241 839476793 /nfs/dbraw/zinc/47/67/93/839476793.db2.gz KBFJAWJVOCXODZ-QWHCGFSZSA-N 2 2 296.415 0.872 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCCn2cc[nH+]c2)CN1 ZINC001246103317 839616665 /nfs/dbraw/zinc/61/66/65/839616665.db2.gz XPRZVVONGKDNFI-NEPJUHHUSA-N 2 2 266.345 0.156 20 0 CCADLP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001090601504 839666729 /nfs/dbraw/zinc/66/67/29/839666729.db2.gz SFTAUQKAONMICF-KGLIPLIRSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001090601504 839666731 /nfs/dbraw/zinc/66/67/31/839666731.db2.gz SFTAUQKAONMICF-KGLIPLIRSA-N 2 2 294.399 0.550 20 0 CCADLP CCCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001090727143 839758520 /nfs/dbraw/zinc/75/85/20/839758520.db2.gz HULAMDVVEHTXQY-ZIAGYGMSSA-N 2 2 294.399 0.314 20 0 CCADLP CCCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001090727143 839758526 /nfs/dbraw/zinc/75/85/26/839758526.db2.gz HULAMDVVEHTXQY-ZIAGYGMSSA-N 2 2 294.399 0.314 20 0 CCADLP CC[C@@]1(C(=O)OC)C[C@H](NCC2([NH3+])CCCCC2)C[NH2+]1 ZINC001246277792 839758853 /nfs/dbraw/zinc/75/88/53/839758853.db2.gz AOEIWWITSQAVDJ-WFASDCNBSA-N 2 2 283.416 0.921 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CC2CC2)C[C@@H]1O ZINC001090763836 839786313 /nfs/dbraw/zinc/78/63/13/839786313.db2.gz MNVMMEIOVQNCEO-JSGCOSHPSA-N 2 2 292.383 0.222 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CC2CC2)C[C@@H]1O ZINC001090763836 839786316 /nfs/dbraw/zinc/78/63/16/839786316.db2.gz MNVMMEIOVQNCEO-JSGCOSHPSA-N 2 2 292.383 0.222 20 0 CCADLP CCN(C(=O)CC1CC[NH+](C)CC1)C1C[NH+](C)C1 ZINC001143353394 839861422 /nfs/dbraw/zinc/86/14/22/839861422.db2.gz DUUIGDLFKATSPL-UHFFFAOYSA-N 2 2 253.390 0.881 20 0 CCADLP COc1ccc(C[NH+]2CCN(CC[NH+](C)C)CC2)nc1 ZINC001144419889 840043911 /nfs/dbraw/zinc/04/39/11/840043911.db2.gz MPRATXPVKODKOB-UHFFFAOYSA-N 2 2 278.400 0.769 20 0 CCADLP O=C1CCC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@H]1F ZINC001246570021 840058635 /nfs/dbraw/zinc/05/86/35/840058635.db2.gz YGHSUDLDPCUMIW-WDEREUQCSA-N 2 2 255.337 0.083 20 0 CCADLP O=C1CCC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@H]1F ZINC001246570021 840058639 /nfs/dbraw/zinc/05/86/39/840058639.db2.gz YGHSUDLDPCUMIW-WDEREUQCSA-N 2 2 255.337 0.083 20 0 CCADLP COC(=O)[C@H]([NH3+])C1CC[NH+]([C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246860678 840328243 /nfs/dbraw/zinc/32/82/43/840328243.db2.gz ADIYMBKOMZYQRX-WCFLWFBJSA-N 3 2 269.389 0.339 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)CO1 ZINC001246866617 840338513 /nfs/dbraw/zinc/33/85/13/840338513.db2.gz FXILPBPPKKUCAM-MPPDQPJWSA-N 2 2 254.330 0.130 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@H]3C[C@@]3([NH3+])C2)CO1 ZINC001246866617 840338516 /nfs/dbraw/zinc/33/85/16/840338516.db2.gz FXILPBPPKKUCAM-MPPDQPJWSA-N 2 2 254.330 0.130 20 0 CCADLP CC[NH+]1CCC(C(=O)NCCn2cc[nH+]c2)CC1 ZINC001146773085 840361805 /nfs/dbraw/zinc/36/18/05/840361805.db2.gz JOQYKRGGCCILLU-UHFFFAOYSA-N 2 2 250.346 0.731 20 0 CCADLP CC[NH+]1CCC(C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)CC1 ZINC001146787137 840378169 /nfs/dbraw/zinc/37/81/69/840378169.db2.gz INOGSNBJLFRFDN-CYBMUJFWSA-N 2 2 280.372 0.161 20 0 CCADLP CC[NH+]1CCC(C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)CC1 ZINC001146787137 840378182 /nfs/dbraw/zinc/37/81/82/840378182.db2.gz INOGSNBJLFRFDN-CYBMUJFWSA-N 2 2 280.372 0.161 20 0 CCADLP CC(C)[NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001147615556 840649640 /nfs/dbraw/zinc/64/96/40/840649640.db2.gz WWYUQRWEAHHESQ-UHFFFAOYSA-N 2 2 273.340 0.995 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)COCC[NH+](C)C)oc1C ZINC001147841785 840696260 /nfs/dbraw/zinc/69/62/60/840696260.db2.gz HWGFSGSPSKNKID-UHFFFAOYSA-N 2 2 298.387 0.075 20 0 CCADLP CC[C@@H](F)C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147871832 840708546 /nfs/dbraw/zinc/70/85/46/840708546.db2.gz OBMFYHACFNDZOJ-SNVBAGLBSA-N 2 2 256.325 0.417 20 0 CCADLP CCn1ccc(C[NH2+]CCNC(=O)Cc2c[nH+]cn2C)n1 ZINC001147877399 840711581 /nfs/dbraw/zinc/71/15/81/840711581.db2.gz JBEKUJGUDPHJRP-UHFFFAOYSA-N 2 2 290.371 0.085 20 0 CCADLP COCCCCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186576470 844569642 /nfs/dbraw/zinc/56/96/42/844569642.db2.gz RYBBAFHYLPSULW-CYBMUJFWSA-N 2 2 294.399 0.959 20 0 CCADLP CCC[N@H+](C)CCC(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001148571049 840839382 /nfs/dbraw/zinc/83/93/82/840839382.db2.gz TWRARJWNUKTLDC-UHFFFAOYSA-N 2 2 283.376 0.316 20 0 CCADLP CCC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001148571049 840839395 /nfs/dbraw/zinc/83/93/95/840839395.db2.gz TWRARJWNUKTLDC-UHFFFAOYSA-N 2 2 283.376 0.316 20 0 CCADLP NC(=[NH2+])Nc1ccc(C(=O)NCCn2cc[nH+]c2)cc1 ZINC001148641477 840859655 /nfs/dbraw/zinc/85/96/55/840859655.db2.gz MAVHILDTPYPITB-UHFFFAOYSA-N 2 2 272.312 0.618 20 0 CCADLP CCN(CC[NH2+]Cc1cnon1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001273456469 840954450 /nfs/dbraw/zinc/95/44/50/840954450.db2.gz AVTZMIMCBKJJJD-CYBMUJFWSA-N 2 2 295.387 0.492 20 0 CCADLP CCN(CC[NH2+]Cc1cnon1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001273456469 840954456 /nfs/dbraw/zinc/95/44/56/840954456.db2.gz AVTZMIMCBKJJJD-CYBMUJFWSA-N 2 2 295.387 0.492 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C[C@H]1CC2(CO1)CCOCC2 ZINC000712626933 841101960 /nfs/dbraw/zinc/10/19/60/841101960.db2.gz ZEUZVMBXPCBLOI-JHJVBQTASA-N 2 2 254.374 0.994 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1C[C@H]1CC2(CO1)CCOCC2 ZINC000712626933 841101962 /nfs/dbraw/zinc/10/19/62/841101962.db2.gz ZEUZVMBXPCBLOI-JHJVBQTASA-N 2 2 254.374 0.994 20 0 CCADLP CC[N@@H+]1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC001036854572 841401205 /nfs/dbraw/zinc/40/12/05/841401205.db2.gz NORMBUYLCDFSLU-NWDGAFQWSA-N 2 2 262.357 0.895 20 0 CCADLP CC[N@H+]1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC001036854572 841401213 /nfs/dbraw/zinc/40/12/13/841401213.db2.gz NORMBUYLCDFSLU-NWDGAFQWSA-N 2 2 262.357 0.895 20 0 CCADLP Cc1nc(NCCCNC(=O)[C@@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001094435024 841636155 /nfs/dbraw/zinc/63/61/55/841636155.db2.gz OPKCMNDSGQCYIZ-GFCCVEGCSA-N 2 2 277.372 0.655 20 0 CCADLP Cc1nc(NCCCNC(=O)[C@@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001094435024 841636157 /nfs/dbraw/zinc/63/61/57/841636157.db2.gz OPKCMNDSGQCYIZ-GFCCVEGCSA-N 2 2 277.372 0.655 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]2[C@H](CC[N@H+]2CCF)C1 ZINC001036910671 841689808 /nfs/dbraw/zinc/68/98/08/841689808.db2.gz XECFFQPWHHZJRY-CHWSQXEVSA-N 2 2 280.347 0.775 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]2[C@H](CC[N@@H+]2CCF)C1 ZINC001036910671 841689811 /nfs/dbraw/zinc/68/98/11/841689811.db2.gz XECFFQPWHHZJRY-CHWSQXEVSA-N 2 2 280.347 0.775 20 0 CCADLP [NH3+]CC[N@H+](CCO)[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172662114 841950175 /nfs/dbraw/zinc/95/01/75/841950175.db2.gz AZINXYCZDCLRHC-HNNXBMFYSA-N 2 2 291.395 0.431 20 0 CCADLP [NH3+]CC[N@@H+](CCO)[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172662114 841950180 /nfs/dbraw/zinc/95/01/80/841950180.db2.gz AZINXYCZDCLRHC-HNNXBMFYSA-N 2 2 291.395 0.431 20 0 CCADLP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+]2CCO[C@@H](C[NH3+])C2)C1 ZINC001173621810 842119334 /nfs/dbraw/zinc/11/93/34/842119334.db2.gz HXPCWWBXVBSRKS-AGIUHOORSA-N 2 2 270.373 0.768 20 0 CCADLP CCOC(=O)C[C@@H]1CC[C@H]([N@H+]2CCO[C@@H](C[NH3+])C2)C1 ZINC001173621810 842119343 /nfs/dbraw/zinc/11/93/43/842119343.db2.gz HXPCWWBXVBSRKS-AGIUHOORSA-N 2 2 270.373 0.768 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCCC[NH2+]Cc1csnn1 ZINC001176125684 842330056 /nfs/dbraw/zinc/33/00/56/842330056.db2.gz JRERFMRZPWVGQS-UHFFFAOYSA-N 2 2 294.384 0.339 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCCC[NH2+]CCCO ZINC001176350884 842362644 /nfs/dbraw/zinc/36/26/44/842362644.db2.gz MQLFSRYYKVDREO-LBPRGKRZSA-N 2 2 296.415 0.908 20 0 CCADLP COCC[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001176829395 842415779 /nfs/dbraw/zinc/41/57/79/842415779.db2.gz MKDZRVIMAKRZQR-ZDUSSCGKSA-N 2 2 282.388 0.794 20 0 CCADLP CN(CC(=O)N[C@H]1CCC[N@@H+](C)C1)c1cccc[nH+]1 ZINC001177414113 842584615 /nfs/dbraw/zinc/58/46/15/842584615.db2.gz SDUJQHCGMDVRPG-LBPRGKRZSA-N 2 2 262.357 0.728 20 0 CCADLP CCOCC[NH2+][C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@H]1C ZINC001178572457 842882283 /nfs/dbraw/zinc/88/22/83/842882283.db2.gz IHAQPIZCJZLUIM-STQMWFEESA-N 2 2 294.399 0.958 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001179617786 843028434 /nfs/dbraw/zinc/02/84/34/843028434.db2.gz QBSODNRNAUDYPW-JQWIXIFHSA-N 2 2 266.345 0.178 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC001179783508 843048962 /nfs/dbraw/zinc/04/89/62/843048962.db2.gz SKERECBQMSGPMD-SRVKXCTJSA-N 2 2 280.372 0.566 20 0 CCADLP CN(C)c1cc[nH+]cc1C[NH2+]CCN1CCNC1=S ZINC001179838256 843059703 /nfs/dbraw/zinc/05/97/03/843059703.db2.gz QWRSEDUMJKRJTM-UHFFFAOYSA-N 2 2 279.413 0.427 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001180279815 843142187 /nfs/dbraw/zinc/14/21/87/843142187.db2.gz LZKACKAGMPLVKH-AVGNSLFASA-N 2 2 280.372 0.497 20 0 CCADLP Cc1cc(N(C(N)=[NH2+])C(=O)[C@H](C)[NH+]2CCCC2)n[nH]1 ZINC001180586609 843219544 /nfs/dbraw/zinc/21/95/44/843219544.db2.gz SDNYTCWQKHIMGO-VIFPVBQESA-N 2 2 264.333 0.429 20 0 CCADLP C[C@@H](C(=O)N1CCN(c2[nH+]cccc2N)CC1)[NH+](C)C ZINC001180864615 843331914 /nfs/dbraw/zinc/33/19/14/843331914.db2.gz XWNHBOFIMRLZOK-NSHDSACASA-N 2 2 277.372 0.263 20 0 CCADLP COCCC1([NH3+])CCN(C(=O)Cc2cc[nH+]c(N)c2)CC1 ZINC001181276459 843440609 /nfs/dbraw/zinc/44/06/09/843440609.db2.gz BSACCUOVNCIQPZ-UHFFFAOYSA-N 2 2 292.383 0.563 20 0 CCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3cc[nH+]c(N)c3)C[C@H]21 ZINC001181256346 843448214 /nfs/dbraw/zinc/44/82/14/843448214.db2.gz OPTFAPKORLAVPZ-CHWSQXEVSA-N 2 2 274.368 0.759 20 0 CCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)Cc3cc[nH+]c(N)c3)C[C@H]21 ZINC001181256346 843448218 /nfs/dbraw/zinc/44/82/18/843448218.db2.gz OPTFAPKORLAVPZ-CHWSQXEVSA-N 2 2 274.368 0.759 20 0 CCADLP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)Cc1cc[nH+]c(N)c1)C2 ZINC001181257083 843449330 /nfs/dbraw/zinc/44/93/30/843449330.db2.gz QRHXXANDHRNWHW-IUODEOHRSA-N 2 2 274.368 0.616 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000151850648 843603432 /nfs/dbraw/zinc/60/34/32/843603432.db2.gz KTOALYOTONKXKW-CYBMUJFWSA-N 2 2 274.324 0.395 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000151850648 843603437 /nfs/dbraw/zinc/60/34/37/843603437.db2.gz KTOALYOTONKXKW-CYBMUJFWSA-N 2 2 274.324 0.395 20 0 CCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1O ZINC001206464307 843626426 /nfs/dbraw/zinc/62/64/26/843626426.db2.gz MPHBEUIORDGBAZ-CMPLNLGQSA-N 2 2 252.314 0.152 20 0 CCADLP COc1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1O ZINC001206464307 843626430 /nfs/dbraw/zinc/62/64/30/843626430.db2.gz MPHBEUIORDGBAZ-CMPLNLGQSA-N 2 2 252.314 0.152 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1)c1csnn1 ZINC001151066791 843631424 /nfs/dbraw/zinc/63/14/24/843631424.db2.gz YWSZKDMVHYBRCS-UWVGGRQHSA-N 2 2 283.401 0.257 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1)c1csnn1 ZINC001151066791 843631431 /nfs/dbraw/zinc/63/14/31/843631431.db2.gz YWSZKDMVHYBRCS-UWVGGRQHSA-N 2 2 283.401 0.257 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CC[NH+](C(C)C)C1 ZINC001181977527 843655751 /nfs/dbraw/zinc/65/57/51/843655751.db2.gz LPIGAAGABVFAFU-STQMWFEESA-N 2 2 297.399 0.032 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CC[NH+](C(C)C)C1 ZINC001181977527 843655756 /nfs/dbraw/zinc/65/57/56/843655756.db2.gz LPIGAAGABVFAFU-STQMWFEESA-N 2 2 297.399 0.032 20 0 CCADLP COC(=O)[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001181977527 843655763 /nfs/dbraw/zinc/65/57/63/843655763.db2.gz LPIGAAGABVFAFU-STQMWFEESA-N 2 2 297.399 0.032 20 0 CCADLP COC(=O)[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1CC[N@H+](C(C)C)C1 ZINC001181977527 843655768 /nfs/dbraw/zinc/65/57/68/843655768.db2.gz LPIGAAGABVFAFU-STQMWFEESA-N 2 2 297.399 0.032 20 0 CCADLP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001182849628 843934304 /nfs/dbraw/zinc/93/43/04/843934304.db2.gz SSKDXSPDJLEXJV-HNNXBMFYSA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)[N@H+]1CC[C@H]1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001182849628 843934309 /nfs/dbraw/zinc/93/43/09/843934309.db2.gz SSKDXSPDJLEXJV-HNNXBMFYSA-N 2 2 295.427 0.792 20 0 CCADLP COCCCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001187092595 844649717 /nfs/dbraw/zinc/64/97/17/844649717.db2.gz YALWWBJTXKBPCS-CYBMUJFWSA-N 2 2 294.399 0.580 20 0 CCADLP C[NH+](C)CCCCC(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC001187231325 844673449 /nfs/dbraw/zinc/67/34/49/844673449.db2.gz JTTFYKOYMHKGMM-GFCCVEGCSA-N 2 2 295.387 0.492 20 0 CCADLP CC(C)OCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001188376336 844876011 /nfs/dbraw/zinc/87/60/11/844876011.db2.gz MYDZLXAPPMLVSQ-CYBMUJFWSA-N 2 2 280.372 0.499 20 0 CCADLP COC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189873185 845243095 /nfs/dbraw/zinc/24/30/95/845243095.db2.gz CQVZOQSVNCRFQC-OLZOCXBDSA-N 2 2 294.399 0.910 20 0 CCADLP COC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189873185 845243104 /nfs/dbraw/zinc/24/31/04/845243104.db2.gz CQVZOQSVNCRFQC-OLZOCXBDSA-N 2 2 294.399 0.910 20 0 CCADLP C[NH+](C)C1(CNC(=O)NC2CC2)CC[NH+](C)CC1 ZINC001191488692 845659570 /nfs/dbraw/zinc/65/95/70/845659570.db2.gz CZQFQGZQJHCMQJ-UHFFFAOYSA-N 2 2 254.378 0.474 20 0 CCADLP C[C@H](F)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192639865 845889375 /nfs/dbraw/zinc/88/93/75/845889375.db2.gz LLBREQVXTGMMST-QJPTWQEYSA-N 2 2 298.362 0.252 20 0 CCADLP C[C@H](F)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192639865 845889382 /nfs/dbraw/zinc/88/93/82/845889382.db2.gz LLBREQVXTGMMST-QJPTWQEYSA-N 2 2 298.362 0.252 20 0 CCADLP COCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001192767212 845905795 /nfs/dbraw/zinc/90/57/95/845905795.db2.gz OMOCNBOLTYICDV-OCCSQVGLSA-N 2 2 294.399 0.767 20 0 CCADLP COCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001192767212 845905799 /nfs/dbraw/zinc/90/57/99/845905799.db2.gz OMOCNBOLTYICDV-OCCSQVGLSA-N 2 2 294.399 0.767 20 0 CCADLP COCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001192767212 845905802 /nfs/dbraw/zinc/90/58/02/845905802.db2.gz OMOCNBOLTYICDV-OCCSQVGLSA-N 2 2 294.399 0.767 20 0 CCADLP COCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001192767212 845905808 /nfs/dbraw/zinc/90/58/08/845905808.db2.gz OMOCNBOLTYICDV-OCCSQVGLSA-N 2 2 294.399 0.767 20 0 CCADLP C[N@H+](CCCO)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001193470443 846086116 /nfs/dbraw/zinc/08/61/16/846086116.db2.gz YSUFVZRKGRGIBD-GFCCVEGCSA-N 2 2 294.399 0.602 20 0 CCADLP C[N@@H+](CCCO)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001193470443 846086122 /nfs/dbraw/zinc/08/61/22/846086122.db2.gz YSUFVZRKGRGIBD-GFCCVEGCSA-N 2 2 294.399 0.602 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1O ZINC001193601474 846137709 /nfs/dbraw/zinc/13/77/09/846137709.db2.gz FZFDXNYHAHDZOP-ZIAGYGMSSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1O ZINC001193601474 846137713 /nfs/dbraw/zinc/13/77/13/846137713.db2.gz FZFDXNYHAHDZOP-ZIAGYGMSSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1O ZINC001193601474 846137720 /nfs/dbraw/zinc/13/77/20/846137720.db2.gz FZFDXNYHAHDZOP-ZIAGYGMSSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1O ZINC001193601474 846137725 /nfs/dbraw/zinc/13/77/25/846137725.db2.gz FZFDXNYHAHDZOP-ZIAGYGMSSA-N 2 2 292.383 0.304 20 0 CCADLP CC[C@H](C[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)OC ZINC001194460903 846297523 /nfs/dbraw/zinc/29/75/23/846297523.db2.gz STQUHEGRDMOYSJ-ZIAGYGMSSA-N 2 2 294.399 0.841 20 0 CCADLP CC[C@H](C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)OC ZINC001194460903 846297531 /nfs/dbraw/zinc/29/75/31/846297531.db2.gz STQUHEGRDMOYSJ-ZIAGYGMSSA-N 2 2 294.399 0.841 20 0 CCADLP COc1ncc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)cn1 ZINC001205672318 846359106 /nfs/dbraw/zinc/35/91/06/846359106.db2.gz IQFZDETVDJUAMT-ZDUSSCGKSA-N 2 2 266.345 0.161 20 0 CCADLP COc1ncc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)cn1 ZINC001205672318 846359112 /nfs/dbraw/zinc/35/91/12/846359112.db2.gz IQFZDETVDJUAMT-ZDUSSCGKSA-N 2 2 266.345 0.161 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1O ZINC001195128745 846468972 /nfs/dbraw/zinc/46/89/72/846468972.db2.gz MXXPSPOBJJRQEA-ZIAGYGMSSA-N 2 2 292.383 0.235 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1O ZINC001195128745 846468978 /nfs/dbraw/zinc/46/89/78/846468978.db2.gz MXXPSPOBJJRQEA-ZIAGYGMSSA-N 2 2 292.383 0.235 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@@H]([NH2+]CCCO)C12CCC2 ZINC001203814302 846607064 /nfs/dbraw/zinc/60/70/64/846607064.db2.gz JMTGCIJPXGEGDE-CHWSQXEVSA-N 2 2 292.383 0.283 20 0 CCADLP CCC[N@H+](C)CCC(=O)N1CCC[NH+]([C@H](C)C(N)=O)CC1 ZINC001197898981 846998677 /nfs/dbraw/zinc/99/86/77/846998677.db2.gz KXRFNBALJVRXOV-CYBMUJFWSA-N 2 2 298.431 0.126 20 0 CCADLP CCC[N@@H+](C)CCC(=O)N1CCC[NH+]([C@H](C)C(N)=O)CC1 ZINC001197898981 846998681 /nfs/dbraw/zinc/99/86/81/846998681.db2.gz KXRFNBALJVRXOV-CYBMUJFWSA-N 2 2 298.431 0.126 20 0 CCADLP CCC[NH+](C)CCC(=O)N1CCC[N@@H+]([C@H](C)C(N)=O)CC1 ZINC001197898981 846998694 /nfs/dbraw/zinc/99/86/94/846998694.db2.gz KXRFNBALJVRXOV-CYBMUJFWSA-N 2 2 298.431 0.126 20 0 CCADLP CCC[NH+](C)CCC(=O)N1CCC[N@H+]([C@H](C)C(N)=O)CC1 ZINC001197898981 846998703 /nfs/dbraw/zinc/99/87/03/846998703.db2.gz KXRFNBALJVRXOV-CYBMUJFWSA-N 2 2 298.431 0.126 20 0 CCADLP CN1C(=O)C[C@]2(CCC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001273829408 847616609 /nfs/dbraw/zinc/61/66/09/847616609.db2.gz BQGUSLNGLSUAFS-HNNXBMFYSA-N 2 2 279.384 0.552 20 0 CCADLP CN1C(=O)C[C@]2(CCC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001273829408 847616614 /nfs/dbraw/zinc/61/66/14/847616614.db2.gz BQGUSLNGLSUAFS-HNNXBMFYSA-N 2 2 279.384 0.552 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)N1[C@H]2COC[C@@H]1C[N@H+](C)C2 ZINC001273856145 847684961 /nfs/dbraw/zinc/68/49/61/847684961.db2.gz QUMHSBDEFFIMGK-TXEJJXNPSA-N 2 2 290.367 0.303 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)N1[C@H]2COC[C@@H]1C[N@@H+](C)C2 ZINC001273856145 847684968 /nfs/dbraw/zinc/68/49/68/847684968.db2.gz QUMHSBDEFFIMGK-TXEJJXNPSA-N 2 2 290.367 0.303 20 0 CCADLP CC[C@@H](C)C[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001201511663 847786225 /nfs/dbraw/zinc/78/62/25/847786225.db2.gz SWVKFUSWFGMPBH-OAHLLOKOSA-N 2 2 269.433 0.982 20 0 CCADLP O=S(=O)([C@@H]1CCC[NH2+]C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000923627236 848078152 /nfs/dbraw/zinc/07/81/52/848078152.db2.gz TULOGLBOINBPKP-GFCCVEGCSA-N 2 2 298.412 0.671 20 0 CCADLP [NH3+][C@@H]1CN(CC[NH+]2CCOCC2)CC[C@H]1C(F)(F)F ZINC000717090159 848128349 /nfs/dbraw/zinc/12/83/49/848128349.db2.gz AKBOLNUNJBBZQV-GHMZBOCLSA-N 2 2 281.322 0.530 20 0 CCADLP CCOC(=O)[C@H]1CC[N@H+](C[C@H](O)C[NH+](CC)CC)C1 ZINC001253189063 848153744 /nfs/dbraw/zinc/15/37/44/848153744.db2.gz FKYFLGAPHIBGJH-QWHCGFSZSA-N 2 2 272.389 0.574 20 0 CCADLP CCOC(=O)[C@H]1CC[N@@H+](C[C@H](O)C[NH+](CC)CC)C1 ZINC001253189063 848153752 /nfs/dbraw/zinc/15/37/52/848153752.db2.gz FKYFLGAPHIBGJH-QWHCGFSZSA-N 2 2 272.389 0.574 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+]CC1CCS(=O)(=O)CC1 ZINC001253205835 848158388 /nfs/dbraw/zinc/15/83/88/848158388.db2.gz HXGRTAQDNWSDJC-ZDUSSCGKSA-N 2 2 292.445 0.104 20 0 CCADLP CC(C)(CNC(=O)CC[NH2+]CC1CC1)[NH+]1CCOCC1 ZINC000717152089 848165774 /nfs/dbraw/zinc/16/57/74/848165774.db2.gz QAUZAGJCBLXIEX-UHFFFAOYSA-N 2 2 283.416 0.603 20 0 CCADLP CC(=O)[C@H](C)[N@@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001273985909 848202109 /nfs/dbraw/zinc/20/21/09/848202109.db2.gz XEASEOCDRIMDOC-WFASDCNBSA-N 2 2 281.400 0.592 20 0 CCADLP CC(=O)[C@H](C)[N@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001273985909 848202119 /nfs/dbraw/zinc/20/21/19/848202119.db2.gz XEASEOCDRIMDOC-WFASDCNBSA-N 2 2 281.400 0.592 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001274054271 848328893 /nfs/dbraw/zinc/32/88/93/848328893.db2.gz YJYNDDKSUSLYDI-DOMZBBRYSA-N 2 2 292.383 0.225 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001274054271 848328904 /nfs/dbraw/zinc/32/89/04/848328904.db2.gz YJYNDDKSUSLYDI-DOMZBBRYSA-N 2 2 292.383 0.225 20 0 CCADLP c1cn(CCN2CCC23C[NH+](C[C@H]2CCOC2)C3)c[nH+]1 ZINC001275172506 848656185 /nfs/dbraw/zinc/65/61/85/848656185.db2.gz QCGJFLKKJKXIQR-CQSZACIVSA-N 2 2 276.384 0.680 20 0 CCADLP c1cn(CC[N@H+]2C[C@H]3CC[C@@H](C2)N3Cc2cn[nH]c2)c[nH+]1 ZINC001275212052 848667263 /nfs/dbraw/zinc/66/72/63/848667263.db2.gz NEKPVBUOAXDHEI-GASCZTMLSA-N 2 2 286.383 0.955 20 0 CCADLP c1cn(CC[N@@H+]2C[C@H]3CC[C@@H](C2)N3Cc2cn[nH]c2)c[nH+]1 ZINC001275212052 848667268 /nfs/dbraw/zinc/66/72/68/848667268.db2.gz NEKPVBUOAXDHEI-GASCZTMLSA-N 2 2 286.383 0.955 20 0 CCADLP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1ccnnc1)C2 ZINC001275878796 848855194 /nfs/dbraw/zinc/85/51/94/848855194.db2.gz JQZDQEFDTQAHRC-UHFFFAOYSA-N 2 2 261.373 0.156 20 0 CCADLP C[C@H]1C[C@H]1C[N@@H+]1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001276034342 848899846 /nfs/dbraw/zinc/89/98/46/848899846.db2.gz YQGUHRPEKYMXKB-YHUYYLMFSA-N 2 2 290.411 0.924 20 0 CCADLP C[C@H]1C[C@H]1C[N@H+]1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001276034342 848899850 /nfs/dbraw/zinc/89/98/50/848899850.db2.gz YQGUHRPEKYMXKB-YHUYYLMFSA-N 2 2 290.411 0.924 20 0 CCADLP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3cnco3)C[C@@H]21 ZINC001276161575 848943858 /nfs/dbraw/zinc/94/38/58/848943858.db2.gz OXZSPTZRNANYRK-KBPBESRZSA-N 2 2 280.372 0.121 20 0 CCADLP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3cnco3)C[C@@H]21 ZINC001276161575 848943863 /nfs/dbraw/zinc/94/38/63/848943863.db2.gz OXZSPTZRNANYRK-KBPBESRZSA-N 2 2 280.372 0.121 20 0 CCADLP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3c[nH]cn3)[C@@H]2C1 ZINC001276204140 848959823 /nfs/dbraw/zinc/95/98/23/848959823.db2.gz NYJSGYZRYOLLJB-GXTWGEPZSA-N 2 2 263.389 0.477 20 0 CCADLP C[NH+](C)CCN1C[C@@H]2CC[N@H+](Cc3c[nH]cn3)[C@@H]2C1 ZINC001276204140 848959819 /nfs/dbraw/zinc/95/98/19/848959819.db2.gz NYJSGYZRYOLLJB-GXTWGEPZSA-N 2 2 263.389 0.477 20 0 CCADLP C[NH+](C)CCN1C[C@@H]2CC[N@H+](Cc3cnc[nH]3)[C@@H]2C1 ZINC001276204140 848959814 /nfs/dbraw/zinc/95/98/14/848959814.db2.gz NYJSGYZRYOLLJB-GXTWGEPZSA-N 2 2 263.389 0.477 20 0 CCADLP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3cnc[nH]3)[C@@H]2C1 ZINC001276204140 848959817 /nfs/dbraw/zinc/95/98/17/848959817.db2.gz NYJSGYZRYOLLJB-GXTWGEPZSA-N 2 2 263.389 0.477 20 0 CCADLP COc1cccc(C[NH+]2CC3(CN(CC[NH+](C)C)C3)C2)n1 ZINC001276250050 848972447 /nfs/dbraw/zinc/97/24/47/848972447.db2.gz GJFAIUGUSUAMKX-UHFFFAOYSA-N 2 2 290.411 0.769 20 0 CCADLP CO[C@H]1CCC[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000718297518 849247952 /nfs/dbraw/zinc/24/79/52/849247952.db2.gz GWCNIALQCTZYMD-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP COCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC001114885164 849568996 /nfs/dbraw/zinc/56/89/96/849568996.db2.gz KAQLZQANGYGEME-IMRBUKKESA-N 2 2 278.356 0.035 20 0 CCADLP COCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC001114885164 849569003 /nfs/dbraw/zinc/56/90/03/849569003.db2.gz KAQLZQANGYGEME-IMRBUKKESA-N 2 2 278.356 0.035 20 0 CCADLP CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1[NH2+]CCO ZINC001037908422 849604204 /nfs/dbraw/zinc/60/42/04/849604204.db2.gz NLOADDONCUOFHW-ZIAGYGMSSA-N 2 2 294.399 0.482 20 0 CCADLP CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1[NH2+]CCO ZINC001037996338 849629289 /nfs/dbraw/zinc/62/92/89/849629289.db2.gz KENIYCBQIHTMRX-OLZOCXBDSA-N 2 2 280.372 0.092 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001038347440 849861558 /nfs/dbraw/zinc/86/15/58/849861558.db2.gz WGVOMZNGCPTKQR-RYUDHWBXSA-N 2 2 262.357 0.971 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001038347440 849861568 /nfs/dbraw/zinc/86/15/68/849861568.db2.gz WGVOMZNGCPTKQR-RYUDHWBXSA-N 2 2 262.357 0.971 20 0 CCADLP C[NH+](C)Cc1ccoc1C(=O)NC[C@@H]1CC[N@@H+]1CCCO ZINC001038642370 849966738 /nfs/dbraw/zinc/96/67/38/849966738.db2.gz BVKOOBFIDUFFGH-ZDUSSCGKSA-N 2 2 295.383 0.528 20 0 CCADLP C[NH+](C)Cc1ccoc1C(=O)NC[C@@H]1CC[N@H+]1CCCO ZINC001038642370 849966752 /nfs/dbraw/zinc/96/67/52/849966752.db2.gz BVKOOBFIDUFFGH-ZDUSSCGKSA-N 2 2 295.383 0.528 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCO ZINC001039933765 850244940 /nfs/dbraw/zinc/24/49/40/850244940.db2.gz YEWXJXHSSNOCDE-BETUJISGSA-N 2 2 278.356 0.010 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCO ZINC001039933765 850244946 /nfs/dbraw/zinc/24/49/46/850244946.db2.gz YEWXJXHSSNOCDE-BETUJISGSA-N 2 2 278.356 0.010 20 0 CCADLP CC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001042917566 850780516 /nfs/dbraw/zinc/78/05/16/850780516.db2.gz JTOKZMRWWLIHHQ-HNNXBMFYSA-N 2 2 295.427 0.792 20 0 CCADLP CC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001042917566 850780518 /nfs/dbraw/zinc/78/05/18/850780518.db2.gz JTOKZMRWWLIHHQ-HNNXBMFYSA-N 2 2 295.427 0.792 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001043070090 850806675 /nfs/dbraw/zinc/80/66/75/850806675.db2.gz IYHKJNXQUDHTRE-DZGCQCFKSA-N 2 2 295.427 0.792 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001043070090 850806678 /nfs/dbraw/zinc/80/66/78/850806678.db2.gz IYHKJNXQUDHTRE-DZGCQCFKSA-N 2 2 295.427 0.792 20 0 CCADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1C[NH+](C[C@H]2CCCOC2)C1 ZINC001043978378 850975849 /nfs/dbraw/zinc/97/58/49/850975849.db2.gz UXGAMURWMFMGGU-GFCCVEGCSA-N 2 2 292.383 0.521 20 0 CCADLP COC[C@H](C)[NH+]1CC(N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001044086257 851006479 /nfs/dbraw/zinc/00/64/79/851006479.db2.gz SPBVGQGEFJEDOZ-AWEZNQCLSA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CC(N(C)C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001044195038 851039727 /nfs/dbraw/zinc/03/97/27/851039727.db2.gz RVQBIQHZAUUQFC-UHFFFAOYSA-N 2 2 262.357 0.924 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)C1C[NH+](CCCO)C1 ZINC001044331113 851078464 /nfs/dbraw/zinc/07/84/64/851078464.db2.gz HDXMUFZNRUQPBP-BETUJISGSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)C1C[NH+](CCCO)C1 ZINC001044331113 851078474 /nfs/dbraw/zinc/07/84/74/851078474.db2.gz HDXMUFZNRUQPBP-BETUJISGSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C)Cn1cc[nH+]c1 ZINC000900787783 851513401 /nfs/dbraw/zinc/51/34/01/851513401.db2.gz SDPKYGZYRVBUIJ-YRGRVCCFSA-N 2 2 280.372 0.091 20 0 CCADLP C[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C)Cn1cc[nH+]c1 ZINC000900787783 851513411 /nfs/dbraw/zinc/51/34/11/851513411.db2.gz SDPKYGZYRVBUIJ-YRGRVCCFSA-N 2 2 280.372 0.091 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001048438019 851958062 /nfs/dbraw/zinc/95/80/62/851958062.db2.gz MYRPVPACHDJRGY-NWDGAFQWSA-N 2 2 264.373 0.667 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCF ZINC001049848442 852386651 /nfs/dbraw/zinc/38/66/51/852386651.db2.gz KUDREEZSTKINHA-KBPBESRZSA-N 2 2 294.374 0.997 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCF ZINC001049848442 852386659 /nfs/dbraw/zinc/38/66/59/852386659.db2.gz KUDREEZSTKINHA-KBPBESRZSA-N 2 2 294.374 0.997 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)[C@@H](C1CC1)[NH+](C)C)CCO2 ZINC001053287470 852723249 /nfs/dbraw/zinc/72/32/49/852723249.db2.gz ZRALVMRQLNONPW-CYBMUJFWSA-N 2 2 281.400 0.260 20 0 CCADLP CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)CO2 ZINC001053847008 852832497 /nfs/dbraw/zinc/83/24/97/852832497.db2.gz VEKMSXCBIBOODD-ZIAGYGMSSA-N 2 2 295.427 0.840 20 0 CCADLP CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)CO2 ZINC001053847008 852832500 /nfs/dbraw/zinc/83/25/00/852832500.db2.gz VEKMSXCBIBOODD-ZIAGYGMSSA-N 2 2 295.427 0.840 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)CO2 ZINC001053890120 852840138 /nfs/dbraw/zinc/84/01/38/852840138.db2.gz ANXCTULXHUGDGU-ZDUSSCGKSA-N 2 2 295.427 0.840 20 0 CCADLP CC(C)C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001050849550 853460852 /nfs/dbraw/zinc/46/08/52/853460852.db2.gz XCZBOOIUAOOJBA-ZIAGYGMSSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001050849550 853460856 /nfs/dbraw/zinc/46/08/56/853460856.db2.gz XCZBOOIUAOOJBA-ZIAGYGMSSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)C[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001050849550 853460861 /nfs/dbraw/zinc/46/08/61/853460861.db2.gz XCZBOOIUAOOJBA-ZIAGYGMSSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)C[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001050849550 853460864 /nfs/dbraw/zinc/46/08/64/853460864.db2.gz XCZBOOIUAOOJBA-ZIAGYGMSSA-N 2 2 283.416 0.554 20 0 CCADLP CCOC(=O)C1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000383877144 853865057 /nfs/dbraw/zinc/86/50/57/853865057.db2.gz ZOLKWMVWGRYCML-AWEZNQCLSA-N 2 2 284.400 0.718 20 0 CCADLP C(CN1CCSCC1)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000385569703 853895225 /nfs/dbraw/zinc/89/52/25/853895225.db2.gz CTZMAICLJFEANG-YHQUGGNUSA-N 2 2 267.442 0.621 20 0 CCADLP CC(C)NC(=O)[C@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000385598051 853897002 /nfs/dbraw/zinc/89/70/02/853897002.db2.gz KLMFQZBLJAERPR-ASHHDVGLSA-N 2 2 251.374 0.486 20 0 CCADLP CC(C)[N@H+](CCOCCO)C[C@H](O)C[NH+]1CCCC1 ZINC000388356572 853974682 /nfs/dbraw/zinc/97/46/82/853974682.db2.gz GVOJYPUQTAWHIA-CQSZACIVSA-N 2 2 274.405 0.162 20 0 CCADLP CC(C)[N@@H+](CCOCCO)C[C@H](O)C[NH+]1CCCC1 ZINC000388356572 853974685 /nfs/dbraw/zinc/97/46/85/853974685.db2.gz GVOJYPUQTAWHIA-CQSZACIVSA-N 2 2 274.405 0.162 20 0 CCADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](C[C@H](O)C[NH+]1CCCC1)C2 ZINC000388998085 853981822 /nfs/dbraw/zinc/98/18/22/853981822.db2.gz UHMNNUQDXADGOB-ZNMIVQPWSA-N 3 2 267.417 0.504 20 0 CCADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C2 ZINC000388998085 853981828 /nfs/dbraw/zinc/98/18/28/853981828.db2.gz UHMNNUQDXADGOB-ZNMIVQPWSA-N 3 2 267.417 0.504 20 0 CCADLP CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc[nH+]c1)C[C@@H](C)O2 ZINC001071248785 854141893 /nfs/dbraw/zinc/14/18/93/854141893.db2.gz SSUNPZVTYLTIJQ-HIFRSBDPSA-N 2 2 292.383 0.595 20 0 CCADLP CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc[nH+]c1)C[C@@H](C)O2 ZINC001071248785 854141898 /nfs/dbraw/zinc/14/18/98/854141898.db2.gz SSUNPZVTYLTIJQ-HIFRSBDPSA-N 2 2 292.383 0.595 20 0 CCADLP [NH3+]CCCCCC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394386701 854175832 /nfs/dbraw/zinc/17/58/32/854175832.db2.gz AAOGIDKWXMIVNU-CYBMUJFWSA-N 2 2 268.405 0.012 20 0 CCADLP [NH3+]CCCCCC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000394386701 854175834 /nfs/dbraw/zinc/17/58/34/854175834.db2.gz AAOGIDKWXMIVNU-CYBMUJFWSA-N 2 2 268.405 0.012 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCO)C1 ZINC001072029819 854338274 /nfs/dbraw/zinc/33/82/74/854338274.db2.gz KEROGZIECRCMKA-CMPLNLGQSA-N 2 2 280.372 0.222 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCO)C1 ZINC001072029819 854338278 /nfs/dbraw/zinc/33/82/78/854338278.db2.gz KEROGZIECRCMKA-CMPLNLGQSA-N 2 2 280.372 0.222 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397313797 854411982 /nfs/dbraw/zinc/41/19/82/854411982.db2.gz KPILUUBQICAWGM-QPSCCSFWSA-N 3 2 287.448 0.231 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397313797 854411988 /nfs/dbraw/zinc/41/19/88/854411988.db2.gz KPILUUBQICAWGM-QPSCCSFWSA-N 3 2 287.448 0.231 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397313797 854411973 /nfs/dbraw/zinc/41/19/73/854411973.db2.gz KPILUUBQICAWGM-QPSCCSFWSA-N 3 2 287.448 0.231 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397313797 854411978 /nfs/dbraw/zinc/41/19/78/854411978.db2.gz KPILUUBQICAWGM-QPSCCSFWSA-N 3 2 287.448 0.231 20 0 CCADLP C[C@H](O)C[N@@H+]1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001072673742 854444088 /nfs/dbraw/zinc/44/40/88/854444088.db2.gz SYOMVJYHVHZXJO-LBPRGKRZSA-N 2 2 292.383 0.257 20 0 CCADLP C[C@H](O)C[N@H+]1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001072673742 854444090 /nfs/dbraw/zinc/44/40/90/854444090.db2.gz SYOMVJYHVHZXJO-LBPRGKRZSA-N 2 2 292.383 0.257 20 0 CCADLP C[C@H](CC(=O)N1CC2(C1)CC[N@H+](CCO)C2)n1cc[nH+]c1 ZINC001073021963 854518275 /nfs/dbraw/zinc/51/82/75/854518275.db2.gz VDHJFYAAOQYSRD-CYBMUJFWSA-N 2 2 292.383 0.361 20 0 CCADLP C[C@H](CC(=O)N1CC2(C1)CC[N@@H+](CCO)C2)n1cc[nH+]c1 ZINC001073021963 854518278 /nfs/dbraw/zinc/51/82/78/854518278.db2.gz VDHJFYAAOQYSRD-CYBMUJFWSA-N 2 2 292.383 0.361 20 0 CCADLP CC(C)[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001074581916 854752966 /nfs/dbraw/zinc/75/29/66/854752966.db2.gz YJSJMKCJVRVXEQ-AVGNSLFASA-N 2 2 269.389 0.304 20 0 CCADLP CC(C)[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001074581916 854752968 /nfs/dbraw/zinc/75/29/68/854752968.db2.gz YJSJMKCJVRVXEQ-AVGNSLFASA-N 2 2 269.389 0.304 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](C)O ZINC001098286692 854855492 /nfs/dbraw/zinc/85/54/92/854855492.db2.gz MPGUTXXGMBZXNE-IMJCEVDSSA-N 2 2 292.383 0.363 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](C)O ZINC001098286692 854855497 /nfs/dbraw/zinc/85/54/97/854855497.db2.gz MPGUTXXGMBZXNE-IMJCEVDSSA-N 2 2 292.383 0.363 20 0 CCADLP CC(C)C[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099939549 855039606 /nfs/dbraw/zinc/03/96/06/855039606.db2.gz HQSRHOCEMOBQQE-KBPBESRZSA-N 2 2 294.399 0.481 20 0 CCADLP CC(C)C[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099939549 855039615 /nfs/dbraw/zinc/03/96/15/855039615.db2.gz HQSRHOCEMOBQQE-KBPBESRZSA-N 2 2 294.399 0.481 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099940043 855040214 /nfs/dbraw/zinc/04/02/14/855040214.db2.gz PMTAMFPUFZMESH-QWHCGFSZSA-N 2 2 280.372 0.235 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099940043 855040217 /nfs/dbraw/zinc/04/02/17/855040217.db2.gz PMTAMFPUFZMESH-QWHCGFSZSA-N 2 2 280.372 0.235 20 0 CCADLP CC[NH2+]C1CC(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001100294263 855139624 /nfs/dbraw/zinc/13/96/24/855139624.db2.gz NMIJSUIRGWPHRE-UHFFFAOYSA-N 2 2 250.346 0.847 20 0 CCADLP COCCCC[NH2+]C1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001100710603 855213564 /nfs/dbraw/zinc/21/35/64/855213564.db2.gz ZMQGZWAZAQMWBA-UHFFFAOYSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1CC([NH2+]CCO)C1 ZINC001100744407 855217711 /nfs/dbraw/zinc/21/77/11/855217711.db2.gz WXRSMUXAJFRPKJ-VOMCLLRMSA-N 2 2 280.372 0.065 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1CC([NH2+]CCO)C1 ZINC001100744407 855217717 /nfs/dbraw/zinc/21/77/17/855217717.db2.gz WXRSMUXAJFRPKJ-VOMCLLRMSA-N 2 2 280.372 0.065 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC1CC([NH2+]C[C@@H]2CCOC2)C1 ZINC001100789464 855226032 /nfs/dbraw/zinc/22/60/32/855226032.db2.gz BQKGCKNHAJLZJG-HIFPTAJRSA-N 2 2 292.383 0.473 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC1CC([NH2+]CCCO)C1 ZINC001100921221 855238396 /nfs/dbraw/zinc/23/83/96/855238396.db2.gz NGPVPDUQIIKXDU-UHFFFAOYSA-N 2 2 280.372 0.127 20 0 CCADLP C[C@@H]1C[N@H+](CC2CC2)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616903 855451114 /nfs/dbraw/zinc/45/11/14/855451114.db2.gz XLTMLDKXVGGXRT-TZMCWYRMSA-N 2 2 276.384 0.977 20 0 CCADLP C[C@@H]1C[N@@H+](CC2CC2)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616903 855451120 /nfs/dbraw/zinc/45/11/20/855451120.db2.gz XLTMLDKXVGGXRT-TZMCWYRMSA-N 2 2 276.384 0.977 20 0 CCADLP COC1(OC)CCOC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000698313174 855623896 /nfs/dbraw/zinc/62/38/96/855623896.db2.gz NSVSHWJUCJARBC-GFCCVEGCSA-N 2 2 269.345 0.330 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001116370930 855754718 /nfs/dbraw/zinc/75/47/18/855754718.db2.gz RLUDVKVHMFENTQ-VXGBXAGGSA-N 2 2 250.346 0.997 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001116370930 855754722 /nfs/dbraw/zinc/75/47/22/855754722.db2.gz RLUDVKVHMFENTQ-VXGBXAGGSA-N 2 2 250.346 0.997 20 0 CCADLP C[C@@H](C(=O)N(C)C[C@H]1CCC[N@@H+]1C)n1cc[nH+]c1 ZINC001117996883 856131977 /nfs/dbraw/zinc/13/19/77/856131977.db2.gz HCFDNQOIZRPNAN-NWDGAFQWSA-N 2 2 250.346 0.997 20 0 CCADLP C[C@@H](C(=O)N(C)C[C@H]1CCC[N@H+]1C)n1cc[nH+]c1 ZINC001117996883 856131981 /nfs/dbraw/zinc/13/19/81/856131981.db2.gz HCFDNQOIZRPNAN-NWDGAFQWSA-N 2 2 250.346 0.997 20 0 CCADLP [NH3+]CCCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001118273435 856238936 /nfs/dbraw/zinc/23/89/36/856238936.db2.gz WMZSDUGZOYMRCM-UHFFFAOYSA-N 2 2 250.346 0.617 20 0 CCADLP C[NH+]1CCC(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001118793579 856445609 /nfs/dbraw/zinc/44/56/09/856445609.db2.gz NNFOXGOISUSHTG-GFCCVEGCSA-N 2 2 262.357 0.656 20 0 CCADLP CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@H]1CC[NH2+]C1 ZINC001119379790 856661322 /nfs/dbraw/zinc/66/13/22/856661322.db2.gz AUSNDVFICACZQT-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1([NH2+]CCCO)CCCCC1 ZINC001120248591 857017162 /nfs/dbraw/zinc/01/71/62/857017162.db2.gz GOXOVCQELXRPLV-UHFFFAOYSA-N 2 2 294.399 0.674 20 0 CCADLP CC(C)C[C@H](C[NH2+]CCC(=O)NC(N)=O)[NH+](C)C ZINC001120480176 857084177 /nfs/dbraw/zinc/08/41/77/857084177.db2.gz MQILMPAMXMGYLW-SNVBAGLBSA-N 2 2 258.366 0.137 20 0 CCADLP CC[C@@H](C(=O)NCC1([NH2+]Cc2ccon2)CC1)[NH+](C)C ZINC001392936732 912278155 /nfs/dbraw/zinc/27/81/55/912278155.db2.gz JZXVIDLLIBVWAE-LBPRGKRZSA-N 2 2 280.372 0.753 20 0 CCADLP CC[C@H](C(=O)N[C@@]1(C)CC[N@H+](CC(N)=O)C1)[NH+](CC)CC ZINC001393108425 912395510 /nfs/dbraw/zinc/39/55/10/912395510.db2.gz AATSPELHORUGPB-DOMZBBRYSA-N 2 2 298.431 0.173 20 0 CCADLP CC[C@H](C(=O)N[C@@]1(C)CC[N@@H+](CC(N)=O)C1)[NH+](CC)CC ZINC001393108425 912395526 /nfs/dbraw/zinc/39/55/26/912395526.db2.gz AATSPELHORUGPB-DOMZBBRYSA-N 2 2 298.431 0.173 20 0 CCADLP C[C@@H](CC(=O)NCC1([NH2+]CCO)CC1)n1cc[nH+]c1 ZINC001323555437 912410681 /nfs/dbraw/zinc/41/06/81/912410681.db2.gz PKFAXJHFJHHQTI-NSHDSACASA-N 2 2 266.345 0.065 20 0 CCADLP CC[N@H+](C)CCC(=O)N1CCOC2(C[NH+](C(C)C)C2)C1 ZINC001393653372 912700628 /nfs/dbraw/zinc/70/06/28/912700628.db2.gz NINZFMMUVGJLRD-UHFFFAOYSA-N 2 2 283.416 0.650 20 0 CCADLP CC[N@@H+](C)CCC(=O)N1CCOC2(C[NH+](C(C)C)C2)C1 ZINC001393653372 912700636 /nfs/dbraw/zinc/70/06/36/912700636.db2.gz NINZFMMUVGJLRD-UHFFFAOYSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccccn1 ZINC001393832580 912786713 /nfs/dbraw/zinc/78/67/13/912786713.db2.gz ATLSBYJOSKDJMH-ZDUSSCGKSA-N 2 2 287.367 0.963 20 0 CCADLP Cn1cnnc1[C@H]1CCC[N@@H+]1CCc1c[nH+]cn1C ZINC001324349668 912794852 /nfs/dbraw/zinc/79/48/52/912794852.db2.gz FBLLTZPBMKXSES-GFCCVEGCSA-N 2 2 260.345 0.928 20 0 CCADLP Cn1cnnc1[C@H]1CCC[N@H+]1CCc1c[nH+]cn1C ZINC001324349668 912794859 /nfs/dbraw/zinc/79/48/59/912794859.db2.gz FBLLTZPBMKXSES-GFCCVEGCSA-N 2 2 260.345 0.928 20 0 CCADLP C[C@@H]([NH2+]Cc1ccnn1C)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001393969971 912892602 /nfs/dbraw/zinc/89/26/02/912892602.db2.gz BNKHAKHBWPEWEN-MNOVXSKESA-N 2 2 290.371 0.369 20 0 CCADLP Cc1ncoc1C[NH2+][C@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001394003524 912912774 /nfs/dbraw/zinc/91/27/74/912912774.db2.gz PPJXACDKCNYGKE-MNOVXSKESA-N 2 2 291.355 0.863 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001394443919 913175332 /nfs/dbraw/zinc/17/53/32/913175332.db2.gz PZEQNDBUDZJGRD-YPMHNXCESA-N 2 2 294.399 0.814 20 0 CCADLP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1nccn1C ZINC001394566630 913264313 /nfs/dbraw/zinc/26/43/13/913264313.db2.gz MOPLHNRDQFEZJB-GFCCVEGCSA-N 2 2 290.371 0.253 20 0 CCADLP C[C@@H]1[C@H](NC(=O)CCn2cc[nH+]c2)CCC[N@@H+]1CCCO ZINC001394720934 913380291 /nfs/dbraw/zinc/38/02/91/913380291.db2.gz XYPFZXYNUKPWTL-ZIAGYGMSSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@@H]1[C@H](NC(=O)CCn2cc[nH+]c2)CCC[N@H+]1CCCO ZINC001394720934 913380304 /nfs/dbraw/zinc/38/03/04/913380304.db2.gz XYPFZXYNUKPWTL-ZIAGYGMSSA-N 2 2 294.399 0.625 20 0 CCADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)C[C@H]1CCCCO1 ZINC001481019966 892064891 /nfs/dbraw/zinc/06/48/91/892064891.db2.gz DPNLCFOYVRWSAU-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)C[C@H]1CCCCO1 ZINC001481019966 892064910 /nfs/dbraw/zinc/06/49/10/892064910.db2.gz DPNLCFOYVRWSAU-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP O=C(CC[NH+]1CCOCC1)NC[C@H]1CCC[N@H+]1CCF ZINC001481062412 892123690 /nfs/dbraw/zinc/12/36/90/892123690.db2.gz BYAXVXWLCDBTAN-CYBMUJFWSA-N 2 2 287.379 0.259 20 0 CCADLP O=C(CC[NH+]1CCOCC1)NC[C@H]1CCC[N@@H+]1CCF ZINC001481062412 892123695 /nfs/dbraw/zinc/12/36/95/892123695.db2.gz BYAXVXWLCDBTAN-CYBMUJFWSA-N 2 2 287.379 0.259 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CC[N@H+](CCF)C1 ZINC001481122074 892196771 /nfs/dbraw/zinc/19/67/71/892196771.db2.gz JELFDJDCMLZZSX-GFCCVEGCSA-N 2 2 282.363 0.760 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CC[N@@H+](CCF)C1 ZINC001481122074 892196778 /nfs/dbraw/zinc/19/67/78/892196778.db2.gz JELFDJDCMLZZSX-GFCCVEGCSA-N 2 2 282.363 0.760 20 0 CCADLP Cc1nnc(C[NH2+]CCN(C)C(=O)[C@H]2CCCC[N@@H+]2C)[nH]1 ZINC001481246910 892427853 /nfs/dbraw/zinc/42/78/53/892427853.db2.gz CCKRZAXQTDDYPF-GFCCVEGCSA-N 2 2 294.403 0.145 20 0 CCADLP Cc1nnc(C[NH2+]CCN(C)C(=O)[C@H]2CCCC[N@H+]2C)[nH]1 ZINC001481246910 892427855 /nfs/dbraw/zinc/42/78/55/892427855.db2.gz CCKRZAXQTDDYPF-GFCCVEGCSA-N 2 2 294.403 0.145 20 0 CCADLP COCCC[NH2+]CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001481284981 892523198 /nfs/dbraw/zinc/52/31/98/892523198.db2.gz NYRXAUJCNABTBR-UHFFFAOYSA-N 2 2 254.334 0.037 20 0 CCADLP Cc1nc(C[NH2+]CCN(C)C(=O)C[NH+]2CCCC2)oc1C ZINC001481314534 892566472 /nfs/dbraw/zinc/56/64/72/892566472.db2.gz HMQQKRAEQYLROT-UHFFFAOYSA-N 2 2 294.399 0.935 20 0 CCADLP C[C@H]([NH2+]CCO)[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001496449586 892927083 /nfs/dbraw/zinc/92/70/83/892927083.db2.gz XTPBGGJDHMFSBT-QWHCGFSZSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H]([NH2+]CCO)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001496449586 892927096 /nfs/dbraw/zinc/92/70/96/892927096.db2.gz XTPBGGJDHMFSBT-QWHCGFSZSA-N 2 2 294.399 0.551 20 0 CCADLP CCOCC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001481697262 893021505 /nfs/dbraw/zinc/02/15/05/893021505.db2.gz STNZVTNEGNNQMS-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP CCOCC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001481697262 893021525 /nfs/dbraw/zinc/02/15/25/893021525.db2.gz STNZVTNEGNNQMS-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP C[C@@H](CC(=O)N[C@H]1CC[N@H+](CCO)C1)n1cc[nH+]c1 ZINC001481693956 893024220 /nfs/dbraw/zinc/02/42/20/893024220.db2.gz BRFCPGOBBOPLEG-RYUDHWBXSA-N 2 2 266.345 0.017 20 0 CCADLP C[C@@H](CC(=O)N[C@H]1CC[N@@H+](CCO)C1)n1cc[nH+]c1 ZINC001481693956 893024240 /nfs/dbraw/zinc/02/42/40/893024240.db2.gz BRFCPGOBBOPLEG-RYUDHWBXSA-N 2 2 266.345 0.017 20 0 CCADLP COCC[NH2+]CC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001326059983 913726746 /nfs/dbraw/zinc/72/67/46/913726746.db2.gz HFFJIRIOZWJQDM-ZDUSSCGKSA-N 2 2 294.399 0.437 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC1CC[NH+](CCCO)CC1 ZINC001482051292 893332162 /nfs/dbraw/zinc/33/21/62/893332162.db2.gz WLOOEEQKGAJOOU-UHFFFAOYSA-N 2 2 294.399 0.553 20 0 CCADLP COCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001284243955 893486646 /nfs/dbraw/zinc/48/66/46/893486646.db2.gz PXDPARLZSRVOPP-CHWSQXEVSA-N 2 2 294.399 0.782 20 0 CCADLP CC(=O)[C@@](C)(O)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001363201834 893700656 /nfs/dbraw/zinc/70/06/56/893700656.db2.gz BYKOZNAFCICGSW-CABCVRRESA-N 2 2 283.416 0.038 20 0 CCADLP CC(=O)[C@@](C)(O)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC001363201834 893700661 /nfs/dbraw/zinc/70/06/61/893700661.db2.gz BYKOZNAFCICGSW-CABCVRRESA-N 2 2 283.416 0.038 20 0 CCADLP Cc1nnc(C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C)o1 ZINC001482326987 893875699 /nfs/dbraw/zinc/87/56/99/893875699.db2.gz XDZPCSJKGLFIST-SNVBAGLBSA-N 2 2 283.376 0.266 20 0 CCADLP Cc1oncc1C[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001482375560 893931711 /nfs/dbraw/zinc/93/17/11/893931711.db2.gz REXDYFBSVKYXHY-NSHDSACASA-N 2 2 291.355 0.816 20 0 CCADLP CC(C)[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]C[C@@H](C)O ZINC001482559893 894241979 /nfs/dbraw/zinc/24/19/79/894241979.db2.gz AREJUCGXBDIETA-GHMZBOCLSA-N 2 2 268.361 0.063 20 0 CCADLP C[C@H](CC[NH2+]CCF)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001482845245 894644127 /nfs/dbraw/zinc/64/41/27/894644127.db2.gz JZXQELAMOKFDME-VXGBXAGGSA-N 2 2 282.363 0.899 20 0 CCADLP CCN(CC[NH2+]CCO)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001482963308 894731831 /nfs/dbraw/zinc/73/18/31/894731831.db2.gz ITDXDTPQRPELJS-UHFFFAOYSA-N 2 2 268.361 0.118 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC/C=C/C[NH2+]C[C@@H]1CCCCO1 ZINC001483075867 894880603 /nfs/dbraw/zinc/88/06/03/894880603.db2.gz BJEHWMRUSCMRGJ-IBUXWKBASA-N 2 2 292.383 0.783 20 0 CCADLP CO[C@@H](C)C[NH2+]CC1CC(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001409288238 894975322 /nfs/dbraw/zinc/97/53/22/894975322.db2.gz PPQMIECDXCXFTJ-PKSQDBQZSA-N 2 2 294.399 0.780 20 0 CCADLP CO[C@H](C)C[NH2+]CC1CC(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001409288257 894975432 /nfs/dbraw/zinc/97/54/32/894975432.db2.gz PPQMIECDXCXFTJ-QFWMXSHPSA-N 2 2 294.399 0.780 20 0 CCADLP C[C@H](C[NH2+]Cc1ccccn1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001483179321 895066785 /nfs/dbraw/zinc/06/67/85/895066785.db2.gz YEQPIRGATZJDRG-LLVKDONJSA-N 2 2 273.340 0.642 20 0 CCADLP C[C@H](C(=O)N1CC[NH2+]C[C@@H]1C(F)F)n1cc[nH+]c1 ZINC001326421844 913946492 /nfs/dbraw/zinc/94/64/92/913946492.db2.gz XQCDNTSUEPQEOT-RKDXNWHRSA-N 2 2 258.272 0.510 20 0 CCADLP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@H+](C)CCCO ZINC001409594877 895270008 /nfs/dbraw/zinc/27/00/08/895270008.db2.gz QSVAWFBGWFFLNG-NSHDSACASA-N 2 2 290.367 0.995 20 0 CCADLP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@@H+](C)CCCO ZINC001409594877 895270022 /nfs/dbraw/zinc/27/00/22/895270022.db2.gz QSVAWFBGWFFLNG-NSHDSACASA-N 2 2 290.367 0.995 20 0 CCADLP C[C@@H](C[NH2+]C[C@@H]1CCOC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001483278293 895409543 /nfs/dbraw/zinc/40/95/43/895409543.db2.gz YXCOGSOHWMCHOW-QWRGUYRKSA-N 2 2 266.345 0.083 20 0 CCADLP C[C@H](C[N@H+](C)C[C@H]1CCCCO1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001483391139 895530217 /nfs/dbraw/zinc/53/02/17/895530217.db2.gz NNZVKYCIMJXNFL-TZMCWYRMSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H](C[N@@H+](C)C[C@H]1CCCCO1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001483391139 895530228 /nfs/dbraw/zinc/53/02/28/895530228.db2.gz NNZVKYCIMJXNFL-TZMCWYRMSA-N 2 2 294.399 0.958 20 0 CCADLP Cc1nnc(C[NH2+]CCCN(C)C(=O)Cn2cc[nH+]c2)o1 ZINC001483513725 895623341 /nfs/dbraw/zinc/62/33/41/895623341.db2.gz TVIJACFBPLWMAC-UHFFFAOYSA-N 2 2 292.343 0.213 20 0 CCADLP O=C(N[C@@H](C[NH2+]CCF)C1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001483566984 895654077 /nfs/dbraw/zinc/65/40/77/895654077.db2.gz GWEPQUJNQHFTLY-UTUOFQBUSA-N 2 2 280.347 0.967 20 0 CCADLP C[C@H](CC(=O)NC[C@@H]1CC[N@@H+]1CCO)n1cc[nH+]c1 ZINC001483683732 895849683 /nfs/dbraw/zinc/84/96/83/895849683.db2.gz ODJIZTJHMKULFJ-NEPJUHHUSA-N 2 2 266.345 0.017 20 0 CCADLP C[C@H](CC(=O)NC[C@@H]1CC[N@H+]1CCO)n1cc[nH+]c1 ZINC001483683732 895849702 /nfs/dbraw/zinc/84/97/02/895849702.db2.gz ODJIZTJHMKULFJ-NEPJUHHUSA-N 2 2 266.345 0.017 20 0 CCADLP CNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001493710302 896009703 /nfs/dbraw/zinc/00/97/03/896009703.db2.gz ROWYIRCDHAOCCU-VXGBXAGGSA-N 2 2 295.387 0.017 20 0 CCADLP CN(C(=O)CC[NH+](C)C)C1CN(Cc2c[nH+]cn2C)C1 ZINC001483876907 896100448 /nfs/dbraw/zinc/10/04/48/896100448.db2.gz JRPKDXMPRUCSRL-UHFFFAOYSA-N 2 2 279.388 0.014 20 0 CCADLP CO[C@@H](C)C[NH+]1CCC(C)(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001483972061 896135070 /nfs/dbraw/zinc/13/50/70/896135070.db2.gz PJTMXBMGXKFWBS-LBPRGKRZSA-N 2 2 294.399 0.958 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@]1(C)CC[N@H+](CCF)C1 ZINC001484052853 896172928 /nfs/dbraw/zinc/17/29/28/896172928.db2.gz VPLAPVRMVPYYOM-CYBMUJFWSA-N 2 2 268.336 0.742 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@]1(C)CC[N@@H+](CCF)C1 ZINC001484052853 896172933 /nfs/dbraw/zinc/17/29/33/896172933.db2.gz VPLAPVRMVPYYOM-CYBMUJFWSA-N 2 2 268.336 0.742 20 0 CCADLP CCC[N@@H+]1CCC[C@@](CO)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001484436215 896405453 /nfs/dbraw/zinc/40/54/53/896405453.db2.gz CXDKLZDOUDVCRI-OAHLLOKOSA-N 2 2 294.399 0.695 20 0 CCADLP CCC[N@H+]1CCC[C@@](CO)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001484436215 896405458 /nfs/dbraw/zinc/40/54/58/896405458.db2.gz CXDKLZDOUDVCRI-OAHLLOKOSA-N 2 2 294.399 0.695 20 0 CCADLP CCC[N@@H+]1CCC[C@@](CO)(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001484436215 896405468 /nfs/dbraw/zinc/40/54/68/896405468.db2.gz CXDKLZDOUDVCRI-OAHLLOKOSA-N 2 2 294.399 0.695 20 0 CCADLP CCC[N@H+]1CCC[C@@](CO)(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001484436215 896405479 /nfs/dbraw/zinc/40/54/79/896405479.db2.gz CXDKLZDOUDVCRI-OAHLLOKOSA-N 2 2 294.399 0.695 20 0 CCADLP CC(C)CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001484705413 896550895 /nfs/dbraw/zinc/55/08/95/896550895.db2.gz RHLZAHFRRPHUHZ-CQSZACIVSA-N 2 2 294.399 0.746 20 0 CCADLP Cc1nc(NC[C@@H](C)NC(=O)COCC[NH+](C)C)cc[nH+]1 ZINC001107848236 897350230 /nfs/dbraw/zinc/35/02/30/897350230.db2.gz BRHUGUIIOAOMMW-LLVKDONJSA-N 2 2 295.387 0.280 20 0 CCADLP CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001272872787 898098107 /nfs/dbraw/zinc/09/81/07/898098107.db2.gz DHAZGQLIXVOQDG-RYUDHWBXSA-N 2 2 264.373 0.950 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3C/C=C/Cl)C1 ZINC001032781225 898179649 /nfs/dbraw/zinc/17/96/49/898179649.db2.gz OFPNGUMMVMJIIP-JHQBDZAOSA-N 2 2 283.803 0.976 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3C/C=C/Cl)C1 ZINC001032781225 898179658 /nfs/dbraw/zinc/17/96/58/898179658.db2.gz OFPNGUMMVMJIIP-JHQBDZAOSA-N 2 2 283.803 0.976 20 0 CCADLP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C/C=C/Cl)C1 ZINC001032781225 898179667 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CC(C)OCC[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001397563789 914277766 /nfs/dbraw/zinc/27/77/66/914277766.db2.gz VINCXXYCXAFNJO-CQSZACIVSA-N 2 2 294.399 0.910 20 0 CCADLP CC(C)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001410670090 899525207 /nfs/dbraw/zinc/52/52/07/899525207.db2.gz OHGJPLCXIHYXAR-OLZOCXBDSA-N 2 2 294.399 0.168 20 0 CCADLP Cc1cc(C)c(C(=O)NC[C@H](CO)[NH2+]C[C@@H](C)O)c(C)[nH+]1 ZINC001410694231 899537384 /nfs/dbraw/zinc/53/73/84/899537384.db2.gz DZSMEJAWTLQKCS-DGCLKSJQSA-N 2 2 295.383 0.068 20 0 CCADLP CC(C)C[NH2+][C@H](CO)CNC(=O)c1cccc2[nH+]ccn21 ZINC001410695636 899540123 /nfs/dbraw/zinc/54/01/23/899540123.db2.gz JGTDGQOXPUZKMH-LBPRGKRZSA-N 2 2 290.367 0.671 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CCOCC(F)(F)F ZINC001134400715 899834818 /nfs/dbraw/zinc/83/48/18/899834818.db2.gz OTRHTYNZRBPOEM-UHFFFAOYSA-N 2 2 294.277 0.237 20 0 CCADLP C[C@H](CCCC[NH2+]CCO)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001175643741 899967852 /nfs/dbraw/zinc/96/78/52/899967852.db2.gz GDVHZBYMSWEHLU-CHWSQXEVSA-N 2 2 296.415 0.845 20 0 CCADLP C[C@H](CCCC[NH2+]CCO)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001175643741 899967861 /nfs/dbraw/zinc/96/78/61/899967861.db2.gz GDVHZBYMSWEHLU-CHWSQXEVSA-N 2 2 296.415 0.845 20 0 CCADLP CO[C@@H](C)C[N@H+](C)CCCNC(=O)Cc1c[nH+]cn1C ZINC001490270840 900582940 /nfs/dbraw/zinc/58/29/40/900582940.db2.gz VXVRQKWBSBYYSM-LBPRGKRZSA-N 2 2 282.388 0.436 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)CCCNC(=O)Cc1c[nH+]cn1C ZINC001490270840 900582953 /nfs/dbraw/zinc/58/29/53/900582953.db2.gz VXVRQKWBSBYYSM-LBPRGKRZSA-N 2 2 282.388 0.436 20 0 CCADLP COCC[NH2+][C@H](CNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001490711785 900697697 /nfs/dbraw/zinc/69/76/97/900697697.db2.gz XJNKNGQFLJUJTF-GFCCVEGCSA-N 2 2 266.345 0.083 20 0 CCADLP CO[C@@H](C)C[NH2+]C/C=C/CNC(=O)Cn1cc[nH+]c1 ZINC001274632417 900937215 /nfs/dbraw/zinc/93/72/15/900937215.db2.gz UHKRTDIWLUNVIN-PCAWENJQSA-N 2 2 266.345 0.180 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NCc2coc(C[NH+](C)C)n2)C1 ZINC001412709036 901968197 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C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]CC[C@H](C)F ZINC001495812935 903065959 /nfs/dbraw/zinc/06/59/59/903065959.db2.gz JGHZHRLEWQGGEF-RYUDHWBXSA-N 2 2 270.352 0.973 20 0 CCADLP Cc1nc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)no1 ZINC001398550422 914697660 /nfs/dbraw/zinc/69/76/60/914697660.db2.gz ALHFSJSHPUBDAL-YUSALJHKSA-N 2 2 295.387 0.628 20 0 CCADLP Cc1cnc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)nc1 ZINC001491413828 903560866 /nfs/dbraw/zinc/56/08/66/903560866.db2.gz GIQSOIAIMRMGPF-OLZOCXBDSA-N 2 2 291.399 0.474 20 0 CCADLP Cc1cnc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C)nc1 ZINC001491413828 903560871 /nfs/dbraw/zinc/56/08/71/903560871.db2.gz GIQSOIAIMRMGPF-OLZOCXBDSA-N 2 2 291.399 0.474 20 0 CCADLP CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H](OC)C1 ZINC001213555234 903836685 /nfs/dbraw/zinc/83/66/85/903836685.db2.gz CHWGVKNTPNDCTQ-MRVWCRGKSA-N 2 2 294.399 0.814 20 0 CCADLP CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H](OC)C1 ZINC001213555234 903836698 /nfs/dbraw/zinc/83/66/98/903836698.db2.gz CHWGVKNTPNDCTQ-MRVWCRGKSA-N 2 2 294.399 0.814 20 0 CCADLP CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H](OC)C1 ZINC001213555234 903836714 /nfs/dbraw/zinc/83/67/14/903836714.db2.gz CHWGVKNTPNDCTQ-MRVWCRGKSA-N 2 2 294.399 0.814 20 0 CCADLP C[C@@H](CC(=O)NC1CC(C[NH2+]CCO)C1)n1cc[nH+]c1 ZINC001282066345 904404404 /nfs/dbraw/zinc/40/44/04/904404404.db2.gz ZEIIOMCDYZQXJK-HIFPTAJRSA-N 2 2 280.372 0.311 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@H+](C)C[C@@H]1CC[C@H](C)O1 ZINC001377249552 904720857 /nfs/dbraw/zinc/72/08/57/904720857.db2.gz SOPRMXPARRBISQ-AAEUAGOBSA-N 2 2 294.399 0.876 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)[C@@H](C)C(=O)NC ZINC001377278487 904745700 /nfs/dbraw/zinc/74/57/00/904745700.db2.gz WLZZDBIIVGIXOE-STQMWFEESA-N 2 2 298.431 0.043 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)[C@@H](C)C(=O)NC ZINC001377278487 904745715 /nfs/dbraw/zinc/74/57/15/904745715.db2.gz WLZZDBIIVGIXOE-STQMWFEESA-N 2 2 298.431 0.043 20 0 CCADLP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC ZINC001377278487 904745724 /nfs/dbraw/zinc/74/57/24/904745724.db2.gz WLZZDBIIVGIXOE-STQMWFEESA-N 2 2 298.431 0.043 20 0 CCADLP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC ZINC001377278487 904745730 /nfs/dbraw/zinc/74/57/30/904745730.db2.gz WLZZDBIIVGIXOE-STQMWFEESA-N 2 2 298.431 0.043 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)C(=O)NC ZINC001377278475 904745850 /nfs/dbraw/zinc/74/58/50/904745850.db2.gz WLZZDBIIVGIXOE-OLZOCXBDSA-N 2 2 298.431 0.043 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)C(=O)NC ZINC001377278475 904745856 /nfs/dbraw/zinc/74/58/56/904745856.db2.gz WLZZDBIIVGIXOE-OLZOCXBDSA-N 2 2 298.431 0.043 20 0 CCADLP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@H+](C)[C@H](C)C(=O)NC ZINC001377278475 904745869 /nfs/dbraw/zinc/74/58/69/904745869.db2.gz WLZZDBIIVGIXOE-OLZOCXBDSA-N 2 2 298.431 0.043 20 0 CCADLP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC ZINC001377278475 904745879 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0.217 20 0 CCADLP C[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001379084188 905981639 /nfs/dbraw/zinc/98/16/39/905981639.db2.gz RAFHLLKBIWKKNA-QWHCGFSZSA-N 2 2 294.399 0.217 20 0 CCADLP COC[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001379309399 906135571 /nfs/dbraw/zinc/13/55/71/906135571.db2.gz GOYJHSASVFKYJU-GHMZBOCLSA-N 2 2 282.388 0.732 20 0 CCADLP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]C[C@@H]1CCOC1 ZINC001379322647 906142442 /nfs/dbraw/zinc/14/24/42/906142442.db2.gz IBDIVVGXVMXFCD-STQMWFEESA-N 2 2 280.372 0.356 20 0 CCADLP C[C@@H]1[C@H](NC(=O)CCCn2cc[nH+]c2)CCC[N@@H+]1CCO ZINC001379657473 906417848 /nfs/dbraw/zinc/41/78/48/906417848.db2.gz RHUOYWWMPKTCPB-ZIAGYGMSSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@@H]1[C@H](NC(=O)CCCn2cc[nH+]c2)CCC[N@H+]1CCO ZINC001379657473 906417855 /nfs/dbraw/zinc/41/78/55/906417855.db2.gz RHUOYWWMPKTCPB-ZIAGYGMSSA-N 2 2 294.399 0.625 20 0 CCADLP CC[C@@H](F)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001379852384 906508468 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O=C(CCn1cc[nH+]c1)NC[C@@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001380553057 906820206 /nfs/dbraw/zinc/82/02/06/906820206.db2.gz LOGNANAKOBTGNE-HNNXBMFYSA-N 2 2 292.383 0.236 20 0 CCADLP CC(=O)NCC[NH+]1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC001380709236 906905361 /nfs/dbraw/zinc/90/53/61/906905361.db2.gz JJBNGRXGXCOCBS-AWEZNQCLSA-N 2 2 283.416 0.603 20 0 CCADLP CN(CCC[N@H+](C)C[C@@H]1CCOC1)C(=O)Cn1cc[nH+]c1 ZINC001380989847 907032375 /nfs/dbraw/zinc/03/23/75/907032375.db2.gz YQAQINDBTVEQTP-AWEZNQCLSA-N 2 2 294.399 0.700 20 0 CCADLP CN(CCC[N@@H+](C)C[C@@H]1CCOC1)C(=O)Cn1cc[nH+]c1 ZINC001380989847 907032393 /nfs/dbraw/zinc/03/23/93/907032393.db2.gz YQAQINDBTVEQTP-AWEZNQCLSA-N 2 2 294.399 0.700 20 0 CCADLP Cn1cnc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC001337806061 921294883 /nfs/dbraw/zinc/29/48/83/921294883.db2.gz PFWZDZXZZSENTJ-HZSPNIEDSA-N 2 2 264.373 0.667 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]2CCCC2)[nH]1 ZINC001381448998 907209478 /nfs/dbraw/zinc/20/94/78/907209478.db2.gz NEEARDKUAYTHQY-GHMZBOCLSA-N 2 2 294.403 0.192 20 0 CCADLP C[C@@H](CNC(=O)CCc1[nH+]ccn1C)[N@H+](C)CCCO ZINC001381554030 907287590 /nfs/dbraw/zinc/28/75/90/907287590.db2.gz FFXSSMPPHQRTJD-LBPRGKRZSA-N 2 2 282.388 0.172 20 0 CCADLP C[C@@H](CNC(=O)CCc1[nH+]ccn1C)[N@@H+](C)CCCO ZINC001381554030 907287611 /nfs/dbraw/zinc/28/76/11/907287611.db2.gz FFXSSMPPHQRTJD-LBPRGKRZSA-N 2 2 282.388 0.172 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@H+](C)CC[C@@H]1CCCO1 ZINC001381593353 907317985 /nfs/dbraw/zinc/31/79/85/907317985.db2.gz ZGZYHAFCXUOVMJ-JSGCOSHPSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@@H+](C)CC[C@@H]1CCCO1 ZINC001381593353 907318002 /nfs/dbraw/zinc/31/80/02/907318002.db2.gz ZGZYHAFCXUOVMJ-JSGCOSHPSA-N 2 2 294.399 0.958 20 0 CCADLP COCC[NH2+][C@@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001491656693 907515809 /nfs/dbraw/zinc/51/58/09/907515809.db2.gz JJZQVJHZFMJMNE-NSHDSACASA-N 2 2 268.361 0.093 20 0 CCADLP COCCCC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001491837137 907598557 /nfs/dbraw/zinc/59/85/57/907598557.db2.gz HLKYAOCMEBNIPD-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP C[C@H](NC(=O)CCn1cc[nH+]c1)C1CC[NH+](CCO)CC1 ZINC001382556727 907786388 /nfs/dbraw/zinc/78/63/88/907786388.db2.gz AIZYNOBZLUIAPX-ZDUSSCGKSA-N 2 2 294.399 0.482 20 0 CCADLP COCC[N@H+](C)CCNC(=O)CCc1[nH+]ccn1C ZINC001492352443 907866761 /nfs/dbraw/zinc/86/67/61/907866761.db2.gz ICYRXTFEZJLELN-UHFFFAOYSA-N 2 2 268.361 0.047 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)CCc1[nH+]ccn1C ZINC001492352443 907866777 /nfs/dbraw/zinc/86/67/77/907866777.db2.gz ICYRXTFEZJLELN-UHFFFAOYSA-N 2 2 268.361 0.047 20 0 CCADLP Cc1[nH]c(CNC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)c(C)[nH+]1 ZINC001303892742 908123200 /nfs/dbraw/zinc/12/32/00/908123200.db2.gz UGLXXWUXILNWSP-GWCFXTLKSA-N 2 2 266.345 0.098 20 0 CCADLP Cc1[nH]c(CNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)c(C)[nH+]1 ZINC001303892742 908123213 /nfs/dbraw/zinc/12/32/13/908123213.db2.gz UGLXXWUXILNWSP-GWCFXTLKSA-N 2 2 266.345 0.098 20 0 CCADLP C[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)Cn1cc[nH+]c1 ZINC001338463885 908211364 /nfs/dbraw/zinc/21/13/64/908211364.db2.gz XJXCAPDWIOTAFQ-ZIAGYGMSSA-N 3 2 266.389 0.566 20 0 CCADLP CC(C)[C@@H](C(=O)NCCC[N@H+](C)Cc1cnon1)[NH+](C)C ZINC001316862832 908511110 /nfs/dbraw/zinc/51/11/10/908511110.db2.gz WZPWVLLOXUYIOA-ZDUSSCGKSA-N 2 2 297.403 0.594 20 0 CCADLP CC(C)[C@@H](C(=O)NCCC[N@@H+](C)Cc1cnon1)[NH+](C)C ZINC001316862832 908511122 /nfs/dbraw/zinc/51/11/22/908511122.db2.gz WZPWVLLOXUYIOA-ZDUSSCGKSA-N 2 2 297.403 0.594 20 0 CCADLP C[C@H](O)C[N@H+](C)CCCNC(=O)CCc1c[nH+]cn1C ZINC001316864005 908542630 /nfs/dbraw/zinc/54/26/30/908542630.db2.gz VOGAJEHEAWZECY-LBPRGKRZSA-N 2 2 282.388 0.172 20 0 CCADLP C[C@H](O)C[N@@H+](C)CCCNC(=O)CCc1c[nH+]cn1C ZINC001316864005 908542652 /nfs/dbraw/zinc/54/26/52/908542652.db2.gz VOGAJEHEAWZECY-LBPRGKRZSA-N 2 2 282.388 0.172 20 0 CCADLP C[C@@H]1[NH2+]CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H]1C ZINC001340922925 908560150 /nfs/dbraw/zinc/56/01/50/908560150.db2.gz NWFDRHFOLZHCIH-NNYUYHANSA-N 2 2 262.357 0.732 20 0 CCADLP CCOCC[N@@H+]1CC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001317519272 908581629 /nfs/dbraw/zinc/58/16/29/908581629.db2.gz BSBCLYVUMJVGLY-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP CCOCC[N@H+]1CC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001317519272 908581641 /nfs/dbraw/zinc/58/16/41/908581641.db2.gz BSBCLYVUMJVGLY-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP CCOCC[N@@H+]1CC[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001317519272 908581648 /nfs/dbraw/zinc/58/16/48/908581648.db2.gz BSBCLYVUMJVGLY-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP CCOCC[N@H+]1CC[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001317519272 908581659 /nfs/dbraw/zinc/58/16/59/908581659.db2.gz BSBCLYVUMJVGLY-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP COCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001317063742 908952657 /nfs/dbraw/zinc/95/26/57/908952657.db2.gz FPBLFKWZCVXOBC-NSHDSACASA-N 2 2 266.345 0.179 20 0 CCADLP CC[C@@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001317127390 909002647 /nfs/dbraw/zinc/00/26/47/909002647.db2.gz CQOQDDKQXFFWJV-UTUOFQBUSA-N 2 2 268.336 0.868 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[C@@H]([NH2+]CCCO)C1 ZINC001317362637 909156489 /nfs/dbraw/zinc/15/64/89/909156489.db2.gz GLVJLYWRQJXHBZ-OLZOCXBDSA-N 2 2 294.399 0.660 20 0 CCADLP C[C@@H](CC(=O)NCC[N@H+](C)CCCO)n1cc[nH+]c1 ZINC001317462708 909243827 /nfs/dbraw/zinc/24/38/27/909243827.db2.gz HKLSZYJVXMXGIG-LBPRGKRZSA-N 2 2 268.361 0.265 20 0 CCADLP C[C@@H](CC(=O)NCC[N@@H+](C)CCCO)n1cc[nH+]c1 ZINC001317462708 909243839 /nfs/dbraw/zinc/24/38/39/909243839.db2.gz HKLSZYJVXMXGIG-LBPRGKRZSA-N 2 2 268.361 0.265 20 0 CCADLP C[C@H](C[NH2+]C[C@H]1CCCC[N@H+](C)C1)S(C)(=O)=O ZINC001338519752 921497979 /nfs/dbraw/zinc/49/79/79/921497979.db2.gz MVVWKRPCCJOOSQ-VXGBXAGGSA-N 2 2 262.419 0.741 20 0 CCADLP C[C@H](C[NH2+]C[C@H]1CCCC[N@@H+](C)C1)S(C)(=O)=O ZINC001338519752 921497987 /nfs/dbraw/zinc/49/79/87/921497987.db2.gz MVVWKRPCCJOOSQ-VXGBXAGGSA-N 2 2 262.419 0.741 20 0 CCADLP C[C@@H]1CCCC[C@@]1(C[NH2+]CCO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001318746260 909878753 /nfs/dbraw/zinc/87/87/53/909878753.db2.gz SBCYVXJCWCOCTB-DOMZBBRYSA-N 2 2 294.399 0.599 20 0 CCADLP CC[N@H+](C)CCC(=O)NCC[NH+](C)Cc1cc(C)no1 ZINC001492484447 910001192 /nfs/dbraw/zinc/00/11/92/910001192.db2.gz SHKPXWQHVZQXNP-UHFFFAOYSA-N 2 2 282.388 0.873 20 0 CCADLP CC[N@@H+](C)CCC(=O)NCC[NH+](C)Cc1cc(C)no1 ZINC001492484447 910001209 /nfs/dbraw/zinc/00/12/09/910001209.db2.gz SHKPXWQHVZQXNP-UHFFFAOYSA-N 2 2 282.388 0.873 20 0 CCADLP CC[NH+](C)CCC(=O)NCC[N@H+](C)Cc1cc(C)no1 ZINC001492484447 910001221 /nfs/dbraw/zinc/00/12/21/910001221.db2.gz SHKPXWQHVZQXNP-UHFFFAOYSA-N 2 2 282.388 0.873 20 0 CCADLP CC[NH+](C)CCC(=O)NCC[N@@H+](C)Cc1cc(C)no1 ZINC001492484447 910001236 /nfs/dbraw/zinc/00/12/36/910001236.db2.gz SHKPXWQHVZQXNP-UHFFFAOYSA-N 2 2 282.388 0.873 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H](CNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001389683017 910027822 /nfs/dbraw/zinc/02/78/22/910027822.db2.gz AKHFZODFQLJJJQ-FZMZJTMJSA-N 2 2 294.399 0.482 20 0 CCADLP CCC[NH2+]C[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001319269022 910062379 /nfs/dbraw/zinc/06/23/79/910062379.db2.gz FFFAXPJUQVBDGX-LLVKDONJSA-N 2 2 252.362 0.715 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001390007355 910182132 /nfs/dbraw/zinc/18/21/32/910182132.db2.gz OPAJBURTCTZBOZ-QNWHQSFQSA-N 2 2 280.372 0.452 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CC1CCOCC1 ZINC001390514582 910482558 /nfs/dbraw/zinc/48/25/58/910482558.db2.gz UZYWDOSYQMFFGM-GFCCVEGCSA-N 2 2 294.399 0.484 20 0 CCADLP CC[C@H](C(=O)N(CC)CC[NH2+]Cc1cnsn1)[NH+](C)C ZINC001320901033 910924822 /nfs/dbraw/zinc/92/48/22/910924822.db2.gz KTJSCPFWOQBDAD-GFCCVEGCSA-N 2 2 299.444 0.816 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCO)C1 ZINC001417813379 921624744 /nfs/dbraw/zinc/62/47/44/921624744.db2.gz MPPTWJHBXLSXNK-NWDGAFQWSA-N 2 2 280.372 0.127 20 0 CCADLP C[C@H](CC(=O)NCC[C@H]1CC[N@H+](CCO)C1)n1cc[nH+]c1 ZINC001391315770 911033161 /nfs/dbraw/zinc/03/31/61/911033161.db2.gz HFDDPYRMIKFOSA-KGLIPLIRSA-N 2 2 294.399 0.655 20 0 CCADLP C[C@H](CC(=O)NCC[C@H]1CC[N@@H+](CCO)C1)n1cc[nH+]c1 ZINC001391315770 911033180 /nfs/dbraw/zinc/03/31/80/911033180.db2.gz HFDDPYRMIKFOSA-KGLIPLIRSA-N 2 2 294.399 0.655 20 0 CCADLP O=C(NC/C=C/C[NH2+]CCCO)c1cccc2[nH+]ccn21 ZINC001321155649 911127179 /nfs/dbraw/zinc/12/71/79/911127179.db2.gz OPYTXMDFZHNFQM-OWOJBTEDSA-N 2 2 288.351 0.592 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCCCC[N@H+]1CCC[C@@H]1CO ZINC001339088699 921648721 /nfs/dbraw/zinc/64/87/21/921648721.db2.gz YVIZFHZZYUEQCU-CYBMUJFWSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC001339088699 921648731 /nfs/dbraw/zinc/64/87/31/921648731.db2.gz YVIZFHZZYUEQCU-CYBMUJFWSA-N 2 2 280.372 0.305 20 0 CCADLP CCC[NH2+]C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001322059073 911636449 /nfs/dbraw/zinc/63/64/49/911636449.db2.gz DALRPSORWSGQTR-NSHDSACASA-N 2 2 252.362 0.857 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@@H]2CC[N@H+]2C[C@H](C)O)c[nH+]1 ZINC001392845037 912195318 /nfs/dbraw/zinc/19/53/18/912195318.db2.gz WDTHKIJKZSWKHN-STQMWFEESA-N 2 2 294.399 0.498 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@@H]2CC[N@@H+]2C[C@H](C)O)c[nH+]1 ZINC001392845037 912195328 /nfs/dbraw/zinc/19/53/28/912195328.db2.gz WDTHKIJKZSWKHN-STQMWFEESA-N 2 2 294.399 0.498 20 0 CCADLP COCCCC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001327959950 914892048 /nfs/dbraw/zinc/89/20/48/914892048.db2.gz VCUVAZRPBJFZJZ-KGLIPLIRSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1ccc(C[NH+](C)C)o1 ZINC001417977031 921745048 /nfs/dbraw/zinc/74/50/48/921745048.db2.gz FGVYTZHCQRADQO-GFCCVEGCSA-N 2 2 295.383 0.480 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc(C[NH+](C)C)o1 ZINC001417977031 921745066 /nfs/dbraw/zinc/74/50/66/921745066.db2.gz FGVYTZHCQRADQO-GFCCVEGCSA-N 2 2 295.383 0.480 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001399229489 915084222 /nfs/dbraw/zinc/08/42/22/915084222.db2.gz FDWJRWIWFKIUEK-PWSUYJOCSA-N 2 2 280.372 0.486 20 0 CCADLP Cc1cc(C[N@@H+](C)CCNC(=O)C2(C[NH+](C)C)CC2)on1 ZINC001399564330 915235912 /nfs/dbraw/zinc/23/59/12/915235912.db2.gz AMKUPWAUGVTOGV-UHFFFAOYSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1cc(C[N@H+](C)CCNC(=O)C2(C[NH+](C)C)CC2)on1 ZINC001399564330 915235926 /nfs/dbraw/zinc/23/59/26/915235926.db2.gz AMKUPWAUGVTOGV-UHFFFAOYSA-N 2 2 294.399 0.873 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]([NH2+]CCF)C1CC1 ZINC001418002113 921755671 /nfs/dbraw/zinc/75/56/71/921755671.db2.gz SZPZDCVISMRIOA-UPJWGTAASA-N 2 2 294.374 0.978 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001399907587 915432238 /nfs/dbraw/zinc/43/22/38/915432238.db2.gz XTXMIAOLQXEGGM-KGLIPLIRSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@@H](O)C[N@H+]1CCC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001399907587 915432244 /nfs/dbraw/zinc/43/22/44/915432244.db2.gz XTXMIAOLQXEGGM-KGLIPLIRSA-N 2 2 294.399 0.625 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC1C[NH+](CCCF)C1 ZINC001400561458 915810657 /nfs/dbraw/zinc/81/06/57/915810657.db2.gz IJKHKHBNACTMIA-UHFFFAOYSA-N 2 2 282.363 0.760 20 0 CCADLP COCC[NH2+]CC(C)(C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001329357936 915836873 /nfs/dbraw/zinc/83/68/73/915836873.db2.gz GGDJPGYIDVYAKP-UHFFFAOYSA-N 2 2 282.388 0.604 20 0 CCADLP CCN(C(=O)Cc1[nH]c[nH+]c1C)[C@H]1CC[N@H+](CCO)C1 ZINC001400766023 915915121 /nfs/dbraw/zinc/91/51/21/915915121.db2.gz XSQGIXAAXPTSNS-LBPRGKRZSA-N 2 2 280.372 0.176 20 0 CCADLP CCN(C(=O)Cc1[nH]c[nH+]c1C)[C@H]1CC[N@@H+](CCO)C1 ZINC001400766023 915915130 /nfs/dbraw/zinc/91/51/30/915915130.db2.gz XSQGIXAAXPTSNS-LBPRGKRZSA-N 2 2 280.372 0.176 20 0 CCADLP C[C@H](C(=O)N[C@@H](CC[NH3+])C(F)(F)F)n1cc[nH+]c1 ZINC001329572003 916021327 /nfs/dbraw/zinc/02/13/27/916021327.db2.gz ZIGUDYPXCJFOJJ-SFYZADRCSA-N 2 2 264.251 0.840 20 0 CCADLP Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001401620395 916401135 /nfs/dbraw/zinc/40/11/35/916401135.db2.gz KSACYHGCMOHJFU-KOLCDFICSA-N 2 2 281.360 0.067 20 0 CCADLP Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001401620395 916401145 /nfs/dbraw/zinc/40/11/45/916401145.db2.gz KSACYHGCMOHJFU-KOLCDFICSA-N 2 2 281.360 0.067 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnon1)NC(=O)C1([NH+](C)C)CCC1 ZINC001401684211 916474417 /nfs/dbraw/zinc/47/44/17/916474417.db2.gz BPIUREQPGPBDTP-JTQLQIEISA-N 2 2 281.360 0.148 20 0 CCADLP O=C(NCC[NH+]1CC=CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001330206270 916476005 /nfs/dbraw/zinc/47/60/05/916476005.db2.gz IWCAIXIZRPISMA-LBPRGKRZSA-N 2 2 260.341 0.434 20 0 CCADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2C(=O)[C@@H]3CC[C@@H]3C2=O)C1 ZINC001331030591 917034738 /nfs/dbraw/zinc/03/47/38/917034738.db2.gz MLRPRPDJAVOKHD-YIYPIFLZSA-N 2 2 291.395 0.755 20 0 CCADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2C(=O)[C@@H]3CC[C@@H]3C2=O)C1 ZINC001331030591 917034751 /nfs/dbraw/zinc/03/47/51/917034751.db2.gz MLRPRPDJAVOKHD-YIYPIFLZSA-N 2 2 291.395 0.755 20 0 CCADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2CN2C(=O)[C@@H]3CC[C@@H]3C2=O)C1 ZINC001331030591 917034764 /nfs/dbraw/zinc/03/47/64/917034764.db2.gz MLRPRPDJAVOKHD-YIYPIFLZSA-N 2 2 291.395 0.755 20 0 CCADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2CN2C(=O)[C@@H]3CC[C@@H]3C2=O)C1 ZINC001331030591 917034776 /nfs/dbraw/zinc/03/47/76/917034776.db2.gz MLRPRPDJAVOKHD-YIYPIFLZSA-N 2 2 291.395 0.755 20 0 CCADLP C[NH2+]CCOCCN(C)C(=O)[C@H](C)n1cc[nH+]c1 ZINC001331058938 917055064 /nfs/dbraw/zinc/05/50/64/917055064.db2.gz QNHMFSHWSDOBFZ-NSHDSACASA-N 2 2 254.334 0.139 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H](C)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001402852805 917292079 /nfs/dbraw/zinc/29/20/79/917292079.db2.gz BMFKVAOWAFXOFQ-WDEREUQCSA-N 2 2 282.388 0.780 20 0 CCADLP C[N@H+](CCCO)C[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001402938414 917364120 /nfs/dbraw/zinc/36/41/20/917364120.db2.gz UZEODUNHBSIJJO-AWEZNQCLSA-N 2 2 294.399 0.648 20 0 CCADLP C[N@@H+](CCCO)C[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001402938414 917364132 /nfs/dbraw/zinc/36/41/32/917364132.db2.gz UZEODUNHBSIJJO-AWEZNQCLSA-N 2 2 294.399 0.648 20 0 CCADLP C[N@H+](CCCO)C[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001402938414 917364142 /nfs/dbraw/zinc/36/41/42/917364142.db2.gz UZEODUNHBSIJJO-AWEZNQCLSA-N 2 2 294.399 0.648 20 0 CCADLP C[N@@H+](CCCO)C[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001402938414 917364151 /nfs/dbraw/zinc/36/41/51/917364151.db2.gz UZEODUNHBSIJJO-AWEZNQCLSA-N 2 2 294.399 0.648 20 0 CCADLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]CCn1cccn1 ZINC001403005408 917418606 /nfs/dbraw/zinc/41/86/06/917418606.db2.gz AUVJKSDTOPOZBE-NWDGAFQWSA-N 2 2 290.371 0.332 20 0 CCADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1ccn(C)n1 ZINC001403032342 917434153 /nfs/dbraw/zinc/43/41/53/917434153.db2.gz GXLVUTDANQFHBI-NWDGAFQWSA-N 2 2 290.371 0.300 20 0 CCADLP CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001403154532 917540234 /nfs/dbraw/zinc/54/02/34/917540234.db2.gz HJHALDYLUPPKFT-OLZOCXBDSA-N 2 2 298.431 0.043 20 0 CCADLP CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001403154532 917540249 /nfs/dbraw/zinc/54/02/49/917540249.db2.gz HJHALDYLUPPKFT-OLZOCXBDSA-N 2 2 298.431 0.043 20 0 CCADLP CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001403154532 917540264 /nfs/dbraw/zinc/54/02/64/917540264.db2.gz HJHALDYLUPPKFT-OLZOCXBDSA-N 2 2 298.431 0.043 20 0 CCADLP CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001403154532 917540276 /nfs/dbraw/zinc/54/02/76/917540276.db2.gz HJHALDYLUPPKFT-OLZOCXBDSA-N 2 2 298.431 0.043 20 0 CCADLP COCCCC[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC001332065353 917836118 /nfs/dbraw/zinc/83/61/18/917836118.db2.gz RKROOBRBDOUWIX-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccnn1C ZINC001403610853 917845072 /nfs/dbraw/zinc/84/50/72/917845072.db2.gz LLQHGGSPIKCYLD-LLVKDONJSA-N 2 2 290.371 0.322 20 0 CCADLP C[N@H+](CCNC(=O)Cn1cc[nH+]c1)CC[C@@H]1CCCCO1 ZINC001403802250 918016693 /nfs/dbraw/zinc/01/66/93/918016693.db2.gz IEUFEYIBZKMQDM-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP C[N@@H+](CCNC(=O)Cn1cc[nH+]c1)CC[C@@H]1CCCCO1 ZINC001403802250 918016703 /nfs/dbraw/zinc/01/67/03/918016703.db2.gz IEUFEYIBZKMQDM-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP CC[C@@H](C)C[NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001403882332 918083205 /nfs/dbraw/zinc/08/32/05/918083205.db2.gz NHBGHMINZNHHKH-OLZOCXBDSA-N 2 2 282.388 0.338 20 0 CCADLP CN(C[C@H](O)C[N@H+](C)CCC1CC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001403904873 918107022 /nfs/dbraw/zinc/10/70/22/918107022.db2.gz VWIKDPOOQFGNRL-CYBMUJFWSA-N 2 2 294.399 0.503 20 0 CCADLP CN(C[C@H](O)C[N@@H+](C)CCC1CC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001403904873 918107033 /nfs/dbraw/zinc/10/70/33/918107033.db2.gz VWIKDPOOQFGNRL-CYBMUJFWSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC001332514627 918239591 /nfs/dbraw/zinc/23/95/91/918239591.db2.gz AIOQPXFIOISCNB-AGIUHOORSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC001332514627 918239601 /nfs/dbraw/zinc/23/96/01/918239601.db2.gz AIOQPXFIOISCNB-AGIUHOORSA-N 2 2 269.389 0.341 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[C@@H]1CC[N@@H+](CCCO)C1 ZINC001404524409 918380401 /nfs/dbraw/zinc/38/04/01/918380401.db2.gz QALNFKBRNYFRIA-GFCCVEGCSA-N 2 2 280.372 0.163 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[C@@H]1CC[N@H+](CCCO)C1 ZINC001404524409 918380415 /nfs/dbraw/zinc/38/04/15/918380415.db2.gz QALNFKBRNYFRIA-GFCCVEGCSA-N 2 2 280.372 0.163 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C[NH2+]CCO)C(C)(C)C ZINC001332872523 918499748 /nfs/dbraw/zinc/49/97/48/918499748.db2.gz CGWXSPASIPYJDY-AAEUAGOBSA-N 2 2 296.415 0.701 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C[NH2+]CCO)C(C)(C)C ZINC001332872523 918499752 /nfs/dbraw/zinc/49/97/52/918499752.db2.gz CGWXSPASIPYJDY-AAEUAGOBSA-N 2 2 296.415 0.701 20 0 CCADLP CC[C@H](C)C[N@@H+]1CCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001405914838 918976228 /nfs/dbraw/zinc/97/62/28/918976228.db2.gz VKHCNGHDRSFMMP-JSGCOSHPSA-N 2 2 294.399 0.815 20 0 CCADLP CC[C@H](C)C[N@H+]1CCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001405914838 918976243 /nfs/dbraw/zinc/97/62/43/918976243.db2.gz VKHCNGHDRSFMMP-JSGCOSHPSA-N 2 2 294.399 0.815 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(O)c(F)c1 ZINC001333837329 919199110 /nfs/dbraw/zinc/19/91/10/919199110.db2.gz CNXGNWVCKVXMDK-ZDUSSCGKSA-N 2 2 295.358 0.961 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(O)c(F)c1 ZINC001333837329 919199113 /nfs/dbraw/zinc/19/91/13/919199113.db2.gz CNXGNWVCKVXMDK-ZDUSSCGKSA-N 2 2 295.358 0.961 20 0 CCADLP C[C@@H](C[NH2+]Cc1csnn1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001406513060 919313528 /nfs/dbraw/zinc/31/35/28/919313528.db2.gz CGHCJJZOOOWYJK-JTQLQIEISA-N 2 2 297.428 0.474 20 0 CCADLP C[C@@H]1CCN(C(=O)NCc2c[nH+]cn2C)C[C@H]1C[NH3+] ZINC001334229817 919441103 /nfs/dbraw/zinc/44/11/03/919441103.db2.gz RKXOFLFMJVDYCV-GHMZBOCLSA-N 2 2 265.361 0.546 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@@H+]1CCCO ZINC001406882487 919516695 /nfs/dbraw/zinc/51/66/95/919516695.db2.gz PQJPRQUMOSAFQI-ZDUSSCGKSA-N 2 2 294.399 0.579 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@H+]1CCCO ZINC001406882487 919516706 /nfs/dbraw/zinc/51/67/06/919516706.db2.gz PQJPRQUMOSAFQI-ZDUSSCGKSA-N 2 2 294.399 0.579 20 0 CCADLP CC[C@@H](C(=O)NCC1([NH2+]Cc2ncccn2)CC1)[NH+](C)C ZINC001406960402 919555412 /nfs/dbraw/zinc/55/54/12/919555412.db2.gz AMRZPFCBXNTZPO-LBPRGKRZSA-N 2 2 291.399 0.555 20 0 CCADLP Cc1ncc(C[NH2+]C2(CNC(=O)C[NH+]3CCCC3)CC2)o1 ZINC001407017041 919572751 /nfs/dbraw/zinc/57/27/51/919572751.db2.gz YOMLJBHIJRLMJV-UHFFFAOYSA-N 2 2 292.383 0.817 20 0 CCADLP CCCC[N@@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001407352024 919716358 /nfs/dbraw/zinc/71/63/58/919716358.db2.gz NBTYPTWEHHLTBR-CQSZACIVSA-N 2 2 280.372 0.305 20 0 CCADLP CCCC[N@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001407352024 919716363 /nfs/dbraw/zinc/71/63/63/919716363.db2.gz NBTYPTWEHHLTBR-CQSZACIVSA-N 2 2 280.372 0.305 20 0 CCADLP CC[C@H](F)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001407843823 919917943 /nfs/dbraw/zinc/91/79/43/919917943.db2.gz BMNQDPROFNJWOY-QWHCGFSZSA-N 2 2 298.362 0.448 20 0 CCADLP CN1C[C@H](C[NH+]2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)OC1=O ZINC001335050135 919918726 /nfs/dbraw/zinc/91/87/26/919918726.db2.gz YFSSMNBZUHGEKP-MRVWCRGKSA-N 2 2 267.373 0.711 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC001335079115 919944755 /nfs/dbraw/zinc/94/47/55/919944755.db2.gz VCDDNRNVQKBKOH-ZDUSSCGKSA-N 2 2 262.357 0.659 20 0 CCADLP CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[C@@H](C)O ZINC001492971173 919958142 /nfs/dbraw/zinc/95/81/42/919958142.db2.gz BVCICIVQDVKPPE-IJLUTSLNSA-N 2 2 280.372 0.332 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[C@@H](C)O ZINC001492971173 919958155 /nfs/dbraw/zinc/95/81/55/919958155.db2.gz BVCICIVQDVKPPE-IJLUTSLNSA-N 2 2 280.372 0.332 20 0 CCADLP CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[C@@H](C)O ZINC001492971173 919958180 /nfs/dbraw/zinc/95/81/80/919958180.db2.gz BVCICIVQDVKPPE-IJLUTSLNSA-N 2 2 280.372 0.332 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[C@@H](C)O ZINC001492971173 919958197 /nfs/dbraw/zinc/95/81/97/919958197.db2.gz BVCICIVQDVKPPE-IJLUTSLNSA-N 2 2 280.372 0.332 20 0 CCADLP [NH3+]CCCOC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001335308411 920110424 /nfs/dbraw/zinc/11/04/24/920110424.db2.gz MYFWFHUNNDENOJ-UHFFFAOYSA-N 2 2 266.345 0.309 20 0 CCADLP COCC[N@H+](C)C[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001408340319 920157441 /nfs/dbraw/zinc/15/74/41/920157441.db2.gz ROXORLHXINCHSH-AWEZNQCLSA-N 2 2 294.399 0.842 20 0 CCADLP COCC[N@@H+](C)C[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001408340319 920157451 /nfs/dbraw/zinc/15/74/51/920157451.db2.gz ROXORLHXINCHSH-AWEZNQCLSA-N 2 2 294.399 0.842 20 0 CCADLP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC001335445385 920197503 /nfs/dbraw/zinc/19/75/03/920197503.db2.gz RPTIAWVZWRCRLT-HZPDHXFCSA-N 3 2 298.475 0.059 20 0 CCADLP CC1(C)C[NH2+]C[C@@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC001335703448 920384133 /nfs/dbraw/zinc/38/41/33/920384133.db2.gz JPSWBOINIKOGCF-NSHDSACASA-N 2 2 263.345 0.406 20 0 CCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)N1CCn2c[nH+]cc2C1 ZINC001335707298 920385246 /nfs/dbraw/zinc/38/52/46/920385246.db2.gz SXOKEZWHGKFGRT-ADEWGFFLSA-N 2 2 261.329 0.301 20 0 CCADLP COC[C@H](O)C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001335933979 920520250 /nfs/dbraw/zinc/52/02/50/920520250.db2.gz PDVQOBXMIIKQLR-VXGBXAGGSA-N 2 2 255.362 0.895 20 0 CCADLP C[NH2+]C[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001336657976 920908362 /nfs/dbraw/zinc/90/83/62/920908362.db2.gz GXWWFETWNYCOIB-GHMZBOCLSA-N 2 2 250.346 0.656 20 0 CCADLP C[NH2+]C[C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001336657976 920908377 /nfs/dbraw/zinc/90/83/77/920908377.db2.gz GXWWFETWNYCOIB-GHMZBOCLSA-N 2 2 250.346 0.656 20 0 CCADLP C[NH2+]C1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001336688137 920927916 /nfs/dbraw/zinc/92/79/16/920927916.db2.gz UYOQHIBUZMDMKE-NSHDSACASA-N 2 2 262.357 0.656 20 0 CCADLP COCn1ncc(C)c1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC001336697584 920934825 /nfs/dbraw/zinc/93/48/25/920934825.db2.gz LHLGRECMCMOYIW-RYUDHWBXSA-N 2 2 250.346 0.447 20 0 CCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001418116955 921838352 /nfs/dbraw/zinc/83/83/52/921838352.db2.gz OMCRFZRXQRZHAS-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001418116955 921838363 /nfs/dbraw/zinc/83/83/63/921838363.db2.gz OMCRFZRXQRZHAS-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001418116954 921840092 /nfs/dbraw/zinc/84/00/92/921840092.db2.gz OMCRFZRXQRZHAS-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001418116954 921840097 /nfs/dbraw/zinc/84/00/97/921840097.db2.gz OMCRFZRXQRZHAS-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP O=C(NCCCNc1cccc[nH+]1)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001340042017 921927497 /nfs/dbraw/zinc/92/74/97/921927497.db2.gz SEIOJQJWBCXDDU-DYEKYZERSA-N 2 2 274.368 0.855 20 0 CCADLP CCc1cnc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001418218013 921929575 /nfs/dbraw/zinc/92/95/75/921929575.db2.gz XZLVKHDGXYQPBK-YPMHNXCESA-N 2 2 294.399 0.926 20 0 CCADLP CCc1cnc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001418218013 921929589 /nfs/dbraw/zinc/92/95/89/921929589.db2.gz XZLVKHDGXYQPBK-YPMHNXCESA-N 2 2 294.399 0.926 20 0 CCADLP O=C(CC[N@H+]1CC[C@H](F)C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001418368443 922056982 /nfs/dbraw/zinc/05/69/82/922056982.db2.gz UDRCEDOHIBQUSB-KBPBESRZSA-N 2 2 299.390 0.353 20 0 CCADLP O=C(CC[N@@H+]1CC[C@H](F)C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001418368443 922056996 /nfs/dbraw/zinc/05/69/96/922056996.db2.gz UDRCEDOHIBQUSB-KBPBESRZSA-N 2 2 299.390 0.353 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCOCCC[NH3+] ZINC001340719390 922185872 /nfs/dbraw/zinc/18/58/72/922185872.db2.gz RDPDUUWSWFVXKO-SNVBAGLBSA-N 2 2 254.334 0.070 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCOCCC[NH3+] ZINC001340719390 922185877 /nfs/dbraw/zinc/18/58/77/922185877.db2.gz RDPDUUWSWFVXKO-SNVBAGLBSA-N 2 2 254.334 0.070 20 0 CCADLP CC[N@H+](CCNC(=O)CCc1c[nH+]cn1C)C[C@H](C)O ZINC001418571774 922271553 /nfs/dbraw/zinc/27/15/53/922271553.db2.gz BKVWOVDYXUYXIK-LBPRGKRZSA-N 2 2 282.388 0.172 20 0 CCADLP CC[N@@H+](CCNC(=O)CCc1c[nH+]cn1C)C[C@H](C)O ZINC001418571774 922271568 /nfs/dbraw/zinc/27/15/68/922271568.db2.gz BKVWOVDYXUYXIK-LBPRGKRZSA-N 2 2 282.388 0.172 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC001340942233 922286198 /nfs/dbraw/zinc/28/61/98/922286198.db2.gz BNWVEKPHKVEAEO-GXSJLCMTSA-N 2 2 250.346 0.845 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC001340942233 922286216 /nfs/dbraw/zinc/28/62/16/922286216.db2.gz BNWVEKPHKVEAEO-GXSJLCMTSA-N 2 2 250.346 0.845 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001418702415 922374950 /nfs/dbraw/zinc/37/49/50/922374950.db2.gz WZUFXQGTJSQNLJ-DRZSPHRISA-N 2 2 294.399 0.780 20 0 CCADLP C[C@@H]([NH3+])CONC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC001341216677 922385546 /nfs/dbraw/zinc/38/55/46/922385546.db2.gz BSRJRHUIJKGHCZ-LLVKDONJSA-N 2 2 274.324 0.940 20 0 CCADLP CC[C@H](C(=O)Nc1cc2n(n1)CC[NH2+]C2)[NH+](C)C ZINC001341388295 922457951 /nfs/dbraw/zinc/45/79/51/922457951.db2.gz IAPLUUIMKHAYMZ-SNVBAGLBSA-N 2 2 251.334 0.265 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[C@H]1CC[N@@H+](CCCO)C1 ZINC001418898878 922474222 /nfs/dbraw/zinc/47/42/22/922474222.db2.gz SKLNKGZHIBASIC-AWEZNQCLSA-N 2 2 294.399 0.484 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[C@H]1CC[N@H+](CCCO)C1 ZINC001418898878 922474236 /nfs/dbraw/zinc/47/42/36/922474236.db2.gz SKLNKGZHIBASIC-AWEZNQCLSA-N 2 2 294.399 0.484 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC1C[NH+](CCOC(C)C)C1 ZINC001418999855 922557592 /nfs/dbraw/zinc/55/75/92/922557592.db2.gz QEDDCSPUEBPVSL-UHFFFAOYSA-N 2 2 280.372 0.417 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)CCSCCC[NH3+] ZINC001341570278 922558691 /nfs/dbraw/zinc/55/86/91/922558691.db2.gz FVZUYQXNUZXPFZ-NSHDSACASA-N 2 2 270.402 0.860 20 0 CCADLP CC[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]C[C@H]1CCOC1 ZINC001419263037 922739971 /nfs/dbraw/zinc/73/99/71/922739971.db2.gz NUXVVGKITNAZBP-CHWSQXEVSA-N 2 2 294.399 0.484 20 0 CCADLP CC1(C)C[NH2+]C[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001342113302 922811284 /nfs/dbraw/zinc/81/12/84/922811284.db2.gz ZWNNZGMPQROHCG-GHMZBOCLSA-N 2 2 262.357 0.560 20 0 CCADLP Cc1ncc(C[NH2+]C[C@H](C)CNC(=O)Cn2cc[nH+]c2)o1 ZINC001419539581 922900466 /nfs/dbraw/zinc/90/04/66/922900466.db2.gz KHVWENMXCYELLZ-NSHDSACASA-N 2 2 291.355 0.722 20 0 CCADLP C[C@@H](CC(=O)N1CCC[C@@]([NH3+])(CO)C1)n1cc[nH+]c1 ZINC001342722066 923067478 /nfs/dbraw/zinc/06/74/78/923067478.db2.gz HAISXYDHSAOLQD-AAEUAGOBSA-N 2 2 266.345 0.146 20 0 CCADLP O=C(N[C@H]1C[NH2+]CC12CC2)[C@H]1CCn2cc[nH+]c2C1 ZINC001342866545 923116601 /nfs/dbraw/zinc/11/66/01/923116601.db2.gz VHSWYRXHLYNOOF-QWRGUYRKSA-N 2 2 260.341 0.314 20 0 CCADLP C[N@H+]1C[C@@H]2C[NH+](Cc3cnn(CCF)c3)C[C@@H]2C1 ZINC001343097256 923199914 /nfs/dbraw/zinc/19/99/14/923199914.db2.gz MXSFMVYLYMISEC-BETUJISGSA-N 2 2 252.337 0.846 20 0 CCADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3cnn(CCF)c3)C[C@@H]2C1 ZINC001343097256 923199930 /nfs/dbraw/zinc/19/99/30/923199930.db2.gz MXSFMVYLYMISEC-BETUJISGSA-N 2 2 252.337 0.846 20 0 CCADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3cnn(CCF)c3)C[C@@H]2C1 ZINC001343097256 923199945 /nfs/dbraw/zinc/19/99/45/923199945.db2.gz MXSFMVYLYMISEC-BETUJISGSA-N 2 2 252.337 0.846 20 0 CCADLP C[NH+]1C[C@@H]2C[N@H+](Cc3cnn(CCF)c3)C[C@@H]2C1 ZINC001343097256 923199957 /nfs/dbraw/zinc/19/99/57/923199957.db2.gz MXSFMVYLYMISEC-BETUJISGSA-N 2 2 252.337 0.846 20 0 CCADLP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]CC[C@H]1CCCO1 ZINC001420167961 923358822 /nfs/dbraw/zinc/35/88/22/923358822.db2.gz IQYXHELSDHRSTQ-UONOGXRCSA-N 2 2 294.399 0.937 20 0 CCADLP CC1(C)CC(C[NH2+]C[C@H](O)CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001420180742 923376286 /nfs/dbraw/zinc/37/62/86/923376286.db2.gz BFCONIHKLQGVCW-LBPRGKRZSA-N 2 2 294.399 0.455 20 0 CCADLP C[C@H](C[NH2+]Cc1ncccn1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001420308507 923529318 /nfs/dbraw/zinc/52/93/18/923529318.db2.gz FXUCXUCKMWSGGH-OLZOCXBDSA-N 2 2 291.399 0.555 20 0 CCADLP C[C@H](C[NH2+]Cc1ncccn1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001420308507 923529332 /nfs/dbraw/zinc/52/93/32/923529332.db2.gz FXUCXUCKMWSGGH-OLZOCXBDSA-N 2 2 291.399 0.555 20 0 CCADLP C[C@H](C[NH2+]C[C@H]1CCOC1)NC(=O)CCCn1cc[nH+]c1 ZINC001420386369 923605005 /nfs/dbraw/zinc/60/50/05/923605005.db2.gz IFJNIEZJNAVDIF-ZIAGYGMSSA-N 2 2 294.399 0.794 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC001344624075 923655766 /nfs/dbraw/zinc/65/57/66/923655766.db2.gz NVPIUYGUBZTMSL-AXFHLTTASA-N 2 2 250.346 0.560 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC001344624075 923655771 /nfs/dbraw/zinc/65/57/71/923655771.db2.gz NVPIUYGUBZTMSL-AXFHLTTASA-N 2 2 250.346 0.560 20 0 CCADLP CC[N@H+](CCNC(=O)Cc1c[nH+]cn1C)C[C@@H](C)OC ZINC001420439447 923662122 /nfs/dbraw/zinc/66/21/22/923662122.db2.gz PTASXDDVRGOMRH-GFCCVEGCSA-N 2 2 282.388 0.436 20 0 CCADLP CC[N@@H+](CCNC(=O)Cc1c[nH+]cn1C)C[C@@H](C)OC ZINC001420439447 923662131 /nfs/dbraw/zinc/66/21/31/923662131.db2.gz PTASXDDVRGOMRH-GFCCVEGCSA-N 2 2 282.388 0.436 20 0 CCADLP CCn1nncc1C[N@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001420613998 923822872 /nfs/dbraw/zinc/82/28/72/923822872.db2.gz GPEPSJYAZVYCEL-GFCCVEGCSA-N 2 2 296.419 0.186 20 0 CCADLP CCn1nncc1C[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001420613998 923822884 /nfs/dbraw/zinc/82/28/84/923822884.db2.gz GPEPSJYAZVYCEL-GFCCVEGCSA-N 2 2 296.419 0.186 20 0 CCADLP COC[C@H](C)[NH2+]CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001420726323 923905393 /nfs/dbraw/zinc/90/53/93/923905393.db2.gz KGKGVRAPNRYXEU-STQMWFEESA-N 2 2 282.388 0.917 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CC[N@@H+]1C[C@@H]1CCOC1 ZINC001420852316 923982497 /nfs/dbraw/zinc/98/24/97/923982497.db2.gz UFHUGZUAAGCTMA-UONOGXRCSA-N 2 2 292.383 0.500 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CC[N@H+]1C[C@@H]1CCOC1 ZINC001420852316 923982505 /nfs/dbraw/zinc/98/25/05/923982505.db2.gz UFHUGZUAAGCTMA-UONOGXRCSA-N 2 2 292.383 0.500 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CC[N@@H+]1CC1CC1 ZINC001420894727 924002497 /nfs/dbraw/zinc/00/24/97/924002497.db2.gz CDWRJGSXUNTFFI-AWEZNQCLSA-N 2 2 276.384 0.953 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CC[N@H+]1CC1CC1 ZINC001420894727 924002507 /nfs/dbraw/zinc/00/25/07/924002507.db2.gz CDWRJGSXUNTFFI-AWEZNQCLSA-N 2 2 276.384 0.953 20 0 CCADLP C[C@@H](O)C[NH+]1CCC(C)(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001421149720 924179814 /nfs/dbraw/zinc/17/98/14/924179814.db2.gz JTYWNMTXFUNFER-LLVKDONJSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H]1CC[C@H](C[NH+]2CC(CNC(=O)Cn3cc[nH+]c3)C2)O1 ZINC001421195533 924203063 /nfs/dbraw/zinc/20/30/63/924203063.db2.gz VXZLZCZKJQKSHK-TZMCWYRMSA-N 2 2 292.383 0.499 20 0 CCADLP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCCCn1cc[nH+]c1 ZINC001347650382 924503817 /nfs/dbraw/zinc/50/38/17/924503817.db2.gz PSBXEOGWXHKLNJ-UONOGXRCSA-N 2 2 291.399 0.168 20 0 CCADLP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCCCn1cc[nH+]c1 ZINC001347650382 924503821 /nfs/dbraw/zinc/50/38/21/924503821.db2.gz PSBXEOGWXHKLNJ-UONOGXRCSA-N 2 2 291.399 0.168 20 0 CCADLP COCC[C@@H]([NH3+])C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC001353063642 925719850 /nfs/dbraw/zinc/71/98/50/925719850.db2.gz NKEOHLKGTUKXIB-LLVKDONJSA-N 2 2 262.313 0.945 20 0 CCADLP CC1(C)CC[C@H](CNC(=O)C[C@H]([NH3+])C(F)F)[NH2+]C1 ZINC001354474068 926113923 /nfs/dbraw/zinc/11/39/23/926113923.db2.gz HFTRNXBGJIOLHX-BDAKNGLRSA-N 2 2 263.332 0.863 20 0 CCADLP [NH3+][C@]1(CO)CCC[N@H+](Cc2cccc3c[nH]nc32)C1 ZINC001356082915 926343029 /nfs/dbraw/zinc/34/30/29/926343029.db2.gz HPFBNHQEVCQUJR-CQSZACIVSA-N 2 2 260.341 0.849 20 0 CCADLP [NH3+][C@]1(CO)CCC[N@@H+](Cc2cccc3c[nH]nc32)C1 ZINC001356082915 926343039 /nfs/dbraw/zinc/34/30/39/926343039.db2.gz HPFBNHQEVCQUJR-CQSZACIVSA-N 2 2 260.341 0.849 20 0 CCADLP O=C(NCCCCn1cc[nH+]c1)[C@@H]1[NH2+]CC12CCOCC2 ZINC001357144973 926488962 /nfs/dbraw/zinc/48/89/62/926488962.db2.gz LJYHMTBRXXMYEV-ZDUSSCGKSA-N 2 2 292.383 0.548 20 0 CCADLP CSCC[C@H]([NH3+])CC(=O)NCc1[nH]c[nH+]c1C ZINC001357429198 926529056 /nfs/dbraw/zinc/52/90/56/926529056.db2.gz XTRIFURSAMKLTG-VIFPVBQESA-N 2 2 256.375 0.805 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC001357457024 926533669 /nfs/dbraw/zinc/53/36/69/926533669.db2.gz AIDSOFBMAWVXCT-MXWKQRLJSA-N 2 2 250.346 0.845 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC001357457024 926533678 /nfs/dbraw/zinc/53/36/78/926533678.db2.gz AIDSOFBMAWVXCT-MXWKQRLJSA-N 2 2 250.346 0.845 20 0 CCADLP C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1CC[NH3+] ZINC001357801242 926600345 /nfs/dbraw/zinc/60/03/45/926600345.db2.gz FKHBPAJBGFIUQN-MNOVXSKESA-N 2 2 250.346 0.928 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC001358111444 926640021 /nfs/dbraw/zinc/64/00/21/926640021.db2.gz MGXNYMNCPBBLFK-ZDUSSCGKSA-N 3 2 268.405 0.058 20 0 CCADLP COC(=O)[C@H]1CN(CCn2cc[nH+]c2C)CC[N@H+](C)C1 ZINC001414001676 926786995 /nfs/dbraw/zinc/78/69/95/926786995.db2.gz VDGZLOQCZPRMLO-CYBMUJFWSA-N 2 2 280.372 0.228 20 0 CCADLP COC(=O)[C@H]1CN(CCn2cc[nH+]c2C)CC[N@@H+](C)C1 ZINC001414001676 926787004 /nfs/dbraw/zinc/78/70/04/926787004.db2.gz VDGZLOQCZPRMLO-CYBMUJFWSA-N 2 2 280.372 0.228 20 0 CCADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)C[NH2+]C[C@H]1CCOC1 ZINC001421704782 926862096 /nfs/dbraw/zinc/86/20/96/926862096.db2.gz VOOVBOFOZDBQKY-QWHCGFSZSA-N 2 2 294.399 0.721 20 0 CCADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)C[NH2+]C[C@H]1CCOC1 ZINC001421704782 926862107 /nfs/dbraw/zinc/86/21/07/926862107.db2.gz VOOVBOFOZDBQKY-QWHCGFSZSA-N 2 2 294.399 0.721 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2ncccn2)CC1 ZINC001422283265 927189850 /nfs/dbraw/zinc/18/98/50/927189850.db2.gz PYCOENMMTICKQC-CQSZACIVSA-N 2 2 278.400 0.969 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2ncccn2)CC1 ZINC001422283265 927189859 /nfs/dbraw/zinc/18/98/59/927189859.db2.gz PYCOENMMTICKQC-CQSZACIVSA-N 2 2 278.400 0.969 20 0 CCADLP C[C@@H](C[NH2+]Cc1nncs1)NC(=O)C[N@H+](C)C1CCC1 ZINC001422661080 927442235 /nfs/dbraw/zinc/44/22/35/927442235.db2.gz PCSOUKUOTUUTEL-JTQLQIEISA-N 2 2 297.428 0.617 20 0 CCADLP C[C@@H](C[NH2+]Cc1nncs1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001422661080 927442242 /nfs/dbraw/zinc/44/22/42/927442242.db2.gz PCSOUKUOTUUTEL-JTQLQIEISA-N 2 2 297.428 0.617 20 0 CCADLP C[C@H](O)CCC[NH+]1CC([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001422742276 927484888 /nfs/dbraw/zinc/48/48/88/927484888.db2.gz UXLDKWDWURCVCK-RYUDHWBXSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)Cc1cnnn1C ZINC001422920555 927592823 /nfs/dbraw/zinc/59/28/23/927592823.db2.gz SPHXWRVBGIIRTE-GFCCVEGCSA-N 2 2 296.419 0.092 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@@H+](C)Cc1cnnn1C ZINC001422920555 927592827 /nfs/dbraw/zinc/59/28/27/927592827.db2.gz SPHXWRVBGIIRTE-GFCCVEGCSA-N 2 2 296.419 0.092 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)Cc1cnnn1C ZINC001422920555 927592832 /nfs/dbraw/zinc/59/28/32/927592832.db2.gz SPHXWRVBGIIRTE-GFCCVEGCSA-N 2 2 296.419 0.092 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)Cc1cnnn1C ZINC001422920555 927592842 /nfs/dbraw/zinc/59/28/42/927592842.db2.gz SPHXWRVBGIIRTE-GFCCVEGCSA-N 2 2 296.419 0.092 20 0 CCADLP CC[NH+]1CCN(CCC(=O)N2CC[N@H+](C)[C@H](C)C2)CC1 ZINC001362147885 927666750 /nfs/dbraw/zinc/66/67/50/927666750.db2.gz MKOFYMPXGPITBR-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP CC[NH+]1CCN(CCC(=O)N2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC001362147885 927666755 /nfs/dbraw/zinc/66/67/55/927666755.db2.gz MKOFYMPXGPITBR-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP CCN1CC[NH+](CCC(=O)N2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC001362147885 927666768 /nfs/dbraw/zinc/66/67/68/927666768.db2.gz MKOFYMPXGPITBR-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cccnc1 ZINC001423131012 927687567 /nfs/dbraw/zinc/68/75/67/927687567.db2.gz HDRVILWQJROKNO-GFCCVEGCSA-N 2 2 287.367 0.984 20 0 CCADLP CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1nonc1C)[NH+](C)C ZINC001423134987 927687883 /nfs/dbraw/zinc/68/78/83/927687883.db2.gz SPTJFQBGKBLGND-GWCFXTLKSA-N 2 2 297.403 0.655 20 0 CCADLP C[C@H]1CC[C@H](C[NH2+]C2(CNC(=O)Cn3cc[nH+]c3)CC2)O1 ZINC001423313761 927806044 /nfs/dbraw/zinc/80/60/44/927806044.db2.gz UYBFGTNEVKDNNK-QWHCGFSZSA-N 2 2 292.383 0.689 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001423506992 927897606 /nfs/dbraw/zinc/89/76/06/927897606.db2.gz RXGHTYBPHONWSM-JHJVBQTASA-N 2 2 294.399 0.673 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001423506992 927897618 /nfs/dbraw/zinc/89/76/18/927897618.db2.gz RXGHTYBPHONWSM-JHJVBQTASA-N 2 2 294.399 0.673 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001423506992 927897630 /nfs/dbraw/zinc/89/76/30/927897630.db2.gz RXGHTYBPHONWSM-JHJVBQTASA-N 2 2 294.399 0.673 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001423506992 927897642 /nfs/dbraw/zinc/89/76/42/927897642.db2.gz RXGHTYBPHONWSM-JHJVBQTASA-N 2 2 294.399 0.673 20 0 CCADLP CCC[N@@H+]1CC[C@](O)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001423775105 927977790 /nfs/dbraw/zinc/97/77/90/927977790.db2.gz LGFZSVAZITTWPY-HNNXBMFYSA-N 2 2 294.399 0.316 20 0 CCADLP CCC[N@H+]1CC[C@](O)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001423775105 927977796 /nfs/dbraw/zinc/97/77/96/927977796.db2.gz LGFZSVAZITTWPY-HNNXBMFYSA-N 2 2 294.399 0.316 20 0 CCADLP CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001424048530 928075200 /nfs/dbraw/zinc/07/52/00/928075200.db2.gz VSKYRUJREBLXTD-SWLSCSKDSA-N 2 2 294.399 0.551 20 0 CCADLP CCC[N@@H+]1CCOC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001424114495 928103216 /nfs/dbraw/zinc/10/32/16/928103216.db2.gz AXBFLLYIKUIVEG-ZDUSSCGKSA-N 2 2 280.372 0.419 20 0 CCADLP CCC[N@H+]1CCOC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001424114495 928103220 /nfs/dbraw/zinc/10/32/20/928103220.db2.gz AXBFLLYIKUIVEG-ZDUSSCGKSA-N 2 2 280.372 0.419 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001362568525 928188960 /nfs/dbraw/zinc/18/89/60/928188960.db2.gz BPRBAGOVAZCAPC-HUUCEWRRSA-N 2 2 295.427 0.651 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001362568525 928188971 /nfs/dbraw/zinc/18/89/71/928188971.db2.gz BPRBAGOVAZCAPC-HUUCEWRRSA-N 2 2 295.427 0.651 20 0 CCADLP C[C@H](CC(=O)N1CC([NH2+]C2CCOCC2)C1)n1cc[nH+]c1 ZINC001362916535 928648644 /nfs/dbraw/zinc/64/86/44/928648644.db2.gz GCAAGNBMZDSRFR-GFCCVEGCSA-N 2 2 292.383 0.814 20 0 CCADLP C[C@H]1[C@H](NC(=O)CCc2[nH+]ccn2C)CCC[N@@H+]1CCO ZINC001425926771 928706962 /nfs/dbraw/zinc/70/69/62/928706962.db2.gz IPDDODYKXXSKAK-QWHCGFSZSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@H]1[C@H](NC(=O)CCc2[nH+]ccn2C)CCC[N@H+]1CCO ZINC001425926771 928706967 /nfs/dbraw/zinc/70/69/67/928706967.db2.gz IPDDODYKXXSKAK-QWHCGFSZSA-N 2 2 294.399 0.314 20 0 CCADLP CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001426066162 928746846 /nfs/dbraw/zinc/74/68/46/928746846.db2.gz ITWGVUGTFGHTAK-OCCSQVGLSA-N 2 2 294.399 0.217 20 0 CCADLP CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001426066162 928746854 /nfs/dbraw/zinc/74/68/54/928746854.db2.gz ITWGVUGTFGHTAK-OCCSQVGLSA-N 2 2 294.399 0.217 20 0 CCADLP CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001426066129 928747450 /nfs/dbraw/zinc/74/74/50/928747450.db2.gz IPRSGWGBPJXKJL-CHWSQXEVSA-N 2 2 294.399 0.217 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001426066129 928747460 /nfs/dbraw/zinc/74/74/60/928747460.db2.gz IPRSGWGBPJXKJL-CHWSQXEVSA-N 2 2 294.399 0.217 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC001363045233 928801254 /nfs/dbraw/zinc/80/12/54/928801254.db2.gz CXHAPBWRAUDUJH-CYBMUJFWSA-N 2 2 285.432 0.801 20 0 CCADLP CCN(C(=O)CCc1c[nH]c[nH+]1)[C@H]1CC[N@H+](CCOC)C1 ZINC001443860837 929722725 /nfs/dbraw/zinc/72/27/25/929722725.db2.gz HIXQMTRJSAHNGQ-AWEZNQCLSA-N 2 2 294.399 0.912 20 0 CCADLP CCN(C(=O)CCc1c[nH]c[nH+]1)[C@H]1CC[N@@H+](CCOC)C1 ZINC001443860837 929722742 /nfs/dbraw/zinc/72/27/42/929722742.db2.gz HIXQMTRJSAHNGQ-AWEZNQCLSA-N 2 2 294.399 0.912 20 0 CCADLP CCN(C(=O)CCc1c[nH+]c[nH]1)[C@H]1CC[N@H+](CCOC)C1 ZINC001443860837 929722749 /nfs/dbraw/zinc/72/27/49/929722749.db2.gz HIXQMTRJSAHNGQ-AWEZNQCLSA-N 2 2 294.399 0.912 20 0 CCADLP CCN(C(=O)CCc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CCOC)C1 ZINC001443860837 929722763 /nfs/dbraw/zinc/72/27/63/929722763.db2.gz HIXQMTRJSAHNGQ-AWEZNQCLSA-N 2 2 294.399 0.912 20 0 CCADLP CC(C)OCC[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001372679492 929913404 /nfs/dbraw/zinc/91/34/04/929913404.db2.gz ISQSYQQYYCMFAM-CQSZACIVSA-N 2 2 294.399 0.746 20 0 CCADLP CC(C)OCC[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001372679492 929913411 /nfs/dbraw/zinc/91/34/11/929913411.db2.gz ISQSYQQYYCMFAM-CQSZACIVSA-N 2 2 294.399 0.746 20 0 CCADLP CC[C@@H](C[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]cn1C)OC ZINC001444718355 929939423 /nfs/dbraw/zinc/93/94/23/929939423.db2.gz WJVLQZIUPYNAHM-JSGCOSHPSA-N 2 2 296.415 0.824 20 0 CCADLP CC[C@H](C(=O)N(C)CC[NH2+][C@@H](C)c1nnc(C)o1)[NH+](C)C ZINC001372965824 930031561 /nfs/dbraw/zinc/03/15/61/930031561.db2.gz FHPMPVNDUSUFMO-CMPLNLGQSA-N 2 2 297.403 0.827 20 0 CCADLP C[C@H](O)CCC[NH+]1CC(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001373467461 930207448 /nfs/dbraw/zinc/20/74/48/930207448.db2.gz JNFKIVURGYTDDM-AWEZNQCLSA-N 2 2 297.443 0.680 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC1C[NH+](C[C@H]2CCCCO2)C1 ZINC001373539514 930236037 /nfs/dbraw/zinc/23/60/37/930236037.db2.gz XXKLCBGZPRVKCW-CQSZACIVSA-N 2 2 292.383 0.569 20 0 CCADLP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001446214482 930369527 /nfs/dbraw/zinc/36/95/27/930369527.db2.gz JOLUNYREXJPLEB-NEPJUHHUSA-N 2 2 292.383 0.065 20 0 CCADLP COCC[N@@H+]1CC[C@](C)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001446563754 930441424 /nfs/dbraw/zinc/44/14/24/930441424.db2.gz POUDGNONBFSWRZ-AWEZNQCLSA-N 2 2 280.372 0.488 20 0 CCADLP COCC[N@H+]1CC[C@](C)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001446563754 930441428 /nfs/dbraw/zinc/44/14/28/930441428.db2.gz POUDGNONBFSWRZ-AWEZNQCLSA-N 2 2 280.372 0.488 20 0 CCADLP C[C@]1(CNC(=O)Cc2[nH]cc[nH+]2)CCC[N@H+](CCCO)C1 ZINC001446693307 930461314 /nfs/dbraw/zinc/46/13/14/930461314.db2.gz GSKIFLMAVKGJTM-OAHLLOKOSA-N 2 2 294.399 0.553 20 0 CCADLP C[C@]1(CNC(=O)Cc2[nH]cc[nH+]2)CCC[N@@H+](CCCO)C1 ZINC001446693307 930461318 /nfs/dbraw/zinc/46/13/18/930461318.db2.gz GSKIFLMAVKGJTM-OAHLLOKOSA-N 2 2 294.399 0.553 20 0 CCADLP CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001446759880 930477595 /nfs/dbraw/zinc/47/75/95/930477595.db2.gz OFZROVPWWATLLI-GYSYKLTISA-N 2 2 278.356 0.086 20 0 CCADLP CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001446759880 930477603 /nfs/dbraw/zinc/47/76/03/930477603.db2.gz OFZROVPWWATLLI-GYSYKLTISA-N 2 2 278.356 0.086 20 0 CCADLP CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001446759880 930477609 /nfs/dbraw/zinc/47/76/09/930477609.db2.gz OFZROVPWWATLLI-GYSYKLTISA-N 2 2 278.356 0.086 20 0 CCADLP CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001446759880 930477612 /nfs/dbraw/zinc/47/76/12/930477612.db2.gz OFZROVPWWATLLI-GYSYKLTISA-N 2 2 278.356 0.086 20 0 CCADLP COC[C@H](C)[N@H+](C)CCN(C)C(=O)CCc1[nH+]ccn1C ZINC001374514810 930541171 /nfs/dbraw/zinc/54/11/71/930541171.db2.gz LDKKTUHAFJWIEV-ZDUSSCGKSA-N 2 2 296.415 0.778 20 0 CCADLP COC[C@H](C)[N@@H+](C)CCN(C)C(=O)CCc1[nH+]ccn1C ZINC001374514810 930541178 /nfs/dbraw/zinc/54/11/78/930541178.db2.gz LDKKTUHAFJWIEV-ZDUSSCGKSA-N 2 2 296.415 0.778 20 0 CCADLP Cc1noc(C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C)n1 ZINC001374849827 930690178 /nfs/dbraw/zinc/69/01/78/930690178.db2.gz QFXROXWXKGVAFG-SNVBAGLBSA-N 2 2 283.376 0.313 20 0 CCADLP Cc1noc(C[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)n1 ZINC001374849827 930690182 /nfs/dbraw/zinc/69/01/82/930690182.db2.gz QFXROXWXKGVAFG-SNVBAGLBSA-N 2 2 283.376 0.313 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccon1 ZINC001447945036 930763780 /nfs/dbraw/zinc/76/37/80/930763780.db2.gz YWMLOHJYIQCTBE-MNOVXSKESA-N 2 2 291.355 0.863 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@@H](NC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001375270182 930835037 /nfs/dbraw/zinc/83/50/37/930835037.db2.gz KSNXECAVNWSVGD-BXUZGUMPSA-N 2 2 294.399 0.482 20 0 CCADLP C[C@@H](O)CCC[N@@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001375384063 930873535 /nfs/dbraw/zinc/87/35/35/930873535.db2.gz QTRCGYNAECDWEF-OLZOCXBDSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@@H](O)CCC[N@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001375384063 930873536 /nfs/dbraw/zinc/87/35/36/930873536.db2.gz QTRCGYNAECDWEF-OLZOCXBDSA-N 2 2 280.372 0.235 20 0 CCADLP O=C(NCC1([NH2+]CCF)CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001375437062 930885993 /nfs/dbraw/zinc/88/59/93/930885993.db2.gz JIFQZGFIVPGIMR-LLVKDONJSA-N 2 2 280.347 0.653 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]Cc2cnsn2)CN1C(=O)CC[NH+](C)C ZINC001449035162 931053753 /nfs/dbraw/zinc/05/37/53/931053753.db2.gz UWODGJPZFBAMJF-WDEREUQCSA-N 2 2 297.428 0.569 20 0 CCADLP CCCC[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001449233692 931106956 /nfs/dbraw/zinc/10/69/56/931106956.db2.gz CSVKEXOKZMMYJJ-LBPRGKRZSA-N 2 2 282.388 0.503 20 0 CCADLP CCCC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001449233692 931106957 /nfs/dbraw/zinc/10/69/57/931106957.db2.gz CSVKEXOKZMMYJJ-LBPRGKRZSA-N 2 2 282.388 0.503 20 0 CCADLP C[N@H+](CCO)C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001376280557 931111886 /nfs/dbraw/zinc/11/18/86/931111886.db2.gz JOMPEHSMVKOGKQ-CQSZACIVSA-N 2 2 294.399 0.436 20 0 CCADLP C[N@@H+](CCO)C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001376280557 931111888 /nfs/dbraw/zinc/11/18/88/931111888.db2.gz JOMPEHSMVKOGKQ-CQSZACIVSA-N 2 2 294.399 0.436 20 0 CCADLP C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)[NH2+]CCO ZINC001376778841 931267262 /nfs/dbraw/zinc/26/72/62/931267262.db2.gz MCVBYRJHPOXGGE-GFCCVEGCSA-N 2 2 288.351 0.573 20 0 CCADLP Cc1noc(C[NH2+][C@@H](C)CNC(=O)C2(C[NH+](C)C)CC2)n1 ZINC001376790599 931274688 /nfs/dbraw/zinc/27/46/88/931274688.db2.gz HRNVMHUFQWHGCV-JTQLQIEISA-N 2 2 295.387 0.314 20 0 CCADLP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+]Cc1csnn1 ZINC001376835779 931297399 /nfs/dbraw/zinc/29/73/99/931297399.db2.gz AVLSWBCMDVJORL-SNVBAGLBSA-N 2 2 285.417 0.474 20 0 CCADLP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+]Cc1csnn1 ZINC001376835779 931297407 /nfs/dbraw/zinc/29/74/07/931297407.db2.gz AVLSWBCMDVJORL-SNVBAGLBSA-N 2 2 285.417 0.474 20 0 CCADLP CC[C@@H](F)C[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001376846326 931301429 /nfs/dbraw/zinc/30/14/29/931301429.db2.gz IMELUCIZMLUINQ-NEPJUHHUSA-N 2 2 298.362 0.517 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1cnon1)[NH+](C)C ZINC001376845047 931302846 /nfs/dbraw/zinc/30/28/46/931302846.db2.gz FOUSWKUUDKSHJR-ZYHUDNBSSA-N 2 2 283.376 0.250 20 0 CCADLP C[C@H](CCNC(=O)CCn1cc[nH+]c1)[NH2+]C[C@H]1CCOC1 ZINC001377058408 931371207 /nfs/dbraw/zinc/37/12/07/931371207.db2.gz XHEVQFKDOQHFDC-ZIAGYGMSSA-N 2 2 294.399 0.794 20 0 CCADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cnn(C)c1 ZINC000091662399 349471692 /nfs/dbraw/zinc/47/16/92/349471692.db2.gz ZXHFPJWCVDJRAH-YUTCNCBUSA-N 2 2 264.373 0.934 20 0 CCADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cnn(C)c1 ZINC000091662399 349471695 /nfs/dbraw/zinc/47/16/95/349471695.db2.gz ZXHFPJWCVDJRAH-YUTCNCBUSA-N 2 2 264.373 0.934 20 0 CCADLP CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000294959457 199270160 /nfs/dbraw/zinc/27/01/60/199270160.db2.gz DTVZEALKGWGFRS-NSHDSACASA-N 2 2 296.396 0.752 20 0 CCADLP CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000093175627 349529686 /nfs/dbraw/zinc/52/96/86/349529686.db2.gz XHHCPWVZNUUZFS-UONOGXRCSA-N 2 2 297.443 0.896 20 0 CCADLP CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000093175627 349529689 /nfs/dbraw/zinc/52/96/89/349529689.db2.gz XHHCPWVZNUUZFS-UONOGXRCSA-N 2 2 297.443 0.896 20 0 CCADLP COCC(=O)N1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000124947596 187162487 /nfs/dbraw/zinc/16/24/87/187162487.db2.gz VKAKWVHYSCNTLB-UHFFFAOYSA-N 2 2 280.372 0.372 20 0 CCADLP CCC(CC)[C@@H](C(=O)NCC[NH+]1CCC1)[NH+]1CCOCC1 ZINC000337600118 214175841 /nfs/dbraw/zinc/17/58/41/214175841.db2.gz RGRUBRPPTCKHMA-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000093193734 349531374 /nfs/dbraw/zinc/53/13/74/349531374.db2.gz NNHFCVUIIMFETC-ZDUSSCGKSA-N 3 2 291.399 0.363 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000093193734 349531375 /nfs/dbraw/zinc/53/13/75/349531375.db2.gz NNHFCVUIIMFETC-ZDUSSCGKSA-N 3 2 291.399 0.363 20 0 CCADLP Cc1cnc(CC[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)s1 ZINC000093208821 349531405 /nfs/dbraw/zinc/53/14/05/349531405.db2.gz VPALSFSIRCOSMT-UHFFFAOYSA-N 2 2 296.440 0.700 20 0 CCADLP Cc1cnc(CC[N@H+](C)CC(=O)N2CC[NH+](C)CC2)s1 ZINC000093208821 349531410 /nfs/dbraw/zinc/53/14/10/349531410.db2.gz VPALSFSIRCOSMT-UHFFFAOYSA-N 2 2 296.440 0.700 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000337610266 214178808 /nfs/dbraw/zinc/17/88/08/214178808.db2.gz XTJLVTKUTHVDFD-AWEZNQCLSA-N 2 2 276.384 0.896 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000337610266 214178810 /nfs/dbraw/zinc/17/88/10/214178810.db2.gz XTJLVTKUTHVDFD-AWEZNQCLSA-N 2 2 276.384 0.896 20 0 CCADLP CCOC(=O)C[N@H+](CCOC)CCn1cc[nH+]c1 ZINC000337649888 214196421 /nfs/dbraw/zinc/19/64/21/214196421.db2.gz ACMQVTWGKZNPBD-UHFFFAOYSA-N 2 2 255.318 0.395 20 0 CCADLP CCOC(=O)C[N@@H+](CCOC)CCn1cc[nH+]c1 ZINC000337649888 214196423 /nfs/dbraw/zinc/19/64/23/214196423.db2.gz ACMQVTWGKZNPBD-UHFFFAOYSA-N 2 2 255.318 0.395 20 0 CCADLP C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000125153269 187172445 /nfs/dbraw/zinc/17/24/45/187172445.db2.gz JTUXTHBTLPQTSO-LLVKDONJSA-N 2 2 271.324 0.701 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@](C)(F)C2)CC1 ZINC000336268884 290011967 /nfs/dbraw/zinc/01/19/67/290011967.db2.gz UCLGVIFAFAKVOB-ZDUSSCGKSA-N 2 2 257.353 0.584 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@](C)(F)C2)CC1 ZINC000336268884 290011969 /nfs/dbraw/zinc/01/19/69/290011969.db2.gz UCLGVIFAFAKVOB-ZDUSSCGKSA-N 2 2 257.353 0.584 20 0 CCADLP COCCCNC(=O)C[N@H+](C)CCn1cc[nH+]c1C ZINC000346355831 536559035 /nfs/dbraw/zinc/55/90/35/536559035.db2.gz IQKXUASCAZMYLU-UHFFFAOYSA-N 2 2 268.361 0.276 20 0 CCADLP COCCCNC(=O)C[N@@H+](C)CCn1cc[nH+]c1C ZINC000346355831 536559049 /nfs/dbraw/zinc/55/90/49/536559049.db2.gz IQKXUASCAZMYLU-UHFFFAOYSA-N 2 2 268.361 0.276 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@H]2CSC[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000423873119 529377725 /nfs/dbraw/zinc/37/77/25/529377725.db2.gz LAUCXLFKPPVJKO-JHJVBQTASA-N 2 2 299.440 0.218 20 0 CCADLP CN(c1[nH+]cnc2c1cnn2C)C1CC[NH+](CCO)CC1 ZINC000337939366 214321229 /nfs/dbraw/zinc/32/12/29/214321229.db2.gz YVAVGDQIXHHTAC-UHFFFAOYSA-N 2 2 290.371 0.256 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000416877534 529449032 /nfs/dbraw/zinc/44/90/32/529449032.db2.gz WPRAXOBXJZMIBZ-JTQLQIEISA-N 2 2 261.329 0.871 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449657304 529464529 /nfs/dbraw/zinc/46/45/29/529464529.db2.gz ONRFLJFNEARMDA-MXWKQRLJSA-N 2 2 275.343 0.736 20 0 CCADLP CCc1cc(NCC[NH+]2CCN(C(C)=O)CC2)cc[nH+]1 ZINC000450257128 529505803 /nfs/dbraw/zinc/50/58/03/529505803.db2.gz JSDXLIHTLCVLCL-UHFFFAOYSA-N 2 2 276.384 0.642 20 0 CCADLP CN(CC1CC[NH+](C)CC1)C(=O)NCC[NH+]1CCOCC1 ZINC000103593378 349702704 /nfs/dbraw/zinc/70/27/04/349702704.db2.gz WXEVQXDOLFNSPD-UHFFFAOYSA-N 2 2 298.431 0.302 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000492716722 529557844 /nfs/dbraw/zinc/55/78/44/529557844.db2.gz FWCONKDLLLLQCM-ZFDPJTLLSA-N 2 2 292.383 0.441 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000492716722 529557847 /nfs/dbraw/zinc/55/78/47/529557847.db2.gz FWCONKDLLLLQCM-ZFDPJTLLSA-N 2 2 292.383 0.441 20 0 CCADLP COc1cccc(CNC(=O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000107576203 349738813 /nfs/dbraw/zinc/73/88/13/349738813.db2.gz IMHAOCHVHHFUBU-ZIAGYGMSSA-N 2 2 289.379 0.463 20 0 CCADLP CC[NH+]1CCN(C(=O)CNc2cc[nH+]c(C3CC3)n2)CC1 ZINC000112554081 349781015 /nfs/dbraw/zinc/78/10/15/349781015.db2.gz VJABDJISGIAXRN-UHFFFAOYSA-N 2 2 289.383 0.930 20 0 CCADLP CNS(=O)(=O)CCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000600635964 362025596 /nfs/dbraw/zinc/02/55/96/362025596.db2.gz MZCPDABKTBSRPN-GFCCVEGCSA-N 2 2 286.401 0.459 20 0 CCADLP CNS(=O)(=O)CCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000600635964 362025600 /nfs/dbraw/zinc/02/56/00/362025600.db2.gz MZCPDABKTBSRPN-GFCCVEGCSA-N 2 2 286.401 0.459 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3cc(O)ccc3Cl)CCN2C1=O ZINC000600710691 362042026 /nfs/dbraw/zinc/04/20/26/362042026.db2.gz QIWPYXMSWPRKTK-GWCFXTLKSA-N 2 2 295.770 0.789 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3cc(O)ccc3Cl)CCN2C1=O ZINC000600710691 362042029 /nfs/dbraw/zinc/04/20/29/362042029.db2.gz QIWPYXMSWPRKTK-GWCFXTLKSA-N 2 2 295.770 0.789 20 0 CCADLP Cc1cncc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000600710672 362042421 /nfs/dbraw/zinc/04/24/21/362042421.db2.gz QCBBIBZZVHZGMF-QWHCGFSZSA-N 2 2 260.341 0.134 20 0 CCADLP Cc1cncc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000600710672 362042423 /nfs/dbraw/zinc/04/24/23/362042423.db2.gz QCBBIBZZVHZGMF-QWHCGFSZSA-N 2 2 260.341 0.134 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[NH+]2C[C@@H](C)OC[C@@H]2C)CC[N@@H+]1C ZINC000617720403 365726981 /nfs/dbraw/zinc/72/69/81/365726981.db2.gz BZYMZRHJPODVIV-REWJHTLYSA-N 2 2 283.416 0.552 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[NH+]2C[C@@H](C)OC[C@@H]2C)CC[N@H+]1C ZINC000617720403 365726984 /nfs/dbraw/zinc/72/69/84/365726984.db2.gz BZYMZRHJPODVIV-REWJHTLYSA-N 2 2 283.416 0.552 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)CC[NH+]1C ZINC000617720403 365726989 /nfs/dbraw/zinc/72/69/89/365726989.db2.gz BZYMZRHJPODVIV-REWJHTLYSA-N 2 2 283.416 0.552 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)CC[NH+]1C ZINC000617720403 365726995 /nfs/dbraw/zinc/72/69/95/365726995.db2.gz BZYMZRHJPODVIV-REWJHTLYSA-N 2 2 283.416 0.552 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000601000436 362124062 /nfs/dbraw/zinc/12/40/62/362124062.db2.gz BPXZFFQRDJQURV-BFHYXJOUSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C)[NH+]1CCOCC1 ZINC000601000436 362124064 /nfs/dbraw/zinc/12/40/64/362124064.db2.gz BPXZFFQRDJQURV-BFHYXJOUSA-N 2 2 283.416 0.696 20 0 CCADLP CCC(CC)[C@H](C(=O)NC[C@@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000342762050 282254255 /nfs/dbraw/zinc/25/42/55/282254255.db2.gz USDKGLFPIKZIBE-UKRRQHHQSA-N 2 2 297.443 0.849 20 0 CCADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCC(=O)NC(=O)NCC(F)(F)F ZINC000601329838 362227027 /nfs/dbraw/zinc/22/70/27/362227027.db2.gz MXUVWKQTJWMRRY-YUMQZZPRSA-N 2 2 296.293 0.186 20 0 CCADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCC(=O)NC(=O)NCC(F)(F)F ZINC000601329838 362227032 /nfs/dbraw/zinc/22/70/32/362227032.db2.gz MXUVWKQTJWMRRY-YUMQZZPRSA-N 2 2 296.293 0.186 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601334118 362231166 /nfs/dbraw/zinc/23/11/66/362231166.db2.gz IQYCXRAYIAABDN-NEPJUHHUSA-N 2 2 296.415 0.685 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601334118 362231173 /nfs/dbraw/zinc/23/11/73/362231173.db2.gz IQYCXRAYIAABDN-NEPJUHHUSA-N 2 2 296.415 0.685 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000113370364 349810305 /nfs/dbraw/zinc/81/03/05/349810305.db2.gz RAAKXQHDSMFATP-ZDUSSCGKSA-N 2 2 289.383 0.712 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCCOCC1 ZINC000617764088 365765455 /nfs/dbraw/zinc/76/54/55/365765455.db2.gz IKHRCFNNVUQYOC-AWEZNQCLSA-N 2 2 285.432 0.803 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCCOCC1 ZINC000617764088 365765463 /nfs/dbraw/zinc/76/54/63/365765463.db2.gz IKHRCFNNVUQYOC-AWEZNQCLSA-N 2 2 285.432 0.803 20 0 CCADLP CCOC1CC(C(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000617764141 365765937 /nfs/dbraw/zinc/76/59/37/365765937.db2.gz KPUCCCZSDHFFNQ-UHFFFAOYSA-N 2 2 285.432 0.801 20 0 CCADLP CCOC1CC(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000617764141 365765940 /nfs/dbraw/zinc/76/59/40/365765940.db2.gz KPUCCCZSDHFFNQ-UHFFFAOYSA-N 2 2 285.432 0.801 20 0 CCADLP Cn1ccc(CCC(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000617764022 365766202 /nfs/dbraw/zinc/76/62/02/365766202.db2.gz GAGFESAIPRHLJG-UHFFFAOYSA-N 2 2 295.431 0.352 20 0 CCADLP Cn1ccc(CCC(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000617764022 365766209 /nfs/dbraw/zinc/76/62/09/365766209.db2.gz GAGFESAIPRHLJG-UHFFFAOYSA-N 2 2 295.431 0.352 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@](C)(O)C1CC1 ZINC000617763956 365766714 /nfs/dbraw/zinc/76/67/14/365766714.db2.gz CUNCUQBJXQJMJA-AWEZNQCLSA-N 2 2 271.405 0.147 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@](C)(O)C1CC1 ZINC000617763956 365766719 /nfs/dbraw/zinc/76/67/19/365766719.db2.gz CUNCUQBJXQJMJA-AWEZNQCLSA-N 2 2 271.405 0.147 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)c1ccccc1 ZINC000617764247 365769419 /nfs/dbraw/zinc/76/94/19/365769419.db2.gz OZQQFFZWUJBHNC-UHFFFAOYSA-N 2 2 291.395 0.869 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)c1ccccc1 ZINC000617764247 365769424 /nfs/dbraw/zinc/76/94/24/365769424.db2.gz OZQQFFZWUJBHNC-UHFFFAOYSA-N 2 2 291.395 0.869 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCCS1 ZINC000617766346 365770489 /nfs/dbraw/zinc/77/04/89/365770489.db2.gz HCSILWAGANQZNQ-GFCCVEGCSA-N 2 2 273.446 0.882 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCCS1 ZINC000617766346 365770496 /nfs/dbraw/zinc/77/04/96/365770496.db2.gz HCSILWAGANQZNQ-GFCCVEGCSA-N 2 2 273.446 0.882 20 0 CCADLP COc1ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cn1 ZINC000617768230 365773676 /nfs/dbraw/zinc/77/36/76/365773676.db2.gz VAOICEJNUBGZCF-UHFFFAOYSA-N 2 2 294.399 0.704 20 0 CCADLP COc1ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000617768230 365773682 /nfs/dbraw/zinc/77/36/82/365773682.db2.gz VAOICEJNUBGZCF-UHFFFAOYSA-N 2 2 294.399 0.704 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1csnn1 ZINC000617767381 365774193 /nfs/dbraw/zinc/77/41/93/365774193.db2.gz RNEJNDLHXVRTMW-UHFFFAOYSA-N 2 2 271.390 0.151 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1csnn1 ZINC000617767381 365774198 /nfs/dbraw/zinc/77/41/98/365774198.db2.gz RNEJNDLHXVRTMW-UHFFFAOYSA-N 2 2 271.390 0.151 20 0 CCADLP Cc1[nH]c(=O)ccc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765579 365771322 /nfs/dbraw/zinc/77/13/22/365771322.db2.gz HRTJSLJVUYKSCH-UHFFFAOYSA-N 2 2 294.399 0.709 20 0 CCADLP Cc1[nH]c(=O)ccc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765579 365771324 /nfs/dbraw/zinc/77/13/24/365771324.db2.gz HRTJSLJVUYKSCH-UHFFFAOYSA-N 2 2 294.399 0.709 20 0 CCADLP CC[C@H]1CC[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)O1 ZINC000617765591 365771723 /nfs/dbraw/zinc/77/17/23/365771723.db2.gz IHKFJGRZUYZXDZ-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP CC[C@H]1CC[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)O1 ZINC000617765591 365771729 /nfs/dbraw/zinc/77/17/29/365771729.db2.gz IHKFJGRZUYZXDZ-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)C=Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC000492811631 529796631 /nfs/dbraw/zinc/79/66/31/529796631.db2.gz KWAGFJCXZRIENY-XFKWNRGUSA-N 2 2 260.341 0.976 20 0 CCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)C=Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC000492811631 529796632 /nfs/dbraw/zinc/79/66/32/529796632.db2.gz KWAGFJCXZRIENY-XFKWNRGUSA-N 2 2 260.341 0.976 20 0 CCADLP CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)C2([NH3+])CC2)C1 ZINC000423932199 529815422 /nfs/dbraw/zinc/81/54/22/529815422.db2.gz RYFDMIYNIRJSKT-NSHDSACASA-N 2 2 290.367 0.619 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)[C@@H]2CCC[C@@H]21 ZINC000423581389 529806541 /nfs/dbraw/zinc/80/65/41/529806541.db2.gz YYWBLWJFCTVGMC-XUXIUFHCSA-N 3 2 253.390 0.437 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)[C@@H]2CCC[C@@H]21 ZINC000423581389 529806542 /nfs/dbraw/zinc/80/65/42/529806542.db2.gz YYWBLWJFCTVGMC-XUXIUFHCSA-N 3 2 253.390 0.437 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000358253516 529809705 /nfs/dbraw/zinc/80/97/05/529809705.db2.gz NXORGXHZCQCEHD-HNNXBMFYSA-N 3 2 269.433 0.906 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000358253516 529809706 /nfs/dbraw/zinc/80/97/06/529809706.db2.gz NXORGXHZCQCEHD-HNNXBMFYSA-N 3 2 269.433 0.906 20 0 CCADLP CC(C)(C[NH3+])C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000128039273 187347936 /nfs/dbraw/zinc/34/79/36/187347936.db2.gz PCBGLMYOQDSFEZ-UHFFFAOYSA-N 2 2 276.384 0.711 20 0 CCADLP CN(C)c1ccccc1C[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414967993 282301816 /nfs/dbraw/zinc/30/18/16/282301816.db2.gz QWAQKZSBNYVSDS-AWEZNQCLSA-N 2 2 262.401 0.746 20 0 CCADLP CNC(=O)Cc1nc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cs1 ZINC000442785176 529874450 /nfs/dbraw/zinc/87/44/50/529874450.db2.gz XGHKMNJJINQRNL-VHSXEESVSA-N 2 2 282.413 0.601 20 0 CCADLP CNC(=O)Cc1nc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cs1 ZINC000442785176 529874451 /nfs/dbraw/zinc/87/44/51/529874451.db2.gz XGHKMNJJINQRNL-VHSXEESVSA-N 2 2 282.413 0.601 20 0 CCADLP C[N@H+](CCCO)C1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493714518 529893529 /nfs/dbraw/zinc/89/35/29/529893529.db2.gz ZIHKTFVTHXHEHL-ARJAWSKDSA-N 2 2 292.383 0.728 20 0 CCADLP C[N@@H+](CCCO)C1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493714518 529893531 /nfs/dbraw/zinc/89/35/31/529893531.db2.gz ZIHKTFVTHXHEHL-ARJAWSKDSA-N 2 2 292.383 0.728 20 0 CCADLP CNC(=O)[C@H](C)Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000427176035 529917673 /nfs/dbraw/zinc/91/76/73/529917673.db2.gz FYMYWNKEFJRRGB-VIFPVBQESA-N 2 2 297.322 0.757 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)C1(C[NH3+])CCCC1 ZINC000423740795 529910560 /nfs/dbraw/zinc/91/05/60/529910560.db2.gz HAOFOCRULBGCJV-UHFFFAOYSA-N 2 2 269.389 0.296 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418590938 529911095 /nfs/dbraw/zinc/91/10/95/529911095.db2.gz UJAPGGQOLBYKKH-QWHCGFSZSA-N 2 2 284.404 0.230 20 0 CCADLP COC(=O)c1ccc(C[NH2+]CCc2cn(C)c[nH+]2)n1C ZINC000602019457 362460259 /nfs/dbraw/zinc/46/02/59/362460259.db2.gz HTCBPAYAXQRBJW-UHFFFAOYSA-N 2 2 276.340 0.878 20 0 CCADLP Cc1nc(CC[NH+]2CCN(C(=O)C[NH+](C)C)CC2)cs1 ZINC000119096568 349918910 /nfs/dbraw/zinc/91/89/10/349918910.db2.gz UFAREODCJQSHJJ-UHFFFAOYSA-N 2 2 296.440 0.700 20 0 CCADLP C[C@H]1CN(C(=O)[C@H]2CCCC[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000262662619 290749102 /nfs/dbraw/zinc/74/91/02/290749102.db2.gz ZKHNFNCNIZLMJO-MJBXVCDLSA-N 2 2 281.400 0.308 20 0 CCADLP NC(=O)C1([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000361588937 232162455 /nfs/dbraw/zinc/16/24/55/232162455.db2.gz TXVLQBBIOQHBSS-UHFFFAOYSA-N 2 2 274.368 0.654 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244521 412520431 /nfs/dbraw/zinc/52/04/31/412520431.db2.gz QHIZNQWWZTYRIM-MQYQWHSLSA-N 2 2 283.416 0.695 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244521 412520435 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CCADLP CC(C)[C@H](C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000343266514 535023574 /nfs/dbraw/zinc/02/35/74/535023574.db2.gz FHPMSPOMEYQSCT-PMPSAXMXSA-N 3 2 282.476 0.798 20 0 CCADLP Cc1ccc(NCCCNC(=O)[C@@H]2C[N@H+](C)CCO2)[nH+]c1 ZINC000085383766 179045619 /nfs/dbraw/zinc/04/56/19/179045619.db2.gz ANFNBLPPNSRVDH-ZDUSSCGKSA-N 2 2 292.383 0.639 20 0 CCADLP Cc1ccc(NCCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)[nH+]c1 ZINC000085383766 179045620 /nfs/dbraw/zinc/04/56/20/179045620.db2.gz ANFNBLPPNSRVDH-ZDUSSCGKSA-N 2 2 292.383 0.639 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000339225385 215023716 /nfs/dbraw/zinc/02/37/16/215023716.db2.gz NYHJZAWEMYVWBT-LBPRGKRZSA-N 2 2 266.345 0.444 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000339225385 215023719 /nfs/dbraw/zinc/02/37/19/215023719.db2.gz NYHJZAWEMYVWBT-LBPRGKRZSA-N 2 2 266.345 0.444 20 0 CCADLP Cc1nocc1C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000339229142 215027202 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/nfs/dbraw/zinc/18/46/23/137184623.db2.gz IOVMYWGOEHUGBQ-UHFFFAOYSA-N 2 2 293.415 0.452 20 0 CCADLP Cn1cc(N2CC[C@@H]([NH2+]Cc3c[nH+]cn3C)C2=O)cn1 ZINC000344483042 137196548 /nfs/dbraw/zinc/19/65/48/137196548.db2.gz LMQZCAJLLQHDNU-GFCCVEGCSA-N 2 2 274.328 0.049 20 0 CCADLP CCC(=O)N1CC[C@H]([NH2+][C@H]2C[N@H+](CC)C[C@H]2C)C1 ZINC000344768783 137212140 /nfs/dbraw/zinc/21/21/40/137212140.db2.gz FORZPKZYYIFHQA-AGIUHOORSA-N 2 2 253.390 0.927 20 0 CCADLP CCC(=O)N1CC[C@H]([NH2+][C@H]2C[N@@H+](CC)C[C@H]2C)C1 ZINC000344768783 137212141 /nfs/dbraw/zinc/21/21/41/137212141.db2.gz FORZPKZYYIFHQA-AGIUHOORSA-N 2 2 253.390 0.927 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCC[NH2+]Cc1cccnc1 ZINC000036279318 348162509 /nfs/dbraw/zinc/16/25/09/348162509.db2.gz NYFZJTBLDJEXQX-UHFFFAOYSA-N 2 2 287.367 0.964 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccnn2CCCOC)C1 ZINC000339407540 215153243 /nfs/dbraw/zinc/15/32/43/215153243.db2.gz OWZNHKWFUCQNMI-ZDUSSCGKSA-N 2 2 266.389 0.961 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccnn2CCCOC)C1 ZINC000339407540 215153245 /nfs/dbraw/zinc/15/32/45/215153245.db2.gz OWZNHKWFUCQNMI-ZDUSSCGKSA-N 2 2 266.389 0.961 20 0 CCADLP CC[C@@H]([NH3+])C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000040770590 348242166 /nfs/dbraw/zinc/24/21/66/348242166.db2.gz LYBKZEFPGBARFB-CHWSQXEVSA-N 2 2 270.421 0.112 20 0 CCADLP CCCC[C@@H]([NH3+])C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000040805269 348242422 /nfs/dbraw/zinc/24/24/22/348242422.db2.gz CMUUBXFEZRMFJI-GFCCVEGCSA-N 2 2 271.405 0.731 20 0 CCADLP CCC[C@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000040856525 348245099 /nfs/dbraw/zinc/24/50/99/348245099.db2.gz YCRWSNAUNQKBIQ-ZDUSSCGKSA-N 2 2 292.383 0.662 20 0 CCADLP O=C(C[C@H]1CCC[NH2+]1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000042168895 348267820 /nfs/dbraw/zinc/26/78/20/348267820.db2.gz VEBPWOACLHHCLW-CQSZACIVSA-N 2 2 288.395 0.868 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000346181877 137271610 /nfs/dbraw/zinc/27/16/10/137271610.db2.gz BXRTTYINIVEVFN-TZMCWYRMSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000346181877 137271611 /nfs/dbraw/zinc/27/16/11/137271611.db2.gz BXRTTYINIVEVFN-TZMCWYRMSA-N 2 2 283.416 0.554 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+](CCC(F)(F)F)C[C@@H](O)CO ZINC000346270210 137275723 /nfs/dbraw/zinc/27/57/23/137275723.db2.gz CPQWGMLCXHPNJK-LLVKDONJSA-N 2 2 295.305 0.799 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+](CCC(F)(F)F)C[C@@H](O)CO ZINC000346270210 137275724 /nfs/dbraw/zinc/27/57/24/137275724.db2.gz CPQWGMLCXHPNJK-LLVKDONJSA-N 2 2 295.305 0.799 20 0 CCADLP Cc1cc(C[NH+]2CCN(CC(C)(C)[NH3+])CC2)on1 ZINC000346817790 137306019 /nfs/dbraw/zinc/30/60/19/137306019.db2.gz GAWHGMHYMFUDIC-UHFFFAOYSA-N 2 2 252.362 0.838 20 0 CCADLP c1cnc(N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)cn1 ZINC000346854032 137308454 /nfs/dbraw/zinc/30/84/54/137308454.db2.gz YTRHFVWTBSPNKK-CYBMUJFWSA-N 2 2 261.373 0.598 20 0 CCADLP C[NH+]1CCC([N@H+](CCO)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346852172 137308608 /nfs/dbraw/zinc/30/86/08/137308608.db2.gz WKZRFWBTODUPQV-CYBMUJFWSA-N 3 2 255.406 0.375 20 0 CCADLP C[NH+]1CCC([N@@H+](CCO)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346852172 137308609 /nfs/dbraw/zinc/30/86/09/137308609.db2.gz WKZRFWBTODUPQV-CYBMUJFWSA-N 3 2 255.406 0.375 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1c[nH]nc1C(C)(C)C ZINC000347145858 137322101 /nfs/dbraw/zinc/32/21/01/137322101.db2.gz YLEVLVWSMYDJSR-UHFFFAOYSA-N 2 2 293.415 0.571 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1c[nH]nc1C(C)(C)C ZINC000347145858 137322102 /nfs/dbraw/zinc/32/21/02/137322102.db2.gz YLEVLVWSMYDJSR-UHFFFAOYSA-N 2 2 293.415 0.571 20 0 CCADLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccn(C)n1 ZINC000349461191 137394227 /nfs/dbraw/zinc/39/42/27/137394227.db2.gz QUDQPPUZYNRLPU-GXTWGEPZSA-N 2 2 293.415 0.801 20 0 CCADLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccn(C)n1 ZINC000349461191 137394228 /nfs/dbraw/zinc/39/42/28/137394228.db2.gz QUDQPPUZYNRLPU-GXTWGEPZSA-N 2 2 293.415 0.801 20 0 CCADLP CC[NH+](CC)CCOCC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000349683506 137399578 /nfs/dbraw/zinc/39/95/78/137399578.db2.gz HPSDUNRXXGOWGR-KBPBESRZSA-N 3 2 257.422 0.885 20 0 CCADLP CC[NH+](CC)CCOCC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000349683506 137399579 /nfs/dbraw/zinc/39/95/79/137399579.db2.gz HPSDUNRXXGOWGR-KBPBESRZSA-N 3 2 257.422 0.885 20 0 CCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)CCCC[NH+]1CCOCC1 ZINC000347727412 137352981 /nfs/dbraw/zinc/35/29/81/137352981.db2.gz UFTGHDRBIBFHSR-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)CCCC[NH+]1CCOCC1 ZINC000347727412 137352982 /nfs/dbraw/zinc/35/29/82/137352982.db2.gz UFTGHDRBIBFHSR-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCN1CCOCC1(C)C ZINC000347755669 137354972 /nfs/dbraw/zinc/35/49/72/137354972.db2.gz SUTFZXFKHAJMOP-QWHCGFSZSA-N 2 2 255.406 0.637 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCN1CCOCC1(C)C ZINC000347755669 137354973 /nfs/dbraw/zinc/35/49/73/137354973.db2.gz SUTFZXFKHAJMOP-QWHCGFSZSA-N 2 2 255.406 0.637 20 0 CCADLP Cc1nc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cs1 ZINC000348045521 137370473 /nfs/dbraw/zinc/37/04/73/137370473.db2.gz QSNHQRHBDZZMKP-SNVBAGLBSA-N 2 2 282.413 0.876 20 0 CCADLP Cn1cc[nH+]c1[C@@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])c1ccccc1 ZINC000050460782 348476348 /nfs/dbraw/zinc/47/63/48/348476348.db2.gz MDTFWMDIGICUTR-AGIUHOORSA-N 2 2 270.336 0.973 20 0 CCADLP C[N@@H+]1CCC[C@@H](NC(=O)NCCNc2cccc[nH+]2)C1 ZINC000052501196 348510101 /nfs/dbraw/zinc/51/01/01/348510101.db2.gz LENTXKLZKLHCSG-GFCCVEGCSA-N 2 2 277.372 0.887 20 0 CCADLP C[N@H+]1CCC[C@@H](NC(=O)NCCNc2cccc[nH+]2)C1 ZINC000052501196 348510104 /nfs/dbraw/zinc/51/01/04/348510104.db2.gz LENTXKLZKLHCSG-GFCCVEGCSA-N 2 2 277.372 0.887 20 0 CCADLP C[C@@]1(C(=O)N2CCN(c3cccc[nH+]3)CC2)CC[NH2+]C1 ZINC000062888876 348671366 /nfs/dbraw/zinc/67/13/66/348671366.db2.gz QTRUFYLXJALBPS-OAHLLOKOSA-N 2 2 274.368 0.730 20 0 CCADLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)[C@@H]1CC[NH2+]C1 ZINC000062116294 348664801 /nfs/dbraw/zinc/66/48/01/348664801.db2.gz WLSCOLVINBWMNM-CYBMUJFWSA-N 2 2 290.367 0.144 20 0 CCADLP CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976869 348674561 /nfs/dbraw/zinc/67/45/61/348674561.db2.gz MFASGDOPMBBJBU-OLZOCXBDSA-N 2 2 269.389 0.437 20 0 CCADLP CC(C)[N@@H+]1CCCN(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000069721133 348858351 /nfs/dbraw/zinc/85/83/51/348858351.db2.gz QVVAUGADRKXDRS-UHFFFAOYSA-N 2 2 298.431 0.444 20 0 CCADLP CC(C)[N@H+]1CCCN(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000069721133 348858355 /nfs/dbraw/zinc/85/83/55/348858355.db2.gz QVVAUGADRKXDRS-UHFFFAOYSA-N 2 2 298.431 0.444 20 0 CCADLP C[C@H]([NH3+])CCC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000070316836 348884503 /nfs/dbraw/zinc/88/45/03/348884503.db2.gz KGCTXCQCYWALEJ-ZDUSSCGKSA-N 2 2 276.384 0.853 20 0 CCADLP Cn1cc[nH+]c1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000071089334 348904084 /nfs/dbraw/zinc/90/40/84/348904084.db2.gz FCAVDXRVYXHSBO-ZDUSSCGKSA-N 2 2 264.373 0.717 20 0 CCADLP CC[NH+](CC)CCNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000077826574 349122991 /nfs/dbraw/zinc/12/29/91/349122991.db2.gz ZXDIJGUEUAAPOP-CYBMUJFWSA-N 2 2 286.420 0.348 20 0 CCADLP COCC[N@@H+]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC000080948208 349234908 /nfs/dbraw/zinc/23/49/08/349234908.db2.gz JMLWLGPQZFPHEY-UHFFFAOYSA-N 2 2 250.346 0.944 20 0 CCADLP COCC[N@H+]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC000080948208 349234911 /nfs/dbraw/zinc/23/49/11/349234911.db2.gz JMLWLGPQZFPHEY-UHFFFAOYSA-N 2 2 250.346 0.944 20 0 CCADLP C[NH+](C)CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000081305271 349257412 /nfs/dbraw/zinc/25/74/12/349257412.db2.gz VKKYZGWBZGNDPE-HNNXBMFYSA-N 2 2 291.395 0.912 20 0 CCADLP C[NH+](C)CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000081305271 349257414 /nfs/dbraw/zinc/25/74/14/349257414.db2.gz VKKYZGWBZGNDPE-HNNXBMFYSA-N 2 2 291.395 0.912 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1CCOC1)C[N@@H+]1CCc2ccccc2C1 ZINC000088679626 349370366 /nfs/dbraw/zinc/37/03/66/349370366.db2.gz XJAXAVIMCRUDRV-CVEARBPZSA-N 2 2 276.380 0.784 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1CCOC1)C[N@H+]1CCc2ccccc2C1 ZINC000088679626 349370367 /nfs/dbraw/zinc/37/03/67/349370367.db2.gz XJAXAVIMCRUDRV-CVEARBPZSA-N 2 2 276.380 0.784 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089451282 349387714 /nfs/dbraw/zinc/38/77/14/349387714.db2.gz KXOHROAZXTUQMW-QJPTWQEYSA-N 2 2 250.346 0.763 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2noc3ccccc32)[C@@H](C[NH3+])C1 ZINC000120759420 350003975 /nfs/dbraw/zinc/00/39/75/350003975.db2.gz ADSCVKQGGFFHHC-NSHDSACASA-N 2 2 288.351 0.472 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2noc3ccccc32)[C@@H](C[NH3+])C1 ZINC000120759420 350003976 /nfs/dbraw/zinc/00/39/76/350003976.db2.gz ADSCVKQGGFFHHC-NSHDSACASA-N 2 2 288.351 0.472 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)CC1 ZINC000121252562 350030718 /nfs/dbraw/zinc/03/07/18/350030718.db2.gz WVLDPVUMMCPSPG-CQSZACIVSA-N 2 2 276.384 0.926 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccc[nH]2)CC1 ZINC000121252562 350030721 /nfs/dbraw/zinc/03/07/21/350030721.db2.gz WVLDPVUMMCPSPG-CQSZACIVSA-N 2 2 276.384 0.926 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](Cc2cn3cccnc3n2)CC1 ZINC000089926299 349412963 /nfs/dbraw/zinc/41/29/63/349412963.db2.gz LSJKLPYMOWVBRG-UHFFFAOYSA-N 2 2 297.366 0.785 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CCCS(C)(=O)=O ZINC000123672474 350080116 /nfs/dbraw/zinc/08/01/16/350080116.db2.gz QGALEPDCCXIQHX-LLVKDONJSA-N 2 2 250.408 0.726 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCCS(C)(=O)=O ZINC000123672474 350080117 /nfs/dbraw/zinc/08/01/17/350080117.db2.gz QGALEPDCCXIQHX-LLVKDONJSA-N 2 2 250.408 0.726 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCc2ccco2)[C@@H](C[NH3+])C1 ZINC000122589415 350066388 /nfs/dbraw/zinc/06/63/88/350066388.db2.gz FNKJQWWMNANVMH-NSHDSACASA-N 2 2 251.330 0.314 20 0 CCADLP C[N@H+]1CCN(C(=O)CCc2ccco2)[C@@H](C[NH3+])C1 ZINC000122589415 350066389 /nfs/dbraw/zinc/06/63/89/350066389.db2.gz FNKJQWWMNANVMH-NSHDSACASA-N 2 2 251.330 0.314 20 0 CCADLP Cc1ccccc1CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000122571493 350067061 /nfs/dbraw/zinc/06/70/61/350067061.db2.gz ZYLUEODGAXRPQN-CQSZACIVSA-N 2 2 261.369 0.639 20 0 CCADLP Cc1ccccc1CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000122571493 350067064 /nfs/dbraw/zinc/06/70/64/350067064.db2.gz ZYLUEODGAXRPQN-CQSZACIVSA-N 2 2 261.369 0.639 20 0 CCADLP C[NH2+]CCC[N@H+](C)CC(=O)NC(=O)NC(C)(C)C ZINC000124933411 350111237 /nfs/dbraw/zinc/11/12/37/350111237.db2.gz WZIJNYHUMXFVOA-UHFFFAOYSA-N 2 2 258.366 0.152 20 0 CCADLP C[NH2+]CCC[N@@H+](C)CC(=O)NC(=O)NC(C)(C)C ZINC000124933411 350111241 /nfs/dbraw/zinc/11/12/41/350111241.db2.gz WZIJNYHUMXFVOA-UHFFFAOYSA-N 2 2 258.366 0.152 20 0 CCADLP CN(C)c1cccc(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000124293590 350094391 /nfs/dbraw/zinc/09/43/91/350094391.db2.gz JWJORWLRJOQPRD-AWEZNQCLSA-N 2 2 276.384 0.468 20 0 CCADLP CN(C)c1cccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000124293590 350094394 /nfs/dbraw/zinc/09/43/94/350094394.db2.gz JWJORWLRJOQPRD-AWEZNQCLSA-N 2 2 276.384 0.468 20 0 CCADLP CCCNC(=O)[C@@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000124325535 350095183 /nfs/dbraw/zinc/09/51/83/350095183.db2.gz HPYGYLCJMVUAJO-GFCCVEGCSA-N 2 2 271.405 0.602 20 0 CCADLP COc1ccccc1CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000124317234 350095190 /nfs/dbraw/zinc/09/51/90/350095190.db2.gz BQWJBHCZNZOGME-ZDUSSCGKSA-N 2 2 277.368 0.339 20 0 CCADLP COc1ccccc1CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000124317234 350095194 /nfs/dbraw/zinc/09/51/94/350095194.db2.gz BQWJBHCZNZOGME-ZDUSSCGKSA-N 2 2 277.368 0.339 20 0 CCADLP C[N@@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)cc2)[C@H](C[NH3+])C1 ZINC000124454530 350098473 /nfs/dbraw/zinc/09/84/73/350098473.db2.gz KDJKGMAPUYIODW-MRXNPFEDSA-N 3 2 285.395 0.947 20 0 CCADLP C[N@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)cc2)[C@H](C[NH3+])C1 ZINC000124454530 350098479 /nfs/dbraw/zinc/09/84/79/350098479.db2.gz KDJKGMAPUYIODW-MRXNPFEDSA-N 3 2 285.395 0.947 20 0 CCADLP COCC(=O)N1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000125469964 350122087 /nfs/dbraw/zinc/12/20/87/350122087.db2.gz KNYYORKEHCHBKA-UHFFFAOYSA-N 2 2 294.399 0.762 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1)C(C)C ZINC000127214751 350164808 /nfs/dbraw/zinc/16/48/08/350164808.db2.gz KTZJUMPRWCABIC-SCDSUCTJSA-N 2 2 269.389 0.385 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1)C(C)C ZINC000127214751 350164810 /nfs/dbraw/zinc/16/48/10/350164810.db2.gz KTZJUMPRWCABIC-SCDSUCTJSA-N 2 2 269.389 0.385 20 0 CCADLP C[NH+]1CCC(O)(C[NH2+]Cc2cccc3[nH+]ccn32)CC1 ZINC000271274632 191043250 /nfs/dbraw/zinc/04/32/50/191043250.db2.gz PCTPXKAHPCZJAB-UHFFFAOYSA-N 3 2 274.368 0.881 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000091134597 180103737 /nfs/dbraw/zinc/10/37/37/180103737.db2.gz QWTNJRSAYOKRTK-QWRGUYRKSA-N 2 2 268.386 0.483 20 0 CCADLP CCCCNC(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129331757 350211061 /nfs/dbraw/zinc/21/10/61/350211061.db2.gz REOFIJSTAFOZJN-HNNXBMFYSA-N 2 2 297.443 0.947 20 0 CCADLP CCCCNC(=O)CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129331757 350211064 /nfs/dbraw/zinc/21/10/64/350211064.db2.gz REOFIJSTAFOZJN-HNNXBMFYSA-N 2 2 297.443 0.947 20 0 CCADLP C[C@@H](C(=O)NCCCn1cc[nH+]c1)[NH+]1CCSCC1 ZINC000130558879 350240419 /nfs/dbraw/zinc/24/04/19/350240419.db2.gz BMCDABXARYQDEF-LBPRGKRZSA-N 2 2 282.413 0.827 20 0 CCADLP C[C@H](O)C[NH+]1CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000413227547 233391029 /nfs/dbraw/zinc/39/10/29/233391029.db2.gz ARURQEMFLJLGDB-NSHDSACASA-N 2 2 277.372 0.554 20 0 CCADLP COCC(=O)N1CCC([NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000131224371 350268367 /nfs/dbraw/zinc/26/83/67/350268367.db2.gz DDZRDQWWUBRMKJ-JSGCOSHPSA-N 2 2 295.427 0.839 20 0 CCADLP COCC(=O)N1CCC([NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000131224371 350268369 /nfs/dbraw/zinc/26/83/69/350268369.db2.gz DDZRDQWWUBRMKJ-JSGCOSHPSA-N 2 2 295.427 0.839 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](CO)CC2)CC1 ZINC000339746367 215322675 /nfs/dbraw/zinc/32/26/75/215322675.db2.gz NWYKGPNKQSXPQC-LSDHHAIUSA-N 2 2 297.443 0.633 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](CO)CC2)CC1 ZINC000339746367 215322678 /nfs/dbraw/zinc/32/26/78/215322678.db2.gz NWYKGPNKQSXPQC-LSDHHAIUSA-N 2 2 297.443 0.633 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000151117231 350493140 /nfs/dbraw/zinc/49/31/40/350493140.db2.gz BGQHXNLXPXOMHQ-AWEZNQCLSA-N 2 2 285.432 0.753 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3nc(C)no3)C2)CC1 ZINC000107368350 186172153 /nfs/dbraw/zinc/17/21/53/186172153.db2.gz HOXIMHWXEWQYHJ-ZDUSSCGKSA-N 2 2 279.388 0.590 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3nc(C)no3)C2)CC1 ZINC000107368350 186172155 /nfs/dbraw/zinc/17/21/55/186172155.db2.gz HOXIMHWXEWQYHJ-ZDUSSCGKSA-N 2 2 279.388 0.590 20 0 CCADLP C[C@H](C[NH2+]Cc1cccc2[nH+]ccn21)S(C)(=O)=O ZINC000539858972 290902498 /nfs/dbraw/zinc/90/24/98/290902498.db2.gz NDSRFHDAWPSTSE-SNVBAGLBSA-N 2 2 267.354 0.857 20 0 CCADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)NCCCc1ccccc1 ZINC000107576539 186179591 /nfs/dbraw/zinc/17/95/91/186179591.db2.gz SCTGWIHVZZKHKZ-HZPDHXFCSA-N 2 2 287.407 0.887 20 0 CCADLP O=C(C[NH2+]C1CC1)NCC[N@@H+]1CCc2sccc2C1 ZINC000154636004 350594341 /nfs/dbraw/zinc/59/43/41/350594341.db2.gz ZBJWFNDHQDSCJF-UHFFFAOYSA-N 2 2 279.409 0.974 20 0 CCADLP O=C(C[NH2+]C1CC1)NCC[N@H+]1CCc2sccc2C1 ZINC000154636004 350594343 /nfs/dbraw/zinc/59/43/43/350594343.db2.gz ZBJWFNDHQDSCJF-UHFFFAOYSA-N 2 2 279.409 0.974 20 0 CCADLP CC[C@H](C(=O)NC[C@@H](C)Cn1cc[nH+]c1)[NH+](C)C ZINC000155361984 350616671 /nfs/dbraw/zinc/61/66/71/350616671.db2.gz DIKLWMZFRRVQIN-VXGBXAGGSA-N 2 2 252.362 0.976 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)o2)CC[N@@H+]1C ZINC000157728071 350649329 /nfs/dbraw/zinc/64/93/29/350649329.db2.gz DKTAWINDRNOUMD-ZJUUUORDSA-N 2 2 287.385 0.499 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)o2)CC[N@H+]1C ZINC000157728071 350649332 /nfs/dbraw/zinc/64/93/32/350649332.db2.gz DKTAWINDRNOUMD-ZJUUUORDSA-N 2 2 287.385 0.499 20 0 CCADLP COc1ccccc1CCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000162294034 350740542 /nfs/dbraw/zinc/74/05/42/350740542.db2.gz GKKSAICEHWLIEG-AWEZNQCLSA-N 2 2 291.395 0.729 20 0 CCADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000170793927 350862273 /nfs/dbraw/zinc/86/22/73/350862273.db2.gz USFOAPOKOCRSJA-CYBMUJFWSA-N 2 2 291.461 0.732 20 0 CCADLP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000170793927 350862275 /nfs/dbraw/zinc/86/22/75/350862275.db2.gz USFOAPOKOCRSJA-CYBMUJFWSA-N 2 2 291.461 0.732 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)[C@H]3CSC[NH2+]3)cn21 ZINC000168498194 350827623 /nfs/dbraw/zinc/82/76/23/350827623.db2.gz NPNWTRUBGVFKRT-LLVKDONJSA-N 2 2 276.365 0.921 20 0 CCADLP CC[NH+](CC)CCNC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000171695033 350928839 /nfs/dbraw/zinc/92/88/39/350928839.db2.gz SUTONNXHQLFOBA-CQSZACIVSA-N 2 2 299.463 0.263 20 0 CCADLP CC[C@@H](O)C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000172761535 351008153 /nfs/dbraw/zinc/00/81/53/351008153.db2.gz CQTPZDHROXYMCG-GFCCVEGCSA-N 2 2 250.346 0.678 20 0 CCADLP O=C(CCCC[NH+]1CCOCC1)NCCn1cc[nH+]c1 ZINC000171958933 350946932 /nfs/dbraw/zinc/94/69/32/350946932.db2.gz XKKQTFVRRIAYAS-UHFFFAOYSA-N 2 2 280.372 0.502 20 0 CCADLP COC(=O)CNC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173871734 351059160 /nfs/dbraw/zinc/05/91/60/351059160.db2.gz CIMYRTFVWVIFTJ-ZDUSSCGKSA-N 2 2 297.399 0.083 20 0 CCADLP COC(=O)CNC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173871734 351059164 /nfs/dbraw/zinc/05/91/64/351059164.db2.gz CIMYRTFVWVIFTJ-ZDUSSCGKSA-N 2 2 297.399 0.083 20 0 CCADLP C[N@H+](CCNS(C)(=O)=O)CC[C@@H]1CCCC[NH+]1C ZINC000173951721 351064636 /nfs/dbraw/zinc/06/46/36/351064636.db2.gz CBFIRRKUTPUJAB-LBPRGKRZSA-N 2 2 277.434 0.342 20 0 CCADLP C[N@@H+](CCNS(C)(=O)=O)CC[C@@H]1CCCC[NH+]1C ZINC000173951721 351064639 /nfs/dbraw/zinc/06/46/39/351064639.db2.gz CBFIRRKUTPUJAB-LBPRGKRZSA-N 2 2 277.434 0.342 20 0 CCADLP C[NH+](CCNS(C)(=O)=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000173951721 351064640 /nfs/dbraw/zinc/06/46/40/351064640.db2.gz CBFIRRKUTPUJAB-LBPRGKRZSA-N 2 2 277.434 0.342 20 0 CCADLP C[NH+](CCNS(C)(=O)=O)CC[C@@H]1CCCC[N@H+]1C ZINC000173951721 351064642 /nfs/dbraw/zinc/06/46/42/351064642.db2.gz CBFIRRKUTPUJAB-LBPRGKRZSA-N 2 2 277.434 0.342 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CCCOC2)CC1 ZINC000177133662 351194960 /nfs/dbraw/zinc/19/49/60/351194960.db2.gz KMAIFCIWUQSECP-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCOC[C@H]2CC2CCC2)CC1 ZINC000339779059 215338989 /nfs/dbraw/zinc/33/89/89/215338989.db2.gz PZWDHUQAIXZJRR-OAHLLOKOSA-N 2 2 295.427 0.651 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCOC[C@H]2CC2CCC2)CC1 ZINC000339779059 215338991 /nfs/dbraw/zinc/33/89/91/215338991.db2.gz PZWDHUQAIXZJRR-OAHLLOKOSA-N 2 2 295.427 0.651 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)C1CC[NH2+]CC1 ZINC000178762788 351244551 /nfs/dbraw/zinc/24/45/51/351244551.db2.gz REWCVGMRSJIPEG-UHFFFAOYSA-N 2 2 269.389 0.213 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)C1CC[NH2+]CC1 ZINC000178762788 351244553 /nfs/dbraw/zinc/24/45/53/351244553.db2.gz REWCVGMRSJIPEG-UHFFFAOYSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@@H]1C ZINC000177909083 351216428 /nfs/dbraw/zinc/21/64/28/351216428.db2.gz JMOSTJYWAZYBRJ-ZIAGYGMSSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@@H]1C ZINC000177909083 351216430 /nfs/dbraw/zinc/21/64/30/351216430.db2.gz JMOSTJYWAZYBRJ-ZIAGYGMSSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000181032149 351300302 /nfs/dbraw/zinc/30/03/02/351300302.db2.gz RKZQNQCPPQDAAN-TZMCWYRMSA-N 2 2 281.400 0.308 20 0 CCADLP CC(C)C[C@H](C)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181044304 351300974 /nfs/dbraw/zinc/30/09/74/351300974.db2.gz ZKZMUDQMBWSJLU-GJZGRUSLSA-N 2 2 297.443 0.944 20 0 CCADLP c1cn(CCC[N@@H+]2CC[C@H](CN3CCOCC3)C2)c[nH+]1 ZINC000183181570 351377329 /nfs/dbraw/zinc/37/73/29/351377329.db2.gz DHDNMHPTKFEWPS-HNNXBMFYSA-N 2 2 278.400 0.927 20 0 CCADLP c1cn(CCC[N@H+]2CC[C@H](CN3CCOCC3)C2)c[nH+]1 ZINC000183181570 351377330 /nfs/dbraw/zinc/37/73/30/351377330.db2.gz DHDNMHPTKFEWPS-HNNXBMFYSA-N 2 2 278.400 0.927 20 0 CCADLP CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000186393641 351493887 /nfs/dbraw/zinc/49/38/87/351493887.db2.gz XPNXDWOCMOHPJX-CABCVRRESA-N 2 2 297.443 0.944 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+]2CCC([C@@H]3CCCO3)CC2)CC1 ZINC000189243632 351660532 /nfs/dbraw/zinc/66/05/32/351660532.db2.gz DFDHKIHIGWFDOQ-HNNXBMFYSA-N 2 2 295.427 0.651 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000618554650 366046457 /nfs/dbraw/zinc/04/64/57/366046457.db2.gz WUXLIQHCIIKAQL-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000618554650 366046459 /nfs/dbraw/zinc/04/64/59/366046459.db2.gz WUXLIQHCIIKAQL-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP CC(C)CC[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000190801021 351735568 /nfs/dbraw/zinc/73/55/68/351735568.db2.gz IBVLMNUXTSOHJM-AWEZNQCLSA-N 2 2 283.416 0.555 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1cnn2ccccc12 ZINC000225330672 352002787 /nfs/dbraw/zinc/00/27/87/352002787.db2.gz DOIUGVBPRHPFKY-AWEZNQCLSA-N 2 2 273.384 0.670 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1cnn2ccccc12 ZINC000225330672 352002791 /nfs/dbraw/zinc/00/27/91/352002791.db2.gz DOIUGVBPRHPFKY-AWEZNQCLSA-N 2 2 273.384 0.670 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C2(CO)CCOCC2)n1C ZINC000230729294 352118838 /nfs/dbraw/zinc/11/88/38/352118838.db2.gz UMADDOCNBGTRSI-UHFFFAOYSA-N 2 2 268.361 0.117 20 0 CCADLP CC(C)n1cc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000232775551 352147262 /nfs/dbraw/zinc/14/72/62/352147262.db2.gz KZKGMJOVXLTLTL-ZDUSSCGKSA-N 2 2 251.378 0.539 20 0 CCADLP CC(C)n1cc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000232775551 352147265 /nfs/dbraw/zinc/14/72/65/352147265.db2.gz KZKGMJOVXLTLTL-ZDUSSCGKSA-N 2 2 251.378 0.539 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000237083405 352242258 /nfs/dbraw/zinc/24/22/58/352242258.db2.gz AGKKFJIETVAOQF-OLZOCXBDSA-N 3 2 282.432 0.256 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000237041285 352238408 /nfs/dbraw/zinc/23/84/08/352238408.db2.gz HFCWCEPKJVIMRY-UHTWSYAYSA-N 2 2 269.389 0.339 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000237041285 352238411 /nfs/dbraw/zinc/23/84/11/352238411.db2.gz HFCWCEPKJVIMRY-UHTWSYAYSA-N 2 2 269.389 0.339 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000237083827 352242481 /nfs/dbraw/zinc/24/24/81/352242481.db2.gz AGKKFJIETVAOQF-QWHCGFSZSA-N 3 2 282.432 0.256 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000236673338 352204349 /nfs/dbraw/zinc/20/43/49/352204349.db2.gz LEJCMBWJMALNSP-GFCCVEGCSA-N 2 2 271.405 0.588 20 0 CCADLP CCC[C@H]([NH3+])C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000236919570 352228192 /nfs/dbraw/zinc/22/81/92/352228192.db2.gz LMJXBLRFAWUSQB-UTUOFQBUSA-N 2 2 257.378 0.339 20 0 CCADLP CCC[C@@H]([NH3+])C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000236968042 352232897 /nfs/dbraw/zinc/23/28/97/352232897.db2.gz ZMISCYBNZHFJNJ-CYBMUJFWSA-N 2 2 292.383 0.662 20 0 CCADLP C[C@@H](NC(=O)c1csc(C[NH3+])n1)[C@H](C)[NH+]1CCOCC1 ZINC000237590639 352273690 /nfs/dbraw/zinc/27/36/90/352273690.db2.gz CHZAIRXTTKGVMZ-ZJUUUORDSA-N 2 2 298.412 0.441 20 0 CCADLP [NH3+]CCCCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000238055970 352296132 /nfs/dbraw/zinc/29/61/32/352296132.db2.gz UXTIXQZHNGPTSY-UHFFFAOYSA-N 2 2 291.395 0.988 20 0 CCADLP O=C1OCC[C@@H]1CC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000246364187 352362960 /nfs/dbraw/zinc/36/29/60/352362960.db2.gz HHNWRLSONPFFKZ-GJZGRUSLSA-N 2 2 296.411 0.984 20 0 CCADLP O=C1OCC[C@@H]1CC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000246364187 352362962 /nfs/dbraw/zinc/36/29/62/352362962.db2.gz HHNWRLSONPFFKZ-GJZGRUSLSA-N 2 2 296.411 0.984 20 0 CCADLP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246753903 352382501 /nfs/dbraw/zinc/38/25/01/352382501.db2.gz NJARVZYQZUCQOC-GJZGRUSLSA-N 2 2 297.443 0.945 20 0 CCADLP CCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246753903 352382505 /nfs/dbraw/zinc/38/25/05/352382505.db2.gz NJARVZYQZUCQOC-GJZGRUSLSA-N 2 2 297.443 0.945 20 0 CCADLP C[C@@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000247787980 352425196 /nfs/dbraw/zinc/42/51/96/352425196.db2.gz YTHHGIUVJFIRNK-AGIUHOORSA-N 2 2 262.357 0.997 20 0 CCADLP C[C@@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000247787980 352425200 /nfs/dbraw/zinc/42/52/00/352425200.db2.gz YTHHGIUVJFIRNK-AGIUHOORSA-N 2 2 262.357 0.997 20 0 CCADLP C[C@H](O)C[C@@H]1COCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000248601019 352448271 /nfs/dbraw/zinc/44/82/71/352448271.db2.gz AFGORBNASHWBSO-BFHYXJOUSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@H](O)C[C@@H]1COCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000248601019 352448275 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COC(=O)C1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000311652391 354202617 /nfs/dbraw/zinc/20/26/17/354202617.db2.gz DGNVZQMMULJZQF-ZDUSSCGKSA-N 2 2 272.389 0.573 20 0 CCADLP COC(=O)C1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000311652391 354202619 /nfs/dbraw/zinc/20/26/19/354202619.db2.gz DGNVZQMMULJZQF-ZDUSSCGKSA-N 2 2 272.389 0.573 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)C1CC1 ZINC000312910468 354210882 /nfs/dbraw/zinc/21/08/82/354210882.db2.gz KRQZCMJSWKDXHX-BPUTZDHNSA-N 3 2 281.444 0.858 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)C1CC1 ZINC000312910468 354210885 /nfs/dbraw/zinc/21/08/85/354210885.db2.gz KRQZCMJSWKDXHX-BPUTZDHNSA-N 3 2 281.444 0.858 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)C1CC1 ZINC000312910468 354210889 /nfs/dbraw/zinc/21/08/89/354210889.db2.gz KRQZCMJSWKDXHX-BPUTZDHNSA-N 3 2 281.444 0.858 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)C1CC1 ZINC000312910468 354210891 /nfs/dbraw/zinc/21/08/91/354210891.db2.gz KRQZCMJSWKDXHX-BPUTZDHNSA-N 3 2 281.444 0.858 20 0 CCADLP CC(C)COC[C@@H](O)C[NH2+]CCc1cn(C)c[nH+]1 ZINC000313250562 354213164 /nfs/dbraw/zinc/21/31/64/354213164.db2.gz HKAVWVXBWPCTEO-ZDUSSCGKSA-N 2 2 255.362 0.586 20 0 CCADLP C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CCCO[C@@H](C[NH3+])C2)C1 ZINC000313338349 354213407 /nfs/dbraw/zinc/21/34/07/354213407.db2.gz BLIFFFRUSTURRG-MJBXVCDLSA-N 2 2 283.416 0.541 20 0 CCADLP C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CCCO[C@@H](C[NH3+])C2)C1 ZINC000313338349 354213408 /nfs/dbraw/zinc/21/34/08/354213408.db2.gz BLIFFFRUSTURRG-MJBXVCDLSA-N 2 2 283.416 0.541 20 0 CCADLP COC(=O)C[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)CCO1 ZINC000314081220 354221835 /nfs/dbraw/zinc/22/18/35/354221835.db2.gz FFONBMCTKZLIBX-CYBMUJFWSA-N 2 2 281.356 0.617 20 0 CCADLP COC(=O)C[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)CCO1 ZINC000314081220 354221838 /nfs/dbraw/zinc/22/18/38/354221838.db2.gz FFONBMCTKZLIBX-CYBMUJFWSA-N 2 2 281.356 0.617 20 0 CCADLP Cc1nc(NCC[NH+]2CCCCCC2)nc(N(C)C)[nH+]1 ZINC000330038204 354287931 /nfs/dbraw/zinc/28/79/31/354287931.db2.gz DUFAUTSIAFPNSP-UHFFFAOYSA-N 2 2 278.404 0.956 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](OCCO)C1 ZINC000330367259 354333293 /nfs/dbraw/zinc/33/32/93/354333293.db2.gz RYQGHHBOJSXZBY-ZDUSSCGKSA-N 2 2 253.346 0.665 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](OCCO)C1 ZINC000330367259 354333295 /nfs/dbraw/zinc/33/32/95/354333295.db2.gz RYQGHHBOJSXZBY-ZDUSSCGKSA-N 2 2 253.346 0.665 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCNC(=O)C1(C)C ZINC000330367328 354333640 /nfs/dbraw/zinc/33/36/40/354333640.db2.gz VHANKRLWHPNJJI-UHFFFAOYSA-N 2 2 250.346 0.792 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CCNC(=O)C1(C)C ZINC000330367328 354333643 /nfs/dbraw/zinc/33/36/43/354333643.db2.gz VHANKRLWHPNJJI-UHFFFAOYSA-N 2 2 250.346 0.792 20 0 CCADLP CS[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH+](C)C ZINC000557244775 291028450 /nfs/dbraw/zinc/02/84/50/291028450.db2.gz ZHCVQNBSTVHFJO-MNOVXSKESA-N 2 2 268.386 0.387 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487212 412590639 /nfs/dbraw/zinc/59/06/39/412590639.db2.gz ATAAFICSBOYTPB-KKKKKVIPSA-N 2 2 281.400 0.351 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487212 412590643 /nfs/dbraw/zinc/59/06/43/412590643.db2.gz ATAAFICSBOYTPB-KKKKKVIPSA-N 2 2 281.400 0.351 20 0 CCADLP C[C@@H]1CCC[C@H]1[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000332537132 354693283 /nfs/dbraw/zinc/69/32/83/354693283.db2.gz ABVMAKHFHLFPAT-ZIAGYGMSSA-N 2 2 297.443 0.992 20 0 CCADLP Cc1[nH+]ccn1CCCN(C)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000332552640 354695668 /nfs/dbraw/zinc/69/56/68/354695668.db2.gz HYCVCMZMMPSSCF-ZDUSSCGKSA-N 2 2 294.399 0.761 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2ccc(CO)o2)C1 ZINC000608056018 363397224 /nfs/dbraw/zinc/39/72/24/363397224.db2.gz SKIPNFORGKYYDJ-LBPRGKRZSA-N 2 2 295.383 0.449 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc(CO)o2)C1 ZINC000608056018 363397228 /nfs/dbraw/zinc/39/72/28/363397228.db2.gz SKIPNFORGKYYDJ-LBPRGKRZSA-N 2 2 295.383 0.449 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCc3c(F)cccc3C2)CC1 ZINC000334433267 354864193 /nfs/dbraw/zinc/86/41/93/354864193.db2.gz MFYUKCZBJQSDTK-UHFFFAOYSA-N 2 2 291.370 0.958 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCc3c(F)cccc3C2)CC1 ZINC000334433267 354864195 /nfs/dbraw/zinc/86/41/95/354864195.db2.gz MFYUKCZBJQSDTK-UHFFFAOYSA-N 2 2 291.370 0.958 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000655497827 412598187 /nfs/dbraw/zinc/59/81/87/412598187.db2.gz ITVCWRPSXCJNSG-RDBSUJKOSA-N 2 2 277.368 0.040 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H]3CCC[C@H]32)CC1 ZINC000335833311 355023822 /nfs/dbraw/zinc/02/38/22/355023822.db2.gz UWSKXXLZADNIQV-CHWSQXEVSA-N 2 2 251.374 0.635 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H]3CCC[C@H]32)CC1 ZINC000335833311 355023824 /nfs/dbraw/zinc/02/38/24/355023824.db2.gz UWSKXXLZADNIQV-CHWSQXEVSA-N 2 2 251.374 0.635 20 0 CCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)[C@H]1CSC[NH2+]1 ZINC000423808002 235088368 /nfs/dbraw/zinc/08/83/68/235088368.db2.gz WSCDYBNHHKGESA-WDEREUQCSA-N 2 2 278.381 0.439 20 0 CCADLP COCC[C@]1(C(=O)N(C)CCCn2cc[nH+]c2)CC[NH2+]C1 ZINC000423824073 235091506 /nfs/dbraw/zinc/09/15/06/235091506.db2.gz JBBIMTSYLNOQPB-OAHLLOKOSA-N 2 2 294.399 0.748 20 0 CCADLP O=C(NCc1ccn2cc[nH+]c2c1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000336597285 355118487 /nfs/dbraw/zinc/11/84/87/355118487.db2.gz WREGTXMDCXWLIC-SWLSCSKDSA-N 2 2 270.336 0.950 20 0 CCADLP CC[NH+]1CCC([N@H+](C)CCN2CCNC2=O)CC1 ZINC000336788766 355161813 /nfs/dbraw/zinc/16/18/13/355161813.db2.gz HRCNLTOZPPFGGO-UHFFFAOYSA-N 2 2 254.378 0.428 20 0 CCADLP CC[NH+]1CCC([N@@H+](C)CCN2CCNC2=O)CC1 ZINC000336788766 355161818 /nfs/dbraw/zinc/16/18/18/355161818.db2.gz HRCNLTOZPPFGGO-UHFFFAOYSA-N 2 2 254.378 0.428 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+](C)CCOCC1CC1)C1CC1 ZINC000336793023 355165870 /nfs/dbraw/zinc/16/58/70/355165870.db2.gz VDGJCTXBBHTDJW-CQSZACIVSA-N 2 2 256.390 0.800 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+](C)CCOCC1CC1)C1CC1 ZINC000336793023 355165872 /nfs/dbraw/zinc/16/58/72/355165872.db2.gz VDGJCTXBBHTDJW-CQSZACIVSA-N 2 2 256.390 0.800 20 0 CCADLP C[NH+](CCOCC1CC1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336793023 355165874 /nfs/dbraw/zinc/16/58/74/355165874.db2.gz VDGJCTXBBHTDJW-CQSZACIVSA-N 2 2 256.390 0.800 20 0 CCADLP C[NH+](CCOCC1CC1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336793023 355165877 /nfs/dbraw/zinc/16/58/77/355165877.db2.gz VDGJCTXBBHTDJW-CQSZACIVSA-N 2 2 256.390 0.800 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCSC[C@@H]1CCO)C1CC1 ZINC000336794015 355167512 /nfs/dbraw/zinc/16/75/12/355167512.db2.gz ZIEKZNXZEYCMPH-QWHCGFSZSA-N 2 2 274.430 0.241 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCSC[C@@H]1CCO)C1CC1 ZINC000336794015 355167513 /nfs/dbraw/zinc/16/75/13/355167513.db2.gz ZIEKZNXZEYCMPH-QWHCGFSZSA-N 2 2 274.430 0.241 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCSC[C@@H]1CCO)C1CC1 ZINC000336794015 355167514 /nfs/dbraw/zinc/16/75/14/355167514.db2.gz ZIEKZNXZEYCMPH-QWHCGFSZSA-N 2 2 274.430 0.241 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCSC[C@@H]1CCO)C1CC1 ZINC000336794015 355167515 /nfs/dbraw/zinc/16/75/15/355167515.db2.gz ZIEKZNXZEYCMPH-QWHCGFSZSA-N 2 2 274.430 0.241 20 0 CCADLP O=C(NC[C@@H]1C[NH2+]CCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423993999 235134515 /nfs/dbraw/zinc/13/45/15/235134515.db2.gz RNNVMUPPCPQNKK-AWEZNQCLSA-N 2 2 286.335 0.591 20 0 CCADLP C(C[NH+]1CCOCC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000336719166 355149612 /nfs/dbraw/zinc/14/96/12/355149612.db2.gz VIFMLKQQASOPOQ-AWEZNQCLSA-N 2 2 253.390 0.489 20 0 CCADLP C(C[NH+]1CCOCC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000336719166 355149614 /nfs/dbraw/zinc/14/96/14/355149614.db2.gz VIFMLKQQASOPOQ-AWEZNQCLSA-N 2 2 253.390 0.489 20 0 CCADLP C[C@H]1CC[C@H](C[NH+]2CCC([N@H+](C)CCO)CC2)O1 ZINC000336783683 355156591 /nfs/dbraw/zinc/15/65/91/355156591.db2.gz FFBYELDDQBQTHF-GXTWGEPZSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@H]1CC[C@H](C[NH+]2CCC([N@@H+](C)CCO)CC2)O1 ZINC000336783683 355156594 /nfs/dbraw/zinc/15/65/94/355156594.db2.gz FFBYELDDQBQTHF-GXTWGEPZSA-N 2 2 256.390 0.942 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000336833907 355207275 /nfs/dbraw/zinc/20/72/75/355207275.db2.gz HFQNQAWHWUHJDP-VXGBXAGGSA-N 2 2 282.388 0.154 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000336833907 355207277 /nfs/dbraw/zinc/20/72/77/355207277.db2.gz HFQNQAWHWUHJDP-VXGBXAGGSA-N 2 2 282.388 0.154 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H](n2cccn2)C1)C1CC1 ZINC000336843005 355213509 /nfs/dbraw/zinc/21/35/09/355213509.db2.gz VWYYYVPUZUMTAI-HUUCEWRRSA-N 2 2 278.400 0.975 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H](n2cccn2)C1)C1CC1 ZINC000336843005 355213510 /nfs/dbraw/zinc/21/35/10/355213510.db2.gz VWYYYVPUZUMTAI-HUUCEWRRSA-N 2 2 278.400 0.975 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H](n2cccn2)C1)C1CC1 ZINC000336843005 355213512 /nfs/dbraw/zinc/21/35/12/355213512.db2.gz VWYYYVPUZUMTAI-HUUCEWRRSA-N 2 2 278.400 0.975 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H](n2cccn2)C1)C1CC1 ZINC000336843005 355213514 /nfs/dbraw/zinc/21/35/14/355213514.db2.gz VWYYYVPUZUMTAI-HUUCEWRRSA-N 2 2 278.400 0.975 20 0 CCADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+]([C@H]2CCCNC2=O)C1 ZINC000336798752 355171757 /nfs/dbraw/zinc/17/17/57/355171757.db2.gz GGLXKVJQZDPBNG-KBPBESRZSA-N 2 2 265.401 0.929 20 0 CCADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+]([C@H]2CCCNC2=O)C1 ZINC000336798752 355171760 /nfs/dbraw/zinc/17/17/60/355171760.db2.gz GGLXKVJQZDPBNG-KBPBESRZSA-N 2 2 265.401 0.929 20 0 CCADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC000336798752 355171763 /nfs/dbraw/zinc/17/17/63/355171763.db2.gz GGLXKVJQZDPBNG-KBPBESRZSA-N 2 2 265.401 0.929 20 0 CCADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC000336798752 355171767 /nfs/dbraw/zinc/17/17/67/355171767.db2.gz GGLXKVJQZDPBNG-KBPBESRZSA-N 2 2 265.401 0.929 20 0 CCADLP [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000424177077 235168909 /nfs/dbraw/zinc/16/89/09/235168909.db2.gz PJPUAGVDYKSHEH-OPRDCNLKSA-N 2 2 261.316 0.475 20 0 CCADLP C(C[NH+]1CCOCC1)N1CC[NH+](C2CCCC2)CC1 ZINC000336802409 355176665 /nfs/dbraw/zinc/17/66/65/355176665.db2.gz UKNVXDLKRODMSU-UHFFFAOYSA-N 2 2 267.417 0.879 20 0 CCADLP CN(CCC[NH+]1CCOCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000336801724 355177025 /nfs/dbraw/zinc/17/70/25/355177025.db2.gz RBFMAPZGHOHRKZ-OAHLLOKOSA-N 2 2 267.417 0.877 20 0 CCADLP CN(CCC[NH+]1CCOCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000336801724 355177028 /nfs/dbraw/zinc/17/70/28/355177028.db2.gz RBFMAPZGHOHRKZ-OAHLLOKOSA-N 2 2 267.417 0.877 20 0 CCADLP CS[C@H]1CN(CCC[NH+]2CCOCC2)C[C@H]1[NH+](C)C ZINC000336803798 355179728 /nfs/dbraw/zinc/17/97/28/355179728.db2.gz ZUWGWUKRYPDUGE-KGLIPLIRSA-N 2 2 287.473 0.686 20 0 CCADLP O=C(Nc1nc(C2CC[NH2+]CC2)cs1)[C@@H]1COCC[NH2+]1 ZINC000424189935 235174851 /nfs/dbraw/zinc/17/48/51/235174851.db2.gz FGWTVBWCZUMYLR-JTQLQIEISA-N 2 2 296.396 0.537 20 0 CCADLP Cc1cc(C)n(CC[NH+]2CCC([N@H+](C)CCO)CC2)n1 ZINC000336821217 355195060 /nfs/dbraw/zinc/19/50/60/355195060.db2.gz GZWQQHMOHGPVME-UHFFFAOYSA-N 2 2 280.416 0.888 20 0 CCADLP Cc1cc(C)n(CC[NH+]2CCC([N@@H+](C)CCO)CC2)n1 ZINC000336821217 355195062 /nfs/dbraw/zinc/19/50/62/355195062.db2.gz GZWQQHMOHGPVME-UHFFFAOYSA-N 2 2 280.416 0.888 20 0 CCADLP Cn1ccc(N2CCC[C@@H]([NH2+][C@@H]3CCCC[C@H]3[NH3+])C2=O)n1 ZINC000424302114 235195442 /nfs/dbraw/zinc/19/54/42/235195442.db2.gz YZBWZRWVDLJMGS-JHJVBQTASA-N 2 2 291.399 0.775 20 0 CCADLP CCC(CC)(CCO)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000338374418 355334868 /nfs/dbraw/zinc/33/48/68/355334868.db2.gz XHFSREMDTNWLSH-UHFFFAOYSA-N 2 2 271.405 0.291 20 0 CCADLP C[C@H](CO)[N@@H+]1CCCN(CC[NH+]2CCOC[C@H]2C)CC1 ZINC000337181046 355279406 /nfs/dbraw/zinc/27/94/06/355279406.db2.gz ASISGDGCTQYJJX-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H](CO)[N@H+]1CCCN(CC[NH+]2CCOC[C@H]2C)CC1 ZINC000337181046 355279411 /nfs/dbraw/zinc/27/94/11/355279411.db2.gz ASISGDGCTQYJJX-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H](CO)[NH+]1CCCN(CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000337181046 355279417 /nfs/dbraw/zinc/27/94/17/355279417.db2.gz ASISGDGCTQYJJX-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H](CO)[NH+]1CCCN(CC[N@H+]2CCOC[C@H]2C)CC1 ZINC000337181046 355279422 /nfs/dbraw/zinc/27/94/22/355279422.db2.gz ASISGDGCTQYJJX-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP [NH3+]C[C@@H](NC(=O)Cc1cn2ccccc2[nH+]1)C(F)(F)F ZINC000655513733 412606874 /nfs/dbraw/zinc/60/68/74/412606874.db2.gz CUYHJYAELRIRCE-SECBINFHSA-N 2 2 286.257 0.883 20 0 CCADLP OC[C@@]1(F)CC[NH+](C/C=C/C[N@H+]2CC[C@@](F)(CO)C2)C1 ZINC000338594159 355374258 /nfs/dbraw/zinc/37/42/58/355374258.db2.gz OMLOGHWLVDSVMY-CZMZKRSCSA-N 2 2 290.354 0.355 20 0 CCADLP OC[C@@]1(F)CC[NH+](C/C=C/C[N@@H+]2CC[C@@](F)(CO)C2)C1 ZINC000338594159 355374262 /nfs/dbraw/zinc/37/42/62/355374262.db2.gz OMLOGHWLVDSVMY-CZMZKRSCSA-N 2 2 290.354 0.355 20 0 CCADLP OC[C@@]1(F)CC[N@@H+](C/C=C/C[NH+]2CC[C@@](F)(CO)C2)C1 ZINC000338594159 355374267 /nfs/dbraw/zinc/37/42/67/355374267.db2.gz OMLOGHWLVDSVMY-CZMZKRSCSA-N 2 2 290.354 0.355 20 0 CCADLP OC[C@@]1(F)CC[N@H+](C/C=C/C[NH+]2CC[C@@](F)(CO)C2)C1 ZINC000338594159 355374271 /nfs/dbraw/zinc/37/42/71/355374271.db2.gz OMLOGHWLVDSVMY-CZMZKRSCSA-N 2 2 290.354 0.355 20 0 CCADLP COCC(C)(C)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000425002895 235249913 /nfs/dbraw/zinc/24/99/13/235249913.db2.gz RPJAKVAIKQDLHK-UHFFFAOYSA-N 2 2 257.378 0.117 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000338796958 355421540 /nfs/dbraw/zinc/42/15/40/355421540.db2.gz WJKZWGNCYJZWKV-WOPDTQHZSA-N 2 2 251.374 0.727 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000338796958 355421542 /nfs/dbraw/zinc/42/15/42/355421542.db2.gz WJKZWGNCYJZWKV-WOPDTQHZSA-N 2 2 251.374 0.727 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)CCc2c[nH+]cn2C)CCO1 ZINC000339164498 355498286 /nfs/dbraw/zinc/49/82/86/355498286.db2.gz NWIRFUVSROGNDQ-CQSZACIVSA-N 2 2 294.399 0.580 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)CCc2c[nH+]cn2C)CCO1 ZINC000339164498 355498291 /nfs/dbraw/zinc/49/82/91/355498291.db2.gz NWIRFUVSROGNDQ-CQSZACIVSA-N 2 2 294.399 0.580 20 0 CCADLP CC1(C)OCC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000340235140 355535096 /nfs/dbraw/zinc/53/50/96/355535096.db2.gz DCVYYICRMGTABL-NWDGAFQWSA-N 2 2 269.389 0.483 20 0 CCADLP CC1(C)OCC[C@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000340235140 355535098 /nfs/dbraw/zinc/53/50/98/355535098.db2.gz DCVYYICRMGTABL-NWDGAFQWSA-N 2 2 269.389 0.483 20 0 CCADLP Cc1c[nH+]c(CNCCC[N@@H+]2CCC[C@H](C(N)=O)C2)n1C ZINC000341039462 355591992 /nfs/dbraw/zinc/59/19/92/355591992.db2.gz NZUHJDJXKDWXRO-ZDUSSCGKSA-N 2 2 293.415 0.406 20 0 CCADLP Cc1c[nH+]c(CNCCC[N@H+]2CCC[C@H](C(N)=O)C2)n1C ZINC000341039462 355591994 /nfs/dbraw/zinc/59/19/94/355591994.db2.gz NZUHJDJXKDWXRO-ZDUSSCGKSA-N 2 2 293.415 0.406 20 0 CCADLP C[NH+]1CCC([NH2+]CC2(S(C)(=O)=O)CCC2)CC1 ZINC000341367860 355660368 /nfs/dbraw/zinc/66/03/68/355660368.db2.gz LIEVWUDDVQCUNU-UHFFFAOYSA-N 2 2 260.403 0.638 20 0 CCADLP Cc1nn(C(C)C)cc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000341377218 355661812 /nfs/dbraw/zinc/66/18/12/355661812.db2.gz ROPBQSXLTWXYNN-AWEZNQCLSA-N 2 2 266.389 0.929 20 0 CCADLP Cc1nn(C(C)C)cc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000341377218 355661817 /nfs/dbraw/zinc/66/18/17/355661817.db2.gz ROPBQSXLTWXYNN-AWEZNQCLSA-N 2 2 266.389 0.929 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2CC23CC3)CC1 ZINC000425723326 235314574 /nfs/dbraw/zinc/31/45/74/235314574.db2.gz IUSVXHZFKSHBOC-ZDUSSCGKSA-N 2 2 280.416 0.864 20 0 CCADLP Cn1cc[nH+]c1[C@@H](NC(=O)C[NH3+])c1ccc(F)cc1 ZINC000342888601 355763650 /nfs/dbraw/zinc/76/36/50/355763650.db2.gz ROGBZOJUPDXUJE-LBPRGKRZSA-N 2 2 262.288 0.724 20 0 CCADLP COC(=O)CC[C@H]([NH3+])C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000342736207 355732183 /nfs/dbraw/zinc/73/21/83/355732183.db2.gz MSAHDDIEWKMIFF-NSHDSACASA-N 2 2 294.355 0.044 20 0 CCADLP CNC(=O)C[C@H](C)[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000358172472 290457661 /nfs/dbraw/zinc/45/76/61/290457661.db2.gz STXUINZLUBJLGW-RYUDHWBXSA-N 2 2 257.378 0.211 20 0 CCADLP CC(C)[NH+]1CCC(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000345425196 355823832 /nfs/dbraw/zinc/82/38/32/355823832.db2.gz HVMUAUQSYWVTKE-CQSZACIVSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[NH+]1CCC(C(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC000345425196 355823834 /nfs/dbraw/zinc/82/38/34/355823834.db2.gz HVMUAUQSYWVTKE-CQSZACIVSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)C[NH+]1CCCC1 ZINC000345511112 355841979 /nfs/dbraw/zinc/84/19/79/355841979.db2.gz UVZKFATVRBOTKJ-GHMZBOCLSA-N 2 2 275.343 0.832 20 0 CCADLP Fc1cnc(N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)nc1 ZINC000347001290 355875499 /nfs/dbraw/zinc/87/54/99/355875499.db2.gz HHLYLAZDHQECEO-GFCCVEGCSA-N 2 2 279.363 0.737 20 0 CCADLP C[C@H](c1nncn1C)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000346991856 355875503 /nfs/dbraw/zinc/87/55/03/355875503.db2.gz YAJPXXTXWGIMJU-CYBMUJFWSA-N 2 2 294.447 0.834 20 0 CCADLP C[C@H](c1nncn1C)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000346991856 355875504 /nfs/dbraw/zinc/87/55/04/355875504.db2.gz YAJPXXTXWGIMJU-CYBMUJFWSA-N 2 2 294.447 0.834 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000347543529 355880591 /nfs/dbraw/zinc/88/05/91/355880591.db2.gz QUPXOXAGOOEEKD-QWHCGFSZSA-N 2 2 289.445 0.614 20 0 CCADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000347543529 355880596 /nfs/dbraw/zinc/88/05/96/355880596.db2.gz QUPXOXAGOOEEKD-QWHCGFSZSA-N 2 2 289.445 0.614 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000347543529 355880599 /nfs/dbraw/zinc/88/05/99/355880599.db2.gz QUPXOXAGOOEEKD-QWHCGFSZSA-N 2 2 289.445 0.614 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000347543529 355880605 /nfs/dbraw/zinc/88/06/05/355880605.db2.gz QUPXOXAGOOEEKD-QWHCGFSZSA-N 2 2 289.445 0.614 20 0 CCADLP CCCC[N@H+](C)CCNC(=O)NC[C@H]1CN(C)CC[NH+]1C ZINC000352683640 356052107 /nfs/dbraw/zinc/05/21/07/356052107.db2.gz LANQDHTVGHMGJA-AWEZNQCLSA-N 2 2 299.463 0.263 20 0 CCADLP CCCC[N@@H+](C)CCNC(=O)NC[C@H]1CN(C)CC[NH+]1C ZINC000352683640 356052108 /nfs/dbraw/zinc/05/21/08/356052108.db2.gz LANQDHTVGHMGJA-AWEZNQCLSA-N 2 2 299.463 0.263 20 0 CCADLP CCCC[NH+](C)CCNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000352683640 356052112 /nfs/dbraw/zinc/05/21/12/356052112.db2.gz LANQDHTVGHMGJA-AWEZNQCLSA-N 2 2 299.463 0.263 20 0 CCADLP CCCC[NH+](C)CCNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000352683640 356052115 /nfs/dbraw/zinc/05/21/15/356052115.db2.gz LANQDHTVGHMGJA-AWEZNQCLSA-N 2 2 299.463 0.263 20 0 CCADLP COC[C@@H](CO)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352698014 356056718 /nfs/dbraw/zinc/05/67/18/356056718.db2.gz MKMVPDPIELYCCM-SECBINFHSA-N 2 2 259.375 0.302 20 0 CCADLP Cc1c[nH]nc1C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000352950663 356118413 /nfs/dbraw/zinc/11/84/13/356118413.db2.gz UINCXPONZIZJRW-ZDUSSCGKSA-N 2 2 265.405 0.834 20 0 CCADLP C[N@H+](CCNC(=O)NCC[NH+]1CCOC(C)(C)C1)C1CC1 ZINC000352737460 356066807 /nfs/dbraw/zinc/06/68/07/356066807.db2.gz FWQYYBSNLJUTOX-UHFFFAOYSA-N 2 2 298.431 0.491 20 0 CCADLP C[N@@H+](CCNC(=O)NCC[NH+]1CCOC(C)(C)C1)C1CC1 ZINC000352737460 356066811 /nfs/dbraw/zinc/06/68/11/356066811.db2.gz FWQYYBSNLJUTOX-UHFFFAOYSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+](CCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1)C1CC1 ZINC000352737460 356066816 /nfs/dbraw/zinc/06/68/16/356066816.db2.gz FWQYYBSNLJUTOX-UHFFFAOYSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+](CCNC(=O)NCC[N@H+]1CCOC(C)(C)C1)C1CC1 ZINC000352737460 356066819 /nfs/dbraw/zinc/06/68/19/356066819.db2.gz FWQYYBSNLJUTOX-UHFFFAOYSA-N 2 2 298.431 0.491 20 0 CCADLP COc1cccc(OC)c1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000352737296 356067584 /nfs/dbraw/zinc/06/75/84/356067584.db2.gz KHJRMEIOJKYDLH-HNNXBMFYSA-N 2 2 280.368 0.860 20 0 CCADLP COc1cccc(OC)c1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000352737296 356067585 /nfs/dbraw/zinc/06/75/85/356067585.db2.gz KHJRMEIOJKYDLH-HNNXBMFYSA-N 2 2 280.368 0.860 20 0 CCADLP [NH3+][C@@H]1CCc2ncc(NC(=O)[C@H]3CC(F)(F)C[NH2+]3)cc2C1 ZINC000360834150 138012643 /nfs/dbraw/zinc/01/26/43/138012643.db2.gz OVPUXPVELQETLE-BXKDBHETSA-N 2 2 296.321 0.833 20 0 CCADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000353511690 356242987 /nfs/dbraw/zinc/24/29/87/356242987.db2.gz JZOIMMRDDLNOPZ-CHWSQXEVSA-N 2 2 291.399 0.442 20 0 CCADLP CC[NH+]1CCC([NH2+][C@@H]2CCS(=O)(=O)[C@H]2C)CC1 ZINC000353935502 356317609 /nfs/dbraw/zinc/31/76/09/356317609.db2.gz WUQOQWDEVPRNTL-CMPLNLGQSA-N 2 2 260.403 0.636 20 0 CCADLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cnn(C)c1 ZINC000361220714 138025764 /nfs/dbraw/zinc/02/57/64/138025764.db2.gz NJKNFKAYPQBZCD-UONOGXRCSA-N 2 2 293.415 0.801 20 0 CCADLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cnn(C)c1 ZINC000361220714 138025765 /nfs/dbraw/zinc/02/57/65/138025765.db2.gz NJKNFKAYPQBZCD-UONOGXRCSA-N 2 2 293.415 0.801 20 0 CCADLP Cn1ccnc1[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000362380435 138056803 /nfs/dbraw/zinc/05/68/03/138056803.db2.gz YOBAIPBMCYFUEU-UONOGXRCSA-N 2 2 278.400 0.918 20 0 CCADLP O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CCn2cc[nH+]c2C1 ZINC000362554026 138064061 /nfs/dbraw/zinc/06/40/61/138064061.db2.gz RVVGJVUFTSCIGN-JTQLQIEISA-N 2 2 286.339 0.339 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@](C)(O)C2CCC2)CC1 ZINC000362892101 138078931 /nfs/dbraw/zinc/07/89/31/138078931.db2.gz KQPXCMDKXBXBAE-INIZCTEOSA-N 2 2 297.443 0.680 20 0 CCADLP CC(C)n1nccc1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000354493447 356424866 /nfs/dbraw/zinc/42/48/66/356424866.db2.gz FWMPTFVCVNZKTP-ZDUSSCGKSA-N 2 2 254.378 0.866 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)CC1CC[NH+](C)CC1 ZINC000362751803 138072826 /nfs/dbraw/zinc/07/28/26/138072826.db2.gz KAZHMPLJMZQSSY-UHFFFAOYSA-N 2 2 283.416 0.509 20 0 CCADLP C[C@@H]1CC[C@H](C[N@H+](C)C2CC[NH+](CCO)CC2)O1 ZINC000354890655 356522128 /nfs/dbraw/zinc/52/21/28/356522128.db2.gz JPVZYEOXPHPUEY-TZMCWYRMSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@@H]1CC[C@H](C[N@@H+](C)C2CC[NH+](CCO)CC2)O1 ZINC000354890655 356522131 /nfs/dbraw/zinc/52/21/31/356522131.db2.gz JPVZYEOXPHPUEY-TZMCWYRMSA-N 2 2 256.390 0.942 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157469 363475334 /nfs/dbraw/zinc/47/53/34/363475334.db2.gz SGLYCYRHDNGCDE-MNOVXSKESA-N 2 2 279.344 0.364 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157469 363475341 /nfs/dbraw/zinc/47/53/41/363475341.db2.gz SGLYCYRHDNGCDE-MNOVXSKESA-N 2 2 279.344 0.364 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)[C@@H]2CCNC2=O)CC1 ZINC000328802426 202064095 /nfs/dbraw/zinc/06/40/95/202064095.db2.gz AYQCOIIIUYLXIE-VXGBXAGGSA-N 2 2 282.388 0.200 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)[C@@H]2CCNC2=O)CC1 ZINC000328802426 202064098 /nfs/dbraw/zinc/06/40/98/202064098.db2.gz AYQCOIIIUYLXIE-VXGBXAGGSA-N 2 2 282.388 0.200 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000355407351 356625522 /nfs/dbraw/zinc/62/55/22/356625522.db2.gz CESDWFSRTWYWHV-MGPQQGTHSA-N 2 2 283.416 0.696 20 0 CCADLP CC[NH+]1CCC(NC(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000355857831 356660631 /nfs/dbraw/zinc/66/06/31/356660631.db2.gz BFFCHYDMSNEYKR-UHFFFAOYSA-N 2 2 295.427 0.842 20 0 CCADLP C[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000355817962 356654270 /nfs/dbraw/zinc/65/42/70/356654270.db2.gz YYFWLUZRMOKBPQ-ZFWWWQNUSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000355817962 356654271 /nfs/dbraw/zinc/65/42/71/356654271.db2.gz YYFWLUZRMOKBPQ-ZFWWWQNUSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@H]1C[NH+](C)CCN1C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000355817962 356654273 /nfs/dbraw/zinc/65/42/73/356654273.db2.gz YYFWLUZRMOKBPQ-ZFWWWQNUSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@H]1C[NH+](C)CCN1C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000355817962 356654275 /nfs/dbraw/zinc/65/42/75/356654275.db2.gz YYFWLUZRMOKBPQ-ZFWWWQNUSA-N 2 2 295.427 0.792 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CCC[C@H](O)C2)CC1 ZINC000439504833 235758432 /nfs/dbraw/zinc/75/84/32/235758432.db2.gz MWYLLKOFENVSFH-HIFRSBDPSA-N 2 2 297.443 0.680 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCCCn1cc[nH+]c1 ZINC000356123447 356707137 /nfs/dbraw/zinc/70/71/37/356707137.db2.gz HDQVWICFNPFTLR-CYBMUJFWSA-N 2 2 295.387 0.293 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCCCn1cc[nH+]c1 ZINC000356123447 356707143 /nfs/dbraw/zinc/70/71/43/356707143.db2.gz HDQVWICFNPFTLR-CYBMUJFWSA-N 2 2 295.387 0.293 20 0 CCADLP C[N@@H+]1CC[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C1 ZINC000329041019 202165526 /nfs/dbraw/zinc/16/55/26/202165526.db2.gz IETYQFPLWJILNI-RYUDHWBXSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@H+]1CC[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C1 ZINC000329041019 202165529 /nfs/dbraw/zinc/16/55/29/202165529.db2.gz IETYQFPLWJILNI-RYUDHWBXSA-N 2 2 262.357 0.895 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N(CC[NH+](C)C)C1CC1 ZINC000356269499 356737202 /nfs/dbraw/zinc/73/72/02/356737202.db2.gz AHMMSUXZKPUBPJ-UHFFFAOYSA-N 2 2 264.373 0.905 20 0 CCADLP C[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)[NH+]1CCOCC1 ZINC000356306290 356744398 /nfs/dbraw/zinc/74/43/98/356744398.db2.gz BBRDNMRWGRWUQC-GOEBONIOSA-N 2 2 295.427 0.651 20 0 CCADLP C[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)[NH+]1CCOCC1 ZINC000356306290 356744400 /nfs/dbraw/zinc/74/44/00/356744400.db2.gz BBRDNMRWGRWUQC-GOEBONIOSA-N 2 2 295.427 0.651 20 0 CCADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCc1cc(F)cc(F)c1 ZINC000359301983 356798265 /nfs/dbraw/zinc/79/82/65/356798265.db2.gz IPJDKYQCZKARJL-TXEJJXNPSA-N 2 2 295.333 0.732 20 0 CCADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCc1cc(F)cc(F)c1 ZINC000359301983 356798269 /nfs/dbraw/zinc/79/82/69/356798269.db2.gz IPJDKYQCZKARJL-TXEJJXNPSA-N 2 2 295.333 0.732 20 0 CCADLP COc1cc[nH+]c(CN2CCN(C(=O)C[NH+](C)C)CC2)c1 ZINC000359381603 356811693 /nfs/dbraw/zinc/81/16/93/356811693.db2.gz FAVDMKZUSQNZDF-UHFFFAOYSA-N 2 2 292.383 0.296 20 0 CCADLP CO[C@@H]1CC[N@H+](CCN2CCCC2=O)[C@@H](C[NH3+])C1 ZINC000359041472 356786869 /nfs/dbraw/zinc/78/68/69/356786869.db2.gz IZVKQDUTHYMIMN-VXGBXAGGSA-N 2 2 255.362 0.047 20 0 CCADLP CO[C@@H]1CC[N@@H+](CCN2CCCC2=O)[C@@H](C[NH3+])C1 ZINC000359041472 356786876 /nfs/dbraw/zinc/78/68/76/356786876.db2.gz IZVKQDUTHYMIMN-VXGBXAGGSA-N 2 2 255.362 0.047 20 0 CCADLP COC(=O)[C@H](C1CC1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000359586026 356852206 /nfs/dbraw/zinc/85/22/06/356852206.db2.gz CIUWSNJVXXPXAG-LBPRGKRZSA-N 2 2 278.356 0.494 20 0 CCADLP COCC[N@H+](C)CCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655688794 412645441 /nfs/dbraw/zinc/64/54/41/412645441.db2.gz IQHHNXMXUYYEQG-INIZCTEOSA-N 3 2 299.459 0.798 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655688794 412645444 /nfs/dbraw/zinc/64/54/44/412645444.db2.gz IQHHNXMXUYYEQG-INIZCTEOSA-N 3 2 299.459 0.798 20 0 CCADLP O[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C[NH+]1CCCC1 ZINC000655698386 412647849 /nfs/dbraw/zinc/64/78/49/412647849.db2.gz AXQSYSUMIFABON-CVEARBPZSA-N 3 2 297.443 0.286 20 0 CCADLP C[N@H+](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000364209504 357095471 /nfs/dbraw/zinc/09/54/71/357095471.db2.gz BOWBUQUEKQSQQI-NSHDSACASA-N 2 2 262.357 0.656 20 0 CCADLP C[N@@H+](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000364209504 357095473 /nfs/dbraw/zinc/09/54/73/357095473.db2.gz BOWBUQUEKQSQQI-NSHDSACASA-N 2 2 262.357 0.656 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)NCC[NH+]1CCC1 ZINC000532786771 358513726 /nfs/dbraw/zinc/51/37/26/358513726.db2.gz YYPBHWNDXLGZCJ-UHFFFAOYSA-N 2 2 277.372 0.653 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C[C@H]3CCOC3)C2)CC1 ZINC000365468544 357153500 /nfs/dbraw/zinc/15/35/00/357153500.db2.gz ODHAGPKHEAQZSR-KGLIPLIRSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C[C@H]3CCOC3)C2)CC1 ZINC000365468544 357153502 /nfs/dbraw/zinc/15/35/02/357153502.db2.gz ODHAGPKHEAQZSR-KGLIPLIRSA-N 2 2 295.427 0.698 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366477505 357215591 /nfs/dbraw/zinc/21/55/91/357215591.db2.gz AVDAKCXHASXDPM-SMDDNHRTSA-N 2 2 282.388 0.248 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366477505 357215593 /nfs/dbraw/zinc/21/55/93/357215593.db2.gz AVDAKCXHASXDPM-SMDDNHRTSA-N 2 2 282.388 0.248 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366477505 357215597 /nfs/dbraw/zinc/21/55/97/357215597.db2.gz AVDAKCXHASXDPM-SMDDNHRTSA-N 2 2 282.388 0.248 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366477505 357215602 /nfs/dbraw/zinc/21/56/02/357215602.db2.gz AVDAKCXHASXDPM-SMDDNHRTSA-N 2 2 282.388 0.248 20 0 CCADLP CCCCNC(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366497789 357218972 /nfs/dbraw/zinc/21/89/72/357218972.db2.gz OJOUUTYIVQTODD-AWEZNQCLSA-N 2 2 253.390 0.930 20 0 CCADLP CCCCNC(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366497789 357218975 /nfs/dbraw/zinc/21/89/75/357218975.db2.gz OJOUUTYIVQTODD-AWEZNQCLSA-N 2 2 253.390 0.930 20 0 CCADLP CCCCNC(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366497789 357218980 /nfs/dbraw/zinc/21/89/80/357218980.db2.gz OJOUUTYIVQTODD-AWEZNQCLSA-N 2 2 253.390 0.930 20 0 CCADLP CCCCNC(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366497789 357218983 /nfs/dbraw/zinc/21/89/83/357218983.db2.gz OJOUUTYIVQTODD-AWEZNQCLSA-N 2 2 253.390 0.930 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000366743086 357235626 /nfs/dbraw/zinc/23/56/26/357235626.db2.gz JUSNXWRFSUUQLR-LBPRGKRZSA-N 2 2 262.357 0.957 20 0 CCADLP CCC(=O)N1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655724782 412651361 /nfs/dbraw/zinc/65/13/61/412651361.db2.gz ZIXMQEGRRBRFJN-LSDHHAIUSA-N 2 2 295.427 0.840 20 0 CCADLP Cc1cn[nH]c1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000368081068 357318002 /nfs/dbraw/zinc/31/80/02/357318002.db2.gz KIAPOJDGUXQVEI-CQSZACIVSA-N 2 2 293.415 0.214 20 0 CCADLP Cc1c[nH]nc1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000368081068 357318006 /nfs/dbraw/zinc/31/80/06/357318006.db2.gz KIAPOJDGUXQVEI-CQSZACIVSA-N 2 2 293.415 0.214 20 0 CCADLP c1c(C[NH2+]CCC[NH+]2CCC2)nnn1Cc1cccnc1 ZINC000655754099 412654594 /nfs/dbraw/zinc/65/45/94/412654594.db2.gz KJBXHLLIINCRGL-UHFFFAOYSA-N 2 2 286.383 0.907 20 0 CCADLP COC(=O)CNC(=O)[C@@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000610583335 363581884 /nfs/dbraw/zinc/58/18/84/363581884.db2.gz DKZCNHBJUAUPFA-SNVBAGLBSA-N 2 2 294.355 0.267 20 0 CCADLP COC[C@@H](C)NC(=[NH2+])NCc1c[nH+]c2n1CCCC2 ZINC000376727010 357496568 /nfs/dbraw/zinc/49/65/68/357496568.db2.gz BVFIGYOZGJFUAT-SNVBAGLBSA-N 2 2 265.361 0.868 20 0 CCADLP CNC(=O)[C@H](CC(C)C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655748606 412655059 /nfs/dbraw/zinc/65/50/59/412655059.db2.gz DIVLFIZFZAWHHO-CABCVRRESA-N 2 2 297.443 0.990 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000376939712 357520050 /nfs/dbraw/zinc/52/00/50/357520050.db2.gz BFFUFZRKNCEPNL-CYBMUJFWSA-N 2 2 276.384 0.998 20 0 CCADLP C[NH+](C)[C@@H]1CCC[N@H+](CCCS(C)(=O)=O)CC1 ZINC000377262980 357558766 /nfs/dbraw/zinc/55/87/66/357558766.db2.gz UHXNYQAPEGEVRY-GFCCVEGCSA-N 2 2 262.419 0.837 20 0 CCADLP C[NH+](C)[C@@H]1CCC[N@@H+](CCCS(C)(=O)=O)CC1 ZINC000377262980 357558771 /nfs/dbraw/zinc/55/87/71/357558771.db2.gz UHXNYQAPEGEVRY-GFCCVEGCSA-N 2 2 262.419 0.837 20 0 CCADLP CCC[C@@]1(CO)CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000377553724 357587649 /nfs/dbraw/zinc/58/76/49/357587649.db2.gz JMFCXEJKWFTZAR-OAHLLOKOSA-N 2 2 283.416 0.245 20 0 CCADLP CCC[C@@]1(CO)CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000377553724 357587655 /nfs/dbraw/zinc/58/76/55/357587655.db2.gz JMFCXEJKWFTZAR-OAHLLOKOSA-N 2 2 283.416 0.245 20 0 CCADLP C[NH+](C)[C@@H]1CCCN(C(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000378370148 357675864 /nfs/dbraw/zinc/67/58/64/357675864.db2.gz MWRJJXSMTNBCEI-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+]2CCC3(CC3)CC2)CC1 ZINC000378383677 357677146 /nfs/dbraw/zinc/67/71/46/357677146.db2.gz QZKBZMWYNRVKDI-UHFFFAOYSA-N 2 2 251.374 0.636 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000378382655 357677325 /nfs/dbraw/zinc/67/73/25/357677325.db2.gz NDOCLANXIPEJSH-KBPBESRZSA-N 2 2 281.400 0.119 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000378382655 357677327 /nfs/dbraw/zinc/67/73/27/357677327.db2.gz NDOCLANXIPEJSH-KBPBESRZSA-N 2 2 281.400 0.119 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000377942693 357631882 /nfs/dbraw/zinc/63/18/82/357631882.db2.gz CIQGABJGXVGMEK-ZIAGYGMSSA-N 2 2 292.383 0.767 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000377942693 357631884 /nfs/dbraw/zinc/63/18/84/357631884.db2.gz CIQGABJGXVGMEK-ZIAGYGMSSA-N 2 2 292.383 0.767 20 0 CCADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]CC[C@@H]1CCOC1 ZINC000449397964 236032532 /nfs/dbraw/zinc/03/25/32/236032532.db2.gz WRDDFFMDYLJETJ-KGLIPLIRSA-N 2 2 256.390 0.849 20 0 CCADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]CC[C@@H]1CCOC1 ZINC000449397964 236032534 /nfs/dbraw/zinc/03/25/34/236032534.db2.gz WRDDFFMDYLJETJ-KGLIPLIRSA-N 2 2 256.390 0.849 20 0 CCADLP Cc1nc(N(C)CC2CC[NH+](C)CC2)nc(N)[nH+]1 ZINC000385080393 357724377 /nfs/dbraw/zinc/72/43/77/357724377.db2.gz WLSXZFOJVVEEGX-UHFFFAOYSA-N 2 2 250.350 0.371 20 0 CCADLP Cc1nc(N)nc(N(C)CC2CC[NH+](C)CC2)[nH+]1 ZINC000385080393 357724384 /nfs/dbraw/zinc/72/43/84/357724384.db2.gz WLSXZFOJVVEEGX-UHFFFAOYSA-N 2 2 250.350 0.371 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCc1ccccn1 ZINC000381148580 357708312 /nfs/dbraw/zinc/70/83/12/357708312.db2.gz JIEAXRBHAMLPSS-CQSZACIVSA-N 2 2 251.374 0.869 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCc1ccccn1 ZINC000381148580 357708317 /nfs/dbraw/zinc/70/83/17/357708317.db2.gz JIEAXRBHAMLPSS-CQSZACIVSA-N 2 2 251.374 0.869 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCc1ccccn1 ZINC000381148580 357708321 /nfs/dbraw/zinc/70/83/21/357708321.db2.gz JIEAXRBHAMLPSS-CQSZACIVSA-N 2 2 251.374 0.869 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCc1ccccn1 ZINC000381148580 357708326 /nfs/dbraw/zinc/70/83/26/357708326.db2.gz JIEAXRBHAMLPSS-CQSZACIVSA-N 2 2 251.374 0.869 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)CCC(F)(F)F ZINC000386494663 357730784 /nfs/dbraw/zinc/73/07/84/357730784.db2.gz YENDRCYXRJEJSH-SNVBAGLBSA-N 2 2 272.311 0.810 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)CCC(F)(F)F ZINC000386494663 357730787 /nfs/dbraw/zinc/73/07/87/357730787.db2.gz YENDRCYXRJEJSH-SNVBAGLBSA-N 2 2 272.311 0.810 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)CCC(F)(F)F ZINC000386494663 357730791 /nfs/dbraw/zinc/73/07/91/357730791.db2.gz YENDRCYXRJEJSH-SNVBAGLBSA-N 2 2 272.311 0.810 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)CCC(F)(F)F ZINC000386494663 357730795 /nfs/dbraw/zinc/73/07/95/357730795.db2.gz YENDRCYXRJEJSH-SNVBAGLBSA-N 2 2 272.311 0.810 20 0 CCADLP Cc1n[nH]c(CC[NH2+]Cc2c[nH+]c(N(C)C)n2C)n1 ZINC000392424545 357749026 /nfs/dbraw/zinc/74/90/26/357749026.db2.gz XKJICZJUVPKACS-UHFFFAOYSA-N 2 2 263.349 0.245 20 0 CCADLP CN(C)C1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655777806 412661106 /nfs/dbraw/zinc/66/11/06/412661106.db2.gz ZMRUVWVEBWOTIL-CQSZACIVSA-N 2 2 267.417 0.924 20 0 CCADLP O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000408126749 357928307 /nfs/dbraw/zinc/92/83/07/357928307.db2.gz BHIVLNNTWQNYCA-STQMWFEESA-N 2 2 289.383 0.463 20 0 CCADLP O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000408126749 357928309 /nfs/dbraw/zinc/92/83/09/357928309.db2.gz BHIVLNNTWQNYCA-STQMWFEESA-N 2 2 289.383 0.463 20 0 CCADLP Cc1cnc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)o1 ZINC000408099787 357919681 /nfs/dbraw/zinc/91/96/81/357919681.db2.gz PPBWGKUKQAAWSB-UHFFFAOYSA-N 2 2 295.383 0.642 20 0 CCADLP C[C@]1(C[NH3+])CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000417500266 358133808 /nfs/dbraw/zinc/13/38/08/358133808.db2.gz HDUMCFSTVMSLHU-OAHLLOKOSA-N 2 2 298.431 0.478 20 0 CCADLP C[C@]1(C[NH3+])CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000417500266 358133812 /nfs/dbraw/zinc/13/38/12/358133812.db2.gz HDUMCFSTVMSLHU-OAHLLOKOSA-N 2 2 298.431 0.478 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC(C)(C)C2)C1 ZINC000619903963 366385684 /nfs/dbraw/zinc/38/56/84/366385684.db2.gz IWYRBZGAFQMLMG-GFCCVEGCSA-N 2 2 253.390 0.929 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC(C)(C)C2)C1 ZINC000619903963 366385690 /nfs/dbraw/zinc/38/56/90/366385690.db2.gz IWYRBZGAFQMLMG-GFCCVEGCSA-N 2 2 253.390 0.929 20 0 CCADLP C[C@@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H](C[NH3+])C1 ZINC000420344136 358179453 /nfs/dbraw/zinc/17/94/53/358179453.db2.gz SCHYWSXLCRXUSS-KGLIPLIRSA-N 3 2 282.432 0.210 20 0 CCADLP C[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H](C[NH3+])C1 ZINC000420344136 358179455 /nfs/dbraw/zinc/17/94/55/358179455.db2.gz SCHYWSXLCRXUSS-KGLIPLIRSA-N 3 2 282.432 0.210 20 0 CCADLP C[C@@H]1CC[N@H+](CCCS(=O)(=O)N(C)C)[C@H](C[NH3+])C1 ZINC000420347187 358180561 /nfs/dbraw/zinc/18/05/61/358180561.db2.gz XXDTVUNXQLPLLM-NEPJUHHUSA-N 2 2 277.434 0.327 20 0 CCADLP C[C@@H]1CC[N@@H+](CCCS(=O)(=O)N(C)C)[C@H](C[NH3+])C1 ZINC000420347187 358180566 /nfs/dbraw/zinc/18/05/66/358180566.db2.gz XXDTVUNXQLPLLM-NEPJUHHUSA-N 2 2 277.434 0.327 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCc3c(nnn3C)C2)n1C ZINC000655841205 412667657 /nfs/dbraw/zinc/66/76/57/412667657.db2.gz UTCIKAPKJCRIIE-SNVBAGLBSA-N 2 2 289.387 0.262 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H](C)CS(C)(=O)=O)C1 ZINC000430611679 358228527 /nfs/dbraw/zinc/22/85/27/358228527.db2.gz OTHVMLUCCIQWFF-RYUDHWBXSA-N 2 2 262.419 0.599 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H](C)CS(C)(=O)=O)C1 ZINC000430611679 358228530 /nfs/dbraw/zinc/22/85/30/358228530.db2.gz OTHVMLUCCIQWFF-RYUDHWBXSA-N 2 2 262.419 0.599 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456212186 358272272 /nfs/dbraw/zinc/27/22/72/358272272.db2.gz GTISLZVRKYBMEV-TUVASFSCSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456212186 358272274 /nfs/dbraw/zinc/27/22/74/358272274.db2.gz GTISLZVRKYBMEV-TUVASFSCSA-N 2 2 295.427 0.839 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2(C)C)C1 ZINC000562340428 291145048 /nfs/dbraw/zinc/14/50/48/291145048.db2.gz JXGXEWXQWXQJAL-KBPBESRZSA-N 2 2 297.443 0.990 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H]2CCC(=O)NC2(C)C)C1 ZINC000562340428 291145050 /nfs/dbraw/zinc/14/50/50/291145050.db2.gz JXGXEWXQWXQJAL-KBPBESRZSA-N 2 2 297.443 0.990 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000562340430 291145140 /nfs/dbraw/zinc/14/51/40/291145140.db2.gz JXGXEWXQWXQJAL-UONOGXRCSA-N 2 2 297.443 0.990 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000562340430 291145143 /nfs/dbraw/zinc/14/51/43/291145143.db2.gz JXGXEWXQWXQJAL-UONOGXRCSA-N 2 2 297.443 0.990 20 0 CCADLP CCCNC(=O)CN(C)C(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231669713 283363268 /nfs/dbraw/zinc/36/32/68/283363268.db2.gz VDIXQPAMUAJDPR-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CCCNC(=O)CN(C)C(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231669713 283363271 /nfs/dbraw/zinc/36/32/71/283363271.db2.gz VDIXQPAMUAJDPR-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157421247 283360115 /nfs/dbraw/zinc/36/01/15/283360115.db2.gz ZABQDMAINCXBCC-OLZOCXBDSA-N 2 2 296.415 0.781 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157421247 283360116 /nfs/dbraw/zinc/36/01/16/283360116.db2.gz ZABQDMAINCXBCC-OLZOCXBDSA-N 2 2 296.415 0.781 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)Cn1cc[nH+]c1 ZINC000531086173 358440833 /nfs/dbraw/zinc/44/08/33/358440833.db2.gz VSEUMLBJWAGJBS-VXGBXAGGSA-N 2 2 250.346 0.587 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)Cn1cc[nH+]c1 ZINC000531086173 358440836 /nfs/dbraw/zinc/44/08/36/358440836.db2.gz VSEUMLBJWAGJBS-VXGBXAGGSA-N 2 2 250.346 0.587 20 0 CCADLP O=C(NCCCCn1cc[nH+]c1)NCC[NH+]1CCC1 ZINC000533566082 358543409 /nfs/dbraw/zinc/54/34/09/358543409.db2.gz HQPLINCQCZJTKX-UHFFFAOYSA-N 2 2 265.361 0.668 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@H]2CSC2(C)C)C[C@H](C)O1 ZINC000567707949 358573956 /nfs/dbraw/zinc/57/39/56/358573956.db2.gz GDNUPPUBERMACF-XQHKEYJVSA-N 2 2 288.457 0.940 20 0 CCADLP CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000567708769 358574586 /nfs/dbraw/zinc/57/45/86/358574586.db2.gz WFBZDVUBYMHZKP-MNOVXSKESA-N 2 2 281.356 0.561 20 0 CCADLP CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000567708769 358574590 /nfs/dbraw/zinc/57/45/90/358574590.db2.gz WFBZDVUBYMHZKP-MNOVXSKESA-N 2 2 281.356 0.561 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000562496609 291155663 /nfs/dbraw/zinc/15/56/63/291155663.db2.gz UVNWVRYOSUXDKZ-JQWIXIFHSA-N 2 2 262.357 0.941 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000562496609 291155665 /nfs/dbraw/zinc/15/56/65/291155665.db2.gz UVNWVRYOSUXDKZ-JQWIXIFHSA-N 2 2 262.357 0.941 20 0 CCADLP Cn1nc(C2CC2)nc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000567893683 358608000 /nfs/dbraw/zinc/60/80/00/358608000.db2.gz JGAZZAWGLRTYEX-ZDUSSCGKSA-N 2 2 290.415 0.172 20 0 CCADLP Cn1nc(C2CC2)nc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000567893683 358608003 /nfs/dbraw/zinc/60/80/03/358608003.db2.gz JGAZZAWGLRTYEX-ZDUSSCGKSA-N 2 2 290.415 0.172 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCSC[C@H]1C1CC1 ZINC000568181023 358642985 /nfs/dbraw/zinc/64/29/85/358642985.db2.gz IQWJUHVLGUDJRL-KBPBESRZSA-N 2 2 288.457 0.753 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCSC[C@H]1C1CC1 ZINC000568181023 358642989 /nfs/dbraw/zinc/64/29/89/358642989.db2.gz IQWJUHVLGUDJRL-KBPBESRZSA-N 2 2 288.457 0.753 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000568181023 358642994 /nfs/dbraw/zinc/64/29/94/358642994.db2.gz IQWJUHVLGUDJRL-KBPBESRZSA-N 2 2 288.457 0.753 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCSC[C@H]1C1CC1 ZINC000568181023 358642999 /nfs/dbraw/zinc/64/29/99/358642999.db2.gz IQWJUHVLGUDJRL-KBPBESRZSA-N 2 2 288.457 0.753 20 0 CCADLP C[NH2+]CCC1CCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000567908046 358611044 /nfs/dbraw/zinc/61/10/44/358611044.db2.gz PXYLBOZZXXIOEX-CQSZACIVSA-N 2 2 296.459 0.470 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000568051083 358628826 /nfs/dbraw/zinc/62/88/26/358628826.db2.gz WJASUPAXIZLCNK-UONOGXRCSA-N 3 2 255.406 0.375 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000568051083 358628828 /nfs/dbraw/zinc/62/88/28/358628828.db2.gz WJASUPAXIZLCNK-UONOGXRCSA-N 3 2 255.406 0.375 20 0 CCADLP C[C@H](C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)[NH+]1CC(C)C1 ZINC000574050872 334988153 /nfs/dbraw/zinc/98/81/53/334988153.db2.gz BAPBXQCXWRDCEW-BFHYXJOUSA-N 2 2 283.416 0.552 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(F)(F)[C@H](C)C1 ZINC000568176022 358640823 /nfs/dbraw/zinc/64/08/23/358640823.db2.gz OCWUWIMOXARWRR-VXGBXAGGSA-N 2 2 280.359 0.903 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(F)(F)[C@H](C)C1 ZINC000568176022 358640824 /nfs/dbraw/zinc/64/08/24/358640824.db2.gz OCWUWIMOXARWRR-VXGBXAGGSA-N 2 2 280.359 0.903 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000568176022 358640829 /nfs/dbraw/zinc/64/08/29/358640829.db2.gz OCWUWIMOXARWRR-VXGBXAGGSA-N 2 2 280.359 0.903 20 0 CCADLP [NH3+]Cc1cc(C(=O)NCC[N@@H+]2CCCOCC2)co1 ZINC000567825263 358594042 /nfs/dbraw/zinc/59/40/42/358594042.db2.gz GJKMRGCMHKEZPK-UHFFFAOYSA-N 2 2 267.329 0.190 20 0 CCADLP [NH3+]Cc1cc(C(=O)NCC[N@H+]2CCCOCC2)co1 ZINC000567825263 358594047 /nfs/dbraw/zinc/59/40/47/358594047.db2.gz GJKMRGCMHKEZPK-UHFFFAOYSA-N 2 2 267.329 0.190 20 0 CCADLP CNC(=O)C1C[NH+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000568363865 358667023 /nfs/dbraw/zinc/66/70/23/358667023.db2.gz VEMAPANETWSEEA-UHFFFAOYSA-N 2 2 285.351 0.754 20 0 CCADLP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@H]([NH3+])c3cscn3)[C@@H]2C1 ZINC000568500531 358678402 /nfs/dbraw/zinc/67/84/02/358678402.db2.gz MGLSJZQPSPWWMK-GRYCIOLGSA-N 2 2 296.396 0.074 20 0 CCADLP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@H]([NH3+])c3cscn3)[C@@H]2C1 ZINC000568500531 358678406 /nfs/dbraw/zinc/67/84/06/358678406.db2.gz MGLSJZQPSPWWMK-GRYCIOLGSA-N 2 2 296.396 0.074 20 0 CCADLP C[C@@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)C1C[NH2+]C1 ZINC000568513210 358681759 /nfs/dbraw/zinc/68/17/59/358681759.db2.gz KSQQIXCUMCNYAR-PWSUYJOCSA-N 2 2 296.392 0.419 20 0 CCADLP CO[C@@H]1CCC[C@@H]1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000568609762 358688172 /nfs/dbraw/zinc/68/81/72/358688172.db2.gz LRLDJCFNYQUONN-FRRDWIJNSA-N 2 2 284.404 0.086 20 0 CCADLP CO[C@@H]1CCC[C@@H]1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000568609762 358688173 /nfs/dbraw/zinc/68/81/73/358688173.db2.gz LRLDJCFNYQUONN-FRRDWIJNSA-N 2 2 284.404 0.086 20 0 CCADLP Nc1ccc(NC(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)c[nH+]1 ZINC000568630731 358691655 /nfs/dbraw/zinc/69/16/55/358691655.db2.gz QMHNVMYAAHCUNZ-QMMMGPOBSA-N 2 2 272.312 0.546 20 0 CCADLP C[C@H](C(=O)NCC[N@H+]1CC=CCC1)[NH+]1CC(C)C1 ZINC000568652708 358695449 /nfs/dbraw/zinc/69/54/49/358695449.db2.gz URJAGPMHYZVSBV-CYBMUJFWSA-N 2 2 251.374 0.705 20 0 CCADLP C[C@H](C(=O)NCC[N@@H+]1CC=CCC1)[NH+]1CC(C)C1 ZINC000568652708 358695451 /nfs/dbraw/zinc/69/54/51/358695451.db2.gz URJAGPMHYZVSBV-CYBMUJFWSA-N 2 2 251.374 0.705 20 0 CCADLP CCO[C@H](C)c1noc(CN2CC[NH+](CCC[NH3+])CC2)n1 ZINC000569344632 358755277 /nfs/dbraw/zinc/75/52/77/358755277.db2.gz UQEBBLMJYUXVJZ-GFCCVEGCSA-N 2 2 297.403 0.634 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000568856026 358710073 /nfs/dbraw/zinc/71/00/73/358710073.db2.gz JJONHQZYLPHPTI-CYBMUJFWSA-N 2 2 298.431 0.478 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000568856026 358710077 /nfs/dbraw/zinc/71/00/77/358710077.db2.gz JJONHQZYLPHPTI-CYBMUJFWSA-N 2 2 298.431 0.478 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3cccc4c3OCO4)CCN2C1=O ZINC000568902001 358716952 /nfs/dbraw/zinc/71/69/52/358716952.db2.gz QXJJTUJTECPVNF-NWDGAFQWSA-N 2 2 289.335 0.159 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3cccc4c3OCO4)CCN2C1=O ZINC000568902001 358716956 /nfs/dbraw/zinc/71/69/56/358716956.db2.gz QXJJTUJTECPVNF-NWDGAFQWSA-N 2 2 289.335 0.159 20 0 CCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)CCOC1C[NH2+]C1 ZINC000569567947 358774023 /nfs/dbraw/zinc/77/40/23/358774023.db2.gz UGYWJYLJSPOXHF-UHFFFAOYSA-N 2 2 292.383 0.556 20 0 CCADLP C[C@]1(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)CCC[NH2+]1 ZINC000569920097 358804855 /nfs/dbraw/zinc/80/48/55/358804855.db2.gz HWEPYBWVSMEZKH-MWLCHTKSSA-N 2 2 261.316 0.490 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](CO)C(C)(C)C ZINC000570507554 358863350 /nfs/dbraw/zinc/86/33/50/358863350.db2.gz DILOJACRXVUATF-STQMWFEESA-N 2 2 276.421 0.264 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](CO)C(C)(C)C ZINC000570507554 358863355 /nfs/dbraw/zinc/86/33/55/358863355.db2.gz DILOJACRXVUATF-STQMWFEESA-N 2 2 276.421 0.264 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](CO)C(C)(C)C ZINC000570507554 358863358 /nfs/dbraw/zinc/86/33/58/358863358.db2.gz DILOJACRXVUATF-STQMWFEESA-N 2 2 276.421 0.264 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](CO)C(C)(C)C ZINC000570507554 358863363 /nfs/dbraw/zinc/86/33/63/358863363.db2.gz DILOJACRXVUATF-STQMWFEESA-N 2 2 276.421 0.264 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@H](CO)C(C)(C)C ZINC000570507552 358863473 /nfs/dbraw/zinc/86/34/73/358863473.db2.gz DILOJACRXVUATF-QWHCGFSZSA-N 2 2 276.421 0.264 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](CO)C(C)(C)C ZINC000570507552 358863476 /nfs/dbraw/zinc/86/34/76/358863476.db2.gz DILOJACRXVUATF-QWHCGFSZSA-N 2 2 276.421 0.264 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@H](CO)C(C)(C)C ZINC000570507552 358863480 /nfs/dbraw/zinc/86/34/80/358863480.db2.gz DILOJACRXVUATF-QWHCGFSZSA-N 2 2 276.421 0.264 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](CO)C(C)(C)C ZINC000570507552 358863482 /nfs/dbraw/zinc/86/34/82/358863482.db2.gz DILOJACRXVUATF-QWHCGFSZSA-N 2 2 276.421 0.264 20 0 CCADLP C[C@@H]([NH2+]C1CC1)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000570208263 358833686 /nfs/dbraw/zinc/83/36/86/358833686.db2.gz UUVWKQQWOVVWFU-GFCCVEGCSA-N 2 2 291.399 0.205 20 0 CCADLP Cc1nc(N(C)C)nc(NCC[C@H]2CCC[NH2+]C2)[nH+]1 ZINC000570667746 358881606 /nfs/dbraw/zinc/88/16/06/358881606.db2.gz GYQAMLQJMQQPNB-LLVKDONJSA-N 2 2 264.377 0.470 20 0 CCADLP Cc1nc(NCC[C@H]2CCC[NH2+]C2)nc(N(C)C)[nH+]1 ZINC000570667746 358881609 /nfs/dbraw/zinc/88/16/09/358881609.db2.gz GYQAMLQJMQQPNB-LLVKDONJSA-N 2 2 264.377 0.470 20 0 CCADLP C[C@@H](O)CNc1cc(N2CC[C@H]([NH+]3CCCC3)C2)nc[nH+]1 ZINC000562721658 291165166 /nfs/dbraw/zinc/16/51/66/291165166.db2.gz NYICVPHZZHGOTR-OLZOCXBDSA-N 2 2 291.399 0.944 20 0 CCADLP Cc1cccc2[nH+]c(CN3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)cn21 ZINC000573220461 358949435 /nfs/dbraw/zinc/94/94/35/358949435.db2.gz ANUKXJZNWINISR-KBPBESRZSA-N 2 2 299.378 0.387 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)CCC1(F)F ZINC000336191000 213010206 /nfs/dbraw/zinc/01/02/06/213010206.db2.gz UBHLKHRJPCEMDH-LLVKDONJSA-N 2 2 275.343 0.738 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CCC1(F)F ZINC000336191000 213010208 /nfs/dbraw/zinc/01/02/08/213010208.db2.gz UBHLKHRJPCEMDH-LLVKDONJSA-N 2 2 275.343 0.738 20 0 CCADLP CCN(C)C(=O)CC[N@@H+]1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000573723942 358994920 /nfs/dbraw/zinc/99/49/20/358994920.db2.gz HQCQIROZBAMLSB-RYUDHWBXSA-N 2 2 257.378 0.293 20 0 CCADLP CCN(C)C(=O)CC[N@H+]1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000573723942 358994926 /nfs/dbraw/zinc/99/49/26/358994926.db2.gz HQCQIROZBAMLSB-RYUDHWBXSA-N 2 2 257.378 0.293 20 0 CCADLP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)[C@@H](O)C(F)F ZINC000573802683 359000703 /nfs/dbraw/zinc/00/07/03/359000703.db2.gz SUOBIFQLPZJCKF-OUAUKWLOSA-N 2 2 266.332 0.436 20 0 CCADLP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H](O)C(F)F ZINC000573802683 359000704 /nfs/dbraw/zinc/00/07/04/359000704.db2.gz SUOBIFQLPZJCKF-OUAUKWLOSA-N 2 2 266.332 0.436 20 0 CCADLP CC1(C)NC(=O)CC[C@@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000580027449 359076118 /nfs/dbraw/zinc/07/61/18/359076118.db2.gz RIBHHPDDGJCOHH-SKDRFNHKSA-N 2 2 262.357 0.914 20 0 CCADLP CC1(C)NC(=O)CC[C@@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000580027449 359076123 /nfs/dbraw/zinc/07/61/23/359076123.db2.gz RIBHHPDDGJCOHH-SKDRFNHKSA-N 2 2 262.357 0.914 20 0 CCADLP C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)C[C@H](C)[NH3+] ZINC000580834698 359099223 /nfs/dbraw/zinc/09/92/23/359099223.db2.gz STFWJMVKHOZAQM-VHSXEESVSA-N 2 2 271.386 0.674 20 0 CCADLP C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)C[C@H](C)[NH3+] ZINC000580834698 359099224 /nfs/dbraw/zinc/09/92/24/359099224.db2.gz STFWJMVKHOZAQM-VHSXEESVSA-N 2 2 271.386 0.674 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC2CC(C)(F)C2)[C@@H](C[NH3+])C1 ZINC000562818924 291169892 /nfs/dbraw/zinc/16/98/92/291169892.db2.gz ZAKHZMAFIGTAPV-YZRBJQDESA-N 2 2 258.341 0.161 20 0 CCADLP CCc1cc(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc(=O)[nH]1 ZINC000582359144 359138554 /nfs/dbraw/zinc/13/85/54/359138554.db2.gz RRLUKBRKQQSWFP-GFCCVEGCSA-N 2 2 278.356 0.065 20 0 CCADLP CCc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc(=O)[nH]1 ZINC000582359144 359138556 /nfs/dbraw/zinc/13/85/56/359138556.db2.gz RRLUKBRKQQSWFP-GFCCVEGCSA-N 2 2 278.356 0.065 20 0 CCADLP COC(=O)C1(C[NH+]2CCN(Cc3[nH+]ccn3C)CC2)CC1 ZINC000584820391 359210565 /nfs/dbraw/zinc/21/05/65/359210565.db2.gz ZAKVPDKNQFKHFZ-UHFFFAOYSA-N 2 2 292.383 0.491 20 0 CCADLP COC[C@@H](O)C[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000562997843 291180220 /nfs/dbraw/zinc/18/02/20/291180220.db2.gz XTGYPLACWDSYMG-NEPJUHHUSA-N 2 2 253.346 0.666 20 0 CCADLP CC[NH+]1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000591103049 359558772 /nfs/dbraw/zinc/55/87/72/359558772.db2.gz WHMPCLHIOIDWLD-UHFFFAOYSA-N 2 2 250.346 0.827 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000591450950 359594599 /nfs/dbraw/zinc/59/45/99/359594599.db2.gz SNWNRYLBRVKMGY-LBPRGKRZSA-N 2 2 262.357 0.998 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000591450950 359594603 /nfs/dbraw/zinc/59/46/03/359594603.db2.gz SNWNRYLBRVKMGY-LBPRGKRZSA-N 2 2 262.357 0.998 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CCO)C2)CC1 ZINC000591476299 359597926 /nfs/dbraw/zinc/59/79/26/359597926.db2.gz MFNLVJHRPWIGBP-CABCVRRESA-N 2 2 297.443 0.633 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](CCO)C2)CC1 ZINC000591476299 359597931 /nfs/dbraw/zinc/59/79/31/359597931.db2.gz MFNLVJHRPWIGBP-CABCVRRESA-N 2 2 297.443 0.633 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000591571597 359599942 /nfs/dbraw/zinc/59/99/42/359599942.db2.gz QSCRLLMUFXHQFU-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000591571597 359599943 /nfs/dbraw/zinc/59/99/43/359599943.db2.gz QSCRLLMUFXHQFU-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000591571597 359599945 /nfs/dbraw/zinc/59/99/45/359599945.db2.gz QSCRLLMUFXHQFU-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000591571597 359599947 /nfs/dbraw/zinc/59/99/47/359599947.db2.gz QSCRLLMUFXHQFU-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP C[NH+](C)C1(CNC(=O)C=Cc2c[nH]c[nH+]2)CCOCC1 ZINC000492863261 237323710 /nfs/dbraw/zinc/32/37/10/237323710.db2.gz MDJKTNCQGZWDSE-ARJAWSKDSA-N 2 2 278.356 0.650 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC(C)(C)N1CCOCC1 ZINC000133414551 296000872 /nfs/dbraw/zinc/00/08/72/296000872.db2.gz CGOLBORJZCXWRK-UONOGXRCSA-N 2 2 285.432 0.454 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000592433328 359839827 /nfs/dbraw/zinc/83/98/27/359839827.db2.gz JLPSJXXZTOPMDS-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000592433328 359839830 /nfs/dbraw/zinc/83/98/30/359839830.db2.gz JLPSJXXZTOPMDS-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)NC(=O)NC1CCCC1 ZINC000592475692 359850825 /nfs/dbraw/zinc/85/08/25/359850825.db2.gz UGUYMRYUHMVBFO-CQSZACIVSA-N 2 2 284.404 0.718 20 0 CCADLP COC(=O)[C@@H](C)C[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000592493296 359857332 /nfs/dbraw/zinc/85/73/32/359857332.db2.gz GEIVCKVXRPCZQD-QMMMGPOBSA-N 2 2 270.333 0.504 20 0 CCADLP COC(=O)[C@@H](C)C[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000592493296 359857340 /nfs/dbraw/zinc/85/73/40/359857340.db2.gz GEIVCKVXRPCZQD-QMMMGPOBSA-N 2 2 270.333 0.504 20 0 CCADLP NC(=O)NC(=O)CC[N@@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000592495295 359858846 /nfs/dbraw/zinc/85/88/46/359858846.db2.gz RKWXHKCUWVWFRC-LBPRGKRZSA-N 2 2 276.340 0.130 20 0 CCADLP NC(=O)NC(=O)CC[N@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000592495295 359858853 /nfs/dbraw/zinc/85/88/53/359858853.db2.gz RKWXHKCUWVWFRC-LBPRGKRZSA-N 2 2 276.340 0.130 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC000611269096 363699744 /nfs/dbraw/zinc/69/97/44/363699744.db2.gz PDIFNNGRKSCGJM-CQSZACIVSA-N 2 2 263.389 0.622 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC000611269096 363699747 /nfs/dbraw/zinc/69/97/47/363699747.db2.gz PDIFNNGRKSCGJM-CQSZACIVSA-N 2 2 263.389 0.622 20 0 CCADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)[C@H]1CC[NH2+]C1 ZINC000422979438 299302962 /nfs/dbraw/zinc/30/29/62/299302962.db2.gz MSQIFBHWOHSGNU-SOUVJXGZSA-N 3 2 269.433 0.667 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cc[nH]c2)CC1 ZINC000177138871 189031437 /nfs/dbraw/zinc/03/14/37/189031437.db2.gz RTOVATDMFCBIOU-UHFFFAOYSA-N 2 2 264.373 0.771 20 0 CCADLP CCOc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)nc1 ZINC000594736679 360369322 /nfs/dbraw/zinc/36/93/22/360369322.db2.gz JUWZAIHGLMNSIC-OCCSQVGLSA-N 2 2 290.367 0.224 20 0 CCADLP CCOc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)nc1 ZINC000594736679 360369324 /nfs/dbraw/zinc/36/93/24/360369324.db2.gz JUWZAIHGLMNSIC-OCCSQVGLSA-N 2 2 290.367 0.224 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3nc4c(s3)CCC4)CCN2C1=O ZINC000594736406 360369893 /nfs/dbraw/zinc/36/98/93/360369893.db2.gz FXOBCGHJJHVRFT-UWVGGRQHSA-N 2 2 292.408 0.376 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3nc4c(s3)CCC4)CCN2C1=O ZINC000594736406 360369901 /nfs/dbraw/zinc/36/99/01/360369901.db2.gz FXOBCGHJJHVRFT-UWVGGRQHSA-N 2 2 292.408 0.376 20 0 CCADLP O=C1NCC[C@H]1[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000178204247 189097731 /nfs/dbraw/zinc/09/77/31/189097731.db2.gz PXJDCMGLEBTCGY-VXGBXAGGSA-N 2 2 260.341 0.704 20 0 CCADLP O=C1NCC[C@H]1[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000178204247 189097732 /nfs/dbraw/zinc/09/77/32/189097732.db2.gz PXJDCMGLEBTCGY-VXGBXAGGSA-N 2 2 260.341 0.704 20 0 CCADLP COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CCc1cc[nH+]cc1C ZINC000595658140 360607002 /nfs/dbraw/zinc/60/70/02/360607002.db2.gz BOXHQTGANHYIMD-QWHCGFSZSA-N 2 2 264.325 0.853 20 0 CCADLP COC(=O)[C@H]1C[C@@H]([N@H+](C)C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000595856155 360679728 /nfs/dbraw/zinc/67/97/28/360679728.db2.gz IXXYZOHWDBFBRW-UHTWSYAYSA-N 2 2 270.373 0.325 20 0 CCADLP COC(=O)[C@H]1C[C@@H]([N@@H+](C)C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000595856155 360679731 /nfs/dbraw/zinc/67/97/31/360679731.db2.gz IXXYZOHWDBFBRW-UHTWSYAYSA-N 2 2 270.373 0.325 20 0 CCADLP COC(=O)[C@H]1C[C@@H]([NH+](C)C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000595856155 360679733 /nfs/dbraw/zinc/67/97/33/360679733.db2.gz IXXYZOHWDBFBRW-UHTWSYAYSA-N 2 2 270.373 0.325 20 0 CCADLP COC(=O)[C@H]1C[C@@H]([NH+](C)C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000595856155 360679736 /nfs/dbraw/zinc/67/97/36/360679736.db2.gz IXXYZOHWDBFBRW-UHTWSYAYSA-N 2 2 270.373 0.325 20 0 CCADLP COC(=O)CCN1CCC[C@H]([N@H+](C)CC(C)(C)[NH3+])C1=O ZINC000595900747 360698017 /nfs/dbraw/zinc/69/80/17/360698017.db2.gz JVWSZZJRFHVHDF-NSHDSACASA-N 2 2 285.388 0.210 20 0 CCADLP COC(=O)CCN1CCC[C@H]([N@@H+](C)CC(C)(C)[NH3+])C1=O ZINC000595900747 360698021 /nfs/dbraw/zinc/69/80/21/360698021.db2.gz JVWSZZJRFHVHDF-NSHDSACASA-N 2 2 285.388 0.210 20 0 CCADLP Cc1ncc(C[NH+]2CCN(C(=O)[C@H]3CC[NH2+]C3)CC2)s1 ZINC000178884111 189152661 /nfs/dbraw/zinc/15/26/61/189152661.db2.gz CZNFAOIGDPIWMH-LBPRGKRZSA-N 2 2 294.424 0.705 20 0 CCADLP O=C(NC[C@H]1CCC[NH2+]1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000178784649 189145579 /nfs/dbraw/zinc/14/55/79/189145579.db2.gz PQLXKGFBVBIBPS-GFCCVEGCSA-N 2 2 271.324 0.749 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cccc2c1OCCO2 ZINC000178999102 189160818 /nfs/dbraw/zinc/16/08/18/189160818.db2.gz RWJJBOPJRKDEMP-HNNXBMFYSA-N 2 2 280.368 0.860 20 0 CCADLP COC(=O)Cc1cc[nH+]c(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC000596214290 360837976 /nfs/dbraw/zinc/83/79/76/360837976.db2.gz RVPOTMCCROKIQK-BETUJISGSA-N 2 2 275.352 0.795 20 0 CCADLP COC(=O)Cc1cc[nH+]c(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1 ZINC000596214290 360837979 /nfs/dbraw/zinc/83/79/79/360837979.db2.gz RVPOTMCCROKIQK-BETUJISGSA-N 2 2 275.352 0.795 20 0 CCADLP COC[C@@](C)(CC(=O)OC)[NH2+]Cc1c[nH+]c(C)n1C ZINC000597081513 361005658 /nfs/dbraw/zinc/00/56/58/361005658.db2.gz BMEVKUOOLSNRCY-CYBMUJFWSA-N 2 2 269.345 0.786 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCCS(=O)(=O)N(C)C ZINC000430642996 296027683 /nfs/dbraw/zinc/02/76/83/296027683.db2.gz WIVZJPKIFCEOJJ-VXGBXAGGSA-N 2 2 277.434 0.470 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCCS(=O)(=O)N(C)C ZINC000430642996 296027685 /nfs/dbraw/zinc/02/76/85/296027685.db2.gz WIVZJPKIFCEOJJ-VXGBXAGGSA-N 2 2 277.434 0.470 20 0 CCADLP COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000597188614 361027568 /nfs/dbraw/zinc/02/75/68/361027568.db2.gz VIOORVYRGYMQJW-CMPLNLGQSA-N 2 2 265.313 0.249 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCC(F)(F)F)C1 ZINC000163255214 296029255 /nfs/dbraw/zinc/02/92/55/296029255.db2.gz GPZJZZVPTRUPNG-SFYZADRCSA-N 2 2 253.268 0.334 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCC(F)(F)F)C1 ZINC000163255214 296029256 /nfs/dbraw/zinc/02/92/56/296029256.db2.gz GPZJZZVPTRUPNG-SFYZADRCSA-N 2 2 253.268 0.334 20 0 CCADLP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](C)S(C)(=O)=O)C1 ZINC000563806524 291251273 /nfs/dbraw/zinc/25/12/73/291251273.db2.gz ZEKHQPKXHGEZDK-CHWSQXEVSA-N 2 2 276.446 0.987 20 0 CCADLP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](C)S(C)(=O)=O)C1 ZINC000563806524 291251274 /nfs/dbraw/zinc/25/12/74/291251274.db2.gz ZEKHQPKXHGEZDK-CHWSQXEVSA-N 2 2 276.446 0.987 20 0 CCADLP C[C@H]([NH2+]C[C@H]1CC[C@H](C(=O)N(C)C)O1)[C@@H]1CCC[NH2+]1 ZINC000423012113 299319820 /nfs/dbraw/zinc/31/98/20/299319820.db2.gz CKYOSVOZIYQEGS-QNWHQSFQSA-N 2 2 269.389 0.352 20 0 CCADLP CN(C[C@@H]1CCC[N@@H+]1C)c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000563833266 291254017 /nfs/dbraw/zinc/25/40/17/291254017.db2.gz MCLATFIKWVDIEE-NSHDSACASA-N 2 2 287.371 0.605 20 0 CCADLP CN(C[C@@H]1CCC[N@H+]1C)c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000563833266 291254020 /nfs/dbraw/zinc/25/40/20/291254020.db2.gz MCLATFIKWVDIEE-NSHDSACASA-N 2 2 287.371 0.605 20 0 CCADLP CO[C@@H]1C[N@H+](CCCn2cc[nH+]c2)C[C@H]1c1c[nH]nn1 ZINC000621318295 366728217 /nfs/dbraw/zinc/72/82/17/366728217.db2.gz WSGJVZNDFMDROU-WCQYABFASA-N 2 2 276.344 0.506 20 0 CCADLP CO[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)C[C@H]1c1c[nH]nn1 ZINC000621318295 366728221 /nfs/dbraw/zinc/72/82/21/366728221.db2.gz WSGJVZNDFMDROU-WCQYABFASA-N 2 2 276.344 0.506 20 0 CCADLP CCCn1nccc1NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000631820867 370685519 /nfs/dbraw/zinc/68/55/19/370685519.db2.gz IUCYBKSPCODOIG-NSHDSACASA-N 2 2 265.361 0.512 20 0 CCADLP CCCn1nccc1NC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000631820867 370685522 /nfs/dbraw/zinc/68/55/22/370685522.db2.gz IUCYBKSPCODOIG-NSHDSACASA-N 2 2 265.361 0.512 20 0 CCADLP O=C1[C@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CCN1C1CCC1 ZINC000631826540 370692500 /nfs/dbraw/zinc/69/25/00/370692500.db2.gz QKDUUMJQHVCBHI-FPMFFAJLSA-N 2 2 263.385 0.824 20 0 CCADLP O=C1[C@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CCN1C1CCC1 ZINC000631826540 370692503 /nfs/dbraw/zinc/69/25/03/370692503.db2.gz QKDUUMJQHVCBHI-FPMFFAJLSA-N 2 2 263.385 0.824 20 0 CCADLP C[C@H](CNC(=O)N1CC[NH2+]CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970803 412719227 /nfs/dbraw/zinc/71/92/27/412719227.db2.gz MKQQBRBHJFGLJA-UPJWGTAASA-N 2 2 284.404 0.099 20 0 CCADLP C[C@H](CNC(=O)N1CC[NH2+]CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655970803 412719231 /nfs/dbraw/zinc/71/92/31/412719231.db2.gz MKQQBRBHJFGLJA-UPJWGTAASA-N 2 2 284.404 0.099 20 0 CCADLP C[C@](O)(CNc1cccc[nH+]1)C[NH+]1CCOCC1 ZINC000301748744 201173630 /nfs/dbraw/zinc/17/36/30/201173630.db2.gz HNBSXCZLIFKYLT-ZDUSSCGKSA-N 2 2 251.330 0.577 20 0 CCADLP CCOC(=O)C1CCC([NH2+]CC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000599086034 361568846 /nfs/dbraw/zinc/56/88/46/361568846.db2.gz XSNVSRKIXQIVKR-JXQTWKCFSA-N 2 2 284.400 0.765 20 0 CCADLP CCOC(=O)C1CCC([NH2+]CC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000599086034 361568853 /nfs/dbraw/zinc/56/88/53/361568853.db2.gz XSNVSRKIXQIVKR-JXQTWKCFSA-N 2 2 284.400 0.765 20 0 CCADLP Cc1c(C[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)cnn1C ZINC000564652355 291290576 /nfs/dbraw/zinc/29/05/76/291290576.db2.gz ZBOHDNLUJWEILS-HUBLWGQQSA-N 2 2 296.415 0.288 20 0 CCADLP Cc1c(C[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C ZINC000564652358 291290758 /nfs/dbraw/zinc/29/07/58/291290758.db2.gz ZBOHDNLUJWEILS-ZOWXZIJZSA-N 2 2 296.415 0.288 20 0 CCADLP Cc1c(C[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C ZINC000564652358 291290760 /nfs/dbraw/zinc/29/07/60/291290760.db2.gz ZBOHDNLUJWEILS-ZOWXZIJZSA-N 2 2 296.415 0.288 20 0 CCADLP C[C@@H](CN1CC[NH+](C)CC1)Nc1cc[nH+]cc1C(N)=O ZINC000302204309 201394011 /nfs/dbraw/zinc/39/40/11/201394011.db2.gz CJYPLBYAMPVAHF-NSHDSACASA-N 2 2 277.372 0.228 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612968356 364057640 /nfs/dbraw/zinc/05/76/40/364057640.db2.gz YBEGBBBLDNTZSA-VXGBXAGGSA-N 2 2 277.372 0.713 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612984428 364069110 /nfs/dbraw/zinc/06/91/10/364069110.db2.gz TZCGITHBMBLUQN-LLVKDONJSA-N 2 2 277.372 0.844 20 0 CCADLP [NH3+][C@@H]1CCCCC[N@H+](CCn2nc3ccccn3c2=O)C1 ZINC000631832780 370699285 /nfs/dbraw/zinc/69/92/85/370699285.db2.gz NFFWUKDUVGTVRN-CYBMUJFWSA-N 2 2 289.383 0.699 20 0 CCADLP [NH3+][C@@H]1CCCCC[N@@H+](CCn2nc3ccccn3c2=O)C1 ZINC000631832780 370699289 /nfs/dbraw/zinc/69/92/89/370699289.db2.gz NFFWUKDUVGTVRN-CYBMUJFWSA-N 2 2 289.383 0.699 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)Nc2nccs2)C[C@H]1C[NH3+] ZINC000631839989 370705473 /nfs/dbraw/zinc/70/54/73/370705473.db2.gz NUSAYQHVBNKFEP-RKDXNWHRSA-N 2 2 254.359 0.608 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)Nc2nccs2)C[C@H]1C[NH3+] ZINC000631839989 370705477 /nfs/dbraw/zinc/70/54/77/370705477.db2.gz NUSAYQHVBNKFEP-RKDXNWHRSA-N 2 2 254.359 0.608 20 0 CCADLP CCc1nocc1C[NH+]1CCC([NH2+]CCO)CC1 ZINC000631862520 370723519 /nfs/dbraw/zinc/72/35/19/370723519.db2.gz JPEWOUAHVDLIFX-UHFFFAOYSA-N 2 2 253.346 0.783 20 0 CCADLP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631866754 370726003 /nfs/dbraw/zinc/72/60/03/370726003.db2.gz XSCFZSQYWRLDRQ-LBPRGKRZSA-N 2 2 283.416 0.480 20 0 CCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCC([NH2+]CCO)CC1 ZINC000631865857 370726107 /nfs/dbraw/zinc/72/61/07/370726107.db2.gz IIMXTHKXXBKEBR-ZDUSSCGKSA-N 2 2 283.416 0.434 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)CC1 ZINC000631890451 370740188 /nfs/dbraw/zinc/74/01/88/370740188.db2.gz POLKYTJWLXFESH-CABCVRRESA-N 3 2 294.443 0.224 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)CC1 ZINC000631890451 370740189 /nfs/dbraw/zinc/74/01/89/370740189.db2.gz POLKYTJWLXFESH-CABCVRRESA-N 3 2 294.443 0.224 20 0 CCADLP C[C@@H]1CN(S(=O)(=O)CC2([NH+](C)C)CC2)C[C@@H](C)[NH2+]1 ZINC000631904461 370751372 /nfs/dbraw/zinc/75/13/72/370751372.db2.gz OKYBCGRHOGKZPZ-GHMZBOCLSA-N 2 2 275.418 0.093 20 0 CCADLP C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCn3c[nH+]cc3C1)C2 ZINC000614038317 364470395 /nfs/dbraw/zinc/47/03/95/364470395.db2.gz OLRCCDLSHWKSNQ-LBPRGKRZSA-N 2 2 274.368 0.610 20 0 CCADLP CC1(C)C[NH+](CC(=O)N2CC[C@@H]([NH+]3CCC3)[C@@H](F)C2)C1 ZINC000614090533 364499247 /nfs/dbraw/zinc/49/92/47/364499247.db2.gz PACRSLRJIYYJIL-QWHCGFSZSA-N 2 2 283.391 0.973 20 0 CCADLP CN1CCN(C(=O)c2ccc3[nH+]ccn3c2)[C@@H](C[NH3+])C1 ZINC000564943878 291322614 /nfs/dbraw/zinc/32/26/14/291322614.db2.gz AOURFSSGNNROMQ-LBPRGKRZSA-N 2 2 273.340 0.049 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000335637762 212353050 /nfs/dbraw/zinc/35/30/50/212353050.db2.gz IAUWBQXJUDCXAF-WDEREUQCSA-N 2 2 265.361 0.795 20 0 CCADLP C[C@@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[C@H](C)[NH+]1CCOCC1 ZINC000333361307 296069076 /nfs/dbraw/zinc/06/90/76/296069076.db2.gz LCWQWNCJQKYQIB-RQJABVFESA-N 2 2 296.415 0.099 20 0 CCADLP CCOC(=O)N1CCC[N@H+](C[C@](C)(O)C[NH2+]C)CC1 ZINC000496609145 240243753 /nfs/dbraw/zinc/24/37/53/240243753.db2.gz YSGLFFGKMZGUEQ-CYBMUJFWSA-N 2 2 273.377 0.121 20 0 CCADLP CCOC(=O)N1CCC[N@@H+](C[C@](C)(O)C[NH2+]C)CC1 ZINC000496609145 240243770 /nfs/dbraw/zinc/24/37/70/240243770.db2.gz YSGLFFGKMZGUEQ-CYBMUJFWSA-N 2 2 273.377 0.121 20 0 CCADLP O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CC[NH+](CCO)CC1 ZINC000252455240 296075392 /nfs/dbraw/zinc/07/53/92/296075392.db2.gz QAJBMSXENMVRGU-MCIONIFRSA-N 2 2 281.400 0.044 20 0 CCADLP C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC000615604217 365018016 /nfs/dbraw/zinc/01/80/16/365018016.db2.gz RRPOTWXPHJZYQX-CQSZACIVSA-N 2 2 262.357 0.827 20 0 CCADLP C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC000615604217 365018021 /nfs/dbraw/zinc/01/80/21/365018021.db2.gz RRPOTWXPHJZYQX-CQSZACIVSA-N 2 2 262.357 0.827 20 0 CCADLP COCC[N@@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000616407668 365309356 /nfs/dbraw/zinc/30/93/56/365309356.db2.gz CWYGMWBODILBMA-GFCCVEGCSA-N 2 2 280.372 0.488 20 0 CCADLP COCC[N@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000616407668 365309360 /nfs/dbraw/zinc/30/93/60/365309360.db2.gz CWYGMWBODILBMA-GFCCVEGCSA-N 2 2 280.372 0.488 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621784377 366867867 /nfs/dbraw/zinc/86/78/67/366867867.db2.gz OCECBCCWRUMAGV-HZSPNIEDSA-N 2 2 253.390 0.520 20 0 CCADLP CC(C)(C)n1nnc(CC[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)n1 ZINC000621784788 366867960 /nfs/dbraw/zinc/86/79/60/366867960.db2.gz VDVFXTNTIHJFKR-BXUZGUMPSA-N 2 2 278.404 0.784 20 0 CCADLP CC(C)(C)n1nnc(CC[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)n1 ZINC000621784788 366867964 /nfs/dbraw/zinc/86/79/64/366867964.db2.gz VDVFXTNTIHJFKR-BXUZGUMPSA-N 2 2 278.404 0.784 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000565182884 291353653 /nfs/dbraw/zinc/35/36/53/291353653.db2.gz SOJVAFVOTQGVHI-NWDGAFQWSA-N 2 2 250.346 0.730 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000565182884 291353657 /nfs/dbraw/zinc/35/36/57/291353657.db2.gz SOJVAFVOTQGVHI-NWDGAFQWSA-N 2 2 250.346 0.730 20 0 CCADLP CC[C@H](C(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO)[NH+](C)C ZINC000616866493 365464335 /nfs/dbraw/zinc/46/43/35/365464335.db2.gz CHQDBHJRXUJTQH-VXGBXAGGSA-N 2 2 296.415 0.936 20 0 CCADLP CC(C)(C(=O)NCC[NH+]1CCSCC1)c1c[nH]c[nH+]1 ZINC000621866505 366902749 /nfs/dbraw/zinc/90/27/49/366902749.db2.gz ZPHWPCUWXNRQDL-UHFFFAOYSA-N 2 2 282.413 0.852 20 0 CCADLP CC(C)(C(=O)N[C@H]1CCC[N@H+](CCCO)C1)c1c[nH]c[nH+]1 ZINC000622075027 367008607 /nfs/dbraw/zinc/00/86/07/367008607.db2.gz PYBDZJVIMIMJGT-LBPRGKRZSA-N 2 2 294.399 0.650 20 0 CCADLP CC(C)(C(=O)N[C@H]1CCC[N@@H+](CCCO)C1)c1c[nH]c[nH+]1 ZINC000622075027 367008608 /nfs/dbraw/zinc/00/86/08/367008608.db2.gz PYBDZJVIMIMJGT-LBPRGKRZSA-N 2 2 294.399 0.650 20 0 CCADLP CC(C)(C(=O)N[C@H]1CCC[N@H+](CCCO)C1)c1c[nH+]c[nH]1 ZINC000622075027 367008609 /nfs/dbraw/zinc/00/86/09/367008609.db2.gz PYBDZJVIMIMJGT-LBPRGKRZSA-N 2 2 294.399 0.650 20 0 CCADLP CC(C)(C(=O)N[C@H]1CCC[N@@H+](CCCO)C1)c1c[nH+]c[nH]1 ZINC000622075027 367008610 /nfs/dbraw/zinc/00/86/10/367008610.db2.gz PYBDZJVIMIMJGT-LBPRGKRZSA-N 2 2 294.399 0.650 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000622341915 367121354 /nfs/dbraw/zinc/12/13/54/367121354.db2.gz UGGLPZGLOKWQSJ-LLVKDONJSA-N 2 2 266.345 0.028 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000622341915 367121363 /nfs/dbraw/zinc/12/13/63/367121363.db2.gz UGGLPZGLOKWQSJ-LLVKDONJSA-N 2 2 266.345 0.028 20 0 CCADLP C[C@@H]1C[NH2+]CCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000566206372 291375742 /nfs/dbraw/zinc/37/57/42/291375742.db2.gz NVZSYORYQBABFC-LLVKDONJSA-N 2 2 271.324 0.701 20 0 CCADLP C[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@@H]1C[NH3+] ZINC000623179408 367467533 /nfs/dbraw/zinc/46/75/33/367467533.db2.gz MUAKOYXKKXZSQC-AGIUHOORSA-N 2 2 276.384 0.889 20 0 CCADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC[N@@H+]1C ZINC000623259731 367496654 /nfs/dbraw/zinc/49/66/54/367496654.db2.gz JGKHSRYBCAOQSA-SDDRHHMPSA-N 2 2 262.357 0.654 20 0 CCADLP C[C@H]1C[C@@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC[N@H+]1C ZINC000623259731 367496659 /nfs/dbraw/zinc/49/66/59/367496659.db2.gz JGKHSRYBCAOQSA-SDDRHHMPSA-N 2 2 262.357 0.654 20 0 CCADLP CC[NH2+]CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623175904 367462306 /nfs/dbraw/zinc/46/23/06/367462306.db2.gz RQCMWPYGVCPRGB-LLVKDONJSA-N 2 2 250.346 0.561 20 0 CCADLP COC[C@@]1(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CCC[NH2+]1 ZINC000623178374 367465470 /nfs/dbraw/zinc/46/54/70/367465470.db2.gz NXSWGFROGKSTSP-WFASDCNBSA-N 2 2 292.383 0.330 20 0 CCADLP C[NH+](C)CCCCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623266369 367504330 /nfs/dbraw/zinc/50/43/30/367504330.db2.gz YWZWRXOWYKPUMG-NSHDSACASA-N 2 2 250.346 0.656 20 0 CCADLP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)S(C)(=O)=O ZINC000623472329 367568949 /nfs/dbraw/zinc/56/89/49/367568949.db2.gz MFLOWFSTFICARR-WDEREUQCSA-N 2 2 262.419 0.882 20 0 CCADLP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)S(C)(=O)=O ZINC000623472329 367568952 /nfs/dbraw/zinc/56/89/52/367568952.db2.gz MFLOWFSTFICARR-WDEREUQCSA-N 2 2 262.419 0.882 20 0 CCADLP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]([NH3+])c1cscn1 ZINC000566298391 291391603 /nfs/dbraw/zinc/39/16/03/291391603.db2.gz XKSVUGVSXOMPFP-FOGDFJRCSA-N 2 2 280.397 0.838 20 0 CCADLP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H]([NH3+])c1cscn1 ZINC000566298391 291391604 /nfs/dbraw/zinc/39/16/04/291391604.db2.gz XKSVUGVSXOMPFP-FOGDFJRCSA-N 2 2 280.397 0.838 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2COCC[NH+]2C)C[N@@H+]1C1CC1 ZINC000623734932 367641040 /nfs/dbraw/zinc/64/10/40/367641040.db2.gz HXLIMFFMUZVJKV-BZPMIXESSA-N 2 2 296.415 0.241 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2COCC[NH+]2C)C[N@H+]1C1CC1 ZINC000623734932 367641046 /nfs/dbraw/zinc/64/10/46/367641046.db2.gz HXLIMFFMUZVJKV-BZPMIXESSA-N 2 2 296.415 0.241 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2COCC[N@@H+]2C)C[NH+]1C1CC1 ZINC000623734932 367641051 /nfs/dbraw/zinc/64/10/51/367641051.db2.gz HXLIMFFMUZVJKV-BZPMIXESSA-N 2 2 296.415 0.241 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2COCC[N@H+]2C)C[NH+]1C1CC1 ZINC000623734932 367641054 /nfs/dbraw/zinc/64/10/54/367641054.db2.gz HXLIMFFMUZVJKV-BZPMIXESSA-N 2 2 296.415 0.241 20 0 CCADLP CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000623719129 367633154 /nfs/dbraw/zinc/63/31/54/367633154.db2.gz HTYQTUCTJCXTIN-UONOGXRCSA-N 2 2 298.431 0.348 20 0 CCADLP CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000623719129 367633164 /nfs/dbraw/zinc/63/31/64/367633164.db2.gz HTYQTUCTJCXTIN-UONOGXRCSA-N 2 2 298.431 0.348 20 0 CCADLP CCC[NH+]1CC[C@@H](CNC(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000623719129 367633170 /nfs/dbraw/zinc/63/31/70/367633170.db2.gz HTYQTUCTJCXTIN-UONOGXRCSA-N 2 2 298.431 0.348 20 0 CCADLP CCC[NH+]1CC[C@@H](CNC(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000623719129 367633176 /nfs/dbraw/zinc/63/31/76/367633176.db2.gz HTYQTUCTJCXTIN-UONOGXRCSA-N 2 2 298.431 0.348 20 0 CCADLP COc1ccc(C[NH2+]CC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000623835955 367673357 /nfs/dbraw/zinc/67/33/57/367673357.db2.gz DYQVEFIXUVNZQY-ZDUSSCGKSA-N 2 2 250.342 0.851 20 0 CCADLP COc1ccc(C[NH2+]CC[N@H+]2CC[C@H](O)C2)cc1 ZINC000623835955 367673363 /nfs/dbraw/zinc/67/33/63/367673363.db2.gz DYQVEFIXUVNZQY-ZDUSSCGKSA-N 2 2 250.342 0.851 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccncn1 ZINC000624086318 367749907 /nfs/dbraw/zinc/74/99/07/367749907.db2.gz ATOJPMRBOHIYCP-AAEUAGOBSA-N 2 2 277.372 0.467 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccncn1 ZINC000624086318 367749909 /nfs/dbraw/zinc/74/99/09/367749909.db2.gz ATOJPMRBOHIYCP-AAEUAGOBSA-N 2 2 277.372 0.467 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC[C@H](C)[NH+](C)C)CC2 ZINC000623975422 367714505 /nfs/dbraw/zinc/71/45/05/367714505.db2.gz FBYLGTAPJPIXNU-RYUDHWBXSA-N 2 2 264.373 0.820 20 0 CCADLP CCOC1CCC([NH2+]CC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000624230719 367798399 /nfs/dbraw/zinc/79/83/99/367798399.db2.gz FCQYDZZPFRJJSK-ROKHWSDSSA-N 2 2 256.390 0.990 20 0 CCADLP CCOC1CCC([NH2+]CC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000624230719 367798401 /nfs/dbraw/zinc/79/84/01/367798401.db2.gz FCQYDZZPFRJJSK-ROKHWSDSSA-N 2 2 256.390 0.990 20 0 CCADLP O[C@H]1CC[N@H+](CCNc2cc[nH+]cc2Br)C1 ZINC000624773269 367988138 /nfs/dbraw/zinc/98/81/38/367988138.db2.gz GCXSCYCOLJFZSW-VIFPVBQESA-N 2 2 286.173 0.745 20 0 CCADLP O[C@H]1CC[N@@H+](CCNc2cc[nH+]cc2Br)C1 ZINC000624773269 367988142 /nfs/dbraw/zinc/98/81/42/367988142.db2.gz GCXSCYCOLJFZSW-VIFPVBQESA-N 2 2 286.173 0.745 20 0 CCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NC[C@@H]1COCC[NH+]1C ZINC000624726818 367967200 /nfs/dbraw/zinc/96/72/00/367967200.db2.gz OLQIXLIGBCXRNO-CHWSQXEVSA-N 2 2 284.404 0.053 20 0 CCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)NC[C@@H]1COCC[NH+]1C ZINC000624726818 367967207 /nfs/dbraw/zinc/96/72/07/367967207.db2.gz OLQIXLIGBCXRNO-CHWSQXEVSA-N 2 2 284.404 0.053 20 0 CCADLP CN(C[C@H]1CCC[NH+]1C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000624726818 367967211 /nfs/dbraw/zinc/96/72/11/367967211.db2.gz OLQIXLIGBCXRNO-CHWSQXEVSA-N 2 2 284.404 0.053 20 0 CCADLP CN(C[C@H]1CCC[NH+]1C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000624726818 367967218 /nfs/dbraw/zinc/96/72/18/367967218.db2.gz OLQIXLIGBCXRNO-CHWSQXEVSA-N 2 2 284.404 0.053 20 0 CCADLP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000656200321 412764008 /nfs/dbraw/zinc/76/40/08/412764008.db2.gz LSGRZPHWMXVWBU-ATGSNQNLSA-N 3 2 267.417 0.683 20 0 CCADLP Cn1cc(CC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)nn1 ZINC000625142236 368078053 /nfs/dbraw/zinc/07/80/53/368078053.db2.gz WJOGSUWZYPHJGK-ZDUSSCGKSA-N 2 2 260.345 0.891 20 0 CCADLP Cn1cc(CC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)nn1 ZINC000625142236 368078059 /nfs/dbraw/zinc/07/80/59/368078059.db2.gz WJOGSUWZYPHJGK-ZDUSSCGKSA-N 2 2 260.345 0.891 20 0 CCADLP CCC[C@](C)(O)C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422977155 284021187 /nfs/dbraw/zinc/02/11/87/284021187.db2.gz JPMQFYKSMSMNAX-IHRRRGAJSA-N 2 2 256.390 0.894 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cccnn3)C2)CC1 ZINC000625520182 368231553 /nfs/dbraw/zinc/23/15/53/368231553.db2.gz ANVNVGALDMEVQJ-LBPRGKRZSA-N 2 2 289.383 0.375 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cccnn3)C2)CC1 ZINC000625520182 368231557 /nfs/dbraw/zinc/23/15/57/368231557.db2.gz ANVNVGALDMEVQJ-LBPRGKRZSA-N 2 2 289.383 0.375 20 0 CCADLP c1ncn(CC[NH+]2CCC([NH+]3CCOCC3)CC2)n1 ZINC000625545034 368238088 /nfs/dbraw/zinc/23/80/88/368238088.db2.gz LTNFXFLPERVJJP-UHFFFAOYSA-N 2 2 265.361 0.075 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCC(N2CCOCC2)CC1 ZINC000625545557 368238981 /nfs/dbraw/zinc/23/89/81/368238981.db2.gz VOMRWIDFBJSHTJ-UHFFFAOYSA-N 2 2 278.400 0.759 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1CCC([NH+]2CCOCC2)CC1 ZINC000625547897 368241220 /nfs/dbraw/zinc/24/12/20/368241220.db2.gz RUVCKJIRTGIHKE-OAHLLOKOSA-N 2 2 297.443 0.504 20 0 CCADLP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000625895331 368360513 /nfs/dbraw/zinc/36/05/13/368360513.db2.gz CRLSXWZKVBTLJS-CYBMUJFWSA-N 2 2 292.383 0.858 20 0 CCADLP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000625895331 368360517 /nfs/dbraw/zinc/36/05/17/368360517.db2.gz CRLSXWZKVBTLJS-CYBMUJFWSA-N 2 2 292.383 0.858 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[NH+](CCCF)CC2)CCO1 ZINC000626070261 368420528 /nfs/dbraw/zinc/42/05/28/368420528.db2.gz GMIBEJUBZBKNGP-CQSZACIVSA-N 2 2 273.396 0.684 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](CCCF)CC2)CCO1 ZINC000626070261 368420534 /nfs/dbraw/zinc/42/05/34/368420534.db2.gz GMIBEJUBZBKNGP-CQSZACIVSA-N 2 2 273.396 0.684 20 0 CCADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626077498 368428295 /nfs/dbraw/zinc/42/82/95/368428295.db2.gz LGDACNBRLMGRJZ-ZDUSSCGKSA-N 2 2 280.372 0.548 20 0 CCADLP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626077498 368428301 /nfs/dbraw/zinc/42/83/01/368428301.db2.gz LGDACNBRLMGRJZ-ZDUSSCGKSA-N 2 2 280.372 0.548 20 0 CCADLP Cc1cc[nH+]c(C)c1NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000626559495 368579072 /nfs/dbraw/zinc/57/90/72/368579072.db2.gz CKUXMBREZGYBTF-LBPRGKRZSA-N 2 2 278.356 0.887 20 0 CCADLP Cc1cc[nH+]c(C)c1NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000626559495 368579075 /nfs/dbraw/zinc/57/90/75/368579075.db2.gz CKUXMBREZGYBTF-LBPRGKRZSA-N 2 2 278.356 0.887 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000566747678 291435991 /nfs/dbraw/zinc/43/59/91/291435991.db2.gz FYVAZZHTVYTPDO-MNOVXSKESA-N 2 2 263.345 0.661 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)NCC[N@@H+]2CCOC[C@@H]2C)C[NH2+]1 ZINC000626969821 368702109 /nfs/dbraw/zinc/70/21/09/368702109.db2.gz HATLCQQNQFSLNZ-FRRDWIJNSA-N 2 2 284.404 0.147 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)NCC[N@H+]2CCOC[C@@H]2C)C[NH2+]1 ZINC000626969821 368702116 /nfs/dbraw/zinc/70/21/16/368702116.db2.gz HATLCQQNQFSLNZ-FRRDWIJNSA-N 2 2 284.404 0.147 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000626889757 368668583 /nfs/dbraw/zinc/66/85/83/368668583.db2.gz ZVFJZASCEKQZGA-UWVGGRQHSA-N 2 2 292.339 0.285 20 0 CCADLP CCN(CC[NH3+])C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000627005319 368730172 /nfs/dbraw/zinc/73/01/72/368730172.db2.gz WURBYQWWBLUYRH-GFCCVEGCSA-N 2 2 277.372 0.651 20 0 CCADLP C[C@H](NC(=O)NC[C@H]1COCC[N@@H+]1C)[C@@H]1CCC[NH2+]C1 ZINC000627070537 368769263 /nfs/dbraw/zinc/76/92/63/368769263.db2.gz VRWUBQWKAAXFQB-XQQFMLRXSA-N 2 2 284.404 0.004 20 0 CCADLP C[C@H](NC(=O)NC[C@H]1COCC[N@H+]1C)[C@@H]1CCC[NH2+]C1 ZINC000627070537 368769264 /nfs/dbraw/zinc/76/92/64/368769264.db2.gz VRWUBQWKAAXFQB-XQQFMLRXSA-N 2 2 284.404 0.004 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000627084823 368783318 /nfs/dbraw/zinc/78/33/18/368783318.db2.gz FIKIIXYMSXEVNL-TZMCWYRMSA-N 2 2 284.404 0.006 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000627084823 368783323 /nfs/dbraw/zinc/78/33/23/368783323.db2.gz FIKIIXYMSXEVNL-TZMCWYRMSA-N 2 2 284.404 0.006 20 0 CCADLP O=C(N[C@@H]1CC[NH2+]C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000627248184 368913174 /nfs/dbraw/zinc/91/31/74/368913174.db2.gz OSJKZNDBEJLZEV-LLVKDONJSA-N 2 2 263.345 0.661 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)N(C)CC[NH+]2CCOCC2)C[NH2+]1 ZINC000627198831 368866933 /nfs/dbraw/zinc/86/69/33/368866933.db2.gz YDCRTXPZZFNVDP-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)CC2 ZINC000627204273 368873236 /nfs/dbraw/zinc/87/32/36/368873236.db2.gz COULXMZLTPJQLI-PWSUYJOCSA-N 2 2 277.372 0.857 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)N[C@H]1CC[C@H](C)[NH2+]C1)CC2 ZINC000627204272 368873280 /nfs/dbraw/zinc/87/32/80/368873280.db2.gz COULXMZLTPJQLI-JQWIXIFHSA-N 2 2 277.372 0.857 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCCOCCC[NH3+])C1 ZINC000627216092 368887439 /nfs/dbraw/zinc/88/74/39/368887439.db2.gz OPUMNYYHAZSSEM-GFCCVEGCSA-N 2 2 295.387 0.284 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000627237755 368900749 /nfs/dbraw/zinc/90/07/49/368900749.db2.gz UDCOKNXBEIEKSJ-GXTWGEPZSA-N 2 2 292.383 0.857 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@H]21 ZINC000627652900 369066204 /nfs/dbraw/zinc/06/62/04/369066204.db2.gz XCGFBVFSIKXLHH-ZZVYKPCYSA-N 2 2 274.368 0.464 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1C[C@H]3CC[N@@H+](C)[C@H]3C1)CC2 ZINC000627632821 369059572 /nfs/dbraw/zinc/05/95/72/369059572.db2.gz XXRQVMPODVBHKS-MJBXVCDLSA-N 2 2 288.395 0.916 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1C[C@H]3CC[N@H+](C)[C@H]3C1)CC2 ZINC000627632821 369059577 /nfs/dbraw/zinc/05/95/77/369059577.db2.gz XXRQVMPODVBHKS-MJBXVCDLSA-N 2 2 288.395 0.916 20 0 CCADLP CC(=O)[C@](C)(O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000330835301 203294388 /nfs/dbraw/zinc/29/43/88/203294388.db2.gz LJAUQWGSLZSPEV-CYBMUJFWSA-N 2 2 251.330 0.860 20 0 CCADLP C[NH2+]CCOCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000629392842 369654132 /nfs/dbraw/zinc/65/41/32/369654132.db2.gz ULHKWTHWNQZFQH-UHFFFAOYSA-N 3 2 278.400 0.876 20 0 CCADLP C[NH2+]CCOCC[N@H+](C)CC(=O)Nc1cc(C)no1 ZINC000629569161 369713508 /nfs/dbraw/zinc/71/35/08/369713508.db2.gz OLADVYXWDGUEFK-UHFFFAOYSA-N 2 2 270.333 0.089 20 0 CCADLP C[NH2+]CCOCC[N@@H+](C)CC(=O)Nc1cc(C)no1 ZINC000629569161 369713513 /nfs/dbraw/zinc/71/35/13/369713513.db2.gz OLADVYXWDGUEFK-UHFFFAOYSA-N 2 2 270.333 0.089 20 0 CCADLP CCO[C@H](C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)C1CC1 ZINC000629518228 369689353 /nfs/dbraw/zinc/68/93/53/369689353.db2.gz JHYVHUCOZKGOLD-LSDHHAIUSA-N 2 2 295.427 0.698 20 0 CCADLP CCO[C@H](C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)C1CC1 ZINC000629518228 369689356 /nfs/dbraw/zinc/68/93/56/369689356.db2.gz JHYVHUCOZKGOLD-LSDHHAIUSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H](CCCC[NH3+])[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000629516092 369689557 /nfs/dbraw/zinc/68/95/57/369689557.db2.gz XEQQOWYZALPRAI-OLZOCXBDSA-N 3 2 270.421 0.433 20 0 CCADLP C[C@H](CCCC[NH3+])[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000629516092 369689560 /nfs/dbraw/zinc/68/95/60/369689560.db2.gz XEQQOWYZALPRAI-OLZOCXBDSA-N 3 2 270.421 0.433 20 0 CCADLP CC[C@H]([NH2+]CC1([NH3+])CCOCC1)c1nccn1C ZINC000629524492 369690467 /nfs/dbraw/zinc/69/04/67/369690467.db2.gz NDRJALBIPMTTEZ-NSHDSACASA-N 2 2 252.362 0.969 20 0 CCADLP Cn1ccnc1[C@@H]([NH2+]CC1([NH3+])CCOCC1)C1CC1 ZINC000629522807 369691110 /nfs/dbraw/zinc/69/11/10/369691110.db2.gz BPHIAOFWOIZJPE-LBPRGKRZSA-N 2 2 264.373 0.969 20 0 CCADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000276474601 193346466 /nfs/dbraw/zinc/34/64/66/193346466.db2.gz QWYAZJDEOJJDMS-TZMCWYRMSA-N 2 2 277.368 0.897 20 0 CCADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000276474601 193346468 /nfs/dbraw/zinc/34/64/68/193346468.db2.gz QWYAZJDEOJJDMS-TZMCWYRMSA-N 2 2 277.368 0.897 20 0 CCADLP CC(C)(C)CNC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000629532371 369693076 /nfs/dbraw/zinc/69/30/76/369693076.db2.gz XAASRAMKDJBDLR-RYUDHWBXSA-N 2 2 253.390 0.833 20 0 CCADLP CC(C)(C)CNC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000629532371 369693079 /nfs/dbraw/zinc/69/30/79/369693079.db2.gz XAASRAMKDJBDLR-RYUDHWBXSA-N 2 2 253.390 0.833 20 0 CCADLP [NH3+][C@]12CCC[C@H]1C[N@H+](CCOC1CCOCC1)C2 ZINC000629545842 369699089 /nfs/dbraw/zinc/69/90/89/369699089.db2.gz ADXLZKWHYNSDIN-JSGCOSHPSA-N 2 2 254.374 0.995 20 0 CCADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCOC1CCOCC1)C2 ZINC000629545842 369699092 /nfs/dbraw/zinc/69/90/92/369699092.db2.gz ADXLZKWHYNSDIN-JSGCOSHPSA-N 2 2 254.374 0.995 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000629550596 369702183 /nfs/dbraw/zinc/70/21/83/369702183.db2.gz NZACCLNFMQCEKA-VXGBXAGGSA-N 2 2 291.351 0.866 20 0 CCADLP C1CC1[C@@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)[C@@H]1C[NH2+]CCO1 ZINC000629549976 369702645 /nfs/dbraw/zinc/70/26/45/369702645.db2.gz UMXUIEQJLCXHSM-CBBWQLFWSA-N 2 2 266.385 0.911 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC000629556141 369704881 /nfs/dbraw/zinc/70/48/81/369704881.db2.gz KUXVLZKIJKGERD-YRGRVCCFSA-N 2 2 281.400 0.496 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000276548130 193377180 /nfs/dbraw/zinc/37/71/80/193377180.db2.gz HEZFCZPDUYAYMS-CYBMUJFWSA-N 2 2 294.399 0.268 20 0 CCADLP O=C1[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C[C@@H]2CCCCN12 ZINC000629580084 369723678 /nfs/dbraw/zinc/72/36/78/369723678.db2.gz MLVVLXHRLQUPNB-BFHYXJOUSA-N 2 2 281.400 0.186 20 0 CCADLP CO[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)[C@@](C)(C[NH3+])C1 ZINC000630374264 370075161 /nfs/dbraw/zinc/07/51/61/370075161.db2.gz HRIGZEYOCHTLHE-GXFFZTMASA-N 2 2 266.345 0.225 20 0 CCADLP c1cc(C[N@@H+]2CCO[C@H](CNC3=[NH+]CCCN3)C2)ccn1 ZINC000630387606 370088910 /nfs/dbraw/zinc/08/89/10/370088910.db2.gz UIIMZJBYCFAKST-CQSZACIVSA-N 2 2 289.383 0.221 20 0 CCADLP c1cc(C[N@H+]2CCO[C@H](CNC3=[NH+]CCCN3)C2)ccn1 ZINC000630387606 370088916 /nfs/dbraw/zinc/08/89/16/370088916.db2.gz UIIMZJBYCFAKST-CQSZACIVSA-N 2 2 289.383 0.221 20 0 CCADLP COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1CCn1cc[nH+]c1C ZINC000275656846 284201048 /nfs/dbraw/zinc/20/10/48/284201048.db2.gz XSGRZNLFXYNGFT-RYUDHWBXSA-N 2 2 267.329 0.190 20 0 CCADLP COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1CCn1cc[nH+]c1C ZINC000275656846 284201051 /nfs/dbraw/zinc/20/10/51/284201051.db2.gz XSGRZNLFXYNGFT-RYUDHWBXSA-N 2 2 267.329 0.190 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000630897542 370309726 /nfs/dbraw/zinc/30/97/26/370309726.db2.gz KBGSPHJMMCHGEZ-UONOGXRCSA-N 2 2 283.416 0.507 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+]2CCOCC2)CC[N@H+]1C ZINC000630897542 370309730 /nfs/dbraw/zinc/30/97/30/370309730.db2.gz KBGSPHJMMCHGEZ-UONOGXRCSA-N 2 2 283.416 0.507 20 0 CCADLP Cc1nc(NC[C@H](C2CCCCC2)[NH+](C)C)nc(N)[nH+]1 ZINC000631057466 370371707 /nfs/dbraw/zinc/37/17/07/370371707.db2.gz BERZUSPEXWOROZ-GFCCVEGCSA-N 2 2 278.404 0.937 20 0 CCADLP CC[NH+](CC)CCO[C@@H]1CCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000631142388 370397560 /nfs/dbraw/zinc/39/75/60/370397560.db2.gz KWJTXIBKWHGIKQ-GFCCVEGCSA-N 2 2 294.403 0.530 20 0 CCADLP CC[NH+](CC)CCO[C@@H]1CCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000631142388 370397566 /nfs/dbraw/zinc/39/75/66/370397566.db2.gz KWJTXIBKWHGIKQ-GFCCVEGCSA-N 2 2 294.403 0.530 20 0 CCADLP Cc1nc(NCC[N@H+]2CCCC(C)(C)C2)nc(N)[nH+]1 ZINC000631249306 370436932 /nfs/dbraw/zinc/43/69/32/370436932.db2.gz CCWQIXCXMIIFDO-UHFFFAOYSA-N 2 2 264.377 0.548 20 0 CCADLP O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000332898936 284237471 /nfs/dbraw/zinc/23/74/71/284237471.db2.gz MQYDAWHEZSTBHA-NWDGAFQWSA-N 2 2 289.383 0.757 20 0 CCADLP O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000332898936 284237473 /nfs/dbraw/zinc/23/74/73/284237473.db2.gz MQYDAWHEZSTBHA-NWDGAFQWSA-N 2 2 289.383 0.757 20 0 CCADLP O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000332898936 284237476 /nfs/dbraw/zinc/23/74/76/284237476.db2.gz MQYDAWHEZSTBHA-NWDGAFQWSA-N 2 2 289.383 0.757 20 0 CCADLP O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000332898936 284237477 /nfs/dbraw/zinc/23/74/77/284237477.db2.gz MQYDAWHEZSTBHA-NWDGAFQWSA-N 2 2 289.383 0.757 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC2([NH+]3CCOCC3)CC2)CC[N@@H+]1C ZINC000632768090 371252080 /nfs/dbraw/zinc/25/20/80/371252080.db2.gz RSOQSSYGOAMHBH-UONOGXRCSA-N 2 2 295.427 0.698 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC2([NH+]3CCOCC3)CC2)CC[N@H+]1C ZINC000632768090 371252084 /nfs/dbraw/zinc/25/20/84/371252084.db2.gz RSOQSSYGOAMHBH-UONOGXRCSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]([NH3+])C1CC[NH+](Cc2ncnn2CCF)CC1 ZINC000567893097 291531767 /nfs/dbraw/zinc/53/17/67/291531767.db2.gz XRZZAVJETZWYDO-SNVBAGLBSA-N 2 2 255.341 0.807 20 0 CCADLP C[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000634142423 371905888 /nfs/dbraw/zinc/90/58/88/371905888.db2.gz DDDXWCQSQPSCOD-WDEREUQCSA-N 2 2 277.372 0.660 20 0 CCADLP C[N@H+]1CCC[C@@H](NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000634142423 371905899 /nfs/dbraw/zinc/90/58/99/371905899.db2.gz DDDXWCQSQPSCOD-WDEREUQCSA-N 2 2 277.372 0.660 20 0 CCADLP C[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000634142423 371905906 /nfs/dbraw/zinc/90/59/06/371905906.db2.gz DDDXWCQSQPSCOD-WDEREUQCSA-N 2 2 277.372 0.660 20 0 CCADLP C[N@H+]1CCC[C@@H](NC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000634142423 371905911 /nfs/dbraw/zinc/90/59/11/371905911.db2.gz DDDXWCQSQPSCOD-WDEREUQCSA-N 2 2 277.372 0.660 20 0 CCADLP C[N@@H+]1CCC[C@H]([NH2+]C[C@H](O)C[C@](C)(O)C2CC2)C1 ZINC000634703690 372149055 /nfs/dbraw/zinc/14/90/55/372149055.db2.gz ZVTCMHRLHBPOIQ-MJBXVCDLSA-N 2 2 256.390 0.582 20 0 CCADLP C[N@H+]1CCC[C@H]([NH2+]C[C@H](O)C[C@](C)(O)C2CC2)C1 ZINC000634703690 372149057 /nfs/dbraw/zinc/14/90/57/372149057.db2.gz ZVTCMHRLHBPOIQ-MJBXVCDLSA-N 2 2 256.390 0.582 20 0 CCADLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000634722199 372169070 /nfs/dbraw/zinc/16/90/70/372169070.db2.gz LGAATHAQEUUTPZ-MELADBBJSA-N 2 2 256.390 0.582 20 0 CCADLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000634722199 372169071 /nfs/dbraw/zinc/16/90/71/372169071.db2.gz LGAATHAQEUUTPZ-MELADBBJSA-N 2 2 256.390 0.582 20 0 CCADLP C[C@H](O)CNc1cc(N[C@@H]2CC[NH2+][C@@H](C)C2)nc[nH+]1 ZINC000634808514 372249688 /nfs/dbraw/zinc/24/96/88/372249688.db2.gz VRDJXLXVVMMKMC-GARJFASQSA-N 2 2 265.361 0.822 20 0 CCADLP C[C@H](O)CNc1cc(N[C@@H]2CC[NH2+][C@@H](C)C2)[nH+]cn1 ZINC000634808514 372249693 /nfs/dbraw/zinc/24/96/93/372249693.db2.gz VRDJXLXVVMMKMC-GARJFASQSA-N 2 2 265.361 0.822 20 0 CCADLP C[C@H](O)[C@H]1CCN(c2cc(N[C@@H]3[C@H]4C[NH2+]C[C@H]43)[nH+]cn2)C1 ZINC000634809984 372253355 /nfs/dbraw/zinc/25/33/55/372253355.db2.gz IIYVINQLIPKFAF-QHUBEEEXSA-N 2 2 289.383 0.313 20 0 CCADLP C[C@H](O)[C@H]1CCN(c2cc(N[C@@H]3[C@H]4C[NH2+]C[C@H]43)nc[nH+]2)C1 ZINC000634809984 372253362 /nfs/dbraw/zinc/25/33/62/372253362.db2.gz IIYVINQLIPKFAF-QHUBEEEXSA-N 2 2 289.383 0.313 20 0 CCADLP Cn1ncc2c1nc(N)[nH+]c2N[C@@H]1CCC[NH2+]CC1 ZINC000634813696 372257905 /nfs/dbraw/zinc/25/79/05/372257905.db2.gz UOIYRSIOLVETGD-MRVPVSSYSA-N 2 2 261.333 0.330 20 0 CCADLP C[NH+](C)[C@@]1(C[NH2+][C@@H]2CCNC(=O)CC2)CCSC1 ZINC000634967377 372318853 /nfs/dbraw/zinc/31/88/53/372318853.db2.gz MIFHTUWAVXKQCZ-WCQYABFASA-N 2 2 271.430 0.682 20 0 CCADLP COCCO[C@H]1C[C@H](CO)C[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634994987 372330646 /nfs/dbraw/zinc/33/06/46/372330646.db2.gz RLAPVEMJIINQEX-LQULJDIASA-N 2 2 284.400 0.084 20 0 CCADLP COCCO[C@H]1C[C@H](CO)C[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634994987 372330652 /nfs/dbraw/zinc/33/06/52/372330652.db2.gz RLAPVEMJIINQEX-LQULJDIASA-N 2 2 284.400 0.084 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635422798 372505345 /nfs/dbraw/zinc/50/53/45/372505345.db2.gz OXQHJAGSOOGQEB-YUSALJHKSA-N 2 2 260.341 0.866 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635422798 372505347 /nfs/dbraw/zinc/50/53/47/372505347.db2.gz OXQHJAGSOOGQEB-YUSALJHKSA-N 2 2 260.341 0.866 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635422798 372505351 /nfs/dbraw/zinc/50/53/51/372505351.db2.gz OXQHJAGSOOGQEB-YUSALJHKSA-N 2 2 260.341 0.866 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635422798 372505353 /nfs/dbraw/zinc/50/53/53/372505353.db2.gz OXQHJAGSOOGQEB-YUSALJHKSA-N 2 2 260.341 0.866 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635456469 372526484 /nfs/dbraw/zinc/52/64/84/372526484.db2.gz QHLHMXXYFPTQFA-GHMZBOCLSA-N 2 2 259.313 0.835 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635456469 372526490 /nfs/dbraw/zinc/52/64/90/372526490.db2.gz QHLHMXXYFPTQFA-GHMZBOCLSA-N 2 2 259.313 0.835 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000567982148 291542785 /nfs/dbraw/zinc/54/27/85/291542785.db2.gz OQFGCAKURQQWCW-SECBINFHSA-N 2 2 258.272 0.387 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2CC[NH+]2C2CCCC2)CCO1 ZINC000635464675 372534355 /nfs/dbraw/zinc/53/43/55/372534355.db2.gz IBYWAUHUOUCFFC-ZFWWWQNUSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CC[NH+]2C2CCCC2)CCO1 ZINC000635464675 372534365 /nfs/dbraw/zinc/53/43/65/372534365.db2.gz IBYWAUHUOUCFFC-ZFWWWQNUSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)CCO1 ZINC000635464675 372534370 /nfs/dbraw/zinc/53/43/70/372534370.db2.gz IBYWAUHUOUCFFC-ZFWWWQNUSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)[C@@H]2CC[N@H+]2C2CCCC2)CCO1 ZINC000635464675 372534378 /nfs/dbraw/zinc/53/43/78/372534378.db2.gz IBYWAUHUOUCFFC-ZFWWWQNUSA-N 2 2 295.427 0.840 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000635548252 372612938 /nfs/dbraw/zinc/61/29/38/372612938.db2.gz OSTPKOUBEIIYPZ-ZDUSSCGKSA-N 2 2 293.415 0.369 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000635548252 372612944 /nfs/dbraw/zinc/61/29/44/372612944.db2.gz OSTPKOUBEIIYPZ-ZDUSSCGKSA-N 2 2 293.415 0.369 20 0 CCADLP CCc1c[nH]c(CC(=O)NCC[N@H+](C)C(C)C)[nH+]1 ZINC000635557731 372626447 /nfs/dbraw/zinc/62/64/47/372626447.db2.gz CVTRCLKTJINXAK-UHFFFAOYSA-N 2 2 252.362 0.971 20 0 CCADLP CCc1c[nH]c(CC(=O)NCC[N@@H+](C)C(C)C)[nH+]1 ZINC000635557731 372626455 /nfs/dbraw/zinc/62/64/55/372626455.db2.gz CVTRCLKTJINXAK-UHFFFAOYSA-N 2 2 252.362 0.971 20 0 CCADLP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)Cn1cc[nH+]c1 ZINC000635592369 372665828 /nfs/dbraw/zinc/66/58/28/372665828.db2.gz KZXORFXFGTZWKX-LBPRGKRZSA-N 2 2 264.373 0.977 20 0 CCADLP C[C@H](C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)[NH+](C)C ZINC000635733725 372832133 /nfs/dbraw/zinc/83/21/33/372832133.db2.gz CNTZGURVGNKKJZ-GHMZBOCLSA-N 2 2 250.346 0.686 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)[nH+]1 ZINC000635819107 372952455 /nfs/dbraw/zinc/95/24/55/372952455.db2.gz VELHCQWZHSDAQT-VXGBXAGGSA-N 2 2 294.399 0.428 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)[nH+]1 ZINC000635819107 372952465 /nfs/dbraw/zinc/95/24/65/372952465.db2.gz VELHCQWZHSDAQT-VXGBXAGGSA-N 2 2 294.399 0.428 20 0 CCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000635811868 372944074 /nfs/dbraw/zinc/94/40/74/372944074.db2.gz MXIHKOZXWOLUFM-CABCVRRESA-N 2 2 296.459 0.613 20 0 CCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000635811868 372944082 /nfs/dbraw/zinc/94/40/82/372944082.db2.gz MXIHKOZXWOLUFM-CABCVRRESA-N 2 2 296.459 0.613 20 0 CCADLP Cn1cc(C(=O)N2CC[NH+](C)CC2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000333355714 205247162 /nfs/dbraw/zinc/24/71/62/205247162.db2.gz BYXGRUAMLALXMM-GFCCVEGCSA-N 2 2 291.399 0.275 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000635823850 372960496 /nfs/dbraw/zinc/96/04/96/372960496.db2.gz WOOJUVCRMPVZKH-ZDUSSCGKSA-N 2 2 294.399 0.532 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000635823850 372960502 /nfs/dbraw/zinc/96/05/02/372960502.db2.gz WOOJUVCRMPVZKH-ZDUSSCGKSA-N 2 2 294.399 0.532 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N[C@H]1C[NH2+]CC[C@H]1C)[NH+]1CCOCC1 ZINC000333419364 205304582 /nfs/dbraw/zinc/30/45/82/205304582.db2.gz SGJVEBCJWYNOFJ-RQJABVFESA-N 2 2 298.431 0.393 20 0 CCADLP C[C@@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CC2)[C@H](C)C[NH2+]1 ZINC000333468180 205347495 /nfs/dbraw/zinc/34/74/95/205347495.db2.gz AECITWQJAFCVOF-CHWSQXEVSA-N 2 2 296.415 0.243 20 0 CCADLP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000423083980 284381586 /nfs/dbraw/zinc/38/15/86/284381586.db2.gz GSDNXRCAHNFCKS-DGAVXFQQSA-N 2 2 282.384 0.685 20 0 CCADLP c1c(CC[NH+]2CCOCC2)nnn1[C@H]1CCC[NH2+]C1 ZINC000656468078 412809136 /nfs/dbraw/zinc/80/91/36/412809136.db2.gz TZZADLLCDZMBFI-ZDUSSCGKSA-N 2 2 265.361 0.077 20 0 CCADLP COCC(C)(C)[NH+]1CCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000636057152 373308245 /nfs/dbraw/zinc/30/82/45/373308245.db2.gz IDQJAYYCCAGBRJ-GFCCVEGCSA-N 2 2 271.405 0.506 20 0 CCADLP C[NH+](C)[C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCOCC2)C1(C)C ZINC000636091023 373349106 /nfs/dbraw/zinc/34/91/06/373349106.db2.gz JWOVXWKLSQREQW-CHWSQXEVSA-N 2 2 297.443 0.942 20 0 CCADLP C[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636645614 373693011 /nfs/dbraw/zinc/69/30/11/373693011.db2.gz PKMVPZGMFGITBC-QWRGUYRKSA-N 2 2 263.345 0.201 20 0 CCADLP C[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636645614 373693017 /nfs/dbraw/zinc/69/30/17/373693017.db2.gz PKMVPZGMFGITBC-QWRGUYRKSA-N 2 2 263.345 0.201 20 0 CCADLP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000636657750 373695559 /nfs/dbraw/zinc/69/55/59/373695559.db2.gz IGTIIXUSYKMXFL-NSHDSACASA-N 2 2 295.387 0.215 20 0 CCADLP C[C@@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CC[NH+](C)CC1 ZINC000636818239 373772046 /nfs/dbraw/zinc/77/20/46/373772046.db2.gz XCCOCZKBAUOXGM-YPMHNXCESA-N 2 2 291.399 0.837 20 0 CCADLP O=C(NCc1ccc2c[nH+]cn2c1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637211900 374013375 /nfs/dbraw/zinc/01/33/75/374013375.db2.gz DFTYSPOYWPQIIE-GFCCVEGCSA-N 2 2 296.334 0.955 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000637263257 374058117 /nfs/dbraw/zinc/05/81/17/374058117.db2.gz SKMHBJHLJQXBHV-NEPJUHHUSA-N 2 2 291.399 0.980 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000637263257 374058120 /nfs/dbraw/zinc/05/81/20/374058120.db2.gz SKMHBJHLJQXBHV-NEPJUHHUSA-N 2 2 291.399 0.980 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)NC(C)(C)CCC[NH+](C)C ZINC000637319803 374104071 /nfs/dbraw/zinc/10/40/71/374104071.db2.gz IMPSXJNBTINCBP-ZDUSSCGKSA-N 2 2 285.432 0.944 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)NC(C)(C)CCC[NH+](C)C ZINC000637319803 374104074 /nfs/dbraw/zinc/10/40/74/374104074.db2.gz IMPSXJNBTINCBP-ZDUSSCGKSA-N 2 2 285.432 0.944 20 0 CCADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)NC[C@H]1COCC[NH+]1C ZINC000637441742 374160758 /nfs/dbraw/zinc/16/07/58/374160758.db2.gz OGJHOESLSMSTOR-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NC[C@H]1COCC[NH+]1C ZINC000637441742 374160767 /nfs/dbraw/zinc/16/07/67/374160767.db2.gz OGJHOESLSMSTOR-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@H]1C[NH+](CC)CCN1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637441742 374160773 /nfs/dbraw/zinc/16/07/73/374160773.db2.gz OGJHOESLSMSTOR-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@H]1C[NH+](CC)CCN1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000637441742 374160778 /nfs/dbraw/zinc/16/07/78/374160778.db2.gz OGJHOESLSMSTOR-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000637446373 374172700 /nfs/dbraw/zinc/17/27/00/374172700.db2.gz RFTBRASHCUJQNF-KGLIPLIRSA-N 2 2 296.415 0.197 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000637446373 374172707 /nfs/dbraw/zinc/17/27/07/374172707.db2.gz RFTBRASHCUJQNF-KGLIPLIRSA-N 2 2 296.415 0.197 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC[C@H]([NH3+])C1)CC2 ZINC000637798662 374324545 /nfs/dbraw/zinc/32/45/45/374324545.db2.gz MVNAWXBUKGXXAI-NEPJUHHUSA-N 2 2 262.357 0.704 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCC[C@H]([NH3+])C1)CC2 ZINC000637798666 374324679 /nfs/dbraw/zinc/32/46/79/374324679.db2.gz MVNAWXBUKGXXAI-RYUDHWBXSA-N 2 2 262.357 0.704 20 0 CCADLP C[NH2+]CCCNC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000637806556 374337586 /nfs/dbraw/zinc/33/75/86/374337586.db2.gz UARGSOUBPIXAMG-UHFFFAOYSA-N 2 2 274.324 0.917 20 0 CCADLP CCc1c[nH]c(CC(=O)NC2CCC([NH3+])CC2)[nH+]1 ZINC000637819138 374354725 /nfs/dbraw/zinc/35/47/25/374354725.db2.gz LNECPFYWHYOCQV-UHFFFAOYSA-N 2 2 250.346 0.901 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000637830545 374372874 /nfs/dbraw/zinc/37/28/74/374372874.db2.gz YHRSWAUSTIMWOS-VIFPVBQESA-N 2 2 250.346 0.846 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC[C@H]([NH3+])C(C)C)CC2 ZINC000637849153 374404332 /nfs/dbraw/zinc/40/43/32/374404332.db2.gz MZVLJYFPJOMDAS-RYUDHWBXSA-N 2 2 264.373 0.853 20 0 CCADLP O=C([C@H]1CSC[NH2+]1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000334143018 206064174 /nfs/dbraw/zinc/06/41/74/206064174.db2.gz BTPVIIHXCGNUMS-LLVKDONJSA-N 2 2 266.370 0.778 20 0 CCADLP O=C([C@H]1CSC[NH2+]1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000334143018 206064179 /nfs/dbraw/zinc/06/41/79/206064179.db2.gz BTPVIIHXCGNUMS-LLVKDONJSA-N 2 2 266.370 0.778 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CN(C)Cc2ccccc2)CC[NH2+]1 ZINC000637839191 374388520 /nfs/dbraw/zinc/38/85/20/374388520.db2.gz ANWZXUNVIHFAHR-HIFRSBDPSA-N 2 2 290.411 0.266 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)CC[NH2+]1 ZINC000637839192 374389090 /nfs/dbraw/zinc/38/90/90/374389090.db2.gz ANWZXUNVIHFAHR-UKRRQHHQSA-N 2 2 290.411 0.266 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@H](C[NH3+])C1CC1)CC2 ZINC000637855614 374414190 /nfs/dbraw/zinc/41/41/90/374414190.db2.gz WMAKIWSMILUMMW-NWDGAFQWSA-N 2 2 262.357 0.607 20 0 CCADLP C[C@H]([NH3+])c1ccc(NC(=O)[C@H](C)N2CC[NH2+]CC2=O)cc1 ZINC000637856198 374414751 /nfs/dbraw/zinc/41/47/51/374414751.db2.gz JEELDQDLQMWBNO-QWRGUYRKSA-N 2 2 290.367 0.465 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@H]2CCCC23CC3)[C@@H](C[NH3+])C1 ZINC000637863305 374423864 /nfs/dbraw/zinc/42/38/64/374423864.db2.gz AGRCSGSOIVPFJW-NWDGAFQWSA-N 2 2 251.374 0.668 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]2CCCC23CC3)[C@@H](C[NH3+])C1 ZINC000637863305 374423867 /nfs/dbraw/zinc/42/38/67/374423867.db2.gz AGRCSGSOIVPFJW-NWDGAFQWSA-N 2 2 251.374 0.668 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000334186416 206161381 /nfs/dbraw/zinc/16/13/81/206161381.db2.gz GJEQUKLMRWEOFO-NEPJUHHUSA-N 2 2 262.357 0.830 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000334186416 206161382 /nfs/dbraw/zinc/16/13/82/206161382.db2.gz GJEQUKLMRWEOFO-NEPJUHHUSA-N 2 2 262.357 0.830 20 0 CCADLP C[C@H]([NH3+])C1CC[NH+](Cc2nnnn2CC(F)(F)F)CC1 ZINC000568512080 291600203 /nfs/dbraw/zinc/60/02/03/291600203.db2.gz CIRGYQREVBLZML-QMMMGPOBSA-N 2 2 292.309 0.795 20 0 CCADLP C[C@@H](CNC(=O)[C@@]1(C)CCC[NH2+]1)Cn1cc[nH+]c1 ZINC000568515165 291600568 /nfs/dbraw/zinc/60/05/68/291600568.db2.gz HKBWUCGZWPNZNY-WCQYABFASA-N 2 2 250.346 0.778 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000334211599 206197589 /nfs/dbraw/zinc/19/75/89/206197589.db2.gz ZAIZPWOYTRBDSW-ZDUSSCGKSA-N 2 2 277.368 0.876 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000334211599 206197592 /nfs/dbraw/zinc/19/75/92/206197592.db2.gz ZAIZPWOYTRBDSW-ZDUSSCGKSA-N 2 2 277.368 0.876 20 0 CCADLP O=C(CN1CC[NH2+]CC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000638075643 374630761 /nfs/dbraw/zinc/63/07/61/374630761.db2.gz GPKKTTQOTNVBLW-LBPRGKRZSA-N 2 2 277.372 0.021 20 0 CCADLP C[C@H](CNC(=O)[C@@H]([NH3+])CN(C)Cc1ccccc1)[NH+](C)C ZINC000638079158 374638148 /nfs/dbraw/zinc/63/81/48/374638148.db2.gz BIZPUXMZRCVXGX-HIFRSBDPSA-N 2 2 292.427 0.512 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000638060097 374605838 /nfs/dbraw/zinc/60/58/38/374605838.db2.gz KLKUYEQMBGCBPO-STQMWFEESA-N 2 2 271.405 0.457 20 0 CCADLP CC[NH2+][C@H](C)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000638060093 374606060 /nfs/dbraw/zinc/60/60/60/374606060.db2.gz KLKUYEQMBGCBPO-CHWSQXEVSA-N 2 2 271.405 0.457 20 0 CCADLP CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000638069689 374617355 /nfs/dbraw/zinc/61/73/55/374617355.db2.gz RROXUVJJJSJYRU-DOMZBBRYSA-N 2 2 292.383 0.531 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638070565 374620046 /nfs/dbraw/zinc/62/00/46/374620046.db2.gz ZNHNWUKSJIZBKR-CQSZACIVSA-N 2 2 278.356 0.142 20 0 CCADLP COC[C@@]1(C(=O)N[C@H](C)Cn2cc[nH+]c2)CCCC[NH2+]1 ZINC000638072141 374624021 /nfs/dbraw/zinc/62/40/21/374624021.db2.gz CTZOKQVAYQGOAE-TZMCWYRMSA-N 2 2 280.372 0.547 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000638072938 374626124 /nfs/dbraw/zinc/62/61/24/374626124.db2.gz VXPAXXFVSQAWJE-NSHDSACASA-N 2 2 264.373 0.876 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000638101215 374666512 /nfs/dbraw/zinc/66/65/12/374666512.db2.gz OQIYSUUFJVTFCL-RYUDHWBXSA-N 2 2 295.383 0.886 20 0 CCADLP C[C@H]1C[C@H](N(C)Cc2c[nH+]c(N)nc2N)CC[N@@H+]1C ZINC000638117462 374685529 /nfs/dbraw/zinc/68/55/29/374685529.db2.gz REQDQUYCTCPPQU-GXSJLCMTSA-N 2 2 264.377 0.216 20 0 CCADLP C[C@H]1C[C@H](N(C)Cc2c[nH+]c(N)nc2N)CC[N@H+]1C ZINC000638117462 374685538 /nfs/dbraw/zinc/68/55/38/374685538.db2.gz REQDQUYCTCPPQU-GXSJLCMTSA-N 2 2 264.377 0.216 20 0 CCADLP C[C@H]1C[C@H]([NH+](C)Cc2cnc(N)nc2N)CC[N@@H+]1C ZINC000638117462 374685546 /nfs/dbraw/zinc/68/55/46/374685546.db2.gz REQDQUYCTCPPQU-GXSJLCMTSA-N 2 2 264.377 0.216 20 0 CCADLP C[C@H]1C[C@H]([NH+](C)Cc2cnc(N)nc2N)CC[N@H+]1C ZINC000638117462 374685552 /nfs/dbraw/zinc/68/55/52/374685552.db2.gz REQDQUYCTCPPQU-GXSJLCMTSA-N 2 2 264.377 0.216 20 0 CCADLP C[C@H]1C[C@H]([N@H+](C)Cc2cnc(N)nc2N)CC[NH+]1C ZINC000638117462 374685559 /nfs/dbraw/zinc/68/55/59/374685559.db2.gz REQDQUYCTCPPQU-GXSJLCMTSA-N 2 2 264.377 0.216 20 0 CCADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cnc(N)nc2N)CC[NH+]1C ZINC000638117462 374685569 /nfs/dbraw/zinc/68/55/69/374685569.db2.gz REQDQUYCTCPPQU-GXSJLCMTSA-N 2 2 264.377 0.216 20 0 CCADLP Cc1cn2ccc(C(=O)N3CCO[C@@H](C[NH3+])C3)cc2[nH+]1 ZINC000638175326 374759706 /nfs/dbraw/zinc/75/97/06/374759706.db2.gz YTKKDGPCINNZOP-LBPRGKRZSA-N 2 2 274.324 0.442 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000638214780 374803319 /nfs/dbraw/zinc/80/33/19/374803319.db2.gz DNUWDMHURBVFNR-CQSZACIVSA-N 2 2 285.351 0.760 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000638216565 374805437 /nfs/dbraw/zinc/80/54/37/374805437.db2.gz YVJWBAWUVMFMSF-AWEZNQCLSA-N 2 2 285.351 0.829 20 0 CCADLP COC[C@]1(C(=O)NCc2c[nH+]c[nH]2)CCCC[NH2+]1 ZINC000638280728 374887832 /nfs/dbraw/zinc/88/78/32/374887832.db2.gz DMYOOWFHDDPREQ-LBPRGKRZSA-N 2 2 252.318 0.185 20 0 CCADLP COC[C@]1(C(=O)NCc2c[nH]c[nH+]2)CCCC[NH2+]1 ZINC000638280728 374887837 /nfs/dbraw/zinc/88/78/37/374887837.db2.gz DMYOOWFHDDPREQ-LBPRGKRZSA-N 2 2 252.318 0.185 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000638255278 374851047 /nfs/dbraw/zinc/85/10/47/374851047.db2.gz YYZXYNQHFLPABI-WCQYABFASA-N 2 2 257.353 0.631 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000638255278 374851053 /nfs/dbraw/zinc/85/10/53/374851053.db2.gz YYZXYNQHFLPABI-WCQYABFASA-N 2 2 257.353 0.631 20 0 CCADLP CC(C)C[C@H](C(=O)NC[C@@H]1C[NH2+]CCO1)n1cc[nH+]c1 ZINC000638337367 374937994 /nfs/dbraw/zinc/93/79/94/374937994.db2.gz FFDLNCTYHDFSLK-QWHCGFSZSA-N 2 2 280.372 0.575 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000638342280 374942489 /nfs/dbraw/zinc/94/24/89/374942489.db2.gz PKVXEBOFHCTKEL-ONGXEEELSA-N 2 2 250.346 0.704 20 0 CCADLP CC(C)[C@H](C[NH2+]Cc1ncnn1C)N1CC[NH+](C)CC1 ZINC000638352915 374951705 /nfs/dbraw/zinc/95/17/05/374951705.db2.gz OUUZOJRMCSJYSS-ZDUSSCGKSA-N 2 2 280.420 0.177 20 0 CCADLP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CCn1cc[nH+]c1 ZINC000638298017 374905283 /nfs/dbraw/zinc/90/52/83/374905283.db2.gz MLHLHYGHQDYNSP-VXGBXAGGSA-N 2 2 250.346 0.920 20 0 CCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]cc(CC)[nH+]2)C[C@H]1C[NH3+] ZINC000638389389 374981953 /nfs/dbraw/zinc/98/19/53/374981953.db2.gz GEAZHYPUBWILQS-ZYHUDNBSSA-N 2 2 280.372 0.337 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@H]([NH3+])C[C@@H]2C)[nH+]1 ZINC000638398683 374994304 /nfs/dbraw/zinc/99/43/04/374994304.db2.gz WHKMPFZPMXCSAB-UWVGGRQHSA-N 2 2 250.346 0.853 20 0 CCADLP C[C@@H]1CCC[C@@](CNCc2c[nH+]c(N)nc2N)([NH+](C)C)C1 ZINC000638411710 375008217 /nfs/dbraw/zinc/00/82/17/375008217.db2.gz PNLTTYYBMSSZQC-IAQYHMDHSA-N 2 2 292.431 0.902 20 0 CCADLP C[C@H](NC(=O)[C@@]1(C[NH3+])CCCOC1)c1[nH+]ccn1C ZINC000638428897 375025616 /nfs/dbraw/zinc/02/56/16/375025616.db2.gz DGGAHPMWHOGONY-GXFFZTMASA-N 2 2 266.345 0.353 20 0 CCADLP CC[C@@H](C)[N@H+](C)CCNCc1c[nH+]c(N)nc1N ZINC000638503359 375093989 /nfs/dbraw/zinc/09/39/89/375093989.db2.gz HSKSUOSDWJRSPQ-SECBINFHSA-N 2 2 252.366 0.122 20 0 CCADLP CC[C@@H](C)[N@@H+](C)CCNCc1c[nH+]c(N)nc1N ZINC000638503359 375093993 /nfs/dbraw/zinc/09/39/93/375093993.db2.gz HSKSUOSDWJRSPQ-SECBINFHSA-N 2 2 252.366 0.122 20 0 CCADLP CCN(CC[NH3+])C(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000638516041 375108385 /nfs/dbraw/zinc/10/83/85/375108385.db2.gz KVMXONXMOFQPMG-LLVKDONJSA-N 2 2 257.284 0.772 20 0 CCADLP C[NH2+]CCOCCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000638573753 375150129 /nfs/dbraw/zinc/15/01/29/375150129.db2.gz JVORTEDVBZMJHH-ZDUSSCGKSA-N 2 2 282.388 0.823 20 0 CCADLP Cc1cc(NCCNC(=O)CC2([NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000638583565 375165074 /nfs/dbraw/zinc/16/50/74/375165074.db2.gz CROWKHUYZRBPMC-UHFFFAOYSA-N 2 2 291.399 0.740 20 0 CCADLP C[NH2+]CCOCCN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000638593893 375175453 /nfs/dbraw/zinc/17/54/53/375175453.db2.gz YKAZTZNJIDFZRL-UHFFFAOYSA-N 2 2 294.399 0.456 20 0 CCADLP CO[C@H](C[NH2+]C[C@@H]1C[N@H+](C)CCN1C)CC(C)C ZINC000638597190 375177872 /nfs/dbraw/zinc/17/78/72/375177872.db2.gz VKJRERFKTPMETP-KGLIPLIRSA-N 2 2 257.422 0.883 20 0 CCADLP CO[C@H](C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C)CC(C)C ZINC000638597190 375177875 /nfs/dbraw/zinc/17/78/75/375177875.db2.gz VKJRERFKTPMETP-KGLIPLIRSA-N 2 2 257.422 0.883 20 0 CCADLP CN(C)C(=O)C[NH+]1CCC([NH2+]CCC[C@@H]2CCO2)CC1 ZINC000638522927 375116178 /nfs/dbraw/zinc/11/61/78/375116178.db2.gz VOSXQBQWICPHNT-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1COCC[N@@H+]1C)[C@H]([NH3+])c1ccccc1 ZINC000638611650 375192831 /nfs/dbraw/zinc/19/28/31/375192831.db2.gz OZRQXFONWNZQHV-CFVMTHIKSA-N 2 2 291.395 0.769 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1COCC[N@H+]1C)[C@H]([NH3+])c1ccccc1 ZINC000638611650 375192837 /nfs/dbraw/zinc/19/28/37/375192837.db2.gz OZRQXFONWNZQHV-CFVMTHIKSA-N 2 2 291.395 0.769 20 0 CCADLP C[C@H](CC(=O)NC[C@H]1COCC[N@@H+]1C)C1CC[NH2+]CC1 ZINC000638612283 375194568 /nfs/dbraw/zinc/19/45/68/375194568.db2.gz UARVDJDIJHRTBB-OCCSQVGLSA-N 2 2 283.416 0.459 20 0 CCADLP C[C@H](CC(=O)NC[C@H]1COCC[N@H+]1C)C1CC[NH2+]CC1 ZINC000638612283 375194574 /nfs/dbraw/zinc/19/45/74/375194574.db2.gz UARVDJDIJHRTBB-OCCSQVGLSA-N 2 2 283.416 0.459 20 0 CCADLP [NH3+][C@@H](C(=O)NC[C@H]1COCC[NH2+]1)c1c(F)cccc1F ZINC000638616099 375205809 /nfs/dbraw/zinc/20/58/09/375205809.db2.gz IKCSWUKADOCWAT-QPUJVOFHSA-N 2 2 285.294 0.069 20 0 CCADLP CC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000638731728 375325201 /nfs/dbraw/zinc/32/52/01/375325201.db2.gz QQFDNECMCFWXPT-UONOGXRCSA-N 2 2 292.383 0.136 20 0 CCADLP CC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000638731728 375325208 /nfs/dbraw/zinc/32/52/08/375325208.db2.gz QQFDNECMCFWXPT-UONOGXRCSA-N 2 2 292.383 0.136 20 0 CCADLP CN(CCOCC[NH3+])C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000638671991 375273880 /nfs/dbraw/zinc/27/38/80/375273880.db2.gz AOHVSGILOWXAPW-UHFFFAOYSA-N 2 2 293.358 0.397 20 0 CCADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000638932138 375468320 /nfs/dbraw/zinc/46/83/20/375468320.db2.gz ULBTWVHPMBQLMK-QWRGUYRKSA-N 2 2 262.357 0.710 20 0 CCADLP CN(C)c1cncc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000638846822 375404732 /nfs/dbraw/zinc/40/47/32/375404732.db2.gz DWYAVXOTLHWAMN-LBPRGKRZSA-N 2 2 265.361 0.365 20 0 CCADLP C[C@@]1(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)CCC[NH2+]1 ZINC000638984813 375497912 /nfs/dbraw/zinc/49/79/12/375497912.db2.gz SHDNQWHYXDUKOH-HNNXBMFYSA-N 3 2 289.383 0.572 20 0 CCADLP CC[NH+](CC)CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638984238 375498166 /nfs/dbraw/zinc/49/81/66/375498166.db2.gz LBDWVYWWPPWPTP-UHFFFAOYSA-N 3 2 291.399 0.772 20 0 CCADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cnns1 ZINC000638988044 375499581 /nfs/dbraw/zinc/49/95/81/375499581.db2.gz RDDVUHUFCQKARC-UHFFFAOYSA-N 2 2 290.352 0.595 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1cccc2c1CCOC2 ZINC000638989303 375501837 /nfs/dbraw/zinc/50/18/37/375501837.db2.gz HVVIILWDSJTDKY-HNNXBMFYSA-N 2 2 291.395 0.655 20 0 CCADLP CO[C@@]1(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)CCOC1 ZINC000639071902 375559372 /nfs/dbraw/zinc/55/93/72/375559372.db2.gz QUDKQVVYNGLCFC-DGCLKSJQSA-N 2 2 251.330 0.593 20 0 CCADLP COCCN(CC[NH+](C)C)CC(C)(C)[NH+]1CCOCC1 ZINC000639172077 375616607 /nfs/dbraw/zinc/61/66/07/375616607.db2.gz IDCSNRAVAYPSPP-UHFFFAOYSA-N 2 2 287.448 0.607 20 0 CCADLP C[C@@H]1C[C@H](NC[C@@H](O)C[N@H+](C)C2CC2)c2[nH+]ccn21 ZINC000574631945 335035101 /nfs/dbraw/zinc/03/51/01/335035101.db2.gz RIYONVCGEZXZGE-RTXFEEFZSA-N 2 2 264.373 0.934 20 0 CCADLP C[C@@H]1C[C@H](NC[C@@H](O)C[N@@H+](C)C2CC2)c2[nH+]ccn21 ZINC000574631945 335035102 /nfs/dbraw/zinc/03/51/02/335035102.db2.gz RIYONVCGEZXZGE-RTXFEEFZSA-N 2 2 264.373 0.934 20 0 CCADLP CO[C@]1(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)CCOC1 ZINC000639216927 375637651 /nfs/dbraw/zinc/63/76/51/375637651.db2.gz AEUDOMGBNWSBMA-KBPBESRZSA-N 2 2 272.389 0.228 20 0 CCADLP CO[C@]1(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)CCOC1 ZINC000639216927 375637660 /nfs/dbraw/zinc/63/76/60/375637660.db2.gz AEUDOMGBNWSBMA-KBPBESRZSA-N 2 2 272.389 0.228 20 0 CCADLP CC(C)(C[NH2+][C@@H]1CCC[N@H+](CCCO)C1)N1CCOCC1 ZINC000639216932 375638060 /nfs/dbraw/zinc/63/80/60/375638060.db2.gz AGCGLDUGJBEILD-OAHLLOKOSA-N 2 2 299.459 0.534 20 0 CCADLP CC(C)(C[NH2+][C@@H]1CCC[N@@H+](CCCO)C1)N1CCOCC1 ZINC000639216932 375638065 /nfs/dbraw/zinc/63/80/65/375638065.db2.gz AGCGLDUGJBEILD-OAHLLOKOSA-N 2 2 299.459 0.534 20 0 CCADLP C[C@@H](Cc1cnccn1)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000639219141 375642264 /nfs/dbraw/zinc/64/22/64/375642264.db2.gz PZIXOFJFDJIYET-DZGCQCFKSA-N 2 2 278.400 0.844 20 0 CCADLP C[C@@H](Cc1cnccn1)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000639219141 375642270 /nfs/dbraw/zinc/64/22/70/375642270.db2.gz PZIXOFJFDJIYET-DZGCQCFKSA-N 2 2 278.400 0.844 20 0 CCADLP COC[C@@H]([NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1)C1CC1 ZINC000639371679 375767006 /nfs/dbraw/zinc/76/70/06/375767006.db2.gz UOPUHCUGDCEWPS-TUVASFSCSA-N 2 2 268.401 0.989 20 0 CCADLP COC[C@@H]([NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1)C1CC1 ZINC000639371679 375767009 /nfs/dbraw/zinc/76/70/09/375767009.db2.gz UOPUHCUGDCEWPS-TUVASFSCSA-N 2 2 268.401 0.989 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](Cc2cc[nH]c(=O)c2)CC1 ZINC000639541145 375828676 /nfs/dbraw/zinc/82/86/76/375828676.db2.gz JTNFZDPRMYGNKH-UHFFFAOYSA-N 2 2 273.340 0.843 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC000656702707 412843894 /nfs/dbraw/zinc/84/38/94/412843894.db2.gz RMSGACDAGKQTCP-QWHCGFSZSA-N 2 2 266.389 0.706 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC000656702707 412843897 /nfs/dbraw/zinc/84/38/97/412843897.db2.gz RMSGACDAGKQTCP-QWHCGFSZSA-N 2 2 266.389 0.706 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2CCCC[C@@H]21 ZINC000656701055 412843981 /nfs/dbraw/zinc/84/39/81/412843981.db2.gz BFXUGMRSFCDEMN-MJBXVCDLSA-N 2 2 256.390 0.800 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2CCCC[C@@H]21 ZINC000656701055 412843984 /nfs/dbraw/zinc/84/39/84/412843984.db2.gz BFXUGMRSFCDEMN-MJBXVCDLSA-N 2 2 256.390 0.800 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000656701055 412843988 /nfs/dbraw/zinc/84/39/88/412843988.db2.gz BFXUGMRSFCDEMN-MJBXVCDLSA-N 2 2 256.390 0.800 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000656701055 412843991 /nfs/dbraw/zinc/84/39/91/412843991.db2.gz BFXUGMRSFCDEMN-MJBXVCDLSA-N 2 2 256.390 0.800 20 0 CCADLP C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CCc1c[nH+]cn1C ZINC000639640315 375880680 /nfs/dbraw/zinc/88/06/80/375880680.db2.gz CCRPQLLIICENFH-UKRRQHHQSA-N 2 2 278.400 0.758 20 0 CCADLP C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1CCc1c[nH+]cn1C ZINC000639640315 375880684 /nfs/dbraw/zinc/88/06/84/375880684.db2.gz CCRPQLLIICENFH-UKRRQHHQSA-N 2 2 278.400 0.758 20 0 CCADLP Cc1cc(C)c(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c(C)[nH+]1 ZINC000639670243 375898922 /nfs/dbraw/zinc/89/89/22/375898922.db2.gz DIBNORHCYPOAFD-GXTWGEPZSA-N 2 2 250.342 0.792 20 0 CCADLP Cc1cc(C)c(C[N@H+]2C[C@@H](O)[C@H](CO)C2)c(C)[nH+]1 ZINC000639670243 375898927 /nfs/dbraw/zinc/89/89/27/375898927.db2.gz DIBNORHCYPOAFD-GXTWGEPZSA-N 2 2 250.342 0.792 20 0 CCADLP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639763185 375990236 /nfs/dbraw/zinc/99/02/36/375990236.db2.gz WBEAOLFDDIDAKK-ZFWWWQNUSA-N 2 2 285.432 0.630 20 0 CCADLP CC(C)N(C)C(=O)[C@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639763185 375990243 /nfs/dbraw/zinc/99/02/43/375990243.db2.gz WBEAOLFDDIDAKK-ZFWWWQNUSA-N 2 2 285.432 0.630 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000639858416 376086931 /nfs/dbraw/zinc/08/69/31/376086931.db2.gz TWEVDFLNCIAGOK-AWEZNQCLSA-N 2 2 290.371 0.574 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000639858416 376086942 /nfs/dbraw/zinc/08/69/42/376086942.db2.gz TWEVDFLNCIAGOK-AWEZNQCLSA-N 2 2 290.371 0.574 20 0 CCADLP CO[C@@H](C[N@H+](C)CC(=O)N1CC[NH+](C)CC1)C1CCCC1 ZINC000640061918 376222158 /nfs/dbraw/zinc/22/21/58/376222158.db2.gz NONCZJVWHUAOII-HNNXBMFYSA-N 2 2 297.443 0.897 20 0 CCADLP CO[C@@H](C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1)C1CCCC1 ZINC000640061918 376222160 /nfs/dbraw/zinc/22/21/60/376222160.db2.gz NONCZJVWHUAOII-HNNXBMFYSA-N 2 2 297.443 0.897 20 0 CCADLP COCC[C@@H]([NH3+])Cc1cn(Cc2c[nH+]ccc2C)nn1 ZINC000641070705 376739301 /nfs/dbraw/zinc/73/93/01/376739301.db2.gz KJAWDIAAPONIGX-CYBMUJFWSA-N 2 2 275.356 0.936 20 0 CCADLP Cn1c[nH+]cc1CCn1cc(C[NH+]2CCSCC2)nn1 ZINC000641171463 376840973 /nfs/dbraw/zinc/84/09/73/376840973.db2.gz AFYUUHRSJQVKDW-UHFFFAOYSA-N 2 2 292.412 0.803 20 0 CCADLP CN(C)c1ccc(Cn2cc(CC[C@H](O)C[NH3+])nn2)c[nH+]1 ZINC000641176816 376847622 /nfs/dbraw/zinc/84/76/22/376847622.db2.gz AGSMAQPVAUHFTF-ZDUSSCGKSA-N 2 2 290.371 0.040 20 0 CCADLP CN(C)c1ccc(Cn2cc(CCC[NH3+])nn2)c[nH+]1 ZINC000641177560 376848360 /nfs/dbraw/zinc/84/83/60/376848360.db2.gz KGKBMEJQQJVOOK-UHFFFAOYSA-N 2 2 260.345 0.679 20 0 CCADLP O=S(=O)(CCn1cc[nH+]c1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000641278268 376961171 /nfs/dbraw/zinc/96/11/71/376961171.db2.gz FATNFDLYCLSAJR-QWHCGFSZSA-N 2 2 298.412 0.429 20 0 CCADLP C[NH+](C)CC1(NS(=O)(=O)CCn2cc[nH+]c2)CCC1 ZINC000641479892 377162246 /nfs/dbraw/zinc/16/22/46/377162246.db2.gz WCILZMWRVJKBRR-UHFFFAOYSA-N 2 2 286.401 0.287 20 0 CCADLP Cc1nc(N[C@@H]2CCC[C@H]2[NH+](C)C)nc(N(C)C)[nH+]1 ZINC000641673387 377378295 /nfs/dbraw/zinc/37/82/95/377378295.db2.gz MLVLVBRHLLYATG-GHMZBOCLSA-N 2 2 264.377 0.563 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000641773625 377455859 /nfs/dbraw/zinc/45/58/59/377455859.db2.gz YLUMYPNFLYPBBG-OAHLLOKOSA-N 2 2 293.411 0.968 20 0 CCADLP COc1cc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])on1 ZINC000641798152 377465753 /nfs/dbraw/zinc/46/57/53/377465753.db2.gz IAHRPWZIUFPTMP-LLVKDONJSA-N 2 2 296.371 0.503 20 0 CCADLP COc1cc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])on1 ZINC000641798152 377465762 /nfs/dbraw/zinc/46/57/62/377465762.db2.gz IAHRPWZIUFPTMP-LLVKDONJSA-N 2 2 296.371 0.503 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)NCc2cccnc2)C1 ZINC000430669717 249022254 /nfs/dbraw/zinc/02/22/54/249022254.db2.gz UIYYMIDJWVOWTE-CQSZACIVSA-N 2 2 276.384 0.629 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)NCc2cccnc2)C1 ZINC000430669717 249022256 /nfs/dbraw/zinc/02/22/56/249022256.db2.gz UIYYMIDJWVOWTE-CQSZACIVSA-N 2 2 276.384 0.629 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccn(C)n2)CC1 ZINC000459769849 249061108 /nfs/dbraw/zinc/06/11/08/249061108.db2.gz AMZKLUQQNYJGHX-QWHCGFSZSA-N 2 2 293.415 0.623 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CC2CCOCC2)C[C@@H](C)O1 ZINC000514669191 249097433 /nfs/dbraw/zinc/09/74/33/249097433.db2.gz VTIYGCBISYWROL-UMVBOHGHSA-N 2 2 286.416 0.473 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CC23CC[NH2+]CC3)CCO1 ZINC000514863976 249108858 /nfs/dbraw/zinc/10/88/58/249108858.db2.gz YWFYATARNFLNAR-CHWSQXEVSA-N 2 2 281.400 0.213 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CC23CC[NH2+]CC3)CCO1 ZINC000514863976 249108860 /nfs/dbraw/zinc/10/88/60/249108860.db2.gz YWFYATARNFLNAR-CHWSQXEVSA-N 2 2 281.400 0.213 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CCC[NH2+]C2)CCO1 ZINC000516263026 249157715 /nfs/dbraw/zinc/15/77/15/249157715.db2.gz OHYJITYEYSVYMQ-CHWSQXEVSA-N 2 2 284.404 0.148 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCC[NH2+]C2)CCO1 ZINC000516263026 249157717 /nfs/dbraw/zinc/15/77/17/249157717.db2.gz OHYJITYEYSVYMQ-CHWSQXEVSA-N 2 2 284.404 0.148 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)CCCn1cc[nH+]c1C ZINC000516580450 249171757 /nfs/dbraw/zinc/17/17/57/249171757.db2.gz HLYSPXHMWCHAPD-AWEZNQCLSA-N 3 2 268.405 0.826 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCCn1cc[nH+]c1C ZINC000516580450 249171758 /nfs/dbraw/zinc/17/17/58/249171758.db2.gz HLYSPXHMWCHAPD-AWEZNQCLSA-N 3 2 268.405 0.826 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000516580450 249171760 /nfs/dbraw/zinc/17/17/60/249171760.db2.gz HLYSPXHMWCHAPD-AWEZNQCLSA-N 3 2 268.405 0.826 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000516580450 249171761 /nfs/dbraw/zinc/17/17/61/249171761.db2.gz HLYSPXHMWCHAPD-AWEZNQCLSA-N 3 2 268.405 0.826 20 0 CCADLP Cc1ccc(F)c(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000516785836 249181491 /nfs/dbraw/zinc/18/14/91/249181491.db2.gz XQUUGZRTONWASQ-OCCSQVGLSA-N 2 2 277.343 0.878 20 0 CCADLP Cc1ccc(F)c(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000516785836 249181493 /nfs/dbraw/zinc/18/14/93/249181493.db2.gz XQUUGZRTONWASQ-OCCSQVGLSA-N 2 2 277.343 0.878 20 0 CCADLP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000517231047 249209010 /nfs/dbraw/zinc/20/90/10/249209010.db2.gz OKWDJBXHFNSORV-OCCSQVGLSA-N 2 2 278.400 0.842 20 0 CCADLP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000517231047 249209014 /nfs/dbraw/zinc/20/90/14/249209014.db2.gz OKWDJBXHFNSORV-OCCSQVGLSA-N 2 2 278.400 0.842 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000517738609 249229005 /nfs/dbraw/zinc/22/90/05/249229005.db2.gz WUFMZHFCGMVQJW-AXFHLTTASA-N 2 2 265.361 0.623 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC000517757520 249231164 /nfs/dbraw/zinc/23/11/64/249231164.db2.gz SDQMPSQDFJXGBB-RDBSUJKOSA-N 3 2 255.406 0.693 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC000517757520 249231165 /nfs/dbraw/zinc/23/11/65/249231165.db2.gz SDQMPSQDFJXGBB-RDBSUJKOSA-N 3 2 255.406 0.693 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2ccc3c(c2)NCC3)[C@H](C[NH3+])C1 ZINC000518498079 249252345 /nfs/dbraw/zinc/25/23/45/249252345.db2.gz IEEOKOCYADRRSB-CQSZACIVSA-N 2 2 288.395 0.298 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[C@H]3CC[NH2+][C@@H]3C2)nc[nH+]1 ZINC000643031882 377696396 /nfs/dbraw/zinc/69/63/96/377696396.db2.gz ZCHIQRJKKDOSEB-QJPTWQEYSA-N 2 2 277.372 0.458 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000278690248 194105448 /nfs/dbraw/zinc/10/54/48/194105448.db2.gz QVEHPRQYLWYVGK-CQSZACIVSA-N 2 2 294.399 0.734 20 0 CCADLP C[NH+](C)C1(CNC(=O)Cn2cc[nH+]c2)CCOCC1 ZINC000574735153 335043370 /nfs/dbraw/zinc/04/33/70/335043370.db2.gz NBUJHYVXHDUTBC-UHFFFAOYSA-N 2 2 266.345 0.110 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[NH2+]C[C@H]1C ZINC000334596622 206774788 /nfs/dbraw/zinc/77/47/88/206774788.db2.gz FSCQDBJHTHLWIR-GHMZBOCLSA-N 2 2 251.334 0.275 20 0 CCADLP O=C1NCCC[C@H]1[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000334768749 207042365 /nfs/dbraw/zinc/04/23/65/207042365.db2.gz AMBDHGJMGBPPJN-QWHCGFSZSA-N 2 2 251.374 0.683 20 0 CCADLP O=C1NCCC[C@H]1[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000334768749 207042369 /nfs/dbraw/zinc/04/23/69/207042369.db2.gz AMBDHGJMGBPPJN-QWHCGFSZSA-N 2 2 251.374 0.683 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CCn1cc[nH+]c1 ZINC000334964230 207373692 /nfs/dbraw/zinc/37/36/92/207373692.db2.gz CQSQAIYTRCXVCW-NWDGAFQWSA-N 2 2 250.346 0.824 20 0 CCADLP OC1CC[NH+](CCC[NH2+]Cc2cnc3n2CCC3)CC1 ZINC000657327887 412960572 /nfs/dbraw/zinc/96/05/72/412960572.db2.gz ZDPPOEZWJFTADT-UHFFFAOYSA-N 2 2 278.400 0.766 20 0 CCADLP OC1CC[NH+](CCCNCc2c[nH+]c3n2CCC3)CC1 ZINC000657327887 412960575 /nfs/dbraw/zinc/96/05/75/412960575.db2.gz ZDPPOEZWJFTADT-UHFFFAOYSA-N 2 2 278.400 0.766 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)CCn1cc[nH+]c1 ZINC000334964232 207371556 /nfs/dbraw/zinc/37/15/56/207371556.db2.gz CQSQAIYTRCXVCW-VXGBXAGGSA-N 2 2 250.346 0.824 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)CCn1cc[nH+]c1 ZINC000334964232 207371559 /nfs/dbraw/zinc/37/15/59/207371559.db2.gz CQSQAIYTRCXVCW-VXGBXAGGSA-N 2 2 250.346 0.824 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CCn1cc[nH+]c1 ZINC000334964230 207373687 /nfs/dbraw/zinc/37/36/87/207373687.db2.gz CQSQAIYTRCXVCW-NWDGAFQWSA-N 2 2 250.346 0.824 20 0 CCADLP C[C@@H]1CN(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)CC[NH2+]1 ZINC000334966174 207377420 /nfs/dbraw/zinc/37/74/20/207377420.db2.gz GGJRTPMFRWHZEV-NXEZZACHSA-N 2 2 276.331 0.235 20 0 CCADLP CN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@H]1CC[NH2+]C1 ZINC000571558526 291822635 /nfs/dbraw/zinc/82/26/35/291822635.db2.gz ZIEJOEGRSABUCR-LBPRGKRZSA-N 2 2 271.324 0.701 20 0 CCADLP COCC[NH+]1CCC([NH2+][C@H](C)c2ncnn2C)CC1 ZINC000353339740 285013487 /nfs/dbraw/zinc/01/34/87/285013487.db2.gz ABMCIZWTMOXLCH-LLVKDONJSA-N 2 2 267.377 0.577 20 0 CCADLP C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)CC1=O ZINC000571622159 291826162 /nfs/dbraw/zinc/82/61/62/291826162.db2.gz LHYNTRGNJVHQHO-NTZNESFSSA-N 2 2 291.399 0.585 20 0 CCADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657352784 412969977 /nfs/dbraw/zinc/96/99/77/412969977.db2.gz BNHZQSBZFNNEHG-LBPRGKRZSA-N 2 2 295.435 0.154 20 0 CCADLP CC[NH+](CC)[C@@H]1CCN(C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000247700245 285058812 /nfs/dbraw/zinc/05/88/12/285058812.db2.gz XRTQCMRDSFSLSY-CABCVRRESA-N 2 2 285.432 0.096 20 0 CCADLP CC(C)(C[NH2+]Cc1c[nH+]c2n1CCC2)NS(C)(=O)=O ZINC000657359442 412971435 /nfs/dbraw/zinc/97/14/35/412971435.db2.gz URDRQTLIHDVCKS-UHFFFAOYSA-N 2 2 286.401 0.247 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCS(=O)(=O)NC(C)(C)C ZINC000571908659 291845751 /nfs/dbraw/zinc/84/57/51/291845751.db2.gz PCGGSBHOLIWUAR-WDEREUQCSA-N 2 2 277.434 0.292 20 0 CCADLP [NH3+]C1(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)CC1 ZINC000335313348 208167915 /nfs/dbraw/zinc/16/79/15/208167915.db2.gz KRADXTFSMKEVDP-UHFFFAOYSA-N 2 2 277.343 0.961 20 0 CCADLP O=C1NC2(CCCC2)C(=O)N1CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359307706 296362474 /nfs/dbraw/zinc/36/24/74/296362474.db2.gz OBIFNAMNMSDRRZ-TXEJJXNPSA-N 2 2 292.383 0.002 20 0 CCADLP O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359307706 296362476 /nfs/dbraw/zinc/36/24/76/296362476.db2.gz OBIFNAMNMSDRRZ-TXEJJXNPSA-N 2 2 292.383 0.002 20 0 CCADLP COC[C@](C)(CCO)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657388894 412978622 /nfs/dbraw/zinc/97/86/22/412978622.db2.gz HOPIAYVSYQJOAX-ZDUSSCGKSA-N 2 2 253.346 0.706 20 0 CCADLP O=C1NCCN1CC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000367992584 296374502 /nfs/dbraw/zinc/37/45/02/296374502.db2.gz DLPKZYBUYLLBHE-AWEZNQCLSA-N 2 2 296.415 0.056 20 0 CCADLP O=C1NCCN1CC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000367992584 296374505 /nfs/dbraw/zinc/37/45/05/296374505.db2.gz DLPKZYBUYLLBHE-AWEZNQCLSA-N 2 2 296.415 0.056 20 0 CCADLP CCCCNc1cc(NC[C@@](C)(O)C[NH+](C)C)nc(N)[nH+]1 ZINC000281134324 195118639 /nfs/dbraw/zinc/11/86/39/195118639.db2.gz JBRJQAIBIZSBLO-CQSZACIVSA-N 2 2 296.419 0.995 20 0 CCADLP CCCCNc1cc(NC[C@@](C)(O)C[NH+](C)C)[nH+]c(N)n1 ZINC000281134324 195118641 /nfs/dbraw/zinc/11/86/41/195118641.db2.gz JBRJQAIBIZSBLO-CQSZACIVSA-N 2 2 296.419 0.995 20 0 CCADLP CC(C)([NH3+])c1nocc1C(=O)NCCCn1cc[nH+]c1 ZINC000572179442 291862801 /nfs/dbraw/zinc/86/28/01/291862801.db2.gz VPYZHOHXOPOSGN-UHFFFAOYSA-N 2 2 277.328 0.885 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000418221904 533077765 /nfs/dbraw/zinc/07/77/65/533077765.db2.gz WIWBBTFVOXYLQU-MNOVXSKESA-N 2 2 278.356 0.969 20 0 CCADLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000289299203 197288500 /nfs/dbraw/zinc/28/85/00/197288500.db2.gz IAEHSFITZDMVKF-NEPJUHHUSA-N 2 2 290.367 0.489 20 0 CCADLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC000289299203 197288502 /nfs/dbraw/zinc/28/85/02/197288502.db2.gz IAEHSFITZDMVKF-NEPJUHHUSA-N 2 2 290.367 0.489 20 0 CCADLP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)cc1F ZINC000258915030 285153899 /nfs/dbraw/zinc/15/38/99/285153899.db2.gz MOUXFWUXSOZKJK-LBPRGKRZSA-N 2 2 267.348 0.828 20 0 CCADLP CO[C@H](C)[C@@H](C)[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000361487626 533104214 /nfs/dbraw/zinc/10/42/14/533104214.db2.gz VOYWCTVWIXMTPT-HUUCEWRRSA-N 2 2 287.448 0.390 20 0 CCADLP C[C@@H]1C[NH2+]CCN1c1cc(N2CCOCC2)[nH+]cn1 ZINC000258618013 285152294 /nfs/dbraw/zinc/15/22/94/285152294.db2.gz CSDALQRVHBBBME-LLVKDONJSA-N 2 2 263.345 0.111 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2nc(C)no2)C1 ZINC000574867947 335053216 /nfs/dbraw/zinc/05/32/16/335053216.db2.gz IWHNCDBLSXYUDW-QWHCGFSZSA-N 2 2 282.388 0.870 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2nc(C)no2)C1 ZINC000574867947 335053217 /nfs/dbraw/zinc/05/32/17/335053217.db2.gz IWHNCDBLSXYUDW-QWHCGFSZSA-N 2 2 282.388 0.870 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000574867947 335053218 /nfs/dbraw/zinc/05/32/18/335053218.db2.gz IWHNCDBLSXYUDW-QWHCGFSZSA-N 2 2 282.388 0.870 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000574867947 335053219 /nfs/dbraw/zinc/05/32/19/335053219.db2.gz IWHNCDBLSXYUDW-QWHCGFSZSA-N 2 2 282.388 0.870 20 0 CCADLP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000394817009 285218835 /nfs/dbraw/zinc/21/88/35/285218835.db2.gz AUDUPVSCGGPZLL-CYBMUJFWSA-N 2 2 288.395 0.866 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](O)CC(C)(C)C1 ZINC000395366432 285225498 /nfs/dbraw/zinc/22/54/98/285225498.db2.gz NKZVEJVMTYIVRS-KBPBESRZSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](O)CC(C)(C)C1 ZINC000395366432 285225503 /nfs/dbraw/zinc/22/55/03/285225503.db2.gz NKZVEJVMTYIVRS-KBPBESRZSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000395366432 285225506 /nfs/dbraw/zinc/22/55/06/285225506.db2.gz NKZVEJVMTYIVRS-KBPBESRZSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000395366432 285225510 /nfs/dbraw/zinc/22/55/10/285225510.db2.gz NKZVEJVMTYIVRS-KBPBESRZSA-N 2 2 288.432 0.408 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)no1 ZINC000397242226 285235012 /nfs/dbraw/zinc/23/50/12/285235012.db2.gz MLOFHZYCEMLHLW-FOGDFJRCSA-N 2 2 280.372 0.649 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)no1 ZINC000397242226 285235013 /nfs/dbraw/zinc/23/50/13/285235013.db2.gz MLOFHZYCEMLHLW-FOGDFJRCSA-N 2 2 280.372 0.649 20 0 CCADLP Cc1cc(N2CC[C@@H]([NH2+][C@@H]3CCCC[C@H]3[NH3+])C2=O)n(C)n1 ZINC000424282750 291939703 /nfs/dbraw/zinc/93/97/03/291939703.db2.gz AFGXVGXMZFPGAZ-JHJVBQTASA-N 2 2 291.399 0.693 20 0 CCADLP [NH3+][C@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000019510781 388793710 /nfs/dbraw/zinc/79/37/10/388793710.db2.gz HUQGIBFZVGIGJV-CQSZACIVSA-N 2 2 277.368 0.005 20 0 CCADLP C[NH+]1CCC(NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000186979220 388863532 /nfs/dbraw/zinc/86/35/32/388863532.db2.gz GFWHRKIPELZUII-HNNXBMFYSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC(NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000186979220 388863534 /nfs/dbraw/zinc/86/35/34/388863534.db2.gz GFWHRKIPELZUII-HNNXBMFYSA-N 2 2 295.427 0.698 20 0 CCADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000289293712 388868473 /nfs/dbraw/zinc/86/84/73/388868473.db2.gz HLIFKXIKXXVUIC-VXGBXAGGSA-N 2 2 292.383 0.865 20 0 CCADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000289293712 388868475 /nfs/dbraw/zinc/86/84/75/388868475.db2.gz HLIFKXIKXXVUIC-VXGBXAGGSA-N 2 2 292.383 0.865 20 0 CCADLP C[C@H]1CCCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)[C@@H]1C[NH3+] ZINC000188186075 388917180 /nfs/dbraw/zinc/91/71/80/388917180.db2.gz NGSXGNQXIBZCAC-JOYOIKCWSA-N 2 2 277.372 0.255 20 0 CCADLP C[C@H](CNc1nc2c(cnn2C)c(N)[nH+]1)C[NH+](C)C ZINC000291812687 388938412 /nfs/dbraw/zinc/93/84/12/388938412.db2.gz KFSWQMXSONMRGT-MRVPVSSYSA-N 2 2 263.349 0.555 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000189198581 388950931 /nfs/dbraw/zinc/95/09/31/388950931.db2.gz QTOMRGQORJLVBZ-AJNGGQMLSA-N 2 2 297.443 0.773 20 0 CCADLP C[C@H](c1nnnn1C)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000189775245 388973034 /nfs/dbraw/zinc/97/30/34/388973034.db2.gz XCWMZGUKBSTKIJ-GFCCVEGCSA-N 2 2 295.435 0.229 20 0 CCADLP C[C@H](c1nnnn1C)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000189775245 388973040 /nfs/dbraw/zinc/97/30/40/388973040.db2.gz XCWMZGUKBSTKIJ-GFCCVEGCSA-N 2 2 295.435 0.229 20 0 CCADLP C[C@H]1CN(Cc2[nH+]ccn2C)CC[N@@H+]1CC(C)(C)O ZINC000189880337 388975286 /nfs/dbraw/zinc/97/52/86/388975286.db2.gz ITRXTUOJIKGEJA-LBPRGKRZSA-N 2 2 266.389 0.697 20 0 CCADLP C[C@H]1CN(Cc2[nH+]ccn2C)CC[N@H+]1CC(C)(C)O ZINC000189880337 388975288 /nfs/dbraw/zinc/97/52/88/388975288.db2.gz ITRXTUOJIKGEJA-LBPRGKRZSA-N 2 2 266.389 0.697 20 0 CCADLP Cc1cc(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cc[nH+]1 ZINC000073609944 388977709 /nfs/dbraw/zinc/97/77/09/388977709.db2.gz RNBFJIQGQGEUJH-LBPRGKRZSA-N 2 2 290.367 0.739 20 0 CCADLP C[C@@H]1CN(Cc2c[nH+]cn2C)CC[N@@H+]1CC(C)(C)O ZINC000189956299 388978905 /nfs/dbraw/zinc/97/89/05/388978905.db2.gz ULZHZLWHZGEJBY-GFCCVEGCSA-N 2 2 266.389 0.697 20 0 CCADLP C[C@@H]1CN(Cc2c[nH+]cn2C)CC[N@H+]1CC(C)(C)O ZINC000189956299 388978909 /nfs/dbraw/zinc/97/89/09/388978909.db2.gz ULZHZLWHZGEJBY-GFCCVEGCSA-N 2 2 266.389 0.697 20 0 CCADLP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000295198233 388994390 /nfs/dbraw/zinc/99/43/90/388994390.db2.gz OTLXYPZAYGYIFT-GXTWGEPZSA-N 2 2 277.368 0.442 20 0 CCADLP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000295198233 388994396 /nfs/dbraw/zinc/99/43/96/388994396.db2.gz OTLXYPZAYGYIFT-GXTWGEPZSA-N 2 2 277.368 0.442 20 0 CCADLP COCC[N@@H+]1CCN(CC[NH+]2CCOC[C@@H]2C)C[C@H]1C ZINC000191484169 389012008 /nfs/dbraw/zinc/01/20/08/389012008.db2.gz OXYUEKUVYFHFNW-CABCVRRESA-N 2 2 285.432 0.360 20 0 CCADLP COCC[N@H+]1CCN(CC[NH+]2CCOC[C@@H]2C)C[C@H]1C ZINC000191484169 389012010 /nfs/dbraw/zinc/01/20/10/389012010.db2.gz OXYUEKUVYFHFNW-CABCVRRESA-N 2 2 285.432 0.360 20 0 CCADLP COCC[NH+]1CCN(CC[N@@H+]2CCOC[C@@H]2C)C[C@H]1C ZINC000191484169 389012011 /nfs/dbraw/zinc/01/20/11/389012011.db2.gz OXYUEKUVYFHFNW-CABCVRRESA-N 2 2 285.432 0.360 20 0 CCADLP COCC[NH+]1CCN(CC[N@H+]2CCOC[C@@H]2C)C[C@H]1C ZINC000191484169 389012013 /nfs/dbraw/zinc/01/20/13/389012013.db2.gz OXYUEKUVYFHFNW-CABCVRRESA-N 2 2 285.432 0.360 20 0 CCADLP C[C@H](O)CNc1cc(N(C)CC[N@H+](C)C2CC2)nc[nH+]1 ZINC000298495914 389025358 /nfs/dbraw/zinc/02/53/58/389025358.db2.gz AOGPEMAAKCZYRD-NSHDSACASA-N 2 2 279.388 0.800 20 0 CCADLP C[C@H](O)CNc1cc(N(C)CC[N@@H+](C)C2CC2)nc[nH+]1 ZINC000298495914 389025361 /nfs/dbraw/zinc/02/53/61/389025361.db2.gz AOGPEMAAKCZYRD-NSHDSACASA-N 2 2 279.388 0.800 20 0 CCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338186759 389087081 /nfs/dbraw/zinc/08/70/81/389087081.db2.gz JYGMEWONOCXWII-CYBMUJFWSA-N 2 2 285.432 0.944 20 0 CCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338186759 389087082 /nfs/dbraw/zinc/08/70/82/389087082.db2.gz JYGMEWONOCXWII-CYBMUJFWSA-N 2 2 285.432 0.944 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000305759334 389088114 /nfs/dbraw/zinc/08/81/14/389088114.db2.gz CTDMLRXSZHAFGE-STQMWFEESA-N 2 2 292.445 0.102 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CC[NH+](CCOC)CC1 ZINC000355594088 389099105 /nfs/dbraw/zinc/09/91/05/389099105.db2.gz FRISNRLTHDGYTB-UHFFFAOYSA-N 2 2 257.378 0.119 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[NH+](CCOC)CC1 ZINC000355594088 389099107 /nfs/dbraw/zinc/09/91/07/389099107.db2.gz FRISNRLTHDGYTB-UHFFFAOYSA-N 2 2 257.378 0.119 20 0 CCADLP CC[C@@H]1CO[C@@H](C)C[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000311077067 389101534 /nfs/dbraw/zinc/10/15/34/389101534.db2.gz MVULSQFMUOYLKT-OUCADQQQSA-N 2 2 256.390 0.941 20 0 CCADLP CC[C@@H]1CO[C@@H](C)C[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000311077067 389101537 /nfs/dbraw/zinc/10/15/37/389101537.db2.gz MVULSQFMUOYLKT-OUCADQQQSA-N 2 2 256.390 0.941 20 0 CCADLP CC[C@@H]1CO[C@@H](C)C[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000311077067 389101538 /nfs/dbraw/zinc/10/15/38/389101538.db2.gz MVULSQFMUOYLKT-OUCADQQQSA-N 2 2 256.390 0.941 20 0 CCADLP CC[C@@H]1CO[C@@H](C)C[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000311077067 389101540 /nfs/dbraw/zinc/10/15/40/389101540.db2.gz MVULSQFMUOYLKT-OUCADQQQSA-N 2 2 256.390 0.941 20 0 CCADLP C[N@@H+]1CCC[C@H]1CNC(=O)NCCCn1cc[nH+]c1 ZINC000194798319 389105136 /nfs/dbraw/zinc/10/51/36/389105136.db2.gz CDRHNNZRIRLMPB-LBPRGKRZSA-N 2 2 265.361 0.667 20 0 CCADLP C[N@H+]1CCC[C@H]1CNC(=O)NCCCn1cc[nH+]c1 ZINC000194798319 389105140 /nfs/dbraw/zinc/10/51/40/389105140.db2.gz CDRHNNZRIRLMPB-LBPRGKRZSA-N 2 2 265.361 0.667 20 0 CCADLP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313395574 389114028 /nfs/dbraw/zinc/11/40/28/389114028.db2.gz PLOZETGWSMSJHR-DGCLKSJQSA-N 2 2 271.405 0.729 20 0 CCADLP CCC(CC)NC(=O)[C@@H](C)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313395574 389114033 /nfs/dbraw/zinc/11/40/33/389114033.db2.gz PLOZETGWSMSJHR-DGCLKSJQSA-N 2 2 271.405 0.729 20 0 CCADLP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)[NH+](C)C ZINC000114858040 389131748 /nfs/dbraw/zinc/13/17/48/389131748.db2.gz MBLLMBIXUFAYJD-KGLIPLIRSA-N 2 2 283.416 0.552 20 0 CCADLP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)[NH+](C)C ZINC000114858040 389131751 /nfs/dbraw/zinc/13/17/51/389131751.db2.gz MBLLMBIXUFAYJD-KGLIPLIRSA-N 2 2 283.416 0.552 20 0 CCADLP Cn1ncc2c1nc[nH+]c2N[C@@H]1CCn2cc[nH+]c2C1 ZINC000328825233 389139721 /nfs/dbraw/zinc/13/97/21/389139721.db2.gz SHZIWFLJTRKGAD-SECBINFHSA-N 2 2 269.312 0.987 20 0 CCADLP C[C@H](C[NH3+])CNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000237582833 389191726 /nfs/dbraw/zinc/19/17/26/389191726.db2.gz TWDCZDOLIXQZDL-CYBMUJFWSA-N 2 2 291.395 0.843 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCC[NH+]1CCC[C@H]1C(N)=O ZINC000341902233 389194057 /nfs/dbraw/zinc/19/40/57/389194057.db2.gz SGUCBJBIHIBKLH-TUVASFSCSA-N 3 2 296.459 0.645 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCC[NH+]1CCC[C@H]1C(N)=O ZINC000341902233 389194059 /nfs/dbraw/zinc/19/40/59/389194059.db2.gz SGUCBJBIHIBKLH-TUVASFSCSA-N 3 2 296.459 0.645 20 0 CCADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000341902233 389194062 /nfs/dbraw/zinc/19/40/62/389194062.db2.gz SGUCBJBIHIBKLH-TUVASFSCSA-N 3 2 296.459 0.645 20 0 CCADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000341902233 389194065 /nfs/dbraw/zinc/19/40/65/389194065.db2.gz SGUCBJBIHIBKLH-TUVASFSCSA-N 3 2 296.459 0.645 20 0 CCADLP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000342255809 389202925 /nfs/dbraw/zinc/20/29/25/389202925.db2.gz UWRYFAGSHPQSHV-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000342255809 389202929 /nfs/dbraw/zinc/20/29/29/389202929.db2.gz UWRYFAGSHPQSHV-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@]2(CNC(=O)C2)C1)C1CC1 ZINC000329813211 389203421 /nfs/dbraw/zinc/20/34/21/389203421.db2.gz DHVXNZHNXQWYLN-TZMCWYRMSA-N 2 2 267.373 0.494 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@]2(CNC(=O)C2)C1)C1CC1 ZINC000329813211 389203424 /nfs/dbraw/zinc/20/34/24/389203424.db2.gz DHVXNZHNXQWYLN-TZMCWYRMSA-N 2 2 267.373 0.494 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1)C1CC1 ZINC000329813211 389203425 /nfs/dbraw/zinc/20/34/25/389203425.db2.gz DHVXNZHNXQWYLN-TZMCWYRMSA-N 2 2 267.373 0.494 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@]2(CNC(=O)C2)C1)C1CC1 ZINC000329813211 389203427 /nfs/dbraw/zinc/20/34/27/389203427.db2.gz DHVXNZHNXQWYLN-TZMCWYRMSA-N 2 2 267.373 0.494 20 0 CCADLP Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229087338 389155600 /nfs/dbraw/zinc/15/56/00/389155600.db2.gz NLKUZDZECPTZTB-MFKMUULPSA-N 2 2 293.415 0.892 20 0 CCADLP Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229087338 389155604 /nfs/dbraw/zinc/15/56/04/389155604.db2.gz NLKUZDZECPTZTB-MFKMUULPSA-N 2 2 293.415 0.892 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000340739786 389162677 /nfs/dbraw/zinc/16/26/77/389162677.db2.gz HHLWFQIGOQQXMR-QWHCGFSZSA-N 2 2 283.416 0.411 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000340739786 389162681 /nfs/dbraw/zinc/16/26/81/389162681.db2.gz HHLWFQIGOQQXMR-QWHCGFSZSA-N 2 2 283.416 0.411 20 0 CCADLP CC[NH+](CC)CCC[C@@H](C)NC(=O)CN1CC[NH2+]CC1=O ZINC000236854623 389175271 /nfs/dbraw/zinc/17/52/71/389175271.db2.gz XVIGFZPVJZBZCG-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](CO)Cc1ccccc1 ZINC000133994613 389241640 /nfs/dbraw/zinc/24/16/40/389241640.db2.gz LEHVCJMZQGCFQJ-CWRNSKLLSA-N 2 2 278.396 0.947 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCCN2CCCC2=O)C1 ZINC000343096063 389258288 /nfs/dbraw/zinc/25/82/88/389258288.db2.gz KPBDGUTVXGBIBI-QWHCGFSZSA-N 2 2 253.390 0.929 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCCN2CCCC2=O)C1 ZINC000343096063 389258291 /nfs/dbraw/zinc/25/82/91/389258291.db2.gz KPBDGUTVXGBIBI-QWHCGFSZSA-N 2 2 253.390 0.929 20 0 CCADLP C[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(C)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000329901636 389209230 /nfs/dbraw/zinc/20/92/30/389209230.db2.gz OSVKLASPHGTHFW-UTUOFQBUSA-N 2 2 276.340 0.523 20 0 CCADLP C[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(C)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000329901636 389209235 /nfs/dbraw/zinc/20/92/35/389209235.db2.gz OSVKLASPHGTHFW-UTUOFQBUSA-N 2 2 276.340 0.523 20 0 CCADLP CCN(CCC[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C)S(C)(=O)=O ZINC000343382698 389265624 /nfs/dbraw/zinc/26/56/24/389265624.db2.gz GZQGYAWKQZLDSE-QWHCGFSZSA-N 2 2 291.461 0.588 20 0 CCADLP CCN(CCC[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C)S(C)(=O)=O ZINC000343382698 389265626 /nfs/dbraw/zinc/26/56/26/389265626.db2.gz GZQGYAWKQZLDSE-QWHCGFSZSA-N 2 2 291.461 0.588 20 0 CCADLP C[N@H+](CC[C@H]1CCCO1)CC(=O)N1CC[NH+](C)CC1 ZINC000342594549 389227088 /nfs/dbraw/zinc/22/70/88/389227088.db2.gz QHVJZXGJLSGEJI-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP C[N@@H+](CC[C@H]1CCCO1)CC(=O)N1CC[NH+](C)CC1 ZINC000342594549 389227091 /nfs/dbraw/zinc/22/70/91/389227091.db2.gz QHVJZXGJLSGEJI-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000331701229 389311046 /nfs/dbraw/zinc/31/10/46/389311046.db2.gz VWQDVILVDLUGQN-AWEZNQCLSA-N 2 2 282.388 0.250 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000331701229 389311050 /nfs/dbraw/zinc/31/10/50/389311050.db2.gz VWQDVILVDLUGQN-AWEZNQCLSA-N 2 2 282.388 0.250 20 0 CCADLP CCNC(=O)NC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000331701229 389311053 /nfs/dbraw/zinc/31/10/53/389311053.db2.gz VWQDVILVDLUGQN-AWEZNQCLSA-N 2 2 282.388 0.250 20 0 CCADLP CCNC(=O)NC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000331701229 389311056 /nfs/dbraw/zinc/31/10/56/389311056.db2.gz VWQDVILVDLUGQN-AWEZNQCLSA-N 2 2 282.388 0.250 20 0 CCADLP C[C@@H]([NH3+])C(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000157279958 389330928 /nfs/dbraw/zinc/33/09/28/389330928.db2.gz WZYHRAGROKNCON-SNVBAGLBSA-N 2 2 268.386 0.525 20 0 CCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000346690404 389335613 /nfs/dbraw/zinc/33/56/13/389335613.db2.gz TWSAQLUQGGMMNJ-QWHCGFSZSA-N 2 2 269.389 0.116 20 0 CCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000346690404 389335618 /nfs/dbraw/zinc/33/56/18/389335618.db2.gz TWSAQLUQGGMMNJ-QWHCGFSZSA-N 2 2 269.389 0.116 20 0 CCADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000346690404 389335622 /nfs/dbraw/zinc/33/56/22/389335622.db2.gz TWSAQLUQGGMMNJ-QWHCGFSZSA-N 2 2 269.389 0.116 20 0 CCADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000346690404 389335624 /nfs/dbraw/zinc/33/56/24/389335624.db2.gz TWSAQLUQGGMMNJ-QWHCGFSZSA-N 2 2 269.389 0.116 20 0 CCADLP CS(=O)(=O)[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261549605 389271233 /nfs/dbraw/zinc/27/12/33/389271233.db2.gz KRRMMJONQARUNU-NWDGAFQWSA-N 2 2 260.403 0.495 20 0 CCADLP CS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261549605 389271236 /nfs/dbraw/zinc/27/12/36/389271236.db2.gz KRRMMJONQARUNU-NWDGAFQWSA-N 2 2 260.403 0.495 20 0 CCADLP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000261652284 389273723 /nfs/dbraw/zinc/27/37/23/389273723.db2.gz BCRCWFRQSOBDAY-DOTOQJQBSA-N 3 2 294.487 0.944 20 0 CCADLP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000261652284 389273725 /nfs/dbraw/zinc/27/37/25/389273725.db2.gz BCRCWFRQSOBDAY-DOTOQJQBSA-N 3 2 294.487 0.944 20 0 CCADLP CO[C@@H]1C[C@H](CN(C)Cc2[nH+]cc(C)n2C)[N@H+](C)C1 ZINC000344479351 389281017 /nfs/dbraw/zinc/28/10/17/389281017.db2.gz MIPLKJPQLNOBDX-CHWSQXEVSA-N 2 2 266.389 0.879 20 0 CCADLP CO[C@@H]1C[C@H](CN(C)Cc2[nH+]cc(C)n2C)[N@@H+](C)C1 ZINC000344479351 389281019 /nfs/dbraw/zinc/28/10/19/389281019.db2.gz MIPLKJPQLNOBDX-CHWSQXEVSA-N 2 2 266.389 0.879 20 0 CCADLP C[C@H](O)C[NH+]1CCN(Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000348199745 389370322 /nfs/dbraw/zinc/37/03/22/389370322.db2.gz RHFREERRGKHZRZ-LBPRGKRZSA-N 2 2 298.456 0.703 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000348278604 389372855 /nfs/dbraw/zinc/37/28/55/389372855.db2.gz WMLZEKCBDZLKMC-OLZOCXBDSA-N 2 2 267.373 0.014 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000348278604 389372858 /nfs/dbraw/zinc/37/28/58/389372858.db2.gz WMLZEKCBDZLKMC-OLZOCXBDSA-N 2 2 267.373 0.014 20 0 CCADLP CCOCC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370829521 389417129 /nfs/dbraw/zinc/41/71/29/389417129.db2.gz HCMZAQUCXZLMBU-AWEZNQCLSA-N 2 2 283.416 0.650 20 0 CCADLP CCOCC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370829521 389417133 /nfs/dbraw/zinc/41/71/33/389417133.db2.gz HCMZAQUCXZLMBU-AWEZNQCLSA-N 2 2 283.416 0.650 20 0 CCADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000333004038 389401524 /nfs/dbraw/zinc/40/15/24/389401524.db2.gz OZRVKGMKJDJDRF-STQMWFEESA-N 2 2 289.383 0.688 20 0 CCADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000333004038 389401527 /nfs/dbraw/zinc/40/15/27/389401527.db2.gz OZRVKGMKJDJDRF-STQMWFEESA-N 2 2 289.383 0.688 20 0 CCADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000333529083 389418547 /nfs/dbraw/zinc/41/85/47/389418547.db2.gz HRQUPVADDFETJI-JQWIXIFHSA-N 2 2 273.340 0.965 20 0 CCADLP C[C@@H](CCn1cccn1)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000158838150 389353037 /nfs/dbraw/zinc/35/30/37/389353037.db2.gz MITCNLAPDWVWKG-KBPBESRZSA-N 2 2 265.405 0.497 20 0 CCADLP C[C@@H](CCn1cccn1)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000158838150 389353041 /nfs/dbraw/zinc/35/30/41/389353041.db2.gz MITCNLAPDWVWKG-KBPBESRZSA-N 2 2 265.405 0.497 20 0 CCADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H](C)Cn1cccn1 ZINC000347481628 389354427 /nfs/dbraw/zinc/35/44/27/389354427.db2.gz JWLCABAXTMZQBV-ZIAGYGMSSA-N 2 2 266.389 0.972 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000332663114 389356302 /nfs/dbraw/zinc/35/63/02/389356302.db2.gz DOLSRRMOMJXXKF-RDBSUJKOSA-N 2 2 298.431 0.474 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000332663114 389356306 /nfs/dbraw/zinc/35/63/06/389356306.db2.gz DOLSRRMOMJXXKF-RDBSUJKOSA-N 2 2 298.431 0.474 20 0 CCADLP CCc1nc2n(n1)C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)CC2 ZINC000332664792 389356612 /nfs/dbraw/zinc/35/66/12/389356612.db2.gz YASJHIKYUAPQKY-TUAOUCFPSA-N 2 2 263.389 0.743 20 0 CCADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC000348002830 389361645 /nfs/dbraw/zinc/36/16/45/389361645.db2.gz KOMRDNVUBJCCCU-ZIAGYGMSSA-N 2 2 293.411 0.546 20 0 CCADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC000348002830 389361648 /nfs/dbraw/zinc/36/16/48/389361648.db2.gz KOMRDNVUBJCCCU-ZIAGYGMSSA-N 2 2 293.411 0.546 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000422860703 389494206 /nfs/dbraw/zinc/49/42/06/389494206.db2.gz MRQMNVIBBUOLRJ-HZSPNIEDSA-N 2 2 283.416 0.602 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCC[N@H+]1CCC[C@@H](C)C1 ZINC000422860703 389494208 /nfs/dbraw/zinc/49/42/08/389494208.db2.gz MRQMNVIBBUOLRJ-HZSPNIEDSA-N 2 2 283.416 0.602 20 0 CCADLP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422861853 389494363 /nfs/dbraw/zinc/49/43/63/389494363.db2.gz NARFQPDFFFPVRA-RRFJBIMHSA-N 3 2 268.449 0.600 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(c2cc(NC3CC3)[nH+]cn2)[C@@H](C)C1 ZINC000413253435 389484877 /nfs/dbraw/zinc/48/48/77/389484877.db2.gz UXPQZWFOCSERTF-RYUDHWBXSA-N 2 2 291.399 0.942 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(c2cc(NC3CC3)[nH+]cn2)[C@@H](C)C1 ZINC000413253435 389484883 /nfs/dbraw/zinc/48/48/83/389484883.db2.gz UXPQZWFOCSERTF-RYUDHWBXSA-N 2 2 291.399 0.942 20 0 CCADLP CC(C)[NH+]1CCN(CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000172385122 389487523 /nfs/dbraw/zinc/48/75/23/389487523.db2.gz MSOUUSDBIPOLFV-CQSZACIVSA-N 2 2 255.406 0.733 20 0 CCADLP CC(C)[NH+]1CCN(CC[N@H+]2CCOC[C@H]2C)CC1 ZINC000172385122 389487527 /nfs/dbraw/zinc/48/75/27/389487527.db2.gz MSOUUSDBIPOLFV-CQSZACIVSA-N 2 2 255.406 0.733 20 0 CCADLP CC[N@@H+]1CCN(c2cc(NC[C@@H](C)O)[nH+]cn2)[C@H](C)C1 ZINC000413281601 389488827 /nfs/dbraw/zinc/48/88/27/389488827.db2.gz NMOIGTRBTQUJKR-VXGBXAGGSA-N 2 2 279.388 0.800 20 0 CCADLP CC[N@H+]1CCN(c2cc(NC[C@@H](C)O)[nH+]cn2)[C@H](C)C1 ZINC000413281601 389488831 /nfs/dbraw/zinc/48/88/31/389488831.db2.gz NMOIGTRBTQUJKR-VXGBXAGGSA-N 2 2 279.388 0.800 20 0 CCADLP CCOC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000162628827 389421855 /nfs/dbraw/zinc/42/18/55/389421855.db2.gz GKIPNJQWVMCXEV-ZDUSSCGKSA-N 2 2 297.399 0.178 20 0 CCADLP CCOC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000162628827 389421861 /nfs/dbraw/zinc/42/18/61/389421861.db2.gz GKIPNJQWVMCXEV-ZDUSSCGKSA-N 2 2 297.399 0.178 20 0 CCADLP C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371400186 389431953 /nfs/dbraw/zinc/43/19/53/389431953.db2.gz DOQKIPWFRSFWLK-GUTXKFCHSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371400186 389431958 /nfs/dbraw/zinc/43/19/58/389431958.db2.gz DOQKIPWFRSFWLK-GUTXKFCHSA-N 2 2 295.427 0.696 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000333599329 389434017 /nfs/dbraw/zinc/43/40/17/389434017.db2.gz MGOBATFIKUWENX-CQSZACIVSA-N 2 2 291.399 0.842 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000333599329 389434020 /nfs/dbraw/zinc/43/40/20/389434020.db2.gz MGOBATFIKUWENX-CQSZACIVSA-N 2 2 291.399 0.842 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000164458411 389434630 /nfs/dbraw/zinc/43/46/30/389434630.db2.gz CHSANHIKTUVNLI-OAHLLOKOSA-N 2 2 291.395 0.867 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2[nH+]ccn2C)C[C@H]1C ZINC000271741732 389444695 /nfs/dbraw/zinc/44/46/95/389444695.db2.gz WGGCYYBKMRHOOM-NEPJUHHUSA-N 2 2 295.387 0.017 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NCc2[nH+]ccn2C)C[C@H]1C ZINC000271741732 389444698 /nfs/dbraw/zinc/44/46/98/389444698.db2.gz WGGCYYBKMRHOOM-NEPJUHHUSA-N 2 2 295.387 0.017 20 0 CCADLP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000333890639 389448725 /nfs/dbraw/zinc/44/87/25/389448725.db2.gz YDHRMEQXGBIYKS-DGCLKSJQSA-N 2 2 277.372 0.926 20 0 CCADLP CC[C@H](C)[C@H](O)C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422712435 389457538 /nfs/dbraw/zinc/45/75/38/389457538.db2.gz OCRPYOUDPYMLNS-GHYVTOPFSA-N 2 2 256.390 0.750 20 0 CCADLP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000422725911 389459669 /nfs/dbraw/zinc/45/96/69/389459669.db2.gz CMSKEFJJBJYGGF-JSGCOSHPSA-N 2 2 281.400 0.498 20 0 CCADLP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000422725911 389459672 /nfs/dbraw/zinc/45/96/72/389459672.db2.gz CMSKEFJJBJYGGF-JSGCOSHPSA-N 2 2 281.400 0.498 20 0 CCADLP C[NH2+]CCCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000422727308 389460350 /nfs/dbraw/zinc/46/03/50/389460350.db2.gz CCAIXKVXUMSSKV-UHFFFAOYSA-N 2 2 259.313 0.607 20 0 CCADLP C[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422925268 389506272 /nfs/dbraw/zinc/50/62/72/389506272.db2.gz ZYHQPRLLJXHPKW-LOWVWBTDSA-N 2 2 251.374 0.870 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422925277 389506837 /nfs/dbraw/zinc/50/68/37/389506837.db2.gz ZYHQPRLLJXHPKW-WZRBSPASSA-N 2 2 251.374 0.870 20 0 CCADLP COCC[N@H+](C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000373730298 389509594 /nfs/dbraw/zinc/50/95/94/389509594.db2.gz VRHUTCMEYCMGDI-GFCCVEGCSA-N 2 2 280.372 0.140 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000373730298 389509597 /nfs/dbraw/zinc/50/95/97/389509597.db2.gz VRHUTCMEYCMGDI-GFCCVEGCSA-N 2 2 280.372 0.140 20 0 CCADLP COCC[N@H+](C)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000373730309 389509820 /nfs/dbraw/zinc/50/98/20/389509820.db2.gz VRHUTCMEYCMGDI-LBPRGKRZSA-N 2 2 280.372 0.140 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000373730309 389509822 /nfs/dbraw/zinc/50/98/22/389509822.db2.gz VRHUTCMEYCMGDI-LBPRGKRZSA-N 2 2 280.372 0.140 20 0 CCADLP O=C1[C@@H]([N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)CCN1C1CC1 ZINC000334981575 389515659 /nfs/dbraw/zinc/51/56/59/389515659.db2.gz STQKZSQAGMLSRB-DZGCQCFKSA-N 2 2 263.385 0.825 20 0 CCADLP O=C1[C@@H]([N@H+]2CCC[C@]3(CC[NH2+]C3)C2)CCN1C1CC1 ZINC000334981575 389515661 /nfs/dbraw/zinc/51/56/61/389515661.db2.gz STQKZSQAGMLSRB-DZGCQCFKSA-N 2 2 263.385 0.825 20 0 CCADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000422980200 389515881 /nfs/dbraw/zinc/51/58/81/389515881.db2.gz OVEYXJCJHPIDLO-PBHICJAKSA-N 3 2 289.423 0.821 20 0 CCADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000422980200 389515883 /nfs/dbraw/zinc/51/58/83/389515883.db2.gz OVEYXJCJHPIDLO-PBHICJAKSA-N 3 2 289.423 0.821 20 0 CCADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000422980201 389516486 /nfs/dbraw/zinc/51/64/86/389516486.db2.gz OVEYXJCJHPIDLO-RHSMWYFYSA-N 3 2 289.423 0.821 20 0 CCADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000422980201 389516491 /nfs/dbraw/zinc/51/64/91/389516491.db2.gz OVEYXJCJHPIDLO-RHSMWYFYSA-N 3 2 289.423 0.821 20 0 CCADLP CC(C)N(C)C(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334994008 389518808 /nfs/dbraw/zinc/51/88/08/389518808.db2.gz REPQTSNPCUMVEB-AWEZNQCLSA-N 2 2 253.390 0.929 20 0 CCADLP CC(C)N(C)C(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334994008 389518813 /nfs/dbraw/zinc/51/88/13/389518813.db2.gz REPQTSNPCUMVEB-AWEZNQCLSA-N 2 2 253.390 0.929 20 0 CCADLP c1cc(CC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)ccn1 ZINC000423003114 389520346 /nfs/dbraw/zinc/52/03/46/389520346.db2.gz GZIORVGDNGUDGD-CABCVRRESA-N 2 2 261.369 0.981 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H](O)Cc1ccccc1 ZINC000423099106 389534273 /nfs/dbraw/zinc/53/42/73/389534273.db2.gz AHIDLHTYPYRCMV-NUEKZKHPSA-N 2 2 278.396 0.947 20 0 CCADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cnnn1C ZINC000423122170 389537849 /nfs/dbraw/zinc/53/78/49/389537849.db2.gz JMJYUNQEMAKKST-RISCZKNCSA-N 2 2 259.357 0.863 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000423150265 389544933 /nfs/dbraw/zinc/54/49/33/389544933.db2.gz IMWQAXJMYKZSKS-BARDWOONSA-N 2 2 283.416 0.206 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423159738 389546690 /nfs/dbraw/zinc/54/66/90/389546690.db2.gz PZGMBOUNTNETRJ-MXWKQRLJSA-N 2 2 263.407 0.044 20 0 CCADLP COC(=O)COc1ccccc1[C@@H](C)[NH2+]CC[NH3+] ZINC000423177408 389548869 /nfs/dbraw/zinc/54/88/69/389548869.db2.gz DVWFAIAZTQJXLS-SNVBAGLBSA-N 2 2 252.314 0.848 20 0 CCADLP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC000423197094 389551585 /nfs/dbraw/zinc/55/15/85/389551585.db2.gz XROZDTADOUMLEC-OLZOCXBDSA-N 3 2 283.416 0.649 20 0 CCADLP CC[C@H](C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1)[NH+](C)C ZINC000413783205 389556392 /nfs/dbraw/zinc/55/63/92/389556392.db2.gz LYFHJMKHHJVBHV-ZIAGYGMSSA-N 2 2 276.384 0.895 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374200451 389556697 /nfs/dbraw/zinc/55/66/97/389556697.db2.gz PUOIKTNJHJKPAY-JTQLQIEISA-N 2 2 293.371 0.823 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@@H](C[NH3+])CC(C)C ZINC000423267096 389558767 /nfs/dbraw/zinc/55/87/67/389558767.db2.gz SPXZWELNVVLIES-IJLUTSLNSA-N 2 2 257.378 0.243 20 0 CCADLP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+][C@@H](C[NH3+])CC(C)C ZINC000423267096 389558772 /nfs/dbraw/zinc/55/87/72/389558772.db2.gz SPXZWELNVVLIES-IJLUTSLNSA-N 2 2 257.378 0.243 20 0 CCADLP CC1(C(=O)NCCc2cn3ccccc3[nH+]2)C[NH2+]C1 ZINC000423301294 389561218 /nfs/dbraw/zinc/56/12/18/389561218.db2.gz HDQPORAZDBCJIK-UHFFFAOYSA-N 2 2 258.325 0.603 20 0 CCADLP CN(C)c1ccc(CNC(=O)CC2(C[NH3+])CC2)c[nH+]1 ZINC000423323497 389565119 /nfs/dbraw/zinc/56/51/19/389565119.db2.gz JNZSFNQPBDFTKQ-UHFFFAOYSA-N 2 2 262.357 0.893 20 0 CCADLP O=C(C1CC1)[C@H]1C[N@H+](CCCn2cc[nH+]c2)CCO1 ZINC000351141343 389566122 /nfs/dbraw/zinc/56/61/22/389566122.db2.gz MPGJZAZEEKYTII-CYBMUJFWSA-N 2 2 263.341 0.953 20 0 CCADLP O=C(C1CC1)[C@H]1C[N@@H+](CCCn2cc[nH+]c2)CCO1 ZINC000351141343 389566124 /nfs/dbraw/zinc/56/61/24/389566124.db2.gz MPGJZAZEEKYTII-CYBMUJFWSA-N 2 2 263.341 0.953 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422883835 389500375 /nfs/dbraw/zinc/50/03/75/389500375.db2.gz VRFUPBVZVQEGMR-QLFBSQMISA-N 2 2 295.427 0.840 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422883835 389500378 /nfs/dbraw/zinc/50/03/78/389500378.db2.gz VRFUPBVZVQEGMR-QLFBSQMISA-N 2 2 295.427 0.840 20 0 CCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1C)C2 ZINC000335861287 389612555 /nfs/dbraw/zinc/61/25/55/389612555.db2.gz AKBQAADKVYTNBB-YPMHNXCESA-N 2 2 276.384 0.916 20 0 CCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[N@H+](C)C[C@H]1C)C2 ZINC000335861287 389612560 /nfs/dbraw/zinc/61/25/60/389612560.db2.gz AKBQAADKVYTNBB-YPMHNXCESA-N 2 2 276.384 0.916 20 0 CCADLP COCCn1cc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cn1 ZINC000414955961 389647911 /nfs/dbraw/zinc/64/79/11/389647911.db2.gz PDQRNDMWINRNBP-DGCLKSJQSA-N 2 2 252.362 0.760 20 0 CCADLP COc1ccc(OC)c(C[N@H+](CCO)CCC[NH3+])c1 ZINC000414707793 389629581 /nfs/dbraw/zinc/62/95/81/389629581.db2.gz ZBERRATTYNRLIH-UHFFFAOYSA-N 2 2 268.357 0.847 20 0 CCADLP COc1ccc(OC)c(C[N@@H+](CCO)CCC[NH3+])c1 ZINC000414707793 389629584 /nfs/dbraw/zinc/62/95/84/389629584.db2.gz ZBERRATTYNRLIH-UHFFFAOYSA-N 2 2 268.357 0.847 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCOCC2(CC2)C1)C1CC1 ZINC000351612541 389634012 /nfs/dbraw/zinc/63/40/12/389634012.db2.gz WVBUUFUEHLWSKY-ZDUSSCGKSA-N 2 2 254.374 0.554 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCOCC2(CC2)C1)C1CC1 ZINC000351612541 389634017 /nfs/dbraw/zinc/63/40/17/389634017.db2.gz WVBUUFUEHLWSKY-ZDUSSCGKSA-N 2 2 254.374 0.554 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCOCC2(CC2)C1)C1CC1 ZINC000351612541 389634019 /nfs/dbraw/zinc/63/40/19/389634019.db2.gz WVBUUFUEHLWSKY-ZDUSSCGKSA-N 2 2 254.374 0.554 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCOCC2(CC2)C1)C1CC1 ZINC000351612541 389634021 /nfs/dbraw/zinc/63/40/21/389634021.db2.gz WVBUUFUEHLWSKY-ZDUSSCGKSA-N 2 2 254.374 0.554 20 0 CCADLP C[N@H+](Cc1cnc(N2CCOCC2)s1)C1CC([NH3+])C1 ZINC000414764257 389636697 /nfs/dbraw/zinc/63/66/97/389636697.db2.gz AOPWQKKXPNFECX-UHFFFAOYSA-N 2 2 282.413 0.901 20 0 CCADLP C[N@@H+](Cc1cnc(N2CCOCC2)s1)C1CC([NH3+])C1 ZINC000414764257 389636701 /nfs/dbraw/zinc/63/67/01/389636701.db2.gz AOPWQKKXPNFECX-UHFFFAOYSA-N 2 2 282.413 0.901 20 0 CCADLP COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@H]1C ZINC000351637871 389644131 /nfs/dbraw/zinc/64/41/31/389644131.db2.gz WCWGPWKSSOAAKI-KWCYVHTRSA-N 2 2 284.400 0.573 20 0 CCADLP COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@H]1C ZINC000351637871 389644133 /nfs/dbraw/zinc/64/41/33/389644133.db2.gz WCWGPWKSSOAAKI-KWCYVHTRSA-N 2 2 284.400 0.573 20 0 CCADLP COC(=O)[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C[C@H]1C ZINC000351637871 389644138 /nfs/dbraw/zinc/64/41/38/389644138.db2.gz WCWGPWKSSOAAKI-KWCYVHTRSA-N 2 2 284.400 0.573 20 0 CCADLP COC(=O)[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C[C@H]1C ZINC000351637871 389644141 /nfs/dbraw/zinc/64/41/41/389644141.db2.gz WCWGPWKSSOAAKI-KWCYVHTRSA-N 2 2 284.400 0.573 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCC23CCC3)CC1 ZINC000335523502 389572882 /nfs/dbraw/zinc/57/28/82/389572882.db2.gz XGWZUHKHEVVRHF-UHFFFAOYSA-N 2 2 251.374 0.779 20 0 CCADLP CCCC[N@@H+](CC(N)=O)C[C@H](O)C[NH+](C)C1CC1 ZINC000351332674 389574823 /nfs/dbraw/zinc/57/48/23/389574823.db2.gz AVDCWSAIODTZSN-GFCCVEGCSA-N 2 2 257.378 0.029 20 0 CCADLP CCCC[N@H+](CC(N)=O)C[C@H](O)C[NH+](C)C1CC1 ZINC000351332674 389574829 /nfs/dbraw/zinc/57/48/29/389574829.db2.gz AVDCWSAIODTZSN-GFCCVEGCSA-N 2 2 257.378 0.029 20 0 CCADLP CCCC[NH+](CC(N)=O)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351332674 389574832 /nfs/dbraw/zinc/57/48/32/389574832.db2.gz AVDCWSAIODTZSN-GFCCVEGCSA-N 2 2 257.378 0.029 20 0 CCADLP CCCC[NH+](CC(N)=O)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351332674 389574838 /nfs/dbraw/zinc/57/48/38/389574838.db2.gz AVDCWSAIODTZSN-GFCCVEGCSA-N 2 2 257.378 0.029 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@H]2CC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000335536496 389575144 /nfs/dbraw/zinc/57/51/44/389575144.db2.gz ZCMYFTFPTSWJAW-KGLIPLIRSA-N 2 2 259.353 0.864 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]2CC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000335536496 389575149 /nfs/dbraw/zinc/57/51/49/389575149.db2.gz ZCMYFTFPTSWJAW-KGLIPLIRSA-N 2 2 259.353 0.864 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H]([NH3+])C1CCC1)[NH+]1CCOCC1 ZINC000423383975 389576602 /nfs/dbraw/zinc/57/66/02/389576602.db2.gz PQCUYFYMHGDQNI-LOWVWBTDSA-N 2 2 269.389 0.339 20 0 CCADLP C[C@H]1CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)[C@H]1CO ZINC000425330477 389645034 /nfs/dbraw/zinc/64/50/34/389645034.db2.gz ATQYCBQZNZGYIL-JQWIXIFHSA-N 2 2 252.362 0.689 20 0 CCADLP C[C@H]1CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)[C@H]1CO ZINC000425330477 389645041 /nfs/dbraw/zinc/64/50/41/389645041.db2.gz ATQYCBQZNZGYIL-JQWIXIFHSA-N 2 2 252.362 0.689 20 0 CCADLP CC(C)n1c[nH+]cc1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000425337044 389645533 /nfs/dbraw/zinc/64/55/33/389645533.db2.gz MIUHNIUBTYQNQC-AWEZNQCLSA-N 2 2 264.373 0.980 20 0 CCADLP CC(C)n1c[nH+]cc1C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000425337044 389645536 /nfs/dbraw/zinc/64/55/36/389645536.db2.gz MIUHNIUBTYQNQC-AWEZNQCLSA-N 2 2 264.373 0.980 20 0 CCADLP C[C@H](Cc1cnn(C)c1)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425340414 389645542 /nfs/dbraw/zinc/64/55/42/389645542.db2.gz ANJAUXFSUUWCTM-LLVKDONJSA-N 2 2 276.388 0.940 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000423449119 389589009 /nfs/dbraw/zinc/58/90/09/389589009.db2.gz BZGWMGGEMFYLCQ-CHWSQXEVSA-N 2 2 291.399 0.442 20 0 CCADLP C[C@H]1CC[NH2+][C@@H](C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000423449122 389589188 /nfs/dbraw/zinc/58/91/88/389589188.db2.gz BZGWMGGEMFYLCQ-QWHCGFSZSA-N 2 2 291.399 0.442 20 0 CCADLP [NH3+][C@@H](CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C1CC1 ZINC000423469966 389590976 /nfs/dbraw/zinc/59/09/76/389590976.db2.gz CQDPETZUDOEJCS-UONOGXRCSA-N 2 2 281.400 0.483 20 0 CCADLP [NH3+][C@@H](CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C1CC1 ZINC000423469966 389590978 /nfs/dbraw/zinc/59/09/78/389590978.db2.gz CQDPETZUDOEJCS-UONOGXRCSA-N 2 2 281.400 0.483 20 0 CCADLP COC[C@]1(C[NH2+]Cc2ccc3c(c2)nnn3C)CCC[NH2+]1 ZINC000414949461 389645826 /nfs/dbraw/zinc/64/58/26/389645826.db2.gz ZPXNOHBEVVRNCL-OAHLLOKOSA-N 2 2 289.383 0.827 20 0 CCADLP CO[C@H](C)c1noc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000351498849 389596004 /nfs/dbraw/zinc/59/60/04/389596004.db2.gz WEMPHYKVXWBCCB-LMLFDSFASA-N 2 2 266.345 0.946 20 0 CCADLP CO[C@H](C)c1noc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000351498849 389596007 /nfs/dbraw/zinc/59/60/07/389596007.db2.gz WEMPHYKVXWBCCB-LMLFDSFASA-N 2 2 266.345 0.946 20 0 CCADLP COc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCN2C)cc1O ZINC000423511181 389596834 /nfs/dbraw/zinc/59/68/34/389596834.db2.gz JXZFXZQIHLAOAG-YPMHNXCESA-N 2 2 279.384 0.955 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC1([NH3+])CCC1 ZINC000423512784 389597378 /nfs/dbraw/zinc/59/73/78/389597378.db2.gz QIIYBDPSGWZCHQ-LBPRGKRZSA-N 2 2 269.389 0.485 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC1([NH3+])CCC1 ZINC000423512784 389597381 /nfs/dbraw/zinc/59/73/81/389597381.db2.gz QIIYBDPSGWZCHQ-LBPRGKRZSA-N 2 2 269.389 0.485 20 0 CCADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1cccc(CO)c1 ZINC000423522099 389600159 /nfs/dbraw/zinc/60/01/59/389600159.db2.gz RHRLLSQWVJRBEW-SWLSCSKDSA-N 2 2 263.385 0.733 20 0 CCADLP Cc1ccc(O)c(C[NH2+]C[C@H]2C[NH2+]CCN2C)n1 ZINC000414966217 389649214 /nfs/dbraw/zinc/64/92/14/389649214.db2.gz OEYAJXYMCVMRPW-LLVKDONJSA-N 2 2 250.346 0.089 20 0 CCADLP c1cn2c(cccc2C[N@@H+]2CCN3CCOC[C@H]3C2)[nH+]1 ZINC000375239984 389652073 /nfs/dbraw/zinc/65/20/73/389652073.db2.gz VYQSOSDMIVVVNZ-CQSZACIVSA-N 2 2 272.352 0.851 20 0 CCADLP c1cn2c(cccc2C[N@H+]2CCN3CCOC[C@H]3C2)[nH+]1 ZINC000375239984 389652078 /nfs/dbraw/zinc/65/20/78/389652078.db2.gz VYQSOSDMIVVVNZ-CQSZACIVSA-N 2 2 272.352 0.851 20 0 CCADLP C([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)[C@@H]1C[NH2+]CCO1 ZINC000415090406 389657556 /nfs/dbraw/zinc/65/75/56/389657556.db2.gz AMDBTICOFQFERE-LOWDOPEQSA-N 2 2 252.358 0.522 20 0 CCADLP Cn1cc(C[NH2+]C[C@H]2C[NH2+]CCO2)c(C(C)(C)C)n1 ZINC000415095743 389657953 /nfs/dbraw/zinc/65/79/53/389657953.db2.gz OASJURJWHKFFDD-GFCCVEGCSA-N 2 2 266.389 0.796 20 0 CCADLP COc1cccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)c1OC ZINC000415099427 389659702 /nfs/dbraw/zinc/65/97/02/389659702.db2.gz YJYKDSFSLXCUGD-LBPRGKRZSA-N 2 2 266.341 0.782 20 0 CCADLP CN(CC[N@H+](C)CC(=O)N1CCCC1)C1CC[NH+](C)CC1 ZINC000180960503 389678769 /nfs/dbraw/zinc/67/87/69/389678769.db2.gz NTJVFAVZVGFKMM-UHFFFAOYSA-N 2 2 296.459 0.567 20 0 CCADLP CN(CC[N@@H+](C)CC(=O)N1CCCC1)C1CC[NH+](C)CC1 ZINC000180960503 389678772 /nfs/dbraw/zinc/67/87/72/389678772.db2.gz NTJVFAVZVGFKMM-UHFFFAOYSA-N 2 2 296.459 0.567 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)N1CCCC1 ZINC000180960503 389678773 /nfs/dbraw/zinc/67/87/73/389678773.db2.gz NTJVFAVZVGFKMM-UHFFFAOYSA-N 2 2 296.459 0.567 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)N1CCCC1 ZINC000180960503 389678776 /nfs/dbraw/zinc/67/87/76/389678776.db2.gz NTJVFAVZVGFKMM-UHFFFAOYSA-N 2 2 296.459 0.567 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)n(C)n1 ZINC000351856735 389699905 /nfs/dbraw/zinc/69/99/05/389699905.db2.gz VYJSTTMQAHWRRO-WDEREUQCSA-N 2 2 265.361 0.336 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)n(C)n1 ZINC000351856735 389699909 /nfs/dbraw/zinc/69/99/09/389699909.db2.gz VYJSTTMQAHWRRO-WDEREUQCSA-N 2 2 265.361 0.336 20 0 CCADLP CC[C@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000378202439 389756888 /nfs/dbraw/zinc/75/68/88/389756888.db2.gz MVHIXIZGVXKYFT-AWEZNQCLSA-N 3 2 296.459 0.790 20 0 CCADLP CC(C)(CNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000416832040 389774607 /nfs/dbraw/zinc/77/46/07/389774607.db2.gz UEZAGQYXENKYSN-CHWSQXEVSA-N 2 2 298.431 0.524 20 0 CCADLP C[C@H]1CCN(C(=O)NCCn2cc[nH+]c2)C[C@H]1C[NH3+] ZINC000416842777 389775713 /nfs/dbraw/zinc/77/57/13/389775713.db2.gz JXXXJBFCTKNYDO-NWDGAFQWSA-N 2 2 265.361 0.509 20 0 CCADLP CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000397458318 389777884 /nfs/dbraw/zinc/77/78/84/389777884.db2.gz OCKIALFXGSTILQ-QWHCGFSZSA-N 2 2 299.415 0.964 20 0 CCADLP Cc1cc(NC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)cc[nH+]1 ZINC000416953645 389784543 /nfs/dbraw/zinc/78/45/43/389784543.db2.gz PDQIANQMTRWFRS-QWHCGFSZSA-N 2 2 292.383 0.731 20 0 CCADLP Cc1cc(NC(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)cc[nH+]1 ZINC000416953645 389784546 /nfs/dbraw/zinc/78/45/46/389784546.db2.gz PDQIANQMTRWFRS-QWHCGFSZSA-N 2 2 292.383 0.731 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000417015062 389789633 /nfs/dbraw/zinc/78/96/33/389789633.db2.gz LXTOBDQOWDLNDZ-YPMHNXCESA-N 2 2 291.399 0.945 20 0 CCADLP C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)[nH+]c2)CC[NH2+]1 ZINC000417011727 389789701 /nfs/dbraw/zinc/78/97/01/389789701.db2.gz SUPZIEZCOIKCFR-LLVKDONJSA-N 2 2 277.372 0.651 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000417024126 389790146 /nfs/dbraw/zinc/79/01/46/389790146.db2.gz WXBKEMCCPFUODG-LBPRGKRZSA-N 2 2 277.372 0.699 20 0 CCADLP CCC([NH3+])(CC)CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000417033357 389790990 /nfs/dbraw/zinc/79/09/90/389790990.db2.gz QIDHYBUQIYCUQV-LBPRGKRZSA-N 2 2 286.420 0.524 20 0 CCADLP C[C@@H](C[NH3+])CNC(=O)NCCCNc1cccc[nH+]1 ZINC000417078315 389794313 /nfs/dbraw/zinc/79/43/13/389794313.db2.gz LZDPRBZEPBAJIJ-NSHDSACASA-N 2 2 265.361 0.778 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000376191024 389731090 /nfs/dbraw/zinc/73/10/90/389731090.db2.gz XCUXPFXFWVXGLC-KBPBESRZSA-N 2 2 283.416 0.648 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000376191024 389731091 /nfs/dbraw/zinc/73/10/91/389731091.db2.gz XCUXPFXFWVXGLC-KBPBESRZSA-N 2 2 283.416 0.648 20 0 CCADLP CCCN(C(=O)[C@H](C)[NH+]1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000429103460 389737322 /nfs/dbraw/zinc/73/73/22/389737322.db2.gz BTPGQQDYMXHKPI-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377199973 389745600 /nfs/dbraw/zinc/74/56/00/389745600.db2.gz VZDWJKDDJVHWMX-YDHLFZDLSA-N 3 2 296.459 0.645 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377199973 389745601 /nfs/dbraw/zinc/74/56/01/389745601.db2.gz VZDWJKDDJVHWMX-YDHLFZDLSA-N 3 2 296.459 0.645 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000352074010 389746692 /nfs/dbraw/zinc/74/66/92/389746692.db2.gz KMFJGIPPWNITEM-STQMWFEESA-N 2 2 291.461 0.682 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000352074010 389746693 /nfs/dbraw/zinc/74/66/93/389746693.db2.gz KMFJGIPPWNITEM-STQMWFEESA-N 2 2 291.461 0.682 20 0 CCADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccncc1 ZINC000430552521 389806688 /nfs/dbraw/zinc/80/66/88/389806688.db2.gz RXJCTKUHKBVGDO-ZDUSSCGKSA-N 2 2 250.346 0.405 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)NCC(=O)N1CCCC1 ZINC000430548315 389806903 /nfs/dbraw/zinc/80/69/03/389806903.db2.gz GVZKQEQFELRFHB-ZDUSSCGKSA-N 2 2 298.431 0.030 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)NCC(=O)N1CCCC1 ZINC000430548315 389806907 /nfs/dbraw/zinc/80/69/07/389806907.db2.gz GVZKQEQFELRFHB-ZDUSSCGKSA-N 2 2 298.431 0.030 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000430548437 389807055 /nfs/dbraw/zinc/80/70/55/389807055.db2.gz WOJGTAXLUFSNTM-GJZGRUSLSA-N 3 2 298.475 0.844 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000430548437 389807057 /nfs/dbraw/zinc/80/70/57/389807057.db2.gz WOJGTAXLUFSNTM-GJZGRUSLSA-N 3 2 298.475 0.844 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000430550512 389807071 /nfs/dbraw/zinc/80/70/71/389807071.db2.gz GPSHYMPVHBDACQ-SGMGOOAPSA-N 2 2 291.399 0.585 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000430550512 389807074 /nfs/dbraw/zinc/80/70/74/389807074.db2.gz GPSHYMPVHBDACQ-SGMGOOAPSA-N 2 2 291.399 0.585 20 0 CCADLP Cc1cc(NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C)n(C)n1 ZINC000430586098 389809865 /nfs/dbraw/zinc/80/98/65/389809865.db2.gz VFTRFOOCIIRZCW-ZDUSSCGKSA-N 2 2 267.377 0.630 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000430593282 389810472 /nfs/dbraw/zinc/81/04/72/389810472.db2.gz ORINGRQVIRYSPJ-HNNXBMFYSA-N 3 2 298.475 0.892 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000430593282 389810474 /nfs/dbraw/zinc/81/04/74/389810474.db2.gz ORINGRQVIRYSPJ-HNNXBMFYSA-N 3 2 298.475 0.892 20 0 CCADLP Cc1cc(NC(=O)C[NH2+][C@](C)(C[NH3+])C2CC2)n(C)n1 ZINC000430594011 389810783 /nfs/dbraw/zinc/81/07/83/389810783.db2.gz QHQFQJCSZRLJIY-CYBMUJFWSA-N 2 2 265.361 0.384 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCCN1CCOCC1 ZINC000430614736 389812766 /nfs/dbraw/zinc/81/27/66/389812766.db2.gz AGKBSVQMMMYEDH-KBPBESRZSA-N 2 2 255.406 0.910 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCCN1CCOCC1 ZINC000430614736 389812767 /nfs/dbraw/zinc/81/27/67/389812767.db2.gz AGKBSVQMMMYEDH-KBPBESRZSA-N 2 2 255.406 0.910 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCCN1CCC[NH+]1CCOCC1 ZINC000430614736 389812769 /nfs/dbraw/zinc/81/27/69/389812769.db2.gz AGKBSVQMMMYEDH-KBPBESRZSA-N 2 2 255.406 0.910 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C1 ZINC000430616140 389812894 /nfs/dbraw/zinc/81/28/94/389812894.db2.gz DYNZFDOZVHHLPV-SOUVJXGZSA-N 2 2 295.427 0.827 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C1 ZINC000430616140 389812897 /nfs/dbraw/zinc/81/28/97/389812897.db2.gz DYNZFDOZVHHLPV-SOUVJXGZSA-N 2 2 295.427 0.827 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCCN1C(=O)NC(C)(C)C1=O ZINC000430618867 389813677 /nfs/dbraw/zinc/81/36/77/389813677.db2.gz XMENDTXNKYQTFS-RYUDHWBXSA-N 2 2 296.415 0.909 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCCN1C(=O)NC(C)(C)C1=O ZINC000430618867 389813678 /nfs/dbraw/zinc/81/36/78/389813678.db2.gz XMENDTXNKYQTFS-RYUDHWBXSA-N 2 2 296.415 0.909 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430625219 389814270 /nfs/dbraw/zinc/81/42/70/389814270.db2.gz QBZMWRUEYAMVDW-AGIUHOORSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430625219 389814272 /nfs/dbraw/zinc/81/42/72/389814272.db2.gz QBZMWRUEYAMVDW-AGIUHOORSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430625221 389814297 /nfs/dbraw/zinc/81/42/97/389814297.db2.gz QBZMWRUEYAMVDW-JHJVBQTASA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430625221 389814300 /nfs/dbraw/zinc/81/43/00/389814300.db2.gz QBZMWRUEYAMVDW-JHJVBQTASA-N 2 2 269.389 0.341 20 0 CCADLP C[NH2+][C@@H]1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000417429458 389815370 /nfs/dbraw/zinc/81/53/70/389815370.db2.gz VJXXWKSOCWHSLG-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP C[NH2+][C@@H]1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000417429458 389815375 /nfs/dbraw/zinc/81/53/75/389815375.db2.gz VJXXWKSOCWHSLG-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)NCC2CCC2)C1 ZINC000430642576 389815647 /nfs/dbraw/zinc/81/56/47/389815647.db2.gz PAPAQUTYZZCQCY-ZDUSSCGKSA-N 2 2 253.390 0.834 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC000430642576 389815649 /nfs/dbraw/zinc/81/56/49/389815649.db2.gz PAPAQUTYZZCQCY-ZDUSSCGKSA-N 2 2 253.390 0.834 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(C[NH3+])CC2)CC1 ZINC000430653315 389816516 /nfs/dbraw/zinc/81/65/16/389816516.db2.gz YTRZCHIDOQXCGA-ZDUSSCGKSA-N 3 2 282.432 0.210 20 0 CCADLP Cc1noc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000430654695 389816705 /nfs/dbraw/zinc/81/67/05/389816705.db2.gz QRLSKYMBDGSWLI-LBPRGKRZSA-N 2 2 293.371 0.022 20 0 CCADLP Cc1noc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000430654695 389816707 /nfs/dbraw/zinc/81/67/07/389816707.db2.gz QRLSKYMBDGSWLI-LBPRGKRZSA-N 2 2 293.371 0.022 20 0 CCADLP CCCC[C@@H](C[NH3+])NC(=O)NCc1[nH+]ccn1C ZINC000417485011 389820155 /nfs/dbraw/zinc/82/01/55/389820155.db2.gz VSDKRAJPFDNJRH-JTQLQIEISA-N 2 2 253.350 0.737 20 0 CCADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1COCC[NH2+]1 ZINC000430738111 389822200 /nfs/dbraw/zinc/82/22/00/389822200.db2.gz DCQIOXBALFUOAW-ZDUSSCGKSA-N 2 2 272.308 0.799 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000417510324 389823428 /nfs/dbraw/zinc/82/34/28/389823428.db2.gz SPLWOHWQCRHFAX-LBPRGKRZSA-N 2 2 286.420 0.252 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000417510324 389823431 /nfs/dbraw/zinc/82/34/31/389823431.db2.gz SPLWOHWQCRHFAX-LBPRGKRZSA-N 2 2 286.420 0.252 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000417510323 389823449 /nfs/dbraw/zinc/82/34/49/389823449.db2.gz SPLWOHWQCRHFAX-GFCCVEGCSA-N 2 2 286.420 0.252 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000417510323 389823452 /nfs/dbraw/zinc/82/34/52/389823452.db2.gz SPLWOHWQCRHFAX-GFCCVEGCSA-N 2 2 286.420 0.252 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000417528376 389826886 /nfs/dbraw/zinc/82/68/86/389826886.db2.gz PQMVODATJUGYGK-RDBSUJKOSA-N 2 2 298.431 0.524 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000417528376 389826887 /nfs/dbraw/zinc/82/68/87/389826887.db2.gz PQMVODATJUGYGK-RDBSUJKOSA-N 2 2 298.431 0.524 20 0 CCADLP C[C@@H]1CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)[C@@H](C[NH3+])C1 ZINC000417551983 389828969 /nfs/dbraw/zinc/82/89/69/389828969.db2.gz PJKGHYBAVIDXQD-UPJWGTAASA-N 2 2 284.404 0.086 20 0 CCADLP C[C@@H]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)[C@@H](C[NH3+])C1 ZINC000417551983 389828972 /nfs/dbraw/zinc/82/89/72/389828972.db2.gz PJKGHYBAVIDXQD-UPJWGTAASA-N 2 2 284.404 0.086 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000430877934 389830558 /nfs/dbraw/zinc/83/05/58/389830558.db2.gz GMVDOAHYLWULFL-KBXIAJHMSA-N 2 2 295.427 0.744 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000430877934 389830561 /nfs/dbraw/zinc/83/05/61/389830561.db2.gz GMVDOAHYLWULFL-KBXIAJHMSA-N 2 2 295.427 0.744 20 0 CCADLP [NH3+]CCCC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000430898059 389833349 /nfs/dbraw/zinc/83/33/49/389833349.db2.gz UKOZUGFRKFYGFL-UHFFFAOYSA-N 2 2 264.251 0.801 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[N@H+](C)C1CC1 ZINC000352664657 389833868 /nfs/dbraw/zinc/83/38/68/389833868.db2.gz NPDYYVDMGOTDIT-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[N@@H+](C)C1CC1 ZINC000352664657 389833871 /nfs/dbraw/zinc/83/38/71/389833871.db2.gz NPDYYVDMGOTDIT-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)NCCOc2ccc(F)cc2)C1 ZINC000430916807 389834324 /nfs/dbraw/zinc/83/43/24/389834324.db2.gz BKBCQGZEXOOBDG-LBPRGKRZSA-N 2 2 295.358 0.601 20 0 CCADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)NCCOc2ccc(F)cc2)C1 ZINC000430916807 389834330 /nfs/dbraw/zinc/83/43/30/389834330.db2.gz BKBCQGZEXOOBDG-LBPRGKRZSA-N 2 2 295.358 0.601 20 0 CCADLP COCc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000430918611 389834734 /nfs/dbraw/zinc/83/47/34/389834734.db2.gz IGQPCUJPOQXCBB-HNNXBMFYSA-N 2 2 291.395 0.730 20 0 CCADLP COCc1ccc(CNC(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000430918611 389834736 /nfs/dbraw/zinc/83/47/36/389834736.db2.gz IGQPCUJPOQXCBB-HNNXBMFYSA-N 2 2 291.395 0.730 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000430932572 389836615 /nfs/dbraw/zinc/83/66/15/389836615.db2.gz FKFMYGTZXGTHKA-NEPJUHHUSA-N 2 2 284.404 0.398 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000430932572 389836618 /nfs/dbraw/zinc/83/66/18/389836618.db2.gz FKFMYGTZXGTHKA-NEPJUHHUSA-N 2 2 284.404 0.398 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430950943 389838867 /nfs/dbraw/zinc/83/88/67/389838867.db2.gz SWYPWDHDILJGBO-UONOGXRCSA-N 2 2 285.432 0.834 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430950943 389838871 /nfs/dbraw/zinc/83/88/71/389838871.db2.gz SWYPWDHDILJGBO-UONOGXRCSA-N 2 2 285.432 0.834 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430958043 389840380 /nfs/dbraw/zinc/84/03/80/389840380.db2.gz WFABPGLCHXCFJC-QWHCGFSZSA-N 2 2 271.405 0.588 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430958043 389840383 /nfs/dbraw/zinc/84/03/83/389840383.db2.gz WFABPGLCHXCFJC-QWHCGFSZSA-N 2 2 271.405 0.588 20 0 CCADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430964071 389840754 /nfs/dbraw/zinc/84/07/54/389840754.db2.gz XMXGIQZSFYUQQE-AGIUHOORSA-N 2 2 296.415 0.672 20 0 CCADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430964071 389840756 /nfs/dbraw/zinc/84/07/56/389840756.db2.gz XMXGIQZSFYUQQE-AGIUHOORSA-N 2 2 296.415 0.672 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430960469 389841005 /nfs/dbraw/zinc/84/10/05/389841005.db2.gz JKIBNSMNSRXRAD-WCABBAIRSA-N 2 2 268.361 0.032 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430960469 389841009 /nfs/dbraw/zinc/84/10/09/389841009.db2.gz JKIBNSMNSRXRAD-WCABBAIRSA-N 2 2 268.361 0.032 20 0 CCADLP CC(C)(C)[C@H]([NH3+])C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000431003324 389843451 /nfs/dbraw/zinc/84/34/51/389843451.db2.gz FXRVFHQNADYMTG-GFCCVEGCSA-N 2 2 279.388 0.427 20 0 CCADLP C[C@@H]1CN(C(=O)C(C)(C)C[NH3+])C[C@@H]1[NH+]1CCOCC1 ZINC000431012224 389844095 /nfs/dbraw/zinc/84/40/95/389844095.db2.gz DQMLORZWWNKFOD-NEPJUHHUSA-N 2 2 269.389 0.150 20 0 CCADLP C[C@H]([NH3+])C(=O)NC1(c2noc(C[NH+](C)C)n2)CCCC1 ZINC000431039429 389847339 /nfs/dbraw/zinc/84/73/39/389847339.db2.gz RSTSRBPFOOEVCW-VIFPVBQESA-N 2 2 281.360 0.364 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418404115 389874755 /nfs/dbraw/zinc/87/47/55/389874755.db2.gz JBVWCMDFYCBHNF-KBPBESRZSA-N 2 2 298.431 0.478 20 0 CCADLP [NH3+][C@H](C(=O)NCC1([NH3+])CCC1)c1c(F)cccc1F ZINC000417810710 389851364 /nfs/dbraw/zinc/85/13/64/389851364.db2.gz NXCFCBDKVGRUDV-NSHDSACASA-N 2 2 269.295 0.962 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000442667205 389854654 /nfs/dbraw/zinc/85/46/54/389854654.db2.gz YPNIEEYMGTUASJ-GHMZBOCLSA-N 2 2 263.407 0.127 20 0 CCADLP C[C@@H]([NH3+])C[N@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000442667205 389854657 /nfs/dbraw/zinc/85/46/57/389854657.db2.gz YPNIEEYMGTUASJ-GHMZBOCLSA-N 2 2 263.407 0.127 20 0 CCADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000417832054 389854659 /nfs/dbraw/zinc/85/46/59/389854659.db2.gz CTERSPKBDSZDLP-WDEREUQCSA-N 2 2 294.403 0.378 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)[C@@H]1CCOC1 ZINC000354134346 389860440 /nfs/dbraw/zinc/86/04/40/389860440.db2.gz RWMYELCCQVAQPH-ZNMIVQPWSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)[C@@H]1CCOC1 ZINC000354134346 389860442 /nfs/dbraw/zinc/86/04/42/389860442.db2.gz RWMYELCCQVAQPH-ZNMIVQPWSA-N 2 2 297.443 0.944 20 0 CCADLP CNC(=O)Cc1nc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cs1 ZINC000442785177 389863313 /nfs/dbraw/zinc/86/33/13/389863313.db2.gz XGHKMNJJINQRNL-ZJUUUORDSA-N 2 2 282.413 0.601 20 0 CCADLP CNC(=O)Cc1nc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cs1 ZINC000442785177 389863316 /nfs/dbraw/zinc/86/33/16/389863316.db2.gz XGHKMNJJINQRNL-ZJUUUORDSA-N 2 2 282.413 0.601 20 0 CCADLP CC[C@H](NC(=O)CN1CC[NH+](CC)CC1)c1[nH]cc[nH+]1 ZINC000442804308 389863785 /nfs/dbraw/zinc/86/37/85/389863785.db2.gz WHGXSJGZGWCRJT-LBPRGKRZSA-N 2 2 279.388 0.615 20 0 CCADLP C[C@H](CS(C)(=O)=O)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432438928 389881022 /nfs/dbraw/zinc/88/10/22/389881022.db2.gz DQSLBMPRECXISM-OLZOCXBDSA-N 2 2 292.445 0.510 20 0 CCADLP C[C@H](CS(C)(=O)=O)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432438928 389881025 /nfs/dbraw/zinc/88/10/25/389881025.db2.gz DQSLBMPRECXISM-OLZOCXBDSA-N 2 2 292.445 0.510 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000433176085 389903676 /nfs/dbraw/zinc/90/36/76/389903676.db2.gz QZCGBQXSNSGXOM-JTQLQIEISA-N 2 2 297.403 0.713 20 0 CCADLP CNC(=O)N[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000444633954 389911152 /nfs/dbraw/zinc/91/11/52/389911152.db2.gz FROHWEMQMBIJAP-CYBMUJFWSA-N 2 2 268.405 0.866 20 0 CCADLP CNC(=O)N[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000444633954 389911153 /nfs/dbraw/zinc/91/11/53/389911153.db2.gz FROHWEMQMBIJAP-CYBMUJFWSA-N 2 2 268.405 0.866 20 0 CCADLP CC[N@H+](Cc1cc(=O)n2[nH]ccc2n1)[C@@H]1CCC[NH2+]CC1 ZINC000435625005 389959564 /nfs/dbraw/zinc/95/95/64/389959564.db2.gz GTSFZVUHHVYSBX-CYBMUJFWSA-N 2 2 289.383 0.987 20 0 CCADLP CC[N@@H+](Cc1cc(=O)n2[nH]ccc2n1)[C@@H]1CCC[NH2+]CC1 ZINC000435625005 389959567 /nfs/dbraw/zinc/95/95/67/389959567.db2.gz GTSFZVUHHVYSBX-CYBMUJFWSA-N 2 2 289.383 0.987 20 0 CCADLP CCCCNc1cc(NC[C@@H](C)C[NH2+]C)nc(N)[nH+]1 ZINC000420183762 389963434 /nfs/dbraw/zinc/96/34/34/389963434.db2.gz AFPNXMORHPOZFT-JTQLQIEISA-N 2 2 266.393 0.790 20 0 CCADLP CCCCNc1cc(NC[C@@H](C)C[NH2+]C)[nH+]c(N)n1 ZINC000420183762 389963437 /nfs/dbraw/zinc/96/34/37/389963437.db2.gz AFPNXMORHPOZFT-JTQLQIEISA-N 2 2 266.393 0.790 20 0 CCADLP C[NH2+]CCC[N@H+](C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000435880894 389965513 /nfs/dbraw/zinc/96/55/13/389965513.db2.gz RBFBARVJQDRLLF-NWDGAFQWSA-N 2 2 262.419 0.884 20 0 CCADLP C[NH2+]CCC[N@@H+](C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000435880894 389965514 /nfs/dbraw/zinc/96/55/14/389965514.db2.gz RBFBARVJQDRLLF-NWDGAFQWSA-N 2 2 262.419 0.884 20 0 CCADLP C[C@@H]1C[NH2+]CCN1c1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000420219577 389967384 /nfs/dbraw/zinc/96/73/84/389967384.db2.gz QTVVPRSGDCRKED-OLZOCXBDSA-N 2 2 291.399 0.626 20 0 CCADLP Cc1cnc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])o1 ZINC000436059880 389969621 /nfs/dbraw/zinc/96/96/21/389969621.db2.gz CHAHRVGANRJGOD-GFCCVEGCSA-N 2 2 280.372 0.803 20 0 CCADLP Cc1cnc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])o1 ZINC000436059880 389969624 /nfs/dbraw/zinc/96/96/24/389969624.db2.gz CHAHRVGANRJGOD-GFCCVEGCSA-N 2 2 280.372 0.803 20 0 CCADLP OC[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)[C@@H]1CCCO1 ZINC000447969937 389975686 /nfs/dbraw/zinc/97/56/86/389975686.db2.gz APGVLTSPKZVYDK-OLZOCXBDSA-N 2 2 261.325 0.964 20 0 CCADLP C[C@@H](O)[C@@H](CO)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000419794482 389915863 /nfs/dbraw/zinc/91/58/63/389915863.db2.gz GJTKILOPOKGWPM-BXKDBHETSA-N 2 2 267.354 0.765 20 0 CCADLP Cc1nc2[nH]ccc2c(NCC2CC[NH+](CCO)CC2)[nH+]1 ZINC000433797530 389919377 /nfs/dbraw/zinc/91/93/77/389919377.db2.gz XBYIUYOHBYOCOK-UHFFFAOYSA-N 2 2 289.383 0.804 20 0 CCADLP C[NH+](C)C1(CNC(=O)NCC[NH+]2CCOCC2)CCC1 ZINC000445555936 389924091 /nfs/dbraw/zinc/92/40/91/389924091.db2.gz DTYFYXCDPJDIEX-UHFFFAOYSA-N 2 2 284.404 0.102 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC2(N3CCOCC3)CC2)C1 ZINC000434781772 389945414 /nfs/dbraw/zinc/94/54/14/389945414.db2.gz DHJHFLVJNIPYPS-UONOGXRCSA-N 2 2 267.417 0.781 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC2(N3CCOCC3)CC2)C1 ZINC000434781772 389945416 /nfs/dbraw/zinc/94/54/16/389945416.db2.gz DHJHFLVJNIPYPS-UONOGXRCSA-N 2 2 267.417 0.781 20 0 CCADLP O=C(C[C@@H]1CSCC[NH2+]1)NCc1cn2c([nH+]1)CCCC2 ZINC000434864254 389948156 /nfs/dbraw/zinc/94/81/56/389948156.db2.gz HBMIXBBYZZJHBZ-LLVKDONJSA-N 2 2 294.424 0.931 20 0 CCADLP CC(C)[C@H]1C[N@H+](C)CCN1CCC(=O)N1CC[NH+](C)CC1 ZINC000436486738 389977987 /nfs/dbraw/zinc/97/79/87/389977987.db2.gz ROANBKNHQGFDRS-OAHLLOKOSA-N 2 2 296.459 0.423 20 0 CCADLP CC(C)[C@H]1C[N@@H+](C)CCN1CCC(=O)N1CC[NH+](C)CC1 ZINC000436486738 389977989 /nfs/dbraw/zinc/97/79/89/389977989.db2.gz ROANBKNHQGFDRS-OAHLLOKOSA-N 2 2 296.459 0.423 20 0 CCADLP COc1ccc([C@H](C[NH3+])C[N@H+](C)CC(=O)N(C)C)cc1 ZINC000420297738 389980147 /nfs/dbraw/zinc/98/01/47/389980147.db2.gz DJXSQVPQUXHLFO-CYBMUJFWSA-N 2 2 279.384 0.758 20 0 CCADLP COc1ccc([C@H](C[NH3+])C[N@@H+](C)CC(=O)N(C)C)cc1 ZINC000420297738 389980148 /nfs/dbraw/zinc/98/01/48/389980148.db2.gz DJXSQVPQUXHLFO-CYBMUJFWSA-N 2 2 279.384 0.758 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CC[C@H]2CCCCO2)C1 ZINC000420304072 389980949 /nfs/dbraw/zinc/98/09/49/389980949.db2.gz IMHOBQIKYNMXKZ-HUUCEWRRSA-N 2 2 295.427 0.842 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC000420304072 389980951 /nfs/dbraw/zinc/98/09/51/389980951.db2.gz IMHOBQIKYNMXKZ-HUUCEWRRSA-N 2 2 295.427 0.842 20 0 CCADLP CCC[C@H]1CNCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000420303975 389980983 /nfs/dbraw/zinc/98/09/83/389980983.db2.gz IEQSCNMCBFEMNV-AWEZNQCLSA-N 2 2 282.432 0.224 20 0 CCADLP CCC[C@H]1CNCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000420303975 389980986 /nfs/dbraw/zinc/98/09/86/389980986.db2.gz IEQSCNMCBFEMNV-AWEZNQCLSA-N 2 2 282.432 0.224 20 0 CCADLP O=C(CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)NC1CCCC1 ZINC000420334828 389985006 /nfs/dbraw/zinc/98/50/06/389985006.db2.gz GPGOESBQNUEWJF-YPMHNXCESA-N 2 2 251.374 0.729 20 0 CCADLP O=C(CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)NC1CCCC1 ZINC000420334828 389985008 /nfs/dbraw/zinc/98/50/08/389985008.db2.gz GPGOESBQNUEWJF-YPMHNXCESA-N 2 2 251.374 0.729 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH3+])[C@H]1CCN(c2ccccc2F)C1=O ZINC000420349982 389988562 /nfs/dbraw/zinc/98/85/62/389988562.db2.gz FLXYHIMSELHCMP-GWCFXTLKSA-N 2 2 281.331 0.182 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH3+])[C@H]1CCN(c2ccccc2F)C1=O ZINC000420349982 389988564 /nfs/dbraw/zinc/98/85/64/389988564.db2.gz FLXYHIMSELHCMP-GWCFXTLKSA-N 2 2 281.331 0.182 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NCC1CCC1 ZINC000420352120 389989801 /nfs/dbraw/zinc/98/98/01/389989801.db2.gz AODHWAKRPBSAMW-HNNXBMFYSA-N 2 2 265.401 0.978 20 0 CCADLP O=C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NCC1CCC1 ZINC000420352120 389989804 /nfs/dbraw/zinc/98/98/04/389989804.db2.gz AODHWAKRPBSAMW-HNNXBMFYSA-N 2 2 265.401 0.978 20 0 CCADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C[NH3+])cc1F ZINC000420355005 389990130 /nfs/dbraw/zinc/99/01/30/389990130.db2.gz PFJXDFWVLGOGBR-ZYHUDNBSSA-N 2 2 283.347 0.713 20 0 CCADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C[NH3+])cc1F ZINC000420355005 389990131 /nfs/dbraw/zinc/99/01/31/389990131.db2.gz PFJXDFWVLGOGBR-ZYHUDNBSSA-N 2 2 283.347 0.713 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000420355533 389990140 /nfs/dbraw/zinc/99/01/40/389990140.db2.gz BYZOYVNQYPDZDZ-IPYPFGDCSA-N 3 2 282.432 0.127 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCCC[NH+]1CCOCC1 ZINC000420355652 389990204 /nfs/dbraw/zinc/99/02/04/389990204.db2.gz CDNWYBRXATWPRJ-HZSPNIEDSA-N 2 2 255.406 0.685 20 0 CCADLP Cc1n[nH]c(C)c1C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449397222 389993175 /nfs/dbraw/zinc/99/31/75/389993175.db2.gz UQALXTXWLPGUQO-CYBMUJFWSA-N 2 2 266.389 0.963 20 0 CCADLP Cc1n[nH]c(C)c1C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449397222 389993178 /nfs/dbraw/zinc/99/31/78/389993178.db2.gz UQALXTXWLPGUQO-CYBMUJFWSA-N 2 2 266.389 0.963 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)N(C)CC(F)(F)F ZINC000420368690 389993370 /nfs/dbraw/zinc/99/33/70/389993370.db2.gz NWZXRABCAHANEY-KKZNHRDASA-N 2 2 281.322 0.983 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420367622 389993442 /nfs/dbraw/zinc/99/34/42/389993442.db2.gz MXFDZQWDCSYWCL-YIYPIFLZSA-N 2 2 285.432 0.894 20 0 CCADLP CCCCCNC(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420392104 389996100 /nfs/dbraw/zinc/99/61/00/389996100.db2.gz PHDZKRNLYUIRBA-GFCCVEGCSA-N 2 2 257.378 0.342 20 0 CCADLP CCCCCNC(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420392104 389996103 /nfs/dbraw/zinc/99/61/03/389996103.db2.gz PHDZKRNLYUIRBA-GFCCVEGCSA-N 2 2 257.378 0.342 20 0 CCADLP Cc1ccccc1CNC(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420391624 389996254 /nfs/dbraw/zinc/99/62/54/389996254.db2.gz OSPVSXWSUZNJDT-OAHLLOKOSA-N 2 2 291.395 0.661 20 0 CCADLP Cc1ccccc1CNC(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420391624 389996255 /nfs/dbraw/zinc/99/62/55/389996255.db2.gz OSPVSXWSUZNJDT-OAHLLOKOSA-N 2 2 291.395 0.661 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420406530 389998098 /nfs/dbraw/zinc/99/80/98/389998098.db2.gz UMPJGSUEVWZDOG-KGLIPLIRSA-N 2 2 283.416 0.603 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420406530 389998101 /nfs/dbraw/zinc/99/81/01/389998101.db2.gz UMPJGSUEVWZDOG-KGLIPLIRSA-N 2 2 283.416 0.603 20 0 CCADLP CC(C)N1CC[C@@H]([N@H+](C)CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000452115097 390006598 /nfs/dbraw/zinc/00/65/98/390006598.db2.gz KYGMGTRYOUFYMF-OAHLLOKOSA-N 2 2 296.459 0.565 20 0 CCADLP CC(C)N1CC[C@@H]([N@@H+](C)CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000452115097 390006601 /nfs/dbraw/zinc/00/66/01/390006601.db2.gz KYGMGTRYOUFYMF-OAHLLOKOSA-N 2 2 296.459 0.565 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)[C@@H]1CCCO1 ZINC000453258609 390009344 /nfs/dbraw/zinc/00/93/44/390009344.db2.gz HYUQFWSMDCSJNU-IHRRRGAJSA-N 2 2 256.390 0.990 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)[C@@H]1CCCO1 ZINC000453258609 390009346 /nfs/dbraw/zinc/00/93/46/390009346.db2.gz HYUQFWSMDCSJNU-IHRRRGAJSA-N 2 2 256.390 0.990 20 0 CCADLP CC[C@@H]1C(=O)N(CC)CC[N@H+]1CCc1c[nH+]cn1C ZINC000459431495 390074606 /nfs/dbraw/zinc/07/46/06/390074606.db2.gz RNWIMIRIQWMEHC-CYBMUJFWSA-N 2 2 264.373 0.905 20 0 CCADLP CC[C@@H]1C(=O)N(CC)CC[N@@H+]1CCc1c[nH+]cn1C ZINC000459431495 390074607 /nfs/dbraw/zinc/07/46/07/390074607.db2.gz RNWIMIRIQWMEHC-CYBMUJFWSA-N 2 2 264.373 0.905 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCCOCC[NH+](C)C ZINC000471657415 390078632 /nfs/dbraw/zinc/07/86/32/390078632.db2.gz HINSETRMLYSYQG-GFCCVEGCSA-N 2 2 283.376 0.149 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C/C=C/c1ccncc1 ZINC000487304656 390085493 /nfs/dbraw/zinc/08/54/93/390085493.db2.gz DMZHDUVFTIVJCY-BWPKMQGJSA-N 2 2 260.385 0.930 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CCO1 ZINC000487492845 390087674 /nfs/dbraw/zinc/08/76/74/390087674.db2.gz AKWVXGZQOHADQL-BFHYXJOUSA-N 2 2 283.416 0.411 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CCO1 ZINC000487492845 390087675 /nfs/dbraw/zinc/08/76/75/390087675.db2.gz AKWVXGZQOHADQL-BFHYXJOUSA-N 2 2 283.416 0.411 20 0 CCADLP CC[C@@H]1C[NH+](CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CCO1 ZINC000487492845 390087676 /nfs/dbraw/zinc/08/76/76/390087676.db2.gz AKWVXGZQOHADQL-BFHYXJOUSA-N 2 2 283.416 0.411 20 0 CCADLP CC[C@@H]1C[NH+](CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CCO1 ZINC000487492845 390087677 /nfs/dbraw/zinc/08/76/77/390087677.db2.gz AKWVXGZQOHADQL-BFHYXJOUSA-N 2 2 283.416 0.411 20 0 CCADLP CC(C)[C@@H]1CN(CCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000488031533 390091142 /nfs/dbraw/zinc/09/11/42/390091142.db2.gz LJOPFKXUVAPQLM-HNNXBMFYSA-N 2 2 269.433 0.981 20 0 CCADLP CC(C)[C@@H]1CN(CCC[NH+]2CCOCC2)CC[N@H+]1C ZINC000488031533 390091143 /nfs/dbraw/zinc/09/11/43/390091143.db2.gz LJOPFKXUVAPQLM-HNNXBMFYSA-N 2 2 269.433 0.981 20 0 CCADLP Cc1nc(NCCC[NH+]2CCCCC2)nc(N(C)C)[nH+]1 ZINC000489478813 390100523 /nfs/dbraw/zinc/10/05/23/390100523.db2.gz WXKREAQOPPRFGV-UHFFFAOYSA-N 2 2 278.404 0.956 20 0 CCADLP Cc1nc(N(C)C)nc(NCCC[NH+]2CCCCC2)[nH+]1 ZINC000489478813 390100524 /nfs/dbraw/zinc/10/05/24/390100524.db2.gz WXKREAQOPPRFGV-UHFFFAOYSA-N 2 2 278.404 0.956 20 0 CCADLP C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)CCn1cc[nH+]c1 ZINC000647832649 390185359 /nfs/dbraw/zinc/18/53/59/390185359.db2.gz CGIODFFTZUKLCO-NWDGAFQWSA-N 2 2 250.346 0.824 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000647835895 390186720 /nfs/dbraw/zinc/18/67/20/390186720.db2.gz UFIXAMCNMWPJSA-UHFFFAOYSA-N 2 2 279.388 0.082 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000647835895 390186722 /nfs/dbraw/zinc/18/67/22/390186722.db2.gz UFIXAMCNMWPJSA-UHFFFAOYSA-N 2 2 279.388 0.082 20 0 CCADLP CC(C)(O)C[NH+]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493845460 390128696 /nfs/dbraw/zinc/12/86/96/390128696.db2.gz AWVUGGISDLEKCV-ONEGZZNKSA-N 2 2 278.356 0.338 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534579612 390129706 /nfs/dbraw/zinc/12/97/06/390129706.db2.gz XTPANUBTEMPRCI-ZJUUUORDSA-N 2 2 279.344 0.054 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534579612 390129709 /nfs/dbraw/zinc/12/97/09/390129709.db2.gz XTPANUBTEMPRCI-ZJUUUORDSA-N 2 2 279.344 0.054 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535316596 390142470 /nfs/dbraw/zinc/14/24/70/390142470.db2.gz LRANKFMVLBEGFM-NSHDSACASA-N 2 2 286.401 0.149 20 0 CCADLP CCS(=O)(=O)NCC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535316596 390142475 /nfs/dbraw/zinc/14/24/75/390142475.db2.gz LRANKFMVLBEGFM-NSHDSACASA-N 2 2 286.401 0.149 20 0 CCADLP C[C@@H]1CC[N@@H+]([C@@H]2CC(=O)NC2=O)C[C@H]1n1cc[nH+]c1 ZINC000579123382 390144535 /nfs/dbraw/zinc/14/45/35/390144535.db2.gz MTNDVCJAZOJJDD-GMTAPVOTSA-N 2 2 262.313 0.181 20 0 CCADLP C[C@@H]1CC[N@H+]([C@@H]2CC(=O)NC2=O)C[C@H]1n1cc[nH+]c1 ZINC000579123382 390144538 /nfs/dbraw/zinc/14/45/38/390144538.db2.gz MTNDVCJAZOJJDD-GMTAPVOTSA-N 2 2 262.313 0.181 20 0 CCADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cn(C)nn3)C2)CC1 ZINC000535586389 390146430 /nfs/dbraw/zinc/14/64/30/390146430.db2.gz IFLIWHWUIKUVKR-OAHLLOKOSA-N 2 2 292.431 0.415 20 0 CCADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cn(C)nn3)C2)CC1 ZINC000535586389 390146433 /nfs/dbraw/zinc/14/64/33/390146433.db2.gz IFLIWHWUIKUVKR-OAHLLOKOSA-N 2 2 292.431 0.415 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000644153355 390149963 /nfs/dbraw/zinc/14/99/63/390149963.db2.gz MDWVDYLNLYWAIS-VIFPVBQESA-N 2 2 272.299 0.623 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)no1 ZINC000536068197 390156680 /nfs/dbraw/zinc/15/66/80/390156680.db2.gz WBLPTUPFSOOROZ-LLVKDONJSA-N 2 2 289.339 0.566 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)no1 ZINC000536068197 390156683 /nfs/dbraw/zinc/15/66/83/390156683.db2.gz WBLPTUPFSOOROZ-LLVKDONJSA-N 2 2 289.339 0.566 20 0 CCADLP CN(CCC[NH+](C)C)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000537215234 390175890 /nfs/dbraw/zinc/17/58/90/390175890.db2.gz VQNWKZCKOVFBEU-UHFFFAOYSA-N 2 2 288.355 0.686 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCc1ncn(C)n1 ZINC000647801268 390176625 /nfs/dbraw/zinc/17/66/25/390176625.db2.gz TVGSOISTHVJWJQ-VXGBXAGGSA-N 2 2 267.377 0.104 20 0 CCADLP CCn1nc2c(cc1=O)C[N@@H+](C[C@@H]1CC[NH2+]C1)CC2 ZINC000647891569 390209697 /nfs/dbraw/zinc/20/96/97/390209697.db2.gz SLHNOCIGTLCZMH-LLVKDONJSA-N 2 2 262.357 0.231 20 0 CCADLP CCn1nc2c(cc1=O)C[N@H+](C[C@@H]1CC[NH2+]C1)CC2 ZINC000647891569 390209698 /nfs/dbraw/zinc/20/96/98/390209698.db2.gz SLHNOCIGTLCZMH-LLVKDONJSA-N 2 2 262.357 0.231 20 0 CCADLP Cc1noc([C@H](C)[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)n1 ZINC000647909616 390214430 /nfs/dbraw/zinc/21/44/30/390214430.db2.gz JQJFRNKZZDYFCI-CMPLNLGQSA-N 2 2 293.371 0.335 20 0 CCADLP Cc1noc([C@H](C)[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)n1 ZINC000647909616 390214432 /nfs/dbraw/zinc/21/44/32/390214432.db2.gz JQJFRNKZZDYFCI-CMPLNLGQSA-N 2 2 293.371 0.335 20 0 CCADLP CC(C)(O)C[NH+]1CCC([NH2+]CCn2cc[nH+]c2)CC1 ZINC000647908780 390214916 /nfs/dbraw/zinc/21/49/16/390214916.db2.gz HOTMNCYKPICYBP-UHFFFAOYSA-N 3 2 266.389 0.708 20 0 CCADLP CN1CCN(C)[C@H](C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000647908981 390214945 /nfs/dbraw/zinc/21/49/45/390214945.db2.gz CPUQKFZELILEAC-OAHLLOKOSA-N 2 2 298.475 0.057 20 0 CCADLP Cc1cnc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000644454575 390220463 /nfs/dbraw/zinc/22/04/63/390220463.db2.gz TYOUPALSPCYADR-GFCCVEGCSA-N 2 2 292.383 0.881 20 0 CCADLP Cc1cnc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000644454575 390220467 /nfs/dbraw/zinc/22/04/67/390220467.db2.gz TYOUPALSPCYADR-GFCCVEGCSA-N 2 2 292.383 0.881 20 0 CCADLP Cc1[nH+]cc(CNC[C@@H]2CCC[N@@H+]2CCCO)n1C ZINC000580097226 390221562 /nfs/dbraw/zinc/22/15/62/390221562.db2.gz FGFJATKGSPXTNT-ZDUSSCGKSA-N 2 2 266.389 0.665 20 0 CCADLP Cc1[nH+]cc(CNC[C@@H]2CCC[N@H+]2CCCO)n1C ZINC000580097226 390221564 /nfs/dbraw/zinc/22/15/64/390221564.db2.gz FGFJATKGSPXTNT-ZDUSSCGKSA-N 2 2 266.389 0.665 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]Cc2ccoc2)C[C@@H](C)O1 ZINC000580184501 390226365 /nfs/dbraw/zinc/22/63/65/390226365.db2.gz FBCUERPCPJTSRA-YRGRVCCFSA-N 2 2 268.357 0.839 20 0 CCADLP C[C@H](CNC(=O)CC[C@H]1CCC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000494700831 390195003 /nfs/dbraw/zinc/19/50/03/390195003.db2.gz XMTRWBKIDHLEJD-ZIAGYGMSSA-N 2 2 282.432 0.271 20 0 CCADLP C[C@H](C(=O)N[C@@H](C)CCCC[NH3+])[NH+]1CCOCC1 ZINC000494712391 390196467 /nfs/dbraw/zinc/19/64/67/390196467.db2.gz VHHUZFDPDAXRET-NWDGAFQWSA-N 2 2 257.378 0.341 20 0 CCADLP Cn1ccnc1CN1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647988396 390240080 /nfs/dbraw/zinc/24/00/80/390240080.db2.gz DBGRMTNXSUOHMM-ZDUSSCGKSA-N 2 2 263.389 0.147 20 0 CCADLP Cc1nccc(N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)n1 ZINC000647989149 390240142 /nfs/dbraw/zinc/24/01/42/390240142.db2.gz PDUGUNRTHUHUPY-CYBMUJFWSA-N 2 2 261.373 0.517 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC000281763558 195370287 /nfs/dbraw/zinc/37/02/87/195370287.db2.gz ZYMKZDNVMAKILS-OLZOCXBDSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC000281763558 195370289 /nfs/dbraw/zinc/37/02/89/195370289.db2.gz ZYMKZDNVMAKILS-OLZOCXBDSA-N 2 2 294.399 0.266 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)C1(C(N)=O)CCCC1 ZINC000647968898 390233319 /nfs/dbraw/zinc/23/33/19/390233319.db2.gz AKHKDLXXEXUHMD-GFCCVEGCSA-N 2 2 271.405 0.417 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)C1(C(N)=O)CCCC1 ZINC000647968898 390233322 /nfs/dbraw/zinc/23/33/22/390233322.db2.gz AKHKDLXXEXUHMD-GFCCVEGCSA-N 2 2 271.405 0.417 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)C1(C(N)=O)CCCC1 ZINC000647968898 390233325 /nfs/dbraw/zinc/23/33/25/390233325.db2.gz AKHKDLXXEXUHMD-GFCCVEGCSA-N 2 2 271.405 0.417 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)C1(C(N)=O)CCCC1 ZINC000647968898 390233328 /nfs/dbraw/zinc/23/33/28/390233328.db2.gz AKHKDLXXEXUHMD-GFCCVEGCSA-N 2 2 271.405 0.417 20 0 CCADLP COc1cccc(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)n1 ZINC000644532899 390246898 /nfs/dbraw/zinc/24/68/98/390246898.db2.gz CPOIUDBCKFRATG-ZDUSSCGKSA-N 2 2 265.357 0.635 20 0 CCADLP COc1cccc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)n1 ZINC000644532899 390246901 /nfs/dbraw/zinc/24/69/01/390246901.db2.gz CPOIUDBCKFRATG-ZDUSSCGKSA-N 2 2 265.357 0.635 20 0 CCADLP O[C@H](C[NH2+][C@H]1CC[N@H+](CC2CC2)C1)Cn1cccn1 ZINC000644556879 390252321 /nfs/dbraw/zinc/25/23/21/390252321.db2.gz ULTUSOFXNIQLPX-UONOGXRCSA-N 2 2 264.373 0.318 20 0 CCADLP O[C@H](C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1)Cn1cccn1 ZINC000644556879 390252324 /nfs/dbraw/zinc/25/23/24/390252324.db2.gz ULTUSOFXNIQLPX-UONOGXRCSA-N 2 2 264.373 0.318 20 0 CCADLP c1cc2n(n1)C[C@@H](C[N@@H+]1CC[NH+]3CCC1CC3)CN2 ZINC000648034880 390257466 /nfs/dbraw/zinc/25/74/66/390257466.db2.gz JQOJRYSHMKKPKG-GFCCVEGCSA-N 2 2 261.373 0.705 20 0 CCADLP c1cc2n(n1)C[C@@H](C[N@H+]1CC[NH+]3CCC1CC3)CN2 ZINC000648034880 390257471 /nfs/dbraw/zinc/25/74/71/390257471.db2.gz JQOJRYSHMKKPKG-GFCCVEGCSA-N 2 2 261.373 0.705 20 0 CCADLP COCCOC[C@H](O)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000644589244 390261378 /nfs/dbraw/zinc/26/13/78/390261378.db2.gz KGYYDZMPGIVFOV-YUTCNCBUSA-N 2 2 272.389 0.083 20 0 CCADLP COCCOC[C@H](O)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000644589244 390261381 /nfs/dbraw/zinc/26/13/81/390261381.db2.gz KGYYDZMPGIVFOV-YUTCNCBUSA-N 2 2 272.389 0.083 20 0 CCADLP C[C@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)CC[C@@H]1[NH3+] ZINC000582181828 390267261 /nfs/dbraw/zinc/26/72/61/390267261.db2.gz SWKPDCGKQDLLCD-QWRGUYRKSA-N 2 2 260.403 0.480 20 0 CCADLP C[C@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)CC[C@@H]1[NH3+] ZINC000582181828 390267264 /nfs/dbraw/zinc/26/72/64/390267264.db2.gz SWKPDCGKQDLLCD-QWRGUYRKSA-N 2 2 260.403 0.480 20 0 CCADLP CCn1cc[nH+]c1CN1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000648064953 390268577 /nfs/dbraw/zinc/26/85/77/390268577.db2.gz POEVHAYBSIDCNH-GFCCVEGCSA-N 2 2 279.388 0.455 20 0 CCADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1cnccn1)CCO2 ZINC000648072219 390270814 /nfs/dbraw/zinc/27/08/14/390270814.db2.gz RMKJQMXRUSVZFH-UHFFFAOYSA-N 2 2 262.357 0.773 20 0 CCADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cnccn1)CCO2 ZINC000648072219 390270817 /nfs/dbraw/zinc/27/08/17/390270817.db2.gz RMKJQMXRUSVZFH-UHFFFAOYSA-N 2 2 262.357 0.773 20 0 CCADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1COCCOC1 ZINC000644652469 390277054 /nfs/dbraw/zinc/27/70/54/390277054.db2.gz POWQMZRCHGPEBG-MRXNPFEDSA-N 2 2 294.395 0.484 20 0 CCADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1COCCOC1 ZINC000644652469 390277056 /nfs/dbraw/zinc/27/70/56/390277056.db2.gz POWQMZRCHGPEBG-MRXNPFEDSA-N 2 2 294.395 0.484 20 0 CCADLP CC(C)n1cc([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cn1 ZINC000543503530 390283641 /nfs/dbraw/zinc/28/36/41/390283641.db2.gz CBFMSNKBOZGPCA-ZDUSSCGKSA-N 2 2 293.415 0.889 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)n1C ZINC000583452171 390286825 /nfs/dbraw/zinc/28/68/25/390286825.db2.gz VLXVSOBVSQANAR-DGCLKSJQSA-N 2 2 262.357 0.972 20 0 CCADLP CN1CCN(C)[C@H](c2noc(CCn3cc[nH+]c3)n2)C1 ZINC000547209330 390364560 /nfs/dbraw/zinc/36/45/60/390364560.db2.gz JQPOJDPQDJLIBI-NSHDSACASA-N 2 2 276.344 0.427 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1c1noc(CCn2cc[nH+]c2)n1 ZINC000547209330 390364564 /nfs/dbraw/zinc/36/45/64/390364564.db2.gz JQPOJDPQDJLIBI-NSHDSACASA-N 2 2 276.344 0.427 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1c1noc(CCn2cc[nH+]c2)n1 ZINC000547209330 390364570 /nfs/dbraw/zinc/36/45/70/390364570.db2.gz JQPOJDPQDJLIBI-NSHDSACASA-N 2 2 276.344 0.427 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[C@H]3C[NH+](C)C[C@@H]32)CCO1 ZINC000644734716 390299373 /nfs/dbraw/zinc/29/93/73/390299373.db2.gz OQIJHIKCUMDTKY-RDBSUJKOSA-N 2 2 253.390 0.343 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[C@H]3C[NH+](C)C[C@@H]32)CCO1 ZINC000644734716 390299377 /nfs/dbraw/zinc/29/93/77/390299377.db2.gz OQIJHIKCUMDTKY-RDBSUJKOSA-N 2 2 253.390 0.343 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[C@H]3C[N@H+](C)C[C@@H]32)CCO1 ZINC000644734716 390299381 /nfs/dbraw/zinc/29/93/81/390299381.db2.gz OQIJHIKCUMDTKY-RDBSUJKOSA-N 2 2 253.390 0.343 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[C@H]3C[N@@H+](C)C[C@@H]32)CCO1 ZINC000644734716 390299383 /nfs/dbraw/zinc/29/93/83/390299383.db2.gz OQIJHIKCUMDTKY-RDBSUJKOSA-N 2 2 253.390 0.343 20 0 CCADLP C[C@@H](C(=O)N1CCC[C@@H](CC[NH3+])C1)[NH+]1CCN(C)CC1 ZINC000648130074 390300062 /nfs/dbraw/zinc/30/00/62/390300062.db2.gz HHUWYRAJXZLQBF-KBPBESRZSA-N 2 2 282.432 0.210 20 0 CCADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCN2CCCC2=O)CC1 ZINC000583910184 390322672 /nfs/dbraw/zinc/32/26/72/390322672.db2.gz ZPISDIONMLEFPY-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCN2CCCC2=O)CC1 ZINC000583910184 390322676 /nfs/dbraw/zinc/32/26/76/390322676.db2.gz ZPISDIONMLEFPY-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC000644826309 390326996 /nfs/dbraw/zinc/32/69/96/390326996.db2.gz NDCKRAZFAOFZIR-MELADBBJSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC000644826309 390326999 /nfs/dbraw/zinc/32/69/99/390326999.db2.gz NDCKRAZFAOFZIR-MELADBBJSA-N 2 2 288.395 0.998 20 0 CCADLP CC1=CC[N@H+](CCNC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000545836266 390332063 /nfs/dbraw/zinc/33/20/63/390332063.db2.gz KDXXOYXJBPFFAJ-UHFFFAOYSA-N 2 2 296.415 0.270 20 0 CCADLP CC(C)[NH2+]C1CC[NH+](C[C@@H]2CN(C)C(=O)O2)CC1 ZINC000496331660 390342095 /nfs/dbraw/zinc/34/20/95/390342095.db2.gz RTOYROFIZCBDNE-LBPRGKRZSA-N 2 2 255.362 0.899 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@H](CN2CCOC2=O)C1)C1CC1 ZINC000497070108 390412840 /nfs/dbraw/zinc/41/28/40/390412840.db2.gz HCRJDEXGKDNXPD-JSGCOSHPSA-N 2 2 297.399 0.216 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H](CN2CCOC2=O)C1)C1CC1 ZINC000497070108 390412842 /nfs/dbraw/zinc/41/28/42/390412842.db2.gz HCRJDEXGKDNXPD-JSGCOSHPSA-N 2 2 297.399 0.216 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H](CN2CCOC2=O)C1)C1CC1 ZINC000497070108 390412845 /nfs/dbraw/zinc/41/28/45/390412845.db2.gz HCRJDEXGKDNXPD-JSGCOSHPSA-N 2 2 297.399 0.216 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@H](CN2CCOC2=O)C1)C1CC1 ZINC000497070108 390412850 /nfs/dbraw/zinc/41/28/50/390412850.db2.gz HCRJDEXGKDNXPD-JSGCOSHPSA-N 2 2 297.399 0.216 20 0 CCADLP Cc1nc(N)c(CNC(=O)CC2CC[NH+](C)CC2)c[nH+]1 ZINC000648902111 390439944 /nfs/dbraw/zinc/43/99/44/390439944.db2.gz UACFUPYMEBVCSI-UHFFFAOYSA-N 2 2 277.372 0.546 20 0 CCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000547675103 390389916 /nfs/dbraw/zinc/38/99/16/390389916.db2.gz GJSVYJSCDFPFDN-CHWSQXEVSA-N 2 2 291.399 0.934 20 0 CCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000547675103 390389917 /nfs/dbraw/zinc/38/99/17/390389917.db2.gz GJSVYJSCDFPFDN-CHWSQXEVSA-N 2 2 291.399 0.934 20 0 CCADLP CC1(C)C[NH2+][C@H]1C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000645246201 390396163 /nfs/dbraw/zinc/39/61/63/390396163.db2.gz DFIWXFHJIFAELS-AWEZNQCLSA-N 2 2 288.395 0.724 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](CC2=CCCC2)CC1 ZINC000645775944 390492917 /nfs/dbraw/zinc/49/29/17/390492917.db2.gz JPTLLEHPPXDXFX-UHFFFAOYSA-N 2 2 251.374 0.803 20 0 CCADLP C[C@H](CCCO)C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000519400700 390498935 /nfs/dbraw/zinc/49/89/35/390498935.db2.gz MUFVHYDCARLYKA-APIJFGDWSA-N 2 2 288.432 0.455 20 0 CCADLP C[C@H](CCCO)C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000519400700 390498939 /nfs/dbraw/zinc/49/89/39/390498939.db2.gz MUFVHYDCARLYKA-APIJFGDWSA-N 2 2 288.432 0.455 20 0 CCADLP CC(C)OCC[C@@H](O)C[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000519400890 390499102 /nfs/dbraw/zinc/49/91/02/390499102.db2.gz VMJBVRUOXHIFSM-LSDHHAIUSA-N 2 2 288.432 0.599 20 0 CCADLP CC(C)OCC[C@@H](O)C[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000519400890 390499104 /nfs/dbraw/zinc/49/91/04/390499104.db2.gz VMJBVRUOXHIFSM-LSDHHAIUSA-N 2 2 288.432 0.599 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3([NH3+])CCC3)CC2)CC1 ZINC000645812137 390501977 /nfs/dbraw/zinc/50/19/77/390501977.db2.gz OUTBKUJRGBNXBJ-UHFFFAOYSA-N 3 2 294.443 0.543 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000565315334 390502310 /nfs/dbraw/zinc/50/23/10/390502310.db2.gz UFHAVWRNDFYTKR-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000565315334 390502315 /nfs/dbraw/zinc/50/23/15/390502315.db2.gz UFHAVWRNDFYTKR-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H](CO)C(C)(C)C)C[C@H](C)O1 ZINC000555976363 390471929 /nfs/dbraw/zinc/47/19/29/390471929.db2.gz QRJGPQIOFGKATF-RQJABVFESA-N 2 2 288.432 0.453 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H](CO)C(C)(C)C)C[C@H](C)O1 ZINC000555976363 390471931 /nfs/dbraw/zinc/47/19/31/390471931.db2.gz QRJGPQIOFGKATF-RQJABVFESA-N 2 2 288.432 0.453 20 0 CCADLP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)CO2 ZINC000515346517 390474038 /nfs/dbraw/zinc/47/40/38/390474038.db2.gz HPQWSCRQKPJHII-JSGCOSHPSA-N 2 2 278.352 0.577 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1C[C@H]2CCCCN2C1=O)C1CC1 ZINC000516276921 390481282 /nfs/dbraw/zinc/48/12/82/390481282.db2.gz QLDCXLGEJSXHAH-MGPQQGTHSA-N 2 2 281.400 0.185 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1C[C@H]2CCCCN2C1=O)C1CC1 ZINC000516276921 390481283 /nfs/dbraw/zinc/48/12/83/390481283.db2.gz QLDCXLGEJSXHAH-MGPQQGTHSA-N 2 2 281.400 0.185 20 0 CCADLP O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@H]1CCc2c[nH+]cn2C1 ZINC000649220431 390527531 /nfs/dbraw/zinc/52/75/31/390527531.db2.gz YNWMQSXVOCCMOR-RYUDHWBXSA-N 2 2 285.351 0.773 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccncc1)C1CC1 ZINC000565607278 390528598 /nfs/dbraw/zinc/52/85/98/390528598.db2.gz ORZMEEGDJHCSBS-MRXNPFEDSA-N 2 2 293.411 0.985 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](Cc1ccncc1)C1CC1 ZINC000565607278 390528601 /nfs/dbraw/zinc/52/86/01/390528601.db2.gz ORZMEEGDJHCSBS-MRXNPFEDSA-N 2 2 293.411 0.985 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccncc1)C1CC1 ZINC000565607278 390528603 /nfs/dbraw/zinc/52/86/03/390528603.db2.gz ORZMEEGDJHCSBS-MRXNPFEDSA-N 2 2 293.411 0.985 20 0 CCADLP Cc1[nH]c(CNC[C@H]2CCC[N@@H+]2CCCO)[nH+]c1C ZINC000565610353 390529376 /nfs/dbraw/zinc/52/93/76/390529376.db2.gz RMWQENXMVBHXGH-CYBMUJFWSA-N 2 2 266.389 0.963 20 0 CCADLP Cc1[nH]c(CNC[C@H]2CCC[N@H+]2CCCO)[nH+]c1C ZINC000565610353 390529380 /nfs/dbraw/zinc/52/93/80/390529380.db2.gz RMWQENXMVBHXGH-CYBMUJFWSA-N 2 2 266.389 0.963 20 0 CCADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000649224673 390529462 /nfs/dbraw/zinc/52/94/62/390529462.db2.gz DOVSMBCKCFLTQZ-OBJOEFQTSA-N 2 2 274.368 0.608 20 0 CCADLP Cn1cc(C[NH+]2CCN(C(=O)CC(C)(C)[NH3+])CC2)cn1 ZINC000645944353 390542180 /nfs/dbraw/zinc/54/21/80/390542180.db2.gz KIYGFPXFBIEOGD-UHFFFAOYSA-N 2 2 279.388 0.192 20 0 CCADLP CC1(C)C[NH2+][C@@H]1C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000649333402 390590307 /nfs/dbraw/zinc/59/03/07/390590307.db2.gz RKAVWADLJQUCCX-BFHYXJOUSA-N 2 2 295.427 0.744 20 0 CCADLP CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645977475 390555696 /nfs/dbraw/zinc/55/56/96/390555696.db2.gz BBEUPDNGWCPDAL-DGCLKSJQSA-N 3 2 268.405 0.008 20 0 CCADLP CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645977475 390555699 /nfs/dbraw/zinc/55/56/99/390555699.db2.gz BBEUPDNGWCPDAL-DGCLKSJQSA-N 3 2 268.405 0.008 20 0 CCADLP COC[C@]1(C(=O)Nc2ccc3[nH+]ccn3c2)CC[NH2+]C1 ZINC000645975665 390555970 /nfs/dbraw/zinc/55/59/70/390555970.db2.gz QWYNWHCEXKDMOI-AWEZNQCLSA-N 2 2 274.324 0.899 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649299738 390559973 /nfs/dbraw/zinc/55/99/73/390559973.db2.gz QKUHFADHCIAZJB-UWVGGRQHSA-N 2 2 272.299 0.633 20 0 CCADLP O=C([C@H]1CCC[NH2+]1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000649303527 390562883 /nfs/dbraw/zinc/56/28/83/390562883.db2.gz DWJNOBHRPAICIH-CHWSQXEVSA-N 2 2 267.373 0.062 20 0 CCADLP O=C(C[C@@H]1COCC[NH2+]1)NCC[NH+]1Cc2ccccc2C1 ZINC000649306105 390567212 /nfs/dbraw/zinc/56/72/12/390567212.db2.gz AKWSGZGWYPGKQS-OAHLLOKOSA-N 2 2 289.379 0.497 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC2(C)CCOCC2)[C@@H](C[NH3+])C1 ZINC000566058023 390570823 /nfs/dbraw/zinc/57/08/23/390570823.db2.gz QIBFOGKHXJDREV-LBPRGKRZSA-N 2 2 284.404 0.087 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC2(C)CCOCC2)[C@@H](C[NH3+])C1 ZINC000566058023 390570826 /nfs/dbraw/zinc/57/08/26/390570826.db2.gz QIBFOGKHXJDREV-LBPRGKRZSA-N 2 2 284.404 0.087 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000646020651 390572667 /nfs/dbraw/zinc/57/26/67/390572667.db2.gz VRUMLNMKKAMUSG-UHFFFAOYSA-N 2 2 262.357 0.517 20 0 CCADLP Cn1c[nH+]cc1CN1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000520412832 390573401 /nfs/dbraw/zinc/57/34/01/390573401.db2.gz BROJZDBHUAOICO-UHFFFAOYSA-N 2 2 278.400 0.747 20 0 CCADLP COCC[NH2+]C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000522004431 390620240 /nfs/dbraw/zinc/62/02/40/390620240.db2.gz OTQHDANMHKMOMC-ZDUSSCGKSA-N 3 2 255.406 0.686 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC2 ZINC000646214423 390637285 /nfs/dbraw/zinc/63/72/85/390637285.db2.gz CDCMPXVIUJHTKE-NXEZZACHSA-N 2 2 265.361 0.843 20 0 CCADLP C[C@@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])CC(F)F ZINC000646219149 390639634 /nfs/dbraw/zinc/63/96/34/390639634.db2.gz CRSXUKMVDUHHRF-NXEZZACHSA-N 2 2 278.347 0.562 20 0 CCADLP C[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])CC(F)F ZINC000646219149 390639636 /nfs/dbraw/zinc/63/96/36/390639636.db2.gz CRSXUKMVDUHHRF-NXEZZACHSA-N 2 2 278.347 0.562 20 0 CCADLP O=C(C[C@@H]1CC[NH2+]C1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000646264973 390653450 /nfs/dbraw/zinc/65/34/50/390653450.db2.gz HAJZIBWZZNKCMC-STQMWFEESA-N 2 2 274.368 0.776 20 0 CCADLP O=C(C[C@@H]1C[NH2+]CCO1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000646265400 390653798 /nfs/dbraw/zinc/65/37/98/390653798.db2.gz VVZHIXNXZFQABL-QWHCGFSZSA-N 2 2 290.367 0.155 20 0 CCADLP CC(C)(C(=O)Nc1ccc2[nH+]ccn2c1)N1CC[NH2+]CC1 ZINC000521039002 390593370 /nfs/dbraw/zinc/59/33/70/390593370.db2.gz YCXQTFVQTUPVAJ-UHFFFAOYSA-N 2 2 287.367 0.957 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](OC(F)F)C1 ZINC000571414495 390734486 /nfs/dbraw/zinc/73/44/86/390734486.db2.gz QAKQESQJPLPNIR-ZJUUUORDSA-N 2 2 252.305 0.613 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](OC(F)F)C1 ZINC000571414495 390734487 /nfs/dbraw/zinc/73/44/87/390734487.db2.gz QAKQESQJPLPNIR-ZJUUUORDSA-N 2 2 252.305 0.613 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000571414495 390734488 /nfs/dbraw/zinc/73/44/88/390734488.db2.gz QAKQESQJPLPNIR-ZJUUUORDSA-N 2 2 252.305 0.613 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000571414495 390734489 /nfs/dbraw/zinc/73/44/89/390734489.db2.gz QAKQESQJPLPNIR-ZJUUUORDSA-N 2 2 252.305 0.613 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCCc2ccccn2)[C@H](C[NH3+])C1 ZINC000570815266 390719493 /nfs/dbraw/zinc/71/94/93/390719493.db2.gz JYHCCPDUVGREFS-CQSZACIVSA-N 2 2 291.399 0.299 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCCc2ccccn2)[C@H](C[NH3+])C1 ZINC000570815266 390719495 /nfs/dbraw/zinc/71/94/95/390719495.db2.gz JYHCCPDUVGREFS-CQSZACIVSA-N 2 2 291.399 0.299 20 0 CCADLP C[C@H](NC(=O)CC(C)(C)C)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000646835526 390726137 /nfs/dbraw/zinc/72/61/37/390726137.db2.gz XVAUADSBLHPGBU-RYUDHWBXSA-N 2 2 298.431 0.029 20 0 CCADLP C[C@H](NC(=O)CC(C)(C)C)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000646835526 390726138 /nfs/dbraw/zinc/72/61/38/390726138.db2.gz XVAUADSBLHPGBU-RYUDHWBXSA-N 2 2 298.431 0.029 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](OCC(C)C)C1 ZINC000567058467 390669312 /nfs/dbraw/zinc/66/93/12/390669312.db2.gz RXEISQGRAFUFFI-GJZGRUSLSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](OCC(C)C)C1 ZINC000567058467 390669314 /nfs/dbraw/zinc/66/93/14/390669314.db2.gz RXEISQGRAFUFFI-GJZGRUSLSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC000567058467 390669318 /nfs/dbraw/zinc/66/93/18/390669318.db2.gz RXEISQGRAFUFFI-GJZGRUSLSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000567058467 390669321 /nfs/dbraw/zinc/66/93/21/390669321.db2.gz RXEISQGRAFUFFI-GJZGRUSLSA-N 2 2 288.432 0.672 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000567159424 390675317 /nfs/dbraw/zinc/67/53/17/390675317.db2.gz ZBYJUEFXJSYCBR-KBUPBQIOSA-N 2 2 297.443 0.990 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000567246813 390683281 /nfs/dbraw/zinc/68/32/81/390683281.db2.gz WHARXICELAJLKW-UONOGXRCSA-N 2 2 299.459 0.926 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000567246813 390683285 /nfs/dbraw/zinc/68/32/85/390683285.db2.gz WHARXICELAJLKW-UONOGXRCSA-N 2 2 299.459 0.926 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000567246813 390683288 /nfs/dbraw/zinc/68/32/88/390683288.db2.gz WHARXICELAJLKW-UONOGXRCSA-N 2 2 299.459 0.926 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000567246813 390683290 /nfs/dbraw/zinc/68/32/90/390683290.db2.gz WHARXICELAJLKW-UONOGXRCSA-N 2 2 299.459 0.926 20 0 CCADLP O=C(NCCNc1cc[nH+]cc1)[C@H]1CCc2c[nH+]cn2C1 ZINC000567355891 390694491 /nfs/dbraw/zinc/69/44/91/390694491.db2.gz UDUFEKFBSYYTGF-LBPRGKRZSA-N 2 2 285.351 0.491 20 0 CCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCCn1cc[nH+]c1 ZINC000567487854 390701152 /nfs/dbraw/zinc/70/11/52/390701152.db2.gz IKPXAOAZGFGKGU-LBPRGKRZSA-N 2 2 265.361 0.619 20 0 CCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCCn1cc[nH+]c1 ZINC000567487854 390701154 /nfs/dbraw/zinc/70/11/54/390701154.db2.gz IKPXAOAZGFGKGU-LBPRGKRZSA-N 2 2 265.361 0.619 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000572827062 390805132 /nfs/dbraw/zinc/80/51/32/390805132.db2.gz RXLNEASDISWKKV-CQSZACIVSA-N 2 2 296.459 0.565 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000572827062 390805133 /nfs/dbraw/zinc/80/51/33/390805133.db2.gz RXLNEASDISWKKV-CQSZACIVSA-N 2 2 296.459 0.565 20 0 CCADLP O[C@@H](C[NH+]1CCC([NH+]2CCOCC2)CC1)CC1(O)CCC1 ZINC000528556620 390757688 /nfs/dbraw/zinc/75/76/88/390757688.db2.gz WKFJSEOYIZCSJN-OAHLLOKOSA-N 2 2 298.427 0.449 20 0 CCADLP C[C@H](O)CNc1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)nc[nH+]1 ZINC000572006111 390763209 /nfs/dbraw/zinc/76/32/09/390763209.db2.gz DLAQSDWESJTZFS-NWDGAFQWSA-N 2 2 291.399 0.587 20 0 CCADLP C[C@H](O)CNc1cc(NC[C@H]2CC[N@H+](C3CC3)C2)nc[nH+]1 ZINC000572006111 390763212 /nfs/dbraw/zinc/76/32/12/390763212.db2.gz DLAQSDWESJTZFS-NWDGAFQWSA-N 2 2 291.399 0.587 20 0 CCADLP C[C@H](O)CNc1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)[nH+]cn1 ZINC000572006111 390763214 /nfs/dbraw/zinc/76/32/14/390763214.db2.gz DLAQSDWESJTZFS-NWDGAFQWSA-N 2 2 291.399 0.587 20 0 CCADLP C[C@H](O)CNc1cc(NC[C@H]2CC[N@H+](C3CC3)C2)[nH+]cn1 ZINC000572006111 390763217 /nfs/dbraw/zinc/76/32/17/390763217.db2.gz DLAQSDWESJTZFS-NWDGAFQWSA-N 2 2 291.399 0.587 20 0 CCADLP COC(=O)c1coc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000572841914 390806047 /nfs/dbraw/zinc/80/60/47/390806047.db2.gz IHAMTHAGSRSGJP-NSHDSACASA-N 2 2 267.329 0.141 20 0 CCADLP COC(=O)c1coc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000572841914 390806049 /nfs/dbraw/zinc/80/60/49/390806049.db2.gz IHAMTHAGSRSGJP-NSHDSACASA-N 2 2 267.329 0.141 20 0 CCADLP CC(C)COC[C@H](O)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000572276808 390776153 /nfs/dbraw/zinc/77/61/53/390776153.db2.gz KJUFTHXNYMCYCB-CHWSQXEVSA-N 2 2 267.373 0.821 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CC[NH+](CC3CC3)CC2)c1 ZINC000572484465 390785653 /nfs/dbraw/zinc/78/56/53/390785653.db2.gz FMLWCIJYLSKUGN-UHFFFAOYSA-N 2 2 291.399 0.700 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@@H](C)C[C@@H](C)[NH3+])CCO1 ZINC000572719264 390798998 /nfs/dbraw/zinc/79/89/98/390798998.db2.gz RKBJFNWOKWWOTK-FRRDWIJNSA-N 2 2 286.420 0.522 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@@H](C)C[C@@H](C)[NH3+])CCO1 ZINC000572719264 390799000 /nfs/dbraw/zinc/79/90/00/390799000.db2.gz RKBJFNWOKWWOTK-FRRDWIJNSA-N 2 2 286.420 0.522 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCO[C@H](C(C)(C)C)C1 ZINC000572732186 390800037 /nfs/dbraw/zinc/80/00/37/390800037.db2.gz YUFDZNQCMBDNFY-KGLIPLIRSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCO[C@H](C(C)(C)C)C1 ZINC000572732186 390800039 /nfs/dbraw/zinc/80/00/39/390800039.db2.gz YUFDZNQCMBDNFY-KGLIPLIRSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000572732186 390800042 /nfs/dbraw/zinc/80/00/42/390800042.db2.gz YUFDZNQCMBDNFY-KGLIPLIRSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000572732186 390800045 /nfs/dbraw/zinc/80/00/45/390800045.db2.gz YUFDZNQCMBDNFY-KGLIPLIRSA-N 2 2 288.432 0.672 20 0 CCADLP C[C@@H](C[NH2+][C@@H](C)C(C)(C)C[NH+](C)C)S(C)(=O)=O ZINC000571515745 390738333 /nfs/dbraw/zinc/73/83/33/390738333.db2.gz AIBLTJBEIKNQAQ-QWRGUYRKSA-N 2 2 264.435 0.985 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000646918366 390741184 /nfs/dbraw/zinc/74/11/84/390741184.db2.gz TVVMOGQYCUZCRG-YPMHNXCESA-N 2 2 262.357 0.515 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000646918366 390741185 /nfs/dbraw/zinc/74/11/85/390741185.db2.gz TVVMOGQYCUZCRG-YPMHNXCESA-N 2 2 262.357 0.515 20 0 CCADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)[C@H](C)O)nc[nH+]1 ZINC000578019551 390859779 /nfs/dbraw/zinc/85/97/79/390859779.db2.gz KDKGLIFAAZDZQI-GRYCIOLGSA-N 2 2 279.388 0.846 20 0 CCADLP CC(C)OC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000578064255 390861821 /nfs/dbraw/zinc/86/18/21/390861821.db2.gz ZYRIEUGRRDQWNM-YRGRVCCFSA-N 2 2 256.390 0.987 20 0 CCADLP CC(C)OC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000578064255 390861824 /nfs/dbraw/zinc/86/18/24/390861824.db2.gz ZYRIEUGRRDQWNM-YRGRVCCFSA-N 2 2 256.390 0.987 20 0 CCADLP Cc1nc(NC[C@@H]2CC[N@@H+](C(C)C)C2)nc(N(C)C)[nH+]1 ZINC000532626466 390881867 /nfs/dbraw/zinc/88/18/67/390881867.db2.gz ZLJOXHPTBXJGLB-LBPRGKRZSA-N 2 2 278.404 0.810 20 0 CCADLP Cc1nc(NC[C@@H]2CC[N@H+](C(C)C)C2)nc(N(C)C)[nH+]1 ZINC000532626466 390881869 /nfs/dbraw/zinc/88/18/69/390881869.db2.gz ZLJOXHPTBXJGLB-LBPRGKRZSA-N 2 2 278.404 0.810 20 0 CCADLP Cc1nc(N(C)C)nc(NC[C@@H]2CC[N@@H+](C(C)C)C2)[nH+]1 ZINC000532626466 390881871 /nfs/dbraw/zinc/88/18/71/390881871.db2.gz ZLJOXHPTBXJGLB-LBPRGKRZSA-N 2 2 278.404 0.810 20 0 CCADLP Cc1nc(N(C)C)nc(NC[C@@H]2CC[N@H+](C(C)C)C2)[nH+]1 ZINC000532626466 390881873 /nfs/dbraw/zinc/88/18/73/390881873.db2.gz ZLJOXHPTBXJGLB-LBPRGKRZSA-N 2 2 278.404 0.810 20 0 CCADLP COC(=O)[C@H]1CN(CCCc2c[nH+]cn2C)CC[N@H+](C)C1 ZINC000578245624 390873864 /nfs/dbraw/zinc/87/38/64/390873864.db2.gz UOJXRCVHLDSKTM-CYBMUJFWSA-N 2 2 294.399 0.389 20 0 CCADLP COC(=O)[C@H]1CN(CCCc2c[nH+]cn2C)CC[N@@H+](C)C1 ZINC000578245624 390873866 /nfs/dbraw/zinc/87/38/66/390873866.db2.gz UOJXRCVHLDSKTM-CYBMUJFWSA-N 2 2 294.399 0.389 20 0 CCADLP COC(=O)[C@@H]1CN(C)CC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000578245624 390873868 /nfs/dbraw/zinc/87/38/68/390873868.db2.gz UOJXRCVHLDSKTM-CYBMUJFWSA-N 2 2 294.399 0.389 20 0 CCADLP COC(=O)[C@@H]1CN(C)CC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000578245624 390873871 /nfs/dbraw/zinc/87/38/71/390873871.db2.gz UOJXRCVHLDSKTM-CYBMUJFWSA-N 2 2 294.399 0.389 20 0 CCADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cc2n(n1)CCCC2 ZINC000647300239 390809568 /nfs/dbraw/zinc/80/95/68/390809568.db2.gz ZSGOPERPGBMKBU-WFASDCNBSA-N 2 2 278.400 0.937 20 0 CCADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cc2n(n1)CCCC2 ZINC000647300239 390809572 /nfs/dbraw/zinc/80/95/72/390809572.db2.gz ZSGOPERPGBMKBU-WFASDCNBSA-N 2 2 278.400 0.937 20 0 CCADLP C[C@H](C(=O)NCC[N@@H+]1CCOCC1(C)C)[NH+]1CC(C)C1 ZINC000572973020 390815343 /nfs/dbraw/zinc/81/53/43/390815343.db2.gz KXYVOZLWJQCTEI-CYBMUJFWSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H](C(=O)NCC[N@H+]1CCOCC1(C)C)[NH+]1CC(C)C1 ZINC000572973020 390815346 /nfs/dbraw/zinc/81/53/46/390815346.db2.gz KXYVOZLWJQCTEI-CYBMUJFWSA-N 2 2 283.416 0.554 20 0 CCADLP C[N@@H+]1CCN(c2ncnc3c(F)cccc32)[C@H](C[NH3+])C1 ZINC000572978073 390815539 /nfs/dbraw/zinc/81/55/39/390815539.db2.gz CXAYUNUMBWVSLM-SNVBAGLBSA-N 2 2 275.331 0.848 20 0 CCADLP C[N@H+]1CCN(c2ncnc3c(F)cccc32)[C@H](C[NH3+])C1 ZINC000572978073 390815543 /nfs/dbraw/zinc/81/55/43/390815543.db2.gz CXAYUNUMBWVSLM-SNVBAGLBSA-N 2 2 275.331 0.848 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000574916890 390825488 /nfs/dbraw/zinc/82/54/88/390825488.db2.gz KGDYTMYEWAIENJ-CHWSQXEVSA-N 2 2 286.347 0.078 20 0 CCADLP C[C@]1(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)CC[NH2+]C1 ZINC000647518115 390830005 /nfs/dbraw/zinc/83/00/05/390830005.db2.gz FOOCYKFJNSLHHA-IHRRRGAJSA-N 2 2 254.374 0.866 20 0 CCADLP C[C@]1(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)CC[NH2+]C1 ZINC000647518115 390830007 /nfs/dbraw/zinc/83/00/07/390830007.db2.gz FOOCYKFJNSLHHA-IHRRRGAJSA-N 2 2 254.374 0.866 20 0 CCADLP Cc1[nH]nc2ncc(CN3CC[N@@H+](C)C[C@H]3C[NH3+])cc12 ZINC000647539333 390837458 /nfs/dbraw/zinc/83/74/58/390837458.db2.gz SOUXNHGVBABWPB-GFCCVEGCSA-N 2 2 274.372 0.341 20 0 CCADLP Cc1[nH]nc2ncc(CN3CC[N@H+](C)C[C@H]3C[NH3+])cc12 ZINC000647539333 390837461 /nfs/dbraw/zinc/83/74/61/390837461.db2.gz SOUXNHGVBABWPB-GFCCVEGCSA-N 2 2 274.372 0.341 20 0 CCADLP COc1c(N)[nH+]cnc1NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000577887308 390852273 /nfs/dbraw/zinc/85/22/73/390852273.db2.gz MVHWQAFKLQAANS-NSHDSACASA-N 2 2 279.388 0.879 20 0 CCADLP COc1c(N)[nH+]cnc1NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000577887308 390852275 /nfs/dbraw/zinc/85/22/75/390852275.db2.gz MVHWQAFKLQAANS-NSHDSACASA-N 2 2 279.388 0.879 20 0 CCADLP COc1c(N)nc[nH+]c1NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000577887308 390852277 /nfs/dbraw/zinc/85/22/77/390852277.db2.gz MVHWQAFKLQAANS-NSHDSACASA-N 2 2 279.388 0.879 20 0 CCADLP COc1c(N)nc[nH+]c1NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000577887308 390852278 /nfs/dbraw/zinc/85/22/78/390852278.db2.gz MVHWQAFKLQAANS-NSHDSACASA-N 2 2 279.388 0.879 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000578451905 390884808 /nfs/dbraw/zinc/88/48/08/390884808.db2.gz SLJDAOGUTHLIDN-LLVKDONJSA-N 2 2 250.346 0.730 20 0 CCADLP O=C1NCC[C@@H]1[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534123511 390888691 /nfs/dbraw/zinc/88/86/91/390888691.db2.gz CCJBSMZVRVOMLN-LBPRGKRZSA-N 2 2 260.341 0.846 20 0 CCADLP CC(C)OC[C@H](O)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000578640261 390895738 /nfs/dbraw/zinc/89/57/38/390895738.db2.gz REPQFIRXKGNKSB-MRVWCRGKSA-N 2 2 256.390 0.845 20 0 CCADLP CC(C)OC[C@H](O)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000578640261 390895740 /nfs/dbraw/zinc/89/57/40/390895740.db2.gz REPQFIRXKGNKSB-MRVWCRGKSA-N 2 2 256.390 0.845 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC000528518419 285411523 /nfs/dbraw/zinc/41/15/23/285411523.db2.gz KZOXPSZPEOXZCE-UHFFFAOYSA-N 2 2 280.372 0.372 20 0 CCADLP COC(=O)[C@H]1CSCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000412082114 533507587 /nfs/dbraw/zinc/50/75/87/533507587.db2.gz RHQFUYPYECYZOO-LLVKDONJSA-N 2 2 269.370 0.721 20 0 CCADLP COC(=O)[C@H]1CSCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000412082114 533507591 /nfs/dbraw/zinc/50/75/91/533507591.db2.gz RHQFUYPYECYZOO-LLVKDONJSA-N 2 2 269.370 0.721 20 0 CCADLP COc1cccc(OCC[NH+]2CCN(C(=O)C[NH3+])CC2)c1 ZINC000423806811 533661042 /nfs/dbraw/zinc/66/10/42/533661042.db2.gz IVGRQMXZQFOZOH-UHFFFAOYSA-N 2 2 293.367 0.177 20 0 CCADLP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1COCC[NH2+]1 ZINC000237051189 131000181 /nfs/dbraw/zinc/00/01/81/131000181.db2.gz RCLDJCKNYRILPM-AWEZNQCLSA-N 2 2 277.368 0.984 20 0 CCADLP C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC[NH2+]1 ZINC000237567086 131042897 /nfs/dbraw/zinc/04/28/97/131042897.db2.gz BJSLZBSAWQHPPV-NSHDSACASA-N 2 2 271.324 0.701 20 0 CCADLP [NH3+]C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)nc1)C1CC1 ZINC000237798006 131058597 /nfs/dbraw/zinc/05/85/97/131058597.db2.gz ZGGFXGWOJFBVBL-GFCCVEGCSA-N 2 2 271.324 0.734 20 0 CCADLP [NH3+]CCC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000237848066 131061132 /nfs/dbraw/zinc/06/11/32/131061132.db2.gz ZXVCCPAHVCAXFX-UHFFFAOYSA-N 2 2 277.368 0.558 20 0 CCADLP O=C([C@H]1CCC[NH2+]1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000237981116 131071254 /nfs/dbraw/zinc/07/12/54/131071254.db2.gz QOQRRUQXWTVEBB-OAHLLOKOSA-N 2 2 289.379 0.788 20 0 CCADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)[C@H]1CSC[NH2+]1 ZINC000238087837 131075844 /nfs/dbraw/zinc/07/58/44/131075844.db2.gz CEASULUUFXOPPW-LLVKDONJSA-N 2 2 289.364 0.546 20 0 CCADLP O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@@H]1COCC[NH2+]1 ZINC000238095504 131077000 /nfs/dbraw/zinc/07/70/00/131077000.db2.gz YCNCYUPROJZRGB-HNNXBMFYSA-N 2 2 289.379 0.149 20 0 CCADLP O=C(NCC[N@H+]1CCc2ccccc2C1)[C@@H]1COCC[NH2+]1 ZINC000238095504 131077003 /nfs/dbraw/zinc/07/70/03/131077003.db2.gz YCNCYUPROJZRGB-HNNXBMFYSA-N 2 2 289.379 0.149 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250397244 131125221 /nfs/dbraw/zinc/12/52/21/131125221.db2.gz ILRJEECNYJPOJN-QWRGUYRKSA-N 2 2 270.377 0.281 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250397244 131125222 /nfs/dbraw/zinc/12/52/22/131125222.db2.gz ILRJEECNYJPOJN-QWRGUYRKSA-N 2 2 270.377 0.281 20 0 CCADLP [NH3+]CC[C@H]1CCCC[N@@H+]1CC(=O)NC[C@H]1CCCO1 ZINC000250881541 131127486 /nfs/dbraw/zinc/12/74/86/131127486.db2.gz VNYOXODRXIAEFQ-CHWSQXEVSA-N 2 2 269.389 0.485 20 0 CCADLP [NH3+]CC[C@H]1CCCC[N@H+]1CC(=O)NC[C@H]1CCCO1 ZINC000250881541 131127488 /nfs/dbraw/zinc/12/74/88/131127488.db2.gz VNYOXODRXIAEFQ-CHWSQXEVSA-N 2 2 269.389 0.485 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)NC(=O)NC2CCCCC2)CC[C@H]1[NH3+] ZINC000251788855 131131855 /nfs/dbraw/zinc/13/18/55/131131855.db2.gz NHZKCZKOSNETEG-WCQYABFASA-N 2 2 296.415 0.814 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)NC(=O)NC2CCCCC2)CC[C@H]1[NH3+] ZINC000251788855 131131857 /nfs/dbraw/zinc/13/18/57/131131857.db2.gz NHZKCZKOSNETEG-WCQYABFASA-N 2 2 296.415 0.814 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261582516 131154056 /nfs/dbraw/zinc/15/40/56/131154056.db2.gz RHEPOBBODSEKQH-VXGBXAGGSA-N 2 2 250.346 0.920 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)[C@@H]3CC[C@H](C[NH3+])O3)cn21 ZINC000261811539 131170577 /nfs/dbraw/zinc/17/05/77/131170577.db2.gz OTRHJBHMTSLDNX-OLZOCXBDSA-N 2 2 288.351 0.765 20 0 CCADLP C[C@H](C[NH3+])C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000262344155 131213857 /nfs/dbraw/zinc/21/38/57/131213857.db2.gz FUTGMVCDKQBECD-LLVKDONJSA-N 2 2 262.357 0.893 20 0 CCADLP O=C(NCC[C@H]1CC[NH2+]C1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000262577614 131235334 /nfs/dbraw/zinc/23/53/34/131235334.db2.gz LBXANGYPYKBUCU-GFCCVEGCSA-N 2 2 285.351 0.997 20 0 CCADLP [NH3+]CCC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000262690787 131251546 /nfs/dbraw/zinc/25/15/46/131251546.db2.gz ZHGBLZGXTJKZHG-OAHLLOKOSA-N 2 2 291.395 0.395 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)NCc1[nH+]ccn1C ZINC000264114882 131396701 /nfs/dbraw/zinc/39/67/01/131396701.db2.gz GWWQLWOLFBJBOU-JTQLQIEISA-N 2 2 253.350 0.560 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000264134914 131399057 /nfs/dbraw/zinc/39/90/57/131399057.db2.gz IISSTNQVBJCVGV-NEPJUHHUSA-N 2 2 277.372 0.846 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000264134914 131399058 /nfs/dbraw/zinc/39/90/58/131399058.db2.gz IISSTNQVBJCVGV-NEPJUHHUSA-N 2 2 277.372 0.846 20 0 CCADLP CC(C)[NH+]1CCC(O)(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC000268488594 132016195 /nfs/dbraw/zinc/01/61/95/132016195.db2.gz QUAYDNKNKIRFRN-UHFFFAOYSA-N 2 2 294.399 0.625 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)[C@H]1COCC[NH2+]1)c1ccsc1 ZINC000269230887 132137295 /nfs/dbraw/zinc/13/72/95/132137295.db2.gz IKDGDKUFDLNSMN-VXGBXAGGSA-N 2 2 283.397 0.455 20 0 CCADLP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530219039 285573174 /nfs/dbraw/zinc/57/31/74/285573174.db2.gz YTJNWPGQNUDEER-WUHRBBMRSA-N 3 2 253.390 0.613 20 0 CCADLP O=C1NCC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000658052515 413095200 /nfs/dbraw/zinc/09/52/00/413095200.db2.gz DUTMTMLSSIAGEF-LBPRGKRZSA-N 2 2 260.341 0.529 20 0 CCADLP CCCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917667 397390383 /nfs/dbraw/zinc/39/03/83/397390383.db2.gz UMBWCLPQFJVARX-OLZOCXBDSA-N 2 2 253.390 0.977 20 0 CCADLP CCCNC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917667 397390390 /nfs/dbraw/zinc/39/03/90/397390390.db2.gz UMBWCLPQFJVARX-OLZOCXBDSA-N 2 2 253.390 0.977 20 0 CCADLP CO[C@H](C[NH3+])C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000353455504 397468198 /nfs/dbraw/zinc/46/81/98/397468198.db2.gz XSRXNMDUCRQHTH-GHMZBOCLSA-N 2 2 294.399 0.585 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000356619525 144019990 /nfs/dbraw/zinc/01/99/90/144019990.db2.gz ZXENLEWMFYFDHL-UHFFFAOYSA-N 2 2 295.387 0.330 20 0 CCADLP CN(C)C(=O)c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)[nH]1 ZINC000357045664 144053293 /nfs/dbraw/zinc/05/32/93/144053293.db2.gz HZZONXLOIWTTQA-NEPJUHHUSA-N 2 2 276.384 0.758 20 0 CCADLP CN(C)C(=O)c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)[nH]1 ZINC000357045664 144053295 /nfs/dbraw/zinc/05/32/95/144053295.db2.gz HZZONXLOIWTTQA-NEPJUHHUSA-N 2 2 276.384 0.758 20 0 CCADLP COc1coc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1=O ZINC000357068171 144056192 /nfs/dbraw/zinc/05/61/92/144056192.db2.gz GBZFXDQUDDOPQS-GHMZBOCLSA-N 2 2 264.325 0.690 20 0 CCADLP COc1coc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1=O ZINC000357068171 144056193 /nfs/dbraw/zinc/05/61/93/144056193.db2.gz GBZFXDQUDDOPQS-GHMZBOCLSA-N 2 2 264.325 0.690 20 0 CCADLP C[N@H+](CCOCC[NH3+])CC(=O)Nc1cc(F)cc(F)c1 ZINC000357075340 144057358 /nfs/dbraw/zinc/05/73/58/144057358.db2.gz GYKTYEWIVDEWTN-UHFFFAOYSA-N 2 2 287.310 0.810 20 0 CCADLP C[N@@H+](CCOCC[NH3+])CC(=O)Nc1cc(F)cc(F)c1 ZINC000357075340 144057359 /nfs/dbraw/zinc/05/73/59/144057359.db2.gz GYKTYEWIVDEWTN-UHFFFAOYSA-N 2 2 287.310 0.810 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[NH+](C)C[C@H]2C1 ZINC000357114213 144062035 /nfs/dbraw/zinc/06/20/35/144062035.db2.gz IEKQYDHDRMOHFH-RYUDHWBXSA-N 2 2 262.357 0.373 20 0 CCADLP Cc1ccc2[nH+]cc(CN3CCO[C@H](C[NH3+])C3)n2c1 ZINC000357968683 144138473 /nfs/dbraw/zinc/13/84/73/144138473.db2.gz OLBQBWDNSZUWPF-CYBMUJFWSA-N 2 2 260.341 0.802 20 0 CCADLP CO[C@@H](C[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1)C1CC1 ZINC000381104202 397483766 /nfs/dbraw/zinc/48/37/66/397483766.db2.gz HMYGIZQLRYBVCQ-AWEZNQCLSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H](CO)CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369362982 144265230 /nfs/dbraw/zinc/26/52/30/144265230.db2.gz IOHSIQXTXTTZBJ-CHWSQXEVSA-N 2 2 298.431 0.083 20 0 CCADLP C[C@@H](CO)CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369362982 144265232 /nfs/dbraw/zinc/26/52/32/144265232.db2.gz IOHSIQXTXTTZBJ-CHWSQXEVSA-N 2 2 298.431 0.083 20 0 CCADLP CC(C)(C)[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000372474534 144368175 /nfs/dbraw/zinc/36/81/75/144368175.db2.gz UQOYASXTKCCITF-NSHDSACASA-N 2 2 264.373 0.950 20 0 CCADLP CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1CCn1cc[nH+]c1 ZINC000372921985 144385725 /nfs/dbraw/zinc/38/57/25/144385725.db2.gz FEIWMFHHFUGYSJ-STQMWFEESA-N 2 2 281.356 0.926 20 0 CCADLP CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1CCn1cc[nH+]c1 ZINC000372921985 144385726 /nfs/dbraw/zinc/38/57/26/144385726.db2.gz FEIWMFHHFUGYSJ-STQMWFEESA-N 2 2 281.356 0.926 20 0 CCADLP O=C1O[C@@H](C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CC12CC2 ZINC000373036838 144389456 /nfs/dbraw/zinc/38/94/56/144389456.db2.gz SVEWVTPLUIBCDI-UONOGXRCSA-N 2 2 294.395 0.736 20 0 CCADLP O=C1O[C@@H](C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CC12CC2 ZINC000373036838 144389457 /nfs/dbraw/zinc/38/94/57/144389457.db2.gz SVEWVTPLUIBCDI-UONOGXRCSA-N 2 2 294.395 0.736 20 0 CCADLP CCC[C@H](C[NH2+]CC(=O)N1CC[NH+](C)CC1)OC ZINC000386260273 397501587 /nfs/dbraw/zinc/50/15/87/397501587.db2.gz UYFOJEONKWFSHO-GFCCVEGCSA-N 2 2 257.378 0.165 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](OC)C[C@@H]1C ZINC000388860027 397508057 /nfs/dbraw/zinc/50/80/57/397508057.db2.gz AKGBSGPMAVTCPF-MELADBBJSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](OC)C[C@@H]1C ZINC000388860027 397508059 /nfs/dbraw/zinc/50/80/59/397508059.db2.gz AKGBSGPMAVTCPF-MELADBBJSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](OC)C[C@@H]1C ZINC000388860027 397508064 /nfs/dbraw/zinc/50/80/64/397508064.db2.gz AKGBSGPMAVTCPF-MELADBBJSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](OC)C[C@@H]1C ZINC000388860027 397508067 /nfs/dbraw/zinc/50/80/67/397508067.db2.gz AKGBSGPMAVTCPF-MELADBBJSA-N 2 2 274.405 0.425 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+]C1(C(N)=O)CCCCC1 ZINC000519741740 397569110 /nfs/dbraw/zinc/56/91/10/397569110.db2.gz HPPYRODOZAXLSK-LLVKDONJSA-N 2 2 257.378 0.077 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+]C1(C(N)=O)CCCCC1 ZINC000519741740 397569115 /nfs/dbraw/zinc/56/91/15/397569115.db2.gz HPPYRODOZAXLSK-LLVKDONJSA-N 2 2 257.378 0.077 20 0 CCADLP c1c[nH+]c(CN2CC[NH+](CC[C@@H]3CCOC3)CC2)[nH]1 ZINC000438114973 397537063 /nfs/dbraw/zinc/53/70/63/397537063.db2.gz GCYKAOMEJXBYPK-CYBMUJFWSA-N 2 2 264.373 0.954 20 0 CCADLP CC[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)CCCO1 ZINC000439467380 397539302 /nfs/dbraw/zinc/53/93/02/397539302.db2.gz JVEFOVDXAJTEMS-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP CC[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CCCO1 ZINC000439467380 397539304 /nfs/dbraw/zinc/53/93/04/397539304.db2.gz JVEFOVDXAJTEMS-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP OCC1([NH2+]CC2CC2)CC[NH+](CCc2cn[nH]c2)CC1 ZINC000649624536 397648884 /nfs/dbraw/zinc/64/88/84/397648884.db2.gz JGWDSOWDDMLCTA-UHFFFAOYSA-N 2 2 278.400 0.779 20 0 CCADLP CNC(=O)C[C@@]1(O)CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000643816460 397599597 /nfs/dbraw/zinc/59/95/97/397599597.db2.gz BJYWRGKPLUXWOT-AWEZNQCLSA-N 2 2 280.372 0.236 20 0 CCADLP CNC(=O)C[C@@]1(O)CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000643816460 397599598 /nfs/dbraw/zinc/59/95/98/397599598.db2.gz BJYWRGKPLUXWOT-AWEZNQCLSA-N 2 2 280.372 0.236 20 0 CCADLP CC[C@@H](C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1)OC ZINC000649684733 397654971 /nfs/dbraw/zinc/65/49/71/397654971.db2.gz ACHJHCWGBQSHPQ-LBPRGKRZSA-N 2 2 257.378 0.117 20 0 CCADLP CC[C@@H](C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1)OC ZINC000649684733 397654973 /nfs/dbraw/zinc/65/49/73/397654973.db2.gz ACHJHCWGBQSHPQ-LBPRGKRZSA-N 2 2 257.378 0.117 20 0 CCADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)CC[C@@H]1[NH3+] ZINC000649416812 397609292 /nfs/dbraw/zinc/60/92/92/397609292.db2.gz MRRFKMGZMVSPAV-KFWWJZLASA-N 3 2 296.459 0.598 20 0 CCADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)CC[C@@H]1[NH3+] ZINC000649416812 397609293 /nfs/dbraw/zinc/60/92/93/397609293.db2.gz MRRFKMGZMVSPAV-KFWWJZLASA-N 3 2 296.459 0.598 20 0 CCADLP Cn1ncnc1C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000649420428 397610446 /nfs/dbraw/zinc/61/04/46/397610446.db2.gz NDHFBVSYSWQNEQ-TZMCWYRMSA-N 2 2 279.388 0.533 20 0 CCADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650189415 397703759 /nfs/dbraw/zinc/70/37/59/397703759.db2.gz KPYUTXQXPZBTHH-CYBMUJFWSA-N 2 2 290.367 0.981 20 0 CCADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650189415 397703762 /nfs/dbraw/zinc/70/37/62/397703762.db2.gz KPYUTXQXPZBTHH-CYBMUJFWSA-N 2 2 290.367 0.981 20 0 CCADLP CCO[C@@H]1C[N@H+](Cc2ccnn2CCCOC)C[C@H]1C[NH3+] ZINC000650714203 397747878 /nfs/dbraw/zinc/74/78/78/397747878.db2.gz VXEDMPMTVWLLHL-UKRRQHHQSA-N 2 2 296.415 0.715 20 0 CCADLP CCO[C@@H]1C[N@@H+](Cc2ccnn2CCCOC)C[C@H]1C[NH3+] ZINC000650714203 397747881 /nfs/dbraw/zinc/74/78/81/397747881.db2.gz VXEDMPMTVWLLHL-UKRRQHHQSA-N 2 2 296.415 0.715 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357085148 286069190 /nfs/dbraw/zinc/06/91/90/286069190.db2.gz QLCNUGRFIGZVGZ-BFHYXJOUSA-N 2 2 283.416 0.459 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357085148 286069192 /nfs/dbraw/zinc/06/91/92/286069192.db2.gz QLCNUGRFIGZVGZ-BFHYXJOUSA-N 2 2 283.416 0.459 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359289044 286069583 /nfs/dbraw/zinc/06/95/83/286069583.db2.gz PQWMGGSYAAKUAZ-RWMBFGLXSA-N 2 2 269.389 0.069 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359289044 286069584 /nfs/dbraw/zinc/06/95/84/286069584.db2.gz PQWMGGSYAAKUAZ-RWMBFGLXSA-N 2 2 269.389 0.069 20 0 CCADLP Cc1ccc([C@@H](CNC(=O)CC[NH3+])[NH+]2CCOCC2)cc1 ZINC000237777095 292198829 /nfs/dbraw/zinc/19/88/29/292198829.db2.gz AOXYHTYIQGIFFU-OAHLLOKOSA-N 2 2 291.395 0.833 20 0 CCADLP Cc1ccc([C@@H](CNC(=O)C[NH3+])[NH+]2CCOCC2)cc1 ZINC000237777219 292198961 /nfs/dbraw/zinc/19/89/61/292198961.db2.gz DFYUBVROSAORHW-CQSZACIVSA-N 2 2 277.368 0.443 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339430142 286094739 /nfs/dbraw/zinc/09/47/39/286094739.db2.gz QMRIVNOMPYMLPU-OAHLLOKOSA-N 2 2 283.416 0.557 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339430142 286094740 /nfs/dbraw/zinc/09/47/40/286094740.db2.gz QMRIVNOMPYMLPU-OAHLLOKOSA-N 2 2 283.416 0.557 20 0 CCADLP CCOCCNC(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339430142 286094742 /nfs/dbraw/zinc/09/47/42/286094742.db2.gz QMRIVNOMPYMLPU-OAHLLOKOSA-N 2 2 283.416 0.557 20 0 CCADLP CCOCCNC(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339430142 286094743 /nfs/dbraw/zinc/09/47/43/286094743.db2.gz QMRIVNOMPYMLPU-OAHLLOKOSA-N 2 2 283.416 0.557 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)[C@H]1CCc2c[nH+]cn2C1 ZINC000553190173 286184377 /nfs/dbraw/zinc/18/43/77/286184377.db2.gz DSBVSDFYSGLCDB-LBPRGKRZSA-N 2 2 273.340 0.849 20 0 CCADLP C[C@H](C(=O)N1CCCC[C@@H]1CC[NH3+])[NH+]1CCOCC1 ZINC000357362788 289267786 /nfs/dbraw/zinc/26/77/86/289267786.db2.gz HJAJMQFQJLUNAP-CHWSQXEVSA-N 2 2 269.389 0.437 20 0 CCADLP CN(CCC[NH3+])C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000659076094 413273502 /nfs/dbraw/zinc/27/35/02/413273502.db2.gz BBDVYGANZMICAY-UHFFFAOYSA-N 2 2 275.312 0.080 20 0 CCADLP COCCCNC(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000355332911 292357922 /nfs/dbraw/zinc/35/79/22/292357922.db2.gz LJJFCGBPWVXGHX-GFCCVEGCSA-N 2 2 257.378 0.023 20 0 CCADLP COCCCNC(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000355332911 292357926 /nfs/dbraw/zinc/35/79/26/292357926.db2.gz LJJFCGBPWVXGHX-GFCCVEGCSA-N 2 2 257.378 0.023 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339437369 292361986 /nfs/dbraw/zinc/36/19/86/292361986.db2.gz PBWGOSXJJPILSG-GOEBONIOSA-N 2 2 297.443 0.945 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339437369 292361988 /nfs/dbraw/zinc/36/19/88/292361988.db2.gz PBWGOSXJJPILSG-GOEBONIOSA-N 2 2 297.443 0.945 20 0 CCADLP COCCCNC(=O)[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339437369 292361989 /nfs/dbraw/zinc/36/19/89/292361989.db2.gz PBWGOSXJJPILSG-GOEBONIOSA-N 2 2 297.443 0.945 20 0 CCADLP COCCCNC(=O)[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339437369 292361991 /nfs/dbraw/zinc/36/19/91/292361991.db2.gz PBWGOSXJJPILSG-GOEBONIOSA-N 2 2 297.443 0.945 20 0 CCADLP C[C@H](C(=O)NC(C)(C)C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261877728 298128708 /nfs/dbraw/zinc/12/87/08/298128708.db2.gz ZXWDPVOLJANRRC-CHWSQXEVSA-N 2 2 282.432 0.269 20 0 CCADLP CSCC[C@@H]([NH3+])C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000167694970 286670982 /nfs/dbraw/zinc/67/09/82/286670982.db2.gz DOVACTUHMMDUPM-IJLUTSLNSA-N 2 2 289.445 0.292 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)c1c[nH+]ccc1N(C)C ZINC000183514972 286849221 /nfs/dbraw/zinc/84/92/21/286849221.db2.gz TYRGYKWQZMWRQE-LBPRGKRZSA-N 2 2 292.383 0.598 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@H]1CCC[NH2+]1 ZINC000422743761 287024948 /nfs/dbraw/zinc/02/49/48/287024948.db2.gz RTZRWQAKHOQBNN-MGPQQGTHSA-N 3 2 282.432 0.304 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@H]1CCC[NH2+]1 ZINC000422743761 287024949 /nfs/dbraw/zinc/02/49/49/287024949.db2.gz RTZRWQAKHOQBNN-MGPQQGTHSA-N 3 2 282.432 0.304 20 0 CCADLP C[C@@H](O)CCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000336788287 287077861 /nfs/dbraw/zinc/07/78/61/287077861.db2.gz GVSXGJMLMVVJFL-KGLIPLIRSA-N 2 2 256.390 0.802 20 0 CCADLP C[C@@H](O)CCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000336788287 287077863 /nfs/dbraw/zinc/07/78/63/287077863.db2.gz GVSXGJMLMVVJFL-KGLIPLIRSA-N 2 2 256.390 0.802 20 0 CCADLP CN(Cc1cccs1)C(=O)C[N@H+](C)CCC[NH3+] ZINC000123287373 411709948 /nfs/dbraw/zinc/70/99/48/411709948.db2.gz LNFPYAAWDMHJGL-UHFFFAOYSA-N 2 2 255.387 0.987 20 0 CCADLP CN(Cc1cccs1)C(=O)C[N@@H+](C)CCC[NH3+] ZINC000123287373 411709952 /nfs/dbraw/zinc/70/99/52/411709952.db2.gz LNFPYAAWDMHJGL-UHFFFAOYSA-N 2 2 255.387 0.987 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000070362332 411692082 /nfs/dbraw/zinc/69/20/82/411692082.db2.gz MXYADXJGBHGIBE-OLZOCXBDSA-N 2 2 255.406 0.779 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000070362332 411692086 /nfs/dbraw/zinc/69/20/86/411692086.db2.gz MXYADXJGBHGIBE-OLZOCXBDSA-N 2 2 255.406 0.779 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000311139992 411750528 /nfs/dbraw/zinc/75/05/28/411750528.db2.gz KYZQLOOXHXMJSL-MCIONIFRSA-N 2 2 256.390 0.657 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000311139992 411750531 /nfs/dbraw/zinc/75/05/31/411750531.db2.gz KYZQLOOXHXMJSL-MCIONIFRSA-N 2 2 256.390 0.657 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CCO)C1 ZINC000311503056 411750922 /nfs/dbraw/zinc/75/09/22/411750922.db2.gz XIJQRAQFWPORMV-UONOGXRCSA-N 2 2 274.405 0.020 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CCO)C1 ZINC000311503056 411750926 /nfs/dbraw/zinc/75/09/26/411750926.db2.gz XIJQRAQFWPORMV-UONOGXRCSA-N 2 2 274.405 0.020 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000311503056 411750930 /nfs/dbraw/zinc/75/09/30/411750930.db2.gz XIJQRAQFWPORMV-UONOGXRCSA-N 2 2 274.405 0.020 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](CCO)C1 ZINC000311503056 411750933 /nfs/dbraw/zinc/75/09/33/411750933.db2.gz XIJQRAQFWPORMV-UONOGXRCSA-N 2 2 274.405 0.020 20 0 CCADLP CC[N@@H+]1CC[C@H]2OCCN(Cc3cc[nH+]c(N)c3)[C@H]2C1 ZINC000334050569 411761670 /nfs/dbraw/zinc/76/16/70/411761670.db2.gz ROKYDGOBAOAWHF-UONOGXRCSA-N 2 2 276.384 0.959 20 0 CCADLP CC[N@H+]1CC[C@H]2OCCN(Cc3cc[nH+]c(N)c3)[C@H]2C1 ZINC000334050569 411761676 /nfs/dbraw/zinc/76/16/76/411761676.db2.gz ROKYDGOBAOAWHF-UONOGXRCSA-N 2 2 276.384 0.959 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])no1 ZINC000404430206 411794739 /nfs/dbraw/zinc/79/47/39/411794739.db2.gz OFZXXPQHELQGOW-ZYHUDNBSSA-N 2 2 280.372 0.793 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])no1 ZINC000404430206 411794743 /nfs/dbraw/zinc/79/47/43/411794743.db2.gz OFZXXPQHELQGOW-ZYHUDNBSSA-N 2 2 280.372 0.793 20 0 CCADLP C[C@H]1CCC[N@H+](Cc2nnnn2C2CC2)[C@H]1CC[NH3+] ZINC000404411503 411796093 /nfs/dbraw/zinc/79/60/93/411796093.db2.gz XUJIXNTXLIBENA-JQWIXIFHSA-N 2 2 264.377 0.957 20 0 CCADLP C[C@H]1CCC[N@@H+](Cc2nnnn2C2CC2)[C@H]1CC[NH3+] ZINC000404411503 411796097 /nfs/dbraw/zinc/79/60/97/411796097.db2.gz XUJIXNTXLIBENA-JQWIXIFHSA-N 2 2 264.377 0.957 20 0 CCADLP CCO[C@@H]1C[N@H+](CC(=O)N2C[C@@H](C)C[C@H](C)C2)C[C@H]1C[NH3+] ZINC000405567233 411803258 /nfs/dbraw/zinc/80/32/58/411803258.db2.gz GPSQPNUKKIOHMV-BYNSBNAKSA-N 2 2 297.443 0.787 20 0 CCADLP CCO[C@@H]1C[N@@H+](CC(=O)N2C[C@@H](C)C[C@H](C)C2)C[C@H]1C[NH3+] ZINC000405567233 411803263 /nfs/dbraw/zinc/80/32/63/411803263.db2.gz GPSQPNUKKIOHMV-BYNSBNAKSA-N 2 2 297.443 0.787 20 0 CCADLP C[C@H](CCCCO)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000651380054 411857400 /nfs/dbraw/zinc/85/74/00/411857400.db2.gz ZDYIIAIBOGQYIH-ZIAGYGMSSA-N 2 2 258.406 0.974 20 0 CCADLP C[C@H](CCCCO)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000651380054 411857404 /nfs/dbraw/zinc/85/74/04/411857404.db2.gz ZDYIIAIBOGQYIH-ZIAGYGMSSA-N 2 2 258.406 0.974 20 0 CCADLP Cc1ccc2[nH+]cc(CN3CC([N@@H+]4CC[C@@H](O)C4)C3)n2c1 ZINC000651977868 411970383 /nfs/dbraw/zinc/97/03/83/411970383.db2.gz DVYTVORTBIOBFY-OAHLLOKOSA-N 2 2 286.379 0.894 20 0 CCADLP Cc1ccc2[nH+]cc(CN3CC([N@H+]4CC[C@@H](O)C4)C3)n2c1 ZINC000651977868 411970388 /nfs/dbraw/zinc/97/03/88/411970388.db2.gz DVYTVORTBIOBFY-OAHLLOKOSA-N 2 2 286.379 0.894 20 0 CCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CC[C@@]2(O)CCCOC2)C1 ZINC000652040407 411979536 /nfs/dbraw/zinc/97/95/36/411979536.db2.gz DFKQJJMSAUURNP-KGLIPLIRSA-N 2 2 272.389 0.228 20 0 CCADLP COCC[N@H+]1CC[C@@H]([NH2+]CC[C@@]2(O)CCCOC2)C1 ZINC000652040407 411979539 /nfs/dbraw/zinc/97/95/39/411979539.db2.gz DFKQJJMSAUURNP-KGLIPLIRSA-N 2 2 272.389 0.228 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)NCCC2(C[NH3+])CC2)c1 ZINC000652199633 412001791 /nfs/dbraw/zinc/00/17/91/412001791.db2.gz ZLCZNJNKDNPOPJ-UHFFFAOYSA-N 2 2 265.361 0.391 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCOc2ccccc2C1 ZINC000652337242 412029595 /nfs/dbraw/zinc/02/95/95/412029595.db2.gz XYQGOGMBHNCPRL-CQSZACIVSA-N 2 2 250.342 0.851 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCOc2ccccc2C1 ZINC000652337242 412029597 /nfs/dbraw/zinc/02/95/97/412029597.db2.gz XYQGOGMBHNCPRL-CQSZACIVSA-N 2 2 250.342 0.851 20 0 CCADLP Cc1cc(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)nn1C ZINC000652341433 412032441 /nfs/dbraw/zinc/03/24/41/412032441.db2.gz OZMGUKGGZWLKJW-CQSZACIVSA-N 2 2 289.387 0.616 20 0 CCADLP Cc1cc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)nn1C ZINC000652341433 412032445 /nfs/dbraw/zinc/03/24/45/412032445.db2.gz OZMGUKGGZWLKJW-CQSZACIVSA-N 2 2 289.387 0.616 20 0 CCADLP C[C@H]1CCC[N@H+](Cc2nnc3n2CCOC3)[C@@H]1CC[NH3+] ZINC000652356214 412036274 /nfs/dbraw/zinc/03/62/74/412036274.db2.gz WQWUMEPZAHHDBQ-NWDGAFQWSA-N 2 2 279.388 0.758 20 0 CCADLP C[C@H]1CCC[N@@H+](Cc2nnc3n2CCOC3)[C@@H]1CC[NH3+] ZINC000652356214 412036277 /nfs/dbraw/zinc/03/62/77/412036277.db2.gz WQWUMEPZAHHDBQ-NWDGAFQWSA-N 2 2 279.388 0.758 20 0 CCADLP CCO[C@@H]1C[N@@H+]([C@@H](C(N)=O)c2ccccc2)C[C@H]1C[NH3+] ZINC000652357973 412038137 /nfs/dbraw/zinc/03/81/37/412038137.db2.gz SNSKBYQIARFEPD-MGPQQGTHSA-N 2 2 277.368 0.509 20 0 CCADLP CCO[C@@H]1C[N@H+]([C@@H](C(N)=O)c2ccccc2)C[C@H]1C[NH3+] ZINC000652357973 412038140 /nfs/dbraw/zinc/03/81/40/412038140.db2.gz SNSKBYQIARFEPD-MGPQQGTHSA-N 2 2 277.368 0.509 20 0 CCADLP C[C@@H](NC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000652464024 412057404 /nfs/dbraw/zinc/05/74/04/412057404.db2.gz GTVUFHDVCLVUES-RQJABVFESA-N 2 2 298.431 0.440 20 0 CCADLP C[C@@H](NC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000652464024 412057406 /nfs/dbraw/zinc/05/74/06/412057406.db2.gz GTVUFHDVCLVUES-RQJABVFESA-N 2 2 298.431 0.440 20 0 CCADLP C[C@@H](NC(=O)N1C[C@@H](C)[NH+](C)[C@@H](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000652464024 412057409 /nfs/dbraw/zinc/05/74/09/412057409.db2.gz GTVUFHDVCLVUES-RQJABVFESA-N 2 2 298.431 0.440 20 0 CCADLP C[C@@H](NC(=O)N1C[C@@H](C)[NH+](C)[C@@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000652464024 412057412 /nfs/dbraw/zinc/05/74/12/412057412.db2.gz GTVUFHDVCLVUES-RQJABVFESA-N 2 2 298.431 0.440 20 0 CCADLP C[NH+](C)C1(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000652458536 412057791 /nfs/dbraw/zinc/05/77/91/412057791.db2.gz NCPKBZYHPYQOKY-UHFFFAOYSA-N 2 2 276.384 0.972 20 0 CCADLP C[C@H](CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C)Cn1cc[nH+]c1 ZINC000284556861 196083936 /nfs/dbraw/zinc/08/39/36/196083936.db2.gz GWJDEHAPKKYPNY-UTUOFQBUSA-N 2 2 266.345 0.012 20 0 CCADLP COc1ccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)c(C)c1 ZINC000653091188 412214412 /nfs/dbraw/zinc/21/44/12/412214412.db2.gz MYCDHXFCCFWURS-CQSZACIVSA-N 2 2 279.384 0.899 20 0 CCADLP C[NH2+][C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000653043862 412198411 /nfs/dbraw/zinc/19/84/11/412198411.db2.gz GGFJRIXDXSRJLH-LLVKDONJSA-N 2 2 262.357 0.582 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC1([NH3+])CCCCCC1 ZINC000653044932 412198873 /nfs/dbraw/zinc/19/88/73/412198873.db2.gz KFURUODOJMFHKV-LBPRGKRZSA-N 3 2 270.421 0.433 20 0 CCADLP COc1ccccc1CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653057127 412203429 /nfs/dbraw/zinc/20/34/29/412203429.db2.gz PTAJREOPOHFHFX-GFCCVEGCSA-N 2 2 265.357 0.590 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@H]1COc2ccccc2O1 ZINC000653058426 412205035 /nfs/dbraw/zinc/20/50/35/412205035.db2.gz SSCQSNVEBAGTOZ-NWDGAFQWSA-N 2 2 293.367 0.222 20 0 CCADLP COCCN(Cc1ccccc1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653058517 412206536 /nfs/dbraw/zinc/20/65/36/412206536.db2.gz WYPCJKTUFXFWAD-OAHLLOKOSA-N 2 2 293.411 0.941 20 0 CCADLP CCCCn1nccc1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653068447 412207386 /nfs/dbraw/zinc/20/73/86/412207386.db2.gz CTPLSKCOLKOHHB-LLVKDONJSA-N 2 2 267.377 0.901 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000653063977 412207776 /nfs/dbraw/zinc/20/77/76/412207776.db2.gz AFELUURKXBWJCL-GJZGRUSLSA-N 2 2 291.395 0.866 20 0 CCADLP CCOc1ccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653066818 412207824 /nfs/dbraw/zinc/20/78/24/412207824.db2.gz DCMZHJKQCLOLEZ-CQSZACIVSA-N 2 2 279.384 0.981 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC(C)(C)O1 ZINC000653077984 412209572 /nfs/dbraw/zinc/20/95/72/412209572.db2.gz QSUUIQQHIZDREO-MNOVXSKESA-N 2 2 257.378 0.291 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cccc2c1OCCO2 ZINC000653075316 412209868 /nfs/dbraw/zinc/20/98/68/412209868.db2.gz MYOIHLOBOQPRHU-JTQLQIEISA-N 2 2 279.340 0.675 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCOCc1ccccc1 ZINC000653084679 412212830 /nfs/dbraw/zinc/21/28/30/412212830.db2.gz NZKVOPDGHZZPNI-CQSZACIVSA-N 2 2 279.384 0.598 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCCC(F)(F)F ZINC000653089137 412213715 /nfs/dbraw/zinc/21/37/15/412213715.db2.gz YJEVUFFGTPQRLA-MRVPVSSYSA-N 2 2 255.284 0.724 20 0 CCADLP Cn1nccc1[C@H]1CCCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653204963 412258427 /nfs/dbraw/zinc/25/84/27/412258427.db2.gz LASGQJNMPMYWER-GXTWGEPZSA-N 2 2 293.415 0.753 20 0 CCADLP CCO[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C[NH3+] ZINC000653249374 412268971 /nfs/dbraw/zinc/26/89/71/412268971.db2.gz ZBEYIFWWSZGGHO-YNEHKIRRSA-N 2 2 280.372 0.656 20 0 CCADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000653299325 412285340 /nfs/dbraw/zinc/28/53/40/412285340.db2.gz OTMGJLCSZZXYPZ-UKMLZYKCSA-N 3 2 277.412 0.729 20 0 CCADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000653299325 412285343 /nfs/dbraw/zinc/28/53/43/412285343.db2.gz OTMGJLCSZZXYPZ-UKMLZYKCSA-N 3 2 277.412 0.729 20 0 CCADLP CN(C(=O)CNC(=O)[C@H]([NH3+])CC[NH+](C)C)C1CCCCC1 ZINC000653094962 412215842 /nfs/dbraw/zinc/21/58/42/412215842.db2.gz WLPSUVRXFOMMPK-CYBMUJFWSA-N 2 2 298.431 0.173 20 0 CCADLP CN(CCOCC1CC1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653099055 412218393 /nfs/dbraw/zinc/21/83/93/412218393.db2.gz CKDRYLXMOGDZNB-LBPRGKRZSA-N 2 2 257.378 0.150 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(c2ccccc2)CC1 ZINC000653104488 412220639 /nfs/dbraw/zinc/22/06/39/412220639.db2.gz ISMYNCSCXZFBAT-HNNXBMFYSA-N 2 2 290.411 0.614 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000653109942 412222055 /nfs/dbraw/zinc/22/20/55/412222055.db2.gz SAXGNKZMWOBSBH-RDBSUJKOSA-N 3 2 284.448 0.502 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000653109942 412222057 /nfs/dbraw/zinc/22/20/57/412222057.db2.gz SAXGNKZMWOBSBH-RDBSUJKOSA-N 3 2 284.448 0.502 20 0 CCADLP Cc1nn(C)c2ncc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc12 ZINC000653107760 412222731 /nfs/dbraw/zinc/22/27/31/412222731.db2.gz WZYUHWNNNFPZPQ-LBPRGKRZSA-N 2 2 290.371 0.494 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000653111602 412224640 /nfs/dbraw/zinc/22/46/40/412224640.db2.gz UNYHZJOOGGWNMA-UONOGXRCSA-N 3 2 282.432 0.352 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653116263 412225434 /nfs/dbraw/zinc/22/54/34/412225434.db2.gz AEQFYDHXACRXLE-ZIAGYGMSSA-N 2 2 295.427 0.744 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653116263 412225435 /nfs/dbraw/zinc/22/54/35/412225435.db2.gz AEQFYDHXACRXLE-ZIAGYGMSSA-N 2 2 295.427 0.744 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCC1CC[NH+](C)CC1 ZINC000653113694 412226187 /nfs/dbraw/zinc/22/61/87/412226187.db2.gz LPWJAGUEMMGYCC-ZDUSSCGKSA-N 3 2 270.421 0.114 20 0 CCADLP CN(C)c1ccccc1CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653115782 412226411 /nfs/dbraw/zinc/22/64/11/412226411.db2.gz ZOIXYVJJFYZYNG-CYBMUJFWSA-N 2 2 278.400 0.648 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCC[NH2+]CC1)[NH+]1CCN(C)CC1 ZINC000653124705 412232092 /nfs/dbraw/zinc/23/20/92/412232092.db2.gz FJILJWVVEYCEDB-KGLIPLIRSA-N 2 2 282.432 0.128 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653134740 412237199 /nfs/dbraw/zinc/23/71/99/412237199.db2.gz JKASEKDYMFZLBP-YPMHNXCESA-N 2 2 276.384 0.876 20 0 CCADLP CCN(CCC[NH+](C)C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653153330 412245518 /nfs/dbraw/zinc/24/55/18/412245518.db2.gz MASKWSANHLTJKM-GFCCVEGCSA-N 3 2 258.410 0.066 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000653158202 412246711 /nfs/dbraw/zinc/24/67/11/412246711.db2.gz XIUQPGRDKGWNGY-YVECIDJPSA-N 2 2 281.400 0.339 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000653158484 412246794 /nfs/dbraw/zinc/24/67/94/412246794.db2.gz ASFVHERNYQPCRZ-AGIUHOORSA-N 2 2 285.432 0.521 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1ccn(C2CCCC2)n1 ZINC000653157030 412246881 /nfs/dbraw/zinc/24/68/81/412246881.db2.gz SDOOVPCUEMNCGO-AWEZNQCLSA-N 2 2 293.415 0.893 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000653157852 412247231 /nfs/dbraw/zinc/24/72/31/412247231.db2.gz NXWODFZPYOHXFD-HZSPNIEDSA-N 3 2 282.432 0.208 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000653157852 412247235 /nfs/dbraw/zinc/24/72/35/412247235.db2.gz NXWODFZPYOHXFD-HZSPNIEDSA-N 3 2 282.432 0.208 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCOCC1CCC1 ZINC000653167242 412249477 /nfs/dbraw/zinc/24/94/77/412249477.db2.gz NFPPLYCPTKOSDI-LBPRGKRZSA-N 2 2 257.378 0.198 20 0 CCADLP CCCC(=O)NC1CC[NH+](C[C@@H](O)C[N@H+](C)CC)CC1 ZINC000653495120 412307381 /nfs/dbraw/zinc/30/73/81/412307381.db2.gz VPOQJKGKDOKSMR-AWEZNQCLSA-N 2 2 285.432 0.680 20 0 CCADLP CCCC(=O)NC1CC[NH+](C[C@@H](O)C[N@@H+](C)CC)CC1 ZINC000653495120 412307390 /nfs/dbraw/zinc/30/73/90/412307390.db2.gz VPOQJKGKDOKSMR-AWEZNQCLSA-N 2 2 285.432 0.680 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+](CCO)CCc1ccccc1 ZINC000653556070 412317956 /nfs/dbraw/zinc/31/79/56/412317956.db2.gz MMWZPKRXJLEEFE-MRXNPFEDSA-N 2 2 280.412 0.836 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](CCO)CCc1ccccc1 ZINC000653556070 412317957 /nfs/dbraw/zinc/31/79/57/412317957.db2.gz MMWZPKRXJLEEFE-MRXNPFEDSA-N 2 2 280.412 0.836 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](CCO)CCc1ccccc1 ZINC000653556070 412317958 /nfs/dbraw/zinc/31/79/58/412317958.db2.gz MMWZPKRXJLEEFE-MRXNPFEDSA-N 2 2 280.412 0.836 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](CCO)CCc1ccccc1 ZINC000653556070 412317959 /nfs/dbraw/zinc/31/79/59/412317959.db2.gz MMWZPKRXJLEEFE-MRXNPFEDSA-N 2 2 280.412 0.836 20 0 CCADLP CCNC(=O)CC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000653592072 412323139 /nfs/dbraw/zinc/32/31/39/412323139.db2.gz IFGOHXOPWPDYEU-LLVKDONJSA-N 2 2 250.346 0.736 20 0 CCADLP CCNC(=O)CC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000653592072 412323141 /nfs/dbraw/zinc/32/31/41/412323141.db2.gz IFGOHXOPWPDYEU-LLVKDONJSA-N 2 2 250.346 0.736 20 0 CCADLP CCN1CC[N@H+](CCCc2c[nH+]cn2C)CC1=O ZINC000653616887 412324743 /nfs/dbraw/zinc/32/47/43/412324743.db2.gz JYRUYNRKZQMEBF-UHFFFAOYSA-N 2 2 250.346 0.517 20 0 CCADLP CCN1CC[N@@H+](CCCc2c[nH+]cn2C)CC1=O ZINC000653616887 412324745 /nfs/dbraw/zinc/32/47/45/412324745.db2.gz JYRUYNRKZQMEBF-UHFFFAOYSA-N 2 2 250.346 0.517 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2cccnc2)C1 ZINC000653775695 412344616 /nfs/dbraw/zinc/34/46/16/412344616.db2.gz FIIQIQTUEUXVFD-HOTGVXAUSA-N 2 2 293.411 0.810 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2cccnc2)C1 ZINC000653775695 412344617 /nfs/dbraw/zinc/34/46/17/412344617.db2.gz FIIQIQTUEUXVFD-HOTGVXAUSA-N 2 2 293.411 0.810 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000653775695 412344618 /nfs/dbraw/zinc/34/46/18/412344618.db2.gz FIIQIQTUEUXVFD-HOTGVXAUSA-N 2 2 293.411 0.810 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000653775695 412344619 /nfs/dbraw/zinc/34/46/19/412344619.db2.gz FIIQIQTUEUXVFD-HOTGVXAUSA-N 2 2 293.411 0.810 20 0 CCADLP Cc1nc2ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cn2n1 ZINC000653347610 412292447 /nfs/dbraw/zinc/29/24/47/412292447.db2.gz HOCOUZBTMJMWKJ-LLVKDONJSA-N 2 2 276.344 0.255 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH+]1CCCC1 ZINC000654407236 412394032 /nfs/dbraw/zinc/39/40/32/412394032.db2.gz KUWOINXSQBZTLP-LLVKDONJSA-N 2 2 250.346 0.800 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH+]1CCCC1 ZINC000654407236 412394034 /nfs/dbraw/zinc/39/40/34/412394034.db2.gz KUWOINXSQBZTLP-LLVKDONJSA-N 2 2 250.346 0.800 20 0 CCADLP C[C@@H](C(=O)Nc1ccn(CC[NH+](C)C)n1)[NH+]1CC(C)C1 ZINC000654654640 412423990 /nfs/dbraw/zinc/42/39/90/412423990.db2.gz CADYVSAKPJWUIE-LBPRGKRZSA-N 2 2 279.388 0.723 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)NCC23CC(C2)C[NH2+]3)CCO1 ZINC000659447003 413505340 /nfs/dbraw/zinc/50/53/40/413505340.db2.gz AYQUSEOJFZAIPI-UHFFFAOYSA-N 2 2 296.415 0.148 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)NCC23CC(C2)C[NH2+]3)CCO1 ZINC000659447003 413505352 /nfs/dbraw/zinc/50/53/52/413505352.db2.gz AYQUSEOJFZAIPI-UHFFFAOYSA-N 2 2 296.415 0.148 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000659471598 413530179 /nfs/dbraw/zinc/53/01/79/413530179.db2.gz BGMPIQVEKDTBQN-NEPJUHHUSA-N 2 2 277.372 0.567 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c2[nH+]ccn21 ZINC000659501343 413557331 /nfs/dbraw/zinc/55/73/31/413557331.db2.gz KNEHPCSDWRHGRC-DBIOUOCHSA-N 2 2 281.335 0.970 20 0 CCADLP C[C@H](CCC[NH3+])NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659554569 413647017 /nfs/dbraw/zinc/64/70/17/413647017.db2.gz ULNNJGGVAJKWKT-OLZOCXBDSA-N 2 2 284.404 0.230 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659536626 413622719 /nfs/dbraw/zinc/62/27/19/413622719.db2.gz IJSBICCCOZAOOW-RDBSUJKOSA-N 2 2 296.415 0.101 20 0 CCADLP CC(C)N1C(=O)N[C@@H]2C[N@@H+](CCn3cc[nH+]c3)CC[C@@H]21 ZINC000285772579 196393856 /nfs/dbraw/zinc/39/38/56/196393856.db2.gz BMBJQBSMVMPRPH-OLZOCXBDSA-N 2 2 277.372 0.760 20 0 CCADLP CC(C)N1C(=O)N[C@@H]2C[N@H+](CCn3cc[nH+]c3)CC[C@@H]21 ZINC000285772579 196393857 /nfs/dbraw/zinc/39/38/57/196393857.db2.gz BMBJQBSMVMPRPH-OLZOCXBDSA-N 2 2 277.372 0.760 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)Nc2cnccn2)C1 ZINC000660129293 414138410 /nfs/dbraw/zinc/13/84/10/414138410.db2.gz PORVLXXJXXWGLN-NSHDSACASA-N 2 2 286.339 0.638 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)Nc2cnccn2)C1 ZINC000660129293 414138415 /nfs/dbraw/zinc/13/84/15/414138415.db2.gz PORVLXXJXXWGLN-NSHDSACASA-N 2 2 286.339 0.638 20 0 CCADLP CCN1CC[C@@H]([N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1=O ZINC000660128858 414140648 /nfs/dbraw/zinc/14/06/48/414140648.db2.gz NVIBLNKOKNGQJV-VXGBXAGGSA-N 2 2 262.357 0.830 20 0 CCADLP CCN1CC[C@@H]([N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1=O ZINC000660128858 414140658 /nfs/dbraw/zinc/14/06/58/414140658.db2.gz NVIBLNKOKNGQJV-VXGBXAGGSA-N 2 2 262.357 0.830 20 0 CCADLP CCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@H]1CC(=O)N(C)C1=O ZINC000660485228 414353232 /nfs/dbraw/zinc/35/32/32/414353232.db2.gz DLMGMFUOFDRODI-STQMWFEESA-N 2 2 299.415 0.157 20 0 CCADLP CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@H]1CC(=O)N(C)C1=O ZINC000660485228 414353237 /nfs/dbraw/zinc/35/32/37/414353237.db2.gz DLMGMFUOFDRODI-STQMWFEESA-N 2 2 299.415 0.157 20 0 CCADLP CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)[C@H]1CC(=O)N(C)C1=O ZINC000660485228 414353242 /nfs/dbraw/zinc/35/32/42/414353242.db2.gz DLMGMFUOFDRODI-STQMWFEESA-N 2 2 299.415 0.157 20 0 CCADLP CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)[C@H]1CC(=O)N(C)C1=O ZINC000660485228 414353249 /nfs/dbraw/zinc/35/32/49/414353249.db2.gz DLMGMFUOFDRODI-STQMWFEESA-N 2 2 299.415 0.157 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660589620 414407277 /nfs/dbraw/zinc/40/72/77/414407277.db2.gz WZDLDUKSRISUTJ-CQSZACIVSA-N 2 2 298.431 0.443 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660589620 414407281 /nfs/dbraw/zinc/40/72/81/414407281.db2.gz WZDLDUKSRISUTJ-CQSZACIVSA-N 2 2 298.431 0.443 20 0 CCADLP CCN(C)C(=O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660659786 414434094 /nfs/dbraw/zinc/43/40/94/414434094.db2.gz QWNANCHBYDKUMD-CQSZACIVSA-N 2 2 253.390 0.882 20 0 CCADLP CCN(C)C(=O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660659786 414434098 /nfs/dbraw/zinc/43/40/98/414434098.db2.gz QWNANCHBYDKUMD-CQSZACIVSA-N 2 2 253.390 0.882 20 0 CCADLP CCN(C)C(=O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660659786 414434100 /nfs/dbraw/zinc/43/41/00/414434100.db2.gz QWNANCHBYDKUMD-CQSZACIVSA-N 2 2 253.390 0.882 20 0 CCADLP CCN(C)C(=O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660659786 414434106 /nfs/dbraw/zinc/43/41/06/414434106.db2.gz QWNANCHBYDKUMD-CQSZACIVSA-N 2 2 253.390 0.882 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[N@H+](CCO)C[C@H]2C)C[C@@H](C)O1 ZINC000660759366 414475867 /nfs/dbraw/zinc/47/58/67/414475867.db2.gz GISCNVVHCXRCGC-RBSFLKMASA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H](NC(=O)NC1CC[NH+](C)CC1)c1[nH+]ccn1C ZINC000660822968 414490253 /nfs/dbraw/zinc/49/02/53/414490253.db2.gz WWUATDZDTJGHIH-SNVBAGLBSA-N 2 2 265.361 0.875 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CCF)C1 ZINC000661689915 414664335 /nfs/dbraw/zinc/66/43/35/414664335.db2.gz LSNSXPSFAWRDIY-UONOGXRCSA-N 2 2 276.396 0.997 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CCF)C1 ZINC000661689915 414664337 /nfs/dbraw/zinc/66/43/37/414664337.db2.gz LSNSXPSFAWRDIY-UONOGXRCSA-N 2 2 276.396 0.997 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000661689915 414664338 /nfs/dbraw/zinc/66/43/38/414664338.db2.gz LSNSXPSFAWRDIY-UONOGXRCSA-N 2 2 276.396 0.997 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](CCF)C1 ZINC000661689915 414664340 /nfs/dbraw/zinc/66/43/40/414664340.db2.gz LSNSXPSFAWRDIY-UONOGXRCSA-N 2 2 276.396 0.997 20 0 CCADLP C[NH2+]CC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000040428819 174258749 /nfs/dbraw/zinc/25/87/49/174258749.db2.gz UMORPAWTIHVMQR-CYBMUJFWSA-N 2 2 258.325 0.845 20 0 CCADLP FC(F)(F)CN1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662260595 414701890 /nfs/dbraw/zinc/70/18/90/414701890.db2.gz NGFLFTHOWOFHEG-LLVKDONJSA-N 2 2 293.333 0.687 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000662273928 414704000 /nfs/dbraw/zinc/70/40/00/414704000.db2.gz BKLUGOFEZKNYIN-UONOGXRCSA-N 3 2 253.390 0.439 20 0 CCADLP c1nnc([C@@H]2CCC[N@@H+](C[C@H]3C[NH2+]CCO3)C2)n1C1CC1 ZINC000662276714 414704502 /nfs/dbraw/zinc/70/45/02/414704502.db2.gz LITKCEFADBOKHV-TZMCWYRMSA-N 2 2 291.399 0.781 20 0 CCADLP c1nnc([C@@H]2CCC[N@H+](C[C@H]3C[NH2+]CCO3)C2)n1C1CC1 ZINC000662276714 414704503 /nfs/dbraw/zinc/70/45/03/414704503.db2.gz LITKCEFADBOKHV-TZMCWYRMSA-N 2 2 291.399 0.781 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000662282722 414705544 /nfs/dbraw/zinc/70/55/44/414705544.db2.gz JTKSSJLUTBSJSP-HZSPNIEDSA-N 2 2 254.374 0.866 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000662282722 414705545 /nfs/dbraw/zinc/70/55/45/414705545.db2.gz JTKSSJLUTBSJSP-HZSPNIEDSA-N 2 2 254.374 0.866 20 0 CCADLP CCN(C(=O)C[NH2+]C1(CO)CC[NH2+]CC1)C1CCCCC1 ZINC000662286390 414706490 /nfs/dbraw/zinc/70/64/90/414706490.db2.gz TYRHKLFAHDRKHP-UHFFFAOYSA-N 2 2 297.443 0.872 20 0 CCADLP C[C@H](C1CC1)N(C(=O)C[NH2+]C1(CO)CC[NH2+]CC1)C1CC1 ZINC000662285918 414706529 /nfs/dbraw/zinc/70/65/29/414706529.db2.gz AHEYUNVXEMQULF-GFCCVEGCSA-N 2 2 295.427 0.480 20 0 CCADLP Cc1cc(C)cc(NC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)c1 ZINC000662285880 414706935 /nfs/dbraw/zinc/70/69/35/414706935.db2.gz KOOFJRGPGKOROL-UHFFFAOYSA-N 2 2 291.395 0.946 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000662343999 414711388 /nfs/dbraw/zinc/71/13/88/414711388.db2.gz OHXKNZDPBWFUTQ-GFCCVEGCSA-N 2 2 262.357 0.728 20 0 CCADLP Cc1cc(C)cc(C[N@H+](CC[NH3+])C[C@H](O)CO)c1 ZINC000662289575 414706953 /nfs/dbraw/zinc/70/69/53/414706953.db2.gz ZHIAUIKJGYYOOE-AWEZNQCLSA-N 2 2 252.358 0.417 20 0 CCADLP Cc1cc(C)cc(C[N@@H+](CC[NH3+])C[C@H](O)CO)c1 ZINC000662289575 414706954 /nfs/dbraw/zinc/70/69/54/414706954.db2.gz ZHIAUIKJGYYOOE-AWEZNQCLSA-N 2 2 252.358 0.417 20 0 CCADLP [NH3+]CC[N@H+](CCc1ccc2ccccc2c1)C[C@@H](O)CO ZINC000662287906 414706981 /nfs/dbraw/zinc/70/69/81/414706981.db2.gz CKHMBBUZVZPSEM-QGZVFWFLSA-N 2 2 288.391 0.996 20 0 CCADLP [NH3+]CC[N@@H+](CCc1ccc2ccccc2c1)C[C@@H](O)CO ZINC000662287906 414706982 /nfs/dbraw/zinc/70/69/82/414706982.db2.gz CKHMBBUZVZPSEM-QGZVFWFLSA-N 2 2 288.391 0.996 20 0 CCADLP CCc1ccc(C[N@H+](CC[NH3+])C[C@H](O)CO)cc1 ZINC000662287919 414707089 /nfs/dbraw/zinc/70/70/89/414707089.db2.gz CXUGPKWKLGSIQR-AWEZNQCLSA-N 2 2 252.358 0.363 20 0 CCADLP CCc1ccc(C[N@@H+](CC[NH3+])C[C@H](O)CO)cc1 ZINC000662287919 414707090 /nfs/dbraw/zinc/70/70/90/414707090.db2.gz CXUGPKWKLGSIQR-AWEZNQCLSA-N 2 2 252.358 0.363 20 0 CCADLP C[NH+](C)CCC[C@@H]1C[N@H+](CC(=O)NCC2CCC2)CCO1 ZINC000662320332 414709498 /nfs/dbraw/zinc/70/94/98/414709498.db2.gz BCBCMDRXXZPOOA-OAHLLOKOSA-N 2 2 297.443 0.945 20 0 CCADLP C[NH+](C)CCC[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)CCO1 ZINC000662320332 414709499 /nfs/dbraw/zinc/70/94/99/414709499.db2.gz BCBCMDRXXZPOOA-OAHLLOKOSA-N 2 2 297.443 0.945 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H]3C[C@H]3C2)CC1 ZINC000661971592 414685578 /nfs/dbraw/zinc/68/55/78/414685578.db2.gz JQZRKRIYFOYCRY-IHRRRGAJSA-N 2 2 265.401 0.881 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H]3C[C@H]3C2)CC1 ZINC000661971592 414685579 /nfs/dbraw/zinc/68/55/79/414685579.db2.gz JQZRKRIYFOYCRY-IHRRRGAJSA-N 2 2 265.401 0.881 20 0 CCADLP O[C@@H](C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)CC(F)(F)F ZINC000662151208 414693746 /nfs/dbraw/zinc/69/37/46/414693746.db2.gz GDYJCJHJHAEDOP-VXGBXAGGSA-N 2 2 296.333 0.831 20 0 CCADLP O[C@@H](C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)CC(F)(F)F ZINC000662151208 414693747 /nfs/dbraw/zinc/69/37/47/414693747.db2.gz GDYJCJHJHAEDOP-VXGBXAGGSA-N 2 2 296.333 0.831 20 0 CCADLP O=C([C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1)N1CCCC1 ZINC000662254488 414700262 /nfs/dbraw/zinc/70/02/62/414700262.db2.gz IVGYDIOBZVRFHS-KGLIPLIRSA-N 2 2 281.400 0.309 20 0 CCADLP O=C([C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1)N1CCCC1 ZINC000662254488 414700263 /nfs/dbraw/zinc/70/02/63/414700263.db2.gz IVGYDIOBZVRFHS-KGLIPLIRSA-N 2 2 281.400 0.309 20 0 CCADLP C[C@H]1C(=O)NCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662255438 414700845 /nfs/dbraw/zinc/70/08/45/414700845.db2.gz YOYILRKQTNCWPL-NSHDSACASA-N 2 2 259.353 0.653 20 0 CCADLP C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662255438 414700846 /nfs/dbraw/zinc/70/08/46/414700846.db2.gz YOYILRKQTNCWPL-NSHDSACASA-N 2 2 259.353 0.653 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662742574 414750673 /nfs/dbraw/zinc/75/06/73/414750673.db2.gz DWURQFJSBOSVIV-NEPJUHHUSA-N 2 2 280.372 0.519 20 0 CCADLP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000662428322 414717485 /nfs/dbraw/zinc/71/74/85/414717485.db2.gz IKBQTWABWSQRQW-QWHCGFSZSA-N 3 2 270.421 0.099 20 0 CCADLP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000662428322 414717486 /nfs/dbraw/zinc/71/74/86/414717486.db2.gz IKBQTWABWSQRQW-QWHCGFSZSA-N 3 2 270.421 0.099 20 0 CCADLP CCc1c[nH]c(=O)c(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000662428556 414717640 /nfs/dbraw/zinc/71/76/40/414717640.db2.gz JGYYLTBZNXPCBB-LLVKDONJSA-N 2 2 278.356 0.065 20 0 CCADLP CCc1c[nH]c(=O)c(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000662428556 414717641 /nfs/dbraw/zinc/71/76/41/414717641.db2.gz JGYYLTBZNXPCBB-LLVKDONJSA-N 2 2 278.356 0.065 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)c3cn(CC[NH3+])nn3)cn21 ZINC000662452465 414719652 /nfs/dbraw/zinc/71/96/52/414719652.db2.gz KJKKDOYKEXFBSY-UHFFFAOYSA-N 2 2 299.338 0.123 20 0 CCADLP C[C@H]([NH3+])CCC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000662630432 414734830 /nfs/dbraw/zinc/73/48/30/414734830.db2.gz FJEFDAJNJFLUEK-LBPRGKRZSA-N 3 2 258.410 0.114 20 0 CCADLP C[C@H]([NH3+])CCC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000662630432 414734831 /nfs/dbraw/zinc/73/48/31/414734831.db2.gz FJEFDAJNJFLUEK-LBPRGKRZSA-N 3 2 258.410 0.114 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CC23CC[NH2+]CC3)[C@@H](C)CO1 ZINC000662633477 414735587 /nfs/dbraw/zinc/73/55/87/414735587.db2.gz LELWVFBMXUWSEH-BFHYXJOUSA-N 2 2 295.427 0.602 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CC23CC[NH2+]CC3)[C@@H](C)CO1 ZINC000662633477 414735588 /nfs/dbraw/zinc/73/55/88/414735588.db2.gz LELWVFBMXUWSEH-BFHYXJOUSA-N 2 2 295.427 0.602 20 0 CCADLP [NH3+][C@@H](C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)C1CCC1 ZINC000662656985 414737570 /nfs/dbraw/zinc/73/75/70/414737570.db2.gz VRXAAARIXZWOEM-CHWSQXEVSA-N 2 2 267.373 0.047 20 0 CCADLP CC1(C)CC[NH2+][C@H]1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000662672834 414739623 /nfs/dbraw/zinc/73/96/23/414739623.db2.gz FGLIHTBYSGHAIV-LBPRGKRZSA-N 2 2 251.374 0.681 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662673758 414739847 /nfs/dbraw/zinc/73/98/47/414739847.db2.gz PXUWAQRICAXHKQ-UHFFFAOYSA-N 2 2 295.427 0.842 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662683856 414740866 /nfs/dbraw/zinc/74/08/66/414740866.db2.gz VWLZJOGDYJYVDS-VXGBXAGGSA-N 2 2 269.389 0.211 20 0 CCADLP O=C(C[NH2+]C1CC1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662703315 414743715 /nfs/dbraw/zinc/74/37/15/414743715.db2.gz JUPFZAGLAMLNOR-UHFFFAOYSA-N 2 2 281.400 0.309 20 0 CCADLP C[NH2+]CCCC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662704201 414743743 /nfs/dbraw/zinc/74/37/43/414743743.db2.gz WDNAKHCIGRGSJA-UHFFFAOYSA-N 2 2 283.416 0.557 20 0 CCADLP [NH3+]C1(CC(=O)N(CC[NH+]2CCOCC2)CC2CC2)CCC1 ZINC000662703480 414743912 /nfs/dbraw/zinc/74/39/12/414743912.db2.gz KHJYPLFITRFSCV-UHFFFAOYSA-N 2 2 295.427 0.829 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[C@@H](Oc2ccccc2)C1 ZINC000662712861 414745376 /nfs/dbraw/zinc/74/53/76/414745376.db2.gz MFGZACYAPBTMOM-CABCVRRESA-N 2 2 291.395 0.945 20 0 CCADLP O=C(NCC12CC(C1)C[NH2+]2)c1ccc2[nH+]ccn2c1 ZINC000662719518 414745983 /nfs/dbraw/zinc/74/59/83/414745983.db2.gz DXKDMJVGSKJCIW-UHFFFAOYSA-N 2 2 256.309 0.816 20 0 CCADLP C[C@H](NC(=O)[C@H]1[NH2+]CCC1(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000662720463 414746234 /nfs/dbraw/zinc/74/62/34/414746234.db2.gz DUFAKOSPYPWYDG-RWMBFGLXSA-N 2 2 283.416 0.600 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662788021 414795069 /nfs/dbraw/zinc/79/50/69/414795069.db2.gz GBAWYFLOJSLFRJ-LBPRGKRZSA-N 2 2 269.389 0.165 20 0 CCADLP O=C(NCc1ccc[nH+]c1N1CCCC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000662850139 414840011 /nfs/dbraw/zinc/84/00/11/414840011.db2.gz NVYKEKWBJHAJQK-WDNDVIMCSA-N 2 2 286.379 0.763 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000662858665 414848818 /nfs/dbraw/zinc/84/88/18/414848818.db2.gz HHSNITHXOFRVNO-GRYCIOLGSA-N 2 2 271.405 0.585 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000662858665 414848821 /nfs/dbraw/zinc/84/88/21/414848821.db2.gz HHSNITHXOFRVNO-GRYCIOLGSA-N 2 2 271.405 0.585 20 0 CCADLP C[C@]1(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CCC[NH2+]C1 ZINC000662870349 414854377 /nfs/dbraw/zinc/85/43/77/414854377.db2.gz DZDIDJPYBQKWBF-ZFWWWQNUSA-N 2 2 281.400 0.309 20 0 CCADLP Nc1cc[nH+]cc1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662870720 414855998 /nfs/dbraw/zinc/85/59/98/414855998.db2.gz MIZCURRCZXAONF-NSHDSACASA-N 2 2 276.340 0.041 20 0 CCADLP Cc1cc2nccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)n2n1 ZINC000662992729 414939015 /nfs/dbraw/zinc/93/90/15/414939015.db2.gz ILXVAKDHBNPLLB-SNVBAGLBSA-N 2 2 276.344 0.255 20 0 CCADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1COCC[NH2+]1 ZINC000662886692 414870160 /nfs/dbraw/zinc/87/01/60/414870160.db2.gz KJMKZTQUEWDNJQ-STQMWFEESA-N 2 2 269.389 0.211 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899091 414879685 /nfs/dbraw/zinc/87/96/85/414879685.db2.gz AWNWVLUEMDDXBE-LSDHHAIUSA-N 3 2 296.459 0.597 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899091 414879689 /nfs/dbraw/zinc/87/96/89/414879689.db2.gz AWNWVLUEMDDXBE-LSDHHAIUSA-N 3 2 296.459 0.597 20 0 CCADLP CC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899503 414879866 /nfs/dbraw/zinc/87/98/66/414879866.db2.gz DQIAHSNLAQGKNR-ZIAGYGMSSA-N 3 2 282.432 0.351 20 0 CCADLP CC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899503 414879869 /nfs/dbraw/zinc/87/98/69/414879869.db2.gz DQIAHSNLAQGKNR-ZIAGYGMSSA-N 3 2 282.432 0.351 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H]1CSC[NH2+]1 ZINC000662899242 414881324 /nfs/dbraw/zinc/88/13/24/414881324.db2.gz DUKGQPPCYWSJMW-RKDXNWHRSA-N 2 2 254.359 0.743 20 0 CCADLP C[C@H](C[NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662901838 414882076 /nfs/dbraw/zinc/88/20/76/414882076.db2.gz ZXGYXHVAOJKVEJ-OCCSQVGLSA-N 3 2 282.432 0.208 20 0 CCADLP C[C@H](C[NH3+])C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662901838 414882082 /nfs/dbraw/zinc/88/20/82/414882082.db2.gz ZXGYXHVAOJKVEJ-OCCSQVGLSA-N 3 2 282.432 0.208 20 0 CCADLP C[C@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1[nH+]ccn1C ZINC000662934005 414901779 /nfs/dbraw/zinc/90/17/79/414901779.db2.gz LMXYGAXSHOPAFK-VHSXEESVSA-N 2 2 268.386 0.692 20 0 CCADLP C[C@H](NC[C@@H](O)C[N@H+](C)C1CC1)c1[nH+]ccn1C ZINC000663380746 415055740 /nfs/dbraw/zinc/05/57/40/415055740.db2.gz ZOWPSKQEWHWDOS-CMPLNLGQSA-N 2 2 252.362 0.526 20 0 CCADLP C[C@H](NC[C@@H](O)C[N@@H+](C)C1CC1)c1[nH+]ccn1C ZINC000663380746 415055746 /nfs/dbraw/zinc/05/57/46/415055746.db2.gz ZOWPSKQEWHWDOS-CMPLNLGQSA-N 2 2 252.362 0.526 20 0 CCADLP C[C@@H](CC(=O)N1CCOC2(C[NH2+]C2)C1)n1cc[nH+]c1 ZINC000663492843 415076345 /nfs/dbraw/zinc/07/63/45/415076345.db2.gz VDGVMXVSJHNWSM-NSHDSACASA-N 2 2 264.329 0.035 20 0 CCADLP C([NH2+]C[C@@H]1CCC[NH2+]C1)c1nc2c(s1)C[NH2+]CC2 ZINC000663493741 415076466 /nfs/dbraw/zinc/07/64/66/415076466.db2.gz JGQQRUJQUCMQKS-SNVBAGLBSA-N 3 2 266.414 0.878 20 0 CCADLP COc1c(N)[nH+]cnc1N1CCC2(CC[NH2+]C2)CC1 ZINC000663239843 415026569 /nfs/dbraw/zinc/02/65/69/415026569.db2.gz VCVVISHZSYNYER-UHFFFAOYSA-N 2 2 263.345 0.647 20 0 CCADLP COc1c(N)nc[nH+]c1N1CCC2(CC[NH2+]C2)CC1 ZINC000663239843 415026574 /nfs/dbraw/zinc/02/65/74/415026574.db2.gz VCVVISHZSYNYER-UHFFFAOYSA-N 2 2 263.345 0.647 20 0 CCADLP [NH3+][C@@H]1CN(c2cc(N3CCSCC3)[nH+]cn2)CC[C@H]1F ZINC000663276474 415033870 /nfs/dbraw/zinc/03/38/70/415033870.db2.gz ZETXLXYWFVZNLB-GHMZBOCLSA-N 2 2 297.403 0.905 20 0 CCADLP c1cc2c(nc[nH+]c2N2CC(C[NH+]3CCOCC3)C2)[nH]1 ZINC000663928621 415174556 /nfs/dbraw/zinc/17/45/56/415174556.db2.gz LTYHBGMCOLETGU-UHFFFAOYSA-N 2 2 273.340 0.726 20 0 CCADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@@H]1C[NH2+]CCO1 ZINC000043710874 175103642 /nfs/dbraw/zinc/10/36/42/175103642.db2.gz HHKHDARRNDNUKY-ZDUSSCGKSA-N 2 2 272.308 0.799 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)NCC[NH+](C)C2CC2)[C@@H](C)CO1 ZINC000664094520 415241033 /nfs/dbraw/zinc/24/10/33/415241033.db2.gz MQXZHAGLHNTFRU-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)NCC[NH+](C)C2CC2)[C@@H](C)CO1 ZINC000664094520 415241035 /nfs/dbraw/zinc/24/10/35/415241035.db2.gz MQXZHAGLHNTFRU-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)NCC[N@H+](C)C2CC2)[C@@H](C)CO1 ZINC000664094520 415241039 /nfs/dbraw/zinc/24/10/39/415241039.db2.gz MQXZHAGLHNTFRU-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)NCC[N@@H+](C)C2CC2)[C@@H](C)CO1 ZINC000664094520 415241040 /nfs/dbraw/zinc/24/10/40/415241040.db2.gz MQXZHAGLHNTFRU-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1cn[nH]c1 ZINC000664535989 415411429 /nfs/dbraw/zinc/41/14/29/415411429.db2.gz SWSSDBJECGDKLC-LBPRGKRZSA-N 2 2 296.419 0.653 20 0 CCADLP C[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1cn[nH]c1 ZINC000664535989 415411434 /nfs/dbraw/zinc/41/14/34/415411434.db2.gz SWSSDBJECGDKLC-LBPRGKRZSA-N 2 2 296.419 0.653 20 0 CCADLP C[C@@H](CCNC(=O)NCCc1cn(C)c[nH+]1)[NH+](C)C ZINC000665109386 415537809 /nfs/dbraw/zinc/53/78/09/415537809.db2.gz KTUUQVLKDPYHID-NSHDSACASA-N 2 2 267.377 0.602 20 0 CCADLP CO[C@H](C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1)[C@H]1CCOC1 ZINC000665234733 415572389 /nfs/dbraw/zinc/57/23/89/415572389.db2.gz JLWAEVWZLVVEBX-ZOBORPQBSA-N 2 2 272.389 0.395 20 0 CCADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1CC[NH2+]C1 ZINC000665275455 415584123 /nfs/dbraw/zinc/58/41/23/415584123.db2.gz LAWBSPKVNJASTL-KCQAQPDRSA-N 3 2 267.417 0.827 20 0 CCADLP CCn1nccc1C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000665299752 415592452 /nfs/dbraw/zinc/59/24/52/415592452.db2.gz RZIIPZWCEQJONG-NEPJUHHUSA-N 2 2 252.362 0.760 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NCc2ccc(F)cc2)C1 ZINC000071147239 176043490 /nfs/dbraw/zinc/04/34/90/176043490.db2.gz QGRWYGPUFYTOQK-CYBMUJFWSA-N 2 2 279.359 0.983 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(F)cc2)C1 ZINC000071147239 176043492 /nfs/dbraw/zinc/04/34/92/176043492.db2.gz QGRWYGPUFYTOQK-CYBMUJFWSA-N 2 2 279.359 0.983 20 0 CCADLP COCC[NH+]1CCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000665689643 416474680 /nfs/dbraw/zinc/47/46/80/416474680.db2.gz DCXNZDBJDBKGEW-UHFFFAOYSA-N 2 2 279.344 0.049 20 0 CCADLP C[C@@H]1CN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC[NH2+]1 ZINC000334893039 225351938 /nfs/dbraw/zinc/35/19/38/225351938.db2.gz QGTHUZAOVXKTHP-GFCCVEGCSA-N 2 2 291.399 0.765 20 0 CCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC000423779319 533683068 /nfs/dbraw/zinc/68/30/68/533683068.db2.gz FFTKBSKAOKGKKH-FZMZJTMJSA-N 2 2 297.399 0.210 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000085356569 544492691 /nfs/dbraw/zinc/49/26/91/544492691.db2.gz AQZDBTIBDUCIAX-QWHCGFSZSA-N 2 2 274.368 0.858 20 0 CCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)COCC[NH3+] ZINC000093231905 544540366 /nfs/dbraw/zinc/54/03/66/544540366.db2.gz GWQOTXXIPJCBHY-UHFFFAOYSA-N 2 2 276.340 0.436 20 0 CCADLP [NH3+]Cc1ccc(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)o1 ZINC000094567722 544546224 /nfs/dbraw/zinc/54/62/24/544546224.db2.gz JETCQJLVTXBGCZ-CYBMUJFWSA-N 2 2 293.367 0.675 20 0 CCADLP O=C(NCc1c[nH+]c[nH]1)[C@H]1[NH2+]CCc2ccccc21 ZINC000088751053 544510341 /nfs/dbraw/zinc/51/03/41/544510341.db2.gz OMQVDFKQQJRFLA-ZDUSSCGKSA-N 2 2 256.309 0.913 20 0 CCADLP O=C(NCc1c[nH]c[nH+]1)[C@H]1[NH2+]CCc2ccccc21 ZINC000088751053 544510343 /nfs/dbraw/zinc/51/03/43/544510343.db2.gz OMQVDFKQQJRFLA-ZDUSSCGKSA-N 2 2 256.309 0.913 20 0 CCADLP O=C(NCCn1cc[nH+]c1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111246127 544561769 /nfs/dbraw/zinc/56/17/69/544561769.db2.gz RPCUFNKQJLTOEV-SNVBAGLBSA-N 2 2 276.262 0.541 20 0 CCADLP Cc1nc(N2CCC([N@H+](C)CCCO)CC2)nc(N)[nH+]1 ZINC000631120257 419470445 /nfs/dbraw/zinc/47/04/45/419470445.db2.gz UPRDAKWSQXPQDZ-UHFFFAOYSA-N 2 2 280.376 0.045 20 0 CCADLP Cc1nc(N2CCC([N@@H+](C)CCCO)CC2)nc(N)[nH+]1 ZINC000631120257 419470455 /nfs/dbraw/zinc/47/04/55/419470455.db2.gz UPRDAKWSQXPQDZ-UHFFFAOYSA-N 2 2 280.376 0.045 20 0 CCADLP Cc1nc(N)nc(N2CCC([N@H+](C)CCCO)CC2)[nH+]1 ZINC000631120257 419470468 /nfs/dbraw/zinc/47/04/68/419470468.db2.gz UPRDAKWSQXPQDZ-UHFFFAOYSA-N 2 2 280.376 0.045 20 0 CCADLP Cc1nc(N)nc(N2CCC([N@@H+](C)CCCO)CC2)[nH+]1 ZINC000631120257 419470480 /nfs/dbraw/zinc/47/04/80/419470480.db2.gz UPRDAKWSQXPQDZ-UHFFFAOYSA-N 2 2 280.376 0.045 20 0 CCADLP O=C(NCCn1cc[nH+]c1)c1cccc2c1CC[NH2+]C2 ZINC000124218096 544587041 /nfs/dbraw/zinc/58/70/41/544587041.db2.gz ZORDLDMOPPWDCD-UHFFFAOYSA-N 2 2 270.336 0.959 20 0 CCADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cccc(-n2cnnn2)c1 ZINC000154239637 544669605 /nfs/dbraw/zinc/66/96/05/544669605.db2.gz BTYBUEGZWBSEGW-FZMZJTMJSA-N 2 2 290.371 0.235 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)S(C)(=O)=O)CC[N@@H+]1C ZINC000156610906 544679922 /nfs/dbraw/zinc/67/99/22/544679922.db2.gz SZEWEWILOIOHMJ-QWRGUYRKSA-N 2 2 262.419 0.882 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)S(C)(=O)=O)CC[N@H+]1C ZINC000156610906 544679926 /nfs/dbraw/zinc/67/99/26/544679926.db2.gz SZEWEWILOIOHMJ-QWRGUYRKSA-N 2 2 262.419 0.882 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000228921631 544845969 /nfs/dbraw/zinc/84/59/69/544845969.db2.gz IIJPLGRJFMHHKL-IFUGULHKSA-N 2 2 292.383 0.901 20 0 CCADLP C[NH2+][C@@H]1CCN(Cc2[nH+]ccc(OC)c2OC)C1 ZINC000232198078 544862680 /nfs/dbraw/zinc/86/26/80/544862680.db2.gz BFODEGKDGUUFIT-SNVBAGLBSA-N 2 2 251.330 0.893 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CC(C)(C)O)C2)CC1 ZINC000684281962 545639736 /nfs/dbraw/zinc/63/97/36/545639736.db2.gz UILUKTWIPLFWRF-LBPRGKRZSA-N 2 2 283.416 0.432 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CC(C)(C)O)C2)CC1 ZINC000684281962 545639741 /nfs/dbraw/zinc/63/97/41/545639741.db2.gz UILUKTWIPLFWRF-LBPRGKRZSA-N 2 2 283.416 0.432 20 0 CCADLP CC[NH+]1CCN(CCNc2nc(C)[nH+]c(N(C)C)n2)CC1 ZINC000488416138 420308114 /nfs/dbraw/zinc/30/81/14/420308114.db2.gz KEIZKJNQAPJTJI-UHFFFAOYSA-N 2 2 293.419 0.295 20 0 CCADLP [NH3+]Cc1nc(Cn2c3ccccc3[nH+]c2NCCO)no1 ZINC000518771431 420381791 /nfs/dbraw/zinc/38/17/91/420381791.db2.gz OKFHZDUKDYDHJO-UHFFFAOYSA-N 2 2 288.311 0.331 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000280046679 544957199 /nfs/dbraw/zinc/95/71/99/544957199.db2.gz VXYSHDRCYMEVJQ-ZWNOBZJWSA-N 2 2 262.357 0.941 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000280046679 544957202 /nfs/dbraw/zinc/95/72/02/544957202.db2.gz VXYSHDRCYMEVJQ-ZWNOBZJWSA-N 2 2 262.357 0.941 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000280046679 544957204 /nfs/dbraw/zinc/95/72/04/544957204.db2.gz VXYSHDRCYMEVJQ-ZWNOBZJWSA-N 2 2 262.357 0.941 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000280046679 544957206 /nfs/dbraw/zinc/95/72/06/544957206.db2.gz VXYSHDRCYMEVJQ-ZWNOBZJWSA-N 2 2 262.357 0.941 20 0 CCADLP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000305837541 545009483 /nfs/dbraw/zinc/00/94/83/545009483.db2.gz QAMFQHXWMJRSBX-CMPLNLGQSA-N 2 2 252.362 0.825 20 0 CCADLP C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000333934839 545044622 /nfs/dbraw/zinc/04/46/22/545044622.db2.gz IVRICTBSYIWZPC-MELADBBJSA-N 2 2 298.431 0.394 20 0 CCADLP CN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1C[NH+]2CCC1CC2 ZINC000330011541 545028358 /nfs/dbraw/zinc/02/83/58/545028358.db2.gz JBZZVUQACIPDQE-CYBMUJFWSA-N 2 2 262.357 0.895 20 0 CCADLP CN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1C[NH+]2CCC1CC2 ZINC000330011541 545028359 /nfs/dbraw/zinc/02/83/59/545028359.db2.gz JBZZVUQACIPDQE-CYBMUJFWSA-N 2 2 262.357 0.895 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000332771012 545033653 /nfs/dbraw/zinc/03/36/53/545033653.db2.gz OXMPVLJGAGBEEX-QWHCGFSZSA-N 2 2 292.383 0.282 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000332771012 545033655 /nfs/dbraw/zinc/03/36/55/545033655.db2.gz OXMPVLJGAGBEEX-QWHCGFSZSA-N 2 2 292.383 0.282 20 0 CCADLP C[C@H](CC[N@@H+]1CC[C@@](F)(CO)C1)[NH+]1CC[C@](F)(CO)C1 ZINC000338590151 545052579 /nfs/dbraw/zinc/05/25/79/545052579.db2.gz CVQYJRMQDQRAMF-HZSPNIEDSA-N 2 2 292.370 0.578 20 0 CCADLP C[C@H](CC[N@H+]1CC[C@@](F)(CO)C1)[NH+]1CC[C@](F)(CO)C1 ZINC000338590151 545052581 /nfs/dbraw/zinc/05/25/81/545052581.db2.gz CVQYJRMQDQRAMF-HZSPNIEDSA-N 2 2 292.370 0.578 20 0 CCADLP C[C@H](CC[NH+]1CC[C@@](F)(CO)C1)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338590151 545052582 /nfs/dbraw/zinc/05/25/82/545052582.db2.gz CVQYJRMQDQRAMF-HZSPNIEDSA-N 2 2 292.370 0.578 20 0 CCADLP C[C@H](CC[NH+]1CC[C@@](F)(CO)C1)[N@H+]1CC[C@](F)(CO)C1 ZINC000338590151 545052583 /nfs/dbraw/zinc/05/25/83/545052583.db2.gz CVQYJRMQDQRAMF-HZSPNIEDSA-N 2 2 292.370 0.578 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)CCCC[NH+]1CCOCC1 ZINC000356768111 545077767 /nfs/dbraw/zinc/07/77/67/545077767.db2.gz SHFSBKAKLWAQPI-UHFFFAOYSA-N 2 2 280.372 0.539 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)CCCC[NH+](C)C ZINC000519011902 265295692 /nfs/dbraw/zinc/29/56/92/265295692.db2.gz CTCBVCFCKQRNDS-UHFFFAOYSA-N 2 2 271.405 0.509 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000522138395 265399187 /nfs/dbraw/zinc/39/91/87/265399187.db2.gz BCYQVHGZCRCBMH-YNEHKIRRSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000522138395 265399191 /nfs/dbraw/zinc/39/91/91/265399191.db2.gz BCYQVHGZCRCBMH-YNEHKIRRSA-N 2 2 269.389 0.164 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CCNS(C)(=O)=O)C[C@@H]1C ZINC000407949915 279398139 /nfs/dbraw/zinc/39/81/39/279398139.db2.gz WLYDNXNFCZGJOW-NWDGAFQWSA-N 2 2 277.434 0.340 20 0 CCADLP CCN(C)CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000262001678 276071634 /nfs/dbraw/zinc/07/16/34/276071634.db2.gz URDMIRMOKVDVGM-MCIONIFRSA-N 2 2 255.406 0.685 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)N2CCCC[C@H]2C[NH3+])CCO1 ZINC000417429148 276132329 /nfs/dbraw/zinc/13/23/29/276132329.db2.gz UGSQEHZSQKLRGZ-ZDUSSCGKSA-N 2 2 298.431 0.620 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)N2CCCC[C@H]2C[NH3+])CCO1 ZINC000417429148 276132332 /nfs/dbraw/zinc/13/23/32/276132332.db2.gz UGSQEHZSQKLRGZ-ZDUSSCGKSA-N 2 2 298.431 0.620 20 0 CCADLP CC[C@@H](C(=O)NC(C)(C)C[NH+]1CCOCC1)[NH+](C)C ZINC000413953705 276515162 /nfs/dbraw/zinc/51/51/62/276515162.db2.gz GYVARDIIPXWSIR-LBPRGKRZSA-N 2 2 271.405 0.554 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1c(C)noc1C ZINC000380486102 545084405 /nfs/dbraw/zinc/08/44/05/545084405.db2.gz BGQPRZGYMKSSKG-GWCFXTLKSA-N 2 2 285.388 0.881 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1c(C)noc1C ZINC000380486102 545084406 /nfs/dbraw/zinc/08/44/06/545084406.db2.gz BGQPRZGYMKSSKG-GWCFXTLKSA-N 2 2 285.388 0.881 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377196779 277025646 /nfs/dbraw/zinc/02/56/46/277025646.db2.gz JTJMALISWMSCQP-CHWSQXEVSA-N 3 2 282.432 0.127 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377196779 277025647 /nfs/dbraw/zinc/02/56/47/277025647.db2.gz JTJMALISWMSCQP-CHWSQXEVSA-N 3 2 282.432 0.127 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@H]2CCS(=O)(=O)[C@H]2C1 ZINC000353132844 277044646 /nfs/dbraw/zinc/04/46/46/277044646.db2.gz DBSGMGLHTRVGDT-MCIONIFRSA-N 2 2 286.441 0.980 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@H]2CCS(=O)(=O)[C@H]2C1 ZINC000353132844 277044648 /nfs/dbraw/zinc/04/46/48/277044648.db2.gz DBSGMGLHTRVGDT-MCIONIFRSA-N 2 2 286.441 0.980 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1C[C@H]2CCS(=O)(=O)[C@H]2C1 ZINC000353132844 277044649 /nfs/dbraw/zinc/04/46/49/277044649.db2.gz DBSGMGLHTRVGDT-MCIONIFRSA-N 2 2 286.441 0.980 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@H]2CCS(=O)(=O)[C@H]2C1 ZINC000353132844 277044650 /nfs/dbraw/zinc/04/46/50/277044650.db2.gz DBSGMGLHTRVGDT-MCIONIFRSA-N 2 2 286.441 0.980 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000337604051 277056437 /nfs/dbraw/zinc/05/64/37/277056437.db2.gz UJJRZZHDFKCAHC-ZIAGYGMSSA-N 2 2 274.368 0.649 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000337604051 277056438 /nfs/dbraw/zinc/05/64/38/277056438.db2.gz UJJRZZHDFKCAHC-ZIAGYGMSSA-N 2 2 274.368 0.649 20 0 CCADLP COC(=O)[C@]1(C)CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351539747 277144314 /nfs/dbraw/zinc/14/43/14/277144314.db2.gz VEBGTLYWZJHPLZ-GXTWGEPZSA-N 2 2 270.373 0.327 20 0 CCADLP COC(=O)[C@]1(C)CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351539747 277144317 /nfs/dbraw/zinc/14/43/17/277144317.db2.gz VEBGTLYWZJHPLZ-GXTWGEPZSA-N 2 2 270.373 0.327 20 0 CCADLP COC(=O)[C@]1(C)CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000351539747 277144319 /nfs/dbraw/zinc/14/43/19/277144319.db2.gz VEBGTLYWZJHPLZ-GXTWGEPZSA-N 2 2 270.373 0.327 20 0 CCADLP COC(=O)[C@]1(C)CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351539747 277144321 /nfs/dbraw/zinc/14/43/21/277144321.db2.gz VEBGTLYWZJHPLZ-GXTWGEPZSA-N 2 2 270.373 0.327 20 0 CCADLP COC(=O)[C@H]1CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000332708583 277395351 /nfs/dbraw/zinc/39/53/51/277395351.db2.gz OLVWDGKWGDZMGT-JTQLQIEISA-N 2 2 266.345 0.481 20 0 CCADLP COC(=O)[C@H]1CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000332708583 277395352 /nfs/dbraw/zinc/39/53/52/277395352.db2.gz OLVWDGKWGDZMGT-JTQLQIEISA-N 2 2 266.345 0.481 20 0 CCADLP CO[C@@](C)([C@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000411943377 277699015 /nfs/dbraw/zinc/69/90/15/277699015.db2.gz IZYVCHPKQFKGMK-WFASDCNBSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000333796257 278092372 /nfs/dbraw/zinc/09/23/72/278092372.db2.gz NHOHNZGWKJSDSK-HBNTYKKESA-N 2 2 277.372 0.659 20 0 CCADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000333796257 278092373 /nfs/dbraw/zinc/09/23/73/278092373.db2.gz NHOHNZGWKJSDSK-HBNTYKKESA-N 2 2 277.372 0.659 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccccn1 ZINC000516292952 278140899 /nfs/dbraw/zinc/14/08/99/278140899.db2.gz OMGITXVQBNJZBY-RYUDHWBXSA-N 2 2 262.357 0.286 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccccn1 ZINC000516292952 278140900 /nfs/dbraw/zinc/14/09/00/278140900.db2.gz OMGITXVQBNJZBY-RYUDHWBXSA-N 2 2 262.357 0.286 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420388209 278157852 /nfs/dbraw/zinc/15/78/52/278157852.db2.gz WZAKDGANFQFWAK-IJLUTSLNSA-N 2 2 277.372 0.720 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420388209 278157853 /nfs/dbraw/zinc/15/78/53/278157853.db2.gz WZAKDGANFQFWAK-IJLUTSLNSA-N 2 2 277.372 0.720 20 0 CCADLP C[C@H]([N@H+](C)CC(=O)N1CC[NH+](C)CC1)C1(C)CC1 ZINC000093188640 278223519 /nfs/dbraw/zinc/22/35/19/278223519.db2.gz FMUJJRSQOSJJDG-LBPRGKRZSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@H]([N@@H+](C)CC(=O)N1CC[NH+](C)CC1)C1(C)CC1 ZINC000093188640 278223521 /nfs/dbraw/zinc/22/35/21/278223521.db2.gz FMUJJRSQOSJJDG-LBPRGKRZSA-N 2 2 253.390 0.881 20 0 CCADLP CC(=O)[C@H](NC(=O)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)C(C)C ZINC000420371455 278236828 /nfs/dbraw/zinc/23/68/28/278236828.db2.gz PLTISASWRLTFIC-RBDSIQFVSA-N 2 2 283.416 0.692 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[C@@H]([NH+](C)C)C2)nc[nH+]1 ZINC000298247288 278296126 /nfs/dbraw/zinc/29/61/26/278296126.db2.gz MOQGYFAYJVVLCC-WDEREUQCSA-N 2 2 265.361 0.410 20 0 CCADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)CC[NH3+])C2 ZINC000430872963 278563882 /nfs/dbraw/zinc/56/38/82/278563882.db2.gz NRNNXPSRKNDHER-SNVBAGLBSA-N 2 2 264.373 0.960 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@H]1CCCC[NH+]1CCO ZINC000453259286 288076116 /nfs/dbraw/zinc/07/61/16/288076116.db2.gz ICYAXKSFOATNHC-ILXRZTDVSA-N 2 2 269.433 0.763 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H]1CCCC[NH+]1CCO ZINC000453259286 288076117 /nfs/dbraw/zinc/07/61/17/288076117.db2.gz ICYAXKSFOATNHC-ILXRZTDVSA-N 2 2 269.433 0.763 20 0 CCADLP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@@H]1CCCC[N@@H+]1CCO ZINC000453259286 288076119 /nfs/dbraw/zinc/07/61/19/288076119.db2.gz ICYAXKSFOATNHC-ILXRZTDVSA-N 2 2 269.433 0.763 20 0 CCADLP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@@H]1CCCC[N@H+]1CCO ZINC000453259286 288076120 /nfs/dbraw/zinc/07/61/20/288076120.db2.gz ICYAXKSFOATNHC-ILXRZTDVSA-N 2 2 269.433 0.763 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000358180014 288098577 /nfs/dbraw/zinc/09/85/77/288098577.db2.gz RVELCZHDMRWILE-GRYCIOLGSA-N 2 2 253.390 0.926 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000358180014 288098579 /nfs/dbraw/zinc/09/85/79/288098579.db2.gz RVELCZHDMRWILE-GRYCIOLGSA-N 2 2 253.390 0.926 20 0 CCADLP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492856244 279111722 /nfs/dbraw/zinc/11/17/22/279111722.db2.gz VJHDQOYGSLXYFL-CWBMUHOVSA-N 2 2 278.356 0.336 20 0 CCADLP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492856244 279111724 /nfs/dbraw/zinc/11/17/24/279111724.db2.gz VJHDQOYGSLXYFL-CWBMUHOVSA-N 2 2 278.356 0.336 20 0 CCADLP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)CCc1c[nH+]cn1C ZINC000330630604 279111800 /nfs/dbraw/zinc/11/18/00/279111800.db2.gz DDYOZJTTYJCRDP-TZMCWYRMSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)CCc1c[nH+]cn1C ZINC000330630604 279111801 /nfs/dbraw/zinc/11/18/01/279111801.db2.gz DDYOZJTTYJCRDP-TZMCWYRMSA-N 2 2 294.399 0.266 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000072823391 279125442 /nfs/dbraw/zinc/12/54/42/279125442.db2.gz SKVXXJLWNLPUEM-QWRGUYRKSA-N 2 2 270.377 0.234 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000072823391 279125446 /nfs/dbraw/zinc/12/54/46/279125446.db2.gz SKVXXJLWNLPUEM-QWRGUYRKSA-N 2 2 270.377 0.234 20 0 CCADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428031264 279338212 /nfs/dbraw/zinc/33/82/12/279338212.db2.gz GSWQBDGJADHXIS-FRRDWIJNSA-N 2 2 253.390 0.926 20 0 CCADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428031264 279338215 /nfs/dbraw/zinc/33/82/15/279338215.db2.gz GSWQBDGJADHXIS-FRRDWIJNSA-N 2 2 253.390 0.926 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](CO)Cc1ccccc1 ZINC000229205006 279373164 /nfs/dbraw/zinc/37/31/64/279373164.db2.gz LEHVCJMZQGCFQJ-BMFZPTHFSA-N 2 2 278.396 0.947 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CCNS(C)(=O)=O)C[C@@H]1C ZINC000407949915 279398136 /nfs/dbraw/zinc/39/81/36/279398136.db2.gz WLYDNXNFCZGJOW-NWDGAFQWSA-N 2 2 277.434 0.340 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CCNS(C)(=O)=O)C[C@@H]1C ZINC000407949915 279398137 /nfs/dbraw/zinc/39/81/37/279398137.db2.gz WLYDNXNFCZGJOW-NWDGAFQWSA-N 2 2 277.434 0.340 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CCNS(C)(=O)=O)C[C@@H]1C ZINC000407949915 279398138 /nfs/dbraw/zinc/39/81/38/279398138.db2.gz WLYDNXNFCZGJOW-NWDGAFQWSA-N 2 2 277.434 0.340 20 0 CCADLP C[C@H]([NH3+])[C@H](C)NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000416867291 279412520 /nfs/dbraw/zinc/41/25/20/279412520.db2.gz HPQGVIOGIMBPSN-UWVGGRQHSA-N 2 2 261.329 0.869 20 0 CCADLP CC[C@H]1C(=O)N(CC)CC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261821259 288174742 /nfs/dbraw/zinc/17/47/42/288174742.db2.gz IJRDPSFRTSKARG-OLZOCXBDSA-N 2 2 253.390 0.929 20 0 CCADLP CC[C@H]1C(=O)N(CC)CC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261821259 288174746 /nfs/dbraw/zinc/17/47/46/288174746.db2.gz IJRDPSFRTSKARG-OLZOCXBDSA-N 2 2 253.390 0.929 20 0 CCADLP C[C@H]1[C@H](CO)CC[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425338784 280112673 /nfs/dbraw/zinc/11/26/73/280112673.db2.gz QFXGSIZBDVVQNE-QWRGUYRKSA-N 2 2 252.362 0.689 20 0 CCADLP C[C@H]1[C@H](CO)CC[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425338784 280112676 /nfs/dbraw/zinc/11/26/76/280112676.db2.gz QFXGSIZBDVVQNE-QWRGUYRKSA-N 2 2 252.362 0.689 20 0 CCADLP CC(C)[C@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)[C@H]1C)[NH+](C)C ZINC000356701901 280159925 /nfs/dbraw/zinc/15/99/25/280159925.db2.gz GTVFBLGGBNENAG-QLFBSQMISA-N 2 2 297.443 0.894 20 0 CCADLP CC[C@@H](NCCC[NH+]1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422732895 280187409 /nfs/dbraw/zinc/18/74/09/280187409.db2.gz PTENURRNKTWREO-KGLIPLIRSA-N 2 2 255.406 0.829 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000087531096 280236454 /nfs/dbraw/zinc/23/64/54/280236454.db2.gz HKVBRITYMONIPI-LBPRGKRZSA-N 2 2 271.405 0.444 20 0 CCADLP Cc1nc(N2CC[NH+](C[C@@H](C)O)CC2)c(C)c(C)[nH+]1 ZINC000302495807 281865280 /nfs/dbraw/zinc/86/52/80/281865280.db2.gz BHOPVIAZNBXWTQ-SNVBAGLBSA-N 2 2 264.373 0.905 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000236702112 282073004 /nfs/dbraw/zinc/07/30/04/282073004.db2.gz XZYYPVMUURRRCO-CHWSQXEVSA-N 2 2 285.432 0.977 20 0 CCADLP C[NH+](C)C[C@@H]1CCCCN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188926979 289190398 /nfs/dbraw/zinc/19/03/98/289190398.db2.gz QMVABSURYOCTCQ-NSHDSACASA-N 2 2 291.399 0.612 20 0 CCADLP C[NH+](C)Cc1nc(C2(NC(=O)CC[NH3+])CCCC2)no1 ZINC000431041543 289226777 /nfs/dbraw/zinc/22/67/77/289226777.db2.gz VVWGHBBEJVWQNI-UHFFFAOYSA-N 2 2 281.360 0.366 20 0 CCADLP CN(C)S(=O)(=O)CC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000230993399 289249408 /nfs/dbraw/zinc/24/94/08/289249408.db2.gz MNVMUXVCPAAOGI-OLZOCXBDSA-N 2 2 283.397 0.612 20 0 CCADLP CN(C)[C@@H](C(=O)N1CCC[C@@H]([NH+](C)C)C1)c1c[nH+]cn1C ZINC000280721761 289271093 /nfs/dbraw/zinc/27/10/93/289271093.db2.gz HKEJZEOGMAQSGJ-TZMCWYRMSA-N 2 2 293.415 0.575 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[C@H]([NH+](C)C)C2)nc[nH+]1 ZINC000298247287 290121963 /nfs/dbraw/zinc/12/19/63/290121963.db2.gz MOQGYFAYJVVLCC-QWRGUYRKSA-N 2 2 265.361 0.410 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]CCC(=O)NC(N)=O)[C@@H]1c1ccccc1 ZINC000411698785 290217112 /nfs/dbraw/zinc/21/71/12/290217112.db2.gz UQYRJSWHQSXMJE-JSGCOSHPSA-N 2 2 290.367 0.606 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]CCC(=O)NC(N)=O)[C@@H]1c1ccccc1 ZINC000411698785 290217114 /nfs/dbraw/zinc/21/71/14/290217114.db2.gz UQYRJSWHQSXMJE-JSGCOSHPSA-N 2 2 290.367 0.606 20 0 CCADLP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343918807 297071165 /nfs/dbraw/zinc/07/11/65/297071165.db2.gz FSGRXOIZWGYKCT-RBSFLKMASA-N 2 2 294.443 0.175 20 0 CCADLP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343918807 297071167 /nfs/dbraw/zinc/07/11/67/297071167.db2.gz FSGRXOIZWGYKCT-RBSFLKMASA-N 2 2 294.443 0.175 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCN1CC[C@@H]2OCC[NH+](C)[C@@H]2C1 ZINC000342169327 297125801 /nfs/dbraw/zinc/12/58/01/297125801.db2.gz KTCNRXIYBYZKSC-KFWWJZLASA-N 2 2 283.416 0.112 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCN1CC[C@@H]2OCC[NH+](C)[C@@H]2C1 ZINC000342169327 297125804 /nfs/dbraw/zinc/12/58/04/297125804.db2.gz KTCNRXIYBYZKSC-KFWWJZLASA-N 2 2 283.416 0.112 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000342169327 297125806 /nfs/dbraw/zinc/12/58/06/297125806.db2.gz KTCNRXIYBYZKSC-KFWWJZLASA-N 2 2 283.416 0.112 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000342169327 297125808 /nfs/dbraw/zinc/12/58/08/297125808.db2.gz KTCNRXIYBYZKSC-KFWWJZLASA-N 2 2 283.416 0.112 20 0 CCADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NC[C@@H]2CCCO2)CC[N@@H+]1C ZINC000177060473 297258951 /nfs/dbraw/zinc/25/89/51/297258951.db2.gz VQZKMNFEHLVVCF-RDBSUJKOSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NC[C@@H]2CCCO2)CC[N@H+]1C ZINC000177060473 297258953 /nfs/dbraw/zinc/25/89/53/297258953.db2.gz VQZKMNFEHLVVCF-RDBSUJKOSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)NC[C@@H]2CCCO2)CC[NH+]1C ZINC000177060473 297258956 /nfs/dbraw/zinc/25/89/56/297258956.db2.gz VQZKMNFEHLVVCF-RDBSUJKOSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NC[C@@H]2CCCO2)CC[NH+]1C ZINC000177060473 297258958 /nfs/dbraw/zinc/25/89/58/297258958.db2.gz VQZKMNFEHLVVCF-RDBSUJKOSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@]1(CNC(=O)NCC[NH+]2CCOCC2)CCC[NH2+]C1 ZINC000333138469 297896983 /nfs/dbraw/zinc/89/69/83/297896983.db2.gz IWIDTWNHRVIDHY-CQSZACIVSA-N 2 2 284.404 0.008 20 0 CCADLP C[C@H](C(=O)N1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C)[NH+]1CCOCC1 ZINC000424057235 298095979 /nfs/dbraw/zinc/09/59/79/298095979.db2.gz CKRGSYWBPHMZGV-XJFOESAGSA-N 2 2 283.416 0.539 20 0 CCADLP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420352257 298115056 /nfs/dbraw/zinc/11/50/56/298115056.db2.gz MAOSWBOWAHKLKT-BZPMIXESSA-N 2 2 291.395 0.604 20 0 CCADLP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420352257 298115058 /nfs/dbraw/zinc/11/50/58/298115058.db2.gz MAOSWBOWAHKLKT-BZPMIXESSA-N 2 2 291.395 0.604 20 0 CCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360567695 298120075 /nfs/dbraw/zinc/12/00/75/298120075.db2.gz GWAIHDFSAAWWIK-IAQYHMDHSA-N 2 2 296.415 0.685 20 0 CCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360567695 298120077 /nfs/dbraw/zinc/12/00/77/298120077.db2.gz GWAIHDFSAAWWIK-IAQYHMDHSA-N 2 2 296.415 0.685 20 0 CCADLP C[C@H](NC(=O)C1CC[NH2+]CC1)[C@H](C)[NH+]1CCOCC1 ZINC000237558778 299036205 /nfs/dbraw/zinc/03/62/05/299036205.db2.gz OOGBBKFLTLYFDP-RYUDHWBXSA-N 2 2 269.389 0.211 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449661251 527820411 /nfs/dbraw/zinc/82/04/11/527820411.db2.gz ZPLWJCNUNKYFSR-JTQLQIEISA-N 2 2 263.332 0.689 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449661251 527820417 /nfs/dbraw/zinc/82/04/17/527820417.db2.gz ZPLWJCNUNKYFSR-JTQLQIEISA-N 2 2 263.332 0.689 20 0 CCADLP Cc1cc(N2CC[C@H]([N@H+]3C[C@H](C[NH3+])C[C@H]3C)C2=O)n(C)n1 ZINC000442762054 301342622 /nfs/dbraw/zinc/34/26/22/301342622.db2.gz ZQUBDDRPFLWNOP-AGIUHOORSA-N 2 2 291.399 0.503 20 0 CCADLP Cc1cc(N2CC[C@H]([N@@H+]3C[C@H](C[NH3+])C[C@H]3C)C2=O)n(C)n1 ZINC000442762054 301342626 /nfs/dbraw/zinc/34/26/26/301342626.db2.gz ZQUBDDRPFLWNOP-AGIUHOORSA-N 2 2 291.399 0.503 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)no1 ZINC000574982902 328234710 /nfs/dbraw/zinc/23/47/10/328234710.db2.gz PRZPQDGSZILKNR-CMPLNLGQSA-N 2 2 292.383 0.948 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)no1 ZINC000574982902 328234712 /nfs/dbraw/zinc/23/47/12/328234712.db2.gz PRZPQDGSZILKNR-CMPLNLGQSA-N 2 2 292.383 0.948 20 0 CCADLP Cc1cn2cc(NC(=O)C(=O)N(C)CCC[NH3+])ccc2[nH+]1 ZINC000584064506 326914184 /nfs/dbraw/zinc/91/41/84/326914184.db2.gz FMLOSJFJGBPEPP-UHFFFAOYSA-N 2 2 289.339 0.388 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCNC(=O)C1(C)C ZINC000584121370 327044635 /nfs/dbraw/zinc/04/46/35/327044635.db2.gz JQBCXYXETQJGMF-UHFFFAOYSA-N 2 2 250.346 0.563 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCNC(=O)C1(C)C ZINC000584121370 327044636 /nfs/dbraw/zinc/04/46/36/327044636.db2.gz JQBCXYXETQJGMF-UHFFFAOYSA-N 2 2 250.346 0.563 20 0 CCADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](C[C@@H]2CCCNC2=O)CC1 ZINC000574050745 327285687 /nfs/dbraw/zinc/28/56/87/327285687.db2.gz KOSUGSMISQLJJZ-KGLIPLIRSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](C[C@@H]2CCCNC2=O)CC1 ZINC000574050745 327285688 /nfs/dbraw/zinc/28/56/88/327285688.db2.gz KOSUGSMISQLJJZ-KGLIPLIRSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000168669717 327287551 /nfs/dbraw/zinc/28/75/51/327287551.db2.gz DKTOIEJQUOMSJZ-GHMZBOCLSA-N 2 2 282.388 0.424 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000168669717 327287553 /nfs/dbraw/zinc/28/75/53/327287553.db2.gz DKTOIEJQUOMSJZ-GHMZBOCLSA-N 2 2 282.388 0.424 20 0 CCADLP CCn1c(C)cc(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1C ZINC000583380059 327334268 /nfs/dbraw/zinc/33/42/68/327334268.db2.gz FQOHXZKEYIDHFD-CYBMUJFWSA-N 2 2 278.400 0.840 20 0 CCADLP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cn1cc[nH+]c1 ZINC000578946316 327353460 /nfs/dbraw/zinc/35/34/60/327353460.db2.gz AHLZJEGSGYVUMI-UHFFFAOYSA-N 3 2 295.431 0.615 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]CC1([S@@](C)=O)CCC1)C1CC1 ZINC000393700055 329089006 /nfs/dbraw/zinc/08/90/06/329089006.db2.gz CGUIKUDQVRPPOM-KPZWWZAWSA-N 2 2 274.430 0.332 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]CC1([S@@](C)=O)CCC1)C1CC1 ZINC000393700055 329089007 /nfs/dbraw/zinc/08/90/07/329089007.db2.gz CGUIKUDQVRPPOM-KPZWWZAWSA-N 2 2 274.430 0.332 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@@]2(C)CCC[NH2+]2)c[nH+]1 ZINC000583086847 329307468 /nfs/dbraw/zinc/30/74/68/329307468.db2.gz XMONZRWNXAHRSA-CQSZACIVSA-N 2 2 262.357 0.906 20 0 CCADLP CC[N@@H+](Cc1cnn(C)c1)C[C@@H](O)C[NH+](C)CCOC ZINC000583063031 329309407 /nfs/dbraw/zinc/30/94/07/329309407.db2.gz MMQNZUXJSIEYCS-AWEZNQCLSA-N 2 2 284.404 0.181 20 0 CCADLP CC[N@H+](Cc1cnn(C)c1)C[C@@H](O)C[NH+](C)CCOC ZINC000583063031 329309408 /nfs/dbraw/zinc/30/94/08/329309408.db2.gz MMQNZUXJSIEYCS-AWEZNQCLSA-N 2 2 284.404 0.181 20 0 CCADLP CC[NH+](Cc1cnn(C)c1)C[C@@H](O)C[N@H+](C)CCOC ZINC000583063031 329309409 /nfs/dbraw/zinc/30/94/09/329309409.db2.gz MMQNZUXJSIEYCS-AWEZNQCLSA-N 2 2 284.404 0.181 20 0 CCADLP CC[NH+](Cc1cnn(C)c1)C[C@@H](O)C[N@@H+](C)CCOC ZINC000583063031 329309410 /nfs/dbraw/zinc/30/94/10/329309410.db2.gz MMQNZUXJSIEYCS-AWEZNQCLSA-N 2 2 284.404 0.181 20 0 CCADLP O=C1NCC[C@H]1CC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000575932617 335132890 /nfs/dbraw/zinc/13/28/90/335132890.db2.gz PAMQPDKHGGNHED-GJZGRUSLSA-N 2 2 295.427 0.557 20 0 CCADLP O=C1NCC[C@H]1CC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000575932617 335132891 /nfs/dbraw/zinc/13/28/91/335132891.db2.gz PAMQPDKHGGNHED-GJZGRUSLSA-N 2 2 295.427 0.557 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)[C@H](C[NH3+])C1 ZINC000576134876 335159176 /nfs/dbraw/zinc/15/91/76/335159176.db2.gz RDGVCRAIDKYNEO-KGLIPLIRSA-N 3 2 297.447 0.178 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)[NH+]1CC(C)C1 ZINC000553498538 334388892 /nfs/dbraw/zinc/38/88/92/334388892.db2.gz PYHPVMAVFYTIIA-AWEZNQCLSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H](CNC(=O)CC(F)(F)C[NH3+])Cn1cc[nH+]c1 ZINC000576355769 335193762 /nfs/dbraw/zinc/19/37/62/335193762.db2.gz HTLODZNNGUJWAM-VIFPVBQESA-N 2 2 260.288 0.620 20 0 CCADLP Nc1[nH+]cnc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1Cl ZINC000576493851 335211474 /nfs/dbraw/zinc/21/14/74/335211474.db2.gz HDJOEGXYVGCYKD-RNJXMRFFSA-N 2 2 253.737 0.886 20 0 CCADLP Nc1nc[nH+]c(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1Cl ZINC000576493851 335211475 /nfs/dbraw/zinc/21/14/75/335211475.db2.gz HDJOEGXYVGCYKD-RNJXMRFFSA-N 2 2 253.737 0.886 20 0 CCADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000576626745 335227639 /nfs/dbraw/zinc/22/76/39/335227639.db2.gz JKEUJVBCDVCSIJ-LXCMIUGQSA-N 3 2 279.428 0.859 20 0 CCADLP C[N@H+](CC1(CS(C)(=O)=O)CC1)C1CC[NH2+]CC1 ZINC000576636743 335228749 /nfs/dbraw/zinc/22/87/49/335228749.db2.gz GYKQALUABJXNDH-UHFFFAOYSA-N 2 2 260.403 0.495 20 0 CCADLP C[N@@H+](CC1(CS(C)(=O)=O)CC1)C1CC[NH2+]CC1 ZINC000576636743 335228751 /nfs/dbraw/zinc/22/87/51/335228751.db2.gz GYKQALUABJXNDH-UHFFFAOYSA-N 2 2 260.403 0.495 20 0 CCADLP C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)N1CC[NH+](C)CC1 ZINC000576879434 335259537 /nfs/dbraw/zinc/25/95/37/335259537.db2.gz IOTZDIZURLFLFV-UONOGXRCSA-N 2 2 293.415 0.586 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000577001246 335276748 /nfs/dbraw/zinc/27/67/48/335276748.db2.gz ALRPZGDIPCIZFI-CYBMUJFWSA-N 2 2 291.399 0.889 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000577001246 335276750 /nfs/dbraw/zinc/27/67/50/335276750.db2.gz ALRPZGDIPCIZFI-CYBMUJFWSA-N 2 2 291.399 0.889 20 0 CCADLP C[C@H](CCC1CC1)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000580632053 335306901 /nfs/dbraw/zinc/30/69/01/335306901.db2.gz KJUXLNVZABIZEH-DGCLKSJQSA-N 2 2 268.405 0.849 20 0 CCADLP C[C@H](CCC1CC1)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000580632053 335306903 /nfs/dbraw/zinc/30/69/03/335306903.db2.gz KJUXLNVZABIZEH-DGCLKSJQSA-N 2 2 268.405 0.849 20 0 CCADLP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000580660853 335315656 /nfs/dbraw/zinc/31/56/56/335315656.db2.gz WDTXDBUBTALWOA-JTQLQIEISA-N 2 2 287.323 0.141 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCCSC2)[C@@H](C[NH3+])C1 ZINC000577208060 335322691 /nfs/dbraw/zinc/32/26/91/335322691.db2.gz FCVVKEARNKNDBD-QWRGUYRKSA-N 2 2 272.418 0.166 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@H]2CCCSC2)[C@@H](C[NH3+])C1 ZINC000577208060 335322692 /nfs/dbraw/zinc/32/26/92/335322692.db2.gz FCVVKEARNKNDBD-QWRGUYRKSA-N 2 2 272.418 0.166 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000577490083 335358148 /nfs/dbraw/zinc/35/81/48/335358148.db2.gz JIQFDEKJUNZNGT-WCQYABFASA-N 2 2 262.357 0.515 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000577490083 335358150 /nfs/dbraw/zinc/35/81/50/335358150.db2.gz JIQFDEKJUNZNGT-WCQYABFASA-N 2 2 262.357 0.515 20 0 CCADLP CC(C)[NH+]1CCC(O)(CNC(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000577766676 335399477 /nfs/dbraw/zinc/39/94/77/335399477.db2.gz GQFMORIJRQCLBX-UHFFFAOYSA-N 2 2 297.443 0.680 20 0 CCADLP COCCOC[C@H](O)C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000581066216 336002685 /nfs/dbraw/zinc/00/26/85/336002685.db2.gz BFESITKVWRXOFP-SGMGOOAPSA-N 2 2 272.389 0.225 20 0 CCADLP COCCOC[C@H](O)C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000581066216 336002686 /nfs/dbraw/zinc/00/26/86/336002686.db2.gz BFESITKVWRXOFP-SGMGOOAPSA-N 2 2 272.389 0.225 20 0 CCADLP C[C@H]1COCC[N@@H+]1C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000581202168 336024322 /nfs/dbraw/zinc/02/43/22/336024322.db2.gz SAXWFKQJAOAFIS-HNNXBMFYSA-N 2 2 297.443 0.504 20 0 CCADLP COC[C@@]1(C(=O)NCCCCn2cc[nH+]c2)CC[NH2+]C1 ZINC000380817803 336031278 /nfs/dbraw/zinc/03/12/78/336031278.db2.gz AWGRASNJGLXTKJ-CQSZACIVSA-N 2 2 280.372 0.406 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])C1 ZINC000581304536 336043462 /nfs/dbraw/zinc/04/34/62/336043462.db2.gz JQACWPCPBXWHRX-XUWVNRHRSA-N 3 2 299.459 0.685 20 0 CCADLP [NH3+][C@H]1CCCC[C@@H]1CC(=O)NCCc1[nH]cc[nH+]1 ZINC000381049508 336047417 /nfs/dbraw/zinc/04/74/17/336047417.db2.gz YHEOCVZLJQZMQB-MNOVXSKESA-N 2 2 250.346 0.976 20 0 CCADLP C(COC[C@@H]1CCCO1)[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000581423341 336074620 /nfs/dbraw/zinc/07/46/20/336074620.db2.gz BRTXIUUVNISGAJ-ZNMIVQPWSA-N 2 2 284.400 0.539 20 0 CCADLP Cn1nc2c(c1C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)CCCC2 ZINC000581544184 336099205 /nfs/dbraw/zinc/09/92/05/336099205.db2.gz OWSONFHRXVEWSB-ZDUSSCGKSA-N 2 2 292.427 0.844 20 0 CCADLP Cn1nc2c(c1C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)CCCC2 ZINC000581544184 336099207 /nfs/dbraw/zinc/09/92/07/336099207.db2.gz OWSONFHRXVEWSB-ZDUSSCGKSA-N 2 2 292.427 0.844 20 0 CCADLP O=C(CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1)N1CCCCC1 ZINC000581556040 336102409 /nfs/dbraw/zinc/10/24/09/336102409.db2.gz LDGOZQHQTCAVPQ-UHFFFAOYSA-N 2 2 291.399 0.934 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000581559075 336103296 /nfs/dbraw/zinc/10/32/96/336103296.db2.gz LWXUPPFBUQQDSH-CDWSIMAYSA-N 2 2 251.374 0.857 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000581559075 336103298 /nfs/dbraw/zinc/10/32/98/336103298.db2.gz LWXUPPFBUQQDSH-CDWSIMAYSA-N 2 2 251.374 0.857 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCC[C@H]2CCOC2)[C@@H](C[NH3+])C1 ZINC000581777372 336145542 /nfs/dbraw/zinc/14/55/42/336145542.db2.gz BRDUYXYKGSQBCJ-STQMWFEESA-N 2 2 284.404 0.087 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCC[C@H]2CCOC2)[C@@H](C[NH3+])C1 ZINC000581777372 336145543 /nfs/dbraw/zinc/14/55/43/336145543.db2.gz BRDUYXYKGSQBCJ-STQMWFEESA-N 2 2 284.404 0.087 20 0 CCADLP CCOC(=O)CC[C@H](O)C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000385668110 336153954 /nfs/dbraw/zinc/15/39/54/336153954.db2.gz LQLPHSKQIZFGIM-RYUDHWBXSA-N 2 2 269.345 0.565 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]([NH3+])c1cscn1)[N@H+](C)C1CC1 ZINC000582000379 336188184 /nfs/dbraw/zinc/18/81/84/336188184.db2.gz KFLCGWZQJLBDSD-KWQFWETISA-N 2 2 268.386 0.742 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]([NH3+])c1cscn1)[N@@H+](C)C1CC1 ZINC000582000379 336188186 /nfs/dbraw/zinc/18/81/86/336188186.db2.gz KFLCGWZQJLBDSD-KWQFWETISA-N 2 2 268.386 0.742 20 0 CCADLP [NH3+]CCC[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000415084449 545093473 /nfs/dbraw/zinc/09/34/73/545093473.db2.gz RHHFYAZGJWQYKC-UHFFFAOYSA-N 3 2 293.411 0.836 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000371278703 535494035 /nfs/dbraw/zinc/49/40/35/535494035.db2.gz CADXSRDFIVSWCP-SNVBAGLBSA-N 2 2 250.346 0.725 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000371278703 535494040 /nfs/dbraw/zinc/49/40/40/535494040.db2.gz CADXSRDFIVSWCP-SNVBAGLBSA-N 2 2 250.346 0.725 20 0 CCADLP COC(=O)c1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c[nH]1 ZINC000427135146 533800894 /nfs/dbraw/zinc/80/08/94/533800894.db2.gz ANYFNOQHIASXIX-VXGBXAGGSA-N 2 2 263.341 0.985 20 0 CCADLP COC(=O)c1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c[nH]1 ZINC000427135146 533800910 /nfs/dbraw/zinc/80/09/10/533800910.db2.gz ANYFNOQHIASXIX-VXGBXAGGSA-N 2 2 263.341 0.985 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)C(C)(C)n1cncn1 ZINC000453271837 533880239 /nfs/dbraw/zinc/88/02/39/533880239.db2.gz UIYIDHHTBYUGPQ-KBPBESRZSA-N 2 2 295.431 0.838 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)C(C)(C)n1cncn1 ZINC000453271837 533880245 /nfs/dbraw/zinc/88/02/45/533880245.db2.gz UIYIDHHTBYUGPQ-KBPBESRZSA-N 2 2 295.431 0.838 20 0 CCADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cncc(F)c1 ZINC000358254266 533892765 /nfs/dbraw/zinc/89/27/65/533892765.db2.gz PISMNGICXREBTL-GWCFXTLKSA-N 2 2 253.321 0.938 20 0 CCADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cncc(F)c1 ZINC000358254266 533892768 /nfs/dbraw/zinc/89/27/68/533892768.db2.gz PISMNGICXREBTL-GWCFXTLKSA-N 2 2 253.321 0.938 20 0 CCADLP C[C@H](C[NH3+])CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000418467271 534041074 /nfs/dbraw/zinc/04/10/74/534041074.db2.gz IDUPHUBLSZTVSM-CYBMUJFWSA-N 2 2 291.399 0.504 20 0 CCADLP CC[NH+]1CCN(CCC[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000347716792 535698714 /nfs/dbraw/zinc/69/87/14/535698714.db2.gz IURVQWXIVFYZKG-HUUCEWRRSA-N 3 2 268.449 0.554 20 0 CCADLP CC[NH+]1CCN(CCC[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000347716792 535698717 /nfs/dbraw/zinc/69/87/17/535698717.db2.gz IURVQWXIVFYZKG-HUUCEWRRSA-N 3 2 268.449 0.554 20 0 CCADLP CCN(C)C(=O)C[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000361134850 535726690 /nfs/dbraw/zinc/72/66/90/535726690.db2.gz BPCPLALBEZQACA-UHFFFAOYSA-N 2 2 299.415 0.472 20 0 CCADLP C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1[NH+]1CCOCC1 ZINC000492821938 534277274 /nfs/dbraw/zinc/27/72/74/534277274.db2.gz FZZKQNMNEGLIDU-BTBCPRSTSA-N 2 2 290.367 0.602 20 0 CCADLP C[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)[NH+]1CCOCC1 ZINC000361713515 534292762 /nfs/dbraw/zinc/29/27/62/534292762.db2.gz HLNSGDPDPWLGOT-RBSFLKMASA-N 2 2 295.427 0.650 20 0 CCADLP C[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)[NH+]1CCOCC1 ZINC000361713515 534292763 /nfs/dbraw/zinc/29/27/63/534292763.db2.gz HLNSGDPDPWLGOT-RBSFLKMASA-N 2 2 295.427 0.650 20 0 CCADLP Cc1nc(N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000419002025 534434680 /nfs/dbraw/zinc/43/46/80/534434680.db2.gz LXNUOLZOFAVAFZ-MNOVXSKESA-N 2 2 294.403 0.137 20 0 CCADLP Cc1nc(N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000419002025 534434686 /nfs/dbraw/zinc/43/46/86/534434686.db2.gz LXNUOLZOFAVAFZ-MNOVXSKESA-N 2 2 294.403 0.137 20 0 CCADLP CC(C)COC[C@@H](O)C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000049235115 519757201 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O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423587851 534640031 /nfs/dbraw/zinc/64/00/31/534640031.db2.gz AKKKQTWHEQUWIP-VNHYZAJKSA-N 2 2 293.411 0.308 20 0 CCADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423587851 534640034 /nfs/dbraw/zinc/64/00/34/534640034.db2.gz AKKKQTWHEQUWIP-VNHYZAJKSA-N 2 2 293.411 0.308 20 0 CCADLP COCCCNC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366561907 523326386 /nfs/dbraw/zinc/32/63/86/523326386.db2.gz UGWDAHUMFGMENW-CQSZACIVSA-N 2 2 269.389 0.167 20 0 CCADLP COCCCNC(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366561907 523326391 /nfs/dbraw/zinc/32/63/91/523326391.db2.gz UGWDAHUMFGMENW-CQSZACIVSA-N 2 2 269.389 0.167 20 0 CCADLP COCCCNC(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366561907 523326402 /nfs/dbraw/zinc/32/64/02/523326402.db2.gz UGWDAHUMFGMENW-CQSZACIVSA-N 2 2 269.389 0.167 20 0 CCADLP COCCCNC(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366561907 523326407 /nfs/dbraw/zinc/32/64/07/523326407.db2.gz UGWDAHUMFGMENW-CQSZACIVSA-N 2 2 269.389 0.167 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261708222 534708963 /nfs/dbraw/zinc/70/89/63/534708963.db2.gz JBNBHAOGSPDSJJ-WDEREUQCSA-N 2 2 282.388 0.152 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261708222 534708972 /nfs/dbraw/zinc/70/89/72/534708972.db2.gz JBNBHAOGSPDSJJ-WDEREUQCSA-N 2 2 282.388 0.152 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261708217 534709470 /nfs/dbraw/zinc/70/94/70/534709470.db2.gz JBNBHAOGSPDSJJ-MNOVXSKESA-N 2 2 282.388 0.152 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261708217 534709472 /nfs/dbraw/zinc/70/94/72/534709472.db2.gz JBNBHAOGSPDSJJ-MNOVXSKESA-N 2 2 282.388 0.152 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000364987831 523875163 /nfs/dbraw/zinc/87/51/63/523875163.db2.gz MEANRRAXCLNMIW-OLZOCXBDSA-N 2 2 292.383 0.282 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000364987831 523875167 /nfs/dbraw/zinc/87/51/67/523875167.db2.gz MEANRRAXCLNMIW-OLZOCXBDSA-N 2 2 292.383 0.282 20 0 CCADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cc(=O)n4[nH]ccc4n3)C2)C1 ZINC000366536581 523976559 /nfs/dbraw/zinc/97/65/59/523976559.db2.gz YXFZVBHMCANCNX-OAHLLOKOSA-N 2 2 287.367 0.550 20 0 CCADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc(=O)n4[nH]ccc4n3)C2)C1 ZINC000366536581 523976560 /nfs/dbraw/zinc/97/65/60/523976560.db2.gz YXFZVBHMCANCNX-OAHLLOKOSA-N 2 2 287.367 0.550 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cc(=O)n4[nH]ccc4n3)C2)C1 ZINC000366536581 523976563 /nfs/dbraw/zinc/97/65/63/523976563.db2.gz YXFZVBHMCANCNX-OAHLLOKOSA-N 2 2 287.367 0.550 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cc(=O)n4[nH]ccc4n3)C2)C1 ZINC000366536581 523976565 /nfs/dbraw/zinc/97/65/65/523976565.db2.gz YXFZVBHMCANCNX-OAHLLOKOSA-N 2 2 287.367 0.550 20 0 CCADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000354089819 524396600 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C[N@H+](CCOCC1CC1)C1CC[NH+](CCO)CC1 ZINC000357700662 536393346 /nfs/dbraw/zinc/39/33/46/536393346.db2.gz FVHUMZXMVHBLQU-UHFFFAOYSA-N 2 2 256.390 0.802 20 0 CCADLP C[N@@H+](CCOCC1CC1)C1CC[NH+](CCO)CC1 ZINC000357700662 536393348 /nfs/dbraw/zinc/39/33/48/536393348.db2.gz FVHUMZXMVHBLQU-UHFFFAOYSA-N 2 2 256.390 0.802 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCCC[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000246745351 524845825 /nfs/dbraw/zinc/84/58/25/524845825.db2.gz ZKHNFNCNIZLMJO-MGPQQGTHSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1c1nc[nH+]c2c1OCCN2 ZINC000665709749 545104804 /nfs/dbraw/zinc/10/48/04/545104804.db2.gz LYYMAVMBPIWTBL-UWVGGRQHSA-N 2 2 263.345 0.810 20 0 CCADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1nc[nH+]c2c1OCCN2 ZINC000665709749 545104805 /nfs/dbraw/zinc/10/48/05/545104805.db2.gz LYYMAVMBPIWTBL-UWVGGRQHSA-N 2 2 263.345 0.810 20 0 CCADLP C[N@@H+]1CC[C@]2(CCN(c3nc[nH+]c4c3OCCN4)C2)C1 ZINC000665720595 545105446 /nfs/dbraw/zinc/10/54/46/545105446.db2.gz 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C([NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)[C@@H]1CCCOC1 ZINC000422721661 527490292 /nfs/dbraw/zinc/49/02/92/527490292.db2.gz VYWGORHWDCJYMH-UBHSHLNASA-N 2 2 254.374 0.770 20 0 CCADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000668203412 545167076 /nfs/dbraw/zinc/16/70/76/545167076.db2.gz HVXWVTHRJSCQOI-RBSFLKMASA-N 2 2 268.401 0.990 20 0 CCADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000668203412 545167077 /nfs/dbraw/zinc/16/70/77/545167077.db2.gz HVXWVTHRJSCQOI-RBSFLKMASA-N 2 2 268.401 0.990 20 0 CCADLP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1c[nH+]c2n1CCC2 ZINC000668241668 545169220 /nfs/dbraw/zinc/16/92/20/545169220.db2.gz MMCWCBQSJZGNGR-QWHCGFSZSA-N 2 2 278.400 0.716 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1c[nH+]c2n1CCC2 ZINC000668241668 545169221 /nfs/dbraw/zinc/16/92/21/545169221.db2.gz MMCWCBQSJZGNGR-QWHCGFSZSA-N 2 2 278.400 0.716 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000668360118 545174878 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CN(C)c1[nH+]cc(C[N@H+]2C[C@@H]3COC[C@]3(C)C2)n1C ZINC000668597842 545183456 /nfs/dbraw/zinc/18/34/56/545183456.db2.gz VPPIQGBPNQERHI-RISCZKNCSA-N 2 2 264.373 0.954 20 0 CCADLP COc1ccccc1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000668541271 545180846 /nfs/dbraw/zinc/18/08/46/545180846.db2.gz LEQGQAYLEIRVDC-CYBMUJFWSA-N 2 2 292.383 0.480 20 0 CCADLP COc1ccccc1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000668541271 545180847 /nfs/dbraw/zinc/18/08/47/545180847.db2.gz LEQGQAYLEIRVDC-CYBMUJFWSA-N 2 2 292.383 0.480 20 0 CCADLP CN(C)c1[nH+]cc(CN2CC[NH+]([C@H]3CCOC3)CC2)n1C ZINC000668535719 545180919 /nfs/dbraw/zinc/18/09/19/545180919.db2.gz PFAFFHYATLHJMO-ZDUSSCGKSA-N 2 2 293.415 0.393 20 0 CCADLP CN1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CCC1=O ZINC000668621863 545184289 /nfs/dbraw/zinc/18/42/89/545184289.db2.gz LHLHSJWTGDXLRV-UHFFFAOYSA-N 2 2 285.351 0.931 20 0 CCADLP CN1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CCC1=O ZINC000668621863 545184290 /nfs/dbraw/zinc/18/42/90/545184290.db2.gz LHLHSJWTGDXLRV-UHFFFAOYSA-N 2 2 285.351 0.931 20 0 CCADLP C[NH+](C)CCCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000668681523 545187162 /nfs/dbraw/zinc/18/71/62/545187162.db2.gz YGBKWZGPVPGBFH-GFCCVEGCSA-N 2 2 264.373 0.904 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)n1C ZINC000668705076 545188439 /nfs/dbraw/zinc/18/84/39/545188439.db2.gz GCKGUIOZLHNQMF-NEPJUHHUSA-N 2 2 264.373 0.954 20 0 CCADLP CC1(C)OCC[C@@H]1[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000453286000 527804906 /nfs/dbraw/zinc/80/49/06/527804906.db2.gz ILOLJLUBKYPWFL-OLZOCXBDSA-N 2 2 256.390 0.990 20 0 CCADLP CC1(C)OCC[C@@H]1[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000453286000 527804912 /nfs/dbraw/zinc/80/49/12/527804912.db2.gz ILOLJLUBKYPWFL-OLZOCXBDSA-N 2 2 256.390 0.990 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CC2=CCCOC2)CC1 ZINC000668793794 545190943 /nfs/dbraw/zinc/19/09/43/545190943.db2.gz OPFHVZBJNJYOIF-UHFFFAOYSA-N 2 2 262.357 0.889 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCCC[NH2+]C1 ZINC000423556747 527914878 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CCC[C@H]([NH3+])C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000423864787 528163422 /nfs/dbraw/zinc/16/34/22/528163422.db2.gz ZKRVIFDZDRYBPD-NEPJUHHUSA-N 2 2 285.388 0.210 20 0 CCADLP CCC[C@H]([NH3+])C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000423864787 528163429 /nfs/dbraw/zinc/16/34/29/528163429.db2.gz ZKRVIFDZDRYBPD-NEPJUHHUSA-N 2 2 285.388 0.210 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)NC(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493526071 528166594 /nfs/dbraw/zinc/16/65/94/528166594.db2.gz VOBZNVUSVFPTSF-FOQNGQEVSA-N 2 2 280.372 0.632 20 0 CCADLP C[C@@H](NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000669538181 545213819 /nfs/dbraw/zinc/21/38/19/545213819.db2.gz CDZJALCPKOKUCW-YVECIDJPSA-N 2 2 284.404 0.097 20 0 CCADLP C[C@@H](NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000669538181 545213820 /nfs/dbraw/zinc/21/38/20/545213820.db2.gz CDZJALCPKOKUCW-YVECIDJPSA-N 2 2 284.404 0.097 20 0 CCADLP CC(C)c1nc(NC[C@@]2(O)CC[N@H+](C)C2)cc[nH+]1 ZINC000358329949 528363783 /nfs/dbraw/zinc/36/37/83/528363783.db2.gz CASPOQLBGYEYAB-ZDUSSCGKSA-N 2 2 250.346 0.500 20 0 CCADLP CC(C)c1nc(NC[C@@]2(O)CC[N@@H+](C)C2)cc[nH+]1 ZINC000358329949 528363787 /nfs/dbraw/zinc/36/37/87/528363787.db2.gz CASPOQLBGYEYAB-ZDUSSCGKSA-N 2 2 250.346 0.500 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000417919388 528415035 /nfs/dbraw/zinc/41/50/35/528415035.db2.gz FZXDPFHSMJYZOO-CHWSQXEVSA-N 2 2 291.399 0.958 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000423589255 528479066 /nfs/dbraw/zinc/47/90/66/528479066.db2.gz HAWLPLHBIDOGIO-BFHYXJOUSA-N 2 2 283.416 0.602 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000423589255 528479070 /nfs/dbraw/zinc/47/90/70/528479070.db2.gz HAWLPLHBIDOGIO-BFHYXJOUSA-N 2 2 283.416 0.602 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000423589256 528479789 /nfs/dbraw/zinc/47/97/89/528479789.db2.gz HAWLPLHBIDOGIO-HZSPNIEDSA-N 2 2 283.416 0.602 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000423589256 528479792 /nfs/dbraw/zinc/47/97/92/528479792.db2.gz HAWLPLHBIDOGIO-HZSPNIEDSA-N 2 2 283.416 0.602 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000449113997 528539367 /nfs/dbraw/zinc/53/93/67/528539367.db2.gz BOMWBVSINSTAHP-NEPJUHHUSA-N 2 2 257.378 0.211 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000449113997 528539373 /nfs/dbraw/zinc/53/93/73/528539373.db2.gz BOMWBVSINSTAHP-NEPJUHHUSA-N 2 2 257.378 0.211 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000423875594 528551094 /nfs/dbraw/zinc/55/10/94/528551094.db2.gz RVEXGWCLMAWRPM-STQMWFEESA-N 2 2 293.415 0.609 20 0 CCADLP CCCNC(=O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670985514 545241109 /nfs/dbraw/zinc/24/11/09/545241109.db2.gz ZBPBEEOUSVTZSA-AWEZNQCLSA-N 2 2 283.416 0.699 20 0 CCADLP CCCNC(=O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670985514 545241110 /nfs/dbraw/zinc/24/11/10/545241110.db2.gz ZBPBEEOUSVTZSA-AWEZNQCLSA-N 2 2 283.416 0.699 20 0 CCADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1COCC[NH2+]1 ZINC000423865198 528860439 /nfs/dbraw/zinc/86/04/39/528860439.db2.gz CSATUQVLXXCLRL-ZDUSSCGKSA-N 2 2 294.399 0.673 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672147629 545263150 /nfs/dbraw/zinc/26/31/50/545263150.db2.gz RXQTWVGGLGLQFX-WCQYABFASA-N 2 2 262.357 0.798 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672147629 545263151 /nfs/dbraw/zinc/26/31/51/545263151.db2.gz RXQTWVGGLGLQFX-WCQYABFASA-N 2 2 262.357 0.798 20 0 CCADLP CCC[C@@H]([NH3+])C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000423864790 528963084 /nfs/dbraw/zinc/96/30/84/528963084.db2.gz ZKRVIFDZDRYBPD-VXGBXAGGSA-N 2 2 285.388 0.210 20 0 CCADLP CCC[C@@H]([NH3+])C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000423864790 528963087 /nfs/dbraw/zinc/96/30/87/528963087.db2.gz ZKRVIFDZDRYBPD-VXGBXAGGSA-N 2 2 285.388 0.210 20 0 CCADLP CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000423925818 528969200 /nfs/dbraw/zinc/96/92/00/528969200.db2.gz CAUQFPNEVMRORY-RWMBFGLXSA-N 2 2 269.389 0.435 20 0 CCADLP CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000423925818 528969207 /nfs/dbraw/zinc/96/92/07/528969207.db2.gz CAUQFPNEVMRORY-RWMBFGLXSA-N 2 2 269.389 0.435 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@](C)(COC)C2)CC1 ZINC000451184463 529130645 /nfs/dbraw/zinc/13/06/45/529130645.db2.gz AXXZSTJFQVWCJG-GDBMZVCRSA-N 2 2 297.443 0.897 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@](C)(COC)C2)CC1 ZINC000451184463 529130646 /nfs/dbraw/zinc/13/06/46/529130646.db2.gz AXXZSTJFQVWCJG-GDBMZVCRSA-N 2 2 297.443 0.897 20 0 CCADLP COCC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000673661621 545290192 /nfs/dbraw/zinc/29/01/92/545290192.db2.gz JSBJTXGIPOLFTB-LBPRGKRZSA-N 2 2 266.345 0.110 20 0 CCADLP COCC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000673661621 545290193 /nfs/dbraw/zinc/29/01/93/545290193.db2.gz JSBJTXGIPOLFTB-LBPRGKRZSA-N 2 2 266.345 0.110 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000673658810 545290311 /nfs/dbraw/zinc/29/03/11/545290311.db2.gz ATFRWIAAIOOAFW-QWHCGFSZSA-N 2 2 278.356 0.377 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000673658810 545290312 /nfs/dbraw/zinc/29/03/12/545290312.db2.gz ATFRWIAAIOOAFW-QWHCGFSZSA-N 2 2 278.356 0.377 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)NC2CC[NH2+]CC2)CCO1 ZINC000418309205 529292966 /nfs/dbraw/zinc/29/29/66/529292966.db2.gz NIPPVWBCFWYLLW-ZDUSSCGKSA-N 2 2 284.404 0.148 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)NC2CC[NH2+]CC2)CCO1 ZINC000418309205 529292967 /nfs/dbraw/zinc/29/29/67/529292967.db2.gz NIPPVWBCFWYLLW-ZDUSSCGKSA-N 2 2 284.404 0.148 20 0 CCADLP C[C@@H](C(=O)NCC[N@@H+]1CCOC(C)(C)C1)[NH+](C)C ZINC000674287752 545302711 /nfs/dbraw/zinc/30/27/11/545302711.db2.gz AZGZRUNULVYVKM-NSHDSACASA-N 2 2 257.378 0.164 20 0 CCADLP C[C@@H](C(=O)NCC[N@H+]1CCOC(C)(C)C1)[NH+](C)C ZINC000674287752 545302712 /nfs/dbraw/zinc/30/27/12/545302712.db2.gz AZGZRUNULVYVKM-NSHDSACASA-N 2 2 257.378 0.164 20 0 CCADLP C[C@@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1[C@@H]1CCCOC1 ZINC000674300700 545303668 /nfs/dbraw/zinc/30/36/68/545303668.db2.gz DXAYQGVVVULOTR-OAGGEKHMSA-N 2 2 297.443 0.502 20 0 CCADLP C[C@@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1[C@@H]1CCCOC1 ZINC000674300700 545303669 /nfs/dbraw/zinc/30/36/69/545303669.db2.gz DXAYQGVVVULOTR-OAGGEKHMSA-N 2 2 297.443 0.502 20 0 CCADLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1[C@@H]1CCCOC1 ZINC000674300700 545303670 /nfs/dbraw/zinc/30/36/70/545303670.db2.gz DXAYQGVVVULOTR-OAGGEKHMSA-N 2 2 297.443 0.502 20 0 CCADLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1[C@@H]1CCCOC1 ZINC000674300700 545303671 /nfs/dbraw/zinc/30/36/71/545303671.db2.gz DXAYQGVVVULOTR-OAGGEKHMSA-N 2 2 297.443 0.502 20 0 CCADLP C[NH+]1CCN(C[C@H]2C[N@@H+]([C@@H]3CCCOC3)CCO2)CC1 ZINC000674301983 545303772 /nfs/dbraw/zinc/30/37/72/545303772.db2.gz XSHIFMOVYQBYTL-CABCVRRESA-N 2 2 283.416 0.114 20 0 CCADLP C[NH+]1CCN(C[C@H]2C[N@H+]([C@@H]3CCCOC3)CCO2)CC1 ZINC000674301983 545303773 /nfs/dbraw/zinc/30/37/73/545303773.db2.gz XSHIFMOVYQBYTL-CABCVRRESA-N 2 2 283.416 0.114 20 0 CCADLP CC(C)[C@H](CNC1=[NH+]CCCN1)[NH+]1CCN(C)CC1 ZINC000340034706 535014925 /nfs/dbraw/zinc/01/49/25/535014925.db2.gz ZVQRKUUOVLDYSI-ZDUSSCGKSA-N 2 2 267.421 0.197 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@]3(C)CCCO3)C2)CC1 ZINC000674799125 545313559 /nfs/dbraw/zinc/31/35/59/545313559.db2.gz AWIMVYNMHUMVNJ-CZUORRHYSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@]3(C)CCCO3)C2)CC1 ZINC000674799125 545313560 /nfs/dbraw/zinc/31/35/60/545313560.db2.gz AWIMVYNMHUMVNJ-CZUORRHYSA-N 2 2 295.427 0.840 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000262917352 535191028 /nfs/dbraw/zinc/19/10/28/535191028.db2.gz GLFSXQIFNIOCCC-SNVBAGLBSA-N 2 2 261.316 0.536 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]C[C@@H]2CNc3ccnn3C2)[C@@H](C)C1 ZINC000674885147 545317273 /nfs/dbraw/zinc/31/72/73/545317273.db2.gz YZAYIYOWDBSZPV-XQQFMLRXSA-N 2 2 263.389 0.855 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]C[C@@H]2CNc3ccnn3C2)[C@@H](C)C1 ZINC000674885147 545317274 /nfs/dbraw/zinc/31/72/74/545317274.db2.gz YZAYIYOWDBSZPV-XQQFMLRXSA-N 2 2 263.389 0.855 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675280085 545324163 /nfs/dbraw/zinc/32/41/63/545324163.db2.gz CQVUECHZDZKOLH-UONOGXRCSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000675280085 545324164 /nfs/dbraw/zinc/32/41/64/545324164.db2.gz CQVUECHZDZKOLH-UONOGXRCSA-N 2 2 281.400 0.404 20 0 CCADLP CC[C@H](C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[NH+](C)C ZINC000675720069 545330701 /nfs/dbraw/zinc/33/07/01/545330701.db2.gz HXWFXHYTHSCSTI-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP COC[C@@H](CC(C)C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000675782228 545331391 /nfs/dbraw/zinc/33/13/91/545331391.db2.gz OPMAARQCTMYRPL-CYBMUJFWSA-N 2 2 271.405 0.411 20 0 CCADLP C[C@H](CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000676249377 545338606 /nfs/dbraw/zinc/33/86/06/545338606.db2.gz DHUMWRWKJCISMR-IBEHDNSVSA-N 4 2 278.444 0.067 20 0 CCADLP C[C@H](CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000676249377 545338607 /nfs/dbraw/zinc/33/86/07/545338607.db2.gz DHUMWRWKJCISMR-IBEHDNSVSA-N 4 2 278.444 0.067 20 0 CCADLP CC[NH+]1CCN(CC(=O)NCCCn2cc[nH+]c2)CC1 ZINC000344014577 535657717 /nfs/dbraw/zinc/65/77/17/535657717.db2.gz KEVOJNSNGSRFIC-UHFFFAOYSA-N 2 2 279.388 0.027 20 0 CCADLP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000676698392 545349320 /nfs/dbraw/zinc/34/93/20/545349320.db2.gz VXMLBRGSYJIIRV-OLZOCXBDSA-N 2 2 292.383 0.282 20 0 CCADLP CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000676698392 545349321 /nfs/dbraw/zinc/34/93/21/545349321.db2.gz VXMLBRGSYJIIRV-OLZOCXBDSA-N 2 2 292.383 0.282 20 0 CCADLP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000676719865 545350265 /nfs/dbraw/zinc/35/02/65/545350265.db2.gz OXZJEIWBQWEDCE-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000676719865 545350266 /nfs/dbraw/zinc/35/02/66/545350266.db2.gz OXZJEIWBQWEDCE-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccn(C)n3)C2)CC1 ZINC000361907228 535737897 /nfs/dbraw/zinc/73/78/97/535737897.db2.gz KNLQJDXGELNWEE-OAHLLOKOSA-N 2 2 277.416 0.632 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccn(C)n3)C2)CC1 ZINC000361907228 535737902 /nfs/dbraw/zinc/73/79/02/535737902.db2.gz KNLQJDXGELNWEE-OAHLLOKOSA-N 2 2 277.416 0.632 20 0 CCADLP CC[C@]1(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CCC[NH2+]1 ZINC000343781987 535878806 /nfs/dbraw/zinc/87/88/06/535878806.db2.gz BNIRMHDOAJCFPD-OAHLLOKOSA-N 2 2 291.399 0.586 20 0 CCADLP CC[C@@]1(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CCC[NH2+]1 ZINC000343779264 536024219 /nfs/dbraw/zinc/02/42/19/536024219.db2.gz ZRGHPXNEDKVIGO-JSGCOSHPSA-N 2 2 269.389 0.356 20 0 CCADLP CC[C@@]1(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CCC[NH2+]1 ZINC000343779264 536024223 /nfs/dbraw/zinc/02/42/23/536024223.db2.gz ZRGHPXNEDKVIGO-JSGCOSHPSA-N 2 2 269.389 0.356 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CC2(O)CCCC2)CC1 ZINC000678081598 545383646 /nfs/dbraw/zinc/38/36/46/545383646.db2.gz XEEHOHVXVAENOL-CQSZACIVSA-N 2 2 295.427 0.706 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CC2(O)CCCC2)CC1 ZINC000678081598 545383647 /nfs/dbraw/zinc/38/36/47/545383647.db2.gz XEEHOHVXVAENOL-CQSZACIVSA-N 2 2 295.427 0.706 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000678266578 545388237 /nfs/dbraw/zinc/38/82/37/545388237.db2.gz HTLQTYMOEQJLSZ-UHFFFAOYSA-N 2 2 252.362 0.688 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000678266578 545388238 /nfs/dbraw/zinc/38/82/38/545388238.db2.gz HTLQTYMOEQJLSZ-UHFFFAOYSA-N 2 2 252.362 0.688 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+]2CCC3(CCOC3)CC2)CC1 ZINC000678530980 545394007 /nfs/dbraw/zinc/39/40/07/545394007.db2.gz WGLZXKIPNUKQPK-UHFFFAOYSA-N 2 2 281.400 0.263 20 0 CCADLP Cc1[nH+]ccn1CCC[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000678628879 545395918 /nfs/dbraw/zinc/39/59/18/545395918.db2.gz LEIAFGBGRLOFIO-OAHLLOKOSA-N 2 2 278.400 0.988 20 0 CCADLP Cc1[nH+]ccn1CCCN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000678628879 545395919 /nfs/dbraw/zinc/39/59/19/545395919.db2.gz LEIAFGBGRLOFIO-OAHLLOKOSA-N 2 2 278.400 0.988 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccon1 ZINC000678721948 545396897 /nfs/dbraw/zinc/39/68/97/545396897.db2.gz QQAQAKBXWAOFDK-UHFFFAOYSA-N 2 2 263.301 0.832 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccon1 ZINC000678721948 545396898 /nfs/dbraw/zinc/39/68/98/545396898.db2.gz QQAQAKBXWAOFDK-UHFFFAOYSA-N 2 2 263.301 0.832 20 0 CCADLP C[NH2+][C@H](C(=O)NC[C@@H](C)Cn1cc[nH+]c1)c1cnn(C)c1 ZINC000357199568 536383278 /nfs/dbraw/zinc/38/32/78/536383278.db2.gz KUVCZWBOLASBFJ-YPMHNXCESA-N 2 2 290.371 0.330 20 0 CCADLP Cc1nnc(CN2CC[NH+](CCn3cc[nH+]c3C)CC2)[nH]1 ZINC000678889898 545399499 /nfs/dbraw/zinc/39/94/99/545399499.db2.gz AZMNNZCCNAJLLU-UHFFFAOYSA-N 2 2 289.387 0.436 20 0 CCADLP CN1CCC[C@@H]([NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC000679318715 545406733 /nfs/dbraw/zinc/40/67/33/545406733.db2.gz UWHSCVXLTZLGKB-LSDHHAIUSA-N 2 2 294.443 0.319 20 0 CCADLP CN1CCC[C@@H]([NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC000679318715 545406734 /nfs/dbraw/zinc/40/67/34/545406734.db2.gz UWHSCVXLTZLGKB-LSDHHAIUSA-N 2 2 294.443 0.319 20 0 CCADLP CCc1cc(N2CC[NH+](CC(=O)N(C)C)CC2)nc(C)[nH+]1 ZINC000679837666 545416342 /nfs/dbraw/zinc/41/63/42/545416342.db2.gz PXQWOGMCEHBWQT-UHFFFAOYSA-N 2 2 291.399 0.558 20 0 CCADLP COCCn1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cn1 ZINC000368687873 536847691 /nfs/dbraw/zinc/84/76/91/536847691.db2.gz MHHOEDVGCQYPKN-LBPRGKRZSA-N 2 2 275.356 0.900 20 0 CCADLP COCCn1cc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cn1 ZINC000368687873 536847697 /nfs/dbraw/zinc/84/76/97/536847697.db2.gz MHHOEDVGCQYPKN-LBPRGKRZSA-N 2 2 275.356 0.900 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000680815262 545434852 /nfs/dbraw/zinc/43/48/52/545434852.db2.gz MEEVOFUUPLFXNU-CQSZACIVSA-N 2 2 260.341 0.719 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000680815262 545434853 /nfs/dbraw/zinc/43/48/53/545434853.db2.gz MEEVOFUUPLFXNU-CQSZACIVSA-N 2 2 260.341 0.719 20 0 CCADLP CCc1nn(C)cc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000680815035 545434912 /nfs/dbraw/zinc/43/49/12/545434912.db2.gz IPISTRDBSONGKE-CYBMUJFWSA-N 2 2 252.362 0.139 20 0 CCADLP CCc1nn(C)cc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000680815035 545434913 /nfs/dbraw/zinc/43/49/13/545434913.db2.gz IPISTRDBSONGKE-CYBMUJFWSA-N 2 2 252.362 0.139 20 0 CCADLP C[NH+](C)C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000681551104 545455762 /nfs/dbraw/zinc/45/57/62/545455762.db2.gz VWAVMTJSOUCSDC-LBPRGKRZSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC000682516080 545481703 /nfs/dbraw/zinc/48/17/03/545481703.db2.gz IOIZHMNQFJXPBY-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC000682516080 545481704 /nfs/dbraw/zinc/48/17/04/545481704.db2.gz IOIZHMNQFJXPBY-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[NH+]2CCC1CC2 ZINC000682568373 545483920 /nfs/dbraw/zinc/48/39/20/545483920.db2.gz BWBZNPMQBSTPFX-LBPRGKRZSA-N 2 2 274.368 0.752 20 0 CCADLP C[C@@H]1COCCC[NH+]1CC(O)C[N@H+]1CCCOC[C@H]1C ZINC000683667830 545556388 /nfs/dbraw/zinc/55/63/88/545556388.db2.gz JKWFFFUBBFWGIA-ZIAGYGMSSA-N 2 2 286.416 0.569 20 0 CCADLP C[C@@H]1COCCC[NH+]1CC(O)C[N@@H+]1CCCOC[C@H]1C ZINC000683667830 545556391 /nfs/dbraw/zinc/55/63/91/545556391.db2.gz JKWFFFUBBFWGIA-ZIAGYGMSSA-N 2 2 286.416 0.569 20 0 CCADLP O=C1NC2(CO1)CC[NH+](C[C@H](O)C[NH+]1CCCC1)CC2 ZINC000784458367 581168137 /nfs/dbraw/zinc/16/81/37/581168137.db2.gz ACARQOAXKHLNSB-GFCCVEGCSA-N 2 2 283.372 0.018 20 0 CCADLP C[C@@H](CCO)[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000779341695 581181396 /nfs/dbraw/zinc/18/13/96/581181396.db2.gz KCKZDRJFLXNTLU-AWEZNQCLSA-N 2 2 293.415 0.349 20 0 CCADLP OC1(C[NH+]2CCOCC2)CC[NH+](C/C=C\Cl)CC1 ZINC000779604819 581193888 /nfs/dbraw/zinc/19/38/88/581193888.db2.gz IBXACTLSNIGEMP-RJRFIUFISA-N 2 2 274.792 0.898 20 0 CCADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2cscn2)CC1 ZINC000779603537 581194039 /nfs/dbraw/zinc/19/40/39/581194039.db2.gz GPROFAWUIXOBDI-UHFFFAOYSA-N 2 2 297.424 0.802 20 0 CCADLP C[NH+](C)CC(C)(C)CNC(=S)NCCn1cc[nH+]c1 ZINC000727068647 581301359 /nfs/dbraw/zinc/30/13/59/581301359.db2.gz JBHYGVSVQHFEQG-UHFFFAOYSA-N 2 2 283.445 0.935 20 0 CCADLP Cc1cc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)n(C)n1 ZINC000793527647 581302484 /nfs/dbraw/zinc/30/24/84/581302484.db2.gz OPYNHQJTAATTAS-GFCCVEGCSA-N 2 2 279.388 0.153 20 0 CCADLP COc1c[nH+]ccc1N1CC[NH+](CC(=O)N(C)OC)CC1 ZINC000796574018 581358212 /nfs/dbraw/zinc/35/82/12/581358212.db2.gz CBTHSLMYYJDPLY-UHFFFAOYSA-N 2 2 294.355 0.232 20 0 CCADLP Cc1cc(N(C)CC[NH+]2CCOCC2)nc(N)[nH+]1 ZINC000728709892 581368569 /nfs/dbraw/zinc/36/85/69/581368569.db2.gz FJHNHHHQBTWFBK-UHFFFAOYSA-N 2 2 251.334 0.136 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CC[NH+](C3CC3)C2)CCO1 ZINC000734272296 581552815 /nfs/dbraw/zinc/55/28/15/581552815.db2.gz QJSPFUYMGQZXMZ-CHWSQXEVSA-N 2 2 296.415 0.243 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC000734272296 581552818 /nfs/dbraw/zinc/55/28/18/581552818.db2.gz QJSPFUYMGQZXMZ-CHWSQXEVSA-N 2 2 296.415 0.243 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000734272296 581552820 /nfs/dbraw/zinc/55/28/20/581552820.db2.gz QJSPFUYMGQZXMZ-CHWSQXEVSA-N 2 2 296.415 0.243 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+](C)CC(C)(C)S(C)(=O)=O ZINC000766245741 581559214 /nfs/dbraw/zinc/55/92/14/581559214.db2.gz HZAMHOONQGHOQJ-UHFFFAOYSA-N 2 2 273.402 0.947 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+](C)CC(C)(C)S(C)(=O)=O ZINC000766245741 581559216 /nfs/dbraw/zinc/55/92/16/581559216.db2.gz HZAMHOONQGHOQJ-UHFFFAOYSA-N 2 2 273.402 0.947 20 0 CCADLP COC(=O)C[C@@]1([NH2+]CC[NH+]2CCCC2)CCOC1 ZINC000767029572 581592192 /nfs/dbraw/zinc/59/21/92/581592192.db2.gz HPROTVBKAPDVLB-ZDUSSCGKSA-N 2 2 256.346 0.394 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000729516053 581601244 /nfs/dbraw/zinc/60/12/44/581601244.db2.gz OCTGFEDSOQRGGF-ZDUSSCGKSA-N 2 2 285.351 0.835 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)NCc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000729516053 581601248 /nfs/dbraw/zinc/60/12/48/581601248.db2.gz OCTGFEDSOQRGGF-ZDUSSCGKSA-N 2 2 285.351 0.835 20 0 CCADLP C[N@@H+]1CCC[C@H]1CCN1CC[NH+](CC[S@](C)=O)CC1 ZINC000767429189 581613679 /nfs/dbraw/zinc/61/36/79/581613679.db2.gz LUISEILNHDKVPA-LIRRHRJNSA-N 2 2 287.473 0.467 20 0 CCADLP C[N@H+]1CCC[C@H]1CCN1CC[NH+](CC[S@](C)=O)CC1 ZINC000767429189 581613681 /nfs/dbraw/zinc/61/36/81/581613681.db2.gz LUISEILNHDKVPA-LIRRHRJNSA-N 2 2 287.473 0.467 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000769230828 581678852 /nfs/dbraw/zinc/67/88/52/581678852.db2.gz VCRMGZOUWYDGCB-HNNXBMFYSA-N 2 2 298.427 0.715 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000769230828 581678853 /nfs/dbraw/zinc/67/88/53/581678853.db2.gz VCRMGZOUWYDGCB-HNNXBMFYSA-N 2 2 298.427 0.715 20 0 CCADLP CC[NH+]1CCC([N@H+](C)CC(=O)N2CCO[C@H](C)C2)CC1 ZINC000740874324 581720663 /nfs/dbraw/zinc/72/06/63/581720663.db2.gz ASVPAXKTAWVUSH-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+]1CCC([N@@H+](C)CC(=O)N2CCO[C@H](C)C2)CC1 ZINC000740874324 581720666 /nfs/dbraw/zinc/72/06/66/581720666.db2.gz ASVPAXKTAWVUSH-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP c1cc(N2CCCC2)nc(N2CC[N@@H+]3CCOC[C@@H]3C2)[nH+]1 ZINC000754081716 581721238 /nfs/dbraw/zinc/72/12/38/581721238.db2.gz NZWGBTLFMVABGI-ZDUSSCGKSA-N 2 2 289.383 0.598 20 0 CCADLP c1cc(N2CCCC2)nc(N2CC[N@H+]3CCOC[C@@H]3C2)[nH+]1 ZINC000754081716 581721241 /nfs/dbraw/zinc/72/12/41/581721241.db2.gz NZWGBTLFMVABGI-ZDUSSCGKSA-N 2 2 289.383 0.598 20 0 CCADLP O=C(CC[NH+]1CCOCC1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000730832267 581739091 /nfs/dbraw/zinc/73/90/91/581739091.db2.gz INZJSTFQGHKCNW-UHFFFAOYSA-N 2 2 291.351 0.394 20 0 CCADLP COC(=O)C[C@]1([NH2+]CC[NH+]2CCCC2)CCCOC1 ZINC000770703288 581763068 /nfs/dbraw/zinc/76/30/68/581763068.db2.gz YDXZHWJFOUIDJV-CQSZACIVSA-N 2 2 270.373 0.784 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000741812371 581763875 /nfs/dbraw/zinc/76/38/75/581763875.db2.gz ZEPOHDLCMSMMKA-HZPDHXFCSA-N 2 2 297.443 0.097 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)N(C)CC[NH+]2CCCC2)CCO1 ZINC000733038395 581860257 /nfs/dbraw/zinc/86/02/57/581860257.db2.gz IAAVIDJRFOEASE-AWEZNQCLSA-N 2 2 298.431 0.444 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)N(C)CC[NH+]2CCCC2)CCO1 ZINC000733038395 581860261 /nfs/dbraw/zinc/86/02/61/581860261.db2.gz IAAVIDJRFOEASE-AWEZNQCLSA-N 2 2 298.431 0.444 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000736946730 581871863 /nfs/dbraw/zinc/87/18/63/581871863.db2.gz RCEVHEGIDXYMTM-WOPDTQHZSA-N 2 2 296.333 0.831 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000736946730 581871864 /nfs/dbraw/zinc/87/18/64/581871864.db2.gz RCEVHEGIDXYMTM-WOPDTQHZSA-N 2 2 296.333 0.831 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H]1CCCCNC1=O ZINC000772746632 581888173 /nfs/dbraw/zinc/88/81/73/581888173.db2.gz CCQSRRHYTLFMCX-OLZOCXBDSA-N 2 2 269.389 0.044 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H]1CCCCNC1=O ZINC000772746632 581888175 /nfs/dbraw/zinc/88/81/75/581888175.db2.gz CCQSRRHYTLFMCX-OLZOCXBDSA-N 2 2 269.389 0.044 20 0 CCADLP CC[C@@H](C(=O)N1CCC[N@H+](CC(N)=O)CC1)[NH+](CC)CC ZINC000746218910 581901586 /nfs/dbraw/zinc/90/15/86/581901586.db2.gz NHGRKVSPQVZMDH-ZDUSSCGKSA-N 2 2 298.431 0.126 20 0 CCADLP CC[C@@H](C(=O)N1CCC[N@@H+](CC(N)=O)CC1)[NH+](CC)CC ZINC000746218910 581901587 /nfs/dbraw/zinc/90/15/87/581901587.db2.gz NHGRKVSPQVZMDH-ZDUSSCGKSA-N 2 2 298.431 0.126 20 0 CCADLP CC(C)([NH3+])C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000746306253 581909688 /nfs/dbraw/zinc/90/96/88/581909688.db2.gz IYCGFRGHJVHDJP-UHFFFAOYSA-N 2 2 259.313 0.621 20 0 CCADLP C[C@H]1CCC[N@H+](CC[NH2+]C2CCN(C=O)CC2)C1 ZINC000774125076 581960699 /nfs/dbraw/zinc/96/06/99/581960699.db2.gz ZCFDEZFWZYBXFY-ZDUSSCGKSA-N 2 2 253.390 0.929 20 0 CCADLP C[C@H]1CCC[N@@H+](CC[NH2+]C2CCN(C=O)CC2)C1 ZINC000774125076 581960701 /nfs/dbraw/zinc/96/07/01/581960701.db2.gz ZCFDEZFWZYBXFY-ZDUSSCGKSA-N 2 2 253.390 0.929 20 0 CCADLP Cn1c[nH+]cc1COC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000774138612 581961144 /nfs/dbraw/zinc/96/11/44/581961144.db2.gz LDFSFUUGEZHODD-JTQLQIEISA-N 2 2 269.370 0.901 20 0 CCADLP Cn1c[nH+]cc1COC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000774138612 581961145 /nfs/dbraw/zinc/96/11/45/581961145.db2.gz LDFSFUUGEZHODD-JTQLQIEISA-N 2 2 269.370 0.901 20 0 CCADLP O=CN1CCC([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000774174015 581963192 /nfs/dbraw/zinc/96/31/92/581963192.db2.gz NDKLPLQKJMOMEP-CQSZACIVSA-N 2 2 251.374 0.681 20 0 CCADLP O=CN1CCC([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000774174015 581963194 /nfs/dbraw/zinc/96/31/94/581963194.db2.gz NDKLPLQKJMOMEP-CQSZACIVSA-N 2 2 251.374 0.681 20 0 CCADLP C[C@@H]1C[N@H+](CN2CCCC2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000763331358 581995432 /nfs/dbraw/zinc/99/54/32/581995432.db2.gz DDGFCSBUBJPNGX-CABCVRRESA-N 2 2 294.443 0.524 20 0 CCADLP C[C@@H]1C[N@@H+](CN2CCCC2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000763331358 581995435 /nfs/dbraw/zinc/99/54/35/581995435.db2.gz DDGFCSBUBJPNGX-CABCVRRESA-N 2 2 294.443 0.524 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC1CC(C[NH2+]CC2CC2)C1 ZINC000962887187 649906911 /nfs/dbraw/zinc/90/69/11/649906911.db2.gz BAOPAWSBPPZCSQ-UHFFFAOYSA-N 2 2 262.357 0.778 20 0 CCADLP C[C@@H]([NH3+])CN(C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000861568445 617173813 /nfs/dbraw/zinc/17/38/13/617173813.db2.gz CJPWWWHUYFLVLN-LLVKDONJSA-N 2 2 272.393 0.086 20 0 CCADLP C[C@@H]([NH3+])CN(C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000861568445 617173815 /nfs/dbraw/zinc/17/38/15/617173815.db2.gz CJPWWWHUYFLVLN-LLVKDONJSA-N 2 2 272.393 0.086 20 0 CCADLP C[C@@H]([NH3+])C[N@H+](C)CCC(=O)NC(=O)NCc1ccccc1 ZINC000863569352 617175321 /nfs/dbraw/zinc/17/53/21/617175321.db2.gz SRDQMHANMMCTRN-GFCCVEGCSA-N 2 2 292.383 0.682 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+](C)CCC(=O)NC(=O)NCc1ccccc1 ZINC000863569352 617175322 /nfs/dbraw/zinc/17/53/22/617175322.db2.gz SRDQMHANMMCTRN-GFCCVEGCSA-N 2 2 292.383 0.682 20 0 CCADLP C[C@@H]([NH3+])[C@@H]([NH2+]CC1(CO)COC1)c1ccccc1 ZINC000925618950 617177291 /nfs/dbraw/zinc/17/72/91/617177291.db2.gz XGWTXUHASJOHGT-DGCLKSJQSA-N 2 2 250.342 0.673 20 0 CCADLP C[C@@H]([NH3+])[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccccc1 ZINC000925544424 617178266 /nfs/dbraw/zinc/17/82/66/617178266.db2.gz RDRYHFHEXFUDBG-OCCSQVGLSA-N 2 2 291.395 0.947 20 0 CCADLP CC(C)[C@@H](F)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855415364 614115820 /nfs/dbraw/zinc/11/58/20/614115820.db2.gz WIWFWYSFASZJKS-GFCCVEGCSA-N 2 2 261.385 0.980 20 0 CCADLP CC(C)[C@@H](F)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855415364 614115822 /nfs/dbraw/zinc/11/58/22/614115822.db2.gz WIWFWYSFASZJKS-GFCCVEGCSA-N 2 2 261.385 0.980 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000904427996 614193448 /nfs/dbraw/zinc/19/34/48/614193448.db2.gz CYAFYAHFJQBDIM-LLVKDONJSA-N 2 2 255.362 0.934 20 0 CCADLP CC(C)[NH+]1CCN(CCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000899905067 614361400 /nfs/dbraw/zinc/36/14/00/614361400.db2.gz QHRPZEDBEZTIPC-UHFFFAOYSA-N 2 2 296.459 0.567 20 0 CCADLP C1COC2(CCC([NH2+][C@@H]3C[NH2+]CCOC3)CC2)O1 ZINC000925615270 613228881 /nfs/dbraw/zinc/22/88/81/613228881.db2.gz YNMFNDOQVUUZPV-GFCCVEGCSA-N 2 2 256.346 0.250 20 0 CCADLP C1CC1[C@@H]([NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)[C@@H]1C[NH2+]CCO1 ZINC000873238674 613230479 /nfs/dbraw/zinc/23/04/79/613230479.db2.gz DYZHEQUYSGZNSU-AHWCTLNISA-N 2 2 278.396 0.766 20 0 CCADLP C/C(=C/C(=O)N1CC[NH2+][C@@H](C(C)C)C1)C[NH+]1CCOCC1 ZINC000912766224 613231016 /nfs/dbraw/zinc/23/10/16/613231016.db2.gz SGWWYDYCXJMPEP-BAAYTWLHSA-N 2 2 295.427 0.721 20 0 CCADLP C/C(=C\C(=O)N1CC[NH2+][C@H](C(C)C)C1)C[NH+]1CCOCC1 ZINC000912766225 613250766 /nfs/dbraw/zinc/25/07/66/613250766.db2.gz SGWWYDYCXJMPEP-IPJDOKCGSA-N 2 2 295.427 0.721 20 0 CCADLP C/C(=C\C(=O)NC[C@H]1CC[N@@H+](C)C1)C[NH+]1CCOCC1 ZINC000900306469 613257602 /nfs/dbraw/zinc/25/76/02/613257602.db2.gz RIOQUNKNABJZPR-KADHNRKRSA-N 2 2 281.400 0.333 20 0 CCADLP C/C(=C\C(=O)NC[C@H]1CC[N@H+](C)C1)C[NH+]1CCOCC1 ZINC000900306469 613257604 /nfs/dbraw/zinc/25/76/04/613257604.db2.gz RIOQUNKNABJZPR-KADHNRKRSA-N 2 2 281.400 0.333 20 0 CCADLP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H]3C[NH2+]CCOC3)[C@@H]2C1 ZINC000925668074 613674412 /nfs/dbraw/zinc/67/44/12/613674412.db2.gz GGIATVXLUHHXRY-YJNKXOJESA-N 2 2 281.400 0.211 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H](O)CC(C)(C)O)CC1 ZINC000878667937 613939299 /nfs/dbraw/zinc/93/92/99/613939299.db2.gz FZIAXHMSYAMRBD-ZDUSSCGKSA-N 2 2 288.432 0.333 20 0 CCADLP CC(C)[NH2+][C@H](C)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC000979426987 613978245 /nfs/dbraw/zinc/97/82/45/613978245.db2.gz GXHFZPFGTJCRRQ-NEPJUHHUSA-N 2 2 280.372 0.566 20 0 CCADLP CC(C)[NH2+][C@H](C)[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC000979442218 613978871 /nfs/dbraw/zinc/97/88/71/613978871.db2.gz GEXUZMFPUYFPAD-TZMCWYRMSA-N 2 2 294.399 0.577 20 0 CCADLP CC(C)(C[NH3+])C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000903791165 614087539 /nfs/dbraw/zinc/08/75/39/614087539.db2.gz POMXFCVVHYNFKD-CYBMUJFWSA-N 3 2 255.406 0.672 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C[C@H](O)C2(O)CCC2)C1 ZINC000899875183 614098451 /nfs/dbraw/zinc/09/84/51/614098451.db2.gz CSUCAVWLIWJEFE-KBPBESRZSA-N 2 2 286.416 0.209 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C[C@H](O)C2(O)CCC2)C1 ZINC000899875183 614098452 /nfs/dbraw/zinc/09/84/52/614098452.db2.gz CSUCAVWLIWJEFE-KBPBESRZSA-N 2 2 286.416 0.209 20 0 CCADLP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000948739044 614101400 /nfs/dbraw/zinc/10/14/00/614101400.db2.gz WCPZBWLWYSYVRL-CQSZACIVSA-N 2 2 283.416 0.101 20 0 CCADLP CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000948739044 614101402 /nfs/dbraw/zinc/10/14/02/614101402.db2.gz WCPZBWLWYSYVRL-CQSZACIVSA-N 2 2 283.416 0.101 20 0 CCADLP CC(C)COC[C@H](O)C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903870322 614166172 /nfs/dbraw/zinc/16/61/72/614166172.db2.gz MWIGIDAPSBJVHV-KGLIPLIRSA-N 2 2 256.390 0.848 20 0 CCADLP CC(C)COC[C@H](O)C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903870322 614166174 /nfs/dbraw/zinc/16/61/74/614166174.db2.gz MWIGIDAPSBJVHV-KGLIPLIRSA-N 2 2 256.390 0.848 20 0 CCADLP CC(C)[C@H](C[NH+](C)C)NC(=O)Cc1c[nH+]cn1C ZINC000806923747 614207794 /nfs/dbraw/zinc/20/77/94/614207794.db2.gz BWTXZGNYEYLFTR-LBPRGKRZSA-N 2 2 252.362 0.665 20 0 CCADLP CC(C)[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980539526 614281677 /nfs/dbraw/zinc/28/16/77/614281677.db2.gz ROZYGGDCGWJSDU-LBPRGKRZSA-N 2 2 250.346 0.824 20 0 CCADLP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980539526 614281679 /nfs/dbraw/zinc/28/16/79/614281679.db2.gz ROZYGGDCGWJSDU-LBPRGKRZSA-N 2 2 250.346 0.824 20 0 CCADLP CC(C)[NH+]1CCC(N(C)C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000864693466 614325696 /nfs/dbraw/zinc/32/56/96/614325696.db2.gz NATYNKPIHNBIKK-CYBMUJFWSA-N 2 2 280.372 0.774 20 0 CCADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCCO)CC1 ZINC000951195809 614331243 /nfs/dbraw/zinc/33/12/43/614331243.db2.gz MOTMQRHRSLBNNT-OAHLLOKOSA-N 2 2 297.443 0.776 20 0 CCADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCCO)CC1 ZINC000951195809 614331246 /nfs/dbraw/zinc/33/12/46/614331246.db2.gz MOTMQRHRSLBNNT-OAHLLOKOSA-N 2 2 297.443 0.776 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000865034186 614370832 /nfs/dbraw/zinc/37/08/32/614370832.db2.gz SPZWMLZYJTWNAW-BWPKMQGJSA-N 2 2 295.427 0.721 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000865034186 614370833 /nfs/dbraw/zinc/37/08/33/614370833.db2.gz SPZWMLZYJTWNAW-BWPKMQGJSA-N 2 2 295.427 0.721 20 0 CCADLP CCCn1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)nn1 ZINC000865532860 614533738 /nfs/dbraw/zinc/53/37/38/614533738.db2.gz PTAZEULTJWNFCH-NSHDSACASA-N 2 2 260.345 0.989 20 0 CCADLP CCCn1cc([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)nn1 ZINC000902793281 614539159 /nfs/dbraw/zinc/53/91/59/614539159.db2.gz GTTHTQLSNJWQQH-KGLIPLIRSA-N 2 2 294.447 0.975 20 0 CCADLP CCCn1cc([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)nn1 ZINC000902795297 614540115 /nfs/dbraw/zinc/54/01/15/614540115.db2.gz CVOYXUQCDACNQB-KBPBESRZSA-N 2 2 294.447 0.975 20 0 CCADLP CCC([NH3+])(CC)CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876539544 614586308 /nfs/dbraw/zinc/58/63/08/614586308.db2.gz KRLSSUTUGRXUDS-WAYWQWQTSA-N 2 2 269.389 0.509 20 0 CCADLP CCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C1C[NH+](C[C@H](C)O)C1 ZINC000957424361 614616745 /nfs/dbraw/zinc/61/67/45/614616745.db2.gz PPOGUFARAXOFLS-ZFWWWQNUSA-N 2 2 297.443 0.774 20 0 CCADLP CCN(C(=O)[C@@H]1CCCC[N@H+]1CC)C1C[NH+](C[C@H](C)O)C1 ZINC000957424361 614616748 /nfs/dbraw/zinc/61/67/48/614616748.db2.gz PPOGUFARAXOFLS-ZFWWWQNUSA-N 2 2 297.443 0.774 20 0 CCADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1C[NH+]([C@@H](C)COC)C1 ZINC000949780342 614619899 /nfs/dbraw/zinc/61/98/99/614619899.db2.gz JVYOFCQLRUSGOJ-JSGCOSHPSA-N 2 2 283.416 0.648 20 0 CCADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1C[NH+]([C@@H](C)COC)C1 ZINC000949780342 614619902 /nfs/dbraw/zinc/61/99/02/614619902.db2.gz JVYOFCQLRUSGOJ-JSGCOSHPSA-N 2 2 283.416 0.648 20 0 CCADLP CCN(C(=O)[C@H]1CCCC[N@@H+]1CC)C1C[NH+](CCCO)C1 ZINC000957420840 614669725 /nfs/dbraw/zinc/66/97/25/614669725.db2.gz VQRRWKLKCDBCBB-OAHLLOKOSA-N 2 2 297.443 0.776 20 0 CCADLP CCN(C(=O)[C@H]1CCCC[N@H+]1CC)C1C[NH+](CCCO)C1 ZINC000957420840 614669728 /nfs/dbraw/zinc/66/97/28/614669728.db2.gz VQRRWKLKCDBCBB-OAHLLOKOSA-N 2 2 297.443 0.776 20 0 CCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](CO)c2c[nH+]cn2C)C1 ZINC000912612862 614671881 /nfs/dbraw/zinc/67/18/81/614671881.db2.gz SVHRGDWTDHUJNE-STQMWFEESA-N 2 2 294.399 0.692 20 0 CCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](CO)c2c[nH+]cn2C)C1 ZINC000912612862 614671882 /nfs/dbraw/zinc/67/18/82/614671882.db2.gz SVHRGDWTDHUJNE-STQMWFEESA-N 2 2 294.399 0.692 20 0 CCADLP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000884196912 614705138 /nfs/dbraw/zinc/70/51/38/614705138.db2.gz FLUJIHFYCKZDGF-UONOGXRCSA-N 2 2 295.427 0.555 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876753270 614719028 /nfs/dbraw/zinc/71/90/28/614719028.db2.gz JMDSLWIISNIINA-RYUDHWBXSA-N 2 2 287.379 0.161 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876753270 614719030 /nfs/dbraw/zinc/71/90/30/614719030.db2.gz JMDSLWIISNIINA-RYUDHWBXSA-N 2 2 287.379 0.161 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000884363263 614851254 /nfs/dbraw/zinc/85/12/54/614851254.db2.gz ZFFZRSQMCXZMDI-MXWKQRLJSA-N 2 2 262.357 0.688 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000884364258 614852075 /nfs/dbraw/zinc/85/20/75/614852075.db2.gz PFRYVEWASUUVCG-MXWKQRLJSA-N 2 2 262.357 0.688 20 0 CCADLP CC1(C)[C@H]([NH2+][C@@H]2C[NH2+]CCOC2)[C@H]2CCCO[C@H]21 ZINC000925515408 614864061 /nfs/dbraw/zinc/86/40/61/614864061.db2.gz IBIBYVIQYUKXOU-FDYHWXHSSA-N 2 2 254.374 0.768 20 0 CCADLP CC1(C)[C@H]([NH2+]CCS(=O)(=O)C2CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925688969 614869413 /nfs/dbraw/zinc/86/94/13/614869413.db2.gz HWCAXKOXAKAXHD-FRRDWIJNSA-N 2 2 286.441 0.930 20 0 CCADLP CC1([NH+]2CCCCC2)CC[NH+](C[C@@H](O)CO)CC1 ZINC000931613390 614912938 /nfs/dbraw/zinc/91/29/38/614912938.db2.gz YFIJWORBBRHJSK-CYBMUJFWSA-N 2 2 256.390 0.680 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)NC(=O)CNc1cccc[nH+]1 ZINC000907935585 615000715 /nfs/dbraw/zinc/00/07/15/615000715.db2.gz UMLKDHIKZGTMFF-CYBMUJFWSA-N 2 2 294.399 0.703 20 0 CCADLP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000866181723 615004878 /nfs/dbraw/zinc/00/48/78/615004878.db2.gz FZXFAQHXKXJWFG-YPMHNXCESA-N 2 2 280.372 0.633 20 0 CCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900886683 615010071 /nfs/dbraw/zinc/01/00/71/615010071.db2.gz PKVSPDGUBTVTMU-GFCCVEGCSA-N 2 2 250.346 0.895 20 0 CCADLP CCNC(=O)CN1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903732175 615047432 /nfs/dbraw/zinc/04/74/32/615047432.db2.gz CVJGSYGTYIPUAT-AWEZNQCLSA-N 2 2 282.432 0.130 20 0 CCADLP CC[N@H+](CCNC(=O)/C=C/C[NH+]1CCOCC1)C1CC1 ZINC000865149940 615047648 /nfs/dbraw/zinc/04/76/48/615047648.db2.gz AHNDVIXZXAEIRF-ONEGZZNKSA-N 2 2 281.400 0.475 20 0 CCADLP CC[N@@H+](CCNC(=O)/C=C/C[NH+]1CCOCC1)C1CC1 ZINC000865149940 615047649 /nfs/dbraw/zinc/04/76/49/615047649.db2.gz AHNDVIXZXAEIRF-ONEGZZNKSA-N 2 2 281.400 0.475 20 0 CCADLP CCN(OC)C(=O)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000842769646 615076434 /nfs/dbraw/zinc/07/64/34/615076434.db2.gz QXSXVUHYFVSRKV-UHFFFAOYSA-N 2 2 266.345 0.647 20 0 CCADLP CCN1C(=O)[C@@H]2C[N@H+](C[C@H]3CCCC[NH2+]C3)CCN2C1=O ZINC000903734128 615080075 /nfs/dbraw/zinc/08/00/75/615080075.db2.gz OUURMFPNDKJIKN-STQMWFEESA-N 2 2 294.399 0.344 20 0 CCADLP CCN1C(=O)[C@@H]2C[N@@H+](C[C@H]3CCCC[NH2+]C3)CCN2C1=O ZINC000903734128 615080077 /nfs/dbraw/zinc/08/00/77/615080077.db2.gz OUURMFPNDKJIKN-STQMWFEESA-N 2 2 294.399 0.344 20 0 CCADLP CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000969992419 615089958 /nfs/dbraw/zinc/08/99/58/615089958.db2.gz MDRPSYGSFWYPPX-NEPJUHHUSA-N 2 2 276.384 0.902 20 0 CCADLP CC[NH+]1CCC(NC(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000864610788 615100156 /nfs/dbraw/zinc/10/01/56/615100156.db2.gz UBGWTGKJHFCFTA-ARJAWSKDSA-N 2 2 281.400 0.475 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000968752235 615118682 /nfs/dbraw/zinc/11/86/82/615118682.db2.gz KRFIJLPFLOPWOV-GFCCVEGCSA-N 2 2 276.384 0.972 20 0 CCADLP CC[NH2+][C@H]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000981356011 615132808 /nfs/dbraw/zinc/13/28/08/615132808.db2.gz BOJQZJJSANHJNO-WDEREUQCSA-N 2 2 250.346 0.989 20 0 CCADLP CC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000939536806 615136988 /nfs/dbraw/zinc/13/69/88/615136988.db2.gz XEEYLBRPHLDTSO-JQWIXIFHSA-N 2 2 250.346 0.419 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H](O)CC(C)(C)C2)CC1 ZINC000879617471 615152415 /nfs/dbraw/zinc/15/24/15/615152415.db2.gz PFNJNAHYZTYDBH-KBPBESRZSA-N 2 2 297.443 0.632 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H](O)CC(C)(C)C2)CC1 ZINC000879617471 615152416 /nfs/dbraw/zinc/15/24/16/615152416.db2.gz PFNJNAHYZTYDBH-KBPBESRZSA-N 2 2 297.443 0.632 20 0 CCADLP CC[N@@H+]1CCOC2(CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC000949483143 615163326 /nfs/dbraw/zinc/16/33/26/615163326.db2.gz NLJSOVVRUVXMFW-UHFFFAOYSA-N 2 2 292.383 0.666 20 0 CCADLP CC[N@H+]1CCOC2(CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC000949483143 615163327 /nfs/dbraw/zinc/16/33/27/615163327.db2.gz NLJSOVVRUVXMFW-UHFFFAOYSA-N 2 2 292.383 0.666 20 0 CCADLP CC[N@@H+]1CCOC2(CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC000949500523 615163449 /nfs/dbraw/zinc/16/34/49/615163449.db2.gz ILSAUYBGVGVVSI-UHFFFAOYSA-N 2 2 292.383 0.666 20 0 CCADLP CC[N@H+]1CCOC2(CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC000949500523 615163450 /nfs/dbraw/zinc/16/34/50/615163450.db2.gz ILSAUYBGVGVVSI-UHFFFAOYSA-N 2 2 292.383 0.666 20 0 CCADLP CCOC(C[NH+]1CCN(c2[nH+]ccn2C)CC1)OCC ZINC000125134181 615203581 /nfs/dbraw/zinc/20/35/81/615203581.db2.gz YIPGNKMEEBUDAL-UHFFFAOYSA-N 2 2 282.388 0.941 20 0 CCADLP CCOC(=O)N1CCC([C@H](C)[NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925644333 615226098 /nfs/dbraw/zinc/22/60/98/615226098.db2.gz LQLJGEAKYIZYAO-GXTWGEPZSA-N 2 2 299.415 0.821 20 0 CCADLP CCOC(=O)N1CC[C@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000925639502 615234281 /nfs/dbraw/zinc/23/42/81/615234281.db2.gz CGDXBPSSVWMBGS-GRYCIOLGSA-N 2 2 255.362 0.947 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2CC)CC1 ZINC000890070525 615252524 /nfs/dbraw/zinc/25/25/24/615252524.db2.gz ZCHZLDRGLYHOKD-AWEZNQCLSA-N 2 2 298.431 0.444 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+]2CC)CC1 ZINC000890070525 615252527 /nfs/dbraw/zinc/25/25/27/615252527.db2.gz ZCHZLDRGLYHOKD-AWEZNQCLSA-N 2 2 298.431 0.444 20 0 CCADLP CCOCCOCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000931067949 615271526 /nfs/dbraw/zinc/27/15/26/615271526.db2.gz VGFBEEZCPOZNCE-OAHLLOKOSA-N 2 2 286.416 0.571 20 0 CCADLP CCOCCOCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000931067949 615271527 /nfs/dbraw/zinc/27/15/27/615271527.db2.gz VGFBEEZCPOZNCE-OAHLLOKOSA-N 2 2 286.416 0.571 20 0 CCADLP CCOCCOCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000925873566 615282870 /nfs/dbraw/zinc/28/28/70/615282870.db2.gz BXTYDHKCVMFLPT-UONOGXRCSA-N 2 2 272.389 0.396 20 0 CCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000928578972 615371584 /nfs/dbraw/zinc/37/15/84/615371584.db2.gz OPGCTYONSMKXGE-QWHCGFSZSA-N 2 2 297.399 0.082 20 0 CCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000928578972 615371587 /nfs/dbraw/zinc/37/15/87/615371587.db2.gz OPGCTYONSMKXGE-QWHCGFSZSA-N 2 2 297.399 0.082 20 0 CCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000928578972 615371590 /nfs/dbraw/zinc/37/15/90/615371590.db2.gz OPGCTYONSMKXGE-QWHCGFSZSA-N 2 2 297.399 0.082 20 0 CCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000928578972 615371593 /nfs/dbraw/zinc/37/15/93/615371593.db2.gz OPGCTYONSMKXGE-QWHCGFSZSA-N 2 2 297.399 0.082 20 0 CCADLP CCOC(=O)[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000932638027 615378465 /nfs/dbraw/zinc/37/84/65/615378465.db2.gz DMFSTVGZFLYVGL-STQMWFEESA-N 2 2 272.389 0.573 20 0 CCADLP CCOC(=O)[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000932638027 615378468 /nfs/dbraw/zinc/37/84/68/615378468.db2.gz DMFSTVGZFLYVGL-STQMWFEESA-N 2 2 272.389 0.573 20 0 CCADLP CCOC(=O)[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000932638027 615378471 /nfs/dbraw/zinc/37/84/71/615378471.db2.gz DMFSTVGZFLYVGL-STQMWFEESA-N 2 2 272.389 0.573 20 0 CCADLP CCOC(=O)[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000932638027 615378472 /nfs/dbraw/zinc/37/84/72/615378472.db2.gz DMFSTVGZFLYVGL-STQMWFEESA-N 2 2 272.389 0.573 20 0 CCADLP CCOC(=O)[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000932638702 615378807 /nfs/dbraw/zinc/37/88/07/615378807.db2.gz JUOCRRFGRMMETK-WCQYABFASA-N 2 2 270.373 0.327 20 0 CCADLP CCOC(=O)[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000932638702 615378811 /nfs/dbraw/zinc/37/88/11/615378811.db2.gz JUOCRRFGRMMETK-WCQYABFASA-N 2 2 270.373 0.327 20 0 CCADLP CCOC(=O)[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000932638702 615378815 /nfs/dbraw/zinc/37/88/15/615378815.db2.gz JUOCRRFGRMMETK-WCQYABFASA-N 2 2 270.373 0.327 20 0 CCADLP CCOC(=O)[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000932638702 615378819 /nfs/dbraw/zinc/37/88/19/615378819.db2.gz JUOCRRFGRMMETK-WCQYABFASA-N 2 2 270.373 0.327 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H]([NH3+])C(C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000911827713 615381479 /nfs/dbraw/zinc/38/14/79/615381479.db2.gz WMBQOCZGZYLHEK-MCIONIFRSA-N 2 2 285.432 0.975 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H]([NH3+])C(C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000911827713 615381482 /nfs/dbraw/zinc/38/14/82/615381482.db2.gz WMBQOCZGZYLHEK-MCIONIFRSA-N 2 2 285.432 0.975 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H]1CCC[NH2+]C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911703505 615381833 /nfs/dbraw/zinc/38/18/33/615381833.db2.gz GWYCIHCDHDQCBC-KFWWJZLASA-N 2 2 297.443 0.992 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H]1CCC[NH2+]C1)[N@H+]1CCO[C@H](CC)C1 ZINC000911703505 615381836 /nfs/dbraw/zinc/38/18/36/615381836.db2.gz GWYCIHCDHDQCBC-KFWWJZLASA-N 2 2 297.443 0.992 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1NCc1cc(N(C)C)cc[nH+]1 ZINC000925813706 615388346 /nfs/dbraw/zinc/38/83/46/615388346.db2.gz VTWQOCOWBHKSOO-KGLIPLIRSA-N 2 2 292.383 0.531 20 0 CCADLP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000961738040 615440236 /nfs/dbraw/zinc/44/02/36/615440236.db2.gz SGPCPULRLSQMPJ-MEWQQHAOSA-N 2 2 274.368 0.896 20 0 CCADLP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000961738040 615440237 /nfs/dbraw/zinc/44/02/37/615440237.db2.gz SGPCPULRLSQMPJ-MEWQQHAOSA-N 2 2 274.368 0.896 20 0 CCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865907545 615474045 /nfs/dbraw/zinc/47/40/45/615474045.db2.gz TUAZLGUAEAFIJB-YVACAVLKSA-N 2 2 295.427 0.865 20 0 CCADLP CCO[C@H](CNC(=O)Cc1[nH]c[nH+]c1C)C[NH+](C)C ZINC000831723756 615480996 /nfs/dbraw/zinc/48/09/96/615480996.db2.gz JWGPVFNCRRNKCL-LLVKDONJSA-N 2 2 268.361 0.344 20 0 CCADLP CC[C@@H](O)[C@@H](C)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000900693338 615542530 /nfs/dbraw/zinc/54/25/30/615542530.db2.gz PSNVIWLNUCRNCW-UKRRQHHQSA-N 2 2 299.459 0.878 20 0 CCADLP CC[C@@H](O)[C@@H](C)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000900693338 615542531 /nfs/dbraw/zinc/54/25/31/615542531.db2.gz PSNVIWLNUCRNCW-UKRRQHHQSA-N 2 2 299.459 0.878 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)NCc2ccccn2)CC[C@@H]1[NH3+] ZINC000844222840 615563363 /nfs/dbraw/zinc/56/33/63/615563363.db2.gz MGQWSBMYTNOLNE-OCCSQVGLSA-N 2 2 276.384 0.757 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)NCc2ccccn2)CC[C@@H]1[NH3+] ZINC000844222840 615563364 /nfs/dbraw/zinc/56/33/64/615563364.db2.gz MGQWSBMYTNOLNE-OCCSQVGLSA-N 2 2 276.384 0.757 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000877432385 615568032 /nfs/dbraw/zinc/56/80/32/615568032.db2.gz COXJVVICAWAGCZ-XQQFMLRXSA-N 2 2 287.379 0.161 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000877432385 615568033 /nfs/dbraw/zinc/56/80/33/615568033.db2.gz COXJVVICAWAGCZ-XQQFMLRXSA-N 2 2 287.379 0.161 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000877435176 615568573 /nfs/dbraw/zinc/56/85/73/615568573.db2.gz YOTYLSWYZCKKRL-ZIAGYGMSSA-N 2 2 295.427 0.603 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000877435176 615568574 /nfs/dbraw/zinc/56/85/74/615568574.db2.gz YOTYLSWYZCKKRL-ZIAGYGMSSA-N 2 2 295.427 0.603 20 0 CCADLP CCn1c[nH+]c2c1CCN(C[C@@H](O)C[NH+]1CCCC1)C2 ZINC000933261094 615629011 /nfs/dbraw/zinc/62/90/11/615629011.db2.gz ANOYAEFALOTWKP-ZDUSSCGKSA-N 2 2 278.400 0.718 20 0 CCADLP CCn1nc(C)c(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])n1 ZINC000818615035 615665523 /nfs/dbraw/zinc/66/55/23/615665523.db2.gz KWLVTVVYVGDNFD-ZMLRMANQSA-N 2 2 267.377 0.448 20 0 CCADLP CC[C@H](CN1CCOCC1)[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000925825468 615720125 /nfs/dbraw/zinc/72/01/25/615720125.db2.gz DTQWEPZHJCLJHZ-ZNMIVQPWSA-N 2 2 285.432 0.454 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000925680943 615727196 /nfs/dbraw/zinc/72/71/96/615727196.db2.gz LKNUGWZHUXSKGH-GMTAPVOTSA-N 2 2 263.407 0.044 20 0 CCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CCC[N@H+](CCO)CC1 ZINC000948812117 615827290 /nfs/dbraw/zinc/82/72/90/615827290.db2.gz GWYMOXNXBDGOOO-CYBMUJFWSA-N 2 2 280.372 0.257 20 0 CCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000948812117 615827291 /nfs/dbraw/zinc/82/72/91/615827291.db2.gz GWYMOXNXBDGOOO-CYBMUJFWSA-N 2 2 280.372 0.257 20 0 CCADLP CC[C@H](O)[C@H](C)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000900693339 615837163 /nfs/dbraw/zinc/83/71/63/615837163.db2.gz PSNVIWLNUCRNCW-ZFWWWQNUSA-N 2 2 299.459 0.878 20 0 CCADLP CC[C@H](O)[C@H](C)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000900693339 615837164 /nfs/dbraw/zinc/83/71/64/615837164.db2.gz PSNVIWLNUCRNCW-ZFWWWQNUSA-N 2 2 299.459 0.878 20 0 CCADLP C[NH+](C)C1(CNC(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000868896053 615846024 /nfs/dbraw/zinc/84/60/24/615846024.db2.gz GQRYNMPBCPPNBH-ONEGZZNKSA-N 2 2 267.373 0.085 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876961794 615879388 /nfs/dbraw/zinc/87/93/88/615879388.db2.gz XFBISOYNZYGPRH-OLZOCXBDSA-N 3 2 284.448 0.360 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876961794 615879392 /nfs/dbraw/zinc/87/93/92/615879392.db2.gz XFBISOYNZYGPRH-OLZOCXBDSA-N 3 2 284.448 0.360 20 0 CCADLP C[NH+](C)CCC[NH2+]Cc1ccc(-c2nn[nH]n2)o1 ZINC000821584777 615883839 /nfs/dbraw/zinc/88/38/39/615883839.db2.gz RZCFGDGPNGLYBQ-UHFFFAOYSA-N 2 2 250.306 0.501 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000874702942 615926149 /nfs/dbraw/zinc/92/61/49/615926149.db2.gz PZYMOXCOEJDOAA-UONOGXRCSA-N 2 2 285.432 0.800 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000874702942 615926151 /nfs/dbraw/zinc/92/61/51/615926151.db2.gz PZYMOXCOEJDOAA-UONOGXRCSA-N 2 2 285.432 0.800 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000877432414 615927302 /nfs/dbraw/zinc/92/73/02/615927302.db2.gz DGGZDEALHLSGQA-AAEUAGOBSA-N 2 2 269.389 0.354 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000877432414 615927305 /nfs/dbraw/zinc/92/73/05/615927305.db2.gz DGGZDEALHLSGQA-AAEUAGOBSA-N 2 2 269.389 0.354 20 0 CCADLP C[NH+](C)C[C@@H]1NC(=O)N(Cc2c[nH+]c3n2CCCC3)C1=O ZINC000925409858 615933176 /nfs/dbraw/zinc/93/31/76/615933176.db2.gz XFXAQVUIXRCVPD-NSHDSACASA-N 2 2 291.355 0.201 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=[NH2+])N2CCCCC2)n1C ZINC000849007346 616035720 /nfs/dbraw/zinc/03/57/20/616035720.db2.gz SJIGCTMRQDWJSL-UHFFFAOYSA-N 2 2 264.377 0.996 20 0 CCADLP C[N@H+](CC(=O)NCC[NH+]1CCC2(C1)OCCO2)C1CCC1 ZINC000899063780 616047046 /nfs/dbraw/zinc/04/70/46/616047046.db2.gz KVOWFHYXLMOPDT-UHFFFAOYSA-N 2 2 297.399 0.036 20 0 CCADLP C[N@@H+](CC(=O)NCC[NH+]1CCC2(C1)OCCO2)C1CCC1 ZINC000899063780 616047047 /nfs/dbraw/zinc/04/70/47/616047047.db2.gz KVOWFHYXLMOPDT-UHFFFAOYSA-N 2 2 297.399 0.036 20 0 CCADLP C[NH+](CC(=O)NCC[N@H+]1CCC2(C1)OCCO2)C1CCC1 ZINC000899063780 616047049 /nfs/dbraw/zinc/04/70/49/616047049.db2.gz KVOWFHYXLMOPDT-UHFFFAOYSA-N 2 2 297.399 0.036 20 0 CCADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000898889087 616049061 /nfs/dbraw/zinc/04/90/61/616049061.db2.gz NUPUHYKIJZRBGH-WDEREUQCSA-N 2 2 298.412 0.007 20 0 CCADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000898889087 616049062 /nfs/dbraw/zinc/04/90/62/616049062.db2.gz NUPUHYKIJZRBGH-WDEREUQCSA-N 2 2 298.412 0.007 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+](C[C@@H]2COC(C)(C)O2)CC1 ZINC000851772195 616075747 /nfs/dbraw/zinc/07/57/47/616075747.db2.gz AEFHYOPXRUIYDT-CQSZACIVSA-N 2 2 286.416 0.917 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+](C[C@@H]2COC(C)(C)O2)CC1 ZINC000851772195 616075748 /nfs/dbraw/zinc/07/57/48/616075748.db2.gz AEFHYOPXRUIYDT-CQSZACIVSA-N 2 2 286.416 0.917 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892560061 616076354 /nfs/dbraw/zinc/07/63/54/616076354.db2.gz NSNLJAIHRKVZDP-TXEJJXNPSA-N 2 2 265.361 0.652 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H](O)C1(O)CCC1 ZINC000930125737 616076832 /nfs/dbraw/zinc/07/68/32/616076832.db2.gz PPVHOJSEQWLFQV-LBPRGKRZSA-N 2 2 253.346 0.481 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H](O)C1(O)CCC1 ZINC000930125737 616076833 /nfs/dbraw/zinc/07/68/33/616076833.db2.gz PPVHOJSEQWLFQV-LBPRGKRZSA-N 2 2 253.346 0.481 20 0 CCADLP C[N@H+](CCF)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980538186 616077875 /nfs/dbraw/zinc/07/78/75/616077875.db2.gz BLRJYFNHQNNXFD-LLVKDONJSA-N 2 2 254.309 0.385 20 0 CCADLP C[N@@H+](CCF)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980538186 616077876 /nfs/dbraw/zinc/07/78/76/616077876.db2.gz BLRJYFNHQNNXFD-LLVKDONJSA-N 2 2 254.309 0.385 20 0 CCADLP C[N@@H+](Cc1nnc2ccccn21)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000852745861 616110205 /nfs/dbraw/zinc/11/02/05/616110205.db2.gz CDGZQLGTFVUBKA-LBPRGKRZSA-N 2 2 287.367 0.682 20 0 CCADLP C[N@H+](Cc1nnc2ccccn21)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000852745861 616110207 /nfs/dbraw/zinc/11/02/07/616110207.db2.gz CDGZQLGTFVUBKA-LBPRGKRZSA-N 2 2 287.367 0.682 20 0 CCADLP C[N@H+](CCO)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000971787015 616113453 /nfs/dbraw/zinc/11/34/53/616113453.db2.gz DSRFSNMITKNVOD-LBPRGKRZSA-N 2 2 288.351 0.702 20 0 CCADLP C[N@@H+](CCO)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000971787015 616113454 /nfs/dbraw/zinc/11/34/54/616113454.db2.gz DSRFSNMITKNVOD-LBPRGKRZSA-N 2 2 288.351 0.702 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000876854614 616182803 /nfs/dbraw/zinc/18/28/03/616182803.db2.gz VNMXWJRBDPQUMD-VHSXEESVSA-N 2 2 261.316 0.536 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000876854614 616182804 /nfs/dbraw/zinc/18/28/04/616182804.db2.gz VNMXWJRBDPQUMD-VHSXEESVSA-N 2 2 261.316 0.536 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000880502832 616195022 /nfs/dbraw/zinc/19/50/22/616195022.db2.gz UVHPZXXRHYUSHV-RDBSUJKOSA-N 2 2 295.427 0.696 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000880502832 616195023 /nfs/dbraw/zinc/19/50/23/616195023.db2.gz UVHPZXXRHYUSHV-RDBSUJKOSA-N 2 2 295.427 0.696 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(=O)N1CCOCC1 ZINC000880132098 616198981 /nfs/dbraw/zinc/19/89/81/616198981.db2.gz NFSKEJSFPOLZDT-UONOGXRCSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(=O)N1CCOCC1 ZINC000880132098 616198982 /nfs/dbraw/zinc/19/89/82/616198982.db2.gz NFSKEJSFPOLZDT-UONOGXRCSA-N 2 2 281.400 0.404 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC(=O)N1CCOCC1 ZINC000880132098 616198983 /nfs/dbraw/zinc/19/89/83/616198983.db2.gz NFSKEJSFPOLZDT-UONOGXRCSA-N 2 2 281.400 0.404 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC(=O)N1CCOCC1 ZINC000880132098 616198984 /nfs/dbraw/zinc/19/89/84/616198984.db2.gz NFSKEJSFPOLZDT-UONOGXRCSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H](O)COC[C@H]1CCCO1 ZINC000880129857 616199647 /nfs/dbraw/zinc/19/96/47/616199647.db2.gz CFRPRRPQFOJCTL-LVQVYYBASA-N 2 2 298.427 0.711 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H](O)COC[C@H]1CCCO1 ZINC000880129857 616199648 /nfs/dbraw/zinc/19/96/48/616199648.db2.gz CFRPRRPQFOJCTL-LVQVYYBASA-N 2 2 298.427 0.711 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H](O)COC[C@H]1CCCO1 ZINC000880129857 616199649 /nfs/dbraw/zinc/19/96/49/616199649.db2.gz CFRPRRPQFOJCTL-LVQVYYBASA-N 2 2 298.427 0.711 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H](O)COC[C@H]1CCCO1 ZINC000880129857 616199650 /nfs/dbraw/zinc/19/96/50/616199650.db2.gz CFRPRRPQFOJCTL-LVQVYYBASA-N 2 2 298.427 0.711 20 0 CCADLP CN1CCC[C@H]([N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)C1=O ZINC000879580776 616206628 /nfs/dbraw/zinc/20/66/28/616206628.db2.gz KKMYEAJOBWUJAQ-AGIUHOORSA-N 2 2 251.374 0.633 20 0 CCADLP CN1CCC[C@H]([N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)C1=O ZINC000879580776 616206629 /nfs/dbraw/zinc/20/66/29/616206629.db2.gz KKMYEAJOBWUJAQ-AGIUHOORSA-N 2 2 251.374 0.633 20 0 CCADLP CN1CCC[C@H]([NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)C1=O ZINC000879580776 616206630 /nfs/dbraw/zinc/20/66/30/616206630.db2.gz KKMYEAJOBWUJAQ-AGIUHOORSA-N 2 2 251.374 0.633 20 0 CCADLP CN1CCC[C@H]([NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)C1=O ZINC000879580776 616206631 /nfs/dbraw/zinc/20/66/31/616206631.db2.gz KKMYEAJOBWUJAQ-AGIUHOORSA-N 2 2 251.374 0.633 20 0 CCADLP C[N@@H+]1CCC[C@H]1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865809123 616213903 /nfs/dbraw/zinc/21/39/03/616213903.db2.gz KJMOPGRZUDAYGF-DXTPNHAXSA-N 2 2 267.373 0.085 20 0 CCADLP C[N@H+]1CCC[C@H]1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865809123 616213904 /nfs/dbraw/zinc/21/39/04/616213904.db2.gz KJMOPGRZUDAYGF-DXTPNHAXSA-N 2 2 267.373 0.085 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000924839388 616223655 /nfs/dbraw/zinc/22/36/55/616223655.db2.gz LXCMHXGVRSZUIM-HUUCEWRRSA-N 2 2 294.443 0.367 20 0 CCADLP CN1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+](C)CC1 ZINC000888989799 616235660 /nfs/dbraw/zinc/23/56/60/616235660.db2.gz ZMDRFUGAENWEQV-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP CN1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+](C)CC1 ZINC000888989799 616235661 /nfs/dbraw/zinc/23/56/61/616235661.db2.gz ZMDRFUGAENWEQV-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP CN1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+](C)CC1 ZINC000888989799 616235662 /nfs/dbraw/zinc/23/56/62/616235662.db2.gz ZMDRFUGAENWEQV-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP CN1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+](C)CC1 ZINC000888989799 616235663 /nfs/dbraw/zinc/23/56/63/616235663.db2.gz ZMDRFUGAENWEQV-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP CN1CCN(C(=O)[C@@H]2CCC[NH+]2C2CC2)CC[N@H+](C)CC1 ZINC000888984886 616235814 /nfs/dbraw/zinc/23/58/14/616235814.db2.gz BZGBNTLUHYVXRN-HNNXBMFYSA-N 2 2 294.443 0.319 20 0 CCADLP CN1CCN(C(=O)[C@@H]2CCC[NH+]2C2CC2)CC[N@@H+](C)CC1 ZINC000888984886 616235815 /nfs/dbraw/zinc/23/58/15/616235815.db2.gz BZGBNTLUHYVXRN-HNNXBMFYSA-N 2 2 294.443 0.319 20 0 CCADLP CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC[NH+](C)CC1 ZINC000888984886 616235816 /nfs/dbraw/zinc/23/58/16/616235816.db2.gz BZGBNTLUHYVXRN-HNNXBMFYSA-N 2 2 294.443 0.319 20 0 CCADLP CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC[NH+](C)CC1 ZINC000888984886 616235817 /nfs/dbraw/zinc/23/58/17/616235817.db2.gz BZGBNTLUHYVXRN-HNNXBMFYSA-N 2 2 294.443 0.319 20 0 CCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CCC(N)=O)c2)CC1 ZINC000913666103 616247263 /nfs/dbraw/zinc/24/72/63/616247263.db2.gz SMHCYZVHSYZTAW-UHFFFAOYSA-N 2 2 291.355 0.037 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000923272005 616307769 /nfs/dbraw/zinc/30/77/69/616307769.db2.gz AXDIFHCXUOPNSK-NWDGAFQWSA-N 2 2 262.357 0.658 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000923272005 616307772 /nfs/dbraw/zinc/30/77/72/616307772.db2.gz AXDIFHCXUOPNSK-NWDGAFQWSA-N 2 2 262.357 0.658 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000886641878 616322165 /nfs/dbraw/zinc/32/21/65/616322165.db2.gz UUBVOMJWVRPOID-UPJWGTAASA-N 2 2 297.399 0.258 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000886641878 616322170 /nfs/dbraw/zinc/32/21/70/616322170.db2.gz UUBVOMJWVRPOID-UPJWGTAASA-N 2 2 297.399 0.258 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC[C@H]21 ZINC000827255985 616324209 /nfs/dbraw/zinc/32/42/09/616324209.db2.gz VGOJDCXHNHGCPK-UMVBOHGHSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC[C@H]21 ZINC000827255985 616324213 /nfs/dbraw/zinc/32/42/13/616324213.db2.gz VGOJDCXHNHGCPK-UMVBOHGHSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC000913277541 616393276 /nfs/dbraw/zinc/39/32/76/616393276.db2.gz WDDYVBBPLTXXSJ-OKILXGFUSA-N 2 2 262.357 0.752 20 0 CCADLP C[N@H+]1C[C@@]2(C)CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC000913277541 616393281 /nfs/dbraw/zinc/39/32/81/616393281.db2.gz WDDYVBBPLTXXSJ-OKILXGFUSA-N 2 2 262.357 0.752 20 0 CCADLP C[N@@H+]1C[C@]2(C)C[NH+](CCN3CCNC3=O)C[C@]2(C)C1 ZINC000931314926 616395723 /nfs/dbraw/zinc/39/57/23/616395723.db2.gz SGIKKISCFDLAMI-OKILXGFUSA-N 2 2 266.389 0.285 20 0 CCADLP C[N@H+]1C[C@]2(C)C[NH+](CCN3CCNC3=O)C[C@]2(C)C1 ZINC000931314926 616395729 /nfs/dbraw/zinc/39/57/29/616395729.db2.gz SGIKKISCFDLAMI-OKILXGFUSA-N 2 2 266.389 0.285 20 0 CCADLP C[NH+]1C[C@]2(C)C[N@H+](CCN3CCNC3=O)C[C@]2(C)C1 ZINC000931314926 616395730 /nfs/dbraw/zinc/39/57/30/616395730.db2.gz SGIKKISCFDLAMI-OKILXGFUSA-N 2 2 266.389 0.285 20 0 CCADLP C[NH+]1C[C@]2(C)C[N@@H+](CCN3CCNC3=O)C[C@]2(C)C1 ZINC000931314926 616395736 /nfs/dbraw/zinc/39/57/36/616395736.db2.gz SGIKKISCFDLAMI-OKILXGFUSA-N 2 2 266.389 0.285 20 0 CCADLP COCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000968533240 616407462 /nfs/dbraw/zinc/40/74/62/616407462.db2.gz HVEADAXTIPJOMZ-JSGCOSHPSA-N 2 2 294.399 0.436 20 0 CCADLP COCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000968533240 616407463 /nfs/dbraw/zinc/40/74/63/616407463.db2.gz HVEADAXTIPJOMZ-JSGCOSHPSA-N 2 2 294.399 0.436 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827277315 616437872 /nfs/dbraw/zinc/43/78/72/616437872.db2.gz JULQHEDVWWIOPA-WCQYABFASA-N 2 2 262.357 0.515 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827277315 616437876 /nfs/dbraw/zinc/43/78/76/616437876.db2.gz JULQHEDVWWIOPA-WCQYABFASA-N 2 2 262.357 0.515 20 0 CCADLP COC(=O)C1=NO[C@]2(CC[N@H+](CCn3cc[nH+]c3C)C2)C1 ZINC000879483763 616439822 /nfs/dbraw/zinc/43/98/22/616439822.db2.gz MEPOYSNZXJVVQE-CQSZACIVSA-N 2 2 292.339 0.585 20 0 CCADLP COC(=O)C1=NO[C@]2(CC[N@@H+](CCn3cc[nH+]c3C)C2)C1 ZINC000879483763 616439827 /nfs/dbraw/zinc/43/98/27/616439827.db2.gz MEPOYSNZXJVVQE-CQSZACIVSA-N 2 2 292.339 0.585 20 0 CCADLP COC(=O)C1CC[NH+](CC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000877937172 616467920 /nfs/dbraw/zinc/46/79/20/616467920.db2.gz JEDRLHREJMBVRU-UHFFFAOYSA-N 2 2 297.399 0.082 20 0 CCADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000900705952 616470949 /nfs/dbraw/zinc/47/09/49/616470949.db2.gz AWIYEBCMVLSHCH-HIFRSBDPSA-N 2 2 281.400 0.138 20 0 CCADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000900705952 616470954 /nfs/dbraw/zinc/47/09/54/616470954.db2.gz AWIYEBCMVLSHCH-HIFRSBDPSA-N 2 2 281.400 0.138 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c1 ZINC000895292038 616507096 /nfs/dbraw/zinc/50/70/96/616507096.db2.gz RJIROOZVSMZETF-YPMHNXCESA-N 2 2 277.372 0.308 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c1 ZINC000895292038 616507100 /nfs/dbraw/zinc/50/71/00/616507100.db2.gz RJIROOZVSMZETF-YPMHNXCESA-N 2 2 277.372 0.308 20 0 CCADLP C[N@H+]1C[C@H]2CN(C(=O)NCCn3cc[nH+]c3)C[C@H]2C1 ZINC000891558269 616509622 /nfs/dbraw/zinc/50/96/22/616509622.db2.gz DBCDGABWPGPDLR-TXEJJXNPSA-N 2 2 263.345 0.086 20 0 CCADLP C[N@@H+]1C[C@H]2CN(C(=O)NCCn3cc[nH+]c3)C[C@H]2C1 ZINC000891558269 616509626 /nfs/dbraw/zinc/50/96/26/616509626.db2.gz DBCDGABWPGPDLR-TXEJJXNPSA-N 2 2 263.345 0.086 20 0 CCADLP COC(=O)[C@@H]1[C@H](C[NH2+]CCn2cc[nH+]c2)C1(F)F ZINC000894148279 616514703 /nfs/dbraw/zinc/51/47/03/616514703.db2.gz WMRNTEQAZYKTNV-IUCAKERBSA-N 2 2 259.256 0.527 20 0 CCADLP COC(=O)[C@@H]1[C@H](C[NH2+]C[C@@H]2CCC[N@@H+]2C)C1(F)F ZINC000894206762 616515129 /nfs/dbraw/zinc/51/51/29/616515129.db2.gz LKYIOJMOHSEGLC-GUBZILKMSA-N 2 2 262.300 0.725 20 0 CCADLP COC(=O)[C@@H]1[C@H](C[NH2+]C[C@@H]2CCC[N@H+]2C)C1(F)F ZINC000894206762 616515131 /nfs/dbraw/zinc/51/51/31/616515131.db2.gz LKYIOJMOHSEGLC-GUBZILKMSA-N 2 2 262.300 0.725 20 0 CCADLP COCCOCCOCC[NH+]1CCC([NH+](C)C)CC1 ZINC000929265100 616551066 /nfs/dbraw/zinc/55/10/66/616551066.db2.gz XNTTUXLOVDVXOZ-UHFFFAOYSA-N 2 2 274.405 0.692 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]([NH3+])CC2CC2)C[C@H]1C ZINC000884331735 616555163 /nfs/dbraw/zinc/55/51/63/616555163.db2.gz WDVBIIXDALPVOG-DGCLKSJQSA-N 2 2 297.399 0.210 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]([NH3+])CC2CC2)C[C@H]1C ZINC000884331735 616555164 /nfs/dbraw/zinc/55/51/64/616555164.db2.gz WDVBIIXDALPVOG-DGCLKSJQSA-N 2 2 297.399 0.210 20 0 CCADLP COC(=O)[C@]12C[N@H+](C[C@@H]([NH3+])CC(F)F)C[C@H]1COCC2 ZINC000903915805 616567824 /nfs/dbraw/zinc/56/78/24/616567824.db2.gz CAPGQIJRPSXZHR-OUJBWJOFSA-N 2 2 292.326 0.480 20 0 CCADLP COC(=O)[C@]12C[N@@H+](C[C@@H]([NH3+])CC(F)F)C[C@H]1COCC2 ZINC000903915805 616567827 /nfs/dbraw/zinc/56/78/27/616567827.db2.gz CAPGQIJRPSXZHR-OUJBWJOFSA-N 2 2 292.326 0.480 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903870603 616625655 /nfs/dbraw/zinc/62/56/55/616625655.db2.gz NZEDXVJIDQBINY-BFHYXJOUSA-N 2 2 272.389 0.227 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903870603 616625656 /nfs/dbraw/zinc/62/56/56/616625656.db2.gz NZEDXVJIDQBINY-BFHYXJOUSA-N 2 2 272.389 0.227 20 0 CCADLP COC[C@H](CCO)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925113850 616650458 /nfs/dbraw/zinc/65/04/58/616650458.db2.gz XZWIOZNAAIPHPM-MELADBBJSA-N 2 2 256.390 0.990 20 0 CCADLP COC[C@H](CCO)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925113850 616650461 /nfs/dbraw/zinc/65/04/61/616650461.db2.gz XZWIOZNAAIPHPM-MELADBBJSA-N 2 2 256.390 0.990 20 0 CCADLP COC(=O)[C@H]1[C@@H](C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1(F)F ZINC000894581366 616733255 /nfs/dbraw/zinc/73/32/55/616733255.db2.gz PWRVGZVCJAWDTO-LMLFDSFASA-N 2 2 274.311 0.534 20 0 CCADLP COC(=O)[C@H]1[C@@H](C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1(F)F ZINC000894581366 616733257 /nfs/dbraw/zinc/73/32/57/616733257.db2.gz PWRVGZVCJAWDTO-LMLFDSFASA-N 2 2 274.311 0.534 20 0 CCADLP COC(=O)[C@H]1[C@@H](C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C1(F)F ZINC000894581366 616733261 /nfs/dbraw/zinc/73/32/61/616733261.db2.gz PWRVGZVCJAWDTO-LMLFDSFASA-N 2 2 274.311 0.534 20 0 CCADLP COC(=O)[C@H]1[C@@H](C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C1(F)F ZINC000894581366 616733264 /nfs/dbraw/zinc/73/32/64/616733264.db2.gz PWRVGZVCJAWDTO-LMLFDSFASA-N 2 2 274.311 0.534 20 0 CCADLP CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCc1c[nH+]cn1C ZINC000879337673 616751271 /nfs/dbraw/zinc/75/12/71/616751271.db2.gz HDBGJXJCQXZSAU-ZDUSSCGKSA-N 2 2 279.388 0.746 20 0 CCADLP CNC(=O)NC[C@@H]1CCCC[N@H+]1CCc1c[nH+]cn1C ZINC000879337673 616751275 /nfs/dbraw/zinc/75/12/75/616751275.db2.gz HDBGJXJCQXZSAU-ZDUSSCGKSA-N 2 2 279.388 0.746 20 0 CCADLP COC(=O)N(C)CC[N@H+](C)CCn1cc[nH+]c1C ZINC000852568471 616767270 /nfs/dbraw/zinc/76/72/70/616767270.db2.gz GIBCWJOYEINYMC-UHFFFAOYSA-N 2 2 254.334 0.822 20 0 CCADLP COC(=O)N(C)CC[N@@H+](C)CCn1cc[nH+]c1C ZINC000852568471 616767276 /nfs/dbraw/zinc/76/72/76/616767276.db2.gz GIBCWJOYEINYMC-UHFFFAOYSA-N 2 2 254.334 0.822 20 0 CCADLP COC(=O)N(C)CC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000850390523 616794344 /nfs/dbraw/zinc/79/43/44/616794344.db2.gz YCXJWCLPXSPIDV-UHFFFAOYSA-N 2 2 266.345 0.935 20 0 CCADLP COC(=O)N1CC([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000858151152 616808365 /nfs/dbraw/zinc/80/83/65/616808365.db2.gz VXEXYBGPOAVAFU-JTQLQIEISA-N 2 2 255.362 0.899 20 0 CCADLP COC(=O)N1CC([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000858151152 616808366 /nfs/dbraw/zinc/80/83/66/616808366.db2.gz VXEXYBGPOAVAFU-JTQLQIEISA-N 2 2 255.362 0.899 20 0 CCADLP COCCCN(C(=O)Cc1c[nH+]c[nH]1)C1CC[NH+](C)CC1 ZINC000908294326 616871079 /nfs/dbraw/zinc/87/10/79/616871079.db2.gz MIMGCIKUMBCVTH-UHFFFAOYSA-N 2 2 294.399 0.912 20 0 CCADLP COCC[N@H+](C)CCC[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000924656441 616955256 /nfs/dbraw/zinc/95/52/56/616955256.db2.gz QNHCQFKGLHTXOW-LLVKDONJSA-N 2 2 257.378 0.069 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000924656441 616955257 /nfs/dbraw/zinc/95/52/57/616955257.db2.gz QNHCQFKGLHTXOW-LLVKDONJSA-N 2 2 257.378 0.069 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]2CSC[C@H]2C1 ZINC000879564044 616968073 /nfs/dbraw/zinc/96/80/73/616968073.db2.gz GGHSPQVDAYSCHY-MJBXVCDLSA-N 2 2 288.457 0.610 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]2CSC[C@H]2C1 ZINC000879564044 616968078 /nfs/dbraw/zinc/96/80/78/616968078.db2.gz GGHSPQVDAYSCHY-MJBXVCDLSA-N 2 2 288.457 0.610 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879564044 616968081 /nfs/dbraw/zinc/96/80/81/616968081.db2.gz GGHSPQVDAYSCHY-MJBXVCDLSA-N 2 2 288.457 0.610 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879564044 616968084 /nfs/dbraw/zinc/96/80/84/616968084.db2.gz GGHSPQVDAYSCHY-MJBXVCDLSA-N 2 2 288.457 0.610 20 0 CCADLP C[NH2+]C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCOCC1 ZINC000903529659 616980103 /nfs/dbraw/zinc/98/01/03/616980103.db2.gz PJISWFFJJAWDRJ-ZDUSSCGKSA-N 2 2 269.389 0.309 20 0 CCADLP C[NH2+]C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCOCC1 ZINC000903529659 616980108 /nfs/dbraw/zinc/98/01/08/616980108.db2.gz PJISWFFJJAWDRJ-ZDUSSCGKSA-N 2 2 269.389 0.309 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@H](c2noc(C)n2)C1 ZINC000903491088 616987557 /nfs/dbraw/zinc/98/75/57/616987557.db2.gz UVZLHLJPMKXPMK-CMPLNLGQSA-N 2 2 254.334 0.138 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@H](c2noc(C)n2)C1 ZINC000903491088 616987562 /nfs/dbraw/zinc/98/75/62/616987562.db2.gz UVZLHLJPMKXPMK-CMPLNLGQSA-N 2 2 254.334 0.138 20 0 CCADLP COC(=O)c1cnoc1C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931482213 617002487 /nfs/dbraw/zinc/00/24/87/617002487.db2.gz RZMHXEMCMHTYSY-UHFFFAOYSA-N 2 2 297.355 0.350 20 0 CCADLP CON(C)C(=O)CC[NH2+]CC[NH+]1CCC(C)CC1 ZINC000818957878 617013581 /nfs/dbraw/zinc/01/35/81/617013581.db2.gz WBBKKUXBIWBCQK-UHFFFAOYSA-N 2 2 257.378 0.718 20 0 CCADLP CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000923314661 617025367 /nfs/dbraw/zinc/02/53/67/617025367.db2.gz KYJVRFLJJBVJSX-LBPRGKRZSA-N 2 2 275.418 0.142 20 0 CCADLP CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CCC[NH2+]C1CC1 ZINC000923314661 617025371 /nfs/dbraw/zinc/02/53/71/617025371.db2.gz KYJVRFLJJBVJSX-LBPRGKRZSA-N 2 2 275.418 0.142 20 0 CCADLP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000884179640 617043811 /nfs/dbraw/zinc/04/38/11/617043811.db2.gz WNUITMVWFLGTIM-CABCVRRESA-N 2 2 297.443 0.944 20 0 CCADLP C[NH2+][C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000911737315 617052640 /nfs/dbraw/zinc/05/26/40/617052640.db2.gz VACCBTKEYZGHIO-MNOVXSKESA-N 2 2 250.346 0.799 20 0 CCADLP C[NH2+][C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000911737315 617052644 /nfs/dbraw/zinc/05/26/44/617052644.db2.gz VACCBTKEYZGHIO-MNOVXSKESA-N 2 2 250.346 0.799 20 0 CCADLP CON1CC[C@H]([N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000929990402 617098092 /nfs/dbraw/zinc/09/80/92/617098092.db2.gz AGYUKFXDTZYDIR-QWRGUYRKSA-N 2 2 264.329 0.751 20 0 CCADLP CON1CC[C@H]([N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000929990402 617098094 /nfs/dbraw/zinc/09/80/94/617098094.db2.gz AGYUKFXDTZYDIR-QWRGUYRKSA-N 2 2 264.329 0.751 20 0 CCADLP CON1CC[C@H]([N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C1=O ZINC000931684424 617098619 /nfs/dbraw/zinc/09/86/19/617098619.db2.gz RJGRBXUTWIASCB-JSGCOSHPSA-N 2 2 290.367 0.754 20 0 CCADLP CON1CC[C@H]([N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C1=O ZINC000931684424 617098621 /nfs/dbraw/zinc/09/86/21/617098621.db2.gz RJGRBXUTWIASCB-JSGCOSHPSA-N 2 2 290.367 0.754 20 0 CCADLP CON1CC[C@H]([N@@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)C1=O ZINC000931318854 617099815 /nfs/dbraw/zinc/09/98/15/617099815.db2.gz VHNOIUOPCOAPMA-FPMFFAJLSA-N 2 2 267.373 0.422 20 0 CCADLP CON1CC[C@H]([N@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)C1=O ZINC000931318854 617099816 /nfs/dbraw/zinc/09/98/16/617099816.db2.gz VHNOIUOPCOAPMA-FPMFFAJLSA-N 2 2 267.373 0.422 20 0 CCADLP CON1CC[C@H]([NH+]2C[C@@]3(C)C[N@H+](C)C[C@@]3(C)C2)C1=O ZINC000931318854 617099817 /nfs/dbraw/zinc/09/98/17/617099817.db2.gz VHNOIUOPCOAPMA-FPMFFAJLSA-N 2 2 267.373 0.422 20 0 CCADLP CON1CC[C@H]([NH+]2C[C@@]3(C)C[N@@H+](C)C[C@@]3(C)C2)C1=O ZINC000931318854 617099818 /nfs/dbraw/zinc/09/98/18/617099818.db2.gz VHNOIUOPCOAPMA-FPMFFAJLSA-N 2 2 267.373 0.422 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000981079390 617151719 /nfs/dbraw/zinc/15/17/19/617151719.db2.gz DCXCYJVDDNKREY-ZDUSSCGKSA-N 2 2 294.399 0.912 20 0 CCADLP CO[C@@H](C)C[N@H+]1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000981079390 617151720 /nfs/dbraw/zinc/15/17/20/617151720.db2.gz DCXCYJVDDNKREY-ZDUSSCGKSA-N 2 2 294.399 0.912 20 0 CCADLP O=C(NCC[NH2+][C@H]1CC[NH2+]C12CCC2)c1ccco1 ZINC000925515608 625345315 /nfs/dbraw/zinc/34/53/15/625345315.db2.gz FXVBBKLWHYTEKZ-LBPRGKRZSA-N 2 2 263.341 0.884 20 0 CCADLP Cc1cc(F)ncc1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000893178775 625364352 /nfs/dbraw/zinc/36/43/52/625364352.db2.gz GZOKMIIUFKLJSJ-ZDUSSCGKSA-N 2 2 255.337 0.931 20 0 CCADLP Cc1cc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cnc1F ZINC000893179474 625364412 /nfs/dbraw/zinc/36/44/12/625364412.db2.gz SEILDJKCRUCXDJ-CYBMUJFWSA-N 2 2 255.337 0.931 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2CC[C@@H]([NH2+]CCO)[C@@H]2C1 ZINC001026254877 625377774 /nfs/dbraw/zinc/37/77/74/625377774.db2.gz YFSJZEQKXHJMMX-YNEHKIRRSA-N 2 2 292.383 0.161 20 0 CCADLP O[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)COCC1CC1 ZINC000925619034 625454518 /nfs/dbraw/zinc/45/45/18/625454518.db2.gz ZTETWVJOKNTEFF-OLZOCXBDSA-N 2 2 254.374 0.648 20 0 CCADLP C[C@@H]1[C@@H]([NH+](C)C)CCN1CCC[NH+]1CCOCC1 ZINC000931043865 625463622 /nfs/dbraw/zinc/46/36/22/625463622.db2.gz RBHRLVDBRYEIGE-KGLIPLIRSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NCc2c[nH+]cn2C)CC[NH2+]1 ZINC000892094627 622581764 /nfs/dbraw/zinc/58/17/64/622581764.db2.gz BGQXGMHDTVABTN-ZJUUUORDSA-N 2 2 251.334 0.360 20 0 CCADLP Cn1cncc1C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001022774709 622742670 /nfs/dbraw/zinc/74/26/70/622742670.db2.gz APUQUPGWVRTLDH-PHIMTYICSA-N 2 2 288.355 0.123 20 0 CCADLP C[C@H]1CC[C@H](C[NH2+][C@H]2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)O1 ZINC001022776164 622744089 /nfs/dbraw/zinc/74/40/89/622744089.db2.gz VPCQKQAEPCWGSX-CIQGVGRVSA-N 2 2 292.383 0.757 20 0 CCADLP Cc1nocc1C[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001022889451 622836831 /nfs/dbraw/zinc/83/68/31/622836831.db2.gz ISIFIRWSBXXXBO-TXEJJXNPSA-N 2 2 289.339 0.686 20 0 CCADLP OCC[N@@H+]1CCCN(c2nccn3c[nH+]cc23)CC1 ZINC000892337964 622916125 /nfs/dbraw/zinc/91/61/25/622916125.db2.gz IDOJWWRZXPIVIY-UHFFFAOYSA-N 2 2 261.329 0.234 20 0 CCADLP OCC[N@H+]1CCCN(c2nccn3c[nH+]cc23)CC1 ZINC000892337964 622916130 /nfs/dbraw/zinc/91/61/30/622916130.db2.gz IDOJWWRZXPIVIY-UHFFFAOYSA-N 2 2 261.329 0.234 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]Cc2cscn2)C1 ZINC001023161271 622931772 /nfs/dbraw/zinc/93/17/72/622931772.db2.gz UFTBBHGKIUEKDA-PHIMTYICSA-N 2 2 291.380 0.777 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC001023158788 622932373 /nfs/dbraw/zinc/93/23/73/622932373.db2.gz HHKGHTQTDGUVQJ-MELADBBJSA-N 2 2 292.383 0.547 20 0 CCADLP Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3)C2)no1 ZINC001023158942 622932525 /nfs/dbraw/zinc/93/25/25/622932525.db2.gz MLMBDZZUYRHOKC-TXEJJXNPSA-N 2 2 289.339 0.617 20 0 CCADLP [NH3+][C@H]1C[C@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000892567987 623549492 /nfs/dbraw/zinc/54/94/92/623549492.db2.gz WJIJCAFOOQACNR-IHRRRGAJSA-N 2 2 296.415 0.230 20 0 CCADLP Cc1nonc1[C@@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000924578997 623590484 /nfs/dbraw/zinc/59/04/84/623590484.db2.gz SQTJHMMIQHEHSW-LLVKDONJSA-N 2 2 267.377 0.666 20 0 CCADLP CC[NH2+]C[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001026969599 625675819 /nfs/dbraw/zinc/67/58/19/625675819.db2.gz YHWNJWZMXOUHRD-GFCCVEGCSA-N 2 2 264.373 0.811 20 0 CCADLP Cc1cc(N)nc(N2CC[NH+](C3CCOCC3)CC2)[nH+]1 ZINC000892783739 623837795 /nfs/dbraw/zinc/83/77/95/623837795.db2.gz CNNWMGKDNXDURG-UHFFFAOYSA-N 2 2 277.372 0.668 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN(c2ncccn2)CC1 ZINC000111273118 623838499 /nfs/dbraw/zinc/83/84/99/623838499.db2.gz VIQOMEHAEWQWCG-OLZOCXBDSA-N 2 2 261.373 0.454 20 0 CCADLP c1[nH+]cn2ccnc(N3CC[NH+](C[C@H]4CCOC4)CC3)c12 ZINC000892836839 623850632 /nfs/dbraw/zinc/85/06/32/623850632.db2.gz QYFNSHAZBUKLKQ-CYBMUJFWSA-N 2 2 287.367 0.888 20 0 CCADLP C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1C[NH+](CCCF)C1 ZINC000969441753 624504126 /nfs/dbraw/zinc/50/41/26/624504126.db2.gz MXTBWOOIPWCPPM-AAEUAGOBSA-N 2 2 287.379 0.113 20 0 CCADLP C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1C[NH+](CCCF)C1 ZINC000969441753 624504130 /nfs/dbraw/zinc/50/41/30/624504130.db2.gz MXTBWOOIPWCPPM-AAEUAGOBSA-N 2 2 287.379 0.113 20 0 CCADLP Cn1nccc1C[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001020635123 624556263 /nfs/dbraw/zinc/55/62/63/624556263.db2.gz GGRQRZOVAIBVRO-XYPYZODXSA-N 2 2 288.355 0.123 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]Cc2cnns2)C1 ZINC000970103701 624602930 /nfs/dbraw/zinc/60/29/30/624602930.db2.gz STGWVCMDIRHRBI-SECBINFHSA-N 2 2 292.368 0.194 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccon2)C1 ZINC001021053123 624653660 /nfs/dbraw/zinc/65/36/60/624653660.db2.gz JAFBEKCPUIXSPH-JOCQHMNTSA-N 2 2 289.339 0.617 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC000970343053 624676716 /nfs/dbraw/zinc/67/67/16/624676716.db2.gz FYFQCKNEXKNIOD-QWHCGFSZSA-N 2 2 292.383 0.569 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+]CCF)C1 ZINC000970580474 624701778 /nfs/dbraw/zinc/70/17/78/624701778.db2.gz RYUPZWAVCFDFHX-SNVBAGLBSA-N 2 2 254.309 0.421 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC000970856538 624770317 /nfs/dbraw/zinc/77/03/17/624770317.db2.gz MEIYEZXGDJKMJF-ZIAGYGMSSA-N 2 2 292.383 0.500 20 0 CCADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050247434 624803523 /nfs/dbraw/zinc/80/35/23/624803523.db2.gz ZFQJMQPOXUIXAB-UPJWGTAASA-N 2 2 253.390 0.962 20 0 CCADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050247434 624803525 /nfs/dbraw/zinc/80/35/25/624803525.db2.gz ZFQJMQPOXUIXAB-UPJWGTAASA-N 2 2 253.390 0.962 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000891350885 624822576 /nfs/dbraw/zinc/82/25/76/624822576.db2.gz WTACPJXUZKXCPW-UONOGXRCSA-N 2 2 298.431 0.620 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)CCF)C2)O1 ZINC000971782552 624907348 /nfs/dbraw/zinc/90/73/48/624907348.db2.gz XKHYGYGVMJDUQE-FRRDWIJNSA-N 2 2 287.379 0.208 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)CCF)C2)O1 ZINC000971782552 624907350 /nfs/dbraw/zinc/90/73/50/624907350.db2.gz XKHYGYGVMJDUQE-FRRDWIJNSA-N 2 2 287.379 0.208 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@H+](C)CCF)C2)O1 ZINC000971782552 624907352 /nfs/dbraw/zinc/90/73/52/624907352.db2.gz XKHYGYGVMJDUQE-FRRDWIJNSA-N 2 2 287.379 0.208 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@@H+](C)CCF)C2)O1 ZINC000971782552 624907353 /nfs/dbraw/zinc/90/73/53/624907353.db2.gz XKHYGYGVMJDUQE-FRRDWIJNSA-N 2 2 287.379 0.208 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000891980175 625015799 /nfs/dbraw/zinc/01/57/99/625015799.db2.gz SMRNZPAJJZXVSU-SNVBAGLBSA-N 2 2 251.334 0.219 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H](C[NH2+]Cc2ccccn2)C1 ZINC001027091186 625728509 /nfs/dbraw/zinc/72/85/09/625728509.db2.gz GHDWYTGRZICLBS-ZDUSSCGKSA-N 2 2 299.378 0.986 20 0 CCADLP C[C@H](O)C[N@H+](C)[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001027388614 625865000 /nfs/dbraw/zinc/86/50/00/625865000.db2.gz RLEUZQXBROSNBB-STQMWFEESA-N 2 2 294.399 0.646 20 0 CCADLP C[C@H](O)C[N@@H+](C)[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001027388614 625865007 /nfs/dbraw/zinc/86/50/07/625865007.db2.gz RLEUZQXBROSNBB-STQMWFEESA-N 2 2 294.399 0.646 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000903432679 634561579 /nfs/dbraw/zinc/56/15/79/634561579.db2.gz KDFCRSLHYXMFPF-XQHKEYJVSA-N 2 2 251.374 0.585 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000903432679 634561587 /nfs/dbraw/zinc/56/15/87/634561587.db2.gz KDFCRSLHYXMFPF-XQHKEYJVSA-N 2 2 251.374 0.585 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000903444975 634569121 /nfs/dbraw/zinc/56/91/21/634569121.db2.gz HBOGWGZFSDCTFL-OWCLPIDISA-N 3 2 280.460 0.554 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000903444975 634569126 /nfs/dbraw/zinc/56/91/26/634569126.db2.gz HBOGWGZFSDCTFL-OWCLPIDISA-N 3 2 280.460 0.554 20 0 CCADLP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](C[C@H]2CCC[NH2+]2)CC1 ZINC000903454170 634570491 /nfs/dbraw/zinc/57/04/91/634570491.db2.gz WHYFEZRTGSVZBQ-MCIONIFRSA-N 3 2 253.390 0.567 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)CS(C)(=O)=O ZINC000903470271 634572406 /nfs/dbraw/zinc/57/24/06/634572406.db2.gz JIIKYWSSOBYXMS-GHMZBOCLSA-N 2 2 260.403 0.541 20 0 CCADLP C[C@@H]1CN(CC[NH2+][C@H]2CC[NH2+]C23CCC3)CCO1 ZINC000903472694 634575073 /nfs/dbraw/zinc/57/50/73/634575073.db2.gz UYLBTXPOIVXUPW-OLZOCXBDSA-N 2 2 253.390 0.581 20 0 CCADLP Cc1nc(CC2CC[NH+](C[C@@H]3C[NH2+]CCO3)CC2)no1 ZINC000903566332 634609660 /nfs/dbraw/zinc/60/96/60/634609660.db2.gz PUYAHPLSQUWCEB-ZDUSSCGKSA-N 2 2 280.372 0.621 20 0 CCADLP C[C@@](C[NH3+])([NH2+]Cc1[nH]nc2c1COCC2)C1CC1 ZINC000903716673 634628394 /nfs/dbraw/zinc/62/83/94/634628394.db2.gz BPXBWLZZYVEQTQ-ZDUSSCGKSA-N 2 2 250.346 0.699 20 0 CCADLP [NH3+]CC12CCC(CC1)C[N@@H+]2C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903767592 634643739 /nfs/dbraw/zinc/64/37/39/634643739.db2.gz IOLDTEYQNDXGJI-FYRZTWFESA-N 3 2 279.428 0.958 20 0 CCADLP [NH3+]CC12CCC(CC1)C[N@H+]2C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903767592 634643745 /nfs/dbraw/zinc/64/37/45/634643745.db2.gz IOLDTEYQNDXGJI-FYRZTWFESA-N 3 2 279.428 0.958 20 0 CCADLP O=S1(=O)C[C@@H]2CC[N@H+](C[C@H]3CCCC[NH2+]C3)C[C@H]2C1 ZINC000903781278 634650357 /nfs/dbraw/zinc/65/03/57/634650357.db2.gz PGSPXJKEGGLKEY-IHRRRGAJSA-N 2 2 286.441 0.743 20 0 CCADLP O=S1(=O)C[C@@H]2CC[N@@H+](C[C@H]3CCCC[NH2+]C3)C[C@H]2C1 ZINC000903781278 634650365 /nfs/dbraw/zinc/65/03/65/634650365.db2.gz PGSPXJKEGGLKEY-IHRRRGAJSA-N 2 2 286.441 0.743 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cnn1C ZINC000903873737 634673763 /nfs/dbraw/zinc/67/37/63/634673763.db2.gz LXUZFCGALIVDFU-NJZAAPMLSA-N 3 2 279.432 0.515 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cnn1C ZINC000903873737 634673766 /nfs/dbraw/zinc/67/37/66/634673766.db2.gz LXUZFCGALIVDFU-NJZAAPMLSA-N 3 2 279.432 0.515 20 0 CCADLP [NH3+]C[C@H]([NH2+]Cc1ccc(N2CC[NH2+]CC2)o1)C1CC1 ZINC000904349903 634732163 /nfs/dbraw/zinc/73/21/63/634732163.db2.gz FQMMZPLSQFKCLX-ZDUSSCGKSA-N 3 2 264.373 0.516 20 0 CCADLP Cn1nccc1[C@@H]1COCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904376405 634738618 /nfs/dbraw/zinc/73/86/18/634738618.db2.gz RHYCNZASOPQLPK-LOWVWBTDSA-N 2 2 250.346 0.531 20 0 CCADLP Cn1nccc1[C@@H]1COCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904376405 634738623 /nfs/dbraw/zinc/73/86/23/634738623.db2.gz RHYCNZASOPQLPK-LOWVWBTDSA-N 2 2 250.346 0.531 20 0 CCADLP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC000904376566 634738717 /nfs/dbraw/zinc/73/87/17/634738717.db2.gz BXDMFRGKQTZUFX-ZNMIVQPWSA-N 3 2 267.417 0.910 20 0 CCADLP [NH3+][C@H]1C[C@@H](C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC000904376566 634738725 /nfs/dbraw/zinc/73/87/25/634738725.db2.gz BXDMFRGKQTZUFX-ZNMIVQPWSA-N 3 2 267.417 0.910 20 0 CCADLP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)C1 ZINC000904429493 634746919 /nfs/dbraw/zinc/74/69/19/634746919.db2.gz JKKKHEHGSYUNBM-GOEBONIOSA-N 3 2 294.443 0.402 20 0 CCADLP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)C1 ZINC000904429493 634746929 /nfs/dbraw/zinc/74/69/29/634746929.db2.gz JKKKHEHGSYUNBM-GOEBONIOSA-N 3 2 294.443 0.402 20 0 CCADLP C[C@]1(C[N@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)CCC[NH2+]C1 ZINC000904464995 634748769 /nfs/dbraw/zinc/74/87/69/634748769.db2.gz XAIKVKWLLSHHLZ-XQQFMLRXSA-N 2 2 272.414 0.353 20 0 CCADLP C[C@]1(C[N@@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)CCC[NH2+]C1 ZINC000904464995 634748772 /nfs/dbraw/zinc/74/87/72/634748772.db2.gz XAIKVKWLLSHHLZ-XQQFMLRXSA-N 2 2 272.414 0.353 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000905004133 634776272 /nfs/dbraw/zinc/77/62/72/634776272.db2.gz CBQPGKBSKZQZMT-MNOVXSKESA-N 2 2 265.361 0.650 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000905004134 634776492 /nfs/dbraw/zinc/77/64/92/634776492.db2.gz CBQPGKBSKZQZMT-QWRGUYRKSA-N 2 2 265.361 0.650 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)CC1(O)CCCC1 ZINC000905044569 634784448 /nfs/dbraw/zinc/78/44/48/634784448.db2.gz FBKNQMCCXRGWDH-STQMWFEESA-N 2 2 267.373 0.917 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]([N@@H+](C)C[C@H](C)O)C1 ZINC001027664003 630839245 /nfs/dbraw/zinc/83/92/45/630839245.db2.gz NTIRUDGZIIYKNQ-WCQYABFASA-N 2 2 294.399 0.564 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]([N@H+](C)C[C@H](C)O)C1 ZINC001027664003 630839249 /nfs/dbraw/zinc/83/92/49/630839249.db2.gz NTIRUDGZIIYKNQ-WCQYABFASA-N 2 2 294.399 0.564 20 0 CCADLP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000925880574 631429176 /nfs/dbraw/zinc/42/91/76/631429176.db2.gz SWHUWDIEWQCLER-IGHBBLSQSA-N 3 2 253.390 0.470 20 0 CCADLP C[C@@H]([NH2+]C[C@H](O)c1ccnn1C)[C@@H]1CCCC[NH2+]1 ZINC000925891749 631436891 /nfs/dbraw/zinc/43/68/91/631436891.db2.gz XHLLPKDJQDTSLC-MDZLAQPJSA-N 2 2 252.362 0.574 20 0 CCADLP Cc1cnc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)s1 ZINC000925903009 631442370 /nfs/dbraw/zinc/44/23/70/631442370.db2.gz OPVYHVXUXQHKDD-UHFFFAOYSA-N 2 2 283.401 0.996 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C(C)(C)CO ZINC000924903578 631612339 /nfs/dbraw/zinc/61/23/39/631612339.db2.gz VZKWWGCRWMNHGZ-KBPBESRZSA-N 2 2 299.459 0.926 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)C(C)(C)CO ZINC000924903578 631612341 /nfs/dbraw/zinc/61/23/41/631612341.db2.gz VZKWWGCRWMNHGZ-KBPBESRZSA-N 2 2 299.459 0.926 20 0 CCADLP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1nccn2c[nH+]cc12 ZINC000894233198 631616691 /nfs/dbraw/zinc/61/66/91/631616691.db2.gz OMQOELIXZYSZBM-NWDGAFQWSA-N 2 2 275.356 0.621 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1c1nccn2c[nH+]cc12 ZINC000894233198 631616696 /nfs/dbraw/zinc/61/66/96/631616696.db2.gz OMQOELIXZYSZBM-NWDGAFQWSA-N 2 2 275.356 0.621 20 0 CCADLP Cc1ncoc1C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000894242003 631622332 /nfs/dbraw/zinc/62/23/32/631622332.db2.gz FWDAEINPEMVPEY-LBPRGKRZSA-N 2 2 280.372 0.660 20 0 CCADLP Cc1ncoc1C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000894242003 631622341 /nfs/dbraw/zinc/62/23/41/631622341.db2.gz FWDAEINPEMVPEY-LBPRGKRZSA-N 2 2 280.372 0.660 20 0 CCADLP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ncco1 ZINC000924990702 631699232 /nfs/dbraw/zinc/69/92/32/631699232.db2.gz HKEDAFAAAAYWQG-NWDGAFQWSA-N 2 2 252.362 0.961 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ncco1 ZINC000924990710 631699621 /nfs/dbraw/zinc/69/96/21/631699621.db2.gz HKEDAFAAAAYWQG-VXGBXAGGSA-N 2 2 252.362 0.961 20 0 CCADLP Cc1ccnc(N)c1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000894469376 631776139 /nfs/dbraw/zinc/77/61/39/631776139.db2.gz NALWEXJJSJQVKH-CYBMUJFWSA-N 2 2 250.346 0.128 20 0 CCADLP Cc1ccnc(N)c1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000894469376 631776142 /nfs/dbraw/zinc/77/61/42/631776142.db2.gz NALWEXJJSJQVKH-CYBMUJFWSA-N 2 2 250.346 0.128 20 0 CCADLP Cc1cc(N)nc(NCC[N@H+]2C[C@@H](C)OC[C@H]2C)[nH+]1 ZINC000894521235 631782514 /nfs/dbraw/zinc/78/25/14/631782514.db2.gz KZXRJICATQFJKH-GHMZBOCLSA-N 2 2 265.361 0.888 20 0 CCADLP Cc1cc(N)nc(NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)[nH+]1 ZINC000894521235 631782518 /nfs/dbraw/zinc/78/25/18/631782518.db2.gz KZXRJICATQFJKH-GHMZBOCLSA-N 2 2 265.361 0.888 20 0 CCADLP Cc1cc(NC[C@]2(CO)COCC[NH2+]2)nc(C2CCC2)[nH+]1 ZINC000895123705 631957382 /nfs/dbraw/zinc/95/73/82/631957382.db2.gz DNTIZALQMGCHPC-HNNXBMFYSA-N 2 2 292.383 0.815 20 0 CCADLP C[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C)[NH+]1CCSCC1 ZINC000928559832 631994369 /nfs/dbraw/zinc/99/43/69/631994369.db2.gz ORUGYWCHPDAIDG-WDEREUQCSA-N 2 2 257.403 0.244 20 0 CCADLP C[C@@H](C(=O)NC[C@H]1CC[N@H+]1C)[NH+]1CCSCC1 ZINC000928559832 631994376 /nfs/dbraw/zinc/99/43/76/631994376.db2.gz ORUGYWCHPDAIDG-WDEREUQCSA-N 2 2 257.403 0.244 20 0 CCADLP CC(C)[NH2+]C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000984961224 632344807 /nfs/dbraw/zinc/34/48/07/632344807.db2.gz QESOSSMIJRAYAK-XYPYZODXSA-N 2 2 250.346 0.845 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C)[C@H]1C[NH+](C)CCO1 ZINC000897077267 632390176 /nfs/dbraw/zinc/39/01/76/632390176.db2.gz JIADLVGLBZSMRU-RWMBFGLXSA-N 2 2 283.416 0.695 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CC[N@H+]1C(C)(C)C)[C@H]1C[NH+](C)CCO1 ZINC000897077267 632390182 /nfs/dbraw/zinc/39/01/82/632390182.db2.gz JIADLVGLBZSMRU-RWMBFGLXSA-N 2 2 283.416 0.695 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CC[NH+]1C(C)(C)C)[C@H]1C[N@H+](C)CCO1 ZINC000897077267 632390186 /nfs/dbraw/zinc/39/01/86/632390186.db2.gz JIADLVGLBZSMRU-RWMBFGLXSA-N 2 2 283.416 0.695 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CC[NH+]1C(C)(C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000897077267 632390192 /nfs/dbraw/zinc/39/01/92/632390192.db2.gz JIADLVGLBZSMRU-RWMBFGLXSA-N 2 2 283.416 0.695 20 0 CCADLP OCC[N@@H+]1CCC[C@H]2[C@@H]1CCN2c1nccn2c[nH+]cc12 ZINC000897220365 632423060 /nfs/dbraw/zinc/42/30/60/632423060.db2.gz WLHDVBQGCGYXAE-STQMWFEESA-N 2 2 287.367 0.765 20 0 CCADLP OCC[N@H+]1CCC[C@H]2[C@@H]1CCN2c1nccn2c[nH+]cc12 ZINC000897220365 632423064 /nfs/dbraw/zinc/42/30/64/632423064.db2.gz WLHDVBQGCGYXAE-STQMWFEESA-N 2 2 287.367 0.765 20 0 CCADLP O=C(N[C@H]1CCC[N@@H+](CCF)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001007351982 650075069 /nfs/dbraw/zinc/07/50/69/650075069.db2.gz XPRXVAALGOWGIA-KBPBESRZSA-N 2 2 283.391 0.878 20 0 CCADLP O=C(N[C@H]1CCC[N@H+](CCF)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001007351982 650075071 /nfs/dbraw/zinc/07/50/71/650075071.db2.gz XPRXVAALGOWGIA-KBPBESRZSA-N 2 2 283.391 0.878 20 0 CCADLP O=S1(=O)C[C@@H]2CC[N@H+](C[C@H]3CCC[NH2+]C3)C[C@@H]2C1 ZINC000872146654 632776696 /nfs/dbraw/zinc/77/66/96/632776696.db2.gz UHBJFLSWRVKYFB-RWMBFGLXSA-N 2 2 272.414 0.353 20 0 CCADLP O=S1(=O)C[C@@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C[C@@H]2C1 ZINC000872146654 632776701 /nfs/dbraw/zinc/77/67/01/632776701.db2.gz UHBJFLSWRVKYFB-RWMBFGLXSA-N 2 2 272.414 0.353 20 0 CCADLP O=C(N[C@H](CO)C[NH+]1CCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000897764188 633236224 /nfs/dbraw/zinc/23/62/24/633236224.db2.gz AUZHIYAMCOPLBF-QJPTWQEYSA-N 2 2 278.356 0.086 20 0 CCADLP C[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)CC1 ZINC001008407103 650113748 /nfs/dbraw/zinc/11/37/48/650113748.db2.gz QBFQXTWCWPMKDZ-CYBMUJFWSA-N 2 2 271.380 0.878 20 0 CCADLP C[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)CC1 ZINC001008407103 650113749 /nfs/dbraw/zinc/11/37/49/650113749.db2.gz QBFQXTWCWPMKDZ-CYBMUJFWSA-N 2 2 271.380 0.878 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CC2CC2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000989492243 633318793 /nfs/dbraw/zinc/31/87/93/633318793.db2.gz LUZBKEASRPQJDX-GWCFXTLKSA-N 2 2 262.357 0.941 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)N2CCC[NH+](CCF)CC2)C1 ZINC000989661012 633339904 /nfs/dbraw/zinc/33/99/04/633339904.db2.gz FIADIMTYKQZYHY-LBPRGKRZSA-N 2 2 257.353 0.442 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)N2CCC[NH+](CCF)CC2)C1 ZINC000989661012 633339907 /nfs/dbraw/zinc/33/99/07/633339907.db2.gz FIADIMTYKQZYHY-LBPRGKRZSA-N 2 2 257.353 0.442 20 0 CCADLP C[NH+]1CC[C@H](C(=O)N2CCC[N@H+](CCF)CC2)C1 ZINC000989661012 633339910 /nfs/dbraw/zinc/33/99/10/633339910.db2.gz FIADIMTYKQZYHY-LBPRGKRZSA-N 2 2 257.353 0.442 20 0 CCADLP C[NH+]1CC[C@H](C(=O)N2CCC[N@@H+](CCF)CC2)C1 ZINC000989661012 633339913 /nfs/dbraw/zinc/33/99/13/633339913.db2.gz FIADIMTYKQZYHY-LBPRGKRZSA-N 2 2 257.353 0.442 20 0 CCADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccnnc1 ZINC000924754719 633807099 /nfs/dbraw/zinc/80/70/99/633807099.db2.gz GVKAPEISCTTXGV-WCQYABFASA-N 2 2 250.346 0.584 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000900761099 634080590 /nfs/dbraw/zinc/08/05/90/634080590.db2.gz OJZZUQZKNCQYOZ-UHFFFAOYSA-N 2 2 292.383 0.523 20 0 CCADLP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000907805756 635205447 /nfs/dbraw/zinc/20/54/47/635205447.db2.gz BYCDRVLEKRIRMO-LBPRGKRZSA-N 2 2 292.383 0.664 20 0 CCADLP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000907805756 635205461 /nfs/dbraw/zinc/20/54/61/635205461.db2.gz BYCDRVLEKRIRMO-LBPRGKRZSA-N 2 2 292.383 0.664 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccns2)C1 ZINC001010383859 650212836 /nfs/dbraw/zinc/21/28/36/650212836.db2.gz ZIJJYHGGXYOWAA-WCQYABFASA-N 2 2 294.424 0.928 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccns2)C1 ZINC001010383859 650212839 /nfs/dbraw/zinc/21/28/39/650212839.db2.gz ZIJJYHGGXYOWAA-WCQYABFASA-N 2 2 294.424 0.928 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccns2)C1 ZINC001010383859 650212843 /nfs/dbraw/zinc/21/28/43/650212843.db2.gz ZIJJYHGGXYOWAA-WCQYABFASA-N 2 2 294.424 0.928 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccns2)C1 ZINC001010383859 650212847 /nfs/dbraw/zinc/21/28/47/650212847.db2.gz ZIJJYHGGXYOWAA-WCQYABFASA-N 2 2 294.424 0.928 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)NC[C@@H]2CCCC[NH+]2C)CCO1 ZINC000912451761 636589403 /nfs/dbraw/zinc/58/94/03/636589403.db2.gz VTLJHDUGOODGQT-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)NC[C@@H]2CCCC[NH+]2C)CCO1 ZINC000912451761 636589405 /nfs/dbraw/zinc/58/94/05/636589405.db2.gz VTLJHDUGOODGQT-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)NC[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC000912451761 636589413 /nfs/dbraw/zinc/58/94/13/636589413.db2.gz VTLJHDUGOODGQT-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)NC[C@@H]2CCCC[N@H+]2C)CCO1 ZINC000912451761 636589420 /nfs/dbraw/zinc/58/94/20/636589420.db2.gz VTLJHDUGOODGQT-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912904658 636707368 /nfs/dbraw/zinc/70/73/68/636707368.db2.gz TWDREDRMFLNGMS-OLZOCXBDSA-N 2 2 274.368 0.752 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@H+](CCCO)C2)c[nH+]1 ZINC001014901801 637032383 /nfs/dbraw/zinc/03/23/83/637032383.db2.gz MVHFHNPPKSGVPW-ZDUSSCGKSA-N 2 2 294.399 0.500 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@@H+](CCCO)C2)c[nH+]1 ZINC001014901801 637032388 /nfs/dbraw/zinc/03/23/88/637032388.db2.gz MVHFHNPPKSGVPW-ZDUSSCGKSA-N 2 2 294.399 0.500 20 0 CCADLP CCNS(=O)(=O)CC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000230986106 637194482 /nfs/dbraw/zinc/19/44/82/637194482.db2.gz BUUDEFDWBYHUAB-OLZOCXBDSA-N 2 2 283.397 0.660 20 0 CCADLP CC[NH2+]CC1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000998152931 638897078 /nfs/dbraw/zinc/89/70/78/638897078.db2.gz CYAKUULHUCLBBL-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC([NH2+]CCO)C1 ZINC000999006845 638953782 /nfs/dbraw/zinc/95/37/82/638953782.db2.gz GJQFOCYIJVSFJI-HIFPTAJRSA-N 2 2 292.383 0.017 20 0 CCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001000321750 639070969 /nfs/dbraw/zinc/07/09/69/639070969.db2.gz VHALBQQJWMBRLQ-LLVKDONJSA-N 2 2 250.346 0.941 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC2CC[NH+](CCO)CC2)c[nH+]1 ZINC001003128785 639512343 /nfs/dbraw/zinc/51/23/43/639512343.db2.gz RVNRGKLEKXRHSM-UHFFFAOYSA-N 2 2 294.399 0.500 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001015026799 650516710 /nfs/dbraw/zinc/51/67/10/650516710.db2.gz HGZJORXLNDHWSI-JTQLQIEISA-N 2 2 266.345 0.560 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001015026799 650516712 /nfs/dbraw/zinc/51/67/12/650516712.db2.gz HGZJORXLNDHWSI-JTQLQIEISA-N 2 2 266.345 0.560 20 0 CCADLP O[C@H](C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)C(F)(F)F ZINC000923366752 640103267 /nfs/dbraw/zinc/10/32/67/640103267.db2.gz QEFJOOJQNCKTAF-NXEZZACHSA-N 2 2 252.280 0.985 20 0 CCADLP O[C@H](C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)C(F)(F)F ZINC000923366752 640103275 /nfs/dbraw/zinc/10/32/75/640103275.db2.gz QEFJOOJQNCKTAF-NXEZZACHSA-N 2 2 252.280 0.985 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CCC(=O)N2CCCC2)CC1 ZINC000838899007 640280416 /nfs/dbraw/zinc/28/04/16/640280416.db2.gz SFXFTDZUARPAOS-UHFFFAOYSA-N 2 2 291.399 0.555 20 0 CCADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[NH+](CCF)C1 ZINC001015702360 650611440 /nfs/dbraw/zinc/61/14/40/650611440.db2.gz MZXLMZKBDYPXET-RYUDHWBXSA-N 2 2 257.353 0.631 20 0 CCADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@H]1CC[NH+](CCF)C1 ZINC001015702360 650611441 /nfs/dbraw/zinc/61/14/41/650611441.db2.gz MZXLMZKBDYPXET-RYUDHWBXSA-N 2 2 257.353 0.631 20 0 CCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@H+](CCF)C1 ZINC001015702360 650611442 /nfs/dbraw/zinc/61/14/42/650611442.db2.gz MZXLMZKBDYPXET-RYUDHWBXSA-N 2 2 257.353 0.631 20 0 CCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@H]1CC[N@@H+](CCF)C1 ZINC001015702360 650611443 /nfs/dbraw/zinc/61/14/43/650611443.db2.gz MZXLMZKBDYPXET-RYUDHWBXSA-N 2 2 257.353 0.631 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)N(C)C[C@@H]2CCC[NH+]2C)CCO1 ZINC000817776033 641273332 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CC[C@@H](F)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001015996737 650672559 /nfs/dbraw/zinc/67/25/59/650672559.db2.gz PFESPHYAXLZMKF-NEPJUHHUSA-N 2 2 282.363 0.901 20 0 CCADLP CC[C@@H](F)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001015996737 650672560 /nfs/dbraw/zinc/67/25/60/650672560.db2.gz PFESPHYAXLZMKF-NEPJUHHUSA-N 2 2 282.363 0.901 20 0 CCADLP Cn1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001016255086 650707161 /nfs/dbraw/zinc/70/71/61/650707161.db2.gz LLUZBXMCDQWNNM-OLZOCXBDSA-N 2 2 291.399 0.062 20 0 CCADLP Cn1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001016255086 650707162 /nfs/dbraw/zinc/70/71/62/650707162.db2.gz LLUZBXMCDQWNNM-OLZOCXBDSA-N 2 2 291.399 0.062 20 0 CCADLP Cn1ccc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001016255086 650707164 /nfs/dbraw/zinc/70/71/64/650707164.db2.gz LLUZBXMCDQWNNM-OLZOCXBDSA-N 2 2 291.399 0.062 20 0 CCADLP Cn1ccc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001016255086 650707166 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C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000847408807 643515687 /nfs/dbraw/zinc/51/56/87/643515687.db2.gz NQFBUYGBIAWTIY-KWCYVHTRSA-N 2 2 292.383 0.568 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000847408807 643515693 /nfs/dbraw/zinc/51/56/93/643515693.db2.gz NQFBUYGBIAWTIY-KWCYVHTRSA-N 2 2 292.383 0.568 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000847408807 643515697 /nfs/dbraw/zinc/51/56/97/643515697.db2.gz NQFBUYGBIAWTIY-KWCYVHTRSA-N 2 2 292.383 0.568 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000847408807 643515703 /nfs/dbraw/zinc/51/57/03/643515703.db2.gz NQFBUYGBIAWTIY-KWCYVHTRSA-N 2 2 292.383 0.568 20 0 CCADLP C[C@@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)[C@@H]1CCC[NH2+]1 ZINC000848723002 643671682 /nfs/dbraw/zinc/67/16/82/643671682.db2.gz ZWJOCEAFYZERCN-JLLWLGSASA-N 2 2 253.346 0.700 20 0 CCADLP O=C1CC[C@H](C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)O1 ZINC000852152882 643936143 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C[C@@H](NC(=O)N(C)C[C@H](C)[NH3+])[C@@H](C)[NH+]1CCOCC1 ZINC000861574299 644893943 /nfs/dbraw/zinc/89/39/43/644893943.db2.gz RLVGIUCBHNNEDN-QJPTWQEYSA-N 2 2 272.393 0.084 20 0 CCADLP C[C@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)CN1CC[NH+](C)CC1 ZINC000925493233 645210013 /nfs/dbraw/zinc/21/00/13/645210013.db2.gz WBNWCVVRJHYYIU-KGLIPLIRSA-N 3 2 268.449 0.600 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001019653404 650995933 /nfs/dbraw/zinc/99/59/33/650995933.db2.gz IWEXVVQBYLTKMB-OLZOCXBDSA-N 2 2 292.383 0.190 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]([NH2+]CC2CC2)C1 ZINC001019654817 650996396 /nfs/dbraw/zinc/99/63/96/650996396.db2.gz DGYFLJDBUNCJQK-LBPRGKRZSA-N 2 2 262.357 0.563 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000865344563 645357361 /nfs/dbraw/zinc/35/73/61/645357361.db2.gz NKPWVLNVFOQGBZ-UPJWGTAASA-N 2 2 277.372 0.808 20 0 CCADLP O=C([C@H](O)c1c[nH+]c[nH]1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000866010300 645462437 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CCADLP CCC(CC)[C@H](C(=O)NC[C@H]1C[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000870970852 646067365 /nfs/dbraw/zinc/06/73/65/646067365.db2.gz MLZWKRDGDXJENT-BPLDGKMQSA-N 2 2 297.443 0.977 20 0 CCADLP C[C@@H](O)[C@@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)CCO1 ZINC000873214113 646359719 /nfs/dbraw/zinc/35/97/19/646359719.db2.gz YAXOTXPUOZMUGE-MFKMUULPSA-N 2 2 282.409 0.975 20 0 CCADLP C[C@@H](O)[C@@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)CCO1 ZINC000873214113 646359723 /nfs/dbraw/zinc/35/97/23/646359723.db2.gz YAXOTXPUOZMUGE-MFKMUULPSA-N 2 2 282.409 0.975 20 0 CCADLP C[C@H](CCCC[NH3+])[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000873234332 646362324 /nfs/dbraw/zinc/36/23/24/646362324.db2.gz BJCVIMZAOLPWQM-OLZOCXBDSA-N 3 2 257.422 0.939 20 0 CCADLP C[C@H](CCCC[NH3+])[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000873234332 646362330 /nfs/dbraw/zinc/36/23/30/646362330.db2.gz BJCVIMZAOLPWQM-OLZOCXBDSA-N 3 2 257.422 0.939 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000875591284 646541705 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C[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C)CC2)[C@@H](C)[C@@H](C)O1 ZINC000878481127 646916728 /nfs/dbraw/zinc/91/67/28/646916728.db2.gz ADDGPCLGAKFHQQ-FRRDWIJNSA-N 2 2 283.416 0.695 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C)CC2)[C@@H](C)[C@@H](C)O1 ZINC000878481127 646916732 /nfs/dbraw/zinc/91/67/32/646916732.db2.gz ADDGPCLGAKFHQQ-FRRDWIJNSA-N 2 2 283.416 0.695 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C)CC2)C[C@H](C2CC2)O1 ZINC000878533991 646932000 /nfs/dbraw/zinc/93/20/00/646932000.db2.gz CPDJTDJJCPUOPV-IUODEOHRSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C[C@H](C2CC2)O1 ZINC000878533991 646932003 /nfs/dbraw/zinc/93/20/03/646932003.db2.gz CPDJTDJJCPUOPV-IUODEOHRSA-N 2 2 295.427 0.696 20 0 CCADLP NC(=O)[C@H](C1CC1)[N@H+](C[C@@H](O)C[NH+]1CCCC1)CC1CC1 ZINC000879490977 647065787 /nfs/dbraw/zinc/06/57/87/647065787.db2.gz ANGQDPIBUYLLDJ-GJZGRUSLSA-N 2 2 295.427 0.419 20 0 CCADLP NC(=O)[C@H](C1CC1)[N@@H+](C[C@@H](O)C[NH+]1CCCC1)CC1CC1 ZINC000879490977 647065791 /nfs/dbraw/zinc/06/57/91/647065791.db2.gz ANGQDPIBUYLLDJ-GJZGRUSLSA-N 2 2 295.427 0.419 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879591581 647079593 /nfs/dbraw/zinc/07/95/93/647079593.db2.gz PMXIUNOOWGTGKD-ZDUSSCGKSA-N 2 2 294.443 0.365 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000879722816 647102067 /nfs/dbraw/zinc/10/20/67/647102067.db2.gz YEERZVGIWDPDBS-STQMWFEESA-N 2 2 278.356 0.171 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000879722816 647102069 /nfs/dbraw/zinc/10/20/69/647102069.db2.gz YEERZVGIWDPDBS-STQMWFEESA-N 2 2 278.356 0.171 20 0 CCADLP OC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCn1cc[nH+]c1 ZINC000880071601 647150743 /nfs/dbraw/zinc/15/07/43/647150743.db2.gz KNCBLDVFQXYKRB-QWHCGFSZSA-N 2 2 250.346 0.024 20 0 CCADLP OC[C@H]1C[N@H+]2CCC[C@H]2CN1CCn1cc[nH+]c1 ZINC000880071601 647150745 /nfs/dbraw/zinc/15/07/45/647150745.db2.gz KNCBLDVFQXYKRB-QWHCGFSZSA-N 2 2 250.346 0.024 20 0 CCADLP C[C@@H](c1ccccc1)[NH+]1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000882810538 647451832 /nfs/dbraw/zinc/45/18/32/647451832.db2.gz UAMBWXHJCYKGLP-NSHDSACASA-N 2 2 299.382 0.919 20 0 CCADLP Cc1cccc(NCC[N@@H+](C)CCOCCO)[nH+]1 ZINC000882951517 647467532 /nfs/dbraw/zinc/46/75/32/647467532.db2.gz IRKBYWHTAFEAHJ-UHFFFAOYSA-N 2 2 253.346 0.743 20 0 CCADLP Cc1cccc(NCC[N@H+](C)CCOCCO)[nH+]1 ZINC000882951517 647467534 /nfs/dbraw/zinc/46/75/34/647467534.db2.gz IRKBYWHTAFEAHJ-UHFFFAOYSA-N 2 2 253.346 0.743 20 0 CCADLP Cc1nc(C)c(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)o1 ZINC000883425079 647523928 /nfs/dbraw/zinc/52/39/28/647523928.db2.gz KWJTTWDVPCVCKK-CYBMUJFWSA-N 2 2 292.383 0.688 20 0 CCADLP Cc1nc(C)c(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)o1 ZINC000883425079 647523932 /nfs/dbraw/zinc/52/39/32/647523932.db2.gz KWJTTWDVPCVCKK-CYBMUJFWSA-N 2 2 292.383 0.688 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@@H]2C[NH2+]CCO2)c[nH+]1 ZINC000884339388 647712421 /nfs/dbraw/zinc/71/24/21/647712421.db2.gz LRIXTZDLJPTHJM-NSHDSACASA-N 2 2 266.345 0.031 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H]2C[C@]23CCOC3)CC1 ZINC000886081467 647897454 /nfs/dbraw/zinc/89/74/54/647897454.db2.gz PWVOOWRARLSYIW-ZFWWWQNUSA-N 2 2 276.384 0.969 20 0 CCADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CC1OCCO1 ZINC000887134843 648073050 /nfs/dbraw/zinc/07/30/50/648073050.db2.gz QZONWILLMRPCNU-GFCCVEGCSA-N 2 2 263.341 0.965 20 0 CCADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC1OCCO1 ZINC000887134843 648073061 /nfs/dbraw/zinc/07/30/61/648073061.db2.gz QZONWILLMRPCNU-GFCCVEGCSA-N 2 2 263.341 0.965 20 0 CCADLP c1ncn(-c2ccc(C[NH2+][C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)cn2)n1 ZINC000925551174 648442647 /nfs/dbraw/zinc/44/26/47/648442647.db2.gz AJUYRXKACDQLOQ-RDUHTLEXSA-N 2 2 296.378 0.748 20 0 CCADLP OCC[C@H]([NH2+][C@H]1C[NH2+]CCOC1)C1CCCCC1 ZINC000925616363 648448115 /nfs/dbraw/zinc/44/81/15/648448115.db2.gz RQVAFAWXRVULJP-KBPBESRZSA-N 2 2 256.390 0.896 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CC(=O)N(CC2CC2)C1 ZINC000925772334 648460555 /nfs/dbraw/zinc/46/05/55/648460555.db2.gz RFCFYFBACGVCEN-WXHSDQCUSA-N 2 2 251.374 0.585 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@@H]1CCC[NH2+]1 ZINC000925848297 648466725 /nfs/dbraw/zinc/46/67/25/648466725.db2.gz FCDNBKZXHQIUBB-AVGNSLFASA-N 3 2 281.400 0.402 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCOC1CCOCC1 ZINC000925877604 648468145 /nfs/dbraw/zinc/46/81/45/648468145.db2.gz KICYXEQAUMKUSB-QWHCGFSZSA-N 2 2 272.389 0.539 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2ccncc2F)CC1 ZINC000926084849 648484808 /nfs/dbraw/zinc/48/48/08/648484808.db2.gz ZQDGFXULGJFPQO-UHFFFAOYSA-N 2 2 281.335 0.187 20 0 CCADLP NC(=O)[C@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000926756657 648524474 /nfs/dbraw/zinc/52/44/74/648524474.db2.gz ZAHGPEDYCJFBCE-ZDEQEGDKSA-N 2 2 251.374 0.857 20 0 CCADLP NC(=O)[C@H]1C[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000926756657 648524478 /nfs/dbraw/zinc/52/44/78/648524478.db2.gz ZAHGPEDYCJFBCE-ZDEQEGDKSA-N 2 2 251.374 0.857 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928072288 648612482 /nfs/dbraw/zinc/61/24/82/648612482.db2.gz FYYVCHVBKQTNTQ-CHWSQXEVSA-N 2 2 294.424 0.888 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928072288 648612484 /nfs/dbraw/zinc/61/24/84/648612484.db2.gz FYYVCHVBKQTNTQ-CHWSQXEVSA-N 2 2 294.424 0.888 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000928431259 648631251 /nfs/dbraw/zinc/63/12/51/648631251.db2.gz MKCVDSSFYGSNTA-CKYFFXLPSA-N 2 2 250.346 0.797 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000928431259 648631257 /nfs/dbraw/zinc/63/12/57/648631257.db2.gz MKCVDSSFYGSNTA-CKYFFXLPSA-N 2 2 250.346 0.797 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000928431259 648631261 /nfs/dbraw/zinc/63/12/61/648631261.db2.gz MKCVDSSFYGSNTA-CKYFFXLPSA-N 2 2 250.346 0.797 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000928431259 648631268 /nfs/dbraw/zinc/63/12/68/648631268.db2.gz MKCVDSSFYGSNTA-CKYFFXLPSA-N 2 2 250.346 0.797 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H](O)C1(O)CCC1 ZINC000930125736 648826647 /nfs/dbraw/zinc/82/66/47/648826647.db2.gz PPVHOJSEQWLFQV-GFCCVEGCSA-N 2 2 253.346 0.481 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H](O)C1(O)CCC1 ZINC000930125736 648826652 /nfs/dbraw/zinc/82/66/52/648826652.db2.gz PPVHOJSEQWLFQV-GFCCVEGCSA-N 2 2 253.346 0.481 20 0 CCADLP C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@H+]1CCCn1cc[nH+]c1 ZINC000930835236 648913430 /nfs/dbraw/zinc/91/34/30/648913430.db2.gz AIXGUHLHKUUUOI-QJPTWQEYSA-N 2 2 250.346 0.871 20 0 CCADLP C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@@H+]1CCCn1cc[nH+]c1 ZINC000930835236 648913435 /nfs/dbraw/zinc/91/34/35/648913435.db2.gz AIXGUHLHKUUUOI-QJPTWQEYSA-N 2 2 250.346 0.871 20 0 CCADLP O=C1CC[C@H](C[NH+]2CCC([N@@H+]3CCCOCC3)CC2)O1 ZINC000931285795 648974663 /nfs/dbraw/zinc/97/46/63/648974663.db2.gz PIORTDPXMICTGH-CQSZACIVSA-N 2 2 282.384 0.879 20 0 CCADLP O=C1CC[C@H](C[NH+]2CCC([N@H+]3CCCOCC3)CC2)O1 ZINC000931285795 648974668 /nfs/dbraw/zinc/97/46/68/648974668.db2.gz PIORTDPXMICTGH-CQSZACIVSA-N 2 2 282.384 0.879 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436336 648989620 /nfs/dbraw/zinc/98/96/20/648989620.db2.gz HLTNVCXXOPJPMZ-RRFJBIMHSA-N 3 2 269.433 0.571 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436336 648989623 /nfs/dbraw/zinc/98/96/23/648989623.db2.gz HLTNVCXXOPJPMZ-RRFJBIMHSA-N 3 2 269.433 0.571 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436336 648989627 /nfs/dbraw/zinc/98/96/27/648989627.db2.gz HLTNVCXXOPJPMZ-RRFJBIMHSA-N 3 2 269.433 0.571 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931436336 648989628 /nfs/dbraw/zinc/98/96/28/648989628.db2.gz HLTNVCXXOPJPMZ-RRFJBIMHSA-N 3 2 269.433 0.571 20 0 CCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H](O)C[C@]1(O)CCOC1 ZINC000931719914 649022328 /nfs/dbraw/zinc/02/23/28/649022328.db2.gz PGYSOKZYVBIODR-GBJTYRQASA-N 2 2 284.400 0.057 20 0 CCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H](O)C[C@]1(O)CCOC1 ZINC000931719914 649022330 /nfs/dbraw/zinc/02/23/30/649022330.db2.gz PGYSOKZYVBIODR-GBJTYRQASA-N 2 2 284.400 0.057 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@H](O)C[C@]1(O)CCOC1 ZINC000931719914 649022333 /nfs/dbraw/zinc/02/23/33/649022333.db2.gz PGYSOKZYVBIODR-GBJTYRQASA-N 2 2 284.400 0.057 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@H](O)C[C@]1(O)CCOC1 ZINC000931719914 649022335 /nfs/dbraw/zinc/02/23/35/649022335.db2.gz PGYSOKZYVBIODR-GBJTYRQASA-N 2 2 284.400 0.057 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000933721306 649138259 /nfs/dbraw/zinc/13/82/59/649138259.db2.gz DQJKKTKRABLFQV-TXEJJXNPSA-N 2 2 283.397 0.329 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000933721306 649138260 /nfs/dbraw/zinc/13/82/60/649138260.db2.gz DQJKKTKRABLFQV-TXEJJXNPSA-N 2 2 283.397 0.329 20 0 CCADLP C[C@H](F)CC[NH+]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000950731977 649490520 /nfs/dbraw/zinc/49/05/20/649490520.db2.gz DFROAPYMMQGATR-NSHDSACASA-N 2 2 268.336 0.845 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(C[NH3+])c2)C1 ZINC000091662269 649708579 /nfs/dbraw/zinc/70/85/79/649708579.db2.gz PAPBBRFWAKVYCB-ZDUSSCGKSA-N 2 2 263.341 0.206 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)c2cccc(C[NH3+])c2)C1 ZINC000091662269 649708582 /nfs/dbraw/zinc/70/85/82/649708582.db2.gz PAPBBRFWAKVYCB-ZDUSSCGKSA-N 2 2 263.341 0.206 20 0 CCADLP Cc1nn(C)c(Cl)c1CN1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000250854052 649794019 /nfs/dbraw/zinc/79/40/19/649794019.db2.gz OZWDAKWSTBIHRO-SNVBAGLBSA-N 2 2 271.796 0.457 20 0 CCADLP Cc1nn(C)c(Cl)c1CN1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000250854052 649794021 /nfs/dbraw/zinc/79/40/21/649794021.db2.gz OZWDAKWSTBIHRO-SNVBAGLBSA-N 2 2 271.796 0.457 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)N1CCO[C@H](C)C1 ZINC000251945694 649822910 /nfs/dbraw/zinc/82/29/10/649822910.db2.gz ZZCNCOUODTXSSO-CHWSQXEVSA-N 2 2 271.405 0.539 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)N1CCO[C@H](C)C1 ZINC000251945694 649822911 /nfs/dbraw/zinc/82/29/11/649822911.db2.gz ZZCNCOUODTXSSO-CHWSQXEVSA-N 2 2 271.405 0.539 20 0 CCADLP CN(C)c1cc(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)nc[nH+]1 ZINC001164671281 719369517 /nfs/dbraw/zinc/36/95/17/719369517.db2.gz VVMYYHFZENECMV-WDEREUQCSA-N 2 2 263.345 0.062 20 0 CCADLP CN(C)c1cc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)nc[nH+]1 ZINC001164671281 719369520 /nfs/dbraw/zinc/36/95/20/719369520.db2.gz VVMYYHFZENECMV-WDEREUQCSA-N 2 2 263.345 0.062 20 0 CCADLP C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1cc(N)[nH+]cn1 ZINC001164926781 721876423 /nfs/dbraw/zinc/87/64/23/721876423.db2.gz SJQKJELFBQFBHJ-VXGBXAGGSA-N 2 2 276.388 0.273 20 0 CCADLP CN(C)c1cc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)[nH+]cn1 ZINC000503728675 805590310 /nfs/dbraw/zinc/59/03/10/805590310.db2.gz CNEGGNOWEJXUJO-FZMZJTMJSA-N 2 2 277.372 0.866 20 0 CCADLP CN(C)c1cc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)nc[nH+]1 ZINC000503728675 805590316 /nfs/dbraw/zinc/59/03/16/805590316.db2.gz CNEGGNOWEJXUJO-FZMZJTMJSA-N 2 2 277.372 0.866 20 0 CCADLP C(C[NH+]1CCN(CC[NH+]2CCOCC2)CC1)C1CC1 ZINC001208683293 790448807 /nfs/dbraw/zinc/44/88/07/790448807.db2.gz AHFBJIBCMBWDBE-UHFFFAOYSA-N 2 2 267.417 0.736 20 0 CCADLP CN1CC[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000705328015 790448897 /nfs/dbraw/zinc/44/88/97/790448897.db2.gz PWMPKYDWPXBOIH-SJORKVTESA-N 2 2 289.423 0.917 20 0 CCADLP CN1CC[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000705328015 790448902 /nfs/dbraw/zinc/44/89/02/790448902.db2.gz PWMPKYDWPXBOIH-SJORKVTESA-N 2 2 289.423 0.917 20 0 CCADLP CCC[N@H+](C[C@H](O)CO[C@H](C)COC)[C@@H]1CC[NH2+]C1 ZINC000300255993 790555884 /nfs/dbraw/zinc/55/58/84/790555884.db2.gz BUILCRJTVRDVCS-MCIONIFRSA-N 2 2 274.405 0.473 20 0 CCADLP CCC[N@@H+](C[C@H](O)CO[C@H](C)COC)[C@@H]1CC[NH2+]C1 ZINC000300255993 790555893 /nfs/dbraw/zinc/55/58/93/790555893.db2.gz BUILCRJTVRDVCS-MCIONIFRSA-N 2 2 274.405 0.473 20 0 CCADLP CC[N@H+](CCO)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001098532820 790695843 /nfs/dbraw/zinc/69/58/43/790695843.db2.gz GKYICOASADRFBC-UHFFFAOYSA-N 2 2 294.399 0.268 20 0 CCADLP CC[N@@H+](CCO)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001098532820 790695853 /nfs/dbraw/zinc/69/58/53/790695853.db2.gz GKYICOASADRFBC-UHFFFAOYSA-N 2 2 294.399 0.268 20 0 CCADLP O=C(NCCC[NH2+]CC1CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001161301392 790846853 /nfs/dbraw/zinc/84/68/53/790846853.db2.gz UHSXKZDLBQIHQZ-CYBMUJFWSA-N 2 2 276.384 0.951 20 0 CCADLP COCCC[N@@H+]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001266523196 790865698 /nfs/dbraw/zinc/86/56/98/790865698.db2.gz INLSJHPPGQZJQI-CQSZACIVSA-N 2 2 294.399 0.748 20 0 CCADLP COCCC[N@H+]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001266523196 790865712 /nfs/dbraw/zinc/86/57/12/790865712.db2.gz INLSJHPPGQZJQI-CQSZACIVSA-N 2 2 294.399 0.748 20 0 CCADLP Cn1cc(CC[NH2+]CCCNC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC001167346030 790933434 /nfs/dbraw/zinc/93/34/34/790933434.db2.gz FRYHMMBNTPNXOU-UHFFFAOYSA-N 2 2 290.371 0.024 20 0 CCADLP C[NH+](C)/C=C/c1ccncc1-n1cnc(C[NH3+])cc1=N ZINC001167361879 790969498 /nfs/dbraw/zinc/96/94/98/790969498.db2.gz HBGAXHSFEBFAEX-VPUJLXHNSA-N 2 2 270.340 0.738 20 0 CCADLP CCOCC[NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001167435687 791083786 /nfs/dbraw/zinc/08/37/86/791083786.db2.gz KCQCFVQAOJWWOK-ZDUSSCGKSA-N 2 2 282.388 0.967 20 0 CCADLP CCN(C(=O)[C@@H]1CC[NH2+][C@H](C(=O)OC)C1)[C@@H]1CCC[NH2+]C1 ZINC001161331374 791107654 /nfs/dbraw/zinc/10/76/54/791107654.db2.gz WUXJOLZIPAYZLC-UPJWGTAASA-N 2 2 297.399 0.128 20 0 CCADLP COC[C@@H](C(=O)OC)[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC001277570724 805857780 /nfs/dbraw/zinc/85/77/80/805857780.db2.gz DKFXJAXWEUOVTB-LBPRGKRZSA-N 2 2 270.373 0.592 20 0 CCADLP COC[C@@H](C(=O)OC)[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001277570724 805857786 /nfs/dbraw/zinc/85/77/86/805857786.db2.gz DKFXJAXWEUOVTB-LBPRGKRZSA-N 2 2 270.373 0.592 20 0 CCADLP CN(C(=O)Cc1[nH]cc[nH+]1)[C@@H](C[NH2+]CCF)C1CC1 ZINC001277708828 805973888 /nfs/dbraw/zinc/97/38/88/805973888.db2.gz AHEHNWMJGZUOOI-NSHDSACASA-N 2 2 268.336 0.748 20 0 CCADLP CCN(C(=O)Cc1cc[nH+]c(N)c1)[C@H]1CCC[NH2+]C1 ZINC001161342097 791155263 /nfs/dbraw/zinc/15/52/63/791155263.db2.gz YVRHOJBNAAIDEL-LBPRGKRZSA-N 2 2 262.357 0.807 20 0 CCADLP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]Cc2csnn2)CC[N@@H+]1C ZINC001266703170 791157622 /nfs/dbraw/zinc/15/76/22/791157622.db2.gz DBZGYTVLNPRWRE-ZYHUDNBSSA-N 2 2 297.428 0.426 20 0 CCADLP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]Cc2csnn2)CC[N@H+]1C ZINC001266703170 791157630 /nfs/dbraw/zinc/15/76/30/791157630.db2.gz DBZGYTVLNPRWRE-ZYHUDNBSSA-N 2 2 297.428 0.426 20 0 CCADLP Nc1cccc(CN2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)[nH+]1 ZINC001233370452 806047492 /nfs/dbraw/zinc/04/74/92/806047492.db2.gz BVXQNLNSGAPLJY-GASCZTMLSA-N 2 2 288.395 0.959 20 0 CCADLP Nc1cccc(CN2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)[nH+]1 ZINC001233370452 806047502 /nfs/dbraw/zinc/04/75/02/806047502.db2.gz BVXQNLNSGAPLJY-GASCZTMLSA-N 2 2 288.395 0.959 20 0 CCADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]CCCF ZINC001266943620 791381350 /nfs/dbraw/zinc/38/13/50/791381350.db2.gz ZTBHXOCZGLMQCU-SNVBAGLBSA-N 2 2 256.325 0.796 20 0 CCADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]CCCF ZINC001266943620 791381357 /nfs/dbraw/zinc/38/13/57/791381357.db2.gz ZTBHXOCZGLMQCU-SNVBAGLBSA-N 2 2 256.325 0.796 20 0 CCADLP CCOCCC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001267058003 791487417 /nfs/dbraw/zinc/48/74/17/791487417.db2.gz GDPSEVKWSBYYGZ-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](C[NH2+]CCF)C1 ZINC001267063731 791491230 /nfs/dbraw/zinc/49/12/30/791491230.db2.gz VXXPNMOGGMQOSY-SNVBAGLBSA-N 2 2 254.309 0.360 20 0 CCADLP Nc1cc(CNc2ncnc3c2C[NH2+]CC3)cc[nH+]1 ZINC001167615200 791631489 /nfs/dbraw/zinc/63/14/89/791631489.db2.gz RUKFRYZWOSUXGC-UHFFFAOYSA-N 2 2 256.313 0.712 20 0 CCADLP O=C(C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)NC1CCCCC1 ZINC000382281907 793223405 /nfs/dbraw/zinc/22/34/05/793223405.db2.gz RQGRAYUSSSWYMW-QWHCGFSZSA-N 2 2 265.401 0.977 20 0 CCADLP O=C(C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)NC1CCCCC1 ZINC000382281907 793223409 /nfs/dbraw/zinc/22/34/09/793223409.db2.gz RQGRAYUSSSWYMW-QWHCGFSZSA-N 2 2 265.401 0.977 20 0 CCADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]1C[NH2+]CCO ZINC001277883758 806299028 /nfs/dbraw/zinc/29/90/28/806299028.db2.gz ORNOPFCTNCAQNB-QWHCGFSZSA-N 2 2 292.383 0.018 20 0 CCADLP COCCOC[N@@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001277897940 806305138 /nfs/dbraw/zinc/30/51/38/806305138.db2.gz WIIGHFFFBJVQQF-MRXNPFEDSA-N 2 2 299.459 0.956 20 0 CCADLP COCCOC[N@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001277897940 806305147 /nfs/dbraw/zinc/30/51/47/806305147.db2.gz WIIGHFFFBJVQQF-MRXNPFEDSA-N 2 2 299.459 0.956 20 0 CCADLP C[C@H]([NH3+])C[N@@H+](C)C[C@@](C)(O)C(=O)OCc1ccccc1 ZINC001246058831 807136175 /nfs/dbraw/zinc/13/61/75/807136175.db2.gz LXQRRKRVJUANGW-SWLSCSKDSA-N 2 2 280.368 0.760 20 0 CCADLP S=C1C=COC1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234992862 806341339 /nfs/dbraw/zinc/34/13/39/806341339.db2.gz TYVKPAGBDDUVJM-LBPRGKRZSA-N 2 2 253.371 0.706 20 0 CCADLP c1c(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)sc2c1C[NH2+]CC2 ZINC001235053087 806355325 /nfs/dbraw/zinc/35/53/25/806355325.db2.gz JESPBVXGEGLRHO-OAHLLOKOSA-N 3 2 292.452 0.531 20 0 CCADLP c1c(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)sc2c1C[NH2+]CC2 ZINC001235053087 806355337 /nfs/dbraw/zinc/35/53/37/806355337.db2.gz JESPBVXGEGLRHO-OAHLLOKOSA-N 3 2 292.452 0.531 20 0 CCADLP Cn1ncc2cc(C[N@@H+]3CCN[C@@]4(CC[NH2+]C4)C3)ccc21 ZINC001235055369 806359115 /nfs/dbraw/zinc/35/91/15/806359115.db2.gz VQMUJCRWYAFDEM-MRXNPFEDSA-N 2 2 285.395 0.711 20 0 CCADLP Cn1ncc2cc(C[N@H+]3CCN[C@@]4(CC[NH2+]C4)C3)ccc21 ZINC001235055369 806359124 /nfs/dbraw/zinc/35/91/24/806359124.db2.gz VQMUJCRWYAFDEM-MRXNPFEDSA-N 2 2 285.395 0.711 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001235302963 806402699 /nfs/dbraw/zinc/40/26/99/806402699.db2.gz IMLPYWFPYOGPJX-ZIAGYGMSSA-N 2 2 293.415 0.366 20 0 CCADLP CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001235302963 806402702 /nfs/dbraw/zinc/40/27/02/806402702.db2.gz IMLPYWFPYOGPJX-ZIAGYGMSSA-N 2 2 293.415 0.366 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1CC[C@@]2(C1)CCC[C@H](CNC(=O)N(C)C)O2 ZINC001235545362 806450902 /nfs/dbraw/zinc/45/09/02/806450902.db2.gz DSPLTKVSPCRLAY-GZBFAFLISA-N 2 2 298.431 0.618 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1CC[C@@]2(C1)CCC[C@H](CNC(=O)N(C)C)O2 ZINC001235545362 806450906 /nfs/dbraw/zinc/45/09/06/806450906.db2.gz DSPLTKVSPCRLAY-GZBFAFLISA-N 2 2 298.431 0.618 20 0 CCADLP C[C@@H]([NH3+])CN1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001235552686 806455521 /nfs/dbraw/zinc/45/55/21/806455521.db2.gz PLGPOFLFJVICNZ-LLVKDONJSA-N 2 2 275.360 0.076 20 0 CCADLP C[C@@H](O)C[NH+]1CC2(CCN2C(=O)[C@H]2CC3CC[NH+]2CC3)C1 ZINC001277955739 806471771 /nfs/dbraw/zinc/47/17/71/806471771.db2.gz UILFXJLWASQKTL-TZMCWYRMSA-N 2 2 293.411 0.138 20 0 CCADLP CCOC(=O)[C@H]1CC[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001235832711 806506979 /nfs/dbraw/zinc/50/69/79/806506979.db2.gz CJABMLTWMLCOMY-QWRGUYRKSA-N 2 2 256.346 0.596 20 0 CCADLP CCOC(=O)[C@H]1CC[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001235832711 806506986 /nfs/dbraw/zinc/50/69/86/806506986.db2.gz CJABMLTWMLCOMY-QWRGUYRKSA-N 2 2 256.346 0.596 20 0 CCADLP CC(C)(CN1C[C@@H]2CC[C@]2([NH3+])C1)[NH+]1CCOCC1 ZINC001235977831 806520126 /nfs/dbraw/zinc/52/01/26/806520126.db2.gz IBNFVAQGNZSIMY-JSGCOSHPSA-N 2 2 253.390 0.520 20 0 CCADLP CC(C)(C[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1)N1CCOCC1 ZINC001235977831 806520132 /nfs/dbraw/zinc/52/01/32/806520132.db2.gz IBNFVAQGNZSIMY-JSGCOSHPSA-N 2 2 253.390 0.520 20 0 CCADLP CC(C)(C[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1)N1CCOCC1 ZINC001235977831 806520136 /nfs/dbraw/zinc/52/01/36/806520136.db2.gz IBNFVAQGNZSIMY-JSGCOSHPSA-N 2 2 253.390 0.520 20 0 CCADLP Cn1nnc2cc(C[N@@H+]3C[C@H]4CC[C@]4([NH3+])C3)ccc21 ZINC001235990442 806522695 /nfs/dbraw/zinc/52/26/95/806522695.db2.gz MYSXMMJOTLCHNI-RISCZKNCSA-N 2 2 257.341 0.891 20 0 CCADLP Cn1nnc2cc(C[N@H+]3C[C@H]4CC[C@]4([NH3+])C3)ccc21 ZINC001235990442 806522701 /nfs/dbraw/zinc/52/27/01/806522701.db2.gz MYSXMMJOTLCHNI-RISCZKNCSA-N 2 2 257.341 0.891 20 0 CCADLP [NH3+]CCCC[NH+]1CC2(C1)[C@@H](CF)CCS2(=O)=O ZINC001235990874 806522731 /nfs/dbraw/zinc/52/27/31/806522731.db2.gz DKRSXKKKUHTDLU-SNVBAGLBSA-N 2 2 264.366 0.184 20 0 CCADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235990899 806523326 /nfs/dbraw/zinc/52/33/26/806523326.db2.gz DUTHWCYLBWROPQ-HENWMNBSSA-N 3 2 289.370 0.383 20 0 CCADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235990899 806523331 /nfs/dbraw/zinc/52/33/31/806523331.db2.gz DUTHWCYLBWROPQ-HENWMNBSSA-N 3 2 289.370 0.383 20 0 CCADLP C[C@@H]1CNCC(F)(F)[C@@H]1C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235990899 806523335 /nfs/dbraw/zinc/52/33/35/806523335.db2.gz DUTHWCYLBWROPQ-HENWMNBSSA-N 2 2 289.370 0.383 20 0 CCADLP C[C@@H]1CNCC(F)(F)[C@@H]1C[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235990899 806523339 /nfs/dbraw/zinc/52/33/39/806523339.db2.gz DUTHWCYLBWROPQ-HENWMNBSSA-N 2 2 289.370 0.383 20 0 CCADLP COc1ccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])nc1OC ZINC001235995382 806525779 /nfs/dbraw/zinc/52/57/79/806525779.db2.gz RYFDKTNNTXPOSD-BVUQATHDSA-N 2 2 293.367 0.504 20 0 CCADLP COc1ccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])nc1OC ZINC001235995382 806525785 /nfs/dbraw/zinc/52/57/85/806525785.db2.gz RYFDKTNNTXPOSD-BVUQATHDSA-N 2 2 293.367 0.504 20 0 CCADLP CCOC(=O)N1CC[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC001246103015 807154471 /nfs/dbraw/zinc/15/44/71/807154471.db2.gz SEIWWXHTYISXBY-IJLUTSLNSA-N 2 2 255.362 0.805 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H](N[C@@H]2C[NH2+]CC[C@H]2C)C[NH2+]1 ZINC001246116090 807157991 /nfs/dbraw/zinc/15/79/91/807157991.db2.gz DNZZNYFRHRUPDX-GFQSEFKGSA-N 2 2 269.389 0.258 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)N2CC[C@@H]2C2CC2)CC1 ZINC001120649267 798902496 /nfs/dbraw/zinc/90/24/96/798902496.db2.gz QDRHLLNDMGTXLZ-CYBMUJFWSA-N 2 2 266.389 0.603 20 0 CCADLP C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@H]1[NH3+] ZINC001121896141 799087570 /nfs/dbraw/zinc/08/75/70/799087570.db2.gz GKFYZHPIPWJTFL-VHSXEESVSA-N 2 2 250.346 0.883 20 0 CCADLP C[C@H]1CCC[N@H+](CCNC(=O)C[C@H]([NH3+])C(F)F)C1 ZINC001121982254 799113577 /nfs/dbraw/zinc/11/35/77/799113577.db2.gz CUWJAHMTXBOBIH-UWVGGRQHSA-N 2 2 263.332 0.817 20 0 CCADLP C[C@H]1CCC[N@@H+](CCNC(=O)C[C@H]([NH3+])C(F)F)C1 ZINC001121982254 799113578 /nfs/dbraw/zinc/11/35/78/799113578.db2.gz CUWJAHMTXBOBIH-UWVGGRQHSA-N 2 2 263.332 0.817 20 0 CCADLP Cc1cnc(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)nc1 ZINC001237807674 806719345 /nfs/dbraw/zinc/71/93/45/806719345.db2.gz RQJSPMLNRHSHKX-LSDHHAIUSA-N 2 2 289.427 0.995 20 0 CCADLP Cc1cnc(C[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)nc1 ZINC001237807674 806719351 /nfs/dbraw/zinc/71/93/51/806719351.db2.gz RQJSPMLNRHSHKX-LSDHHAIUSA-N 2 2 289.427 0.995 20 0 CCADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H]1CC[NH2+]C1 ZINC001122215514 799172211 /nfs/dbraw/zinc/17/22/11/799172211.db2.gz YQWDNIVVBARGFG-QJPTWQEYSA-N 2 2 262.357 0.734 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)CCCC[NH2+]C ZINC001122255035 799180636 /nfs/dbraw/zinc/18/06/36/799180636.db2.gz SOBGIPRYESTWFK-CYBMUJFWSA-N 2 2 271.405 0.603 20 0 CCADLP CC[N@H+]1C[C@@H]2C(C(=O)Nc3cccc4[nH+]ccn43)=NO[C@@H]2C1 ZINC001278155752 806727023 /nfs/dbraw/zinc/72/70/23/806727023.db2.gz HAGBBOYHEBMHIL-WDEREUQCSA-N 2 2 299.334 0.979 20 0 CCADLP CC[N@@H+]1C[C@@H]2C(C(=O)Nc3cccc4[nH+]ccn43)=NO[C@@H]2C1 ZINC001278155752 806727029 /nfs/dbraw/zinc/72/70/29/806727029.db2.gz HAGBBOYHEBMHIL-WDEREUQCSA-N 2 2 299.334 0.979 20 0 CCADLP Cc1nc(N[C@@H](CO)CNC(=O)CCC[NH+](C)C)cc[nH+]1 ZINC001122417393 799229102 /nfs/dbraw/zinc/22/91/02/799229102.db2.gz WXHDKPYAWQHDDT-GFCCVEGCSA-N 2 2 295.387 0.016 20 0 CCADLP CC(C)[NH2+]CC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC001122615475 799275325 /nfs/dbraw/zinc/27/53/25/799275325.db2.gz OWOGXPHVZZLXAT-LBPRGKRZSA-N 2 2 257.378 0.164 20 0 CCADLP C[C@@]1(O)COCC[N@@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238109117 806751473 /nfs/dbraw/zinc/75/14/73/806751473.db2.gz YOJVRYUSWFSUNI-AWEZNQCLSA-N 2 2 261.325 0.918 20 0 CCADLP CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]([NH3+])Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001161177080 799682851 /nfs/dbraw/zinc/68/28/51/799682851.db2.gz ZMAKPGPDIWAAFS-YRGRVCCFSA-N 3 2 291.399 0.080 20 0 CCADLP COCC[NH2+]C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001202855647 799746036 /nfs/dbraw/zinc/74/60/36/799746036.db2.gz LDJHQXWEIHJGKS-GFCCVEGCSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[NH2+]C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001202855647 799746044 /nfs/dbraw/zinc/74/60/44/799746044.db2.gz LDJHQXWEIHJGKS-GFCCVEGCSA-N 2 2 294.399 0.815 20 0 CCADLP COC[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001161215027 800029042 /nfs/dbraw/zinc/02/90/42/800029042.db2.gz KVCAODAMERBWPZ-STQMWFEESA-N 2 2 294.399 0.576 20 0 CCADLP C[NH+](C)C1CN(C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001142218095 800100046 /nfs/dbraw/zinc/10/00/46/800100046.db2.gz HLZJYMQDBILNBY-UHFFFAOYSA-N 2 2 279.409 0.879 20 0 CCADLP C[NH+](C)C1CN(C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001142218095 800100054 /nfs/dbraw/zinc/10/00/54/800100054.db2.gz HLZJYMQDBILNBY-UHFFFAOYSA-N 2 2 279.409 0.879 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)C2CC[NH+](C)CC2)c1 ZINC001143313593 800229724 /nfs/dbraw/zinc/22/97/24/800229724.db2.gz GTLCMFDOBHOSPC-UHFFFAOYSA-N 2 2 250.346 0.421 20 0 CCADLP CC[C@@H](F)C[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149570890 800276605 /nfs/dbraw/zinc/27/66/05/800276605.db2.gz DYPWYRHLLFFUNQ-LLVKDONJSA-N 2 2 270.352 0.807 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH2+]CCNC(=O)CCc2c[nH+]cn2C)O1 ZINC001149565126 800277427 /nfs/dbraw/zinc/27/74/27/800277427.db2.gz ZLZCUEGUPQXTBC-OCCSQVGLSA-N 2 2 294.399 0.626 20 0 CCADLP CC[C@H](C(=O)NC[C@H]1C[N@H+](CCF)CCCO1)[NH+](C)C ZINC001149888917 800306374 /nfs/dbraw/zinc/30/63/74/800306374.db2.gz MIWFRUDIIMCXGC-QWHCGFSZSA-N 2 2 289.395 0.503 20 0 CCADLP CC[C@H](C(=O)NC[C@H]1C[N@@H+](CCF)CCCO1)[NH+](C)C ZINC001149888917 800306378 /nfs/dbraw/zinc/30/63/78/800306378.db2.gz MIWFRUDIIMCXGC-QWHCGFSZSA-N 2 2 289.395 0.503 20 0 CCADLP CC(C)C[N@@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150380352 800333811 /nfs/dbraw/zinc/33/38/11/800333811.db2.gz SJQDTZGWNUMJJX-AWEZNQCLSA-N 2 2 294.399 0.815 20 0 CCADLP CC(C)C[N@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150380352 800333815 /nfs/dbraw/zinc/33/38/15/800333815.db2.gz SJQDTZGWNUMJJX-AWEZNQCLSA-N 2 2 294.399 0.815 20 0 CCADLP CC(C)c1noc(C[NH2+]CCNC(=O)C[NH+]2CCCC2)n1 ZINC001151096678 800397988 /nfs/dbraw/zinc/39/79/88/800397988.db2.gz DQFXLHLSTQXZEU-UHFFFAOYSA-N 2 2 295.387 0.495 20 0 CCADLP CC(C)[NH2+]CCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001152618532 800542824 /nfs/dbraw/zinc/54/28/24/800542824.db2.gz OZRRXAPWZXWSDX-ZDUSSCGKSA-N 2 2 264.373 0.799 20 0 CCADLP CC[N@H+](CCF)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001152619413 800542847 /nfs/dbraw/zinc/54/28/47/800542847.db2.gz DZVMULNVXLJQGY-VXGBXAGGSA-N 2 2 275.368 0.113 20 0 CCADLP CC[N@@H+](CCF)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001152619413 800542850 /nfs/dbraw/zinc/54/28/50/800542850.db2.gz DZVMULNVXLJQGY-VXGBXAGGSA-N 2 2 275.368 0.113 20 0 CCADLP CC[NH+](CCF)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001152619413 800542855 /nfs/dbraw/zinc/54/28/55/800542855.db2.gz DZVMULNVXLJQGY-VXGBXAGGSA-N 2 2 275.368 0.113 20 0 CCADLP CC[NH+](CCF)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001152619413 800542856 /nfs/dbraw/zinc/54/28/56/800542856.db2.gz DZVMULNVXLJQGY-VXGBXAGGSA-N 2 2 275.368 0.113 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CCCC1CCOCC1 ZINC001153496358 800635872 /nfs/dbraw/zinc/63/58/72/800635872.db2.gz ZYKPMJSJFBWRLF-UHFFFAOYSA-N 2 2 294.399 0.796 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CCc1cccs1 ZINC001153500323 800636905 /nfs/dbraw/zinc/63/69/05/800636905.db2.gz JVQCSNSOVUGDSB-UHFFFAOYSA-N 2 2 278.381 0.893 20 0 CCADLP N=C(NC(=O)c1cccc2[nH+]ccn21)SCC[NH3+] ZINC001154526340 800794099 /nfs/dbraw/zinc/79/40/99/800794099.db2.gz PYCNYAYQKNJUCL-UHFFFAOYSA-N 2 2 263.326 0.691 20 0 CCADLP COC(=O)[C@@H]([NH3+])C1CCN(c2[nH+]cccc2N)CC1 ZINC001155153318 800919914 /nfs/dbraw/zinc/91/99/14/800919914.db2.gz PKGDPIXSDVTBKZ-NSHDSACASA-N 2 2 264.329 0.381 20 0 CCADLP COC(=O)[C@H]([NH3+])C1CCN(c2ccc(N)c[nH+]2)CC1 ZINC001155153405 800920192 /nfs/dbraw/zinc/92/01/92/800920192.db2.gz DTJDEESNONQQMU-GFCCVEGCSA-N 2 2 264.329 0.381 20 0 CCADLP Cc1cnc(NC[C@H]2C[N@H+](C)CCO2)c(C[NH3+])c1 ZINC001155197542 800929478 /nfs/dbraw/zinc/92/94/78/800929478.db2.gz PDEIZGOANDQWSD-LBPRGKRZSA-N 2 2 250.346 0.591 20 0 CCADLP Cc1cnc(NC[C@H]2C[N@@H+](C)CCO2)c(C[NH3+])c1 ZINC001155197542 800929483 /nfs/dbraw/zinc/92/94/83/800929483.db2.gz PDEIZGOANDQWSD-LBPRGKRZSA-N 2 2 250.346 0.591 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)c2cccc3c[nH+]cn32)C1 ZINC001155801620 801053810 /nfs/dbraw/zinc/05/38/10/801053810.db2.gz SAWRBSFCAUBUAY-GFCCVEGCSA-N 2 2 274.324 0.395 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)c2cccc3c[nH+]cn32)C1 ZINC001155801620 801053814 /nfs/dbraw/zinc/05/38/14/801053814.db2.gz SAWRBSFCAUBUAY-GFCCVEGCSA-N 2 2 274.324 0.395 20 0 CCADLP Cc1cc(N(CC[NH3+])CCO)nc(C(C)(C)C)[nH+]1 ZINC001155952522 801084240 /nfs/dbraw/zinc/08/42/40/801084240.db2.gz BIEQPIAMGLPHEE-UHFFFAOYSA-N 2 2 252.362 0.840 20 0 CCADLP CC(C)N(CCC[NH3+])c1cc(N2CCOCC2)[nH+]cn1 ZINC001156118344 801113665 /nfs/dbraw/zinc/11/36/65/801113665.db2.gz FDGQMWXIIOLAJL-UHFFFAOYSA-N 2 2 279.388 0.877 20 0 CCADLP CC(C)N(CCC[NH3+])c1cc(N2CCOCC2)nc[nH+]1 ZINC001156118344 801113669 /nfs/dbraw/zinc/11/36/69/801113669.db2.gz FDGQMWXIIOLAJL-UHFFFAOYSA-N 2 2 279.388 0.877 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2cscn2)C1 ZINC001156125008 801113857 /nfs/dbraw/zinc/11/38/57/801113857.db2.gz DUBBOJVYWLRLGO-LBPRGKRZSA-N 2 2 298.412 0.070 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)NCCC[NH2+]Cc2cscn2)C1 ZINC001156125008 801113853 /nfs/dbraw/zinc/11/38/53/801113853.db2.gz DUBBOJVYWLRLGO-LBPRGKRZSA-N 2 2 298.412 0.070 20 0 CCADLP C[NH+]1CCN(c2cccc(NC[C@H]3CCC(=O)N3)[nH+]2)CC1 ZINC001156150522 801117531 /nfs/dbraw/zinc/11/75/31/801117531.db2.gz AIEAACZZZAGPAI-GFCCVEGCSA-N 2 2 289.383 0.524 20 0 CCADLP COCCOCC[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157265522 801334935 /nfs/dbraw/zinc/33/49/35/801334935.db2.gz UFXIADHKRRWLBU-UHFFFAOYSA-N 2 2 298.387 0.101 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@H]2[NH2+]CC[C@@H]2O)[C@H](c2ccccc2)C1 ZINC001157507156 801401169 /nfs/dbraw/zinc/40/11/69/801401169.db2.gz FASBCWZMZLQGGC-KKUMJFAQSA-N 2 2 289.379 0.225 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]2[NH2+]CC[C@@H]2O)[C@H](c2ccccc2)C1 ZINC001157507156 801401173 /nfs/dbraw/zinc/40/11/73/801401173.db2.gz FASBCWZMZLQGGC-KKUMJFAQSA-N 2 2 289.379 0.225 20 0 CCADLP CC(C)(C)OC(=O)O[C@H]1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C1 ZINC001157594054 801428682 /nfs/dbraw/zinc/42/86/82/801428682.db2.gz ZESNMZGOWGWYOI-VWYCJHECSA-N 2 2 299.371 0.228 20 0 CCADLP COc1nc(Cl)nc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001157914875 801518708 /nfs/dbraw/zinc/51/87/08/801518708.db2.gz NXADWPCQXKBBKV-UHFFFAOYSA-N 2 2 285.739 0.128 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cnc3cccnc3n2)CC1 ZINC001157915472 801520912 /nfs/dbraw/zinc/52/09/12/801520912.db2.gz YXGWMBBHJNWMKH-UHFFFAOYSA-N 2 2 271.328 0.619 20 0 CCADLP C[C@]1(F)CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C[C@H]1F ZINC001157923966 801524734 /nfs/dbraw/zinc/52/47/34/801524734.db2.gz GZOGEKPFGZETCX-JKKYPKHBSA-N 2 2 273.327 0.507 20 0 CCADLP C[C@]1(CF)CC(F)(F)CN1C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001157952031 801537449 /nfs/dbraw/zinc/53/74/49/801537449.db2.gz KXTVQKAIQWFNDP-OYNCUSHFSA-N 2 2 265.279 0.129 20 0 CCADLP CSc1cccnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158206264 801594757 /nfs/dbraw/zinc/59/47/57/801594757.db2.gz GYGNIPKOCHQSOL-SECBINFHSA-N 2 2 264.354 0.851 20 0 CCADLP Cc1cncc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158259346 801608878 /nfs/dbraw/zinc/60/88/78/801608878.db2.gz QWOLZXZFLCSLRS-LBPRGKRZSA-N 2 2 261.373 0.787 20 0 CCADLP Cc1cncc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158259346 801608882 /nfs/dbraw/zinc/60/88/82/801608882.db2.gz QWOLZXZFLCSLRS-LBPRGKRZSA-N 2 2 261.373 0.787 20 0 CCADLP CCOc1cc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)ncn1 ZINC001158268874 801609970 /nfs/dbraw/zinc/60/99/70/801609970.db2.gz NLECYQAGMOAGLQ-GFCCVEGCSA-N 2 2 291.399 0.877 20 0 CCADLP CCOc1cc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)ncn1 ZINC001158268874 801609973 /nfs/dbraw/zinc/60/99/73/801609973.db2.gz NLECYQAGMOAGLQ-GFCCVEGCSA-N 2 2 291.399 0.877 20 0 CCADLP COCCOC1CN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC001158973896 801731177 /nfs/dbraw/zinc/73/11/77/801731177.db2.gz BOEUFXGFMNSZQE-UHFFFAOYSA-N 2 2 292.383 0.343 20 0 CCADLP [NH3+]C1CCN(c2cccc(NC[C@H]3COCC[NH2+]3)[nH+]2)CC1 ZINC001159044040 801749026 /nfs/dbraw/zinc/74/90/26/801749026.db2.gz MTNWORAGTALFPD-ZDUSSCGKSA-N 3 2 291.399 0.409 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCCC[NH2+]CCOCC1CC1 ZINC001159539949 801831633 /nfs/dbraw/zinc/83/16/33/801831633.db2.gz HBTBYINNMRUERZ-UHFFFAOYSA-N 2 2 294.399 0.865 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCCC[NH2+]CCOCC1CC1 ZINC001159539949 801831639 /nfs/dbraw/zinc/83/16/39/801831639.db2.gz HBTBYINNMRUERZ-UHFFFAOYSA-N 2 2 294.399 0.865 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@H]1Nc1cc(N2CCCCC2)[nH+]cn1 ZINC001159682196 801851144 /nfs/dbraw/zinc/85/11/44/801851144.db2.gz RCKFPYOBGCOVOZ-NWDGAFQWSA-N 2 2 277.372 0.459 20 0 CCADLP O=C(NCCC[NH2+]C[C@@H]1CCOC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160332228 801930505 /nfs/dbraw/zinc/93/05/05/801930505.db2.gz KQFVBCDVQNMVMA-YNEHKIRRSA-N 2 2 292.383 0.646 20 0 CCADLP O=C(NCCC[NH2+]C[C@@H]1CCOC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160332228 801930510 /nfs/dbraw/zinc/93/05/10/801930510.db2.gz KQFVBCDVQNMVMA-YNEHKIRRSA-N 2 2 292.383 0.646 20 0 CCADLP C[NH2+]Cc1ccc(NC(=O)C[NH2+]C2CC[NH2+]CC2)cc1 ZINC001160443755 801941521 /nfs/dbraw/zinc/94/15/21/801941521.db2.gz OFUBAWMUKJKWTR-UHFFFAOYSA-N 3 2 276.384 0.686 20 0 CCADLP Cc1c[nH+]c(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)cc1N ZINC001160512375 801956603 /nfs/dbraw/zinc/95/66/03/801956603.db2.gz ARIOKJZUXKRSAV-AWEZNQCLSA-N 3 2 261.373 0.807 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC[C@H]2COCc2ccccc2)C1 ZINC001160525730 801962402 /nfs/dbraw/zinc/96/24/02/801962402.db2.gz CUROEOFWPDQMJM-ILXRZTDVSA-N 2 2 289.379 0.493 20 0 CCADLP [NH3+]C1(C(=O)N2CCC[C@H]2c2nccs2)CC[NH2+]CC1 ZINC001160686056 801999433 /nfs/dbraw/zinc/99/94/33/801999433.db2.gz NFXIVBZNWNFIMF-JTQLQIEISA-N 2 2 280.397 0.888 20 0 CCADLP CN(C[C@H]1CCC[NH2+]C1)C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001160697999 802004616 /nfs/dbraw/zinc/00/46/16/802004616.db2.gz DQYRJPPHRRKIKG-SWLSCSKDSA-N 3 2 290.411 0.717 20 0 CCADLP CN(C[C@H]1CC1(C)C)C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001160711590 802007937 /nfs/dbraw/zinc/00/79/37/802007937.db2.gz RYKWXHFBBAAUHY-BIAAXOCRSA-N 2 2 251.374 0.713 20 0 CCADLP C[C@@H]1CO[C@@H]2CN(C(=O)c3ccc([C@@H]([NH3+])C[NH3+])cc3)C[C@H]12 ZINC001160756284 802015209 /nfs/dbraw/zinc/01/52/09/802015209.db2.gz JBQCUGIZSPIUGF-QPKOPYBWSA-N 2 2 289.379 0.752 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCCC2(CC(F)C2)CC1 ZINC001160755889 802015441 /nfs/dbraw/zinc/01/54/41/802015441.db2.gz AYXRKOLFJVTDBB-ATJQQHLPSA-N 2 2 269.364 0.664 20 0 CCADLP CCOCC[NH2+]CCCNC(=O)Cc1c[nH+]ccc1OC ZINC001160844845 802027942 /nfs/dbraw/zinc/02/79/42/802027942.db2.gz YSOZDGJUINIPNK-UHFFFAOYSA-N 2 2 295.383 0.765 20 0 CCADLP CC[NH2+]CCCNC(=O)Cc1c[nH+]ccc1OC ZINC001160844490 802028566 /nfs/dbraw/zinc/02/85/66/802028566.db2.gz HKTWYUSDFFCTJN-UHFFFAOYSA-N 2 2 251.330 0.749 20 0 CCADLP CCN(C(=O)[C@@H]([NH3+])Cc1cccc(O)c1)C1C[NH+](C)C1 ZINC001161137303 802099392 /nfs/dbraw/zinc/09/93/92/802099392.db2.gz CMJAWIDDYLWVHG-AWEZNQCLSA-N 2 2 277.368 0.425 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCCC1=CC[N@H+](CCO)CC1 ZINC001161336154 802130919 /nfs/dbraw/zinc/13/09/19/802130919.db2.gz MDGZHOKDQNZZKM-UHFFFAOYSA-N 2 2 278.356 0.083 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCCC1=CC[N@@H+](CCO)CC1 ZINC001161336154 802130923 /nfs/dbraw/zinc/13/09/23/802130923.db2.gz MDGZHOKDQNZZKM-UHFFFAOYSA-N 2 2 278.356 0.083 20 0 CCADLP CCN(C(=O)[C@@]1(C)CC(F)(F)C[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC001161333461 802131051 /nfs/dbraw/zinc/13/10/51/802131051.db2.gz UZPMWCGVEBBUNB-CMPLNLGQSA-N 2 2 275.343 0.974 20 0 CCADLP C[C@@H](O)[C@@H](CO)Nc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001161778508 802222197 /nfs/dbraw/zinc/22/21/97/802222197.db2.gz RVDKLXXISDNBDE-UXIGCNINSA-N 2 2 279.384 0.373 20 0 CCADLP C[C@@H](O)[C@@H](CO)Nc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001161778508 802222200 /nfs/dbraw/zinc/22/22/00/802222200.db2.gz RVDKLXXISDNBDE-UXIGCNINSA-N 2 2 279.384 0.373 20 0 CCADLP COC(=O)c1[nH+]ccc(NC[C@@H]2C[C@H](F)C[NH2+]2)c1C ZINC001162481001 802345721 /nfs/dbraw/zinc/34/57/21/802345721.db2.gz BSCAVORSQRLHPF-UWVGGRQHSA-N 2 2 267.304 0.710 20 0 CCADLP Cc1cc[nH+]c(NC[C@@H]2CC[NH2+]C[C@@H]2F)c1C(N)=O ZINC001162802146 802421708 /nfs/dbraw/zinc/42/17/08/802421708.db2.gz NCHCRBVBEGUXKY-UWVGGRQHSA-N 2 2 266.320 0.848 20 0 CCADLP COCCOc1cc(N[C@@H]2COC[C@@H]2[NH3+])cc[nH+]1 ZINC001162926440 802439211 /nfs/dbraw/zinc/43/92/11/802439211.db2.gz SSOCHKANNMWLRW-WDEREUQCSA-N 2 2 253.302 0.245 20 0 CCADLP c1cc2c([nH+]c1N[C@@H]1COCCC13C[NH2+]C3)CCOC2 ZINC001163070441 802473270 /nfs/dbraw/zinc/47/32/70/802473270.db2.gz XVXAZGXHCYKMAC-CYBMUJFWSA-N 2 2 275.352 0.945 20 0 CCADLP Nc1cn2ccc(N[C@@H]3COCCC34C[NH2+]C4)cc2[nH+]1 ZINC001163072617 802474006 /nfs/dbraw/zinc/47/40/06/802474006.db2.gz KHFKXNLGEGWJNB-LLVKDONJSA-N 2 2 273.340 0.707 20 0 CCADLP O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ccn3cc[nH+]c3c2)N1 ZINC001163241455 802514659 /nfs/dbraw/zinc/51/46/59/802514659.db2.gz NSYKDCQRLJJZLU-GXFFZTMASA-N 2 2 257.297 0.324 20 0 CCADLP C[N@@H+]1CCc2ncnc(N[C@H]3C[NH2+][C@@H]4CCO[C@@H]43)c2C1 ZINC001163336059 802536526 /nfs/dbraw/zinc/53/65/26/802536526.db2.gz AUARQYUYJQZBIQ-AGIUHOORSA-N 2 2 275.356 0.006 20 0 CCADLP C[N@H+]1CCc2ncnc(N[C@H]3C[NH2+][C@@H]4CCO[C@@H]43)c2C1 ZINC001163336059 802536530 /nfs/dbraw/zinc/53/65/30/802536530.db2.gz AUARQYUYJQZBIQ-AGIUHOORSA-N 2 2 275.356 0.006 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCC[NH2+]CC1CCOCC1 ZINC001163594037 802575025 /nfs/dbraw/zinc/57/50/25/802575025.db2.gz RZILIRCFHBRZMB-UHFFFAOYSA-N 2 2 294.399 0.796 20 0 CCADLP C[NH2+]C1CN(c2cc(N3CCSCC3)[nH+]cn2)C1 ZINC001163704668 802595960 /nfs/dbraw/zinc/59/59/60/802595960.db2.gz DECHZTYSFDJMHZ-UHFFFAOYSA-N 2 2 265.386 0.438 20 0 CCADLP Cc1ccc(N(CC[NH3+])CCO)c(C[NH+]2CCOCC2)c1 ZINC001163835906 802621739 /nfs/dbraw/zinc/62/17/39/802621739.db2.gz ICJKYLHZZUVWKZ-UHFFFAOYSA-N 2 2 293.411 0.585 20 0 CCADLP CC(C)COc1cc(N(CC[NH3+])CCO)cc[nH+]1 ZINC001163836160 802622697 /nfs/dbraw/zinc/62/26/97/802622697.db2.gz OVVSFYHUFTYXGF-UHFFFAOYSA-N 2 2 253.346 0.874 20 0 CCADLP Cc1[nH+]ccn1CCNc1nc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001163917078 802631924 /nfs/dbraw/zinc/63/19/24/802631924.db2.gz SVSHCFLKVGJIRE-UHFFFAOYSA-N 3 2 287.371 0.503 20 0 CCADLP C[N@H+](CCF)CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001265003873 809691104 /nfs/dbraw/zinc/69/11/04/809691104.db2.gz CMPQBVHDFPRWNI-LBPRGKRZSA-N 2 2 282.363 0.853 20 0 CCADLP C[N@@H+](CCF)CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001265003873 809691108 /nfs/dbraw/zinc/69/11/08/809691108.db2.gz CMPQBVHDFPRWNI-LBPRGKRZSA-N 2 2 282.363 0.853 20 0 CCADLP Cc1n[nH]cc1C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000724783337 809991725 /nfs/dbraw/zinc/99/17/25/809991725.db2.gz ZWPVIDHHWCCZPE-UHFFFAOYSA-N 2 2 251.378 0.397 20 0 CCADLP C[C@@]1(O)CCN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)C[C@@H]1F ZINC001164289851 802708155 /nfs/dbraw/zinc/70/81/55/802708155.db2.gz XAVLUYNCIWMCQY-DZGCQCFKSA-N 2 2 294.374 0.790 20 0 CCADLP C[NH+](C)C1(C)CN(c2cc[nH+]c(N3CCOCC3)n2)C1 ZINC001165121569 802785171 /nfs/dbraw/zinc/78/51/71/802785171.db2.gz WCAHZUIXWPRSBC-UHFFFAOYSA-N 2 2 277.372 0.454 20 0 CCADLP CN(CC[NH+]1CCCC1)c1cc[nH+]c(N2CCOCC2)n1 ZINC001165140581 802786848 /nfs/dbraw/zinc/78/68/48/802786848.db2.gz PTNJQWSTKNPGPR-UHFFFAOYSA-N 2 2 291.399 0.845 20 0 CCADLP [NH3+]CC1(F)CCN(c2ccc(Cn3cncn3)c[nH+]2)CC1 ZINC001165263544 802807594 /nfs/dbraw/zinc/80/75/94/802807594.db2.gz BIRNDHFVNMLHSS-UHFFFAOYSA-N 2 2 290.346 0.989 20 0 CCADLP CSc1cc[nH+]c(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)c1 ZINC001165284206 802813687 /nfs/dbraw/zinc/81/36/87/802813687.db2.gz PPIAPRSBTHVSBJ-MFKMUULPSA-N 2 2 265.382 0.822 20 0 CCADLP COc1ncc(F)c(-n2c(C)[nH+]c3c2CC[NH2+]CC3)n1 ZINC001165353287 802825783 /nfs/dbraw/zinc/82/57/83/802825783.db2.gz NZHARLDBLZXFKE-UHFFFAOYSA-N 2 2 277.303 0.807 20 0 CCADLP COC(=O)c1cc(-n2c(C)[nH+]c3c2CC[NH2+]CC3)ncn1 ZINC001165352604 802826222 /nfs/dbraw/zinc/82/62/22/802826222.db2.gz DMIOURRPFKDMAL-UHFFFAOYSA-N 2 2 287.323 0.446 20 0 CCADLP CO[C@H](C)C[NH2+]C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001203493904 803030997 /nfs/dbraw/zinc/03/09/97/803030997.db2.gz FUVLAQHQEPZEPL-LLVKDONJSA-N 2 2 294.399 0.876 20 0 CCADLP C[C@H](F)CC[N@@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001269354917 813336576 /nfs/dbraw/zinc/33/65/76/813336576.db2.gz BVNKVFNKYRVZLD-NWDGAFQWSA-N 2 2 268.336 0.822 20 0 CCADLP C[C@H](F)CC[N@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001269354917 813336582 /nfs/dbraw/zinc/33/65/82/813336582.db2.gz BVNKVFNKYRVZLD-NWDGAFQWSA-N 2 2 268.336 0.822 20 0 CCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(F)c1 ZINC001206464098 803246073 /nfs/dbraw/zinc/24/60/73/803246073.db2.gz JYJZCJJMAYICCB-GXFFZTMASA-N 2 2 254.305 0.586 20 0 CCADLP COc1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(F)c1 ZINC001206464098 803246078 /nfs/dbraw/zinc/24/60/78/803246078.db2.gz JYJZCJJMAYICCB-GXFFZTMASA-N 2 2 254.305 0.586 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@H]1O ZINC001206468523 803248427 /nfs/dbraw/zinc/24/84/27/803248427.db2.gz JORUEGZEOAAMKZ-DZGCQCFKSA-N 2 2 272.352 0.624 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)C[C@H]1O ZINC001206468523 803248433 /nfs/dbraw/zinc/24/84/33/803248433.db2.gz JORUEGZEOAAMKZ-DZGCQCFKSA-N 2 2 272.352 0.624 20 0 CCADLP CC(=O)OCc1ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)o1 ZINC001206524991 803260291 /nfs/dbraw/zinc/26/02/91/803260291.db2.gz FMFYVLMONLGADQ-GWCFXTLKSA-N 2 2 268.313 0.094 20 0 CCADLP CC(=O)OCc1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)o1 ZINC001206524991 803260296 /nfs/dbraw/zinc/26/02/96/803260296.db2.gz FMFYVLMONLGADQ-GWCFXTLKSA-N 2 2 268.313 0.094 20 0 CCADLP COc1cncc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1C ZINC001206530997 803261850 /nfs/dbraw/zinc/26/18/50/803261850.db2.gz ZJAZHJQLASFDQY-JQWIXIFHSA-N 2 2 251.330 0.150 20 0 CCADLP COc1cncc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1C ZINC001206530997 803261855 /nfs/dbraw/zinc/26/18/55/803261855.db2.gz ZJAZHJQLASFDQY-JQWIXIFHSA-N 2 2 251.330 0.150 20 0 CCADLP CCOc1cc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)ccn1 ZINC001206540524 803264008 /nfs/dbraw/zinc/26/40/08/803264008.db2.gz BWYUVUHVAGFSDZ-RYUDHWBXSA-N 2 2 251.330 0.232 20 0 CCADLP CCOc1cc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)ccn1 ZINC001206540524 803264012 /nfs/dbraw/zinc/26/40/12/803264012.db2.gz BWYUVUHVAGFSDZ-RYUDHWBXSA-N 2 2 251.330 0.232 20 0 CCADLP C[C@@]1(C[NH3+])CCCC[N@H+](CC2=CS[C@H](N)N2)C1 ZINC001206541976 803264532 /nfs/dbraw/zinc/26/45/32/803264532.db2.gz ONNACNHYSPOUGQ-NEPJUHHUSA-N 2 2 256.419 0.857 20 0 CCADLP C[C@@]1(C[NH3+])CCCC[N@@H+](CC2=CS[C@H](N)N2)C1 ZINC001206541976 803264538 /nfs/dbraw/zinc/26/45/38/803264538.db2.gz ONNACNHYSPOUGQ-NEPJUHHUSA-N 2 2 256.419 0.857 20 0 CCADLP COCCOCN1CC2(C1)C[NH+](C[C@H]1CCC[N@H+](C)C1)C2 ZINC001276496370 803290296 /nfs/dbraw/zinc/29/02/96/803290296.db2.gz AJAZEYBJDVUHIN-HNNXBMFYSA-N 2 2 297.443 0.566 20 0 CCADLP COCCOCN1CC2(C1)C[NH+](C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001276496370 803290302 /nfs/dbraw/zinc/29/03/02/803290302.db2.gz AJAZEYBJDVUHIN-HNNXBMFYSA-N 2 2 297.443 0.566 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](CC(C)(C)C[NH+](C)C)CCCO1 ZINC001207289026 803377825 /nfs/dbraw/zinc/37/78/25/803377825.db2.gz YUDCAPCOXYNWSW-LBPRGKRZSA-N 2 2 272.389 0.838 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](CC(C)(C)C[NH+](C)C)CCCO1 ZINC001207289026 803377830 /nfs/dbraw/zinc/37/78/30/803377830.db2.gz YUDCAPCOXYNWSW-LBPRGKRZSA-N 2 2 272.389 0.838 20 0 CCADLP COCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001207438120 803399341 /nfs/dbraw/zinc/39/93/41/803399341.db2.gz JGEGNIXXARTVBX-DGCLKSJQSA-N 2 2 280.372 0.425 20 0 CCADLP COCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001207438120 803399346 /nfs/dbraw/zinc/39/93/46/803399346.db2.gz JGEGNIXXARTVBX-DGCLKSJQSA-N 2 2 280.372 0.425 20 0 CCADLP COCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001207438120 803399352 /nfs/dbraw/zinc/39/93/52/803399352.db2.gz JGEGNIXXARTVBX-DGCLKSJQSA-N 2 2 280.372 0.425 20 0 CCADLP COCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001207438120 803399357 /nfs/dbraw/zinc/39/93/57/803399357.db2.gz JGEGNIXXARTVBX-DGCLKSJQSA-N 2 2 280.372 0.425 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001208299222 803503345 /nfs/dbraw/zinc/50/33/45/803503345.db2.gz LXGOECFWJGWJBW-GXTWGEPZSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001208299222 803503351 /nfs/dbraw/zinc/50/33/51/803503351.db2.gz LXGOECFWJGWJBW-GXTWGEPZSA-N 2 2 294.399 0.958 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001208848700 803549544 /nfs/dbraw/zinc/54/95/44/803549544.db2.gz JYSFTRAHRSJTTJ-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP COCC[N@@H+]1CCC[C@@]2(C1)COCC[NH+](CCOC)C2 ZINC001209210101 803580964 /nfs/dbraw/zinc/58/09/64/803580964.db2.gz AIRQWPHIAGXBMW-HNNXBMFYSA-N 2 2 286.416 0.694 20 0 CCADLP COCC[N@H+]1CCC[C@@]2(C1)COCC[NH+](CCOC)C2 ZINC001209210101 803580969 /nfs/dbraw/zinc/58/09/69/803580969.db2.gz AIRQWPHIAGXBMW-HNNXBMFYSA-N 2 2 286.416 0.694 20 0 CCADLP COCC[NH+]1CCC[C@@]2(C1)COCC[N@H+](CCOC)C2 ZINC001209210101 803580974 /nfs/dbraw/zinc/58/09/74/803580974.db2.gz AIRQWPHIAGXBMW-HNNXBMFYSA-N 2 2 286.416 0.694 20 0 CCADLP COCC[NH+]1CCC[C@@]2(C1)COCC[N@@H+](CCOC)C2 ZINC001209210101 803580977 /nfs/dbraw/zinc/58/09/77/803580977.db2.gz AIRQWPHIAGXBMW-HNNXBMFYSA-N 2 2 286.416 0.694 20 0 CCADLP CCN(CC[NH+](CC)CC)CC[NH+]1CCOCC1 ZINC001209292223 803588639 /nfs/dbraw/zinc/58/86/39/803588639.db2.gz NAJBZCAWFBVSID-UHFFFAOYSA-N 2 2 257.422 0.982 20 0 CCADLP Nc1cc[nH+]cc1C[NH+]1CCC(N2CCOCC2=O)CC1 ZINC001209732968 803626367 /nfs/dbraw/zinc/62/63/67/803626367.db2.gz OLXSNBJRBZEZSK-UHFFFAOYSA-N 2 2 290.367 0.317 20 0 CCADLP COCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001210282934 803646151 /nfs/dbraw/zinc/64/61/51/803646151.db2.gz FMURBARFYXIGBR-TZMCWYRMSA-N 2 2 294.399 0.436 20 0 CCADLP COCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001210282934 803646154 /nfs/dbraw/zinc/64/61/54/803646154.db2.gz FMURBARFYXIGBR-TZMCWYRMSA-N 2 2 294.399 0.436 20 0 CCADLP Cc1ncc(C[N@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)[nH]1 ZINC001276684329 803650753 /nfs/dbraw/zinc/65/07/53/803650753.db2.gz CJDRRWPHNLCBMZ-GJZGRUSLSA-N 2 2 277.416 0.928 20 0 CCADLP Cc1ncc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)[nH]1 ZINC001276684329 803650754 /nfs/dbraw/zinc/65/07/54/803650754.db2.gz CJDRRWPHNLCBMZ-GJZGRUSLSA-N 2 2 277.416 0.928 20 0 CCADLP Cc1nc(C[N@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c[nH]1 ZINC001276684329 803650756 /nfs/dbraw/zinc/65/07/56/803650756.db2.gz CJDRRWPHNLCBMZ-GJZGRUSLSA-N 2 2 277.416 0.928 20 0 CCADLP Cc1nc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c[nH]1 ZINC001276684329 803650758 /nfs/dbraw/zinc/65/07/58/803650758.db2.gz CJDRRWPHNLCBMZ-GJZGRUSLSA-N 2 2 277.416 0.928 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001215268963 803787603 /nfs/dbraw/zinc/78/76/03/803787603.db2.gz FOPUQBDXLSQFNR-MGPQQGTHSA-N 2 2 294.399 0.745 20 0 CCADLP COCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001216631265 803849005 /nfs/dbraw/zinc/84/90/05/803849005.db2.gz ZPPDETBLCYYDMA-TZMCWYRMSA-N 2 2 294.399 0.436 20 0 CCADLP C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001217005708 803863610 /nfs/dbraw/zinc/86/36/10/803863610.db2.gz PGWNOHFBRITQKB-HZSPNIEDSA-N 2 2 294.399 0.481 20 0 CCADLP CN1CCN(C)[C@H](C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000405307250 803873500 /nfs/dbraw/zinc/87/35/00/803873500.db2.gz MVVTUXYRZUDNAH-AGIUHOORSA-N 2 2 252.406 0.092 20 0 CCADLP COc1ccc(Cc2nnc(C[C@@H]([NH3+])C[NH3+])o2)cc1 ZINC001217726727 803906513 /nfs/dbraw/zinc/90/65/13/803906513.db2.gz LBTZZDALAITCIY-SNVBAGLBSA-N 2 2 262.313 0.498 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)Nc2cccnn2)cc1 ZINC001218509910 803975976 /nfs/dbraw/zinc/97/59/76/803975976.db2.gz PYJXBPKQNYUNNB-LLVKDONJSA-N 2 2 257.297 0.687 20 0 CCADLP [NH3+]C1(C(=O)Nc2nnc(-c3ccco3)o2)CC[NH2+]CC1 ZINC001218525941 803986332 /nfs/dbraw/zinc/98/63/32/803986332.db2.gz KUJPSQXWZUYALX-UHFFFAOYSA-N 2 2 277.284 0.349 20 0 CCADLP COc1nc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc2cccnc21 ZINC001218526971 803987572 /nfs/dbraw/zinc/98/75/72/803987572.db2.gz ZHQNYTFUEMGKIB-ZJUUUORDSA-N 2 2 287.323 0.266 20 0 CCADLP Cc1cnc(Cl)c(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c1 ZINC001218545093 803998491 /nfs/dbraw/zinc/99/84/91/803998491.db2.gz CDFJSHVNIQFESD-YUMQZZPRSA-N 2 2 254.721 0.529 20 0 CCADLP CCOc1ncc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)cc1F ZINC001218600415 804030169 /nfs/dbraw/zinc/03/01/69/804030169.db2.gz LPQVGNCRECOAFR-LLVKDONJSA-N 2 2 293.302 0.851 20 0 CCADLP O=C(Nc1cc[nH+]c2c1CCC2)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001218622291 804038559 /nfs/dbraw/zinc/03/85/59/804038559.db2.gz ZDHNZFFTBJXZFY-NZVBXONLSA-N 2 2 287.363 0.698 20 0 CCADLP Cc1ncnc(C)c1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218637818 804053250 /nfs/dbraw/zinc/05/32/50/804053250.db2.gz HNHVICGUOLIDLX-UHFFFAOYSA-N 2 2 263.345 0.374 20 0 CCADLP CCOC(=O)c1c(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)ccn1CC ZINC001218717905 804093473 /nfs/dbraw/zinc/09/34/73/804093473.db2.gz JKKDHPGUXRRUQV-KOLCDFICSA-N 2 2 294.355 0.312 20 0 CCADLP CCN(C)c1ncc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)cn1 ZINC001218741692 804103294 /nfs/dbraw/zinc/10/32/94/804103294.db2.gz ZDMDHDHDYMGNQW-NSHDSACASA-N 2 2 289.343 0.164 20 0 CCADLP CC(C)(C)c1cnn2cc(NC(=O)[C@@H]([NH3+])CC[NH3+])cnc12 ZINC001218748759 804107515 /nfs/dbraw/zinc/10/75/15/804107515.db2.gz VXSHKEALVINISA-NSHDSACASA-N 2 2 290.371 0.641 20 0 CCADLP COc1cc(OC)c(NC(=O)C[NH2+]C2CC[NH2+]CC2)cn1 ZINC001218759689 804112404 /nfs/dbraw/zinc/11/24/04/804112404.db2.gz OINLQHVKJAHMSW-UHFFFAOYSA-N 2 2 294.355 0.379 20 0 CCADLP Nc1nc(Cl)ccc1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218766308 804116490 /nfs/dbraw/zinc/11/64/90/804116490.db2.gz HJCRRELSDLXSIC-QHMRUWFYSA-N 2 2 281.747 0.478 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2nnccc2C(F)(F)F)C1 ZINC001218800634 804126121 /nfs/dbraw/zinc/12/61/21/804126121.db2.gz LRGQCIMHRJPGPC-VDTYLAMSSA-N 2 2 275.234 0.123 20 0 CCADLP [NH3+]CCNCC(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001218847863 804139298 /nfs/dbraw/zinc/13/92/98/804139298.db2.gz LSECUIDRGUXYSZ-UHFFFAOYSA-N 2 2 273.340 0.418 20 0 CCADLP Cc1cc2c(cccc2NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])nn1 ZINC001218859435 804140514 /nfs/dbraw/zinc/14/05/14/804140514.db2.gz MZLAMPJHLOSSFB-QWRGUYRKSA-N 2 2 271.324 0.423 20 0 CCADLP COc1ccc2c(c1NC(=O)[C@@H]([NH3+])CC[NH3+])C(=O)CC2 ZINC001218993701 804179024 /nfs/dbraw/zinc/17/90/24/804179024.db2.gz PNZNMKRJELLEDI-VIFPVBQESA-N 2 2 277.324 0.439 20 0 CCADLP CC(=O)Oc1ccc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc1 ZINC001219101478 804198383 /nfs/dbraw/zinc/19/83/83/804198383.db2.gz IQDUBFGZTLMYCK-SKDRFNHKSA-N 2 2 263.297 0.240 20 0 CCADLP [NH3+]C1(C(=O)Nc2ccc3oc(=O)[nH]c3c2)CC[NH2+]CC1 ZINC001219152072 804218999 /nfs/dbraw/zinc/21/89/99/804218999.db2.gz MDBLWRBHFOOTEB-UHFFFAOYSA-N 2 2 276.296 0.553 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccc(C[NH3+])cc1 ZINC001219343829 804279018 /nfs/dbraw/zinc/27/90/18/804279018.db2.gz WNCOJAFCJKYOOT-ZDUSSCGKSA-N 3 2 273.340 0.387 20 0 CCADLP CN1Cc2cccc(NC(=O)[C@H]([NH3+])Cc3c[nH+]c[nH]3)c2C1=O ZINC001219362212 804286073 /nfs/dbraw/zinc/28/60/73/804286073.db2.gz FTIQLLQIPXQKME-LLVKDONJSA-N 2 2 299.334 0.504 20 0 CCADLP COc1cc(C)c(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc1C ZINC001219393570 804297942 /nfs/dbraw/zinc/29/79/42/804297942.db2.gz OOVPEZHRZRRUPP-QWRGUYRKSA-N 2 2 263.341 0.797 20 0 CCADLP Cc1ccnc(CNC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)n1 ZINC001219600380 804368227 /nfs/dbraw/zinc/36/82/27/804368227.db2.gz ROIVTRXWMXXCCH-ZDUSSCGKSA-N 2 2 285.351 0.674 20 0 CCADLP Cc1c[nH]c(CCNC(=O)[C@@H]([NH3+])COC(C)(C)C)[nH+]1 ZINC001219951993 804456600 /nfs/dbraw/zinc/45/66/00/804456600.db2.gz KPEOLDHCRLCPLF-JTQLQIEISA-N 2 2 268.361 0.519 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC001219978459 804463753 /nfs/dbraw/zinc/46/37/53/804463753.db2.gz MYTASBXLCVTUQZ-OCCSQVGLSA-N 3 2 293.415 0.138 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC001219978459 804463757 /nfs/dbraw/zinc/46/37/57/804463757.db2.gz MYTASBXLCVTUQZ-OCCSQVGLSA-N 3 2 293.415 0.138 20 0 CCADLP C[NH+]1CC(NC(=O)[C@H]([NH3+])C23CC4CC(CC(C4)C2)C3)C1 ZINC001220012827 804472252 /nfs/dbraw/zinc/47/22/52/804472252.db2.gz CUBYIAVPXGRMEE-YGOSKHQISA-N 2 2 277.412 0.960 20 0 CCADLP O=C(NCc1cccc2ncccc12)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220039605 804480485 /nfs/dbraw/zinc/48/04/85/804480485.db2.gz LMPDEJWPSAFOLY-DYVFJYSZSA-N 2 2 296.374 0.803 20 0 CCADLP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220062099 804490815 /nfs/dbraw/zinc/49/08/15/804490815.db2.gz MBQLLJFZDYQUIR-GXTWGEPZSA-N 3 2 293.415 0.660 20 0 CCADLP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220062099 804490818 /nfs/dbraw/zinc/49/08/18/804490818.db2.gz MBQLLJFZDYQUIR-GXTWGEPZSA-N 3 2 293.415 0.660 20 0 CCADLP Cc1[nH+]c(N)ccc1CNC(=O)c1cnc(C[NH3+])s1 ZINC001220071484 804493712 /nfs/dbraw/zinc/49/37/12/804493712.db2.gz FZTULSMHANTQQX-UHFFFAOYSA-N 2 2 277.353 0.817 20 0 CCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001220189331 804532686 /nfs/dbraw/zinc/53/26/86/804532686.db2.gz PHDQQEKQBMVPKH-AEJSXWLSSA-N 2 2 279.306 0.295 20 0 CCADLP COC1CCC(NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC1 ZINC001220220840 804540572 /nfs/dbraw/zinc/54/05/72/804540572.db2.gz HKOCLVFOLMSTIY-HQXFNHHZSA-N 2 2 267.373 0.010 20 0 CCADLP COC1CCC(NC(=O)C2([NH3+])CC[NH2+]CC2)CC1 ZINC001220222984 804543044 /nfs/dbraw/zinc/54/30/44/804543044.db2.gz MHIUUDADVFEXSO-UHFFFAOYSA-N 2 2 255.362 0.141 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC001220275160 804558432 /nfs/dbraw/zinc/55/84/32/804558432.db2.gz UVEZQJKFKFKGML-LBPRGKRZSA-N 2 2 266.345 0.288 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC001220274973 804558892 /nfs/dbraw/zinc/55/88/92/804558892.db2.gz STWHWOSFVUPRKJ-WCQYABFASA-N 2 2 280.372 0.534 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001220469256 804610918 /nfs/dbraw/zinc/61/09/18/804610918.db2.gz PTIGRCCBIJTOJT-ZDEQEGDKSA-N 2 2 263.316 0.345 20 0 CCADLP O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220469368 804611564 /nfs/dbraw/zinc/61/15/64/804611564.db2.gz VGBDCSBYWJMKFL-UZMCECQYSA-N 2 2 289.354 0.749 20 0 CCADLP O=C(NCCc1ccc2[nH]ccc2c1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220591010 804632936 /nfs/dbraw/zinc/63/29/36/804632936.db2.gz SZGWLPHOEXSDMX-RHSMWYFYSA-N 2 2 298.390 0.778 20 0 CCADLP O=C(N[C@@H]1COCc2ccccc21)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220658185 804644399 /nfs/dbraw/zinc/64/43/99/804644399.db2.gz QLDPOLJVLAXSOT-SPWCGHHHSA-N 2 2 287.363 0.324 20 0 CCADLP CCOC(=O)[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)[C@@H](C)CC ZINC001220666510 804646085 /nfs/dbraw/zinc/64/60/85/804646085.db2.gz ZNPCWYXFASYHKV-YFCNSXCBSA-N 2 2 297.399 0.032 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@H](c2ccccc2)C2(O)CCC2)C1 ZINC001220727985 804656338 /nfs/dbraw/zinc/65/63/38/804656338.db2.gz VVOIXFDWSQTDBQ-HZSPNIEDSA-N 2 2 289.379 0.448 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@@H](c2ccccc2)C2(O)CCC2)C1 ZINC001220727986 804656662 /nfs/dbraw/zinc/65/66/62/804656662.db2.gz VVOIXFDWSQTDBQ-RDBSUJKOSA-N 2 2 289.379 0.448 20 0 CCADLP O=C(NCCc1cc(F)cc(F)c1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220732139 804657785 /nfs/dbraw/zinc/65/77/85/804657785.db2.gz WNQKTIMESQLYRR-LEWSCRJBSA-N 2 2 295.333 0.573 20 0 CCADLP CCc1ccc(CN(CC[NH3+])C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc1 ZINC001220905309 804698238 /nfs/dbraw/zinc/69/82/38/804698238.db2.gz SNQRGDKIDXKYDF-GJZGRUSLSA-N 3 2 290.411 0.083 20 0 CCADLP CC[C@@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C(F)(F)F ZINC001220945157 804704940 /nfs/dbraw/zinc/70/49/40/804704940.db2.gz SENZXNGHOUSLER-JGVFFNPUSA-N 2 2 264.251 0.737 20 0 CCADLP CC(C)CC1(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CCOCC1 ZINC001221000729 804715709 /nfs/dbraw/zinc/71/57/09/804715709.db2.gz DUQGQCCXBAGQRS-RYUDHWBXSA-N 2 2 269.389 0.245 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@H](c2cncc(F)c2)C2CC2)C1 ZINC001221048821 804723005 /nfs/dbraw/zinc/72/30/05/804723005.db2.gz FIGJDARZYMEMPC-AGIUHOORSA-N 2 2 278.331 0.477 20 0 CCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)NCC2(CC3CCC3)CC[NH2+]CC2)C1 ZINC001221130570 804733527 /nfs/dbraw/zinc/73/35/27/804733527.db2.gz YANLHPCEXOWIES-KBPBESRZSA-N 3 2 294.443 0.352 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCC1(CC2CCC2)CCOCC1 ZINC001221182067 804742846 /nfs/dbraw/zinc/74/28/46/804742846.db2.gz XTMDGBVXNJVKTE-KBPBESRZSA-N 2 2 295.427 0.636 20 0 CCADLP C[C@H]1[C@H]2C[C@@H](C[C@H]1NC(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)C2(C)C ZINC001221199278 804746074 /nfs/dbraw/zinc/74/60/74/804746074.db2.gz JUVNEVGAYPONMJ-NFXCPBFJSA-N 2 2 265.401 0.863 20 0 CCADLP C[C@@]1([NH3+])C[C@H](NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)C1 ZINC001221241496 804754116 /nfs/dbraw/zinc/75/41/16/804754116.db2.gz WJDFXMZORGPYCN-SGMGOOAPSA-N 3 2 262.357 0.255 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N[C@H]2CCC[C@H]2CO)cc1 ZINC001221309089 804772339 /nfs/dbraw/zinc/77/23/39/804772339.db2.gz GZIDOVQRJOCKAK-MJBXVCDLSA-N 2 2 277.368 0.536 20 0 CCADLP CC[C@@H](CO)NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001221381113 804796091 /nfs/dbraw/zinc/79/60/91/804796091.db2.gz SXQUCFFWAXISMR-RYUDHWBXSA-N 2 2 251.330 0.146 20 0 CCADLP C[C@@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)c1ccno1 ZINC001221396689 804801869 /nfs/dbraw/zinc/80/18/69/804801869.db2.gz DPLAMRBVNPRUDC-SCZZXKLOSA-N 2 2 263.301 0.155 20 0 CCADLP COCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001221835606 804850301 /nfs/dbraw/zinc/85/03/01/804850301.db2.gz SADMBZBULHJTHH-TZMCWYRMSA-N 2 2 292.383 0.521 20 0 CCADLP COCCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001221835606 804850306 /nfs/dbraw/zinc/85/03/06/804850306.db2.gz SADMBZBULHJTHH-TZMCWYRMSA-N 2 2 292.383 0.521 20 0 CCADLP CCOC(=O)c1c(C[NH+]2CCC(F)(C[NH3+])CC2)cnn1C ZINC001222533075 804911046 /nfs/dbraw/zinc/91/10/46/804911046.db2.gz RTNINKUKMDGMQU-UHFFFAOYSA-N 2 2 298.362 0.860 20 0 CCADLP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CCF)C[C@H]21)[NH+](C)C ZINC001075940438 815066303 /nfs/dbraw/zinc/06/63/03/815066303.db2.gz PSCADZZVBHQBAC-YNEHKIRRSA-N 2 2 271.380 0.829 20 0 CCADLP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CCF)C[C@H]21)[NH+](C)C ZINC001075940438 815066308 /nfs/dbraw/zinc/06/63/08/815066308.db2.gz PSCADZZVBHQBAC-YNEHKIRRSA-N 2 2 271.380 0.829 20 0 CCADLP O=C(CC[NH+]1CCOCC1)NC1CC[NH+](CCF)CC1 ZINC001229625302 805545833 /nfs/dbraw/zinc/54/58/33/805545833.db2.gz DWTXJIUXHOGSTH-UHFFFAOYSA-N 2 2 287.379 0.259 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCO ZINC001229694047 805548060 /nfs/dbraw/zinc/54/80/60/805548060.db2.gz ZHHMWVGGUSJZAE-ZIAGYGMSSA-N 2 2 294.399 0.362 20 0 CCADLP [NH3+]Cc1ncc(C(=O)N2CC[NH+]3CCC2CC3)s1 ZINC000722803893 807055706 /nfs/dbraw/zinc/05/57/06/807055706.db2.gz MJOZMHCRNZLBPZ-UHFFFAOYSA-N 2 2 266.370 0.522 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H](O)COCc1ccco1 ZINC001245986596 807107904 /nfs/dbraw/zinc/10/79/04/807107904.db2.gz YMOGSYXQAJVFIL-MBNYWOFBSA-N 2 2 268.357 0.745 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246025863 807123560 /nfs/dbraw/zinc/12/35/60/807123560.db2.gz UYQJGDPBQDGAIP-UWVGGRQHSA-N 2 2 280.315 0.216 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246025863 807123561 /nfs/dbraw/zinc/12/35/61/807123561.db2.gz UYQJGDPBQDGAIP-UWVGGRQHSA-N 2 2 280.315 0.216 20 0 CCADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](C[C@H](O)COCc1ccccc1)C2 ZINC001246032976 807129019 /nfs/dbraw/zinc/12/90/19/807129019.db2.gz NKQWWUQOSFHWKW-HRCADAONSA-N 2 2 276.380 0.987 20 0 CCADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](C[C@H](O)COCc1ccccc1)C2 ZINC001246032976 807129027 /nfs/dbraw/zinc/12/90/27/807129027.db2.gz NKQWWUQOSFHWKW-HRCADAONSA-N 2 2 276.380 0.987 20 0 CCADLP C[C@H]([NH3+])C[N@H+](C)C[C@@](C)(O)C(=O)OCc1ccccc1 ZINC001246058831 807136170 /nfs/dbraw/zinc/13/61/70/807136170.db2.gz LXQRRKRVJUANGW-SWLSCSKDSA-N 2 2 280.368 0.760 20 0 CCADLP O=C1CC[C@@H]2C[C@@H]([NH2+][C@H]3CC[NH2+]C[C@@H]3F)CCN12 ZINC001246112647 807157404 /nfs/dbraw/zinc/15/74/04/807157404.db2.gz QYHISPHLPDTCCR-USZNOCQGSA-N 2 2 255.337 0.429 20 0 CCADLP CC(C)(C)[C@H]1C[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@@H]2COC3)CC[NH2+]1 ZINC001246149009 807167845 /nfs/dbraw/zinc/16/78/45/807167845.db2.gz PLNCTFVQAFFYKY-KHMAMNHCSA-N 3 2 281.444 0.977 20 0 CCADLP CCC[NH+](CCC)CC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246162977 807172069 /nfs/dbraw/zinc/17/20/69/807172069.db2.gz UCXIDVASAWVZDT-AWEZNQCLSA-N 3 2 268.449 0.792 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])C[NH2+]1 ZINC001246175301 807177120 /nfs/dbraw/zinc/17/71/20/807177120.db2.gz LAEIGQMLSPSIGQ-LPWJVIDDSA-N 2 2 283.416 0.918 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H](NC[C@H]2CCCC[NH2+]2)C[NH2+]1 ZINC001246181407 807179299 /nfs/dbraw/zinc/17/92/99/807179299.db2.gz UGJRHONWJVKKIS-MBNYWOFBSA-N 2 2 269.389 0.402 20 0 CCADLP OC[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246213423 807187985 /nfs/dbraw/zinc/18/79/85/807187985.db2.gz QKZGCUILLRYTAE-QWHCGFSZSA-N 2 2 250.342 0.637 20 0 CCADLP O=C1CC[NH2+]C[C@@H]1N[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001246296551 807211872 /nfs/dbraw/zinc/21/18/72/807211872.db2.gz XOHZYLYLNADIRL-JSGCOSHPSA-N 2 2 265.401 0.914 20 0 CCADLP O=C1CC[NH2+]C[C@@H]1N[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001246296551 807211879 /nfs/dbraw/zinc/21/18/79/807211879.db2.gz XOHZYLYLNADIRL-JSGCOSHPSA-N 2 2 265.401 0.914 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@@H]1[NH2+]C1CCN(c2cccc(F)c2)CC1 ZINC001246299304 807212117 /nfs/dbraw/zinc/21/21/17/807212117.db2.gz KUZBVGAREWMXSC-LRDDRELGSA-N 2 2 293.386 0.964 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@@H](NC[C@@H]([NH3+])C(C)C)C[NH2+]1 ZINC001246331129 807223686 /nfs/dbraw/zinc/22/36/86/807223686.db2.gz IGSVCULYQZBUJV-NQBHXWOUSA-N 2 2 257.378 0.243 20 0 CCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)N[C@H]1CC[NH2+][C@H](C)C1 ZINC001246332797 807225307 /nfs/dbraw/zinc/22/53/07/807225307.db2.gz JBNORFHMLBMKNX-MDZLAQPJSA-N 2 2 280.372 0.234 20 0 CCADLP O=C(c1cccnc1)N1CC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC001246362599 807234593 /nfs/dbraw/zinc/23/45/93/807234593.db2.gz BCOJRSBZXDRQIR-ZIAGYGMSSA-N 2 2 274.368 0.638 20 0 CCADLP C[C@@H]1CC[C@H](N[C@H]2CC[N@@H+](C3CC[NH2+]CC3)C2)C[NH2+]1 ZINC001246372832 807237888 /nfs/dbraw/zinc/23/78/88/807237888.db2.gz NIGPFTRADOJKGB-RDBSUJKOSA-N 3 2 266.433 0.543 20 0 CCADLP C[C@@H]1CC[C@H](N[C@H]2CC[N@H+](C3CC[NH2+]CC3)C2)C[NH2+]1 ZINC001246372832 807237890 /nfs/dbraw/zinc/23/78/90/807237890.db2.gz NIGPFTRADOJKGB-RDBSUJKOSA-N 3 2 266.433 0.543 20 0 CCADLP COC(=O)[C@H](CCC[NH3+])[NH2+][C@H](C)CCC(=O)OC(C)C ZINC001246416826 807248246 /nfs/dbraw/zinc/24/82/46/807248246.db2.gz MOSGAMNCIOFROZ-NEPJUHHUSA-N 2 2 288.388 0.977 20 0 CCADLP C[C@@H]1CC[C@H](NC[C@H]([NH3+])C(=O)OC(C)(C)C)C[NH2+]1 ZINC001246479364 807260061 /nfs/dbraw/zinc/26/00/61/807260061.db2.gz BGYNTWZKJYSEAC-VWYCJHECSA-N 2 2 257.378 0.386 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@]1(C)CC[NH+](CCF)C1 ZINC001278451377 807265200 /nfs/dbraw/zinc/26/52/00/807265200.db2.gz VWXJVFWTBKBNMS-CYBMUJFWSA-N 2 2 259.369 0.877 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@]1(C)CC[NH+](CCF)C1 ZINC001278451377 807265206 /nfs/dbraw/zinc/26/52/06/807265206.db2.gz VWXJVFWTBKBNMS-CYBMUJFWSA-N 2 2 259.369 0.877 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@]1(C)CC[N@H+](CCF)C1 ZINC001278451377 807265209 /nfs/dbraw/zinc/26/52/09/807265209.db2.gz VWXJVFWTBKBNMS-CYBMUJFWSA-N 2 2 259.369 0.877 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@]1(C)CC[N@@H+](CCF)C1 ZINC001278451377 807265215 /nfs/dbraw/zinc/26/52/15/807265215.db2.gz VWXJVFWTBKBNMS-CYBMUJFWSA-N 2 2 259.369 0.877 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@@H](N[C@H](C[NH3+])CC(C)C)C[NH2+]1 ZINC001246504265 807267946 /nfs/dbraw/zinc/26/79/46/807267946.db2.gz PUCYXDLNYKEVML-OUCADQQQSA-N 2 2 271.405 0.633 20 0 CCADLP FC(F)(F)[C@H]1C[C@@H]([N@@H+]2CCC[NH2+]CC2)CCN1 ZINC001246521964 807271674 /nfs/dbraw/zinc/27/16/74/807271674.db2.gz DHIRUNPAYKOSNG-VHSXEESVSA-N 2 2 251.296 0.965 20 0 CCADLP FC(F)(F)[C@H]1C[C@@H]([N@H+]2CCC[NH2+]CC2)CCN1 ZINC001246521964 807271678 /nfs/dbraw/zinc/27/16/78/807271678.db2.gz DHIRUNPAYKOSNG-VHSXEESVSA-N 2 2 251.296 0.965 20 0 CCADLP C[C@@H]1CC[C@H]([NH+]2CCC3(CNC(=O)C3)CC2)C[NH2+]1 ZINC001246524450 807274100 /nfs/dbraw/zinc/27/41/00/807274100.db2.gz QXIMQPHKHRCULF-NEPJUHHUSA-N 2 2 251.374 0.729 20 0 CCADLP COc1ccc([C@@H]2C[C@H]([N@@H+]3C[C@@H]([NH3+])[C@H](O)C3)CCO2)cc1 ZINC001246558340 807288097 /nfs/dbraw/zinc/28/80/97/807288097.db2.gz QEVSOIXHXQKPQO-MIGQKNRLSA-N 2 2 292.379 0.919 20 0 CCADLP COc1ccc([C@@H]2C[C@H]([N@H+]3C[C@@H]([NH3+])[C@H](O)C3)CCO2)cc1 ZINC001246558340 807288103 /nfs/dbraw/zinc/28/81/03/807288103.db2.gz QEVSOIXHXQKPQO-MIGQKNRLSA-N 2 2 292.379 0.919 20 0 CCADLP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)CC[NH2+]1 ZINC001246686350 807356458 /nfs/dbraw/zinc/35/64/58/807356458.db2.gz RSDZZKFOZOMLJP-UXXRCYHCSA-N 3 2 265.401 0.580 20 0 CCADLP C[C@@H]1C[C@@H]([N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)CC[NH2+]1 ZINC001246686350 807356466 /nfs/dbraw/zinc/35/64/66/807356466.db2.gz RSDZZKFOZOMLJP-UXXRCYHCSA-N 3 2 265.401 0.580 20 0 CCADLP C[C@H]1C[C@@H]([NH+]2CCN(c3ccncn3)CC2)CC[NH2+]1 ZINC001246865354 807413727 /nfs/dbraw/zinc/41/37/27/807413727.db2.gz SZIXKAHIISBIKF-STQMWFEESA-N 2 2 261.373 0.739 20 0 CCADLP CCOC(=O)C[NH+]1CCC(N(C)C[C@@H]2CCC[NH2+]2)CC1 ZINC001246888161 807421077 /nfs/dbraw/zinc/42/10/77/807421077.db2.gz GHNSCJCJRIOZJN-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP COc1cc(N2CC[NH+]([C@H]3CC[NH2+][C@H](C)C3)CC2)ncn1 ZINC001246920884 807429142 /nfs/dbraw/zinc/42/91/42/807429142.db2.gz TYAVBHRHLPQIDO-OLZOCXBDSA-N 2 2 291.399 0.748 20 0 CCADLP CC[C@@H]1C[C@H]([N@@H+]2C[C@H]([NH3+])[C@H](C(=O)OC)C2)CCO1 ZINC001246935014 807433016 /nfs/dbraw/zinc/43/30/16/807433016.db2.gz WYCIZTKNKYIYNP-KKOKHZNYSA-N 2 2 256.346 0.376 20 0 CCADLP CC[C@@H]1C[C@H]([N@H+]2C[C@H]([NH3+])[C@H](C(=O)OC)C2)CCO1 ZINC001246935014 807433022 /nfs/dbraw/zinc/43/30/22/807433022.db2.gz WYCIZTKNKYIYNP-KKOKHZNYSA-N 2 2 256.346 0.376 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCCC3(C2)OCCO3)C[C@H]1[NH3+] ZINC001246933257 807433689 /nfs/dbraw/zinc/43/36/89/807433689.db2.gz RRCFRWLUDUKDMP-IJLUTSLNSA-N 2 2 284.356 0.104 20 0 CCADLP COC(=O)[C@@H]1C[N@H+]([C@@H]2CCCC3(C2)OCCO3)C[C@H]1[NH3+] ZINC001246933257 807433694 /nfs/dbraw/zinc/43/36/94/807433694.db2.gz RRCFRWLUDUKDMP-IJLUTSLNSA-N 2 2 284.356 0.104 20 0 CCADLP CC[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CN[C@H](C(=O)OC(C)(C)C)C1 ZINC001246942711 807437774 /nfs/dbraw/zinc/43/77/74/807437774.db2.gz OHCLRDOGAUJUPS-RDBSUJKOSA-N 2 2 297.443 0.990 20 0 CCADLP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CN[C@H](C(=O)OC(C)(C)C)C1 ZINC001246942711 807437777 /nfs/dbraw/zinc/43/77/77/807437777.db2.gz OHCLRDOGAUJUPS-RDBSUJKOSA-N 2 2 297.443 0.990 20 0 CCADLP CC[N@@H+]1CCN([C@@H]2C[NH2+][C@H](C(=O)OC)C2)C(C)(C)C1 ZINC001246987949 807448325 /nfs/dbraw/zinc/44/83/25/807448325.db2.gz GZMTYGZOQXUFSB-RYUDHWBXSA-N 2 2 269.389 0.306 20 0 CCADLP CC[N@H+]1CCN([C@@H]2C[NH2+][C@H](C(=O)OC)C2)C(C)(C)C1 ZINC001246987949 807448327 /nfs/dbraw/zinc/44/83/27/807448327.db2.gz GZMTYGZOQXUFSB-RYUDHWBXSA-N 2 2 269.389 0.306 20 0 CCADLP CC[N@@H+]1CCN([C@H]2C[NH2+][C@H](C(=O)OC)C2)C(C)(C)C1 ZINC001246987948 807448679 /nfs/dbraw/zinc/44/86/79/807448679.db2.gz GZMTYGZOQXUFSB-NEPJUHHUSA-N 2 2 269.389 0.306 20 0 CCADLP CC[N@H+]1CCN([C@H]2C[NH2+][C@H](C(=O)OC)C2)C(C)(C)C1 ZINC001246987948 807448681 /nfs/dbraw/zinc/44/86/81/807448681.db2.gz GZMTYGZOQXUFSB-NEPJUHHUSA-N 2 2 269.389 0.306 20 0 CCADLP CCOC(=O)[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C)[NH2+]C2)CCC12C[NH2+]C2 ZINC001247003887 807453069 /nfs/dbraw/zinc/45/30/69/807453069.db2.gz BNLJPPZHGFNGTR-RDBSUJKOSA-N 3 2 295.427 0.602 20 0 CCADLP CCOC(=O)[C@@H]1C[N@H+]([C@H]2CC[C@@H](C)[NH2+]C2)CCC12C[NH2+]C2 ZINC001247003887 807453070 /nfs/dbraw/zinc/45/30/70/807453070.db2.gz BNLJPPZHGFNGTR-RDBSUJKOSA-N 3 2 295.427 0.602 20 0 CCADLP [NH3+]C[C@H]([NH3+])Cc1nc(-c2cc(F)cc(F)c2F)no1 ZINC001249130181 807544552 /nfs/dbraw/zinc/54/45/52/807544552.db2.gz WQMZNUAJUWUXCB-ZCFIWIBFSA-N 2 2 272.230 0.982 20 0 CCADLP C[NH+]1CCN(C2C[NH+](C[C@H](O)c3ccc(F)cc3)C2)CC1 ZINC001252848568 807977420 /nfs/dbraw/zinc/97/74/20/807977420.db2.gz PXWGSELZTXNPTH-INIZCTEOSA-N 2 2 293.386 0.791 20 0 CCADLP CC(=O)OCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252952309 807987951 /nfs/dbraw/zinc/98/79/51/807987951.db2.gz ZZMHGZXPYWAAGN-MRXNPFEDSA-N 2 2 292.379 0.776 20 0 CCADLP CC(=O)OCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252952309 807987958 /nfs/dbraw/zinc/98/79/58/807987958.db2.gz ZZMHGZXPYWAAGN-MRXNPFEDSA-N 2 2 292.379 0.776 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@@H](O)[C@@H](F)CC1 ZINC001253181526 808021555 /nfs/dbraw/zinc/02/15/55/808021555.db2.gz WHEIHGLPJHTRMM-RWMBFGLXSA-N 2 2 262.369 0.484 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@@H](O)[C@@H](F)CC1 ZINC001253181526 808021560 /nfs/dbraw/zinc/02/15/60/808021560.db2.gz WHEIHGLPJHTRMM-RWMBFGLXSA-N 2 2 262.369 0.484 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH+]1CCC(N2CCOC2=O)CC1 ZINC001253188467 808022506 /nfs/dbraw/zinc/02/25/06/808022506.db2.gz ZDYLDRWISCYWSN-AWEZNQCLSA-N 2 2 299.415 0.606 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]Cc1c(CO)cnc(C)c1O ZINC001253207080 808031414 /nfs/dbraw/zinc/03/14/14/808031414.db2.gz YJBJJAFSBFGTMR-CYBMUJFWSA-N 2 2 297.399 0.380 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC001253209414 808033025 /nfs/dbraw/zinc/03/30/25/808033025.db2.gz BXYFJMDQHQTBJD-BPUTZDHNSA-N 2 2 278.396 0.937 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CC(=O)NC1CCCCC1 ZINC001253404411 808058346 /nfs/dbraw/zinc/05/83/46/808058346.db2.gz WCFQKTWMCLRKCN-ZDUSSCGKSA-N 2 2 285.432 0.774 20 0 CCADLP Cc1ncc(CO)c(C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)c1O ZINC001253405349 808059810 /nfs/dbraw/zinc/05/98/10/808059810.db2.gz WVKCPTYRRZORFG-LBPRGKRZSA-N 2 2 297.399 0.427 20 0 CCADLP CN(C)C(=O)C1([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)CCC1 ZINC001253411241 808062366 /nfs/dbraw/zinc/06/23/66/808062366.db2.gz GCZNPONZJBLBJK-LLVKDONJSA-N 2 2 271.405 0.336 20 0 CCADLP CCCCC[C@H](O)CNC(=[NH2+])N1CC[NH+](C)CC1 ZINC001253554155 808080251 /nfs/dbraw/zinc/08/02/51/808080251.db2.gz OJPFZPQSJIOIEE-LBPRGKRZSA-N 2 2 256.394 0.699 20 0 CCADLP C[N@H+](C[C@H](O)C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001253665961 808102458 /nfs/dbraw/zinc/10/24/58/808102458.db2.gz IRXOVSGWDZHELO-LBPRGKRZSA-N 2 2 272.389 0.715 20 0 CCADLP C[N@@H+](C[C@H](O)C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001253665961 808102465 /nfs/dbraw/zinc/10/24/65/808102465.db2.gz IRXOVSGWDZHELO-LBPRGKRZSA-N 2 2 272.389 0.715 20 0 CCADLP C[NH+](C)Cc1cn(C[C@H]2C[C@]3(CO2)CCC[NH2+]C3)nn1 ZINC001254069895 808177059 /nfs/dbraw/zinc/17/70/59/808177059.db2.gz XQYPWCMOEBABEP-ZIAGYGMSSA-N 2 2 279.388 0.498 20 0 CCADLP C[NH+]1CC2(C1)CC[NH+]([C@H]1CCS(=O)(=O)C1)CC2 ZINC001254338339 808216757 /nfs/dbraw/zinc/21/67/57/808216757.db2.gz AEYYAQOVOTWBDA-NSHDSACASA-N 2 2 258.387 0.201 20 0 CCADLP CC(C)(C)OC(=O)N1CC2(C1)C[C@H]([NH2+][C@@H]1C[C@H]1[NH3+])CCO2 ZINC001254804680 808280068 /nfs/dbraw/zinc/28/00/68/808280068.db2.gz VIALWRYYAHVOFT-IJLUTSLNSA-N 2 2 297.399 0.844 20 0 CCADLP [NH3+]CCCOCCOCCC[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254839954 808285236 /nfs/dbraw/zinc/28/52/36/808285236.db2.gz YVQWEAPQUYTEJX-INIZCTEOSA-N 3 2 299.459 0.832 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])N[C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254840547 808285521 /nfs/dbraw/zinc/28/55/21/808285521.db2.gz IUXWGFKGUWWIDP-CYBMUJFWSA-N 3 2 265.405 0.242 20 0 CCADLP CN1CCOC[C@@H]1C[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254840253 808285960 /nfs/dbraw/zinc/28/59/60/808285960.db2.gz DYLQZQHYPULMSA-KBPBESRZSA-N 2 2 253.390 0.391 20 0 CCADLP CS(=O)(=O)N1CC[C@H]([NH2+][C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254845541 808287098 /nfs/dbraw/zinc/28/70/98/808287098.db2.gz OKUFUZJVUMIEHQ-QWHCGFSZSA-N 2 2 287.429 0.094 20 0 CCADLP O=C1NCC2(CC[NH+]([C@H]3CC4CC[NH+](CC4)C3)CC2)N1 ZINC001254869837 808292236 /nfs/dbraw/zinc/29/22/36/808292236.db2.gz YWHSZIWUCRDROI-ZDUSSCGKSA-N 2 2 278.400 0.618 20 0 CCADLP C[N@@H+]1CCC[C@@H](NC(=[NH2+])SCCSC(N)=[NH2+])C1 ZINC001255472661 808381337 /nfs/dbraw/zinc/38/13/37/808381337.db2.gz ZDVNKDBAYWWLFW-MRVPVSSYSA-N 3 2 275.447 0.965 20 0 CCADLP C[N@H+]1CCC[C@@H](NC(=[NH2+])SCCSC(N)=[NH2+])C1 ZINC001255472661 808381346 /nfs/dbraw/zinc/38/13/46/808381346.db2.gz ZDVNKDBAYWWLFW-MRVPVSSYSA-N 3 2 275.447 0.965 20 0 CCADLP COC(=O)[C@H]([NH3+])Cc1cn([C@@H]2CCC[N@H+](C)C2)cn1 ZINC001255480311 808385323 /nfs/dbraw/zinc/38/53/23/808385323.db2.gz USIUFZSZHIMXHT-VXGBXAGGSA-N 2 2 266.345 0.193 20 0 CCADLP COC(=O)[C@H]([NH3+])Cc1cn([C@@H]2CCC[N@@H+](C)C2)cn1 ZINC001255480311 808385326 /nfs/dbraw/zinc/38/53/26/808385326.db2.gz USIUFZSZHIMXHT-VXGBXAGGSA-N 2 2 266.345 0.193 20 0 CCADLP COCC(=O)NC1CC[NH+](C2CC[NH+](C3CC3)CC2)CC1 ZINC001256078111 808469920 /nfs/dbraw/zinc/46/99/20/808469920.db2.gz UVMNFJWDEFVGRG-UHFFFAOYSA-N 2 2 295.427 0.840 20 0 CCADLP CC(C)(C)OC(=O)N1CCC([N@H+](CC[NH3+])CCO)CC1 ZINC001256283092 808487568 /nfs/dbraw/zinc/48/75/68/808487568.db2.gz VKWXNZKOJHZTPV-UHFFFAOYSA-N 2 2 287.404 0.639 20 0 CCADLP CC(C)(C)OC(=O)N1CCC([N@@H+](CC[NH3+])CCO)CC1 ZINC001256283092 808487571 /nfs/dbraw/zinc/48/75/71/808487571.db2.gz VKWXNZKOJHZTPV-UHFFFAOYSA-N 2 2 287.404 0.639 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[NH2+][C@H](C)C[NH+](C)C ZINC001256320404 808492428 /nfs/dbraw/zinc/49/24/28/808492428.db2.gz NAVPZEJHSWNEGF-VXGBXAGGSA-N 2 2 257.378 0.164 20 0 CCADLP c1nc(C[NH2+]C2CCC([NH+]3CCOCC3)CC2)no1 ZINC001256677211 808546436 /nfs/dbraw/zinc/54/64/36/808546436.db2.gz MYQLUSCSFNNIPJ-UHFFFAOYSA-N 2 2 266.345 0.803 20 0 CCADLP C[NH+]1CC(C[NH2+]C2CCC([NH+]3CCOCC3)CC2)C1 ZINC001256685357 808550157 /nfs/dbraw/zinc/55/01/57/808550157.db2.gz CGRHLFYFOORDNA-UHFFFAOYSA-N 3 2 267.417 0.781 20 0 CCADLP COC(=O)[C@@H]1CC[N@@H+]1C1CCC([NH+]2CCOCC2)CC1 ZINC001256692382 808551242 /nfs/dbraw/zinc/55/12/42/808551242.db2.gz YHOKQHZSXJJPHW-RUXDESIVSA-N 2 2 282.384 0.877 20 0 CCADLP COC(=O)[C@@H]1CC[N@H+]1C1CCC([NH+]2CCOCC2)CC1 ZINC001256692382 808551246 /nfs/dbraw/zinc/55/12/46/808551246.db2.gz YHOKQHZSXJJPHW-RUXDESIVSA-N 2 2 282.384 0.877 20 0 CCADLP C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C[NH2+]CCO ZINC001279102584 808688018 /nfs/dbraw/zinc/68/80/18/808688018.db2.gz HPSAZRAXCJOKIT-NWDGAFQWSA-N 2 2 280.372 0.019 20 0 CCADLP C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCO ZINC001279102584 808688024 /nfs/dbraw/zinc/68/80/24/808688024.db2.gz HPSAZRAXCJOKIT-NWDGAFQWSA-N 2 2 280.372 0.019 20 0 CCADLP CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001076081573 815239652 /nfs/dbraw/zinc/23/96/52/815239652.db2.gz XZGMBPXTSOLNKB-QWHCGFSZSA-N 2 2 276.384 0.905 20 0 CCADLP CC[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001076081573 815239655 /nfs/dbraw/zinc/23/96/55/815239655.db2.gz XZGMBPXTSOLNKB-QWHCGFSZSA-N 2 2 276.384 0.905 20 0 CCADLP C[C@@H](C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)n1cc[nH+]c1 ZINC001262345899 809284771 /nfs/dbraw/zinc/28/47/71/809284771.db2.gz BDAKKFNWSJCGJV-SGMGOOAPSA-N 2 2 262.357 0.854 20 0 CCADLP C[C@@H](C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)n1cc[nH+]c1 ZINC001262345899 809284773 /nfs/dbraw/zinc/28/47/73/809284773.db2.gz BDAKKFNWSJCGJV-SGMGOOAPSA-N 2 2 262.357 0.854 20 0 CCADLP C[C@@H](CN1CC[NH+](C)CC1)Nc1cc[nH+]c(N)n1 ZINC001262683040 809393735 /nfs/dbraw/zinc/39/37/35/809393735.db2.gz UNTXVVBUEQIGTK-JTQLQIEISA-N 2 2 250.350 0.107 20 0 CCADLP [NH3+][C@H](CC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)C(F)F ZINC001263108045 809448531 /nfs/dbraw/zinc/44/85/31/809448531.db2.gz MUFOLXOHNCOHMJ-BXKDBHETSA-N 2 2 261.316 0.571 20 0 CCADLP CC[N@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1CCF ZINC001263816443 809576355 /nfs/dbraw/zinc/57/63/55/809576355.db2.gz CDILQONVFALYCG-GFCCVEGCSA-N 2 2 259.369 0.830 20 0 CCADLP CC[N@@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1CCF ZINC001263816443 809576356 /nfs/dbraw/zinc/57/63/56/809576356.db2.gz CDILQONVFALYCG-GFCCVEGCSA-N 2 2 259.369 0.830 20 0 CCADLP CC[NH+](C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001263816443 809576358 /nfs/dbraw/zinc/57/63/58/809576358.db2.gz CDILQONVFALYCG-GFCCVEGCSA-N 2 2 259.369 0.830 20 0 CCADLP CC[NH+](C)CCC(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001263816443 809576360 /nfs/dbraw/zinc/57/63/60/809576360.db2.gz CDILQONVFALYCG-GFCCVEGCSA-N 2 2 259.369 0.830 20 0 CCADLP COCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001265089078 809706324 /nfs/dbraw/zinc/70/63/24/809706324.db2.gz JIXFBPGUWXPRIC-OCCSQVGLSA-N 2 2 294.399 0.958 20 0 CCADLP CC[N@H+](CCO)CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001265119622 809711646 /nfs/dbraw/zinc/71/16/46/809711646.db2.gz LBRDWQHXBBXHEV-CYBMUJFWSA-N 2 2 294.399 0.266 20 0 CCADLP CC[N@@H+](CCO)CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001265119622 809711653 /nfs/dbraw/zinc/71/16/53/809711653.db2.gz LBRDWQHXBBXHEV-CYBMUJFWSA-N 2 2 294.399 0.266 20 0 CCADLP CC(C)COCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001265448498 809781681 /nfs/dbraw/zinc/78/16/81/809781681.db2.gz ZIWRVRWYFMKKIQ-ZDUSSCGKSA-N 2 2 294.399 0.815 20 0 CCADLP C[N@H+](CCCO)CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001265874982 809881933 /nfs/dbraw/zinc/88/19/33/809881933.db2.gz SAPSXYXRMKTTGE-UHFFFAOYSA-N 2 2 290.367 0.997 20 0 CCADLP C[N@@H+](CCCO)CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001265874982 809881935 /nfs/dbraw/zinc/88/19/35/809881935.db2.gz SAPSXYXRMKTTGE-UHFFFAOYSA-N 2 2 290.367 0.997 20 0 CCADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[C@H]([NH2+]CCCF)C1 ZINC001265914073 809893523 /nfs/dbraw/zinc/89/35/23/809893523.db2.gz DMIPGFZOWZNQIK-STQMWFEESA-N 2 2 294.374 0.996 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@H]([NH2+]CCCO)C1 ZINC001266072255 809929637 /nfs/dbraw/zinc/92/96/37/809929637.db2.gz VOAZLFAXXMIBJG-NWDGAFQWSA-N 2 2 280.372 0.352 20 0 CCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C[NH2+]CCCO ZINC001279139060 809971323 /nfs/dbraw/zinc/97/13/23/809971323.db2.gz UVKNQGYZKAJSDH-KGLIPLIRSA-N 2 2 294.399 0.340 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C[C@H]([NH3+])C(F)F ZINC000724737324 809988468 /nfs/dbraw/zinc/98/84/68/809988468.db2.gz AOTBAQYLCZXJFL-IVZWLZJFSA-N 2 2 261.316 0.664 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C[C@H]([NH3+])C(F)F ZINC000724737324 809988471 /nfs/dbraw/zinc/98/84/71/809988471.db2.gz AOTBAQYLCZXJFL-IVZWLZJFSA-N 2 2 261.316 0.664 20 0 CCADLP C[C@H](CC(=O)N(C)CC[NH2+]CCCO)n1cc[nH+]c1 ZINC001267433555 811301946 /nfs/dbraw/zinc/30/19/46/811301946.db2.gz JTKKAHYVABILCD-GFCCVEGCSA-N 2 2 268.361 0.265 20 0 CCADLP C[C@@H](O)C[NH2+]CCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001267439507 811307253 /nfs/dbraw/zinc/30/72/53/811307253.db2.gz LCUGHUVAFRYEKG-GHMZBOCLSA-N 2 2 268.361 0.017 20 0 CCADLP C[C@@H](O)C[NH2+]CCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001267439507 811307266 /nfs/dbraw/zinc/30/72/66/811307266.db2.gz LCUGHUVAFRYEKG-GHMZBOCLSA-N 2 2 268.361 0.017 20 0 CCADLP Cc1cnc(C[NH2+]CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001267470640 811353344 /nfs/dbraw/zinc/35/33/44/811353344.db2.gz ZBMUHBSTEFUQKJ-GFCCVEGCSA-N 2 2 280.372 0.483 20 0 CCADLP Cc1cnc(C[NH2+]CCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001267470640 811353359 /nfs/dbraw/zinc/35/33/59/811353359.db2.gz ZBMUHBSTEFUQKJ-GFCCVEGCSA-N 2 2 280.372 0.483 20 0 CCADLP O=S1(=O)CCCC[C@@H]1C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000694523821 811469080 /nfs/dbraw/zinc/46/90/80/811469080.db2.gz NCCNEUFRYCYTIW-BSCCGWMCSA-N 2 2 284.425 0.540 20 0 CCADLP c1c2c(nnc1N[C@@H]1CCC[N@@H+](C3COC3)C1)C[NH2+]C2 ZINC001168368227 815453692 /nfs/dbraw/zinc/45/36/92/815453692.db2.gz JQHVYQXGIRJWEJ-LLVKDONJSA-N 2 2 275.356 0.355 20 0 CCADLP c1c2c(nnc1N[C@@H]1CCC[N@H+](C3COC3)C1)C[NH2+]C2 ZINC001168368227 815453693 /nfs/dbraw/zinc/45/36/93/815453693.db2.gz JQHVYQXGIRJWEJ-LLVKDONJSA-N 2 2 275.356 0.355 20 0 CCADLP CCOCC[N@@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001267620135 811578245 /nfs/dbraw/zinc/57/82/45/811578245.db2.gz VSCQXKGNJHNDRO-CYBMUJFWSA-N 2 2 294.399 0.878 20 0 CCADLP CCOCC[N@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001267620135 811578251 /nfs/dbraw/zinc/57/82/51/811578251.db2.gz VSCQXKGNJHNDRO-CYBMUJFWSA-N 2 2 294.399 0.878 20 0 CCADLP O=C(NC[C@@H]1CC[N@H+]1CCCO)[C@H]1CCCc2[nH+]ccn21 ZINC001038345142 811670138 /nfs/dbraw/zinc/67/01/38/811670138.db2.gz JKQPPSDHJDFUKE-QWHCGFSZSA-N 2 2 292.383 0.333 20 0 CCADLP O=C(NC[C@@H]1CC[N@@H+]1CCCO)[C@H]1CCCc2[nH+]ccn21 ZINC001038345142 811670145 /nfs/dbraw/zinc/67/01/45/811670145.db2.gz JKQPPSDHJDFUKE-QWHCGFSZSA-N 2 2 292.383 0.333 20 0 CCADLP Cc1[nH+]cn(-c2ccc(-n3ccc(CC[NH3+])n3)nn2)c1C ZINC001167729757 811714293 /nfs/dbraw/zinc/71/42/93/811714293.db2.gz PXELDEVSTCBJKY-UHFFFAOYSA-N 2 2 283.339 0.966 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCN2CCOC2=O)[C@H]1C ZINC000692630379 811788836 /nfs/dbraw/zinc/78/88/36/811788836.db2.gz FFMAERORZHYSEM-WOPDTQHZSA-N 2 2 255.362 0.886 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCN2CCOC2=O)[C@H]1C ZINC000692630379 811788839 /nfs/dbraw/zinc/78/88/39/811788839.db2.gz FFMAERORZHYSEM-WOPDTQHZSA-N 2 2 255.362 0.886 20 0 CCADLP CC(C)=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001083572154 815480474 /nfs/dbraw/zinc/48/04/74/815480474.db2.gz CPWYLAGWGWFCGW-KFWWJZLASA-N 2 2 295.427 0.598 20 0 CCADLP CC(C)=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@@H](O)C1 ZINC001083572154 815480477 /nfs/dbraw/zinc/48/04/77/815480477.db2.gz CPWYLAGWGWFCGW-KFWWJZLASA-N 2 2 295.427 0.598 20 0 CCADLP CC(C)=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083572154 815480480 /nfs/dbraw/zinc/48/04/80/815480480.db2.gz CPWYLAGWGWFCGW-KFWWJZLASA-N 2 2 295.427 0.598 20 0 CCADLP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083572154 815480483 /nfs/dbraw/zinc/48/04/83/815480483.db2.gz CPWYLAGWGWFCGW-KFWWJZLASA-N 2 2 295.427 0.598 20 0 CCADLP C[C@H](O)C[N@H+](C)[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001027436281 812010691 /nfs/dbraw/zinc/01/06/91/812010691.db2.gz UBSISUVEQATMOT-GXTWGEPZSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@H](O)C[N@@H+](C)[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001027436281 812010700 /nfs/dbraw/zinc/01/07/00/812010700.db2.gz UBSISUVEQATMOT-GXTWGEPZSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@H](O)C[N@H+](C)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001027436281 812010712 /nfs/dbraw/zinc/01/07/12/812010712.db2.gz UBSISUVEQATMOT-GXTWGEPZSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@H](O)C[N@@H+](C)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001027436281 812010718 /nfs/dbraw/zinc/01/07/18/812010718.db2.gz UBSISUVEQATMOT-GXTWGEPZSA-N 2 2 294.399 0.646 20 0 CCADLP CCN1CCC[C@H]([NH2+][C@H](C)C[C@H]2COCC[NH2+]2)C1=O ZINC000722352786 812141988 /nfs/dbraw/zinc/14/19/88/812141988.db2.gz LDIZQZWBQBTWLW-AGIUHOORSA-N 2 2 269.389 0.354 20 0 CCADLP O=C(NC[C@@H]1CCC[N@H+]1CCO)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001027945332 812157619 /nfs/dbraw/zinc/15/76/19/812157619.db2.gz WEBBZIVMGOTJKE-QJPTWQEYSA-N 2 2 278.356 0.086 20 0 CCADLP O=C(NC[C@@H]1CCC[N@@H+]1CCO)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001027945332 812157622 /nfs/dbraw/zinc/15/76/22/812157622.db2.gz WEBBZIVMGOTJKE-QJPTWQEYSA-N 2 2 278.356 0.086 20 0 CCADLP COC(=O)c1c[nH+]ccc1NCC[NH+]1CCSCC1 ZINC001167839708 812255320 /nfs/dbraw/zinc/25/53/20/812255320.db2.gz RNJQYDRDPIVMNZ-UHFFFAOYSA-N 2 2 281.381 0.751 20 0 CCADLP COCC[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001268228582 812383750 /nfs/dbraw/zinc/38/37/50/812383750.db2.gz WDNVJZJNCKEAMA-LBPRGKRZSA-N 2 2 268.361 0.260 20 0 CCADLP C[C@@H](CC[NH2+]CCCO)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001268377685 812531603 /nfs/dbraw/zinc/53/16/03/812531603.db2.gz MFSJNEYGTFVJRS-QWHCGFSZSA-N 2 2 294.399 0.312 20 0 CCADLP C[C@H](O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001268804192 813093811 /nfs/dbraw/zinc/09/38/11/813093811.db2.gz ZFDQBVPWQQSQOE-QWHCGFSZSA-N 2 2 294.399 0.264 20 0 CCADLP CCOCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC001268969668 813163917 /nfs/dbraw/zinc/16/39/17/813163917.db2.gz GKHBGVIGTRKENX-KBPBESRZSA-N 2 2 292.383 0.664 20 0 CCADLP CCOCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC001268969668 813163920 /nfs/dbraw/zinc/16/39/20/813163920.db2.gz GKHBGVIGTRKENX-KBPBESRZSA-N 2 2 292.383 0.664 20 0 CCADLP COCC[N@@H+]1CC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001269339460 813331808 /nfs/dbraw/zinc/33/18/08/813331808.db2.gz ZTLJMPCQYHXUFU-LLVKDONJSA-N 2 2 266.345 0.098 20 0 CCADLP COCC[N@H+]1CC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001269339460 813331810 /nfs/dbraw/zinc/33/18/10/813331810.db2.gz ZTLJMPCQYHXUFU-LLVKDONJSA-N 2 2 266.345 0.098 20 0 CCADLP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CCOC ZINC001269471403 813383434 /nfs/dbraw/zinc/38/34/34/813383434.db2.gz JIIOUDWJHNKDAW-YNEHKIRRSA-N 2 2 294.399 0.654 20 0 CCADLP CN(C(=O)CCCC[NH+]1CCCC1)C1C[NH+](CCO)C1 ZINC001269899668 813551397 /nfs/dbraw/zinc/55/13/97/813551397.db2.gz OVTPZHSOSPCFBS-UHFFFAOYSA-N 2 2 283.416 0.387 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]C[C@@H]1CCOC1 ZINC001126447450 813630317 /nfs/dbraw/zinc/63/03/17/813630317.db2.gz GAYSUYKBGKRFGU-NSHDSACASA-N 2 2 266.345 0.085 20 0 CCADLP C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CCCc2c[nH+]cn21 ZINC001270391142 813743717 /nfs/dbraw/zinc/74/37/17/813743717.db2.gz XRGDKRRYJIVDHR-MJBXVCDLSA-N 2 2 290.367 0.302 20 0 CCADLP C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CCCc2c[nH+]cn21 ZINC001270391142 813743722 /nfs/dbraw/zinc/74/37/22/813743722.db2.gz XRGDKRRYJIVDHR-MJBXVCDLSA-N 2 2 290.367 0.302 20 0 CCADLP COCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001270435674 813762499 /nfs/dbraw/zinc/76/24/99/813762499.db2.gz FWRBVIMRJVDHJL-QWHCGFSZSA-N 2 2 294.399 0.434 20 0 CCADLP CO[C@@H](C)C[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001167977042 813879019 /nfs/dbraw/zinc/87/90/19/813879019.db2.gz GGEKGUHOGMKQDD-RYUDHWBXSA-N 2 2 282.388 0.719 20 0 CCADLP CO[C@@H](C)C[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001167977042 813879026 /nfs/dbraw/zinc/87/90/26/813879026.db2.gz GGEKGUHOGMKQDD-RYUDHWBXSA-N 2 2 282.388 0.719 20 0 CCADLP CCOCC[N@@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001270665668 813881435 /nfs/dbraw/zinc/88/14/35/813881435.db2.gz RHCUEHHPAKOWJA-AWEZNQCLSA-N 2 2 280.372 0.500 20 0 CCADLP CCOCC[N@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001270665668 813881446 /nfs/dbraw/zinc/88/14/46/813881446.db2.gz RHCUEHHPAKOWJA-AWEZNQCLSA-N 2 2 280.372 0.500 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCO ZINC001029289946 814045305 /nfs/dbraw/zinc/04/53/05/814045305.db2.gz TYCPRULXLZKGFQ-BETUJISGSA-N 2 2 292.383 0.400 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCO ZINC001029289946 814045310 /nfs/dbraw/zinc/04/53/10/814045310.db2.gz TYCPRULXLZKGFQ-BETUJISGSA-N 2 2 292.383 0.400 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC3(CC[NH+]3C3CCCC3)C2)C1 ZINC001270980792 814107672 /nfs/dbraw/zinc/10/76/72/814107672.db2.gz WOGKLNHCACQYFC-CQSZACIVSA-N 2 2 293.411 0.546 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2CC3(CC[NH+]3C3CCCC3)C2)C1 ZINC001270980792 814107676 /nfs/dbraw/zinc/10/76/76/814107676.db2.gz WOGKLNHCACQYFC-CQSZACIVSA-N 2 2 293.411 0.546 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2CC3(CC[N@@H+]3C3CCCC3)C2)C1 ZINC001270980792 814107677 /nfs/dbraw/zinc/10/76/77/814107677.db2.gz WOGKLNHCACQYFC-CQSZACIVSA-N 2 2 293.411 0.546 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2CC3(CC[N@H+]3C3CCCC3)C2)C1 ZINC001270980792 814107681 /nfs/dbraw/zinc/10/76/81/814107681.db2.gz WOGKLNHCACQYFC-CQSZACIVSA-N 2 2 293.411 0.546 20 0 CCADLP C[NH+]1CCO[C@H]2CN(C(=O)C[C@H]3CCC[N@@H+](C)C3)C[C@@H]21 ZINC001271015219 814116197 /nfs/dbraw/zinc/11/61/97/814116197.db2.gz AMECPDRLHTWJQN-RDBSUJKOSA-N 2 2 281.400 0.260 20 0 CCADLP C[NH+]1CCO[C@H]2CN(C(=O)C[C@H]3CCC[N@H+](C)C3)C[C@@H]21 ZINC001271015219 814116206 /nfs/dbraw/zinc/11/62/06/814116206.db2.gz AMECPDRLHTWJQN-RDBSUJKOSA-N 2 2 281.400 0.260 20 0 CCADLP C[NH+]1CCC[C@H](CC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)C1 ZINC001271015219 814116214 /nfs/dbraw/zinc/11/62/14/814116214.db2.gz AMECPDRLHTWJQN-RDBSUJKOSA-N 2 2 281.400 0.260 20 0 CCADLP C[NH+]1CCC[C@H](CC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)C1 ZINC001271015219 814116222 /nfs/dbraw/zinc/11/62/22/814116222.db2.gz AMECPDRLHTWJQN-RDBSUJKOSA-N 2 2 281.400 0.260 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1 ZINC001087988965 814305565 /nfs/dbraw/zinc/30/55/65/814305565.db2.gz JTBQDIBYADFNSX-OLZOCXBDSA-N 2 2 292.383 0.115 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001087988965 814305570 /nfs/dbraw/zinc/30/55/70/814305570.db2.gz JTBQDIBYADFNSX-OLZOCXBDSA-N 2 2 292.383 0.115 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1 ZINC001087988965 814305578 /nfs/dbraw/zinc/30/55/78/814305578.db2.gz JTBQDIBYADFNSX-OLZOCXBDSA-N 2 2 292.383 0.115 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001087988965 814305585 /nfs/dbraw/zinc/30/55/85/814305585.db2.gz JTBQDIBYADFNSX-OLZOCXBDSA-N 2 2 292.383 0.115 20 0 CCADLP COCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001088151362 814428271 /nfs/dbraw/zinc/42/82/71/814428271.db2.gz APQXPZAOVXSFCR-OLZOCXBDSA-N 2 2 292.383 0.379 20 0 CCADLP COCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001088151362 814428275 /nfs/dbraw/zinc/42/82/75/814428275.db2.gz APQXPZAOVXSFCR-OLZOCXBDSA-N 2 2 292.383 0.379 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCF)C1 ZINC001029582725 814452543 /nfs/dbraw/zinc/45/25/43/814452543.db2.gz BPBFBGSXBAUURA-UPJWGTAASA-N 2 2 269.364 0.583 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCF)C1 ZINC001029582725 814452550 /nfs/dbraw/zinc/45/25/50/814452550.db2.gz BPBFBGSXBAUURA-UPJWGTAASA-N 2 2 269.364 0.583 20 0 CCADLP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCF)C1 ZINC001029582725 814452554 /nfs/dbraw/zinc/45/25/54/814452554.db2.gz BPBFBGSXBAUURA-UPJWGTAASA-N 2 2 269.364 0.583 20 0 CCADLP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCF)C1 ZINC001029582725 814452560 /nfs/dbraw/zinc/45/25/60/814452560.db2.gz BPBFBGSXBAUURA-UPJWGTAASA-N 2 2 269.364 0.583 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCCCC[C@H]([NH2+]CCO)C1 ZINC001088355569 814640372 /nfs/dbraw/zinc/64/03/72/814640372.db2.gz AZMVOCUBIZPZFU-AWEZNQCLSA-N 2 2 294.399 0.626 20 0 CCADLP C[C@H](O)C[NH2+][C@@H]1CCCCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001088404989 814674701 /nfs/dbraw/zinc/67/47/01/814674701.db2.gz LWIFEGBKSFKOFL-QWHCGFSZSA-N 2 2 294.399 0.694 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001030302249 815966955 /nfs/dbraw/zinc/96/69/55/815966955.db2.gz ZCMBISQZYYQKEE-DGCLKSJQSA-N 2 2 269.389 0.040 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001030302249 815966958 /nfs/dbraw/zinc/96/69/58/815966958.db2.gz ZCMBISQZYYQKEE-DGCLKSJQSA-N 2 2 269.389 0.040 20 0 CCADLP O=C(NC1C[NH+](CCCF)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001030323369 815975964 /nfs/dbraw/zinc/97/59/64/815975964.db2.gz LGXLTCGRNBWFLX-ZDUSSCGKSA-N 2 2 269.364 0.488 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001030400592 816015027 /nfs/dbraw/zinc/01/50/27/816015027.db2.gz BGKDNYBTIQAIPE-AAEUAGOBSA-N 2 2 269.389 0.042 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001030400592 816015033 /nfs/dbraw/zinc/01/50/33/816015033.db2.gz BGKDNYBTIQAIPE-AAEUAGOBSA-N 2 2 269.389 0.042 20 0 CCADLP O=C(NC1C[NH+](CCCO)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001030443496 816042047 /nfs/dbraw/zinc/04/20/47/816042047.db2.gz TXPPQMQTXYBZAQ-HNNXBMFYSA-N 2 2 295.427 0.576 20 0 CCADLP O=C(NC1C[NH+](CCCO)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001030443496 816042053 /nfs/dbraw/zinc/04/20/53/816042053.db2.gz TXPPQMQTXYBZAQ-HNNXBMFYSA-N 2 2 295.427 0.576 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC1C[NH+](CCO)C1 ZINC001030444800 816042555 /nfs/dbraw/zinc/04/25/55/816042555.db2.gz NLABHXPZVJGTBP-CYBMUJFWSA-N 2 2 269.389 0.042 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC1C[NH+](CCO)C1 ZINC001030444800 816042561 /nfs/dbraw/zinc/04/25/61/816042561.db2.gz NLABHXPZVJGTBP-CYBMUJFWSA-N 2 2 269.389 0.042 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CC[C@@H]2CCOC2)C1 ZINC001030532693 816090308 /nfs/dbraw/zinc/09/03/08/816090308.db2.gz UNRBVIWSZLCFRB-HIFRSBDPSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CC[C@@H]2CCOC2)C1 ZINC001030532693 816090315 /nfs/dbraw/zinc/09/03/15/816090315.db2.gz UNRBVIWSZLCFRB-HIFRSBDPSA-N 2 2 295.427 0.698 20 0 CCADLP CC(C)C[NH+]1CC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001030545578 816100579 /nfs/dbraw/zinc/10/05/79/816100579.db2.gz XFPDRXKLBZFKHM-LBPRGKRZSA-N 2 2 276.384 0.902 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001088981710 816201160 /nfs/dbraw/zinc/20/11/60/816201160.db2.gz IUMUCLNDVDGGEI-SCRDCRAPSA-N 2 2 294.399 0.577 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001088981710 816201166 /nfs/dbraw/zinc/20/11/66/816201166.db2.gz IUMUCLNDVDGGEI-SCRDCRAPSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CCCF ZINC001088981857 816201887 /nfs/dbraw/zinc/20/18/87/816201887.db2.gz QFYKZBISRIRGBY-YPMHNXCESA-N 2 2 282.363 0.901 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1CCCF ZINC001088981857 816201891 /nfs/dbraw/zinc/20/18/91/816201891.db2.gz QFYKZBISRIRGBY-YPMHNXCESA-N 2 2 282.363 0.901 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC1C[NH+](CC(C)C)C1 ZINC001030683256 816216865 /nfs/dbraw/zinc/21/68/65/816216865.db2.gz BUVNGUXNODYGLD-UHFFFAOYSA-N 2 2 250.346 0.648 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCF)[C@@H]2C)C1 ZINC001089052858 816226517 /nfs/dbraw/zinc/22/65/17/816226517.db2.gz ATEKAPKEAJJCMH-AGIUHOORSA-N 2 2 287.379 0.256 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](CCF)[C@@H]2C)C1 ZINC001089052858 816226519 /nfs/dbraw/zinc/22/65/19/816226519.db2.gz ATEKAPKEAJJCMH-AGIUHOORSA-N 2 2 287.379 0.256 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CCF)[C@@H]2C)C1 ZINC001089052858 816226523 /nfs/dbraw/zinc/22/65/23/816226523.db2.gz ATEKAPKEAJJCMH-AGIUHOORSA-N 2 2 287.379 0.256 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](CCF)[C@@H]2C)C1 ZINC001089052858 816226525 /nfs/dbraw/zinc/22/65/25/816226525.db2.gz ATEKAPKEAJJCMH-AGIUHOORSA-N 2 2 287.379 0.256 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001030741523 816259058 /nfs/dbraw/zinc/25/90/58/816259058.db2.gz DSVAEMKBAFDTMH-IUODEOHRSA-N 2 2 295.427 0.696 20 0 CCADLP CCC[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001030832871 816326638 /nfs/dbraw/zinc/32/66/38/816326638.db2.gz LQLDFTUUCRXGHA-CYBMUJFWSA-N 2 2 269.389 0.306 20 0 CCADLP CCC[NH+]1CC(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001030832871 816326644 /nfs/dbraw/zinc/32/66/44/816326644.db2.gz LQLDFTUUCRXGHA-CYBMUJFWSA-N 2 2 269.389 0.306 20 0 CCADLP CC(C)C[NH+]1CC2(C1)COCC(=O)N2CCn1cc[nH+]c1 ZINC001272412382 816401021 /nfs/dbraw/zinc/40/10/21/816401021.db2.gz BRGNHLZYVFETTL-UHFFFAOYSA-N 2 2 292.383 0.452 20 0 CCADLP CC(C)CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001272442775 816435771 /nfs/dbraw/zinc/43/57/71/816435771.db2.gz HTVWZYVUNPMCML-JHJVBQTASA-N 2 2 294.399 0.626 20 0 CCADLP CC(C)CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001272442775 816435773 /nfs/dbraw/zinc/43/57/73/816435773.db2.gz HTVWZYVUNPMCML-JHJVBQTASA-N 2 2 294.399 0.626 20 0 CCADLP CC[C@@H](C[NH+]1CC(NC(=O)C[N@@H+]2CCC[C@H]2C)C1)OC ZINC001030956295 816498540 /nfs/dbraw/zinc/49/85/40/816498540.db2.gz XNRCJYSGELUKKZ-OCCSQVGLSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@@H](C[NH+]1CC(NC(=O)C[N@H+]2CCC[C@H]2C)C1)OC ZINC001030956295 816498543 /nfs/dbraw/zinc/49/85/43/816498543.db2.gz XNRCJYSGELUKKZ-OCCSQVGLSA-N 2 2 283.416 0.696 20 0 CCADLP COCC[NH+]1CC(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001031104289 816650581 /nfs/dbraw/zinc/65/05/81/816650581.db2.gz NCCZKZQLFZNNQW-UHFFFAOYSA-N 2 2 291.395 0.809 20 0 CCADLP Cc1nc(N[C@H](CO)CNC(=O)CCC[NH+](C)C)cc[nH+]1 ZINC001122417394 816690094 /nfs/dbraw/zinc/69/00/94/816690094.db2.gz WXHDKPYAWQHDDT-LBPRGKRZSA-N 2 2 295.387 0.016 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001031188446 816766014 /nfs/dbraw/zinc/76/60/14/816766014.db2.gz MTAAXQIDBXHQBE-CYBMUJFWSA-N 2 2 297.443 0.942 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106705169 816859049 /nfs/dbraw/zinc/85/90/49/816859049.db2.gz UWEUFJABFCRYBC-FRRDWIJNSA-N 2 2 294.399 0.671 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NC2C[NH+](CCC(C)(C)C)C2)C1 ZINC001031417856 817042502 /nfs/dbraw/zinc/04/25/02/817042502.db2.gz DMJNSFDFEBOAFY-AWEZNQCLSA-N 2 2 297.443 0.944 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NC2C[NH+](CCC(C)(C)C)C2)C1 ZINC001031417856 817042509 /nfs/dbraw/zinc/04/25/09/817042509.db2.gz DMJNSFDFEBOAFY-AWEZNQCLSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1C[NH+](CCCO)C1 ZINC001031432220 817050050 /nfs/dbraw/zinc/05/00/50/817050050.db2.gz YULBJABFYJKINY-RYUDHWBXSA-N 2 2 269.389 0.042 20 0 CCADLP O=C(NCC[NH2+]Cc1ncccn1)[C@@H]1C[NH+]2CCC1CC2 ZINC001127473618 817146189 /nfs/dbraw/zinc/14/61/89/817146189.db2.gz ARIPRLCTNZPVFU-CYBMUJFWSA-N 2 2 289.383 0.024 20 0 CCADLP O=C(NCC1C[NH+](CCF)C1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001031668725 817231271 /nfs/dbraw/zinc/23/12/71/817231271.db2.gz MZSDFOXGNWHJAG-KGLIPLIRSA-N 2 2 283.391 0.878 20 0 CCADLP O=C(NCC1C[NH+](CCF)C1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001031668725 817231278 /nfs/dbraw/zinc/23/12/78/817231278.db2.gz MZSDFOXGNWHJAG-KGLIPLIRSA-N 2 2 283.391 0.878 20 0 CCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](CCF)C2)C1 ZINC001031920979 817465792 /nfs/dbraw/zinc/46/57/92/817465792.db2.gz DKICSILXKPBULH-ZDUSSCGKSA-N 2 2 287.379 0.113 20 0 CCADLP CC(C)[N@H+]1CCO[C@H](C(=O)NCC2C[NH+](CCF)C2)C1 ZINC001031920979 817465796 /nfs/dbraw/zinc/46/57/96/817465796.db2.gz DKICSILXKPBULH-ZDUSSCGKSA-N 2 2 287.379 0.113 20 0 CCADLP O=C(NCC1C[NH+](CCCO)C1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001031968195 817504745 /nfs/dbraw/zinc/50/47/45/817504745.db2.gz QQXHQROVJYBSEB-GFCCVEGCSA-N 2 2 292.383 0.260 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001124836004 817588107 /nfs/dbraw/zinc/58/81/07/817588107.db2.gz DOAAXSWKVHDINK-NSHDSACASA-N 2 2 293.371 0.247 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001124836004 817588113 /nfs/dbraw/zinc/58/81/13/817588113.db2.gz DOAAXSWKVHDINK-NSHDSACASA-N 2 2 293.371 0.247 20 0 CCADLP CC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001078761407 818050121 /nfs/dbraw/zinc/05/01/21/818050121.db2.gz LPPJZYCMSVHUBH-GHMZBOCLSA-N 2 2 262.357 0.989 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2c[nH]cc3ncnc2-3)CC1 ZINC001168736179 818542937 /nfs/dbraw/zinc/54/29/37/818542937.db2.gz BSNSANKMWGODIK-UHFFFAOYSA-N 2 2 259.317 0.552 20 0 CCADLP COc1nccc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001168736850 818552151 /nfs/dbraw/zinc/55/21/51/818552151.db2.gz RMBSKLZSTQKRNS-UHFFFAOYSA-N 2 2 250.306 0.079 20 0 CCADLP COC(=O)c1coc(=O)c(NC(=[NH2+])N2CC[NH+](C)CC2)c1 ZINC001168737100 818558661 /nfs/dbraw/zinc/55/86/61/818558661.db2.gz OXCREQDBFIGGON-UHFFFAOYSA-N 2 2 294.311 0.020 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc3ncnn3c2)CC1 ZINC001168737259 818562680 /nfs/dbraw/zinc/56/26/80/818562680.db2.gz XIAWAVMYJRBZSB-UHFFFAOYSA-N 2 2 259.317 0.323 20 0 CCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H]1CC[N@H+](CCO)C1 ZINC001033163376 818588930 /nfs/dbraw/zinc/58/89/30/818588930.db2.gz KBBZUBHRFPGRGY-IJLUTSLNSA-N 2 2 278.356 0.038 20 0 CCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033163376 818588939 /nfs/dbraw/zinc/58/89/39/818588939.db2.gz KBBZUBHRFPGRGY-IJLUTSLNSA-N 2 2 278.356 0.038 20 0 CCADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001033212232 818653141 /nfs/dbraw/zinc/65/31/41/818653141.db2.gz ROENNTGVVTZKRX-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001033212232 818653143 /nfs/dbraw/zinc/65/31/43/818653143.db2.gz ROENNTGVVTZKRX-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP Cc1[nH+]ccn1-c1cc(-n2cnc(C[NH3+])n2)ncn1 ZINC001168749668 818668913 /nfs/dbraw/zinc/66/89/13/818668913.db2.gz FFXARAWMBKXAGU-UHFFFAOYSA-N 2 2 256.273 0.010 20 0 CCADLP CN(C(=O)[C@@H]1CCCc2[nH+]c[nH]c21)[C@H]1CC[N@H+](CCO)C1 ZINC001033417361 818764409 /nfs/dbraw/zinc/76/44/09/818764409.db2.gz UDHZEPJREGARRU-NWDGAFQWSA-N 2 2 292.383 0.355 20 0 CCADLP CN(C(=O)[C@@H]1CCCc2[nH+]c[nH]c21)[C@H]1CC[N@@H+](CCO)C1 ZINC001033417361 818764416 /nfs/dbraw/zinc/76/44/16/818764416.db2.gz UDHZEPJREGARRU-NWDGAFQWSA-N 2 2 292.383 0.355 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033618446 818853592 /nfs/dbraw/zinc/85/35/92/818853592.db2.gz HALRRQQSQLTVIE-DGCLKSJQSA-N 2 2 294.399 0.828 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033618446 818853602 /nfs/dbraw/zinc/85/36/02/818853602.db2.gz HALRRQQSQLTVIE-DGCLKSJQSA-N 2 2 294.399 0.828 20 0 CCADLP C[NH+](C)C[C@H](N)C(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000702338172 819108079 /nfs/dbraw/zinc/10/80/79/819108079.db2.gz BKWKXDRZBBYRDS-NSHDSACASA-N 2 2 273.340 0.700 20 0 CCADLP COC[C@H](C)[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128972845 819248170 /nfs/dbraw/zinc/24/81/70/819248170.db2.gz KEKMGYNRXZDMIV-JTQLQIEISA-N 2 2 254.334 0.083 20 0 CCADLP COC[C@H](C)[NH2+]CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001128972845 819248174 /nfs/dbraw/zinc/24/81/74/819248174.db2.gz KEKMGYNRXZDMIV-JTQLQIEISA-N 2 2 254.334 0.083 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[C@H]([NH2+]CCF)CC1 ZINC001034744348 819318132 /nfs/dbraw/zinc/31/81/32/819318132.db2.gz RNQFUTDRPOCHDS-XYPYZODXSA-N 2 2 268.336 0.939 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)([NH3+])CC2)CCO1 ZINC000704512283 819387389 /nfs/dbraw/zinc/38/73/89/819387389.db2.gz QISOQABGLMCUBO-LLVKDONJSA-N 2 2 255.362 0.047 20 0 CCADLP CC[NH2+]C[C@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001035115688 819394923 /nfs/dbraw/zinc/39/49/23/819394923.db2.gz MYVLCIKDXYHGNX-LLVKDONJSA-N 2 2 250.346 0.861 20 0 CCADLP CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001035134647 819398721 /nfs/dbraw/zinc/39/87/21/819398721.db2.gz YRMFUAWGBURIGD-CABCVRRESA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+](C)C[C@@H]1C[NH+](C[C@H]2C[C@@H]([NH3+])C2)C[C@H]1C[NH+](C)C ZINC000705859407 819579325 /nfs/dbraw/zinc/57/93/25/819579325.db2.gz BWIIDXWYUSBUJF-TUVASFSCSA-N 4 2 268.449 0.395 20 0 CCADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1[NH2+]CCF ZINC001036239543 819711748 /nfs/dbraw/zinc/71/17/48/819711748.db2.gz LPUOKHWJBPEDDC-QWRGUYRKSA-N 2 2 268.336 0.748 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000710854973 819850615 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0.112 20 0 CCADLP C[C@@H]1C[NH+](CCF)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001079951294 820492512 /nfs/dbraw/zinc/49/25/12/820492512.db2.gz FRISMKPXYPHJLQ-FDYHWXHSSA-N 2 2 287.379 0.112 20 0 CCADLP CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@H](OC)C1 ZINC001082121839 820900617 /nfs/dbraw/zinc/90/06/17/820900617.db2.gz NPYQIXDBAKGSJZ-CYZMBNFOSA-N 2 2 292.383 0.665 20 0 CCADLP CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@H](OC)C1 ZINC001082121839 820900618 /nfs/dbraw/zinc/90/06/18/820900618.db2.gz NPYQIXDBAKGSJZ-CYZMBNFOSA-N 2 2 292.383 0.665 20 0 CCADLP [NH3+][C@]12C[C@H]1CN(c1cccc(N3CCOCC3)[nH+]1)C2 ZINC001165313195 821051333 /nfs/dbraw/zinc/05/13/33/821051333.db2.gz FXFFMQCLDYFMPL-FZMZJTMJSA-N 2 2 260.341 0.456 20 0 CCADLP CC(C)C[N@@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001099811252 821336812 /nfs/dbraw/zinc/33/68/12/821336812.db2.gz XKBYJYPNYDXQPN-QWHCGFSZSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)C[N@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001099811252 821336820 /nfs/dbraw/zinc/33/68/20/821336820.db2.gz XKBYJYPNYDXQPN-QWHCGFSZSA-N 2 2 294.399 0.550 20 0 CCADLP CCCC[N@@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099811314 821338727 /nfs/dbraw/zinc/33/87/27/821338727.db2.gz XTEDANYRDIZJOK-STQMWFEESA-N 2 2 294.399 0.694 20 0 CCADLP CCCC[N@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099811314 821338734 /nfs/dbraw/zinc/33/87/34/821338734.db2.gz XTEDANYRDIZJOK-STQMWFEESA-N 2 2 294.399 0.694 20 0 CCADLP CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001084775774 821383812 /nfs/dbraw/zinc/38/38/12/821383812.db2.gz UHNOIHCIMXUSCB-DGCLKSJQSA-N 2 2 262.357 0.515 20 0 CCADLP CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001084775774 821383828 /nfs/dbraw/zinc/38/38/28/821383828.db2.gz UHNOIHCIMXUSCB-DGCLKSJQSA-N 2 2 262.357 0.515 20 0 CCADLP NC(=O)c1cccnc1-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155052582 821982766 /nfs/dbraw/zinc/98/27/66/821982766.db2.gz CWIYWAXYZWTMPV-UHFFFAOYSA-N 2 2 271.324 0.833 20 0 CCADLP CN(C[C@H]1CC[N@@H+]1CCF)C(=O)C12CC[NH+](CC1)C2 ZINC001085927577 822021566 /nfs/dbraw/zinc/02/15/66/822021566.db2.gz BGMOFDCBGYRYHA-GFCCVEGCSA-N 2 2 269.364 0.584 20 0 CCADLP CN(C[C@H]1CC[N@H+]1CCF)C(=O)C12CC[NH+](CC1)C2 ZINC001085927577 822021574 /nfs/dbraw/zinc/02/15/74/822021574.db2.gz BGMOFDCBGYRYHA-GFCCVEGCSA-N 2 2 269.364 0.584 20 0 CCADLP CN(C[C@H]1CC[N@@H+]1CCF)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001085968815 822043597 /nfs/dbraw/zinc/04/35/97/822043597.db2.gz PVWBTBNHGWCHKE-VXGBXAGGSA-N 2 2 257.353 0.440 20 0 CCADLP CN(C[C@H]1CC[N@H+]1CCF)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001085968815 822043608 /nfs/dbraw/zinc/04/36/08/822043608.db2.gz PVWBTBNHGWCHKE-VXGBXAGGSA-N 2 2 257.353 0.440 20 0 CCADLP CN(C[C@H]1CC[NH+]1CCF)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001085968815 822043616 /nfs/dbraw/zinc/04/36/16/822043616.db2.gz PVWBTBNHGWCHKE-VXGBXAGGSA-N 2 2 257.353 0.440 20 0 CCADLP CN(C[C@H]1CC[NH+]1CCF)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001085968815 822043625 /nfs/dbraw/zinc/04/36/25/822043625.db2.gz PVWBTBNHGWCHKE-VXGBXAGGSA-N 2 2 257.353 0.440 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C)c1ncccn1 ZINC001129443801 837513866 /nfs/dbraw/zinc/51/38/66/837513866.db2.gz NLIQEECYJHZQDY-AAEUAGOBSA-N 2 2 291.399 0.584 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C)o1 ZINC001129947207 837597280 /nfs/dbraw/zinc/59/72/80/837597280.db2.gz OHMHAASPQXUCSN-ZDUSSCGKSA-N 2 2 297.403 0.424 20 0 CCADLP O=C(NCC[NH2+]Cc1cnon1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130190215 837719445 /nfs/dbraw/zinc/71/94/45/837719445.db2.gz XMKQFPXEDHYWJN-CHWSQXEVSA-N 2 2 293.371 0.292 20 0 CCADLP O=C(NCC[NH2+]Cc1cnon1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130190215 837719452 /nfs/dbraw/zinc/71/94/52/837719452.db2.gz XMKQFPXEDHYWJN-CHWSQXEVSA-N 2 2 293.371 0.292 20 0 CCADLP O=C(NCC[NH2+]CCC1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001130403764 837787504 /nfs/dbraw/zinc/78/75/04/837787504.db2.gz CIVHLCMHCQTFPJ-ZDUSSCGKSA-N 2 2 276.384 0.951 20 0 CCADLP O=C(NCC[NH2+]CC1CCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001130404747 837786037 /nfs/dbraw/zinc/78/60/37/837786037.db2.gz ODKPHHSBAUGNFW-ZDUSSCGKSA-N 2 2 276.384 0.951 20 0 CCADLP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1ncc(C)cn1 ZINC001130425393 837791716 /nfs/dbraw/zinc/79/17/16/837791716.db2.gz XKNMJGKQDIELRP-UHFFFAOYSA-N 2 2 293.415 0.721 20 0 CCADLP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1ncc(C)cn1 ZINC001130425393 837791719 /nfs/dbraw/zinc/79/17/19/837791719.db2.gz XKNMJGKQDIELRP-UHFFFAOYSA-N 2 2 293.415 0.721 20 0 CCADLP C[C@@H](O)CCC[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130477900 837801950 /nfs/dbraw/zinc/80/19/50/837801950.db2.gz NNTYYDPUOGGOCZ-OLZOCXBDSA-N 2 2 294.399 0.312 20 0 CCADLP O=C(NCC[NH2+]Cc1ccccn1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130481496 837804645 /nfs/dbraw/zinc/80/46/45/837804645.db2.gz UXVHCMAIMPPMQJ-CYBMUJFWSA-N 2 2 299.378 0.747 20 0 CCADLP CCCC[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130481035 837805311 /nfs/dbraw/zinc/80/53/11/837805311.db2.gz IQGWNAXXZHSYHT-LBPRGKRZSA-N 2 2 264.373 0.951 20 0 CCADLP COC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130481181 837805462 /nfs/dbraw/zinc/80/54/62/837805462.db2.gz MGUCJLXTBLOAPR-VXGBXAGGSA-N 2 2 280.372 0.186 20 0 CCADLP CCN(C)c1cc(NCCN(C)CC[NH3+])nc[nH+]1 ZINC001170497703 837808454 /nfs/dbraw/zinc/80/84/54/837808454.db2.gz ORHSHKVXBSIAPX-UHFFFAOYSA-N 2 2 252.366 0.235 20 0 CCADLP O=C(NCC[NH2+]CC1CCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001130485068 837809493 /nfs/dbraw/zinc/80/94/93/837809493.db2.gz ZSWSZEDGKNCLGH-ZDUSSCGKSA-N 2 2 276.384 0.951 20 0 CCADLP CC[C@@H](F)C[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130487601 837812201 /nfs/dbraw/zinc/81/22/01/837812201.db2.gz HXTBAEYQWWDRRJ-NWDGAFQWSA-N 2 2 282.363 0.899 20 0 CCADLP Cc1[nH+]cn(-c2ccc(NCCN(C)CC[NH3+])nn2)c1C ZINC001170498293 837813757 /nfs/dbraw/zinc/81/37/57/837813757.db2.gz JAGKATGFBNDPLS-UHFFFAOYSA-N 2 2 289.387 0.582 20 0 CCADLP Cc1[nH+]ccn1-c1cncc(NCCN(C)CC[NH3+])n1 ZINC001170498342 837815439 /nfs/dbraw/zinc/81/54/39/837815439.db2.gz KARLXHOWXQLCEK-UHFFFAOYSA-N 2 2 275.360 0.273 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001183379732 844019447 /nfs/dbraw/zinc/01/94/47/844019447.db2.gz PKGRQMUIDIBXMY-UPJWGTAASA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001183379732 844019455 /nfs/dbraw/zinc/01/94/55/844019455.db2.gz PKGRQMUIDIBXMY-UPJWGTAASA-N 2 2 269.389 0.164 20 0 CCADLP CC[N@@H+]1CCO[C@](C)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001108373481 835990338 /nfs/dbraw/zinc/99/03/38/835990338.db2.gz VTDLAGMBQHHYHW-OAHLLOKOSA-N 2 2 294.399 0.580 20 0 CCADLP CC[N@H+]1CCO[C@](C)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001108373481 835990348 /nfs/dbraw/zinc/99/03/48/835990348.db2.gz VTDLAGMBQHHYHW-OAHLLOKOSA-N 2 2 294.399 0.580 20 0 CCADLP COC(=O)Cc1cc(-n2nc(CC[NH3+])nc2C)cc[nH+]1 ZINC001168989931 836104090 /nfs/dbraw/zinc/10/40/90/836104090.db2.gz URYLJSQSXJCDTA-UHFFFAOYSA-N 2 2 275.312 0.187 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncnc2[nH]ccc21 ZINC001169072782 836125021 /nfs/dbraw/zinc/12/50/21/836125021.db2.gz YFHKITUXGDVFDF-MRVPVSSYSA-N 2 2 258.285 0.006 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc(F)c2nccn2c1 ZINC001169075547 836128098 /nfs/dbraw/zinc/12/80/98/836128098.db2.gz IGDUGJGORFTBDG-SECBINFHSA-N 2 2 275.287 0.521 20 0 CCADLP COC(=O)CCC(=O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169098165 836130998 /nfs/dbraw/zinc/13/09/98/836130998.db2.gz GHUFQMLPOXLJQP-ZSBIGDGJSA-N 2 2 268.357 0.724 20 0 CCADLP COC(=O)CCC(=O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169098165 836131000 /nfs/dbraw/zinc/13/10/00/836131000.db2.gz GHUFQMLPOXLJQP-ZSBIGDGJSA-N 2 2 268.357 0.724 20 0 CCADLP CCOCCC[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169212626 836162024 /nfs/dbraw/zinc/16/20/24/836162024.db2.gz WLFLQXBEZOWSCC-UHFFFAOYSA-N 2 2 268.361 0.475 20 0 CCADLP Cc1ncoc1C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169212446 836162087 /nfs/dbraw/zinc/16/20/87/836162087.db2.gz SVJCXKLORGAPGR-UHFFFAOYSA-N 2 2 277.328 0.545 20 0 CCADLP Cc1nc(NC[C@H](C)NC(=O)C23CC[NH+](CC2)C3)cc[nH+]1 ZINC001108455288 836188420 /nfs/dbraw/zinc/18/84/20/836188420.db2.gz ZFWPKLHLFLBLJQ-NSHDSACASA-N 2 2 289.383 0.797 20 0 CCADLP [NH3+]Cc1cnnn1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001169309411 836208523 /nfs/dbraw/zinc/20/85/23/836208523.db2.gz FEAUHXONMWTLPE-UHFFFAOYSA-N 3 2 269.312 0.061 20 0 CCADLP CCN(CC)C(=O)C[C@@H](C)[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC001169436755 836289645 /nfs/dbraw/zinc/28/96/45/836289645.db2.gz FNDYZFFQYVHRAI-VXGBXAGGSA-N 2 2 257.378 0.293 20 0 CCADLP CCN(CC)C(=O)C[C@@H](C)[N@H+]1CCO[C@H](C[NH3+])C1 ZINC001169436755 836289652 /nfs/dbraw/zinc/28/96/52/836289652.db2.gz FNDYZFFQYVHRAI-VXGBXAGGSA-N 2 2 257.378 0.293 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNc1ccc(N2CC[NH2+]CC2)nc1 ZINC001169652674 836408194 /nfs/dbraw/zinc/40/81/94/836408194.db2.gz AKYCFMFRZDDKGY-CQSZACIVSA-N 2 2 291.399 0.234 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNc1ccc(N2CC[NH2+]CC2)nc1 ZINC001169652674 836408199 /nfs/dbraw/zinc/40/81/99/836408199.db2.gz AKYCFMFRZDDKGY-CQSZACIVSA-N 2 2 291.399 0.234 20 0 CCADLP C[C@H]([NH3+])c1ccc(NC[C@@H]2COCC[N@@H+]2C)cn1 ZINC001169660791 836414177 /nfs/dbraw/zinc/41/41/77/836414177.db2.gz QEWSDENTXBPHMV-CMPLNLGQSA-N 2 2 250.346 0.844 20 0 CCADLP C[C@H]([NH3+])c1ccc(NC[C@@H]2COCC[N@H+]2C)cn1 ZINC001169660791 836414185 /nfs/dbraw/zinc/41/41/85/836414185.db2.gz QEWSDENTXBPHMV-CMPLNLGQSA-N 2 2 250.346 0.844 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNc1ccc2c(c1)COC21C[NH2+]C1 ZINC001169660818 836414498 /nfs/dbraw/zinc/41/44/98/836414498.db2.gz QSYYRVJUZXCULI-CQSZACIVSA-N 2 2 289.379 0.758 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNc1ccc2c(c1)COC21C[NH2+]C1 ZINC001169660818 836414501 /nfs/dbraw/zinc/41/45/01/836414501.db2.gz QSYYRVJUZXCULI-CQSZACIVSA-N 2 2 289.379 0.758 20 0 CCADLP COCCOc1cc(NC[C@H]2COCC[NH2+]2)cc[nH+]1 ZINC001170046724 836792014 /nfs/dbraw/zinc/79/20/14/836792014.db2.gz HGNFVLVYEIVXIR-LBPRGKRZSA-N 2 2 267.329 0.507 20 0 CCADLP CC[N@@H+](C)C(C)(C)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC001113035056 837003950 /nfs/dbraw/zinc/00/39/50/837003950.db2.gz HNCLLDSFVQRQNC-LBPRGKRZSA-N 2 2 271.405 0.242 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+](CCOCC3CC3)CC2)C1 ZINC001113629668 837181638 /nfs/dbraw/zinc/18/16/38/837181638.db2.gz SHSUFSWUIJSLHZ-OAHLLOKOSA-N 2 2 295.427 0.509 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)N2CC[NH+](CCOCC3CC3)CC2)C1 ZINC001113629668 837181642 /nfs/dbraw/zinc/18/16/42/837181642.db2.gz SHSUFSWUIJSLHZ-OAHLLOKOSA-N 2 2 295.427 0.509 20 0 CCADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@H+](CC[NH3+])CCO ZINC001170412475 837333982 /nfs/dbraw/zinc/33/39/82/837333982.db2.gz QZNOKODLSIOKQW-ZDUSSCGKSA-N 2 2 280.368 0.989 20 0 CCADLP CC[C@@H](Cc1ccc2c(c1)OCO2)[N@@H+](CC[NH3+])CCO ZINC001170412475 837333993 /nfs/dbraw/zinc/33/39/93/837333993.db2.gz QZNOKODLSIOKQW-ZDUSSCGKSA-N 2 2 280.368 0.989 20 0 CCADLP COC(=O)[C@@H](CCCC[NH3+])[NH2+][C@@H]1CC[C@@H](C(=O)OC)C1 ZINC001170508177 837872362 /nfs/dbraw/zinc/87/23/62/837872362.db2.gz FVTDZKMQKUHISR-IJLUTSLNSA-N 2 2 286.372 0.588 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cnc(-c2ccco2)cn1 ZINC001158204893 837977508 /nfs/dbraw/zinc/97/75/08/837977508.db2.gz UMUCYSMWIPVNML-SNVBAGLBSA-N 2 2 285.307 0.784 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]C[C@H]1CCOC1 ZINC001131656804 838171455 /nfs/dbraw/zinc/17/14/55/838171455.db2.gz ZVOPPLZRGMPVOJ-GFCCVEGCSA-N 2 2 280.372 0.095 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]Cc1cncs1 ZINC001131656543 838171705 /nfs/dbraw/zinc/17/17/05/838171705.db2.gz RVQPQENDNXJSDJ-UHFFFAOYSA-N 2 2 293.396 0.715 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]C[C@H]1CCCOC1 ZINC001132079829 838312705 /nfs/dbraw/zinc/31/27/05/838312705.db2.gz OPLMJENZCGXXKT-CYBMUJFWSA-N 2 2 280.372 0.406 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C[N@@H+]1CCO ZINC001132456555 838402350 /nfs/dbraw/zinc/40/23/50/838402350.db2.gz GLWTXUOZQFKKPN-STQMWFEESA-N 2 2 294.399 0.314 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C[N@H+]1CCO ZINC001132456555 838402355 /nfs/dbraw/zinc/40/23/55/838402355.db2.gz GLWTXUOZQFKKPN-STQMWFEESA-N 2 2 294.399 0.314 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)CCC[NH+](C)C)oc1C ZINC001133040296 838538452 /nfs/dbraw/zinc/53/84/52/838538452.db2.gz KKUGARLKXLIPMO-UHFFFAOYSA-N 2 2 282.388 0.839 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)CCC[NH+](C)C)o1 ZINC001133052014 838542847 /nfs/dbraw/zinc/54/28/47/838542847.db2.gz YGIMSXAOVZLMHH-JTQLQIEISA-N 2 2 283.376 0.487 20 0 CCADLP C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C[NH2+]CCF ZINC001133134176 838559742 /nfs/dbraw/zinc/55/97/42/838559742.db2.gz AOTFWZQAVODQCL-RYUDHWBXSA-N 2 2 282.363 0.996 20 0 CCADLP C[NH+](C)CCC(=O)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001133294314 838591166 /nfs/dbraw/zinc/59/11/66/838591166.db2.gz CASYMVRBZMZSLN-UHFFFAOYSA-N 2 2 281.360 0.105 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)[nH]1 ZINC001133846104 838747614 /nfs/dbraw/zinc/74/76/14/838747614.db2.gz UFKBLNYHPNHTGX-GHMZBOCLSA-N 2 2 294.403 0.222 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)C[N@H+]2CC[C@@H](C)C2)[nH]1 ZINC001133846104 838747622 /nfs/dbraw/zinc/74/76/22/838747622.db2.gz UFKBLNYHPNHTGX-GHMZBOCLSA-N 2 2 294.403 0.222 20 0 CCADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C[NH2+]CCO ZINC001185214850 844365032 /nfs/dbraw/zinc/36/50/32/844365032.db2.gz IMUYYWMZYPDKOT-RYUDHWBXSA-N 2 2 280.372 0.019 20 0 CCADLP Cc1nc(CC[NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)cs1 ZINC001134393025 838964572 /nfs/dbraw/zinc/96/45/72/838964572.db2.gz GLSFFNGDELMPNJ-UHFFFAOYSA-N 2 2 293.396 0.666 20 0 CCADLP C[C@H]1CC[C@@H](C[NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)O1 ZINC001134393652 838964722 /nfs/dbraw/zinc/96/47/22/838964722.db2.gz QTTPWEOXTWUMQQ-JQWIXIFHSA-N 2 2 266.345 0.226 20 0 CCADLP CC(C)OCC[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134396881 838966467 /nfs/dbraw/zinc/96/64/67/838966467.db2.gz HDJZBTIVWKMGMC-UHFFFAOYSA-N 2 2 254.334 0.083 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CCc1cccs1 ZINC001134396882 838966750 /nfs/dbraw/zinc/96/67/50/838966750.db2.gz HFCNJMSOULCCQV-UHFFFAOYSA-N 2 2 278.381 0.962 20 0 CCADLP COCCCC[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001134517836 839001258 /nfs/dbraw/zinc/00/12/58/839001258.db2.gz UEFBJAGXRPTYNF-ZDUSSCGKSA-N 2 2 282.388 0.967 20 0 CCADLP COCCCC[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001134517835 839001577 /nfs/dbraw/zinc/00/15/77/839001577.db2.gz UEFBJAGXRPTYNF-CYBMUJFWSA-N 2 2 282.388 0.967 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCO ZINC001134732799 839065584 /nfs/dbraw/zinc/06/55/84/839065584.db2.gz OGTSBMZWMJYJFT-VXGBXAGGSA-N 2 2 295.383 0.498 20 0 CCADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001134767274 839067907 /nfs/dbraw/zinc/06/79/07/839067907.db2.gz UYNLOEXPQMWQRD-ZDUSSCGKSA-N 2 2 295.387 0.538 20 0 CCADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001134767274 839067916 /nfs/dbraw/zinc/06/79/16/839067916.db2.gz UYNLOEXPQMWQRD-ZDUSSCGKSA-N 2 2 295.387 0.538 20 0 CCADLP COC(=O)c1cc2[nH+]c[nH]c2c(N[C@@H]2C[NH2+]C[C@H]2CO)c1 ZINC001170778260 839108049 /nfs/dbraw/zinc/10/80/49/839108049.db2.gz GDLJDERVKNOJFE-JOYOIKCWSA-N 2 2 290.323 0.342 20 0 CCADLP OC[C@H]1C[NH2+]C[C@H]1Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC001170779277 839115190 /nfs/dbraw/zinc/11/51/90/839115190.db2.gz XFNITQPQJNYXAT-CHWSQXEVSA-N 2 2 273.340 0.319 20 0 CCADLP COc1c(C)[nH+]c(C2CC2)nc1N[C@H]1C[NH2+]C[C@H]1CO ZINC001170780774 839117289 /nfs/dbraw/zinc/11/72/89/839117289.db2.gz VHSYGSDCRNCRLI-QWRGUYRKSA-N 2 2 278.356 0.663 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]C[C@@H]1CCOC1 ZINC001135072422 839151892 /nfs/dbraw/zinc/15/18/92/839151892.db2.gz VVFXQDLYLCXPQP-RYUDHWBXSA-N 2 2 280.372 0.331 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]C[C@@H]1CCOC1 ZINC001135072422 839151894 /nfs/dbraw/zinc/15/18/94/839151894.db2.gz VVFXQDLYLCXPQP-RYUDHWBXSA-N 2 2 280.372 0.331 20 0 CCADLP O=C(NCC[NH2+]Cc1cnon1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001135102670 839161702 /nfs/dbraw/zinc/16/17/02/839161702.db2.gz KQUGXUABBFLLFS-QWHCGFSZSA-N 2 2 293.371 0.292 20 0 CCADLP O=C(NCC[NH2+]Cc1cnon1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135102670 839161708 /nfs/dbraw/zinc/16/17/08/839161708.db2.gz KQUGXUABBFLLFS-QWHCGFSZSA-N 2 2 293.371 0.292 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([N@@H+](CCO)CCF)CC1 ZINC001098488369 839238184 /nfs/dbraw/zinc/23/81/84/839238184.db2.gz UDFBZXXQPNGLLQ-UHFFFAOYSA-N 2 2 298.362 0.207 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC001135511206 839279390 /nfs/dbraw/zinc/27/93/90/839279390.db2.gz LWBUPXNHMAQZQK-JTQLQIEISA-N 2 2 282.392 0.222 20 0 CCADLP COCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135553163 839293084 /nfs/dbraw/zinc/29/30/84/839293084.db2.gz QQRVFPMZLZQELW-GHMZBOCLSA-N 2 2 268.361 0.472 20 0 CCADLP Cc1cc(C[NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)sn1 ZINC001135757428 839393014 /nfs/dbraw/zinc/39/30/14/839393014.db2.gz CHZJFAYZECPZBW-UHFFFAOYSA-N 2 2 279.369 0.623 20 0 CCADLP CC[C@@]([NH3+])(CO)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC001170860796 839448492 /nfs/dbraw/zinc/44/84/92/839448492.db2.gz ZKXXUTBJMYLTBZ-ZDUSSCGKSA-N 2 2 261.329 0.796 20 0 CCADLP CC[C@]([NH3+])(CO)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC001170860795 839449687 /nfs/dbraw/zinc/44/96/87/839449687.db2.gz ZKXXUTBJMYLTBZ-CYBMUJFWSA-N 2 2 261.329 0.796 20 0 CCADLP COCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001135945186 839475407 /nfs/dbraw/zinc/47/54/07/839475407.db2.gz WGTAHLVBLLSRRV-NEPJUHHUSA-N 2 2 282.388 0.482 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H](N[C@H]2CC[C@H](C)[NH2+]C2)C[NH2+]1 ZINC001246086753 839601785 /nfs/dbraw/zinc/60/17/85/839601785.db2.gz VUHAQCACBFUGOC-ZJQBRPOHSA-N 2 2 269.389 0.400 20 0 CCADLP O=C(NCC[NH2+][C@H]1CCC[NH2+]C1)c1ccc(Cl)cn1 ZINC001246284625 839761146 /nfs/dbraw/zinc/76/11/46/839761146.db2.gz BTZVEAJLFAVKJK-NSHDSACASA-N 2 2 282.775 0.806 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](C(C)C)C[C@@H]1O ZINC001090766028 839789505 /nfs/dbraw/zinc/78/95/05/839789505.db2.gz ZWLMHHOWMDYELI-AAEUAGOBSA-N 2 2 280.372 0.220 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](C(C)C)C[C@@H]1O ZINC001090766028 839789513 /nfs/dbraw/zinc/78/95/13/839789513.db2.gz ZWLMHHOWMDYELI-AAEUAGOBSA-N 2 2 280.372 0.220 20 0 CCADLP CCCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](O)C1 ZINC001090765145 839791841 /nfs/dbraw/zinc/79/18/41/839791841.db2.gz VHKVEULJCRUOBE-TZMCWYRMSA-N 2 2 294.399 0.612 20 0 CCADLP CCCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](O)C1 ZINC001090765145 839791848 /nfs/dbraw/zinc/79/18/48/839791848.db2.gz VHKVEULJCRUOBE-TZMCWYRMSA-N 2 2 294.399 0.612 20 0 CCADLP CC(C)C[C@H](C(=O)NCCC[NH2+]C[C@@H](C)O)n1cc[nH+]c1 ZINC001160528774 839980379 /nfs/dbraw/zinc/98/03/79/839980379.db2.gz UWXFPELYIJWBKW-ZIAGYGMSSA-N 2 2 296.415 0.947 20 0 CCADLP CCOC(=O)[C@@H]1CCCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001160583409 840029034 /nfs/dbraw/zinc/02/90/34/840029034.db2.gz XLEOJOZKZCOPAE-RYUDHWBXSA-N 2 2 294.355 0.224 20 0 CCADLP O=C(NCC1CC([NH2+]CCF)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001091078705 840038716 /nfs/dbraw/zinc/03/87/16/840038716.db2.gz IIUQJWNLCLPSSM-KIDURHIOSA-N 2 2 280.347 0.967 20 0 CCADLP O=C(NCC1CC([NH2+]CCF)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001091078705 840038726 /nfs/dbraw/zinc/03/87/26/840038726.db2.gz IIUQJWNLCLPSSM-KIDURHIOSA-N 2 2 280.347 0.967 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]CC[C@H]1CCOC1 ZINC001171236800 840173487 /nfs/dbraw/zinc/17/34/87/840173487.db2.gz CVSPBOYROGBJNI-ZDUSSCGKSA-N 2 2 294.399 0.485 20 0 CCADLP C[C@H](C[C@@H](C)[NH2+]Cc1ccon1)NC(=O)Cn1cc[nH+]c1 ZINC001146773332 840362130 /nfs/dbraw/zinc/36/21/30/840362130.db2.gz WUQOJOCMLNZYNL-VXGBXAGGSA-N 2 2 291.355 0.944 20 0 CCADLP Cc1cnc([C@H](C)[NH2+]CCNC(=O)COCC[NH+](C)C)o1 ZINC001147847907 840699026 /nfs/dbraw/zinc/69/90/26/840699026.db2.gz ABIBOCQNBNXORT-LBPRGKRZSA-N 2 2 298.387 0.328 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)C[C@H]2CC[N@H+](C)C2)o1 ZINC001147894164 840707350 /nfs/dbraw/zinc/70/73/50/840707350.db2.gz ZUXMSQIGRUFHCO-CMPLNLGQSA-N 2 2 295.387 0.487 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)C[C@H]2CC[N@@H+](C)C2)o1 ZINC001147894164 840707356 /nfs/dbraw/zinc/70/73/56/840707356.db2.gz ZUXMSQIGRUFHCO-CMPLNLGQSA-N 2 2 295.387 0.487 20 0 CCADLP CC(C)OCCC[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147877616 840710512 /nfs/dbraw/zinc/71/05/12/840710512.db2.gz MRXGOHDSLUMGMN-UHFFFAOYSA-N 2 2 282.388 0.484 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)o1 ZINC001147877880 840710589 /nfs/dbraw/zinc/71/05/89/840710589.db2.gz OPWOTYGKUKXYMB-LBPRGKRZSA-N 2 2 280.372 0.531 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)C[C@@H]2CC[N@H+](C)C2)o1 ZINC001147877880 840710595 /nfs/dbraw/zinc/71/05/95/840710595.db2.gz OPWOTYGKUKXYMB-LBPRGKRZSA-N 2 2 280.372 0.531 20 0 CCADLP C[NH+](C)CCCCC(=O)NCC[NH2+]Cc1csnn1 ZINC001148359938 840792428 /nfs/dbraw/zinc/79/24/28/840792428.db2.gz HNGSFJZDOSYSOT-UHFFFAOYSA-N 2 2 285.417 0.476 20 0 CCADLP COC(=O)[C@]1([NH3+])CCN(C(=O)[C@]2(C(C)C)CCC[NH2+]C2)C1 ZINC001161139432 840875791 /nfs/dbraw/zinc/87/57/91/840875791.db2.gz TXMJNGIUMCBEMV-CABCVRRESA-N 2 2 297.399 0.115 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2C[N@H+](CCF)C[C@@]2(C)C1 ZINC001092199867 841001215 /nfs/dbraw/zinc/00/12/15/841001215.db2.gz SGXGEPMCQXCDES-DOMZBBRYSA-N 2 2 294.374 0.712 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2C[N@@H+](CCF)C[C@@]2(C)C1 ZINC001092199867 841001223 /nfs/dbraw/zinc/00/12/23/841001223.db2.gz SGXGEPMCQXCDES-DOMZBBRYSA-N 2 2 294.374 0.712 20 0 CCADLP CN(C)S(=O)(=O)CCC[N@@H+]1CC[NH2+]CCC1(C)C ZINC000712587025 841097962 /nfs/dbraw/zinc/09/79/62/841097962.db2.gz FVEFPOXKIBCSOL-UHFFFAOYSA-N 2 2 277.434 0.342 20 0 CCADLP CN(C)S(=O)(=O)CCC[N@H+]1CC[NH2+]CCC1(C)C ZINC000712587025 841097975 /nfs/dbraw/zinc/09/79/75/841097975.db2.gz FVEFPOXKIBCSOL-UHFFFAOYSA-N 2 2 277.434 0.342 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC[C@H]1CCCS1(=O)=O ZINC000714329158 841192561 /nfs/dbraw/zinc/19/25/61/841192561.db2.gz ZGEPTUUDZBHEQK-JHJVBQTASA-N 2 2 290.429 0.310 20 0 CCADLP Cc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[NH+](C)C)cc[nH+]1 ZINC001093341999 841223850 /nfs/dbraw/zinc/22/38/50/841223850.db2.gz LOLMHEVNXBKPKY-JYAVWHMHSA-N 2 2 289.383 0.288 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2[C@@H](CC[N@H+]2CCCO)C1 ZINC001036910775 841689044 /nfs/dbraw/zinc/68/90/44/841689044.db2.gz YZYLNGASWOFPQI-KBPBESRZSA-N 2 2 292.383 0.188 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2[C@@H](CC[N@@H+]2CCCO)C1 ZINC001036910775 841689055 /nfs/dbraw/zinc/68/90/55/841689055.db2.gz YZYLNGASWOFPQI-KBPBESRZSA-N 2 2 292.383 0.188 20 0 CCADLP Cc1nc(NCCCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)cc[nH+]1 ZINC001094796334 841725452 /nfs/dbraw/zinc/72/54/52/841725452.db2.gz JTJIEUVLXJTOCX-YPMHNXCESA-N 2 2 291.399 0.901 20 0 CCADLP Cc1nc(NCCCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)cc[nH+]1 ZINC001094796334 841725455 /nfs/dbraw/zinc/72/54/55/841725455.db2.gz JTJIEUVLXJTOCX-YPMHNXCESA-N 2 2 291.399 0.901 20 0 CCADLP CCN1CC[C@H]([NH2+][C@H](CCCC[NH3+])C(=O)OC)CC1=O ZINC001172029711 841807412 /nfs/dbraw/zinc/80/74/12/841807412.db2.gz TUJYLTUOJMCLED-NWDGAFQWSA-N 2 2 285.388 0.258 20 0 CCADLP COCCC[NH+]1CCC([N@@H+]2CC[C@@](F)(CO)C2)CC1 ZINC001172252699 841912527 /nfs/dbraw/zinc/91/25/27/841912527.db2.gz RQQFRNOYTOYGPU-AWEZNQCLSA-N 2 2 274.380 0.894 20 0 CCADLP COCCC[NH+]1CCC([N@H+]2CC[C@@](F)(CO)C2)CC1 ZINC001172252699 841912536 /nfs/dbraw/zinc/91/25/36/841912536.db2.gz RQQFRNOYTOYGPU-AWEZNQCLSA-N 2 2 274.380 0.894 20 0 CCADLP COCCC[NH+]1CCC([N@@H+]2C[C@@H](F)C[C@H]2CO)CC1 ZINC001172251966 841912553 /nfs/dbraw/zinc/91/25/53/841912553.db2.gz DVVVDKGSQYGJQA-JSGCOSHPSA-N 2 2 274.380 0.892 20 0 CCADLP COCCC[NH+]1CCC([N@H+]2C[C@@H](F)C[C@H]2CO)CC1 ZINC001172251966 841912560 /nfs/dbraw/zinc/91/25/60/841912560.db2.gz DVVVDKGSQYGJQA-JSGCOSHPSA-N 2 2 274.380 0.892 20 0 CCADLP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@@H](C(=O)OC)C1 ZINC001172594080 841938847 /nfs/dbraw/zinc/93/88/47/841938847.db2.gz KIQXGVFJQBHZHJ-IJLUTSLNSA-N 2 2 286.372 0.588 20 0 CCADLP CO[C@@H]1CCC[C@@H](NC(=[NH2+])N2CC[NH+](C)CC2)C1 ZINC001172917026 841983070 /nfs/dbraw/zinc/98/30/70/841983070.db2.gz DIDXLLDQIQAPBD-VXGBXAGGSA-N 2 2 254.378 0.716 20 0 CCADLP COC(=O)CCCC[C@@H](C)NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001173452819 842089335 /nfs/dbraw/zinc/08/93/35/842089335.db2.gz JOKAARNIBXNJLF-GFCCVEGCSA-N 2 2 284.404 0.880 20 0 CCADLP Cn1cc[nH+]c1CC[NH2+][C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173755586 842150121 /nfs/dbraw/zinc/15/01/21/842150121.db2.gz ZUMOSXPAMICRTK-VXGBXAGGSA-N 2 2 275.360 0.723 20 0 CCADLP Cc1cc(C[NH2+]CCCNC(=O)Cc2[nH]c[nH+]c2C)on1 ZINC001174684090 842200963 /nfs/dbraw/zinc/20/09/63/842200963.db2.gz YWZMNCJVMXTHHQ-UHFFFAOYSA-N 2 2 291.355 0.853 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCCC[NH2+]CC(N)=O ZINC001176351181 842361868 /nfs/dbraw/zinc/36/18/68/842361868.db2.gz QOANFYMYICYWLJ-SNVBAGLBSA-N 2 2 295.387 0.011 20 0 CCADLP C[NH+]1CCN(c2ccc(Nc3c[nH+]ncc3N)cn2)CC1 ZINC001176654780 842401945 /nfs/dbraw/zinc/40/19/45/842401945.db2.gz UBBQJKPOGPSBGT-UHFFFAOYSA-N 2 2 285.355 0.949 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001176832056 842418887 /nfs/dbraw/zinc/41/88/87/842418887.db2.gz GIYRPPRSVSWNJI-ZDUSSCGKSA-N 2 2 278.356 0.275 20 0 CCADLP C[N@H+](C1CN(C(=O)CCn2cc[nH+]c2)C1)[C@H]1CCOC1 ZINC001176878189 842438256 /nfs/dbraw/zinc/43/82/56/842438256.db2.gz FVZNGXSNUTWRRB-LBPRGKRZSA-N 2 2 278.356 0.205 20 0 CCADLP C[N@@H+](C1CN(C(=O)CCn2cc[nH+]c2)C1)[C@H]1CCOC1 ZINC001176878189 842438262 /nfs/dbraw/zinc/43/82/62/842438262.db2.gz FVZNGXSNUTWRRB-LBPRGKRZSA-N 2 2 278.356 0.205 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]Cc1cncc(F)c1 ZINC001177401556 842574733 /nfs/dbraw/zinc/57/47/33/842574733.db2.gz VRGVPYPAYGTBPW-UHFFFAOYSA-N 2 2 291.330 0.713 20 0 CCADLP C[C@H]1C[C@H](C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)CCO1 ZINC001177404817 842579069 /nfs/dbraw/zinc/57/90/69/842579069.db2.gz HILRCTRSHQAOFX-UONOGXRCSA-N 2 2 294.399 0.794 20 0 CCADLP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001177997849 842721574 /nfs/dbraw/zinc/72/15/74/842721574.db2.gz KGBVBDQMXZNXLU-BXUZGUMPSA-N 2 2 262.357 0.752 20 0 CCADLP C[N@@H+]1CCCN(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001177998680 842722549 /nfs/dbraw/zinc/72/25/49/842722549.db2.gz YIQQYMQYLRAHNT-UHFFFAOYSA-N 2 2 279.388 0.096 20 0 CCADLP C[N@H+]1CCCN(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001177998680 842722558 /nfs/dbraw/zinc/72/25/58/842722558.db2.gz YIQQYMQYLRAHNT-UHFFFAOYSA-N 2 2 279.388 0.096 20 0 CCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N(c1ncccn1)C1C[NH2+]C1 ZINC001178105378 842758895 /nfs/dbraw/zinc/75/88/95/842758895.db2.gz SSGRKUBSZYCYAK-NSHDSACASA-N 2 2 298.350 0.241 20 0 CCADLP COCCCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC001179783420 843050569 /nfs/dbraw/zinc/05/05/69/843050569.db2.gz NXYLHXMPOKKMDK-STQMWFEESA-N 2 2 294.399 0.958 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001179929423 843082767 /nfs/dbraw/zinc/08/27/67/843082767.db2.gz NBIZHLBGEHAGSX-DYEKYZERSA-N 2 2 294.399 0.577 20 0 CCADLP CCOCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001180288507 843142091 /nfs/dbraw/zinc/14/20/91/843142091.db2.gz YUPQUPJAGAENOT-STQMWFEESA-N 2 2 280.372 0.499 20 0 CCADLP Cc1[nH]c2c([nH+]1)CCN(C(=O)[C@H](C)[NH+](C)C)CC2 ZINC001180860740 843327101 /nfs/dbraw/zinc/32/71/01/843327101.db2.gz JTWOHXMVOGIXOR-VIFPVBQESA-N 2 2 250.346 0.595 20 0 CCADLP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)Cc1cc[nH+]c(N)c1 ZINC001181277603 843440314 /nfs/dbraw/zinc/44/03/14/843440314.db2.gz YTBRLWVDTZTRME-UHFFFAOYSA-N 3 2 292.387 0.270 20 0 CCADLP C[N@H+]1CCC[C@@](C)(NC(=O)Cc2cc[nH+]c(N)c2)C1 ZINC001181276638 843440685 /nfs/dbraw/zinc/44/06/85/843440685.db2.gz GBPKHFONUFOVMN-CQSZACIVSA-N 2 2 262.357 0.807 20 0 CCADLP C[N@@H+]1CCC[C@@](C)(NC(=O)Cc2cc[nH+]c(N)c2)C1 ZINC001181276638 843440680 /nfs/dbraw/zinc/44/06/80/843440680.db2.gz GBPKHFONUFOVMN-CQSZACIVSA-N 2 2 262.357 0.807 20 0 CCADLP COc1cc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)ccc1F ZINC001206463897 843623056 /nfs/dbraw/zinc/62/30/56/843623056.db2.gz GDYXPRLPYIANOH-CMPLNLGQSA-N 2 2 254.305 0.586 20 0 CCADLP COc1cc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)ccc1F ZINC001206463897 843623059 /nfs/dbraw/zinc/62/30/59/843623059.db2.gz GDYXPRLPYIANOH-CMPLNLGQSA-N 2 2 254.305 0.586 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001151066566 843629129 /nfs/dbraw/zinc/62/91/29/843629129.db2.gz WKSAHYOMXKBYGC-KOLCDFICSA-N 2 2 281.360 0.097 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001151066566 843629132 /nfs/dbraw/zinc/62/91/32/843629132.db2.gz WKSAHYOMXKBYGC-KOLCDFICSA-N 2 2 281.360 0.097 20 0 CCADLP C[NH+]1CCC(O)(C(=O)Nc2cc[nH+]c3c2CCC3)CC1 ZINC001182028590 843681191 /nfs/dbraw/zinc/68/11/91/843681191.db2.gz WPPJBGTXEAUICE-UHFFFAOYSA-N 2 2 275.352 0.387 20 0 CCADLP Cc1cccc2ncc(C[N@@H+]3C[C@H](O)[C@@H](C[NH3+])C3)n21 ZINC001206512898 843823398 /nfs/dbraw/zinc/82/33/98/843823398.db2.gz VUYYGQFTFBDQFC-AAEUAGOBSA-N 2 2 260.341 0.394 20 0 CCADLP Cc1cccc2ncc(C[N@H+]3C[C@H](O)[C@@H](C[NH3+])C3)n21 ZINC001206512898 843823410 /nfs/dbraw/zinc/82/34/10/843823410.db2.gz VUYYGQFTFBDQFC-AAEUAGOBSA-N 2 2 260.341 0.394 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001187091217 844649399 /nfs/dbraw/zinc/64/93/99/844649399.db2.gz HWARPXGSURWDGK-NWDGAFQWSA-N 2 2 294.399 0.913 20 0 CCADLP C[C@H](F)CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001187091141 844649834 /nfs/dbraw/zinc/64/98/34/844649834.db2.gz GKJSIOBXBCVURW-NWDGAFQWSA-N 2 2 282.363 0.901 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001187420196 844721241 /nfs/dbraw/zinc/72/12/41/844721241.db2.gz FDWJRWIWFKIUEK-ZYHUDNBSSA-N 2 2 280.372 0.486 20 0 CCADLP [NH3+]CC1(NC(=O)c2ccccc2-n2cc[nH+]c2)COC1 ZINC001190107325 845323913 /nfs/dbraw/zinc/32/39/13/845323913.db2.gz QAWAWSDLTNJSLB-UHFFFAOYSA-N 2 2 272.308 0.330 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)O1 ZINC001205545325 845541288 /nfs/dbraw/zinc/54/12/88/845541288.db2.gz DFXKZXGTOPMOBE-AAEUAGOBSA-N 3 2 259.369 0.864 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)O1 ZINC001205545325 845541291 /nfs/dbraw/zinc/54/12/91/845541291.db2.gz DFXKZXGTOPMOBE-AAEUAGOBSA-N 3 2 259.369 0.864 20 0 CCADLP C[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)Cc2ccon2)C1 ZINC001192152088 845795169 /nfs/dbraw/zinc/79/51/69/845795169.db2.gz DSUZQXKBNPOPFP-ZDUSSCGKSA-N 2 2 280.372 0.659 20 0 CCADLP C[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccon2)C1 ZINC001192152088 845795172 /nfs/dbraw/zinc/79/51/72/845795172.db2.gz DSUZQXKBNPOPFP-ZDUSSCGKSA-N 2 2 280.372 0.659 20 0 CCADLP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1cc(F)c(O)cc1F ZINC001192876530 845919503 /nfs/dbraw/zinc/91/95/03/845919503.db2.gz LINVQVMQLLMOSW-UHFFFAOYSA-N 2 2 286.282 0.745 20 0 CCADLP CO[C@H](C)C[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194448449 846302042 /nfs/dbraw/zinc/30/20/42/846302042.db2.gz FVEUUPSAQSPDRZ-OLZOCXBDSA-N 2 2 280.372 0.451 20 0 CCADLP CO[C@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194448449 846302050 /nfs/dbraw/zinc/30/20/50/846302050.db2.gz FVEUUPSAQSPDRZ-OLZOCXBDSA-N 2 2 280.372 0.451 20 0 CCADLP COCC[N@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194448427 846304019 /nfs/dbraw/zinc/30/40/19/846304019.db2.gz FPQSDEPKMYBHHP-CQSZACIVSA-N 2 2 294.399 0.842 20 0 CCADLP COCC[N@@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194448427 846304025 /nfs/dbraw/zinc/30/40/25/846304025.db2.gz FPQSDEPKMYBHHP-CQSZACIVSA-N 2 2 294.399 0.842 20 0 CCADLP C[C@H](CC(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O)n1cc[nH+]c1 ZINC001196501363 846767026 /nfs/dbraw/zinc/76/70/26/846767026.db2.gz XPRDQIXBFXUWCR-MRVWCRGKSA-N 2 2 292.383 0.406 20 0 CCADLP C[C@H](CC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O)n1cc[nH+]c1 ZINC001196501363 846767036 /nfs/dbraw/zinc/76/70/36/846767036.db2.gz XPRDQIXBFXUWCR-MRVWCRGKSA-N 2 2 292.383 0.406 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)C[N@H+](C)C(C)C)o1 ZINC001152439154 847088860 /nfs/dbraw/zinc/08/88/60/847088860.db2.gz AWZHRVZCRONESW-UHFFFAOYSA-N 2 2 283.376 0.178 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C)o1 ZINC001152439154 847088865 /nfs/dbraw/zinc/08/88/65/847088865.db2.gz AWZHRVZCRONESW-UHFFFAOYSA-N 2 2 283.376 0.178 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC001114384870 848031283 /nfs/dbraw/zinc/03/12/83/848031283.db2.gz ROODZUAZHKPFHU-NHAGDIPZSA-N 2 2 274.368 0.799 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC001114384870 848031293 /nfs/dbraw/zinc/03/12/93/848031293.db2.gz ROODZUAZHKPFHU-NHAGDIPZSA-N 2 2 274.368 0.799 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC001114384870 848031299 /nfs/dbraw/zinc/03/12/99/848031299.db2.gz ROODZUAZHKPFHU-NHAGDIPZSA-N 2 2 274.368 0.799 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC001114384870 848031305 /nfs/dbraw/zinc/03/13/05/848031305.db2.gz ROODZUAZHKPFHU-NHAGDIPZSA-N 2 2 274.368 0.799 20 0 CCADLP COCC[NH2+][C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001274299136 848443898 /nfs/dbraw/zinc/44/38/98/848443898.db2.gz SXHYCWGGPAPZJN-KBPBESRZSA-N 2 2 294.399 0.746 20 0 CCADLP CC1([NH2+]CCCO)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001274345028 848457357 /nfs/dbraw/zinc/45/73/57/848457357.db2.gz MISZHKFJKQJSCN-UHFFFAOYSA-N 2 2 294.399 0.695 20 0 CCADLP CC1([NH2+]CCCO)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001274345028 848457364 /nfs/dbraw/zinc/45/73/64/848457364.db2.gz MISZHKFJKQJSCN-UHFFFAOYSA-N 2 2 294.399 0.695 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC/C=C/C[NH2+]C[C@H]1CCOC1 ZINC001274511336 848493093 /nfs/dbraw/zinc/49/30/93/848493093.db2.gz PJDBTLTXJKKVQQ-YWVDXFKGSA-N 2 2 292.383 0.261 20 0 CCADLP Cc1[nH]c(C[N@H+]2CCC[C@@]3(CC(=O)N(C)C3=O)C2)c[nH+]1 ZINC001274578070 848511106 /nfs/dbraw/zinc/51/11/06/848511106.db2.gz ROAWMUDJMLNYMA-CQSZACIVSA-N 2 2 276.340 0.689 20 0 CCADLP Cc1[nH]c(C[N@@H+]2CCC[C@@]3(CC(=O)N(C)C3=O)C2)c[nH+]1 ZINC001274578070 848511110 /nfs/dbraw/zinc/51/11/10/848511110.db2.gz ROAWMUDJMLNYMA-CQSZACIVSA-N 2 2 276.340 0.689 20 0 CCADLP c1cn(CCN2C[C@H]3C[C@@H](C2)[N@H+]3C[C@H]2CCOC2)c[nH+]1 ZINC001275172819 848655923 /nfs/dbraw/zinc/65/59/23/848655923.db2.gz WKCBITQDZYAMDG-KFWWJZLASA-N 2 2 276.384 0.678 20 0 CCADLP c1cn(CCN2C[C@H]3C[C@@H](C2)[N@@H+]3C[C@H]2CCOC2)c[nH+]1 ZINC001275172819 848655927 /nfs/dbraw/zinc/65/59/27/848655927.db2.gz WKCBITQDZYAMDG-KFWWJZLASA-N 2 2 276.384 0.678 20 0 CCADLP C[C@@H]1C[C@H]1C[N@H+]1C[C@H]2CN(CCn3cc[nH+]c3)C[C@@H](C1)O2 ZINC001276032924 848898119 /nfs/dbraw/zinc/89/81/19/848898119.db2.gz QPVYKWKYVIBOBW-QXSJWSMHSA-N 2 2 290.411 0.924 20 0 CCADLP C[C@@H]1C[C@H]1C[N@@H+]1C[C@H]2CN(CCn3cc[nH+]c3)C[C@@H](C1)O2 ZINC001276032924 848898130 /nfs/dbraw/zinc/89/81/30/848898130.db2.gz QPVYKWKYVIBOBW-QXSJWSMHSA-N 2 2 290.411 0.924 20 0 CCADLP C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO)n1cc[nH+]c1 ZINC001111077901 849066514 /nfs/dbraw/zinc/06/65/14/849066514.db2.gz BPTHJKKKUMIJIZ-DGAVXFQQSA-N 2 2 292.383 0.548 20 0 CCADLP C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO)n1cc[nH+]c1 ZINC001111077901 849066524 /nfs/dbraw/zinc/06/65/24/849066524.db2.gz BPTHJKKKUMIJIZ-DGAVXFQQSA-N 2 2 292.383 0.548 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)OCCC[NH+]1CCN(C)CC1 ZINC001206589917 849138081 /nfs/dbraw/zinc/13/80/81/849138081.db2.gz IFWVUBJDMFCLAP-HNNXBMFYSA-N 2 2 285.432 0.361 20 0 CCADLP CCS(=O)(=O)CC[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037904647 849278351 /nfs/dbraw/zinc/27/83/51/849278351.db2.gz NAZPYVXEWVUKPN-LLVKDONJSA-N 2 2 260.403 0.495 20 0 CCADLP CCS(=O)(=O)CC[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000037904647 849278358 /nfs/dbraw/zinc/27/83/58/849278358.db2.gz NAZPYVXEWVUKPN-LLVKDONJSA-N 2 2 260.403 0.495 20 0 CCADLP CCOC(=O)CC[C@H](C)[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001258486640 849363263 /nfs/dbraw/zinc/36/32/63/849363263.db2.gz KRJLLFCWSCZBMA-LBPRGKRZSA-N 2 2 272.389 0.765 20 0 CCADLP Cc1cc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)c(C)nn1 ZINC000720607312 849502607 /nfs/dbraw/zinc/50/26/07/849502607.db2.gz QQQOYRCPCPTVSJ-CYBMUJFWSA-N 2 2 250.346 0.643 20 0 CCADLP Cc1cc(C[N@H+]2CCCO[C@H](C[NH3+])C2)c(C)nn1 ZINC000720607312 849502611 /nfs/dbraw/zinc/50/26/11/849502611.db2.gz QQQOYRCPCPTVSJ-CYBMUJFWSA-N 2 2 250.346 0.643 20 0 CCADLP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720809944 849541446 /nfs/dbraw/zinc/54/14/46/849541446.db2.gz HFWDWFZJDMTGBS-COPLHBTASA-N 2 2 253.390 0.831 20 0 CCADLP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720809944 849541452 /nfs/dbraw/zinc/54/14/52/849541452.db2.gz HFWDWFZJDMTGBS-COPLHBTASA-N 2 2 253.390 0.831 20 0 CCADLP C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)n1cc[nH+]c1 ZINC001114901418 849604546 /nfs/dbraw/zinc/60/45/46/849604546.db2.gz JUBAHRCJWFBPHQ-CXTNEJHOSA-N 2 2 292.383 0.263 20 0 CCADLP C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)n1cc[nH+]c1 ZINC001114901418 849604550 /nfs/dbraw/zinc/60/45/50/849604550.db2.gz JUBAHRCJWFBPHQ-CXTNEJHOSA-N 2 2 292.383 0.263 20 0 CCADLP Cc1nocc1C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039006040 850115699 /nfs/dbraw/zinc/11/56/99/850115699.db2.gz JLAAKQMMDCRXQL-OCCSQVGLSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1nocc1C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001039006040 850115702 /nfs/dbraw/zinc/11/57/02/850115702.db2.gz JLAAKQMMDCRXQL-OCCSQVGLSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1nocc1C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039006040 850115705 /nfs/dbraw/zinc/11/57/05/850115705.db2.gz JLAAKQMMDCRXQL-OCCSQVGLSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1nocc1C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039006040 850115710 /nfs/dbraw/zinc/11/57/10/850115710.db2.gz JLAAKQMMDCRXQL-OCCSQVGLSA-N 2 2 292.383 0.625 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@]2(C1)CCC[N@@H+](CCO)C2 ZINC001040552813 850300708 /nfs/dbraw/zinc/30/07/08/850300708.db2.gz PGSUARBKINQNIN-OAHLLOKOSA-N 2 2 292.383 0.190 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@]2(C1)CCC[N@H+](CCO)C2 ZINC001040552813 850300714 /nfs/dbraw/zinc/30/07/14/850300714.db2.gz PGSUARBKINQNIN-OAHLLOKOSA-N 2 2 292.383 0.190 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001041856085 850512247 /nfs/dbraw/zinc/51/22/47/850512247.db2.gz YBVGBFWKXDZNJI-DZGCQCFKSA-N 2 2 292.383 0.188 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001041856085 850512261 /nfs/dbraw/zinc/51/22/61/850512261.db2.gz YBVGBFWKXDZNJI-DZGCQCFKSA-N 2 2 292.383 0.188 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001041856087 850513513 /nfs/dbraw/zinc/51/35/13/850513513.db2.gz YBVGBFWKXDZNJI-UKRRQHHQSA-N 2 2 292.383 0.188 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001041856087 850513526 /nfs/dbraw/zinc/51/35/26/850513526.db2.gz YBVGBFWKXDZNJI-UKRRQHHQSA-N 2 2 292.383 0.188 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001043070091 850806751 /nfs/dbraw/zinc/80/67/51/850806751.db2.gz IYHKJNXQUDHTRE-HIFRSBDPSA-N 2 2 295.427 0.792 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001043070091 850806755 /nfs/dbraw/zinc/80/67/55/850806755.db2.gz IYHKJNXQUDHTRE-HIFRSBDPSA-N 2 2 295.427 0.792 20 0 CCADLP CO[C@H](C)C[NH+]1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001043219381 850837406 /nfs/dbraw/zinc/83/74/06/850837406.db2.gz CZQAIVUQZOOLCY-CYBMUJFWSA-N 2 2 295.427 0.792 20 0 CCADLP CN(C(=O)C12CCC[NH+]1CCC2)C1C[NH+](CCCO)C1 ZINC001043219393 850837426 /nfs/dbraw/zinc/83/74/26/850837426.db2.gz DMXRDNWJUUIANI-UHFFFAOYSA-N 2 2 281.400 0.140 20 0 CCADLP COC[C@H](C)[NH+]1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001043875732 850954150 /nfs/dbraw/zinc/95/41/50/850954150.db2.gz MUUDVVWWELYRCA-OLZOCXBDSA-N 2 2 283.416 0.506 20 0 CCADLP COC[C@H](C)[NH+]1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001043875732 850954159 /nfs/dbraw/zinc/95/41/59/850954159.db2.gz MUUDVVWWELYRCA-OLZOCXBDSA-N 2 2 283.416 0.506 20 0 CCADLP C[C@@H](O)C[NH+]1CC(N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001044082339 851004597 /nfs/dbraw/zinc/00/45/97/851004597.db2.gz DGVRYCBRFZFMPT-CYBMUJFWSA-N 2 2 283.416 0.242 20 0 CCADLP CN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1C[NH+](CCO)C1 ZINC001044189102 851038437 /nfs/dbraw/zinc/03/84/37/851038437.db2.gz UFWNWGPLRUKUQU-STQMWFEESA-N 2 2 283.416 0.242 20 0 CCADLP CC[C@H](C)C[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001044317078 851074996 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C[N@@H+]1CCC[C@H]1C(=O)N[C@]1(C)CC[NH+](CCF)C1 ZINC001046197815 851418143 /nfs/dbraw/zinc/41/81/43/851418143.db2.gz QWWUIMHXDYLDJF-WCQYABFASA-N 2 2 257.353 0.631 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N[C@]1(C)CC[N@H+](CCF)C1 ZINC001046197815 851418155 /nfs/dbraw/zinc/41/81/55/851418155.db2.gz QWWUIMHXDYLDJF-WCQYABFASA-N 2 2 257.353 0.631 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N[C@]1(C)CC[N@@H+](CCF)C1 ZINC001046197815 851418160 /nfs/dbraw/zinc/41/81/60/851418160.db2.gz QWWUIMHXDYLDJF-WCQYABFASA-N 2 2 257.353 0.631 20 0 CCADLP CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001049390576 852254186 /nfs/dbraw/zinc/25/41/86/852254186.db2.gz BYULIAKSMFZBRN-KFWWJZLASA-N 2 2 295.427 0.792 20 0 CCADLP CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001049390576 852254195 /nfs/dbraw/zinc/25/41/95/852254195.db2.gz BYULIAKSMFZBRN-KFWWJZLASA-N 2 2 295.427 0.792 20 0 CCADLP CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001049390576 852254203 /nfs/dbraw/zinc/25/42/03/852254203.db2.gz BYULIAKSMFZBRN-KFWWJZLASA-N 2 2 295.427 0.792 20 0 CCADLP CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001049390576 852254216 /nfs/dbraw/zinc/25/42/16/852254216.db2.gz BYULIAKSMFZBRN-KFWWJZLASA-N 2 2 295.427 0.792 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCO ZINC001049622942 852321406 /nfs/dbraw/zinc/32/14/06/852321406.db2.gz AFCTWBZAQRCVLK-KGLIPLIRSA-N 2 2 292.383 0.331 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCO ZINC001049622942 852321409 /nfs/dbraw/zinc/32/14/09/852321409.db2.gz AFCTWBZAQRCVLK-KGLIPLIRSA-N 2 2 292.383 0.331 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049934525 852399697 /nfs/dbraw/zinc/39/96/97/852399697.db2.gz XNMAMBDNSGUPDN-MELADBBJSA-N 2 2 292.383 0.329 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049934525 852399702 /nfs/dbraw/zinc/39/97/02/852399702.db2.gz XNMAMBDNSGUPDN-MELADBBJSA-N 2 2 292.383 0.329 20 0 CCADLP CCCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCC[N@@H+]1C)CCO2 ZINC001053189939 852705275 /nfs/dbraw/zinc/70/52/75/852705275.db2.gz GVYRFBMJMMFRSL-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP CCCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCC[N@H+]1C)CCO2 ZINC001053189939 852705283 /nfs/dbraw/zinc/70/52/83/852705283.db2.gz GVYRFBMJMMFRSL-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)CCO2 ZINC001053429149 852742534 /nfs/dbraw/zinc/74/25/34/852742534.db2.gz HDGDNPUNAZDXQZ-QWHCGFSZSA-N 2 2 281.400 0.117 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)CCO2 ZINC001053429149 852742538 /nfs/dbraw/zinc/74/25/38/852742538.db2.gz HDGDNPUNAZDXQZ-QWHCGFSZSA-N 2 2 281.400 0.117 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)CO2 ZINC001053798911 852824486 /nfs/dbraw/zinc/82/44/86/852824486.db2.gz HABZFBHGBKVGNC-UONOGXRCSA-N 2 2 295.427 0.839 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)CO2 ZINC001053798911 852824488 /nfs/dbraw/zinc/82/44/88/852824488.db2.gz HABZFBHGBKVGNC-UONOGXRCSA-N 2 2 295.427 0.839 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1cc[nH+]c1C)CO2 ZINC001054007594 852867237 /nfs/dbraw/zinc/86/72/37/852867237.db2.gz IHVWHMTYCMLGMW-LBPRGKRZSA-N 2 2 278.356 0.171 20 0 CCADLP CC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001054950850 853042712 /nfs/dbraw/zinc/04/27/12/853042712.db2.gz GWAYGRYILKTKJU-NWDGAFQWSA-N 2 2 250.346 0.730 20 0 CCADLP C[NH2+]CCC1CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)CC1 ZINC000383811108 853081466 /nfs/dbraw/zinc/08/14/66/853081466.db2.gz BZPSLUHAYPONFU-HNNXBMFYSA-N 3 2 287.448 0.247 20 0 CCADLP C[NH2+]CCC1CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)CC1 ZINC000383811108 853081471 /nfs/dbraw/zinc/08/14/71/853081471.db2.gz BZPSLUHAYPONFU-HNNXBMFYSA-N 3 2 287.448 0.247 20 0 CCADLP COCC[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001050151918 853324791 /nfs/dbraw/zinc/32/47/91/853324791.db2.gz XMIWZKQWBAMXGK-GXTWGEPZSA-N 2 2 292.383 0.521 20 0 CCADLP COCC[N@H+]1C[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001050151918 853324798 /nfs/dbraw/zinc/32/47/98/853324798.db2.gz XMIWZKQWBAMXGK-GXTWGEPZSA-N 2 2 292.383 0.521 20 0 CCADLP CC(C)C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001050849547 853460143 /nfs/dbraw/zinc/46/01/43/853460143.db2.gz XCZBOOIUAOOJBA-UONOGXRCSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001050849547 853460149 /nfs/dbraw/zinc/46/01/49/853460149.db2.gz XCZBOOIUAOOJBA-UONOGXRCSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)C[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001050849547 853460151 /nfs/dbraw/zinc/46/01/51/853460151.db2.gz XCZBOOIUAOOJBA-UONOGXRCSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)C[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001050849547 853460153 /nfs/dbraw/zinc/46/01/53/853460153.db2.gz XCZBOOIUAOOJBA-UONOGXRCSA-N 2 2 283.416 0.554 20 0 CCADLP CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001051246358 853556007 /nfs/dbraw/zinc/55/60/07/853556007.db2.gz XWNOMZYBAWXICD-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001051246358 853556018 /nfs/dbraw/zinc/55/60/18/853556018.db2.gz XWNOMZYBAWXICD-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP CCC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001051246358 853556023 /nfs/dbraw/zinc/55/60/23/853556023.db2.gz XWNOMZYBAWXICD-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP CCC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001051246358 853556033 /nfs/dbraw/zinc/55/60/33/853556033.db2.gz XWNOMZYBAWXICD-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP CC(C)[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001051951519 853662459 /nfs/dbraw/zinc/66/24/59/853662459.db2.gz IQTAFBQGFNHYLY-GFCCVEGCSA-N 2 2 266.345 0.109 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)CC[N@@H+](C[C@@H](C)O)C2 ZINC001073151495 854538308 /nfs/dbraw/zinc/53/83/08/854538308.db2.gz NTBICCAJYVMZLT-LLVKDONJSA-N 2 2 292.383 0.176 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)CC[N@H+](C[C@@H](C)O)C2 ZINC001073151495 854538313 /nfs/dbraw/zinc/53/83/13/854538313.db2.gz NTBICCAJYVMZLT-LLVKDONJSA-N 2 2 292.383 0.176 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@H]1C ZINC001075076318 854811324 /nfs/dbraw/zinc/81/13/24/854811324.db2.gz LVYLWCLYAKKXID-OBJOEFQTSA-N 2 2 294.399 0.313 20 0 CCADLP CCCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001099872703 855014521 /nfs/dbraw/zinc/01/45/21/855014521.db2.gz YPUQTESJFJXITA-ZIAGYGMSSA-N 2 2 294.399 0.694 20 0 CCADLP CCCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001099872703 855014532 /nfs/dbraw/zinc/01/45/32/855014532.db2.gz YPUQTESJFJXITA-ZIAGYGMSSA-N 2 2 294.399 0.694 20 0 CCADLP CCCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](O)C1 ZINC001099872703 855014543 /nfs/dbraw/zinc/01/45/43/855014543.db2.gz YPUQTESJFJXITA-ZIAGYGMSSA-N 2 2 294.399 0.694 20 0 CCADLP CCCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](O)C1 ZINC001099872703 855014547 /nfs/dbraw/zinc/01/45/47/855014547.db2.gz YPUQTESJFJXITA-ZIAGYGMSSA-N 2 2 294.399 0.694 20 0 CCADLP CCCC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099940369 855039868 /nfs/dbraw/zinc/03/98/68/855039868.db2.gz UKKFXFQXXSUBMJ-KBPBESRZSA-N 2 2 294.399 0.625 20 0 CCADLP CCCC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099940369 855039876 /nfs/dbraw/zinc/03/98/76/855039876.db2.gz UKKFXFQXXSUBMJ-KBPBESRZSA-N 2 2 294.399 0.625 20 0 CCADLP Cc1nc(N(C)CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)cc[nH+]1 ZINC001100326675 855147970 /nfs/dbraw/zinc/14/79/70/855147970.db2.gz HPRKVPSMTRXQQA-DGCLKSJQSA-N 2 2 291.399 0.535 20 0 CCADLP Cc1nc(N(C)CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)cc[nH+]1 ZINC001100326675 855147978 /nfs/dbraw/zinc/14/79/78/855147978.db2.gz HPRKVPSMTRXQQA-DGCLKSJQSA-N 2 2 291.399 0.535 20 0 CCADLP CO[C@@H](C)C[NH2+]C1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001100710527 855212946 /nfs/dbraw/zinc/21/29/46/855212946.db2.gz VTKMRGMMIBCPLE-UNXYVOJBSA-N 2 2 280.372 0.472 20 0 CCADLP CCOC(=O)C1=C(O)CC[N@@H+](C2CC[NH+](C)CC2)CC1 ZINC001256207334 855221578 /nfs/dbraw/zinc/22/15/78/855221578.db2.gz IOEGZBYTGOVXKP-CYBMUJFWSA-N 2 2 282.384 0.925 20 0 CCADLP CCOC(=O)C1=C(O)CC[N@H+](C2CC[NH+](C)CC2)CC1 ZINC001256207334 855221585 /nfs/dbraw/zinc/22/15/85/855221585.db2.gz IOEGZBYTGOVXKP-CYBMUJFWSA-N 2 2 282.384 0.925 20 0 CCADLP COC[C@@H](C)[NH2+]C1CC(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001100871353 855233940 /nfs/dbraw/zinc/23/39/40/855233940.db2.gz NRVFTLYCZVPUML-PNESKVBLSA-N 2 2 294.399 0.482 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1CC([NH2+]CCCF)C1 ZINC001101071613 855259673 /nfs/dbraw/zinc/25/96/73/855259673.db2.gz QQGPFOOHPZSANY-UHFFFAOYSA-N 2 2 268.336 0.727 20 0 CCADLP CC[C@@H](C(=O)N(C)CCNc1cc[nH+]c(C)n1)[NH+](C)C ZINC001101706854 855346978 /nfs/dbraw/zinc/34/69/78/855346978.db2.gz RQNMDYNQUXAVAQ-LBPRGKRZSA-N 2 2 279.388 0.996 20 0 CCADLP Cc1nc(N2CC[C@@H](N(C)C(=O)CC[NH+](C)C)C2)cc[nH+]1 ZINC001102757825 855469123 /nfs/dbraw/zinc/46/91/23/855469123.db2.gz QGPWPSXEXBXTCP-CYBMUJFWSA-N 2 2 291.399 0.774 20 0 CCADLP C[C@@H]1C[N@H+](CCCO)C[C@H]1CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001103574455 855523209 /nfs/dbraw/zinc/52/32/09/855523209.db2.gz QMSROLBQGGATNP-CHWSQXEVSA-N 2 2 294.399 0.409 20 0 CCADLP C[C@@H]1C[N@@H+](CCCO)C[C@H]1CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001103574455 855523213 /nfs/dbraw/zinc/52/32/13/855523213.db2.gz QMSROLBQGGATNP-CHWSQXEVSA-N 2 2 294.399 0.409 20 0 CCADLP CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC001115121029 855642794 /nfs/dbraw/zinc/64/27/94/855642794.db2.gz KFNZPABRYMVCMY-NHAGDIPZSA-N 2 2 292.383 0.046 20 0 CCADLP CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC001115121029 855642796 /nfs/dbraw/zinc/64/27/96/855642796.db2.gz KFNZPABRYMVCMY-NHAGDIPZSA-N 2 2 292.383 0.046 20 0 CCADLP CC(=O)NC1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC001116404802 855760468 /nfs/dbraw/zinc/76/04/68/855760468.db2.gz OESNINSQUVTVPE-UHFFFAOYSA-N 2 2 250.346 0.792 20 0 CCADLP Cn1ccnc1C[N@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC001120362411 857046806 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20 0 CCADLP C[N@@H+](CCNC(=O)CCn1cc[nH+]c1)C[C@H]1CCCCO1 ZINC001480896521 891705818 /nfs/dbraw/zinc/70/58/18/891705818.db2.gz CLZFGLHHVBGTPF-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP CN(CC[NH2+]CC[C@@H]1CCCO1)C(=O)Cc1[nH]cc[nH+]1 ZINC001481295628 892542578 /nfs/dbraw/zinc/54/25/78/892542578.db2.gz YXBFQOHUCJKPPI-LBPRGKRZSA-N 2 2 280.372 0.569 20 0 CCADLP CC[NH+]1CCN(CCN(C)C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001481471610 892716289 /nfs/dbraw/zinc/71/62/89/892716289.db2.gz CAMXJCAJNCPTGX-UHFFFAOYSA-N 2 2 293.415 0.357 20 0 CCADLP CCOCC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001481753965 893115610 /nfs/dbraw/zinc/11/56/10/893115610.db2.gz FVHPTYXOLWSLRS-ZDUSSCGKSA-N 2 2 280.372 0.452 20 0 CCADLP CCOCC[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001481753965 893115619 /nfs/dbraw/zinc/11/56/19/893115619.db2.gz FVHPTYXOLWSLRS-ZDUSSCGKSA-N 2 2 280.372 0.452 20 0 CCADLP CCN(CC[NH2+][C@@H](C)COC)C(=O)Cn1cc[nH+]c1 ZINC001497506556 893191923 /nfs/dbraw/zinc/19/19/23/893191923.db2.gz 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CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001482845515 894645084 /nfs/dbraw/zinc/64/50/84/894645084.db2.gz MNPVSXFWIYBZSS-NEPJUHHUSA-N 2 2 264.373 0.950 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)CC[NH2+]CCO)c[nH+]1 ZINC001482843453 894645272 /nfs/dbraw/zinc/64/52/72/894645272.db2.gz OVHGDGHYTAUXGV-NSHDSACASA-N 2 2 282.388 0.403 20 0 CCADLP CCN(CC[NH2+]Cc1nc(C)no1)C(=O)CC[NH+](C)C ZINC001482947013 894718385 /nfs/dbraw/zinc/71/83/85/894718385.db2.gz CQZIRGPFKVMFAT-UHFFFAOYSA-N 2 2 283.376 0.268 20 0 CCADLP CO[C@H](C)C[NH2+]C/C=C\CNC(=O)Cc1c[nH]c[nH+]1 ZINC001483064138 894868523 /nfs/dbraw/zinc/86/85/23/894868523.db2.gz HIBBGFAJIYOWDS-DLRQAJBASA-N 2 2 266.345 0.249 20 0 CCADLP CC[C@H]1CCN(C(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC001336942167 921118769 /nfs/dbraw/zinc/11/87/69/921118769.db2.gz NBKSNEVAZBDQMO-LBPRGKRZSA-N 2 2 268.405 0.851 20 0 CCADLP CO[C@@H](C)C[N@H+](C)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001409644378 895302101 /nfs/dbraw/zinc/30/21/01/895302101.db2.gz 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C[C@@H](O)CCC[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001488775392 900376044 /nfs/dbraw/zinc/37/60/44/900376044.db2.gz RTYKMYIKLYMKBO-UPJWGTAASA-N 2 2 294.399 0.598 20 0 CCADLP CC[N@H+](C)CCOCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001489218929 900449440 /nfs/dbraw/zinc/44/94/40/900449440.db2.gz PCDFMJLQSCUUCE-UHFFFAOYSA-N 2 2 268.361 0.379 20 0 CCADLP CC[N@@H+](C)CCOCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001489218929 900449447 /nfs/dbraw/zinc/44/94/47/900449447.db2.gz PCDFMJLQSCUUCE-UHFFFAOYSA-N 2 2 268.361 0.379 20 0 CCADLP COC[C@H](C)[N@H+](C)CCCNC(=O)Cn1cc[nH+]c1 ZINC001490286618 900591083 /nfs/dbraw/zinc/59/10/83/900591083.db2.gz QQAUALUGKTYLQW-LBPRGKRZSA-N 2 2 268.361 0.356 20 0 CCADLP COC[C@H](C)[N@@H+](C)CCCNC(=O)Cn1cc[nH+]c1 ZINC001490286618 900591089 /nfs/dbraw/zinc/59/10/89/900591089.db2.gz QQAUALUGKTYLQW-LBPRGKRZSA-N 2 2 268.361 0.356 20 0 CCADLP CC[C@H](C(=O)N1CC([NH+](C)C)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC001411986156 901376341 /nfs/dbraw/zinc/37/63/41/901376341.db2.gz GYTSNDBKJDKOME-ZIAGYGMSSA-N 2 2 283.416 0.648 20 0 CCADLP CC[C@H](C(=O)N1CC([NH+](C)C)C1)[N@H+]1CCO[C@H](CC)C1 ZINC001411986156 901376352 /nfs/dbraw/zinc/37/63/52/901376352.db2.gz GYTSNDBKJDKOME-ZIAGYGMSSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@@H]([NH2+]CCO)[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001398210405 914569819 /nfs/dbraw/zinc/56/98/19/914569819.db2.gz USVUKSJXPHTTCB-VXGBXAGGSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)Cn1cc[nH+]c1 ZINC001412591361 901851554 /nfs/dbraw/zinc/85/15/54/901851554.db2.gz RSFLBLJOZQQHPT-KBPBESRZSA-N 2 2 294.399 0.604 20 0 CCADLP CCCC[NH+]1CCN(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001398275409 914598520 /nfs/dbraw/zinc/59/85/20/914598520.db2.gz BQMNRRRRTXGELN-UHFFFAOYSA-N 2 2 293.415 0.486 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]C[C@H]1CCOC1 ZINC001495784203 902190192 /nfs/dbraw/zinc/19/01/92/902190192.db2.gz HGUUXPAGXAZKFC-QWHCGFSZSA-N 2 2 294.399 0.341 20 0 CCADLP C[C@]([NH2+]C[C@H]1CCC[NH2+]C1)(C(N)=O)c1ccccc1 ZINC001327538041 914601222 /nfs/dbraw/zinc/60/12/22/914601222.db2.gz NZEVUPFTGICOBK-SWLSCSKDSA-N 2 2 261.369 0.976 20 0 CCADLP C[C@H](O)CCC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC001412959125 902392454 /nfs/dbraw/zinc/39/24/54/902392454.db2.gz KHEJNOHDWNQKOQ-GXTWGEPZSA-N 2 2 283.416 0.562 20 0 CCADLP C[C@H](O)CCC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC001412959125 902392470 /nfs/dbraw/zinc/39/24/70/902392470.db2.gz KHEJNOHDWNQKOQ-GXTWGEPZSA-N 2 2 283.416 0.562 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001412965896 902400563 /nfs/dbraw/zinc/40/05/63/902400563.db2.gz DPUFQQWZYBJJEK-MCIONIFRSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001412965896 902400566 /nfs/dbraw/zinc/40/05/66/902400566.db2.gz DPUFQQWZYBJJEK-MCIONIFRSA-N 2 2 283.416 0.554 20 0 CCADLP CCNC(=O)C[N@H+](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001492873284 914678131 /nfs/dbraw/zinc/67/81/31/914678131.db2.gz BACWGCJUIVUREE-UHFFFAOYSA-N 2 2 298.431 0.047 20 0 CCADLP CCNC(=O)C[N@@H+](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001492873284 914678135 /nfs/dbraw/zinc/67/81/35/914678135.db2.gz BACWGCJUIVUREE-UHFFFAOYSA-N 2 2 298.431 0.047 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[N@H+](C)CC1(C)C ZINC001413648300 903141107 /nfs/dbraw/zinc/14/11/07/903141107.db2.gz YTGZUKFEWZCKHO-WZRBSPASSA-N 2 2 276.384 0.980 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[N@@H+](C)CC1(C)C ZINC001413648300 903141112 /nfs/dbraw/zinc/14/11/12/903141112.db2.gz YTGZUKFEWZCKHO-WZRBSPASSA-N 2 2 276.384 0.980 20 0 CCADLP COCCC[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001491176787 903422886 /nfs/dbraw/zinc/42/28/86/903422886.db2.gz ZHGPSOWRLYAEMM-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H](OC)C1 ZINC001213555233 903836988 /nfs/dbraw/zinc/83/69/88/903836988.db2.gz CHWGVKNTPNDCTQ-IACUBPJLSA-N 2 2 294.399 0.814 20 0 CCADLP CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H](OC)C1 ZINC001213555233 903836998 /nfs/dbraw/zinc/83/69/98/903836998.db2.gz CHWGVKNTPNDCTQ-IACUBPJLSA-N 2 2 294.399 0.814 20 0 CCADLP CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H](OC)C1 ZINC001213555233 903837007 /nfs/dbraw/zinc/83/70/07/903837007.db2.gz CHWGVKNTPNDCTQ-IACUBPJLSA-N 2 2 294.399 0.814 20 0 CCADLP O=C(NC1CC(C[NH2+]CCO)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001282013314 904388516 /nfs/dbraw/zinc/38/85/16/904388516.db2.gz DBGLVEWVABHYNV-UHFFFAOYSA-N 2 2 288.351 0.653 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C)([NH2+]CCO)CC1 ZINC001377302877 904768505 /nfs/dbraw/zinc/76/85/05/904768505.db2.gz UFKIKNYQIDCNCT-UHFFFAOYSA-N 2 2 280.372 0.224 20 0 CCADLP CC[C@@H](C(=O)N(C)CC[NH2+][C@H](C)c1nnc(C)[nH]1)[NH+](C)C ZINC001377589524 905028447 /nfs/dbraw/zinc/02/84/47/905028447.db2.gz LXZVVRRXLADPQH-PWSUYJOCSA-N 2 2 296.419 0.562 20 0 CCADLP CCC[NH2+][C@@H](CO)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001283813716 905029865 /nfs/dbraw/zinc/02/98/65/905029865.db2.gz PZXXTLLKQVYHLE-CMPLNLGQSA-N 2 2 268.361 0.065 20 0 CCADLP CCC[NH2+][C@@H](CO)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001283813716 905029881 /nfs/dbraw/zinc/02/98/81/905029881.db2.gz PZXXTLLKQVYHLE-CMPLNLGQSA-N 2 2 268.361 0.065 20 0 CCADLP CC[C@H](C(=O)NC1C[NH+](CCC[C@@H]2CCOC2)C1)[NH+](C)C ZINC001377933189 905254332 /nfs/dbraw/zinc/25/43/32/905254332.db2.gz RBUAVWBMBPJHLE-UKRRQHHQSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@H+](C)CC(N)=O ZINC001378161152 905460799 /nfs/dbraw/zinc/46/07/99/905460799.db2.gz ZBXUNGXAZLRHIP-STQMWFEESA-N 2 2 298.431 0.173 20 0 CCADLP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@@H+](C)CC(N)=O ZINC001378161152 905460807 /nfs/dbraw/zinc/46/08/07/905460807.db2.gz ZBXUNGXAZLRHIP-STQMWFEESA-N 2 2 298.431 0.173 20 0 CCADLP CC(C)[NH+]1CC(CCO)(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001378322765 905592473 /nfs/dbraw/zinc/59/24/73/905592473.db2.gz BRDOMNOHCUOFPD-UHFFFAOYSA-N 2 2 299.459 0.926 20 0 CCADLP CC(C)[NH+]1CC(CCO)(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001378322765 905592492 /nfs/dbraw/zinc/59/24/92/905592492.db2.gz BRDOMNOHCUOFPD-UHFFFAOYSA-N 2 2 299.459 0.926 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC1(CCO)C[NH+](C(C)C)C1 ZINC001378356141 905607442 /nfs/dbraw/zinc/60/74/42/905607442.db2.gz ORKBKQBCHAKKKC-UHFFFAOYSA-N 2 2 280.372 0.153 20 0 CCADLP CC[C@@H](C)C[NH+]1CC(CCO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001378356034 905608363 /nfs/dbraw/zinc/60/83/63/905608363.db2.gz NMDWMRVNRISWLK-CQSZACIVSA-N 2 2 297.443 0.681 20 0 CCADLP CC[C@H](C(=O)NC1(CCO)C[NH+](C(C)C)C1)[NH+](C)C ZINC001378358712 905609227 /nfs/dbraw/zinc/60/92/27/905609227.db2.gz VEMVAHQEZWRWLQ-GFCCVEGCSA-N 2 2 271.405 0.288 20 0 CCADLP C[C@H](C[NH2+]Cc1nccn1C)NC(=O)CCn1cc[nH+]c1 ZINC001379403355 906212532 /nfs/dbraw/zinc/21/25/32/906212532.db2.gz MRCDOZODRGNEOB-GFCCVEGCSA-N 2 2 290.371 0.301 20 0 CCADLP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@@H](C)c1nc(C)no1 ZINC001379447251 906247616 /nfs/dbraw/zinc/24/76/16/906247616.db2.gz OGSPRAQRIGQKEY-MNOVXSKESA-N 2 2 297.403 0.875 20 0 CCADLP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH2+][C@@H](C)c1nc(C)no1 ZINC001379447251 906247631 /nfs/dbraw/zinc/24/76/31/906247631.db2.gz OGSPRAQRIGQKEY-MNOVXSKESA-N 2 2 297.403 0.875 20 0 CCADLP Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)[C@H]2C)o1 ZINC001379552074 906347969 /nfs/dbraw/zinc/34/79/69/906347969.db2.gz LBRPIUOUPKZXSB-CMPLNLGQSA-N 2 2 295.387 0.409 20 0 CCADLP CC(C)[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001379813461 906489880 /nfs/dbraw/zinc/48/98/80/906489880.db2.gz WVVZSVNTXAMSMW-STQMWFEESA-N 2 2 294.399 0.263 20 0 CCADLP C[C@@H]([NH2+]CCO)[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001380663484 906885889 /nfs/dbraw/zinc/88/58/89/906885889.db2.gz DGHHAFUMDRSSDR-CHWSQXEVSA-N 2 2 294.399 0.172 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@](CO)([NH2+]CCF)C1 ZINC001381057046 907053106 /nfs/dbraw/zinc/05/31/06/907053106.db2.gz YHDMSBGUFZHLOV-AWEZNQCLSA-N 2 2 298.362 0.173 20 0 CCADLP CC[NH2+]CC1(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCOCC1 ZINC001381063766 907059677 /nfs/dbraw/zinc/05/96/77/907059677.db2.gz BZZMAZQPFBXPCF-LBPRGKRZSA-N 2 2 294.399 0.863 20 0 CCADLP CC[NH2+]CC1(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCOCC1 ZINC001381063766 907059698 /nfs/dbraw/zinc/05/96/98/907059698.db2.gz BZZMAZQPFBXPCF-LBPRGKRZSA-N 2 2 294.399 0.863 20 0 CCADLP CCC(CC)C[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001381080779 907066689 /nfs/dbraw/zinc/06/66/89/907066689.db2.gz REKBORJOPZIUAQ-OAHLLOKOSA-N 2 2 297.443 0.897 20 0 CCADLP CCC(CC)C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001381080779 907066706 /nfs/dbraw/zinc/06/67/06/907066706.db2.gz REKBORJOPZIUAQ-OAHLLOKOSA-N 2 2 297.443 0.897 20 0 CCADLP CN(C)c1[nH+]cc(CNc2nccnc2C[NH3+])n1C ZINC001337864593 921299799 /nfs/dbraw/zinc/29/97/99/921299799.db2.gz DQLRSQLODMGRDY-UHFFFAOYSA-N 2 2 261.333 0.347 20 0 CCADLP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]Cc1csnn1 ZINC001381417042 907197063 /nfs/dbraw/zinc/19/70/63/907197063.db2.gz IUCXTXOILNFWNR-NXEZZACHSA-N 2 2 285.417 0.473 20 0 CCADLP Cc1oncc1C[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001491692859 907508972 /nfs/dbraw/zinc/50/89/72/907508972.db2.gz AGFDQMFNPAOLRB-SNVBAGLBSA-N 2 2 277.328 0.474 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001491734717 907542713 /nfs/dbraw/zinc/54/27/13/907542713.db2.gz JGSFLTMKLPVWNY-STQMWFEESA-N 2 2 292.383 0.282 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@@H](CO)[NH2+]C/C=C\Cl ZINC001382244739 907638801 /nfs/dbraw/zinc/63/88/01/907638801.db2.gz YPDPGSBRTHFOIB-DGWOPVBCSA-N 2 2 286.763 0.092 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)C(N)=O ZINC001492315347 907844716 /nfs/dbraw/zinc/84/47/16/907844716.db2.gz CIIHVFPTNMRWRD-OLZOCXBDSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)C(N)=O ZINC001492315347 907844733 /nfs/dbraw/zinc/84/47/33/907844733.db2.gz CIIHVFPTNMRWRD-OLZOCXBDSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)C[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@H](C)C(N)=O ZINC001492315347 907844754 /nfs/dbraw/zinc/84/47/54/907844754.db2.gz CIIHVFPTNMRWRD-OLZOCXBDSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)C[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@H](C)C(N)=O ZINC001492315347 907844772 /nfs/dbraw/zinc/84/47/72/907844772.db2.gz CIIHVFPTNMRWRD-OLZOCXBDSA-N 2 2 298.431 0.029 20 0 CCADLP C[C@H]1CC[N@H+](CC[NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC001336782173 907991942 /nfs/dbraw/zinc/99/19/42/907991942.db2.gz YBGPGIUTRBOSAF-UONOGXRCSA-N 2 2 286.416 0.474 20 0 CCADLP C[C@H]1CC[N@@H+](CC[NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC001336782173 907991956 /nfs/dbraw/zinc/99/19/56/907991956.db2.gz YBGPGIUTRBOSAF-UONOGXRCSA-N 2 2 286.416 0.474 20 0 CCADLP CCn1ncc(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)n1 ZINC001308249032 908401745 /nfs/dbraw/zinc/40/17/45/908401745.db2.gz QOUNZYQTSGQWBN-GFCCVEGCSA-N 2 2 266.393 0.024 20 0 CCADLP c1cc(C[NH2+]CCc2nc[nH]n2)n(-c2cc[nH+]cc2)n1 ZINC001308299881 908404468 /nfs/dbraw/zinc/40/44/68/908404468.db2.gz KEIWIVQVWGFSMV-UHFFFAOYSA-N 2 2 269.312 0.718 20 0 CCADLP Cn1cc([C@H](CO)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC001308360801 908409566 /nfs/dbraw/zinc/40/95/66/908409566.db2.gz PNHGRFXSJBZCBV-IHRRRGAJSA-N 2 2 264.373 0.670 20 0 CCADLP Cn1cc([C@H](CO)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC001308360801 908409572 /nfs/dbraw/zinc/40/95/72/908409572.db2.gz PNHGRFXSJBZCBV-IHRRRGAJSA-N 2 2 264.373 0.670 20 0 CCADLP CCn1nnc(C)c1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC001308378142 908414632 /nfs/dbraw/zinc/41/46/32/908414632.db2.gz DQLMCDUCRUZKGW-NSHDSACASA-N 2 2 260.345 0.908 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]([NH2+]CCC[C@H](C)O)C1 ZINC001317092216 908971734 /nfs/dbraw/zinc/97/17/34/908971734.db2.gz ZAUFNUVXHBCEJK-DRZSPHRISA-N 2 2 294.399 0.658 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001417628374 921467680 /nfs/dbraw/zinc/46/76/80/921467680.db2.gz QDASKPLGOBDGHZ-UONOGXRCSA-N 2 2 292.383 0.249 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[C@@H]1CC[N@@H+](CCF)C1 ZINC001317813957 909509795 /nfs/dbraw/zinc/50/97/95/909509795.db2.gz PLAJBZXUMOWCDI-GFCCVEGCSA-N 2 2 268.336 0.681 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[C@@H]1CC[N@H+](CCF)C1 ZINC001317813957 909509803 /nfs/dbraw/zinc/50/98/03/909509803.db2.gz PLAJBZXUMOWCDI-GFCCVEGCSA-N 2 2 268.336 0.681 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001318344589 909716799 /nfs/dbraw/zinc/71/67/99/909716799.db2.gz FRQWZNGDCKCFHO-GFCCVEGCSA-N 2 2 264.373 0.952 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001318344589 909716806 /nfs/dbraw/zinc/71/68/06/909716806.db2.gz FRQWZNGDCKCFHO-GFCCVEGCSA-N 2 2 264.373 0.952 20 0 CCADLP CC[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CCCO ZINC001318543790 909812226 /nfs/dbraw/zinc/81/22/26/909812226.db2.gz ZTDGPFSWLIWIEX-OLZOCXBDSA-N 2 2 294.399 0.312 20 0 CCADLP C[C@@H](CC[NH+]1CCN(C)CC1)N1CC[NH+](C)CC1 ZINC001319392833 910131158 /nfs/dbraw/zinc/13/11/58/910131158.db2.gz FQJCZDRMUUDPDG-AWEZNQCLSA-N 2 2 254.422 0.260 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001390004653 910179083 /nfs/dbraw/zinc/17/90/83/910179083.db2.gz HYFCDCJGGAOTAL-ZMLRMANQSA-N 2 2 280.372 0.532 20 0 CCADLP C[C@H](O)C[N@@H+]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001390136930 910240030 /nfs/dbraw/zinc/24/00/30/910240030.db2.gz VBJYDQWNMZPSFY-STQMWFEESA-N 2 2 280.372 0.235 20 0 CCADLP C[C@H](O)C[N@H+]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001390136930 910240049 /nfs/dbraw/zinc/24/00/49/910240049.db2.gz VBJYDQWNMZPSFY-STQMWFEESA-N 2 2 280.372 0.235 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C)n1cc[nH+]c1 ZINC001319744432 910279494 /nfs/dbraw/zinc/27/94/94/910279494.db2.gz VDUYOWOLSHBTTE-GRYCIOLGSA-N 2 2 250.346 0.995 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C)n1cc[nH+]c1 ZINC001319744432 910279509 /nfs/dbraw/zinc/27/95/09/910279509.db2.gz VDUYOWOLSHBTTE-GRYCIOLGSA-N 2 2 250.346 0.995 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cnsn1 ZINC001390305983 910326639 /nfs/dbraw/zinc/32/66/39/910326639.db2.gz IVLUPOFOHLAQMI-MWLCHTKSSA-N 2 2 283.401 0.227 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cnsn1 ZINC001390305983 910326652 /nfs/dbraw/zinc/32/66/52/910326652.db2.gz IVLUPOFOHLAQMI-MWLCHTKSSA-N 2 2 283.401 0.227 20 0 CCADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]C[C@@H]1CCOC1 ZINC001390457759 910431949 /nfs/dbraw/zinc/43/19/49/910431949.db2.gz MLNMSFGIVMHCLT-OLZOCXBDSA-N 2 2 280.372 0.404 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@@H+](C)CC1CCOCC1 ZINC001390849247 910727071 /nfs/dbraw/zinc/72/70/71/910727071.db2.gz CCTYZCOZIRCSAS-UHFFFAOYSA-N 2 2 294.399 0.735 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@H+](C)CC1CCOCC1 ZINC001390849247 910727081 /nfs/dbraw/zinc/72/70/81/910727081.db2.gz CCTYZCOZIRCSAS-UHFFFAOYSA-N 2 2 294.399 0.735 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001417802359 921619641 /nfs/dbraw/zinc/61/96/41/921619641.db2.gz WAVBMGSISZQNQX-RAIGVLPGSA-N 2 2 294.399 0.780 20 0 CCADLP C[C@@H](CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCO)C1)n1cc[nH+]c1 ZINC001417818310 921628171 /nfs/dbraw/zinc/62/81/71/921628171.db2.gz WIGHDGOMJZBQFP-MELADBBJSA-N 2 2 294.399 0.701 20 0 CCADLP CC(C)[C@H](C(=O)NC1C[NH+](C[C@H](C)O)C1)[NH+]1CCCCC1 ZINC001391459577 911148345 /nfs/dbraw/zinc/14/83/45/911148345.db2.gz HQGJIKFSFPVZSS-DZGCQCFKSA-N 2 2 297.443 0.678 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]C/C=C\CNC(=O)CC[NH+](C)C)o1 ZINC001321220189 911173971 /nfs/dbraw/zinc/17/39/71/911173971.db2.gz AJBQXDJMSLUTBM-GZTOBOFZSA-N 2 2 295.387 0.653 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1C[NH+](C[C@H]2CCCCO2)C1 ZINC001391518567 911190462 /nfs/dbraw/zinc/19/04/62/911190462.db2.gz VYARAMSJGKNYQT-CQSZACIVSA-N 2 2 292.383 0.500 20 0 CCADLP CN(CC[N@H+](C)Cc1cncs1)C(=O)CC[NH+](C)C ZINC001392304697 911714993 /nfs/dbraw/zinc/71/49/93/911714993.db2.gz RTCPHPNHHVCXGH-UHFFFAOYSA-N 2 2 284.429 0.985 20 0 CCADLP CN(CC[N@@H+](C)Cc1cncs1)C(=O)CC[NH+](C)C ZINC001392304697 911715003 /nfs/dbraw/zinc/71/50/03/911715003.db2.gz RTCPHPNHHVCXGH-UHFFFAOYSA-N 2 2 284.429 0.985 20 0 CCADLP C[C@H](CC(=O)N[C@@H]1CCC[N@@H+](CCO)C1)n1cc[nH+]c1 ZINC001417910699 921699198 /nfs/dbraw/zinc/69/91/98/921699198.db2.gz DMNSDDIBLPOZSC-CHWSQXEVSA-N 2 2 280.372 0.407 20 0 CCADLP CC[NH2+]CCCN(C)C(=O)CCc1c[nH+]cn1C ZINC001322815412 911945306 /nfs/dbraw/zinc/94/53/06/911945306.db2.gz CARFABKMTRWWNQ-UHFFFAOYSA-N 2 2 252.362 0.811 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)Cc1ccn(C)n1 ZINC001392719608 912112278 /nfs/dbraw/zinc/11/22/78/912112278.db2.gz FBMDLBCUHUKIQI-CYBMUJFWSA-N 2 2 295.431 0.698 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)Cc1ccn(C)n1 ZINC001392719608 912112285 /nfs/dbraw/zinc/11/22/85/912112285.db2.gz FBMDLBCUHUKIQI-CYBMUJFWSA-N 2 2 295.431 0.698 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@H](C)C[N@@H+](C)Cc1ccn(C)n1 ZINC001392719608 912112294 /nfs/dbraw/zinc/11/22/94/912112294.db2.gz FBMDLBCUHUKIQI-CYBMUJFWSA-N 2 2 295.431 0.698 20 0 CCADLP CC[C@H](C[N@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1)OC ZINC001392722337 912117972 /nfs/dbraw/zinc/11/79/72/912117972.db2.gz GABRQOVBTNHLKR-CHWSQXEVSA-N 2 2 282.388 0.745 20 0 CCADLP CC[C@H](C[N@@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1)OC ZINC001392722337 912117980 /nfs/dbraw/zinc/11/79/80/912117980.db2.gz GABRQOVBTNHLKR-CHWSQXEVSA-N 2 2 282.388 0.745 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C[NH2+]C[C@H](C)O)C1CC1 ZINC001392805441 912159553 /nfs/dbraw/zinc/15/95/53/912159553.db2.gz PGHBAJDNYBJUII-TVQRCGJNSA-N 2 2 280.372 0.126 20 0 CCADLP CCc1cnc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001399101180 915049732 /nfs/dbraw/zinc/04/97/32/915049732.db2.gz FFWCAAQNOQLKFO-NWDGAFQWSA-N 2 2 294.399 0.783 20 0 CCADLP CCc1cnc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001399101180 915049748 /nfs/dbraw/zinc/04/97/48/915049748.db2.gz FFWCAAQNOQLKFO-NWDGAFQWSA-N 2 2 294.399 0.783 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+]CC[C@H]1CCCO1 ZINC001399101223 915051071 /nfs/dbraw/zinc/05/10/71/915051071.db2.gz CLHIPYPCNJSKMK-DGCLKSJQSA-N 2 2 294.399 0.924 20 0 CCADLP COC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001399581988 915246741 /nfs/dbraw/zinc/24/67/41/915246741.db2.gz QDCYRWPACXKVQK-YNEHKIRRSA-N 2 2 294.399 0.607 20 0 CCADLP COC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001399581988 915246757 /nfs/dbraw/zinc/24/67/57/915246757.db2.gz QDCYRWPACXKVQK-YNEHKIRRSA-N 2 2 294.399 0.607 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001418014404 921764251 /nfs/dbraw/zinc/76/42/51/921764251.db2.gz PUBVLDWNFMIEOJ-WCQYABFASA-N 2 2 280.372 0.402 20 0 CCADLP CC(C)OCC[N@@H+]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001399922734 915449949 /nfs/dbraw/zinc/44/99/49/915449949.db2.gz DTBHHRQUXSDIPT-CYBMUJFWSA-N 2 2 294.399 0.815 20 0 CCADLP CC(C)OCC[N@H+]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001399922734 915449958 /nfs/dbraw/zinc/44/99/58/915449958.db2.gz DTBHHRQUXSDIPT-CYBMUJFWSA-N 2 2 294.399 0.815 20 0 CCADLP COC[C@@H](C)[N@H+](CCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001400044571 915523257 /nfs/dbraw/zinc/52/32/57/915523257.db2.gz YIWRPQRNZJYPOV-GFCCVEGCSA-N 2 2 280.372 0.499 20 0 CCADLP COC[C@@H](C)[N@@H+](CCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001400044571 915523276 /nfs/dbraw/zinc/52/32/76/915523276.db2.gz YIWRPQRNZJYPOV-GFCCVEGCSA-N 2 2 280.372 0.499 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCN(C)C(=O)CC[NH+](C)C)o1 ZINC001400042744 915523796 /nfs/dbraw/zinc/52/37/96/915523796.db2.gz QVZUSHWHMHQVNR-SNVBAGLBSA-N 2 2 283.376 0.439 20 0 CCADLP C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)[C@H](C)[NH2+]CCCO ZINC001329044464 915618687 /nfs/dbraw/zinc/61/86/87/915618687.db2.gz FITRPEVBTVWGOV-WDEREUQCSA-N 2 2 268.361 0.208 20 0 CCADLP C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)[C@H](C)[NH2+]CCCO ZINC001329044464 915618699 /nfs/dbraw/zinc/61/86/99/915618699.db2.gz FITRPEVBTVWGOV-WDEREUQCSA-N 2 2 268.361 0.208 20 0 CCADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)[NH2+]CCCF ZINC001329153054 915713148 /nfs/dbraw/zinc/71/31/48/915713148.db2.gz UFXAQLAMWMYBJA-NXEZZACHSA-N 2 2 256.325 0.795 20 0 CCADLP C[NH2+]CCOCC[N@H+](C)CC(=O)Nc1c(C)nn(C)c1C ZINC001329594581 916047463 /nfs/dbraw/zinc/04/74/63/916047463.db2.gz BYPNBFGAACYWHB-UHFFFAOYSA-N 2 2 297.403 0.143 20 0 CCADLP C[NH2+]CCOCC[N@@H+](C)CC(=O)Nc1c(C)nn(C)c1C ZINC001329594581 916047474 /nfs/dbraw/zinc/04/74/74/916047474.db2.gz BYPNBFGAACYWHB-UHFFFAOYSA-N 2 2 297.403 0.143 20 0 CCADLP COC1CC[NH+](Cc2cn([C@@H](C)C[NH3+])nn2)CC1 ZINC001329693126 916133698 /nfs/dbraw/zinc/13/36/98/916133698.db2.gz RTYXXVHCFNGMDQ-JTQLQIEISA-N 2 2 253.350 0.409 20 0 CCADLP Cc1ncoc1C[N@@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001401443517 916258068 /nfs/dbraw/zinc/25/80/68/916258068.db2.gz YYKFILHZNUNBMV-UHFFFAOYSA-N 2 2 294.399 0.969 20 0 CCADLP Cc1ncoc1C[N@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001401443517 916258082 /nfs/dbraw/zinc/25/80/82/916258082.db2.gz YYKFILHZNUNBMV-UHFFFAOYSA-N 2 2 294.399 0.969 20 0 CCADLP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1csnn1)[NH+](C)C ZINC001401694535 916485707 /nfs/dbraw/zinc/48/57/07/916485707.db2.gz OVKYOKUPOAISJM-GXSJLCMTSA-N 2 2 285.417 0.473 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnon1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001401708000 916498121 /nfs/dbraw/zinc/49/81/21/916498121.db2.gz PZOXWSPATJMSFW-NSHDSACASA-N 2 2 297.403 0.642 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnon1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001401708000 916498128 /nfs/dbraw/zinc/49/81/28/916498128.db2.gz PZOXWSPATJMSFW-NSHDSACASA-N 2 2 297.403 0.642 20 0 CCADLP C[C@@H](C[NH2+]Cc1csnn1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001401707400 916499604 /nfs/dbraw/zinc/49/96/04/916499604.db2.gz KUAKUJGRXJZYEF-MNOVXSKESA-N 2 2 297.428 0.474 20 0 CCADLP C[C@@H](C[NH2+]Cc1csnn1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001401707400 916499610 /nfs/dbraw/zinc/49/96/10/916499610.db2.gz KUAKUJGRXJZYEF-MNOVXSKESA-N 2 2 297.428 0.474 20 0 CCADLP Cc1nocc1C[NH2+]C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001401716112 916508770 /nfs/dbraw/zinc/50/87/70/916508770.db2.gz FMUCWGONYWNRCS-JTQLQIEISA-N 2 2 291.355 0.554 20 0 CCADLP COC[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001401809078 916605601 /nfs/dbraw/zinc/60/56/01/916605601.db2.gz XIVHRWYIYJSLGB-NEPJUHHUSA-N 2 2 282.388 0.434 20 0 CCADLP COC[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001401809078 916605618 /nfs/dbraw/zinc/60/56/18/916605618.db2.gz XIVHRWYIYJSLGB-NEPJUHHUSA-N 2 2 282.388 0.434 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1([NH2+]C[C@@H]2CCCOC2)CC1 ZINC001401988253 916743377 /nfs/dbraw/zinc/74/33/77/916743377.db2.gz YDWFCZLSUXEYSN-ZDUSSCGKSA-N 2 2 292.383 0.548 20 0 CCADLP CC(=O)N1CC[C@@H](C[N@@H+](C)CCc2c[nH+]cn2C)C1 ZINC001330655338 916769350 /nfs/dbraw/zinc/76/93/50/916769350.db2.gz OOUFYHZPSXQBRR-ZDUSSCGKSA-N 2 2 264.373 0.763 20 0 CCADLP CC(=O)N1CC[C@@H](C[N@H+](C)CCc2c[nH+]cn2C)C1 ZINC001330655338 916769364 /nfs/dbraw/zinc/76/93/64/916769364.db2.gz OOUFYHZPSXQBRR-ZDUSSCGKSA-N 2 2 264.373 0.763 20 0 CCADLP COC[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001402070392 916791333 /nfs/dbraw/zinc/79/13/33/916791333.db2.gz HGBMUPZYEXFDAF-QWHCGFSZSA-N 2 2 294.399 0.578 20 0 CCADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CN2C(=O)[C@@H]3CC[C@@H]3C2=O)C1 ZINC001331030589 917034506 /nfs/dbraw/zinc/03/45/06/917034506.db2.gz MLRPRPDJAVOKHD-IGQOVBAYSA-N 2 2 291.395 0.755 20 0 CCADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CN2C(=O)[C@@H]3CC[C@@H]3C2=O)C1 ZINC001331030589 917034522 /nfs/dbraw/zinc/03/45/22/917034522.db2.gz MLRPRPDJAVOKHD-IGQOVBAYSA-N 2 2 291.395 0.755 20 0 CCADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2CN2C(=O)[C@@H]3CC[C@@H]3C2=O)C1 ZINC001331030589 917034534 /nfs/dbraw/zinc/03/45/34/917034534.db2.gz MLRPRPDJAVOKHD-IGQOVBAYSA-N 2 2 291.395 0.755 20 0 CCADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2CN2C(=O)[C@@H]3CC[C@@H]3C2=O)C1 ZINC001331030589 917034548 /nfs/dbraw/zinc/03/45/48/917034548.db2.gz MLRPRPDJAVOKHD-IGQOVBAYSA-N 2 2 291.395 0.755 20 0 CCADLP CO[C@@H](C)C[N@H+](C)C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001402926516 917353493 /nfs/dbraw/zinc/35/34/93/917353493.db2.gz GEQXVOFTTLLLLN-KBPBESRZSA-N 2 2 294.399 0.841 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001402926516 917353501 /nfs/dbraw/zinc/35/35/01/917353501.db2.gz GEQXVOFTTLLLLN-KBPBESRZSA-N 2 2 294.399 0.841 20 0 CCADLP C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]Cc1cncn1C ZINC001403039661 917440986 /nfs/dbraw/zinc/44/09/86/917440986.db2.gz PBNNLLBTOQLQCI-QWRGUYRKSA-N 2 2 290.371 0.369 20 0 CCADLP Cc1noc(C[NH2+][C@@H](C)CNC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001403087411 917466304 /nfs/dbraw/zinc/46/63/04/917466304.db2.gz SOSYXFPHIMQXCY-CMPLNLGQSA-N 2 2 295.387 0.314 20 0 CCADLP Cc1noc(C[NH2+][C@@H](C)CNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001403087411 917466317 /nfs/dbraw/zinc/46/63/17/917466317.db2.gz SOSYXFPHIMQXCY-CMPLNLGQSA-N 2 2 295.387 0.314 20 0 CCADLP C/C(=C\C(=O)NCC[NH+]1CC=CC1)C[NH+]1CCOCC1 ZINC001331915541 917712433 /nfs/dbraw/zinc/71/24/33/917712433.db2.gz LXWLAETXYNGDSB-WYMLVPIESA-N 2 2 279.384 0.253 20 0 CCADLP C[C@@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)S(C)(=O)=O ZINC001331973864 917773727 /nfs/dbraw/zinc/77/37/27/917773727.db2.gz XWVVCMKLMNETFN-IUCAKERBSA-N 2 2 257.359 0.290 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1nncs1 ZINC001403617237 917848775 /nfs/dbraw/zinc/84/87/75/917848775.db2.gz CTXMMWLTYCIRNG-LLVKDONJSA-N 2 2 299.444 0.815 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1nncs1 ZINC001403617237 917848798 /nfs/dbraw/zinc/84/87/98/917848798.db2.gz CTXMMWLTYCIRNG-LLVKDONJSA-N 2 2 299.444 0.815 20 0 CCADLP Cc1c(C(=O)N[C@@H](CO)c2c[nH+]cn2C)ccc2c[nH+]cn21 ZINC001332211004 917958805 /nfs/dbraw/zinc/95/88/05/917958805.db2.gz RGRLHXHTODYKBQ-ZDUSSCGKSA-N 2 2 299.334 0.840 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](CO)[NH2+]CCC(C)(C)C ZINC001403719948 917959193 /nfs/dbraw/zinc/95/91/93/917959193.db2.gz JVMCWTMFFIIGLX-GFCCVEGCSA-N 2 2 296.415 0.764 20 0 CCADLP Cc1cc(C)c(CNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)c[nH+]1 ZINC001332233020 917976553 /nfs/dbraw/zinc/97/65/53/917976553.db2.gz QPINNXVNWCOYCL-AULYBMBSSA-N 2 2 290.367 0.168 20 0 CCADLP C[N@H+](CCNC(=O)Cn1cc[nH+]c1)CC[C@H]1CCCCO1 ZINC001403802252 918017180 /nfs/dbraw/zinc/01/71/80/918017180.db2.gz IEUFEYIBZKMQDM-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP C[N@@H+](CCNC(=O)Cn1cc[nH+]c1)CC[C@H]1CCCCO1 ZINC001403802252 918017194 /nfs/dbraw/zinc/01/71/94/918017194.db2.gz IEUFEYIBZKMQDM-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP C[NH2+]C[C@H]1CCCN(C(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC001332517428 918243916 /nfs/dbraw/zinc/24/39/16/918243916.db2.gz RCDGGFDFQSMZPY-NWDGAFQWSA-N 2 2 250.346 0.902 20 0 CCADLP C[C@H]1CC[C@H](C[NH+]2CC(NC(=O)C3(C[NH+](C)C)CC3)C2)O1 ZINC001404803893 918471892 /nfs/dbraw/zinc/47/18/92/918471892.db2.gz FMCXRRAJVSUOSK-GXTWGEPZSA-N 2 2 295.427 0.696 20 0 CCADLP C[NH+](C)CCC(=O)NCC1C[NH+](Cc2ccc(F)cn2)C1 ZINC001404899331 918510517 /nfs/dbraw/zinc/51/05/17/918510517.db2.gz BXNXCASSWOJJAA-UHFFFAOYSA-N 2 2 294.374 0.720 20 0 CCADLP [NH3+]Cc1ccccc1CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC001332957607 918558640 /nfs/dbraw/zinc/55/86/40/918558640.db2.gz CRJYYKWPFSHYQF-ZZXKWVIFSA-N 2 2 289.379 0.650 20 0 CCADLP CC[C@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+]CCF ZINC001405354732 918736785 /nfs/dbraw/zinc/73/67/85/918736785.db2.gz QEXLRYKPOAGYAQ-LLVKDONJSA-N 2 2 270.352 0.807 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)C[NH2+]Cc1cnon1 ZINC001405730730 918876504 /nfs/dbraw/zinc/87/65/04/918876504.db2.gz GSXLLQWTXXNDEZ-JTQLQIEISA-N 2 2 292.343 0.117 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CCO ZINC001406048792 919013869 /nfs/dbraw/zinc/01/38/69/919013869.db2.gz WJAYTPGWOWMJLO-CHWSQXEVSA-N 2 2 294.399 0.168 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001406072454 919026920 /nfs/dbraw/zinc/02/69/20/919026920.db2.gz HASQVLCPHAXHAT-STQMWFEESA-N 2 2 282.388 0.648 20 0 CCADLP C[C@H]([NH2+]CCn1cc[nH+]c1)[C@H]1CCS(=O)(=O)C1 ZINC001333697828 919108463 /nfs/dbraw/zinc/10/84/63/919108463.db2.gz REDKEDCETUUBST-QWRGUYRKSA-N 2 2 257.359 0.296 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@@H]1C[C@]1(C)Br ZINC001333725748 919122361 /nfs/dbraw/zinc/12/23/61/919122361.db2.gz ZYLXXNSZFILVAO-TUAOUCFPSA-N 2 2 290.249 0.995 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@@H]1C[C@]1(C)Br ZINC001333725748 919122369 /nfs/dbraw/zinc/12/23/69/919122369.db2.gz ZYLXXNSZFILVAO-TUAOUCFPSA-N 2 2 290.249 0.995 20 0 CCADLP CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccn(C)n1)[NH+](C)C ZINC001406685956 919426273 /nfs/dbraw/zinc/42/62/73/919426273.db2.gz DSFSFFAZILSUII-GXTWGEPZSA-N 2 2 295.431 0.697 20 0 CCADLP CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccn(C)n1)[NH+](C)C ZINC001406685956 919426285 /nfs/dbraw/zinc/42/62/85/919426285.db2.gz DSFSFFAZILSUII-GXTWGEPZSA-N 2 2 295.431 0.697 20 0 CCADLP CO[C@H](C)C[N@H+](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001406699140 919433963 /nfs/dbraw/zinc/43/39/63/919433963.db2.gz QZGUORZCABAKNF-GHMZBOCLSA-N 2 2 282.388 0.732 20 0 CCADLP CO[C@H](C)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001406699140 919433969 /nfs/dbraw/zinc/43/39/69/919433969.db2.gz QZGUORZCABAKNF-GHMZBOCLSA-N 2 2 282.388 0.732 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001407227396 919671151 /nfs/dbraw/zinc/67/11/51/919671151.db2.gz DYXHHXLAYKKZQR-SWLSCSKDSA-N 2 2 294.399 0.172 20 0 CCADLP CC(C)[NH+]1CC(O)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001407444541 919759947 /nfs/dbraw/zinc/75/99/47/919759947.db2.gz ZQUIQANVVHXQQP-UHFFFAOYSA-N 2 2 283.416 0.290 20 0 CCADLP COCC[C@H]([NH3+])c1nc([C@@H]2C[NH+]3CCC2CC3)no1 ZINC001334856219 919801722 /nfs/dbraw/zinc/80/17/22/919801722.db2.gz CLUPBIQUMRPDLH-MNOVXSKESA-N 2 2 266.345 0.915 20 0 CCADLP O=C(C[NH+]1CCCC1)NC[C@@H]1COCC[N@@H+]1CC1CC1 ZINC001407768107 919883514 /nfs/dbraw/zinc/88/35/14/919883514.db2.gz LXGUCVJBUOMQAH-CQSZACIVSA-N 2 2 281.400 0.309 20 0 CCADLP O=C(C[NH+]1CCCC1)NC[C@@H]1COCC[N@H+]1CC1CC1 ZINC001407768107 919883524 /nfs/dbraw/zinc/88/35/24/919883524.db2.gz LXGUCVJBUOMQAH-CQSZACIVSA-N 2 2 281.400 0.309 20 0 CCADLP Cc1nccnc1[C@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC001335379648 920157462 /nfs/dbraw/zinc/15/74/62/920157462.db2.gz ARISQJCPOIXQJK-NSHDSACASA-N 2 2 250.346 0.944 20 0 CCADLP CC(C)COC[C@@H](O)C[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC001335397841 920171778 /nfs/dbraw/zinc/17/17/78/920171778.db2.gz QPEKHVKTHJXESZ-KBPBESRZSA-N 2 2 258.406 0.951 20 0 CCADLP CC(C)COC[C@@H](O)C[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC001335397841 920171767 /nfs/dbraw/zinc/17/17/67/920171767.db2.gz QPEKHVKTHJXESZ-KBPBESRZSA-N 2 2 258.406 0.951 20 0 CCADLP C[C@H]1CCCCN1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336191225 920649851 /nfs/dbraw/zinc/64/98/51/920649851.db2.gz CPKLKTDNVXUECT-LBPRGKRZSA-N 2 2 268.405 0.994 20 0 CCADLP COCCCN(C)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336736802 920968287 /nfs/dbraw/zinc/96/82/87/920968287.db2.gz OKOXCDJTCLMSQJ-UHFFFAOYSA-N 2 2 272.393 0.087 20 0 CCADLP CC1(CNC(=O)NCC[NH+]2CCC([NH3+])CC2)CCC1 ZINC001336848023 921057606 /nfs/dbraw/zinc/05/76/06/921057606.db2.gz ILYLPMTXESJYAR-UHFFFAOYSA-N 2 2 268.405 0.899 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)NCc1c[nH+]cn1C ZINC001336876429 921077276 /nfs/dbraw/zinc/07/72/76/921077276.db2.gz IFCZGDUTWFJOJX-GHMZBOCLSA-N 2 2 265.361 0.465 20 0 CCADLP C[C@@H]([NH3+])c1cn(Cc2[nH+]ccn2CC(F)F)nn1 ZINC001336895088 921088850 /nfs/dbraw/zinc/08/88/50/921088850.db2.gz DZFMQRJWUNFSKA-SSDOTTSWSA-N 2 2 256.260 0.808 20 0 CCADLP Cc1noc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001418209950 921916680 /nfs/dbraw/zinc/91/66/80/921916680.db2.gz FPVRKBYRPPUNTL-ONGXEEELSA-N 2 2 281.360 0.067 20 0 CCADLP Cc1noc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001418209950 921916696 /nfs/dbraw/zinc/91/66/96/921916696.db2.gz FPVRKBYRPPUNTL-ONGXEEELSA-N 2 2 281.360 0.067 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ncccn1 ZINC001418242964 921955110 /nfs/dbraw/zinc/95/51/10/921955110.db2.gz IKNLRJULNRUAKP-STQMWFEESA-N 2 2 291.399 0.555 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1ncccn1 ZINC001418242964 921955123 /nfs/dbraw/zinc/95/51/23/921955123.db2.gz IKNLRJULNRUAKP-STQMWFEESA-N 2 2 291.399 0.555 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)C2=CCC[NH2+]CC2)CCO1 ZINC001340199178 922008062 /nfs/dbraw/zinc/00/80/62/922008062.db2.gz FDCWWGFFGHLBKR-LBPRGKRZSA-N 2 2 267.373 0.133 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)C2=CCC[NH2+]CC2)CCO1 ZINC001340199178 922008074 /nfs/dbraw/zinc/00/80/74/922008074.db2.gz FDCWWGFFGHLBKR-LBPRGKRZSA-N 2 2 267.373 0.133 20 0 CCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H](C[NH3+])C1CC1 ZINC001340334000 922058874 /nfs/dbraw/zinc/05/88/74/922058874.db2.gz PRXXOGOSZQTLBT-IJLUTSLNSA-N 2 2 262.357 0.719 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[C@@H]([NH3+])C(F)F)[C@H]1CC[NH3+] ZINC001340561523 922122179 /nfs/dbraw/zinc/12/21/79/922122179.db2.gz XHHKWKIIBJEKTA-BBBLOLIVSA-N 2 2 263.332 0.945 20 0 CCADLP Cn1nccc1C[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001418492144 922177211 /nfs/dbraw/zinc/17/72/11/922177211.db2.gz ABVBDMWWJUJZDE-UHFFFAOYSA-N 2 2 293.415 0.310 20 0 CCADLP Cn1nccc1C[N@@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001418492144 922177226 /nfs/dbraw/zinc/17/72/26/922177226.db2.gz ABVBDMWWJUJZDE-UHFFFAOYSA-N 2 2 293.415 0.310 20 0 CCADLP CC[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C[C@H]1CC[C@@H](C)O1 ZINC001418569137 922268912 /nfs/dbraw/zinc/26/89/12/922268912.db2.gz QRSHRWFRMYLFGW-CHWSQXEVSA-N 2 2 294.399 0.958 20 0 CCADLP CC[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C[C@H]1CC[C@@H](C)O1 ZINC001418569137 922268929 /nfs/dbraw/zinc/26/89/29/922268929.db2.gz QRSHRWFRMYLFGW-CHWSQXEVSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@@]1(C(=O)NCC[NH+]2CCC([NH3+])CC2)CC1(F)F ZINC001341056929 922329570 /nfs/dbraw/zinc/32/95/70/922329570.db2.gz POUKKMCWHQDTDO-NSHDSACASA-N 2 2 261.316 0.571 20 0 CCADLP CO[C@@H]1CCC[C@@H]1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001341057469 922330625 /nfs/dbraw/zinc/33/06/25/922330625.db2.gz VAWKLNTXFBDUOE-QWHCGFSZSA-N 2 2 269.389 0.341 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)CCC1C[NH2+]C1 ZINC001341127290 922352397 /nfs/dbraw/zinc/35/23/97/922352397.db2.gz OXIAGSJRBDDGQQ-CYBMUJFWSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC001341145476 922355028 /nfs/dbraw/zinc/35/50/28/922355028.db2.gz BHSDLWDZBSQHNG-YUSALJHKSA-N 2 2 250.346 0.974 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC001341145476 922355044 /nfs/dbraw/zinc/35/50/44/922355044.db2.gz BHSDLWDZBSQHNG-YUSALJHKSA-N 2 2 250.346 0.974 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001418696124 922366726 /nfs/dbraw/zinc/36/67/26/922366726.db2.gz ZIIRQUJUXFVCQV-NWDGAFQWSA-N 2 2 280.372 0.425 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001418696124 922366728 /nfs/dbraw/zinc/36/67/28/922366728.db2.gz ZIIRQUJUXFVCQV-NWDGAFQWSA-N 2 2 280.372 0.425 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@@H+]1C[C@@H](C)O ZINC001418753270 922409098 /nfs/dbraw/zinc/40/90/98/922409098.db2.gz AYZLXFUUMWVLFN-HZSPNIEDSA-N 2 2 294.399 0.623 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@H+]1C[C@@H](C)O ZINC001418753270 922409109 /nfs/dbraw/zinc/40/91/09/922409109.db2.gz AYZLXFUUMWVLFN-HZSPNIEDSA-N 2 2 294.399 0.623 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001341506793 922520023 /nfs/dbraw/zinc/52/00/23/922520023.db2.gz BNRXKHLTRGPSFC-WRWGMCAJSA-N 2 2 260.341 0.486 20 0 CCADLP CC(C)[NH+]1CCN(CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001419145627 922664046 /nfs/dbraw/zinc/66/40/46/922664046.db2.gz XIACAUSDUMZTES-UHFFFAOYSA-N 2 2 293.415 0.105 20 0 CCADLP [NH3+][C@H](CC(=O)NCC[C@@H]1CSCC[NH2+]1)C(F)F ZINC001341991276 922754441 /nfs/dbraw/zinc/75/44/41/922754441.db2.gz ZNYNHNJPDQRFBR-HTQZYQBOSA-N 2 2 267.345 0.180 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](CCO)C1 ZINC001419627099 922956543 /nfs/dbraw/zinc/95/65/43/922956543.db2.gz OHPTUELPUICTBY-DGCLKSJQSA-N 2 2 294.399 0.470 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CCO)C1 ZINC001419627099 922956556 /nfs/dbraw/zinc/95/65/56/922956556.db2.gz OHPTUELPUICTBY-DGCLKSJQSA-N 2 2 294.399 0.470 20 0 CCADLP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1nccn1C ZINC001420174347 923366564 /nfs/dbraw/zinc/36/65/64/923366564.db2.gz ZOKRDWMSOPXTJY-LBPRGKRZSA-N 2 2 290.371 0.301 20 0 CCADLP C[N@H+](CCNC(=O)Cn1cc[nH+]c1)CC[C@@H]1CCOC1 ZINC001420361717 923578216 /nfs/dbraw/zinc/57/82/16/923578216.db2.gz KHJPUGPAUUJUKY-CYBMUJFWSA-N 2 2 280.372 0.358 20 0 CCADLP C[N@@H+](CCNC(=O)Cn1cc[nH+]c1)CC[C@@H]1CCOC1 ZINC001420361717 923578221 /nfs/dbraw/zinc/57/82/21/923578221.db2.gz KHJPUGPAUUJUKY-CYBMUJFWSA-N 2 2 280.372 0.358 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)[nH]1 ZINC001420455756 923682881 /nfs/dbraw/zinc/68/28/81/923682881.db2.gz HHQSCGZWERYBIP-JBLDHEPKSA-N 2 2 294.403 0.363 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)[nH]1 ZINC001420455756 923682891 /nfs/dbraw/zinc/68/28/91/923682891.db2.gz HHQSCGZWERYBIP-JBLDHEPKSA-N 2 2 294.403 0.363 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)C1CC([NH2+]C)C1 ZINC001344811751 923693014 /nfs/dbraw/zinc/69/30/14/923693014.db2.gz KIOGIPRTMNEOGM-OTTFEQOBSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@H](O)CCC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001420508914 923724368 /nfs/dbraw/zinc/72/43/68/923724368.db2.gz WEEAYSPULCADHQ-UONOGXRCSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@H](O)CCC[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001420508914 923724379 /nfs/dbraw/zinc/72/43/79/923724379.db2.gz WEEAYSPULCADHQ-UONOGXRCSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@H](O)CCC[N@@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001420508910 923726148 /nfs/dbraw/zinc/72/61/48/923726148.db2.gz WEEAYSPULCADHQ-KBPBESRZSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@H](O)CCC[N@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001420508910 923726164 /nfs/dbraw/zinc/72/61/64/923726164.db2.gz WEEAYSPULCADHQ-KBPBESRZSA-N 2 2 294.399 0.625 20 0 CCADLP Cn1c[nH+]cc1CN1CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001420901665 924008999 /nfs/dbraw/zinc/00/89/99/924008999.db2.gz JOEUROAFQWBFBP-ZDUSSCGKSA-N 2 2 291.399 0.206 20 0 CCADLP CCCC[NH+]1CC(N(C)C(=O)CC[NH+]2CCOCC2)C1 ZINC001421080922 924138503 /nfs/dbraw/zinc/13/85/03/924138503.db2.gz GRWKHHIYEZVRTA-UHFFFAOYSA-N 2 2 283.416 0.651 20 0 CCADLP C[C@@H](O)CCC[NH+]1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001421170417 924187053 /nfs/dbraw/zinc/18/70/53/924187053.db2.gz LNDYXFLGQRHZAI-LLVKDONJSA-N 2 2 280.372 0.161 20 0 CCADLP CCN(CC1CC1)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001346570744 924266514 /nfs/dbraw/zinc/26/65/14/924266514.db2.gz SZXOVINSGPPTTH-UHFFFAOYSA-N 2 2 268.405 0.851 20 0 CCADLP C[NH2+][C@H](C)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001347099214 924371616 /nfs/dbraw/zinc/37/16/16/924371616.db2.gz ULUXXGGJHWDYML-MNOVXSKESA-N 2 2 250.346 0.560 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)[C@@H](C)n2cc[nH+]c2)CC[NH2+]1 ZINC001347896768 924556304 /nfs/dbraw/zinc/55/63/04/924556304.db2.gz ZQALOTMVHMCCDJ-NEPJUHHUSA-N 2 2 250.346 0.901 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCN(c2cnn(C)c2)C1 ZINC001350958347 925323389 /nfs/dbraw/zinc/32/33/89/925323389.db2.gz SKOGJUJNPXGHED-SGMGOOAPSA-N 2 2 263.389 0.729 20 0 CCADLP C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001352986771 925691201 /nfs/dbraw/zinc/69/12/01/925691201.db2.gz BZLUYVVJDDVSCA-SNVBAGLBSA-N 2 2 250.346 0.898 20 0 CCADLP COCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001353062976 925720690 /nfs/dbraw/zinc/72/06/90/925720690.db2.gz IOJDFGPIHUFBKD-GHMZBOCLSA-N 2 2 266.345 0.480 20 0 CCADLP C[C@H](C[NH2+]C[C@H](O)C1(O)CCC1)Cn1cc[nH+]c1 ZINC001353278512 925780200 /nfs/dbraw/zinc/78/02/00/925780200.db2.gz SHHXTTQGKSQJRM-NEPJUHHUSA-N 2 2 253.346 0.385 20 0 CCADLP CC(C)CONC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001353377213 925816605 /nfs/dbraw/zinc/81/66/05/925816605.db2.gz IPIJGYXTWLTTMN-UHFFFAOYSA-N 2 2 258.366 0.296 20 0 CCADLP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1nncs1)[NH+](C)C ZINC001480486814 925832111 /nfs/dbraw/zinc/83/21/11/925832111.db2.gz PHUDYBKFRHOREI-VHSXEESVSA-N 2 2 285.417 0.473 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNc1cc[nH+]c(N)n1 ZINC001354257754 926060029 /nfs/dbraw/zinc/06/00/29/926060029.db2.gz SJHMISLEYQESDG-JTQLQIEISA-N 2 2 251.334 0.582 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNc1cc[nH+]c(N)n1 ZINC001354257754 926060035 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CC[N@@H+]1CCC[C@H]([NH2+]CCC(=O)NCCC(=O)OC)C1 ZINC001423374531 927831486 /nfs/dbraw/zinc/83/14/86/927831486.db2.gz GKPLLBVLPQJDSY-LBPRGKRZSA-N 2 2 285.388 0.130 20 0 CCADLP CC[N@H+]1CCC[C@H]([NH2+]CCC(=O)NCCC(=O)OC)C1 ZINC001423374531 927831495 /nfs/dbraw/zinc/83/14/95/927831495.db2.gz GKPLLBVLPQJDSY-LBPRGKRZSA-N 2 2 285.388 0.130 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N(C)C[C@@H](O)C[NH2+]C(C)C ZINC001423443951 927862088 /nfs/dbraw/zinc/86/20/88/927862088.db2.gz HCLXVKARWTVOFR-ZDUSSCGKSA-N 2 2 295.383 0.450 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001423506993 927898401 /nfs/dbraw/zinc/89/84/01/927898401.db2.gz RXGHTYBPHONWSM-YNEHKIRRSA-N 2 2 294.399 0.673 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001423506993 927898410 /nfs/dbraw/zinc/89/84/10/927898410.db2.gz RXGHTYBPHONWSM-YNEHKIRRSA-N 2 2 294.399 0.673 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001423506993 927898418 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PYGWRKQZNCMRBK-CQSZACIVSA-N 2 2 294.399 0.580 20 0 CCADLP CCC[N@@H+]1CCO[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001444493616 929885026 /nfs/dbraw/zinc/88/50/26/929885026.db2.gz ZIDZENBFVVRHEM-CQSZACIVSA-N 2 2 294.399 0.580 20 0 CCADLP CCC[N@H+]1CCO[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001444493616 929885033 /nfs/dbraw/zinc/88/50/33/929885033.db2.gz ZIDZENBFVVRHEM-CQSZACIVSA-N 2 2 294.399 0.580 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N(C)CC[N@@H+](C)C[C@@H](C)O)c[nH+]1 ZINC001444994459 929996083 /nfs/dbraw/zinc/99/60/83/929996083.db2.gz NTDPHNSHAFYDRZ-CYBMUJFWSA-N 2 2 296.415 0.698 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N(C)CC[N@H+](C)C[C@@H](C)O)c[nH+]1 ZINC001444994459 929996087 /nfs/dbraw/zinc/99/60/87/929996087.db2.gz NTDPHNSHAFYDRZ-CYBMUJFWSA-N 2 2 296.415 0.698 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H](O)C[NH2+]CC1CCC1 ZINC001445198237 930063021 /nfs/dbraw/zinc/06/30/21/930063021.db2.gz KOBSIAVGZPRDBJ-CYBMUJFWSA-N 2 2 280.372 0.209 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H](O)C[NH2+]CC1CCC1 ZINC001445198237 930063033 /nfs/dbraw/zinc/06/30/33/930063033.db2.gz KOBSIAVGZPRDBJ-CYBMUJFWSA-N 2 2 280.372 0.209 20 0 CCADLP CCc1nnc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C)o1 ZINC001445428619 930131782 /nfs/dbraw/zinc/13/17/82/930131782.db2.gz YSYHVAYLCPTUIG-GHMZBOCLSA-N 2 2 297.403 0.739 20 0 CCADLP C[C@H](C[NH2+]Cc1ccns1)NC(=O)Cc1c[nH+]cn1C ZINC001445476492 930141985 /nfs/dbraw/zinc/14/19/85/930141985.db2.gz RYXUNDGEAFVAEC-SNVBAGLBSA-N 2 2 293.396 0.714 20 0 CCADLP CC(C)C[C@H](C(=O)N[C@H](C)C[N@H+](C)CCO)n1cc[nH+]c1 ZINC001445742493 930235987 /nfs/dbraw/zinc/23/59/87/930235987.db2.gz CNFUTWIOVNLHBH-ZIAGYGMSSA-N 2 2 296.415 0.899 20 0 CCADLP CC(C)C[C@H](C(=O)N[C@H](C)C[N@@H+](C)CCO)n1cc[nH+]c1 ZINC001445742493 930235997 /nfs/dbraw/zinc/23/59/97/930235997.db2.gz CNFUTWIOVNLHBH-ZIAGYGMSSA-N 2 2 296.415 0.899 20 0 CCADLP CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001446755378 930476158 /nfs/dbraw/zinc/47/61/58/930476158.db2.gz GORIQMRYWPMYIP-DOMZBBRYSA-N 2 2 292.383 0.018 20 0 CCADLP CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001446755378 930476168 /nfs/dbraw/zinc/47/61/68/930476168.db2.gz GORIQMRYWPMYIP-DOMZBBRYSA-N 2 2 292.383 0.018 20 0 CCADLP CC[N@H+](C)CCC(=O)NCC1(O)C[NH+](CC[C@H](C)F)C1 ZINC001446905798 930513681 /nfs/dbraw/zinc/51/36/81/930513681.db2.gz OSGAKOROCXAGQI-LBPRGKRZSA-N 2 2 289.395 0.239 20 0 CCADLP CC[N@@H+](C)CCC(=O)NCC1(O)C[NH+](CC[C@H](C)F)C1 ZINC001446905798 930513693 /nfs/dbraw/zinc/51/36/93/930513693.db2.gz OSGAKOROCXAGQI-LBPRGKRZSA-N 2 2 289.395 0.239 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H](O)C[NH2+]Cc1ccccc1 ZINC001374675338 930614483 /nfs/dbraw/zinc/61/44/83/930614483.db2.gz IAGDGRWHIBXHAB-AWEZNQCLSA-N 2 2 288.351 0.150 20 0 CCADLP C[C@H](C[NH2+]Cc1cnns1)NC(=O)Cc1c[nH+]cn1C ZINC001374834607 930686148 /nfs/dbraw/zinc/68/61/48/930686148.db2.gz YGYQLANMMOWAPP-SECBINFHSA-N 2 2 294.384 0.109 20 0 CCADLP CC[C@@H](C[N@H+](C)[C@H](C)CNC(=O)Cc1c[nH+]cn1C)OC ZINC001448127831 930825306 /nfs/dbraw/zinc/82/53/06/930825306.db2.gz BDTSTBITFVNSHV-OCCSQVGLSA-N 2 2 296.415 0.824 20 0 CCADLP CC[C@@H](C[N@@H+](C)[C@H](C)CNC(=O)Cc1c[nH+]cn1C)OC ZINC001448127831 930825323 /nfs/dbraw/zinc/82/53/23/930825323.db2.gz BDTSTBITFVNSHV-OCCSQVGLSA-N 2 2 296.415 0.824 20 0 CCADLP CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001375622690 930934225 /nfs/dbraw/zinc/93/42/25/930934225.db2.gz ROVVZDDXKLMODW-CQSZACIVSA-N 2 2 294.399 0.578 20 0 CCADLP CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001375622690 930934232 /nfs/dbraw/zinc/93/42/32/930934232.db2.gz ROVVZDDXKLMODW-CQSZACIVSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@@H](CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2)[NH2+]CCO ZINC001448646692 930936362 /nfs/dbraw/zinc/93/63/62/930936362.db2.gz IGHQXUSHNLOZSL-LBPRGKRZSA-N 2 2 294.399 0.191 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C)[nH]1 ZINC001448665471 930941654 /nfs/dbraw/zinc/94/16/54/930941654.db2.gz VDTANJFVFWLEBQ-PWSUYJOCSA-N 2 2 294.403 0.144 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCC[N@H+]2C)[nH]1 ZINC001448665471 930941662 /nfs/dbraw/zinc/94/16/62/930941662.db2.gz VDTANJFVFWLEBQ-PWSUYJOCSA-N 2 2 294.403 0.144 20 0 CCADLP Cc1noc(C[NH2+][C@@H](C)CN(C)C(=O)CCC[NH+](C)C)n1 ZINC001448739991 930965588 /nfs/dbraw/zinc/96/55/88/930965588.db2.gz ROXACRVPISDIRJ-NSHDSACASA-N 2 2 297.403 0.656 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@]2(C)CC[NH+](CCF)C2)C1 ZINC001375844451 930989518 /nfs/dbraw/zinc/98/95/18/930989518.db2.gz PMYXQSOEOUHVOV-OCCSQVGLSA-N 2 2 271.380 0.878 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@]2(C)CC[NH+](CCF)C2)C1 ZINC001375844451 930989523 /nfs/dbraw/zinc/98/95/23/930989523.db2.gz PMYXQSOEOUHVOV-OCCSQVGLSA-N 2 2 271.380 0.878 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@]2(C)CC[N@H+](CCF)C2)C1 ZINC001375844451 930989529 /nfs/dbraw/zinc/98/95/29/930989529.db2.gz PMYXQSOEOUHVOV-OCCSQVGLSA-N 2 2 271.380 0.878 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@]2(C)CC[N@@H+](CCF)C2)C1 ZINC001375844451 930989533 /nfs/dbraw/zinc/98/95/33/930989533.db2.gz PMYXQSOEOUHVOV-OCCSQVGLSA-N 2 2 271.380 0.878 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@]1(C)CC[N@H+](CCO)C1 ZINC001375845168 930990524 /nfs/dbraw/zinc/99/05/24/930990524.db2.gz CLQMBWPIUWLZQI-RISCZKNCSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@]1(C)CC[N@@H+](CCO)C1 ZINC001375845168 930990532 /nfs/dbraw/zinc/99/05/32/930990532.db2.gz CLQMBWPIUWLZQI-RISCZKNCSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@]1(C)CC[N@H+](CCO)C1 ZINC001375845168 930990539 /nfs/dbraw/zinc/99/05/39/930990539.db2.gz CLQMBWPIUWLZQI-RISCZKNCSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@]1(C)CC[N@@H+](CCO)C1 ZINC001375845168 930990546 /nfs/dbraw/zinc/99/05/46/930990546.db2.gz CLQMBWPIUWLZQI-RISCZKNCSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@H](O)C[NH+]1CCC(N(C)C(=O)CCn2cc[nH+]c2)CC1 ZINC001376022567 931027514 /nfs/dbraw/zinc/02/75/14/931027514.db2.gz BXLCKSQHFCIGSC-ZDUSSCGKSA-N 2 2 294.399 0.577 20 0 CCADLP CC(C)(C)CC[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001448952461 931035376 /nfs/dbraw/zinc/03/53/76/931035376.db2.gz JCRRPVRCIDLWGZ-LBPRGKRZSA-N 2 2 282.388 0.386 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC001449074254 931062595 /nfs/dbraw/zinc/06/25/95/931062595.db2.gz FLZUOFBHXBSCKI-CHWSQXEVSA-N 2 2 294.399 0.745 20 0 CCADLP C[NH+](C)CCC(=O)NC[C@H]([NH2+]Cc1cnsn1)C1CC1 ZINC001376246574 931103093 /nfs/dbraw/zinc/10/30/93/931103093.db2.gz YPNOOXQMEPZPSK-LBPRGKRZSA-N 2 2 297.428 0.474 20 0 CCADLP COC[C@H](C)[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001449395833 931137399 /nfs/dbraw/zinc/13/73/99/931137399.db2.gz XGPJEVARVHKPCA-ZBOXLXRLSA-N 2 2 280.372 0.566 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C)[nH]1 ZINC001376763911 931264107 /nfs/dbraw/zinc/26/41/07/931264107.db2.gz NUCSEKOMRDZFLN-JQWIXIFHSA-N 2 2 294.403 0.192 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCCC[N@H+]2C)[nH]1 ZINC001376763911 931264115 /nfs/dbraw/zinc/26/41/15/931264115.db2.gz NUCSEKOMRDZFLN-JQWIXIFHSA-N 2 2 294.403 0.192 20 0 CCADLP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC001376804479 931281278 /nfs/dbraw/zinc/28/12/78/931281278.db2.gz WESSJKODGFLZOX-NWDGAFQWSA-N 2 2 294.399 0.598 20 0 CCADLP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC001376804479 931281286 /nfs/dbraw/zinc/28/12/86/931281286.db2.gz WESSJKODGFLZOX-NWDGAFQWSA-N 2 2 294.399 0.598 20 0 CCADLP CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1nc(C)no1)[NH+](C)C ZINC001376850150 931304543 /nfs/dbraw/zinc/30/45/43/931304543.db2.gz ATNCJYXJGNIAFL-ONGXEEELSA-N 2 2 283.376 0.313 20 0 CCADLP Cc1nocc1C[NH2+][C@H](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001377068637 931373758 /nfs/dbraw/zinc/37/37/58/931373758.db2.gz BOJASYDMUNCRCQ-SNVBAGLBSA-N 2 2 291.355 0.933 20 0 CCADLP C[NH+](C)CCC[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000094635040 282087416 /nfs/dbraw/zinc/08/74/16/282087416.db2.gz VAYUREIKHKCDLG-NEPJUHHUSA-N 2 2 262.419 0.884 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[N@H+](CCC(=O)OC)[C@H](C)C1 ZINC000337440190 214082566 /nfs/dbraw/zinc/08/25/66/214082566.db2.gz CWBYCMFQDREQRG-CYBMUJFWSA-N 2 2 299.415 0.424 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[N@@H+](CCC(=O)OC)[C@H](C)C1 ZINC000337440190 214082568 /nfs/dbraw/zinc/08/25/68/214082568.db2.gz CWBYCMFQDREQRG-CYBMUJFWSA-N 2 2 299.415 0.424 20 0 CCADLP C[NH+]1CCC(C(=O)N2CC[NH2+][C@@H](c3cccnc3)C2)CC1 ZINC000337574968 214163906 /nfs/dbraw/zinc/16/39/06/214163906.db2.gz FOSHNOLKQHEBRS-OAHLLOKOSA-N 2 2 288.395 0.896 20 0 CCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000083018434 178334539 /nfs/dbraw/zinc/33/45/39/178334539.db2.gz PHGYRMCWCZCSSM-CYBMUJFWSA-N 2 2 279.388 0.866 20 0 CCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000083018434 178334541 /nfs/dbraw/zinc/33/45/41/178334541.db2.gz PHGYRMCWCZCSSM-CYBMUJFWSA-N 2 2 279.388 0.866 20 0 CCADLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)N2CCNC2=O)CC1 ZINC000337692258 214220047 /nfs/dbraw/zinc/22/00/47/214220047.db2.gz VOOBSKSQHXAAEB-UHFFFAOYSA-N 2 2 282.388 0.343 20 0 CCADLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)N2CCNC2=O)CC1 ZINC000337692258 214220050 /nfs/dbraw/zinc/22/00/50/214220050.db2.gz VOOBSKSQHXAAEB-UHFFFAOYSA-N 2 2 282.388 0.343 20 0 CCADLP C[NH+](C)C[C@@](C)(O)CNc1cc(NC2CC2)nc[nH+]1 ZINC000413209940 282130799 /nfs/dbraw/zinc/13/07/99/282130799.db2.gz UTASSWVKZQDCDP-ZDUSSCGKSA-N 2 2 265.361 0.775 20 0 CCADLP C[NH+](C)C[C@@](C)(O)CNc1cc(NC2CC2)[nH+]cn1 ZINC000413209940 282130801 /nfs/dbraw/zinc/13/08/01/282130801.db2.gz UTASSWVKZQDCDP-ZDUSSCGKSA-N 2 2 265.361 0.775 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)NC(=O)NC2CCCC2)CC[C@@H]1[NH3+] ZINC000094341873 349567372 /nfs/dbraw/zinc/56/73/72/349567372.db2.gz VAUPZKJAKKDTPT-JQWIXIFHSA-N 2 2 282.388 0.424 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)NC(=O)NC2CCCC2)CC[C@@H]1[NH3+] ZINC000094341873 349567377 /nfs/dbraw/zinc/56/73/77/349567377.db2.gz VAUPZKJAKKDTPT-JQWIXIFHSA-N 2 2 282.388 0.424 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@@H]([NH3+])C2CC2)CCO1 ZINC000418498874 529391536 /nfs/dbraw/zinc/39/15/36/529391536.db2.gz MUHQJROTFSZDPC-CHWSQXEVSA-N 2 2 284.404 0.134 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H]([NH3+])C2CC2)CCO1 ZINC000418498874 529391538 /nfs/dbraw/zinc/39/15/38/529391538.db2.gz MUHQJROTFSZDPC-CHWSQXEVSA-N 2 2 284.404 0.134 20 0 CCADLP CC(C)C[NH+]1CCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000338049658 214376954 /nfs/dbraw/zinc/37/69/54/214376954.db2.gz KCCRQDYQLCMLSP-OAHLLOKOSA-N 2 2 296.459 0.423 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC1CC[NH+](C)CC1 ZINC000101761968 349669559 /nfs/dbraw/zinc/66/95/59/349669559.db2.gz KZLIIZQBPSKXFK-LBPRGKRZSA-N 2 2 279.388 0.913 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000423762685 529464393 /nfs/dbraw/zinc/46/43/93/529464393.db2.gz SYYJVKXTAJCSRZ-MCIONIFRSA-N 2 2 281.400 0.354 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000423762685 529464394 /nfs/dbraw/zinc/46/43/94/529464394.db2.gz SYYJVKXTAJCSRZ-MCIONIFRSA-N 2 2 281.400 0.354 20 0 CCADLP C[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000342426461 300375652 /nfs/dbraw/zinc/37/56/52/300375652.db2.gz ZMTREZCVXFLXPL-JQWIXIFHSA-N 2 2 283.397 0.670 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000493044531 529552362 /nfs/dbraw/zinc/55/23/62/529552362.db2.gz HORIDFCMSFSFEU-HNFMAKEJSA-N 2 2 290.367 0.506 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)NCCCN1CC[NH2+]CC1 ZINC000493309905 529553306 /nfs/dbraw/zinc/55/33/06/529553306.db2.gz ZICRIWCWEZVMQB-SNAWJCMRSA-N 2 2 291.399 0.328 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+]([C@H](C)C(=O)N(C)C)CC2)c1 ZINC000104963863 349719977 /nfs/dbraw/zinc/71/99/77/349719977.db2.gz FPSHBDINSNBFGG-GFCCVEGCSA-N 2 2 292.383 0.689 20 0 CCADLP C[C@H](C(=O)N1CCCCC1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107578859 349738818 /nfs/dbraw/zinc/73/88/18/349738818.db2.gz HWKIYVBTLCDVDU-JHJVBQTASA-N 2 2 251.374 0.539 20 0 CCADLP C[C@@H]([NH3+])C1CC[NH+](Cc2nc(N)nc(N(C)C)n2)CC1 ZINC000110649114 349761567 /nfs/dbraw/zinc/76/15/67/349761567.db2.gz XRRIHZXCQVIRNY-SECBINFHSA-N 2 2 279.392 0.079 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)CC[NH+]1CCCC1 ZINC000112743242 349791458 /nfs/dbraw/zinc/79/14/58/349791458.db2.gz YFZWECYCKJANKL-AWEZNQCLSA-N 2 2 298.431 0.444 20 0 CCADLP [NH3+][C@H]1C[C@@H]2CN(c3[nH+]ccc4ccccc43)CCN2C1=O ZINC000600948659 362097147 /nfs/dbraw/zinc/09/71/47/362097147.db2.gz VEHOLVOUQMUWOX-OCCSQVGLSA-N 2 2 282.347 0.983 20 0 CCADLP CCC(CC)[C@@H](C(=O)NC[C@@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000342762049 282223477 /nfs/dbraw/zinc/22/34/77/282223477.db2.gz USDKGLFPIKZIBE-HIFRSBDPSA-N 2 2 297.443 0.849 20 0 CCADLP CCOC(=O)C1CC[NH+](Cc2cn([C@H](C)C[NH3+])nn2)CC1 ZINC000600971287 362108636 /nfs/dbraw/zinc/10/86/36/362108636.db2.gz VZEHWFULNNCUMH-LLVKDONJSA-N 2 2 295.387 0.573 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@H]2CCCC[NH+]2C)CCO1 ZINC000600983050 362115284 /nfs/dbraw/zinc/11/52/84/362115284.db2.gz PCRMLUJFTTZZGZ-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]2CCCC[NH+]2C)CCO1 ZINC000600983050 362115288 /nfs/dbraw/zinc/11/52/88/362115288.db2.gz PCRMLUJFTTZZGZ-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)[C@H]2CCCC[N@@H+]2C)CCO1 ZINC000600983050 362115291 /nfs/dbraw/zinc/11/52/91/362115291.db2.gz PCRMLUJFTTZZGZ-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)[C@H]2CCCC[N@H+]2C)CCO1 ZINC000600983050 362115297 /nfs/dbraw/zinc/11/52/97/362115297.db2.gz PCRMLUJFTTZZGZ-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)CCc2c[nH+]c[nH]2)[C@H](C)CO1 ZINC000617725156 365730644 /nfs/dbraw/zinc/73/06/44/365730644.db2.gz IBIAZQNFQHPGCS-VXGBXAGGSA-N 2 2 280.372 0.568 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)CCc2c[nH+]c[nH]2)[C@H](C)CO1 ZINC000617725156 365730650 /nfs/dbraw/zinc/73/06/50/365730650.db2.gz IBIAZQNFQHPGCS-VXGBXAGGSA-N 2 2 280.372 0.568 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)CCc2c[nH+]c[nH]2)[C@@H](C)CO1 ZINC000617725154 365732196 /nfs/dbraw/zinc/73/21/96/365732196.db2.gz IBIAZQNFQHPGCS-NWDGAFQWSA-N 2 2 280.372 0.568 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)CCc2c[nH+]c[nH]2)[C@@H](C)CO1 ZINC000617725154 365732197 /nfs/dbraw/zinc/73/21/97/365732197.db2.gz IBIAZQNFQHPGCS-NWDGAFQWSA-N 2 2 280.372 0.568 20 0 CCADLP C[C@H](NC(=O)N1CCC[C@@H]([NH3+])C1)[C@H](C)[NH+]1CCOCC1 ZINC000417531571 299093759 /nfs/dbraw/zinc/09/37/59/299093759.db2.gz ZDGXOTJIFDJTNE-RWMBFGLXSA-N 2 2 284.404 0.228 20 0 CCADLP COC(=O)CCN1CC[C@H]([N@@H+]2CCCCC[C@@H]([NH3+])C2)C1=O ZINC000601323592 362221047 /nfs/dbraw/zinc/22/10/47/362221047.db2.gz CKSAUELKTROAKS-OLZOCXBDSA-N 2 2 297.399 0.354 20 0 CCADLP COC(=O)CCN1CC[C@H]([N@H+]2CCCCC[C@@H]([NH3+])C2)C1=O ZINC000601323592 362221050 /nfs/dbraw/zinc/22/10/50/362221050.db2.gz CKSAUELKTROAKS-OLZOCXBDSA-N 2 2 297.399 0.354 20 0 CCADLP CCCCNC(=O)NC(=O)C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601334086 362231864 /nfs/dbraw/zinc/23/18/64/362231864.db2.gz XAOSYQWIYNMMAX-RISCZKNCSA-N 2 2 282.388 0.344 20 0 CCADLP C[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)[NH+]1CCOCC1 ZINC000164181175 231725260 /nfs/dbraw/zinc/72/52/60/231725260.db2.gz QANNKNOJUDABMG-GHMZBOCLSA-N 2 2 257.378 0.197 20 0 CCADLP CCOC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000113504470 349813254 /nfs/dbraw/zinc/81/32/54/349813254.db2.gz GPHAVIDMFXYOBL-CABCVRRESA-N 2 2 286.416 0.428 20 0 CCADLP CCOC[C@@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000113504470 349813256 /nfs/dbraw/zinc/81/32/56/349813256.db2.gz GPHAVIDMFXYOBL-CABCVRRESA-N 2 2 286.416 0.428 20 0 CCADLP CCOC[C@@H](O)C[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000113503833 349813439 /nfs/dbraw/zinc/81/34/39/349813439.db2.gz KFOIWRLIUBZBDJ-ZDUSSCGKSA-N 2 2 295.383 0.610 20 0 CCADLP Cc1c[nH]cc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617766988 365772988 /nfs/dbraw/zinc/77/29/88/365772988.db2.gz BMAWYLNBPDYVEC-UHFFFAOYSA-N 2 2 266.389 0.936 20 0 CCADLP Cc1c[nH]cc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617766988 365772992 /nfs/dbraw/zinc/77/29/92/365772992.db2.gz BMAWYLNBPDYVEC-UHFFFAOYSA-N 2 2 266.389 0.936 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccncc1 ZINC000617768480 365773134 /nfs/dbraw/zinc/77/31/34/365773134.db2.gz GBLBDMULJISIPR-UHFFFAOYSA-N 2 2 264.373 0.695 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccncc1 ZINC000617768480 365773142 /nfs/dbraw/zinc/77/31/42/365773142.db2.gz GBLBDMULJISIPR-UHFFFAOYSA-N 2 2 264.373 0.695 20 0 CCADLP Cc1noc(C)c1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617768611 365773356 /nfs/dbraw/zinc/77/33/56/365773356.db2.gz MGHXDEGWASYTTC-UHFFFAOYSA-N 2 2 282.388 0.905 20 0 CCADLP Cc1noc(C)c1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617768611 365773360 /nfs/dbraw/zinc/77/33/60/365773360.db2.gz MGHXDEGWASYTTC-UHFFFAOYSA-N 2 2 282.388 0.905 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc[nH]c1 ZINC000617766299 365771159 /nfs/dbraw/zinc/77/11/59/365771159.db2.gz FTSFBUYVYBZWQZ-UHFFFAOYSA-N 2 2 252.362 0.628 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc[nH]c1 ZINC000617766299 365771161 /nfs/dbraw/zinc/77/11/61/365771161.db2.gz FTSFBUYVYBZWQZ-UHFFFAOYSA-N 2 2 252.362 0.628 20 0 CCADLP C[NH+]1CCN(c2ncc(C[NH+]3CC4(CC4)C3)cn2)CC1 ZINC000449371104 529777951 /nfs/dbraw/zinc/77/79/51/529777951.db2.gz QHJACNBVAKXYLO-UHFFFAOYSA-N 2 2 273.384 0.824 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000126897640 187269174 /nfs/dbraw/zinc/26/91/74/187269174.db2.gz GVGQPNFQFUIUGH-OLZOCXBDSA-N 2 2 283.416 0.602 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCC2(O)CCOCC2)n1C ZINC000425385636 529809536 /nfs/dbraw/zinc/80/95/36/529809536.db2.gz RTINUTHWZMTFIE-UHFFFAOYSA-N 2 2 282.388 0.507 20 0 CCADLP CC(C)OC[C@@H](O)C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000115739239 349860567 /nfs/dbraw/zinc/86/05/67/349860567.db2.gz JAHITIUOHNBRRE-HNNXBMFYSA-N 2 2 288.432 0.551 20 0 CCADLP CC(C)OC[C@@H](O)C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000115739239 349860569 /nfs/dbraw/zinc/86/05/69/349860569.db2.gz JAHITIUOHNBRRE-HNNXBMFYSA-N 2 2 288.432 0.551 20 0 CCADLP C[N@H+](C[C@H](O)C[NH3+])[C@H]1CCN(c2ccccc2)C1=O ZINC000420350354 529959478 /nfs/dbraw/zinc/95/94/78/529959478.db2.gz GOZHVELNJSDOAX-OLZOCXBDSA-N 2 2 263.341 0.043 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH3+])[C@H]1CCN(c2ccccc2)C1=O ZINC000420350354 529959479 /nfs/dbraw/zinc/95/94/79/529959479.db2.gz GOZHVELNJSDOAX-OLZOCXBDSA-N 2 2 263.341 0.043 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000423862030 529979720 /nfs/dbraw/zinc/97/97/20/529979720.db2.gz FCSZIRAHNGHVBA-OCCSQVGLSA-N 2 2 283.416 0.411 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000423862030 529979722 /nfs/dbraw/zinc/97/97/22/529979722.db2.gz FCSZIRAHNGHVBA-OCCSQVGLSA-N 2 2 283.416 0.411 20 0 CCADLP C[NH2+]CCNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000418321251 529975733 /nfs/dbraw/zinc/97/57/33/529975733.db2.gz YDRHUUFTSZIEMH-UHFFFAOYSA-N 2 2 282.413 0.795 20 0 CCADLP C[NH+]1CCC(NC(=O)NC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000413038865 530050109 /nfs/dbraw/zinc/05/01/09/530050109.db2.gz GURNPLIGEPDKDH-UHFFFAOYSA-N 2 2 298.431 0.491 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](C)[NH+](C)C)[C@H](C)C1 ZINC000602133905 362512797 /nfs/dbraw/zinc/51/27/97/362512797.db2.gz UEKZXLVCCSGVNV-VXGBXAGGSA-N 2 2 285.388 0.032 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](C)[NH+](C)C)[C@H](C)C1 ZINC000602133905 362512802 /nfs/dbraw/zinc/51/28/02/362512802.db2.gz UEKZXLVCCSGVNV-VXGBXAGGSA-N 2 2 285.388 0.032 20 0 CCADLP Cn1cccc1C[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000119272175 349927656 /nfs/dbraw/zinc/92/76/56/349927656.db2.gz QXIMAIIRNRRRQN-UHFFFAOYSA-N 2 2 294.443 0.505 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000602503443 362648159 /nfs/dbraw/zinc/64/81/59/362648159.db2.gz JQMGMCNLGLUGNH-RYUDHWBXSA-N 2 2 285.388 0.080 20 0 CCADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)C3=CC[C@H]([NH3+])C3)C2)CC1 ZINC000602506276 362649454 /nfs/dbraw/zinc/64/94/54/362649454.db2.gz MPRXWOQFGFFAJT-LSDHHAIUSA-N 2 2 292.427 0.272 20 0 CCADLP Cc1nn(C)cc1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000119508130 349939153 /nfs/dbraw/zinc/93/91/53/349939153.db2.gz MEGMZZYGYZZSEI-UHFFFAOYSA-N 2 2 291.443 0.942 20 0 CCADLP Cc1ccc(CCC[NH2+]CCNS(C)(=O)=O)c[nH+]1 ZINC000684366778 545658315 /nfs/dbraw/zinc/65/83/15/545658315.db2.gz UICPORRQYDYSMD-UHFFFAOYSA-N 2 2 271.386 0.461 20 0 CCADLP CN(C)S(=O)(=O)CCC[N@H+](C)CCCn1cc[nH+]c1 ZINC000119744763 349951359 /nfs/dbraw/zinc/95/13/59/349951359.db2.gz FTRBMLXYHNXOHI-UHFFFAOYSA-N 2 2 288.417 0.487 20 0 CCADLP CN(C)S(=O)(=O)CCC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000119744763 349951360 /nfs/dbraw/zinc/95/13/60/349951360.db2.gz FTRBMLXYHNXOHI-UHFFFAOYSA-N 2 2 288.417 0.487 20 0 CCADLP Cc1cc[nH+]cc1N1CC[NH+](CC2(CO)COC2)CC1 ZINC000534093509 290804024 /nfs/dbraw/zinc/80/40/24/290804024.db2.gz QXXAZACEBNFKQJ-UHFFFAOYSA-N 2 2 277.368 0.521 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631756809 370657723 /nfs/dbraw/zinc/65/77/23/370657723.db2.gz UEAAQMSUPAWZNE-NSHDSACASA-N 2 2 286.401 0.285 20 0 CCADLP Cc1ncc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cn1 ZINC000339279748 215062308 /nfs/dbraw/zinc/06/23/08/215062308.db2.gz FEYWYZOHMALPHH-UHFFFAOYSA-N 2 2 289.427 0.998 20 0 CCADLP COC(=O)[C@@](C)([NH2+]CCc1c[nH+]cn1C)C1CC1 ZINC000602795872 362804951 /nfs/dbraw/zinc/80/49/51/362804951.db2.gz BRTOOHQAPAEMLA-ZDUSSCGKSA-N 2 2 251.330 0.894 20 0 CCADLP C[C@@H]1C[NH+](CCc2c[nH+]cn2C)C[C@@H](C)S1=O ZINC000602822808 362820290 /nfs/dbraw/zinc/82/02/90/362820290.db2.gz BKTLOKISQHRYTK-GHMZBOCLSA-N 2 2 255.387 0.804 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000618188981 365918749 /nfs/dbraw/zinc/91/87/49/365918749.db2.gz QUGKXOONSYOAKF-UHFFFAOYSA-N 2 2 276.384 0.782 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N2CCNC2=O)C[C@H]1n1cc[nH+]c1 ZINC000252745295 137003722 /nfs/dbraw/zinc/00/37/22/137003722.db2.gz OLZYLUXMRPKFBZ-NWDGAFQWSA-N 2 2 291.355 0.318 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N2CCNC2=O)C[C@H]1n1cc[nH+]c1 ZINC000252745295 137003723 /nfs/dbraw/zinc/00/37/23/137003723.db2.gz OLZYLUXMRPKFBZ-NWDGAFQWSA-N 2 2 291.355 0.318 20 0 CCADLP Brc1cnn(CC[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000261528760 137006876 /nfs/dbraw/zinc/00/68/76/137006876.db2.gz NMASIIIBAVFXHV-VIFPVBQESA-N 2 2 259.151 0.597 20 0 CCADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)N1CCCCC1 ZINC000261555915 137007947 /nfs/dbraw/zinc/00/79/47/137007947.db2.gz BSKWQHSYFGPASU-QWHCGFSZSA-N 2 2 251.374 0.683 20 0 CCADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)N1CCCCC1 ZINC000261555915 137007948 /nfs/dbraw/zinc/00/79/48/137007948.db2.gz BSKWQHSYFGPASU-QWHCGFSZSA-N 2 2 251.374 0.683 20 0 CCADLP O=c1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc2ccccn12 ZINC000261595919 137011386 /nfs/dbraw/zinc/01/13/86/137011386.db2.gz AABORFKWNGKMSK-CHWSQXEVSA-N 2 2 284.363 0.736 20 0 CCADLP O=c1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc2ccccn12 ZINC000261595919 137011387 /nfs/dbraw/zinc/01/13/87/137011387.db2.gz AABORFKWNGKMSK-CHWSQXEVSA-N 2 2 284.363 0.736 20 0 CCADLP c1c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)nc2ncccn12 ZINC000261610960 137012334 /nfs/dbraw/zinc/01/23/34/137012334.db2.gz SKMPROOMGLKQFB-NEPJUHHUSA-N 2 2 257.341 0.771 20 0 CCADLP c1c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)nc2ncccn12 ZINC000261610960 137012335 /nfs/dbraw/zinc/01/23/35/137012335.db2.gz SKMPROOMGLKQFB-NEPJUHHUSA-N 2 2 257.341 0.771 20 0 CCADLP COc1c(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(C)nn1C ZINC000261645421 137013370 /nfs/dbraw/zinc/01/33/70/137013370.db2.gz XLZOJSQJZBDNRO-CQSZACIVSA-N 2 2 264.373 0.923 20 0 CCADLP COc1c(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(C)nn1C ZINC000261645421 137013371 /nfs/dbraw/zinc/01/33/71/137013371.db2.gz XLZOJSQJZBDNRO-CQSZACIVSA-N 2 2 264.373 0.923 20 0 CCADLP COC(=O)c1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)o1 ZINC000261659354 137014656 /nfs/dbraw/zinc/01/46/56/137014656.db2.gz KKXVUHXHQLMRDP-GFCCVEGCSA-N 2 2 293.367 0.546 20 0 CCADLP C[NH2+][C@@H](C(=O)N[C@@H](C)Cn1cc[nH+]c1)c1cnn(C)c1 ZINC000262370256 137040563 /nfs/dbraw/zinc/04/05/63/137040563.db2.gz LPXWFDNSIUCJFW-CMPLNLGQSA-N 2 2 276.344 0.082 20 0 CCADLP C[C@@H]([NH3+])CC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000262367822 137040720 /nfs/dbraw/zinc/04/07/20/137040720.db2.gz WHGHPOMYZAEFON-VXGBXAGGSA-N 2 2 264.373 0.939 20 0 CCADLP C[C@H](C(=O)NCCc1cn2ccccc2[nH+]1)C1C[NH2+]C1 ZINC000262470622 137044722 /nfs/dbraw/zinc/04/47/22/137044722.db2.gz YIBDFDUZAZCSQG-NSHDSACASA-N 2 2 272.352 0.849 20 0 CCADLP C[C@@H]1CN(C(=O)C2([NH3+])CCCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000262651754 137049218 /nfs/dbraw/zinc/04/92/18/137049218.db2.gz RMPSSWHZJWYUOS-KGLIPLIRSA-N 2 2 295.427 0.827 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000262691682 137050467 /nfs/dbraw/zinc/05/04/67/137050467.db2.gz ANQCIQCTWTXYJT-UMVBOHGHSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261833536 137022099 /nfs/dbraw/zinc/02/20/99/137022099.db2.gz ZBFJKXDTVHQJOU-GWCFXTLKSA-N 2 2 263.345 0.474 20 0 CCADLP C[C@@H](C(=O)Nc1ncccn1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261833536 137022100 /nfs/dbraw/zinc/02/21/00/137022100.db2.gz ZBFJKXDTVHQJOU-GWCFXTLKSA-N 2 2 263.345 0.474 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261863373 137022807 /nfs/dbraw/zinc/02/28/07/137022807.db2.gz RMYMVZBMSSYKIJ-UHFFFAOYSA-N 2 2 262.357 0.875 20 0 CCADLP O=C1c2ccccc2C(=O)N1CC[NH2+][C@@H]1CC[NH2+]C1 ZINC000262174166 137029373 /nfs/dbraw/zinc/02/93/73/137029373.db2.gz QOIOLGBREXJNEE-SNVBAGLBSA-N 2 2 259.309 0.234 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000262250323 137032628 /nfs/dbraw/zinc/03/26/28/137032628.db2.gz IPDNELKMJADZME-HKGGGCDWSA-N 2 2 295.427 0.587 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000262250323 137032629 /nfs/dbraw/zinc/03/26/29/137032629.db2.gz IPDNELKMJADZME-HKGGGCDWSA-N 2 2 295.427 0.587 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000312256125 137076742 /nfs/dbraw/zinc/07/67/42/137076742.db2.gz NQCJDDFBUWCVJU-CQSZACIVSA-N 2 2 282.388 0.298 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000312256125 137076743 /nfs/dbraw/zinc/07/67/43/137076743.db2.gz NQCJDDFBUWCVJU-CQSZACIVSA-N 2 2 282.388 0.298 20 0 CCADLP Cn1c[nH+]cc1C[NH2+]CC(=O)NCC(F)(F)F ZINC000340172996 137084387 /nfs/dbraw/zinc/08/43/87/137084387.db2.gz DIEFEAUHEFOEHU-UHFFFAOYSA-N 2 2 250.224 0.188 20 0 CCADLP CC[N@@H+]1CCN(c2cc[nH+]c(N3CCOCC3)n2)[C@H](C)C1 ZINC000343265960 137123574 /nfs/dbraw/zinc/12/35/74/137123574.db2.gz PPKLEVHYSQJRLD-CYBMUJFWSA-N 2 2 291.399 0.844 20 0 CCADLP CC[N@H+]1CCN(c2cc[nH+]c(N3CCOCC3)n2)[C@H](C)C1 ZINC000343265960 137123575 /nfs/dbraw/zinc/12/35/75/137123575.db2.gz PPKLEVHYSQJRLD-CYBMUJFWSA-N 2 2 291.399 0.844 20 0 CCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)CCO ZINC000343627806 137146225 /nfs/dbraw/zinc/14/62/25/137146225.db2.gz ULFFACLCCQCUDB-ZDUSSCGKSA-N 2 2 292.383 0.043 20 0 CCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)CCO ZINC000343627806 137146226 /nfs/dbraw/zinc/14/62/26/137146226.db2.gz ULFFACLCCQCUDB-ZDUSSCGKSA-N 2 2 292.383 0.043 20 0 CCADLP CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000343641796 137147047 /nfs/dbraw/zinc/14/70/47/137147047.db2.gz OTEIBUGQTJASSU-BXUZGUMPSA-N 2 2 297.424 0.634 20 0 CCADLP CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000343641796 137147048 /nfs/dbraw/zinc/14/70/48/137147048.db2.gz OTEIBUGQTJASSU-BXUZGUMPSA-N 2 2 297.424 0.634 20 0 CCADLP CN(CCC[N@H+](C)Cc1c[nH]cn1)CC[NH+](C)C ZINC000344076896 137175656 /nfs/dbraw/zinc/17/56/56/137175656.db2.gz WCEWQLUWEWPAOV-UHFFFAOYSA-N 2 2 253.394 0.725 20 0 CCADLP CN(CCC[N@@H+](C)Cc1c[nH]cn1)CC[NH+](C)C ZINC000344076896 137175657 /nfs/dbraw/zinc/17/56/57/137175657.db2.gz WCEWQLUWEWPAOV-UHFFFAOYSA-N 2 2 253.394 0.725 20 0 CCADLP CCC[N@H+](CCN1CC[NH+](CC)CC1)[C@H](C)C(=O)OC ZINC000344129982 137178951 /nfs/dbraw/zinc/17/89/51/137178951.db2.gz MEJMLNUIHYKOND-CQSZACIVSA-N 2 2 285.432 0.897 20 0 CCADLP CCC[N@@H+](CCN1CC[NH+](CC)CC1)[C@H](C)C(=O)OC ZINC000344129982 137178952 /nfs/dbraw/zinc/17/89/52/137178952.db2.gz MEJMLNUIHYKOND-CQSZACIVSA-N 2 2 285.432 0.897 20 0 CCADLP OC[C@H](O)C[N@H+](CCCn1cc[nH+]c1)CCC(F)(F)F ZINC000343314364 137127159 /nfs/dbraw/zinc/12/71/59/137127159.db2.gz MYYOLJQXMZXGFZ-LLVKDONJSA-N 2 2 295.305 0.881 20 0 CCADLP OC[C@H](O)C[N@@H+](CCCn1cc[nH+]c1)CCC(F)(F)F ZINC000343314364 137127160 /nfs/dbraw/zinc/12/71/60/137127160.db2.gz MYYOLJQXMZXGFZ-LLVKDONJSA-N 2 2 295.305 0.881 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000343362385 137131420 /nfs/dbraw/zinc/13/14/20/137131420.db2.gz SWQZPUGMTAXIQY-LBPRGKRZSA-N 2 2 278.356 0.240 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000343362385 137131421 /nfs/dbraw/zinc/13/14/21/137131421.db2.gz SWQZPUGMTAXIQY-LBPRGKRZSA-N 2 2 278.356 0.240 20 0 CCADLP Cn1cccc1C[NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC000343400086 137132242 /nfs/dbraw/zinc/13/22/42/137132242.db2.gz YTXSUMWGPOIQOC-IUODEOHRSA-N 2 2 287.367 0.868 20 0 CCADLP C[C@@H](CNC(=O)C1(C[NH3+])CCOCC1)Cn1cc[nH+]c1 ZINC000344486280 137196912 /nfs/dbraw/zinc/19/69/12/137196912.db2.gz ZAWQRQJLVGTVQD-LBPRGKRZSA-N 2 2 280.372 0.391 20 0 CCADLP C[NH+](C)CC1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000339370786 215130597 /nfs/dbraw/zinc/13/05/97/215130597.db2.gz DMTLCXUQMGGKIN-UHFFFAOYSA-N 2 2 279.388 0.866 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]Cc2cccc(OCC(N)=O)c2)[C@@H](C)C1 ZINC000344767901 137212401 /nfs/dbraw/zinc/21/24/01/137212401.db2.gz GDFGFVCAVUAWAE-WFASDCNBSA-N 2 2 291.395 0.981 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]Cc2cccc(OCC(N)=O)c2)[C@@H](C)C1 ZINC000344767901 137212402 /nfs/dbraw/zinc/21/24/02/137212402.db2.gz GDFGFVCAVUAWAE-WFASDCNBSA-N 2 2 291.395 0.981 20 0 CCADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@H]1CSC[NH2+]1 ZINC000037008457 348177987 /nfs/dbraw/zinc/17/79/87/348177987.db2.gz YVHVFZGYKWWHII-GFCCVEGCSA-N 2 2 292.408 0.829 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000036300713 348166071 /nfs/dbraw/zinc/16/60/71/348166071.db2.gz ZWGPVJMHRZTGRD-UHFFFAOYSA-N 2 2 270.377 0.152 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000036300713 348166072 /nfs/dbraw/zinc/16/60/72/348166072.db2.gz ZWGPVJMHRZTGRD-UHFFFAOYSA-N 2 2 270.377 0.152 20 0 CCADLP O=C([C@@H]1CSC[NH2+]1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000037812683 348208581 /nfs/dbraw/zinc/20/85/81/348208581.db2.gz RTYCIYNMHFSXPF-QWRGUYRKSA-N 2 2 255.387 0.346 20 0 CCADLP O=C([C@@H]1CSC[NH2+]1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000037812683 348208583 /nfs/dbraw/zinc/20/85/83/348208583.db2.gz RTYCIYNMHFSXPF-QWRGUYRKSA-N 2 2 255.387 0.346 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)NCCCOC)C1 ZINC000040599739 348238463 /nfs/dbraw/zinc/23/84/63/348238463.db2.gz PQIYYNBFNKSRNL-GFCCVEGCSA-N 2 2 257.378 0.071 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)NCCCOC)C1 ZINC000040599739 348238465 /nfs/dbraw/zinc/23/84/65/348238465.db2.gz PQIYYNBFNKSRNL-GFCCVEGCSA-N 2 2 257.378 0.071 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)C(=O)NCCCOC)C1 ZINC000040601490 348238744 /nfs/dbraw/zinc/23/87/44/348238744.db2.gz OJGJGBIGSNWBLR-CHWSQXEVSA-N 2 2 271.405 0.459 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)C(=O)NCCCOC)C1 ZINC000040601490 348238747 /nfs/dbraw/zinc/23/87/47/348238747.db2.gz OJGJGBIGSNWBLR-CHWSQXEVSA-N 2 2 271.405 0.459 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)N(C)CC[NH+]2CCOCC2)CCC[N@@H+]1C ZINC000345770364 137251950 /nfs/dbraw/zinc/25/19/50/137251950.db2.gz DXWNWJWBNRHAFN-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)N(C)CC[NH+]2CCOCC2)CCC[N@H+]1C ZINC000345770364 137251951 /nfs/dbraw/zinc/25/19/51/137251951.db2.gz DXWNWJWBNRHAFN-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000346295953 137277682 /nfs/dbraw/zinc/27/76/82/137277682.db2.gz UJLGSOQHNNLFNV-CHWSQXEVSA-N 2 2 291.399 0.571 20 0 CCADLP [NH3+][C@H]1CCC[C@H](C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000346295961 137277823 /nfs/dbraw/zinc/27/78/23/137277823.db2.gz UJLGSOQHNNLFNV-STQMWFEESA-N 2 2 291.399 0.571 20 0 CCADLP COC[C@]1(C(=O)OC)CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000602913138 362883167 /nfs/dbraw/zinc/88/31/67/362883167.db2.gz UMIZEFYBUVWWLZ-AWEZNQCLSA-N 2 2 281.356 0.927 20 0 CCADLP COC[C@]1(C(=O)OC)CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000602913138 362883173 /nfs/dbraw/zinc/88/31/73/362883173.db2.gz UMIZEFYBUVWWLZ-AWEZNQCLSA-N 2 2 281.356 0.927 20 0 CCADLP CC(C)(CNC(=O)CC[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000043600450 348311519 /nfs/dbraw/zinc/31/15/19/348311519.db2.gz JTRWQZMXPAYTMJ-CQSZACIVSA-N 2 2 297.443 0.993 20 0 CCADLP O=C(NCCNc1cc[nH+]cc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000536530456 290853873 /nfs/dbraw/zinc/85/38/73/290853873.db2.gz UMBWKMGMDBZCJB-GFCCVEGCSA-N 2 2 285.351 0.491 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346995205 137314867 /nfs/dbraw/zinc/31/48/67/137314867.db2.gz VORLCJUIFKBETI-CABCVRRESA-N 3 2 294.443 0.224 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346995205 137314868 /nfs/dbraw/zinc/31/48/68/137314868.db2.gz VORLCJUIFKBETI-CABCVRRESA-N 3 2 294.443 0.224 20 0 CCADLP COC(=O)c1ccc(C[N@H+](C)C2CC[NH2+]CC2)[nH]1 ZINC000347036007 137316727 /nfs/dbraw/zinc/31/67/27/137316727.db2.gz DXVGSUYLXALOAD-UHFFFAOYSA-N 2 2 251.330 0.985 20 0 CCADLP COC(=O)c1ccc(C[N@@H+](C)C2CC[NH2+]CC2)[nH]1 ZINC000347036007 137316728 /nfs/dbraw/zinc/31/67/28/137316728.db2.gz DXVGSUYLXALOAD-UHFFFAOYSA-N 2 2 251.330 0.985 20 0 CCADLP CN(C)C(=O)NCC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000348918627 137380404 /nfs/dbraw/zinc/38/04/04/137380404.db2.gz MCTOPJIHDUYCJF-UHFFFAOYSA-N 2 2 253.350 0.476 20 0 CCADLP C[C@H](C[NH+]1CCCCC1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000049501180 348455519 /nfs/dbraw/zinc/45/55/19/348455519.db2.gz BUHXDFRBLUUAOR-HUUCEWRRSA-N 2 2 285.432 0.144 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000054172055 348544778 /nfs/dbraw/zinc/54/47/78/348544778.db2.gz HXNZKPKCHJWQGH-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCO[C@H](C)C2)CC1 ZINC000054172055 348544781 /nfs/dbraw/zinc/54/47/81/348544781.db2.gz HXNZKPKCHJWQGH-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)C1(C[NH3+])CCCC1 ZINC000062252372 348666970 /nfs/dbraw/zinc/66/69/70/348666970.db2.gz AKLWBCZYDRKAOD-UHFFFAOYSA-N 2 2 250.346 0.898 20 0 CCADLP C[C@@H](CNC(=O)c1ccnc(-n2cc[nH+]c2)c1)[NH+](C)C ZINC000063732295 348691149 /nfs/dbraw/zinc/69/11/49/348691149.db2.gz MGRDBPLHORINHA-NSHDSACASA-N 2 2 273.340 0.947 20 0 CCADLP CC(C)[NH+]1CCC([NH2+]C[C@H]2CN(C)CCN2C)CC1 ZINC000068800702 348822793 /nfs/dbraw/zinc/82/27/93/348822793.db2.gz LAUXLDABDUDCTE-HNNXBMFYSA-N 2 2 268.449 0.695 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C2CCC(O)CC2)n1C ZINC000070142584 348873039 /nfs/dbraw/zinc/87/30/39/348873039.db2.gz GREHSDAJINFYSU-UHFFFAOYSA-N 2 2 252.362 0.879 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000070253020 348881612 /nfs/dbraw/zinc/88/16/12/348881612.db2.gz QSVUWFZWMKKGMI-CHWSQXEVSA-N 2 2 281.400 0.213 20 0 CCADLP CC(C)(O)C[NH+]1CCN(CCCn2cc[nH+]c2)CC1 ZINC000071382206 348909310 /nfs/dbraw/zinc/90/93/10/348909310.db2.gz RLYHSSVGBLGFRM-UHFFFAOYSA-N 2 2 266.389 0.662 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCCCn2cc[nH+]c2C)C1 ZINC000073711645 348959302 /nfs/dbraw/zinc/95/93/02/348959302.db2.gz VAWPRAARLLBREJ-CYBMUJFWSA-N 2 2 280.372 0.419 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NCCCn2cc[nH+]c2C)C1 ZINC000073711645 348959303 /nfs/dbraw/zinc/95/93/03/348959303.db2.gz VAWPRAARLLBREJ-CYBMUJFWSA-N 2 2 280.372 0.419 20 0 CCADLP Cn1cc[nH+]c1[C@H](NC(=O)C[NH3+])c1ccccc1F ZINC000082254702 349292653 /nfs/dbraw/zinc/29/26/53/349292653.db2.gz XCZIDENLTZSNPO-GFCCVEGCSA-N 2 2 262.288 0.724 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000081095422 349246240 /nfs/dbraw/zinc/24/62/40/349246240.db2.gz YWJIDMBKYDRIJI-NWDGAFQWSA-N 2 2 284.404 0.494 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000081095422 349246243 /nfs/dbraw/zinc/24/62/43/349246243.db2.gz YWJIDMBKYDRIJI-NWDGAFQWSA-N 2 2 284.404 0.494 20 0 CCADLP CCNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000081095422 349246246 /nfs/dbraw/zinc/24/62/46/349246246.db2.gz YWJIDMBKYDRIJI-NWDGAFQWSA-N 2 2 284.404 0.494 20 0 CCADLP CCNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000081095422 349246250 /nfs/dbraw/zinc/24/62/50/349246250.db2.gz YWJIDMBKYDRIJI-NWDGAFQWSA-N 2 2 284.404 0.494 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000081338561 349258192 /nfs/dbraw/zinc/25/81/92/349258192.db2.gz KORVDSPDPOGVDG-STQMWFEESA-N 2 2 292.383 0.836 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000081338561 349258195 /nfs/dbraw/zinc/25/81/95/349258195.db2.gz KORVDSPDPOGVDG-STQMWFEESA-N 2 2 292.383 0.836 20 0 CCADLP Cc1cccc(NCCNC(=O)[C@H]2C[N@H+](C)CCO2)[nH+]1 ZINC000081466330 349267535 /nfs/dbraw/zinc/26/75/35/349267535.db2.gz IUTSMVWVWVTTQC-GFCCVEGCSA-N 2 2 278.356 0.249 20 0 CCADLP Cc1cccc(NCCNC(=O)[C@H]2C[N@@H+](C)CCO2)[nH+]1 ZINC000081466330 349267537 /nfs/dbraw/zinc/26/75/37/349267537.db2.gz IUTSMVWVWVTTQC-GFCCVEGCSA-N 2 2 278.356 0.249 20 0 CCADLP CC(C)OCC[NH+]1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000081637301 349278848 /nfs/dbraw/zinc/27/88/48/349278848.db2.gz QDSRAVQZMTXWKM-UHFFFAOYSA-N 2 2 299.459 0.751 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000081900498 349287355 /nfs/dbraw/zinc/28/73/55/349287355.db2.gz KVKPTOSWCIHKHW-WDEREUQCSA-N 2 2 260.403 0.493 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000081900498 349287356 /nfs/dbraw/zinc/28/73/56/349287356.db2.gz KVKPTOSWCIHKHW-WDEREUQCSA-N 2 2 260.403 0.493 20 0 CCADLP CN(C)C(=O)C[NH+]1CCC([NH2+]Cc2cc[nH]c2)CC1 ZINC000086253479 349339168 /nfs/dbraw/zinc/33/91/68/349339168.db2.gz XBPRWOBSJZSEMV-UHFFFAOYSA-N 2 2 264.373 0.657 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000090182879 349428760 /nfs/dbraw/zinc/42/87/60/349428760.db2.gz AQQOHKGEXOJWIR-NEPJUHHUSA-N 2 2 274.430 0.741 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000090182879 349428762 /nfs/dbraw/zinc/42/87/62/349428762.db2.gz AQQOHKGEXOJWIR-NEPJUHHUSA-N 2 2 274.430 0.741 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2noc3ccccc32)[C@H](C[NH3+])C1 ZINC000120759246 350003956 /nfs/dbraw/zinc/00/39/56/350003956.db2.gz ADSCVKQGGFFHHC-LLVKDONJSA-N 2 2 288.351 0.472 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2noc3ccccc32)[C@H](C[NH3+])C1 ZINC000120759246 350003958 /nfs/dbraw/zinc/00/39/58/350003958.db2.gz ADSCVKQGGFFHHC-LLVKDONJSA-N 2 2 288.351 0.472 20 0 CCADLP C[C@@H](O)C[C@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000123778398 350082943 /nfs/dbraw/zinc/08/29/43/350082943.db2.gz VOAQEBIKSICSJN-ZIAGYGMSSA-N 2 2 283.416 0.386 20 0 CCADLP C[C@@H](O)C[C@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000123778398 350082945 /nfs/dbraw/zinc/08/29/45/350082945.db2.gz VOAQEBIKSICSJN-ZIAGYGMSSA-N 2 2 283.416 0.386 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2cccc(F)c2)[C@H](C[NH3+])C1 ZINC000122608768 350066499 /nfs/dbraw/zinc/06/64/99/350066499.db2.gz AIEUPZGXKSEZDM-CYBMUJFWSA-N 2 2 265.332 0.470 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2cccc(F)c2)[C@H](C[NH3+])C1 ZINC000122608768 350066501 /nfs/dbraw/zinc/06/65/01/350066501.db2.gz AIEUPZGXKSEZDM-CYBMUJFWSA-N 2 2 265.332 0.470 20 0 CCADLP C[C@H]1C[C@H]([NH+](C)CC(=O)NC2CCOCC2)CC[N@@H+]1C ZINC000124041357 350088227 /nfs/dbraw/zinc/08/82/27/350088227.db2.gz JZCSECVZMZCLLT-GXTWGEPZSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H]1C[C@H]([NH+](C)CC(=O)NC2CCOCC2)CC[N@H+]1C ZINC000124041357 350088230 /nfs/dbraw/zinc/08/82/30/350088230.db2.gz JZCSECVZMZCLLT-GXTWGEPZSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H]1C[C@H]([N@H+](C)CC(=O)NC2CCOCC2)CC[NH+]1C ZINC000124041357 350088232 /nfs/dbraw/zinc/08/82/32/350088232.db2.gz JZCSECVZMZCLLT-GXTWGEPZSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H]1C[C@H]([N@@H+](C)CC(=O)NC2CCOCC2)CC[NH+]1C ZINC000124041357 350088237 /nfs/dbraw/zinc/08/82/37/350088237.db2.gz JZCSECVZMZCLLT-GXTWGEPZSA-N 2 2 283.416 0.696 20 0 CCADLP C[N@@H+]1CCN(C(=O)c2cccc3cccnc32)[C@H](C[NH3+])C1 ZINC000124298723 350093982 /nfs/dbraw/zinc/09/39/82/350093982.db2.gz JHHSUWRTAXZFAN-CYBMUJFWSA-N 2 2 284.363 0.950 20 0 CCADLP C[N@H+]1CCN(C(=O)c2cccc3cccnc32)[C@H](C[NH3+])C1 ZINC000124298723 350093987 /nfs/dbraw/zinc/09/39/87/350093987.db2.gz JHHSUWRTAXZFAN-CYBMUJFWSA-N 2 2 284.363 0.950 20 0 CCADLP COc1cccc(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000124316282 350095502 /nfs/dbraw/zinc/09/55/02/350095502.db2.gz SHFUTAOOQPQLDJ-ZDUSSCGKSA-N 2 2 277.368 0.339 20 0 CCADLP COc1cccc(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000124316282 350095505 /nfs/dbraw/zinc/09/55/05/350095505.db2.gz SHFUTAOOQPQLDJ-ZDUSSCGKSA-N 2 2 277.368 0.339 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCCCOC)[C@H](C)C1 ZINC000125764959 350129509 /nfs/dbraw/zinc/12/95/09/350129509.db2.gz OWUWBLMJCRLCOP-KGLIPLIRSA-N 2 2 285.432 0.801 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCCCOC)[C@H](C)C1 ZINC000125764959 350129511 /nfs/dbraw/zinc/12/95/11/350129511.db2.gz OWUWBLMJCRLCOP-KGLIPLIRSA-N 2 2 285.432 0.801 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCCCOC)[C@H](C)C1 ZINC000125764959 350129512 /nfs/dbraw/zinc/12/95/12/350129512.db2.gz OWUWBLMJCRLCOP-KGLIPLIRSA-N 2 2 285.432 0.801 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCCCOC)[C@H](C)C1 ZINC000125764959 350129514 /nfs/dbraw/zinc/12/95/14/350129514.db2.gz OWUWBLMJCRLCOP-KGLIPLIRSA-N 2 2 285.432 0.801 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCNC(=O)C2CC2)C[N@@H+]1C1CC1 ZINC000128345202 350190641 /nfs/dbraw/zinc/19/06/41/350190641.db2.gz SUHZIQZHBJDNRF-JQWIXIFHSA-N 2 2 251.374 0.727 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCNC(=O)C2CC2)C[N@H+]1C1CC1 ZINC000128345202 350190643 /nfs/dbraw/zinc/19/06/43/350190643.db2.gz SUHZIQZHBJDNRF-JQWIXIFHSA-N 2 2 251.374 0.727 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCNC(=O)C2CC2)C[N@@H+]1C1CC1 ZINC000128344979 350190724 /nfs/dbraw/zinc/19/07/24/350190724.db2.gz SUHZIQZHBJDNRF-PWSUYJOCSA-N 2 2 251.374 0.727 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCNC(=O)C2CC2)C[N@H+]1C1CC1 ZINC000128344979 350190727 /nfs/dbraw/zinc/19/07/27/350190727.db2.gz SUHZIQZHBJDNRF-PWSUYJOCSA-N 2 2 251.374 0.727 20 0 CCADLP CCC[N@H+](CC(=O)N1CC[NH+](C)CC1)CC1CC1 ZINC000129604877 350218048 /nfs/dbraw/zinc/21/80/48/350218048.db2.gz IPEAKVCORAVZTP-UHFFFAOYSA-N 2 2 253.390 0.882 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)NC1CC[NH+](C)CC1 ZINC000105079879 186041094 /nfs/dbraw/zinc/04/10/94/186041094.db2.gz DEACXXYVRQBLFC-UHFFFAOYSA-N 2 2 284.404 0.054 20 0 CCADLP [NH3+]Cc1cc(C(=O)NCCCn2cc[nH+]c2)ccn1 ZINC000129962786 350226858 /nfs/dbraw/zinc/22/68/58/350226858.db2.gz OXGUIJCCISGIBF-UHFFFAOYSA-N 2 2 259.313 0.557 20 0 CCADLP CC[NH2+]CC1CC[NH+](Cc2nc(N)nc(N(C)C)n2)CC1 ZINC000129990681 350227358 /nfs/dbraw/zinc/22/73/58/350227358.db2.gz RZLLQXLHMPGJGJ-UHFFFAOYSA-N 2 2 293.419 0.341 20 0 CCADLP COC1CCC([NH2+]C[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000130064190 350229528 /nfs/dbraw/zinc/22/95/28/350229528.db2.gz WIZNNVRAIHYXFK-ROKHWSDSSA-N 2 2 255.406 0.779 20 0 CCADLP COC1CCC([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000130064190 350229531 /nfs/dbraw/zinc/22/95/31/350229531.db2.gz WIZNNVRAIHYXFK-ROKHWSDSSA-N 2 2 255.406 0.779 20 0 CCADLP NC(=O)[C@H]1CCCC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000130875521 350252006 /nfs/dbraw/zinc/25/20/06/350252006.db2.gz WZXDLJPBMOUJOX-RYUDHWBXSA-N 2 2 250.346 0.907 20 0 CCADLP CS(=O)(=O)NCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131737006 350284884 /nfs/dbraw/zinc/28/48/84/350284884.db2.gz FYKMGKZSGNRGRM-GFCCVEGCSA-N 2 2 285.369 0.084 20 0 CCADLP CS(=O)(=O)NCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131737006 350284887 /nfs/dbraw/zinc/28/48/87/350284887.db2.gz FYKMGKZSGNRGRM-GFCCVEGCSA-N 2 2 285.369 0.084 20 0 CCADLP CSCC[C@@H]([NH3+])C(=O)NCCCCn1cc[nH+]c1 ZINC000131162900 350265091 /nfs/dbraw/zinc/26/50/91/350265091.db2.gz JDFKRYGCUJPVRB-LLVKDONJSA-N 2 2 270.402 0.860 20 0 CCADLP Cc1nn(C)c2ncc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc12 ZINC000131397074 350273888 /nfs/dbraw/zinc/27/38/88/350273888.db2.gz OSJDIIZYSIWSCW-OAHLLOKOSA-N 2 2 291.399 0.679 20 0 CCADLP CCOC(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000131586996 350280260 /nfs/dbraw/zinc/28/02/60/350280260.db2.gz BGNWGWMUQSRZMW-ZDUSSCGKSA-N 2 2 270.373 0.594 20 0 CCADLP CCOC(=O)CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000131586996 350280264 /nfs/dbraw/zinc/28/02/64/350280264.db2.gz BGNWGWMUQSRZMW-ZDUSSCGKSA-N 2 2 270.373 0.594 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCc2ccccn2)[C@H](C[NH3+])C1 ZINC000132841480 350317933 /nfs/dbraw/zinc/31/79/33/350317933.db2.gz YXUWMSYYYDNAIW-CYBMUJFWSA-N 2 2 262.357 0.116 20 0 CCADLP C[N@H+]1CCN(C(=O)CCc2ccccn2)[C@H](C[NH3+])C1 ZINC000132841480 350317939 /nfs/dbraw/zinc/31/79/39/350317939.db2.gz YXUWMSYYYDNAIW-CYBMUJFWSA-N 2 2 262.357 0.116 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131844226 350289513 /nfs/dbraw/zinc/28/95/13/350289513.db2.gz SJSDKFIZDRJGMU-CQSZACIVSA-N 2 2 293.367 0.687 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131844226 350289518 /nfs/dbraw/zinc/28/95/18/350289518.db2.gz SJSDKFIZDRJGMU-CQSZACIVSA-N 2 2 293.367 0.687 20 0 CCADLP [NH3+]C1(C(=O)N2CC[NH+](Cc3ccncc3)CC2)CCC1 ZINC000147844379 350471480 /nfs/dbraw/zinc/47/14/80/350471480.db2.gz GWDRAABZEQHABL-UHFFFAOYSA-N 2 2 274.368 0.607 20 0 CCADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCc2sccc2C1 ZINC000107577070 186179316 /nfs/dbraw/zinc/17/93/16/186179316.db2.gz DLPRALJPRQKUGL-BETUJISGSA-N 2 2 291.420 0.784 20 0 CCADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCc2sccc2C1 ZINC000107577070 186179318 /nfs/dbraw/zinc/17/93/18/186179318.db2.gz DLPRALJPRQKUGL-BETUJISGSA-N 2 2 291.420 0.784 20 0 CCADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(-n2cnnn2)cc1 ZINC000154368503 350585803 /nfs/dbraw/zinc/58/58/03/350585803.db2.gz WWWIHVKNKPYPLV-SMDDNHRTSA-N 2 2 290.371 0.235 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]C[C@]2(C)CCCS2)CC1 ZINC000155605434 350619602 /nfs/dbraw/zinc/61/96/02/350619602.db2.gz UQPDCJZLMADSTI-ZDUSSCGKSA-N 2 2 271.430 0.636 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109792837 186272621 /nfs/dbraw/zinc/27/26/21/186272621.db2.gz HXKBHYOOROACIV-SECBINFHSA-N 2 2 265.317 0.103 20 0 CCADLP O=C1CC[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CN1 ZINC000111017959 186344408 /nfs/dbraw/zinc/34/44/08/186344408.db2.gz NBSMUIOGISORCX-CYBMUJFWSA-N 2 2 274.368 0.919 20 0 CCADLP C[C@H](CNC(=O)[C@]1(F)CC[NH2+]C1)Cn1cc[nH+]c1 ZINC000165590366 350791755 /nfs/dbraw/zinc/79/17/55/350791755.db2.gz WESDUTWAJZENKU-PWSUYJOCSA-N 2 2 254.309 0.337 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CSC[NH2+]1)Cn1cc[nH+]c1 ZINC000165589752 350791787 /nfs/dbraw/zinc/79/17/87/350791787.db2.gz IRFPDTQMWLOIEE-UWVGGRQHSA-N 2 2 254.359 0.298 20 0 CCADLP C[C@H](CNC(=O)C[C@H]1C[NH2+]CCO1)Cn1cc[nH+]c1 ZINC000165586261 350791857 /nfs/dbraw/zinc/79/18/57/350791857.db2.gz XYLPWADAGRGWPV-NEPJUHHUSA-N 2 2 266.345 0.014 20 0 CCADLP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000168325924 350823523 /nfs/dbraw/zinc/82/35/23/350823523.db2.gz YIPCHRLMGIWYSA-STQMWFEESA-N 2 2 292.383 0.597 20 0 CCADLP C[C@@H](NC(=O)[C@H]1CCCC[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000167685536 350812966 /nfs/dbraw/zinc/81/29/66/350812966.db2.gz ZHUSPZFCTIVYGE-FRRDWIJNSA-N 2 2 269.389 0.354 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000111269414 186384447 /nfs/dbraw/zinc/38/44/47/186384447.db2.gz PEJYXDIJQIDHEX-UKRRQHHQSA-N 2 2 288.395 0.581 20 0 CCADLP Cn1ncc2c1nc[nH+]c2NCC1CC[NH+](CCO)CC1 ZINC000171544689 350915434 /nfs/dbraw/zinc/91/54/34/350915434.db2.gz HWWAQDZIAABDOC-UHFFFAOYSA-N 2 2 290.371 0.480 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000174390286 351083545 /nfs/dbraw/zinc/08/35/45/351083545.db2.gz DZJWZYDOVSUKSD-CYBMUJFWSA-N 2 2 290.367 0.061 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000174390286 351083547 /nfs/dbraw/zinc/08/35/47/351083547.db2.gz DZJWZYDOVSUKSD-CYBMUJFWSA-N 2 2 290.367 0.061 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@@H]2CCCO2)CC1 ZINC000175507431 351132073 /nfs/dbraw/zinc/13/20/73/351132073.db2.gz BMCSRILXPIGJBM-AWEZNQCLSA-N 2 2 298.431 0.491 20 0 CCADLP O=C(NCc1ccn2cc[nH+]c2c1)[C@@]1(F)CC[NH2+]C1 ZINC000178801141 351246405 /nfs/dbraw/zinc/24/64/05/351246405.db2.gz OMSLNNBVIIZAMP-CYBMUJFWSA-N 2 2 262.288 0.652 20 0 CCADLP CCOCCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177139440 351195124 /nfs/dbraw/zinc/19/51/24/351195124.db2.gz MYKHEAHLJBLXGD-UHFFFAOYSA-N 2 2 271.405 0.555 20 0 CCADLP C[N@H+](CCC1CCOCC1)CC(=O)N1CC[NH+](C)CC1 ZINC000180541720 351288542 /nfs/dbraw/zinc/28/85/42/351288542.db2.gz MTGISLFHENMDNK-UHFFFAOYSA-N 2 2 283.416 0.509 20 0 CCADLP C[N@@H+](CCC1CCOCC1)CC(=O)N1CC[NH+](C)CC1 ZINC000180541720 351288543 /nfs/dbraw/zinc/28/85/43/351288543.db2.gz MTGISLFHENMDNK-UHFFFAOYSA-N 2 2 283.416 0.509 20 0 CCADLP CC(C)C[C@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181044259 351300044 /nfs/dbraw/zinc/30/00/44/351300044.db2.gz ZKZMUDQMBWSJLU-LSDHHAIUSA-N 2 2 297.443 0.944 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000299734203 282748181 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C[N@H+]1CCC[C@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000618547969 366041728 /nfs/dbraw/zinc/04/17/28/366041728.db2.gz QYUZNTZDTXJXFM-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CCOC[C@H]1C)C[NH+]1CCOCC1 ZINC000192592057 351791643 /nfs/dbraw/zinc/79/16/43/351791643.db2.gz UVFODIAFYUXQKF-MGPQQGTHSA-N 2 2 256.390 0.969 20 0 CCADLP C[C@H]1C[N@H+](CCN2CC[NH+](CC(C)(C)O)CC2)CCO1 ZINC000191477205 351759616 /nfs/dbraw/zinc/75/96/16/351759616.db2.gz IWKFSUMHJIXQHC-AWEZNQCLSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H]1C[N@@H+](CCN2CC[NH+](CC(C)(C)O)CC2)CCO1 ZINC000191477205 351759620 /nfs/dbraw/zinc/75/96/20/351759620.db2.gz IWKFSUMHJIXQHC-AWEZNQCLSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H]1C[N@H+](CCN2CC[C@H]([NH+]3CCCC3)C2)CCO1 ZINC000191473070 351759995 /nfs/dbraw/zinc/75/99/95/351759995.db2.gz FLLAAEBHUCTXRA-GJZGRUSLSA-N 2 2 267.417 0.877 20 0 CCADLP C[C@H]1C[N@@H+](CCN2CC[C@H]([NH+]3CCCC3)C2)CCO1 ZINC000191473070 351759999 /nfs/dbraw/zinc/75/99/99/351759999.db2.gz 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/nfs/dbraw/zinc/76/13/98/351761398.db2.gz RDTSZAGJOMXWNW-GFCCVEGCSA-N 2 2 277.434 0.342 20 0 CCADLP C[C@H]([NH3+])CCC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000193310434 351822017 /nfs/dbraw/zinc/82/20/17/351822017.db2.gz XNMTWQPIZJYTCW-NSHDSACASA-N 2 2 257.378 0.341 20 0 CCADLP C[C@H]([NH3+])CCC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000193310434 351822018 /nfs/dbraw/zinc/82/20/18/351822018.db2.gz XNMTWQPIZJYTCW-NSHDSACASA-N 2 2 257.378 0.341 20 0 CCADLP CC[NH2+]CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655413162 412561121 /nfs/dbraw/zinc/56/11/21/412561121.db2.gz NDLMUMQTMOWMDJ-NSHDSACASA-N 2 2 250.346 0.561 20 0 CCADLP C[C@H](CNC(=O)c1csc(CC[NH3+])n1)Cn1cc[nH+]c1 ZINC000194829939 351887796 /nfs/dbraw/zinc/88/77/96/351887796.db2.gz JDJVACRQSMALMM-SNVBAGLBSA-N 2 2 293.396 0.907 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000194904548 351890729 /nfs/dbraw/zinc/89/07/29/351890729.db2.gz HSTQOJBWIHDADV-CHWSQXEVSA-N 2 2 294.399 0.807 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)on1 ZINC000228077486 352066646 /nfs/dbraw/zinc/06/66/46/352066646.db2.gz BLLHXBFQPFHWON-ZJUUUORDSA-N 2 2 252.318 0.591 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)on1 ZINC000228077486 352066648 /nfs/dbraw/zinc/06/66/48/352066648.db2.gz BLLHXBFQPFHWON-ZJUUUORDSA-N 2 2 252.318 0.591 20 0 CCADLP C[N@@H+]1CCN(Cc2ccc3c(c2)CCO3)[C@@H](C[NH3+])C1 ZINC000226609485 352030245 /nfs/dbraw/zinc/03/02/45/352030245.db2.gz KVZCURIUYXCIOH-AWEZNQCLSA-N 2 2 261.369 0.696 20 0 CCADLP C[N@H+]1CCN(Cc2ccc3c(c2)CCO3)[C@@H](C[NH3+])C1 ZINC000226609485 352030247 /nfs/dbraw/zinc/03/02/47/352030247.db2.gz KVZCURIUYXCIOH-AWEZNQCLSA-N 2 2 261.369 0.696 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NCCCOC)C1 ZINC000226677664 352031436 /nfs/dbraw/zinc/03/14/36/352031436.db2.gz OJGJGBIGSNWBLR-STQMWFEESA-N 2 2 271.405 0.459 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NCCCOC)C1 ZINC000226677664 352031438 /nfs/dbraw/zinc/03/14/38/352031438.db2.gz OJGJGBIGSNWBLR-STQMWFEESA-N 2 2 271.405 0.459 20 0 CCADLP CC1CCN(C(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)CC1 ZINC000227070240 352037395 /nfs/dbraw/zinc/03/73/95/352037395.db2.gz VCHOCOBAYKBIMD-QWHCGFSZSA-N 2 2 253.390 0.914 20 0 CCADLP CC1CCN(C(=O)C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)CC1 ZINC000227070240 352037398 /nfs/dbraw/zinc/03/73/98/352037398.db2.gz VCHOCOBAYKBIMD-QWHCGFSZSA-N 2 2 253.390 0.914 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCSCCCO)n1C ZINC000230784498 352120183 /nfs/dbraw/zinc/12/01/83/352120183.db2.gz PPEAMJFSQUQIOC-UHFFFAOYSA-N 2 2 272.418 0.691 20 0 CCADLP COc1c(N)[nH+]cnc1NCC[NH+]1CCSCC1 ZINC000230951507 352123267 /nfs/dbraw/zinc/12/32/67/352123267.db2.gz KQUWVFVTUVYQFM-UHFFFAOYSA-N 2 2 269.374 0.528 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000234749197 352168587 /nfs/dbraw/zinc/16/85/87/352168587.db2.gz WLLHLUUOLLYWCZ-AVGNSLFASA-N 2 2 271.361 0.274 20 0 CCADLP O=C(NC[C@@H]1CCCC[NH2+]1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655415597 412562491 /nfs/dbraw/zinc/56/24/91/412562491.db2.gz XPILRAAOBPZIQG-NEPJUHHUSA-N 2 2 262.357 0.704 20 0 CCADLP CCCC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000236767943 352211941 /nfs/dbraw/zinc/21/19/41/352211941.db2.gz OFDXPEAUMQEZRQ-QWHCGFSZSA-N 2 2 269.389 0.483 20 0 CCADLP CCCC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000236767943 352211943 /nfs/dbraw/zinc/21/19/43/352211943.db2.gz OFDXPEAUMQEZRQ-QWHCGFSZSA-N 2 2 269.389 0.483 20 0 CCADLP CC(C)([NH3+])C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000236780077 352214130 /nfs/dbraw/zinc/21/41/30/352214130.db2.gz ZDCPCSRFTJJNLO-UHFFFAOYSA-N 2 2 277.368 0.774 20 0 CCADLP CCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000236901448 352225715 /nfs/dbraw/zinc/22/57/15/352225715.db2.gz LMJXBLRFAWUSQB-TUAOUCFPSA-N 2 2 257.378 0.339 20 0 CCADLP CCCc1nc(C)c(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)o1 ZINC000603431805 363130835 /nfs/dbraw/zinc/13/08/35/363130835.db2.gz ZCGSXKZXJKVMJB-RYUDHWBXSA-N 2 2 292.383 0.679 20 0 CCADLP CCC[C@@H]([NH3+])C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000236923193 352228797 /nfs/dbraw/zinc/22/87/97/352228797.db2.gz JLOWXBUZIXMXAF-GFCCVEGCSA-N 2 2 279.388 0.192 20 0 CCADLP CCCc1nc(C)c(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)o1 ZINC000603431788 363131429 /nfs/dbraw/zinc/13/14/29/363131429.db2.gz ZCGSXKZXJKVMJB-NEPJUHHUSA-N 2 2 292.383 0.679 20 0 CCADLP C[NH2+]CC(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000237301822 352259995 /nfs/dbraw/zinc/25/99/95/352259995.db2.gz FRRCHEDWOCRBMN-UHFFFAOYSA-N 2 2 263.341 0.677 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655414256 412563023 /nfs/dbraw/zinc/56/30/23/412563023.db2.gz IIBFUVOKRCWFEV-LBPRGKRZSA-N 2 2 264.373 0.950 20 0 CCADLP COCC[NH+]1CCN(C(=O)C2([NH3+])CCCCC2)CC1 ZINC000237112202 352244187 /nfs/dbraw/zinc/24/41/87/352244187.db2.gz VCTOENVVXZNWFW-UHFFFAOYSA-N 2 2 269.389 0.439 20 0 CCADLP C[NH2+]CC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000237237085 352255231 /nfs/dbraw/zinc/25/52/31/352255231.db2.gz 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ZINC000248135395 352432943 /nfs/dbraw/zinc/43/29/43/352432943.db2.gz OZWFEARHMYPTLX-DZGCQCFKSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)NC3CCOCC3)CC[C@H]21 ZINC000248135395 352432948 /nfs/dbraw/zinc/43/29/48/352432948.db2.gz OZWFEARHMYPTLX-DZGCQCFKSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000252453791 352514954 /nfs/dbraw/zinc/51/49/54/352514954.db2.gz VGBQIEGPDVBGFO-CRWXNKLISA-N 2 2 265.401 0.642 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000264816928 352599897 /nfs/dbraw/zinc/59/98/97/352599897.db2.gz ZFYXFKWTNHELOL-ZDUSSCGKSA-N 2 2 287.367 0.310 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000264816928 352599901 /nfs/dbraw/zinc/59/99/01/352599901.db2.gz ZFYXFKWTNHELOL-ZDUSSCGKSA-N 2 2 287.367 0.310 20 0 CCADLP CCC[C@@]1(C)C(=O)NCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261658788 352563252 /nfs/dbraw/zinc/56/32/52/352563252.db2.gz BLXAEYYWQPXJAN-JSGCOSHPSA-N 2 2 253.390 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353362359 /nfs/dbraw/zinc/36/23/59/353362359.db2.gz FKRCBMGLSJJWQO-UHFFFAOYSA-N 2 2 268.386 0.507 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH+]1CCSCC1 ZINC000280441850 353362363 /nfs/dbraw/zinc/36/23/63/353362363.db2.gz FKRCBMGLSJJWQO-UHFFFAOYSA-N 2 2 268.386 0.507 20 0 CCADLP C[C@H](CNC(=O)[C@H](c1c[nH+]cn1C)N(C)C)[N@H+](C)C1CC1 ZINC000281046059 353388712 /nfs/dbraw/zinc/38/87/12/353388712.db2.gz WWQXXVGKWMLJTB-RISCZKNCSA-N 2 2 293.415 0.622 20 0 CCADLP C[C@H](CNC(=O)[C@H](c1c[nH+]cn1C)N(C)C)[N@@H+](C)C1CC1 ZINC000281046059 353388716 /nfs/dbraw/zinc/38/87/16/353388716.db2.gz WWQXXVGKWMLJTB-RISCZKNCSA-N 2 2 293.415 0.622 20 0 CCADLP Cc1[nH+]cn(CCC(=O)N2CC[NH+](C)CC2)c1C ZINC000282631166 353440808 /nfs/dbraw/zinc/44/08/08/353440808.db2.gz AWCANWATXPGDGE-UHFFFAOYSA-N 2 2 250.346 0.664 20 0 CCADLP CCc1nc(NCC[NH+]2CCN(C(C)=O)CC2)cc(C)[nH+]1 ZINC000283648209 353521365 /nfs/dbraw/zinc/52/13/65/353521365.db2.gz VDADWMMLUQMRNX-UHFFFAOYSA-N 2 2 291.399 0.923 20 0 CCADLP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000655457575 412579915 /nfs/dbraw/zinc/57/99/15/412579915.db2.gz ULVUXBOQOQMEBR-TUAOUCFPSA-N 2 2 262.357 0.832 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000283928884 353538015 /nfs/dbraw/zinc/53/80/15/353538015.db2.gz MBNJDFWYNPCEBW-ZDUSSCGKSA-N 2 2 274.324 0.395 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000283928884 353538018 /nfs/dbraw/zinc/53/80/18/353538018.db2.gz MBNJDFWYNPCEBW-ZDUSSCGKSA-N 2 2 274.324 0.395 20 0 CCADLP C[C@@H](C[NH+](C)C)Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000286542803 353594100 /nfs/dbraw/zinc/59/41/00/353594100.db2.gz VVJIYQWBMWMDIX-NSHDSACASA-N 2 2 292.387 0.117 20 0 CCADLP C[C@]1(C[NH3+])CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000655460334 412581239 /nfs/dbraw/zinc/58/12/39/412581239.db2.gz KZPKBSKWDVAJRE-SMDDNHRTSA-N 2 2 262.357 0.643 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000287312000 353638322 /nfs/dbraw/zinc/63/83/22/353638322.db2.gz DRSDUUIOFPVORQ-UHFFFAOYSA-N 2 2 280.372 0.523 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000576515885 335213442 /nfs/dbraw/zinc/21/34/42/335213442.db2.gz ASALSSSVJLXNPF-RYUDHWBXSA-N 2 2 272.393 0.086 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000290015669 353701667 /nfs/dbraw/zinc/70/16/67/353701667.db2.gz FBHUUHDXXPHVFC-AWEZNQCLSA-N 2 2 293.367 0.010 20 0 CCADLP COC(=O)[C@@]1(C)CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000290064992 353704690 /nfs/dbraw/zinc/70/46/90/353704690.db2.gz POYVOAMOEAXVRJ-ZDUSSCGKSA-N 2 2 251.330 0.848 20 0 CCADLP COC(=O)[C@@]1(C)CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000290064992 353704692 /nfs/dbraw/zinc/70/46/92/353704692.db2.gz POYVOAMOEAXVRJ-ZDUSSCGKSA-N 2 2 251.330 0.848 20 0 CCADLP COC(=O)CC[C@@H]([NH3+])C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000290088895 353706784 /nfs/dbraw/zinc/70/67/84/353706784.db2.gz XAAGYFKXWYXVHT-LLVKDONJSA-N 2 2 290.323 0.862 20 0 CCADLP C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000288715410 291007345 /nfs/dbraw/zinc/00/73/45/291007345.db2.gz ZMTREZCVXFLXPL-CMPLNLGQSA-N 2 2 283.397 0.670 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000605545682 363260559 /nfs/dbraw/zinc/26/05/59/363260559.db2.gz SNQFYOJRVSWROI-GFCCVEGCSA-N 2 2 262.357 0.952 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000605545682 363260565 /nfs/dbraw/zinc/26/05/65/363260565.db2.gz SNQFYOJRVSWROI-GFCCVEGCSA-N 2 2 262.357 0.952 20 0 CCADLP C[C@@H](O)CNc1cc(N2CC[NH+](CC3CC3)CC2)nc[nH+]1 ZINC000294544483 353889628 /nfs/dbraw/zinc/88/96/28/353889628.db2.gz WCCUGIMUQOBAHX-GFCCVEGCSA-N 2 2 291.399 0.801 20 0 CCADLP COc1nccc(C[NH2+]C[C@@H](C)C[NH+]2CCOCC2)n1 ZINC000295622782 353907873 /nfs/dbraw/zinc/90/78/73/353907873.db2.gz HBQNYTNGRDBGPU-GFCCVEGCSA-N 2 2 280.372 0.543 20 0 CCADLP C[C@@H](O)CNc1cc(N2CC[NH+](C3CCC3)CC2)nc[nH+]1 ZINC000298318352 353962285 /nfs/dbraw/zinc/96/22/85/353962285.db2.gz RFFAXOPSAWFEFH-GFCCVEGCSA-N 2 2 291.399 0.944 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](C)CC[NH+](C)C ZINC000299371280 354012815 /nfs/dbraw/zinc/01/28/15/354012815.db2.gz MNDZQCREZBPPAL-NWDGAFQWSA-N 2 2 267.377 0.911 20 0 CCADLP CCc1[nH+]ccn1C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000305307223 354144001 /nfs/dbraw/zinc/14/40/01/354144001.db2.gz KWFXCIIPYAUIRG-JHJVBQTASA-N 2 2 267.373 0.916 20 0 CCADLP CN(C)c1nc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc[nH+]1 ZINC000607144836 363339448 /nfs/dbraw/zinc/33/94/48/363339448.db2.gz UJXOJUFQVDVNFB-STQMWFEESA-N 2 2 291.399 0.578 20 0 CCADLP COc1ccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cn1 ZINC000313391623 354214914 /nfs/dbraw/zinc/21/49/14/354214914.db2.gz VGDNLPKIXKHDRP-LBPRGKRZSA-N 2 2 251.330 0.640 20 0 CCADLP COc1ccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)cn1 ZINC000313391623 354214915 /nfs/dbraw/zinc/21/49/15/354214915.db2.gz VGDNLPKIXKHDRP-LBPRGKRZSA-N 2 2 251.330 0.640 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@]2(C1)NC(=O)NC2=O)C1CC1 ZINC000329728812 354259622 /nfs/dbraw/zinc/25/96/22/354259622.db2.gz CTFLTJGMMIPTBE-FZMZJTMJSA-N 2 2 296.371 0.160 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@]2(C1)NC(=O)NC2=O)C1CC1 ZINC000329728812 354259626 /nfs/dbraw/zinc/25/96/26/354259626.db2.gz CTFLTJGMMIPTBE-FZMZJTMJSA-N 2 2 296.371 0.160 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)C1CC1 ZINC000329728812 354259630 /nfs/dbraw/zinc/25/96/30/354259630.db2.gz CTFLTJGMMIPTBE-FZMZJTMJSA-N 2 2 296.371 0.160 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)C1CC1 ZINC000329728812 354259631 /nfs/dbraw/zinc/25/96/31/354259631.db2.gz CTFLTJGMMIPTBE-FZMZJTMJSA-N 2 2 296.371 0.160 20 0 CCADLP C[C@@H]1CO[C@@H](CO)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000314467983 354222786 /nfs/dbraw/zinc/22/27/86/354222786.db2.gz ZFNKQUQNHYYKIZ-DGCLKSJQSA-N 2 2 253.346 0.434 20 0 CCADLP C[C@@H]1CO[C@@H](CO)C[N@H+]1CCCc1c[nH+]cn1C ZINC000314467983 354222788 /nfs/dbraw/zinc/22/27/88/354222788.db2.gz ZFNKQUQNHYYKIZ-DGCLKSJQSA-N 2 2 253.346 0.434 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000330366870 354330970 /nfs/dbraw/zinc/33/09/70/354330970.db2.gz FCENMHRCVVZCDW-YPMHNXCESA-N 2 2 253.346 0.663 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000330366870 354330973 /nfs/dbraw/zinc/33/09/73/354330973.db2.gz FCENMHRCVVZCDW-YPMHNXCESA-N 2 2 253.346 0.663 20 0 CCADLP COC(=O)[C@H]1C[N@H+](CCCn2cc[nH+]c2C)CCO1 ZINC000330539859 354400702 /nfs/dbraw/zinc/40/07/02/354400702.db2.gz YULDLLCPBDSNON-GFCCVEGCSA-N 2 2 267.329 0.455 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](CCCn2cc[nH+]c2C)CCO1 ZINC000330539859 354400705 /nfs/dbraw/zinc/40/07/05/354400705.db2.gz YULDLLCPBDSNON-GFCCVEGCSA-N 2 2 267.329 0.455 20 0 CCADLP CN(C)c1nc(N2CC[NH+](CCC(C)(C)O)CC2)cc[nH+]1 ZINC000330905618 354428965 /nfs/dbraw/zinc/42/89/65/354428965.db2.gz VBWAVHAMTRZWNR-UHFFFAOYSA-N 2 2 293.415 0.826 20 0 CCADLP C[C@@H](C(=O)NCC(C)(C)[NH+]1CCOCC1)[NH+]1CC(C)C1 ZINC000557418117 291032088 /nfs/dbraw/zinc/03/20/88/291032088.db2.gz PLSKFURNLPKDLQ-ZDUSSCGKSA-N 2 2 283.416 0.554 20 0 CCADLP CCC(=O)N1CC[C@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000331159975 354472836 /nfs/dbraw/zinc/47/28/36/354472836.db2.gz WTLDIGBDEUZOKM-NSHDSACASA-N 2 2 279.388 0.587 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000332546251 354693996 /nfs/dbraw/zinc/69/39/96/354693996.db2.gz GKIMMZKFOSWQPS-CYBMUJFWSA-N 2 2 293.415 0.334 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000332475604 354682358 /nfs/dbraw/zinc/68/23/58/354682358.db2.gz TZJXWUNJVLJUIN-NWDGAFQWSA-N 2 2 274.430 0.789 20 0 CCADLP c1nc(N2CC[C@@H](N3CC[NH2+]CC3)C2)cc(NC2CC2)[nH+]1 ZINC000333623478 354764557 /nfs/dbraw/zinc/76/45/57/354764557.db2.gz ZURRVMYGWBIFGF-CYBMUJFWSA-N 2 2 288.399 0.535 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333677180 354775233 /nfs/dbraw/zinc/77/52/33/354775233.db2.gz OEXOMSLQCHHOMW-YCPHGPKFSA-N 2 2 295.427 0.746 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333677180 354775236 /nfs/dbraw/zinc/77/52/36/354775236.db2.gz OEXOMSLQCHHOMW-YCPHGPKFSA-N 2 2 295.427 0.746 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)NC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000333713073 354781435 /nfs/dbraw/zinc/78/14/35/354781435.db2.gz FRCHXJWWDQNNIT-CYBMUJFWSA-N 2 2 298.431 0.396 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)NC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000333713073 354781438 /nfs/dbraw/zinc/78/14/38/354781438.db2.gz FRCHXJWWDQNNIT-CYBMUJFWSA-N 2 2 298.431 0.396 20 0 CCADLP C[NH+](C)C1(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CCC1 ZINC000333737675 354785642 /nfs/dbraw/zinc/78/56/42/354785642.db2.gz QQPDYZTUSHBIMH-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1CN(C(=O)N(C)C)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000334424115 354862800 /nfs/dbraw/zinc/86/28/00/354862800.db2.gz WEFWEYVHNFSRFQ-GFCCVEGCSA-N 2 2 268.405 0.768 20 0 CCADLP C[C@@H]1CN(C(=O)N(C)C)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000334424115 354862801 /nfs/dbraw/zinc/86/28/01/354862801.db2.gz WEFWEYVHNFSRFQ-GFCCVEGCSA-N 2 2 268.405 0.768 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000423596419 235013755 /nfs/dbraw/zinc/01/37/55/235013755.db2.gz RPHIYLNOYPGMPN-BPLDGKMQSA-N 2 2 295.427 0.744 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000423596419 235013758 /nfs/dbraw/zinc/01/37/58/235013758.db2.gz RPHIYLNOYPGMPN-BPLDGKMQSA-N 2 2 295.427 0.744 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000423609859 235018738 /nfs/dbraw/zinc/01/87/38/235018738.db2.gz MPNBHUHPEDWQPO-CFVMTHIKSA-N 2 2 295.427 0.744 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000423609859 235018740 /nfs/dbraw/zinc/01/87/40/235018740.db2.gz MPNBHUHPEDWQPO-CFVMTHIKSA-N 2 2 295.427 0.744 20 0 CCADLP O=C(C1CC[NH+](CC(F)F)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000335476202 355000465 /nfs/dbraw/zinc/00/04/65/355000465.db2.gz CBVVZXMGNCXZNP-TXEJJXNPSA-N 2 2 287.354 0.641 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@]23C[C@H]2CC[NH2+]3)C[C@H](C)O1 ZINC000423758095 235061451 /nfs/dbraw/zinc/06/14/51/235061451.db2.gz FHKQNLQTZSTYBJ-COMQUAJESA-N 2 2 281.400 0.306 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@]23C[C@H]2CC[NH2+]3)C[C@H](C)O1 ZINC000423758095 235061454 /nfs/dbraw/zinc/06/14/54/235061454.db2.gz FHKQNLQTZSTYBJ-COMQUAJESA-N 2 2 281.400 0.306 20 0 CCADLP O=C(C[C@@H]1CCC[NH2+]CC1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000423763062 235065755 /nfs/dbraw/zinc/06/57/55/235065755.db2.gz TZNPEJKULJOMAV-HIFRSBDPSA-N 2 2 295.427 0.746 20 0 CCADLP O=C(C[C@@H]1CCC[NH2+]CC1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000423763062 235065758 /nfs/dbraw/zinc/06/57/58/235065758.db2.gz TZNPEJKULJOMAV-HIFRSBDPSA-N 2 2 295.427 0.746 20 0 CCADLP C[C@@]1(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC[NH2+]C1 ZINC000423803288 235086336 /nfs/dbraw/zinc/08/63/36/235086336.db2.gz PONGIJJNLWXRTP-SWLSCSKDSA-N 2 2 274.368 0.776 20 0 CCADLP C[C@]1(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC[NH2+]C1 ZINC000423803282 235086627 /nfs/dbraw/zinc/08/66/27/235086627.db2.gz PONGIJJNLWXRTP-DOMZBBRYSA-N 2 2 274.368 0.776 20 0 CCADLP CC(C)[NH2+]C1CC[NH+](CCN2CCNC2=O)CC1 ZINC000336793713 355166868 /nfs/dbraw/zinc/16/68/68/355166868.db2.gz YAHDHXWRYSFOIG-UHFFFAOYSA-N 2 2 254.378 0.474 20 0 CCADLP C[C@H](C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000424013334 235138869 /nfs/dbraw/zinc/13/88/69/235138869.db2.gz KNYQPPJRCQKUOU-JHJVBQTASA-N 2 2 269.389 0.150 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC000336691625 355137088 /nfs/dbraw/zinc/13/70/88/355137088.db2.gz BCSZDRMQIHHPGO-STQMWFEESA-N 2 2 253.390 0.929 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC000336691625 355137091 /nfs/dbraw/zinc/13/70/91/355137091.db2.gz BCSZDRMQIHHPGO-STQMWFEESA-N 2 2 253.390 0.929 20 0 CCADLP COCC[NH+]1CCN(CCn2cc[nH+]c2C)CC1 ZINC000336722623 355150068 /nfs/dbraw/zinc/15/00/68/355150068.db2.gz YIVIHVBAJCNAPS-UHFFFAOYSA-N 2 2 252.362 0.456 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000558507065 291058604 /nfs/dbraw/zinc/05/86/04/291058604.db2.gz ZIMWQFBLILDRNZ-UHFFFAOYSA-N 2 2 280.372 0.190 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000558507065 291058607 /nfs/dbraw/zinc/05/86/07/291058607.db2.gz ZIMWQFBLILDRNZ-UHFFFAOYSA-N 2 2 280.372 0.190 20 0 CCADLP c1c[nH+]c(C2CC[NH+](CCN3CCOCC3)CC2)[nH]1 ZINC000336797456 355170411 /nfs/dbraw/zinc/17/04/11/355170411.db2.gz AGAINZAJFWBIHN-UHFFFAOYSA-N 2 2 264.373 0.921 20 0 CCADLP CNS(=O)(=O)C1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000336801235 355176035 /nfs/dbraw/zinc/17/60/35/355176035.db2.gz PIGPKOYAOKEZOO-UHFFFAOYSA-N 2 2 286.401 0.205 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000336802310 355177069 /nfs/dbraw/zinc/17/70/69/355177069.db2.gz UAKDXSLPEZSOSJ-HNNXBMFYSA-N 2 2 267.417 0.879 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000424180443 235170971 /nfs/dbraw/zinc/17/09/71/235170971.db2.gz VOWLMBGXHRTZLJ-GMTAPVOTSA-N 2 2 275.343 0.865 20 0 CCADLP Cn1cc([C@@H]2C[N@H+](Cc3ccc(C(N)=O)cc3)C[C@H]2[NH3+])cn1 ZINC000424284554 235194236 /nfs/dbraw/zinc/19/42/36/235194236.db2.gz CMZUSPRGXXOLOM-LSDHHAIUSA-N 2 2 299.378 0.446 20 0 CCADLP Cn1cc([C@@H]2C[N@@H+](Cc3ccc(C(N)=O)cc3)C[C@H]2[NH3+])cn1 ZINC000424284554 235194241 /nfs/dbraw/zinc/19/42/41/235194241.db2.gz CMZUSPRGXXOLOM-LSDHHAIUSA-N 2 2 299.378 0.446 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC(O[C@H]2CCOC2)CC1)C1CC1 ZINC000336848918 355216870 /nfs/dbraw/zinc/21/68/70/355216870.db2.gz NZZDMMJIZIVAED-HOCLYGCPSA-N 2 2 298.427 0.711 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(O[C@H]2CCOC2)CC1)C1CC1 ZINC000336848918 355216872 /nfs/dbraw/zinc/21/68/72/355216872.db2.gz NZZDMMJIZIVAED-HOCLYGCPSA-N 2 2 298.427 0.711 20 0 CCADLP [NH3+]C[C@H](NC(=O)c1ccc2[nH+]ccn2c1)C(F)(F)F ZINC000655513985 412607086 /nfs/dbraw/zinc/60/70/86/412607086.db2.gz JUNUAOLTRBQEMW-QMMMGPOBSA-N 2 2 272.230 0.954 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338366700 355333819 /nfs/dbraw/zinc/33/38/19/355333819.db2.gz CQDDCCPFYFBSRA-BETUJISGSA-N 2 2 251.330 0.681 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338366700 355333821 /nfs/dbraw/zinc/33/38/21/355333821.db2.gz CQDDCCPFYFBSRA-BETUJISGSA-N 2 2 251.330 0.681 20 0 CCADLP C[C@H]1CN(c2cc[nH+]c(N3CCOCC3)n2)C[C@H](C)[NH+]1C ZINC000338786670 355419705 /nfs/dbraw/zinc/41/97/05/355419705.db2.gz OVURRTFYSCZAAQ-STQMWFEESA-N 2 2 291.399 0.842 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000338796948 355421618 /nfs/dbraw/zinc/42/16/18/355421618.db2.gz WJKZWGNCYJZWKV-IJLUTSLNSA-N 2 2 251.374 0.727 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000338796948 355421622 /nfs/dbraw/zinc/42/16/22/355421622.db2.gz WJKZWGNCYJZWKV-IJLUTSLNSA-N 2 2 251.374 0.727 20 0 CCADLP COCC(C)(C)[NH+]1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000425006849 235250342 /nfs/dbraw/zinc/25/03/42/235250342.db2.gz YQCRAHVMUBKLJQ-UHFFFAOYSA-N 2 2 294.399 0.842 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC000339090438 355485285 /nfs/dbraw/zinc/48/52/85/355485285.db2.gz HBXIHWGTYGDMSV-CQSZACIVSA-N 2 2 294.399 0.580 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC000339090438 355485288 /nfs/dbraw/zinc/48/52/88/355485288.db2.gz HBXIHWGTYGDMSV-CQSZACIVSA-N 2 2 294.399 0.580 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+]([C@H]2COC[C@@H]2O)CC1 ZINC000340286078 355549064 /nfs/dbraw/zinc/54/90/64/355549064.db2.gz LNXWIZLFECGPQU-FZKCQIBNSA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+]([C@H]2COC[C@@H]2O)CC1 ZINC000340286078 355549067 /nfs/dbraw/zinc/54/90/67/355549067.db2.gz LNXWIZLFECGPQU-FZKCQIBNSA-N 2 2 297.443 0.237 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)[C@H](C)[NH+]1CCOCC1 ZINC000355700948 299232223 /nfs/dbraw/zinc/23/22/23/299232223.db2.gz HKKGKKRGHCQGHJ-RWMBFGLXSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)[C@H](C)[NH+]1CCOCC1 ZINC000355700948 299232225 /nfs/dbraw/zinc/23/22/25/299232225.db2.gz HKKGKKRGHCQGHJ-RWMBFGLXSA-N 2 2 269.389 0.306 20 0 CCADLP Cn1cc[nH+]c1[C@H](NC[C@@H](O)C[NH+](C)C)C1CC1 ZINC000342790567 355747709 /nfs/dbraw/zinc/74/77/09/355747709.db2.gz CTIQOHNQYAXALD-VXGBXAGGSA-N 2 2 252.362 0.383 20 0 CCADLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CCC(=O)NC2(C)C)C1 ZINC000558859926 291073790 /nfs/dbraw/zinc/07/37/90/291073790.db2.gz LFAAHIRORFBMER-RYUDHWBXSA-N 2 2 253.390 0.975 20 0 CCADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCC(=O)NC2(C)C)C1 ZINC000558859926 291073791 /nfs/dbraw/zinc/07/37/91/291073791.db2.gz LFAAHIRORFBMER-RYUDHWBXSA-N 2 2 253.390 0.975 20 0 CCADLP O=C(C[C@H]1CCC[NH2+]CC1)NCCc1[nH]cc[nH+]1 ZINC000427313631 235359448 /nfs/dbraw/zinc/35/94/48/235359448.db2.gz GMPAQYYPYQRVOK-NSHDSACASA-N 2 2 250.346 0.848 20 0 CCADLP COC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343884200 355778636 /nfs/dbraw/zinc/77/86/36/355778636.db2.gz DOSNMUUZORFSJL-IHRRRGAJSA-N 2 2 283.416 0.506 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)NCC1CCC1 ZINC000428031579 235391303 /nfs/dbraw/zinc/39/13/03/235391303.db2.gz 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CC(C)[N@@H+](C)CC(=O)NCC[NH+]1CCOC[C@H]1C ZINC000355065391 356564948 /nfs/dbraw/zinc/56/49/48/356564948.db2.gz IVVMPDAVXSWEKY-GFCCVEGCSA-N 2 2 257.378 0.164 20 0 CCADLP CC(C)[NH+](C)CC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000355065391 356564951 /nfs/dbraw/zinc/56/49/51/356564951.db2.gz IVVMPDAVXSWEKY-GFCCVEGCSA-N 2 2 257.378 0.164 20 0 CCADLP CC(C)[NH+](C)CC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000355065391 356564953 /nfs/dbraw/zinc/56/49/53/356564953.db2.gz IVVMPDAVXSWEKY-GFCCVEGCSA-N 2 2 257.378 0.164 20 0 CCADLP C[N@@H+]1CC[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC000329041018 202165788 /nfs/dbraw/zinc/16/57/88/202165788.db2.gz IETYQFPLWJILNI-NWDGAFQWSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@H+]1CC[C@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC000329041018 202165791 /nfs/dbraw/zinc/16/57/91/202165791.db2.gz IETYQFPLWJILNI-NWDGAFQWSA-N 2 2 262.357 0.895 20 0 CCADLP C[C@H](C(=O)NCc1ccccc1F)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359312823 356799891 /nfs/dbraw/zinc/79/98/91/356799891.db2.gz STSGQEOVVOMSSL-BNOWGMLFSA-N 2 2 291.370 0.982 20 0 CCADLP C[C@H](C(=O)NCc1ccccc1F)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359312823 356799894 /nfs/dbraw/zinc/79/98/94/356799894.db2.gz STSGQEOVVOMSSL-BNOWGMLFSA-N 2 2 291.370 0.982 20 0 CCADLP Cc1cc(C)n2c(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)cnc2n1 ZINC000359455077 356824525 /nfs/dbraw/zinc/82/45/25/356824525.db2.gz BUJPUWJLNZHFEJ-STQMWFEESA-N 2 2 271.368 0.997 20 0 CCADLP CN(C)C(=O)c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)[nH]1 ZINC000359473797 356828293 /nfs/dbraw/zinc/82/82/93/356828293.db2.gz OEVXAESSJZTCTJ-PHIMTYICSA-N 2 2 262.357 0.368 20 0 CCADLP CN(C)C(=O)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)[nH]1 ZINC000359473797 356828298 /nfs/dbraw/zinc/82/82/98/356828298.db2.gz OEVXAESSJZTCTJ-PHIMTYICSA-N 2 2 262.357 0.368 20 0 CCADLP C[C@@H](C(=O)N1CC(n2cc[nH+]c2)C1)[NH+]1CCSCC1 ZINC000532763765 358512778 /nfs/dbraw/zinc/51/27/78/358512778.db2.gz FGLBDRMWMXNLER-NSHDSACASA-N 2 2 280.397 0.704 20 0 CCADLP C[N@H+]([C@@H](C[NH3+])C1CC1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000360004376 356933960 /nfs/dbraw/zinc/93/39/60/356933960.db2.gz XAAXVOBVDQTGFC-ZJUUUORDSA-N 2 2 279.306 0.819 20 0 CCADLP C[N@@H+]([C@@H](C[NH3+])C1CC1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000360004376 356933962 /nfs/dbraw/zinc/93/39/62/356933962.db2.gz XAAXVOBVDQTGFC-ZJUUUORDSA-N 2 2 279.306 0.819 20 0 CCADLP C[N@@H+]1CCC[C@@H](NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655697987 412646481 /nfs/dbraw/zinc/64/64/81/412646481.db2.gz XQTNMUBKVQMYKS-CABCVRRESA-N 2 2 267.417 0.924 20 0 CCADLP C[N@H+]1CCC[C@@H](NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655697987 412646485 /nfs/dbraw/zinc/64/64/85/412646485.db2.gz XQTNMUBKVQMYKS-CABCVRRESA-N 2 2 267.417 0.924 20 0 CCADLP CN1CCC[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655697987 412646487 /nfs/dbraw/zinc/64/64/87/412646487.db2.gz XQTNMUBKVQMYKS-CABCVRRESA-N 2 2 267.417 0.924 20 0 CCADLP O[C@@H]1CCC[C@@H]1[NH+]1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000360277641 356982845 /nfs/dbraw/zinc/98/28/45/356982845.db2.gz BFTKVGTVQCSLGS-QWHCGFSZSA-N 2 2 287.367 0.993 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360567696 357039938 /nfs/dbraw/zinc/03/99/38/357039938.db2.gz GWAIHDFSAAWWIK-NHYWBVRUSA-N 2 2 296.415 0.685 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360567696 357039942 /nfs/dbraw/zinc/03/99/42/357039942.db2.gz GWAIHDFSAAWWIK-NHYWBVRUSA-N 2 2 296.415 0.685 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3CC3)C2)CC1 ZINC000362712179 357056233 /nfs/dbraw/zinc/05/62/33/357056233.db2.gz VFQSYLWTGVAGIQ-GFCCVEGCSA-N 2 2 251.374 0.681 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3CC3)C2)CC1 ZINC000362712179 357056234 /nfs/dbraw/zinc/05/62/34/357056234.db2.gz VFQSYLWTGVAGIQ-GFCCVEGCSA-N 2 2 251.374 0.681 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000360820625 357042096 /nfs/dbraw/zinc/04/20/96/357042096.db2.gz VXCSSWKMBTVNDS-OUAUKWLOSA-N 2 2 273.327 0.727 20 0 CCADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000360820625 357042101 /nfs/dbraw/zinc/04/21/01/357042101.db2.gz VXCSSWKMBTVNDS-OUAUKWLOSA-N 2 2 273.327 0.727 20 0 CCADLP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCOCC2)C1 ZINC000362313990 357054572 /nfs/dbraw/zinc/05/45/72/357054572.db2.gz MJQJSPKCWHVREJ-LSDHHAIUSA-N 2 2 297.443 0.897 20 0 CCADLP C[C@H](CC(N)=O)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000360446943 357013633 /nfs/dbraw/zinc/01/36/33/357013633.db2.gz VJONWUSALCTSQM-GFCCVEGCSA-N 2 2 276.384 0.900 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000619902176 366382584 /nfs/dbraw/zinc/38/25/84/366382584.db2.gz BEFUSBGTTOTFCF-NSHDSACASA-N 2 2 250.346 0.943 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000619902176 366382591 /nfs/dbraw/zinc/38/25/91/366382591.db2.gz BEFUSBGTTOTFCF-NSHDSACASA-N 2 2 250.346 0.943 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000364366808 357112935 /nfs/dbraw/zinc/11/29/35/357112935.db2.gz QCTCTSOUFAMOQU-QWHCGFSZSA-N 2 2 278.356 0.253 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000364366808 357112940 /nfs/dbraw/zinc/11/29/40/357112940.db2.gz QCTCTSOUFAMOQU-QWHCGFSZSA-N 2 2 278.356 0.253 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC3CC3)C2)CC1 ZINC000365261069 357138099 /nfs/dbraw/zinc/13/80/99/357138099.db2.gz VEXAIHRGLBYABK-CYBMUJFWSA-N 2 2 280.416 0.864 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC3CC3)C2)CC1 ZINC000365261069 357138103 /nfs/dbraw/zinc/13/81/03/357138103.db2.gz VEXAIHRGLBYABK-CYBMUJFWSA-N 2 2 280.416 0.864 20 0 CCADLP C[C@@H]1CCOCC[NH+]1CC(O)C[N@H+]1CCOCC[C@H]1C ZINC000365706439 357165733 /nfs/dbraw/zinc/16/57/33/357165733.db2.gz QSHWQVDWDLEFRO-ZIAGYGMSSA-N 2 2 286.416 0.569 20 0 CCADLP C[C@@H]1CCOCC[NH+]1CC(O)C[N@@H+]1CCOCC[C@H]1C ZINC000365706439 357165735 /nfs/dbraw/zinc/16/57/35/357165735.db2.gz QSHWQVDWDLEFRO-ZIAGYGMSSA-N 2 2 286.416 0.569 20 0 CCADLP COCCN1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655710443 412651014 /nfs/dbraw/zinc/65/10/14/412651014.db2.gz AYYPHCSOCDJMMG-JKSUJKDBSA-N 2 2 297.443 0.550 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000366633867 357228182 /nfs/dbraw/zinc/22/81/82/357228182.db2.gz MEIQNMBEPQOQAU-UKRRQHHQSA-N 2 2 281.400 0.167 20 0 CCADLP C[C@@H]1CN(C)C[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655732483 412653001 /nfs/dbraw/zinc/65/30/01/412653001.db2.gz CTSZGUOLDWSVJT-SNPRPXQTSA-N 2 2 267.417 0.779 20 0 CCADLP Cc1cnn(C)c1C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000368022149 357308264 /nfs/dbraw/zinc/30/82/64/357308264.db2.gz NLOHZNVEIYQXMT-OAHLLOKOSA-N 2 2 291.443 0.940 20 0 CCADLP Cc1cnn(C)c1C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000368022149 357308269 /nfs/dbraw/zinc/30/82/69/357308269.db2.gz NLOHZNVEIYQXMT-OAHLLOKOSA-N 2 2 291.443 0.940 20 0 CCADLP O=C(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)NCC1CC1 ZINC000655752951 412654001 /nfs/dbraw/zinc/65/40/01/412654001.db2.gz SRHBEQYEXHUNKX-OAHLLOKOSA-N 2 2 295.427 0.746 20 0 CCADLP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1ncnn1C ZINC000344131098 283259837 /nfs/dbraw/zinc/25/98/37/283259837.db2.gz NNKJMTJBCNDAGZ-UHFFFAOYSA-N 2 2 294.447 0.665 20 0 CCADLP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1ncnn1C ZINC000344131098 283259840 /nfs/dbraw/zinc/25/98/40/283259840.db2.gz NNKJMTJBCNDAGZ-UHFFFAOYSA-N 2 2 294.447 0.665 20 0 CCADLP NC(=O)NC(=O)CCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000376559530 357479953 /nfs/dbraw/zinc/47/99/53/357479953.db2.gz WUSBCKNRKQMFMJ-GFCCVEGCSA-N 2 2 292.339 0.510 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CC(C)(C)[NH3+])C2)CC1 ZINC000377200621 357551808 /nfs/dbraw/zinc/55/18/08/357551808.db2.gz ZBZQYLMAXWSHIG-GFCCVEGCSA-N 3 2 282.432 0.399 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CC(C)(C)[NH3+])C2)CC1 ZINC000377200621 357551813 /nfs/dbraw/zinc/55/18/13/357551813.db2.gz ZBZQYLMAXWSHIG-GFCCVEGCSA-N 3 2 282.432 0.399 20 0 CCADLP Cn1cc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cn1 ZINC000377750815 357611187 /nfs/dbraw/zinc/61/11/87/357611187.db2.gz WRKCRLHZVURVTC-OAHLLOKOSA-N 2 2 277.416 0.632 20 0 CCADLP O=C(NCC[NH+]1CCOCC1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377758060 357613351 /nfs/dbraw/zinc/61/33/51/357613351.db2.gz WIMBFISVGIGJCM-UONOGXRCSA-N 2 2 281.400 0.071 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000377942680 357632901 /nfs/dbraw/zinc/63/29/01/357632901.db2.gz CIQGABJGXVGMEK-KBPBESRZSA-N 2 2 292.383 0.767 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000377942680 357632905 /nfs/dbraw/zinc/63/29/05/357632905.db2.gz CIQGABJGXVGMEK-KBPBESRZSA-N 2 2 292.383 0.767 20 0 CCADLP Cc1ccccc1[C@@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000449119167 236018136 /nfs/dbraw/zinc/01/81/36/236018136.db2.gz WTQMDCILWCTPRD-UKRRQHHQSA-N 2 2 291.395 0.832 20 0 CCADLP Cc1ccccc1[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000449119167 236018138 /nfs/dbraw/zinc/01/81/38/236018138.db2.gz WTQMDCILWCTPRD-UKRRQHHQSA-N 2 2 291.395 0.832 20 0 CCADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)CCC(=O)OCC)C1 ZINC000389291160 357736183 /nfs/dbraw/zinc/73/61/83/357736183.db2.gz KHQWNSJMMHQQLJ-CHWSQXEVSA-N 2 2 272.389 0.765 20 0 CCADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)CCC(=O)OCC)C1 ZINC000389291160 357736184 /nfs/dbraw/zinc/73/61/84/357736184.db2.gz KHQWNSJMMHQQLJ-CHWSQXEVSA-N 2 2 272.389 0.765 20 0 CCADLP C[C@@H](O)CNc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)nc[nH+]1 ZINC000294388006 199021457 /nfs/dbraw/zinc/02/14/57/199021457.db2.gz MPNYCWPHVAXCLN-UPJWGTAASA-N 2 2 291.399 0.942 20 0 CCADLP C[C@@H](O)CNc1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)nc[nH+]1 ZINC000294388006 199021458 /nfs/dbraw/zinc/02/14/58/199021458.db2.gz MPNYCWPHVAXCLN-UPJWGTAASA-N 2 2 291.399 0.942 20 0 CCADLP CC(C)[NH+]1CCC(N2CC[NH+]([C@H](C)C(N)=O)CC2)CC1 ZINC000408183958 357958275 /nfs/dbraw/zinc/95/82/75/357958275.db2.gz VRXWJWAQSPEKHX-CYBMUJFWSA-N 2 2 282.432 0.351 20 0 CCADLP CNc1nc(NC[C@H]2C[NH2+]CCCO2)[nH+]c2ccccc21 ZINC000561267730 291125435 /nfs/dbraw/zinc/12/54/35/291125435.db2.gz UNZDLUVMYMFWJV-LLVKDONJSA-N 2 2 287.367 0.306 20 0 CCADLP C[C@H]1C[C@H]([NH+]2CCCC2)CN1CC[NH+]1CCOCC1 ZINC000352815023 291126941 /nfs/dbraw/zinc/12/69/41/291126941.db2.gz KRGMODBCOMWBKK-GJZGRUSLSA-N 2 2 267.417 0.877 20 0 CCADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)[C@H]1CCCO1 ZINC000453299256 236275078 /nfs/dbraw/zinc/27/50/78/236275078.db2.gz XADNEGKRIWOZMR-BFHYXJOUSA-N 2 2 256.390 0.990 20 0 CCADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)[C@H]1CCCO1 ZINC000453299256 236275079 /nfs/dbraw/zinc/27/50/79/236275079.db2.gz XADNEGKRIWOZMR-BFHYXJOUSA-N 2 2 256.390 0.990 20 0 CCADLP C[N@@H+](Cc1ccnn1-c1ccccc1)C[C@H](O)C[NH3+] ZINC000415070270 358124520 /nfs/dbraw/zinc/12/45/20/358124520.db2.gz QJAPAHKBKSXMDU-CQSZACIVSA-N 2 2 260.341 0.624 20 0 CCADLP C[N@H+](Cc1ccnn1-c1ccccc1)C[C@H](O)C[NH3+] ZINC000415070270 358124527 /nfs/dbraw/zinc/12/45/27/358124527.db2.gz QJAPAHKBKSXMDU-CQSZACIVSA-N 2 2 260.341 0.624 20 0 CCADLP CC[NH2+]CCNC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000417777405 358139928 /nfs/dbraw/zinc/13/99/28/358139928.db2.gz CODIVOKGZXYXQY-NSHDSACASA-N 2 2 257.284 0.690 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c(nnn3C)C2)C[N@@H+]1C1CC1 ZINC000655829262 412666511 /nfs/dbraw/zinc/66/65/11/412666511.db2.gz LFTVZQAWTOVQND-IJLUTSLNSA-N 2 2 275.400 0.887 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c(nnn3C)C2)C[N@H+]1C1CC1 ZINC000655829262 412666514 /nfs/dbraw/zinc/66/65/14/412666514.db2.gz LFTVZQAWTOVQND-IJLUTSLNSA-N 2 2 275.400 0.887 20 0 CCADLP CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000375382018 283342089 /nfs/dbraw/zinc/34/20/89/283342089.db2.gz VTLSAGMVYKKHAE-LBPRGKRZSA-N 2 2 254.378 0.426 20 0 CCADLP CNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000375382018 283342094 /nfs/dbraw/zinc/34/20/94/283342094.db2.gz VTLSAGMVYKKHAE-LBPRGKRZSA-N 2 2 254.378 0.426 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420353143 358180039 /nfs/dbraw/zinc/18/00/39/358180039.db2.gz AGOONJBEIYYAEA-ZRUFSTJUSA-N 2 2 270.377 0.197 20 0 CCADLP C[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000422720877 358192381 /nfs/dbraw/zinc/19/23/81/358192381.db2.gz UBEAHRONBTYIJZ-QLFBSQMISA-N 3 2 268.449 0.458 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000422823686 358193617 /nfs/dbraw/zinc/19/36/17/358193617.db2.gz DWEBSFOXCVUKAS-TZMCWYRMSA-N 2 2 283.416 0.602 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000422823686 358193618 /nfs/dbraw/zinc/19/36/18/358193618.db2.gz DWEBSFOXCVUKAS-TZMCWYRMSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000423020040 358196414 /nfs/dbraw/zinc/19/64/14/358196414.db2.gz YKOWYZAVBLSSFI-VOAKCMCISA-N 2 2 269.389 0.210 20 0 CCADLP C[N@H+](CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)C1CC1 ZINC000496602231 358325389 /nfs/dbraw/zinc/32/53/89/358325389.db2.gz FIZVAWZUFVNXKL-AWEZNQCLSA-N 2 2 265.357 0.955 20 0 CCADLP C[N@@H+](CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)C1CC1 ZINC000496602231 358325395 /nfs/dbraw/zinc/32/53/95/358325395.db2.gz FIZVAWZUFVNXKL-AWEZNQCLSA-N 2 2 265.357 0.955 20 0 CCADLP CCn1ncc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000530206346 358378893 /nfs/dbraw/zinc/37/88/93/358378893.db2.gz ASYMQLQIQXOIML-HZSPNIEDSA-N 2 2 279.388 0.545 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)C1 ZINC000565549052 358563356 /nfs/dbraw/zinc/56/33/56/358563356.db2.gz MHCABJRIDDESKC-QLFBSQMISA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)C1 ZINC000565549052 358563358 /nfs/dbraw/zinc/56/33/58/358563358.db2.gz MHCABJRIDDESKC-QLFBSQMISA-N 2 2 295.427 0.650 20 0 CCADLP C[C@H](C[NH2+]CCc1cn2ccccc2[nH+]1)S(C)(=O)=O ZINC000565594645 358563479 /nfs/dbraw/zinc/56/34/79/358563479.db2.gz ZZZHFURYHFJFFD-LLVKDONJSA-N 2 2 281.381 0.900 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)no1 ZINC000567709270 358575957 /nfs/dbraw/zinc/57/59/57/358575957.db2.gz RGNAPPWURPDEDJ-JTQLQIEISA-N 2 2 289.339 0.604 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)no1 ZINC000567709270 358575960 /nfs/dbraw/zinc/57/59/60/358575960.db2.gz RGNAPPWURPDEDJ-JTQLQIEISA-N 2 2 289.339 0.604 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000567741738 358579958 /nfs/dbraw/zinc/57/99/58/358579958.db2.gz CAEYYBJGUPANMO-LSDHHAIUSA-N 3 2 269.433 0.907 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000567741738 358579959 /nfs/dbraw/zinc/57/99/59/358579959.db2.gz CAEYYBJGUPANMO-LSDHHAIUSA-N 3 2 269.433 0.907 20 0 CCADLP [NH3+]Cc1noc(CC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000567849773 358599958 /nfs/dbraw/zinc/59/99/58/358599958.db2.gz DLUBXOPGHWVFMW-UHFFFAOYSA-N 2 2 287.367 0.893 20 0 CCADLP COCC[N@H+]1CCCN(C(=O)c2c[nH+]ccc2N)CC1 ZINC000567914069 358614183 /nfs/dbraw/zinc/61/41/83/358614183.db2.gz VVLYLUSLYMMKOT-UHFFFAOYSA-N 2 2 278.356 0.288 20 0 CCADLP COC[C@]1(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)CC[NH2+]C1 ZINC000567972615 358619449 /nfs/dbraw/zinc/61/94/49/358619449.db2.gz AHBKXINFRVPGDI-OCCSQVGLSA-N 2 2 280.372 0.262 20 0 CCADLP CC(C)n1nccc1NC(=O)[C@H](C)[N@H+](C)C[C@H](O)C[NH3+] ZINC000567990397 358623478 /nfs/dbraw/zinc/62/34/78/358623478.db2.gz ZBXNVNZLLJFHAD-WDEREUQCSA-N 2 2 283.376 0.042 20 0 CCADLP CC(C)n1nccc1NC(=O)[C@H](C)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000567990397 358623480 /nfs/dbraw/zinc/62/34/80/358623480.db2.gz ZBXNVNZLLJFHAD-WDEREUQCSA-N 2 2 283.376 0.042 20 0 CCADLP C[C@@H](CC(=O)NCC[N@@H+]1CCOC[C@H]1C)n1cc[nH+]c1 ZINC000568021331 358626270 /nfs/dbraw/zinc/62/62/70/358626270.db2.gz QKTZIDCHJWGYKX-QWHCGFSZSA-N 2 2 280.372 0.671 20 0 CCADLP C[C@@H](CC(=O)NCC[N@H+]1CCOC[C@H]1C)n1cc[nH+]c1 ZINC000568021331 358626273 /nfs/dbraw/zinc/62/62/73/358626273.db2.gz QKTZIDCHJWGYKX-QWHCGFSZSA-N 2 2 280.372 0.671 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(Cc2cc(C)on2)CC1 ZINC000568051325 358628492 /nfs/dbraw/zinc/62/84/92/358628492.db2.gz CNEJCKYWQSKGHF-CQSZACIVSA-N 2 2 282.388 0.071 20 0 CCADLP COC(=O)[C@H]1CC[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000568086111 358632399 /nfs/dbraw/zinc/63/23/99/358632399.db2.gz AKFGOJAFMLESIJ-AVGNSLFASA-N 2 2 297.399 0.067 20 0 CCADLP COC(=O)[C@H]1CC[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000568086111 358632402 /nfs/dbraw/zinc/63/24/02/358632402.db2.gz AKFGOJAFMLESIJ-AVGNSLFASA-N 2 2 297.399 0.067 20 0 CCADLP CC(C)[NH2+]CCC(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000567800489 358587779 /nfs/dbraw/zinc/58/77/79/358587779.db2.gz RIDOEHYFAKEQAU-ZDUSSCGKSA-N 2 2 270.421 0.127 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000568204821 358646838 /nfs/dbraw/zinc/64/68/38/358646838.db2.gz WBNNBDADUARRQJ-UHFFFAOYSA-N 2 2 274.328 0.035 20 0 CCADLP CN(CCC[NH3+])C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000568295931 358664023 /nfs/dbraw/zinc/66/40/23/358664023.db2.gz TVIMPHNLZURMAM-UHFFFAOYSA-N 2 2 261.329 0.825 20 0 CCADLP C[C@@H](CNC(=O)[C@]1(C)CCC[NH2+]1)Cn1cc[nH+]c1 ZINC000568515163 358681288 /nfs/dbraw/zinc/68/12/88/358681288.db2.gz HKBWUCGZWPNZNY-AAEUAGOBSA-N 2 2 250.346 0.778 20 0 CCADLP CCC[NH2+]CCNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000417498442 283388351 /nfs/dbraw/zinc/38/83/51/283388351.db2.gz DPMMIHZBDYDNNN-UHFFFAOYSA-N 2 2 286.420 0.396 20 0 CCADLP CCC[NH2+]CCNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000417498442 283388353 /nfs/dbraw/zinc/38/83/53/283388353.db2.gz DPMMIHZBDYDNNN-UHFFFAOYSA-N 2 2 286.420 0.396 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)NCC(F)(F)C[NH3+] ZINC000568731040 358698709 /nfs/dbraw/zinc/69/87/09/358698709.db2.gz IUZAOTPSGHJOKZ-VIFPVBQESA-N 2 2 264.320 0.316 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCC(F)(F)C[NH3+] ZINC000568731040 358698714 /nfs/dbraw/zinc/69/87/14/358698714.db2.gz IUZAOTPSGHJOKZ-VIFPVBQESA-N 2 2 264.320 0.316 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000569234835 358746153 /nfs/dbraw/zinc/74/61/53/358746153.db2.gz LYZYAPJJMNFMTC-UONOGXRCSA-N 2 2 297.443 0.536 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000569234835 358746156 /nfs/dbraw/zinc/74/61/56/358746156.db2.gz LYZYAPJJMNFMTC-UONOGXRCSA-N 2 2 297.443 0.536 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@H](CO)Cc1ccncc1)C1CC1 ZINC000569122977 358737656 /nfs/dbraw/zinc/73/76/56/358737656.db2.gz QVLUXHWWZOSRGU-ZFWWWQNUSA-N 2 2 279.384 0.030 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H](CO)Cc1ccncc1)C1CC1 ZINC000569122977 358737659 /nfs/dbraw/zinc/73/76/59/358737659.db2.gz QVLUXHWWZOSRGU-ZFWWWQNUSA-N 2 2 279.384 0.030 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000569986967 358813052 /nfs/dbraw/zinc/81/30/52/358813052.db2.gz LLEKQXWNVJENEE-STQMWFEESA-N 2 2 296.415 0.797 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000569986967 358813054 /nfs/dbraw/zinc/81/30/54/358813054.db2.gz LLEKQXWNVJENEE-STQMWFEESA-N 2 2 296.415 0.797 20 0 CCADLP Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H](O)C[NH+](C)C ZINC000570044235 358816787 /nfs/dbraw/zinc/81/67/87/358816787.db2.gz CDPARMXBAIRGBT-KBPBESRZSA-N 2 2 282.384 0.247 20 0 CCADLP C[NH2+]CCC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000569572993 358773966 /nfs/dbraw/zinc/77/39/66/358773966.db2.gz KNXWIHQRRGTDFQ-UHFFFAOYSA-N 2 2 278.356 0.775 20 0 CCADLP [NH3+]C1(C(=O)NCc2ccc[nH+]c2N2CCOCC2)CCC1 ZINC000569600491 358777815 /nfs/dbraw/zinc/77/78/15/358777815.db2.gz RSVPBKYPXMPSLB-UHFFFAOYSA-N 2 2 290.367 0.416 20 0 CCADLP OCC1([NH2+]CC2CC2)CC[NH+](CCn2cccn2)CC1 ZINC000570401357 358853888 /nfs/dbraw/zinc/85/38/88/358853888.db2.gz QDVRGUKLVOMJEK-UHFFFAOYSA-N 2 2 278.400 0.710 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)CCO1 ZINC000570794872 358894924 /nfs/dbraw/zinc/89/49/24/358894924.db2.gz IRGQIXUUGWBKCT-RYPNDVFKSA-N 2 2 286.416 0.614 20 0 CCADLP C[C@H](c1ccccc1)[C@H](O)C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000570955737 358898489 /nfs/dbraw/zinc/89/84/89/358898489.db2.gz GMBRDRHQHBACFP-DJIMGWMZSA-N 2 2 291.439 0.986 20 0 CCADLP C[C@H](c1ccccc1)[C@H](O)C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000570955737 358898491 /nfs/dbraw/zinc/89/84/91/358898491.db2.gz GMBRDRHQHBACFP-DJIMGWMZSA-N 2 2 291.439 0.986 20 0 CCADLP COCCOCCOCCC[NH2+]Cc1c[nH+]c(C)n1C ZINC000570986637 358901474 /nfs/dbraw/zinc/90/14/74/358901474.db2.gz JIRUJCSPEAPBMN-UHFFFAOYSA-N 2 2 285.388 0.888 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)NCc2c[nH+]cn2C)CCO1 ZINC000571014940 358904200 /nfs/dbraw/zinc/90/42/00/358904200.db2.gz URWMUTURIUFCPO-ZDUSSCGKSA-N 2 2 295.387 0.330 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)NCc2c[nH+]cn2C)CCO1 ZINC000571014940 358904206 /nfs/dbraw/zinc/90/42/06/358904206.db2.gz URWMUTURIUFCPO-ZDUSSCGKSA-N 2 2 295.387 0.330 20 0 CCADLP C[N@@H+]1CCN(Cc2cc(C(F)(F)F)n[nH]2)[C@H](C[NH3+])C1 ZINC000573445919 358967444 /nfs/dbraw/zinc/96/74/44/358967444.db2.gz ZYNKVVUFYZZOCX-SECBINFHSA-N 2 2 277.294 0.503 20 0 CCADLP C[N@H+]1CCN(Cc2cc(C(F)(F)F)n[nH]2)[C@H](C[NH3+])C1 ZINC000573445919 358967448 /nfs/dbraw/zinc/96/74/48/358967448.db2.gz ZYNKVVUFYZZOCX-SECBINFHSA-N 2 2 277.294 0.503 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCc2cccc(F)c2)[C@@H](C[NH3+])C1 ZINC000573073832 358935508 /nfs/dbraw/zinc/93/55/08/358935508.db2.gz HDRLXVUAPJEUNR-AWEZNQCLSA-N 2 2 294.374 0.653 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCc2cccc(F)c2)[C@@H](C[NH3+])C1 ZINC000573073832 358935510 /nfs/dbraw/zinc/93/55/10/358935510.db2.gz HDRLXVUAPJEUNR-AWEZNQCLSA-N 2 2 294.374 0.653 20 0 CCADLP O=C(C[NH2+]C1CC1)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000573117013 358939313 /nfs/dbraw/zinc/93/93/13/358939313.db2.gz BKAFKLISLZIWMJ-KBPBESRZSA-N 2 2 281.400 0.498 20 0 CCADLP Cc1cccc2[nH+]c(CN3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)cn21 ZINC000573220463 358949534 /nfs/dbraw/zinc/94/95/34/358949534.db2.gz ANUKXJZNWINISR-UONOGXRCSA-N 2 2 299.378 0.387 20 0 CCADLP COC(C)(C)C[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000562804347 291167908 /nfs/dbraw/zinc/16/79/08/291167908.db2.gz GWGDPHDXOQTVII-NWDGAFQWSA-N 2 2 286.420 0.474 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CC2(CC(N)=O)CC2)C[N@@H+]1C1CC1 ZINC000574187432 359036835 /nfs/dbraw/zinc/03/68/35/359036835.db2.gz NEIBTPMDYIFJKI-WDEREUQCSA-N 2 2 251.374 0.857 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CC2(CC(N)=O)CC2)C[N@H+]1C1CC1 ZINC000574187432 359036839 /nfs/dbraw/zinc/03/68/39/359036839.db2.gz NEIBTPMDYIFJKI-WDEREUQCSA-N 2 2 251.374 0.857 20 0 CCADLP CN(C(=O)C[NH+]1CC(C)(C)C1)[C@H]1C[NH+]2CCC1CC2 ZINC000573624566 358985833 /nfs/dbraw/zinc/98/58/33/358985833.db2.gz ZFELYIITMSFVPZ-ZDUSSCGKSA-N 2 2 265.401 0.881 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000573625669 358986379 /nfs/dbraw/zinc/98/63/79/358986379.db2.gz ANVVXKZKZAKDFD-GXSJLCMTSA-N 2 2 251.334 0.549 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000573625669 358986381 /nfs/dbraw/zinc/98/63/81/358986381.db2.gz ANVVXKZKZAKDFD-GXSJLCMTSA-N 2 2 251.334 0.549 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]([NH3+])c1cscn1)C[NH+]1CCOCC1 ZINC000573918097 359011700 /nfs/dbraw/zinc/01/17/00/359011700.db2.gz NGZVIHQFTJXATD-JQWIXIFHSA-N 2 2 298.412 0.227 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCC(C)(C)O)C[C@H](C)O1 ZINC000580316758 359081946 /nfs/dbraw/zinc/08/19/46/359081946.db2.gz ZZYXGNXLUBMSQW-FRRDWIJNSA-N 2 2 274.405 0.207 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCC(C)(C)O)C[C@H](C)O1 ZINC000580316758 359081949 /nfs/dbraw/zinc/08/19/49/359081949.db2.gz ZZYXGNXLUBMSQW-FRRDWIJNSA-N 2 2 274.405 0.207 20 0 CCADLP CCC([NH3+])(CC)CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000580951153 359112420 /nfs/dbraw/zinc/11/24/20/359112420.db2.gz XYSKOFDMAIDBKW-UHFFFAOYSA-N 2 2 288.355 0.910 20 0 CCADLP CNC(=O)Cc1nc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cs1 ZINC000584616272 359181511 /nfs/dbraw/zinc/18/15/11/359181511.db2.gz IUVIHLGTFRKGFS-MNOVXSKESA-N 2 2 296.440 0.848 20 0 CCADLP CNC(=O)Cc1nc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cs1 ZINC000584616272 359181513 /nfs/dbraw/zinc/18/15/13/359181513.db2.gz IUVIHLGTFRKGFS-MNOVXSKESA-N 2 2 296.440 0.848 20 0 CCADLP CC[C@@]1(CO)CCC[N@@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000582309171 359134386 /nfs/dbraw/zinc/13/43/86/359134386.db2.gz QMAJBGARVNQIDI-KGLIPLIRSA-N 2 2 274.405 0.162 20 0 CCADLP CC[C@@]1(CO)CCC[N@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000582309171 359134390 /nfs/dbraw/zinc/13/43/90/359134390.db2.gz QMAJBGARVNQIDI-KGLIPLIRSA-N 2 2 274.405 0.162 20 0 CCADLP CC[C@@]1(CO)CCC[NH+]1C[C@H](O)C[N@H+](C)CCOC ZINC000582309171 359134394 /nfs/dbraw/zinc/13/43/94/359134394.db2.gz QMAJBGARVNQIDI-KGLIPLIRSA-N 2 2 274.405 0.162 20 0 CCADLP CC[C@@]1(CO)CCC[NH+]1C[C@H](O)C[N@@H+](C)CCOC ZINC000582309171 359134400 /nfs/dbraw/zinc/13/44/00/359134400.db2.gz QMAJBGARVNQIDI-KGLIPLIRSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000584847594 359218838 /nfs/dbraw/zinc/21/88/38/359218838.db2.gz SBRLARPOYNVIKC-LLVKDONJSA-N 2 2 296.358 0.018 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000584847594 359218843 /nfs/dbraw/zinc/21/88/43/359218843.db2.gz SBRLARPOYNVIKC-LLVKDONJSA-N 2 2 296.358 0.018 20 0 CCADLP CC[C@@]1(C)C[N@H+](C[C@@H](O)C[NH+](C)CCOC)CCO1 ZINC000562933295 291173568 /nfs/dbraw/zinc/17/35/68/291173568.db2.gz FCWLIGQGTCCVMQ-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP CC[C@@]1(C)C[N@@H+](C[C@@H](O)C[NH+](C)CCOC)CCO1 ZINC000562933295 291173569 /nfs/dbraw/zinc/17/35/69/291173569.db2.gz FCWLIGQGTCCVMQ-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP CC[C@@]1(C)C[NH+](C[C@@H](O)C[N@H+](C)CCOC)CCO1 ZINC000562933295 291173571 /nfs/dbraw/zinc/17/35/71/291173571.db2.gz FCWLIGQGTCCVMQ-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP CC[C@@]1(C)C[NH+](C[C@@H](O)C[N@@H+](C)CCOC)CCO1 ZINC000562933295 291173573 /nfs/dbraw/zinc/17/35/73/291173573.db2.gz FCWLIGQGTCCVMQ-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000562977868 291177349 /nfs/dbraw/zinc/17/73/49/291177349.db2.gz OCNOURDPKWWYPG-LLVKDONJSA-N 2 2 266.345 0.147 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@H]2CC(=O)N3CCCC[C@@H]23)n1C ZINC000574053311 334988693 /nfs/dbraw/zinc/98/86/93/334988693.db2.gz CAQPAPFUKONFDI-STQMWFEESA-N 2 2 262.357 0.972 20 0 CCADLP CC(C)OCC[C@@H](O)C[NH2+]CCc1cn(C)c[nH+]1 ZINC000563000790 291180116 /nfs/dbraw/zinc/18/01/16/291180116.db2.gz NOKBQAXTZLODMF-CYBMUJFWSA-N 2 2 255.362 0.728 20 0 CCADLP CCOC(=O)CC[C@@H](O)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000563014071 291181600 /nfs/dbraw/zinc/18/16/00/291181600.db2.gz UVXOBAHTZXRVGR-NWDGAFQWSA-N 2 2 281.356 0.492 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)/C=C\C[NH+](C)C)C1 ZINC000492300457 237137729 /nfs/dbraw/zinc/13/77/29/237137729.db2.gz FLVNAWBUBCNAIT-QMAVJUDZSA-N 2 2 262.357 0.854 20 0 CCADLP C[NH+]1CCC(NC(=O)CCCn2cc[nH+]c2)CC1 ZINC000591643202 359624039 /nfs/dbraw/zinc/62/40/39/359624039.db2.gz NSZBEAUVGXAXBE-UHFFFAOYSA-N 2 2 250.346 0.874 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[C@H](F)C2)[C@@H](C[NH3+])C1 ZINC000563092357 291191509 /nfs/dbraw/zinc/19/15/09/291191509.db2.gz MWGADBOYHQBURI-TUAOUCFPSA-N 2 2 272.368 0.551 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCC[C@H](F)C2)[C@@H](C[NH3+])C1 ZINC000563092357 291191510 /nfs/dbraw/zinc/19/15/10/291191510.db2.gz MWGADBOYHQBURI-TUAOUCFPSA-N 2 2 272.368 0.551 20 0 CCADLP C[NH+](C)C1(CNC(=O)C=Cc2c[nH]c[nH+]2)CCOCC1 ZINC000492863263 237323760 /nfs/dbraw/zinc/32/37/60/237323760.db2.gz MDJKTNCQGZWDSE-ONEGZZNKSA-N 2 2 278.356 0.650 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCOc2ccccc2F)[C@@H](C[NH3+])C1 ZINC000563152868 291200166 /nfs/dbraw/zinc/20/01/66/291200166.db2.gz OMGAVBKFVTWHRV-LBPRGKRZSA-N 2 2 295.358 0.696 20 0 CCADLP C[N@H+]1CCN(C(=O)CCOc2ccccc2F)[C@@H](C[NH3+])C1 ZINC000563152868 291200167 /nfs/dbraw/zinc/20/01/67/291200167.db2.gz OMGAVBKFVTWHRV-LBPRGKRZSA-N 2 2 295.358 0.696 20 0 CCADLP Cn1cc(C[NH+]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000592314510 359816912 /nfs/dbraw/zinc/81/69/12/359816912.db2.gz BRXNSDZDXRKTMK-AWEZNQCLSA-N 2 2 291.399 0.016 20 0 CCADLP Cn1cc(C[NH+]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000592314510 359816913 /nfs/dbraw/zinc/81/69/13/359816913.db2.gz BRXNSDZDXRKTMK-AWEZNQCLSA-N 2 2 291.399 0.016 20 0 CCADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000592314541 359817007 /nfs/dbraw/zinc/81/70/07/359817007.db2.gz BXGIUDWMVWQNDJ-ZDUSSCGKSA-N 2 2 291.399 0.016 20 0 CCADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000592314541 359817008 /nfs/dbraw/zinc/81/70/08/359817008.db2.gz BXGIUDWMVWQNDJ-ZDUSSCGKSA-N 2 2 291.399 0.016 20 0 CCADLP Cc1cn2ccc(NC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)cc2[nH+]1 ZINC000620650357 366556192 /nfs/dbraw/zinc/55/61/92/366556192.db2.gz UDYCBSJYZCZJIJ-AWEZNQCLSA-N 2 2 299.378 0.971 20 0 CCADLP Cc1cn2ccc(NC(=O)[C@@H]3C[N@H+]4CCN3CCC4)cc2[nH+]1 ZINC000620650357 366556193 /nfs/dbraw/zinc/55/61/93/366556193.db2.gz UDYCBSJYZCZJIJ-AWEZNQCLSA-N 2 2 299.378 0.971 20 0 CCADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+](C)CCC[NH3+] ZINC000592473757 359849640 /nfs/dbraw/zinc/84/96/40/359849640.db2.gz MMOSUHPCFGSFMW-NEPJUHHUSA-N 2 2 284.404 0.672 20 0 CCADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+](C)CCC[NH3+] ZINC000592473757 359849644 /nfs/dbraw/zinc/84/96/44/359849644.db2.gz MMOSUHPCFGSFMW-NEPJUHHUSA-N 2 2 284.404 0.672 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471293 359850199 /nfs/dbraw/zinc/85/01/99/359850199.db2.gz RPTLBSDKYOYALL-UHFFFAOYSA-N 2 2 296.415 0.829 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471293 359850201 /nfs/dbraw/zinc/85/02/01/359850201.db2.gz RPTLBSDKYOYALL-UHFFFAOYSA-N 2 2 296.415 0.829 20 0 CCADLP CCC[N@H+](CCc1c[nH+]cn1C)[C@@H]1CC(=O)N(C)C1=O ZINC000297668080 200258338 /nfs/dbraw/zinc/25/83/38/200258338.db2.gz OKMOYLIJWGFUGM-GFCCVEGCSA-N 2 2 278.356 0.432 20 0 CCADLP CCC[N@@H+](CCc1c[nH+]cn1C)[C@@H]1CC(=O)N(C)C1=O ZINC000297668080 200258340 /nfs/dbraw/zinc/25/83/40/200258340.db2.gz OKMOYLIJWGFUGM-GFCCVEGCSA-N 2 2 278.356 0.432 20 0 CCADLP CC1([NH3+])CC[NH+](CC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000592484977 359852951 /nfs/dbraw/zinc/85/29/51/359852951.db2.gz LQDLSUNUUOCSFO-UHFFFAOYSA-N 2 2 296.293 0.188 20 0 CCADLP COC(=O)C(C)(C)CC[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000592428573 359835821 /nfs/dbraw/zinc/83/58/21/359835821.db2.gz BDGSPIMTDWZFTM-MNOVXSKESA-N 2 2 258.362 0.624 20 0 CCADLP COC(=O)C(C)(C)CC[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000592428573 359835826 /nfs/dbraw/zinc/83/58/26/359835826.db2.gz BDGSPIMTDWZFTM-MNOVXSKESA-N 2 2 258.362 0.624 20 0 CCADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000424182810 291209548 /nfs/dbraw/zinc/20/95/48/291209548.db2.gz AIHDRLXZNIEQLO-RISCZKNCSA-N 2 2 292.383 0.555 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@@H]2COCCO2)C1 ZINC000563351299 291215793 /nfs/dbraw/zinc/21/57/93/291215793.db2.gz YMSMQDPFKUJLCD-NWDGAFQWSA-N 2 2 251.330 0.625 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@@H]2COCCO2)C1 ZINC000563351299 291215795 /nfs/dbraw/zinc/21/57/95/291215795.db2.gz YMSMQDPFKUJLCD-NWDGAFQWSA-N 2 2 251.330 0.625 20 0 CCADLP COC(=O)c1ccc(F)c(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000593902385 360201627 /nfs/dbraw/zinc/20/16/27/360201627.db2.gz SESSIAMADFOXNJ-NSHDSACASA-N 2 2 297.330 0.830 20 0 CCADLP CC[C@H](C)C[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(=O)OC ZINC000593907406 360204055 /nfs/dbraw/zinc/20/40/55/360204055.db2.gz SBJUCOISXFZVMX-SRVKXCTJSA-N 2 2 287.404 0.359 20 0 CCADLP C[C@H](C[S@@](C)=O)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000594500133 360323398 /nfs/dbraw/zinc/32/33/98/360323398.db2.gz LJBGTSDAZVGYKY-SPKLELGKSA-N 2 2 288.457 0.986 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000595142213 360443269 /nfs/dbraw/zinc/44/32/69/360443269.db2.gz PHIMQDUJAKUTPF-VXGBXAGGSA-N 2 2 260.345 0.800 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000594922023 360415405 /nfs/dbraw/zinc/41/54/05/360415405.db2.gz OEFMPCPQUCJSLZ-REWJHTLYSA-N 2 2 284.400 0.742 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000594942873 360422894 /nfs/dbraw/zinc/42/28/94/360422894.db2.gz CTFSHGNELPXACE-REWJHTLYSA-N 2 2 284.400 0.620 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000594942873 360422899 /nfs/dbraw/zinc/42/28/99/360422899.db2.gz CTFSHGNELPXACE-REWJHTLYSA-N 2 2 284.400 0.620 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595506925 360555018 /nfs/dbraw/zinc/55/50/18/360555018.db2.gz IUIQJKSOCZBSMS-WFASDCNBSA-N 2 2 296.415 0.638 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595506925 360555020 /nfs/dbraw/zinc/55/50/20/360555020.db2.gz IUIQJKSOCZBSMS-WFASDCNBSA-N 2 2 296.415 0.638 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595506925 360555023 /nfs/dbraw/zinc/55/50/23/360555023.db2.gz IUIQJKSOCZBSMS-WFASDCNBSA-N 2 2 296.415 0.638 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595506925 360555027 /nfs/dbraw/zinc/55/50/27/360555027.db2.gz IUIQJKSOCZBSMS-WFASDCNBSA-N 2 2 296.415 0.638 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655929042 412703536 /nfs/dbraw/zinc/70/35/36/412703536.db2.gz XRTMXLHXEWRZKH-SSDOTTSWSA-N 2 2 279.266 0.592 20 0 CCADLP Cc1[nH+]c2ccccc2n1CC(=O)N[C@H]1CC[NH2+]C1 ZINC000178458090 189118253 /nfs/dbraw/zinc/11/82/53/189118253.db2.gz XMMYMRGHGXXVHT-NSHDSACASA-N 2 2 258.325 0.823 20 0 CCADLP COC(=O)[C@@H](c1cccc(OC)c1)[N@H+](C)CCOCC[NH3+] ZINC000595902717 360698471 /nfs/dbraw/zinc/69/84/71/360698471.db2.gz MCIYATXFZHADSN-CQSZACIVSA-N 2 2 296.367 0.816 20 0 CCADLP COC(=O)[C@@H](c1cccc(OC)c1)[N@@H+](C)CCOCC[NH3+] ZINC000595902717 360698477 /nfs/dbraw/zinc/69/84/77/360698477.db2.gz MCIYATXFZHADSN-CQSZACIVSA-N 2 2 296.367 0.816 20 0 CCADLP COC(=O)[C@@H]1CC[N@H+](C[C@H]2C[NH2+]CCO2)C[C@@H]1C ZINC000595905208 360699540 /nfs/dbraw/zinc/69/95/40/360699540.db2.gz QRHXLMPMWFJRQU-QJPTWQEYSA-N 2 2 256.346 0.106 20 0 CCADLP COC(=O)[C@@H]1CC[N@@H+](C[C@H]2C[NH2+]CCO2)C[C@@H]1C ZINC000595905208 360699543 /nfs/dbraw/zinc/69/95/43/360699543.db2.gz QRHXLMPMWFJRQU-QJPTWQEYSA-N 2 2 256.346 0.106 20 0 CCADLP O=C(Cc1cn2ccccc2[nH+]1)NC[C@H]1CCC[NH2+]1 ZINC000178717827 189140199 /nfs/dbraw/zinc/14/01/99/189140199.db2.gz PEBQKUKRDPKJAR-LLVKDONJSA-N 2 2 258.325 0.745 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)[C@@H]3CC[NH2+]C3)cn21 ZINC000178786972 189146085 /nfs/dbraw/zinc/14/60/85/189146085.db2.gz FDWBIYSSVIXTAM-LLVKDONJSA-N 2 2 258.325 0.868 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC(N2CN=NC2=O)CC1)C1CC1 ZINC000563546113 291237401 /nfs/dbraw/zinc/23/74/01/291237401.db2.gz ZAQJLSSYNVHTMW-ZDUSSCGKSA-N 2 2 295.387 0.076 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(N2CN=NC2=O)CC1)C1CC1 ZINC000563546113 291237405 /nfs/dbraw/zinc/23/74/05/291237405.db2.gz ZAQJLSSYNVHTMW-ZDUSSCGKSA-N 2 2 295.387 0.076 20 0 CCADLP CN(C)c1cc[nH+]cc1C[NH2+]CCN1CCOCC1 ZINC000563574703 291238728 /nfs/dbraw/zinc/23/87/28/291238728.db2.gz RMEHDWIKALCACI-UHFFFAOYSA-N 2 2 264.373 0.569 20 0 CCADLP COC(=O)[C@@H](CC(C)C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000352029815 291240762 /nfs/dbraw/zinc/24/07/62/291240762.db2.gz SMHCXCOLFKCDSY-CQSZACIVSA-N 2 2 286.416 0.963 20 0 CCADLP COC(=O)[C@@H](CC(C)C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000352029815 291240764 /nfs/dbraw/zinc/24/07/64/291240764.db2.gz SMHCXCOLFKCDSY-CQSZACIVSA-N 2 2 286.416 0.963 20 0 CCADLP COC(=O)c1oc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1C ZINC000597087213 361006363 /nfs/dbraw/zinc/00/63/63/361006363.db2.gz RCWQOFTVGJJTBP-AWEZNQCLSA-N 2 2 282.340 0.531 20 0 CCADLP COC(=O)c1oc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1C ZINC000597087213 361006364 /nfs/dbraw/zinc/00/63/64/361006364.db2.gz RCWQOFTVGJJTBP-AWEZNQCLSA-N 2 2 282.340 0.531 20 0 CCADLP COC(=O)[C@@H]1CN(Cc2c[nH+]c3n2CCC3)CC[N@H+](C)C1 ZINC000597151648 361016099 /nfs/dbraw/zinc/01/60/99/361016099.db2.gz RDQGQDULEAVECT-LBPRGKRZSA-N 2 2 292.383 0.366 20 0 CCADLP COC(=O)[C@@H]1CN(Cc2c[nH+]c3n2CCC3)CC[N@@H+](C)C1 ZINC000597151648 361016107 /nfs/dbraw/zinc/01/61/07/361016107.db2.gz RDQGQDULEAVECT-LBPRGKRZSA-N 2 2 292.383 0.366 20 0 CCADLP O=C(NCCc1cn2ccccc2[nH+]1)NC[C@H]1CCC[NH2+]1 ZINC000563874607 291255201 /nfs/dbraw/zinc/25/52/01/291255201.db2.gz PBQHCTNZMJYCKG-GFCCVEGCSA-N 2 2 287.367 0.928 20 0 CCADLP O=C(NC[C@@H]1C[NH2+]CCCO1)c1ccc2[nH+]ccn2c1 ZINC000563886413 291256309 /nfs/dbraw/zinc/25/63/09/291256309.db2.gz XKJUITWVTVOZDO-LBPRGKRZSA-N 2 2 274.324 0.443 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC000611761119 363778427 /nfs/dbraw/zinc/77/84/27/363778427.db2.gz XHSLIOLGXAQWJW-UHFFFAOYSA-N 2 2 283.416 0.650 20 0 CCADLP Cc1nc(NC[C@@](C)(O)C[NH+]2CCOCC2)c(C)c(C)[nH+]1 ZINC000301700913 201147096 /nfs/dbraw/zinc/14/70/96/201147096.db2.gz SKQUOFKLVKEPJD-OAHLLOKOSA-N 2 2 294.399 0.897 20 0 CCADLP C[N@@H+]1CCN(C(=O)C[C@H]([NH3+])Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000564309012 291273903 /nfs/dbraw/zinc/27/39/03/291273903.db2.gz YRMRPATZWZFJNG-HUUCEWRRSA-N 3 2 290.411 0.048 20 0 CCADLP C[N@H+]1CCN(C(=O)C[C@H]([NH3+])Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000564309012 291273904 /nfs/dbraw/zinc/27/39/04/291273904.db2.gz YRMRPATZWZFJNG-HUUCEWRRSA-N 3 2 290.411 0.048 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)COC2CCC([NH3+])CC2)CCO1 ZINC000564333944 291275492 /nfs/dbraw/zinc/27/54/92/291275492.db2.gz KABJECZMQUBJMB-IYXRBSQSSA-N 2 2 299.415 0.110 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)COC2CCC([NH3+])CC2)CCO1 ZINC000564333944 291275494 /nfs/dbraw/zinc/27/54/94/291275494.db2.gz KABJECZMQUBJMB-IYXRBSQSSA-N 2 2 299.415 0.110 20 0 CCADLP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000598990717 361546897 /nfs/dbraw/zinc/54/68/97/361546897.db2.gz RQWWWZYGORGDPD-XQHKEYJVSA-N 2 2 297.399 0.113 20 0 CCADLP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000598990717 361546902 /nfs/dbraw/zinc/54/69/02/361546902.db2.gz RQWWWZYGORGDPD-XQHKEYJVSA-N 2 2 297.399 0.113 20 0 CCADLP CNC(=O)CCC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000564465918 291281734 /nfs/dbraw/zinc/28/17/34/291281734.db2.gz VMAPXEXMMCNOPI-LLVKDONJSA-N 2 2 250.346 0.736 20 0 CCADLP CNC(=O)CCC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000564465918 291281736 /nfs/dbraw/zinc/28/17/36/291281736.db2.gz VMAPXEXMMCNOPI-LLVKDONJSA-N 2 2 250.346 0.736 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000599305154 361642991 /nfs/dbraw/zinc/64/29/91/361642991.db2.gz URGIMISTUCWWEH-GJZGRUSLSA-N 2 2 298.427 0.964 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000599305154 361642995 /nfs/dbraw/zinc/64/29/95/361642995.db2.gz URGIMISTUCWWEH-GJZGRUSLSA-N 2 2 298.427 0.964 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000599305154 361643002 /nfs/dbraw/zinc/64/30/02/361643002.db2.gz URGIMISTUCWWEH-GJZGRUSLSA-N 2 2 298.427 0.964 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000599305154 361643008 /nfs/dbraw/zinc/64/30/08/361643008.db2.gz URGIMISTUCWWEH-GJZGRUSLSA-N 2 2 298.427 0.964 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000599311599 361647953 /nfs/dbraw/zinc/64/79/53/361647953.db2.gz XKYZJQJXXXGPGT-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000599311599 361647957 /nfs/dbraw/zinc/64/79/57/361647957.db2.gz XKYZJQJXXXGPGT-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000515068856 296047311 /nfs/dbraw/zinc/04/73/11/296047311.db2.gz CWYARSYSPLFBDA-OLZOCXBDSA-N 2 2 283.416 0.554 20 0 CCADLP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000564659081 291292052 /nfs/dbraw/zinc/29/20/52/291292052.db2.gz OWLZFMDJJFPHKS-CHWSQXEVSA-N 2 2 285.432 0.848 20 0 CCADLP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000564659081 291292054 /nfs/dbraw/zinc/29/20/54/291292054.db2.gz OWLZFMDJJFPHKS-CHWSQXEVSA-N 2 2 285.432 0.848 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612958000 364054734 /nfs/dbraw/zinc/05/47/34/364054734.db2.gz GFPRUBOCLKDBBT-GFCCVEGCSA-N 2 2 277.372 0.715 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612958009 364055212 /nfs/dbraw/zinc/05/52/12/364055212.db2.gz GFPRUBOCLKDBBT-LBPRGKRZSA-N 2 2 277.372 0.715 20 0 CCADLP CNS(=O)(=O)CCC[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631834443 370700385 /nfs/dbraw/zinc/70/03/85/370700385.db2.gz XIPVZKAYXGKYNS-LLVKDONJSA-N 2 2 263.407 0.129 20 0 CCADLP CNS(=O)(=O)CCC[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631834443 370700388 /nfs/dbraw/zinc/70/03/88/370700388.db2.gz XIPVZKAYXGKYNS-LLVKDONJSA-N 2 2 263.407 0.129 20 0 CCADLP CN(CC1CC1)C(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631888152 370738521 /nfs/dbraw/zinc/73/85/21/370738521.db2.gz UGVJRPCNORRSIH-ZIAGYGMSSA-N 2 2 265.401 0.929 20 0 CCADLP CN(CC1CC1)C(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631888152 370738524 /nfs/dbraw/zinc/73/85/24/370738524.db2.gz UGVJRPCNORRSIH-ZIAGYGMSSA-N 2 2 265.401 0.929 20 0 CCADLP C[N@H+]1CC=C(CNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000613264971 364190422 /nfs/dbraw/zinc/19/04/22/364190422.db2.gz IFTCNZMLRHCHLB-GFCCVEGCSA-N 2 2 274.368 0.893 20 0 CCADLP C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000613264971 364190428 /nfs/dbraw/zinc/19/04/28/364190428.db2.gz IFTCNZMLRHCHLB-GFCCVEGCSA-N 2 2 274.368 0.893 20 0 CCADLP C[N@H+]1CC=C(CNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000613264971 364190431 /nfs/dbraw/zinc/19/04/31/364190431.db2.gz IFTCNZMLRHCHLB-GFCCVEGCSA-N 2 2 274.368 0.893 20 0 CCADLP C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000613264971 364190435 /nfs/dbraw/zinc/19/04/35/364190435.db2.gz IFTCNZMLRHCHLB-GFCCVEGCSA-N 2 2 274.368 0.893 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C[N@@H+]1C1CC1 ZINC000564850669 291307349 /nfs/dbraw/zinc/30/73/49/291307349.db2.gz XQQYZQZBIHOPOH-YRGRVCCFSA-N 2 2 264.373 0.459 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C[N@H+]1C1CC1 ZINC000564850669 291307351 /nfs/dbraw/zinc/30/73/51/291307351.db2.gz XQQYZQZBIHOPOH-YRGRVCCFSA-N 2 2 264.373 0.459 20 0 CCADLP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000564896282 291311783 /nfs/dbraw/zinc/31/17/83/291311783.db2.gz HQKRMHXPWKUBRP-CQSZACIVSA-N 2 2 298.431 0.348 20 0 CCADLP CC(C)NC(=O)NCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000564896282 291311784 /nfs/dbraw/zinc/31/17/84/291311784.db2.gz HQKRMHXPWKUBRP-CQSZACIVSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH+]1CC2(C1)CCN(C(=O)c1ccc(-n3cc[nH+]c3)nn1)C2 ZINC000614039297 364471174 /nfs/dbraw/zinc/47/11/74/364471174.db2.gz TUGZFZHUKLNNRX-UHFFFAOYSA-N 2 2 298.350 0.440 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](CO)C[NH+](C)C)ccn12 ZINC000614857015 364757239 /nfs/dbraw/zinc/75/72/39/364757239.db2.gz FBFYFYBLXZANTP-GFCCVEGCSA-N 2 2 276.340 0.295 20 0 CCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@@H]1CSC[NH2+]1 ZINC000335610753 212322342 /nfs/dbraw/zinc/32/23/42/212322342.db2.gz YWSRRRYQLRCCQB-NSHDSACASA-N 2 2 280.397 0.840 20 0 CCADLP C[C@@H](CC(=O)N1CC(C[NH+]2CCOCC2)C1)n1cc[nH+]c1 ZINC000615148777 364863491 /nfs/dbraw/zinc/86/34/91/364863491.db2.gz RGKXHRXSDBZBBJ-ZDUSSCGKSA-N 2 2 292.383 0.625 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000615380046 364932750 /nfs/dbraw/zinc/93/27/50/364932750.db2.gz JFQFPONJDXKJLR-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000615380046 364932758 /nfs/dbraw/zinc/93/27/58/364932758.db2.gz JFQFPONJDXKJLR-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@@H]21 ZINC000615850808 365110609 /nfs/dbraw/zinc/11/06/09/365110609.db2.gz SVHNDMNUAIVYRK-AGIUHOORSA-N 2 2 274.368 0.608 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@@H]21 ZINC000615850808 365110616 /nfs/dbraw/zinc/11/06/16/365110616.db2.gz SVHNDMNUAIVYRK-AGIUHOORSA-N 2 2 274.368 0.608 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccncn1 ZINC000275392290 193019676 /nfs/dbraw/zinc/01/96/76/193019676.db2.gz XNOLQUDZROMVCT-UHFFFAOYSA-N 2 2 291.399 0.575 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccncn1 ZINC000275392290 193019679 /nfs/dbraw/zinc/01/96/79/193019679.db2.gz XNOLQUDZROMVCT-UHFFFAOYSA-N 2 2 291.399 0.575 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(OCCCOC)CC1 ZINC000565157176 291348718 /nfs/dbraw/zinc/34/87/18/291348718.db2.gz OBHQIVKSOKMDHL-CQSZACIVSA-N 2 2 288.432 0.817 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(OCCCOC)CC1 ZINC000565157176 291348720 /nfs/dbraw/zinc/34/87/20/291348720.db2.gz OBHQIVKSOKMDHL-CQSZACIVSA-N 2 2 288.432 0.817 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621784379 366867854 /nfs/dbraw/zinc/86/78/54/366867854.db2.gz OCECBCCWRUMAGV-MGPQQGTHSA-N 2 2 253.390 0.520 20 0 CCADLP C[C@@H](CNC(=O)[C@@H](c1c[nH+]cn1C)N(C)C)[NH+](C)C ZINC000616489362 365340773 /nfs/dbraw/zinc/34/07/73/365340773.db2.gz YXVHYMJYXHNSMM-CMPLNLGQSA-N 2 2 267.377 0.089 20 0 CCADLP Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(C)(C)CO ZINC000616863321 365462523 /nfs/dbraw/zinc/46/25/23/365462523.db2.gz MBYAHUKBBWCLDT-NEPJUHHUSA-N 2 2 294.399 0.548 20 0 CCADLP Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)(C)CO ZINC000616863321 365462529 /nfs/dbraw/zinc/46/25/29/365462529.db2.gz MBYAHUKBBWCLDT-NEPJUHHUSA-N 2 2 294.399 0.548 20 0 CCADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000616697195 365431073 /nfs/dbraw/zinc/43/10/73/365431073.db2.gz TWSPGKPSHDJOCO-SDDRHHMPSA-N 2 2 276.384 0.971 20 0 CCADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000616697195 365431076 /nfs/dbraw/zinc/43/10/76/365431076.db2.gz TWSPGKPSHDJOCO-SDDRHHMPSA-N 2 2 276.384 0.971 20 0 CCADLP COCC[N@@H+]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000621880571 366908640 /nfs/dbraw/zinc/90/86/40/366908640.db2.gz KNWVSEGCSFSIJV-UHFFFAOYSA-N 2 2 294.399 0.868 20 0 CCADLP COCC[N@H+]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000621880571 366908647 /nfs/dbraw/zinc/90/86/47/366908647.db2.gz KNWVSEGCSFSIJV-UHFFFAOYSA-N 2 2 294.399 0.868 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]21 ZINC000622089243 367017992 /nfs/dbraw/zinc/01/79/92/367017992.db2.gz NEMVZNSSJZTPSJ-MNOVXSKESA-N 2 2 262.357 0.850 20 0 CCADLP C[NH+]1CCC(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000335547917 212251773 /nfs/dbraw/zinc/25/17/73/212251773.db2.gz LATRPTQURGNSJB-ZDUSSCGKSA-N 2 2 276.384 0.904 20 0 CCADLP C[C@@H](C[NH3+])CNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000566206613 291375879 /nfs/dbraw/zinc/37/58/79/291375879.db2.gz UTEKOSKDISJSGE-VIFPVBQESA-N 2 2 263.332 0.675 20 0 CCADLP CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C1(C[NH3+])CCC1 ZINC000623178947 367467587 /nfs/dbraw/zinc/46/75/87/367467587.db2.gz OQGGUSUKLLXEMN-LLVKDONJSA-N 2 2 262.357 0.785 20 0 CCADLP O=C(NC[C@H]1CCCC[NH2+]1)[C@H]1CCn2cc[nH+]c2C1 ZINC000623175643 367463329 /nfs/dbraw/zinc/46/33/29/367463329.db2.gz FJVZGMFUVFAODF-NWDGAFQWSA-N 2 2 262.357 0.704 20 0 CCADLP CC(C)C[C@@H](C[NH3+])NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623176338 367464324 /nfs/dbraw/zinc/46/43/24/367464324.db2.gz VRSZNUOHPMUBGW-RYUDHWBXSA-N 2 2 264.373 0.935 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623306017 367526745 /nfs/dbraw/zinc/52/67/45/367526745.db2.gz FJYZTBHUIHWBGS-QWHCGFSZSA-N 2 2 292.383 0.282 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623306015 367527274 /nfs/dbraw/zinc/52/72/74/367527274.db2.gz FJYZTBHUIHWBGS-CHWSQXEVSA-N 2 2 292.383 0.282 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1COCC[NH+]1C ZINC000623394727 367554655 /nfs/dbraw/zinc/55/46/55/367554655.db2.gz PPLHQVYOCQERHG-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1COCC[NH+]1C ZINC000623394727 367554659 /nfs/dbraw/zinc/55/46/59/367554659.db2.gz PPLHQVYOCQERHG-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP CC[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623394727 367554666 /nfs/dbraw/zinc/55/46/66/367554666.db2.gz PPLHQVYOCQERHG-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP CC[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623394727 367554674 /nfs/dbraw/zinc/55/46/74/367554674.db2.gz PPLHQVYOCQERHG-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623401870 367555331 /nfs/dbraw/zinc/55/53/31/367555331.db2.gz SAEAXXPJPUNQCY-CQSZACIVSA-N 3 2 296.459 0.613 20 0 CCADLP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623401870 367555332 /nfs/dbraw/zinc/55/53/32/367555332.db2.gz SAEAXXPJPUNQCY-CQSZACIVSA-N 3 2 296.459 0.613 20 0 CCADLP C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000623461224 367566961 /nfs/dbraw/zinc/56/69/61/367566961.db2.gz CXCYRULFKXNFFD-KGLIPLIRSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000623461224 367566966 /nfs/dbraw/zinc/56/69/66/367566966.db2.gz CXCYRULFKXNFFD-KGLIPLIRSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@@H]1CCC[NH+](CCNC(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000623461224 367566972 /nfs/dbraw/zinc/56/69/72/367566972.db2.gz CXCYRULFKXNFFD-KGLIPLIRSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@@H]1CCC[NH+](CCNC(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000623461224 367566977 /nfs/dbraw/zinc/56/69/77/367566977.db2.gz CXCYRULFKXNFFD-KGLIPLIRSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)S(C)(=O)=O ZINC000623472327 367568569 /nfs/dbraw/zinc/56/85/69/367568569.db2.gz MFLOWFSTFICARR-MNOVXSKESA-N 2 2 262.419 0.882 20 0 CCADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)S(C)(=O)=O ZINC000623472327 367568573 /nfs/dbraw/zinc/56/85/73/367568573.db2.gz MFLOWFSTFICARR-MNOVXSKESA-N 2 2 262.419 0.882 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CCSCC1 ZINC000623617990 367603703 /nfs/dbraw/zinc/60/37/03/367603703.db2.gz ZJJISCTWBCZLLQ-LBPRGKRZSA-N 2 2 271.430 0.811 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C1CCSCC1 ZINC000623617990 367603708 /nfs/dbraw/zinc/60/37/08/367603708.db2.gz ZJJISCTWBCZLLQ-LBPRGKRZSA-N 2 2 271.430 0.811 20 0 CCADLP CO[C@H]1CCC[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000623619431 367606157 /nfs/dbraw/zinc/60/61/57/367606157.db2.gz FRRVNBINEIOICR-IHRRRGAJSA-N 2 2 283.416 0.873 20 0 CCADLP CO[C@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000623619431 367606159 /nfs/dbraw/zinc/60/61/59/367606159.db2.gz FRRVNBINEIOICR-IHRRRGAJSA-N 2 2 283.416 0.873 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)[C@@H]1C[C@H]1C ZINC000623619465 367606434 /nfs/dbraw/zinc/60/64/34/367606434.db2.gz HECFAMVKNUZOEG-LPWJVIDDSA-N 2 2 253.390 0.960 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)[C@@H]1C[C@H]1C ZINC000623619465 367606440 /nfs/dbraw/zinc/60/64/40/367606440.db2.gz HECFAMVKNUZOEG-LPWJVIDDSA-N 2 2 253.390 0.960 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000623565308 367591975 /nfs/dbraw/zinc/59/19/75/367591975.db2.gz ISFFWEUUECJJBE-IHRRRGAJSA-N 2 2 296.415 0.243 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000623565308 367591982 /nfs/dbraw/zinc/59/19/82/367591982.db2.gz ISFFWEUUECJJBE-IHRRRGAJSA-N 2 2 296.415 0.243 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000623565308 367591988 /nfs/dbraw/zinc/59/19/88/367591988.db2.gz ISFFWEUUECJJBE-IHRRRGAJSA-N 2 2 296.415 0.243 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000623565308 367591995 /nfs/dbraw/zinc/59/19/95/367591995.db2.gz ISFFWEUUECJJBE-IHRRRGAJSA-N 2 2 296.415 0.243 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2CCCC[NH+](C)C2)C1 ZINC000623570910 367594162 /nfs/dbraw/zinc/59/41/62/367594162.db2.gz IDEXJMUZYMLATB-KBPBESRZSA-N 2 2 298.431 0.348 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2CCCC[NH+](C)C2)C1 ZINC000623570910 367594168 /nfs/dbraw/zinc/59/41/68/367594168.db2.gz IDEXJMUZYMLATB-KBPBESRZSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH+]1CCO[C@@H](CNC(=O)NC[C@@H]2CCCC[N@H+](C)C2)C1 ZINC000623570910 367594172 /nfs/dbraw/zinc/59/41/72/367594172.db2.gz IDEXJMUZYMLATB-KBPBESRZSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH+]1CCO[C@@H](CNC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)C1 ZINC000623570910 367594178 /nfs/dbraw/zinc/59/41/78/367594178.db2.gz IDEXJMUZYMLATB-KBPBESRZSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH+]1CCC(CCNC(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000623720599 367634429 /nfs/dbraw/zinc/63/44/29/367634429.db2.gz PWZDVMBLRVWHEI-AWEZNQCLSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH+]1CCC(CCNC(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000623720599 367634432 /nfs/dbraw/zinc/63/44/32/367634432.db2.gz PWZDVMBLRVWHEI-AWEZNQCLSA-N 2 2 298.431 0.348 20 0 CCADLP CC(=O)Nc1ccc(C[NH2+]CC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000623836015 367672791 /nfs/dbraw/zinc/67/27/91/367672791.db2.gz HQZILGJIVWMHSF-HNNXBMFYSA-N 2 2 277.368 0.801 20 0 CCADLP CC(=O)Nc1ccc(C[NH2+]CC[N@H+]2CC[C@H](O)C2)cc1 ZINC000623836015 367672801 /nfs/dbraw/zinc/67/28/01/367672801.db2.gz HQZILGJIVWMHSF-HNNXBMFYSA-N 2 2 277.368 0.801 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccncn1 ZINC000624086319 367749712 /nfs/dbraw/zinc/74/97/12/367749712.db2.gz ATOJPMRBOHIYCP-YPMHNXCESA-N 2 2 277.372 0.467 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccncn1 ZINC000624086319 367749716 /nfs/dbraw/zinc/74/97/16/367749716.db2.gz ATOJPMRBOHIYCP-YPMHNXCESA-N 2 2 277.372 0.467 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000624086776 367749766 /nfs/dbraw/zinc/74/97/66/367749766.db2.gz VXQBXLZAWPKSJS-HNNXBMFYSA-N 3 2 294.443 0.543 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000624086776 367749768 /nfs/dbraw/zinc/74/97/68/367749768.db2.gz VXQBXLZAWPKSJS-HNNXBMFYSA-N 3 2 294.443 0.543 20 0 CCADLP C[NH+](C)C[C@@H](CO)Nc1nc2ccccc2n2c[nH+]cc12 ZINC000624221268 367793292 /nfs/dbraw/zinc/79/32/92/367793292.db2.gz UIZSOLQKCKDNHT-NSHDSACASA-N 2 2 285.351 0.639 20 0 CCADLP O[C@H]1CCN(CC[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000624338870 367840029 /nfs/dbraw/zinc/84/00/29/367840029.db2.gz GBZAIGWICIKJMR-AWEZNQCLSA-N 2 2 253.390 0.269 20 0 CCADLP CCCCNc1cc(NCC[N@@H+]2CC[C@H](O)C2)nc(N)[nH+]1 ZINC000624776457 367991019 /nfs/dbraw/zinc/99/10/19/367991019.db2.gz LOKZAVIEJYBWQM-NSHDSACASA-N 2 2 294.403 0.002 20 0 CCADLP CCCCNc1cc(NCC[N@H+]2CC[C@H](O)C2)nc(N)[nH+]1 ZINC000624776457 367991022 /nfs/dbraw/zinc/99/10/22/367991022.db2.gz LOKZAVIEJYBWQM-NSHDSACASA-N 2 2 294.403 0.002 20 0 CCADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cnns1 ZINC000625275056 368128163 /nfs/dbraw/zinc/12/81/63/368128163.db2.gz LRSNEOYREJONJF-UHFFFAOYSA-N 2 2 269.418 0.607 20 0 CCADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cnns1 ZINC000625275056 368128167 /nfs/dbraw/zinc/12/81/67/368128167.db2.gz LRSNEOYREJONJF-UHFFFAOYSA-N 2 2 269.418 0.607 20 0 CCADLP C(C[NH+]1CCC([NH+]2CCOCC2)CC1)OC1CCOCC1 ZINC000625544276 368238313 /nfs/dbraw/zinc/23/83/13/368238313.db2.gz LOJJINPQGCSZMO-UHFFFAOYSA-N 2 2 298.427 0.979 20 0 CCADLP CC(C)NC(=O)CC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625554805 368245068 /nfs/dbraw/zinc/24/50/68/368245068.db2.gz YTTBNVBLPQTTNZ-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2Cc3ccc(O)cc3C2)CC1 ZINC000625726802 368306858 /nfs/dbraw/zinc/30/68/58/368306858.db2.gz DMRIXUIDXQNHCZ-UHFFFAOYSA-N 2 2 289.379 0.872 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@H+]2Cc3ccc(O)cc3C2)CC1 ZINC000625726802 368306860 /nfs/dbraw/zinc/30/68/60/368306860.db2.gz DMRIXUIDXQNHCZ-UHFFFAOYSA-N 2 2 289.379 0.872 20 0 CCADLP C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422919738 296117761 /nfs/dbraw/zinc/11/77/61/296117761.db2.gz KJAPZLQSECCLSU-NEPJUHHUSA-N 2 2 274.430 0.931 20 0 CCADLP FCCC[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC000626072034 368421690 /nfs/dbraw/zinc/42/16/90/368421690.db2.gz FEVXCMCUUFFEBR-UHFFFAOYSA-N 2 2 259.369 0.296 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)NCC[N@@H+]2CCOC[C@H]2C)C[NH2+]1 ZINC000626969823 368702664 /nfs/dbraw/zinc/70/26/64/368702664.db2.gz HATLCQQNQFSLNZ-UPJWGTAASA-N 2 2 284.404 0.147 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)NCC[N@H+]2CCOC[C@H]2C)C[NH2+]1 ZINC000626969823 368702668 /nfs/dbraw/zinc/70/26/68/368702668.db2.gz HATLCQQNQFSLNZ-UPJWGTAASA-N 2 2 284.404 0.147 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000626970578 368703842 /nfs/dbraw/zinc/70/38/42/368703842.db2.gz PTOWTJDPYDUJQS-YIYPIFLZSA-N 2 2 298.431 0.535 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)NCCn2cc[nH+]c2)C[NH2+]1 ZINC000626922558 368680223 /nfs/dbraw/zinc/68/02/23/368680223.db2.gz ADLBRLVAZFHERC-GHMZBOCLSA-N 2 2 251.334 0.323 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)N[C@H]2CCn3cc[nH+]c3C2)C[NH2+]1 ZINC000627017060 368739098 /nfs/dbraw/zinc/73/90/98/368739098.db2.gz ZBAUWYQYDKRRQY-GRYCIOLGSA-N 2 2 277.372 0.638 20 0 CCADLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(=O)[nH]n1 ZINC000330611429 203035421 /nfs/dbraw/zinc/03/54/21/203035421.db2.gz OXMFLWCBGSXUDB-OLZOCXBDSA-N 2 2 294.399 0.926 20 0 CCADLP CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000330617402 203044926 /nfs/dbraw/zinc/04/49/26/203044926.db2.gz XBEHZAUAWCHPBC-NEPJUHHUSA-N 2 2 286.401 0.333 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000627074483 368771363 /nfs/dbraw/zinc/77/13/63/368771363.db2.gz JOTVCXQHZPLIAR-KBPBESRZSA-N 2 2 298.431 0.524 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000627074483 368771369 /nfs/dbraw/zinc/77/13/69/368771369.db2.gz JOTVCXQHZPLIAR-KBPBESRZSA-N 2 2 298.431 0.524 20 0 CCADLP C[NH2+]CCOCCN(C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000627116946 368808966 /nfs/dbraw/zinc/80/89/66/368808966.db2.gz BRQHUQAKKJQYCB-LLVKDONJSA-N 2 2 283.376 0.359 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)Cc1[nH+]ccn1C ZINC000627165102 368839662 /nfs/dbraw/zinc/83/96/62/368839662.db2.gz XZJSNCBEIXJVBU-WDEREUQCSA-N 2 2 265.361 0.702 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)CC2 ZINC000627204274 368873225 /nfs/dbraw/zinc/87/32/25/368873225.db2.gz COULXMZLTPJQLI-ZYHUDNBSSA-N 2 2 277.372 0.857 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627243967 368908437 /nfs/dbraw/zinc/90/84/37/368908437.db2.gz AXSGHGSXZGGADR-FRRDWIJNSA-N 2 2 284.404 0.099 20 0 CCADLP CC[NH2+]CC1CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000627182617 368851612 /nfs/dbraw/zinc/85/16/12/368851612.db2.gz BDTLJALYFOBUGS-AWEZNQCLSA-N 2 2 298.431 0.348 20 0 CCADLP CC[NH2+]CC1CCN(C(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000627182617 368851619 /nfs/dbraw/zinc/85/16/19/368851619.db2.gz BDTLJALYFOBUGS-AWEZNQCLSA-N 2 2 298.431 0.348 20 0 CCADLP CC(C)(C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1)c1c[nH+]c[nH]1 ZINC000627265818 368933451 /nfs/dbraw/zinc/93/34/51/368933451.db2.gz OJLCSUAUAVHUSR-VXGBXAGGSA-N 2 2 292.383 0.355 20 0 CCADLP CC(C)(C(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1)c1c[nH+]c[nH]1 ZINC000627265818 368933453 /nfs/dbraw/zinc/93/34/53/368933453.db2.gz OJLCSUAUAVHUSR-VXGBXAGGSA-N 2 2 292.383 0.355 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@H]3CCc4[nH+]c[nH]c4C3)C[C@H]21 ZINC000627655808 369069368 /nfs/dbraw/zinc/06/93/68/369069368.db2.gz IWUWFWOSVXLNAK-KZWBYHQPSA-N 2 2 274.368 0.533 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@H]3CCc4[nH]c[nH+]c4C3)C[C@H]21 ZINC000627655808 369069372 /nfs/dbraw/zinc/06/93/72/369069372.db2.gz IWUWFWOSVXLNAK-KZWBYHQPSA-N 2 2 274.368 0.533 20 0 CCADLP CC1(C)C[NH+](CC(=O)N2CCC([NH+]3CCOCC3)CC2)C1 ZINC000628122020 369185382 /nfs/dbraw/zinc/18/53/82/369185382.db2.gz GKVVDEKLUDACLD-UHFFFAOYSA-N 2 2 295.427 0.651 20 0 CCADLP Cc1[nH]c(CN2CC[N@@H+](CCO)C[C@H]2C)[nH+]c1C ZINC000628304130 369235293 /nfs/dbraw/zinc/23/52/93/369235293.db2.gz GXPLEKGLLMWKEG-SNVBAGLBSA-N 2 2 252.362 0.525 20 0 CCADLP Cc1[nH]c(CN2CC[N@H+](CCO)C[C@H]2C)[nH+]c1C ZINC000628304130 369235300 /nfs/dbraw/zinc/23/53/00/369235300.db2.gz GXPLEKGLLMWKEG-SNVBAGLBSA-N 2 2 252.362 0.525 20 0 CCADLP Cc1c[nH]c(CN2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)[nH+]1 ZINC000628255320 369225141 /nfs/dbraw/zinc/22/51/41/369225141.db2.gz JFCRDPCXGBQEAZ-RYUDHWBXSA-N 2 2 252.362 0.605 20 0 CCADLP Cc1c[nH]c(CN2CC[N@H+](C[C@H](C)O)C[C@@H]2C)[nH+]1 ZINC000628255320 369225144 /nfs/dbraw/zinc/22/51/44/369225144.db2.gz JFCRDPCXGBQEAZ-RYUDHWBXSA-N 2 2 252.362 0.605 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000279555083 291464804 /nfs/dbraw/zinc/46/48/04/291464804.db2.gz XZFACXVAVBOYGV-ZDUSSCGKSA-N 2 2 292.383 0.584 20 0 CCADLP CO[C@H]1C[NH2+][C@@H](C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000567261659 291470170 /nfs/dbraw/zinc/47/01/70/291470170.db2.gz CJSACDQBZFNWMB-CHWSQXEVSA-N 2 2 292.383 0.555 20 0 CCADLP CC[N@@H+]1CCN(S(=O)(=O)CC2([NH+](C)C)CC2)[C@H](C)C1 ZINC000632330468 370988887 /nfs/dbraw/zinc/98/88/87/370988887.db2.gz POWPPYHWGVOZIJ-GFCCVEGCSA-N 2 2 289.445 0.436 20 0 CCADLP CC[N@H+]1CCN(S(=O)(=O)CC2([NH+](C)C)CC2)[C@H](C)C1 ZINC000632330468 370988890 /nfs/dbraw/zinc/98/88/90/370988890.db2.gz POWPPYHWGVOZIJ-GFCCVEGCSA-N 2 2 289.445 0.436 20 0 CCADLP C[NH2+]CCOCC[N@H+](C)[C@H](C)c1nnnn1C1CC1 ZINC000629571711 369715550 /nfs/dbraw/zinc/71/55/50/369715550.db2.gz HUOXRBUAOZNSTE-SNVBAGLBSA-N 2 2 268.365 0.237 20 0 CCADLP C[NH2+]CCOCC[N@@H+](C)[C@H](C)c1nnnn1C1CC1 ZINC000629571711 369715554 /nfs/dbraw/zinc/71/55/54/369715554.db2.gz HUOXRBUAOZNSTE-SNVBAGLBSA-N 2 2 268.365 0.237 20 0 CCADLP Cc1ccc(NC(=O)C[N@H+](C)CCOCC[NH3+])c(F)c1 ZINC000629573467 369717927 /nfs/dbraw/zinc/71/79/27/369717927.db2.gz CLEVBBAGIQLQPP-UHFFFAOYSA-N 2 2 283.347 0.980 20 0 CCADLP Cc1ccc(NC(=O)C[N@@H+](C)CCOCC[NH3+])c(F)c1 ZINC000629573467 369717931 /nfs/dbraw/zinc/71/79/31/369717931.db2.gz CLEVBBAGIQLQPP-UHFFFAOYSA-N 2 2 283.347 0.980 20 0 CCADLP C[C@@H]1C[N@H+](CCC[NH2+]C[C@@H](O)C[NH+]2CCCC2)CCCO1 ZINC000629576098 369719104 /nfs/dbraw/zinc/71/91/04/369719104.db2.gz RNQPLWITQKZHKG-HZPDHXFCSA-N 3 2 299.459 0.534 20 0 CCADLP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)C[NH+]2CCCC2)CCCO1 ZINC000629576098 369719106 /nfs/dbraw/zinc/71/91/06/369719106.db2.gz RNQPLWITQKZHKG-HZPDHXFCSA-N 3 2 299.459 0.534 20 0 CCADLP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000629512745 369687832 /nfs/dbraw/zinc/68/78/32/369687832.db2.gz DYBGKBARWPCKLK-WOPDTQHZSA-N 3 2 256.394 0.042 20 0 CCADLP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000629512745 369687838 /nfs/dbraw/zinc/68/78/38/369687838.db2.gz DYBGKBARWPCKLK-WOPDTQHZSA-N 3 2 256.394 0.042 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000629516434 369689148 /nfs/dbraw/zinc/68/91/48/369689148.db2.gz FSXQXCGVTLDMNN-WDEREUQCSA-N 2 2 260.403 0.684 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc[nH]c1=O ZINC000629544217 369697346 /nfs/dbraw/zinc/69/73/46/369697346.db2.gz IEHWTWGLCAUWTK-CMPLNLGQSA-N 2 2 251.330 0.644 20 0 CCADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000629548251 369700831 /nfs/dbraw/zinc/70/08/31/369700831.db2.gz MZGQYEAJICILCD-OUJBWJOFSA-N 2 2 283.397 0.735 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000629547900 369701372 /nfs/dbraw/zinc/70/13/72/369701372.db2.gz LUDAMJFNGKIUHE-USZNOCQGSA-N 2 2 260.403 0.682 20 0 CCADLP C1CC1[C@@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)[C@@H]1C[NH2+]CCO1 ZINC000629549977 369702522 /nfs/dbraw/zinc/70/25/22/369702522.db2.gz UMXUIEQJLCXHSM-LJISPDSOSA-N 2 2 266.385 0.911 20 0 CCADLP CN(CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)CC(F)F ZINC000629556637 369706944 /nfs/dbraw/zinc/70/69/44/369706944.db2.gz VWBHELKLVLIPRF-AAEUAGOBSA-N 2 2 277.359 0.540 20 0 CCADLP COc1cccc(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000629654462 369748871 /nfs/dbraw/zinc/74/88/71/369748871.db2.gz XPEZTHWCYBNUSX-UHFFFAOYSA-N 2 2 274.324 0.939 20 0 CCADLP COCc1cnc(C[N@H+](C)CCOCC[NH3+])s1 ZINC000629661076 369750884 /nfs/dbraw/zinc/75/08/84/369750884.db2.gz BCSICHOUGVFICO-UHFFFAOYSA-N 2 2 259.375 0.697 20 0 CCADLP COCc1cnc(C[N@@H+](C)CCOCC[NH3+])s1 ZINC000629661076 369750886 /nfs/dbraw/zinc/75/08/86/369750886.db2.gz BCSICHOUGVFICO-UHFFFAOYSA-N 2 2 259.375 0.697 20 0 CCADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@H](O)C(F)(F)F ZINC000629583273 369726957 /nfs/dbraw/zinc/72/69/57/369726957.db2.gz XNTQUFYFXRUGHU-GUBZILKMSA-N 2 2 270.295 0.344 20 0 CCADLP C[C@H](C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)CS(C)(=O)=O ZINC000629585362 369729237 /nfs/dbraw/zinc/72/92/37/369729237.db2.gz SVSOGSBODSCVFS-UPJWGTAASA-N 2 2 274.430 0.599 20 0 CCADLP C[C@H](C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)CS(C)(=O)=O ZINC000629585362 369729244 /nfs/dbraw/zinc/72/92/44/369729244.db2.gz SVSOGSBODSCVFS-UPJWGTAASA-N 2 2 274.430 0.599 20 0 CCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CC(=O)NC1CCOCC1)C2 ZINC000629585344 369730047 /nfs/dbraw/zinc/73/00/47/369730047.db2.gz SBMGRKLPDCVCMS-GASCZTMLSA-N 2 2 281.400 0.213 20 0 CCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CC(=O)NC1CCOCC1)C2 ZINC000629585344 369730050 /nfs/dbraw/zinc/73/00/50/369730050.db2.gz SBMGRKLPDCVCMS-GASCZTMLSA-N 2 2 281.400 0.213 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000630023834 369901647 /nfs/dbraw/zinc/90/16/47/369901647.db2.gz RQNXWCYTRZGKGL-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000630023834 369901649 /nfs/dbraw/zinc/90/16/49/369901649.db2.gz RQNXWCYTRZGKGL-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+]1CCCC[C@@H]1CCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000630023834 369901653 /nfs/dbraw/zinc/90/16/53/369901653.db2.gz RQNXWCYTRZGKGL-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+]1CCCC[C@@H]1CCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000630023834 369901656 /nfs/dbraw/zinc/90/16/56/369901656.db2.gz RQNXWCYTRZGKGL-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1COCC[NH2+]1 ZINC000370763873 284196012 /nfs/dbraw/zinc/19/60/12/284196012.db2.gz QONSWJWEDGLJTN-AAEUAGOBSA-N 2 2 267.373 0.108 20 0 CCADLP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1COCC[NH2+]1 ZINC000370763873 284196013 /nfs/dbraw/zinc/19/60/13/284196013.db2.gz QONSWJWEDGLJTN-AAEUAGOBSA-N 2 2 267.373 0.108 20 0 CCADLP COc1c(N)[nH+]cnc1N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000630385571 370088145 /nfs/dbraw/zinc/08/81/45/370088145.db2.gz MDDMDCKPJVKTRJ-NXEZZACHSA-N 2 2 263.345 0.646 20 0 CCADLP COc1c(N)nc[nH+]c1N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000630385571 370088150 /nfs/dbraw/zinc/08/81/50/370088150.db2.gz MDDMDCKPJVKTRJ-NXEZZACHSA-N 2 2 263.345 0.646 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCCC[NH+]1CCCC1 ZINC000630396266 370093815 /nfs/dbraw/zinc/09/38/15/370093815.db2.gz LPXZIQOMBZWRIP-ZDUSSCGKSA-N 2 2 284.404 0.102 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCCC[NH+]1CCCC1 ZINC000630396266 370093819 /nfs/dbraw/zinc/09/38/19/370093819.db2.gz LPXZIQOMBZWRIP-ZDUSSCGKSA-N 2 2 284.404 0.102 20 0 CCADLP Nc1nc(-n2cccn2)cc(N2C[C@H]3CC[C@@H](C2)[NH2+]3)[nH+]1 ZINC000630556444 370168764 /nfs/dbraw/zinc/16/87/64/370168764.db2.gz XSYBQHVOKRJOIN-AOOOYVTPSA-N 2 2 271.328 0.015 20 0 CCADLP C[N@@H+]1CCN(c2ccc(C(=O)NC3CC3)cn2)[C@H](C[NH3+])C1 ZINC000630511140 370139104 /nfs/dbraw/zinc/13/91/04/370139104.db2.gz NPUIFCORFGRXSH-CYBMUJFWSA-N 2 2 289.383 0.053 20 0 CCADLP C[N@H+]1CCN(c2ccc(C(=O)NC3CC3)cn2)[C@H](C[NH3+])C1 ZINC000630511140 370139108 /nfs/dbraw/zinc/13/91/08/370139108.db2.gz NPUIFCORFGRXSH-CYBMUJFWSA-N 2 2 289.383 0.053 20 0 CCADLP C[C@@H](O)[C@@H]1CCN(c2cc(N[C@@H]3CC[NH2+]C3)nc[nH+]2)C1 ZINC000630547744 370162803 /nfs/dbraw/zinc/16/28/03/370162803.db2.gz VVDMVVYRRJSRRX-IJLUTSLNSA-N 2 2 277.372 0.458 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCCCn1cc[nH+]c1 ZINC000631000916 370356051 /nfs/dbraw/zinc/35/60/51/370356051.db2.gz JLFJPWXLWROMRO-GHMZBOCLSA-N 2 2 251.334 0.404 20 0 CCADLP CC1(C)C[NH2+]CC[C@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000631001014 370356302 /nfs/dbraw/zinc/35/63/02/370356302.db2.gz KYJADVWEDBTWRA-ZDUSSCGKSA-N 2 2 298.431 0.396 20 0 CCADLP c1c(C[NH2+]CCC[NH+]2CCC2)nnn1C[C@H]1CCOC1 ZINC000631105694 370385566 /nfs/dbraw/zinc/38/55/66/370385566.db2.gz WJVKKCZQDUHLQV-CYBMUJFWSA-N 2 2 279.388 0.500 20 0 CCADLP Cc1nc(N2CC[C@H](C3CC[NH+](C)CC3)C2)nc(N)[nH+]1 ZINC000631183776 370413708 /nfs/dbraw/zinc/41/37/08/370413708.db2.gz LBKZQJGEIMWODC-LBPRGKRZSA-N 2 2 276.388 0.761 20 0 CCADLP Cc1nc(N)nc(N2CC[C@H](C3CC[NH+](C)CC3)C2)[nH+]1 ZINC000631183776 370413711 /nfs/dbraw/zinc/41/37/11/370413711.db2.gz LBKZQJGEIMWODC-LBPRGKRZSA-N 2 2 276.388 0.761 20 0 CCADLP Cc1nc(N[C@H](C)C[NH+]2CCC(C)CC2)nc(N)[nH+]1 ZINC000631365361 370500191 /nfs/dbraw/zinc/50/01/91/370500191.db2.gz UXIGYUVYAGGFMO-SNVBAGLBSA-N 2 2 264.377 0.547 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000331921464 204297441 /nfs/dbraw/zinc/29/74/41/204297441.db2.gz FLNSQEVZUKMHRP-IJLUTSLNSA-N 2 2 274.430 0.787 20 0 CCADLP C[C@@H]1CCN(C(=O)NC[C@@H]([NH3+])C2CC2)C[C@@H]1C[NH3+] ZINC000331933610 204308838 /nfs/dbraw/zinc/30/88/38/204308838.db2.gz WSRIKVKHIFSUOP-ADEWGFFLSA-N 2 2 254.378 0.350 20 0 CCADLP Cc1cn2cc(NC(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)ccc2[nH+]1 ZINC000633029128 371365776 /nfs/dbraw/zinc/36/57/76/371365776.db2.gz IUVPKJABZNGHGX-RYUDHWBXSA-N 2 2 299.334 0.154 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)c2cnn(CC[NH+](C)C)c2)c1 ZINC000633393245 371517311 /nfs/dbraw/zinc/51/73/11/371517311.db2.gz MMEVHGXYNWVUNV-UHFFFAOYSA-N 2 2 290.371 0.151 20 0 CCADLP CC[C@H](C)OCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000337342058 214018670 /nfs/dbraw/zinc/01/86/70/214018670.db2.gz VSHFYCCPOSKJMV-ZDUSSCGKSA-N 2 2 285.432 0.944 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000337357241 214027770 /nfs/dbraw/zinc/02/77/70/214027770.db2.gz CSDKDWDGTATPGZ-NWDGAFQWSA-N 2 2 252.362 0.307 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000337357241 214027773 /nfs/dbraw/zinc/02/77/73/214027773.db2.gz CSDKDWDGTATPGZ-NWDGAFQWSA-N 2 2 252.362 0.307 20 0 CCADLP C[N@H+](C[C@@H](O)CNCc1cn2c([nH+]1)CCCC2)C1CC1 ZINC000574392644 335015648 /nfs/dbraw/zinc/01/56/48/335015648.db2.gz DPLKCBSIECRXMG-AWEZNQCLSA-N 2 2 278.400 0.764 20 0 CCADLP C[N@@H+](C[C@@H](O)CNCc1cn2c([nH+]1)CCCC2)C1CC1 ZINC000574392644 335015649 /nfs/dbraw/zinc/01/56/49/335015649.db2.gz DPLKCBSIECRXMG-AWEZNQCLSA-N 2 2 278.400 0.764 20 0 CCADLP CC(C)C[C@H]([NH3+])c1noc([C@H](C)N2CC[NH2+]CC2=O)n1 ZINC000634555442 372079888 /nfs/dbraw/zinc/07/98/88/372079888.db2.gz KNEAYFBADKJQNI-UWVGGRQHSA-N 2 2 281.360 0.608 20 0 CCADLP C[C@@H]1CC[C@H](C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)O1 ZINC000634688473 372134204 /nfs/dbraw/zinc/13/42/04/372134204.db2.gz TZPFWKCRLQDBPI-RUZUBIRVSA-N 2 2 264.373 0.714 20 0 CCADLP C[C@@H]1CC[C@H](C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)O1 ZINC000634688473 372134210 /nfs/dbraw/zinc/13/42/10/372134210.db2.gz TZPFWKCRLQDBPI-RUZUBIRVSA-N 2 2 264.373 0.714 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)n1C ZINC000634704347 372149033 /nfs/dbraw/zinc/14/90/33/372149033.db2.gz JXAGSESETFKFKE-DZGCQCFKSA-N 2 2 296.415 0.488 20 0 CCADLP COCC1(C2CC2)C[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000634651912 372125111 /nfs/dbraw/zinc/12/51/11/372125111.db2.gz CCZANCNTWSCDSL-CQSZACIVSA-N 2 2 268.401 0.800 20 0 CCADLP COCC1(C2CC2)C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000634651912 372125114 /nfs/dbraw/zinc/12/51/14/372125114.db2.gz CCZANCNTWSCDSL-CQSZACIVSA-N 2 2 268.401 0.800 20 0 CCADLP [NH3+][C@H]1CCCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)C1 ZINC000634807654 372247184 /nfs/dbraw/zinc/24/71/84/372247184.db2.gz WGCYUYRMLKNJDJ-STQMWFEESA-N 2 2 291.399 0.613 20 0 CCADLP C[N@@H+]1CCc2ncnc(N3CC[C@H]4CC[NH2+][C@@H]4C3)c2C1 ZINC000634808057 372248180 /nfs/dbraw/zinc/24/81/80/372248180.db2.gz IPIYNLLKMPYRLC-BXUZGUMPSA-N 2 2 273.384 0.653 20 0 CCADLP C[N@H+]1CCc2ncnc(N3CC[C@H]4CC[NH2+][C@@H]4C3)c2C1 ZINC000634808057 372248187 /nfs/dbraw/zinc/24/81/87/372248187.db2.gz IPIYNLLKMPYRLC-BXUZGUMPSA-N 2 2 273.384 0.653 20 0 CCADLP C[NH2+]C1CCN(c2cc(NC[C@@H](C)O)[nH+]cn2)CC1 ZINC000634808252 372250388 /nfs/dbraw/zinc/25/03/88/372250388.db2.gz NGHYYICDAMFFKH-SNVBAGLBSA-N 2 2 265.361 0.458 20 0 CCADLP C[NH2+]C1CCN(c2cc(NC[C@@H](C)O)nc[nH+]2)CC1 ZINC000634808252 372250391 /nfs/dbraw/zinc/25/03/91/372250391.db2.gz NGHYYICDAMFFKH-SNVBAGLBSA-N 2 2 265.361 0.458 20 0 CCADLP C[C@@H](O)[C@@H]1CCN(c2cc(N[C@@H]3[C@H]4C[NH2+]C[C@H]43)[nH+]cn2)C1 ZINC000634809982 372253623 /nfs/dbraw/zinc/25/36/23/372253623.db2.gz IIYVINQLIPKFAF-CYRTVHNOSA-N 2 2 289.383 0.313 20 0 CCADLP C[C@@H](O)[C@@H]1CCN(c2cc(N[C@@H]3[C@H]4C[NH2+]C[C@H]43)nc[nH+]2)C1 ZINC000634809982 372253628 /nfs/dbraw/zinc/25/36/28/372253628.db2.gz IIYVINQLIPKFAF-CYRTVHNOSA-N 2 2 289.383 0.313 20 0 CCADLP C[C@@H](O)CNc1cc(N(C)[C@@H](C[NH3+])C2CC2)nc[nH+]1 ZINC000634811916 372256271 /nfs/dbraw/zinc/25/62/71/372256271.db2.gz UKTHFOIVXOOAGP-KOLCDFICSA-N 2 2 265.361 0.443 20 0 CCADLP CCO[C@H]1C[C@@H](O)C12CC[NH+](CC13CC(C1)C[NH2+]3)CC2 ZINC000634992800 372327431 /nfs/dbraw/zinc/32/74/31/372327431.db2.gz BFZYRNKWDUGURG-FUUBYGMNSA-N 2 2 280.412 0.990 20 0 CCADLP FC(F)(F)[C@H](C[NH2+]CC12CC(C1)C[NH2+]2)N1CC[NH2+]CC1 ZINC000634996118 372333116 /nfs/dbraw/zinc/33/31/16/372333116.db2.gz ZSOIIGVZLXJFIX-CXQJBGSLSA-N 3 2 292.349 0.164 20 0 CCADLP CN(C)c1ncc(C[NH+]2CCC([NH2+]CCO)CC2)s1 ZINC000635001735 372337550 /nfs/dbraw/zinc/33/75/50/372337550.db2.gz ZNYHEDULDVWTQJ-UHFFFAOYSA-N 2 2 284.429 0.755 20 0 CCADLP Cc1n[nH]c(C)c1C[NH+]1CCC([NH2+]CCO)CC1 ZINC000635001100 372338581 /nfs/dbraw/zinc/33/85/81/372338581.db2.gz GSHXFJNLBLTBSX-UHFFFAOYSA-N 2 2 252.362 0.573 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CCC[N@H+](C)CC2)[nH+]1 ZINC000635079354 372368023 /nfs/dbraw/zinc/36/80/23/372368023.db2.gz XEBZFJLFEXOFHL-UHFFFAOYSA-N 2 2 250.346 0.679 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CCC[N@@H+](C)CC2)[nH+]1 ZINC000635079354 372368028 /nfs/dbraw/zinc/36/80/28/372368028.db2.gz XEBZFJLFEXOFHL-UHFFFAOYSA-N 2 2 250.346 0.679 20 0 CCADLP C[C@H](C(=O)NCc1ccc[nH+]c1N1CCOCC1)[NH+](C)C ZINC000635223548 372419427 /nfs/dbraw/zinc/41/94/27/372419427.db2.gz XNNGYZBAWNEQSI-GFCCVEGCSA-N 2 2 292.383 0.485 20 0 CCADLP C[C@H](CNC(=O)COC1CCC([NH3+])CC1)Cn1cc[nH+]c1 ZINC000567972634 291541541 /nfs/dbraw/zinc/54/15/41/291541541.db2.gz CEBFURUBLMORBP-IYXRBSQSSA-N 2 2 294.399 0.922 20 0 CCADLP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635467599 372535865 /nfs/dbraw/zinc/53/58/65/372535865.db2.gz OMPXPSZAWBDOKX-VXGBXAGGSA-N 2 2 262.357 0.971 20 0 CCADLP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000635467599 372535875 /nfs/dbraw/zinc/53/58/75/372535875.db2.gz OMPXPSZAWBDOKX-VXGBXAGGSA-N 2 2 262.357 0.971 20 0 CCADLP CCc1c[nH]c(CC(=O)N=c2ccn(CC[NH+](C)C)[nH]2)[nH+]1 ZINC000635454807 372523655 /nfs/dbraw/zinc/52/36/55/372523655.db2.gz JZKIRLYXFRPRBK-UHFFFAOYSA-N 2 2 290.371 0.333 20 0 CCADLP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000635494399 372557793 /nfs/dbraw/zinc/55/77/93/372557793.db2.gz HTZOZTMHWFTPHL-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP C[N@H+]1CC[C@@H](CC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000635494399 372557797 /nfs/dbraw/zinc/55/77/97/372557797.db2.gz HTZOZTMHWFTPHL-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP C[NH+]1CC[C@@H](CC(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000635494399 372557799 /nfs/dbraw/zinc/55/77/99/372557799.db2.gz HTZOZTMHWFTPHL-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP C[NH+]1CC[C@@H](CC(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000635494399 372557803 /nfs/dbraw/zinc/55/78/03/372557803.db2.gz HTZOZTMHWFTPHL-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP Cn1cc[nH+]c1CN1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000567994251 291544678 /nfs/dbraw/zinc/54/46/78/291544678.db2.gz HTEKNWPTOGNCAU-UHFFFAOYSA-N 2 2 278.400 0.747 20 0 CCADLP C[C@H](C(=O)NCCCNc1cccc[nH+]1)[NH+](C)C ZINC000635580644 372654585 /nfs/dbraw/zinc/65/45/85/372654585.db2.gz IMUJNZSSEGCRDX-LLVKDONJSA-N 2 2 250.346 0.950 20 0 CCADLP O=C(NCC[N@@H+]1CCCOCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000333067851 205002912 /nfs/dbraw/zinc/00/29/12/205002912.db2.gz JRHBCRVPULDDOC-ZDUSSCGKSA-N 2 2 292.383 0.284 20 0 CCADLP O=C(NCC[N@H+]1CCCOCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000333067851 205002914 /nfs/dbraw/zinc/00/29/14/205002914.db2.gz JRHBCRVPULDDOC-ZDUSSCGKSA-N 2 2 292.383 0.284 20 0 CCADLP Cc1ccc2[nH+]c(Cn3cc([C@@H]([NH3+])CO)nn3)cn2c1 ZINC000656448010 412799669 /nfs/dbraw/zinc/79/96/69/412799669.db2.gz DSGBGYPTTCBOBU-NSHDSACASA-N 2 2 272.312 0.275 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1CN1CCOCC1 ZINC000514737720 284341197 /nfs/dbraw/zinc/34/11/97/284341197.db2.gz QVMPVLXFXOVOFL-HZPDHXFCSA-N 2 2 299.459 0.486 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1CN1CCOCC1 ZINC000514737720 284341198 /nfs/dbraw/zinc/34/11/98/284341198.db2.gz QVMPVLXFXOVOFL-HZPDHXFCSA-N 2 2 299.459 0.486 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000514737720 284341199 /nfs/dbraw/zinc/34/11/99/284341199.db2.gz QVMPVLXFXOVOFL-HZPDHXFCSA-N 2 2 299.459 0.486 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000514737720 284341200 /nfs/dbraw/zinc/34/12/00/284341200.db2.gz QVMPVLXFXOVOFL-HZPDHXFCSA-N 2 2 299.459 0.486 20 0 CCADLP CC[N@H+](C)C[C@@H](O)CN1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000514737720 284341201 /nfs/dbraw/zinc/34/12/01/284341201.db2.gz QVMPVLXFXOVOFL-HZPDHXFCSA-N 2 2 299.459 0.486 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)CN1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000514737720 284341202 /nfs/dbraw/zinc/34/12/02/284341202.db2.gz QVMPVLXFXOVOFL-HZPDHXFCSA-N 2 2 299.459 0.486 20 0 CCADLP C[NH+](C)CC1(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000635714212 372804292 /nfs/dbraw/zinc/80/42/92/372804292.db2.gz BAXXVSFQWGHDSD-SNVBAGLBSA-N 2 2 262.357 0.725 20 0 CCADLP C[NH+](C)CC1(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000635714212 372804295 /nfs/dbraw/zinc/80/42/95/372804295.db2.gz BAXXVSFQWGHDSD-SNVBAGLBSA-N 2 2 262.357 0.725 20 0 CCADLP C[NH+](C)C1CN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)C1 ZINC000635742615 372843405 /nfs/dbraw/zinc/84/34/05/372843405.db2.gz BTYINLSOWHLDEQ-UHFFFAOYSA-N 2 2 286.335 0.964 20 0 CCADLP C[C@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)[C@H]1CCC[NH2+]1 ZINC000333246040 205148812 /nfs/dbraw/zinc/14/88/12/205148812.db2.gz FSZNXIMWUXCLGI-QJPTWQEYSA-N 2 2 275.418 0.141 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000333366405 205257289 /nfs/dbraw/zinc/25/72/89/205257289.db2.gz LVMDBPAHWJZTLD-YNEHKIRRSA-N 2 2 284.404 0.147 20 0 CCADLP COCC[N@H+](C)Cc1cn(C2CC[NH2+]CC2)nn1 ZINC000656457129 412804112 /nfs/dbraw/zinc/80/41/12/412804112.db2.gz PMHQUJZNJNVQSI-UHFFFAOYSA-N 2 2 253.350 0.281 20 0 CCADLP COCC[N@@H+](C)Cc1cn(C2CC[NH2+]CC2)nn1 ZINC000656457129 412804115 /nfs/dbraw/zinc/80/41/15/412804115.db2.gz PMHQUJZNJNVQSI-UHFFFAOYSA-N 2 2 253.350 0.281 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000333488869 205368182 /nfs/dbraw/zinc/36/81/82/205368182.db2.gz IPAZAFBMXLGDSO-WCQYABFASA-N 2 2 290.367 0.936 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000333488869 205368184 /nfs/dbraw/zinc/36/81/84/205368184.db2.gz IPAZAFBMXLGDSO-WCQYABFASA-N 2 2 290.367 0.936 20 0 CCADLP C[C@H](C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)[NH+](C)C ZINC000635920571 373107457 /nfs/dbraw/zinc/10/74/57/373107457.db2.gz TVENLPSZXBQVHJ-JHJVBQTASA-N 2 2 269.389 0.258 20 0 CCADLP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCn2c[nH+]cc2C1 ZINC000635946038 373140094 /nfs/dbraw/zinc/14/00/94/373140094.db2.gz YDSILEGQAKHBJB-UHFFFAOYSA-N 2 2 292.383 0.584 20 0 CCADLP O=C(NC[C@H]1CCC[N@H+]1CCCO)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635974446 373186259 /nfs/dbraw/zinc/18/62/59/373186259.db2.gz BBNOJIXSQOURJU-JHJVBQTASA-N 2 2 292.383 0.476 20 0 CCADLP O=C(NC[C@H]1CCC[N@@H+]1CCCO)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635974446 373186261 /nfs/dbraw/zinc/18/62/61/373186261.db2.gz BBNOJIXSQOURJU-JHJVBQTASA-N 2 2 292.383 0.476 20 0 CCADLP O=C(NC[C@H]1CCC[N@H+]1CCCO)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635974446 373186268 /nfs/dbraw/zinc/18/62/68/373186268.db2.gz BBNOJIXSQOURJU-JHJVBQTASA-N 2 2 292.383 0.476 20 0 CCADLP O=C(NC[C@H]1CCC[N@@H+]1CCCO)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635974446 373186275 /nfs/dbraw/zinc/18/62/75/373186275.db2.gz BBNOJIXSQOURJU-JHJVBQTASA-N 2 2 292.383 0.476 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@H]2CCC[N@@H+]2CCCO)[nH+]1 ZINC000635975050 373186326 /nfs/dbraw/zinc/18/63/26/373186326.db2.gz LNSSRIAVXZTBRD-CYBMUJFWSA-N 2 2 294.399 0.478 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@H]2CCC[N@H+]2CCCO)[nH+]1 ZINC000635975050 373186336 /nfs/dbraw/zinc/18/63/36/373186336.db2.gz LNSSRIAVXZTBRD-CYBMUJFWSA-N 2 2 294.399 0.478 20 0 CCADLP C[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)c1[nH+]ccn1C ZINC000636212469 373458460 /nfs/dbraw/zinc/45/84/60/373458460.db2.gz YURTVWRLNNLLAV-GFCCVEGCSA-N 2 2 294.399 0.956 20 0 CCADLP C[C@H](C(=O)N1CC[NH+](CCc2cnccn2)CC1)[NH+](C)C ZINC000636330522 373554468 /nfs/dbraw/zinc/55/44/68/373554468.db2.gz VNDDJAPNNIJMPA-CYBMUJFWSA-N 2 2 291.399 0.113 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc2c(n1)CCC2 ZINC000656507990 412814398 /nfs/dbraw/zinc/81/43/98/412814398.db2.gz GRGVHENCKKNKFB-OAHLLOKOSA-N 2 2 263.385 0.973 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000574462055 335021802 /nfs/dbraw/zinc/02/18/02/335021802.db2.gz FLNSGVZQSGCSQG-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000574462055 335021804 /nfs/dbraw/zinc/02/18/04/335021804.db2.gz FLNSGVZQSGCSQG-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)C[NH+]2CC[C@H](C)C2)CCO1 ZINC000574462259 335021900 /nfs/dbraw/zinc/02/19/00/335021900.db2.gz DTJANNYWCQTHFW-KBPBESRZSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)C[NH+]2CC[C@H](C)C2)CCO1 ZINC000574462259 335021902 /nfs/dbraw/zinc/02/19/02/335021902.db2.gz DTJANNYWCQTHFW-KBPBESRZSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@H]1C[NH+](CCNC(=O)C[N@@H+]2CC[C@H](C)C2)CCO1 ZINC000574462259 335021903 /nfs/dbraw/zinc/02/19/03/335021903.db2.gz DTJANNYWCQTHFW-KBPBESRZSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@H]1C[NH+](CCNC(=O)C[N@H+]2CC[C@H](C)C2)CCO1 ZINC000574462259 335021905 /nfs/dbraw/zinc/02/19/05/335021905.db2.gz DTJANNYWCQTHFW-KBPBESRZSA-N 2 2 283.416 0.555 20 0 CCADLP C[N@@H+]1CCC[C@H](CCNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000637216426 374019620 /nfs/dbraw/zinc/01/96/20/374019620.db2.gz NZAWYPVMSDACJU-CHWSQXEVSA-N 2 2 291.399 0.839 20 0 CCADLP C[N@H+]1CCC[C@H](CCNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000637216426 374019624 /nfs/dbraw/zinc/01/96/24/374019624.db2.gz NZAWYPVMSDACJU-CHWSQXEVSA-N 2 2 291.399 0.839 20 0 CCADLP O=C(NCC[NH2+]C1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000637339586 374111008 /nfs/dbraw/zinc/11/10/08/374111008.db2.gz KCSUNVITSGLNBP-UHFFFAOYSA-N 2 2 289.383 0.665 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000289493974 197375128 /nfs/dbraw/zinc/37/51/28/197375128.db2.gz CRZHHVKHXNGRPS-CQSZACIVSA-N 2 2 292.383 0.286 20 0 CCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000637442685 374165298 /nfs/dbraw/zinc/16/52/98/374165298.db2.gz GFSJEZIIBXMTAK-UONOGXRCSA-N 2 2 298.431 0.300 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000637442685 374165303 /nfs/dbraw/zinc/16/53/03/374165303.db2.gz GFSJEZIIBXMTAK-UONOGXRCSA-N 2 2 298.431 0.300 20 0 CCADLP CC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000637442685 374165312 /nfs/dbraw/zinc/16/53/12/374165312.db2.gz GFSJEZIIBXMTAK-UONOGXRCSA-N 2 2 298.431 0.300 20 0 CCADLP CC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000637442685 374165317 /nfs/dbraw/zinc/16/53/17/374165317.db2.gz GFSJEZIIBXMTAK-UONOGXRCSA-N 2 2 298.431 0.300 20 0 CCADLP CC(C)C[NH+]1CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000637446914 374172327 /nfs/dbraw/zinc/17/23/27/374172327.db2.gz UVSHQOQENNGVIF-AWEZNQCLSA-N 2 2 298.431 0.300 20 0 CCADLP CC(C)C[NH+]1CCN(C(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000637446914 374172329 /nfs/dbraw/zinc/17/23/29/374172329.db2.gz UVSHQOQENNGVIF-AWEZNQCLSA-N 2 2 298.431 0.300 20 0 CCADLP C/C=C\CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000637483818 374192896 /nfs/dbraw/zinc/19/28/96/374192896.db2.gz RMHJIBHUSXDHOJ-WAYWQWQTSA-N 2 2 256.394 0.745 20 0 CCADLP C/C=C\CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000637483818 374192902 /nfs/dbraw/zinc/19/29/02/374192902.db2.gz RMHJIBHUSXDHOJ-WAYWQWQTSA-N 2 2 256.394 0.745 20 0 CCADLP CO[C@H]1C[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000637544299 374224063 /nfs/dbraw/zinc/22/40/63/374224063.db2.gz XQFQPTQNDQENLX-JOCQHMNTSA-N 2 2 286.420 0.347 20 0 CCADLP CO[C@H]1C[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000637544299 374224069 /nfs/dbraw/zinc/22/40/69/374224069.db2.gz XQFQPTQNDQENLX-JOCQHMNTSA-N 2 2 286.420 0.347 20 0 CCADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)Nc2ccc(N)[nH+]c2)C1 ZINC000637827154 374367147 /nfs/dbraw/zinc/36/71/47/374367147.db2.gz CTURCIYWGNMRFX-BXKDBHETSA-N 2 2 250.302 0.200 20 0 CCADLP CCc1c[nH]c(CC(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)[nH+]1 ZINC000637839038 374386402 /nfs/dbraw/zinc/38/64/02/374386402.db2.gz FXKUXLVYYLMUMB-UWVGGRQHSA-N 2 2 250.346 0.723 20 0 CCADLP C[C@H](CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C(F)(F)F ZINC000637864131 374424765 /nfs/dbraw/zinc/42/47/65/374424765.db2.gz MUTOBAWRXWLSTD-RKDXNWHRSA-N 2 2 267.295 0.676 20 0 CCADLP C[C@H](CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C(F)(F)F ZINC000637864131 374424771 /nfs/dbraw/zinc/42/47/71/374424771.db2.gz MUTOBAWRXWLSTD-RKDXNWHRSA-N 2 2 267.295 0.676 20 0 CCADLP O=C(CCC1C[NH2+]C1)NCc1cn2ccccc2[nH+]1 ZINC000638051350 374593226 /nfs/dbraw/zinc/59/32/26/374593226.db2.gz GECQCQIRMIXUMW-UHFFFAOYSA-N 2 2 258.325 0.950 20 0 CCADLP COc1cccc([C@@H]([NH3+])C(=O)NCCn2cc[nH+]c2)c1 ZINC000638051913 374594377 /nfs/dbraw/zinc/59/43/77/374594377.db2.gz UVACOAZBSTZSJV-CYBMUJFWSA-N 2 2 274.324 0.708 20 0 CCADLP C[C@]1(C(=O)NCCCCn2cc[nH+]c2)C[NH2+]CCO1 ZINC000638075229 374631391 /nfs/dbraw/zinc/63/13/91/374631391.db2.gz HFWKACQHMJZMBQ-CYBMUJFWSA-N 2 2 266.345 0.158 20 0 CCADLP CO[C@H]1C[NH2+][C@](C)(C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000638061816 374607646 /nfs/dbraw/zinc/60/76/46/374607646.db2.gz HUZOEDKGHLSZBX-OCCSQVGLSA-N 2 2 267.373 0.060 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000638089440 374649621 /nfs/dbraw/zinc/64/96/21/374649621.db2.gz AAKXRRCCDIHHOY-NSHDSACASA-N 2 2 257.378 0.211 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000638089440 374649626 /nfs/dbraw/zinc/64/96/26/374649626.db2.gz AAKXRRCCDIHHOY-NSHDSACASA-N 2 2 257.378 0.211 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)[C@@H]3OCC[C@@H]3[NH3+])cn21 ZINC000638111304 374677543 /nfs/dbraw/zinc/67/75/43/374677543.db2.gz DAVNTLXCBOVLQZ-WCQYABFASA-N 2 2 274.324 0.375 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)[C@@]3(C)C[NH2+]CCO3)cn21 ZINC000638112988 374679706 /nfs/dbraw/zinc/67/97/06/374679706.db2.gz PFYSOXZXNNYLGM-OAHLLOKOSA-N 2 2 288.351 0.637 20 0 CCADLP C[C@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000638116276 374683471 /nfs/dbraw/zinc/68/34/71/374683471.db2.gz JAYWNOCZKHHUQY-RYUDHWBXSA-N 3 2 268.405 0.008 20 0 CCADLP C[C@H]([NH3+])CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000638116276 374683474 /nfs/dbraw/zinc/68/34/74/374683474.db2.gz JAYWNOCZKHHUQY-RYUDHWBXSA-N 3 2 268.405 0.008 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000638165582 374744920 /nfs/dbraw/zinc/74/49/20/374744920.db2.gz QQMVIMJKYGUSRR-CYBMUJFWSA-N 2 2 250.346 0.767 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000638165582 374744931 /nfs/dbraw/zinc/74/49/31/374744931.db2.gz QQMVIMJKYGUSRR-CYBMUJFWSA-N 2 2 250.346 0.767 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)NCC(F)(F)C[NH3+] ZINC000638174415 374757616 /nfs/dbraw/zinc/75/76/16/374757616.db2.gz NNXCLRUZXNZRAX-UHFFFAOYSA-N 2 2 260.288 0.717 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NCC(F)(F)C[NH3+])CC2 ZINC000638173596 374757698 /nfs/dbraw/zinc/75/76/98/374757698.db2.gz APTVEICLIZXSPG-SECBINFHSA-N 2 2 272.299 0.464 20 0 CCADLP C[N@H+](CC1CC1)C[C@H]1CCN(Cc2c[nH+]c(N)nc2N)C1 ZINC000638134993 374704478 /nfs/dbraw/zinc/70/44/78/374704478.db2.gz QYGDHHGSQZYCRH-GFCCVEGCSA-N 2 2 290.415 0.465 20 0 CCADLP C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2c[nH+]c(N)nc2N)C1 ZINC000638134993 374704482 /nfs/dbraw/zinc/70/44/82/374704482.db2.gz QYGDHHGSQZYCRH-GFCCVEGCSA-N 2 2 290.415 0.465 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)[nH+]1 ZINC000638156129 374728802 /nfs/dbraw/zinc/72/88/02/374728802.db2.gz HAQSSPBATHCYNG-ZJUUUORDSA-N 2 2 250.346 0.710 20 0 CCADLP COC[C@@]1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC[NH2+]1 ZINC000638230008 374820618 /nfs/dbraw/zinc/82/06/18/374820618.db2.gz IDNQJLZOKMZCID-GYSYKLTISA-N 2 2 278.356 0.398 20 0 CCADLP COC[C@@]1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC[NH2+]1 ZINC000638230008 374820625 /nfs/dbraw/zinc/82/06/25/374820625.db2.gz IDNQJLZOKMZCID-GYSYKLTISA-N 2 2 278.356 0.398 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)[nH+]1 ZINC000638201567 374783429 /nfs/dbraw/zinc/78/34/29/374783429.db2.gz MQFHQQIUODALDU-ZYHUDNBSSA-N 2 2 262.357 0.725 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[NH2+][C@H](C)[C@@H]2C)[nH+]1 ZINC000638203367 374786365 /nfs/dbraw/zinc/78/63/65/374786365.db2.gz FJPQYIBNFAXPOT-ZJUUUORDSA-N 2 2 250.346 0.723 20 0 CCADLP O=C(CN1CC[NH2+]CC1)NCc1ccccc1-n1cc[nH+]c1 ZINC000638276775 374879946 /nfs/dbraw/zinc/87/99/46/374879946.db2.gz PRVIQCMJBZEMIG-UHFFFAOYSA-N 2 2 299.378 0.394 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000638253432 374849263 /nfs/dbraw/zinc/84/92/63/374849263.db2.gz NNLUERQWVHFEQF-LBPRGKRZSA-N 2 2 254.309 0.352 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000638265984 374863625 /nfs/dbraw/zinc/86/36/25/374863625.db2.gz IFDWGENAESSBMK-IUCAKERBSA-N 2 2 267.295 0.867 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000638265984 374863629 /nfs/dbraw/zinc/86/36/29/374863629.db2.gz IFDWGENAESSBMK-IUCAKERBSA-N 2 2 267.295 0.867 20 0 CCADLP CN(CC[NH3+])C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000638343980 374943978 /nfs/dbraw/zinc/94/39/78/374943978.db2.gz QHESWXHEJYJIGI-QMMMGPOBSA-N 2 2 264.251 0.794 20 0 CCADLP Cc1cc(C[NH3+])cc(NC(=O)[C@@H](C)N2CC[NH2+]CC2=O)c1 ZINC000638364872 374961429 /nfs/dbraw/zinc/96/14/29/374961429.db2.gz CSQXGFMPHGNPHY-LLVKDONJSA-N 2 2 290.367 0.213 20 0 CCADLP COC[C@@]1(C(=O)N(C)CCCn2cc[nH+]c2)CCCC[NH2+]1 ZINC000638301424 374906818 /nfs/dbraw/zinc/90/68/18/374906818.db2.gz OCSSKNZWXXZBMD-OAHLLOKOSA-N 2 2 294.399 0.890 20 0 CCADLP CO[C@H](C[NH2+]CCn1cc[nH+]c1)C1CCOCC1 ZINC000638299602 374906873 /nfs/dbraw/zinc/90/68/73/374906873.db2.gz ZQKMTQBCDJDGFV-CYBMUJFWSA-N 2 2 253.346 0.914 20 0 CCADLP COC[C@]1(C(=O)N(C)CCCn2cc[nH+]c2)CCCC[NH2+]1 ZINC000638301423 374907101 /nfs/dbraw/zinc/90/71/01/374907101.db2.gz OCSSKNZWXXZBMD-HNNXBMFYSA-N 2 2 294.399 0.890 20 0 CCADLP C[C@H](C[NH2+]Cc1cnc(N)nc1N)C[NH+]1CCCCC1 ZINC000638391446 374985630 /nfs/dbraw/zinc/98/56/30/374985630.db2.gz QSEMQCXPJGAUKU-LLVKDONJSA-N 2 2 278.404 0.513 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C2=CC[C@@H]([NH3+])C2)[C@H](C)CO1 ZINC000638407361 375004891 /nfs/dbraw/zinc/00/48/91/375004891.db2.gz UTTOOXPKCXPEFU-NQBHXWOUSA-N 2 2 267.373 0.259 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2=CC[C@@H]([NH3+])C2)[C@H](C)CO1 ZINC000638407361 375004897 /nfs/dbraw/zinc/00/48/97/375004897.db2.gz UTTOOXPKCXPEFU-NQBHXWOUSA-N 2 2 267.373 0.259 20 0 CCADLP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NCc1c[nH+]c(N)nc1N ZINC000638417495 375015362 /nfs/dbraw/zinc/01/53/62/375015362.db2.gz HWZRYICSISYKKF-UTUOFQBUSA-N 2 2 292.431 0.758 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638428665 375026916 /nfs/dbraw/zinc/02/69/16/375026916.db2.gz XWSWILNIEBVVAE-MFKMUULPSA-N 2 2 266.345 0.459 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)[nH+]1 ZINC000638640318 375244286 /nfs/dbraw/zinc/24/42/86/375244286.db2.gz QSLLJGBOPYCMGB-ONGXEEELSA-N 2 2 250.346 0.771 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000638609804 375189847 /nfs/dbraw/zinc/18/98/47/375189847.db2.gz HCUZKQRFDXSLKG-KBPBESRZSA-N 2 2 283.416 0.731 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000638609804 375189848 /nfs/dbraw/zinc/18/98/48/375189848.db2.gz HCUZKQRFDXSLKG-KBPBESRZSA-N 2 2 283.416 0.731 20 0 CCADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638608443 375190021 /nfs/dbraw/zinc/19/00/21/375190021.db2.gz AYVUFUBMOQNSDQ-NEPJUHHUSA-N 2 2 271.405 0.457 20 0 CCADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638608443 375190027 /nfs/dbraw/zinc/19/00/27/375190027.db2.gz AYVUFUBMOQNSDQ-NEPJUHHUSA-N 2 2 271.405 0.457 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccccc1CC[NH3+] ZINC000638610884 375191658 /nfs/dbraw/zinc/19/16/58/375191658.db2.gz LQTMMGLPONLKGB-CYBMUJFWSA-N 2 2 277.368 0.248 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)c1ccccc1CC[NH3+] ZINC000638610884 375191662 /nfs/dbraw/zinc/19/16/62/375191662.db2.gz LQTMMGLPONLKGB-CYBMUJFWSA-N 2 2 277.368 0.248 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C[NH3+])cc1 ZINC000638610893 375192395 /nfs/dbraw/zinc/19/23/95/375192395.db2.gz LSWUNNLBXXMWGM-ZDUSSCGKSA-N 2 2 263.341 0.206 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)c1ccc(C[NH3+])cc1 ZINC000638610893 375192400 /nfs/dbraw/zinc/19/24/00/375192400.db2.gz LSWUNNLBXXMWGM-ZDUSSCGKSA-N 2 2 263.341 0.206 20 0 CCADLP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H]2COCC[N@@H+]2C)cc1 ZINC000638611789 375193626 /nfs/dbraw/zinc/19/36/26/375193626.db2.gz QIWLDQWPPKWKJI-BXUZGUMPSA-N 2 2 277.368 0.767 20 0 CCADLP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H]2COCC[N@H+]2C)cc1 ZINC000638611789 375193630 /nfs/dbraw/zinc/19/36/30/375193630.db2.gz QIWLDQWPPKWKJI-BXUZGUMPSA-N 2 2 277.368 0.767 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000638611765 375193852 /nfs/dbraw/zinc/19/38/52/375193852.db2.gz QFCYJDBPMOVPKJ-NEPJUHHUSA-N 2 2 269.389 0.211 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000638611765 375193858 /nfs/dbraw/zinc/19/38/58/375193858.db2.gz QFCYJDBPMOVPKJ-NEPJUHHUSA-N 2 2 269.389 0.211 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C[C@@H]([NH3+])Cc1ccccc1 ZINC000638612989 375195935 /nfs/dbraw/zinc/19/59/35/375195935.db2.gz ZKWVKVXKHNQFTO-GJZGRUSLSA-N 2 2 291.395 0.393 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C[C@@H]([NH3+])Cc1ccccc1 ZINC000638612989 375195943 /nfs/dbraw/zinc/19/59/43/375195943.db2.gz ZKWVKVXKHNQFTO-GJZGRUSLSA-N 2 2 291.395 0.393 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C[C@H]([NH3+])Cc1ccccc1 ZINC000638612988 375197055 /nfs/dbraw/zinc/19/70/55/375197055.db2.gz ZKWVKVXKHNQFTO-CABCVRRESA-N 2 2 291.395 0.393 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C[C@H]([NH3+])Cc1ccccc1 ZINC000638612988 375197065 /nfs/dbraw/zinc/19/70/65/375197065.db2.gz ZKWVKVXKHNQFTO-CABCVRRESA-N 2 2 291.395 0.393 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000638612614 375197138 /nfs/dbraw/zinc/19/71/38/375197138.db2.gz VUMGZDVPRGUTHN-ZIAGYGMSSA-N 2 2 277.368 0.003 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000638612614 375197146 /nfs/dbraw/zinc/19/71/46/375197146.db2.gz VUMGZDVPRGUTHN-ZIAGYGMSSA-N 2 2 277.368 0.003 20 0 CCADLP C[C@H](C[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1)C[NH+]1CCOCC1 ZINC000638675030 375279636 /nfs/dbraw/zinc/27/96/36/375279636.db2.gz QQBRREIBRWBJIY-ILXRZTDVSA-N 2 2 297.443 0.992 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCc2c(O)cccc2C1 ZINC000638697916 375304108 /nfs/dbraw/zinc/30/41/08/375304108.db2.gz OHECJBCFDMCUCH-ZDUSSCGKSA-N 2 2 277.368 0.556 20 0 CCADLP CO[C@@]1(C[NH2+]C[C@]2([NH+](C)C)CCSC2)CCOC1 ZINC000638721958 375320141 /nfs/dbraw/zinc/32/01/41/375320141.db2.gz PPHRNFKTOBVFDP-CHWSQXEVSA-N 2 2 274.430 0.819 20 0 CCADLP [NH3+]CC12CC(C1)CN2c1cc(-n2cc[nH+]c2)ncn1 ZINC000656611092 412835435 /nfs/dbraw/zinc/83/54/35/412835435.db2.gz SVNARJBNZAPBPE-UHFFFAOYSA-N 2 2 256.313 0.590 20 0 CCADLP C[C@H](O)CNc1cc(N2CC3CC2(C[NH3+])C3)nc[nH+]1 ZINC000656610610 412835451 /nfs/dbraw/zinc/83/54/51/412835451.db2.gz GTPTWYHBKXTAPH-JBLZRFIASA-N 2 2 263.345 0.197 20 0 CCADLP Cn1cnc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC000638984961 375496892 /nfs/dbraw/zinc/49/68/92/375496892.db2.gz WSZCNJHGAQGDLK-UHFFFAOYSA-N 2 2 286.339 0.477 20 0 CCADLP CC(C)([NH3+])C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987773 375499938 /nfs/dbraw/zinc/49/99/38/375499938.db2.gz ZDIGZAQIDNLDLV-UHFFFAOYSA-N 3 2 263.345 0.167 20 0 CCADLP Cc1cc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)ncn1 ZINC000638986060 375500378 /nfs/dbraw/zinc/50/03/78/375500378.db2.gz SVTGCRSERSOMRH-UHFFFAOYSA-N 2 2 298.350 0.842 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000639013243 375516233 /nfs/dbraw/zinc/51/62/33/375516233.db2.gz KIVBDMKOZCJNSK-JTQLQIEISA-N 2 2 252.318 0.137 20 0 CCADLP O=C1C[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)CCCN1 ZINC000639149679 375605247 /nfs/dbraw/zinc/60/52/47/375605247.db2.gz SOFAWLWZXJHIAT-NSHDSACASA-N 2 2 262.357 0.978 20 0 CCADLP CO[C@]1(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CCOC1 ZINC000639301552 375710924 /nfs/dbraw/zinc/71/09/24/375710924.db2.gz GZSHMNMFXACPDW-CVEARBPZSA-N 2 2 298.427 0.979 20 0 CCADLP CO[C@]1(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CCOC1 ZINC000639301552 375710930 /nfs/dbraw/zinc/71/09/30/375710930.db2.gz GZSHMNMFXACPDW-CVEARBPZSA-N 2 2 298.427 0.979 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(=O)[nH]c2)CC1 ZINC000639332514 375731244 /nfs/dbraw/zinc/73/12/44/375731244.db2.gz MLKLKFHLZWWENZ-UHFFFAOYSA-N 2 2 273.340 0.843 20 0 CCADLP Cc1cccn2c(CN3CC[N@@H+](C)C[C@H]3CO)c[nH+]c12 ZINC000639336566 375739710 /nfs/dbraw/zinc/73/97/10/375739710.db2.gz KPZGQKMAEQVEHX-AWEZNQCLSA-N 2 2 274.368 0.751 20 0 CCADLP Cc1cccn2c(CN3CC[N@H+](C)C[C@H]3CO)c[nH+]c12 ZINC000639336566 375739713 /nfs/dbraw/zinc/73/97/13/375739713.db2.gz KPZGQKMAEQVEHX-AWEZNQCLSA-N 2 2 274.368 0.751 20 0 CCADLP c1nc2n(n1)[C@@H](C[N@@H+]1CC[C@H](C[NH+]3CCOCC3)C1)CC2 ZINC000639496899 375810597 /nfs/dbraw/zinc/81/05/97/375810597.db2.gz IJECAYRJUDAEIQ-ZIAGYGMSSA-N 2 2 291.399 0.420 20 0 CCADLP c1nc2n(n1)[C@@H](C[N@H+]1CC[C@H](C[NH+]3CCOCC3)C1)CC2 ZINC000639496899 375810602 /nfs/dbraw/zinc/81/06/02/375810602.db2.gz IJECAYRJUDAEIQ-ZIAGYGMSSA-N 2 2 291.399 0.420 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000639515471 375819262 /nfs/dbraw/zinc/81/92/62/375819262.db2.gz LFBWROZWKYJCBX-ZIAGYGMSSA-N 2 2 265.357 0.842 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000639515471 375819268 /nfs/dbraw/zinc/81/92/68/375819268.db2.gz LFBWROZWKYJCBX-ZIAGYGMSSA-N 2 2 265.357 0.842 20 0 CCADLP C[C@H]1OCC[C@H]1C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000639543436 375828466 /nfs/dbraw/zinc/82/84/66/375828466.db2.gz GOIXMFIWNJVMBM-OLZOCXBDSA-N 2 2 264.373 0.967 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H]1CCc2ncnn21 ZINC000639551275 375833154 /nfs/dbraw/zinc/83/31/54/375833154.db2.gz ISHJFAFCXLKSEK-LBPRGKRZSA-N 2 2 260.345 0.984 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H]1CCc2ncnn21 ZINC000639551275 375833159 /nfs/dbraw/zinc/83/31/59/375833159.db2.gz ISHJFAFCXLKSEK-LBPRGKRZSA-N 2 2 260.345 0.984 20 0 CCADLP C[C@H](O)C[C@@H]1COCC[N@@H+]1CCc1c[nH+]cn1C ZINC000639586866 375844893 /nfs/dbraw/zinc/84/48/93/375844893.db2.gz ADCZIPMXFZKZIN-WCQYABFASA-N 2 2 253.346 0.434 20 0 CCADLP C[C@H](O)C[C@@H]1COCC[N@H+]1CCc1c[nH+]cn1C ZINC000639586866 375844896 /nfs/dbraw/zinc/84/48/96/375844896.db2.gz ADCZIPMXFZKZIN-WCQYABFASA-N 2 2 253.346 0.434 20 0 CCADLP CCC(=O)N1CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)CC1 ZINC000656698980 412842474 /nfs/dbraw/zinc/84/24/74/412842474.db2.gz DLQSOCQWCPMTDS-CQSZACIVSA-N 2 2 285.432 0.632 20 0 CCADLP CCC(=O)N1CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)CC1 ZINC000656698980 412842475 /nfs/dbraw/zinc/84/24/75/412842475.db2.gz DLQSOCQWCPMTDS-CQSZACIVSA-N 2 2 285.432 0.632 20 0 CCADLP CCC(=O)N1CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000656698980 412842476 /nfs/dbraw/zinc/84/24/76/412842476.db2.gz DLQSOCQWCPMTDS-CQSZACIVSA-N 2 2 285.432 0.632 20 0 CCADLP CCC(=O)N1CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000656698980 412842477 /nfs/dbraw/zinc/84/24/77/412842477.db2.gz DLQSOCQWCPMTDS-CQSZACIVSA-N 2 2 285.432 0.632 20 0 CCADLP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1CCc1c[nH+]cn1C ZINC000639675008 375906877 /nfs/dbraw/zinc/90/68/77/375906877.db2.gz YNHOQBPZMJBLPB-STQMWFEESA-N 2 2 266.389 0.350 20 0 CCADLP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1CCc1c[nH+]cn1C ZINC000639675008 375906884 /nfs/dbraw/zinc/90/68/84/375906884.db2.gz YNHOQBPZMJBLPB-STQMWFEESA-N 2 2 266.389 0.350 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000639622865 375867969 /nfs/dbraw/zinc/86/79/69/375867969.db2.gz JSUYLJKQYREHEF-JTQLQIEISA-N 2 2 277.328 0.931 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000639622865 375867971 /nfs/dbraw/zinc/86/79/71/375867971.db2.gz JSUYLJKQYREHEF-JTQLQIEISA-N 2 2 277.328 0.931 20 0 CCADLP Cc1nccc(C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)n1 ZINC000639765151 375992150 /nfs/dbraw/zinc/99/21/50/375992150.db2.gz HRMKKAVWUIICTM-AWEZNQCLSA-N 2 2 264.373 0.674 20 0 CCADLP Cc1nccc(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)n1 ZINC000639765151 375992155 /nfs/dbraw/zinc/99/21/55/375992155.db2.gz HRMKKAVWUIICTM-AWEZNQCLSA-N 2 2 264.373 0.674 20 0 CCADLP Cc1nn(C)cc1C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764949 375993730 /nfs/dbraw/zinc/99/37/30/375993730.db2.gz YIHSFGWBVRRDHK-AWEZNQCLSA-N 2 2 266.389 0.617 20 0 CCADLP Cc1nn(C)cc1C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764949 375993736 /nfs/dbraw/zinc/99/37/36/375993736.db2.gz YIHSFGWBVRRDHK-AWEZNQCLSA-N 2 2 266.389 0.617 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000639765893 375996419 /nfs/dbraw/zinc/99/64/19/375996419.db2.gz JFSFOBTVPLNOGE-GJZGRUSLSA-N 3 2 269.433 0.859 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000639765893 375996422 /nfs/dbraw/zinc/99/64/22/375996422.db2.gz JFSFOBTVPLNOGE-GJZGRUSLSA-N 3 2 269.433 0.859 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000639765893 375996424 /nfs/dbraw/zinc/99/64/24/375996424.db2.gz JFSFOBTVPLNOGE-GJZGRUSLSA-N 3 2 269.433 0.859 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000639765893 375996426 /nfs/dbraw/zinc/99/64/26/375996426.db2.gz JFSFOBTVPLNOGE-GJZGRUSLSA-N 3 2 269.433 0.859 20 0 CCADLP C[N@H+](CCO[C@@H]1CCCCO1)CC(=O)N1CC[NH+](C)CC1 ZINC000640051694 376218432 /nfs/dbraw/zinc/21/84/32/376218432.db2.gz WHIUPEIVRJJTSM-OAHLLOKOSA-N 2 2 299.415 0.235 20 0 CCADLP C[N@@H+](CCO[C@@H]1CCCCO1)CC(=O)N1CC[NH+](C)CC1 ZINC000640051694 376218438 /nfs/dbraw/zinc/21/84/38/376218438.db2.gz WHIUPEIVRJJTSM-OAHLLOKOSA-N 2 2 299.415 0.235 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)C1CCCCC1 ZINC000640051648 376218569 /nfs/dbraw/zinc/21/85/69/376218569.db2.gz USEWXDBVUGNXQD-HNNXBMFYSA-N 2 2 297.443 0.633 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)C1CCCCC1 ZINC000640051648 376218574 /nfs/dbraw/zinc/21/85/74/376218574.db2.gz USEWXDBVUGNXQD-HNNXBMFYSA-N 2 2 297.443 0.633 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000640381987 376346298 /nfs/dbraw/zinc/34/62/98/376346298.db2.gz FLMVOJXYIGUUQH-MRXNPFEDSA-N 2 2 297.443 0.552 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000104598533 284578539 /nfs/dbraw/zinc/57/85/39/284578539.db2.gz SDVNMYQCRASZRE-OLZOCXBDSA-N 2 2 271.405 0.554 20 0 CCADLP Cc1cccc2[nH+]c(Cn3cc(C[C@H]([NH3+])CO)nn3)cn21 ZINC000641029266 376684407 /nfs/dbraw/zinc/68/44/07/376684407.db2.gz DYFZNQDKEHERMM-NSHDSACASA-N 2 2 286.339 0.145 20 0 CCADLP c1c(C[NH2+]C2CCCC2)nnn1CC[NH+]1CCOCC1 ZINC000641032290 376688635 /nfs/dbraw/zinc/68/86/35/376688635.db2.gz CVARORJXZSAJJD-UHFFFAOYSA-N 2 2 279.388 0.643 20 0 CCADLP COCC[N@H+](C)Cc1cn(Cc2c[nH+]cn2C)nn1 ZINC000641037774 376697766 /nfs/dbraw/zinc/69/77/66/376697766.db2.gz FUQBHZVQWSBNBB-UHFFFAOYSA-N 2 2 264.333 0.138 20 0 CCADLP COCC[N@@H+](C)Cc1cn(Cc2c[nH+]cn2C)nn1 ZINC000641037774 376697774 /nfs/dbraw/zinc/69/77/74/376697774.db2.gz FUQBHZVQWSBNBB-UHFFFAOYSA-N 2 2 264.333 0.138 20 0 CCADLP COC[C@H]([NH3+])Cc1cn(Cc2cc[nH+]c(C)c2)nn1 ZINC000641088887 376763979 /nfs/dbraw/zinc/76/39/79/376763979.db2.gz KTPHJQYGOCVHLK-GFCCVEGCSA-N 2 2 261.329 0.546 20 0 CCADLP CN(CC[NH3+])C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000569118233 291652730 /nfs/dbraw/zinc/65/27/30/291652730.db2.gz DOFNRIKPZFPDQP-UHFFFAOYSA-N 2 2 258.325 0.962 20 0 CCADLP COc1cc[nH+]cc1Cn1cc([C@@H]([NH3+])[C@@H]2CCCO2)nn1 ZINC000641168313 376837132 /nfs/dbraw/zinc/83/71/32/376837132.db2.gz GJZIAULNJXCYCH-UONOGXRCSA-N 2 2 289.339 0.909 20 0 CCADLP C[C@@H]1C[C@@H](NS(=O)(=O)CCn2cc[nH+]c2)C[N@@H+]1C1CC1 ZINC000641375394 377047296 /nfs/dbraw/zinc/04/72/96/377047296.db2.gz FZGIMIFXOHZWTR-VXGBXAGGSA-N 2 2 298.412 0.428 20 0 CCADLP C[C@@H]1C[C@@H](NS(=O)(=O)CCn2cc[nH+]c2)C[N@H+]1C1CC1 ZINC000641375394 377047301 /nfs/dbraw/zinc/04/73/01/377047301.db2.gz FZGIMIFXOHZWTR-VXGBXAGGSA-N 2 2 298.412 0.428 20 0 CCADLP O=S(=O)(CCn1cc[nH+]c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000641313729 376986724 /nfs/dbraw/zinc/98/67/24/376986724.db2.gz APALJZBDDOGUTN-ZDUSSCGKSA-N 2 2 298.412 0.383 20 0 CCADLP CC[C@H](C)[N@H+](C)CCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641317977 376991391 /nfs/dbraw/zinc/99/13/91/376991391.db2.gz DMTRHTLTAXCMGD-LBPRGKRZSA-N 2 2 288.417 0.533 20 0 CCADLP CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641317977 376991397 /nfs/dbraw/zinc/99/13/97/376991397.db2.gz DMTRHTLTAXCMGD-LBPRGKRZSA-N 2 2 288.417 0.533 20 0 CCADLP C[NH+](C)C[C@H]1CCCN1S(=O)(=O)CCn1cc[nH+]c1 ZINC000641383562 377055470 /nfs/dbraw/zinc/05/54/70/377055470.db2.gz RRUVQIAVKYBJJT-GFCCVEGCSA-N 2 2 286.401 0.239 20 0 CCADLP Cc1cc[nH+]cc1N1CCN(C(=O)NC[C@@H](C)[NH3+])CC1 ZINC000641474042 377155832 /nfs/dbraw/zinc/15/58/32/377155832.db2.gz LAQHSDWMWIAYQG-GFCCVEGCSA-N 2 2 277.372 0.569 20 0 CCADLP C[NH+](C)CC(C)(C)[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000459552306 249042580 /nfs/dbraw/zinc/04/25/80/249042580.db2.gz VMFHXMYZWNRLTA-BETUJISGSA-N 2 2 255.406 0.779 20 0 CCADLP CCC[C@H]([NH2+]C(C)C)C(=O)N=c1ccn(CC[NH+](C)C)[nH]1 ZINC000352795457 249006635 /nfs/dbraw/zinc/00/66/35/249006635.db2.gz JXXWBPIZHLZTOY-ZDUSSCGKSA-N 2 2 295.431 0.972 20 0 CCADLP C[C@@H](C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000462878490 249080987 /nfs/dbraw/zinc/08/09/87/249080987.db2.gz NHERYLNEYHFKSD-FPMFFAJLSA-N 2 2 281.400 0.211 20 0 CCADLP Cc1ccsc1CCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000515047619 249117184 /nfs/dbraw/zinc/11/71/84/249117184.db2.gz LJQXOVVPRBFJPP-GFCCVEGCSA-N 2 2 296.440 0.883 20 0 CCADLP Cc1ccsc1CCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000515047619 249117186 /nfs/dbraw/zinc/11/71/86/249117186.db2.gz LJQXOVVPRBFJPP-GFCCVEGCSA-N 2 2 296.440 0.883 20 0 CCADLP Cc1ccc(CCNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])o1 ZINC000515220770 249124363 /nfs/dbraw/zinc/12/43/63/249124363.db2.gz ALXWJBLJHVTHQJ-LBPRGKRZSA-N 2 2 280.372 0.415 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@H](O)CCc1ccccc1 ZINC000514598187 249092201 /nfs/dbraw/zinc/09/22/01/249092201.db2.gz GXPCGAVLVPZIMO-IAGOWNOFSA-N 2 2 291.439 0.816 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@H](O)CCc1ccccc1 ZINC000514598187 249092202 /nfs/dbraw/zinc/09/22/02/249092202.db2.gz GXPCGAVLVPZIMO-IAGOWNOFSA-N 2 2 291.439 0.816 20 0 CCADLP C[C@@](O)(C[NH2+]C[C@@H]1CCCC[N@H+]1CCO)C(F)(F)F ZINC000514673449 249097638 /nfs/dbraw/zinc/09/76/38/249097638.db2.gz LALYAAJKRXCQOH-WDEREUQCSA-N 2 2 284.322 0.736 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCc2ccc(F)c(F)c2)[C@@H](C[NH3+])C1 ZINC000515618958 249139426 /nfs/dbraw/zinc/13/94/26/249139426.db2.gz AFMWCXYLYCKPEA-NSHDSACASA-N 2 2 298.337 0.749 20 0 CCADLP C[N@H+]1CCN(C(=O)NCc2ccc(F)c(F)c2)[C@@H](C[NH3+])C1 ZINC000515618958 249139428 /nfs/dbraw/zinc/13/94/28/249139428.db2.gz AFMWCXYLYCKPEA-NSHDSACASA-N 2 2 298.337 0.749 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCCC(=O)NC(N)=O)C1 ZINC000517958029 249237473 /nfs/dbraw/zinc/23/74/73/249237473.db2.gz YZVVVTYBQBVCMQ-JTQLQIEISA-N 2 2 279.344 0.185 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCCC(=O)NC(N)=O)C1 ZINC000517958029 249237475 /nfs/dbraw/zinc/23/74/75/249237475.db2.gz YZVVVTYBQBVCMQ-JTQLQIEISA-N 2 2 279.344 0.185 20 0 CCADLP C[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)CC(=O)N1C ZINC000517244018 249211132 /nfs/dbraw/zinc/21/11/32/249211132.db2.gz YYDRPDCFUMGKSU-LLVKDONJSA-N 2 2 250.346 0.515 20 0 CCADLP C[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)CC(=O)N1C ZINC000517244018 249211134 /nfs/dbraw/zinc/21/11/34/249211134.db2.gz YYDRPDCFUMGKSU-LLVKDONJSA-N 2 2 250.346 0.515 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@@H+]1CCO[C@H](C)C1)[NH+](C)C ZINC000518926657 249264140 /nfs/dbraw/zinc/26/41/40/249264140.db2.gz IUHUJDZNESETDN-CHWSQXEVSA-N 2 2 271.405 0.410 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@H+]1CCO[C@H](C)C1)[NH+](C)C ZINC000518926657 249264144 /nfs/dbraw/zinc/26/41/44/249264144.db2.gz IUHUJDZNESETDN-CHWSQXEVSA-N 2 2 271.405 0.410 20 0 CCADLP C[C@@H]1C[NH2+][C@@H](C)CN1c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000643023150 377691461 /nfs/dbraw/zinc/69/14/61/377691461.db2.gz XHBZUWJRJBMFPV-VHSXEESVSA-N 2 2 273.344 0.261 20 0 CCADLP Nc1[nH+]cnc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1Cl ZINC000643034190 377699063 /nfs/dbraw/zinc/69/90/63/377699063.db2.gz VGIWSNLJJVUZBY-JGVFFNPUSA-N 2 2 253.737 0.900 20 0 CCADLP Cc1cc(NC(=O)CC[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)no1 ZINC000643066135 377710687 /nfs/dbraw/zinc/71/06/87/377710687.db2.gz KSWYHCKQZPBHGE-RYUDHWBXSA-N 2 2 278.356 0.417 20 0 CCADLP Cc1cc(NC(=O)CC[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)no1 ZINC000643066135 377710696 /nfs/dbraw/zinc/71/06/96/377710696.db2.gz KSWYHCKQZPBHGE-RYUDHWBXSA-N 2 2 278.356 0.417 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@H](CO)c1ccc(F)cc1)C1CC1 ZINC000289460145 197357452 /nfs/dbraw/zinc/35/74/52/197357452.db2.gz GEPFAJWHIXZBAL-LSDHHAIUSA-N 2 2 282.359 0.904 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H](CO)c1ccc(F)cc1)C1CC1 ZINC000289460145 197357454 /nfs/dbraw/zinc/35/74/54/197357454.db2.gz GEPFAJWHIXZBAL-LSDHHAIUSA-N 2 2 282.359 0.904 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccnn1C ZINC000278752966 194138794 /nfs/dbraw/zinc/13/87/94/194138794.db2.gz NXXAPXCTBLSSHN-YPMHNXCESA-N 2 2 279.388 0.411 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccnn1C ZINC000278752966 194138795 /nfs/dbraw/zinc/13/87/95/194138795.db2.gz NXXAPXCTBLSSHN-YPMHNXCESA-N 2 2 279.388 0.411 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000570055399 291730351 /nfs/dbraw/zinc/73/03/51/291730351.db2.gz PPUXFZCXLXEDLP-UHFFFAOYSA-N 3 2 260.345 0.737 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000334761114 207031549 /nfs/dbraw/zinc/03/15/49/207031549.db2.gz INXBBWVQGGMAJS-NSHDSACASA-N 2 2 262.357 0.654 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000574756859 335045180 /nfs/dbraw/zinc/04/51/80/335045180.db2.gz FNLLNLMDNQYVBD-MCIONIFRSA-N 2 2 253.390 0.248 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000574756859 335045181 /nfs/dbraw/zinc/04/51/81/335045181.db2.gz FNLLNLMDNQYVBD-MCIONIFRSA-N 2 2 253.390 0.248 20 0 CCADLP O[C@@H](C[NH2+]Cc1ccnn1CC1CC1)C[NH+]1CCCC1 ZINC000657325815 412962118 /nfs/dbraw/zinc/96/21/18/412962118.db2.gz LOZJMPKZKAVRNU-HNNXBMFYSA-N 2 2 278.400 0.839 20 0 CCADLP Cc1c[nH]c(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC000657349907 412963592 /nfs/dbraw/zinc/96/35/92/412963592.db2.gz OKLFYDCZPKXXCZ-GFCCVEGCSA-N 2 2 279.388 0.395 20 0 CCADLP Cc1c[nH]c(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC000657349907 412963597 /nfs/dbraw/zinc/96/35/97/412963597.db2.gz OKLFYDCZPKXXCZ-GFCCVEGCSA-N 2 2 279.388 0.395 20 0 CCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C[NH2+]C1CC1 ZINC000237665446 284975036 /nfs/dbraw/zinc/97/50/36/284975036.db2.gz WMEQQRIJPCYJKD-UHFFFAOYSA-N 2 2 290.367 0.917 20 0 CCADLP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1nnnn1CC1CC1 ZINC000571394948 291810818 /nfs/dbraw/zinc/81/08/18/291810818.db2.gz GNZVWUHBNJTBEI-GHMZBOCLSA-N 2 2 250.350 0.300 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359215746 296339519 /nfs/dbraw/zinc/33/95/19/296339519.db2.gz ITGIUFXIJRTHIS-OAHLLOKOSA-N 3 2 294.443 0.272 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359215746 296339520 /nfs/dbraw/zinc/33/95/20/296339520.db2.gz ITGIUFXIJRTHIS-OAHLLOKOSA-N 3 2 294.443 0.272 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CC[C@H](C)O)CC1 ZINC000247255304 285046214 /nfs/dbraw/zinc/04/62/14/285046214.db2.gz FCHNKVXJPMIKLL-STQMWFEESA-N 2 2 271.405 0.242 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CC[C@H](C)O)CC1 ZINC000247255304 285046215 /nfs/dbraw/zinc/04/62/15/285046215.db2.gz FCHNKVXJPMIKLL-STQMWFEESA-N 2 2 271.405 0.242 20 0 CCADLP [NH3+]C[C@@H]1CCCN1c1cc(N2CCSCC2)[nH+]cn1 ZINC000571778116 291837249 /nfs/dbraw/zinc/83/72/49/291837249.db2.gz SQWSZGCMXOPYRZ-NSHDSACASA-N 2 2 279.413 0.957 20 0 CCADLP O[C@@H](C[NH2+]Cc1c[nH+]c2n1CCC2)C1CCOCC1 ZINC000657368328 412975778 /nfs/dbraw/zinc/97/57/78/412975778.db2.gz OKZTXGFYDBBJBO-ZDUSSCGKSA-N 2 2 265.357 0.706 20 0 CCADLP C[NH+](C)C1CCN(CC[NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657387790 412977759 /nfs/dbraw/zinc/97/77/59/412977759.db2.gz ZZLGNBGAEIUOAU-UHFFFAOYSA-N 3 2 291.443 0.945 20 0 CCADLP CC[N@H+](C[C@H]1CCC[NH2+]C1)[C@H](C)CS(C)(=O)=O ZINC000346992758 285083218 /nfs/dbraw/zinc/08/32/18/285083218.db2.gz TXUJVJBQGIMDMA-NEPJUHHUSA-N 2 2 262.419 0.741 20 0 CCADLP CC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@H](C)CS(C)(=O)=O ZINC000346992758 285083220 /nfs/dbraw/zinc/08/32/20/285083220.db2.gz TXUJVJBQGIMDMA-NEPJUHHUSA-N 2 2 262.419 0.741 20 0 CCADLP [NH3+][C@H](C(=O)N[C@H]1CC[NH2+]C1)c1c(F)cccc1F ZINC000335402046 208375656 /nfs/dbraw/zinc/37/56/56/208375656.db2.gz YGAMGOMNWQMSEY-CPCISQLKSA-N 2 2 255.268 0.443 20 0 CCADLP Cn1ncc(C2CC2)c1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000657415621 412984493 /nfs/dbraw/zinc/98/44/93/412984493.db2.gz NARJFIPUVXZXPI-CQSZACIVSA-N 2 2 266.389 0.700 20 0 CCADLP COc1ccnc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)n1 ZINC000424376684 533055717 /nfs/dbraw/zinc/05/57/17/533055717.db2.gz LSNYTOSNZBDUBB-UPJWGTAASA-N 2 2 292.383 0.732 20 0 CCADLP CC(C)[NH2+]CCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000572291335 291870400 /nfs/dbraw/zinc/87/04/00/291870400.db2.gz JJXOVSYDLYYQKX-UHFFFAOYSA-N 3 2 284.448 0.517 20 0 CCADLP [NH3+][C@H](C(=O)N[C@H]1C[NH2+]CCC1(F)F)c1cscn1 ZINC000572284036 291869628 /nfs/dbraw/zinc/86/96/28/291869628.db2.gz OMUJZOHECCSFIF-YUMQZZPRSA-N 2 2 276.312 0.256 20 0 CCADLP CC[N@H+](CCO)CCNCc1ccnn1-c1cc[nH+]cc1 ZINC000657438633 412994131 /nfs/dbraw/zinc/99/41/31/412994131.db2.gz SDUJKRXJDQLVMX-UHFFFAOYSA-N 2 2 289.383 0.671 20 0 CCADLP CC[N@@H+](CCO)CCNCc1ccnn1-c1cc[nH+]cc1 ZINC000657438633 412994137 /nfs/dbraw/zinc/99/41/37/412994137.db2.gz SDUJKRXJDQLVMX-UHFFFAOYSA-N 2 2 289.383 0.671 20 0 CCADLP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)cc1OC ZINC000258861957 285152934 /nfs/dbraw/zinc/15/29/34/285152934.db2.gz HAJDRUYCNRNOEB-LBPRGKRZSA-N 2 2 266.341 0.782 20 0 CCADLP C[C@H](CNC(=O)CC1(C[NH3+])CC1)Cn1cc[nH+]c1 ZINC000572408627 291877956 /nfs/dbraw/zinc/87/79/56/291877956.db2.gz FSVKXCHVPHYKMR-LLVKDONJSA-N 2 2 250.346 0.764 20 0 CCADLP CS(=O)(=O)C1(C[NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657457273 412996803 /nfs/dbraw/zinc/99/68/03/412996803.db2.gz SVIRNQJOAVOUEZ-UHFFFAOYSA-N 2 2 269.370 0.496 20 0 CCADLP COc1cncc(/C=C\C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000493090058 533122578 /nfs/dbraw/zinc/12/25/78/533122578.db2.gz FBFFAJIIIACUEE-DHCBQETCSA-N 2 2 290.367 0.205 20 0 CCADLP COc1cncc(/C=C\C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000493090058 533122580 /nfs/dbraw/zinc/12/25/80/533122580.db2.gz FBFFAJIIIACUEE-DHCBQETCSA-N 2 2 290.367 0.205 20 0 CCADLP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)CO1 ZINC000657480766 413002851 /nfs/dbraw/zinc/00/28/51/413002851.db2.gz VPMCVPOVHKOSGK-MGPQQGTHSA-N 2 2 256.390 0.990 20 0 CCADLP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)CO1 ZINC000657480766 413002854 /nfs/dbraw/zinc/00/28/54/413002854.db2.gz VPMCVPOVHKOSGK-MGPQQGTHSA-N 2 2 256.390 0.990 20 0 CCADLP CCNC(=O)C(C)(C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657488740 413006878 /nfs/dbraw/zinc/00/68/78/413006878.db2.gz GWANUASCOSZBAO-UHFFFAOYSA-N 2 2 250.346 0.834 20 0 CCADLP CC(C)NC(=O)[C@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657496099 413008671 /nfs/dbraw/zinc/00/86/71/413008671.db2.gz MCWOQIYZVWDEKN-JTQLQIEISA-N 2 2 250.346 0.832 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C1CCN(C(N)=O)CC1 ZINC000657525582 413020150 /nfs/dbraw/zinc/02/01/50/413020150.db2.gz STOKGIHMGNDFIW-LBPRGKRZSA-N 2 2 268.405 0.992 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C1CCN(C(N)=O)CC1 ZINC000657525582 413020156 /nfs/dbraw/zinc/02/01/56/413020156.db2.gz STOKGIHMGNDFIW-LBPRGKRZSA-N 2 2 268.405 0.992 20 0 CCADLP COCC[N@@H+]1CC[C@H]([NH2+]CC[C@H](COC)OC)C1 ZINC000657552386 413021876 /nfs/dbraw/zinc/02/18/76/413021876.db2.gz CZHJXYVAOYTUSE-QWHCGFSZSA-N 2 2 260.378 0.348 20 0 CCADLP COCC[N@H+]1CC[C@H]([NH2+]CC[C@H](COC)OC)C1 ZINC000657552386 413021885 /nfs/dbraw/zinc/02/18/85/413021885.db2.gz CZHJXYVAOYTUSE-QWHCGFSZSA-N 2 2 260.378 0.348 20 0 CCADLP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000657573919 413025199 /nfs/dbraw/zinc/02/51/99/413025199.db2.gz PRQCXWRWZFPENO-SOUVJXGZSA-N 3 2 270.465 0.798 20 0 CCADLP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000657573919 413025200 /nfs/dbraw/zinc/02/52/00/413025200.db2.gz PRQCXWRWZFPENO-SOUVJXGZSA-N 3 2 270.465 0.798 20 0 CCADLP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CN(C)C(=O)O2)C1 ZINC000496160797 285264789 /nfs/dbraw/zinc/26/47/89/285264789.db2.gz WEVBOIROUQAZPZ-RYUDHWBXSA-N 2 2 255.362 0.711 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CN(C)C(=O)O2)C1 ZINC000496160797 285264791 /nfs/dbraw/zinc/26/47/91/285264791.db2.gz WEVBOIROUQAZPZ-RYUDHWBXSA-N 2 2 255.362 0.711 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CN(C)C(=O)O2)C1 ZINC000496160797 285264792 /nfs/dbraw/zinc/26/47/92/285264792.db2.gz WEVBOIROUQAZPZ-RYUDHWBXSA-N 2 2 255.362 0.711 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CN(C)C(=O)O2)C1 ZINC000496160797 285264795 /nfs/dbraw/zinc/26/47/95/285264795.db2.gz WEVBOIROUQAZPZ-RYUDHWBXSA-N 2 2 255.362 0.711 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1CNc1nc[nH+]c(N)c1OC ZINC000520838359 285277133 /nfs/dbraw/zinc/27/71/33/285277133.db2.gz YOIGFZBDJRYWEQ-JTQLQIEISA-N 2 2 265.361 0.776 20 0 CCADLP CC[N@H+]1CCCC[C@H]1CNc1nc[nH+]c(N)c1OC ZINC000520838359 285277136 /nfs/dbraw/zinc/27/71/36/285277136.db2.gz YOIGFZBDJRYWEQ-JTQLQIEISA-N 2 2 265.361 0.776 20 0 CCADLP CS(=O)(=O)CC1(C[N@@H+]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000575046881 335058763 /nfs/dbraw/zinc/05/87/63/335058763.db2.gz QOZBIESCFWHHHJ-NSHDSACASA-N 2 2 260.403 0.482 20 0 CCADLP CS(=O)(=O)CC1(C[N@H+]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000575046881 335058765 /nfs/dbraw/zinc/05/87/65/335058765.db2.gz QOZBIESCFWHHHJ-NSHDSACASA-N 2 2 260.403 0.482 20 0 CCADLP CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000657607621 413036724 /nfs/dbraw/zinc/03/67/24/413036724.db2.gz ZUKHGHCKZPPXER-YPMHNXCESA-N 2 2 299.396 0.049 20 0 CCADLP C[C@@H](C[NH3+])C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000285807044 388799751 /nfs/dbraw/zinc/79/97/51/388799751.db2.gz RDGCOQUHDGRDNR-LBPRGKRZSA-N 2 2 277.368 0.631 20 0 CCADLP Cn1nccc1[C@H]1[C@H]([NH2+]C2CC[NH+](C)CC2)CC(=O)N1C ZINC000284728633 388783704 /nfs/dbraw/zinc/78/37/04/388783704.db2.gz CIHPTUFYNXIHFK-IUODEOHRSA-N 2 2 291.399 0.376 20 0 CCADLP C[C@H]1CN(Cc2c[nH+]c3ccccn23)CC[N@@H+]1CCO ZINC000187685801 388891972 /nfs/dbraw/zinc/89/19/72/388891972.db2.gz MRHSYDQVSYOFRX-ZDUSSCGKSA-N 2 2 274.368 0.833 20 0 CCADLP C[C@H]1CN(Cc2c[nH+]c3ccccn23)CC[N@H+]1CCO ZINC000187685801 388891975 /nfs/dbraw/zinc/89/19/75/388891975.db2.gz MRHSYDQVSYOFRX-ZDUSSCGKSA-N 2 2 274.368 0.833 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000292438969 388949347 /nfs/dbraw/zinc/94/93/47/388949347.db2.gz VOWRUPJQLPUYGF-AAEUAGOBSA-N 2 2 277.372 0.656 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000292438969 388949348 /nfs/dbraw/zinc/94/93/48/388949348.db2.gz VOWRUPJQLPUYGF-AAEUAGOBSA-N 2 2 277.372 0.656 20 0 CCADLP Cn1ncc2c1nc(N1CC[C@@]3(CC[N@H+](C)C3)C1)[nH+]c2N ZINC000292417141 388949540 /nfs/dbraw/zinc/94/95/40/388949540.db2.gz WFNFFOYSOXCTEL-CQSZACIVSA-N 2 2 287.371 0.478 20 0 CCADLP Cn1ncc2c1nc(N1CC[C@@]3(CC[N@@H+](C)C3)C1)[nH+]c2N ZINC000292417141 388949545 /nfs/dbraw/zinc/94/95/45/388949545.db2.gz WFNFFOYSOXCTEL-CQSZACIVSA-N 2 2 287.371 0.478 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000190151376 388984175 /nfs/dbraw/zinc/98/41/75/388984175.db2.gz ZZSJKAGZJILTFL-GFCCVEGCSA-N 2 2 269.389 0.213 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000190151376 388984178 /nfs/dbraw/zinc/98/41/78/388984178.db2.gz ZZSJKAGZJILTFL-GFCCVEGCSA-N 2 2 269.389 0.213 20 0 CCADLP CCN1CCC[C@@H]1C[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000092629274 389030957 /nfs/dbraw/zinc/03/09/57/389030957.db2.gz ZJOPRVLOTIZMCN-CQSZACIVSA-N 2 2 282.432 0.224 20 0 CCADLP CCN1CCC[C@@H]1C[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000092629274 389030962 /nfs/dbraw/zinc/03/09/62/389030962.db2.gz ZJOPRVLOTIZMCN-CQSZACIVSA-N 2 2 282.432 0.224 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000084696365 389005222 /nfs/dbraw/zinc/00/52/22/389005222.db2.gz PWPSEVTTXWNMNX-CYBMUJFWSA-N 2 2 271.405 0.413 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000084696365 389005223 /nfs/dbraw/zinc/00/52/23/389005223.db2.gz PWPSEVTTXWNMNX-CYBMUJFWSA-N 2 2 271.405 0.413 20 0 CCADLP CCOCCNC(=O)C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000084696365 389005224 /nfs/dbraw/zinc/00/52/24/389005224.db2.gz PWPSEVTTXWNMNX-CYBMUJFWSA-N 2 2 271.405 0.413 20 0 CCADLP CCOCCNC(=O)C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000084696365 389005225 /nfs/dbraw/zinc/00/52/25/389005225.db2.gz PWPSEVTTXWNMNX-CYBMUJFWSA-N 2 2 271.405 0.413 20 0 CCADLP C[C@@H](O)CNc1cc(N(C)CC[N@H+](C)C2CC2)nc[nH+]1 ZINC000298495909 389025200 /nfs/dbraw/zinc/02/52/00/389025200.db2.gz AOGPEMAAKCZYRD-LLVKDONJSA-N 2 2 279.388 0.800 20 0 CCADLP C[C@@H](O)CNc1cc(N(C)CC[N@@H+](C)C2CC2)nc[nH+]1 ZINC000298495909 389025203 /nfs/dbraw/zinc/02/52/03/389025203.db2.gz AOGPEMAAKCZYRD-LLVKDONJSA-N 2 2 279.388 0.800 20 0 CCADLP CC(C)CN(CC[NH+](C)C)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000355300320 389057040 /nfs/dbraw/zinc/05/70/40/389057040.db2.gz BRCQSTWDQCVRIB-AWEZNQCLSA-N 2 2 285.432 0.753 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000355309662 389058237 /nfs/dbraw/zinc/05/82/37/389058237.db2.gz ZPFLWNJBINXTMC-CYBMUJFWSA-N 2 2 294.399 0.695 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000355309662 389058239 /nfs/dbraw/zinc/05/82/39/389058239.db2.gz ZPFLWNJBINXTMC-CYBMUJFWSA-N 2 2 294.399 0.695 20 0 CCADLP C[NH+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000193557293 389073093 /nfs/dbraw/zinc/07/30/93/389073093.db2.gz USJLTYZEZVSQSF-HNNXBMFYSA-N 2 2 291.395 0.738 20 0 CCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000355404299 389073595 /nfs/dbraw/zinc/07/35/95/389073595.db2.gz RPQLIAWRDLXRQL-STQMWFEESA-N 2 2 284.404 0.053 20 0 CCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000355404299 389073599 /nfs/dbraw/zinc/07/35/99/389073599.db2.gz RPQLIAWRDLXRQL-STQMWFEESA-N 2 2 284.404 0.053 20 0 CCADLP C[C@H]1CC[NH+](C)CCN1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000355404299 389073600 /nfs/dbraw/zinc/07/36/00/389073600.db2.gz RPQLIAWRDLXRQL-STQMWFEESA-N 2 2 284.404 0.053 20 0 CCADLP C[C@H]1CC[NH+](C)CCN1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000355404299 389073603 /nfs/dbraw/zinc/07/36/03/389073603.db2.gz RPQLIAWRDLXRQL-STQMWFEESA-N 2 2 284.404 0.053 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000355473223 389081945 /nfs/dbraw/zinc/08/19/45/389081945.db2.gz GBHCMXIWGZHWHG-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP Cn1ncc2c1nc[nH+]c2NCCCC[NH+]1CCOCC1 ZINC000194009390 389085941 /nfs/dbraw/zinc/08/59/41/389085941.db2.gz SEQMMALVZPQIHH-UHFFFAOYSA-N 2 2 290.371 0.888 20 0 CCADLP O[C@@H]1CCCC[C@H]1[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000305700875 389087279 /nfs/dbraw/zinc/08/72/79/389087279.db2.gz WGFGFXSASJIVFO-RRFJBIMHSA-N 2 2 268.401 0.944 20 0 CCADLP O[C@@H]1CCCC[C@H]1[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000305700875 389087282 /nfs/dbraw/zinc/08/72/82/389087282.db2.gz WGFGFXSASJIVFO-RRFJBIMHSA-N 2 2 268.401 0.944 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]C[C@H]2CCCN2S(C)(=O)=O)[C@@H](C)C1 ZINC000338213031 389091461 /nfs/dbraw/zinc/09/14/61/389091461.db2.gz KNABWUQMASVHBJ-XQQFMLRXSA-N 2 2 289.445 0.340 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]C[C@H]2CCCN2S(C)(=O)=O)[C@@H](C)C1 ZINC000338213031 389091463 /nfs/dbraw/zinc/09/14/63/389091463.db2.gz KNABWUQMASVHBJ-XQQFMLRXSA-N 2 2 289.445 0.340 20 0 CCADLP C[C@@H]1C[NH+](CC(=O)N2CC[NH+](C)CC2)C[C@@H](C)S1 ZINC000121150629 389146256 /nfs/dbraw/zinc/14/62/56/389146256.db2.gz JDLRLAOXDDFYKX-VXGBXAGGSA-N 2 2 271.430 0.586 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000106912948 389095429 /nfs/dbraw/zinc/09/54/29/389095429.db2.gz IVXDFZJLGMDMCK-VXGBXAGGSA-N 2 2 257.378 0.019 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000106912948 389095431 /nfs/dbraw/zinc/09/54/31/389095431.db2.gz IVXDFZJLGMDMCK-VXGBXAGGSA-N 2 2 257.378 0.019 20 0 CCADLP COc1ccnc(C[N@H+](C)CCOCC[NH3+])c1OC ZINC000311649330 389104355 /nfs/dbraw/zinc/10/43/55/389104355.db2.gz SMTIWDBVDNCKKL-UHFFFAOYSA-N 2 2 269.345 0.506 20 0 CCADLP COc1ccnc(C[N@@H+](C)CCOCC[NH3+])c1OC ZINC000311649330 389104356 /nfs/dbraw/zinc/10/43/56/389104356.db2.gz SMTIWDBVDNCKKL-UHFFFAOYSA-N 2 2 269.345 0.506 20 0 CCADLP CC[C@H](C)[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C(=O)OC ZINC000338288651 389106575 /nfs/dbraw/zinc/10/65/75/389106575.db2.gz MEAHCDJWFTWTPT-GXTWGEPZSA-N 2 2 299.415 0.328 20 0 CCADLP C[C@@H]([NH2+]Cc1c[nH+]cn1C)C(=O)NCc1ccco1 ZINC000111399051 389106893 /nfs/dbraw/zinc/10/68/93/389106893.db2.gz FRTWXVFOOGCOIA-SNVBAGLBSA-N 2 2 262.313 0.808 20 0 CCADLP CC[C@@H](C)[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C(=O)OC ZINC000338288654 389106948 /nfs/dbraw/zinc/10/69/48/389106948.db2.gz MEAHCDJWFTWTPT-TZMCWYRMSA-N 2 2 299.415 0.328 20 0 CCADLP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313393236 389114152 /nfs/dbraw/zinc/11/41/52/389114152.db2.gz OAGRBZSYQVCTRV-RWMBFGLXSA-N 2 2 271.405 0.729 20 0 CCADLP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313393236 389114154 /nfs/dbraw/zinc/11/41/54/389114154.db2.gz OAGRBZSYQVCTRV-RWMBFGLXSA-N 2 2 271.405 0.729 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2COc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000226992878 389148639 /nfs/dbraw/zinc/14/86/39/389148639.db2.gz HTTZBXOJNWAIEZ-UONOGXRCSA-N 2 2 289.379 0.339 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2COc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000226992878 389148640 /nfs/dbraw/zinc/14/86/40/389148640.db2.gz HTTZBXOJNWAIEZ-UONOGXRCSA-N 2 2 289.379 0.339 20 0 CCADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1COCC[NH+]1CC ZINC000356606274 389126486 /nfs/dbraw/zinc/12/64/86/389126486.db2.gz VWYAOHLRVOMIQK-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1COCC[NH+]1CC ZINC000356606274 389126490 /nfs/dbraw/zinc/12/64/90/389126490.db2.gz VWYAOHLRVOMIQK-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1COCC[N@@H+]1CC ZINC000356606274 389126493 /nfs/dbraw/zinc/12/64/93/389126493.db2.gz VWYAOHLRVOMIQK-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1COCC[N@H+]1CC ZINC000356606274 389126496 /nfs/dbraw/zinc/12/64/96/389126496.db2.gz VWYAOHLRVOMIQK-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP C[C@@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000356781869 389128453 /nfs/dbraw/zinc/12/84/53/389128453.db2.gz POALCOOGEWSELY-HZSPNIEDSA-N 2 2 281.400 0.402 20 0 CCADLP C[C@@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000356781869 389128456 /nfs/dbraw/zinc/12/84/56/389128456.db2.gz POALCOOGEWSELY-HZSPNIEDSA-N 2 2 281.400 0.402 20 0 CCADLP COC[C@@H]([NH3+])C(=O)N[C@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000357238685 389132524 /nfs/dbraw/zinc/13/25/24/389132524.db2.gz HIJYHQAVQVRXEC-CHWSQXEVSA-N 2 2 299.415 0.110 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000358386003 389149510 /nfs/dbraw/zinc/14/95/10/389149510.db2.gz SBCBFKAIYAOEHH-DMDPSCGWSA-N 2 2 251.374 0.680 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000358386003 389149512 /nfs/dbraw/zinc/14/95/12/389149512.db2.gz SBCBFKAIYAOEHH-DMDPSCGWSA-N 2 2 251.374 0.680 20 0 CCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2c[nH+]cn2C)C1 ZINC000360288575 389195277 /nfs/dbraw/zinc/19/52/77/389195277.db2.gz CEVPNXARSKAUFL-LBPRGKRZSA-N 2 2 279.388 0.903 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2c[nH+]cn2C)C1 ZINC000360288575 389195280 /nfs/dbraw/zinc/19/52/80/389195280.db2.gz CEVPNXARSKAUFL-LBPRGKRZSA-N 2 2 279.388 0.903 20 0 CCADLP C[N@@H+](CC(=O)NC1CC1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000227800396 389152427 /nfs/dbraw/zinc/15/24/27/389152427.db2.gz PEEQCIKVQKWPOX-GJZGRUSLSA-N 2 2 291.395 0.128 20 0 CCADLP C[N@H+](CC(=O)NC1CC1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000227800396 389152429 /nfs/dbraw/zinc/15/24/29/389152429.db2.gz PEEQCIKVQKWPOX-GJZGRUSLSA-N 2 2 291.395 0.128 20 0 CCADLP CC[C@@H](C)[NH+]1CCN(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000242837627 389203933 /nfs/dbraw/zinc/20/39/33/389203933.db2.gz FUBZKZWYODSFHN-CQSZACIVSA-N 2 2 298.431 0.444 20 0 CCADLP COCC[NH+]1CCC([NH2+]Cc2cnc(C)nc2)CC1 ZINC000340431881 389157141 /nfs/dbraw/zinc/15/71/41/389157141.db2.gz KTJGCYSFMURICM-UHFFFAOYSA-N 2 2 264.373 0.985 20 0 CCADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1cncn1C ZINC000124214993 389159863 /nfs/dbraw/zinc/15/98/63/389159863.db2.gz AOBPICQOJSIPSJ-LBPRGKRZSA-N 2 2 252.362 0.621 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000359030360 389165330 /nfs/dbraw/zinc/16/53/30/389165330.db2.gz NDCKIEQLYQVDFC-WOPDTQHZSA-N 2 2 274.430 0.882 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000359030360 389165332 /nfs/dbraw/zinc/16/53/32/389165332.db2.gz NDCKIEQLYQVDFC-WOPDTQHZSA-N 2 2 274.430 0.882 20 0 CCADLP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000360833132 389204770 /nfs/dbraw/zinc/20/47/70/389204770.db2.gz MEBLIBXHLZZHNE-GMTAPVOTSA-N 2 2 273.327 0.679 20 0 CCADLP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000360833132 389204771 /nfs/dbraw/zinc/20/47/71/389204771.db2.gz MEBLIBXHLZZHNE-GMTAPVOTSA-N 2 2 273.327 0.679 20 0 CCADLP O=S1(=O)CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000251334908 389262737 /nfs/dbraw/zinc/26/27/37/389262737.db2.gz PNCJINGDYNEIGY-AGIUHOORSA-N 2 2 272.414 0.780 20 0 CCADLP O=S1(=O)CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000251334908 389262739 /nfs/dbraw/zinc/26/27/39/389262739.db2.gz PNCJINGDYNEIGY-AGIUHOORSA-N 2 2 272.414 0.780 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC(=O)NC)[C@@H](C)C1 ZINC000245430815 389207451 /nfs/dbraw/zinc/20/74/51/389207451.db2.gz NSVZVWAANYHMJZ-WDEREUQCSA-N 2 2 270.377 0.104 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC(=O)NC)[C@@H](C)C1 ZINC000245430815 389207453 /nfs/dbraw/zinc/20/74/53/389207453.db2.gz NSVZVWAANYHMJZ-WDEREUQCSA-N 2 2 270.377 0.104 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC(=O)NC)[C@@H](C)C1 ZINC000245430815 389207455 /nfs/dbraw/zinc/20/74/55/389207455.db2.gz NSVZVWAANYHMJZ-WDEREUQCSA-N 2 2 270.377 0.104 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC(=O)NC)[C@@H](C)C1 ZINC000245430815 389207457 /nfs/dbraw/zinc/20/74/57/389207457.db2.gz NSVZVWAANYHMJZ-WDEREUQCSA-N 2 2 270.377 0.104 20 0 CCADLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cnn(C)c1 ZINC000361220713 389210130 /nfs/dbraw/zinc/21/01/30/389210130.db2.gz NJKNFKAYPQBZCD-KGLIPLIRSA-N 2 2 293.415 0.801 20 0 CCADLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cnn(C)c1 ZINC000361220713 389210133 /nfs/dbraw/zinc/21/01/33/389210133.db2.gz NJKNFKAYPQBZCD-KGLIPLIRSA-N 2 2 293.415 0.801 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC[NH+]1CCC[C@H]1C(N)=O ZINC000361208652 389210385 /nfs/dbraw/zinc/21/03/85/389210385.db2.gz NMZIIPCTMBBIFK-MCIONIFRSA-N 3 2 282.432 0.256 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC[NH+]1CCC[C@H]1C(N)=O ZINC000361208652 389210389 /nfs/dbraw/zinc/21/03/89/389210389.db2.gz NMZIIPCTMBBIFK-MCIONIFRSA-N 3 2 282.432 0.256 20 0 CCADLP C[C@@H]1C[NH+](C)CC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000361208652 389210393 /nfs/dbraw/zinc/21/03/93/389210393.db2.gz NMZIIPCTMBBIFK-MCIONIFRSA-N 3 2 282.432 0.256 20 0 CCADLP C[C@@H]1C[NH+](C)CC[C@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000361208652 389210397 /nfs/dbraw/zinc/21/03/97/389210397.db2.gz NMZIIPCTMBBIFK-MCIONIFRSA-N 3 2 282.432 0.256 20 0 CCADLP CC(C)[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H]1CCOC1 ZINC000361416684 389215662 /nfs/dbraw/zinc/21/56/62/389215662.db2.gz UGCLHHCHJXDDCC-ZIAGYGMSSA-N 2 2 256.390 0.941 20 0 CCADLP CC(C)[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H]1CCOC1 ZINC000361416684 389215664 /nfs/dbraw/zinc/21/56/64/389215664.db2.gz UGCLHHCHJXDDCC-ZIAGYGMSSA-N 2 2 256.390 0.941 20 0 CCADLP CC(C)[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@@H]1CCOC1 ZINC000361416684 389215668 /nfs/dbraw/zinc/21/56/68/389215668.db2.gz UGCLHHCHJXDDCC-ZIAGYGMSSA-N 2 2 256.390 0.941 20 0 CCADLP CC(C)[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCOC1 ZINC000361416684 389215670 /nfs/dbraw/zinc/21/56/70/389215670.db2.gz UGCLHHCHJXDDCC-ZIAGYGMSSA-N 2 2 256.390 0.941 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3CC3)C2)CC1 ZINC000362712180 389240037 /nfs/dbraw/zinc/24/00/37/389240037.db2.gz VFQSYLWTGVAGIQ-LBPRGKRZSA-N 2 2 251.374 0.681 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3CC3)C2)CC1 ZINC000362712180 389240039 /nfs/dbraw/zinc/24/00/39/389240039.db2.gz VFQSYLWTGVAGIQ-LBPRGKRZSA-N 2 2 251.374 0.681 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)NCc1[nH+]ccn1C ZINC000264211876 389313497 /nfs/dbraw/zinc/31/34/97/389313497.db2.gz RWJZNUWZYNZQSA-UHFFFAOYSA-N 2 2 283.376 0.188 20 0 CCADLP COCC[N@@H+](C)CCCNC(=O)NCc1[nH+]ccn1C ZINC000264211876 389313500 /nfs/dbraw/zinc/31/35/00/389313500.db2.gz RWJZNUWZYNZQSA-UHFFFAOYSA-N 2 2 283.376 0.188 20 0 CCADLP C[C@H](CNC(=O)NCc1[nH+]ccn1C)[N@H+](C)C1CC1 ZINC000264308716 389320419 /nfs/dbraw/zinc/32/04/19/389320419.db2.gz PVIQWJAYTDNVOC-SNVBAGLBSA-N 2 2 265.361 0.702 20 0 CCADLP C[C@H](CNC(=O)NCc1[nH+]ccn1C)[N@@H+](C)C1CC1 ZINC000264308716 389320423 /nfs/dbraw/zinc/32/04/23/389320423.db2.gz PVIQWJAYTDNVOC-SNVBAGLBSA-N 2 2 265.361 0.702 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCC[NH+]1CCCC1 ZINC000264319461 389320823 /nfs/dbraw/zinc/32/08/23/389320823.db2.gz XCCOVWAHIWPHGJ-UHFFFAOYSA-N 2 2 250.346 0.875 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261660903 389273548 /nfs/dbraw/zinc/27/35/48/389273548.db2.gz IGJXTVDUXAJHFV-GXFFZTMASA-N 2 2 270.377 0.280 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261660903 389273552 /nfs/dbraw/zinc/27/35/52/389273552.db2.gz IGJXTVDUXAJHFV-GXFFZTMASA-N 2 2 270.377 0.280 20 0 CCADLP CCOC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343883339 389275135 /nfs/dbraw/zinc/27/51/35/389275135.db2.gz ARNALPUTBSNCQA-SOUVJXGZSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1CC[NH+](CCO)CC1 ZINC000344223089 389280248 /nfs/dbraw/zinc/28/02/48/389280248.db2.gz ZBAUASTXOLMNLZ-OCCSQVGLSA-N 3 2 255.406 0.230 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1CC[NH+](CCO)CC1 ZINC000344223089 389280251 /nfs/dbraw/zinc/28/02/51/389280251.db2.gz ZBAUASTXOLMNLZ-OCCSQVGLSA-N 3 2 255.406 0.230 20 0 CCADLP COCC[N@H+](Cc1ccnn1C)C[C@@]1(C)CC[NH2+]C1 ZINC000262115675 389281271 /nfs/dbraw/zinc/28/12/71/389281271.db2.gz WVYUHRNOJCYTSX-AWEZNQCLSA-N 2 2 266.389 0.868 20 0 CCADLP COCC[N@@H+](Cc1ccnn1C)C[C@@]1(C)CC[NH2+]C1 ZINC000262115675 389281274 /nfs/dbraw/zinc/28/12/74/389281274.db2.gz WVYUHRNOJCYTSX-AWEZNQCLSA-N 2 2 266.389 0.868 20 0 CCADLP C[NH+](C)[C@H]1CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000332988197 389399580 /nfs/dbraw/zinc/39/95/80/389399580.db2.gz BDQOVBZJLGBUMG-RYUDHWBXSA-N 2 2 277.372 0.543 20 0 CCADLP C[NH+](C)C/C=C/C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000264676304 389345177 /nfs/dbraw/zinc/34/51/77/389345177.db2.gz ZXHWWVLOQQISNQ-GQCTYLIASA-N 2 2 288.395 0.844 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]CCCN2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000347723995 389356924 /nfs/dbraw/zinc/35/69/24/389356924.db2.gz PNEJWPARQGVOGW-GJZGRUSLSA-N 3 2 268.449 0.554 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]CCCN2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000347723995 389356927 /nfs/dbraw/zinc/35/69/27/389356927.db2.gz PNEJWPARQGVOGW-GJZGRUSLSA-N 3 2 268.449 0.554 20 0 CCADLP Cc1nc(N2CCC[N@H+](CC(N)=O)CC2)c(C)c(C)[nH+]1 ZINC000373112172 389463950 /nfs/dbraw/zinc/46/39/50/389463950.db2.gz ZEKFUWQKKOUHFR-UHFFFAOYSA-N 2 2 277.372 0.399 20 0 CCADLP Cc1nc(N2CCC[N@@H+](CC(N)=O)CC2)c(C)c(C)[nH+]1 ZINC000373112172 389463954 /nfs/dbraw/zinc/46/39/54/389463954.db2.gz ZEKFUWQKKOUHFR-UHFFFAOYSA-N 2 2 277.372 0.399 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000422749062 389466287 /nfs/dbraw/zinc/46/62/87/389466287.db2.gz XJTIRPRKJCIUHS-AAEUAGOBSA-N 2 2 267.373 0.108 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000422749062 389466295 /nfs/dbraw/zinc/46/62/95/389466295.db2.gz XJTIRPRKJCIUHS-AAEUAGOBSA-N 2 2 267.373 0.108 20 0 CCADLP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H](C)[NH+](C)C)CC[NH2+]CC1 ZINC000422747428 389466943 /nfs/dbraw/zinc/46/69/43/389466943.db2.gz YQFKUGHXQVASCA-OLZOCXBDSA-N 3 2 285.432 0.848 20 0 CCADLP C[C@@H](CC[NH3+])NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000349963012 389469650 /nfs/dbraw/zinc/46/96/50/389469650.db2.gz OAMDGMFHINQYPB-ZDUSSCGKSA-N 2 2 291.395 0.986 20 0 CCADLP CCN(CC)S(=O)(=O)CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422860484 389493965 /nfs/dbraw/zinc/49/39/65/389493965.db2.gz MNUQCVJYRWXQIZ-NEPJUHHUSA-N 2 2 277.434 0.388 20 0 CCADLP C(C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)COC[C@@H]1CCCO1 ZINC000422777216 389472795 /nfs/dbraw/zinc/47/27/95/389472795.db2.gz BRYOKAVQRUZTFG-HRCADAONSA-N 2 2 298.427 0.929 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)NCCn1cc[nH+]c1 ZINC000171151777 389473567 /nfs/dbraw/zinc/47/35/67/389473567.db2.gz LOGHNGREKGTSHE-UHFFFAOYSA-N 2 2 253.350 0.523 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)NCCn1cc[nH+]c1 ZINC000171151777 389473571 /nfs/dbraw/zinc/47/35/71/389473571.db2.gz LOGHNGREKGTSHE-UHFFFAOYSA-N 2 2 253.350 0.523 20 0 CCADLP CCN(CC)S(=O)(=O)CC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422859889 389494251 /nfs/dbraw/zinc/49/42/51/389494251.db2.gz LFGPCNGQWJRLFW-VXGBXAGGSA-N 2 2 277.434 0.246 20 0 CCADLP CC(C)[C@@H](C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)N1CCOCC1 ZINC000422809861 389479482 /nfs/dbraw/zinc/47/94/82/389479482.db2.gz SNDHGMOONOVSON-BZUAXINKSA-N 2 2 299.459 0.700 20 0 CCADLP C(CN1CCCCC1)[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422806358 389479610 /nfs/dbraw/zinc/47/96/10/389479610.db2.gz IBVJXGKAHNFWPZ-CABCVRRESA-N 2 2 267.417 0.829 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C[C@H](C)[NH2+]1 ZINC000422822132 389482587 /nfs/dbraw/zinc/48/25/87/389482587.db2.gz ZYPVJWMNHJETMS-VNHYZAJKSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C[C@H](C)[NH2+]1 ZINC000422822132 389482591 /nfs/dbraw/zinc/48/25/91/389482591.db2.gz ZYPVJWMNHJETMS-VNHYZAJKSA-N 2 2 295.427 0.696 20 0 CCADLP CCCNC(=O)C[NH+]1CCC(N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422844506 389490036 /nfs/dbraw/zinc/49/00/36/389490036.db2.gz LZKZKHYPNYCFES-UKRRQHHQSA-N 2 2 296.459 0.565 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000422847456 389490434 /nfs/dbraw/zinc/49/04/34/389490434.db2.gz IHKDUCWOGNUZJQ-OLZOCXBDSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000422847456 389490439 /nfs/dbraw/zinc/49/04/39/389490439.db2.gz IHKDUCWOGNUZJQ-OLZOCXBDSA-N 2 2 298.431 0.029 20 0 CCADLP CN(C)C(=O)N1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000334437225 389491354 /nfs/dbraw/zinc/49/13/54/389491354.db2.gz HWNWWZOJQXFWFB-ZDUSSCGKSA-N 2 2 254.378 0.285 20 0 CCADLP c1cn(CC[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c[nH+]1 ZINC000163260696 389427674 /nfs/dbraw/zinc/42/76/74/389427674.db2.gz CBEUFFLFOFTDGF-QWHCGFSZSA-N 2 2 251.330 0.763 20 0 CCADLP c1cn(CC[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c[nH+]1 ZINC000163260696 389427677 /nfs/dbraw/zinc/42/76/77/389427677.db2.gz CBEUFFLFOFTDGF-QWHCGFSZSA-N 2 2 251.330 0.763 20 0 CCADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[NH2+]CCO1 ZINC000164379317 389433107 /nfs/dbraw/zinc/43/31/07/389433107.db2.gz RVTXKOYOMQCIQY-ZDUSSCGKSA-N 2 2 272.308 0.799 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000270679658 389433794 /nfs/dbraw/zinc/43/37/94/389433794.db2.gz UJYCWVITXJQGLI-MNOVXSKESA-N 2 2 273.402 0.945 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000270679658 389433797 /nfs/dbraw/zinc/43/37/97/389433797.db2.gz UJYCWVITXJQGLI-MNOVXSKESA-N 2 2 273.402 0.945 20 0 CCADLP C[C@]1(F)C[NH2+]CCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000333926501 389449357 /nfs/dbraw/zinc/44/93/57/389449357.db2.gz VLVRFQMVBHIMOV-AWEZNQCLSA-N 2 2 295.362 0.451 20 0 CCADLP CCN(CC)S(=O)(=O)CC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422856720 389492977 /nfs/dbraw/zinc/49/29/77/389492977.db2.gz FYOLNCTYSAHZOF-GHMZBOCLSA-N 2 2 263.407 0.127 20 0 CCADLP C[C@@H]([NH2+]CCN1CCOC[C@@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000422711256 389456508 /nfs/dbraw/zinc/45/65/08/389456508.db2.gz GUTYHQJPMRRVPL-MJBXVCDLSA-N 2 2 255.406 0.827 20 0 CCADLP CC1CC[NH+](C[C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000422982614 389516981 /nfs/dbraw/zinc/51/69/81/389516981.db2.gz XCJVGOLHVDFHJE-VFSICIBPSA-N 3 2 281.444 0.952 20 0 CCADLP CCc1nn(C)c(OC)c1C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422991567 389518431 /nfs/dbraw/zinc/51/84/31/389518431.db2.gz OUHDIIHYXDHCGP-VXGBXAGGSA-N 2 2 296.415 0.848 20 0 CCADLP COCCNC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423024413 389523445 /nfs/dbraw/zinc/52/34/45/389523445.db2.gz JFWXWURTAOXWJU-IHRRRGAJSA-N 2 2 285.432 0.894 20 0 CCADLP C([NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)[C@@H]1CN(C2CC2)CCO1 ZINC000423023389 389523626 /nfs/dbraw/zinc/52/36/26/389523626.db2.gz HGZAVATUBPSTBB-OWCLPIDISA-N 2 2 295.427 0.206 20 0 CCADLP C([NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)C1(N2CCOCC2)CC1 ZINC000423074562 389530634 /nfs/dbraw/zinc/53/06/34/389530634.db2.gz MBKZDBZJEJJFRO-LSDHHAIUSA-N 2 2 295.427 0.208 20 0 CCADLP COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000423083981 389531907 /nfs/dbraw/zinc/53/19/07/389531907.db2.gz GSDNXRCAHNFCKS-REWJHTLYSA-N 2 2 282.384 0.685 20 0 CCADLP COC[C@H]([NH2+][C@H](C)C[C@H]1COCC[NH2+]1)[C@H]1CCCO1 ZINC000423089769 389533212 /nfs/dbraw/zinc/53/32/12/389533212.db2.gz VWNKLMQDKBWKFD-ZOBORPQBSA-N 2 2 272.389 0.537 20 0 CCADLP C[C@H]([NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000423109712 389536125 /nfs/dbraw/zinc/53/61/25/389536125.db2.gz SXOOMVUTJKVJDF-ZDEQEGDKSA-N 2 2 258.406 0.875 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C ZINC000423113859 389536536 /nfs/dbraw/zinc/53/65/36/389536536.db2.gz ZKIIKXZSHFUFGU-XJFOESAGSA-N 2 2 288.432 0.501 20 0 CCADLP COC(=O)COc1ccccc1[C@H](C)[NH2+]CC[NH3+] ZINC000423177407 389548821 /nfs/dbraw/zinc/54/88/21/389548821.db2.gz DVWFAIAZTQJXLS-JTQLQIEISA-N 2 2 252.314 0.848 20 0 CCADLP C[NH2+]CC[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423222442 389554343 /nfs/dbraw/zinc/55/43/43/389554343.db2.gz AZIUZLGWDUMBSH-LLVKDONJSA-N 2 2 285.413 0.807 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CC[C@H]2CCOC2)CC1 ZINC000176254963 389555011 /nfs/dbraw/zinc/55/50/11/389555011.db2.gz MQWKGEAJICTRSD-AWEZNQCLSA-N 2 2 297.443 0.945 20 0 CCADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000423233604 389555427 /nfs/dbraw/zinc/55/54/27/389555427.db2.gz KFWBKFLWGUARAK-AAEUAGOBSA-N 2 2 297.424 0.997 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374206025 389557990 /nfs/dbraw/zinc/55/79/90/389557990.db2.gz BTWCZGLNQVXRSQ-QMMMGPOBSA-N 2 2 265.317 0.173 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1NCC([NH3+])(CC)CC ZINC000423292608 389559593 /nfs/dbraw/zinc/55/95/93/389559593.db2.gz NKUWSECLTYMFST-MNOVXSKESA-N 2 2 257.378 0.387 20 0 CCADLP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CC([NH3+])(CC)CC ZINC000423292608 389559595 /nfs/dbraw/zinc/55/95/95/389559595.db2.gz NKUWSECLTYMFST-MNOVXSKESA-N 2 2 257.378 0.387 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC(NC(=O)C2CC2)CC1)C1CC1 ZINC000351284040 389571843 /nfs/dbraw/zinc/57/18/43/389571843.db2.gz AUMIOYDGCYZNRP-HNNXBMFYSA-N 2 2 295.427 0.432 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(NC(=O)C2CC2)CC1)C1CC1 ZINC000351284040 389571847 /nfs/dbraw/zinc/57/18/47/389571847.db2.gz AUMIOYDGCYZNRP-HNNXBMFYSA-N 2 2 295.427 0.432 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1NCC[N@H+](C)C(C)C ZINC000422882356 389498314 /nfs/dbraw/zinc/49/83/14/389498314.db2.gz SAGNDQIFJYDUOD-RYUDHWBXSA-N 2 2 257.378 0.210 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1NCC[N@@H+](C)C(C)C ZINC000422882356 389498315 /nfs/dbraw/zinc/49/83/15/389498315.db2.gz SAGNDQIFJYDUOD-RYUDHWBXSA-N 2 2 257.378 0.210 20 0 CCADLP CN(C(=O)[C@@H]1CSC[NH2+]1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000336032858 389621482 /nfs/dbraw/zinc/62/14/82/389621482.db2.gz ZOPUELLGCYJJQD-QWRGUYRKSA-N 2 2 255.387 0.344 20 0 CCADLP CN(C(=O)[C@@H]1CSC[NH2+]1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000336032858 389621484 /nfs/dbraw/zinc/62/14/84/389621484.db2.gz ZOPUELLGCYJJQD-QWRGUYRKSA-N 2 2 255.387 0.344 20 0 CCADLP CCN(CC)C(=O)C[NH+]1CCN(C[C@@H]([NH3+])CC(C)C)CC1 ZINC000414674347 389625650 /nfs/dbraw/zinc/62/56/50/389625650.db2.gz DRBWCEKFDWMKLX-HNNXBMFYSA-N 2 2 298.475 0.846 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCCC[C@]1(C)C(N)=O)C1CC1 ZINC000351596414 389626158 /nfs/dbraw/zinc/62/61/58/389626158.db2.gz SNYOKHQJCQAGFD-TZMCWYRMSA-N 2 2 269.389 0.171 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCC[C@]1(C)C(N)=O)C1CC1 ZINC000351596414 389626163 /nfs/dbraw/zinc/62/61/63/389626163.db2.gz SNYOKHQJCQAGFD-TZMCWYRMSA-N 2 2 269.389 0.171 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCCC[C@]1(C)C(N)=O)C1CC1 ZINC000351596414 389626167 /nfs/dbraw/zinc/62/61/67/389626167.db2.gz SNYOKHQJCQAGFD-TZMCWYRMSA-N 2 2 269.389 0.171 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCCC[C@]1(C)C(N)=O)C1CC1 ZINC000351596414 389626170 /nfs/dbraw/zinc/62/61/70/389626170.db2.gz SNYOKHQJCQAGFD-TZMCWYRMSA-N 2 2 269.389 0.171 20 0 CCADLP COC(=O)[C@H](O)C1CC[NH+](C[C@@H]([NH3+])CC(C)C)CC1 ZINC000414698433 389628521 /nfs/dbraw/zinc/62/85/21/389628521.db2.gz DHLZYLDTAUIVTR-QWHCGFSZSA-N 2 2 272.389 0.606 20 0 CCADLP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[NH+](C)CC2)cc1 ZINC000414699071 389628678 /nfs/dbraw/zinc/62/86/78/389628678.db2.gz DWGDPSTYSXZGCM-LLVKDONJSA-N 2 2 290.367 0.419 20 0 CCADLP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC[NH2+]1 ZINC000414719370 389632194 /nfs/dbraw/zinc/63/21/94/389632194.db2.gz YECVSVOPKGPPIP-ILXRZTDVSA-N 3 2 294.443 0.271 20 0 CCADLP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC[NH2+]1 ZINC000414719370 389632201 /nfs/dbraw/zinc/63/22/01/389632201.db2.gz YECVSVOPKGPPIP-ILXRZTDVSA-N 3 2 294.443 0.271 20 0 CCADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC000179069338 389636151 /nfs/dbraw/zinc/63/61/51/389636151.db2.gz WXACAWRGLBIAGD-CYBMUJFWSA-N 2 2 269.389 0.354 20 0 CCADLP CCOC(=O)Cn1nc(C)c(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)c1C ZINC000414780716 389637599 /nfs/dbraw/zinc/63/75/99/389637599.db2.gz HBNJZGRASMOESY-JSGCOSHPSA-N 2 2 294.399 0.985 20 0 CCADLP CCOC(=O)Cn1nc(C)c(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)c1C ZINC000414780716 389637601 /nfs/dbraw/zinc/63/76/01/389637601.db2.gz HBNJZGRASMOESY-JSGCOSHPSA-N 2 2 294.399 0.985 20 0 CCADLP C[NH2+]CC[NH2+]Cc1ccc(OCC(=O)OC)cc1 ZINC000414830480 389639205 /nfs/dbraw/zinc/63/92/05/389639205.db2.gz OBBLFWCCOFHLGO-UHFFFAOYSA-N 2 2 252.314 0.547 20 0 CCADLP CN1CC[NH2+]C[C@H]1CNCc1[nH+]ccn1Cc1ccccc1 ZINC000414970564 389648846 /nfs/dbraw/zinc/64/88/46/389648846.db2.gz VCUCKZLKNUQYQN-INIZCTEOSA-N 2 2 299.422 0.925 20 0 CCADLP [NH3+]CC1(CC(=O)N2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000423425302 389585056 /nfs/dbraw/zinc/58/50/56/389585056.db2.gz GMCJTYMOZHPCMB-UHFFFAOYSA-N 2 2 288.395 0.855 20 0 CCADLP COC[C@]1(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CCC[NH2+]1 ZINC000423426612 389585304 /nfs/dbraw/zinc/58/53/04/389585304.db2.gz NBBUOEDMYGUXGH-MGPQQGTHSA-N 3 2 255.406 0.685 20 0 CCADLP COC[C@]1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CCC[NH2+]1 ZINC000423426612 389585310 /nfs/dbraw/zinc/58/53/10/389585310.db2.gz NBBUOEDMYGUXGH-MGPQQGTHSA-N 3 2 255.406 0.685 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2C[C@H](C)CC[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000423433752 389586292 /nfs/dbraw/zinc/58/62/92/389586292.db2.gz PMDQYGGGHNTGHO-CBBWQLFWSA-N 2 2 295.427 0.554 20 0 CCADLP CN(CC(F)(F)F)C(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351486816 389589860 /nfs/dbraw/zinc/58/98/60/389589860.db2.gz BGHSELQIHIFQLO-GUBZILKMSA-N 2 2 279.306 0.676 20 0 CCADLP CN(CC(F)(F)F)C(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351486816 389589864 /nfs/dbraw/zinc/58/98/64/389589864.db2.gz BGHSELQIHIFQLO-GUBZILKMSA-N 2 2 279.306 0.676 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@@H](C)C[NH3+] ZINC000423462789 389590727 /nfs/dbraw/zinc/59/07/27/389590727.db2.gz URNLBRCQPNQVOT-NWDGAFQWSA-N 2 2 257.378 0.198 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@@H](C)C[NH3+] ZINC000423462789 389590731 /nfs/dbraw/zinc/59/07/31/389590731.db2.gz URNLBRCQPNQVOT-NWDGAFQWSA-N 2 2 257.378 0.198 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423484622 389593768 /nfs/dbraw/zinc/59/37/68/389593768.db2.gz ABVLDQLLWYTKRV-KLHDSHLOSA-N 3 2 280.460 0.790 20 0 CCADLP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)CO2 ZINC000423507174 389596684 /nfs/dbraw/zinc/59/66/84/389596684.db2.gz HTEGPKRAGKVJHB-UONOGXRCSA-N 2 2 291.395 0.492 20 0 CCADLP [NH3+]CCCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000423513145 389597707 /nfs/dbraw/zinc/59/77/07/389597707.db2.gz VGWFLKYAMYJDFD-CYBMUJFWSA-N 2 2 269.389 0.485 20 0 CCADLP [NH3+]CCCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000423513145 389597711 /nfs/dbraw/zinc/59/77/11/389597711.db2.gz VGWFLKYAMYJDFD-CYBMUJFWSA-N 2 2 269.389 0.485 20 0 CCADLP CC[C@@H](CO)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179281493 389650604 /nfs/dbraw/zinc/65/06/04/389650604.db2.gz SZPFNGRDALCPGK-LBPRGKRZSA-N 2 2 286.420 0.083 20 0 CCADLP Cc1ccc(CCC[NH2+]C[C@@H]2C[NH2+]CCN2C)c[nH+]1 ZINC000414982622 389651184 /nfs/dbraw/zinc/65/11/84/389651184.db2.gz ZKHNIBOFDXJDTC-OAHLLOKOSA-N 3 2 262.401 0.816 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCCN(CC(F)F)CC1)C1CC1 ZINC000351717067 389665936 /nfs/dbraw/zinc/66/59/36/389665936.db2.gz NSMJRKPJBXSFJT-CYBMUJFWSA-N 2 2 291.386 0.714 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCN(CC(F)F)CC1)C1CC1 ZINC000351717067 389665938 /nfs/dbraw/zinc/66/59/38/389665938.db2.gz NSMJRKPJBXSFJT-CYBMUJFWSA-N 2 2 291.386 0.714 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCCN(CC(F)F)CC1)C1CC1 ZINC000351717067 389665940 /nfs/dbraw/zinc/66/59/40/389665940.db2.gz NSMJRKPJBXSFJT-CYBMUJFWSA-N 2 2 291.386 0.714 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCCN(CC(F)F)CC1)C1CC1 ZINC000351717067 389665942 /nfs/dbraw/zinc/66/59/42/389665942.db2.gz NSMJRKPJBXSFJT-CYBMUJFWSA-N 2 2 291.386 0.714 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000415386405 389680526 /nfs/dbraw/zinc/68/05/26/389680526.db2.gz PCKJXCZSGDDZFY-SECBINFHSA-N 2 2 258.272 0.916 20 0 CCADLP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000415500040 389687770 /nfs/dbraw/zinc/68/77/70/389687770.db2.gz RTTYVOFQGLNJAH-LBPRGKRZSA-N 2 2 290.367 0.847 20 0 CCADLP CC(C)[C@@H](C(=O)N[C@H]1CCn2cc[nH+]c2C1)[NH+](C)C ZINC000428356305 389694087 /nfs/dbraw/zinc/69/40/87/389694087.db2.gz UEUKBXOXFLJDMM-AAEUAGOBSA-N 2 2 264.373 0.900 20 0 CCADLP CO[C@H](C[N@H+](C)CC(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000379175623 389760801 /nfs/dbraw/zinc/76/08/01/389760801.db2.gz FHNXPCCLFRFGKC-OAHLLOKOSA-N 2 2 291.395 0.738 20 0 CCADLP CO[C@H](C[N@@H+](C)CC(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000379175623 389760805 /nfs/dbraw/zinc/76/08/05/389760805.db2.gz FHNXPCCLFRFGKC-OAHLLOKOSA-N 2 2 291.395 0.738 20 0 CCADLP CC[N@H+](C[C@H](C)O)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000352194876 389768991 /nfs/dbraw/zinc/76/89/91/389768991.db2.gz MGNWVURUAPZUMK-QWHCGFSZSA-N 2 2 271.405 0.242 20 0 CCADLP CC[N@@H+](C[C@H](C)O)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000352194876 389768992 /nfs/dbraw/zinc/76/89/92/389768992.db2.gz MGNWVURUAPZUMK-QWHCGFSZSA-N 2 2 271.405 0.242 20 0 CCADLP CC(C)(CNC(=O)N1CCC[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000416809187 389772356 /nfs/dbraw/zinc/77/23/56/389772356.db2.gz AHPUOFDSFJXELA-GFCCVEGCSA-N 2 2 284.404 0.230 20 0 CCADLP O[C@@H](C[NH2+]Cc1cnn(CC(F)F)c1)C[NH+]1CCCC1 ZINC000352212374 389772425 /nfs/dbraw/zinc/77/24/25/389772425.db2.gz PGGLWPQHOMQTSB-LBPRGKRZSA-N 2 2 288.342 0.695 20 0 CCADLP [NH3+]CC(F)(F)CNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000416867309 389777323 /nfs/dbraw/zinc/77/73/23/389777323.db2.gz HSBCDMOUGIEQFI-UHFFFAOYSA-N 2 2 283.282 0.728 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000416871278 389777674 /nfs/dbraw/zinc/77/76/74/389777674.db2.gz NNCAXODGQJKWOK-LLVKDONJSA-N 2 2 275.356 0.989 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000416952408 389784251 /nfs/dbraw/zinc/78/42/51/389784251.db2.gz UKLYFDHFOAIDNB-NSHDSACASA-N 2 2 275.356 0.913 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC1([NH3+])CCCCC1 ZINC000417016034 389790653 /nfs/dbraw/zinc/79/06/53/389790653.db2.gz CQLRADNMIAXQAH-ZDUSSCGKSA-N 2 2 298.431 0.668 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000417044320 389791646 /nfs/dbraw/zinc/79/16/46/389791646.db2.gz YIWCEDLRSSSPIZ-UPJWGTAASA-N 2 2 284.404 0.099 20 0 CCADLP CCCC[C@@H](C[NH3+])NC(=O)NCC[NH+]1CCOCC1 ZINC000416433637 389742664 /nfs/dbraw/zinc/74/26/64/389742664.db2.gz QDAHKCQHHIMGOE-LBPRGKRZSA-N 2 2 272.393 0.135 20 0 CCADLP C[C@]1(F)C[NH2+]CCN(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000416438177 389743621 /nfs/dbraw/zinc/74/36/21/389743621.db2.gz NWMGENBIRQYUKT-ZDUSSCGKSA-N 2 2 283.351 0.616 20 0 CCADLP C[C@@](C[NH3+])([NH2+]Cc1cc(=O)n2ccsc2n1)C1CC1 ZINC000430584274 389809869 /nfs/dbraw/zinc/80/98/69/389809869.db2.gz OTHBIDNUDRZGJV-ZDUSSCGKSA-N 2 2 278.381 0.973 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)n(C)n1 ZINC000430600884 389811249 /nfs/dbraw/zinc/81/12/49/389811249.db2.gz ZAHOJQZEIMAXRB-VXGBXAGGSA-N 2 2 279.388 0.726 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)n(C)n1 ZINC000430600884 389811250 /nfs/dbraw/zinc/81/12/50/389811250.db2.gz ZAHOJQZEIMAXRB-VXGBXAGGSA-N 2 2 279.388 0.726 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)N[C@H](C[NH3+])C2CC2)CCO1 ZINC000417422307 389814432 /nfs/dbraw/zinc/81/44/32/389814432.db2.gz KOSMFOKJQZVNEP-GFCCVEGCSA-N 2 2 284.404 0.134 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)N[C@H](C[NH3+])C2CC2)CCO1 ZINC000417422307 389814433 /nfs/dbraw/zinc/81/44/33/389814433.db2.gz KOSMFOKJQZVNEP-GFCCVEGCSA-N 2 2 284.404 0.134 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430654700 389816475 /nfs/dbraw/zinc/81/64/75/389816475.db2.gz QSXXWALWUGDGPO-AWEZNQCLSA-N 2 2 285.432 0.836 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430654700 389816476 /nfs/dbraw/zinc/81/64/76/389816476.db2.gz QSXXWALWUGDGPO-AWEZNQCLSA-N 2 2 285.432 0.836 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@]1(C)CC[NH2+]C1)[NH+]1CCOCC1 ZINC000430717945 389820328 /nfs/dbraw/zinc/82/03/28/389820328.db2.gz ZWCDUQYLDDAPJA-SCRDCRAPSA-N 2 2 269.389 0.211 20 0 CCADLP CC[NH2+]CCNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000417498398 389821735 /nfs/dbraw/zinc/82/17/35/389821735.db2.gz DKLVEDOOJDVLCT-UHFFFAOYSA-N 2 2 272.393 0.006 20 0 CCADLP CC[NH2+]CCNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000417498398 389821737 /nfs/dbraw/zinc/82/17/37/389821737.db2.gz DKLVEDOOJDVLCT-UHFFFAOYSA-N 2 2 272.393 0.006 20 0 CCADLP CCC[NH2+]CCNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000417501508 389821908 /nfs/dbraw/zinc/82/19/08/389821908.db2.gz AATWGCXXEDOXAS-GFCCVEGCSA-N 2 2 272.393 0.006 20 0 CCADLP CCC[NH2+]CCNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000417501508 389821910 /nfs/dbraw/zinc/82/19/10/389821910.db2.gz AATWGCXXEDOXAS-GFCCVEGCSA-N 2 2 272.393 0.006 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000417506761 389822459 /nfs/dbraw/zinc/82/24/59/389822459.db2.gz OFCANVUBOFVKCX-OLZOCXBDSA-N 2 2 298.431 0.524 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000417506761 389822462 /nfs/dbraw/zinc/82/24/62/389822462.db2.gz OFCANVUBOFVKCX-OLZOCXBDSA-N 2 2 298.431 0.524 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000417514749 389824271 /nfs/dbraw/zinc/82/42/71/389824271.db2.gz BUDZHGYERAARJE-JHJVBQTASA-N 2 2 286.420 0.393 20 0 CCADLP C[C@@H]1CCN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)[C@@H](C[NH3+])C1 ZINC000417515977 389824474 /nfs/dbraw/zinc/82/44/74/389824474.db2.gz MJMWFQQOEQWTOX-MGPQQGTHSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H]1CCN(C(=O)NCC[N@H+]2CCOC[C@H]2C)[C@@H](C[NH3+])C1 ZINC000417515977 389824476 /nfs/dbraw/zinc/82/44/76/389824476.db2.gz MJMWFQQOEQWTOX-MGPQQGTHSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@H](NC(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000417520288 389826167 /nfs/dbraw/zinc/82/61/67/389826167.db2.gz NOGQBQJXLVQHBT-ZOBORPQBSA-N 2 2 298.431 0.535 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000417528871 389826977 /nfs/dbraw/zinc/82/69/77/389826977.db2.gz QFBGRXXUWYECJT-UONOGXRCSA-N 2 2 298.431 0.478 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000417528871 389826978 /nfs/dbraw/zinc/82/69/78/389826978.db2.gz QFBGRXXUWYECJT-UONOGXRCSA-N 2 2 298.431 0.478 20 0 CCADLP C[NH2+]CC(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000430867042 389829819 /nfs/dbraw/zinc/82/98/19/389829819.db2.gz IOBPLGYDASDSDE-SNVBAGLBSA-N 2 2 264.373 0.831 20 0 CCADLP Cc1ccccc1CNC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430926821 389835916 /nfs/dbraw/zinc/83/59/16/389835916.db2.gz OUOOBTRTIVKQRQ-CYBMUJFWSA-N 2 2 261.369 0.892 20 0 CCADLP Cc1ccccc1CNC(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430926821 389835920 /nfs/dbraw/zinc/83/59/20/389835920.db2.gz OUOOBTRTIVKQRQ-CYBMUJFWSA-N 2 2 261.369 0.892 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430925672 389836031 /nfs/dbraw/zinc/83/60/31/389836031.db2.gz LUKSKPYEFRYHIV-NWDGAFQWSA-N 2 2 262.419 0.869 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430925672 389836033 /nfs/dbraw/zinc/83/60/33/389836033.db2.gz LUKSKPYEFRYHIV-NWDGAFQWSA-N 2 2 262.419 0.869 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@]1(O)CCSC1 ZINC000352812128 389838039 /nfs/dbraw/zinc/83/80/39/389838039.db2.gz ZFVSXUOWLNSMPH-WXHSDQCUSA-N 2 2 256.415 0.927 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@]1(O)CCSC1 ZINC000352812128 389838041 /nfs/dbraw/zinc/83/80/41/389838041.db2.gz ZFVSXUOWLNSMPH-WXHSDQCUSA-N 2 2 256.415 0.927 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430958042 389840099 /nfs/dbraw/zinc/84/00/99/389840099.db2.gz WFABPGLCHXCFJC-OLZOCXBDSA-N 2 2 271.405 0.588 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430958042 389840102 /nfs/dbraw/zinc/84/01/02/389840102.db2.gz WFABPGLCHXCFJC-OLZOCXBDSA-N 2 2 271.405 0.588 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[NH+]1CCC([NH2+]C)CC1 ZINC000430962527 389840659 /nfs/dbraw/zinc/84/06/59/389840659.db2.gz HJZXUWUABMYZCN-LBPRGKRZSA-N 2 2 271.405 0.602 20 0 CCADLP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430959905 389841395 /nfs/dbraw/zinc/84/13/95/389841395.db2.gz FIRHBFQMNXRGQR-RBSFLKMASA-N 2 2 297.443 0.979 20 0 CCADLP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430959905 389841396 /nfs/dbraw/zinc/84/13/96/389841396.db2.gz FIRHBFQMNXRGQR-RBSFLKMASA-N 2 2 297.443 0.979 20 0 CCADLP O=C([C@H]1CCCC[NH2+]1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000431004927 389844382 /nfs/dbraw/zinc/84/43/82/389844382.db2.gz SZISALYAFXRFAG-GFCCVEGCSA-N 2 2 277.372 0.196 20 0 CCADLP C[C@@H]([NH3+])CC(=O)NC1(c2noc(C[NH+](C)C)n2)CCCC1 ZINC000431036589 389847251 /nfs/dbraw/zinc/84/72/51/389847251.db2.gz FVCMKRBVRLWLQG-SNVBAGLBSA-N 2 2 295.387 0.754 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@@H+]2CCCC[C@H]2CC(N)=O)n1 ZINC000431089734 389849570 /nfs/dbraw/zinc/84/95/70/389849570.db2.gz VYASPPGHUJJCDN-VIFPVBQESA-N 2 2 281.360 0.493 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@H+]2CCCC[C@H]2CC(N)=O)n1 ZINC000431089734 389849571 /nfs/dbraw/zinc/84/95/71/389849571.db2.gz VYASPPGHUJJCDN-VIFPVBQESA-N 2 2 281.360 0.493 20 0 CCADLP C[C@@H](C(=O)N1CCC[C@@H](CC[NH3+])C1)[NH+]1CCOCC1 ZINC000442620416 389850769 /nfs/dbraw/zinc/85/07/69/389850769.db2.gz JPPCJKMNMYNNJE-STQMWFEESA-N 2 2 269.389 0.295 20 0 CCADLP [NH3+][C@@H](C(=O)NCC1([NH3+])CCC1)c1c(F)cccc1F ZINC000417810709 389851461 /nfs/dbraw/zinc/85/14/61/389851461.db2.gz NXCFCBDKVGRUDV-LLVKDONJSA-N 2 2 269.295 0.962 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C[NH+](C)C ZINC000442648801 389853133 /nfs/dbraw/zinc/85/31/33/389853133.db2.gz LKFJFEDQUJOIDD-UHFFFAOYSA-N 3 2 270.421 0.032 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C[NH+](C)C ZINC000442648801 389853136 /nfs/dbraw/zinc/85/31/36/389853136.db2.gz LKFJFEDQUJOIDD-UHFFFAOYSA-N 3 2 270.421 0.032 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)CC1 ZINC000442761896 389861601 /nfs/dbraw/zinc/86/16/01/389861601.db2.gz ZAUVREAGLBXOCS-HZSPNIEDSA-N 3 2 282.432 0.208 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)CC1 ZINC000442761896 389861603 /nfs/dbraw/zinc/86/16/03/389861603.db2.gz ZAUVREAGLBXOCS-HZSPNIEDSA-N 3 2 282.432 0.208 20 0 CCADLP COc1coc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1=O ZINC000442759165 389861658 /nfs/dbraw/zinc/86/16/58/389861658.db2.gz QIBFKQOSLRGFAO-UWVGGRQHSA-N 2 2 252.314 0.818 20 0 CCADLP COc1coc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1=O ZINC000442759165 389861660 /nfs/dbraw/zinc/86/16/60/389861660.db2.gz QIBFKQOSLRGFAO-UWVGGRQHSA-N 2 2 252.314 0.818 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+](CCO)[C@@H]1CCCSC1)C1CC1 ZINC000433186544 389904391 /nfs/dbraw/zinc/90/43/91/389904391.db2.gz FHJBBJIKRFVMTO-ZIAGYGMSSA-N 2 2 288.457 0.631 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+](CCO)[C@@H]1CCCSC1)C1CC1 ZINC000433186544 389904393 /nfs/dbraw/zinc/90/43/93/389904393.db2.gz FHJBBJIKRFVMTO-ZIAGYGMSSA-N 2 2 288.457 0.631 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+](CCO)[C@@H]1CCCSC1)C1CC1 ZINC000433186544 389904395 /nfs/dbraw/zinc/90/43/95/389904395.db2.gz FHJBBJIKRFVMTO-ZIAGYGMSSA-N 2 2 288.457 0.631 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+](CCO)[C@@H]1CCCSC1)C1CC1 ZINC000433186544 389904396 /nfs/dbraw/zinc/90/43/96/389904396.db2.gz FHJBBJIKRFVMTO-ZIAGYGMSSA-N 2 2 288.457 0.631 20 0 CCADLP CCCCOC[C@@H](O)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000432743808 389887721 /nfs/dbraw/zinc/88/77/21/389887721.db2.gz ZVTZVXAOEDRFBR-AWEZNQCLSA-N 2 2 296.415 0.705 20 0 CCADLP CC(C)OC[C@H](CO)[N@H+](C)CCCn1cc[nH+]c1 ZINC000433145869 389901133 /nfs/dbraw/zinc/90/11/33/389901133.db2.gz JNFLFTPHVQKIHT-ZDUSSCGKSA-N 2 2 255.362 0.991 20 0 CCADLP CC(C)OC[C@H](CO)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000433145869 389901136 /nfs/dbraw/zinc/90/11/36/389901136.db2.gz JNFLFTPHVQKIHT-ZDUSSCGKSA-N 2 2 255.362 0.991 20 0 CCADLP CC(C)[C@H](C(=O)N1CC[NH+](C[C@@H](C)O)CC1)[NH+](C)C ZINC000444384801 389905787 /nfs/dbraw/zinc/90/57/87/389905787.db2.gz SUFLQKZSTNXFDF-CHWSQXEVSA-N 2 2 271.405 0.098 20 0 CCADLP C[NH2+]CCC[N@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000435880896 389965192 /nfs/dbraw/zinc/96/51/92/389965192.db2.gz RBFBARVJQDRLLF-VXGBXAGGSA-N 2 2 262.419 0.884 20 0 CCADLP C[NH2+]CCC[N@@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000435880896 389965194 /nfs/dbraw/zinc/96/51/94/389965194.db2.gz RBFBARVJQDRLLF-VXGBXAGGSA-N 2 2 262.419 0.884 20 0 CCADLP C[C@H]1C[NH2+]CCN1c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000420218048 389967409 /nfs/dbraw/zinc/96/74/09/389967409.db2.gz LHMCVWSAGMSTAW-RYUDHWBXSA-N 2 2 277.372 0.236 20 0 CCADLP C[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000419821480 389919733 /nfs/dbraw/zinc/91/97/33/389919733.db2.gz VVBMHTUYNWWLFM-BXUZGUMPSA-N 2 2 261.325 0.704 20 0 CCADLP CC(C)[C@@H](C(=O)NCC1([NH+]2CCOCC2)CC1)[NH+](C)C ZINC000434035906 389923343 /nfs/dbraw/zinc/92/33/43/389923343.db2.gz KAIGVOFIHXTFAO-ZDUSSCGKSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1(N2CCOCC2)CC1 ZINC000446974081 389943852 /nfs/dbraw/zinc/94/38/52/389943852.db2.gz GWVZNXGKXOIMGV-DZGCQCFKSA-N 2 2 279.428 0.924 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1(N2CCOCC2)CC1 ZINC000446974081 389943853 /nfs/dbraw/zinc/94/38/53/389943853.db2.gz GWVZNXGKXOIMGV-DZGCQCFKSA-N 2 2 279.428 0.924 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(N2CCOCC2)CC1 ZINC000434786008 389945894 /nfs/dbraw/zinc/94/58/94/389945894.db2.gz NIQCFMYZQKQURQ-CHWSQXEVSA-N 2 2 253.390 0.391 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(N2CCOCC2)CC1 ZINC000434786008 389945899 /nfs/dbraw/zinc/94/58/99/389945899.db2.gz NIQCFMYZQKQURQ-CHWSQXEVSA-N 2 2 253.390 0.391 20 0 CCADLP [NH3+]CC[N@H+](CCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000420304501 389980600 /nfs/dbraw/zinc/98/06/00/389980600.db2.gz JAFSNNRCWRLCSM-UHFFFAOYSA-N 3 2 262.401 0.353 20 0 CCADLP [NH3+]CC[N@@H+](CCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000420304501 389980601 /nfs/dbraw/zinc/98/06/01/389980601.db2.gz JAFSNNRCWRLCSM-UHFFFAOYSA-N 3 2 262.401 0.353 20 0 CCADLP C[NH2+]CC[N@H+](C)CCC(=O)NC(=O)Nc1ccccc1 ZINC000420331755 389984816 /nfs/dbraw/zinc/98/48/16/389984816.db2.gz ACFLBFKCQNLBBE-UHFFFAOYSA-N 2 2 278.356 0.876 20 0 CCADLP C[NH2+]CC[N@@H+](C)CCC(=O)NC(=O)Nc1ccccc1 ZINC000420331755 389984817 /nfs/dbraw/zinc/98/48/17/389984817.db2.gz ACFLBFKCQNLBBE-UHFFFAOYSA-N 2 2 278.356 0.876 20 0 CCADLP CC(C)C[C@@H](C)N(C)C(=O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420348793 389987811 /nfs/dbraw/zinc/98/78/11/389987811.db2.gz AZRVUUVUPAWWRS-NEPJUHHUSA-N 2 2 259.394 0.131 20 0 CCADLP CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420348793 389987814 /nfs/dbraw/zinc/98/78/14/389987814.db2.gz AZRVUUVUPAWWRS-NEPJUHHUSA-N 2 2 259.394 0.131 20 0 CCADLP CCC[C@@H](NC(=O)C[N@H+](C)C[C@H](O)C[NH3+])c1ccccc1 ZINC000420349021 389987997 /nfs/dbraw/zinc/98/79/97/389987997.db2.gz BMEZOBGDNXLBDK-HUUCEWRRSA-N 2 2 293.411 0.895 20 0 CCADLP CCC[C@@H](NC(=O)C[N@@H+](C)C[C@H](O)C[NH3+])c1ccccc1 ZINC000420349021 389988000 /nfs/dbraw/zinc/98/80/00/389988000.db2.gz BMEZOBGDNXLBDK-HUUCEWRRSA-N 2 2 293.411 0.895 20 0 CCADLP C[N@@H+](CC(=O)NCCC1CCCCC1)C[C@H](O)C[NH3+] ZINC000420349895 389988318 /nfs/dbraw/zinc/98/83/18/389988318.db2.gz FBKBURHCDKOLBF-CYBMUJFWSA-N 2 2 271.405 0.324 20 0 CCADLP C[N@H+](CC(=O)NCCC1CCCCC1)C[C@H](O)C[NH3+] ZINC000420349895 389988321 /nfs/dbraw/zinc/98/83/21/389988321.db2.gz FBKBURHCDKOLBF-CYBMUJFWSA-N 2 2 271.405 0.324 20 0 CCADLP C[N@@H+](CC(=O)NC1(c2ccccc2)CCC1)C[C@H](O)C[NH3+] ZINC000420349882 389988407 /nfs/dbraw/zinc/98/84/07/389988407.db2.gz FALLJVAVHPRYGG-CQSZACIVSA-N 2 2 291.395 0.433 20 0 CCADLP C[N@H+](CC(=O)NC1(c2ccccc2)CCC1)C[C@H](O)C[NH3+] ZINC000420349882 389988409 /nfs/dbraw/zinc/98/84/09/389988409.db2.gz FALLJVAVHPRYGG-CQSZACIVSA-N 2 2 291.395 0.433 20 0 CCADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420351716 389989323 /nfs/dbraw/zinc/98/93/23/389989323.db2.gz KRAMZHBIFYGBIS-BXKDBHETSA-N 2 2 285.775 0.918 20 0 CCADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420351716 389989325 /nfs/dbraw/zinc/98/93/25/389989325.db2.gz KRAMZHBIFYGBIS-BXKDBHETSA-N 2 2 285.775 0.918 20 0 CCADLP Cc1cccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000420357816 389990968 /nfs/dbraw/zinc/99/09/68/389990968.db2.gz SZBFUWJJIGRSNI-AAEUAGOBSA-N 2 2 265.357 0.573 20 0 CCADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000420357816 389990969 /nfs/dbraw/zinc/99/09/69/389990969.db2.gz SZBFUWJJIGRSNI-AAEUAGOBSA-N 2 2 265.357 0.573 20 0 CCADLP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000420359227 389991443 /nfs/dbraw/zinc/99/14/43/389991443.db2.gz VFJROKCUXVIYOE-UPJWGTAASA-N 2 2 271.405 0.275 20 0 CCADLP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420359227 389991445 /nfs/dbraw/zinc/99/14/45/389991445.db2.gz VFJROKCUXVIYOE-UPJWGTAASA-N 2 2 271.405 0.275 20 0 CCADLP O=C1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCN1CC(F)(F)F ZINC000420360203 389991472 /nfs/dbraw/zinc/99/14/72/389991472.db2.gz LLWNHDBZLIVYHM-JTQLQIEISA-N 2 2 279.306 0.693 20 0 CCADLP O=C1C[N@H+](CC[C@@H]2CC[NH2+]C2)CCN1CC(F)(F)F ZINC000420360203 389991474 /nfs/dbraw/zinc/99/14/74/389991474.db2.gz LLWNHDBZLIVYHM-JTQLQIEISA-N 2 2 279.306 0.693 20 0 CCADLP Cc1ccccc1CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420359836 389991602 /nfs/dbraw/zinc/99/16/02/389991602.db2.gz WFAVVFHHJXGMJI-HIFRSBDPSA-N 2 2 293.411 0.294 20 0 CCADLP Cc1ccccc1CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420359836 389991604 /nfs/dbraw/zinc/99/16/04/389991604.db2.gz WFAVVFHHJXGMJI-HIFRSBDPSA-N 2 2 293.411 0.294 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)N1CCCCC1 ZINC000420365735 389992681 /nfs/dbraw/zinc/99/26/81/389992681.db2.gz LKUFVIHFIZLWGI-MBNYWOFBSA-N 2 2 253.390 0.975 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420362971 389992768 /nfs/dbraw/zinc/99/27/68/389992768.db2.gz NMBCWAKRIJFBSS-JTQLQIEISA-N 2 2 272.393 0.431 20 0 CCADLP CCCCNC(=O)NC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420366052 389992850 /nfs/dbraw/zinc/99/28/50/389992850.db2.gz QTYMXVIEGMCQAC-SNVBAGLBSA-N 2 2 272.393 0.575 20 0 CCADLP CC(=O)[C@H](NC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)C(C)C ZINC000420371457 389993868 /nfs/dbraw/zinc/99/38/68/389993868.db2.gz PLTISASWRLTFIC-YIKOMLBNSA-N 2 2 283.416 0.692 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000449443208 389993901 /nfs/dbraw/zinc/99/39/01/389993901.db2.gz QFYGLGUMLSNYOH-TUAOUCFPSA-N 2 2 277.434 0.244 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000449443208 389993904 /nfs/dbraw/zinc/99/39/04/389993904.db2.gz QFYGLGUMLSNYOH-TUAOUCFPSA-N 2 2 277.434 0.244 20 0 CCADLP CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2noc(C[NH3+])n2)C1 ZINC000420381510 389994834 /nfs/dbraw/zinc/99/48/34/389994834.db2.gz XLYWPBJAKITONA-CQSZACIVSA-N 2 2 296.371 0.940 20 0 CCADLP CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2noc(C[NH3+])n2)C1 ZINC000420381510 389994835 /nfs/dbraw/zinc/99/48/35/389994835.db2.gz XLYWPBJAKITONA-CQSZACIVSA-N 2 2 296.371 0.940 20 0 CCADLP CN(CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000451137153 390000789 /nfs/dbraw/zinc/00/07/89/390000789.db2.gz HMSOWVWXBDHGDW-ZNMIVQPWSA-N 2 2 267.417 0.876 20 0 CCADLP CN(CC[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000451137153 390000791 /nfs/dbraw/zinc/00/07/91/390000791.db2.gz HMSOWVWXBDHGDW-ZNMIVQPWSA-N 2 2 267.417 0.876 20 0 CCADLP CCO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000452036714 390006140 /nfs/dbraw/zinc/00/61/40/390006140.db2.gz SDBDGJICFCKQCE-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP COC[C@H]1C[N@H+](CCn2cc[nH+]c2C)C[C@@H](C)O1 ZINC000439283851 390019468 /nfs/dbraw/zinc/01/94/68/390019468.db2.gz LDHLMPZOTMNIPE-DGCLKSJQSA-N 2 2 253.346 0.927 20 0 CCADLP COC[C@H]1C[N@@H+](CCn2cc[nH+]c2C)C[C@@H](C)O1 ZINC000439283851 390019470 /nfs/dbraw/zinc/01/94/70/390019470.db2.gz LDHLMPZOTMNIPE-DGCLKSJQSA-N 2 2 253.346 0.927 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH+](C)C ZINC000439896012 390027652 /nfs/dbraw/zinc/02/76/52/390027652.db2.gz GFNNRMNAHBBPKA-MNOVXSKESA-N 2 2 250.346 0.512 20 0 CCADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000457139228 390032091 /nfs/dbraw/zinc/03/20/91/390032091.db2.gz WYASQYFGSOAJJI-GFCCVEGCSA-N 2 2 288.351 0.473 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000457139228 390032092 /nfs/dbraw/zinc/03/20/92/390032092.db2.gz WYASQYFGSOAJJI-GFCCVEGCSA-N 2 2 288.351 0.473 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)NC[C@H](C)[NH+](C)C)CCO1 ZINC000459049582 390068512 /nfs/dbraw/zinc/06/85/12/390068512.db2.gz ZLELVCUVVZYRSP-STQMWFEESA-N 2 2 286.420 0.347 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)NC[C@H](C)[NH+](C)C)CCO1 ZINC000459049582 390068513 /nfs/dbraw/zinc/06/85/13/390068513.db2.gz ZLELVCUVVZYRSP-STQMWFEESA-N 2 2 286.420 0.347 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1Cc2ccccc2C[C@H]1C(N)=O ZINC000459301464 390072166 /nfs/dbraw/zinc/07/21/66/390072166.db2.gz DGVDOQNWIZNRJZ-HNNXBMFYSA-N 2 2 284.363 0.875 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1Cc2ccccc2C[C@H]1C(N)=O ZINC000459301464 390072167 /nfs/dbraw/zinc/07/21/67/390072167.db2.gz DGVDOQNWIZNRJZ-HNNXBMFYSA-N 2 2 284.363 0.875 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000493150709 390119590 /nfs/dbraw/zinc/11/95/90/390119590.db2.gz IONQTOBVDOCKHH-ZFDPJTLLSA-N 2 2 292.383 0.441 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000493150709 390119591 /nfs/dbraw/zinc/11/95/91/390119591.db2.gz IONQTOBVDOCKHH-ZFDPJTLLSA-N 2 2 292.383 0.441 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000457725118 390048754 /nfs/dbraw/zinc/04/87/54/390048754.db2.gz QGBQTKGLLCAYEQ-OAHLLOKOSA-N 2 2 295.427 0.839 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000457725118 390048755 /nfs/dbraw/zinc/04/87/55/390048755.db2.gz QGBQTKGLLCAYEQ-OAHLLOKOSA-N 2 2 295.427 0.839 20 0 CCADLP COc1c(C)[nH+]c(C2CC2)nc1NC[C@@](C)(O)C[NH+](C)C ZINC000579534591 390182871 /nfs/dbraw/zinc/18/28/71/390182871.db2.gz BFMOZYSGGJKEDN-OAHLLOKOSA-N 2 2 294.399 0.817 20 0 CCADLP CC(C)OC[C@@H](O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000538096279 390187618 /nfs/dbraw/zinc/18/76/18/390187618.db2.gz IJZXQZKOTNUVHN-OLZOCXBDSA-N 2 2 267.373 0.995 20 0 CCADLP CC(C)OC[C@@H](O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000538096279 390187625 /nfs/dbraw/zinc/18/76/25/390187625.db2.gz IJZXQZKOTNUVHN-OLZOCXBDSA-N 2 2 267.373 0.995 20 0 CCADLP C[C@]1(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCC[NH2+]1 ZINC000644150381 390148331 /nfs/dbraw/zinc/14/83/31/390148331.db2.gz VAJAEVJPHCDTHW-IUODEOHRSA-N 2 2 274.368 0.919 20 0 CCADLP O=C(CC[C@H]1CCC[NH2+]1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000494651113 390189552 /nfs/dbraw/zinc/18/95/52/390189552.db2.gz FTVWUXKTCMKAGP-HUUCEWRRSA-N 2 2 295.427 0.842 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)S(C)(=O)=O)[C@H](C)C1 ZINC000536833263 390171577 /nfs/dbraw/zinc/17/15/77/390171577.db2.gz OIEADWQCMQAIRF-UTUOFQBUSA-N 2 2 262.419 0.739 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)S(C)(=O)=O)[C@H](C)C1 ZINC000536833263 390171580 /nfs/dbraw/zinc/17/15/80/390171580.db2.gz OIEADWQCMQAIRF-UTUOFQBUSA-N 2 2 262.419 0.739 20 0 CCADLP O=C(C[N@H+](C1CC1)C1CC[NH2+]CC1)NCC(F)(F)F ZINC000647814395 390179025 /nfs/dbraw/zinc/17/90/25/390179025.db2.gz MGJSYEOWOPUMHF-UHFFFAOYSA-N 2 2 279.306 0.881 20 0 CCADLP O=C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)NCC(F)(F)F ZINC000647814395 390179027 /nfs/dbraw/zinc/17/90/27/390179027.db2.gz MGJSYEOWOPUMHF-UHFFFAOYSA-N 2 2 279.306 0.881 20 0 CCADLP Cc1nc([C@@H]2CCCC[N@@H+]2CCN2CC[NH2+]CC2)no1 ZINC000647882008 390206097 /nfs/dbraw/zinc/20/60/97/390206097.db2.gz ATLKYPQXTVTQNO-ZDUSSCGKSA-N 2 2 279.388 0.810 20 0 CCADLP Cc1nc([C@@H]2CCCC[N@H+]2CCN2CC[NH2+]CC2)no1 ZINC000647882008 390206101 /nfs/dbraw/zinc/20/61/01/390206101.db2.gz ATLKYPQXTVTQNO-ZDUSSCGKSA-N 2 2 279.388 0.810 20 0 CCADLP O=C(C[N@@H+](C[C@H]1CCCO1)C[C@H]1CC[NH2+]C1)N1CCCC1 ZINC000647889411 390210017 /nfs/dbraw/zinc/21/00/17/390210017.db2.gz OAVGMLHWDAHKOP-LSDHHAIUSA-N 2 2 295.427 0.699 20 0 CCADLP O=C(C[N@H+](C[C@H]1CCCO1)C[C@H]1CC[NH2+]C1)N1CCCC1 ZINC000647889411 390210020 /nfs/dbraw/zinc/21/00/20/390210020.db2.gz OAVGMLHWDAHKOP-LSDHHAIUSA-N 2 2 295.427 0.699 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647902809 390211855 /nfs/dbraw/zinc/21/18/55/390211855.db2.gz CEKRGLCJIIWEEV-UONOGXRCSA-N 2 2 283.416 0.603 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647902809 390211857 /nfs/dbraw/zinc/21/18/57/390211857.db2.gz CEKRGLCJIIWEEV-UONOGXRCSA-N 2 2 283.416 0.603 20 0 CCADLP CCc1noc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)n1 ZINC000647909635 390214626 /nfs/dbraw/zinc/21/46/26/390214626.db2.gz QIJCXIAWGRMPQH-NSHDSACASA-N 2 2 293.371 0.028 20 0 CCADLP CCc1noc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)n1 ZINC000647909635 390214632 /nfs/dbraw/zinc/21/46/32/390214632.db2.gz QIJCXIAWGRMPQH-NSHDSACASA-N 2 2 293.371 0.028 20 0 CCADLP CCCCOCCNC(=O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000647925631 390219131 /nfs/dbraw/zinc/21/91/31/390219131.db2.gz QUFXQSLFIHBKAP-UHFFFAOYSA-N 2 2 271.405 0.733 20 0 CCADLP C[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)S(C)(=O)=O ZINC000580183005 390226552 /nfs/dbraw/zinc/22/65/52/390226552.db2.gz OBTNTSLSYCRMQL-STQMWFEESA-N 2 2 292.445 0.102 20 0 CCADLP O=c1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)nc2cc[nH]n21 ZINC000647956703 390227590 /nfs/dbraw/zinc/22/75/90/390227590.db2.gz ZLDBUOXEEAYZSS-OAHLLOKOSA-N 2 2 287.367 0.598 20 0 CCADLP O=c1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)nc2cc[nH]n21 ZINC000647956703 390227592 /nfs/dbraw/zinc/22/75/92/390227592.db2.gz ZLDBUOXEEAYZSS-OAHLLOKOSA-N 2 2 287.367 0.598 20 0 CCADLP CCOc1cccc(CNC(=O)C[N@H+](C)CCC[NH3+])c1 ZINC000647848580 390191838 /nfs/dbraw/zinc/19/18/38/390191838.db2.gz VXYRDJRSNHTAGL-UHFFFAOYSA-N 2 2 279.384 0.982 20 0 CCADLP CCOc1cccc(CNC(=O)C[N@@H+](C)CCC[NH3+])c1 ZINC000647848580 390191843 /nfs/dbraw/zinc/19/18/43/390191843.db2.gz VXYRDJRSNHTAGL-UHFFFAOYSA-N 2 2 279.384 0.982 20 0 CCADLP CC(C)c1nc(N2CCC([NH3+])CC2)nc(N(C)C)[nH+]1 ZINC000579693009 390197960 /nfs/dbraw/zinc/19/79/60/390197960.db2.gz JZVNSAODZCGHCA-UHFFFAOYSA-N 2 2 264.377 0.989 20 0 CCADLP CC(C)c1nc(N(C)C)nc(N2CCC([NH3+])CC2)[nH+]1 ZINC000579693009 390197962 /nfs/dbraw/zinc/19/79/62/390197962.db2.gz JZVNSAODZCGHCA-UHFFFAOYSA-N 2 2 264.377 0.989 20 0 CCADLP [NH3+]C1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000580309702 390236448 /nfs/dbraw/zinc/23/64/48/390236448.db2.gz FALWNYGAORZXCP-CQSZACIVSA-N 2 2 281.400 0.580 20 0 CCADLP [NH3+]C1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000580309702 390236452 /nfs/dbraw/zinc/23/64/52/390236452.db2.gz FALWNYGAORZXCP-CQSZACIVSA-N 2 2 281.400 0.580 20 0 CCADLP Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000647990820 390240999 /nfs/dbraw/zinc/24/09/99/390240999.db2.gz KIJWVDCLHFNTCA-CQSZACIVSA-N 2 2 293.415 0.305 20 0 CCADLP Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000647990820 390241002 /nfs/dbraw/zinc/24/10/02/390241002.db2.gz KIJWVDCLHFNTCA-CQSZACIVSA-N 2 2 293.415 0.305 20 0 CCADLP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccc(Cl)o2)CC1 ZINC000644519151 390243057 /nfs/dbraw/zinc/24/30/57/390243057.db2.gz BHDJGBFPIVZCDS-NSHDSACASA-N 2 2 287.791 0.631 20 0 CCADLP CCOC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1CCOC ZINC000644546550 390250502 /nfs/dbraw/zinc/25/05/02/390250502.db2.gz MXPZLJNQEKKCNQ-QWHCGFSZSA-N 2 2 260.378 0.084 20 0 CCADLP CCOC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1CCOC ZINC000644546550 390250503 /nfs/dbraw/zinc/25/05/03/390250503.db2.gz MXPZLJNQEKKCNQ-QWHCGFSZSA-N 2 2 260.378 0.084 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]CCOC[C@@H]1CCOC1)C1CC1 ZINC000644558193 390252228 /nfs/dbraw/zinc/25/22/28/390252228.db2.gz VNZFSGQCHKPQJR-OCCSQVGLSA-N 2 2 272.389 0.084 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]CCOC[C@@H]1CCOC1)C1CC1 ZINC000644558193 390252230 /nfs/dbraw/zinc/25/22/30/390252230.db2.gz VNZFSGQCHKPQJR-OCCSQVGLSA-N 2 2 272.389 0.084 20 0 CCADLP C[C@H](CCCCO)[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000582062925 390256952 /nfs/dbraw/zinc/25/69/52/390256952.db2.gz HCIDNZIOYWRHAE-KBXIAJHMSA-N 2 2 288.432 0.597 20 0 CCADLP C[C@H](CCCCO)[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000582062925 390256955 /nfs/dbraw/zinc/25/69/55/390256955.db2.gz HCIDNZIOYWRHAE-KBXIAJHMSA-N 2 2 288.432 0.597 20 0 CCADLP COc1ncncc1C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000648036130 390257553 /nfs/dbraw/zinc/25/75/53/390257553.db2.gz ATEGIMNGDQESPM-UHFFFAOYSA-N 2 2 295.431 0.801 20 0 CCADLP COc1ncncc1C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000648036130 390257555 /nfs/dbraw/zinc/25/75/55/390257555.db2.gz ATEGIMNGDQESPM-UHFFFAOYSA-N 2 2 295.431 0.801 20 0 CCADLP COC(=O)N1CCC([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC000496012901 390283632 /nfs/dbraw/zinc/28/36/32/390283632.db2.gz HJOOJJKZHWJHEZ-AWEZNQCLSA-N 2 2 299.415 0.654 20 0 CCADLP COC(=O)N1CCC([NH2+]C[C@@H]2CCCC[N@H+]2CCO)CC1 ZINC000496012901 390283635 /nfs/dbraw/zinc/28/36/35/390283635.db2.gz HJOOJJKZHWJHEZ-AWEZNQCLSA-N 2 2 299.415 0.654 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC(=O)NC)C[C@@H]1C ZINC000408215593 285369575 /nfs/dbraw/zinc/36/95/75/285369575.db2.gz CZXMKHDNXBRHAV-WDEREUQCSA-N 2 2 270.377 0.247 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC(=O)NC)C[C@@H]1C ZINC000408215593 285369576 /nfs/dbraw/zinc/36/95/76/285369576.db2.gz CZXMKHDNXBRHAV-WDEREUQCSA-N 2 2 270.377 0.247 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC(=O)NC)C[C@@H]1C ZINC000408215593 285369577 /nfs/dbraw/zinc/36/95/77/285369577.db2.gz CZXMKHDNXBRHAV-WDEREUQCSA-N 2 2 270.377 0.247 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC(=O)NC)C[C@@H]1C ZINC000408215593 285369578 /nfs/dbraw/zinc/36/95/78/285369578.db2.gz CZXMKHDNXBRHAV-WDEREUQCSA-N 2 2 270.377 0.247 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[C@@H]3C[NH+](C)C[C@H]32)CCO1 ZINC000644734714 390299410 /nfs/dbraw/zinc/29/94/10/390299410.db2.gz OQIJHIKCUMDTKY-MGPQQGTHSA-N 2 2 253.390 0.343 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[C@@H]3C[NH+](C)C[C@H]32)CCO1 ZINC000644734714 390299412 /nfs/dbraw/zinc/29/94/12/390299412.db2.gz OQIJHIKCUMDTKY-MGPQQGTHSA-N 2 2 253.390 0.343 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[C@@H]3C[N@H+](C)C[C@H]32)CCO1 ZINC000644734714 390299416 /nfs/dbraw/zinc/29/94/16/390299416.db2.gz OQIJHIKCUMDTKY-MGPQQGTHSA-N 2 2 253.390 0.343 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[C@@H]3C[N@@H+](C)C[C@H]32)CCO1 ZINC000644734714 390299420 /nfs/dbraw/zinc/29/94/20/390299420.db2.gz OQIJHIKCUMDTKY-MGPQQGTHSA-N 2 2 253.390 0.343 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@H](c2nnc[nH]2)C1)C1CC1 ZINC000583627281 390300453 /nfs/dbraw/zinc/30/04/53/390300453.db2.gz HWIONXOKANMSOX-ZYHUDNBSSA-N 2 2 265.361 0.049 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@H](c2nnc[nH]2)C1)C1CC1 ZINC000583627281 390300454 /nfs/dbraw/zinc/30/04/54/390300454.db2.gz HWIONXOKANMSOX-ZYHUDNBSSA-N 2 2 265.361 0.049 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@H](c2nnc[nH]2)C1)C1CC1 ZINC000583627281 390300457 /nfs/dbraw/zinc/30/04/57/390300457.db2.gz HWIONXOKANMSOX-ZYHUDNBSSA-N 2 2 265.361 0.049 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@H](c2nnc[nH]2)C1)C1CC1 ZINC000583627281 390300461 /nfs/dbraw/zinc/30/04/61/390300461.db2.gz HWIONXOKANMSOX-ZYHUDNBSSA-N 2 2 265.361 0.049 20 0 CCADLP COc1ccncc1C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000583626035 390300618 /nfs/dbraw/zinc/30/06/18/390300618.db2.gz BVEQXKRNKLMYSG-ZDUSSCGKSA-N 2 2 265.357 0.635 20 0 CCADLP COc1ccncc1C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000583626035 390300622 /nfs/dbraw/zinc/30/06/22/390300622.db2.gz BVEQXKRNKLMYSG-ZDUSSCGKSA-N 2 2 265.357 0.635 20 0 CCADLP Cc1cc(NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)c(C)c[nH+]1 ZINC000545169804 390315988 /nfs/dbraw/zinc/31/59/88/390315988.db2.gz LSGFGSHLXDLZOH-CQSZACIVSA-N 2 2 278.356 0.308 20 0 CCADLP Cc1cc(NC(=O)NC[C@]2(O)CC[N@H+](C)C2)c(C)c[nH+]1 ZINC000545169804 390315991 /nfs/dbraw/zinc/31/59/91/390315991.db2.gz LSGFGSHLXDLZOH-CQSZACIVSA-N 2 2 278.356 0.308 20 0 CCADLP CC1(C)CC[N@H+](CC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000583881874 390322084 /nfs/dbraw/zinc/32/20/84/390322084.db2.gz NMZNKYXLDQBEFJ-OKILXGFUSA-N 2 2 295.427 0.698 20 0 CCADLP CC1(C)CC[N@@H+](CC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000583881874 390322086 /nfs/dbraw/zinc/32/20/86/390322086.db2.gz NMZNKYXLDQBEFJ-OKILXGFUSA-N 2 2 295.427 0.698 20 0 CCADLP CC1(C)CC[NH+](CC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000583881874 390322088 /nfs/dbraw/zinc/32/20/88/390322088.db2.gz NMZNKYXLDQBEFJ-OKILXGFUSA-N 2 2 295.427 0.698 20 0 CCADLP CC1(C)CC[NH+](CC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000583881874 390322090 /nfs/dbraw/zinc/32/20/90/390322090.db2.gz NMZNKYXLDQBEFJ-OKILXGFUSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc3c[nH]nc3c2)C1 ZINC000545859203 390331689 /nfs/dbraw/zinc/33/16/89/390331689.db2.gz IXELERRMQVIGIC-AWEZNQCLSA-N 2 2 260.341 0.719 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc3c[nH]nc3c2)C1 ZINC000545859203 390331691 /nfs/dbraw/zinc/33/16/91/390331691.db2.gz IXELERRMQVIGIC-AWEZNQCLSA-N 2 2 260.341 0.719 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCCc2ccccc2)[C@@H](C[NH3+])C1 ZINC000584399596 390339281 /nfs/dbraw/zinc/33/92/81/390339281.db2.gz YEXGIJOBLATUJI-HNNXBMFYSA-N 2 2 290.411 0.904 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCCc2ccccc2)[C@@H](C[NH3+])C1 ZINC000584399596 390339282 /nfs/dbraw/zinc/33/92/82/390339282.db2.gz YEXGIJOBLATUJI-HNNXBMFYSA-N 2 2 290.411 0.904 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000584459596 390346345 /nfs/dbraw/zinc/34/63/45/390346345.db2.gz ZJDJGMNSWSLRBU-ZIAGYGMSSA-N 2 2 298.431 0.539 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000584459596 390346349 /nfs/dbraw/zinc/34/63/49/390346349.db2.gz ZJDJGMNSWSLRBU-ZIAGYGMSSA-N 2 2 298.431 0.539 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000547864138 390405710 /nfs/dbraw/zinc/40/57/10/390405710.db2.gz HMEHICZUJSAWSQ-ZDUSSCGKSA-N 2 2 276.384 0.907 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[N@H+](C)C1CC1 ZINC000547868198 390406596 /nfs/dbraw/zinc/40/65/96/390406596.db2.gz QTQBPDPBHJIPSA-SNVBAGLBSA-N 2 2 250.346 0.562 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[N@@H+](C)C1CC1 ZINC000547868198 390406599 /nfs/dbraw/zinc/40/65/99/390406599.db2.gz QTQBPDPBHJIPSA-SNVBAGLBSA-N 2 2 250.346 0.562 20 0 CCADLP Cc1cc(N2CN(CC[NH+](C)C)C(=O)[C@H]2C)nc(C)[nH+]1 ZINC000645358236 390414140 /nfs/dbraw/zinc/41/41/40/390414140.db2.gz BEFOOTMWAQIBOU-LLVKDONJSA-N 2 2 277.372 0.650 20 0 CCADLP CC[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000554400469 390425591 /nfs/dbraw/zinc/42/55/91/390425591.db2.gz MQIDISFFNUNLMW-NSHDSACASA-N 2 2 250.346 0.563 20 0 CCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000547675105 390389898 /nfs/dbraw/zinc/38/98/98/390389898.db2.gz GJSVYJSCDFPFDN-QWHCGFSZSA-N 2 2 291.399 0.934 20 0 CCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000547675105 390389900 /nfs/dbraw/zinc/38/99/00/390389900.db2.gz GJSVYJSCDFPFDN-QWHCGFSZSA-N 2 2 291.399 0.934 20 0 CCADLP CCOC(=O)N1CC[C@H]([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000496948777 390391302 /nfs/dbraw/zinc/39/13/02/390391302.db2.gz XHFCTVLOWPTRAF-IHRRRGAJSA-N 2 2 297.399 0.574 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]([NH3+])c1cscn1 ZINC000519598129 390514697 /nfs/dbraw/zinc/51/46/97/390514697.db2.gz CGQIUXJAULVVGW-NSHDSACASA-N 2 2 279.369 0.888 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000643472309 390451508 /nfs/dbraw/zinc/45/15/08/390451508.db2.gz VEZDMYUCMYBMBE-HUUCEWRRSA-N 3 2 288.395 0.495 20 0 CCADLP OCC1(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CCC1 ZINC000643480609 390453408 /nfs/dbraw/zinc/45/34/08/390453408.db2.gz FZANHCDYGGZUTB-STQMWFEESA-N 2 2 254.374 0.506 20 0 CCADLP CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643506942 390456785 /nfs/dbraw/zinc/45/67/85/390456785.db2.gz NGAWYCLDFNKPMB-NWDGAFQWSA-N 2 2 260.403 0.684 20 0 CCADLP CCCN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@H+](C)C1 ZINC000648997902 390464535 /nfs/dbraw/zinc/46/45/35/390464535.db2.gz ZWSJIGDZSBZCIF-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP CCCN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@@H+](C)C1 ZINC000648997902 390464537 /nfs/dbraw/zinc/46/45/37/390464537.db2.gz ZWSJIGDZSBZCIF-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP CC(C)[NH2+]CCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000515634074 390477068 /nfs/dbraw/zinc/47/70/68/390477068.db2.gz MKBYYYAHGYMEFM-KGLIPLIRSA-N 3 2 255.406 0.731 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CC[C@H](F)C2)[C@H](C[NH3+])C1 ZINC000516167781 390479328 /nfs/dbraw/zinc/47/93/28/390479328.db2.gz XJVCOSKLKDMDDM-HBNTYKKESA-N 2 2 258.341 0.161 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CC[C@H](F)C2)[C@H](C[NH3+])C1 ZINC000516167781 390479332 /nfs/dbraw/zinc/47/93/32/390479332.db2.gz XJVCOSKLKDMDDM-HBNTYKKESA-N 2 2 258.341 0.161 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@H]1C[C@H]2CCCCN2C1=O)C1CC1 ZINC000516276920 390481187 /nfs/dbraw/zinc/48/11/87/390481187.db2.gz QLDCXLGEJSXHAH-MCIONIFRSA-N 2 2 281.400 0.185 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@H]1C[C@H]2CCCCN2C1=O)C1CC1 ZINC000516276920 390481188 /nfs/dbraw/zinc/48/11/88/390481188.db2.gz QLDCXLGEJSXHAH-MCIONIFRSA-N 2 2 281.400 0.185 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000516633468 390483798 /nfs/dbraw/zinc/48/37/98/390483798.db2.gz GDMCHCQAHJRJJZ-LBPRGKRZSA-N 2 2 267.377 0.959 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649320674 390578323 /nfs/dbraw/zinc/57/83/23/390578323.db2.gz VUNHVNLQKLICFM-MNOVXSKESA-N 2 2 291.342 0.068 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649320674 390578327 /nfs/dbraw/zinc/57/83/27/390578327.db2.gz VUNHVNLQKLICFM-MNOVXSKESA-N 2 2 291.342 0.068 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCc2ccco2)C[C@H](C)O1 ZINC000566107093 390578590 /nfs/dbraw/zinc/57/85/90/390578590.db2.gz FGDADMUXENWAFC-HZSPNIEDSA-N 2 2 282.384 0.882 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCc2ccco2)C[C@H](C)O1 ZINC000566107093 390578593 /nfs/dbraw/zinc/57/85/93/390578593.db2.gz FGDADMUXENWAFC-HZSPNIEDSA-N 2 2 282.384 0.882 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649321564 390579825 /nfs/dbraw/zinc/57/98/25/390579825.db2.gz BFDGZPQIXFFVIT-QMMMGPOBSA-N 2 2 258.272 0.281 20 0 CCADLP C[N@@H+]1CCN(Cc2nccn2-c2ccccc2)[C@@H](C[NH3+])C1 ZINC000519655997 390525529 /nfs/dbraw/zinc/52/55/29/390525529.db2.gz RSCRYKVABLOYIJ-HNNXBMFYSA-N 2 2 285.395 0.947 20 0 CCADLP C[N@H+]1CCN(Cc2nccn2-c2ccccc2)[C@@H](C[NH3+])C1 ZINC000519655997 390525537 /nfs/dbraw/zinc/52/55/37/390525537.db2.gz RSCRYKVABLOYIJ-HNNXBMFYSA-N 2 2 285.395 0.947 20 0 CCADLP C[N@@H+]1CCN(C(=O)CNc2cccc(Cl)c2)[C@H](C[NH3+])C1 ZINC000649274878 390542673 /nfs/dbraw/zinc/54/26/73/390542673.db2.gz YSQAYLYMTZBOLO-CYBMUJFWSA-N 2 2 296.802 0.853 20 0 CCADLP C[N@H+]1CCN(C(=O)CNc2cccc(Cl)c2)[C@H](C[NH3+])C1 ZINC000649274878 390542677 /nfs/dbraw/zinc/54/26/77/390542677.db2.gz YSQAYLYMTZBOLO-CYBMUJFWSA-N 2 2 296.802 0.853 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)CCO1 ZINC000649274300 390542926 /nfs/dbraw/zinc/54/29/26/390542926.db2.gz BFPNGCMIJNJJGV-YPMHNXCESA-N 2 2 288.351 0.451 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@H](C)[NH+]2CC(C)C2)CC[N@@H+]1C[C@H](C)O ZINC000565784155 390545748 /nfs/dbraw/zinc/54/57/48/390545748.db2.gz PKGZCBUPWUOCAP-SOUVJXGZSA-N 2 2 297.443 0.630 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@H](C)[NH+]2CC(C)C2)CC[N@H+]1C[C@H](C)O ZINC000565784155 390545754 /nfs/dbraw/zinc/54/57/54/390545754.db2.gz PKGZCBUPWUOCAP-SOUVJXGZSA-N 2 2 297.443 0.630 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)C2)CC1 ZINC000649334135 390590336 /nfs/dbraw/zinc/59/03/36/390590336.db2.gz MYNZDFACIAUJDE-OSRDXIQISA-N 3 2 292.427 0.022 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)C2)CC1 ZINC000649334135 390590338 /nfs/dbraw/zinc/59/03/38/390590338.db2.gz MYNZDFACIAUJDE-OSRDXIQISA-N 3 2 292.427 0.022 20 0 CCADLP COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000520248189 390562626 /nfs/dbraw/zinc/56/26/26/390562626.db2.gz SEDPZYVVHLQGRX-CHWSQXEVSA-N 2 2 281.356 0.351 20 0 CCADLP COC(=O)[C@H]1[C@H](O)CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000520248189 390562632 /nfs/dbraw/zinc/56/26/32/390562632.db2.gz SEDPZYVVHLQGRX-CHWSQXEVSA-N 2 2 281.356 0.351 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)CC[C@@H]2CCC[NH2+]2)CCO1 ZINC000649312532 390572419 /nfs/dbraw/zinc/57/24/19/390572419.db2.gz XMUJGCVLFOVRAA-OLZOCXBDSA-N 2 2 269.389 0.356 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)CC[C@@H]2CCC[NH2+]2)CCO1 ZINC000649312532 390572423 /nfs/dbraw/zinc/57/24/23/390572423.db2.gz XMUJGCVLFOVRAA-OLZOCXBDSA-N 2 2 269.389 0.356 20 0 CCADLP [NH3+][C@H]1C[C@@H](C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)C1 ZINC000520412067 390573007 /nfs/dbraw/zinc/57/30/07/390573007.db2.gz LHIAURGWTYRJKS-OKILXGFUSA-N 2 2 289.379 0.774 20 0 CCADLP Cc1[nH+]cc(CNC[C@H]2C[N@H+](C)CCN2C)n1C ZINC000522014231 390622262 /nfs/dbraw/zinc/62/22/62/390622262.db2.gz LXLRDRQHOFRWMK-ZDUSSCGKSA-N 2 2 251.378 0.064 20 0 CCADLP Cc1[nH+]cc(CNC[C@H]2C[N@@H+](C)CCN2C)n1C ZINC000522014231 390622264 /nfs/dbraw/zinc/62/22/64/390622264.db2.gz LXLRDRQHOFRWMK-ZDUSSCGKSA-N 2 2 251.378 0.064 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000646194775 390630221 /nfs/dbraw/zinc/63/02/21/390630221.db2.gz QSTRBOVMPXRXGO-AEJSXWLSSA-N 2 2 265.361 0.692 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000646194775 390630222 /nfs/dbraw/zinc/63/02/22/390630222.db2.gz QSTRBOVMPXRXGO-AEJSXWLSSA-N 2 2 265.361 0.692 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000646216399 390639212 /nfs/dbraw/zinc/63/92/12/390639212.db2.gz ZQGRVZUAKQAWHY-XQQFMLRXSA-N 2 2 286.420 0.474 20 0 CCADLP CC(C)[C@H](C(=O)N1CC(n2cc[nH+]c2)C1)[NH+](C)C ZINC000523689504 390640434 /nfs/dbraw/zinc/64/04/34/390640434.db2.gz XFBPIMXTDVNVGO-GFCCVEGCSA-N 2 2 250.346 0.853 20 0 CCADLP COc1cccc(C[C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCO2)n1 ZINC000566785602 390646370 /nfs/dbraw/zinc/64/63/70/390646370.db2.gz ZDLZCRKXXXFEHQ-YPMHNXCESA-N 2 2 265.357 0.599 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C)=C(C)C1 ZINC000566805325 390649523 /nfs/dbraw/zinc/64/95/23/390649523.db2.gz PEAYGSXRBIYXJE-CQSZACIVSA-N 2 2 256.390 0.968 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C)=C(C)C1 ZINC000566805325 390649526 /nfs/dbraw/zinc/64/95/26/390649526.db2.gz PEAYGSXRBIYXJE-CQSZACIVSA-N 2 2 256.390 0.968 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC(C)=C(C)C1 ZINC000566805325 390649528 /nfs/dbraw/zinc/64/95/28/390649528.db2.gz PEAYGSXRBIYXJE-CQSZACIVSA-N 2 2 256.390 0.968 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC(C)=C(C)C1 ZINC000566805325 390649531 /nfs/dbraw/zinc/64/95/31/390649531.db2.gz PEAYGSXRBIYXJE-CQSZACIVSA-N 2 2 256.390 0.968 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000646253085 390650210 /nfs/dbraw/zinc/65/02/10/390650210.db2.gz QBMPTTARARRFGT-NSHDSACASA-N 2 2 250.346 0.730 20 0 CCADLP COC[C@@]1(C(=O)NCc2[nH]c[nH+]c2C)CCC[NH2+]1 ZINC000649347893 390600832 /nfs/dbraw/zinc/60/08/32/390600832.db2.gz LKARVZZAYQJCSF-GFCCVEGCSA-N 2 2 252.318 0.103 20 0 CCADLP C[C@@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)[NH+]1CCOCC1 ZINC000521268429 390601561 /nfs/dbraw/zinc/60/15/61/390601561.db2.gz HLNSGDPDPWLGOT-KKUMJFAQSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)[NH+]1CCOCC1 ZINC000521268429 390601564 /nfs/dbraw/zinc/60/15/64/390601564.db2.gz HLNSGDPDPWLGOT-KKUMJFAQSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@H](C[NH+]1CCN(c2cc[nH+]cc2)CC1)S(C)(=O)=O ZINC000649351928 390602910 /nfs/dbraw/zinc/60/29/10/390602910.db2.gz SPNSEQYEPHYFGW-GFCCVEGCSA-N 2 2 283.397 0.637 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)NC[C@]3(O)CC[N@@H+](C)C3)ccn12 ZINC000566450990 390611681 /nfs/dbraw/zinc/61/16/81/390611681.db2.gz LXGCNOADDZCCPD-OAHLLOKOSA-N 2 2 288.351 0.439 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)NC[C@]3(O)CC[N@H+](C)C3)ccn12 ZINC000566450990 390611684 /nfs/dbraw/zinc/61/16/84/390611684.db2.gz LXGCNOADDZCCPD-OAHLLOKOSA-N 2 2 288.351 0.439 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc3c(n2)CCC3)C1 ZINC000567565969 390704001 /nfs/dbraw/zinc/70/40/01/390704001.db2.gz CSDZEIJPRPVGLE-HNNXBMFYSA-N 2 2 261.369 0.727 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc3c(n2)CCC3)C1 ZINC000567565969 390704002 /nfs/dbraw/zinc/70/40/02/390704002.db2.gz CSDZEIJPRPVGLE-HNNXBMFYSA-N 2 2 261.369 0.727 20 0 CCADLP CN1CC[NH+](CCCCNC(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000568194235 390712845 /nfs/dbraw/zinc/71/28/45/390712845.db2.gz BRGYWLCJZXCRTK-UHFFFAOYSA-N 2 2 296.459 0.472 20 0 CCADLP C[NH+]1CCN(CCCCNC(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000568194235 390712847 /nfs/dbraw/zinc/71/28/47/390712847.db2.gz BRGYWLCJZXCRTK-UHFFFAOYSA-N 2 2 296.459 0.472 20 0 CCADLP C[C@@H](CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccncc1 ZINC000646833176 390725637 /nfs/dbraw/zinc/72/56/37/390725637.db2.gz LSHFDEUFEVDDRO-JSGCOSHPSA-N 2 2 276.384 0.677 20 0 CCADLP C[C@@H](CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccncc1 ZINC000646833176 390725638 /nfs/dbraw/zinc/72/56/38/390725638.db2.gz LSHFDEUFEVDDRO-JSGCOSHPSA-N 2 2 276.384 0.677 20 0 CCADLP CCn1nncc1C[NH2+]C1CC[NH+](CCOC)CC1 ZINC000527920676 390726304 /nfs/dbraw/zinc/72/63/04/390726304.db2.gz QKMBSAFKQLLMOC-UHFFFAOYSA-N 2 2 267.377 0.498 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000566983981 390664503 /nfs/dbraw/zinc/66/45/03/390664503.db2.gz BBTFMYNBUCYDDF-KOLCDFICSA-N 2 2 251.334 0.549 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000566983981 390664504 /nfs/dbraw/zinc/66/45/04/390664504.db2.gz BBTFMYNBUCYDDF-KOLCDFICSA-N 2 2 251.334 0.549 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](OCC(C)C)C1 ZINC000567058466 390669404 /nfs/dbraw/zinc/66/94/04/390669404.db2.gz RXEISQGRAFUFFI-CABCVRRESA-N 2 2 288.432 0.672 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](OCC(C)C)C1 ZINC000567058466 390669406 /nfs/dbraw/zinc/66/94/06/390669406.db2.gz RXEISQGRAFUFFI-CABCVRRESA-N 2 2 288.432 0.672 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC000567058466 390669409 /nfs/dbraw/zinc/66/94/09/390669409.db2.gz RXEISQGRAFUFFI-CABCVRRESA-N 2 2 288.432 0.672 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000567058466 390669410 /nfs/dbraw/zinc/66/94/10/390669410.db2.gz RXEISQGRAFUFFI-CABCVRRESA-N 2 2 288.432 0.672 20 0 CCADLP CCC[C@@H](C)[C@H](CO)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000571331638 390731163 /nfs/dbraw/zinc/73/11/63/390731163.db2.gz REBXJHAJAQTKMO-OLZOCXBDSA-N 2 2 271.405 0.147 20 0 CCADLP CCC[C@@H](C)[C@@H](CO)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000571331632 390731195 /nfs/dbraw/zinc/73/11/95/390731195.db2.gz REBXJHAJAQTKMO-CHWSQXEVSA-N 2 2 271.405 0.147 20 0 CCADLP COC[C@H](C)C[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000526124392 390679923 /nfs/dbraw/zinc/67/99/23/390679923.db2.gz WDIHCBFROXAQEL-CYBMUJFWSA-N 2 2 266.389 0.820 20 0 CCADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)COCC[NH3+])CC1 ZINC000646508848 390689283 /nfs/dbraw/zinc/68/92/83/390689283.db2.gz RJBUJXFGGHQMLL-LBPRGKRZSA-N 2 2 297.424 0.929 20 0 CCADLP CN(CCC[NH3+])C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000567293011 390692194 /nfs/dbraw/zinc/69/21/94/390692194.db2.gz CRURXUXPDGSQRJ-UHFFFAOYSA-N 2 2 293.293 0.936 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCSC[C@H](C(=O)OC)C1 ZINC000567364075 390695161 /nfs/dbraw/zinc/69/51/61/390695161.db2.gz ACUYRERKNWUBHE-VXGBXAGGSA-N 2 2 290.429 0.137 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCSC[C@H](C(=O)OC)C1 ZINC000567364075 390695162 /nfs/dbraw/zinc/69/51/62/390695162.db2.gz ACUYRERKNWUBHE-VXGBXAGGSA-N 2 2 290.429 0.137 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCSC[C@H](C(=O)OC)C1 ZINC000567364075 390695164 /nfs/dbraw/zinc/69/51/64/390695164.db2.gz ACUYRERKNWUBHE-VXGBXAGGSA-N 2 2 290.429 0.137 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCSC[C@H](C(=O)OC)C1 ZINC000567364075 390695165 /nfs/dbraw/zinc/69/51/65/390695165.db2.gz ACUYRERKNWUBHE-VXGBXAGGSA-N 2 2 290.429 0.137 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000571879641 390756889 /nfs/dbraw/zinc/75/68/89/390756889.db2.gz YPQUBLWWNHVIPG-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000571879641 390756891 /nfs/dbraw/zinc/75/68/91/390756891.db2.gz YPQUBLWWNHVIPG-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@](C)([NH3+])c2ccccc2)CCO1 ZINC000572003271 390763333 /nfs/dbraw/zinc/76/33/33/390763333.db2.gz MAPXUMFDRZTVIR-CZUORRHYSA-N 2 2 291.395 0.697 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@](C)([NH3+])c2ccccc2)CCO1 ZINC000572003271 390763334 /nfs/dbraw/zinc/76/33/34/390763334.db2.gz MAPXUMFDRZTVIR-CZUORRHYSA-N 2 2 291.395 0.697 20 0 CCADLP C[N@@H+]1CCN(C(=O)COc2ccc(C#N)cc2)[C@@H](C[NH3+])C1 ZINC000572252823 390774409 /nfs/dbraw/zinc/77/44/09/390774409.db2.gz WOOUAGPZOMKVMS-ZDUSSCGKSA-N 2 2 288.351 0.038 20 0 CCADLP C[N@H+]1CCN(C(=O)COc2ccc(C#N)cc2)[C@@H](C[NH3+])C1 ZINC000572252823 390774411 /nfs/dbraw/zinc/77/44/11/390774411.db2.gz WOOUAGPZOMKVMS-ZDUSSCGKSA-N 2 2 288.351 0.038 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000572249608 390774631 /nfs/dbraw/zinc/77/46/31/390774631.db2.gz QTPOGKCNWSORMK-AWEZNQCLSA-N 2 2 271.405 0.147 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000572249608 390774633 /nfs/dbraw/zinc/77/46/33/390774633.db2.gz QTPOGKCNWSORMK-AWEZNQCLSA-N 2 2 271.405 0.147 20 0 CCADLP C[NH2+][C@@H](C)Cc1noc([C@H]2CC[NH2+]CC2(F)F)n1 ZINC000647142931 390779702 /nfs/dbraw/zinc/77/97/02/390779702.db2.gz VMFZKQVIZDGBFG-JGVFFNPUSA-N 2 2 260.288 0.932 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)CO1 ZINC000647183852 390784467 /nfs/dbraw/zinc/78/44/67/390784467.db2.gz PVKNDBKNRABIAU-ILXRZTDVSA-N 2 2 283.416 0.160 20 0 CCADLP CC1(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000572576545 390790085 /nfs/dbraw/zinc/79/00/85/390790085.db2.gz STCPELVDEGKNTO-CYBMUJFWSA-N 2 2 281.400 0.309 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000572599647 390790989 /nfs/dbraw/zinc/79/09/89/390790989.db2.gz HTHFQNCNTXWLQN-NWDGAFQWSA-N 2 2 286.420 0.522 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000572599647 390790991 /nfs/dbraw/zinc/79/09/91/390790991.db2.gz HTHFQNCNTXWLQN-NWDGAFQWSA-N 2 2 286.420 0.522 20 0 CCADLP [NH3+][C@@H](C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1cscn1 ZINC000572635730 390794210 /nfs/dbraw/zinc/79/42/10/390794210.db2.gz DWSBQGYDZFQEPQ-ZYHUDNBSSA-N 2 2 280.397 0.840 20 0 CCADLP [NH3+][C@@H](C(=O)N1CC[N@H+]2CCCC[C@@H]2C1)c1cscn1 ZINC000572635730 390794213 /nfs/dbraw/zinc/79/42/13/390794213.db2.gz DWSBQGYDZFQEPQ-ZYHUDNBSSA-N 2 2 280.397 0.840 20 0 CCADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]CC1(O)CCCC1 ZINC000572643489 390794775 /nfs/dbraw/zinc/79/47/75/390794775.db2.gz YOQWUVUXFZRRLX-ZDUSSCGKSA-N 2 2 256.390 0.728 20 0 CCADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]CC1(O)CCCC1 ZINC000572643489 390794776 /nfs/dbraw/zinc/79/47/76/390794776.db2.gz YOQWUVUXFZRRLX-ZDUSSCGKSA-N 2 2 256.390 0.728 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCCc2ncn(C)n2)C[N@@H+]1C1CC1 ZINC000647231061 390795043 /nfs/dbraw/zinc/79/50/43/390795043.db2.gz DKNIYPKJMZSXSD-NEPJUHHUSA-N 2 2 263.389 0.963 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCCc2ncn(C)n2)C[N@H+]1C1CC1 ZINC000647231061 390795045 /nfs/dbraw/zinc/79/50/45/390795045.db2.gz DKNIYPKJMZSXSD-NEPJUHHUSA-N 2 2 263.389 0.963 20 0 CCADLP COCC[N@@H+]1CC[C@H]([NH2+]CCCc2ncn(C)n2)C1 ZINC000647231103 390795158 /nfs/dbraw/zinc/79/51/58/390795158.db2.gz GPINMBDDJNCGCT-LBPRGKRZSA-N 2 2 267.377 0.058 20 0 CCADLP COCC[N@H+]1CC[C@H]([NH2+]CCCc2ncn(C)n2)C1 ZINC000647231103 390795161 /nfs/dbraw/zinc/79/51/61/390795161.db2.gz GPINMBDDJNCGCT-LBPRGKRZSA-N 2 2 267.377 0.058 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCO[C@@H](C(C)(C)C)C1 ZINC000572732188 390799732 /nfs/dbraw/zinc/79/97/32/390799732.db2.gz YUFDZNQCMBDNFY-ZIAGYGMSSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCO[C@@H](C(C)(C)C)C1 ZINC000572732188 390799733 /nfs/dbraw/zinc/79/97/33/390799733.db2.gz YUFDZNQCMBDNFY-ZIAGYGMSSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000572732188 390799735 /nfs/dbraw/zinc/79/97/35/390799735.db2.gz YUFDZNQCMBDNFY-ZIAGYGMSSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000572732188 390799738 /nfs/dbraw/zinc/79/97/38/390799738.db2.gz YUFDZNQCMBDNFY-ZIAGYGMSSA-N 2 2 288.432 0.672 20 0 CCADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC[C@H](O)C[NH+]1CCOCC1 ZINC000572869859 390808161 /nfs/dbraw/zinc/80/81/61/390808161.db2.gz UFIHKNWJVJBSDH-PMPSAXMXSA-N 2 2 299.459 0.390 20 0 CCADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC[C@H](O)C[NH+]1CCOCC1 ZINC000572869859 390808163 /nfs/dbraw/zinc/80/81/63/390808163.db2.gz UFIHKNWJVJBSDH-PMPSAXMXSA-N 2 2 299.459 0.390 20 0 CCADLP C[C@H](CC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)n1cc[nH+]c1 ZINC000571458336 390737057 /nfs/dbraw/zinc/73/70/57/390737057.db2.gz YHUDQOAQKBKGEU-KGLIPLIRSA-N 2 2 291.399 0.340 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@@H](CO)C2CCOCC2)n1C ZINC000571581883 390743369 /nfs/dbraw/zinc/74/33/69/390743369.db2.gz KJHMYSPGHFILTI-ZDUSSCGKSA-N 2 2 253.346 0.606 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])c2cscn2)C[C@@H]1C ZINC000578190157 390869161 /nfs/dbraw/zinc/86/91/61/390869161.db2.gz XGERCTHDOKNNNK-JQWIXIFHSA-N 2 2 298.412 0.322 20 0 CCADLP COCC[N@H+]1CCN(C(=O)[C@@H]([NH3+])c2cscn2)C[C@@H]1C ZINC000578190157 390869164 /nfs/dbraw/zinc/86/91/64/390869164.db2.gz XGERCTHDOKNNNK-JQWIXIFHSA-N 2 2 298.412 0.322 20 0 CCADLP C[C@@H](O)[C@H](C)[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000578315983 390876177 /nfs/dbraw/zinc/87/61/77/390876177.db2.gz IQIJCSVLHBTDPN-UONOGXRCSA-N 2 2 293.415 0.348 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCc1ncn(C)n1 ZINC000647327014 390813374 /nfs/dbraw/zinc/81/33/74/390813374.db2.gz RRPAYXFWADOEDO-DGCLKSJQSA-N 2 2 263.389 0.820 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCc1ncn(C)n1 ZINC000647327014 390813375 /nfs/dbraw/zinc/81/33/75/390813375.db2.gz RRPAYXFWADOEDO-DGCLKSJQSA-N 2 2 263.389 0.820 20 0 CCADLP Cc1nc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc(N(C)C)[nH+]1 ZINC000574907417 390823836 /nfs/dbraw/zinc/82/38/36/390823836.db2.gz DCAVZLWUHPRXJD-GHMZBOCLSA-N 2 2 262.361 0.292 20 0 CCADLP Cc1nc(N(C)C)nc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)[nH+]1 ZINC000574907417 390823837 /nfs/dbraw/zinc/82/38/37/390823837.db2.gz DCAVZLWUHPRXJD-GHMZBOCLSA-N 2 2 262.361 0.292 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1C[N@H+](Cc2ccc(-n3cncn3)cc2)CCO1 ZINC000647508722 390825988 /nfs/dbraw/zinc/82/59/88/390825988.db2.gz ZSHXZTAJJUPGOE-DOMZBBRYSA-N 2 2 287.367 0.815 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](Cc2ccc(-n3cncn3)cc2)CCO1 ZINC000647508722 390825992 /nfs/dbraw/zinc/82/59/92/390825992.db2.gz ZSHXZTAJJUPGOE-DOMZBBRYSA-N 2 2 287.367 0.815 20 0 CCADLP Nc1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cn1 ZINC000647513084 390827331 /nfs/dbraw/zinc/82/73/31/390827331.db2.gz ANNQKLVQOPFLEP-UHFFFAOYSA-N 2 2 289.427 0.708 20 0 CCADLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)[C@@H](O)C(F)(F)F ZINC000647515078 390827770 /nfs/dbraw/zinc/82/77/70/390827770.db2.gz ONUBCXIWXRGSEI-UJNFCWOMSA-N 2 2 270.295 0.343 20 0 CCADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)[C@@H](O)C(F)(F)F ZINC000647515078 390827773 /nfs/dbraw/zinc/82/77/73/390827773.db2.gz ONUBCXIWXRGSEI-UJNFCWOMSA-N 2 2 270.295 0.343 20 0 CCADLP C[N@H+](CC(C)(C)[NH3+])[C@H]1CCN(CC(F)(F)F)C1=O ZINC000647516458 390829035 /nfs/dbraw/zinc/82/90/35/390829035.db2.gz WHLCRFIHUCBTSV-QMMMGPOBSA-N 2 2 267.295 0.819 20 0 CCADLP C[N@@H+](CC(C)(C)[NH3+])[C@H]1CCN(CC(F)(F)F)C1=O ZINC000647516458 390829038 /nfs/dbraw/zinc/82/90/38/390829038.db2.gz WHLCRFIHUCBTSV-QMMMGPOBSA-N 2 2 267.295 0.819 20 0 CCADLP CC[C@@H](O)C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000647517315 390829387 /nfs/dbraw/zinc/82/93/87/390829387.db2.gz DQFQILCOYUPMGS-HZPDHXFCSA-N 2 2 278.396 0.766 20 0 CCADLP CC[C@@H](O)C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000647517315 390829391 /nfs/dbraw/zinc/82/93/91/390829391.db2.gz DQFQILCOYUPMGS-HZPDHXFCSA-N 2 2 278.396 0.766 20 0 CCADLP Cc1nn2c(CN3CC[N@@H+](C)C[C@@H]3C[NH3+])c(C)nc2s1 ZINC000647539557 390837617 /nfs/dbraw/zinc/83/76/17/390837617.db2.gz PGZWTIVFDVRBRB-NSHDSACASA-N 2 2 294.428 0.482 20 0 CCADLP Cc1nn2c(CN3CC[N@H+](C)C[C@@H]3C[NH3+])c(C)nc2s1 ZINC000647539557 390837618 /nfs/dbraw/zinc/83/76/18/390837618.db2.gz PGZWTIVFDVRBRB-NSHDSACASA-N 2 2 294.428 0.482 20 0 CCADLP CN(C)c1ncc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])s1 ZINC000647539347 390837742 /nfs/dbraw/zinc/83/77/42/390837742.db2.gz VFPZJXFUJZOQSN-JTQLQIEISA-N 2 2 269.418 0.284 20 0 CCADLP CN(C)c1ncc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])s1 ZINC000647539347 390837744 /nfs/dbraw/zinc/83/77/44/390837744.db2.gz VFPZJXFUJZOQSN-JTQLQIEISA-N 2 2 269.418 0.284 20 0 CCADLP C[C@H]1C[NH2+]C[C@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)C1 ZINC000647550838 390839928 /nfs/dbraw/zinc/83/99/28/390839928.db2.gz KUFXJEMYLSDUDT-GDBMZVCRSA-N 3 2 282.476 0.848 20 0 CCADLP C[C@H]1C[NH2+]C[C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)C1 ZINC000647550838 390839930 /nfs/dbraw/zinc/83/99/30/390839930.db2.gz KUFXJEMYLSDUDT-GDBMZVCRSA-N 3 2 282.476 0.848 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000647548158 390839933 /nfs/dbraw/zinc/83/99/33/390839933.db2.gz WYSHJVBQZNJJDT-JWMHWRSXSA-N 3 2 280.460 0.790 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C1 ZINC000647548158 390839934 /nfs/dbraw/zinc/83/99/34/390839934.db2.gz WYSHJVBQZNJJDT-JWMHWRSXSA-N 3 2 280.460 0.790 20 0 CCADLP O=C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NCc1cccnc1 ZINC000578537481 390890712 /nfs/dbraw/zinc/89/07/12/390890712.db2.gz AMTAVDFQFKRIDV-INIZCTEOSA-N 2 2 288.395 0.773 20 0 CCADLP O=C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NCc1cccnc1 ZINC000578537481 390890719 /nfs/dbraw/zinc/89/07/19/390890719.db2.gz AMTAVDFQFKRIDV-INIZCTEOSA-N 2 2 288.395 0.773 20 0 CCADLP C[N@H+]1CCc2nc(NC(=O)CCOC3C[NH2+]C3)sc2C1 ZINC000578864054 390905056 /nfs/dbraw/zinc/90/50/56/390905056.db2.gz VUTNVSORCNTZDG-UHFFFAOYSA-N 2 2 296.396 0.448 20 0 CCADLP CC(C)OCC[C@@H](O)C[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000578882295 390905937 /nfs/dbraw/zinc/90/59/37/390905937.db2.gz ZNJFLTUFQCFSKE-HUUCEWRRSA-N 2 2 288.432 0.720 20 0 CCADLP COC(=O)CC1CC([NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000424314707 533324259 /nfs/dbraw/zinc/32/42/59/533324259.db2.gz PABMMOYNUXWSBV-WXRRBKDZSA-N 2 2 297.399 0.258 20 0 CCADLP COC(=O)CC1CC([NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)C1 ZINC000424314707 533324263 /nfs/dbraw/zinc/32/42/63/533324263.db2.gz PABMMOYNUXWSBV-WXRRBKDZSA-N 2 2 297.399 0.258 20 0 CCADLP OC[C@]1([NH2+]CCn2cc[nH+]c2)COc2ccccc2C1 ZINC000528645302 285423856 /nfs/dbraw/zinc/42/38/56/285423856.db2.gz MNILKJVJHJXXPE-HNNXBMFYSA-N 2 2 273.336 0.839 20 0 CCADLP Cc1cc(NC(=O)[C@H](C)[NH2+]CC2([NH3+])CCC2)on1 ZINC000342134626 130293330 /nfs/dbraw/zinc/29/33/30/130293330.db2.gz KSYVAMFWMWVNIK-VIFPVBQESA-N 2 2 252.318 0.781 20 0 CCADLP C[C@@H](C(=O)NCc1ccc[nH+]c1N1CCOCC1)[C@H](C)[NH3+] ZINC000192094829 130370018 /nfs/dbraw/zinc/37/00/18/130370018.db2.gz OUXIOSYCNFCXCN-NEPJUHHUSA-N 2 2 292.383 0.518 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000192109478 130373478 /nfs/dbraw/zinc/37/34/78/130373478.db2.gz JEXOZRKYIJBJEJ-WDEREUQCSA-N 2 2 257.378 0.197 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000192109478 130373482 /nfs/dbraw/zinc/37/34/82/130373482.db2.gz JEXOZRKYIJBJEJ-WDEREUQCSA-N 2 2 257.378 0.197 20 0 CCADLP C[C@H](C[NH3+])N(C)C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000237643784 131050364 /nfs/dbraw/zinc/05/03/64/131050364.db2.gz RLBDOKBOOFRWFH-SNVBAGLBSA-N 2 2 259.313 0.687 20 0 CCADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[NH2+]CC1 ZINC000237883452 131062866 /nfs/dbraw/zinc/06/28/66/131062866.db2.gz ABOPFOQGKWSPBX-UHFFFAOYSA-N 2 2 270.336 0.977 20 0 CCADLP [NH3+]C[C@H](NC(=O)c1ccnc(-n2cc[nH+]c2)c1)C1CC1 ZINC000237926810 131066846 /nfs/dbraw/zinc/06/68/46/131066846.db2.gz JKPXQPNZRWZCNC-LBPRGKRZSA-N 2 2 271.324 0.734 20 0 CCADLP O=C(NCC[NH+]1CCOCC1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000250881372 131127824 /nfs/dbraw/zinc/12/78/24/131127824.db2.gz VLXSOGYXOOCDRE-MJBXVCDLSA-N 2 2 281.400 0.356 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000253200078 131141036 /nfs/dbraw/zinc/14/10/36/131141036.db2.gz WWNRZRJQCXEUOS-IGQOVBAYSA-N 2 2 283.416 0.539 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000253200078 131141038 /nfs/dbraw/zinc/14/10/38/131141038.db2.gz WWNRZRJQCXEUOS-IGQOVBAYSA-N 2 2 283.416 0.539 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)c[nH+]1 ZINC000261604718 131156627 /nfs/dbraw/zinc/15/66/27/131156627.db2.gz AKOGWDCBUFEMID-NEPJUHHUSA-N 2 2 278.356 0.270 20 0 CCADLP [NH3+][C@H](C(=O)NCCCNc1cccc[nH+]1)C1CCOCC1 ZINC000261892625 131176159 /nfs/dbraw/zinc/17/61/59/131176159.db2.gz VRSZMJGJMCAHMC-AWEZNQCLSA-N 2 2 292.383 0.754 20 0 CCADLP [NH3+]CCC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000262690786 131251522 /nfs/dbraw/zinc/25/15/22/131251522.db2.gz ZHGBLZGXTJKZHG-HNNXBMFYSA-N 2 2 291.395 0.395 20 0 CCADLP C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000262860084 131268895 /nfs/dbraw/zinc/26/88/95/131268895.db2.gz TYWUBNDTZWKSNP-WCQYABFASA-N 2 2 285.351 0.995 20 0 CCADLP CNC(=O)C[NH+]1CCC(Nc2[nH+]cnc3[nH]ccc32)CC1 ZINC000263820709 131339681 /nfs/dbraw/zinc/33/96/81/131339681.db2.gz XVFVCDLBBDZHLU-UHFFFAOYSA-N 2 2 288.355 0.580 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](CCc2ccccn2)CC1 ZINC000263913981 131359365 /nfs/dbraw/zinc/35/93/65/131359365.db2.gz WZTLHUQOQVRUDS-UHFFFAOYSA-N 2 2 276.384 0.330 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000264033676 131383685 /nfs/dbraw/zinc/38/36/85/131383685.db2.gz STTNZHUQCTYDJY-NWDGAFQWSA-N 2 2 265.361 0.617 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cnn(C)c1 ZINC000268929725 132089608 /nfs/dbraw/zinc/08/96/08/132089608.db2.gz QMNJKMPDMVSIIH-AAEUAGOBSA-N 2 2 279.388 0.411 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cnn(C)c1 ZINC000268929725 132089609 /nfs/dbraw/zinc/08/96/09/132089609.db2.gz QMNJKMPDMVSIIH-AAEUAGOBSA-N 2 2 279.388 0.411 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cnn(C)c1 ZINC000268929729 132090055 /nfs/dbraw/zinc/09/00/55/132090055.db2.gz QMNJKMPDMVSIIH-WCQYABFASA-N 2 2 279.388 0.411 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cnn(C)c1 ZINC000268929729 132090057 /nfs/dbraw/zinc/09/00/57/132090057.db2.gz QMNJKMPDMVSIIH-WCQYABFASA-N 2 2 279.388 0.411 20 0 CCADLP Cc1cn2cc(NC(=O)[C@H]3C[NH2+]CCO3)ccc2[nH+]1 ZINC000269251406 132142721 /nfs/dbraw/zinc/14/27/21/132142721.db2.gz PVNWLJAKLKPNTE-LLVKDONJSA-N 2 2 260.297 0.570 20 0 CCADLP C[NH+](C)CCc1ccc(NC(=O)[C@@H]2COCC[NH2+]2)cc1 ZINC000269254002 132143262 /nfs/dbraw/zinc/14/32/62/132143262.db2.gz RBYUSEJEOLVSNN-AWEZNQCLSA-N 2 2 277.368 0.718 20 0 CCADLP CCn1ncc(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])n1 ZINC000530214157 285571977 /nfs/dbraw/zinc/57/19/77/285571977.db2.gz YOHPNBFNVJYQRN-ZMLRMANQSA-N 2 2 253.350 0.140 20 0 CCADLP Cn1ncnc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530239098 285580785 /nfs/dbraw/zinc/58/07/85/285580785.db2.gz CMDBNEJPSYRMLG-ZDUSSCGKSA-N 2 2 279.388 0.406 20 0 CCADLP CCOC(=O)C1([C@H](C)[NH2+]CC(F)(F)CO)CC[NH2+]CC1 ZINC000423050091 285664679 /nfs/dbraw/zinc/66/46/79/285664679.db2.gz LGRCWOYCHWGLTP-JTQLQIEISA-N 2 2 294.342 0.525 20 0 CCADLP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)C[NH+](C)C)CC[NH2+]CC1 ZINC000423110619 285665198 /nfs/dbraw/zinc/66/51/98/285665198.db2.gz PJFOVTBRDYTYMP-STQMWFEESA-N 3 2 285.432 0.848 20 0 CCADLP CC[C@H](Cn1cncn1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658294008 413116567 /nfs/dbraw/zinc/11/65/67/413116567.db2.gz DSISMOOVKJUAOR-HIFRSBDPSA-N 2 2 293.415 0.900 20 0 CCADLP C[C@H]([NH3+])CC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000037607681 397382622 /nfs/dbraw/zinc/38/26/22/397382622.db2.gz BMBVTVORYNONCI-NSHDSACASA-N 2 2 262.357 0.904 20 0 CCADLP [NH3+][C@@H]1CN(CC[NH+]2CCOCC2)C[C@H]1c1ccccc1 ZINC000262108151 143938255 /nfs/dbraw/zinc/93/82/55/143938255.db2.gz ZTZTWINREOVUHF-JKSUJKDBSA-N 2 2 275.396 0.745 20 0 CCADLP COc1ccc(C[N@H+](C)C[C@@H](O)C[NH+](C)C2CC2)cn1 ZINC000685569173 545837903 /nfs/dbraw/zinc/83/79/03/545837903.db2.gz YQEGLZHBGDVORJ-CQSZACIVSA-N 2 2 279.384 0.977 20 0 CCADLP COc1ccc(C[N@@H+](C)C[C@@H](O)C[NH+](C)C2CC2)cn1 ZINC000685569173 545837908 /nfs/dbraw/zinc/83/79/08/545837908.db2.gz YQEGLZHBGDVORJ-CQSZACIVSA-N 2 2 279.384 0.977 20 0 CCADLP C[C@H]([NH3+])CC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000040858272 397394715 /nfs/dbraw/zinc/39/47/15/397394715.db2.gz RQLVPMPEQAMAGJ-RYUDHWBXSA-N 2 2 297.424 0.975 20 0 CCADLP [NH3+]CCOCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000357078998 144057856 /nfs/dbraw/zinc/05/78/56/144057856.db2.gz KVJXTGVLZADAEA-CYBMUJFWSA-N 3 2 264.373 0.791 20 0 CCADLP [NH3+]CCOCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000357078998 144057858 /nfs/dbraw/zinc/05/78/58/144057858.db2.gz KVJXTGVLZADAEA-CYBMUJFWSA-N 3 2 264.373 0.791 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC[NH+](CCOCC[NH3+])CC2)CCO1 ZINC000357083339 144058504 /nfs/dbraw/zinc/05/85/04/144058504.db2.gz OYSHMFKVOQSRIQ-CYBMUJFWSA-N 3 2 271.405 0.147 20 0 CCADLP C[C@@H]1C[N@H+](C2CC[NH+](CCOCC[NH3+])CC2)CCO1 ZINC000357083339 144058505 /nfs/dbraw/zinc/05/85/05/144058505.db2.gz OYSHMFKVOQSRIQ-CYBMUJFWSA-N 3 2 271.405 0.147 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357088855 144059028 /nfs/dbraw/zinc/05/90/28/144059028.db2.gz TXPNINJGNSMLSF-AVGNSLFASA-N 2 2 296.415 0.398 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357088855 144059029 /nfs/dbraw/zinc/05/90/29/144059029.db2.gz TXPNINJGNSMLSF-AVGNSLFASA-N 2 2 296.415 0.398 20 0 CCADLP CN(C)c1nccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000357119620 144062401 /nfs/dbraw/zinc/06/24/01/144062401.db2.gz LTRIAJLQCRAPLB-RYUDHWBXSA-N 2 2 261.373 0.584 20 0 CCADLP CN(C)c1nccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000357119620 144062402 /nfs/dbraw/zinc/06/24/02/144062402.db2.gz LTRIAJLQCRAPLB-RYUDHWBXSA-N 2 2 261.373 0.584 20 0 CCADLP COC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000357237124 144071850 /nfs/dbraw/zinc/07/18/50/144071850.db2.gz GHMJCYSDMFRULG-AWEZNQCLSA-N 2 2 293.367 0.010 20 0 CCADLP C[NH+](C)CC1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000357314937 144081582 /nfs/dbraw/zinc/08/15/82/144081582.db2.gz ZVIRSRWAGJZIMV-UHFFFAOYSA-N 3 2 282.432 0.034 20 0 CCADLP C[C@H](C(=O)N1CCC[C@@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000357535194 144098604 /nfs/dbraw/zinc/09/86/04/144098604.db2.gz YXRNJWGDVLHBFG-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CCOCCOC[C@H](O)C[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000357848261 144126224 /nfs/dbraw/zinc/12/62/24/144126224.db2.gz KEEAKVXNZGNIAX-MCIONIFRSA-N 2 2 274.405 0.330 20 0 CCADLP CCOCCOC[C@H](O)C[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000357848261 144126225 /nfs/dbraw/zinc/12/62/25/144126225.db2.gz KEEAKVXNZGNIAX-MCIONIFRSA-N 2 2 274.405 0.330 20 0 CCADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000357905054 144131630 /nfs/dbraw/zinc/13/16/30/144131630.db2.gz CCMNMLKXYVUSJS-KBPBESRZSA-N 2 2 286.335 0.211 20 0 CCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000357933862 144134785 /nfs/dbraw/zinc/13/47/85/144134785.db2.gz YYRDYXFSMUOJIG-STQMWFEESA-N 2 2 290.367 0.021 20 0 CCADLP Cc1cccn2c(CN3CCO[C@H](C[NH3+])C3)c[nH+]c12 ZINC000357964803 144137998 /nfs/dbraw/zinc/13/79/98/144137998.db2.gz JTZUBMBXHZXSEE-CYBMUJFWSA-N 2 2 260.341 0.802 20 0 CCADLP COc1cccc(C(=O)NCC[NH2+][C@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000358019857 144142150 /nfs/dbraw/zinc/14/21/50/144142150.db2.gz DTIFRPQEHNICAT-DOMZBBRYSA-N 2 2 291.395 0.965 20 0 CCADLP COc1cccc(C(=O)NCC[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000358019857 144142152 /nfs/dbraw/zinc/14/21/52/144142152.db2.gz DTIFRPQEHNICAT-DOMZBBRYSA-N 2 2 291.395 0.965 20 0 CCADLP COc1ccc(C[NH+](C)C[C@@H](O)C[N@H+](C)C2CC2)cn1 ZINC000685569173 545837916 /nfs/dbraw/zinc/83/79/16/545837916.db2.gz YQEGLZHBGDVORJ-CQSZACIVSA-N 2 2 279.384 0.977 20 0 CCADLP CCc1ncc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)s1 ZINC000358127696 144155384 /nfs/dbraw/zinc/15/53/84/144155384.db2.gz BVVGUIHHAIKLNH-LBPRGKRZSA-N 2 2 255.387 0.862 20 0 CCADLP CCc1ncc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)s1 ZINC000358127696 144155385 /nfs/dbraw/zinc/15/53/85/144155385.db2.gz BVVGUIHHAIKLNH-LBPRGKRZSA-N 2 2 255.387 0.862 20 0 CCADLP COc1ccc(C[NH+](C)C[C@@H](O)C[N@@H+](C)C2CC2)cn1 ZINC000685569173 545837924 /nfs/dbraw/zinc/83/79/24/545837924.db2.gz YQEGLZHBGDVORJ-CQSZACIVSA-N 2 2 279.384 0.977 20 0 CCADLP COCc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)o1 ZINC000358134345 144155717 /nfs/dbraw/zinc/15/57/17/144155717.db2.gz IWCQSRZKDZIWPC-ZDUSSCGKSA-N 2 2 254.330 0.582 20 0 CCADLP COCc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)o1 ZINC000358134345 144155718 /nfs/dbraw/zinc/15/57/18/144155718.db2.gz IWCQSRZKDZIWPC-ZDUSSCGKSA-N 2 2 254.330 0.582 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[NH+](C)[C@@H](C)C2)C1 ZINC000358692932 144173228 /nfs/dbraw/zinc/17/32/28/144173228.db2.gz ZEBWBTIHKQFXGF-FRRDWIJNSA-N 2 2 269.389 0.258 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[NH+](C)[C@@H](C)C2)C1 ZINC000358692932 144173229 /nfs/dbraw/zinc/17/32/29/144173229.db2.gz ZEBWBTIHKQFXGF-FRRDWIJNSA-N 2 2 269.389 0.258 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)C1 ZINC000358692932 144173230 /nfs/dbraw/zinc/17/32/30/144173230.db2.gz ZEBWBTIHKQFXGF-FRRDWIJNSA-N 2 2 269.389 0.258 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)C1 ZINC000358692932 144173231 /nfs/dbraw/zinc/17/32/31/144173231.db2.gz ZEBWBTIHKQFXGF-FRRDWIJNSA-N 2 2 269.389 0.258 20 0 CCADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCSC[C@H]1C(N)=O ZINC000358831156 144182059 /nfs/dbraw/zinc/18/20/59/144182059.db2.gz PXLFPIZKODAYJX-LBPRGKRZSA-N 2 2 282.413 0.874 20 0 CCADLP Cc1[nH+]ccn1CCCC[N@H+]1CCSC[C@H]1C(N)=O ZINC000358831156 144182060 /nfs/dbraw/zinc/18/20/60/144182060.db2.gz PXLFPIZKODAYJX-LBPRGKRZSA-N 2 2 282.413 0.874 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCO[C@H](C(C)C)C1 ZINC000381115826 397484640 /nfs/dbraw/zinc/48/46/40/397484640.db2.gz DAQPPPKMZUYQRL-GJZGRUSLSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCO[C@H](C(C)C)C1 ZINC000381115826 397484643 /nfs/dbraw/zinc/48/46/43/397484643.db2.gz DAQPPPKMZUYQRL-GJZGRUSLSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCO[C@H](C(C)C)C1 ZINC000381115826 397484645 /nfs/dbraw/zinc/48/46/45/397484645.db2.gz DAQPPPKMZUYQRL-GJZGRUSLSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCO[C@H](C(C)C)C1 ZINC000381115826 397484648 /nfs/dbraw/zinc/48/46/48/397484648.db2.gz DAQPPPKMZUYQRL-GJZGRUSLSA-N 2 2 288.432 0.672 20 0 CCADLP CCn1cc[nH+]c1CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000369238848 144259817 /nfs/dbraw/zinc/25/98/17/144259817.db2.gz SMVKQBBCLFNXKZ-KGLIPLIRSA-N 2 2 278.400 0.934 20 0 CCADLP C[C@H](O)CCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369373233 144266199 /nfs/dbraw/zinc/26/61/99/144266199.db2.gz OEIAZGQAIDUTLK-STQMWFEESA-N 2 2 298.431 0.225 20 0 CCADLP C[C@H](O)CCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369373233 144266201 /nfs/dbraw/zinc/26/62/01/144266201.db2.gz OEIAZGQAIDUTLK-STQMWFEESA-N 2 2 298.431 0.225 20 0 CCADLP COC[C@@H](C)OC[C@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000370635850 144310954 /nfs/dbraw/zinc/31/09/54/144310954.db2.gz RABRJSWHJYPWRX-UKRRQHHQSA-N 2 2 297.399 0.932 20 0 CCADLP COC[C@@H](C)OC[C@@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000370635849 144311114 /nfs/dbraw/zinc/31/11/14/144311114.db2.gz RABRJSWHJYPWRX-HIFRSBDPSA-N 2 2 297.399 0.932 20 0 CCADLP CCNC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000371303619 144326495 /nfs/dbraw/zinc/32/64/95/144326495.db2.gz PIDFLQKPKYHWRQ-UONOGXRCSA-N 2 2 282.432 0.080 20 0 CCADLP Cn1nccc1C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000371418147 144330970 /nfs/dbraw/zinc/33/09/70/144330970.db2.gz BUIBGCSVKQHHHS-HNNXBMFYSA-N 2 2 277.416 0.632 20 0 CCADLP Cn1nccc1C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000371418147 144330973 /nfs/dbraw/zinc/33/09/73/144330973.db2.gz BUIBGCSVKQHHHS-HNNXBMFYSA-N 2 2 277.416 0.632 20 0 CCADLP O=C1NCCN1[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000371481373 144333021 /nfs/dbraw/zinc/33/30/21/144333021.db2.gz VEHYOVUECMCICV-CYBMUJFWSA-N 2 2 277.372 0.763 20 0 CCADLP O=C1NCCN1[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000371481373 144333022 /nfs/dbraw/zinc/33/30/22/144333022.db2.gz VEHYOVUECMCICV-CYBMUJFWSA-N 2 2 277.372 0.763 20 0 CCADLP C[NH+](C)C/C=C/C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000372170430 144355904 /nfs/dbraw/zinc/35/59/04/144355904.db2.gz TWHFDEYLAODRGE-FVOPLDGLSA-N 2 2 262.357 0.995 20 0 CCADLP C[C@@H](CN1CCOCC1)[N@H+](C)CCc1c[nH+]cn1C ZINC000459443515 397556192 /nfs/dbraw/zinc/55/61/92/397556192.db2.gz QETSLTUMOCNMAM-ZDUSSCGKSA-N 2 2 266.389 0.615 20 0 CCADLP C[C@@H](CN1CCOCC1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000459443515 397556194 /nfs/dbraw/zinc/55/61/94/397556194.db2.gz QETSLTUMOCNMAM-ZDUSSCGKSA-N 2 2 266.389 0.615 20 0 CCADLP Cn1cc(N2CCC[C@@H]([N@H+](C)CCC[NH3+])C2=O)cn1 ZINC000649410141 397605877 /nfs/dbraw/zinc/60/58/77/397605877.db2.gz SUUQEFLGDAXWGF-GFCCVEGCSA-N 2 2 265.361 0.196 20 0 CCADLP Cn1cc(N2CCC[C@@H]([N@@H+](C)CCC[NH3+])C2=O)cn1 ZINC000649410141 397605880 /nfs/dbraw/zinc/60/58/80/397605880.db2.gz SUUQEFLGDAXWGF-GFCCVEGCSA-N 2 2 265.361 0.196 20 0 CCADLP c1nc(CN2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)cs1 ZINC000649411938 397606844 /nfs/dbraw/zinc/60/68/44/397606844.db2.gz XASKDPLKPXSYSN-LBPRGKRZSA-N 2 2 266.414 0.870 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](Cc2ccc(CO)cc2)CC1=O ZINC000649685846 397656290 /nfs/dbraw/zinc/65/62/90/397656290.db2.gz OFLVSDMFOQASEA-UHFFFAOYSA-N 2 2 291.395 0.385 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](Cc2ccc(CO)cc2)CC1=O ZINC000649685846 397656294 /nfs/dbraw/zinc/65/62/94/397656294.db2.gz OFLVSDMFOQASEA-UHFFFAOYSA-N 2 2 291.395 0.385 20 0 CCADLP C[C@H](CO)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000649803918 397669732 /nfs/dbraw/zinc/66/97/32/397669732.db2.gz SHTLQPNHZSNNQP-CYBMUJFWSA-N 2 2 283.416 0.101 20 0 CCADLP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cc1c[nH+]cn1C ZINC000548256462 286020410 /nfs/dbraw/zinc/02/04/10/286020410.db2.gz CBGLXOVSYLJZLZ-AAEUAGOBSA-N 2 2 264.373 0.761 20 0 CCADLP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)Cc1c[nH+]cn1C ZINC000548256462 286020411 /nfs/dbraw/zinc/02/04/11/286020411.db2.gz CBGLXOVSYLJZLZ-AAEUAGOBSA-N 2 2 264.373 0.761 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC000548257072 286020489 /nfs/dbraw/zinc/02/04/89/286020489.db2.gz XOZQCNARSSVSRY-UHFFFAOYSA-N 2 2 268.361 0.047 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC000548257072 286020490 /nfs/dbraw/zinc/02/04/90/286020490.db2.gz XOZQCNARSSVSRY-UHFFFAOYSA-N 2 2 268.361 0.047 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000548519328 286045405 /nfs/dbraw/zinc/04/54/05/286045405.db2.gz JBTICINNJKTYPD-JSGCOSHPSA-N 2 2 276.384 0.905 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000548519328 286045407 /nfs/dbraw/zinc/04/54/07/286045407.db2.gz JBTICINNJKTYPD-JSGCOSHPSA-N 2 2 276.384 0.905 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420406532 286093846 /nfs/dbraw/zinc/09/38/46/286093846.db2.gz UMPJGSUEVWZDOG-ZIAGYGMSSA-N 2 2 283.416 0.603 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420406532 286093847 /nfs/dbraw/zinc/09/38/47/286093847.db2.gz UMPJGSUEVWZDOG-ZIAGYGMSSA-N 2 2 283.416 0.603 20 0 CCADLP CN(C)S(=O)(=O)CC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000230993396 289248762 /nfs/dbraw/zinc/24/87/62/289248762.db2.gz MNVMUXVCPAAOGI-CHWSQXEVSA-N 2 2 283.397 0.612 20 0 CCADLP CC(C)[NH2+]CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000659314785 413404789 /nfs/dbraw/zinc/40/47/89/413404789.db2.gz VHUKRKNGCKCQSC-LBPRGKRZSA-N 2 2 262.357 0.775 20 0 CCADLP C[C@H](C[NH3+])NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000418518030 298539287 /nfs/dbraw/zinc/53/92/87/298539287.db2.gz WZLFMMQISISOCV-CHWSQXEVSA-N 2 2 291.399 0.817 20 0 CCADLP O=C(N[C@@H]1[C@H]2C[N@H+](CCCF)C[C@H]21)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000960398185 649853822 /nfs/dbraw/zinc/85/38/22/649853822.db2.gz TZKDHDAOYYWNFB-SSKLVLDBSA-N 2 2 292.358 0.919 20 0 CCADLP O=C(N[C@@H]1[C@H]2C[N@@H+](CCCF)C[C@H]21)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000960398185 649853820 /nfs/dbraw/zinc/85/38/20/649853820.db2.gz TZKDHDAOYYWNFB-SSKLVLDBSA-N 2 2 292.358 0.919 20 0 CCADLP O=C(N[C@@H]1[C@H]2C[N@@H+](CCCF)C[C@H]21)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000960398185 649853824 /nfs/dbraw/zinc/85/38/24/649853824.db2.gz TZKDHDAOYYWNFB-SSKLVLDBSA-N 2 2 292.358 0.919 20 0 CCADLP c1cn(CCNc2nc(N[C@H]3CCCOC3)cc[nH+]2)c[nH+]1 ZINC000328642173 411759924 /nfs/dbraw/zinc/75/99/24/411759924.db2.gz QXMFEEGZJTWMGV-LBPRGKRZSA-N 2 2 288.355 1.376 20 0 CCADLP [NH3+][C@@H](C(=O)NCCCCn1cc[nH+]c1)C1CCC1 ZINC000399191097 411775232 /nfs/dbraw/zinc/77/52/32/411775232.db2.gz PTUYOHXCEMRCPM-GFCCVEGCSA-N 2 2 250.346 0.907 20 0 CCADLP O=C(N[C@@H]1[C@H]2C[N@H+](CCCF)C[C@H]21)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000960398185 649853825 /nfs/dbraw/zinc/85/38/25/649853825.db2.gz TZKDHDAOYYWNFB-SSKLVLDBSA-N 2 2 292.358 0.919 20 0 CCADLP CC[C@@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000130623008 411722080 /nfs/dbraw/zinc/72/20/80/411722080.db2.gz MVHIXIZGVXKYFT-CQSZACIVSA-N 3 2 296.459 0.790 20 0 CCADLP CCO[C@@H]1CN(Cc2[nH+]ccn2CC)C[C@H]1C[NH3+] ZINC000405753925 411803170 /nfs/dbraw/zinc/80/31/70/411803170.db2.gz DSXMWEORHLPDQI-VXGBXAGGSA-N 2 2 252.362 0.699 20 0 CCADLP CCO[C@@H]1C[N@H+](CC(=O)N2C[C@H](C)C[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000405567236 411803788 /nfs/dbraw/zinc/80/37/88/411803788.db2.gz GPSQPNUKKIOHMV-KBUPBQIOSA-N 2 2 297.443 0.787 20 0 CCADLP CCO[C@@H]1C[N@@H+](CC(=O)N2C[C@H](C)C[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000405567236 411803791 /nfs/dbraw/zinc/80/37/91/411803791.db2.gz GPSQPNUKKIOHMV-KBUPBQIOSA-N 2 2 297.443 0.787 20 0 CCADLP CCCCNC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405859680 411803931 /nfs/dbraw/zinc/80/39/31/411803931.db2.gz MXFFPHKCIHUWBC-VXGBXAGGSA-N 2 2 257.378 0.198 20 0 CCADLP CCCCNC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405859680 411803936 /nfs/dbraw/zinc/80/39/36/411803936.db2.gz MXFFPHKCIHUWBC-VXGBXAGGSA-N 2 2 257.378 0.198 20 0 CCADLP CCO[C@@H]1C[N@H+](CC(=O)N[C@@H](C)C(C)C)C[C@H]1C[NH3+] ZINC000405498752 411804538 /nfs/dbraw/zinc/80/45/38/411804538.db2.gz BVLYAEVKAJUSNU-YNEHKIRRSA-N 2 2 271.405 0.443 20 0 CCADLP CCO[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)C(C)C)C[C@H]1C[NH3+] ZINC000405498752 411804542 /nfs/dbraw/zinc/80/45/42/411804542.db2.gz BVLYAEVKAJUSNU-YNEHKIRRSA-N 2 2 271.405 0.443 20 0 CCADLP COc1cc[nH+]c(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1OC ZINC000405675602 411804651 /nfs/dbraw/zinc/80/46/51/411804651.db2.gz LAHJXOWGJQUHIF-NWDGAFQWSA-N 2 2 293.367 0.350 20 0 CCADLP COc1cc[nH+]c(CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1OC ZINC000405675602 411804653 /nfs/dbraw/zinc/80/46/53/411804653.db2.gz LAHJXOWGJQUHIF-NWDGAFQWSA-N 2 2 293.367 0.350 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407425841 411808649 /nfs/dbraw/zinc/80/86/49/411808649.db2.gz KFSUGYREESVQIR-CHWSQXEVSA-N 2 2 262.357 0.920 20 0 CCADLP NC(=O)[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000651939751 411965104 /nfs/dbraw/zinc/96/51/04/411965104.db2.gz PFQBRAWJXWWNCO-JNSHFYNHSA-N 2 2 288.395 0.900 20 0 CCADLP Cn1nccc1[C@H]1COCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000652363550 412037649 /nfs/dbraw/zinc/03/76/49/412037649.db2.gz HLHZUOOZKGGGGF-TZMCWYRMSA-N 2 2 264.373 0.793 20 0 CCADLP Cn1nccc1[C@H]1COCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000652363550 412037652 /nfs/dbraw/zinc/03/76/52/412037652.db2.gz HLHZUOOZKGGGGF-TZMCWYRMSA-N 2 2 264.373 0.793 20 0 CCADLP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)CCN1CCCCC1 ZINC000652363393 412038441 /nfs/dbraw/zinc/03/84/41/412038441.db2.gz CVWNVGBHQZSDPO-UHFFFAOYSA-N 2 2 282.432 0.226 20 0 CCADLP C[N@H+](CCC(=O)N1CC[NH2+]CC1)CCN1CCCCC1 ZINC000652363393 412038445 /nfs/dbraw/zinc/03/84/45/412038445.db2.gz CVWNVGBHQZSDPO-UHFFFAOYSA-N 2 2 282.432 0.226 20 0 CCADLP CC1(C)C[NH2+]CCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653054109 412201988 /nfs/dbraw/zinc/20/19/88/412201988.db2.gz VYNSMHJPRMSMNQ-UHFFFAOYSA-N 2 2 276.384 0.972 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cccc2c1CCN2 ZINC000653054854 412202115 /nfs/dbraw/zinc/20/21/15/412202115.db2.gz XSMYFSIDAMZBSF-NSHDSACASA-N 2 2 262.357 0.872 20 0 CCADLP C[NH2+]C[C@@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653054699 412202464 /nfs/dbraw/zinc/20/24/64/412202464.db2.gz KZSINGGUMDUVNY-ZDUSSCGKSA-N 2 2 276.384 0.972 20 0 CCADLP C[C@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC[C@H]1[NH3+] ZINC000653051384 412202900 /nfs/dbraw/zinc/20/29/00/412202900.db2.gz YBGZHKHPNRFTSS-WCQYABFASA-N 2 2 276.384 0.958 20 0 CCADLP C[C@@H]1[C@H](C)SCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653092717 412215303 /nfs/dbraw/zinc/21/53/03/412215303.db2.gz JBFYCMXYBWWMFO-VWYCJHECSA-N 2 2 259.419 0.618 20 0 CCADLP COc1ccccc1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653056482 412204263 /nfs/dbraw/zinc/20/42/63/412204263.db2.gz IROPOYCVSPKQEE-JTQLQIEISA-N 2 2 251.330 0.913 20 0 CCADLP CO[C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1ccccc1 ZINC000653064431 412207062 /nfs/dbraw/zinc/20/70/62/412207062.db2.gz ULYUMRNADDCQEI-UONOGXRCSA-N 2 2 279.384 0.769 20 0 CCADLP COc1cccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)c1OC ZINC000653065674 412207807 /nfs/dbraw/zinc/20/78/07/412207807.db2.gz OLMGPOUEQVMBND-GFCCVEGCSA-N 2 2 295.383 0.599 20 0 CCADLP CC(C)COC1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653075951 412209641 /nfs/dbraw/zinc/20/96/41/412209641.db2.gz CTWXSPYWVQGJSO-AWEZNQCLSA-N 2 2 285.432 0.929 20 0 CCADLP C[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C(=O)N1CCCC[C@H]1C ZINC000653081903 412211907 /nfs/dbraw/zinc/21/19/07/412211907.db2.gz CDDZDWYBNRUOMT-FRRDWIJNSA-N 2 2 298.431 0.171 20 0 CCADLP C[C@@H]1CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H]1CC[NH3+] ZINC000653243375 412266551 /nfs/dbraw/zinc/26/65/51/412266551.db2.gz AYEYGHPZSVIMSG-UPJWGTAASA-N 3 2 270.421 0.241 20 0 CCADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N(C)Cc1cnn(C)c1 ZINC000653299561 412285263 /nfs/dbraw/zinc/28/52/63/412285263.db2.gz ZYQIXIPEOKVGQK-WCQYABFASA-N 2 2 279.388 0.190 20 0 CCADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N(C)Cc1cnn(C)c1 ZINC000653299561 412285266 /nfs/dbraw/zinc/28/52/66/412285266.db2.gz ZYQIXIPEOKVGQK-WCQYABFASA-N 2 2 279.388 0.190 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@]1(C)CCCS1 ZINC000653098675 412216736 /nfs/dbraw/zinc/21/67/36/412216736.db2.gz UWTYBEBGHAKPJH-ZYHUDNBSSA-N 2 2 259.419 0.667 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cnn(CC2CC2)c1 ZINC000653098170 412216995 /nfs/dbraw/zinc/21/69/95/412216995.db2.gz CZVTVYGMMDLBMJ-GFCCVEGCSA-N 2 2 265.361 0.511 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC1(CO)CCCCC1 ZINC000653095756 412217458 /nfs/dbraw/zinc/21/74/58/412217458.db2.gz UTORBOWBNJCCCM-GFCCVEGCSA-N 2 2 271.405 0.324 20 0 CCADLP C[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1nc(C(C)(C)C)no1 ZINC000653101825 412218974 /nfs/dbraw/zinc/21/89/74/412218974.db2.gz HMOLYAKCEMPSJI-NXEZZACHSA-N 2 2 297.403 0.823 20 0 CCADLP CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1CC[NH2+]CC1 ZINC000653104690 412220860 /nfs/dbraw/zinc/22/08/60/412220860.db2.gz QERFTNGLWKBELO-CYBMUJFWSA-N 3 2 270.421 0.256 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)CCO1 ZINC000653114809 412225646 /nfs/dbraw/zinc/22/56/46/412225646.db2.gz XIQRVJLOBRHHKN-MRVWCRGKSA-N 2 2 281.400 0.354 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)CCO1 ZINC000653114809 412225647 /nfs/dbraw/zinc/22/56/47/412225647.db2.gz XIQRVJLOBRHHKN-MRVWCRGKSA-N 2 2 281.400 0.354 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C[C@@H]2CCC[C@H]2[NH3+])CCO1 ZINC000653114754 412225959 /nfs/dbraw/zinc/22/59/59/412225959.db2.gz VOCVRGPMXVPZNL-FRRDWIJNSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C[C@@H]2CCC[C@H]2[NH3+])CCO1 ZINC000653114754 412225962 /nfs/dbraw/zinc/22/59/62/412225962.db2.gz VOCVRGPMXVPZNL-FRRDWIJNSA-N 2 2 269.389 0.341 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653116728 412227534 /nfs/dbraw/zinc/22/75/34/412227534.db2.gz QHHVDQQXSTYYJQ-CYBMUJFWSA-N 2 2 283.416 0.603 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653116728 412227537 /nfs/dbraw/zinc/22/75/37/412227537.db2.gz QHHVDQQXSTYYJQ-CYBMUJFWSA-N 2 2 283.416 0.603 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC[N@H+](C)C1CCCC1 ZINC000653117149 412228444 /nfs/dbraw/zinc/22/84/44/412228444.db2.gz BLOCMNLJNWNBSE-ZDUSSCGKSA-N 3 2 270.421 0.256 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000653117149 412228446 /nfs/dbraw/zinc/22/84/46/412228446.db2.gz BLOCMNLJNWNBSE-ZDUSSCGKSA-N 3 2 270.421 0.256 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1nc2cc(F)ccc2[nH]1 ZINC000653119505 412229421 /nfs/dbraw/zinc/22/94/21/412229421.db2.gz LWIAJULSYPWKFC-SNVBAGLBSA-N 2 2 293.346 0.597 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1nc2cc(F)ccc2[nH]1 ZINC000653119504 412229998 /nfs/dbraw/zinc/22/99/98/412229998.db2.gz LWIAJULSYPWKFC-JTQLQIEISA-N 2 2 293.346 0.597 20 0 CCADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653119287 412230161 /nfs/dbraw/zinc/23/01/61/412230161.db2.gz FCLNJDTUAALJQS-ZIAGYGMSSA-N 3 2 284.448 0.360 20 0 CCADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653119287 412230165 /nfs/dbraw/zinc/23/01/65/412230165.db2.gz FCLNJDTUAALJQS-ZIAGYGMSSA-N 3 2 284.448 0.360 20 0 CCADLP C[C@@H](C[NH3+])CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653126076 412234347 /nfs/dbraw/zinc/23/43/47/412234347.db2.gz JWLXODINOSQKKT-JTQLQIEISA-N 2 2 250.346 0.473 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000653133887 412236047 /nfs/dbraw/zinc/23/60/47/412236047.db2.gz FCYXAZXFCOCAOX-GXTWGEPZSA-N 2 2 288.395 0.972 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653131263 412236207 /nfs/dbraw/zinc/23/62/07/412236207.db2.gz CZPXGIMVIPUDSK-DGCLKSJQSA-N 2 2 276.384 0.876 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000653138173 412237385 /nfs/dbraw/zinc/23/73/85/412237385.db2.gz LYRJFNFWUGISNA-LBPRGKRZSA-N 3 2 294.374 0.689 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000653142013 412239347 /nfs/dbraw/zinc/23/93/47/412239347.db2.gz YXDXWMMGRCPNNM-CYBMUJFWSA-N 3 2 292.383 0.386 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCC[NH2+]CC1 ZINC000653148639 412241746 /nfs/dbraw/zinc/24/17/46/412241746.db2.gz GQWBBDGKRYLDON-ZDUSSCGKSA-N 2 2 269.389 0.167 20 0 CCADLP COCCN(Cc1cccnc1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653149776 412242194 /nfs/dbraw/zinc/24/21/94/412242194.db2.gz FHCNIVUUFIEHRR-CQSZACIVSA-N 2 2 294.399 0.336 20 0 CCADLP CC(C)[C@H](O)C1(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653158792 412246818 /nfs/dbraw/zinc/24/68/18/412246818.db2.gz LYUFYGZIBHSRKH-NEPJUHHUSA-N 2 2 271.405 0.179 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H]1C[C@H]1C1CCC1 ZINC000653165927 412249445 /nfs/dbraw/zinc/24/94/45/412249445.db2.gz MIJHOJBGVCBFEM-AVGNSLFASA-N 2 2 253.390 0.818 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCO[C@@H](c2ccco2)C1 ZINC000653175115 412252092 /nfs/dbraw/zinc/25/20/92/412252092.db2.gz OGHUHQKLHFCZDX-DGCLKSJQSA-N 2 2 281.356 0.459 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1COC ZINC000653564730 412319347 /nfs/dbraw/zinc/31/93/47/412319347.db2.gz JVQFLHWBKLMVTO-QWHCGFSZSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1COC ZINC000653564730 412319349 /nfs/dbraw/zinc/31/93/49/412319349.db2.gz JVQFLHWBKLMVTO-QWHCGFSZSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1COC ZINC000653564730 412319351 /nfs/dbraw/zinc/31/93/51/412319351.db2.gz JVQFLHWBKLMVTO-QWHCGFSZSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1COC ZINC000653564730 412319353 /nfs/dbraw/zinc/31/93/53/412319353.db2.gz JVQFLHWBKLMVTO-QWHCGFSZSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@]2(CCOC2)C1 ZINC000653568510 412319887 /nfs/dbraw/zinc/31/98/87/412319887.db2.gz YTZFPNMITBOJEQ-KBPBESRZSA-N 2 2 272.389 0.038 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@]2(CCOC2)C1 ZINC000653568510 412319889 /nfs/dbraw/zinc/31/98/89/412319889.db2.gz YTZFPNMITBOJEQ-KBPBESRZSA-N 2 2 272.389 0.038 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000653568510 412319895 /nfs/dbraw/zinc/31/98/95/412319895.db2.gz YTZFPNMITBOJEQ-KBPBESRZSA-N 2 2 272.389 0.038 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000653568510 412319897 /nfs/dbraw/zinc/31/98/97/412319897.db2.gz YTZFPNMITBOJEQ-KBPBESRZSA-N 2 2 272.389 0.038 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+]([C@@H](C)CN2CCOCC2)CC1 ZINC000653727742 412339449 /nfs/dbraw/zinc/33/94/49/412339449.db2.gz WKEOHMLKHAWYQS-HNNXBMFYSA-N 2 2 299.459 0.532 20 0 CCADLP CN(C)c1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cn1 ZINC000653346098 412292925 /nfs/dbraw/zinc/29/29/25/412292925.db2.gz IMJLMZWKSSRYNG-LLVKDONJSA-N 2 2 265.361 0.365 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1nc(C2CC2)c[nH]1 ZINC000653348326 412293664 /nfs/dbraw/zinc/29/36/64/412293664.db2.gz DFYIGTGKIWSELH-VIFPVBQESA-N 2 2 251.334 0.505 20 0 CCADLP c1cn([C@@H]2COC[C@@H]2[NH2+]Cc2cccc3[nH+]ccn32)nn1 ZINC000284915310 196156606 /nfs/dbraw/zinc/15/66/06/196156606.db2.gz VGFQQARMCHWREV-QWHCGFSZSA-N 2 2 284.323 0.656 20 0 CCADLP CN(C(=O)C(C)(C)CO)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000654773569 412437548 /nfs/dbraw/zinc/43/75/48/412437548.db2.gz BNSCDLRAYFLODF-AWEZNQCLSA-N 2 2 297.443 0.632 20 0 CCADLP CN(C(=O)C(C)(C)CO)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000654773569 412437551 /nfs/dbraw/zinc/43/75/51/412437551.db2.gz BNSCDLRAYFLODF-AWEZNQCLSA-N 2 2 297.443 0.632 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000655038070 412465690 /nfs/dbraw/zinc/46/56/90/412465690.db2.gz KLGMLESMBQEZGR-KBPBESRZSA-N 2 2 283.416 0.506 20 0 CCADLP C[C@@H](CC(=O)NC[C@@]1(O)C[NH+]2CCC1CC2)n1cc[nH+]c1 ZINC000655074255 412474219 /nfs/dbraw/zinc/47/42/19/412474219.db2.gz CUNWWWCKZGNNBR-SWLSCSKDSA-N 2 2 292.383 0.407 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000655105306 412479084 /nfs/dbraw/zinc/47/90/84/412479084.db2.gz VZYCITOGZBJZPO-MDZLAQPJSA-N 2 2 262.357 0.751 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000655105306 412479087 /nfs/dbraw/zinc/47/90/87/412479087.db2.gz VZYCITOGZBJZPO-MDZLAQPJSA-N 2 2 262.357 0.751 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000659434299 413493365 /nfs/dbraw/zinc/49/33/65/413493365.db2.gz KXHKTNKWUKXLSI-SNVBAGLBSA-N 2 2 265.361 0.555 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)NCCCCn1cc[nH+]c1 ZINC000659440279 413502807 /nfs/dbraw/zinc/50/28/07/413502807.db2.gz FZSDRQYDVDXZTO-NSHDSACASA-N 2 2 253.350 0.570 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)NCc1c[nH+]ccc1OC ZINC000659494596 413548862 /nfs/dbraw/zinc/54/88/62/413548862.db2.gz BDLUYKLXFAAXBE-VIFPVBQESA-N 2 2 252.318 0.497 20 0 CCADLP C[C@H](NC(=O)NCCC[NH2+]C1CC1)c1[nH+]ccn1C ZINC000659505752 413564050 /nfs/dbraw/zinc/56/40/50/413564050.db2.gz DZGKNIHEDZCLRQ-JTQLQIEISA-N 2 2 265.361 0.922 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000659509728 413571307 /nfs/dbraw/zinc/57/13/07/413571307.db2.gz HZUNRIPETFVUHW-JTQLQIEISA-N 2 2 251.334 0.551 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000659509728 413571316 /nfs/dbraw/zinc/57/13/16/413571316.db2.gz HZUNRIPETFVUHW-JTQLQIEISA-N 2 2 251.334 0.551 20 0 CCADLP O=S1(=O)CCC([NH2+]CCC[NH+]2CCCC2)CC1 ZINC000035652302 172328902 /nfs/dbraw/zinc/32/89/02/172328902.db2.gz QOKFFTRUHYBSKS-UHFFFAOYSA-N 2 2 260.403 0.639 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC[NH2+]1 ZINC000659543572 413632798 /nfs/dbraw/zinc/63/27/98/413632798.db2.gz QXCAYGFYDBMWHR-RDBSUJKOSA-N 2 2 296.415 0.243 20 0 CCADLP Cc1ccncc1CCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000659565426 413659113 /nfs/dbraw/zinc/65/91/13/413659113.db2.gz ZVQTVBKBNSKIJM-CQSZACIVSA-N 2 2 291.399 0.217 20 0 CCADLP Cc1ccncc1CCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000659565426 413659120 /nfs/dbraw/zinc/65/91/20/413659120.db2.gz ZVQTVBKBNSKIJM-CQSZACIVSA-N 2 2 291.399 0.217 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659536556 413621340 /nfs/dbraw/zinc/62/13/40/413621340.db2.gz IJSBICCCOZAOOW-MCIONIFRSA-N 2 2 296.415 0.101 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000659633684 413734096 /nfs/dbraw/zinc/73/40/96/413734096.db2.gz FHMAYQLRKQNTLV-YNEHKIRRSA-N 2 2 284.404 0.099 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)N[C@H](C)c2[nH+]ccn2C)C1 ZINC000660704746 414453290 /nfs/dbraw/zinc/45/32/90/414453290.db2.gz CKUFHXCEEWEQCH-VXGBXAGGSA-N 2 2 295.387 0.501 20 0 CCADLP C[C@@H](NC(=O)N[C@@H]1CCC[N@H+](C)C1)c1[nH+]ccn1C ZINC000660835385 414498721 /nfs/dbraw/zinc/49/87/21/414498721.db2.gz FHBXUPGREOELHL-GHMZBOCLSA-N 2 2 265.361 0.875 20 0 CCADLP C[C@@H](NC(=O)N[C@@H]1CCC[N@@H+](C)C1)c1[nH+]ccn1C ZINC000660835385 414498722 /nfs/dbraw/zinc/49/87/22/414498722.db2.gz FHBXUPGREOELHL-GHMZBOCLSA-N 2 2 265.361 0.875 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000661068774 414549801 /nfs/dbraw/zinc/54/98/01/414549801.db2.gz DLDKAZQOTGAURW-UHFFFAOYSA-N 2 2 296.415 0.054 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCO[C@@](C)(C2CC2)C1 ZINC000661173439 414573243 /nfs/dbraw/zinc/57/32/43/414573243.db2.gz XYBNJQYXAMSPFB-ZIAGYGMSSA-N 2 2 256.390 0.800 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCO[C@@](C)(C2CC2)C1 ZINC000661173439 414573247 /nfs/dbraw/zinc/57/32/47/414573247.db2.gz XYBNJQYXAMSPFB-ZIAGYGMSSA-N 2 2 256.390 0.800 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661173439 414573250 /nfs/dbraw/zinc/57/32/50/414573250.db2.gz XYBNJQYXAMSPFB-ZIAGYGMSSA-N 2 2 256.390 0.800 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661173439 414573254 /nfs/dbraw/zinc/57/32/54/414573254.db2.gz XYBNJQYXAMSPFB-ZIAGYGMSSA-N 2 2 256.390 0.800 20 0 CCADLP [NH3+]CCN(CC[NH+]1CCOCC1)Cc1ccccc1 ZINC000038033156 174030978 /nfs/dbraw/zinc/03/09/78/174030978.db2.gz UYTTYHYTXOVZSL-UHFFFAOYSA-N 2 2 263.385 0.780 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC2(CCC2)OC[C@@H]1C ZINC000661464192 414630822 /nfs/dbraw/zinc/63/08/22/414630822.db2.gz ZQRLERVUEDZMOP-UONOGXRCSA-N 2 2 286.416 0.569 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC2(CCC2)OC[C@@H]1C ZINC000661464192 414630825 /nfs/dbraw/zinc/63/08/25/414630825.db2.gz ZQRLERVUEDZMOP-UONOGXRCSA-N 2 2 286.416 0.569 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC2(CCC2)OC[C@@H]1C ZINC000661464192 414630828 /nfs/dbraw/zinc/63/08/28/414630828.db2.gz ZQRLERVUEDZMOP-UONOGXRCSA-N 2 2 286.416 0.569 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC2(CCC2)OC[C@@H]1C ZINC000661464192 414630829 /nfs/dbraw/zinc/63/08/29/414630829.db2.gz ZQRLERVUEDZMOP-UONOGXRCSA-N 2 2 286.416 0.569 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)CC1=CCCOC1 ZINC000661653749 414659371 /nfs/dbraw/zinc/65/93/71/414659371.db2.gz SVWFVANJECGWGA-AWEZNQCLSA-N 2 2 272.389 0.204 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)CC1=CCCOC1 ZINC000661653749 414659373 /nfs/dbraw/zinc/65/93/73/414659373.db2.gz SVWFVANJECGWGA-AWEZNQCLSA-N 2 2 272.389 0.204 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)CC1=CCCOC1 ZINC000661653749 414659376 /nfs/dbraw/zinc/65/93/76/414659376.db2.gz SVWFVANJECGWGA-AWEZNQCLSA-N 2 2 272.389 0.204 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)CC1=CCCOC1 ZINC000661653749 414659379 /nfs/dbraw/zinc/65/93/79/414659379.db2.gz SVWFVANJECGWGA-AWEZNQCLSA-N 2 2 272.389 0.204 20 0 CCADLP CC(C)[NH2+]C1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662261961 414702070 /nfs/dbraw/zinc/70/20/70/414702070.db2.gz CPOIYLYOUDRGSQ-AWEZNQCLSA-N 3 2 267.417 0.970 20 0 CCADLP CO[C@H](C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)C1CCC1 ZINC000662267561 414702954 /nfs/dbraw/zinc/70/29/54/414702954.db2.gz VLDNPXJQRVGRLR-LSDHHAIUSA-N 2 2 295.427 0.698 20 0 CCADLP CO[C@H](C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)C1CCC1 ZINC000662267561 414702955 /nfs/dbraw/zinc/70/29/55/414702955.db2.gz VLDNPXJQRVGRLR-LSDHHAIUSA-N 2 2 295.427 0.698 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000662265986 414703002 /nfs/dbraw/zinc/70/30/02/414703002.db2.gz VFQBVPWMQCVMLT-IHRRRGAJSA-N 3 2 253.390 0.439 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000662265986 414703003 /nfs/dbraw/zinc/70/30/03/414703003.db2.gz VFQBVPWMQCVMLT-IHRRRGAJSA-N 3 2 253.390 0.439 20 0 CCADLP Cc1nnc([C@@H](C)[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)[nH]1 ZINC000662274232 414704158 /nfs/dbraw/zinc/70/41/58/414704158.db2.gz SFNVKGNJUGQKBD-PWSUYJOCSA-N 2 2 279.388 0.861 20 0 CCADLP Cc1nnc([C@@H](C)[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)[nH]1 ZINC000662274232 414704159 /nfs/dbraw/zinc/70/41/59/414704159.db2.gz SFNVKGNJUGQKBD-PWSUYJOCSA-N 2 2 279.388 0.861 20 0 CCADLP COCCOCCOCCC[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000662273935 414704164 /nfs/dbraw/zinc/70/41/64/414704164.db2.gz BSIAJCHZGINACN-LSDHHAIUSA-N 2 2 286.416 0.740 20 0 CCADLP COCCOCCOCCC[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000662273935 414704165 /nfs/dbraw/zinc/70/41/65/414704165.db2.gz BSIAJCHZGINACN-LSDHHAIUSA-N 2 2 286.416 0.740 20 0 CCADLP CCN1CC[C@H]([N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)C1=O ZINC000662276289 414704553 /nfs/dbraw/zinc/70/45/53/414704553.db2.gz IUFMDNWBMWEBQL-GXTWGEPZSA-N 2 2 251.374 0.683 20 0 CCADLP CCN1CC[C@H]([N@H+]2CCC[C@]3(CC[NH2+]C3)C2)C1=O ZINC000662276289 414704554 /nfs/dbraw/zinc/70/45/54/414704554.db2.gz IUFMDNWBMWEBQL-GXTWGEPZSA-N 2 2 251.374 0.683 20 0 CCADLP C[N@@H+](Cc1cnc(-c2ccccc2)nc1)C[C@H](O)C[NH3+] ZINC000662277236 414704693 /nfs/dbraw/zinc/70/46/93/414704693.db2.gz NOMBFWXZECOLPL-CQSZACIVSA-N 2 2 272.352 0.895 20 0 CCADLP C[N@H+](Cc1cnc(-c2ccccc2)nc1)C[C@H](O)C[NH3+] ZINC000662277236 414704694 /nfs/dbraw/zinc/70/46/94/414704694.db2.gz NOMBFWXZECOLPL-CQSZACIVSA-N 2 2 272.352 0.895 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](CCO[C@H]2CC2(F)F)CCCO1 ZINC000662281274 414705725 /nfs/dbraw/zinc/70/57/25/414705725.db2.gz MAPUMAVVQCGQDB-UWVGGRQHSA-N 2 2 250.289 0.460 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CCO[C@H]2CC2(F)F)CCCO1 ZINC000662281274 414705726 /nfs/dbraw/zinc/70/57/26/414705726.db2.gz MAPUMAVVQCGQDB-UWVGGRQHSA-N 2 2 250.289 0.460 20 0 CCADLP [NH3+]CC[N@H+](CCCc1cccc(F)c1)C[C@@H](O)CO ZINC000662288572 414707063 /nfs/dbraw/zinc/70/70/63/414707063.db2.gz QOGMOISJUPNQQV-CQSZACIVSA-N 2 2 270.348 0.372 20 0 CCADLP [NH3+]CC[N@@H+](CCCc1cccc(F)c1)C[C@@H](O)CO ZINC000662288572 414707064 /nfs/dbraw/zinc/70/70/64/414707064.db2.gz QOGMOISJUPNQQV-CQSZACIVSA-N 2 2 270.348 0.372 20 0 CCADLP COc1ccc([C@@H](C[NH3+])C[N@H+](C)Cc2cn(C)nn2)cc1 ZINC000662310836 414708903 /nfs/dbraw/zinc/70/89/03/414708903.db2.gz NTBHDCICJHDHCT-ZDUSSCGKSA-N 2 2 289.383 0.998 20 0 CCADLP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)Cc2cn(C)nn2)cc1 ZINC000662310836 414708904 /nfs/dbraw/zinc/70/89/04/414708904.db2.gz NTBHDCICJHDHCT-ZDUSSCGKSA-N 2 2 289.383 0.998 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320992 414709319 /nfs/dbraw/zinc/70/93/19/414709319.db2.gz YTAWLOUISYXUHH-JSGCOSHPSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320992 414709320 /nfs/dbraw/zinc/70/93/20/414709320.db2.gz YTAWLOUISYXUHH-JSGCOSHPSA-N 2 2 283.416 0.696 20 0 CCADLP Cn1cc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cn1 ZINC000662324159 414709804 /nfs/dbraw/zinc/70/98/04/414709804.db2.gz VOBSEBUWKPCTAF-CQSZACIVSA-N 2 2 266.389 0.963 20 0 CCADLP Cn1cc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cn1 ZINC000662324159 414709805 /nfs/dbraw/zinc/70/98/05/414709805.db2.gz VOBSEBUWKPCTAF-CQSZACIVSA-N 2 2 266.389 0.963 20 0 CCADLP C[NH+](C)CCC[C@H]1C[N@H+](C[C@H](O)C(F)(F)F)CCO1 ZINC000662323099 414709880 /nfs/dbraw/zinc/70/98/80/414709880.db2.gz KSSGUAXQZSNPDA-QWRGUYRKSA-N 2 2 284.322 0.952 20 0 CCADLP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@H](O)C(F)(F)F)CCO1 ZINC000662323099 414709881 /nfs/dbraw/zinc/70/98/81/414709881.db2.gz KSSGUAXQZSNPDA-QWRGUYRKSA-N 2 2 284.322 0.952 20 0 CCADLP C[C@@H](NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)c1[nH+]ccn1C ZINC000662091881 414690551 /nfs/dbraw/zinc/69/05/51/414690551.db2.gz NCZZXTMXXSRGML-GRYCIOLGSA-N 2 2 277.372 0.827 20 0 CCADLP C[C@@H](NC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)c1[nH+]ccn1C ZINC000662091881 414690552 /nfs/dbraw/zinc/69/05/52/414690552.db2.gz NCZZXTMXXSRGML-GRYCIOLGSA-N 2 2 277.372 0.827 20 0 CCADLP CC(C)NC(=O)NCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662147363 414693214 /nfs/dbraw/zinc/69/32/14/414693214.db2.gz FADRUQODTHLYBZ-CQSZACIVSA-N 2 2 298.431 0.225 20 0 CCADLP CC(C)NC(=O)NCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662147363 414693215 /nfs/dbraw/zinc/69/32/15/414693215.db2.gz FADRUQODTHLYBZ-CQSZACIVSA-N 2 2 298.431 0.225 20 0 CCADLP CC(C)N1CC[C@@H]([NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1=O ZINC000662154244 414694088 /nfs/dbraw/zinc/69/40/88/414694088.db2.gz GBAXGYMTWUSCQB-HUUCEWRRSA-N 2 2 295.427 0.527 20 0 CCADLP CC(C)N1CC[C@@H]([NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1=O ZINC000662154244 414694089 /nfs/dbraw/zinc/69/40/89/414694089.db2.gz GBAXGYMTWUSCQB-HUUCEWRRSA-N 2 2 295.427 0.527 20 0 CCADLP O[C@H]1CC[N@@H+](C2CC[NH+](CCOC[C@@H]3CCCO3)CC2)C1 ZINC000662158368 414694167 /nfs/dbraw/zinc/69/41/67/414694167.db2.gz SFLFDNWCDZLSOI-HOTGVXAUSA-N 2 2 298.427 0.713 20 0 CCADLP O[C@H]1CC[N@H+](C2CC[NH+](CCOC[C@@H]3CCCO3)CC2)C1 ZINC000662158368 414694168 /nfs/dbraw/zinc/69/41/68/414694168.db2.gz SFLFDNWCDZLSOI-HOTGVXAUSA-N 2 2 298.427 0.713 20 0 CCADLP CN1CCC[C@H]([NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1=O ZINC000662152938 414694474 /nfs/dbraw/zinc/69/44/74/414694474.db2.gz JUXYRHXDAAZGGT-KBPBESRZSA-N 2 2 281.400 0.138 20 0 CCADLP CN1CCC[C@H]([NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)C1=O ZINC000662152938 414694475 /nfs/dbraw/zinc/69/44/75/414694475.db2.gz JUXYRHXDAAZGGT-KBPBESRZSA-N 2 2 281.400 0.138 20 0 CCADLP c1cc([C@@H]2CCC[N@@H+](C[C@H]3C[NH2+]CCO3)C2)n[nH]1 ZINC000662253903 414699646 /nfs/dbraw/zinc/69/96/46/414699646.db2.gz YIBWUKNDYQBAAK-VXGBXAGGSA-N 2 2 250.346 0.578 20 0 CCADLP c1cc([C@@H]2CCC[N@H+](C[C@H]3C[NH2+]CCO3)C2)n[nH]1 ZINC000662253903 414699647 /nfs/dbraw/zinc/69/96/47/414699647.db2.gz YIBWUKNDYQBAAK-VXGBXAGGSA-N 2 2 250.346 0.578 20 0 CCADLP NC(=O)c1ccc(C[N@H+](C[C@H]2C[NH2+]CCO2)C2CC2)cc1 ZINC000662251997 414699771 /nfs/dbraw/zinc/69/97/71/414699771.db2.gz KXUABRIEFKHWRU-OAHLLOKOSA-N 2 2 289.379 0.738 20 0 CCADLP NC(=O)c1ccc(C[N@@H+](C[C@H]2C[NH2+]CCO2)C2CC2)cc1 ZINC000662251997 414699772 /nfs/dbraw/zinc/69/97/72/414699772.db2.gz KXUABRIEFKHWRU-OAHLLOKOSA-N 2 2 289.379 0.738 20 0 CCADLP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662252777 414700149 /nfs/dbraw/zinc/70/01/49/414700149.db2.gz OTHFMYIHCDKIJU-RBSFLKMASA-N 2 2 297.443 0.992 20 0 CCADLP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662252777 414700150 /nfs/dbraw/zinc/70/01/50/414700150.db2.gz OTHFMYIHCDKIJU-RBSFLKMASA-N 2 2 297.443 0.992 20 0 CCADLP CC(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662255103 414700537 /nfs/dbraw/zinc/70/05/37/414700537.db2.gz WMEFQOPQKBNSQJ-UONOGXRCSA-N 2 2 283.416 0.459 20 0 CCADLP CC(C)C(=O)NC[C@@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662255103 414700538 /nfs/dbraw/zinc/70/05/38/414700538.db2.gz WMEFQOPQKBNSQJ-UONOGXRCSA-N 2 2 283.416 0.459 20 0 CCADLP [NH3+][C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC[C@H]1F ZINC000662749429 414759635 /nfs/dbraw/zinc/75/96/35/414759635.db2.gz MAWAWWKASMDGBN-VXGBXAGGSA-N 2 2 289.314 0.779 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1Cc2c[nH]nc2CC(C)(C)C1 ZINC000662761149 414769485 /nfs/dbraw/zinc/76/94/85/414769485.db2.gz PUIKXVJIXLKITR-GFCCVEGCSA-N 2 2 293.415 0.600 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000662380378 414713063 /nfs/dbraw/zinc/71/30/63/414713063.db2.gz KWSFZJRGLJTVBR-LLVKDONJSA-N 2 2 250.346 0.762 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)c1cccc2c1C[NH2+]C2 ZINC000662388234 414713214 /nfs/dbraw/zinc/71/32/14/414713214.db2.gz OMHWFVFPAGQYKO-GFCCVEGCSA-N 2 2 289.379 0.740 20 0 CCADLP Cc1ccn([C@@H](C)CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])n1 ZINC000662430424 414717877 /nfs/dbraw/zinc/71/78/77/414717877.db2.gz WLQGTCJILSCBCP-STQMWFEESA-N 2 2 279.388 0.244 20 0 CCADLP Cc1ccn([C@@H](C)CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])n1 ZINC000662430424 414717878 /nfs/dbraw/zinc/71/78/78/414717878.db2.gz WLQGTCJILSCBCP-STQMWFEESA-N 2 2 279.388 0.244 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662531665 414725797 /nfs/dbraw/zinc/72/57/97/414725797.db2.gz ZQKCLQYJKPHHAO-UHFFFAOYSA-N 2 2 289.339 0.837 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)c1cccc2c1C[NH2+]C2 ZINC000662531353 414725863 /nfs/dbraw/zinc/72/58/63/414725863.db2.gz XDDRUCOLXXJZNV-UHFFFAOYSA-N 2 2 256.309 0.985 20 0 CCADLP Cc1nc(N2CCN(C(=O)C[NH2+]C(C)C)CC2)cc[nH+]1 ZINC000662534366 414726095 /nfs/dbraw/zinc/72/60/95/414726095.db2.gz KZGXPTBSSGVCRE-UHFFFAOYSA-N 2 2 277.372 0.432 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000662586150 414730590 /nfs/dbraw/zinc/73/05/90/414730590.db2.gz PCBORLWCIIRFPQ-ZDUSSCGKSA-N 2 2 288.355 0.803 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000662586150 414730591 /nfs/dbraw/zinc/73/05/91/414730591.db2.gz PCBORLWCIIRFPQ-ZDUSSCGKSA-N 2 2 288.355 0.803 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCc1noc2ccccc21 ZINC000662606711 414732218 /nfs/dbraw/zinc/73/22/18/414732218.db2.gz UXRWEBUVKWYOAR-LBPRGKRZSA-N 2 2 290.367 0.766 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]([NH3+])c2ccccc2)[C@@H](C)CO1 ZINC000662631588 414735059 /nfs/dbraw/zinc/73/50/59/414735059.db2.gz UCXWULXYKARYOH-GZBFAFLISA-N 2 2 291.395 0.912 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]([NH3+])c2ccccc2)[C@@H](C)CO1 ZINC000662631588 414735060 /nfs/dbraw/zinc/73/50/60/414735060.db2.gz UCXWULXYKARYOH-GZBFAFLISA-N 2 2 291.395 0.912 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1ccc(C[NH3+])o1 ZINC000662632281 414735194 /nfs/dbraw/zinc/73/51/94/414735194.db2.gz ZUKVHIFLGNGHQB-MNOVXSKESA-N 2 2 281.356 0.577 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1ccc(C[NH3+])o1 ZINC000662632281 414735195 /nfs/dbraw/zinc/73/51/95/414735195.db2.gz ZUKVHIFLGNGHQB-MNOVXSKESA-N 2 2 281.356 0.577 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)[C@H](C)CO1 ZINC000662633498 414735309 /nfs/dbraw/zinc/73/53/09/414735309.db2.gz LIXSSRDKBFGFCA-NYTXWWLZSA-N 2 2 295.427 0.602 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)[C@H](C)CO1 ZINC000662633498 414735310 /nfs/dbraw/zinc/73/53/10/414735310.db2.gz LIXSSRDKBFGFCA-NYTXWWLZSA-N 2 2 295.427 0.602 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000662633669 414735619 /nfs/dbraw/zinc/73/56/19/414735619.db2.gz NIEISJOGHCUOSM-AWEZNQCLSA-N 3 2 272.437 0.504 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000662633669 414735620 /nfs/dbraw/zinc/73/56/20/414735620.db2.gz NIEISJOGHCUOSM-AWEZNQCLSA-N 3 2 272.437 0.504 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)CC[NH2+]C2CC2)[C@H](C)CO1 ZINC000662634404 414735685 /nfs/dbraw/zinc/73/56/85/414735685.db2.gz RPWOQHRZCMBMMW-VXGBXAGGSA-N 2 2 269.389 0.354 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)CC[NH2+]C2CC2)[C@H](C)CO1 ZINC000662634404 414735686 /nfs/dbraw/zinc/73/56/86/414735686.db2.gz RPWOQHRZCMBMMW-VXGBXAGGSA-N 2 2 269.389 0.354 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)[C@@H](C)CO1 ZINC000662636090 414736164 /nfs/dbraw/zinc/73/61/64/414736164.db2.gz XTUIHJCDIONBOO-MXYBEHONSA-N 2 2 295.427 0.742 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)[C@@H](C)CO1 ZINC000662636090 414736165 /nfs/dbraw/zinc/73/61/65/414736165.db2.gz XTUIHJCDIONBOO-MXYBEHONSA-N 2 2 295.427 0.742 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662654451 414737343 /nfs/dbraw/zinc/73/73/43/414737343.db2.gz CSPMMWCSHBTZJU-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP O=C([C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662656692 414737618 /nfs/dbraw/zinc/73/76/18/414737618.db2.gz RPWZDKPNJXCILU-KKUMJFAQSA-N 2 2 293.411 0.450 20 0 CCADLP [NH3+][C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccc(F)cc1F ZINC000662658898 414738067 /nfs/dbraw/zinc/73/80/67/414738067.db2.gz LTYJHKMJTXFCMS-CYBMUJFWSA-N 2 2 299.321 0.413 20 0 CCADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000662694509 414742294 /nfs/dbraw/zinc/74/22/94/414742294.db2.gz RLDMJJSKWBGHHE-KGLIPLIRSA-N 3 2 284.448 0.502 20 0 CCADLP [NH3+]C1(CC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000662793950 414800840 /nfs/dbraw/zinc/80/08/40/414800840.db2.gz CGSYSAGWDAQLGL-NSHDSACASA-N 2 2 260.341 0.658 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C2([NH2+]C3CC3)CCC2)[C@H](C)CO1 ZINC000662857906 414848546 /nfs/dbraw/zinc/84/85/46/414848546.db2.gz CUUXALQHXFJIBG-CHWSQXEVSA-N 2 2 295.427 0.887 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2([NH2+]C3CC3)CCC2)[C@H](C)CO1 ZINC000662857906 414848551 /nfs/dbraw/zinc/84/85/51/414848551.db2.gz CUUXALQHXFJIBG-CHWSQXEVSA-N 2 2 295.427 0.887 20 0 CCADLP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)[C@H]1CSC[NH2+]1 ZINC000662886108 414869275 /nfs/dbraw/zinc/86/92/75/414869275.db2.gz ZOKLEEIUXROQCN-CHWSQXEVSA-N 2 2 293.392 0.949 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000662900630 414879257 /nfs/dbraw/zinc/87/92/57/414879257.db2.gz RWEPZPIBYYTGTH-MNOVXSKESA-N 2 2 266.345 0.459 20 0 CCADLP C[C@@]1(NC(=O)Cc2cn3c([nH+]2)CCCC3)CC[NH2+]C1 ZINC000663015364 414952834 /nfs/dbraw/zinc/95/28/34/414952834.db2.gz UHBDLVVWVYVNFO-CQSZACIVSA-N 2 2 262.357 0.630 20 0 CCADLP CCN(C(=O)N[C@@H](C)C[NH+]1CCOCC1)[C@H]1CC[N@@H+](C)C1 ZINC000663637910 415100231 /nfs/dbraw/zinc/10/02/31/415100231.db2.gz FOSWWIXBQNMCTQ-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP CCN(C(=O)N[C@@H](C)C[NH+]1CCOCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000663637914 415100373 /nfs/dbraw/zinc/10/03/73/415100373.db2.gz FOSWWIXBQNMCTQ-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP Cc1cc(CO)cc(N2CC[N@H+](CCO)[C@H](C)C2)[nH+]1 ZINC000663823316 415143275 /nfs/dbraw/zinc/14/32/75/415143275.db2.gz PIRRQGWHNNKLNU-GFCCVEGCSA-N 2 2 265.357 0.385 20 0 CCADLP Cc1cc(CO)cc(N2CC[N@@H+](CCO)[C@H](C)C2)[nH+]1 ZINC000663823316 415143283 /nfs/dbraw/zinc/14/32/83/415143283.db2.gz PIRRQGWHNNKLNU-GFCCVEGCSA-N 2 2 265.357 0.385 20 0 CCADLP O=C(NCCNc1cccc[nH+]1)NCCn1cc[nH+]c1 ZINC000043312032 175004275 /nfs/dbraw/zinc/00/42/75/175004275.db2.gz CHAMDQVIJJVIKH-UHFFFAOYSA-N 2 2 274.328 0.689 20 0 CCADLP COCc1nsc(NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000664248188 415300951 /nfs/dbraw/zinc/30/09/51/415300951.db2.gz PKHFMAZBJWKGQV-UHFFFAOYSA-N 2 2 287.433 0.980 20 0 CCADLP COCc1nsc(NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000664248188 415300954 /nfs/dbraw/zinc/30/09/54/415300954.db2.gz PKHFMAZBJWKGQV-UHFFFAOYSA-N 2 2 287.433 0.980 20 0 CCADLP C[C@H](CCNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)[NH+](C)C ZINC000664927078 415490730 /nfs/dbraw/zinc/49/07/30/415490730.db2.gz PGVLOUHXTQPRRX-GHMZBOCLSA-N 2 2 279.388 0.906 20 0 CCADLP C[C@H](CCNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)[NH+](C)C ZINC000664927078 415490735 /nfs/dbraw/zinc/49/07/35/415490735.db2.gz PGVLOUHXTQPRRX-GHMZBOCLSA-N 2 2 279.388 0.906 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c2[nH+]ccn21 ZINC000665049008 415520153 /nfs/dbraw/zinc/52/01/53/415520153.db2.gz ZLVJDFPNUHAPMJ-USZNOCQGSA-N 2 2 293.371 0.205 20 0 CCADLP NC(=O)c1csc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])n1 ZINC000665273554 415584603 /nfs/dbraw/zinc/58/46/03/415584603.db2.gz ZDBQKBWCBPXWIR-YUMQZZPRSA-N 2 2 254.359 0.459 20 0 CCADLP CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277990 415587082 /nfs/dbraw/zinc/58/70/82/415587082.db2.gz ROUBNHKDTKSNSK-ZFQMDJOTSA-N 2 2 272.414 0.684 20 0 CCADLP CCn1nccc1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000665299278 415591791 /nfs/dbraw/zinc/59/17/91/415591791.db2.gz JUTBBLMADWRGLA-UONOGXRCSA-N 2 2 264.373 0.760 20 0 CCADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)S(C)(=O)=O ZINC000665299131 415592351 /nfs/dbraw/zinc/59/23/51/415592351.db2.gz HEQJJIVZMPKOTG-SGMGOOAPSA-N 2 2 284.425 0.968 20 0 CCADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665294586 415592417 /nfs/dbraw/zinc/59/24/17/415592417.db2.gz RIUJSAMPMWLRED-KOLCDFICSA-N 3 2 265.361 0.119 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000353469224 287317353 /nfs/dbraw/zinc/31/73/53/287317353.db2.gz POWCFRWDQODVPQ-CBBWQLFWSA-N 2 2 295.427 0.554 20 0 CCADLP C[C@H]1C[C@H](C(=O)NCCn2cc[nH+]c2)CC[N@@H+]1C ZINC000352707512 227176014 /nfs/dbraw/zinc/17/60/14/227176014.db2.gz SFVYVBRULLTBMA-NWDGAFQWSA-N 2 2 250.346 0.730 20 0 CCADLP C[C@H]1C[C@H](C(=O)NCCn2cc[nH+]c2)CC[N@H+]1C ZINC000352707512 227176020 /nfs/dbraw/zinc/17/60/20/227176020.db2.gz SFVYVBRULLTBMA-NWDGAFQWSA-N 2 2 250.346 0.730 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)NCCn2cc[nH+]c2)CC[N@@H+]1C ZINC000352707511 227176625 /nfs/dbraw/zinc/17/66/25/227176625.db2.gz SFVYVBRULLTBMA-NEPJUHHUSA-N 2 2 250.346 0.730 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)NCCn2cc[nH+]c2)CC[N@H+]1C ZINC000352707511 227176628 /nfs/dbraw/zinc/17/66/28/227176628.db2.gz SFVYVBRULLTBMA-NEPJUHHUSA-N 2 2 250.346 0.730 20 0 CCADLP C(C1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1)[NH+]1CCCC1 ZINC000062036428 544446308 /nfs/dbraw/zinc/44/63/08/544446308.db2.gz PXXNLHUTBCPQLT-HNNXBMFYSA-N 3 2 267.417 0.783 20 0 CCADLP Cc1noc(C)c1[C@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000092339397 544532223 /nfs/dbraw/zinc/53/22/23/544532223.db2.gz SCQVCRGFQJIVRL-JTQLQIEISA-N 2 2 280.372 0.716 20 0 CCADLP C[N@@H+](Cc1ccc2c(c1)OCCO2)C[C@@H]1C[NH2+]CCO1 ZINC000125387600 544591483 /nfs/dbraw/zinc/59/14/83/544591483.db2.gz OWFZWOPJEKWXKA-ZDUSSCGKSA-N 2 2 278.352 0.878 20 0 CCADLP C[N@H+](Cc1ccc2c(c1)OCCO2)C[C@@H]1C[NH2+]CCO1 ZINC000125387600 544591489 /nfs/dbraw/zinc/59/14/89/544591489.db2.gz OWFZWOPJEKWXKA-ZDUSSCGKSA-N 2 2 278.352 0.878 20 0 CCADLP COC[C@H](O)C[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000126282610 544594984 /nfs/dbraw/zinc/59/49/84/544594984.db2.gz VAKIMCNFASYBMZ-TZMCWYRMSA-N 2 2 272.389 0.179 20 0 CCADLP COC[C@H](O)C[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000126282610 544594988 /nfs/dbraw/zinc/59/49/88/544594988.db2.gz VAKIMCNFASYBMZ-TZMCWYRMSA-N 2 2 272.389 0.179 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000134977642 544632558 /nfs/dbraw/zinc/63/25/58/544632558.db2.gz KGISPMHTCZWRGQ-RYUDHWBXSA-N 2 2 257.378 0.162 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000134977642 544632562 /nfs/dbraw/zinc/63/25/62/544632562.db2.gz KGISPMHTCZWRGQ-RYUDHWBXSA-N 2 2 257.378 0.162 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000134977642 544632565 /nfs/dbraw/zinc/63/25/65/544632565.db2.gz KGISPMHTCZWRGQ-RYUDHWBXSA-N 2 2 257.378 0.162 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000134977642 544632569 /nfs/dbraw/zinc/63/25/69/544632569.db2.gz KGISPMHTCZWRGQ-RYUDHWBXSA-N 2 2 257.378 0.162 20 0 CCADLP COC[C@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)C1CC1 ZINC000153361014 544663094 /nfs/dbraw/zinc/66/30/94/544663094.db2.gz VHLKAQBQDBQFCG-JSGCOSHPSA-N 2 2 256.390 0.969 20 0 CCADLP CO[C@H](C[NH3+])C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000227376389 544834523 /nfs/dbraw/zinc/83/45/23/544834523.db2.gz UCIUFOVYOAUFIQ-OLZOCXBDSA-N 2 2 288.351 0.599 20 0 CCADLP COC[C@@H](C)OC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000226043076 544828732 /nfs/dbraw/zinc/82/87/32/544828732.db2.gz CKIOJRWXTLCWEG-FRRDWIJNSA-N 2 2 260.378 0.083 20 0 CCADLP COC[C@@H](C)OC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000226043076 544828735 /nfs/dbraw/zinc/82/87/35/544828735.db2.gz CKIOJRWXTLCWEG-FRRDWIJNSA-N 2 2 260.378 0.083 20 0 CCADLP COc1cc[nH+]c(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c1OC ZINC000232198016 544862907 /nfs/dbraw/zinc/86/29/07/544862907.db2.gz RDPWMFRAJPALIQ-GHMZBOCLSA-N 2 2 263.341 0.750 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)c2ccc(C[NH3+])o2)CC1 ZINC000236807224 544887285 /nfs/dbraw/zinc/88/72/85/544887285.db2.gz ITHNIEZOKXCQAG-UHFFFAOYSA-N 2 2 295.383 0.921 20 0 CCADLP C[NH+](C)[C@@]1(CNC(=O)CCc2c[nH+]c[nH]2)CCSC1 ZINC000279991299 544958225 /nfs/dbraw/zinc/95/82/25/544958225.db2.gz RLNYSCSSIIZDPP-CYBMUJFWSA-N 2 2 282.413 0.896 20 0 CCADLP C[NH+](C)[C@@]1(CNC(=O)CCc2c[nH]c[nH+]2)CCSC1 ZINC000279991299 544958228 /nfs/dbraw/zinc/95/82/28/544958228.db2.gz RLNYSCSSIIZDPP-CYBMUJFWSA-N 2 2 282.413 0.896 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000333786786 545043145 /nfs/dbraw/zinc/04/31/45/545043145.db2.gz FNBMGEPAOADPNM-HZSPNIEDSA-N 2 2 298.431 0.489 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@](C)(CO)c1ccccc1)C1CC1 ZINC000312355835 545013334 /nfs/dbraw/zinc/01/33/34/545013334.db2.gz KOBSRAWJEMOGRK-HZPDHXFCSA-N 2 2 278.396 0.939 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@](C)(CO)c1ccccc1)C1CC1 ZINC000312355835 545013336 /nfs/dbraw/zinc/01/33/36/545013336.db2.gz KOBSRAWJEMOGRK-HZPDHXFCSA-N 2 2 278.396 0.939 20 0 CCADLP CC(C)[C@H](C(=O)NCC[NH+]1CCOCC1)[C@@H](C)[NH3+] ZINC000399468274 269767011 /nfs/dbraw/zinc/76/70/11/269767011.db2.gz XVOSBPSUDKENME-NEPJUHHUSA-N 2 2 257.378 0.054 20 0 CCADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCc1[nH+]ccn1C ZINC000525755743 262134461 /nfs/dbraw/zinc/13/44/61/262134461.db2.gz XOKKOJLJUYVTRV-CQSZACIVSA-N 2 2 294.399 0.830 20 0 CCADLP C[C@H]1C[N@H+](CCSCC[NH+]2CCOCC2)CCO1 ZINC000188286930 262289235 /nfs/dbraw/zinc/28/92/35/262289235.db2.gz IDRSBGZOJXHQNQ-ZDUSSCGKSA-N 2 2 274.430 0.773 20 0 CCADLP C[C@H]1C[N@@H+](CCSCC[NH+]2CCOCC2)CCO1 ZINC000188286930 262289236 /nfs/dbraw/zinc/28/92/36/262289236.db2.gz IDRSBGZOJXHQNQ-ZDUSSCGKSA-N 2 2 274.430 0.773 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NCCCn1cc[nH+]c1 ZINC000357063453 545078404 /nfs/dbraw/zinc/07/84/04/545078404.db2.gz DUDOIXUMVATECX-UHFFFAOYSA-N 2 2 262.317 0.506 20 0 CCADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000519149548 265337532 /nfs/dbraw/zinc/33/75/32/265337532.db2.gz BSXFFQXMAMGNDU-CQSZACIVSA-N 2 2 291.399 0.192 20 0 CCADLP CSC[C@H](CCO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425362889 278137250 /nfs/dbraw/zinc/13/72/50/278137250.db2.gz VULDDQHFZUNIAU-JTQLQIEISA-N 2 2 272.418 0.690 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000441353305 276251440 /nfs/dbraw/zinc/25/14/40/276251440.db2.gz ZCBMDDRSISAUCA-LSDHHAIUSA-N 3 2 282.476 0.942 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000441353305 276251441 /nfs/dbraw/zinc/25/14/41/276251441.db2.gz ZCBMDDRSISAUCA-LSDHHAIUSA-N 3 2 282.476 0.942 20 0 CCADLP CC[NH+]1C[C@H](C)[C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000441353305 276251442 /nfs/dbraw/zinc/25/14/42/276251442.db2.gz ZCBMDDRSISAUCA-LSDHHAIUSA-N 3 2 282.476 0.942 20 0 CCADLP CC[NH+]1C[C@H](C)[C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000441353305 276251443 /nfs/dbraw/zinc/25/14/43/276251443.db2.gz ZCBMDDRSISAUCA-LSDHHAIUSA-N 3 2 282.476 0.942 20 0 CCADLP CC(=O)NC1CCC([NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000334392353 277025436 /nfs/dbraw/zinc/02/54/36/277025436.db2.gz XMETWTSCTYPKMT-RSUZKEPVSA-N 2 2 253.390 0.973 20 0 CCADLP CC(=O)NC1CCC([NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000334392353 277025437 /nfs/dbraw/zinc/02/54/37/277025437.db2.gz XMETWTSCTYPKMT-RSUZKEPVSA-N 2 2 253.390 0.973 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H]2[C@@H](CCS2(=O)=O)C1 ZINC000353119478 277061621 /nfs/dbraw/zinc/06/16/21/277061621.db2.gz NWOJDEIXDFEFMY-XQQFMLRXSA-N 2 2 272.414 0.590 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H]2[C@@H](CCS2(=O)=O)C1 ZINC000353119478 277061624 /nfs/dbraw/zinc/06/16/24/277061624.db2.gz NWOJDEIXDFEFMY-XQQFMLRXSA-N 2 2 272.414 0.590 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@H]2[C@@H](CCS2(=O)=O)C1 ZINC000353119478 277061625 /nfs/dbraw/zinc/06/16/25/277061625.db2.gz NWOJDEIXDFEFMY-XQQFMLRXSA-N 2 2 272.414 0.590 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@H]2[C@@H](CCS2(=O)=O)C1 ZINC000353119478 277061626 /nfs/dbraw/zinc/06/16/26/277061626.db2.gz NWOJDEIXDFEFMY-XQQFMLRXSA-N 2 2 272.414 0.590 20 0 CCADLP C[N@@H+]1CCN(C(=O)Nc2ccc3c(n2)CCC3)[C@H](C[NH3+])C1 ZINC000515374622 277093134 /nfs/dbraw/zinc/09/31/34/277093134.db2.gz SEMOCEVLWKDUIR-GFCCVEGCSA-N 2 2 289.383 0.677 20 0 CCADLP C[N@H+]1CCN(C(=O)Nc2ccc3c(n2)CCC3)[C@H](C[NH3+])C1 ZINC000515374622 277093135 /nfs/dbraw/zinc/09/31/35/277093135.db2.gz SEMOCEVLWKDUIR-GFCCVEGCSA-N 2 2 289.383 0.677 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C)Cc3ccccc32)C1 ZINC000174617993 277118016 /nfs/dbraw/zinc/11/80/16/277118016.db2.gz BZASRJUSDXTQNV-OAHLLOKOSA-N 2 2 289.379 0.796 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](C)Cc3ccccc32)C1 ZINC000174617993 277118017 /nfs/dbraw/zinc/11/80/17/277118017.db2.gz BZASRJUSDXTQNV-OAHLLOKOSA-N 2 2 289.379 0.796 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](C)Cc3ccccc32)C1 ZINC000174617993 277118019 /nfs/dbraw/zinc/11/80/19/277118019.db2.gz BZASRJUSDXTQNV-OAHLLOKOSA-N 2 2 289.379 0.796 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](C)Cc3ccccc32)C1 ZINC000174617993 277118020 /nfs/dbraw/zinc/11/80/20/277118020.db2.gz BZASRJUSDXTQNV-OAHLLOKOSA-N 2 2 289.379 0.796 20 0 CCADLP COC[C@@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000159090149 277246704 /nfs/dbraw/zinc/24/67/04/277246704.db2.gz BWPVJRGDKHKQNY-ZIAGYGMSSA-N 2 2 277.368 0.475 20 0 CCADLP COC[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000159090149 277246705 /nfs/dbraw/zinc/24/67/05/277246705.db2.gz BWPVJRGDKHKQNY-ZIAGYGMSSA-N 2 2 277.368 0.475 20 0 CCADLP CC(C)[C@H](C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)[NH+](C)C ZINC000342254935 277865239 /nfs/dbraw/zinc/86/52/39/277865239.db2.gz TVICTGBMRKQVBQ-RRFJBIMHSA-N 2 2 297.443 0.894 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CN1C1CC1 ZINC000422848665 278029453 /nfs/dbraw/zinc/02/94/53/278029453.db2.gz BCJNSMUTHHVCJL-WXYCVUISSA-N 2 2 279.428 0.968 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000094648363 278047669 /nfs/dbraw/zinc/04/76/69/278047669.db2.gz JJMFJVJKHGDROZ-IHRRRGAJSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@H](C[N@H+](C)C[C@@H]1CCC[NH+](C)C1)CS(C)(=O)=O ZINC000119226751 278178609 /nfs/dbraw/zinc/17/86/09/278178609.db2.gz CEYSJVVOBYNZAJ-CHWSQXEVSA-N 2 2 276.446 0.941 20 0 CCADLP C[C@H](C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)CS(C)(=O)=O ZINC000119226751 278178610 /nfs/dbraw/zinc/17/86/10/278178610.db2.gz CEYSJVVOBYNZAJ-CHWSQXEVSA-N 2 2 276.446 0.941 20 0 CCADLP C[C@H](C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)CS(C)(=O)=O ZINC000119226751 278178612 /nfs/dbraw/zinc/17/86/12/278178612.db2.gz CEYSJVVOBYNZAJ-CHWSQXEVSA-N 2 2 276.446 0.941 20 0 CCADLP C[C@H](C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)CS(C)(=O)=O ZINC000119226751 278178614 /nfs/dbraw/zinc/17/86/14/278178614.db2.gz CEYSJVVOBYNZAJ-CHWSQXEVSA-N 2 2 276.446 0.941 20 0 CCADLP C[C@@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)[C@@H]1CCC[NH2+]1 ZINC000423024633 278355333 /nfs/dbraw/zinc/35/53/33/278355333.db2.gz JTDGYPKKKPNUBV-XBFCOCLRSA-N 2 2 253.390 0.580 20 0 CCADLP C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)[C@H]1C[NH3+] ZINC000070176416 278473880 /nfs/dbraw/zinc/47/38/80/278473880.db2.gz OGXAVJKNCAOLMG-NEPJUHHUSA-N 2 2 250.346 0.859 20 0 CCADLP C[C@@H]1C[NH+](C(C)(C)CNC2=[NH+]CCCN2)C[C@@H](C)O1 ZINC000261691575 288067097 /nfs/dbraw/zinc/06/70/97/288067097.db2.gz BGMYZEDPZQBQQF-VXGBXAGGSA-N 2 2 268.405 0.813 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000347673160 288090809 /nfs/dbraw/zinc/09/08/09/288090809.db2.gz CDFTZBNQJOLXPE-KGLIPLIRSA-N 3 2 254.422 0.164 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000347673160 288090811 /nfs/dbraw/zinc/09/08/11/288090811.db2.gz CDFTZBNQJOLXPE-KGLIPLIRSA-N 3 2 254.422 0.164 20 0 CCADLP Cc1nc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c[nH]1 ZINC000270060292 279065479 /nfs/dbraw/zinc/06/54/79/279065479.db2.gz HJJWXMXBVFJQOP-UHFFFAOYSA-N 2 2 293.415 0.816 20 0 CCADLP Cc1nc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c[nH]1 ZINC000270060292 279065483 /nfs/dbraw/zinc/06/54/83/279065483.db2.gz HJJWXMXBVFJQOP-UHFFFAOYSA-N 2 2 293.415 0.816 20 0 CCADLP CC[NH+](CC)C[C@@H](C)NC(=O)NCc1[nH+]ccn1C ZINC000348442692 279117097 /nfs/dbraw/zinc/11/70/97/279117097.db2.gz NWRYNZSFIOCJCO-LLVKDONJSA-N 2 2 267.377 0.950 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000359030351 288105863 /nfs/dbraw/zinc/10/58/63/288105863.db2.gz NDCKIEQLYQVDFC-IJLUTSLNSA-N 2 2 274.430 0.882 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000359030351 288105864 /nfs/dbraw/zinc/10/58/64/288105864.db2.gz NDCKIEQLYQVDFC-IJLUTSLNSA-N 2 2 274.430 0.882 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N2CCn3cc[nH+]c3C2)CCC[N@@H+]1C ZINC000345735827 279121719 /nfs/dbraw/zinc/12/17/19/279121719.db2.gz DBTCRUZYTQXOTI-VXGBXAGGSA-N 2 2 277.372 0.891 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N2CCn3cc[nH+]c3C2)CCC[N@H+]1C ZINC000345735827 279121720 /nfs/dbraw/zinc/12/17/20/279121720.db2.gz DBTCRUZYTQXOTI-VXGBXAGGSA-N 2 2 277.372 0.891 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000423929452 279176699 /nfs/dbraw/zinc/17/66/99/279176699.db2.gz IUHBPXBNQRCWMI-RWMBFGLXSA-N 2 2 269.389 0.291 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000423929452 279176703 /nfs/dbraw/zinc/17/67/03/279176703.db2.gz IUHBPXBNQRCWMI-RWMBFGLXSA-N 2 2 269.389 0.291 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000363901035 279265163 /nfs/dbraw/zinc/26/51/63/279265163.db2.gz SBQMHMOEGKWCGE-LSDHHAIUSA-N 2 2 295.427 0.794 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000363901035 279265164 /nfs/dbraw/zinc/26/51/64/279265164.db2.gz SBQMHMOEGKWCGE-LSDHHAIUSA-N 2 2 295.427 0.794 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000245908899 279353095 /nfs/dbraw/zinc/35/30/95/279353095.db2.gz OGDWOPIIKFUPIJ-STQMWFEESA-N 2 2 271.405 0.552 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000245908899 279353096 /nfs/dbraw/zinc/35/30/96/279353096.db2.gz OGDWOPIIKFUPIJ-STQMWFEESA-N 2 2 271.405 0.552 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCC(=O)OC)C[C@H]1C ZINC000362188598 279397636 /nfs/dbraw/zinc/39/76/36/279397636.db2.gz SHSIKDYLVAUCFF-VXGBXAGGSA-N 2 2 285.388 0.080 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCC(=O)OC)C[C@H]1C ZINC000362188598 279397637 /nfs/dbraw/zinc/39/76/37/279397637.db2.gz SHSIKDYLVAUCFF-VXGBXAGGSA-N 2 2 285.388 0.080 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCC(=O)OC)C[C@H]1C ZINC000362188598 279397638 /nfs/dbraw/zinc/39/76/38/279397638.db2.gz SHSIKDYLVAUCFF-VXGBXAGGSA-N 2 2 285.388 0.080 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCC(=O)OC)C[C@H]1C ZINC000362188598 279397639 /nfs/dbraw/zinc/39/76/39/279397639.db2.gz SHSIKDYLVAUCFF-VXGBXAGGSA-N 2 2 285.388 0.080 20 0 CCADLP C[C@H]1C[C@@H](C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CC[NH2+]1 ZINC000478953588 279941408 /nfs/dbraw/zinc/94/14/08/279941408.db2.gz GKIHIGWENHWGFE-IHRRRGAJSA-N 2 2 281.400 0.308 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000353815492 280071482 /nfs/dbraw/zinc/07/14/82/280071482.db2.gz MNHUXAUAROPDOM-ZNMIVQPWSA-N 2 2 295.427 0.600 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000353815492 280071485 /nfs/dbraw/zinc/07/14/85/280071485.db2.gz MNHUXAUAROPDOM-ZNMIVQPWSA-N 2 2 295.427 0.600 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000262093912 288196037 /nfs/dbraw/zinc/19/60/37/288196037.db2.gz VABRVZAOVJADCU-IKGGRYGDSA-N 3 2 294.487 0.944 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000262093912 288196038 /nfs/dbraw/zinc/19/60/38/288196038.db2.gz VABRVZAOVJADCU-IKGGRYGDSA-N 3 2 294.487 0.944 20 0 CCADLP CC[C@H]1C(=O)NCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000328706160 281035670 /nfs/dbraw/zinc/03/56/70/281035670.db2.gz YYFWCPRIABQPOV-LBPRGKRZSA-N 2 2 282.388 0.201 20 0 CCADLP CC[C@H]1C(=O)NCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000328706160 281035672 /nfs/dbraw/zinc/03/56/72/281035672.db2.gz YYFWCPRIABQPOV-LBPRGKRZSA-N 2 2 282.388 0.201 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)C1(C[NH3+])CCCC1 ZINC000178763122 281284550 /nfs/dbraw/zinc/28/45/50/281284550.db2.gz SYYIUVVIBRFNCF-UHFFFAOYSA-N 2 2 283.416 0.733 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)C1(C[NH3+])CCCC1 ZINC000178763122 281284552 /nfs/dbraw/zinc/28/45/52/281284552.db2.gz SYYIUVVIBRFNCF-UHFFFAOYSA-N 2 2 283.416 0.733 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000178763171 281286290 /nfs/dbraw/zinc/28/62/90/281286290.db2.gz QINUPBIXCMKNKQ-STQMWFEESA-N 2 2 283.416 0.731 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000178763171 281286293 /nfs/dbraw/zinc/28/62/93/281286293.db2.gz QINUPBIXCMKNKQ-STQMWFEESA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000417528375 288347048 /nfs/dbraw/zinc/34/70/48/288347048.db2.gz PQMVODATJUGYGK-MGPQQGTHSA-N 2 2 298.431 0.524 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000417528375 288347050 /nfs/dbraw/zinc/34/70/50/288347050.db2.gz PQMVODATJUGYGK-MGPQQGTHSA-N 2 2 298.431 0.524 20 0 CCADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)CCc1[nH]cc[nH+]1 ZINC000354083818 289137068 /nfs/dbraw/zinc/13/70/68/289137068.db2.gz CYIXHCBCGLUFDL-ZDUSSCGKSA-N 2 2 294.399 0.912 20 0 CCADLP C[C@H](C(=O)N1CCC[C@H]1C[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000348881388 289278572 /nfs/dbraw/zinc/27/85/72/289278572.db2.gz WWEVBWLCTOSFFI-KGLIPLIRSA-N 2 2 282.432 0.175 20 0 CCADLP C[NH+]1CCC(NC(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000370312662 289884156 /nfs/dbraw/zinc/88/41/56/289884156.db2.gz AQCONHRLLRAFHJ-UHFFFAOYSA-N 2 2 281.400 0.452 20 0 CCADLP COC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000262166466 293116608 /nfs/dbraw/zinc/11/66/08/293116608.db2.gz AISMGUSJXJBMHX-FQUUOJAGSA-N 2 2 299.415 0.060 20 0 CCADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H](C)Cn2cc[nH+]c2)C1 ZINC000187924177 293834630 /nfs/dbraw/zinc/83/46/30/293834630.db2.gz TYEHURPZHNUJNM-SDDRHHMPSA-N 2 2 266.345 0.012 20 0 CCADLP Cn1cc(N2CCC[C@@H]([NH+]3CCC([NH3+])CC3)C2=O)cn1 ZINC000430600340 294246257 /nfs/dbraw/zinc/24/62/57/294246257.db2.gz HOOUXXHXJMFPCL-CYBMUJFWSA-N 2 2 277.372 0.339 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000339067690 295111354 /nfs/dbraw/zinc/11/13/54/295111354.db2.gz CAGNAGVCLWAJDY-KFWWJZLASA-N 3 2 294.443 0.543 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000339067690 295111356 /nfs/dbraw/zinc/11/13/56/295111356.db2.gz CAGNAGVCLWAJDY-KFWWJZLASA-N 3 2 294.443 0.543 20 0 CCADLP NC(=O)[C@@H]1CCC[NH+]1CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339067690 295111357 /nfs/dbraw/zinc/11/13/57/295111357.db2.gz CAGNAGVCLWAJDY-KFWWJZLASA-N 3 2 294.443 0.543 20 0 CCADLP NC(=O)[C@@H]1CCC[NH+]1CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339067690 295111358 /nfs/dbraw/zinc/11/13/58/295111358.db2.gz CAGNAGVCLWAJDY-KFWWJZLASA-N 3 2 294.443 0.543 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@](C)(CO)c1ccccc1 ZINC000388620331 545086582 /nfs/dbraw/zinc/08/65/82/545086582.db2.gz STLBUHBLUYNLTC-GJZGRUSLSA-N 2 2 266.385 0.796 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@](C)(CO)c1ccccc1 ZINC000388620331 545086583 /nfs/dbraw/zinc/08/65/83/545086583.db2.gz STLBUHBLUYNLTC-GJZGRUSLSA-N 2 2 266.385 0.796 20 0 CCADLP C[C@H](C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000423967154 298024055 /nfs/dbraw/zinc/02/40/55/298024055.db2.gz HBTQNNIAPIOUSQ-KFWWJZLASA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)CC1(C)C)[NH+]1CCSCC1 ZINC000334436951 298047711 /nfs/dbraw/zinc/04/77/11/298047711.db2.gz QNQXWQZOKHMWMO-GFCCVEGCSA-N 2 2 285.457 0.976 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)CC1(C)C)[NH+]1CCSCC1 ZINC000334436951 298047713 /nfs/dbraw/zinc/04/77/13/298047713.db2.gz QNQXWQZOKHMWMO-GFCCVEGCSA-N 2 2 285.457 0.976 20 0 CCADLP C[C@H](C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)[NH+]1CCSCC1 ZINC000352805735 298084706 /nfs/dbraw/zinc/08/47/06/298084706.db2.gz MQBSYCLQFCOGRC-MCIONIFRSA-N 2 2 297.468 0.976 20 0 CCADLP C[C@H](C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21)[NH+]1CCSCC1 ZINC000352805735 298084707 /nfs/dbraw/zinc/08/47/07/298084707.db2.gz MQBSYCLQFCOGRC-MCIONIFRSA-N 2 2 297.468 0.976 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000333475024 298628064 /nfs/dbraw/zinc/62/80/64/298628064.db2.gz BHQXRLRMSZRZHD-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000582554640 329110807 /nfs/dbraw/zinc/11/08/07/329110807.db2.gz SWSZLQOBPGLDBT-ZIAGYGMSSA-N 2 2 266.389 0.751 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000582554640 329110808 /nfs/dbraw/zinc/11/08/08/329110808.db2.gz SWSZLQOBPGLDBT-ZIAGYGMSSA-N 2 2 266.389 0.751 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000582554640 329110809 /nfs/dbraw/zinc/11/08/09/329110809.db2.gz SWSZLQOBPGLDBT-ZIAGYGMSSA-N 2 2 266.389 0.751 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000582554640 329110810 /nfs/dbraw/zinc/11/08/10/329110810.db2.gz SWSZLQOBPGLDBT-ZIAGYGMSSA-N 2 2 266.389 0.751 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000575070178 328238881 /nfs/dbraw/zinc/23/88/81/328238881.db2.gz QJQHDDDOZMHPEX-UHFFFAOYSA-N 2 2 276.344 0.406 20 0 CCADLP CC[NH+]1CCC([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000395717185 329300426 /nfs/dbraw/zinc/30/04/26/329300426.db2.gz NUSCFPBASBLIAD-AWEZNQCLSA-N 3 2 255.406 0.515 20 0 CCADLP CC[NH+]1CCC([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000395717185 329300428 /nfs/dbraw/zinc/30/04/28/329300428.db2.gz NUSCFPBASBLIAD-AWEZNQCLSA-N 3 2 255.406 0.515 20 0 CCADLP C[C@H](O)CCC[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000584113588 327040769 /nfs/dbraw/zinc/04/07/69/327040769.db2.gz YIZZENCMCREIJA-XUXIUFHCSA-N 2 2 274.405 0.207 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@@H]3CC[NH2+][C@@H]3C)CC2)cc[nH+]1 ZINC000566008481 327112628 /nfs/dbraw/zinc/11/26/28/327112628.db2.gz JJUBPYXEXKZTML-DGCLKSJQSA-N 2 2 289.383 0.432 20 0 CCADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCCN2S(C)(=O)=O)n1C ZINC000573579569 327199616 /nfs/dbraw/zinc/19/96/16/327199616.db2.gz WDYUNBCYCODCBP-LLVKDONJSA-N 2 2 286.401 0.242 20 0 CCADLP CC[C@]1(C(=O)N(C)Cc2[nH+]ccn2C)CCC[NH2+]1 ZINC000215340439 327228387 /nfs/dbraw/zinc/22/83/87/327228387.db2.gz VAYMMJVFNQZECL-CYBMUJFWSA-N 2 2 250.346 0.911 20 0 CCADLP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000387522378 327297623 /nfs/dbraw/zinc/29/76/23/327297623.db2.gz KODRIMFTHRRPHW-CHWSQXEVSA-N 2 2 285.432 0.848 20 0 CCADLP Cc1cc(C[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccn1 ZINC000583376805 327333381 /nfs/dbraw/zinc/33/33/81/327333381.db2.gz GXOKDEXNOTUVPS-IJEWVQPXSA-N 2 2 293.411 0.950 20 0 CCADLP Cc1cc(C[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccn1 ZINC000583376805 327333383 /nfs/dbraw/zinc/33/33/83/327333383.db2.gz GXOKDEXNOTUVPS-IJEWVQPXSA-N 2 2 293.411 0.950 20 0 CCADLP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)O1 ZINC000574753001 327372310 /nfs/dbraw/zinc/37/23/10/327372310.db2.gz AFNHKYNZIDSPDA-WOPDTQHZSA-N 2 2 278.356 0.970 20 0 CCADLP C[C@@H]([NH2+]CCOCC[NH3+])c1nc(C(C)(C)C)no1 ZINC000582846326 329276198 /nfs/dbraw/zinc/27/61/98/329276198.db2.gz JABZALPQALHMJE-SECBINFHSA-N 2 2 256.350 0.993 20 0 CCADLP Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)CCC[NH3+])cn1 ZINC000583023409 329298890 /nfs/dbraw/zinc/29/88/90/329298890.db2.gz OEFNXKWBFJDARL-STQMWFEESA-N 2 2 297.378 0.188 20 0 CCADLP Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)CCC[NH3+])cn1 ZINC000583023409 329298891 /nfs/dbraw/zinc/29/88/91/329298891.db2.gz OEFNXKWBFJDARL-STQMWFEESA-N 2 2 297.378 0.188 20 0 CCADLP C[C@@H](C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)CS(C)(=O)=O ZINC000583760623 329475015 /nfs/dbraw/zinc/47/50/15/329475015.db2.gz FSAQOEDLAKVPHC-NSHDSACASA-N 2 2 286.401 0.212 20 0 CCADLP C[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1cccc(O)c1 ZINC000580420747 330128768 /nfs/dbraw/zinc/12/87/68/330128768.db2.gz MGDVVNFKIOJXOB-DGCLKSJQSA-N 2 2 292.383 0.738 20 0 CCADLP C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1cccc(O)c1 ZINC000580420747 330128770 /nfs/dbraw/zinc/12/87/70/330128770.db2.gz MGDVVNFKIOJXOB-DGCLKSJQSA-N 2 2 292.383 0.738 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000580432067 330131815 /nfs/dbraw/zinc/13/18/15/330131815.db2.gz QGYWORHQZZLCOS-RISCZKNCSA-N 2 2 282.388 0.296 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000580432067 330131817 /nfs/dbraw/zinc/13/18/17/330131817.db2.gz QGYWORHQZZLCOS-RISCZKNCSA-N 2 2 282.388 0.296 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000575326291 335094337 /nfs/dbraw/zinc/09/43/37/335094337.db2.gz MQCHKUJMVLGPHD-ILXRZTDVSA-N 2 2 286.416 0.569 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000575326291 335094339 /nfs/dbraw/zinc/09/43/39/335094339.db2.gz MQCHKUJMVLGPHD-ILXRZTDVSA-N 2 2 286.416 0.569 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000575326291 335094340 /nfs/dbraw/zinc/09/43/40/335094340.db2.gz MQCHKUJMVLGPHD-ILXRZTDVSA-N 2 2 286.416 0.569 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000575326291 335094342 /nfs/dbraw/zinc/09/43/42/335094342.db2.gz MQCHKUJMVLGPHD-ILXRZTDVSA-N 2 2 286.416 0.569 20 0 CCADLP Cc1ncc(C[NH2+]CCC[NH+]2CCC(O)CC2)n1C ZINC000576292332 335185004 /nfs/dbraw/zinc/18/50/04/335185004.db2.gz KWVWGQJZECYYEL-UHFFFAOYSA-N 2 2 266.389 0.665 20 0 CCADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000575408631 335101380 /nfs/dbraw/zinc/10/13/80/335101380.db2.gz UIWHCASVKRNHGA-WBMJQRKESA-N 2 2 286.379 0.919 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC000575873115 335126889 /nfs/dbraw/zinc/12/68/89/335126889.db2.gz HIOBSZZTEIQGMK-STQMWFEESA-N 2 2 280.372 0.671 20 0 CCADLP CCn1c[nH+]cc1CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405331669 545091923 /nfs/dbraw/zinc/09/19/23/545091923.db2.gz ZSJCFVUJJYMRSS-WCQYABFASA-N 2 2 250.346 0.154 20 0 CCADLP CCn1c[nH+]cc1CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405331669 545091924 /nfs/dbraw/zinc/09/19/24/545091924.db2.gz ZSJCFVUJJYMRSS-WCQYABFASA-N 2 2 250.346 0.154 20 0 CCADLP [NH3+]CCCCC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000576155972 335161570 /nfs/dbraw/zinc/16/15/70/335161570.db2.gz QBBUOMUZEBLSGG-CYBMUJFWSA-N 2 2 269.389 0.439 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000576239334 335176329 /nfs/dbraw/zinc/17/63/29/335176329.db2.gz XSXOGMHTXNZKKW-JTQLQIEISA-N 2 2 250.346 0.799 20 0 CCADLP Cc1[nH+]cc2n1C[C@H](C(=O)NCc1[nH+]ccn1C)CC2 ZINC000553429311 334384344 /nfs/dbraw/zinc/38/43/44/334384344.db2.gz XLQNTWKJKKYGOG-LLVKDONJSA-N 2 2 273.340 0.804 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC2CC2)CC1 ZINC000175516541 335186910 /nfs/dbraw/zinc/18/69/10/335186910.db2.gz VIXQAUMEJBHSIN-UHFFFAOYSA-N 2 2 254.378 0.474 20 0 CCADLP C[C@H](CNC[C@@H](O)C[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000576389791 335197355 /nfs/dbraw/zinc/19/73/55/335197355.db2.gz CVDZYWIPYJUARS-HZPDHXFCSA-N 2 2 299.459 0.390 20 0 CCADLP CC(C)C[C@@H](C[NH3+])NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000576889142 335261309 /nfs/dbraw/zinc/26/13/09/335261309.db2.gz TVKBIFAMVYCJBF-JTQLQIEISA-N 2 2 253.350 0.925 20 0 CCADLP CC(C)C[C@@H](C[NH3+])NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000576889142 335261310 /nfs/dbraw/zinc/26/13/10/335261310.db2.gz TVKBIFAMVYCJBF-JTQLQIEISA-N 2 2 253.350 0.925 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CC2=CCOCC2)C[C@@H](C)O1 ZINC000577099112 335299891 /nfs/dbraw/zinc/29/98/91/335299891.db2.gz WRUQHPWYBKHDIY-NFAWXSAZSA-N 2 2 284.400 0.393 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCC(F)(F)F)CCN2C1=O ZINC000577125226 335304900 /nfs/dbraw/zinc/30/49/00/335304900.db2.gz OEKHAFFBOOUQLB-JGVFFNPUSA-N 2 2 251.252 0.183 20 0 CCADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cnc[nH]1 ZINC000193001097 335332719 /nfs/dbraw/zinc/33/27/19/335332719.db2.gz WZEMXTLPHDMDBV-UHFFFAOYSA-N 2 2 251.378 0.479 20 0 CCADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cnc[nH]1 ZINC000193001097 335332722 /nfs/dbraw/zinc/33/27/22/335332722.db2.gz WZEMXTLPHDMDBV-UHFFFAOYSA-N 2 2 251.378 0.479 20 0 CCADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1c[nH]cn1 ZINC000193001097 335332723 /nfs/dbraw/zinc/33/27/23/335332723.db2.gz WZEMXTLPHDMDBV-UHFFFAOYSA-N 2 2 251.378 0.479 20 0 CCADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1c[nH]cn1 ZINC000193001097 335332725 /nfs/dbraw/zinc/33/27/25/335332725.db2.gz WZEMXTLPHDMDBV-UHFFFAOYSA-N 2 2 251.378 0.479 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCc2cc[nH]c(=O)c2C1)C1CC1 ZINC000577544921 335366775 /nfs/dbraw/zinc/36/67/75/335366775.db2.gz LTSLQDCTBKJGCF-ZDUSSCGKSA-N 2 2 277.368 0.600 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCc2cc[nH]c(=O)c2C1)C1CC1 ZINC000577544921 335366776 /nfs/dbraw/zinc/36/67/76/335366776.db2.gz LTSLQDCTBKJGCF-ZDUSSCGKSA-N 2 2 277.368 0.600 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCc2cc[nH]c(=O)c2C1)C1CC1 ZINC000577544921 335366777 /nfs/dbraw/zinc/36/67/77/335366777.db2.gz LTSLQDCTBKJGCF-ZDUSSCGKSA-N 2 2 277.368 0.600 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCc2cc[nH]c(=O)c2C1)C1CC1 ZINC000577544921 335366779 /nfs/dbraw/zinc/36/67/79/335366779.db2.gz LTSLQDCTBKJGCF-ZDUSSCGKSA-N 2 2 277.368 0.600 20 0 CCADLP CSC[C@@H](O)C[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000579849972 335907599 /nfs/dbraw/zinc/90/75/99/335907599.db2.gz JAVOBQKGFBDUID-LBPRGKRZSA-N 2 2 276.446 0.535 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@H]2CCC[C@@H](C(N)=O)C2)n1C ZINC000579854053 335909834 /nfs/dbraw/zinc/90/98/34/335909834.db2.gz LPHXQMIOABWOTM-MNOVXSKESA-N 2 2 250.346 0.862 20 0 CCADLP O[C@@H]1CCC[C@H](C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000580781145 335966102 /nfs/dbraw/zinc/96/61/02/335966102.db2.gz VZZDRCBXXBOSPD-ATGSNQNLSA-N 2 2 268.401 0.894 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000581207105 336024918 /nfs/dbraw/zinc/02/49/18/336024918.db2.gz ZGPQEIXAESCKMA-JHJVBQTASA-N 2 2 289.445 0.340 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000581207105 336024920 /nfs/dbraw/zinc/02/49/20/336024920.db2.gz ZGPQEIXAESCKMA-JHJVBQTASA-N 2 2 289.445 0.340 20 0 CCADLP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+](C)C)c(C)c1 ZINC000581310660 336045739 /nfs/dbraw/zinc/04/57/39/336045739.db2.gz JXOJZQHTPZJINR-CABCVRRESA-N 2 2 296.411 0.555 20 0 CCADLP O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)N[C@H]1CC[NH2+]C1 ZINC000581322118 336048963 /nfs/dbraw/zinc/04/89/63/336048963.db2.gz KSHAJZFTFLKHKK-LBPRGKRZSA-N 2 2 286.339 0.810 20 0 CCADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000382966336 336099815 /nfs/dbraw/zinc/09/98/15/336099815.db2.gz BSWQVLZLCGTMBG-NSHDSACASA-N 2 2 285.413 0.716 20 0 CCADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000382966336 336099816 /nfs/dbraw/zinc/09/98/16/336099816.db2.gz BSWQVLZLCGTMBG-NSHDSACASA-N 2 2 285.413 0.716 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)NCC[C@H]2CC[NH2+]C2)CCO1 ZINC000581597106 336109311 /nfs/dbraw/zinc/10/93/11/336109311.db2.gz GQJXKPYAELYELH-CYBMUJFWSA-N 2 2 298.431 0.396 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)NCC[C@H]2CC[NH2+]C2)CCO1 ZINC000581597106 336109312 /nfs/dbraw/zinc/10/93/12/336109312.db2.gz 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C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)[C@@H]1CCCO1 ZINC000453273778 533905186 /nfs/dbraw/zinc/90/51/86/533905186.db2.gz VZDSBHDBFDACAR-MJBXVCDLSA-N 2 2 256.390 0.990 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+](CCCO)C2)[C@@H](C)O1 ZINC000449398878 533961045 /nfs/dbraw/zinc/96/10/45/533961045.db2.gz WRMGTMVTYNLDCL-SYQHCUMBSA-N 2 2 256.390 0.989 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+](CCCO)C2)[C@@H](C)O1 ZINC000449398878 533961051 /nfs/dbraw/zinc/96/10/51/533961051.db2.gz WRMGTMVTYNLDCL-SYQHCUMBSA-N 2 2 256.390 0.989 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000341852843 535638549 /nfs/dbraw/zinc/63/85/49/535638549.db2.gz ZUCACXRRLGVZOT-KGLIPLIRSA-N 2 2 282.432 0.175 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000341852843 535638553 /nfs/dbraw/zinc/63/85/53/535638553.db2.gz ZUCACXRRLGVZOT-KGLIPLIRSA-N 2 2 282.432 0.175 20 0 CCADLP Cc1cc(NC[C@@H]2CCC[N@@H+]2CCCO)nc(C)[nH+]1 ZINC000450595653 534034418 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CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000182722461 519817507 /nfs/dbraw/zinc/81/75/07/519817507.db2.gz GUKLTGORGKOVEO-AAEUAGOBSA-N 2 2 262.357 0.760 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@@H]([NH3+])[C@@H](C)CC)CC1 ZINC000155622524 519915750 /nfs/dbraw/zinc/91/57/50/519915750.db2.gz MWTGNZCNGOHPCL-STQMWFEESA-N 2 2 271.405 0.541 20 0 CCADLP O=C(NCCn1cc[nH+]c1)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000424128806 534520798 /nfs/dbraw/zinc/52/07/98/534520798.db2.gz CIBQNDJRUIRIFC-NSHDSACASA-N 2 2 288.355 0.503 20 0 CCADLP CC1CC[NH+](CC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000366548787 520995619 /nfs/dbraw/zinc/99/56/19/520995619.db2.gz CNWXRFWMFPGDOO-HNNXBMFYSA-N 2 2 295.427 0.651 20 0 CCADLP [NH3+]CC1(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CCCC1 ZINC000423748609 534586217 /nfs/dbraw/zinc/58/62/17/534586217.db2.gz ASFSKRLRROUZII-ZDUSSCGKSA-N 2 2 281.400 0.485 20 0 CCADLP [NH3+]CC1(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CCCC1 ZINC000423748609 534586220 /nfs/dbraw/zinc/58/62/20/534586220.db2.gz ASFSKRLRROUZII-ZDUSSCGKSA-N 2 2 281.400 0.485 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC000526031400 545101603 /nfs/dbraw/zinc/10/16/03/545101603.db2.gz BXHRSLUGZIMAPX-GFCCVEGCSA-N 2 2 280.372 0.521 20 0 CCADLP C[N@H+](CC1CCOCC1)C1CC[NH+](CCO)CC1 ZINC000340841839 522665993 /nfs/dbraw/zinc/66/59/93/522665993.db2.gz GCBAEUSIMYEVFS-UHFFFAOYSA-N 2 2 256.390 0.802 20 0 CCADLP C[N@@H+](CC1CCOCC1)C1CC[NH+](CCO)CC1 ZINC000340841839 522666002 /nfs/dbraw/zinc/66/60/02/522666002.db2.gz GCBAEUSIMYEVFS-UHFFFAOYSA-N 2 2 256.390 0.802 20 0 CCADLP CN(CC[N@H+](C)C1CC1)C(=O)NCCn1cc[nH+]c1 ZINC000184726583 522810775 /nfs/dbraw/zinc/81/07/75/522810775.db2.gz ILJPQIKDJPHPKV-UHFFFAOYSA-N 2 2 265.361 0.619 20 0 CCADLP CN(CC[N@@H+](C)C1CC1)C(=O)NCCn1cc[nH+]c1 ZINC000184726583 522810785 /nfs/dbraw/zinc/81/07/85/522810785.db2.gz ILJPQIKDJPHPKV-UHFFFAOYSA-N 2 2 265.361 0.619 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCCOC1 ZINC000340867056 522812529 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COCCCNC(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366561906 523326824 /nfs/dbraw/zinc/32/68/24/523326824.db2.gz UGWDAHUMFGMENW-AWEZNQCLSA-N 2 2 269.389 0.167 20 0 CCADLP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000423749864 534708186 /nfs/dbraw/zinc/70/81/86/534708186.db2.gz CORLVFNKXRSSNL-BPLDGKMQSA-N 2 2 295.427 0.873 20 0 CCADLP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000423749864 534708191 /nfs/dbraw/zinc/70/81/91/534708191.db2.gz CORLVFNKXRSSNL-BPLDGKMQSA-N 2 2 295.427 0.873 20 0 CCADLP Cc1nc(N2CCN(C(=O)N[C@H](C)[C@@H](C)[NH3+])CC2)cc[nH+]1 ZINC000418728285 534754154 /nfs/dbraw/zinc/75/41/54/534754154.db2.gz QEAHXOILTRKEFZ-GHMZBOCLSA-N 2 2 292.387 0.352 20 0 CCADLP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)C[C@@]2(CCOC2)O1 ZINC000366581940 524963203 /nfs/dbraw/zinc/96/32/03/524963203.db2.gz BKFHQBNPBVJKTH-CHWSQXEVSA-N 2 2 251.330 0.763 20 0 CCADLP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@@]2(CCOC2)O1 ZINC000366581940 524963210 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C[C@@H]1CN(c2nc[nH+]c3c2OCCN3)[C@@H](C)C[N@@H+]1C ZINC000665709751 545104548 /nfs/dbraw/zinc/10/45/48/545104548.db2.gz LYYMAVMBPIWTBL-ZJUUUORDSA-N 2 2 263.345 0.810 20 0 CCADLP C[C@@H]1CN(c2nc[nH+]c3c2OCCN3)[C@@H](C)C[N@H+]1C ZINC000665709751 545104549 /nfs/dbraw/zinc/10/45/49/545104549.db2.gz LYYMAVMBPIWTBL-ZJUUUORDSA-N 2 2 263.345 0.810 20 0 CCADLP CC[N@@H+]1CCN(c2cc(NC[C@@H](C)O)[nH+]cn2)C[C@H]1C ZINC000665708738 545104642 /nfs/dbraw/zinc/10/46/42/545104642.db2.gz KBIXJDMMXLTACX-VXGBXAGGSA-N 2 2 279.388 0.800 20 0 CCADLP CC[N@H+]1CCN(c2cc(NC[C@@H](C)O)[nH+]cn2)C[C@H]1C ZINC000665708738 545104643 /nfs/dbraw/zinc/10/46/43/545104643.db2.gz KBIXJDMMXLTACX-VXGBXAGGSA-N 2 2 279.388 0.800 20 0 CCADLP c1c[nH+]c(N2CCN(c3nc[nH+]c4c3OCCN4)CC2)[nH]1 ZINC000665715116 545105305 /nfs/dbraw/zinc/10/53/05/545105305.db2.gz USGGLTWOTNCJOS-UHFFFAOYSA-N 2 2 287.327 0.331 20 0 CCADLP C[NH2+]CC(=O)NC[C@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000237232681 536441310 /nfs/dbraw/zinc/44/13/10/536441310.db2.gz UTWOUAGDZPDUCX-OAHLLOKOSA-N 2 2 291.395 0.704 20 0 CCADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)NC1CC1 ZINC000150827732 526805615 /nfs/dbraw/zinc/80/56/15/526805615.db2.gz DOKBXMQGVYARLB-GFCCVEGCSA-N 2 2 251.374 0.683 20 0 CCADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)NC1CC1 ZINC000150827732 526805619 /nfs/dbraw/zinc/80/56/19/526805619.db2.gz DOKBXMQGVYARLB-GFCCVEGCSA-N 2 2 251.374 0.683 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](Cc2cnc3ccccn23)CCCO1 ZINC000667045115 545137765 /nfs/dbraw/zinc/13/77/65/545137765.db2.gz WLODNEKDRHKLND-CYBMUJFWSA-N 2 2 260.341 0.884 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cnc3ccccn23)CCCO1 ZINC000667045115 545137766 /nfs/dbraw/zinc/13/77/66/545137766.db2.gz WLODNEKDRHKLND-CYBMUJFWSA-N 2 2 260.341 0.884 20 0 CCADLP [NH3+]C[C@@H]1CN(Cc2c[nH+]c3ccccn23)CCCO1 ZINC000667045115 545137767 /nfs/dbraw/zinc/13/77/67/545137767.db2.gz WLODNEKDRHKLND-CYBMUJFWSA-N 2 2 260.341 0.884 20 0 CCADLP C[N@@H+]1CCN(C(=O)Nc2cnn(CC3CC3)c2)[C@H](C[NH3+])C1 ZINC000667154006 545139547 /nfs/dbraw/zinc/13/95/47/545139547.db2.gz DOZMDPJKDNYWPF-CYBMUJFWSA-N 2 2 292.387 0.400 20 0 CCADLP C[N@H+]1CCN(C(=O)Nc2cnn(CC3CC3)c2)[C@H](C[NH3+])C1 ZINC000667154006 545139548 /nfs/dbraw/zinc/13/95/48/545139548.db2.gz DOZMDPJKDNYWPF-CYBMUJFWSA-N 2 2 292.387 0.400 20 0 CCADLP [NH3+]C[C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000061610881 527200606 /nfs/dbraw/zinc/20/06/06/527200606.db2.gz WXEBWUPTQHAFGW-CQSZACIVSA-N 2 2 277.368 0.177 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000667359686 545144706 /nfs/dbraw/zinc/14/47/06/545144706.db2.gz JKYPTMBUBSLNJV-CHWSQXEVSA-N 2 2 274.368 0.830 20 0 CCADLP CC(C)([NH3+])CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000417919987 527252131 /nfs/dbraw/zinc/25/21/31/527252131.db2.gz GMDDHUSEHYRZJL-LLVKDONJSA-N 2 2 277.372 0.697 20 0 CCADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)n1C ZINC000667516800 545149077 /nfs/dbraw/zinc/14/90/77/545149077.db2.gz JBYQXFBBMAIKLO-CYBMUJFWSA-N 2 2 262.357 0.972 20 0 CCADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)n1C ZINC000667516800 545149078 /nfs/dbraw/zinc/14/90/78/545149078.db2.gz JBYQXFBBMAIKLO-CYBMUJFWSA-N 2 2 262.357 0.972 20 0 CCADLP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000667686059 545153551 /nfs/dbraw/zinc/15/35/51/545153551.db2.gz SLQKHVPAXQICBJ-LLVKDONJSA-N 2 2 286.401 0.242 20 0 CCADLP CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1c[nH+]c(C)n1C ZINC000667686059 545153552 /nfs/dbraw/zinc/15/35/52/545153552.db2.gz SLQKHVPAXQICBJ-LLVKDONJSA-N 2 2 286.401 0.242 20 0 CCADLP C[NH+]1CCC(CNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000667831395 545157376 /nfs/dbraw/zinc/15/73/76/545157376.db2.gz WLSQZKOCUXVYNS-LBPRGKRZSA-N 2 2 276.384 0.973 20 0 CCADLP C[NH+]1CCC(CNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000667831395 545157377 /nfs/dbraw/zinc/15/73/77/545157377.db2.gz WLSQZKOCUXVYNS-LBPRGKRZSA-N 2 2 276.384 0.973 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCOCCO)C1 ZINC000365647783 527468499 /nfs/dbraw/zinc/46/84/99/527468499.db2.gz FOZDKOHHGJALJU-LBPRGKRZSA-N 2 2 253.346 0.608 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCOCCO)C1 ZINC000365647783 527468504 /nfs/dbraw/zinc/46/85/04/527468504.db2.gz FOZDKOHHGJALJU-LBPRGKRZSA-N 2 2 253.346 0.608 20 0 CCADLP C(C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)C[NH2+]C1CC1 ZINC000423572791 527485812 /nfs/dbraw/zinc/48/58/12/527485812.db2.gz YRTSQATZJWAJJO-ZIAGYGMSSA-N 3 2 253.390 0.485 20 0 CCADLP CNC(=O)C1C[NH+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668233227 545168967 /nfs/dbraw/zinc/16/89/67/545168967.db2.gz RUSCEFTYMVGGBK-UHFFFAOYSA-N 2 2 271.324 0.445 20 0 CCADLP OC[C@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CC[C@@H]1O ZINC000668240600 545169035 /nfs/dbraw/zinc/16/90/35/545169035.db2.gz MUMUQPHVLKFFFJ-DOMZBBRYSA-N 2 2 288.351 0.442 20 0 CCADLP OC[C@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC[C@@H]1O ZINC000668240600 545169036 /nfs/dbraw/zinc/16/90/36/545169036.db2.gz MUMUQPHVLKFFFJ-DOMZBBRYSA-N 2 2 288.351 0.442 20 0 CCADLP CC1(C(N)=O)C[NH+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668271928 545170363 /nfs/dbraw/zinc/17/03/63/545170363.db2.gz RXDXOXXTRYDJKL-UHFFFAOYSA-N 2 2 271.324 0.575 20 0 CCADLP O=C1CC[C@@H]2C[N@H+](Cc3c[nH+]c4n3CCC4)CC[C@H]2N1 ZINC000668545194 545181200 /nfs/dbraw/zinc/18/12/00/545181200.db2.gz NXXRIKMNULJIJG-DGCLKSJQSA-N 2 2 274.368 0.930 20 0 CCADLP O=C1CC[C@@H]2C[N@@H+](Cc3c[nH+]c4n3CCC4)CC[C@H]2N1 ZINC000668545194 545181201 /nfs/dbraw/zinc/18/12/01/545181201.db2.gz NXXRIKMNULJIJG-DGCLKSJQSA-N 2 2 274.368 0.930 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)N[C@@H](C)C1=CC[NH+](C)CC1 ZINC000358377969 527722889 /nfs/dbraw/zinc/72/28/89/527722889.db2.gz BLQNIUOFTBKUAG-JSGCOSHPSA-N 2 2 281.400 0.474 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)N[C@@H](C)C1=CC[NH+](C)CC1 ZINC000358377969 527722893 /nfs/dbraw/zinc/72/28/93/527722893.db2.gz BLQNIUOFTBKUAG-JSGCOSHPSA-N 2 2 281.400 0.474 20 0 CCADLP CC[NH+]1CCOC[C@H]1C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000358377969 527722895 /nfs/dbraw/zinc/72/28/95/527722895.db2.gz BLQNIUOFTBKUAG-JSGCOSHPSA-N 2 2 281.400 0.474 20 0 CCADLP CC[NH+]1CCOC[C@H]1C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000358377969 527722897 /nfs/dbraw/zinc/72/28/97/527722897.db2.gz BLQNIUOFTBKUAG-JSGCOSHPSA-N 2 2 281.400 0.474 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(CO)o2)CC1 ZINC000668793864 545190764 /nfs/dbraw/zinc/19/07/64/545190764.db2.gz RNKYKTITXZRVCU-UHFFFAOYSA-N 2 2 276.340 0.828 20 0 CCADLP CC(C)OCCC[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424296299 527937555 /nfs/dbraw/zinc/93/75/55/527937555.db2.gz QPJVPARCANGISV-UONOGXRCSA-N 2 2 266.389 0.962 20 0 CCADLP CC(C)OCCC[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424296299 527937563 /nfs/dbraw/zinc/93/75/63/527937563.db2.gz QPJVPARCANGISV-UONOGXRCSA-N 2 2 266.389 0.962 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493647635 528014981 /nfs/dbraw/zinc/01/49/81/528014981.db2.gz QZJCCPLRYSWZRJ-ITDFMYJTSA-N 2 2 292.383 0.896 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493647635 528014989 /nfs/dbraw/zinc/01/49/89/528014989.db2.gz QZJCCPLRYSWZRJ-ITDFMYJTSA-N 2 2 292.383 0.896 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)NCC[NH2+]C1CC1 ZINC000669292916 545204512 /nfs/dbraw/zinc/20/45/12/545204512.db2.gz UMPOEUYDABYRON-UHFFFAOYSA-N 2 2 277.372 0.699 20 0 CCADLP C[C@@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000669412549 545207687 /nfs/dbraw/zinc/20/76/87/545207687.db2.gz SZQSBOMFYIAILJ-JQWIXIFHSA-N 2 2 254.378 0.317 20 0 CCADLP C[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000669412549 545207688 /nfs/dbraw/zinc/20/76/88/545207688.db2.gz SZQSBOMFYIAILJ-JQWIXIFHSA-N 2 2 254.378 0.317 20 0 CCADLP Cc1cccc(CCNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000669432354 545208098 /nfs/dbraw/zinc/20/80/98/545208098.db2.gz MIPCTKKNYXGRCF-HNNXBMFYSA-N 2 2 290.411 0.822 20 0 CCADLP Cc1cccc(CCNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000669432354 545208099 /nfs/dbraw/zinc/20/80/99/545208099.db2.gz MIPCTKKNYXGRCF-HNNXBMFYSA-N 2 2 290.411 0.822 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669461677 545208731 /nfs/dbraw/zinc/20/87/31/545208731.db2.gz OECVZWFJVXEMFL-HZSPNIEDSA-N 2 2 296.415 0.101 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669461677 545208732 /nfs/dbraw/zinc/20/87/32/545208732.db2.gz OECVZWFJVXEMFL-HZSPNIEDSA-N 2 2 296.415 0.101 20 0 CCADLP COC[C@@H](C)NC(=[NH2+])NCCc1cn2c([nH+]1)CCCC2 ZINC000363483968 536526696 /nfs/dbraw/zinc/52/66/96/536526696.db2.gz OZLAUSXMDYYFIR-LLVKDONJSA-N 2 2 279.388 0.911 20 0 CCADLP CC1=CC[N@H+](CCNc2cc(NC[C@H](C)O)[nH+]cn2)CC1 ZINC000413234349 528119910 /nfs/dbraw/zinc/11/99/10/528119910.db2.gz PBZCSMBHLWMXQX-ZDUSSCGKSA-N 2 2 291.399 0.755 20 0 CCADLP CC1=CC[N@@H+](CCNc2cc(NC[C@H](C)O)[nH+]cn2)CC1 ZINC000413234349 528119914 /nfs/dbraw/zinc/11/99/14/528119914.db2.gz PBZCSMBHLWMXQX-ZDUSSCGKSA-N 2 2 291.399 0.755 20 0 CCADLP CCOC(=O)c1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)[nH]c1C ZINC000449241505 528169440 /nfs/dbraw/zinc/16/94/40/528169440.db2.gz BKWAASFYCLQQNI-HNNXBMFYSA-N 2 2 295.383 0.656 20 0 CCADLP CCOC(=O)c1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)[nH]c1C ZINC000449241505 528169446 /nfs/dbraw/zinc/16/94/46/528169446.db2.gz BKWAASFYCLQQNI-HNNXBMFYSA-N 2 2 295.383 0.656 20 0 CCADLP [NH3+][C@H](C(=O)NCC[NH2+]C1CC1)c1c(F)cccc1F ZINC000669510336 545211463 /nfs/dbraw/zinc/21/14/63/545211463.db2.gz JVJKZKFSYLZDEP-LBPRGKRZSA-N 2 2 269.295 0.833 20 0 CCADLP Cc1cccn2cc(CCNC(=O)NCCC[NH3+])[nH+]c12 ZINC000669511847 545211484 /nfs/dbraw/zinc/21/14/84/545211484.db2.gz JMGNVLPCCPOLDX-UHFFFAOYSA-N 2 2 275.356 0.833 20 0 CCADLP [NH3+][C@H](CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1CC1 ZINC000669542797 545214112 /nfs/dbraw/zinc/21/41/12/545214112.db2.gz IAVKQRHUDOGTBA-QWHCGFSZSA-N 2 2 289.383 0.697 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)NC[C@H](C)[NH3+])cn21 ZINC000669554559 545214476 /nfs/dbraw/zinc/21/44/76/545214476.db2.gz ROKISUDLOBQOKJ-VIFPVBQESA-N 2 2 261.329 0.789 20 0 CCADLP C[C@H]1C[N@H+](CCN2CC[NH+](CCO)C(C)(C)C2)CCO1 ZINC000669693480 545219498 /nfs/dbraw/zinc/21/94/98/545219498.db2.gz ZHMJCBSMXIUNGW-AWEZNQCLSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H]1C[N@@H+](CCN2CC[NH+](CCO)C(C)(C)C2)CCO1 ZINC000669693480 545219499 /nfs/dbraw/zinc/21/94/99/545219499.db2.gz ZHMJCBSMXIUNGW-AWEZNQCLSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H]1C[NH+](CCN2CC[N@H+](CCO)C(C)(C)C2)CCO1 ZINC000669693480 545219500 /nfs/dbraw/zinc/21/95/00/545219500.db2.gz ZHMJCBSMXIUNGW-AWEZNQCLSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H]1C[NH+](CCN2CC[N@@H+](CCO)C(C)(C)C2)CCO1 ZINC000669693480 545219501 /nfs/dbraw/zinc/21/95/01/545219501.db2.gz ZHMJCBSMXIUNGW-AWEZNQCLSA-N 2 2 285.432 0.096 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000423614830 528419350 /nfs/dbraw/zinc/41/93/50/528419350.db2.gz XSXZTRKXGJENRN-LLVKDONJSA-N 2 2 273.340 0.995 20 0 CCADLP CN(C)c1c[nH+]ccc1NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000670078656 545228053 /nfs/dbraw/zinc/22/80/53/545228053.db2.gz OAYYIQCGSMFRLF-UHFFFAOYSA-N 2 2 289.383 0.881 20 0 CCADLP CC(C)[C@@H](C[NH3+])C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000423738139 528440911 /nfs/dbraw/zinc/44/09/11/528440911.db2.gz FRULHAKLDPTXOD-CYBMUJFWSA-N 2 2 293.415 0.295 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418404246 528522539 /nfs/dbraw/zinc/52/25/39/528522539.db2.gz KHUVIWSWTQDAMF-XQQFMLRXSA-N 2 2 284.404 0.132 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418404246 528522541 /nfs/dbraw/zinc/52/25/41/528522541.db2.gz KHUVIWSWTQDAMF-XQQFMLRXSA-N 2 2 284.404 0.132 20 0 CCADLP CN1CC[C@@H]([N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1=O ZINC000670985287 545240912 /nfs/dbraw/zinc/24/09/12/545240912.db2.gz NFZHKOXXACIIOJ-UONOGXRCSA-N 2 2 281.400 0.404 20 0 CCADLP CN1CC[C@@H]([N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1=O ZINC000670985287 545240913 /nfs/dbraw/zinc/24/09/13/545240913.db2.gz NFZHKOXXACIIOJ-UONOGXRCSA-N 2 2 281.400 0.404 20 0 CCADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)[C@H](C)C1 ZINC000423527169 528669366 /nfs/dbraw/zinc/66/93/66/528669366.db2.gz RJUFDXTWPATGMJ-PMPSAXMXSA-N 3 2 299.459 0.701 20 0 CCADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)[C@H](C)C1 ZINC000423527169 528669368 /nfs/dbraw/zinc/66/93/68/528669368.db2.gz RJUFDXTWPATGMJ-PMPSAXMXSA-N 3 2 299.459 0.701 20 0 CCADLP CCC[C@@H]([NH3+])C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000423779962 528963540 /nfs/dbraw/zinc/96/35/40/528963540.db2.gz IVGNWQVTGSWMGW-GFCCVEGCSA-N 2 2 277.372 0.561 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CNc1cc[nH+]c(N2CCOCC2)n1 ZINC000450219595 529103177 /nfs/dbraw/zinc/10/31/77/529103177.db2.gz WVCSRUDZPVEZTN-ZDUSSCGKSA-N 2 2 291.399 0.631 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNc1cc[nH+]c(N2CCOCC2)n1 ZINC000450219595 529103180 /nfs/dbraw/zinc/10/31/80/529103180.db2.gz WVCSRUDZPVEZTN-ZDUSSCGKSA-N 2 2 291.399 0.631 20 0 CCADLP Cc1ncoc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673838518 545293404 /nfs/dbraw/zinc/29/34/04/545293404.db2.gz OLYBDVVBHNGZAF-LBPRGKRZSA-N 2 2 292.383 0.881 20 0 CCADLP Cc1ncoc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673838518 545293405 /nfs/dbraw/zinc/29/34/05/545293405.db2.gz OLYBDVVBHNGZAF-LBPRGKRZSA-N 2 2 292.383 0.881 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)NCCCC[NH3+])CCO1 ZINC000418509990 529292897 /nfs/dbraw/zinc/29/28/97/529292897.db2.gz NAZWNIWSJOMERL-LBPRGKRZSA-N 2 2 272.393 0.135 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)NCCCC[NH3+])CCO1 ZINC000418509990 529292899 /nfs/dbraw/zinc/29/28/99/529292899.db2.gz NAZWNIWSJOMERL-LBPRGKRZSA-N 2 2 272.393 0.135 20 0 CCADLP C[C@@H](C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)[NH+](C)C ZINC000674244949 545301289 /nfs/dbraw/zinc/30/12/89/545301289.db2.gz UFAAEFGGFRCBOI-UPJWGTAASA-N 2 2 285.432 0.941 20 0 CCADLP C([C@@H]1CC[N@@H+]([C@@H]2CCCOC2)C1)[NH+]1CCOCC1 ZINC000674302231 545303746 /nfs/dbraw/zinc/30/37/46/545303746.db2.gz KOARYENHHOSWFQ-UONOGXRCSA-N 2 2 254.374 0.820 20 0 CCADLP C([C@@H]1CC[N@H+]([C@@H]2CCCOC2)C1)[NH+]1CCOCC1 ZINC000674302231 545303747 /nfs/dbraw/zinc/30/37/47/545303747.db2.gz KOARYENHHOSWFQ-UONOGXRCSA-N 2 2 254.374 0.820 20 0 CCADLP C[NH+]1CCN(C[C@H]2C[N@@H+]([C@H]3CCCOC3)CCO2)CC1 ZINC000674301986 545303853 /nfs/dbraw/zinc/30/38/53/545303853.db2.gz XSHIFMOVYQBYTL-GJZGRUSLSA-N 2 2 283.416 0.114 20 0 CCADLP C[NH+]1CCN(C[C@H]2C[N@H+]([C@H]3CCCOC3)CCO2)CC1 ZINC000674301986 545303854 /nfs/dbraw/zinc/30/38/54/545303854.db2.gz XSHIFMOVYQBYTL-GJZGRUSLSA-N 2 2 283.416 0.114 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC000517326903 535115655 /nfs/dbraw/zinc/11/56/55/535115655.db2.gz RFTIHRIDKCBDNI-CABCVRRESA-N 2 2 296.415 0.190 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC000517326903 535115658 /nfs/dbraw/zinc/11/56/58/535115658.db2.gz RFTIHRIDKCBDNI-CABCVRRESA-N 2 2 296.415 0.190 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000262917348 535189302 /nfs/dbraw/zinc/18/93/02/535189302.db2.gz GLFSXQIFNIOCCC-JTQLQIEISA-N 2 2 261.316 0.536 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2nncn2C)CC1 ZINC000347674048 535199215 /nfs/dbraw/zinc/19/92/15/535199215.db2.gz KRPUFWKOQSAYAI-UHFFFAOYSA-N 2 2 294.447 0.663 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675280086 545324194 /nfs/dbraw/zinc/32/41/94/545324194.db2.gz CQVUECHZDZKOLH-ZIAGYGMSSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675280086 545324195 /nfs/dbraw/zinc/32/41/95/545324195.db2.gz CQVUECHZDZKOLH-ZIAGYGMSSA-N 2 2 281.400 0.404 20 0 CCADLP C[NH+]1CCN(c2ncc(C[NH2+]Cc3ccccn3)cn2)CC1 ZINC000675552149 545328255 /nfs/dbraw/zinc/32/82/55/545328255.db2.gz NXRDZEDMPGKISP-UHFFFAOYSA-N 2 2 298.394 0.913 20 0 CCADLP CC[C@@H](C(=O)N[C@H](C)C[NH+](C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000346165052 535424700 /nfs/dbraw/zinc/42/47/00/535424700.db2.gz DMHAMCDRSUHJQJ-MCIONIFRSA-N 2 2 285.432 0.942 20 0 CCADLP CC[C@@H](C(=O)N[C@H](C)C[NH+](C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000346165052 535424704 /nfs/dbraw/zinc/42/47/04/535424704.db2.gz DMHAMCDRSUHJQJ-MCIONIFRSA-N 2 2 285.432 0.942 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)NCCC[NH+](C)C ZINC000676136103 545335654 /nfs/dbraw/zinc/33/56/54/545335654.db2.gz VAKPKRPXBGSGLB-UHFFFAOYSA-N 2 2 267.377 0.866 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360554317 535542067 /nfs/dbraw/zinc/54/20/67/535542067.db2.gz VWOVKHWKFDLWSC-DZGCQCFKSA-N 2 2 283.416 0.603 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360554317 535542072 /nfs/dbraw/zinc/54/20/72/535542072.db2.gz VWOVKHWKFDLWSC-DZGCQCFKSA-N 2 2 283.416 0.603 20 0 CCADLP CC[N@@H+]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC000341838894 535610426 /nfs/dbraw/zinc/61/04/26/535610426.db2.gz IMCNVCLMYBXWSP-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP CC[N@H+]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC000341838894 535610428 /nfs/dbraw/zinc/61/04/28/535610428.db2.gz IMCNVCLMYBXWSP-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@@H](Cn1cncn1)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000516939593 535778026 /nfs/dbraw/zinc/77/80/26/535778026.db2.gz GVZKPJDUHBNQIK-STQMWFEESA-N 2 2 251.378 0.988 20 0 CCADLP CC[C@@H](Cn1cncn1)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000516939593 535778030 /nfs/dbraw/zinc/77/80/30/535778030.db2.gz GVZKPJDUHBNQIK-STQMWFEESA-N 2 2 251.378 0.988 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CC2CCOCC2)CC1 ZINC000678079801 545383978 /nfs/dbraw/zinc/38/39/78/545383978.db2.gz DKHQLTYVFPMNHF-HNNXBMFYSA-N 2 2 295.427 0.827 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CC2CCOCC2)CC1 ZINC000678079801 545383979 /nfs/dbraw/zinc/38/39/79/545383979.db2.gz DKHQLTYVFPMNHF-HNNXBMFYSA-N 2 2 295.427 0.827 20 0 CCADLP C[NH2+][C@@H](C)CNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000261815791 536343287 /nfs/dbraw/zinc/34/32/87/536343287.db2.gz TYKGQFYZTZRIPD-JTQLQIEISA-N 2 2 259.313 0.605 20 0 CCADLP C[NH2+][C@@H]1CCN(C(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000269102476 536370466 /nfs/dbraw/zinc/37/04/66/536370466.db2.gz ALJLLATUTSNULL-LLVKDONJSA-N 2 2 258.325 0.697 20 0 CCADLP C[NH2+][C@H](C(=O)Nc1cc[nH+]c(N(C)C)c1)c1cnn(C)c1 ZINC000262355470 536387940 /nfs/dbraw/zinc/38/79/40/536387940.db2.gz JNDOXOVSJZRDIG-ZDUSSCGKSA-N 2 2 288.355 0.780 20 0 CCADLP COC(=O)N1CCC(C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)CC1 ZINC000496686347 536407666 /nfs/dbraw/zinc/40/76/66/536407666.db2.gz RJLYICIPLNJRJK-OCCSQVGLSA-N 2 2 299.415 0.821 20 0 CCADLP COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1CCCn1cc[nH+]c1C ZINC000372310287 536533956 /nfs/dbraw/zinc/53/39/56/536533956.db2.gz BVRYRQAILWQHCJ-STQMWFEESA-N 2 2 281.356 0.844 20 0 CCADLP COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1CCCn1cc[nH+]c1C ZINC000372310287 536533961 /nfs/dbraw/zinc/53/39/61/536533961.db2.gz BVRYRQAILWQHCJ-STQMWFEESA-N 2 2 281.356 0.844 20 0 CCADLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]Cc2cn[nH]c2)C1=O ZINC000679933417 545419195 /nfs/dbraw/zinc/41/91/95/545419195.db2.gz BTVCOVUERWOEJH-LBPRGKRZSA-N 2 2 288.355 0.424 20 0 CCADLP COCC[N@@H+]1CC[C@H]([NH2+]CCCc2cnn(C)c2)C1 ZINC000680117521 545423082 /nfs/dbraw/zinc/42/30/82/545423082.db2.gz AIYNZMUXOCHNRP-AWEZNQCLSA-N 2 2 266.389 0.663 20 0 CCADLP COCC[N@H+]1CC[C@H]([NH2+]CCCc2cnn(C)c2)C1 ZINC000680117521 545423083 /nfs/dbraw/zinc/42/30/83/545423083.db2.gz AIYNZMUXOCHNRP-AWEZNQCLSA-N 2 2 266.389 0.663 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@]3(C)CCOC3)C2)CC1 ZINC000680396913 545427589 /nfs/dbraw/zinc/42/75/89/545427589.db2.gz BNRLUMKCYLXIBH-CJNGLKHVSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@]3(C)CCOC3)C2)CC1 ZINC000680396913 545427590 /nfs/dbraw/zinc/42/75/90/545427590.db2.gz BNRLUMKCYLXIBH-CJNGLKHVSA-N 2 2 295.427 0.698 20 0 CCADLP COCCn1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000357116970 536842342 /nfs/dbraw/zinc/84/23/42/536842342.db2.gz CIVIOOWVJYDGMZ-KBPBESRZSA-N 2 2 264.373 0.571 20 0 CCADLP COCCn1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000357116970 536842345 /nfs/dbraw/zinc/84/23/45/536842345.db2.gz CIVIOOWVJYDGMZ-KBPBESRZSA-N 2 2 264.373 0.571 20 0 CCADLP COC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000262189582 536862659 /nfs/dbraw/zinc/86/26/59/536862659.db2.gz CDHWEEQONNRTNC-AWEZNQCLSA-N 2 2 277.368 0.135 20 0 CCADLP COC[C@H]([NH3+])C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000262189582 536862664 /nfs/dbraw/zinc/86/26/64/536862664.db2.gz CDHWEEQONNRTNC-AWEZNQCLSA-N 2 2 277.368 0.135 20 0 CCADLP COC[C@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000262387004 536864101 /nfs/dbraw/zinc/86/41/01/536864101.db2.gz YMHBUPKBFRCAPK-PWSUYJOCSA-N 2 2 297.424 0.585 20 0 CCADLP COC[C@H]([NH3+])C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000262387004 536864107 /nfs/dbraw/zinc/86/41/07/536864107.db2.gz YMHBUPKBFRCAPK-PWSUYJOCSA-N 2 2 297.424 0.585 20 0 CCADLP COCC[NH2+]C1CC[NH+]([C@@H](C)C(=O)N(C)C)CC1 ZINC000515306100 536892851 /nfs/dbraw/zinc/89/28/51/536892851.db2.gz URZJJHJPZTXCRP-NSHDSACASA-N 2 2 257.378 0.164 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000681343060 545451162 /nfs/dbraw/zinc/45/11/62/545451162.db2.gz HVKABWCWKPKIRS-GFCCVEGCSA-N 2 2 250.346 0.563 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC000681343060 545451163 /nfs/dbraw/zinc/45/11/63/545451163.db2.gz HVKABWCWKPKIRS-GFCCVEGCSA-N 2 2 250.346 0.563 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)Nc1cc[nH+]cc1N(C)C ZINC000681358155 545451835 /nfs/dbraw/zinc/45/18/35/545451835.db2.gz RVKYPRCWGKXBRP-GFCCVEGCSA-N 2 2 292.383 0.476 20 0 CCADLP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000681552028 545455916 /nfs/dbraw/zinc/45/59/16/545455916.db2.gz QTNGEOWNMVZXJD-RYUDHWBXSA-N 2 2 262.357 0.513 20 0 CCADLP C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000681552028 545455917 /nfs/dbraw/zinc/45/59/17/545455917.db2.gz QTNGEOWNMVZXJD-RYUDHWBXSA-N 2 2 262.357 0.513 20 0 CCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC(n2cc[nH+]c2)C1 ZINC000682503311 545480971 /nfs/dbraw/zinc/48/09/71/545480971.db2.gz RGEXALZDQNROGV-NSHDSACASA-N 2 2 271.324 0.726 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000684458772 545674104 /nfs/dbraw/zinc/67/41/04/545674104.db2.gz VWGRQMOPICNBDS-AWEZNQCLSA-N 2 2 292.383 0.286 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+](CC(N)=O)C1CCCC1)C1CC1 ZINC000685562621 545834005 /nfs/dbraw/zinc/83/40/05/545834005.db2.gz ZBUWRGILRYWDSV-CYBMUJFWSA-N 2 2 269.389 0.171 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+](CC(N)=O)C1CCCC1)C1CC1 ZINC000685562621 545834009 /nfs/dbraw/zinc/83/40/09/545834009.db2.gz ZBUWRGILRYWDSV-CYBMUJFWSA-N 2 2 269.389 0.171 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+](CC(N)=O)C1CCCC1)C1CC1 ZINC000685562621 545834013 /nfs/dbraw/zinc/83/40/13/545834013.db2.gz ZBUWRGILRYWDSV-CYBMUJFWSA-N 2 2 269.389 0.171 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+](CC(N)=O)C1CCCC1)C1CC1 ZINC000685562621 545834015 /nfs/dbraw/zinc/83/40/15/545834015.db2.gz ZBUWRGILRYWDSV-CYBMUJFWSA-N 2 2 269.389 0.171 20 0 CCADLP CO[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962292952 649897630 /nfs/dbraw/zinc/89/76/30/649897630.db2.gz KYAIVOAPNFQSJK-PBOSXPJTSA-N 2 2 292.383 0.044 20 0 CCADLP CO[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962292952 649897633 /nfs/dbraw/zinc/89/76/33/649897633.db2.gz KYAIVOAPNFQSJK-PBOSXPJTSA-N 2 2 292.383 0.044 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1[C@H]2C[N@@H+](C(C)C)C[C@H]21 ZINC000962411125 649900179 /nfs/dbraw/zinc/90/01/79/649900179.db2.gz XGEJAQWOBXSYGV-YABSGUDNSA-N 2 2 262.357 0.715 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1[C@H]2C[N@H+](C(C)C)C[C@H]21 ZINC000962411125 649900181 /nfs/dbraw/zinc/90/01/81/649900181.db2.gz XGEJAQWOBXSYGV-YABSGUDNSA-N 2 2 262.357 0.715 20 0 CCADLP C[C@H]1NC(=O)N([C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000777651846 581128597 /nfs/dbraw/zinc/12/85/97/581128597.db2.gz GCTKZHRHWQQEBB-ZYHUDNBSSA-N 2 2 280.372 0.095 20 0 CCADLP C[C@H]1NC(=O)N([C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000777651846 581128598 /nfs/dbraw/zinc/12/85/98/581128598.db2.gz GCTKZHRHWQQEBB-ZYHUDNBSSA-N 2 2 280.372 0.095 20 0 CCADLP Cc1nonc1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000778953162 581171042 /nfs/dbraw/zinc/17/10/42/581171042.db2.gz KSROFOMOPFQABU-UHFFFAOYSA-N 2 2 267.377 0.447 20 0 CCADLP Cc1nonc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000778953162 581171043 /nfs/dbraw/zinc/17/10/43/581171043.db2.gz KSROFOMOPFQABU-UHFFFAOYSA-N 2 2 267.377 0.447 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC000790132244 581177625 /nfs/dbraw/zinc/17/76/25/581177625.db2.gz MSSGSDNLQHMNGU-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@@H]1CC1(C)C ZINC000397684545 581179733 /nfs/dbraw/zinc/17/97/33/581179733.db2.gz MXEJGEKWXJWLKQ-NEPJUHHUSA-N 2 2 253.390 0.785 20 0 CCADLP C[C@@H]1OCC[C@]12C[N@H+](C[C@@H](O)C[NH+]1CCCC1)CCO2 ZINC000791586625 581225250 /nfs/dbraw/zinc/22/52/50/581225250.db2.gz VMMSBEPOFNRPNU-KKUMJFAQSA-N 2 2 284.400 0.323 20 0 CCADLP C[C@@H]1OCC[C@]12C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)CCO2 ZINC000791586625 581225252 /nfs/dbraw/zinc/22/52/52/581225252.db2.gz VMMSBEPOFNRPNU-KKUMJFAQSA-N 2 2 284.400 0.323 20 0 CCADLP C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)CC[N@@H+]1C ZINC000748351019 581275081 /nfs/dbraw/zinc/27/50/81/581275081.db2.gz IWTFFLCWBHNRIV-NSHDSACASA-N 2 2 286.339 0.438 20 0 CCADLP C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)CC[N@H+]1C ZINC000748351019 581275082 /nfs/dbraw/zinc/27/50/82/581275082.db2.gz IWTFFLCWBHNRIV-NSHDSACASA-N 2 2 286.339 0.438 20 0 CCADLP OC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000782062123 581286904 /nfs/dbraw/zinc/28/69/04/581286904.db2.gz FTSCNHRXHKYXIR-LSDHHAIUSA-N 2 2 282.359 0.905 20 0 CCADLP C[N@@H+]1CC[C@@]2(CC[NH+](CN3C[C@]4(CCOC4)CC3=O)C2)C1 ZINC000793763212 581312083 /nfs/dbraw/zinc/31/20/83/581312083.db2.gz DIEOXCVPFJYMBD-CVEARBPZSA-N 2 2 293.411 0.611 20 0 CCADLP C[N@H+]1CC[C@@]2(CC[NH+](CN3C[C@]4(CCOC4)CC3=O)C2)C1 ZINC000793763212 581312086 /nfs/dbraw/zinc/31/20/86/581312086.db2.gz DIEOXCVPFJYMBD-CVEARBPZSA-N 2 2 293.411 0.611 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@H+](CN3C[C@]4(CCOC4)CC3=O)C2)C1 ZINC000793763212 581312088 /nfs/dbraw/zinc/31/20/88/581312088.db2.gz DIEOXCVPFJYMBD-CVEARBPZSA-N 2 2 293.411 0.611 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@@H+](CN3C[C@]4(CCOC4)CC3=O)C2)C1 ZINC000793763212 581312091 /nfs/dbraw/zinc/31/20/91/581312091.db2.gz DIEOXCVPFJYMBD-CVEARBPZSA-N 2 2 293.411 0.611 20 0 CCADLP C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000796375542 581438774 /nfs/dbraw/zinc/43/87/74/581438774.db2.gz LQIKRONZTWFTKG-CABZTGNLSA-N 2 2 282.413 0.819 20 0 CCADLP CCON(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000753524713 581545986 /nfs/dbraw/zinc/54/59/86/581545986.db2.gz XZGPIDFXXLMVDV-LBPRGKRZSA-N 2 2 284.404 0.748 20 0 CCADLP CCON(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000753524713 581545990 /nfs/dbraw/zinc/54/59/90/581545990.db2.gz XZGPIDFXXLMVDV-LBPRGKRZSA-N 2 2 284.404 0.748 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+](CCN2CCOC2=O)CC1 ZINC000734485516 581565943 /nfs/dbraw/zinc/56/59/43/581565943.db2.gz LEUDHOSIGCJRNV-UHFFFAOYSA-N 2 2 285.388 0.217 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+](CCN2CCOC2=O)CC1 ZINC000734485516 581565944 /nfs/dbraw/zinc/56/59/44/581565944.db2.gz LEUDHOSIGCJRNV-UHFFFAOYSA-N 2 2 285.388 0.217 20 0 CCADLP Cc1cnc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cn1 ZINC000734487893 581566073 /nfs/dbraw/zinc/56/60/73/581566073.db2.gz YPYFQDHSTZGCJP-MRXNPFEDSA-N 2 2 289.427 0.997 20 0 CCADLP Cc1cnc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cn1 ZINC000734487893 581566076 /nfs/dbraw/zinc/56/60/76/581566076.db2.gz YPYFQDHSTZGCJP-MRXNPFEDSA-N 2 2 289.427 0.997 20 0 CCADLP C(C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)C1OCCCO1 ZINC000754665907 581603706 /nfs/dbraw/zinc/60/37/06/581603706.db2.gz SACICZHROVAZFS-AWEZNQCLSA-N 2 2 284.400 0.794 20 0 CCADLP C(C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)C1OCCCO1 ZINC000754665907 581603710 /nfs/dbraw/zinc/60/37/10/581603710.db2.gz SACICZHROVAZFS-AWEZNQCLSA-N 2 2 284.400 0.794 20 0 CCADLP O=C1OCCN1CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000729921039 581621879 /nfs/dbraw/zinc/62/18/79/581621879.db2.gz SVPSBIMMOUZLQV-LBPRGKRZSA-N 2 2 264.329 0.972 20 0 CCADLP O=C1OCCN1CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000729921039 581621882 /nfs/dbraw/zinc/62/18/82/581621882.db2.gz SVPSBIMMOUZLQV-LBPRGKRZSA-N 2 2 264.329 0.972 20 0 CCADLP C[C@@H]1C[N@H+](CCC2OCCO2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000767824060 581632242 /nfs/dbraw/zinc/63/22/42/581632242.db2.gz XWZSBHGPCCMNAI-HUUCEWRRSA-N 2 2 297.443 0.707 20 0 CCADLP C[C@@H]1C[N@@H+](CCC2OCCO2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000767824060 581632243 /nfs/dbraw/zinc/63/22/43/581632243.db2.gz XWZSBHGPCCMNAI-HUUCEWRRSA-N 2 2 297.443 0.707 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000768165179 581646179 /nfs/dbraw/zinc/64/61/79/581646179.db2.gz PAGUXFNJGHNFEG-AWEZNQCLSA-N 2 2 284.400 0.325 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCOC2(CCOCC2)C1 ZINC000768165179 581646182 /nfs/dbraw/zinc/64/61/82/581646182.db2.gz PAGUXFNJGHNFEG-AWEZNQCLSA-N 2 2 284.400 0.325 20 0 CCADLP O=C1OCCN1CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000741811387 581764173 /nfs/dbraw/zinc/76/41/73/581764173.db2.gz YZBVHFJWSXNZAJ-CYBMUJFWSA-N 2 2 283.372 0.093 20 0 CCADLP O=C1OCCN1CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000741811387 581764177 /nfs/dbraw/zinc/76/41/77/581764177.db2.gz YZBVHFJWSXNZAJ-CYBMUJFWSA-N 2 2 283.372 0.093 20 0 CCADLP Cc1cc(N2CC[NH+](CC[S@@](C)=O)CC2)nc(C)[nH+]1 ZINC000771146003 581793322 /nfs/dbraw/zinc/79/33/22/581793322.db2.gz LKHQQVQFYDSLNR-LJQANCHMSA-N 2 2 282.413 0.594 20 0 CCADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@H]1CCNC1=O ZINC000759434454 581798759 /nfs/dbraw/zinc/79/87/59/581798759.db2.gz RFIFURKTJSDDJF-LBPRGKRZSA-N 2 2 271.324 0.588 20 0 CCADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@H]1CCNC1=O ZINC000759434454 581798760 /nfs/dbraw/zinc/79/87/60/581798760.db2.gz RFIFURKTJSDDJF-LBPRGKRZSA-N 2 2 271.324 0.588 20 0 CCADLP C[N@H+](CCc1cnccn1)C[C@@H](O)C[NH+]1CCCC1 ZINC000771465597 581804754 /nfs/dbraw/zinc/80/47/54/581804754.db2.gz VQVKUXBPIMFRMO-CQSZACIVSA-N 2 2 264.373 0.408 20 0 CCADLP C[N@@H+](CCc1cnccn1)C[C@@H](O)C[NH+]1CCCC1 ZINC000771465597 581804759 /nfs/dbraw/zinc/80/47/59/581804759.db2.gz VQVKUXBPIMFRMO-CQSZACIVSA-N 2 2 264.373 0.408 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000761075022 581885602 /nfs/dbraw/zinc/88/56/02/581885602.db2.gz ZMRFFNBBVYOJOC-KBPBESRZSA-N 2 2 282.432 0.175 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000761075022 581885607 /nfs/dbraw/zinc/88/56/07/581885607.db2.gz ZMRFFNBBVYOJOC-KBPBESRZSA-N 2 2 282.432 0.175 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1CNc1nc(N2CCCC2)cc[nH+]1 ZINC000733190904 581889992 /nfs/dbraw/zinc/88/99/92/581889992.db2.gz LRSWOZFKUCAQHR-ZDUSSCGKSA-N 2 2 290.415 0.735 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1CNc1nc(N2CCCC2)cc[nH+]1 ZINC000733190904 581889996 /nfs/dbraw/zinc/88/99/96/581889996.db2.gz LRSWOZFKUCAQHR-ZDUSSCGKSA-N 2 2 290.415 0.735 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CN1CCOC1=S ZINC000746654099 581921748 /nfs/dbraw/zinc/92/17/48/581921748.db2.gz XZQQCESNZCFNEV-JHJVBQTASA-N 2 2 299.440 0.745 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CN1CCOC1=S ZINC000746654099 581921749 /nfs/dbraw/zinc/92/17/49/581921749.db2.gz XZQQCESNZCFNEV-JHJVBQTASA-N 2 2 299.440 0.745 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCSCC1 ZINC000764402883 582043578 /nfs/dbraw/zinc/04/35/78/582043578.db2.gz SEKXWHDZHIDALZ-NWDGAFQWSA-N 2 2 271.430 0.586 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCSCC1 ZINC000764402883 582043582 /nfs/dbraw/zinc/04/35/82/582043582.db2.gz SEKXWHDZHIDALZ-NWDGAFQWSA-N 2 2 271.430 0.586 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)[C@H](C)C1)[NH+]1CCSCC1 ZINC000764403201 582044821 /nfs/dbraw/zinc/04/48/21/582044821.db2.gz SEKXWHDZHIDALZ-VXGBXAGGSA-N 2 2 271.430 0.586 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCSCC1 ZINC000764403201 582044824 /nfs/dbraw/zinc/04/48/24/582044824.db2.gz SEKXWHDZHIDALZ-VXGBXAGGSA-N 2 2 271.430 0.586 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)CC[NH+]1CCOCC1 ZINC000750865794 582061948 /nfs/dbraw/zinc/06/19/48/582061948.db2.gz ZSVFRWBVGQHYIV-UHFFFAOYSA-N 2 2 292.383 0.486 20 0 CCADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC000751370847 582076976 /nfs/dbraw/zinc/07/69/76/582076976.db2.gz WZYYOUJGNAVZOO-ZDUSSCGKSA-N 2 2 294.399 0.666 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000776956563 582093915 /nfs/dbraw/zinc/09/39/15/582093915.db2.gz NTPMTWXECGCAQM-UPJWGTAASA-N 2 2 270.373 0.448 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000776956563 582093916 /nfs/dbraw/zinc/09/39/16/582093916.db2.gz NTPMTWXECGCAQM-UPJWGTAASA-N 2 2 270.373 0.448 20 0 CCADLP c1cc(-c2nn[nH]n2)sc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000826515266 608859320 /nfs/dbraw/zinc/85/93/20/608859320.db2.gz SQXHELBXIOMXND-IUCAKERBSA-N 2 2 276.369 0.579 20 0 CCADLP CC(C)C[C@@H](C[NH+](C)C)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865012392 614187498 /nfs/dbraw/zinc/18/74/98/614187498.db2.gz GACQOERYRMXSMJ-YVACAVLKSA-N 2 2 297.443 0.967 20 0 CCADLP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000911833851 614181512 /nfs/dbraw/zinc/18/15/12/614181512.db2.gz SHERTBBPSVCWGX-SMDDNHRTSA-N 2 2 264.373 0.935 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000904463783 614193575 /nfs/dbraw/zinc/19/35/75/614193575.db2.gz SULFQRYRWPDHGS-GRYCIOLGSA-N 2 2 277.434 0.216 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[N@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000904463783 614193577 /nfs/dbraw/zinc/19/35/77/614193577.db2.gz SULFQRYRWPDHGS-GRYCIOLGSA-N 2 2 277.434 0.216 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC2(COC(=O)N2)CC1 ZINC000851924332 614263903 /nfs/dbraw/zinc/26/39/03/614263903.db2.gz YSZGBFVIRDBOQH-LBPRGKRZSA-N 2 2 285.388 0.262 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC2(COC(=O)N2)CC1 ZINC000851924332 614263904 /nfs/dbraw/zinc/26/39/04/614263904.db2.gz YSZGBFVIRDBOQH-LBPRGKRZSA-N 2 2 285.388 0.262 20 0 CCADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000876747086 613191654 /nfs/dbraw/zinc/19/16/54/613191654.db2.gz VEEKNZDAGFUOCB-KOABKASLSA-N 2 2 295.427 0.625 20 0 CCADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000876747086 613191657 /nfs/dbraw/zinc/19/16/57/613191657.db2.gz VEEKNZDAGFUOCB-KOABKASLSA-N 2 2 295.427 0.625 20 0 CCADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000876724031 613210276 /nfs/dbraw/zinc/21/02/76/613210276.db2.gz LPNFNBVCRCSACB-HUZDROCFSA-N 2 2 281.400 0.235 20 0 CCADLP C1CC2(C1)[C@H]([NH2+][C@@H]1C[NH2+]CCOC1)[C@H]1CCO[C@@H]12 ZINC000925630478 613222750 /nfs/dbraw/zinc/22/27/50/613222750.db2.gz OZRWLVHCGBROLY-LPWJVIDDSA-N 2 2 252.358 0.522 20 0 CCADLP C(C[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1)C1OCCO1 ZINC000880205582 613233429 /nfs/dbraw/zinc/23/34/29/613233429.db2.gz SWSOQFFPHJXICC-AWEZNQCLSA-N 2 2 284.400 0.982 20 0 CCADLP C(C[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1)C1OCCO1 ZINC000880205582 613233431 /nfs/dbraw/zinc/23/34/31/613233431.db2.gz SWSOQFFPHJXICC-AWEZNQCLSA-N 2 2 284.400 0.982 20 0 CCADLP C/C(=C/C(=O)NCC(C)(C)[NH+](C)C)C[NH+]1CCOCC1 ZINC000899965132 613235706 /nfs/dbraw/zinc/23/57/06/613235706.db2.gz UZPDEDKMLIVNKZ-RAXLEYEMSA-N 2 2 283.416 0.721 20 0 CCADLP C/C(=C\C(=O)N1CC[N@H+](C)[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000900849043 613250586 /nfs/dbraw/zinc/25/05/86/613250586.db2.gz WGUBLFWSNOJMBD-UELRPHRMSA-N 2 2 281.400 0.427 20 0 CCADLP C/C(=C\C(=O)N1CC[N@@H+](C)[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000900849043 613250588 /nfs/dbraw/zinc/25/05/88/613250588.db2.gz WGUBLFWSNOJMBD-UELRPHRMSA-N 2 2 281.400 0.427 20 0 CCADLP C/C(=C\C(=O)NC[C@@H]1CCC[N@H+]1C)C[NH+]1CCOCC1 ZINC000900695535 613257131 /nfs/dbraw/zinc/25/71/31/613257131.db2.gz QNQVFVIKSVDRGP-UELRPHRMSA-N 2 2 281.400 0.475 20 0 CCADLP C/C(=C\C(=O)NC[C@@H]1CCC[N@@H+]1C)C[NH+]1CCOCC1 ZINC000900695535 613257134 /nfs/dbraw/zinc/25/71/34/613257134.db2.gz QNQVFVIKSVDRGP-UELRPHRMSA-N 2 2 281.400 0.475 20 0 CCADLP CC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000860172921 613752358 /nfs/dbraw/zinc/75/23/58/613752358.db2.gz QRRSTFNJCGEMIT-GJZGRUSLSA-N 2 2 283.416 0.434 20 0 CCADLP CC(=O)NC[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000860172921 613752360 /nfs/dbraw/zinc/75/23/60/613752360.db2.gz QRRSTFNJCGEMIT-GJZGRUSLSA-N 2 2 283.416 0.434 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](CC[C@@H]2CCOC2=O)CC1 ZINC000846943014 613939103 /nfs/dbraw/zinc/93/91/03/613939103.db2.gz CMXXKFIEBAYFJD-CYBMUJFWSA-N 2 2 284.400 0.765 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H]2CC3(CC3)C(=O)O2)CC1 ZINC000846940268 613939252 /nfs/dbraw/zinc/93/92/52/613939252.db2.gz ROFPCSDSDADPOJ-ZDUSSCGKSA-N 2 2 296.411 0.907 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H]2COC(C)(C)O2)CC1 ZINC000852115193 613939666 /nfs/dbraw/zinc/93/96/66/613939666.db2.gz MVZMPJWBEMVVNM-ZDUSSCGKSA-N 2 2 286.416 0.963 20 0 CCADLP CC(C)OC[C@@H](O)C[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000871971151 614029325 /nfs/dbraw/zinc/02/93/25/614029325.db2.gz HRHWDJGKVDKGRJ-ZNMIVQPWSA-N 2 2 288.432 0.861 20 0 CCADLP CC(C)OC[C@@H](O)C[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000871971151 614029329 /nfs/dbraw/zinc/02/93/29/614029329.db2.gz HRHWDJGKVDKGRJ-ZNMIVQPWSA-N 2 2 288.432 0.861 20 0 CCADLP CC(C)(C[NH2+][C@H]1CC[NH2+]C12CCC2)CS(C)(=O)=O ZINC000925830930 614115258 /nfs/dbraw/zinc/11/52/58/614115258.db2.gz HCHGUUHGFZBJCC-NSHDSACASA-N 2 2 274.430 0.931 20 0 CCADLP CC(C)[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cnn(C)c1 ZINC000886516583 614127328 /nfs/dbraw/zinc/12/73/28/614127328.db2.gz OSJIUJCSWBYHRH-OAHLLOKOSA-N 2 2 293.415 0.481 20 0 CCADLP CC(C)([NH3+])CCNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000892849472 614159236 /nfs/dbraw/zinc/15/92/36/614159236.db2.gz KFSUBWRIJLQQOB-ZDUSSCGKSA-N 2 2 298.431 0.620 20 0 CCADLP CC(C)C[C@H](O)C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000817905523 614223513 /nfs/dbraw/zinc/22/35/13/614223513.db2.gz JQCJCXZUXICZLB-BFHYXJOUSA-N 2 2 256.390 0.750 20 0 CCADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)C[C@@H]([NH3+])C(F)F ZINC000911872134 614225511 /nfs/dbraw/zinc/22/55/11/614225511.db2.gz WXCMFDRXRDNDMZ-RKDXNWHRSA-N 2 2 251.321 0.801 20 0 CCADLP CC(C)c1c[nH]c(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)n1 ZINC000882979041 614315901 /nfs/dbraw/zinc/31/59/01/614315901.db2.gz LNSOWMXWVYRCQC-UHFFFAOYSA-N 2 2 293.415 0.787 20 0 CCADLP CC(C)N1CCC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1=O ZINC000931279758 614337357 /nfs/dbraw/zinc/33/73/57/614337357.db2.gz QMRLCKABTNSZJK-RQJABVFESA-N 2 2 265.401 0.878 20 0 CCADLP CC(C)N1CCC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1=O ZINC000931279758 614337359 /nfs/dbraw/zinc/33/73/59/614337359.db2.gz QMRLCKABTNSZJK-RQJABVFESA-N 2 2 265.401 0.878 20 0 CCADLP CCC[NH+]1CC(N(CC)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000949830280 614594146 /nfs/dbraw/zinc/59/41/46/614594146.db2.gz HVZXLVJIRVIJPZ-ZDUSSCGKSA-N 2 2 269.389 0.260 20 0 CCADLP CCC[NH+]1CC(N(CC)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000949830280 614594150 /nfs/dbraw/zinc/59/41/50/614594150.db2.gz HVZXLVJIRVIJPZ-ZDUSSCGKSA-N 2 2 269.389 0.260 20 0 CCADLP CCN(C(=O)NCC[NH+]1CCO[C@H](C)C1)[C@H]1CC[N@H+](C)C1 ZINC000853605681 614598776 /nfs/dbraw/zinc/59/87/76/614598776.db2.gz NXZSCRWCWYDORX-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP CCN(C(=O)NCC[NH+]1CCO[C@H](C)C1)[C@H]1CC[N@@H+](C)C1 ZINC000853605681 614598779 /nfs/dbraw/zinc/59/87/79/614598779.db2.gz NXZSCRWCWYDORX-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP CCN(C(=O)NCC[N@@H+]1CCO[C@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000853605681 614598782 /nfs/dbraw/zinc/59/87/82/614598782.db2.gz NXZSCRWCWYDORX-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP CCN(C(=O)NCC[N@H+]1CCO[C@H](C)C1)[C@H]1CC[NH+](C)C1 ZINC000853605681 614598786 /nfs/dbraw/zinc/59/87/86/614598786.db2.gz NXZSCRWCWYDORX-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CCO1 ZINC000870877285 614655815 /nfs/dbraw/zinc/65/58/15/614655815.db2.gz MJDKAEKJZFRBHT-XUJVJEKNSA-N 2 2 281.400 0.341 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CCO1 ZINC000870877285 614655817 /nfs/dbraw/zinc/65/58/17/614655817.db2.gz MJDKAEKJZFRBHT-XUJVJEKNSA-N 2 2 281.400 0.341 20 0 CCADLP CC1(C)C[N@H+](CCO)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941062007 614659096 /nfs/dbraw/zinc/65/90/96/614659096.db2.gz UJFWCLHITSSHHY-GFCCVEGCSA-N 2 2 280.372 0.161 20 0 CCADLP CC1(C)C[N@@H+](CCO)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000941062007 614659098 /nfs/dbraw/zinc/65/90/98/614659098.db2.gz UJFWCLHITSSHHY-GFCCVEGCSA-N 2 2 280.372 0.161 20 0 CCADLP CCC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925557528 614661869 /nfs/dbraw/zinc/66/18/69/614661869.db2.gz CAHSEIRFXGZKLF-VXGBXAGGSA-N 2 2 251.374 0.872 20 0 CCADLP CC1(C)C[N@H+](C[C@H](O)COC[C@H]2CCCO2)C[C@@H]1[NH3+] ZINC000923432320 614673869 /nfs/dbraw/zinc/67/38/69/614673869.db2.gz KRZOZDGSAAKOQR-XQQFMLRXSA-N 2 2 272.389 0.212 20 0 CCADLP CC1(C)C[N@@H+](C[C@H](O)COC[C@H]2CCCO2)C[C@@H]1[NH3+] ZINC000923432320 614673871 /nfs/dbraw/zinc/67/38/71/614673871.db2.gz KRZOZDGSAAKOQR-XQQFMLRXSA-N 2 2 272.389 0.212 20 0 CCADLP CCC1(CC)CNC(=O)[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)C(C)C ZINC000933287702 614683925 /nfs/dbraw/zinc/68/39/25/614683925.db2.gz ZAQNXRXWRZJVEG-OLZOCXBDSA-N 2 2 285.432 0.582 20 0 CCADLP CCC1(CC)CNC(=O)[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000933287702 614683928 /nfs/dbraw/zinc/68/39/28/614683928.db2.gz ZAQNXRXWRZJVEG-OLZOCXBDSA-N 2 2 285.432 0.582 20 0 CCADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)C1C[NH+](CC2CC2)C1 ZINC000949830366 614684133 /nfs/dbraw/zinc/68/41/33/614684133.db2.gz LAGAYIZMIOABKP-CQSZACIVSA-N 2 2 281.400 0.260 20 0 CCADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1C[NH+](CC2CC2)C1 ZINC000949830366 614684136 /nfs/dbraw/zinc/68/41/36/614684136.db2.gz LAGAYIZMIOABKP-CQSZACIVSA-N 2 2 281.400 0.260 20 0 CCADLP CCC[NH+]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000957667734 614687531 /nfs/dbraw/zinc/68/75/31/614687531.db2.gz PFFQWWXGXDPXMW-CQSZACIVSA-N 2 2 283.416 0.509 20 0 CCADLP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000902395699 614702394 /nfs/dbraw/zinc/70/23/94/614702394.db2.gz DUCHASUFDLFVGP-SNVBAGLBSA-N 3 2 279.388 0.509 20 0 CCADLP CC1(C)C[NH2+]C[C@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000884211676 614708744 /nfs/dbraw/zinc/70/87/44/614708744.db2.gz LITDJYUSMMASRC-LBPRGKRZSA-N 2 2 283.416 0.459 20 0 CCADLP CC1(C)C[NH2+]C[C@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000884211676 614708750 /nfs/dbraw/zinc/70/87/50/614708750.db2.gz LITDJYUSMMASRC-LBPRGKRZSA-N 2 2 283.416 0.459 20 0 CCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000925607156 614807554 /nfs/dbraw/zinc/80/75/54/614807554.db2.gz OKSOFPOQTPAAEY-MNOVXSKESA-N 2 2 275.418 0.141 20 0 CCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000925675138 614808689 /nfs/dbraw/zinc/80/86/89/614808689.db2.gz VZZQROLFSBBMCI-WDEREUQCSA-N 2 2 260.403 0.541 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccn(C)n2)CC1 ZINC000932142034 614849681 /nfs/dbraw/zinc/84/96/81/614849681.db2.gz IGECVZLMQSPMNI-CQSZACIVSA-N 2 2 280.416 0.912 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccn(C)n2)CC1 ZINC000932142034 614849682 /nfs/dbraw/zinc/84/96/82/614849682.db2.gz IGECVZLMQSPMNI-CQSZACIVSA-N 2 2 280.416 0.912 20 0 CCADLP CCCNC(=O)C[NH+]1CCC(N[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925543644 614850888 /nfs/dbraw/zinc/85/08/88/614850888.db2.gz NJCVKKZJTHDWIH-HIFRSBDPSA-N 2 2 296.459 0.707 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000932129468 614867020 /nfs/dbraw/zinc/86/70/20/614867020.db2.gz BQXVZRBXCNWMDT-KBPBESRZSA-N 2 2 280.416 0.912 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000932129468 614867024 /nfs/dbraw/zinc/86/70/24/614867024.db2.gz BQXVZRBXCNWMDT-KBPBESRZSA-N 2 2 280.416 0.912 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000932129468 614867027 /nfs/dbraw/zinc/86/70/27/614867027.db2.gz BQXVZRBXCNWMDT-KBPBESRZSA-N 2 2 280.416 0.912 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000932129468 614867028 /nfs/dbraw/zinc/86/70/28/614867028.db2.gz BQXVZRBXCNWMDT-KBPBESRZSA-N 2 2 280.416 0.912 20 0 CCADLP CC[N@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000972040761 614888942 /nfs/dbraw/zinc/88/89/42/614888942.db2.gz UOQAAUUWMNNFAE-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP CC[N@@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000972040761 614888943 /nfs/dbraw/zinc/88/89/43/614888943.db2.gz UOQAAUUWMNNFAE-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP CC1([NH+]2CCC2)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000922169754 614911569 /nfs/dbraw/zinc/91/15/69/614911569.db2.gz PKVNOABROSCEGG-UHFFFAOYSA-N 2 2 262.357 0.970 20 0 CCADLP CCCNc1cc(NCC[N@@H+]2CC[C@@H](O)C2)nc[nH+]1 ZINC000865973114 614921429 /nfs/dbraw/zinc/92/14/29/614921429.db2.gz QYZXGQHNRWOOFQ-LLVKDONJSA-N 2 2 265.361 0.777 20 0 CCADLP CCCNc1cc(NCC[N@H+]2CC[C@@H](O)C2)nc[nH+]1 ZINC000865973114 614921432 /nfs/dbraw/zinc/92/14/32/614921432.db2.gz QYZXGQHNRWOOFQ-LLVKDONJSA-N 2 2 265.361 0.777 20 0 CCADLP CCCOC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000842475642 614932656 /nfs/dbraw/zinc/93/26/56/614932656.db2.gz XBCBJDJOJYJODQ-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP CCCOC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000842475642 614932659 /nfs/dbraw/zinc/93/26/59/614932659.db2.gz XBCBJDJOJYJODQ-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP CC1=NO[C@@H](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000895300474 614989537 /nfs/dbraw/zinc/98/95/37/614989537.db2.gz MRRYEWCJERRUHK-ZIAGYGMSSA-N 2 2 267.373 0.994 20 0 CCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000816940183 615010013 /nfs/dbraw/zinc/01/00/13/615010013.db2.gz WKUZJMXLIQKWFV-LLVKDONJSA-N 2 2 250.346 0.895 20 0 CCADLP CC[NH2+]C[C@@H]1C[C@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC000980764794 615096246 /nfs/dbraw/zinc/09/62/46/615096246.db2.gz ZASVJVVAZOSCMN-RYUDHWBXSA-N 2 2 264.373 0.809 20 0 CCADLP CC[NH2+][C@@H](C)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC000979452475 615112046 /nfs/dbraw/zinc/11/20/46/615112046.db2.gz YWYORZLSLXHWBO-NWDGAFQWSA-N 2 2 266.345 0.109 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCOC)CC1 ZINC000957779245 615113760 /nfs/dbraw/zinc/11/37/60/615113760.db2.gz AKXXXSQDYKLSHU-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCOC)CC1 ZINC000957779245 615113761 /nfs/dbraw/zinc/11/37/61/615113761.db2.gz AKXXXSQDYKLSHU-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP CC[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000981458396 615115779 /nfs/dbraw/zinc/11/57/79/615115779.db2.gz XGMDAEVNPNFJGI-NEPJUHHUSA-N 2 2 264.373 1.000 20 0 CCADLP CC[N@@H+]1CCC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000824640033 615135007 /nfs/dbraw/zinc/13/50/07/615135007.db2.gz XYPPSKMRIJAOIV-LLVKDONJSA-N 2 2 250.346 0.800 20 0 CCADLP CC[N@H+]1CCC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000824640033 615135008 /nfs/dbraw/zinc/13/50/08/615135008.db2.gz XYPPSKMRIJAOIV-LLVKDONJSA-N 2 2 250.346 0.800 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CNC(=S)NCc1c[nH+]cn1C ZINC000811700703 615146208 /nfs/dbraw/zinc/14/62/08/615146208.db2.gz DUWJOSVARLMRTM-NSHDSACASA-N 2 2 281.429 0.869 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNC(=S)NCc1c[nH+]cn1C ZINC000811700703 615146209 /nfs/dbraw/zinc/14/62/09/615146209.db2.gz DUWJOSVARLMRTM-NSHDSACASA-N 2 2 281.429 0.869 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879579397 615214901 /nfs/dbraw/zinc/21/49/01/615214901.db2.gz KYOKEXINMKYKMF-FRRDWIJNSA-N 2 2 270.373 0.327 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879579397 615214902 /nfs/dbraw/zinc/21/49/02/615214902.db2.gz KYOKEXINMKYKMF-FRRDWIJNSA-N 2 2 270.373 0.327 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879579397 615214904 /nfs/dbraw/zinc/21/49/04/615214904.db2.gz KYOKEXINMKYKMF-FRRDWIJNSA-N 2 2 270.373 0.327 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879579397 615214908 /nfs/dbraw/zinc/21/49/08/615214908.db2.gz KYOKEXINMKYKMF-FRRDWIJNSA-N 2 2 270.373 0.327 20 0 CCADLP CCOCCCNC(=[NH2+])NCC[NH+]1CCSCC1 ZINC000849005922 615242518 /nfs/dbraw/zinc/24/25/18/615242518.db2.gz ZOINYHNWVCSXGG-UHFFFAOYSA-N 2 2 274.434 0.576 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCN(C(C)C)CC1 ZINC000922156336 615243172 /nfs/dbraw/zinc/24/31/72/615243172.db2.gz MUZBVNYHHMNJHG-OAHLLOKOSA-N 2 2 296.459 0.613 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCN(C(C)C)CC1 ZINC000922156336 615243174 /nfs/dbraw/zinc/24/31/74/615243174.db2.gz MUZBVNYHHMNJHG-OAHLLOKOSA-N 2 2 296.459 0.613 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC000884185162 615254479 /nfs/dbraw/zinc/25/44/79/615254479.db2.gz MLQVRSUNFMJHMA-CYBMUJFWSA-N 2 2 269.389 0.295 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000882486962 615255590 /nfs/dbraw/zinc/25/55/90/615255590.db2.gz YQYUFQWAZZIUTP-VXGBXAGGSA-N 2 2 262.357 0.656 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000882486962 615255592 /nfs/dbraw/zinc/25/55/92/615255592.db2.gz YQYUFQWAZZIUTP-VXGBXAGGSA-N 2 2 262.357 0.656 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC1CC[NH+](CC(C)(C)O)CC1 ZINC000895672645 615258565 /nfs/dbraw/zinc/25/85/65/615258565.db2.gz XAVFXGNPDMQDES-CQSZACIVSA-N 2 2 269.433 0.906 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC1CC[NH+](CC(C)(C)O)CC1 ZINC000895672645 615258566 /nfs/dbraw/zinc/25/85/66/615258566.db2.gz XAVFXGNPDMQDES-CQSZACIVSA-N 2 2 269.433 0.906 20 0 CCADLP CCN1CC[C@H]([N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)C1=O ZINC000879579042 615275011 /nfs/dbraw/zinc/27/50/11/615275011.db2.gz IVTXIDOIROFMJI-UPJWGTAASA-N 2 2 251.374 0.633 20 0 CCADLP CCN1CC[C@H]([N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)C1=O ZINC000879579042 615275014 /nfs/dbraw/zinc/27/50/14/615275014.db2.gz IVTXIDOIROFMJI-UPJWGTAASA-N 2 2 251.374 0.633 20 0 CCADLP CCN1CC[C@H]([NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)C1=O ZINC000879579042 615275015 /nfs/dbraw/zinc/27/50/15/615275015.db2.gz IVTXIDOIROFMJI-UPJWGTAASA-N 2 2 251.374 0.633 20 0 CCADLP CCN1CC[C@H]([NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)C1=O ZINC000879579042 615275018 /nfs/dbraw/zinc/27/50/18/615275018.db2.gz IVTXIDOIROFMJI-UPJWGTAASA-N 2 2 251.374 0.633 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000883900249 615314711 /nfs/dbraw/zinc/31/47/11/615314711.db2.gz GWQBGNNBDHMNID-UONOGXRCSA-N 2 2 296.415 0.197 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000883900249 615314714 /nfs/dbraw/zinc/31/47/14/615314714.db2.gz GWQBGNNBDHMNID-UONOGXRCSA-N 2 2 296.415 0.197 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902432384 615326934 /nfs/dbraw/zinc/32/69/34/615326934.db2.gz HEOYQOXOJDKCJH-GBJTYRQASA-N 2 2 289.379 0.494 20 0 CCADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC000829852103 615403781 /nfs/dbraw/zinc/40/37/81/615403781.db2.gz RDSPMHFBQHPPAR-NSHDSACASA-N 2 2 268.361 0.425 20 0 CCADLP CCO[C@@H](CNC(=O)N[C@@H](C)Cn1cc[nH+]c1)C[NH+](C)C ZINC000914196270 615407482 /nfs/dbraw/zinc/40/74/82/615407482.db2.gz MLFDVBWZBTZBDT-STQMWFEESA-N 2 2 297.403 0.538 20 0 CCADLP CCO[C@@H](CNc1nc[nH+]c(N)c1OC)C[NH+](C)C ZINC000896111361 615410961 /nfs/dbraw/zinc/41/09/61/615410961.db2.gz DRKAKILAONRBSB-VIFPVBQESA-N 2 2 269.349 0.446 20 0 CCADLP CCO[C@@H](CNc1[nH+]cnc(N)c1OC)C[NH+](C)C ZINC000896111361 615410964 /nfs/dbraw/zinc/41/09/64/615410964.db2.gz DRKAKILAONRBSB-VIFPVBQESA-N 2 2 269.349 0.446 20 0 CCADLP CC[C@@H](C)[C@H](NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1)C(=O)OC ZINC000923514444 615468227 /nfs/dbraw/zinc/46/82/27/615468227.db2.gz RVXNFVVYTFGPAJ-BYNQJWBRSA-N 2 2 299.415 0.217 20 0 CCADLP CC[C@@H](C)[C@H](NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1)C(=O)OC ZINC000923514444 615468228 /nfs/dbraw/zinc/46/82/28/615468228.db2.gz RVXNFVVYTFGPAJ-BYNQJWBRSA-N 2 2 299.415 0.217 20 0 CCADLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000905123428 615474263 /nfs/dbraw/zinc/47/42/63/615474263.db2.gz XWMOKEOAHMHQCV-UONOGXRCSA-N 2 2 286.416 0.353 20 0 CCADLP CCO[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)C[NH+](C)C ZINC000831730728 615483132 /nfs/dbraw/zinc/48/31/32/615483132.db2.gz HMWUSKDCVNQJDT-GXTWGEPZSA-N 2 2 294.399 0.528 20 0 CCADLP CCO[C@H](C[NH2+]C[C@@H](O)C1(O)CCCC1)C[NH+](C)C ZINC000905579757 615483842 /nfs/dbraw/zinc/48/38/42/615483842.db2.gz KYHUPUDSZMMFJO-CHWSQXEVSA-N 2 2 274.405 0.209 20 0 CCADLP CCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000932976474 615489781 /nfs/dbraw/zinc/48/97/81/615489781.db2.gz JIJWELVBBZYART-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CCO[C@H]1CC[N@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000932976474 615489783 /nfs/dbraw/zinc/48/97/83/615489783.db2.gz JIJWELVBBZYART-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@@H]([NH2+]C[C@@H](O)c1ccnn1C)[C@@H]1CCC[NH2+]1 ZINC000925889534 615535966 /nfs/dbraw/zinc/53/59/66/615535966.db2.gz KLZXBXRWUBZSAQ-NTZNESFSSA-N 2 2 252.362 0.574 20 0 CCADLP CC[C@@H](O)[C@@H](C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000912386753 615542833 /nfs/dbraw/zinc/54/28/33/615542833.db2.gz IOWZLMVTRAAJQT-CHWSQXEVSA-N 2 2 273.421 0.393 20 0 CCADLP CC[C@@H](O)[C@@H](C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000912386753 615542834 /nfs/dbraw/zinc/54/28/34/615542834.db2.gz IOWZLMVTRAAJQT-CHWSQXEVSA-N 2 2 273.421 0.393 20 0 CCADLP CC[C@H](C(=O)N1CC[C@@H]([NH2+]C)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911656696 615564939 /nfs/dbraw/zinc/56/49/39/615564939.db2.gz POBRUASPSDIXBG-MGPQQGTHSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@H](C(=O)N1CC[C@@H]([NH2+]C)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000911656696 615564940 /nfs/dbraw/zinc/56/49/40/615564940.db2.gz POBRUASPSDIXBG-MGPQQGTHSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@H](C(=O)NC[C@H]1CCC[NH2+]C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911703607 615565146 /nfs/dbraw/zinc/56/51/46/615565146.db2.gz GWYCIHCDHDQCBC-RRFJBIMHSA-N 2 2 297.443 0.992 20 0 CCADLP CC[C@H](C(=O)NC[C@H]1CCC[NH2+]C1)[N@H+]1CCO[C@H](CC)C1 ZINC000911703607 615565147 /nfs/dbraw/zinc/56/51/47/615565147.db2.gz GWYCIHCDHDQCBC-RRFJBIMHSA-N 2 2 297.443 0.992 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000877432415 615567947 /nfs/dbraw/zinc/56/79/47/615567947.db2.gz DGGZDEALHLSGQA-DGCLKSJQSA-N 2 2 269.389 0.354 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000877432415 615567948 /nfs/dbraw/zinc/56/79/48/615567948.db2.gz DGGZDEALHLSGQA-DGCLKSJQSA-N 2 2 269.389 0.354 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCc2c[nH+]cn2C)CC[N@@H+]1C ZINC000868413638 615585245 /nfs/dbraw/zinc/58/52/45/615585245.db2.gz WKYNCCFRWLPTAE-NWDGAFQWSA-N 2 2 250.346 0.767 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCc2c[nH+]cn2C)CC[N@H+]1C ZINC000868413638 615585246 /nfs/dbraw/zinc/58/52/46/615585246.db2.gz WKYNCCFRWLPTAE-NWDGAFQWSA-N 2 2 250.346 0.767 20 0 CCADLP CC[C@H](C)[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC000930654114 615672378 /nfs/dbraw/zinc/67/23/78/615672378.db2.gz KLYYQJYOCZOONC-AWEZNQCLSA-N 2 2 255.406 0.735 20 0 CCADLP CC[C@H](C)[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)C(N)=O ZINC000887056068 615698824 /nfs/dbraw/zinc/69/88/24/615698824.db2.gz YVNFURXDVOPERF-TUAOUCFPSA-N 2 2 259.394 0.177 20 0 CCADLP CC[C@H](C)[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)C(N)=O ZINC000887056068 615698822 /nfs/dbraw/zinc/69/88/22/615698822.db2.gz YVNFURXDVOPERF-TUAOUCFPSA-N 2 2 259.394 0.177 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000928645238 615714888 /nfs/dbraw/zinc/71/48/88/615714888.db2.gz DFEUWOWZOUXZSN-UONOGXRCSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000928645238 615714889 /nfs/dbraw/zinc/71/48/89/615714889.db2.gz DFEUWOWZOUXZSN-UONOGXRCSA-N 2 2 283.416 0.555 20 0 CCADLP CCc1nnc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)s1 ZINC000892928408 615812051 /nfs/dbraw/zinc/81/20/51/615812051.db2.gz ZKLJQAQEQNLVHX-UHFFFAOYSA-N 2 2 297.428 0.354 20 0 CCADLP CC[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C(=O)N1CCOCC1 ZINC000925540564 615823648 /nfs/dbraw/zinc/82/36/48/615823648.db2.gz HMPJQQQONXDMFY-PMKSJIGOSA-N 2 2 293.411 0.210 20 0 CCADLP CN(C(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCC[N@H+](CCCO)CC1 ZINC000948885819 615829658 /nfs/dbraw/zinc/82/96/58/615829658.db2.gz FHOZGTKIOGDFET-CYBMUJFWSA-N 2 2 294.399 0.648 20 0 CCADLP CN(C(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCC[N@@H+](CCCO)CC1 ZINC000948885819 615829659 /nfs/dbraw/zinc/82/96/59/615829659.db2.gz FHOZGTKIOGDFET-CYBMUJFWSA-N 2 2 294.399 0.648 20 0 CCADLP CC[C@H](O)[C@@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900674730 615836002 /nfs/dbraw/zinc/83/60/02/615836002.db2.gz NIIWPKBRDDVKIB-IPYPFGDCSA-N 2 2 297.443 0.678 20 0 CCADLP CC[C@H](O)[C@@H](C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900674730 615836004 /nfs/dbraw/zinc/83/60/04/615836004.db2.gz NIIWPKBRDDVKIB-IPYPFGDCSA-N 2 2 297.443 0.678 20 0 CCADLP C[NH+](C)CC(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000869815732 615862918 /nfs/dbraw/zinc/86/29/18/615862918.db2.gz PAGMDFCAPUWFGX-UHFFFAOYSA-N 2 2 273.380 0.892 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H]2C[C@H]3CCC[C@H]3O2)CC1 ZINC000877958576 615863831 /nfs/dbraw/zinc/86/38/31/615863831.db2.gz MJHICZMGQKZDGN-QLFBSQMISA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC1([NH+](C)C)CC1 ZINC000922985877 615879269 /nfs/dbraw/zinc/87/92/69/615879269.db2.gz MSJKZFSDPNDPPQ-UHFFFAOYSA-N 3 2 299.463 0.263 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC1([NH+](C)C)CC1 ZINC000922985877 615879271 /nfs/dbraw/zinc/87/92/71/615879271.db2.gz MSJKZFSDPNDPPQ-UHFFFAOYSA-N 3 2 299.463 0.263 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876961481 615879439 /nfs/dbraw/zinc/87/94/39/615879439.db2.gz VGMQEXCILHZIOR-ZBFHGGJFSA-N 3 2 296.459 0.518 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876961481 615879440 /nfs/dbraw/zinc/87/94/40/615879440.db2.gz VGMQEXCILHZIOR-ZBFHGGJFSA-N 3 2 296.459 0.518 20 0 CCADLP C[NH+](C)CCCNC(=S)N1CCn2c[nH+]cc2C1 ZINC000811712279 615882485 /nfs/dbraw/zinc/88/24/85/615882485.db2.gz NUTUDNDISLVWNI-UHFFFAOYSA-N 2 2 267.402 0.525 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](CCc2cccs2)CC1=O ZINC000844375405 615899630 /nfs/dbraw/zinc/89/96/30/615899630.db2.gz GDARSGXZEBDMHH-UHFFFAOYSA-N 2 2 281.425 0.996 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](CCc2cccs2)CC1=O ZINC000844375405 615899633 /nfs/dbraw/zinc/89/96/33/615899633.db2.gz GDARSGXZEBDMHH-UHFFFAOYSA-N 2 2 281.425 0.996 20 0 CCADLP C[NH+](C)CCONC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897877769 615908932 /nfs/dbraw/zinc/90/89/32/615908932.db2.gz UBYJSQWHYJCJKL-GFCCVEGCSA-N 2 2 281.360 0.399 20 0 CCADLP C[NH+](C)CCONC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000897877769 615908935 /nfs/dbraw/zinc/90/89/35/615908935.db2.gz UBYJSQWHYJCJKL-GFCCVEGCSA-N 2 2 281.360 0.399 20 0 CCADLP C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000897439852 615912537 /nfs/dbraw/zinc/91/25/37/615912537.db2.gz IDVFAEPGVVLPLK-JTNHKYCSSA-N 2 2 280.372 0.332 20 0 CCADLP C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000897439852 615912540 /nfs/dbraw/zinc/91/25/40/615912540.db2.gz IDVFAEPGVVLPLK-JTNHKYCSSA-N 2 2 280.372 0.332 20 0 CCADLP C[NH+](C)CCn1cc(C(=O)N[C@H]2CCn3c[nH+]cc32)cn1 ZINC000912584893 615915625 /nfs/dbraw/zinc/91/56/25/615915625.db2.gz TWGGSRHEDHBWBD-LBPRGKRZSA-N 2 2 288.355 0.516 20 0 CCADLP CC[C@H](C(=O)NC(C)(C)C[NH3+])[N@@H+]1CCO[C@@H](CC)C1 ZINC000911761449 615918205 /nfs/dbraw/zinc/91/82/05/615918205.db2.gz AIUPWDIRDDHPIA-NWDGAFQWSA-N 2 2 271.405 0.729 20 0 CCADLP CC[C@H](C(=O)NC(C)(C)C[NH3+])[N@H+]1CCO[C@@H](CC)C1 ZINC000911761449 615918208 /nfs/dbraw/zinc/91/82/08/615918208.db2.gz AIUPWDIRDDHPIA-NWDGAFQWSA-N 2 2 271.405 0.729 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cccc2[nH]c(=O)oc21 ZINC000921930784 615936065 /nfs/dbraw/zinc/93/60/65/615936065.db2.gz QOJIYRNXVDSXDD-AWEZNQCLSA-N 2 2 279.340 0.936 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@H](O)c2ccccn2)C1 ZINC000878865872 615937521 /nfs/dbraw/zinc/93/75/21/615937521.db2.gz OPZMEUZBOAZPIM-GJZGRUSLSA-N 2 2 279.384 0.504 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@H](O)c2ccccn2)C1 ZINC000878865872 615937523 /nfs/dbraw/zinc/93/75/23/615937523.db2.gz OPZMEUZBOAZPIM-GJZGRUSLSA-N 2 2 279.384 0.504 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CN(C3CC3)C(=O)O2)C1 ZINC000844295429 615946420 /nfs/dbraw/zinc/94/64/20/615946420.db2.gz BEJLHMCXDCWCIO-DGCLKSJQSA-N 2 2 267.373 0.853 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CN(C3CC3)C(=O)O2)C1 ZINC000844295429 615946422 /nfs/dbraw/zinc/94/64/22/615946422.db2.gz BEJLHMCXDCWCIO-DGCLKSJQSA-N 2 2 267.373 0.853 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCC(=O)N2CCCC2)C1 ZINC000878865990 615952138 /nfs/dbraw/zinc/95/21/38/615952138.db2.gz OZJKRTVOFSJRSN-OAHLLOKOSA-N 2 2 283.416 0.387 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCC(=O)N2CCCC2)C1 ZINC000878865990 615952141 /nfs/dbraw/zinc/95/21/41/615952141.db2.gz OZJKRTVOFSJRSN-OAHLLOKOSA-N 2 2 283.416 0.387 20 0 CCADLP C[NH+](C)Cc1cnc(CN2CC[N@H+](C)C[C@@H]2CO)s1 ZINC000877644174 615957753 /nfs/dbraw/zinc/95/77/53/615957753.db2.gz NBUORHPTORCKBS-LLVKDONJSA-N 2 2 284.429 0.313 20 0 CCADLP C[NH+](C)Cc1cnc(CN2CC[N@@H+](C)C[C@@H]2CO)s1 ZINC000877644174 615957757 /nfs/dbraw/zinc/95/77/57/615957757.db2.gz NBUORHPTORCKBS-LLVKDONJSA-N 2 2 284.429 0.313 20 0 CCADLP CCn1cc(C[NH+]2CCC(OCC[NH+](C)C)CC2)nn1 ZINC000929627595 615985228 /nfs/dbraw/zinc/98/52/28/615985228.db2.gz ZNGINFUMOIUDCE-UHFFFAOYSA-N 2 2 281.404 0.841 20 0 CCADLP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886253717 616030672 /nfs/dbraw/zinc/03/06/72/616030672.db2.gz GVTZNEWQKMSLOA-LMKPVCQUSA-N 2 2 251.330 0.121 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1)C1CCC1 ZINC000913453395 616044187 /nfs/dbraw/zinc/04/41/87/616044187.db2.gz MEMPTMLVHACZII-CYBMUJFWSA-N 2 2 277.372 0.367 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1)C1CCC1 ZINC000913453395 616044188 /nfs/dbraw/zinc/04/41/88/616044188.db2.gz MEMPTMLVHACZII-CYBMUJFWSA-N 2 2 277.372 0.367 20 0 CCADLP C[N@H+](CC(=O)NCCC1=CCCCC1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923555324 616047077 /nfs/dbraw/zinc/04/70/77/616047077.db2.gz VMEKKXBMFRRKER-KKUMJFAQSA-N 2 2 295.427 0.776 20 0 CCADLP C[N@@H+](CC(=O)NCCC1=CCCCC1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923555324 616047078 /nfs/dbraw/zinc/04/70/78/616047078.db2.gz VMEKKXBMFRRKER-KKUMJFAQSA-N 2 2 295.427 0.776 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+](CC[C@@H]2CCOC2=O)CC1 ZINC000120619229 616075801 /nfs/dbraw/zinc/07/58/01/616075801.db2.gz BZKMPJXTZYWMMX-CYBMUJFWSA-N 2 2 284.400 0.718 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+](CC[C@@H]2CCOC2=O)CC1 ZINC000120619229 616075802 /nfs/dbraw/zinc/07/58/02/616075802.db2.gz BZKMPJXTZYWMMX-CYBMUJFWSA-N 2 2 284.400 0.718 20 0 CCADLP C[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C1CCCC1 ZINC000900589001 616091749 /nfs/dbraw/zinc/09/17/49/616091749.db2.gz UQMLQJQQDDLBOJ-UHFFFAOYSA-N 2 2 250.346 0.943 20 0 CCADLP C[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C1CCCC1 ZINC000900589001 616091751 /nfs/dbraw/zinc/09/17/51/616091751.db2.gz UQMLQJQQDDLBOJ-UHFFFAOYSA-N 2 2 250.346 0.943 20 0 CCADLP C[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C[C@H]1CCCO1 ZINC000903879493 616098312 /nfs/dbraw/zinc/09/83/12/616098312.db2.gz CAGXEGRZAUQQAJ-GXTWGEPZSA-N 2 2 279.388 0.813 20 0 CCADLP C[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C[C@H]1CCCO1 ZINC000903879493 616098313 /nfs/dbraw/zinc/09/83/13/616098313.db2.gz CAGXEGRZAUQQAJ-GXTWGEPZSA-N 2 2 279.388 0.813 20 0 CCADLP C[N@H+](CCO)CCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000884824633 616108433 /nfs/dbraw/zinc/10/84/33/616108433.db2.gz FQHOXKQPWIWPPC-UHFFFAOYSA-N 2 2 279.388 0.803 20 0 CCADLP C[N@@H+](CCO)CCNc1cc(N2CCCCC2)[nH+]cn1 ZINC000884824633 616108434 /nfs/dbraw/zinc/10/84/34/616108434.db2.gz FQHOXKQPWIWPPC-UHFFFAOYSA-N 2 2 279.388 0.803 20 0 CCADLP C[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)CC(C)(C)[NH3+] ZINC000903768189 616151568 /nfs/dbraw/zinc/15/15/68/616151568.db2.gz LQAMALWGEOADNU-GFCCVEGCSA-N 3 2 255.406 0.814 20 0 CCADLP C[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)CC(C)(C)[NH3+] ZINC000903768189 616151569 /nfs/dbraw/zinc/15/15/69/616151569.db2.gz LQAMALWGEOADNU-GFCCVEGCSA-N 3 2 255.406 0.814 20 0 CCADLP C[NH+]1CCC([NH2+]C[C@H]2CCN2C2CCOCC2)CC1 ZINC000922951358 616174283 /nfs/dbraw/zinc/17/42/83/616174283.db2.gz NKEXXFOQUHQJPJ-OAHLLOKOSA-N 2 2 267.417 0.924 20 0 CCADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCOC(F)F)CC2)C1 ZINC000851843325 616189182 /nfs/dbraw/zinc/18/91/82/616189182.db2.gz GSTCELSKLHTUBZ-GFCCVEGCSA-N 2 2 277.359 0.937 20 0 CCADLP C[N@H+]1CCC[C@@H](N2CC[NH+](CCOC(F)F)CC2)C1 ZINC000851843325 616189183 /nfs/dbraw/zinc/18/91/83/616189183.db2.gz GSTCELSKLHTUBZ-GFCCVEGCSA-N 2 2 277.359 0.937 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ncccn2)C1 ZINC000967924076 616209912 /nfs/dbraw/zinc/20/99/12/616209912.db2.gz FOPDGWLDOUGKEU-OLZOCXBDSA-N 2 2 289.383 0.261 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ncccn2)C1 ZINC000967924076 616209913 /nfs/dbraw/zinc/20/99/13/616209913.db2.gz FOPDGWLDOUGKEU-OLZOCXBDSA-N 2 2 289.383 0.261 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000928072699 616211980 /nfs/dbraw/zinc/21/19/80/616211980.db2.gz GWOMNCYJNJRVKE-AGIUHOORSA-N 2 2 283.441 0.777 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000928072699 616211981 /nfs/dbraw/zinc/21/19/81/616211981.db2.gz GWOMNCYJNJRVKE-AGIUHOORSA-N 2 2 283.441 0.777 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928072699 616211982 /nfs/dbraw/zinc/21/19/82/616211982.db2.gz GWOMNCYJNJRVKE-AGIUHOORSA-N 2 2 283.441 0.777 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928072699 616211983 /nfs/dbraw/zinc/21/19/83/616211983.db2.gz GWOMNCYJNJRVKE-AGIUHOORSA-N 2 2 283.441 0.777 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000897004263 616212559 /nfs/dbraw/zinc/21/25/59/616212559.db2.gz FLMFKZNMMPOBEF-ZNMIVQPWSA-N 2 2 295.427 0.840 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000897004263 616212560 /nfs/dbraw/zinc/21/25/60/616212560.db2.gz FLMFKZNMMPOBEF-ZNMIVQPWSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC=C(Cl)C2)CC1 ZINC000878791872 616221723 /nfs/dbraw/zinc/22/17/23/616221723.db2.gz UEFFRWFNTTWDCE-UHFFFAOYSA-N 2 2 271.792 0.979 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC=C(Cl)C2)CC1 ZINC000878791872 616221724 /nfs/dbraw/zinc/22/17/24/616221724.db2.gz UEFFRWFNTTWDCE-UHFFFAOYSA-N 2 2 271.792 0.979 20 0 CCADLP C[N@@H+]1CCN(C(=O)CC[NH+]2CCOCC2)CC1(C)C ZINC000848034357 616221761 /nfs/dbraw/zinc/22/17/61/616221761.db2.gz ZFFNNHBTUXDCSB-UHFFFAOYSA-N 2 2 269.389 0.261 20 0 CCADLP C[N@H+]1CCN(C(=O)CC[NH+]2CCOCC2)CC1(C)C ZINC000848034357 616221762 /nfs/dbraw/zinc/22/17/62/616221762.db2.gz ZFFNNHBTUXDCSB-UHFFFAOYSA-N 2 2 269.389 0.261 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)CC1 ZINC000924840872 616223646 /nfs/dbraw/zinc/22/36/46/616223646.db2.gz XRBWJOCGTYWGJG-GOEBONIOSA-N 2 2 295.427 0.555 20 0 CCADLP C[N@@H+]1CC[C@H]1CNC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000913997051 616232610 /nfs/dbraw/zinc/23/26/10/616232610.db2.gz FYDQSMLXXVZGPM-ZDUSSCGKSA-N 2 2 297.447 0.016 20 0 CCADLP C[N@H+]1CC[C@H]1CNC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000913997051 616232611 /nfs/dbraw/zinc/23/26/11/616232611.db2.gz FYDQSMLXXVZGPM-ZDUSSCGKSA-N 2 2 297.447 0.016 20 0 CCADLP CN1CC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000913997051 616232613 /nfs/dbraw/zinc/23/26/13/616232613.db2.gz FYDQSMLXXVZGPM-ZDUSSCGKSA-N 2 2 297.447 0.016 20 0 CCADLP C[NH+]1CCN(C2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)CC1 ZINC000873221940 616239379 /nfs/dbraw/zinc/23/93/79/616239379.db2.gz URLXQTWIRNXVMS-INIZCTEOSA-N 3 2 280.460 0.698 20 0 CCADLP COC(=O)/C=C(/C)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000931549028 616307041 /nfs/dbraw/zinc/30/70/41/616307041.db2.gz MUARCDARTUHSBI-OWBHPGMISA-N 2 2 295.427 0.818 20 0 CCADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000900753987 616345346 /nfs/dbraw/zinc/34/53/46/616345346.db2.gz HAZWVQAZVGDEJN-SWLSCSKDSA-N 2 2 292.383 0.455 20 0 CCADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000900753987 616345350 /nfs/dbraw/zinc/34/53/50/616345350.db2.gz HAZWVQAZVGDEJN-SWLSCSKDSA-N 2 2 292.383 0.455 20 0 CCADLP COCC[NH+]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000949623425 616357491 /nfs/dbraw/zinc/35/74/91/616357491.db2.gz CKCVXKQPGADMTI-UHFFFAOYSA-N 2 2 283.416 0.651 20 0 CCADLP COC/C(C)=C/C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000930904719 616372592 /nfs/dbraw/zinc/37/25/92/616372592.db2.gz VDMYTAJDTYPOQR-BLXFFLACSA-N 2 2 256.390 0.968 20 0 CCADLP COC/C(C)=C/C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000930904719 616372593 /nfs/dbraw/zinc/37/25/93/616372593.db2.gz VDMYTAJDTYPOQR-BLXFFLACSA-N 2 2 256.390 0.968 20 0 CCADLP C[N@@H+]1C[C@@H]2CN(C(=O)NCCCn3cc[nH+]c3)C[C@]2(C)C1 ZINC000891426019 616379957 /nfs/dbraw/zinc/37/99/57/616379957.db2.gz HSSYTPVHEOBJIW-HIFRSBDPSA-N 2 2 291.399 0.866 20 0 CCADLP C[N@H+]1C[C@@H]2CN(C(=O)NCCCn3cc[nH+]c3)C[C@]2(C)C1 ZINC000891426019 616379961 /nfs/dbraw/zinc/37/99/61/616379961.db2.gz HSSYTPVHEOBJIW-HIFRSBDPSA-N 2 2 291.399 0.866 20 0 CCADLP C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC000887922962 616380601 /nfs/dbraw/zinc/38/06/01/616380601.db2.gz IAALZUNHFWKVTG-BLTAXRJOSA-N 2 2 274.368 0.923 20 0 CCADLP C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC000887922962 616380606 /nfs/dbraw/zinc/38/06/06/616380606.db2.gz IAALZUNHFWKVTG-BLTAXRJOSA-N 2 2 274.368 0.923 20 0 CCADLP C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC000887922962 616380613 /nfs/dbraw/zinc/38/06/13/616380613.db2.gz IAALZUNHFWKVTG-BLTAXRJOSA-N 2 2 274.368 0.923 20 0 CCADLP C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC000887922962 616380617 /nfs/dbraw/zinc/38/06/17/616380617.db2.gz IAALZUNHFWKVTG-BLTAXRJOSA-N 2 2 274.368 0.923 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](C)C1 ZINC000944444871 616391610 /nfs/dbraw/zinc/39/16/10/616391610.db2.gz LZZXMQRPSLOGDC-WCQYABFASA-N 2 2 294.399 0.734 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](C)C1 ZINC000944444871 616391612 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C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000928564576 616429884 /nfs/dbraw/zinc/42/98/84/616429884.db2.gz VHXGRIPGJHUJMV-LSDHHAIUSA-N 2 2 288.395 0.866 20 0 CCADLP C[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000928564576 616429888 /nfs/dbraw/zinc/42/98/88/616429888.db2.gz VHXGRIPGJHUJMV-LSDHHAIUSA-N 2 2 288.395 0.866 20 0 CCADLP C[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000928564576 616429893 /nfs/dbraw/zinc/42/98/93/616429893.db2.gz VHXGRIPGJHUJMV-LSDHHAIUSA-N 2 2 288.395 0.866 20 0 CCADLP C[N@@H+]1CC[C@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000928553105 616430059 /nfs/dbraw/zinc/43/00/59/616430059.db2.gz DSMDEUOZGJHPDC-NSHDSACASA-N 2 2 278.356 0.704 20 0 CCADLP C[N@H+]1CC[C@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000928553105 616430062 /nfs/dbraw/zinc/43/00/62/616430062.db2.gz DSMDEUOZGJHPDC-NSHDSACASA-N 2 2 278.356 0.704 20 0 CCADLP COC1(OC)CC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000926719954 616482575 /nfs/dbraw/zinc/48/25/75/616482575.db2.gz ZNTGRTIARGMGFK-KGLIPLIRSA-N 2 2 284.400 0.981 20 0 CCADLP COCC[NH2+]CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000884242403 616508149 /nfs/dbraw/zinc/50/81/49/616508149.db2.gz VVOYZNHSZZENFI-UHFFFAOYSA-N 2 2 268.361 0.279 20 0 CCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)COCC[NH3+] ZINC000870979386 616516094 /nfs/dbraw/zinc/51/60/94/616516094.db2.gz JWLPVEXUBFHAAI-ZDUSSCGKSA-N 2 2 263.341 0.265 20 0 CCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)COCC[NH3+] ZINC000870979386 616516095 /nfs/dbraw/zinc/51/60/95/616516095.db2.gz JWLPVEXUBFHAAI-ZDUSSCGKSA-N 2 2 263.341 0.265 20 0 CCADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CC[NH2+]CC1 ZINC000892615187 616518496 /nfs/dbraw/zinc/51/84/96/616518496.db2.gz OSWCXSLMURJKAK-CQSZACIVSA-N 2 2 274.368 0.788 20 0 CCADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CC[NH2+]CC1 ZINC000892615187 616518498 /nfs/dbraw/zinc/51/84/98/616518498.db2.gz OSWCXSLMURJKAK-CQSZACIVSA-N 2 2 274.368 0.788 20 0 CCADLP COC(=O)CCC[NH+]1CCC(N[C@H]2CC[N@H+](C)C2)CC1 ZINC000812753352 616530386 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COCC[C@@H]([NH3+])C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000884470642 616635761 /nfs/dbraw/zinc/63/57/61/616635761.db2.gz VSJWIJHALOIVBM-KGLIPLIRSA-N 2 2 277.368 0.653 20 0 CCADLP COC[C@H](C[N@H+](C)CC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000931487882 616650053 /nfs/dbraw/zinc/65/00/53/616650053.db2.gz KBOMKZOCZBCPGA-AWEZNQCLSA-N 2 2 285.432 0.611 20 0 CCADLP COC[C@H](C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000931487882 616650057 /nfs/dbraw/zinc/65/00/57/616650057.db2.gz KBOMKZOCZBCPGA-AWEZNQCLSA-N 2 2 285.432 0.611 20 0 CCADLP COC(=O)C[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@H]1C ZINC000932102755 616666279 /nfs/dbraw/zinc/66/62/79/616666279.db2.gz IRLFZQPEZMHLKA-YRGRVCCFSA-N 2 2 284.400 0.573 20 0 CCADLP COC(=O)C[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@H]1C ZINC000932102755 616666280 /nfs/dbraw/zinc/66/62/80/616666280.db2.gz IRLFZQPEZMHLKA-YRGRVCCFSA-N 2 2 284.400 0.573 20 0 CCADLP COC(=O)C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)C[C@H]1C ZINC000932102755 616666281 /nfs/dbraw/zinc/66/62/81/616666281.db2.gz IRLFZQPEZMHLKA-YRGRVCCFSA-N 2 2 284.400 0.573 20 0 CCADLP COC(=O)C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C[C@H]1C ZINC000932102755 616666285 /nfs/dbraw/zinc/66/62/85/616666285.db2.gz IRLFZQPEZMHLKA-YRGRVCCFSA-N 2 2 284.400 0.573 20 0 CCADLP COCC(COC)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000930673541 616725084 /nfs/dbraw/zinc/72/50/84/616725084.db2.gz IQINRGIQDFBFDX-UHFFFAOYSA-N 2 2 286.416 0.474 20 0 CCADLP COC(=O)[C@](C)(Cn1cccn1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000903864175 616750713 /nfs/dbraw/zinc/75/07/13/616750713.db2.gz STUWDYKZNXOEQM-HIFRSBDPSA-N 2 2 294.399 0.794 20 0 CCADLP CNC(=O)NC[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000879335874 616760466 /nfs/dbraw/zinc/76/04/66/616760466.db2.gz XNEJIRSHLKNBOP-ZIAGYGMSSA-N 2 2 298.431 0.227 20 0 CCADLP CNC(=O)NC[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000879335874 616760470 /nfs/dbraw/zinc/76/04/70/616760470.db2.gz XNEJIRSHLKNBOP-ZIAGYGMSSA-N 2 2 298.431 0.227 20 0 CCADLP CO[C@@H]1C[N@@H+](Cc2[nH]c(C)[nH+]c2C)[C@@](C)(CO)C1 ZINC000931469905 616776281 /nfs/dbraw/zinc/77/62/81/616776281.db2.gz HIBVSKRXMCTYRB-WCQYABFASA-N 2 2 253.346 0.998 20 0 CCADLP COC(=O)N1CC([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000848536417 616806398 /nfs/dbraw/zinc/80/63/98/616806398.db2.gz RTLIDPBTYDDZOB-ZDUSSCGKSA-N 2 2 283.372 0.280 20 0 CCADLP CO[C@@H]1COCC[C@H]1[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000883461132 616812693 /nfs/dbraw/zinc/81/26/93/616812693.db2.gz OKXKHAQEPYGTKZ-NXEZZACHSA-N 2 2 284.360 0.499 20 0 CCADLP CO[C@@H]1COCC[C@H]1[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000883461132 616812695 /nfs/dbraw/zinc/81/26/95/616812695.db2.gz OKXKHAQEPYGTKZ-NXEZZACHSA-N 2 2 284.360 0.499 20 0 CCADLP CO[C@H]1C[C@@H](C[NH+]2CCN(C(=O)C[NH+](C)C)CC2)C1 ZINC000877959017 616861089 /nfs/dbraw/zinc/86/10/89/616861089.db2.gz RQRXGRZXHQEQPJ-BETUJISGSA-N 2 2 269.389 0.117 20 0 CCADLP CNC(=O)[C@]1(COC)CCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000923394173 616895628 /nfs/dbraw/zinc/89/56/28/616895628.db2.gz GAEITMKTPXCUMG-CQSZACIVSA-N 2 2 269.389 0.356 20 0 CCADLP CNC(=O)[C@]1(COC)CCC[N@H+]1CCC[NH2+]C1CC1 ZINC000923394173 616895631 /nfs/dbraw/zinc/89/56/31/616895631.db2.gz GAEITMKTPXCUMG-CQSZACIVSA-N 2 2 269.389 0.356 20 0 CCADLP CNC(=O)c1cccc(C[N@H+](C)C2(C[NH3+])CCOCC2)c1 ZINC000903808251 616917135 /nfs/dbraw/zinc/91/71/35/616917135.db2.gz DYVSZEGSAFYKHG-UHFFFAOYSA-N 2 2 291.395 0.986 20 0 CCADLP CNC(=O)c1cccc(C[N@@H+](C)C2(C[NH3+])CCOCC2)c1 ZINC000903808251 616917136 /nfs/dbraw/zinc/91/71/36/616917136.db2.gz DYVSZEGSAFYKHG-UHFFFAOYSA-N 2 2 291.395 0.986 20 0 CCADLP COCC[N@H+](C)CCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925545101 616954513 /nfs/dbraw/zinc/95/45/13/616954513.db2.gz XEZQRUMQEZAEAK-CHWSQXEVSA-N 3 2 255.406 0.814 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925545101 616954517 /nfs/dbraw/zinc/95/45/17/616954517.db2.gz XEZQRUMQEZAEAK-CHWSQXEVSA-N 3 2 255.406 0.814 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2ccccn2)C1 ZINC000846889060 616966419 /nfs/dbraw/zinc/96/64/19/616966419.db2.gz MJJNLYBGLIMLGX-LSDHHAIUSA-N 2 2 293.411 0.810 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2ccccn2)C1 ZINC000846889060 616966423 /nfs/dbraw/zinc/96/64/23/616966423.db2.gz MJJNLYBGLIMLGX-LSDHHAIUSA-N 2 2 293.411 0.810 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000846889060 616966425 /nfs/dbraw/zinc/96/64/25/616966425.db2.gz MJJNLYBGLIMLGX-LSDHHAIUSA-N 2 2 293.411 0.810 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000846889060 616966431 /nfs/dbraw/zinc/96/64/31/616966431.db2.gz MJJNLYBGLIMLGX-LSDHHAIUSA-N 2 2 293.411 0.810 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@](OC)(C(F)(F)F)C1 ZINC000883447549 617002086 /nfs/dbraw/zinc/00/20/86/617002086.db2.gz FPJYRUVVWFBFKN-UWVGGRQHSA-N 2 2 270.295 0.610 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@](OC)(C(F)(F)F)C1 ZINC000883447549 617002081 /nfs/dbraw/zinc/00/20/81/617002081.db2.gz FPJYRUVVWFBFKN-UWVGGRQHSA-N 2 2 270.295 0.610 20 0 CCADLP CNS(=O)(=O)CCC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931312048 617009411 /nfs/dbraw/zinc/00/94/11/617009411.db2.gz UBUFWVNYVZMWLV-STQMWFEESA-N 2 2 289.445 0.199 20 0 CCADLP CON(C)C(=O)CC[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000819038223 617018489 /nfs/dbraw/zinc/01/84/89/617018489.db2.gz ALIHSMIQVHMXON-LBPRGKRZSA-N 2 2 255.362 0.470 20 0 CCADLP CON(C)C(=O)CC[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000819038223 617018495 /nfs/dbraw/zinc/01/84/95/617018495.db2.gz ALIHSMIQVHMXON-LBPRGKRZSA-N 2 2 255.362 0.470 20 0 CCADLP COC(=O)[C@@H]([NH2+]CCCc1c[nH+]cn1C)C1CCOCC1 ZINC000880342445 617020622 /nfs/dbraw/zinc/02/06/22/617020622.db2.gz YRNSOWQKDFYJKR-AWEZNQCLSA-N 2 2 295.383 0.911 20 0 CCADLP CON1CC[C@@H]([N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C1=O ZINC000903452176 617094257 /nfs/dbraw/zinc/09/42/57/617094257.db2.gz IBTKUVOZCFTKCU-YPMHNXCESA-N 2 2 253.346 0.224 20 0 CCADLP CON1CC[C@@H]([N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C1=O ZINC000903452176 617094258 /nfs/dbraw/zinc/09/42/58/617094258.db2.gz IBTKUVOZCFTKCU-YPMHNXCESA-N 2 2 253.346 0.224 20 0 CCADLP CONC(=O)C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000879924864 617108374 /nfs/dbraw/zinc/10/83/74/617108374.db2.gz WCFONUVKQFLGGV-UHFFFAOYSA-N 2 2 266.345 0.663 20 0 CCADLP COc1c(C)c[nH+]c(CNC(=O)[C@H]2CCO[C@H]2C[NH3+])c1C ZINC000852864193 617145810 /nfs/dbraw/zinc/14/58/10/617145810.db2.gz ZGVXSXPYPUKWJC-AAEUAGOBSA-N 2 2 293.367 0.687 20 0 CCADLP CO[C@@H](C)C[NH+]1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000948738558 617153328 /nfs/dbraw/zinc/15/33/28/617153328.db2.gz GIWAFBZPJVXOPF-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1[C@H]2C[N@H+](C/C=C/Cl)C[C@H]21 ZINC001026146301 625343016 /nfs/dbraw/zinc/34/30/16/625343016.db2.gz NTCAMPLEVCAVSG-YALVHNAYSA-N 2 2 294.786 0.990 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1[C@H]2C[N@@H+](C/C=C/Cl)C[C@H]21 ZINC001026146301 625343019 /nfs/dbraw/zinc/34/30/19/625343019.db2.gz NTCAMPLEVCAVSG-YALVHNAYSA-N 2 2 294.786 0.990 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CC[C@H]([NH2+]CCF)[C@H]2C1 ZINC001026388851 625424346 /nfs/dbraw/zinc/42/43/46/625424346.db2.gz SORPQYLARFGFBF-SRVKXCTJSA-N 2 2 280.347 0.748 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC1CCC([NH2+]CCF)CC1 ZINC001026613463 625481915 /nfs/dbraw/zinc/48/19/15/625481915.db2.gz MCTUGCGEQWVOIV-UHFFFAOYSA-N 2 2 268.336 0.870 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000892091738 622579101 /nfs/dbraw/zinc/57/91/01/622579101.db2.gz MLPIBKUQMSLJDW-GFCCVEGCSA-N 2 2 265.361 0.737 20 0 CCADLP CC(C)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001022976752 622874840 /nfs/dbraw/zinc/87/48/40/622874840.db2.gz GWVHCRFCYJYEAK-TXEJJXNPSA-N 2 2 264.373 0.855 20 0 CCADLP COCC[C@@H]([NH3+])C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000052791694 623481872 /nfs/dbraw/zinc/48/18/72/623481872.db2.gz IKAHNTFEJDUYFK-NEPJUHHUSA-N 2 2 282.388 0.778 20 0 CCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892550505 623519388 /nfs/dbraw/zinc/51/93/88/623519388.db2.gz LVMKNWQOEYPANM-FQUUOJAGSA-N 2 2 296.415 0.228 20 0 CCADLP C[C@@H]1CCC[N@@H+]1CCNC(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000892595848 623571342 /nfs/dbraw/zinc/57/13/42/623571342.db2.gz LISJQJJBWQSMMU-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H]1CCC[N@H+]1CCNC(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000892595848 623571349 /nfs/dbraw/zinc/57/13/49/623571349.db2.gz LISJQJJBWQSMMU-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H]1CCC[NH+]1CCNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000892595848 623571357 /nfs/dbraw/zinc/57/13/57/623571357.db2.gz LISJQJJBWQSMMU-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H]1CCC[NH+]1CCNC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000892595848 623571364 /nfs/dbraw/zinc/57/13/64/623571364.db2.gz LISJQJJBWQSMMU-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001026927293 625663186 /nfs/dbraw/zinc/66/31/86/625663186.db2.gz LOPOEBZCHQUSHV-QWHCGFSZSA-N 2 2 276.384 0.904 20 0 CCADLP Cn1ncc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c1C1CC1 ZINC000892669901 623650345 /nfs/dbraw/zinc/65/03/45/623650345.db2.gz MXVULMPDKZZFKD-AWEZNQCLSA-N 2 2 278.400 0.844 20 0 CCADLP CC(C)(CN1CCOCC1)[NH2+]CC[NH+]1CCCC1 ZINC000308637527 623892481 /nfs/dbraw/zinc/89/24/81/623892481.db2.gz UQIPFZFPCMWHRH-UHFFFAOYSA-N 2 2 255.406 0.783 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]Cc2ccccn2)C1 ZINC000970097396 624596972 /nfs/dbraw/zinc/59/69/72/624596972.db2.gz DNABKKNSAKATHI-CYBMUJFWSA-N 2 2 285.351 0.738 20 0 CCADLP Cn1ccc(C[NH2+][C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001021126144 624662071 /nfs/dbraw/zinc/66/20/71/624662071.db2.gz GRHZFYNBJHLVEQ-JOCQHMNTSA-N 2 2 288.355 0.054 20 0 CCADLP Cn1nccc1C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001021126404 624662087 /nfs/dbraw/zinc/66/20/87/624662087.db2.gz NQFYILSLNRAYJU-HAQNSBGRSA-N 2 2 288.355 0.054 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]Cc2ccns2)C1 ZINC001021126083 624662816 /nfs/dbraw/zinc/66/28/16/624662816.db2.gz FQYJAAUNBZAUBR-XYPYZODXSA-N 2 2 291.380 0.777 20 0 CCADLP Cn1cc(C[NH2+][C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC000970343172 624676776 /nfs/dbraw/zinc/67/67/76/624676776.db2.gz JEOGTKYGUXYJGK-GFCCVEGCSA-N 2 2 288.355 0.076 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+]CCC2CC2)C1 ZINC000970342279 624678836 /nfs/dbraw/zinc/67/88/36/624678836.db2.gz ZWKCLHWHVZUNRP-GFCCVEGCSA-N 2 2 262.357 0.943 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+]CC2CC2)C1 ZINC000970579229 624701631 /nfs/dbraw/zinc/70/16/31/624701631.db2.gz GGSYBZXATWKPQU-GFCCVEGCSA-N 2 2 262.357 0.861 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001021422070 624725807 /nfs/dbraw/zinc/72/58/07/624725807.db2.gz FHJDPEYXFMQSFL-YOGCLGLASA-N 2 2 278.356 0.056 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001021422070 624725809 /nfs/dbraw/zinc/72/58/09/624725809.db2.gz FHJDPEYXFMQSFL-YOGCLGLASA-N 2 2 278.356 0.056 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+]Cc2cncs2)C1 ZINC000970856550 624771215 /nfs/dbraw/zinc/77/12/15/624771215.db2.gz MVYIQRXLJNZRCO-LLVKDONJSA-N 2 2 291.380 0.730 20 0 CCADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)Nc2cccc3nsnc32)C1 ZINC000050248435 624804139 /nfs/dbraw/zinc/80/41/39/624804139.db2.gz AMUWRCGRDBKLEI-SECBINFHSA-N 2 2 291.380 0.910 20 0 CCADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)Nc2cccc3nsnc32)C1 ZINC000050248435 624804140 /nfs/dbraw/zinc/80/41/40/624804140.db2.gz AMUWRCGRDBKLEI-SECBINFHSA-N 2 2 291.380 0.910 20 0 CCADLP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NCCCCn1cc[nH+]c1)C2 ZINC000891402531 624856984 /nfs/dbraw/zinc/85/69/84/624856984.db2.gz YPBRJZHEQSPSKI-DZGCQCFKSA-N 2 2 291.399 0.914 20 0 CCADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000891682532 624902991 /nfs/dbraw/zinc/90/29/91/624902991.db2.gz WXKIBBCQBCDCHS-JQWIXIFHSA-N 2 2 273.340 0.965 20 0 CCADLP O=C1O[C@@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)CN1C1CC1 ZINC000925714836 625720815 /nfs/dbraw/zinc/72/08/15/625720815.db2.gz XIZZPLYILAJEPY-RYUDHWBXSA-N 2 2 265.357 0.844 20 0 CCADLP CC[NH2+]C[C@H]1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC001027148319 625742366 /nfs/dbraw/zinc/74/23/66/625742366.db2.gz BWCRSYNJENQHES-CQSZACIVSA-N 2 2 295.427 0.699 20 0 CCADLP CCO[C@@H]1CCC[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1 ZINC000902776998 634459004 /nfs/dbraw/zinc/45/90/04/634459004.db2.gz QJOSFQFAJPSLGN-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCF)CC1(C)C ZINC000977592544 625952200 /nfs/dbraw/zinc/95/22/00/625952200.db2.gz DLYBGUVRPHOWJQ-GFCCVEGCSA-N 2 2 282.363 0.988 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCF)CC1(C)C ZINC000977592544 625952204 /nfs/dbraw/zinc/95/22/04/625952204.db2.gz DLYBGUVRPHOWJQ-GFCCVEGCSA-N 2 2 282.363 0.988 20 0 CCADLP C[C@@H]1CN(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)CCO1 ZINC000903472693 634574777 /nfs/dbraw/zinc/57/47/77/634574777.db2.gz UYLBTXPOIVXUPW-CHWSQXEVSA-N 2 2 253.390 0.581 20 0 CCADLP [NH3+]CC12CC(C1)C[N@@H+]2C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903766845 634643769 /nfs/dbraw/zinc/64/37/69/634643769.db2.gz SKJLMMPQHUOHSZ-QPPOZKHWSA-N 3 2 251.374 0.178 20 0 CCADLP [NH3+]CC12CC(C1)C[N@H+]2C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903766845 634643775 /nfs/dbraw/zinc/64/37/75/634643775.db2.gz SKJLMMPQHUOHSZ-QPPOZKHWSA-N 3 2 251.374 0.178 20 0 CCADLP O=S1(=O)C[C@@H]2CC[N@H+](C[C@@H]3CCCC[NH2+]C3)C[C@@H]2C1 ZINC000903781277 634651246 /nfs/dbraw/zinc/65/12/46/634651246.db2.gz PGSPXJKEGGLKEY-HZSPNIEDSA-N 2 2 286.441 0.743 20 0 CCADLP O=S1(=O)C[C@@H]2CC[N@@H+](C[C@@H]3CCCC[NH2+]C3)C[C@@H]2C1 ZINC000903781277 634651248 /nfs/dbraw/zinc/65/12/48/634651248.db2.gz PGSPXJKEGGLKEY-HZSPNIEDSA-N 2 2 286.441 0.743 20 0 CCADLP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000903859853 634669607 /nfs/dbraw/zinc/66/96/07/634669607.db2.gz PCTNWQZDSYOKET-SGMGOOAPSA-N 3 2 251.374 0.321 20 0 CCADLP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000903859853 634669614 /nfs/dbraw/zinc/66/96/14/634669614.db2.gz PCTNWQZDSYOKET-SGMGOOAPSA-N 3 2 251.374 0.321 20 0 CCADLP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CCOC1CCOCC1 ZINC000903859705 634670399 /nfs/dbraw/zinc/67/03/99/634670399.db2.gz ONUVVPHDCZVQAY-GXTWGEPZSA-N 2 2 254.374 0.995 20 0 CCADLP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CCOC1CCOCC1 ZINC000903859705 634670406 /nfs/dbraw/zinc/67/04/06/634670406.db2.gz ONUVVPHDCZVQAY-GXTWGEPZSA-N 2 2 254.374 0.995 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCO[C@@H](C)[C@H]2C)cnn1C ZINC000903891533 634670996 /nfs/dbraw/zinc/67/09/96/634670996.db2.gz BUXXRGZFMBMVON-KWCYVHTRSA-N 2 2 280.416 0.955 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCO[C@@H](C)[C@H]2C)cnn1C ZINC000903891533 634670999 /nfs/dbraw/zinc/67/09/99/634670999.db2.gz BUXXRGZFMBMVON-KWCYVHTRSA-N 2 2 280.416 0.955 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903874357 634674337 /nfs/dbraw/zinc/67/43/37/634674337.db2.gz YQGOGLKTMHVTFK-IHRRRGAJSA-N 3 2 292.431 0.762 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903874357 634674352 /nfs/dbraw/zinc/67/43/52/634674352.db2.gz YQGOGLKTMHVTFK-IHRRRGAJSA-N 3 2 292.431 0.762 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCOC[C@@H]2C2CC2)cnn1C ZINC000903895457 634679956 /nfs/dbraw/zinc/67/99/56/634679956.db2.gz OAXXEQCPVVGPMF-CZUORRHYSA-N 2 2 292.427 0.957 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCOC[C@@H]2C2CC2)cnn1C ZINC000903895457 634679960 /nfs/dbraw/zinc/67/99/60/634679960.db2.gz OAXXEQCPVVGPMF-CZUORRHYSA-N 2 2 292.427 0.957 20 0 CCADLP [NH3+][C@@H](CC(F)F)C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000903899978 634680259 /nfs/dbraw/zinc/68/02/59/634680259.db2.gz XMFPZXBGKUJLDS-MNOVXSKESA-N 2 2 273.331 0.973 20 0 CCADLP [NH3+][C@@H](CC(F)F)C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000903899978 634680264 /nfs/dbraw/zinc/68/02/64/634680264.db2.gz XMFPZXBGKUJLDS-MNOVXSKESA-N 2 2 273.331 0.973 20 0 CCADLP [NH3+]C1(C[NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)CCC1 ZINC000903918501 634685626 /nfs/dbraw/zinc/68/56/26/634685626.db2.gz APASZULPXRFHKG-NSHDSACASA-N 3 2 264.377 0.174 20 0 CCADLP C[C@H]1C(=O)N(C)CC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903909408 634683636 /nfs/dbraw/zinc/68/36/36/634683636.db2.gz UNSWWCZTNOTNCC-LBPRGKRZSA-N 2 2 273.380 0.995 20 0 CCADLP C[C@H]1C(=O)N(C)CC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903909408 634683642 /nfs/dbraw/zinc/68/36/42/634683642.db2.gz UNSWWCZTNOTNCC-LBPRGKRZSA-N 2 2 273.380 0.995 20 0 CCADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC[C@@](F)(CO)C2)cnn1C ZINC000903918086 634695792 /nfs/dbraw/zinc/69/57/92/634695792.db2.gz RQMLRBWGADKLLY-JSGCOSHPSA-N 2 2 284.379 0.252 20 0 CCADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CC[C@@](F)(CO)C2)cnn1C ZINC000903918086 634695798 /nfs/dbraw/zinc/69/57/98/634695798.db2.gz RQMLRBWGADKLLY-JSGCOSHPSA-N 2 2 284.379 0.252 20 0 CCADLP C[C@]1(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)CCC[NH2+]C1 ZINC000904350481 634733732 /nfs/dbraw/zinc/73/37/32/634733732.db2.gz MWLXNSCOASTIMG-GJZGRUSLSA-N 3 2 266.433 0.356 20 0 CCADLP C[C@]1(C[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)CCC[NH2+]C1 ZINC000904385523 634741692 /nfs/dbraw/zinc/74/16/92/634741692.db2.gz XWYDFFAGEMQMIB-MJBXVCDLSA-N 2 2 286.441 0.743 20 0 CCADLP C[C@]1(C[N@H+]2CC[C@H]3CS(=O)(=O)C[C@H]3C2)CCC[NH2+]C1 ZINC000904385523 634741697 /nfs/dbraw/zinc/74/16/97/634741697.db2.gz XWYDFFAGEMQMIB-MJBXVCDLSA-N 2 2 286.441 0.743 20 0 CCADLP C[C@@H](NC(=O)NCC[NH+]1CCC([NH3+])CC1)C1CC1 ZINC000905005209 634776847 /nfs/dbraw/zinc/77/68/47/634776847.db2.gz YDLGUUOYMJTSBI-SNVBAGLBSA-N 2 2 254.378 0.507 20 0 CCADLP C[C@@H](O)C[N@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027594734 630791027 /nfs/dbraw/zinc/79/10/27/630791027.db2.gz MRMWMNWGWJWZGV-YPMHNXCESA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H](O)C[N@@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027594734 630791030 /nfs/dbraw/zinc/79/10/30/630791030.db2.gz MRMWMNWGWJWZGV-YPMHNXCESA-N 2 2 280.372 0.256 20 0 CCADLP CC[N@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001027650265 630833395 /nfs/dbraw/zinc/83/33/95/630833395.db2.gz DPOBGUBYNMROEX-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP CC[N@@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001027650265 630833401 /nfs/dbraw/zinc/83/34/01/630833401.db2.gz DPOBGUBYNMROEX-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[C@H]2C[N@@H+](CCO)C[C@H]2C1 ZINC000980180307 630998380 /nfs/dbraw/zinc/99/83/80/630998380.db2.gz CNAATTFPHLBZOR-YNEHKIRRSA-N 2 2 292.383 0.161 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[C@H]2C[N@H+](CCO)C[C@H]2C1 ZINC000980180307 630998384 /nfs/dbraw/zinc/99/83/84/630998384.db2.gz CNAATTFPHLBZOR-YNEHKIRRSA-N 2 2 292.383 0.161 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[C@H]2C[N@@H+](CCO)C[C@H]2C1 ZINC000980227390 631005290 /nfs/dbraw/zinc/00/52/90/631005290.db2.gz KBWLDGUEMQEAMG-YNEHKIRRSA-N 2 2 292.383 0.161 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[C@H]2C[N@H+](CCO)C[C@H]2C1 ZINC000980227390 631005293 /nfs/dbraw/zinc/00/52/93/631005293.db2.gz KBWLDGUEMQEAMG-YNEHKIRRSA-N 2 2 292.383 0.161 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000982052007 631373388 /nfs/dbraw/zinc/37/33/88/631373388.db2.gz SYCOOGDUAFOWHH-UONOGXRCSA-N 2 2 294.399 0.749 20 0 CCADLP C[C@@H](O)C[N@H+]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000982052007 631373394 /nfs/dbraw/zinc/37/33/94/631373394.db2.gz SYCOOGDUAFOWHH-UONOGXRCSA-N 2 2 294.399 0.749 20 0 CCADLP Cc1nonc1[C@@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000924992507 631701490 /nfs/dbraw/zinc/70/14/90/631701490.db2.gz LQLLHKUEBDWOEW-GHMZBOCLSA-N 2 2 267.377 0.665 20 0 CCADLP CC(C)=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001006995227 650061006 /nfs/dbraw/zinc/06/10/06/650061006.db2.gz DKYHKXLIMLGILB-GJZGRUSLSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001006995227 650061009 /nfs/dbraw/zinc/06/10/09/650061009.db2.gz DKYHKXLIMLGILB-GJZGRUSLSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001006995227 650061012 /nfs/dbraw/zinc/06/10/12/650061012.db2.gz DKYHKXLIMLGILB-GJZGRUSLSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001006995227 650061014 /nfs/dbraw/zinc/06/10/14/650061014.db2.gz DKYHKXLIMLGILB-GJZGRUSLSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)=CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001006995229 650061192 /nfs/dbraw/zinc/06/11/92/650061192.db2.gz DKYHKXLIMLGILB-LSDHHAIUSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)=CC[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001006995229 650061193 /nfs/dbraw/zinc/06/11/93/650061193.db2.gz DKYHKXLIMLGILB-LSDHHAIUSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001006995229 650061198 /nfs/dbraw/zinc/06/11/98/650061198.db2.gz DKYHKXLIMLGILB-LSDHHAIUSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001006995229 650061201 /nfs/dbraw/zinc/06/12/01/650061201.db2.gz DKYHKXLIMLGILB-LSDHHAIUSA-N 2 2 295.427 0.864 20 0 CCADLP Cc1[nH]c(CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)[nH+]c1C ZINC000896906824 632356643 /nfs/dbraw/zinc/35/66/43/632356643.db2.gz DTKZPKSVCFBVNS-GFCCVEGCSA-N 2 2 278.356 0.363 20 0 CCADLP Cc1nc(NCC[N@@H+]2CCC(C)(C)C2)nc(N)[nH+]1 ZINC000897247562 632433188 /nfs/dbraw/zinc/43/31/88/632433188.db2.gz AKRJYYVPLYTDJJ-UHFFFAOYSA-N 2 2 250.350 0.906 20 0 CCADLP Cc1nc(NCC[N@H+]2CCC(C)(C)C2)nc(N)[nH+]1 ZINC000897247562 632433194 /nfs/dbraw/zinc/43/31/94/632433194.db2.gz AKRJYYVPLYTDJJ-UHFFFAOYSA-N 2 2 250.350 0.906 20 0 CCADLP CCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000987349680 632860004 /nfs/dbraw/zinc/86/00/04/632860004.db2.gz WRUASCARDJKOIR-YPMHNXCESA-N 2 2 264.373 0.952 20 0 CCADLP CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCc2[nH+]ccn2C)C1 ZINC000989232526 633172766 /nfs/dbraw/zinc/17/27/66/633172766.db2.gz XJOKVCGTWIFKQN-NWDGAFQWSA-N 2 2 264.373 0.952 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000989482393 633317990 /nfs/dbraw/zinc/31/79/90/633317990.db2.gz BCNARLLCNKUHBJ-ZDUSSCGKSA-N 2 2 294.399 0.532 20 0 CCADLP CO[C@@H](C)C[N@H+]1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000989482393 633317994 /nfs/dbraw/zinc/31/79/94/633317994.db2.gz BCNARLLCNKUHBJ-ZDUSSCGKSA-N 2 2 294.399 0.532 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)N1CCC[N@H+](CCO)CC1 ZINC000989497904 633320629 /nfs/dbraw/zinc/32/06/29/633320629.db2.gz MDJYETDGWPVIAY-UHFFFAOYSA-N 2 2 292.383 0.288 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)c2ncnn21 ZINC000924630084 633535657 /nfs/dbraw/zinc/53/56/57/633535657.db2.gz WPIKTJWALHDFLA-CHWSQXEVSA-N 2 2 292.431 0.900 20 0 CCADLP C[C@@H]1CO[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000898668696 633645330 /nfs/dbraw/zinc/64/53/30/633645330.db2.gz JRBZUGMRSULJNW-QWHCGFSZSA-N 2 2 271.405 0.411 20 0 CCADLP C[C@@H]1CO[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000898668696 633645345 /nfs/dbraw/zinc/64/53/45/633645345.db2.gz JRBZUGMRSULJNW-QWHCGFSZSA-N 2 2 271.405 0.411 20 0 CCADLP c1c([C@@H]2CCCC[NH2+]2)nnn1CC[NH+]1CCOCC1 ZINC000899745611 633888913 /nfs/dbraw/zinc/88/89/13/633888913.db2.gz RTHNRPVPRUKBHD-LBPRGKRZSA-N 2 2 265.361 0.425 20 0 CCADLP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H](O)C2(O)CCC2)C[C@H](C)O1 ZINC000899864358 633911469 /nfs/dbraw/zinc/91/14/69/633911469.db2.gz ICFHGOYEMKESMQ-MJBXVCDLSA-N 2 2 286.416 0.351 20 0 CCADLP C[C@@H]1C[N@H+](CCC[NH2+]C[C@H](O)C2(O)CCC2)C[C@H](C)O1 ZINC000899864358 633911470 /nfs/dbraw/zinc/91/14/70/633911470.db2.gz ICFHGOYEMKESMQ-MJBXVCDLSA-N 2 2 286.416 0.351 20 0 CCADLP O=C(CNc1cccc[nH+]1)NCCC[NH+]1CCC(O)CC1 ZINC000900753945 634078770 /nfs/dbraw/zinc/07/87/70/634078770.db2.gz GTLGFLNLHMQCMN-UHFFFAOYSA-N 2 2 292.383 0.457 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC[N@@H+]1CCO ZINC000907543721 635148174 /nfs/dbraw/zinc/14/81/74/635148174.db2.gz GRAHXQOMJPDBAR-QLFBSQMISA-N 2 2 295.427 0.528 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC[N@H+]1CCO ZINC000907543721 635148180 /nfs/dbraw/zinc/14/81/80/635148180.db2.gz GRAHXQOMJPDBAR-QLFBSQMISA-N 2 2 295.427 0.528 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC[NH+]1CCO ZINC000907543721 635148186 /nfs/dbraw/zinc/14/81/86/635148186.db2.gz GRAHXQOMJPDBAR-QLFBSQMISA-N 2 2 295.427 0.528 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC[NH+]1CCO ZINC000907543721 635148188 /nfs/dbraw/zinc/14/81/88/635148188.db2.gz GRAHXQOMJPDBAR-QLFBSQMISA-N 2 2 295.427 0.528 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC000911981424 636459067 /nfs/dbraw/zinc/45/90/67/636459067.db2.gz JTFGUPLENXVEIA-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CCCC[N@H+]1C ZINC000911981424 636459068 /nfs/dbraw/zinc/45/90/68/636459068.db2.gz JTFGUPLENXVEIA-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)[C@H]1CCCO1 ZINC000912387314 636561509 /nfs/dbraw/zinc/56/15/09/636561509.db2.gz OGYHGKNWBGLQMR-UONOGXRCSA-N 2 2 285.432 0.801 20 0 CCADLP C[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)[C@H]1CCCO1 ZINC000912387314 636561515 /nfs/dbraw/zinc/56/15/15/636561515.db2.gz OGYHGKNWBGLQMR-UONOGXRCSA-N 2 2 285.432 0.801 20 0 CCADLP C[C@H]1C[C@@H](C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)CC[N@@H+]1C ZINC000913452049 636809533 /nfs/dbraw/zinc/80/95/33/636809533.db2.gz CNJZGPALQTYOAR-OBJOEFQTSA-N 2 2 291.399 0.613 20 0 CCADLP C[C@H]1C[C@@H](C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)CC[N@H+]1C ZINC000913452049 636809536 /nfs/dbraw/zinc/80/95/36/636809536.db2.gz CNJZGPALQTYOAR-OBJOEFQTSA-N 2 2 291.399 0.613 20 0 CCADLP C[C@@H]1[C@H](C(=O)N2CC[NH2+][C@H](c3cnn(C)c3)C2)CC[N@@H+]1C ZINC000913456981 636812508 /nfs/dbraw/zinc/81/25/08/636812508.db2.gz QMBFNWNWLIXUNL-BNOWGMLFSA-N 2 2 291.399 0.233 20 0 CCADLP C[C@@H]1[C@H](C(=O)N2CC[NH2+][C@H](c3cnn(C)c3)C2)CC[N@H+]1C ZINC000913456981 636812514 /nfs/dbraw/zinc/81/25/14/636812514.db2.gz QMBFNWNWLIXUNL-BNOWGMLFSA-N 2 2 291.399 0.233 20 0 CCADLP Cc1nocc1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000257658281 637175064 /nfs/dbraw/zinc/17/50/64/637175064.db2.gz BJROFFYYTRQGQH-CYBMUJFWSA-N 2 2 250.346 0.463 20 0 CCADLP O=C(N[C@H]1CC[N@H+](CCCO)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001014992160 637283505 /nfs/dbraw/zinc/28/35/05/637283505.db2.gz WDDWSHJFBNLRPI-STQMWFEESA-N 2 2 292.383 0.018 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@H]([NH2+]CCO)[C@H]2C1 ZINC000992880476 637632211 /nfs/dbraw/zinc/63/22/11/637632211.db2.gz VRFIMBIAYVYKBI-AVGNSLFASA-N 2 2 292.383 0.161 20 0 CCADLP C[C@H]1[C@H](NC(=O)NCC[NH+]2CCO[C@H](C)C2)CC[N@@H+]1C ZINC000915829690 637798682 /nfs/dbraw/zinc/79/86/82/637798682.db2.gz QMTDPOKYXOIHGO-FRRDWIJNSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@H]1[C@H](NC(=O)NCC[NH+]2CCO[C@H](C)C2)CC[N@H+]1C ZINC000915829690 637798684 /nfs/dbraw/zinc/79/86/84/637798684.db2.gz QMTDPOKYXOIHGO-FRRDWIJNSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@H]1[C@H](NC(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC[NH+]1C ZINC000915829690 637798688 /nfs/dbraw/zinc/79/86/88/637798688.db2.gz QMTDPOKYXOIHGO-FRRDWIJNSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@H]1[C@H](NC(=O)NCC[N@H+]2CCO[C@H](C)C2)CC[NH+]1C ZINC000915829690 637798693 /nfs/dbraw/zinc/79/86/93/637798693.db2.gz QMTDPOKYXOIHGO-FRRDWIJNSA-N 2 2 284.404 0.099 20 0 CCADLP CC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000994219254 637877544 /nfs/dbraw/zinc/87/75/44/637877544.db2.gz BEDLSTXWTBSGNX-YPMHNXCESA-N 2 2 264.373 0.952 20 0 CCADLP CC[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000994219254 637877547 /nfs/dbraw/zinc/87/75/47/637877547.db2.gz BEDLSTXWTBSGNX-YPMHNXCESA-N 2 2 264.373 0.952 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=S)NCCC[NH+](C)C ZINC000916013003 637884516 /nfs/dbraw/zinc/88/45/16/637884516.db2.gz KNOKCAWKZBBXOO-LLVKDONJSA-N 2 2 269.418 0.687 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NCC[NH+]2CCOCC2(C)C)CC[N@@H+]1C ZINC000916618967 637910986 /nfs/dbraw/zinc/91/09/86/637910986.db2.gz FFDLNORQFOCOGM-OLZOCXBDSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NCC[NH+]2CCOCC2(C)C)CC[N@H+]1C ZINC000916618967 637910989 /nfs/dbraw/zinc/91/09/89/637910989.db2.gz FFDLNORQFOCOGM-OLZOCXBDSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NCC[N@@H+]2CCOCC2(C)C)CC[NH+]1C ZINC000916618967 637910991 /nfs/dbraw/zinc/91/09/91/637910991.db2.gz FFDLNORQFOCOGM-OLZOCXBDSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NCC[N@H+]2CCOCC2(C)C)CC[NH+]1C ZINC000916618967 637910997 /nfs/dbraw/zinc/91/09/97/637910997.db2.gz FFDLNORQFOCOGM-OLZOCXBDSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC000941130804 638515726 /nfs/dbraw/zinc/51/57/26/638515726.db2.gz VFYYTVXXBSHEQO-VXGBXAGGSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC000941130804 638515731 /nfs/dbraw/zinc/51/57/31/638515731.db2.gz VFYYTVXXBSHEQO-VXGBXAGGSA-N 2 2 294.399 0.550 20 0 CCADLP Cn1nc2c(c1C[NH2+]C[C@@H](O)C[NH+]1CCCCC1)CCC2 ZINC000921587500 638865705 /nfs/dbraw/zinc/86/57/05/638865705.db2.gz QNYXUIIITGSHOK-CYBMUJFWSA-N 2 2 292.427 0.845 20 0 CCADLP CC[NH2+]CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000998118847 638895686 /nfs/dbraw/zinc/89/56/86/638895686.db2.gz IZWJVPZUWLYQPQ-UHFFFAOYSA-N 2 2 250.346 0.800 20 0 CCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC[C@H]([NH2+]CCF)C1 ZINC000999538601 638984994 /nfs/dbraw/zinc/98/49/94/638984994.db2.gz YNIDFFXSMONZBS-STQMWFEESA-N 2 2 294.374 0.996 20 0 CCADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC[C@H]([NH2+]CCF)C1 ZINC000999547391 638985275 /nfs/dbraw/zinc/98/52/75/638985275.db2.gz OWQFAAPUZDHBCK-STQMWFEESA-N 2 2 294.374 0.996 20 0 CCADLP O=C(c1cccc2[nH+]ccn21)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000999679898 638990041 /nfs/dbraw/zinc/99/00/41/638990041.db2.gz GAZTVNGCVWIUQD-GFCCVEGCSA-N 2 2 288.351 0.521 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC([NH2+]C[C@@H](C)O)C1 ZINC000999754616 638996979 /nfs/dbraw/zinc/99/69/79/638996979.db2.gz UUMYPVAIRRLZHC-OIKLOGQESA-N 2 2 280.372 0.220 20 0 CCADLP O=c1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc[nH]1 ZINC000921690532 639042113 /nfs/dbraw/zinc/04/21/13/639042113.db2.gz OMLXWPGOVMWKGI-CHWSQXEVSA-N 2 2 263.341 0.740 20 0 CCADLP O=c1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc[nH]1 ZINC000921690532 639042117 /nfs/dbraw/zinc/04/21/17/639042117.db2.gz OMLXWPGOVMWKGI-CHWSQXEVSA-N 2 2 263.341 0.740 20 0 CCADLP CC(C)[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001000321763 639070521 /nfs/dbraw/zinc/07/05/21/639070521.db2.gz VHALBQQJWMBRLQ-NSHDSACASA-N 2 2 250.346 0.941 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001001050826 639217093 /nfs/dbraw/zinc/21/70/93/639217093.db2.gz BOUVYRVWEHXUCS-KGLIPLIRSA-N 2 2 292.383 0.500 20 0 CCADLP CC[C@H](C[NH+]1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1)OC ZINC001003847814 639635335 /nfs/dbraw/zinc/63/53/35/639635335.db2.gz YYOBAGLQCNRDLD-CYBMUJFWSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H]([NH3+])[C@@H]1C[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000923296282 640075631 /nfs/dbraw/zinc/07/56/31/640075631.db2.gz FDEYXBGJYNQLSH-MNFFZHCASA-N 3 2 267.417 0.955 20 0 CCADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000923296282 640075635 /nfs/dbraw/zinc/07/56/35/640075635.db2.gz FDEYXBGJYNQLSH-MNFFZHCASA-N 3 2 267.417 0.955 20 0 CCADLP Cc1csc(N2CC[N@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)C[C@@H]2C)n1 ZINC000923321187 640084333 /nfs/dbraw/zinc/08/43/33/640084333.db2.gz DCUGAKGQOOKVSW-CYDGBPFRSA-N 2 2 296.440 0.813 20 0 CCADLP Cc1csc(N2CC[N@@H+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)C[C@@H]2C)n1 ZINC000923321187 640084342 /nfs/dbraw/zinc/08/43/42/640084342.db2.gz DCUGAKGQOOKVSW-CYDGBPFRSA-N 2 2 296.440 0.813 20 0 CCADLP O=C1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)Cc2ccccc2N1 ZINC000923387476 640118468 /nfs/dbraw/zinc/11/84/68/640118468.db2.gz KMZKLXBKRRRUHH-ZDUSSCGKSA-N 2 2 287.363 0.819 20 0 CCADLP O=C1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)Cc2ccccc2N1 ZINC000923387476 640118473 /nfs/dbraw/zinc/11/84/73/640118473.db2.gz KMZKLXBKRRRUHH-ZDUSSCGKSA-N 2 2 287.363 0.819 20 0 CCADLP FC(F)(F)COCCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923461976 640150845 /nfs/dbraw/zinc/15/08/45/640150845.db2.gz ZNRPVZTYDUXCFG-UHFFFAOYSA-N 2 2 269.311 0.450 20 0 CCADLP FC(F)(F)COCCC[N@@H+]1CCNCC[NH2+]CC1 ZINC000923461976 640150850 /nfs/dbraw/zinc/15/08/50/640150850.db2.gz ZNRPVZTYDUXCFG-UHFFFAOYSA-N 2 2 269.311 0.450 20 0 CCADLP FC(F)(F)COCCC[N@H+]1CCNCC[NH2+]CC1 ZINC000923461976 640150855 /nfs/dbraw/zinc/15/08/55/640150855.db2.gz ZNRPVZTYDUXCFG-UHFFFAOYSA-N 2 2 269.311 0.450 20 0 CCADLP O=C(C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)NCc1cccs1 ZINC000923521392 640174142 /nfs/dbraw/zinc/17/41/42/640174142.db2.gz PYAUMBHCXVCOCU-NWDGAFQWSA-N 2 2 279.409 0.906 20 0 CCADLP O=C(C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)NCc1cccs1 ZINC000923521392 640174149 /nfs/dbraw/zinc/17/41/49/640174149.db2.gz PYAUMBHCXVCOCU-NWDGAFQWSA-N 2 2 279.409 0.906 20 0 CCADLP O=C(CC[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2)N1CCOCC1 ZINC000923534899 640178912 /nfs/dbraw/zinc/17/89/12/640178912.db2.gz SFUZATYJYRALDU-HNNXBMFYSA-N 2 2 281.400 0.453 20 0 CCADLP O=C(CC[N@H+]1CC[C@]2(C1)CCCC[NH2+]2)N1CCOCC1 ZINC000923534899 640178919 /nfs/dbraw/zinc/17/89/19/640178919.db2.gz SFUZATYJYRALDU-HNNXBMFYSA-N 2 2 281.400 0.453 20 0 CCADLP Cc1cnn([C@@H]2CC[N@H+](C[C@@H](O)C[NH+]3CCCC3)C2)c1 ZINC000810121775 640926025 /nfs/dbraw/zinc/92/60/25/640926025.db2.gz QQIOFRCLFHIYNO-CABCVRRESA-N 2 2 278.400 0.895 20 0 CCADLP Cc1cnn([C@@H]2CC[N@@H+](C[C@@H](O)C[NH+]3CCCC3)C2)c1 ZINC000810121775 640926027 /nfs/dbraw/zinc/92/60/27/640926027.db2.gz QQIOFRCLFHIYNO-CABCVRRESA-N 2 2 278.400 0.895 20 0 CCADLP OCCCCCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000817917750 641280279 /nfs/dbraw/zinc/28/02/79/641280279.db2.gz FHMRNMSOQLJATP-UONOGXRCSA-N 2 2 256.390 0.896 20 0 CCADLP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000820974207 641551627 /nfs/dbraw/zinc/55/16/27/641551627.db2.gz CUEWNRYLQHKKMW-HUUCEWRRSA-N 2 2 295.427 0.842 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001015997115 650671822 /nfs/dbraw/zinc/67/18/22/650671822.db2.gz WFGINPDMQJGTRL-CYBMUJFWSA-N 2 2 276.384 0.953 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001015997115 650671823 /nfs/dbraw/zinc/67/18/23/650671823.db2.gz WFGINPDMQJGTRL-CYBMUJFWSA-N 2 2 276.384 0.953 20 0 CCADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@]1(F)CC[NH2+]C1 ZINC000827072806 641975362 /nfs/dbraw/zinc/97/53/62/641975362.db2.gz WFWVLRNRCAAGBH-HNNXBMFYSA-N 2 2 292.358 0.868 20 0 CCADLP C[C@H]([C@H](C)NC(=O)C[C@H]([NH3+])C1CC1)[NH+]1CCOCC1 ZINC000828772767 642118608 /nfs/dbraw/zinc/11/86/08/642118608.db2.gz WVDHDIMNDKXAAG-LOWVWBTDSA-N 2 2 269.389 0.339 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC001016398546 650725633 /nfs/dbraw/zinc/72/56/33/650725633.db2.gz VAHLCXNDSGHJFE-KBPBESRZSA-N 2 2 292.383 0.643 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC001016398546 650725637 /nfs/dbraw/zinc/72/56/37/650725637.db2.gz VAHLCXNDSGHJFE-KBPBESRZSA-N 2 2 292.383 0.643 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3n[nH]c4c3C[NH2+]CC4)C[C@@H]21 ZINC000834474707 642571638 /nfs/dbraw/zinc/57/16/38/642571638.db2.gz DTRCRPJBXCOQOO-ZMLRMANQSA-N 2 2 289.383 0.255 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC12CC[NH+](CCCO)CC2 ZINC001016902501 650770268 /nfs/dbraw/zinc/77/02/68/650770268.db2.gz JBRQQRJBSRTNLP-GFCCVEGCSA-N 2 2 292.383 0.305 20 0 CCADLP Cc1ccc(NC(=O)NC[C@@H](C)[NH3+])c(N(C)C)[nH+]1 ZINC000841154143 642805982 /nfs/dbraw/zinc/80/59/82/642805982.db2.gz ANPAOINJDVIASV-MRVPVSSYSA-N 2 2 251.334 0.925 20 0 CCADLP C[C@@H]1CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C[C@H]1C[NH3+] ZINC000842510250 642902779 /nfs/dbraw/zinc/90/27/79/642902779.db2.gz PMZOFTKNYXSCNZ-NXEZZACHSA-N 2 2 277.372 0.112 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)CCCCCC[NH3+])CCO1 ZINC000844178837 643172896 /nfs/dbraw/zinc/17/28/96/643172896.db2.gz PDMSHMGJRQTUFX-ZDUSSCGKSA-N 2 2 271.405 0.733 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)CCCCCC[NH3+])CCO1 ZINC000844178837 643172904 /nfs/dbraw/zinc/17/29/04/643172904.db2.gz PDMSHMGJRQTUFX-ZDUSSCGKSA-N 2 2 271.405 0.733 20 0 CCADLP C[C@H](CC(=O)NOC1CC[NH+](C)CC1)n1cc[nH+]c1 ZINC000846651201 643435403 /nfs/dbraw/zinc/43/54/03/643435403.db2.gz LIFFDQBSZDYIPH-LLVKDONJSA-N 2 2 266.345 0.976 20 0 CCADLP COC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001018337182 650853701 /nfs/dbraw/zinc/85/37/01/650853701.db2.gz IMEIRXKSHOFNEF-MCIONIFRSA-N 2 2 292.383 0.593 20 0 CCADLP COC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001018337182 650853702 /nfs/dbraw/zinc/85/37/02/650853702.db2.gz IMEIRXKSHOFNEF-MCIONIFRSA-N 2 2 292.383 0.593 20 0 CCADLP O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CCc2[nH+]ccn2C1 ZINC000848426458 643635902 /nfs/dbraw/zinc/63/59/02/643635902.db2.gz CPDQYGVPKXSUTP-ZJUUUORDSA-N 2 2 284.310 0.559 20 0 CCADLP C[C@@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848432224 643636683 /nfs/dbraw/zinc/63/66/83/643636683.db2.gz WEANNEQYOCWKHL-CIQGVGRVSA-N 2 2 287.379 0.302 20 0 CCADLP C[C@@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848432224 643636685 /nfs/dbraw/zinc/63/66/85/643636685.db2.gz WEANNEQYOCWKHL-CIQGVGRVSA-N 2 2 287.379 0.302 20 0 CCADLP C[N@@H+](CC1=CCCOC1)C[C@@H](O)C[NH+]1CCCC1 ZINC000852519299 643977026 /nfs/dbraw/zinc/97/70/26/643977026.db2.gz YDEPCIYLNHCSMV-CQSZACIVSA-N 2 2 254.374 0.722 20 0 CCADLP C[N@H+](CC1=CCCOC1)C[C@@H](O)C[NH+]1CCCC1 ZINC000852519299 643977031 /nfs/dbraw/zinc/97/70/31/643977031.db2.gz YDEPCIYLNHCSMV-CQSZACIVSA-N 2 2 254.374 0.722 20 0 CCADLP c1n[nH]cc1C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000852746249 643993785 /nfs/dbraw/zinc/99/37/85/643993785.db2.gz KJENKPLGTBUWRG-CYBMUJFWSA-N 2 2 250.346 0.578 20 0 CCADLP Cc1nc(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cs1 ZINC000855416965 644316774 /nfs/dbraw/zinc/31/67/74/644316774.db2.gz RLRHHQVQMHODJH-UHFFFAOYSA-N 2 2 298.456 0.994 20 0 CCADLP Cc1nc(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)cs1 ZINC000855416965 644316779 /nfs/dbraw/zinc/31/67/79/644316779.db2.gz RLRHHQVQMHODJH-UHFFFAOYSA-N 2 2 298.456 0.994 20 0 CCADLP C[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)N1CC[NH+](C)CC1 ZINC000925490139 644411794 /nfs/dbraw/zinc/41/17/94/644411794.db2.gz AVCHIVZZGLGNAO-KBPBESRZSA-N 3 2 266.433 0.497 20 0 CCADLP CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ncccn2)C1)[NH+](C)C ZINC001019033484 650932729 /nfs/dbraw/zinc/93/27/29/650932729.db2.gz PUKXVZJOMWFPEK-QWHCGFSZSA-N 2 2 291.399 0.507 20 0 CCADLP C[C@@H]([NH3+])C[C@H](C)[NH2+]C(c1ccnn1C)c1ccnn1C ZINC000863548351 645105541 /nfs/dbraw/zinc/10/55/41/645105541.db2.gz OSZAXNURKUPRDW-MNOVXSKESA-N 2 2 276.388 0.958 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c[nH+]1 ZINC000864060087 645157539 /nfs/dbraw/zinc/15/75/39/645157539.db2.gz XXJQGMWHDFKBFF-QWHCGFSZSA-N 2 2 292.383 0.204 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c[nH+]1 ZINC000864060087 645157542 /nfs/dbraw/zinc/15/75/42/645157542.db2.gz XXJQGMWHDFKBFF-QWHCGFSZSA-N 2 2 292.383 0.204 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]([NH2+]C[C@@H]2CCCCO2)C1 ZINC001019566233 650988730 /nfs/dbraw/zinc/98/87/30/650988730.db2.gz XKDGATAVAHKZIT-STQMWFEESA-N 2 2 292.383 0.712 20 0 CCADLP c1c(CCC[NH+]2CCOCC2)nnn1-c1cc[nH+]cc1 ZINC000864624857 645253014 /nfs/dbraw/zinc/25/30/14/645253014.db2.gz XCTIZMMOTPCWQH-UHFFFAOYSA-N 2 2 273.340 0.927 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]([NH2+]CCF)C1 ZINC001019655276 650995981 /nfs/dbraw/zinc/99/59/81/650995981.db2.gz MGYTXEMYJKZQPP-JTQLQIEISA-N 2 2 254.309 0.123 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]([NH2+]CC2CCC2)C1 ZINC001019654086 650996220 /nfs/dbraw/zinc/99/62/20/650996220.db2.gz USMUICRQPOMXQZ-ZDUSSCGKSA-N 2 2 276.384 0.953 20 0 CCADLP O=C(/C=C/C[NH+]1CCOCC1)NCC[NH+]1CCCCC1 ZINC000864878687 645298786 /nfs/dbraw/zinc/29/87/86/645298786.db2.gz AGBJKINLQMZNCK-SNAWJCMRSA-N 2 2 281.400 0.477 20 0 CCADLP Cn1ncc2cc(C[NH2+]CCn3cc[nH+]c3)cnc21 ZINC000865401859 645362758 /nfs/dbraw/zinc/36/27/58/645362758.db2.gz ASJMOPMWMNJAOJ-UHFFFAOYSA-N 2 2 256.313 0.955 20 0 CCADLP Cn1nccc1C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001019868407 651011638 /nfs/dbraw/zinc/01/16/38/651011638.db2.gz CDEFYKGBXCIWEU-LBPRGKRZSA-N 2 2 288.355 0.007 20 0 CCADLP C[C@@H](CNC(=O)CCC12CC(C1)C[NH2+]2)[NH+]1CCN(C)CC1 ZINC000870888093 646037983 /nfs/dbraw/zinc/03/79/83/646037983.db2.gz BXCYPOCKNGPGCK-HLIUYOAVSA-N 2 2 294.443 0.271 20 0 CCADLP [NH3+][C@H]1CC[C@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000870953845 646060065 /nfs/dbraw/zinc/06/00/65/646060065.db2.gz PMPIYCLKBFEEAI-IHRRRGAJSA-N 2 2 281.400 0.437 20 0 CCADLP [NH3+][C@@H](CC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000123521131 646122486 /nfs/dbraw/zinc/12/24/86/646122486.db2.gz JNXRJNPPWVUSBA-ZDUSSCGKSA-N 2 2 274.368 0.858 20 0 CCADLP C[C@@H]1C[N@H+](CCN2C[C@@H]3C[NH2+]C[C@]3(C)C2)CCO1 ZINC000872153791 646215343 /nfs/dbraw/zinc/21/53/43/646215343.db2.gz GJYNBVPIKNYWMI-HZSPNIEDSA-N 2 2 253.390 0.248 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2C[C@@H]3C[NH2+]C[C@]3(C)C2)CCO1 ZINC000872153791 646215348 /nfs/dbraw/zinc/21/53/48/646215348.db2.gz GJYNBVPIKNYWMI-HZSPNIEDSA-N 2 2 253.390 0.248 20 0 CCADLP [NH3+]Cc1cn(-c2cccc(C[NH2+][C@H]3CCC[NH2+]C3)c2)nn1 ZINC000873218504 646360798 /nfs/dbraw/zinc/36/07/98/646360798.db2.gz ICHDMOPRJDNENV-ZDUSSCGKSA-N 3 2 286.383 0.568 20 0 CCADLP [NH3+]Cc1cn(-c2cccc(C[NH2+]CC34CC(C3)C[NH2+]4)c2)nn1 ZINC000873217815 646361743 /nfs/dbraw/zinc/36/17/43/646361743.db2.gz QXFDXEIATZRORI-UHFFFAOYSA-N 3 2 298.394 0.568 20 0 CCADLP [NH3+]Cc1cn(-c2cccc(C[NH2+][C@H]3CCC[C@@H]3[NH3+])c2)nn1 ZINC000873243036 646365138 /nfs/dbraw/zinc/36/51/38/646365138.db2.gz ITJKTGLAOZKNMV-GJZGRUSLSA-N 3 2 286.383 0.695 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC000876745222 646654524 /nfs/dbraw/zinc/65/45/24/646654524.db2.gz AXNSJWSWQICCAJ-JHJVBQTASA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CC[C@H]([NH3+])CC2)CCO1 ZINC000876745222 646654527 /nfs/dbraw/zinc/65/45/27/646654527.db2.gz AXNSJWSWQICCAJ-JHJVBQTASA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H](F)[C@H]2CC[NH2+]C2)[C@@H](C)CO1 ZINC000876961424 646707923 /nfs/dbraw/zinc/70/79/23/646707923.db2.gz TXZJSNQBNGXKKL-QNWHQSFQSA-N 2 2 287.379 0.159 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H](F)[C@H]2CC[NH2+]C2)[C@@H](C)CO1 ZINC000876961424 646707934 /nfs/dbraw/zinc/70/79/34/646707934.db2.gz TXZJSNQBNGXKKL-QNWHQSFQSA-N 2 2 287.379 0.159 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C1([NH3+])CCCCC1 ZINC000877432135 646814281 /nfs/dbraw/zinc/81/42/81/646814281.db2.gz AWSGKVKXVWAWIK-ZDUSSCGKSA-N 2 2 283.416 0.875 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C1([NH3+])CCCCC1 ZINC000877432135 646814284 /nfs/dbraw/zinc/81/42/84/646814284.db2.gz AWSGKVKXVWAWIK-ZDUSSCGKSA-N 2 2 283.416 0.875 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCC([C@H](F)C(N)=O)CC1 ZINC000879040398 647017590 /nfs/dbraw/zinc/01/75/90/647017590.db2.gz BDYIAONEAKQQAL-LBPRGKRZSA-N 2 2 268.336 0.498 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879593771 647079475 /nfs/dbraw/zinc/07/94/75/647079475.db2.gz MRDIKVGZXIEFGB-UHFFFAOYSA-N 3 2 291.443 0.903 20 0 CCADLP O[C@H](C[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1)C1CC1 ZINC000880206865 647170634 /nfs/dbraw/zinc/17/06/34/647170634.db2.gz LOXPAMYFRWPQFQ-HUUCEWRRSA-N 2 2 268.401 0.990 20 0 CCADLP O[C@H](C[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1)C1CC1 ZINC000880206865 647170640 /nfs/dbraw/zinc/17/06/40/647170640.db2.gz LOXPAMYFRWPQFQ-HUUCEWRRSA-N 2 2 268.401 0.990 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261526 647176261 /nfs/dbraw/zinc/17/62/61/647176261.db2.gz LQYVKLSKRYMERQ-GHMZBOCLSA-N 2 2 291.355 0.176 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261526 647176271 /nfs/dbraw/zinc/17/62/71/647176271.db2.gz LQYVKLSKRYMERQ-GHMZBOCLSA-N 2 2 291.355 0.176 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1C[NH2+]CC1(C)C)Cn1cc[nH+]c1 ZINC000884196667 647664503 /nfs/dbraw/zinc/66/45/03/647664503.db2.gz XPKVBAXDAVWUNL-RYUDHWBXSA-N 2 2 264.373 0.881 20 0 CCADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1[C@H]1CCNC1=O ZINC000887132596 648071722 /nfs/dbraw/zinc/07/17/22/648071722.db2.gz IZZBQEZTCDMSCM-AAEUAGOBSA-N 2 2 260.341 0.481 20 0 CCADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1[C@H]1CCNC1=O ZINC000887132596 648071724 /nfs/dbraw/zinc/07/17/24/648071724.db2.gz IZZBQEZTCDMSCM-AAEUAGOBSA-N 2 2 260.341 0.481 20 0 CCADLP C[C@@H](C[NH2+][C@@H]1CCC[NH2+][C@H]1C)N1CC[NH+](C)CC1 ZINC000925490050 648438704 /nfs/dbraw/zinc/43/87/04/648438704.db2.gz AHWQPTNBAIIBKV-MELADBBJSA-N 3 2 254.422 0.352 20 0 CCADLP NC(=O)c1ccc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc1 ZINC000925508173 648440071 /nfs/dbraw/zinc/44/00/71/648440071.db2.gz ZDDYHGLZMNZCMD-XPABHHOTSA-N 2 2 271.364 0.872 20 0 CCADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cnnn1C ZINC000925554451 648442891 /nfs/dbraw/zinc/44/28/91/648442891.db2.gz AMLXGOUEZVKVGR-NJZAAPMLSA-N 2 2 293.415 0.844 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000925609274 648446889 /nfs/dbraw/zinc/44/68/89/648446889.db2.gz RRSJZPZCDMQNDH-GJZGRUSLSA-N 3 2 268.449 0.744 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000925609274 648446893 /nfs/dbraw/zinc/44/68/93/648446893.db2.gz RRSJZPZCDMQNDH-GJZGRUSLSA-N 3 2 268.449 0.744 20 0 CCADLP Cn1cc([C@H](CO)[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)cn1 ZINC000925625796 648448673 /nfs/dbraw/zinc/44/86/73/648448673.db2.gz KWSFWXPFZCIDIM-TUAOUCFPSA-N 2 2 250.346 0.313 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](CO)C[C@H]1CCCO1 ZINC000925765755 648459001 /nfs/dbraw/zinc/45/90/01/648459001.db2.gz DQQKGOGQJZIZBK-XJFOESAGSA-N 2 2 272.389 0.273 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000926175343 648491311 /nfs/dbraw/zinc/49/13/11/648491311.db2.gz XJMBYFLJXYFDEY-KFWWJZLASA-N 2 2 267.417 0.660 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000926175343 648491316 /nfs/dbraw/zinc/49/13/16/648491316.db2.gz XJMBYFLJXYFDEY-KFWWJZLASA-N 2 2 267.417 0.660 20 0 CCADLP C[C@@H]1[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CO[C@H]1C ZINC000926747740 648523677 /nfs/dbraw/zinc/52/36/77/648523677.db2.gz XRQNRHNLLPNSLC-CYDGBPFRSA-N 2 2 269.389 0.339 20 0 CCADLP C[C@@H]1[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CO[C@H]1C ZINC000926747740 648523680 /nfs/dbraw/zinc/52/36/80/648523680.db2.gz XRQNRHNLLPNSLC-CYDGBPFRSA-N 2 2 269.389 0.339 20 0 CCADLP c1cn(C2CC[NH+](C[C@@H]3COCCO3)CC2)c[nH+]1 ZINC000929804027 648794701 /nfs/dbraw/zinc/79/47/01/648794701.db2.gz REDPOCBSEQRZOK-CYBMUJFWSA-N 2 2 251.330 0.935 20 0 CCADLP C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@H+]1CCCn1cc[nH+]c1 ZINC000930835238 648913565 /nfs/dbraw/zinc/91/35/65/648913565.db2.gz AIXGUHLHKUUUOI-SDDRHHMPSA-N 2 2 250.346 0.871 20 0 CCADLP C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@@H+]1CCCn1cc[nH+]c1 ZINC000930835238 648913569 /nfs/dbraw/zinc/91/35/69/648913569.db2.gz AIXGUHLHKUUUOI-SDDRHHMPSA-N 2 2 250.346 0.871 20 0 CCADLP CNC(=O)c1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000078357473 649472795 /nfs/dbraw/zinc/47/27/95/649472795.db2.gz XPSWWRZCVSBGBN-HNNXBMFYSA-N 2 2 291.395 0.593 20 0 CCADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1nnnn1C1CC1 ZINC000191499793 649480860 /nfs/dbraw/zinc/48/08/60/649480860.db2.gz RJFTZJUJAMCYOG-JTQLQIEISA-N 2 2 261.333 0.945 20 0 CCADLP CN(C(=O)Cn1cc[nH+]c1)C1CC[NH+](CCF)CC1 ZINC001006473101 649526522 /nfs/dbraw/zinc/52/65/22/649526522.db2.gz NRRQWDGFLGTRHS-UHFFFAOYSA-N 2 2 268.336 0.775 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000094750353 649748023 /nfs/dbraw/zinc/74/80/23/649748023.db2.gz VOPAVILGFYYZJD-MJBXVCDLSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1c1cc[nH+]c(N2CCOCC2)n1 ZINC000443512561 719216040 /nfs/dbraw/zinc/21/60/40/719216040.db2.gz VDCUYIFBOPIITB-CHWSQXEVSA-N 2 2 291.399 0.842 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1cc[nH+]c(N2CCOCC2)n1 ZINC000443512561 719216044 /nfs/dbraw/zinc/21/60/44/719216044.db2.gz VDCUYIFBOPIITB-CHWSQXEVSA-N 2 2 291.399 0.842 20 0 CCADLP C[C@@H]1CN(c2cc[nH+]c(N3CCOCC3)n2)[C@@H](C)C[N@@H+]1C ZINC000443512564 719217057 /nfs/dbraw/zinc/21/70/57/719217057.db2.gz VDCUYIFBOPIITB-OLZOCXBDSA-N 2 2 291.399 0.842 20 0 CCADLP C[C@@H]1CN(c2cc[nH+]c(N3CCOCC3)n2)[C@@H](C)C[N@H+]1C ZINC000443512564 719217061 /nfs/dbraw/zinc/21/70/61/719217061.db2.gz VDCUYIFBOPIITB-OLZOCXBDSA-N 2 2 291.399 0.842 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001266322821 790504605 /nfs/dbraw/zinc/50/46/05/790504605.db2.gz OMZRONYYODSYAI-LBPRGKRZSA-N 2 2 250.346 0.941 20 0 CCADLP CC(C)[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001266322821 790504612 /nfs/dbraw/zinc/50/46/12/790504612.db2.gz OMZRONYYODSYAI-LBPRGKRZSA-N 2 2 250.346 0.941 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001266322821 790504618 /nfs/dbraw/zinc/50/46/18/790504618.db2.gz OMZRONYYODSYAI-LBPRGKRZSA-N 2 2 250.346 0.941 20 0 CCADLP CC(C)[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001266322821 790504627 /nfs/dbraw/zinc/50/46/27/790504627.db2.gz OMZRONYYODSYAI-LBPRGKRZSA-N 2 2 250.346 0.941 20 0 CCADLP CCOCC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001266334162 790528874 /nfs/dbraw/zinc/52/88/74/790528874.db2.gz ZNZFQIBOZOANQR-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP CCOCC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001266334162 790528884 /nfs/dbraw/zinc/52/88/84/790528884.db2.gz ZNZFQIBOZOANQR-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP C[C@H](O)C[NH2+]CC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001206872631 790666444 /nfs/dbraw/zinc/66/64/44/790666444.db2.gz MOULHPHJSIDAPD-LBPRGKRZSA-N 2 2 294.399 0.172 20 0 CCADLP FCC[NH+]1CCC(OCC[NH+]2CCOCC2)CC1 ZINC001210209197 790824509 /nfs/dbraw/zinc/82/45/09/790824509.db2.gz YEPPHNSKOQRGKP-UHFFFAOYSA-N 2 2 260.353 0.769 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCCC1(C[NH2+]CCCO)CC1 ZINC001167331630 790907237 /nfs/dbraw/zinc/90/72/37/790907237.db2.gz TZXPRDOJSGIMRH-UHFFFAOYSA-N 2 2 280.372 0.211 20 0 CCADLP CCCC[C@@H]([NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1)C(N)=O ZINC001167349875 790945053 /nfs/dbraw/zinc/94/50/53/790945053.db2.gz JIFNSXCUDDVDMV-GFCCVEGCSA-N 2 2 295.387 0.092 20 0 CCADLP CO[C@@H](C)C[NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001167428740 791064124 /nfs/dbraw/zinc/06/41/24/791064124.db2.gz MVNVEJYGUJADTL-STQMWFEESA-N 2 2 282.388 0.965 20 0 CCADLP COCCOCN1CC2(C1)C[NH+](C1CC[NH+](C)CC1)C2 ZINC001277627340 805906617 /nfs/dbraw/zinc/90/66/17/805906617.db2.gz QXHFHDDGQVDSBY-UHFFFAOYSA-N 2 2 283.416 0.319 20 0 CCADLP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](C3CC[NH+](C)CC3)C[C@@H]21 ZINC001277627592 805907419 /nfs/dbraw/zinc/90/74/19/805907419.db2.gz WWOWKVODNNYXQI-HOTGVXAUSA-N 3 2 296.459 0.027 20 0 CCADLP C[NH+](C)CCN1CCO[C@H]2C[N@H+](C3CC[NH+](C)CC3)C[C@@H]21 ZINC001277627592 805907420 /nfs/dbraw/zinc/90/74/20/805907420.db2.gz WWOWKVODNNYXQI-HOTGVXAUSA-N 3 2 296.459 0.027 20 0 CCADLP O[C@H](C[NH2+][C@H]1CCC[NH2+]C1)COc1cccc(F)c1 ZINC001245979131 807105278 /nfs/dbraw/zinc/10/52/78/807105278.db2.gz IBTDUNDKIRORCY-QWHCGFSZSA-N 2 2 268.332 0.907 20 0 CCADLP COc1nc(Cl)nc(NCC[NH+]2CCC([NH3+])CC2)n1 ZINC000721957123 806013935 /nfs/dbraw/zinc/01/39/35/806013935.db2.gz AEEFBPOQWMEEAF-UHFFFAOYSA-N 2 2 286.767 0.369 20 0 CCADLP Nc1cccc(CN2CCO[C@@H](C[NH+]3CCCC3)C2)[nH+]1 ZINC001233373170 806049110 /nfs/dbraw/zinc/04/91/10/806049110.db2.gz WBMHSPGKOGQHSW-AWEZNQCLSA-N 2 2 276.384 0.960 20 0 CCADLP CCC[NH+]1C[C@H]2C[NH+](CC3C(=O)N=CNC3=O)C[C@@H]2C1 ZINC001140473614 791325484 /nfs/dbraw/zinc/32/54/84/791325484.db2.gz CGSFMEBPVJUURS-QWRGUYRKSA-N 2 2 278.356 0.661 20 0 CCADLP CN(CC[NH2+]C[C@@H]1CC(C)(C)CO1)C(=O)Cc1[nH]cc[nH+]1 ZINC001266911743 791339939 /nfs/dbraw/zinc/33/99/39/791339939.db2.gz SEBHRWZBIMEJAE-LBPRGKRZSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CC[C@H]1OC ZINC000724190594 791449402 /nfs/dbraw/zinc/44/94/02/791449402.db2.gz YUCMIHFDEUGMKW-RWMBFGLXSA-N 2 2 260.378 0.035 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CC[C@H]1OC ZINC000724190594 791449404 /nfs/dbraw/zinc/44/94/04/791449404.db2.gz YUCMIHFDEUGMKW-RWMBFGLXSA-N 2 2 260.378 0.035 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CC[C@H]1OC ZINC000724190594 791449407 /nfs/dbraw/zinc/44/94/07/791449407.db2.gz YUCMIHFDEUGMKW-RWMBFGLXSA-N 2 2 260.378 0.035 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CC[C@H]1OC ZINC000724190594 791449413 /nfs/dbraw/zinc/44/94/13/791449413.db2.gz YUCMIHFDEUGMKW-RWMBFGLXSA-N 2 2 260.378 0.035 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H](C[NH2+]CCF)C1 ZINC001267054133 791483013 /nfs/dbraw/zinc/48/30/13/791483013.db2.gz WBNXBPWHIZZYAJ-GFCCVEGCSA-N 2 2 268.336 0.681 20 0 CCADLP Cc1nc[nH]c1C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001204588496 791566342 /nfs/dbraw/zinc/56/63/42/791566342.db2.gz GXNLUEDZEXESNX-UHFFFAOYSA-N 2 2 251.378 0.397 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1CCC[NH2+]C1)COCc1ccco1 ZINC001246009721 807114047 /nfs/dbraw/zinc/11/40/47/807114047.db2.gz GPVHBBFAKBXTAR-NEPJUHHUSA-N 2 2 254.330 0.499 20 0 CCADLP C[NH+](C)CCN1CCO[C@H]2C[N@H+](CC(=O)C(C)(C)C)C[C@@H]21 ZINC001277848058 806227014 /nfs/dbraw/zinc/22/70/14/806227014.db2.gz QFELKDTUNRZIRX-KBPBESRZSA-N 2 2 297.443 0.548 20 0 CCADLP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](CC(=O)C(C)(C)C)C[C@@H]21 ZINC001277848058 806227023 /nfs/dbraw/zinc/22/70/23/806227023.db2.gz QFELKDTUNRZIRX-KBPBESRZSA-N 2 2 297.443 0.548 20 0 CCADLP Oc1ccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c(F)c1F ZINC001234989755 806336380 /nfs/dbraw/zinc/33/63/80/806336380.db2.gz SSRPFXMUGXASGK-CQSZACIVSA-N 2 2 283.322 0.808 20 0 CCADLP c1ccc(COCC[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235053903 806354694 /nfs/dbraw/zinc/35/46/94/806354694.db2.gz LKBPJNJGTGNUFK-INIZCTEOSA-N 2 2 275.396 0.841 20 0 CCADLP c1ccc(COCC[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235053903 806354704 /nfs/dbraw/zinc/35/47/04/806354704.db2.gz LKBPJNJGTGNUFK-INIZCTEOSA-N 2 2 275.396 0.841 20 0 CCADLP CC(=O)Nc1ccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235054613 806357469 /nfs/dbraw/zinc/35/74/69/806357469.db2.gz XBYZFQNGLZPPFM-MRXNPFEDSA-N 2 2 288.395 0.782 20 0 CCADLP CC(=O)Nc1ccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235054613 806357477 /nfs/dbraw/zinc/35/74/77/806357477.db2.gz XBYZFQNGLZPPFM-MRXNPFEDSA-N 2 2 288.395 0.782 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+]1C[C@@H](C(=O)N2CCCC2)C[C@H]2OCC[C@H]21 ZINC001235484143 806431348 /nfs/dbraw/zinc/43/13/48/806431348.db2.gz OSXDWSCAPBTTLT-XJFOESAGSA-N 2 2 281.400 0.435 20 0 CCADLP C[C@@H]([NH3+])C[N@H+]1C[C@@H](C(=O)N2CCCC2)C[C@H]2OCC[C@H]21 ZINC001235484143 806431350 /nfs/dbraw/zinc/43/13/50/806431350.db2.gz OSXDWSCAPBTTLT-XJFOESAGSA-N 2 2 281.400 0.435 20 0 CCADLP CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1C[C@H](C)[NH3+] ZINC001235514408 806440469 /nfs/dbraw/zinc/44/04/69/806440469.db2.gz GOBCCAFPZGSSLR-FZMZJTMJSA-N 2 2 293.415 0.847 20 0 CCADLP [NH3+]CC[N@@H+]1CC[C@]2(C1)CCCN(c1ncccn1)C2 ZINC001235514193 806441329 /nfs/dbraw/zinc/44/13/29/806441329.db2.gz DNCLRRBPBBQISN-AWEZNQCLSA-N 2 2 261.373 0.728 20 0 CCADLP [NH3+]CC[N@H+]1CC[C@]2(C1)CCCN(c1ncccn1)C2 ZINC001235514193 806441335 /nfs/dbraw/zinc/44/13/35/806441335.db2.gz DNCLRRBPBBQISN-AWEZNQCLSA-N 2 2 261.373 0.728 20 0 CCADLP [NH3+]CC[NH+]1CCC2(C[C@H](CC(=O)N3CCCC3)CO2)CC1 ZINC001235557090 806455388 /nfs/dbraw/zinc/45/53/88/806455388.db2.gz DNQXYYDXXFJGCS-AWEZNQCLSA-N 2 2 295.427 0.829 20 0 CCADLP Cn1cc(C[N@@H+]2CCCC23CC[NH+](CCO)CC3)cn1 ZINC001235560396 806456542 /nfs/dbraw/zinc/45/65/42/806456542.db2.gz RJYDWYSJTWSMJK-UHFFFAOYSA-N 2 2 278.400 0.843 20 0 CCADLP Cn1cc(C[N@H+]2CCCC23CC[NH+](CCO)CC3)cn1 ZINC001235560396 806456545 /nfs/dbraw/zinc/45/65/45/806456545.db2.gz RJYDWYSJTWSMJK-UHFFFAOYSA-N 2 2 278.400 0.843 20 0 CCADLP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@@H+](CCO)CCC2 ZINC001235576248 806462091 /nfs/dbraw/zinc/46/20/91/806462091.db2.gz ODXFLBWEVGQIGE-UHFFFAOYSA-N 2 2 294.399 0.283 20 0 CCADLP CC[NH+](CC)Cc1cc(=O)n2c(n1)C[N@H+](CCO)CCC2 ZINC001235576248 806462095 /nfs/dbraw/zinc/46/20/95/806462095.db2.gz ODXFLBWEVGQIGE-UHFFFAOYSA-N 2 2 294.399 0.283 20 0 CCADLP [NH3+]CC[N@@H+]1CC[C@H]2OCC[C@@H](C(=O)NC3CCCC3)[C@@H]2C1 ZINC001235574273 806462347 /nfs/dbraw/zinc/46/23/47/806462347.db2.gz YFCDCUVLQNWDJF-QLFBSQMISA-N 2 2 295.427 0.731 20 0 CCADLP [NH3+]CC[N@H+]1CC[C@H]2OCC[C@@H](C(=O)NC3CCCC3)[C@@H]2C1 ZINC001235574273 806462351 /nfs/dbraw/zinc/46/23/51/806462351.db2.gz YFCDCUVLQNWDJF-QLFBSQMISA-N 2 2 295.427 0.731 20 0 CCADLP [NH3+]CC[N@@H+]1CC[C@H]2CO[C@H](CNC(=O)c3ccco3)[C@H]2C1 ZINC001235660184 806484541 /nfs/dbraw/zinc/48/45/41/806484541.db2.gz JZWIGRHPNRMKCL-SGMGOOAPSA-N 2 2 293.367 0.305 20 0 CCADLP [NH3+]CC[N@H+]1CC[C@H]2CO[C@H](CNC(=O)c3ccco3)[C@H]2C1 ZINC001235660184 806484547 /nfs/dbraw/zinc/48/45/47/806484547.db2.gz JZWIGRHPNRMKCL-SGMGOOAPSA-N 2 2 293.367 0.305 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([NH3+])C[N@H+](CCC2CC[NH2+]CC2)C1 ZINC001235779084 806502305 /nfs/dbraw/zinc/50/23/05/806502305.db2.gz WTOJNGOYLRXSDJ-CHWSQXEVSA-N 3 2 269.389 0.198 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([NH3+])C[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC001235779084 806502309 /nfs/dbraw/zinc/50/23/09/806502309.db2.gz WTOJNGOYLRXSDJ-CHWSQXEVSA-N 3 2 269.389 0.198 20 0 CCADLP CC1(C)[NH2+][C@@H](CC[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CO1 ZINC001235928569 806519672 /nfs/dbraw/zinc/51/96/72/806519672.db2.gz AMJDKDCMISKNKL-XQQFMLRXSA-N 3 2 253.390 0.642 20 0 CCADLP CC1(C)[NH2+][C@@H](CC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CO1 ZINC001235928569 806519675 /nfs/dbraw/zinc/51/96/75/806519675.db2.gz AMJDKDCMISKNKL-XQQFMLRXSA-N 3 2 253.390 0.642 20 0 CCADLP COc1cccnc1C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235994607 806525826 /nfs/dbraw/zinc/52/58/26/806525826.db2.gz ZAPXKFRFDWBQDB-BVUQATHDSA-N 2 2 263.341 0.496 20 0 CCADLP COc1cccnc1C[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235994607 806525830 /nfs/dbraw/zinc/52/58/30/806525830.db2.gz ZAPXKFRFDWBQDB-BVUQATHDSA-N 2 2 263.341 0.496 20 0 CCADLP COC(=O)[C@@H]1CN(Cc2c[nH+]c3ccc(C)cn23)C[C@H]1[NH3+] ZINC001236341445 806571889 /nfs/dbraw/zinc/57/18/89/806571889.db2.gz ICFZNYSZKRIBNH-CHWSQXEVSA-N 2 2 288.351 0.575 20 0 CCADLP COc1cc(N2CCN(C[C@H](C)[NH3+])CC2)cc[nH+]1 ZINC001236535421 806592922 /nfs/dbraw/zinc/59/29/22/806592922.db2.gz HKGXSQQYXOTPRB-NSHDSACASA-N 2 2 250.346 0.559 20 0 CCADLP C[C@H](CO)C[NH+]1CC2(CCN2CCn2cc[nH+]c2)C1 ZINC001277998198 806602469 /nfs/dbraw/zinc/60/24/69/806602469.db2.gz DQIOHHLPYLATJA-ZDUSSCGKSA-N 2 2 264.373 0.272 20 0 CCADLP C[C@H](CN(C)C(=O)CCc1c[nH+]cn1C)[NH2+]CCCO ZINC001278001551 806605102 /nfs/dbraw/zinc/60/51/02/806605102.db2.gz APRAHZAJLCGKKJ-GFCCVEGCSA-N 2 2 282.388 0.172 20 0 CCADLP CCOC(=O)c1cc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)[nH]n1 ZINC001237030950 806629426 /nfs/dbraw/zinc/62/94/26/806629426.db2.gz RTOPIVRGXKCOGE-NEPJUHHUSA-N 2 2 292.383 0.970 20 0 CCADLP CCOC(=O)c1cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)[nH]n1 ZINC001237030950 806629434 /nfs/dbraw/zinc/62/94/34/806629434.db2.gz RTOPIVRGXKCOGE-NEPJUHHUSA-N 2 2 292.383 0.970 20 0 CCADLP CCOC(=O)c1cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)[nH]n1 ZINC001237030950 806629438 /nfs/dbraw/zinc/62/94/38/806629438.db2.gz RTOPIVRGXKCOGE-NEPJUHHUSA-N 2 2 292.383 0.970 20 0 CCADLP CCOC(=O)c1cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)[nH]n1 ZINC001237030950 806629443 /nfs/dbraw/zinc/62/94/43/806629443.db2.gz RTOPIVRGXKCOGE-NEPJUHHUSA-N 2 2 292.383 0.970 20 0 CCADLP CCOC(=O)[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]2)CCC12C[NH2+]C2 ZINC001237408526 806661557 /nfs/dbraw/zinc/66/15/57/806661557.db2.gz CDISDHGTPZBUAX-STQMWFEESA-N 3 2 281.400 0.213 20 0 CCADLP CCOC(=O)[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]2)CCC12C[NH2+]C2 ZINC001237408526 806661562 /nfs/dbraw/zinc/66/15/62/806661562.db2.gz CDISDHGTPZBUAX-STQMWFEESA-N 3 2 281.400 0.213 20 0 CCADLP Cn1c(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cccc1=O ZINC001237412372 806661723 /nfs/dbraw/zinc/66/17/23/806661723.db2.gz IGGOXSDPSUYQEZ-JSGCOSHPSA-N 2 2 261.369 0.959 20 0 CCADLP Cn1c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)cccc1=O ZINC001237412372 806661726 /nfs/dbraw/zinc/66/17/26/806661726.db2.gz IGGOXSDPSUYQEZ-JSGCOSHPSA-N 2 2 261.369 0.959 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)NCCCc2ccco2)CC1 ZINC001120550771 798862398 /nfs/dbraw/zinc/86/23/98/798862398.db2.gz LASKAZFHKJCUDU-UHFFFAOYSA-N 2 2 294.399 0.935 20 0 CCADLP CCCN(CC)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001120649271 798902594 /nfs/dbraw/zinc/90/25/94/798902594.db2.gz QDWXKQDYEXXGHV-UHFFFAOYSA-N 2 2 256.394 0.851 20 0 CCADLP CCc1n[nH]cc1C[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001237658750 806706955 /nfs/dbraw/zinc/70/69/55/806706955.db2.gz KUOISZBBFZSCPV-UHFFFAOYSA-N 2 2 265.405 0.651 20 0 CCADLP CCc1n[nH]cc1C[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001237658750 806706958 /nfs/dbraw/zinc/70/69/58/806706958.db2.gz KUOISZBBFZSCPV-UHFFFAOYSA-N 2 2 265.405 0.651 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)CCSCCC[NH3+] ZINC001121951929 799106360 /nfs/dbraw/zinc/10/63/60/799106360.db2.gz RTZNHAGYUODZBC-UHFFFAOYSA-N 2 2 289.445 0.249 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCCC[NH2+]1 ZINC001122175300 799162017 /nfs/dbraw/zinc/16/20/17/799162017.db2.gz YRGJARZWMOBCHP-QWHCGFSZSA-N 2 2 269.389 0.356 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2c[nH]ccc2=O)C1 ZINC001237843724 806724460 /nfs/dbraw/zinc/72/44/60/806724460.db2.gz SEJPNVIMRNUSPO-CYBMUJFWSA-N 2 2 292.383 0.017 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2c[nH]ccc2=O)C1 ZINC001237843724 806724463 /nfs/dbraw/zinc/72/44/63/806724463.db2.gz SEJPNVIMRNUSPO-CYBMUJFWSA-N 2 2 292.383 0.017 20 0 CCADLP [NH3+][C@H](C(=O)N[C@@H]1C[C@@H]([NH3+])C1)c1c(F)cccc1F ZINC001122489377 799247888 /nfs/dbraw/zinc/24/78/88/799247888.db2.gz FUFJSLFKABKNJU-HFJPGXAFSA-N 2 2 255.268 0.571 20 0 CCADLP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[C@@H]([NH3+])C(F)F)[C@@H]2C1 ZINC001122572690 799265839 /nfs/dbraw/zinc/26/58/39/799265839.db2.gz BTBPZPZYHSUYRF-JLIMGVALSA-N 2 2 261.316 0.425 20 0 CCADLP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[C@@H]([NH3+])C(F)F)[C@@H]2C1 ZINC001122572690 799265842 /nfs/dbraw/zinc/26/58/42/799265842.db2.gz BTBPZPZYHSUYRF-JLIMGVALSA-N 2 2 261.316 0.425 20 0 CCADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)C[NH2+]1 ZINC001246143273 807166218 /nfs/dbraw/zinc/16/62/18/807166218.db2.gz PQJYKNDHJXEUAP-BJJPWKGXSA-N 3 2 253.390 0.341 20 0 CCADLP CN(C(=O)CCc1[nH+]ccn1C)[C@@H]1CCC[N@@H+](C)C1 ZINC001123699646 799456776 /nfs/dbraw/zinc/45/67/76/799456776.db2.gz SCINVYAISKJOGG-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP CCC[N@H+]1C[C@H]2CN(C(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)C[C@H]2C1 ZINC001161176918 799683173 /nfs/dbraw/zinc/68/31/73/799683173.db2.gz XMAWPIYJWXFTQC-SGPHBRAGSA-N 3 2 292.427 0.008 20 0 CCADLP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)C[C@H]2C1 ZINC001161176918 799683174 /nfs/dbraw/zinc/68/31/74/799683174.db2.gz XMAWPIYJWXFTQC-SGPHBRAGSA-N 3 2 292.427 0.008 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CCC(O)CC2)cc1 ZINC001161185334 799799818 /nfs/dbraw/zinc/79/98/18/799799818.db2.gz RCDLMTBIEPGEKT-ZDUSSCGKSA-N 2 2 263.341 0.242 20 0 CCADLP C[NH+](C)CCCN1CC[NH+](Cc2ccncn2)CC1 ZINC001140348333 799906027 /nfs/dbraw/zinc/90/60/27/799906027.db2.gz ROJHXSACNPWULQ-UHFFFAOYSA-N 2 2 263.389 0.546 20 0 CCADLP CC[NH+]1C[C@@H]2C[NH+](CC3C(=O)N=CNC3=O)C[C@H]2C1 ZINC001140475178 799917065 /nfs/dbraw/zinc/91/70/65/799917065.db2.gz WNFDTAJLKYPACA-NXEZZACHSA-N 2 2 264.329 0.271 20 0 CCADLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc(CO)o1 ZINC001140682844 799929468 /nfs/dbraw/zinc/92/94/68/799929468.db2.gz LQUFOUZQJICUGW-UHFFFAOYSA-N 2 2 267.373 0.451 20 0 CCADLP [NH3+]CC[NH2+]CCNS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC001238838867 806812389 /nfs/dbraw/zinc/81/23/89/806812389.db2.gz NEIJTNVVPUZOGL-UHFFFAOYSA-N 2 2 295.767 0.306 20 0 CCADLP Cc1cccc(Cl)c1S(=O)(=O)NCC[NH2+]CC[NH3+] ZINC001238839896 806812489 /nfs/dbraw/zinc/81/24/89/806812489.db2.gz VKZODNZHHMDFIL-UHFFFAOYSA-N 2 2 291.804 0.475 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1C[N@H+](CCF)CCCO1 ZINC001149982498 800310019 /nfs/dbraw/zinc/31/00/19/800310019.db2.gz JNTPJLYPPOKAEX-ZDUSSCGKSA-N 2 2 298.362 0.368 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1C[N@@H+](CCF)CCCO1 ZINC001149982498 800310028 /nfs/dbraw/zinc/31/00/28/800310028.db2.gz JNTPJLYPPOKAEX-ZDUSSCGKSA-N 2 2 298.362 0.368 20 0 CCADLP CC[N@@H+]1CCCO[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001150663020 800356787 /nfs/dbraw/zinc/35/67/87/800356787.db2.gz DYIFKABLUFJLFS-GFCCVEGCSA-N 2 2 280.372 0.488 20 0 CCADLP CC[N@H+]1CCCO[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001150663020 800356796 /nfs/dbraw/zinc/35/67/96/800356796.db2.gz DYIFKABLUFJLFS-GFCCVEGCSA-N 2 2 280.372 0.488 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2nc(C3CC3)no2)C1 ZINC001151049367 800390382 /nfs/dbraw/zinc/39/03/82/800390382.db2.gz MSEXBQVOENMNDW-LLVKDONJSA-N 2 2 293.371 0.105 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2nc(C3CC3)no2)C1 ZINC001151049367 800390391 /nfs/dbraw/zinc/39/03/91/800390391.db2.gz MSEXBQVOENMNDW-LLVKDONJSA-N 2 2 293.371 0.105 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2C)s1 ZINC001151114008 800401184 /nfs/dbraw/zinc/40/11/84/800401184.db2.gz FJYFDWDIQQVKGW-UHFFFAOYSA-N 2 2 293.396 0.862 20 0 CCADLP Cc1csc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2C)n1 ZINC001151147040 800404278 /nfs/dbraw/zinc/40/42/78/800404278.db2.gz FFZIWQIZVOOEGH-UHFFFAOYSA-N 2 2 293.396 0.862 20 0 CCADLP C[NH+](C)C[C@@H]1COCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001151972425 800475202 /nfs/dbraw/zinc/47/52/02/800475202.db2.gz XSBNQUKCVWNKLA-GFCCVEGCSA-N 2 2 288.351 0.966 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NCC[NH2+]Cc1cccnc1 ZINC001153339722 800623609 /nfs/dbraw/zinc/62/36/09/800623609.db2.gz YUWNTRKLZBQORC-UHFFFAOYSA-N 2 2 287.367 0.964 20 0 CCADLP CO[C@H](C)C[NH2+]CCNC(=O)CCCn1cc[nH+]c1 ZINC001153345452 800624906 /nfs/dbraw/zinc/62/49/06/800624906.db2.gz VXKHNKJJLYPANK-GFCCVEGCSA-N 2 2 268.361 0.404 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]Cc1ccccc1 ZINC001153487578 800634007 /nfs/dbraw/zinc/63/40/07/800634007.db2.gz GBCNBRUODJTZDJ-UHFFFAOYSA-N 2 2 258.325 0.789 20 0 CCADLP CCO[C@H](C[NH2+]CCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001153495834 800634879 /nfs/dbraw/zinc/63/48/79/800634879.db2.gz PIRQVRJKUDOYOC-CYBMUJFWSA-N 2 2 280.372 0.404 20 0 CCADLP C[C@@H](CN1CC[NH2+]CC1)Nc1[nH+]cnc2c1ccn2C ZINC001154747442 800837662 /nfs/dbraw/zinc/83/76/62/800837662.db2.gz IVRAMOHTVNOEQU-NSHDSACASA-N 2 2 274.372 0.674 20 0 CCADLP NC(=O)c1ccc(-n2c[nH+]cc2C2CC[NH2+]CC2)nn1 ZINC001155053805 800899248 /nfs/dbraw/zinc/89/92/48/800899248.db2.gz RXASZOBDQWZRJU-UHFFFAOYSA-N 2 2 272.312 0.228 20 0 CCADLP c1[nH+]cn(-c2ncnc3c2CC[NH2+]CC3)c1C1CC[NH2+]CC1 ZINC001155053023 800899793 /nfs/dbraw/zinc/89/97/93/800899793.db2.gz JNGRGVZHMDWREW-UHFFFAOYSA-N 3 2 298.394 0.818 20 0 CCADLP CC[N@H+](C[C@H](C)O)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155469939 800982484 /nfs/dbraw/zinc/98/24/84/800982484.db2.gz KRZGSWVUKOASJE-MNOVXSKESA-N 2 2 268.361 0.160 20 0 CCADLP CC[N@@H+](C[C@H](C)O)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155469939 800982489 /nfs/dbraw/zinc/98/24/89/800982489.db2.gz KRZGSWVUKOASJE-MNOVXSKESA-N 2 2 268.361 0.160 20 0 CCADLP COCc1cc[nH+]c(NC[C@]23C[NH2+]C[C@H]2COC3)c1 ZINC001155516930 800997385 /nfs/dbraw/zinc/99/73/85/800997385.db2.gz OTNHELPPVMDBFR-JSGCOSHPSA-N 2 2 263.341 0.876 20 0 CCADLP CCN(CC)c1cc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)nc[nH+]1 ZINC001155575172 801012663 /nfs/dbraw/zinc/01/26/63/801012663.db2.gz LDCJKLDJYDTVDW-YGRLFVJLSA-N 2 2 290.371 0.313 20 0 CCADLP CC[N@H+](C[C@H](C)O)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001156617587 801197906 /nfs/dbraw/zinc/19/79/06/801197906.db2.gz QETFDQXHGRYOAW-MNOVXSKESA-N 2 2 282.388 0.468 20 0 CCADLP CC[N@@H+](C[C@H](C)O)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001156617587 801197908 /nfs/dbraw/zinc/19/79/08/801197908.db2.gz QETFDQXHGRYOAW-MNOVXSKESA-N 2 2 282.388 0.468 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H](NC[C@H]2CCCC[NH2+]2)C[NH2+]1 ZINC001246179318 807177523 /nfs/dbraw/zinc/17/75/23/807177523.db2.gz LIQKQIVUHVPACL-UPJWGTAASA-N 2 2 283.416 0.790 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCCC[NH2+]C[C@H]1CCCOC1 ZINC001157257490 801334197 /nfs/dbraw/zinc/33/41/97/801334197.db2.gz ROFUKYBHYNWAIY-CYBMUJFWSA-N 2 2 294.399 0.865 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCCC[NH2+]C[C@H]1CCOC1 ZINC001157264114 801336490 /nfs/dbraw/zinc/33/64/90/801336490.db2.gz DBOFFOYBTKUIIC-GFCCVEGCSA-N 2 2 280.372 0.475 20 0 CCADLP CN(CC(F)(F)F)C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001157519502 801404953 /nfs/dbraw/zinc/40/49/53/801404953.db2.gz WEUMAQIYBXHEKV-QMMMGPOBSA-N 2 2 264.251 0.311 20 0 CCADLP [NH3+]C1(C(=O)N2CCC(=O)[C@H]3CCCC[C@H]32)CC[NH2+]CC1 ZINC001157569341 801424230 /nfs/dbraw/zinc/42/42/30/801424230.db2.gz XMAPEMXLBCSLTG-NWDGAFQWSA-N 2 2 279.384 0.428 20 0 CCADLP C[C@@H]1CCCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001157780941 801482849 /nfs/dbraw/zinc/48/28/49/801482849.db2.gz KEMRLYVQOJXSLG-MBNYWOFBSA-N 2 2 251.374 0.587 20 0 CCADLP C[C@H]1C[C@@H](CF)N(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001157877685 801509310 /nfs/dbraw/zinc/50/93/10/801509310.db2.gz NUJFQOPIFAVBQM-NOHGZBONSA-N 2 2 255.337 0.144 20 0 CCADLP C[N@H+](CCO)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001157881545 801510963 /nfs/dbraw/zinc/51/09/63/801510963.db2.gz YFUSEMIQMRRVID-CYBMUJFWSA-N 2 2 294.399 0.648 20 0 CCADLP C[N@@H+](CCO)C[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001157881545 801510968 /nfs/dbraw/zinc/51/09/68/801510968.db2.gz YFUSEMIQMRRVID-CYBMUJFWSA-N 2 2 294.399 0.648 20 0 CCADLP CCOC(=O)c1cc(NC(=[NH2+])N2CC[NH+](C)CC2)ncn1 ZINC001157914508 801518817 /nfs/dbraw/zinc/51/88/17/801518817.db2.gz GNWKKAFAZVBIGP-UHFFFAOYSA-N 2 2 292.343 0.247 20 0 CCADLP O=C([C@@H]1COCC[NH2+]1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157970086 801543342 /nfs/dbraw/zinc/54/33/42/801543342.db2.gz OVCGPWSITQWSIT-UONOGXRCSA-N 2 2 275.352 0.148 20 0 CCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@]1(CC)CCC[NH2+]C1 ZINC001157999898 801550202 /nfs/dbraw/zinc/55/02/02/801550202.db2.gz VEKDLQJGXCVELP-WFASDCNBSA-N 2 2 297.399 0.130 20 0 CCADLP COC(=O)c1ccnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1C ZINC001158203573 801591836 /nfs/dbraw/zinc/59/18/36/801591836.db2.gz GIDVFWVZDFLPPD-SNVBAGLBSA-N 2 2 290.323 0.224 20 0 CCADLP COc1ccc2ncnc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)c2c1 ZINC001158204216 801592331 /nfs/dbraw/zinc/59/23/31/801592331.db2.gz NLARKPRETUQDKR-SNVBAGLBSA-N 2 2 299.334 0.686 20 0 CCADLP Cc1cnc(Cl)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158206551 801593760 /nfs/dbraw/zinc/59/37/60/801593760.db2.gz VCHWURFWQYEIDN-MRVPVSSYSA-N 2 2 267.720 0.486 20 0 CCADLP CC(C)c1ccnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158206602 801594360 /nfs/dbraw/zinc/59/43/60/801594360.db2.gz VTTUESYLVPTISA-SNVBAGLBSA-N 2 2 261.329 0.648 20 0 CCADLP Cc1[nH]c2c([nH+]1)CCN(C(=O)C[C@H]1COCC[NH2+]1)CC2 ZINC001158348067 801623580 /nfs/dbraw/zinc/62/35/80/801623580.db2.gz PIKQCXQVMSJCSW-NSHDSACASA-N 2 2 278.356 0.024 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNc1ccc(N2CC[NH2+]CC2)cn1 ZINC001158707554 801689519 /nfs/dbraw/zinc/68/95/19/801689519.db2.gz PSWUZMBQRIQUJK-AWEZNQCLSA-N 2 2 291.399 0.234 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNc1ccc(N2CC[NH2+]CC2)cn1 ZINC001158707554 801689523 /nfs/dbraw/zinc/68/95/23/801689523.db2.gz PSWUZMBQRIQUJK-AWEZNQCLSA-N 2 2 291.399 0.234 20 0 CCADLP C[NH2+]Cc1ccc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)cc1 ZINC001160443088 801941233 /nfs/dbraw/zinc/94/12/33/801941233.db2.gz CTHWLSFQVUTAEW-AWEZNQCLSA-N 3 2 287.367 0.648 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001160460951 801944883 /nfs/dbraw/zinc/94/48/83/801944883.db2.gz HQWVYGYPSDPERK-RDBSUJKOSA-N 3 2 280.416 0.010 20 0 CCADLP C[NH2+]CC1CCN(C(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)CC1 ZINC001160459033 801944969 /nfs/dbraw/zinc/94/49/69/801944969.db2.gz FEZQLLHHDPJEFS-OAHLLOKOSA-N 3 2 290.411 0.717 20 0 CCADLP CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C1 ZINC001160476195 801947496 /nfs/dbraw/zinc/94/74/96/801947496.db2.gz CHLGNVXIKHLOAY-TUAOUCFPSA-N 2 2 297.399 0.256 20 0 CCADLP CC(C)N(CC1CC1)C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001160484422 801949376 /nfs/dbraw/zinc/94/93/76/801949376.db2.gz ZGZOLTHYTLUMRR-GFCCVEGCSA-N 2 2 250.346 0.927 20 0 CCADLP CCN(C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C1CCOCC1 ZINC001160490574 801950823 /nfs/dbraw/zinc/95/08/23/801950823.db2.gz BWUNPDSBOPAYHW-LBPRGKRZSA-N 2 2 266.345 0.307 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](c2cccnc2)C1 ZINC001160524628 801961619 /nfs/dbraw/zinc/96/16/19/801961619.db2.gz NUCZVWKIFNYULW-OCCSQVGLSA-N 2 2 285.351 0.691 20 0 CCADLP CN(CCc1cccs1)C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001160531827 801964214 /nfs/dbraw/zinc/96/42/14/801964214.db2.gz ZMOKIJDQAFKORY-BZPMIXESSA-N 2 2 279.409 0.971 20 0 CCADLP [NH3+]C1(C(=O)N2CCC[C@H]2Cc2ccccn2)CC[NH2+]CC1 ZINC001160543829 801966522 /nfs/dbraw/zinc/96/65/22/801966522.db2.gz CUKLHODGRJGJBT-AWEZNQCLSA-N 2 2 288.395 0.696 20 0 CCADLP CCN(CC(=O)OC(C)(C)C)C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160679804 801999006 /nfs/dbraw/zinc/99/90/06/801999006.db2.gz HASZABGMAYVMAN-IAQYHMDHSA-N 2 2 297.399 0.128 20 0 CCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC[C@H]1c1nccs1 ZINC001160685902 801999510 /nfs/dbraw/zinc/99/95/10/801999510.db2.gz IYKHOEZSOMADSN-YFKTTZPYSA-N 2 2 292.408 0.757 20 0 CCADLP CN(C[C@@H]1CCC[NH2+]C1)C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001160697997 802004933 /nfs/dbraw/zinc/00/49/33/802004933.db2.gz DQYRJPPHRRKIKG-DOMZBBRYSA-N 3 2 290.411 0.717 20 0 CCADLP O=C([C@@H]1CC[NH2+]C[C@@H]1F)N1CCC(n2cc[nH+]c2)CC1 ZINC001160727070 802011411 /nfs/dbraw/zinc/01/14/11/802011411.db2.gz YRPWOZDHZNGNTF-OLZOCXBDSA-N 2 2 280.347 0.994 20 0 CCADLP O=C(N1CCC2(C[C@H](F)CO2)CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160789582 802020878 /nfs/dbraw/zinc/02/08/78/802020878.db2.gz XWIZVBZGFBKULF-HUBLWGQQSA-N 2 2 297.374 0.058 20 0 CCADLP [NH3+][C@H](C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)C1CC[NH2+]CC1 ZINC001160848484 802030010 /nfs/dbraw/zinc/03/00/10/802030010.db2.gz GICSWVZKWWFEHJ-AWEZNQCLSA-N 3 2 291.399 0.443 20 0 CCADLP [NH3+][C@H](C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)C1CC[NH2+]CC1 ZINC001160848484 802030014 /nfs/dbraw/zinc/03/00/14/802030014.db2.gz GICSWVZKWWFEHJ-AWEZNQCLSA-N 3 2 291.399 0.443 20 0 CCADLP O=C(NCCC[NH2+]CCO)c1cc2c[nH+]ccc2[nH]1 ZINC001160990074 802058310 /nfs/dbraw/zinc/05/83/10/802058310.db2.gz CWPOMQXMYYDALE-UHFFFAOYSA-N 2 2 262.313 0.265 20 0 CCADLP Nc1ccc(C2CCN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)CC2)cc1 ZINC001161189735 802108149 /nfs/dbraw/zinc/10/81/49/802108149.db2.gz BFESWWRSQCJMAS-CABCVRRESA-N 2 2 288.395 0.664 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccccc1C[NH3+] ZINC001161239297 802114988 /nfs/dbraw/zinc/11/49/88/802114988.db2.gz YOZHILGIOFFVIJ-ZDUSSCGKSA-N 2 2 291.351 0.075 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccccc1C[NH3+] ZINC001161239297 802114992 /nfs/dbraw/zinc/11/49/92/802114992.db2.gz YOZHILGIOFFVIJ-ZDUSSCGKSA-N 2 2 291.351 0.075 20 0 CCADLP CC(C)(C)CN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C1CC[NH2+]CC1 ZINC001161261742 802116480 /nfs/dbraw/zinc/11/64/80/802116480.db2.gz IXZJKXFRKRZOLR-STQMWFEESA-N 3 2 282.432 0.160 20 0 CCADLP CC(C)(C)CN(C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)C1CC[NH2+]CC1 ZINC001161261891 802116992 /nfs/dbraw/zinc/11/69/92/802116992.db2.gz OTEOTTVCOGOJOK-AAEUAGOBSA-N 3 2 282.432 0.302 20 0 CCADLP CCOCC[NH2+]CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001161314839 802124002 /nfs/dbraw/zinc/12/40/02/802124002.db2.gz LBOWYTBWZREQNJ-CYBMUJFWSA-N 2 2 294.399 0.578 20 0 CCADLP c1ccc(N2CC(Nc3cc4c(nn3)CC[NH2+]C4)C2)[nH+]c1 ZINC001161322819 802125578 /nfs/dbraw/zinc/12/55/78/802125578.db2.gz QIRIRSAUKLLTAU-UHFFFAOYSA-N 2 2 282.351 0.818 20 0 CCADLP CCN(C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)[C@H]1CCC[NH2+]C1 ZINC001161345169 802135295 /nfs/dbraw/zinc/13/52/95/802135295.db2.gz ASYZJRUJQSKKIW-LSDHHAIUSA-N 3 2 290.411 0.859 20 0 CCADLP CC(C)N(C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)[C@H]1CC[NH2+]C1 ZINC001161353886 802136406 /nfs/dbraw/zinc/13/64/06/802136406.db2.gz FJKBJIJLORLKJB-GJZGRUSLSA-N 3 2 290.411 0.858 20 0 CCADLP C[C@H]1CN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])[C@@H](c2ccccc2)CO1 ZINC001161372957 802140307 /nfs/dbraw/zinc/14/03/07/802140307.db2.gz NCOMYOQGPZVLFN-CYUUQNCZSA-N 2 2 289.379 0.522 20 0 CCADLP CN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)[C@H]1CCc2ccccc21 ZINC001161542641 802174113 /nfs/dbraw/zinc/17/41/13/802174113.db2.gz IJOOZKSSJKCSDM-XBFCOCLRSA-N 2 2 259.353 0.822 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC1=CC[N@H+](CCCO)CC1 ZINC001161560179 802182195 /nfs/dbraw/zinc/18/21/95/802182195.db2.gz VPVAMKFNDPWUOB-UHFFFAOYSA-N 2 2 292.383 0.473 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC1=CC[N@@H+](CCCO)CC1 ZINC001161560179 802182202 /nfs/dbraw/zinc/18/22/02/802182202.db2.gz VPVAMKFNDPWUOB-UHFFFAOYSA-N 2 2 292.383 0.473 20 0 CCADLP C[NH+](C)CC(=O)N[C@H]1CC[C@H](Nc2cc(N)[nH+]cn2)CC1 ZINC001161667646 802197573 /nfs/dbraw/zinc/19/75/73/802197573.db2.gz FAIVNYPNHJAKNF-XYPYZODXSA-N 2 2 292.387 0.460 20 0 CCADLP O=C(NCCC[NH2+]CCCO)c1cccc2[nH+]ccn21 ZINC001162433291 802339484 /nfs/dbraw/zinc/33/94/84/802339484.db2.gz VOMBMQFTYKKZDH-UHFFFAOYSA-N 2 2 276.340 0.426 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNc2ccc3c(n2)OCC[NH2+]C3)C1 ZINC001162683460 802393270 /nfs/dbraw/zinc/39/32/70/802393270.db2.gz UMAUJQXJXIOGNA-LBPRGKRZSA-N 2 2 278.356 0.306 20 0 CCADLP C[N@H+]1CCO[C@@H](CNc2ccc3c(n2)OCC[NH2+]C3)C1 ZINC001162683460 802393277 /nfs/dbraw/zinc/39/32/77/802393277.db2.gz UMAUJQXJXIOGNA-LBPRGKRZSA-N 2 2 278.356 0.306 20 0 CCADLP C1=C[C@H](Nc2cc(N3CCOCC3)nc[nH+]2)[C@@H]2C[NH2+]C[C@@H]12 ZINC001162789451 802416411 /nfs/dbraw/zinc/41/64/11/802416411.db2.gz FPZPFCYBPCJPMH-UPJWGTAASA-N 2 2 287.367 0.499 20 0 CCADLP C1=C[C@H](Nc2cc(N3CCOCC3)[nH+]cn2)[C@@H]2C[NH2+]C[C@@H]12 ZINC001162789451 802416414 /nfs/dbraw/zinc/41/64/14/802416414.db2.gz FPZPFCYBPCJPMH-UPJWGTAASA-N 2 2 287.367 0.499 20 0 CCADLP C1=C[C@H](Nc2ccc(Cn3cncn3)c[nH+]2)[C@@H]2C[NH2+]C[C@H]12 ZINC001162798803 802420932 /nfs/dbraw/zinc/42/09/32/802420932.db2.gz VKSFRBWLJPLAHV-MJBXVCDLSA-N 2 2 282.351 0.907 20 0 CCADLP CNc1ccc(NCc2nnc3n2CCC[NH2+]C3)c[nH+]1 ZINC001163017297 802460120 /nfs/dbraw/zinc/46/01/20/802460120.db2.gz CZYXJXIKKUNQSS-UHFFFAOYSA-N 2 2 273.344 0.820 20 0 CCADLP CO[C@H](C)C[NH2+]CCCNC(=O)CCc1[nH+]ccn1C ZINC001163044247 802466593 /nfs/dbraw/zinc/46/65/93/802466593.db2.gz QKZJFAOVXUENIO-GFCCVEGCSA-N 2 2 282.388 0.484 20 0 CCADLP COC(=O)Cc1ccc(NC[C@]23C[NH2+]C[C@H]2COC3)[nH+]c1 ZINC001163147881 802494512 /nfs/dbraw/zinc/49/45/12/802494512.db2.gz RFRSUEJLHNYUDD-WFASDCNBSA-N 2 2 291.351 0.445 20 0 CCADLP O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ccc(Cn3cc[nH+]c3)cn2)N1 ZINC001163240682 802513180 /nfs/dbraw/zinc/51/31/80/802513180.db2.gz ZVZJBIRAYFTUJQ-SWLSCSKDSA-N 2 2 298.350 0.316 20 0 CCADLP Fc1c[nH+]ccc1N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163325703 802534118 /nfs/dbraw/zinc/53/41/18/802534118.db2.gz XISKEAIWGRPJDD-ZWNOBZJWSA-N 2 2 251.305 0.966 20 0 CCADLP NC(=O)[C@@H]1CCCN1c1cc(NCC2([NH3+])CCC2)nc[nH+]1 ZINC001163328329 802535311 /nfs/dbraw/zinc/53/53/11/802535311.db2.gz NUJSLBWJQSAMKP-JTQLQIEISA-N 2 2 290.371 0.224 20 0 CCADLP [NH3+]CCN(CCO)c1cc[nH+]c(OC2CCOCC2)c1 ZINC001163835918 802621895 /nfs/dbraw/zinc/62/18/95/802621895.db2.gz ILNDRHWDEKHWRR-UHFFFAOYSA-N 2 2 281.356 0.397 20 0 CCADLP COC(=[NH2+])c1cccc(N(C)S(=O)(=O)CC[NH3+])c1 ZINC001164297014 802711305 /nfs/dbraw/zinc/71/13/05/802711305.db2.gz GYHUKUPIEZVBET-UHFFFAOYSA-N 2 2 271.342 0.383 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Nc2cc(C)c3c(n2)CC[NH2+]C3)C[NH2+]1 ZINC001164300686 802713776 /nfs/dbraw/zinc/71/37/76/802713776.db2.gz VDSDEBPDXMOGFR-GWCFXTLKSA-N 2 2 290.367 0.351 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Nc2cccc(C[NH+](C)C)n2)C[NH2+]1 ZINC001164304960 802714712 /nfs/dbraw/zinc/71/47/12/802714712.db2.gz KAMRKFQYINVGHN-RYUDHWBXSA-N 2 2 278.356 0.459 20 0 CCADLP COCCC[NH+]1CCN(c2ncnc3c2C[NH2+]C3)CC1 ZINC001165097996 802781913 /nfs/dbraw/zinc/78/19/13/802781913.db2.gz QPOSLDOPSGZDJA-UHFFFAOYSA-N 2 2 277.372 0.238 20 0 CCADLP Nc1cc(Cl)[nH+]c(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)c1 ZINC001165270003 802808351 /nfs/dbraw/zinc/80/83/51/802808351.db2.gz ULNDBZNPOWMKRB-UWVGGRQHSA-N 2 2 268.748 0.884 20 0 CCADLP COC(=O)c1nccnc1-n1c(C)[nH+]c2c1CC[NH2+]CC2 ZINC001165352516 802825842 /nfs/dbraw/zinc/82/58/42/802825842.db2.gz XDWCADUWBFSUOM-UHFFFAOYSA-N 2 2 287.323 0.446 20 0 CCADLP CCc1nc(C[NH2+]CCCNC(=O)CCC[NH+](C)C)no1 ZINC001165367107 802828718 /nfs/dbraw/zinc/82/87/18/802828718.db2.gz LVNQPCJZSBIICL-UHFFFAOYSA-N 2 2 297.403 0.570 20 0 CCADLP Cc1c[nH+]c(N2CCO[C@@H](C[NH3+])C2)nc1NCC1CC1 ZINC001166938260 802986054 /nfs/dbraw/zinc/98/60/54/802986054.db2.gz VUVARAZGSPEOKI-LBPRGKRZSA-N 2 2 277.372 0.771 20 0 CCADLP CCc1cc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)on1 ZINC001203231898 803024548 /nfs/dbraw/zinc/02/45/48/803024548.db2.gz MCBMYJCQYZJHOJ-CYBMUJFWSA-N 2 2 294.399 0.879 20 0 CCADLP CCc1cc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)on1 ZINC001203231898 803024556 /nfs/dbraw/zinc/02/45/56/803024556.db2.gz MCBMYJCQYZJHOJ-CYBMUJFWSA-N 2 2 294.399 0.879 20 0 CCADLP COC[C@@H](C)[NH2+]C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001203494021 803030922 /nfs/dbraw/zinc/03/09/22/803030922.db2.gz IXJZIEHPXUTFKW-LLVKDONJSA-N 2 2 294.399 0.876 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC001204078215 803062096 /nfs/dbraw/zinc/06/20/96/803062096.db2.gz SATTYWCOEAVGKI-CQSZACIVSA-N 2 2 276.384 0.724 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC001204078215 803062104 /nfs/dbraw/zinc/06/21/04/803062104.db2.gz SATTYWCOEAVGKI-CQSZACIVSA-N 2 2 276.384 0.724 20 0 CCADLP CC(C)[NH+]1CC([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001276440556 803063844 /nfs/dbraw/zinc/06/38/44/803063844.db2.gz YRJXUUWEMCQVDQ-JTQLQIEISA-N 2 2 250.346 0.797 20 0 CCADLP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cn3c(n2)C[NH2+]CC3)CC1 ZINC001205558957 803148247 /nfs/dbraw/zinc/14/82/47/803148247.db2.gz MCZUFEOWELGIRS-AWEZNQCLSA-N 3 2 281.379 0.639 20 0 CCADLP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cn3c(n2)C[NH2+]CC3)CC1 ZINC001205558957 803148251 /nfs/dbraw/zinc/14/82/51/803148251.db2.gz MCZUFEOWELGIRS-AWEZNQCLSA-N 3 2 281.379 0.639 20 0 CCADLP Cc1ncc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)cn1 ZINC001205665528 803153576 /nfs/dbraw/zinc/15/35/76/803153576.db2.gz SPGWXFGZLXGCQW-CYBMUJFWSA-N 2 2 250.346 0.461 20 0 CCADLP Cc1ncc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)cn1 ZINC001205665528 803153578 /nfs/dbraw/zinc/15/35/78/803153578.db2.gz SPGWXFGZLXGCQW-CYBMUJFWSA-N 2 2 250.346 0.461 20 0 CCADLP COc1ccncc1C[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205682336 803154241 /nfs/dbraw/zinc/15/42/41/803154241.db2.gz SBIAHZYCORKQOG-CQSZACIVSA-N 2 2 265.357 0.766 20 0 CCADLP COc1ccncc1C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205682336 803154245 /nfs/dbraw/zinc/15/42/45/803154245.db2.gz SBIAHZYCORKQOG-CQSZACIVSA-N 2 2 265.357 0.766 20 0 CCADLP CN(C)c1ccc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)c(F)n1 ZINC001205688043 803156144 /nfs/dbraw/zinc/15/61/44/803156144.db2.gz DBAFPAMPAOSHBC-HNNXBMFYSA-N 2 2 296.390 0.962 20 0 CCADLP CN(C)c1ccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c(F)n1 ZINC001205688043 803156150 /nfs/dbraw/zinc/15/61/50/803156150.db2.gz DBAFPAMPAOSHBC-HNNXBMFYSA-N 2 2 296.390 0.962 20 0 CCADLP COc1ccoc1C[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205725470 803165908 /nfs/dbraw/zinc/16/59/08/803165908.db2.gz IBAWHMMMZFJJMX-CYBMUJFWSA-N 2 2 254.330 0.964 20 0 CCADLP COc1ccoc1C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205725470 803165911 /nfs/dbraw/zinc/16/59/11/803165911.db2.gz IBAWHMMMZFJJMX-CYBMUJFWSA-N 2 2 254.330 0.964 20 0 CCADLP [NH3+][C@H]1CC[N@H+](CC2C(=O)N=CNC2=O)CC[C@@H]1F ZINC001206176344 803212431 /nfs/dbraw/zinc/21/24/31/803212431.db2.gz ZFVWJMDBZNPYCI-IUCAKERBSA-N 2 2 256.281 0.149 20 0 CCADLP [NH3+][C@H]1CC[N@@H+](CC2C(=O)N=CNC2=O)CC[C@@H]1F ZINC001206176344 803212437 /nfs/dbraw/zinc/21/24/37/803212437.db2.gz ZFVWJMDBZNPYCI-IUCAKERBSA-N 2 2 256.281 0.149 20 0 CCADLP [NH3+]C[C@]1(F)CCCCN(CC2=CS[C@@H]([NH3+])N2)C1 ZINC001206334943 803231108 /nfs/dbraw/zinc/23/11/08/803231108.db2.gz BAUVMQFIUWZFAT-WDEREUQCSA-N 2 2 260.382 0.559 20 0 CCADLP Cn1nccc1C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001206375308 803235809 /nfs/dbraw/zinc/23/58/09/803235809.db2.gz ZLMUSSPZOKWNOC-GFCCVEGCSA-N 2 2 279.388 0.062 20 0 CCADLP Cn1nccc1C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001206375308 803235812 /nfs/dbraw/zinc/23/58/12/803235812.db2.gz ZLMUSSPZOKWNOC-GFCCVEGCSA-N 2 2 279.388 0.062 20 0 CCADLP CCOc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1F ZINC001206490427 803253015 /nfs/dbraw/zinc/25/30/15/803253015.db2.gz BTKOISKMHBQDIK-WCQYABFASA-N 2 2 268.332 0.976 20 0 CCADLP CCOc1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1F ZINC001206490427 803253019 /nfs/dbraw/zinc/25/30/19/803253019.db2.gz BTKOISKMHBQDIK-WCQYABFASA-N 2 2 268.332 0.976 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C[NH2+]CCO)CC1 ZINC001206533560 803263111 /nfs/dbraw/zinc/26/31/11/803263111.db2.gz OVRBWUOEKXTJSG-GFCCVEGCSA-N 2 2 294.399 0.409 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C[NH2+]CCO)CC1 ZINC001206533560 803263114 /nfs/dbraw/zinc/26/31/14/803263114.db2.gz OVRBWUOEKXTJSG-GFCCVEGCSA-N 2 2 294.399 0.409 20 0 CCADLP C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3cnccn3)CC2)C1 ZINC001208604338 803526493 /nfs/dbraw/zinc/52/64/93/803526493.db2.gz MCLHIJVIXRJXGJ-AWEZNQCLSA-N 2 2 275.400 0.940 20 0 CCADLP C[N@H+]1CCC[C@H](C[NH+]2CCN(c3cnccn3)CC2)C1 ZINC001208604338 803526495 /nfs/dbraw/zinc/52/64/95/803526495.db2.gz MCLHIJVIXRJXGJ-AWEZNQCLSA-N 2 2 275.400 0.940 20 0 CCADLP O=C(N[C@H](C[NH2+]CCF)C1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001276610565 803568599 /nfs/dbraw/zinc/56/85/99/803568599.db2.gz CCEUVGKRBAFQMJ-CHWSQXEVSA-N 2 2 294.374 0.899 20 0 CCADLP CC(C)(O)CC[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001209293829 803589339 /nfs/dbraw/zinc/58/93/39/803589339.db2.gz QXAWKCIJINXUFM-UHFFFAOYSA-N 2 2 285.432 0.097 20 0 CCADLP CN1CCO[C@H]2C[N@H+](CC(C)(C)C[NH+](C)C)C[C@@H]21 ZINC001276657961 803617041 /nfs/dbraw/zinc/61/70/41/803617041.db2.gz DOTXXOHHUPDGHT-STQMWFEESA-N 2 2 255.406 0.589 20 0 CCADLP CN1CCO[C@H]2C[N@@H+](CC(C)(C)C[NH+](C)C)C[C@@H]21 ZINC001276657961 803617044 /nfs/dbraw/zinc/61/70/44/803617044.db2.gz DOTXXOHHUPDGHT-STQMWFEESA-N 2 2 255.406 0.589 20 0 CCADLP C(C[NH+]1CCOCC1)O[C@H]1CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001210225510 803642388 /nfs/dbraw/zinc/64/23/88/803642388.db2.gz UGFIZPWGICGTGK-IYBDPMFKSA-N 2 2 298.427 0.979 20 0 CCADLP COCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001210606019 803655575 /nfs/dbraw/zinc/65/55/75/803655575.db2.gz WANCAOJEYLWVLF-BXUZGUMPSA-N 2 2 294.399 0.734 20 0 CCADLP COCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001210606019 803655579 /nfs/dbraw/zinc/65/55/79/803655579.db2.gz WANCAOJEYLWVLF-BXUZGUMPSA-N 2 2 294.399 0.734 20 0 CCADLP [NH3+]C[C@@H](O)c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001211414163 803681203 /nfs/dbraw/zinc/68/12/03/803681203.db2.gz KZRXMCKZMFLKMF-LLVKDONJSA-N 2 2 271.280 0.914 20 0 CCADLP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001214814229 803759884 /nfs/dbraw/zinc/75/98/84/803759884.db2.gz MAVDFVIVHOMEIF-MBNYWOFBSA-N 2 2 294.399 0.814 20 0 CCADLP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001214814229 803759891 /nfs/dbraw/zinc/75/98/91/803759891.db2.gz MAVDFVIVHOMEIF-MBNYWOFBSA-N 2 2 294.399 0.814 20 0 CCADLP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215685405 803822760 /nfs/dbraw/zinc/82/27/60/803822760.db2.gz QIVWXOOXGWACEB-NTZNESFSSA-N 2 2 280.372 0.424 20 0 CCADLP C[N@@H+]1CCN(S(=O)(=O)C2C[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000405117022 803863113 /nfs/dbraw/zinc/86/31/13/803863113.db2.gz XPLPFOSDBAHEIO-CQSZACIVSA-N 2 2 295.408 0.277 20 0 CCADLP C[N@H+]1CCN(S(=O)(=O)C2C[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000405117022 803863123 /nfs/dbraw/zinc/86/31/23/803863123.db2.gz XPLPFOSDBAHEIO-CQSZACIVSA-N 2 2 295.408 0.277 20 0 CCADLP Cc1c(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)cnn1C ZINC001218503314 803970048 /nfs/dbraw/zinc/97/00/48/803970048.db2.gz AKXNYDMUBDNKCO-GFCCVEGCSA-N 2 2 273.340 0.939 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1noc2cccnc21 ZINC001218504785 803972400 /nfs/dbraw/zinc/97/24/00/803972400.db2.gz XVCMKAZXCAUVJI-UHFFFAOYSA-N 2 2 275.312 0.503 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1nnc(C(C)(C)C)o1 ZINC001218507759 803972843 /nfs/dbraw/zinc/97/28/43/803972843.db2.gz HXJPXHVTMCPJBE-VIFPVBQESA-N 2 2 292.343 0.609 20 0 CCADLP Cc1nc2sccc2c(NC(=O)[C@@H]([NH3+])CC[NH3+])n1 ZINC001218516685 803980917 /nfs/dbraw/zinc/98/09/17/803980917.db2.gz CYVHVKUIQDEZNQ-QMMMGPOBSA-N 2 2 265.342 0.614 20 0 CCADLP CC(C)(C)Cc1cc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)on1 ZINC001218521247 803983853 /nfs/dbraw/zinc/98/38/53/803983853.db2.gz ZOQPBDLRGXJNDX-SCZZXKLOSA-N 2 2 266.345 0.891 20 0 CCADLP N=c1c(N)c(Cl)ccn1C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218567118 804011083 /nfs/dbraw/zinc/01/10/83/804011083.db2.gz NKKACXFZXRUIFX-MRVPVSSYSA-N 2 2 280.719 0.136 20 0 CCADLP Cc1cc(C)c(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)cn1 ZINC001218594086 804025642 /nfs/dbraw/zinc/02/56/42/804025642.db2.gz SXDJDCIJJHOSOC-LBPRGKRZSA-N 2 2 273.340 0.940 20 0 CCADLP Cc1[nH]nc2ncc(NC(=O)[C@@H]([NH3+])Cc3c[nH+]cn3C)cc12 ZINC001218616174 804034577 /nfs/dbraw/zinc/03/45/77/804034577.db2.gz ZSHXQOVXARKUQT-LBPRGKRZSA-N 2 2 299.338 0.508 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc[nH]c1=S ZINC001218620623 804037292 /nfs/dbraw/zinc/03/72/92/804037292.db2.gz BZVAZLOXYUFKBT-MRVPVSSYSA-N 2 2 263.326 0.602 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1ccnc2c1CCC2 ZINC001218620178 804037893 /nfs/dbraw/zinc/03/78/93/804037893.db2.gz IOCBOXNSGDRBRD-UHFFFAOYSA-N 2 2 274.368 0.272 20 0 CCADLP COc1nc(Cl)ncc1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218634822 804049281 /nfs/dbraw/zinc/04/92/81/804049281.db2.gz NTLLOEBUOIZQRM-UHFFFAOYSA-N 2 2 285.735 0.158 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1nsc2ncccc12 ZINC001218651418 804060215 /nfs/dbraw/zinc/06/02/15/804060215.db2.gz KDXWOFQQZHKOEC-SECBINFHSA-N 2 2 288.336 0.923 20 0 CCADLP Cc1c[nH]c(=O)cc1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218651025 804060674 /nfs/dbraw/zinc/06/06/74/804060674.db2.gz BQAROSPCUPFVFK-UHFFFAOYSA-N 2 2 250.302 0.115 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1c(Cl)cnnc1Cl ZINC001218653002 804063017 /nfs/dbraw/zinc/06/30/17/804063017.db2.gz QXHWXURRJGHOFO-NJGYIYPDSA-N 2 2 276.127 0.269 20 0 CCADLP O=C(Nc1cc([C@@H]2CCC[NH2+]2)no1)C1(F)C[NH2+]C1 ZINC001218710308 804092866 /nfs/dbraw/zinc/09/28/66/804092866.db2.gz HKVLFIXEKYLPPA-ZETCQYMHSA-N 2 2 254.265 0.349 20 0 CCADLP Cc1cc(=O)c(N)c(C)n1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218717391 804094950 /nfs/dbraw/zinc/09/49/50/804094950.db2.gz DRAHRWBYTJZLGQ-UHFFFAOYSA-N 2 2 278.356 0.029 20 0 CCADLP Cc1cnn(-c2ccccn2)c1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218740875 804101620 /nfs/dbraw/zinc/10/16/20/804101620.db2.gz GZVFAULXVQXUFR-JTQLQIEISA-N 2 2 274.328 0.190 20 0 CCADLP CCN=c1ccc(N)cn1C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001218741245 804103555 /nfs/dbraw/zinc/10/35/55/804103555.db2.gz JFXXOIBWRZOHER-AWEZNQCLSA-N 2 2 299.378 0.638 20 0 CCADLP COc1cccc2ncnc(NC(=O)[C@@H]([NH3+])CC[NH3+])c21 ZINC001218790885 804120553 /nfs/dbraw/zinc/12/05/53/804120553.db2.gz XKQKWBZSVXTQLL-QMMMGPOBSA-N 2 2 275.312 0.253 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(C(F)F)cn1 ZINC001218793466 804122363 /nfs/dbraw/zinc/12/23/63/804122363.db2.gz GZPBVKQXZNQWRP-YUMQZZPRSA-N 2 2 256.256 0.504 20 0 CCADLP CN(C)c1ccccc1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218834928 804136758 /nfs/dbraw/zinc/13/67/58/804136758.db2.gz NPZSSZMMDXYKEV-LLVKDONJSA-N 2 2 273.340 0.984 20 0 CCADLP Cc1cc(NC(=O)[C@@H]([NH3+])CC[NH3+])ccc1N1CCOCC1 ZINC001218872948 804143488 /nfs/dbraw/zinc/14/34/88/804143488.db2.gz DIEKZOVUZCFGEQ-ZDUSSCGKSA-N 2 2 292.383 0.446 20 0 CCADLP Cc1cccc(N)c1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218912166 804154622 /nfs/dbraw/zinc/15/46/22/804154622.db2.gz HGIJAOFQJOKRSD-GYSYKLTISA-N 2 2 260.341 0.738 20 0 CCADLP Nc1ccc(NC(=O)C[NH2+]C2CC[NH2+]CC2)c(CCO)c1 ZINC001218917896 804156287 /nfs/dbraw/zinc/15/62/87/804156287.db2.gz BMOKPFLZYUTBIQ-UHFFFAOYSA-N 2 2 292.383 0.084 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cccc3[nH]c(=O)ccc23)C1 ZINC001218969507 804169032 /nfs/dbraw/zinc/16/90/32/804169032.db2.gz HEZDIOFVAKSDRW-PELKAZGASA-N 2 2 272.308 0.568 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001218999458 804180376 /nfs/dbraw/zinc/18/03/76/804180376.db2.gz UDXFPYIJLVOTTF-UBHSHLNASA-N 3 2 274.368 0.249 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001218996333 804180800 /nfs/dbraw/zinc/18/08/00/804180800.db2.gz XHOQPPSZIMKBSB-SWLSCSKDSA-N 3 2 299.378 0.995 20 0 CCADLP CC(=O)Oc1ccc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)cc1 ZINC001219101562 804198260 /nfs/dbraw/zinc/19/82/60/804198260.db2.gz LDRBAFJYQDWREN-CYBMUJFWSA-N 2 2 288.307 0.844 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1ccc2oc(=O)[nH]c2c1 ZINC001219152389 804219770 /nfs/dbraw/zinc/21/97/70/804219770.db2.gz WTWGVUSKYGEBTA-UHFFFAOYSA-N 2 2 290.323 0.814 20 0 CCADLP O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2)C1(F)C[NH2+]C1 ZINC001219538189 804341736 /nfs/dbraw/zinc/34/17/36/804341736.db2.gz WERHOSOONUATST-LDYMZIIASA-N 2 2 277.299 0.384 20 0 CCADLP O=C(NCCn1cc[nH+]c1)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001219563684 804352352 /nfs/dbraw/zinc/35/23/52/804352352.db2.gz HUPINJANIMFLLO-KGLIPLIRSA-N 2 2 291.399 0.073 20 0 CCADLP CC(C)C[C@@](C)([NH3+])C(=O)NCCc1cn(C)c[nH+]1 ZINC001219633878 804384137 /nfs/dbraw/zinc/38/41/37/804384137.db2.gz HJBNJCKQIMEVLL-CYBMUJFWSA-N 2 2 252.362 0.842 20 0 CCADLP C[C@H](NC(=O)C1([NH3+])CC[NH2+]CC1)c1nc2ccccc2[nH]1 ZINC001219701363 804409755 /nfs/dbraw/zinc/40/97/55/804409755.db2.gz MGTLFBPXKGFGHF-JTQLQIEISA-N 2 2 287.367 0.821 20 0 CCADLP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@@H]1C[NH2+]CC(F)(F)C1 ZINC001219773642 804419927 /nfs/dbraw/zinc/41/99/27/804419927.db2.gz WWVMMPVCAFAHIU-JTQLQIEISA-N 2 2 287.354 0.880 20 0 CCADLP [NH3+][C@H](C(=O)NCc1noc2c1C[NH2+]CC2)c1ccsc1 ZINC001219810019 804428385 /nfs/dbraw/zinc/42/83/85/804428385.db2.gz ZPRSHCOHKQHMAY-LBPRGKRZSA-N 2 2 292.364 0.698 20 0 CCADLP [NH3+]C1(C(=O)N[C@@H]2C[NH2+]Cc3ccsc32)CC[NH2+]CC1 ZINC001219825017 804429042 /nfs/dbraw/zinc/42/90/42/804429042.db2.gz BCVILTQOXCRYHW-SNVBAGLBSA-N 3 2 280.397 0.090 20 0 CCADLP COc1ccc(CCNC(=O)C2([NH3+])CC[NH2+]CC2)cc1O ZINC001219910085 804445391 /nfs/dbraw/zinc/44/53/91/804445391.db2.gz MVFXCHLQWXMSDL-UHFFFAOYSA-N 2 2 293.367 0.140 20 0 CCADLP Cc1c[nH]c(CCNC(=O)C[C@@H]([NH3+])COC(C)(C)C)[nH+]1 ZINC001219951887 804456891 /nfs/dbraw/zinc/45/68/91/804456891.db2.gz GCYHIXITTZHGJV-LLVKDONJSA-N 2 2 282.388 0.909 20 0 CCADLP CNc1ccc(CNC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)cc1 ZINC001219954306 804458056 /nfs/dbraw/zinc/45/80/56/804458056.db2.gz GBITWECKLHNIMZ-CYBMUJFWSA-N 2 2 273.340 0.638 20 0 CCADLP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220062097 804490358 /nfs/dbraw/zinc/49/03/58/804490358.db2.gz MAFQKQYTZSMCHQ-CBBWQLFWSA-N 3 2 294.443 0.317 20 0 CCADLP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220062097 804490362 /nfs/dbraw/zinc/49/03/62/804490362.db2.gz MAFQKQYTZSMCHQ-CBBWQLFWSA-N 3 2 294.443 0.317 20 0 CCADLP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)NC1C[NH+](C(C)C)C1 ZINC001220159914 804521978 /nfs/dbraw/zinc/52/19/78/804521978.db2.gz SDQCJTQNJBRTBP-LBPRGKRZSA-N 2 2 299.415 0.515 20 0 CCADLP Cc1ncc(CNC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)cn1 ZINC001220177645 804527574 /nfs/dbraw/zinc/52/75/74/804527574.db2.gz SEEFRWXMPSNFMB-AWEZNQCLSA-N 2 2 285.351 0.674 20 0 CCADLP [NH3+][C@@H](CC1CCC1)C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001220197563 804534278 /nfs/dbraw/zinc/53/42/78/804534278.db2.gz JRDBDTVDQOMDQH-ZDUSSCGKSA-N 2 2 281.400 0.485 20 0 CCADLP Cc1ccc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)c(F)c1F ZINC001220210139 804537607 /nfs/dbraw/zinc/53/76/07/804537607.db2.gz SDFVVLRWKSBEJN-XHDPSFHLSA-N 2 2 295.333 0.841 20 0 CCADLP Cc1ccc(CNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)c(F)c1F ZINC001220210138 804537639 /nfs/dbraw/zinc/53/76/39/804537639.db2.gz SDFVVLRWKSBEJN-NHYWBVRUSA-N 2 2 295.333 0.841 20 0 CCADLP O=C(N[C@@H]1CCCc2cccnc21)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220226481 804542095 /nfs/dbraw/zinc/54/20/95/804542095.db2.gz SYASKEUKPYSTAG-ZENOOKHLSA-N 2 2 286.379 0.527 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@@H]1CCCC(F)(F)C1 ZINC001220308873 804570345 /nfs/dbraw/zinc/57/03/45/804570345.db2.gz QMMUVDZWQYIVSK-KOLCDFICSA-N 2 2 286.326 0.984 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NCC2([NH3+])CCCC2)cc1 ZINC001220499298 804617110 /nfs/dbraw/zinc/61/71/10/804617110.db2.gz WEHHZMIGZZZTNQ-CYBMUJFWSA-N 3 2 276.384 0.646 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCc1cccc2ccnn21 ZINC001220552986 804622752 /nfs/dbraw/zinc/62/27/52/804622752.db2.gz BMDRUMNWGIKTHI-AWEZNQCLSA-N 2 2 298.350 0.254 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1(c2cccnc2)CC1 ZINC001220560472 804623949 /nfs/dbraw/zinc/62/39/49/804623949.db2.gz JCYXZNSWLBHCPU-LBPRGKRZSA-N 2 2 271.324 0.480 20 0 CCADLP O=C(NC1(c2cccnc2)CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220561045 804624618 /nfs/dbraw/zinc/62/46/18/804624618.db2.gz SWHUTKOQTMZPRT-WFASDCNBSA-N 2 2 272.352 0.138 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1cccc2cc[nH]c21 ZINC001220714784 804654573 /nfs/dbraw/zinc/65/45/73/804654573.db2.gz ZDKKUOVQMPMALU-RYUDHWBXSA-N 2 2 258.325 0.331 20 0 CCADLP CC[C@H](COC)NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220866363 804683528 /nfs/dbraw/zinc/68/35/28/804683528.db2.gz WGMJIDKIEZQGAI-OLZOCXBDSA-N 2 2 265.357 0.800 20 0 CCADLP O=C(NCCc1c[nH]c2cc[nH+]cc12)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220866385 804683947 /nfs/dbraw/zinc/68/39/47/804683947.db2.gz XHEMJVQJSCNESH-MLGOLLRUSA-N 3 2 299.378 0.173 20 0 CCADLP COC(=O)[C@@H]([NH3+])CC(=O)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001220972910 804710787 /nfs/dbraw/zinc/71/07/87/804710787.db2.gz NOHJUAINJZCCFK-LBPRGKRZSA-N 2 2 297.399 0.387 20 0 CCADLP CC(C)CC1(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CCOCC1 ZINC001221001491 804715750 /nfs/dbraw/zinc/71/57/50/804715750.db2.gz WUJLPQOWZGZBEW-CYBMUJFWSA-N 2 2 294.399 0.991 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2ccc(-c3ncccn3)cc2)C1 ZINC001221082013 804728058 /nfs/dbraw/zinc/72/80/58/804728058.db2.gz CTLLBTKIRBUYMS-KGLIPLIRSA-N 2 2 297.362 0.449 20 0 CCADLP CC(C)CN(C(=O)C1([NH3+])CC[NH2+]CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221188107 804742482 /nfs/dbraw/zinc/74/24/82/804742482.db2.gz ODERFPYHWMGLJZ-HDJSIYSDSA-N 3 2 296.459 0.822 20 0 CCADLP c1nc(N2CC[NH2+]CC2)ncc1-c1c[nH+]c2c(c1)CCCN2 ZINC001241899867 806984903 /nfs/dbraw/zinc/98/49/03/806984903.db2.gz OTKWSFCAPNWQTQ-UHFFFAOYSA-N 2 2 296.378 0.949 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N[C@@H]2CCC[N@H+](C)C2)c1 ZINC001221293212 804769787 /nfs/dbraw/zinc/76/97/87/804769787.db2.gz BJAPGKMPAXMJBL-GFCCVEGCSA-N 2 2 265.361 0.356 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N[C@@H]2CCC[N@@H+](C)C2)c1 ZINC001221293212 804769793 /nfs/dbraw/zinc/76/97/93/804769793.db2.gz BJAPGKMPAXMJBL-GFCCVEGCSA-N 2 2 265.361 0.356 20 0 CCADLP Cn1ncc2c1cccc2CNC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001221303790 804771366 /nfs/dbraw/zinc/77/13/66/804771366.db2.gz QAMRJNJMVZXFOF-CYBMUJFWSA-N 2 2 298.350 0.483 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)cc1 ZINC001221338749 804781374 /nfs/dbraw/zinc/78/13/74/804781374.db2.gz BQNTXKSVIIJGPA-QNWHQSFQSA-N 2 2 261.325 0.020 20 0 CCADLP C[NH+](C)CC1CCC(NC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001221402271 804803652 /nfs/dbraw/zinc/80/36/52/804803652.db2.gz BRBDWGQBVQARKB-NQKKVCCDSA-N 3 2 294.443 0.175 20 0 CCADLP c1c(CN2CC[NH2+]C3(CC[NH2+]CC3)C2)nc2cnccn12 ZINC001222091325 804866202 /nfs/dbraw/zinc/86/62/02/804866202.db2.gz QMVJBSQFKBAMGW-UHFFFAOYSA-N 2 2 286.383 0.257 20 0 CCADLP O=c1[nH]cc(C[N@@H+]2CCC[C@]23CCC[NH2+]C3)c(=O)[nH]1 ZINC001222247027 804886724 /nfs/dbraw/zinc/88/67/24/804886724.db2.gz ARESWZSTBHZFCY-ZDUSSCGKSA-N 2 2 264.329 0.606 20 0 CCADLP O=c1[nH]cc(C[N@H+]2CCC[C@]23CCC[NH2+]C3)c(=O)[nH]1 ZINC001222247027 804886729 /nfs/dbraw/zinc/88/67/29/804886729.db2.gz ARESWZSTBHZFCY-ZDUSSCGKSA-N 2 2 264.329 0.606 20 0 CCADLP C(c1n[nH]c2c1CCC2)N1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222506753 804909905 /nfs/dbraw/zinc/90/99/05/804909905.db2.gz DQIGHLWUNLYLRN-ZFWWWQNUSA-N 2 2 275.400 0.424 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1CC[NH+](CCO)CC1 ZINC001224787685 805075693 /nfs/dbraw/zinc/07/56/93/805075693.db2.gz IFRSXMOPXMVXHQ-GFCCVEGCSA-N 2 2 294.399 0.409 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1CC[NH+](CCO)CC1 ZINC001224787685 805075701 /nfs/dbraw/zinc/07/57/01/805075701.db2.gz IFRSXMOPXMVXHQ-GFCCVEGCSA-N 2 2 294.399 0.409 20 0 CCADLP C[NH+]1CCN(c2nccc(C3=C[NH2+]CCC3)n2)CC1 ZINC001243949790 807048752 /nfs/dbraw/zinc/04/87/52/807048752.db2.gz YMTSZOWPEXBKDP-UHFFFAOYSA-N 2 2 259.357 0.953 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1CCO ZINC001088679441 815056663 /nfs/dbraw/zinc/05/66/63/815056663.db2.gz PWPQBNCUGJHCJO-AGIUHOORSA-N 2 2 292.383 0.017 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC[N@H+]1CCO ZINC001088679441 815056667 /nfs/dbraw/zinc/05/66/67/815056667.db2.gz PWPQBNCUGJHCJO-AGIUHOORSA-N 2 2 292.383 0.017 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1CC[NH+](CCCO)CC1 ZINC001225675616 805150256 /nfs/dbraw/zinc/15/02/56/805150256.db2.gz AXFWFDAVNCVYPP-UHFFFAOYSA-N 2 2 280.372 0.094 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NC1CC[NH+](CCCO)CC1 ZINC001228407898 805443338 /nfs/dbraw/zinc/44/33/38/805443338.db2.gz JMEAZLXRXOKSNJ-UHFFFAOYSA-N 2 2 294.399 0.316 20 0 CCADLP COC[C@@H](C)[NH+]1CCC(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001228516998 805454192 /nfs/dbraw/zinc/45/41/92/805454192.db2.gz UXZZDUGFLQLBJZ-CYBMUJFWSA-N 2 2 294.399 0.889 20 0 CCADLP CCOCC[NH+]1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001229740252 805554581 /nfs/dbraw/zinc/55/45/81/805554581.db2.gz HLMCZEKQHLYTLP-UHFFFAOYSA-N 2 2 280.372 0.569 20 0 CCADLP OC1C[NH+](Cc2ccc(-c3ncnc4c3CC[NH2+]C4)cc2)C1 ZINC001243636948 807039721 /nfs/dbraw/zinc/03/97/21/807039721.db2.gz LNZLJKNWFNTZQE-UHFFFAOYSA-N 2 2 296.374 0.966 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@H]1C[NH2+]CC[C@@H]1C ZINC001245986846 807108463 /nfs/dbraw/zinc/10/84/63/807108463.db2.gz ZXXRTZYGDSTEOR-BFHYXJOUSA-N 3 2 257.422 0.524 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCF)CN1C(=O)CCc1c[nH+]cn1C ZINC000989736369 815091973 /nfs/dbraw/zinc/09/19/73/815091973.db2.gz NVZFCTDFIHSKMO-NWDGAFQWSA-N 2 2 282.363 0.901 20 0 CCADLP [NH3+][C@]12CC[C@@H]1C[N@H+](C[C@@H](O)COCc1ccco1)C2 ZINC001246045982 807131879 /nfs/dbraw/zinc/13/18/79/807131879.db2.gz MFKUPBNTNZFTRJ-BZPMIXESSA-N 2 2 266.341 0.580 20 0 CCADLP [NH3+][C@]12CC[C@@H]1C[N@@H+](C[C@@H](O)COCc1ccco1)C2 ZINC001246045982 807131885 /nfs/dbraw/zinc/13/18/85/807131885.db2.gz MFKUPBNTNZFTRJ-BZPMIXESSA-N 2 2 266.341 0.580 20 0 CCADLP [NH3+]C[C@H]1CCC[N@@H+]1C[C@H](O)COc1cccc(F)c1 ZINC001246067552 807140343 /nfs/dbraw/zinc/14/03/43/807140343.db2.gz UCWZHNRFMHNKIX-OLZOCXBDSA-N 2 2 268.332 0.989 20 0 CCADLP [NH3+]C[C@H]1CCC[N@H+]1C[C@H](O)COc1cccc(F)c1 ZINC001246067552 807140348 /nfs/dbraw/zinc/14/03/48/807140348.db2.gz UCWZHNRFMHNKIX-OLZOCXBDSA-N 2 2 268.332 0.989 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@H]2C[NH2+]CC23CC3)C[NH2+]1 ZINC001246130556 807161177 /nfs/dbraw/zinc/16/11/77/807161177.db2.gz HYRKXHATLDUIFK-SRVKXCTJSA-N 2 2 281.400 0.400 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC23CC3)CCN1 ZINC001246135154 807162264 /nfs/dbraw/zinc/16/22/64/807162264.db2.gz STYWACYOSOKMNO-GRYCIOLGSA-N 2 2 267.373 0.012 20 0 CCADLP [NH3+]CCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246260821 807200412 /nfs/dbraw/zinc/20/04/12/807200412.db2.gz BNYMJEWKLZKJSQ-PBWFPOADSA-N 3 2 252.406 0.236 20 0 CCADLP O=C1CC[NH2+]C[C@@H]1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001246293904 807211034 /nfs/dbraw/zinc/21/10/34/807211034.db2.gz PVXLNPKGTNBVDM-GJZGRUSLSA-N 2 2 273.380 0.782 20 0 CCADLP O=C1CC[NH2+]C[C@@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001246293904 807211037 /nfs/dbraw/zinc/21/10/37/807211037.db2.gz PVXLNPKGTNBVDM-GJZGRUSLSA-N 2 2 273.380 0.782 20 0 CCADLP OC[C@H]1C[NH2+]C[C@H]1[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC001246306570 807216924 /nfs/dbraw/zinc/21/69/24/807216924.db2.gz KUCREZHPFAYGJE-MWLCHTKSSA-N 2 2 281.322 0.183 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@@H]1[NH2+][C@@H]1CCc2ncsc2C1 ZINC001246312482 807218223 /nfs/dbraw/zinc/21/82/23/807218223.db2.gz XWADUWRQPSUSSL-NGZCFLSTSA-N 2 2 253.371 0.170 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCc2ncsc2C1 ZINC001246312468 807218466 /nfs/dbraw/zinc/21/84/66/807218466.db2.gz XWADUWRQPSUSSL-ATZCPNFKSA-N 2 2 253.371 0.170 20 0 CCADLP CCCc1cc(C[NH3+])nn1[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246320820 807220888 /nfs/dbraw/zinc/22/08/88/807220888.db2.gz KLOIGSBUEOCIOA-RYUDHWBXSA-N 2 2 266.345 0.370 20 0 CCADLP O=C1COCCN1c1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC001246348616 807228404 /nfs/dbraw/zinc/22/84/04/807228404.db2.gz DCOQNLRDCOWKIS-AWEZNQCLSA-N 2 2 289.379 0.891 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C[C@H]1C(=O)OC ZINC001246359732 807234100 /nfs/dbraw/zinc/23/41/00/807234100.db2.gz VTQPZPSHWYRRAK-UMSGYPCISA-N 2 2 298.383 0.459 20 0 CCADLP CCOC(=O)[C@H](N)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001246417742 807248929 /nfs/dbraw/zinc/24/89/29/807248929.db2.gz OTMXQUQWORLPBO-GFCCVEGCSA-N 2 2 255.362 0.093 20 0 CCADLP CC(C)[NH2+]CCN[C@@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246456427 807255289 /nfs/dbraw/zinc/25/52/89/807255289.db2.gz AJPZOYVLMFYOHG-RYUDHWBXSA-N 2 2 271.405 0.646 20 0 CCADLP C[C@@H]1CC[N@@H+]([C@H]2CN[C@H](C(=O)OC(C)(C)C)C2)C[C@H]1C[NH3+] ZINC001246552985 807284291 /nfs/dbraw/zinc/28/42/91/807284291.db2.gz QZCUZMKZTJUMGF-SYQHCUMBSA-N 2 2 297.443 0.975 20 0 CCADLP C[C@@H]1CC[N@H+]([C@H]2CN[C@H](C(=O)OC(C)(C)C)C2)C[C@H]1C[NH3+] ZINC001246552985 807284294 /nfs/dbraw/zinc/28/42/94/807284294.db2.gz QZCUZMKZTJUMGF-SYQHCUMBSA-N 2 2 297.443 0.975 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](C2Cc3cc(F)c(F)cc3C2)C[C@H]1O ZINC001246569742 807294547 /nfs/dbraw/zinc/29/45/47/807294547.db2.gz SLMRZCQNTMCEKZ-ZIAGYGMSSA-N 2 2 268.307 0.826 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](C2Cc3cc(F)c(F)cc3C2)C[C@H]1O ZINC001246569742 807294551 /nfs/dbraw/zinc/29/45/51/807294551.db2.gz SLMRZCQNTMCEKZ-ZIAGYGMSSA-N 2 2 268.307 0.826 20 0 CCADLP CCCC[C@@H]1C[C@@H]([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246587959 807308691 /nfs/dbraw/zinc/30/86/91/807308691.db2.gz XCQZESRYACZONF-CRWXNKLISA-N 3 2 255.406 0.549 20 0 CCADLP CCCC[C@@H]1C[C@@H]([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246587959 807308697 /nfs/dbraw/zinc/30/86/97/807308697.db2.gz XCQZESRYACZONF-CRWXNKLISA-N 3 2 255.406 0.549 20 0 CCADLP CCOC(=O)[C@H]1CC2(C[N@@H+]1C1CC[NH2+]CC1)CC[NH2+]CC2 ZINC001246605208 807319903 /nfs/dbraw/zinc/31/99/03/807319903.db2.gz SSZYIFPVBVKOCO-CQSZACIVSA-N 3 2 295.427 0.746 20 0 CCADLP CCOC(=O)[C@H]1CC2(C[N@H+]1C1CC[NH2+]CC1)CC[NH2+]CC2 ZINC001246605208 807319910 /nfs/dbraw/zinc/31/99/10/807319910.db2.gz SSZYIFPVBVKOCO-CQSZACIVSA-N 3 2 295.427 0.746 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)CN1 ZINC001246692772 807355868 /nfs/dbraw/zinc/35/58/68/807355868.db2.gz OOSGPKOKJYLNED-PWNZVWSESA-N 2 2 299.390 0.304 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)CN1 ZINC001246692772 807355878 /nfs/dbraw/zinc/35/58/78/807355878.db2.gz OOSGPKOKJYLNED-PWNZVWSESA-N 2 2 299.390 0.304 20 0 CCADLP CC(=O)N1CCO[C@@H]2CC[N@@H+]([C@H]3CCC[NH2+]C3)CC[C@H]21 ZINC001246693339 807356480 /nfs/dbraw/zinc/35/64/80/807356480.db2.gz JBJLKDNLNFYRJH-RRFJBIMHSA-N 2 2 281.400 0.450 20 0 CCADLP CC(=O)N1CCO[C@@H]2CC[N@H+]([C@H]3CCC[NH2+]C3)CC[C@H]21 ZINC001246693339 807356488 /nfs/dbraw/zinc/35/64/88/807356488.db2.gz JBJLKDNLNFYRJH-RRFJBIMHSA-N 2 2 281.400 0.450 20 0 CCADLP CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246710588 807361852 /nfs/dbraw/zinc/36/18/52/807361852.db2.gz NZEREDDTLJGDGR-LOBYFDBNSA-N 2 2 293.411 0.496 20 0 CCADLP CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246710588 807361860 /nfs/dbraw/zinc/36/18/60/807361860.db2.gz NZEREDDTLJGDGR-LOBYFDBNSA-N 2 2 293.411 0.496 20 0 CCADLP CN(C)C(=O)[C@@H]1CCO[C@@H]2CC[N@@H+]([C@H]3CCC[NH2+]C3)C[C@H]21 ZINC001246722889 807365330 /nfs/dbraw/zinc/36/53/30/807365330.db2.gz SMKIWCDFZRIQKR-LJISPDSOSA-N 2 2 295.427 0.554 20 0 CCADLP CN(C)C(=O)[C@@H]1CCO[C@@H]2CC[N@H+]([C@H]3CCC[NH2+]C3)C[C@H]21 ZINC001246722889 807365336 /nfs/dbraw/zinc/36/53/36/807365336.db2.gz SMKIWCDFZRIQKR-LJISPDSOSA-N 2 2 295.427 0.554 20 0 CCADLP COCCN1CC[C@]2(CCC[N@@H+](C3CC[NH2+]CC3)C2)C1=O ZINC001246721748 807366065 /nfs/dbraw/zinc/36/60/65/807366065.db2.gz PKPPRCSDNAYCRM-INIZCTEOSA-N 2 2 295.427 0.699 20 0 CCADLP COCCN1CC[C@]2(CCC[N@H+](C3CC[NH2+]CC3)C2)C1=O ZINC001246721748 807366074 /nfs/dbraw/zinc/36/60/74/807366074.db2.gz PKPPRCSDNAYCRM-INIZCTEOSA-N 2 2 295.427 0.699 20 0 CCADLP C[C@@H]1C[C@@H](N2CC[NH+](CC(=O)N3CCCC3)CC2)CC[NH2+]1 ZINC001246793342 807380670 /nfs/dbraw/zinc/38/06/70/807380670.db2.gz YGVBOTSFVMOQHI-CABCVRRESA-N 2 2 294.443 0.367 20 0 CCADLP C[C@H]1CC[C@H](N2CC[NH+](C3CC[NH2+]CC3)CC2)C[NH2+]1 ZINC001246795583 807383751 /nfs/dbraw/zinc/38/37/51/807383751.db2.gz MXGNKDPRRZGDBJ-ZFWWWQNUSA-N 3 2 266.433 0.497 20 0 CCADLP C[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)CC(=O)NC(=O)C3)C[NH2+]1 ZINC001246848246 807405344 /nfs/dbraw/zinc/40/53/44/807405344.db2.gz XUKZLFVLBXDWMG-VXGBXAGGSA-N 2 2 279.384 0.646 20 0 CCADLP CCOC(=O)[C@]12C[N@@H+]([C@@H](C)CC[NH2+]C)C[C@H]1C[NH2+]CC2 ZINC001246854300 807408298 /nfs/dbraw/zinc/40/82/98/807408298.db2.gz CJDBBKHOJYKLDC-GZBFAFLISA-N 3 2 283.416 0.459 20 0 CCADLP CCOC(=O)[C@]12C[N@H+]([C@@H](C)CC[NH2+]C)C[C@H]1C[NH2+]CC2 ZINC001246854300 807408302 /nfs/dbraw/zinc/40/83/02/807408302.db2.gz CJDBBKHOJYKLDC-GZBFAFLISA-N 3 2 283.416 0.459 20 0 CCADLP COCCC[NH+]1CCC([N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246857487 807409016 /nfs/dbraw/zinc/40/90/16/807409016.db2.gz ZVSXRENRIVYLEH-DZGCQCFKSA-N 3 2 267.417 0.910 20 0 CCADLP COCCC[NH+]1CCC([N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246857487 807409018 /nfs/dbraw/zinc/40/90/18/807409018.db2.gz ZVSXRENRIVYLEH-DZGCQCFKSA-N 3 2 267.417 0.910 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCN(c3ccncn3)CC2)CC[NH2+]1 ZINC001246865352 807413199 /nfs/dbraw/zinc/41/31/99/807413199.db2.gz SZIXKAHIISBIKF-OLZOCXBDSA-N 2 2 261.373 0.739 20 0 CCADLP CC[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CN[C@](CC)(C(=O)OC)C1 ZINC001246949009 807438430 /nfs/dbraw/zinc/43/84/30/807438430.db2.gz RRISZJDFFJRERK-IPYPFGDCSA-N 2 2 283.416 0.602 20 0 CCADLP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CN[C@](CC)(C(=O)OC)C1 ZINC001246949009 807438435 /nfs/dbraw/zinc/43/84/35/807438435.db2.gz RRISZJDFFJRERK-IPYPFGDCSA-N 2 2 283.416 0.602 20 0 CCADLP [NH3+][C@H](CO)Cc1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001249090570 807540975 /nfs/dbraw/zinc/54/09/75/807540975.db2.gz LEAAFOFTYIKNKU-NSHDSACASA-N 2 2 285.307 0.784 20 0 CCADLP CC(=O)c1cccc(-c2noc(C[C@@H]([NH3+])C[NH3+])n2)c1 ZINC001249129623 807544380 /nfs/dbraw/zinc/54/43/80/807544380.db2.gz PEGYJXVHUKSQBK-LLVKDONJSA-N 2 2 260.297 0.768 20 0 CCADLP C(C1CC1)[NH+]1CCC([NH2+][C@@H]2COCCC23OCCO3)CC1 ZINC001168358342 815128012 /nfs/dbraw/zinc/12/80/12/815128012.db2.gz SKMGXAVLFJQIRV-OAHLLOKOSA-N 2 2 296.411 0.982 20 0 CCADLP CCOCC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC001278533347 807567067 /nfs/dbraw/zinc/56/70/67/807567067.db2.gz RCSDAXNEZLRFHG-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP CCOCC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC001278533347 807567069 /nfs/dbraw/zinc/56/70/69/807567069.db2.gz RCSDAXNEZLRFHG-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP Cc1ccc(O)c(NC[C@H](O)C[NH+]2CCOCC2)[nH+]1 ZINC001251007866 807638906 /nfs/dbraw/zinc/63/89/06/807638906.db2.gz VSBSFWDTXPJMCR-NSHDSACASA-N 2 2 267.329 0.201 20 0 CCADLP CC(C)[N@H+](C[C@@H](O)CN1CCOCC1)C1CC[NH+](C)CC1 ZINC001251023718 807645220 /nfs/dbraw/zinc/64/52/20/807645220.db2.gz LFUUYYNHAHOEBC-INIZCTEOSA-N 2 2 299.459 0.484 20 0 CCADLP CC(C)[N@@H+](C[C@@H](O)CN1CCOCC1)C1CC[NH+](C)CC1 ZINC001251023718 807645225 /nfs/dbraw/zinc/64/52/25/807645225.db2.gz LFUUYYNHAHOEBC-INIZCTEOSA-N 2 2 299.459 0.484 20 0 CCADLP [NH3+]CCC[NH+]1CCN(C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168360361 815145112 /nfs/dbraw/zinc/14/51/12/815145112.db2.gz PCRRDDWFBJLFQI-UHFFFAOYSA-N 3 2 280.460 0.827 20 0 CCADLP CCCC[C@H](O)C[NH2+]CCC(=O)NCCc1c[nH]c[nH+]1 ZINC001252115542 807796653 /nfs/dbraw/zinc/79/66/53/807796653.db2.gz SHLJIVAQZRRBAQ-ZDUSSCGKSA-N 2 2 282.388 0.599 20 0 CCADLP CCCC[C@H](O)C[NH2+]CCC(=O)NCCc1c[nH+]c[nH]1 ZINC001252115542 807796655 /nfs/dbraw/zinc/79/66/55/807796655.db2.gz SHLJIVAQZRRBAQ-ZDUSSCGKSA-N 2 2 282.388 0.599 20 0 CCADLP COC(=O)[C@H](O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001252425281 807837464 /nfs/dbraw/zinc/83/74/64/807837464.db2.gz JHSONFLCBGQVAM-NWDGAFQWSA-N 2 2 280.324 0.377 20 0 CCADLP COC(=O)[C@H](O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001252425281 807837472 /nfs/dbraw/zinc/83/74/72/807837472.db2.gz JHSONFLCBGQVAM-NWDGAFQWSA-N 2 2 280.324 0.377 20 0 CCADLP COC(=O)[C@@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001252427862 807843750 /nfs/dbraw/zinc/84/37/50/807843750.db2.gz LIUVUWKUXUKEFN-NSHDSACASA-N 2 2 253.302 0.054 20 0 CCADLP COC[C@@H](O)C[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001252815029 807965273 /nfs/dbraw/zinc/96/52/73/807965273.db2.gz LCGNJPPLHFYJEK-DZKIICNBSA-N 2 2 291.395 0.453 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@H](CC(=O)OC)C1 ZINC001253191610 808025406 /nfs/dbraw/zinc/02/54/06/808025406.db2.gz AZHBSLKOJBWKLX-KGLIPLIRSA-N 2 2 286.416 0.964 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@H](CC(=O)OC)C1 ZINC001253191610 808025413 /nfs/dbraw/zinc/02/54/13/808025413.db2.gz AZHBSLKOJBWKLX-KGLIPLIRSA-N 2 2 286.416 0.964 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@]2(CCC(=O)O2)C1 ZINC001253193727 808026698 /nfs/dbraw/zinc/02/66/98/808026698.db2.gz ICSHXRHAXZOWMP-HIFRSBDPSA-N 2 2 284.400 0.861 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@]2(CCC(=O)O2)C1 ZINC001253193727 808026704 /nfs/dbraw/zinc/02/67/04/808026704.db2.gz ICSHXRHAXZOWMP-HIFRSBDPSA-N 2 2 284.400 0.861 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH+]1CCC2(CCOC2=O)CC1 ZINC001253195127 808028470 /nfs/dbraw/zinc/02/84/70/808028470.db2.gz NQEUIDNOAWSKKM-ZDUSSCGKSA-N 2 2 284.400 0.718 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH+]1CCC2(CC(=O)CO2)CC1 ZINC001253390928 808053465 /nfs/dbraw/zinc/05/34/65/808053465.db2.gz ZCZIUQZUJOFANQ-CYBMUJFWSA-N 2 2 284.400 0.559 20 0 CCADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@H]2[NH3+])CC1=O ZINC001254242871 808198521 /nfs/dbraw/zinc/19/85/21/808198521.db2.gz YMEFOYVUSUDEPW-IVZWLZJFSA-N 2 2 269.345 0.602 20 0 CCADLP C[NH+]1CC(C(=O)N2CC[NH+](CCc3ccncc3)CC2)C1 ZINC001142594536 815187948 /nfs/dbraw/zinc/18/79/48/815187948.db2.gz POPFPWMUYUSZLM-UHFFFAOYSA-N 2 2 288.395 0.330 20 0 CCADLP CC(C)NC(=O)CN1CC[NH+]([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254523866 808253176 /nfs/dbraw/zinc/25/31/76/808253176.db2.gz SFRPVCIVEKTHCS-HNNXBMFYSA-N 2 2 296.459 0.613 20 0 CCADLP CC(C)NC(=O)CN1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254523866 808253182 /nfs/dbraw/zinc/25/31/82/808253182.db2.gz SFRPVCIVEKTHCS-HNNXBMFYSA-N 2 2 296.459 0.613 20 0 CCADLP CC(C)(C)OC(=O)N1CC2(C1)C[C@@H]([NH2+][C@@H]1C[C@H]1[NH3+])CCO2 ZINC001254804681 808280624 /nfs/dbraw/zinc/28/06/24/808280624.db2.gz VIALWRYYAHVOFT-QJPTWQEYSA-N 2 2 297.399 0.844 20 0 CCADLP C1OCC1N1CCC[C@@H]([NH2+][C@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254839257 808284355 /nfs/dbraw/zinc/28/43/55/808284355.db2.gz OPALTINBSNOKBR-CABCVRRESA-N 2 2 279.428 0.924 20 0 CCADLP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@H+](CC[NH3+])CCO)C2 ZINC001255189961 808328020 /nfs/dbraw/zinc/32/80/20/808328020.db2.gz ZXLOXQKNVYFKMM-ITGUQSILSA-N 2 2 285.388 0.391 20 0 CCADLP C[N@@H+]1CC[C@H](NC(=[NH2+])SCCSC(N)=[NH2+])C1 ZINC001255418585 808358085 /nfs/dbraw/zinc/35/80/85/808358085.db2.gz VXCOGNUQQQIUFO-ZETCQYMHSA-N 3 2 261.420 0.575 20 0 CCADLP C[N@H+]1CC[C@H](NC(=[NH2+])SCCSC(N)=[NH2+])C1 ZINC001255418585 808358094 /nfs/dbraw/zinc/35/80/94/808358094.db2.gz VXCOGNUQQQIUFO-ZETCQYMHSA-N 3 2 261.420 0.575 20 0 CCADLP C[C@H]1[C@@H](NC(=O)NCc2ccc[nH+]c2N)CC[N@@H+]1C ZINC001255628624 808415424 /nfs/dbraw/zinc/41/54/24/808415424.db2.gz HEEJRCHEGAFCNI-ONGXEEELSA-N 2 2 263.345 0.556 20 0 CCADLP C[C@H]1[C@@H](NC(=O)NCc2ccc[nH+]c2N)CC[N@H+]1C ZINC001255628624 808415429 /nfs/dbraw/zinc/41/54/29/808415429.db2.gz HEEJRCHEGAFCNI-ONGXEEELSA-N 2 2 263.345 0.556 20 0 CCADLP CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001278899199 808441821 /nfs/dbraw/zinc/44/18/21/808441821.db2.gz AKCABWAVCXWFPX-LBPRGKRZSA-N 2 2 269.389 0.044 20 0 CCADLP CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001278899199 808441825 /nfs/dbraw/zinc/44/18/25/808441825.db2.gz AKCABWAVCXWFPX-LBPRGKRZSA-N 2 2 269.389 0.044 20 0 CCADLP CCOC(=O)N1CC[C@H]([NH2+]C2(CO)CC[NH+](C)CC2)C1 ZINC001256027043 808453048 /nfs/dbraw/zinc/45/30/48/808453048.db2.gz LDXMWFFROGNFOX-LBPRGKRZSA-N 2 2 285.388 0.264 20 0 CCADLP NC(=O)c1cncc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC001256071867 808467815 /nfs/dbraw/zinc/46/78/15/808467815.db2.gz SDXLTTMMWBCDGA-UHFFFAOYSA-N 2 2 274.368 0.897 20 0 CCADLP COC(=O)[C@H]1COCCC12C[NH+](C1CC[NH+](C)CC1)C2 ZINC001256208689 808481762 /nfs/dbraw/zinc/48/17/62/808481762.db2.gz MTUONAWWVYHXHB-CYBMUJFWSA-N 2 2 282.384 0.592 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)n1cc[nH+]c1CC[NH3+] ZINC001256320475 808492169 /nfs/dbraw/zinc/49/21/69/808492169.db2.gz OQGGEYSTCHFOHK-LLVKDONJSA-N 2 2 266.345 0.194 20 0 CCADLP COC(=O)[C@H]([NH3+])Cc1cn(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC001256620831 808541687 /nfs/dbraw/zinc/54/16/87/808541687.db2.gz FDAGZBVTZLZMPU-QNMSZWNNSA-N 2 2 292.383 0.724 20 0 CCADLP COC(=O)[C@H]([NH3+])Cc1cn(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC001256620831 808541695 /nfs/dbraw/zinc/54/16/95/808541695.db2.gz FDAGZBVTZLZMPU-QNMSZWNNSA-N 2 2 292.383 0.724 20 0 CCADLP COc1cccc2c1CC[C@H]([NH2+][C@@H]1COC[C@H]1[NH3+])C2 ZINC001256637562 808543288 /nfs/dbraw/zinc/54/32/88/808543288.db2.gz XVAHNTCZGYYJHX-IACUBPJLSA-N 2 2 262.353 0.868 20 0 CCADLP CC[C@](N)(CO)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001256853410 808563203 /nfs/dbraw/zinc/56/32/03/808563203.db2.gz BSXSYMRGJUXZRT-CQSZACIVSA-N 2 2 264.373 0.697 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](CCC[NH3+])C(=O)OC)C1 ZINC001257035789 808582180 /nfs/dbraw/zinc/58/21/80/808582180.db2.gz DVJCDPQRMTVCCF-IJLUTSLNSA-N 2 2 286.372 0.588 20 0 CCADLP COC(=O)C1(O)CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC001257224239 808600085 /nfs/dbraw/zinc/60/00/85/808600085.db2.gz UTGPEBMRUCPZBA-UHFFFAOYSA-N 2 2 284.400 0.859 20 0 CCADLP CC(C)C[NH+]1CCC([NH+]2CCN(CC[NH3+])CC2)CC1 ZINC001258002810 808647032 /nfs/dbraw/zinc/64/70/32/808647032.db2.gz GALKNLJOAQJFRU-UHFFFAOYSA-N 3 2 268.449 0.683 20 0 CCADLP CCC[NH+]1CCC([N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)CC1 ZINC001258775119 808701091 /nfs/dbraw/zinc/70/10/91/808701091.db2.gz AKGOJHRBMZTRCB-JSGCOSHPSA-N 2 2 265.401 0.929 20 0 CCADLP CCC[NH+]1CCC([N@H+]2CC[C@H]3CNC(=O)[C@H]3C2)CC1 ZINC001258775119 808701096 /nfs/dbraw/zinc/70/10/96/808701096.db2.gz AKGOJHRBMZTRCB-JSGCOSHPSA-N 2 2 265.401 0.929 20 0 CCADLP CN(C)C(=O)c1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)[nH]1 ZINC001261482095 808992561 /nfs/dbraw/zinc/99/25/61/808992561.db2.gz ALXOYYBTKFZQOY-JTQLQIEISA-N 2 2 250.346 0.497 20 0 CCADLP CN(C)C(=O)c1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)[nH]1 ZINC001261482095 808992569 /nfs/dbraw/zinc/99/25/69/808992569.db2.gz ALXOYYBTKFZQOY-JTQLQIEISA-N 2 2 250.346 0.497 20 0 CCADLP C[NH2+]CC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001262046185 809171622 /nfs/dbraw/zinc/17/16/22/809171622.db2.gz KQIVUXVEJOSOLF-ZDUSSCGKSA-N 2 2 258.325 0.960 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)[C@@H]1C[NH2+]CCC12CCC2 ZINC001263100718 809443031 /nfs/dbraw/zinc/44/30/31/809443031.db2.gz VZNGDZPCMSEXFL-NSHDSACASA-N 2 2 262.357 0.848 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](CC[NH3+])C(F)F ZINC001263109971 809450073 /nfs/dbraw/zinc/45/00/73/809450073.db2.gz LDCNBMLPRLBCHH-IONNQARKSA-N 2 2 260.288 0.687 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](CC[NH3+])C(F)F ZINC001263109971 809450076 /nfs/dbraw/zinc/45/00/76/809450076.db2.gz LDCNBMLPRLBCHH-IONNQARKSA-N 2 2 260.288 0.687 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC001263866149 809593541 /nfs/dbraw/zinc/59/35/41/809593541.db2.gz FKBCIMYVORKGCQ-LBPRGKRZSA-N 2 2 262.357 0.659 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H](C[NH2+]CCF)C1 ZINC001265625739 809815821 /nfs/dbraw/zinc/81/58/21/809815821.db2.gz GMKXLTCIYKGRHQ-NSHDSACASA-N 2 2 268.336 0.750 20 0 CCADLP CCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001076633327 815323337 /nfs/dbraw/zinc/32/33/37/815323337.db2.gz IRDIBGJDTFHPQP-QWHCGFSZSA-N 2 2 262.357 0.826 20 0 CCADLP CCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001076633327 815323343 /nfs/dbraw/zinc/32/33/43/815323343.db2.gz IRDIBGJDTFHPQP-QWHCGFSZSA-N 2 2 262.357 0.826 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]C[C@H]1CCOC1 ZINC001265843784 809872272 /nfs/dbraw/zinc/87/22/72/809872272.db2.gz NGUJTLQBHXCILQ-WDEREUQCSA-N 2 2 266.345 0.083 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@H](C[NH2+]CCCO)C1 ZINC001265987311 809913439 /nfs/dbraw/zinc/91/34/39/809913439.db2.gz XKQRMNQISUFWQV-JHJVBQTASA-N 2 2 292.383 0.334 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@H](C[NH2+]CCCO)C1 ZINC001265987311 809913441 /nfs/dbraw/zinc/91/34/41/809913441.db2.gz XKQRMNQISUFWQV-JHJVBQTASA-N 2 2 292.383 0.334 20 0 CCADLP C[NH+]1CC(C[NH2+]C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000705030805 809965626 /nfs/dbraw/zinc/96/56/26/809965626.db2.gz XFDAWKWFYNRMLQ-HNNXBMFYSA-N 2 2 299.415 0.510 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1CCF ZINC001267283476 811096068 /nfs/dbraw/zinc/09/60/68/811096068.db2.gz NDEODMGQUBPJKE-GFCCVEGCSA-N 2 2 259.369 0.877 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]1CCF ZINC001267283476 811096078 /nfs/dbraw/zinc/09/60/78/811096078.db2.gz NDEODMGQUBPJKE-GFCCVEGCSA-N 2 2 259.369 0.877 20 0 CCADLP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]1CCF ZINC001267283476 811096098 /nfs/dbraw/zinc/09/60/98/811096098.db2.gz NDEODMGQUBPJKE-GFCCVEGCSA-N 2 2 259.369 0.877 20 0 CCADLP COCCCC[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001267309363 811131977 /nfs/dbraw/zinc/13/19/77/811131977.db2.gz LRGMUPKTCOZKGW-AWEZNQCLSA-N 2 2 294.399 0.748 20 0 CCADLP COCCCC[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001267309363 811131982 /nfs/dbraw/zinc/13/19/82/811131982.db2.gz LRGMUPKTCOZKGW-AWEZNQCLSA-N 2 2 294.399 0.748 20 0 CCADLP [NH3+]C1(C(=O)Nc2ccc3c(c2)OCO3)CC[NH2+]CC1 ZINC001218808263 811614731 /nfs/dbraw/zinc/61/47/31/811614731.db2.gz CTRDRMSRJOMUJD-UHFFFAOYSA-N 2 2 263.297 0.435 20 0 CCADLP C[NH2+]CCNc1ccc(OCC[NH+]2CCOCC2)nc1 ZINC001167726767 811700297 /nfs/dbraw/zinc/70/02/97/811700297.db2.gz LJWZSIGULCFQOS-UHFFFAOYSA-N 2 2 280.372 0.424 20 0 CCADLP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001077259656 815469025 /nfs/dbraw/zinc/46/90/25/815469025.db2.gz YPHAYGSXNSQHAQ-JHJVBQTASA-N 2 2 292.383 0.017 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]CCn1cccn1 ZINC001268016769 811956430 /nfs/dbraw/zinc/95/64/30/811956430.db2.gz GGJHDQIYNRKSBB-ZDUSSCGKSA-N 2 2 290.371 0.122 20 0 CCADLP C[N@H+](CCO)[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001027436465 812010022 /nfs/dbraw/zinc/01/00/22/812010022.db2.gz YXRMZHKNRPGHKH-CYBMUJFWSA-N 2 2 280.372 0.257 20 0 CCADLP C[N@@H+](CCO)[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001027436465 812010029 /nfs/dbraw/zinc/01/00/29/812010029.db2.gz YXRMZHKNRPGHKH-CYBMUJFWSA-N 2 2 280.372 0.257 20 0 CCADLP C[N@H+](CCO)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001027436465 812010037 /nfs/dbraw/zinc/01/00/37/812010037.db2.gz YXRMZHKNRPGHKH-CYBMUJFWSA-N 2 2 280.372 0.257 20 0 CCADLP C[N@@H+](CCO)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001027436465 812010045 /nfs/dbraw/zinc/01/00/45/812010045.db2.gz YXRMZHKNRPGHKH-CYBMUJFWSA-N 2 2 280.372 0.257 20 0 CCADLP CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@@H](O)C1 ZINC001083583242 815501732 /nfs/dbraw/zinc/50/17/32/815501732.db2.gz YPHAYGSXNSQHAQ-UPJWGTAASA-N 2 2 292.383 0.017 20 0 CCADLP CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@@H](O)C1 ZINC001083583242 815501737 /nfs/dbraw/zinc/50/17/37/815501737.db2.gz YPHAYGSXNSQHAQ-UPJWGTAASA-N 2 2 292.383 0.017 20 0 CCADLP CCN1CCC[C@H]([NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)C1=O ZINC000722352789 812141026 /nfs/dbraw/zinc/14/10/26/812141026.db2.gz LDIZQZWBQBTWLW-XQQFMLRXSA-N 2 2 269.389 0.354 20 0 CCADLP COC(=O)c1cc(NC(=[NH2+])SCC[NH3+])ccn1 ZINC001167913853 812153960 /nfs/dbraw/zinc/15/39/60/812153960.db2.gz FRWSEIPLZLQNJY-UHFFFAOYSA-N 2 2 254.315 0.329 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCF)O1 ZINC001027966253 812173457 /nfs/dbraw/zinc/17/34/57/812173457.db2.gz MRQNBEWRNOQGTQ-FRRDWIJNSA-N 2 2 287.379 0.256 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCF)O1 ZINC001027966253 812173463 /nfs/dbraw/zinc/17/34/63/812173463.db2.gz MRQNBEWRNOQGTQ-FRRDWIJNSA-N 2 2 287.379 0.256 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCF)O1 ZINC001027966253 812173468 /nfs/dbraw/zinc/17/34/68/812173468.db2.gz MRQNBEWRNOQGTQ-FRRDWIJNSA-N 2 2 287.379 0.256 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CCF)O1 ZINC001027966253 812173475 /nfs/dbraw/zinc/17/34/75/812173475.db2.gz MRQNBEWRNOQGTQ-FRRDWIJNSA-N 2 2 287.379 0.256 20 0 CCADLP CCN(CC[NH2+]CCF)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001268460160 812602007 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O=C(NC[C@H]1CC[N@@H+](CCO)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001028632860 813026224 /nfs/dbraw/zinc/02/62/24/813026224.db2.gz SSRFVPJVQUGLAN-LLVKDONJSA-N 2 2 288.351 0.607 20 0 CCADLP O=C(NC[C@H]1CC[N@H+](CCO)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001028632860 813026232 /nfs/dbraw/zinc/02/62/32/813026232.db2.gz SSRFVPJVQUGLAN-LLVKDONJSA-N 2 2 288.351 0.607 20 0 CCADLP COCCC[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001270065884 813611012 /nfs/dbraw/zinc/61/10/12/813611012.db2.gz ACRZYBNGNGPNPP-CQSZACIVSA-N 2 2 294.399 0.959 20 0 CCADLP COCCC[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001270065884 813611018 /nfs/dbraw/zinc/61/10/18/813611018.db2.gz ACRZYBNGNGPNPP-CQSZACIVSA-N 2 2 294.399 0.959 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H](C[NH2+]CCO)C1CCCC1 ZINC001270440575 813764356 /nfs/dbraw/zinc/76/43/56/813764356.db2.gz FPOZDVJITYUVTO-ZDUSSCGKSA-N 2 2 280.372 0.209 20 0 CCADLP C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001270447994 813766616 /nfs/dbraw/zinc/76/66/16/813766616.db2.gz YGMUDHCENXTEIT-GRYCIOLGSA-N 2 2 274.368 0.992 20 0 CCADLP C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001270447994 813766621 /nfs/dbraw/zinc/76/66/21/813766621.db2.gz YGMUDHCENXTEIT-GRYCIOLGSA-N 2 2 274.368 0.992 20 0 CCADLP CCOCC[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001167992155 813973172 /nfs/dbraw/zinc/97/31/72/813973172.db2.gz SEBPUYQTZMYJFE-LBPRGKRZSA-N 2 2 282.388 0.721 20 0 CCADLP CCOCC[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001167992155 813973179 /nfs/dbraw/zinc/97/31/79/813973179.db2.gz SEBPUYQTZMYJFE-LBPRGKRZSA-N 2 2 282.388 0.721 20 0 CCADLP Cc1nc(N(C)CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001105405691 814312009 /nfs/dbraw/zinc/31/20/09/814312009.db2.gz NLMVZBMTXNJNKV-CYBMUJFWSA-N 2 2 291.399 0.631 20 0 CCADLP Cc1nc(N(C)CCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001105405691 814312017 /nfs/dbraw/zinc/31/20/17/814312017.db2.gz NLMVZBMTXNJNKV-CYBMUJFWSA-N 2 2 291.399 0.631 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[N@H+](CCCO)CC[C@@H]2C1 ZINC001088121537 814416806 /nfs/dbraw/zinc/41/68/06/814416806.db2.gz LQROREYYKQRERJ-OLZOCXBDSA-N 2 2 292.383 0.115 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[N@@H+](CCCO)CC[C@@H]2C1 ZINC001088121537 814416811 /nfs/dbraw/zinc/41/68/11/814416811.db2.gz LQROREYYKQRERJ-OLZOCXBDSA-N 2 2 292.383 0.115 20 0 CCADLP CC[N@H+]1CCN(CC[NH+]2CCOC[C@H]2C)C[C@@H]1C ZINC001168208905 814908252 /nfs/dbraw/zinc/90/82/52/814908252.db2.gz XEVOKQKLWMOICF-UONOGXRCSA-N 2 2 255.406 0.733 20 0 CCADLP CC[NH+]1CCN(CC[N@@H+]2CCOC[C@H]2C)C[C@@H]1C ZINC001168208905 814908257 /nfs/dbraw/zinc/90/82/57/814908257.db2.gz XEVOKQKLWMOICF-UONOGXRCSA-N 2 2 255.406 0.733 20 0 CCADLP CC[NH+]1CCN(CC[N@H+]2CCOC[C@H]2C)C[C@@H]1C ZINC001168208905 814908261 /nfs/dbraw/zinc/90/82/61/814908261.db2.gz XEVOKQKLWMOICF-UONOGXRCSA-N 2 2 255.406 0.733 20 0 CCADLP CC[C@H](F)C[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001083645218 815593124 /nfs/dbraw/zinc/59/31/24/815593124.db2.gz QFHFNEPAROWEOJ-XQQFMLRXSA-N 2 2 298.362 0.101 20 0 CCADLP CC[C@H](F)C[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001083645218 815593128 /nfs/dbraw/zinc/59/31/28/815593128.db2.gz QFHFNEPAROWEOJ-XQQFMLRXSA-N 2 2 298.362 0.101 20 0 CCADLP CC[NH+](CC)CC(=O)NC[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001105869700 815932235 /nfs/dbraw/zinc/93/22/35/815932235.db2.gz YZQCZLXHUCHSAK-GFCCVEGCSA-N 2 2 295.387 0.016 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001030301931 815966891 /nfs/dbraw/zinc/96/68/91/815966891.db2.gz SNZUJAADRHITNN-GXTWGEPZSA-N 2 2 283.416 0.695 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001030301931 815966893 /nfs/dbraw/zinc/96/68/93/815966893.db2.gz SNZUJAADRHITNN-GXTWGEPZSA-N 2 2 283.416 0.695 20 0 CCADLP O=C(NC1C[NH+](CCO)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001030315146 815972490 /nfs/dbraw/zinc/97/24/90/815972490.db2.gz ORGDTOMHQRXVFU-ZDUSSCGKSA-N 2 2 295.427 0.434 20 0 CCADLP O=C(NC1C[NH+](CCO)C1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001030315146 815972493 /nfs/dbraw/zinc/97/24/93/815972493.db2.gz ORGDTOMHQRXVFU-ZDUSSCGKSA-N 2 2 295.427 0.434 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](C[C@H](C)OC)C1 ZINC001030400919 816014399 /nfs/dbraw/zinc/01/43/99/816014399.db2.gz IUQAYYQKYPOOMJ-JSGCOSHPSA-N 2 2 283.416 0.696 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](C[C@H](C)OC)C1 ZINC001030400919 816014404 /nfs/dbraw/zinc/01/44/04/816014404.db2.gz IUQAYYQKYPOOMJ-JSGCOSHPSA-N 2 2 283.416 0.696 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001030433091 816037335 /nfs/dbraw/zinc/03/73/35/816037335.db2.gz VFPSEYXSZOSQGY-KBPBESRZSA-N 2 2 297.443 0.800 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001030433091 816037341 /nfs/dbraw/zinc/03/73/41/816037341.db2.gz VFPSEYXSZOSQGY-KBPBESRZSA-N 2 2 297.443 0.800 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1CCF ZINC001089038282 816220718 /nfs/dbraw/zinc/22/07/18/816220718.db2.gz MTIOBJDJDWWGEL-NEPJUHHUSA-N 2 2 257.353 0.631 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@H+]1CCF ZINC001089038282 816220721 /nfs/dbraw/zinc/22/07/21/816220721.db2.gz MTIOBJDJDWWGEL-NEPJUHHUSA-N 2 2 257.353 0.631 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC1CC2(C1)CC([NH2+]CCO)C2 ZINC001121212028 816328506 /nfs/dbraw/zinc/32/85/06/816328506.db2.gz DHGAOSYHBURWPE-UHFFFAOYSA-N 2 2 292.383 0.352 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC1CC2(C1)CC([NH2+]CCO)C2 ZINC001121212028 816328513 /nfs/dbraw/zinc/32/85/13/816328513.db2.gz DHGAOSYHBURWPE-UHFFFAOYSA-N 2 2 292.383 0.352 20 0 CCADLP C[C@@H]1CC[C@H](C[NH+]2CC(NC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC001030892000 816401592 /nfs/dbraw/zinc/40/15/92/816401592.db2.gz YKPJWKXRGVQHPU-IUODEOHRSA-N 2 2 295.427 0.696 20 0 CCADLP CC[N@@H+]1CC[C@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001272446678 816438489 /nfs/dbraw/zinc/43/84/89/816438489.db2.gz RREZAAAEVFMOAB-AWEZNQCLSA-N 2 2 278.356 0.243 20 0 CCADLP CC[N@H+]1CC[C@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001272446678 816438490 /nfs/dbraw/zinc/43/84/90/816438490.db2.gz RREZAAAEVFMOAB-AWEZNQCLSA-N 2 2 278.356 0.243 20 0 CCADLP CCCC[N@@H+]1C[C@]2(F)CN(CC[NH+](C)C)C(=O)[C@]2(F)C1 ZINC001272468060 816455650 /nfs/dbraw/zinc/45/56/50/816455650.db2.gz ZIEDWDCEDSLRJA-UONOGXRCSA-N 2 2 289.370 0.923 20 0 CCADLP CCCC[N@H+]1C[C@]2(F)CN(CC[NH+](C)C)C(=O)[C@]2(F)C1 ZINC001272468060 816455655 /nfs/dbraw/zinc/45/56/55/816455655.db2.gz ZIEDWDCEDSLRJA-UONOGXRCSA-N 2 2 289.370 0.923 20 0 CCADLP CC[C@H](C(=O)NC[C@@H](CO)Nc1cc[nH+]c(C)n1)[NH+](C)C ZINC001121860077 816464315 /nfs/dbraw/zinc/46/43/15/816464315.db2.gz FHYUVTBIKLYWRU-NWDGAFQWSA-N 2 2 295.387 0.014 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NC2C[NH+](CCCF)C2)C1 ZINC001030960795 816505866 /nfs/dbraw/zinc/50/58/66/816505866.db2.gz WLVBJGOANYPCQA-NSHDSACASA-N 2 2 257.353 0.488 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)NC2C[NH+](CCCF)C2)C1 ZINC001030960795 816505868 /nfs/dbraw/zinc/50/58/68/816505868.db2.gz WLVBJGOANYPCQA-NSHDSACASA-N 2 2 257.353 0.488 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001106223782 816663758 /nfs/dbraw/zinc/66/37/58/816663758.db2.gz MSZFKWYFVILCKP-FRRDWIJNSA-N 2 2 294.399 0.407 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001106223782 816663760 /nfs/dbraw/zinc/66/37/60/816663760.db2.gz MSZFKWYFVILCKP-FRRDWIJNSA-N 2 2 294.399 0.407 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001031141037 816693935 /nfs/dbraw/zinc/69/39/35/816693935.db2.gz URDYVRKWWJYYFP-ZDUSSCGKSA-N 2 2 283.416 0.554 20 0 CCADLP COCCC[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001168493008 816832469 /nfs/dbraw/zinc/83/24/69/816832469.db2.gz GIIWHDCEZIPYPP-UHFFFAOYSA-N 2 2 294.399 0.796 20 0 CCADLP COCC[NH+]1CC(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001031235671 816866887 /nfs/dbraw/zinc/86/68/87/816866887.db2.gz DOFDJSUQWGXWAC-UHFFFAOYSA-N 2 2 295.427 0.555 20 0 CCADLP C[C@@H]1CC[C@H](C[NH+]2CC(NC(=O)C34CC[NH+](CC3)C4)C2)O1 ZINC001031265488 816915164 /nfs/dbraw/zinc/91/51/64/816915164.db2.gz GLYJKCHTWLQFKN-TZMCWYRMSA-N 2 2 293.411 0.450 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001031267340 816915503 /nfs/dbraw/zinc/91/55/03/816915503.db2.gz CEJCVWTWKWYAMF-LLVKDONJSA-N 2 2 292.383 0.597 20 0 CCADLP Cc1ncoc1C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001031584360 817165276 /nfs/dbraw/zinc/16/52/76/817165276.db2.gz CBOCIFQYUIVXGI-CYBMUJFWSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1ncoc1C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001031584360 817165278 /nfs/dbraw/zinc/16/52/78/817165278.db2.gz CBOCIFQYUIVXGI-CYBMUJFWSA-N 2 2 292.383 0.625 20 0 CCADLP CCC[NH+]1CC(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001031779126 817360047 /nfs/dbraw/zinc/36/00/47/817360047.db2.gz KLSKULSVAYBMEY-ZDUSSCGKSA-N 2 2 276.384 0.904 20 0 CCADLP CC[NH+]1CC(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001031783919 817364955 /nfs/dbraw/zinc/36/49/55/817364955.db2.gz IXYFQYKYKJBOPE-GFCCVEGCSA-N 2 2 262.357 0.513 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000353673025 817421119 /nfs/dbraw/zinc/42/11/19/817421119.db2.gz OLQGVUDGFOCGCG-DGCLKSJQSA-N 2 2 250.346 0.443 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000353673025 817421126 /nfs/dbraw/zinc/42/11/26/817421126.db2.gz OLQGVUDGFOCGCG-DGCLKSJQSA-N 2 2 250.346 0.443 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001031980438 817517033 /nfs/dbraw/zinc/51/70/33/817517033.db2.gz RCOMWJCIXCRGBM-JQWIXIFHSA-N 2 2 257.353 0.202 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001031980438 817517040 /nfs/dbraw/zinc/51/70/40/817517040.db2.gz RCOMWJCIXCRGBM-JQWIXIFHSA-N 2 2 257.353 0.202 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001107079165 817717008 /nfs/dbraw/zinc/71/70/08/817717008.db2.gz VUSFSCUZNZGTGR-HZSPNIEDSA-N 2 2 294.399 0.602 20 0 CCADLP CCCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001047544678 817719507 /nfs/dbraw/zinc/71/95/07/817719507.db2.gz GKYLEYCEXJWHPX-STQMWFEESA-N 2 2 280.372 0.256 20 0 CCADLP CCCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001047544678 817719512 /nfs/dbraw/zinc/71/95/12/817719512.db2.gz GKYLEYCEXJWHPX-STQMWFEESA-N 2 2 280.372 0.256 20 0 CCADLP CC(=O)Nc1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)nc1 ZINC001168735121 818534147 /nfs/dbraw/zinc/53/41/47/818534147.db2.gz JCVXVVVSMLFINN-UHFFFAOYSA-N 2 2 276.344 0.634 20 0 CCADLP CN1Cc2cc(NC(=[NH2+])N3CC[NH+](C)CC3)cnc2C1=O ZINC001168735565 818536455 /nfs/dbraw/zinc/53/64/55/818536455.db2.gz CCRFGAHDPMLGFV-UHFFFAOYSA-N 2 2 288.355 0.261 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc3ccc(N)nc3n2)CC1 ZINC001168735855 818539117 /nfs/dbraw/zinc/53/91/17/818539117.db2.gz GTTGDSSRIPYDAF-UHFFFAOYSA-N 2 2 285.355 0.806 20 0 CCADLP Cc1cc(N(C)C)nc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001168736261 818543345 /nfs/dbraw/zinc/54/33/45/818543345.db2.gz ZVFALGWLJWCLSP-UHFFFAOYSA-N 2 2 277.376 0.445 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc3ncoc(=O)c3c2)CC1 ZINC001168737132 818559898 /nfs/dbraw/zinc/55/98/98/818559898.db2.gz PJXIFVUMLCWUPZ-UHFFFAOYSA-N 2 2 287.323 0.782 20 0 CCADLP COC(=O)c1ccc(C)c(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001168737291 818562582 /nfs/dbraw/zinc/56/25/82/818562582.db2.gz YURHCVQOISBDEI-UHFFFAOYSA-N 2 2 291.355 0.771 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cccnc2OC2C[NH2+]C2)CC1 ZINC001168740454 818602351 /nfs/dbraw/zinc/60/23/51/818602351.db2.gz KDCLVNNSMSJDMT-UHFFFAOYSA-N 3 2 290.371 0.026 20 0 CCADLP COc1cc(NC(=[NH2+])N2CC[NH+](C)CC2)c(F)cn1 ZINC001168740873 818607373 /nfs/dbraw/zinc/60/73/73/818607373.db2.gz QEHJEDDPXLDDMV-UHFFFAOYSA-N 2 2 267.308 0.823 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cnsn1 ZINC001128774199 818980082 /nfs/dbraw/zinc/98/00/82/818980082.db2.gz OODVJUOJCWBTEM-LBPRGKRZSA-N 2 2 297.428 0.618 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cnsn1 ZINC001128774199 818980085 /nfs/dbraw/zinc/98/00/85/818980085.db2.gz OODVJUOJCWBTEM-LBPRGKRZSA-N 2 2 297.428 0.618 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+]CC[C@@H]1CCOC1 ZINC001128967321 819236768 /nfs/dbraw/zinc/23/67/68/819236768.db2.gz LMSPBZCOOPBQDE-GFCCVEGCSA-N 2 2 280.372 0.475 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC[NH2+]CC[C@@H]1CCOC1 ZINC001128967321 819236776 /nfs/dbraw/zinc/23/67/76/819236776.db2.gz LMSPBZCOOPBQDE-GFCCVEGCSA-N 2 2 280.372 0.475 20 0 CCADLP CC(C)OCCC[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128967308 819237863 /nfs/dbraw/zinc/23/78/63/819237863.db2.gz KIKVVOAEGJNPMY-UHFFFAOYSA-N 2 2 282.388 0.863 20 0 CCADLP CC(C)OCCC[NH2+]CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001128967308 819237870 /nfs/dbraw/zinc/23/78/70/819237870.db2.gz KIKVVOAEGJNPMY-UHFFFAOYSA-N 2 2 282.388 0.863 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+]C/C=C\Cl ZINC001128972930 819248111 /nfs/dbraw/zinc/24/81/11/819248111.db2.gz NTTOJWLNQWEHMU-RJRFIUFISA-N 2 2 256.737 0.801 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC[NH2+]C/C=C\Cl ZINC001128972930 819248116 /nfs/dbraw/zinc/24/81/16/819248116.db2.gz NTTOJWLNQWEHMU-RJRFIUFISA-N 2 2 256.737 0.801 20 0 CCADLP Cc1ccncc1C[NH2+]CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001128986011 819286771 /nfs/dbraw/zinc/28/67/71/819286771.db2.gz BCSKYEQSDOXEKB-UHFFFAOYSA-N 2 2 287.367 0.952 20 0 CCADLP CC[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001034746403 819320211 /nfs/dbraw/zinc/32/02/11/819320211.db2.gz XBXYQXOXEBLYDI-XYPYZODXSA-N 2 2 250.346 0.989 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001034776966 819326570 /nfs/dbraw/zinc/32/65/70/819326570.db2.gz CSMWGVAQJIIEIA-JHJVBQTASA-N 2 2 294.399 0.360 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CCCF)CCO1 ZINC001035314039 819465936 /nfs/dbraw/zinc/46/59/36/819465936.db2.gz UIFSDHFFSXELRP-STQMWFEESA-N 2 2 287.379 0.257 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CCCF)CCO1 ZINC001035314039 819465943 /nfs/dbraw/zinc/46/59/43/819465943.db2.gz UIFSDHFFSXELRP-STQMWFEESA-N 2 2 287.379 0.257 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](CCCF)CCO1 ZINC001035314039 819465946 /nfs/dbraw/zinc/46/59/46/819465946.db2.gz UIFSDHFFSXELRP-STQMWFEESA-N 2 2 287.379 0.257 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCCF)CCO1 ZINC001035314039 819465950 /nfs/dbraw/zinc/46/59/50/819465950.db2.gz UIFSDHFFSXELRP-STQMWFEESA-N 2 2 287.379 0.257 20 0 CCADLP CCOC(=O)COCC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000705701798 819546495 /nfs/dbraw/zinc/54/64/95/819546495.db2.gz IMEWJBINOIWQRL-HUUCEWRRSA-N 2 2 284.400 0.840 20 0 CCADLP CC(C)=CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001035612617 819590194 /nfs/dbraw/zinc/59/01/94/819590194.db2.gz FHFFKUXMYAEJKP-CABCVRRESA-N 2 2 295.427 0.721 20 0 CCADLP CC(C)=CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001035612617 819590197 /nfs/dbraw/zinc/59/01/97/819590197.db2.gz FHFFKUXMYAEJKP-CABCVRRESA-N 2 2 295.427 0.721 20 0 CCADLP CC(C)=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001035612617 819590201 /nfs/dbraw/zinc/59/02/01/819590201.db2.gz FHFFKUXMYAEJKP-CABCVRRESA-N 2 2 295.427 0.721 20 0 CCADLP CC(C)=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001035612617 819590206 /nfs/dbraw/zinc/59/02/06/819590206.db2.gz FHFFKUXMYAEJKP-CABCVRRESA-N 2 2 295.427 0.721 20 0 CCADLP C[C@@H](O)C[NH+]1CC2(C1)CCN(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC001035822173 819629151 /nfs/dbraw/zinc/62/91/51/819629151.db2.gz AUJIZQWRDKXLNK-GFCCVEGCSA-N 2 2 292.383 0.257 20 0 CCADLP CSC1CC([NH2+]CC(=O)N2CC[NH+](C)CC2)C1 ZINC000708267056 819768773 /nfs/dbraw/zinc/76/87/73/819768773.db2.gz VHLUOIYUDDDHIN-UHFFFAOYSA-N 2 2 257.403 0.244 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711279026 819996704 /nfs/dbraw/zinc/99/67/04/819996704.db2.gz FGTRCGQVTKCXKZ-GHMZBOCLSA-N 2 2 250.346 0.633 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1C ZINC001080947628 820657383 /nfs/dbraw/zinc/65/73/83/820657383.db2.gz GBGWNLVUPHVZBA-ZYHUDNBSSA-N 2 2 268.336 0.598 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1C ZINC001080947628 820657390 /nfs/dbraw/zinc/65/73/90/820657390.db2.gz GBGWNLVUPHVZBA-ZYHUDNBSSA-N 2 2 268.336 0.598 20 0 CCADLP CCCC[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](OC)C1 ZINC001082345883 820940789 /nfs/dbraw/zinc/94/07/89/820940789.db2.gz GQMGKELPLSJJRA-ZIAGYGMSSA-N 2 2 294.399 0.876 20 0 CCADLP CCCC[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](OC)C1 ZINC001082345883 820940794 /nfs/dbraw/zinc/94/07/94/820940794.db2.gz GQMGKELPLSJJRA-ZIAGYGMSSA-N 2 2 294.399 0.876 20 0 CCADLP CC[C@H](C)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001082395124 820955116 /nfs/dbraw/zinc/95/51/16/820955116.db2.gz WMXLAWYWNLZCNZ-BFHYXJOUSA-N 2 2 294.399 0.745 20 0 CCADLP CC[C@H](C)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001082395124 820955121 /nfs/dbraw/zinc/95/51/21/820955121.db2.gz WMXLAWYWNLZCNZ-BFHYXJOUSA-N 2 2 294.399 0.745 20 0 CCADLP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001082892527 821056990 /nfs/dbraw/zinc/05/69/90/821056990.db2.gz FHLKMRFHNRFBSZ-MBNYWOFBSA-N 2 2 294.399 0.170 20 0 CCADLP CC[N@@H+]1C[C@H]2OCCN(C(=O)CCn3cc[nH+]c3)[C@H]2C1 ZINC001083157800 821150660 /nfs/dbraw/zinc/15/06/60/821150660.db2.gz PZCOOPTYYRPMJC-QWHCGFSZSA-N 2 2 278.356 0.205 20 0 CCADLP CC[N@H+]1C[C@H]2OCCN(C(=O)CCn3cc[nH+]c3)[C@H]2C1 ZINC001083157800 821150666 /nfs/dbraw/zinc/15/06/66/821150666.db2.gz PZCOOPTYYRPMJC-QWHCGFSZSA-N 2 2 278.356 0.205 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CCC(C)C)C[C@@H]1O ZINC001083998702 821165595 /nfs/dbraw/zinc/16/55/95/821165595.db2.gz JXWFXVGOQQSARK-KGLIPLIRSA-N 2 2 294.399 0.468 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CCC(C)C)C[C@@H]1O ZINC001083998702 821165602 /nfs/dbraw/zinc/16/56/02/821165602.db2.gz JXWFXVGOQQSARK-KGLIPLIRSA-N 2 2 294.399 0.468 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1O ZINC001083997718 821171985 /nfs/dbraw/zinc/17/19/85/821171985.db2.gz JZMNNLVWJOJZLY-KGLIPLIRSA-N 2 2 292.383 0.222 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1O ZINC001083997718 821171990 /nfs/dbraw/zinc/17/19/90/821171990.db2.gz JZMNNLVWJOJZLY-KGLIPLIRSA-N 2 2 292.383 0.222 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[NH+](CCF)C[C@H]32)C1 ZINC001084662353 821342953 /nfs/dbraw/zinc/34/29/53/821342953.db2.gz GMMAMERZPKSZFQ-MGPQQGTHSA-N 2 2 283.391 0.830 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CC[NH+](CCF)C[C@H]32)C1 ZINC001084662353 821342960 /nfs/dbraw/zinc/34/29/60/821342960.db2.gz GMMAMERZPKSZFQ-MGPQQGTHSA-N 2 2 283.391 0.830 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@H+](CCF)C[C@H]32)C1 ZINC001084662353 821342970 /nfs/dbraw/zinc/34/29/70/821342970.db2.gz GMMAMERZPKSZFQ-MGPQQGTHSA-N 2 2 283.391 0.830 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@@H+](CCF)C[C@H]32)C1 ZINC001084662353 821342975 /nfs/dbraw/zinc/34/29/75/821342975.db2.gz GMMAMERZPKSZFQ-MGPQQGTHSA-N 2 2 283.391 0.830 20 0 CCADLP Cc1[nH]c(CN2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c(C)[nH+]1 ZINC001119825838 821438094 /nfs/dbraw/zinc/43/80/94/821438094.db2.gz VPDGGIWMUWKNOK-WDEREUQCSA-N 2 2 266.389 0.913 20 0 CCADLP Cc1[nH]c(CN2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c(C)[nH+]1 ZINC001119825838 821438097 /nfs/dbraw/zinc/43/80/97/821438097.db2.gz VPDGGIWMUWKNOK-WDEREUQCSA-N 2 2 266.389 0.913 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001085680507 821895013 /nfs/dbraw/zinc/89/50/13/821895013.db2.gz HPWMEBWSWUOYRH-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001085680507 821895018 /nfs/dbraw/zinc/89/50/18/821895018.db2.gz HPWMEBWSWUOYRH-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP CN(C[C@H]1CC[N@@H+]1CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001085822602 821970765 /nfs/dbraw/zinc/97/07/65/821970765.db2.gz LIXNOFFETLDACU-JHJVBQTASA-N 2 2 292.383 0.049 20 0 CCADLP CN(C[C@H]1CC[N@H+]1CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001085822602 821970771 /nfs/dbraw/zinc/97/07/71/821970771.db2.gz LIXNOFFETLDACU-JHJVBQTASA-N 2 2 292.383 0.049 20 0 CCADLP COc1cc[nH+]cc1NCCOCCOCC[NH3+] ZINC001170506894 837867512 /nfs/dbraw/zinc/86/75/12/837867512.db2.gz DTOUQAZEAHQRNJ-UHFFFAOYSA-N 2 2 255.318 0.494 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CCCC(=O)[C@@H](F)C2)cc1 ZINC001157853665 837500010 /nfs/dbraw/zinc/50/00/10/837500010.db2.gz JUCAPELJTSAIQZ-STQMWFEESA-N 2 2 293.342 0.788 20 0 CCADLP C[C@H](F)CC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129891623 837577129 /nfs/dbraw/zinc/57/71/29/837577129.db2.gz PKIXTKJWUAZYEQ-HBNTYKKESA-N 2 2 268.336 0.967 20 0 CCADLP C[C@H](F)CC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129891623 837577134 /nfs/dbraw/zinc/57/71/34/837577134.db2.gz PKIXTKJWUAZYEQ-HBNTYKKESA-N 2 2 268.336 0.967 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C)c1csnn1 ZINC001130299691 837753329 /nfs/dbraw/zinc/75/33/29/837753329.db2.gz AFTZZOXMUJCNOA-ZYHUDNBSSA-N 2 2 297.428 0.789 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C)c1csnn1 ZINC001130299691 837753340 /nfs/dbraw/zinc/75/33/40/837753340.db2.gz AFTZZOXMUJCNOA-ZYHUDNBSSA-N 2 2 297.428 0.789 20 0 CCADLP CC(C)OCC[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130481649 837805428 /nfs/dbraw/zinc/80/54/28/837805428.db2.gz YEJUKZKJRVXUHA-ZDUSSCGKSA-N 2 2 294.399 0.576 20 0 CCADLP CC[C@H](F)C[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130484501 837808126 /nfs/dbraw/zinc/80/81/26/837808126.db2.gz OZNRQUKTCYIAHT-NEPJUHHUSA-N 2 2 282.363 0.899 20 0 CCADLP C[C@@H](O)CCC[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130487750 837809935 /nfs/dbraw/zinc/80/99/35/837809935.db2.gz KAPITKKVSQQTFK-OLZOCXBDSA-N 2 2 294.399 0.312 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001183379731 844018042 /nfs/dbraw/zinc/01/80/42/844018042.db2.gz PKGRQMUIDIBXMY-RWMBFGLXSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001183379731 844018050 /nfs/dbraw/zinc/01/80/50/844018050.db2.gz PKGRQMUIDIBXMY-RWMBFGLXSA-N 2 2 269.389 0.164 20 0 CCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[C@@H]([NH2+]CCCF)C1 ZINC001183773710 844086305 /nfs/dbraw/zinc/08/63/05/844086305.db2.gz UFQDHFCZUAXTHX-QWHCGFSZSA-N 2 2 294.374 0.996 20 0 CCADLP Cc1ccc2ncc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)nc2c1 ZINC001169067302 836122436 /nfs/dbraw/zinc/12/24/36/836122436.db2.gz PDTKULQNLPSEDV-LLVKDONJSA-N 2 2 283.335 0.986 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncnc2[nH]cc(F)c21 ZINC001169067770 836123650 /nfs/dbraw/zinc/12/36/50/836123650.db2.gz XZSVVVGMPZVLNU-SSDOTTSWSA-N 2 2 276.275 0.145 20 0 CCADLP CC(C)([NH3+])c1ccccc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169074728 836128413 /nfs/dbraw/zinc/12/84/13/836128413.db2.gz LNGVHDNWHCKTHA-LLVKDONJSA-N 3 2 274.368 0.928 20 0 CCADLP COc1ccnc2cc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)cnc21 ZINC001169076071 836130981 /nfs/dbraw/zinc/13/09/81/836130981.db2.gz LIFYTZNPNUBVHW-SNVBAGLBSA-N 2 2 299.334 0.686 20 0 CCADLP NC(=O)c1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cc2cc[nH]c21 ZINC001169076043 836131145 /nfs/dbraw/zinc/13/11/45/836131145.db2.gz LDRIPNKOEBYYHW-SNVBAGLBSA-N 2 2 299.334 0.315 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C2 ZINC001169100978 836132543 /nfs/dbraw/zinc/13/25/43/836132543.db2.gz NMSMZXOPBFUSDG-QKDCVEJESA-N 3 2 294.443 0.365 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C2 ZINC001169100978 836132545 /nfs/dbraw/zinc/13/25/45/836132545.db2.gz NMSMZXOPBFUSDG-QKDCVEJESA-N 3 2 294.443 0.365 20 0 CCADLP CCn1ccnc1C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169203958 836160660 /nfs/dbraw/zinc/16/06/60/836160660.db2.gz FNXGBZRYOFEBNN-UHFFFAOYSA-N 2 2 290.371 0.465 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]CCC1CC1 ZINC001169204779 836168953 /nfs/dbraw/zinc/16/89/53/836168953.db2.gz QFXCMMBSMZTYED-UHFFFAOYSA-N 2 2 250.346 0.848 20 0 CCADLP CC[NH+]1CCC([N@H+](C)CCN2CC[NH+](C)CC2)CC1 ZINC001169265670 836169696 /nfs/dbraw/zinc/16/96/96/836169696.db2.gz OQWXJKLVIPURST-UHFFFAOYSA-N 3 2 268.449 0.650 20 0 CCADLP CC[NH+]1CCC([N@@H+](C)CCN2CC[NH+](C)CC2)CC1 ZINC001169265670 836169705 /nfs/dbraw/zinc/16/97/05/836169705.db2.gz OQWXJKLVIPURST-UHFFFAOYSA-N 3 2 268.449 0.650 20 0 CCADLP CCOC(=O)[C@@H]([NH3+])Cc1cn(C2CC[NH+](CC)CC2)cn1 ZINC001169244450 836172593 /nfs/dbraw/zinc/17/25/93/836172593.db2.gz PDFVEIDDUGJGRB-AWEZNQCLSA-N 2 2 294.399 0.973 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNc1ncccc1N1CC[NH2+]CC1 ZINC001169651452 836405304 /nfs/dbraw/zinc/40/53/04/836405304.db2.gz OZDOLSGMDKZMHJ-ZDUSSCGKSA-N 2 2 291.399 0.234 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNc1ncccc1N1CC[NH2+]CC1 ZINC001169651452 836405306 /nfs/dbraw/zinc/40/53/06/836405306.db2.gz OZDOLSGMDKZMHJ-ZDUSSCGKSA-N 2 2 291.399 0.234 20 0 CCADLP COCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC001115012923 836998947 /nfs/dbraw/zinc/99/89/47/836998947.db2.gz BPJZHZLEMFXANC-YABSGUDNSA-N 2 2 278.356 0.035 20 0 CCADLP COCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC001115012923 836998956 /nfs/dbraw/zinc/99/89/56/836998956.db2.gz BPJZHZLEMFXANC-YABSGUDNSA-N 2 2 278.356 0.035 20 0 CCADLP CC(C)[NH+]1CC(Nc2cc[nH+]c(N3CCOCC3)n2)C1 ZINC001157532757 837093537 /nfs/dbraw/zinc/09/35/37/837093537.db2.gz YYSAIVMPQSGIDH-UHFFFAOYSA-N 2 2 277.372 0.818 20 0 CCADLP [NH3+][C@H]1CN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)C[C@H]1F ZINC001157538583 837104504 /nfs/dbraw/zinc/10/45/04/837104504.db2.gz MZCGDFSRTCVXAR-RDBSUJKOSA-N 2 2 277.343 0.769 20 0 CCADLP [NH3+][C@H]1CN(C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)C[C@H]1F ZINC001157538583 837104509 /nfs/dbraw/zinc/10/45/09/837104509.db2.gz MZCGDFSRTCVXAR-RDBSUJKOSA-N 2 2 277.343 0.769 20 0 CCADLP CC[NH+](CC)[C@@H](C(=O)N1CC[NH+](CCCO)CC1)C(C)C ZINC001113441465 837116472 /nfs/dbraw/zinc/11/64/72/837116472.db2.gz BJCHQDXNSTZTGP-OAHLLOKOSA-N 2 2 299.459 0.879 20 0 CCADLP CCOCCC[NH+]1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001113727329 837208279 /nfs/dbraw/zinc/20/82/79/837208279.db2.gz OVRAFVNTUBUPHS-UHFFFAOYSA-N 2 2 280.372 0.454 20 0 CCADLP CC[C@H]1C[C@@H]([NH2+]C2(CO)CC[NH+](C)CC2)CCO1 ZINC001170203967 837262934 /nfs/dbraw/zinc/26/29/34/837262934.db2.gz NSTAUUSFUUEQCH-STQMWFEESA-N 2 2 256.390 0.990 20 0 CCADLP Cc1[nH+]ccn1-c1ccc(NCC2C[NH+](C)C2)nn1 ZINC001170252741 837283944 /nfs/dbraw/zinc/28/39/44/837283944.db2.gz BQRZUBPEOBAZIX-UHFFFAOYSA-N 2 2 258.329 0.944 20 0 CCADLP O=C(NCC[NH2+]Cc1ncccn1)C12CCC[NH+]1CCC2 ZINC001130805543 837928959 /nfs/dbraw/zinc/92/89/59/837928959.db2.gz AHEIALOFIMHMIB-UHFFFAOYSA-N 2 2 289.383 0.311 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CC3CC2(C[NH3+])C3)cc1 ZINC001158191248 837966940 /nfs/dbraw/zinc/96/69/40/837966940.db2.gz NVHUPFWOPAQQAV-IQYSWEBNSA-N 3 2 274.368 0.208 20 0 CCADLP C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCO ZINC001133135628 838560167 /nfs/dbraw/zinc/56/01/67/838560167.db2.gz VARMXVGGNTYLQO-VXGBXAGGSA-N 2 2 280.372 0.019 20 0 CCADLP C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C[NH2+]CCCO ZINC001133194506 838573618 /nfs/dbraw/zinc/57/36/18/838573618.db2.gz GUTPGERBFFHDAJ-OLZOCXBDSA-N 2 2 294.399 0.409 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CCO)C1 ZINC001133272240 838587386 /nfs/dbraw/zinc/58/73/86/838587386.db2.gz WYMTYJVJJNPHRZ-YPMHNXCESA-N 2 2 294.399 0.327 20 0 CCADLP C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C[NH2+]CCF ZINC001133353492 838609400 /nfs/dbraw/zinc/60/94/00/838609400.db2.gz CQIUIYWKWJKCEG-STQMWFEESA-N 2 2 282.363 0.927 20 0 CCADLP CC(C)[C@H](C(=O)NCC[NH2+][C@@H](C)c1csnn1)[NH+](C)C ZINC001133419675 838623623 /nfs/dbraw/zinc/62/36/23/838623623.db2.gz TUQLPLUNHRQGCF-CMPLNLGQSA-N 2 2 299.444 0.891 20 0 CCADLP C[C@@H](O)CCC[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001133664607 838691105 /nfs/dbraw/zinc/69/11/05/838691105.db2.gz VDDSVHJXTCWJTA-VXGBXAGGSA-N 2 2 294.399 0.696 20 0 CCADLP CC[C@@H](C[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21)OC ZINC001133664298 838691221 /nfs/dbraw/zinc/69/12/21/838691221.db2.gz NQTYJTBEPLXTTF-RYUDHWBXSA-N 2 2 294.399 0.960 20 0 CCADLP CO[C@H](C)C[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001133663310 838691283 /nfs/dbraw/zinc/69/12/83/838691283.db2.gz CWEOVFBVCKWHFA-GHMZBOCLSA-N 2 2 280.372 0.570 20 0 CCADLP CC[C@H](C(=O)NCC[NH2+]Cc1nncs1)[NH+](CC)CC ZINC001133690931 838697011 /nfs/dbraw/zinc/69/70/11/838697011.db2.gz XCMGAXKNDNTOIF-LLVKDONJSA-N 2 2 299.444 0.864 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)C[N@H+]2CCC[C@@H]2C)s1 ZINC001133823821 838729236 /nfs/dbraw/zinc/72/92/36/838729236.db2.gz PTAWCQLWYYOWNB-JTQLQIEISA-N 2 2 297.428 0.537 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)C[N@@H+]2CCC[C@@H]2C)s1 ZINC001133823821 838729240 /nfs/dbraw/zinc/72/92/40/838729240.db2.gz PTAWCQLWYYOWNB-JTQLQIEISA-N 2 2 297.428 0.537 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2ncccn2)C1 ZINC001133854041 838741351 /nfs/dbraw/zinc/74/13/51/838741351.db2.gz WEEAXYFSNLCWFD-GFCCVEGCSA-N 2 2 277.372 0.024 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2ncccn2)C1 ZINC001133854041 838741360 /nfs/dbraw/zinc/74/13/60/838741360.db2.gz WEEAXYFSNLCWFD-GFCCVEGCSA-N 2 2 277.372 0.024 20 0 CCADLP C[C@H](C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1)[NH2+]CCO ZINC001134229470 838913371 /nfs/dbraw/zinc/91/33/71/838913371.db2.gz UBWOVTJREPGDBC-MNOVXSKESA-N 2 2 268.361 0.208 20 0 CCADLP Cc1cccnc1C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134406906 838962459 /nfs/dbraw/zinc/96/24/59/838962459.db2.gz HMIPKRFJJMWJMU-UHFFFAOYSA-N 2 2 273.340 0.562 20 0 CCADLP C[C@H]1C[C@H](C[NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)CCO1 ZINC001134393009 838964973 /nfs/dbraw/zinc/96/49/73/838964973.db2.gz GCLDKHQPEHVYSJ-NWDGAFQWSA-N 2 2 280.372 0.473 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCO)c[nH+]1 ZINC001134730147 839057434 /nfs/dbraw/zinc/05/74/34/839057434.db2.gz TXBYZXMKPBVTNP-VXGBXAGGSA-N 2 2 296.415 0.792 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CCCF ZINC001135080560 839158146 /nfs/dbraw/zinc/15/81/46/839158146.db2.gz XFIISASFQDPDEM-JTQLQIEISA-N 2 2 256.325 0.654 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]CCCF ZINC001135080560 839158151 /nfs/dbraw/zinc/15/81/51/839158151.db2.gz XFIISASFQDPDEM-JTQLQIEISA-N 2 2 256.325 0.654 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001135511240 839279245 /nfs/dbraw/zinc/27/92/45/839279245.db2.gz NNZHENVXYHCFME-UHFFFAOYSA-N 2 2 294.403 0.230 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[NH2+][C@H](C)c1nc(C)no1 ZINC001135512857 839280612 /nfs/dbraw/zinc/28/06/12/839280612.db2.gz ALRGSXSYKXMPHA-SNVBAGLBSA-N 2 2 283.376 0.487 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)C[NH+]2CCC(C)CC2)[nH]1 ZINC001135688312 839360346 /nfs/dbraw/zinc/36/03/46/839360346.db2.gz LIRMDKGJJKRWQP-UHFFFAOYSA-N 2 2 294.403 0.051 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCCC[NH2+]C[C@H]1CCCOC1 ZINC001159537296 839361976 /nfs/dbraw/zinc/36/19/76/839361976.db2.gz SPYINYUSPVURIV-CYBMUJFWSA-N 2 2 294.399 0.865 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCCC[NH2+]C[C@H]1CCCOC1 ZINC001159537296 839361995 /nfs/dbraw/zinc/36/19/95/839361995.db2.gz SPYINYUSPVURIV-CYBMUJFWSA-N 2 2 294.399 0.865 20 0 CCADLP CC1(C)CO[C@H](C[NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001135757427 839393336 /nfs/dbraw/zinc/39/33/36/839393336.db2.gz CHVGHZDDJGBIFQ-NSHDSACASA-N 2 2 280.372 0.473 20 0 CCADLP CC[C@@]([NH3+])(CO)Nc1cc[nH+]c2ccc(OC)nc12 ZINC001170865532 839461823 /nfs/dbraw/zinc/46/18/23/839461823.db2.gz ODMXXLVOVCCIHP-ZDUSSCGKSA-N 2 2 262.313 0.530 20 0 CCADLP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cccn2cc[nH+]c12 ZINC001170874539 839483594 /nfs/dbraw/zinc/48/35/94/839483594.db2.gz ZBIQHPFYDKOFKK-ZYHUDNBSSA-N 2 2 274.324 0.897 20 0 CCADLP C[C@H](C[C@H](C)NC(=O)CCc1c[nH+]cn1C)[NH2+]CCCO ZINC001136054480 839509693 /nfs/dbraw/zinc/50/96/93/839509693.db2.gz JSTVJGFOWRNXDA-OLZOCXBDSA-N 2 2 296.415 0.608 20 0 CCADLP O=C(N1CCC([NH2+][C@H]2CC[NH2+]C[C@H]2F)CC1)C(F)(F)F ZINC001246087427 839601033 /nfs/dbraw/zinc/60/10/33/839601033.db2.gz NZXSLXVRWAYGFT-ZJUUUORDSA-N 2 2 297.296 0.829 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)cn2)CC[NH2+]1 ZINC001246119093 839628559 /nfs/dbraw/zinc/62/85/59/839628559.db2.gz BIUWHDJXDYMKFJ-GHMZBOCLSA-N 2 2 283.397 0.715 20 0 CCADLP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001090601397 839666360 /nfs/dbraw/zinc/66/63/60/839666360.db2.gz QMRKHZSWNXBJHL-UONOGXRCSA-N 2 2 292.383 0.470 20 0 CCADLP CC(C)=CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001090601397 839666366 /nfs/dbraw/zinc/66/63/66/839666366.db2.gz QMRKHZSWNXBJHL-UONOGXRCSA-N 2 2 292.383 0.470 20 0 CCADLP CC(C)C[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001090680042 839731028 /nfs/dbraw/zinc/73/10/28/839731028.db2.gz RWOMLFVNCGRYNF-VXGBXAGGSA-N 2 2 280.372 0.160 20 0 CCADLP CC(C)C[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001090680042 839731040 /nfs/dbraw/zinc/73/10/40/839731040.db2.gz RWOMLFVNCGRYNF-VXGBXAGGSA-N 2 2 280.372 0.160 20 0 CCADLP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCC[NH2+]CCC[NH3+])C1 ZINC001246454387 839848222 /nfs/dbraw/zinc/84/82/22/839848222.db2.gz SCAAQSRNGXMQJW-QWHCGFSZSA-N 3 2 271.405 0.636 20 0 CCADLP CCCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090848382 839851146 /nfs/dbraw/zinc/85/11/46/839851146.db2.gz FVQWPCYAQXVERW-CHWSQXEVSA-N 2 2 280.372 0.235 20 0 CCADLP CCCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090848382 839851149 /nfs/dbraw/zinc/85/11/49/839851149.db2.gz FVQWPCYAQXVERW-CHWSQXEVSA-N 2 2 280.372 0.235 20 0 CCADLP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090846968 839851771 /nfs/dbraw/zinc/85/17/71/839851771.db2.gz KJNODBBHRRRPNG-KGLIPLIRSA-N 2 2 292.383 0.401 20 0 CCADLP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090846968 839851774 /nfs/dbraw/zinc/85/17/74/839851774.db2.gz KJNODBBHRRRPNG-KGLIPLIRSA-N 2 2 292.383 0.401 20 0 CCADLP CC[NH2+]C1CC(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001091105944 840052120 /nfs/dbraw/zinc/05/21/20/840052120.db2.gz ADMQKVZQCLEEKE-OTTFEQOBSA-N 2 2 276.384 0.950 20 0 CCADLP O=C1CCC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1F ZINC001246570007 840058992 /nfs/dbraw/zinc/05/89/92/840058992.db2.gz YGHSUDLDPCUMIW-QWRGUYRKSA-N 2 2 255.337 0.083 20 0 CCADLP O=C1CCC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1F ZINC001246570007 840059000 /nfs/dbraw/zinc/05/90/00/840059000.db2.gz YGHSUDLDPCUMIW-QWRGUYRKSA-N 2 2 255.337 0.083 20 0 CCADLP CN(Cc1nc2ccccc2o1)C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001160722091 840153044 /nfs/dbraw/zinc/15/30/44/840153044.db2.gz MMQZVZQGRLPCRJ-UWVGGRQHSA-N 2 2 274.324 0.333 20 0 CCADLP C[C@@H](O)CCC[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171238481 840179215 /nfs/dbraw/zinc/17/92/15/840179215.db2.gz PRDPDUYRSFVKEX-GFCCVEGCSA-N 2 2 282.388 0.220 20 0 CCADLP C[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@H](O)CO3)CC2)C[NH2+]1 ZINC001246614516 840183977 /nfs/dbraw/zinc/18/39/77/840183977.db2.gz NINFJJZXXDUIAN-UPJWGTAASA-N 2 2 254.374 0.743 20 0 CCADLP CC[N@H+](C)CCC(=O)NCC[NH2+]Cc1nc(C(C)C)no1 ZINC001146719245 840353630 /nfs/dbraw/zinc/35/36/30/840353630.db2.gz MPXQVKACHGGJEI-UHFFFAOYSA-N 2 2 297.403 0.741 20 0 CCADLP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1nc(C(C)C)no1 ZINC001146719245 840353642 /nfs/dbraw/zinc/35/36/42/840353642.db2.gz MPXQVKACHGGJEI-UHFFFAOYSA-N 2 2 297.403 0.741 20 0 CCADLP COCCC[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149123503 840449978 /nfs/dbraw/zinc/44/99/78/840449978.db2.gz JTFHXHMBBJEITD-UHFFFAOYSA-N 2 2 254.334 0.003 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]Cc1cnc(C)nc1 ZINC001149123537 840479652 /nfs/dbraw/zinc/47/96/52/840479652.db2.gz LCCNMFGLUIKYGK-UHFFFAOYSA-N 2 2 288.355 0.265 20 0 CCADLP C1[C@H]2C[NH2+]C[C@H]2[N@@H+]1C1CCC([NH+]2CCOCC2)CC1 ZINC001246916972 840526259 /nfs/dbraw/zinc/52/62/59/840526259.db2.gz JMPJZQJQLZUFPV-XSCHDIRWSA-N 3 2 265.401 0.533 20 0 CCADLP C1[C@H]2C[NH2+]C[C@H]2[N@H+]1C1CCC([NH+]2CCOCC2)CC1 ZINC001246916972 840526265 /nfs/dbraw/zinc/52/62/65/840526265.db2.gz JMPJZQJQLZUFPV-XSCHDIRWSA-N 3 2 265.401 0.533 20 0 CCADLP [NH3+][C@@H]1CN(Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1O ZINC001205353235 844550798 /nfs/dbraw/zinc/55/07/98/844550798.db2.gz XLKXLEKSEPXWPK-ZIAGYGMSSA-N 2 2 258.325 0.376 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)o1 ZINC001147994570 840732125 /nfs/dbraw/zinc/73/21/25/840732125.db2.gz KCHYUELXGYSMTB-JTQLQIEISA-N 2 2 293.371 0.241 20 0 CCADLP CCC[N@H+](C)CCC(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001148570625 840832942 /nfs/dbraw/zinc/83/29/42/840832942.db2.gz ITVNSCDXXZBUER-UHFFFAOYSA-N 2 2 282.388 0.921 20 0 CCADLP CCC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001148570625 840832952 /nfs/dbraw/zinc/83/29/52/840832952.db2.gz ITVNSCDXXZBUER-UHFFFAOYSA-N 2 2 282.388 0.921 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH2+][C@H](C)c1nc(C)no1 ZINC001148655629 840867671 /nfs/dbraw/zinc/86/76/71/840867671.db2.gz QENRZBIBDRUKMJ-SNVBAGLBSA-N 2 2 283.376 0.487 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@H](C)c1nc(C)no1 ZINC001148655629 840867681 /nfs/dbraw/zinc/86/76/81/840867681.db2.gz QENRZBIBDRUKMJ-SNVBAGLBSA-N 2 2 283.376 0.487 20 0 CCADLP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]C(C)C ZINC001087104044 840959515 /nfs/dbraw/zinc/95/95/15/840959515.db2.gz MSILUYQGFHKELZ-ZIAGYGMSSA-N 2 2 294.399 0.745 20 0 CCADLP CC1(C)CC[NH2+]CCN1CCC[NH+]1CCOCC1 ZINC000712587886 841096609 /nfs/dbraw/zinc/09/66/09/841096609.db2.gz JXQHOCWBGZXGJU-UHFFFAOYSA-N 2 2 255.406 0.783 20 0 CCADLP C[C@@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)[C@@H]1CCCC[NH2+]1 ZINC000714244755 841186157 /nfs/dbraw/zinc/18/61/57/841186157.db2.gz QKIGRJJTIJGCTK-KKOKHZNYSA-N 2 2 260.403 0.682 20 0 CCADLP O=S1(=O)CCC(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)CC1 ZINC000714999029 841237788 /nfs/dbraw/zinc/23/77/88/841237788.db2.gz OPJAHAJKHYGAIQ-KBPBESRZSA-N 2 2 286.441 0.885 20 0 CCADLP O=S1(=O)CCC(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)CC1 ZINC000714999029 841237794 /nfs/dbraw/zinc/23/77/94/841237794.db2.gz OPJAHAJKHYGAIQ-KBPBESRZSA-N 2 2 286.441 0.885 20 0 CCADLP CC[N@@H+]1CC[C@@H](C[NH2+]C2CC(S(C)(=O)=O)C2)C1 ZINC000716095032 841436180 /nfs/dbraw/zinc/43/61/80/841436180.db2.gz WSRVXUNWGAPUGD-UNXYVOJBSA-N 2 2 260.403 0.493 20 0 CCADLP CC[N@H+]1CC[C@@H](C[NH2+]C2CC(S(C)(=O)=O)C2)C1 ZINC000716095032 841436182 /nfs/dbraw/zinc/43/61/82/841436182.db2.gz WSRVXUNWGAPUGD-UNXYVOJBSA-N 2 2 260.403 0.493 20 0 CCADLP CC[N@H+](CCO)C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001098354863 841639579 /nfs/dbraw/zinc/63/95/79/841639579.db2.gz MGPNGQMQPCJQHS-UHFFFAOYSA-N 2 2 294.399 0.648 20 0 CCADLP CC[N@@H+](CCO)C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001098354863 841639585 /nfs/dbraw/zinc/63/95/85/841639585.db2.gz MGPNGQMQPCJQHS-UHFFFAOYSA-N 2 2 294.399 0.648 20 0 CCADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCN(C2CC2)C(=O)C1 ZINC001171997098 841780858 /nfs/dbraw/zinc/78/08/58/841780858.db2.gz AWDCSDGQRJFKKA-AAEUAGOBSA-N 2 2 251.374 0.824 20 0 CCADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCN(C2CC2)C(=O)C1 ZINC001171997098 841780864 /nfs/dbraw/zinc/78/08/64/841780864.db2.gz AWDCSDGQRJFKKA-AAEUAGOBSA-N 2 2 251.374 0.824 20 0 CCADLP CNC(=O)N1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172127675 841835674 /nfs/dbraw/zinc/83/56/74/841835674.db2.gz JHFNZLOVNPFNSV-WDNDVIMCSA-N 2 2 280.416 0.959 20 0 CCADLP CNC(=O)N1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172127675 841835682 /nfs/dbraw/zinc/83/56/82/841835682.db2.gz JHFNZLOVNPFNSV-WDNDVIMCSA-N 2 2 280.416 0.959 20 0 CCADLP C[C@H](C[NH+]1CCCC1)[NH2+]C1C[C@@H]2COC[C@H](C1)N2C ZINC001172126528 841836383 /nfs/dbraw/zinc/83/63/83/841836383.db2.gz TYTBJRRVSQLYAT-FFHGMXDLSA-N 2 2 267.417 0.922 20 0 CCADLP O=C1CC[C@@H]2C[C@H]([NH2+]CC[NH+]3CCCC3)CCN12 ZINC001172149026 841861755 /nfs/dbraw/zinc/86/17/55/841861755.db2.gz XJABMURCWWTQSK-CHWSQXEVSA-N 2 2 251.374 0.825 20 0 CCADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172151344 841863693 /nfs/dbraw/zinc/86/36/93/841863693.db2.gz UOESMUUUVIHLHZ-XQQFMLRXSA-N 2 2 251.374 0.824 20 0 CCADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172151344 841863703 /nfs/dbraw/zinc/86/37/03/841863703.db2.gz UOESMUUUVIHLHZ-XQQFMLRXSA-N 2 2 251.374 0.824 20 0 CCADLP CC(C)OCC[C@@H](C)NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001172449065 841931464 /nfs/dbraw/zinc/93/14/64/841931464.db2.gz PGTMEBSOXDLSLG-GFCCVEGCSA-N 2 2 256.394 0.962 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](Cc2cnc3n2CC[NH2+]CC3)CC[C@H]1F ZINC001206165280 841934717 /nfs/dbraw/zinc/93/47/17/841934717.db2.gz NDFYVIBMOBHUAV-CHWSQXEVSA-N 3 2 281.379 0.290 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](Cc2cnc3n2CC[NH2+]CC3)CC[C@H]1F ZINC001206165280 841934724 /nfs/dbraw/zinc/93/47/24/841934724.db2.gz NDFYVIBMOBHUAV-CHWSQXEVSA-N 3 2 281.379 0.290 20 0 CCADLP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@@H](C)CCC(=O)OC(C)C ZINC001172746226 841965946 /nfs/dbraw/zinc/96/59/46/841965946.db2.gz MOSGAMNCIOFROZ-NWDGAFQWSA-N 2 2 288.388 0.977 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](n2cc[nH+]c2CC[NH3+])C[C@@H]1C(=O)OC ZINC001173566025 842103591 /nfs/dbraw/zinc/10/35/91/842103591.db2.gz YDXFRWFUIFNSIZ-RTCCRHLQSA-N 2 2 295.339 0.298 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173735530 842133818 /nfs/dbraw/zinc/13/38/18/842133818.db2.gz UKWDIYULUKASDF-FRRDWIJNSA-N 2 2 264.377 0.841 20 0 CCADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173735530 842133825 /nfs/dbraw/zinc/13/38/25/842133825.db2.gz UKWDIYULUKASDF-FRRDWIJNSA-N 2 2 264.377 0.841 20 0 CCADLP C[C@H](C[NH+](C)C)[NH2+][C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173729334 842159626 /nfs/dbraw/zinc/15/96/26/842159626.db2.gz DOFNCLBNUGHRGK-GRYCIOLGSA-N 2 2 252.366 0.697 20 0 CCADLP [NH3+]CCc1[nH+]ccn1[C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173732347 842162806 /nfs/dbraw/zinc/16/28/06/842162806.db2.gz FNMLMWCYSWKBOQ-QWRGUYRKSA-N 2 2 261.333 0.727 20 0 CCADLP [NH3+]CCc1[nH+]ccn1[C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173732350 842162915 /nfs/dbraw/zinc/16/29/15/842162915.db2.gz FNMLMWCYSWKBOQ-WDEREUQCSA-N 2 2 261.333 0.727 20 0 CCADLP C[C@@H](CCCC[NH2+]CCO)NC(=O)Cn1cc[nH+]c1 ZINC001176829219 842416993 /nfs/dbraw/zinc/41/69/93/842416993.db2.gz JVIPKSBNETXZIT-LBPRGKRZSA-N 2 2 268.361 0.140 20 0 CCADLP CC1(C)CO[C@H](C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)C1 ZINC001177404720 842578831 /nfs/dbraw/zinc/57/88/31/842578831.db2.gz GGBIUHDHNBOKBC-ZDUSSCGKSA-N 2 2 294.399 0.794 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]C[C@@H]1CCCOC1 ZINC001177405883 842579059 /nfs/dbraw/zinc/57/90/59/842579059.db2.gz RKFWYKBTIGPKOM-ZDUSSCGKSA-N 2 2 280.372 0.406 20 0 CCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@@H]21 ZINC001178117374 842761535 /nfs/dbraw/zinc/76/15/35/842761535.db2.gz VNTLQNCOARTGJU-RDBSUJKOSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@@H]21 ZINC001178117374 842761539 /nfs/dbraw/zinc/76/15/39/842761539.db2.gz VNTLQNCOARTGJU-RDBSUJKOSA-N 2 2 288.395 0.998 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001179617290 843028559 /nfs/dbraw/zinc/02/85/59/843028559.db2.gz DEQFOHSCRDOOPY-GVXVVHGQSA-N 2 2 280.372 0.566 20 0 CCADLP COCC[NH2+]CCCCCCNC(=O)Cc1c[nH+]cn1C ZINC001180065594 843102637 /nfs/dbraw/zinc/10/26/37/843102637.db2.gz VGRJYLSTGMEZAW-UHFFFAOYSA-N 2 2 296.415 0.875 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N(CC[NH3+])c2ccc(F)cc2)C1 ZINC001180763592 843295943 /nfs/dbraw/zinc/29/59/43/843295943.db2.gz WLWAXFBUQOEBJQ-ZDUSSCGKSA-N 2 2 281.331 0.448 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N(CC[NH3+])c2ccc(F)cc2)C1 ZINC001180763592 843295951 /nfs/dbraw/zinc/29/59/51/843295951.db2.gz WLWAXFBUQOEBJQ-ZDUSSCGKSA-N 2 2 281.331 0.448 20 0 CCADLP CC(C)c1nnc(C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001151049802 843551060 /nfs/dbraw/zinc/55/10/60/843551060.db2.gz ZIAHXCXNGVIUNP-NSHDSACASA-N 2 2 295.387 0.351 20 0 CCADLP CC(C)c1nnc(C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001151049802 843551064 /nfs/dbraw/zinc/55/10/64/843551064.db2.gz ZIAHXCXNGVIUNP-NSHDSACASA-N 2 2 295.387 0.351 20 0 CCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1F ZINC001206464022 843623959 /nfs/dbraw/zinc/62/39/59/843623959.db2.gz IQOASYWQSWDFOL-CMPLNLGQSA-N 2 2 254.305 0.586 20 0 CCADLP COc1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1F ZINC001206464022 843623963 /nfs/dbraw/zinc/62/39/63/843623963.db2.gz IQOASYWQSWDFOL-CMPLNLGQSA-N 2 2 254.305 0.586 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001181981540 843659846 /nfs/dbraw/zinc/65/98/46/843659846.db2.gz FZIHKUQRXIGXPY-ZDUSSCGKSA-N 2 2 294.399 0.876 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)[C@H]1CC[N@H+](C(C)C)C1 ZINC001181981540 843659848 /nfs/dbraw/zinc/65/98/48/843659848.db2.gz FZIHKUQRXIGXPY-ZDUSSCGKSA-N 2 2 294.399 0.876 20 0 CCADLP COC[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001182220549 843757767 /nfs/dbraw/zinc/75/77/67/843757767.db2.gz KSCJSEJKDMZNEW-NWDGAFQWSA-N 2 2 280.372 0.568 20 0 CCADLP CCOCCC[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001182220284 843757784 /nfs/dbraw/zinc/75/77/84/843757784.db2.gz HSQSWYYRHLQCHV-CYBMUJFWSA-N 2 2 294.399 0.959 20 0 CCADLP COc1ncc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1C ZINC001206512999 843824574 /nfs/dbraw/zinc/82/45/74/843824574.db2.gz WUWARTLUCSRLHM-RYUDHWBXSA-N 2 2 251.330 0.150 20 0 CCADLP COc1ncc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1C ZINC001206512999 843824581 /nfs/dbraw/zinc/82/45/81/843824581.db2.gz WUWARTLUCSRLHM-RYUDHWBXSA-N 2 2 251.330 0.150 20 0 CCADLP CC[C@@H](C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1)OC ZINC001183117077 843964934 /nfs/dbraw/zinc/96/49/34/843964934.db2.gz ZIRGKIHERYCJBE-KGLIPLIRSA-N 2 2 294.399 0.958 20 0 CCADLP CC[C@@H](C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1)OC ZINC001183117077 843964938 /nfs/dbraw/zinc/96/49/38/843964938.db2.gz ZIRGKIHERYCJBE-KGLIPLIRSA-N 2 2 294.399 0.958 20 0 CCADLP CCOCCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001187090514 844649620 /nfs/dbraw/zinc/64/96/20/844649620.db2.gz ALLHHURJMJGRCL-CYBMUJFWSA-N 2 2 294.399 0.580 20 0 CCADLP COC[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001187420195 844720754 /nfs/dbraw/zinc/72/07/54/844720754.db2.gz FDWJRWIWFKIUEK-CMPLNLGQSA-N 2 2 280.372 0.486 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC001188158023 844849949 /nfs/dbraw/zinc/84/99/49/844849949.db2.gz DIRHIHHWAZRIDM-LLVKDONJSA-N 2 2 297.428 0.569 20 0 CCADLP C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001188353706 844882489 /nfs/dbraw/zinc/88/24/89/844882489.db2.gz IECHNNIFMUAVAM-QWHCGFSZSA-N 2 2 280.372 0.235 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)O1 ZINC001205545326 845539959 /nfs/dbraw/zinc/53/99/59/845539959.db2.gz DFXKZXGTOPMOBE-WCQYABFASA-N 3 2 259.369 0.864 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC[C@](F)(C[NH3+])CC2)O1 ZINC001205545326 845539963 /nfs/dbraw/zinc/53/99/63/845539963.db2.gz DFXKZXGTOPMOBE-WCQYABFASA-N 3 2 259.369 0.864 20 0 CCADLP C[C@H]1C[N@H+](CCN2C[C@H]3CC[NH+](C)[C@H]3C2)CCO1 ZINC001194519941 846314917 /nfs/dbraw/zinc/31/49/17/846314917.db2.gz WLHNVGSHAAWLTJ-MJBXVCDLSA-N 2 2 253.390 0.343 20 0 CCADLP C[C@H]1C[N@@H+](CCN2C[C@H]3CC[NH+](C)[C@H]3C2)CCO1 ZINC001194519941 846314925 /nfs/dbraw/zinc/31/49/25/846314925.db2.gz WLHNVGSHAAWLTJ-MJBXVCDLSA-N 2 2 253.390 0.343 20 0 CCADLP C[C@H]1C[NH+](CCN2C[C@H]3CC[N@H+](C)[C@H]3C2)CCO1 ZINC001194519941 846314927 /nfs/dbraw/zinc/31/49/27/846314927.db2.gz WLHNVGSHAAWLTJ-MJBXVCDLSA-N 2 2 253.390 0.343 20 0 CCADLP C[C@H]1C[NH+](CCN2C[C@H]3CC[N@@H+](C)[C@H]3C2)CCO1 ZINC001194519941 846314936 /nfs/dbraw/zinc/31/49/36/846314936.db2.gz WLHNVGSHAAWLTJ-MJBXVCDLSA-N 2 2 253.390 0.343 20 0 CCADLP CCCn1cnc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)c1 ZINC001205690813 846486990 /nfs/dbraw/zinc/48/69/90/846486990.db2.gz XTZIZRRZLWNXRT-AWEZNQCLSA-N 2 2 266.389 0.969 20 0 CCADLP CCCn1cnc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c1 ZINC001205690813 846486994 /nfs/dbraw/zinc/48/69/94/846486994.db2.gz XTZIZRRZLWNXRT-AWEZNQCLSA-N 2 2 266.389 0.969 20 0 CCADLP CC(C)OCC[N@@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001197269555 846889478 /nfs/dbraw/zinc/88/94/78/846889478.db2.gz OUNPWESPTKXNOK-UHFFFAOYSA-N 2 2 294.399 0.912 20 0 CCADLP CCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001197792060 846966060 /nfs/dbraw/zinc/96/60/60/846966060.db2.gz IZEQQXXYGQQUKJ-ZIAGYGMSSA-N 2 2 294.399 0.314 20 0 CCADLP CCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001197792060 846966066 /nfs/dbraw/zinc/96/60/66/846966066.db2.gz IZEQQXXYGQQUKJ-ZIAGYGMSSA-N 2 2 294.399 0.314 20 0 CCADLP Cc1ccncc1C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153487793 848011233 /nfs/dbraw/zinc/01/12/33/848011233.db2.gz PTAZCWKMKARSKL-UHFFFAOYSA-N 2 2 273.340 0.493 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000717317700 848227030 /nfs/dbraw/zinc/22/70/30/848227030.db2.gz MYHWBTUSHPPNMA-BXKDBHETSA-N 2 2 274.311 0.510 20 0 CCADLP Cn1c[nH+]cc1CN1C[C@]2(CC[N@@H+](C3CC3)C2)OCC1=O ZINC001274017301 848303822 /nfs/dbraw/zinc/30/38/22/848303822.db2.gz POACCKGTAAETHV-OAHLLOKOSA-N 2 2 290.367 0.386 20 0 CCADLP Cn1c[nH+]cc1CN1C[C@]2(CC[N@H+](C3CC3)C2)OCC1=O ZINC001274017301 848303826 /nfs/dbraw/zinc/30/38/26/848303826.db2.gz POACCKGTAAETHV-OAHLLOKOSA-N 2 2 290.367 0.386 20 0 CCADLP Cc1nnc(C[NH2+]C/C=C\CNC(=O)CC[NH+](C)C)s1 ZINC001274330954 848451504 /nfs/dbraw/zinc/45/15/04/848451504.db2.gz IIHOFSNTCVTSRQ-PLNGDYQASA-N 2 2 297.428 0.560 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH+]1CCC2(C[C@H]2C(=O)NC)CC1 ZINC001274657467 848533214 /nfs/dbraw/zinc/53/32/14/848533214.db2.gz XUSYYAPYJFIRFE-KBPBESRZSA-N 2 2 297.443 0.537 20 0 CCADLP CC[NH+]1CC2(CCN2C(=O)[C@H]2CC3CC[NH+]2CC3)C1 ZINC001275079204 848629413 /nfs/dbraw/zinc/62/94/13/848629413.db2.gz JLFBYRZXEWGIAX-CYBMUJFWSA-N 2 2 263.385 0.777 20 0 CCADLP c1cn(CC[N@H+]2C[C@H]3C[C@@H](C2)N3Cc2cn[nH]c2)c[nH+]1 ZINC001275211744 848667523 /nfs/dbraw/zinc/66/75/23/848667523.db2.gz ILRQBBKRDOEUEB-OKILXGFUSA-N 2 2 272.356 0.565 20 0 CCADLP c1cn(CC[N@@H+]2C[C@H]3C[C@@H](C2)N3Cc2cn[nH]c2)c[nH+]1 ZINC001275211744 848667524 /nfs/dbraw/zinc/66/75/24/848667524.db2.gz ILRQBBKRDOEUEB-OKILXGFUSA-N 2 2 272.356 0.565 20 0 CCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1cccnc1 ZINC001275885639 848856771 /nfs/dbraw/zinc/85/67/71/848856771.db2.gz KGZBGECWWFTPSQ-GASCZTMLSA-N 2 2 260.385 0.902 20 0 CCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1cccnc1 ZINC001275885639 848856776 /nfs/dbraw/zinc/85/67/76/848856776.db2.gz KGZBGECWWFTPSQ-GASCZTMLSA-N 2 2 260.385 0.902 20 0 CCADLP C[NH+](C)CCN1C[C@@H]2CC[N@H+](Cc3ccon3)[C@@H]2C1 ZINC001276071638 848916163 /nfs/dbraw/zinc/91/61/63/848916163.db2.gz XHRIXKOUICPFOW-GXTWGEPZSA-N 2 2 264.373 0.742 20 0 CCADLP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3ccon3)[C@@H]2C1 ZINC001276071638 848916169 /nfs/dbraw/zinc/91/61/69/848916169.db2.gz XHRIXKOUICPFOW-GXTWGEPZSA-N 2 2 264.373 0.742 20 0 CCADLP COCCC[NH2+]C1CC(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001100291409 848919813 /nfs/dbraw/zinc/91/98/13/848919813.db2.gz WWJWJMUIAWMIAJ-UHFFFAOYSA-N 2 2 294.399 0.863 20 0 CCADLP OCC[C@H]1CSCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000687717464 849138322 /nfs/dbraw/zinc/13/83/22/849138322.db2.gz HVOOXVINCFMDBR-QWHCGFSZSA-N 2 2 274.430 0.243 20 0 CCADLP OCC[C@H]1CSCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000687717464 849138320 /nfs/dbraw/zinc/13/83/20/849138320.db2.gz HVOOXVINCFMDBR-QWHCGFSZSA-N 2 2 274.430 0.243 20 0 CCADLP Cc1[nH+]cc(CN2C[C@@H]3C[N@@H+](C)C[C@H](C2)O3)n1C ZINC001276305023 849201137 /nfs/dbraw/zinc/20/11/37/849201137.db2.gz WFIVFWQCQOPJPZ-BETUJISGSA-N 2 2 250.346 0.243 20 0 CCADLP Cc1[nH+]cc(CN2C[C@@H]3C[N@H+](C)C[C@H](C2)O3)n1C ZINC001276305023 849201145 /nfs/dbraw/zinc/20/11/45/849201145.db2.gz WFIVFWQCQOPJPZ-BETUJISGSA-N 2 2 250.346 0.243 20 0 CCADLP OCC[NH2+]C1CC[NH+](CCc2ccns2)CC1 ZINC000719870440 849328915 /nfs/dbraw/zinc/32/89/15/849328915.db2.gz HGHSTWRLGCBOTB-UHFFFAOYSA-N 2 2 255.387 0.732 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](CCN2CCOC2=O)C[C@@H]1C(F)(F)F ZINC000720871997 849554372 /nfs/dbraw/zinc/55/43/72/849554372.db2.gz NEFQBWWWPMGJNL-IUCAKERBSA-N 2 2 281.278 0.508 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CCN2CCOC2=O)C[C@@H]1C(F)(F)F ZINC000720871997 849554378 /nfs/dbraw/zinc/55/43/78/849554378.db2.gz NEFQBWWWPMGJNL-IUCAKERBSA-N 2 2 281.278 0.508 20 0 CCADLP CC(C)[C@H](C[NH2+]Cc1cnn(C)n1)N1CC[NH+](C)CC1 ZINC000380352118 849605629 /nfs/dbraw/zinc/60/56/29/849605629.db2.gz YMDINQCHBSEYAV-AWEZNQCLSA-N 2 2 280.420 0.177 20 0 CCADLP CCCS(=O)(=O)CC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000381028775 849701810 /nfs/dbraw/zinc/70/18/10/849701810.db2.gz SALIMUWDOYLBDJ-STQMWFEESA-N 2 2 274.430 0.872 20 0 CCADLP CCCS(=O)(=O)CC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000381028775 849701815 /nfs/dbraw/zinc/70/18/15/849701815.db2.gz SALIMUWDOYLBDJ-STQMWFEESA-N 2 2 274.430 0.872 20 0 CCADLP CCC[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000381187358 849741879 /nfs/dbraw/zinc/74/18/79/849741879.db2.gz VNKLXLZUXBWSDO-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP OCC[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCC1 ZINC000381298690 849750340 /nfs/dbraw/zinc/75/03/40/849750340.db2.gz BPVINOCSCVKIKM-MRXNPFEDSA-N 2 2 278.396 0.938 20 0 CCADLP OCC[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCC1 ZINC000381298690 849750345 /nfs/dbraw/zinc/75/03/45/849750345.db2.gz BPVINOCSCVKIKM-MRXNPFEDSA-N 2 2 278.396 0.938 20 0 CCADLP O=C(NC[C@H]1CC[N@H+]1CCCO)[C@@H]1CCn2c[nH+]cc2C1 ZINC001038409986 849882320 /nfs/dbraw/zinc/88/23/20/849882320.db2.gz BVSLTRWVRJSHFR-CHWSQXEVSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(NC[C@H]1CC[N@@H+]1CCCO)[C@@H]1CCn2c[nH+]cc2C1 ZINC001038409986 849882325 /nfs/dbraw/zinc/88/23/25/849882325.db2.gz BVSLTRWVRJSHFR-CHWSQXEVSA-N 2 2 292.383 0.018 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NC[C@@H]2CC[N@@H+]2CCCF)no1 ZINC001038440877 849899283 /nfs/dbraw/zinc/89/92/83/849899283.db2.gz CCGJHGLGTNUPLZ-NSHDSACASA-N 2 2 298.362 0.900 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NC[C@@H]2CC[N@H+]2CCCF)no1 ZINC001038440877 849899294 /nfs/dbraw/zinc/89/92/94/849899294.db2.gz CCGJHGLGTNUPLZ-NSHDSACASA-N 2 2 298.362 0.900 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001038462206 849913844 /nfs/dbraw/zinc/91/38/44/849913844.db2.gz KVPFNNFHGHTIHF-AAEUAGOBSA-N 2 2 288.351 0.519 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001038462206 849913857 /nfs/dbraw/zinc/91/38/57/849913857.db2.gz KVPFNNFHGHTIHF-AAEUAGOBSA-N 2 2 288.351 0.519 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+]2CC=C(C)C)C1 ZINC001039037605 850133462 /nfs/dbraw/zinc/13/34/62/850133462.db2.gz CJDGJVAEAALSRV-CABCVRRESA-N 2 2 295.427 0.864 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+]2CC=C(C)C)C1 ZINC001039037605 850133472 /nfs/dbraw/zinc/13/34/72/850133472.db2.gz CJDGJVAEAALSRV-CABCVRRESA-N 2 2 295.427 0.864 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+]2CC=C(C)C)C1 ZINC001039037605 850133482 /nfs/dbraw/zinc/13/34/82/850133482.db2.gz CJDGJVAEAALSRV-CABCVRRESA-N 2 2 295.427 0.864 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@H+]2CC=C(C)C)C1 ZINC001039037605 850133488 /nfs/dbraw/zinc/13/34/88/850133488.db2.gz CJDGJVAEAALSRV-CABCVRRESA-N 2 2 295.427 0.864 20 0 CCADLP CC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC000723978927 850192845 /nfs/dbraw/zinc/19/28/45/850192845.db2.gz UQCJPTBFJTWGCG-KGLIPLIRSA-N 2 2 283.416 0.555 20 0 CCADLP CC[N@@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001041855585 850512919 /nfs/dbraw/zinc/51/29/19/850512919.db2.gz LEEWTPUOGDGNIW-AWEZNQCLSA-N 2 2 262.357 0.827 20 0 CCADLP CC[N@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001041855585 850512924 /nfs/dbraw/zinc/51/29/24/850512924.db2.gz LEEWTPUOGDGNIW-AWEZNQCLSA-N 2 2 262.357 0.827 20 0 CCADLP COCC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001042248186 850602732 /nfs/dbraw/zinc/60/27/32/850602732.db2.gz SPQPKORUIGLHCJ-GXTWGEPZSA-N 2 2 292.383 0.521 20 0 CCADLP COCC[N@H+]1CC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001042248186 850602736 /nfs/dbraw/zinc/60/27/36/850602736.db2.gz SPQPKORUIGLHCJ-GXTWGEPZSA-N 2 2 292.383 0.521 20 0 CCADLP CC[C@@H](C)C[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042570557 850699509 /nfs/dbraw/zinc/69/95/09/850699509.db2.gz VJONYWWSIVGSMO-TZMCWYRMSA-N 2 2 283.416 0.506 20 0 CCADLP CC[C@@H](C)C[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042570557 850699514 /nfs/dbraw/zinc/69/95/14/850699514.db2.gz VJONYWWSIVGSMO-TZMCWYRMSA-N 2 2 283.416 0.506 20 0 CCADLP CC(C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042570716 850699873 /nfs/dbraw/zinc/69/98/73/850699873.db2.gz HNQPPZYNUOAXLT-ZDUSSCGKSA-N 2 2 269.389 0.116 20 0 CCADLP CC(C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042570716 850699875 /nfs/dbraw/zinc/69/98/75/850699875.db2.gz HNQPPZYNUOAXLT-ZDUSSCGKSA-N 2 2 269.389 0.116 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001043070093 850806283 /nfs/dbraw/zinc/80/62/83/850806283.db2.gz IYHKJNXQUDHTRE-ZFWWWQNUSA-N 2 2 295.427 0.792 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001043070093 850806288 /nfs/dbraw/zinc/80/62/88/850806288.db2.gz IYHKJNXQUDHTRE-ZFWWWQNUSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2C[NH+](CC3CCC3)C2)O1 ZINC001043066832 850807251 /nfs/dbraw/zinc/80/72/51/850807251.db2.gz GIXDVLQGCNNTJM-IUODEOHRSA-N 2 2 295.427 0.648 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2C[NH+](CC3CCC3)C2)O1 ZINC001043066832 850807260 /nfs/dbraw/zinc/80/72/60/850807260.db2.gz GIXDVLQGCNNTJM-IUODEOHRSA-N 2 2 295.427 0.648 20 0 CCADLP CCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001043628114 850912025 /nfs/dbraw/zinc/91/20/25/850912025.db2.gz JCLYAICQVMONLY-CQSZACIVSA-N 2 2 283.416 0.648 20 0 CCADLP CCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001043628114 850912029 /nfs/dbraw/zinc/91/20/29/850912029.db2.gz JCLYAICQVMONLY-CQSZACIVSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CC(N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001043674648 850921061 /nfs/dbraw/zinc/92/10/61/850921061.db2.gz PQYJTHCZSONZJV-GFCCVEGCSA-N 2 2 276.384 0.916 20 0 CCADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1C[NH+](C[C@@H]2CCCOC2)C1 ZINC001043978379 850975118 /nfs/dbraw/zinc/97/51/18/850975118.db2.gz UXGAMURWMFMGGU-LBPRGKRZSA-N 2 2 292.383 0.521 20 0 CCADLP C[C@H](O)C[NH+]1CC(N(C)C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001044194433 851036937 /nfs/dbraw/zinc/03/69/37/851036937.db2.gz IGRZOGXMWZEAJI-NSHDSACASA-N 2 2 292.383 0.285 20 0 CCADLP CCCC[NH+]1CC(N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001044190660 851037326 /nfs/dbraw/zinc/03/73/26/851037326.db2.gz KVTXKIVGUUUCQD-UHFFFAOYSA-N 2 2 264.373 0.905 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001044758264 851153037 /nfs/dbraw/zinc/15/30/37/851153037.db2.gz YENCBHZCSJUDKG-MNOVXSKESA-N 2 2 250.346 0.941 20 0 CCADLP CC[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001045276544 851229728 /nfs/dbraw/zinc/22/97/28/851229728.db2.gz YCGKSTPJWSIHQU-NSHDSACASA-N 2 2 250.346 0.563 20 0 CCADLP CC(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046214002 851425981 /nfs/dbraw/zinc/42/59/81/851425981.db2.gz AZJOFNZQKZTJAL-DZGCQCFKSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046214002 851425984 /nfs/dbraw/zinc/42/59/84/851425984.db2.gz AZJOFNZQKZTJAL-DZGCQCFKSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001046214002 851425988 /nfs/dbraw/zinc/42/59/88/851425988.db2.gz AZJOFNZQKZTJAL-DZGCQCFKSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001046214002 851425991 /nfs/dbraw/zinc/42/59/91/851425991.db2.gz AZJOFNZQKZTJAL-DZGCQCFKSA-N 2 2 283.416 0.554 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@]2(C)CC[NH+](CC3CCC3)C2)C1 ZINC001046216363 851427092 /nfs/dbraw/zinc/42/70/92/851427092.db2.gz AZKLCBOEYGBYAB-HOCLYGCPSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@]2(C)CC[NH+](CC3CCC3)C2)C1 ZINC001046216363 851427095 /nfs/dbraw/zinc/42/70/95/851427095.db2.gz AZKLCBOEYGBYAB-HOCLYGCPSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@@]2(C)CC[N@H+](CC3CCC3)C2)C1 ZINC001046216363 851427097 /nfs/dbraw/zinc/42/70/97/851427097.db2.gz AZKLCBOEYGBYAB-HOCLYGCPSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CC3CCC3)C2)C1 ZINC001046216363 851427100 /nfs/dbraw/zinc/42/71/00/851427100.db2.gz AZKLCBOEYGBYAB-HOCLYGCPSA-N 2 2 295.427 0.698 20 0 CCADLP CC(C)=CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001046217505 851427141 /nfs/dbraw/zinc/42/71/41/851427141.db2.gz HINBRQFIISROKZ-GOEBONIOSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)=CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001046217505 851427145 /nfs/dbraw/zinc/42/71/45/851427145.db2.gz HINBRQFIISROKZ-GOEBONIOSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)=CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046217505 851427149 /nfs/dbraw/zinc/42/71/49/851427149.db2.gz HINBRQFIISROKZ-GOEBONIOSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046217505 851427152 /nfs/dbraw/zinc/42/71/52/851427152.db2.gz HINBRQFIISROKZ-GOEBONIOSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046221152 851430640 /nfs/dbraw/zinc/43/06/40/851430640.db2.gz XLKKHCMUYXAADP-TZMCWYRMSA-N 2 2 269.389 0.306 20 0 CCADLP CC(C)[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046221152 851430641 /nfs/dbraw/zinc/43/06/41/851430641.db2.gz XLKKHCMUYXAADP-TZMCWYRMSA-N 2 2 269.389 0.306 20 0 CCADLP CC(C)[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001046221152 851430642 /nfs/dbraw/zinc/43/06/42/851430642.db2.gz XLKKHCMUYXAADP-TZMCWYRMSA-N 2 2 269.389 0.306 20 0 CCADLP CC(C)[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001046221152 851430643 /nfs/dbraw/zinc/43/06/43/851430643.db2.gz XLKKHCMUYXAADP-TZMCWYRMSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@]1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+](CCO)C1 ZINC001046416218 851493946 /nfs/dbraw/zinc/49/39/46/851493946.db2.gz WVXDOCPLWVJWAN-HNNXBMFYSA-N 2 2 288.351 0.749 20 0 CCADLP C[C@]1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+](CCO)C1 ZINC001046416218 851493949 /nfs/dbraw/zinc/49/39/49/851493949.db2.gz WVXDOCPLWVJWAN-HNNXBMFYSA-N 2 2 288.351 0.749 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@]1(C)CC[N@H+](CCO)C1 ZINC001046632889 851569117 /nfs/dbraw/zinc/56/91/17/851569117.db2.gz KROZIQHFAZWPAU-JMSVASOKSA-N 2 2 292.383 0.097 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@]1(C)CC[N@@H+](CCO)C1 ZINC001046632889 851569128 /nfs/dbraw/zinc/56/91/28/851569128.db2.gz KROZIQHFAZWPAU-JMSVASOKSA-N 2 2 292.383 0.097 20 0 CCADLP CC[NH2+][C@H](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001047987658 851880427 /nfs/dbraw/zinc/88/04/27/851880427.db2.gz JDKJJPLQEQJEAV-MNOVXSKESA-N 2 2 250.346 0.799 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001048423862 851956292 /nfs/dbraw/zinc/95/62/92/851956292.db2.gz VZEHVTANKGQFBF-WDEREUQCSA-N 2 2 250.346 0.656 20 0 CCADLP CC[N@H+]1C[C@H]2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001049107116 852164557 /nfs/dbraw/zinc/16/45/57/852164557.db2.gz VRIILEHGSYNIIB-UPJWGTAASA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001049107116 852164561 /nfs/dbraw/zinc/16/45/61/852164561.db2.gz VRIILEHGSYNIIB-UPJWGTAASA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1C[C@H]2CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001049107116 852164564 /nfs/dbraw/zinc/16/45/64/852164564.db2.gz VRIILEHGSYNIIB-UPJWGTAASA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001049107116 852164567 /nfs/dbraw/zinc/16/45/67/852164567.db2.gz VRIILEHGSYNIIB-UPJWGTAASA-N 2 2 276.384 0.998 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCF)O1 ZINC001097323192 852528274 /nfs/dbraw/zinc/52/82/74/852528274.db2.gz YCQKBGSKTKXGNC-XGFWRYKXSA-N 2 2 299.390 0.397 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCF)O1 ZINC001097323192 852528284 /nfs/dbraw/zinc/52/82/84/852528284.db2.gz YCQKBGSKTKXGNC-XGFWRYKXSA-N 2 2 299.390 0.397 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCF)O1 ZINC001097323192 852528287 /nfs/dbraw/zinc/52/82/87/852528287.db2.gz YCQKBGSKTKXGNC-XGFWRYKXSA-N 2 2 299.390 0.397 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCF)O1 ZINC001097323192 852528297 /nfs/dbraw/zinc/52/82/97/852528297.db2.gz YCQKBGSKTKXGNC-XGFWRYKXSA-N 2 2 299.390 0.397 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052747795 852648825 /nfs/dbraw/zinc/64/88/25/852648825.db2.gz IKWAOPAZGDTVQY-STQMWFEESA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@@H](C)C[N@H+]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052747795 852648830 /nfs/dbraw/zinc/64/88/30/852648830.db2.gz IKWAOPAZGDTVQY-STQMWFEESA-N 2 2 294.399 0.958 20 0 CCADLP Cc1nc(N[C@H](C)CNC(=O)C23CC[NH+](CC2)C3)cc[nH+]1 ZINC001097973812 853059392 /nfs/dbraw/zinc/05/93/92/853059392.db2.gz SBSDWFRBJZDHIK-LLVKDONJSA-N 2 2 289.383 0.797 20 0 CCADLP CC[NH+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001050772716 853425785 /nfs/dbraw/zinc/42/57/85/853425785.db2.gz SEAGXZMNQASVQI-UHFFFAOYSA-N 2 2 262.357 0.827 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CCO1 ZINC001051711362 853631916 /nfs/dbraw/zinc/63/19/16/853631916.db2.gz OEMDDIOJIPEGGF-GFCCVEGCSA-N 2 2 288.351 0.785 20 0 CCADLP CC(=O)C1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000394092219 854144276 /nfs/dbraw/zinc/14/42/76/854144276.db2.gz JOYVWAWSDYATKB-AWEZNQCLSA-N 2 2 254.374 0.744 20 0 CCADLP COCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001072120500 854350290 /nfs/dbraw/zinc/35/02/90/854350290.db2.gz VGIKHKVXDLXNFQ-OLZOCXBDSA-N 2 2 280.372 0.499 20 0 CCADLP COCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001072120500 854350292 /nfs/dbraw/zinc/35/02/92/854350292.db2.gz VGIKHKVXDLXNFQ-OLZOCXBDSA-N 2 2 280.372 0.499 20 0 CCADLP CC[N@@H+]1CCO[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001074327576 854711642 /nfs/dbraw/zinc/71/16/42/854711642.db2.gz VYRRINUYYZAXMK-CABCVRRESA-N 2 2 295.427 0.650 20 0 CCADLP CC[N@H+]1CCO[C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001074327576 854711644 /nfs/dbraw/zinc/71/16/44/854711644.db2.gz VYRRINUYYZAXMK-CABCVRRESA-N 2 2 295.427 0.650 20 0 CCADLP C[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001098221473 854852520 /nfs/dbraw/zinc/85/25/20/854852520.db2.gz YOKYJUOHPBIPHC-UNJBNNCHSA-N 2 2 292.383 0.065 20 0 CCADLP C[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001098221473 854852523 /nfs/dbraw/zinc/85/25/23/854852523.db2.gz YOKYJUOHPBIPHC-UNJBNNCHSA-N 2 2 292.383 0.065 20 0 CCADLP CC[NH+](CC)CC(=O)NCCN(C)c1cc[nH+]c(C)n1 ZINC001100121106 855102020 /nfs/dbraw/zinc/10/20/20/855102020.db2.gz GBXISDHXHMNDHQ-UHFFFAOYSA-N 2 2 279.388 0.679 20 0 CCADLP CCCCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001100136136 855106143 /nfs/dbraw/zinc/10/61/43/855106143.db2.gz IECGESKDSJBMFL-KGLIPLIRSA-N 2 2 294.399 0.625 20 0 CCADLP CCCCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001100136136 855106150 /nfs/dbraw/zinc/10/61/50/855106150.db2.gz IECGESKDSJBMFL-KGLIPLIRSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@@H](O)C[NH2+]C1CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001100551749 855185412 /nfs/dbraw/zinc/18/54/12/855185412.db2.gz RLNHANPBNCYQRL-PNESKVBLSA-N 2 2 280.372 0.138 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC1CC([NH2+]CC2CC2)C1 ZINC001100790106 855225331 /nfs/dbraw/zinc/22/53/31/855225331.db2.gz OXPPZWNNUJTSIP-UHFFFAOYSA-N 2 2 262.357 0.847 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC1CC([NH2+]C[C@H](C)O)C1 ZINC001100918470 855238361 /nfs/dbraw/zinc/23/83/61/855238361.db2.gz XQKIZKBHZVFMAE-GCVQQVDUSA-N 2 2 280.372 0.126 20 0 CCADLP COCCC[N@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102482815 855437752 /nfs/dbraw/zinc/43/77/52/855437752.db2.gz KISKWLQUQFRGOA-CHWSQXEVSA-N 2 2 294.399 0.673 20 0 CCADLP COCCC[N@@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102482815 855437754 /nfs/dbraw/zinc/43/77/54/855437754.db2.gz KISKWLQUQFRGOA-CHWSQXEVSA-N 2 2 294.399 0.673 20 0 CCADLP C[N@@H+](CC(=O)N1CCCC1)C[C@@H]1CCCC[NH2+]C1 ZINC000696987785 855615484 /nfs/dbraw/zinc/61/54/84/855615484.db2.gz CMGSJYQGSKALAC-CYBMUJFWSA-N 2 2 253.390 0.930 20 0 CCADLP C[N@H+](CC(=O)N1CCCC1)C[C@@H]1CCCC[NH2+]C1 ZINC000696987785 855615492 /nfs/dbraw/zinc/61/54/92/855615492.db2.gz CMGSJYQGSKALAC-CYBMUJFWSA-N 2 2 253.390 0.930 20 0 CCADLP COC1(OC)CCOC[C@@H]1[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000698382594 855623934 /nfs/dbraw/zinc/62/39/34/855623934.db2.gz XIGNVAAKJGJACS-STQMWFEESA-N 2 2 272.389 0.838 20 0 CCADLP COC1(OC)CCOC[C@@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000698382594 855623936 /nfs/dbraw/zinc/62/39/36/855623936.db2.gz XIGNVAAKJGJACS-STQMWFEESA-N 2 2 272.389 0.838 20 0 CCADLP C[NH+]1CCC(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001116351947 855751969 /nfs/dbraw/zinc/75/19/69/855751969.db2.gz NIKGYTQHHKKOII-LLVKDONJSA-N 2 2 262.357 0.656 20 0 CCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)COCC[NH3+])C1 ZINC001118201723 856198841 /nfs/dbraw/zinc/19/88/41/856198841.db2.gz RAWBJYAQWZUQAN-GFCCVEGCSA-N 2 2 280.372 0.177 20 0 CCADLP CC(C)C[NH2+]CC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC001118218200 856208299 /nfs/dbraw/zinc/20/82/99/856208299.db2.gz CTCHZOBWOKQSMR-LBPRGKRZSA-N 2 2 257.378 0.069 20 0 CCADLP CC(C)C[NH2+]CC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC001118218200 856208304 /nfs/dbraw/zinc/20/83/04/856208304.db2.gz CTCHZOBWOKQSMR-LBPRGKRZSA-N 2 2 257.378 0.069 20 0 CCADLP CN(CCC[NH3+])C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001118482842 856309517 /nfs/dbraw/zinc/30/95/17/856309517.db2.gz RRVMJNSFWCCKOI-SNVBAGLBSA-N 2 2 251.334 0.188 20 0 CCADLP Cn1ccnc1C[N@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC001120362409 857046325 /nfs/dbraw/zinc/04/63/25/857046325.db2.gz JYYGTOOPEQWTRK-JSGCOSHPSA-N 2 2 264.373 0.621 20 0 CCADLP Cn1ccnc1C[N@@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC001120362409 857046337 /nfs/dbraw/zinc/04/63/37/857046337.db2.gz JYYGTOOPEQWTRK-JSGCOSHPSA-N 2 2 264.373 0.621 20 0 CCADLP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001120455016 857076065 /nfs/dbraw/zinc/07/60/65/857076065.db2.gz ZPBNPKIDVZISRH-NWDGAFQWSA-N 2 2 262.357 0.513 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC1([NH2+]C[C@H]2CCOC2)CC1 ZINC001392925071 912268069 /nfs/dbraw/zinc/26/80/69/912268069.db2.gz YEVMFSQZZRCPQQ-CYBMUJFWSA-N 2 2 292.383 0.548 20 0 CCADLP CCOCC[N@@H+]1CC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001323339709 912282266 /nfs/dbraw/zinc/28/22/66/912282266.db2.gz IDNRXHMWUNJWSZ-AWEZNQCLSA-N 2 2 294.399 0.580 20 0 CCADLP CCOCC[N@H+]1CC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001323339709 912282284 /nfs/dbraw/zinc/28/22/84/912282284.db2.gz IDNRXHMWUNJWSZ-AWEZNQCLSA-N 2 2 294.399 0.580 20 0 CCADLP CCOCC[N@@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001323369845 912302206 /nfs/dbraw/zinc/30/22/06/912302206.db2.gz DGIXQUHEMHJMCD-GFCCVEGCSA-N 2 2 266.345 0.110 20 0 CCADLP CCOCC[N@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001323369845 912302228 /nfs/dbraw/zinc/30/22/28/912302228.db2.gz DGIXQUHEMHJMCD-GFCCVEGCSA-N 2 2 266.345 0.110 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+]CCCF)CC1 ZINC001323580696 912428063 /nfs/dbraw/zinc/42/80/63/912428063.db2.gz VGJJOSVRUCBPAN-UHFFFAOYSA-N 2 2 254.309 0.550 20 0 CCADLP C[C@]1(CNC(=O)Cc2[nH]cc[nH+]2)CCC[N@H+](CCO)C1 ZINC001393208860 912434924 /nfs/dbraw/zinc/43/49/24/912434924.db2.gz WJXQOVJVAHTEDM-CQSZACIVSA-N 2 2 280.372 0.163 20 0 CCADLP C[C@]1(CNC(=O)Cc2[nH]cc[nH+]2)CCC[N@@H+](CCO)C1 ZINC001393208860 912434939 /nfs/dbraw/zinc/43/49/39/912434939.db2.gz WJXQOVJVAHTEDM-CQSZACIVSA-N 2 2 280.372 0.163 20 0 CCADLP CC[N@@H+]1CC[C@@](O)(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001393244245 912464640 /nfs/dbraw/zinc/46/46/40/912464640.db2.gz BJMKDDVBIOSVQT-OAHLLOKOSA-N 2 2 294.399 0.500 20 0 CCADLP CC[N@H+]1CC[C@@](O)(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001393244245 912464660 /nfs/dbraw/zinc/46/46/60/912464660.db2.gz BJMKDDVBIOSVQT-OAHLLOKOSA-N 2 2 294.399 0.500 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC001324089192 912663178 /nfs/dbraw/zinc/66/31/78/912663178.db2.gz NGEQQERDDURGJG-QWHCGFSZSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCCO)CCN1C(=O)Cn1cc[nH+]c1 ZINC001324099586 912665897 /nfs/dbraw/zinc/66/58/97/912665897.db2.gz APCMDNLNVRCBBC-QWHCGFSZSA-N 2 2 280.372 0.235 20 0 CCADLP COC[C@H](C)[NH2+]CC1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001393902710 912827568 /nfs/dbraw/zinc/82/75/68/912827568.db2.gz FOMIAEUYMVDYNI-UNXYVOJBSA-N 2 2 280.372 0.472 20 0 CCADLP C[C@H](CC(=O)N1CC[C@](C)(C[NH2+]CCO)C1)n1cc[nH+]c1 ZINC001324798799 913042753 /nfs/dbraw/zinc/04/27/53/913042753.db2.gz PGJWQYUUUPYHRO-UKRRQHHQSA-N 2 2 294.399 0.655 20 0 CCADLP CC[N@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+]Cc1nc(C)no1 ZINC001394540983 913247553 /nfs/dbraw/zinc/24/75/53/913247553.db2.gz NCSOWVYWKGGRLM-NSHDSACASA-N 2 2 297.403 0.656 20 0 CCADLP CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+]Cc1nc(C)no1 ZINC001394540983 913247565 /nfs/dbraw/zinc/24/75/65/913247565.db2.gz NCSOWVYWKGGRLM-NSHDSACASA-N 2 2 297.403 0.656 20 0 CCADLP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1nccn1C ZINC001394566632 913265880 /nfs/dbraw/zinc/26/58/80/913265880.db2.gz MOPLHNRDQFEZJB-LBPRGKRZSA-N 2 2 290.371 0.253 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC001394711738 913382146 /nfs/dbraw/zinc/38/21/46/913382146.db2.gz OHKQNRXEUMDMHQ-RYUDHWBXSA-N 2 2 294.399 0.814 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)CCn1cc[nH+]c1 ZINC001496125372 891752253 /nfs/dbraw/zinc/75/22/53/891752253.db2.gz LIPXLQPHZUAJNN-VXGBXAGGSA-N 2 2 268.361 0.091 20 0 CCADLP CC[C@H](F)C[N@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001480934585 891883467 /nfs/dbraw/zinc/88/34/67/891883467.db2.gz AQVNJNWOVLZZNP-NSHDSACASA-N 2 2 270.352 0.759 20 0 CCADLP CC[C@H](F)C[N@@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001480934585 891883483 /nfs/dbraw/zinc/88/34/83/891883483.db2.gz AQVNJNWOVLZZNP-NSHDSACASA-N 2 2 270.352 0.759 20 0 CCADLP CO[C@H](C)C[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001481191724 892288355 /nfs/dbraw/zinc/28/83/55/892288355.db2.gz JFWDVMWDAIDIAR-LLVKDONJSA-N 2 2 280.372 0.568 20 0 CCADLP CO[C@H](C)C[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001481191724 892288371 /nfs/dbraw/zinc/28/83/71/892288371.db2.gz JFWDVMWDAIDIAR-LLVKDONJSA-N 2 2 280.372 0.568 20 0 CCADLP CO[C@@H](C)C[NH2+]CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001481285516 892523558 /nfs/dbraw/zinc/52/35/58/892523558.db2.gz HRNPZUPZXPFPJN-STQMWFEESA-N 2 2 282.388 0.917 20 0 CCADLP CN(CC[NH2+]CC[C@H]1CCCO1)C(=O)Cc1[nH]cc[nH+]1 ZINC001481295627 892542972 /nfs/dbraw/zinc/54/29/72/892542972.db2.gz YXBFQOHUCJKPPI-GFCCVEGCSA-N 2 2 280.372 0.569 20 0 CCADLP CC12CC(C1)CN2C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336939882 921118003 /nfs/dbraw/zinc/11/80/03/921118003.db2.gz BGYYVJGJGSHLOA-UHFFFAOYSA-N 2 2 266.389 0.603 20 0 CCADLP CC(C)COCC[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001481601668 892886671 /nfs/dbraw/zinc/88/66/71/892886671.db2.gz DNPBQFMKDKBXCR-CYBMUJFWSA-N 2 2 283.416 0.411 20 0 CCADLP CC(C)COCC[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001481601668 892886691 /nfs/dbraw/zinc/88/66/91/892886691.db2.gz DNPBQFMKDKBXCR-CYBMUJFWSA-N 2 2 283.416 0.411 20 0 CCADLP COC[C@H](C)[NH+]1CC(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001481648841 892966127 /nfs/dbraw/zinc/96/61/27/892966127.db2.gz UZEZWVICJLREPM-STQMWFEESA-N 2 2 294.399 0.917 20 0 CCADLP CC(C)OCC[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001282205677 892966226 /nfs/dbraw/zinc/96/62/26/892966226.db2.gz HGSSPAUTTZUHEA-VXGBXAGGSA-N 2 2 282.388 0.860 20 0 CCADLP COC[C@@H](C)[NH+]1CC(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001481648838 892966328 /nfs/dbraw/zinc/96/63/28/892966328.db2.gz UZEZWVICJLREPM-CHWSQXEVSA-N 2 2 294.399 0.917 20 0 CCADLP CO[C@H](C)C[NH+]1CC(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001481662034 892976784 /nfs/dbraw/zinc/97/67/84/892976784.db2.gz NWVNMHDTQFQWMX-CYBMUJFWSA-N 2 2 294.399 0.746 20 0 CCADLP CC[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]C[C@H]1CCOC1 ZINC001481818082 893182621 /nfs/dbraw/zinc/18/26/21/893182621.db2.gz FAWLWHDTFAGMQR-CHWSQXEVSA-N 2 2 294.399 0.863 20 0 CCADLP CC[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]C[C@H]1CCOC1 ZINC001481818082 893182630 /nfs/dbraw/zinc/18/26/30/893182630.db2.gz FAWLWHDTFAGMQR-CHWSQXEVSA-N 2 2 294.399 0.863 20 0 CCADLP Cc1cnc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001493498202 893413892 /nfs/dbraw/zinc/41/38/92/893413892.db2.gz AHELQOXJOHJRCI-LBPRGKRZSA-N 2 2 280.372 0.625 20 0 CCADLP Cc1cnc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001493498202 893413906 /nfs/dbraw/zinc/41/39/06/893413906.db2.gz AHELQOXJOHJRCI-LBPRGKRZSA-N 2 2 280.372 0.625 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1C[N@H+](CC2CC2)CCO1 ZINC001482195439 893500934 /nfs/dbraw/zinc/50/09/34/893500934.db2.gz LXGURWDSGKYZBU-CQSZACIVSA-N 2 2 292.383 0.500 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1C[N@@H+](CC2CC2)CCO1 ZINC001482195439 893500952 /nfs/dbraw/zinc/50/09/52/893500952.db2.gz LXGURWDSGKYZBU-CQSZACIVSA-N 2 2 292.383 0.500 20 0 CCADLP C[C@H](C[NH2+]Cc1cnns1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001482335615 893882601 /nfs/dbraw/zinc/88/26/01/893882601.db2.gz NPDLRCXMLKPUTN-SECBINFHSA-N 2 2 294.384 0.440 20 0 CCADLP CN(CC[N@H+](C)CCCO)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001482607726 894396667 /nfs/dbraw/zinc/39/66/67/894396667.db2.gz CKTGCDKXFSWVJZ-CYBMUJFWSA-N 2 2 294.399 0.218 20 0 CCADLP CN(CC[N@@H+](C)CCCO)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001482607726 894396676 /nfs/dbraw/zinc/39/66/76/894396676.db2.gz CKTGCDKXFSWVJZ-CYBMUJFWSA-N 2 2 294.399 0.218 20 0 CCADLP CCN(CC[NH2+]CCOC)C(=O)Cc1[nH]c[nH+]c1C ZINC001482965681 894733648 /nfs/dbraw/zinc/73/36/48/894733648.db2.gz JDJNFENKBJQVTN-UHFFFAOYSA-N 2 2 268.361 0.345 20 0 CCADLP C[C@H](C(=O)NC[C@]1(C)CCC[NH2+]C1)n1cc[nH+]c1 ZINC001326357542 913906654 /nfs/dbraw/zinc/90/66/54/913906654.db2.gz YQBZXMFHGBJHJO-DGCLKSJQSA-N 2 2 250.346 0.950 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C1C[NH+](CCF)C1 ZINC001506637803 894879236 /nfs/dbraw/zinc/87/92/36/894879236.db2.gz AAQMQJXEUYSSIQ-NSHDSACASA-N 2 2 268.336 0.598 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]Cc2ccon2)C1 ZINC001483094140 894892634 /nfs/dbraw/zinc/89/26/34/894892634.db2.gz XZVIGWKWBLAZIZ-JDGPPOGSSA-N 2 2 278.356 0.388 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]Cc2ccon2)C1 ZINC001483094140 894892646 /nfs/dbraw/zinc/89/26/46/894892646.db2.gz XZVIGWKWBLAZIZ-JDGPPOGSSA-N 2 2 278.356 0.388 20 0 CCADLP COCCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001483144383 895024580 /nfs/dbraw/zinc/02/45/80/895024580.db2.gz OONUWRQEEQWOTK-OLZOCXBDSA-N 2 2 294.399 0.576 20 0 CCADLP C[C@@H](C[N@H+](C)C[C@H]1CCOC1)NC(=O)Cn1cc[nH+]c1 ZINC001483427459 895560267 /nfs/dbraw/zinc/56/02/67/895560267.db2.gz NDCCDJNWRTUDEN-QWHCGFSZSA-N 2 2 280.372 0.356 20 0 CCADLP C[C@@H](C[N@@H+](C)C[C@H]1CCOC1)NC(=O)Cn1cc[nH+]c1 ZINC001483427459 895560275 /nfs/dbraw/zinc/56/02/75/895560275.db2.gz NDCCDJNWRTUDEN-QWHCGFSZSA-N 2 2 280.372 0.356 20 0 CCADLP CN(CCC[NH2+]CC1CC1)C(=O)Cc1c[nH+]cn1C ZINC001483502401 895617419 /nfs/dbraw/zinc/61/74/19/895617419.db2.gz GROPPRYQCZVNTO-UHFFFAOYSA-N 2 2 264.373 0.811 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H](C[NH2+]Cc1cccnc1)C1CC1 ZINC001483609260 895678580 /nfs/dbraw/zinc/67/85/80/895678580.db2.gz LDAZXNXTBADAFH-HNNXBMFYSA-N 2 2 299.378 0.963 20 0 CCADLP Cn1ccc(C[NH2+]C2(CNC(=O)C[NH+]3CCCC3)CC2)n1 ZINC001483790095 896054752 /nfs/dbraw/zinc/05/47/52/896054752.db2.gz BLEMSDWQMUEKMJ-UHFFFAOYSA-N 2 2 291.399 0.254 20 0 CCADLP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1C[NH+](CCOCC2CC2)C1 ZINC001483891026 896108754 /nfs/dbraw/zinc/10/87/54/896108754.db2.gz QNSSSJNOTSGYQM-CQSZACIVSA-N 2 2 295.427 0.507 20 0 CCADLP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1C[NH+](CCOCC2CC2)C1 ZINC001483891026 896108764 /nfs/dbraw/zinc/10/87/64/896108764.db2.gz QNSSSJNOTSGYQM-CQSZACIVSA-N 2 2 295.427 0.507 20 0 CCADLP CC[C@H](C)C[NH+]1CC(O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001484313625 896335176 /nfs/dbraw/zinc/33/51/76/896335176.db2.gz WJPHYRNCHWIKPS-LBPRGKRZSA-N 2 2 280.372 0.092 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[N@@H+](C)Cc1ccnn1C ZINC001492857260 914079330 /nfs/dbraw/zinc/07/93/30/914079330.db2.gz LWBXJSCZOXBEJW-UHFFFAOYSA-N 2 2 290.371 0.173 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[N@H+](C)Cc1ccnn1C ZINC001492857260 914079339 /nfs/dbraw/zinc/07/93/39/914079339.db2.gz LWBXJSCZOXBEJW-UHFFFAOYSA-N 2 2 290.371 0.173 20 0 CCADLP CC[NH2+][C@@]1(CO)CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001484857526 896637686 /nfs/dbraw/zinc/63/76/86/896637686.db2.gz YQSXFJRRYCQQOK-HNNXBMFYSA-N 2 2 294.399 0.650 20 0 CCADLP COC[C@H](C)[NH2+]CC1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001485112540 896779161 /nfs/dbraw/zinc/77/91/61/896779161.db2.gz RQIHNTVADPYMPK-HIFPTAJRSA-N 2 2 280.372 0.402 20 0 CCADLP C[C@H](CCC[NH2+]C[C@H](C)O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001485745975 897219267 /nfs/dbraw/zinc/21/92/67/897219267.db2.gz XBDYWMVWEPTZEB-MNOVXSKESA-N 2 2 268.361 0.208 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCS(=O)(=O)C2)C1 ZINC000715489006 897672637 /nfs/dbraw/zinc/67/26/37/897672637.db2.gz AXAATYAGVARQPJ-GRYCIOLGSA-N 2 2 260.403 0.636 20 0 CCADLP CO[C@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]cn1C ZINC001032733186 898030867 /nfs/dbraw/zinc/03/08/67/898030867.db2.gz NULXNOSMWUKQLD-XBFCOCLRSA-N 2 2 292.383 0.283 20 0 CCADLP CO[C@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]cn1C ZINC001032733186 898030880 /nfs/dbraw/zinc/03/08/80/898030880.db2.gz NULXNOSMWUKQLD-XBFCOCLRSA-N 2 2 292.383 0.283 20 0 CCADLP CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001032793129 898273869 /nfs/dbraw/zinc/27/38/69/898273869.db2.gz UUMSQRQWEWJYBD-RWMBFGLXSA-N 2 2 267.373 0.012 20 0 CCADLP CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001032793129 898273885 /nfs/dbraw/zinc/27/38/85/898273885.db2.gz UUMSQRQWEWJYBD-RWMBFGLXSA-N 2 2 267.373 0.012 20 0 CCADLP CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001032793129 898273892 /nfs/dbraw/zinc/27/38/92/898273892.db2.gz UUMSQRQWEWJYBD-RWMBFGLXSA-N 2 2 267.373 0.012 20 0 CCADLP CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001032793129 898273907 /nfs/dbraw/zinc/27/39/07/898273907.db2.gz UUMSQRQWEWJYBD-RWMBFGLXSA-N 2 2 267.373 0.012 20 0 CCADLP C[C@@H](CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CCF ZINC001485892501 898489557 /nfs/dbraw/zinc/48/95/57/898489557.db2.gz FQEHHENUZBUPAS-RYUDHWBXSA-N 2 2 282.363 0.852 20 0 CCADLP C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]CC1CCOCC1 ZINC001485938361 898526765 /nfs/dbraw/zinc/52/67/65/898526765.db2.gz OIWWCZXSIUWTAI-GFCCVEGCSA-N 2 2 294.399 0.815 20 0 CCADLP Cc1ncc(C[N@H+]2CC[C@@H]2CN(C)C(=O)CC[NH+](C)C)o1 ZINC001397548510 914262758 /nfs/dbraw/zinc/26/27/58/914262758.db2.gz RTMWUFGCNZSZET-CYBMUJFWSA-N 2 2 294.399 0.967 20 0 CCADLP Cc1ncc(C[N@@H+]2CC[C@@H]2CN(C)C(=O)CC[NH+](C)C)o1 ZINC001397548510 914262769 /nfs/dbraw/zinc/26/27/69/914262769.db2.gz RTMWUFGCNZSZET-CYBMUJFWSA-N 2 2 294.399 0.967 20 0 CCADLP CN(C[C@@H](O)C[NH2+]CCF)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001486312058 898785894 /nfs/dbraw/zinc/78/58/94/898785894.db2.gz SZAITGLTDBNLMR-JTQLQIEISA-N 2 2 286.351 0.066 20 0 CCADLP C[C@H](CC(=O)N1CCO[C@H](C[NH2+]CCF)C1)n1cc[nH+]c1 ZINC001327032572 914327781 /nfs/dbraw/zinc/32/77/81/914327781.db2.gz AYJHPCVHHTUNRV-CHWSQXEVSA-N 2 2 298.362 0.621 20 0 CCADLP CC(C)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001410670083 899524271 /nfs/dbraw/zinc/52/42/71/899524271.db2.gz OHGJPLCXIHYXAR-CHWSQXEVSA-N 2 2 294.399 0.168 20 0 CCADLP CC[C@H](F)C[NH2+][C@@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001410789518 899578115 /nfs/dbraw/zinc/57/81/15/899578115.db2.gz UDBFAMBNJPAPRW-WDEREUQCSA-N 2 2 286.351 0.075 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCn1cc[nH+]c1 ZINC001488645189 900327349 /nfs/dbraw/zinc/32/73/49/900327349.db2.gz NSMVGPSCFQWAKJ-ZIAGYGMSSA-N 2 2 294.399 0.841 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CCn1cc[nH+]c1 ZINC001488645189 900327357 /nfs/dbraw/zinc/32/73/57/900327357.db2.gz NSMVGPSCFQWAKJ-ZIAGYGMSSA-N 2 2 294.399 0.841 20 0 CCADLP Cc1noc([C@@H](C)[N@H+](C)CCCNC(=O)CC[NH+](C)C)n1 ZINC001490243992 900576558 /nfs/dbraw/zinc/57/65/58/900576558.db2.gz KQCPIRBZPYQCMI-LLVKDONJSA-N 2 2 297.403 0.829 20 0 CCADLP Cc1noc([C@@H](C)[N@@H+](C)CCCNC(=O)CC[NH+](C)C)n1 ZINC001490243992 900576567 /nfs/dbraw/zinc/57/65/67/900576567.db2.gz KQCPIRBZPYQCMI-LLVKDONJSA-N 2 2 297.403 0.829 20 0 CCADLP CC[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)C[C@@H](C)O ZINC001490349940 900599455 /nfs/dbraw/zinc/59/94/55/900599455.db2.gz LHGKZUTWIIVOSQ-LLVKDONJSA-N 2 2 268.361 0.161 20 0 CCADLP CC[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)C[C@@H](C)O ZINC001490349940 900599465 /nfs/dbraw/zinc/59/94/65/900599465.db2.gz LHGKZUTWIIVOSQ-LLVKDONJSA-N 2 2 268.361 0.161 20 0 CCADLP C[NH+](C)CCC(=O)NC[C@@H]([NH2+]Cc1csnn1)C1CC1 ZINC001490699004 900708713 /nfs/dbraw/zinc/70/87/13/900708713.db2.gz BMLLILNJPNNNRS-GFCCVEGCSA-N 2 2 297.428 0.474 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC001411857828 901293879 /nfs/dbraw/zinc/29/38/79/901293879.db2.gz OBGCLCGUWVIDTK-CQSZACIVSA-N 2 2 292.383 0.515 20 0 CCADLP C[C@@H]([NH2+]CCO)[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001398210395 914570245 /nfs/dbraw/zinc/57/02/45/914570245.db2.gz USVUKSJXPHTTCB-NEPJUHHUSA-N 2 2 280.372 0.304 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCCN(C(N)=O)CC1 ZINC001327575727 902210435 /nfs/dbraw/zinc/21/04/35/902210435.db2.gz RWXXKZPRQJXHFA-UHFFFAOYSA-N 2 2 265.361 0.439 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCCN(C(N)=O)CC1 ZINC001327575727 902210450 /nfs/dbraw/zinc/21/04/50/902210450.db2.gz RWXXKZPRQJXHFA-UHFFFAOYSA-N 2 2 265.361 0.439 20 0 CCADLP C[NH2+][C@@H](C)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001327569726 914624751 /nfs/dbraw/zinc/62/47/51/914624751.db2.gz KFOIGAFJYJMGOM-NWDGAFQWSA-N 2 2 264.373 0.809 20 0 CCADLP Cc1nc(C[N@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)c(C)o1 ZINC001398331318 914628995 /nfs/dbraw/zinc/62/89/95/914628995.db2.gz LUKNXQOYJHJEST-CYBMUJFWSA-N 2 2 294.399 0.934 20 0 CCADLP Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)c(C)o1 ZINC001398331318 914629005 /nfs/dbraw/zinc/62/90/05/914629005.db2.gz LUKNXQOYJHJEST-CYBMUJFWSA-N 2 2 294.399 0.934 20 0 CCADLP Cn1cc([C@@H]2CCC[N@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)nn1 ZINC001413092449 902700395 /nfs/dbraw/zinc/70/03/95/902700395.db2.gz RWKHCHPXACPORM-OCCSQVGLSA-N 2 2 293.415 0.450 20 0 CCADLP Cn1cc([C@@H]2CCC[N@@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)nn1 ZINC001413092449 902700403 /nfs/dbraw/zinc/70/04/03/902700403.db2.gz RWKHCHPXACPORM-OCCSQVGLSA-N 2 2 293.415 0.450 20 0 CCADLP Cn1cc([C@@H]2CCC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)C2)nn1 ZINC001413092449 902700411 /nfs/dbraw/zinc/70/04/11/902700411.db2.gz RWKHCHPXACPORM-OCCSQVGLSA-N 2 2 293.415 0.450 20 0 CCADLP Cn1cc([C@@H]2CCC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)C2)nn1 ZINC001413092449 902700421 /nfs/dbraw/zinc/70/04/21/902700421.db2.gz RWKHCHPXACPORM-OCCSQVGLSA-N 2 2 293.415 0.450 20 0 CCADLP O=C(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)N1CCCO1 ZINC001413249672 902814492 /nfs/dbraw/zinc/81/44/92/902814492.db2.gz BKEUSSPRXNXYDP-AWEZNQCLSA-N 2 2 297.399 0.383 20 0 CCADLP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCCO ZINC001491504265 903628327 /nfs/dbraw/zinc/62/83/27/903628327.db2.gz JPZFKRQEOIBUML-SNVBAGLBSA-N 2 2 276.340 0.653 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@H]3CCn4cc[nH+]c4C3)C[C@@H]21 ZINC001413798522 903664942 /nfs/dbraw/zinc/66/49/42/903664942.db2.gz RXQQOADLGJHEJJ-AGIUHOORSA-N 2 2 289.383 0.543 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)N[C@H]3CCn4cc[nH+]c4C3)C[C@@H]21 ZINC001413798522 903664959 /nfs/dbraw/zinc/66/49/59/903664959.db2.gz RXQQOADLGJHEJJ-AGIUHOORSA-N 2 2 289.383 0.543 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H](C[NH2+]CCCF)C1 ZINC001280660401 904136578 /nfs/dbraw/zinc/13/65/78/904136578.db2.gz XPOJCSBDGSYNCA-LBPRGKRZSA-N 2 2 298.362 0.437 20 0 CCADLP CC[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001316622943 904571983 /nfs/dbraw/zinc/57/19/83/904571983.db2.gz QSWWAQMBSXRKCE-PHIMTYICSA-N 2 2 250.346 0.467 20 0 CCADLP C[C@H](CCC[NH2+]CCO)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001283202366 904755552 /nfs/dbraw/zinc/75/55/52/904755552.db2.gz HQFLDUFAWBPVCR-CHWSQXEVSA-N 2 2 294.399 0.312 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001377412660 904861284 /nfs/dbraw/zinc/86/12/84/904861284.db2.gz HMPOUKDNABWJKP-OCCSQVGLSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@@H](O)C[N@H+]1CCC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001377412660 904861295 /nfs/dbraw/zinc/86/12/95/904861295.db2.gz HMPOUKDNABWJKP-OCCSQVGLSA-N 2 2 294.399 0.314 20 0 CCADLP CCCN(C(=O)C[NH+](C)CCC)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001377663398 905085742 /nfs/dbraw/zinc/08/57/42/905085742.db2.gz QCFBINWCEGIJMO-ZDUSSCGKSA-N 2 2 298.431 0.126 20 0 CCADLP CCCN(C(=O)C[NH+](C)CCC)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001377663398 905085761 /nfs/dbraw/zinc/08/57/61/905085761.db2.gz QCFBINWCEGIJMO-ZDUSSCGKSA-N 2 2 298.431 0.126 20 0 CCADLP CCCN(C(=O)C[N@H+](C)CCC)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001377663398 905085780 /nfs/dbraw/zinc/08/57/80/905085780.db2.gz QCFBINWCEGIJMO-ZDUSSCGKSA-N 2 2 298.431 0.126 20 0 CCADLP CCCN(C(=O)C[N@@H+](C)CCC)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001377663398 905085798 /nfs/dbraw/zinc/08/57/98/905085798.db2.gz QCFBINWCEGIJMO-ZDUSSCGKSA-N 2 2 298.431 0.126 20 0 CCADLP CCOCC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001284218853 905200320 /nfs/dbraw/zinc/20/03/20/905200320.db2.gz GWEVNGSKHMOTCL-OLZOCXBDSA-N 2 2 294.399 0.863 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)[C@H](C)[NH2+]CCO)c[nH+]1 ZINC001377899075 905229980 /nfs/dbraw/zinc/22/99/80/905229980.db2.gz WAMVTKVLLNYTEC-RYUDHWBXSA-N 2 2 282.388 0.402 20 0 CCADLP Cc1nocc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001378042241 905366786 /nfs/dbraw/zinc/36/67/86/905366786.db2.gz MDJGCSCCCCDOOL-KBPBESRZSA-N 2 2 292.383 0.720 20 0 CCADLP Cc1nocc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001378042241 905366802 /nfs/dbraw/zinc/36/68/02/905366802.db2.gz MDJGCSCCCCDOOL-KBPBESRZSA-N 2 2 292.383 0.720 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC1(CCO)C[NH+](CC2CCC2)C1 ZINC001378272612 905552838 /nfs/dbraw/zinc/55/28/38/905552838.db2.gz FOFHAAPSYFLOHR-CQSZACIVSA-N 2 2 295.427 0.434 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NC1(CCO)C[NH+](CC2CCC2)C1 ZINC001378272612 905552852 /nfs/dbraw/zinc/55/28/52/905552852.db2.gz FOFHAAPSYFLOHR-CQSZACIVSA-N 2 2 295.427 0.434 20 0 CCADLP CC[C@H](C)C[N@@H+]1CCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001378666025 905743718 /nfs/dbraw/zinc/74/37/18/905743718.db2.gz FSMGCSAIRUZBGA-UONOGXRCSA-N 2 2 294.399 0.746 20 0 CCADLP CC[C@H](C)C[N@H+]1CCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001378666025 905743733 /nfs/dbraw/zinc/74/37/33/905743733.db2.gz FSMGCSAIRUZBGA-UONOGXRCSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@@H](C[NH2+]C[C@@H]1CCCCO1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001378840865 905849967 /nfs/dbraw/zinc/84/99/67/905849967.db2.gz ZSLCEPPGQBVNJT-STQMWFEESA-N 2 2 294.399 0.958 20 0 CCADLP C[C@@H](C[NH2+]Cc1nccs1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001378873184 905864549 /nfs/dbraw/zinc/86/45/49/905864549.db2.gz QTGHSVZDEQBNPP-NSHDSACASA-N 2 2 293.396 0.976 20 0 CCADLP C[C@@H]([NH2+]CCO)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001378909782 905883015 /nfs/dbraw/zinc/88/30/15/905883015.db2.gz HRFZDMPHXJHIGC-NEPJUHHUSA-N 2 2 280.372 0.161 20 0 CCADLP O[C@@H](CN1CCn2c[nH+]cc2C1)C[NH+]1CCCC1 ZINC001333592928 906057288 /nfs/dbraw/zinc/05/72/88/906057288.db2.gz QYHGCQOCNANMQJ-CYBMUJFWSA-N 2 2 250.346 0.155 20 0 CCADLP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1csnn1)[NH+](C)C ZINC001379263469 906104368 /nfs/dbraw/zinc/10/43/68/906104368.db2.gz ZDOHQJFPHBWEQH-ZYHUDNBSSA-N 2 2 299.444 0.815 20 0 CCADLP CC(C)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001379439848 906243410 /nfs/dbraw/zinc/24/34/10/906243410.db2.gz VQDCFRDUJDQWNF-OLZOCXBDSA-N 2 2 294.399 0.168 20 0 CCADLP C[C@@H](C[NH2+]Cc1ccnn1C)NC(=O)CCn1cc[nH+]c1 ZINC001379530219 906327149 /nfs/dbraw/zinc/32/71/49/906327149.db2.gz PMHDYNNCUFCKNK-LBPRGKRZSA-N 2 2 290.371 0.301 20 0 CCADLP O=S1(=O)CCC[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC001334858867 906465110 /nfs/dbraw/zinc/46/51/10/906465110.db2.gz KOXRPXOJINTNPS-QWRGUYRKSA-N 2 2 269.370 0.365 20 0 CCADLP C[N@H+](CC(=O)NCC1([NH2+]Cc2cnon2)CC1)C1CCC1 ZINC001380101739 906636209 /nfs/dbraw/zinc/63/62/09/906636209.db2.gz LFDDEXWHFLQGCG-UHFFFAOYSA-N 2 2 293.371 0.292 20 0 CCADLP C[N@@H+](CC(=O)NCC1([NH2+]Cc2cnon2)CC1)C1CCC1 ZINC001380101739 906636243 /nfs/dbraw/zinc/63/62/43/906636243.db2.gz LFDDEXWHFLQGCG-UHFFFAOYSA-N 2 2 293.371 0.292 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCC[C@@](CO)([NH2+]CCF)C1 ZINC001381044529 907052406 /nfs/dbraw/zinc/05/24/06/907052406.db2.gz JAHZQXNJQGDOLG-CQSZACIVSA-N 2 2 298.362 0.186 20 0 CCADLP C[C@@H]1C[N@H+](CCNc2nccnc2C[NH3+])CCO1 ZINC001337756159 921290694 /nfs/dbraw/zinc/29/06/94/921290694.db2.gz CHLWJCYOLTYMPA-SNVBAGLBSA-N 2 2 251.334 0.068 20 0 CCADLP C[C@@H]1C[N@@H+](CCNc2nccnc2C[NH3+])CCO1 ZINC001337756159 921290699 /nfs/dbraw/zinc/29/06/99/921290699.db2.gz CHLWJCYOLTYMPA-SNVBAGLBSA-N 2 2 251.334 0.068 20 0 CCADLP Cc1nnc([C@H](C)[NH2+][C@H](C)CNC(=O)CC[NH+](C)C)o1 ZINC001491568620 907437346 /nfs/dbraw/zinc/43/73/46/907437346.db2.gz LHULWGPEZQKIFK-ZJUUUORDSA-N 2 2 283.376 0.485 20 0 CCADLP CC[C@H](C[NH2+][C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1)OC ZINC001491625017 907458690 /nfs/dbraw/zinc/45/86/90/907458690.db2.gz QFQHUUVKVLPTEO-WDEREUQCSA-N 2 2 268.361 0.472 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001381963586 907474906 /nfs/dbraw/zinc/47/49/06/907474906.db2.gz SBWYKLPYWDBPJW-YRGRVCCFSA-N 2 2 294.399 0.862 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001381963586 907474922 /nfs/dbraw/zinc/47/49/22/907474922.db2.gz SBWYKLPYWDBPJW-YRGRVCCFSA-N 2 2 294.399 0.862 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]([NH2+]C[C@H](C)O)C(C)C ZINC001382005246 907491786 /nfs/dbraw/zinc/49/17/86/907491786.db2.gz SPLGOYCYXYVLJA-WCQYABFASA-N 2 2 296.415 0.762 20 0 CCADLP COCC[NH2+]C[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001491839268 907599740 /nfs/dbraw/zinc/59/97/40/907599740.db2.gz VKTPEXBWUJXZJU-ZIAGYGMSSA-N 2 2 294.399 0.919 20 0 CCADLP CC[N@H+](CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)CCOC ZINC001492977405 907818147 /nfs/dbraw/zinc/81/81/47/907818147.db2.gz HHZIWNZGYWSBBO-ZDUSSCGKSA-N 2 2 294.399 0.530 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)CCOC ZINC001492977405 907818164 /nfs/dbraw/zinc/81/81/64/907818164.db2.gz HHZIWNZGYWSBBO-ZDUSSCGKSA-N 2 2 294.399 0.530 20 0 CCADLP C[C@@H]1CC[C@@H](C[N@H+](C)CCNC(=O)CCc2c[nH]c[nH+]2)O1 ZINC001492271257 907822072 /nfs/dbraw/zinc/82/20/72/907822072.db2.gz IIBKUQRMBYHNEN-OCCSQVGLSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@@H]1CC[C@@H](C[N@@H+](C)CCNC(=O)CCc2c[nH]c[nH+]2)O1 ZINC001492271257 907822087 /nfs/dbraw/zinc/82/20/87/907822087.db2.gz IIBKUQRMBYHNEN-OCCSQVGLSA-N 2 2 294.399 0.958 20 0 CCADLP C[NH+]1CCN(C2CCN(C(=O)CCCCC[NH3+])CC2)CC1 ZINC001336711995 907965670 /nfs/dbraw/zinc/96/56/70/907965670.db2.gz UYDLSVMZXLISPY-UHFFFAOYSA-N 2 2 296.459 0.744 20 0 CCADLP C[NH+](C)Cc1csc(CNC(=O)NC/C=C/C[NH3+])n1 ZINC001336921269 908026608 /nfs/dbraw/zinc/02/66/08/908026608.db2.gz GCHVBUVXZBVYCF-ONEGZZNKSA-N 2 2 283.401 0.519 20 0 CCADLP C[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C(C)(C)C1 ZINC001303990301 908134449 /nfs/dbraw/zinc/13/44/49/908134449.db2.gz WATAFAYHEFRXCW-SNVBAGLBSA-N 2 2 250.346 0.799 20 0 CCADLP C[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C(C)(C)C1 ZINC001303990301 908134460 /nfs/dbraw/zinc/13/44/60/908134460.db2.gz WATAFAYHEFRXCW-SNVBAGLBSA-N 2 2 250.346 0.799 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)C(C)(C)O ZINC001307523426 908320376 /nfs/dbraw/zinc/32/03/76/908320376.db2.gz KJBLYBNICLOJCJ-FRRDWIJNSA-N 2 2 256.390 0.677 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)C(C)(C)O ZINC001307523426 908320391 /nfs/dbraw/zinc/32/03/91/908320391.db2.gz KJBLYBNICLOJCJ-FRRDWIJNSA-N 2 2 256.390 0.677 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)C(C)(C)O ZINC001307523426 908320407 /nfs/dbraw/zinc/32/04/07/908320407.db2.gz KJBLYBNICLOJCJ-FRRDWIJNSA-N 2 2 256.390 0.677 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)C(C)(C)O ZINC001307523426 908320420 /nfs/dbraw/zinc/32/04/20/908320420.db2.gz KJBLYBNICLOJCJ-FRRDWIJNSA-N 2 2 256.390 0.677 20 0 CCADLP C[C@H](O)[C@H](C)[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001308046068 908371493 /nfs/dbraw/zinc/37/14/93/908371493.db2.gz HELNWIONCBKIRC-OBJOEFQTSA-N 2 2 256.390 0.989 20 0 CCADLP C[C@H](O)[C@H](C)[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001308046068 908371505 /nfs/dbraw/zinc/37/15/05/908371505.db2.gz HELNWIONCBKIRC-OBJOEFQTSA-N 2 2 256.390 0.989 20 0 CCADLP C[NH2+]CCOCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001341459363 908598017 /nfs/dbraw/zinc/59/80/17/908598017.db2.gz ZVTRWJXDXWNORQ-VXGBXAGGSA-N 2 2 280.372 0.218 20 0 CCADLP C[C@@H](NC(=O)NCCc1cn(C)c[nH+]1)C1=CC[N@H+](C)CC1 ZINC001312479597 908603135 /nfs/dbraw/zinc/60/31/35/908603135.db2.gz FTDLDGYRBFBRCD-GFCCVEGCSA-N 2 2 291.399 0.912 20 0 CCADLP C[C@@H](NC(=O)NCCc1cn(C)c[nH+]1)C1=CC[N@@H+](C)CC1 ZINC001312479597 908603142 /nfs/dbraw/zinc/60/31/42/908603142.db2.gz FTDLDGYRBFBRCD-GFCCVEGCSA-N 2 2 291.399 0.912 20 0 CCADLP COCCCC[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317089688 908735588 /nfs/dbraw/zinc/73/55/88/908735588.db2.gz HHLJAQQCOYXBLD-HAQNSBGRSA-N 2 2 280.372 0.616 20 0 CCADLP C[C@H]1CC[N@H+](CC[NH2+]C[C@@H](O)CCC2(O)CCC2)C1 ZINC001338493289 921486332 /nfs/dbraw/zinc/48/63/32/921486332.db2.gz ZDZADEHIWUKYME-KBPBESRZSA-N 2 2 270.417 0.974 20 0 CCADLP C[C@H]1CC[N@@H+](CC[NH2+]C[C@@H](O)CCC2(O)CCC2)C1 ZINC001338493289 921486337 /nfs/dbraw/zinc/48/63/37/921486337.db2.gz ZDZADEHIWUKYME-KBPBESRZSA-N 2 2 270.417 0.974 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001388740347 909568903 /nfs/dbraw/zinc/56/89/03/909568903.db2.gz ZDBUYJSNJIAWJY-FDYHWXHSSA-N 2 2 294.399 0.454 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001388740347 909568911 /nfs/dbraw/zinc/56/89/11/909568911.db2.gz ZDBUYJSNJIAWJY-FDYHWXHSSA-N 2 2 294.399 0.454 20 0 CCADLP CC[N@H+](CCO)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001388782452 909583912 /nfs/dbraw/zinc/58/39/12/909583912.db2.gz SKHODQWOPOSNFG-AWEZNQCLSA-N 2 2 294.399 0.578 20 0 CCADLP CC[N@@H+](CCO)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001388782452 909583927 /nfs/dbraw/zinc/58/39/27/909583927.db2.gz SKHODQWOPOSNFG-AWEZNQCLSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@H](O)CCC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001389491769 909937171 /nfs/dbraw/zinc/93/71/71/909937171.db2.gz ZTAMJWYMFOUQGD-KBPBESRZSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@H](O)CCC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001389491769 909937180 /nfs/dbraw/zinc/93/71/80/909937180.db2.gz ZTAMJWYMFOUQGD-KBPBESRZSA-N 2 2 294.399 0.625 20 0 CCADLP COCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001319245057 910054508 /nfs/dbraw/zinc/05/45/08/910054508.db2.gz KQRCLCWEBRUZIS-YNEHKIRRSA-N 2 2 294.399 0.512 20 0 CCADLP C[C@H](O)CCC[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC001319559336 910205494 /nfs/dbraw/zinc/20/54/94/910205494.db2.gz DQJHNMIZPNJEHM-STQMWFEESA-N 2 2 296.415 0.560 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001319690659 910260630 /nfs/dbraw/zinc/26/06/30/910260630.db2.gz JWSLHTRGLVFPAY-OCCSQVGLSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001319690659 910260641 /nfs/dbraw/zinc/26/06/41/910260641.db2.gz JWSLHTRGLVFPAY-OCCSQVGLSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001319710188 910266047 /nfs/dbraw/zinc/26/60/47/910266047.db2.gz SELRQMLQDAHUIG-WCQYABFASA-N 2 2 280.372 0.425 20 0 CCADLP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H]1CCC[N@H+](CCCO)C1 ZINC001390194896 910266488 /nfs/dbraw/zinc/26/64/88/910266488.db2.gz OGMPGRFTPUYKCN-STQMWFEESA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H]1CCC[N@@H+](CCCO)C1 ZINC001390194896 910266507 /nfs/dbraw/zinc/26/65/07/910266507.db2.gz OGMPGRFTPUYKCN-STQMWFEESA-N 2 2 294.399 0.551 20 0 CCADLP Cc1ncccc1C[NH2+][C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001390484286 910457895 /nfs/dbraw/zinc/45/78/95/910457895.db2.gz OEGBFIVUTOWCSJ-LLVKDONJSA-N 2 2 287.367 0.950 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCC[C@H]1C[NH2+]CCO ZINC001320135218 910479392 /nfs/dbraw/zinc/47/93/92/910479392.db2.gz UTPVZQDWBNJDNQ-WCQYABFASA-N 2 2 280.372 0.209 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCC[C@H]1C[NH2+]CCO ZINC001320135218 910479411 /nfs/dbraw/zinc/47/94/11/910479411.db2.gz UTPVZQDWBNJDNQ-WCQYABFASA-N 2 2 280.372 0.209 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cnon1 ZINC001390546142 910507161 /nfs/dbraw/zinc/50/71/61/910507161.db2.gz ZMYTYHDLTHKZEH-AAEUAGOBSA-N 2 2 295.387 0.538 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cnon1 ZINC001390546142 910507171 /nfs/dbraw/zinc/50/71/71/910507171.db2.gz ZMYTYHDLTHKZEH-AAEUAGOBSA-N 2 2 295.387 0.538 20 0 CCADLP COCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001417748282 921588948 /nfs/dbraw/zinc/58/89/48/921588948.db2.gz RBFCUPQYKCZAHV-GFCCVEGCSA-N 2 2 294.399 0.866 20 0 CCADLP COCC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001417748282 921588955 /nfs/dbraw/zinc/58/89/55/921588955.db2.gz RBFCUPQYKCZAHV-GFCCVEGCSA-N 2 2 294.399 0.866 20 0 CCADLP C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC[C@@H]1CCOC1 ZINC001390694006 910592866 /nfs/dbraw/zinc/59/28/66/910592866.db2.gz BKPAWVSTWIQSCX-QWHCGFSZSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@@H](O)CCC[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001417758474 921598648 /nfs/dbraw/zinc/59/86/48/921598648.db2.gz VTBDIRSZRHTCOF-KGLIPLIRSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@@H](O)CCC[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001417758474 921598659 /nfs/dbraw/zinc/59/86/59/921598659.db2.gz VTBDIRSZRHTCOF-KGLIPLIRSA-N 2 2 294.399 0.577 20 0 CCADLP Cc1cc(C[NH2+]CC[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)on1 ZINC001320561633 910738216 /nfs/dbraw/zinc/73/82/16/910738216.db2.gz JKDYWQAJQDNQGY-JTQLQIEISA-N 2 2 291.355 0.933 20 0 CCADLP CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C[C@@H](C)O ZINC001390966869 910799855 /nfs/dbraw/zinc/79/98/55/910799855.db2.gz UCKUOFPPECQKDH-JHJVBQTASA-N 2 2 294.399 0.343 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C[C@@H](C)O ZINC001390966869 910799869 /nfs/dbraw/zinc/79/98/69/910799869.db2.gz UCKUOFPPECQKDH-JHJVBQTASA-N 2 2 294.399 0.343 20 0 CCADLP CC[C@H](C(=O)N(CC)CC[NH2+]Cc1nnc(C)[nH]1)[NH+](C)C ZINC001320767150 910854018 /nfs/dbraw/zinc/85/40/18/910854018.db2.gz PTVHMZDMMQIOHA-GFCCVEGCSA-N 2 2 296.419 0.391 20 0 CCADLP CC[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2cnon2)C1)[NH+](C)C ZINC001391108257 910883765 /nfs/dbraw/zinc/88/37/65/910883765.db2.gz VWVOFFGBPBOYSB-WCQYABFASA-N 2 2 295.387 0.348 20 0 CCADLP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2cnon2)C1)[NH+](C)C ZINC001391108257 910883767 /nfs/dbraw/zinc/88/37/67/910883767.db2.gz VWVOFFGBPBOYSB-WCQYABFASA-N 2 2 295.387 0.348 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001417786415 921615041 /nfs/dbraw/zinc/61/50/41/921615041.db2.gz JTBHBNVYWQGOQN-GVXVVHGQSA-N 2 2 280.372 0.208 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001417786415 921615052 /nfs/dbraw/zinc/61/50/52/921615052.db2.gz JTBHBNVYWQGOQN-GVXVVHGQSA-N 2 2 280.372 0.208 20 0 CCADLP CC(C)[C@@H](C(=O)NC1C[NH+](C[C@H](C)O)C1)[NH+]1CCCCC1 ZINC001391459588 911148799 /nfs/dbraw/zinc/14/87/99/911148799.db2.gz HQGJIKFSFPVZSS-ZFWWWQNUSA-N 2 2 297.443 0.678 20 0 CCADLP CC(C)C[NH2+]C/C=C\CNC(=O)Cc1c[nH+]cn1C ZINC001321340686 911244443 /nfs/dbraw/zinc/24/44/43/911244443.db2.gz YFJNJJRUSYBXNL-PLNGDYQASA-N 2 2 264.373 0.881 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CCC[C@H](C)O)C1 ZINC001391593642 911247347 /nfs/dbraw/zinc/24/73/47/911247347.db2.gz PVCJETQHTNXAPS-WCQYABFASA-N 2 2 294.399 0.612 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CCC[C@H](C)O)C1 ZINC001391593642 911247365 /nfs/dbraw/zinc/24/73/65/911247365.db2.gz PVCJETQHTNXAPS-WCQYABFASA-N 2 2 294.399 0.612 20 0 CCADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cn1cnnn1 ZINC001339094645 921652945 /nfs/dbraw/zinc/65/29/45/921652945.db2.gz PILCPKCOJFUALP-UHFFFAOYSA-N 2 2 284.283 0.201 20 0 CCADLP CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)[NH2+]Cc1csnn1 ZINC001391733989 911369979 /nfs/dbraw/zinc/36/99/79/911369979.db2.gz CWKZSJZINQIHIW-ZYHUDNBSSA-N 2 2 299.444 0.863 20 0 CCADLP Cc1ncc(C[NH2+]C[C@H](C)N(C)C(=O)Cc2c[nH+]c[nH]2)o1 ZINC001392105825 911580236 /nfs/dbraw/zinc/58/02/36/911580236.db2.gz LRHZMZMECZOCOK-JTQLQIEISA-N 2 2 291.355 0.885 20 0 CCADLP CC[N@H+](C)CCC(=O)N(C)CC[NH+](C)Cc1ccnn1C ZINC001392315008 911725402 /nfs/dbraw/zinc/72/54/02/911725402.db2.gz HACDTHODNDCFQP-UHFFFAOYSA-N 2 2 295.431 0.652 20 0 CCADLP CC[N@@H+](C)CCC(=O)N(C)CC[NH+](C)Cc1ccnn1C ZINC001392315008 911725423 /nfs/dbraw/zinc/72/54/23/911725423.db2.gz HACDTHODNDCFQP-UHFFFAOYSA-N 2 2 295.431 0.652 20 0 CCADLP CC[NH+](C)CCC(=O)N(C)CC[N@H+](C)Cc1ccnn1C ZINC001392315008 911725443 /nfs/dbraw/zinc/72/54/43/911725443.db2.gz HACDTHODNDCFQP-UHFFFAOYSA-N 2 2 295.431 0.652 20 0 CCADLP CC[NH+](C)CCC(=O)N(C)CC[N@@H+](C)Cc1ccnn1C ZINC001392315008 911725462 /nfs/dbraw/zinc/72/54/62/911725462.db2.gz HACDTHODNDCFQP-UHFFFAOYSA-N 2 2 295.431 0.652 20 0 CCADLP Cc1nonc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001392500879 911865950 /nfs/dbraw/zinc/86/59/50/911865950.db2.gz GSPVSGKSQLZFKK-BXKDBHETSA-N 2 2 281.360 0.067 20 0 CCADLP Cc1nonc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001392500879 911865966 /nfs/dbraw/zinc/86/59/66/911865966.db2.gz GSPVSGKSQLZFKK-BXKDBHETSA-N 2 2 281.360 0.067 20 0 CCADLP Cc1cnc(C[NH2+]CCCN(C)C(=O)Cc2c[nH+]c[nH]2)o1 ZINC001322712460 911925724 /nfs/dbraw/zinc/92/57/24/911925724.db2.gz ZZPBEVPPTRKQPG-UHFFFAOYSA-N 2 2 291.355 0.887 20 0 CCADLP COC[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001392713775 912108236 /nfs/dbraw/zinc/10/82/36/912108236.db2.gz OPLQAABXCQOXJH-GHMZBOCLSA-N 2 2 282.388 0.732 20 0 CCADLP COC[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001392713775 912108240 /nfs/dbraw/zinc/10/82/40/912108240.db2.gz OPLQAABXCQOXJH-GHMZBOCLSA-N 2 2 282.388 0.732 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001392848104 912196314 /nfs/dbraw/zinc/19/63/14/912196314.db2.gz OQINMGVIHOAPSU-STQMWFEESA-N 2 2 294.399 0.578 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001392848104 912196329 /nfs/dbraw/zinc/19/63/29/912196329.db2.gz OQINMGVIHOAPSU-STQMWFEESA-N 2 2 294.399 0.578 20 0 CCADLP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1cnsn1 ZINC001399011883 914997310 /nfs/dbraw/zinc/99/73/10/914997310.db2.gz BXOFRNCYLQQWST-QWRGUYRKSA-N 2 2 297.428 0.474 20 0 CCADLP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1cnsn1 ZINC001399011883 914997327 /nfs/dbraw/zinc/99/73/27/914997327.db2.gz BXOFRNCYLQQWST-QWRGUYRKSA-N 2 2 297.428 0.474 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+]CC[C@H]1CCCO1 ZINC001399103544 915049293 /nfs/dbraw/zinc/04/92/93/915049293.db2.gz CLHIPYPCNJSKMK-WCQYABFASA-N 2 2 294.399 0.924 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[N@H+](C)CC[C@H]1CCOC1 ZINC001399644212 915282652 /nfs/dbraw/zinc/28/26/52/915282652.db2.gz RBSYEJRBYSJRRG-ZDUSSCGKSA-N 2 2 294.399 0.437 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[N@@H+](C)CC[C@H]1CCOC1 ZINC001399644212 915282672 /nfs/dbraw/zinc/28/26/72/915282672.db2.gz RBSYEJRBYSJRRG-ZDUSSCGKSA-N 2 2 294.399 0.437 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)[nH]1 ZINC001400067255 915539967 /nfs/dbraw/zinc/53/99/67/915539967.db2.gz IOTSMRCXLPMKBI-JQWIXIFHSA-N 2 2 294.403 0.316 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCN(C)C(=O)[C@@H]2CCC[N@H+]2C)[nH]1 ZINC001400067255 915539980 /nfs/dbraw/zinc/53/99/80/915539980.db2.gz IOTSMRCXLPMKBI-JQWIXIFHSA-N 2 2 294.403 0.316 20 0 CCADLP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CCOC)C1 ZINC001400755586 915911903 /nfs/dbraw/zinc/91/19/03/915911903.db2.gz ARVDYBVJRBTCPU-CYBMUJFWSA-N 2 2 280.372 0.521 20 0 CCADLP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CCOC)C1 ZINC001400755586 915911917 /nfs/dbraw/zinc/91/19/17/915911917.db2.gz ARVDYBVJRBTCPU-CYBMUJFWSA-N 2 2 280.372 0.521 20 0 CCADLP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CCO ZINC001400858482 915962757 /nfs/dbraw/zinc/96/27/57/915962757.db2.gz OAFMLOUOVGEXIK-QJPTWQEYSA-N 2 2 280.372 0.000 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+](CCCF)CCO1 ZINC001401158274 916073110 /nfs/dbraw/zinc/07/31/10/916073110.db2.gz FLLPCIGSCWGZRO-CYBMUJFWSA-N 2 2 298.362 0.368 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@@H+](CCCF)CCO1 ZINC001401158274 916073126 /nfs/dbraw/zinc/07/31/26/916073126.db2.gz FLLPCIGSCWGZRO-CYBMUJFWSA-N 2 2 298.362 0.368 20 0 CCADLP Cc1noc([C@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001401635971 916412726 /nfs/dbraw/zinc/41/27/26/916412726.db2.gz CDIWVHSWBCFOGO-JFGNBEQYSA-N 2 2 295.387 0.628 20 0 CCADLP Cc1noc([C@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001401635971 916412735 /nfs/dbraw/zinc/41/27/35/916412735.db2.gz CDIWVHSWBCFOGO-JFGNBEQYSA-N 2 2 295.387 0.628 20 0 CCADLP COC[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001401812439 916608926 /nfs/dbraw/zinc/60/89/26/916608926.db2.gz WNXCGAVJWBIXAL-QWHCGFSZSA-N 2 2 296.415 0.824 20 0 CCADLP COC[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001401812439 916608929 /nfs/dbraw/zinc/60/89/29/916608929.db2.gz WNXCGAVJWBIXAL-QWHCGFSZSA-N 2 2 296.415 0.824 20 0 CCADLP Cc1noc(C)c1C[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001401903140 916676756 /nfs/dbraw/zinc/67/67/56/916676756.db2.gz JGLHLPFHVKGMTA-CYBMUJFWSA-N 2 2 294.399 0.934 20 0 CCADLP Cc1noc(C)c1C[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001401903140 916676774 /nfs/dbraw/zinc/67/67/74/916676774.db2.gz JGLHLPFHVKGMTA-CYBMUJFWSA-N 2 2 294.399 0.934 20 0 CCADLP C[C@H](C(=O)N[C@H](CO)C[NH+]1CCCC1)n1cc[nH+]c1 ZINC001330737374 916826317 /nfs/dbraw/zinc/82/63/17/916826317.db2.gz CAQFMAVCBPIXOW-NEPJUHHUSA-N 2 2 266.345 0.017 20 0 CCADLP CC(=O)NCC[NH+]1CCC([NH2+]C[C@H]2CCO[C@@H](C)C2)CC1 ZINC001402437194 917015301 /nfs/dbraw/zinc/01/53/01/917015301.db2.gz WZWMCFFRYIEWSD-ZFWWWQNUSA-N 2 2 297.443 0.992 20 0 CCADLP C[NH+]1CCC2(CC1)NC(=O)N(C[NH+]1CCC(F)CC1)C2=O ZINC001331020382 917026793 /nfs/dbraw/zinc/02/67/93/917026793.db2.gz CMERIJCDMZSGBU-UHFFFAOYSA-N 2 2 298.362 0.394 20 0 CCADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CO2 ZINC001402688621 917174138 /nfs/dbraw/zinc/17/41/38/917174138.db2.gz IDFUDHRGAGNLNH-CYBMUJFWSA-N 2 2 297.443 0.944 20 0 CCADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CO2 ZINC001402688621 917174145 /nfs/dbraw/zinc/17/41/45/917174145.db2.gz IDFUDHRGAGNLNH-CYBMUJFWSA-N 2 2 297.443 0.944 20 0 CCADLP CCC1([NH2+]C[C@H](C)O)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001402736387 917198321 /nfs/dbraw/zinc/19/83/21/917198321.db2.gz ZLPYBRAYQCGYGP-ZDUSSCGKSA-N 2 2 294.399 0.625 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccon1 ZINC001402992524 917406293 /nfs/dbraw/zinc/40/62/93/917406293.db2.gz BRNKVYMJDYFNBL-RYUDHWBXSA-N 2 2 291.355 0.863 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+]Cc1ncccn1 ZINC001403130157 917509843 /nfs/dbraw/zinc/50/98/43/917509843.db2.gz DRYQAJJOLPPDHB-LLVKDONJSA-N 2 2 288.355 0.276 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NC[C@H](C)[N@H+](C)C[C@@H](C)O ZINC001403133341 917515417 /nfs/dbraw/zinc/51/54/17/917515417.db2.gz DMKBYJUQTQXRRX-NWDGAFQWSA-N 2 2 295.383 0.450 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NC[C@H](C)[N@@H+](C)C[C@@H](C)O ZINC001403133341 917515423 /nfs/dbraw/zinc/51/54/23/917515423.db2.gz DMKBYJUQTQXRRX-NWDGAFQWSA-N 2 2 295.383 0.450 20 0 CCADLP C[C@H](CNC(=O)CCC[NH+]1CCCC1)[NH2+]Cc1cnon1 ZINC001403156842 917536841 /nfs/dbraw/zinc/53/68/41/917536841.db2.gz FLJQPMXAYFHYNW-GFCCVEGCSA-N 2 2 295.387 0.540 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC1(CCO)C[NH+](C(C)C)C1 ZINC001403263121 917618163 /nfs/dbraw/zinc/61/81/63/917618163.db2.gz WPYKPTHFHCJVGM-UHFFFAOYSA-N 2 2 271.405 0.288 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC1(CCO)C[NH+](C(C)C)C1 ZINC001403263121 917618174 /nfs/dbraw/zinc/61/81/74/917618174.db2.gz WPYKPTHFHCJVGM-UHFFFAOYSA-N 2 2 271.405 0.288 20 0 CCADLP C[C@H](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CCF ZINC001403400420 917695391 /nfs/dbraw/zinc/69/53/91/917695391.db2.gz HQAVVPZTWVYYPG-VXGBXAGGSA-N 2 2 282.363 0.899 20 0 CCADLP Cc1nocc1C[NH2+][C@H](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001403487688 917739005 /nfs/dbraw/zinc/73/90/05/917739005.db2.gz PENTZBCYJIMDTR-LLVKDONJSA-N 2 2 291.355 0.864 20 0 CCADLP C[NH+]1CCN(C2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC001331984422 917779987 /nfs/dbraw/zinc/77/99/87/917779987.db2.gz RLWLEIPTRHHNLE-CQSZACIVSA-N 3 2 266.433 0.308 20 0 CCADLP C[N@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1cccnc1 ZINC001403795106 918012148 /nfs/dbraw/zinc/01/21/48/918012148.db2.gz HQIIHZMXPTXMRM-UHFFFAOYSA-N 2 2 273.340 0.526 20 0 CCADLP C[N@@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1cccnc1 ZINC001403795106 918012163 /nfs/dbraw/zinc/01/21/63/918012163.db2.gz HQIIHZMXPTXMRM-UHFFFAOYSA-N 2 2 273.340 0.526 20 0 CCADLP O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1CCC[NH+]1CCCC1 ZINC001332419889 918143544 /nfs/dbraw/zinc/14/35/44/918143544.db2.gz GJKAPLRUUBUYIB-LBPRGKRZSA-N 2 2 291.355 0.359 20 0 CCADLP O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1CCC[NH+]1CCCC1 ZINC001332419889 918143559 /nfs/dbraw/zinc/14/35/59/918143559.db2.gz GJKAPLRUUBUYIB-LBPRGKRZSA-N 2 2 291.355 0.359 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NC[C@H]1CC[N@@H+](CCCO)C1 ZINC001404098198 918206908 /nfs/dbraw/zinc/20/69/08/918206908.db2.gz FMPYEWFFIPSOIN-CQSZACIVSA-N 2 2 294.399 0.484 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NC[C@H]1CC[N@H+](CCCO)C1 ZINC001404098198 918206921 /nfs/dbraw/zinc/20/69/21/918206921.db2.gz FMPYEWFFIPSOIN-CQSZACIVSA-N 2 2 294.399 0.484 20 0 CCADLP C[C@H]([NH2+]CCN(C)C(=O)Cn1cc[nH+]c1)c1cnccn1 ZINC001404329890 918311353 /nfs/dbraw/zinc/31/13/53/918311353.db2.gz PLEWBHOCDFTBTO-LBPRGKRZSA-N 2 2 288.355 0.482 20 0 CCADLP CC[C@H](C(=O)NC1C[NH+](C[C@H]2CCCCO2)C1)[NH+](C)C ZINC001404787592 918462889 /nfs/dbraw/zinc/46/28/89/918462889.db2.gz WTNHXMRMOQNPRB-ZIAGYGMSSA-N 2 2 283.416 0.696 20 0 CCADLP Cc1nnc(CC[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)o1 ZINC001333197089 918727045 /nfs/dbraw/zinc/72/70/45/918727045.db2.gz BOUSYNNMANJPII-NEPJUHHUSA-N 2 2 250.346 0.947 20 0 CCADLP Cc1nnc(CC[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)o1 ZINC001333197089 918727051 /nfs/dbraw/zinc/72/70/51/918727051.db2.gz BOUSYNNMANJPII-NEPJUHHUSA-N 2 2 250.346 0.947 20 0 CCADLP Cc1nnc(CC[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)o1 ZINC001333197089 918727061 /nfs/dbraw/zinc/72/70/61/918727061.db2.gz BOUSYNNMANJPII-NEPJUHHUSA-N 2 2 250.346 0.947 20 0 CCADLP Cc1nnc(CC[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)o1 ZINC001333197089 918727075 /nfs/dbraw/zinc/72/70/75/918727075.db2.gz BOUSYNNMANJPII-NEPJUHHUSA-N 2 2 250.346 0.947 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]Cc1ccns1 ZINC001405690530 918863909 /nfs/dbraw/zinc/86/39/09/918863909.db2.gz GCXLIUCMWFYBDO-SNVBAGLBSA-N 2 2 293.396 0.951 20 0 CCADLP CC[N@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+]Cc1nc(C)no1 ZINC001405886441 918962552 /nfs/dbraw/zinc/96/25/52/918962552.db2.gz PNBDTWOQIBWQTH-LLVKDONJSA-N 2 2 297.403 0.656 20 0 CCADLP CC[N@@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+]Cc1nc(C)no1 ZINC001405886441 918962567 /nfs/dbraw/zinc/96/25/67/918962567.db2.gz PNBDTWOQIBWQTH-LLVKDONJSA-N 2 2 297.403 0.656 20 0 CCADLP Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)o1 ZINC001406413265 919247934 /nfs/dbraw/zinc/24/79/34/919247934.db2.gz WQUMUNBDLRBATQ-SNVBAGLBSA-N 2 2 293.371 0.068 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnsn1)NC(=O)CCC[NH+](C)C ZINC001406515155 919319660 /nfs/dbraw/zinc/31/96/60/919319660.db2.gz DYIHVJNFAOSVSP-JTQLQIEISA-N 2 2 285.417 0.474 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001406795722 919463108 /nfs/dbraw/zinc/46/31/08/919463108.db2.gz ZATFRZSLUFXMKA-JQWIXIFHSA-N 2 2 280.372 0.472 20 0 CCADLP C[C@H](O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001406938216 919548671 /nfs/dbraw/zinc/54/86/71/919548671.db2.gz QPUABSAEEZDYSC-HBNTYKKESA-N 2 2 278.356 0.132 20 0 CCADLP C[C@H](O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001406938216 919548681 /nfs/dbraw/zinc/54/86/81/919548681.db2.gz QPUABSAEEZDYSC-HBNTYKKESA-N 2 2 278.356 0.132 20 0 CCADLP OCCCOCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001334406490 919557335 /nfs/dbraw/zinc/55/73/35/919557335.db2.gz QWIPBLUFDNVTRC-UONOGXRCSA-N 2 2 256.390 0.992 20 0 CCADLP OCCCOCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001334406490 919557345 /nfs/dbraw/zinc/55/73/45/919557345.db2.gz QWIPBLUFDNVTRC-UONOGXRCSA-N 2 2 256.390 0.992 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)N2CCn3c[nH+]cc3C2)CC[N@H+]1C ZINC001335251325 920064764 /nfs/dbraw/zinc/06/47/64/920064764.db2.gz JKEFCBLWIFRLTG-PWSUYJOCSA-N 2 2 263.345 0.501 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1CCO ZINC001408153624 920068585 /nfs/dbraw/zinc/06/85/85/920068585.db2.gz FVWIKYSZFCCEOT-NEPJUHHUSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1CCO ZINC001408153624 920068603 /nfs/dbraw/zinc/06/86/03/920068603.db2.gz FVWIKYSZFCCEOT-NEPJUHHUSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1CCO ZINC001408153624 920068617 /nfs/dbraw/zinc/06/86/17/920068617.db2.gz FVWIKYSZFCCEOT-NEPJUHHUSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1CCO ZINC001408153624 920068632 /nfs/dbraw/zinc/06/86/32/920068632.db2.gz FVWIKYSZFCCEOT-NEPJUHHUSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H](C[NH2+]C[C@@H](O)Cn1cccn1)Cn1cc[nH+]c1 ZINC001335351970 920137743 /nfs/dbraw/zinc/13/77/43/920137743.db2.gz UKZZRTJQFLDHHV-QWHCGFSZSA-N 2 2 263.345 0.366 20 0 CCADLP CC[NH2+]CCNC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC001335538319 920261521 /nfs/dbraw/zinc/26/15/21/920261521.db2.gz RBFUTCGMSAXEBI-LBPRGKRZSA-N 2 2 272.393 0.006 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC001335665973 920357134 /nfs/dbraw/zinc/35/71/34/920357134.db2.gz MUDNBJAOHGSLTG-SNVBAGLBSA-N 2 2 251.334 0.217 20 0 CCADLP CCCCNC(=O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001336808320 921028126 /nfs/dbraw/zinc/02/81/26/921028126.db2.gz PAGZQYHGYGEDHF-UHFFFAOYSA-N 2 2 296.459 0.615 20 0 CCADLP O=C(N1CCC(c2c[nH]c[nH+]2)CC1)C12CC(C1)C[NH2+]2 ZINC001340093184 921951217 /nfs/dbraw/zinc/95/12/17/921951217.db2.gz JFCWRIKHMCPACK-UHFFFAOYSA-N 2 2 260.341 0.868 20 0 CCADLP O=C(N1CCC(c2c[nH+]c[nH]2)CC1)C12CC(C1)C[NH2+]2 ZINC001340093184 921951229 /nfs/dbraw/zinc/95/12/29/921951229.db2.gz JFCWRIKHMCPACK-UHFFFAOYSA-N 2 2 260.341 0.868 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nncs1 ZINC001418314285 922017696 /nfs/dbraw/zinc/01/76/96/922017696.db2.gz HEWJAJVOFIREMS-ZJUUUORDSA-N 2 2 283.401 0.084 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1nncs1 ZINC001418314285 922017707 /nfs/dbraw/zinc/01/77/07/922017707.db2.gz HEWJAJVOFIREMS-ZJUUUORDSA-N 2 2 283.401 0.084 20 0 CCADLP O=C(CC[N@H+]1CC[C@H](F)C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001418368451 922057957 /nfs/dbraw/zinc/05/79/57/922057957.db2.gz UDRCEDOHIBQUSB-UONOGXRCSA-N 2 2 299.390 0.353 20 0 CCADLP O=C(CC[N@@H+]1CC[C@H](F)C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001418368451 922057972 /nfs/dbraw/zinc/05/79/72/922057972.db2.gz UDRCEDOHIBQUSB-UONOGXRCSA-N 2 2 299.390 0.353 20 0 CCADLP O=C(NCCC[NH2+]C1CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001340403866 922077450 /nfs/dbraw/zinc/07/74/50/922077450.db2.gz DJFOKFHQXGBRAD-LLVKDONJSA-N 2 2 262.357 0.704 20 0 CCADLP Cc1cc(C[N@@H+](C)CCNC(=O)CCC[NH+](C)C)on1 ZINC001418492468 922178907 /nfs/dbraw/zinc/17/89/07/922178907.db2.gz AFQHTKIZYJGMHC-UHFFFAOYSA-N 2 2 282.388 0.873 20 0 CCADLP Cc1cc(C[N@H+](C)CCNC(=O)CCC[NH+](C)C)on1 ZINC001418492468 922178911 /nfs/dbraw/zinc/17/89/11/922178911.db2.gz AFQHTKIZYJGMHC-UHFFFAOYSA-N 2 2 282.388 0.873 20 0 CCADLP C[C@H](C(=O)NCC[N@@H+](C)[C@@H](C)C(N)=O)[NH+]1CCCCCC1 ZINC001418502587 922192944 /nfs/dbraw/zinc/19/29/44/922192944.db2.gz LJSMGCJFEIJPLO-QWHCGFSZSA-N 2 2 298.431 0.173 20 0 CCADLP C[C@H](C(=O)NCC[N@H+](C)[C@@H](C)C(N)=O)[NH+]1CCCCCC1 ZINC001418502587 922192955 /nfs/dbraw/zinc/19/29/55/922192955.db2.gz LJSMGCJFEIJPLO-QWHCGFSZSA-N 2 2 298.431 0.173 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001418677983 922353399 /nfs/dbraw/zinc/35/33/99/922353399.db2.gz ANBNTNBVOWQNPZ-CQSZACIVSA-N 2 2 299.378 0.986 20 0 CCADLP CC[C@H](C[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1)OC ZINC001418688932 922363935 /nfs/dbraw/zinc/36/39/35/922363935.db2.gz PEWYWNYMQPUJHB-TZMCWYRMSA-N 2 2 294.399 0.815 20 0 CCADLP CC[C@H](C[N@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1)OC ZINC001418688932 922363953 /nfs/dbraw/zinc/36/39/53/922363953.db2.gz PEWYWNYMQPUJHB-TZMCWYRMSA-N 2 2 294.399 0.815 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001418707844 922380568 /nfs/dbraw/zinc/38/05/68/922380568.db2.gz MBNYUMNPRPZHRT-JHJVBQTASA-N 2 2 280.372 0.402 20 0 CCADLP C[NH2+]Cc1ccccc1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001341307068 922417065 /nfs/dbraw/zinc/41/70/65/922417065.db2.gz UMLHPQADQHMXMI-UHFFFAOYSA-N 2 2 258.325 0.988 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)[C@@H]1[NH2+]CC12CCCC2 ZINC001341402173 922466644 /nfs/dbraw/zinc/46/66/44/922466644.db2.gz ITPWMHWARQQSFW-LBPRGKRZSA-N 2 2 262.357 0.922 20 0 CCADLP C[NH2+]C[C@@H](O)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001341493024 922513251 /nfs/dbraw/zinc/51/32/51/922513251.db2.gz OBZZTTRIGUDYRT-GFCCVEGCSA-N 2 2 265.357 0.659 20 0 CCADLP CC(C)OCC[NH+]1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001419033804 922588314 /nfs/dbraw/zinc/58/83/14/922588314.db2.gz VXSDFKJEBISTIO-UHFFFAOYSA-N 2 2 280.372 0.425 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)CC(C)(C)C[NH3+] ZINC001341812813 922685041 /nfs/dbraw/zinc/68/50/41/922685041.db2.gz GRAOJZMCEZPOJT-UHFFFAOYSA-N 2 2 257.378 0.152 20 0 CCADLP CCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](C[C@H](C)OC)C1 ZINC001419169282 922685450 /nfs/dbraw/zinc/68/54/50/922685450.db2.gz XUELCXQGUQJOIG-KBPBESRZSA-N 2 2 294.399 0.841 20 0 CCADLP CCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](C[C@H](C)OC)C1 ZINC001419169282 922685456 /nfs/dbraw/zinc/68/54/56/922685456.db2.gz XUELCXQGUQJOIG-KBPBESRZSA-N 2 2 294.399 0.841 20 0 CCADLP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1cnoc1C ZINC001419242432 922730715 /nfs/dbraw/zinc/73/07/15/922730715.db2.gz FQBQSXBTZRPQOH-LBPRGKRZSA-N 2 2 291.355 0.933 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001341956560 922736927 /nfs/dbraw/zinc/73/69/27/922736927.db2.gz AQERDIGOTJUPGR-JQWIXIFHSA-N 2 2 266.345 0.165 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001341956560 922736941 /nfs/dbraw/zinc/73/69/41/922736941.db2.gz AQERDIGOTJUPGR-JQWIXIFHSA-N 2 2 266.345 0.165 20 0 CCADLP CC[C@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+][C@H](C)COC ZINC001419285750 922749984 /nfs/dbraw/zinc/74/99/84/922749984.db2.gz ZPVKUYASGHMJPT-ZYHUDNBSSA-N 2 2 282.388 0.780 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]([NH3+])C1CCC1 ZINC001342195474 922857485 /nfs/dbraw/zinc/85/74/85/922857485.db2.gz FAEJJRWTMXKZNW-DGCLKSJQSA-N 2 2 269.389 0.293 20 0 CCADLP [NH3+]CCNCC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001342467434 922972396 /nfs/dbraw/zinc/97/23/96/922972396.db2.gz GDFDCIBRYXUWGJ-AWEZNQCLSA-N 2 2 287.367 0.289 20 0 CCADLP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1cnsn1 ZINC001419780674 923089797 /nfs/dbraw/zinc/08/97/97/923089797.db2.gz WHUNSTSFCXJVEC-JTQLQIEISA-N 2 2 297.428 0.617 20 0 CCADLP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1cnsn1 ZINC001419780674 923089806 /nfs/dbraw/zinc/08/98/06/923089806.db2.gz WHUNSTSFCXJVEC-JTQLQIEISA-N 2 2 297.428 0.617 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001343148056 923219041 /nfs/dbraw/zinc/21/90/41/923219041.db2.gz VLDIYWIQGQJJDM-RISCZKNCSA-N 2 2 262.357 0.943 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001343148056 923219050 /nfs/dbraw/zinc/21/90/50/923219050.db2.gz VLDIYWIQGQJJDM-RISCZKNCSA-N 2 2 262.357 0.943 20 0 CCADLP COC[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001419997172 923223570 /nfs/dbraw/zinc/22/35/70/923223570.db2.gz CHUNBCOSLIZEMK-STQMWFEESA-N 2 2 280.372 0.356 20 0 CCADLP C[C@@H](C(=O)NCC[N@@H+]1CCCOCC1)n1cc[nH+]c1 ZINC001343306286 923263651 /nfs/dbraw/zinc/26/36/51/923263651.db2.gz WCMVCGLUXWSXRI-LBPRGKRZSA-N 2 2 266.345 0.283 20 0 CCADLP C[C@@H](C(=O)NCC[N@H+]1CCCOCC1)n1cc[nH+]c1 ZINC001343306286 923263660 /nfs/dbraw/zinc/26/36/60/923263660.db2.gz WCMVCGLUXWSXRI-LBPRGKRZSA-N 2 2 266.345 0.283 20 0 CCADLP COCCC[NH+]1CCC(NC(=O)C[C@@H]([NH3+])C(F)F)CC1 ZINC001343419608 923308933 /nfs/dbraw/zinc/30/89/33/923308933.db2.gz DUMIRYWMYHGAAS-LLVKDONJSA-N 2 2 293.358 0.586 20 0 CCADLP CC(C)C[NH2+]C[C@@H](O)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001420178260 923372326 /nfs/dbraw/zinc/37/23/26/923372326.db2.gz LXGBSAYDDLPYBA-QWHCGFSZSA-N 2 2 282.388 0.557 20 0 CCADLP COC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001420255733 923459338 /nfs/dbraw/zinc/45/93/38/923459338.db2.gz OPUAXBRFSUBOPF-OLZOCXBDSA-N 2 2 294.399 0.528 20 0 CCADLP COC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001420255733 923459339 /nfs/dbraw/zinc/45/93/39/923459339.db2.gz OPUAXBRFSUBOPF-OLZOCXBDSA-N 2 2 294.399 0.528 20 0 CCADLP C[C@H](C[NH2+]Cc1cscn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001420277547 923490247 /nfs/dbraw/zinc/49/02/47/923490247.db2.gz KXQGSIPSTDEFJU-PWSUYJOCSA-N 2 2 298.412 0.068 20 0 CCADLP C[C@H](C[NH2+]Cc1cscn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001420277547 923490252 /nfs/dbraw/zinc/49/02/52/923490252.db2.gz KXQGSIPSTDEFJU-PWSUYJOCSA-N 2 2 298.412 0.068 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001344015841 923531502 /nfs/dbraw/zinc/53/15/02/923531502.db2.gz GLMFOSJSIDZJGO-VXGBXAGGSA-N 2 2 250.346 0.997 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001344015841 923531514 /nfs/dbraw/zinc/53/15/14/923531514.db2.gz GLMFOSJSIDZJGO-VXGBXAGGSA-N 2 2 250.346 0.997 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH+](C)Cc1cc(C)ncn1 ZINC001420339913 923558860 /nfs/dbraw/zinc/55/88/60/923558860.db2.gz KILGCCSNSJWFOU-UHFFFAOYSA-N 2 2 293.415 0.675 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH+](C)Cc1cc(C)ncn1 ZINC001420339913 923558866 /nfs/dbraw/zinc/55/88/66/923558866.db2.gz KILGCCSNSJWFOU-UHFFFAOYSA-N 2 2 293.415 0.675 20 0 CCADLP CCC[NH+](C)CC(=O)NCC[N@H+](C)Cc1cc(C)ncn1 ZINC001420339913 923558874 /nfs/dbraw/zinc/55/88/74/923558874.db2.gz KILGCCSNSJWFOU-UHFFFAOYSA-N 2 2 293.415 0.675 20 0 CCADLP CCC[NH+](C)CC(=O)NCC[N@@H+](C)Cc1cc(C)ncn1 ZINC001420339913 923558884 /nfs/dbraw/zinc/55/88/84/923558884.db2.gz KILGCCSNSJWFOU-UHFFFAOYSA-N 2 2 293.415 0.675 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)CC[NH2+]CC1CC1 ZINC001344811505 923691695 /nfs/dbraw/zinc/69/16/95/923691695.db2.gz BHEATQQHBGMZQH-CQSZACIVSA-N 2 2 283.416 0.603 20 0 CCADLP CC(C)OCC[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001420571769 923790397 /nfs/dbraw/zinc/79/03/97/923790397.db2.gz PYQGLGJFBAKKQK-CYBMUJFWSA-N 2 2 294.399 0.815 20 0 CCADLP CC(C)OCC[N@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001420571769 923790405 /nfs/dbraw/zinc/79/04/05/923790405.db2.gz PYQGLGJFBAKKQK-CYBMUJFWSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H](C[N@H+](C)C[C@H]1CCOC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001420584110 923798870 /nfs/dbraw/zinc/79/88/70/923798870.db2.gz VCGOJZWBEFIDSA-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H](C[N@@H+](C)C[C@H]1CCOC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001420584110 923798887 /nfs/dbraw/zinc/79/88/87/923798887.db2.gz VCGOJZWBEFIDSA-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H](C[N@H+](C)C[C@H]1CCOC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001420584110 923798903 /nfs/dbraw/zinc/79/89/03/923798903.db2.gz VCGOJZWBEFIDSA-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H](C[N@@H+](C)C[C@H]1CCOC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001420584110 923798917 /nfs/dbraw/zinc/79/89/17/923798917.db2.gz VCGOJZWBEFIDSA-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NCC1([NH2+]C[C@H](C)O)CC1 ZINC001420949592 924052279 /nfs/dbraw/zinc/05/22/79/924052279.db2.gz AKEOLHFCMILNTJ-NSHDSACASA-N 2 2 293.367 0.252 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NCC1([NH2+]C[C@@H](C)O)CC1 ZINC001420949584 924052886 /nfs/dbraw/zinc/05/28/86/924052886.db2.gz AKEOLHFCMILNTJ-LLVKDONJSA-N 2 2 293.367 0.252 20 0 CCADLP CCC[N@H+](C)CC(=O)NC1C[NH+](CCOC2CCC2)C1 ZINC001421083853 924141248 /nfs/dbraw/zinc/14/12/48/924141248.db2.gz KXQASNNFEJLRPO-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC1C[NH+](CCOC2CCC2)C1 ZINC001421083853 924141253 /nfs/dbraw/zinc/14/12/53/924141253.db2.gz KXQASNNFEJLRPO-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001421117858 924160894 /nfs/dbraw/zinc/16/08/94/924160894.db2.gz OMWXXTWKRDPOSY-OLZOCXBDSA-N 2 2 280.372 0.235 20 0 CCADLP Cn1c[nH+]cc1C1CCN(C(=O)C[NH2+]C2CC2)CC1 ZINC001346528078 924253415 /nfs/dbraw/zinc/25/34/15/924253415.db2.gz XSPOALNCKHCJTA-UHFFFAOYSA-N 2 2 262.357 0.878 20 0 CCADLP CN(C(=O)CCn1cc[nH+]c1)C1CC[NH+](CCCO)CC1 ZINC001479890348 924544393 /nfs/dbraw/zinc/54/43/93/924544393.db2.gz IIOMINOHBSQNJP-UHFFFAOYSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc[nH+]c(N)n1 ZINC001348170916 924611020 /nfs/dbraw/zinc/61/10/20/924611020.db2.gz AXBRALLUVSGSDR-WDEREUQCSA-N 2 2 263.345 0.358 20 0 CCADLP Cc1ncc(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)s1 ZINC001348446662 924690949 /nfs/dbraw/zinc/69/09/49/924690949.db2.gz JRJFCMOGNRTQHF-UHFFFAOYSA-N 2 2 265.342 0.696 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NC1CC[NH+](C)CC1 ZINC001348453835 924693457 /nfs/dbraw/zinc/69/34/57/924693457.db2.gz ZEZASSPJSBMMPW-UHFFFAOYSA-N 2 2 250.346 0.563 20 0 CCADLP CN(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001348958867 924852748 /nfs/dbraw/zinc/85/27/48/924852748.db2.gz ZCCULLQIFHXENW-BZUAXINKSA-N 2 2 298.475 0.057 20 0 CCADLP COCC[C@H]([NH3+])C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC001353063644 925720951 /nfs/dbraw/zinc/72/09/51/925720951.db2.gz NKEOHLKGTUKXIB-NSHDSACASA-N 2 2 262.313 0.945 20 0 CCADLP [NH3+]CC[C@@H]1CCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC001353254153 925772921 /nfs/dbraw/zinc/77/29/21/925772921.db2.gz KLKDRERXWDLJQH-LLVKDONJSA-N 2 2 251.334 0.263 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](CNc2cc[nH+]c(N)n2)C1 ZINC001354058068 925999892 /nfs/dbraw/zinc/99/98/92/925999892.db2.gz ANDCKCHLCFWUKT-LLVKDONJSA-N 2 2 265.361 0.828 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](CNc2cc[nH+]c(N)n2)C1 ZINC001354058068 925999900 /nfs/dbraw/zinc/99/99/00/925999900.db2.gz ANDCKCHLCFWUKT-LLVKDONJSA-N 2 2 265.361 0.828 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCOCC[NH3+] ZINC001354423498 926107812 /nfs/dbraw/zinc/10/78/12/926107812.db2.gz DFJDORSQUIQMMY-SNVBAGLBSA-N 2 2 254.334 0.022 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCOCC[NH3+] ZINC001354423498 926107820 /nfs/dbraw/zinc/10/78/20/926107820.db2.gz DFJDORSQUIQMMY-SNVBAGLBSA-N 2 2 254.334 0.022 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001354682847 926151712 /nfs/dbraw/zinc/15/17/12/926151712.db2.gz IZLPGHXHUNDOIB-WRWGMCAJSA-N 2 2 262.357 0.495 20 0 CCADLP CCn1cnc(C(=O)NCC[NH+]2CCC([NH3+])CC2)c1 ZINC001354771131 926162914 /nfs/dbraw/zinc/16/29/14/926162914.db2.gz PAEKTLFSWSEFDK-UHFFFAOYSA-N 2 2 265.361 0.056 20 0 CCADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCOC(N)=O ZINC001357127011 926486378 /nfs/dbraw/zinc/48/63/78/926486378.db2.gz SDMAMLAQPMPYKO-ZDUSSCGKSA-N 2 2 281.356 0.578 20 0 CCADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCOC(N)=O ZINC001357127011 926486383 /nfs/dbraw/zinc/48/63/83/926486383.db2.gz SDMAMLAQPMPYKO-ZDUSSCGKSA-N 2 2 281.356 0.578 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001357458572 926536759 /nfs/dbraw/zinc/53/67/59/926536759.db2.gz YMUBDBLFANKFGT-GMTAPVOTSA-N 2 2 250.346 0.974 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001357458572 926536765 /nfs/dbraw/zinc/53/67/65/926536765.db2.gz YMUBDBLFANKFGT-GMTAPVOTSA-N 2 2 250.346 0.974 20 0 CCADLP [NH3+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC[C@H]1F ZINC001357872130 926604944 /nfs/dbraw/zinc/60/49/44/926604944.db2.gz AOUVWZBMACIFID-MVWJERBFSA-N 2 2 266.320 0.343 20 0 CCADLP [NH3+][C@H](CC(=O)N1CC[C@@]2(C1)CCCC[NH2+]2)C(F)F ZINC001358322698 926673056 /nfs/dbraw/zinc/67/30/56/926673056.db2.gz PAWBXSIUGFHJKI-BXKDBHETSA-N 2 2 261.316 0.714 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@]1(CO)CCC[NH+](CCF)C1 ZINC001421609934 926817395 /nfs/dbraw/zinc/81/73/95/926817395.db2.gz HACUDYSOIWBZIV-CQSZACIVSA-N 2 2 289.395 0.241 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@]1(CO)CCC[NH+](CCF)C1 ZINC001421609934 926817405 /nfs/dbraw/zinc/81/74/05/926817405.db2.gz HACUDYSOIWBZIV-CQSZACIVSA-N 2 2 289.395 0.241 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@]1(CO)CCC[N@H+](CCF)C1 ZINC001421609934 926817414 /nfs/dbraw/zinc/81/74/14/926817414.db2.gz HACUDYSOIWBZIV-CQSZACIVSA-N 2 2 289.395 0.241 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@]1(CO)CCC[N@@H+](CCF)C1 ZINC001421609934 926817417 /nfs/dbraw/zinc/81/74/17/926817417.db2.gz HACUDYSOIWBZIV-CQSZACIVSA-N 2 2 289.395 0.241 20 0 CCADLP CC[C@@H](C(=O)NC[C@H]1COCC[N@@H+]1CC1CCC1)[NH+](C)C ZINC001421695845 926864703 /nfs/dbraw/zinc/86/47/03/926864703.db2.gz AJOWYZWZAHVFQC-GJZGRUSLSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@@H](C(=O)NC[C@H]1COCC[N@H+]1CC1CCC1)[NH+](C)C ZINC001421695845 926864717 /nfs/dbraw/zinc/86/47/17/926864717.db2.gz AJOWYZWZAHVFQC-GJZGRUSLSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+]C[C@@H]1CCOC1 ZINC001421730134 926878411 /nfs/dbraw/zinc/87/84/11/926878411.db2.gz QCCLBXGEFWTGKQ-KGLIPLIRSA-N 2 2 294.399 0.652 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnn(C)c1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001421966412 927018620 /nfs/dbraw/zinc/01/86/20/927018620.db2.gz ZWJNDRXADGZLEH-NSHDSACASA-N 2 2 290.371 0.322 20 0 CCADLP C[C@H](O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001422176059 927127511 /nfs/dbraw/zinc/12/75/11/927127511.db2.gz MIXGGCDHNWZYBE-QWHCGFSZSA-N 2 2 294.399 0.217 20 0 CCADLP C[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001422176059 927127519 /nfs/dbraw/zinc/12/75/19/927127519.db2.gz MIXGGCDHNWZYBE-QWHCGFSZSA-N 2 2 294.399 0.217 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCO)ccn12 ZINC001422327273 927223101 /nfs/dbraw/zinc/22/31/01/927223101.db2.gz YMLSCKADJYCEMW-NEPJUHHUSA-N 2 2 290.367 0.731 20 0 CCADLP C[C@@H]([NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C)c1csnn1 ZINC001422704561 927462220 /nfs/dbraw/zinc/46/22/20/927462220.db2.gz RNKDQSFNNDVZFW-HOSYDEDBSA-N 2 2 297.428 0.788 20 0 CCADLP C[C@@H]([NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C)c1csnn1 ZINC001422704561 927462224 /nfs/dbraw/zinc/46/22/24/927462224.db2.gz RNKDQSFNNDVZFW-HOSYDEDBSA-N 2 2 297.428 0.788 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)o2)C1 ZINC001361984161 927498981 /nfs/dbraw/zinc/49/89/81/927498981.db2.gz GKOOXXPXTHHCLP-GFCCVEGCSA-N 2 2 295.383 0.792 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)o2)C1 ZINC001361984161 927498985 /nfs/dbraw/zinc/49/89/85/927498985.db2.gz GKOOXXPXTHHCLP-GFCCVEGCSA-N 2 2 295.383 0.792 20 0 CCADLP CC[C@H](F)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001422824513 927535129 /nfs/dbraw/zinc/53/51/29/927535129.db2.gz LBZFBTXHJZBZDY-DOERSZECSA-N 2 2 294.374 0.994 20 0 CCADLP CC[C@H](F)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001422824513 927535136 /nfs/dbraw/zinc/53/51/36/927535136.db2.gz LBZFBTXHJZBZDY-DOERSZECSA-N 2 2 294.374 0.994 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001423021302 927629359 /nfs/dbraw/zinc/62/93/59/927629359.db2.gz FKWSVAULGKFFDQ-ZYHUDNBSSA-N 2 2 280.372 0.472 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2nccs2)CC1 ZINC001423196860 927734407 /nfs/dbraw/zinc/73/44/07/927734407.db2.gz AXDSMNMJEXWYTC-LLVKDONJSA-N 2 2 294.424 0.976 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2nccs2)CC1 ZINC001423196860 927734419 /nfs/dbraw/zinc/73/44/19/927734419.db2.gz AXDSMNMJEXWYTC-LLVKDONJSA-N 2 2 294.424 0.976 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC001362229998 927753249 /nfs/dbraw/zinc/75/32/49/927753249.db2.gz OADQXMNINHVIIW-JSGCOSHPSA-N 2 2 276.384 0.905 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC001362229998 927753251 /nfs/dbraw/zinc/75/32/51/927753251.db2.gz OADQXMNINHVIIW-JSGCOSHPSA-N 2 2 276.384 0.905 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](CO)[NH2+]C/C=C/Cl ZINC001423287432 927791115 /nfs/dbraw/zinc/79/11/15/927791115.db2.gz LQJBXAYTNOXRLY-VMZHVLLKSA-N 2 2 286.763 0.080 20 0 CCADLP CC[C@H](C(=O)N(C)C1C[NH+](CCn2cccn2)C1)[NH+](C)C ZINC001423433713 927857020 /nfs/dbraw/zinc/85/70/20/927857020.db2.gz HDIIWCYNSWMNRU-CQSZACIVSA-N 2 2 293.415 0.366 20 0 CCADLP C[C@H]([NH2+]CCF)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001423957229 928043962 /nfs/dbraw/zinc/04/39/62/928043962.db2.gz VEFYXBYTOTUUPJ-RYUDHWBXSA-N 2 2 282.363 0.759 20 0 CCADLP CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001424048514 928075325 /nfs/dbraw/zinc/07/53/25/928075325.db2.gz VSKYRUJREBLXTD-DOMZBBRYSA-N 2 2 294.399 0.551 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001424127131 928105866 /nfs/dbraw/zinc/10/58/66/928105866.db2.gz UHZOYTYBYZTGTO-CABCVRRESA-N 2 2 297.443 0.945 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001424127131 928105870 /nfs/dbraw/zinc/10/58/70/928105870.db2.gz UHZOYTYBYZTGTO-CABCVRRESA-N 2 2 297.443 0.945 20 0 CCADLP CCCC[NH+]1CCOC[C@@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001424127131 928105873 /nfs/dbraw/zinc/10/58/73/928105873.db2.gz UHZOYTYBYZTGTO-CABCVRRESA-N 2 2 297.443 0.945 20 0 CCADLP CCCC[NH+]1CCOC[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001424127131 928105877 /nfs/dbraw/zinc/10/58/77/928105877.db2.gz UHZOYTYBYZTGTO-CABCVRRESA-N 2 2 297.443 0.945 20 0 CCADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001424247352 928134298 /nfs/dbraw/zinc/13/42/98/928134298.db2.gz TUDJWICGGOTXNS-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP O=C(CC[N@H+]1CC[C@H](F)C1)NC1CC([NH+]2CCOCC2)C1 ZINC001362595906 928227075 /nfs/dbraw/zinc/22/70/75/928227075.db2.gz WBBLIWPZKARMHD-HSBZDZAISA-N 2 2 299.390 0.400 20 0 CCADLP O=C(CC[N@@H+]1CC[C@H](F)C1)NC1CC([NH+]2CCOCC2)C1 ZINC001362595906 928227084 /nfs/dbraw/zinc/22/70/84/928227084.db2.gz WBBLIWPZKARMHD-HSBZDZAISA-N 2 2 299.390 0.400 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)CC[C@@H]1CCCO1 ZINC001425056224 928419094 /nfs/dbraw/zinc/41/90/94/928419094.db2.gz PHDKMUBZDGXPTO-STQMWFEESA-N 2 2 294.399 0.958 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)CC[C@@H]1CCCO1 ZINC001425056224 928419097 /nfs/dbraw/zinc/41/90/97/928419097.db2.gz PHDKMUBZDGXPTO-STQMWFEESA-N 2 2 294.399 0.958 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001362985993 928726984 /nfs/dbraw/zinc/72/69/84/928726984.db2.gz ASPNKBMIYJZVTE-WDEREUQCSA-N 2 2 278.356 0.178 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001362985993 928726993 /nfs/dbraw/zinc/72/69/93/928726993.db2.gz ASPNKBMIYJZVTE-WDEREUQCSA-N 2 2 278.356 0.178 20 0 CCADLP CC[NH+]1CCC(NC(=O)NCc2ccc[nH+]c2N)CC1 ZINC001426683447 928898031 /nfs/dbraw/zinc/89/80/31/928898031.db2.gz LOQBVTRCHAVOOP-UHFFFAOYSA-N 2 2 277.372 0.947 20 0 CCADLP CC[N@H+](C)[C@H]1CCN(C(=O)NCC[NH+]2CCO[C@H](C)C2)C1 ZINC001426836120 928929499 /nfs/dbraw/zinc/92/94/99/928929499.db2.gz PXLFTDPPCSTOBC-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP CC[N@@H+](C)[C@H]1CCN(C(=O)NCC[NH+]2CCO[C@H](C)C2)C1 ZINC001426836120 928929510 /nfs/dbraw/zinc/92/95/10/928929510.db2.gz PXLFTDPPCSTOBC-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP CC[NH+](C)[C@H]1CCN(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC001426836120 928929517 /nfs/dbraw/zinc/92/95/17/928929517.db2.gz PXLFTDPPCSTOBC-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP CC[NH+](C)[C@H]1CCN(C(=O)NCC[N@H+]2CCO[C@H](C)C2)C1 ZINC001426836120 928929523 /nfs/dbraw/zinc/92/95/23/928929523.db2.gz PXLFTDPPCSTOBC-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC001363501085 929304218 /nfs/dbraw/zinc/30/42/18/929304218.db2.gz LHAPTZZTGRZYPL-UHFFFAOYSA-N 2 2 294.399 0.268 20 0 CCADLP Cn1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cn1 ZINC001363879413 929629658 /nfs/dbraw/zinc/62/96/58/929629658.db2.gz LQDONYNFLOLTPS-HUUCEWRRSA-N 2 2 278.400 0.888 20 0 CCADLP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]CCn1cccn1 ZINC001371889506 929653676 /nfs/dbraw/zinc/65/36/76/929653676.db2.gz OUEMMVBCXARFLN-CYBMUJFWSA-N 2 2 290.371 0.264 20 0 CCADLP CC[C@H](C[NH+]1CC(CNC(=O)Cn2cc[nH+]c2)C1)OC ZINC001443672250 929671325 /nfs/dbraw/zinc/67/13/25/929671325.db2.gz YMZAMMHJEVJEOC-CYBMUJFWSA-N 2 2 280.372 0.356 20 0 CCADLP Cc1ncc(C[N@H+](C)CCNC(=O)C[NH+]2CCCC2)o1 ZINC001372224573 929772539 /nfs/dbraw/zinc/77/25/39/929772539.db2.gz MUUKFAKOPDDZLB-UHFFFAOYSA-N 2 2 280.372 0.627 20 0 CCADLP Cc1ncc(C[N@@H+](C)CCNC(=O)C[NH+]2CCCC2)o1 ZINC001372224573 929772552 /nfs/dbraw/zinc/77/25/52/929772552.db2.gz MUUKFAKOPDDZLB-UHFFFAOYSA-N 2 2 280.372 0.627 20 0 CCADLP CC[C@@H](C(=O)N(C)CC[NH2+][C@H](C)c1nnc(C)o1)[NH+](C)C ZINC001372965833 930031298 /nfs/dbraw/zinc/03/12/98/930031298.db2.gz FHPMPVNDUSUFMO-PWSUYJOCSA-N 2 2 297.403 0.827 20 0 CCADLP CC[C@H](C(=O)N(C)CC[NH2+][C@H](C)c1nnc(C)o1)[NH+](C)C ZINC001372965836 930031527 /nfs/dbraw/zinc/03/15/27/930031527.db2.gz FHPMPVNDUSUFMO-ZYHUDNBSSA-N 2 2 297.403 0.827 20 0 CCADLP C[C@H](O)C[N@@H+]1CCC[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001373397565 930172783 /nfs/dbraw/zinc/17/27/83/930172783.db2.gz MUFCCXRRTVMACA-STQMWFEESA-N 2 2 294.399 0.314 20 0 CCADLP C[C@H](O)C[N@H+]1CCC[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001373397565 930172789 /nfs/dbraw/zinc/17/27/89/930172789.db2.gz MUFCCXRRTVMACA-STQMWFEESA-N 2 2 294.399 0.314 20 0 CCADLP Cn1nccc1C[NH+]1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001373531063 930234546 /nfs/dbraw/zinc/23/45/46/930234546.db2.gz JCJFGMFVQAGMQJ-UHFFFAOYSA-N 2 2 293.415 0.310 20 0 CCADLP CC[C@@H](C[N@H+](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1)OC ZINC001445823154 930258109 /nfs/dbraw/zinc/25/81/09/930258109.db2.gz RQJFMXXZNAHAAE-YPMHNXCESA-N 2 2 282.388 0.814 20 0 CCADLP CC[C@@H](C[N@@H+](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1)OC ZINC001445823154 930258115 /nfs/dbraw/zinc/25/81/15/930258115.db2.gz RQJFMXXZNAHAAE-YPMHNXCESA-N 2 2 282.388 0.814 20 0 CCADLP CC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CC(N)=O)C1)[NH+](CC)CC ZINC001373682529 930299391 /nfs/dbraw/zinc/29/93/91/930299391.db2.gz RXAGVNWQXXZVBH-OLZOCXBDSA-N 2 2 298.431 0.125 20 0 CCADLP CC[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](CC(N)=O)C1)[NH+](CC)CC ZINC001373682529 930299406 /nfs/dbraw/zinc/29/94/06/930299406.db2.gz RXAGVNWQXXZVBH-OLZOCXBDSA-N 2 2 298.431 0.125 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC1([NH2+]Cc2cccnc2)CC1 ZINC001446244836 930375063 /nfs/dbraw/zinc/37/50/63/930375063.db2.gz BVLLGMBMDMRFAD-UHFFFAOYSA-N 2 2 285.351 0.786 20 0 CCADLP COC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001374102921 930423988 /nfs/dbraw/zinc/42/39/88/930423988.db2.gz BLTSNOMHTSMZIF-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1C[N@H+](CC2CC2)CCO1 ZINC001374155176 930436840 /nfs/dbraw/zinc/43/68/40/930436840.db2.gz YOXSIRKORVVMTH-CQSZACIVSA-N 2 2 292.383 0.190 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1C[N@@H+](CC2CC2)CCO1 ZINC001374155176 930436844 /nfs/dbraw/zinc/43/68/44/930436844.db2.gz YOXSIRKORVVMTH-CQSZACIVSA-N 2 2 292.383 0.190 20 0 CCADLP C[C@@H](O)C[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CCCC1 ZINC001374167303 930439239 /nfs/dbraw/zinc/43/92/39/930439239.db2.gz WCUMMXAKJMOPRY-CYBMUJFWSA-N 2 2 294.399 0.673 20 0 CCADLP Cc1nnc(C[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]2CCCC2)[nH]1 ZINC001374325291 930485967 /nfs/dbraw/zinc/48/59/67/930485967.db2.gz INQJKDNGEVAYHJ-LLVKDONJSA-N 2 2 294.403 0.145 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@@H](O)C[NH2+]CC(C)C)c[nH+]1 ZINC001374612925 930594807 /nfs/dbraw/zinc/59/48/07/930594807.db2.gz BTKBPDYSSVNZPB-ZDUSSCGKSA-N 2 2 296.415 0.649 20 0 CCADLP COCC[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001447302339 930601835 /nfs/dbraw/zinc/60/18/35/930601835.db2.gz HQNWXENGJXQPII-CYBMUJFWSA-N 2 2 294.399 0.959 20 0 CCADLP COCC[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001447302339 930601853 /nfs/dbraw/zinc/60/18/53/930601853.db2.gz HQNWXENGJXQPII-CYBMUJFWSA-N 2 2 294.399 0.959 20 0 CCADLP COCC[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001447302339 930601873 /nfs/dbraw/zinc/60/18/73/930601873.db2.gz HQNWXENGJXQPII-CYBMUJFWSA-N 2 2 294.399 0.959 20 0 CCADLP COCC[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001447302339 930601879 /nfs/dbraw/zinc/60/18/79/930601879.db2.gz HQNWXENGJXQPII-CYBMUJFWSA-N 2 2 294.399 0.959 20 0 CCADLP CCN(CC[NH2+][C@@H](C)c1nnc(C)o1)C(=O)CC[NH+](C)C ZINC001374759043 930650892 /nfs/dbraw/zinc/65/08/92/930650892.db2.gz TZZKONKGRQZHSS-NSHDSACASA-N 2 2 297.403 0.829 20 0 CCADLP CC[NH2+]CC1(O)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001447597285 930667961 /nfs/dbraw/zinc/66/79/61/930667961.db2.gz FIVXVLPELQDKJU-CYBMUJFWSA-N 2 2 294.399 0.797 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H](NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001375240665 930826007 /nfs/dbraw/zinc/82/60/07/930826007.db2.gz JZVQYWYYLIKSCK-AAEUAGOBSA-N 2 2 280.372 0.138 20 0 CCADLP CN(C(=O)CCC[NH+](C)C)C1C[NH+](CCn2cccn2)C1 ZINC001375696785 930953002 /nfs/dbraw/zinc/95/30/02/930953002.db2.gz NNLSSCQXFSBBDS-UHFFFAOYSA-N 2 2 293.415 0.368 20 0 CCADLP CC1CC(C[NH+]2CC(O)(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001376139636 931065460 /nfs/dbraw/zinc/06/54/60/931065460.db2.gz DSFRKACROZWVKK-RUXDESIVSA-N 2 2 295.427 0.290 20 0 CCADLP CC1CC(C[NH+]2CC(O)(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001376139636 931065466 /nfs/dbraw/zinc/06/54/66/931065466.db2.gz DSFRKACROZWVKK-RUXDESIVSA-N 2 2 295.427 0.290 20 0 CCADLP C[C@H](CC(=O)NC[C@@H]([NH2+]CCO)C1CC1)n1cc[nH+]c1 ZINC001376247333 931104224 /nfs/dbraw/zinc/10/42/24/931104224.db2.gz VVPSZFHZAHPJAT-DGCLKSJQSA-N 2 2 280.372 0.311 20 0 CCADLP COC[C@H](C)[NH2+][C@H](CNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001376250665 931104482 /nfs/dbraw/zinc/10/44/82/931104482.db2.gz MTCJRTXBSXZJEO-CMPLNLGQSA-N 2 2 280.372 0.472 20 0 CCADLP CC[C@H](C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1)OC ZINC001376487112 931164136 /nfs/dbraw/zinc/16/41/36/931164136.db2.gz HQXYBBRSZRKSHX-NTZNESFSSA-N 2 2 280.372 0.614 20 0 CCADLP C[C@H](O)C[N@@H+]1CCC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001376513815 931170708 /nfs/dbraw/zinc/17/07/08/931170708.db2.gz WCWQIBMJVKFNMT-QWHCGFSZSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](O)C[N@H+]1CCC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001376513815 931170710 /nfs/dbraw/zinc/17/07/10/931170710.db2.gz WCWQIBMJVKFNMT-QWHCGFSZSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](O)C[N@@H+]1CCC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001376513815 931170712 /nfs/dbraw/zinc/17/07/12/931170712.db2.gz WCWQIBMJVKFNMT-QWHCGFSZSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](O)C[N@H+]1CCC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001376513815 931170714 /nfs/dbraw/zinc/17/07/14/931170714.db2.gz WCWQIBMJVKFNMT-QWHCGFSZSA-N 2 2 294.399 0.551 20 0 CCADLP CC[C@@H](C(=O)NCC1([NH2+]Cc2cnon2)CCC1)[NH+](C)C ZINC001376809649 931283868 /nfs/dbraw/zinc/28/38/68/931283868.db2.gz NKPSTTYFVDPACF-LBPRGKRZSA-N 2 2 295.387 0.538 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@H](C)[NH2+]C[C@H]1CCOC1 ZINC001377093776 931377753 /nfs/dbraw/zinc/37/77/53/931377753.db2.gz FYTNOIQINZACEE-WCQYABFASA-N 2 2 294.399 0.782 20 0 CCADLP C[N@H+](CCNC(=O)CCn1cc[nH+]c1)C[C@@H]1CCOC1 ZINC001377199086 931423484 /nfs/dbraw/zinc/42/34/84/931423484.db2.gz SARGJNYDBISDDU-ZDUSSCGKSA-N 2 2 280.372 0.358 20 0 CCADLP C[N@@H+](CCNC(=O)CCn1cc[nH+]c1)C[C@@H]1CCOC1 ZINC001377199086 931423492 /nfs/dbraw/zinc/42/34/92/931423492.db2.gz SARGJNYDBISDDU-ZDUSSCGKSA-N 2 2 280.372 0.358 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC1(C[NH2+]CC2CC2)CCOCC1 ZINC001377207388 931425596 /nfs/dbraw/zinc/42/55/96/931425596.db2.gz ZQCHIXJANFNPMO-UHFFFAOYSA-N 2 2 292.383 0.617 20 0 CCADLP C[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000082256010 177928680 /nfs/dbraw/zinc/92/86/80/177928680.db2.gz GKHGDADMSNFYOQ-VXGBXAGGSA-N 2 2 262.357 0.634 20 0 CCADLP C[C@H]1[NH2+]CC[C@H]1C(=O)NCCCCn1cc[nH+]c1 ZINC000092956397 349515452 /nfs/dbraw/zinc/51/54/52/349515452.db2.gz AGVAELPCKDSVPY-VXGBXAGGSA-N 2 2 250.346 0.778 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000423877321 529374791 /nfs/dbraw/zinc/37/47/91/529374791.db2.gz OWYXWGXRXJZZGQ-QLFBSQMISA-N 2 2 295.427 0.698 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccnn3C)C2)CC1 ZINC000093133201 349527287 /nfs/dbraw/zinc/52/72/87/349527287.db2.gz UNBGOIUZTPOEQR-HNNXBMFYSA-N 2 2 277.416 0.632 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccnn3C)C2)CC1 ZINC000093133201 349527291 /nfs/dbraw/zinc/52/72/91/349527291.db2.gz UNBGOIUZTPOEQR-HNNXBMFYSA-N 2 2 277.416 0.632 20 0 CCADLP CC[N@H+](CCc1nccs1)CC(=O)N1CC[NH+](C)CC1 ZINC000093208593 349530978 /nfs/dbraw/zinc/53/09/78/349530978.db2.gz PIXVQHUPJDIRSF-UHFFFAOYSA-N 2 2 296.440 0.782 20 0 CCADLP CC[N@@H+](CCc1nccs1)CC(=O)N1CC[NH+](C)CC1 ZINC000093208593 349530982 /nfs/dbraw/zinc/53/09/82/349530982.db2.gz PIXVQHUPJDIRSF-UHFFFAOYSA-N 2 2 296.440 0.782 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000617345042 365612809 /nfs/dbraw/zinc/61/28/09/365612809.db2.gz VYXQQXXRBOQSMV-NSHDSACASA-N 2 2 264.373 0.952 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000617345042 365612810 /nfs/dbraw/zinc/61/28/10/365612810.db2.gz VYXQQXXRBOQSMV-NSHDSACASA-N 2 2 264.373 0.952 20 0 CCADLP O=C(NCC[NH+]1CCOCC1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000082802935 178302675 /nfs/dbraw/zinc/30/26/75/178302675.db2.gz WJZDOGOXBCNBBQ-HNNXBMFYSA-N 2 2 289.379 0.322 20 0 CCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cn1cc[nH+]c1 ZINC000617505999 365659579 /nfs/dbraw/zinc/65/95/79/365659579.db2.gz XMROFTBPDSWDDP-ZDUSSCGKSA-N 3 2 281.404 0.271 20 0 CCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cn1cc[nH+]c1 ZINC000617505999 365659583 /nfs/dbraw/zinc/65/95/83/365659583.db2.gz XMROFTBPDSWDDP-ZDUSSCGKSA-N 3 2 281.404 0.271 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000094342079 349567908 /nfs/dbraw/zinc/56/79/08/349567908.db2.gz GUEUMGWJWUPGGI-GHMZBOCLSA-N 2 2 270.377 0.281 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000094342079 349567913 /nfs/dbraw/zinc/56/79/13/349567913.db2.gz GUEUMGWJWUPGGI-GHMZBOCLSA-N 2 2 270.377 0.281 20 0 CCADLP [NH3+]CCCOC1CC[NH+](CC(=O)Nc2nccs2)CC1 ZINC000094072937 349559854 /nfs/dbraw/zinc/55/98/54/349559854.db2.gz WRYUUIFLHWMHBP-UHFFFAOYSA-N 2 2 298.412 0.911 20 0 CCADLP CC[C@@H](CCO)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000094949504 349579674 /nfs/dbraw/zinc/57/96/74/349579674.db2.gz SUARNYKNUAZYDJ-NSHDSACASA-N 2 2 254.378 0.984 20 0 CCADLP CC[C@]1(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)CCC[NH2+]1 ZINC000423934274 529386909 /nfs/dbraw/zinc/38/69/09/529386909.db2.gz VGNGODGNDGYUSQ-GZBFAFLISA-N 2 2 281.400 0.450 20 0 CCADLP CC[C@]1(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)CCC[NH2+]1 ZINC000423934274 529386911 /nfs/dbraw/zinc/38/69/11/529386911.db2.gz VGNGODGNDGYUSQ-GZBFAFLISA-N 2 2 281.400 0.450 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CCO1 ZINC000418805006 529392433 /nfs/dbraw/zinc/39/24/33/529392433.db2.gz ZRAWDCDICXFVSK-HZSPNIEDSA-N 2 2 298.431 0.524 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CCO1 ZINC000418805006 529392434 /nfs/dbraw/zinc/39/24/34/529392434.db2.gz ZRAWDCDICXFVSK-HZSPNIEDSA-N 2 2 298.431 0.524 20 0 CCADLP C[NH+]1CCC2(CC1)CN(C(=O)C[NH+]1CC(C)(C)C1)CCO2 ZINC000655159812 412494124 /nfs/dbraw/zinc/49/41/24/412494124.db2.gz RIGWHRZVOKCUCH-UHFFFAOYSA-N 2 2 295.427 0.651 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000337990213 214346853 /nfs/dbraw/zinc/34/68/53/214346853.db2.gz HDFNMLMTTVRJDZ-CQSZACIVSA-N 2 2 282.432 0.175 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000418728263 529445867 /nfs/dbraw/zinc/44/58/67/529445867.db2.gz NBUBBEGJSUEXCI-ZDUSSCGKSA-N 2 2 291.399 0.646 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000423674511 529452046 /nfs/dbraw/zinc/45/20/46/529452046.db2.gz GUYQXOZUNVZSJS-AAEUAGOBSA-N 2 2 269.389 0.483 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000423674511 529452049 /nfs/dbraw/zinc/45/20/49/529452049.db2.gz GUYQXOZUNVZSJS-AAEUAGOBSA-N 2 2 269.389 0.483 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000423674550 529452267 /nfs/dbraw/zinc/45/22/67/529452267.db2.gz GXKLCGVGXAQDTK-QWHCGFSZSA-N 2 2 269.389 0.341 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000423674550 529452268 /nfs/dbraw/zinc/45/22/68/529452268.db2.gz GXKLCGVGXAQDTK-QWHCGFSZSA-N 2 2 269.389 0.341 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000449608208 529452560 /nfs/dbraw/zinc/45/25/60/529452560.db2.gz FXQPAHDOSNOFET-HNNXBMFYSA-N 2 2 291.395 0.986 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)NCC[N@H+](C)CCOC ZINC000492316845 529558471 /nfs/dbraw/zinc/55/84/71/529558471.db2.gz IFRNEIFNSSLKEW-WAYWQWQTSA-N 2 2 280.372 0.611 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)NCC[N@@H+](C)CCOC ZINC000492316845 529558473 /nfs/dbraw/zinc/55/84/73/529558473.db2.gz IFRNEIFNSSLKEW-WAYWQWQTSA-N 2 2 280.372 0.611 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000418712374 529559182 /nfs/dbraw/zinc/55/91/82/529559182.db2.gz NVSHNTYBSTXOCK-OLZOCXBDSA-N 2 2 284.404 0.230 20 0 CCADLP C[N@H+](CCN1CC[NH+](CC(N)=O)CC1)Cc1ccccc1 ZINC000104087950 349707312 /nfs/dbraw/zinc/70/73/12/349707312.db2.gz FFAWALYSUOVODR-UHFFFAOYSA-N 2 2 290.411 0.221 20 0 CCADLP C[N@@H+](CCN1CC[NH+](CC(N)=O)CC1)Cc1ccccc1 ZINC000104087950 349707318 /nfs/dbraw/zinc/70/73/18/349707318.db2.gz FFAWALYSUOVODR-UHFFFAOYSA-N 2 2 290.411 0.221 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000423674549 529566301 /nfs/dbraw/zinc/56/63/01/529566301.db2.gz GXKLCGVGXAQDTK-OLZOCXBDSA-N 2 2 269.389 0.341 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000423674549 529566303 /nfs/dbraw/zinc/56/63/03/529566303.db2.gz GXKLCGVGXAQDTK-OLZOCXBDSA-N 2 2 269.389 0.341 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+](CC(=O)NC3CC3)CC2)c1 ZINC000104718994 349717945 /nfs/dbraw/zinc/71/79/45/349717945.db2.gz AYNZEXOTSSMIOC-UHFFFAOYSA-N 2 2 290.367 0.491 20 0 CCADLP CN(Cc1ccccc1)C(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107574240 349738533 /nfs/dbraw/zinc/73/85/33/349738533.db2.gz ILHYTILKWYVGSU-GJZGRUSLSA-N 2 2 273.380 0.796 20 0 CCADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)NCc1ccccc1 ZINC000107854696 349740525 /nfs/dbraw/zinc/74/05/25/349740525.db2.gz DIRUDBYYTUICAD-ZIAGYGMSSA-N 2 2 259.353 0.454 20 0 CCADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)NC1CCCCC1 ZINC000107854961 349740723 /nfs/dbraw/zinc/74/07/23/349740723.db2.gz OPOUZNPWBDYNFL-VXGBXAGGSA-N 2 2 251.374 0.587 20 0 CCADLP O=C(NCCn1cc[nH+]c1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108536631 349748703 /nfs/dbraw/zinc/74/87/03/349748703.db2.gz IFUSZLSTZSSIMS-ZDUSSCGKSA-N 2 2 277.372 0.667 20 0 CCADLP C(C[NH+]1CCOCC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000600636106 362025834 /nfs/dbraw/zinc/02/58/34/362025834.db2.gz XEPAQLUSZAODBG-CQSZACIVSA-N 2 2 253.390 0.489 20 0 CCADLP COC(=O)c1cnc(C[N@H+](C)CC(C)(C)C[NH3+])cn1 ZINC000600707653 362039352 /nfs/dbraw/zinc/03/93/52/362039352.db2.gz ZWBGPHKEDXLVDI-UHFFFAOYSA-N 2 2 266.345 0.680 20 0 CCADLP COC(=O)c1cnc(C[N@@H+](C)CC(C)(C)C[NH3+])cn1 ZINC000600707653 362039356 /nfs/dbraw/zinc/03/93/56/362039356.db2.gz ZWBGPHKEDXLVDI-UHFFFAOYSA-N 2 2 266.345 0.680 20 0 CCADLP CC[C@H]1C[N@H+](Cc2cnc(C(=O)OC)cn2)CC[C@H]1[NH3+] ZINC000600711880 362042200 /nfs/dbraw/zinc/04/22/00/362042200.db2.gz TWPMYAGJJVIIGQ-CMPLNLGQSA-N 2 2 278.356 0.822 20 0 CCADLP CC[C@H]1C[N@@H+](Cc2cnc(C(=O)OC)cn2)CC[C@H]1[NH3+] ZINC000600711880 362042203 /nfs/dbraw/zinc/04/22/03/362042203.db2.gz TWPMYAGJJVIIGQ-CMPLNLGQSA-N 2 2 278.356 0.822 20 0 CCADLP COC(=O)c1cnc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cn1 ZINC000600711404 362042224 /nfs/dbraw/zinc/04/22/24/362042224.db2.gz SYUQBAQOYPZSLV-NXEZZACHSA-N 2 2 264.329 0.432 20 0 CCADLP COC(=O)c1cnc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cn1 ZINC000600711404 362042229 /nfs/dbraw/zinc/04/22/29/362042229.db2.gz SYUQBAQOYPZSLV-NXEZZACHSA-N 2 2 264.329 0.432 20 0 CCADLP COCc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)o1 ZINC000600769007 362056598 /nfs/dbraw/zinc/05/65/98/362056598.db2.gz IYUGSNLJVHFKDD-GXFFZTMASA-N 2 2 279.340 0.170 20 0 CCADLP COCc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)o1 ZINC000600769007 362056600 /nfs/dbraw/zinc/05/66/00/362056600.db2.gz IYUGSNLJVHFKDD-GXFFZTMASA-N 2 2 279.340 0.170 20 0 CCADLP C[NH+]1CCN(CC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC1 ZINC000600980987 362115121 /nfs/dbraw/zinc/11/51/21/362115121.db2.gz QIWOAKKJOPPEAN-CYBMUJFWSA-N 2 2 291.399 0.711 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CCC[NH+]2C2CC2)[C@H](C)CO1 ZINC000617726196 365733541 /nfs/dbraw/zinc/73/35/41/365733541.db2.gz UCNOVRHXUXUFKX-UMVBOHGHSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CCC[NH+]2C2CC2)[C@H](C)CO1 ZINC000617726196 365733550 /nfs/dbraw/zinc/73/35/50/365733550.db2.gz UCNOVRHXUXUFKX-UMVBOHGHSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CCC[N@@H+]2C2CC2)[C@H](C)CO1 ZINC000617726196 365733552 /nfs/dbraw/zinc/73/35/52/365733552.db2.gz UCNOVRHXUXUFKX-UMVBOHGHSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CCC[N@H+]2C2CC2)[C@H](C)CO1 ZINC000617726196 365733557 /nfs/dbraw/zinc/73/35/57/365733557.db2.gz UCNOVRHXUXUFKX-UMVBOHGHSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)CC2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000617728526 365739242 /nfs/dbraw/zinc/73/92/42/365739242.db2.gz VJLKMZLTJMIUMR-UONOGXRCSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)CC2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000617728526 365739244 /nfs/dbraw/zinc/73/92/44/365739244.db2.gz VJLKMZLTJMIUMR-UONOGXRCSA-N 2 2 297.443 0.944 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000601008974 362128876 /nfs/dbraw/zinc/12/88/76/362128876.db2.gz YFBZISRHRRZTBI-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000601008974 362128881 /nfs/dbraw/zinc/12/88/81/362128881.db2.gz YFBZISRHRRZTBI-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP CC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000456524770 529699197 /nfs/dbraw/zinc/69/91/97/529699197.db2.gz GQBWNWYDHUVNCS-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000456524770 529699200 /nfs/dbraw/zinc/69/92/00/529699200.db2.gz GQBWNWYDHUVNCS-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)CCn2cc[nH+]c2)[C@H](C)CO1 ZINC000617734034 365746424 /nfs/dbraw/zinc/74/64/24/365746424.db2.gz ZKKZNJOGCAPBSW-CHWSQXEVSA-N 2 2 280.372 0.499 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)CCn2cc[nH+]c2)[C@H](C)CO1 ZINC000617734034 365746431 /nfs/dbraw/zinc/74/64/31/365746431.db2.gz ZKKZNJOGCAPBSW-CHWSQXEVSA-N 2 2 280.372 0.499 20 0 CCADLP C[C@@H](CCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)[NH+](C)C ZINC000617760641 365763631 /nfs/dbraw/zinc/76/36/31/365763631.db2.gz CGIHGQHZHZPIGA-WDEREUQCSA-N 2 2 264.373 0.971 20 0 CCADLP C[C@@H](CCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)[NH+](C)C ZINC000617760641 365763634 /nfs/dbraw/zinc/76/36/34/365763634.db2.gz CGIHGQHZHZPIGA-WDEREUQCSA-N 2 2 264.373 0.971 20 0 CCADLP CCn1ccc(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000617763574 365765823 /nfs/dbraw/zinc/76/58/23/365765823.db2.gz VHSLGMGSLNTGAI-UHFFFAOYSA-N 2 2 295.431 0.445 20 0 CCADLP CCn1ccc(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000617763574 365765829 /nfs/dbraw/zinc/76/58/29/365765829.db2.gz VHSLGMGSLNTGAI-UHFFFAOYSA-N 2 2 295.431 0.445 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc2n(n1)CCC2 ZINC000617763202 365767153 /nfs/dbraw/zinc/76/71/53/365767153.db2.gz IZSJOAKKXCWZBP-UHFFFAOYSA-N 2 2 293.415 0.443 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc2n(n1)CCC2 ZINC000617763202 365767159 /nfs/dbraw/zinc/76/71/59/365767159.db2.gz IZSJOAKKXCWZBP-UHFFFAOYSA-N 2 2 293.415 0.443 20 0 CCADLP C[C@@H]1C(=O)CC[C@H]1CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764184 365768947 /nfs/dbraw/zinc/76/89/47/365768947.db2.gz MAUHFSNNCZVBAW-KBPBESRZSA-N 2 2 297.443 0.991 20 0 CCADLP C[C@@H]1C(=O)CC[C@H]1CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764184 365768949 /nfs/dbraw/zinc/76/89/49/365768949.db2.gz MAUHFSNNCZVBAW-KBPBESRZSA-N 2 2 297.443 0.991 20 0 CCADLP C[C@H]1C[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)CCO1 ZINC000617765160 365768958 /nfs/dbraw/zinc/76/89/58/365768958.db2.gz VWUAMUCYKNBMRR-UONOGXRCSA-N 2 2 285.432 0.801 20 0 CCADLP C[C@H]1C[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCO1 ZINC000617765160 365768962 /nfs/dbraw/zinc/76/89/62/365768962.db2.gz VWUAMUCYKNBMRR-UONOGXRCSA-N 2 2 285.432 0.801 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@H]1CCCC(=O)N1 ZINC000617764218 365769014 /nfs/dbraw/zinc/76/90/14/365769014.db2.gz NKYKYBXFOKSVCO-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@H]1CCCC(=O)N1 ZINC000617764218 365769018 /nfs/dbraw/zinc/76/90/18/365769018.db2.gz NKYKYBXFOKSVCO-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(=O)[nH]c1 ZINC000617768485 365773278 /nfs/dbraw/zinc/77/32/78/365773278.db2.gz GDWZAFBDIRQYEM-UHFFFAOYSA-N 2 2 280.372 0.401 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(=O)[nH]c1 ZINC000617768485 365773283 /nfs/dbraw/zinc/77/32/83/365773283.db2.gz GDWZAFBDIRQYEM-UHFFFAOYSA-N 2 2 280.372 0.401 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cn[nH]c1 ZINC000617767156 365773893 /nfs/dbraw/zinc/77/38/93/365773893.db2.gz IYPWCRARWLTWHR-UHFFFAOYSA-N 2 2 253.350 0.023 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cn[nH]c1 ZINC000617767156 365773899 /nfs/dbraw/zinc/77/38/99/365773899.db2.gz IYPWCRARWLTWHR-UHFFFAOYSA-N 2 2 253.350 0.023 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1ccon1 ZINC000617766433 365770860 /nfs/dbraw/zinc/77/08/60/365770860.db2.gz JXEJMEVMCQRBBP-UHFFFAOYSA-N 2 2 268.361 0.217 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1ccon1 ZINC000617766433 365770867 /nfs/dbraw/zinc/77/08/67/365770867.db2.gz JXEJMEVMCQRBBP-UHFFFAOYSA-N 2 2 268.361 0.217 20 0 CCADLP CC[C@@H]1CC[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)O1 ZINC000617765592 365771084 /nfs/dbraw/zinc/77/10/84/365771084.db2.gz IHKFJGRZUYZXDZ-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP CC[C@@H]1CC[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)O1 ZINC000617765592 365771087 /nfs/dbraw/zinc/77/10/87/365771087.db2.gz IHKFJGRZUYZXDZ-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP CCOCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114479258 349832799 /nfs/dbraw/zinc/83/27/99/349832799.db2.gz YZLBYDKEZVXUTG-ZIAGYGMSSA-N 2 2 285.432 0.801 20 0 CCADLP CCOCCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114479258 349832801 /nfs/dbraw/zinc/83/28/01/349832801.db2.gz YZLBYDKEZVXUTG-ZIAGYGMSSA-N 2 2 285.432 0.801 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2CC[C@@H](O)C2(C)C)n1C ZINC000425378432 529808074 /nfs/dbraw/zinc/80/80/74/529808074.db2.gz JMMMVYHDCUZEFG-LLVKDONJSA-N 2 2 252.362 0.831 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2CC[C@@H](O)C2(C)C)n1C ZINC000425378432 529808075 /nfs/dbraw/zinc/80/80/75/529808075.db2.gz JMMMVYHDCUZEFG-LLVKDONJSA-N 2 2 252.362 0.831 20 0 CCADLP CNc1nc(NC[C@@](C)(O)C[NH+](C)C)[nH+]c2ccccc21 ZINC000450407753 529833622 /nfs/dbraw/zinc/83/36/22/529833622.db2.gz RRZPKMHRUDQNKK-OAHLLOKOSA-N 2 2 289.383 0.240 20 0 CCADLP COC[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000128114999 187351786 /nfs/dbraw/zinc/35/17/86/187351786.db2.gz OIQCLTBFLJWLGY-XQQFMLRXSA-N 2 2 253.346 0.773 20 0 CCADLP COC[C@H](O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000128114999 187351787 /nfs/dbraw/zinc/35/17/87/187351787.db2.gz OIQCLTBFLJWLGY-XQQFMLRXSA-N 2 2 253.346 0.773 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCS[C@H](C(C)C)C1 ZINC000576422232 335201953 /nfs/dbraw/zinc/20/19/53/335201953.db2.gz OBGFFCPIUTTWOO-KBPBESRZSA-N 2 2 290.473 0.999 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCS[C@H](C(C)C)C1 ZINC000576422232 335201955 /nfs/dbraw/zinc/20/19/55/335201955.db2.gz OBGFFCPIUTTWOO-KBPBESRZSA-N 2 2 290.473 0.999 20 0 CCADLP CNC(=O)[C@H](C)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000426344613 529917100 /nfs/dbraw/zinc/91/71/00/529917100.db2.gz JSJFCOXHJTXMJW-LBPRGKRZSA-N 2 2 276.384 0.770 20 0 CCADLP C[N@H+](CCO)C1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493104750 529919854 /nfs/dbraw/zinc/91/98/54/529919854.db2.gz KNLAHUNQSFGLIV-NSCUHMNNSA-N 2 2 278.356 0.338 20 0 CCADLP C[N@@H+](CCO)C1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493104750 529919855 /nfs/dbraw/zinc/91/98/55/529919855.db2.gz KNLAHUNQSFGLIV-NSCUHMNNSA-N 2 2 278.356 0.338 20 0 CCADLP CCCn1cc(CN2CC[N@H+](C)C[C@H]2C[NH3+])cn1 ZINC000300084766 260211034 /nfs/dbraw/zinc/21/10/34/260211034.db2.gz JIGAOYVNPHCFBX-CYBMUJFWSA-N 2 2 251.378 0.368 20 0 CCADLP CCCn1cc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])cn1 ZINC000300084766 260211035 /nfs/dbraw/zinc/21/10/35/260211035.db2.gz JIGAOYVNPHCFBX-CYBMUJFWSA-N 2 2 251.378 0.368 20 0 CCADLP C[NH2+]CCNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000418325567 529975881 /nfs/dbraw/zinc/97/58/81/529975881.db2.gz JCDJIGNUZUTIAH-LBPRGKRZSA-N 2 2 264.329 0.464 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)CC1 ZINC000451713171 530068195 /nfs/dbraw/zinc/06/81/95/530068195.db2.gz RKDDSQCWIMVXQU-QLFBSQMISA-N 2 2 295.427 0.243 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)CC1 ZINC000451713171 530068196 /nfs/dbraw/zinc/06/81/96/530068196.db2.gz RKDDSQCWIMVXQU-QLFBSQMISA-N 2 2 295.427 0.243 20 0 CCADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000236726306 282383842 /nfs/dbraw/zinc/38/38/42/282383842.db2.gz WSMVGQHNMNYBFU-AWEZNQCLSA-N 2 2 294.399 0.919 20 0 CCADLP Cc1cccn2cc(CNC(=O)[C@@]3(F)CC[NH2+]C3)[nH+]c12 ZINC000361730551 232210495 /nfs/dbraw/zinc/21/04/95/232210495.db2.gz YJKIMDORLWMIHQ-CQSZACIVSA-N 2 2 276.315 0.961 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000684361584 545656092 /nfs/dbraw/zinc/65/60/92/545656092.db2.gz VJLSYPLXFWVENZ-CQSZACIVSA-N 2 2 292.383 0.666 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000684361584 545656097 /nfs/dbraw/zinc/65/60/97/545656097.db2.gz VJLSYPLXFWVENZ-CQSZACIVSA-N 2 2 292.383 0.666 20 0 CCADLP COC(=O)[C@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119606208 349943430 /nfs/dbraw/zinc/94/34/30/349943430.db2.gz VHWIXCOUJMCRRU-RDGKXADDSA-N 2 2 295.427 0.791 20 0 CCADLP COC(=O)[C@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119606208 349943432 /nfs/dbraw/zinc/94/34/32/349943432.db2.gz VHWIXCOUJMCRRU-RDGKXADDSA-N 2 2 295.427 0.791 20 0 CCADLP CC[NH+]1CCN(C(=O)c2ccc(C[NH+](C)C)nc2)CC1 ZINC000339231047 215030048 /nfs/dbraw/zinc/03/00/48/215030048.db2.gz MRPIURVAIBKYKI-UHFFFAOYSA-N 2 2 276.384 0.921 20 0 CCADLP CC[C@@H](C(=O)N1CC[NH+](C)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339238361 215032489 /nfs/dbraw/zinc/03/24/89/215032489.db2.gz MMIFWUQMZNHUMN-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@@H](C(=O)N1CC[NH+](C)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000339238361 215032493 /nfs/dbraw/zinc/03/24/93/215032493.db2.gz MMIFWUQMZNHUMN-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2O)CC1 ZINC000602742676 362777746 /nfs/dbraw/zinc/77/77/46/362777746.db2.gz MVZRUNHJAFPDKW-KBPBESRZSA-N 2 2 284.400 0.907 20 0 CCADLP Cn1ncc2c1nc[nH+]c2NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252668331 137003611 /nfs/dbraw/zinc/00/36/11/137003611.db2.gz USACENIAPXADQX-WDEREUQCSA-N 2 2 288.355 0.638 20 0 CCADLP Cn1ncc2c1nc[nH+]c2NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252668331 137003612 /nfs/dbraw/zinc/00/36/12/137003612.db2.gz USACENIAPXADQX-WDEREUQCSA-N 2 2 288.355 0.638 20 0 CCADLP [NH3+]CC[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000258627434 137005839 /nfs/dbraw/zinc/00/58/39/137005839.db2.gz CTUWVQGNIRQAPF-UHFFFAOYSA-N 2 2 261.369 0.974 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)NCc1ccccc1 ZINC000261539024 137007229 /nfs/dbraw/zinc/00/72/29/137007229.db2.gz BJXCKZXNNYHFHN-HUUCEWRRSA-N 2 2 273.380 0.844 20 0 CCADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)NCc1ccccc1 ZINC000261539024 137007230 /nfs/dbraw/zinc/00/72/30/137007230.db2.gz BJXCKZXNNYHFHN-HUUCEWRRSA-N 2 2 273.380 0.844 20 0 CCADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261586903 137010313 /nfs/dbraw/zinc/01/03/13/137010313.db2.gz URWVJIREINEFNQ-YNEHKIRRSA-N 2 2 253.390 0.688 20 0 CCADLP CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261586903 137010314 /nfs/dbraw/zinc/01/03/14/137010314.db2.gz URWVJIREINEFNQ-YNEHKIRRSA-N 2 2 253.390 0.688 20 0 CCADLP Cn1cc(N2CC[C@@H]([N@@H+]3CC[C@@](C)(C[NH3+])C3)C2=O)cn1 ZINC000261606506 137011969 /nfs/dbraw/zinc/01/19/69/137011969.db2.gz ARITZKJVRYXIPP-OCCSQVGLSA-N 2 2 277.372 0.196 20 0 CCADLP Cn1cc(N2CC[C@@H]([N@H+]3CC[C@@](C)(C[NH3+])C3)C2=O)cn1 ZINC000261606506 137011970 /nfs/dbraw/zinc/01/19/70/137011970.db2.gz ARITZKJVRYXIPP-OCCSQVGLSA-N 2 2 277.372 0.196 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)[NH+]1CCOCC1 ZINC000262367523 137040863 /nfs/dbraw/zinc/04/08/63/137040863.db2.gz JPJAJHHIFBDQDQ-XQQFMLRXSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H](C[NH3+])C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000262393846 137042252 /nfs/dbraw/zinc/04/22/52/137042252.db2.gz OOLXMVCLKOLEKN-ZETCQYMHSA-N 2 2 264.251 0.656 20 0 CCADLP C[C@H](C[NH3+])C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000262483125 137044670 /nfs/dbraw/zinc/04/46/70/137044670.db2.gz ZTYMSXHTWGTMJN-LLVKDONJSA-N 2 2 278.356 0.129 20 0 CCADLP C[C@H](C[NH3+])C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000262534174 137046251 /nfs/dbraw/zinc/04/62/51/137046251.db2.gz MLHKSMXSCNPMDP-LLVKDONJSA-N 2 2 278.356 0.129 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000262692685 137050547 /nfs/dbraw/zinc/05/05/47/137050547.db2.gz ANQCIQCTWTXYJT-VNHYZAJKSA-N 2 2 283.416 0.731 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)NCc1[nH+]ccn1CC(C)C ZINC000262828253 137053868 /nfs/dbraw/zinc/05/38/68/137053868.db2.gz YZMZIQMLPAXRJL-NSHDSACASA-N 2 2 268.361 0.519 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263125119 137059001 /nfs/dbraw/zinc/05/90/01/137059001.db2.gz BEQUJZCLUMVLBS-GHMZBOCLSA-N 2 2 291.342 0.211 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263125119 137059002 /nfs/dbraw/zinc/05/90/02/137059002.db2.gz BEQUJZCLUMVLBS-GHMZBOCLSA-N 2 2 291.342 0.211 20 0 CCADLP CC(C)C[C@@H]1C(=O)NCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261792317 137020410 /nfs/dbraw/zinc/02/04/10/137020410.db2.gz GHMLXRZEIIYGKQ-QWHCGFSZSA-N 2 2 253.390 0.833 20 0 CCADLP CC(C)C[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261792317 137020411 /nfs/dbraw/zinc/02/04/11/137020411.db2.gz GHMLXRZEIIYGKQ-QWHCGFSZSA-N 2 2 253.390 0.833 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000261813426 137021283 /nfs/dbraw/zinc/02/12/83/137021283.db2.gz HWJJZTUOFFSUMM-BRWVUGGUSA-N 3 2 294.487 0.944 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000261813426 137021284 /nfs/dbraw/zinc/02/12/84/137021284.db2.gz HWJJZTUOFFSUMM-BRWVUGGUSA-N 3 2 294.487 0.944 20 0 CCADLP C[NH2+]CCC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000262326821 137038126 /nfs/dbraw/zinc/03/81/26/137038126.db2.gz GEZTWFUQRPDHPA-UHFFFAOYSA-N 2 2 259.313 0.493 20 0 CCADLP COCC[N@@H+]1CCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263317846 137063924 /nfs/dbraw/zinc/06/39/24/137063924.db2.gz ZSTAPRLQTGRCJL-NSHDSACASA-N 2 2 291.342 0.164 20 0 CCADLP COCC[N@H+]1CCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263317846 137063925 /nfs/dbraw/zinc/06/39/25/137063925.db2.gz ZSTAPRLQTGRCJL-NSHDSACASA-N 2 2 291.342 0.164 20 0 CCADLP CCC[C@H](C(=O)OCC)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000312232084 137076964 /nfs/dbraw/zinc/07/69/64/137076964.db2.gz DAXDUFVCMDWNOO-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000343067422 137113157 /nfs/dbraw/zinc/11/31/57/137113157.db2.gz UVGXWIGBIHFPAQ-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000343067422 137113158 /nfs/dbraw/zinc/11/31/58/137113158.db2.gz UVGXWIGBIHFPAQ-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000343067422 137113159 /nfs/dbraw/zinc/11/31/59/137113159.db2.gz UVGXWIGBIHFPAQ-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000343067422 137113160 /nfs/dbraw/zinc/11/31/60/137113160.db2.gz UVGXWIGBIHFPAQ-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCNC(=O)c1ccccc1 ZINC000343165843 137118770 /nfs/dbraw/zinc/11/87/70/137118770.db2.gz VNVWHAHXLATOAK-TZMCWYRMSA-N 2 2 261.369 0.956 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCNC(=O)c1ccccc1 ZINC000343165843 137118771 /nfs/dbraw/zinc/11/87/71/137118771.db2.gz VNVWHAHXLATOAK-TZMCWYRMSA-N 2 2 261.369 0.956 20 0 CCADLP C[N@H+](CC(=O)NCCc1[nH]cc[nH+]1)[C@@H]1CCSC1 ZINC000343578496 137143448 /nfs/dbraw/zinc/14/34/48/137143448.db2.gz KSSHKLGSTYNYCK-SNVBAGLBSA-N 2 2 268.386 0.506 20 0 CCADLP C[N@@H+](CC(=O)NCCc1[nH]cc[nH+]1)[C@@H]1CCSC1 ZINC000343578496 137143449 /nfs/dbraw/zinc/14/34/49/137143449.db2.gz KSSHKLGSTYNYCK-SNVBAGLBSA-N 2 2 268.386 0.506 20 0 CCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)CCO ZINC000343627804 137146052 /nfs/dbraw/zinc/14/60/52/137146052.db2.gz ULFFACLCCQCUDB-CYBMUJFWSA-N 2 2 292.383 0.043 20 0 CCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)CCO ZINC000343627804 137146053 /nfs/dbraw/zinc/14/60/53/137146053.db2.gz ULFFACLCCQCUDB-CYBMUJFWSA-N 2 2 292.383 0.043 20 0 CCADLP CCC[N@H+](CCN1CC[NH+](CC)CC1)CC(=O)OC ZINC000344152530 137180226 /nfs/dbraw/zinc/18/02/26/137180226.db2.gz UJMZPIMKGVBCBO-UHFFFAOYSA-N 2 2 271.405 0.509 20 0 CCADLP CCC[N@@H+](CCN1CC[NH+](CC)CC1)CC(=O)OC ZINC000344152530 137180227 /nfs/dbraw/zinc/18/02/27/137180227.db2.gz UJMZPIMKGVBCBO-UHFFFAOYSA-N 2 2 271.405 0.509 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1cccnc1N1CCOCC1 ZINC000343292332 137125457 /nfs/dbraw/zinc/12/54/57/137125457.db2.gz TUBPCYIFOFKQTD-UKRRQHHQSA-N 2 2 290.411 0.958 20 0 CCADLP Cc1noc(CN2CC[NH+](CCCn3cc[nH+]c3)CC2)n1 ZINC000343317549 137127538 /nfs/dbraw/zinc/12/75/38/137127538.db2.gz VXSSVNINCQBLAW-UHFFFAOYSA-N 2 2 290.371 0.782 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000343381449 137132011 /nfs/dbraw/zinc/13/20/11/137132011.db2.gz ZQAGKQZHIONVTN-XBFCOCLRSA-N 2 2 281.400 0.164 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000343381449 137132012 /nfs/dbraw/zinc/13/20/12/137132012.db2.gz ZQAGKQZHIONVTN-XBFCOCLRSA-N 2 2 281.400 0.164 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000343381449 137132013 /nfs/dbraw/zinc/13/20/13/137132013.db2.gz ZQAGKQZHIONVTN-XBFCOCLRSA-N 2 2 281.400 0.164 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000343381449 137132014 /nfs/dbraw/zinc/13/20/14/137132014.db2.gz ZQAGKQZHIONVTN-XBFCOCLRSA-N 2 2 281.400 0.164 20 0 CCADLP Cc1ccc(NCCCNC(=O)[C@H]2[NH2+]CCO[C@H]2C)[nH+]c1 ZINC000344453882 137195207 /nfs/dbraw/zinc/19/52/07/137195207.db2.gz ZZMZVODHNKAIGL-JSGCOSHPSA-N 2 2 292.383 0.107 20 0 CCADLP CO[C@H]1C[C@H](CN(C)Cc2[nH+]cc(C)n2C)[N@H+](C)C1 ZINC000344479355 137196380 /nfs/dbraw/zinc/19/63/80/137196380.db2.gz MIPLKJPQLNOBDX-OLZOCXBDSA-N 2 2 266.389 0.879 20 0 CCADLP CO[C@H]1C[C@H](CN(C)Cc2[nH+]cc(C)n2C)[N@@H+](C)C1 ZINC000344479355 137196381 /nfs/dbraw/zinc/19/63/81/137196381.db2.gz MIPLKJPQLNOBDX-OLZOCXBDSA-N 2 2 266.389 0.879 20 0 CCADLP CCCNC(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000013694386 348028992 /nfs/dbraw/zinc/02/89/92/348028992.db2.gz ITHNWMXZVVMOKT-UHFFFAOYSA-N 2 2 265.361 0.068 20 0 CCADLP Cc1noc(C)c1C[NH+]1CCN(CCC[NH3+])CC1 ZINC000031933875 348128747 /nfs/dbraw/zinc/12/87/47/348128747.db2.gz VAXCXOJMKLKFQR-UHFFFAOYSA-N 2 2 252.362 0.758 20 0 CCADLP Cc1noc(C)c1CN1CC[NH+](CCC[NH3+])CC1 ZINC000031933875 348128752 /nfs/dbraw/zinc/12/87/52/348128752.db2.gz VAXCXOJMKLKFQR-UHFFFAOYSA-N 2 2 252.362 0.758 20 0 CCADLP OCCOCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000037239862 348186079 /nfs/dbraw/zinc/18/60/79/348186079.db2.gz RAXHPWDXTGJDMP-UHFFFAOYSA-N 2 2 265.357 0.649 20 0 CCADLP CC(C)[NH2+]CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000037389788 348187276 /nfs/dbraw/zinc/18/72/76/348187276.db2.gz VNGWQUVQAUHQGW-UHFFFAOYSA-N 2 2 262.357 0.728 20 0 CCADLP CC[C@@H]([NH3+])C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000040770586 348241779 /nfs/dbraw/zinc/24/17/79/348241779.db2.gz LYBKZEFPGBARFB-OLZOCXBDSA-N 2 2 270.421 0.112 20 0 CCADLP CCCC[C@H]([NH3+])C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000040805267 348242709 /nfs/dbraw/zinc/24/27/09/348242709.db2.gz CMUUBXFEZRMFJI-LBPRGKRZSA-N 2 2 271.405 0.731 20 0 CCADLP O=C(C[C@@H]1CCC[NH2+]1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000042168893 348267993 /nfs/dbraw/zinc/26/79/93/348267993.db2.gz VEBPWOACLHHCLW-AWEZNQCLSA-N 2 2 288.395 0.868 20 0 CCADLP O=C(C[C@H]1CCC[NH2+]1)N1CCN(c2cccc[nH+]2)CC1 ZINC000042165601 348268078 /nfs/dbraw/zinc/26/80/78/348268078.db2.gz VNVGGTCKUDIBFL-CYBMUJFWSA-N 2 2 274.368 0.872 20 0 CCADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)NC3CCOCC3)C2)C1 ZINC000339435197 215167573 /nfs/dbraw/zinc/16/75/73/215167573.db2.gz AEDYRHBPLDBKLP-MRXNPFEDSA-N 2 2 295.427 0.699 20 0 CCADLP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)NC3CCOCC3)C2)C1 ZINC000339435197 215167575 /nfs/dbraw/zinc/16/75/75/215167575.db2.gz AEDYRHBPLDBKLP-MRXNPFEDSA-N 2 2 295.427 0.699 20 0 CCADLP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)NC3CCOCC3)C2)C1 ZINC000339435197 215167579 /nfs/dbraw/zinc/16/75/79/215167579.db2.gz AEDYRHBPLDBKLP-MRXNPFEDSA-N 2 2 295.427 0.699 20 0 CCADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)NC3CCOCC3)C2)C1 ZINC000339435197 215167583 /nfs/dbraw/zinc/16/75/83/215167583.db2.gz AEDYRHBPLDBKLP-MRXNPFEDSA-N 2 2 295.427 0.699 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000346296360 137277877 /nfs/dbraw/zinc/27/78/77/137277877.db2.gz VCZRNRXAJPYDPZ-QWHCGFSZSA-N 2 2 269.389 0.295 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000346316945 137278730 /nfs/dbraw/zinc/27/87/30/137278730.db2.gz IIMDJNWEXLVPLA-HNNXBMFYSA-N 2 2 276.384 0.907 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000346316945 137278731 /nfs/dbraw/zinc/27/87/31/137278731.db2.gz IIMDJNWEXLVPLA-HNNXBMFYSA-N 2 2 276.384 0.907 20 0 CCADLP [NH3+]C1CC[NH+](Cc2cnc(N3CCOCC3)s2)CC1 ZINC000346646583 137297018 /nfs/dbraw/zinc/29/70/18/137297018.db2.gz OOKJEDXHKOPLAB-UHFFFAOYSA-N 2 2 282.413 0.903 20 0 CCADLP NC(=O)[C@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCO1 ZINC000346158430 137270704 /nfs/dbraw/zinc/27/07/04/137270704.db2.gz BSTNMZNSZKZBJH-GFCCVEGCSA-N 2 2 292.364 0.620 20 0 CCADLP NC(=O)[C@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCO1 ZINC000346158430 137270705 /nfs/dbraw/zinc/27/07/05/137270705.db2.gz BSTNMZNSZKZBJH-GFCCVEGCSA-N 2 2 292.364 0.620 20 0 CCADLP CC(C)NS(=O)(=O)[C@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346984105 137314105 /nfs/dbraw/zinc/31/41/05/137314105.db2.gz OGQVMMWHHZGGDO-STQMWFEESA-N 2 2 289.445 0.388 20 0 CCADLP CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346984105 137314106 /nfs/dbraw/zinc/31/41/06/137314106.db2.gz OGQVMMWHHZGGDO-STQMWFEESA-N 2 2 289.445 0.388 20 0 CCADLP OC[C@H](O)C[N@H+](CCC(F)(F)F)C[C@H]1CCC[NH2+]C1 ZINC000346994287 137314606 /nfs/dbraw/zinc/31/46/06/137314606.db2.gz WLLASAGHYGTXDP-WDEREUQCSA-N 2 2 284.322 0.594 20 0 CCADLP OC[C@H](O)C[N@@H+](CCC(F)(F)F)C[C@H]1CCC[NH2+]C1 ZINC000346994287 137314607 /nfs/dbraw/zinc/31/46/07/137314607.db2.gz WLLASAGHYGTXDP-WDEREUQCSA-N 2 2 284.322 0.594 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000339445921 215177644 /nfs/dbraw/zinc/17/76/44/215177644.db2.gz AEZGNIRKVJPZGM-LBPRGKRZSA-N 2 2 277.372 0.809 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000339445921 215177647 /nfs/dbraw/zinc/17/76/47/215177647.db2.gz AEZGNIRKVJPZGM-LBPRGKRZSA-N 2 2 277.372 0.809 20 0 CCADLP C([C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC000346994068 137314715 /nfs/dbraw/zinc/31/47/15/137314715.db2.gz BREUTAZNTGSHQB-CABCVRRESA-N 3 2 267.417 0.640 20 0 CCADLP C([C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC000346994068 137314716 /nfs/dbraw/zinc/31/47/16/137314716.db2.gz BREUTAZNTGSHQB-CABCVRRESA-N 3 2 267.417 0.640 20 0 CCADLP COCC[NH+]1CCN(C(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000047027296 348370124 /nfs/dbraw/zinc/37/01/24/348370124.db2.gz WUKUKMBOPVZMKN-CYBMUJFWSA-N 2 2 295.387 0.245 20 0 CCADLP Cc1cccn2cc(CN3CC[NH+](CCO)CC3)[nH+]c12 ZINC000048581537 348417528 /nfs/dbraw/zinc/41/75/28/348417528.db2.gz GBBVVVMDVRDYQM-UHFFFAOYSA-N 2 2 274.368 0.753 20 0 CCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000349131652 137388454 /nfs/dbraw/zinc/38/84/54/137388454.db2.gz QSKBARIMTNDDEJ-HUUCEWRRSA-N 2 2 296.459 0.421 20 0 CCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000349131652 137388455 /nfs/dbraw/zinc/38/84/55/137388455.db2.gz QSKBARIMTNDDEJ-HUUCEWRRSA-N 2 2 296.459 0.421 20 0 CCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CC[C@H](O)C(F)(F)F)C1 ZINC000349335689 137392100 /nfs/dbraw/zinc/39/21/00/137392100.db2.gz VSXRFNDAOAAKPS-ZJUUUORDSA-N 2 2 270.295 0.610 20 0 CCADLP COCC[N@H+]1CC[C@@H]([NH2+]CC[C@H](O)C(F)(F)F)C1 ZINC000349335689 137392101 /nfs/dbraw/zinc/39/21/01/137392101.db2.gz VSXRFNDAOAAKPS-ZJUUUORDSA-N 2 2 270.295 0.610 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCN1CCOCC1(C)C ZINC000347755667 137354896 /nfs/dbraw/zinc/35/48/96/137354896.db2.gz SUTFZXFKHAJMOP-OLZOCXBDSA-N 2 2 255.406 0.637 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCN1CCOCC1(C)C ZINC000347755667 137354897 /nfs/dbraw/zinc/35/48/97/137354897.db2.gz SUTFZXFKHAJMOP-OLZOCXBDSA-N 2 2 255.406 0.637 20 0 CCADLP C[NH2+][C@H](C)C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000054076175 348541684 /nfs/dbraw/zinc/54/16/84/348541684.db2.gz RWIFAUDAECFCIZ-OLZOCXBDSA-N 2 2 271.405 0.457 20 0 CCADLP CC[C@]1(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC[NH2+]C1 ZINC000062891874 348671338 /nfs/dbraw/zinc/67/13/38/348671338.db2.gz NWNKILXHSMQWJN-OCCSQVGLSA-N 2 2 269.389 0.213 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000068803254 348822671 /nfs/dbraw/zinc/82/26/71/348822671.db2.gz ADZSXRBDKUXRHJ-CQSZACIVSA-N 2 2 279.432 0.974 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000068803254 348822673 /nfs/dbraw/zinc/82/26/73/348822673.db2.gz ADZSXRBDKUXRHJ-CQSZACIVSA-N 2 2 279.432 0.974 20 0 CCADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCS(=O)(=O)C2)C1 ZINC000069137557 348833216 /nfs/dbraw/zinc/83/32/16/348833216.db2.gz VPRKDWLZBHDMBF-NWDGAFQWSA-N 2 2 260.403 0.495 20 0 CCADLP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCS(=O)(=O)C2)C1 ZINC000069137557 348833220 /nfs/dbraw/zinc/83/32/20/348833220.db2.gz VPRKDWLZBHDMBF-NWDGAFQWSA-N 2 2 260.403 0.495 20 0 CCADLP O=C(C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)N1CCC1 ZINC000069856687 348863094 /nfs/dbraw/zinc/86/30/94/348863094.db2.gz CXFDGAZHZYPZBJ-CQSZACIVSA-N 2 2 281.400 0.263 20 0 CCADLP O=C(C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)N1CCC1 ZINC000069856687 348863100 /nfs/dbraw/zinc/86/31/00/348863100.db2.gz CXFDGAZHZYPZBJ-CQSZACIVSA-N 2 2 281.400 0.263 20 0 CCADLP CC(C)N(C)C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000070011385 348868851 /nfs/dbraw/zinc/86/88/51/348868851.db2.gz LVRJOEXTWBUKAK-OAHLLOKOSA-N 2 2 297.443 0.897 20 0 CCADLP CC(C)N(C)C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000070011385 348868854 /nfs/dbraw/zinc/86/88/54/348868854.db2.gz LVRJOEXTWBUKAK-OAHLLOKOSA-N 2 2 297.443 0.897 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C2(CO)CCCC2)n1C ZINC000070144108 348873847 /nfs/dbraw/zinc/87/38/47/348873847.db2.gz CYGJGCJHZFMHLM-UHFFFAOYSA-N 2 2 252.362 0.881 20 0 CCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C1CCCC1 ZINC000070306907 348884174 /nfs/dbraw/zinc/88/41/74/348884174.db2.gz MNRAGIMNMWDGGE-LBPRGKRZSA-N 2 2 253.390 0.929 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CCNS(=O)(=O)CC)[C@H](C)C1 ZINC000079462104 349178138 /nfs/dbraw/zinc/17/81/38/349178138.db2.gz DKKBIEZDHODGAN-OLZOCXBDSA-N 2 2 291.461 0.588 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CCNS(=O)(=O)CC)[C@H](C)C1 ZINC000079462104 349178142 /nfs/dbraw/zinc/17/81/42/349178142.db2.gz DKKBIEZDHODGAN-OLZOCXBDSA-N 2 2 291.461 0.588 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CCNS(=O)(=O)CC)[C@H](C)C1 ZINC000079462104 349178145 /nfs/dbraw/zinc/17/81/45/349178145.db2.gz DKKBIEZDHODGAN-OLZOCXBDSA-N 2 2 291.461 0.588 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CCNS(=O)(=O)CC)[C@H](C)C1 ZINC000079462104 349178148 /nfs/dbraw/zinc/17/81/48/349178148.db2.gz DKKBIEZDHODGAN-OLZOCXBDSA-N 2 2 291.461 0.588 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000081007822 349238858 /nfs/dbraw/zinc/23/88/58/349238858.db2.gz WKDFYHRNMLKAND-STQMWFEESA-N 2 2 269.389 0.356 20 0 CCADLP CN(CC[NH+](C)C)C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000080391049 349211573 /nfs/dbraw/zinc/21/15/73/349211573.db2.gz OMBGNXSCRGJERG-UHFFFAOYSA-N 2 2 273.340 0.901 20 0 CCADLP CC(C)OCC[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC000081637278 349278799 /nfs/dbraw/zinc/27/87/99/349278799.db2.gz LTFQFYYAJIXFDF-UHFFFAOYSA-N 2 2 285.432 0.361 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000089635036 349396888 /nfs/dbraw/zinc/39/68/88/349396888.db2.gz RVKAPMOPOJGIKO-SRVKXCTJSA-N 2 2 262.419 0.739 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000089635036 349396892 /nfs/dbraw/zinc/39/68/92/349396892.db2.gz RVKAPMOPOJGIKO-SRVKXCTJSA-N 2 2 262.419 0.739 20 0 CCADLP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000089106568 349375013 /nfs/dbraw/zinc/37/50/13/349375013.db2.gz PITIXJCADXNBJY-RYUDHWBXSA-N 2 2 250.346 0.907 20 0 CCADLP O=C(C1CC1)N1CCC[N@H+](CCn2cc[nH+]c2)CC1 ZINC000121459106 350040135 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0.341 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000091680748 180226371 /nfs/dbraw/zinc/22/63/71/180226371.db2.gz NVHSKRDBPIFCJE-XQQFMLRXSA-N 2 2 269.389 0.341 20 0 CCADLP CCSCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000130226982 350233231 /nfs/dbraw/zinc/23/32/31/350233231.db2.gz UEKKGFDSHZJTFG-UHFFFAOYSA-N 2 2 259.419 0.445 20 0 CCADLP O=C(C[C@H]1CC[NH2+]C1)NCCCNc1cccc[nH+]1 ZINC000130462127 350238068 /nfs/dbraw/zinc/23/80/68/350238068.db2.gz QYCMRBJCJPHUBQ-GFCCVEGCSA-N 2 2 262.357 0.999 20 0 CCADLP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@H]1CSC[NH2+]1 ZINC000131775314 350287051 /nfs/dbraw/zinc/28/70/51/350287051.db2.gz SUHGPZZEZHMMKQ-LLVKDONJSA-N 2 2 293.396 0.092 20 0 CCADLP C[C@@H](C(=O)NCc1[nH]cc[nH+]1)[NH+]1CCSCC1 ZINC000132046236 350294985 /nfs/dbraw/zinc/29/49/85/350294985.db2.gz RLRGDAUXLBWTBI-VIFPVBQESA-N 2 2 254.359 0.463 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000134489808 350366239 /nfs/dbraw/zinc/36/62/39/350366239.db2.gz KPOMQISPIVNQHG-STQMWFEESA-N 2 2 269.389 0.213 20 0 CCADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nccc(N)n3)CC[C@@H]21 ZINC000135158840 350386443 /nfs/dbraw/zinc/38/64/43/350386443.db2.gz BSHTZEUBYGKVFG-NEPJUHHUSA-N 2 2 261.373 0.975 20 0 CCADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nccc(N)n3)CC[C@@H]21 ZINC000135158840 350386446 /nfs/dbraw/zinc/38/64/46/350386446.db2.gz BSHTZEUBYGKVFG-NEPJUHHUSA-N 2 2 261.373 0.975 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nccc(N)n3)CC[C@@H]21 ZINC000135158840 350386448 /nfs/dbraw/zinc/38/64/48/350386448.db2.gz BSHTZEUBYGKVFG-NEPJUHHUSA-N 2 2 261.373 0.975 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nccc(N)n3)CC[C@@H]21 ZINC000135158840 350386450 /nfs/dbraw/zinc/38/64/50/350386450.db2.gz BSHTZEUBYGKVFG-NEPJUHHUSA-N 2 2 261.373 0.975 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000335642301 212358265 /nfs/dbraw/zinc/35/82/65/212358265.db2.gz YLRSLPGWXVFOAF-GHMZBOCLSA-N 2 2 265.361 0.795 20 0 CCADLP COc1ccccc1CNC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107576805 186179526 /nfs/dbraw/zinc/17/95/26/186179526.db2.gz VXGAMEJEGNGMMT-OKILXGFUSA-N 2 2 289.379 0.463 20 0 CCADLP COc1ccccc1CNC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107576805 186179529 /nfs/dbraw/zinc/17/95/29/186179529.db2.gz VXGAMEJEGNGMMT-OKILXGFUSA-N 2 2 289.379 0.463 20 0 CCADLP CC1CCC(NC(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000107579216 186181103 /nfs/dbraw/zinc/18/11/03/186181103.db2.gz DAFHCBAMNMWNNR-AKJUYKBHSA-N 2 2 265.401 0.833 20 0 CCADLP CC1CCC(NC(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000107579216 186181104 /nfs/dbraw/zinc/18/11/04/186181104.db2.gz DAFHCBAMNMWNNR-AKJUYKBHSA-N 2 2 265.401 0.833 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCS(=O)(=O)C2)CC[N@@H+]1C ZINC000157577497 350646221 /nfs/dbraw/zinc/64/62/21/350646221.db2.gz QMBRHMGORMYGNL-IJLUTSLNSA-N 2 2 260.403 0.636 20 0 CCADLP CCOc1ccc(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000162261306 350739389 /nfs/dbraw/zinc/73/93/89/350739389.db2.gz RUKMKVRWADWQNC-CQSZACIVSA-N 2 2 291.395 0.729 20 0 CCADLP CCOc1ccc(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000162261306 350739393 /nfs/dbraw/zinc/73/93/93/350739393.db2.gz RUKMKVRWADWQNC-CQSZACIVSA-N 2 2 291.395 0.729 20 0 CCADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CCS(=O)(=O)C1 ZINC000162276207 350740230 /nfs/dbraw/zinc/74/02/30/350740230.db2.gz RBUDHBXKXFPSMI-LLVKDONJSA-N 2 2 257.359 0.392 20 0 CCADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCS(=O)(=O)C1 ZINC000162276207 350740234 /nfs/dbraw/zinc/74/02/34/350740234.db2.gz RBUDHBXKXFPSMI-LLVKDONJSA-N 2 2 257.359 0.392 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)NCCCNc1cccc[nH+]1 ZINC000165240661 350788790 /nfs/dbraw/zinc/78/87/90/350788790.db2.gz DYNBSQQVTJWLFD-LLVKDONJSA-N 2 2 250.346 0.855 20 0 CCADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000165458251 350789616 /nfs/dbraw/zinc/78/96/16/350789616.db2.gz NAKMARFANIWRSC-VIFPVBQESA-N 2 2 266.345 0.283 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CSC[NH2+]1)Cn1cc[nH+]c1 ZINC000165590101 350791830 /nfs/dbraw/zinc/79/18/30/350791830.db2.gz IRFPDTQMWLOIEE-NXEZZACHSA-N 2 2 254.359 0.298 20 0 CCADLP CO[C@@H]1CC[N@H+](CCC(=O)Nc2cc(C)on2)[C@@H](C[NH3+])C1 ZINC000167348478 350809061 /nfs/dbraw/zinc/80/90/61/350809061.db2.gz IEUKJRHGUNSALR-VXGBXAGGSA-N 2 2 296.371 0.750 20 0 CCADLP CO[C@@H]1CC[N@@H+](CCC(=O)Nc2cc(C)on2)[C@@H](C[NH3+])C1 ZINC000167348478 350809065 /nfs/dbraw/zinc/80/90/65/350809065.db2.gz IEUKJRHGUNSALR-VXGBXAGGSA-N 2 2 296.371 0.750 20 0 CCADLP O=C([C@@H]1CSC[NH2+]1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000167400713 350809620 /nfs/dbraw/zinc/80/96/20/350809620.db2.gz UPDGPYHHHCOSFU-OLZOCXBDSA-N 2 2 299.440 0.220 20 0 CCADLP C[NH+](C)CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000170249814 350843715 /nfs/dbraw/zinc/84/37/15/350843715.db2.gz PTOOIZLGXOONAX-LLVKDONJSA-N 2 2 250.346 0.513 20 0 CCADLP Cc1cccn2cc(CNC(=O)[C@H]3CSC[NH2+]3)[nH+]c12 ZINC000168496516 350827657 /nfs/dbraw/zinc/82/76/57/350827657.db2.gz VJJDRKJNCSUBLA-LLVKDONJSA-N 2 2 276.365 0.921 20 0 CCADLP CC(C)C[C@H](CNC(=O)C[NH+](C)C)[NH+]1CCOCC1 ZINC000171360724 350903957 /nfs/dbraw/zinc/90/39/57/350903957.db2.gz FHSOOXFUTLMZMC-CYBMUJFWSA-N 2 2 271.405 0.411 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000173865958 351059009 /nfs/dbraw/zinc/05/90/09/351059009.db2.gz UQRWYAFEMDCHNX-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000173865958 351059012 /nfs/dbraw/zinc/05/90/12/351059012.db2.gz UQRWYAFEMDCHNX-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NC2CCOCC2)C1 ZINC000173908560 351060954 /nfs/dbraw/zinc/06/09/54/351060954.db2.gz HDCNJEVZCYIYOK-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NC2CCOCC2)C1 ZINC000173908560 351060959 /nfs/dbraw/zinc/06/09/59/351060959.db2.gz HDCNJEVZCYIYOK-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC2CCOCC2)C1 ZINC000173908560 351060963 /nfs/dbraw/zinc/06/09/63/351060963.db2.gz HDCNJEVZCYIYOK-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC2CCOCC2)C1 ZINC000173908560 351060967 /nfs/dbraw/zinc/06/09/67/351060967.db2.gz HDCNJEVZCYIYOK-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP CC[NH+](CC)CCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000339777299 215335640 /nfs/dbraw/zinc/33/56/40/215335640.db2.gz SPEJXNKAIRMBSN-LBPRGKRZSA-N 2 2 257.378 0.165 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)CC1 ZINC000336516474 213396139 /nfs/dbraw/zinc/39/61/39/213396139.db2.gz CDHLFFZSUKRIOU-YPMHNXCESA-N 2 2 287.354 0.738 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)CC1 ZINC000336516474 213396142 /nfs/dbraw/zinc/39/61/42/213396142.db2.gz CDHLFFZSUKRIOU-YPMHNXCESA-N 2 2 287.354 0.738 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2CCCOC2)CC1 ZINC000175741814 351141248 /nfs/dbraw/zinc/14/12/48/351141248.db2.gz FVQAHMHARXUKEF-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)CC[N@@H+]1C ZINC000178520425 351233794 /nfs/dbraw/zinc/23/37/94/351233794.db2.gz ZBQXNLBQOFVINW-UONOGXRCSA-N 3 2 269.433 0.906 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000178744130 351243794 /nfs/dbraw/zinc/24/37/94/351243794.db2.gz LEWLAFQKBSCKGO-RYUDHWBXSA-N 2 2 269.389 0.341 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000178744130 351243797 /nfs/dbraw/zinc/24/37/97/351243797.db2.gz LEWLAFQKBSCKGO-RYUDHWBXSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H](Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)C(N)=O ZINC000178853438 351249165 /nfs/dbraw/zinc/24/91/65/351249165.db2.gz FWEYRTXEPOXMOK-MRVPVSSYSA-N 2 2 283.295 0.496 20 0 CCADLP CCC[C@H]([NH3+])C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000178860494 351249808 /nfs/dbraw/zinc/24/98/08/351249808.db2.gz HSAIYRLWSLHIAI-FRRDWIJNSA-N 2 2 269.389 0.293 20 0 CCADLP O=C1C[C@H]([NH2+]C2CCCC2)CN1CC[NH+]1CCOCC1 ZINC000178903126 351252158 /nfs/dbraw/zinc/25/21/58/351252158.db2.gz AZOOVVFMAKUOAA-AWEZNQCLSA-N 2 2 281.400 0.452 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCCCn1cc[nH+]c1C ZINC000179426764 351267192 /nfs/dbraw/zinc/26/71/92/351267192.db2.gz HSNNEQDZYQCRSE-OLZOCXBDSA-N 2 2 281.356 0.580 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCCCn1cc[nH+]c1C ZINC000179426764 351267196 /nfs/dbraw/zinc/26/71/96/351267196.db2.gz HSNNEQDZYQCRSE-OLZOCXBDSA-N 2 2 281.356 0.580 20 0 CCADLP COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1CCCn1cc[nH+]c1 ZINC000182779275 351369107 /nfs/dbraw/zinc/36/91/07/351369107.db2.gz BFNCLACCSODTOX-RYUDHWBXSA-N 2 2 267.329 0.536 20 0 CCADLP COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000182779275 351369109 /nfs/dbraw/zinc/36/91/09/351369109.db2.gz BFNCLACCSODTOX-RYUDHWBXSA-N 2 2 267.329 0.536 20 0 CCADLP CO[C@H](C)C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000182127020 351349171 /nfs/dbraw/zinc/34/91/71/351349171.db2.gz VOTNENVBSJTCIV-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NCCCCNc2cccc[nH+]2)C1 ZINC000187945094 351565457 /nfs/dbraw/zinc/56/54/57/351565457.db2.gz VRGVFWJICPYDFP-QWHCGFSZSA-N 2 2 292.383 0.767 20 0 CCADLP C[C@H](CNC(=O)c1c[nH+]ccc1N)C[NH+]1CCOCC1 ZINC000188142200 351575275 /nfs/dbraw/zinc/57/52/75/351575275.db2.gz ORPCEJIOPVIOLU-LLVKDONJSA-N 2 2 278.356 0.362 20 0 CCADLP CN(C)CC[N@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC000291578052 198041290 /nfs/dbraw/zinc/04/12/90/198041290.db2.gz YQFHWJVZAMBOET-UHFFFAOYSA-N 2 2 281.404 0.225 20 0 CCADLP CN(C)CC[N@@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC000291578052 198041292 /nfs/dbraw/zinc/04/12/92/198041292.db2.gz YQFHWJVZAMBOET-UHFFFAOYSA-N 2 2 281.404 0.225 20 0 CCADLP CN(CCCN(C)C(=O)Cn1cc[nH+]c1)CC[NH+](C)C ZINC000291578052 198041293 /nfs/dbraw/zinc/04/12/93/198041293.db2.gz YQFHWJVZAMBOET-UHFFFAOYSA-N 2 2 281.404 0.225 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@H]1C[C@H](F)C[NH2+]1)[NH+]1CCOCC1 ZINC000188707696 351619861 /nfs/dbraw/zinc/61/98/61/351619861.db2.gz MYRKCKNRNJKQOB-XQQFMLRXSA-N 2 2 287.379 0.159 20 0 CCADLP COCCN1CCC[N@H+](CC[C@H]2CCC[NH+]2C)CC1=O ZINC000190807875 351735193 /nfs/dbraw/zinc/73/51/93/351735193.db2.gz RMLUMUOFRITMOE-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP COCCN1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)CC1=O ZINC000190807875 351735197 /nfs/dbraw/zinc/73/51/97/351735197.db2.gz RMLUMUOFRITMOE-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP COCCN1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1=O ZINC000190807875 351735198 /nfs/dbraw/zinc/73/51/98/351735198.db2.gz RMLUMUOFRITMOE-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP COCCN1CCC[NH+](CC[C@H]2CCC[N@H+]2C)CC1=O ZINC000190807875 351735202 /nfs/dbraw/zinc/73/52/02/351735202.db2.gz RMLUMUOFRITMOE-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP C[C@@H](C(=O)NCC[N@@H+]1CCOC(C)(C)C1)[C@H](C)[NH3+] ZINC000192104957 351783775 /nfs/dbraw/zinc/78/37/75/351783775.db2.gz ZEEKJLMGXFHKFR-MNOVXSKESA-N 2 2 257.378 0.197 20 0 CCADLP C[C@@H](C(=O)NCC[N@H+]1CCOC(C)(C)C1)[C@H](C)[NH3+] ZINC000192104957 351783777 /nfs/dbraw/zinc/78/37/77/351783777.db2.gz ZEEKJLMGXFHKFR-MNOVXSKESA-N 2 2 257.378 0.197 20 0 CCADLP COc1cc[nH+]c(CN2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c1 ZINC000192823749 351800378 /nfs/dbraw/zinc/80/03/78/351800378.db2.gz FDRFKGGZAKTMSH-QWHCGFSZSA-N 2 2 279.384 0.977 20 0 CCADLP COc1cc[nH+]c(CN2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c1 ZINC000192823749 351800380 /nfs/dbraw/zinc/80/03/80/351800380.db2.gz FDRFKGGZAKTMSH-QWHCGFSZSA-N 2 2 279.384 0.977 20 0 CCADLP CSCC[NH+](C)CC(O)C[N@@H+](C)CCSC ZINC000194666511 351880000 /nfs/dbraw/zinc/88/00/00/351880000.db2.gz FPGWKMNCAYMEOS-UHFFFAOYSA-N 2 2 266.476 0.937 20 0 CCADLP CSCC[NH+](C)CC(O)C[N@H+](C)CCSC ZINC000194666511 351880002 /nfs/dbraw/zinc/88/00/02/351880002.db2.gz FPGWKMNCAYMEOS-UHFFFAOYSA-N 2 2 266.476 0.937 20 0 CCADLP Cc1nn(C)cc1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000123618612 187101052 /nfs/dbraw/zinc/10/10/52/187101052.db2.gz HJLOBDPVNMNPRP-ZDUSSCGKSA-N 2 2 252.362 0.275 20 0 CCADLP COC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000211951432 351929994 /nfs/dbraw/zinc/92/99/94/351929994.db2.gz KPAXLUAJNZJEJM-AWEZNQCLSA-N 2 2 295.358 0.444 20 0 CCADLP [NH3+]CC1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000655412605 412561444 /nfs/dbraw/zinc/56/14/44/412561444.db2.gz WPNZWOOLEIASBP-LBPRGKRZSA-N 2 2 262.357 0.643 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1)C(C)C ZINC000226336913 352023889 /nfs/dbraw/zinc/02/38/89/352023889.db2.gz RAQLNMOMGHNETH-UXIGCNINSA-N 2 2 283.416 0.775 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1)C(C)C ZINC000226336913 352023893 /nfs/dbraw/zinc/02/38/93/352023893.db2.gz RAQLNMOMGHNETH-UXIGCNINSA-N 2 2 283.416 0.775 20 0 CCADLP C[N@H+](CC(=O)NC1CCOCC1)[C@H]1CCC[NH2+]CC1 ZINC000231669016 352131423 /nfs/dbraw/zinc/13/14/23/352131423.db2.gz VXMRJTVQCQVEOC-ZDUSSCGKSA-N 2 2 269.389 0.356 20 0 CCADLP C[N@@H+](CC(=O)NC1CCOCC1)[C@H]1CCC[NH2+]CC1 ZINC000231669016 352131426 /nfs/dbraw/zinc/13/14/26/352131426.db2.gz VXMRJTVQCQVEOC-ZDUSSCGKSA-N 2 2 269.389 0.356 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC000234707662 352166091 /nfs/dbraw/zinc/16/60/91/352166091.db2.gz DLDCMOBPQZARBE-JSGCOSHPSA-N 2 2 274.405 0.425 20 0 CCADLP COC[C@H](CO)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000234801710 352171222 /nfs/dbraw/zinc/17/12/22/352171222.db2.gz RUCYAYIAGZZUTN-ZDUSSCGKSA-N 2 2 261.325 0.969 20 0 CCADLP CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC[NH2+]CC1 ZINC000655413302 412562532 /nfs/dbraw/zinc/56/25/32/412562532.db2.gz SZZQKRHGSPNIHK-LLVKDONJSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@H]1CN(c2ccc(CNC(=O)CC[NH3+])c[nH+]2)C[C@H](C)O1 ZINC000237695479 352279752 /nfs/dbraw/zinc/27/97/52/352279752.db2.gz GTJGWSLTYRGVHR-RYUDHWBXSA-N 2 2 292.383 0.660 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000418286091 234052789 /nfs/dbraw/zinc/05/27/89/234052789.db2.gz XRJMZJOMOBUDID-WCQYABFASA-N 2 2 279.388 0.779 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246572912 352373723 /nfs/dbraw/zinc/37/37/23/352373723.db2.gz DYMNNXVIBPRULZ-RYUDHWBXSA-N 2 2 284.404 0.637 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246572912 352373726 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CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000247109229 352398729 /nfs/dbraw/zinc/39/87/29/352398729.db2.gz DTDKQDBIRWALET-UONOGXRCSA-N 2 2 283.416 0.555 20 0 CCADLP O=C(C[NH+]1CCN(CC[NH+]2CCCCC2)CC1)NC1CC1 ZINC000247758519 352425060 /nfs/dbraw/zinc/42/50/60/352425060.db2.gz FZVZTYLQQKILHT-UHFFFAOYSA-N 2 2 294.443 0.369 20 0 CCADLP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655417218 412564883 /nfs/dbraw/zinc/56/48/83/412564883.db2.gz GMRCJOPHUDKHIY-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)C[C@H]1C ZINC000248398993 352438990 /nfs/dbraw/zinc/43/89/90/352438990.db2.gz JHZXOWDTGUZKKJ-UKRRQHHQSA-N 2 2 283.416 0.698 20 0 CCADLP COCC[N@H+]1CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)C[C@H]1C ZINC000248398993 352438993 /nfs/dbraw/zinc/43/89/93/352438993.db2.gz JHZXOWDTGUZKKJ-UKRRQHHQSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000249319623 352486492 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NC(=O)NC(=O)CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265484286 352641695 /nfs/dbraw/zinc/64/16/95/352641695.db2.gz LSZULYMQMWNEPA-UHFFFAOYSA-N 2 2 265.317 0.174 20 0 CCADLP CC[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[N@@H+]1C[C@H](C)O ZINC000266290829 352695820 /nfs/dbraw/zinc/69/58/20/352695820.db2.gz BVQTXIGTVIIJDM-KBPBESRZSA-N 2 2 294.399 0.577 20 0 CCADLP CC[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[N@H+]1C[C@H](C)O ZINC000266290829 352695823 /nfs/dbraw/zinc/69/58/23/352695823.db2.gz BVQTXIGTVIIJDM-KBPBESRZSA-N 2 2 294.399 0.577 20 0 CCADLP CC(C)NC(=O)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604388684 363194018 /nfs/dbraw/zinc/19/40/18/363194018.db2.gz HWTFNCDSXQQIOF-CQSZACIVSA-N 2 2 282.432 0.223 20 0 CCADLP CC(C)NC(=O)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604388684 363194021 /nfs/dbraw/zinc/19/40/21/363194021.db2.gz HWTFNCDSXQQIOF-CQSZACIVSA-N 2 2 282.432 0.223 20 0 CCADLP NS(=O)(=O)CCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267455533 352768090 /nfs/dbraw/zinc/76/80/90/352768090.db2.gz SVOCMYCUUJOHAY-JTQLQIEISA-N 2 2 272.374 0.268 20 0 CCADLP NS(=O)(=O)CCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267455533 352768093 /nfs/dbraw/zinc/76/80/93/352768093.db2.gz SVOCMYCUUJOHAY-JTQLQIEISA-N 2 2 272.374 0.268 20 0 CCADLP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000418732570 234217848 /nfs/dbraw/zinc/21/78/48/234217848.db2.gz UWHUSJZUYWSDNL-STQMWFEESA-N 2 2 291.399 0.645 20 0 CCADLP Cc1nc2n(n1)CC[N@H+](CCCn1cc[nH+]c1C)C2 ZINC000270607871 352956345 /nfs/dbraw/zinc/95/63/45/352956345.db2.gz HTWLZIUOTBPODB-UHFFFAOYSA-N 2 2 260.345 0.997 20 0 CCADLP Cc1nc2n(n1)CC[N@@H+](CCCn1cc[nH+]c1C)C2 ZINC000270607871 352956347 /nfs/dbraw/zinc/95/63/47/352956347.db2.gz HTWLZIUOTBPODB-UHFFFAOYSA-N 2 2 260.345 0.997 20 0 CCADLP Cc1[nH]c(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c[nH+]1 ZINC000270692125 352968511 /nfs/dbraw/zinc/96/85/11/352968511.db2.gz RMKVTJXPBDFKNR-GFCCVEGCSA-N 2 2 280.372 0.685 20 0 CCADLP Cc1[nH]c(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c[nH+]1 ZINC000270692125 352968515 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Cn1cc[nH+]c1CNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000272298433 353050826 /nfs/dbraw/zinc/05/08/26/353050826.db2.gz COABETFGAPVLMH-VXGBXAGGSA-N 2 2 277.372 0.656 20 0 CCADLP C[NH2+][C@@H](C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000655444373 412571471 /nfs/dbraw/zinc/57/14/71/412571471.db2.gz DUCHOWURGHXCFE-DZGCQCFKSA-N 2 2 291.395 0.784 20 0 CCADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1cc[nH+]c(N(C)C)n1 ZINC000419008931 234285487 /nfs/dbraw/zinc/28/54/87/234285487.db2.gz UXMGVKGFNCHYMA-VXGBXAGGSA-N 2 2 279.388 0.434 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1c1cc[nH+]c(N(C)C)n1 ZINC000419008931 234285490 /nfs/dbraw/zinc/28/54/90/234285490.db2.gz UXMGVKGFNCHYMA-VXGBXAGGSA-N 2 2 279.388 0.434 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000152924220 188053082 /nfs/dbraw/zinc/05/30/82/188053082.db2.gz YXQDZJWEDJWUAH-OLZOCXBDSA-N 2 2 290.367 0.107 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000152924220 188053084 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CC1(C)COCC[N@H+]1CCNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655447139 412574520 /nfs/dbraw/zinc/57/45/20/412574520.db2.gz SBGTWBMOQVCTPJ-CZUORRHYSA-N 2 2 295.427 0.603 20 0 CCADLP C[C@@H]1C[N@H+](CCCn2cc[nH+]c2)CC[S@@](=O)C1 ZINC000277282352 353234416 /nfs/dbraw/zinc/23/44/16/353234416.db2.gz BFRFKOUKKUZPHQ-SJKOYZFVSA-N 2 2 255.387 0.974 20 0 CCADLP C[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)CC[S@@](=O)C1 ZINC000277282352 353234420 /nfs/dbraw/zinc/23/44/20/353234420.db2.gz BFRFKOUKKUZPHQ-SJKOYZFVSA-N 2 2 255.387 0.974 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000278171049 353285603 /nfs/dbraw/zinc/28/56/03/353285603.db2.gz CMLWIDNMONTUKE-GFCCVEGCSA-N 2 2 276.340 0.623 20 0 CCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000655457317 412578480 /nfs/dbraw/zinc/57/84/80/412578480.db2.gz QBRGAEYSLMJQLZ-RWMBFGLXSA-N 2 2 274.368 0.798 20 0 CCADLP Cc1cc([C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)no1 ZINC000282545252 353433587 /nfs/dbraw/zinc/43/35/87/353433587.db2.gz RVCYRSYDQVJGSI-LBPRGKRZSA-N 2 2 280.372 0.798 20 0 CCADLP CCC[N@H+](CCCn1cc[nH+]c1)[C@@H]1CC(=O)N(C)C1=O ZINC000282601358 353438633 /nfs/dbraw/zinc/43/86/33/353438633.db2.gz XZUQMUFQEMMUSB-GFCCVEGCSA-N 2 2 278.356 0.743 20 0 CCADLP CCC[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CC(=O)N(C)C1=O ZINC000282601358 353438635 /nfs/dbraw/zinc/43/86/35/353438635.db2.gz XZUQMUFQEMMUSB-GFCCVEGCSA-N 2 2 278.356 0.743 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)Cn1cc[nH+]c1C ZINC000556719314 291001391 /nfs/dbraw/zinc/00/13/91/291001391.db2.gz DUKJPJWVJKECMR-GFCCVEGCSA-N 2 2 250.346 0.744 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)Cn1cc[nH+]c1C ZINC000556719314 291001397 /nfs/dbraw/zinc/00/13/97/291001397.db2.gz DUKJPJWVJKECMR-GFCCVEGCSA-N 2 2 250.346 0.744 20 0 CCADLP O=C1C[N@@H+](CCCn2cc[nH+]c2)CCN1CC(F)(F)F ZINC000286292131 353575653 /nfs/dbraw/zinc/57/56/53/353575653.db2.gz CZYFVPSQQPTRNF-UHFFFAOYSA-N 2 2 290.289 0.980 20 0 CCADLP O=C1C[N@H+](CCCn2cc[nH+]c2)CCN1CC(F)(F)F ZINC000286292131 353575656 /nfs/dbraw/zinc/57/56/56/353575656.db2.gz CZYFVPSQQPTRNF-UHFFFAOYSA-N 2 2 290.289 0.980 20 0 CCADLP [NH3+]CC[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C(F)(F)F ZINC000655464716 412582561 /nfs/dbraw/zinc/58/25/61/412582561.db2.gz GABGFFVYNCSLDY-IUCAKERBSA-N 2 2 290.289 0.841 20 0 CCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000655463009 412582633 /nfs/dbraw/zinc/58/26/33/412582633.db2.gz BITWJUIBXQCQLT-YNEHKIRRSA-N 2 2 274.368 0.656 20 0 CCADLP Cn1cc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)c(C(F)F)n1 ZINC000291164327 353771620 /nfs/dbraw/zinc/77/16/20/353771620.db2.gz IXVQENKTRJGXDQ-GFCCVEGCSA-N 2 2 276.331 0.760 20 0 CCADLP C[C@]1(F)C[NH2+]CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000655464785 412582877 /nfs/dbraw/zinc/58/28/77/412582877.db2.gz KXTHPJGYHBYEKO-RISCZKNCSA-N 2 2 280.347 0.606 20 0 CCADLP COC[C@@H]1CC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000293585889 353822618 /nfs/dbraw/zinc/82/26/18/353822618.db2.gz ICLZJWWWRMTDDK-AWEZNQCLSA-N 2 2 291.399 0.449 20 0 CCADLP COC[C@@H]1CC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000293585889 353822621 /nfs/dbraw/zinc/82/26/21/353822621.db2.gz ICLZJWWWRMTDDK-AWEZNQCLSA-N 2 2 291.399 0.449 20 0 CCADLP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000296520719 353950126 /nfs/dbraw/zinc/95/01/26/353950126.db2.gz SADIVFQCXOJJAG-UKRRQHHQSA-N 2 2 291.395 0.832 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000299371285 354012662 /nfs/dbraw/zinc/01/26/62/354012662.db2.gz MNDZQCREZBPPAL-VXGBXAGGSA-N 2 2 267.377 0.911 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000299521009 354024426 /nfs/dbraw/zinc/02/44/26/354024426.db2.gz OPQBKXXQIAOGCO-ZDUSSCGKSA-N 2 2 285.351 0.978 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000299521009 354024431 /nfs/dbraw/zinc/02/44/31/354024431.db2.gz OPQBKXXQIAOGCO-ZDUSSCGKSA-N 2 2 285.351 0.978 20 0 CCADLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COCc1ccco1 ZINC000300689098 354067294 /nfs/dbraw/zinc/06/72/94/354067294.db2.gz DOGNYFBWWVHQHI-STQMWFEESA-N 2 2 268.357 0.841 20 0 CCADLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COCc1ccco1 ZINC000300689098 354067297 /nfs/dbraw/zinc/06/72/97/354067297.db2.gz DOGNYFBWWVHQHI-STQMWFEESA-N 2 2 268.357 0.841 20 0 CCADLP O=C(NC[C@@H]1C[NH2+]CCO1)Nc1ccc2[nH+]ccn2c1 ZINC000556958136 291017797 /nfs/dbraw/zinc/01/77/97/291017797.db2.gz FMYCVDFUEHAOCJ-NSHDSACASA-N 2 2 275.312 0.444 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@@H](O)CC(F)(F)F ZINC000307947441 354181497 /nfs/dbraw/zinc/18/14/97/354181497.db2.gz NFOIWMPYUSLODF-UWVGGRQHSA-N 2 2 269.311 0.135 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H](O)CC(F)(F)F ZINC000307947441 354181500 /nfs/dbraw/zinc/18/15/00/354181500.db2.gz NFOIWMPYUSLODF-UWVGGRQHSA-N 2 2 269.311 0.135 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(C(F)F)CC1 ZINC000312013428 354205966 /nfs/dbraw/zinc/20/59/66/354205966.db2.gz XAYJRWSINXJGGP-LBPRGKRZSA-N 2 2 280.359 0.903 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(F)F)CC1 ZINC000312013428 354205968 /nfs/dbraw/zinc/20/59/68/354205968.db2.gz XAYJRWSINXJGGP-LBPRGKRZSA-N 2 2 280.359 0.903 20 0 CCADLP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313352162 354213989 /nfs/dbraw/zinc/21/39/89/354213989.db2.gz NREKVZNBJFUWDS-ZIAGYGMSSA-N 2 2 283.416 0.827 20 0 CCADLP CC[C@@H]1CCCCN1C(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313352162 354213994 /nfs/dbraw/zinc/21/39/94/354213994.db2.gz NREKVZNBJFUWDS-ZIAGYGMSSA-N 2 2 283.416 0.827 20 0 CCADLP C[C@H]1CO[C@H](CO)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000314467975 354222551 /nfs/dbraw/zinc/22/25/51/354222551.db2.gz ZFNKQUQNHYYKIZ-AAEUAGOBSA-N 2 2 253.346 0.434 20 0 CCADLP C[C@H]1CO[C@H](CO)C[N@H+]1CCCc1c[nH+]cn1C ZINC000314467975 354222556 /nfs/dbraw/zinc/22/25/56/354222556.db2.gz ZFNKQUQNHYYKIZ-AAEUAGOBSA-N 2 2 253.346 0.434 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCC(F)(F)F)[C@H](C[NH3+])C1 ZINC000557168604 291024838 /nfs/dbraw/zinc/02/48/38/291024838.db2.gz DYYPENWQPQIITP-MRVPVSSYSA-N 2 2 268.283 0.223 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCC(F)(F)F)[C@H](C[NH3+])C1 ZINC000557168604 291024842 /nfs/dbraw/zinc/02/48/42/291024842.db2.gz DYYPENWQPQIITP-MRVPVSSYSA-N 2 2 268.283 0.223 20 0 CCADLP C[C@H](CNC(=O)c1c[nH+]ccc1N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488411 412589444 /nfs/dbraw/zinc/58/94/44/412589444.db2.gz YWISZXNYQZJEBZ-UTUOFQBUSA-N 2 2 292.383 0.722 20 0 CCADLP C[C@H](CNC(=O)c1c[nH+]ccc1N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488411 412589449 /nfs/dbraw/zinc/58/94/49/412589449.db2.gz YWISZXNYQZJEBZ-UTUOFQBUSA-N 2 2 292.383 0.722 20 0 CCADLP O=C(N[C@@H]1CCC[NH2+]C1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000557227079 291027789 /nfs/dbraw/zinc/02/77/89/291027789.db2.gz DOWPKJBJSLUBMU-TZMCWYRMSA-N 2 2 290.367 0.996 20 0 CCADLP CS[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH+](C)C ZINC000557244774 291028205 /nfs/dbraw/zinc/02/82/05/291028205.db2.gz ZHCVQNBSTVHFJO-GHMZBOCLSA-N 2 2 268.386 0.387 20 0 CCADLP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@@H](O)C[NH+](C)C ZINC000331067920 354436390 /nfs/dbraw/zinc/43/63/90/354436390.db2.gz AJEFZSBPSQLLHL-PWSUYJOCSA-N 2 2 252.362 0.310 20 0 CCADLP CCOC(=O)C1(O)CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000330548238 354406022 /nfs/dbraw/zinc/40/60/22/354406022.db2.gz AZGDJBUQSDCNAO-ZDUSSCGKSA-N 2 2 284.400 0.861 20 0 CCADLP CCOC(=O)C1(O)CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000330548238 354406026 /nfs/dbraw/zinc/40/60/26/354406026.db2.gz AZGDJBUQSDCNAO-ZDUSSCGKSA-N 2 2 284.400 0.861 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCn1cc[nH+]c1 ZINC000332357709 354653490 /nfs/dbraw/zinc/65/34/90/354653490.db2.gz WGDPWEFQEATARH-VXGBXAGGSA-N 2 2 250.346 0.872 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000331705019 354617521 /nfs/dbraw/zinc/61/75/21/354617521.db2.gz WWFACZVYPAOOGK-CYBMUJFWSA-N 2 2 289.445 0.343 20 0 CCADLP CCS(=O)(=O)NCC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000331705019 354617524 /nfs/dbraw/zinc/61/75/24/354617524.db2.gz WWFACZVYPAOOGK-CYBMUJFWSA-N 2 2 289.445 0.343 20 0 CCADLP CCS(=O)(=O)NCC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000331705019 354617526 /nfs/dbraw/zinc/61/75/26/354617526.db2.gz WWFACZVYPAOOGK-CYBMUJFWSA-N 2 2 289.445 0.343 20 0 CCADLP CCS(=O)(=O)NCC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000331705019 354617530 /nfs/dbraw/zinc/61/75/30/354617530.db2.gz WWFACZVYPAOOGK-CYBMUJFWSA-N 2 2 289.445 0.343 20 0 CCADLP CC(C)[C@@H](C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C)[NH+](C)C ZINC000557580021 291036924 /nfs/dbraw/zinc/03/69/24/291036924.db2.gz TVICTGBMRKQVBQ-ILXRZTDVSA-N 2 2 297.443 0.894 20 0 CCADLP c1cnc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cn1 ZINC000557590321 291037340 /nfs/dbraw/zinc/03/73/40/291037340.db2.gz JFKNDCDYPUGWQL-UHFFFAOYSA-N 2 2 275.400 0.690 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)NCC2([NH3+])CCCCC2)C1 ZINC000333618415 354763828 /nfs/dbraw/zinc/76/38/28/354763828.db2.gz RHSWZFCKUWVXFS-LBPRGKRZSA-N 2 2 284.404 0.278 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)NCC2([NH3+])CCCCC2)C1 ZINC000333618415 354763832 /nfs/dbraw/zinc/76/38/32/354763832.db2.gz RHSWZFCKUWVXFS-LBPRGKRZSA-N 2 2 284.404 0.278 20 0 CCADLP COC(=O)CCNC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248141922 291040289 /nfs/dbraw/zinc/04/02/89/291040289.db2.gz PSGLVHMCIGOFSF-QWHCGFSZSA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)CCNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248141922 291040293 /nfs/dbraw/zinc/04/02/93/291040293.db2.gz PSGLVHMCIGOFSF-QWHCGFSZSA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)CCNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248141922 291040295 /nfs/dbraw/zinc/04/02/95/291040295.db2.gz PSGLVHMCIGOFSF-QWHCGFSZSA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)CCNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248141922 291040298 /nfs/dbraw/zinc/04/02/98/291040298.db2.gz PSGLVHMCIGOFSF-QWHCGFSZSA-N 2 2 297.399 0.082 20 0 CCADLP O=C(N[C@@H]1CCC[NH2+]C1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000333754607 354788718 /nfs/dbraw/zinc/78/87/18/354788718.db2.gz ZORMHLQBYITMDX-CHWSQXEVSA-N 2 2 277.372 0.809 20 0 CCADLP COC[C@@H](CC(C)(C)C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000655496034 412596245 /nfs/dbraw/zinc/59/62/45/412596245.db2.gz AKNWRULUAIKDAZ-NEPJUHHUSA-N 2 2 273.421 0.833 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000334589153 354902872 /nfs/dbraw/zinc/90/28/72/354902872.db2.gz DRVXIRRXXQAWBL-SNVBAGLBSA-N 2 2 261.316 0.395 20 0 CCADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)C12CCC[NH+]1CCC2 ZINC000335034810 354942271 /nfs/dbraw/zinc/94/22/71/354942271.db2.gz YBENCWPSTYIKJM-LLVKDONJSA-N 2 2 287.354 0.976 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000423596985 235015395 /nfs/dbraw/zinc/01/53/95/235015395.db2.gz SYIXUPRUHKKQDT-DGCLKSJQSA-N 2 2 285.351 0.995 20 0 CCADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)CCn1cc[nH+]c1 ZINC000335892016 355038703 /nfs/dbraw/zinc/03/87/03/355038703.db2.gz CCNFLKNDWYMDBV-NWDGAFQWSA-N 2 2 250.346 0.824 20 0 CCADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CCn1cc[nH+]c1 ZINC000335892016 355038705 /nfs/dbraw/zinc/03/87/05/355038705.db2.gz CCNFLKNDWYMDBV-NWDGAFQWSA-N 2 2 250.346 0.824 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000335974663 355064073 /nfs/dbraw/zinc/06/40/73/355064073.db2.gz SNBDVSJUJYYBPD-WDEREUQCSA-N 2 2 250.346 0.893 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000335974663 355064077 /nfs/dbraw/zinc/06/40/77/355064077.db2.gz SNBDVSJUJYYBPD-WDEREUQCSA-N 2 2 250.346 0.893 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@](C)(O)C2CC2)n1C ZINC000336794273 355167368 /nfs/dbraw/zinc/16/73/68/355167368.db2.gz ASZZQXMVQQKFKS-ZDUSSCGKSA-N 2 2 252.362 0.737 20 0 CCADLP O=C1[C@H]([N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CCN1C1CC1 ZINC000336837853 355209339 /nfs/dbraw/zinc/20/93/39/355209339.db2.gz FXALDZIROPYPCG-UKRRQHHQSA-N 2 2 293.411 0.404 20 0 CCADLP O=C1[C@H]([N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CCN1C1CC1 ZINC000336837853 355209342 /nfs/dbraw/zinc/20/93/42/355209342.db2.gz FXALDZIROPYPCG-UKRRQHHQSA-N 2 2 293.411 0.404 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000336817474 355191251 /nfs/dbraw/zinc/19/12/51/355191251.db2.gz QMKYKFJVIYRMFF-KFWWJZLASA-N 3 2 269.433 0.763 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000336817474 355191253 /nfs/dbraw/zinc/19/12/53/355191253.db2.gz QMKYKFJVIYRMFF-KFWWJZLASA-N 3 2 269.433 0.763 20 0 CCADLP C[C@H](NC(=O)C[N@H+](C)C[C@H](O)C[NH3+])c1ccc(F)cc1 ZINC000336829653 355203811 /nfs/dbraw/zinc/20/38/11/355203811.db2.gz DHDVICNLSDBSHF-GXFFZTMASA-N 2 2 283.347 0.254 20 0 CCADLP C[C@H](NC(=O)C[N@@H+](C)C[C@H](O)C[NH3+])c1ccc(F)cc1 ZINC000336829653 355203816 /nfs/dbraw/zinc/20/38/16/355203816.db2.gz DHDVICNLSDBSHF-GXFFZTMASA-N 2 2 283.347 0.254 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(n2ccnc2)CC1)C1CC1 ZINC000336831070 355204964 /nfs/dbraw/zinc/20/49/64/355204964.db2.gz CNBZWGMTKMBLAM-OAHLLOKOSA-N 2 2 278.400 0.975 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(n2ccnc2)CC1)C1CC1 ZINC000336831070 355204970 /nfs/dbraw/zinc/20/49/70/355204970.db2.gz CNBZWGMTKMBLAM-OAHLLOKOSA-N 2 2 278.400 0.975 20 0 CCADLP C[C@@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000424450546 235207507 /nfs/dbraw/zinc/20/75/07/235207507.db2.gz ATLBJQQOHFQVKG-XJFOESAGSA-N 2 2 298.431 0.665 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC000339166929 355497858 /nfs/dbraw/zinc/49/78/58/355497858.db2.gz GHTJXIYLONQAPP-GFCCVEGCSA-N 2 2 280.372 0.190 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC000339166929 355497861 /nfs/dbraw/zinc/49/78/61/355497861.db2.gz GHTJXIYLONQAPP-GFCCVEGCSA-N 2 2 280.372 0.190 20 0 CCADLP CC[C@@H](C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)[NH+](C)C ZINC000338969937 355464045 /nfs/dbraw/zinc/46/40/45/355464045.db2.gz IMKBGXIVOGONDB-LBPRGKRZSA-N 2 2 279.388 0.394 20 0 CCADLP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@H](O)C(F)(F)F)C2)C1 ZINC000335570422 283107207 /nfs/dbraw/zinc/10/72/07/283107207.db2.gz OXNVBWHWXIRUBX-NXEZZACHSA-N 2 2 252.280 0.937 20 0 CCADLP C[N@H+]1CC[C@@]2(CC[NH+](C[C@@H](O)C(F)(F)F)C2)C1 ZINC000335570422 283107209 /nfs/dbraw/zinc/10/72/09/283107209.db2.gz OXNVBWHWXIRUBX-NXEZZACHSA-N 2 2 252.280 0.937 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@H+](C[C@@H](O)C(F)(F)F)C2)C1 ZINC000335570422 283107211 /nfs/dbraw/zinc/10/72/11/283107211.db2.gz OXNVBWHWXIRUBX-NXEZZACHSA-N 2 2 252.280 0.937 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@H](O)C(F)(F)F)C2)C1 ZINC000335570422 283107213 /nfs/dbraw/zinc/10/72/13/283107213.db2.gz OXNVBWHWXIRUBX-NXEZZACHSA-N 2 2 252.280 0.937 20 0 CCADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)C[C@H]1O ZINC000341039298 355592093 /nfs/dbraw/zinc/59/20/93/355592093.db2.gz NMWNTIIZSHFOIO-BFHYXJOUSA-N 2 2 283.416 0.242 20 0 CCADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)C[C@H]1O ZINC000341039298 355592096 /nfs/dbraw/zinc/59/20/96/355592096.db2.gz NMWNTIIZSHFOIO-BFHYXJOUSA-N 2 2 283.416 0.242 20 0 CCADLP CC[C@H](COC)[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000341331965 355654635 /nfs/dbraw/zinc/65/46/35/355654635.db2.gz RBXQPWRHZXNZJC-CHWSQXEVSA-N 2 2 294.399 0.926 20 0 CCADLP COC(=O)CC[C@@H]([NH3+])C(=O)NCc1cn2ccccc2[nH+]1 ZINC000342764278 355740709 /nfs/dbraw/zinc/74/07/09/355740709.db2.gz HDFVGXGQDALABY-LLVKDONJSA-N 2 2 290.323 0.231 20 0 CCADLP Cc1c[nH+]c(CN2CC[N@H+](CCO)[C@@H](C)C2)n1C ZINC000342798810 355748971 /nfs/dbraw/zinc/74/89/71/355748971.db2.gz XMAVPLACBSKLOE-LBPRGKRZSA-N 2 2 252.362 0.227 20 0 CCADLP Cc1c[nH+]c(CN2CC[N@@H+](CCO)[C@@H](C)C2)n1C ZINC000342798810 355748972 /nfs/dbraw/zinc/74/89/72/355748972.db2.gz XMAVPLACBSKLOE-LBPRGKRZSA-N 2 2 252.362 0.227 20 0 CCADLP O=C(C[C@@H]1CC[NH2+]C1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000427323344 235359177 /nfs/dbraw/zinc/35/91/77/235359177.db2.gz WRGJNGRSVCFAFB-UONOGXRCSA-N 2 2 281.400 0.309 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)C1 ZINC000342826862 355754013 /nfs/dbraw/zinc/75/40/13/355754013.db2.gz ORUIPEYAVDGNPK-DNVSUFBTSA-N 2 2 265.401 0.973 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)C1 ZINC000342826862 355754017 /nfs/dbraw/zinc/75/40/17/355754017.db2.gz ORUIPEYAVDGNPK-DNVSUFBTSA-N 2 2 265.401 0.973 20 0 CCADLP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CC)C1 ZINC000342418518 355729423 /nfs/dbraw/zinc/72/94/23/355729423.db2.gz UFZSOCUJKAIUPG-LSDHHAIUSA-N 2 2 297.443 0.897 20 0 CCADLP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CC)C1 ZINC000342418518 355729426 /nfs/dbraw/zinc/72/94/26/355729426.db2.gz UFZSOCUJKAIUPG-LSDHHAIUSA-N 2 2 297.443 0.897 20 0 CCADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000345434546 355825523 /nfs/dbraw/zinc/82/55/23/355825523.db2.gz MNWWVAPSUJPELZ-MELADBBJSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000345434546 355825526 /nfs/dbraw/zinc/82/55/26/355825526.db2.gz MNWWVAPSUJPELZ-MELADBBJSA-N 2 2 283.416 0.696 20 0 CCADLP C[NH+](C)Cc1nc(CC2=[NH+][C@@H]3CCCC[C@H]3N2)no1 ZINC000350659189 355997489 /nfs/dbraw/zinc/99/74/89/355997489.db2.gz PWRWMHMPTKCESE-NXEZZACHSA-N 2 2 263.345 0.987 20 0 CCADLP CN1C[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)CC1=O ZINC000352764050 356073351 /nfs/dbraw/zinc/07/33/51/356073351.db2.gz ADARISKXKPEDNH-SECBINFHSA-N 2 2 268.386 0.525 20 0 CCADLP CO[C@H](C[NH3+])C(=O)NCCCCNc1cccc[nH+]1 ZINC000353468611 356230668 /nfs/dbraw/zinc/23/06/68/356230668.db2.gz OWBFGRMKJQBQEF-LLVKDONJSA-N 2 2 266.345 0.364 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)N1CCC[N@H+](CC(=O)NCC)CC1 ZINC000353471454 356232005 /nfs/dbraw/zinc/23/20/05/356232005.db2.gz NPJLTYLKCKSVGI-OAHLLOKOSA-N 2 2 298.431 0.174 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)N1CCC[N@@H+](CC(=O)NCC)CC1 ZINC000353471454 356232008 /nfs/dbraw/zinc/23/20/08/356232008.db2.gz NPJLTYLKCKSVGI-OAHLLOKOSA-N 2 2 298.431 0.174 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000353474816 356232281 /nfs/dbraw/zinc/23/22/81/356232281.db2.gz WNHWCFLOPSZGID-UTUOFQBUSA-N 2 2 250.346 0.776 20 0 CCADLP COCCOCC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000360790788 138010773 /nfs/dbraw/zinc/01/07/73/138010773.db2.gz IVEDIZZWDHXWCD-CQSZACIVSA-N 2 2 299.415 0.064 20 0 CCADLP COCCOCC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000360790788 138010774 /nfs/dbraw/zinc/01/07/74/138010774.db2.gz IVEDIZZWDHXWCD-CQSZACIVSA-N 2 2 299.415 0.064 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](CO)[C@@H]1CCOC1 ZINC000360885976 138014961 /nfs/dbraw/zinc/01/49/61/138014961.db2.gz UBFFQOBCEBLERJ-BHPKHCPMSA-N 2 2 268.401 0.704 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](CO)[C@@H]1CCOC1 ZINC000360885976 138014962 /nfs/dbraw/zinc/01/49/62/138014962.db2.gz UBFFQOBCEBLERJ-BHPKHCPMSA-N 2 2 268.401 0.704 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000360901261 138015342 /nfs/dbraw/zinc/01/53/42/138015342.db2.gz IJIGFSMFZBBOCR-RYUDHWBXSA-N 2 2 280.372 0.536 20 0 CCADLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc2c(c1)OCC(=O)N2 ZINC000353504147 356240881 /nfs/dbraw/zinc/24/08/81/356240881.db2.gz QFXDRMPMDGGVEQ-PWSUYJOCSA-N 2 2 293.367 0.591 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000353518222 356244279 /nfs/dbraw/zinc/24/42/79/356244279.db2.gz NBTIDEPELNBENY-ZNMIVQPWSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000361217688 138025379 /nfs/dbraw/zinc/02/53/79/138025379.db2.gz STJLNBVIXPCKQT-ZNMIVQPWSA-N 3 2 268.449 0.552 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000361217688 138025380 /nfs/dbraw/zinc/02/53/80/138025380.db2.gz STJLNBVIXPCKQT-ZNMIVQPWSA-N 3 2 268.449 0.552 20 0 CCADLP CNC(=O)C[C@H](C)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000361226973 138025826 /nfs/dbraw/zinc/02/58/26/138025826.db2.gz DNMSWPZYABNYQZ-LBPRGKRZSA-N 2 2 285.432 0.990 20 0 CCADLP COC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)C(C)C ZINC000361220088 138025923 /nfs/dbraw/zinc/02/59/23/138025923.db2.gz IQJGMQQNNXZRFX-QWHCGFSZSA-N 2 2 271.405 0.587 20 0 CCADLP COC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)C(C)C ZINC000361220088 138025924 /nfs/dbraw/zinc/02/59/24/138025924.db2.gz IQJGMQQNNXZRFX-QWHCGFSZSA-N 2 2 271.405 0.587 20 0 CCADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)CC(N)=O)CC1 ZINC000361231988 138025937 /nfs/dbraw/zinc/02/59/37/138025937.db2.gz WKEQNJHGHRSAHD-LLVKDONJSA-N 2 2 271.405 0.729 20 0 CCADLP Cc1cc[nH+]cc1N1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000361394852 138034474 /nfs/dbraw/zinc/03/44/74/138034474.db2.gz IUWQRIJZVRSRSB-UONOGXRCSA-N 2 2 263.341 0.272 20 0 CCADLP C[N@H+]([C@@H]1CCN(C2CC2)C1=O)C1CC[NH+](CCO)CC1 ZINC000361401708 138035329 /nfs/dbraw/zinc/03/53/29/138035329.db2.gz ZNUJRZLHBCLBLO-CQSZACIVSA-N 2 2 281.400 0.138 20 0 CCADLP C[N@@H+]([C@@H]1CCN(C2CC2)C1=O)C1CC[NH+](CCO)CC1 ZINC000361401708 138035330 /nfs/dbraw/zinc/03/53/30/138035330.db2.gz ZNUJRZLHBCLBLO-CQSZACIVSA-N 2 2 281.400 0.138 20 0 CCADLP O=C(NCc1[nH]cc[nH+]1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000362571000 138064726 /nfs/dbraw/zinc/06/47/26/138064726.db2.gz UHLHUVCWGJFIQT-QMMMGPOBSA-N 2 2 260.301 0.140 20 0 CCADLP Cc1cc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)no1 ZINC000362829541 138076070 /nfs/dbraw/zinc/07/60/70/138076070.db2.gz HCCUTWGHUSTGCZ-CYBMUJFWSA-N 2 2 278.356 0.379 20 0 CCADLP Cc1cc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)no1 ZINC000362829541 138076071 /nfs/dbraw/zinc/07/60/71/138076071.db2.gz HCCUTWGHUSTGCZ-CYBMUJFWSA-N 2 2 278.356 0.379 20 0 CCADLP Cc1ccc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cn1 ZINC000362664092 138068359 /nfs/dbraw/zinc/06/83/59/138068359.db2.gz MABFPMHMXCEHNB-OAHLLOKOSA-N 2 2 288.395 0.786 20 0 CCADLP Cc1ccc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cn1 ZINC000362664092 138068360 /nfs/dbraw/zinc/06/83/60/138068360.db2.gz MABFPMHMXCEHNB-OAHLLOKOSA-N 2 2 288.395 0.786 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCOC[C@@H]2OCCOC)C1 ZINC000362700838 138070602 /nfs/dbraw/zinc/07/06/02/138070602.db2.gz VYGSUJKZPIGLIO-XQLPTFJDSA-N 2 2 286.416 0.737 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCOC[C@@H]2OCCOC)C1 ZINC000362700838 138070603 /nfs/dbraw/zinc/07/06/03/138070603.db2.gz VYGSUJKZPIGLIO-XQLPTFJDSA-N 2 2 286.416 0.737 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)CCCC[NH+](C)C ZINC000560600188 291109183 /nfs/dbraw/zinc/10/91/83/291109183.db2.gz WHPVJFIGTWSQBL-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP COC(=O)CN1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000355242904 356616392 /nfs/dbraw/zinc/61/63/92/356616392.db2.gz RSGYLPFRMYSQJH-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP COC(=O)CN1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000355242904 356616393 /nfs/dbraw/zinc/61/63/93/356616393.db2.gz RSGYLPFRMYSQJH-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H](O)COc1ccccc1 ZINC000532451900 358510947 /nfs/dbraw/zinc/51/09/47/358510947.db2.gz IGPHPVMDIHCTRA-IPYPFGDCSA-N 2 2 264.369 0.966 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H](O)COc1ccccc1 ZINC000532451900 358510951 /nfs/dbraw/zinc/51/09/51/358510951.db2.gz IGPHPVMDIHCTRA-IPYPFGDCSA-N 2 2 264.369 0.966 20 0 CCADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000356284020 356740222 /nfs/dbraw/zinc/74/02/22/356740222.db2.gz QMJNEFPGOWTSHK-OLZOCXBDSA-N 2 2 285.432 0.990 20 0 CCADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000356284020 356740227 /nfs/dbraw/zinc/74/02/27/356740227.db2.gz QMJNEFPGOWTSHK-OLZOCXBDSA-N 2 2 285.432 0.990 20 0 CCADLP C[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)[NH+]1CCOCC1 ZINC000356306294 356743739 /nfs/dbraw/zinc/74/37/39/356743739.db2.gz BBRDNMRWGRWUQC-ZBFHGGJFSA-N 2 2 295.427 0.651 20 0 CCADLP C[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)[NH+]1CCOCC1 ZINC000356306294 356743740 /nfs/dbraw/zinc/74/37/40/356743740.db2.gz BBRDNMRWGRWUQC-ZBFHGGJFSA-N 2 2 295.427 0.651 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000359276845 356791572 /nfs/dbraw/zinc/79/15/72/356791572.db2.gz RWGSRVIBBFKCRS-STQMWFEESA-N 2 2 271.405 0.554 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000359276845 356791575 /nfs/dbraw/zinc/79/15/75/356791575.db2.gz RWGSRVIBBFKCRS-STQMWFEESA-N 2 2 271.405 0.554 20 0 CCADLP CCCCN(CC)C(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359287650 356794018 /nfs/dbraw/zinc/79/40/18/356794018.db2.gz YNVIRBHEXITKJM-CHWSQXEVSA-N 2 2 253.390 0.786 20 0 CCADLP CN(C)C(=O)[C@@H](c1ccccc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359298594 356797067 /nfs/dbraw/zinc/79/70/67/356797067.db2.gz FMHABEWCCZKHIO-QLFBSQMISA-N 2 2 273.380 0.967 20 0 CCADLP CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359298594 356797069 /nfs/dbraw/zinc/79/70/69/356797069.db2.gz FMHABEWCCZKHIO-QLFBSQMISA-N 2 2 273.380 0.967 20 0 CCADLP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CCCNC2=O)CC1 ZINC000359510753 356835192 /nfs/dbraw/zinc/83/51/92/356835192.db2.gz KLHFQOBTBOHATI-AWEZNQCLSA-N 2 2 283.416 0.744 20 0 CCADLP CO[C@@H]1CC[N@H+](CCC(=O)NC2CCCC2)[C@@H](C[NH3+])C1 ZINC000359038697 356786733 /nfs/dbraw/zinc/78/67/33/356786733.db2.gz GGKCUKAMRNPTOW-ZIAGYGMSSA-N 2 2 283.416 0.873 20 0 CCADLP CO[C@@H]1CC[N@@H+](CCC(=O)NC2CCCC2)[C@@H](C[NH3+])C1 ZINC000359038697 356786737 /nfs/dbraw/zinc/78/67/37/356786737.db2.gz GGKCUKAMRNPTOW-ZIAGYGMSSA-N 2 2 283.416 0.873 20 0 CCADLP CCOC(=O)c1c[nH+]ccc1N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000359556150 356842656 /nfs/dbraw/zinc/84/26/56/356842656.db2.gz CNEVAOQHCFAIIM-KBPBESRZSA-N 2 2 291.351 0.778 20 0 CCADLP CCOC(=O)c1c[nH+]ccc1N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000359556150 356842658 /nfs/dbraw/zinc/84/26/58/356842658.db2.gz CNEVAOQHCFAIIM-KBPBESRZSA-N 2 2 291.351 0.778 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C(=O)OC)C3CC3)C2)CC1 ZINC000359601195 356855212 /nfs/dbraw/zinc/85/52/12/356855212.db2.gz SGJNKTXXPPKWJY-CABCVRRESA-N 2 2 295.427 0.650 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C(=O)OC)C3CC3)C2)CC1 ZINC000359601195 356855215 /nfs/dbraw/zinc/85/52/15/356855215.db2.gz SGJNKTXXPPKWJY-CABCVRRESA-N 2 2 295.427 0.650 20 0 CCADLP c1cn(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c[nH+]1 ZINC000655690386 412645943 /nfs/dbraw/zinc/64/59/43/412645943.db2.gz NHXVIWXTCVZALA-AWEZNQCLSA-N 3 2 264.373 0.726 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(CCCO)CC2)CC1 ZINC000360089884 356944488 /nfs/dbraw/zinc/94/44/88/356944488.db2.gz UGZOWMLTJFQDAF-UHFFFAOYSA-N 2 2 283.416 0.245 20 0 CCADLP O=C1NCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000360036857 356938519 /nfs/dbraw/zinc/93/85/19/356938519.db2.gz ALJRWOOUKKRXLA-HNNXBMFYSA-N 2 2 288.395 0.914 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360533669 357036527 /nfs/dbraw/zinc/03/65/27/357036527.db2.gz AZVLCSXKGRTRLG-IINYFYTJSA-N 2 2 280.372 0.049 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360533669 357036532 /nfs/dbraw/zinc/03/65/32/357036532.db2.gz AZVLCSXKGRTRLG-IINYFYTJSA-N 2 2 280.372 0.049 20 0 CCADLP C[N@H+](C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1)[C@@H]1COC[C@H]1O ZINC000361381537 357046634 /nfs/dbraw/zinc/04/66/34/357046634.db2.gz OJDFWDZMOUUVCJ-ZJIFWQFVSA-N 2 2 291.395 0.766 20 0 CCADLP C[N@@H+](C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1)[C@@H]1COC[C@H]1O ZINC000361381537 357046635 /nfs/dbraw/zinc/04/66/35/357046635.db2.gz OJDFWDZMOUUVCJ-ZJIFWQFVSA-N 2 2 291.395 0.766 20 0 CCADLP C[NH+](C[C@@H]1CC[N@H+](C)[C@@H]1c1cccnc1)[C@@H]1COC[C@H]1O ZINC000361381537 357046636 /nfs/dbraw/zinc/04/66/36/357046636.db2.gz OJDFWDZMOUUVCJ-ZJIFWQFVSA-N 2 2 291.395 0.766 20 0 CCADLP C[NH+](C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccnc1)[C@@H]1COC[C@H]1O ZINC000361381537 357046637 /nfs/dbraw/zinc/04/66/37/357046637.db2.gz OJDFWDZMOUUVCJ-ZJIFWQFVSA-N 2 2 291.395 0.766 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H](C)[C@H]1C[NH+](C)CCO1 ZINC000655709684 412650536 /nfs/dbraw/zinc/65/05/36/412650536.db2.gz FZZUCRXQHKBDQD-MGPQQGTHSA-N 2 2 298.431 0.441 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@H](C)[C@H]1C[NH+](C)CCO1 ZINC000655709684 412650538 /nfs/dbraw/zinc/65/05/38/412650538.db2.gz FZZUCRXQHKBDQD-MGPQQGTHSA-N 2 2 298.431 0.441 20 0 CCADLP CC[C@@H]1C[NH+](C)CCN1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000655709684 412650542 /nfs/dbraw/zinc/65/05/42/412650542.db2.gz FZZUCRXQHKBDQD-MGPQQGTHSA-N 2 2 298.431 0.441 20 0 CCADLP CC[C@@H]1C[NH+](C)CCN1C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000655709684 412650544 /nfs/dbraw/zinc/65/05/44/412650544.db2.gz FZZUCRXQHKBDQD-MGPQQGTHSA-N 2 2 298.431 0.441 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655712415 412650757 /nfs/dbraw/zinc/65/07/57/412650757.db2.gz MWXPNLLPTJVGEN-HUUCEWRRSA-N 3 2 285.432 0.142 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366477490 357215106 /nfs/dbraw/zinc/21/51/06/357215106.db2.gz AVDAKCXHASXDPM-BXUZGUMPSA-N 2 2 282.388 0.248 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366477490 357215110 /nfs/dbraw/zinc/21/51/10/357215110.db2.gz AVDAKCXHASXDPM-BXUZGUMPSA-N 2 2 282.388 0.248 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366477490 357215113 /nfs/dbraw/zinc/21/51/13/357215113.db2.gz AVDAKCXHASXDPM-BXUZGUMPSA-N 2 2 282.388 0.248 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366477490 357215116 /nfs/dbraw/zinc/21/51/16/357215116.db2.gz AVDAKCXHASXDPM-BXUZGUMPSA-N 2 2 282.388 0.248 20 0 CCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366495562 357219524 /nfs/dbraw/zinc/21/95/24/357219524.db2.gz HELUGGRYRXEIMQ-CQSZACIVSA-N 2 2 253.390 0.786 20 0 CCADLP CC(C)CNC(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366495562 357219528 /nfs/dbraw/zinc/21/95/28/357219528.db2.gz HELUGGRYRXEIMQ-CQSZACIVSA-N 2 2 253.390 0.786 20 0 CCADLP CC(C)CNC(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366495562 357219531 /nfs/dbraw/zinc/21/95/31/357219531.db2.gz HELUGGRYRXEIMQ-CQSZACIVSA-N 2 2 253.390 0.786 20 0 CCADLP CC(C)CNC(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366495562 357219537 /nfs/dbraw/zinc/21/95/37/357219537.db2.gz HELUGGRYRXEIMQ-CQSZACIVSA-N 2 2 253.390 0.786 20 0 CCADLP CC(C)(C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCOCC1 ZINC000366991756 357263219 /nfs/dbraw/zinc/26/32/19/357263219.db2.gz ZRLRBVQMAJUMLR-KBPBESRZSA-N 2 2 295.427 0.840 20 0 CCADLP CC(C)(C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCOCC1 ZINC000366991756 357263226 /nfs/dbraw/zinc/26/32/26/357263226.db2.gz ZRLRBVQMAJUMLR-KBPBESRZSA-N 2 2 295.427 0.840 20 0 CCADLP CO[C@@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370836785 357356839 /nfs/dbraw/zinc/35/68/39/357356839.db2.gz BJNKSAGZGQVSRO-GXTWGEPZSA-N 2 2 283.416 0.648 20 0 CCADLP CO[C@@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370836785 357356845 /nfs/dbraw/zinc/35/68/45/357356845.db2.gz BJNKSAGZGQVSRO-GXTWGEPZSA-N 2 2 283.416 0.648 20 0 CCADLP CNS(=O)(=O)[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000371197621 357367626 /nfs/dbraw/zinc/36/76/26/357367626.db2.gz JTXAMIUTHGGLMY-QWHCGFSZSA-N 2 2 289.445 0.484 20 0 CCADLP CNS(=O)(=O)[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000371197621 357367629 /nfs/dbraw/zinc/36/76/29/357367629.db2.gz JTXAMIUTHGGLMY-QWHCGFSZSA-N 2 2 289.445 0.484 20 0 CCADLP CNS(=O)(=O)[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000371197621 357367632 /nfs/dbraw/zinc/36/76/32/357367632.db2.gz JTXAMIUTHGGLMY-QWHCGFSZSA-N 2 2 289.445 0.484 20 0 CCADLP CNS(=O)(=O)[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000371197621 357367635 /nfs/dbraw/zinc/36/76/35/357367635.db2.gz JTXAMIUTHGGLMY-QWHCGFSZSA-N 2 2 289.445 0.484 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000377198966 357552227 /nfs/dbraw/zinc/55/22/27/357552227.db2.gz RQVBVSXXJCYWAF-KGLIPLIRSA-N 3 2 294.443 0.271 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000377198966 357552231 /nfs/dbraw/zinc/55/22/31/357552231.db2.gz RQVBVSXXJCYWAF-KGLIPLIRSA-N 3 2 294.443 0.271 20 0 CCADLP CCN(C)C(=O)[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655760838 412656764 /nfs/dbraw/zinc/65/67/64/412656764.db2.gz YYXLBRDODXJIQO-GXTWGEPZSA-N 2 2 283.416 0.696 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000378208367 357659488 /nfs/dbraw/zinc/65/94/88/357659488.db2.gz VYQRZDYHTQFEDB-JTQLQIEISA-N 2 2 250.346 0.971 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378208367 357659494 /nfs/dbraw/zinc/65/94/94/357659494.db2.gz VYQRZDYHTQFEDB-JTQLQIEISA-N 2 2 250.346 0.971 20 0 CCADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]CC1=CCCOC1 ZINC000449396447 236033242 /nfs/dbraw/zinc/03/32/42/236033242.db2.gz RXEDXNOBUZLZTR-AWEZNQCLSA-N 2 2 254.374 0.770 20 0 CCADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]CC1=CCCOC1 ZINC000449396447 236033243 /nfs/dbraw/zinc/03/32/43/236033243.db2.gz RXEDXNOBUZLZTR-AWEZNQCLSA-N 2 2 254.374 0.770 20 0 CCADLP CCn1cc[nH+]c1CN1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000404281748 357819801 /nfs/dbraw/zinc/81/98/01/357819801.db2.gz VRTXGXNINVDYMG-RYUDHWBXSA-N 2 2 250.346 0.466 20 0 CCADLP CCCN(C(=O)NCC[N@@H+]1CCOC[C@@H]1C)[C@@H]1CC[NH2+]C1 ZINC000561164337 291118979 /nfs/dbraw/zinc/11/89/79/291118979.db2.gz PQPZBHVHFPNMSK-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CCCN(C(=O)NCC[N@H+]1CCOC[C@@H]1C)[C@@H]1CC[NH2+]C1 ZINC000561164337 291118982 /nfs/dbraw/zinc/11/89/82/291118982.db2.gz PQPZBHVHFPNMSK-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H](CC(N)=O)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352794128 219634755 /nfs/dbraw/zinc/63/47/55/219634755.db2.gz UVULEHDLXWTMDZ-QMMMGPOBSA-N 2 2 256.375 0.558 20 0 CCADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000561272405 291125592 /nfs/dbraw/zinc/12/55/92/291125592.db2.gz DJVWWIPLRSIGBK-AVERBVTBSA-N 2 2 294.399 0.581 20 0 CCADLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000561272405 291125594 /nfs/dbraw/zinc/12/55/94/291125594.db2.gz DJVWWIPLRSIGBK-AVERBVTBSA-N 2 2 294.399 0.581 20 0 CCADLP Cc1cc(NC(=O)N2CC[N@@H+](CCO)C[C@H]2C)cc[nH+]1 ZINC000455045860 236321525 /nfs/dbraw/zinc/32/15/25/236321525.db2.gz SCTZGUBGCDKRLJ-GFCCVEGCSA-N 2 2 278.356 0.342 20 0 CCADLP Cc1cc(NC(=O)N2CC[N@H+](CCO)C[C@H]2C)cc[nH+]1 ZINC000455045860 236321528 /nfs/dbraw/zinc/32/15/28/236321528.db2.gz SCTZGUBGCDKRLJ-GFCCVEGCSA-N 2 2 278.356 0.342 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1[nH+]ccn1C ZINC000408434918 358092636 /nfs/dbraw/zinc/09/26/36/358092636.db2.gz JUIJMGPMRJKLAA-VXGBXAGGSA-N 2 2 279.388 0.902 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1[nH+]ccn1C ZINC000408434918 358092640 /nfs/dbraw/zinc/09/26/40/358092640.db2.gz JUIJMGPMRJKLAA-VXGBXAGGSA-N 2 2 279.388 0.902 20 0 CCADLP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420349499 358180358 /nfs/dbraw/zinc/18/03/58/358180358.db2.gz DAQSZPNQVBOWDN-UKRRQHHQSA-N 2 2 293.411 0.593 20 0 CCADLP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420349499 358180361 /nfs/dbraw/zinc/18/03/61/358180361.db2.gz DAQSZPNQVBOWDN-UKRRQHHQSA-N 2 2 293.411 0.593 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCN1CCOCC1(C)C ZINC000422715642 358192682 /nfs/dbraw/zinc/19/26/82/358192682.db2.gz SLVKOQCWDFUHTG-OLZOCXBDSA-N 2 2 255.406 0.685 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NCC[N@@H+]1CCOCC1(C)C ZINC000422715642 358192683 /nfs/dbraw/zinc/19/26/83/358192683.db2.gz SLVKOQCWDFUHTG-OLZOCXBDSA-N 2 2 255.406 0.685 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NCC[N@H+]1CCOCC1(C)C ZINC000422715642 358192684 /nfs/dbraw/zinc/19/26/84/358192684.db2.gz SLVKOQCWDFUHTG-OLZOCXBDSA-N 2 2 255.406 0.685 20 0 CCADLP CC[NH+](CC)CCOCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423030657 358196278 /nfs/dbraw/zinc/19/62/78/358196278.db2.gz CEHBAVWOLUMIJQ-UONOGXRCSA-N 3 2 257.422 0.932 20 0 CCADLP C[C@H](CS(C)(=O)=O)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423260593 358198250 /nfs/dbraw/zinc/19/82/50/358198250.db2.gz HPVMXDOCUVSWFP-ZYHUDNBSSA-N 2 2 262.419 0.917 20 0 CCADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000423242877 358198259 /nfs/dbraw/zinc/19/82/59/358198259.db2.gz WAHOGUZDNIGWGF-DGCLKSJQSA-N 2 2 297.424 0.997 20 0 CCADLP CCOC(=O)C1([C@@H](C)[NH2+]CC(F)(F)CN)CC[NH2+]CC1 ZINC000423336329 358198812 /nfs/dbraw/zinc/19/88/12/358198812.db2.gz GSZRGVFXNHRWIG-SNVBAGLBSA-N 2 2 293.358 0.491 20 0 CCADLP c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)CO2 ZINC000423541793 358201519 /nfs/dbraw/zinc/20/15/19/358201519.db2.gz AXJSKRKLJKPHHZ-KGLIPLIRSA-N 2 2 262.353 0.958 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CN(C(=O)[C@@H]([NH3+])C(C)(C)C)CCN1C ZINC000423863402 358207457 /nfs/dbraw/zinc/20/74/57/358207457.db2.gz HZGUXMHXKGCIGU-NWDGAFQWSA-N 2 2 293.415 0.609 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000430598971 358228177 /nfs/dbraw/zinc/22/81/77/358228177.db2.gz FKUYLKNOSKVWAT-TZMCWYRMSA-N 2 2 291.399 0.457 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000430598971 358228181 /nfs/dbraw/zinc/22/81/81/358228181.db2.gz FKUYLKNOSKVWAT-TZMCWYRMSA-N 2 2 291.399 0.457 20 0 CCADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@H]1CCCOC1 ZINC000449390631 358251840 /nfs/dbraw/zinc/25/18/40/358251840.db2.gz GYZBKPZVIAEOEP-ZIAGYGMSSA-N 2 2 256.390 0.849 20 0 CCADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@H]1CCCOC1 ZINC000449390631 358251845 /nfs/dbraw/zinc/25/18/45/358251845.db2.gz GYZBKPZVIAEOEP-ZIAGYGMSSA-N 2 2 256.390 0.849 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@](C)(CO)c1cccc(O)c1)C1CC1 ZINC000451036519 358259239 /nfs/dbraw/zinc/25/92/39/358259239.db2.gz FRWKQKAXUITIEM-HZPDHXFCSA-N 2 2 294.395 0.644 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@](C)(CO)c1cccc(O)c1)C1CC1 ZINC000451036519 358259241 /nfs/dbraw/zinc/25/92/41/358259241.db2.gz FRWKQKAXUITIEM-HZPDHXFCSA-N 2 2 294.395 0.644 20 0 CCADLP CCCNC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339435443 283370030 /nfs/dbraw/zinc/37/00/30/283370030.db2.gz AQDBQXBFRVTRKG-CQSZACIVSA-N 2 2 253.390 0.930 20 0 CCADLP CCCNC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339435443 283370031 /nfs/dbraw/zinc/37/00/31/283370031.db2.gz AQDBQXBFRVTRKG-CQSZACIVSA-N 2 2 253.390 0.930 20 0 CCADLP CCCNC(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339435443 283370032 /nfs/dbraw/zinc/37/00/32/283370032.db2.gz AQDBQXBFRVTRKG-CQSZACIVSA-N 2 2 253.390 0.930 20 0 CCADLP CCCNC(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339435443 283370034 /nfs/dbraw/zinc/37/00/34/283370034.db2.gz AQDBQXBFRVTRKG-CQSZACIVSA-N 2 2 253.390 0.930 20 0 CCADLP CC(C)[C@@H]1C[NH2+]CCN1CCC(=O)N1CC[NH+](C)CC1 ZINC000530228470 358382770 /nfs/dbraw/zinc/38/27/70/358382770.db2.gz VFGDMINUSFVQOZ-AWEZNQCLSA-N 2 2 282.432 0.080 20 0 CCADLP CC(C)[C@@H]1CNCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000530228470 358382775 /nfs/dbraw/zinc/38/27/75/358382775.db2.gz VFGDMINUSFVQOZ-AWEZNQCLSA-N 2 2 282.432 0.080 20 0 CCADLP CC(C)[C@@H]1CNCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000530228470 358382780 /nfs/dbraw/zinc/38/27/80/358382780.db2.gz VFGDMINUSFVQOZ-AWEZNQCLSA-N 2 2 282.432 0.080 20 0 CCADLP CC1([NH+]2CCOCC2)CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000530233187 358383736 /nfs/dbraw/zinc/38/37/36/358383736.db2.gz UXURTTZNODLSRJ-UHFFFAOYSA-N 3 2 296.459 0.078 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000530299625 358390518 /nfs/dbraw/zinc/39/05/18/358390518.db2.gz FNQNXFGERLBDGQ-UHFFFAOYSA-N 2 2 250.346 0.563 20 0 CCADLP CN(CC[NH+](C)C)C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000530648685 358413708 /nfs/dbraw/zinc/41/37/08/358413708.db2.gz HISHVCKSMCLVGH-UHFFFAOYSA-N 2 2 274.328 0.296 20 0 CCADLP Cc1ccccc1[C@H]([NH3+])C(=O)NCC(F)(F)C[NH3+] ZINC000294895164 199235836 /nfs/dbraw/zinc/23/58/36/199235836.db2.gz WTBHGYPFKSJADE-JTQLQIEISA-N 2 2 257.284 0.705 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000530893701 358430285 /nfs/dbraw/zinc/43/02/85/358430285.db2.gz GIQAKORRQCVESW-ZDUSSCGKSA-N 3 2 282.432 0.080 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000530893701 358430286 /nfs/dbraw/zinc/43/02/86/358430286.db2.gz GIQAKORRQCVESW-ZDUSSCGKSA-N 3 2 282.432 0.080 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)C1CC1 ZINC000567683451 358571306 /nfs/dbraw/zinc/57/13/06/358571306.db2.gz NXWITKLQEMBPCD-WCQYABFASA-N 2 2 283.416 0.431 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)C1CC1 ZINC000567683451 358571308 /nfs/dbraw/zinc/57/13/08/358571308.db2.gz NXWITKLQEMBPCD-WCQYABFASA-N 2 2 283.416 0.431 20 0 CCADLP COCCC[NH+]1CCC([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000567682583 358571803 /nfs/dbraw/zinc/57/18/03/358571803.db2.gz WKWWABRCPJNQIZ-MRXNPFEDSA-N 3 2 299.459 0.532 20 0 CCADLP COCCC[NH+]1CCC([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000567682583 358571805 /nfs/dbraw/zinc/57/18/05/358571805.db2.gz WKWWABRCPJNQIZ-MRXNPFEDSA-N 3 2 299.459 0.532 20 0 CCADLP CC(C)C[C@H](CO)[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000567734814 358579317 /nfs/dbraw/zinc/57/93/17/358579317.db2.gz YKTNLKQKPHXVQU-XQLPTFJDSA-N 2 2 288.432 0.453 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC2(C[C@H]2C(=O)OC)CC1 ZINC000568169788 358640758 /nfs/dbraw/zinc/64/07/58/358640758.db2.gz UEKMRSGIIHWLJL-STQMWFEESA-N 2 2 284.400 0.574 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC2(C[C@H]2C(=O)OC)CC1 ZINC000568169788 358640759 /nfs/dbraw/zinc/64/07/59/358640759.db2.gz UEKMRSGIIHWLJL-STQMWFEESA-N 2 2 284.400 0.574 20 0 CCADLP COc1c(N)[nH+]cnc1NCC1([NH+](C)C)CCOCC1 ZINC000568242810 358655610 /nfs/dbraw/zinc/65/56/10/358655610.db2.gz XJYPLSYOTIFTMO-UHFFFAOYSA-N 2 2 281.360 0.012 20 0 CCADLP Cn1cc[nH+]c1CN1CCN(C(=O)CC[NH2+]C2CC2)CC1 ZINC000568647422 358694345 /nfs/dbraw/zinc/69/43/45/358694345.db2.gz NJQWADAYMRCWBR-UHFFFAOYSA-N 2 2 291.399 0.206 20 0 CCADLP [NH3+]CCCCNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000569220592 358744103 /nfs/dbraw/zinc/74/41/03/358744103.db2.gz VODUQAFUMHDGJU-UHFFFAOYSA-N 2 2 263.332 0.819 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000569464869 358765730 /nfs/dbraw/zinc/76/57/30/358765730.db2.gz VSGDXNHYVKWITN-YPMHNXCESA-N 2 2 272.352 0.734 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000569464869 358765735 /nfs/dbraw/zinc/76/57/35/358765735.db2.gz VSGDXNHYVKWITN-YPMHNXCESA-N 2 2 272.352 0.734 20 0 CCADLP COC(=O)[C@H]([NH2+]CCCc1c[nH+]cn1C)C1CC1 ZINC000569468516 358767080 /nfs/dbraw/zinc/76/70/80/358767080.db2.gz DVBIYVBLWRFZFD-GFCCVEGCSA-N 2 2 251.330 0.894 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)no1 ZINC000568857361 358710248 /nfs/dbraw/zinc/71/02/48/358710248.db2.gz AZNQXCULKYITKN-GWCFXTLKSA-N 2 2 292.383 0.806 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)no1 ZINC000568857361 358710250 /nfs/dbraw/zinc/71/02/50/358710250.db2.gz AZNQXCULKYITKN-GWCFXTLKSA-N 2 2 292.383 0.806 20 0 CCADLP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(C(N)=O)cc2)CC1 ZINC000569000925 358725739 /nfs/dbraw/zinc/72/57/39/358725739.db2.gz QPQNZHHCKQCHEU-UHFFFAOYSA-N 2 2 291.395 0.722 20 0 CCADLP Cc1cncc(C[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000569111344 358735335 /nfs/dbraw/zinc/73/53/35/358735335.db2.gz REIAHQWUCWBTQB-IJEWVQPXSA-N 2 2 293.411 0.950 20 0 CCADLP CCOC[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000569588613 358776982 /nfs/dbraw/zinc/77/69/82/358776982.db2.gz PUHMAGZZPKYKSB-HUUCEWRRSA-N 2 2 288.432 0.674 20 0 CCADLP CCOC[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000569588613 358776984 /nfs/dbraw/zinc/77/69/84/358776984.db2.gz PUHMAGZZPKYKSB-HUUCEWRRSA-N 2 2 288.432 0.674 20 0 CCADLP CCOC[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000569588613 358776986 /nfs/dbraw/zinc/77/69/86/358776986.db2.gz PUHMAGZZPKYKSB-HUUCEWRRSA-N 2 2 288.432 0.674 20 0 CCADLP CCOC[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000569588613 358776989 /nfs/dbraw/zinc/77/69/89/358776989.db2.gz PUHMAGZZPKYKSB-HUUCEWRRSA-N 2 2 288.432 0.674 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1CC[NH+]1CCOC[C@@H]1C ZINC000569716583 358788033 /nfs/dbraw/zinc/78/80/33/358788033.db2.gz TVMGJUYLOSQOOD-UONOGXRCSA-N 2 2 255.406 0.733 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1CC[NH+]1CCOC[C@@H]1C ZINC000569716583 358788035 /nfs/dbraw/zinc/78/80/35/358788035.db2.gz TVMGJUYLOSQOOD-UONOGXRCSA-N 2 2 255.406 0.733 20 0 CCADLP CC[C@@H]1C[NH+](C)CCN1CC[N@@H+]1CCOC[C@@H]1C ZINC000569716583 358788038 /nfs/dbraw/zinc/78/80/38/358788038.db2.gz TVMGJUYLOSQOOD-UONOGXRCSA-N 2 2 255.406 0.733 20 0 CCADLP CC[C@@H]1C[NH+](C)CCN1CC[N@H+]1CCOC[C@@H]1C ZINC000569716583 358788041 /nfs/dbraw/zinc/78/80/41/358788041.db2.gz TVMGJUYLOSQOOD-UONOGXRCSA-N 2 2 255.406 0.733 20 0 CCADLP C[N@@H+]1CCc2ncnc(NC[C@H]3CCC[C@H]([NH3+])C3)c2C1 ZINC000569913171 358803960 /nfs/dbraw/zinc/80/39/60/358803960.db2.gz ZBYYASRPAZLXIZ-RYUDHWBXSA-N 2 2 275.400 0.816 20 0 CCADLP C[N@H+]1CCc2ncnc(NC[C@H]3CCC[C@H]([NH3+])C3)c2C1 ZINC000569913171 358803964 /nfs/dbraw/zinc/80/39/64/358803964.db2.gz ZBYYASRPAZLXIZ-RYUDHWBXSA-N 2 2 275.400 0.816 20 0 CCADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CC[N@H+](C)C[C@H]2C)C1(C)C ZINC000261640034 535438547 /nfs/dbraw/zinc/43/85/47/535438547.db2.gz JHUWYDNIOBNYMS-LALPHHSUSA-N 2 2 283.416 0.681 20 0 CCADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CC[N@@H+](C)C[C@H]2C)C1(C)C ZINC000261640034 535438550 /nfs/dbraw/zinc/43/85/50/535438550.db2.gz JHUWYDNIOBNYMS-LALPHHSUSA-N 2 2 283.416 0.681 20 0 CCADLP C[NH+](C)CCn1ccc(C(=O)N2CC[NH+](C3CC3)CC2)n1 ZINC000570222861 358835349 /nfs/dbraw/zinc/83/53/49/358835349.db2.gz JFVITPJDCZLDHL-UHFFFAOYSA-N 2 2 291.399 0.365 20 0 CCADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000571095351 358911928 /nfs/dbraw/zinc/91/19/28/358911928.db2.gz HUVRQEJGNQEIEP-AWEZNQCLSA-N 2 2 282.363 0.313 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@@H](C)[NH+]1CCN(C)CC1)[C@@H](C)[NH3+] ZINC000570679458 358882647 /nfs/dbraw/zinc/88/26/47/358882647.db2.gz XGLQBHZRRKDJDW-MCIONIFRSA-N 2 2 284.448 0.358 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@H](C)[NH+]1CCN(C)CC1)[C@@H](C)[NH3+] ZINC000570679459 358882722 /nfs/dbraw/zinc/88/27/22/358882722.db2.gz XGLQBHZRRKDJDW-MJBXVCDLSA-N 2 2 284.448 0.358 20 0 CCADLP Nc1nc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)[nH+]c2ccccc12 ZINC000570771730 358892945 /nfs/dbraw/zinc/89/29/45/358892945.db2.gz KPVSVNPWCZAAQZ-TXEJJXNPSA-N 2 2 299.378 0.739 20 0 CCADLP Nc1nc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)[nH+]c2ccccc12 ZINC000570771730 358892949 /nfs/dbraw/zinc/89/29/49/358892949.db2.gz KPVSVNPWCZAAQZ-TXEJJXNPSA-N 2 2 299.378 0.739 20 0 CCADLP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+]2CCC[C@@](C)(F)C2)C1=O ZINC000570786906 358893526 /nfs/dbraw/zinc/89/35/26/358893526.db2.gz LMVOAPRLSUUFGI-IUODEOHRSA-N 2 2 299.390 0.890 20 0 CCADLP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+]2CCC[C@@](C)(F)C2)C1=O ZINC000570786906 358893527 /nfs/dbraw/zinc/89/35/27/358893527.db2.gz LMVOAPRLSUUFGI-IUODEOHRSA-N 2 2 299.390 0.890 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000573207310 358947923 /nfs/dbraw/zinc/94/79/23/358947923.db2.gz JYBICWOQGXUWTI-QWRGUYRKSA-N 2 2 260.403 0.480 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000573207310 358947924 /nfs/dbraw/zinc/94/79/24/358947924.db2.gz JYBICWOQGXUWTI-QWRGUYRKSA-N 2 2 260.403 0.480 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)CO ZINC000573264981 358952376 /nfs/dbraw/zinc/95/23/76/358952376.db2.gz OKOAFKMXTFWBME-UHFFFAOYSA-N 2 2 285.432 0.489 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)CO ZINC000573264981 358952380 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CCn1cc(CC[N@@H+]2CCO[C@H]([C@@H](C)[NH3+])C2)cn1 ZINC000621775185 366861985 /nfs/dbraw/zinc/86/19/85/366861985.db2.gz IFSDNUADKRCRJM-YPMHNXCESA-N 2 2 252.362 0.494 20 0 CCADLP CCn1cc(CC[N@H+]2CCO[C@H]([C@@H](C)[NH3+])C2)cn1 ZINC000621775185 366861989 /nfs/dbraw/zinc/86/19/89/366861989.db2.gz IFSDNUADKRCRJM-YPMHNXCESA-N 2 2 252.362 0.494 20 0 CCADLP Cc1cc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)ccn1 ZINC000621775814 366864059 /nfs/dbraw/zinc/86/40/59/366864059.db2.gz ZNANWBWSAQBTSF-OAHLLOKOSA-N 2 2 288.395 0.786 20 0 CCADLP Cc1cc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)ccn1 ZINC000621775814 366864061 /nfs/dbraw/zinc/86/40/61/366864061.db2.gz ZNANWBWSAQBTSF-OAHLLOKOSA-N 2 2 288.395 0.786 20 0 CCADLP CN(C)S(=O)(=O)CCC[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621782099 366866294 /nfs/dbraw/zinc/86/62/94/366866294.db2.gz MIXVJFZBJAUGIT-VXGBXAGGSA-N 2 2 275.418 0.081 20 0 CCADLP CN(C)S(=O)(=O)CCC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621782099 366866297 /nfs/dbraw/zinc/86/62/97/366866297.db2.gz MIXVJFZBJAUGIT-VXGBXAGGSA-N 2 2 275.418 0.081 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C1([NH+](C)C)CC1 ZINC000614718195 364709369 /nfs/dbraw/zinc/70/93/69/364709369.db2.gz QLIOPZYJGZYBKO-OLZOCXBDSA-N 2 2 281.400 0.402 20 0 CCADLP C[C@@]1(F)C[NH2+]CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)C1 ZINC000564957503 291325935 /nfs/dbraw/zinc/32/59/35/291325935.db2.gz RCTXWKQYOWRDAN-QMTHXVAHSA-N 2 2 295.362 0.260 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C[NH+](C)C ZINC000615178187 364871410 /nfs/dbraw/zinc/87/14/10/364871410.db2.gz SYJSXHFMELXGSF-IJLUTSLNSA-N 2 2 264.373 0.838 20 0 CCADLP C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cc1c[nH+]cn1C ZINC000615303522 364913992 /nfs/dbraw/zinc/91/39/92/364913992.db2.gz IPDNFOVVBAUGND-JQWIXIFHSA-N 2 2 250.346 0.514 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000615380048 364933018 /nfs/dbraw/zinc/93/30/18/364933018.db2.gz JFQFPONJDXKJLR-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000615380048 364933020 /nfs/dbraw/zinc/93/30/20/364933020.db2.gz JFQFPONJDXKJLR-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@@H+]1CCO[C@H](C)C1)[C@H](C)[NH3+] ZINC000565027838 291337304 /nfs/dbraw/zinc/33/73/04/291337304.db2.gz DSUYMLVGSBIWBO-FRRDWIJNSA-N 2 2 271.405 0.443 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@H+]1CCO[C@H](C)C1)[C@H](C)[NH3+] ZINC000565027838 291337308 /nfs/dbraw/zinc/33/73/08/291337308.db2.gz DSUYMLVGSBIWBO-FRRDWIJNSA-N 2 2 271.405 0.443 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615551276 365004703 /nfs/dbraw/zinc/00/47/03/365004703.db2.gz XFOPUXIGKWVANS-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615551276 365004710 /nfs/dbraw/zinc/00/47/10/365004710.db2.gz XFOPUXIGKWVANS-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000565033749 291338321 /nfs/dbraw/zinc/33/83/21/291338321.db2.gz BBEYAUWUNNXVOB-NEPJUHHUSA-N 2 2 262.357 0.513 20 0 CCADLP C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000565033749 291338322 /nfs/dbraw/zinc/33/83/22/291338322.db2.gz BBEYAUWUNNXVOB-NEPJUHHUSA-N 2 2 262.357 0.513 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615539625 364997810 /nfs/dbraw/zinc/99/78/10/364997810.db2.gz YPHNQWXGPIBPES-CQSZACIVSA-N 2 2 292.383 0.666 20 0 CCADLP COc1ccc(C[NH2+]C[C@H]2C[NH2+]CCO2)c(F)c1 ZINC000565061460 291341595 /nfs/dbraw/zinc/34/15/95/291341595.db2.gz ZNQQNFAGPISAKZ-GFCCVEGCSA-N 2 2 254.305 0.912 20 0 CCADLP COCC[N@H+](CCCc1c[nH+]cn1C)CC(=O)OC ZINC000565161024 291349165 /nfs/dbraw/zinc/34/91/65/291349165.db2.gz FCPVLJJFWAMBIM-UHFFFAOYSA-N 2 2 269.345 0.474 20 0 CCADLP COCC[N@@H+](CCCc1c[nH+]cn1C)CC(=O)OC ZINC000565161024 291349168 /nfs/dbraw/zinc/34/91/68/291349168.db2.gz FCPVLJJFWAMBIM-UHFFFAOYSA-N 2 2 269.345 0.474 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCc1cnccn1 ZINC000565167363 291350686 /nfs/dbraw/zinc/35/06/86/291350686.db2.gz WPCJWOBWTOFPET-CYBMUJFWSA-N 2 2 252.362 0.264 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCc1cnccn1 ZINC000565167363 291350689 /nfs/dbraw/zinc/35/06/89/291350689.db2.gz WPCJWOBWTOFPET-CYBMUJFWSA-N 2 2 252.362 0.264 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCc1cnccn1 ZINC000565167363 291350691 /nfs/dbraw/zinc/35/06/91/291350691.db2.gz WPCJWOBWTOFPET-CYBMUJFWSA-N 2 2 252.362 0.264 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCc1cnccn1 ZINC000565167363 291350693 /nfs/dbraw/zinc/35/06/93/291350693.db2.gz WPCJWOBWTOFPET-CYBMUJFWSA-N 2 2 252.362 0.264 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621785088 366867714 /nfs/dbraw/zinc/86/77/14/366867714.db2.gz ZFLBBLNMBLKNOV-LTIDMASMSA-N 3 2 289.423 0.731 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621785088 366867716 /nfs/dbraw/zinc/86/77/16/366867716.db2.gz ZFLBBLNMBLKNOV-LTIDMASMSA-N 3 2 289.423 0.731 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH+]1CCOCC1 ZINC000565174495 291352228 /nfs/dbraw/zinc/35/22/28/291352228.db2.gz UFUKZXYYALGSHM-GFCCVEGCSA-N 2 2 280.372 0.427 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH+]1CCOCC1 ZINC000565174495 291352231 /nfs/dbraw/zinc/35/22/31/291352231.db2.gz UFUKZXYYALGSHM-GFCCVEGCSA-N 2 2 280.372 0.427 20 0 CCADLP COc1c(C)[nH+]cnc1NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000656117036 412744288 /nfs/dbraw/zinc/74/42/88/412744288.db2.gz PDPRIMHMPNYVAF-LLVKDONJSA-N 2 2 279.388 0.841 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)[C@@H]2CCC[C@H]2O)CC1 ZINC000511568281 241204574 /nfs/dbraw/zinc/20/45/74/241204574.db2.gz TWLWAXKVZWNHCG-MGPQQGTHSA-N 2 2 283.416 0.384 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)[C@@H]2CCC[C@H]2O)CC1 ZINC000511568281 241204581 /nfs/dbraw/zinc/20/45/81/241204581.db2.gz TWLWAXKVZWNHCG-MGPQQGTHSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000512448060 241224636 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COCC[N@H+](C)C[C@@H](O)C[NH+]1CC(C)(CC(F)F)C1 ZINC000656152555 412752135 /nfs/dbraw/zinc/75/21/35/412752135.db2.gz RAIFFEUOKXZQRD-LLVKDONJSA-N 2 2 280.359 0.903 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC(C)(CC(F)F)C1 ZINC000656152555 412752139 /nfs/dbraw/zinc/75/21/39/412752139.db2.gz RAIFFEUOKXZQRD-LLVKDONJSA-N 2 2 280.359 0.903 20 0 CCADLP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623176038 367463223 /nfs/dbraw/zinc/46/32/23/367463223.db2.gz BPKWIANGEUTCPA-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@](C[NH3+])(NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000623176323 367464568 /nfs/dbraw/zinc/46/45/68/367464568.db2.gz VBJPVXRWZLDFAX-QMTHXVAHSA-N 2 2 262.357 0.689 20 0 CCADLP C[C@](C[NH3+])(NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000623176322 367464617 /nfs/dbraw/zinc/46/46/17/367464617.db2.gz VBJPVXRWZLDFAX-IINYFYTJSA-N 2 2 262.357 0.689 20 0 CCADLP CCC[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623177352 367466216 /nfs/dbraw/zinc/46/62/16/367466216.db2.gz SWOWTQZWLMFUCF-NSHDSACASA-N 2 2 250.346 0.561 20 0 CCADLP C[C@H](C(=O)N[C@@H]1Cc2c[nH+]cn2C1)[NH+]1CCSCC1 ZINC000623263156 367501988 /nfs/dbraw/zinc/50/19/88/367501988.db2.gz DOWDFNWGTVFPDQ-GHMZBOCLSA-N 2 2 280.397 0.361 20 0 CCADLP O=C(N[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000623303081 367525421 /nfs/dbraw/zinc/52/54/21/367525421.db2.gz VMXRTQWWLKOJMI-RISCZKNCSA-N 2 2 274.368 0.941 20 0 CCADLP O=C(N[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000623303081 367525422 /nfs/dbraw/zinc/52/54/22/367525422.db2.gz VMXRTQWWLKOJMI-RISCZKNCSA-N 2 2 274.368 0.941 20 0 CCADLP CC1CC[NH+](CCNC(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000623461553 367567661 /nfs/dbraw/zinc/56/76/61/367567661.db2.gz OLKSIDFJFYNYMU-CQSZACIVSA-N 2 2 298.431 0.348 20 0 CCADLP CC1CC[NH+](CCNC(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000623461553 367567662 /nfs/dbraw/zinc/56/76/62/367567662.db2.gz OLKSIDFJFYNYMU-CQSZACIVSA-N 2 2 298.431 0.348 20 0 CCADLP CO[C@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000623619434 367605249 /nfs/dbraw/zinc/60/52/49/367605249.db2.gz FRRVNBINEIOICR-RDBSUJKOSA-N 2 2 283.416 0.873 20 0 CCADLP CO[C@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000623619434 367605256 /nfs/dbraw/zinc/60/52/56/367605256.db2.gz FRRVNBINEIOICR-RDBSUJKOSA-N 2 2 283.416 0.873 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)[C@@H](C)O1 ZINC000623619332 367606081 /nfs/dbraw/zinc/60/60/81/367606081.db2.gz BQGHBHOLWFTQPU-LPWJVIDDSA-N 2 2 269.389 0.482 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)[C@@H](C)O1 ZINC000623619332 367606085 /nfs/dbraw/zinc/60/60/85/367606085.db2.gz BQGHBHOLWFTQPU-LPWJVIDDSA-N 2 2 269.389 0.482 20 0 CCADLP CC[N@H+](CCNC(=O)NC[C@@H]1COCC[NH+]1C)C1CC1 ZINC000623573879 367595448 /nfs/dbraw/zinc/59/54/48/367595448.db2.gz ZEWCWRCOVGICGB-CYBMUJFWSA-N 2 2 284.404 0.101 20 0 CCADLP CC[N@@H+](CCNC(=O)NC[C@@H]1COCC[NH+]1C)C1CC1 ZINC000623573879 367595452 /nfs/dbraw/zinc/59/54/52/367595452.db2.gz ZEWCWRCOVGICGB-CYBMUJFWSA-N 2 2 284.404 0.101 20 0 CCADLP CC[NH+](CCNC(=O)NC[C@@H]1COCC[N@@H+]1C)C1CC1 ZINC000623573879 367595456 /nfs/dbraw/zinc/59/54/56/367595456.db2.gz ZEWCWRCOVGICGB-CYBMUJFWSA-N 2 2 284.404 0.101 20 0 CCADLP CC[NH+](CCNC(=O)NC[C@@H]1COCC[N@H+]1C)C1CC1 ZINC000623573879 367595460 /nfs/dbraw/zinc/59/54/60/367595460.db2.gz ZEWCWRCOVGICGB-CYBMUJFWSA-N 2 2 284.404 0.101 20 0 CCADLP CC[NH+]1CCC(NC(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000623705167 367623911 /nfs/dbraw/zinc/62/39/11/367623911.db2.gz JDZHKZFILHUYMF-ZDUSSCGKSA-N 2 2 284.404 0.101 20 0 CCADLP CC[NH+]1CCC(NC(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000623705167 367623917 /nfs/dbraw/zinc/62/39/17/367623917.db2.gz JDZHKZFILHUYMF-ZDUSSCGKSA-N 2 2 284.404 0.101 20 0 CCADLP CNC(=O)c1ccc(C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000623757817 367646843 /nfs/dbraw/zinc/64/68/43/367646843.db2.gz DNUQWQDICUZGKI-CQSZACIVSA-N 2 2 277.368 0.202 20 0 CCADLP CNC(=O)c1ccc(C[NH2+]CC[N@H+]2CC[C@@H](O)C2)cc1 ZINC000623757817 367646847 /nfs/dbraw/zinc/64/68/47/367646847.db2.gz DNUQWQDICUZGKI-CQSZACIVSA-N 2 2 277.368 0.202 20 0 CCADLP CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000623719127 367633666 /nfs/dbraw/zinc/63/36/66/367633666.db2.gz HTYQTUCTJCXTIN-KBPBESRZSA-N 2 2 298.431 0.348 20 0 CCADLP CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000623719127 367633669 /nfs/dbraw/zinc/63/36/69/367633669.db2.gz HTYQTUCTJCXTIN-KBPBESRZSA-N 2 2 298.431 0.348 20 0 CCADLP CCC[NH+]1CC[C@@H](CNC(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000623719127 367633670 /nfs/dbraw/zinc/63/36/70/367633670.db2.gz HTYQTUCTJCXTIN-KBPBESRZSA-N 2 2 298.431 0.348 20 0 CCADLP CCC[NH+]1CC[C@@H](CNC(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000623719127 367633675 /nfs/dbraw/zinc/63/36/75/367633675.db2.gz HTYQTUCTJCXTIN-KBPBESRZSA-N 2 2 298.431 0.348 20 0 CCADLP C[N@@H+]1CCN(c2nc(N)[nH+]c(N)n2)[C@H](c2ccccc2)C1 ZINC000623810393 367666660 /nfs/dbraw/zinc/66/66/60/367666660.db2.gz WWNDUWYBXYWYPZ-NSHDSACASA-N 2 2 285.355 0.190 20 0 CCADLP C[N@H+]1CCN(c2nc(N)[nH+]c(N)n2)[C@H](c2ccccc2)C1 ZINC000623810393 367666665 /nfs/dbraw/zinc/66/66/65/367666665.db2.gz WWNDUWYBXYWYPZ-NSHDSACASA-N 2 2 285.355 0.190 20 0 CCADLP COc1ccc(C[NH2+]CC[N@@H+]2CC[C@H](O)C2)cc1OC ZINC000623836367 367673376 /nfs/dbraw/zinc/67/33/76/367673376.db2.gz WXPYSGWFKLZXEW-ZDUSSCGKSA-N 2 2 280.368 0.860 20 0 CCADLP COc1ccc(C[NH2+]CC[N@H+]2CC[C@H](O)C2)cc1OC ZINC000623836367 367673383 /nfs/dbraw/zinc/67/33/83/367673383.db2.gz WXPYSGWFKLZXEW-ZDUSSCGKSA-N 2 2 280.368 0.860 20 0 CCADLP Cn1nccc1[C@H](CO)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000624020866 367726320 /nfs/dbraw/zinc/72/63/20/367726320.db2.gz YJMNTNABICZGBU-AVGNSLFASA-N 2 2 264.373 0.670 20 0 CCADLP Cn1nccc1[C@H](CO)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000624020866 367726327 /nfs/dbraw/zinc/72/63/27/367726327.db2.gz YJMNTNABICZGBU-AVGNSLFASA-N 2 2 264.373 0.670 20 0 CCADLP CC[N@@H+]1CC[C@H](N(C)c2nc(N)nc(N)[nH+]2)C[C@@H]1C ZINC000623988377 367717718 /nfs/dbraw/zinc/71/77/18/367717718.db2.gz HDYKKTKNPHRLRZ-IUCAKERBSA-N 2 2 265.365 0.006 20 0 CCADLP CC[N@H+]1CC[C@H](N(C)c2nc(N)nc(N)[nH+]2)C[C@@H]1C ZINC000623988377 367717721 /nfs/dbraw/zinc/71/77/21/367717721.db2.gz HDYKKTKNPHRLRZ-IUCAKERBSA-N 2 2 265.365 0.006 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCC[N@@H+](C)C1CC1)CC2 ZINC000624597679 367926244 /nfs/dbraw/zinc/92/62/44/367926244.db2.gz QVDDQNSNHWTIKZ-LBPRGKRZSA-N 2 2 276.384 0.964 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCC[N@H+](C)C1CC1)CC2 ZINC000624597679 367926250 /nfs/dbraw/zinc/92/62/50/367926250.db2.gz QVDDQNSNHWTIKZ-LBPRGKRZSA-N 2 2 276.384 0.964 20 0 CCADLP CCO[C@H](C[NH+]1CCN(C(=O)C[NH+](C)C)CC1)C1CC1 ZINC000625081455 368059554 /nfs/dbraw/zinc/05/95/54/368059554.db2.gz PVBSEZFDUIVTSJ-CQSZACIVSA-N 2 2 283.416 0.507 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCN(Cc2cn[nH]c2)CC1 ZINC000625474950 368216070 /nfs/dbraw/zinc/21/60/70/368216070.db2.gz XUPSRCPIXTVUMT-UHFFFAOYSA-N 2 2 274.372 0.504 20 0 CCADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H]1C(N)=O ZINC000625872732 368353409 /nfs/dbraw/zinc/35/34/09/368353409.db2.gz DUKKOTBLLMZQCD-CABCVRRESA-N 2 2 291.395 0.429 20 0 CCADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@H]1C(N)=O ZINC000625872732 368353415 /nfs/dbraw/zinc/35/34/15/368353415.db2.gz DUKKOTBLLMZQCD-CABCVRRESA-N 2 2 291.395 0.429 20 0 CCADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@H]1C(N)=O ZINC000625872732 368353423 /nfs/dbraw/zinc/35/34/23/368353423.db2.gz DUKKOTBLLMZQCD-CABCVRRESA-N 2 2 291.395 0.429 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[NH2+]C(C)(C)C1)CC2 ZINC000625979765 368383594 /nfs/dbraw/zinc/38/35/94/368383594.db2.gz WEJXHEBOMZGOSK-LBPRGKRZSA-N 2 2 276.384 0.964 20 0 CCADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000626089650 368437058 /nfs/dbraw/zinc/43/70/58/368437058.db2.gz ZDSOMHPQTYTDHC-OAHLLOKOSA-N 2 2 298.427 0.979 20 0 CCADLP CC(C)(CCC[NH3+])NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000566681085 291431238 /nfs/dbraw/zinc/43/12/38/291431238.db2.gz CSLFVKQOHDVESY-UHFFFAOYSA-N 2 2 288.355 0.910 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000626921215 368679631 /nfs/dbraw/zinc/67/96/31/368679631.db2.gz UUIANLCKZXKGNI-QWHCGFSZSA-N 2 2 298.431 0.537 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NC1(C[NH3+])CCOCC1 ZINC000627053124 368758477 /nfs/dbraw/zinc/75/84/77/368758477.db2.gz YAQIZMUEUHIGAQ-LLVKDONJSA-N 2 2 295.387 0.771 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)NCCc2cn(C)c[nH+]2)C[NH2+]1 ZINC000627057453 368760863 /nfs/dbraw/zinc/76/08/63/368760863.db2.gz ISEQQUYGFHOGAB-QWRGUYRKSA-N 2 2 265.361 0.402 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1[nH+]ccn1CC ZINC000627049336 368755257 /nfs/dbraw/zinc/75/52/57/368755257.db2.gz RKTNYUPRJVQTJI-WDEREUQCSA-N 2 2 265.361 0.843 20 0 CCADLP C[C@@H](NC(=O)NCCOCCC[NH3+])c1[nH+]ccn1C ZINC000627118330 368810477 /nfs/dbraw/zinc/81/04/77/368810477.db2.gz XYEAWDCCQIHJTO-SNVBAGLBSA-N 2 2 269.349 0.146 20 0 CCADLP CCCC[C@H](C[NH3+])NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627079494 368777258 /nfs/dbraw/zinc/77/72/58/368777258.db2.gz JBGLSRKTSXVSSW-VXGBXAGGSA-N 2 2 272.393 0.134 20 0 CCADLP CCCC[C@H](C[NH3+])NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627079494 368777265 /nfs/dbraw/zinc/77/72/65/368777265.db2.gz JBGLSRKTSXVSSW-VXGBXAGGSA-N 2 2 272.393 0.134 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000627184155 368852921 /nfs/dbraw/zinc/85/29/21/368852921.db2.gz RQWXJGGBCMJUGX-OLZOCXBDSA-N 2 2 284.404 0.087 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000627184155 368852925 /nfs/dbraw/zinc/85/29/25/368852925.db2.gz RQWXJGGBCMJUGX-OLZOCXBDSA-N 2 2 284.404 0.087 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCCF)CC1 ZINC000627958025 369145935 /nfs/dbraw/zinc/14/59/35/369145935.db2.gz BXBWYHDCMRGAOG-CYBMUJFWSA-N 2 2 271.380 0.975 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCCF)CC1 ZINC000627958025 369145941 /nfs/dbraw/zinc/14/59/41/369145941.db2.gz BXBWYHDCMRGAOG-CYBMUJFWSA-N 2 2 271.380 0.975 20 0 CCADLP CC[C@H]1CN(Cc2[nH]cc(C)[nH+]2)CC[N@@H+]1C[C@@H](C)O ZINC000628164995 369196989 /nfs/dbraw/zinc/19/69/89/369196989.db2.gz IXHZIMVAPNJDPJ-OLZOCXBDSA-N 2 2 266.389 0.995 20 0 CCADLP CC[C@H]1CN(Cc2[nH]cc(C)[nH+]2)CC[N@H+]1C[C@@H](C)O ZINC000628164995 369196993 /nfs/dbraw/zinc/19/69/93/369196993.db2.gz IXHZIMVAPNJDPJ-OLZOCXBDSA-N 2 2 266.389 0.995 20 0 CCADLP Cc1c[nH]c(CN2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)[nH+]1 ZINC000628314040 369239446 /nfs/dbraw/zinc/23/94/46/369239446.db2.gz KWVDHTXNMHVMDY-RYUDHWBXSA-N 2 2 252.362 0.605 20 0 CCADLP Cc1c[nH]c(CN2C[C@H](C)[N@H+](CCO)C[C@@H]2C)[nH+]1 ZINC000628314040 369239454 /nfs/dbraw/zinc/23/94/54/369239454.db2.gz KWVDHTXNMHVMDY-RYUDHWBXSA-N 2 2 252.362 0.605 20 0 CCADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CC[NH2+]CC1 ZINC000422701496 296139608 /nfs/dbraw/zinc/13/96/08/296139608.db2.gz IRUJTMHSCQZBAP-CYBMUJFWSA-N 2 2 267.373 0.062 20 0 CCADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CC[NH2+]CC1 ZINC000422701496 296139609 /nfs/dbraw/zinc/13/96/09/296139609.db2.gz IRUJTMHSCQZBAP-CYBMUJFWSA-N 2 2 267.373 0.062 20 0 CCADLP COC(=O)[C@](C)(O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000330823176 203280035 /nfs/dbraw/zinc/28/00/35/203280035.db2.gz GQPIIFSYZCCCKB-ZWNOBZJWSA-N 2 2 267.329 0.513 20 0 CCADLP COC(=O)[C@](C)(O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000330823176 203280039 /nfs/dbraw/zinc/28/00/39/203280039.db2.gz GQPIIFSYZCCCKB-ZWNOBZJWSA-N 2 2 267.329 0.513 20 0 CCADLP COc1ccc(C)cc1NC(=O)C[N@H+](C)CCOCC[NH3+] ZINC000629575974 369719370 /nfs/dbraw/zinc/71/93/70/369719370.db2.gz QSTHQBWWPBNECO-UHFFFAOYSA-N 2 2 295.383 0.849 20 0 CCADLP COc1ccc(C)cc1NC(=O)C[N@@H+](C)CCOCC[NH3+] ZINC000629575974 369719374 /nfs/dbraw/zinc/71/93/74/369719374.db2.gz QSTHQBWWPBNECO-UHFFFAOYSA-N 2 2 295.383 0.849 20 0 CCADLP C[N@H+](CCOCC[NH3+])[C@H](C(N)=O)c1ccc(F)cc1 ZINC000629578257 369720998 /nfs/dbraw/zinc/72/09/98/369720998.db2.gz ADAODBMJGBLRRE-LBPRGKRZSA-N 2 2 269.320 0.259 20 0 CCADLP C[N@@H+](CCOCC[NH3+])[C@H](C(N)=O)c1ccc(F)cc1 ZINC000629578257 369721005 /nfs/dbraw/zinc/72/10/05/369721005.db2.gz ADAODBMJGBLRRE-LBPRGKRZSA-N 2 2 269.320 0.259 20 0 CCADLP C[C@@H]([NH3+])[C@H]1C[N@H+](CCOC2CCOCC2)CCO1 ZINC000629512845 369687635 /nfs/dbraw/zinc/68/76/35/369687635.db2.gz IOBAHOVCDLKTSQ-DGCLKSJQSA-N 2 2 258.362 0.230 20 0 CCADLP C[C@@H]([NH3+])[C@H]1C[N@@H+](CCOC2CCOCC2)CCO1 ZINC000629512845 369687638 /nfs/dbraw/zinc/68/76/38/369687638.db2.gz IOBAHOVCDLKTSQ-DGCLKSJQSA-N 2 2 258.362 0.230 20 0 CCADLP C[C@@](C[NH3+])([NH2+]CCS(=O)(=O)c1ccccn1)C1CC1 ZINC000629515341 369688910 /nfs/dbraw/zinc/68/89/10/369688910.db2.gz RXCYIURBDZMULA-ZDUSSCGKSA-N 2 2 283.397 0.572 20 0 CCADLP CC[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccn(C)n1 ZINC000629523012 369690591 /nfs/dbraw/zinc/69/05/91/369690591.db2.gz DITXKCNCQQRYIS-LLVKDONJSA-N 2 2 252.362 0.969 20 0 CCADLP [NH3+]CCCOCC[NH2+][C@@H](c1cccs1)c1nnc[nH]1 ZINC000629538640 369696367 /nfs/dbraw/zinc/69/63/67/369696367.db2.gz NYEYOITYYYUTIH-NSHDSACASA-N 2 2 281.385 0.911 20 0 CCADLP CC[N@H+](CC[NH3+])CCc1nnnn1-c1ccccc1 ZINC000629556078 369705193 /nfs/dbraw/zinc/70/51/93/369705193.db2.gz CQVODOYOVICIFZ-UHFFFAOYSA-N 2 2 260.345 0.485 20 0 CCADLP CC[N@@H+](CC[NH3+])CCc1nnnn1-c1ccccc1 ZINC000629556078 369705199 /nfs/dbraw/zinc/70/51/99/369705199.db2.gz CQVODOYOVICIFZ-UHFFFAOYSA-N 2 2 260.345 0.485 20 0 CCADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCN1CC[C@H](O)C1 ZINC000629556818 369706370 /nfs/dbraw/zinc/70/63/70/369706370.db2.gz ZWTHRYZXFYZANK-BPUTZDHNSA-N 2 2 277.412 0.601 20 0 CCADLP CC(C)CC[C@@H](O)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000629606025 369738114 /nfs/dbraw/zinc/73/81/14/369738114.db2.gz LVSWUFXCWORMOV-KGLIPLIRSA-N 2 2 285.432 0.713 20 0 CCADLP CC(C)CC[C@@H](O)C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000629606025 369738118 /nfs/dbraw/zinc/73/81/18/369738118.db2.gz LVSWUFXCWORMOV-KGLIPLIRSA-N 2 2 285.432 0.713 20 0 CCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CC(=O)N1CCCCC1)C2 ZINC000629584835 369727917 /nfs/dbraw/zinc/72/79/17/369727917.db2.gz VGSISDJXMNVNOI-GASCZTMLSA-N 2 2 265.401 0.930 20 0 CCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CC(=O)N1CCCCC1)C2 ZINC000629584835 369727920 /nfs/dbraw/zinc/72/79/20/369727920.db2.gz VGSISDJXMNVNOI-GASCZTMLSA-N 2 2 265.401 0.930 20 0 CCADLP C[C@H]1C[N@H+](CCN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCO1 ZINC000629594051 369732429 /nfs/dbraw/zinc/73/24/29/369732429.db2.gz KELCWJDTZBVZEY-SOUVJXGZSA-N 2 2 267.417 0.639 20 0 CCADLP C[C@H]1C[N@@H+](CCN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCO1 ZINC000629594051 369732436 /nfs/dbraw/zinc/73/24/36/369732436.db2.gz KELCWJDTZBVZEY-SOUVJXGZSA-N 2 2 267.417 0.639 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)CC(F)(F)F ZINC000629605541 369736140 /nfs/dbraw/zinc/73/61/40/369736140.db2.gz JSNKEKBAGIJDQJ-UWVGGRQHSA-N 2 2 297.321 0.229 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)CC(F)(F)F ZINC000629605541 369736145 /nfs/dbraw/zinc/73/61/45/369736145.db2.gz JSNKEKBAGIJDQJ-UWVGGRQHSA-N 2 2 297.321 0.229 20 0 CCADLP CC(C)(C)c1nc(NC[C@H]2COCC[NH2+]2)cc[nH+]1 ZINC000630533728 370154179 /nfs/dbraw/zinc/15/41/79/370154179.db2.gz WVGUCQCNNHIOJG-JTQLQIEISA-N 2 2 250.346 0.596 20 0 CCADLP Cc1nc(NC[C@@H]2COCC[NH2+]2)c2c([nH+]1)CCCC2 ZINC000630534810 370155292 /nfs/dbraw/zinc/15/52/92/370155292.db2.gz NBLVNKJRYZJZQJ-LLVKDONJSA-N 2 2 262.357 0.486 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)NCC(F)(F)F ZINC000424296042 296155299 /nfs/dbraw/zinc/15/52/99/296155299.db2.gz RYSBRBQYYGSQSJ-IWSPIJDZSA-N 2 2 267.295 0.913 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000630746620 370256107 /nfs/dbraw/zinc/25/61/07/370256107.db2.gz DQBPVCRMTIUDRE-GFCCVEGCSA-N 2 2 290.371 0.460 20 0 CCADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCCCn1cc[nH+]c1 ZINC000631000922 370356295 /nfs/dbraw/zinc/35/62/95/370356295.db2.gz JLFJPWXLWROMRO-WDEREUQCSA-N 2 2 251.334 0.404 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631002220 370356531 /nfs/dbraw/zinc/35/65/31/370356531.db2.gz WIFQEZVADZUKEA-UTUOFQBUSA-N 2 2 263.345 0.417 20 0 CCADLP Cc1nc(N2CCC(C[NH+]3CCOCC3)CC2)nc(N)[nH+]1 ZINC000631062495 370372487 /nfs/dbraw/zinc/37/24/87/370372487.db2.gz OCLROTGOMGKOHX-UHFFFAOYSA-N 2 2 292.387 0.141 20 0 CCADLP Cc1nc(N)nc(N2CCC(C[NH+]3CCOCC3)CC2)[nH+]1 ZINC000631062495 370372493 /nfs/dbraw/zinc/37/24/93/370372493.db2.gz OCLROTGOMGKOHX-UHFFFAOYSA-N 2 2 292.387 0.141 20 0 CCADLP Cc1nc(NCC[N@H+]2CCCC[C@@H]2C)nc(N)[nH+]1 ZINC000631061654 370372543 /nfs/dbraw/zinc/37/25/43/370372543.db2.gz YYZZKPIFUOSPCE-VIFPVBQESA-N 2 2 250.350 0.301 20 0 CCADLP Cc1nc(NCC[N@@H+]2CCCC[C@@H]2C)nc(N)[nH+]1 ZINC000631061654 370372549 /nfs/dbraw/zinc/37/25/49/370372549.db2.gz YYZZKPIFUOSPCE-VIFPVBQESA-N 2 2 250.350 0.301 20 0 CCADLP Cc1cc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)on1 ZINC000631064551 370372864 /nfs/dbraw/zinc/37/28/64/370372864.db2.gz PEJRVFZVKQMNFP-GFCCVEGCSA-N 2 2 280.372 0.660 20 0 CCADLP Cc1cc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)on1 ZINC000631064551 370372869 /nfs/dbraw/zinc/37/28/69/370372869.db2.gz PEJRVFZVKQMNFP-GFCCVEGCSA-N 2 2 280.372 0.660 20 0 CCADLP COc1cncc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)c1C ZINC000631069987 370375338 /nfs/dbraw/zinc/37/53/38/370375338.db2.gz ZNXGHBMJGGYUAK-AWEZNQCLSA-N 2 2 278.400 0.734 20 0 CCADLP COc1cncc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)c1C ZINC000631069987 370375342 /nfs/dbraw/zinc/37/53/42/370375342.db2.gz ZNXGHBMJGGYUAK-AWEZNQCLSA-N 2 2 278.400 0.734 20 0 CCADLP Cc1nc(N(C)CC[C@H]2CCCC[N@@H+]2C)nc(N)[nH+]1 ZINC000631132827 370394121 /nfs/dbraw/zinc/39/41/21/370394121.db2.gz OXYKOFPDHURSSB-LLVKDONJSA-N 2 2 264.377 0.903 20 0 CCADLP Cc1nc(N(C)CC[C@H]2CCCC[N@H+]2C)nc(N)[nH+]1 ZINC000631132827 370394125 /nfs/dbraw/zinc/39/41/25/370394125.db2.gz OXYKOFPDHURSSB-LLVKDONJSA-N 2 2 264.377 0.903 20 0 CCADLP Cc1nc(N)nc(N(C)CC[C@H]2CCCC[N@@H+]2C)[nH+]1 ZINC000631132827 370394129 /nfs/dbraw/zinc/39/41/29/370394129.db2.gz OXYKOFPDHURSSB-LLVKDONJSA-N 2 2 264.377 0.903 20 0 CCADLP Cc1nc(N)nc(N(C)CC[C@H]2CCCC[N@H+]2C)[nH+]1 ZINC000631132827 370394133 /nfs/dbraw/zinc/39/41/33/370394133.db2.gz OXYKOFPDHURSSB-LLVKDONJSA-N 2 2 264.377 0.903 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631180785 370413891 /nfs/dbraw/zinc/41/38/91/370413891.db2.gz HERYTVVZAYEGIZ-LBPRGKRZSA-N 2 2 278.356 0.217 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631180785 370413892 /nfs/dbraw/zinc/41/38/92/370413892.db2.gz HERYTVVZAYEGIZ-LBPRGKRZSA-N 2 2 278.356 0.217 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3CSC3)C2)CC1 ZINC000631258832 370442411 /nfs/dbraw/zinc/44/24/11/370442411.db2.gz YZAHFHIBDBZIRD-LBPRGKRZSA-N 2 2 283.441 0.634 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3CSC3)C2)CC1 ZINC000631258832 370442416 /nfs/dbraw/zinc/44/24/16/370442416.db2.gz YZAHFHIBDBZIRD-LBPRGKRZSA-N 2 2 283.441 0.634 20 0 CCADLP CN(C(=O)CCCCO)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000631246411 370436500 /nfs/dbraw/zinc/43/65/00/370436500.db2.gz BZWYQEUQPXCVGW-HNNXBMFYSA-N 2 2 297.443 0.776 20 0 CCADLP CN(C(=O)CCCCO)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000631246411 370436505 /nfs/dbraw/zinc/43/65/05/370436505.db2.gz BZWYQEUQPXCVGW-HNNXBMFYSA-N 2 2 297.443 0.776 20 0 CCADLP Cc1nc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nc(N)[nH+]1 ZINC000631252243 370438597 /nfs/dbraw/zinc/43/85/97/370438597.db2.gz YPVFGOKYZHBCHW-AOOOYVTPSA-N 2 2 280.376 0.138 20 0 CCADLP Cc1nc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nc(N)[nH+]1 ZINC000631252243 370438602 /nfs/dbraw/zinc/43/86/02/370438602.db2.gz YPVFGOKYZHBCHW-AOOOYVTPSA-N 2 2 280.376 0.138 20 0 CCADLP Cc1nc(N2CC([NH+]3CCCC3)C2)nc(N(C)C)[nH+]1 ZINC000631353564 370490328 /nfs/dbraw/zinc/49/03/28/370490328.db2.gz NQKJWIPPAUZQPB-UHFFFAOYSA-N 2 2 262.361 0.530 20 0 CCADLP C[NH+](C)CCCS(=O)(=O)NCc1cn2ccccc2[nH+]1 ZINC000631666398 370629911 /nfs/dbraw/zinc/62/99/11/370629911.db2.gz YJVXCPGIKIJOHO-UHFFFAOYSA-N 2 2 296.396 0.705 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)C2CSC2)CC1 ZINC000631624809 370614851 /nfs/dbraw/zinc/61/48/51/370614851.db2.gz IKVYWWNEKOXDGJ-UHFFFAOYSA-N 2 2 271.430 0.492 20 0 CCADLP COc1cc[nH+]cc1CNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632362546 371007095 /nfs/dbraw/zinc/00/70/95/371007095.db2.gz JRDCLKBYQITFME-UHFFFAOYSA-N 2 2 299.396 0.604 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000633083589 371389750 /nfs/dbraw/zinc/38/97/50/371389750.db2.gz VJAOXQZHTOMFOE-JTQLQIEISA-N 2 2 251.334 0.645 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000633083589 371389754 /nfs/dbraw/zinc/38/97/54/371389754.db2.gz VJAOXQZHTOMFOE-JTQLQIEISA-N 2 2 251.334 0.645 20 0 CCADLP Cc1nc(CN2CC[NH+](CCn3cc[nH+]c3C)CC2)no1 ZINC000332015027 204391123 /nfs/dbraw/zinc/39/11/23/204391123.db2.gz XDYZCTIYVIBZTJ-UHFFFAOYSA-N 2 2 290.371 0.701 20 0 CCADLP C[C@H](CC(=O)NC[C@@H](O)C[NH+]1CCCCC1)n1cc[nH+]c1 ZINC000633480737 371566615 /nfs/dbraw/zinc/56/66/15/371566615.db2.gz CAMGPLVXFZBYOP-ZIAGYGMSSA-N 2 2 294.399 0.797 20 0 CCADLP Cc1nocc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000633619841 371635719 /nfs/dbraw/zinc/63/57/19/371635719.db2.gz XSYVLUWRUIHMFU-UHFFFAOYSA-N 2 2 268.361 0.596 20 0 CCADLP Cc1nocc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000633619841 371635724 /nfs/dbraw/zinc/63/57/24/371635724.db2.gz XSYVLUWRUIHMFU-UHFFFAOYSA-N 2 2 268.361 0.596 20 0 CCADLP Cc1[nH]c2ccc(-n3cc(C[C@@H]([NH3+])CO)nn3)cc2[nH+]1 ZINC000656439449 412792675 /nfs/dbraw/zinc/79/26/75/412792675.db2.gz PFVBPWSQTRNUSA-SECBINFHSA-N 2 2 272.312 0.314 20 0 CCADLP Cc1[nH]c2cc(-n3cc(C[C@@H]([NH3+])CO)nn3)ccc2[nH+]1 ZINC000656439449 412792679 /nfs/dbraw/zinc/79/26/79/412792679.db2.gz PFVBPWSQTRNUSA-SECBINFHSA-N 2 2 272.312 0.314 20 0 CCADLP CC(C)COCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000337321304 214003050 /nfs/dbraw/zinc/00/30/50/214003050.db2.gz CAWKWCMJZRBEAH-UHFFFAOYSA-N 2 2 271.405 0.365 20 0 CCADLP Cc1[nH]c2ccc(-n3cc(CC[C@@H](O)C[NH3+])nn3)cc2[nH+]1 ZINC000656439144 412793299 /nfs/dbraw/zinc/79/32/99/412793299.db2.gz KMQRXVPCWXIPSH-GFCCVEGCSA-N 2 2 286.339 0.704 20 0 CCADLP Cc1[nH]c2cc(-n3cc(CC[C@@H](O)C[NH3+])nn3)ccc2[nH+]1 ZINC000656439144 412793304 /nfs/dbraw/zinc/79/33/04/412793304.db2.gz KMQRXVPCWXIPSH-GFCCVEGCSA-N 2 2 286.339 0.704 20 0 CCADLP CCOCC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634197010 371944658 /nfs/dbraw/zinc/94/46/58/371944658.db2.gz CVAHFHPUJVQHIK-UHFFFAOYSA-N 2 2 278.356 0.808 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+](CCc2cnccn2)CC1)[NH+](C)C ZINC000634510968 372066774 /nfs/dbraw/zinc/06/67/74/372066774.db2.gz VNDDJAPNNIJMPA-ZDUSSCGKSA-N 2 2 291.399 0.113 20 0 CCADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)CC2(O)CCOCC2)C1 ZINC000634722290 372168799 /nfs/dbraw/zinc/16/87/99/372168799.db2.gz MWTFYQCGFGBEOZ-KGLIPLIRSA-N 2 2 286.416 0.353 20 0 CCADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)CC2(O)CCOCC2)C1 ZINC000634722290 372168803 /nfs/dbraw/zinc/16/88/03/372168803.db2.gz MWTFYQCGFGBEOZ-KGLIPLIRSA-N 2 2 286.416 0.353 20 0 CCADLP CC1(O)CCN(c2cc(NC3CC[NH2+]CC3)[nH+]cn2)CC1 ZINC000634807328 372247196 /nfs/dbraw/zinc/24/71/96/372247196.db2.gz HHOHQTKOEWTENC-UHFFFAOYSA-N 2 2 291.399 0.992 20 0 CCADLP CC1(O)CCN(c2cc(NC3CC[NH2+]CC3)nc[nH+]2)CC1 ZINC000634807328 372247203 /nfs/dbraw/zinc/24/72/03/372247203.db2.gz HHOHQTKOEWTENC-UHFFFAOYSA-N 2 2 291.399 0.992 20 0 CCADLP C[C@H]1C[C@@H](Nc2cc(N3CCOCC3)nc[nH+]2)CC[NH2+]1 ZINC000634808633 372249882 /nfs/dbraw/zinc/24/98/82/372249882.db2.gz YDKYGPCEYPODAB-RYUDHWBXSA-N 2 2 277.372 0.866 20 0 CCADLP C[C@H]1C[C@@H](Nc2cc(N3CCOCC3)[nH+]cn2)CC[NH2+]1 ZINC000634808633 372249891 /nfs/dbraw/zinc/24/98/91/372249891.db2.gz YDKYGPCEYPODAB-RYUDHWBXSA-N 2 2 277.372 0.866 20 0 CCADLP c1nc(N2CC[C@H]3CC[NH2+][C@H]3C2)c2c([nH+]1)NCCO2 ZINC000634808114 372250125 /nfs/dbraw/zinc/25/01/25/372250125.db2.gz JPCWXTZVLGPLTA-ZJUUUORDSA-N 2 2 261.329 0.469 20 0 CCADLP Cn1ncc2c1nc(N)[nH+]c2N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000634812884 372256751 /nfs/dbraw/zinc/25/67/51/372256751.db2.gz SYNBQSYOLSWYCC-KOLCDFICSA-N 2 2 287.371 0.354 20 0 CCADLP O=C1CC[C@H]([NH2+]C[C@H]2CCCC[N@H+]2CCO)CCN1 ZINC000634982422 372322299 /nfs/dbraw/zinc/32/22/99/372322299.db2.gz LHCAZLAXHJITMQ-QWHCGFSZSA-N 2 2 269.389 0.092 20 0 CCADLP O=C1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2CCO)CCN1 ZINC000634982422 372322311 /nfs/dbraw/zinc/32/23/11/372322311.db2.gz LHCAZLAXHJITMQ-QWHCGFSZSA-N 2 2 269.389 0.092 20 0 CCADLP CC[C@@H](C)NC(=O)C[NH+]1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634991717 372325059 /nfs/dbraw/zinc/32/50/59/372325059.db2.gz PEUPEJCMEDYDOQ-VQCLRJIVSA-N 2 2 294.443 0.271 20 0 CCADLP C([N@@H+]1CCOCC2(CCOCC2)C1)C12CC(C1)C[NH2+]2 ZINC000634993454 372329040 /nfs/dbraw/zinc/32/90/40/372329040.db2.gz VJJRMJSMKMMCQW-UHFFFAOYSA-N 2 2 266.385 0.867 20 0 CCADLP C([N@H+]1CCOCC2(CCOCC2)C1)C12CC(C1)C[NH2+]2 ZINC000634993454 372329046 /nfs/dbraw/zinc/32/90/46/372329046.db2.gz VJJRMJSMKMMCQW-UHFFFAOYSA-N 2 2 266.385 0.867 20 0 CCADLP Cc1cc(N2CC[C@H]([NH2+]CC34CC(C3)C[NH2+]4)C2=O)n(C)n1 ZINC000634996120 372332477 /nfs/dbraw/zinc/33/24/77/372332477.db2.gz ZUFPFJNUUSBACU-AVERBVTBSA-N 2 2 289.383 0.175 20 0 CCADLP c1cnc(N[C@@H]2CC[N@@H+](CC34CC(C3)C[NH2+]4)C2)nc1 ZINC000634996404 372333403 /nfs/dbraw/zinc/33/34/03/372333403.db2.gz IULZSROSDFPYBX-MBHSVXNSSA-N 2 2 259.357 0.715 20 0 CCADLP c1cnc(N[C@@H]2CC[N@H+](CC34CC(C3)C[NH2+]4)C2)nc1 ZINC000634996404 372333408 /nfs/dbraw/zinc/33/34/08/372333408.db2.gz IULZSROSDFPYBX-MBHSVXNSSA-N 2 2 259.357 0.715 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3C[C@@H](O)C3)C2)CC1 ZINC000635552227 372618309 /nfs/dbraw/zinc/61/83/09/372618309.db2.gz RZLFJCOBCRFRGA-BZPMIXESSA-N 2 2 281.400 0.042 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3C[C@@H](O)C3)C2)CC1 ZINC000635552227 372618311 /nfs/dbraw/zinc/61/83/11/372618311.db2.gz RZLFJCOBCRFRGA-BZPMIXESSA-N 2 2 281.400 0.042 20 0 CCADLP CCc1c[nH]c(CC(=O)NCC2([NH+](C)C)CCOCC2)[nH+]1 ZINC000635564662 372638281 /nfs/dbraw/zinc/63/82/81/372638281.db2.gz GKXHXTMRMZIKHQ-UHFFFAOYSA-N 2 2 294.399 0.742 20 0 CCADLP C[C@@H](O)CNc1cc(N[C@H](C)C[NH+]2CCOCC2)nc[nH+]1 ZINC000294391210 296189413 /nfs/dbraw/zinc/18/94/13/296189413.db2.gz MUBZNKNZYCPOEY-VXGBXAGGSA-N 2 2 295.387 0.402 20 0 CCADLP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCc1cn(C)c[nH+]1 ZINC000333259230 205161496 /nfs/dbraw/zinc/16/14/96/205161496.db2.gz CGPCBTFJTOYULJ-OCCSQVGLSA-N 2 2 291.399 0.841 20 0 CCADLP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCc1cn(C)c[nH+]1 ZINC000333259230 205161498 /nfs/dbraw/zinc/16/14/98/205161498.db2.gz CGPCBTFJTOYULJ-OCCSQVGLSA-N 2 2 291.399 0.841 20 0 CCADLP O=C(NCC[NH+]1CCSCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000333310897 205208609 /nfs/dbraw/zinc/20/86/09/205208609.db2.gz NZDKCICNRRIVCY-GFCCVEGCSA-N 2 2 294.424 0.611 20 0 CCADLP C[C@@H](CC(=O)N[C@H]1CC[NH2+]C[C@H]1C)n1cc[nH+]c1 ZINC000568153372 291556885 /nfs/dbraw/zinc/55/68/85/291556885.db2.gz CLMHIUUHYCMZGP-WOPDTQHZSA-N 2 2 250.346 0.948 20 0 CCADLP CC(C)C[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](C)C1)n1cc[nH+]c1 ZINC000635802923 372931197 /nfs/dbraw/zinc/93/11/97/372931197.db2.gz XJCPETFDRVIKGX-ZFWWWQNUSA-N 2 2 294.399 0.653 20 0 CCADLP CC(C)C[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](C)C1)n1cc[nH+]c1 ZINC000635802923 372931205 /nfs/dbraw/zinc/93/12/05/372931205.db2.gz XJCPETFDRVIKGX-ZFWWWQNUSA-N 2 2 294.399 0.653 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000635822814 372959896 /nfs/dbraw/zinc/95/98/96/372959896.db2.gz ZBOGOOQTMOHTHP-UHFFFAOYSA-N 2 2 283.416 0.554 20 0 CCADLP Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)[C@@H](C)[NH+](C)C)C2 ZINC000635914987 373100216 /nfs/dbraw/zinc/10/02/16/373100216.db2.gz RRFWNPIRRSSWEJ-PWSUYJOCSA-N 2 2 294.399 0.107 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000636027304 373270153 /nfs/dbraw/zinc/27/01/53/373270153.db2.gz XXMLAAVANXEISQ-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000636027304 373270156 /nfs/dbraw/zinc/27/01/56/373270156.db2.gz XXMLAAVANXEISQ-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000636047321 373293606 /nfs/dbraw/zinc/29/36/06/373293606.db2.gz OBMXKAXKVDZVES-AWEZNQCLSA-N 2 2 294.399 0.626 20 0 CCADLP C[C@@H](CC(=O)NC[C@H](O)C[NH+]1CCCCC1)n1cc[nH+]c1 ZINC000636048095 373293966 /nfs/dbraw/zinc/29/39/66/373293966.db2.gz CAMGPLVXFZBYOP-KBPBESRZSA-N 2 2 294.399 0.797 20 0 CCADLP COCC[N@H+](C)Cc1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000656468776 412808773 /nfs/dbraw/zinc/80/87/73/412808773.db2.gz SFGPUEXJLIJJBM-LBPRGKRZSA-N 2 2 253.350 0.281 20 0 CCADLP COCC[N@@H+](C)Cc1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000656468776 412808778 /nfs/dbraw/zinc/80/87/78/412808778.db2.gz SFGPUEXJLIJJBM-LBPRGKRZSA-N 2 2 253.350 0.281 20 0 CCADLP C[NH+](C)[C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCOCC2)C1(C)C ZINC000636091025 373349072 /nfs/dbraw/zinc/34/90/72/373349072.db2.gz JWOVXWKLSQREQW-QWHCGFSZSA-N 2 2 297.443 0.942 20 0 CCADLP Cc1nc[nH]c1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000636171264 373426346 /nfs/dbraw/zinc/42/63/46/373426346.db2.gz GYOMCKXLPAGESA-UHFFFAOYSA-N 2 2 267.377 0.331 20 0 CCADLP Cc1nc[nH]c1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000636171264 373426356 /nfs/dbraw/zinc/42/63/56/373426356.db2.gz GYOMCKXLPAGESA-UHFFFAOYSA-N 2 2 267.377 0.331 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)CO1 ZINC000636172003 373427748 /nfs/dbraw/zinc/42/77/48/373427748.db2.gz SGJHVWMWMZILDE-CHWSQXEVSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)CO1 ZINC000636172003 373427751 /nfs/dbraw/zinc/42/77/51/373427751.db2.gz SGJHVWMWMZILDE-CHWSQXEVSA-N 2 2 283.416 0.554 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)[C@@H](C)[NH+](C)C)C(C)(C)C1 ZINC000636129185 373387425 /nfs/dbraw/zinc/38/74/25/373387425.db2.gz POOWRIUAINKQAS-GFCCVEGCSA-N 2 2 271.405 0.506 20 0 CCADLP COCC[N@H+]1CCN(C(=O)[C@@H](C)[NH+](C)C)C(C)(C)C1 ZINC000636129185 373387430 /nfs/dbraw/zinc/38/74/30/373387430.db2.gz POOWRIUAINKQAS-GFCCVEGCSA-N 2 2 271.405 0.506 20 0 CCADLP CC[NH+]1CCC(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1 ZINC000636475832 373615431 /nfs/dbraw/zinc/61/54/31/373615431.db2.gz CZLLCGRWJYGHPT-LBPRGKRZSA-N 2 2 277.372 0.591 20 0 CCADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000637254770 374050104 /nfs/dbraw/zinc/05/01/04/374050104.db2.gz AOYLZFVIRNNFLH-UTUOFQBUSA-N 2 2 277.372 0.447 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000637263258 374058491 /nfs/dbraw/zinc/05/84/91/374058491.db2.gz SKMHBJHLJQXBHV-NWDGAFQWSA-N 2 2 291.399 0.980 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@H](NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000637263258 374058497 /nfs/dbraw/zinc/05/84/97/374058497.db2.gz SKMHBJHLJQXBHV-NWDGAFQWSA-N 2 2 291.399 0.980 20 0 CCADLP C[NH+](C)[C@H]1CCCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000637441633 374160393 /nfs/dbraw/zinc/16/03/93/374160393.db2.gz APXRQNSVCXTOSV-QWHCGFSZSA-N 2 2 284.404 0.053 20 0 CCADLP C[NH+](C)[C@H]1CCCN(C(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000637441633 374160398 /nfs/dbraw/zinc/16/03/98/374160398.db2.gz APXRQNSVCXTOSV-QWHCGFSZSA-N 2 2 284.404 0.053 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@H]1COCC[NH+]1C)CC2 ZINC000637447775 374172820 /nfs/dbraw/zinc/17/28/20/374172820.db2.gz QWMVZPAHAWFSRR-RDBSUJKOSA-N 2 2 296.415 0.195 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@H]1COCC[NH+]1C)CC2 ZINC000637447775 374172827 /nfs/dbraw/zinc/17/28/27/374172827.db2.gz QWMVZPAHAWFSRR-RDBSUJKOSA-N 2 2 296.415 0.195 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@H]1COCC[N@@H+]1C)CC2 ZINC000637447775 374172836 /nfs/dbraw/zinc/17/28/36/374172836.db2.gz QWMVZPAHAWFSRR-RDBSUJKOSA-N 2 2 296.415 0.195 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@H]1COCC[N@H+]1C)CC2 ZINC000637447775 374172840 /nfs/dbraw/zinc/17/28/40/374172840.db2.gz QWMVZPAHAWFSRR-RDBSUJKOSA-N 2 2 296.415 0.195 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@H]1CCC[NH2+]C1)CC2 ZINC000637806309 374336439 /nfs/dbraw/zinc/33/64/39/374336439.db2.gz WQJXHTKXZWKJKZ-RYUDHWBXSA-N 2 2 262.357 0.622 20 0 CCADLP C[NH2+]Cc1ccccc1NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637808327 374339760 /nfs/dbraw/zinc/33/97/60/374339760.db2.gz ZUYJOVURGJMONY-NSHDSACASA-N 2 2 290.367 0.165 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[NH2+]CC1(C)C)CC2 ZINC000637858156 374416697 /nfs/dbraw/zinc/41/66/97/374416697.db2.gz ZOWMFQSSHUQKPS-GFCCVEGCSA-N 2 2 276.384 0.964 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)CC1C[NH+](C)C1 ZINC000656547667 412822632 /nfs/dbraw/zinc/82/26/32/412822632.db2.gz JSPVAPYSJIUKOQ-NSHDSACASA-N 2 2 265.361 0.475 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)NCCn1cc[nH+]c1 ZINC000656548505 412823750 /nfs/dbraw/zinc/82/37/50/412823750.db2.gz USKZCZOIQQCFFX-UHFFFAOYSA-N 2 2 251.334 0.086 20 0 CCADLP COC[C@]1(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)CCCC[NH2+]1 ZINC000638077649 374632993 /nfs/dbraw/zinc/63/29/93/374632993.db2.gz WYFOTJOUNVDJNL-HIFRSBDPSA-N 2 2 294.399 0.794 20 0 CCADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000638077968 374635144 /nfs/dbraw/zinc/63/51/44/374635144.db2.gz ZMEYAEZSCZWGDO-SLEUVZQESA-N 2 2 292.383 0.883 20 0 CCADLP C[C@]1(C(=O)NCCc2cn3c([nH+]2)CCCC3)C[NH2+]CCO1 ZINC000638072388 374624880 /nfs/dbraw/zinc/62/48/80/374624880.db2.gz RIPJVWFUMYVMMP-OAHLLOKOSA-N 2 2 292.383 0.257 20 0 CCADLP CC(C)CC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000638091002 374653709 /nfs/dbraw/zinc/65/37/09/374653709.db2.gz NQMWVZQNPNJKKK-CYBMUJFWSA-N 2 2 285.432 0.977 20 0 CCADLP CC(C)CC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000638091002 374653717 /nfs/dbraw/zinc/65/37/17/374653717.db2.gz NQMWVZQNPNJKKK-CYBMUJFWSA-N 2 2 285.432 0.977 20 0 CCADLP Cc1cccn2cc(CNC(=O)[C@@H]3OCC[C@@H]3[NH3+])[nH+]c12 ZINC000638110904 374678830 /nfs/dbraw/zinc/67/88/30/374678830.db2.gz AMFMZZJGKPMWAL-NWDGAFQWSA-N 2 2 274.324 0.375 20 0 CCADLP [NH3+][C@H]1CC=C(C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000638119056 374687036 /nfs/dbraw/zinc/68/70/36/374687036.db2.gz HRNLECCATYYSJX-LBPRGKRZSA-N 2 2 256.309 0.998 20 0 CCADLP CC[NH+](CC)C[C@@H]1CCN(Cc2c[nH+]c(N)nc2N)C1 ZINC000638120776 374688604 /nfs/dbraw/zinc/68/86/04/374688604.db2.gz CGRQBPWASIHJKF-NSHDSACASA-N 2 2 278.404 0.465 20 0 CCADLP Nc1nc(N)c(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c[nH+]1 ZINC000638125830 374695118 /nfs/dbraw/zinc/69/51/18/374695118.db2.gz ZPTDAFZVBFAIJK-LBPRGKRZSA-N 2 2 290.415 0.610 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)[nH+]1 ZINC000638226266 374813220 /nfs/dbraw/zinc/81/32/20/374813220.db2.gz HKFROHYXNKZTTC-RYUDHWBXSA-N 2 2 278.356 0.104 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@@H]2CC[NH2+]C2(C)C)[nH+]1 ZINC000638271577 374873818 /nfs/dbraw/zinc/87/38/18/374873818.db2.gz XRQUOUXAJJQLFF-SNVBAGLBSA-N 2 2 250.346 0.771 20 0 CCADLP Cc1nc(N2CCN(C(=O)C[C@H](C)[NH3+])CC2)cc[nH+]1 ZINC000638284507 374891890 /nfs/dbraw/zinc/89/18/90/374891890.db2.gz AWUZNQITFHYUBT-JTQLQIEISA-N 2 2 263.345 0.171 20 0 CCADLP CO[C@@H](C[NH2+]CCC[NH+]1CCOCC1)[C@H]1CCOC1 ZINC000638286324 374895793 /nfs/dbraw/zinc/89/57/93/374895793.db2.gz MNMGHSJPYRYHGT-KBPBESRZSA-N 2 2 272.389 0.350 20 0 CCADLP C[C@@]1(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C[NH2+]CCO1 ZINC000638289617 374896632 /nfs/dbraw/zinc/89/66/32/374896632.db2.gz LKCADMVAFIFBAT-WFASDCNBSA-N 2 2 290.367 0.155 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)[nH+]1 ZINC000638240968 374833962 /nfs/dbraw/zinc/83/39/62/374833962.db2.gz NXAZJMZYDVGMBL-ZDUSSCGKSA-N 2 2 291.399 0.021 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@@H]2CC23CC[NH2+]CC3)[nH+]1 ZINC000638246208 374839210 /nfs/dbraw/zinc/83/92/10/374839210.db2.gz SFOUBNDTSJNJIJ-LLVKDONJSA-N 2 2 262.357 0.773 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H](C)[C@@H](C)[NH3+])CC2 ZINC000638254014 374849920 /nfs/dbraw/zinc/84/99/20/374849920.db2.gz DYTPEOXOASMSHB-OUAUKWLOSA-N 2 2 250.346 0.606 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@H](CC[NH3+])C(F)F)CC2 ZINC000638256844 374852458 /nfs/dbraw/zinc/85/24/58/374852458.db2.gz UKPOCRWGYLEBPZ-UWVGGRQHSA-N 2 2 286.326 0.853 20 0 CCADLP [NH3+][C@@H]1CC=C(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000638290655 374900397 /nfs/dbraw/zinc/90/03/97/374900397.db2.gz UBOAZVRMQJZROX-OLZOCXBDSA-N 2 2 272.352 0.824 20 0 CCADLP Cn1nnc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000568631023 291610184 /nfs/dbraw/zinc/61/01/84/291610184.db2.gz YNKPBZUNWOYAJH-LLVKDONJSA-N 2 2 250.350 0.032 20 0 CCADLP CC[NH2+][C@H](C)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000638406277 375002449 /nfs/dbraw/zinc/00/24/49/375002449.db2.gz KDNBGGNUNXAIEJ-IJLUTSLNSA-N 2 2 257.378 0.210 20 0 CCADLP CC[NH2+][C@H](C)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000638406277 375002455 /nfs/dbraw/zinc/00/24/55/375002455.db2.gz KDNBGGNUNXAIEJ-IJLUTSLNSA-N 2 2 257.378 0.210 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000638407461 375005514 /nfs/dbraw/zinc/00/55/14/375005514.db2.gz ACNJCSHPAWSFCY-NEPJUHHUSA-N 2 2 295.383 0.886 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000638407461 375005518 /nfs/dbraw/zinc/00/55/18/375005518.db2.gz ACNJCSHPAWSFCY-NEPJUHHUSA-N 2 2 295.383 0.886 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638424540 375021550 /nfs/dbraw/zinc/02/15/50/375021550.db2.gz AQMLRAOFTOZNKV-SMDDNHRTSA-N 2 2 280.372 0.836 20 0 CCADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@@H](C)c2[nH+]ccn2C)C1 ZINC000638432241 375032170 /nfs/dbraw/zinc/03/21/70/375032170.db2.gz YLRNCFKRASJRPE-OUJBWJOFSA-N 2 2 266.345 0.364 20 0 CCADLP CC[C@H](C)[N@H+](C)CCNCc1c[nH+]c(N)nc1N ZINC000638503360 375093873 /nfs/dbraw/zinc/09/38/73/375093873.db2.gz HSKSUOSDWJRSPQ-VIFPVBQESA-N 2 2 252.366 0.122 20 0 CCADLP CC[C@H](C)[N@@H+](C)CCNCc1c[nH+]c(N)nc1N ZINC000638503360 375093876 /nfs/dbraw/zinc/09/38/76/375093876.db2.gz HSKSUOSDWJRSPQ-VIFPVBQESA-N 2 2 252.366 0.122 20 0 CCADLP CCN(CC[NH3+])C(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000638513844 375104355 /nfs/dbraw/zinc/10/43/55/375104355.db2.gz WLKYDNJHSXFMNN-NSHDSACASA-N 2 2 250.346 0.561 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cccc2c1OCC2 ZINC000638514101 375104971 /nfs/dbraw/zinc/10/49/71/375104971.db2.gz QHLGZECOYLJCIW-LLVKDONJSA-N 2 2 263.341 0.839 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000638441103 375045097 /nfs/dbraw/zinc/04/50/97/375045097.db2.gz ZNEBZZIHTHIOQF-CLLJXQQHSA-N 2 2 251.374 0.396 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCCc2cccc(C[NH3+])c21 ZINC000638543169 375133147 /nfs/dbraw/zinc/13/31/47/375133147.db2.gz SSMHFNIVWVJGJH-CQSZACIVSA-N 3 2 290.411 0.704 20 0 CCADLP C[NH2+]CCOCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000638576386 375154787 /nfs/dbraw/zinc/15/47/87/375154787.db2.gz ZPAYAYUDYGKCIE-UHFFFAOYSA-N 2 2 276.340 0.609 20 0 CCADLP Cc1cc(NCCNC(=O)C2([NH3+])CCC2)nc(C(C)C)[nH+]1 ZINC000638583952 375164773 /nfs/dbraw/zinc/16/47/73/375164773.db2.gz OWMYHDUAVVCCTO-UHFFFAOYSA-N 2 2 291.399 0.740 20 0 CCADLP CO[C@H](C[NH2+]C[C@@H]1C[N@H+](C)CCN1C)C1CCOCC1 ZINC000638596277 375177110 /nfs/dbraw/zinc/17/71/10/375177110.db2.gz IBNNGVZYBONDIK-HUUCEWRRSA-N 2 2 285.432 0.263 20 0 CCADLP CO[C@H](C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C)C1CCOCC1 ZINC000638596277 375177116 /nfs/dbraw/zinc/17/71/16/375177116.db2.gz IBNNGVZYBONDIK-HUUCEWRRSA-N 2 2 285.432 0.263 20 0 CCADLP C[C@H]1CC(F)(F)CCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000638630910 375235178 /nfs/dbraw/zinc/23/51/78/375235178.db2.gz OVBJNTXCPHVYHW-VHSXEESVSA-N 2 2 263.332 0.912 20 0 CCADLP COCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C[C@@H]2CCCC(=O)N2)C1 ZINC000638638107 375240694 /nfs/dbraw/zinc/24/06/94/375240694.db2.gz ZOSAXRLDRWTSNA-IHRRRGAJSA-N 2 2 283.416 0.744 20 0 CCADLP COCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C[C@@H]2CCCC(=O)N2)C1 ZINC000638638107 375240698 /nfs/dbraw/zinc/24/06/98/375240698.db2.gz ZOSAXRLDRWTSNA-IHRRRGAJSA-N 2 2 283.416 0.744 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000638609685 375189154 /nfs/dbraw/zinc/18/91/54/375189154.db2.gz GKWTXWTWRMPVOF-GJZGRUSLSA-N 2 2 291.395 0.913 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000638609685 375189161 /nfs/dbraw/zinc/18/91/61/375189161.db2.gz GKWTXWTWRMPVOF-GJZGRUSLSA-N 2 2 291.395 0.913 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@@H]1COCC[N@@H+]1C)[C@@H](C)[NH3+] ZINC000638612891 375195883 /nfs/dbraw/zinc/19/58/83/375195883.db2.gz YAENFFXFYCUUIL-UTUOFQBUSA-N 2 2 257.378 0.053 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@@H]1COCC[N@H+]1C)[C@@H](C)[NH3+] ZINC000638612891 375195890 /nfs/dbraw/zinc/19/58/90/375195890.db2.gz YAENFFXFYCUUIL-UTUOFQBUSA-N 2 2 257.378 0.053 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000638613005 375196372 /nfs/dbraw/zinc/19/63/72/375196372.db2.gz ZTWBBMHQZDDLEB-IHRRRGAJSA-N 2 2 283.416 0.731 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000638613005 375196385 /nfs/dbraw/zinc/19/63/85/375196385.db2.gz ZTWBBMHQZDDLEB-IHRRRGAJSA-N 2 2 283.416 0.731 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@@H]1COCC[N@@H+]1C)[C@H](C)[NH3+] ZINC000638612890 375197462 /nfs/dbraw/zinc/19/74/62/375197462.db2.gz YAENFFXFYCUUIL-TUAOUCFPSA-N 2 2 257.378 0.053 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@@H]1COCC[N@H+]1C)[C@H](C)[NH3+] ZINC000638612890 375197471 /nfs/dbraw/zinc/19/74/71/375197471.db2.gz YAENFFXFYCUUIL-TUAOUCFPSA-N 2 2 257.378 0.053 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000638690191 375296619 /nfs/dbraw/zinc/29/66/19/375296619.db2.gz PWKTXWQRQMAJSA-GFQSEFKGSA-N 2 2 253.390 0.818 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000638764289 375342747 /nfs/dbraw/zinc/34/27/47/375342747.db2.gz AOWJZUNNBSPHLM-HNBZJPLGSA-N 2 2 269.295 0.831 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638814485 375386348 /nfs/dbraw/zinc/38/63/48/375386348.db2.gz BTUUUSORONPTRE-NSHDSACASA-N 2 2 250.346 0.991 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC(CCF)CC1 ZINC000638874086 375418524 /nfs/dbraw/zinc/41/85/24/375418524.db2.gz FAZZJOJRFJROHS-LBPRGKRZSA-N 2 2 259.369 0.864 20 0 CCADLP CO[C@@H](C[NH2+]CC[NH+]1CCC(OC)CC1)[C@@H]1CCOC1 ZINC000638900487 375438468 /nfs/dbraw/zinc/43/84/68/375438468.db2.gz PHVHCJBUMLTECT-HIFRSBDPSA-N 2 2 286.416 0.738 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638983754 375496539 /nfs/dbraw/zinc/49/65/39/375496539.db2.gz DQMHKLBYPJUSQP-GFCCVEGCSA-N 3 2 291.399 0.818 20 0 CCADLP Cc1cc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)n[nH]1 ZINC000638987914 375499399 /nfs/dbraw/zinc/49/93/99/375499399.db2.gz NMGUCMQRCDOBMF-UHFFFAOYSA-N 2 2 286.339 0.775 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639022595 375527344 /nfs/dbraw/zinc/52/73/44/375527344.db2.gz JWKYYNCOORNAMG-OLZOCXBDSA-N 2 2 262.357 0.874 20 0 CCADLP Nc1nc(N)c(CNC2CC([NH+]3CCCCC3)C2)c[nH+]1 ZINC000639124444 375589132 /nfs/dbraw/zinc/58/91/32/375589132.db2.gz KQOFRZVMNWKOSL-UHFFFAOYSA-N 2 2 276.388 0.408 20 0 CCADLP Nc1ncc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c(N)n1 ZINC000639124444 375589140 /nfs/dbraw/zinc/58/91/40/375589140.db2.gz KQOFRZVMNWKOSL-UHFFFAOYSA-N 2 2 276.388 0.408 20 0 CCADLP CCN(CCO)CC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639055472 375551891 /nfs/dbraw/zinc/55/18/91/375551891.db2.gz XMGVAFYJUOOLLM-UHFFFAOYSA-N 2 2 287.448 0.126 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000639065627 375556968 /nfs/dbraw/zinc/55/69/68/375556968.db2.gz QWLGMGLHNMVMFZ-TZMCWYRMSA-N 3 2 290.411 0.745 20 0 CCADLP C[NH+](C)[C@@H]1CCCN(Cc2c[nH+]c(N)nc2N)CC1 ZINC000639102449 375578462 /nfs/dbraw/zinc/57/84/62/375578462.db2.gz BKMBRVYDGFJKGK-LLVKDONJSA-N 2 2 264.377 0.218 20 0 CCADLP CC(C)[C@H]1CN(Cc2c[nH+]c(N)nc2N)CC[N@@H+]1C ZINC000639101720 375578858 /nfs/dbraw/zinc/57/88/58/375578858.db2.gz GFSZRAWTUQAPRD-LLVKDONJSA-N 2 2 264.377 0.074 20 0 CCADLP CC(C)[C@H]1CN(Cc2c[nH+]c(N)nc2N)CC[N@H+]1C ZINC000639101720 375578865 /nfs/dbraw/zinc/57/88/65/375578865.db2.gz GFSZRAWTUQAPRD-LLVKDONJSA-N 2 2 264.377 0.074 20 0 CCADLP CC(C)(C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)N1CCOCC1 ZINC000639190879 375626813 /nfs/dbraw/zinc/62/68/13/375626813.db2.gz DMEBDBZJWNKLJQ-LBPRGKRZSA-N 2 2 278.400 0.967 20 0 CCADLP CC(C)(C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1)N1CCOCC1 ZINC000639190879 375626818 /nfs/dbraw/zinc/62/68/18/375626818.db2.gz DMEBDBZJWNKLJQ-LBPRGKRZSA-N 2 2 278.400 0.967 20 0 CCADLP Cn1c[nH+]c(CC[NH2+]C2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000639256355 375669776 /nfs/dbraw/zinc/66/97/76/375669776.db2.gz XQRNOCVLNDDCMC-UHFFFAOYSA-N 3 2 280.416 0.788 20 0 CCADLP CC(C)C[N@H+](C)CCC[NH2+]Cc1cnc(N)nc1N ZINC000639288378 375700090 /nfs/dbraw/zinc/70/00/90/375700090.db2.gz HAGGQEWIUMDXFS-UHFFFAOYSA-N 2 2 266.393 0.369 20 0 CCADLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cnc(N)nc1N ZINC000639288378 375700097 /nfs/dbraw/zinc/70/00/97/375700097.db2.gz HAGGQEWIUMDXFS-UHFFFAOYSA-N 2 2 266.393 0.369 20 0 CCADLP COc1c(C)c[nH+]c(CN2CC[N@H+](C)C[C@H]2CO)c1C ZINC000639333243 375730539 /nfs/dbraw/zinc/73/05/39/375730539.db2.gz GPUACECBUUAWAQ-ZDUSSCGKSA-N 2 2 279.384 0.815 20 0 CCADLP COc1c(C)c[nH+]c(CN2CC[N@@H+](C)C[C@H]2CO)c1C ZINC000639333243 375730550 /nfs/dbraw/zinc/73/05/50/375730550.db2.gz GPUACECBUUAWAQ-ZDUSSCGKSA-N 2 2 279.384 0.815 20 0 CCADLP O=C1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCCN1 ZINC000639328949 375728584 /nfs/dbraw/zinc/72/85/84/375728584.db2.gz USLRRCZIADZREO-ZIAGYGMSSA-N 2 2 281.400 0.498 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000656698730 412842415 /nfs/dbraw/zinc/84/24/15/412842415.db2.gz CITDBUVOUSXWTO-OCCSQVGLSA-N 2 2 256.390 0.656 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000656698730 412842416 /nfs/dbraw/zinc/84/24/16/412842416.db2.gz CITDBUVOUSXWTO-OCCSQVGLSA-N 2 2 256.390 0.656 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000639642863 375882001 /nfs/dbraw/zinc/88/20/01/375882001.db2.gz WJOJNBKRYACIJD-UONOGXRCSA-N 2 2 265.357 0.842 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000639642863 375882007 /nfs/dbraw/zinc/88/20/07/375882007.db2.gz WJOJNBKRYACIJD-UONOGXRCSA-N 2 2 265.357 0.842 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000639660472 375893661 /nfs/dbraw/zinc/89/36/61/375893661.db2.gz WZXOGOMAVIBHPM-NWANDNLSSA-N 2 2 279.384 0.824 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000639660472 375893666 /nfs/dbraw/zinc/89/36/66/375893666.db2.gz WZXOGOMAVIBHPM-NWANDNLSSA-N 2 2 279.384 0.824 20 0 CCADLP CC(C)CCNC(=O)[C@H](C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764926 375993622 /nfs/dbraw/zinc/99/36/22/375993622.db2.gz XDRLHWDIPOLMCV-HOCLYGCPSA-N 2 2 299.459 0.926 20 0 CCADLP CC(C)CCNC(=O)[C@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764926 375993629 /nfs/dbraw/zinc/99/36/29/375993629.db2.gz XDRLHWDIPOLMCV-HOCLYGCPSA-N 2 2 299.459 0.926 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767165 375997773 /nfs/dbraw/zinc/99/77/73/375997773.db2.gz SYYKSPQIARFELF-SMDDNHRTSA-N 2 2 269.389 0.042 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767165 375997778 /nfs/dbraw/zinc/99/77/78/375997778.db2.gz SYYKSPQIARFELF-SMDDNHRTSA-N 2 2 269.389 0.042 20 0 CCADLP Cn1cc(C2=CCC[N@H+](C[C@H](O)C[NH+](C)C3CC3)C2)cn1 ZINC000639796867 376014509 /nfs/dbraw/zinc/01/45/09/376014509.db2.gz XIDIUOHPTXUGJG-MRXNPFEDSA-N 2 2 290.411 0.964 20 0 CCADLP Cn1cc(C2=CCC[N@@H+](C[C@H](O)C[NH+](C)C3CC3)C2)cn1 ZINC000639796867 376014518 /nfs/dbraw/zinc/01/45/18/376014518.db2.gz XIDIUOHPTXUGJG-MRXNPFEDSA-N 2 2 290.411 0.964 20 0 CCADLP Cn1cc(C2=CCC[NH+](C[C@H](O)C[N@H+](C)C3CC3)C2)cn1 ZINC000639796867 376014524 /nfs/dbraw/zinc/01/45/24/376014524.db2.gz XIDIUOHPTXUGJG-MRXNPFEDSA-N 2 2 290.411 0.964 20 0 CCADLP Cn1cc(C2=CCC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)C2)cn1 ZINC000639796867 376014528 /nfs/dbraw/zinc/01/45/28/376014528.db2.gz XIDIUOHPTXUGJG-MRXNPFEDSA-N 2 2 290.411 0.964 20 0 CCADLP Cc1nnc(N2CC[NH+](CCn3cc[nH+]c3)CC2)n1C ZINC000639977555 376167010 /nfs/dbraw/zinc/16/70/10/376167010.db2.gz PVGXALKKDBTNAT-UHFFFAOYSA-N 2 2 275.360 0.142 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(CCF)CC1 ZINC000639989958 376171214 /nfs/dbraw/zinc/17/12/14/376171214.db2.gz RDPYFWAWOWZPCL-AWEZNQCLSA-N 2 2 276.396 0.997 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(CCF)CC1 ZINC000639989958 376171222 /nfs/dbraw/zinc/17/12/22/376171222.db2.gz RDPYFWAWOWZPCL-AWEZNQCLSA-N 2 2 276.396 0.997 20 0 CCADLP CO[C@@H]1C[N@H+](Cc2cc[nH+]c(N)c2)[C@](C)(CO)C1 ZINC000640000572 376179703 /nfs/dbraw/zinc/17/97/03/376179703.db2.gz NXVOLBNISLYINQ-AAEUAGOBSA-N 2 2 251.330 0.466 20 0 CCADLP CO[C@@H]1C[N@@H+](Cc2cc[nH+]c(N)c2)[C@](C)(CO)C1 ZINC000640000572 376179708 /nfs/dbraw/zinc/17/97/08/376179708.db2.gz NXVOLBNISLYINQ-AAEUAGOBSA-N 2 2 251.330 0.466 20 0 CCADLP C[N@@H+](CCCc1ccncc1)CC(=O)N1CC[NH+](C)CC1 ZINC000640051112 376216910 /nfs/dbraw/zinc/21/69/10/376216910.db2.gz HUZYZQNRAWMCEN-UHFFFAOYSA-N 2 2 290.411 0.720 20 0 CCADLP CNC(=O)NC[C@@H]1COCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000640102900 376237665 /nfs/dbraw/zinc/23/76/65/376237665.db2.gz PCQJCESSDBGJEV-CYBMUJFWSA-N 2 2 295.387 0.211 20 0 CCADLP CNC(=O)NC[C@@H]1COCC[N@H+]1CCCn1cc[nH+]c1C ZINC000640102900 376237672 /nfs/dbraw/zinc/23/76/72/376237672.db2.gz PCQJCESSDBGJEV-CYBMUJFWSA-N 2 2 295.387 0.211 20 0 CCADLP COCC[N@H+](C)Cc1cn(CCCn2cc[nH+]c2)nn1 ZINC000641055579 376724332 /nfs/dbraw/zinc/72/43/32/376724332.db2.gz RAYMOGMSXMCMBV-UHFFFAOYSA-N 2 2 278.360 0.643 20 0 CCADLP COCC[N@@H+](C)Cc1cn(CCCn2cc[nH+]c2)nn1 ZINC000641055579 376724337 /nfs/dbraw/zinc/72/43/37/376724337.db2.gz RAYMOGMSXMCMBV-UHFFFAOYSA-N 2 2 278.360 0.643 20 0 CCADLP Cc1cccc2[nH+]c(Cn3cc(COCC[NH3+])nn3)cn21 ZINC000641030323 376687336 /nfs/dbraw/zinc/68/73/36/376687336.db2.gz RFWSZBRWLPKBKW-UHFFFAOYSA-N 2 2 286.339 0.758 20 0 CCADLP COc1cc[nH+]c(Cn2cc([C@H]([NH3+])[C@@H]3CCCO3)nn2)c1 ZINC000641031180 376689015 /nfs/dbraw/zinc/68/90/15/376689015.db2.gz WINPYUDPVXRNJZ-KBPBESRZSA-N 2 2 289.339 0.909 20 0 CCADLP COC[C@@H]([NH3+])Cc1cn(Cc2cc[nH+]c(C)c2)nn1 ZINC000641088899 376763748 /nfs/dbraw/zinc/76/37/48/376763748.db2.gz KTPHJQYGOCVHLK-LBPRGKRZSA-N 2 2 261.329 0.546 20 0 CCADLP COC[C@H]([NH3+])Cc1cn(Cc2c[nH+]ccc2C)nn1 ZINC000641070700 376740304 /nfs/dbraw/zinc/74/03/04/376740304.db2.gz KFSQYNXJGYSYTI-GFCCVEGCSA-N 2 2 261.329 0.546 20 0 CCADLP O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CCn2cc[nH+]c2C1 ZINC000062254587 284592503 /nfs/dbraw/zinc/59/25/03/284592503.db2.gz SWUMIEQTAXMRQW-CQSZACIVSA-N 2 2 282.347 0.940 20 0 CCADLP COCC[N@H+](C)Cc1cn(CC2CC[NH2+]CC2)nn1 ZINC000641232703 376932385 /nfs/dbraw/zinc/93/23/85/376932385.db2.gz JWRFKFVFIKYAFO-UHFFFAOYSA-N 2 2 267.377 0.356 20 0 CCADLP COCC[N@@H+](C)Cc1cn(CC2CC[NH2+]CC2)nn1 ZINC000641232703 376932395 /nfs/dbraw/zinc/93/23/95/376932395.db2.gz JWRFKFVFIKYAFO-UHFFFAOYSA-N 2 2 267.377 0.356 20 0 CCADLP CC(C)[N@H+](C)CCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641444490 377126085 /nfs/dbraw/zinc/12/60/85/377126085.db2.gz RTDBPXCHRFQXOP-UHFFFAOYSA-N 2 2 274.390 0.143 20 0 CCADLP CC(C)[N@@H+](C)CCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641444490 377126094 /nfs/dbraw/zinc/12/60/94/377126094.db2.gz RTDBPXCHRFQXOP-UHFFFAOYSA-N 2 2 274.390 0.143 20 0 CCADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)CCn1cc[nH+]c1 ZINC000641407602 377081739 /nfs/dbraw/zinc/08/17/39/377081739.db2.gz DENRAAMEYDAKIJ-NWDGAFQWSA-N 2 2 286.401 0.237 20 0 CCADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)CCn1cc[nH+]c1 ZINC000641407602 377081748 /nfs/dbraw/zinc/08/17/48/377081748.db2.gz DENRAAMEYDAKIJ-NWDGAFQWSA-N 2 2 286.401 0.237 20 0 CCADLP COCc1cc(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)no1 ZINC000641719165 377417453 /nfs/dbraw/zinc/41/74/53/377417453.db2.gz GFLKRQAVALTRIZ-LBPRGKRZSA-N 2 2 282.388 0.547 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCN2C(=O)CCC2=O)[C@@H]1C ZINC000641805241 377477104 /nfs/dbraw/zinc/47/71/04/377477104.db2.gz FADRDKGOLXVXBZ-UTUOFQBUSA-N 2 2 267.373 0.583 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCN2C(=O)CCC2=O)[C@@H]1C ZINC000641805241 377477114 /nfs/dbraw/zinc/47/71/14/377477114.db2.gz FADRDKGOLXVXBZ-UTUOFQBUSA-N 2 2 267.373 0.583 20 0 CCADLP Cc1cc(NC(=O)C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)no1 ZINC000641806010 377477880 /nfs/dbraw/zinc/47/78/80/377477880.db2.gz PVZRYXGLYZJEDP-RKDXNWHRSA-N 2 2 252.318 0.059 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C[NH+]1CCCC1 ZINC000422967211 249011924 /nfs/dbraw/zinc/01/19/24/249011924.db2.gz BQUKSZIEBLRTON-FXUDXRNXSA-N 3 2 281.444 0.953 20 0 CCADLP C[NH+](C)CC(C)(C)[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC000459542174 249042250 /nfs/dbraw/zinc/04/22/50/249042250.db2.gz VRLILOMLLHXAFA-UHFFFAOYSA-N 2 2 270.377 0.247 20 0 CCADLP Cc1cc[nH+]cc1N1CCN(C(=O)NC/C=C\C[NH3+])CC1 ZINC000641866583 377514236 /nfs/dbraw/zinc/51/42/36/377514236.db2.gz FLZAQUMDUNKQEK-IHWYPQMZSA-N 2 2 289.383 0.737 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000459796900 249061991 /nfs/dbraw/zinc/06/19/91/249061991.db2.gz ZDFJXIJCYPFPAX-AGIUHOORSA-N 2 2 251.374 0.539 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000514824965 249106217 /nfs/dbraw/zinc/10/62/17/249106217.db2.gz LVUUKJJELAHZFH-TZMCWYRMSA-N 2 2 297.424 0.553 20 0 CCADLP CCOCC[C@@H](O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000516978051 249195926 /nfs/dbraw/zinc/19/59/26/249195926.db2.gz YYTSTKMUOQOFHV-CHWSQXEVSA-N 2 2 267.373 0.997 20 0 CCADLP CCOCC[C@@H](O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000516978051 249195929 /nfs/dbraw/zinc/19/59/29/249195929.db2.gz YYTSTKMUOQOFHV-CHWSQXEVSA-N 2 2 267.373 0.997 20 0 CCADLP Cc1nc(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)[nH]c1C ZINC000517042501 249202015 /nfs/dbraw/zinc/20/20/15/249202015.db2.gz WXHJSOUAMVAKHW-LLVKDONJSA-N 2 2 265.405 0.752 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)c1cnccn1)[C@H]1CCCC[NH2+]1 ZINC000569472647 291682191 /nfs/dbraw/zinc/68/21/91/291682191.db2.gz IQDRELNMJHFARK-VXGBXAGGSA-N 2 2 277.372 0.327 20 0 CCADLP [NH3+]CCOCC[N@@H+]1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000357093110 295234934 /nfs/dbraw/zinc/23/49/34/295234934.db2.gz VZYMQJMBLHGWHD-SNVBAGLBSA-N 2 2 284.385 0.521 20 0 CCADLP [NH3+]CCOCC[N@H+]1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000357093110 295234936 /nfs/dbraw/zinc/23/49/36/295234936.db2.gz VZYMQJMBLHGWHD-SNVBAGLBSA-N 2 2 284.385 0.521 20 0 CCADLP C=Cn1cc(C[NH2+]C2CC[NH+](CC(=O)N(C)C)CC2)cn1 ZINC000278634324 194078316 /nfs/dbraw/zinc/07/83/16/194078316.db2.gz HHAIPDVYSUEWHZ-UHFFFAOYSA-N 2 2 291.399 0.626 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[NH+](CC2CC2)CC1 ZINC000279192706 194326539 /nfs/dbraw/zinc/32/65/39/194326539.db2.gz LQOGABBCGUURGT-UHFFFAOYSA-N 2 2 262.357 0.897 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000334922677 207298130 /nfs/dbraw/zinc/29/81/30/207298130.db2.gz RDQAFXZGBUCNPJ-CYBMUJFWSA-N 2 2 283.351 0.535 20 0 CCADLP CCCc1ncc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)o1 ZINC000571075225 291789690 /nfs/dbraw/zinc/78/96/90/291789690.db2.gz QYVPLOKDSSYRQO-CYBMUJFWSA-N 2 2 296.415 0.325 20 0 CCADLP C[C@H](CN1CCOCC1)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657309763 412958474 /nfs/dbraw/zinc/95/84/74/412958474.db2.gz GQOXJYDOWZZNPI-GFCCVEGCSA-N 2 2 264.373 0.640 20 0 CCADLP COCc1ccc(CNC(=O)C[NH+]2CCC([NH3+])CC2)cc1 ZINC000237208663 284967129 /nfs/dbraw/zinc/96/71/29/284967129.db2.gz RZYDJHCDMBGMQZ-UHFFFAOYSA-N 2 2 291.395 0.872 20 0 CCADLP COc1ccc(OC)c(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000358161213 532963865 /nfs/dbraw/zinc/96/38/65/532963865.db2.gz DVWIJHKGGUNSAF-HNNXBMFYSA-N 2 2 280.368 0.860 20 0 CCADLP COc1ccc(OC)c(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000358161213 532963869 /nfs/dbraw/zinc/96/38/69/532963869.db2.gz DVWIJHKGGUNSAF-HNNXBMFYSA-N 2 2 280.368 0.860 20 0 CCADLP CC(C)([NH3+])C[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000335265874 208059292 /nfs/dbraw/zinc/05/92/92/208059292.db2.gz QXECFRLVHZVXNR-UHFFFAOYSA-N 2 2 254.378 0.603 20 0 CCADLP COC1([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)CCC1 ZINC000412023564 533026782 /nfs/dbraw/zinc/02/67/82/533026782.db2.gz XTODRDNWOJKSEX-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnn2c1CCC2)C[NH+]1CCOCC1 ZINC000657371058 412976059 /nfs/dbraw/zinc/97/60/59/412976059.db2.gz SMRZABCBKYFIST-ZDUSSCGKSA-N 2 2 278.400 0.887 20 0 CCADLP CCNC(=O)N1CC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657400413 412981593 /nfs/dbraw/zinc/98/15/93/412981593.db2.gz YCFBCXDORDUFSH-NSHDSACASA-N 2 2 277.372 0.723 20 0 CCADLP CCC(=O)N1CC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657399680 412981704 /nfs/dbraw/zinc/98/17/04/412981704.db2.gz BRBHBMJSIDXJIO-NSHDSACASA-N 2 2 262.357 0.930 20 0 CCADLP COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000574809200 335048889 /nfs/dbraw/zinc/04/88/89/335048889.db2.gz QENWPZXVUVSGFB-YNEHKIRRSA-N 2 2 297.399 0.067 20 0 CCADLP COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000574809200 335048888 /nfs/dbraw/zinc/04/88/88/335048888.db2.gz QENWPZXVUVSGFB-YNEHKIRRSA-N 2 2 297.399 0.067 20 0 CCADLP CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657420789 412984788 /nfs/dbraw/zinc/98/47/88/412984788.db2.gz ABCJVXLRVZDSFC-RYUDHWBXSA-N 2 2 262.357 0.834 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657414605 412985478 /nfs/dbraw/zinc/98/54/78/412985478.db2.gz CRCPPGUBOAMIRW-HNNXBMFYSA-N 3 2 289.383 0.670 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(CC[NH+]2CCO[C@H](C)C2)[C@@H](C)C1 ZINC000249295102 285109237 /nfs/dbraw/zinc/10/92/37/285109237.db2.gz QQKTUIYYQWUQSY-SOUVJXGZSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@H](O)C[NH+]1CCN(CC[N@@H+]2CCO[C@H](C)C2)[C@@H](C)C1 ZINC000249295102 285109238 /nfs/dbraw/zinc/10/92/38/285109238.db2.gz QQKTUIYYQWUQSY-SOUVJXGZSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@H](O)C[NH+]1CCN(CC[N@H+]2CCO[C@H](C)C2)[C@@H](C)C1 ZINC000249295102 285109240 /nfs/dbraw/zinc/10/92/40/285109240.db2.gz QQKTUIYYQWUQSY-SOUVJXGZSA-N 2 2 285.432 0.094 20 0 CCADLP CCOCC[N@@H+]1CCN(CC[NH+]2CCOC[C@H]2C)C[C@H]1C ZINC000249430900 285116382 /nfs/dbraw/zinc/11/63/82/285116382.db2.gz DWLZJHUYHXWZKU-HZPDHXFCSA-N 2 2 299.459 0.750 20 0 CCADLP CCOCC[N@H+]1CCN(CC[NH+]2CCOC[C@H]2C)C[C@H]1C ZINC000249430900 285116383 /nfs/dbraw/zinc/11/63/83/285116383.db2.gz DWLZJHUYHXWZKU-HZPDHXFCSA-N 2 2 299.459 0.750 20 0 CCADLP CCOCC[NH+]1CCN(CC[N@H+]2CCOC[C@H]2C)C[C@H]1C ZINC000249430900 285116386 /nfs/dbraw/zinc/11/63/86/285116386.db2.gz DWLZJHUYHXWZKU-HZPDHXFCSA-N 2 2 299.459 0.750 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000250780451 285144424 /nfs/dbraw/zinc/14/44/24/285144424.db2.gz XORSBTUXBXWZGM-CHWSQXEVSA-N 2 2 269.389 0.213 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000250780451 285144425 /nfs/dbraw/zinc/14/44/25/285144425.db2.gz XORSBTUXBXWZGM-CHWSQXEVSA-N 2 2 269.389 0.213 20 0 CCADLP COc1ccc(C[NH2+]C[C@H]2C[NH2+]CCO2)cc1OC ZINC000258861954 285153029 /nfs/dbraw/zinc/15/30/29/285153029.db2.gz HAJDRUYCNRNOEB-GFCCVEGCSA-N 2 2 266.341 0.782 20 0 CCADLP COCCOC[C@@H]1CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425340296 533113460 /nfs/dbraw/zinc/11/34/60/533113460.db2.gz VJSQAJIIJJGGTD-CYBMUJFWSA-N 2 2 296.415 0.971 20 0 CCADLP COCCOC[C@@H]1CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425340296 533113466 /nfs/dbraw/zinc/11/34/66/533113466.db2.gz VJSQAJIIJJGGTD-CYBMUJFWSA-N 2 2 296.415 0.971 20 0 CCADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)C(=O)N1CCCC1 ZINC000657455435 412997326 /nfs/dbraw/zinc/99/73/26/412997326.db2.gz JOVYNMAMJMRJLG-NSHDSACASA-N 2 2 262.357 0.930 20 0 CCADLP COCCOC[C@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425359972 533123588 /nfs/dbraw/zinc/12/35/88/533123588.db2.gz SGDBYOIJOMBTQN-NSHDSACASA-N 2 2 270.377 0.627 20 0 CCADLP COC[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364232389 285209686 /nfs/dbraw/zinc/20/96/86/285209686.db2.gz ZGADOSFNMKWWEU-CHWSQXEVSA-N 2 2 298.431 0.489 20 0 CCADLP COC[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364232389 285209691 /nfs/dbraw/zinc/20/96/91/285209691.db2.gz ZGADOSFNMKWWEU-CHWSQXEVSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H](C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)[NH+]1CCOCC1 ZINC000424246367 533190021 /nfs/dbraw/zinc/19/00/21/533190021.db2.gz VPKXJDGBTTXJLL-KBPBESRZSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccn[nH]1 ZINC000657573367 413024972 /nfs/dbraw/zinc/02/49/72/413024972.db2.gz KJHFVLMQHXNLCE-LBPRGKRZSA-N 2 2 253.394 0.771 20 0 CCADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CC[C@H](C)[NH3+])C1 ZINC000574874909 335054039 /nfs/dbraw/zinc/05/40/39/335054039.db2.gz VZJZADFFOKIULV-NWDGAFQWSA-N 2 2 285.388 0.115 20 0 CCADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)CC[C@H](C)[NH3+])C1 ZINC000574874909 335054040 /nfs/dbraw/zinc/05/40/40/335054040.db2.gz VZJZADFFOKIULV-NWDGAFQWSA-N 2 2 285.388 0.115 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@]2(OCCO)CCOC2)C[N@@H+]1C1CC1 ZINC000657598996 413030814 /nfs/dbraw/zinc/03/08/14/413030814.db2.gz XXYHIKJQPKKMSV-UMVBOHGHSA-N 2 2 284.400 0.369 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@]2(OCCO)CCOC2)C[N@H+]1C1CC1 ZINC000657598996 413030820 /nfs/dbraw/zinc/03/08/20/413030820.db2.gz XXYHIKJQPKKMSV-UMVBOHGHSA-N 2 2 284.400 0.369 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCO[C@]2(CCOC2)C1 ZINC000185201709 388792528 /nfs/dbraw/zinc/79/25/28/388792528.db2.gz DVESLBSKTDWVFH-ZIAGYGMSSA-N 2 2 254.374 0.962 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCO[C@]2(CCOC2)C1 ZINC000185201709 388792530 /nfs/dbraw/zinc/79/25/30/388792530.db2.gz DVESLBSKTDWVFH-ZIAGYGMSSA-N 2 2 254.374 0.962 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185201709 388792533 /nfs/dbraw/zinc/79/25/33/388792533.db2.gz DVESLBSKTDWVFH-ZIAGYGMSSA-N 2 2 254.374 0.962 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000185201709 388792534 /nfs/dbraw/zinc/79/25/34/388792534.db2.gz DVESLBSKTDWVFH-ZIAGYGMSSA-N 2 2 254.374 0.962 20 0 CCADLP C[C@H](C[NH3+])C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000285807043 388799353 /nfs/dbraw/zinc/79/93/53/388799353.db2.gz RDGCOQUHDGRDNR-GFCCVEGCSA-N 2 2 277.368 0.631 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cc(O)cc(F)c1 ZINC000185607202 388810033 /nfs/dbraw/zinc/81/00/33/388810033.db2.gz QOMARAWQDREOEQ-ZDUSSCGKSA-N 2 2 256.321 0.934 20 0 CCADLP CC(C)(CNC(=O)[C@@H]([NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000011954746 388777108 /nfs/dbraw/zinc/77/71/08/388777108.db2.gz YWEXPWDDVQVTHN-AWEZNQCLSA-N 2 2 291.395 0.913 20 0 CCADLP [NH3+]CCCC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000040858228 388858551 /nfs/dbraw/zinc/85/85/51/388858551.db2.gz ALGAWTOSOJPBAT-GFCCVEGCSA-N 2 2 297.424 0.977 20 0 CCADLP C[C@@H](CN(C)C)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000290100059 388900656 /nfs/dbraw/zinc/90/06/56/388900656.db2.gz KEMSZJKXEIAXLZ-ZDUSSCGKSA-N 2 2 292.431 0.268 20 0 CCADLP C[C@@H](C[NH+](C)C)NCc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000290100059 388900660 /nfs/dbraw/zinc/90/06/60/388900660.db2.gz KEMSZJKXEIAXLZ-ZDUSSCGKSA-N 2 2 292.431 0.268 20 0 CCADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1c[nH+]cn1C ZINC000189475803 388960959 /nfs/dbraw/zinc/96/09/59/388960959.db2.gz DDNBGXRSPNIPKH-GFCCVEGCSA-N 2 2 266.389 0.697 20 0 CCADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1c[nH+]cn1C ZINC000189475803 388960960 /nfs/dbraw/zinc/96/09/60/388960960.db2.gz DDNBGXRSPNIPKH-GFCCVEGCSA-N 2 2 266.389 0.697 20 0 CCADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)C=Cc3c[nH]c[nH+]3)C2)C1 ZINC000293843597 388988508 /nfs/dbraw/zinc/98/85/08/388988508.db2.gz JEZXDTHCSCOHJW-BAABZTOOSA-N 2 2 260.341 0.977 20 0 CCADLP C[N@H+]1CC[C@@]2(CCN(C(=O)C=Cc3c[nH]c[nH+]3)C2)C1 ZINC000293843597 388988512 /nfs/dbraw/zinc/98/85/12/388988512.db2.gz JEZXDTHCSCOHJW-BAABZTOOSA-N 2 2 260.341 0.977 20 0 CCADLP CNS(=O)(=O)CC[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000190305214 388988863 /nfs/dbraw/zinc/98/88/63/388988863.db2.gz CNFNGFGUCGYPQJ-UHFFFAOYSA-N 2 2 282.369 0.282 20 0 CCADLP Cc1ccc([C@@H](CNC(=O)CC[NH3+])[NH+]2CCOCC2)s1 ZINC000295310926 389001165 /nfs/dbraw/zinc/00/11/65/389001165.db2.gz YJOAFRGJOYXYGP-GFCCVEGCSA-N 2 2 297.424 0.895 20 0 CCADLP COC(=O)C[C@H]1CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000298385552 389016198 /nfs/dbraw/zinc/01/61/98/389016198.db2.gz LDYLKYDXLJJPHW-LLVKDONJSA-N 2 2 251.330 0.990 20 0 CCADLP COC(=O)C[C@H]1CCC[N@H+]1CCc1c[nH+]cn1C ZINC000298385552 389016204 /nfs/dbraw/zinc/01/62/04/389016204.db2.gz LDYLKYDXLJJPHW-LLVKDONJSA-N 2 2 251.330 0.990 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000336842513 389026260 /nfs/dbraw/zinc/02/62/60/389026260.db2.gz UTKXUFLZECSKMK-UTUOFQBUSA-N 2 2 295.349 0.932 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000336842513 389026263 /nfs/dbraw/zinc/02/62/63/389026263.db2.gz UTKXUFLZECSKMK-UTUOFQBUSA-N 2 2 295.349 0.932 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](CO)C2)CC1 ZINC000192800021 389053655 /nfs/dbraw/zinc/05/36/55/389053655.db2.gz XQNJYCPQSHSEQQ-KGLIPLIRSA-N 2 2 283.416 0.243 20 0 CCADLP CC(C)C[NH+]1CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000338049656 389072735 /nfs/dbraw/zinc/07/27/35/389072735.db2.gz KCCRQDYQLCMLSP-HNNXBMFYSA-N 2 2 296.459 0.423 20 0 CCADLP C[C@@H]1CN(c2cc(N3CCOCC3)[nH+]cn2)C[C@@H](C)[NH+]1C ZINC000302821623 389079308 /nfs/dbraw/zinc/07/93/08/389079308.db2.gz DMWJRMPSYHYRLT-CHWSQXEVSA-N 2 2 291.399 0.842 20 0 CCADLP CO[C@@]1(C)C[C@@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000093177799 389035110 /nfs/dbraw/zinc/03/51/10/389035110.db2.gz OCHSHCKUPBZCNU-CJNGLKHVSA-N 2 2 297.443 0.896 20 0 CCADLP CO[C@@]1(C)C[C@@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000093177799 389035112 /nfs/dbraw/zinc/03/51/12/389035112.db2.gz OCHSHCKUPBZCNU-CJNGLKHVSA-N 2 2 297.443 0.896 20 0 CCADLP CC(C)C[N@H+](CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000093158894 389035699 /nfs/dbraw/zinc/03/56/99/389035699.db2.gz JSUFLJXVTSOPBS-UHFFFAOYSA-N 2 2 253.390 0.881 20 0 CCADLP CC(C)C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000093158894 389035703 /nfs/dbraw/zinc/03/57/03/389035703.db2.gz JSUFLJXVTSOPBS-UHFFFAOYSA-N 2 2 253.390 0.881 20 0 CCADLP COC[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000121061846 389146309 /nfs/dbraw/zinc/14/63/09/389146309.db2.gz BSIOOFDJYIXAGE-ZDUSSCGKSA-N 2 2 269.389 0.119 20 0 CCADLP COC[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000121061846 389146312 /nfs/dbraw/zinc/14/63/12/389146312.db2.gz BSIOOFDJYIXAGE-ZDUSSCGKSA-N 2 2 269.389 0.119 20 0 CCADLP COCC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H](C)C(N)=O ZINC000121047624 389146382 /nfs/dbraw/zinc/14/63/82/389146382.db2.gz YKPYEGYVAUMBKC-RYUDHWBXSA-N 2 2 257.378 0.293 20 0 CCADLP COCC[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H](C)C(N)=O ZINC000121047624 389146385 /nfs/dbraw/zinc/14/63/85/389146385.db2.gz YKPYEGYVAUMBKC-RYUDHWBXSA-N 2 2 257.378 0.293 20 0 CCADLP COCC[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@H](C)C(N)=O ZINC000121047624 389146387 /nfs/dbraw/zinc/14/63/87/389146387.db2.gz YKPYEGYVAUMBKC-RYUDHWBXSA-N 2 2 257.378 0.293 20 0 CCADLP COCC[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@H](C)C(N)=O ZINC000121047624 389146392 /nfs/dbraw/zinc/14/63/92/389146392.db2.gz YKPYEGYVAUMBKC-RYUDHWBXSA-N 2 2 257.378 0.293 20 0 CCADLP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000107574396 389096748 /nfs/dbraw/zinc/09/67/48/389096748.db2.gz VGBQIEGPDVBGFO-SYQHCUMBSA-N 2 2 265.401 0.642 20 0 CCADLP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000107574396 389096750 /nfs/dbraw/zinc/09/67/50/389096750.db2.gz VGBQIEGPDVBGFO-SYQHCUMBSA-N 2 2 265.401 0.642 20 0 CCADLP CC[N@H+](C)CCNC(=O)NCCCn1cc[nH+]c1 ZINC000194795126 389105162 /nfs/dbraw/zinc/10/51/62/389105162.db2.gz HZKIOPGHWHYASB-UHFFFAOYSA-N 2 2 253.350 0.524 20 0 CCADLP CC[N@@H+](C)CCNC(=O)NCCCn1cc[nH+]c1 ZINC000194795126 389105165 /nfs/dbraw/zinc/10/51/65/389105165.db2.gz HZKIOPGHWHYASB-UHFFFAOYSA-N 2 2 253.350 0.524 20 0 CCADLP Cn1c[nH+]c(CC[NH2+]C[C@@H](O)COc2ccccc2)c1 ZINC000313290816 389112643 /nfs/dbraw/zinc/11/26/43/389112643.db2.gz FLZVNLIPUBWMIZ-CQSZACIVSA-N 2 2 275.352 0.992 20 0 CCADLP CCNC(=O)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000112636379 389127631 /nfs/dbraw/zinc/12/76/31/389127631.db2.gz QMDLMYICCDFJKG-AWEZNQCLSA-N 2 2 282.432 0.224 20 0 CCADLP CCNC(=O)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000112636379 389127632 /nfs/dbraw/zinc/12/76/32/389127632.db2.gz QMDLMYICCDFJKG-AWEZNQCLSA-N 2 2 282.432 0.224 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@]2(C1)NC(=O)NC2=O)C1CC1 ZINC000329728809 389193440 /nfs/dbraw/zinc/19/34/40/389193440.db2.gz CTFLTJGMMIPTBE-BXUZGUMPSA-N 2 2 296.371 0.160 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@]2(C1)NC(=O)NC2=O)C1CC1 ZINC000329728809 389193442 /nfs/dbraw/zinc/19/34/42/389193442.db2.gz CTFLTJGMMIPTBE-BXUZGUMPSA-N 2 2 296.371 0.160 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O)C1CC1 ZINC000329728809 389193443 /nfs/dbraw/zinc/19/34/43/389193443.db2.gz CTFLTJGMMIPTBE-BXUZGUMPSA-N 2 2 296.371 0.160 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O)C1CC1 ZINC000329728809 389193444 /nfs/dbraw/zinc/19/34/44/389193444.db2.gz CTFLTJGMMIPTBE-BXUZGUMPSA-N 2 2 296.371 0.160 20 0 CCADLP [NH3+]Cc1cc(C(=O)N2CC[NH+](C3CC3)CC2)ccn1 ZINC000130129849 389199421 /nfs/dbraw/zinc/19/94/21/389199421.db2.gz HBHTZLZABRNZMJ-UHFFFAOYSA-N 2 2 260.341 0.461 20 0 CCADLP CC[C@H](C)[NH+]1CCN(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000242837626 389203642 /nfs/dbraw/zinc/20/36/42/389203642.db2.gz FUBZKZWYODSFHN-AWEZNQCLSA-N 2 2 298.431 0.444 20 0 CCADLP COc1c(C[NH2+][C@H](C)CC[NH+]2CCOCC2)c(C)nn1C ZINC000124199352 389159779 /nfs/dbraw/zinc/15/97/79/389159779.db2.gz JHDZXWILIZIELH-GFCCVEGCSA-N 2 2 296.415 0.938 20 0 CCADLP CCCC[C@H]([NH3+])C(=O)N1CC[NH+](CCOC)CC1 ZINC000236764019 389172222 /nfs/dbraw/zinc/17/22/22/389172222.db2.gz QYQSGGUPSIMJTP-LBPRGKRZSA-N 2 2 257.378 0.295 20 0 CCADLP C(C[NH+]1C[C@H]2CC[C@@H](C1)O2)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000362860823 389242825 /nfs/dbraw/zinc/24/28/25/389242825.db2.gz VNSWOCAWKZBLPH-GEEKYZPCSA-N 2 2 296.411 0.729 20 0 CCADLP C(C[NH+]1C[C@H]2CC[C@@H](C1)O2)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000362860823 389242826 /nfs/dbraw/zinc/24/28/26/389242826.db2.gz VNSWOCAWKZBLPH-GEEKYZPCSA-N 2 2 296.411 0.729 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000330945177 389259755 /nfs/dbraw/zinc/25/97/55/389259755.db2.gz GTXFCVAIYVVCOV-GXSJLCMTSA-N 2 2 278.312 0.532 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000330945177 389259757 /nfs/dbraw/zinc/25/97/57/389259757.db2.gz GTXFCVAIYVVCOV-GXSJLCMTSA-N 2 2 278.312 0.532 20 0 CCADLP O=C1NCC[C@@H]1[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245668545 389215272 /nfs/dbraw/zinc/21/52/72/389215272.db2.gz BSCVSACIQJHUAU-STQMWFEESA-N 2 2 251.374 0.683 20 0 CCADLP O=C1NCC[C@@H]1[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245668545 389215276 /nfs/dbraw/zinc/21/52/76/389215276.db2.gz BSCVSACIQJHUAU-STQMWFEESA-N 2 2 251.374 0.683 20 0 CCADLP COC(=O)C[N@H+](CCn1cc[nH+]c1)C1CCOCC1 ZINC000131544525 389215757 /nfs/dbraw/zinc/21/57/57/389215757.db2.gz PINGJTQYQIKIGG-UHFFFAOYSA-N 2 2 267.329 0.537 20 0 CCADLP COC(=O)C[N@@H+](CCn1cc[nH+]c1)C1CCOCC1 ZINC000131544525 389215762 /nfs/dbraw/zinc/21/57/62/389215762.db2.gz PINGJTQYQIKIGG-UHFFFAOYSA-N 2 2 267.329 0.537 20 0 CCADLP COc1c[nH+]ccc1N1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC000361517299 389218604 /nfs/dbraw/zinc/21/86/04/389218604.db2.gz BLVYPFHHLFXAJP-SNVBAGLBSA-N 2 2 264.329 0.086 20 0 CCADLP C[C@@H]1OCC[NH2+][C@H]1C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC000343434103 389265783 /nfs/dbraw/zinc/26/57/83/389265783.db2.gz JVKATDCOBOAAIU-VAOFZXAKSA-N 2 2 296.396 0.275 20 0 CCADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246459110 389228064 /nfs/dbraw/zinc/22/80/64/389228064.db2.gz FHDZULIPSPKGFT-AAEUAGOBSA-N 2 2 294.399 0.391 20 0 CCADLP CNC(=O)NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246459110 389228067 /nfs/dbraw/zinc/22/80/67/389228067.db2.gz FHDZULIPSPKGFT-AAEUAGOBSA-N 2 2 294.399 0.391 20 0 CCADLP CNC(=O)NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246459110 389228071 /nfs/dbraw/zinc/22/80/71/389228071.db2.gz FHDZULIPSPKGFT-AAEUAGOBSA-N 2 2 294.399 0.391 20 0 CCADLP CNC(=O)NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246459110 389228073 /nfs/dbraw/zinc/22/80/73/389228073.db2.gz FHDZULIPSPKGFT-AAEUAGOBSA-N 2 2 294.399 0.391 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(Cc2c[nH+]c(N(C)C)n2C)[C@@H](C)C1 ZINC000362279884 389233106 /nfs/dbraw/zinc/23/31/06/389233106.db2.gz SEKAETIPRRFOEX-QWHCGFSZSA-N 2 2 295.431 0.373 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(Cc2c[nH+]c(N(C)C)n2C)[C@@H](C)C1 ZINC000362279884 389233107 /nfs/dbraw/zinc/23/31/07/389233107.db2.gz SEKAETIPRRFOEX-QWHCGFSZSA-N 2 2 295.431 0.373 20 0 CCADLP C[NH+](C)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000264452066 389329667 /nfs/dbraw/zinc/32/96/67/389329667.db2.gz ODZAELWBJHKYKI-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP OC[C@H](O)C[N@H+](CCC(F)(F)F)C[C@@H]1CCC[NH2+]C1 ZINC000346994278 389344009 /nfs/dbraw/zinc/34/40/09/389344009.db2.gz WLLASAGHYGTXDP-GHMZBOCLSA-N 2 2 284.322 0.594 20 0 CCADLP OC[C@H](O)C[N@@H+](CCC(F)(F)F)C[C@@H]1CCC[NH2+]C1 ZINC000346994278 389344011 /nfs/dbraw/zinc/34/40/11/389344011.db2.gz WLLASAGHYGTXDP-GHMZBOCLSA-N 2 2 284.322 0.594 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)C[N@@H+]1C1CC1 ZINC000346701848 389335469 /nfs/dbraw/zinc/33/54/69/389335469.db2.gz SUMCEWQGQGOOPY-OLZOCXBDSA-N 3 2 267.417 0.658 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)C[N@H+]1C1CC1 ZINC000346701848 389335473 /nfs/dbraw/zinc/33/54/73/389335473.db2.gz SUMCEWQGQGOOPY-OLZOCXBDSA-N 3 2 267.417 0.658 20 0 CCADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000261622903 389273158 /nfs/dbraw/zinc/27/31/58/389273158.db2.gz DQOOSQGZGLKRRM-INIZCTEOSA-N 3 2 294.443 0.400 20 0 CCADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000261622903 389273161 /nfs/dbraw/zinc/27/31/61/389273161.db2.gz DQOOSQGZGLKRRM-INIZCTEOSA-N 3 2 294.443 0.400 20 0 CCADLP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000261652286 389273590 /nfs/dbraw/zinc/27/35/90/389273590.db2.gz BCRCWFRQSOBDAY-NVXWUHKLSA-N 3 2 294.487 0.944 20 0 CCADLP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000261652286 389273594 /nfs/dbraw/zinc/27/35/94/389273594.db2.gz BCRCWFRQSOBDAY-NVXWUHKLSA-N 3 2 294.487 0.944 20 0 CCADLP COC(=O)CNC(=O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000151148701 389275844 /nfs/dbraw/zinc/27/58/44/389275844.db2.gz RLPIQINHLLHCQV-ZDUSSCGKSA-N 2 2 297.399 0.226 20 0 CCADLP COC(=O)CNC(=O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000151148701 389275848 /nfs/dbraw/zinc/27/58/48/389275848.db2.gz RLPIQINHLLHCQV-ZDUSSCGKSA-N 2 2 297.399 0.226 20 0 CCADLP CN(C(=O)[C@H]1CCCO1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365223708 389277691 /nfs/dbraw/zinc/27/76/91/389277691.db2.gz KLLOSHPMLDVYAY-LSDHHAIUSA-N 2 2 295.427 0.792 20 0 CCADLP CN(C(=O)[C@H]1CCCO1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365223708 389277693 /nfs/dbraw/zinc/27/76/93/389277693.db2.gz KLLOSHPMLDVYAY-LSDHHAIUSA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000331037513 389292022 /nfs/dbraw/zinc/29/20/22/389292022.db2.gz AXWLALAHJWLUFY-UHFFFAOYSA-N 2 2 284.404 0.785 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000331037513 389292025 /nfs/dbraw/zinc/29/20/25/389292025.db2.gz AXWLALAHJWLUFY-UHFFFAOYSA-N 2 2 284.404 0.785 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000262690856 389293566 /nfs/dbraw/zinc/29/35/66/389293566.db2.gz AIWCUJMROARELE-CQSZACIVSA-N 2 2 271.405 0.731 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000262690856 389293570 /nfs/dbraw/zinc/29/35/70/389293570.db2.gz AIWCUJMROARELE-CQSZACIVSA-N 2 2 271.405 0.731 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC000345267813 389296057 /nfs/dbraw/zinc/29/60/57/389296057.db2.gz ARJASVLDPLSZBJ-KGLIPLIRSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[C@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000366606312 389307710 /nfs/dbraw/zinc/30/77/10/389307710.db2.gz YZDRXYANZUKWCD-ZIAGYGMSSA-N 2 2 283.416 0.417 20 0 CCADLP CC(C)[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000366606312 389307713 /nfs/dbraw/zinc/30/77/13/389307713.db2.gz YZDRXYANZUKWCD-ZIAGYGMSSA-N 2 2 283.416 0.417 20 0 CCADLP C[C@H](CNC(=O)NCc1[nH+]ccn1C)C[NH+]1CCCC1 ZINC000264171153 389309774 /nfs/dbraw/zinc/30/97/74/389309774.db2.gz LTRNBPWRUXCOCD-GFCCVEGCSA-N 2 2 279.388 0.951 20 0 CCADLP Cc1cc(CNC(=O)NC[C@@](C)(O)C[NH+](C)C)cc(C)[nH+]1 ZINC000422206999 389407179 /nfs/dbraw/zinc/40/71/79/389407179.db2.gz LRLHVHLOQMYORW-OAHLLOKOSA-N 2 2 294.399 0.810 20 0 CCADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NC3CCOCC3)CC[C@@H]21 ZINC000158544365 389345128 /nfs/dbraw/zinc/34/51/28/389345128.db2.gz OZWFEARHMYPTLX-HIFRSBDPSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NC3CCOCC3)CC[C@@H]21 ZINC000158544365 389345133 /nfs/dbraw/zinc/34/51/33/389345133.db2.gz OZWFEARHMYPTLX-HIFRSBDPSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NC3CCOCC3)CC[C@@H]21 ZINC000158544365 389345136 /nfs/dbraw/zinc/34/51/36/389345136.db2.gz OZWFEARHMYPTLX-HIFRSBDPSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NC3CCOCC3)CC[C@@H]21 ZINC000158544365 389345140 /nfs/dbraw/zinc/34/51/40/389345140.db2.gz OZWFEARHMYPTLX-HIFRSBDPSA-N 2 2 295.427 0.698 20 0 CCADLP CCCN1C[C@H](C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CC1=O ZINC000421356321 389360309 /nfs/dbraw/zinc/36/03/09/389360309.db2.gz WXLWWBAMXQLCFZ-AVGNSLFASA-N 2 2 253.390 0.785 20 0 CCADLP CCCN1C[C@H](C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CC1=O ZINC000421356321 389360314 /nfs/dbraw/zinc/36/03/14/389360314.db2.gz WXLWWBAMXQLCFZ-AVGNSLFASA-N 2 2 253.390 0.785 20 0 CCADLP Cc1nc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)no1 ZINC000162185432 389415951 /nfs/dbraw/zinc/41/59/51/389415951.db2.gz STQUEYKSWKHPGK-UHFFFAOYSA-N 2 2 281.404 0.836 20 0 CCADLP Cc1nc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)no1 ZINC000162185432 389415952 /nfs/dbraw/zinc/41/59/52/389415952.db2.gz STQUEYKSWKHPGK-UHFFFAOYSA-N 2 2 281.404 0.836 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000422732696 389461046 /nfs/dbraw/zinc/46/10/46/389461046.db2.gz AHIDLHTYPYRCMV-KBMXLJTQSA-N 2 2 278.396 0.947 20 0 CCADLP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000422745485 389465436 /nfs/dbraw/zinc/46/54/36/389465436.db2.gz VGUHAHIJLIHSDL-ILXRZTDVSA-N 3 2 268.449 0.743 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000422746935 389466632 /nfs/dbraw/zinc/46/66/32/389466632.db2.gz XOJWBUHAMISSQJ-ZBFHGGJFSA-N 3 2 282.476 0.848 20 0 CCADLP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000422860558 389493781 /nfs/dbraw/zinc/49/37/81/389493781.db2.gz LOPYQPIKKLBDGC-RBSFLKMASA-N 3 2 268.449 0.743 20 0 CCADLP CCN(CC)S(=O)(=O)CC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422859888 389494329 /nfs/dbraw/zinc/49/43/29/389494329.db2.gz LFGPCNGQWJRLFW-RYUDHWBXSA-N 2 2 277.434 0.246 20 0 CCADLP O=C(NCC[C@@H]1CC[NH2+]C1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000422810669 389479637 /nfs/dbraw/zinc/47/96/37/389479637.db2.gz SDJKHCCMYXHAFC-DZGCQCFKSA-N 2 2 295.427 0.603 20 0 CCADLP O=C(NCC[C@@H]1CC[NH2+]C1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000422810669 389479640 /nfs/dbraw/zinc/47/96/40/389479640.db2.gz SDJKHCCMYXHAFC-DZGCQCFKSA-N 2 2 295.427 0.603 20 0 CCADLP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)C(=O)N1CCOCC1 ZINC000422846052 389489570 /nfs/dbraw/zinc/48/95/70/389489570.db2.gz DQNSGKJWUFXNFK-FRRDWIJNSA-N 2 2 269.389 0.354 20 0 CCADLP COCC[N@H+](C)CCC[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422846355 389490402 /nfs/dbraw/zinc/49/04/02/389490402.db2.gz PQIXDSOIGZCNLB-UONOGXRCSA-N 3 2 273.421 0.311 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422846355 389490406 /nfs/dbraw/zinc/49/04/06/389490406.db2.gz PQIXDSOIGZCNLB-UONOGXRCSA-N 3 2 273.421 0.311 20 0 CCADLP COCC[N@H+](C)CCC[NH2+][C@@H](C)C[C@@H]1COCCN1 ZINC000422846355 389490408 /nfs/dbraw/zinc/49/04/08/389490408.db2.gz PQIXDSOIGZCNLB-UONOGXRCSA-N 2 2 273.421 0.311 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)C[C@@H]1COCCN1 ZINC000422846355 389490411 /nfs/dbraw/zinc/49/04/11/389490411.db2.gz PQIXDSOIGZCNLB-UONOGXRCSA-N 2 2 273.421 0.311 20 0 CCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCC[NH+]1CCOCC1 ZINC000349697451 389421284 /nfs/dbraw/zinc/42/12/84/389421284.db2.gz WKUGVBQSUZQSEN-AWEZNQCLSA-N 2 2 298.431 0.300 20 0 CCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCC[NH+]1CCOCC1 ZINC000349697451 389421286 /nfs/dbraw/zinc/42/12/86/389421286.db2.gz WKUGVBQSUZQSEN-AWEZNQCLSA-N 2 2 298.431 0.300 20 0 CCADLP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000422851318 389492037 /nfs/dbraw/zinc/49/20/37/389492037.db2.gz FFWZBDXFFONNIE-ZNMIVQPWSA-N 2 2 295.427 0.731 20 0 CCADLP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000422851318 389492041 /nfs/dbraw/zinc/49/20/41/389492041.db2.gz FFWZBDXFFONNIE-ZNMIVQPWSA-N 2 2 295.427 0.731 20 0 CCADLP C[C@@H]([NH2+]CCN1CCOC[C@@H]1C)[C@H]1CCCC[NH2+]1 ZINC000422711247 389456089 /nfs/dbraw/zinc/45/60/89/389456089.db2.gz GUTYHQJPMRRVPL-BFHYXJOUSA-N 2 2 255.406 0.827 20 0 CCADLP CCOC(=O)C1([C@H](C)[NH2+]CC[N@H+](C)CC)CC[NH2+]CC1 ZINC000422714527 389457577 /nfs/dbraw/zinc/45/75/77/389457577.db2.gz LAAZUSXCDZBOBN-ZDUSSCGKSA-N 3 2 285.432 0.849 20 0 CCADLP CCOC(=O)C1([C@H](C)[NH2+]CC[N@@H+](C)CC)CC[NH2+]CC1 ZINC000422714527 389457581 /nfs/dbraw/zinc/45/75/81/389457581.db2.gz LAAZUSXCDZBOBN-ZDUSSCGKSA-N 3 2 285.432 0.849 20 0 CCADLP COC(=O)[C@H]1CN(C)CC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000411907193 389457860 /nfs/dbraw/zinc/45/78/60/389457860.db2.gz CTDRYSDYXBLSBN-AWEZNQCLSA-N 2 2 294.399 0.618 20 0 CCADLP COC(=O)[C@H]1CN(C)CC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000411907193 389457864 /nfs/dbraw/zinc/45/78/64/389457864.db2.gz CTDRYSDYXBLSBN-AWEZNQCLSA-N 2 2 294.399 0.618 20 0 CCADLP COC(=O)[C@@H]1CN(CCCn2cc[nH+]c2C)CC[N@H+](C)C1 ZINC000411907193 389457868 /nfs/dbraw/zinc/45/78/68/389457868.db2.gz CTDRYSDYXBLSBN-AWEZNQCLSA-N 2 2 294.399 0.618 20 0 CCADLP COC(=O)[C@@H]1CN(CCCn2cc[nH+]c2C)CC[N@@H+](C)C1 ZINC000411907193 389457873 /nfs/dbraw/zinc/45/78/73/389457873.db2.gz CTDRYSDYXBLSBN-AWEZNQCLSA-N 2 2 294.399 0.618 20 0 CCADLP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000422725912 389459948 /nfs/dbraw/zinc/45/99/48/389459948.db2.gz CMSKEFJJBJYGGF-OCCSQVGLSA-N 2 2 281.400 0.498 20 0 CCADLP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000422725912 389459951 /nfs/dbraw/zinc/45/99/51/389459951.db2.gz CMSKEFJJBJYGGF-OCCSQVGLSA-N 2 2 281.400 0.498 20 0 CCADLP C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)[C@H]1CCC[NH2+]1 ZINC000422918351 389505468 /nfs/dbraw/zinc/50/54/68/389505468.db2.gz HCTOJCCKQSKMFW-MLGHIDQZSA-N 2 2 251.374 0.726 20 0 CCADLP CN(C)C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173869541 389510219 /nfs/dbraw/zinc/51/02/19/389510219.db2.gz HEHBFECEOIXBDX-ZDUSSCGKSA-N 2 2 253.390 0.882 20 0 CCADLP CN(C)C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173869541 389510223 /nfs/dbraw/zinc/51/02/23/389510223.db2.gz HEHBFECEOIXBDX-ZDUSSCGKSA-N 2 2 253.390 0.882 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000422982164 389516331 /nfs/dbraw/zinc/51/63/31/389516331.db2.gz VTEYSMTYODFIIG-LSDHHAIUSA-N 3 2 268.449 0.602 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000422982164 389516335 /nfs/dbraw/zinc/51/63/35/389516335.db2.gz VTEYSMTYODFIIG-LSDHHAIUSA-N 3 2 268.449 0.602 20 0 CCADLP OCCC1(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CCC1 ZINC000422989574 389518168 /nfs/dbraw/zinc/51/81/68/389518168.db2.gz LWCVWRQVCPVXJR-UONOGXRCSA-N 2 2 268.401 0.896 20 0 CCADLP OC[C@@H](Cc1ccccc1)[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423045758 389526747 /nfs/dbraw/zinc/52/67/47/389526747.db2.gz CMKBARRWBVDLLI-IKGGRYGDSA-N 2 2 290.407 0.947 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(N2CCOCC2)CC1 ZINC000423070538 389530379 /nfs/dbraw/zinc/53/03/79/389530379.db2.gz CZQYEUSRORAQSL-UONOGXRCSA-N 2 2 283.416 0.208 20 0 CCADLP C[C@@H](NC[C@@H]1CCCC[N@@H+]1CCO)c1c[nH+]ccc1N ZINC000423142842 389541452 /nfs/dbraw/zinc/54/14/52/389541452.db2.gz BJNIYIGOHMDTQY-OLZOCXBDSA-N 2 2 278.400 0.992 20 0 CCADLP C[C@@H](NC[C@@H]1CCCC[N@H+]1CCO)c1c[nH+]ccc1N ZINC000423142842 389541456 /nfs/dbraw/zinc/54/14/56/389541456.db2.gz BJNIYIGOHMDTQY-OLZOCXBDSA-N 2 2 278.400 0.992 20 0 CCADLP C[C@@H]([NH2+]C[C@@H]1CCCCN1CCO)c1c[nH+]ccc1N ZINC000423142842 389541457 /nfs/dbraw/zinc/54/14/57/389541457.db2.gz BJNIYIGOHMDTQY-OLZOCXBDSA-N 2 2 278.400 0.992 20 0 CCADLP OCCC[N@@H+]1CCC[C@H](N[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000423149159 389544633 /nfs/dbraw/zinc/54/46/33/389544633.db2.gz XGWWWTJLSQGEER-JYJNAYRXSA-N 2 2 297.443 0.190 20 0 CCADLP OCCC[N@H+]1CCC[C@H](N[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000423149159 389544639 /nfs/dbraw/zinc/54/46/39/389544639.db2.gz XGWWWTJLSQGEER-JYJNAYRXSA-N 2 2 297.443 0.190 20 0 CCADLP OCCCN1CCC[C@H]([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000423149159 389544643 /nfs/dbraw/zinc/54/46/43/389544643.db2.gz XGWWWTJLSQGEER-JYJNAYRXSA-N 2 2 297.443 0.190 20 0 CCADLP CC(C)N(C)C(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335306155 389547677 /nfs/dbraw/zinc/54/76/77/389547677.db2.gz JCEYLSMVAZJGPG-CQSZACIVSA-N 2 2 253.390 0.881 20 0 CCADLP CC(C)N(C)C(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335306155 389547679 /nfs/dbraw/zinc/54/76/79/389547679.db2.gz JCEYLSMVAZJGPG-CQSZACIVSA-N 2 2 253.390 0.881 20 0 CCADLP CC(C)N(C)C(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000335306155 389547682 /nfs/dbraw/zinc/54/76/82/389547682.db2.gz JCEYLSMVAZJGPG-CQSZACIVSA-N 2 2 253.390 0.881 20 0 CCADLP CC(C)N(C)C(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000335306155 389547685 /nfs/dbraw/zinc/54/76/85/389547685.db2.gz JCEYLSMVAZJGPG-CQSZACIVSA-N 2 2 253.390 0.881 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NCCOCC)C1 ZINC000175987754 389551503 /nfs/dbraw/zinc/55/15/03/389551503.db2.gz ZZFUQLFCFZMGFQ-AWEZNQCLSA-N 2 2 285.432 0.803 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NCCOCC)C1 ZINC000175987754 389551506 /nfs/dbraw/zinc/55/15/06/389551506.db2.gz ZZFUQLFCFZMGFQ-AWEZNQCLSA-N 2 2 285.432 0.803 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCCOCC)C1 ZINC000175987754 389551509 /nfs/dbraw/zinc/55/15/09/389551509.db2.gz ZZFUQLFCFZMGFQ-AWEZNQCLSA-N 2 2 285.432 0.803 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCCOCC)C1 ZINC000175987754 389551513 /nfs/dbraw/zinc/55/15/13/389551513.db2.gz ZZFUQLFCFZMGFQ-AWEZNQCLSA-N 2 2 285.432 0.803 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1NCC1([NH3+])CCCCCC1 ZINC000423204543 389553101 /nfs/dbraw/zinc/55/31/01/389553101.db2.gz UPXXKUGTFSNOFW-OLZOCXBDSA-N 2 2 283.416 0.921 20 0 CCADLP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CC1([NH3+])CCCCCC1 ZINC000423204543 389553105 /nfs/dbraw/zinc/55/31/05/389553105.db2.gz UPXXKUGTFSNOFW-OLZOCXBDSA-N 2 2 283.416 0.921 20 0 CCADLP C[N@@H+]1CCC[C@H]1C[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000278943162 389564683 /nfs/dbraw/zinc/56/46/83/389564683.db2.gz YEMHKSFJSOQJOG-LBPRGKRZSA-N 2 2 287.363 0.966 20 0 CCADLP C[N@H+]1CCC[C@H]1C[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000278943162 389564686 /nfs/dbraw/zinc/56/46/86/389564686.db2.gz YEMHKSFJSOQJOG-LBPRGKRZSA-N 2 2 287.363 0.966 20 0 CCADLP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000422866223 389495970 /nfs/dbraw/zinc/49/59/70/389495970.db2.gz QDTDBQYYQTWJNE-AEGPPILISA-N 2 2 295.427 0.873 20 0 CCADLP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000422866223 389495973 /nfs/dbraw/zinc/49/59/73/389495973.db2.gz QDTDBQYYQTWJNE-AEGPPILISA-N 2 2 295.427 0.873 20 0 CCADLP CC(=O)N1CCN(CC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000422866788 389496456 /nfs/dbraw/zinc/49/64/56/389496456.db2.gz QXTBXJVDSKCWGA-ZFWWWQNUSA-N 2 2 282.432 0.271 20 0 CCADLP CC[NH+]1CCN(CCC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422871066 389497513 /nfs/dbraw/zinc/49/75/13/389497513.db2.gz ZQQPUEJBSNMKOD-HUUCEWRRSA-N 3 2 268.449 0.602 20 0 CCADLP CC(C)([NH3+])CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000422877759 389498425 /nfs/dbraw/zinc/49/84/25/389498425.db2.gz IFLDGLIVZYAYPY-UHFFFAOYSA-N 2 2 259.313 0.734 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000422880498 389498539 /nfs/dbraw/zinc/49/85/39/389498539.db2.gz OBMYKPIRJSBLSF-QLFBSQMISA-N 3 2 296.459 0.517 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000422880498 389498542 /nfs/dbraw/zinc/49/85/42/389498542.db2.gz OBMYKPIRJSBLSF-QLFBSQMISA-N 3 2 296.459 0.517 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCC[N@H+](CC)C(C)C ZINC000422878989 389498734 /nfs/dbraw/zinc/49/87/34/389498734.db2.gz LQNNIZFPPGWBSV-CHWSQXEVSA-N 2 2 271.405 0.600 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCC[N@@H+](CC)C(C)C ZINC000422878989 389498737 /nfs/dbraw/zinc/49/87/37/389498737.db2.gz LQNNIZFPPGWBSV-CHWSQXEVSA-N 2 2 271.405 0.600 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@]1(N2CCOCC2)CCSC1 ZINC000422904437 389503254 /nfs/dbraw/zinc/50/32/54/389503254.db2.gz PYDIQGPMCAXGBY-QLFBSQMISA-N 2 2 299.484 0.782 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCC[N@H+](C)[C@@H](C)CC ZINC000422905402 389503765 /nfs/dbraw/zinc/50/37/65/389503765.db2.gz IHHLFOYSCAQAPB-YNEHKIRRSA-N 2 2 271.405 0.600 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCC[N@@H+](C)[C@@H](C)CC ZINC000422905402 389503767 /nfs/dbraw/zinc/50/37/67/389503767.db2.gz IHHLFOYSCAQAPB-YNEHKIRRSA-N 2 2 271.405 0.600 20 0 CCADLP CC[C@@H](C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1)[NH+](C)C ZINC000178682395 389615367 /nfs/dbraw/zinc/61/53/67/389615367.db2.gz KMIDMKPTPCTEAH-OLZOCXBDSA-N 2 2 299.415 0.422 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000414657336 389624534 /nfs/dbraw/zinc/62/45/34/389624534.db2.gz OIGNRBFNYVPAJX-HUUCEWRRSA-N 3 2 296.459 0.504 20 0 CCADLP CC[C@@H](C)NC(=O)C[NH+]1CCN(C[C@@H]([NH3+])CC(C)C)CC1 ZINC000414681227 389625586 /nfs/dbraw/zinc/62/55/86/389625586.db2.gz VOBMQKASHYPQKC-CABCVRRESA-N 2 2 298.475 0.892 20 0 CCADLP C[C@@H]1CN(C(=O)C2(C[NH3+])CCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000178860634 389626176 /nfs/dbraw/zinc/62/61/76/389626176.db2.gz NKSDZZMJNXBVCL-KGLIPLIRSA-N 2 2 295.427 0.685 20 0 CCADLP C[C@H]1CCC[C@H](NC(=O)CN2CC[NH+](CCC[NH3+])CC2)C1 ZINC000414691308 389627192 /nfs/dbraw/zinc/62/71/92/389627192.db2.gz ITHAYFYSPKXVFB-GJZGRUSLSA-N 2 2 296.459 0.648 20 0 CCADLP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CC([NH3+])C1 ZINC000414778374 389636206 /nfs/dbraw/zinc/63/62/06/389636206.db2.gz PVKDMACVMPFFBR-UHFFFAOYSA-N 3 2 290.415 0.150 20 0 CCADLP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CC([NH3+])C1 ZINC000414778374 389636209 /nfs/dbraw/zinc/63/62/09/389636209.db2.gz PVKDMACVMPFFBR-UHFFFAOYSA-N 3 2 290.415 0.150 20 0 CCADLP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC000414783487 389637681 /nfs/dbraw/zinc/63/76/81/389637681.db2.gz JUOHEOYXIYXAOK-ZJUUUORDSA-N 2 2 286.278 0.678 20 0 CCADLP COCC[NH2+]CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000414888398 389644111 /nfs/dbraw/zinc/64/41/11/389644111.db2.gz RNTLZWYZTJXRFF-YNEHKIRRSA-N 2 2 254.374 0.770 20 0 CCADLP C[C@H]1CC[NH2+][C@H](C(=O)N=c2ccn(CC[NH+](C)C)[nH]2)C1 ZINC000423365286 389574056 /nfs/dbraw/zinc/57/40/56/389574056.db2.gz BAEFZOOEJNJZFI-RYUDHWBXSA-N 2 2 279.388 0.193 20 0 CCADLP CC1(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)C[NH2+]C1 ZINC000423402659 389580121 /nfs/dbraw/zinc/58/01/21/389580121.db2.gz ROATWBNSJXJGRC-UHFFFAOYSA-N 2 2 289.379 0.646 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423430586 389586008 /nfs/dbraw/zinc/58/60/08/389586008.db2.gz LDBCQTMSRIBLCM-UQOMUDLDSA-N 3 2 267.417 0.731 20 0 CCADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H](C)C1 ZINC000423433013 389586500 /nfs/dbraw/zinc/58/65/00/389586500.db2.gz MRYUURDYFUULFK-OWYFMNJBSA-N 3 2 281.444 0.931 20 0 CCADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H](C)C1 ZINC000423433013 389586504 /nfs/dbraw/zinc/58/65/04/389586504.db2.gz MRYUURDYFUULFK-OWYFMNJBSA-N 3 2 281.444 0.931 20 0 CCADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)Nc3ccncc3)C[C@@H]12 ZINC000351479008 389586719 /nfs/dbraw/zinc/58/67/19/389586719.db2.gz QPUFWAVNVAWVDO-RAIGVLPGSA-N 2 2 260.341 0.111 20 0 CCADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)Nc3ccncc3)C[C@@H]12 ZINC000351479008 389586720 /nfs/dbraw/zinc/58/67/20/389586720.db2.gz QPUFWAVNVAWVDO-RAIGVLPGSA-N 2 2 260.341 0.111 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000423460060 389590562 /nfs/dbraw/zinc/59/05/62/389590562.db2.gz INPWYNYDPUYNMS-YUELXQCFSA-N 2 2 295.427 0.683 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000423460060 389590566 /nfs/dbraw/zinc/59/05/66/389590566.db2.gz INPWYNYDPUYNMS-YUELXQCFSA-N 2 2 295.427 0.683 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000351490662 389591873 /nfs/dbraw/zinc/59/18/73/389591873.db2.gz IQTZFZWJWFLVIS-WCQGTBRESA-N 2 2 262.357 0.914 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000351490662 389591874 /nfs/dbraw/zinc/59/18/74/389591874.db2.gz IQTZFZWJWFLVIS-WCQGTBRESA-N 2 2 262.357 0.914 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H]1[C@@H](O)C(F)(F)F)C1CC1 ZINC000351494263 389593455 /nfs/dbraw/zinc/59/34/55/389593455.db2.gz XRYVBBVIKZORBC-QJPTWQEYSA-N 2 2 296.333 0.829 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F)C1CC1 ZINC000351494263 389593459 /nfs/dbraw/zinc/59/34/59/389593459.db2.gz XRYVBBVIKZORBC-QJPTWQEYSA-N 2 2 296.333 0.829 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F)C1CC1 ZINC000351494263 389593462 /nfs/dbraw/zinc/59/34/62/389593462.db2.gz XRYVBBVIKZORBC-QJPTWQEYSA-N 2 2 296.333 0.829 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H]1[C@@H](O)C(F)(F)F)C1CC1 ZINC000351494264 389593930 /nfs/dbraw/zinc/59/39/30/389593930.db2.gz XRYVBBVIKZORBC-SDDRHHMPSA-N 2 2 296.333 0.829 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F)C1CC1 ZINC000351494264 389593933 /nfs/dbraw/zinc/59/39/33/389593933.db2.gz XRYVBBVIKZORBC-SDDRHHMPSA-N 2 2 296.333 0.829 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F)C1CC1 ZINC000351494264 389593935 /nfs/dbraw/zinc/59/39/35/389593935.db2.gz XRYVBBVIKZORBC-SDDRHHMPSA-N 2 2 296.333 0.829 20 0 CCADLP CC(C)[NH+]1CCN(CCC[NH+]2CCS(=O)CC2)CC1 ZINC000351493505 389594001 /nfs/dbraw/zinc/59/40/01/389594001.db2.gz OQSKWNGAKGXBJB-UHFFFAOYSA-N 2 2 287.473 0.467 20 0 CCADLP Cc1ccc(CCC[N@@H+]2CC[C@@H](NS(C)(=O)=O)C2)c[nH+]1 ZINC000351496478 389594753 /nfs/dbraw/zinc/59/47/53/389594753.db2.gz WOACPXSLYNJTPB-CQSZACIVSA-N 2 2 297.424 0.946 20 0 CCADLP Cc1ccc(CCC[N@H+]2CC[C@@H](NS(C)(=O)=O)C2)c[nH+]1 ZINC000351496478 389594755 /nfs/dbraw/zinc/59/47/55/389594755.db2.gz WOACPXSLYNJTPB-CQSZACIVSA-N 2 2 297.424 0.946 20 0 CCADLP CNC(=O)C[C@@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423500114 389595275 /nfs/dbraw/zinc/59/52/75/389595275.db2.gz CTIVEFASVWZYNW-KWCYVHTRSA-N 2 2 261.369 0.856 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351501340 389597295 /nfs/dbraw/zinc/59/72/95/389597295.db2.gz XUHDBHSHSIXLGY-RHYQMDGZSA-N 2 2 275.356 0.473 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351501340 389597301 /nfs/dbraw/zinc/59/73/01/389597301.db2.gz XUHDBHSHSIXLGY-RHYQMDGZSA-N 2 2 275.356 0.473 20 0 CCADLP COCC[NH+]1CCC([NH2+][C@H]2CCCN(C)C2=O)CC1 ZINC000351890075 389708828 /nfs/dbraw/zinc/70/88/28/389708828.db2.gz MWIPYCCDVBCZKD-ZDUSSCGKSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H](C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)[NH+]1CCOCC1 ZINC000428724191 389715729 /nfs/dbraw/zinc/71/57/29/389715729.db2.gz VITBKYHRZGQVFG-KFWWJZLASA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1CCC[NH+]1CCOCC1 ZINC000351933105 389717606 /nfs/dbraw/zinc/71/76/06/389717606.db2.gz AAZJYZUQVCPBFR-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1CCC[NH+]1CCOCC1 ZINC000351933105 389717611 /nfs/dbraw/zinc/71/76/11/389717611.db2.gz AAZJYZUQVCPBFR-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP CCc1ncc(C[NH2+]C[C@H]2C[NH2+]CCN2C)s1 ZINC000414973484 389650456 /nfs/dbraw/zinc/65/04/56/389650456.db2.gz ZTEZQKKMIGZOKH-SNVBAGLBSA-N 2 2 254.403 0.699 20 0 CCADLP CC(C)N(C)c1ccc(C[NH2+]C[C@H]2C[NH2+]CCN2C)cn1 ZINC000414982589 389650603 /nfs/dbraw/zinc/65/06/03/389650603.db2.gz ZDUJVBQXTDKDJQ-OAHLLOKOSA-N 2 2 291.443 0.919 20 0 CCADLP COc1cc(C[N@H+](C)C[C@H](O)C[NH3+])cc2c1OCO2 ZINC000415048019 389654536 /nfs/dbraw/zinc/65/45/36/389654536.db2.gz BQSGDCFZIYTFRN-SNVBAGLBSA-N 2 2 268.313 0.175 20 0 CCADLP COc1cc(C[N@@H+](C)C[C@H](O)C[NH3+])cc2c1OCO2 ZINC000415048019 389654538 /nfs/dbraw/zinc/65/45/38/389654538.db2.gz BQSGDCFZIYTFRN-SNVBAGLBSA-N 2 2 268.313 0.175 20 0 CCADLP COCC[NH2+]CCNC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000179384918 389654988 /nfs/dbraw/zinc/65/49/88/389654988.db2.gz BQIZHQZSJGGAOT-UHFFFAOYSA-N 2 2 290.367 0.697 20 0 CCADLP Cc1nc2ccccn2c1C[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000415095801 389658821 /nfs/dbraw/zinc/65/88/21/389658821.db2.gz OHECHJJXBXFKGX-LBPRGKRZSA-N 2 2 260.341 0.721 20 0 CCADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000415098603 389658871 /nfs/dbraw/zinc/65/88/71/389658871.db2.gz WFGSYNCZMQZGGP-MCIONIFRSA-N 3 2 255.406 0.875 20 0 CCADLP NC(=O)[C@H](C[NH2+][C@@H]1CC[NH2+]C1)Cc1ccc(F)cc1 ZINC000415112512 389660848 /nfs/dbraw/zinc/66/08/48/389660848.db2.gz SAZKBCQEXIIMLH-WCQYABFASA-N 2 2 265.332 0.421 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H](C)C1 ZINC000336630038 389661956 /nfs/dbraw/zinc/66/19/56/389661956.db2.gz XZPWIFOMYPORDC-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H](C)C1 ZINC000336630038 389661957 /nfs/dbraw/zinc/66/19/57/389661957.db2.gz XZPWIFOMYPORDC-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@H]2CC[C@@H](C)S(=O)(=O)C2)n1C ZINC000657640551 413041575 /nfs/dbraw/zinc/04/15/75/413041575.db2.gz YDXJYFMSKTVGIN-KOLCDFICSA-N 2 2 271.386 0.784 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]C1(C(N)=O)CCCCC1)C1CC1 ZINC000351721166 389666879 /nfs/dbraw/zinc/66/68/79/389666879.db2.gz UJZBDPLMSYEDGS-GFCCVEGCSA-N 2 2 269.389 0.219 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]C1(C(N)=O)CCCCC1)C1CC1 ZINC000351721166 389666881 /nfs/dbraw/zinc/66/68/81/389666881.db2.gz UJZBDPLMSYEDGS-GFCCVEGCSA-N 2 2 269.389 0.219 20 0 CCADLP C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@H]2C1 ZINC000427784195 389682769 /nfs/dbraw/zinc/68/27/69/389682769.db2.gz XUEIHVTYGQPHMC-RWMBFGLXSA-N 2 2 274.368 0.466 20 0 CCADLP C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@H]2C1 ZINC000427784195 389682773 /nfs/dbraw/zinc/68/27/73/389682773.db2.gz XUEIHVTYGQPHMC-RWMBFGLXSA-N 2 2 274.368 0.466 20 0 CCADLP CC(C)[C@H](C(=O)N[C@H]1CCn2cc[nH+]c2C1)[NH+](C)C ZINC000428361373 389694147 /nfs/dbraw/zinc/69/41/47/389694147.db2.gz UEUKBXOXFLJDMM-WCQYABFASA-N 2 2 264.373 0.900 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ncccn2)C1 ZINC000351854820 389699258 /nfs/dbraw/zinc/69/92/58/389699258.db2.gz RSRUFDYNMWVTRJ-GARJFASQSA-N 2 2 263.345 0.473 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ncccn2)C1 ZINC000351854820 389699261 /nfs/dbraw/zinc/69/92/61/389699261.db2.gz RSRUFDYNMWVTRJ-GARJFASQSA-N 2 2 263.345 0.473 20 0 CCADLP CC[C@H](C(=O)N1CC[NH+](C[C@H](C)O)CC1)[NH+](CC)CC ZINC000428516045 389704313 /nfs/dbraw/zinc/70/43/13/389704313.db2.gz PUAFHTIRWQPWAZ-UONOGXRCSA-N 2 2 285.432 0.632 20 0 CCADLP CO[C@H]1CCCC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000429528114 389759111 /nfs/dbraw/zinc/75/91/11/389759111.db2.gz OEECKGYQNFGWAJ-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCCO1 ZINC000379303596 389761524 /nfs/dbraw/zinc/76/15/24/389761524.db2.gz RBWDDOGMFHNBFD-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCCO1 ZINC000379303594 389761575 /nfs/dbraw/zinc/76/15/75/389761575.db2.gz RBWDDOGMFHNBFD-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCS[C@H](C)CC1 ZINC000379466410 389762036 /nfs/dbraw/zinc/76/20/36/389762036.db2.gz JIFFIQDNWMGIPN-OLZOCXBDSA-N 2 2 276.446 0.753 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCS[C@H](C)CC1 ZINC000379466410 389762038 /nfs/dbraw/zinc/76/20/38/389762038.db2.gz JIFFIQDNWMGIPN-OLZOCXBDSA-N 2 2 276.446 0.753 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCS[C@H](C)CC1 ZINC000379466410 389762040 /nfs/dbraw/zinc/76/20/40/389762040.db2.gz JIFFIQDNWMGIPN-OLZOCXBDSA-N 2 2 276.446 0.753 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCS[C@H](C)CC1 ZINC000379466410 389762042 /nfs/dbraw/zinc/76/20/42/389762042.db2.gz JIFFIQDNWMGIPN-OLZOCXBDSA-N 2 2 276.446 0.753 20 0 CCADLP CC(C)(CNC(=O)N[C@H]1CC[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000416832042 389774708 /nfs/dbraw/zinc/77/47/08/389774708.db2.gz UEZAGQYXENKYSN-OLZOCXBDSA-N 2 2 298.431 0.524 20 0 CCADLP CC[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)CCOC)C[C@@H](CC)O1 ZINC000398688690 389783733 /nfs/dbraw/zinc/78/37/33/389783733.db2.gz QYZNERWUWBXDAP-RRFJBIMHSA-N 2 2 288.432 0.815 20 0 CCADLP CC[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C[C@@H](CC)O1 ZINC000398688690 389783734 /nfs/dbraw/zinc/78/37/34/389783734.db2.gz QYZNERWUWBXDAP-RRFJBIMHSA-N 2 2 288.432 0.815 20 0 CCADLP COCC[NH2+]CCNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000417012036 389789586 /nfs/dbraw/zinc/78/95/86/389789586.db2.gz VCOUQWZMBDZXDJ-UHFFFAOYSA-N 2 2 295.387 0.183 20 0 CCADLP C[C@H]1CN(C(=O)NCc2ccc[nH+]c2N(C)C)CC[NH2+]1 ZINC000417024086 389790314 /nfs/dbraw/zinc/79/03/14/389790314.db2.gz WVQWFTZUDDKEKV-NSHDSACASA-N 2 2 277.372 0.651 20 0 CCADLP CCC[NH2+]CCNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000417020746 389790372 /nfs/dbraw/zinc/79/03/72/389790372.db2.gz HTLUKQDZGXGABD-GFCCVEGCSA-N 2 2 272.393 0.006 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)CCCC[NH3+] ZINC000417041579 389791707 /nfs/dbraw/zinc/79/17/07/389791707.db2.gz WKAJXFQGRZBXCW-QWHCGFSZSA-N 2 2 286.420 0.524 20 0 CCADLP CN1CCC2(CC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)CC2)C1=O ZINC000352340244 389793044 /nfs/dbraw/zinc/79/30/44/389793044.db2.gz CUEMNYQPIBZPKT-AWEZNQCLSA-N 2 2 295.427 0.386 20 0 CCADLP CN1CCC2(CC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)CC2)C1=O ZINC000352340244 389793047 /nfs/dbraw/zinc/79/30/47/389793047.db2.gz CUEMNYQPIBZPKT-AWEZNQCLSA-N 2 2 295.427 0.386 20 0 CCADLP [NH3+]C[C@@H](NC(=O)NCCCNc1cccc[nH+]1)C1CC1 ZINC000417075196 389793549 /nfs/dbraw/zinc/79/35/49/389793549.db2.gz JJUXPQBBLRVNPE-GFCCVEGCSA-N 2 2 277.372 0.920 20 0 CCADLP [NH3+]C[C@H](NC(=O)NCCCNc1cccc[nH+]1)C1CC1 ZINC000417075198 389793940 /nfs/dbraw/zinc/79/39/40/389793940.db2.gz JJUXPQBBLRVNPE-LBPRGKRZSA-N 2 2 277.372 0.920 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](CCCn2cc[nH+]c2)C[C@@H](C)O1 ZINC000183186965 389727564 /nfs/dbraw/zinc/72/75/64/389727564.db2.gz JWVBDFBUYDSRKD-NEPJUHHUSA-N 2 2 267.329 0.536 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)C[C@@H](C)O1 ZINC000183186965 389727568 /nfs/dbraw/zinc/72/75/68/389727568.db2.gz JWVBDFBUYDSRKD-NEPJUHHUSA-N 2 2 267.329 0.536 20 0 CCADLP CCOC1CC([N@H+](C)C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351984936 389729985 /nfs/dbraw/zinc/72/99/85/389729985.db2.gz ZNUNPTQEBIISHM-ROKHWSDSSA-N 2 2 256.390 0.941 20 0 CCADLP CCOC1CC([N@@H+](C)C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351984936 389729988 /nfs/dbraw/zinc/72/99/88/389729988.db2.gz ZNUNPTQEBIISHM-ROKHWSDSSA-N 2 2 256.390 0.941 20 0 CCADLP CCOC1CC([NH+](C)C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000351984936 389729989 /nfs/dbraw/zinc/72/99/89/389729989.db2.gz ZNUNPTQEBIISHM-ROKHWSDSSA-N 2 2 256.390 0.941 20 0 CCADLP CCOC1CC([NH+](C)C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351984936 389729992 /nfs/dbraw/zinc/72/99/92/389729992.db2.gz ZNUNPTQEBIISHM-ROKHWSDSSA-N 2 2 256.390 0.941 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430553878 389806896 /nfs/dbraw/zinc/80/68/96/389806896.db2.gz DWDWJXQEIXJGSI-RYUDHWBXSA-N 2 2 257.378 0.198 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430553878 389806898 /nfs/dbraw/zinc/80/68/98/389806898.db2.gz DWDWJXQEIXJGSI-RYUDHWBXSA-N 2 2 257.378 0.198 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C)CC1 ZINC000430563795 389807849 /nfs/dbraw/zinc/80/78/49/389807849.db2.gz KAPTUIKDTVODFL-HNNXBMFYSA-N 3 2 284.448 0.550 20 0 CCADLP C[C@](C[NH3+])([NH2+]CC(=O)NCC(F)(F)F)C1CC1 ZINC000430580568 389809266 /nfs/dbraw/zinc/80/92/66/389809266.db2.gz SBIMJIAOIMXREE-SECBINFHSA-N 2 2 253.268 0.382 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC000430595500 389810806 /nfs/dbraw/zinc/81/08/06/389810806.db2.gz MMDHPVRSKKWSRB-GFCCVEGCSA-N 2 2 277.372 0.828 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC000430595500 389810808 /nfs/dbraw/zinc/81/08/08/389810808.db2.gz MMDHPVRSKKWSRB-GFCCVEGCSA-N 2 2 277.372 0.828 20 0 CCADLP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000417411179 389814185 /nfs/dbraw/zinc/81/41/85/389814185.db2.gz CSWRMFHPLDRLLB-QWHCGFSZSA-N 2 2 298.431 0.394 20 0 CCADLP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000417411179 389814187 /nfs/dbraw/zinc/81/41/87/389814187.db2.gz CSWRMFHPLDRLLB-QWHCGFSZSA-N 2 2 298.431 0.394 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)N2CCC[C@@H]([NH3+])C2)CCO1 ZINC000417430666 389815483 /nfs/dbraw/zinc/81/54/83/389815483.db2.gz XWJJSWOEKXIJNM-GFCCVEGCSA-N 2 2 284.404 0.230 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)N2CCC[C@@H]([NH3+])C2)CCO1 ZINC000417430666 389815487 /nfs/dbraw/zinc/81/54/87/389815487.db2.gz XWJJSWOEKXIJNM-GFCCVEGCSA-N 2 2 284.404 0.230 20 0 CCADLP C[NH+](C)Cc1nc(C2(NC(=O)C[NH3+])CCCCCC2)no1 ZINC000430688925 389817925 /nfs/dbraw/zinc/81/79/25/389817925.db2.gz BBFALJJXXGFTOA-UHFFFAOYSA-N 2 2 295.387 0.756 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000417504099 389822756 /nfs/dbraw/zinc/82/27/56/389822756.db2.gz LEIWVTNKJQPAPN-LBPRGKRZSA-N 2 2 284.404 0.134 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000417504099 389822757 /nfs/dbraw/zinc/82/27/57/389822757.db2.gz LEIWVTNKJQPAPN-LBPRGKRZSA-N 2 2 284.404 0.134 20 0 CCADLP C[C@H]([C@H](C)NC(=O)NC(C)(C)C[NH3+])[NH+]1CCOCC1 ZINC000417524497 389826041 /nfs/dbraw/zinc/82/60/41/389826041.db2.gz SKQARNPIYMNIFQ-WDEREUQCSA-N 2 2 272.393 0.132 20 0 CCADLP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000417521692 389826117 /nfs/dbraw/zinc/82/61/17/389826117.db2.gz POYPRAQVMNAIFW-BJDJZHNGSA-N 2 2 272.393 0.131 20 0 CCADLP C[C@@H](NC(=O)N[C@@H](C)[C@H](C)[NH3+])[C@@H](C)[NH+]1CCOCC1 ZINC000417521702 389826247 /nfs/dbraw/zinc/82/62/47/389826247.db2.gz POYPRAQVMNAIFW-NNYUYHANSA-N 2 2 272.393 0.131 20 0 CCADLP C[C@@H]1CN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)[C@@H](C)C[NH2+]1 ZINC000417527055 389827049 /nfs/dbraw/zinc/82/70/49/389827049.db2.gz NRWOWWIQGWRELZ-AGIUHOORSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H]1CN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)[C@@H](C)C[NH2+]1 ZINC000417527055 389827051 /nfs/dbraw/zinc/82/70/51/389827051.db2.gz NRWOWWIQGWRELZ-AGIUHOORSA-N 2 2 284.404 0.099 20 0 CCADLP C[NH2+]C[C@H]1CCCN1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000417534111 389827886 /nfs/dbraw/zinc/82/78/86/389827886.db2.gz YMEIUVYEUGAOPE-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP C[NH2+]C[C@H]1CCCN1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000417534111 389827890 /nfs/dbraw/zinc/82/78/90/389827890.db2.gz YMEIUVYEUGAOPE-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C1([NH3+])CCCC1 ZINC000430877688 389830610 /nfs/dbraw/zinc/83/06/10/389830610.db2.gz DMKOSGZQANVDFU-NSHDSACASA-N 2 2 255.362 0.095 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C1([NH3+])CCCC1 ZINC000430877688 389830613 /nfs/dbraw/zinc/83/06/13/389830613.db2.gz DMKOSGZQANVDFU-NSHDSACASA-N 2 2 255.362 0.095 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000430871286 389830773 /nfs/dbraw/zinc/83/07/73/389830773.db2.gz CIIOULMFGDDFJV-LLVKDONJSA-N 2 2 257.378 0.197 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000430871286 389830775 /nfs/dbraw/zinc/83/07/75/389830775.db2.gz CIIOULMFGDDFJV-LLVKDONJSA-N 2 2 257.378 0.197 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC[C@@H]1[NH3+] ZINC000430921034 389835265 /nfs/dbraw/zinc/83/52/65/389835265.db2.gz RDVNCRDSVMZKCF-LXTVHRRPSA-N 2 2 295.427 0.826 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC[C@@H]1[NH3+] ZINC000430921034 389835269 /nfs/dbraw/zinc/83/52/69/389835269.db2.gz RDVNCRDSVMZKCF-LXTVHRRPSA-N 2 2 295.427 0.826 20 0 CCADLP COc1coc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1=O ZINC000430963157 389840746 /nfs/dbraw/zinc/84/07/46/389840746.db2.gz SHCLBOVNFPPUKW-KOLCDFICSA-N 2 2 252.314 0.818 20 0 CCADLP COc1coc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1=O ZINC000430963157 389840748 /nfs/dbraw/zinc/84/07/48/389840748.db2.gz SHCLBOVNFPPUKW-KOLCDFICSA-N 2 2 252.314 0.818 20 0 CCADLP CCOCCCNC(=O)[C@@H](C)[NH+]1CCC([NH2+]C)CC1 ZINC000430962526 389841255 /nfs/dbraw/zinc/84/12/55/389841255.db2.gz HJZXUWUABMYZCN-GFCCVEGCSA-N 2 2 271.405 0.602 20 0 CCADLP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430959904 389841321 /nfs/dbraw/zinc/84/13/21/389841321.db2.gz FIRHBFQMNXRGQR-QLFBSQMISA-N 2 2 297.443 0.979 20 0 CCADLP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430959904 389841325 /nfs/dbraw/zinc/84/13/25/389841325.db2.gz FIRHBFQMNXRGQR-QLFBSQMISA-N 2 2 297.443 0.979 20 0 CCADLP COCC[C@]1(C(=O)NCc2[nH]c[nH+]c2C)CC[NH2+]C1 ZINC000431005452 389844300 /nfs/dbraw/zinc/84/43/00/389844300.db2.gz MRPLGLBWVKBYGL-CYBMUJFWSA-N 2 2 266.345 0.351 20 0 CCADLP CC[C@H](Cn1cncn1)[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000353265591 389848312 /nfs/dbraw/zinc/84/83/12/389848312.db2.gz YWVCPNUGOVRIDC-ZIAGYGMSSA-N 2 2 281.404 0.615 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000417792399 389849795 /nfs/dbraw/zinc/84/97/95/389849795.db2.gz YLVQFGIDDBLVPE-WRWORJQWSA-N 2 2 257.284 0.818 20 0 CCADLP [NH3+][C@H](C(=O)N1CC[NH2+]CC1)c1c(F)cccc1F ZINC000417815778 389851693 /nfs/dbraw/zinc/85/16/93/389851693.db2.gz SAGMOZAZEUNLAZ-NSHDSACASA-N 2 2 255.268 0.396 20 0 CCADLP C[C@@H](CC[NH3+])NC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000417817375 389852163 /nfs/dbraw/zinc/85/21/63/389852163.db2.gz VMXMXJANNIJVQY-CPCISQLKSA-N 2 2 257.284 0.818 20 0 CCADLP C[C@@H]([NH3+])C[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000442652505 389852688 /nfs/dbraw/zinc/85/26/88/389852688.db2.gz UBHRVZLXCVQGLF-LLVKDONJSA-N 2 2 252.362 0.402 20 0 CCADLP C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)C[C@H](C)[NH3+] ZINC000442664158 389854613 /nfs/dbraw/zinc/85/46/13/389854613.db2.gz VSTJOHKIGLIEHA-VHSXEESVSA-N 2 2 271.386 0.674 20 0 CCADLP C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)C[C@H](C)[NH3+] ZINC000442664158 389854617 /nfs/dbraw/zinc/85/46/17/389854617.db2.gz VSTJOHKIGLIEHA-VHSXEESVSA-N 2 2 271.386 0.674 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000417842809 389856053 /nfs/dbraw/zinc/85/60/53/389856053.db2.gz UUYRQURRKYSBBU-VWYCJHECSA-N 2 2 275.343 0.736 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+](CCO)[C@H]1CCCSC1)C1CC1 ZINC000433186540 389904436 /nfs/dbraw/zinc/90/44/36/389904436.db2.gz FHJBBJIKRFVMTO-KBPBESRZSA-N 2 2 288.457 0.631 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+](CCO)[C@H]1CCCSC1)C1CC1 ZINC000433186540 389904439 /nfs/dbraw/zinc/90/44/39/389904439.db2.gz FHJBBJIKRFVMTO-KBPBESRZSA-N 2 2 288.457 0.631 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+](CCO)[C@H]1CCCSC1)C1CC1 ZINC000433186540 389904442 /nfs/dbraw/zinc/90/44/42/389904442.db2.gz FHJBBJIKRFVMTO-KBPBESRZSA-N 2 2 288.457 0.631 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+](CCO)[C@H]1CCCSC1)C1CC1 ZINC000433186540 389904445 /nfs/dbraw/zinc/90/44/45/389904445.db2.gz FHJBBJIKRFVMTO-KBPBESRZSA-N 2 2 288.457 0.631 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)C[C@H]1[NH+]1CCOCC1 ZINC000444271200 389898731 /nfs/dbraw/zinc/89/87/31/389898731.db2.gz XMYVATZQBSNAMQ-HLPPOEQASA-N 2 2 293.411 0.165 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000433146822 389901201 /nfs/dbraw/zinc/90/12/01/389901201.db2.gz MOVQFCFWGSQCFP-HZSPNIEDSA-N 2 2 283.416 0.396 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000447438780 389955452 /nfs/dbraw/zinc/95/54/52/389955452.db2.gz HWZAILZLOLFSQX-QWRGUYRKSA-N 2 2 266.345 0.480 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000447659749 389962109 /nfs/dbraw/zinc/96/21/09/389962109.db2.gz PRDMNNOLTPPZDQ-DZGCQCFKSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000447659749 389962110 /nfs/dbraw/zinc/96/21/10/389962110.db2.gz PRDMNNOLTPPZDQ-DZGCQCFKSA-N 2 2 295.427 0.792 20 0 CCADLP C[NH2+]CCC[N@H+](CCCOC)[C@H]1CCS(=O)(=O)C1 ZINC000435869338 389964568 /nfs/dbraw/zinc/96/45/68/389964568.db2.gz JFRTVADAUKZGIG-LBPRGKRZSA-N 2 2 278.418 0.122 20 0 CCADLP C[NH2+]CCC[N@@H+](CCCOC)[C@H]1CCS(=O)(=O)C1 ZINC000435869338 389964570 /nfs/dbraw/zinc/96/45/70/389964570.db2.gz JFRTVADAUKZGIG-LBPRGKRZSA-N 2 2 278.418 0.122 20 0 CCADLP CCCCNc1cc(N2CC[NH2+][C@H](C)C2)nc(N)[nH+]1 ZINC000420211552 389966372 /nfs/dbraw/zinc/96/63/72/389966372.db2.gz SSDOZAZTNSBYRY-SNVBAGLBSA-N 2 2 264.377 0.899 20 0 CCADLP [NH3+][C@@H]1CCCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)C1 ZINC000420238652 389970961 /nfs/dbraw/zinc/97/09/61/389970961.db2.gz ODVRQHXGNFQJIQ-OLZOCXBDSA-N 2 2 291.399 0.755 20 0 CCADLP C[C@@H](O)[C@@H]1CCN(c2cc(N3CC[NH2+][C@@H](C)C3)nc[nH+]2)C1 ZINC000420240957 389971345 /nfs/dbraw/zinc/97/13/45/389971345.db2.gz SFRGVOPCAODUDB-YNEHKIRRSA-N 2 2 291.399 0.482 20 0 CCADLP [NH3+]CCCCNc1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000420245397 389972408 /nfs/dbraw/zinc/97/24/08/389972408.db2.gz ZRCPKRVQCOBZOH-LLVKDONJSA-N 2 2 265.361 0.589 20 0 CCADLP [NH3+]CCCCNc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000420245397 389972410 /nfs/dbraw/zinc/97/24/10/389972410.db2.gz ZRCPKRVQCOBZOH-LLVKDONJSA-N 2 2 265.361 0.589 20 0 CCADLP COCCO[C@@H]1CC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000444751968 389916673 /nfs/dbraw/zinc/91/66/73/389916673.db2.gz RDVWETXBTDGLIP-CYBMUJFWSA-N 2 2 253.346 0.929 20 0 CCADLP COCCO[C@@H]1CC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000444751968 389916675 /nfs/dbraw/zinc/91/66/75/389916675.db2.gz RDVWETXBTDGLIP-CYBMUJFWSA-N 2 2 253.346 0.929 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](c2cccnc2)C2CC2)CC1 ZINC000445822380 389926549 /nfs/dbraw/zinc/92/65/49/389926549.db2.gz RIKHPSHNFQBOPT-MRXNPFEDSA-N 2 2 288.395 0.896 20 0 CCADLP Cc1cc(NC[C@H]2C[NH2+]C[C@H]2O)nc(C(C)C)[nH+]1 ZINC000420251207 389973508 /nfs/dbraw/zinc/97/35/08/389973508.db2.gz LATRPGWNKIYRKT-GHMZBOCLSA-N 2 2 250.346 0.323 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC2(N3CCOCC3)CC2)C1 ZINC000434781773 389945701 /nfs/dbraw/zinc/94/57/01/389945701.db2.gz DHJHFLVJNIPYPS-ZIAGYGMSSA-N 2 2 267.417 0.781 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC2(N3CCOCC3)CC2)C1 ZINC000434781773 389945703 /nfs/dbraw/zinc/94/57/03/389945703.db2.gz DHJHFLVJNIPYPS-ZIAGYGMSSA-N 2 2 267.417 0.781 20 0 CCADLP C[C@@H](O)[C@H]1CCN(c2cc(N[C@@H](C)[C@H](C)[NH3+])nc[nH+]2)C1 ZINC000420258249 389974349 /nfs/dbraw/zinc/97/43/49/389974349.db2.gz FWKWANNLRDQHMP-YFKTTZPYSA-N 2 2 279.388 0.831 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2CCC[C@H](C)[C@H]2C[NH3+])CCO1 ZINC000420287606 389978650 /nfs/dbraw/zinc/97/86/50/389978650.db2.gz IGHPXVBHJQNYFR-BFHYXJOUSA-N 2 2 255.406 0.766 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2CCC[C@H](C)[C@H]2C[NH3+])CCO1 ZINC000420287606 389978652 /nfs/dbraw/zinc/97/86/52/389978652.db2.gz IGHPXVBHJQNYFR-BFHYXJOUSA-N 2 2 255.406 0.766 20 0 CCADLP C[C@H]1CC[N@H+](CCCN2C(=O)NC(C)(C)C2=O)[C@@H](C[NH3+])C1 ZINC000420326444 389984016 /nfs/dbraw/zinc/98/40/16/389984016.db2.gz CHJOSTYQBKRVQF-NWDGAFQWSA-N 2 2 296.415 0.766 20 0 CCADLP C[C@H]1CC[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)[C@@H](C[NH3+])C1 ZINC000420326444 389984018 /nfs/dbraw/zinc/98/40/18/389984018.db2.gz CHJOSTYQBKRVQF-NWDGAFQWSA-N 2 2 296.415 0.766 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH3+])[C@H]1CCN(c2ccccc2)C1=O ZINC000420350358 389988336 /nfs/dbraw/zinc/98/83/36/389988336.db2.gz GOZHVELNJSDOAX-STQMWFEESA-N 2 2 263.341 0.043 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH3+])[C@H]1CCN(c2ccccc2)C1=O ZINC000420350358 389988338 /nfs/dbraw/zinc/98/83/38/389988338.db2.gz GOZHVELNJSDOAX-STQMWFEESA-N 2 2 263.341 0.043 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420351662 389988832 /nfs/dbraw/zinc/98/88/32/389988832.db2.gz ADHUPJDCIGRNBD-DZGCQCFKSA-N 2 2 283.416 0.603 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420351662 389988833 /nfs/dbraw/zinc/98/88/33/389988833.db2.gz ADHUPJDCIGRNBD-DZGCQCFKSA-N 2 2 283.416 0.603 20 0 CCADLP C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420350804 389988886 /nfs/dbraw/zinc/98/88/86/389988886.db2.gz IDKMCKQJQCQVJC-OCCSQVGLSA-N 2 2 279.384 0.285 20 0 CCADLP C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420350804 389988888 /nfs/dbraw/zinc/98/88/88/389988888.db2.gz IDKMCKQJQCQVJC-OCCSQVGLSA-N 2 2 279.384 0.285 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC000420358674 389991598 /nfs/dbraw/zinc/99/15/98/389991598.db2.gz FSVBYMPYMDOJOI-KHQFGBGNSA-N 2 2 267.295 0.641 20 0 CCADLP C[C@H](C(=O)NCc1ccccc1F)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420361809 389991809 /nfs/dbraw/zinc/99/18/09/389991809.db2.gz YQDIVOBRLWAVLZ-PWSUYJOCSA-N 2 2 283.347 0.082 20 0 CCADLP C[C@H](C(=O)NCc1ccccc1F)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420361809 389991811 /nfs/dbraw/zinc/99/18/11/389991811.db2.gz YQDIVOBRLWAVLZ-PWSUYJOCSA-N 2 2 283.347 0.082 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420368308 389993355 /nfs/dbraw/zinc/99/33/55/389993355.db2.gz NNHWWXFCJCQGKP-QNWHQSFQSA-N 2 2 298.431 0.833 20 0 CCADLP CCOC(=O)C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420380891 389994863 /nfs/dbraw/zinc/99/48/63/389994863.db2.gz OOUCSQNUTXSUJO-OCCSQVGLSA-N 2 2 270.373 0.768 20 0 CCADLP CCC[C@](C)([NH2+]CCC(=O)N1CC[NH2+]CC1)C(=O)OC ZINC000420382898 389995171 /nfs/dbraw/zinc/99/51/71/389995171.db2.gz YZFWCVXARQLPNL-AWEZNQCLSA-N 2 2 285.388 0.130 20 0 CCADLP C[N@H+](CC[C@@H]1CCOC1)C1CC[NH+](CCO)CC1 ZINC000438111806 390000936 /nfs/dbraw/zinc/00/09/36/390000936.db2.gz WTCXFYQECXEVAW-CYBMUJFWSA-N 2 2 256.390 0.802 20 0 CCADLP C[N@@H+](CC[C@@H]1CCOC1)C1CC[NH+](CCO)CC1 ZINC000438111806 390000938 /nfs/dbraw/zinc/00/09/38/390000938.db2.gz WTCXFYQECXEVAW-CYBMUJFWSA-N 2 2 256.390 0.802 20 0 CCADLP O=C(/C=C/c1[nH]cc[nH+]1)NCCC[NH+]1CCC(O)CC1 ZINC000493134831 390119201 /nfs/dbraw/zinc/11/92/01/390119201.db2.gz VPWZOZWULDJYLN-NSCUHMNNSA-N 2 2 278.356 0.386 20 0 CCADLP CC[N@H+](C)CCNC(=O)NCc1c[nH+]ccc1OC ZINC000458020193 390052393 /nfs/dbraw/zinc/05/23/93/390052393.db2.gz SDLDFIPGDGYXHW-UHFFFAOYSA-N 2 2 266.345 0.841 20 0 CCADLP CC[N@@H+](C)CCNC(=O)NCc1c[nH+]ccc1OC ZINC000458020193 390052394 /nfs/dbraw/zinc/05/23/94/390052394.db2.gz SDLDFIPGDGYXHW-UHFFFAOYSA-N 2 2 266.345 0.841 20 0 CCADLP C[C@H](C(=O)NCC[C@@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000458173839 390053689 /nfs/dbraw/zinc/05/36/89/390053689.db2.gz RWZWVXSGKMOJLS-KGLIPLIRSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@H](C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000458173839 390053690 /nfs/dbraw/zinc/05/36/90/390053690.db2.gz RWZWVXSGKMOJLS-KGLIPLIRSA-N 2 2 283.416 0.555 20 0 CCADLP CCC[N@H+](CC)CCNC(=O)NCCc1cn(C)c[nH+]1 ZINC000458493023 390059116 /nfs/dbraw/zinc/05/91/16/390059116.db2.gz NGBAIJMVSSNSBL-UHFFFAOYSA-N 2 2 281.404 0.994 20 0 CCADLP CCC[N@@H+](CC)CCNC(=O)NCCc1cn(C)c[nH+]1 ZINC000458493023 390059117 /nfs/dbraw/zinc/05/91/17/390059117.db2.gz NGBAIJMVSSNSBL-UHFFFAOYSA-N 2 2 281.404 0.994 20 0 CCADLP CC(C)CCc1noc(C[N@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000647835797 390186781 /nfs/dbraw/zinc/18/67/81/390186781.db2.gz OTNXKYRTQLRAFH-UHFFFAOYSA-N 2 2 295.431 0.995 20 0 CCADLP CC(C)CCc1noc(C[N@@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000647835797 390186785 /nfs/dbraw/zinc/18/67/85/390186785.db2.gz OTNXKYRTQLRAFH-UHFFFAOYSA-N 2 2 295.431 0.995 20 0 CCADLP Cc1cncc(/C=C\C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000493271516 390122132 /nfs/dbraw/zinc/12/21/32/390122132.db2.gz YVPHYIMRWSCUKZ-NQHOJNORSA-N 2 2 274.368 0.505 20 0 CCADLP Cc1cncc(/C=C\C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000493271516 390122133 /nfs/dbraw/zinc/12/21/33/390122133.db2.gz YVPHYIMRWSCUKZ-NQHOJNORSA-N 2 2 274.368 0.505 20 0 CCADLP C[N@@H+]1CCN(CCNC(=O)/C=C/c2[nH]cc[nH+]2)CC1(C)C ZINC000493367691 390124207 /nfs/dbraw/zinc/12/42/07/390124207.db2.gz KYVDHCZZBBAXDD-SNAWJCMRSA-N 2 2 291.399 0.565 20 0 CCADLP C[N@H+]1CCN(CCNC(=O)/C=C/c2[nH]cc[nH+]2)CC1(C)C ZINC000493367691 390124208 /nfs/dbraw/zinc/12/42/08/390124208.db2.gz KYVDHCZZBBAXDD-SNAWJCMRSA-N 2 2 291.399 0.565 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)NCCn1cc[nH+]c1 ZINC000493451609 390125798 /nfs/dbraw/zinc/12/57/98/390125798.db2.gz CNRWRCYFIFJVPZ-ARJAWSKDSA-N 2 2 259.313 0.929 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)c2[nH]cc[nH+]2)C1 ZINC000579024691 390137384 /nfs/dbraw/zinc/13/73/84/390137384.db2.gz SHKDVMUINAMQMP-ZJUUUORDSA-N 2 2 252.318 0.308 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)c2[nH]cc[nH+]2)C1 ZINC000579024691 390137386 /nfs/dbraw/zinc/13/73/86/390137386.db2.gz SHKDVMUINAMQMP-ZJUUUORDSA-N 2 2 252.318 0.308 20 0 CCADLP COC(=O)C[C@H]([NH3+])C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000579235623 390154827 /nfs/dbraw/zinc/15/48/27/390154827.db2.gz WPIZSGBQQBWMLU-NSHDSACASA-N 2 2 265.313 0.205 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+](C)Cc1ccc(OC)c(O)c1 ZINC000579243798 390156931 /nfs/dbraw/zinc/15/69/31/390156931.db2.gz CBJNFCWRIIAMSQ-CQSZACIVSA-N 2 2 268.357 0.803 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+](C)Cc1ccc(OC)c(O)c1 ZINC000579243798 390156935 /nfs/dbraw/zinc/15/69/35/390156935.db2.gz CBJNFCWRIIAMSQ-CQSZACIVSA-N 2 2 268.357 0.803 20 0 CCADLP C[C@H](CC(=O)N1CC[NH+](CC(C)(C)O)CC1)n1cc[nH+]c1 ZINC000579362864 390166962 /nfs/dbraw/zinc/16/69/62/390166962.db2.gz VIYWRBWPTWPQLV-CYBMUJFWSA-N 2 2 294.399 0.749 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)NC(=O)CCc1[nH]cc[nH+]1 ZINC000579372566 390167698 /nfs/dbraw/zinc/16/76/98/390167698.db2.gz GHWPVQNRPPGTGU-LBPRGKRZSA-N 2 2 282.388 0.551 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)n1 ZINC000579483768 390178939 /nfs/dbraw/zinc/17/89/39/390178939.db2.gz WCAVBXTWPWENIA-NXEZZACHSA-N 2 2 298.412 0.970 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@H+]2CCS[C@@H]3COCC[C@H]32)n1 ZINC000579483768 390178942 /nfs/dbraw/zinc/17/89/42/390178942.db2.gz WCAVBXTWPWENIA-NXEZZACHSA-N 2 2 298.412 0.970 20 0 CCADLP FC(F)(F)[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000647886633 390208283 /nfs/dbraw/zinc/20/82/83/390208283.db2.gz DKBFTUHKYDGQMJ-JTQLQIEISA-N 2 2 267.295 0.155 20 0 CCADLP FC(F)(F)[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000647886633 390208285 /nfs/dbraw/zinc/20/82/85/390208285.db2.gz DKBFTUHKYDGQMJ-JTQLQIEISA-N 2 2 267.295 0.155 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647902810 390211366 /nfs/dbraw/zinc/21/13/66/390211366.db2.gz CEKRGLCJIIWEEV-ZIAGYGMSSA-N 2 2 283.416 0.603 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647902810 390211368 /nfs/dbraw/zinc/21/13/68/390211368.db2.gz CEKRGLCJIIWEEV-ZIAGYGMSSA-N 2 2 283.416 0.603 20 0 CCADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(C(=O)N(C)C)cc1 ZINC000495055232 390214931 /nfs/dbraw/zinc/21/49/31/390214931.db2.gz ZTSQWISPBUQCSL-IUODEOHRSA-N 2 2 293.411 0.962 20 0 CCADLP CC[C@@H]1C[N@H+](Cc2cc(=O)n3[nH]ccc3n2)CC[C@H]1[NH3+] ZINC000647936563 390223044 /nfs/dbraw/zinc/22/30/44/390223044.db2.gz HDUPKIUDGMFCCS-ZYHUDNBSSA-N 2 2 275.356 0.582 20 0 CCADLP CC[C@@H]1C[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)CC[C@H]1[NH3+] ZINC000647936563 390223046 /nfs/dbraw/zinc/22/30/46/390223046.db2.gz HDUPKIUDGMFCCS-ZYHUDNBSSA-N 2 2 275.356 0.582 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1CCC[NH+]1CCOCC1 ZINC000647953459 390226349 /nfs/dbraw/zinc/22/63/49/390226349.db2.gz BEVXBIYXAXKNSF-CQSZACIVSA-N 2 2 255.406 0.735 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1CCC[NH+]1CCOCC1 ZINC000647953459 390226350 /nfs/dbraw/zinc/22/63/50/390226350.db2.gz BEVXBIYXAXKNSF-CQSZACIVSA-N 2 2 255.406 0.735 20 0 CCADLP C[N@H+](CCC[NH3+])CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000647848097 390192231 /nfs/dbraw/zinc/19/22/31/390192231.db2.gz DEOHAWPENJPTPP-STQMWFEESA-N 2 2 269.389 0.437 20 0 CCADLP C[N@@H+](CCC[NH3+])CC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000647848097 390192234 /nfs/dbraw/zinc/19/22/34/390192234.db2.gz DEOHAWPENJPTPP-STQMWFEESA-N 2 2 269.389 0.437 20 0 CCADLP CNC(=O)CCC[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000579609114 390192319 /nfs/dbraw/zinc/19/23/19/390192319.db2.gz NVBGERDCNCOYFE-CABCVRRESA-N 2 2 296.459 0.470 20 0 CCADLP CNC(=O)CCC[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000579609114 390192322 /nfs/dbraw/zinc/19/23/22/390192322.db2.gz NVBGERDCNCOYFE-CABCVRRESA-N 2 2 296.459 0.470 20 0 CCADLP O=c1[nH]nc(C2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)[nH]1 ZINC000647991582 390240922 /nfs/dbraw/zinc/24/09/22/390240922.db2.gz OCFLLEKNZOQARD-VIFPVBQESA-N 2 2 251.334 0.299 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@]1(CO)COCC2(CCC2)N1C ZINC000527756310 285364743 /nfs/dbraw/zinc/36/47/43/285364743.db2.gz ZJPMVUQSQZIUJE-IIAWOOMASA-N 2 2 297.443 0.142 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@]1(CO)COCC2(CCC2)N1C ZINC000527756310 285364747 /nfs/dbraw/zinc/36/47/47/285364747.db2.gz ZJPMVUQSQZIUJE-IIAWOOMASA-N 2 2 297.443 0.142 20 0 CCADLP C[C@@H](O)C[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000644533866 390246885 /nfs/dbraw/zinc/24/68/85/390246885.db2.gz MENUYNNAOACRRN-CQSZACIVSA-N 3 2 278.400 0.564 20 0 CCADLP CCOC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1CCOC ZINC000644546548 390250692 /nfs/dbraw/zinc/25/06/92/390250692.db2.gz MXPZLJNQEKKCNQ-CHWSQXEVSA-N 2 2 260.378 0.084 20 0 CCADLP CCOC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+]1CCOC ZINC000644546548 390250695 /nfs/dbraw/zinc/25/06/95/390250695.db2.gz MXPZLJNQEKKCNQ-CHWSQXEVSA-N 2 2 260.378 0.084 20 0 CCADLP C[C@H]1C[N@H+](C)CCN1C(=O)Cn1c[nH+]c2c1CCCC2 ZINC000542717841 390268651 /nfs/dbraw/zinc/26/86/51/390268651.db2.gz GZLQSNOTBMXHDX-LBPRGKRZSA-N 2 2 276.384 0.924 20 0 CCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)Cn1c[nH+]c2c1CCCC2 ZINC000542717841 390268656 /nfs/dbraw/zinc/26/86/56/390268656.db2.gz GZLQSNOTBMXHDX-LBPRGKRZSA-N 2 2 276.384 0.924 20 0 CCADLP Cc1ncsc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000582252675 390275336 /nfs/dbraw/zinc/27/53/36/390275336.db2.gz OGVHAJQCTYCUBQ-UWVGGRQHSA-N 2 2 266.370 0.195 20 0 CCADLP Cc1ncsc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000582252675 390275340 /nfs/dbraw/zinc/27/53/40/390275340.db2.gz OGVHAJQCTYCUBQ-UWVGGRQHSA-N 2 2 266.370 0.195 20 0 CCADLP CC[N@H+](CCOC)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000495987777 390279376 /nfs/dbraw/zinc/27/93/76/390279376.db2.gz JUZWXAQHWHDBJJ-OAHLLOKOSA-N 2 2 297.399 0.829 20 0 CCADLP CC[N@@H+](CCOC)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000495987777 390279378 /nfs/dbraw/zinc/27/93/78/390279378.db2.gz JUZWXAQHWHDBJJ-OAHLLOKOSA-N 2 2 297.399 0.829 20 0 CCADLP C[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000583316590 390282260 /nfs/dbraw/zinc/28/22/60/390282260.db2.gz ZPNYNXBLSLSODV-MNOVXSKESA-N 2 2 277.434 0.434 20 0 CCADLP COC(=O)N1CCC([NH2+]Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000496161017 390311640 /nfs/dbraw/zinc/31/16/40/390311640.db2.gz YDCJFUQRHHKXTA-UHFFFAOYSA-N 2 2 295.387 0.807 20 0 CCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000648172467 390326733 /nfs/dbraw/zinc/32/67/33/390326733.db2.gz QOMKCKBDSRUSLR-ZDUSSCGKSA-N 2 2 292.383 0.556 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1CC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000583990646 390330856 /nfs/dbraw/zinc/33/08/56/390330856.db2.gz CYMLLFWGSVOTCD-KFWWJZLASA-N 2 2 267.417 0.876 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1CC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000583990646 390330858 /nfs/dbraw/zinc/33/08/58/390330858.db2.gz CYMLLFWGSVOTCD-KFWWJZLASA-N 2 2 267.417 0.876 20 0 CCADLP CC[C@@H]1C[NH+](C)CCN1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000583990646 390330859 /nfs/dbraw/zinc/33/08/59/390330859.db2.gz CYMLLFWGSVOTCD-KFWWJZLASA-N 2 2 267.417 0.876 20 0 CCADLP CC[C@@H]1C[NH+](C)CCN1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000583990646 390330863 /nfs/dbraw/zinc/33/08/63/390330863.db2.gz CYMLLFWGSVOTCD-KFWWJZLASA-N 2 2 267.417 0.876 20 0 CCADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3CCCCC[NH2+]3)C[C@@H]21 ZINC000583995497 390332010 /nfs/dbraw/zinc/33/20/10/390332010.db2.gz LIFQNNPYZLKMQU-MELADBBJSA-N 2 2 281.400 0.450 20 0 CCADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3CCCCC[NH2+]3)C[C@@H]21 ZINC000583995497 390332013 /nfs/dbraw/zinc/33/20/13/390332013.db2.gz LIFQNNPYZLKMQU-MELADBBJSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@H](C[C@H]1CCCO1)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000584399781 390339598 /nfs/dbraw/zinc/33/95/98/390339598.db2.gz SJHPBASESAEBQZ-JHJVBQTASA-N 2 2 284.404 0.228 20 0 CCADLP C[C@H](C[C@H]1CCCO1)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000584399781 390339602 /nfs/dbraw/zinc/33/96/02/390339602.db2.gz SJHPBASESAEBQZ-JHJVBQTASA-N 2 2 284.404 0.228 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cnc(N3CCCC3)nc2)C1 ZINC000546563832 390350442 /nfs/dbraw/zinc/35/04/42/390350442.db2.gz OSLMKEAEHKKUAS-OAHLLOKOSA-N 2 2 291.399 0.233 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cnc(N3CCCC3)nc2)C1 ZINC000546563832 390350446 /nfs/dbraw/zinc/35/04/46/390350446.db2.gz OSLMKEAEHKKUAS-OAHLLOKOSA-N 2 2 291.399 0.233 20 0 CCADLP Cc1ncc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c(=O)[nH]1 ZINC000584523997 390351692 /nfs/dbraw/zinc/35/16/92/390351692.db2.gz UGCUUNCAIPEWPA-STQMWFEESA-N 2 2 278.356 0.347 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCO[C@@H](C)C2)CC[N@@H+]1C ZINC000648759498 390403016 /nfs/dbraw/zinc/40/30/16/390403016.db2.gz GTFYCLGCYCJJPL-YNEHKIRRSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCO[C@@H](C)C2)CC[N@H+]1C ZINC000648759498 390403018 /nfs/dbraw/zinc/40/30/18/390403018.db2.gz GTFYCLGCYCJJPL-YNEHKIRRSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC[NH+]1C ZINC000648759498 390403020 /nfs/dbraw/zinc/40/30/20/390403020.db2.gz GTFYCLGCYCJJPL-YNEHKIRRSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC[NH+]1C ZINC000648759498 390403023 /nfs/dbraw/zinc/40/30/23/390403023.db2.gz GTFYCLGCYCJJPL-YNEHKIRRSA-N 2 2 269.389 0.164 20 0 CCADLP CC1(C)C[NH2+][C@H]1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000645292880 390405042 /nfs/dbraw/zinc/40/50/42/390405042.db2.gz GNPHTMKNYDUHHN-ZDUSSCGKSA-N 2 2 272.352 0.991 20 0 CCADLP CC[C@@H](O)CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645294275 390405226 /nfs/dbraw/zinc/40/52/26/390405226.db2.gz BIHHPVHZSZZXFR-TZMCWYRMSA-N 2 2 298.431 0.225 20 0 CCADLP CC[C@@H](O)CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645294275 390405228 /nfs/dbraw/zinc/40/52/28/390405228.db2.gz BIHHPVHZSZZXFR-TZMCWYRMSA-N 2 2 298.431 0.225 20 0 CCADLP COC1(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000648782491 390408283 /nfs/dbraw/zinc/40/82/83/390408283.db2.gz KPVNLZQXKKGNTE-UHFFFAOYSA-N 2 2 283.416 0.650 20 0 CCADLP COC1(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000648782491 390408284 /nfs/dbraw/zinc/40/82/84/390408284.db2.gz KPVNLZQXKKGNTE-UHFFFAOYSA-N 2 2 283.416 0.650 20 0 CCADLP CC(C)C[NH+]1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000547926930 390408705 /nfs/dbraw/zinc/40/87/05/390408705.db2.gz CGUHJDUUEFNGNX-UHFFFAOYSA-N 2 2 264.373 0.763 20 0 CCADLP CCOC(=O)N1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000497073807 390413409 /nfs/dbraw/zinc/41/34/09/390413409.db2.gz RZXROCPUFULMBE-CYBMUJFWSA-N 2 2 255.362 0.760 20 0 CCADLP C[NH+](C)CCOCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000554217894 390423272 /nfs/dbraw/zinc/42/32/72/390423272.db2.gz AKLPQWKLONHGCI-GFCCVEGCSA-N 2 2 280.372 0.140 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648884487 390433970 /nfs/dbraw/zinc/43/39/70/390433970.db2.gz GRZKKACULJEJNS-BFHYXJOUSA-N 2 2 283.416 0.506 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648884487 390433971 /nfs/dbraw/zinc/43/39/71/390433971.db2.gz GRZKKACULJEJNS-BFHYXJOUSA-N 2 2 283.416 0.506 20 0 CCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000643364452 390435323 /nfs/dbraw/zinc/43/53/23/390435323.db2.gz OKPCENUKRZUQKM-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000643364452 390435324 /nfs/dbraw/zinc/43/53/24/390435324.db2.gz OKPCENUKRZUQKM-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@H](O)C[NH+]1CCN(c2nc(N)[nH+]c3c2CCCC3)CC1 ZINC000645156287 390379921 /nfs/dbraw/zinc/37/99/21/390379921.db2.gz RUZZOSXVXKFQKP-NSHDSACASA-N 2 2 291.399 0.271 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC000547540126 390383083 /nfs/dbraw/zinc/38/30/83/390383083.db2.gz ZUMYQLUZSAYNMU-UHFFFAOYSA-N 2 2 264.373 0.952 20 0 CCADLP CC[N@H+](CC(=O)N[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000547658340 390389138 /nfs/dbraw/zinc/38/91/38/390389138.db2.gz FXCCFHGMJMVAFM-NSHDSACASA-N 2 2 262.357 0.798 20 0 CCADLP CC[N@@H+](CC(=O)N[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000547658340 390389140 /nfs/dbraw/zinc/38/91/40/390389140.db2.gz FXCCFHGMJMVAFM-NSHDSACASA-N 2 2 262.357 0.798 20 0 CCADLP COC(=O)[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000547727278 390394485 /nfs/dbraw/zinc/39/44/85/390394485.db2.gz XOCLOIBWXCOMKZ-ZWNOBZJWSA-N 2 2 263.341 0.987 20 0 CCADLP CS(=O)(=O)CC1(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000517743134 390490777 /nfs/dbraw/zinc/49/07/77/390490777.db2.gz QATWFDQWOGLJLI-VXGBXAGGSA-N 2 2 272.414 0.353 20 0 CCADLP CS(=O)(=O)CC1(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000517743134 390490781 /nfs/dbraw/zinc/49/07/81/390490781.db2.gz QATWFDQWOGLJLI-VXGBXAGGSA-N 2 2 272.414 0.353 20 0 CCADLP COC[C@H](O)C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000565481462 390518040 /nfs/dbraw/zinc/51/80/40/390518040.db2.gz WHDZIYUZCDMJMV-HZPDHXFCSA-N 2 2 294.395 0.003 20 0 CCADLP COC[C@H](O)C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000565481462 390518045 /nfs/dbraw/zinc/51/80/45/390518045.db2.gz WHDZIYUZCDMJMV-HZPDHXFCSA-N 2 2 294.395 0.003 20 0 CCADLP Cc1noc([C@@H](C)[N@H+](C)CCC(=O)N2CC[NH+](C)CC2)n1 ZINC000565430163 390513367 /nfs/dbraw/zinc/51/33/67/390513367.db2.gz KZJDOVDKDQZRFJ-LLVKDONJSA-N 2 2 295.387 0.535 20 0 CCADLP Cc1noc([C@@H](C)[N@@H+](C)CCC(=O)N2CC[NH+](C)CC2)n1 ZINC000565430163 390513370 /nfs/dbraw/zinc/51/33/70/390513370.db2.gz KZJDOVDKDQZRFJ-LLVKDONJSA-N 2 2 295.387 0.535 20 0 CCADLP Cc1cc(C)c(CNC(=O)N2CCN(C)C[C@H]2C[NH3+])c[nH+]1 ZINC000519592891 390513737 /nfs/dbraw/zinc/51/37/37/390513737.db2.gz ONYKFMRYVIFCTR-CQSZACIVSA-N 2 2 291.399 0.483 20 0 CCADLP Cc1cc(CNC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)cc(C)[nH+]1 ZINC000643439280 390447076 /nfs/dbraw/zinc/44/70/76/390447076.db2.gz JEXQMKSPNHCGEC-GXTWGEPZSA-N 2 2 292.383 0.956 20 0 CCADLP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC000643465757 390449717 /nfs/dbraw/zinc/44/97/17/390449717.db2.gz SDIXFEWIIXXGMB-MWLCHTKSSA-N 2 2 250.350 0.615 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000643471629 390450600 /nfs/dbraw/zinc/45/06/00/390450600.db2.gz VNHNBKLPDNIZIL-UONOGXRCSA-N 3 2 268.449 0.600 20 0 CCADLP C[NH2+][C@@H](C)C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000565435156 390515024 /nfs/dbraw/zinc/51/50/24/390515024.db2.gz YRXHIAGMAYHRSG-DZGCQCFKSA-N 2 2 291.395 0.784 20 0 CCADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1cccc(-n2cnnn2)c1 ZINC000643499710 390455993 /nfs/dbraw/zinc/45/59/93/390455993.db2.gz DYUKIFWYWDIXAO-PWSUYJOCSA-N 2 2 258.329 0.675 20 0 CCADLP CC1(C)C[NH2+][C@H]1C(=O)NCCCCn1cc[nH+]c1 ZINC000645678190 390471429 /nfs/dbraw/zinc/47/14/29/390471429.db2.gz ARGYVYRUKYDAFF-NSHDSACASA-N 2 2 250.346 0.778 20 0 CCADLP O=C(NCCNc1ccc2ccccc2[nH+]1)[C@@H]1CCC[NH2+]1 ZINC000646033975 390579334 /nfs/dbraw/zinc/57/93/34/390579334.db2.gz WWWUSMGUZKTSQA-AWEZNQCLSA-N 2 2 284.363 0.937 20 0 CCADLP Cc1[nH+]c2n(c1C)CCN(C(=O)[C@H]1C[C@H](F)C[NH2+]1)C2 ZINC000646043832 390582124 /nfs/dbraw/zinc/58/21/24/390582124.db2.gz IYIDKXKOTWFTOK-WDEREUQCSA-N 2 2 266.320 0.542 20 0 CCADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000649224675 390530005 /nfs/dbraw/zinc/53/00/05/390530005.db2.gz DOVSMBCKCFLTQZ-SCRDCRAPSA-N 2 2 274.368 0.608 20 0 CCADLP CN(CCN1CC[NH2+]CC1)C(=O)c1ccc2[nH+]ccn2c1 ZINC000649271441 390541832 /nfs/dbraw/zinc/54/18/32/390541832.db2.gz HUCCEBDVNFSCPX-UHFFFAOYSA-N 2 2 287.367 0.312 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCN1CC[NH+](C)C(C)(C)C1 ZINC000519770445 390541994 /nfs/dbraw/zinc/54/19/94/390541994.db2.gz ZKPVLVARKNYKPL-ZDUSSCGKSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@H]1COCC[NH+]1CCN1CC[N@H+](C)C(C)(C)C1 ZINC000519770445 390542004 /nfs/dbraw/zinc/54/20/04/390542004.db2.gz ZKPVLVARKNYKPL-ZDUSSCGKSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@H]1COCC[NH+]1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000519770445 390542009 /nfs/dbraw/zinc/54/20/09/390542009.db2.gz ZKPVLVARKNYKPL-ZDUSSCGKSA-N 2 2 255.406 0.733 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)[C@H]1C[NH2+]CCC1(F)F ZINC000649276377 390544624 /nfs/dbraw/zinc/54/46/24/390544624.db2.gz SQZBTMWBIXYNPP-SNVBAGLBSA-N 2 2 272.299 0.634 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3C[C@@H]([NH3+])C3)C2)CC1 ZINC000649334137 390590221 /nfs/dbraw/zinc/59/02/21/390590221.db2.gz NBSOQHWJUCOJNR-FRRDWIJNSA-N 3 2 280.416 0.008 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3C[C@@H]([NH3+])C3)C2)CC1 ZINC000649334137 390590223 /nfs/dbraw/zinc/59/02/23/390590223.db2.gz NBSOQHWJUCOJNR-FRRDWIJNSA-N 3 2 280.416 0.008 20 0 CCADLP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000649279103 390546589 /nfs/dbraw/zinc/54/65/89/390546589.db2.gz WCTMSFBPYCLJLZ-SYQHCUMBSA-N 2 2 279.384 0.060 20 0 CCADLP COc1cccnc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000565822060 390548917 /nfs/dbraw/zinc/54/89/17/390548917.db2.gz UIHYVGOSLRZBMG-SNVBAGLBSA-N 2 2 279.344 0.197 20 0 CCADLP COc1cccnc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000565822060 390548923 /nfs/dbraw/zinc/54/89/23/390548923.db2.gz UIHYVGOSLRZBMG-SNVBAGLBSA-N 2 2 279.344 0.197 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H](CO)CC(F)(F)F)C1CC1 ZINC000565833949 390550632 /nfs/dbraw/zinc/55/06/32/390550632.db2.gz VKQCXUGFBUDJKG-SCZZXKLOSA-N 2 2 270.295 0.344 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](CO)CC(F)(F)F)C1CC1 ZINC000565833949 390550636 /nfs/dbraw/zinc/55/06/36/390550636.db2.gz VKQCXUGFBUDJKG-SCZZXKLOSA-N 2 2 270.295 0.344 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]([NH3+])C3CCC3)C2)CC1 ZINC000645977971 390555558 /nfs/dbraw/zinc/55/55/58/390555558.db2.gz PHNGKCDHFKOLPV-DZGCQCFKSA-N 3 2 294.443 0.399 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]([NH3+])C3CCC3)C2)CC1 ZINC000645977971 390555562 /nfs/dbraw/zinc/55/55/62/390555562.db2.gz PHNGKCDHFKOLPV-DZGCQCFKSA-N 3 2 294.443 0.399 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C[NH2+]C3CC3)C2)CC1 ZINC000645977995 390557443 /nfs/dbraw/zinc/55/74/43/390557443.db2.gz PQSCMCWBDDTLEQ-CYBMUJFWSA-N 3 2 280.416 0.023 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C[NH2+]C3CC3)C2)CC1 ZINC000645977995 390557447 /nfs/dbraw/zinc/55/74/47/390557447.db2.gz PQSCMCWBDDTLEQ-CYBMUJFWSA-N 3 2 280.416 0.023 20 0 CCADLP O=C1NCC[C@@H]1CC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000566017920 390568835 /nfs/dbraw/zinc/56/88/35/390568835.db2.gz PAMQPDKHGGNHED-HUUCEWRRSA-N 2 2 295.427 0.557 20 0 CCADLP O=C1NCC[C@@H]1CC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000566017920 390568837 /nfs/dbraw/zinc/56/88/37/390568837.db2.gz PAMQPDKHGGNHED-HUUCEWRRSA-N 2 2 295.427 0.557 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000646022866 390573511 /nfs/dbraw/zinc/57/35/11/390573511.db2.gz FIWFAFGOJUFNSO-HNNXBMFYSA-N 2 2 294.399 0.578 20 0 CCADLP Cc1cn2cc(NC(=O)COC3(C)C[NH2+]C3)ccc2[nH+]1 ZINC000649318567 390576393 /nfs/dbraw/zinc/57/63/93/390576393.db2.gz WMDDEJZVAACUHU-UHFFFAOYSA-N 2 2 274.324 0.960 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000522144835 390626923 /nfs/dbraw/zinc/62/69/23/390626923.db2.gz QBHVAUIIKKOTEZ-LBPRGKRZSA-N 2 2 272.352 0.945 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000522144835 390626925 /nfs/dbraw/zinc/62/69/25/390626925.db2.gz QBHVAUIIKKOTEZ-LBPRGKRZSA-N 2 2 272.352 0.945 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000646194776 390630122 /nfs/dbraw/zinc/63/01/22/390630122.db2.gz QSTRBOVMPXRXGO-GUBZILKMSA-N 2 2 265.361 0.692 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000646194776 390630124 /nfs/dbraw/zinc/63/01/24/390630124.db2.gz QSTRBOVMPXRXGO-GUBZILKMSA-N 2 2 265.361 0.692 20 0 CCADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CC[NH+](C2CC2)CC1 ZINC000523508408 390637740 /nfs/dbraw/zinc/63/77/40/390637740.db2.gz CACMYCXWMSZFTI-UHFFFAOYSA-N 2 2 298.350 0.583 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)CCC2CC[NH2+]CC2)CCO1 ZINC000566681316 390639116 /nfs/dbraw/zinc/63/91/16/390639116.db2.gz RCFOVPDZXRDTCU-CYBMUJFWSA-N 2 2 283.416 0.603 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)CCC2CC[NH2+]CC2)CCO1 ZINC000566681316 390639118 /nfs/dbraw/zinc/63/91/18/390639118.db2.gz RCFOVPDZXRDTCU-CYBMUJFWSA-N 2 2 283.416 0.603 20 0 CCADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@@H]2CC[N@H+](C)C2)no1 ZINC000523650699 390639334 /nfs/dbraw/zinc/63/93/34/390639334.db2.gz FZVXVZWFARJPDV-SNVBAGLBSA-N 2 2 295.387 0.434 20 0 CCADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@@H]2CC[N@@H+](C)C2)no1 ZINC000523650699 390639338 /nfs/dbraw/zinc/63/93/38/390639338.db2.gz FZVXVZWFARJPDV-SNVBAGLBSA-N 2 2 295.387 0.434 20 0 CCADLP Cc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1F ZINC000566866790 390655788 /nfs/dbraw/zinc/65/57/88/390655788.db2.gz QUKCGXVHZJPPSM-GXTWGEPZSA-N 2 2 277.343 0.878 20 0 CCADLP Cc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1F ZINC000566866790 390655792 /nfs/dbraw/zinc/65/57/92/390655792.db2.gz QUKCGXVHZJPPSM-GXTWGEPZSA-N 2 2 277.343 0.878 20 0 CCADLP C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000566893978 390657077 /nfs/dbraw/zinc/65/70/77/390657077.db2.gz LKNXANSHDCPILY-STQMWFEESA-N 2 2 276.384 0.904 20 0 CCADLP C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000566893978 390657080 /nfs/dbraw/zinc/65/70/80/390657080.db2.gz LKNXANSHDCPILY-STQMWFEESA-N 2 2 276.384 0.904 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)COC1(C)C[NH2+]C1 ZINC000649339998 390594607 /nfs/dbraw/zinc/59/46/07/390594607.db2.gz SMLRJNJSIYQUEP-UHFFFAOYSA-N 2 2 280.372 0.534 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@]2(C)CCCO2)C[C@@H](C)O1 ZINC000521227319 390599376 /nfs/dbraw/zinc/59/93/76/390599376.db2.gz CZLZCPBPJOVSEY-TUVASFSCSA-N 2 2 286.416 0.615 20 0 CCADLP C[C@H](CNC(=O)c1ccc(C[NH3+])o1)C[NH+]1CCN(C)CC1 ZINC000646108315 390600512 /nfs/dbraw/zinc/60/05/12/390600512.db2.gz RNARQDZMSXYVTI-GFCCVEGCSA-N 2 2 294.399 0.352 20 0 CCADLP C[C@H](CNC(=O)c1ccc(C[NH3+])o1)CN1CC[NH+](C)CC1 ZINC000646108315 390600521 /nfs/dbraw/zinc/60/05/21/390600521.db2.gz RNARQDZMSXYVTI-GFCCVEGCSA-N 2 2 294.399 0.352 20 0 CCADLP CC1=CC[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000646131162 390613307 /nfs/dbraw/zinc/61/33/07/390613307.db2.gz WXXFLCSSBMXSJY-ZDUSSCGKSA-N 2 2 251.374 0.849 20 0 CCADLP Cc1ccnc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000567572961 390703936 /nfs/dbraw/zinc/70/39/36/390703936.db2.gz HBDWOBGHZYOGAX-CYBMUJFWSA-N 2 2 277.372 0.174 20 0 CCADLP Cc1ccnc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000567572961 390703937 /nfs/dbraw/zinc/70/39/37/390703937.db2.gz HBDWOBGHZYOGAX-CYBMUJFWSA-N 2 2 277.372 0.174 20 0 CCADLP [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000646670098 390707029 /nfs/dbraw/zinc/70/70/29/390707029.db2.gz CBUJPYBGCQIDNY-JSGCOSHPSA-N 2 2 281.400 0.437 20 0 CCADLP [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000646670098 390707031 /nfs/dbraw/zinc/70/70/31/390707031.db2.gz CBUJPYBGCQIDNY-JSGCOSHPSA-N 2 2 281.400 0.437 20 0 CCADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646336125 390666765 /nfs/dbraw/zinc/66/67/65/390666765.db2.gz IYCGAZKXTPQYJA-UTLUCORTSA-N 2 2 259.300 0.194 20 0 CCADLP CCc1cccc(OCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000567109178 390672417 /nfs/dbraw/zinc/67/24/17/390672417.db2.gz YKQGDTNVUUCEQD-CQSZACIVSA-N 2 2 291.395 0.729 20 0 CCADLP CCc1cccc(OCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000567109178 390672420 /nfs/dbraw/zinc/67/24/20/390672420.db2.gz YKQGDTNVUUCEQD-CQSZACIVSA-N 2 2 291.395 0.729 20 0 CCADLP CCN1CCC[N@@H+](CCCc2c[nH+]cn2C)CC1=O ZINC000567120729 390673096 /nfs/dbraw/zinc/67/30/96/390673096.db2.gz KSJGNVPQBRWLAC-UHFFFAOYSA-N 2 2 264.373 0.907 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@H]2[NH2+]CC2(C)C)C[C@H](C)O1 ZINC000646457234 390685596 /nfs/dbraw/zinc/68/55/96/390685596.db2.gz OLHNEYREZQKIMS-FRRDWIJNSA-N 2 2 283.416 0.552 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@H]2[NH2+]CC2(C)C)C[C@H](C)O1 ZINC000646457234 390685598 /nfs/dbraw/zinc/68/55/98/390685598.db2.gz OLHNEYREZQKIMS-FRRDWIJNSA-N 2 2 283.416 0.552 20 0 CCADLP COCC[NH2+]CC(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000646554141 390692768 /nfs/dbraw/zinc/69/27/68/390692768.db2.gz SBIASVVJGBBNCE-NSHDSACASA-N 2 2 254.334 0.459 20 0 CCADLP C[C@H](c1nnnn1C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000567398603 390697250 /nfs/dbraw/zinc/69/72/50/390697250.db2.gz HNYDMGHZIQPTKY-ZJUUUORDSA-N 2 2 261.333 0.494 20 0 CCADLP C[C@H](c1nnnn1C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000567398603 390697252 /nfs/dbraw/zinc/69/72/52/390697252.db2.gz HNYDMGHZIQPTKY-ZJUUUORDSA-N 2 2 261.333 0.494 20 0 CCADLP C[C@H](CC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000571804503 390754011 /nfs/dbraw/zinc/75/40/11/390754011.db2.gz SIPSISYFLXGDHB-KGLIPLIRSA-N 2 2 297.443 0.849 20 0 CCADLP C[C@H](CC(=O)NCC[N@H+]1CCO[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000571804503 390754013 /nfs/dbraw/zinc/75/40/13/390754013.db2.gz SIPSISYFLXGDHB-KGLIPLIRSA-N 2 2 297.443 0.849 20 0 CCADLP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000647058013 390767352 /nfs/dbraw/zinc/76/73/52/390767352.db2.gz IAXLXOVCIFITRM-UWVGGRQHSA-N 2 2 290.302 0.092 20 0 CCADLP C[C@H]([NH3+])[C@H](C)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000647068047 390769149 /nfs/dbraw/zinc/76/91/49/390769149.db2.gz MESMDCCMFCJULY-IUCAKERBSA-N 2 2 263.332 0.815 20 0 CCADLP Cn1ccnc1[C@H]1C[NH2+]CCN1Cc1cc[nH+]c(N)c1 ZINC000572243683 390774160 /nfs/dbraw/zinc/77/41/60/390774160.db2.gz BYLILIGEKZPECZ-GFCCVEGCSA-N 2 2 272.356 0.374 20 0 CCADLP Cc1cccc2[nH+]c(CCNC(=O)[C@H](C)C[NH3+])cn21 ZINC000647098332 390775497 /nfs/dbraw/zinc/77/54/97/390775497.db2.gz MACRHLKJMSQSSK-SNVBAGLBSA-N 2 2 260.341 0.896 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]Cc2ccc(O)cc2)C[C@H](C)O1 ZINC000572356884 390779360 /nfs/dbraw/zinc/77/93/60/390779360.db2.gz ZRTLNOLATGKSNF-ZENOOKHLSA-N 2 2 294.395 0.952 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]Cc2ccc(O)cc2)C[C@H](C)O1 ZINC000572356884 390779364 /nfs/dbraw/zinc/77/93/64/390779364.db2.gz ZRTLNOLATGKSNF-ZENOOKHLSA-N 2 2 294.395 0.952 20 0 CCADLP [NH3+]Cc1noc(C[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000647160270 390781333 /nfs/dbraw/zinc/78/13/33/390781333.db2.gz PRZSCKOPAZEUDV-ZDUSSCGKSA-N 2 2 288.351 0.972 20 0 CCADLP [NH3+]Cc1noc(C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000647160270 390781335 /nfs/dbraw/zinc/78/13/35/390781335.db2.gz PRZSCKOPAZEUDV-ZDUSSCGKSA-N 2 2 288.351 0.972 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCCCCn1cc[nH+]c1 ZINC000572585448 390790604 /nfs/dbraw/zinc/79/06/04/390790604.db2.gz OGBWMEJGCDUSQS-QWHCGFSZSA-N 2 2 279.388 0.961 20 0 CCADLP Cc1cc(NC[C@H]2C[NH2+]CCN2C)nc(-c2cccnc2)[nH+]1 ZINC000572706705 390798085 /nfs/dbraw/zinc/79/80/85/390798085.db2.gz GOOHTGFQXCPRIL-CQSZACIVSA-N 2 2 298.394 0.584 20 0 CCADLP C[C@H](CO[C@H]1CCOC1)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000572751745 390801062 /nfs/dbraw/zinc/80/10/62/390801062.db2.gz SJGHLTYSSJLDMF-XBFCOCLRSA-N 2 2 272.389 0.225 20 0 CCADLP C[C@H](CO[C@H]1CCOC1)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000572751745 390801065 /nfs/dbraw/zinc/80/10/65/390801065.db2.gz SJGHLTYSSJLDMF-XBFCOCLRSA-N 2 2 272.389 0.225 20 0 CCADLP C[N@H+]1CCN(C(=O)COCCc2ccccc2)[C@H](C[NH3+])C1 ZINC000572760571 390801916 /nfs/dbraw/zinc/80/19/16/390801916.db2.gz XDUDFKTYVYUVLA-OAHLLOKOSA-N 2 2 291.395 0.347 20 0 CCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000529292051 390802282 /nfs/dbraw/zinc/80/22/82/390802282.db2.gz JFGSHITWEZDXRR-KBPBESRZSA-N 2 2 298.431 0.347 20 0 CCADLP [NH3+][C@H](C(=O)NCC1C[NH2+]C1)c1c(F)cccc1F ZINC000646901776 390736337 /nfs/dbraw/zinc/73/63/37/390736337.db2.gz NQNPMMDHRFAMTI-NSHDSACASA-N 2 2 255.268 0.300 20 0 CCADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000646924073 390741675 /nfs/dbraw/zinc/74/16/75/390741675.db2.gz AFRPXUHDKSXNAF-AVGNSLFASA-N 2 2 274.368 0.608 20 0 CCADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000646924073 390741677 /nfs/dbraw/zinc/74/16/77/390741677.db2.gz AFRPXUHDKSXNAF-AVGNSLFASA-N 2 2 274.368 0.608 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@H](CO)C2CCOCC2)n1C ZINC000571581880 390743621 /nfs/dbraw/zinc/74/36/21/390743621.db2.gz KJHMYSPGHFILTI-CYBMUJFWSA-N 2 2 253.346 0.606 20 0 CCADLP CC(C)NC(=O)NCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000571698325 390748764 /nfs/dbraw/zinc/74/87/64/390748764.db2.gz RCHUEZIHAXJEIE-UHFFFAOYSA-N 2 2 280.376 0.239 20 0 CCADLP Cc1cc(CNC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc(C)[nH+]1 ZINC000578126377 390865431 /nfs/dbraw/zinc/86/54/31/390865431.db2.gz SWTGVYGZGDUPHD-HNNXBMFYSA-N 2 2 292.383 0.564 20 0 CCADLP Cc1cc(CNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc(C)[nH+]1 ZINC000578126377 390865432 /nfs/dbraw/zinc/86/54/32/390865432.db2.gz SWTGVYGZGDUPHD-HNNXBMFYSA-N 2 2 292.383 0.564 20 0 CCADLP [NH3+][C@H]1C[C@@H](C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000578134596 390866431 /nfs/dbraw/zinc/86/64/31/390866431.db2.gz WSSOKXBZYOMQRX-TXEJJXNPSA-N 2 2 274.368 0.904 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])c2cscn2)C[C@H]1C ZINC000578190158 390869464 /nfs/dbraw/zinc/86/94/64/390869464.db2.gz XGERCTHDOKNNNK-PWSUYJOCSA-N 2 2 298.412 0.322 20 0 CCADLP COCC[N@H+]1CCN(C(=O)[C@@H]([NH3+])c2cscn2)C[C@H]1C ZINC000578190158 390869466 /nfs/dbraw/zinc/86/94/66/390869466.db2.gz XGERCTHDOKNNNK-PWSUYJOCSA-N 2 2 298.412 0.322 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2ccncc2)C1 ZINC000578202876 390869951 /nfs/dbraw/zinc/86/99/51/390869951.db2.gz AMAVEFHGFQLHAB-JKSUJKDBSA-N 2 2 293.411 0.810 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2ccncc2)C1 ZINC000578202876 390869954 /nfs/dbraw/zinc/86/99/54/390869954.db2.gz AMAVEFHGFQLHAB-JKSUJKDBSA-N 2 2 293.411 0.810 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000578202876 390869956 /nfs/dbraw/zinc/86/99/56/390869956.db2.gz AMAVEFHGFQLHAB-JKSUJKDBSA-N 2 2 293.411 0.810 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000578202876 390869959 /nfs/dbraw/zinc/86/99/59/390869959.db2.gz AMAVEFHGFQLHAB-JKSUJKDBSA-N 2 2 293.411 0.810 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2CC23CCCC3)[C@H](C[NH3+])C1 ZINC000578235923 390872447 /nfs/dbraw/zinc/87/24/47/390872447.db2.gz JOLIKJFIQTYVEE-NEPJUHHUSA-N 2 2 251.374 0.668 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC[C@@H]2CCCOC2)[C@H](C[NH3+])C1 ZINC000529350591 390816336 /nfs/dbraw/zinc/81/63/36/390816336.db2.gz UJMPUJMJOWFNQG-QWHCGFSZSA-N 2 2 284.404 0.087 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC[C@@H]2CCCOC2)[C@H](C[NH3+])C1 ZINC000529350591 390816338 /nfs/dbraw/zinc/81/63/38/390816338.db2.gz UJMPUJMJOWFNQG-QWHCGFSZSA-N 2 2 284.404 0.087 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3ccc(F)cc3F)CCN2C1=O ZINC000572985683 390816546 /nfs/dbraw/zinc/81/65/46/390816546.db2.gz LCSQGLSWRCWZGO-WCQYABFASA-N 2 2 281.306 0.709 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3ccc(F)cc3F)CCN2C1=O ZINC000572985683 390816547 /nfs/dbraw/zinc/81/65/47/390816547.db2.gz LCSQGLSWRCWZGO-WCQYABFASA-N 2 2 281.306 0.709 20 0 CCADLP O=C(NC[C@H]1COCC[NH2+]1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000529379345 390824644 /nfs/dbraw/zinc/82/46/44/390824644.db2.gz KJGKRYJMDYHSLU-NWDGAFQWSA-N 2 2 293.371 0.635 20 0 CCADLP c1nc2ccccn2c1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000647541594 390838988 /nfs/dbraw/zinc/83/89/88/390838988.db2.gz AVUDFWRBKJPHTM-AWEZNQCLSA-N 2 2 285.395 0.814 20 0 CCADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000647546773 390839206 /nfs/dbraw/zinc/83/92/06/390839206.db2.gz AUQRSQZBTVEJFE-SDDRHHMPSA-N 3 2 294.365 0.410 20 0 CCADLP O[C@H](CNC1CC([NH+]2CCCCC2)C1)C[NH+]1CCOCC1 ZINC000578436430 390883487 /nfs/dbraw/zinc/88/34/87/390883487.db2.gz SLCJHYCKKRYAIC-UYSNPLJNSA-N 2 2 297.443 0.286 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CCS(=O)(=O)N(C)C)C[C@@H]1C ZINC000336808764 285396000 /nfs/dbraw/zinc/39/60/00/285396000.db2.gz CTUPTXDBGCYCRV-STQMWFEESA-N 2 2 291.461 0.682 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CCS(=O)(=O)N(C)C)C[C@@H]1C ZINC000336808764 285396001 /nfs/dbraw/zinc/39/60/01/285396001.db2.gz CTUPTXDBGCYCRV-STQMWFEESA-N 2 2 291.461 0.682 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CCS(=O)(=O)N(C)C)C[C@@H]1C ZINC000336808764 285396003 /nfs/dbraw/zinc/39/60/03/285396003.db2.gz CTUPTXDBGCYCRV-STQMWFEESA-N 2 2 291.461 0.682 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CCS(=O)(=O)N(C)C)C[C@@H]1C ZINC000336808764 285396004 /nfs/dbraw/zinc/39/60/04/285396004.db2.gz CTUPTXDBGCYCRV-STQMWFEESA-N 2 2 291.461 0.682 20 0 CCADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(F)cn1 ZINC000358228387 533438541 /nfs/dbraw/zinc/43/85/41/533438541.db2.gz FQWFZNKHIJJASM-ZWNOBZJWSA-N 2 2 253.321 0.938 20 0 CCADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(F)cn1 ZINC000358228387 533438547 /nfs/dbraw/zinc/43/85/47/533438547.db2.gz FQWFZNKHIJJASM-ZWNOBZJWSA-N 2 2 253.321 0.938 20 0 CCADLP CN(C(=O)C[NH2+]CC1([NH3+])CCC1)c1nccs1 ZINC000342117906 130274417 /nfs/dbraw/zinc/27/44/17/130274417.db2.gz ZSXNNFZKLORPRL-UHFFFAOYSA-N 2 2 254.359 0.577 20 0 CCADLP [NH3+]C1(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC000237924966 131066496 /nfs/dbraw/zinc/06/64/96/131066496.db2.gz YAKNWTMUHMPUPZ-AWEZNQCLSA-N 2 2 289.379 0.667 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)CN1CCOCC1 ZINC000252966923 131140467 /nfs/dbraw/zinc/14/04/67/131140467.db2.gz TWVJPKKEVDXHGD-MGPQQGTHSA-N 2 2 271.405 0.064 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000253200077 131141338 /nfs/dbraw/zinc/14/13/38/131141338.db2.gz WWNRZRJQCXEUOS-DGAVXFQQSA-N 2 2 283.416 0.539 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000253200077 131141340 /nfs/dbraw/zinc/14/13/40/131141340.db2.gz WWNRZRJQCXEUOS-DGAVXFQQSA-N 2 2 283.416 0.539 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)c1csc(C[NH3+])n1 ZINC000261581610 131153955 /nfs/dbraw/zinc/15/39/55/131153955.db2.gz QULMEGLIYUVKAA-UHFFFAOYSA-N 2 2 265.342 0.537 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000261584717 131154000 /nfs/dbraw/zinc/15/40/00/131154000.db2.gz SOBGGMWPURZTSS-MDZLAQPJSA-N 2 2 250.346 0.776 20 0 CCADLP O=C(Cc1cn2ccccc2[nH+]1)NC1CC[NH2+]CC1 ZINC000262495855 131226317 /nfs/dbraw/zinc/22/63/17/131226317.db2.gz CUXIONJAGZZGBE-UHFFFAOYSA-N 2 2 258.325 0.745 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)C[C@@H]3C[NH2+]CCO3)cn2c1 ZINC000269230418 132137553 /nfs/dbraw/zinc/13/75/53/132137553.db2.gz CPFARGFNZFGNCN-CYBMUJFWSA-N 2 2 288.351 0.637 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)[C@H]3COCC[NH2+]3)cn2c1 ZINC000269256540 132144195 /nfs/dbraw/zinc/14/41/95/132144195.db2.gz SVXKOQBMPMINMA-GFCCVEGCSA-N 2 2 274.324 0.247 20 0 CCADLP CCn1nnc(C)c1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657751391 413057317 /nfs/dbraw/zinc/05/73/17/413057317.db2.gz IDYZTVKGSGWNHH-AWEZNQCLSA-N 2 2 293.415 0.949 20 0 CCADLP Cc1cc(N2CC[NH+](C[C@@H](C)O)CC2)nc(C)[nH+]1 ZINC000275823759 135113766 /nfs/dbraw/zinc/11/37/66/135113766.db2.gz NHAJRWNKXQFWOT-LLVKDONJSA-N 2 2 250.346 0.596 20 0 CCADLP CC[NH2+]CCNC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000419881953 285587456 /nfs/dbraw/zinc/58/74/56/285587456.db2.gz XAGIBIAIABEFQH-LLVKDONJSA-N 2 2 293.371 0.189 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](CC2(C)CCC2)CC1 ZINC000432935984 289074786 /nfs/dbraw/zinc/07/47/86/289074786.db2.gz BQRFBBFFKRVJJC-UHFFFAOYSA-N 2 2 253.390 0.882 20 0 CCADLP O=C1CC[C@@H](C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)N1 ZINC000658260115 413113522 /nfs/dbraw/zinc/11/35/22/413113522.db2.gz RPOVFTVNNDJSSF-HNNXBMFYSA-N 2 2 288.395 0.914 20 0 CCADLP Cc1nccnc1N1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262078380 143936287 /nfs/dbraw/zinc/93/62/87/143936287.db2.gz SVOYDDXWWTXXPP-HNNXBMFYSA-N 2 2 275.400 0.907 20 0 CCADLP C[C@H]([NH3+])CC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000040858276 397395025 /nfs/dbraw/zinc/39/50/25/397395025.db2.gz RQLVPMPEQAMAGJ-NWDGAFQWSA-N 2 2 297.424 0.975 20 0 CCADLP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000357254492 144075049 /nfs/dbraw/zinc/07/50/49/144075049.db2.gz JJKXPZDWFUMHEN-KBPBESRZSA-N 2 2 283.416 0.421 20 0 CCADLP Nc1nc(-n2cccn2)cc(NCCNc2cccc[nH+]2)[nH+]1 ZINC000357273164 144076956 /nfs/dbraw/zinc/07/69/56/144076956.db2.gz VRPRDQMCQUHRMF-UHFFFAOYSA-N 2 2 296.338 0.994 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000357381644 144086549 /nfs/dbraw/zinc/08/65/49/144086549.db2.gz SUXIXWBAUMCIPB-HUUCEWRRSA-N 2 2 295.427 0.509 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000357381644 144086551 /nfs/dbraw/zinc/08/65/51/144086551.db2.gz SUXIXWBAUMCIPB-HUUCEWRRSA-N 2 2 295.427 0.509 20 0 CCADLP Cc1nc(N[C@H](C)C[N@H+](C)C(C)C)nc(N(C)C)[nH+]1 ZINC000357568377 144101182 /nfs/dbraw/zinc/10/11/82/144101182.db2.gz NQRSIKUJLUQCQO-SNVBAGLBSA-N 2 2 266.393 0.809 20 0 CCADLP Cc1nc(N[C@H](C)C[N@@H+](C)C(C)C)nc(N(C)C)[nH+]1 ZINC000357568377 144101183 /nfs/dbraw/zinc/10/11/83/144101183.db2.gz NQRSIKUJLUQCQO-SNVBAGLBSA-N 2 2 266.393 0.809 20 0 CCADLP CC(=O)Nc1ccccc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358132825 144155779 /nfs/dbraw/zinc/15/57/79/144155779.db2.gz HGNPKRZZVIJYLE-OAHLLOKOSA-N 2 2 277.368 0.801 20 0 CCADLP CC(=O)Nc1ccccc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358132825 144155780 /nfs/dbraw/zinc/15/57/80/144155780.db2.gz HGNPKRZZVIJYLE-OAHLLOKOSA-N 2 2 277.368 0.801 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCCO3)CC2)CC1 ZINC000358578826 144163985 /nfs/dbraw/zinc/16/39/85/144163985.db2.gz FHUFBWMMZLYPIJ-UHFFFAOYSA-N 2 2 296.415 0.892 20 0 CCADLP O=C(NCC[C@@H]1CCC[NH2+]C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000368486702 144227713 /nfs/dbraw/zinc/22/77/13/144227713.db2.gz OVLPRWRYUWEZNQ-VHSXEESVSA-N 2 2 261.316 0.490 20 0 CCADLP COC[C@@H]1CCCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000368678835 144239652 /nfs/dbraw/zinc/23/96/52/144239652.db2.gz UZUHONDCDRARHV-CQSZACIVSA-N 2 2 283.416 0.509 20 0 CCADLP COC[C@@H]1CCCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000368678835 144239653 /nfs/dbraw/zinc/23/96/53/144239653.db2.gz UZUHONDCDRARHV-CQSZACIVSA-N 2 2 283.416 0.509 20 0 CCADLP CC(C)NC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000370151370 144291859 /nfs/dbraw/zinc/29/18/59/144291859.db2.gz VRFMBQLPJMIKQW-CABCVRRESA-N 2 2 296.459 0.469 20 0 CCADLP CC(C)NC(=O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000370151370 144291861 /nfs/dbraw/zinc/29/18/61/144291861.db2.gz VRFMBQLPJMIKQW-CABCVRRESA-N 2 2 296.459 0.469 20 0 CCADLP COCCN(CC[NH+](C)C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000370428734 144302545 /nfs/dbraw/zinc/30/25/45/144302545.db2.gz RZZOHDLENZFOBY-ZDUSSCGKSA-N 2 2 294.399 0.482 20 0 CCADLP COC(=O)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000370689892 144312407 /nfs/dbraw/zinc/31/24/07/144312407.db2.gz MXXBTJKQWQDCOL-UHFFFAOYSA-N 2 2 283.416 0.650 20 0 CCADLP C(C[NH+]1CCCCC1)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000372464830 144368252 /nfs/dbraw/zinc/36/82/52/144368252.db2.gz RSABWQGEHGVJHK-OAHLLOKOSA-N 2 2 267.417 0.879 20 0 CCADLP C(C[NH+]1CCCCC1)C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000372464830 144368254 /nfs/dbraw/zinc/36/82/54/144368254.db2.gz RSABWQGEHGVJHK-OAHLLOKOSA-N 2 2 267.417 0.879 20 0 CCADLP C(CN1CC[N@@H+]2CCOC[C@H]2C1)C[NH+]1CCCCC1 ZINC000372464830 144368256 /nfs/dbraw/zinc/36/82/56/144368256.db2.gz RSABWQGEHGVJHK-OAHLLOKOSA-N 2 2 267.417 0.879 20 0 CCADLP C(CN1CC[N@H+]2CCOC[C@H]2C1)C[NH+]1CCCCC1 ZINC000372464830 144368257 /nfs/dbraw/zinc/36/82/57/144368257.db2.gz RSABWQGEHGVJHK-OAHLLOKOSA-N 2 2 267.417 0.879 20 0 CCADLP C[N@H+](CCOCC[NH3+])CC(=O)Nc1ccccc1F ZINC000388301372 397505531 /nfs/dbraw/zinc/50/55/31/397505531.db2.gz FBICRPAHCZAWTQ-UHFFFAOYSA-N 2 2 269.320 0.671 20 0 CCADLP C[N@@H+](CCOCC[NH3+])CC(=O)Nc1ccccc1F ZINC000388301372 397505534 /nfs/dbraw/zinc/50/55/34/397505534.db2.gz FBICRPAHCZAWTQ-UHFFFAOYSA-N 2 2 269.320 0.671 20 0 CCADLP CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C[C@H]1CCCO1 ZINC000388823678 397508094 /nfs/dbraw/zinc/50/80/94/397508094.db2.gz WMTCORJXQZJMII-UONOGXRCSA-N 2 2 274.405 0.426 20 0 CCADLP CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C[C@H]1CCCO1 ZINC000388823678 397508097 /nfs/dbraw/zinc/50/80/97/397508097.db2.gz WMTCORJXQZJMII-UONOGXRCSA-N 2 2 274.405 0.426 20 0 CCADLP CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C[C@H]1CCCO1 ZINC000388823678 397508100 /nfs/dbraw/zinc/50/81/00/397508100.db2.gz WMTCORJXQZJMII-UONOGXRCSA-N 2 2 274.405 0.426 20 0 CCADLP CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C[C@H]1CCCO1 ZINC000388823678 397508103 /nfs/dbraw/zinc/50/81/03/397508103.db2.gz WMTCORJXQZJMII-UONOGXRCSA-N 2 2 274.405 0.426 20 0 CCADLP C[C@@H]1C[C@H](C)[N@H+](Cc2nnnn2C2CC2)C[C@@H]1C[NH3+] ZINC000397440668 397522070 /nfs/dbraw/zinc/52/20/70/397522070.db2.gz FLTOAIMHDUYLAV-VWYCJHECSA-N 2 2 264.377 0.813 20 0 CCADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2nnnn2C2CC2)C[C@@H]1C[NH3+] ZINC000397440668 397522073 /nfs/dbraw/zinc/52/20/73/397522073.db2.gz FLTOAIMHDUYLAV-VWYCJHECSA-N 2 2 264.377 0.813 20 0 CCADLP C[NH+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000585231319 397584029 /nfs/dbraw/zinc/58/40/29/397584029.db2.gz VVFZJBVCYYGXLY-UHFFFAOYSA-N 2 2 272.312 0.050 20 0 CCADLP Cc1cc(C[NH+]2CCN(C[C@H]3CC[NH2+]C3)CC2)on1 ZINC000649411417 397606070 /nfs/dbraw/zinc/60/60/70/397606070.db2.gz VDXONIOLQIPTLP-ZDUSSCGKSA-N 2 2 264.373 0.710 20 0 CCADLP Cc1cc(CN2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)on1 ZINC000649411417 397606071 /nfs/dbraw/zinc/60/60/71/397606071.db2.gz VDXONIOLQIPTLP-ZDUSSCGKSA-N 2 2 264.373 0.710 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCOC[C@@H]1c1ccnn1C ZINC000649885616 397680071 /nfs/dbraw/zinc/68/00/71/397680071.db2.gz VYODEUZMQWDUMQ-CQSZACIVSA-N 2 2 275.356 0.770 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCOC[C@@H]1c1ccnn1C ZINC000649885616 397680074 /nfs/dbraw/zinc/68/00/74/397680074.db2.gz VYODEUZMQWDUMQ-CQSZACIVSA-N 2 2 275.356 0.770 20 0 CCADLP COCC[NH2+]C1CC[NH+](Cc2ccc(N)nc2)CC1 ZINC000650704679 397746748 /nfs/dbraw/zinc/74/67/48/397746748.db2.gz RCCCDQGSUDCCRE-UHFFFAOYSA-N 2 2 264.373 0.695 20 0 CCADLP C[C@@]1(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)C2)CC[NH2+]C1 ZINC000261543650 289164144 /nfs/dbraw/zinc/16/41/44/289164144.db2.gz DDHXSJATNFGDNP-VXGBXAGGSA-N 2 2 260.403 0.495 20 0 CCADLP C[C@@]1(C[N@H+]2CCC[C@@H](S(C)(=O)=O)C2)CC[NH2+]C1 ZINC000261543650 289164146 /nfs/dbraw/zinc/16/41/46/289164146.db2.gz DDHXSJATNFGDNP-VXGBXAGGSA-N 2 2 260.403 0.495 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)Cc1c[nH+]cn1C ZINC000548191452 286015022 /nfs/dbraw/zinc/01/50/22/286015022.db2.gz STHMVHPWJNOPQG-UHFFFAOYSA-N 2 2 261.329 0.708 20 0 CCADLP CC[N@H+](CCNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC000548191524 286015227 /nfs/dbraw/zinc/01/52/27/286015227.db2.gz KZTQHSBJUJQZGM-UHFFFAOYSA-N 2 2 250.346 0.563 20 0 CCADLP CC[N@@H+](CCNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC000548191524 286015228 /nfs/dbraw/zinc/01/52/28/286015228.db2.gz KZTQHSBJUJQZGM-UHFFFAOYSA-N 2 2 250.346 0.563 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548609235 286051939 /nfs/dbraw/zinc/05/19/39/286051939.db2.gz WMDMGTTZLVIQMV-VXGBXAGGSA-N 2 2 288.355 0.782 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000548817025 286071207 /nfs/dbraw/zinc/07/12/07/286071207.db2.gz KUGGKIVJNCAVQV-AWEZNQCLSA-N 2 2 294.399 0.532 20 0 CCADLP C[C@H](C(=O)N(C)C)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000576283506 335182798 /nfs/dbraw/zinc/18/27/98/335182798.db2.gz RXKPRMHVEBVSIE-GFCCVEGCSA-N 2 2 283.416 0.290 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000247535797 289243787 /nfs/dbraw/zinc/24/37/87/289243787.db2.gz ORLGVJARCAEJDC-OLZOCXBDSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422709739 287034586 /nfs/dbraw/zinc/03/45/86/287034586.db2.gz DVWXFBTZWCNDTA-XHSDSOJGSA-N 3 2 282.476 0.990 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000333246047 287057610 /nfs/dbraw/zinc/05/76/10/287057610.db2.gz FSZNXIMWUXCLGI-UTUOFQBUSA-N 2 2 275.418 0.141 20 0 CCADLP C[C@@H](c1nncn1C)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344063093 287161878 /nfs/dbraw/zinc/16/18/78/287161878.db2.gz NZELRIUYCALQBJ-ZDUSSCGKSA-N 2 2 282.436 0.691 20 0 CCADLP C[C@@H](c1nncn1C)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344063093 287161880 /nfs/dbraw/zinc/16/18/80/287161880.db2.gz NZELRIUYCALQBJ-ZDUSSCGKSA-N 2 2 282.436 0.691 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000122698223 411707876 /nfs/dbraw/zinc/70/78/76/411707876.db2.gz KHLQIVODNLHRNX-RQJABVFESA-N 2 2 283.416 0.681 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000122698223 411707879 /nfs/dbraw/zinc/70/78/79/411707879.db2.gz KHLQIVODNLHRNX-RQJABVFESA-N 2 2 283.416 0.681 20 0 CCADLP C[C@H]1C[NH2+]C[C@H]([NH2+]CC(=O)NCC(F)(F)F)C1 ZINC000401710041 411781214 /nfs/dbraw/zinc/78/12/14/411781214.db2.gz HKDLAQFGVZTTDA-HTQZYQBOSA-N 2 2 253.268 0.253 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)n1C ZINC000132376990 411725631 /nfs/dbraw/zinc/72/56/31/411725631.db2.gz NZWHTTODCJJITB-UTUOFQBUSA-N 2 2 250.346 0.896 20 0 CCADLP C[N@H+]1CCN(C(=O)CCc2ccncc2)[C@@H](C[NH3+])C1 ZINC000132838623 411727845 /nfs/dbraw/zinc/72/78/45/411727845.db2.gz ZBLZGRQOEIYXFU-ZDUSSCGKSA-N 2 2 262.357 0.116 20 0 CCADLP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405521493 411803757 /nfs/dbraw/zinc/80/37/57/411803757.db2.gz JFXAMENTSDXEJB-YNEHKIRRSA-N 2 2 271.405 0.587 20 0 CCADLP CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405521493 411803761 /nfs/dbraw/zinc/80/37/61/411803761.db2.gz JFXAMENTSDXEJB-YNEHKIRRSA-N 2 2 271.405 0.587 20 0 CCADLP C[C@H](CC(=O)N1CC[NH+](C(C)(C)CO)CC1)n1cc[nH+]c1 ZINC000651589832 411902683 /nfs/dbraw/zinc/90/26/83/411902683.db2.gz SSZUURJTUVDJRB-CYBMUJFWSA-N 2 2 294.399 0.749 20 0 CCADLP Cc1cc(N2CC([N@H+]3CC[C@@H](O)C3)C2)nc(C2CC2)[nH+]1 ZINC000651452681 411876609 /nfs/dbraw/zinc/87/66/09/411876609.db2.gz VQPMYLLRHPAQRH-CYBMUJFWSA-N 2 2 274.368 0.918 20 0 CCADLP COCC[N@@H+]1CC[C@H]([NH2+]CCC2(CO)CCC2)C1 ZINC000652036855 411979769 /nfs/dbraw/zinc/97/97/69/411979769.db2.gz YIGGXRRZZSMABJ-ZDUSSCGKSA-N 2 2 256.390 0.849 20 0 CCADLP COCC[N@H+]1CC[C@H]([NH2+]CCC2(CO)CCC2)C1 ZINC000652036855 411979773 /nfs/dbraw/zinc/97/97/73/411979773.db2.gz YIGGXRRZZSMABJ-ZDUSSCGKSA-N 2 2 256.390 0.849 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(-c2nncnn2)cc1 ZINC000652033308 411979922 /nfs/dbraw/zinc/97/99/22/411979922.db2.gz ONJNAGBOEMKAHQ-SMDDNHRTSA-N 2 2 284.367 0.973 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(-c2nncnn2)cc1 ZINC000652033308 411979924 /nfs/dbraw/zinc/97/99/24/411979924.db2.gz ONJNAGBOEMKAHQ-SMDDNHRTSA-N 2 2 284.367 0.973 20 0 CCADLP C[C@H](NC(=O)NCCC1(C[NH3+])CC1)[C@H](C)[NH+]1CCOCC1 ZINC000652147388 411992968 /nfs/dbraw/zinc/99/29/68/411992968.db2.gz RXSGWTOLKHPTAL-STQMWFEESA-N 2 2 298.431 0.524 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000652166436 411994423 /nfs/dbraw/zinc/99/44/23/411994423.db2.gz RZVAKCJSEDZBNR-NSHDSACASA-N 2 2 264.373 0.828 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000651921070 411961984 /nfs/dbraw/zinc/96/19/84/411961984.db2.gz ROWFOZMYCZDMHU-WZRBSPASSA-N 2 2 287.429 0.093 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000651921070 411961989 /nfs/dbraw/zinc/96/19/89/411961989.db2.gz ROWFOZMYCZDMHU-WZRBSPASSA-N 2 2 287.429 0.093 20 0 CCADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(c2cccs2)CC1 ZINC000652339507 412031527 /nfs/dbraw/zinc/03/15/27/412031527.db2.gz YNVYYPBGTPOSTL-ZDUSSCGKSA-N 2 2 269.414 0.841 20 0 CCADLP COc1ccc(CN(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653058069 412205107 /nfs/dbraw/zinc/20/51/07/412205107.db2.gz CBYYFKNSFKLZQO-CQSZACIVSA-N 2 2 279.384 0.933 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCCOCC(F)(F)F ZINC000653068387 412207078 /nfs/dbraw/zinc/20/70/78/412207078.db2.gz ALEZBIIQTNUNKM-VIFPVBQESA-N 2 2 285.310 0.351 20 0 CCADLP COc1ccc(OC)c(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000653064248 412207430 /nfs/dbraw/zinc/20/74/30/412207430.db2.gz LWQHFLJXJGNJQY-ZDUSSCGKSA-N 2 2 295.383 0.599 20 0 CCADLP COc1cccc(CCNC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000653066450 412207650 /nfs/dbraw/zinc/20/76/50/412207650.db2.gz SQGVOBYBQGHQBR-CQSZACIVSA-N 2 2 279.384 0.633 20 0 CCADLP CCCn1nccc1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653068662 412207913 /nfs/dbraw/zinc/20/79/13/412207913.db2.gz LTALTQLUJYMCNR-SNVBAGLBSA-N 2 2 253.350 0.511 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1ccc2c(c1)CCO2 ZINC000653070935 412208882 /nfs/dbraw/zinc/20/88/82/412208882.db2.gz OJWXOBUBPSFSHG-ZDUSSCGKSA-N 2 2 277.368 0.517 20 0 CCADLP CCCNC(=O)CN(CCC)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653075282 412210059 /nfs/dbraw/zinc/21/00/59/412210059.db2.gz MDQQHLOQGVMCHN-LBPRGKRZSA-N 2 2 286.420 0.030 20 0 CCADLP C[C@H](COc1cccc(F)c1)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653076362 412210334 /nfs/dbraw/zinc/21/03/34/412210334.db2.gz SJSKLTMPQDUJFJ-RISCZKNCSA-N 2 2 297.374 0.988 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000653082913 412213266 /nfs/dbraw/zinc/21/32/66/412213266.db2.gz IUILPQVKVWQQHO-ZDUSSCGKSA-N 2 2 288.355 0.485 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cc2c([nH]c1=O)CCCC2 ZINC000653192761 412254722 /nfs/dbraw/zinc/25/47/22/412254722.db2.gz VZIJZDDGVDAIGY-LLVKDONJSA-N 2 2 292.383 0.884 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1ccc(C[NH3+])cc1F ZINC000653222869 412262626 /nfs/dbraw/zinc/26/26/26/412262626.db2.gz SLZMUGOWFBDTGB-CYBMUJFWSA-N 3 2 282.363 0.180 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC1(CS(C)(=O)=O)CC1 ZINC000653299456 412284927 /nfs/dbraw/zinc/28/49/27/412284927.db2.gz UZSABTURYRUWIG-MNOVXSKESA-N 2 2 260.403 0.623 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC1(CS(C)(=O)=O)CC1 ZINC000653299456 412284928 /nfs/dbraw/zinc/28/49/28/412284928.db2.gz UZSABTURYRUWIG-MNOVXSKESA-N 2 2 260.403 0.623 20 0 CCADLP Cc1nc(C)c(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)s1 ZINC000653098834 412217190 /nfs/dbraw/zinc/21/71/90/412217190.db2.gz YZINARZWLSBYTE-VIFPVBQESA-N 2 2 256.375 0.977 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000653105357 412219691 /nfs/dbraw/zinc/21/96/91/412219691.db2.gz REGYBHNHLXAKGD-HUUCEWRRSA-N 3 2 292.427 0.685 20 0 CCADLP CC[NH+](CC)CCCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653105162 412219963 /nfs/dbraw/zinc/21/99/63/412219963.db2.gz ISUMNHKIKLUSJN-GFCCVEGCSA-N 3 2 258.410 0.114 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000653108938 412221259 /nfs/dbraw/zinc/22/12/59/412221259.db2.gz MUJGLBSSSRDKHW-OAHLLOKOSA-N 3 2 296.459 0.789 20 0 CCADLP CC(C)C[C@@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)[NH+](C)C ZINC000653108124 412221336 /nfs/dbraw/zinc/22/13/36/412221336.db2.gz JPWGBIAYLYZLEF-QWHCGFSZSA-N 3 2 272.437 0.358 20 0 CCADLP CN(CCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)CC(F)(F)F ZINC000653110260 412221357 /nfs/dbraw/zinc/22/13/57/412221357.db2.gz AJAWBVMXRQJHDM-JTQLQIEISA-N 2 2 298.353 0.266 20 0 CCADLP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653111772 412224040 /nfs/dbraw/zinc/22/40/40/412224040.db2.gz AJNCTMXSYOBBGG-NWDGAFQWSA-N 3 2 258.410 0.112 20 0 CCADLP COc1ccncc1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653114217 412225507 /nfs/dbraw/zinc/22/55/07/412225507.db2.gz AKEYUFDWEHMZMQ-VIFPVBQESA-N 2 2 252.318 0.308 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653116260 412225630 /nfs/dbraw/zinc/22/56/30/412225630.db2.gz AEQFYDHXACRXLE-KBPBESRZSA-N 2 2 295.427 0.744 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653116260 412225634 /nfs/dbraw/zinc/22/56/34/412225634.db2.gz AEQFYDHXACRXLE-KBPBESRZSA-N 2 2 295.427 0.744 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000653117345 412227781 /nfs/dbraw/zinc/22/77/81/412227781.db2.gz JHSDFLVECRZTOF-KGLIPLIRSA-N 3 2 282.432 0.352 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653116641 412228212 /nfs/dbraw/zinc/22/82/12/412228212.db2.gz NVSBITZNTPXVEO-CHWSQXEVSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653116641 412228213 /nfs/dbraw/zinc/22/82/13/412228213.db2.gz NVSBITZNTPXVEO-CHWSQXEVSA-N 2 2 269.389 0.213 20 0 CCADLP Cc1cccc2nc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)cn21 ZINC000653118464 412228527 /nfs/dbraw/zinc/22/85/27/412228527.db2.gz MTEXJYQLJXKVJF-CYBMUJFWSA-N 2 2 289.383 0.538 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000653120029 412229448 /nfs/dbraw/zinc/22/94/48/412229448.db2.gz CTWWXVCYILEWPH-CHWSQXEVSA-N 3 2 286.464 0.748 20 0 CCADLP C[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000653121988 412230275 /nfs/dbraw/zinc/23/02/75/412230275.db2.gz IEEXCQGXPHASOE-NWDGAFQWSA-N 3 2 272.437 0.358 20 0 CCADLP C[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000653121989 412230471 /nfs/dbraw/zinc/23/04/71/412230471.db2.gz IEEXCQGXPHASOE-RYUDHWBXSA-N 3 2 272.437 0.358 20 0 CCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@@H](C)C1 ZINC000653122412 412231945 /nfs/dbraw/zinc/23/19/45/412231945.db2.gz WIJQAHJHFZDTRW-IHRRRGAJSA-N 3 2 284.448 0.454 20 0 CCADLP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@@H](C)C1 ZINC000653122412 412231950 /nfs/dbraw/zinc/23/19/50/412231950.db2.gz WIJQAHJHFZDTRW-IHRRRGAJSA-N 3 2 284.448 0.454 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C[N@@H+]1C1CC1 ZINC000653123699 412232725 /nfs/dbraw/zinc/23/27/25/412232725.db2.gz DQEPMULRJTYNLP-MDZLAQPJSA-N 3 2 268.405 0.007 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C[N@H+]1C1CC1 ZINC000653123699 412232726 /nfs/dbraw/zinc/23/27/26/412232726.db2.gz DQEPMULRJTYNLP-MDZLAQPJSA-N 3 2 268.405 0.007 20 0 CCADLP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653148247 412241861 /nfs/dbraw/zinc/24/18/61/412241861.db2.gz UASFPQSGABHOPY-CYBMUJFWSA-N 3 2 272.437 0.312 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653148638 412242601 /nfs/dbraw/zinc/24/26/01/412242601.db2.gz GQWBBDGKRYLDON-CYBMUJFWSA-N 2 2 269.389 0.167 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC[C@H]1CCCCO1 ZINC000653151601 412242938 /nfs/dbraw/zinc/24/29/38/412242938.db2.gz LMCLKUBSIRIBBR-NEPJUHHUSA-N 2 2 257.378 0.341 20 0 CCADLP CCC[C@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CCO1 ZINC000653151160 412243413 /nfs/dbraw/zinc/24/34/13/412243413.db2.gz YXRNIMXAWZNYMB-RYUDHWBXSA-N 2 2 257.378 0.293 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC([C@H]2CCCO2)CC1 ZINC000653150728 412243493 /nfs/dbraw/zinc/24/34/93/412243493.db2.gz MWRZXKJJSPXSMD-UONOGXRCSA-N 2 2 283.416 0.683 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CCO1 ZINC000653150605 412243714 /nfs/dbraw/zinc/24/37/14/412243714.db2.gz HAKIAUCOTYBUFD-NEPJUHHUSA-N 2 2 257.378 0.149 20 0 CCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653151612 412243805 /nfs/dbraw/zinc/24/38/05/412243805.db2.gz LPQLTVRPPVIBAP-CHWSQXEVSA-N 3 2 270.421 0.064 20 0 CCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653151612 412243807 /nfs/dbraw/zinc/24/38/07/412243807.db2.gz LPQLTVRPPVIBAP-CHWSQXEVSA-N 3 2 270.421 0.064 20 0 CCADLP Cc1cnc([C@@H](C)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)s1 ZINC000653155838 412244717 /nfs/dbraw/zinc/24/47/17/412244717.db2.gz IRWNXWVDVKLYJR-ONGXEEELSA-N 2 2 284.429 0.950 20 0 CCADLP CC(C)C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)CCO1 ZINC000653154228 412244737 /nfs/dbraw/zinc/24/47/37/412244737.db2.gz LYQICQUAWOAQFC-MGPQQGTHSA-N 2 2 285.432 0.975 20 0 CCADLP O=C1NCC[NH2+][C@H]1c1ccccc1C1=CC[NH2+]CC1 ZINC000653510303 412309664 /nfs/dbraw/zinc/30/96/64/412309664.db2.gz XCZZNWMXNUIKOT-AWEZNQCLSA-N 2 2 257.337 0.824 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(OC(C)C)CC1 ZINC000653554806 412317804 /nfs/dbraw/zinc/31/78/04/412317804.db2.gz YBDNBUOFECMFNR-AWEZNQCLSA-N 2 2 288.432 0.815 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(OC(C)C)CC1 ZINC000653554806 412317805 /nfs/dbraw/zinc/31/78/05/412317805.db2.gz YBDNBUOFECMFNR-AWEZNQCLSA-N 2 2 288.432 0.815 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCOC(C)(C)[C@@H]1C ZINC000653569893 412319057 /nfs/dbraw/zinc/31/90/57/412319057.db2.gz QDGFGAUKDVDSFJ-STQMWFEESA-N 2 2 274.405 0.425 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCOC(C)(C)[C@@H]1C ZINC000653569893 412319060 /nfs/dbraw/zinc/31/90/60/412319060.db2.gz QDGFGAUKDVDSFJ-STQMWFEESA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000653569893 412319062 /nfs/dbraw/zinc/31/90/62/412319062.db2.gz QDGFGAUKDVDSFJ-STQMWFEESA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000653569893 412319066 /nfs/dbraw/zinc/31/90/66/412319066.db2.gz QDGFGAUKDVDSFJ-STQMWFEESA-N 2 2 274.405 0.425 20 0 CCADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CC[C@H]2CCNC2=O)C1 ZINC000653578972 412320953 /nfs/dbraw/zinc/32/09/53/412320953.db2.gz HXZDROICEVJFCH-CHWSQXEVSA-N 2 2 253.390 0.975 20 0 CCADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CC[C@H]2CCNC2=O)C1 ZINC000653578972 412320956 /nfs/dbraw/zinc/32/09/56/412320956.db2.gz HXZDROICEVJFCH-CHWSQXEVSA-N 2 2 253.390 0.975 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)Nc2ccon2)C1 ZINC000653592343 412321976 /nfs/dbraw/zinc/32/19/76/412321976.db2.gz WKLOOFQVRYDPRW-JTQLQIEISA-N 2 2 275.312 0.258 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)Nc2ccon2)C1 ZINC000653592343 412321980 /nfs/dbraw/zinc/32/19/80/412321980.db2.gz WKLOOFQVRYDPRW-JTQLQIEISA-N 2 2 275.312 0.258 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](OC(F)F)C1 ZINC000653611338 412324957 /nfs/dbraw/zinc/32/49/57/412324957.db2.gz UZCHXZJDFCLYNQ-VXGBXAGGSA-N 2 2 296.358 0.629 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](OC(F)F)C1 ZINC000653611338 412324960 /nfs/dbraw/zinc/32/49/60/412324960.db2.gz UZCHXZJDFCLYNQ-VXGBXAGGSA-N 2 2 296.358 0.629 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000653611338 412324964 /nfs/dbraw/zinc/32/49/64/412324964.db2.gz UZCHXZJDFCLYNQ-VXGBXAGGSA-N 2 2 296.358 0.629 20 0 CCADLP C[C@@H](c1nccc(N)n1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000653777678 412345280 /nfs/dbraw/zinc/34/52/80/412345280.db2.gz SBHZAOLXNFYUNT-LBPRGKRZSA-N 2 2 291.399 0.916 20 0 CCADLP C[C@@H](c1nccc(N)n1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000653777678 412345283 /nfs/dbraw/zinc/34/52/83/412345283.db2.gz SBHZAOLXNFYUNT-LBPRGKRZSA-N 2 2 291.399 0.916 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3C[NH+]4CCN3CC4)ccn12 ZINC000654933261 412452172 /nfs/dbraw/zinc/45/21/72/412452172.db2.gz XOJCMZTVHRFRNG-AWEZNQCLSA-N 2 2 299.378 0.372 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000655052639 412468102 /nfs/dbraw/zinc/46/81/02/412468102.db2.gz NJDFJJMGJBJERC-NSHDSACASA-N 2 2 262.357 0.654 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)NCCCNc1cccc[nH+]1 ZINC000659436970 413496492 /nfs/dbraw/zinc/49/64/92/413496492.db2.gz WPWAYUNKILEYHF-NSHDSACASA-N 2 2 265.361 0.791 20 0 CCADLP C[C@H]1C[C@H](NC(=O)N(C)CCC[NH3+])c2[nH+]ccn21 ZINC000659502296 413556470 /nfs/dbraw/zinc/55/64/70/413556470.db2.gz VEQOFKAJWRHWAS-UWVGGRQHSA-N 2 2 251.334 0.879 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000659506624 413564545 /nfs/dbraw/zinc/56/45/45/413564545.db2.gz DEJVUQHYGYUBMF-JTQLQIEISA-N 2 2 251.334 0.693 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000659506624 413564553 /nfs/dbraw/zinc/56/45/53/413564553.db2.gz DEJVUQHYGYUBMF-JTQLQIEISA-N 2 2 251.334 0.693 20 0 CCADLP O=C(NC[C@@H]1CCCC[NH2+]1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659507320 413568714 /nfs/dbraw/zinc/56/87/14/413568714.db2.gz HWNCOYVVOIXNKQ-UONOGXRCSA-N 2 2 296.415 0.245 20 0 CCADLP O=C(NC[C@H]1CCC[NH2+]C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659509820 413570835 /nfs/dbraw/zinc/57/08/35/413570835.db2.gz ISSNRNQOGARWPZ-UONOGXRCSA-N 2 2 296.415 0.102 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000659516298 413580986 /nfs/dbraw/zinc/58/09/86/413580986.db2.gz PKUAERHMVOUNDP-AWEZNQCLSA-N 2 2 296.415 0.102 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659523839 413597919 /nfs/dbraw/zinc/59/79/19/413597919.db2.gz XMKAWLGYLYVGGT-KGLIPLIRSA-N 2 2 298.431 0.476 20 0 CCADLP O=C(NCc1ccc[nH+]c1N1CCCC1)NCC1C[NH2+]C1 ZINC000659527055 413603316 /nfs/dbraw/zinc/60/33/16/413603316.db2.gz HXSPAWMKGYDMMK-UHFFFAOYSA-N 2 2 289.383 0.700 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659513626 413578121 /nfs/dbraw/zinc/57/81/21/413578121.db2.gz XLOUBBJMIMQKAF-AWEZNQCLSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC[NH2+]1 ZINC000659543551 413632512 /nfs/dbraw/zinc/63/25/12/413632512.db2.gz QXCAYGFYDBMWHR-MCIONIFRSA-N 2 2 296.415 0.243 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000659641622 413746616 /nfs/dbraw/zinc/74/66/16/413746616.db2.gz SSNYOOPUECQCMI-CYBMUJFWSA-N 2 2 291.399 0.517 20 0 CCADLP C[C@@H]1C[C@H]([NH+](C)CCN2C(=O)CN(C)C2=O)CC[N@@H+]1C ZINC000659983805 414021240 /nfs/dbraw/zinc/02/12/40/414021240.db2.gz WCZBJEZHIDWEOQ-VXGBXAGGSA-N 2 2 282.388 0.295 20 0 CCADLP C[C@@H]1C[C@H]([NH+](C)CCN2C(=O)CN(C)C2=O)CC[N@H+]1C ZINC000659983805 414021244 /nfs/dbraw/zinc/02/12/44/414021244.db2.gz WCZBJEZHIDWEOQ-VXGBXAGGSA-N 2 2 282.388 0.295 20 0 CCADLP C[C@@H]1C[C@H]([N@H+](C)CCN2C(=O)CN(C)C2=O)CC[NH+]1C ZINC000659983805 414021252 /nfs/dbraw/zinc/02/12/52/414021252.db2.gz WCZBJEZHIDWEOQ-VXGBXAGGSA-N 2 2 282.388 0.295 20 0 CCADLP C[C@@H]1C[C@H]([N@@H+](C)CCN2C(=O)CN(C)C2=O)CC[NH+]1C ZINC000659983805 414021259 /nfs/dbraw/zinc/02/12/59/414021259.db2.gz WCZBJEZHIDWEOQ-VXGBXAGGSA-N 2 2 282.388 0.295 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@]1(C)C(N)=O ZINC000660277020 414226130 /nfs/dbraw/zinc/22/61/30/414226130.db2.gz UFLONKDJXJGCFJ-JSGCOSHPSA-N 2 2 271.405 0.417 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@]1(C)C(N)=O ZINC000660277020 414226136 /nfs/dbraw/zinc/22/61/36/414226136.db2.gz UFLONKDJXJGCFJ-JSGCOSHPSA-N 2 2 271.405 0.417 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000660277020 414226141 /nfs/dbraw/zinc/22/61/41/414226141.db2.gz UFLONKDJXJGCFJ-JSGCOSHPSA-N 2 2 271.405 0.417 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000660277020 414226145 /nfs/dbraw/zinc/22/61/45/414226145.db2.gz UFLONKDJXJGCFJ-JSGCOSHPSA-N 2 2 271.405 0.417 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](n2cncn2)C1 ZINC000660323608 414245610 /nfs/dbraw/zinc/24/56/10/414245610.db2.gz AUMLUFYQQJZADB-STQMWFEESA-N 2 2 267.377 0.226 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](n2cncn2)C1 ZINC000660323608 414245617 /nfs/dbraw/zinc/24/56/17/414245617.db2.gz AUMLUFYQQJZADB-STQMWFEESA-N 2 2 267.377 0.226 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000660323608 414245622 /nfs/dbraw/zinc/24/56/22/414245622.db2.gz AUMLUFYQQJZADB-STQMWFEESA-N 2 2 267.377 0.226 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000660323608 414245628 /nfs/dbraw/zinc/24/56/28/414245628.db2.gz AUMLUFYQQJZADB-STQMWFEESA-N 2 2 267.377 0.226 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(Cc2cn(C)c[nH+]2)[C@@H](C)C1 ZINC000660328548 414247260 /nfs/dbraw/zinc/24/72/60/414247260.db2.gz LJQQDKSNXJSMGI-RYUDHWBXSA-N 2 2 252.362 0.307 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(Cc2cn(C)c[nH+]2)[C@@H](C)C1 ZINC000660328548 414247266 /nfs/dbraw/zinc/24/72/66/414247266.db2.gz LJQQDKSNXJSMGI-RYUDHWBXSA-N 2 2 252.362 0.307 20 0 CCADLP COc1c[nH+]ccc1N1CC[NH+](CCc2cn[nH]n2)CC1 ZINC000660452708 414335318 /nfs/dbraw/zinc/33/53/18/414335318.db2.gz AZURQDCIABWNGS-UHFFFAOYSA-N 2 2 288.355 0.573 20 0 CCADLP COc1c[nH+]ccc1N1CC[NH+](CCc2c[nH]nn2)CC1 ZINC000660452708 414335324 /nfs/dbraw/zinc/33/53/24/414335324.db2.gz AZURQDCIABWNGS-UHFFFAOYSA-N 2 2 288.355 0.573 20 0 CCADLP CN(CCC[N@H+](C)Cc1cn(C)cn1)CC[NH+](C)C ZINC000660561410 414391644 /nfs/dbraw/zinc/39/16/44/414391644.db2.gz SOYYRHBIXVPVAN-UHFFFAOYSA-N 2 2 267.421 0.735 20 0 CCADLP CN(CCC[N@@H+](C)Cc1cn(C)cn1)CC[NH+](C)C ZINC000660561410 414391645 /nfs/dbraw/zinc/39/16/45/414391645.db2.gz SOYYRHBIXVPVAN-UHFFFAOYSA-N 2 2 267.421 0.735 20 0 CCADLP CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660664026 414434043 /nfs/dbraw/zinc/43/40/43/414434043.db2.gz PJHILYVDDXBYES-CYBMUJFWSA-N 2 2 289.445 0.296 20 0 CCADLP CN(C)S(=O)(=O)CC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660664026 414434045 /nfs/dbraw/zinc/43/40/45/414434045.db2.gz PJHILYVDDXBYES-CYBMUJFWSA-N 2 2 289.445 0.296 20 0 CCADLP CN(C)S(=O)(=O)CC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660664026 414434048 /nfs/dbraw/zinc/43/40/48/414434048.db2.gz PJHILYVDDXBYES-CYBMUJFWSA-N 2 2 289.445 0.296 20 0 CCADLP CN(C)S(=O)(=O)CC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660664026 414434049 /nfs/dbraw/zinc/43/40/49/414434049.db2.gz PJHILYVDDXBYES-CYBMUJFWSA-N 2 2 289.445 0.296 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000661303491 414594740 /nfs/dbraw/zinc/59/47/40/414594740.db2.gz MLAWQJOZSIHIBD-ZDUSSCGKSA-N 2 2 279.388 0.746 20 0 CCADLP COc1ccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1O ZINC000038031003 174023730 /nfs/dbraw/zinc/02/37/30/174023730.db2.gz VWENYZNUFPYEAV-UHFFFAOYSA-N 2 2 293.367 0.264 20 0 CCADLP COc1ccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc1O ZINC000038031003 174023732 /nfs/dbraw/zinc/02/37/32/174023732.db2.gz VWENYZNUFPYEAV-UHFFFAOYSA-N 2 2 293.367 0.264 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCS(C)(=O)=O ZINC000038047565 174057771 /nfs/dbraw/zinc/05/77/71/174057771.db2.gz ZRSCHXYBRBZJRH-WOPDTQHZSA-N 2 2 262.419 0.739 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCS(C)(=O)=O ZINC000038047565 174057774 /nfs/dbraw/zinc/05/77/74/174057774.db2.gz ZRSCHXYBRBZJRH-WOPDTQHZSA-N 2 2 262.419 0.739 20 0 CCADLP CC[NH+]1CCC([NH2+]C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000038082558 174091739 /nfs/dbraw/zinc/09/17/39/174091739.db2.gz GWCDTSCLJGCFGF-NSHDSACASA-N 2 2 260.403 0.495 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000661596664 414647014 /nfs/dbraw/zinc/64/70/14/414647014.db2.gz KCPMMOAYJSZTKP-CHWSQXEVSA-N 2 2 262.357 0.792 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000661596664 414647017 /nfs/dbraw/zinc/64/70/17/414647017.db2.gz KCPMMOAYJSZTKP-CHWSQXEVSA-N 2 2 262.357 0.792 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)CC1=CCCOC1 ZINC000661651565 414659566 /nfs/dbraw/zinc/65/95/66/414659566.db2.gz ATUIAQRCJHERAN-AWEZNQCLSA-N 2 2 256.390 0.966 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)CC1=CCCOC1 ZINC000661651565 414659568 /nfs/dbraw/zinc/65/95/68/414659568.db2.gz ATUIAQRCJHERAN-AWEZNQCLSA-N 2 2 256.390 0.966 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)CC1=CCCOC1 ZINC000661651565 414659570 /nfs/dbraw/zinc/65/95/70/414659570.db2.gz ATUIAQRCJHERAN-AWEZNQCLSA-N 2 2 256.390 0.966 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)CC1=CCCOC1 ZINC000661651565 414659573 /nfs/dbraw/zinc/65/95/73/414659573.db2.gz ATUIAQRCJHERAN-AWEZNQCLSA-N 2 2 256.390 0.966 20 0 CCADLP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000662261880 414701785 /nfs/dbraw/zinc/70/17/85/414701785.db2.gz CBDNKKJJDBJNFR-GJZGRUSLSA-N 3 2 295.427 0.162 20 0 CCADLP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000662261880 414701786 /nfs/dbraw/zinc/70/17/86/414701786.db2.gz CBDNKKJJDBJNFR-GJZGRUSLSA-N 3 2 295.427 0.162 20 0 CCADLP Cc1cc(C[NH+]2CCN(C[C@@H]3C[NH2+]CCO3)CC2)on1 ZINC000662261229 414702247 /nfs/dbraw/zinc/70/22/47/414702247.db2.gz VDMHUEMHSXMPHE-AWEZNQCLSA-N 2 2 280.372 0.089 20 0 CCADLP Cc1nn(C)cc1[C@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662262311 414702258 /nfs/dbraw/zinc/70/22/58/414702258.db2.gz FIKRGTPLRQAUFZ-GXTWGEPZSA-N 2 2 264.373 0.854 20 0 CCADLP Cc1nn(C)cc1[C@H]1CCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662262311 414702259 /nfs/dbraw/zinc/70/22/59/414702259.db2.gz FIKRGTPLRQAUFZ-GXTWGEPZSA-N 2 2 264.373 0.854 20 0 CCADLP NS(=O)(=O)c1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)co1 ZINC000662266561 414703075 /nfs/dbraw/zinc/70/30/75/414703075.db2.gz NARHIGBEVQDCTF-SDDRHHMPSA-N 2 2 299.396 0.486 20 0 CCADLP NS(=O)(=O)c1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)co1 ZINC000662266561 414703076 /nfs/dbraw/zinc/70/30/76/414703076.db2.gz NARHIGBEVQDCTF-SDDRHHMPSA-N 2 2 299.396 0.486 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662267645 414703127 /nfs/dbraw/zinc/70/31/27/414703127.db2.gz XIMARRJLKRGYOV-LXTVHRRPSA-N 2 2 277.412 0.929 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662267645 414703128 /nfs/dbraw/zinc/70/31/28/414703128.db2.gz XIMARRJLKRGYOV-LXTVHRRPSA-N 2 2 277.412 0.929 20 0 CCADLP [NH3+]CC[N@@H+](Cc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662267568 414703363 /nfs/dbraw/zinc/70/33/63/414703363.db2.gz WYGVCROEKHPCNN-HNNXBMFYSA-N 3 2 275.396 0.968 20 0 CCADLP [NH3+]CC[N@H+](Cc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662267568 414703364 /nfs/dbraw/zinc/70/33/64/414703364.db2.gz WYGVCROEKHPCNN-HNNXBMFYSA-N 3 2 275.396 0.968 20 0 CCADLP [NH3+]CCC[N@H+](CC1CCCC1)C[C@@H]1C[NH2+]CCO1 ZINC000662272341 414703580 /nfs/dbraw/zinc/70/35/80/414703580.db2.gz FBXWYSAXBQYZKL-AWEZNQCLSA-N 3 2 255.406 0.816 20 0 CCADLP [NH3+]CCC[N@@H+](CC1CCCC1)C[C@@H]1C[NH2+]CCO1 ZINC000662272341 414703581 /nfs/dbraw/zinc/70/35/81/414703581.db2.gz FBXWYSAXBQYZKL-AWEZNQCLSA-N 3 2 255.406 0.816 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000662276161 414704429 /nfs/dbraw/zinc/70/44/29/414704429.db2.gz KEBVZLZQCFYGOO-RDBSUJKOSA-N 3 2 253.390 0.439 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000662276161 414704430 /nfs/dbraw/zinc/70/44/30/414704430.db2.gz KEBVZLZQCFYGOO-RDBSUJKOSA-N 3 2 253.390 0.439 20 0 CCADLP CCN1CC[C@@H]([N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC000662276291 414704441 /nfs/dbraw/zinc/70/44/41/414704441.db2.gz IUFMDNWBMWEBQL-OCCSQVGLSA-N 2 2 251.374 0.683 20 0 CCADLP CCN1CC[C@@H]([N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC000662276291 414704442 /nfs/dbraw/zinc/70/44/42/414704442.db2.gz IUFMDNWBMWEBQL-OCCSQVGLSA-N 2 2 251.374 0.683 20 0 CCADLP CCN1CC[C@@H]([N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)C1=O ZINC000662276292 414704518 /nfs/dbraw/zinc/70/45/18/414704518.db2.gz IUFMDNWBMWEBQL-TZMCWYRMSA-N 2 2 251.374 0.683 20 0 CCADLP CCN1CC[C@@H]([N@H+]2CCC[C@]3(CC[NH2+]C3)C2)C1=O ZINC000662276292 414704519 /nfs/dbraw/zinc/70/45/19/414704519.db2.gz IUFMDNWBMWEBQL-TZMCWYRMSA-N 2 2 251.374 0.683 20 0 CCADLP CO[C@@H](C[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)C1CCC1 ZINC000662282737 414705540 /nfs/dbraw/zinc/70/55/40/414705540.db2.gz JTTSAZCGSVRBRA-ZNMIVQPWSA-N 2 2 278.400 0.962 20 0 CCADLP CO[C@@H](C[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)C1CCC1 ZINC000662282737 414705541 /nfs/dbraw/zinc/70/55/41/414705541.db2.gz JTTSAZCGSVRBRA-ZNMIVQPWSA-N 2 2 278.400 0.962 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](CCO[C@@H]2CC2(F)F)CCCO1 ZINC000662281273 414705695 /nfs/dbraw/zinc/70/56/95/414705695.db2.gz MAPUMAVVQCGQDB-NXEZZACHSA-N 2 2 250.289 0.460 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)CCCO1 ZINC000662281273 414705696 /nfs/dbraw/zinc/70/56/96/414705696.db2.gz MAPUMAVVQCGQDB-NXEZZACHSA-N 2 2 250.289 0.460 20 0 CCADLP C[C@@H]1CC2(C[N@@H+]1C[C@@H]1C[NH2+]CCO1)CC[NH2+]CC2 ZINC000662283790 414706213 /nfs/dbraw/zinc/70/62/13/414706213.db2.gz QCNAAUSPCXIKQD-OLZOCXBDSA-N 3 2 253.390 0.439 20 0 CCADLP C[C@@H]1CC2(C[N@H+]1C[C@@H]1C[NH2+]CCO1)CC[NH2+]CC2 ZINC000662283790 414706214 /nfs/dbraw/zinc/70/62/14/414706214.db2.gz QCNAAUSPCXIKQD-OLZOCXBDSA-N 3 2 253.390 0.439 20 0 CCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)Nc1cccc(Cl)c1 ZINC000662285432 414706396 /nfs/dbraw/zinc/70/63/96/414706396.db2.gz AWDBHMYDMOGBPZ-UHFFFAOYSA-N 2 2 297.786 0.983 20 0 CCADLP [NH3+]CC[N@H+](CCCOc1ccccc1)C[C@@H](O)CO ZINC000662289468 414707052 /nfs/dbraw/zinc/70/70/52/414707052.db2.gz SDVLDGLGBOQUAI-CYBMUJFWSA-N 2 2 268.357 0.069 20 0 CCADLP [NH3+]CC[N@@H+](CCCOc1ccccc1)C[C@@H](O)CO ZINC000662289468 414707053 /nfs/dbraw/zinc/70/70/53/414707053.db2.gz SDVLDGLGBOQUAI-CYBMUJFWSA-N 2 2 268.357 0.069 20 0 CCADLP CC[C@@H](C)NC(=O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662317991 414709181 /nfs/dbraw/zinc/70/91/81/414709181.db2.gz VNEZJPANZQFNRD-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP CC[C@@H](C)NC(=O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662317991 414709182 /nfs/dbraw/zinc/70/91/82/414709182.db2.gz VNEZJPANZQFNRD-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP CC(C)(CNC(=O)C[N@@H+]1CC[C@H]2C[C@H]2C1)[NH+]1CCOCC1 ZINC000661976395 414685606 /nfs/dbraw/zinc/68/56/06/414685606.db2.gz SFZIEAZLOJWVGT-KBPBESRZSA-N 2 2 295.427 0.555 20 0 CCADLP CC(C)(CNC(=O)C[N@H+]1CC[C@H]2C[C@H]2C1)[NH+]1CCOCC1 ZINC000661976395 414685607 /nfs/dbraw/zinc/68/56/07/414685607.db2.gz SFZIEAZLOJWVGT-KBPBESRZSA-N 2 2 295.427 0.555 20 0 CCADLP CN(C)C(=O)N(C)[C@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000662010247 414686583 /nfs/dbraw/zinc/68/65/83/414686583.db2.gz CNVIUJSESTUWDM-LBPRGKRZSA-N 2 2 265.361 0.571 20 0 CCADLP CN(C)C(=O)N(C)[C@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000662010247 414686584 /nfs/dbraw/zinc/68/65/84/414686584.db2.gz CNVIUJSESTUWDM-LBPRGKRZSA-N 2 2 265.361 0.571 20 0 CCADLP C[C@@](O)(C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)C(F)(F)F ZINC000662151467 414693582 /nfs/dbraw/zinc/69/35/82/414693582.db2.gz HSXSCDPVXOLAMG-NWDGAFQWSA-N 2 2 296.333 0.831 20 0 CCADLP C[C@@](O)(C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)C(F)(F)F ZINC000662151467 414693583 /nfs/dbraw/zinc/69/35/83/414693583.db2.gz HSXSCDPVXOLAMG-NWDGAFQWSA-N 2 2 296.333 0.831 20 0 CCADLP C[C@H]1CN(CC[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CCO1 ZINC000662150675 414693970 /nfs/dbraw/zinc/69/39/70/414693970.db2.gz AARRNZGNVGMEPM-GOEBONIOSA-N 2 2 297.443 0.238 20 0 CCADLP C[C@H]1CN(CC[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)CCO1 ZINC000662150675 414693971 /nfs/dbraw/zinc/69/39/71/414693971.db2.gz AARRNZGNVGMEPM-GOEBONIOSA-N 2 2 297.443 0.238 20 0 CCADLP Cc1c(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cnn1C ZINC000662159417 414694045 /nfs/dbraw/zinc/69/40/45/414694045.db2.gz ZXKCYQCOFYIDPT-HNNXBMFYSA-N 2 2 278.400 0.760 20 0 CCADLP Cc1c(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cnn1C ZINC000662159417 414694046 /nfs/dbraw/zinc/69/40/46/414694046.db2.gz ZXKCYQCOFYIDPT-HNNXBMFYSA-N 2 2 278.400 0.760 20 0 CCADLP C[NH2+]C1CC[NH+](CCc2nnn(C(C)(C)C)n2)CC1 ZINC000662245484 414698677 /nfs/dbraw/zinc/69/86/77/414698677.db2.gz RIKOFYSJQUAOSC-UHFFFAOYSA-N 2 2 266.393 0.654 20 0 CCADLP CCC[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CC[NH2+]C1 ZINC000662244066 414698714 /nfs/dbraw/zinc/69/87/14/414698714.db2.gz BIVUBBSWDXFSGQ-CHWSQXEVSA-N 3 2 253.390 0.581 20 0 CCADLP CCC[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CC[NH2+]C1 ZINC000662244066 414698715 /nfs/dbraw/zinc/69/87/15/414698715.db2.gz BIVUBBSWDXFSGQ-CHWSQXEVSA-N 3 2 253.390 0.581 20 0 CCADLP CCCNC(=O)C1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662248459 414699191 /nfs/dbraw/zinc/69/91/91/414699191.db2.gz CAKHOCYVWOVDAF-ZDUSSCGKSA-N 2 2 269.389 0.213 20 0 CCADLP NC(=O)CC[N@@H+](Cc1ccccc1)C[C@H]1C[NH2+]CCO1 ZINC000662248766 414699375 /nfs/dbraw/zinc/69/93/75/414699375.db2.gz JFAKXCNHVQHXEC-CQSZACIVSA-N 2 2 277.368 0.352 20 0 CCADLP NC(=O)CC[N@H+](Cc1ccccc1)C[C@H]1C[NH2+]CCO1 ZINC000662248766 414699376 /nfs/dbraw/zinc/69/93/76/414699376.db2.gz JFAKXCNHVQHXEC-CQSZACIVSA-N 2 2 277.368 0.352 20 0 CCADLP CNC(=O)c1ccc(C[N@H+](C)C[C@@H]2C[NH2+]CCO2)cc1 ZINC000662248524 414699394 /nfs/dbraw/zinc/69/93/94/414699394.db2.gz FCNVIVVSCDSTBZ-AWEZNQCLSA-N 2 2 277.368 0.466 20 0 CCADLP CNC(=O)c1ccc(C[N@@H+](C)C[C@@H]2C[NH2+]CCO2)cc1 ZINC000662248524 414699395 /nfs/dbraw/zinc/69/93/95/414699395.db2.gz FCNVIVVSCDSTBZ-AWEZNQCLSA-N 2 2 277.368 0.466 20 0 CCADLP CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662256968 414700697 /nfs/dbraw/zinc/70/06/97/414700697.db2.gz KUNUYDVDRXPPAT-ZIAGYGMSSA-N 2 2 297.443 0.849 20 0 CCADLP CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662256968 414700698 /nfs/dbraw/zinc/70/06/98/414700698.db2.gz KUNUYDVDRXPPAT-ZIAGYGMSSA-N 2 2 297.443 0.849 20 0 CCADLP Oc1ccc(N2CC[NH+](C[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000662258068 414700929 /nfs/dbraw/zinc/70/09/29/414700929.db2.gz HRZPODICIYXHLM-OAHLLOKOSA-N 2 2 277.368 0.503 20 0 CCADLP CCCCNC(=O)[C@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662258407 414701043 /nfs/dbraw/zinc/70/10/43/414701043.db2.gz ULJFPJLZTGINNE-UONOGXRCSA-N 2 2 283.416 0.603 20 0 CCADLP CCCCNC(=O)[C@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662258407 414701044 /nfs/dbraw/zinc/70/10/44/414701044.db2.gz ULJFPJLZTGINNE-UONOGXRCSA-N 2 2 283.416 0.603 20 0 CCADLP C[C@@H](C[NH3+])C(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000662760058 414768243 /nfs/dbraw/zinc/76/82/43/414768243.db2.gz VMOJYIQSGVDPER-UWVGGRQHSA-N 2 2 250.346 0.924 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000662364654 414712106 /nfs/dbraw/zinc/71/21/06/414712106.db2.gz JRIRBGORLPMXLT-GFCCVEGCSA-N 2 2 260.341 0.991 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000662367820 414712123 /nfs/dbraw/zinc/71/21/23/414712123.db2.gz GUXAZVJPXRLORG-STQMWFEESA-N 2 2 271.405 0.457 20 0 CCADLP CC(C)[NH2+]CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000662427413 414717153 /nfs/dbraw/zinc/71/71/53/414717153.db2.gz OPWUQCJHKRIFSQ-UHFFFAOYSA-N 3 2 296.459 0.659 20 0 CCADLP C[C@H]1Cc2cc(C(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])ccc2O1 ZINC000662429652 414717402 /nfs/dbraw/zinc/71/74/02/414717402.db2.gz QJJVAHPBJMPBTM-FZMZJTMJSA-N 2 2 289.379 0.725 20 0 CCADLP C[C@H]1Cc2cc(C(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])ccc2O1 ZINC000662429652 414717403 /nfs/dbraw/zinc/71/74/03/414717403.db2.gz QJJVAHPBJMPBTM-FZMZJTMJSA-N 2 2 289.379 0.725 20 0 CCADLP CCc1c[nH]c(=O)c(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000662428557 414717544 /nfs/dbraw/zinc/71/75/44/414717544.db2.gz JGYYLTBZNXPCBB-NSHDSACASA-N 2 2 278.356 0.065 20 0 CCADLP CCc1c[nH]c(=O)c(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000662428557 414717545 /nfs/dbraw/zinc/71/75/45/414717545.db2.gz JGYYLTBZNXPCBB-NSHDSACASA-N 2 2 278.356 0.065 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCCc2cccnc2)[C@@H](C[NH3+])C1 ZINC000662428619 414717736 /nfs/dbraw/zinc/71/77/36/414717736.db2.gz KTYGCCFSHMGOBZ-AWEZNQCLSA-N 2 2 276.384 0.506 20 0 CCADLP C[N@H+]1CCN(C(=O)CCCc2cccnc2)[C@@H](C[NH3+])C1 ZINC000662428619 414717737 /nfs/dbraw/zinc/71/77/37/414717737.db2.gz KTYGCCFSHMGOBZ-AWEZNQCLSA-N 2 2 276.384 0.506 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662589684 414731016 /nfs/dbraw/zinc/73/10/16/414731016.db2.gz JAJJVOSGQQSCCA-GJZGRUSLSA-N 3 2 296.459 0.504 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000662666856 414739193 /nfs/dbraw/zinc/73/91/93/414739193.db2.gz WJYCTOONMHZLDK-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@H]1[NH2+]CCC1(C)C)[NH+]1CCOCC1 ZINC000662673966 414739711 /nfs/dbraw/zinc/73/97/11/414739711.db2.gz UHRPBZVQZIMHGI-UONOGXRCSA-N 2 2 297.443 0.848 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@@H]1[NH2+]CCC1(C)C)[NH+]1CCOCC1 ZINC000662673965 414739832 /nfs/dbraw/zinc/73/98/32/414739832.db2.gz UHRPBZVQZIMHGI-KGLIPLIRSA-N 2 2 297.443 0.848 20 0 CCADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000662685736 414741240 /nfs/dbraw/zinc/74/12/40/414741240.db2.gz HIAHNWBFAGXVBX-UHFFFAOYSA-N 2 2 292.383 0.817 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)C2([NH2+]C3CC3)CCC2)CCO1 ZINC000662701138 414743390 /nfs/dbraw/zinc/74/33/90/414743390.db2.gz MGGNQKZYTLIJAK-LBPRGKRZSA-N 2 2 281.400 0.498 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)C2([NH2+]C3CC3)CCC2)CCO1 ZINC000662701138 414743391 /nfs/dbraw/zinc/74/33/91/414743391.db2.gz MGGNQKZYTLIJAK-LBPRGKRZSA-N 2 2 281.400 0.498 20 0 CCADLP CC1(C)CC[NH2+][C@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000662716090 414745546 /nfs/dbraw/zinc/74/55/46/414745546.db2.gz ZADVNVNOWHDHNZ-LBPRGKRZSA-N 2 2 283.416 0.602 20 0 CCADLP CC1(C)CC[NH2+][C@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000662716090 414745547 /nfs/dbraw/zinc/74/55/47/414745547.db2.gz ZADVNVNOWHDHNZ-LBPRGKRZSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C2([NH3+])CCCC2)[C@@H](C)CO1 ZINC000662861276 414852816 /nfs/dbraw/zinc/85/28/16/414852816.db2.gz ZHSUZOZLKVQERR-NWDGAFQWSA-N 2 2 269.389 0.483 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2([NH3+])CCCC2)[C@@H](C)CO1 ZINC000662861276 414852825 /nfs/dbraw/zinc/85/28/25/414852825.db2.gz ZHSUZOZLKVQERR-NWDGAFQWSA-N 2 2 269.389 0.483 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)CCOC1C[NH2+]C1 ZINC000662898780 414878122 /nfs/dbraw/zinc/87/81/22/414878122.db2.gz AWNPEKFYMOIJPN-SNVBAGLBSA-N 2 2 266.345 0.459 20 0 CCADLP CN(C(=O)C[NH2+]C1CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662901047 414879177 /nfs/dbraw/zinc/87/91/77/414879177.db2.gz SFCPKQAQEREIDI-OAHLLOKOSA-N 3 2 294.443 0.365 20 0 CCADLP CN(C(=O)C[NH2+]C1CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662901047 414879182 /nfs/dbraw/zinc/87/91/82/414879182.db2.gz SFCPKQAQEREIDI-OAHLLOKOSA-N 3 2 294.443 0.365 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899090 414880558 /nfs/dbraw/zinc/88/05/58/414880558.db2.gz AWNWVLUEMDDXBE-HUUCEWRRSA-N 3 2 296.459 0.597 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899090 414880561 /nfs/dbraw/zinc/88/05/61/414880561.db2.gz AWNWVLUEMDDXBE-HUUCEWRRSA-N 3 2 296.459 0.597 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)c2conc2C(C)(C)[NH3+])CCO1 ZINC000575136664 335071589 /nfs/dbraw/zinc/07/15/89/335071589.db2.gz GLVZXXJPBVMLNK-SNVBAGLBSA-N 2 2 296.371 0.319 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)c2conc2C(C)(C)[NH3+])CCO1 ZINC000575136664 335071590 /nfs/dbraw/zinc/07/15/90/335071590.db2.gz GLVZXXJPBVMLNK-SNVBAGLBSA-N 2 2 296.371 0.319 20 0 CCADLP CC(C)CNC(=O)[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000663304590 415040136 /nfs/dbraw/zinc/04/01/36/415040136.db2.gz RVOALVGGSDUZRO-HIFRSBDPSA-N 2 2 297.443 0.990 20 0 CCADLP C[NH+]1CCN(C(=O)[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000043512453 175060683 /nfs/dbraw/zinc/06/06/83/175060683.db2.gz QTVRSYFADKPPMA-AWEZNQCLSA-N 2 2 259.353 0.647 20 0 CCADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000044531059 175195602 /nfs/dbraw/zinc/19/56/02/175195602.db2.gz YSERTTBPMOTYFQ-GFCCVEGCSA-N 2 2 296.415 0.816 20 0 CCADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000044531059 175195603 /nfs/dbraw/zinc/19/56/03/175195603.db2.gz YSERTTBPMOTYFQ-GFCCVEGCSA-N 2 2 296.415 0.816 20 0 CCADLP C[C@H]1C[N@H+](CCNc2cc[nH+]cc2C(N)=O)[C@@H](C)CO1 ZINC000664245192 415296444 /nfs/dbraw/zinc/29/64/44/415296444.db2.gz VCLKEXDAQUEHMQ-QWRGUYRKSA-N 2 2 278.356 0.124 20 0 CCADLP C[C@H]1C[N@@H+](CCNc2cc[nH+]cc2C(N)=O)[C@@H](C)CO1 ZINC000664245192 415296452 /nfs/dbraw/zinc/29/64/52/415296452.db2.gz VCLKEXDAQUEHMQ-QWRGUYRKSA-N 2 2 278.356 0.124 20 0 CCADLP C[C@@H]1C[N@H+](CCNc2cc[nH+]cc2C(N)=O)[C@H](C)CO1 ZINC000664245179 415298109 /nfs/dbraw/zinc/29/81/09/415298109.db2.gz VCLKEXDAQUEHMQ-GHMZBOCLSA-N 2 2 278.356 0.124 20 0 CCADLP C[C@@H]1C[N@@H+](CCNc2cc[nH+]cc2C(N)=O)[C@H](C)CO1 ZINC000664245179 415298114 /nfs/dbraw/zinc/29/81/14/415298114.db2.gz VCLKEXDAQUEHMQ-GHMZBOCLSA-N 2 2 278.356 0.124 20 0 CCADLP CCc1nc(N(CC[NH+](C)C)CC(=O)N(C)C)cc(C)[nH+]1 ZINC000664354608 415357091 /nfs/dbraw/zinc/35/70/91/415357091.db2.gz CRXSOJAAVVUXHL-UHFFFAOYSA-N 2 2 293.415 0.804 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000664898016 415487696 /nfs/dbraw/zinc/48/76/96/415487696.db2.gz WGIFWYIFXPETHK-QWHCGFSZSA-N 2 2 284.404 0.053 20 0 CCADLP COc1c(N)[nH+]cnc1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000664598415 415432330 /nfs/dbraw/zinc/43/23/30/415432330.db2.gz UDQRMBHZCSLAEF-NSHDSACASA-N 2 2 293.371 0.103 20 0 CCADLP COc1c(N)[nH+]cnc1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000664598415 415432335 /nfs/dbraw/zinc/43/23/35/415432335.db2.gz UDQRMBHZCSLAEF-NSHDSACASA-N 2 2 293.371 0.103 20 0 CCADLP COc1c(N)nc[nH+]c1N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000664598415 415432339 /nfs/dbraw/zinc/43/23/39/415432339.db2.gz UDQRMBHZCSLAEF-NSHDSACASA-N 2 2 293.371 0.103 20 0 CCADLP COc1c(N)nc[nH+]c1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000664598415 415432345 /nfs/dbraw/zinc/43/23/45/415432345.db2.gz UDQRMBHZCSLAEF-NSHDSACASA-N 2 2 293.371 0.103 20 0 CCADLP C[NH+](C)C1(C(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000665155671 415551770 /nfs/dbraw/zinc/55/17/70/415551770.db2.gz ROIKOLUNQWWGOZ-UHFFFAOYSA-N 2 2 274.368 0.824 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)CO1 ZINC000665212545 415563896 /nfs/dbraw/zinc/56/38/96/415563896.db2.gz AIGNVICKITUGMW-CHWSQXEVSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CO1 ZINC000665212545 415563904 /nfs/dbraw/zinc/56/39/04/415563904.db2.gz AIGNVICKITUGMW-CHWSQXEVSA-N 2 2 286.420 0.347 20 0 CCADLP C[NH+](C)C1(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000665338948 415611311 /nfs/dbraw/zinc/61/13/11/415611311.db2.gz SNMFLRLTCDEALB-UHFFFAOYSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)CC[N@@H+]1C ZINC000665291454 415588475 /nfs/dbraw/zinc/58/84/75/415588475.db2.gz BYAMQCQKWMOWAO-UWVGGRQHSA-N 3 2 265.361 0.213 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)CC[N@H+]1C ZINC000665291454 415588478 /nfs/dbraw/zinc/58/84/78/415588478.db2.gz BYAMQCQKWMOWAO-UWVGGRQHSA-N 3 2 265.361 0.213 20 0 CCADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H](C)S(C)(=O)=O ZINC000665299130 415591756 /nfs/dbraw/zinc/59/17/56/415591756.db2.gz HEQJJIVZMPKOTG-OBJOEFQTSA-N 2 2 284.425 0.968 20 0 CCADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000665296778 415592163 /nfs/dbraw/zinc/59/21/63/415592163.db2.gz XQHXDLNYBSXWHC-NXEZZACHSA-N 2 2 271.386 0.593 20 0 CCADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cccc(-n2cnnn2)c1 ZINC000665294259 415592571 /nfs/dbraw/zinc/59/25/71/415592571.db2.gz LGUONEYWDNEKIX-GHMZBOCLSA-N 2 2 260.345 0.921 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000071147520 176043551 /nfs/dbraw/zinc/04/35/51/176043551.db2.gz NJADPVUJOWYCPZ-SNVBAGLBSA-N 2 2 270.377 0.152 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000071147520 176043552 /nfs/dbraw/zinc/04/35/52/176043552.db2.gz NJADPVUJOWYCPZ-SNVBAGLBSA-N 2 2 270.377 0.152 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC2CCCC2)C1 ZINC000071147623 176043737 /nfs/dbraw/zinc/04/37/37/176043737.db2.gz RRSFKNMPQSTJJI-NWDGAFQWSA-N 2 2 253.390 0.975 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)C(=O)NC2CCCC2)C1 ZINC000071147623 176043739 /nfs/dbraw/zinc/04/37/39/176043739.db2.gz RRSFKNMPQSTJJI-NWDGAFQWSA-N 2 2 253.390 0.975 20 0 CCADLP C[N@@H+]1CC[C@@H]2CC[NH+](C[C@@H]3CNc4ccnn4C3)[C@@H]2C1 ZINC000684199763 545629693 /nfs/dbraw/zinc/62/96/93/545629693.db2.gz JMWMICDAORCMHQ-BFHYXJOUSA-N 2 2 275.400 0.951 20 0 CCADLP C[N@H+]1CC[C@@H]2CC[NH+](C[C@@H]3CNc4ccnn4C3)[C@@H]2C1 ZINC000684199763 545629695 /nfs/dbraw/zinc/62/96/95/545629695.db2.gz JMWMICDAORCMHQ-BFHYXJOUSA-N 2 2 275.400 0.951 20 0 CCADLP C[NH+]1CC[C@@H]2CC[N@H+](C[C@@H]3CNc4ccnn4C3)[C@@H]2C1 ZINC000684199763 545629697 /nfs/dbraw/zinc/62/96/97/545629697.db2.gz JMWMICDAORCMHQ-BFHYXJOUSA-N 2 2 275.400 0.951 20 0 CCADLP C[NH+]1CC[C@@H]2CC[N@@H+](C[C@@H]3CNc4ccnn4C3)[C@@H]2C1 ZINC000684199763 545629698 /nfs/dbraw/zinc/62/96/98/545629698.db2.gz JMWMICDAORCMHQ-BFHYXJOUSA-N 2 2 275.400 0.951 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+]C1(C(=O)N(C)C)CCCCC1 ZINC000575192909 335078409 /nfs/dbraw/zinc/07/84/09/335078409.db2.gz RDCBVBORDAHNNW-CYBMUJFWSA-N 2 2 285.432 0.680 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+]C1(C(=O)N(C)C)CCCCC1 ZINC000575192909 335078410 /nfs/dbraw/zinc/07/84/10/335078410.db2.gz RDCBVBORDAHNNW-CYBMUJFWSA-N 2 2 285.432 0.680 20 0 CCADLP Cc1nc(N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)nc(N)[nH+]1 ZINC000631232569 419481500 /nfs/dbraw/zinc/48/15/00/419481500.db2.gz GJOFFASYXMWTJJ-VIFPVBQESA-N 2 2 280.376 0.044 20 0 CCADLP Cc1nc(N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)nc(N)[nH+]1 ZINC000631232569 419481504 /nfs/dbraw/zinc/48/15/04/419481504.db2.gz GJOFFASYXMWTJJ-VIFPVBQESA-N 2 2 280.376 0.044 20 0 CCADLP C[N@H+](C[C@H](O)COCc1ccccc1)C[C@@H]1C[NH2+]CCO1 ZINC000126757434 544597573 /nfs/dbraw/zinc/59/75/73/544597573.db2.gz XSXCFWFCPCXPFA-HOTGVXAUSA-N 2 2 294.395 0.484 20 0 CCADLP C[N@@H+](C[C@H](O)COCc1ccccc1)C[C@@H]1C[NH2+]CCO1 ZINC000126757434 544597581 /nfs/dbraw/zinc/59/75/81/544597581.db2.gz XSXCFWFCPCXPFA-HOTGVXAUSA-N 2 2 294.395 0.484 20 0 CCADLP Cc1cccn2cc(CCNC(=O)[C@@H]3CSC[NH2+]3)[nH+]c12 ZINC000169039893 544733004 /nfs/dbraw/zinc/73/30/04/544733004.db2.gz KFHIJDAPTYBWNO-LBPRGKRZSA-N 2 2 290.392 0.964 20 0 CCADLP C[C@H](CCO)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175790078 544738238 /nfs/dbraw/zinc/73/82/38/544738238.db2.gz JUDLEPJRNPPUJA-GFCCVEGCSA-N 2 2 286.420 0.083 20 0 CCADLP Cc1nc(NC[C@@H](O)C[NH+]2CCCCC2)nc(N(C)C)[nH+]1 ZINC000488420469 420308237 /nfs/dbraw/zinc/30/82/37/420308237.db2.gz WFYOYLSFXZGBDH-GFCCVEGCSA-N 2 2 294.403 0.505 20 0 CCADLP Cc1nc(N(C)C)nc(NC[C@@H](O)C[NH+]2CCCCC2)[nH+]1 ZINC000488420469 420308244 /nfs/dbraw/zinc/30/82/44/420308244.db2.gz WFYOYLSFXZGBDH-GFCCVEGCSA-N 2 2 294.403 0.505 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000237083264 544890830 /nfs/dbraw/zinc/89/08/30/544890830.db2.gz ZCCVNHISTIQYLO-KGLIPLIRSA-N 3 2 282.432 0.256 20 0 CCADLP C[C@@H](NC(=O)CC1([NH3+])CCC1)[C@H](C)[NH+]1CCOCC1 ZINC000237518225 544895065 /nfs/dbraw/zinc/89/50/65/544895065.db2.gz QGDRCMBMJOXTGB-NEPJUHHUSA-N 2 2 269.389 0.483 20 0 CCADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[N@H+](C)CCN2C)C1 ZINC000250399874 544922833 /nfs/dbraw/zinc/92/28/33/544922833.db2.gz SCIFVDWSCVUVFL-HZSPNIEDSA-N 2 2 255.406 0.779 20 0 CCADLP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000250399874 544922836 /nfs/dbraw/zinc/92/28/36/544922836.db2.gz SCIFVDWSCVUVFL-HZSPNIEDSA-N 2 2 255.406 0.779 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCCO2)CC[C@H]1[NH3+] ZINC000251628531 544927426 /nfs/dbraw/zinc/92/74/26/544927426.db2.gz FIQJNWZCGXCHOZ-JHJVBQTASA-N 2 2 269.389 0.341 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCCO2)CC[C@H]1[NH3+] ZINC000251628531 544927429 /nfs/dbraw/zinc/92/74/29/544927429.db2.gz FIQJNWZCGXCHOZ-JHJVBQTASA-N 2 2 269.389 0.341 20 0 CCADLP CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2c[nH+]cn2C)C1 ZINC000290106428 544968551 /nfs/dbraw/zinc/96/85/51/544968551.db2.gz DHPQILXNTVCERU-LBPRGKRZSA-N 2 2 279.388 0.951 20 0 CCADLP CCC[N@H+]1CC[C@@H](CNC(=O)NCc2c[nH+]cn2C)C1 ZINC000290106428 544968558 /nfs/dbraw/zinc/96/85/58/544968558.db2.gz DHPQILXNTVCERU-LBPRGKRZSA-N 2 2 279.388 0.951 20 0 CCADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@H]1CCCC[NH2+]C1 ZINC000333738265 545042517 /nfs/dbraw/zinc/04/25/17/545042517.db2.gz XEEVFLDHZNIGGC-MELADBBJSA-N 2 2 296.415 0.291 20 0 CCADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@H]1CCCC[NH2+]C1 ZINC000333738265 545042518 /nfs/dbraw/zinc/04/25/18/545042518.db2.gz XEEVFLDHZNIGGC-MELADBBJSA-N 2 2 296.415 0.291 20 0 CCADLP CCc1cc(N2CC[N@@H+]3CCOC[C@H]3C2)nc(C)[nH+]1 ZINC000347883045 545063325 /nfs/dbraw/zinc/06/33/25/545063325.db2.gz QCOTYQXEVMRBDQ-CYBMUJFWSA-N 2 2 262.357 0.868 20 0 CCADLP CCc1cc(N2CC[N@H+]3CCOC[C@H]3C2)nc(C)[nH+]1 ZINC000347883045 545063327 /nfs/dbraw/zinc/06/33/27/545063327.db2.gz QCOTYQXEVMRBDQ-CYBMUJFWSA-N 2 2 262.357 0.868 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ncc[nH]1 ZINC000353504785 545071274 /nfs/dbraw/zinc/07/12/74/545071274.db2.gz SZRAHJUEOFIHKE-VXGBXAGGSA-N 2 2 251.378 0.696 20 0 CCADLP COC(=O)CC[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000521063368 260341744 /nfs/dbraw/zinc/34/17/44/260341744.db2.gz RXONPASJTOUJSJ-UHFFFAOYSA-N 2 2 258.362 0.374 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@@H](O)CC2(O)CCC2)C1 ZINC000528419731 269835558 /nfs/dbraw/zinc/83/55/58/269835558.db2.gz CCXAQJVSZICKGZ-OLZOCXBDSA-N 2 2 279.384 0.875 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@@H](O)CC2(O)CCC2)C1 ZINC000528419731 269835559 /nfs/dbraw/zinc/83/55/59/269835559.db2.gz CCXAQJVSZICKGZ-OLZOCXBDSA-N 2 2 279.384 0.875 20 0 CCADLP CCOC(=O)[C@](C)(O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347115541 265124467 /nfs/dbraw/zinc/12/44/67/265124467.db2.gz ALZPZYWFIXQGOC-UKRRQHHQSA-N 2 2 294.351 0.849 20 0 CCADLP CCOC(=O)[C@](C)(O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347115541 265124470 /nfs/dbraw/zinc/12/44/70/265124470.db2.gz ALZPZYWFIXQGOC-UKRRQHHQSA-N 2 2 294.351 0.849 20 0 CCADLP C[C@H]1CCN(c2[nH+]cnc3c2cnn3C)C[C@H]1C[NH3+] ZINC000253181245 274563858 /nfs/dbraw/zinc/56/38/58/274563858.db2.gz FDYLYOGXQREJPL-VHSXEESVSA-N 2 2 260.345 0.784 20 0 CCADLP CC(C)[C@H](O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365894659 276023464 /nfs/dbraw/zinc/02/34/64/276023464.db2.gz JWFWDBDRVBIITI-CABCVRRESA-N 2 2 297.443 0.630 20 0 CCADLP CC(C)[C@H](O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365894659 276023465 /nfs/dbraw/zinc/02/34/65/276023465.db2.gz JWFWDBDRVBIITI-CABCVRRESA-N 2 2 297.443 0.630 20 0 CCADLP CCN(C)c1ccc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cn1 ZINC000359720778 276078770 /nfs/dbraw/zinc/07/87/70/276078770.db2.gz MXWZBRUTMQDJLW-OAHLLOKOSA-N 2 2 291.443 0.873 20 0 CCADLP CCN(C)c1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cn1 ZINC000359720778 276078773 /nfs/dbraw/zinc/07/87/73/276078773.db2.gz MXWZBRUTMQDJLW-OAHLLOKOSA-N 2 2 291.443 0.873 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000173781556 276109465 /nfs/dbraw/zinc/10/94/65/276109465.db2.gz OCKAJMGLSVWGNV-GFCCVEGCSA-N 2 2 282.388 0.202 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000173781556 276109466 /nfs/dbraw/zinc/10/94/66/276109466.db2.gz OCKAJMGLSVWGNV-GFCCVEGCSA-N 2 2 282.388 0.202 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC000357575095 276191071 /nfs/dbraw/zinc/19/10/71/276191071.db2.gz WLTULCWTLXHPPA-RDBSUJKOSA-N 2 2 283.416 0.242 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC000357575095 276191072 /nfs/dbraw/zinc/19/10/72/276191072.db2.gz WLTULCWTLXHPPA-RDBSUJKOSA-N 2 2 283.416 0.242 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCCN2CC[NH+](C)CC2)C1 ZINC000347724002 276251377 /nfs/dbraw/zinc/25/13/77/276251377.db2.gz PNEJWPARQGVOGW-LSDHHAIUSA-N 3 2 268.449 0.554 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCCN2CC[NH+](C)CC2)C1 ZINC000347724002 276251379 /nfs/dbraw/zinc/25/13/79/276251379.db2.gz PNEJWPARQGVOGW-LSDHHAIUSA-N 3 2 268.449 0.554 20 0 CCADLP C[N@H+]([C@@H]1CCN(C(C)(C)C)C1=O)C1CC[NH+](CCO)CC1 ZINC000425397558 277001576 /nfs/dbraw/zinc/00/15/76/277001576.db2.gz SCBJNUACFHNLBW-CQSZACIVSA-N 2 2 297.443 0.774 20 0 CCADLP C[N@@H+]([C@@H]1CCN(C(C)(C)C)C1=O)C1CC[NH+](CCO)CC1 ZINC000425397558 277001578 /nfs/dbraw/zinc/00/15/78/277001578.db2.gz SCBJNUACFHNLBW-CQSZACIVSA-N 2 2 297.443 0.774 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccccn3)C2)CC1 ZINC000369272120 277028086 /nfs/dbraw/zinc/02/80/86/277028086.db2.gz AAIADCMWNUASDM-CYBMUJFWSA-N 2 2 288.395 0.980 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccccn3)C2)CC1 ZINC000369272120 277028087 /nfs/dbraw/zinc/02/80/87/277028087.db2.gz AAIADCMWNUASDM-CYBMUJFWSA-N 2 2 288.395 0.980 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)CC1 ZINC000374631230 277090778 /nfs/dbraw/zinc/09/07/78/277090778.db2.gz MVUHQCKASATMNV-HUUCEWRRSA-N 2 2 281.400 0.308 20 0 CCADLP C[N@@H+]1CCN(C(=O)Nc2ccc3c(n2)CCC3)[C@@H](C[NH3+])C1 ZINC000515374623 277093138 /nfs/dbraw/zinc/09/31/38/277093138.db2.gz SEMOCEVLWKDUIR-LBPRGKRZSA-N 2 2 289.383 0.677 20 0 CCADLP C[N@H+]1CCN(C(=O)Nc2ccc3c(n2)CCC3)[C@@H](C[NH3+])C1 ZINC000515374623 277093139 /nfs/dbraw/zinc/09/31/39/277093139.db2.gz SEMOCEVLWKDUIR-LBPRGKRZSA-N 2 2 289.383 0.677 20 0 CCADLP CC(=O)[C@@](C)(O)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000450644987 277097879 /nfs/dbraw/zinc/09/78/79/277097879.db2.gz ODHFPFYTIBGLRX-ZDUSSCGKSA-N 2 2 254.374 0.887 20 0 CCADLP CC(=O)[C@@](C)(O)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000450644987 277097880 /nfs/dbraw/zinc/09/78/80/277097880.db2.gz ODHFPFYTIBGLRX-ZDUSSCGKSA-N 2 2 254.374 0.887 20 0 CCADLP CN1CC[C@@H]([NH+]2CCC3(CCC[N@@H+]3C)CC2)C1=O ZINC000335366017 277135453 /nfs/dbraw/zinc/13/54/53/277135453.db2.gz FNYQZGZGBBCNHZ-GFCCVEGCSA-N 2 2 251.374 0.777 20 0 CCADLP CN1CC[C@@H]([NH+]2CCC3(CCC[N@H+]3C)CC2)C1=O ZINC000335366017 277135454 /nfs/dbraw/zinc/13/54/54/277135454.db2.gz FNYQZGZGBBCNHZ-GFCCVEGCSA-N 2 2 251.374 0.777 20 0 CCADLP C[N@@H+]1CC[C@H]2OCCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC000329156486 277179640 /nfs/dbraw/zinc/17/96/40/277179640.db2.gz BYJBNYPIUPMGCG-CHWSQXEVSA-N 2 2 278.356 0.274 20 0 CCADLP C[N@H+]1CC[C@H]2OCCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC000329156486 277179641 /nfs/dbraw/zinc/17/96/41/277179641.db2.gz BYJBNYPIUPMGCG-CHWSQXEVSA-N 2 2 278.356 0.274 20 0 CCADLP C[N@@H+]1CC[C@H]2OCCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC000329156486 277179642 /nfs/dbraw/zinc/17/96/42/277179642.db2.gz BYJBNYPIUPMGCG-CHWSQXEVSA-N 2 2 278.356 0.274 20 0 CCADLP C[N@H+]1CC[C@H]2OCCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC000329156486 277179644 /nfs/dbraw/zinc/17/96/44/277179644.db2.gz BYJBNYPIUPMGCG-CHWSQXEVSA-N 2 2 278.356 0.274 20 0 CCADLP COCC[N@@H+]1CC[C@H]([NH2+]CCC2(O)CCOCC2)C1 ZINC000353040728 277227023 /nfs/dbraw/zinc/22/70/23/277227023.db2.gz VZWOCNWSWDNYMX-ZDUSSCGKSA-N 2 2 272.389 0.228 20 0 CCADLP COCC[N@H+]1CC[C@H]([NH2+]CCC2(O)CCOCC2)C1 ZINC000353040728 277227025 /nfs/dbraw/zinc/22/70/25/277227025.db2.gz VZWOCNWSWDNYMX-ZDUSSCGKSA-N 2 2 272.389 0.228 20 0 CCADLP COC[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364232390 277244929 /nfs/dbraw/zinc/24/49/29/277244929.db2.gz ZGADOSFNMKWWEU-OLZOCXBDSA-N 2 2 298.431 0.489 20 0 CCADLP COC[C@@H](C)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364232390 277244930 /nfs/dbraw/zinc/24/49/30/277244930.db2.gz ZGADOSFNMKWWEU-OLZOCXBDSA-N 2 2 298.431 0.489 20 0 CCADLP CO[C@@](C)([C@@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000411943368 277698992 /nfs/dbraw/zinc/69/89/92/277698992.db2.gz IZYVCHPKQFKGMK-DOMZBBRYSA-N 2 2 283.416 0.554 20 0 CCADLP C1CC1[C@@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1C[NH2+]CCO1 ZINC000423539871 277757644 /nfs/dbraw/zinc/75/76/44/277757644.db2.gz CDEGIHXDFOBUHC-CQJMVSDSSA-N 3 2 279.428 0.731 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NCC(F)(F)F ZINC000131608783 278010826 /nfs/dbraw/zinc/01/08/26/278010826.db2.gz YXDJOKAIKCJKMW-HTQZYQBOSA-N 2 2 253.268 0.334 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NCC(F)(F)F ZINC000131608783 278010828 /nfs/dbraw/zinc/01/08/28/278010828.db2.gz YXDJOKAIKCJKMW-HTQZYQBOSA-N 2 2 253.268 0.334 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCCNS(C)(=O)=O)C[N@@H+]1C1CC1 ZINC000121256641 278025472 /nfs/dbraw/zinc/02/54/72/278025472.db2.gz XUGUGBIYNMCIBV-MNOVXSKESA-N 2 2 275.418 0.141 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCCNS(C)(=O)=O)C[N@H+]1C1CC1 ZINC000121256641 278025473 /nfs/dbraw/zinc/02/54/73/278025473.db2.gz XUGUGBIYNMCIBV-MNOVXSKESA-N 2 2 275.418 0.141 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)CN1CCOCC1 ZINC000252966922 278218567 /nfs/dbraw/zinc/21/85/67/278218567.db2.gz TWVJPKKEVDXHGD-MCIONIFRSA-N 2 2 271.405 0.064 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)NCCNc1cccc[nH+]1 ZINC000287170401 278238092 /nfs/dbraw/zinc/23/80/92/278238092.db2.gz OYWFANXTAQYKJJ-NSHDSACASA-N 2 2 265.361 0.743 20 0 CCADLP C[C@@H](C[NH3+])CNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000417017825 278244544 /nfs/dbraw/zinc/24/45/44/278244544.db2.gz PJVNQAWTHNUOLJ-JTQLQIEISA-N 2 2 265.361 0.542 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)[C@H]1CCCOC1 ZINC000356900219 278262611 /nfs/dbraw/zinc/26/26/11/278262611.db2.gz OQHLYJCVDYIOKW-MELADBBJSA-N 2 2 255.406 0.637 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)[C@H]1CCCOC1 ZINC000356900219 278262614 /nfs/dbraw/zinc/26/26/14/278262614.db2.gz OQHLYJCVDYIOKW-MELADBBJSA-N 2 2 255.406 0.637 20 0 CCADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)C(=O)Nc1nccs1 ZINC000342114220 278340587 /nfs/dbraw/zinc/34/05/87/278340587.db2.gz BWGAGPYRBHKQAW-MRVPVSSYSA-N 2 2 254.359 0.941 20 0 CCADLP C[C@@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)[C@H]1CCC[NH2+]1 ZINC000423024630 278355395 /nfs/dbraw/zinc/35/53/95/278355395.db2.gz JTDGYPKKKPNUBV-KWCYVHTRSA-N 2 2 253.390 0.580 20 0 CCADLP C[C@H]1CC[N@H+](C)CCN1c1ncnc2c1C[NH+](C)CC2 ZINC000354080474 278366536 /nfs/dbraw/zinc/36/65/36/278366536.db2.gz VBKCUXPBUFFDLM-LBPRGKRZSA-N 2 2 275.400 0.995 20 0 CCADLP C[C@H]1CC[N@@H+](C)CCN1c1ncnc2c1C[NH+](C)CC2 ZINC000354080474 278366537 /nfs/dbraw/zinc/36/65/37/278366537.db2.gz VBKCUXPBUFFDLM-LBPRGKRZSA-N 2 2 275.400 0.995 20 0 CCADLP C[C@H]1CC[NH+](C)CCN1c1ncnc2c1C[N@H+](C)CC2 ZINC000354080474 278366538 /nfs/dbraw/zinc/36/65/38/278366538.db2.gz VBKCUXPBUFFDLM-LBPRGKRZSA-N 2 2 275.400 0.995 20 0 CCADLP C[C@H]1CC[NH+](C)CCN1c1ncnc2c1C[N@@H+](C)CC2 ZINC000354080474 278366539 /nfs/dbraw/zinc/36/65/39/278366539.db2.gz VBKCUXPBUFFDLM-LBPRGKRZSA-N 2 2 275.400 0.995 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2[nH+]ccn2C)C[C@@H]1C ZINC000271741734 278398041 /nfs/dbraw/zinc/39/80/41/278398041.db2.gz WGGCYYBKMRHOOM-NWDGAFQWSA-N 2 2 295.387 0.017 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2[nH+]ccn2C)C[C@@H]1C ZINC000271741734 278398042 /nfs/dbraw/zinc/39/80/42/278398042.db2.gz WGGCYYBKMRHOOM-NWDGAFQWSA-N 2 2 295.387 0.017 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151289612 288076398 /nfs/dbraw/zinc/07/63/98/288076398.db2.gz QMKYKFJVIYRMFF-ILXRZTDVSA-N 3 2 269.433 0.763 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151289612 288076400 /nfs/dbraw/zinc/07/64/00/288076400.db2.gz QMKYKFJVIYRMFF-ILXRZTDVSA-N 3 2 269.433 0.763 20 0 CCADLP CCC[NH2+]CC[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000423314501 278841353 /nfs/dbraw/zinc/84/13/53/278841353.db2.gz VWLRQHZEJBEJCC-VXGBXAGGSA-N 2 2 262.419 0.931 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413962204 288086154 /nfs/dbraw/zinc/08/61/54/288086154.db2.gz UWAFBBRVPKOPCW-OLZOCXBDSA-N 2 2 283.416 0.411 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413962204 288086155 /nfs/dbraw/zinc/08/61/55/288086155.db2.gz UWAFBBRVPKOPCW-OLZOCXBDSA-N 2 2 283.416 0.411 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423404627 288097988 /nfs/dbraw/zinc/09/79/88/288097988.db2.gz ZXWGGRWXWAYMSX-IJLUTSLNSA-N 3 2 294.365 0.362 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423404627 288097991 /nfs/dbraw/zinc/09/79/91/288097991.db2.gz ZXWGGRWXWAYMSX-IJLUTSLNSA-N 3 2 294.365 0.362 20 0 CCADLP CCN(C)CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000262001681 279033438 /nfs/dbraw/zinc/03/34/38/279033438.db2.gz URDMIRMOKVDVGM-MGPQQGTHSA-N 2 2 255.406 0.685 20 0 CCADLP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)C1 ZINC000437192736 279168044 /nfs/dbraw/zinc/16/80/44/279168044.db2.gz FHFHFSDFPONMCW-GJZGRUSLSA-N 2 2 296.459 0.565 20 0 CCADLP CC[N@H+](CCNC(=O)[C@@H]1COCC[NH+]1CC)C1CC1 ZINC000371334355 279203892 /nfs/dbraw/zinc/20/38/92/279203892.db2.gz FGIBDSSWVBZCNL-ZDUSSCGKSA-N 2 2 269.389 0.308 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@@H]1COCC[NH+]1CC)C1CC1 ZINC000371334355 279203893 /nfs/dbraw/zinc/20/38/93/279203893.db2.gz FGIBDSSWVBZCNL-ZDUSSCGKSA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH+](CCNC(=O)[C@@H]1COCC[N@@H+]1CC)C1CC1 ZINC000371334355 279203894 /nfs/dbraw/zinc/20/38/94/279203894.db2.gz FGIBDSSWVBZCNL-ZDUSSCGKSA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH+](CCNC(=O)[C@@H]1COCC[N@H+]1CC)C1CC1 ZINC000371334355 279203896 /nfs/dbraw/zinc/20/38/96/279203896.db2.gz FGIBDSSWVBZCNL-ZDUSSCGKSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420351779 279226834 /nfs/dbraw/zinc/22/68/34/279226834.db2.gz KXAXNJOTNMWBLB-MFKMUULPSA-N 2 2 299.802 0.596 20 0 CCADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420351779 279226835 /nfs/dbraw/zinc/22/68/35/279226835.db2.gz KXAXNJOTNMWBLB-MFKMUULPSA-N 2 2 299.802 0.596 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccn(C)n3)C2)CC1 ZINC000361907212 279372462 /nfs/dbraw/zinc/37/24/62/279372462.db2.gz KNLQJDXGELNWEE-HNNXBMFYSA-N 2 2 277.416 0.632 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccn(C)n3)C2)CC1 ZINC000361907212 279372463 /nfs/dbraw/zinc/37/24/63/279372463.db2.gz KNLQJDXGELNWEE-HNNXBMFYSA-N 2 2 277.416 0.632 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCn2c[nH+]cc2C1 ZINC000335368236 279401527 /nfs/dbraw/zinc/40/15/27/279401527.db2.gz UGUCHWLSJZTOAU-UWVGGRQHSA-N 2 2 251.334 0.534 20 0 CCADLP CC(C)NS(=O)(=O)CC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422946903 279610534 /nfs/dbraw/zinc/61/05/34/279610534.db2.gz PRQIEVONHBEZRS-NWDGAFQWSA-N 2 2 277.434 0.434 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[C@@H]([NH+]3CCCC3)C2)CCO1 ZINC000248988626 288173172 /nfs/dbraw/zinc/17/31/72/288173172.db2.gz FLLAAEBHUCTXRA-HUUCEWRRSA-N 2 2 267.417 0.877 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[C@@H]([NH+]3CCCC3)C2)CCO1 ZINC000248988626 288173175 /nfs/dbraw/zinc/17/31/75/288173175.db2.gz FLLAAEBHUCTXRA-HUUCEWRRSA-N 2 2 267.417 0.877 20 0 CCADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000334686793 280076892 /nfs/dbraw/zinc/07/68/92/280076892.db2.gz KPSPATQHWDFOLR-NEPJUHHUSA-N 2 2 287.354 0.974 20 0 CCADLP CC(C)[C@H](C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)[C@H](C)[NH3+] ZINC000423427626 280166517 /nfs/dbraw/zinc/16/65/17/280166517.db2.gz JFWXCKKVQUXVEB-AJNGGQMLSA-N 2 2 297.443 0.785 20 0 CCADLP C[C@@H]1C[N@@H+]([C@H]2CCCN(c3cnn(C)c3)C2=O)CC[C@H]1[NH3+] ZINC000430956469 288252910 /nfs/dbraw/zinc/25/29/10/288252910.db2.gz OTPGMFLZDFWWKE-BNOWGMLFSA-N 2 2 291.399 0.585 20 0 CCADLP C[C@@H]1C[N@H+]([C@H]2CCCN(c3cnn(C)c3)C2=O)CC[C@H]1[NH3+] ZINC000430956469 288252913 /nfs/dbraw/zinc/25/29/13/288252913.db2.gz OTPGMFLZDFWWKE-BNOWGMLFSA-N 2 2 291.399 0.585 20 0 CCADLP CC[C@]1(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)CCC[NH2+]1 ZINC000134617554 281300888 /nfs/dbraw/zinc/30/08/88/281300888.db2.gz KIOOLGQDKNPDCI-IIAWOOMASA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CC[NH+](C)CC[C@@H]1C ZINC000355400800 288347134 /nfs/dbraw/zinc/34/71/34/288347134.db2.gz VMEGWMCZVTVBCF-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CC[NH+](C)CC[C@@H]1C ZINC000355400800 288347135 /nfs/dbraw/zinc/34/71/35/288347135.db2.gz VMEGWMCZVTVBCF-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000355400800 288347136 /nfs/dbraw/zinc/34/71/36/288347136.db2.gz VMEGWMCZVTVBCF-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000355400800 288347137 /nfs/dbraw/zinc/34/71/37/288347137.db2.gz VMEGWMCZVTVBCF-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP C[NH+](C)CCC[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000094635043 289117779 /nfs/dbraw/zinc/11/77/79/289117779.db2.gz VAYUREIKHKCDLG-NWDGAFQWSA-N 2 2 262.419 0.884 20 0 CCADLP C[C@@](O)(C[NH2+]C[C@H]1CCCC[N@@H+]1CCO)C(F)(F)F ZINC000514673446 289122914 /nfs/dbraw/zinc/12/29/14/289122914.db2.gz LALYAAJKRXCQOH-GHMZBOCLSA-N 2 2 284.322 0.736 20 0 CCADLP C[C@@](O)(C[NH2+]C[C@H]1CCCC[N@H+]1CCO)C(F)(F)F ZINC000514673446 289122919 /nfs/dbraw/zinc/12/29/19/289122919.db2.gz LALYAAJKRXCQOH-GHMZBOCLSA-N 2 2 284.322 0.736 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000247535797 289243783 /nfs/dbraw/zinc/24/37/83/289243783.db2.gz ORLGVJARCAEJDC-OLZOCXBDSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000422974176 289727199 /nfs/dbraw/zinc/72/71/99/289727199.db2.gz DILYHZPYDHUKFZ-RDBSUJKOSA-N 3 2 257.422 0.809 20 0 CCADLP Cc1cc[nH+]c(N(C)C[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000268283597 292765795 /nfs/dbraw/zinc/76/57/95/292765795.db2.gz BUAYDMUVJOJLPO-CYBMUJFWSA-N 2 2 265.357 0.519 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000336842410 290036265 /nfs/dbraw/zinc/03/62/65/290036265.db2.gz UTKXUFLZECSKMK-IJLUTSLNSA-N 2 2 295.349 0.932 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000336842410 290036268 /nfs/dbraw/zinc/03/62/68/290036268.db2.gz UTKXUFLZECSKMK-IJLUTSLNSA-N 2 2 295.349 0.932 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(OCCO)CC1 ZINC000389165123 545086867 /nfs/dbraw/zinc/08/68/67/545086867.db2.gz ZIFRNYQQEFSSIW-CYBMUJFWSA-N 2 2 274.405 0.161 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(OCCO)CC1 ZINC000389165123 545086868 /nfs/dbraw/zinc/08/68/68/545086868.db2.gz ZIFRNYQQEFSSIW-CYBMUJFWSA-N 2 2 274.405 0.161 20 0 CCADLP C[C@H](C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)[NH+]1CCOCC1 ZINC000424246374 298006388 /nfs/dbraw/zinc/00/63/88/298006388.db2.gz VPKXJDGBTTXJLL-UONOGXRCSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H](C(=O)NCC1CCCCC1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420350235 298150698 /nfs/dbraw/zinc/15/06/98/298150698.db2.gz GCNKGQPJNSBTQR-YPMHNXCESA-N 2 2 271.405 0.323 20 0 CCADLP C[C@H](C(=O)NCC1CCCCC1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420350235 298150699 /nfs/dbraw/zinc/15/06/99/298150699.db2.gz GCNKGQPJNSBTQR-YPMHNXCESA-N 2 2 271.405 0.323 20 0 CCADLP Cn1ccnc1[C@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)CCN1C ZINC000262033445 303007744 /nfs/dbraw/zinc/00/77/44/303007744.db2.gz XKXMWTKJGLQIPH-ZIAGYGMSSA-N 2 2 277.416 0.708 20 0 CCADLP Cn1ccnc1[C@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)CCN1C ZINC000262033445 303007745 /nfs/dbraw/zinc/00/77/45/303007745.db2.gz XKXMWTKJGLQIPH-ZIAGYGMSSA-N 2 2 277.416 0.708 20 0 CCADLP c1cncc(CC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422823038 304860537 /nfs/dbraw/zinc/86/05/37/304860537.db2.gz CKISCMZAMXEUDI-CABCVRRESA-N 2 2 261.369 0.981 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)C[NH+]1CC(C)(C)C1 ZINC000570825206 327623070 /nfs/dbraw/zinc/62/30/70/327623070.db2.gz SJINHAFYDPWPGJ-UHFFFAOYSA-N 2 2 250.346 0.720 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC(C)=C[C@@H](C)C1 ZINC000582912700 329287405 /nfs/dbraw/zinc/28/74/05/329287405.db2.gz CDKFFTCOFSHBMQ-OCCSQVGLSA-N 2 2 256.390 0.824 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC(C)=C[C@@H](C)C1 ZINC000582912700 329287406 /nfs/dbraw/zinc/28/74/06/329287406.db2.gz CDKFFTCOFSHBMQ-OCCSQVGLSA-N 2 2 256.390 0.824 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC(C)=C[C@@H](C)C1 ZINC000582912700 329287408 /nfs/dbraw/zinc/28/74/08/329287408.db2.gz CDKFFTCOFSHBMQ-OCCSQVGLSA-N 2 2 256.390 0.824 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC(C)=C[C@@H](C)C1 ZINC000582912700 329287410 /nfs/dbraw/zinc/28/74/10/329287410.db2.gz CDKFFTCOFSHBMQ-OCCSQVGLSA-N 2 2 256.390 0.824 20 0 CCADLP C[C@@H]1CCC[C@@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000576253809 327026308 /nfs/dbraw/zinc/02/63/08/327026308.db2.gz BQONTEZKEQEMMF-UPJWGTAASA-N 2 2 268.405 0.849 20 0 CCADLP C[C@@H]1CCC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000576253809 327026309 /nfs/dbraw/zinc/02/63/09/327026309.db2.gz BQONTEZKEQEMMF-UPJWGTAASA-N 2 2 268.405 0.849 20 0 CCADLP C[N@H+](CCNC[C@@H](O)CN1CC[NH+](C)CC1)C1CCCC1 ZINC000566108262 327137373 /nfs/dbraw/zinc/13/73/73/327137373.db2.gz XIPXUYFJFRZNIZ-MRXNPFEDSA-N 2 2 298.475 0.059 20 0 CCADLP C[N@@H+](CCNC[C@@H](O)CN1CC[NH+](C)CC1)C1CCCC1 ZINC000566108262 327137375 /nfs/dbraw/zinc/13/73/75/327137375.db2.gz XIPXUYFJFRZNIZ-MRXNPFEDSA-N 2 2 298.475 0.059 20 0 CCADLP CC(C)OC[C@@H](O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000566117573 327140371 /nfs/dbraw/zinc/14/03/71/327140371.db2.gz OOSXSTPXSQFFCM-LBPRGKRZSA-N 2 2 270.377 0.362 20 0 CCADLP CN(C)C(=O)CCC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000584299691 327229827 /nfs/dbraw/zinc/22/98/27/327229827.db2.gz RYEKHZMLVWLQDI-HNNXBMFYSA-N 2 2 297.443 0.899 20 0 CCADLP CN(C)C(=O)CCC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000584299691 327229828 /nfs/dbraw/zinc/22/98/28/327229828.db2.gz RYEKHZMLVWLQDI-HNNXBMFYSA-N 2 2 297.443 0.899 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC000574032404 327282577 /nfs/dbraw/zinc/28/25/77/327282577.db2.gz ADNZTKAGFVHNCO-XBFCOCLRSA-N 2 2 264.373 0.316 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC000574032404 327282578 /nfs/dbraw/zinc/28/25/78/327282578.db2.gz ADNZTKAGFVHNCO-XBFCOCLRSA-N 2 2 264.373 0.316 20 0 CCADLP Cc1[nH]c(C(=O)N[C@H](CC[NH3+])C(F)(F)F)c[nH+]1 ZINC000579110141 327356475 /nfs/dbraw/zinc/35/64/75/327356475.db2.gz UDDYVUVNTMBAJN-SSDOTTSWSA-N 2 2 250.224 0.728 20 0 CCADLP CN(C(=O)c1ccc(-n2cc[nH+]c2)nn1)C1(C[NH3+])CCC1 ZINC000582608757 329115939 /nfs/dbraw/zinc/11/59/39/329115939.db2.gz BYWRTQZXGDUHTH-UHFFFAOYSA-N 2 2 286.339 0.616 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@@H](C)[C@@H](C)N2CCOCC2)n1C ZINC000582615981 329118144 /nfs/dbraw/zinc/11/81/44/329118144.db2.gz CDWGSPZCONITHF-NWDGAFQWSA-N 2 2 266.389 0.927 20 0 CCADLP CCC(C)(C)NC(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000583091420 329314463 /nfs/dbraw/zinc/31/44/63/329314463.db2.gz KGEMOADOCVNGRK-UHFFFAOYSA-N 2 2 279.388 0.837 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000583211723 329368360 /nfs/dbraw/zinc/36/83/60/329368360.db2.gz DYMCOVUPIJDDAN-STQMWFEESA-N 3 2 282.432 0.399 20 0 CCADLP C[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)CC[S@@]1=O ZINC000575878345 335127546 /nfs/dbraw/zinc/12/75/46/335127546.db2.gz HQUWZRKSSHSWGJ-DIFFPNOSSA-N 2 2 255.387 0.806 20 0 CCADLP C[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)CC[S@@]1=O ZINC000575878345 335127547 /nfs/dbraw/zinc/12/75/47/335127547.db2.gz HQUWZRKSSHSWGJ-DIFFPNOSSA-N 2 2 255.387 0.806 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1C[C@@H](OC)C1 ZINC000576050275 335146154 /nfs/dbraw/zinc/14/61/54/335146154.db2.gz CCRARNNZQSIBAN-RWMBFGLXSA-N 2 2 260.378 0.035 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1C[C@@H](OC)C1 ZINC000576050275 335146155 /nfs/dbraw/zinc/14/61/55/335146155.db2.gz CCRARNNZQSIBAN-RWMBFGLXSA-N 2 2 260.378 0.035 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1C[C@@H](OC)C1 ZINC000576050275 335146156 /nfs/dbraw/zinc/14/61/56/335146156.db2.gz CCRARNNZQSIBAN-RWMBFGLXSA-N 2 2 260.378 0.035 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1C[C@@H](OC)C1 ZINC000576050275 335146157 /nfs/dbraw/zinc/14/61/57/335146157.db2.gz CCRARNNZQSIBAN-RWMBFGLXSA-N 2 2 260.378 0.035 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccsc1 ZINC000576225529 335173574 /nfs/dbraw/zinc/17/35/74/335173574.db2.gz RJHGLNTZBQUTAJ-ZYHUDNBSSA-N 2 2 267.398 0.953 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccsc1 ZINC000576225529 335173576 /nfs/dbraw/zinc/17/35/76/335173576.db2.gz RJHGLNTZBQUTAJ-ZYHUDNBSSA-N 2 2 267.398 0.953 20 0 CCADLP [NH3+][C@H](C(=O)N1CC[NH+](C2CCC2)CC1)c1cscn1 ZINC000565595268 334577277 /nfs/dbraw/zinc/57/72/77/334577277.db2.gz BCFABSRDOYHXOX-LBPRGKRZSA-N 2 2 280.397 0.840 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCS[C@H](C(C)C)C1 ZINC000576422232 335201952 /nfs/dbraw/zinc/20/19/52/335201952.db2.gz OBGFFCPIUTTWOO-KBPBESRZSA-N 2 2 290.473 0.999 20 0 CCADLP C[C@H]1CN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC[C@@H]1[NH3+] ZINC000576465603 335207592 /nfs/dbraw/zinc/20/75/92/335207592.db2.gz HVWUQSHPOQXZGO-FQUUOJAGSA-N 2 2 253.390 0.519 20 0 CCADLP C[C@H]1CN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC[C@@H]1[NH3+] ZINC000576465603 335207593 /nfs/dbraw/zinc/20/75/93/335207593.db2.gz HVWUQSHPOQXZGO-FQUUOJAGSA-N 2 2 253.390 0.519 20 0 CCADLP COc1ccncc1C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000576861461 335256828 /nfs/dbraw/zinc/25/68/28/335256828.db2.gz RPAPTQTVDSXKOM-WCQYABFASA-N 2 2 265.357 0.947 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000576926844 335264635 /nfs/dbraw/zinc/26/46/35/335264635.db2.gz CPDFQWOOCOBHNI-HZSPNIEDSA-N 2 2 296.415 0.004 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000576926844 335264636 /nfs/dbraw/zinc/26/46/36/335264636.db2.gz CPDFQWOOCOBHNI-HZSPNIEDSA-N 2 2 296.415 0.004 20 0 CCADLP CC(C)(CC[NH3+])NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000577223613 335325856 /nfs/dbraw/zinc/32/58/56/335325856.db2.gz FAKHRYVGACMZJL-UHFFFAOYSA-N 2 2 274.328 0.520 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000577230479 335327180 /nfs/dbraw/zinc/32/71/80/335327180.db2.gz ONOMXZBSQTUMOS-MNOVXSKESA-N 2 2 262.357 0.941 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000577230479 335327181 /nfs/dbraw/zinc/32/71/81/335327181.db2.gz ONOMXZBSQTUMOS-MNOVXSKESA-N 2 2 262.357 0.941 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000577230479 335327182 /nfs/dbraw/zinc/32/71/82/335327182.db2.gz ONOMXZBSQTUMOS-MNOVXSKESA-N 2 2 262.357 0.941 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000577230479 335327183 /nfs/dbraw/zinc/32/71/83/335327183.db2.gz ONOMXZBSQTUMOS-MNOVXSKESA-N 2 2 262.357 0.941 20 0 CCADLP CCOC(=O)COCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000577506136 335361479 /nfs/dbraw/zinc/36/14/79/335361479.db2.gz UMVBRYHWBHQXSI-UHFFFAOYSA-N 2 2 282.344 0.111 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](CCn2cccn2)CC1 ZINC000578080220 335483018 /nfs/dbraw/zinc/48/30/18/335483018.db2.gz PWYOKRSHPBOAQO-UHFFFAOYSA-N 2 2 266.389 0.708 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000578248699 335592712 /nfs/dbraw/zinc/59/27/12/335592712.db2.gz PMYXJONIBJHFHG-MNOVXSKESA-N 2 2 263.345 0.281 20 0 CCADLP CC(C)OCC[C@H](O)C[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000578882289 335684969 /nfs/dbraw/zinc/68/49/69/335684969.db2.gz ZNJFLTUFQCFSKE-CABCVRRESA-N 2 2 288.432 0.720 20 0 CCADLP COC(=O)C[C@H]([NH3+])C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000579003453 335699192 /nfs/dbraw/zinc/69/91/92/335699192.db2.gz HMQZHOQMUPAJPI-JTQLQIEISA-N 2 2 290.323 0.711 20 0 CCADLP NC(=O)C[C@@H]([NH2+]CC[NH+]1CCCCC1)C1CCOCC1 ZINC000181929140 335791107 /nfs/dbraw/zinc/79/11/07/335791107.db2.gz KYBXDJDGDMWCDT-CQSZACIVSA-N 2 2 283.416 0.733 20 0 CCADLP CC[C@H](CCO)C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581131180 336012775 /nfs/dbraw/zinc/01/27/75/336012775.db2.gz AZVVMTGRVYSLHO-BARDWOONSA-N 2 2 288.432 0.455 20 0 CCADLP CC[C@H](CCO)C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581131180 336012777 /nfs/dbraw/zinc/01/27/77/336012777.db2.gz AZVVMTGRVYSLHO-BARDWOONSA-N 2 2 288.432 0.455 20 0 CCADLP C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000381214438 336055242 /nfs/dbraw/zinc/05/52/42/336055242.db2.gz WDGBZFRIYFGRLI-SCZZXKLOSA-N 2 2 267.295 0.724 20 0 CCADLP C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000381214438 336055243 /nfs/dbraw/zinc/05/52/43/336055243.db2.gz WDGBZFRIYFGRLI-SCZZXKLOSA-N 2 2 267.295 0.724 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)n1C ZINC000581380881 336065755 /nfs/dbraw/zinc/06/57/55/336065755.db2.gz HXYBMXBVKNTRSM-DGCLKSJQSA-N 2 2 253.346 0.606 20 0 CCADLP CC[NH2+]CC1CCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000581549092 336100790 /nfs/dbraw/zinc/10/07/90/336100790.db2.gz SRNWUBIWFIFQCW-AWEZNQCLSA-N 2 2 296.459 0.470 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)NCC[C@@H]2CC[NH2+]C2)CCO1 ZINC000581597107 336109178 /nfs/dbraw/zinc/10/91/78/336109178.db2.gz GQJXKPYAELYELH-ZDUSSCGKSA-N 2 2 298.431 0.396 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)NCC[C@@H]2CC[NH2+]C2)CCO1 ZINC000581597107 336109179 /nfs/dbraw/zinc/10/91/79/336109179.db2.gz GQJXKPYAELYELH-ZDUSSCGKSA-N 2 2 298.431 0.396 20 0 CCADLP Cc1nn(C)c(C)c1NC(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000384901681 336133952 /nfs/dbraw/zinc/13/39/52/336133952.db2.gz WUBVYBJLWOQSJC-UHFFFAOYSA-N 2 2 265.361 0.397 20 0 CCADLP Cc1nn(C)c(C)c1NC(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000384901681 336133953 /nfs/dbraw/zinc/13/39/53/336133953.db2.gz WUBVYBJLWOQSJC-UHFFFAOYSA-N 2 2 265.361 0.397 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000581829352 336148943 /nfs/dbraw/zinc/14/89/43/336148943.db2.gz OQEWFWSYSXXDQY-UONOGXRCSA-N 3 2 257.422 0.621 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000581829352 336148944 /nfs/dbraw/zinc/14/89/44/336148944.db2.gz OQEWFWSYSXXDQY-UONOGXRCSA-N 3 2 257.422 0.621 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C2CC2)CC[N@@H+]1C ZINC000386183977 336167703 /nfs/dbraw/zinc/16/77/03/336167703.db2.gz UNBTYUOTNZDZQI-YRGRVCCFSA-N 3 2 255.406 0.514 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C2CC2)CC[N@H+]1C ZINC000386183977 336167704 /nfs/dbraw/zinc/16/77/04/336167704.db2.gz UNBTYUOTNZDZQI-YRGRVCCFSA-N 3 2 255.406 0.514 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC[NH+]1C ZINC000386183977 336167706 /nfs/dbraw/zinc/16/77/06/336167706.db2.gz UNBTYUOTNZDZQI-YRGRVCCFSA-N 3 2 255.406 0.514 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC[NH+]1C ZINC000386183977 336167707 /nfs/dbraw/zinc/16/77/07/336167707.db2.gz UNBTYUOTNZDZQI-YRGRVCCFSA-N 3 2 255.406 0.514 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)C[C@H]1CCCO1 ZINC000386429854 336173877 /nfs/dbraw/zinc/17/38/77/336173877.db2.gz OHWOWFBMHROZRA-QWHCGFSZSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@H]1CCCO1 ZINC000386429854 336173878 /nfs/dbraw/zinc/17/38/78/336173878.db2.gz OHWOWFBMHROZRA-QWHCGFSZSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)C[C@H]1CCCO1 ZINC000386429854 336173879 /nfs/dbraw/zinc/17/38/79/336173879.db2.gz OHWOWFBMHROZRA-QWHCGFSZSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@H]1CCCO1 ZINC000386429854 336173881 /nfs/dbraw/zinc/17/38/81/336173881.db2.gz OHWOWFBMHROZRA-QWHCGFSZSA-N 2 2 260.378 0.036 20 0 CCADLP CCc1cc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)nc(C)[nH+]1 ZINC000405655614 545092566 /nfs/dbraw/zinc/09/25/66/545092566.db2.gz HIVMBXQJWZANLG-QWHCGFSZSA-N 2 2 262.357 0.603 20 0 CCADLP CCc1cc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)nc(C)[nH+]1 ZINC000405655614 545092567 /nfs/dbraw/zinc/09/25/67/545092567.db2.gz HIVMBXQJWZANLG-QWHCGFSZSA-N 2 2 262.357 0.603 20 0 CCADLP C[C@@H]1CCCC[N@@H+]1CCC(=O)N1C[C@@H]2[C@H](C1)OCC[NH+]2C ZINC000413853176 545092936 /nfs/dbraw/zinc/09/29/36/545092936.db2.gz HYAUIMMNLPNKHC-KFWWJZLASA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]1CCCC[N@H+]1CCC(=O)N1C[C@@H]2[C@H](C1)OCC[NH+]2C ZINC000413853176 545092937 /nfs/dbraw/zinc/09/29/37/545092937.db2.gz HYAUIMMNLPNKHC-KFWWJZLASA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]1CCCC[NH+]1CCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000413853176 545092938 /nfs/dbraw/zinc/09/29/38/545092938.db2.gz HYAUIMMNLPNKHC-KFWWJZLASA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]1CCCC[NH+]1CCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000413853176 545092939 /nfs/dbraw/zinc/09/29/39/545092939.db2.gz HYAUIMMNLPNKHC-KFWWJZLASA-N 2 2 295.427 0.792 20 0 CCADLP CC[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCS(=O)(=O)C1 ZINC000182871912 521042090 /nfs/dbraw/zinc/04/20/90/521042090.db2.gz BNAFRBPMQNNBNA-GFCCVEGCSA-N 2 2 271.386 0.782 20 0 CCADLP CC[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCS(=O)(=O)C1 ZINC000182871912 521042104 /nfs/dbraw/zinc/04/21/04/521042104.db2.gz BNAFRBPMQNNBNA-GFCCVEGCSA-N 2 2 271.386 0.782 20 0 CCADLP COC(=O)c1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c[nH]1 ZINC000427135145 533800305 /nfs/dbraw/zinc/80/03/05/533800305.db2.gz ANYFNOQHIASXIX-RYUDHWBXSA-N 2 2 263.341 0.985 20 0 CCADLP COC(=O)c1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c[nH]1 ZINC000427135145 533800313 /nfs/dbraw/zinc/80/03/13/533800313.db2.gz ANYFNOQHIASXIX-RYUDHWBXSA-N 2 2 263.341 0.985 20 0 CCADLP COC(=O)c1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c[nH]1 ZINC000427135143 533801505 /nfs/dbraw/zinc/80/15/05/533801505.db2.gz ANYFNOQHIASXIX-NEPJUHHUSA-N 2 2 263.341 0.985 20 0 CCADLP COC(=O)c1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c[nH]1 ZINC000427135143 533801511 /nfs/dbraw/zinc/80/15/11/533801511.db2.gz ANYFNOQHIASXIX-NEPJUHHUSA-N 2 2 263.341 0.985 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@H+](CCCO)C2)[C@H](C)O1 ZINC000449398876 533967432 /nfs/dbraw/zinc/96/74/32/533967432.db2.gz WRMGTMVTYNLDCL-RFGFWPKPSA-N 2 2 256.390 0.989 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+](CCCO)C2)[C@H](C)O1 ZINC000449398876 533967444 /nfs/dbraw/zinc/96/74/44/533967444.db2.gz WRMGTMVTYNLDCL-RFGFWPKPSA-N 2 2 256.390 0.989 20 0 CCADLP [NH3+]CCC1CCN(C(=O)[C@H]([NH3+])c2cscn2)CC1 ZINC000580206400 518197305 /nfs/dbraw/zinc/19/73/05/518197305.db2.gz DKHPWHSNCPYSTE-LLVKDONJSA-N 2 2 268.386 0.730 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC([NH2+]CC2CC2)CC1 ZINC000149524324 518386881 /nfs/dbraw/zinc/38/68/81/518386881.db2.gz RLOPCIKLIVZTPX-UHFFFAOYSA-N 2 2 267.417 0.783 20 0 CCADLP C(C[NH+]1CCC([NH2+]CC2CC2)CC1)N1CCOCC1 ZINC000149524324 518386891 /nfs/dbraw/zinc/38/68/91/518386891.db2.gz RLOPCIKLIVZTPX-UHFFFAOYSA-N 2 2 267.417 0.783 20 0 CCADLP Cc1ccn2cc(CNC(=O)N[C@H](C)C[NH3+])[nH+]c2c1 ZINC000417241124 534362791 /nfs/dbraw/zinc/36/27/91/534362791.db2.gz NATMRQNMKJBZEU-SNVBAGLBSA-N 2 2 261.329 0.789 20 0 CCADLP Cc1cc[nH+]cc1N1CC[NH+](C[C@H]2COCCO2)CC1 ZINC000450897817 534425074 /nfs/dbraw/zinc/42/50/74/534425074.db2.gz BAEXLALNHWZVFS-AWEZNQCLSA-N 2 2 277.368 0.927 20 0 CCADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCn3cc[nH+]c3C2)C1(C)C ZINC000157226765 520394451 /nfs/dbraw/zinc/39/44/51/520394451.db2.gz SKUKXABJBRQMAP-IAQYHMDHSA-N 2 2 292.383 0.758 20 0 CCADLP CCNC(=O)CC[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000183787363 521735670 /nfs/dbraw/zinc/73/56/70/521735670.db2.gz QWESNVSMQZYGRD-UHFFFAOYSA-N 2 2 277.372 0.433 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000157419727 521740811 /nfs/dbraw/zinc/74/08/11/521740811.db2.gz UPGHZKIQWCDHNS-UHFFFAOYSA-N 2 2 270.377 0.248 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000157419727 521740812 /nfs/dbraw/zinc/74/08/12/521740812.db2.gz UPGHZKIQWCDHNS-UHFFFAOYSA-N 2 2 270.377 0.248 20 0 CCADLP O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423611085 534597019 /nfs/dbraw/zinc/59/70/19/534597019.db2.gz RLWXTPWAVCIKTK-ZNMIVQPWSA-N 2 2 293.411 0.165 20 0 CCADLP O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423611085 534597027 /nfs/dbraw/zinc/59/70/27/534597027.db2.gz RLWXTPWAVCIKTK-ZNMIVQPWSA-N 2 2 293.411 0.165 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000364994938 521944756 /nfs/dbraw/zinc/94/47/56/521944756.db2.gz NBOUEDFPTQDTCR-XQQFMLRXSA-N 2 2 269.389 0.293 20 0 CCADLP CN(C)c1ncc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000357117452 522341975 /nfs/dbraw/zinc/34/19/75/522341975.db2.gz INAWWEQXFAXBCR-CHWSQXEVSA-N 2 2 261.373 0.584 20 0 CCADLP CN(C)c1ncc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000357117452 522341987 /nfs/dbraw/zinc/34/19/87/522341987.db2.gz INAWWEQXFAXBCR-CHWSQXEVSA-N 2 2 261.373 0.584 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000364987832 523866087 /nfs/dbraw/zinc/86/60/87/523866087.db2.gz MEANRRAXCLNMIW-QWHCGFSZSA-N 2 2 292.383 0.282 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000364987832 523866090 /nfs/dbraw/zinc/86/60/90/523866090.db2.gz MEANRRAXCLNMIW-QWHCGFSZSA-N 2 2 292.383 0.282 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000366093444 524470335 /nfs/dbraw/zinc/47/03/35/524470335.db2.gz SLIUPEZLQJOLIK-GXTWGEPZSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000366093444 524470349 /nfs/dbraw/zinc/47/03/49/524470349.db2.gz SLIUPEZLQJOLIK-GXTWGEPZSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H](CCO)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369521570 524514136 /nfs/dbraw/zinc/51/41/36/524514136.db2.gz LUMTUZFEYQNNDK-STQMWFEESA-N 2 2 298.431 0.225 20 0 CCADLP C[C@@H](CCO)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369521570 524514144 /nfs/dbraw/zinc/51/41/44/524514144.db2.gz LUMTUZFEYQNNDK-STQMWFEESA-N 2 2 298.431 0.225 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)C[C@H](C)O1 ZINC000366557041 524783074 /nfs/dbraw/zinc/78/30/74/524783074.db2.gz NWDSXILPTADXII-LZWOXQAQSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)C[C@H](C)O1 ZINC000366557041 524783080 /nfs/dbraw/zinc/78/30/80/524783080.db2.gz NWDSXILPTADXII-LZWOXQAQSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)C[C@H](C)O1 ZINC000366557041 524783094 /nfs/dbraw/zinc/78/30/94/524783094.db2.gz NWDSXILPTADXII-LZWOXQAQSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)C[C@H](C)O1 ZINC000366557041 524783102 /nfs/dbraw/zinc/78/31/02/524783102.db2.gz NWDSXILPTADXII-LZWOXQAQSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@H](CC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)[C@@H]1CCC[NH2+]C1 ZINC000156202740 526241762 /nfs/dbraw/zinc/24/17/62/526241762.db2.gz LAHWNZRQRZZKDE-KFWWJZLASA-N 2 2 296.459 0.374 20 0 CCADLP C[C@H](CC(=O)NC[C@H]1CN(C)CC[N@H+]1C)[C@@H]1CCC[NH2+]C1 ZINC000156202740 526241766 /nfs/dbraw/zinc/24/17/66/526241766.db2.gz LAHWNZRQRZZKDE-KFWWJZLASA-N 2 2 296.459 0.374 20 0 CCADLP O=C(NCC[N@H+]1CC=CCC1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000366130042 526300591 /nfs/dbraw/zinc/30/05/91/526300591.db2.gz QGHUSGCQJSLMLH-GFCCVEGCSA-N 2 2 289.383 0.828 20 0 CCADLP O=C(NCC[N@@H+]1CC=CCC1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000366130042 526300595 /nfs/dbraw/zinc/30/05/95/526300595.db2.gz QGHUSGCQJSLMLH-GFCCVEGCSA-N 2 2 289.383 0.828 20 0 CCADLP O=C(NCC[N@H+]1CC=CCC1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000366130042 526300597 /nfs/dbraw/zinc/30/05/97/526300597.db2.gz QGHUSGCQJSLMLH-GFCCVEGCSA-N 2 2 289.383 0.828 20 0 CCADLP O=C(NCC[N@@H+]1CC=CCC1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000366130042 526300601 /nfs/dbraw/zinc/30/06/01/526300601.db2.gz QGHUSGCQJSLMLH-GFCCVEGCSA-N 2 2 289.383 0.828 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1c1nc[nH+]c2c1OCCN2 ZINC000665709748 545104599 /nfs/dbraw/zinc/10/45/99/545104599.db2.gz LYYMAVMBPIWTBL-NXEZZACHSA-N 2 2 263.345 0.810 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1nc[nH+]c2c1OCCN2 ZINC000665709748 545104600 /nfs/dbraw/zinc/10/46/00/545104600.db2.gz LYYMAVMBPIWTBL-NXEZZACHSA-N 2 2 263.345 0.810 20 0 CCADLP O=C(CCC1CC[NH2+]CC1)NCC[NH+]1CCOCC1 ZINC000050940154 526410623 /nfs/dbraw/zinc/41/06/23/526410623.db2.gz BNXNZWIGDSRHSM-UHFFFAOYSA-N 2 2 269.389 0.215 20 0 CCADLP c1cc(N2CC[NH+]3CCC2CC3)nc(N2CCOCC2)[nH+]1 ZINC000365048489 526432511 /nfs/dbraw/zinc/43/25/11/526432511.db2.gz UUXMNMWDNCXTDD-UHFFFAOYSA-N 2 2 289.383 0.598 20 0 CCADLP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449643652 526701453 /nfs/dbraw/zinc/70/14/53/526701453.db2.gz BRSVDCWIGIXSCE-RKDXNWHRSA-N 2 2 263.332 0.721 20 0 CCADLP Cc1cc(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)cc[nH+]1 ZINC000666490815 545123985 /nfs/dbraw/zinc/12/39/85/545123985.db2.gz ZVSZAVRISJAYPZ-AWEZNQCLSA-N 2 2 290.367 0.750 20 0 CCADLP COCCn1cc(C[NH2+]C[C@H]2CCCC[NH2+]2)cn1 ZINC000666769305 545130463 /nfs/dbraw/zinc/13/04/63/545130463.db2.gz YNBDLGJGCRLMES-CYBMUJFWSA-N 2 2 252.362 0.761 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000666927015 545135268 /nfs/dbraw/zinc/13/52/68/545135268.db2.gz DGPKNRXHUIKGEG-AWEZNQCLSA-N 2 2 298.431 0.444 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000666927015 545135269 /nfs/dbraw/zinc/13/52/69/545135269.db2.gz DGPKNRXHUIKGEG-AWEZNQCLSA-N 2 2 298.431 0.444 20 0 CCADLP O=C(NC[C@H]1C[NH2+]CCCO1)Nc1ccc2[nH+]ccn2c1 ZINC000667120593 545138779 /nfs/dbraw/zinc/13/87/79/545138779.db2.gz UXEYKBNUJADQBO-GFCCVEGCSA-N 2 2 289.339 0.834 20 0 CCADLP [NH3+]C[C@@H](C(=O)NCCn1cc[nH+]c1)c1ccccc1 ZINC000061612754 527200991 /nfs/dbraw/zinc/20/09/91/527200991.db2.gz NLIDCCDKZVJEEF-CYBMUJFWSA-N 2 2 258.325 0.742 20 0 CCADLP C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667512483 545149131 /nfs/dbraw/zinc/14/91/31/545149131.db2.gz GRGGPIFDTAQJBA-WDEREUQCSA-N 2 2 262.357 0.915 20 0 CCADLP C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667512483 545149132 /nfs/dbraw/zinc/14/91/32/545149132.db2.gz GRGGPIFDTAQJBA-WDEREUQCSA-N 2 2 262.357 0.915 20 0 CCADLP c1nn2c(c1C[N@H+]1CC[C@@H](C[NH+]3CCOCC3)C1)CCC2 ZINC000667670245 545153355 /nfs/dbraw/zinc/15/33/55/545153355.db2.gz IDUZTUVRXOPJTK-AWEZNQCLSA-N 2 2 290.411 0.983 20 0 CCADLP c1nn2c(c1C[N@@H+]1CC[C@@H](C[NH+]3CCOCC3)C1)CCC2 ZINC000667670245 545153356 /nfs/dbraw/zinc/15/33/56/545153356.db2.gz IDUZTUVRXOPJTK-AWEZNQCLSA-N 2 2 290.411 0.983 20 0 CCADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](C)C[C@H]2C(N)=O)n1C ZINC000668012508 545161146 /nfs/dbraw/zinc/16/11/46/545161146.db2.gz CYORVYHIZUMLOX-SKDRFNHKSA-N 2 2 250.346 0.814 20 0 CCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(N)=O)n1C ZINC000668012508 545161147 /nfs/dbraw/zinc/16/11/47/545161147.db2.gz CYORVYHIZUMLOX-SKDRFNHKSA-N 2 2 250.346 0.814 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cnnn2C)C1 ZINC000364760868 527459562 /nfs/dbraw/zinc/45/95/62/527459562.db2.gz SDCRXGKBFRJDTP-LLVKDONJSA-N 2 2 260.345 0.928 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cnnn2C)C1 ZINC000364760868 527459565 /nfs/dbraw/zinc/45/95/65/527459565.db2.gz SDCRXGKBFRJDTP-LLVKDONJSA-N 2 2 260.345 0.928 20 0 CCADLP C(CN1CCOCC1)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428041386 527481794 /nfs/dbraw/zinc/48/17/94/527481794.db2.gz PNPZKYTYYJZVTA-ZIAGYGMSSA-N 2 2 253.390 0.393 20 0 CCADLP C(CN1CCOCC1)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428041386 527481795 /nfs/dbraw/zinc/48/17/95/527481795.db2.gz PNPZKYTYYJZVTA-ZIAGYGMSSA-N 2 2 253.390 0.393 20 0 CCADLP C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1c[nH+]c2n1CCC2 ZINC000668225568 545168348 /nfs/dbraw/zinc/16/83/48/545168348.db2.gz PXJWWJBPYUMUNY-YPMHNXCESA-N 2 2 265.357 0.801 20 0 CCADLP C[C@H]1OCC[C@@H]1[N@@H+](CCO)Cc1c[nH+]c2n1CCC2 ZINC000668225568 545168349 /nfs/dbraw/zinc/16/83/49/545168349.db2.gz PXJWWJBPYUMUNY-YPMHNXCESA-N 2 2 265.357 0.801 20 0 CCADLP OCC1(O)CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000668548920 545181518 /nfs/dbraw/zinc/18/15/18/545181518.db2.gz PSDPMJIAMOKHBW-UHFFFAOYSA-N 2 2 288.351 0.587 20 0 CCADLP C[NH+](C)C1(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000668640488 545184777 /nfs/dbraw/zinc/18/47/77/545184777.db2.gz SHBIPMKDQQVNQZ-ZDUSSCGKSA-N 3 2 294.443 0.365 20 0 CCADLP C[NH+](C)C1(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000668640488 545184778 /nfs/dbraw/zinc/18/47/78/545184778.db2.gz SHBIPMKDQQVNQZ-ZDUSSCGKSA-N 3 2 294.443 0.365 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2CC[C@H]3COC[C@H]3C2)n1C ZINC000668705079 545188416 /nfs/dbraw/zinc/18/84/16/545188416.db2.gz GCKGUIOZLHNQMF-NWDGAFQWSA-N 2 2 264.373 0.954 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000668704359 545188461 /nfs/dbraw/zinc/18/84/61/545188461.db2.gz UGQYPYDOULRWHV-VXGBXAGGSA-N 2 2 264.373 0.980 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000668704359 545188462 /nfs/dbraw/zinc/18/84/62/545188462.db2.gz UGQYPYDOULRWHV-VXGBXAGGSA-N 2 2 264.373 0.980 20 0 CCADLP CN(C(=O)c1ncc[nH]1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668616332 545183903 /nfs/dbraw/zinc/18/39/03/545183903.db2.gz BNEHHIXJJLQYST-ZDUSSCGKSA-N 2 2 291.399 0.650 20 0 CCADLP CN(C(=O)c1ncc[nH]1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668616332 545183904 /nfs/dbraw/zinc/18/39/04/545183904.db2.gz BNEHHIXJJLQYST-ZDUSSCGKSA-N 2 2 291.399 0.650 20 0 CCADLP CN(C(=O)[C@@H](O)C1CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668618693 545184163 /nfs/dbraw/zinc/18/41/63/545184163.db2.gz SWYHZLKTGDTULJ-CABCVRRESA-N 2 2 295.427 0.384 20 0 CCADLP CN(C(=O)[C@@H](O)C1CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668618693 545184164 /nfs/dbraw/zinc/18/41/64/545184164.db2.gz SWYHZLKTGDTULJ-CABCVRRESA-N 2 2 295.427 0.384 20 0 CCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCC(F)(F)C[NH3+] ZINC000418510735 527847618 /nfs/dbraw/zinc/84/76/18/527847618.db2.gz IMHOIPKPRLTMEI-SNVBAGLBSA-N 2 2 278.347 0.562 20 0 CCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCC(F)(F)C[NH3+] ZINC000418510735 527847620 /nfs/dbraw/zinc/84/76/20/527847620.db2.gz IMHOIPKPRLTMEI-SNVBAGLBSA-N 2 2 278.347 0.562 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)C1 ZINC000358194177 527974401 /nfs/dbraw/zinc/97/44/01/527974401.db2.gz BJICFYQVQBSRLL-QNSTZXKLSA-N 2 2 265.401 0.926 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)C1 ZINC000358194177 527974403 /nfs/dbraw/zinc/97/44/03/527974403.db2.gz BJICFYQVQBSRLL-QNSTZXKLSA-N 2 2 265.401 0.926 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)NC[C@H](C)[NH3+])cn2c1 ZINC000669401259 545206843 /nfs/dbraw/zinc/20/68/43/545206843.db2.gz ZMMHNOONJSWWLV-JTQLQIEISA-N 2 2 261.329 0.789 20 0 CCADLP C[C@@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccncc1 ZINC000669519163 545212110 /nfs/dbraw/zinc/21/21/10/545212110.db2.gz WFXCALVLBBBVHF-JSGCOSHPSA-N 2 2 291.399 0.469 20 0 CCADLP C[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccncc1 ZINC000669519163 545212111 /nfs/dbraw/zinc/21/21/11/545212111.db2.gz WFXCALVLBBBVHF-JSGCOSHPSA-N 2 2 291.399 0.469 20 0 CCADLP CC[C@@H]1CCC[C@@H]1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000669528334 545212842 /nfs/dbraw/zinc/21/28/42/545212842.db2.gz XXVFCESZTCYKQZ-AGIUHOORSA-N 2 2 268.405 0.849 20 0 CCADLP CC[C@@H]1CCC[C@@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000669528334 545212843 /nfs/dbraw/zinc/21/28/43/545212843.db2.gz XXVFCESZTCYKQZ-AGIUHOORSA-N 2 2 268.405 0.849 20 0 CCADLP CS(=O)(=O)NC1CC([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000669831675 545221848 /nfs/dbraw/zinc/22/18/48/545221848.db2.gz ODILFKUBWSXQQB-UHFFFAOYSA-N 2 2 294.380 0.504 20 0 CCADLP O=C(C[N@H+]1CC[C@](F)(CO)C1)NC1CC[NH+](C2CC2)CC1 ZINC000670111427 545229100 /nfs/dbraw/zinc/22/91/00/545229100.db2.gz YHQPVPBBBZDCPD-OAHLLOKOSA-N 2 2 299.390 0.136 20 0 CCADLP O=C(C[N@@H+]1CC[C@](F)(CO)C1)NC1CC[NH+](C2CC2)CC1 ZINC000670111427 545229101 /nfs/dbraw/zinc/22/91/01/545229101.db2.gz YHQPVPBBBZDCPD-OAHLLOKOSA-N 2 2 299.390 0.136 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000424015915 528480971 /nfs/dbraw/zinc/48/09/71/528480971.db2.gz CYGPJMOCMWWXLR-KGLIPLIRSA-N 2 2 299.415 0.064 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000424015915 528480972 /nfs/dbraw/zinc/48/09/72/528480972.db2.gz CYGPJMOCMWWXLR-KGLIPLIRSA-N 2 2 299.415 0.064 20 0 CCADLP CC(C)[C@H](CNC(=O)/C=C\c1[nH]cc[nH+]1)[NH+]1CCOCC1 ZINC000493077970 528996469 /nfs/dbraw/zinc/99/64/69/528996469.db2.gz ZLQUJSOXUNXZLV-SCOBNMCVSA-N 2 2 292.383 0.896 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000672989601 545276827 /nfs/dbraw/zinc/27/68/27/545276827.db2.gz MJUSQPWWAAGTCH-ZYHUDNBSSA-N 2 2 250.346 0.419 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000672989601 545276828 /nfs/dbraw/zinc/27/68/28/545276828.db2.gz MJUSQPWWAAGTCH-ZYHUDNBSSA-N 2 2 250.346 0.419 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](SC)C2)CC1 ZINC000451318117 529130809 /nfs/dbraw/zinc/13/08/09/529130809.db2.gz DXJKGRDFFIQDDO-OLZOCXBDSA-N 2 2 285.457 0.976 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](SC)C2)CC1 ZINC000451318117 529130811 /nfs/dbraw/zinc/13/08/11/529130811.db2.gz DXJKGRDFFIQDDO-OLZOCXBDSA-N 2 2 285.457 0.976 20 0 CCADLP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC000673672626 545290891 /nfs/dbraw/zinc/29/08/91/545290891.db2.gz HHISSRHBIPKRSK-CQSZACIVSA-N 2 2 291.399 0.122 20 0 CCADLP C[N@H+]1CCC[C@@H](N2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC000673672626 545290892 /nfs/dbraw/zinc/29/08/92/545290892.db2.gz HHISSRHBIPKRSK-CQSZACIVSA-N 2 2 291.399 0.122 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000674119827 545299979 /nfs/dbraw/zinc/29/99/79/545299979.db2.gz XPMVIRQBCXHWHJ-VXGBXAGGSA-N 2 2 250.346 0.872 20 0 CCADLP CC[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@@H+]1C[C@H](C)O ZINC000492856001 529347254 /nfs/dbraw/zinc/34/72/54/529347254.db2.gz BBDLOFPAQFBNRY-UISIKIEVSA-N 2 2 292.383 0.727 20 0 CCADLP CC[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@H+]1C[C@H](C)O ZINC000492856001 529347256 /nfs/dbraw/zinc/34/72/56/529347256.db2.gz BBDLOFPAQFBNRY-UISIKIEVSA-N 2 2 292.383 0.727 20 0 CCADLP CC(C)[C@H](C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)N1CC[NH+](C)CC1 ZINC000343266515 535019449 /nfs/dbraw/zinc/01/94/49/535019449.db2.gz FHPMSPOMEYQSCT-XHSDSOJGSA-N 3 2 282.476 0.798 20 0 CCADLP CC(C)[C@H](C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)N1CC[NH+](C)CC1 ZINC000343266515 535019452 /nfs/dbraw/zinc/01/94/52/535019452.db2.gz FHPMSPOMEYQSCT-XHSDSOJGSA-N 3 2 282.476 0.798 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC[NH+](C)CC ZINC000370347787 535271136 /nfs/dbraw/zinc/27/11/36/535271136.db2.gz GYRKOWXEYSBMGV-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC[NH+](C)CC ZINC000370347787 535271141 /nfs/dbraw/zinc/27/11/41/535271141.db2.gz GYRKOWXEYSBMGV-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP CCCC[NH+]1CCOC[C@@H]1C(=O)NCC[N@H+](C)CC ZINC000370347787 535271145 /nfs/dbraw/zinc/27/11/45/535271145.db2.gz GYRKOWXEYSBMGV-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP CCCC[NH+]1CCOC[C@@H]1C(=O)NCC[N@@H+](C)CC ZINC000370347787 535271150 /nfs/dbraw/zinc/27/11/50/535271150.db2.gz GYRKOWXEYSBMGV-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCN(C)S(C)(=O)=O ZINC000675746511 545330993 /nfs/dbraw/zinc/33/09/93/545330993.db2.gz JNNAQYLAAGXCEB-YPMHNXCESA-N 2 2 289.445 0.340 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCN(C)S(C)(=O)=O ZINC000675746511 545330994 /nfs/dbraw/zinc/33/09/94/545330994.db2.gz JNNAQYLAAGXCEB-YPMHNXCESA-N 2 2 289.445 0.340 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCN(C)S(C)(=O)=O ZINC000675746509 545331180 /nfs/dbraw/zinc/33/11/80/545331180.db2.gz JNNAQYLAAGXCEB-WCQYABFASA-N 2 2 289.445 0.340 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCN(C)S(C)(=O)=O ZINC000675746509 545331181 /nfs/dbraw/zinc/33/11/81/545331181.db2.gz JNNAQYLAAGXCEB-WCQYABFASA-N 2 2 289.445 0.340 20 0 CCADLP Cn1ncc2c1CCC[C@H]2[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000675781924 545331244 /nfs/dbraw/zinc/33/12/44/545331244.db2.gz HHLSTALSLYOTMD-CYBMUJFWSA-N 2 2 291.399 0.161 20 0 CCADLP CCOC[C@H](O)C[NH+]1CCN(c2cccc(C)[nH+]2)CC1 ZINC000675901768 545332619 /nfs/dbraw/zinc/33/26/19/545332619.db2.gz NSUMVZHIWFSIFE-CQSZACIVSA-N 2 2 279.384 0.909 20 0 CCADLP Cc1c(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cnn1C ZINC000675964913 545333129 /nfs/dbraw/zinc/33/31/29/545333129.db2.gz IWVSBMJVBPBIPB-INIZCTEOSA-N 2 2 291.443 0.940 20 0 CCADLP Cc1c(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cnn1C ZINC000675964913 545333130 /nfs/dbraw/zinc/33/31/30/545333130.db2.gz IWVSBMJVBPBIPB-INIZCTEOSA-N 2 2 291.443 0.940 20 0 CCADLP CCOC(=O)[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000312528959 535523016 /nfs/dbraw/zinc/52/30/16/535523016.db2.gz OTYFITYGZLODMD-TZMCWYRMSA-N 2 2 284.400 0.717 20 0 CCADLP CCOC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000312528959 535523018 /nfs/dbraw/zinc/52/30/18/535523018.db2.gz OTYFITYGZLODMD-TZMCWYRMSA-N 2 2 284.400 0.717 20 0 CCADLP CCOC(=O)[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000312528959 535523026 /nfs/dbraw/zinc/52/30/26/535523026.db2.gz OTYFITYGZLODMD-TZMCWYRMSA-N 2 2 284.400 0.717 20 0 CCADLP CCOC(=O)[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000312528959 535523028 /nfs/dbraw/zinc/52/30/28/535523028.db2.gz OTYFITYGZLODMD-TZMCWYRMSA-N 2 2 284.400 0.717 20 0 CCADLP C[C@H]([C@H](C)NC(=O)NCC[NH+]1CCC1)[NH+]1CCOCC1 ZINC000677011874 545356713 /nfs/dbraw/zinc/35/67/13/545356713.db2.gz DLWCZUUGIACACE-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)CS(C)(=O)=O)CC1 ZINC000341761625 535740908 /nfs/dbraw/zinc/74/09/08/535740908.db2.gz RMVPVFSMAPTGBN-QWHCGFSZSA-N 2 2 291.461 0.035 20 0 CCADLP C[C@@H]1CCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000677577150 545368901 /nfs/dbraw/zinc/36/89/01/545368901.db2.gz FECLVFLPTPACLJ-GFCCVEGCSA-N 2 2 268.405 0.816 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1)C(=O)OC ZINC000251854319 535961810 /nfs/dbraw/zinc/96/18/10/535961810.db2.gz NLPJASJTXNUCCL-SFTQSGBHSA-N 2 2 299.415 0.359 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1)C(=O)OC ZINC000251854319 535961815 /nfs/dbraw/zinc/96/18/15/535961815.db2.gz NLPJASJTXNUCCL-SFTQSGBHSA-N 2 2 299.415 0.359 20 0 CCADLP CC[N@@H+]1CCN(C(=O)C[NH+](C)[C@@H]2CCSC2)C[C@H]1C ZINC000677931623 545377668 /nfs/dbraw/zinc/37/76/68/545377668.db2.gz UVWXXALVFRXMQP-CHWSQXEVSA-N 2 2 285.457 0.976 20 0 CCADLP CC[N@H+]1CCN(C(=O)C[NH+](C)[C@@H]2CCSC2)C[C@H]1C ZINC000677931623 545377669 /nfs/dbraw/zinc/37/76/69/545377669.db2.gz UVWXXALVFRXMQP-CHWSQXEVSA-N 2 2 285.457 0.976 20 0 CCADLP CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)C[C@H]1C ZINC000677931623 545377670 /nfs/dbraw/zinc/37/76/70/545377670.db2.gz UVWXXALVFRXMQP-CHWSQXEVSA-N 2 2 285.457 0.976 20 0 CCADLP CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)C[C@H]1C ZINC000677931623 545377671 /nfs/dbraw/zinc/37/76/71/545377671.db2.gz UVWXXALVFRXMQP-CHWSQXEVSA-N 2 2 285.457 0.976 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(S(C)(=O)=O)CC1 ZINC000678077693 545384021 /nfs/dbraw/zinc/38/40/21/545384021.db2.gz BKLPTPGQCZNFPF-LBPRGKRZSA-N 2 2 274.430 0.980 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(S(C)(=O)=O)CC1 ZINC000678077693 545384022 /nfs/dbraw/zinc/38/40/22/545384022.db2.gz BKLPTPGQCZNFPF-LBPRGKRZSA-N 2 2 274.430 0.980 20 0 CCADLP CC[C@H]([NH3+])C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000269249058 536140497 /nfs/dbraw/zinc/14/04/97/536140497.db2.gz WPBSODUYDOESMI-HNNXBMFYSA-N 2 2 291.395 0.947 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000357359410 536353997 /nfs/dbraw/zinc/35/39/97/536353997.db2.gz BSZOJDAIRKVMDM-VXGBXAGGSA-N 2 2 275.418 0.224 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000357359410 536354001 /nfs/dbraw/zinc/35/40/01/536354001.db2.gz BSZOJDAIRKVMDM-VXGBXAGGSA-N 2 2 275.418 0.224 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000357359410 536354004 /nfs/dbraw/zinc/35/40/04/536354004.db2.gz BSZOJDAIRKVMDM-VXGBXAGGSA-N 2 2 275.418 0.224 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000357359410 536354007 /nfs/dbraw/zinc/35/40/07/536354007.db2.gz BSZOJDAIRKVMDM-VXGBXAGGSA-N 2 2 275.418 0.224 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CC(=O)N2CCC2)CC1 ZINC000346024869 536355269 /nfs/dbraw/zinc/35/52/69/536355269.db2.gz JIKBKBZXJVYOBU-OAHLLOKOSA-N 2 2 294.443 0.321 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CC(=O)N2CCC2)CC1 ZINC000346024869 536355272 /nfs/dbraw/zinc/35/52/72/536355272.db2.gz JIKBKBZXJVYOBU-OAHLLOKOSA-N 2 2 294.443 0.321 20 0 CCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC=CCC3)cn2)CC1 ZINC000679357452 545407655 /nfs/dbraw/zinc/40/76/55/545407655.db2.gz RCZDDOPSSGRWIG-UHFFFAOYSA-N 2 2 273.384 0.990 20 0 CCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC=CCC3)cn2)CC1 ZINC000679357452 545407656 /nfs/dbraw/zinc/40/76/56/545407656.db2.gz RCZDDOPSSGRWIG-UHFFFAOYSA-N 2 2 273.384 0.990 20 0 CCADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)[nH]1 ZINC000347137462 536670096 /nfs/dbraw/zinc/67/00/96/536670096.db2.gz ULWXUPNKHVZVPG-GXSJLCMTSA-N 2 2 251.330 0.970 20 0 CCADLP COC(=O)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)[nH]1 ZINC000347137462 536670106 /nfs/dbraw/zinc/67/01/06/536670106.db2.gz ULWXUPNKHVZVPG-GXSJLCMTSA-N 2 2 251.330 0.970 20 0 CCADLP c1cn(-c2cc(N3CC[N@H+]4CCOC[C@H]4C3)ncn2)c[nH+]1 ZINC000680377378 545427060 /nfs/dbraw/zinc/42/70/60/545427060.db2.gz LYZUKERAOWKCQC-GFCCVEGCSA-N 2 2 286.339 0.183 20 0 CCADLP c1cn(-c2cc(N3CC[N@@H+]4CCOC[C@H]4C3)ncn2)c[nH+]1 ZINC000680377378 545427061 /nfs/dbraw/zinc/42/70/61/545427061.db2.gz LYZUKERAOWKCQC-GFCCVEGCSA-N 2 2 286.339 0.183 20 0 CCADLP Cc1cc(NC(=O)N2CC[N@H+](CCO)C(C)(C)C2)cc[nH+]1 ZINC000682053544 545472067 /nfs/dbraw/zinc/47/20/67/545472067.db2.gz KZEFQYNNKMOOLB-UHFFFAOYSA-N 2 2 292.383 0.732 20 0 CCADLP Cc1cc(NC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)cc[nH+]1 ZINC000682053544 545472068 /nfs/dbraw/zinc/47/20/68/545472068.db2.gz KZEFQYNNKMOOLB-UHFFFAOYSA-N 2 2 292.383 0.732 20 0 CCADLP O=C(NCC[NH+]1CCCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000682443325 545479252 /nfs/dbraw/zinc/47/92/52/545479252.db2.gz FHPFARCZNKLOOM-LBPRGKRZSA-N 2 2 262.357 0.658 20 0 CCADLP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682488276 545480434 /nfs/dbraw/zinc/48/04/34/545480434.db2.gz CHOARWLZLLXEII-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP COC1(C[NH2+]CC(=O)N2CC[NH+](C)CC2)CCCCC1 ZINC000682940584 545493378 /nfs/dbraw/zinc/49/33/78/545493378.db2.gz WHVGMVOATOXYAN-UHFFFAOYSA-N 2 2 283.416 0.699 20 0 CCADLP CC(C)[C@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CS1 ZINC000683108772 545495584 /nfs/dbraw/zinc/49/55/84/545495584.db2.gz GQZKZSPYTRMBMO-CHWSQXEVSA-N 2 2 285.457 0.880 20 0 CCADLP O=C([C@@H]1CCC[N@H+]1C1CC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000683859179 545572702 /nfs/dbraw/zinc/57/27/02/545572702.db2.gz OLODCBNWRLWAAQ-GJZGRUSLSA-N 2 2 293.411 0.546 20 0 CCADLP Cn1c[nH+]c(CN2CC[NH+](CC3CCOCC3)CC2)c1 ZINC000683897489 545578102 /nfs/dbraw/zinc/57/81/02/545578102.db2.gz DYKADKDWPDRTSH-UHFFFAOYSA-N 2 2 278.400 0.964 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(Cc2cn(C)c[nH+]2)CC1 ZINC000683897961 545579021 /nfs/dbraw/zinc/57/90/21/545579021.db2.gz HROIZKQEVOLRFQ-CYBMUJFWSA-N 2 2 252.362 0.309 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC1OCCO1 ZINC000777709649 581131030 /nfs/dbraw/zinc/13/10/30/581131030.db2.gz PKMXUBUNWRLBMQ-UPJWGTAASA-N 2 2 270.373 0.543 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC1OCCO1 ZINC000777709649 581131032 /nfs/dbraw/zinc/13/10/32/581131032.db2.gz PKMXUBUNWRLBMQ-UPJWGTAASA-N 2 2 270.373 0.543 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000726255685 581233309 /nfs/dbraw/zinc/23/33/09/581233309.db2.gz JIIBRBWDMSPRMD-CHWSQXEVSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000726255685 581233311 /nfs/dbraw/zinc/23/33/11/581233311.db2.gz JIIBRBWDMSPRMD-CHWSQXEVSA-N 2 2 286.420 0.347 20 0 CCADLP CC[N@H+](CCNC(=O)NCC[NH+]1CCO[C@H](C)C1)C1CC1 ZINC000726256755 581234887 /nfs/dbraw/zinc/23/48/87/581234887.db2.gz MUCWXNCLKZENHL-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@@H+](CCNC(=O)NCC[NH+]1CCO[C@H](C)C1)C1CC1 ZINC000726256755 581234888 /nfs/dbraw/zinc/23/48/88/581234888.db2.gz MUCWXNCLKZENHL-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH+](CCNC(=O)NCC[N@@H+]1CCO[C@H](C)C1)C1CC1 ZINC000726256755 581234890 /nfs/dbraw/zinc/23/48/90/581234890.db2.gz MUCWXNCLKZENHL-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH+](CCNC(=O)NCC[N@H+]1CCO[C@H](C)C1)C1CC1 ZINC000726256755 581234892 /nfs/dbraw/zinc/23/48/92/581234892.db2.gz MUCWXNCLKZENHL-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP Cn1c[nH+]cc1C[NH2+]C(C)(C)C(=O)N1CCCC1 ZINC000793394122 581296742 /nfs/dbraw/zinc/29/67/42/581296742.db2.gz JMORZQNEYDFBLK-UHFFFAOYSA-N 2 2 250.346 0.911 20 0 CCADLP CN(C)c1cc[nH+]c(NC(=S)NCC[NH+](C)C)c1 ZINC000783763453 581360474 /nfs/dbraw/zinc/36/04/74/581360474.db2.gz NPCMAAUFSUVTGW-UHFFFAOYSA-N 2 2 267.402 0.996 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+](C)C[C@H]2CCOC2)C1 ZINC000783989878 581369802 /nfs/dbraw/zinc/36/98/02/581369802.db2.gz OLZKSWCREHBPAM-CHWSQXEVSA-N 2 2 292.383 0.662 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+](C)C[C@H]2CCOC2)C1 ZINC000783989878 581369805 /nfs/dbraw/zinc/36/98/05/581369805.db2.gz OLZKSWCREHBPAM-CHWSQXEVSA-N 2 2 292.383 0.662 20 0 CCADLP COC[C@H]1CC[N@H+](CN2C[C@H](c3c[nH+]cn3C)CC2=O)C1 ZINC000783995816 581370327 /nfs/dbraw/zinc/37/03/27/581370327.db2.gz SWCARNVFZLTINU-QWHCGFSZSA-N 2 2 292.383 0.662 20 0 CCADLP COC[C@H]1CC[N@@H+](CN2C[C@H](c3c[nH+]cn3C)CC2=O)C1 ZINC000783995816 581370329 /nfs/dbraw/zinc/37/03/29/581370329.db2.gz SWCARNVFZLTINU-QWHCGFSZSA-N 2 2 292.383 0.662 20 0 CCADLP COC[C@@](C)(O)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000796305210 581436180 /nfs/dbraw/zinc/43/61/80/581436180.db2.gz PKGNGFDJCSOTOO-LBPRGKRZSA-N 2 2 273.402 0.692 20 0 CCADLP O[C@H](C[NH2+][C@H]1CCCc2n[nH]cc21)C[NH+]1CCCC1 ZINC000796703008 581448613 /nfs/dbraw/zinc/44/86/13/581448613.db2.gz OUDJAJSKPINQKQ-YPMHNXCESA-N 2 2 264.373 0.833 20 0 CCADLP CC(C)[C@@H]1CC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000796730378 581449100 /nfs/dbraw/zinc/44/91/00/581449100.db2.gz QWJSZKNQKIAPAL-QWHCGFSZSA-N 2 2 253.390 0.785 20 0 CCADLP NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000787335910 581468204 /nfs/dbraw/zinc/46/82/04/581468204.db2.gz ULENUVXAEQLUGB-SYQHCUMBSA-N 2 2 281.400 0.029 20 0 CCADLP NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000787335910 581468205 /nfs/dbraw/zinc/46/82/05/581468205.db2.gz ULENUVXAEQLUGB-SYQHCUMBSA-N 2 2 281.400 0.029 20 0 CCADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000765967066 581543255 /nfs/dbraw/zinc/54/32/55/581543255.db2.gz WRVBEWKJSYTPTB-VXGBXAGGSA-N 2 2 267.373 0.455 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000765967066 581543258 /nfs/dbraw/zinc/54/32/58/581543258.db2.gz WRVBEWKJSYTPTB-VXGBXAGGSA-N 2 2 267.373 0.455 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000765967066 581543261 /nfs/dbraw/zinc/54/32/61/581543261.db2.gz WRVBEWKJSYTPTB-VXGBXAGGSA-N 2 2 267.373 0.455 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000765967066 581543263 /nfs/dbraw/zinc/54/32/63/581543263.db2.gz WRVBEWKJSYTPTB-VXGBXAGGSA-N 2 2 267.373 0.455 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)N[C@H]2CC[NH+](C3CC3)C2)CCO1 ZINC000734272300 581552493 /nfs/dbraw/zinc/55/24/93/581552493.db2.gz QJSPFUYMGQZXMZ-STQMWFEESA-N 2 2 296.415 0.243 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC000734272300 581552496 /nfs/dbraw/zinc/55/24/96/581552496.db2.gz QJSPFUYMGQZXMZ-STQMWFEESA-N 2 2 296.415 0.243 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)N[C@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000734272300 581552500 /nfs/dbraw/zinc/55/25/00/581552500.db2.gz QJSPFUYMGQZXMZ-STQMWFEESA-N 2 2 296.415 0.243 20 0 CCADLP CCOC(=O)[C@@H]1C[N@H+](CCn2cc[nH+]c2C)CCO1 ZINC000766244999 581558665 /nfs/dbraw/zinc/55/86/65/581558665.db2.gz WKYNPYVTRARVSD-LBPRGKRZSA-N 2 2 267.329 0.455 20 0 CCADLP CCOC(=O)[C@@H]1C[N@@H+](CCn2cc[nH+]c2C)CCO1 ZINC000766244999 581558667 /nfs/dbraw/zinc/55/86/67/581558667.db2.gz WKYNPYVTRARVSD-LBPRGKRZSA-N 2 2 267.329 0.455 20 0 CCADLP CC[N@@H+]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC000754227498 581581216 /nfs/dbraw/zinc/58/12/16/581581216.db2.gz YPAWYQIHCDAFTI-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP CC[N@H+]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC000754227498 581581217 /nfs/dbraw/zinc/58/12/17/581581217.db2.gz YPAWYQIHCDAFTI-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP CN1CC[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000756117551 581656986 /nfs/dbraw/zinc/65/69/86/581656986.db2.gz BWOGOMZFCBPKSU-HUUCEWRRSA-N 2 2 267.417 0.924 20 0 CCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000771403830 581801626 /nfs/dbraw/zinc/80/16/26/581801626.db2.gz IUDDRUODVQDEGL-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000771403830 581801629 /nfs/dbraw/zinc/80/16/29/581801629.db2.gz IUDDRUODVQDEGL-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CC(C)[C@@H](C[NH+](C)C)NC(=O)CCn1cc[nH+]c1 ZINC000732308005 581819120 /nfs/dbraw/zinc/81/91/20/581819120.db2.gz QFBIIRSFELOFBW-GFCCVEGCSA-N 2 2 252.362 0.976 20 0 CCADLP C[C@H]1C[NH+]=C(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)S1 ZINC000744606882 581845730 /nfs/dbraw/zinc/84/57/30/581845730.db2.gz SDFVFFMSKTZGDQ-RYUDHWBXSA-N 2 2 296.440 0.716 20 0 CCADLP C[C@H]1C[NH+]=C(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)S1 ZINC000744606882 581845732 /nfs/dbraw/zinc/84/57/32/581845732.db2.gz SDFVFFMSKTZGDQ-RYUDHWBXSA-N 2 2 296.440 0.716 20 0 CCADLP NC(=O)NC(=O)OCCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000772184391 581845747 /nfs/dbraw/zinc/84/57/47/581845747.db2.gz RRPDCNBPSZKJCP-NSHDSACASA-N 2 2 295.343 0.715 20 0 CCADLP NC(=O)NC(=O)OCCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000772184391 581845748 /nfs/dbraw/zinc/84/57/48/581845748.db2.gz RRPDCNBPSZKJCP-NSHDSACASA-N 2 2 295.343 0.715 20 0 CCADLP NC(=O)NC(=O)OCCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000772208431 581846725 /nfs/dbraw/zinc/84/67/25/581846725.db2.gz DUHBIKJVAKFLRT-UHFFFAOYSA-N 2 2 295.343 0.784 20 0 CCADLP CC[C@H](O)C[NH+]1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000760872464 581877293 /nfs/dbraw/zinc/87/72/93/581877293.db2.gz MRQFLSUBWYXUMR-MNOVXSKESA-N 2 2 257.403 0.866 20 0 CCADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCS(C)(=O)=O)C1 ZINC000746674638 581922036 /nfs/dbraw/zinc/92/20/36/581922036.db2.gz HWTXBRFODKQYKU-ZDUSSCGKSA-N 2 2 292.445 0.464 20 0 CCADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCS(C)(=O)=O)C1 ZINC000746674638 581922038 /nfs/dbraw/zinc/92/20/38/581922038.db2.gz HWTXBRFODKQYKU-ZDUSSCGKSA-N 2 2 292.445 0.464 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2ccon2)CC1 ZINC000748966898 581993005 /nfs/dbraw/zinc/99/30/05/581993005.db2.gz XECLDUACHMYSEO-UHFFFAOYSA-N 2 2 295.387 0.500 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)CCO1 ZINC000751481402 582083060 /nfs/dbraw/zinc/08/30/60/582083060.db2.gz FGXYVBYODBFTMR-GFCCVEGCSA-N 2 2 292.383 0.836 20 0 CCADLP c1cn(CC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)c[nH+]1 ZINC000095234396 599015058 /nfs/dbraw/zinc/01/50/58/599015058.db2.gz NXWDMTGLHFWOGI-UHFFFAOYSA-N 2 2 269.312 0.853 20 0 CCADLP CC1(C)[C@@H]([NH2+]CCS(C)(=O)=O)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925511707 614868697 /nfs/dbraw/zinc/86/86/97/614868697.db2.gz RTQOFEGRQGNTSG-VWYCJHECSA-N 2 2 260.403 0.397 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCSC[C@@H]1C ZINC000934297305 616967819 /nfs/dbraw/zinc/96/78/19/616967819.db2.gz FLFGMJFOVVIWOI-STQMWFEESA-N 2 2 276.446 0.753 20 0 CCADLP C[C@@H]([NH3+])CN(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000861581179 617174501 /nfs/dbraw/zinc/17/45/01/617174501.db2.gz LKUXVGJZYMCIJA-CHWSQXEVSA-N 3 2 297.447 0.144 20 0 CCADLP C[C@@H]([NH3+])CN(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000861581179 617174503 /nfs/dbraw/zinc/17/45/03/617174503.db2.gz LKUXVGJZYMCIJA-CHWSQXEVSA-N 3 2 297.447 0.144 20 0 CCADLP C[C@@H](O)C[NH2+]C1CCC(N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000963955349 649914534 /nfs/dbraw/zinc/91/45/34/649914534.db2.gz LEFWHGFARVZMQQ-LKSINWNRSA-N 2 2 294.399 0.692 20 0 CCADLP C[C@@H]([NH3+])[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccccc1 ZINC000925544425 617177524 /nfs/dbraw/zinc/17/75/24/617177524.db2.gz RDRYHFHEXFUDBG-TZMCWYRMSA-N 2 2 291.395 0.947 20 0 CCADLP CC(C)[NH2+][C@@H](C)[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC000979311931 613965673 /nfs/dbraw/zinc/96/56/73/613965673.db2.gz STHXDUKQBKELHS-GXTWGEPZSA-N 2 2 294.399 0.956 20 0 CCADLP CC(C)[NH2+][C@@H](C)[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC000979311931 613965676 /nfs/dbraw/zinc/96/56/76/613965676.db2.gz STHXDUKQBKELHS-GXTWGEPZSA-N 2 2 294.399 0.956 20 0 CCADLP CC(C)(CNC(=O)C12CC[NH+](CC1)C2)[NH+]1CCOCC1 ZINC000899959610 614093555 /nfs/dbraw/zinc/09/35/55/614093555.db2.gz YHGXBMTXZCARDZ-UHFFFAOYSA-N 2 2 281.400 0.309 20 0 CCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC000843356156 614182051 /nfs/dbraw/zinc/18/20/51/614182051.db2.gz RZBKARGWMBVEAZ-DGCLKSJQSA-N 2 2 257.378 0.197 20 0 CCADLP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000884206010 614224465 /nfs/dbraw/zinc/22/44/65/614224465.db2.gz KMIZXGOSUFHYST-STQMWFEESA-N 2 2 285.432 0.833 20 0 CCADLP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000884206010 614224468 /nfs/dbraw/zinc/22/44/68/614224468.db2.gz KMIZXGOSUFHYST-STQMWFEESA-N 2 2 285.432 0.833 20 0 CCADLP C(C[NH2+][C@H]1C[NH2+]CCOC1)COCC1CCOCC1 ZINC000925511135 613225232 /nfs/dbraw/zinc/22/52/32/613225232.db2.gz GXRVNTMTIQZRAP-AWEZNQCLSA-N 2 2 272.389 0.398 20 0 CCADLP C/C(=C/C(=O)N1CCC2(C[NH+](C)C2)C1)C[NH+]1CCOCC1 ZINC000907764458 613229509 /nfs/dbraw/zinc/22/95/09/613229509.db2.gz TXDUMHYYWSVQPX-ZROIWOOFSA-N 2 2 293.411 0.429 20 0 CCADLP C/C(=C/C(=O)N1CCC[C@@H]1C[NH+](C)C)C[NH+]1CCOCC1 ZINC000900522780 613230278 /nfs/dbraw/zinc/23/02/78/613230278.db2.gz HSAWYZINGFVAIZ-QKXCFHHRSA-N 2 2 295.427 0.818 20 0 CCADLP C([NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000925831892 613230549 /nfs/dbraw/zinc/23/05/49/613230549.db2.gz MUCZPJABGWFBKU-MRLBHPIUSA-N 2 2 282.384 0.147 20 0 CCADLP C/C(=C/C(=O)N1CC[NH2+][C@H](C(C)C)C1)C[NH+]1CCOCC1 ZINC000912766226 613230773 /nfs/dbraw/zinc/23/07/73/613230773.db2.gz SGWWYDYCXJMPEP-LTBFUDJGSA-N 2 2 295.427 0.721 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC[C@H]([NH2+][C@H]2CCOC2)C1 ZINC000883369832 613233338 /nfs/dbraw/zinc/23/33/38/613233338.db2.gz AHPNCDWOCRUALU-GJZGRUSLSA-N 2 2 283.416 0.162 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC[C@H]([NH2+]C2CSC2)C1 ZINC000895688483 613233400 /nfs/dbraw/zinc/23/34/00/613233400.db2.gz VNCAMGZWPCOBMK-ZDUSSCGKSA-N 2 2 285.457 0.488 20 0 CCADLP C/C(=C\C(=O)N1CCC[C@@H]([NH+](C)C)C1)C[NH+]1CCOCC1 ZINC000900525893 613250164 /nfs/dbraw/zinc/25/01/64/613250164.db2.gz AMMOMUZBNQJZPI-ATGUSINASA-N 2 2 295.427 0.818 20 0 CCADLP C/C(=C\C(=O)NCC[NH+]1CCCCC1)C[NH+]1CCOCC1 ZINC000900207160 613255892 /nfs/dbraw/zinc/25/58/92/613255892.db2.gz NVTIKAQDKVYAQV-FYWRMAATSA-N 2 2 295.427 0.867 20 0 CCADLP CC(=O)N1CCN(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925548302 613415183 /nfs/dbraw/zinc/41/51/83/613415183.db2.gz RVHZJVXCDACEAJ-OAHLLOKOSA-N 2 2 294.443 0.415 20 0 CCADLP CC(=O)NCCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000846878514 613725920 /nfs/dbraw/zinc/72/59/20/613725920.db2.gz SFYGEJZHBMKBQN-UHFFFAOYSA-N 2 2 251.334 0.058 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000864063811 613940257 /nfs/dbraw/zinc/94/02/57/613940257.db2.gz NCHKNDPMDXRGNI-RUXDESIVSA-N 2 2 295.427 0.839 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000864063811 613940260 /nfs/dbraw/zinc/94/02/60/613940260.db2.gz NCHKNDPMDXRGNI-RUXDESIVSA-N 2 2 295.427 0.839 20 0 CCADLP CC(C)(C)N1C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1=O ZINC000925571229 613946675 /nfs/dbraw/zinc/94/66/75/613946675.db2.gz BKEGPDGUZXJFPB-YYQHBFALSA-N 2 2 277.412 0.972 20 0 CCADLP CC(C)(CNC(=O)[C@H](F)[C@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000876710429 614106738 /nfs/dbraw/zinc/10/67/38/614106738.db2.gz KKGQZALPAXLBKY-NWDGAFQWSA-N 2 2 287.379 0.161 20 0 CCADLP CC(C)[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cnn(C)c1 ZINC000886590388 614128941 /nfs/dbraw/zinc/12/89/41/614128941.db2.gz UKNSVCUPAIPXBO-ZIAGYGMSSA-N 2 2 266.389 0.773 20 0 CCADLP CC(C)[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cnn(C)c1 ZINC000886590388 614128943 /nfs/dbraw/zinc/12/89/43/614128943.db2.gz UKNSVCUPAIPXBO-ZIAGYGMSSA-N 2 2 266.389 0.773 20 0 CCADLP CC(C)([NH2+]C[C@H]([NH3+])CC(F)F)C(=O)N1CCCC1 ZINC000903954324 614170160 /nfs/dbraw/zinc/17/01/60/614170160.db2.gz QOYFYABYLIPHEU-SECBINFHSA-N 2 2 263.332 0.960 20 0 CCADLP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)CN1CC[NH+](C)CC1 ZINC000886593542 614225835 /nfs/dbraw/zinc/22/58/35/614225835.db2.gz TWFYQAPRFZYURD-HNNXBMFYSA-N 2 2 296.459 0.423 20 0 CCADLP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)CN1CC[NH+](C)CC1 ZINC000886593542 614225839 /nfs/dbraw/zinc/22/58/39/614225839.db2.gz TWFYQAPRFZYURD-HNNXBMFYSA-N 2 2 296.459 0.423 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCO)[C@H](C)C1 ZINC000935500329 614339649 /nfs/dbraw/zinc/33/96/49/614339649.db2.gz SGMHWVUHMVLQOZ-ZIAGYGMSSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCO)[C@H](C)C1 ZINC000935500329 614339652 /nfs/dbraw/zinc/33/96/52/614339652.db2.gz SGMHWVUHMVLQOZ-ZIAGYGMSSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000935500329 614339655 /nfs/dbraw/zinc/33/96/55/614339655.db2.gz SGMHWVUHMVLQOZ-ZIAGYGMSSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000935500329 614339657 /nfs/dbraw/zinc/33/96/57/614339657.db2.gz SGMHWVUHMVLQOZ-ZIAGYGMSSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H](NC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000867458027 614348954 /nfs/dbraw/zinc/34/89/54/614348954.db2.gz IIJKRKJUUIBCHY-VOKGJARPSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)[N@H+]1CCC[C@H](NC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000867458027 614348956 /nfs/dbraw/zinc/34/89/56/614348956.db2.gz IIJKRKJUUIBCHY-VOKGJARPSA-N 2 2 295.427 0.864 20 0 CCADLP CCC[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@H]1CC[NH2+]C1 ZINC000903716441 614584806 /nfs/dbraw/zinc/58/48/06/614584806.db2.gz NCLZTEIERMUUCZ-SOUVJXGZSA-N 3 2 267.417 0.829 20 0 CCADLP CCC[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@H]1CC[NH2+]C1 ZINC000903716441 614584807 /nfs/dbraw/zinc/58/48/07/614584807.db2.gz NCLZTEIERMUUCZ-SOUVJXGZSA-N 3 2 267.417 0.829 20 0 CCADLP CCN(C(=O)N[C@H](C)C[NH+]1CCN(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000891527263 614605087 /nfs/dbraw/zinc/60/50/87/614605087.db2.gz HMNVPDMOIVTQCL-ZIAGYGMSSA-N 2 2 297.447 0.016 20 0 CCADLP CC1(C)C[N@H+](CCO)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941129766 614659042 /nfs/dbraw/zinc/65/90/42/614659042.db2.gz LVSAGJWCIDBWII-LLVKDONJSA-N 2 2 280.372 0.161 20 0 CCADLP CC1(C)C[N@@H+](CCO)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941129766 614659045 /nfs/dbraw/zinc/65/90/45/614659045.db2.gz LVSAGJWCIDBWII-LLVKDONJSA-N 2 2 280.372 0.161 20 0 CCADLP CC1(C)C[N@H+](CCc2ccc(C(N)=O)cc2)C[C@H]1[NH3+] ZINC000903559793 614669407 /nfs/dbraw/zinc/66/94/07/614669407.db2.gz HYXXOKZMKJVNII-CYBMUJFWSA-N 2 2 261.369 0.997 20 0 CCADLP CC1(C)C[N@@H+](CCc2ccc(C(N)=O)cc2)C[C@H]1[NH3+] ZINC000903559793 614669411 /nfs/dbraw/zinc/66/94/11/614669411.db2.gz HYXXOKZMKJVNII-CYBMUJFWSA-N 2 2 261.369 0.997 20 0 CCADLP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000902364190 614703502 /nfs/dbraw/zinc/70/35/02/614703502.db2.gz PNVUHYPODMWNLS-UONOGXRCSA-N 3 2 269.433 0.811 20 0 CCADLP CCC1([NH+]2CCC2)CC[NH+](CCc2nnnn2C)CC1 ZINC000886720315 614705033 /nfs/dbraw/zinc/70/50/33/614705033.db2.gz ZRFIXKJAAYFPRQ-UHFFFAOYSA-N 2 2 278.404 0.703 20 0 CCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925850167 614807218 /nfs/dbraw/zinc/80/72/18/614807218.db2.gz UFIVANCZMRSGGC-RYUDHWBXSA-N 3 2 281.400 0.402 20 0 CCADLP CCN(C)C(=O)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(C)C ZINC000830863931 614846046 /nfs/dbraw/zinc/84/60/46/614846046.db2.gz MHVLUSUVIKPACO-KGLIPLIRSA-N 2 2 285.432 0.536 20 0 CCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000866193648 614881042 /nfs/dbraw/zinc/88/10/42/614881042.db2.gz OBXBEROXIDMNCE-ZYHUDNBSSA-N 2 2 266.345 0.243 20 0 CCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000866193648 614881043 /nfs/dbraw/zinc/88/10/43/614881043.db2.gz OBXBEROXIDMNCE-ZYHUDNBSSA-N 2 2 266.345 0.243 20 0 CCADLP CCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000970609195 614892574 /nfs/dbraw/zinc/89/25/74/614892574.db2.gz DLEPFOZMHJTHOS-GFCCVEGCSA-N 2 2 264.373 0.953 20 0 CCADLP CC[N@H+](C)[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000971989165 614905955 /nfs/dbraw/zinc/90/59/55/614905955.db2.gz NDVSKFQQQLPFOV-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP CC[N@@H+](C)[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000971989165 614905957 /nfs/dbraw/zinc/90/59/57/614905957.db2.gz NDVSKFQQQLPFOV-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP CC1(NC(=O)/C=C/C[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000876834331 614913953 /nfs/dbraw/zinc/91/39/53/614913953.db2.gz QXHCRBAROPWXEG-NSCUHMNNSA-N 2 2 267.373 0.133 20 0 CCADLP CCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000842478716 614929557 /nfs/dbraw/zinc/92/95/57/614929557.db2.gz NSQAYLAAJUVXPS-YPMHNXCESA-N 2 2 295.387 0.715 20 0 CCADLP CCCOC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000842478716 614929559 /nfs/dbraw/zinc/92/95/59/614929559.db2.gz NSQAYLAAJUVXPS-YPMHNXCESA-N 2 2 295.387 0.715 20 0 CCADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000829508024 614998667 /nfs/dbraw/zinc/99/86/67/614998667.db2.gz BQXZZFBYQDRFRE-ZDUSSCGKSA-N 2 2 294.399 0.912 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)[NH2+]C[C@H](O)c1ccc(F)cn1 ZINC000843102904 615000604 /nfs/dbraw/zinc/00/06/04/615000604.db2.gz HLXNXQTVKKPNMY-ZFWWWQNUSA-N 2 2 299.390 0.937 20 0 CCADLP CC[N@H+](CC[NH3+])C[C@H](O)COc1ccccc1F ZINC000923400450 615047240 /nfs/dbraw/zinc/04/72/40/615047240.db2.gz AXIDDAALZGIAMR-NSHDSACASA-N 2 2 256.321 0.846 20 0 CCADLP CC[N@@H+](CC[NH3+])C[C@H](O)COc1ccccc1F ZINC000923400450 615047242 /nfs/dbraw/zinc/04/72/42/615047242.db2.gz AXIDDAALZGIAMR-NSHDSACASA-N 2 2 256.321 0.846 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886867824 615059753 /nfs/dbraw/zinc/05/97/53/615059753.db2.gz OXWPTWLWIAIELL-SWLSCSKDSA-N 2 2 296.415 0.686 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886867824 615059755 /nfs/dbraw/zinc/05/97/55/615059755.db2.gz OXWPTWLWIAIELL-SWLSCSKDSA-N 2 2 296.415 0.686 20 0 CCADLP CC[NH2+]C1CC2(CC(NC(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000965848230 615074141 /nfs/dbraw/zinc/07/41/41/615074141.db2.gz YXVYPUHIKKMEDU-UHFFFAOYSA-N 2 2 276.384 1.000 20 0 CCADLP CCN1C(=O)[C@@H]2C[N@H+](C[C@@H]3CCCC[NH2+]C3)CCN2C1=O ZINC000903734126 615080102 /nfs/dbraw/zinc/08/01/02/615080102.db2.gz OUURMFPNDKJIKN-OLZOCXBDSA-N 2 2 294.399 0.344 20 0 CCADLP CCN1C(=O)[C@@H]2C[N@@H+](C[C@@H]3CCCC[NH2+]C3)CCN2C1=O ZINC000903734126 615080103 /nfs/dbraw/zinc/08/01/03/615080103.db2.gz OUURMFPNDKJIKN-OLZOCXBDSA-N 2 2 294.399 0.344 20 0 CCADLP CC[NH+]1CCC([N@H+](C)CCc2nnnn2C)CC1 ZINC000878164372 615099883 /nfs/dbraw/zinc/09/98/83/615099883.db2.gz FJDGWCHCPLXNQU-UHFFFAOYSA-N 2 2 252.366 0.169 20 0 CCADLP CC[NH+]1CCC([N@@H+](C)CCc2nnnn2C)CC1 ZINC000878164372 615099884 /nfs/dbraw/zinc/09/98/84/615099884.db2.gz FJDGWCHCPLXNQU-UHFFFAOYSA-N 2 2 252.366 0.169 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCCO)CC1 ZINC000957782904 615110637 /nfs/dbraw/zinc/11/06/37/615110637.db2.gz YKENQVQARLBKJO-CQSZACIVSA-N 2 2 283.416 0.387 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCCO)CC1 ZINC000957782904 615110638 /nfs/dbraw/zinc/11/06/38/615110638.db2.gz YKENQVQARLBKJO-CQSZACIVSA-N 2 2 283.416 0.387 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000862106021 615114167 /nfs/dbraw/zinc/11/41/67/615114167.db2.gz ZDMSLGNGHGGGDN-NRXISQOPSA-N 2 2 295.427 0.840 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000862106021 615114168 /nfs/dbraw/zinc/11/41/68/615114168.db2.gz ZDMSLGNGHGGGDN-NRXISQOPSA-N 2 2 295.427 0.840 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](CF)C2)CC1 ZINC000880290988 615150952 /nfs/dbraw/zinc/15/09/52/615150952.db2.gz AIVZDUNSGJRNTM-OLZOCXBDSA-N 2 2 271.380 0.830 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](CF)C2)CC1 ZINC000880290988 615150953 /nfs/dbraw/zinc/15/09/53/615150953.db2.gz AIVZDUNSGJRNTM-OLZOCXBDSA-N 2 2 271.380 0.830 20 0 CCADLP CC[NH+]1CCN(CCNC(=O)CNc2cccc[nH+]2)CC1 ZINC000900685592 615158369 /nfs/dbraw/zinc/15/83/69/615158369.db2.gz GAUMYCWOHDAHHA-UHFFFAOYSA-N 2 2 291.399 0.247 20 0 CCADLP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925490857 615160509 /nfs/dbraw/zinc/16/05/09/615160509.db2.gz PDJYSOFXFUWODS-PMPSAXMXSA-N 3 2 282.476 0.990 20 0 CCADLP CCOC(=O)C1=CC[C@H]([NH2+][C@H](C)C[C@H]2COCC[NH2+]2)C1 ZINC000863544237 615166357 /nfs/dbraw/zinc/16/63/57/615166357.db2.gz OHLULJDQNUAOMO-XBFCOCLRSA-N 2 2 282.384 0.995 20 0 CCADLP CCOC(=O)C[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923368773 615190371 /nfs/dbraw/zinc/19/03/71/615190371.db2.gz BOVFCOGXNNCBOX-LBPRGKRZSA-N 2 2 268.357 0.392 20 0 CCADLP CCOC(=O)C[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923368773 615190372 /nfs/dbraw/zinc/19/03/72/615190372.db2.gz BOVFCOGXNNCBOX-LBPRGKRZSA-N 2 2 268.357 0.392 20 0 CCADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)C1 ZINC000821254633 615204595 /nfs/dbraw/zinc/20/45/95/615204595.db2.gz NSKFLNZDHGQDAZ-JTQLQIEISA-N 2 2 276.344 0.891 20 0 CCADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)C1 ZINC000821254633 615204598 /nfs/dbraw/zinc/20/45/98/615204598.db2.gz NSKFLNZDHGQDAZ-JTQLQIEISA-N 2 2 276.344 0.891 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000922157652 615239972 /nfs/dbraw/zinc/23/99/72/615239972.db2.gz BBVVGCCFACDALJ-DHCBQETCSA-N 2 2 267.373 0.085 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000922157652 615239975 /nfs/dbraw/zinc/23/99/75/615239975.db2.gz BBVVGCCFACDALJ-DHCBQETCSA-N 2 2 267.373 0.085 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876718109 615254445 /nfs/dbraw/zinc/25/44/45/615254445.db2.gz LIEJIKXZUWGAIH-CHWSQXEVSA-N 2 2 287.379 0.115 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000882489283 615257383 /nfs/dbraw/zinc/25/73/83/615257383.db2.gz PWWBQPDXIQXRLF-NWDGAFQWSA-N 2 2 262.357 0.656 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000882489283 615257385 /nfs/dbraw/zinc/25/73/85/615257385.db2.gz PWWBQPDXIQXRLF-NWDGAFQWSA-N 2 2 262.357 0.656 20 0 CCADLP CCOCCOCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000925873564 615282416 /nfs/dbraw/zinc/28/24/16/615282416.db2.gz BXTYDHKCVMFLPT-KBPBESRZSA-N 2 2 272.389 0.396 20 0 CCADLP CCOC(=O)[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000932637862 615292263 /nfs/dbraw/zinc/29/22/63/615292263.db2.gz DMFSTVGZFLYVGL-CHWSQXEVSA-N 2 2 272.389 0.573 20 0 CCADLP CCOC(=O)[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000932637862 615292264 /nfs/dbraw/zinc/29/22/64/615292264.db2.gz DMFSTVGZFLYVGL-CHWSQXEVSA-N 2 2 272.389 0.573 20 0 CCADLP CCOC(=O)[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000932637862 615292266 /nfs/dbraw/zinc/29/22/66/615292266.db2.gz DMFSTVGZFLYVGL-CHWSQXEVSA-N 2 2 272.389 0.573 20 0 CCADLP CCOC(=O)[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000932637862 615292267 /nfs/dbraw/zinc/29/22/67/615292267.db2.gz DMFSTVGZFLYVGL-CHWSQXEVSA-N 2 2 272.389 0.573 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000922156166 615308680 /nfs/dbraw/zinc/30/86/80/615308680.db2.gz LJJVNXFETNHCPM-UELRPHRMSA-N 2 2 281.400 0.475 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000922156166 615308682 /nfs/dbraw/zinc/30/86/82/615308682.db2.gz LJJVNXFETNHCPM-UELRPHRMSA-N 2 2 281.400 0.475 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC000882487636 615311293 /nfs/dbraw/zinc/31/12/93/615311293.db2.gz XVVSOXIPMZQWDP-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC000882487636 615311295 /nfs/dbraw/zinc/31/12/95/615311295.db2.gz XVVSOXIPMZQWDP-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000890055738 615321226 /nfs/dbraw/zinc/32/12/26/615321226.db2.gz FSBHCHPJVFNHQI-MNOVXSKESA-N 2 2 263.345 0.201 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000890055738 615321228 /nfs/dbraw/zinc/32/12/28/615321228.db2.gz FSBHCHPJVFNHQI-MNOVXSKESA-N 2 2 263.345 0.201 20 0 CCADLP CCON(C)C(=O)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000848919327 615336867 /nfs/dbraw/zinc/33/68/67/615336867.db2.gz JXPGPGNSZXRUOL-CYBMUJFWSA-N 2 2 285.388 0.239 20 0 CCADLP CC[C@@H](C(=O)NCC[NH2+]C)[N@@H+]1CCO[C@H](CC)C1 ZINC000911749220 615380745 /nfs/dbraw/zinc/38/07/45/615380745.db2.gz YVICNYLFGGTQJN-NEPJUHHUSA-N 2 2 257.378 0.211 20 0 CCADLP CC[C@@H](C(=O)NCC[NH2+]C)[N@H+]1CCO[C@H](CC)C1 ZINC000911749220 615380749 /nfs/dbraw/zinc/38/07/49/615380749.db2.gz YVICNYLFGGTQJN-NEPJUHHUSA-N 2 2 257.378 0.211 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1NCC1([NH3+])CCCC1 ZINC000854223563 615388562 /nfs/dbraw/zinc/38/85/62/615388562.db2.gz RZLGQHUFYNNBHX-MNOVXSKESA-N 2 2 255.362 0.141 20 0 CCADLP CCN1C[C@H](C[N@@H+]2CC[C@H](C[NH+](C)C)C2)OC1=O ZINC000846809830 615404526 /nfs/dbraw/zinc/40/45/26/615404526.db2.gz WNOHXHLKPIYIHP-NEPJUHHUSA-N 2 2 255.362 0.711 20 0 CCADLP CCN1C[C@H](C[N@H+]2CC[C@H](C[NH+](C)C)C2)OC1=O ZINC000846809830 615404527 /nfs/dbraw/zinc/40/45/27/615404527.db2.gz WNOHXHLKPIYIHP-NEPJUHHUSA-N 2 2 255.362 0.711 20 0 CCADLP CCO[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C[NH+](C)C ZINC000831730730 615408224 /nfs/dbraw/zinc/40/82/24/615408224.db2.gz HMWUSKDCVNQJDT-OCCSQVGLSA-N 2 2 294.399 0.528 20 0 CCADLP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000960520705 615436417 /nfs/dbraw/zinc/43/64/17/615436417.db2.gz QGFWYVVTHNURAG-ITGUQSILSA-N 2 2 276.384 0.993 20 0 CCADLP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000960520705 615436419 /nfs/dbraw/zinc/43/64/19/615436419.db2.gz QGFWYVVTHNURAG-ITGUQSILSA-N 2 2 276.384 0.993 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)Nc1cc(C)[nH+]c(N)n1 ZINC000895799676 615480410 /nfs/dbraw/zinc/48/04/10/615480410.db2.gz SZCVIQZGKBVFPR-NSHDSACASA-N 2 2 265.361 0.890 20 0 CCADLP CCO[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C[NH+](C)C ZINC000831713801 615482743 /nfs/dbraw/zinc/48/27/43/615482743.db2.gz PKATWRQHKJXHBU-CHWSQXEVSA-N 2 2 294.399 0.528 20 0 CCADLP CC[C@@H]1CN(C(=O)NC[C@@H]2CC[NH+]2C)CC[N@@H+]1CCOC ZINC000925406364 615558946 /nfs/dbraw/zinc/55/89/46/615558946.db2.gz MNOFBPAZQWBYOK-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@@H]1CN(C(=O)NC[C@@H]2CC[NH+]2C)CC[N@H+]1CCOC ZINC000925406364 615558947 /nfs/dbraw/zinc/55/89/47/615558947.db2.gz MNOFBPAZQWBYOK-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C)CC[NH+]1CCOC ZINC000925406364 615558948 /nfs/dbraw/zinc/55/89/48/615558948.db2.gz MNOFBPAZQWBYOK-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C)CC[NH+]1CCOC ZINC000925406364 615558949 /nfs/dbraw/zinc/55/89/49/615558949.db2.gz MNOFBPAZQWBYOK-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000877432713 615568328 /nfs/dbraw/zinc/56/83/28/615568328.db2.gz FXCJGJLHXCFKNW-KGLIPLIRSA-N 2 2 297.443 0.992 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000877432713 615568329 /nfs/dbraw/zinc/56/83/29/615568329.db2.gz FXCJGJLHXCFKNW-KGLIPLIRSA-N 2 2 297.443 0.992 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000877432270 615568340 /nfs/dbraw/zinc/56/83/40/615568340.db2.gz BUPPKBHJAUGCIB-HIFRSBDPSA-N 2 2 283.416 0.603 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000877432270 615568341 /nfs/dbraw/zinc/56/83/41/615568341.db2.gz BUPPKBHJAUGCIB-HIFRSBDPSA-N 2 2 283.416 0.603 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000877435261 615568401 /nfs/dbraw/zinc/56/84/01/615568401.db2.gz ZOXOZMMWLFLREH-JHJVBQTASA-N 2 2 269.389 0.211 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000877435261 615568402 /nfs/dbraw/zinc/56/84/02/615568402.db2.gz ZOXOZMMWLFLREH-JHJVBQTASA-N 2 2 269.389 0.211 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=S)NCC[NH+](C)C ZINC000871688533 615569491 /nfs/dbraw/zinc/56/94/91/615569491.db2.gz MQBDEUCWQVJXIR-GFCCVEGCSA-N 2 2 288.461 0.123 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=S)NCC[NH+](C)C ZINC000871688533 615569492 /nfs/dbraw/zinc/56/94/92/615569492.db2.gz MQBDEUCWQVJXIR-GFCCVEGCSA-N 2 2 288.461 0.123 20 0 CCADLP CC[C@H](C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC000615548153 615600913 /nfs/dbraw/zinc/60/09/13/615600913.db2.gz SRCIWFQXWPXFCK-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CCc1cc(NC[C@H](O)C[NH+](C)C)nc(CC)[nH+]1 ZINC000891745214 615658641 /nfs/dbraw/zinc/65/86/41/615658641.db2.gz GEEXVQYNJVZWQB-NSHDSACASA-N 2 2 252.362 0.936 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)Nc1nc(N)cc(C)[nH+]1 ZINC000895800358 615720403 /nfs/dbraw/zinc/72/04/03/615720403.db2.gz AYICALSBSQYMJP-LLVKDONJSA-N 2 2 265.361 0.890 20 0 CCADLP CC[C@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1)OC ZINC000961896383 615721874 /nfs/dbraw/zinc/72/18/74/615721874.db2.gz UNGOMJZHOXIGIZ-CXTNEJHOSA-N 2 2 292.383 0.424 20 0 CCADLP CC[C@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1)OC ZINC000961896383 615721877 /nfs/dbraw/zinc/72/18/77/615721877.db2.gz UNGOMJZHOXIGIZ-CXTNEJHOSA-N 2 2 292.383 0.424 20 0 CCADLP CC[C@H]([NH2+]C[C@H](O)c1ccnn1C)[C@@H]1CCC[NH2+]1 ZINC000925889532 615818993 /nfs/dbraw/zinc/81/89/93/615818993.db2.gz KLZXBXRWUBZSAQ-GVXVVHGQSA-N 2 2 252.362 0.574 20 0 CCADLP CC[C@H](O)[C@@H](C)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000900693337 615830677 /nfs/dbraw/zinc/83/06/77/615830677.db2.gz PSNVIWLNUCRNCW-HIFRSBDPSA-N 2 2 299.459 0.878 20 0 CCADLP CC[C@H](O)[C@@H](C)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000900693337 615830679 /nfs/dbraw/zinc/83/06/79/615830679.db2.gz PSNVIWLNUCRNCW-HIFRSBDPSA-N 2 2 299.459 0.878 20 0 CCADLP CN(C)S(=O)(=O)CCC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931350298 615846305 /nfs/dbraw/zinc/84/63/05/615846305.db2.gz IRHBHBPIDLIYFG-UHFFFAOYSA-N 2 2 291.461 0.684 20 0 CCADLP C[NH+](C)CC[C@](C)(O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000898068473 615914255 /nfs/dbraw/zinc/91/42/55/615914255.db2.gz NQIXYGZKMOUECN-HNNXBMFYSA-N 2 2 290.367 0.995 20 0 CCADLP CC[C@@H](C(=O)N1CC[NH2+]CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000911647002 615917199 /nfs/dbraw/zinc/91/71/99/615917199.db2.gz KQPZLUZJMJIOJJ-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP CC[C@@H](C(=O)N1CC[NH2+]CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000911647002 615917201 /nfs/dbraw/zinc/91/72/01/615917201.db2.gz KQPZLUZJMJIOJJ-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP C[NH+](C)CCn1nccc1C(=O)NCCn1cc[nH+]c1 ZINC000900193407 615920827 /nfs/dbraw/zinc/92/08/27/615920827.db2.gz JNWAKNFTDBSWFJ-UHFFFAOYSA-N 2 2 276.344 0.071 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1CC[NH+]1CC ZINC000890055623 615925136 /nfs/dbraw/zinc/92/51/36/615925136.db2.gz CAFMAEIREUVMQH-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1CC[NH+]1CC ZINC000890055623 615925139 /nfs/dbraw/zinc/92/51/39/615925139.db2.gz CAFMAEIREUVMQH-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CC[N@@H+]1CC ZINC000890055623 615925142 /nfs/dbraw/zinc/92/51/42/615925142.db2.gz CAFMAEIREUVMQH-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CC[N@H+]1CC ZINC000890055623 615925146 /nfs/dbraw/zinc/92/51/46/615925146.db2.gz CAFMAEIREUVMQH-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H](C(=O)NCC[N@@H+]1CCOC[C@@H]1CC)[NH+](C)C ZINC000874704730 615926397 /nfs/dbraw/zinc/92/63/97/615926397.db2.gz MMDLPYYXWHIVEM-QWHCGFSZSA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@H](C(=O)NCC[N@H+]1CCOC[C@@H]1CC)[NH+](C)C ZINC000874704730 615926398 /nfs/dbraw/zinc/92/63/98/615926398.db2.gz MMDLPYYXWHIVEM-QWHCGFSZSA-N 2 2 271.405 0.554 20 0 CCADLP C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935051539 615936149 /nfs/dbraw/zinc/93/61/49/615936149.db2.gz KYPRHQGAJVYIOG-AWEZNQCLSA-N 2 2 276.340 0.605 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858153988 615936340 /nfs/dbraw/zinc/93/63/40/615936340.db2.gz WOLLZRPTIJZWRS-OCCSQVGLSA-N 3 2 257.422 0.761 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858153988 615936343 /nfs/dbraw/zinc/93/63/43/615936343.db2.gz WOLLZRPTIJZWRS-OCCSQVGLSA-N 3 2 257.422 0.761 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cn2ccnc2s1 ZINC000893179361 615951665 /nfs/dbraw/zinc/95/16/65/615951665.db2.gz PTSHZUISTMHCOC-GFCCVEGCSA-N 2 2 268.386 0.798 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cccc2[nH]c(=O)oc21 ZINC000921930785 615951696 /nfs/dbraw/zinc/95/16/96/615951696.db2.gz QOJIYRNXVDSXDD-CQSZACIVSA-N 2 2 279.340 0.936 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)/C=C/C[NH+]1CCOCC1)C1CC1 ZINC000864939652 615973608 /nfs/dbraw/zinc/97/36/08/615973608.db2.gz FGKJLQKUYMJVJT-XGACYXMMSA-N 2 2 281.400 0.331 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)Cc1[nH]cc[nH+]1 ZINC000830752975 615980531 /nfs/dbraw/zinc/98/05/31/615980531.db2.gz GAXDDMSXRPVJLQ-UPJWGTAASA-N 2 2 292.383 0.662 20 0 CCADLP CC[S@](=O)CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000848531973 616016979 /nfs/dbraw/zinc/01/69/79/616016979.db2.gz YMFVNNVIRVIJFI-LIRRHRJNSA-N 2 2 288.457 0.988 20 0 CCADLP CN(C)c1cc[nH+]c(CNC(=O)Cn2cc[nH+]c2)c1 ZINC000927697213 616026734 /nfs/dbraw/zinc/02/67/34/616026734.db2.gz HBLROHUZDHLDCP-UHFFFAOYSA-N 2 2 259.313 0.661 20 0 CCADLP C[N@H+](CC(=O)OCC[NH+]1CCC1)[C@H]1CCSC1 ZINC000861389512 616050369 /nfs/dbraw/zinc/05/03/69/616050369.db2.gz OHSHJYJPTGRKRR-NSHDSACASA-N 2 2 258.387 0.673 20 0 CCADLP C[N@@H+](CC(=O)OCC[NH+]1CCC1)[C@H]1CCSC1 ZINC000861389512 616050370 /nfs/dbraw/zinc/05/03/70/616050370.db2.gz OHSHJYJPTGRKRR-NSHDSACASA-N 2 2 258.387 0.673 20 0 CCADLP C[N@H+](CCCCNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000854900590 616072556 /nfs/dbraw/zinc/07/25/56/616072556.db2.gz QRTMWEZFKAVBHQ-UHFFFAOYSA-N 2 2 250.346 0.943 20 0 CCADLP C[N@@H+](CCCCNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC000854900590 616072557 /nfs/dbraw/zinc/07/25/57/616072557.db2.gz QRTMWEZFKAVBHQ-UHFFFAOYSA-N 2 2 250.346 0.943 20 0 CCADLP C[N@H+](CCC[NH+]1CCCC1)[C@H]1CCC(=O)NC1=O ZINC000799175431 616074581 /nfs/dbraw/zinc/07/45/81/616074581.db2.gz YJESRCZTCSWAMP-NSHDSACASA-N 2 2 253.346 0.209 20 0 CCADLP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CCC(=O)NC1=O ZINC000799175431 616074582 /nfs/dbraw/zinc/07/45/82/616074582.db2.gz YJESRCZTCSWAMP-NSHDSACASA-N 2 2 253.346 0.209 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H]1CCCS1(=O)=O ZINC000930123999 616076756 /nfs/dbraw/zinc/07/67/56/616076756.db2.gz DTBTVQRHKGIOHX-GFCCVEGCSA-N 2 2 271.386 0.782 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H]1CCCS1(=O)=O ZINC000930123999 616076757 /nfs/dbraw/zinc/07/67/57/616076757.db2.gz DTBTVQRHKGIOHX-GFCCVEGCSA-N 2 2 271.386 0.782 20 0 CCADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1cc(C(F)(F)F)n[nH]1 ZINC000843053326 616088598 /nfs/dbraw/zinc/08/85/98/616088598.db2.gz WEAIBDHPMFSAEU-UHFFFAOYSA-N 2 2 291.321 0.766 20 0 CCADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cc(C(F)(F)F)n[nH]1 ZINC000843053326 616088599 /nfs/dbraw/zinc/08/85/99/616088599.db2.gz WEAIBDHPMFSAEU-UHFFFAOYSA-N 2 2 291.321 0.766 20 0 CCADLP Cn1cc(C[N@H+](C)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)nn1 ZINC000903767399 616091263 /nfs/dbraw/zinc/09/12/63/616091263.db2.gz WMYBYVLYFYZEFX-QWHCGFSZSA-N 2 2 265.361 0.016 20 0 CCADLP Cn1cc(C[N@@H+](C)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)nn1 ZINC000903767399 616091264 /nfs/dbraw/zinc/09/12/64/616091264.db2.gz WMYBYVLYFYZEFX-QWHCGFSZSA-N 2 2 265.361 0.016 20 0 CCADLP C[N@H+](CCNc1nccn2c[nH+]cc12)CCOCCO ZINC000895155177 616097460 /nfs/dbraw/zinc/09/74/60/616097460.db2.gz DNDCWXCDSUZPTK-UHFFFAOYSA-N 2 2 279.344 0.082 20 0 CCADLP C[N@H+](CCO)CCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000887801803 616104157 /nfs/dbraw/zinc/10/41/57/616104157.db2.gz VACHLLPIKDRURO-UHFFFAOYSA-N 2 2 277.328 0.380 20 0 CCADLP C[N@@H+](CCO)CCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000887801803 616104158 /nfs/dbraw/zinc/10/41/58/616104158.db2.gz VACHLLPIKDRURO-UHFFFAOYSA-N 2 2 277.328 0.380 20 0 CCADLP C[N@H+](CCO)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000829756857 616105997 /nfs/dbraw/zinc/10/59/97/616105997.db2.gz YWQTYOFWFNILBE-UHFFFAOYSA-N 2 2 262.313 0.217 20 0 CCADLP C[N@@H+](CCO)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000829756857 616105999 /nfs/dbraw/zinc/10/59/99/616105999.db2.gz YWQTYOFWFNILBE-UHFFFAOYSA-N 2 2 262.313 0.217 20 0 CCADLP CN1CC[C@@H]1C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000905550972 616170026 /nfs/dbraw/zinc/17/00/26/616170026.db2.gz HTDGSPYGFYZNCU-HZPDHXFCSA-N 2 2 277.412 0.773 20 0 CCADLP CN1CC[C@@H]1C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000905550972 616170027 /nfs/dbraw/zinc/17/00/27/616170027.db2.gz HTDGSPYGFYZNCU-HZPDHXFCSA-N 2 2 277.412 0.773 20 0 CCADLP CN(C(=O)OC1COC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000902861792 616172263 /nfs/dbraw/zinc/17/22/63/616172263.db2.gz RSLYCWBARBSKRQ-ZDUSSCGKSA-N 2 2 297.399 0.622 20 0 CCADLP CN(C(=O)OC1COC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000902861792 616172265 /nfs/dbraw/zinc/17/22/65/616172265.db2.gz RSLYCWBARBSKRQ-ZDUSSCGKSA-N 2 2 297.399 0.622 20 0 CCADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000878531241 616173249 /nfs/dbraw/zinc/17/32/49/616173249.db2.gz IQCRVENOMPUOEX-CQSZACIVSA-N 2 2 297.443 0.944 20 0 CCADLP C[NH+]1CCC(NC(=O)C[N@H+]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000878531241 616173250 /nfs/dbraw/zinc/17/32/50/616173250.db2.gz IQCRVENOMPUOEX-CQSZACIVSA-N 2 2 297.443 0.944 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000880502830 616194398 /nfs/dbraw/zinc/19/43/98/616194398.db2.gz UVHPZXXRHYUSHV-MCIONIFRSA-N 2 2 295.427 0.696 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000880502830 616194399 /nfs/dbraw/zinc/19/43/99/616194399.db2.gz UVHPZXXRHYUSHV-MCIONIFRSA-N 2 2 295.427 0.696 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1CS(N)(=O)=O ZINC000931229040 616195267 /nfs/dbraw/zinc/19/52/67/616195267.db2.gz JEESATIGAPTFBI-CHWSQXEVSA-N 2 2 289.445 0.614 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1CS(N)(=O)=O ZINC000931229040 616195268 /nfs/dbraw/zinc/19/52/68/616195268.db2.gz JEESATIGAPTFBI-CHWSQXEVSA-N 2 2 289.445 0.614 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@@H]1CS(N)(=O)=O ZINC000931229040 616195269 /nfs/dbraw/zinc/19/52/69/616195269.db2.gz JEESATIGAPTFBI-CHWSQXEVSA-N 2 2 289.445 0.614 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@@H]1CS(N)(=O)=O ZINC000931229040 616195270 /nfs/dbraw/zinc/19/52/70/616195270.db2.gz JEESATIGAPTFBI-CHWSQXEVSA-N 2 2 289.445 0.614 20 0 CCADLP C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000907527378 616202585 /nfs/dbraw/zinc/20/25/85/616202585.db2.gz FISHOGSFYGQRFA-SWLSCSKDSA-N 2 2 292.383 0.161 20 0 CCADLP C[N@H+]1CCC[C@@](O)(CC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000907527378 616202586 /nfs/dbraw/zinc/20/25/86/616202586.db2.gz FISHOGSFYGQRFA-SWLSCSKDSA-N 2 2 292.383 0.161 20 0 CCADLP C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000854659735 616202913 /nfs/dbraw/zinc/20/29/13/616202913.db2.gz QIGBLTZKFXUZLC-CQSZACIVSA-N 2 2 262.357 0.897 20 0 CCADLP C[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000854659735 616202914 /nfs/dbraw/zinc/20/29/14/616202914.db2.gz QIGBLTZKFXUZLC-CQSZACIVSA-N 2 2 262.357 0.897 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1C2CCC1(C(N)=O)CC2 ZINC000932936089 616213415 /nfs/dbraw/zinc/21/34/15/616213415.db2.gz FKFNKXXOMZWPNW-DCBWTQNWSA-N 2 2 251.374 0.953 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH+]1C2CCC1(C(N)=O)CC2 ZINC000932936089 616213416 /nfs/dbraw/zinc/21/34/16/616213416.db2.gz FKFNKXXOMZWPNW-DCBWTQNWSA-N 2 2 251.374 0.953 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1C2CCC1(C(N)=O)CC2 ZINC000932936089 616213417 /nfs/dbraw/zinc/21/34/17/616213417.db2.gz FKFNKXXOMZWPNW-DCBWTQNWSA-N 2 2 251.374 0.953 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@H+]1C2CCC1(C(N)=O)CC2 ZINC000932936089 616213418 /nfs/dbraw/zinc/21/34/18/616213418.db2.gz FKFNKXXOMZWPNW-DCBWTQNWSA-N 2 2 251.374 0.953 20 0 CCADLP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)NCCn1cc[nH+]c1 ZINC000891558791 616215986 /nfs/dbraw/zinc/21/59/86/616215986.db2.gz VPYHKFPFCDLZIY-STQMWFEESA-N 2 2 277.372 0.761 20 0 CCADLP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)NCCn1cc[nH+]c1 ZINC000891558791 616215987 /nfs/dbraw/zinc/21/59/87/616215987.db2.gz VPYHKFPFCDLZIY-STQMWFEESA-N 2 2 277.372 0.761 20 0 CCADLP C[N@@H+]1CCC[C@](O)(CC(=O)NCCCCn2cc[nH+]c2)C1 ZINC000900695131 616218310 /nfs/dbraw/zinc/21/83/10/616218310.db2.gz LWDODLWUMSGDCB-HNNXBMFYSA-N 2 2 294.399 0.626 20 0 CCADLP C[N@H+]1CCC[C@](O)(CC(=O)NCCCCn2cc[nH+]c2)C1 ZINC000900695131 616218311 /nfs/dbraw/zinc/21/83/11/616218311.db2.gz LWDODLWUMSGDCB-HNNXBMFYSA-N 2 2 294.399 0.626 20 0 CCADLP C[NH+]1CCN(c2ccnc(-c3noc(C[NH3+])n3)c2)CC1 ZINC000822981244 616247402 /nfs/dbraw/zinc/24/74/02/616247402.db2.gz ZPAMBTSGWPTMIM-UHFFFAOYSA-N 2 2 274.328 0.342 20 0 CCADLP CN(C)c1cc[nH+]c(CNC(=O)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000927700227 616259484 /nfs/dbraw/zinc/25/94/84/616259484.db2.gz HGJAZOOGZSHVEW-ZDUSSCGKSA-N 2 2 278.356 0.094 20 0 CCADLP CN(C)c1cc[nH+]c(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000927700227 616259485 /nfs/dbraw/zinc/25/94/85/616259485.db2.gz HGJAZOOGZSHVEW-ZDUSSCGKSA-N 2 2 278.356 0.094 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3csnn3)C2)C1 ZINC000970713460 616265082 /nfs/dbraw/zinc/26/50/82/616265082.db2.gz YDGZZTMBSVTQIS-GHMZBOCLSA-N 2 2 295.412 0.180 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3csnn3)C2)C1 ZINC000970713460 616265083 /nfs/dbraw/zinc/26/50/83/616265083.db2.gz YDGZZTMBSVTQIS-GHMZBOCLSA-N 2 2 295.412 0.180 20 0 CCADLP C[N@@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000925393813 616290645 /nfs/dbraw/zinc/29/06/45/616290645.db2.gz KDMDXGDVPMMFIZ-KGLIPLIRSA-N 2 2 296.415 0.197 20 0 CCADLP C[N@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000925393813 616290647 /nfs/dbraw/zinc/29/06/47/616290647.db2.gz KDMDXGDVPMMFIZ-KGLIPLIRSA-N 2 2 296.415 0.197 20 0 CCADLP COC(=O)/C(C)=C/C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000905531885 616291446 /nfs/dbraw/zinc/29/14/46/616291446.db2.gz NWJSFZCCMYTTCJ-JVOXIWMLSA-N 2 2 256.346 0.152 20 0 CCADLP COC(=O)[C@@H]1CC[N@H+](C[C@@H]([NH3+])CC(F)F)[C@H]1C ZINC000903916243 616308139 /nfs/dbraw/zinc/30/81/39/616308139.db2.gz RUAMHBZQAPZCDL-XHNCKOQMSA-N 2 2 250.289 0.852 20 0 CCADLP COC(=O)[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CC(F)F)[C@H]1C ZINC000903916243 616308144 /nfs/dbraw/zinc/30/81/44/616308144.db2.gz RUAMHBZQAPZCDL-XHNCKOQMSA-N 2 2 250.289 0.852 20 0 CCADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000900705954 616316042 /nfs/dbraw/zinc/31/60/42/616316042.db2.gz AWIYEBCMVLSHCH-ZFWWWQNUSA-N 2 2 281.400 0.138 20 0 CCADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000900705954 616316047 /nfs/dbraw/zinc/31/60/47/616316047.db2.gz AWIYEBCMVLSHCH-ZFWWWQNUSA-N 2 2 281.400 0.138 20 0 CCADLP C[N@@H+]1CC[C@@H]2C[NH+](CCN3CCOC3=O)CC[C@@H]21 ZINC000879572510 616333697 /nfs/dbraw/zinc/33/36/97/616333697.db2.gz YKETXSMCOZBUMC-NEPJUHHUSA-N 2 2 253.346 0.465 20 0 CCADLP C[N@H+]1CC[C@@H]2C[NH+](CCN3CCOC3=O)CC[C@@H]21 ZINC000879572510 616333704 /nfs/dbraw/zinc/33/37/04/616333704.db2.gz YKETXSMCOZBUMC-NEPJUHHUSA-N 2 2 253.346 0.465 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@H+](CCN3CCOC3=O)CC[C@@H]21 ZINC000879572510 616333706 /nfs/dbraw/zinc/33/37/06/616333706.db2.gz YKETXSMCOZBUMC-NEPJUHHUSA-N 2 2 253.346 0.465 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@@H+](CCN3CCOC3=O)CC[C@@H]21 ZINC000879572510 616333711 /nfs/dbraw/zinc/33/37/11/616333711.db2.gz YKETXSMCOZBUMC-NEPJUHHUSA-N 2 2 253.346 0.465 20 0 CCADLP C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000913532716 616365293 /nfs/dbraw/zinc/36/52/93/616365293.db2.gz SBZUAGZXCYWROB-MJBXVCDLSA-N 2 2 279.384 0.012 20 0 CCADLP C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000913532716 616365297 /nfs/dbraw/zinc/36/52/97/616365297.db2.gz SBZUAGZXCYWROB-MJBXVCDLSA-N 2 2 279.384 0.012 20 0 CCADLP C[NH+]1C[C@@H]2C[N@H+](CCCOC(=O)NC(N)=O)C[C@]2(C)C1 ZINC000933737182 616382908 /nfs/dbraw/zinc/38/29/08/616382908.db2.gz LFBWYOCXSLBQCM-MFKMUULPSA-N 2 2 284.360 0.065 20 0 CCADLP C[NH+]1C[C@@H]2C[N@@H+](CCCOC(=O)NC(N)=O)C[C@]2(C)C1 ZINC000933737182 616382911 /nfs/dbraw/zinc/38/29/11/616382911.db2.gz LFBWYOCXSLBQCM-MFKMUULPSA-N 2 2 284.360 0.065 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903752286 616394194 /nfs/dbraw/zinc/39/41/94/616394194.db2.gz MFSPEDKQIBWKMJ-OLZOCXBDSA-N 2 2 298.383 0.019 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903752286 616394199 /nfs/dbraw/zinc/39/41/99/616394199.db2.gz MFSPEDKQIBWKMJ-OLZOCXBDSA-N 2 2 298.383 0.019 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC000947981310 616415214 /nfs/dbraw/zinc/41/52/14/616415214.db2.gz VFMSJSFVZLJPOY-YPMHNXCESA-N 2 2 294.399 0.876 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC000947981310 616415215 /nfs/dbraw/zinc/41/52/15/616415215.db2.gz VFMSJSFVZLJPOY-YPMHNXCESA-N 2 2 294.399 0.876 20 0 CCADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2CN2CCOC2=S)C1 ZINC000129268707 616449875 /nfs/dbraw/zinc/44/98/75/616449875.db2.gz NTMYPSCSASJIND-NEPJUHHUSA-N 2 2 269.414 0.977 20 0 CCADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2CN2CCOC2=S)C1 ZINC000129268707 616449877 /nfs/dbraw/zinc/44/98/77/616449877.db2.gz NTMYPSCSASJIND-NEPJUHHUSA-N 2 2 269.414 0.977 20 0 CCADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2CN2CCOC2=S)C1 ZINC000129268707 616449880 /nfs/dbraw/zinc/44/98/80/616449880.db2.gz NTMYPSCSASJIND-NEPJUHHUSA-N 2 2 269.414 0.977 20 0 CCADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2CN2CCOC2=S)C1 ZINC000129268707 616449882 /nfs/dbraw/zinc/44/98/82/616449882.db2.gz NTMYPSCSASJIND-NEPJUHHUSA-N 2 2 269.414 0.977 20 0 CCADLP COCC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000977642580 616453973 /nfs/dbraw/zinc/45/39/73/616453973.db2.gz GVXSETFEGZTGSX-LBPRGKRZSA-N 2 2 280.372 0.356 20 0 CCADLP COCC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000977642580 616453975 /nfs/dbraw/zinc/45/39/75/616453975.db2.gz GVXSETFEGZTGSX-LBPRGKRZSA-N 2 2 280.372 0.356 20 0 CCADLP COCC[N@H+]1[C@H](C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC000911533108 616476798 /nfs/dbraw/zinc/47/67/98/616476798.db2.gz GRRHZXFWSKYOMS-TXEJJXNPSA-N 2 2 280.372 0.520 20 0 CCADLP COCC[N@@H+]1[C@H](C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC000911533108 616476799 /nfs/dbraw/zinc/47/67/99/616476799.db2.gz GRRHZXFWSKYOMS-TXEJJXNPSA-N 2 2 280.372 0.520 20 0 CCADLP COCC[NH2+]CC(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000844187805 616507668 /nfs/dbraw/zinc/50/76/68/616507668.db2.gz LNEDGOSVAHXATB-UHFFFAOYSA-N 2 2 293.358 0.410 20 0 CCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)C[C@H]1COCC[NH2+]1 ZINC000867998981 616515422 /nfs/dbraw/zinc/51/54/22/616515422.db2.gz NYDBTNXWQLRJPS-ZFWWWQNUSA-N 2 2 289.379 0.668 20 0 CCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)C[C@H]1COCC[NH2+]1 ZINC000867998981 616515425 /nfs/dbraw/zinc/51/54/25/616515425.db2.gz NYDBTNXWQLRJPS-ZFWWWQNUSA-N 2 2 289.379 0.668 20 0 CCADLP COCCOC[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923531675 616560386 /nfs/dbraw/zinc/56/03/86/616560386.db2.gz VIOLCXJWKZDXPF-UONOGXRCSA-N 2 2 272.389 0.228 20 0 CCADLP COCCOC[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923531675 616560389 /nfs/dbraw/zinc/56/03/89/616560389.db2.gz VIOLCXJWKZDXPF-UONOGXRCSA-N 2 2 272.389 0.228 20 0 CCADLP COCC[C@H]([NH3+])C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000884200231 616675806 /nfs/dbraw/zinc/67/58/06/616675806.db2.gz XHRDUDNUZXOXFM-AWEZNQCLSA-N 2 2 277.368 0.482 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886865876 616709564 /nfs/dbraw/zinc/70/95/64/616709564.db2.gz WZMPZKBGIYDPEG-SMDDNHRTSA-N 2 2 282.388 0.296 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886865876 616709567 /nfs/dbraw/zinc/70/95/67/616709567.db2.gz WZMPZKBGIYDPEG-SMDDNHRTSA-N 2 2 282.388 0.296 20 0 CCADLP CO[C@@H]1COCC[C@@H]1[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000880437361 616798819 /nfs/dbraw/zinc/79/88/19/616798819.db2.gz JTBBXUAILIQBNT-MELADBBJSA-N 2 2 272.389 0.177 20 0 CCADLP CO[C@@H]1COCC[C@@H]1[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000880437361 616798822 /nfs/dbraw/zinc/79/88/22/616798822.db2.gz JTBBXUAILIQBNT-MELADBBJSA-N 2 2 272.389 0.177 20 0 CCADLP CO[C@@H]1COCC[C@@H]1[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000880437361 616798825 /nfs/dbraw/zinc/79/88/25/616798825.db2.gz JTBBXUAILIQBNT-MELADBBJSA-N 2 2 272.389 0.177 20 0 CCADLP CO[C@@H]1COCC[C@@H]1[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000880437361 616798827 /nfs/dbraw/zinc/79/88/27/616798827.db2.gz JTBBXUAILIQBNT-MELADBBJSA-N 2 2 272.389 0.177 20 0 CCADLP COC[C@@H](C)[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000977641390 616813317 /nfs/dbraw/zinc/81/33/17/616813317.db2.gz DHJJBEJRWXGLIH-OLZOCXBDSA-N 2 2 294.399 0.745 20 0 CCADLP COC[C@@H](C)[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000977641390 616813322 /nfs/dbraw/zinc/81/33/22/616813322.db2.gz DHJJBEJRWXGLIH-OLZOCXBDSA-N 2 2 294.399 0.745 20 0 CCADLP COC[C@@H](CCC[NH3+])[N@@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925750639 616843996 /nfs/dbraw/zinc/84/39/96/616843996.db2.gz SZPXMQSORYDQIU-SNVBAGLBSA-N 3 2 284.429 0.714 20 0 CCADLP COC[C@@H](CCC[NH3+])[N@H+]1CCc2sc(C[NH3+])nc2C1 ZINC000925750639 616844000 /nfs/dbraw/zinc/84/40/00/616844000.db2.gz SZPXMQSORYDQIU-SNVBAGLBSA-N 3 2 284.429 0.714 20 0 CCADLP C[NH2+]CC1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000911779018 616937696 /nfs/dbraw/zinc/93/76/96/616937696.db2.gz XYKVIFHSTNDPFF-ZDUSSCGKSA-N 2 2 276.384 0.904 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000846791665 616967627 /nfs/dbraw/zinc/96/76/27/616967627.db2.gz FAPADGSARWYDMP-HNNXBMFYSA-N 2 2 296.415 0.528 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000846791665 616967630 /nfs/dbraw/zinc/96/76/30/616967630.db2.gz FAPADGSARWYDMP-HNNXBMFYSA-N 2 2 296.415 0.528 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCSC[C@@H]1C ZINC000934297305 616967809 /nfs/dbraw/zinc/96/78/09/616967809.db2.gz FLFGMJFOVVIWOI-STQMWFEESA-N 2 2 276.446 0.753 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCSC[C@@H]1C ZINC000934297305 616967813 /nfs/dbraw/zinc/96/78/13/616967813.db2.gz FLFGMJFOVVIWOI-STQMWFEESA-N 2 2 276.446 0.753 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCSC[C@@H]1C ZINC000934297305 616967816 /nfs/dbraw/zinc/96/78/16/616967816.db2.gz FLFGMJFOVVIWOI-STQMWFEESA-N 2 2 276.446 0.753 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000883447419 616987964 /nfs/dbraw/zinc/98/79/64/616987964.db2.gz BKCKNQJODNDHTP-DZGCQCFKSA-N 3 2 278.400 0.563 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000883447419 616987968 /nfs/dbraw/zinc/98/79/68/616987968.db2.gz BKCKNQJODNDHTP-DZGCQCFKSA-N 3 2 278.400 0.563 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000883447422 617001608 /nfs/dbraw/zinc/00/16/08/617001608.db2.gz BKCKNQJODNDHTP-ZFWWWQNUSA-N 3 2 278.400 0.563 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000883447422 617001615 /nfs/dbraw/zinc/00/16/15/617001615.db2.gz BKCKNQJODNDHTP-ZFWWWQNUSA-N 3 2 278.400 0.563 20 0 CCADLP CON(C)C(=O)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000895043253 617039311 /nfs/dbraw/zinc/03/93/11/617039311.db2.gz TVMWACULUMQWTM-UHFFFAOYSA-N 2 2 252.318 0.257 20 0 CCADLP CNc1cc(N2CC[NH+](C[C@@H]3CCOC3)CC2)nc[nH+]1 ZINC000892836887 617058448 /nfs/dbraw/zinc/05/84/48/617058448.db2.gz SIZTXEBRMCFDPF-LBPRGKRZSA-N 2 2 277.372 0.677 20 0 CCADLP CON1CC[C@H]([N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1=O ZINC000930095561 617099664 /nfs/dbraw/zinc/09/96/64/617099664.db2.gz YIFIWHOSQJCABZ-QWRGUYRKSA-N 2 2 264.329 0.372 20 0 CCADLP CON1CC[C@H]([N@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1=O ZINC000930095561 617099666 /nfs/dbraw/zinc/09/96/66/617099666.db2.gz YIFIWHOSQJCABZ-QWRGUYRKSA-N 2 2 264.329 0.372 20 0 CCADLP CO[C@H]1CC[C@@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000879355274 617102769 /nfs/dbraw/zinc/10/27/69/617102769.db2.gz BGHNANDKDQCAOJ-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CO[C@H]1CC[C@@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000879355274 617102771 /nfs/dbraw/zinc/10/27/71/617102771.db2.gz BGHNANDKDQCAOJ-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CO[C@H]1C[N@H+](Cc2[nH]c(C)[nH+]c2C)[C@](C)(CO)C1 ZINC000931469906 617111433 /nfs/dbraw/zinc/11/14/33/617111433.db2.gz HIBVSKRXMCTYRB-YPMHNXCESA-N 2 2 253.346 0.998 20 0 CCADLP CO[C@H]1C[N@@H+](Cc2[nH]c(C)[nH+]c2C)[C@](C)(CO)C1 ZINC000931469906 617111435 /nfs/dbraw/zinc/11/14/35/617111435.db2.gz HIBVSKRXMCTYRB-YPMHNXCESA-N 2 2 253.346 0.998 20 0 CCADLP CO[C@@H](C)C[NH+]1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000957663257 617153792 /nfs/dbraw/zinc/15/37/92/617153792.db2.gz HQQVGROFZWDEDC-LBPRGKRZSA-N 2 2 280.372 0.371 20 0 CCADLP CC(C)[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027090471 625727510 /nfs/dbraw/zinc/72/75/10/625727510.db2.gz RJRSEWFGHFJBLW-NSHDSACASA-N 2 2 250.346 0.799 20 0 CCADLP Cc1cc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cnc1F ZINC000893179475 625364273 /nfs/dbraw/zinc/36/42/73/625364273.db2.gz SEILDJKCRUCXDJ-ZDUSSCGKSA-N 2 2 255.337 0.931 20 0 CCADLP C[N@H+](C[C@H](O)CO)C1CC[NH+](Cc2ccccc2)CC1 ZINC000309594261 625394068 /nfs/dbraw/zinc/39/40/68/625394068.db2.gz SOELOMMJVOKICZ-INIZCTEOSA-N 2 2 278.396 0.936 20 0 CCADLP C[N@@H+](C[C@H](O)CO)C1CC[NH+](Cc2ccccc2)CC1 ZINC000309594261 625394070 /nfs/dbraw/zinc/39/40/70/625394070.db2.gz SOELOMMJVOKICZ-INIZCTEOSA-N 2 2 278.396 0.936 20 0 CCADLP C[N@H+](C[C@@H](O)CO)C1CC[NH+](Cc2ccccc2)CC1 ZINC000309594262 625394148 /nfs/dbraw/zinc/39/41/48/625394148.db2.gz SOELOMMJVOKICZ-MRXNPFEDSA-N 2 2 278.396 0.936 20 0 CCADLP C[N@@H+](C[C@@H](O)CO)C1CC[NH+](Cc2ccccc2)CC1 ZINC000309594262 625394149 /nfs/dbraw/zinc/39/41/49/625394149.db2.gz SOELOMMJVOKICZ-MRXNPFEDSA-N 2 2 278.396 0.936 20 0 CCADLP CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001026365878 625414627 /nfs/dbraw/zinc/41/46/27/625414627.db2.gz CHCZCNMDNDRMEP-WCFLWFBJSA-N 2 2 262.357 0.799 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CC[C@@H]([NH2+]CCO)[C@@H]2C1 ZINC001026406518 625434174 /nfs/dbraw/zinc/43/41/74/625434174.db2.gz ARLVQLKZQZIVIH-YNEHKIRRSA-N 2 2 292.383 0.080 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)COCC1CC1 ZINC000925619035 625454852 /nfs/dbraw/zinc/45/48/52/625454852.db2.gz ZTETWVJOKNTEFF-QWHCGFSZSA-N 2 2 254.374 0.648 20 0 CCADLP C[C@H](O)C[NH2+]C1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001026583664 625476398 /nfs/dbraw/zinc/47/63/98/625476398.db2.gz CKSRWMJRQYIEOO-UNXYVOJBSA-N 2 2 280.372 0.350 20 0 CCADLP C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C(=O)NCCF ZINC000925660617 625480415 /nfs/dbraw/zinc/48/04/15/625480415.db2.gz OSYZJIHHGWTRAR-KUYXLPFXSA-N 2 2 255.337 0.047 20 0 CCADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000925678106 625524277 /nfs/dbraw/zinc/52/42/77/625524277.db2.gz CABSHJIZOGRJNE-WJTFHPDPSA-N 3 2 281.444 0.939 20 0 CCADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000925678106 625524283 /nfs/dbraw/zinc/52/42/83/625524283.db2.gz CABSHJIZOGRJNE-WJTFHPDPSA-N 3 2 281.444 0.939 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000925689955 625578188 /nfs/dbraw/zinc/57/81/88/625578188.db2.gz IWGTWVSRCWHZOB-IGQOVBAYSA-N 2 2 253.390 0.580 20 0 CCADLP Cc1cc(CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc(C)[nH+]1 ZINC000892187607 622656548 /nfs/dbraw/zinc/65/65/48/622656548.db2.gz FDBKJNHOSDWGCL-STQMWFEESA-N 2 2 260.341 0.954 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCF)C1 ZINC001022735630 622708356 /nfs/dbraw/zinc/70/83/56/622708356.db2.gz BIYIRUJHEOROOL-WRWGMCAJSA-N 2 2 280.347 0.730 20 0 CCADLP Cn1nccc1C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001022774962 622742917 /nfs/dbraw/zinc/74/29/17/622742917.db2.gz GGRQRZOVAIBVRO-PHIMTYICSA-N 2 2 288.355 0.123 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+]CCn2cccn2)C1 ZINC001022775489 622744895 /nfs/dbraw/zinc/74/48/95/622744895.db2.gz UKNXNMBNJNTHMF-TXEJJXNPSA-N 2 2 288.355 0.086 20 0 CCADLP CC[NH2+][C@H]1C[C@@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001022795904 622764878 /nfs/dbraw/zinc/76/48/78/622764878.db2.gz WLPORJMIPCLNGL-OKILXGFUSA-N 2 2 295.427 0.888 20 0 CCADLP O=C1N[C@H](C[NH+]2CCCCC2)C(=O)N1CCn1cc[nH+]c1 ZINC000924442424 622852882 /nfs/dbraw/zinc/85/28/82/622852882.db2.gz PNBGCLDGHSHZET-GFCCVEGCSA-N 2 2 291.355 0.289 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@@H]([NH2+]C(C)C)C1 ZINC001023025891 622886810 /nfs/dbraw/zinc/88/68/10/622886810.db2.gz UYEMIZLHVAWDDV-PHIMTYICSA-N 2 2 250.346 0.906 20 0 CCADLP CON(C)C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000091632122 622886935 /nfs/dbraw/zinc/88/69/35/622886935.db2.gz VUOXJAVOAOKDJF-OCCSQVGLSA-N 2 2 281.400 0.955 20 0 CCADLP CON(C)C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000091632122 622886936 /nfs/dbraw/zinc/88/69/36/622886936.db2.gz VUOXJAVOAOKDJF-OCCSQVGLSA-N 2 2 281.400 0.955 20 0 CCADLP CON(C)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000091632122 622886939 /nfs/dbraw/zinc/88/69/39/622886939.db2.gz VUOXJAVOAOKDJF-OCCSQVGLSA-N 2 2 281.400 0.955 20 0 CCADLP CON(C)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000091632122 622886941 /nfs/dbraw/zinc/88/69/41/622886941.db2.gz VUOXJAVOAOKDJF-OCCSQVGLSA-N 2 2 281.400 0.955 20 0 CCADLP C[C@@H]1CC[C@H](C[NH2+][C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3)C2)O1 ZINC001023160924 622935963 /nfs/dbraw/zinc/93/59/63/622935963.db2.gz HLHWGZCKFPVGLK-YIYPIFLZSA-N 2 2 292.383 0.687 20 0 CCADLP C[C@H]1CC[N@H+](CCNC(=O)NCC[NH+]2CCO[C@H](C)C2)C1 ZINC000892598230 623574395 /nfs/dbraw/zinc/57/43/95/623574395.db2.gz YQXBQMCAIZNAIC-UONOGXRCSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@H]1CC[N@@H+](CCNC(=O)NCC[NH+]2CCO[C@H](C)C2)C1 ZINC000892598230 623574400 /nfs/dbraw/zinc/57/44/00/623574400.db2.gz YQXBQMCAIZNAIC-UONOGXRCSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@H]1CC[NH+](CCNC(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000892598230 623574409 /nfs/dbraw/zinc/57/44/09/623574409.db2.gz YQXBQMCAIZNAIC-UONOGXRCSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@H]1CC[NH+](CCNC(=O)NCC[N@H+]2CCO[C@H](C)C2)C1 ZINC000892598230 623574418 /nfs/dbraw/zinc/57/44/18/623574418.db2.gz YQXBQMCAIZNAIC-UONOGXRCSA-N 2 2 298.431 0.348 20 0 CCADLP O[C@H]1CCN(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000926773798 623606121 /nfs/dbraw/zinc/60/61/21/623606121.db2.gz FCTYBUKGEOBYND-ZNMIVQPWSA-N 2 2 267.417 0.660 20 0 CCADLP O[C@H]1CCN(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000926773798 623606125 /nfs/dbraw/zinc/60/61/25/623606125.db2.gz FCTYBUKGEOBYND-ZNMIVQPWSA-N 2 2 267.417 0.660 20 0 CCADLP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000926777124 623618692 /nfs/dbraw/zinc/61/86/92/623618692.db2.gz HFOBCLKRRLJWKX-AGIUHOORSA-N 2 2 283.416 0.478 20 0 CCADLP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000926777124 623618698 /nfs/dbraw/zinc/61/86/98/623618698.db2.gz HFOBCLKRRLJWKX-AGIUHOORSA-N 2 2 283.416 0.478 20 0 CCADLP CC(C)[C@@H](CNC1=[NH+]C[C@H](C)N1)[NH+]1CCN(C)CC1 ZINC000311488893 623746116 /nfs/dbraw/zinc/74/61/16/623746116.db2.gz MRCJTBAKXKFRGN-QWHCGFSZSA-N 2 2 267.421 0.196 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001020388708 624462706 /nfs/dbraw/zinc/46/27/06/624462706.db2.gz HSYOFPPPUCMGQG-SRVKXCTJSA-N 2 2 288.351 0.566 20 0 CCADLP O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)c1cccc2[nH+]ccn21 ZINC001020388765 624462770 /nfs/dbraw/zinc/46/27/70/624462770.db2.gz KFMBIARMXAKYNC-XYPYZODXSA-N 2 2 274.324 0.177 20 0 CCADLP CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001020504454 624499228 /nfs/dbraw/zinc/49/92/28/624499228.db2.gz IGFQZSTZAZLEDA-UMVBOHGHSA-N 2 2 295.427 0.887 20 0 CCADLP CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001020504454 624499229 /nfs/dbraw/zinc/49/92/29/624499229.db2.gz IGFQZSTZAZLEDA-UMVBOHGHSA-N 2 2 295.427 0.887 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1C[NH+](CCCF)C1 ZINC000969441756 624503874 /nfs/dbraw/zinc/50/38/74/624503874.db2.gz MXTBWOOIPWCPPM-YPMHNXCESA-N 2 2 287.379 0.113 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1C[NH+](CCCF)C1 ZINC000969441756 624503880 /nfs/dbraw/zinc/50/38/80/624503880.db2.gz MXTBWOOIPWCPPM-YPMHNXCESA-N 2 2 287.379 0.113 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001020571198 624530664 /nfs/dbraw/zinc/53/06/64/624530664.db2.gz FWLKDCVTDIEXJK-KKOKHZNYSA-N 2 2 292.383 0.447 20 0 CCADLP C[C@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1c[nH+]ccc1N ZINC000902453261 634388976 /nfs/dbraw/zinc/38/89/76/634388976.db2.gz OKAIVTQLRJTEMR-NSHDSACASA-N 2 2 298.412 0.570 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH2+]Cc3cnon3)C2)C1 ZINC000969954177 624562405 /nfs/dbraw/zinc/56/24/05/624562405.db2.gz ATISLHFFUVYCES-NWDGAFQWSA-N 2 2 293.371 0.102 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000812875642 624641030 /nfs/dbraw/zinc/64/10/30/624641030.db2.gz AEOVWFFTCYRFIQ-UONOGXRCSA-N 2 2 264.373 0.587 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000812875642 624641031 /nfs/dbraw/zinc/64/10/31/624641031.db2.gz AEOVWFFTCYRFIQ-UONOGXRCSA-N 2 2 264.373 0.587 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC([C@H]2COC(=O)N2)CC1 ZINC000932773216 624699679 /nfs/dbraw/zinc/69/96/79/624699679.db2.gz MUPWMRBAWCSLGX-ZIAGYGMSSA-N 2 2 299.415 0.508 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC([C@H]2COC(=O)N2)CC1 ZINC000932773216 624699686 /nfs/dbraw/zinc/69/96/86/624699686.db2.gz MUPWMRBAWCSLGX-ZIAGYGMSSA-N 2 2 299.415 0.508 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC000970856537 624770982 /nfs/dbraw/zinc/77/09/82/624770982.db2.gz MEIYEZXGDJKMJF-UONOGXRCSA-N 2 2 292.383 0.500 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+]C[C@@H]2CCCCO2)C1 ZINC000970858122 624772651 /nfs/dbraw/zinc/77/26/51/624772651.db2.gz QDXVFYCZPUEMBG-KGLIPLIRSA-N 2 2 292.383 0.643 20 0 CCADLP [NH3+][C@H]1C[C@H](CNC(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000891681097 624902201 /nfs/dbraw/zinc/90/22/01/624902201.db2.gz GTBXNBFCCMPZEM-HAQNSBGRSA-N 2 2 273.340 0.871 20 0 CCADLP O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001022286073 624910642 /nfs/dbraw/zinc/91/06/42/624910642.db2.gz NUTSBNVWBBZAHD-PHIMTYICSA-N 2 2 274.324 0.406 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000891895052 624977164 /nfs/dbraw/zinc/97/71/64/624977164.db2.gz ASQTWVBMPZPWIG-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[N@H+]1CCC[C@H]1C ZINC000891895052 624977199 /nfs/dbraw/zinc/97/71/99/624977199.db2.gz ASQTWVBMPZPWIG-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](C[NH2+]C[C@H]2CCOC2)C1 ZINC001027091444 625729717 /nfs/dbraw/zinc/72/97/17/625729717.db2.gz MZCYBISJOHEMMT-CHWSQXEVSA-N 2 2 292.383 0.427 20 0 CCADLP C[N@H+](CCF)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001027346201 625842962 /nfs/dbraw/zinc/84/29/62/625842962.db2.gz CWKCFQLJHDDUSN-OLZOCXBDSA-N 2 2 287.379 0.209 20 0 CCADLP C[N@@H+](CCF)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001027346201 625842964 /nfs/dbraw/zinc/84/29/64/625842964.db2.gz CWKCFQLJHDDUSN-OLZOCXBDSA-N 2 2 287.379 0.209 20 0 CCADLP C[NH+](CCF)[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001027346201 625842969 /nfs/dbraw/zinc/84/29/69/625842969.db2.gz CWKCFQLJHDDUSN-OLZOCXBDSA-N 2 2 287.379 0.209 20 0 CCADLP C[NH+](CCF)[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001027346201 625842973 /nfs/dbraw/zinc/84/29/73/625842973.db2.gz CWKCFQLJHDDUSN-OLZOCXBDSA-N 2 2 287.379 0.209 20 0 CCADLP C[N@H+](CCO)[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001027388772 625865206 /nfs/dbraw/zinc/86/52/06/625865206.db2.gz TUBGKTBBXUCSCJ-GFCCVEGCSA-N 2 2 280.372 0.257 20 0 CCADLP C[N@@H+](CCO)[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001027388772 625865208 /nfs/dbraw/zinc/86/52/08/625865208.db2.gz TUBGKTBBXUCSCJ-GFCCVEGCSA-N 2 2 280.372 0.257 20 0 CCADLP Cn1nnnc1CCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000903351846 634554846 /nfs/dbraw/zinc/55/48/46/634554846.db2.gz PQXYPIRNHLRLQB-QWHCGFSZSA-N 2 2 278.404 0.749 20 0 CCADLP Cn1nnnc1CCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000903351846 634554851 /nfs/dbraw/zinc/55/48/51/634554851.db2.gz PQXYPIRNHLRLQB-QWHCGFSZSA-N 2 2 278.404 0.749 20 0 CCADLP C[C@]1(C2CC[NH+](C[C@H]3CCC[NH2+]3)CC2)COC(=O)N1 ZINC000903563866 634608485 /nfs/dbraw/zinc/60/84/85/634608485.db2.gz LTMHQZVQUVKTHF-TZMCWYRMSA-N 2 2 267.373 0.949 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903745252 634633739 /nfs/dbraw/zinc/63/37/39/634633739.db2.gz ACPWMWXPKYQNOJ-LSDHHAIUSA-N 3 2 294.443 0.272 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903745252 634633741 /nfs/dbraw/zinc/63/37/41/634633741.db2.gz ACPWMWXPKYQNOJ-LSDHHAIUSA-N 3 2 294.443 0.272 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903745249 634633828 /nfs/dbraw/zinc/63/38/28/634633828.db2.gz ACPWMWXPKYQNOJ-CABCVRRESA-N 3 2 294.443 0.272 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903745249 634633831 /nfs/dbraw/zinc/63/38/31/634633831.db2.gz ACPWMWXPKYQNOJ-CABCVRRESA-N 3 2 294.443 0.272 20 0 CCADLP [NH3+]C[C@H]1CCC[N@H+](Cc2[nH]nc3c2COCC3)C1 ZINC000903713705 634634077 /nfs/dbraw/zinc/63/40/77/634634077.db2.gz ZWNARHCEUFLTGR-SNVBAGLBSA-N 2 2 250.346 0.653 20 0 CCADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2[nH]nc3c2COCC3)C1 ZINC000903713705 634634081 /nfs/dbraw/zinc/63/40/81/634634081.db2.gz ZWNARHCEUFLTGR-SNVBAGLBSA-N 2 2 250.346 0.653 20 0 CCADLP C[C@@H]1CC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)[C@H](C[NH3+])C1 ZINC000903766357 634643117 /nfs/dbraw/zinc/64/31/17/634643117.db2.gz PPNMOFYXICMFGG-BARDWOONSA-N 3 2 267.417 0.814 20 0 CCADLP C[C@@H]1CC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)[C@H](C[NH3+])C1 ZINC000903766357 634643122 /nfs/dbraw/zinc/64/31/22/634643122.db2.gz PPNMOFYXICMFGG-BARDWOONSA-N 3 2 267.417 0.814 20 0 CCADLP [NH3+]CC12CCC(CC1)C[N@@H+]2C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000903768409 634643843 /nfs/dbraw/zinc/64/38/43/634643843.db2.gz MPOCVPHVLZKKDE-QFSHSQKFSA-N 2 2 266.385 0.994 20 0 CCADLP [NH3+]CC12CCC(CC1)C[N@H+]2C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000903768409 634643847 /nfs/dbraw/zinc/64/38/47/634643847.db2.gz MPOCVPHVLZKKDE-QFSHSQKFSA-N 2 2 266.385 0.994 20 0 CCADLP [NH3+]C[C@@]12CC[C@H]1CCCN2CC[NH+]1CCOCC1 ZINC000903797626 634654592 /nfs/dbraw/zinc/65/45/92/634654592.db2.gz ISHPKPOLWXFRMV-KGLIPLIRSA-N 2 2 253.390 0.522 20 0 CCADLP c1cn(CCC[NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)c[nH+]1 ZINC000903925478 634687900 /nfs/dbraw/zinc/68/79/00/634687900.db2.gz NJFVOFQIVHPUAR-CYBMUJFWSA-N 3 2 289.387 0.579 20 0 CCADLP C[C@H]1CN(C)C(=O)C[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903909980 634684104 /nfs/dbraw/zinc/68/41/04/634684104.db2.gz YVTGGNLKKMMWBR-LBPRGKRZSA-N 2 2 273.380 0.995 20 0 CCADLP C[C@H]1CN(C)C(=O)C[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903909980 634684108 /nfs/dbraw/zinc/68/41/08/634684108.db2.gz YVTGGNLKKMMWBR-LBPRGKRZSA-N 2 2 273.380 0.995 20 0 CCADLP O[C@H](C[C@H](O)C[NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000905037699 634780507 /nfs/dbraw/zinc/78/05/07/634780507.db2.gz ZJJVSOQBAMWYJE-LSDHHAIUSA-N 2 2 275.352 0.957 20 0 CCADLP O[C@@H](C[NH2+]CCCNc1cccc[nH+]1)C1(O)CCC1 ZINC000905128809 634804724 /nfs/dbraw/zinc/80/47/24/634804724.db2.gz UVJNBTZZYLFWDL-LBPRGKRZSA-N 2 2 265.357 0.749 20 0 CCADLP C[N@@H+]1CC[C@@H]1CNC(=O)NCCCn1cc[nH+]c1 ZINC000905149574 634809766 /nfs/dbraw/zinc/80/97/66/634809766.db2.gz RQLMELXXYNLFSE-LLVKDONJSA-N 2 2 251.334 0.277 20 0 CCADLP C[N@H+]1CC[C@@H]1CNC(=O)NCCCn1cc[nH+]c1 ZINC000905149574 634809772 /nfs/dbraw/zinc/80/97/72/634809772.db2.gz RQLMELXXYNLFSE-LLVKDONJSA-N 2 2 251.334 0.277 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000905147856 634810035 /nfs/dbraw/zinc/81/00/35/634810035.db2.gz IMAFLFYBGPVDSQ-QWRGUYRKSA-N 2 2 251.334 0.275 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1CC[N@H+]1C ZINC000905147856 634810039 /nfs/dbraw/zinc/81/00/39/634810039.db2.gz IMAFLFYBGPVDSQ-QWRGUYRKSA-N 2 2 251.334 0.275 20 0 CCADLP O[C@@H](CCC1(O)CCC1)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000905262263 634830441 /nfs/dbraw/zinc/83/04/41/634830441.db2.gz GJGQPTCNUXIEMS-RYUDHWBXSA-N 2 2 279.384 0.913 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C[NH3+])CCO1 ZINC000093874067 630890828 /nfs/dbraw/zinc/89/08/28/630890828.db2.gz WOBOZRDANWKQRO-LLVKDONJSA-N 2 2 257.378 0.150 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C[NH3+])CCO1 ZINC000093874067 630890836 /nfs/dbraw/zinc/89/08/36/630890836.db2.gz WOBOZRDANWKQRO-LLVKDONJSA-N 2 2 257.378 0.150 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424025412 630915156 /nfs/dbraw/zinc/91/51/56/630915156.db2.gz IRPDGDHDHKRLCW-GDBMZVCRSA-N 2 2 295.427 0.842 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424025412 630915160 /nfs/dbraw/zinc/91/51/60/630915160.db2.gz IRPDGDHDHKRLCW-GDBMZVCRSA-N 2 2 295.427 0.842 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([N@@H+](C)C[C@H](C)O)C1 ZINC000980271436 631007251 /nfs/dbraw/zinc/00/72/51/631007251.db2.gz VCLQEQDCEPUCNT-JQWIXIFHSA-N 2 2 280.372 0.174 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([N@H+](C)C[C@H](C)O)C1 ZINC000980271436 631007256 /nfs/dbraw/zinc/00/72/56/631007256.db2.gz VCLQEQDCEPUCNT-JQWIXIFHSA-N 2 2 280.372 0.174 20 0 CCADLP Cn1ncc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1C1CC1 ZINC000893605773 631023716 /nfs/dbraw/zinc/02/37/16/631023716.db2.gz JTOYQRUXLMLJTA-AWEZNQCLSA-N 2 2 264.373 0.454 20 0 CCADLP Cn1ncc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1C1CC1 ZINC000893605773 631023718 /nfs/dbraw/zinc/02/37/18/631023718.db2.gz JTOYQRUXLMLJTA-AWEZNQCLSA-N 2 2 264.373 0.454 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[C@H]([NH2+]CCO)C1 ZINC000981485209 631282741 /nfs/dbraw/zinc/28/27/41/631282741.db2.gz HRONJWLAJLDAOG-NWDGAFQWSA-N 2 2 280.372 0.270 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[C@H]([NH2+]CCF)C1 ZINC000981550500 631287811 /nfs/dbraw/zinc/28/78/11/631287811.db2.gz NLQAQAHQEIQCTH-NWDGAFQWSA-N 2 2 268.336 0.870 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000925822300 631324378 /nfs/dbraw/zinc/32/43/78/631324378.db2.gz LDGKVXINXDALDM-CABNGKKXSA-N 2 2 254.374 0.911 20 0 CCADLP COCCOCCOCC[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000124907624 631420898 /nfs/dbraw/zinc/42/08/98/631420898.db2.gz IXUFJVRMMOHBMT-UONOGXRCSA-N 2 2 274.405 0.868 20 0 CCADLP COCCOCCOCC[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000124907624 631420902 /nfs/dbraw/zinc/42/09/02/631420902.db2.gz IXUFJVRMMOHBMT-UONOGXRCSA-N 2 2 274.405 0.868 20 0 CCADLP C[C@H]([NH2+]C[C@H](O)c1ccnn1C)[C@@H]1CCCC[NH2+]1 ZINC000925891727 631436914 /nfs/dbraw/zinc/43/69/14/631436914.db2.gz XHLLPKDJQDTSLC-GVXVVHGQSA-N 2 2 252.362 0.574 20 0 CCADLP C[C@H]1CC[N@H+](CCF)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000968647583 650025221 /nfs/dbraw/zinc/02/52/21/650025221.db2.gz MVXIMONIDOBEFZ-QWHCGFSZSA-N 2 2 271.380 0.878 20 0 CCADLP C[C@H]1CC[N@@H+](CCF)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000968647583 650025222 /nfs/dbraw/zinc/02/52/22/650025222.db2.gz MVXIMONIDOBEFZ-QWHCGFSZSA-N 2 2 271.380 0.878 20 0 CCADLP C[C@@H]1CC[N@H+](CCNC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000894309158 631702406 /nfs/dbraw/zinc/70/24/06/631702406.db2.gz OFHVBRBMSVGGBP-OLZOCXBDSA-N 2 2 291.399 0.839 20 0 CCADLP C[C@@H]1CC[N@@H+](CCNC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000894309158 631702411 /nfs/dbraw/zinc/70/24/11/631702411.db2.gz OFHVBRBMSVGGBP-OLZOCXBDSA-N 2 2 291.399 0.839 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC[N@@H+]1C ZINC000928431226 631814249 /nfs/dbraw/zinc/81/42/49/631814249.db2.gz LYHFQYMHGFHBBC-YPMHNXCESA-N 2 2 276.384 0.971 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC[N@H+]1C ZINC000928431226 631814255 /nfs/dbraw/zinc/81/42/55/631814255.db2.gz LYHFQYMHGFHBBC-YPMHNXCESA-N 2 2 276.384 0.971 20 0 CCADLP C[C@H]1[C@H](Nc2cc[nH+]c(N3CCOCC3)n2)CC[N@@H+]1C ZINC000895736936 632143825 /nfs/dbraw/zinc/14/38/25/632143825.db2.gz QILWEJNLAGGOGY-NWDGAFQWSA-N 2 2 277.372 0.818 20 0 CCADLP C[C@H]1[C@H](Nc2cc[nH+]c(N3CCOCC3)n2)CC[N@H+]1C ZINC000895736936 632143828 /nfs/dbraw/zinc/14/38/28/632143828.db2.gz QILWEJNLAGGOGY-NWDGAFQWSA-N 2 2 277.372 0.818 20 0 CCADLP Cc1[nH]c(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[nH+]c1C ZINC000896907528 632357420 /nfs/dbraw/zinc/35/74/20/632357420.db2.gz NPIIPALBFBLNRH-GHMZBOCLSA-N 2 2 250.346 0.983 20 0 CCADLP Cc1[nH]c(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[nH+]c1C ZINC000896907528 632357425 /nfs/dbraw/zinc/35/74/25/632357425.db2.gz NPIIPALBFBLNRH-GHMZBOCLSA-N 2 2 250.346 0.983 20 0 CCADLP C[C@H](NC(=O)[C@H]1CC[N@@H+]1C(C)(C)C)[C@H]1C[NH+](C)CCO1 ZINC000897077273 632390493 /nfs/dbraw/zinc/39/04/93/632390493.db2.gz JIADLVGLBZSMRU-YNEHKIRRSA-N 2 2 283.416 0.695 20 0 CCADLP C[C@H](NC(=O)[C@H]1CC[N@H+]1C(C)(C)C)[C@H]1C[NH+](C)CCO1 ZINC000897077273 632390500 /nfs/dbraw/zinc/39/05/00/632390500.db2.gz JIADLVGLBZSMRU-YNEHKIRRSA-N 2 2 283.416 0.695 20 0 CCADLP C[C@H](NC(=O)[C@H]1CC[NH+]1C(C)(C)C)[C@H]1C[N@H+](C)CCO1 ZINC000897077273 632390508 /nfs/dbraw/zinc/39/05/08/632390508.db2.gz JIADLVGLBZSMRU-YNEHKIRRSA-N 2 2 283.416 0.695 20 0 CCADLP C[C@H](NC(=O)[C@H]1CC[NH+]1C(C)(C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000897077273 632390516 /nfs/dbraw/zinc/39/05/16/632390516.db2.gz JIADLVGLBZSMRU-YNEHKIRRSA-N 2 2 283.416 0.695 20 0 CCADLP CC(C)[C@@H](C[NH2+]Cc1ncc[nH]1)N1CC[NH+](C)CC1 ZINC000049715666 632486859 /nfs/dbraw/zinc/48/68/59/632486859.db2.gz TUOGEWOXXHHDQY-CYBMUJFWSA-N 2 2 265.405 0.771 20 0 CCADLP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000925196689 632609962 /nfs/dbraw/zinc/60/99/62/632609962.db2.gz HIARDEMDQATADT-UPJWGTAASA-N 2 2 253.390 0.975 20 0 CCADLP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000925196689 632609973 /nfs/dbraw/zinc/60/99/73/632609973.db2.gz HIARDEMDQATADT-UPJWGTAASA-N 2 2 253.390 0.975 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CCC[N@H+](CCO)C2)c[nH+]1 ZINC001007599122 650086102 /nfs/dbraw/zinc/08/61/02/650086102.db2.gz ZHKIIHCCYLUDJI-CYBMUJFWSA-N 2 2 294.399 0.500 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CCC[N@@H+](CCO)C2)c[nH+]1 ZINC001007599122 650086104 /nfs/dbraw/zinc/08/61/04/650086104.db2.gz ZHKIIHCCYLUDJI-CYBMUJFWSA-N 2 2 294.399 0.500 20 0 CCADLP CCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C ZINC000987058817 632818361 /nfs/dbraw/zinc/81/83/61/632818361.db2.gz NFWRERYXZSMDQH-ZYHUDNBSSA-N 2 2 250.346 0.941 20 0 CCADLP CCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000987609587 632885631 /nfs/dbraw/zinc/88/56/31/632885631.db2.gz KOTCKHFOLVOWCE-RYUDHWBXSA-N 2 2 250.346 0.872 20 0 CCADLP CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000988933401 633128114 /nfs/dbraw/zinc/12/81/14/633128114.db2.gz LBMYBKIJCHZRTN-PWSUYJOCSA-N 2 2 250.346 0.941 20 0 CCADLP CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000988933401 633128119 /nfs/dbraw/zinc/12/81/19/633128119.db2.gz LBMYBKIJCHZRTN-PWSUYJOCSA-N 2 2 250.346 0.941 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)c2ncnn21 ZINC000924630087 633535474 /nfs/dbraw/zinc/53/54/74/633535474.db2.gz WPIKTJWALHDFLA-STQMWFEESA-N 2 2 292.431 0.900 20 0 CCADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccnnc1 ZINC000924758497 633838191 /nfs/dbraw/zinc/83/81/91/633838191.db2.gz WOXFJLKAQDXLEA-JSGCOSHPSA-N 2 2 264.373 0.974 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)c1ccnn1CC[NH+](C)C ZINC000900920322 634125612 /nfs/dbraw/zinc/12/56/12/634125612.db2.gz PPZPRNVVNYNPLX-UHFFFAOYSA-N 2 2 276.344 0.406 20 0 CCADLP CS[C@H]1CN(C(=O)CNc2cccc[nH+]2)C[C@H]1[NH+](C)C ZINC000901227049 634216445 /nfs/dbraw/zinc/21/64/45/634216445.db2.gz AJMGFHJHSUSQFU-NEPJUHHUSA-N 2 2 294.424 0.998 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000905446709 634862611 /nfs/dbraw/zinc/86/26/11/634862611.db2.gz KMYAUNZVTJVWSR-CVEARBPZSA-N 2 2 297.443 0.144 20 0 CCADLP O=C(CNc1cccc[nH+]1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000908525042 635399686 /nfs/dbraw/zinc/39/96/86/635399686.db2.gz DHPOWIGMDLKHOD-ZDUSSCGKSA-N 2 2 292.383 0.457 20 0 CCADLP O=C(CNc1cccc[nH+]1)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000908525042 635399697 /nfs/dbraw/zinc/39/96/97/635399697.db2.gz DHPOWIGMDLKHOD-ZDUSSCGKSA-N 2 2 292.383 0.457 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@@H+]1CCCO ZINC000947755149 636961012 /nfs/dbraw/zinc/96/10/12/636961012.db2.gz XJAFJMNRURVOMJ-RYUDHWBXSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@H+]1CCCO ZINC000947755149 636961018 /nfs/dbraw/zinc/96/10/18/636961018.db2.gz XJAFJMNRURVOMJ-RYUDHWBXSA-N 2 2 280.372 0.304 20 0 CCADLP C[NH+](C)CCNC(=S)NCCCNc1cccc[nH+]1 ZINC000060433675 637045731 /nfs/dbraw/zinc/04/57/31/637045731.db2.gz FLILIHIWRZYRNT-UHFFFAOYSA-N 2 2 281.429 0.909 20 0 CCADLP C[C@@H]1C[NH+](CCC[NH2+]C[C@H](O)C2CC2)C[C@@H](C)O1 ZINC000840743670 637109166 /nfs/dbraw/zinc/10/91/66/637109166.db2.gz PKPAJZOQNOEYLW-BZPMIXESSA-N 2 2 256.390 0.846 20 0 CCADLP CC[NH2+]C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000991901605 637167973 /nfs/dbraw/zinc/16/79/73/637167973.db2.gz ORKZXORDMXMTLQ-UHFFFAOYSA-N 2 2 250.346 0.943 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NCCNc2cccc[nH+]2)CC[N@@H+]1C ZINC000913915702 637467477 /nfs/dbraw/zinc/46/74/77/637467477.db2.gz LFOKCJIYZWBWOS-VXGBXAGGSA-N 2 2 277.372 0.885 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NCCNc2cccc[nH+]2)CC[N@H+]1C ZINC000913915702 637467478 /nfs/dbraw/zinc/46/74/78/637467478.db2.gz LFOKCJIYZWBWOS-VXGBXAGGSA-N 2 2 277.372 0.885 20 0 CCADLP O=C([C@@H]1CCC[C@H]2CCC[N@@H+]21)N1CC[NH+](CCCO)CC1 ZINC000951628630 638204037 /nfs/dbraw/zinc/20/40/37/638204037.db2.gz XQJYZBFYVALPBA-GJZGRUSLSA-N 2 2 295.427 0.530 20 0 CCADLP O=C([C@@H]1CCC[C@H]2CCC[N@H+]21)N1CC[NH+](CCCO)CC1 ZINC000951628630 638204044 /nfs/dbraw/zinc/20/40/44/638204044.db2.gz XQJYZBFYVALPBA-GJZGRUSLSA-N 2 2 295.427 0.530 20 0 CCADLP C[C@H](C(=O)NNc1cc[nH+]cc1)[NH+]1CCSCC1 ZINC000180459265 638270068 /nfs/dbraw/zinc/27/00/68/638270068.db2.gz DPMABJCOASPRFU-SNVBAGLBSA-N 2 2 266.370 0.962 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1[NH2+]CCF ZINC000939535335 638375683 /nfs/dbraw/zinc/37/56/83/638375683.db2.gz QATDAWDIKOWMNA-PWSUYJOCSA-N 2 2 268.336 0.369 20 0 CCADLP CC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000995231968 638646643 /nfs/dbraw/zinc/64/66/43/638646643.db2.gz BICPFDQSJGUOSG-NEPJUHHUSA-N 2 2 250.346 0.778 20 0 CCADLP C[C@H]1C[N@H+](CCF)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944101953 638762178 /nfs/dbraw/zinc/76/21/78/638762178.db2.gz XXXXEFOIXSYHGD-AAEUAGOBSA-N 2 2 282.363 0.759 20 0 CCADLP C[C@H]1C[N@@H+](CCF)CC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944101953 638762181 /nfs/dbraw/zinc/76/21/81/638762181.db2.gz XXXXEFOIXSYHGD-AAEUAGOBSA-N 2 2 282.363 0.759 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]([NH2+]CCF)C(C)(C)C2)C1 ZINC000995596490 638780100 /nfs/dbraw/zinc/78/01/00/638780100.db2.gz IEGBWUAMRJUFSA-RYUDHWBXSA-N 2 2 287.379 0.113 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]([NH2+]CCF)C(C)(C)C2)C1 ZINC000995596490 638780102 /nfs/dbraw/zinc/78/01/02/638780102.db2.gz IEGBWUAMRJUFSA-RYUDHWBXSA-N 2 2 287.379 0.113 20 0 CCADLP C[C@@H]1C[N@H+](CCF)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945807219 638795410 /nfs/dbraw/zinc/79/54/10/638795410.db2.gz HZILZFGAOMTSNZ-NEPJUHHUSA-N 2 2 268.336 0.679 20 0 CCADLP C[C@@H]1C[N@@H+](CCF)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945807219 638795412 /nfs/dbraw/zinc/79/54/12/638795412.db2.gz HZILZFGAOMTSNZ-NEPJUHHUSA-N 2 2 268.336 0.679 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC1(C)C ZINC000995891432 638804686 /nfs/dbraw/zinc/80/46/86/638804686.db2.gz KHYKDAXWMXQTPU-YPMHNXCESA-N 2 2 294.399 0.550 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC1(C)C ZINC000995891432 638804687 /nfs/dbraw/zinc/80/46/87/638804687.db2.gz KHYKDAXWMXQTPU-YPMHNXCESA-N 2 2 294.399 0.550 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]C[C@@H](C)O)C(C)(C)C1 ZINC000996562449 638822241 /nfs/dbraw/zinc/82/22/41/638822241.db2.gz KWPRTUSPOLFCFZ-MFKMUULPSA-N 2 2 294.399 0.468 20 0 CCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC[C@H]([NH2+]CCO)C1 ZINC000999534873 638984714 /nfs/dbraw/zinc/98/47/14/638984714.db2.gz HEEZZHDKNNESKP-STQMWFEESA-N 2 2 292.383 0.018 20 0 CCADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCC[C@H]([NH2+]CCO)C1 ZINC001000157105 639046698 /nfs/dbraw/zinc/04/66/98/639046698.db2.gz GNBRVTUOPBPNKM-NWDGAFQWSA-N 2 2 292.383 0.403 20 0 CCADLP Cn1nc2c(c1C[NH2+]C1CC[NH+](CCO)CC1)CCC2 ZINC000921700844 639050894 /nfs/dbraw/zinc/05/08/94/639050894.db2.gz XJSSLYJLJDPDLK-UHFFFAOYSA-N 2 2 278.400 0.455 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001000247311 639064058 /nfs/dbraw/zinc/06/40/58/639064058.db2.gz QWGSHJAUMIBLJN-JHJVBQTASA-N 2 2 292.383 0.097 20 0 CCADLP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CC[N@H+](CCO)C1 ZINC001014607863 650466920 /nfs/dbraw/zinc/46/69/20/650466920.db2.gz PBHDZZWKIVPKOG-GFCCVEGCSA-N 2 2 297.424 0.606 20 0 CCADLP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001014607863 650466922 /nfs/dbraw/zinc/46/69/22/650466922.db2.gz PBHDZZWKIVPKOG-GFCCVEGCSA-N 2 2 297.424 0.606 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]([NH2+]CCF)C1 ZINC001000693938 639153782 /nfs/dbraw/zinc/15/37/82/639153782.db2.gz HNIYXSUPYBVVMM-LLVKDONJSA-N 2 2 268.336 0.513 20 0 CCADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@H+](Cc2ccns2)C1 ZINC001016252909 639285291 /nfs/dbraw/zinc/28/52/91/639285291.db2.gz WDPCDGOFDPZEHP-LBPRGKRZSA-N 2 2 294.424 0.929 20 0 CCADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+](Cc2ccns2)C1 ZINC001016252909 639285295 /nfs/dbraw/zinc/28/52/95/639285295.db2.gz WDPCDGOFDPZEHP-LBPRGKRZSA-N 2 2 294.424 0.929 20 0 CCADLP COCC[NH+]1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001003701605 639597550 /nfs/dbraw/zinc/59/75/50/639597550.db2.gz UFTQXRNQURDPEW-UHFFFAOYSA-N 2 2 266.345 0.179 20 0 CCADLP Cn1c[nH+]cc1CC[NH2+]Cc1nc(Br)nn1C ZINC000922273862 639618067 /nfs/dbraw/zinc/61/80/67/639618067.db2.gz MWWLCSKXNQEQIV-UHFFFAOYSA-N 2 2 299.176 0.643 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923280336 640068148 /nfs/dbraw/zinc/06/81/48/640068148.db2.gz XGVLTKFVCIWHTG-AVGNSLFASA-N 3 2 253.390 0.567 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923280336 640068154 /nfs/dbraw/zinc/06/81/54/640068154.db2.gz XGVLTKFVCIWHTG-AVGNSLFASA-N 3 2 253.390 0.567 20 0 CCADLP C[C@@H](C[NH3+])[N@H+](C)C[C@@H](O)COc1ccc(F)cc1 ZINC000923289037 640071424 /nfs/dbraw/zinc/07/14/24/640071424.db2.gz DCNXTTRZGBFFAP-CMPLNLGQSA-N 2 2 256.321 0.844 20 0 CCADLP C[C@@H](C[NH3+])[N@@H+](C)C[C@@H](O)COc1ccc(F)cc1 ZINC000923289037 640071430 /nfs/dbraw/zinc/07/14/30/640071430.db2.gz DCNXTTRZGBFFAP-CMPLNLGQSA-N 2 2 256.321 0.844 20 0 CCADLP [NH3+]CC(C[NH3+])NCCCOCCc1ccccc1 ZINC000923351069 640096013 /nfs/dbraw/zinc/09/60/13/640096013.db2.gz GEWWOXTVNPXACX-UHFFFAOYSA-N 2 2 251.374 0.511 20 0 CCADLP [NH3+]CC[N@H+](CCc1ccccc1)C[C@@H](O)Cn1cccn1 ZINC000923351601 640097379 /nfs/dbraw/zinc/09/73/79/640097379.db2.gz MORAAKDHKMWHSG-MRXNPFEDSA-N 2 2 288.395 0.747 20 0 CCADLP [NH3+]CC[N@@H+](CCc1ccccc1)C[C@@H](O)Cn1cccn1 ZINC000923351601 640097388 /nfs/dbraw/zinc/09/73/88/640097388.db2.gz MORAAKDHKMWHSG-MRXNPFEDSA-N 2 2 288.395 0.747 20 0 CCADLP C[C@@H]1C[N@H+](Cc2nc(C(C)(C)[NH3+])no2)CC[C@H]1C[NH3+] ZINC000923505875 640171976 /nfs/dbraw/zinc/17/19/76/640171976.db2.gz CTSCJVJMTCGTSQ-ZJUUUORDSA-N 3 2 267.377 0.680 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)CC[C@H]1C[NH3+] ZINC000923505875 640171981 /nfs/dbraw/zinc/17/19/81/640171981.db2.gz CTSCJVJMTCGTSQ-ZJUUUORDSA-N 3 2 267.377 0.680 20 0 CCADLP O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923531302 640179942 /nfs/dbraw/zinc/17/99/42/640179942.db2.gz QXOJQINXFQUYBC-HRCADAONSA-N 2 2 298.427 0.761 20 0 CCADLP O[C@H](COC[C@@H]1CCCO1)C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923531302 640179952 /nfs/dbraw/zinc/17/99/52/640179952.db2.gz QXOJQINXFQUYBC-HRCADAONSA-N 2 2 298.427 0.761 20 0 CCADLP Cc1cc(C)cc([C@H](O)C[NH2+]C[C@H](O)C[NH+](C)C)c1 ZINC000843062280 640366033 /nfs/dbraw/zinc/36/60/33/640366033.db2.gz NRRBEVZZEYTMFP-LSDHHAIUSA-N 2 2 266.385 0.849 20 0 CCADLP O=C1CC[C@H]([NH+]2CCN(c3cc[nH+]cc3)CC2)C(=O)N1 ZINC000799126369 640546870 /nfs/dbraw/zinc/54/68/70/640546870.db2.gz BKYKFPBJJQHXNT-LBPRGKRZSA-N 2 2 274.324 0.009 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001015690510 650610148 /nfs/dbraw/zinc/61/01/48/650610148.db2.gz NVSDYRWGQPCVPM-VXGBXAGGSA-N 2 2 292.383 0.667 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001015690510 650610150 /nfs/dbraw/zinc/61/01/50/650610150.db2.gz NVSDYRWGQPCVPM-VXGBXAGGSA-N 2 2 292.383 0.667 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(n2cccn2)CC1)C1CC1 ZINC000809943912 640915250 /nfs/dbraw/zinc/91/52/50/640915250.db2.gz GGTGFWZPROBNHT-OAHLLOKOSA-N 2 2 278.400 0.975 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(n2cccn2)CC1)C1CC1 ZINC000809943912 640915253 /nfs/dbraw/zinc/91/52/53/640915253.db2.gz GGTGFWZPROBNHT-OAHLLOKOSA-N 2 2 278.400 0.975 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH+]1CCCC1 ZINC000816891640 641223638 /nfs/dbraw/zinc/22/36/38/641223638.db2.gz YYDOAWMGYGLKGM-NSHDSACASA-N 2 2 250.346 0.800 20 0 CCADLP O=C(C[NH+]1CCCC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000820341713 641500200 /nfs/dbraw/zinc/50/02/00/641500200.db2.gz SSUMSOYJRSYUCW-AWEZNQCLSA-N 2 2 281.400 0.405 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001015996085 650672187 /nfs/dbraw/zinc/67/21/87/650672187.db2.gz CRPPEDSOEJCUOM-NWDGAFQWSA-N 2 2 280.372 0.188 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001015996085 650672189 /nfs/dbraw/zinc/67/21/89/650672189.db2.gz CRPPEDSOEJCUOM-NWDGAFQWSA-N 2 2 280.372 0.188 20 0 CCADLP O=C(C[NH+]1CCCC1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000821271966 641579249 /nfs/dbraw/zinc/57/92/49/641579249.db2.gz QSFMFGQGKYBFBR-CYBMUJFWSA-N 2 2 274.368 0.872 20 0 CCADLP Cc1cc(CCC(=O)NCC[N@@H+](C)CCC[NH+](C)C)no1 ZINC000824958350 641856427 /nfs/dbraw/zinc/85/64/27/641856427.db2.gz WHEQAJJCHUJEFQ-UHFFFAOYSA-N 2 2 296.415 0.915 20 0 CCADLP Cc1cc(CCC(=O)NCC[N@H+](C)CCC[NH+](C)C)no1 ZINC000824958350 641856430 /nfs/dbraw/zinc/85/64/30/641856430.db2.gz WHEQAJJCHUJEFQ-UHFFFAOYSA-N 2 2 296.415 0.915 20 0 CCADLP C[C@H]1C[C@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC[N@@H+]1C ZINC000828596273 642107112 /nfs/dbraw/zinc/10/71/12/642107112.db2.gz TZDTZJNGTKALSS-WDEREUQCSA-N 2 2 250.346 0.893 20 0 CCADLP C[C@H]1C[C@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC[N@H+]1C ZINC000828596273 642107116 /nfs/dbraw/zinc/10/71/16/642107116.db2.gz TZDTZJNGTKALSS-WDEREUQCSA-N 2 2 250.346 0.893 20 0 CCADLP CC(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016399864 650726292 /nfs/dbraw/zinc/72/62/92/650726292.db2.gz QFLBBPBUASIEFV-GFCCVEGCSA-N 2 2 250.346 0.730 20 0 CCADLP CC(C)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016399864 650726295 /nfs/dbraw/zinc/72/62/95/650726295.db2.gz QFLBBPBUASIEFV-GFCCVEGCSA-N 2 2 250.346 0.730 20 0 CCADLP C[NH+](C)C[C@@H]1CCCN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000831898361 642406042 /nfs/dbraw/zinc/40/60/42/642406042.db2.gz HJGOKNGQMQLDIT-JTQLQIEISA-N 2 2 277.372 0.222 20 0 CCADLP Cc1ccc(NC(=O)NCC2C[NH2+]C2)c(N(C)C)[nH+]1 ZINC000841154325 642805598 /nfs/dbraw/zinc/80/55/98/642805598.db2.gz FXLFGGJEYYBFJB-UHFFFAOYSA-N 2 2 263.345 0.797 20 0 CCADLP O[C@H](C[NH2+]C[C@@H](O)c1ccc(F)cn1)C[NH+]1CCCC1 ZINC000843061190 642982624 /nfs/dbraw/zinc/98/26/24/642982624.db2.gz BNSQYYTWSONILU-TZMCWYRMSA-N 2 2 283.347 0.300 20 0 CCADLP O[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(F)cn1 ZINC000843061187 642983137 /nfs/dbraw/zinc/98/31/37/642983137.db2.gz BNSQYYTWSONILU-GXTWGEPZSA-N 2 2 283.347 0.300 20 0 CCADLP Cc1ccc([C@H](O)C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)o1 ZINC000843085195 642990299 /nfs/dbraw/zinc/99/02/99/642990299.db2.gz GNTFYUKKWVYYQL-CHWSQXEVSA-N 2 2 268.357 0.666 20 0 CCADLP Cc1ccc([C@H](O)C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)o1 ZINC000843085195 642990301 /nfs/dbraw/zinc/99/03/01/642990301.db2.gz GNTFYUKKWVYYQL-CHWSQXEVSA-N 2 2 268.357 0.666 20 0 CCADLP [NH3+]CCCCCCC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000843369461 643039886 /nfs/dbraw/zinc/03/98/86/643039886.db2.gz NHMLNAFGEZMEKD-OAHLLOKOSA-N 3 2 296.459 0.792 20 0 CCADLP [NH3+]CCCCCCC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000843369461 643039893 /nfs/dbraw/zinc/03/98/93/643039893.db2.gz NHMLNAFGEZMEKD-OAHLLOKOSA-N 3 2 296.459 0.792 20 0 CCADLP [NH3+]CCCCCC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000846220026 643390313 /nfs/dbraw/zinc/39/03/13/643390313.db2.gz JNTDYWZDWVCAIU-CQSZACIVSA-N 3 2 282.432 0.402 20 0 CCADLP [NH3+]CCCCCC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000846220026 643390316 /nfs/dbraw/zinc/39/03/16/643390316.db2.gz JNTDYWZDWVCAIU-CQSZACIVSA-N 3 2 282.432 0.402 20 0 CCADLP [NH3+]C[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000848393843 643631523 /nfs/dbraw/zinc/63/15/23/643631523.db2.gz JRJZWEXMHHSFNY-RYUDHWBXSA-N 2 2 262.357 0.643 20 0 CCADLP Cc1cc(C[N@H+](C)CCCN2CC[NH+](C)CC2)n(C)n1 ZINC000851875433 643894410 /nfs/dbraw/zinc/89/44/10/643894410.db2.gz ODBMXWIOULXIBS-UHFFFAOYSA-N 2 2 279.432 0.798 20 0 CCADLP Cc1cc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)n(C)n1 ZINC000851875433 643894413 /nfs/dbraw/zinc/89/44/13/643894413.db2.gz ODBMXWIOULXIBS-UHFFFAOYSA-N 2 2 279.432 0.798 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C=C1CC[NH2+]CC1 ZINC000852859748 644027787 /nfs/dbraw/zinc/02/77/87/644027787.db2.gz ZGSJLIRPGIMQGO-GFCCVEGCSA-N 2 2 267.373 0.133 20 0 CCADLP [NH3+]C[C@H]1CC(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)=NO1 ZINC000852860550 644028417 /nfs/dbraw/zinc/02/84/17/644028417.db2.gz GRZPWZVEDAVXHT-VHSXEESVSA-N 2 2 277.328 0.219 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@H]([NH2+]CCF)C1 ZINC001018876559 650917649 /nfs/dbraw/zinc/91/76/49/650917649.db2.gz BWYBPBOFMHXMMS-LBPRGKRZSA-N 2 2 294.374 0.922 20 0 CCADLP Cn1ncc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)n1 ZINC000857085722 644462387 /nfs/dbraw/zinc/46/23/87/644462387.db2.gz GTWKXHVXKCSRQZ-OCCSQVGLSA-N 2 2 279.388 0.533 20 0 CCADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CC[C@H]([NH2+]CCO)C1 ZINC001019365457 650966024 /nfs/dbraw/zinc/96/60/24/650966024.db2.gz BZCIXLFSLXPWRL-QWRGUYRKSA-N 2 2 278.356 0.012 20 0 CCADLP CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2csnn2)C1)[NH+](C)C ZINC001019397425 650969296 /nfs/dbraw/zinc/96/92/96/650969296.db2.gz ZJFDPALYVLZLNL-JQWIXIFHSA-N 2 2 297.428 0.569 20 0 CCADLP O=C(/C=C/C[NH+]1CCOCC1)NC1CC[NH+](C2CC2)CC1 ZINC000864665469 645261557 /nfs/dbraw/zinc/26/15/57/645261557.db2.gz JPZHEPLSPGNFKF-OWOJBTEDSA-N 2 2 293.411 0.618 20 0 CCADLP Cn1ncc2cc(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)cnc21 ZINC000865426635 645366289 /nfs/dbraw/zinc/36/62/89/645366289.db2.gz CPOLZGYLQXDVMX-CQSZACIVSA-N 2 2 289.383 0.515 20 0 CCADLP C[C@H](CCc1cccnc1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000866249765 645511002 /nfs/dbraw/zinc/51/10/02/645511002.db2.gz NMCUURGJDQXRDK-CQSZACIVSA-N 2 2 290.411 0.766 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000866415057 645526445 /nfs/dbraw/zinc/52/64/45/645526445.db2.gz WHYKFNOAZRYVFF-KCQAQPDRSA-N 2 2 281.444 0.904 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000866415057 645526453 /nfs/dbraw/zinc/52/64/53/645526453.db2.gz WHYKFNOAZRYVFF-KCQAQPDRSA-N 2 2 281.444 0.904 20 0 CCADLP C[C@H]1C[NH+](C2CC2)C[C@H]1N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866415057 645526461 /nfs/dbraw/zinc/52/64/61/645526461.db2.gz WHYKFNOAZRYVFF-KCQAQPDRSA-N 2 2 281.444 0.904 20 0 CCADLP C[C@H]1C[NH+](C2CC2)C[C@H]1N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866415057 645526464 /nfs/dbraw/zinc/52/64/64/645526464.db2.gz WHYKFNOAZRYVFF-KCQAQPDRSA-N 2 2 281.444 0.904 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001020308495 651058454 /nfs/dbraw/zinc/05/84/54/651058454.db2.gz GEKPWWFYYPNLQH-FDYHWXHSSA-N 2 2 292.383 0.063 20 0 CCADLP O=S(=O)([C@@H]1CCC[NH2+]C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000923623348 646025540 /nfs/dbraw/zinc/02/55/40/646025540.db2.gz AFGBGXBPZUYESY-VXGBXAGGSA-N 2 2 298.412 0.671 20 0 CCADLP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@H]1C[N@H+](C)CCO1 ZINC000123952542 646208999 /nfs/dbraw/zinc/20/89/99/646208999.db2.gz LAPRDLHCPRYOFW-VXGBXAGGSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000123952542 646209006 /nfs/dbraw/zinc/20/90/06/646209006.db2.gz LAPRDLHCPRYOFW-VXGBXAGGSA-N 2 2 269.389 0.306 20 0 CCADLP Cc1conc1C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000872145860 646212149 /nfs/dbraw/zinc/21/21/49/646212149.db2.gz XFYJNPYFQLWJNQ-GFCCVEGCSA-N 2 2 276.344 0.870 20 0 CCADLP Cc1conc1C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000872145860 646212153 /nfs/dbraw/zinc/21/21/53/646212153.db2.gz XFYJNPYFQLWJNQ-GFCCVEGCSA-N 2 2 276.344 0.870 20 0 CCADLP FC(F)[C@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000872146498 646213243 /nfs/dbraw/zinc/21/32/43/646213243.db2.gz PFRCJGWOSJFFOZ-VHSXEESVSA-N 2 2 262.300 0.473 20 0 CCADLP FC(F)[C@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000872146498 646213247 /nfs/dbraw/zinc/21/32/47/646213247.db2.gz PFRCJGWOSJFFOZ-VHSXEESVSA-N 2 2 262.300 0.473 20 0 CCADLP C[C@@H](C[NH3+])Nc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000872775515 646321534 /nfs/dbraw/zinc/32/15/34/646321534.db2.gz SSKUIOLAKZLPGY-JTQLQIEISA-N 2 2 265.361 0.587 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873262496 646366864 /nfs/dbraw/zinc/36/68/64/646366864.db2.gz ZHJRJMYDIKWFLW-SBJFKYEJSA-N 3 2 267.417 0.874 20 0 CCADLP O=C(NCCn1cc[nH+]c1)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000874433538 646464369 /nfs/dbraw/zinc/46/43/69/646464369.db2.gz LNJHFCKVAXYKGI-CLLJXQQHSA-N 2 2 277.372 0.713 20 0 CCADLP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876535611 646622351 /nfs/dbraw/zinc/62/23/51/646622351.db2.gz OURQOHXHYFCCTN-PXHZSSHCSA-N 2 2 281.400 0.509 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876707470 646647096 /nfs/dbraw/zinc/64/70/96/646647096.db2.gz HIXPGEANKJZYGU-MNOVXSKESA-N 2 2 254.309 0.337 20 0 CCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876727706 646652133 /nfs/dbraw/zinc/65/21/33/646652133.db2.gz RPUSUVPNCRQHFA-RISCZKNCSA-N 2 2 294.374 0.826 20 0 CCADLP [NH3+]C[C@@H]1[C@H](C(=O)NCc2ccn3cc[nH+]c3c2)C1(F)F ZINC000876767999 646660438 /nfs/dbraw/zinc/66/04/38/646660438.db2.gz RGQIFHDSJOXUTE-MWLCHTKSSA-N 2 2 280.278 0.791 20 0 CCADLP O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000877386780 646808288 /nfs/dbraw/zinc/80/82/88/646808288.db2.gz WRYWFKRHPPCINX-KLTVKPSUSA-N 2 2 260.341 0.914 20 0 CCADLP O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000877386780 646808290 /nfs/dbraw/zinc/80/82/90/646808290.db2.gz WRYWFKRHPPCINX-KLTVKPSUSA-N 2 2 260.341 0.914 20 0 CCADLP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000877665499 646834013 /nfs/dbraw/zinc/83/40/13/646834013.db2.gz XOSDFQVKZFEBEY-MCIONIFRSA-N 2 2 297.443 0.869 20 0 CCADLP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000877665499 646834015 /nfs/dbraw/zinc/83/40/15/646834015.db2.gz XOSDFQVKZFEBEY-MCIONIFRSA-N 2 2 297.443 0.869 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)NC2CC[NH+](C)CC2)CC2(CCC2)O1 ZINC000878770598 646976425 /nfs/dbraw/zinc/97/64/25/646976425.db2.gz QLBARTJYHJLWPH-ZDUSSCGKSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)NC2CC[NH+](C)CC2)CC2(CCC2)O1 ZINC000878770598 646976428 /nfs/dbraw/zinc/97/64/28/646976428.db2.gz QLBARTJYHJLWPH-ZDUSSCGKSA-N 2 2 295.427 0.840 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCNC(=O)CC12CCC2 ZINC000880167409 647164869 /nfs/dbraw/zinc/16/48/69/647164869.db2.gz MQWJWKXKLGKWSE-UHFFFAOYSA-N 2 2 262.357 0.707 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCNC(=O)CC12CCC2 ZINC000880167409 647164871 /nfs/dbraw/zinc/16/48/71/647164871.db2.gz MQWJWKXKLGKWSE-UHFFFAOYSA-N 2 2 262.357 0.707 20 0 CCADLP OC1(C[N@@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)CCOCC1 ZINC000880203028 647169291 /nfs/dbraw/zinc/16/92/91/647169291.db2.gz AGNQYFOQXLAMJW-HNNXBMFYSA-N 2 2 298.427 0.761 20 0 CCADLP OC1(C[N@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)CCOCC1 ZINC000880203028 647169298 /nfs/dbraw/zinc/16/92/98/647169298.db2.gz AGNQYFOQXLAMJW-HNNXBMFYSA-N 2 2 298.427 0.761 20 0 CCADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000880251509 647175236 /nfs/dbraw/zinc/17/52/36/647175236.db2.gz ODVSXZDVHSEMMI-AWEZNQCLSA-N 2 2 295.427 0.971 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)N2CCC2)CCN1c1cc[nH+]cc1 ZINC000880262362 647176194 /nfs/dbraw/zinc/17/61/94/647176194.db2.gz XROOLXXFKAMOKA-CYBMUJFWSA-N 2 2 274.368 0.824 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)CCN1c1cc[nH+]cc1 ZINC000880262362 647176199 /nfs/dbraw/zinc/17/61/99/647176199.db2.gz XROOLXXFKAMOKA-CYBMUJFWSA-N 2 2 274.368 0.824 20 0 CCADLP Cc1nc(NCC[N@@H+](C)CCOCCO)cc[nH+]1 ZINC000882951485 647466996 /nfs/dbraw/zinc/46/69/96/647466996.db2.gz HJISCKLEAMCROK-UHFFFAOYSA-N 2 2 254.334 0.138 20 0 CCADLP Cc1nc(NCC[N@H+](C)CCOCCO)cc[nH+]1 ZINC000882951485 647467000 /nfs/dbraw/zinc/46/70/00/647467000.db2.gz HJISCKLEAMCROK-UHFFFAOYSA-N 2 2 254.334 0.138 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC[NH+](C[C@H](C)O)CC1 ZINC001006339732 647570797 /nfs/dbraw/zinc/57/07/97/647570797.db2.gz MJZCGLDZOOVDCR-NSHDSACASA-N 2 2 294.399 0.564 20 0 CCADLP [NH3+][C@H](CC1CC1)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000884196929 647665685 /nfs/dbraw/zinc/66/56/85/647665685.db2.gz FWMRIOSBWWBCAQ-ZIAGYGMSSA-N 2 2 281.400 0.437 20 0 CCADLP [NH3+][C@H](CC1CC1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000884405170 647729093 /nfs/dbraw/zinc/72/90/93/647729093.db2.gz JGKNMISAXJDEGN-QWHCGFSZSA-N 2 2 267.373 0.047 20 0 CCADLP Cc1n[nH]c(C[NH2+]C2(CCO)CC[NH+](C)CC2)c1C ZINC000886151541 647909308 /nfs/dbraw/zinc/90/93/08/647909308.db2.gz MDGFHKSXJMPSKF-UHFFFAOYSA-N 2 2 266.389 0.963 20 0 CCADLP O[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1O ZINC000886257583 647943514 /nfs/dbraw/zinc/94/35/14/647943514.db2.gz FJVTVFTWUTXRED-YOWGUQMCSA-N 2 2 273.336 0.846 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCc2cccnc21 ZINC000886641785 647993596 /nfs/dbraw/zinc/99/35/96/647993596.db2.gz RUTQKCZOCCJRHU-KGLIPLIRSA-N 2 2 288.395 0.998 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCc2cccnc21 ZINC000886641785 647993602 /nfs/dbraw/zinc/99/36/02/647993602.db2.gz RUTQKCZOCCJRHU-KGLIPLIRSA-N 2 2 288.395 0.998 20 0 CCADLP O=C(C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)NC1CC1 ZINC000886865114 648026143 /nfs/dbraw/zinc/02/61/43/648026143.db2.gz AINIRUUBONXQCK-AWEZNQCLSA-N 2 2 251.374 0.731 20 0 CCADLP O=C(C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)NC1CC1 ZINC000886865114 648026138 /nfs/dbraw/zinc/02/61/38/648026138.db2.gz AINIRUUBONXQCK-AWEZNQCLSA-N 2 2 251.374 0.731 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000887280994 648086510 /nfs/dbraw/zinc/08/65/10/648086510.db2.gz NECXYTOFUVYRCD-WDEREUQCSA-N 2 2 251.334 0.404 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889755876 648244550 /nfs/dbraw/zinc/24/45/50/648244550.db2.gz JLOCJEOTNYNLNF-KBPBESRZSA-N 2 2 292.383 0.020 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889755876 648244558 /nfs/dbraw/zinc/24/45/58/648244558.db2.gz JLOCJEOTNYNLNF-KBPBESRZSA-N 2 2 292.383 0.020 20 0 CCADLP C[C@H]1COC[C@H](C)C1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000924840731 648383908 /nfs/dbraw/zinc/38/39/08/648383908.db2.gz FUGZZIFVVGABMH-RYUDHWBXSA-N 2 2 269.389 0.021 20 0 CCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cc[nH]c(=O)c1 ZINC000924843410 648383947 /nfs/dbraw/zinc/38/39/47/648383947.db2.gz ZYSANCGKKVNBNF-NSHDSACASA-N 2 2 278.356 0.212 20 0 CCADLP C[C@H](C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)N1CC[NH+](C)CC1 ZINC000925497045 648439253 /nfs/dbraw/zinc/43/92/53/648439253.db2.gz SZEWKMCPMDGTFZ-GWNLFYIMSA-N 3 2 278.444 0.208 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925494537 648439362 /nfs/dbraw/zinc/43/93/62/648439362.db2.gz KLPQWTXMWBYGNR-MCIONIFRSA-N 3 2 294.443 0.433 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925494537 648439366 /nfs/dbraw/zinc/43/93/66/648439366.db2.gz KLPQWTXMWBYGNR-MCIONIFRSA-N 3 2 294.443 0.433 20 0 CCADLP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H]2C[NH2+]CCOC2)C[C@H](C)O1 ZINC000925568349 648443525 /nfs/dbraw/zinc/44/35/25/648443525.db2.gz JTSAGPRSDXTLEA-ZNMIVQPWSA-N 3 2 285.432 0.454 20 0 CCADLP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2C[NH2+]CCOC2)C[C@H](C)O1 ZINC000925568349 648443531 /nfs/dbraw/zinc/44/35/31/648443531.db2.gz JTSAGPRSDXTLEA-ZNMIVQPWSA-N 3 2 285.432 0.454 20 0 CCADLP CS(=O)(=O)N1CC[C@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925712864 648455882 /nfs/dbraw/zinc/45/58/82/648455882.db2.gz PZMKWQCZBLWOEP-RYUDHWBXSA-N 2 2 287.429 0.285 20 0 CCADLP CS(=O)(=O)N1CC[C@@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925712860 648456023 /nfs/dbraw/zinc/45/60/23/648456023.db2.gz PZMKWQCZBLWOEP-NEPJUHHUSA-N 2 2 287.429 0.285 20 0 CCADLP O=C1OC[C@]2(C[NH2+][C@@H]3CC[NH2+]C34CCC4)COCCN12 ZINC000925734429 648458332 /nfs/dbraw/zinc/45/83/32/648458332.db2.gz PILWOXVSSZUGHL-YPMHNXCESA-N 2 2 281.356 0.082 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CC(=O)N(CC2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000925773129 648460519 /nfs/dbraw/zinc/46/05/19/648460519.db2.gz XAHZSONWJJRGHK-RTXFEEFZSA-N 2 2 251.374 0.727 20 0 CCADLP FC(F)(F)CN1CCC[C@@H]1C[NH2+][C@H]1CC[NH2+]C1 ZINC000925835084 648465716 /nfs/dbraw/zinc/46/57/16/648465716.db2.gz MCKZTTTUMLICHM-VHSXEESVSA-N 2 2 251.296 0.965 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2cncnc2)CC1 ZINC000926093432 648485574 /nfs/dbraw/zinc/48/55/74/648485574.db2.gz PLKZXNGKQLBLAH-UHFFFAOYSA-N 2 2 264.333 0.021 20 0 CCADLP Cc1nnccc1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000926092193 648485853 /nfs/dbraw/zinc/48/58/53/648485853.db2.gz UMCSWCMVAVXVNR-UHFFFAOYSA-N 2 2 278.360 0.330 20 0 CCADLP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000926230822 648493856 /nfs/dbraw/zinc/49/38/56/648493856.db2.gz YDXRDXNXNOAFCT-WOPDTQHZSA-N 2 2 262.357 0.845 20 0 CCADLP O=C1C[C@H](C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CN1 ZINC000926577091 648511493 /nfs/dbraw/zinc/51/14/93/648511493.db2.gz SNUWNAQCMXFKSW-UPJWGTAASA-N 2 2 251.374 0.729 20 0 CCADLP O=C1C[C@H](C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CN1 ZINC000926577091 648511497 /nfs/dbraw/zinc/51/14/97/648511497.db2.gz SNUWNAQCMXFKSW-UPJWGTAASA-N 2 2 251.374 0.729 20 0 CCADLP O[C@H](C[NH+]1CCC(n2cc[nH+]c2)CC1)C1(O)CCC1 ZINC000929803179 648794071 /nfs/dbraw/zinc/79/40/71/648794071.db2.gz CUXLWEYGMYYAGI-CYBMUJFWSA-N 2 2 265.357 0.796 20 0 CCADLP CS(=O)(=O)N1CC(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000929992546 648809681 /nfs/dbraw/zinc/80/96/81/648809681.db2.gz TYCKVGZZQSNURO-GFCCVEGCSA-N 2 2 298.412 0.481 20 0 CCADLP CS(=O)(=O)N1CC(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000929992546 648809686 /nfs/dbraw/zinc/80/96/86/648809686.db2.gz TYCKVGZZQSNURO-GFCCVEGCSA-N 2 2 298.412 0.481 20 0 CCADLP O[C@@H](C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)C1(O)CCC1 ZINC000930320157 648849664 /nfs/dbraw/zinc/84/96/64/648849664.db2.gz RWPLWXIQOLJFBJ-GJZGRUSLSA-N 2 2 298.427 0.449 20 0 CCADLP O[C@@H](C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)C1(O)CCC1 ZINC000930320157 648849666 /nfs/dbraw/zinc/84/96/66/648849666.db2.gz RWPLWXIQOLJFBJ-GJZGRUSLSA-N 2 2 298.427 0.449 20 0 CCADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(=O)n4[nH]ccc4n3)C[C@@H]2C1 ZINC000931435519 648989233 /nfs/dbraw/zinc/98/92/33/648989233.db2.gz AQRNNEMPIPWFPO-NEPJUHHUSA-N 2 2 287.367 0.406 20 0 CCADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(=O)n4[nH]ccc4n3)C[C@@H]2C1 ZINC000931435519 648989237 /nfs/dbraw/zinc/98/92/37/648989237.db2.gz AQRNNEMPIPWFPO-NEPJUHHUSA-N 2 2 287.367 0.406 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(=O)n4[nH]ccc4n3)C[C@@H]2C1 ZINC000931435519 648989238 /nfs/dbraw/zinc/98/92/38/648989238.db2.gz AQRNNEMPIPWFPO-NEPJUHHUSA-N 2 2 287.367 0.406 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(=O)n4[nH]ccc4n3)C[C@@H]2C1 ZINC000931435519 648989243 /nfs/dbraw/zinc/98/92/43/648989243.db2.gz AQRNNEMPIPWFPO-NEPJUHHUSA-N 2 2 287.367 0.406 20 0 CCADLP CC1CC(C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000931488147 648995506 /nfs/dbraw/zinc/99/55/06/648995506.db2.gz PFDWDJZTJMETOC-UHFFFAOYSA-N 2 2 253.390 0.738 20 0 CCADLP CC1CC(C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000931488147 648995498 /nfs/dbraw/zinc/99/54/98/648995498.db2.gz PFDWDJZTJMETOC-UHFFFAOYSA-N 2 2 253.390 0.738 20 0 CCADLP C[C@H](CNC(=O)COC1CC[NH+](C)CC1)Cn1cc[nH+]c1 ZINC000933297889 649116307 /nfs/dbraw/zinc/11/63/07/649116307.db2.gz UJNVPODTIGPWNY-CYBMUJFWSA-N 2 2 294.399 0.746 20 0 CCADLP CC(C)[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH+]1CCOCC1 ZINC000158655520 649308947 /nfs/dbraw/zinc/30/89/47/649308947.db2.gz GICCCPPXLFZMGU-CQSZACIVSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H](C(=O)N1CC[NH+](CCCO)CC1)[NH+]1CCCCCC1 ZINC000951192218 649520635 /nfs/dbraw/zinc/52/06/35/649520635.db2.gz CDZDSHLGKMWXSR-OAHLLOKOSA-N 2 2 297.443 0.778 20 0 CCADLP COC[C@H](C)[NH+]1CCC(N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC001006476868 649541641 /nfs/dbraw/zinc/54/16/41/649541641.db2.gz WIZJKPBOBOWRDN-ZDUSSCGKSA-N 2 2 294.399 0.841 20 0 CCADLP NC(=O)c1cccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000252667274 649831320 /nfs/dbraw/zinc/83/13/20/649831320.db2.gz HXNOHGGLGIWNOP-GJZGRUSLSA-N 2 2 289.379 0.738 20 0 CCADLP NC(=O)c1cccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000252667274 649831323 /nfs/dbraw/zinc/83/13/23/649831323.db2.gz HXNOHGGLGIWNOP-GJZGRUSLSA-N 2 2 289.379 0.738 20 0 CCADLP Cn1ccc2c1nc[nH+]c2N1CCN2CC[NH2+]C[C@@H]2C1 ZINC001164392161 718830628 /nfs/dbraw/zinc/83/06/28/718830628.db2.gz NJRBAPYVXRRWOA-LLVKDONJSA-N 2 2 272.356 0.062 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NC1CC[NH+](CCCO)CC1 ZINC001230434200 805601360 /nfs/dbraw/zinc/60/13/60/805601360.db2.gz AADXBNWGHNDEGE-UHFFFAOYSA-N 2 2 294.399 0.626 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2Cc2cncs2)C1 ZINC001039027320 790406931 /nfs/dbraw/zinc/40/69/31/790406931.db2.gz JOIKDSQMXQDMFB-VXGBXAGGSA-N 2 2 294.424 0.785 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2Cc2cncs2)C1 ZINC001039027320 790406939 /nfs/dbraw/zinc/40/69/39/790406939.db2.gz JOIKDSQMXQDMFB-VXGBXAGGSA-N 2 2 294.424 0.785 20 0 CCADLP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2cncs2)C1 ZINC001039027320 790406944 /nfs/dbraw/zinc/40/69/44/790406944.db2.gz JOIKDSQMXQDMFB-VXGBXAGGSA-N 2 2 294.424 0.785 20 0 CCADLP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+]2Cc2cncs2)C1 ZINC001039027320 790406952 /nfs/dbraw/zinc/40/69/52/790406952.db2.gz JOIKDSQMXQDMFB-VXGBXAGGSA-N 2 2 294.424 0.785 20 0 CCADLP CCOC(=O)C1=C(O)CC[N@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208607975 790428032 /nfs/dbraw/zinc/42/80/32/790428032.db2.gz OKEXXLIBJKOEAW-STQMWFEESA-N 2 2 282.384 0.782 20 0 CCADLP CCOC(=O)C1=C(O)CC[N@@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208607975 790428036 /nfs/dbraw/zinc/42/80/36/790428036.db2.gz OKEXXLIBJKOEAW-STQMWFEESA-N 2 2 282.384 0.782 20 0 CCADLP CCOC(=O)C1=C(O)CC[NH+](C[C@H]2CCC[N@H+](C)C2)C1 ZINC001208607975 790428041 /nfs/dbraw/zinc/42/80/41/790428041.db2.gz OKEXXLIBJKOEAW-STQMWFEESA-N 2 2 282.384 0.782 20 0 CCADLP CCOC(=O)C1=C(O)CC[NH+](C[C@H]2CCC[N@@H+](C)C2)C1 ZINC001208607975 790428045 /nfs/dbraw/zinc/42/80/45/790428045.db2.gz OKEXXLIBJKOEAW-STQMWFEESA-N 2 2 282.384 0.782 20 0 CCADLP CC(=O)N1CC[N@@H+](C[C@H]2CCC[NH+](C)C2)C[C@@H]1C ZINC001208613938 790431436 /nfs/dbraw/zinc/43/14/36/790431436.db2.gz BXNXHNHOFFOFQI-JSGCOSHPSA-N 2 2 253.390 0.881 20 0 CCADLP CC(=O)N1CC[N@H+](C[C@H]2CCC[NH+](C)C2)C[C@@H]1C ZINC001208613938 790431444 /nfs/dbraw/zinc/43/14/44/790431444.db2.gz BXNXHNHOFFOFQI-JSGCOSHPSA-N 2 2 253.390 0.881 20 0 CCADLP CC(=O)N1CC[NH+](C[C@H]2CCC[N@H+](C)C2)C[C@@H]1C ZINC001208613938 790431450 /nfs/dbraw/zinc/43/14/50/790431450.db2.gz BXNXHNHOFFOFQI-JSGCOSHPSA-N 2 2 253.390 0.881 20 0 CCADLP CC(=O)N1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)C[C@@H]1C ZINC001208613938 790431452 /nfs/dbraw/zinc/43/14/52/790431452.db2.gz BXNXHNHOFFOFQI-JSGCOSHPSA-N 2 2 253.390 0.881 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CCCOC(C)C ZINC001149131065 790639430 /nfs/dbraw/zinc/63/94/30/790639430.db2.gz UCIAJBRSUBATHH-UHFFFAOYSA-N 2 2 282.388 0.782 20 0 CCADLP C[NH+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001209445969 790642231 /nfs/dbraw/zinc/64/22/31/790642231.db2.gz PFWIBGARRLXBHU-NSHDSACASA-N 2 2 297.428 0.570 20 0 CCADLP C[C@@H](O)C[NH2+]CC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001206872630 790665266 /nfs/dbraw/zinc/66/52/66/790665266.db2.gz MOULHPHJSIDAPD-GFCCVEGCSA-N 2 2 294.399 0.172 20 0 CCADLP Cc1c[nH+]c(N2C[C@H]3COC[C@@H](C2)C3[NH3+])nc1NC1CC1 ZINC001167184656 790682102 /nfs/dbraw/zinc/68/21/02/790682102.db2.gz ZDWLGZQSDGXTFI-QYJAPNMZSA-N 2 2 289.383 0.769 20 0 CCADLP C[C@@H]1C[C@@H](C[NH2+]CCCNC(=O)Cc2c[nH]c[nH+]2)CCO1 ZINC001167346153 790934618 /nfs/dbraw/zinc/93/46/18/790934618.db2.gz JMFMRFWLDBNBCO-OLZOCXBDSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@H]1C[C@@H](C[NH2+]CCCNC(=O)Cc2c[nH]c[nH+]2)CCO1 ZINC001167346155 790935039 /nfs/dbraw/zinc/93/50/39/790935039.db2.gz JMFMRFWLDBNBCO-STQMWFEESA-N 2 2 294.399 0.863 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC1(C[NH2+]CCO)CC1 ZINC001167426089 791059702 /nfs/dbraw/zinc/05/97/02/791059702.db2.gz PSWHADSEUWFGKT-LBPRGKRZSA-N 2 2 294.399 0.457 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC1(C[NH2+]CCO)CC1 ZINC001167426089 791059714 /nfs/dbraw/zinc/05/97/14/791059714.db2.gz PSWHADSEUWFGKT-LBPRGKRZSA-N 2 2 294.399 0.457 20 0 CCADLP CC[NH+](CC)CCN1CC[NH+](Cc2ccncn2)CC1 ZINC001140345817 791145436 /nfs/dbraw/zinc/14/54/36/791145436.db2.gz LIHLQIPNFPUPIQ-UHFFFAOYSA-N 2 2 277.416 0.936 20 0 CCADLP Cc1nnc(C[N@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)o1 ZINC001277566072 805853310 /nfs/dbraw/zinc/85/33/10/805853310.db2.gz DNPINIGPZXSPGZ-QWHCGFSZSA-N 2 2 279.388 0.446 20 0 CCADLP Cc1nnc(C[N@@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)o1 ZINC001277566072 805853320 /nfs/dbraw/zinc/85/33/20/805853320.db2.gz DNPINIGPZXSPGZ-QWHCGFSZSA-N 2 2 279.388 0.446 20 0 CCADLP CN1CCO[C@@]2(CCC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001277625627 805905286 /nfs/dbraw/zinc/90/52/86/805905286.db2.gz ZUWZUZJNDKLHIZ-HNNXBMFYSA-N 2 2 267.417 0.877 20 0 CCADLP CN1CCO[C@@]2(CCC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC001277625627 805905289 /nfs/dbraw/zinc/90/52/89/805905289.db2.gz ZUWZUZJNDKLHIZ-HNNXBMFYSA-N 2 2 267.417 0.877 20 0 CCADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2C1CC[NH+](C)CC1 ZINC001277626847 805906971 /nfs/dbraw/zinc/90/69/71/805906971.db2.gz DPCDGOFLZMBKHV-HOTGVXAUSA-N 3 2 280.460 0.791 20 0 CCADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2C1CC[NH+](C)CC1 ZINC001277626847 805906979 /nfs/dbraw/zinc/90/69/79/805906979.db2.gz DPCDGOFLZMBKHV-HOTGVXAUSA-N 3 2 280.460 0.791 20 0 CCADLP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC1CC1 ZINC001277630376 805908191 /nfs/dbraw/zinc/90/81/91/805908191.db2.gz ILOISLKBSIONCB-GOOCMWNKSA-N 2 2 294.443 0.412 20 0 CCADLP C[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC1CC1 ZINC001277630376 805908197 /nfs/dbraw/zinc/90/81/97/805908197.db2.gz ILOISLKBSIONCB-GOOCMWNKSA-N 2 2 294.443 0.412 20 0 CCADLP Cc1noc(C)c1C[NH2+]CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001266846625 791284634 /nfs/dbraw/zinc/28/46/34/791284634.db2.gz BJNNJCIPJSXDBS-UHFFFAOYSA-N 2 2 291.355 0.805 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CCCC[C@H]1C[NH2+]CCO ZINC001266872215 791313171 /nfs/dbraw/zinc/31/31/71/791313171.db2.gz IGIGVSZARPIUEA-ZDUSSCGKSA-N 2 2 294.399 0.316 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CC[C@H]1OC ZINC000724190596 791449190 /nfs/dbraw/zinc/44/91/90/791449190.db2.gz YUCMIHFDEUGMKW-YNEHKIRRSA-N 2 2 260.378 0.035 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CC[C@H]1OC ZINC000724190596 791449196 /nfs/dbraw/zinc/44/91/96/791449196.db2.gz YUCMIHFDEUGMKW-YNEHKIRRSA-N 2 2 260.378 0.035 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CC[C@H]1OC ZINC000724190596 791449200 /nfs/dbraw/zinc/44/92/00/791449200.db2.gz YUCMIHFDEUGMKW-YNEHKIRRSA-N 2 2 260.378 0.035 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CC[C@H]1OC ZINC000724190596 791449184 /nfs/dbraw/zinc/44/91/84/791449184.db2.gz YUCMIHFDEUGMKW-YNEHKIRRSA-N 2 2 260.378 0.035 20 0 CCADLP CC(C)OCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001267019092 791454951 /nfs/dbraw/zinc/45/49/51/791454951.db2.gz BBEMMJPOVXPDSU-ZDUSSCGKSA-N 2 2 294.399 0.958 20 0 CCADLP COCCC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001267044071 791475531 /nfs/dbraw/zinc/47/55/31/791475531.db2.gz ODLJEDIFVUWXRQ-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP COCCC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001267044071 791475538 /nfs/dbraw/zinc/47/55/38/791475538.db2.gz ODLJEDIFVUWXRQ-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP COCCC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001267073394 791504256 /nfs/dbraw/zinc/50/42/56/791504256.db2.gz SAIIXENTLIEFHT-ZDUSSCGKSA-N 2 2 280.372 0.358 20 0 CCADLP C[NH+]1CCN(C(=O)c2ccnc(-n3cccc3C[NH3+])c2)CC1 ZINC001167581535 791582113 /nfs/dbraw/zinc/58/21/13/791582113.db2.gz DUHWACZKZBWRIJ-UHFFFAOYSA-N 2 2 299.378 0.719 20 0 CCADLP Cc1cc(C[N@@H+](C)CCNC(=O)CC[NH+](C)C)on1 ZINC001267216215 791686376 /nfs/dbraw/zinc/68/63/76/791686376.db2.gz VVVXBGNUWOVNKW-UHFFFAOYSA-N 2 2 268.361 0.483 20 0 CCADLP Cc1cc(C[N@H+](C)CCNC(=O)CC[NH+](C)C)on1 ZINC001267216215 791686379 /nfs/dbraw/zinc/68/63/79/791686379.db2.gz VVVXBGNUWOVNKW-UHFFFAOYSA-N 2 2 268.361 0.483 20 0 CCADLP COC(=O)C[NH+]1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001277820641 806156469 /nfs/dbraw/zinc/15/64/69/806156469.db2.gz BWVYGEIOCYLRAY-UHFFFAOYSA-N 2 2 278.356 0.481 20 0 CCADLP Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@H+]3C[C@H](C)[NH3+])n1 ZINC001235531911 806446845 /nfs/dbraw/zinc/44/68/45/806446845.db2.gz KNICBQIALUONOP-TUKIKUTGSA-N 2 2 288.395 0.912 20 0 CCADLP Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3C[C@H](C)[NH3+])n1 ZINC001235531911 806446852 /nfs/dbraw/zinc/44/68/52/806446852.db2.gz KNICBQIALUONOP-TUKIKUTGSA-N 2 2 288.395 0.912 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1cccnc1 ZINC001235551753 806454929 /nfs/dbraw/zinc/45/49/29/806454929.db2.gz JRAFZFNTIAPUQI-BPLDGKMQSA-N 2 2 288.395 0.994 20 0 CCADLP C[C@@H]([NH3+])C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1cccnc1 ZINC001235551753 806454931 /nfs/dbraw/zinc/45/49/31/806454931.db2.gz JRAFZFNTIAPUQI-BPLDGKMQSA-N 2 2 288.395 0.994 20 0 CCADLP C[C@H]1CC[C@H]([NH2+]C2C[C@@H]3COC[C@H](C2)N3C)C[NH2+]1 ZINC001246083744 807146526 /nfs/dbraw/zinc/14/65/26/807146526.db2.gz JFOBSNHZWJDAQC-WSOGJNRSSA-N 2 2 253.390 0.578 20 0 CCADLP [NH3+]CC[N@@H+]1CC[C@]2(C[C@H]2C(=O)NCc2cccnc2)C1 ZINC001235610598 806472517 /nfs/dbraw/zinc/47/25/17/806472517.db2.gz CJZATRHNJSXBTF-ZFWWWQNUSA-N 2 2 274.368 0.369 20 0 CCADLP [NH3+]CC[N@H+]1CC[C@]2(C[C@H]2C(=O)NCc2cccnc2)C1 ZINC001235610598 806472522 /nfs/dbraw/zinc/47/25/22/806472522.db2.gz CJZATRHNJSXBTF-ZFWWWQNUSA-N 2 2 274.368 0.369 20 0 CCADLP CC(C)C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H]3C[NH2+]C(C)(C)O3)C[C@H]21 ZINC001235611379 806473693 /nfs/dbraw/zinc/47/36/93/806473693.db2.gz IOBJFSCYIKGHBF-WUHRBBMRSA-N 2 2 281.400 0.413 20 0 CCADLP CC(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H]3C[NH2+]C(C)(C)O3)C[C@H]21 ZINC001235611379 806473697 /nfs/dbraw/zinc/47/36/97/806473697.db2.gz IOBJFSCYIKGHBF-WUHRBBMRSA-N 2 2 281.400 0.413 20 0 CCADLP Cc1cc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cnc1F ZINC001235999143 806526844 /nfs/dbraw/zinc/52/68/44/806526844.db2.gz WRDAUHIKOZYUMO-FUNVUKJBSA-N 2 2 265.332 0.935 20 0 CCADLP Cc1cc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cnc1F ZINC001235999143 806526847 /nfs/dbraw/zinc/52/68/47/806526847.db2.gz WRDAUHIKOZYUMO-FUNVUKJBSA-N 2 2 265.332 0.935 20 0 CCADLP COC(=O)[C@@H]1CN(Cc2cccc3[nH+]ccn32)C[C@@H]1[NH3+] ZINC001236347720 806578626 /nfs/dbraw/zinc/57/86/26/806578626.db2.gz BXATXKKUBWOYQS-NEPJUHHUSA-N 2 2 274.324 0.266 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(C(=O)Nc3nnco3)CC2)CC1 ZINC001278090722 806656183 /nfs/dbraw/zinc/65/61/83/806656183.db2.gz RPHHYNKQJFIWHM-UHFFFAOYSA-N 2 2 293.371 0.814 20 0 CCADLP CCOC(=O)[C@H]1C[N@H+](C[C@H]2CCCC[NH2+]2)CCC12C[NH2+]C2 ZINC001237413284 806661015 /nfs/dbraw/zinc/66/10/15/806661015.db2.gz WBBMAIHDOGXIRB-ZIAGYGMSSA-N 3 2 295.427 0.603 20 0 CCADLP CCOC(=O)[C@H]1C[N@@H+](C[C@H]2CCCC[NH2+]2)CCC12C[NH2+]C2 ZINC001237413284 806661021 /nfs/dbraw/zinc/66/10/21/806661021.db2.gz WBBMAIHDOGXIRB-ZIAGYGMSSA-N 3 2 295.427 0.603 20 0 CCADLP CC(C)c1nc(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)no1 ZINC001246121977 807159510 /nfs/dbraw/zinc/15/95/10/807159510.db2.gz DFWFTHZIVZWMGC-JTQLQIEISA-N 2 2 265.361 0.377 20 0 CCADLP CSCCCN(C)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001120647670 798902435 /nfs/dbraw/zinc/90/24/35/798902435.db2.gz ALQWODCLIVQPAA-UHFFFAOYSA-N 2 2 288.461 0.804 20 0 CCADLP [NH3+]CC[C@H](NC(=O)Cc1[nH]cc[nH+]1)C(F)(F)F ZINC001121943596 799103951 /nfs/dbraw/zinc/10/39/51/799103951.db2.gz KOWPIKGSNUMEJH-LURJTMIESA-N 2 2 250.224 0.348 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC001121993013 799115805 /nfs/dbraw/zinc/11/58/05/799115805.db2.gz OINYNXKHCHVPER-CKYFFXLPSA-N 2 2 250.346 0.845 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC001121993013 799115810 /nfs/dbraw/zinc/11/58/10/799115810.db2.gz OINYNXKHCHVPER-CKYFFXLPSA-N 2 2 250.346 0.845 20 0 CCADLP Nc1cc(C(=O)NCC[NH+]2CCC([NH3+])CC2)ccc1F ZINC001122157707 799157631 /nfs/dbraw/zinc/15/76/31/799157631.db2.gz UDQZXSHBIQRNIT-UHFFFAOYSA-N 2 2 280.347 0.561 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC001122174750 799161413 /nfs/dbraw/zinc/16/14/13/799161413.db2.gz UDCATAJXNJCWFA-UPJWGTAASA-N 2 2 269.389 0.211 20 0 CCADLP Cc1noc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001124867701 799641627 /nfs/dbraw/zinc/64/16/27/799641627.db2.gz YAQCMQWUFZTXHJ-ONGXEEELSA-N 2 2 281.360 0.239 20 0 CCADLP Cc1noc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001124867701 799641630 /nfs/dbraw/zinc/64/16/30/799641630.db2.gz YAQCMQWUFZTXHJ-ONGXEEELSA-N 2 2 281.360 0.239 20 0 CCADLP CC1(C[NH3+])C[NH+](Cc2ccccc2N2CC[NH2+]CC2)C1 ZINC001206723228 799697903 /nfs/dbraw/zinc/69/79/03/799697903.db2.gz MONIFYUEMYWSJY-UHFFFAOYSA-N 3 2 274.412 0.877 20 0 CCADLP CCOCCC[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001203057921 799930699 /nfs/dbraw/zinc/93/06/99/799930699.db2.gz CQTORVZTKKKOPX-UHFFFAOYSA-N 2 2 294.399 0.959 20 0 CCADLP COC[C@H](C)[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001203059471 799936776 /nfs/dbraw/zinc/93/67/76/799936776.db2.gz SRDZFFVDRHFGGL-NSHDSACASA-N 2 2 280.372 0.568 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](Cc2c[nH]c3cc[nH+]cc23)CCN1C ZINC001140804734 799943319 /nfs/dbraw/zinc/94/33/19/799943319.db2.gz CALNHGBMNRVYGK-AWEZNQCLSA-N 2 2 288.351 0.852 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CCN1C ZINC001140804734 799943322 /nfs/dbraw/zinc/94/33/22/799943322.db2.gz CALNHGBMNRVYGK-AWEZNQCLSA-N 2 2 288.351 0.852 20 0 CCADLP O=C1NC[C@@H]2CC[N@@H+](Cc3ccn4cc[nH+]c4c3)C[C@H]12 ZINC001141045864 799975227 /nfs/dbraw/zinc/97/52/27/799975227.db2.gz BWWSDSXWWPOJMV-STQMWFEESA-N 2 2 270.336 0.902 20 0 CCADLP Cc1ccc(C)c(S(=O)(=O)NCC[NH2+]CC[NH3+])c1 ZINC001238839626 806812243 /nfs/dbraw/zinc/81/22/43/806812243.db2.gz UKZAOIDNEZLAME-UHFFFAOYSA-N 2 2 271.386 0.130 20 0 CCADLP CCC[N@@H+]1CCCO[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001149827988 800302016 /nfs/dbraw/zinc/30/20/16/800302016.db2.gz QCIBKTWZMLAPSN-AWEZNQCLSA-N 2 2 294.399 0.959 20 0 CCADLP CCC[N@H+]1CCCO[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001149827988 800302021 /nfs/dbraw/zinc/30/20/21/800302021.db2.gz QCIBKTWZMLAPSN-AWEZNQCLSA-N 2 2 294.399 0.959 20 0 CCADLP CCC[N@@H+]1CCCO[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001149827988 800302030 /nfs/dbraw/zinc/30/20/30/800302030.db2.gz QCIBKTWZMLAPSN-AWEZNQCLSA-N 2 2 294.399 0.959 20 0 CCADLP CCC[N@H+]1CCCO[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001149827988 800302034 /nfs/dbraw/zinc/30/20/34/800302034.db2.gz QCIBKTWZMLAPSN-AWEZNQCLSA-N 2 2 294.399 0.959 20 0 CCADLP CC(C)[N@@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150824410 800371249 /nfs/dbraw/zinc/37/12/49/800371249.db2.gz LFDFUKOTXHSSAJ-ZDUSSCGKSA-N 2 2 280.372 0.499 20 0 CCADLP CC(C)[N@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150824410 800371256 /nfs/dbraw/zinc/37/12/56/800371256.db2.gz LFDFUKOTXHSSAJ-ZDUSSCGKSA-N 2 2 280.372 0.499 20 0 CCADLP O=C(CCCC[NH+]1CCCC1)NCC[NH2+]Cc1cnon1 ZINC001153314869 800620213 /nfs/dbraw/zinc/62/02/13/800620213.db2.gz QWHWGXWCPHOJCU-UHFFFAOYSA-N 2 2 295.387 0.542 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NCC[NH2+]CC[C@@H]1CCCO1 ZINC001153345385 800624507 /nfs/dbraw/zinc/62/45/07/800624507.db2.gz TVHMRMITUSKTEY-AWEZNQCLSA-N 2 2 294.399 0.938 20 0 CCADLP CC[C@H](C[NH2+]CCNC(=O)CCCn1cc[nH+]c1)OC ZINC001153344372 800624872 /nfs/dbraw/zinc/62/48/72/800624872.db2.gz AFMYECPBKWGAGD-CYBMUJFWSA-N 2 2 282.388 0.794 20 0 CCADLP Nc1ccc(NCc2nnc3n2CCC[NH2+]C3)[nH+]c1 ZINC001155424455 800972333 /nfs/dbraw/zinc/97/23/33/800972333.db2.gz BOBBKNAOIPEWSW-UHFFFAOYSA-N 2 2 259.317 0.361 20 0 CCADLP Cc1nc(N(C)C)nc(N[C@H]2COCCC23C[NH2+]C3)[nH+]1 ZINC001155467022 800981531 /nfs/dbraw/zinc/98/15/31/800981531.db2.gz APWWQVKRDWRSJH-JTQLQIEISA-N 2 2 278.360 0.036 20 0 CCADLP CN(C)c1cc(NC[C@]23C[NH2+]C[C@H]2COC3)[nH+]cn1 ZINC001155509925 800994893 /nfs/dbraw/zinc/99/48/93/800994893.db2.gz MJMPMWUUMKEEIC-GWCFXTLKSA-N 2 2 263.345 0.191 20 0 CCADLP CN(C)c1cc(NC[C@]23C[NH2+]C[C@H]2COC3)nc[nH+]1 ZINC001155509925 800994900 /nfs/dbraw/zinc/99/49/00/800994900.db2.gz MJMPMWUUMKEEIC-GWCFXTLKSA-N 2 2 263.345 0.191 20 0 CCADLP c1ncn(Cc2ccc(NC[C@@]34C[NH2+][C@@H](CO3)C4)[nH+]c2)n1 ZINC001155543934 801002839 /nfs/dbraw/zinc/00/28/39/801002839.db2.gz UZRCFBODSCKYBO-TZMCWYRMSA-N 2 2 286.339 0.264 20 0 CCADLP c1cc(N[C@H]2C[NH+]3CCC2CC3)nc(N2CCOCC2)[nH+]1 ZINC001155667645 801033917 /nfs/dbraw/zinc/03/39/17/801033917.db2.gz LFPHEPPQJUJUEE-ZDUSSCGKSA-N 2 2 289.383 0.819 20 0 CCADLP O=C(CNc1ccc(N2CC[NH2+]CC2)c[nH+]1)N1CCCC1 ZINC001156346611 801154692 /nfs/dbraw/zinc/15/46/92/801154692.db2.gz CDICWUNECKPSOD-UHFFFAOYSA-N 2 2 289.383 0.526 20 0 CCADLP Nc1cc(CNc2cncc(N3CC[NH2+]CC3)n2)cc[nH+]1 ZINC001156756780 801231769 /nfs/dbraw/zinc/23/17/69/801231769.db2.gz GIFYJHWKWNNWKS-UHFFFAOYSA-N 2 2 285.355 0.476 20 0 CCADLP Cc1nnc(C[NH2+]CCCNC(=O)CCc2[nH]cc[nH+]2)[nH]1 ZINC001157264793 801336254 /nfs/dbraw/zinc/33/62/54/801336254.db2.gz KNZYVJOSDOCXLB-UHFFFAOYSA-N 2 2 291.359 0.065 20 0 CCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC(=O)[C@@H]2CCCC[C@H]21 ZINC001157567424 801422512 /nfs/dbraw/zinc/42/25/12/801422512.db2.gz LVPBWSPQUQTGRC-MEBFFEOJSA-N 2 2 291.395 0.297 20 0 CCADLP Nc1cc(CC(=O)N2CCC[C@@](F)(C[NH3+])CC2)cc[nH+]1 ZINC001157756314 801473434 /nfs/dbraw/zinc/47/34/34/801473434.db2.gz WZCPMAUNKFCHRC-AWEZNQCLSA-N 2 2 280.347 0.886 20 0 CCADLP C[C@@H]1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CCC1(F)F ZINC001157849353 801500595 /nfs/dbraw/zinc/50/05/95/801500595.db2.gz USOMPOMPADVYFM-NTZNESFSSA-N 2 2 287.354 0.832 20 0 CCADLP C[C@@H]1CC[C@@H](CO)CN1C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001157855798 801503508 /nfs/dbraw/zinc/50/35/08/801503508.db2.gz PZSBOVALJXHMAY-JMSVASOKSA-N 2 2 291.395 0.878 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc3c(n2)OCC(=O)N3)CC1 ZINC001157914926 801519161 /nfs/dbraw/zinc/51/91/61/801519161.db2.gz HQYALQADIUHADL-UHFFFAOYSA-N 2 2 290.327 0.007 20 0 CCADLP Cc1nc(NC(=[NH2+])N2CC[NH+](C)CC2)cc(N(C)C)n1 ZINC001157915181 801520037 /nfs/dbraw/zinc/52/00/37/801520037.db2.gz TVVPQJMIKXDNBK-UHFFFAOYSA-N 2 2 277.376 0.445 20 0 CCADLP CCOCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C ZINC001278301866 806916397 /nfs/dbraw/zinc/91/63/97/806916397.db2.gz QCKNXZPIOHTCFY-DGCLKSJQSA-N 2 2 280.372 0.568 20 0 CCADLP C[C@]1(CF)CC(F)(F)CN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001157952630 801538505 /nfs/dbraw/zinc/53/85/05/801538505.db2.gz VTTNKTIXVXJYAJ-UXCLJVHYSA-N 2 2 291.317 0.532 20 0 CCADLP C[C@@]1(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)COCC[NH2+]1 ZINC001157970560 801543789 /nfs/dbraw/zinc/54/37/89/801543789.db2.gz QXGYPBQCGXDTMI-HOCLYGCPSA-N 2 2 289.379 0.538 20 0 CCADLP O=C([C@@H]1[NH2+]CCS1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157971288 801544004 /nfs/dbraw/zinc/54/40/04/801544004.db2.gz XDTXQDDGHQDVKX-CHWSQXEVSA-N 2 2 277.393 0.822 20 0 CCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158194399 801587644 /nfs/dbraw/zinc/58/76/44/801587644.db2.gz VSBNFIGWQSEKMS-GRYCIOLGSA-N 2 2 260.341 0.408 20 0 CCADLP O=C(N1C[C@H]2[C@H](CC2(F)F)C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158192599 801587862 /nfs/dbraw/zinc/58/78/62/801587862.db2.gz AJGAFSXFGQDACQ-FYLLDIAZSA-N 2 2 271.311 0.052 20 0 CCADLP COCOc1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1 ZINC001158206374 801594086 /nfs/dbraw/zinc/59/40/86/801594086.db2.gz LKKNRWGCMJNOEX-SNVBAGLBSA-N 2 2 278.312 0.112 20 0 CCADLP CC(C)(C)Oc1ccnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158206430 801594165 /nfs/dbraw/zinc/59/41/65/801594165.db2.gz NZOCKJPOUMOBAV-SNVBAGLBSA-N 2 2 291.355 0.702 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Nc2cc(-n3ccnc3)cc[nH+]2)C[NH2+]1 ZINC001158256502 801607410 /nfs/dbraw/zinc/60/74/10/801607410.db2.gz NRFGHFTUHXXYNN-PWSUYJOCSA-N 2 2 287.323 0.583 20 0 CCADLP C[N@H+](CCO)C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001158654075 801678660 /nfs/dbraw/zinc/67/86/60/801678660.db2.gz OCYQCGVRVCFVPM-GFCCVEGCSA-N 2 2 280.372 0.257 20 0 CCADLP C[N@@H+](CCO)C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001158654075 801678663 /nfs/dbraw/zinc/67/86/63/801678663.db2.gz OCYQCGVRVCFVPM-GFCCVEGCSA-N 2 2 280.372 0.257 20 0 CCADLP C[C@@H](Nc1ccc(Cn2cncn2)c[nH+]1)[C@@H]1C[NH2+]CCO1 ZINC001159501805 801826277 /nfs/dbraw/zinc/82/62/77/801826277.db2.gz JWFLAMYWCVFXSX-YPMHNXCESA-N 2 2 288.355 0.510 20 0 CCADLP CC[C@H](C[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1)OC ZINC001159537156 801831274 /nfs/dbraw/zinc/83/12/74/801831274.db2.gz MNAOYILTRPHMNE-CYBMUJFWSA-N 2 2 282.388 0.863 20 0 CCADLP CC[C@H](C[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1)OC ZINC001159537156 801831279 /nfs/dbraw/zinc/83/12/79/801831279.db2.gz MNAOYILTRPHMNE-CYBMUJFWSA-N 2 2 282.388 0.863 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCCC1=CC[N@H+](CCO)CC1 ZINC001159972197 801895318 /nfs/dbraw/zinc/89/53/18/801895318.db2.gz JDLHRNYZHQUMGV-UHFFFAOYSA-N 2 2 292.383 0.473 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCCC1=CC[N@@H+](CCO)CC1 ZINC001159972197 801895322 /nfs/dbraw/zinc/89/53/22/801895322.db2.gz JDLHRNYZHQUMGV-UHFFFAOYSA-N 2 2 292.383 0.473 20 0 CCADLP CC[NH+](CC)C1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001160478051 801947440 /nfs/dbraw/zinc/94/74/40/801947440.db2.gz IYQOWAIHLPGROO-AWEZNQCLSA-N 3 2 293.415 0.612 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1Cc1ccccn1 ZINC001160544164 801966706 /nfs/dbraw/zinc/96/67/06/801966706.db2.gz HKDKRDGPMZAFEM-LSDHHAIUSA-N 2 2 299.378 0.908 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1Cc1ccccn1 ZINC001160544162 801967132 /nfs/dbraw/zinc/96/71/32/801967132.db2.gz HKDKRDGPMZAFEM-GJZGRUSLSA-N 2 2 299.378 0.908 20 0 CCADLP COC(C)(C)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001160582265 801976169 /nfs/dbraw/zinc/97/61/69/801976169.db2.gz LGPPKFPTCAUKKO-STQMWFEESA-N 2 2 294.399 0.706 20 0 CCADLP CCN(CC(=O)OC(C)(C)C)C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001160680436 801999097 /nfs/dbraw/zinc/99/90/97/801999097.db2.gz OLLIPUJKKKSDRV-HFAKWTLXSA-N 2 2 297.399 0.398 20 0 CCADLP CN(Cc1ccon1)C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001160688006 802000998 /nfs/dbraw/zinc/00/09/98/802000998.db2.gz LMUCMVZXJAVJMK-ZDUSSCGKSA-N 2 2 274.324 0.905 20 0 CCADLP CN(CC1CCCCC1)C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160714264 802009404 /nfs/dbraw/zinc/00/94/04/802009404.db2.gz PDBYXCMTQJLHHP-HIFRSBDPSA-N 2 2 265.401 0.977 20 0 CCADLP CN(CC1CCCCC1)C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160714268 802009559 /nfs/dbraw/zinc/00/95/59/802009559.db2.gz PDBYXCMTQJLHHP-ZFWWWQNUSA-N 2 2 265.401 0.977 20 0 CCADLP c1nc2c(c(N[C@H]3CCC[C@H]3[NH+]3CCOCC3)n1)C[NH2+]C2 ZINC001160722969 802009969 /nfs/dbraw/zinc/00/99/69/802009969.db2.gz JEMWXMUCZIRNGJ-GXTWGEPZSA-N 2 2 289.383 0.745 20 0 CCADLP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001160846659 802028602 /nfs/dbraw/zinc/02/86/02/802028602.db2.gz VPLUFTQKVXSYFS-NSHDSACASA-N 3 2 265.361 0.182 20 0 CCADLP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001160846659 802028593 /nfs/dbraw/zinc/02/85/93/802028593.db2.gz VPLUFTQKVXSYFS-NSHDSACASA-N 3 2 265.361 0.182 20 0 CCADLP CN(C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161057769 802077927 /nfs/dbraw/zinc/07/79/27/802077927.db2.gz GCXTZGRNUFXMKI-GRYCIOLGSA-N 3 2 265.361 0.008 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N(Cc2cc[nH]n2)Cc2ccccc2)C1 ZINC001161166113 802103900 /nfs/dbraw/zinc/10/39/00/802103900.db2.gz YBKSFYQOIFPHFO-HIFRSBDPSA-N 2 2 299.378 0.628 20 0 CCADLP COCCC[NH2+]CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001161215639 802108992 /nfs/dbraw/zinc/10/89/92/802108992.db2.gz XWOUZSCXVHCXJE-ZDUSSCGKSA-N 2 2 294.399 0.578 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC001161417435 802151344 /nfs/dbraw/zinc/15/13/44/802151344.db2.gz VAYLWFWPTLNSJL-AJNGGQMLSA-N 3 2 288.395 0.454 20 0 CCADLP [NH3+]Cc1ccc(S(=O)(=O)Nc2cnc(C[NH3+])nc2)cc1 ZINC001161752247 802215487 /nfs/dbraw/zinc/21/54/87/802215487.db2.gz PXQDCENYLPCLAQ-UHFFFAOYSA-N 2 2 293.352 0.195 20 0 CCADLP [NH3+]Cc1ccc(S(=O)(=O)Nc2cccc(C[NH3+])n2)cc1 ZINC001161751265 802216231 /nfs/dbraw/zinc/21/62/31/802216231.db2.gz BJHWAQFCGZOBLU-UHFFFAOYSA-N 2 2 292.364 0.800 20 0 CCADLP CN(C)c1cccc(NCC[NH+]2CCC([NH3+])CC2)[nH+]1 ZINC001161867269 802233645 /nfs/dbraw/zinc/23/36/45/802233645.db2.gz MTLYNTPZLVENJS-UHFFFAOYSA-N 3 2 263.389 0.983 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(NCC(=O)NC3CC3)c2)C1 ZINC001161897608 802242247 /nfs/dbraw/zinc/24/22/47/802242247.db2.gz QQEVNJJOURFIFW-CYBMUJFWSA-N 2 2 288.395 0.910 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(NCC(=O)NC3CC3)c2)C1 ZINC001161897608 802242255 /nfs/dbraw/zinc/24/22/55/802242255.db2.gz QQEVNJJOURFIFW-CYBMUJFWSA-N 2 2 288.395 0.910 20 0 CCADLP C[C@H](O)C[NH2+]CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001162427169 802338490 /nfs/dbraw/zinc/33/84/90/802338490.db2.gz CCUKNDOSINUESL-NSHDSACASA-N 2 2 276.340 0.425 20 0 CCADLP Nc1cn2ccc(NCc3nnc4n3CCC[NH2+]C4)cc2[nH+]1 ZINC001163017316 802460640 /nfs/dbraw/zinc/46/06/40/802460640.db2.gz FIFQUGHSYIZYRT-UHFFFAOYSA-N 2 2 298.354 0.613 20 0 CCADLP C/C=C(\NC=[NH2+])[NH2+]C[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163269389 802526011 /nfs/dbraw/zinc/52/60/11/802526011.db2.gz KAXSOOJOHXFLDU-KIAJGEDSSA-N 3 2 252.362 0.793 20 0 CCADLP COCCOCC[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163593038 802574421 /nfs/dbraw/zinc/57/44/21/802574421.db2.gz CGDGGLIIZFSRKJ-UHFFFAOYSA-N 2 2 298.387 0.032 20 0 CCADLP Cc1[nH+]cn(-c2ccc(N(CC[NH3+])CCO)nn2)c1C ZINC001163832327 802622059 /nfs/dbraw/zinc/62/20/59/802622059.db2.gz MVFJVVFONBFOFL-UHFFFAOYSA-N 2 2 276.344 0.037 20 0 CCADLP COC(=O)Cc1cc(-n2nc(C[NH3+])cc2C)cc[nH+]1 ZINC001163986065 802645861 /nfs/dbraw/zinc/64/58/61/802645861.db2.gz QNLRAIZRWKPHRY-UHFFFAOYSA-N 2 2 260.297 0.750 20 0 CCADLP OC[C@H]1C[C@H](F)CN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC001164043809 802660055 /nfs/dbraw/zinc/66/00/55/802660055.db2.gz OLUHISCGTNNMGE-STQMWFEESA-N 2 2 294.374 0.648 20 0 CCADLP CO[C@H](C)C[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001264997207 809691260 /nfs/dbraw/zinc/69/12/60/809691260.db2.gz ZLDWUXGLCIODEH-JHJVBQTASA-N 2 2 294.399 0.986 20 0 CCADLP CO[C@H](C)C[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001264997207 809691265 /nfs/dbraw/zinc/69/12/65/809691265.db2.gz ZLDWUXGLCIODEH-JHJVBQTASA-N 2 2 294.399 0.986 20 0 CCADLP CO[C@H](C)C[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001264997207 809691268 /nfs/dbraw/zinc/69/12/68/809691268.db2.gz ZLDWUXGLCIODEH-JHJVBQTASA-N 2 2 294.399 0.986 20 0 CCADLP CO[C@H](C)C[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001264997207 809691273 /nfs/dbraw/zinc/69/12/73/809691273.db2.gz ZLDWUXGLCIODEH-JHJVBQTASA-N 2 2 294.399 0.986 20 0 CCADLP Cn1cnc(NCC2([NH+](C)C)CC[NH+](C)CC2)c1 ZINC001164211742 802688556 /nfs/dbraw/zinc/68/85/56/802688556.db2.gz RGFCVVCFFGDGGD-UHFFFAOYSA-N 2 2 251.378 0.858 20 0 CCADLP Cn1cc(NCC2([NH+](C)C)CC[NH+](C)CC2)cc(F)c1=O ZINC001164216454 802689486 /nfs/dbraw/zinc/68/94/86/802689486.db2.gz BXDOJLXREDALNI-UHFFFAOYSA-N 2 2 296.390 0.962 20 0 CCADLP Cn1cc(NCC2([NH+](C)C)CC[NH+](C)CC2)cnc1=O ZINC001164213244 802689601 /nfs/dbraw/zinc/68/96/01/802689601.db2.gz QORNYZLKWRNANX-UHFFFAOYSA-N 2 2 279.388 0.218 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Nc2ccc([C@H](C)[NH3+])nc2)C[NH2+]1 ZINC001164310979 802718554 /nfs/dbraw/zinc/71/85/54/802718554.db2.gz DZBSVBXJUVPEKK-PEXQALLHSA-N 2 2 264.329 0.417 20 0 CCADLP C[C@@H](O)C[NH2+]CC1(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001164334241 802726218 /nfs/dbraw/zinc/72/62/18/802726218.db2.gz BLGSZMWYKNKCKR-GFCCVEGCSA-N 2 2 294.399 0.599 20 0 CCADLP c1cc(N2CC[C@@H]3COC[C@@H]3C2)[nH+]cc1N1CC[NH2+]CC1 ZINC001165269720 802807946 /nfs/dbraw/zinc/80/79/46/802807946.db2.gz QKSQTGZCHKHASU-KGLIPLIRSA-N 2 2 288.395 0.964 20 0 CCADLP COc1ccc(C)[nH+]c1N1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001165270604 802809448 /nfs/dbraw/zinc/80/94/48/802809448.db2.gz HFDUDAFXHXAQMW-AAEUAGOBSA-N 2 2 263.341 0.966 20 0 CCADLP COc1nc(C)cc(-n2c(C)[nH+]c3c2CC[NH2+]CC3)n1 ZINC001165353497 802826056 /nfs/dbraw/zinc/82/60/56/802826056.db2.gz PKUXHMCWJPFYIB-UHFFFAOYSA-N 2 2 273.340 0.976 20 0 CCADLP Cc1[nH+]c2c(n1-c1ccc3c(n1)OCC(=O)N3)CC[NH2+]CC2 ZINC001165352588 802826210 /nfs/dbraw/zinc/82/62/10/802826210.db2.gz DGKCGECICKHIAF-UHFFFAOYSA-N 2 2 299.334 0.595 20 0 CCADLP Nc1cc(N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)[nH+]cn1 ZINC001165433609 802839211 /nfs/dbraw/zinc/83/92/11/802839211.db2.gz OQMCDTNLRHHLJM-DTWKUNHWSA-N 2 2 251.309 0.572 20 0 CCADLP CCc1cc(N2CCC([NH3+])(C(=O)OC)CC2)nc(C)[nH+]1 ZINC001166797318 802962782 /nfs/dbraw/zinc/96/27/82/802962782.db2.gz NORJSCARRXCPIU-UHFFFAOYSA-N 2 2 278.356 0.818 20 0 CCADLP COCC[NH2+][C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001203803701 803045986 /nfs/dbraw/zinc/04/59/86/803045986.db2.gz OFJZIAQOSDLUFM-CHWSQXEVSA-N 2 2 292.383 0.547 20 0 CCADLP CO[C@@H](C)C[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001204076861 803062417 /nfs/dbraw/zinc/06/24/17/803062417.db2.gz XDBOSKRCZBYVBB-LBPRGKRZSA-N 2 2 280.372 0.499 20 0 CCADLP CC(C)OCC[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001204092823 803064039 /nfs/dbraw/zinc/06/40/39/803064039.db2.gz SFMWBZGGLYDNIY-UHFFFAOYSA-N 2 2 294.399 0.889 20 0 CCADLP Cc1c(C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)cnn1C ZINC001204577515 803092148 /nfs/dbraw/zinc/09/21/48/803092148.db2.gz XHQBMHCIONVFSW-CQSZACIVSA-N 2 2 293.415 0.371 20 0 CCADLP COC(=O)[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001204847820 803105034 /nfs/dbraw/zinc/10/50/34/803105034.db2.gz HCYPLNUNHHEVCB-MNOVXSKESA-N 2 2 256.346 0.596 20 0 CCADLP COC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001204847820 803105038 /nfs/dbraw/zinc/10/50/38/803105038.db2.gz HCYPLNUNHHEVCB-MNOVXSKESA-N 2 2 256.346 0.596 20 0 CCADLP COc1ncc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)s1 ZINC001205680993 803154655 /nfs/dbraw/zinc/15/46/55/803154655.db2.gz DDPSHMRLTJOBSP-GFCCVEGCSA-N 2 2 271.386 0.827 20 0 CCADLP COc1ncc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)s1 ZINC001205680993 803154659 /nfs/dbraw/zinc/15/46/59/803154659.db2.gz DDPSHMRLTJOBSP-GFCCVEGCSA-N 2 2 271.386 0.827 20 0 CCADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1C[C@@H]2COC[C@@H]21 ZINC001205933294 803187290 /nfs/dbraw/zinc/18/72/90/803187290.db2.gz RRRHWCGVUDSLFH-MQYQWHSLSA-N 2 2 254.374 0.458 20 0 CCADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1C[C@@H]2COC[C@@H]21 ZINC001205933294 803187293 /nfs/dbraw/zinc/18/72/93/803187293.db2.gz RRRHWCGVUDSLFH-MQYQWHSLSA-N 2 2 254.374 0.458 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2)C[C@H]1O ZINC001205953031 803190584 /nfs/dbraw/zinc/19/05/84/803190584.db2.gz HQHVKWLNKOWDGD-ZIAGYGMSSA-N 2 2 272.352 0.971 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C[C@H]1O ZINC001205953031 803190588 /nfs/dbraw/zinc/19/05/88/803190588.db2.gz HQHVKWLNKOWDGD-ZIAGYGMSSA-N 2 2 272.352 0.971 20 0 CCADLP CN(C)C(=O)CN1CC2(C1)C[NH+](C[C@H]1CCC[N@H+](C)C1)C2 ZINC001276497475 803292571 /nfs/dbraw/zinc/29/25/71/803292571.db2.gz WWVRVVUMXIUZNC-AWEZNQCLSA-N 2 2 294.443 0.034 20 0 CCADLP CN(C)C(=O)CN1CC2(C1)C[NH+](C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001276497475 803292575 /nfs/dbraw/zinc/29/25/75/803292575.db2.gz WWVRVVUMXIUZNC-AWEZNQCLSA-N 2 2 294.443 0.034 20 0 CCADLP C[NH+]1CCN(C2C[NH+](Cc3ccc[nH]c3=O)C2)CC1 ZINC001207010850 803332780 /nfs/dbraw/zinc/33/27/80/803332780.db2.gz YGEVLAVYJNSRNM-UHFFFAOYSA-N 2 2 262.357 0.219 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](Cc2cccc(=O)[nH]2)CCC1=O ZINC001207073153 803347367 /nfs/dbraw/zinc/34/73/67/803347367.db2.gz GHYVCTNTMJSHTC-UHFFFAOYSA-N 2 2 292.383 0.383 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](Cc2cccc(=O)[nH]2)CCC1=O ZINC001207073153 803347371 /nfs/dbraw/zinc/34/73/71/803347371.db2.gz GHYVCTNTMJSHTC-UHFFFAOYSA-N 2 2 292.383 0.383 20 0 CCADLP C[NH+]1CCN(C2CN(CC(C)(C)[NH+]3CCOCC3)C2)CC1 ZINC001207304720 803382616 /nfs/dbraw/zinc/38/26/16/803382616.db2.gz GELHMKNOPJLBNA-UHFFFAOYSA-N 2 2 296.459 0.029 20 0 CCADLP C[NH+]1CCN(C2C[NH+](CC(C)(C)N3CCOCC3)C2)CC1 ZINC001207304720 803382623 /nfs/dbraw/zinc/38/26/23/803382623.db2.gz GELHMKNOPJLBNA-UHFFFAOYSA-N 2 2 296.459 0.029 20 0 CCADLP C[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001207438485 803399057 /nfs/dbraw/zinc/39/90/57/803399057.db2.gz SXGQWHURCBMNNW-DGCLKSJQSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001207438485 803399063 /nfs/dbraw/zinc/39/90/63/803399063.db2.gz SXGQWHURCBMNNW-DGCLKSJQSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001207438485 803399069 /nfs/dbraw/zinc/39/90/69/803399069.db2.gz SXGQWHURCBMNNW-DGCLKSJQSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001207438485 803399074 /nfs/dbraw/zinc/39/90/74/803399074.db2.gz SXGQWHURCBMNNW-DGCLKSJQSA-N 2 2 280.372 0.161 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@@H]([NH2+]CCCO)C1 ZINC001208299446 803502723 /nfs/dbraw/zinc/50/27/23/803502723.db2.gz OHWDRZKSGMRGMR-CYBMUJFWSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@@H]([NH2+]CCCO)C1 ZINC001208299446 803502724 /nfs/dbraw/zinc/50/27/24/803502724.db2.gz OHWDRZKSGMRGMR-CYBMUJFWSA-N 2 2 280.372 0.305 20 0 CCADLP C[C@@H]1C[N@H+](Cc2ncccn2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492554 803518488 /nfs/dbraw/zinc/51/84/88/803518488.db2.gz NAKBKTKILZOCOV-CHWSQXEVSA-N 2 2 291.399 0.365 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2ncccn2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492554 803518493 /nfs/dbraw/zinc/51/84/93/803518493.db2.gz NAKBKTKILZOCOV-CHWSQXEVSA-N 2 2 291.399 0.365 20 0 CCADLP Cc1nccc(C[NH+]2CC3(C2)CCN(CC[NH+](C)C)C3)n1 ZINC001276630006 803587254 /nfs/dbraw/zinc/58/72/54/803587254.db2.gz RAQWYHWNZDCLQF-UHFFFAOYSA-N 2 2 289.427 0.854 20 0 CCADLP C[N@@H+]1C[C@H]2CCCN(CC[NH+]3CCOCC3)[C@H]2C1 ZINC001209295605 803591045 /nfs/dbraw/zinc/59/10/45/803591045.db2.gz ZSGSDBCZSMOIMR-KGLIPLIRSA-N 2 2 253.390 0.345 20 0 CCADLP C[N@H+]1C[C@H]2CCCN(CC[NH+]3CCOCC3)[C@H]2C1 ZINC001209295605 803591047 /nfs/dbraw/zinc/59/10/47/803591047.db2.gz ZSGSDBCZSMOIMR-KGLIPLIRSA-N 2 2 253.390 0.345 20 0 CCADLP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC001209732725 803626212 /nfs/dbraw/zinc/62/62/12/803626212.db2.gz LVWBLKDIZXMJMV-LBPRGKRZSA-N 2 2 258.329 0.923 20 0 CCADLP Nc1cc[nH+]cc1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC001209732725 803626214 /nfs/dbraw/zinc/62/62/14/803626214.db2.gz LVWBLKDIZXMJMV-LBPRGKRZSA-N 2 2 258.329 0.923 20 0 CCADLP [NH3+][C@H]1NC(CN2CC[NH2+][C@H](Cc3ccccc3)C2)=CS1 ZINC001210265771 803645104 /nfs/dbraw/zinc/64/51/04/803645104.db2.gz ANPKITRLTPEHBK-HIFRSBDPSA-N 2 2 290.436 0.923 20 0 CCADLP CCCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](OC)C1 ZINC001213243838 803686134 /nfs/dbraw/zinc/68/61/34/803686134.db2.gz MEWWSSSGPIGBPK-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP CCCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](OC)C1 ZINC001213243838 803686137 /nfs/dbraw/zinc/68/61/37/803686137.db2.gz MEWWSSSGPIGBPK-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@H]1CCC[N@@H+]1CCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000897517763 814966088 /nfs/dbraw/zinc/96/60/88/814966088.db2.gz CHXCNTJEFWRYAY-NWDGAFQWSA-N 2 2 277.372 0.591 20 0 CCADLP C[C@H]1CCC[N@H+]1CCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000897517763 814966092 /nfs/dbraw/zinc/96/60/92/814966092.db2.gz CHXCNTJEFWRYAY-NWDGAFQWSA-N 2 2 277.372 0.591 20 0 CCADLP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001216065678 803833227 /nfs/dbraw/zinc/83/32/27/803833227.db2.gz SFRNNTGHHWXVIZ-GRYCIOLGSA-N 2 2 280.372 0.424 20 0 CCADLP C[N@@H+]1CCN(S(=O)(=O)C2C[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000405117021 803864013 /nfs/dbraw/zinc/86/40/13/803864013.db2.gz XPLPFOSDBAHEIO-AWEZNQCLSA-N 2 2 295.408 0.277 20 0 CCADLP C[N@H+]1CCN(S(=O)(=O)C2C[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000405117021 803864024 /nfs/dbraw/zinc/86/40/24/803864024.db2.gz XPLPFOSDBAHEIO-AWEZNQCLSA-N 2 2 295.408 0.277 20 0 CCADLP FC1(F)C[NH2+]C[C@H](OC[C@@H]2C[C@H]3CC[NH2+]C[C@@H]3O2)C1 ZINC001217856365 803920915 /nfs/dbraw/zinc/92/09/15/803920915.db2.gz PHCQDOMMKUMJKC-KXNHARMFSA-N 2 2 276.327 0.767 20 0 CCADLP [NH3+]CC(=O)c1ccc(O[C@@H]2C[NH2+]CC2(F)F)cc1 ZINC001218236972 803943304 /nfs/dbraw/zinc/94/33/04/803943304.db2.gz KYDKUIOBGBBONW-LLVKDONJSA-N 2 2 256.252 0.814 20 0 CCADLP Cc1cnc(C)c(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)n1 ZINC001218496671 803963151 /nfs/dbraw/zinc/96/31/51/803963151.db2.gz OFMOFYDWQBIXOQ-SNVBAGLBSA-N 2 2 260.301 0.325 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1noc2cccnc21 ZINC001218502429 803969873 /nfs/dbraw/zinc/96/98/73/803969873.db2.gz DXJGPPVWBNIKQK-VIFPVBQESA-N 2 2 286.295 0.465 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1ncnc2sccc21 ZINC001218514487 803978569 /nfs/dbraw/zinc/97/85/69/803978569.db2.gz ACTTUFMAWYFPJR-UHFFFAOYSA-N 2 2 291.380 0.971 20 0 CCADLP Cc1nc2ccccn2c1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218589612 804023577 /nfs/dbraw/zinc/02/35/77/804023577.db2.gz BXAODPKOYLHNLC-ZJUUUORDSA-N 2 2 259.313 0.270 20 0 CCADLP Nc1cc[nH+]c(-c2cc(NC(=O)[C@@H]3C[NH2+]CCN3)ccn2)c1 ZINC001218613132 804032994 /nfs/dbraw/zinc/03/29/94/804032994.db2.gz LMQXCDFSXIVOGG-AWEZNQCLSA-N 2 2 298.350 0.226 20 0 CCADLP Nc1cc[nH+]c(-c2cc(NC(=O)[C@H]3[NH2+]CC[C@H]3O)ccn2)c1 ZINC001218612851 804034127 /nfs/dbraw/zinc/03/41/27/804034127.db2.gz HXPPBKFXKHZNHD-KGLIPLIRSA-N 2 2 299.334 0.387 20 0 CCADLP C[NH+](C)CCCC[C@H]([NH3+])C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001218619758 804037432 /nfs/dbraw/zinc/03/74/32/804037432.db2.gz FNWVZNBTSKWVKD-ZDUSSCGKSA-N 3 2 290.411 0.990 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccc[nH]c1=S ZINC001218622812 804038025 /nfs/dbraw/zinc/03/80/25/804038025.db2.gz WFGWGWHSRAQBFS-VIFPVBQESA-N 2 2 277.353 0.612 20 0 CCADLP Cn1cc(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)nn1 ZINC001218629401 804046186 /nfs/dbraw/zinc/04/61/86/804046186.db2.gz WFEUWJBQVGFBMF-JTQLQIEISA-N 2 2 260.301 0.026 20 0 CCADLP Cc1cc(C)n2nc(NC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)cc2n1 ZINC001218628834 804047018 /nfs/dbraw/zinc/04/70/18/804047018.db2.gz SOGJMCGEAYNEJB-NSHDSACASA-N 2 2 299.338 0.578 20 0 CCADLP CC(=O)Nc1cc(NC(=O)C[NH2+]C2CC[NH2+]CC2)ccn1 ZINC001218650072 804061503 /nfs/dbraw/zinc/06/15/03/804061503.db2.gz NCGJLEGADSPLEU-UHFFFAOYSA-N 2 2 291.355 0.320 20 0 CCADLP CN(C(=O)C1([NH3+])CC[NH2+]CC1)c1nc(Cl)ccc1N ZINC001218682478 804080236 /nfs/dbraw/zinc/08/02/36/804080236.db2.gz IJURNZMIAPGMEY-UHFFFAOYSA-N 2 2 283.763 0.361 20 0 CCADLP COc1cnc(Cl)c(NC(=O)C[NH2+]C2CC[NH2+]CC2)n1 ZINC001218721435 804096680 /nfs/dbraw/zinc/09/66/80/804096680.db2.gz XMLJYNMIKNVQNJ-UHFFFAOYSA-N 2 2 299.762 0.419 20 0 CCADLP Cc1cc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cnc1OC(C)C ZINC001218760432 804114443 /nfs/dbraw/zinc/11/44/43/804114443.db2.gz UDRBANRIZMSXFY-PWSUYJOCSA-N 2 2 278.356 0.805 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc(-c2ccccc2)cnn1 ZINC001218777918 804117878 /nfs/dbraw/zinc/11/78/78/804117878.db2.gz NSAXPQHOFOBJAG-STQMWFEESA-N 2 2 283.335 0.629 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1cccn2nccc12 ZINC001218788418 804119330 /nfs/dbraw/zinc/11/93/30/804119330.db2.gz NPWCNDGRSKAXGG-UHFFFAOYSA-N 2 2 273.340 0.614 20 0 CCADLP COc1cc(NC(=O)C2([NH3+])CC[NH2+]CC2)c(C)cn1 ZINC001218791237 804120573 /nfs/dbraw/zinc/12/05/73/804120573.db2.gz DQZOFPSXRDLAGS-UHFFFAOYSA-N 2 2 264.329 0.418 20 0 CCADLP COc1cc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc(OC)c1 ZINC001218809428 804129769 /nfs/dbraw/zinc/12/97/69/804129769.db2.gz PYYYERCMZNXZAY-RYUDHWBXSA-N 2 2 265.313 0.189 20 0 CCADLP COC(=O)c1cc(OC)ccc1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218821233 804134010 /nfs/dbraw/zinc/13/40/10/804134010.db2.gz GJSVRAHDKUCVNM-JTQLQIEISA-N 2 2 281.312 0.096 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1ccccc1CO ZINC001218830485 804134897 /nfs/dbraw/zinc/13/48/97/804134897.db2.gz VJELBFOTGCBPCO-UHFFFAOYSA-N 2 2 263.341 0.459 20 0 CCADLP O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1C[NH2+]CCN1 ZINC001218847528 804138388 /nfs/dbraw/zinc/13/83/88/804138388.db2.gz ICGANUIACYJWDX-AWEZNQCLSA-N 2 2 285.351 0.431 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cccc(Cn3cccn3)c2)C1 ZINC001218848587 804139417 /nfs/dbraw/zinc/13/94/17/804139417.db2.gz ACFXWTVUPYRXLR-OCCSQVGLSA-N 2 2 285.351 0.559 20 0 CCADLP CC(=O)Nc1ccc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc1Cl ZINC001218873188 804143782 /nfs/dbraw/zinc/14/37/82/804143782.db2.gz GSWDWZCTJMPJLX-JTQLQIEISA-N 2 2 284.747 0.913 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1cccc2nccnc21 ZINC001218910793 804155075 /nfs/dbraw/zinc/15/50/75/804155075.db2.gz QBKURMYYEDWWON-UHFFFAOYSA-N 2 2 285.351 0.910 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1ccc2c(c1)CCO2 ZINC001218915081 804156385 /nfs/dbraw/zinc/15/63/85/804156385.db2.gz KRPOECFXOIIMPG-UHFFFAOYSA-N 2 2 275.352 0.902 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccccc1-c1cnco1 ZINC001218928299 804159566 /nfs/dbraw/zinc/15/95/66/804159566.db2.gz SLGPSZVHIMBLOG-QWRGUYRKSA-N 2 2 272.308 0.827 20 0 CCADLP NC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc1Cl ZINC001218951704 804165617 /nfs/dbraw/zinc/16/56/17/804165617.db2.gz RGZFXXRBPYYPOZ-LDWIPMOCSA-N 2 2 282.731 0.067 20 0 CCADLP CC(=O)Oc1ccc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc1 ZINC001219100904 804197752 /nfs/dbraw/zinc/19/77/52/804197752.db2.gz AJCMLTJPQPXNPU-NSHDSACASA-N 2 2 251.286 0.227 20 0 CCADLP Cc1cc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc2snnc21 ZINC001219183981 804228682 /nfs/dbraw/zinc/22/86/82/804228682.db2.gz DVMAYHHLCBMJPS-QMMMGPOBSA-N 2 2 265.342 0.614 20 0 CCADLP COCCOc1c(F)cccc1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001219307108 804266043 /nfs/dbraw/zinc/26/60/43/804266043.db2.gz MVVBMHHPRIXAJN-JTQLQIEISA-N 2 2 285.319 0.466 20 0 CCADLP [NH3+]Cc1ccc(NC(=O)[C@H](CO)n2cc[nH+]c2)cc1 ZINC001219343792 804279358 /nfs/dbraw/zinc/27/93/58/804279358.db2.gz UCKGOMXLIHYWBS-LBPRGKRZSA-N 2 2 260.297 0.514 20 0 CCADLP Cc1cccnc1CNC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001219564065 804352551 /nfs/dbraw/zinc/35/25/51/804352551.db2.gz QCPNNVCKMHEMDY-LLVKDONJSA-N 2 2 259.313 0.299 20 0 CCADLP C[NH2+][C@@H](CC(C)C)C(=O)NCCc1cn(C)c[nH+]1 ZINC001219633684 804381877 /nfs/dbraw/zinc/38/18/77/804381877.db2.gz BZDYDAKPIQVBDO-LBPRGKRZSA-N 2 2 252.362 0.713 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)[C@@H]2C[C@@H](F)CC[NH2+]2)c1 ZINC001219633125 804383107 /nfs/dbraw/zinc/38/31/07/804383107.db2.gz XVJACTHXLQNWFC-ONGXEEELSA-N 2 2 254.309 0.169 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000313211454 804383722 /nfs/dbraw/zinc/38/37/22/804383722.db2.gz JQXKDIOYPCGRCQ-PWSUYJOCSA-N 2 2 250.346 0.467 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001219642606 804388414 /nfs/dbraw/zinc/38/84/14/804388414.db2.gz VQDRUPPJOUARAQ-XQQFMLRXSA-N 2 2 276.384 0.807 20 0 CCADLP CC[N@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001219853160 804433203 /nfs/dbraw/zinc/43/32/03/804433203.db2.gz HQSFBBOMOJBVIE-RDBSUJKOSA-N 2 2 294.399 0.652 20 0 CCADLP CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001219853160 804433208 /nfs/dbraw/zinc/43/32/08/804433208.db2.gz HQSFBBOMOJBVIE-RDBSUJKOSA-N 2 2 294.399 0.652 20 0 CCADLP O=C(NCc1cccnc1C1CC[NH2+]CC1)C1(F)C[NH2+]C1 ZINC001219929809 804449658 /nfs/dbraw/zinc/44/96/58/804449658.db2.gz SAEYKAGQPGMPHX-UHFFFAOYSA-N 2 2 292.358 0.476 20 0 CCADLP O=C(NCc1n[nH]c2ccccc21)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220045383 804482235 /nfs/dbraw/zinc/48/22/35/804482235.db2.gz XSHYMONBJKBNFQ-TVYUQYBPSA-N 2 2 285.351 0.129 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cccc(F)n1 ZINC001220125045 804506419 /nfs/dbraw/zinc/50/64/19/804506419.db2.gz WAWMHILHNCQVSV-JTQLQIEISA-N 2 2 263.276 0.130 20 0 CCADLP C[C@@H](CCCC(C)(C)O)NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220243118 804547095 /nfs/dbraw/zinc/54/70/95/804547095.db2.gz PKELLZDWTBFDFN-AAEUAGOBSA-N 2 2 296.415 0.736 20 0 CCADLP Cc1[nH+]c[nH]c1CSCCNC(=O)[C@@H]1CC[NH2+]1 ZINC001220256656 804553473 /nfs/dbraw/zinc/55/34/73/804553473.db2.gz AXGMEFIIYBCVMS-VIFPVBQESA-N 2 2 254.359 0.429 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC001220274974 804558302 /nfs/dbraw/zinc/55/83/02/804558302.db2.gz STWHWOSFVUPRKJ-YPMHNXCESA-N 2 2 280.372 0.534 20 0 CCADLP Cc1cccn2cc(CNC(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4[NH2+]3)nc12 ZINC001220278043 804560268 /nfs/dbraw/zinc/56/02/68/804560268.db2.gz AERAXWUIXBZMMB-FPMFFAJLSA-N 2 2 299.378 0.209 20 0 CCADLP C[C@@H](NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)c1cnn(C)c1 ZINC001220308159 804567891 /nfs/dbraw/zinc/56/78/91/804567891.db2.gz DUPAIVSWNJMFJP-QMTHXVAHSA-N 2 2 287.367 0.870 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c2ccccc21 ZINC001220331742 804576360 /nfs/dbraw/zinc/57/63/60/804576360.db2.gz CCXJWEZMTFEDSR-NZPIUUIZSA-N 2 2 259.353 0.898 20 0 CCADLP O=C(N[C@@H]1CNc2ccccc2C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220599040 804636235 /nfs/dbraw/zinc/63/62/35/804636235.db2.gz KLCQLHQDFJJUHB-NZBPQXDJSA-N 2 2 286.379 0.089 20 0 CCADLP Cn1nc(CNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)c2ccccc21 ZINC001220632093 804639810 /nfs/dbraw/zinc/63/98/10/804639810.db2.gz KLMWGFSDXNKKCS-ZBEGNZNMSA-N 2 2 299.378 0.141 20 0 CCADLP COCc1ccc(CNC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)cc1 ZINC001220933977 804701914 /nfs/dbraw/zinc/70/19/14/804701914.db2.gz FVQRXKUJMQUEFE-CQSZACIVSA-N 2 2 288.351 0.742 20 0 CCADLP N=c1ncc(C[NH3+])cn1C(=O)[C@@H]([NH3+])c1ccsc1 ZINC001220950779 804704361 /nfs/dbraw/zinc/70/43/61/804704361.db2.gz FYIYTSBWRZTFEN-VIFPVBQESA-N 2 2 263.326 0.223 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@@H]2COc3ccc(Cl)cc32)C1 ZINC001220955728 804707705 /nfs/dbraw/zinc/70/77/05/804707705.db2.gz OPSULJVISAOZET-DVVUODLYSA-N 2 2 281.743 0.579 20 0 CCADLP Cc1cc2c(cn1)[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])CC2 ZINC001220960159 804709104 /nfs/dbraw/zinc/70/91/04/804709104.db2.gz JQJYRYXQTCHXGP-RWMBFGLXSA-N 2 2 260.341 0.040 20 0 CCADLP [NH3+]C1(C(=O)NC[C@@H]2CCc3ccccc32)CC[NH2+]CC1 ZINC001221100308 804729775 /nfs/dbraw/zinc/72/97/75/804729775.db2.gz HJGBNTDMEINYBX-ZDUSSCGKSA-N 2 2 273.380 0.914 20 0 CCADLP C[N@@H+]1CCC[C@](C)(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)C1 ZINC001221243998 804756079 /nfs/dbraw/zinc/75/60/79/804756079.db2.gz ODYIAHJSJMULGJ-HOCLYGCPSA-N 3 2 290.411 0.859 20 0 CCADLP C[N@H+]1CCC[C@](C)(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)C1 ZINC001221243998 804756081 /nfs/dbraw/zinc/75/60/81/804756081.db2.gz ODYIAHJSJMULGJ-HOCLYGCPSA-N 3 2 290.411 0.859 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCC[C@H]2COc3ccccc3O2)C1 ZINC001221295741 804770033 /nfs/dbraw/zinc/77/00/33/804770033.db2.gz QCDZIAHNGMJGRH-WOPDTQHZSA-N 2 2 291.351 0.022 20 0 CCADLP CC(C)[C@@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)c1cccc(N)n1 ZINC001221404739 804806611 /nfs/dbraw/zinc/80/66/11/804806611.db2.gz FEHJCLYDSOQSQG-SUZMYJTESA-N 2 2 277.372 0.166 20 0 CCADLP CC(C)OCC[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222097872 804867895 /nfs/dbraw/zinc/86/78/95/804867895.db2.gz IGRFREXSOZGCSE-AWEZNQCLSA-N 2 2 294.399 0.889 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222099508 804868873 /nfs/dbraw/zinc/86/88/73/804868873.db2.gz YINVCPCGCHSWRA-OLZOCXBDSA-N 2 2 280.372 0.499 20 0 CCADLP C[NH+](C)CCN1CCC2(C[NH+](Cc3cnc(N)s3)C2)C1 ZINC001276850453 804938927 /nfs/dbraw/zinc/93/89/27/804938927.db2.gz RHMFDRXFFATSSI-UHFFFAOYSA-N 2 2 295.456 0.795 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OCC2CC[NH+](C)CC2)C[N@@H+]1C ZINC001224452822 805038754 /nfs/dbraw/zinc/03/87/54/805038754.db2.gz HKSYWNIZRVNNMZ-OLZOCXBDSA-N 2 2 270.373 0.591 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OCC2CC[NH+](C)CC2)C[N@H+]1C ZINC001224452822 805038763 /nfs/dbraw/zinc/03/87/63/805038763.db2.gz HKSYWNIZRVNNMZ-OLZOCXBDSA-N 2 2 270.373 0.591 20 0 CCADLP CO[C@@H](C)C[NH+]1CCC(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001224666493 805068495 /nfs/dbraw/zinc/06/84/95/805068495.db2.gz XQOAFAGKUKQRKJ-LBPRGKRZSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[NH+]1CCC(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001224957735 805096271 /nfs/dbraw/zinc/09/62/71/805096271.db2.gz MCSDKJDNNBCZHO-UHFFFAOYSA-N 2 2 280.372 0.427 20 0 CCADLP O=C(N[C@H]1C[C@H](C[NH2+]CCO)C1)c1cccc2[nH+]ccn21 ZINC001277014535 805100247 /nfs/dbraw/zinc/10/02/47/805100247.db2.gz QMHHVGKRYJQTJC-HAQNSBGRSA-N 2 2 288.351 0.425 20 0 CCADLP CCC[NH2+]CCN(CCO)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001272196441 815058802 /nfs/dbraw/zinc/05/88/02/815058802.db2.gz KSFADGXHUMFTAK-UHFFFAOYSA-N 2 2 296.415 0.747 20 0 CCADLP C[NH+](C)CCC(=O)NC1CC[NH+](Cc2cnns2)CC1 ZINC001229008811 805497073 /nfs/dbraw/zinc/49/70/73/805497073.db2.gz XNDMBGMMHKQZGK-UHFFFAOYSA-N 2 2 297.428 0.570 20 0 CCADLP C[C@H]1[NH2+]CCC[C@@H]1C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001245985050 807106632 /nfs/dbraw/zinc/10/66/32/807106632.db2.gz SFMDBKAZPCROLY-UPJWGTAASA-N 3 2 257.422 0.713 20 0 CCADLP C[C@H]1C[NH2+]C[C@@H](C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)C1 ZINC001245987899 807108384 /nfs/dbraw/zinc/10/83/84/807108384.db2.gz CXLCMBPMIOUNAE-AGIUHOORSA-N 3 2 257.422 0.571 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@@H]1C[NH2+]CC[C@H]1C ZINC001245986847 807108807 /nfs/dbraw/zinc/10/88/07/807108807.db2.gz ZXXRTZYGDSTEOR-HZSPNIEDSA-N 3 2 257.422 0.524 20 0 CCADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](C[C@@H](O)COCc1ccccc1)C2 ZINC001246032975 807128388 /nfs/dbraw/zinc/12/83/88/807128388.db2.gz NKQWWUQOSFHWKW-ARFHVFGLSA-N 2 2 276.380 0.987 20 0 CCADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](C[C@@H](O)COCc1ccccc1)C2 ZINC001246032975 807128393 /nfs/dbraw/zinc/12/83/93/807128393.db2.gz NKQWWUQOSFHWKW-ARFHVFGLSA-N 2 2 276.380 0.987 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](C[C@@H](O)COCC(F)(F)C(F)F)C1 ZINC001246068682 807140180 /nfs/dbraw/zinc/14/01/80/807140180.db2.gz IZKKQYOPDSOLQN-HTQZYQBOSA-N 2 2 274.258 0.297 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](C[C@@H](O)COCC(F)(F)C(F)F)C1 ZINC001246068682 807140182 /nfs/dbraw/zinc/14/01/82/807140182.db2.gz IZKKQYOPDSOLQN-HTQZYQBOSA-N 2 2 274.258 0.297 20 0 CCADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246073949 807142791 /nfs/dbraw/zinc/14/27/91/807142791.db2.gz LZXPMDFMBSHELO-OLZOCXBDSA-N 3 2 252.406 0.154 20 0 CCADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246073949 807142797 /nfs/dbraw/zinc/14/27/97/807142797.db2.gz LZXPMDFMBSHELO-OLZOCXBDSA-N 3 2 252.406 0.154 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H](C)C[NH2+]2)CN1 ZINC001246102265 807154011 /nfs/dbraw/zinc/15/40/11/807154011.db2.gz CFIMYOLOHCKPII-RFGFWPKPSA-N 2 2 283.416 0.648 20 0 CCADLP CC(=O)N1CCC[C@H]([NH2+]C[C@H]2CC[C@H](C)C[NH2+]2)C1 ZINC001246108952 807154924 /nfs/dbraw/zinc/15/49/24/807154924.db2.gz XDKLXFVGBLFMRY-YUTCNCBUSA-N 2 2 253.390 0.975 20 0 CCADLP CC[C@@]1(C(=O)OC)C[C@H](N[C@H]2CCCC[NH2+]C2)C[NH2+]1 ZINC001246113421 807156473 /nfs/dbraw/zinc/15/64/73/807156473.db2.gz AOKIZLPLVNURLA-OBJOEFQTSA-N 2 2 269.389 0.402 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001246140258 807163405 /nfs/dbraw/zinc/16/34/05/807163405.db2.gz GKAFSTQQIGKOJV-MGPQQGTHSA-N 3 2 295.427 0.792 20 0 CCADLP C[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001246142603 807164673 /nfs/dbraw/zinc/16/46/73/807164673.db2.gz JKAVPCSKCJMZFZ-GJZGRUSLSA-N 3 2 280.460 0.935 20 0 CCADLP C[N@H+]1CCC[C@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001246142603 807164678 /nfs/dbraw/zinc/16/46/78/807164678.db2.gz JKAVPCSKCJMZFZ-GJZGRUSLSA-N 3 2 280.460 0.935 20 0 CCADLP C([NH2+][C@H]1CCSC1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246145123 807166529 /nfs/dbraw/zinc/16/65/29/807166529.db2.gz LSQKYVDHSSHBJR-NEPJUHHUSA-N 3 2 255.431 0.956 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]C[C@@H]2[C@H](N[C@@H]3CC[C@H](C)[NH2+]C3)CC[C@@H]21 ZINC001246148131 807167997 /nfs/dbraw/zinc/16/79/97/807167997.db2.gz DVNKIBXKYZRYII-HGPDSQILSA-N 2 2 295.427 0.646 20 0 CCADLP FC(F)(F)C(F)(F)C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246165224 807173782 /nfs/dbraw/zinc/17/37/82/807173782.db2.gz ZSEZDOICZCMXBJ-ZETCQYMHSA-N 2 2 273.249 0.868 20 0 CCADLP CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246183170 807179533 /nfs/dbraw/zinc/17/95/33/807179533.db2.gz FIFGZQKQNWBUBZ-OLZOCXBDSA-N 2 2 283.416 0.648 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@]2(C)CCC[NH2+]C2)CN1 ZINC001246186805 807180999 /nfs/dbraw/zinc/18/09/99/807180999.db2.gz DOHULPTVLNIHGD-MBNYWOFBSA-N 2 2 269.389 0.402 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H](NC[C@@H]2CCC[NH2+]2)C[NH2+]1 ZINC001246195325 807182921 /nfs/dbraw/zinc/18/29/21/807182921.db2.gz RGBMHGDPTHKIDD-TUAOUCFPSA-N 2 2 269.389 0.400 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CO[C@@]3(C2)CCC[NH2+]C3)C[NH2+]1 ZINC001246257843 807200373 /nfs/dbraw/zinc/20/03/73/807200373.db2.gz VDNLKNMBCTUFRP-XJFOESAGSA-N 3 2 253.390 0.628 20 0 CCADLP C[C@H]1C[C@@H]([NH2+][C@@H](CCC(=O)OC(C)(C)C)C(N)=O)CC[NH2+]1 ZINC001246268389 807203144 /nfs/dbraw/zinc/20/31/44/807203144.db2.gz PKSYQVKTBIHHSM-SRVKXCTJSA-N 2 2 299.415 0.692 20 0 CCADLP COC(=O)[C@@H]1C[C@H](NC[C@@H]([NH3+])Cc2ccccc2)C[NH2+]1 ZINC001246298778 807211951 /nfs/dbraw/zinc/21/19/51/807211951.db2.gz FSAQAQDSIUMHSJ-IHRRRGAJSA-N 2 2 277.368 0.050 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@@H]1[NH2+][C@H]1CCc2c(F)cc(F)cc2C1 ZINC001246302303 807213505 /nfs/dbraw/zinc/21/35/05/807213505.db2.gz CJGCAYYZJPIBAD-WBIUFABUSA-N 2 2 282.334 0.992 20 0 CCADLP C[C@H]1C[C@@H](n2c[nH+]cc2CCNC(=O)CC[NH3+])CC[NH2+]1 ZINC001246321979 807221121 /nfs/dbraw/zinc/22/11/21/807221121.db2.gz FDVMSJUXPVTSKY-RYUDHWBXSA-N 3 2 279.388 0.204 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H](NC[C@@H]([NH3+])C(C)C)C[NH2+]1 ZINC001246331127 807223171 /nfs/dbraw/zinc/22/31/71/807223171.db2.gz IGSVCULYQZBUJV-DMDPSCGWSA-N 2 2 257.378 0.243 20 0 CCADLP C(C1CCC1)[N@@H+]1CC[C@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246358621 807233038 /nfs/dbraw/zinc/23/30/38/807233038.db2.gz ABFOKLBMJYLSGC-GJZGRUSLSA-N 3 2 278.444 0.544 20 0 CCADLP C(C1CCC1)[N@H+]1CC[C@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246358621 807233042 /nfs/dbraw/zinc/23/30/42/807233042.db2.gz ABFOKLBMJYLSGC-GJZGRUSLSA-N 3 2 278.444 0.544 20 0 CCADLP Cc1cc(N2CC[C@@H]([NH2+][C@@H]3CCC[NH2+]C3)C2)ncn1 ZINC001246371024 807238031 /nfs/dbraw/zinc/23/80/31/807238031.db2.gz UKUIHUJBSFOQBU-CHWSQXEVSA-N 2 2 261.373 0.705 20 0 CCADLP COCCn1cnc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246379988 807238479 /nfs/dbraw/zinc/23/84/79/807238479.db2.gz AQXKQNYOTMVTAN-FUNVUKJBSA-N 2 2 264.373 0.902 20 0 CCADLP O=C(NCC[NH2+][C@@H]1CCC[NH2+]C1)c1cccs1 ZINC001246475077 807260760 /nfs/dbraw/zinc/26/07/60/807260760.db2.gz OCKLGODMNOIITI-SNVBAGLBSA-N 2 2 253.371 0.820 20 0 CCADLP CCOC(=O)[C@@H]([NH3+])Cc1cn([C@H]2CC[NH2+][C@H](C)C2)cn1 ZINC001246524980 807273409 /nfs/dbraw/zinc/27/34/09/807273409.db2.gz QMKAMYFFRDHCDV-WXHSDQCUSA-N 2 2 280.372 0.629 20 0 CCADLP COC(=O)[C@H]([NH3+])Cc1cn([C@H]2CC[C@H](C)[NH2+]C2)cn1 ZINC001246527463 807274255 /nfs/dbraw/zinc/27/42/55/807274255.db2.gz YOSJEHCYYHYDMV-ZMLRMANQSA-N 2 2 266.345 0.239 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C[C@@H]1O ZINC001246584491 807305265 /nfs/dbraw/zinc/30/52/65/807305265.db2.gz NFVMQQWIBVECOG-NXOAAHMSSA-N 3 2 289.423 0.601 20 0 CCADLP [NH3+]C[C@H]1C[N@H+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C[C@@H]1O ZINC001246584491 807305273 /nfs/dbraw/zinc/30/52/73/807305273.db2.gz NFVMQQWIBVECOG-NXOAAHMSSA-N 3 2 289.423 0.601 20 0 CCADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@H](O)[C@@H](C[NH3+])C1)C2 ZINC001246585564 807306791 /nfs/dbraw/zinc/30/67/91/807306791.db2.gz PCCWMVIRHOUQND-QNSTZXKLSA-N 3 2 253.390 0.253 20 0 CCADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1C[C@H](O)[C@@H](C[NH3+])C1)C2 ZINC001246585564 807306797 /nfs/dbraw/zinc/30/67/97/807306797.db2.gz PCCWMVIRHOUQND-QNSTZXKLSA-N 3 2 253.390 0.253 20 0 CCADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1)C2 ZINC001246585564 807306804 /nfs/dbraw/zinc/30/68/04/807306804.db2.gz PCCWMVIRHOUQND-QNSTZXKLSA-N 3 2 253.390 0.253 20 0 CCADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1C[C@H](O)[C@@H](C[NH3+])C1)C2 ZINC001246585564 807306811 /nfs/dbraw/zinc/30/68/11/807306811.db2.gz PCCWMVIRHOUQND-QNSTZXKLSA-N 3 2 253.390 0.253 20 0 CCADLP CCOC(=O)C1=C(O)CC[N@@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246597210 807315645 /nfs/dbraw/zinc/31/56/45/807315645.db2.gz SOPRXWMVVNGWMM-WOPDTQHZSA-N 2 2 268.357 0.581 20 0 CCADLP CCOC(=O)C1=C(O)CC[N@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246597210 807315653 /nfs/dbraw/zinc/31/56/53/807315653.db2.gz SOPRXWMVVNGWMM-WOPDTQHZSA-N 2 2 268.357 0.581 20 0 CCADLP C1C[NH2+]C[C@@H]([N@@H+]2CCOCC3(CC[NH2+]CC3)C2)C1 ZINC001246617182 807325572 /nfs/dbraw/zinc/32/55/72/807325572.db2.gz YHWMQSJJUTYWIV-ZDUSSCGKSA-N 3 2 253.390 0.440 20 0 CCADLP C1C[NH2+]C[C@@H]([N@H+]2CCOCC3(CC[NH2+]CC3)C2)C1 ZINC001246617182 807325580 /nfs/dbraw/zinc/32/55/80/807325580.db2.gz YHWMQSJJUTYWIV-ZDUSSCGKSA-N 3 2 253.390 0.440 20 0 CCADLP O=C(C1CC[NH+]([C@@H]2CCC[NH2+]C2)CC1)N1CCOCC1 ZINC001246782629 807377126 /nfs/dbraw/zinc/37/71/26/807377126.db2.gz UCSHXBBEVFVERO-CQSZACIVSA-N 2 2 281.400 0.309 20 0 CCADLP C[C@@H]1CC[C@H](N2CC[NH+](CC(=O)N3CCCC3)CC2)C[NH2+]1 ZINC001246790310 807380448 /nfs/dbraw/zinc/38/04/48/807380448.db2.gz NMQPPDDSMFUDEP-CABCVRRESA-N 2 2 294.443 0.367 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N2CCC[N@@H+]3CCC[C@@H]3C2)C[NH2+]1 ZINC001246793561 807381369 /nfs/dbraw/zinc/38/13/69/807381369.db2.gz SZDLAUZZDNMRAR-UPJWGTAASA-N 2 2 267.373 0.060 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N2CCC[N@H+]3CCC[C@@H]3C2)C[NH2+]1 ZINC001246793561 807381380 /nfs/dbraw/zinc/38/13/80/807381380.db2.gz SZDLAUZZDNMRAR-UPJWGTAASA-N 2 2 267.373 0.060 20 0 CCADLP CC1([NH+]2CCN(C3CC[NH2+]CC3)CC2)CC[NH2+]CC1 ZINC001246807967 807390889 /nfs/dbraw/zinc/39/08/89/807390889.db2.gz AUKDBSFUSHDRGV-UHFFFAOYSA-N 3 2 266.433 0.498 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCN(c3ncc(O)cn3)CC2)CC[NH2+]1 ZINC001246911162 807425591 /nfs/dbraw/zinc/42/55/91/807425591.db2.gz BZMOLSCMNMKMMM-VXGBXAGGSA-N 2 2 277.372 0.445 20 0 CCADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246913811 807427240 /nfs/dbraw/zinc/42/72/40/807427240.db2.gz HBAURMPPRKYQOO-HZSPNIEDSA-N 3 2 264.417 0.106 20 0 CCADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246913811 807427243 /nfs/dbraw/zinc/42/72/43/807427243.db2.gz HBAURMPPRKYQOO-HZSPNIEDSA-N 3 2 264.417 0.106 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246913811 807427245 /nfs/dbraw/zinc/42/72/45/807427245.db2.gz HBAURMPPRKYQOO-HZSPNIEDSA-N 3 2 264.417 0.106 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246913811 807427248 /nfs/dbraw/zinc/42/72/48/807427248.db2.gz HBAURMPPRKYQOO-HZSPNIEDSA-N 3 2 264.417 0.106 20 0 CCADLP O=C(COC1CC[NH+]([C@@H]2CCC[NH2+]C2)CC1)N1CCCC1 ZINC001246973460 807443886 /nfs/dbraw/zinc/44/38/86/807443886.db2.gz JAHQPRHVEDPGEY-CQSZACIVSA-N 2 2 295.427 0.842 20 0 CCADLP CCOC(=O)[C@H]1CC[C@H]([N@H+](C)C[C@@H]([NH3+])CC)CO1 ZINC001246974770 807444855 /nfs/dbraw/zinc/44/48/55/807444855.db2.gz QVGSZONDQMFMKU-SDDRHHMPSA-N 2 2 258.362 0.766 20 0 CCADLP CCOC(=O)[C@H]1CC[C@H]([N@@H+](C)C[C@@H]([NH3+])CC)CO1 ZINC001246974770 807444859 /nfs/dbraw/zinc/44/48/59/807444859.db2.gz QVGSZONDQMFMKU-SDDRHHMPSA-N 2 2 258.362 0.766 20 0 CCADLP O[C@H](CNc1cc[nH+]c2[nH]ccc21)C[NH+]1CCOCC1 ZINC001251003229 807635198 /nfs/dbraw/zinc/63/51/98/807635198.db2.gz JHRYUQRMNKWLOK-LLVKDONJSA-N 2 2 276.340 0.620 20 0 CCADLP Cc1[nH+]c2ccccn2c1NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251006740 807638588 /nfs/dbraw/zinc/63/85/88/807638588.db2.gz KOUKXHWHUDJOED-CYBMUJFWSA-N 2 2 290.367 0.748 20 0 CCADLP CSc1cc(NC[C@@H](O)C[NH+]2CCOCC2)cc[nH+]1 ZINC001251012357 807641510 /nfs/dbraw/zinc/64/15/10/807641510.db2.gz TTXJMDMAVQOMMG-GFCCVEGCSA-N 2 2 283.397 0.909 20 0 CCADLP C[N@@H+]1CCN(C[C@@H](O)C[NH+]2CCOCC2)C2(CCCC2)C1 ZINC001251023382 807644960 /nfs/dbraw/zinc/64/49/60/807644960.db2.gz KYIUJTMWNFUTTP-HNNXBMFYSA-N 2 2 297.443 0.240 20 0 CCADLP C[N@H+]1CCN(C[C@@H](O)C[NH+]2CCOCC2)C2(CCCC2)C1 ZINC001251023382 807644963 /nfs/dbraw/zinc/64/49/63/807644963.db2.gz KYIUJTMWNFUTTP-HNNXBMFYSA-N 2 2 297.443 0.240 20 0 CCADLP Cc1cccc(C(=[NH2+])NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC001251044116 807655375 /nfs/dbraw/zinc/65/53/75/807655375.db2.gz UYKKBWDJGKDWCC-CQSZACIVSA-N 2 2 277.368 0.603 20 0 CCADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](C[C@H](O)CO)C1 ZINC001252062909 807787304 /nfs/dbraw/zinc/78/73/04/807787304.db2.gz TXGGTRMBJNNUNK-RYUDHWBXSA-N 2 2 252.314 0.196 20 0 CCADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](C[C@H](O)CO)C1 ZINC001252062909 807787306 /nfs/dbraw/zinc/78/73/06/807787306.db2.gz TXGGTRMBJNNUNK-RYUDHWBXSA-N 2 2 252.314 0.196 20 0 CCADLP COC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001252829221 807974571 /nfs/dbraw/zinc/97/45/71/807974571.db2.gz LFPVDQDUZFPQDM-INIZCTEOSA-N 2 2 294.395 0.954 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@]2(CCCC(=O)N2)C1 ZINC001253186510 808021661 /nfs/dbraw/zinc/02/16/61/808021661.db2.gz ZHEFAZNGLHRTQU-GOEBONIOSA-N 2 2 297.443 0.824 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@]2(CCCC(=O)N2)C1 ZINC001253186510 808021667 /nfs/dbraw/zinc/02/16/67/808021667.db2.gz ZHEFAZNGLHRTQU-GOEBONIOSA-N 2 2 297.443 0.824 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001253187651 808023429 /nfs/dbraw/zinc/02/34/29/808023429.db2.gz GQHLWKPDMPTUNU-ZIAGYGMSSA-N 2 2 256.390 0.944 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001253187651 808023437 /nfs/dbraw/zinc/02/34/37/808023437.db2.gz GQHLWKPDMPTUNU-ZIAGYGMSSA-N 2 2 256.390 0.944 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001253195142 808028389 /nfs/dbraw/zinc/02/83/89/808028389.db2.gz ODOIQEZIJOHSNZ-AWEZNQCLSA-N 3 2 269.433 0.717 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+][C@H]1CC(=O)N(C(C)C)C1 ZINC001253207170 808031527 /nfs/dbraw/zinc/03/15/27/808031527.db2.gz AJRJYTNZOLOPJS-QWHCGFSZSA-N 2 2 271.405 0.288 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H]1CC(=O)N(C(C)C)C1 ZINC001253207168 808031855 /nfs/dbraw/zinc/03/18/55/808031855.db2.gz AJRJYTNZOLOPJS-CHWSQXEVSA-N 2 2 271.405 0.288 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]CCOc1ccncc1 ZINC001253216916 808037577 /nfs/dbraw/zinc/03/75/77/808037577.db2.gz QJYHIJGSLKXKQN-CYBMUJFWSA-N 2 2 267.373 0.753 20 0 CCADLP Cn1cc2c(n1)[C@@H](C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)OCC2 ZINC001253405748 808060340 /nfs/dbraw/zinc/06/03/40/808060340.db2.gz MYNCEFZGHCHDOY-QWHCGFSZSA-N 2 2 296.415 0.373 20 0 CCADLP CC(C)(C)OC(=O)[C@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001253704811 808123776 /nfs/dbraw/zinc/12/37/76/808123776.db2.gz VNMRRGNZTDSPGI-CYBMUJFWSA-N 2 2 284.400 0.905 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH+]1CCc2[nH]c(C)[nH+]c2CC1 ZINC001253795693 808143825 /nfs/dbraw/zinc/14/38/25/808143825.db2.gz LJXLYJOXALBXGZ-NSHDSACASA-N 2 2 281.356 0.433 20 0 CCADLP CCC[NH+]1C[C@H]2C[NH+](C[C@@H](O)CC(=O)OCC)C[C@@H]2C1 ZINC001253800036 808146002 /nfs/dbraw/zinc/14/60/02/808146002.db2.gz RZRMPMPRQDQZJB-IHRRRGAJSA-N 2 2 284.400 0.574 20 0 CCADLP CN1C[C@H]([NH2+][C@H]2CC3CC[NH+](CC3)C2)CCC1=O ZINC001254836674 808283529 /nfs/dbraw/zinc/28/35/29/808283529.db2.gz OECBTEUEVGGOQM-OLZOCXBDSA-N 2 2 251.374 0.681 20 0 CCADLP CNC(=O)N1CCC([NH2+][C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254845733 808286928 /nfs/dbraw/zinc/28/69/28/808286928.db2.gz RCUVCSFECGSBHE-CQSZACIVSA-N 2 2 280.416 0.864 20 0 CCADLP C[NH+]1CCN(C2C[NH+](C3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)CC1 ZINC001255681715 808422884 /nfs/dbraw/zinc/42/28/84/808422884.db2.gz CMMQRALJFVZWQP-XYPWUTKMSA-N 3 2 292.471 0.933 20 0 CCADLP C[NH+]1CCN(C2C[NH+](C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)CC1 ZINC001255681715 808422888 /nfs/dbraw/zinc/42/28/88/808422888.db2.gz CMMQRALJFVZWQP-XYPWUTKMSA-N 3 2 292.471 0.933 20 0 CCADLP CC[NH+](CC)CC[C@@H](C)NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001255945418 808439944 /nfs/dbraw/zinc/43/99/44/808439944.db2.gz FIFABCATNNUZSW-CYBMUJFWSA-N 3 2 269.437 0.879 20 0 CCADLP [NH3+]CCC[NH+]1CCN(C2CC[NH+](C3CC3)CC2)CC1 ZINC001256069027 808465713 /nfs/dbraw/zinc/46/57/13/808465713.db2.gz NVJUVTTYERYIBX-UHFFFAOYSA-N 3 2 266.433 0.580 20 0 CCADLP CNC(=O)N[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001256208525 808479046 /nfs/dbraw/zinc/47/90/46/808479046.db2.gz BFAJDPUOMAAKLO-NSHDSACASA-N 2 2 254.378 0.474 20 0 CCADLP CNC(=O)N[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001256208525 808479050 /nfs/dbraw/zinc/47/90/50/808479050.db2.gz BFAJDPUOMAAKLO-NSHDSACASA-N 2 2 254.378 0.474 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001256349608 808513224 /nfs/dbraw/zinc/51/32/24/808513224.db2.gz NXNGKVDBTVHDRY-ILXRZTDVSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001256349608 808513226 /nfs/dbraw/zinc/51/32/26/808513226.db2.gz NXNGKVDBTVHDRY-ILXRZTDVSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001256349608 808513230 /nfs/dbraw/zinc/51/32/30/808513230.db2.gz NXNGKVDBTVHDRY-ILXRZTDVSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001256349608 808513234 /nfs/dbraw/zinc/51/32/34/808513234.db2.gz NXNGKVDBTVHDRY-ILXRZTDVSA-N 2 2 295.427 0.650 20 0 CCADLP COCC[NH2+][C@H](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001279031703 808626671 /nfs/dbraw/zinc/62/66/71/808626671.db2.gz RNKMUSPWPAIWLA-NEPJUHHUSA-N 2 2 280.372 0.425 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]CC2C[NH+](C)C2)C[C@H]1C(=O)OC ZINC001257725093 808632615 /nfs/dbraw/zinc/63/26/15/808632615.db2.gz ZVVJGWPBTIYMHI-JHJVBQTASA-N 2 2 298.383 0.269 20 0 CCADLP CCOC(=O)CC1CCC([NH2+]C2(C[NH3+])COC2)CC1 ZINC001258025173 808649940 /nfs/dbraw/zinc/64/99/40/808649940.db2.gz NJRHBFQEJWYWJM-UHFFFAOYSA-N 2 2 270.373 0.816 20 0 CCADLP C[C@H](Cc1ccco1)NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001258180922 808661502 /nfs/dbraw/zinc/66/15/02/808661502.db2.gz YTXYVMWVDDIHDZ-LLVKDONJSA-N 2 2 250.346 0.982 20 0 CCADLP CCOC(=O)[C@H](CCC[NH3+])[NH2+][C@@H](C)CCC(=O)OC ZINC001258356130 808675686 /nfs/dbraw/zinc/67/56/86/808675686.db2.gz QKJQQSZWSQKMSM-QWRGUYRKSA-N 2 2 274.361 0.588 20 0 CCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001262009246 809153326 /nfs/dbraw/zinc/15/33/26/809153326.db2.gz PDPHLTCEQRMSQJ-NEPJUHHUSA-N 2 2 250.346 0.901 20 0 CCADLP COC1(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CCC1 ZINC001262011275 809155313 /nfs/dbraw/zinc/15/53/13/809155313.db2.gz FYWUJLNUEPQMFS-LBPRGKRZSA-N 2 2 269.389 0.485 20 0 CCADLP COC1(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CCC1 ZINC001262011275 809155320 /nfs/dbraw/zinc/15/53/20/809155320.db2.gz FYWUJLNUEPQMFS-LBPRGKRZSA-N 2 2 269.389 0.485 20 0 CCADLP CC(C)N1CC[NH+](CCC(=O)NCC[NH+]2CC=CC2)CC1 ZINC001262155515 809209127 /nfs/dbraw/zinc/20/91/27/809209127.db2.gz NGXDFJSKXXKLRM-UHFFFAOYSA-N 2 2 294.443 0.391 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000379086915 809507333 /nfs/dbraw/zinc/50/73/33/809507333.db2.gz FHSUBEUPHGFRLS-OAHLLOKOSA-N 2 2 273.380 0.910 20 0 CCADLP COCCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001265311846 809755109 /nfs/dbraw/zinc/75/51/09/809755109.db2.gz BNCJJFHSEKEABP-GFCCVEGCSA-N 2 2 280.372 0.190 20 0 CCADLP COCCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001265311846 809755111 /nfs/dbraw/zinc/75/51/11/809755111.db2.gz BNCJJFHSEKEABP-GFCCVEGCSA-N 2 2 280.372 0.190 20 0 CCADLP COCC[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001265481668 809790132 /nfs/dbraw/zinc/79/01/32/809790132.db2.gz QVOOOOAFDYFNNG-HAQNSBGRSA-N 2 2 266.345 0.226 20 0 CCADLP COCC[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001265481668 809790135 /nfs/dbraw/zinc/79/01/35/809790135.db2.gz QVOOOOAFDYFNNG-HAQNSBGRSA-N 2 2 266.345 0.226 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CCC[C@H](C)O ZINC001265872585 809880983 /nfs/dbraw/zinc/88/09/83/809880983.db2.gz BXNFXXNTVBHPCT-NEPJUHHUSA-N 2 2 268.361 0.138 20 0 CCADLP COCCCC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001265923115 809895266 /nfs/dbraw/zinc/89/52/66/809895266.db2.gz IAOSSPOOCRBRSI-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([NH2+]CCCF)C1 ZINC001265932653 809897679 /nfs/dbraw/zinc/89/76/79/809897679.db2.gz UGPPFVQBKCMWSG-JTQLQIEISA-N 2 2 254.309 0.502 20 0 CCADLP Cn1ccnc1C[N@H+](C)CCCNC(=O)C[NH+]1CCCC1 ZINC001265974512 809911541 /nfs/dbraw/zinc/91/15/41/809911541.db2.gz QALACTIWIZZLDK-UHFFFAOYSA-N 2 2 293.415 0.454 20 0 CCADLP Cn1ccnc1C[N@@H+](C)CCCNC(=O)C[NH+]1CCCC1 ZINC001265974512 809911544 /nfs/dbraw/zinc/91/15/44/809911544.db2.gz QALACTIWIZZLDK-UHFFFAOYSA-N 2 2 293.415 0.454 20 0 CCADLP COCC[NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001280264706 810010398 /nfs/dbraw/zinc/01/03/98/810010398.db2.gz YYNYDUBGBAUUBW-ZDUSSCGKSA-N 2 2 294.399 0.437 20 0 CCADLP CN(CC[NH2+]C[C@H]1C[C@@]12CCOC2)C(=O)Cc1c[nH+]c[nH]1 ZINC001267434697 811304013 /nfs/dbraw/zinc/30/40/13/811304013.db2.gz NKWZNMRNNVUVBO-IUODEOHRSA-N 2 2 292.383 0.427 20 0 CCADLP Cc1ccncc1C[NH2+]CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001267435422 811304198 /nfs/dbraw/zinc/30/41/98/811304198.db2.gz XVSYWRGXSGETAK-UHFFFAOYSA-N 2 2 287.367 0.904 20 0 CCADLP CC[C@@H](F)C[NH2+]CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001267479238 811363332 /nfs/dbraw/zinc/36/33/32/811363332.db2.gz RHEMWRGCRFHRFC-LLVKDONJSA-N 2 2 256.325 0.679 20 0 CCADLP N=c1cc(C[NH3+])ccn1-c1ccc2[nH+]c(N)[nH]c2c1 ZINC001167691670 811405627 /nfs/dbraw/zinc/40/56/27/811405627.db2.gz GNXDIAXKXLSPCH-UHFFFAOYSA-N 2 2 254.297 0.874 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC1C[NH+](CC[C@@H](C)F)C1 ZINC001267667541 811631253 /nfs/dbraw/zinc/63/12/53/811631253.db2.gz ATCSQKFMFKSDSP-LLVKDONJSA-N 2 2 259.369 0.877 20 0 CCADLP CCC[N@H+](C)CC(=O)NC1C[NH+](CC[C@@H](C)F)C1 ZINC001267667541 811631248 /nfs/dbraw/zinc/63/12/48/811631248.db2.gz ATCSQKFMFKSDSP-LLVKDONJSA-N 2 2 259.369 0.877 20 0 CCADLP CC(C)CCOCC[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001267669823 811633141 /nfs/dbraw/zinc/63/31/41/811633141.db2.gz KOYLWXCMZQDXFB-AWEZNQCLSA-N 2 2 297.443 0.801 20 0 CCADLP CC(C)CCOCC[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001267669823 811633146 /nfs/dbraw/zinc/63/31/46/811633146.db2.gz KOYLWXCMZQDXFB-AWEZNQCLSA-N 2 2 297.443 0.801 20 0 CCADLP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001077259152 815469890 /nfs/dbraw/zinc/46/98/90/815469890.db2.gz JEMGZMNYAOZRFM-JHJVBQTASA-N 2 2 292.383 0.017 20 0 CCADLP CCOCCC[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001267774535 811774733 /nfs/dbraw/zinc/77/47/33/811774733.db2.gz WWZCYXTUMKRGPN-AWEZNQCLSA-N 2 2 294.399 0.912 20 0 CCADLP CCOCCC[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001267774535 811774738 /nfs/dbraw/zinc/77/47/38/811774738.db2.gz WWZCYXTUMKRGPN-AWEZNQCLSA-N 2 2 294.399 0.912 20 0 CCADLP C[C@@H]1C(=O)CCN(C(=O)[C@@H]([NH3+])CC[NH3+])C12CCCC2 ZINC001161516190 812030678 /nfs/dbraw/zinc/03/06/78/812030678.db2.gz ABTMBLDITHLOGZ-MNOVXSKESA-N 2 2 267.373 0.413 20 0 CCADLP C[C@H]1NC=C2C(=O)OCCC2=C1C[N@@H+]1CCC[NH2+]CC1 ZINC001204655123 812082232 /nfs/dbraw/zinc/08/22/32/812082232.db2.gz VGHCCGUQWCHUPH-LLVKDONJSA-N 2 2 277.368 0.401 20 0 CCADLP C[C@H]1NC=C2C(=O)OCCC2=C1C[N@H+]1CCC[NH2+]CC1 ZINC001204655123 812082237 /nfs/dbraw/zinc/08/22/37/812082237.db2.gz VGHCCGUQWCHUPH-LLVKDONJSA-N 2 2 277.368 0.401 20 0 CCADLP CC(C)[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@@H](O)C1 ZINC001083583784 815502884 /nfs/dbraw/zinc/50/28/84/815502884.db2.gz RMDJHVNTBKTSBN-XQQFMLRXSA-N 2 2 292.383 0.015 20 0 CCADLP CC(C)[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@@H](O)C1 ZINC001083583784 815502887 /nfs/dbraw/zinc/50/28/87/815502887.db2.gz RMDJHVNTBKTSBN-XQQFMLRXSA-N 2 2 292.383 0.015 20 0 CCADLP C[C@@H](O)CCC[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001268097592 812256823 /nfs/dbraw/zinc/25/68/23/812256823.db2.gz GRJASHNRSPMFLW-QWHCGFSZSA-N 2 2 282.388 0.481 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]([NH2+]CCCO)C(C)C ZINC001268227109 812385429 /nfs/dbraw/zinc/38/54/29/812385429.db2.gz PZLQFFUOOPVIDO-ZDUSSCGKSA-N 2 2 282.388 0.373 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCC[C@@H]1C[NH2+]CCF ZINC001268290396 812450443 /nfs/dbraw/zinc/45/04/43/812450443.db2.gz OWHODGOEAMYTBB-GHMZBOCLSA-N 2 2 268.336 0.796 20 0 CCADLP C[C@@H]1[C@H](C(=O)NC2C[NH+](CCOCC3CC3)C2)CC[N@@H+]1C ZINC001268310751 812471704 /nfs/dbraw/zinc/47/17/04/812471704.db2.gz ZPPIWBSFOIYEJY-IUODEOHRSA-N 2 2 295.427 0.554 20 0 CCADLP C[C@@H]1[C@H](C(=O)NC2C[NH+](CCOCC3CC3)C2)CC[N@H+]1C ZINC001268310751 812471710 /nfs/dbraw/zinc/47/17/10/812471710.db2.gz ZPPIWBSFOIYEJY-IUODEOHRSA-N 2 2 295.427 0.554 20 0 CCADLP COc1ccc(F)c(-c2noc([C@H]3C[NH2+]C[C@@H]3[NH3+])n2)c1 ZINC001211755697 812671280 /nfs/dbraw/zinc/67/12/80/812671280.db2.gz ZUTBUQADJPPCAF-ONGXEEELSA-N 2 2 278.287 0.898 20 0 CCADLP COc1ccc(-c2noc([C@H]3C[NH2+]C[C@@H]3[NH3+])n2)cc1 ZINC001211755563 812671364 /nfs/dbraw/zinc/67/13/64/812671364.db2.gz SMONBISWWUCORN-QWRGUYRKSA-N 2 2 260.297 0.759 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](Cc2ccon2)C1 ZINC001028445702 812711839 /nfs/dbraw/zinc/71/18/39/812711839.db2.gz SZZCXUGHFCSGGA-TZMCWYRMSA-N 2 2 292.383 0.707 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](Cc2ccon2)C1 ZINC001028445702 812711844 /nfs/dbraw/zinc/71/18/44/812711844.db2.gz SZZCXUGHFCSGGA-TZMCWYRMSA-N 2 2 292.383 0.707 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccon2)C1 ZINC001028445702 812711848 /nfs/dbraw/zinc/71/18/48/812711848.db2.gz SZZCXUGHFCSGGA-TZMCWYRMSA-N 2 2 292.383 0.707 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccon2)C1 ZINC001028445702 812711853 /nfs/dbraw/zinc/71/18/53/812711853.db2.gz SZZCXUGHFCSGGA-TZMCWYRMSA-N 2 2 292.383 0.707 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](Cc2ccon2)C1 ZINC001028445701 812713111 /nfs/dbraw/zinc/71/31/11/812713111.db2.gz SZZCXUGHFCSGGA-OCCSQVGLSA-N 2 2 292.383 0.707 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](Cc2ccon2)C1 ZINC001028445701 812713115 /nfs/dbraw/zinc/71/31/15/812713115.db2.gz SZZCXUGHFCSGGA-OCCSQVGLSA-N 2 2 292.383 0.707 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2ccon2)C1 ZINC001028445701 812713119 /nfs/dbraw/zinc/71/31/19/812713119.db2.gz SZZCXUGHFCSGGA-OCCSQVGLSA-N 2 2 292.383 0.707 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2ccon2)C1 ZINC001028445701 812713122 /nfs/dbraw/zinc/71/31/22/812713122.db2.gz SZZCXUGHFCSGGA-OCCSQVGLSA-N 2 2 292.383 0.707 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CC4CC4)C[C@H]32)C1 ZINC001075643963 812735081 /nfs/dbraw/zinc/73/50/81/812735081.db2.gz QWQMRYMEGRAXSB-RRFJBIMHSA-N 2 2 293.411 0.260 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CC4CC4)C[C@H]32)C1 ZINC001075643963 812735089 /nfs/dbraw/zinc/73/50/89/812735089.db2.gz QWQMRYMEGRAXSB-RRFJBIMHSA-N 2 2 293.411 0.260 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC4CC4)C[C@H]32)C1 ZINC001075643963 812735097 /nfs/dbraw/zinc/73/50/97/812735097.db2.gz QWQMRYMEGRAXSB-RRFJBIMHSA-N 2 2 293.411 0.260 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC4CC4)C[C@H]32)C1 ZINC001075643963 812735106 /nfs/dbraw/zinc/73/51/06/812735106.db2.gz QWQMRYMEGRAXSB-RRFJBIMHSA-N 2 2 293.411 0.260 20 0 CCADLP C[C@H](C[NH2+]CC[C@@H]1CCOC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001268662993 812991319 /nfs/dbraw/zinc/99/13/19/812991319.db2.gz DLODENQJHJOYDJ-VXGBXAGGSA-N 2 2 280.372 0.473 20 0 CCADLP C[C@H](C[N@H+](C)CCO)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001268748813 813059480 /nfs/dbraw/zinc/05/94/80/813059480.db2.gz LSJVLLVJIYZCOW-NEPJUHHUSA-N 2 2 268.361 0.263 20 0 CCADLP C[C@H](C[N@@H+](C)CCO)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001268748813 813059491 /nfs/dbraw/zinc/05/94/91/813059491.db2.gz LSJVLLVJIYZCOW-NEPJUHHUSA-N 2 2 268.361 0.263 20 0 CCADLP C[C@@H](O)C[NH2+]CC[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001269771019 813502892 /nfs/dbraw/zinc/50/28/92/813502892.db2.gz VPXDHOKQPOSMRA-CHWSQXEVSA-N 2 2 294.399 0.551 20 0 CCADLP COCCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001269971655 813570876 /nfs/dbraw/zinc/57/08/76/813570876.db2.gz IVNVUVVWYKSSMO-OLZOCXBDSA-N 2 2 294.399 0.958 20 0 CCADLP Cc1cc(C[NH2+]CCNC(=O)CCc2[nH]cc[nH+]2)ncn1 ZINC001126436821 813582718 /nfs/dbraw/zinc/58/27/18/813582718.db2.gz NLUIOGQIGUSJCJ-UHFFFAOYSA-N 2 2 288.355 0.347 20 0 CCADLP COCCC[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126436510 813583332 /nfs/dbraw/zinc/58/33/32/813583332.db2.gz DGYVETMCFCLKEC-UHFFFAOYSA-N 2 2 254.334 0.085 20 0 CCADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC[C@@H]1C[NH2+]CCF ZINC001270228643 813688292 /nfs/dbraw/zinc/68/82/92/813688292.db2.gz OXZMGECBRZQEHM-QWHCGFSZSA-N 2 2 294.374 0.996 20 0 CCADLP C[C@H](C(=O)N1CCC2(C[NH+](C)C2)CC1)n1cc[nH+]c1 ZINC001270391296 813743941 /nfs/dbraw/zinc/74/39/41/813743941.db2.gz KWVYTHSTHVFGAF-GFCCVEGCSA-N 2 2 262.357 0.998 20 0 CCADLP C[C@H](C(=O)N1CC2(CCN2CC[NH+](C)C)C1)n1cc[nH+]c1 ZINC001270395497 813746535 /nfs/dbraw/zinc/74/65/35/813746535.db2.gz BGBGDIZTMPQARR-CYBMUJFWSA-N 2 2 291.399 0.292 20 0 CCADLP C[N@H+]1CC[C@H]2CN(C(=O)[C@@H](CO)n3cc[nH+]c3)C[C@H]2CC1 ZINC001270398716 813748820 /nfs/dbraw/zinc/74/88/20/813748820.db2.gz DWXMTHDHGBMDPI-HZSPNIEDSA-N 2 2 292.383 0.217 20 0 CCADLP C[N@@H+]1CC[C@H]2CN(C(=O)[C@@H](CO)n3cc[nH+]c3)C[C@H]2CC1 ZINC001270398716 813748823 /nfs/dbraw/zinc/74/88/23/813748823.db2.gz DWXMTHDHGBMDPI-HZSPNIEDSA-N 2 2 292.383 0.217 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)C[NH2+]CCF ZINC001270579742 813822373 /nfs/dbraw/zinc/82/23/73/813822373.db2.gz WHBXKTIKJSACJP-VIFPVBQESA-N 2 2 256.325 0.572 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001270618435 813842433 /nfs/dbraw/zinc/84/24/33/813842433.db2.gz ZBFHJLRANAJIKQ-FRRDWIJNSA-N 2 2 251.374 0.776 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001270618435 813842443 /nfs/dbraw/zinc/84/24/43/813842443.db2.gz ZBFHJLRANAJIKQ-FRRDWIJNSA-N 2 2 251.374 0.776 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001270618435 813842454 /nfs/dbraw/zinc/84/24/54/813842454.db2.gz ZBFHJLRANAJIKQ-FRRDWIJNSA-N 2 2 251.374 0.776 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001270618435 813842462 /nfs/dbraw/zinc/84/24/62/813842462.db2.gz ZBFHJLRANAJIKQ-FRRDWIJNSA-N 2 2 251.374 0.776 20 0 CCADLP CC[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001270804728 813941647 /nfs/dbraw/zinc/94/16/47/813941647.db2.gz FBMXKTHLHHFTTO-CYBMUJFWSA-N 2 2 250.346 0.800 20 0 CCADLP C[C@H](C[NH2+]CCF)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001270996499 814110748 /nfs/dbraw/zinc/11/07/48/814110748.db2.gz TVOWZYMIDXFNQY-GMTAPVOTSA-N 2 2 268.336 0.919 20 0 CCADLP C[C@@H](C(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cn[nH]c1)[NH+](C)C ZINC001271146838 814208699 /nfs/dbraw/zinc/20/86/99/814208699.db2.gz FYDCVNGXGOOOLR-UBHSHLNASA-N 2 2 291.399 0.535 20 0 CCADLP C[C@@H](C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cn[nH]c1)[NH+](C)C ZINC001271146838 814208704 /nfs/dbraw/zinc/20/87/04/814208704.db2.gz FYDCVNGXGOOOLR-UBHSHLNASA-N 2 2 291.399 0.535 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CC ZINC001087847536 814234853 /nfs/dbraw/zinc/23/48/53/814234853.db2.gz DKPQAUVWZKMQGN-NWDGAFQWSA-N 2 2 250.346 0.872 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CC ZINC001087847536 814234858 /nfs/dbraw/zinc/23/48/58/814234858.db2.gz DKPQAUVWZKMQGN-NWDGAFQWSA-N 2 2 250.346 0.872 20 0 CCADLP COCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001271426969 814415540 /nfs/dbraw/zinc/41/55/40/814415540.db2.gz OFWIRTXARVTBTD-OCCSQVGLSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088120863 814416671 /nfs/dbraw/zinc/41/66/71/814416671.db2.gz BSULKYWTHVFEPK-UPJWGTAASA-N 2 2 292.383 0.113 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088120863 814416676 /nfs/dbraw/zinc/41/66/76/814416676.db2.gz BSULKYWTHVFEPK-UPJWGTAASA-N 2 2 292.383 0.113 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NC2C[NH+](CCCF)C2)CC[N@@H+]1C ZINC001030339316 815982731 /nfs/dbraw/zinc/98/27/31/815982731.db2.gz OAQWZBYJLWKFFV-QWHCGFSZSA-N 2 2 271.380 0.877 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NC2C[NH+](CCCF)C2)CC[N@H+]1C ZINC001030339316 815982733 /nfs/dbraw/zinc/98/27/33/815982733.db2.gz OAQWZBYJLWKFFV-QWHCGFSZSA-N 2 2 271.380 0.877 20 0 CCADLP CC[N@H+](Cc1c[nH]c(=O)[nH]c1=O)C1CC[NH+](C)CC1 ZINC001231702722 816033726 /nfs/dbraw/zinc/03/37/26/816033726.db2.gz AZUIXRRPOQKXRH-UHFFFAOYSA-N 2 2 266.345 0.804 20 0 CCADLP CC[N@@H+](Cc1c[nH]c(=O)[nH]c1=O)C1CC[NH+](C)CC1 ZINC001231702722 816033734 /nfs/dbraw/zinc/03/37/34/816033734.db2.gz AZUIXRRPOQKXRH-UHFFFAOYSA-N 2 2 266.345 0.804 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001030533815 816092414 /nfs/dbraw/zinc/09/24/14/816092414.db2.gz ZTRQSJQDWNXAMR-WCQYABFASA-N 2 2 269.389 0.306 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001030533815 816092415 /nfs/dbraw/zinc/09/24/15/816092415.db2.gz ZTRQSJQDWNXAMR-WCQYABFASA-N 2 2 269.389 0.306 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001089074119 816235206 /nfs/dbraw/zinc/23/52/06/816235206.db2.gz BTZKBYWYQHTRCW-UPJWGTAASA-N 2 2 280.372 0.497 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001089074119 816235212 /nfs/dbraw/zinc/23/52/12/816235212.db2.gz BTZKBYWYQHTRCW-UPJWGTAASA-N 2 2 280.372 0.497 20 0 CCADLP C[C@@H](O)C[NH+]1CC(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001030742309 816258897 /nfs/dbraw/zinc/25/88/97/816258897.db2.gz RCYJDWGGVFHUOR-RISCZKNCSA-N 2 2 281.400 0.042 20 0 CCADLP CC[C@H](C)C[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001030839388 816333774 /nfs/dbraw/zinc/33/37/74/816333774.db2.gz KGDBYDKWRADFHO-ZFWWWQNUSA-N 2 2 297.443 0.942 20 0 CCADLP CC[C@H](C)C[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001030839388 816333782 /nfs/dbraw/zinc/33/37/82/816333782.db2.gz KGDBYDKWRADFHO-ZFWWWQNUSA-N 2 2 297.443 0.942 20 0 CCADLP CC[N@@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001272437208 816430646 /nfs/dbraw/zinc/43/06/46/816430646.db2.gz GTQOIYDOKLDIHS-OAHLLOKOSA-N 2 2 290.367 0.744 20 0 CCADLP CC[N@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001272437208 816430647 /nfs/dbraw/zinc/43/06/47/816430647.db2.gz GTQOIYDOKLDIHS-OAHLLOKOSA-N 2 2 290.367 0.744 20 0 CCADLP C[C@H](O)C[NH+]1CC(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001031104361 816650189 /nfs/dbraw/zinc/65/01/89/816650189.db2.gz PMRNYTHIYGAWEB-LBPRGKRZSA-N 2 2 291.395 0.543 20 0 CCADLP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001031236644 816869417 /nfs/dbraw/zinc/86/94/17/816869417.db2.gz GBVHHNQMEKAHHK-OAHLLOKOSA-N 2 2 297.443 0.824 20 0 CCADLP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001031236644 816869427 /nfs/dbraw/zinc/86/94/27/816869427.db2.gz GBVHHNQMEKAHHK-OAHLLOKOSA-N 2 2 297.443 0.824 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C[NH2+]CCO)[C@H](C)C1 ZINC001106747960 816894170 /nfs/dbraw/zinc/89/41/70/816894170.db2.gz BHEKLADYPGKOHJ-YNEHKIRRSA-N 2 2 294.399 0.265 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C[NH2+]CCO)[C@H](C)C1 ZINC001106747960 816894177 /nfs/dbraw/zinc/89/41/77/816894177.db2.gz BHEKLADYPGKOHJ-YNEHKIRRSA-N 2 2 294.399 0.265 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC2C[NH+](CCCO)C2)C1 ZINC001031256894 816908622 /nfs/dbraw/zinc/90/86/22/816908622.db2.gz FKAYBSGIQKVJEL-GXTWGEPZSA-N 2 2 283.416 0.290 20 0 CCADLP C[N@@H+]1CC[C@H](CC(=O)NC2C[NH+](C[C@H]3CCCCO3)C2)C1 ZINC001031260553 816909758 /nfs/dbraw/zinc/90/97/58/816909758.db2.gz QWQYEVBYLXVNPA-UKRRQHHQSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CC[C@H](CC(=O)NC2C[NH+](C[C@H]3CCCCO3)C2)C1 ZINC001031260553 816909761 /nfs/dbraw/zinc/90/97/61/816909761.db2.gz QWQYEVBYLXVNPA-UKRRQHHQSA-N 2 2 295.427 0.698 20 0 CCADLP COc1cncc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC000699876366 816948438 /nfs/dbraw/zinc/94/84/38/816948438.db2.gz HFUZLYZHTIYPBV-ZDUSSCGKSA-N 2 2 265.357 0.637 20 0 CCADLP COc1ncccc1C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235994619 816982620 /nfs/dbraw/zinc/98/26/20/816982620.db2.gz ZGRLBGMUYBBMSU-FUNVUKJBSA-N 2 2 263.341 0.496 20 0 CCADLP COc1ncccc1C[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235994619 816982624 /nfs/dbraw/zinc/98/26/24/816982624.db2.gz ZGRLBGMUYBBMSU-FUNVUKJBSA-N 2 2 263.341 0.496 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NC2C[NH+](CCC(C)C)C2)C1 ZINC001031415164 817041988 /nfs/dbraw/zinc/04/19/88/817041988.db2.gz RSMCWCMHRNPUSP-AWEZNQCLSA-N 2 2 283.416 0.554 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NC2C[NH+](CCC(C)C)C2)C1 ZINC001031415164 817041996 /nfs/dbraw/zinc/04/19/96/817041996.db2.gz RSMCWCMHRNPUSP-AWEZNQCLSA-N 2 2 283.416 0.554 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](C[C@H](C)OC)C1 ZINC001031439458 817056907 /nfs/dbraw/zinc/05/69/07/817056907.db2.gz HNJGAFNPJDBRGM-JSGCOSHPSA-N 2 2 283.416 0.696 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](C[C@H](C)OC)C1 ZINC001031439458 817056916 /nfs/dbraw/zinc/05/69/16/817056916.db2.gz HNJGAFNPJDBRGM-JSGCOSHPSA-N 2 2 283.416 0.696 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001031713507 817279559 /nfs/dbraw/zinc/27/95/59/817279559.db2.gz AGUHYDSKFUOTPE-CYBMUJFWSA-N 2 2 271.380 0.878 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001031713507 817279564 /nfs/dbraw/zinc/27/95/64/817279564.db2.gz AGUHYDSKFUOTPE-CYBMUJFWSA-N 2 2 271.380 0.878 20 0 CCADLP C[C@H](C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21)n1cc[nH+]c1 ZINC001124108497 817291973 /nfs/dbraw/zinc/29/19/73/817291973.db2.gz BFHVJWLQYHXSOA-YVECIDJPSA-N 2 2 262.357 0.901 20 0 CCADLP C[C@H](C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21)n1cc[nH+]c1 ZINC001124108497 817291980 /nfs/dbraw/zinc/29/19/80/817291980.db2.gz BFHVJWLQYHXSOA-YVECIDJPSA-N 2 2 262.357 0.901 20 0 CCADLP CCC[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001031747118 817332878 /nfs/dbraw/zinc/33/28/78/817332878.db2.gz NERLVHSBTLNBQY-VXGBXAGGSA-N 2 2 262.357 0.971 20 0 CCADLP CCC[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001031747118 817332888 /nfs/dbraw/zinc/33/28/88/817332888.db2.gz NERLVHSBTLNBQY-VXGBXAGGSA-N 2 2 262.357 0.971 20 0 CCADLP O=C(NCC1C[NH+](CC2CC2)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001031783109 817365619 /nfs/dbraw/zinc/36/56/19/817365619.db2.gz ATQAIDNHFQXMIG-CQSZACIVSA-N 2 2 288.395 0.904 20 0 CCADLP CCc1noc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001127643821 817413612 /nfs/dbraw/zinc/41/36/12/817413612.db2.gz MXXDMHAHDOHDDM-GHMZBOCLSA-N 2 2 295.387 0.178 20 0 CCADLP CCc1noc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001127643821 817413618 /nfs/dbraw/zinc/41/36/18/817413618.db2.gz MXXDMHAHDOHDDM-GHMZBOCLSA-N 2 2 295.387 0.178 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]([NH2+]CCF)C12CCC2 ZINC001078761077 818050948 /nfs/dbraw/zinc/05/09/48/818050948.db2.gz FQEHMPZDKFUTDW-QWRGUYRKSA-N 2 2 280.347 0.939 20 0 CCADLP CC(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001032815811 818051441 /nfs/dbraw/zinc/05/14/41/818051441.db2.gz PLTFJXNWBIQHKX-STQMWFEESA-N 2 2 262.357 0.824 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000446376331 818452817 /nfs/dbraw/zinc/45/28/17/818452817.db2.gz IJBYZXGNXFGXDE-UHFFFAOYSA-N 2 2 260.301 0.017 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2c(F)ccc[n+]2[O-])CC1 ZINC001168734880 818530748 /nfs/dbraw/zinc/53/07/48/818530748.db2.gz CPCMVYVDDCZXEI-UHFFFAOYSA-N 2 2 253.281 0.053 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ncnc3ccoc32)CC1 ZINC001168735989 818541241 /nfs/dbraw/zinc/54/12/41/818541241.db2.gz HVIFADMSNIHFKM-UHFFFAOYSA-N 2 2 260.301 0.817 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)CC[NH2+]CCO ZINC001273066190 818553918 /nfs/dbraw/zinc/55/39/18/818553918.db2.gz AJMVRHPACUBDNB-MNOVXSKESA-N 2 2 268.361 0.065 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)CC[NH2+]CCO ZINC001273066190 818553921 /nfs/dbraw/zinc/55/39/21/818553921.db2.gz AJMVRHPACUBDNB-MNOVXSKESA-N 2 2 268.361 0.065 20 0 CCADLP COc1nc(SC)ncc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168737025 818554033 /nfs/dbraw/zinc/55/40/33/818554033.db2.gz NFAOCGLMIHQBNY-UHFFFAOYSA-N 2 2 296.400 0.801 20 0 CCADLP COc1cccc(N)c1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168741262 818609685 /nfs/dbraw/zinc/60/96/85/818609685.db2.gz UYUIRTYHDXFHTP-UHFFFAOYSA-N 2 2 263.345 0.871 20 0 CCADLP CC(=O)Nc1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)c(C)n1 ZINC001168741396 818609720 /nfs/dbraw/zinc/60/97/20/818609720.db2.gz ZJEUISHPPIDZAZ-UHFFFAOYSA-N 2 2 290.371 0.942 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CC[NH+](CCF)C2)C1 ZINC001033421069 818770554 /nfs/dbraw/zinc/77/05/54/818770554.db2.gz UVBLJIAUZOUPKQ-QWHCGFSZSA-N 2 2 271.380 0.830 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CC[NH+](CCF)C2)C1 ZINC001033421069 818770559 /nfs/dbraw/zinc/77/05/59/818770559.db2.gz UVBLJIAUZOUPKQ-QWHCGFSZSA-N 2 2 271.380 0.830 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](CCF)C2)C1 ZINC001033421069 818770566 /nfs/dbraw/zinc/77/05/66/818770566.db2.gz UVBLJIAUZOUPKQ-QWHCGFSZSA-N 2 2 271.380 0.830 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](CCF)C2)C1 ZINC001033421069 818770571 /nfs/dbraw/zinc/77/05/71/818770571.db2.gz UVBLJIAUZOUPKQ-QWHCGFSZSA-N 2 2 271.380 0.830 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033703532 818891539 /nfs/dbraw/zinc/89/15/39/818891539.db2.gz GHIRJHFOTIFNOC-OLZOCXBDSA-N 2 2 280.372 0.451 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033703532 818891542 /nfs/dbraw/zinc/89/15/42/818891542.db2.gz GHIRJHFOTIFNOC-OLZOCXBDSA-N 2 2 280.372 0.451 20 0 CCADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](CCCF)C1 ZINC001033703832 818891814 /nfs/dbraw/zinc/89/18/14/818891814.db2.gz IYWMGCKQUFUSNM-GFCCVEGCSA-N 2 2 268.336 0.775 20 0 CCADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](CCCF)C1 ZINC001033703832 818891820 /nfs/dbraw/zinc/89/18/20/818891820.db2.gz IYWMGCKQUFUSNM-GFCCVEGCSA-N 2 2 268.336 0.775 20 0 CCADLP COCC[N@@H+]1CCCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034483511 819218438 /nfs/dbraw/zinc/21/84/38/819218438.db2.gz DXLBDMSCZWATEC-ZDUSSCGKSA-N 2 2 294.399 0.580 20 0 CCADLP COCC[N@H+]1CCCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034483511 819218448 /nfs/dbraw/zinc/21/84/48/819218448.db2.gz DXLBDMSCZWATEC-ZDUSSCGKSA-N 2 2 294.399 0.580 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+]C[C@H]1CCCCO1 ZINC001128967770 819238017 /nfs/dbraw/zinc/23/80/17/819238017.db2.gz ZXAGJFBYYPTMKV-CYBMUJFWSA-N 2 2 280.372 0.617 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC[NH2+]C[C@H]1CCCCO1 ZINC001128967770 819238026 /nfs/dbraw/zinc/23/80/26/819238026.db2.gz ZXAGJFBYYPTMKV-CYBMUJFWSA-N 2 2 280.372 0.617 20 0 CCADLP CCOCCC[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128972634 819253480 /nfs/dbraw/zinc/25/34/80/819253480.db2.gz FRUFGVOBQSEDTN-UHFFFAOYSA-N 2 2 268.361 0.475 20 0 CCADLP CCOCCC[NH2+]CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001128972634 819253486 /nfs/dbraw/zinc/25/34/86/819253486.db2.gz FRUFGVOBQSEDTN-UHFFFAOYSA-N 2 2 268.361 0.475 20 0 CCADLP Cn1ncc2c1nc[nH+]c2N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703602221 819306915 /nfs/dbraw/zinc/30/69/15/819306915.db2.gz FWDZPHFHHFPQGC-TVQRCGJNSA-N 2 2 258.329 0.409 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2[C@@H](CC[N@H+]2CCO)C1 ZINC001036701790 820049598 /nfs/dbraw/zinc/04/95/98/820049598.db2.gz CMLWFDHNIPEZFW-STQMWFEESA-N 2 2 292.383 0.257 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2[C@@H](CC[N@@H+]2CCO)C1 ZINC001036701790 820049608 /nfs/dbraw/zinc/04/96/08/820049608.db2.gz CMLWFDHNIPEZFW-STQMWFEESA-N 2 2 292.383 0.257 20 0 CCADLP CO[C@@H]1C[N@H+](CCCF)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001082345501 820940011 /nfs/dbraw/zinc/94/00/11/820940011.db2.gz MTOBBRHVWQBUBA-CHWSQXEVSA-N 2 2 298.362 0.436 20 0 CCADLP CO[C@@H]1C[N@@H+](CCCF)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001082345501 820940022 /nfs/dbraw/zinc/94/00/22/820940022.db2.gz MTOBBRHVWQBUBA-CHWSQXEVSA-N 2 2 298.362 0.436 20 0 CCADLP O=C(N[C@H]1CCC[NH2+]CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001118848535 820951724 /nfs/dbraw/zinc/95/17/24/820951724.db2.gz YLBOUSUGQVTWTF-NEPJUHHUSA-N 2 2 262.357 0.704 20 0 CCADLP CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001082604603 821003758 /nfs/dbraw/zinc/00/37/58/821003758.db2.gz VHDZKFKFDMGTDL-JHJVBQTASA-N 2 2 276.384 0.902 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]C[C@H]1CCOC1 ZINC001082766922 821031762 /nfs/dbraw/zinc/03/17/62/821031762.db2.gz IJXFCMLDBBPBSA-YRGRVCCFSA-N 2 2 292.383 0.425 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](C)O)C1 ZINC001082884416 821053925 /nfs/dbraw/zinc/05/39/25/821053925.db2.gz RZXZBCUOCISIMK-GBIKHYSHSA-N 2 2 280.372 0.078 20 0 CCADLP CC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C1 ZINC001083065381 821134393 /nfs/dbraw/zinc/13/43/93/821134393.db2.gz AVYUCJDHOMSJBA-NWDGAFQWSA-N 2 2 278.356 0.274 20 0 CCADLP CC[N@H+]1C[C@H]2OCCN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C1 ZINC001083065381 821134399 /nfs/dbraw/zinc/13/43/99/821134399.db2.gz AVYUCJDHOMSJBA-NWDGAFQWSA-N 2 2 278.356 0.274 20 0 CCADLP OC[C@H]1CCN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC001166550053 821142323 /nfs/dbraw/zinc/14/23/23/821142323.db2.gz OTPLVQATGLWVRI-LBPRGKRZSA-N 2 2 262.357 0.310 20 0 CCADLP CCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001273342420 821757174 /nfs/dbraw/zinc/75/71/74/821757174.db2.gz MDRNSCYREQFROA-ZDUSSCGKSA-N 2 2 280.372 0.190 20 0 CCADLP CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001085680508 821894687 /nfs/dbraw/zinc/89/46/87/821894687.db2.gz HPWMEBWSWUOYRH-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001085680508 821894697 /nfs/dbraw/zinc/89/46/97/821894697.db2.gz HPWMEBWSWUOYRH-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001086112222 822115877 /nfs/dbraw/zinc/11/58/77/822115877.db2.gz YFONYRGTVDOJIJ-KIJLLGNVSA-N 2 2 292.383 0.378 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001086112222 822115883 /nfs/dbraw/zinc/11/58/83/822115883.db2.gz YFONYRGTVDOJIJ-KIJLLGNVSA-N 2 2 292.383 0.378 20 0 CCADLP C[C@H]1CCCN(c2cc(N[C@@H]3COC[C@@H]3[NH3+])nc[nH+]2)C1 ZINC001155355237 822133677 /nfs/dbraw/zinc/13/36/77/822133677.db2.gz ZDZDGGWYUQVVKW-SDDRHHMPSA-N 2 2 277.372 0.851 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2CCCC(=O)[C@@H](F)C2)cc1 ZINC001157853664 837499160 /nfs/dbraw/zinc/49/91/60/837499160.db2.gz JUCAPELJTSAIQZ-QWHCGFSZSA-N 2 2 293.342 0.788 20 0 CCADLP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]Cc1cnon1 ZINC001129841857 837566157 /nfs/dbraw/zinc/56/61/57/837566157.db2.gz QAPJWFLEDVLJIW-LBPRGKRZSA-N 2 2 281.360 0.150 20 0 CCADLP C[N@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]Cc1cnon1 ZINC001129841857 837566167 /nfs/dbraw/zinc/56/61/67/837566167.db2.gz QAPJWFLEDVLJIW-LBPRGKRZSA-N 2 2 281.360 0.150 20 0 CCADLP CCc1noc(C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C)n1 ZINC001129950754 837592035 /nfs/dbraw/zinc/59/20/35/837592035.db2.gz ZLRJDBDUIMQISV-ZDUSSCGKSA-N 2 2 297.403 0.424 20 0 CCADLP COc1cncc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001157915096 837695036 /nfs/dbraw/zinc/69/50/36/837695036.db2.gz OXEXOWUKZOSYJZ-UHFFFAOYSA-N 2 2 250.306 0.079 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NCC[NH2+]C[C@H]1CCOC1 ZINC001130176618 837712423 /nfs/dbraw/zinc/71/24/23/837712423.db2.gz VZUVKANPZTYNBX-GFCCVEGCSA-N 2 2 293.367 0.375 20 0 CCADLP CC[C@H](C(=O)NCC[NH2+][C@H](C)c1nnc(C)o1)[NH+](C)C ZINC001130205708 837726960 /nfs/dbraw/zinc/72/69/60/837726960.db2.gz SYKYKXBEGWIWMY-MWLCHTKSSA-N 2 2 283.376 0.485 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)[C@@H]2CCCC[N@H+]2C)nc1 ZINC001130296739 837750106 /nfs/dbraw/zinc/75/01/06/837750106.db2.gz CBWDPUDSXJAISW-ZDUSSCGKSA-N 2 2 291.399 0.475 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)[C@@H]2CCCC[N@@H+]2C)nc1 ZINC001130296739 837750110 /nfs/dbraw/zinc/75/01/10/837750110.db2.gz CBWDPUDSXJAISW-ZDUSSCGKSA-N 2 2 291.399 0.475 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1csnn1 ZINC001130297989 837752783 /nfs/dbraw/zinc/75/27/83/837752783.db2.gz UYASSXXNYAHLLG-NSHDSACASA-N 2 2 283.401 0.228 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1csnn1 ZINC001130297989 837752795 /nfs/dbraw/zinc/75/27/95/837752795.db2.gz UYASSXXNYAHLLG-NSHDSACASA-N 2 2 283.401 0.228 20 0 CCADLP CCOCC[NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130406947 837787539 /nfs/dbraw/zinc/78/75/39/837787539.db2.gz IESJWMVNVRHFOV-LBPRGKRZSA-N 2 2 280.372 0.188 20 0 CCADLP COC[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130407690 837786963 /nfs/dbraw/zinc/78/69/63/837786963.db2.gz WQRQCBZBKBDAOL-NWDGAFQWSA-N 2 2 280.372 0.186 20 0 CCADLP COCCC[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130487014 837807819 /nfs/dbraw/zinc/80/78/19/837807819.db2.gz AZUADKQVNDGZTI-GFCCVEGCSA-N 2 2 280.372 0.188 20 0 CCADLP CCC[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130490795 837811306 /nfs/dbraw/zinc/81/13/06/837811306.db2.gz IQFVYYBJMAKSAB-LLVKDONJSA-N 2 2 250.346 0.561 20 0 CCADLP O=C(NCC[NH2+]C/C=C\Cl)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130488691 837813006 /nfs/dbraw/zinc/81/30/06/837813006.db2.gz UXHTYCJFLCOLAW-PNDGHQIGSA-N 2 2 282.775 0.904 20 0 CCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[C@@H]([NH2+]CCCF)C1 ZINC001183764602 844085799 /nfs/dbraw/zinc/08/57/99/844085799.db2.gz CKFFYHZQAVLXJQ-QWHCGFSZSA-N 2 2 294.374 0.996 20 0 CCADLP Nc1ccc(CCC(=O)N2CC[N@@H+]3CC[C@@H]3C2)c[nH+]1 ZINC001183935923 844114992 /nfs/dbraw/zinc/11/49/92/844114992.db2.gz LQQUAAOUPGRWKL-GFCCVEGCSA-N 2 2 260.341 0.513 20 0 CCADLP Nc1ccc(CCC(=O)N2CC[N@H+]3CC[C@@H]3C2)c[nH+]1 ZINC001183935923 844114998 /nfs/dbraw/zinc/11/49/98/844114998.db2.gz LQQUAAOUPGRWKL-GFCCVEGCSA-N 2 2 260.341 0.513 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc([C@H]2CCC[NH2+]2)cn1 ZINC001169066715 836122629 /nfs/dbraw/zinc/12/26/29/836122629.db2.gz GVGWPTPNDLXUOG-TZMCWYRMSA-N 3 2 287.367 0.554 20 0 CCADLP CCCNc1nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ncc1C ZINC001169067434 836123755 /nfs/dbraw/zinc/12/37/55/836123755.db2.gz SSGHCJFHVFAVTH-LLVKDONJSA-N 2 2 290.371 0.655 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncc(-c2cccnc2)cn1 ZINC001169072695 836125346 /nfs/dbraw/zinc/12/53/46/836125346.db2.gz SCEMBSBDCJXNRT-CYBMUJFWSA-N 2 2 296.334 0.586 20 0 CCADLP CCCOc1nccnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169072384 836125991 /nfs/dbraw/zinc/12/59/91/836125991.db2.gz NHGQSQDVGCHRKR-SNVBAGLBSA-N 2 2 277.328 0.313 20 0 CCADLP CC[C@H](C)Oc1nccnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169072342 836126080 /nfs/dbraw/zinc/12/60/80/836126080.db2.gz MSFDUHZWXGCMGM-WDEREUQCSA-N 2 2 291.355 0.702 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)C2 ZINC001169098392 836130435 /nfs/dbraw/zinc/13/04/35/836130435.db2.gz HCWXHKQSSUFKLF-LPWJVIDDSA-N 2 2 272.414 0.636 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)C2 ZINC001169098392 836130440 /nfs/dbraw/zinc/13/04/40/836130440.db2.gz HCWXHKQSSUFKLF-LPWJVIDDSA-N 2 2 272.414 0.636 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Nc2cn3cc[nH+]c3cc2OC)C[NH2+]1 ZINC001169136671 836148801 /nfs/dbraw/zinc/14/88/01/836148801.db2.gz OEZYFGWYGAYHHW-ZJUUUORDSA-N 2 2 290.323 0.658 20 0 CCADLP CC[NH+]1CCC([N@@H+]2CCC[C@@H](NC(=O)COC)C2)CC1 ZINC001169264156 836170171 /nfs/dbraw/zinc/17/01/71/836170171.db2.gz IKLPUDKLROKZOM-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+]1CCC([N@H+]2CCC[C@@H](NC(=O)COC)C2)CC1 ZINC001169264156 836170178 /nfs/dbraw/zinc/17/01/78/836170178.db2.gz IKLPUDKLROKZOM-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])N[C@H]2CCCC3(C2)OCCO3)CC1 ZINC001169911090 836479559 /nfs/dbraw/zinc/47/95/59/836479559.db2.gz ZHHWROVVFJSPFR-LBPRGKRZSA-N 2 2 282.388 0.444 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)C1([NH+](C)C)CCC1)c1ncccn1 ZINC001129358516 836512733 /nfs/dbraw/zinc/51/27/33/836512733.db2.gz TVIHLPSCSFSDCK-LBPRGKRZSA-N 2 2 291.399 0.728 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO ZINC001109549126 836695514 /nfs/dbraw/zinc/69/55/14/836695514.db2.gz LHZSPJWJGCZHMH-AGIUHOORSA-N 2 2 292.383 0.067 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001109549126 836695520 /nfs/dbraw/zinc/69/55/20/836695520.db2.gz LHZSPJWJGCZHMH-AGIUHOORSA-N 2 2 292.383 0.067 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001100138695 836774655 /nfs/dbraw/zinc/77/46/55/836774655.db2.gz KRCYKJXKSSTWHR-KBPBESRZSA-N 2 2 294.399 0.625 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001100138695 836774661 /nfs/dbraw/zinc/77/46/61/836774661.db2.gz KRCYKJXKSSTWHR-KBPBESRZSA-N 2 2 294.399 0.625 20 0 CCADLP COCCCC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001184720118 844277576 /nfs/dbraw/zinc/27/75/76/844277576.db2.gz IAOSSPOOCRBRSI-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncnc2cccnc21 ZINC001158204187 837979920 /nfs/dbraw/zinc/97/99/20/837979920.db2.gz LZHVLJNWYIYHDE-SECBINFHSA-N 2 2 270.296 0.073 20 0 CCADLP COC(=O)c1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ncc1C ZINC001158206228 837988685 /nfs/dbraw/zinc/98/86/85/837988685.db2.gz FAOVHNZHPWOMSY-SNVBAGLBSA-N 2 2 290.323 0.224 20 0 CCADLP [NH3+][C@H]1CC[N@@H+](C2CCN(c3cc4c(nn3)CCC4)CC2)C1 ZINC001158269288 838014092 /nfs/dbraw/zinc/01/40/92/838014092.db2.gz PXPVKIGGEBHQBF-ZDUSSCGKSA-N 2 2 287.411 0.967 20 0 CCADLP [NH3+][C@H]1CC[N@H+](C2CCN(c3cc4c(nn3)CCC4)CC2)C1 ZINC001158269288 838014104 /nfs/dbraw/zinc/01/41/04/838014104.db2.gz PXPVKIGGEBHQBF-ZDUSSCGKSA-N 2 2 287.411 0.967 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]C[C@@H]1CCCOC1 ZINC001131639204 838163362 /nfs/dbraw/zinc/16/33/62/838163362.db2.gz BRBUJXFDRMITFR-ZDUSSCGKSA-N 2 2 294.399 0.485 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]CC[C@@H]1CCOC1 ZINC001131652220 838167894 /nfs/dbraw/zinc/16/78/94/838167894.db2.gz DPNOZYBCNVJVEH-CYBMUJFWSA-N 2 2 294.399 0.485 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]C/C=C/Cl ZINC001131656060 838170926 /nfs/dbraw/zinc/17/09/26/838170926.db2.gz JLXUPIQAMSEJHT-GORDUTHDSA-N 2 2 270.764 0.811 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]Cc1cnns1 ZINC001132081607 838313417 /nfs/dbraw/zinc/31/34/17/838313417.db2.gz CJSWVSRZNCFQGQ-UHFFFAOYSA-N 2 2 280.357 0.031 20 0 CCADLP C[C@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@@H+]1CCO ZINC001132091356 838316022 /nfs/dbraw/zinc/31/60/22/838316022.db2.gz WCSHTHILRLTVPO-WCQYABFASA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@H+]1CCO ZINC001132091356 838316029 /nfs/dbraw/zinc/31/60/29/838316029.db2.gz WCSHTHILRLTVPO-WCQYABFASA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@@H+]1CCO ZINC001132091356 838316038 /nfs/dbraw/zinc/31/60/38/838316038.db2.gz WCSHTHILRLTVPO-WCQYABFASA-N 2 2 280.372 0.304 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)C2(C[NH+](C)C)CC2)o1 ZINC001132992608 838531109 /nfs/dbraw/zinc/53/11/09/838531109.db2.gz DRZYGRJWAUJBCQ-UHFFFAOYSA-N 2 2 294.399 0.785 20 0 CCADLP C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C[NH2+]CCO ZINC001133022433 838535964 /nfs/dbraw/zinc/53/59/64/838535964.db2.gz ZOWSKOYVCZCERD-KBPBESRZSA-N 2 2 294.399 0.340 20 0 CCADLP CCc1noc([C@H](C)[NH2+]CCNC(=O)CCC[NH+](C)C)n1 ZINC001133051890 838542619 /nfs/dbraw/zinc/54/26/19/838542619.db2.gz TWAGKLWVWKPYKG-NSHDSACASA-N 2 2 297.403 0.741 20 0 CCADLP C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]CCO ZINC001133242196 838582824 /nfs/dbraw/zinc/58/28/24/838582824.db2.gz OQJQPVMTHKVYDO-CHWSQXEVSA-N 2 2 294.399 0.029 20 0 CCADLP COCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001133354089 838609031 /nfs/dbraw/zinc/60/90/31/838609031.db2.gz MTODQMXXLHSPMB-KBPBESRZSA-N 2 2 294.399 0.604 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C)o1 ZINC001133433807 838635526 /nfs/dbraw/zinc/63/55/26/838635526.db2.gz BUEFOVXCUJWTQH-ZYHUDNBSSA-N 2 2 297.403 0.731 20 0 CCADLP O=C(NCC[NH2+]C[C@@H]1CCOC1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001133664131 838691481 /nfs/dbraw/zinc/69/14/81/838691481.db2.gz MDJQEWQZIQSABW-RYUDHWBXSA-N 2 2 292.383 0.572 20 0 CCADLP CCc1noc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)n1 ZINC001133864179 838756276 /nfs/dbraw/zinc/75/62/76/838756276.db2.gz WLRXUWHEVDXNMH-QWRGUYRKSA-N 2 2 295.387 0.036 20 0 CCADLP CCc1noc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)n1 ZINC001133864179 838756282 /nfs/dbraw/zinc/75/62/82/838756282.db2.gz WLRXUWHEVDXNMH-QWRGUYRKSA-N 2 2 295.387 0.036 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)oc1C ZINC001133866737 838758278 /nfs/dbraw/zinc/75/82/78/838758278.db2.gz OJMGANAUTDOWST-ZWNOBZJWSA-N 2 2 294.399 0.695 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)oc1C ZINC001133866737 838758281 /nfs/dbraw/zinc/75/82/81/838758281.db2.gz OJMGANAUTDOWST-ZWNOBZJWSA-N 2 2 294.399 0.695 20 0 CCADLP COCCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134045341 838842792 /nfs/dbraw/zinc/84/27/92/838842792.db2.gz BZTFPBNNCFQGCZ-VXGBXAGGSA-N 2 2 280.372 0.266 20 0 CCADLP COCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134227247 838911736 /nfs/dbraw/zinc/91/17/36/838911736.db2.gz DDTSDROAFQPZAM-RYUDHWBXSA-N 2 2 282.388 0.862 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]C[C@H]1CCCOC1 ZINC001134407132 838961411 /nfs/dbraw/zinc/96/14/11/838961411.db2.gz SGRCWKTUESARAD-LLVKDONJSA-N 2 2 266.345 0.085 20 0 CCADLP C[C@@H](CC(=O)NCC[NH2+]Cc1ccn(C)n1)n1cc[nH+]c1 ZINC001134499104 838994134 /nfs/dbraw/zinc/99/41/34/838994134.db2.gz WJAOPFRSJZKMNX-LBPRGKRZSA-N 2 2 290.371 0.474 20 0 CCADLP C[C@@H](CC(=O)NCC[NH2+]Cc1cnn(C)c1)n1cc[nH+]c1 ZINC001134499092 838995014 /nfs/dbraw/zinc/99/50/14/838995014.db2.gz WFYBENQIYCXMKP-LBPRGKRZSA-N 2 2 290.371 0.474 20 0 CCADLP C[C@H](C[C@H](C)[NH2+]CCCO)NC(=O)CCn1cc[nH+]c1 ZINC001135137333 839168533 /nfs/dbraw/zinc/16/85/33/839168533.db2.gz OXWHVTRLBCYNMV-QWHCGFSZSA-N 2 2 282.388 0.529 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)C[NH+]2CCC(C)CC2)co1 ZINC001135688437 839359510 /nfs/dbraw/zinc/35/95/10/839359510.db2.gz PYJMBNVXMLAKQN-UHFFFAOYSA-N 2 2 294.399 0.921 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CC[C@H]1CCOC1 ZINC001135757568 839390949 /nfs/dbraw/zinc/39/09/49/839390949.db2.gz FXEZYWWSIGMVEI-NSHDSACASA-N 2 2 266.345 0.085 20 0 CCADLP Cc1cc(C)n(CC[NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001135757714 839392480 /nfs/dbraw/zinc/39/24/80/839392480.db2.gz MMBLRVSFRDMWIT-UHFFFAOYSA-N 2 2 290.371 0.172 20 0 CCADLP Cc1[nH+]ccn1-c1ccc(N[C@H]([NH3+])CCC[NH3+])nn1 ZINC001170895938 839541078 /nfs/dbraw/zinc/54/10/78/839541078.db2.gz BANPKDSLRQZAES-JTQLQIEISA-N 3 2 261.333 0.406 20 0 CCADLP COCCOc1cc(N[C@@H]([NH3+])CCC[NH3+])cc[nH+]1 ZINC001170902131 839553226 /nfs/dbraw/zinc/55/32/26/839553226.db2.gz BHMKGEPZPGXIPC-LLVKDONJSA-N 3 2 254.334 0.542 20 0 CCADLP F[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCCC2(C1)OCCO2 ZINC001246088763 839603470 /nfs/dbraw/zinc/60/34/70/839603470.db2.gz XJYCBUKWHOQFIC-IJLUTSLNSA-N 2 2 258.337 0.962 20 0 CCADLP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001090601396 839666628 /nfs/dbraw/zinc/66/66/28/839666628.db2.gz QMRKHZSWNXBJHL-KGLIPLIRSA-N 2 2 292.383 0.470 20 0 CCADLP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001090601396 839666631 /nfs/dbraw/zinc/66/66/31/839666631.db2.gz QMRKHZSWNXBJHL-KGLIPLIRSA-N 2 2 292.383 0.470 20 0 CCADLP CCCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001090600495 839667643 /nfs/dbraw/zinc/66/76/43/839667643.db2.gz LFRYPEYWHQRUJS-QWHCGFSZSA-N 2 2 280.372 0.304 20 0 CCADLP CCCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001090600495 839667644 /nfs/dbraw/zinc/66/76/44/839667644.db2.gz LFRYPEYWHQRUJS-QWHCGFSZSA-N 2 2 280.372 0.304 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001185749478 844459888 /nfs/dbraw/zinc/45/98/88/844459888.db2.gz JLLQEJLJGGNYFF-JHJVBQTASA-N 2 2 292.383 0.361 20 0 CCADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C[NH2+]CCCO ZINC001185787379 844460395 /nfs/dbraw/zinc/46/03/95/844460395.db2.gz GALKBRBKAYNNBG-UONOGXRCSA-N 2 2 294.399 0.340 20 0 CCADLP CCOC(=O)CN(CC[NH3+])c1cc(C)cn2cc[nH+]c12 ZINC001170995775 839682801 /nfs/dbraw/zinc/68/28/01/839682801.db2.gz VMYGTHUGPCDUCK-UHFFFAOYSA-N 2 2 276.340 0.971 20 0 CCADLP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001090680319 839731299 /nfs/dbraw/zinc/73/12/99/839731299.db2.gz UECUNBYLURAACY-CHWSQXEVSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001090680319 839731306 /nfs/dbraw/zinc/73/13/06/839731306.db2.gz UECUNBYLURAACY-CHWSQXEVSA-N 2 2 294.399 0.550 20 0 CCADLP CCCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001090727142 839758878 /nfs/dbraw/zinc/75/88/78/839758878.db2.gz HULAMDVVEHTXQY-UONOGXRCSA-N 2 2 294.399 0.314 20 0 CCADLP CCCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001090727142 839758886 /nfs/dbraw/zinc/75/88/86/839758886.db2.gz HULAMDVVEHTXQY-UONOGXRCSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1C[NH2+]C[C@H]1CO ZINC001246299502 839775560 /nfs/dbraw/zinc/77/55/60/839775560.db2.gz LFLWTYDDNBGIBW-OSMZGAPFSA-N 2 2 252.333 0.927 20 0 CCADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cnc[nH]1 ZINC001136868678 839791766 /nfs/dbraw/zinc/79/17/66/839791766.db2.gz OIQXANPVOQWKRH-UONOGXRCSA-N 2 2 263.389 0.620 20 0 CCADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cnc[nH]1 ZINC001136868678 839791774 /nfs/dbraw/zinc/79/17/74/839791774.db2.gz OIQXANPVOQWKRH-UONOGXRCSA-N 2 2 263.389 0.620 20 0 CCADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1c[nH]cn1 ZINC001136868678 839791785 /nfs/dbraw/zinc/79/17/85/839791785.db2.gz OIQXANPVOQWKRH-UONOGXRCSA-N 2 2 263.389 0.620 20 0 CCADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1c[nH]cn1 ZINC001136868678 839791797 /nfs/dbraw/zinc/79/17/97/839791797.db2.gz OIQXANPVOQWKRH-UONOGXRCSA-N 2 2 263.389 0.620 20 0 CCADLP C[C@H](O)CCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001185918505 844474863 /nfs/dbraw/zinc/47/48/63/844474863.db2.gz MCUIQHPVBIBKRA-NWDGAFQWSA-N 2 2 280.372 0.304 20 0 CCADLP C1C[N@@H+](C2CC[NH2+]CC2)C[C@@H]1N[C@H]1CCC[NH2+]C1 ZINC001246371312 839825564 /nfs/dbraw/zinc/82/55/64/839825564.db2.gz JFFDJGFCAZEJEO-QWHCGFSZSA-N 3 2 252.406 0.154 20 0 CCADLP C1C[N@H+](C2CC[NH2+]CC2)C[C@@H]1N[C@H]1CCC[NH2+]C1 ZINC001246371312 839825569 /nfs/dbraw/zinc/82/55/69/839825569.db2.gz JFFDJGFCAZEJEO-QWHCGFSZSA-N 3 2 252.406 0.154 20 0 CCADLP CCCC(C[NH3+])(CCC)N[C@@H]1C[NH2+][C@@H](C(=O)OC)C1 ZINC001246493533 839873235 /nfs/dbraw/zinc/87/32/35/839873235.db2.gz BZWXRMSYMSCRQA-NWDGAFQWSA-N 2 2 271.405 0.777 20 0 CCADLP CN(CCC1OCCO1)C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001160683517 840122818 /nfs/dbraw/zinc/12/28/18/840122818.db2.gz NGQVEWPNZZUVBK-ZDUSSCGKSA-N 2 2 293.367 0.480 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]C[C@@H]1C[C@@]12CCOC2 ZINC001149122731 840327056 /nfs/dbraw/zinc/32/70/56/840327056.db2.gz AJBGIBZWHSTRQK-SWLSCSKDSA-N 2 2 292.383 0.393 20 0 CCADLP C[C@H](C[C@H](C)[NH2+]CC(N)=O)NC(=O)CCCn1cc[nH+]c1 ZINC001146706809 840346978 /nfs/dbraw/zinc/34/69/78/840346978.db2.gz JEXLWKYPKLRKPI-NWDGAFQWSA-N 2 2 295.387 0.022 20 0 CCADLP C[C@H](C[C@@H](C)[NH2+]CCCO)NC(=O)CCCn1cc[nH+]c1 ZINC001146716315 840351030 /nfs/dbraw/zinc/35/10/30/840351030.db2.gz ZCPJGKKULBIVOY-ZIAGYGMSSA-N 2 2 296.415 0.919 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CC[C@@H](C)F ZINC001149124029 840519797 /nfs/dbraw/zinc/51/97/97/840519797.db2.gz OUWYDIMUYARYAP-SECBINFHSA-N 2 2 256.325 0.715 20 0 CCADLP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC[NH2+]Cc2cnon2)C1 ZINC001147834792 840694605 /nfs/dbraw/zinc/69/46/05/840694605.db2.gz MUCLPJYOYZEVHY-AAEUAGOBSA-N 2 2 295.387 0.396 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)C[C@H]2CC[N@H+](C)C2)o1 ZINC001147894170 840707022 /nfs/dbraw/zinc/70/70/22/840707022.db2.gz ZUXMSQIGRUFHCO-ZYHUDNBSSA-N 2 2 295.387 0.487 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)C[C@H]2CC[N@@H+](C)C2)o1 ZINC001147894170 840707032 /nfs/dbraw/zinc/70/70/32/840707032.db2.gz ZUXMSQIGRUFHCO-ZYHUDNBSSA-N 2 2 295.387 0.487 20 0 CCADLP C[C@@H]1C[C@H](C[NH2+]CCNC(=O)Cc2c[nH+]cn2C)CCO1 ZINC001147871860 840709043 /nfs/dbraw/zinc/70/90/43/840709043.db2.gz PIPDRRYMXFVNEM-CHWSQXEVSA-N 2 2 294.399 0.484 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1)c1csnn1 ZINC001147884160 840714181 /nfs/dbraw/zinc/71/41/81/840714181.db2.gz AMIGCWOAUYLVMR-GHMZBOCLSA-N 2 2 297.428 0.647 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1)c1csnn1 ZINC001147884160 840714185 /nfs/dbraw/zinc/71/41/85/840714185.db2.gz AMIGCWOAUYLVMR-GHMZBOCLSA-N 2 2 297.428 0.647 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]Cc1ccns1 ZINC001147878097 840715064 /nfs/dbraw/zinc/71/50/64/840715064.db2.gz RSWHQFDAMYAORY-UHFFFAOYSA-N 2 2 279.369 0.325 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]Cc1cncc(F)c1 ZINC001147900291 840720303 /nfs/dbraw/zinc/72/03/03/840720303.db2.gz LNJLCPADGKLJHR-UHFFFAOYSA-N 2 2 291.330 0.403 20 0 CCADLP Cc1noc([C@H](C)[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001148000278 840730376 /nfs/dbraw/zinc/73/03/76/840730376.db2.gz MVLKQWPPVCYMHV-JTQLQIEISA-N 2 2 293.371 0.241 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001186583352 844571131 /nfs/dbraw/zinc/57/11/31/844571131.db2.gz DNIOLSBRVAPXIQ-UDIQPFLZSA-N 2 2 268.748 0.895 20 0 CCADLP CN1CCOc2c1cn[nH+]c2NC[C@@H]1CCCC[NH2+]1 ZINC001171327319 840772829 /nfs/dbraw/zinc/77/28/29/840772829.db2.gz DZYOPAMGWZJIOY-JTQLQIEISA-N 2 2 263.345 0.859 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001148638617 840874331 /nfs/dbraw/zinc/87/43/31/840874331.db2.gz JWGLXPNJZSJVMK-UHFFFAOYSA-N 2 2 279.388 0.333 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001148638617 840874336 /nfs/dbraw/zinc/87/43/36/840874336.db2.gz JWGLXPNJZSJVMK-UHFFFAOYSA-N 2 2 279.388 0.333 20 0 CCADLP CC[C@H](C(=O)N(CC)CC[NH2+]Cc1nncs1)[NH+](C)C ZINC001273450658 840928526 /nfs/dbraw/zinc/92/85/26/840928526.db2.gz VDJGXJDGYLAEBA-LLVKDONJSA-N 2 2 299.444 0.816 20 0 CCADLP COCC[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001092050348 840984925 /nfs/dbraw/zinc/98/49/25/840984925.db2.gz RKMFANIJKQXTJB-DOMZBBRYSA-N 2 2 292.383 0.379 20 0 CCADLP COCC[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001092050348 840984932 /nfs/dbraw/zinc/98/49/32/840984932.db2.gz RKMFANIJKQXTJB-DOMZBBRYSA-N 2 2 292.383 0.379 20 0 CCADLP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000713043713 841119390 /nfs/dbraw/zinc/11/93/90/841119390.db2.gz WPTXGFILIJHKOH-STQMWFEESA-N 2 2 285.432 0.833 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)CCO1 ZINC000715013078 841242857 /nfs/dbraw/zinc/24/28/57/841242857.db2.gz YDURBLOYIDDBQF-RDBSUJKOSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)CCO1 ZINC000715013078 841242860 /nfs/dbraw/zinc/24/28/60/841242860.db2.gz YDURBLOYIDDBQF-RDBSUJKOSA-N 2 2 281.400 0.308 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]2[C@H](CC[N@H+]2CCCO)C1 ZINC001036854276 841397773 /nfs/dbraw/zinc/39/77/73/841397773.db2.gz IRHMFZLJHNNRLS-OLZOCXBDSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]2[C@H](CC[N@@H+]2CCCO)C1 ZINC001036854276 841397786 /nfs/dbraw/zinc/39/77/86/841397786.db2.gz IRHMFZLJHNNRLS-OLZOCXBDSA-N 2 2 292.383 0.257 20 0 CCADLP Cc1nc(NCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)cc[nH+]1 ZINC001093896583 841490110 /nfs/dbraw/zinc/49/01/10/841490110.db2.gz WZIWCFVQVQUCLO-CYBMUJFWSA-N 2 2 289.383 0.655 20 0 CCADLP Cc1nc(NCCNC(=O)[C@@H]2CCCC[N@H+]2C)cc[nH+]1 ZINC001094044568 841518787 /nfs/dbraw/zinc/51/87/87/841518787.db2.gz AJTRKAPYFKVHIY-LBPRGKRZSA-N 2 2 277.372 0.797 20 0 CCADLP Cc1nc(NCCNC(=O)[C@@H]2CCCC[N@@H+]2C)cc[nH+]1 ZINC001094044568 841518796 /nfs/dbraw/zinc/51/87/96/841518796.db2.gz AJTRKAPYFKVHIY-LBPRGKRZSA-N 2 2 277.372 0.797 20 0 CCADLP CC(C)[NH+]1CCN(C2C[C@@H]3COC[C@H](C2)[N@@H+]3C)CC1 ZINC001172133369 841838974 /nfs/dbraw/zinc/83/89/74/841838974.db2.gz DJCMTUIETCCWCM-GOOCMWNKSA-N 2 2 267.417 0.874 20 0 CCADLP CC(C)[NH+]1CCN(C2C[C@@H]3COC[C@H](C2)[N@H+]3C)CC1 ZINC001172133369 841838979 /nfs/dbraw/zinc/83/89/79/841838979.db2.gz DJCMTUIETCCWCM-GOOCMWNKSA-N 2 2 267.417 0.874 20 0 CCADLP C[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC(=O)N1 ZINC001172117479 841851897 /nfs/dbraw/zinc/85/18/97/841851897.db2.gz HHAGOFIYMUMFQI-FVCCEPFGSA-N 2 2 251.374 0.822 20 0 CCADLP C[C@@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC(=O)N1 ZINC001172117479 841851901 /nfs/dbraw/zinc/85/19/01/841851901.db2.gz HHAGOFIYMUMFQI-FVCCEPFGSA-N 2 2 251.374 0.822 20 0 CCADLP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC(=O)N1 ZINC001172117479 841851907 /nfs/dbraw/zinc/85/19/07/841851907.db2.gz HHAGOFIYMUMFQI-FVCCEPFGSA-N 2 2 251.374 0.822 20 0 CCADLP C[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC(=O)N1 ZINC001172117479 841851913 /nfs/dbraw/zinc/85/19/13/841851913.db2.gz HHAGOFIYMUMFQI-FVCCEPFGSA-N 2 2 251.374 0.822 20 0 CCADLP COCCC[NH+]1CCC([NH+]2CC3(CC(O)C3)C2)CC1 ZINC001172249657 841908875 /nfs/dbraw/zinc/90/88/75/841908875.db2.gz MJUDJWWUVLFUFF-UHFFFAOYSA-N 2 2 268.401 0.944 20 0 CCADLP [NH3+][C@H]1CC[N@H+](Cc2cnc3n2CC[NH2+]CC3)CC[C@@H]1F ZINC001206165283 841934395 /nfs/dbraw/zinc/93/43/95/841934395.db2.gz NDFYVIBMOBHUAV-STQMWFEESA-N 3 2 281.379 0.290 20 0 CCADLP [NH3+][C@H]1CC[N@@H+](Cc2cnc3n2CC[NH2+]CC3)CC[C@@H]1F ZINC001206165283 841934412 /nfs/dbraw/zinc/93/44/12/841934412.db2.gz NDFYVIBMOBHUAV-STQMWFEESA-N 3 2 281.379 0.290 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc3n2CC[NH2+]C3)CC[C@@H]1F ZINC001206172762 841953817 /nfs/dbraw/zinc/95/38/17/841953817.db2.gz BUMSGKKWVOHBMY-UONOGXRCSA-N 3 2 266.364 0.853 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3n2CC[NH2+]C3)CC[C@@H]1F ZINC001206172762 841953825 /nfs/dbraw/zinc/95/38/25/841953825.db2.gz BUMSGKKWVOHBMY-UONOGXRCSA-N 3 2 266.364 0.853 20 0 CCADLP COCCn1cc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cn1 ZINC001206173570 841956181 /nfs/dbraw/zinc/95/61/81/841956181.db2.gz IHRVTUOYNSVQRI-OLZOCXBDSA-N 2 2 270.352 0.791 20 0 CCADLP COCCn1cc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cn1 ZINC001206173570 841956188 /nfs/dbraw/zinc/95/61/88/841956188.db2.gz IHRVTUOYNSVQRI-OLZOCXBDSA-N 2 2 270.352 0.791 20 0 CCADLP CO[C@H]1CCC[C@H]([NH2+]C2(CO)CC[NH+](C)CC2)C1 ZINC001172934056 841986500 /nfs/dbraw/zinc/98/65/00/841986500.db2.gz PDRJEIYXRRFNSM-STQMWFEESA-N 2 2 256.390 0.990 20 0 CCADLP CO[C@H]1CCC[C@@H]([NH2+]C2(CO)CC[NH+](C)CC2)C1 ZINC001172934054 841987026 /nfs/dbraw/zinc/98/70/26/841987026.db2.gz PDRJEIYXRRFNSM-OLZOCXBDSA-N 2 2 256.390 0.990 20 0 CCADLP CC[N@@H+]1CC[C@@H](N2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC001173364384 842062186 /nfs/dbraw/zinc/06/21/86/842062186.db2.gz VPUFDPVVBLIROG-MRXNPFEDSA-N 2 2 296.459 0.030 20 0 CCADLP CC[N@H+]1CC[C@@H](N2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC001173364384 842062198 /nfs/dbraw/zinc/06/21/98/842062198.db2.gz VPUFDPVVBLIROG-MRXNPFEDSA-N 2 2 296.459 0.030 20 0 CCADLP CC[N@@H+]1CC[C@H](N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC001173366096 842068712 /nfs/dbraw/zinc/06/87/12/842068712.db2.gz WJAMFHMUYQUNAF-UONOGXRCSA-N 2 2 253.390 0.487 20 0 CCADLP CC[N@H+]1CC[C@H](N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC001173366096 842068721 /nfs/dbraw/zinc/06/87/21/842068721.db2.gz WJAMFHMUYQUNAF-UONOGXRCSA-N 2 2 253.390 0.487 20 0 CCADLP CC[C@@H](C[NH2+]CCCNC(=O)CCc1c[nH+]cn1C)OC ZINC001175003949 842223928 /nfs/dbraw/zinc/22/39/28/842223928.db2.gz YHSCBZQUGFZZQS-AWEZNQCLSA-N 2 2 296.415 0.874 20 0 CCADLP CC[NH+](CC)CCC[N@@H+]1CC[C@H](c2nn[nH]n2)C1 ZINC001175698163 842267873 /nfs/dbraw/zinc/26/78/73/842267873.db2.gz LTTCCLSBACCCIY-NSHDSACASA-N 2 2 252.366 0.721 20 0 CCADLP CC[NH+](CC)CCC[N@H+]1CC[C@H](c2nn[nH]n2)C1 ZINC001175698163 842267880 /nfs/dbraw/zinc/26/78/80/842267880.db2.gz LTTCCLSBACCCIY-NSHDSACASA-N 2 2 252.366 0.721 20 0 CCADLP COCCC1([NH3+])CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001176835893 842421458 /nfs/dbraw/zinc/42/14/58/842421458.db2.gz GUEGZGJDIBAKCY-UHFFFAOYSA-N 2 2 266.345 0.309 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N(c1ncccn1)C1C[NH2+]C1 ZINC001177994422 842734644 /nfs/dbraw/zinc/73/46/44/842734644.db2.gz FGRQBIPKXLVRHX-UHFFFAOYSA-N 2 2 272.312 0.137 20 0 CCADLP CCn1nc(C)c(C[NH2+][C@H]2CCn3cc[nH+]c3C2)n1 ZINC001178528111 842867933 /nfs/dbraw/zinc/86/79/33/842867933.db2.gz KHAFCXCWNMIDQG-NSHDSACASA-N 2 2 260.345 0.908 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H]1C ZINC001178932426 842937217 /nfs/dbraw/zinc/93/72/17/842937217.db2.gz KUIPQEJJNOSDHP-LOWDOPEQSA-N 2 2 292.383 0.739 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H]1C ZINC001178932426 842937231 /nfs/dbraw/zinc/93/72/31/842937231.db2.gz KUIPQEJJNOSDHP-LOWDOPEQSA-N 2 2 292.383 0.739 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001179617639 843027646 /nfs/dbraw/zinc/02/76/46/843027646.db2.gz JNXDNZCYEFJLPM-MDZLAQPJSA-N 2 2 280.372 0.566 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001180006708 843098410 /nfs/dbraw/zinc/09/84/10/843098410.db2.gz FCLDKAMPEADIDF-WXHSDQCUSA-N 2 2 294.399 0.875 20 0 CCADLP COCCCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001180287638 843142360 /nfs/dbraw/zinc/14/23/60/843142360.db2.gz CLUAJFDVJFABPN-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C[NH+](C)C1CCCC1 ZINC001180630931 843236632 /nfs/dbraw/zinc/23/66/32/843236632.db2.gz SCJDXNSVFVCTEA-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C[NH+](C)C1CCCC1 ZINC001180630931 843236640 /nfs/dbraw/zinc/23/66/40/843236640.db2.gz SCJDXNSVFVCTEA-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)C[N@H+](C)C1CCCC1 ZINC001180630931 843236649 /nfs/dbraw/zinc/23/66/49/843236649.db2.gz SCJDXNSVFVCTEA-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)C[N@@H+](C)C1CCCC1 ZINC001180630931 843236655 /nfs/dbraw/zinc/23/66/55/843236655.db2.gz SCJDXNSVFVCTEA-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCCC[C@H]2C[NH+]2CCCC2)C1 ZINC001180761438 843289538 /nfs/dbraw/zinc/28/95/38/843289538.db2.gz ZBJCWQXDASVKJJ-GJZGRUSLSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CCCC[C@H]2C[NH+]2CCCC2)C1 ZINC001180761438 843289545 /nfs/dbraw/zinc/28/95/45/843289545.db2.gz ZBJCWQXDASVKJJ-GJZGRUSLSA-N 2 2 295.427 0.794 20 0 CCADLP Cc1ccn2c(C[N@@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)cnc2c1 ZINC001206464547 843631582 /nfs/dbraw/zinc/63/15/82/843631582.db2.gz QAXLRHKQBNJUKY-WCQYABFASA-N 2 2 260.341 0.394 20 0 CCADLP Cc1ccn2c(C[N@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)cnc2c1 ZINC001206464547 843631583 /nfs/dbraw/zinc/63/15/83/843631583.db2.gz QAXLRHKQBNJUKY-WCQYABFASA-N 2 2 260.341 0.394 20 0 CCADLP COc1cc(OC)c(OC)cc1C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206512422 843809346 /nfs/dbraw/zinc/80/93/46/843809346.db2.gz OOWQVTUZOUDHDC-RYUDHWBXSA-N 2 2 296.367 0.464 20 0 CCADLP COc1cc(OC)c(OC)cc1C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206512422 843809362 /nfs/dbraw/zinc/80/93/62/843809362.db2.gz OOWQVTUZOUDHDC-RYUDHWBXSA-N 2 2 296.367 0.464 20 0 CCADLP C[NH+](C)C1(C(=O)N[C@H](C[NH+]2CCOCC2)C(C)(C)C)CC1 ZINC001182601728 843873246 /nfs/dbraw/zinc/87/32/46/843873246.db2.gz LUUWCDWGYFHRKO-CYBMUJFWSA-N 2 2 297.443 0.944 20 0 CCADLP CCOCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001183126620 843964125 /nfs/dbraw/zinc/96/41/25/843964125.db2.gz TZXBHHGTLWEKGJ-CYBMUJFWSA-N 2 2 280.372 0.569 20 0 CCADLP CCOCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001183126620 843964131 /nfs/dbraw/zinc/96/41/31/843964131.db2.gz TZXBHHGTLWEKGJ-CYBMUJFWSA-N 2 2 280.372 0.569 20 0 CCADLP C[C@H](O)CCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001183115628 843967542 /nfs/dbraw/zinc/96/75/42/843967542.db2.gz JJQZPFWPYMCVMD-GXTWGEPZSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@H](O)CCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001183115628 843967548 /nfs/dbraw/zinc/96/75/48/843967548.db2.gz JJQZPFWPYMCVMD-GXTWGEPZSA-N 2 2 294.399 0.694 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001183365377 844007484 /nfs/dbraw/zinc/00/74/84/844007484.db2.gz ITOQUCUKRHHFOU-CYBMUJFWSA-N 2 2 282.388 0.732 20 0 CCADLP CCN(CC[NH2+]Cc1cnsn1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001273546334 844748906 /nfs/dbraw/zinc/74/89/06/844748906.db2.gz LXOLOTCCTXZXDA-GFCCVEGCSA-N 2 2 297.428 0.570 20 0 CCADLP CCN(CC[NH2+]Cc1cnsn1)C(=O)[C@H]1CCC[N@H+]1C ZINC001273546334 844748909 /nfs/dbraw/zinc/74/89/09/844748909.db2.gz LXOLOTCCTXZXDA-GFCCVEGCSA-N 2 2 297.428 0.570 20 0 CCADLP Cc1noc(C[NH2+][C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)n1 ZINC001188145429 844835938 /nfs/dbraw/zinc/83/59/38/844835938.db2.gz GLHZTCGDANTDIV-GFCCVEGCSA-N 2 2 295.387 0.409 20 0 CCADLP Cc1noc(C[NH2+][C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)n1 ZINC001188145429 844835943 /nfs/dbraw/zinc/83/59/43/844835943.db2.gz GLHZTCGDANTDIV-GFCCVEGCSA-N 2 2 295.387 0.409 20 0 CCADLP COCCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001188368613 844874861 /nfs/dbraw/zinc/87/48/61/844874861.db2.gz FTCSWLWVUZUOGB-GFCCVEGCSA-N 2 2 266.345 0.110 20 0 CCADLP CN(CCC[N@H+](C)CCF)C(=O)Cn1cc[nH+]c1 ZINC001273598900 845382613 /nfs/dbraw/zinc/38/26/13/845382613.db2.gz KCHZYDXUDBWSFU-UHFFFAOYSA-N 2 2 256.325 0.633 20 0 CCADLP CN(CCC[N@@H+](C)CCF)C(=O)Cn1cc[nH+]c1 ZINC001273598900 845382619 /nfs/dbraw/zinc/38/26/19/845382619.db2.gz KCHZYDXUDBWSFU-UHFFFAOYSA-N 2 2 256.325 0.633 20 0 CCADLP CO[C@H](C)C[N@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001191632084 845698761 /nfs/dbraw/zinc/69/87/61/845698761.db2.gz BPWRDOJTXIVHKH-KGLIPLIRSA-N 2 2 294.399 0.841 20 0 CCADLP CO[C@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001191632084 845698765 /nfs/dbraw/zinc/69/87/65/845698765.db2.gz BPWRDOJTXIVHKH-KGLIPLIRSA-N 2 2 294.399 0.841 20 0 CCADLP COC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192561128 845871112 /nfs/dbraw/zinc/87/11/12/845871112.db2.gz XPEFIBWJDMJUHN-YPMHNXCESA-N 2 2 280.372 0.520 20 0 CCADLP COC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192561128 845871121 /nfs/dbraw/zinc/87/11/21/845871121.db2.gz XPEFIBWJDMJUHN-YPMHNXCESA-N 2 2 280.372 0.520 20 0 CCADLP CO[C@@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001193460414 846080666 /nfs/dbraw/zinc/08/06/66/846080666.db2.gz CBHIXERQSWKGEE-QWHCGFSZSA-N 2 2 294.399 0.530 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001193460414 846080676 /nfs/dbraw/zinc/08/06/76/846080676.db2.gz CBHIXERQSWKGEE-QWHCGFSZSA-N 2 2 294.399 0.530 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2cccc(F)n2)C1 ZINC001205683548 846462089 /nfs/dbraw/zinc/46/20/89/846462089.db2.gz ZRNMXJMOWWQCEL-CYBMUJFWSA-N 2 2 253.321 0.896 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2cccc(F)n2)C1 ZINC001205683548 846462091 /nfs/dbraw/zinc/46/20/91/846462091.db2.gz ZRNMXJMOWWQCEL-CYBMUJFWSA-N 2 2 253.321 0.896 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC001250973875 846691548 /nfs/dbraw/zinc/69/15/48/846691548.db2.gz IEVYHIWIDMNGDP-NXEZZACHSA-N 2 2 297.321 0.052 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC001250973875 846691552 /nfs/dbraw/zinc/69/15/52/846691552.db2.gz IEVYHIWIDMNGDP-NXEZZACHSA-N 2 2 297.321 0.052 20 0 CCADLP COCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001110506367 847089031 /nfs/dbraw/zinc/08/90/31/847089031.db2.gz OXEFJPPVSKUWLM-UPJWGTAASA-N 2 2 292.383 0.710 20 0 CCADLP COCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001110506367 847089044 /nfs/dbraw/zinc/08/90/44/847089044.db2.gz OXEFJPPVSKUWLM-UPJWGTAASA-N 2 2 292.383 0.710 20 0 CCADLP CC[C@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199111969 847232967 /nfs/dbraw/zinc/23/29/67/847232967.db2.gz UTFPEQPVVCUWOG-YNEHKIRRSA-N 2 2 289.395 0.236 20 0 CCADLP CC[C@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001199111969 847232973 /nfs/dbraw/zinc/23/29/73/847232973.db2.gz UTFPEQPVVCUWOG-YNEHKIRRSA-N 2 2 289.395 0.236 20 0 CCADLP CC[C@H](F)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199111969 847232983 /nfs/dbraw/zinc/23/29/83/847232983.db2.gz UTFPEQPVVCUWOG-YNEHKIRRSA-N 2 2 289.395 0.236 20 0 CCADLP CC[C@H](F)C[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199111969 847232993 /nfs/dbraw/zinc/23/29/93/847232993.db2.gz UTFPEQPVVCUWOG-YNEHKIRRSA-N 2 2 289.395 0.236 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O ZINC001199353202 847296818 /nfs/dbraw/zinc/29/68/18/847296818.db2.gz DLRAJVXSQKSEGO-ZIAGYGMSSA-N 2 2 292.383 0.235 20 0 CCADLP Cc1cc(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)nn1C ZINC001200162048 847549432 /nfs/dbraw/zinc/54/94/32/847549432.db2.gz XRFSQSRTZNOMIX-LBPRGKRZSA-N 2 2 265.405 0.454 20 0 CCADLP CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCCO1 ZINC001201856560 847817855 /nfs/dbraw/zinc/81/78/55/847817855.db2.gz LSJYGXXOZXTHOK-CQSZACIVSA-N 2 2 294.399 0.580 20 0 CCADLP CCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCCO1 ZINC001201856559 847818311 /nfs/dbraw/zinc/81/83/11/847818311.db2.gz LSJYGXXOZXTHOK-AWEZNQCLSA-N 2 2 294.399 0.580 20 0 CCADLP COC(=O)CCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001202264525 847875555 /nfs/dbraw/zinc/87/55/55/847875555.db2.gz YKPPWSHREFGMEG-GFCCVEGCSA-N 2 2 285.388 0.082 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]C/C(Cl)=C\Cl ZINC001153495101 848010664 /nfs/dbraw/zinc/01/06/64/848010664.db2.gz ABKRWVRXMAXFMN-WEVVVXLNSA-N 2 2 277.155 0.908 20 0 CCADLP CO[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]c[nH+]1 ZINC001114384128 848029236 /nfs/dbraw/zinc/02/92/36/848029236.db2.gz FJNWCFMVFCXLIL-PBOSXPJTSA-N 2 2 292.383 0.424 20 0 CCADLP CO[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]c[nH+]1 ZINC001114384128 848029243 /nfs/dbraw/zinc/02/92/43/848029243.db2.gz FJNWCFMVFCXLIL-PBOSXPJTSA-N 2 2 292.383 0.424 20 0 CCADLP CO[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]c[nH]1 ZINC001114384128 848029251 /nfs/dbraw/zinc/02/92/51/848029251.db2.gz FJNWCFMVFCXLIL-PBOSXPJTSA-N 2 2 292.383 0.424 20 0 CCADLP CO[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]c[nH]1 ZINC001114384128 848029260 /nfs/dbraw/zinc/02/92/60/848029260.db2.gz FJNWCFMVFCXLIL-PBOSXPJTSA-N 2 2 292.383 0.424 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+]C1(C)CCS(=O)(=O)CC1 ZINC001253214339 848160860 /nfs/dbraw/zinc/16/08/60/848160860.db2.gz OFQNDDDUCLOMPC-LBPRGKRZSA-N 2 2 292.445 0.246 20 0 CCADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@H](O)c1ccc(F)c(F)c1 ZINC000717317092 848227895 /nfs/dbraw/zinc/22/78/95/848227895.db2.gz LJDPVLBDTLSYMY-GWCFXTLKSA-N 2 2 274.311 0.510 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC/C=C\C[NH2+]C[C@H]1CCOC1 ZINC001274511334 848493741 /nfs/dbraw/zinc/49/37/41/848493741.db2.gz PJDBTLTXJKKVQQ-XQJDBVBESA-N 2 2 292.383 0.261 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC/C=C\C[NH2+]CCCF ZINC001274534019 848496984 /nfs/dbraw/zinc/49/69/84/848496984.db2.gz HTBKVXZAWPJUIV-IHWYPQMZSA-N 2 2 268.336 0.882 20 0 CCADLP Cc1[nH]c(C[N@H+]2CCC[C@]3(CC(=O)N(C)C3=O)C2)c[nH+]1 ZINC001274578069 848510452 /nfs/dbraw/zinc/51/04/52/848510452.db2.gz ROAWMUDJMLNYMA-AWEZNQCLSA-N 2 2 276.340 0.689 20 0 CCADLP Cc1[nH]c(C[N@@H+]2CCC[C@]3(CC(=O)N(C)C3=O)C2)c[nH+]1 ZINC001274578069 848510456 /nfs/dbraw/zinc/51/04/56/848510456.db2.gz ROAWMUDJMLNYMA-AWEZNQCLSA-N 2 2 276.340 0.689 20 0 CCADLP Cc1nonc1C[NH2+]C/C=C\CNC(=O)C[N@H+](C)C(C)C ZINC001274608127 848520450 /nfs/dbraw/zinc/52/04/50/848520450.db2.gz DMTXCDLLVPFQEF-WAYWQWQTSA-N 2 2 295.387 0.480 20 0 CCADLP Cc1nonc1C[NH2+]C/C=C\CNC(=O)C[N@@H+](C)C(C)C ZINC001274608127 848520444 /nfs/dbraw/zinc/52/04/44/848520444.db2.gz DMTXCDLLVPFQEF-WAYWQWQTSA-N 2 2 295.387 0.480 20 0 CCADLP COCCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001274647199 848530443 /nfs/dbraw/zinc/53/04/43/848530443.db2.gz ZIPPUJXOZZTCIC-CHWSQXEVSA-N 2 2 294.399 0.958 20 0 CCADLP COCCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001274647199 848530447 /nfs/dbraw/zinc/53/04/47/848530447.db2.gz ZIPPUJXOZZTCIC-CHWSQXEVSA-N 2 2 294.399 0.958 20 0 CCADLP COCCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001275209040 848667571 /nfs/dbraw/zinc/66/75/71/848667571.db2.gz OONUWRQEEQWOTK-STQMWFEESA-N 2 2 294.399 0.576 20 0 CCADLP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3cncs3)C[C@@H]21 ZINC001276058533 848912538 /nfs/dbraw/zinc/91/25/38/848912538.db2.gz DHQZUXSJDSYSRE-KBPBESRZSA-N 2 2 296.440 0.590 20 0 CCADLP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3cncs3)C[C@@H]21 ZINC001276058533 848912542 /nfs/dbraw/zinc/91/25/42/848912542.db2.gz DHQZUXSJDSYSRE-KBPBESRZSA-N 2 2 296.440 0.590 20 0 CCADLP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1ccc(CO)o1)C2 ZINC001276098359 848925653 /nfs/dbraw/zinc/92/56/53/848925653.db2.gz XRFMYCQZZKPJOJ-UHFFFAOYSA-N 2 2 279.384 0.451 20 0 CCADLP Cn1ccnc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001276229249 848966114 /nfs/dbraw/zinc/96/61/14/848966114.db2.gz KHGWEMQQQXAVQM-KBPBESRZSA-N 2 2 277.416 0.630 20 0 CCADLP Cn1ccnc1C[N@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001276229249 848966119 /nfs/dbraw/zinc/96/61/19/848966119.db2.gz KHGWEMQQQXAVQM-KBPBESRZSA-N 2 2 277.416 0.630 20 0 CCADLP COC[C@@H](C)[NH2+]CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001276297812 848988419 /nfs/dbraw/zinc/98/84/19/848988419.db2.gz MYXWRNAFKLZGIM-LLVKDONJSA-N 2 2 268.361 0.425 20 0 CCADLP CN(CCC[NH2+]Cc1ccccn1)C(=O)Cc1[nH]cc[nH+]1 ZINC001276297201 848988727 /nfs/dbraw/zinc/98/87/27/848988727.db2.gz HHCOCLGCQFZJCQ-UHFFFAOYSA-N 2 2 287.367 0.986 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](OC)CC[C@H]1C ZINC000687198312 849095121 /nfs/dbraw/zinc/09/51/21/849095121.db2.gz RLQKXJLHLLTQSZ-RDBSUJKOSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](OC)CC[C@H]1C ZINC000687198312 849095129 /nfs/dbraw/zinc/09/51/29/849095129.db2.gz RLQKXJLHLLTQSZ-RDBSUJKOSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](OC)CC[C@H]1C ZINC000687198312 849095140 /nfs/dbraw/zinc/09/51/40/849095140.db2.gz RLQKXJLHLLTQSZ-RDBSUJKOSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](OC)CC[C@H]1C ZINC000687198312 849095147 /nfs/dbraw/zinc/09/51/47/849095147.db2.gz RLQKXJLHLLTQSZ-RDBSUJKOSA-N 2 2 274.405 0.425 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)C1(C[NH3+])CCCCC1 ZINC000687718434 849138328 /nfs/dbraw/zinc/13/83/28/849138328.db2.gz VIJSWJIMIFZRRS-LLVKDONJSA-N 2 2 284.404 0.814 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C1(C[NH3+])CCCCC1 ZINC000687718434 849138331 /nfs/dbraw/zinc/13/83/31/849138331.db2.gz VIJSWJIMIFZRRS-LLVKDONJSA-N 2 2 284.404 0.814 20 0 CCADLP [NH3+]C[C@H]1CN(CC[NH+]2CCOCC2)C[C@H]1C(F)(F)F ZINC000720811374 849542007 /nfs/dbraw/zinc/54/20/07/849542007.db2.gz OMJYFLSGRPKTDX-WDEREUQCSA-N 2 2 281.322 0.388 20 0 CCADLP CC(C)CNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720812770 849542630 /nfs/dbraw/zinc/54/26/30/849542630.db2.gz FNDHSYFCGLUPFB-MBNYWOFBSA-N 2 2 253.390 0.688 20 0 CCADLP CC(C)CNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720812770 849542638 /nfs/dbraw/zinc/54/26/38/849542638.db2.gz FNDHSYFCGLUPFB-MBNYWOFBSA-N 2 2 253.390 0.688 20 0 CCADLP Cn1c[nH+]cc1CN1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720826381 849546998 /nfs/dbraw/zinc/54/69/98/849546998.db2.gz FJKHYPBIZFXSQX-WCBMZHEXSA-N 2 2 262.279 0.989 20 0 CCADLP C[C@@H](O)C[NH2+]C1CCC(N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC000964465786 849573928 /nfs/dbraw/zinc/57/39/28/849573928.db2.gz XOIBRJSZDVGFRE-IYXRBSQSSA-N 2 2 294.399 0.623 20 0 CCADLP CC[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1[NH2+]CCO ZINC001037825645 849591902 /nfs/dbraw/zinc/59/19/02/849591902.db2.gz DSIGKAPUPRQIPQ-CHWSQXEVSA-N 2 2 294.399 0.551 20 0 CCADLP O=C(NC[C@H]1CC[N@H+]1CCCF)[C@@H]1CCn2c[nH+]cc2C1 ZINC001038415327 849886816 /nfs/dbraw/zinc/88/68/16/849886816.db2.gz DDZOGOWQEFDJLJ-CHWSQXEVSA-N 2 2 294.374 0.996 20 0 CCADLP O=C(NC[C@H]1CC[N@@H+]1CCCF)[C@@H]1CCn2c[nH+]cc2C1 ZINC001038415327 849886823 /nfs/dbraw/zinc/88/68/23/849886823.db2.gz DDZOGOWQEFDJLJ-CHWSQXEVSA-N 2 2 294.374 0.996 20 0 CCADLP Cn1cc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H]2CC[NH+](C)C2)cn1 ZINC001039005355 850116435 /nfs/dbraw/zinc/11/64/35/850116435.db2.gz FDVAFWFPHFCTDY-KBPBESRZSA-N 2 2 291.399 0.062 20 0 CCADLP Cn1cc(C[N@H+]2CC[C@H]2CNC(=O)[C@H]2CC[NH+](C)C2)cn1 ZINC001039005355 850116437 /nfs/dbraw/zinc/11/64/37/850116437.db2.gz FDVAFWFPHFCTDY-KBPBESRZSA-N 2 2 291.399 0.062 20 0 CCADLP Cn1cc(C[NH+]2CC[C@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001039005355 850116438 /nfs/dbraw/zinc/11/64/38/850116438.db2.gz FDVAFWFPHFCTDY-KBPBESRZSA-N 2 2 291.399 0.062 20 0 CCADLP Cn1cc(C[NH+]2CC[C@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001039005355 850116439 /nfs/dbraw/zinc/11/64/39/850116439.db2.gz FDVAFWFPHFCTDY-KBPBESRZSA-N 2 2 291.399 0.062 20 0 CCADLP COCC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041711805 850488519 /nfs/dbraw/zinc/48/85/19/850488519.db2.gz IQHJJJYTVLBMGJ-OAHLLOKOSA-N 2 2 292.383 0.523 20 0 CCADLP COCC[N@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041711805 850488524 /nfs/dbraw/zinc/48/85/24/850488524.db2.gz IQHJJJYTVLBMGJ-OAHLLOKOSA-N 2 2 292.383 0.523 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@]2(CC[N@@H+](CCF)C2)C1 ZINC001041855765 850512591 /nfs/dbraw/zinc/51/25/91/850512591.db2.gz NZLVZERSKYSBSN-AWEZNQCLSA-N 2 2 280.347 0.777 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@]2(CC[N@H+](CCF)C2)C1 ZINC001041855765 850512595 /nfs/dbraw/zinc/51/25/95/850512595.db2.gz NZLVZERSKYSBSN-AWEZNQCLSA-N 2 2 280.347 0.777 20 0 CCADLP CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001042249040 850601848 /nfs/dbraw/zinc/60/18/48/850601848.db2.gz FGGFQSBDYUULDU-DGCLKSJQSA-N 2 2 262.357 0.895 20 0 CCADLP CC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001042249040 850601850 /nfs/dbraw/zinc/60/18/50/850601850.db2.gz FGGFQSBDYUULDU-DGCLKSJQSA-N 2 2 262.357 0.895 20 0 CCADLP COC[C@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042537881 850686799 /nfs/dbraw/zinc/68/67/99/850686799.db2.gz BPYUQOHJQRNLEM-AAEUAGOBSA-N 2 2 269.389 0.258 20 0 CCADLP COC[C@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001042537881 850686806 /nfs/dbraw/zinc/68/68/06/850686806.db2.gz BPYUQOHJQRNLEM-AAEUAGOBSA-N 2 2 269.389 0.258 20 0 CCADLP CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1C[NH+](CCCF)C1 ZINC001043095899 850810763 /nfs/dbraw/zinc/81/07/63/850810763.db2.gz ODQPDHNBDNSSIV-CYBMUJFWSA-N 2 2 271.380 0.973 20 0 CCADLP CN(C(=O)[C@H]1CCCC[N@H+]1C)C1C[NH+](CCCF)C1 ZINC001043095899 850810768 /nfs/dbraw/zinc/81/07/68/850810768.db2.gz ODQPDHNBDNSSIV-CYBMUJFWSA-N 2 2 271.380 0.973 20 0 CCADLP CC[NH+]1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001043219319 850837939 /nfs/dbraw/zinc/83/79/39/850837939.db2.gz AJYMMJAHXYGCEB-UHFFFAOYSA-N 2 2 251.374 0.777 20 0 CCADLP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1C[NH+](CCOC2CCC2)C1 ZINC001044291201 851061918 /nfs/dbraw/zinc/06/19/18/851061918.db2.gz AQUSNKZUDOGVPS-CYBMUJFWSA-N 2 2 295.427 0.650 20 0 CCADLP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1C[NH+](CCOC2CCC2)C1 ZINC001044291201 851061922 /nfs/dbraw/zinc/06/19/22/851061922.db2.gz AQUSNKZUDOGVPS-CYBMUJFWSA-N 2 2 295.427 0.650 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2C[NH+](CCC(C)C)C2)C1 ZINC001044320639 851074743 /nfs/dbraw/zinc/07/47/43/851074743.db2.gz NKLWIMGWMGTGFN-OAHLLOKOSA-N 2 2 297.443 0.896 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)C2C[NH+](CCC(C)C)C2)C1 ZINC001044320639 851074746 /nfs/dbraw/zinc/07/47/46/851074746.db2.gz NKLWIMGWMGTGFN-OAHLLOKOSA-N 2 2 297.443 0.896 20 0 CCADLP CN(C(=O)Cn1cc[nH+]c1)C1C[NH+](CC[C@H]2CCOC2)C1 ZINC001044365576 851087356 /nfs/dbraw/zinc/08/73/56/851087356.db2.gz VCLVNMXSQGIPDI-ZDUSSCGKSA-N 2 2 292.383 0.452 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001044820414 851165374 /nfs/dbraw/zinc/16/53/74/851165374.db2.gz QKKWOAPXIWTQPH-NEPJUHHUSA-N 2 2 264.373 0.952 20 0 CCADLP CC(C)CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046220378 851426581 /nfs/dbraw/zinc/42/65/81/851426581.db2.gz SUBHWRKZAKZORL-GOEBONIOSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046220378 851426587 /nfs/dbraw/zinc/42/65/87/851426587.db2.gz SUBHWRKZAKZORL-GOEBONIOSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001046220378 851426591 /nfs/dbraw/zinc/42/65/91/851426591.db2.gz SUBHWRKZAKZORL-GOEBONIOSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)CC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001046220378 851426593 /nfs/dbraw/zinc/42/65/93/851426593.db2.gz SUBHWRKZAKZORL-GOEBONIOSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@]1(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC[N@H+](CCO)C1 ZINC001046608952 851565551 /nfs/dbraw/zinc/56/55/51/851565551.db2.gz GYHCDDUNUQDSQX-XHDPSFHLSA-N 2 2 292.383 0.403 20 0 CCADLP C[C@@]1(NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC[N@@H+](CCO)C1 ZINC001046608952 851565556 /nfs/dbraw/zinc/56/55/56/851565556.db2.gz GYHCDDUNUQDSQX-XHDPSFHLSA-N 2 2 292.383 0.403 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCF)C2 ZINC001047211089 851681051 /nfs/dbraw/zinc/68/10/51/851681051.db2.gz YCIVBAVWMSSOEA-XQQFMLRXSA-N 2 2 280.347 0.822 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCF)C2 ZINC001047211089 851681059 /nfs/dbraw/zinc/68/10/59/851681059.db2.gz YCIVBAVWMSSOEA-XQQFMLRXSA-N 2 2 280.347 0.822 20 0 CCADLP CC[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC001049174516 852185142 /nfs/dbraw/zinc/18/51/42/852185142.db2.gz SRPSHXHPNGPGIC-TXEJJXNPSA-N 2 2 262.357 0.373 20 0 CCADLP CC[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC001049174516 852185145 /nfs/dbraw/zinc/18/51/45/852185145.db2.gz SRPSHXHPNGPGIC-TXEJJXNPSA-N 2 2 262.357 0.373 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@H+](C[C@H](C)O)C[C@@H]2C1 ZINC001049190043 852188214 /nfs/dbraw/zinc/18/82/14/852188214.db2.gz FYXNLQPOKKJUOW-WCFLWFBJSA-N 2 2 292.383 0.032 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2C1 ZINC001049190043 852188229 /nfs/dbraw/zinc/18/82/29/852188229.db2.gz FYXNLQPOKKJUOW-WCFLWFBJSA-N 2 2 292.383 0.032 20 0 CCADLP CC(C)[N@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001049248151 852202397 /nfs/dbraw/zinc/20/23/97/852202397.db2.gz OKTBAANLSCKRCN-BETUJISGSA-N 2 2 262.357 0.682 20 0 CCADLP CC(C)[N@@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001049248151 852202404 /nfs/dbraw/zinc/20/24/04/852202404.db2.gz OKTBAANLSCKRCN-BETUJISGSA-N 2 2 262.357 0.682 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCO ZINC001049622941 852320321 /nfs/dbraw/zinc/32/03/21/852320321.db2.gz AFCTWBZAQRCVLK-KBPBESRZSA-N 2 2 292.383 0.331 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCO ZINC001049622941 852320331 /nfs/dbraw/zinc/32/03/31/852320331.db2.gz AFCTWBZAQRCVLK-KBPBESRZSA-N 2 2 292.383 0.331 20 0 CCADLP C[NH2+]CCNC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC001262584073 852527831 /nfs/dbraw/zinc/52/78/31/852527831.db2.gz PXWQWGXBTHEUNM-UHFFFAOYSA-N 2 2 271.390 0.223 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[N@H+](CCF)CC1 ZINC001052869446 852665975 /nfs/dbraw/zinc/66/59/75/852665975.db2.gz DZKJKSHSFOGJEX-LBPRGKRZSA-N 2 2 282.363 0.903 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[N@@H+](CCF)CC1 ZINC001052869446 852665981 /nfs/dbraw/zinc/66/59/81/852665981.db2.gz DZKJKSHSFOGJEX-LBPRGKRZSA-N 2 2 282.363 0.903 20 0 CCADLP COC[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970167 852677421 /nfs/dbraw/zinc/67/74/21/852677421.db2.gz FOWYSILHEJUQJQ-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP COC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970167 852677428 /nfs/dbraw/zinc/67/74/28/852677428.db2.gz FOWYSILHEJUQJQ-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCO2 ZINC001053261422 852720072 /nfs/dbraw/zinc/72/00/72/852720072.db2.gz ZWVMNBPEUFMCPO-CHWSQXEVSA-N 2 2 281.400 0.260 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCO2 ZINC001053261422 852720078 /nfs/dbraw/zinc/72/00/78/852720078.db2.gz ZWVMNBPEUFMCPO-CHWSQXEVSA-N 2 2 281.400 0.260 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCCC[N@@H+]1C)CCO2 ZINC001053309350 852726922 /nfs/dbraw/zinc/72/69/22/852726922.db2.gz FFFFTQJYQUCXAK-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCCC[N@H+]1C)CCO2 ZINC001053309350 852726925 /nfs/dbraw/zinc/72/69/25/852726925.db2.gz FFFFTQJYQUCXAK-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)C[C@H]1CC[N@H+](C)C1)CCO2 ZINC001053506582 852751632 /nfs/dbraw/zinc/75/16/32/852751632.db2.gz KWMJEMBAAIGHRA-CYBMUJFWSA-N 2 2 281.400 0.261 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)C[C@H]1CC[N@@H+](C)C1)CCO2 ZINC001053506582 852751636 /nfs/dbraw/zinc/75/16/36/852751636.db2.gz KWMJEMBAAIGHRA-CYBMUJFWSA-N 2 2 281.400 0.261 20 0 CCADLP CC(C)[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)CO2 ZINC001053846400 852831645 /nfs/dbraw/zinc/83/16/45/852831645.db2.gz DLTJFTSNDCHDRE-ZIAGYGMSSA-N 2 2 295.427 0.839 20 0 CCADLP CC(C)[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)CO2 ZINC001053846400 852831648 /nfs/dbraw/zinc/83/16/48/852831648.db2.gz DLTJFTSNDCHDRE-ZIAGYGMSSA-N 2 2 295.427 0.839 20 0 CCADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)CC1CC[NH+](C)CC1)CO2 ZINC001053945548 852853033 /nfs/dbraw/zinc/85/30/33/852853033.db2.gz ZQWIZZRUJSJSQY-CQSZACIVSA-N 2 2 295.427 0.698 20 0 CCADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)CO2 ZINC001053982201 852863252 /nfs/dbraw/zinc/86/32/52/852863252.db2.gz GAUQCDRIGXKTMS-QWHCGFSZSA-N 2 2 281.400 0.308 20 0 CCADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)CO2 ZINC001053982201 852863258 /nfs/dbraw/zinc/86/32/58/852863258.db2.gz GAUQCDRIGXKTMS-QWHCGFSZSA-N 2 2 281.400 0.308 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)C13CC[NH+](CC1)C3)CO2 ZINC001053984053 852864744 /nfs/dbraw/zinc/86/47/44/852864744.db2.gz OPHFNPGRSJQGDM-LBPRGKRZSA-N 2 2 279.384 0.062 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1[NH2+]CCF ZINC001054925535 853039568 /nfs/dbraw/zinc/03/95/68/853039568.db2.gz QJZGSMXYDJXZBO-VXGBXAGGSA-N 2 2 282.363 0.759 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCO[C@@H](C[NH2+]CC2CC2)C1 ZINC001051883940 853653133 /nfs/dbraw/zinc/65/31/33/853653133.db2.gz CWKCYXRHANOZFB-LBPRGKRZSA-N 2 2 278.356 0.179 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N[C@H]1C[NH+](C2CC2)C[C@@H]1C ZINC001137396006 853783389 /nfs/dbraw/zinc/78/33/89/853783389.db2.gz OEMGANCHQUINKP-WCFLWFBJSA-N 2 2 251.374 0.680 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N[C@H]1C[NH+](C2CC2)C[C@@H]1C ZINC001137396006 853783392 /nfs/dbraw/zinc/78/33/92/853783392.db2.gz OEMGANCHQUINKP-WCFLWFBJSA-N 2 2 251.374 0.680 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC001137396006 853783397 /nfs/dbraw/zinc/78/33/97/853783397.db2.gz OEMGANCHQUINKP-WCFLWFBJSA-N 2 2 251.374 0.680 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC001137396006 853783399 /nfs/dbraw/zinc/78/33/99/853783399.db2.gz OEMGANCHQUINKP-WCFLWFBJSA-N 2 2 251.374 0.680 20 0 CCADLP COCCOCC[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000385721353 853899834 /nfs/dbraw/zinc/89/98/34/853899834.db2.gz NAMKPLGCFDUCON-CYBMUJFWSA-N 2 2 260.378 0.038 20 0 CCADLP COCCOCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000385721353 853899842 /nfs/dbraw/zinc/89/98/42/853899842.db2.gz NAMKPLGCFDUCON-CYBMUJFWSA-N 2 2 260.378 0.038 20 0 CCADLP CCC(C)(C)NC(=O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000386206430 853922836 /nfs/dbraw/zinc/92/28/36/853922836.db2.gz XCTNFAWWJNYGFY-NWDGAFQWSA-N 2 2 253.390 0.833 20 0 CCADLP CCC(C)(C)NC(=O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000386206430 853922838 /nfs/dbraw/zinc/92/28/38/853922838.db2.gz XCTNFAWWJNYGFY-NWDGAFQWSA-N 2 2 253.390 0.833 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1CC[NH3+] ZINC000388793903 853980561 /nfs/dbraw/zinc/98/05/61/853980561.db2.gz SFEIOOWXXUMOLU-KGLIPLIRSA-N 3 2 273.421 0.129 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1CC[NH3+] ZINC000388793903 853980565 /nfs/dbraw/zinc/98/05/65/853980565.db2.gz SFEIOOWXXUMOLU-KGLIPLIRSA-N 3 2 273.421 0.129 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000388793903 853980569 /nfs/dbraw/zinc/98/05/69/853980569.db2.gz SFEIOOWXXUMOLU-KGLIPLIRSA-N 3 2 273.421 0.129 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000388793903 853980575 /nfs/dbraw/zinc/98/05/75/853980575.db2.gz SFEIOOWXXUMOLU-KGLIPLIRSA-N 3 2 273.421 0.129 20 0 CCADLP CC[C@@H](C(=O)N1CC[NH+]([C@H](C)COC)CC1)[NH+](C)C ZINC000151660740 854086705 /nfs/dbraw/zinc/08/67/05/854086705.db2.gz CJWWGXWZVPILHQ-OLZOCXBDSA-N 2 2 271.405 0.506 20 0 CCADLP CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+]C[C@@H]2CCC[NH2+]2)C1 ZINC000397458323 854423728 /nfs/dbraw/zinc/42/37/28/854423728.db2.gz ODUUVDAQRHOJLR-QWHCGFSZSA-N 2 2 299.415 0.964 20 0 CCADLP CC(C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001098774171 854885088 /nfs/dbraw/zinc/88/50/88/854885088.db2.gz WDSYWSJCNNACTJ-LZWOXQAQSA-N 2 2 295.427 0.696 20 0 CCADLP CC(C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001098774171 854885096 /nfs/dbraw/zinc/88/50/96/854885096.db2.gz WDSYWSJCNNACTJ-LZWOXQAQSA-N 2 2 295.427 0.696 20 0 CCADLP CC(C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001098774171 854885107 /nfs/dbraw/zinc/88/51/07/854885107.db2.gz WDSYWSJCNNACTJ-LZWOXQAQSA-N 2 2 295.427 0.696 20 0 CCADLP CC(C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001098774171 854885115 /nfs/dbraw/zinc/88/51/15/854885115.db2.gz WDSYWSJCNNACTJ-LZWOXQAQSA-N 2 2 295.427 0.696 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@H](O)C1 ZINC001100095180 855097913 /nfs/dbraw/zinc/09/79/13/855097913.db2.gz ZDOGQVDJZFJYTC-ZIAGYGMSSA-N 2 2 294.399 0.314 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@H](O)C1 ZINC001100095180 855097918 /nfs/dbraw/zinc/09/79/18/855097918.db2.gz ZDOGQVDJZFJYTC-ZIAGYGMSSA-N 2 2 294.399 0.314 20 0 CCADLP Cc1nc(N(C)CCNC(=O)[C@H](C(C)C)[NH+](C)C)cc[nH+]1 ZINC001100185408 855113642 /nfs/dbraw/zinc/11/36/42/855113642.db2.gz YYDCZWYFMCEBMW-AWEZNQCLSA-N 2 2 293.415 0.924 20 0 CCADLP CCOCC[NH2+]C1CC(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001100290899 855139358 /nfs/dbraw/zinc/13/93/58/855139358.db2.gz JZHIADFTNGCSIM-UHFFFAOYSA-N 2 2 294.399 0.863 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC1CC([NH2+]CCCF)C1 ZINC001100871320 855233823 /nfs/dbraw/zinc/23/38/23/855233823.db2.gz MDROYOWSLPEECN-UHFFFAOYSA-N 2 2 282.363 0.807 20 0 CCADLP COC[C@@H](C)[NH2+]C1CC(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001100921643 855238858 /nfs/dbraw/zinc/23/88/58/855238858.db2.gz WZUFXQGTJSQNLJ-QFWMXSHPSA-N 2 2 294.399 0.780 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC1CC([NH2+]CCCO)C1 ZINC001100934977 855241226 /nfs/dbraw/zinc/24/12/26/855241226.db2.gz JMKQQDNTJNVNCQ-UHFFFAOYSA-N 2 2 294.399 0.220 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1CC([NH2+]C[C@H]2CCOC2)C1 ZINC001101069126 855258883 /nfs/dbraw/zinc/25/88/83/855258883.db2.gz IJKABLSDXPXXSF-IYXRBSQSSA-N 2 2 292.383 0.404 20 0 CCADLP C[C@@H]1C[N@H+](CCF)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001102482785 855437237 /nfs/dbraw/zinc/43/72/37/855437237.db2.gz JDILBTSVMLAKCS-GHMZBOCLSA-N 2 2 268.336 0.606 20 0 CCADLP C[C@@H]1C[N@@H+](CCF)C[C@H]1CNC(=O)Cc1[nH]cc[nH+]1 ZINC001102482785 855437243 /nfs/dbraw/zinc/43/72/43/855437243.db2.gz JDILBTSVMLAKCS-GHMZBOCLSA-N 2 2 268.336 0.606 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001118261383 856230432 /nfs/dbraw/zinc/23/04/32/856230432.db2.gz SSJQJMAGAUXONQ-NWDGAFQWSA-N 2 2 260.403 0.353 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001118261383 856230442 /nfs/dbraw/zinc/23/04/42/856230442.db2.gz SSJQJMAGAUXONQ-NWDGAFQWSA-N 2 2 260.403 0.353 20 0 CCADLP CON(C)C(=O)CC[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC001120484952 857088072 /nfs/dbraw/zinc/08/80/72/857088072.db2.gz KXLPAGNDKFXINR-NSHDSACASA-N 2 2 254.334 0.519 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]C[C@H](O)c1ccccn1 ZINC001120504693 857097873 /nfs/dbraw/zinc/09/78/73/857097873.db2.gz UCWSODDLPDSLGL-STQMWFEESA-N 2 2 253.346 0.017 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001393046441 912354056 /nfs/dbraw/zinc/35/40/56/912354056.db2.gz JOTRJWZDKVQUMG-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001393054449 912362530 /nfs/dbraw/zinc/36/25/30/912362530.db2.gz LOGHHLPPRMZCQU-NEPJUHHUSA-N 2 2 280.372 0.568 20 0 CCADLP C[C@@H](CCNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1ccon1 ZINC001393824522 912782946 /nfs/dbraw/zinc/78/29/46/912782946.db2.gz LHICVFVQPVDNAD-NSHDSACASA-N 2 2 291.355 0.635 20 0 CCADLP C[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)[C@H](C)[NH2+]CCF ZINC001393950068 912875750 /nfs/dbraw/zinc/87/57/50/912875750.db2.gz MKOLKCRIARWZPG-VHSXEESVSA-N 2 2 286.351 0.802 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H](C[NH2+]CCCO)C1CCCC1 ZINC001324517959 912886738 /nfs/dbraw/zinc/88/67/38/912886738.db2.gz NOYNFAMRNPBEEQ-AWEZNQCLSA-N 2 2 294.399 0.530 20 0 CCADLP CN(C[C@@H](O)C[NH2+]CC1CCC1)C(=O)Cn1cc[nH+]c1 ZINC001394762800 913411651 /nfs/dbraw/zinc/41/16/51/913411651.db2.gz IVFMSHZGEJCVAF-ZDUSSCGKSA-N 2 2 280.372 0.092 20 0 CCADLP C[C@H](NC(=O)Cn1cc[nH+]c1)C1CC[NH+](CCO)CC1 ZINC001394848775 913466521 /nfs/dbraw/zinc/46/65/21/913466521.db2.gz YSCQJZPLXJCRPD-LBPRGKRZSA-N 2 2 280.372 0.092 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CCC[N@@H+]1CCF ZINC001481068790 892125802 /nfs/dbraw/zinc/12/58/02/892125802.db2.gz SKGHKIGRGYVDEN-CYBMUJFWSA-N 2 2 282.363 0.903 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CCC[N@H+]1CCF ZINC001481068790 892125805 /nfs/dbraw/zinc/12/58/05/892125805.db2.gz SKGHKIGRGYVDEN-CYBMUJFWSA-N 2 2 282.363 0.903 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)CC[NH2+][C@H](C)c1ncccn1 ZINC001481306694 892560482 /nfs/dbraw/zinc/56/04/82/892560482.db2.gz ZHUWISIPEXDMIV-CYBMUJFWSA-N 2 2 293.415 0.927 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)CC[NH2+][C@H](C)c1ncccn1 ZINC001481306694 892560494 /nfs/dbraw/zinc/56/04/94/892560494.db2.gz ZHUWISIPEXDMIV-CYBMUJFWSA-N 2 2 293.415 0.927 20 0 CCADLP CC(C)OCC[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001282205676 892966173 /nfs/dbraw/zinc/96/61/73/892966173.db2.gz HGSSPAUTTZUHEA-RYUDHWBXSA-N 2 2 282.388 0.860 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC[N@@H+](CCCF)C1 ZINC001481689720 893009151 /nfs/dbraw/zinc/00/91/51/893009151.db2.gz NJSKULDZXLWOTQ-LBPRGKRZSA-N 2 2 268.336 0.892 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC[N@H+](CCCF)C1 ZINC001481689720 893009170 /nfs/dbraw/zinc/00/91/70/893009170.db2.gz NJSKULDZXLWOTQ-LBPRGKRZSA-N 2 2 268.336 0.892 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC[N@@H+](CCCF)C1 ZINC001481689720 893009189 /nfs/dbraw/zinc/00/91/89/893009189.db2.gz NJSKULDZXLWOTQ-LBPRGKRZSA-N 2 2 268.336 0.892 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC[N@H+](CCCF)C1 ZINC001481689720 893009213 /nfs/dbraw/zinc/00/92/13/893009213.db2.gz NJSKULDZXLWOTQ-LBPRGKRZSA-N 2 2 268.336 0.892 20 0 CCADLP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1csnn1 ZINC001481798349 893158965 /nfs/dbraw/zinc/15/89/65/893158965.db2.gz NTQUGAHKGQEURH-PWSUYJOCSA-N 2 2 297.428 0.617 20 0 CCADLP CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1csnn1 ZINC001481798349 893158972 /nfs/dbraw/zinc/15/89/72/893158972.db2.gz NTQUGAHKGQEURH-PWSUYJOCSA-N 2 2 297.428 0.617 20 0 CCADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]C[C@H]1CCCOC1 ZINC001481886043 893246930 /nfs/dbraw/zinc/24/69/30/893246930.db2.gz YWWHOUVTHOJKLV-KGLIPLIRSA-N 2 2 294.399 0.794 20 0 CCADLP C[C@@H](O)C[NH2+]CC[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001481991019 893299719 /nfs/dbraw/zinc/29/97/19/893299719.db2.gz IMYMSIDDHLYUKH-ZIAGYGMSSA-N 2 2 294.399 0.482 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)C[NH2+]Cc1cnon1 ZINC001482164923 893451687 /nfs/dbraw/zinc/45/16/87/893451687.db2.gz ZAFKXAFPVJFRMN-VIFPVBQESA-N 2 2 292.343 0.186 20 0 CCADLP CCC[NH2+]C[C@H](O)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001284446857 893563198 /nfs/dbraw/zinc/56/31/98/893563198.db2.gz PZGCXVUPXCSNMY-OLZOCXBDSA-N 2 2 282.388 0.653 20 0 CCADLP C[C@@H](O)C[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CCCC1 ZINC001482230871 893612890 /nfs/dbraw/zinc/61/28/90/893612890.db2.gz BZESZMIUWHGNAD-LLVKDONJSA-N 2 2 280.372 0.352 20 0 CCADLP C[C@@H](C[NH2+]Cc1ccn(C)n1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001482334841 893883272 /nfs/dbraw/zinc/88/32/72/893883272.db2.gz BIQNGUOXHXUSCW-NSHDSACASA-N 2 2 290.371 0.322 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001482434168 893979104 /nfs/dbraw/zinc/97/91/04/893979104.db2.gz VSLXJPQADRPXNA-RYUDHWBXSA-N 2 2 280.372 0.425 20 0 CCADLP C[C@@H](O)CCC[N@H+](C)CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001482637165 894436644 /nfs/dbraw/zinc/43/66/44/894436644.db2.gz BWKAYSBYWUZROP-GFCCVEGCSA-N 2 2 282.388 0.503 20 0 CCADLP C[C@@H](O)CCC[N@@H+](C)CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001482637165 894436650 /nfs/dbraw/zinc/43/66/50/894436650.db2.gz BWKAYSBYWUZROP-GFCCVEGCSA-N 2 2 282.388 0.503 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NC[C@H](O)C[NH2+]CC1CC1 ZINC001482743278 894563046 /nfs/dbraw/zinc/56/30/46/894563046.db2.gz 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ZINC001409645948 895310895 /nfs/dbraw/zinc/31/08/95/895310895.db2.gz YNAWRFLUAJVLSK-RYUDHWBXSA-N 2 2 280.372 0.425 20 0 CCADLP C[C@@H](C[NH2+]CCF)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001483242405 895370319 /nfs/dbraw/zinc/37/03/19/895370319.db2.gz IJGBZVDZBAPSBO-WDEREUQCSA-N 2 2 268.336 0.509 20 0 CCADLP C[C@@H](C[NH2+]Cc1cncs1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001483270005 895400942 /nfs/dbraw/zinc/40/09/42/895400942.db2.gz HBVXKNTXBQFVJJ-VIFPVBQESA-N 2 2 279.369 0.703 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001483277714 895408168 /nfs/dbraw/zinc/40/81/68/895408168.db2.gz DNVRULZCFWCVQJ-VHSXEESVSA-N 2 2 254.334 0.081 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H](C[NH2+]CCCF)C1CC1 ZINC001483590472 895669955 /nfs/dbraw/zinc/66/99/55/895669955.db2.gz OZJHIPAQIOQIFH-GFCCVEGCSA-N 2 2 268.336 0.796 20 0 CCADLP CO[C@@H](C[NH2+]C1CC[NH+](CCNC(C)=O)CC1)C1CCC1 ZINC001484415786 896385563 /nfs/dbraw/zinc/38/55/63/896385563.db2.gz PHNWTHBEEPEMOY-INIZCTEOSA-N 2 2 297.443 0.992 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC(O)(C[NH2+]CC2CC2)CC1 ZINC001484961554 896680941 /nfs/dbraw/zinc/68/09/41/896680941.db2.gz IIGMERZDRYSDBV-UHFFFAOYSA-N 2 2 292.383 0.305 20 0 CCADLP CC[NH2+]CC1(O)CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001484960787 896687812 /nfs/dbraw/zinc/68/78/12/896687812.db2.gz FVNXBKJWSNJQTP-GFCCVEGCSA-N 2 2 294.399 0.551 20 0 CCADLP CC[NH2+]CC1(O)CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001484960787 896687826 /nfs/dbraw/zinc/68/78/26/896687826.db2.gz FVNXBKJWSNJQTP-GFCCVEGCSA-N 2 2 294.399 0.551 20 0 CCADLP CCC[N@H+](CCO)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001397230374 914105537 /nfs/dbraw/zinc/10/55/37/914105537.db2.gz WYRUYNSFBYEGDH-AWEZNQCLSA-N 2 2 294.399 0.648 20 0 CCADLP Cc1noc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@@H+](C)C(C)C)n1 ZINC001485228303 896877701 /nfs/dbraw/zinc/87/77/01/896877701.db2.gz CTOCRUVPDSHRTG-QWRGUYRKSA-N 2 2 297.403 0.701 20 0 CCADLP Cc1noc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)C(C)C)n1 ZINC001485228303 896877716 /nfs/dbraw/zinc/87/77/16/896877716.db2.gz CTOCRUVPDSHRTG-QWRGUYRKSA-N 2 2 297.403 0.701 20 0 CCADLP C[C@H]([NH2+]CCF)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001485642012 897165223 /nfs/dbraw/zinc/16/52/23/897165223.db2.gz AUPGRMBRZDDLFY-CMPLNLGQSA-N 2 2 284.335 0.127 20 0 CCADLP COCCC[N@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001485769304 897234401 /nfs/dbraw/zinc/23/44/01/897234401.db2.gz KIGZVZVHNHLLQA-UHFFFAOYSA-N 2 2 294.399 0.842 20 0 CCADLP COCCC[N@@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001485769304 897234411 /nfs/dbraw/zinc/23/44/11/897234411.db2.gz KIGZVZVHNHLLQA-UHFFFAOYSA-N 2 2 294.399 0.842 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001326783730 914167933 /nfs/dbraw/zinc/16/79/33/914167933.db2.gz KKFNIUBSTYBBGU-LBPRGKRZSA-N 2 2 266.345 0.410 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO ZINC001111496024 898184916 /nfs/dbraw/zinc/18/49/16/898184916.db2.gz KDVBSGXXSLKKRY-MCIONIFRSA-N 2 2 292.383 0.377 20 0 CCADLP 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GWNCVBXJEWYBQS-UHFFFAOYSA-N 2 2 294.399 0.578 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001410234796 899295417 /nfs/dbraw/zinc/29/54/17/899295417.db2.gz VQYLQUHSONRNGW-AVGNSLFASA-N 2 2 280.372 0.402 20 0 CCADLP CCn1nc(C)c(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)n1 ZINC001364868397 899399534 /nfs/dbraw/zinc/39/95/34/899399534.db2.gz LDNMECOSBSAHOR-GFCCVEGCSA-N 2 2 280.420 0.332 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CCOc1ccccc1 ZINC001134399498 899834047 /nfs/dbraw/zinc/83/40/47/899834047.db2.gz AUAVKXOKKOHXNO-UHFFFAOYSA-N 2 2 288.351 0.737 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001488683384 900341967 /nfs/dbraw/zinc/34/19/67/900341967.db2.gz FUEWQHSTMFHLTF-NWDGAFQWSA-N 2 2 294.399 0.601 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001488683384 900341976 /nfs/dbraw/zinc/34/19/76/900341976.db2.gz FUEWQHSTMFHLTF-NWDGAFQWSA-N 2 2 294.399 0.601 20 0 CCADLP CN(C[C@H]1CC[N@@H+]1CCCF)C(=O)Cc1c[nH+]cn1C ZINC001488683265 900343319 /nfs/dbraw/zinc/34/33/19/900343319.db2.gz BRTRESTUPODXFL-GFCCVEGCSA-N 2 2 282.363 0.855 20 0 CCADLP CN(C[C@H]1CC[N@H+]1CCCF)C(=O)Cc1c[nH+]cn1C ZINC001488683265 900343329 /nfs/dbraw/zinc/34/33/29/900343329.db2.gz BRTRESTUPODXFL-GFCCVEGCSA-N 2 2 282.363 0.855 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)C[N@H+](C)[C@H]2CCSC2)c1 ZINC001412209521 901560111 /nfs/dbraw/zinc/56/01/11/901560111.db2.gz CDRMXXQFIZCAOB-LBPRGKRZSA-N 2 2 282.413 0.516 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)C[N@@H+](C)[C@H]2CCSC2)c1 ZINC001412209521 901560118 /nfs/dbraw/zinc/56/01/18/901560118.db2.gz CDRMXXQFIZCAOB-LBPRGKRZSA-N 2 2 282.413 0.516 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001398309798 914617294 /nfs/dbraw/zinc/61/72/94/914617294.db2.gz BKTSZKFIENJQRW-OLZOCXBDSA-N 2 2 294.399 0.578 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001398309798 914617307 /nfs/dbraw/zinc/61/73/07/914617307.db2.gz BKTSZKFIENJQRW-OLZOCXBDSA-N 2 2 294.399 0.578 20 0 CCADLP CC(C)OCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001398331555 914628186 /nfs/dbraw/zinc/62/81/86/914628186.db2.gz LSPNGHYLAZMZOX-ZDUSSCGKSA-N 2 2 280.372 0.499 20 0 CCADLP CC(C)OCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001398331555 914628198 /nfs/dbraw/zinc/62/81/98/914628198.db2.gz LSPNGHYLAZMZOX-ZDUSSCGKSA-N 2 2 280.372 0.499 20 0 CCADLP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1CCC[NH+]1CCOCC1 ZINC001413015199 902482407 /nfs/dbraw/zinc/48/24/07/902482407.db2.gz UPFKXKZIHKZLLQ-CABCVRRESA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1CCC[NH+]1CCOCC1 ZINC001413015199 902482412 /nfs/dbraw/zinc/48/24/12/902482412.db2.gz UPFKXKZIHKZLLQ-CABCVRRESA-N 2 2 285.432 0.096 20 0 CCADLP C[N@H+](CCO)C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001398470545 914666754 /nfs/dbraw/zinc/66/67/54/914666754.db2.gz XUNMKAFGSVAKLN-ZDUSSCGKSA-N 2 2 280.372 0.046 20 0 CCADLP C[N@@H+](CCO)C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001398470545 914666772 /nfs/dbraw/zinc/66/67/72/914666772.db2.gz XUNMKAFGSVAKLN-ZDUSSCGKSA-N 2 2 280.372 0.046 20 0 CCADLP C[C@H](O)CCC[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001493240805 903123619 /nfs/dbraw/zinc/12/36/19/903123619.db2.gz OHAOREFFDINFTD-STQMWFEESA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](O)CCC[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001493240805 903123627 /nfs/dbraw/zinc/12/36/27/903123627.db2.gz OHAOREFFDINFTD-STQMWFEESA-N 2 2 294.399 0.551 20 0 CCADLP CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001491070221 903331984 /nfs/dbraw/zinc/33/19/84/903331984.db2.gz RRWYYMDLVLPEGC-SDDRHHMPSA-N 2 2 282.363 0.948 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H](C[NH2+]CCCO)C1 ZINC001491180064 903432391 /nfs/dbraw/zinc/43/23/91/903432391.db2.gz OREBUFTUODCNLO-CYBMUJFWSA-N 2 2 294.399 0.173 20 0 CCADLP C[C@H](O)C[NH2+][C@@H](C)CCNC(=O)CCn1cc[nH+]c1 ZINC001281740291 904337366 /nfs/dbraw/zinc/33/73/66/904337366.db2.gz RFZOEJPWEDUESE-RYUDHWBXSA-N 2 2 268.361 0.138 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001327863219 914817715 /nfs/dbraw/zinc/81/77/15/914817715.db2.gz FVTRPXQCPIAENC-WDEREUQCSA-N 2 2 250.346 0.417 20 0 CCADLP C[C@@H](CCC[NH2+]CCO)NC(=O)c1cccc2[nH+]ccn21 ZINC001283203507 904755447 /nfs/dbraw/zinc/75/54/47/904755447.db2.gz DHDKWUQDHRCJPR-LBPRGKRZSA-N 2 2 290.367 0.815 20 0 CCADLP CC[N@H+](C)CCOCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001283388886 904834447 /nfs/dbraw/zinc/83/44/47/904834447.db2.gz SUXVSANZRNHEBR-ZDUSSCGKSA-N 2 2 294.399 0.530 20 0 CCADLP CC[N@@H+](C)CCOCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001283388886 904834469 /nfs/dbraw/zinc/83/44/69/904834469.db2.gz SUXVSANZRNHEBR-ZDUSSCGKSA-N 2 2 294.399 0.530 20 0 CCADLP CO[C@H](C)C[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001283677750 904957861 /nfs/dbraw/zinc/95/78/61/904957861.db2.gz CYIBDNRFQTTWKU-GHMZBOCLSA-N 2 2 268.361 0.424 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCCO)CN1C(=O)CCc1[nH+]ccn1C ZINC001283997963 905110441 /nfs/dbraw/zinc/11/04/41/905110441.db2.gz FKFMDMHSJILWKN-CHWSQXEVSA-N 2 2 294.399 0.314 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@H]1CC[C@@H](C[NH2+]CCO)C1 ZINC001284196949 905183174 /nfs/dbraw/zinc/18/31/74/905183174.db2.gz ONSOQLLCPFRWDQ-OLZOCXBDSA-N 2 2 280.372 0.140 20 0 CCADLP C[C@H](O)C[NH+]1CC(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001377898925 905229647 /nfs/dbraw/zinc/22/96/47/905229647.db2.gz JBSDVTFCUDFHGX-ZDUSSCGKSA-N 2 2 297.443 0.680 20 0 CCADLP C[C@H]1CCN(C(=O)NCc2c[nH+]cn2C)C[C@@H]1C[NH3+] ZINC001334229819 906168080 /nfs/dbraw/zinc/16/80/80/906168080.db2.gz RKXOFLFMJVDYCV-QWRGUYRKSA-N 2 2 265.361 0.546 20 0 CCADLP CCc1noc(C[NH2+]C[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C)n1 ZINC001379449599 906245693 /nfs/dbraw/zinc/24/56/93/906245693.db2.gz IVFYMIZFGVMRNJ-MNOVXSKESA-N 2 2 297.403 0.567 20 0 CCADLP C[C@@H](C[NH2+]Cc1ccnn1C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001379512011 906315159 /nfs/dbraw/zinc/31/51/59/906315159.db2.gz RMJKDXIIBBGFAO-NSHDSACASA-N 2 2 290.371 0.370 20 0 CCADLP C[C@@H](C[NH2+]Cc1ccnn1C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001379512011 906315176 /nfs/dbraw/zinc/31/51/76/906315176.db2.gz RMJKDXIIBBGFAO-NSHDSACASA-N 2 2 290.371 0.370 20 0 CCADLP CCc1noc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001379599331 906369200 /nfs/dbraw/zinc/36/92/00/906369200.db2.gz LTNQDCQONNVQLC-QWRGUYRKSA-N 2 2 295.387 0.178 20 0 CCADLP CCc1noc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001379599331 906369216 /nfs/dbraw/zinc/36/92/16/906369216.db2.gz LTNQDCQONNVQLC-QWRGUYRKSA-N 2 2 295.387 0.178 20 0 CCADLP CC(C)[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001379797900 906483914 /nfs/dbraw/zinc/48/39/14/906483914.db2.gz CFMXZEJIHAWRAQ-STQMWFEESA-N 2 2 294.399 0.263 20 0 CCADLP CC[N@@H+]1CC[C@H]1C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC001293933680 906533113 /nfs/dbraw/zinc/53/31/13/906533113.db2.gz WFOCKUVPAHWMDQ-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP CC[N@H+]1CC[C@H]1C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC001293933680 906533127 /nfs/dbraw/zinc/53/31/27/906533127.db2.gz WFOCKUVPAHWMDQ-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP CC(=O)NCC[NH+]1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC001380709237 906904713 /nfs/dbraw/zinc/90/47/13/906904713.db2.gz JJBNGRXGXCOCBS-CQSZACIVSA-N 2 2 283.416 0.603 20 0 CCADLP C[C@@H](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CCF ZINC001381204471 907117654 /nfs/dbraw/zinc/11/76/54/907117654.db2.gz HQAVVPZTWVYYPG-RYUDHWBXSA-N 2 2 282.363 0.899 20 0 CCADLP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]CC1CCOCC1 ZINC001381240526 907127188 /nfs/dbraw/zinc/12/71/88/907127188.db2.gz UBBBYKFBJVLXJR-ZDUSSCGKSA-N 2 2 294.399 0.794 20 0 CCADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)[NH2+]Cc1ccnn1C ZINC001381447738 907209079 /nfs/dbraw/zinc/20/90/79/907209079.db2.gz NBJRFLCOLVCIBQ-VXGBXAGGSA-N 2 2 290.371 0.300 20 0 CCADLP C[C@H](F)CC[NH2+][C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001491625442 907461587 /nfs/dbraw/zinc/46/15/87/907461587.db2.gz SOUWPCQIGCZZHR-UWVGGRQHSA-N 2 2 256.325 0.795 20 0 CCADLP COC[C@H](C)[N@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001491966687 907653078 /nfs/dbraw/zinc/65/30/78/907653078.db2.gz HIKYUTOSKXZJKW-KBPBESRZSA-N 2 2 294.399 0.841 20 0 CCADLP COC[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001491966687 907653090 /nfs/dbraw/zinc/65/30/90/907653090.db2.gz HIKYUTOSKXZJKW-KBPBESRZSA-N 2 2 294.399 0.841 20 0 CCADLP C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001336657979 907954370 /nfs/dbraw/zinc/95/43/70/907954370.db2.gz GXWWFETWNYCOIB-WDEREUQCSA-N 2 2 250.346 0.656 20 0 CCADLP C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001336657979 907954383 /nfs/dbraw/zinc/95/43/83/907954383.db2.gz GXWWFETWNYCOIB-WDEREUQCSA-N 2 2 250.346 0.656 20 0 CCADLP CCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1OCC ZINC001316692618 908082549 /nfs/dbraw/zinc/08/25/49/908082549.db2.gz VLDUPJBZWXLTCW-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001337479227 908155514 /nfs/dbraw/zinc/15/55/14/908155514.db2.gz ISWYIRXGUDJUGY-NSHDSACASA-N 2 2 250.346 0.943 20 0 CCADLP C[N@H+]1CCCC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001337479227 908155521 /nfs/dbraw/zinc/15/55/21/908155521.db2.gz ISWYIRXGUDJUGY-NSHDSACASA-N 2 2 250.346 0.943 20 0 CCADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1nccs1 ZINC001308248577 908402679 /nfs/dbraw/zinc/40/26/79/908402679.db2.gz HIJRNEWCZASMLE-NSHDSACASA-N 2 2 254.403 0.869 20 0 CCADLP Cc1nn(C)cc1C[NH2+]CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001317634597 909431209 /nfs/dbraw/zinc/43/12/09/909431209.db2.gz RGSMIJDYKQUNKO-UHFFFAOYSA-N 2 2 290.371 0.242 20 0 CCADLP Cc1nonc1C[NH2+]CCN(C)C(=O)C[NH+]1CCCC1 ZINC001317662562 909455976 /nfs/dbraw/zinc/45/59/76/909455976.db2.gz YLECMWRGGDOEEN-UHFFFAOYSA-N 2 2 281.360 0.022 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001417661953 921502033 /nfs/dbraw/zinc/50/20/33/921502033.db2.gz USNCLJFTLZDUBY-UHFFFAOYSA-N 2 2 292.383 0.584 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1C[N@H+](C)CCO ZINC001388831428 909605402 /nfs/dbraw/zinc/60/54/02/909605402.db2.gz DNIOMYHFGXBKPX-ZDUSSCGKSA-N 2 2 294.399 0.566 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1C[N@@H+](C)CCO ZINC001388831428 909605408 /nfs/dbraw/zinc/60/54/08/909605408.db2.gz DNIOMYHFGXBKPX-ZDUSSCGKSA-N 2 2 294.399 0.566 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CCO ZINC001389322202 909823551 /nfs/dbraw/zinc/82/35/51/909823551.db2.gz KIWYZMOGAVOZSF-JSGCOSHPSA-N 2 2 294.399 0.612 20 0 CCADLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CCCF ZINC001318580660 909824919 /nfs/dbraw/zinc/82/49/19/909824919.db2.gz FGMPQTMKQZHQCC-SNVBAGLBSA-N 2 2 256.325 0.796 20 0 CCADLP C[N@H+](CC(=O)N[C@@H]1CC[NH+](CCO)C1)Cc1ccccc1 ZINC001389531201 909957473 /nfs/dbraw/zinc/95/74/73/909957473.db2.gz ZUXCSHJNFOTAKT-OAHLLOKOSA-N 2 2 291.395 0.301 20 0 CCADLP C[N@@H+](CC(=O)N[C@@H]1CC[NH+](CCO)C1)Cc1ccccc1 ZINC001389531201 909957488 /nfs/dbraw/zinc/95/74/88/909957488.db2.gz ZUXCSHJNFOTAKT-OAHLLOKOSA-N 2 2 291.395 0.301 20 0 CCADLP C[NH+](CC(=O)N[C@@H]1CC[N@H+](CCO)C1)Cc1ccccc1 ZINC001389531201 909957497 /nfs/dbraw/zinc/95/74/97/909957497.db2.gz ZUXCSHJNFOTAKT-OAHLLOKOSA-N 2 2 291.395 0.301 20 0 CCADLP C[NH+](CC(=O)N[C@@H]1CC[N@@H+](CCO)C1)Cc1ccccc1 ZINC001389531201 909957504 /nfs/dbraw/zinc/95/75/04/909957504.db2.gz ZUXCSHJNFOTAKT-OAHLLOKOSA-N 2 2 291.395 0.301 20 0 CCADLP C[C@@H](O)CCC[NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001319551982 910199081 /nfs/dbraw/zinc/19/90/81/910199081.db2.gz PBOVKTPPTSNJAY-VXGBXAGGSA-N 2 2 282.388 0.550 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001390046977 910205551 /nfs/dbraw/zinc/20/55/51/910205551.db2.gz VEOQRKDOHYLROD-ZDUSSCGKSA-N 2 2 294.399 0.553 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CCC[N@H+](CCCO)C1 ZINC001390046977 910205568 /nfs/dbraw/zinc/20/55/68/910205568.db2.gz VEOQRKDOHYLROD-ZDUSSCGKSA-N 2 2 294.399 0.553 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001390046977 910205582 /nfs/dbraw/zinc/20/55/82/910205582.db2.gz VEOQRKDOHYLROD-ZDUSSCGKSA-N 2 2 294.399 0.553 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CCC[N@H+](CCCO)C1 ZINC001390046977 910205596 /nfs/dbraw/zinc/20/55/96/910205596.db2.gz VEOQRKDOHYLROD-ZDUSSCGKSA-N 2 2 294.399 0.553 20 0 CCADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1[NH2+]CCCO ZINC001319707640 910263233 /nfs/dbraw/zinc/26/32/33/910263233.db2.gz GAWGHZXBNMXXCU-NWDGAFQWSA-N 2 2 280.372 0.161 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]CCCO)[C@H](C)C1 ZINC001319715826 910269073 /nfs/dbraw/zinc/26/90/73/910269073.db2.gz RYJKQMMTURNOBR-YPMHNXCESA-N 2 2 294.399 0.470 20 0 CCADLP CC[NH2+][C@@H](C)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001390455925 910432396 /nfs/dbraw/zinc/43/23/96/910432396.db2.gz WFTWKZXLCOPGBI-JSGCOSHPSA-N 2 2 283.416 0.744 20 0 CCADLP CC[NH2+][C@@H](C)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001390455925 910432408 /nfs/dbraw/zinc/43/24/08/910432408.db2.gz WFTWKZXLCOPGBI-JSGCOSHPSA-N 2 2 283.416 0.744 20 0 CCADLP O=C(NC[C@@H](O)C[NH2+]CCCF)c1cccc2[nH+]ccn21 ZINC001320247914 910555891 /nfs/dbraw/zinc/55/58/91/910555891.db2.gz UMUQGGDKRDLUJJ-NSHDSACASA-N 2 2 294.330 0.374 20 0 CCADLP OCCCC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC001320914379 910933736 /nfs/dbraw/zinc/93/37/36/910933736.db2.gz FQFPCDAAZRCHNI-UHFFFAOYSA-N 2 2 285.432 0.145 20 0 CCADLP OCCCC[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC001320914379 910933756 /nfs/dbraw/zinc/93/37/56/910933756.db2.gz FQFPCDAAZRCHNI-UHFFFAOYSA-N 2 2 285.432 0.145 20 0 CCADLP CCN(CC[NH2+]C[C@H](C)O)C(=O)CCc1c[nH+]cn1C ZINC001320913560 910934098 /nfs/dbraw/zinc/93/40/98/910934098.db2.gz QUYXYRBLOOSQCO-LBPRGKRZSA-N 2 2 282.388 0.172 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC(=O)NCC)C1 ZINC001391403319 911086529 /nfs/dbraw/zinc/08/65/29/911086529.db2.gz UIYWNFGQSGQGNH-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](CC(=O)NCC)C1 ZINC001391403319 911086541 /nfs/dbraw/zinc/08/65/41/911086541.db2.gz UIYWNFGQSGQGNH-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](CC(=O)NCC)C1 ZINC001391403319 911086559 /nfs/dbraw/zinc/08/65/59/911086559.db2.gz UIYWNFGQSGQGNH-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC)C1 ZINC001391403319 911086592 /nfs/dbraw/zinc/08/65/92/911086592.db2.gz UIYWNFGQSGQGNH-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CC(C)CCC[NH+]1CC(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001391455657 911144550 /nfs/dbraw/zinc/14/45/50/911144550.db2.gz XHOZMKPDHRCEIQ-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP C[C@@H](O)CCC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001391630857 911275240 /nfs/dbraw/zinc/27/52/40/911275240.db2.gz FLAWLWAMPOKRTC-ZIAGYGMSSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@@H](O)CCC[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001391630857 911275250 /nfs/dbraw/zinc/27/52/50/911275250.db2.gz FLAWLWAMPOKRTC-ZIAGYGMSSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@@H](CC(=O)N[C@H]1CC[C@H]([NH2+]CCO)CC1)n1cc[nH+]c1 ZINC001391832768 911417072 /nfs/dbraw/zinc/41/70/72/911417072.db2.gz LJVIUKKDKSWCOF-IHRRRGAJSA-N 2 2 294.399 0.844 20 0 CCADLP Cc1nnc(C[NH2+]C[C@@H](C)CNC(=O)Cn2cc[nH+]c2)o1 ZINC001391966191 911489615 /nfs/dbraw/zinc/48/96/15/911489615.db2.gz MSLSOVHIRQFNSE-SNVBAGLBSA-N 2 2 292.343 0.117 20 0 CCADLP C[C@H](CC(=O)NCC1([NH2+]CCO)CCCC1)n1cc[nH+]c1 ZINC001392023164 911523940 /nfs/dbraw/zinc/52/39/40/911523940.db2.gz VRSMVSSZSXYCLZ-CYBMUJFWSA-N 2 2 294.399 0.845 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N(C)[C@H](C)C[NH2+]C[C@H](C)O ZINC001392072742 911561382 /nfs/dbraw/zinc/56/13/82/911561382.db2.gz GEYNHXWFUAOAJD-NEPJUHHUSA-N 2 2 295.383 0.450 20 0 CCADLP CN(CC[N@H+](C)CC[C@@H]1CCCO1)C(=O)Cn1cc[nH+]c1 ZINC001392334374 911734633 /nfs/dbraw/zinc/73/46/33/911734633.db2.gz NJGRIJMFMMVGMD-AWEZNQCLSA-N 2 2 294.399 0.842 20 0 CCADLP CN(CC[N@@H+](C)CC[C@@H]1CCCO1)C(=O)Cn1cc[nH+]c1 ZINC001392334374 911734638 /nfs/dbraw/zinc/73/46/38/911734638.db2.gz NJGRIJMFMMVGMD-AWEZNQCLSA-N 2 2 294.399 0.842 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]C[C@@H](C)NC(=O)CCC[NH+](C)C)o1 ZINC001392509025 911875972 /nfs/dbraw/zinc/87/59/72/911875972.db2.gz YZFWWSJJMSDZKN-MNOVXSKESA-N 2 2 297.403 0.875 20 0 CCADLP Cc1nonc1C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001392548899 911921706 /nfs/dbraw/zinc/92/17/06/911921706.db2.gz GSPVSGKSQLZFKK-JOYOIKCWSA-N 2 2 281.360 0.067 20 0 CCADLP Cc1nonc1C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001392548899 911921723 /nfs/dbraw/zinc/92/17/23/911921723.db2.gz GSPVSGKSQLZFKK-JOYOIKCWSA-N 2 2 281.360 0.067 20 0 CCADLP Cc1nnc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001392549376 911921922 /nfs/dbraw/zinc/92/19/22/911921922.db2.gz KSACYHGCMOHJFU-ONGXEEELSA-N 2 2 281.360 0.067 20 0 CCADLP Cc1nnc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001392549376 911921930 /nfs/dbraw/zinc/92/19/30/911921930.db2.gz KSACYHGCMOHJFU-ONGXEEELSA-N 2 2 281.360 0.067 20 0 CCADLP C[C@@H](C[NH2+]C[C@H]1CCCOC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001392592318 911967010 /nfs/dbraw/zinc/96/70/10/911967010.db2.gz JHNOEOOMKMYQNJ-NWDGAFQWSA-N 2 2 280.372 0.473 20 0 CCADLP Cc1nonc1C[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001392612137 911988619 /nfs/dbraw/zinc/98/86/19/911988619.db2.gz FTOQVCPPDNRMSS-VIFPVBQESA-N 2 2 292.343 0.177 20 0 CCADLP C[C@@H](C[N@H+](C)CCCO)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001392667637 912060501 /nfs/dbraw/zinc/06/05/01/912060501.db2.gz BENWBYJUXRWVGO-QWHCGFSZSA-N 2 2 294.399 0.264 20 0 CCADLP C[C@@H](C[N@@H+](C)CCCO)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001392667637 912060513 /nfs/dbraw/zinc/06/05/13/912060513.db2.gz BENWBYJUXRWVGO-QWHCGFSZSA-N 2 2 294.399 0.264 20 0 CCADLP C[C@H](C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)n1cc[nH+]c1 ZINC001328025575 914931964 /nfs/dbraw/zinc/93/19/64/914931964.db2.gz PLFKQXSEQFFIBI-FRRDWIJNSA-N 2 2 262.357 0.997 20 0 CCADLP C[C@H](C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)n1cc[nH+]c1 ZINC001328025575 914931981 /nfs/dbraw/zinc/93/19/81/914931981.db2.gz PLFKQXSEQFFIBI-FRRDWIJNSA-N 2 2 262.357 0.997 20 0 CCADLP [NH3+]Cc1nccnc1NCCC[NH+]1CCOCC1 ZINC001339495474 921738471 /nfs/dbraw/zinc/73/84/71/921738471.db2.gz JDUVOHHSOOHQEB-UHFFFAOYSA-N 2 2 251.334 0.070 20 0 CCADLP CC[C@H](C(=O)NCC[N@@H+](C)Cc1ocnc1C)[NH+](C)C ZINC001399498967 915202734 /nfs/dbraw/zinc/20/27/34/915202734.db2.gz HFSPDCBOSOQTOW-GFCCVEGCSA-N 2 2 282.388 0.871 20 0 CCADLP CC1(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[NH2+]CC1 ZINC001328721327 915378514 /nfs/dbraw/zinc/37/85/14/915378514.db2.gz JRHKPKHRMCFXMJ-LLVKDONJSA-N 2 2 262.357 0.704 20 0 CCADLP CC(C)CCC[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001400340365 915686033 /nfs/dbraw/zinc/68/60/33/915686033.db2.gz NBVGPOOCKPGHQR-CQSZACIVSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)CCC[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001400340365 915686042 /nfs/dbraw/zinc/68/60/42/915686042.db2.gz NBVGPOOCKPGHQR-CQSZACIVSA-N 2 2 283.416 0.554 20 0 CCADLP [NH3+]CCOCC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001329270578 915784678 /nfs/dbraw/zinc/78/46/78/915784678.db2.gz YBZJJLIVGJVPOL-UHFFFAOYSA-N 2 2 252.318 0.091 20 0 CCADLP CC[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]C[C@H](C)OC ZINC001400919858 915986557 /nfs/dbraw/zinc/98/65/57/915986557.db2.gz XWLDLTFJHBUQJN-NWDGAFQWSA-N 2 2 282.388 0.482 20 0 CCADLP C[C@H](CC(=O)NC[C@@H](C)[N@H+](C)CCO)n1cc[nH+]c1 ZINC001329562066 916011958 /nfs/dbraw/zinc/01/19/58/916011958.db2.gz WUXAGUXGJTWZMB-VXGBXAGGSA-N 2 2 268.361 0.263 20 0 CCADLP C[C@H](CC(=O)NC[C@@H](C)[N@@H+](C)CCO)n1cc[nH+]c1 ZINC001329562066 916011976 /nfs/dbraw/zinc/01/19/76/916011976.db2.gz WUXAGUXGJTWZMB-VXGBXAGGSA-N 2 2 268.361 0.263 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H](C)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001401229211 916134113 /nfs/dbraw/zinc/13/41/13/916134113.db2.gz SCMNACPJTXTTFZ-QWRGUYRKSA-N 2 2 290.367 0.994 20 0 CCADLP Cc1nnc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001401264678 916155340 /nfs/dbraw/zinc/15/53/40/916155340.db2.gz YUALWBSZUCRQDC-ZYHUDNBSSA-N 2 2 295.387 0.266 20 0 CCADLP Cc1nnc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001401264678 916155341 /nfs/dbraw/zinc/15/53/41/916155341.db2.gz YUALWBSZUCRQDC-ZYHUDNBSSA-N 2 2 295.387 0.266 20 0 CCADLP CC(C)C[C@H](C(=O)NC[C@H](O)C[NH2+]C(C)C)n1cc[nH+]c1 ZINC001401535304 916307102 /nfs/dbraw/zinc/30/71/02/916307102.db2.gz DYUSQQRQOSTSHM-ZIAGYGMSSA-N 2 2 296.415 0.945 20 0 CCADLP Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001401620397 916399622 /nfs/dbraw/zinc/39/96/22/916399622.db2.gz KSACYHGCMOHJFU-MWLCHTKSSA-N 2 2 281.360 0.067 20 0 CCADLP Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001401620397 916399643 /nfs/dbraw/zinc/39/96/43/916399643.db2.gz KSACYHGCMOHJFU-MWLCHTKSSA-N 2 2 281.360 0.067 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)c1nnc(C)o1 ZINC001401660778 916437049 /nfs/dbraw/zinc/43/70/49/916437049.db2.gz YNRXWVCNDHFGBL-MNOVXSKESA-N 2 2 297.403 0.875 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)c1nnc(C)o1 ZINC001401660778 916437064 /nfs/dbraw/zinc/43/70/64/916437064.db2.gz YNRXWVCNDHFGBL-MNOVXSKESA-N 2 2 297.403 0.875 20 0 CCADLP C[C@@H](O)CCC[N@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001401812520 916608361 /nfs/dbraw/zinc/60/83/61/916608361.db2.gz BOEMMVHMEXCONI-QWHCGFSZSA-N 2 2 282.388 0.481 20 0 CCADLP C[C@@H](O)CCC[N@@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001401812520 916608372 /nfs/dbraw/zinc/60/83/72/916608372.db2.gz BOEMMVHMEXCONI-QWHCGFSZSA-N 2 2 282.388 0.481 20 0 CCADLP C[C@@H]([NH2+]CCO)[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001402044999 916770753 /nfs/dbraw/zinc/77/07/53/916770753.db2.gz OLDRTVDENDYMGD-TZMCWYRMSA-N 2 2 294.399 0.314 20 0 CCADLP Cc1nnsc1C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001402185575 916857200 /nfs/dbraw/zinc/85/72/00/916857200.db2.gz KNHVLCFFMYMZQT-NSHDSACASA-N 2 2 297.428 0.489 20 0 CCADLP Cc1nnsc1C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001402185575 916857209 /nfs/dbraw/zinc/85/72/09/916857209.db2.gz KNHVLCFFMYMZQT-NSHDSACASA-N 2 2 297.428 0.489 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)NCC1(O)C[NH+](C(C)C)C1 ZINC001402351901 916973169 /nfs/dbraw/zinc/97/31/69/916973169.db2.gz IXXCSRCIDHHWNN-UHFFFAOYSA-N 2 2 294.399 0.543 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001402529081 917081346 /nfs/dbraw/zinc/08/13/46/917081346.db2.gz LSNUMQRLAZLMHZ-QWHCGFSZSA-N 2 2 294.399 0.314 20 0 CCADLP COCC1(O)CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC001331109180 917092417 /nfs/dbraw/zinc/09/24/17/917092417.db2.gz IXBGEYJWSSASES-UHFFFAOYSA-N 2 2 253.346 0.436 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001402646573 917155709 /nfs/dbraw/zinc/15/57/09/917155709.db2.gz VGOFUXIMWBOJRJ-PHIMTYICSA-N 2 2 297.428 0.615 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001402646573 917155715 /nfs/dbraw/zinc/15/57/15/917155715.db2.gz VGOFUXIMWBOJRJ-PHIMTYICSA-N 2 2 297.428 0.615 20 0 CCADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1c[nH+]cn1C ZINC001331423066 917320617 /nfs/dbraw/zinc/32/06/17/917320617.db2.gz VWDMLHOHUMXKOT-GFCCVEGCSA-N 2 2 267.377 0.935 20 0 CCADLP Cc1noc(C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C)n1 ZINC001402909744 917339551 /nfs/dbraw/zinc/33/95/51/917339551.db2.gz SJBWIHWFFSWCLA-GWCFXTLKSA-N 2 2 297.403 0.559 20 0 CCADLP C[C@@H](O)C[NH2+]CC1CC(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001402941998 917367788 /nfs/dbraw/zinc/36/77/88/917367788.db2.gz AZRNNDYNNWSGNR-PNESKVBLSA-N 2 2 294.399 0.218 20 0 CCADLP C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]Cc1csnn1 ZINC001403065099 917453784 /nfs/dbraw/zinc/45/37/84/917453784.db2.gz WOXRLYJEWOJOEE-WDEREUQCSA-N 2 2 299.444 0.863 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1nonc1C)[NH+](C)C ZINC001403088592 917465183 /nfs/dbraw/zinc/46/51/83/917465183.db2.gz SRBKLNBVPWMWJQ-SKDRFNHKSA-N 2 2 283.376 0.313 20 0 CCADLP Cc1noc(C[NH2+][C@@H](C)CNC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001403087418 917465332 /nfs/dbraw/zinc/46/53/32/917465332.db2.gz SOSYXFPHIMQXCY-JQWIXIFHSA-N 2 2 295.387 0.314 20 0 CCADLP Cc1noc(C[NH2+][C@@H](C)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001403087418 917465340 /nfs/dbraw/zinc/46/53/40/917465340.db2.gz SOSYXFPHIMQXCY-JQWIXIFHSA-N 2 2 295.387 0.314 20 0 CCADLP CC(C)C[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CCO)n1cc[nH+]c1 ZINC001403136582 917522575 /nfs/dbraw/zinc/52/25/75/917522575.db2.gz WTVONGXNEKXJJO-KGLIPLIRSA-N 2 2 296.415 0.899 20 0 CCADLP CC(C)C[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CCO)n1cc[nH+]c1 ZINC001403136582 917522601 /nfs/dbraw/zinc/52/26/01/917522601.db2.gz WTVONGXNEKXJJO-KGLIPLIRSA-N 2 2 296.415 0.899 20 0 CCADLP COC1CC[NH+](Cc2cn(C[C@H](C)[NH3+])nn2)CC1 ZINC001331856946 917664129 /nfs/dbraw/zinc/66/41/29/917664129.db2.gz ISUCIKZHSSZJLT-JTQLQIEISA-N 2 2 253.350 0.236 20 0 CCADLP CC[C@H](F)C[N@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001403536849 917788337 /nfs/dbraw/zinc/78/83/37/917788337.db2.gz SNTFXMSKXYHPAT-RYUDHWBXSA-N 2 2 275.368 0.113 20 0 CCADLP CC[C@H](F)C[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001403536849 917788353 /nfs/dbraw/zinc/78/83/53/917788353.db2.gz SNTFXMSKXYHPAT-RYUDHWBXSA-N 2 2 275.368 0.113 20 0 CCADLP CC[C@H](F)C[NH+](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001403536849 917788366 /nfs/dbraw/zinc/78/83/66/917788366.db2.gz SNTFXMSKXYHPAT-RYUDHWBXSA-N 2 2 275.368 0.113 20 0 CCADLP CC[C@H](F)C[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001403536849 917788379 /nfs/dbraw/zinc/78/83/79/917788379.db2.gz SNTFXMSKXYHPAT-RYUDHWBXSA-N 2 2 275.368 0.113 20 0 CCADLP Cc1c(C(=O)N[C@H](CO)c2c[nH+]cn2C)ccc2c[nH+]cn21 ZINC001332211003 917961364 /nfs/dbraw/zinc/96/13/64/917961364.db2.gz RGRLHXHTODYKBQ-CYBMUJFWSA-N 2 2 299.334 0.840 20 0 CCADLP CC[C@H](C)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001403876982 918081091 /nfs/dbraw/zinc/08/10/91/918081091.db2.gz GMQSCFKPRRPEQC-GXTWGEPZSA-N 2 2 296.415 0.418 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC001332514628 918238903 /nfs/dbraw/zinc/23/89/03/918238903.db2.gz AIOQPXFIOISCNB-FRRDWIJNSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC001332514628 918238914 /nfs/dbraw/zinc/23/89/14/918238914.db2.gz AIOQPXFIOISCNB-FRRDWIJNSA-N 2 2 269.389 0.341 20 0 CCADLP Cn1cncc1C[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001404935110 918522196 /nfs/dbraw/zinc/52/21/96/918522196.db2.gz OAZMHIIXEBUUIJ-UHFFFAOYSA-N 2 2 291.399 0.064 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)CCc2[nH+]ccn2C)C1 ZINC001405115742 918609902 /nfs/dbraw/zinc/60/99/02/918609902.db2.gz GFSDZRMFWKGNNF-STQMWFEESA-N 2 2 294.399 0.266 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)CCc2[nH+]ccn2C)C1 ZINC001405115742 918609910 /nfs/dbraw/zinc/60/99/10/918609910.db2.gz GFSDZRMFWKGNNF-STQMWFEESA-N 2 2 294.399 0.266 20 0 CCADLP Cc1nocc1C[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001405868516 918951478 /nfs/dbraw/zinc/95/14/78/918951478.db2.gz GYVUDEIPKRAWAR-SNVBAGLBSA-N 2 2 291.355 0.885 20 0 CCADLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2nnc[nH]2)CC1 ZINC001333606465 919037044 /nfs/dbraw/zinc/03/70/44/919037044.db2.gz QDECPXQSDKNLIJ-UHFFFAOYSA-N 2 2 266.393 0.310 20 0 CCADLP CCc1cnc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001406388923 919231069 /nfs/dbraw/zinc/23/10/69/919231069.db2.gz WUEGFQAFMLQSAR-DGCLKSJQSA-N 2 2 294.399 0.926 20 0 CCADLP CCc1cnc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001406388923 919231080 /nfs/dbraw/zinc/23/10/80/919231080.db2.gz WUEGFQAFMLQSAR-DGCLKSJQSA-N 2 2 294.399 0.926 20 0 CCADLP C[C@@H]([NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1)c1csnn1 ZINC001406565214 919349100 /nfs/dbraw/zinc/34/91/00/919349100.db2.gz VBHILNLKMTUYMJ-WDEREUQCSA-N 2 2 297.428 0.789 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@@H+]1Cc1cccnc1 ZINC001406839543 919486138 /nfs/dbraw/zinc/48/61/38/919486138.db2.gz ADOUSAJMKJJMMA-HNNXBMFYSA-N 2 2 299.378 0.977 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@H+]1Cc1cccnc1 ZINC001406839543 919486148 /nfs/dbraw/zinc/48/61/48/919486148.db2.gz ADOUSAJMKJJMMA-HNNXBMFYSA-N 2 2 299.378 0.977 20 0 CCADLP C[C@@H](O)C[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001406939908 919548073 /nfs/dbraw/zinc/54/80/73/919548073.db2.gz SWTBYRQUAPCFSN-SNVBAGLBSA-N 2 2 288.351 0.796 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NCC2([NH2+]Cc3cnon3)CC2)C1 ZINC001406963167 919560804 /nfs/dbraw/zinc/56/08/04/919560804.db2.gz SRLLEIDECGHXCW-NSHDSACASA-N 2 2 293.371 0.150 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)NCC2([NH2+]Cc3cnon3)CC2)C1 ZINC001406963167 919560812 /nfs/dbraw/zinc/56/08/12/919560812.db2.gz SRLLEIDECGHXCW-NSHDSACASA-N 2 2 293.371 0.150 20 0 CCADLP CC[C@@H](C[NH2+]C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1)OC ZINC001407098347 919614251 /nfs/dbraw/zinc/61/42/51/919614251.db2.gz HXNSRGXUARRHDS-OLZOCXBDSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001407182182 919655072 /nfs/dbraw/zinc/65/50/72/919655072.db2.gz VAFWSEBKRWJRNY-UKRRQHHQSA-N 2 2 294.399 0.889 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001407182182 919655077 /nfs/dbraw/zinc/65/50/77/919655077.db2.gz VAFWSEBKRWJRNY-UKRRQHHQSA-N 2 2 294.399 0.889 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@]1(O)CC[N@H+](CC2CCC2)C1 ZINC001407343576 919709885 /nfs/dbraw/zinc/70/98/85/919709885.db2.gz AMLHRNIGQDJAFA-OAHLLOKOSA-N 2 2 292.383 0.305 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@]1(O)CC[N@@H+](CC2CCC2)C1 ZINC001407343576 919709891 /nfs/dbraw/zinc/70/98/91/919709891.db2.gz AMLHRNIGQDJAFA-OAHLLOKOSA-N 2 2 292.383 0.305 20 0 CCADLP C[C@@H](O)C[N@H+](C)CCCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001407921101 919956788 /nfs/dbraw/zinc/95/67/88/919956788.db2.gz PHVLISCKOQIFRI-ZIAGYGMSSA-N 2 2 296.415 0.995 20 0 CCADLP C[C@@H](O)C[N@@H+](C)CCCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001407921101 919956795 /nfs/dbraw/zinc/95/67/95/919956795.db2.gz PHVLISCKOQIFRI-ZIAGYGMSSA-N 2 2 296.415 0.995 20 0 CCADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1CCO[C@@]13CCOC3)CC2 ZINC001335255523 920068373 /nfs/dbraw/zinc/06/83/73/920068373.db2.gz MPDPKDRWXHOBHW-YRGRVCCFSA-N 2 2 263.341 0.736 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC001335443184 920197076 /nfs/dbraw/zinc/19/70/76/920197076.db2.gz CYZDZVXMQACBET-HZSPNIEDSA-N 2 2 274.405 0.330 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC001335443184 920197084 /nfs/dbraw/zinc/19/70/84/920197084.db2.gz CYZDZVXMQACBET-HZSPNIEDSA-N 2 2 274.405 0.330 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC001335842656 920475550 /nfs/dbraw/zinc/47/55/50/920475550.db2.gz MEIYXUPVCZMGQT-FOGDFJRCSA-N 2 2 250.346 0.784 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC001335842656 920475557 /nfs/dbraw/zinc/47/55/57/920475557.db2.gz MEIYXUPVCZMGQT-FOGDFJRCSA-N 2 2 250.346 0.784 20 0 CCADLP Cc1cc(N)nc(N2CC[NH+](CCCCO)CC2)[nH+]1 ZINC001336707663 920938207 /nfs/dbraw/zinc/93/82/07/920938207.db2.gz RVPNWJXOYKZSMO-UHFFFAOYSA-N 2 2 265.361 0.262 20 0 CCADLP CSCCONC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336892411 921085769 /nfs/dbraw/zinc/08/57/69/921085769.db2.gz XVXHDTIVPQDHNS-UHFFFAOYSA-N 2 2 276.406 0.003 20 0 CCADLP CCc1nnc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001418209985 921915696 /nfs/dbraw/zinc/91/56/96/921915696.db2.gz GJAOSWVGNNDRPK-QWRGUYRKSA-N 2 2 295.387 0.321 20 0 CCADLP CCc1nnc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001418209985 921915704 /nfs/dbraw/zinc/91/57/04/921915704.db2.gz GJAOSWVGNNDRPK-QWRGUYRKSA-N 2 2 295.387 0.321 20 0 CCADLP O=C(NCCCNc1cccc[nH+]1)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001340042018 921928567 /nfs/dbraw/zinc/92/85/67/921928567.db2.gz SEIOJQJWBCXDDU-MBNYWOFBSA-N 2 2 274.368 0.855 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC001340119686 921966993 /nfs/dbraw/zinc/96/69/93/921966993.db2.gz SYGUUPGUOXTWNQ-LBPRGKRZSA-N 2 2 262.357 0.943 20 0 CCADLP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001418330717 922033847 /nfs/dbraw/zinc/03/38/47/922033847.db2.gz VLIVMTNYBCHDMW-JTQLQIEISA-N 2 2 283.401 0.180 20 0 CCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)CCCC[NH2+]C)CC1 ZINC001340320742 922054063 /nfs/dbraw/zinc/05/40/63/922054063.db2.gz TXZBYABPWJWBGH-UHFFFAOYSA-N 2 2 298.431 0.047 20 0 CCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)CCCC[NH2+]C)CC1 ZINC001340320742 922054078 /nfs/dbraw/zinc/05/40/78/922054078.db2.gz TXZBYABPWJWBGH-UHFFFAOYSA-N 2 2 298.431 0.047 20 0 CCADLP CC[C@H](C(=O)N(C)CC[NH3+])[N@@H+]1CCO[C@H](CC)C1 ZINC001340473073 922094627 /nfs/dbraw/zinc/09/46/27/922094627.db2.gz WGCSKSKUZMTURB-VXGBXAGGSA-N 2 2 257.378 0.293 20 0 CCADLP CC[C@H](C(=O)N(C)CC[NH3+])[N@H+]1CCO[C@H](CC)C1 ZINC001340473073 922094641 /nfs/dbraw/zinc/09/46/41/922094641.db2.gz WGCSKSKUZMTURB-VXGBXAGGSA-N 2 2 257.378 0.293 20 0 CCADLP C[C@H](CCNC(=O)CCc1c[nH+]cn1C)[NH2+]C[C@H](C)O ZINC001418429791 922100231 /nfs/dbraw/zinc/10/02/31/922100231.db2.gz HCZFELCBEJPYFR-NEPJUHHUSA-N 2 2 282.388 0.218 20 0 CCADLP CC[C@H](C(=O)N[C@@H]1CC[NH2+]C1)[N@@H+]1CCO[C@@H](CC)C1 ZINC001340736687 922192895 /nfs/dbraw/zinc/19/28/95/922192895.db2.gz VAHYTNVEJIVJFQ-FRRDWIJNSA-N 2 2 269.389 0.354 20 0 CCADLP CC[C@H](C(=O)N[C@@H]1CC[NH2+]C1)[N@H+]1CCO[C@@H](CC)C1 ZINC001340736687 922192900 /nfs/dbraw/zinc/19/29/00/922192900.db2.gz VAHYTNVEJIVJFQ-FRRDWIJNSA-N 2 2 269.389 0.354 20 0 CCADLP [NH3+][C@H](CC(=O)N1CC[NH2+]CCC12CCC2)C(F)F ZINC001340837405 922235025 /nfs/dbraw/zinc/23/50/25/922235025.db2.gz BAPSYFVVIIMBAF-SECBINFHSA-N 2 2 261.316 0.714 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC001340942237 922286563 /nfs/dbraw/zinc/28/65/63/922286563.db2.gz BNWVEKPHKVEAEO-MWLCHTKSSA-N 2 2 250.346 0.845 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC001340942237 922286578 /nfs/dbraw/zinc/28/65/78/922286578.db2.gz BNWVEKPHKVEAEO-MWLCHTKSSA-N 2 2 250.346 0.845 20 0 CCADLP COCC[N@H+](C)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001418940386 922496333 /nfs/dbraw/zinc/49/63/33/922496333.db2.gz IWNZQMUHGKKLLR-ZDUSSCGKSA-N 2 2 280.372 0.310 20 0 CCADLP COCC[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001418940386 922496343 /nfs/dbraw/zinc/49/63/43/922496343.db2.gz IWNZQMUHGKKLLR-ZDUSSCGKSA-N 2 2 280.372 0.310 20 0 CCADLP C[C@H](C(=O)Nc1cc2n(n1)CC[NH2+]C2)n1cc[nH+]c1 ZINC001341506905 922520857 /nfs/dbraw/zinc/52/08/57/922520857.db2.gz VGUFWOLESCVSPL-SECBINFHSA-N 2 2 260.301 0.383 20 0 CCADLP C[NH2+]C1(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CCC1 ZINC001341604652 922577679 /nfs/dbraw/zinc/57/76/79/922577679.db2.gz HTCDDZIJZPRWIZ-RYUDHWBXSA-N 2 2 269.389 0.354 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C1=CCC[NH2+]CC1 ZINC001341661539 922611316 /nfs/dbraw/zinc/61/13/16/922611316.db2.gz DBPJQBVVJGMLHE-LBPRGKRZSA-N 2 2 267.373 0.133 20 0 CCADLP Cc1[nH]c(C[NH2+]C2(C(N)=O)CCOCC2)c(C)[nH+]1 ZINC001341660690 922611821 /nfs/dbraw/zinc/61/18/21/922611821.db2.gz OOKVLOOYKVFFAL-UHFFFAOYSA-N 2 2 252.318 0.151 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]([NH3+])C(F)F ZINC001341684081 922627581 /nfs/dbraw/zinc/62/75/81/922627581.db2.gz LDUHVQGICOKMFN-NXEZZACHSA-N 2 2 263.332 0.960 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]([NH3+])C(F)F ZINC001341684081 922627592 /nfs/dbraw/zinc/62/75/92/922627592.db2.gz LDUHVQGICOKMFN-NXEZZACHSA-N 2 2 263.332 0.960 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H]([NH3+])C(F)F ZINC001341684084 922628453 /nfs/dbraw/zinc/62/84/53/922628453.db2.gz LDUHVQGICOKMFN-UWVGGRQHSA-N 2 2 263.332 0.960 20 0 CCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)C[C@H]([NH3+])C(F)F ZINC001341684084 922628458 /nfs/dbraw/zinc/62/84/58/922628458.db2.gz LDUHVQGICOKMFN-UWVGGRQHSA-N 2 2 263.332 0.960 20 0 CCADLP CC1(C)CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@@H]1[NH3+] ZINC001341710701 922638313 /nfs/dbraw/zinc/63/83/13/922638313.db2.gz GDOJJDCNASPZHJ-MNOVXSKESA-N 2 2 262.357 0.641 20 0 CCADLP C[C@@]1(C[NH3+])CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001341765586 922661612 /nfs/dbraw/zinc/66/16/12/922661612.db2.gz KWHRWXWNAFWTNI-RISCZKNCSA-N 2 2 262.357 0.643 20 0 CCADLP CC[C@@H](C(=O)N[C@@H](C)C[NH3+])[N@@H+]1CCO[C@H](CC)C1 ZINC001341768373 922666227 /nfs/dbraw/zinc/66/62/27/922666227.db2.gz UTWOGCRCERMXOK-TUAOUCFPSA-N 2 2 257.378 0.339 20 0 CCADLP CC[C@@H](C(=O)N[C@@H](C)C[NH3+])[N@H+]1CCO[C@H](CC)C1 ZINC001341768373 922666238 /nfs/dbraw/zinc/66/62/38/922666238.db2.gz UTWOGCRCERMXOK-TUAOUCFPSA-N 2 2 257.378 0.339 20 0 CCADLP CCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](C[C@@H](C)OC)C1 ZINC001419169299 922686159 /nfs/dbraw/zinc/68/61/59/922686159.db2.gz XUELCXQGUQJOIG-ZIAGYGMSSA-N 2 2 294.399 0.841 20 0 CCADLP CCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](C[C@@H](C)OC)C1 ZINC001419169299 922686166 /nfs/dbraw/zinc/68/61/66/922686166.db2.gz XUELCXQGUQJOIG-ZIAGYGMSSA-N 2 2 294.399 0.841 20 0 CCADLP C[NH2+]C[C@@H](O)[C@H](C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001342125562 922814120 /nfs/dbraw/zinc/81/41/20/922814120.db2.gz PZIZGNMAPVRFFK-GXSJLCMTSA-N 2 2 262.313 0.489 20 0 CCADLP C[NH2+]C[C@H](O)[C@H](C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001342125565 922814363 /nfs/dbraw/zinc/81/43/63/922814363.db2.gz PZIZGNMAPVRFFK-ONGXEEELSA-N 2 2 262.313 0.489 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001419564912 922922908 /nfs/dbraw/zinc/92/29/08/922922908.db2.gz ZWZNCXYOTXXLMJ-ZDUSSCGKSA-N 2 2 280.372 0.094 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@H+](CCCO)C1 ZINC001419564912 922922916 /nfs/dbraw/zinc/92/29/16/922922916.db2.gz ZWZNCXYOTXXLMJ-ZDUSSCGKSA-N 2 2 280.372 0.094 20 0 CCADLP O=C(N[C@@H]1C[NH2+]CC12CC2)[C@H]1CCc2c[nH+]cn2C1 ZINC001342851680 923110930 /nfs/dbraw/zinc/11/09/30/923110930.db2.gz GKKLDXMHYFNSCI-CMPLNLGQSA-N 2 2 260.341 0.314 20 0 CCADLP Cc1oncc1C[NH2+][C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001419893082 923151673 /nfs/dbraw/zinc/15/16/73/923151673.db2.gz GAFRRUKIQOTJSR-SNVBAGLBSA-N 2 2 291.355 0.554 20 0 CCADLP C[C@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCO ZINC001420099836 923310214 /nfs/dbraw/zinc/31/02/14/923310214.db2.gz GALUXKASXHSRJZ-SNVBAGLBSA-N 2 2 276.340 0.653 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)C[C@@H]([NH3+])C(F)F ZINC001343438314 923315062 /nfs/dbraw/zinc/31/50/62/923315062.db2.gz CSRVWFPQPGSFHI-SECBINFHSA-N 2 2 267.320 0.053 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)C[C@@H]([NH3+])C(F)F ZINC001343438314 923315072 /nfs/dbraw/zinc/31/50/72/923315072.db2.gz CSRVWFPQPGSFHI-SECBINFHSA-N 2 2 267.320 0.053 20 0 CCADLP C[C@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC1CCOCC1 ZINC001420149605 923348460 /nfs/dbraw/zinc/34/84/60/923348460.db2.gz HMYPASJPBBYQAQ-GFCCVEGCSA-N 2 2 294.399 0.863 20 0 CCADLP CC[C@@H](F)C[NH2+]C[C@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001420197629 923401257 /nfs/dbraw/zinc/40/12/57/923401257.db2.gz IZRRSJKWTFWHQG-MNOVXSKESA-N 2 2 286.351 0.075 20 0 CCADLP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001343706914 923431790 /nfs/dbraw/zinc/43/17/90/923431790.db2.gz FQPCXVRLLBCOSI-RYUDHWBXSA-N 2 2 250.346 0.872 20 0 CCADLP CCCNC(=O)C[N@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001420241552 923445709 /nfs/dbraw/zinc/44/57/09/923445709.db2.gz ATEPEJCKGUUHSP-UHFFFAOYSA-N 2 2 298.431 0.045 20 0 CCADLP CCCNC(=O)C[N@@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001420241552 923445716 /nfs/dbraw/zinc/44/57/16/923445716.db2.gz ATEPEJCKGUUHSP-UHFFFAOYSA-N 2 2 298.431 0.045 20 0 CCADLP C[C@@H](C[NH2+]Cc1csnn1)NC(=O)C[N@H+](C)C1CCC1 ZINC001420433118 923659382 /nfs/dbraw/zinc/65/93/82/923659382.db2.gz COXQBWASPGTELO-JTQLQIEISA-N 2 2 297.428 0.617 20 0 CCADLP C[C@@H](C[NH2+]Cc1csnn1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001420433118 923659389 /nfs/dbraw/zinc/65/93/89/923659389.db2.gz COXQBWASPGTELO-JTQLQIEISA-N 2 2 297.428 0.617 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[N@@H+](C)CCC[C@@H](C)O ZINC001420671086 923865030 /nfs/dbraw/zinc/86/50/30/923865030.db2.gz YUAPIHWTNMOFFF-NWDGAFQWSA-N 2 2 296.415 0.858 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[N@H+](C)CCC[C@@H](C)O ZINC001420671086 923865036 /nfs/dbraw/zinc/86/50/36/923865036.db2.gz YUAPIHWTNMOFFF-NWDGAFQWSA-N 2 2 296.415 0.858 20 0 CCADLP COC[C@H](C)[NH2+]CCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001420726321 923905856 /nfs/dbraw/zinc/90/58/56/923905856.db2.gz KGKGVRAPNRYXEU-QWHCGFSZSA-N 2 2 282.388 0.917 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccn1 ZINC001420847124 923979881 /nfs/dbraw/zinc/97/98/81/923979881.db2.gz LNSBGFXTPLKMGZ-OAHLLOKOSA-N 2 2 299.378 0.977 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@H+]1Cc1ccccn1 ZINC001420847124 923979893 /nfs/dbraw/zinc/97/98/93/923979893.db2.gz LNSBGFXTPLKMGZ-OAHLLOKOSA-N 2 2 299.378 0.977 20 0 CCADLP CC[C@@H](C(=O)NC1C[NH+](CCOC)C1)[NH+](CC)CC ZINC001421067739 924129095 /nfs/dbraw/zinc/12/90/95/924129095.db2.gz ANKHKCZFMFAQNI-ZDUSSCGKSA-N 2 2 271.405 0.554 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NC[C@H]1CCC[N@@H+]1C ZINC001347343148 924427631 /nfs/dbraw/zinc/42/76/31/924427631.db2.gz QFCLZHFHUXAHPQ-LLVKDONJSA-N 2 2 250.346 0.563 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NC[C@H]1CCC[N@H+]1C ZINC001347343148 924427638 /nfs/dbraw/zinc/42/76/38/924427638.db2.gz QFCLZHFHUXAHPQ-LLVKDONJSA-N 2 2 250.346 0.563 20 0 CCADLP O[C@H](C[NH2+]CCCn1cc[nH+]c1)CC1(O)CCOCC1 ZINC001348815961 924812959 /nfs/dbraw/zinc/81/29/59/924812959.db2.gz ZEUIXEFGLRCSIS-ZDUSSCGKSA-N 2 2 283.372 0.155 20 0 CCADLP CC1([NH3+])CC[NH+](C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001349388817 924946195 /nfs/dbraw/zinc/94/61/95/924946195.db2.gz DWXRYTCTHQNEMC-NSHDSACASA-N 2 2 260.403 0.624 20 0 CCADLP C[C@H](C[NH+]1CC=C[C@H]1CO)C[N@@H+]1CC=C[C@@H]1CO ZINC001349709867 925029642 /nfs/dbraw/zinc/02/96/42/925029642.db2.gz CHSNLJDRYIQSEJ-BTTYYORXSA-N 2 2 252.358 0.088 20 0 CCADLP C[C@H](C[NH+]1CC=C[C@H]1CO)C[N@H+]1CC=C[C@@H]1CO ZINC001349709867 925029653 /nfs/dbraw/zinc/02/96/53/925029653.db2.gz CHSNLJDRYIQSEJ-BTTYYORXSA-N 2 2 252.358 0.088 20 0 CCADLP C[C@@H](C[NH+]1CC=C[C@@H]1CO)C[N@@H+]1CC=C[C@H]1CO ZINC001349709867 925029664 /nfs/dbraw/zinc/02/96/64/925029664.db2.gz CHSNLJDRYIQSEJ-BTTYYORXSA-N 2 2 252.358 0.088 20 0 CCADLP C[C@@H](C[NH+]1CC=C[C@@H]1CO)C[N@H+]1CC=C[C@H]1CO ZINC001349709867 925029671 /nfs/dbraw/zinc/02/96/71/925029671.db2.gz CHSNLJDRYIQSEJ-BTTYYORXSA-N 2 2 252.358 0.088 20 0 CCADLP C[C@H](C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1)n1cc[nH+]c1 ZINC001349735513 925036817 /nfs/dbraw/zinc/03/68/17/925036817.db2.gz SGNNUFNNGCJMNA-UPJWGTAASA-N 2 2 262.357 0.997 20 0 CCADLP C[C@H](C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1)n1cc[nH+]c1 ZINC001349735513 925036823 /nfs/dbraw/zinc/03/68/23/925036823.db2.gz SGNNUFNNGCJMNA-UPJWGTAASA-N 2 2 262.357 0.997 20 0 CCADLP CCN1C[C@H](C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)OC1=O ZINC001352923944 925672769 /nfs/dbraw/zinc/67/27/69/925672769.db2.gz ARVHCCRABKIILX-AGIUHOORSA-N 2 2 267.373 0.853 20 0 CCADLP CCN1C[C@H](C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)OC1=O ZINC001352923944 925672773 /nfs/dbraw/zinc/67/27/73/925672773.db2.gz ARVHCCRABKIILX-AGIUHOORSA-N 2 2 267.373 0.853 20 0 CCADLP CCN1C[C@H](C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)OC1=O ZINC001352923944 925672775 /nfs/dbraw/zinc/67/27/75/925672775.db2.gz ARVHCCRABKIILX-AGIUHOORSA-N 2 2 267.373 0.853 20 0 CCADLP CCN1C[C@H](C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)OC1=O ZINC001352923944 925672779 /nfs/dbraw/zinc/67/27/79/925672779.db2.gz ARVHCCRABKIILX-AGIUHOORSA-N 2 2 267.373 0.853 20 0 CCADLP CON(C)C(=O)CC[NH2+][C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001353340784 925805164 /nfs/dbraw/zinc/80/51/64/925805164.db2.gz SXJYXEHBZDFHDA-GFCCVEGCSA-N 2 2 257.378 0.859 20 0 CCADLP CON(C)C(=O)CC[NH2+][C@@H]1CCC[N@H+](C(C)C)C1 ZINC001353340784 925805174 /nfs/dbraw/zinc/80/51/74/925805174.db2.gz SXJYXEHBZDFHDA-GFCCVEGCSA-N 2 2 257.378 0.859 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001413856282 925809777 /nfs/dbraw/zinc/80/97/77/925809777.db2.gz AJQRXHSOOPMWLX-GFCCVEGCSA-N 2 2 285.351 0.958 20 0 CCADLP CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@H](C[NH3+])C1CC1 ZINC001353883083 925953193 /nfs/dbraw/zinc/95/31/93/925953193.db2.gz SNHOPGXVPVKSEV-DGCLKSJQSA-N 2 2 262.357 0.641 20 0 CCADLP C[C@@H](Nc1cc[nH+]c(CO)c1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001354266333 926062008 /nfs/dbraw/zinc/06/20/08/926062008.db2.gz LGLJQLSYKFUZQD-RISCZKNCSA-N 2 2 264.373 0.620 20 0 CCADLP C[C@@H](Nc1cc[nH+]c(CO)c1)[C@@H]1CN(C)CC[N@H+]1C ZINC001354266333 926062015 /nfs/dbraw/zinc/06/20/15/926062015.db2.gz LGLJQLSYKFUZQD-RISCZKNCSA-N 2 2 264.373 0.620 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCCNc2ccc(C)c[nH+]2)C1 ZINC001355138184 926217032 /nfs/dbraw/zinc/21/70/32/926217032.db2.gz LQNJWRABBHGPEX-CYBMUJFWSA-N 2 2 292.383 0.639 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NCCNc2ccc(C)c[nH+]2)C1 ZINC001355138184 926217040 /nfs/dbraw/zinc/21/70/40/926217040.db2.gz LQNJWRABBHGPEX-CYBMUJFWSA-N 2 2 292.383 0.639 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c[nH+]1 ZINC001355488277 926269429 /nfs/dbraw/zinc/26/94/29/926269429.db2.gz NVCYMXVIRRAFSU-QJPTWQEYSA-N 2 2 262.357 0.936 20 0 CCADLP O=C(NCCCCn1cc[nH+]c1)[C@H]1[NH2+]CC12CCOCC2 ZINC001357144968 926488670 /nfs/dbraw/zinc/48/86/70/926488670.db2.gz LJYHMTBRXXMYEV-CYBMUJFWSA-N 2 2 292.383 0.548 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C[C@@H]([NH3+])C(F)F ZINC001357518150 926554801 /nfs/dbraw/zinc/55/48/01/926554801.db2.gz SXSPRGDVBHCQBY-BBBLOLIVSA-N 2 2 263.332 0.768 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C[C@@H]([NH3+])C(F)F ZINC001357518150 926554808 /nfs/dbraw/zinc/55/48/08/926554808.db2.gz SXSPRGDVBHCQBY-BBBLOLIVSA-N 2 2 263.332 0.768 20 0 CCADLP CN(CC[NH+]1CCCCC1)C(=O)C[C@@H]([NH3+])C(F)F ZINC001357810172 926599493 /nfs/dbraw/zinc/59/94/93/926599493.db2.gz CWBQAJKBGPAEQA-SNVBAGLBSA-N 2 2 263.332 0.913 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1[C@H](C)C[NH2+][C@@H](C)[C@@H]1C ZINC001358176612 926650793 /nfs/dbraw/zinc/65/07/93/926650793.db2.gz PGHQFUOEIVYUNK-YWVKMMECSA-N 2 2 250.346 0.858 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@]1(O)CC[N@H+](CCCF)C1 ZINC001421352848 926693131 /nfs/dbraw/zinc/69/31/31/926693131.db2.gz VFWDZQHUFZUTAH-CQSZACIVSA-N 2 2 298.362 0.255 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@]1(O)CC[N@@H+](CCCF)C1 ZINC001421352848 926693138 /nfs/dbraw/zinc/69/31/38/926693138.db2.gz VFWDZQHUFZUTAH-CQSZACIVSA-N 2 2 298.362 0.255 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@]1(O)CC[N@H+](CCCF)C1 ZINC001421352848 926693146 /nfs/dbraw/zinc/69/31/46/926693146.db2.gz VFWDZQHUFZUTAH-CQSZACIVSA-N 2 2 298.362 0.255 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@]1(O)CC[N@@H+](CCCF)C1 ZINC001421352848 926693153 /nfs/dbraw/zinc/69/31/53/926693153.db2.gz VFWDZQHUFZUTAH-CQSZACIVSA-N 2 2 298.362 0.255 20 0 CCADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC[C@@H]1CCOC1 ZINC001421515384 926785271 /nfs/dbraw/zinc/78/52/71/926785271.db2.gz ZZYJYKQYLQOLCR-KGLIPLIRSA-N 2 2 294.399 0.794 20 0 CCADLP CC[NH2+]C1CCN(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001421594274 926808480 /nfs/dbraw/zinc/80/84/80/926808480.db2.gz ODUQFKDQWFKZHI-UHFFFAOYSA-N 2 2 279.388 0.073 20 0 CCADLP COC[C@@H](C)[NH2+]CC[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001421662690 926834631 /nfs/dbraw/zinc/83/46/31/926834631.db2.gz XZHVXLPLWOAJJL-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]CC1CCOCC1 ZINC001421745766 926889547 /nfs/dbraw/zinc/88/95/47/926889547.db2.gz KCGLCSTWYHCWLX-LBPRGKRZSA-N 2 2 294.399 0.721 20 0 CCADLP Cc1cc(C[NH2+]C[C@H](C)CNC(=O)Cn2cc[nH+]c2)on1 ZINC001421767207 926900868 /nfs/dbraw/zinc/90/08/68/926900868.db2.gz IEUZBBKEJYTMMA-NSHDSACASA-N 2 2 291.355 0.722 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1C[N@H+](CCC2CC2)CCO1 ZINC001421799446 926914114 /nfs/dbraw/zinc/91/41/14/926914114.db2.gz NZQCFXAMUVCYCE-AWEZNQCLSA-N 2 2 292.383 0.500 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1C[N@@H+](CCC2CC2)CCO1 ZINC001421799446 926914122 /nfs/dbraw/zinc/91/41/22/926914122.db2.gz NZQCFXAMUVCYCE-AWEZNQCLSA-N 2 2 292.383 0.500 20 0 CCADLP COCC[NH+]1CCC([NH2+]Cc2cnc(N(C)C)nc2)CC1 ZINC001414062908 926914982 /nfs/dbraw/zinc/91/49/82/926914982.db2.gz DNNMEAQOMKOTRP-UHFFFAOYSA-N 2 2 293.415 0.743 20 0 CCADLP C[C@H](C[NH2+]Cc1cnn(C)c1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001421966407 927019022 /nfs/dbraw/zinc/01/90/22/927019022.db2.gz ZWJNDRXADGZLEH-LLVKDONJSA-N 2 2 290.371 0.322 20 0 CCADLP CC(C)[C@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]C[C@H](C)O ZINC001422122485 927083088 /nfs/dbraw/zinc/08/30/88/927083088.db2.gz GPDOANWQCPXNGW-STQMWFEESA-N 2 2 296.415 0.464 20 0 CCADLP CC[NH+]1CC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001361726531 927279520 /nfs/dbraw/zinc/27/95/20/927279520.db2.gz HMLWPHORVRCMEZ-KGLIPLIRSA-N 2 2 283.416 0.554 20 0 CCADLP CC[N@@H+]1CC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC001361726531 927279496 /nfs/dbraw/zinc/27/94/96/927279496.db2.gz HMLWPHORVRCMEZ-KGLIPLIRSA-N 2 2 283.416 0.554 20 0 CCADLP CC[N@H+]1CC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC001361726531 927279504 /nfs/dbraw/zinc/27/95/04/927279504.db2.gz HMLWPHORVRCMEZ-KGLIPLIRSA-N 2 2 283.416 0.554 20 0 CCADLP CC[NH+]1CC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001361726531 927279530 /nfs/dbraw/zinc/27/95/30/927279530.db2.gz HMLWPHORVRCMEZ-KGLIPLIRSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)[NH2+]Cc1nccn1C ZINC001422443343 927283284 /nfs/dbraw/zinc/28/32/84/927283284.db2.gz XRBJVPRWXUXJNJ-VXGBXAGGSA-N 2 2 290.371 0.300 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH+](C)C/C=C/Cl ZINC001422489309 927312818 /nfs/dbraw/zinc/31/28/18/927312818.db2.gz TXCBKTAVMPRSBZ-RVAOTSRCSA-N 2 2 289.807 0.506 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH+](C)C/C=C/Cl ZINC001422489309 927312829 /nfs/dbraw/zinc/31/28/29/927312829.db2.gz TXCBKTAVMPRSBZ-RVAOTSRCSA-N 2 2 289.807 0.506 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@H+](C)C/C=C/Cl ZINC001422489309 927312839 /nfs/dbraw/zinc/31/28/39/927312839.db2.gz TXCBKTAVMPRSBZ-RVAOTSRCSA-N 2 2 289.807 0.506 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@@H+](C)C/C=C/Cl ZINC001422489309 927312846 /nfs/dbraw/zinc/31/28/46/927312846.db2.gz TXCBKTAVMPRSBZ-RVAOTSRCSA-N 2 2 289.807 0.506 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+]Cc1ncccn1 ZINC001422543651 927358983 /nfs/dbraw/zinc/35/89/83/927358983.db2.gz QMODQVIUNXWUES-LLVKDONJSA-N 2 2 288.355 0.276 20 0 CCADLP C[NH+](C)C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCOCC1 ZINC001361871000 927408180 /nfs/dbraw/zinc/40/81/80/927408180.db2.gz PQVQMXDFJYFMPX-VXGBXAGGSA-N 2 2 292.383 0.740 20 0 CCADLP C[NH+](C)C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCOCC1 ZINC001361871000 927408188 /nfs/dbraw/zinc/40/81/88/927408188.db2.gz PQVQMXDFJYFMPX-VXGBXAGGSA-N 2 2 292.383 0.740 20 0 CCADLP COCC[N@@H+]1CCCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001422715154 927468166 /nfs/dbraw/zinc/46/81/66/927468166.db2.gz GTCUDEWVYPDNKN-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP COCC[N@H+]1CCCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001422715154 927468173 /nfs/dbraw/zinc/46/81/73/927468173.db2.gz GTCUDEWVYPDNKN-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCO1 ZINC001361997329 927509712 /nfs/dbraw/zinc/50/97/12/927509712.db2.gz UTCFYMVNJUKKRU-RBSFLKMASA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCO1 ZINC001361997329 927509720 /nfs/dbraw/zinc/50/97/20/927509720.db2.gz UTCFYMVNJUKKRU-RBSFLKMASA-N 2 2 297.443 0.944 20 0 CCADLP CC[N@@H+]1CC[C@H]1C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001362013762 927520658 /nfs/dbraw/zinc/52/06/58/927520658.db2.gz CLWXKZVSDBRUSV-KGLIPLIRSA-N 2 2 281.400 0.404 20 0 CCADLP CC[N@H+]1CC[C@H]1C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001362013762 927520666 /nfs/dbraw/zinc/52/06/66/927520666.db2.gz CLWXKZVSDBRUSV-KGLIPLIRSA-N 2 2 281.400 0.404 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001362019684 927527452 /nfs/dbraw/zinc/52/74/52/927527452.db2.gz LYZTXOZUCMGMHC-ZDUSSCGKSA-N 2 2 287.379 0.211 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)CC[N@H+]1CC[C@H](F)C1 ZINC001362019684 927527460 /nfs/dbraw/zinc/52/74/60/927527460.db2.gz LYZTXOZUCMGMHC-ZDUSSCGKSA-N 2 2 287.379 0.211 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC001362132326 927646518 /nfs/dbraw/zinc/64/65/18/927646518.db2.gz YTIJMQVBZARWEF-MGPQQGTHSA-N 2 2 284.448 0.325 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC001362132326 927646525 /nfs/dbraw/zinc/64/65/25/927646525.db2.gz YTIJMQVBZARWEF-MGPQQGTHSA-N 2 2 284.448 0.325 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC001362132321 927647146 /nfs/dbraw/zinc/64/71/46/927647146.db2.gz YTIJMQVBZARWEF-MCIONIFRSA-N 2 2 284.448 0.325 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC001362132321 927647153 /nfs/dbraw/zinc/64/71/53/927647153.db2.gz YTIJMQVBZARWEF-MCIONIFRSA-N 2 2 284.448 0.325 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCC[C@](C)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001423706871 927963688 /nfs/dbraw/zinc/96/36/88/927963688.db2.gz WZWDFMPRKSXZIL-IUODEOHRSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](O)C[N@H+]1CCC[C@](C)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001423706871 927963698 /nfs/dbraw/zinc/96/36/98/927963698.db2.gz WZWDFMPRKSXZIL-IUODEOHRSA-N 2 2 294.399 0.551 20 0 CCADLP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)o1 ZINC001362472120 928063734 /nfs/dbraw/zinc/06/37/34/928063734.db2.gz BFELAFNKXPFMPP-SNVBAGLBSA-N 2 2 274.324 0.892 20 0 CCADLP CC(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001424118381 928103845 /nfs/dbraw/zinc/10/38/45/928103845.db2.gz DGLXSRYFPUMLHG-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP CC(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001424118381 928103846 /nfs/dbraw/zinc/10/38/46/928103846.db2.gz DGLXSRYFPUMLHG-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP COC[C@H](C)[NH2+]C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001424152721 928114333 /nfs/dbraw/zinc/11/43/33/928114333.db2.gz KAPBEVNOPVLSCC-QWHCGFSZSA-N 2 2 294.399 0.958 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1csnn1 ZINC001424859819 928321669 /nfs/dbraw/zinc/32/16/69/928321669.db2.gz RCHVATYJOYQGKB-MNOVXSKESA-N 2 2 299.444 0.861 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1csnn1 ZINC001424859819 928321680 /nfs/dbraw/zinc/32/16/80/928321680.db2.gz RCHVATYJOYQGKB-MNOVXSKESA-N 2 2 299.444 0.861 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001425135291 928443261 /nfs/dbraw/zinc/44/32/61/928443261.db2.gz NIDAIYMKBGZTJZ-CHWSQXEVSA-N 2 2 283.416 0.432 20 0 CCADLP CC(C)[C@H](CCN(C)C(=O)Cn1cc[nH+]c1)[NH2+]C[C@@H](C)O ZINC001425166799 928450452 /nfs/dbraw/zinc/45/04/52/928450452.db2.gz VPGQWHMDKOUOGY-KGLIPLIRSA-N 2 2 296.415 0.727 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001362985980 928727398 /nfs/dbraw/zinc/72/73/98/928727398.db2.gz ASPNKBMIYJZVTE-QWRGUYRKSA-N 2 2 278.356 0.178 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001362985980 928727406 /nfs/dbraw/zinc/72/74/06/928727406.db2.gz ASPNKBMIYJZVTE-QWRGUYRKSA-N 2 2 278.356 0.178 20 0 CCADLP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CC[NH+](C)[C@H](CO)C3)C[N@@H+]2C1 ZINC001363231540 929003280 /nfs/dbraw/zinc/00/32/80/929003280.db2.gz IJFROZHOGPFQDO-QPSCCSFWSA-N 2 2 295.427 0.242 20 0 CCADLP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CC[NH+](C)[C@H](CO)C3)C[N@H+]2C1 ZINC001363231540 929003286 /nfs/dbraw/zinc/00/32/86/929003286.db2.gz IJFROZHOGPFQDO-QPSCCSFWSA-N 2 2 295.427 0.242 20 0 CCADLP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CC[N@H+](C)[C@H](CO)C3)C[NH+]2C1 ZINC001363231540 929003298 /nfs/dbraw/zinc/00/32/98/929003298.db2.gz IJFROZHOGPFQDO-QPSCCSFWSA-N 2 2 295.427 0.242 20 0 CCADLP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CC[N@@H+](C)[C@H](CO)C3)C[NH+]2C1 ZINC001363231540 929003308 /nfs/dbraw/zinc/00/33/08/929003308.db2.gz IJFROZHOGPFQDO-QPSCCSFWSA-N 2 2 295.427 0.242 20 0 CCADLP CC(C)[C@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CCO1 ZINC001363356379 929142912 /nfs/dbraw/zinc/14/29/12/929142912.db2.gz CNIGSPKLWYCZDY-UONOGXRCSA-N 2 2 283.416 0.554 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1[NH+]1CCC(O)CC1 ZINC001363690356 929487983 /nfs/dbraw/zinc/48/79/83/929487983.db2.gz QXKFLBZBCGFUHD-RBSFLKMASA-N 2 2 295.427 0.575 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1[NH+]1CCC(O)CC1 ZINC001363690356 929487994 /nfs/dbraw/zinc/48/79/94/929487994.db2.gz QXKFLBZBCGFUHD-RBSFLKMASA-N 2 2 295.427 0.575 20 0 CCADLP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CCO ZINC001371828451 929642145 /nfs/dbraw/zinc/64/21/45/929642145.db2.gz NYSZXJAPPOXWJL-QJPTWQEYSA-N 2 2 280.372 0.000 20 0 CCADLP C[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)CCC1CCOCC1 ZINC001372128433 929739978 /nfs/dbraw/zinc/73/99/78/929739978.db2.gz AWFJKGLYPUNERT-UHFFFAOYSA-N 2 2 294.399 0.817 20 0 CCADLP C[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)CCC1CCOCC1 ZINC001372128433 929739991 /nfs/dbraw/zinc/73/99/91/929739991.db2.gz AWFJKGLYPUNERT-UHFFFAOYSA-N 2 2 294.399 0.817 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]Cc1cccnc1 ZINC001444394066 929862585 /nfs/dbraw/zinc/86/25/85/929862585.db2.gz PLVZNHYPARBESW-GFCCVEGCSA-N 2 2 287.367 0.889 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]C[C@@H]1CCOC1 ZINC001444421486 929866433 /nfs/dbraw/zinc/86/64/33/929866433.db2.gz PCNAAUNBJYFMDW-OLZOCXBDSA-N 2 2 280.372 0.262 20 0 CCADLP CN(CC[N@H+](C)C[C@@H]1CCOC1)C(=O)Cn1cc[nH+]c1 ZINC001445085002 930025532 /nfs/dbraw/zinc/02/55/32/930025532.db2.gz BUQRJWCHIZEDBS-ZDUSSCGKSA-N 2 2 280.372 0.310 20 0 CCADLP CN(CC[N@@H+](C)C[C@@H]1CCOC1)C(=O)Cn1cc[nH+]c1 ZINC001445085002 930025541 /nfs/dbraw/zinc/02/55/41/930025541.db2.gz BUQRJWCHIZEDBS-ZDUSSCGKSA-N 2 2 280.372 0.310 20 0 CCADLP C[C@H](C[NH2+]Cc1cnn(C)c1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001445379282 930121806 /nfs/dbraw/zinc/12/18/06/930121806.db2.gz JRBDTEJUMLFKIW-LLVKDONJSA-N 2 2 290.371 0.370 20 0 CCADLP C[C@H](C[NH2+]Cc1cnn(C)c1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001445379282 930121815 /nfs/dbraw/zinc/12/18/15/930121815.db2.gz JRBDTEJUMLFKIW-LLVKDONJSA-N 2 2 290.371 0.370 20 0 CCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC1C[NH+](CCCO)C1 ZINC001373428260 930188869 /nfs/dbraw/zinc/18/88/69/930188869.db2.gz OYQFUMVMXFOIHU-LBPRGKRZSA-N 2 2 294.399 0.579 20 0 CCADLP Cc1cnc(C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C)o1 ZINC001445660945 930200690 /nfs/dbraw/zinc/20/06/90/930200690.db2.gz XYLPJJPZMLZNIF-NSHDSACASA-N 2 2 282.388 0.918 20 0 CCADLP Cc1cnc(C[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)C(C)C)o1 ZINC001445660945 930200699 /nfs/dbraw/zinc/20/06/99/930200699.db2.gz XYLPJJPZMLZNIF-NSHDSACASA-N 2 2 282.388 0.918 20 0 CCADLP Cc1cnc(C[NH2+]C2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001446273697 930380232 /nfs/dbraw/zinc/38/02/32/930380232.db2.gz HKMRSTVHPYSLJO-LBPRGKRZSA-N 2 2 292.383 0.673 20 0 CCADLP Cc1cnc(C[NH2+]C2(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC001446273697 930380242 /nfs/dbraw/zinc/38/02/42/930380242.db2.gz HKMRSTVHPYSLJO-LBPRGKRZSA-N 2 2 292.383 0.673 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@]1(C)CC[N@@H+](C[C@@H](C)O)C1 ZINC001446569682 930441256 /nfs/dbraw/zinc/44/12/56/930441256.db2.gz YCRCOCXTVCVHBU-YGRLFVJLSA-N 2 2 280.372 0.222 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@]1(C)CC[N@H+](C[C@@H](C)O)C1 ZINC001446569682 930441260 /nfs/dbraw/zinc/44/12/60/930441260.db2.gz YCRCOCXTVCVHBU-YGRLFVJLSA-N 2 2 280.372 0.222 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]C[C@@H](C)O)CCCC1 ZINC001374177946 930444310 /nfs/dbraw/zinc/44/43/10/930444310.db2.gz LAIARBSZTJHCPH-LLVKDONJSA-N 2 2 294.399 0.660 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001446593136 930444775 /nfs/dbraw/zinc/44/47/75/930444775.db2.gz IFLXLHJIGJBFAH-RISCZKNCSA-N 2 2 280.372 0.161 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C[NH2+]C(C)(C)C)C[C@@H]1C ZINC001446973361 930530064 /nfs/dbraw/zinc/53/00/64/930530064.db2.gz KJMTUAZHYDJZTO-LBPRGKRZSA-N 2 2 299.415 0.470 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)C[NH2+]C(C)(C)C)C[C@@H]1C ZINC001446973361 930530078 /nfs/dbraw/zinc/53/00/78/930530078.db2.gz KJMTUAZHYDJZTO-LBPRGKRZSA-N 2 2 299.415 0.470 20 0 CCADLP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2cnon2)CC1 ZINC001447297600 930603609 /nfs/dbraw/zinc/60/36/09/930603609.db2.gz LWHNLQJGMDAHPJ-LBPRGKRZSA-N 2 2 295.387 0.492 20 0 CCADLP C[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2cnon2)CC1 ZINC001447297600 930603613 /nfs/dbraw/zinc/60/36/13/930603613.db2.gz LWHNLQJGMDAHPJ-LBPRGKRZSA-N 2 2 295.387 0.492 20 0 CCADLP CN(CCC[N@H+](C)Cc1cnn(C)n1)C(=O)CC[NH+](C)C ZINC001447361957 930616995 /nfs/dbraw/zinc/61/69/95/930616995.db2.gz XEUZFGZXABKKLJ-UHFFFAOYSA-N 2 2 296.419 0.047 20 0 CCADLP CN(CCC[N@@H+](C)Cc1cnn(C)n1)C(=O)CC[NH+](C)C ZINC001447361957 930617003 /nfs/dbraw/zinc/61/70/03/930617003.db2.gz XEUZFGZXABKKLJ-UHFFFAOYSA-N 2 2 296.419 0.047 20 0 CCADLP CCC1([NH2+]CCO)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001447422463 930630949 /nfs/dbraw/zinc/63/09/49/930630949.db2.gz AXHXPUXJWWESDA-UHFFFAOYSA-N 2 2 294.399 0.614 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnsn1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374977338 930741606 /nfs/dbraw/zinc/74/16/06/930741606.db2.gz PWWGCVMAKLNSEY-VHSXEESVSA-N 2 2 283.401 0.084 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnsn1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001374977338 930741612 /nfs/dbraw/zinc/74/16/12/930741612.db2.gz PWWGCVMAKLNSEY-VHSXEESVSA-N 2 2 283.401 0.084 20 0 CCADLP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1ccccn1 ZINC001447933865 930758825 /nfs/dbraw/zinc/75/88/25/930758825.db2.gz CSTGFHWKMMCXHB-STQMWFEESA-N 2 2 287.367 0.961 20 0 CCADLP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)Cc1cncn1C ZINC001448146536 930834767 /nfs/dbraw/zinc/83/47/67/930834767.db2.gz JCODBWPRVQWVTG-ZDUSSCGKSA-N 2 2 293.415 0.452 20 0 CCADLP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)Cc1cncn1C ZINC001448146536 930834776 /nfs/dbraw/zinc/83/47/76/930834776.db2.gz JCODBWPRVQWVTG-ZDUSSCGKSA-N 2 2 293.415 0.452 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001375520193 930906955 /nfs/dbraw/zinc/90/69/55/930906955.db2.gz WZUFXQGTJSQNLJ-RTXFEEFZSA-N 2 2 294.399 0.780 20 0 CCADLP CN(C(=O)CC[NH+](C)C)C1C[NH+](CCOC2CCC2)C1 ZINC001375700172 930953200 /nfs/dbraw/zinc/95/32/00/930953200.db2.gz CSYLFQQFMYAQKK-UHFFFAOYSA-N 2 2 283.416 0.650 20 0 CCADLP CC1CC(C[NH+]2CC(O)(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001376139631 931064117 /nfs/dbraw/zinc/06/41/17/931064117.db2.gz DSFRKACROZWVKK-JXQTWKCFSA-N 2 2 295.427 0.290 20 0 CCADLP CC1CC(C[NH+]2CC(O)(CNC(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001376139631 931064122 /nfs/dbraw/zinc/06/41/22/931064122.db2.gz DSFRKACROZWVKK-JXQTWKCFSA-N 2 2 295.427 0.290 20 0 CCADLP Cn1ccc(C[N@@H+]2CC[C@@H](NC(=O)CCC[NH+](C)C)C2)n1 ZINC001376145966 931069802 /nfs/dbraw/zinc/06/98/02/931069802.db2.gz CYCZEXYYMCTIHD-CYBMUJFWSA-N 2 2 293.415 0.452 20 0 CCADLP Cn1ccc(C[N@H+]2CC[C@@H](NC(=O)CCC[NH+](C)C)C2)n1 ZINC001376145966 931069806 /nfs/dbraw/zinc/06/98/06/931069806.db2.gz CYCZEXYYMCTIHD-CYBMUJFWSA-N 2 2 293.415 0.452 20 0 CCADLP Cc1nnc(C[NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)o1 ZINC001376354279 931129745 /nfs/dbraw/zinc/12/97/45/931129745.db2.gz ZXFUWFSUFNFWHP-LBPRGKRZSA-N 2 2 295.387 0.409 20 0 CCADLP Cc1nnc(C[NH2+][C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)o1 ZINC001376354279 931129750 /nfs/dbraw/zinc/12/97/50/931129750.db2.gz ZXFUWFSUFNFWHP-LBPRGKRZSA-N 2 2 295.387 0.409 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cnsn2)C1 ZINC001376410525 931143819 /nfs/dbraw/zinc/14/38/19/931143819.db2.gz VGOFUXIMWBOJRJ-XYPYZODXSA-N 2 2 297.428 0.615 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CCCC[N@H+]1CCO ZINC001376585770 931186920 /nfs/dbraw/zinc/18/69/20/931186920.db2.gz SAWREYRJPATONE-CYBMUJFWSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CCCC[N@@H+]1CCO ZINC001376585770 931186924 /nfs/dbraw/zinc/18/69/24/931186924.db2.gz SAWREYRJPATONE-CYBMUJFWSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CCCC[N@H+]1CCO ZINC001376585770 931186934 /nfs/dbraw/zinc/18/69/34/931186934.db2.gz SAWREYRJPATONE-CYBMUJFWSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CCCC[N@@H+]1CCO ZINC001376585770 931186939 /nfs/dbraw/zinc/18/69/39/931186939.db2.gz SAWREYRJPATONE-CYBMUJFWSA-N 2 2 280.372 0.305 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC[C@H]1CCCO1 ZINC001376823632 931291270 /nfs/dbraw/zinc/29/12/70/931291270.db2.gz JUNKAAAEKFHQIV-WCQYABFASA-N 2 2 280.372 0.616 20 0 CCADLP C[NH+](C)CCNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000090998262 349446246 /nfs/dbraw/zinc/44/62/46/349446246.db2.gz IMMSDUWLWICDLP-LBPRGKRZSA-N 2 2 279.388 0.659 20 0 CCADLP O=C(C[C@H]1C[NH2+]CCO1)NCCCCn1cc[nH+]c1 ZINC000091311336 349461159 /nfs/dbraw/zinc/46/11/59/349461159.db2.gz PRYJARHAQOPEIX-LBPRGKRZSA-N 2 2 266.345 0.158 20 0 CCADLP COCC[NH2+]CC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000092495330 349496434 /nfs/dbraw/zinc/49/64/34/349496434.db2.gz NTOJVCUOPZQRNG-UHFFFAOYSA-N 2 2 292.383 0.403 20 0 CCADLP COC(=O)[C@@]1(OC)CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000599565566 361745250 /nfs/dbraw/zinc/74/52/50/361745250.db2.gz VEICBZBBUQCPBY-CYBMUJFWSA-N 2 2 267.329 0.227 20 0 CCADLP COC(=O)[C@@]1(OC)CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000599565566 361745252 /nfs/dbraw/zinc/74/52/52/361745252.db2.gz VEICBZBBUQCPBY-CYBMUJFWSA-N 2 2 267.329 0.227 20 0 CCADLP CC[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000093173375 349529581 /nfs/dbraw/zinc/52/95/81/349529581.db2.gz UQYUEABENUCBFO-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000093173375 349529583 /nfs/dbraw/zinc/52/95/83/349529583.db2.gz UQYUEABENUCBFO-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP C[NH+](C)C[C@@H](O)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000361208630 282117841 /nfs/dbraw/zinc/11/78/41/282117841.db2.gz NFFXTHNYBLNHDD-ZDUSSCGKSA-N 3 2 257.422 0.761 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000093256733 349534063 /nfs/dbraw/zinc/53/40/63/349534063.db2.gz YYXKVBBFUABAQN-OLZOCXBDSA-N 2 2 253.390 0.738 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000093256733 349534067 /nfs/dbraw/zinc/53/40/67/349534067.db2.gz YYXKVBBFUABAQN-OLZOCXBDSA-N 2 2 253.390 0.738 20 0 CCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1CC(=O)C1 ZINC000617506454 365662761 /nfs/dbraw/zinc/66/27/61/365662761.db2.gz OBMGTAVKZYQMEE-NSHDSACASA-N 2 2 269.389 0.354 20 0 CCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1CC(=O)C1 ZINC000617506454 365662765 /nfs/dbraw/zinc/66/27/65/365662765.db2.gz OBMGTAVKZYQMEE-NSHDSACASA-N 2 2 269.389 0.354 20 0 CCADLP CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)[NH+](C)C ZINC000617506764 365663128 /nfs/dbraw/zinc/66/31/28/365663128.db2.gz YMLYVMROIXVXBO-UONOGXRCSA-N 3 2 286.464 0.715 20 0 CCADLP CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)[NH+](C)C ZINC000617506764 365663137 /nfs/dbraw/zinc/66/31/37/365663137.db2.gz YMLYVMROIXVXBO-UONOGXRCSA-N 3 2 286.464 0.715 20 0 CCADLP c1[nH]cc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)[nH+]1 ZINC000093817641 349553289 /nfs/dbraw/zinc/55/32/89/349553289.db2.gz ZHAJWSWNYCWIEP-LBPRGKRZSA-N 2 2 250.346 0.564 20 0 CCADLP c1[nH]c(CN2CC[NH+](C[C@@H]3CCOC3)CC2)c[nH+]1 ZINC000093817641 349553291 /nfs/dbraw/zinc/55/32/91/349553291.db2.gz ZHAJWSWNYCWIEP-LBPRGKRZSA-N 2 2 250.346 0.564 20 0 CCADLP C[NH2+]CC(=O)N[C@H](C[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000430840562 290639219 /nfs/dbraw/zinc/63/92/19/290639219.db2.gz XZRHAXCGXKKUIB-OAHLLOKOSA-N 2 2 291.395 0.704 20 0 CCADLP O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)[C@H]1CC[NH2+]1 ZINC000444177513 295678478 /nfs/dbraw/zinc/67/84/78/295678478.db2.gz WXDKMDXRMPVNPX-HUUCEWRRSA-N 2 2 289.379 0.538 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC000125745707 187198191 /nfs/dbraw/zinc/19/81/91/187198191.db2.gz WZARCVFAWJWARM-JHJVBQTASA-N 2 2 262.357 0.859 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](C)C2)C1 ZINC000104147360 349709918 /nfs/dbraw/zinc/70/99/18/349709918.db2.gz YIRAJESFZPLKNM-QWHCGFSZSA-N 2 2 253.390 0.786 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H](C)C2)C1 ZINC000104147360 349709920 /nfs/dbraw/zinc/70/99/20/349709920.db2.gz YIRAJESFZPLKNM-QWHCGFSZSA-N 2 2 253.390 0.786 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000423674516 529566598 /nfs/dbraw/zinc/56/65/98/529566598.db2.gz GUYQXOZUNVZSJS-YPMHNXCESA-N 2 2 269.389 0.483 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000423674516 529566600 /nfs/dbraw/zinc/56/66/00/529566600.db2.gz GUYQXOZUNVZSJS-YPMHNXCESA-N 2 2 269.389 0.483 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NCC(F)(F)F)C1 ZINC000104426147 349716329 /nfs/dbraw/zinc/71/63/29/349716329.db2.gz OLEUXAVAIXHBER-BDAKNGLRSA-N 2 2 267.295 0.724 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NCC(F)(F)F)C1 ZINC000104426147 349716332 /nfs/dbraw/zinc/71/63/32/349716332.db2.gz OLEUXAVAIXHBER-BDAKNGLRSA-N 2 2 267.295 0.724 20 0 CCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000107369156 349736490 /nfs/dbraw/zinc/73/64/90/349736490.db2.gz ZRNDJNPQESRWMX-OAHLLOKOSA-N 2 2 296.459 0.567 20 0 CCADLP CCN(CC)C(=O)C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000107369156 349736500 /nfs/dbraw/zinc/73/65/00/349736500.db2.gz ZRNDJNPQESRWMX-OAHLLOKOSA-N 2 2 296.459 0.567 20 0 CCADLP C[C@@H](C(=O)N1CCCCC1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107578848 349738689 /nfs/dbraw/zinc/73/86/89/349738689.db2.gz HWKIYVBTLCDVDU-RWMBFGLXSA-N 2 2 251.374 0.539 20 0 CCADLP C[C@@H](C(=O)N1CCCCC1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107578848 349738693 /nfs/dbraw/zinc/73/86/93/349738693.db2.gz HWKIYVBTLCDVDU-RWMBFGLXSA-N 2 2 251.374 0.539 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600748441 362054220 /nfs/dbraw/zinc/05/42/20/362054220.db2.gz MWHKMZTUHHPTSU-DFBGVHRSSA-N 2 2 296.415 0.541 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600748441 362054226 /nfs/dbraw/zinc/05/42/26/362054226.db2.gz MWHKMZTUHHPTSU-DFBGVHRSSA-N 2 2 296.415 0.541 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000600983319 362114891 /nfs/dbraw/zinc/11/48/91/362114891.db2.gz VSGGIUJMHOAVKW-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000600983319 362114898 /nfs/dbraw/zinc/11/48/98/362114898.db2.gz VSGGIUJMHOAVKW-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000600983319 362114902 /nfs/dbraw/zinc/11/49/02/362114902.db2.gz VSGGIUJMHOAVKW-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000600983319 362114906 /nfs/dbraw/zinc/11/49/06/362114906.db2.gz VSGGIUJMHOAVKW-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617718640 365723075 /nfs/dbraw/zinc/72/30/75/365723075.db2.gz AUFATRAXUWXCBR-RWMBFGLXSA-N 2 2 294.399 0.814 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617718640 365723080 /nfs/dbraw/zinc/72/30/80/365723080.db2.gz AUFATRAXUWXCBR-RWMBFGLXSA-N 2 2 294.399 0.814 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[NH+]2C[C@@H](C)OC[C@H]2C)CC[N@@H+]1C ZINC000617720401 365727493 /nfs/dbraw/zinc/72/74/93/365727493.db2.gz BZYMZRHJPODVIV-AAVRWANBSA-N 2 2 283.416 0.552 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[NH+]2C[C@@H](C)OC[C@H]2C)CC[N@H+]1C ZINC000617720401 365727494 /nfs/dbraw/zinc/72/74/94/365727494.db2.gz BZYMZRHJPODVIV-AAVRWANBSA-N 2 2 283.416 0.552 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)CC[NH+]1C ZINC000617720401 365727496 /nfs/dbraw/zinc/72/74/96/365727496.db2.gz BZYMZRHJPODVIV-AAVRWANBSA-N 2 2 283.416 0.552 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)CC[NH+]1C ZINC000617720401 365727497 /nfs/dbraw/zinc/72/74/97/365727497.db2.gz BZYMZRHJPODVIV-AAVRWANBSA-N 2 2 283.416 0.552 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000617725743 365733142 /nfs/dbraw/zinc/73/31/42/365733142.db2.gz OKRSQBMRRVOZMJ-GHMZBOCLSA-N 2 2 280.372 0.486 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000617725743 365733148 /nfs/dbraw/zinc/73/31/48/365733148.db2.gz OKRSQBMRRVOZMJ-GHMZBOCLSA-N 2 2 280.372 0.486 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000601008973 362128362 /nfs/dbraw/zinc/12/83/62/362128362.db2.gz YFBZISRHRRZTBI-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000601008973 362128368 /nfs/dbraw/zinc/12/83/68/362128368.db2.gz YFBZISRHRRZTBI-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP COC[C@H]([NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)[C@@H]1CCCO1 ZINC000423089766 293164640 /nfs/dbraw/zinc/16/46/40/293164640.db2.gz VWNKLMQDKBWKFD-MQYQWHSLSA-N 2 2 272.389 0.537 20 0 CCADLP C[C@@H](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH+](C)C ZINC000617751547 365756090 /nfs/dbraw/zinc/75/60/90/365756090.db2.gz YZWRHKUSLAZOHA-RYUDHWBXSA-N 2 2 264.373 0.902 20 0 CCADLP C[C@H](CCNC(=O)[C@@H](C)[NH+]1CCN(C)CC1)[NH+](C)C ZINC000617752711 365756319 /nfs/dbraw/zinc/75/63/19/365756319.db2.gz SUOJNIRTXDYEBX-CHWSQXEVSA-N 2 2 270.421 0.079 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)NCC[C@@H](C)[NH+](C)C ZINC000617756442 365758786 /nfs/dbraw/zinc/75/87/86/365758786.db2.gz GWEQBUQWOAYVFP-VXGBXAGGSA-N 2 2 257.378 0.164 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)NCC[C@@H](C)[NH+](C)C ZINC000617756442 365758791 /nfs/dbraw/zinc/75/87/91/365758791.db2.gz GWEQBUQWOAYVFP-VXGBXAGGSA-N 2 2 257.378 0.164 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ncc[nH]1 ZINC000617761903 365764662 /nfs/dbraw/zinc/76/46/62/365764662.db2.gz BWLAXCVAISCAQH-UHFFFAOYSA-N 2 2 253.350 0.023 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ncc[nH]1 ZINC000617761903 365764668 /nfs/dbraw/zinc/76/46/68/365764668.db2.gz BWLAXCVAISCAQH-UHFFFAOYSA-N 2 2 253.350 0.023 20 0 CCADLP Cc1nc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(C)o1 ZINC000617763371 365767017 /nfs/dbraw/zinc/76/70/17/365767017.db2.gz OSJXJOZJAAVMEN-UHFFFAOYSA-N 2 2 282.388 0.905 20 0 CCADLP Cc1nc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c(C)o1 ZINC000617763371 365767019 /nfs/dbraw/zinc/76/70/19/365767019.db2.gz OSJXJOZJAAVMEN-UHFFFAOYSA-N 2 2 282.388 0.905 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(C)(C)CO ZINC000617765125 365768815 /nfs/dbraw/zinc/76/88/15/365768815.db2.gz URYGPMCZHJSZCX-UHFFFAOYSA-N 2 2 259.394 0.005 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(C)(C)CO ZINC000617765125 365768818 /nfs/dbraw/zinc/76/88/18/365768818.db2.gz URYGPMCZHJSZCX-UHFFFAOYSA-N 2 2 259.394 0.005 20 0 CCADLP COc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)nn1C ZINC000617764930 365769119 /nfs/dbraw/zinc/76/91/19/365769119.db2.gz MMQHNWZETYAFCI-UHFFFAOYSA-N 2 2 297.403 0.042 20 0 CCADLP COc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)nn1C ZINC000617764930 365769124 /nfs/dbraw/zinc/76/91/24/365769124.db2.gz MMQHNWZETYAFCI-UHFFFAOYSA-N 2 2 297.403 0.042 20 0 CCADLP CCO[C@@H](C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767528 365773748 /nfs/dbraw/zinc/77/37/48/365773748.db2.gz YXOFDNBROLVLOD-LBPRGKRZSA-N 2 2 259.394 0.411 20 0 CCADLP CCO[C@@H](C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767528 365773752 /nfs/dbraw/zinc/77/37/52/365773752.db2.gz YXOFDNBROLVLOD-LBPRGKRZSA-N 2 2 259.394 0.411 20 0 CCADLP C[N@@H+]1CCN(CCNC(=O)C=Cc2c[nH]c[nH+]2)CC1(C)C ZINC000492814156 529771343 /nfs/dbraw/zinc/77/13/43/529771343.db2.gz STEKMJOADFLTKR-PLNGDYQASA-N 2 2 291.399 0.565 20 0 CCADLP C[N@H+]1CCN(CCNC(=O)C=Cc2c[nH]c[nH+]2)CC1(C)C ZINC000492814156 529771346 /nfs/dbraw/zinc/77/13/46/529771346.db2.gz STEKMJOADFLTKR-PLNGDYQASA-N 2 2 291.399 0.565 20 0 CCADLP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358255946 529801356 /nfs/dbraw/zinc/80/13/56/529801356.db2.gz RCTVMZZACDEHDW-TZMCWYRMSA-N 2 2 264.373 0.454 20 0 CCADLP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358255946 529801357 /nfs/dbraw/zinc/80/13/57/529801357.db2.gz RCTVMZZACDEHDW-TZMCWYRMSA-N 2 2 264.373 0.454 20 0 CCADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC000425047902 529822754 /nfs/dbraw/zinc/82/27/54/529822754.db2.gz AHZYVWIAABHAAY-MELADBBJSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC000425047902 529822755 /nfs/dbraw/zinc/82/27/55/529822755.db2.gz AHZYVWIAABHAAY-MELADBBJSA-N 2 2 288.395 0.998 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000117022326 349879827 /nfs/dbraw/zinc/87/98/27/349879827.db2.gz LZJVDRRHYZOQFF-STQMWFEESA-N 2 2 295.387 0.244 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H](O)C1CCC1 ZINC000449886081 529903869 /nfs/dbraw/zinc/90/38/69/529903869.db2.gz GMDKPHKYECZVEZ-OAHLLOKOSA-N 2 2 297.443 0.632 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H](O)C1CCC1 ZINC000449886081 529903870 /nfs/dbraw/zinc/90/38/70/529903870.db2.gz GMDKPHKYECZVEZ-OAHLLOKOSA-N 2 2 297.443 0.632 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000423746389 529911441 /nfs/dbraw/zinc/91/14/41/529911441.db2.gz RDKOQCHDIWIFRN-KKUMJFAQSA-N 2 2 295.427 0.698 20 0 CCADLP NS(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000128159555 187354739 /nfs/dbraw/zinc/35/47/39/187354739.db2.gz FZYLQBHAACLVIB-NSHDSACASA-N 2 2 299.396 0.136 20 0 CCADLP NS(=O)(=O)c1ccc(OCC[N@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000128159555 187354740 /nfs/dbraw/zinc/35/47/40/187354740.db2.gz FZYLQBHAACLVIB-NSHDSACASA-N 2 2 299.396 0.136 20 0 CCADLP C[NH2+]C1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000422833138 529955846 /nfs/dbraw/zinc/95/58/46/529955846.db2.gz YOQLHUGIOIXXQX-HNNXBMFYSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH2+]C1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000422833138 529955848 /nfs/dbraw/zinc/95/58/48/529955848.db2.gz YOQLHUGIOIXXQX-HNNXBMFYSA-N 2 2 295.427 0.698 20 0 CCADLP CS[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1[NH+](C)C ZINC000573634957 334953978 /nfs/dbraw/zinc/95/39/78/334953978.db2.gz CMRAJOBXROREEQ-RYUDHWBXSA-N 2 2 282.413 0.467 20 0 CCADLP C[C@H](NC(=O)N1CC[NH2+]C(C)(C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000417519593 299108173 /nfs/dbraw/zinc/10/81/73/299108173.db2.gz MTCNDKYKZOETNQ-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841499 349908954 /nfs/dbraw/zinc/90/89/54/349908954.db2.gz ZZWRZKDLZAEYGV-VXGBXAGGSA-N 2 2 253.390 0.927 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841499 349908956 /nfs/dbraw/zinc/90/89/56/349908956.db2.gz ZZWRZKDLZAEYGV-VXGBXAGGSA-N 2 2 253.390 0.927 20 0 CCADLP C[C@H](C(=O)NC1CC1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841499 349908958 /nfs/dbraw/zinc/90/89/58/349908958.db2.gz ZZWRZKDLZAEYGV-VXGBXAGGSA-N 2 2 253.390 0.927 20 0 CCADLP C[C@H](C(=O)NC1CC1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841499 349908960 /nfs/dbraw/zinc/90/89/60/349908960.db2.gz ZZWRZKDLZAEYGV-VXGBXAGGSA-N 2 2 253.390 0.927 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843227 349909326 /nfs/dbraw/zinc/90/93/26/349909326.db2.gz VZXHTMWMNMYPKS-NWDGAFQWSA-N 2 2 284.404 0.494 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843227 349909330 /nfs/dbraw/zinc/90/93/30/349909330.db2.gz VZXHTMWMNMYPKS-NWDGAFQWSA-N 2 2 284.404 0.494 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843227 349909332 /nfs/dbraw/zinc/90/93/32/349909332.db2.gz VZXHTMWMNMYPKS-NWDGAFQWSA-N 2 2 284.404 0.494 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843227 349909335 /nfs/dbraw/zinc/90/93/35/349909335.db2.gz VZXHTMWMNMYPKS-NWDGAFQWSA-N 2 2 284.404 0.494 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000417926493 529983743 /nfs/dbraw/zinc/98/37/43/529983743.db2.gz ORZKWSIRRIGFOI-CHWSQXEVSA-N 2 2 291.399 0.815 20 0 CCADLP CN1CC[N@H+](C)[C@H](CNC(=O)C[C@H]2CCC[NH2+]CC2)C1 ZINC000427292897 530071013 /nfs/dbraw/zinc/07/10/13/530071013.db2.gz VSTCOESMUBAKIK-UONOGXRCSA-N 2 2 282.432 0.128 20 0 CCADLP CN1CC[N@@H+](C)[C@H](CNC(=O)C[C@H]2CCC[NH2+]CC2)C1 ZINC000427292897 530071014 /nfs/dbraw/zinc/07/10/14/530071014.db2.gz VSTCOESMUBAKIK-UONOGXRCSA-N 2 2 282.432 0.128 20 0 CCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)NCC[NH+]1CCOCC1 ZINC000355502583 232042276 /nfs/dbraw/zinc/04/22/76/232042276.db2.gz ICJSJMIOFAGNLT-ZDUSSCGKSA-N 2 2 284.404 0.054 20 0 CCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)NCC[NH+]1CCOCC1 ZINC000355502583 232042280 /nfs/dbraw/zinc/04/22/80/232042280.db2.gz ICJSJMIOFAGNLT-ZDUSSCGKSA-N 2 2 284.404 0.054 20 0 CCADLP OC[C@H](O)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000361425851 232127005 /nfs/dbraw/zinc/12/70/05/232127005.db2.gz JMZJGAWJSCWPDG-SNVBAGLBSA-N 2 2 270.295 0.346 20 0 CCADLP COC(C)(C)C[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000573677126 334956806 /nfs/dbraw/zinc/95/68/06/334956806.db2.gz SYKZPACHTPPRKY-UPJWGTAASA-N 2 2 274.405 0.471 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655241925 412519265 /nfs/dbraw/zinc/51/92/65/412519265.db2.gz UOOQWIUKVVDTQZ-UPJWGTAASA-N 2 2 280.372 0.497 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655241925 412519268 /nfs/dbraw/zinc/51/92/68/412519268.db2.gz UOOQWIUKVVDTQZ-UPJWGTAASA-N 2 2 280.372 0.497 20 0 CCADLP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000357104337 534987558 /nfs/dbraw/zinc/98/75/58/534987558.db2.gz VDFHQOWVCWNDKJ-LSDHHAIUSA-N 2 2 297.443 0.896 20 0 CCADLP CC(C)N(C)C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000357104337 534987561 /nfs/dbraw/zinc/98/75/61/534987561.db2.gz VDFHQOWVCWNDKJ-LSDHHAIUSA-N 2 2 297.443 0.896 20 0 CCADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000655246834 412521428 /nfs/dbraw/zinc/52/14/28/412521428.db2.gz NCLZWYJLJBYRIZ-UPJWGTAASA-N 2 2 276.384 0.902 20 0 CCADLP COC(=O)c1[nH]c(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1C ZINC000602532590 362661939 /nfs/dbraw/zinc/66/19/39/362661939.db2.gz ZSNKLUHMNIGANQ-ZDUSSCGKSA-N 2 2 295.383 0.656 20 0 CCADLP C[C@H](CC[S@@](C)=O)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000602571742 362686052 /nfs/dbraw/zinc/68/60/52/362686052.db2.gz XJHCUAHXYFWOMU-CWTRNNRKSA-N 2 2 290.473 0.968 20 0 CCADLP C[C@H](C[S@](C)=O)[N@H+](C)C1CC[NH+](CC(C)(C)O)CC1 ZINC000602616510 362714768 /nfs/dbraw/zinc/71/47/68/362714768.db2.gz VISNZDSEEPPRCA-BLVKFPJESA-N 2 2 290.473 0.921 20 0 CCADLP C[C@H](C[S@](C)=O)[N@@H+](C)C1CC[NH+](CC(C)(C)O)CC1 ZINC000602616510 362714772 /nfs/dbraw/zinc/71/47/72/362714772.db2.gz VISNZDSEEPPRCA-BLVKFPJESA-N 2 2 290.473 0.921 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000339225384 215022627 /nfs/dbraw/zinc/02/26/27/215022627.db2.gz NYHJZAWEMYVWBT-GFCCVEGCSA-N 2 2 266.345 0.444 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000339225384 215022631 /nfs/dbraw/zinc/02/26/31/215022631.db2.gz NYHJZAWEMYVWBT-GFCCVEGCSA-N 2 2 266.345 0.444 20 0 CCADLP C[C@@H](CNC(=O)[C@@]1(C)CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000119968991 349963468 /nfs/dbraw/zinc/96/34/68/349963468.db2.gz BFLHKFIEZRFEKU-JSGCOSHPSA-N 2 2 269.389 0.213 20 0 CCADLP O[C@H]1CCC[C@@H]1[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000631740795 370651710 /nfs/dbraw/zinc/65/17/10/370651710.db2.gz ICJSIJQGWYKUIR-HOTGVXAUSA-N 2 2 297.443 0.286 20 0 CCADLP O[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000631740795 370651717 /nfs/dbraw/zinc/65/17/17/370651717.db2.gz ICJSIJQGWYKUIR-HOTGVXAUSA-N 2 2 297.443 0.286 20 0 CCADLP c1ncc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)s1 ZINC000257750271 137005521 /nfs/dbraw/zinc/00/55/21/137005521.db2.gz UOZPONRCRYEKJN-NSHDSACASA-N 2 2 252.387 0.623 20 0 CCADLP c1ncc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)s1 ZINC000257750270 137005922 /nfs/dbraw/zinc/00/59/22/137005922.db2.gz UOZPONRCRYEKJN-LLVKDONJSA-N 2 2 252.387 0.623 20 0 CCADLP c1c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc2ncccn12 ZINC000261610968 137012423 /nfs/dbraw/zinc/01/24/23/137012423.db2.gz SKMPROOMGLKQFB-VXGBXAGGSA-N 2 2 257.341 0.771 20 0 CCADLP c1c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc2ncccn12 ZINC000261610968 137012424 /nfs/dbraw/zinc/01/24/24/137012424.db2.gz SKMPROOMGLKQFB-VXGBXAGGSA-N 2 2 257.341 0.771 20 0 CCADLP C[NH2+]CCC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000262366575 137040790 /nfs/dbraw/zinc/04/07/90/137040790.db2.gz LBJKPCFJCMJYBR-UHFFFAOYSA-N 2 2 278.356 0.144 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000262652707 137049042 /nfs/dbraw/zinc/04/90/42/137049042.db2.gz AZZGRDQTCHBLPA-NSHDSACASA-N 2 2 266.345 0.144 20 0 CCADLP C[NH+]1CCC(CNC(=O)CCC[NH3+])([NH+]2CCCCC2)CC1 ZINC000262662546 137049610 /nfs/dbraw/zinc/04/96/10/137049610.db2.gz YZIUEIGRFHRWCO-UHFFFAOYSA-N 3 2 296.459 0.792 20 0 CCADLP C[NH+]1CCC(CNC(=O)C2([NH3+])CC2)([NH+]2CCCCC2)CC1 ZINC000262702435 137050943 /nfs/dbraw/zinc/05/09/43/137050943.db2.gz JODPYDHRXNPIOT-UHFFFAOYSA-N 3 2 294.443 0.544 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+])[NH+]1CCN(C)CC1 ZINC000263084648 137057937 /nfs/dbraw/zinc/05/79/37/137057937.db2.gz XVQMSILCQOHBTP-YCPHGPKFSA-N 2 2 296.459 0.646 20 0 CCADLP C[C@@]1(CN2CC[NH+](CC(=O)N3CCCC3)CC2)CC[NH2+]C1 ZINC000261693651 137015758 /nfs/dbraw/zinc/01/57/58/137015758.db2.gz BPZYFCJNMCIRAR-MRXNPFEDSA-N 2 2 294.443 0.226 20 0 CCADLP O=c1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)nc2sccn21 ZINC000261703312 137016212 /nfs/dbraw/zinc/01/62/12/137016212.db2.gz IQEPVLKPDXCBQD-WDEREUQCSA-N 2 2 290.392 0.797 20 0 CCADLP O=c1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)nc2sccn21 ZINC000261703312 137016213 /nfs/dbraw/zinc/01/62/13/137016213.db2.gz IQEPVLKPDXCBQD-WDEREUQCSA-N 2 2 290.392 0.797 20 0 CCADLP C[C@H]([NH3+])CC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000261747485 137018057 /nfs/dbraw/zinc/01/80/57/137018057.db2.gz HBHNXRJSHDDPDT-ZFWWWQNUSA-N 2 2 291.395 0.913 20 0 CCADLP CC[N@@H+]1CCO[C@@H](c2nc(C[C@H](C)[NH2+]C)no2)C1 ZINC000261761241 137018506 /nfs/dbraw/zinc/01/85/06/137018506.db2.gz MKKUKRRZOYUHGU-VHSXEESVSA-N 2 2 254.334 0.613 20 0 CCADLP CC[N@H+]1CCO[C@@H](c2nc(C[C@H](C)[NH2+]C)no2)C1 ZINC000261761241 137018507 /nfs/dbraw/zinc/01/85/07/137018507.db2.gz MKKUKRRZOYUHGU-VHSXEESVSA-N 2 2 254.334 0.613 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000261850211 137022617 /nfs/dbraw/zinc/02/26/17/137022617.db2.gz VRKFXZLLFIBTEU-DZGCQCFKSA-N 3 2 296.459 0.646 20 0 CCADLP C[C@@H]([NH3+])CC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000261936547 137026547 /nfs/dbraw/zinc/02/65/47/137026547.db2.gz ZOEUEKKWQGSLET-SNVBAGLBSA-N 2 2 250.346 0.615 20 0 CCADLP Cc1nc(C)n(C[C@H]2C[N@H+](C[C@H]3CCC[NH2+]C3)CCO2)n1 ZINC000262003647 137027830 /nfs/dbraw/zinc/02/78/30/137027830.db2.gz UHRZHRIICMUWED-LSDHHAIUSA-N 2 2 293.415 0.595 20 0 CCADLP Cc1nc(C)n(C[C@H]2C[N@@H+](C[C@H]3CCC[NH2+]C3)CCO2)n1 ZINC000262003647 137027831 /nfs/dbraw/zinc/02/78/31/137027831.db2.gz UHRZHRIICMUWED-LSDHHAIUSA-N 2 2 293.415 0.595 20 0 CCADLP COC[C@H]([NH3+])C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000262327188 137038459 /nfs/dbraw/zinc/03/84/59/137038459.db2.gz RETXBWQQDPRQFW-NSHDSACASA-N 2 2 294.355 0.139 20 0 CCADLP O=C(NCC[NH+]1CCSCC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263272273 137062432 /nfs/dbraw/zinc/06/24/32/137062432.db2.gz SKILQDCWBDBUKA-VIFPVBQESA-N 2 2 279.356 0.149 20 0 CCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)C1([NH3+])CCCCC1 ZINC000263285147 137063098 /nfs/dbraw/zinc/06/30/98/137063098.db2.gz UDISLRSFPMRXCC-ZDUSSCGKSA-N 2 2 282.432 0.400 20 0 CCADLP COC1(C(=O)NCCCn2cc[nH+]c2)CC[NH2+]CC1 ZINC000311466065 137074604 /nfs/dbraw/zinc/07/46/04/137074604.db2.gz PQBLLEYRFGWFHZ-UHFFFAOYSA-N 2 2 266.345 0.158 20 0 CCADLP CCN(C(=O)C[N@H+](C)C[C@@H](O)C[NH3+])C1CCCCC1 ZINC000312101835 137076529 /nfs/dbraw/zinc/07/65/29/137076529.db2.gz UXZZYYKENQRMPQ-ZDUSSCGKSA-N 2 2 271.405 0.419 20 0 CCADLP CCN(C(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])C1CCCCC1 ZINC000312101835 137076530 /nfs/dbraw/zinc/07/65/30/137076530.db2.gz UXZZYYKENQRMPQ-ZDUSSCGKSA-N 2 2 271.405 0.419 20 0 CCADLP Cn1cc(C[NH+]2CCN(C(=O)[C@H]3CCC[NH2+]C3)CC2)cn1 ZINC000343509343 137139299 /nfs/dbraw/zinc/13/92/99/137139299.db2.gz IGQZWOACXISJIJ-AWEZNQCLSA-N 2 2 291.399 0.064 20 0 CCADLP CNS(=O)(=O)c1cccc(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000343641797 137147202 /nfs/dbraw/zinc/14/72/02/137147202.db2.gz OTEIBUGQTJASSU-FZMZJTMJSA-N 2 2 297.424 0.634 20 0 CCADLP CNS(=O)(=O)c1cccc(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000343641797 137147203 /nfs/dbraw/zinc/14/72/03/137147203.db2.gz OTEIBUGQTJASSU-FZMZJTMJSA-N 2 2 297.424 0.634 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000343296456 137125900 /nfs/dbraw/zinc/12/59/00/137125900.db2.gz YVURPDRGUSBOCO-DZGCQCFKSA-N 3 2 268.449 0.552 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000343296456 137125901 /nfs/dbraw/zinc/12/59/01/137125901.db2.gz YVURPDRGUSBOCO-DZGCQCFKSA-N 3 2 268.449 0.552 20 0 CCADLP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC000684432740 545668322 /nfs/dbraw/zinc/66/83/22/545668322.db2.gz LRMLMKUOOQHIKJ-DZGCQCFKSA-N 2 2 295.427 0.840 20 0 CCADLP C[N@H+]1CCC[C@H](NC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC000684432740 545668325 /nfs/dbraw/zinc/66/83/25/545668325.db2.gz LRMLMKUOOQHIKJ-DZGCQCFKSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC[C@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000684432740 545668329 /nfs/dbraw/zinc/66/83/29/545668329.db2.gz LRMLMKUOOQHIKJ-DZGCQCFKSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC[C@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000684432740 545668334 /nfs/dbraw/zinc/66/83/34/545668334.db2.gz LRMLMKUOOQHIKJ-DZGCQCFKSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@H]1C[C@H](C(=O)NCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000344179477 137181860 /nfs/dbraw/zinc/18/18/60/137181860.db2.gz FSHGTSFXJRBZHH-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H]1C[C@H](C(=O)NCC[NH+]2CCOCC2)CC[N@H+]1C ZINC000344179477 137181861 /nfs/dbraw/zinc/18/18/61/137181861.db2.gz FSHGTSFXJRBZHH-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H](CNC(=O)[C@H]1[NH2+]CCO[C@H]1C)Cn1cc[nH+]c1 ZINC000344480378 137196467 /nfs/dbraw/zinc/19/64/67/137196467.db2.gz GWJDEHAPKKYPNY-WOPDTQHZSA-N 2 2 266.345 0.012 20 0 CCADLP COCC[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC000684434151 545669143 /nfs/dbraw/zinc/66/91/43/545669143.db2.gz GLPHKGAYDOKQSP-ZDUSSCGKSA-N 2 2 294.399 0.580 20 0 CCADLP COCC[N@H+]1CCC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC000684434151 545669148 /nfs/dbraw/zinc/66/91/48/545669148.db2.gz GLPHKGAYDOKQSP-ZDUSSCGKSA-N 2 2 294.399 0.580 20 0 CCADLP [NH3+]CCC[N@@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000037038044 348182253 /nfs/dbraw/zinc/18/22/53/348182253.db2.gz QMJFFVWIFFDZCU-UHFFFAOYSA-N 2 2 297.424 0.732 20 0 CCADLP [NH3+]CCC[N@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000037038044 348182256 /nfs/dbraw/zinc/18/22/56/348182256.db2.gz QMJFFVWIFFDZCU-UHFFFAOYSA-N 2 2 297.424 0.732 20 0 CCADLP [NH3+]CCN1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000037039574 348182636 /nfs/dbraw/zinc/18/26/36/348182636.db2.gz YLUNQJNXWQANPW-UHFFFAOYSA-N 2 2 259.357 0.411 20 0 CCADLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)N3CCOCC3)C2)C1 ZINC000339427774 215162924 /nfs/dbraw/zinc/16/29/24/215162924.db2.gz BFIXTWDBXDXILB-HNNXBMFYSA-N 2 2 281.400 0.263 20 0 CCADLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)N3CCOCC3)C2)C1 ZINC000339427774 215162926 /nfs/dbraw/zinc/16/29/26/215162926.db2.gz BFIXTWDBXDXILB-HNNXBMFYSA-N 2 2 281.400 0.263 20 0 CCADLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)N3CCOCC3)C2)C1 ZINC000339427774 215162928 /nfs/dbraw/zinc/16/29/28/215162928.db2.gz BFIXTWDBXDXILB-HNNXBMFYSA-N 2 2 281.400 0.263 20 0 CCADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)N3CCOCC3)C2)C1 ZINC000339427774 215162930 /nfs/dbraw/zinc/16/29/30/215162930.db2.gz BFIXTWDBXDXILB-HNNXBMFYSA-N 2 2 281.400 0.263 20 0 CCADLP CC(C)(CNC(=O)C[C@@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000042171233 348268448 /nfs/dbraw/zinc/26/84/48/348268448.db2.gz ZIIYLGIDWYXNEJ-LBPRGKRZSA-N 2 2 269.389 0.356 20 0 CCADLP CCC[NH+]1CCC([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000042341560 348275193 /nfs/dbraw/zinc/27/51/93/348275193.db2.gz VXYFVIJUOQACOI-HNNXBMFYSA-N 3 2 269.433 0.907 20 0 CCADLP CC(=O)[C@H](NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1)C(C)C ZINC000042395432 348278220 /nfs/dbraw/zinc/27/82/20/348278220.db2.gz FBPMQWLTEAALTD-MRXNPFEDSA-N 2 2 297.443 0.990 20 0 CCADLP CC[C@H](C(=O)N[C@H](C)C[NH+]1CCOCC1)[NH+](CC)CC ZINC000345789622 137253341 /nfs/dbraw/zinc/25/33/41/137253341.db2.gz DOCUYYSDJLWKSH-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)CC1 ZINC000339441085 215173936 /nfs/dbraw/zinc/17/39/36/215173936.db2.gz NVHHGWRLHGQDOQ-MRXNPFEDSA-N 3 2 294.443 0.178 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)CC1 ZINC000339441085 215173940 /nfs/dbraw/zinc/17/39/40/215173940.db2.gz NVHHGWRLHGQDOQ-MRXNPFEDSA-N 3 2 294.443 0.178 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000339441085 215173941 /nfs/dbraw/zinc/17/39/41/215173941.db2.gz NVHHGWRLHGQDOQ-MRXNPFEDSA-N 3 2 294.443 0.178 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000339441085 215173945 /nfs/dbraw/zinc/17/39/45/215173945.db2.gz NVHHGWRLHGQDOQ-MRXNPFEDSA-N 3 2 294.443 0.178 20 0 CCADLP CC(C)[C@@H](C[NH3+])C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000044806188 348326486 /nfs/dbraw/zinc/32/64/86/348326486.db2.gz DYYPKZZOTXGGNG-VXGBXAGGSA-N 2 2 257.378 0.054 20 0 CCADLP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000346819546 137306351 /nfs/dbraw/zinc/30/63/51/137306351.db2.gz JDDCRUUAISGMIF-GFCCVEGCSA-N 2 2 271.405 0.602 20 0 CCADLP Cn1cc[nH+]c1CN1CCN(CC(C)(C)[NH3+])CC1 ZINC000346838387 137307774 /nfs/dbraw/zinc/30/77/74/137307774.db2.gz XFHXNQTUMOYZMW-UHFFFAOYSA-N 2 2 251.378 0.275 20 0 CCADLP Cc1cnn(C[C@H]2C[N@H+](C[C@H]3CCC[NH2+]C3)CCO2)c1 ZINC000346847605 137307997 /nfs/dbraw/zinc/30/79/97/137307997.db2.gz DHKBJSZVRWUZBQ-LSDHHAIUSA-N 2 2 278.400 0.892 20 0 CCADLP Cc1cnn(C[C@H]2C[N@@H+](C[C@H]3CCC[NH2+]C3)CCO2)c1 ZINC000346847605 137307998 /nfs/dbraw/zinc/30/79/98/137307998.db2.gz DHKBJSZVRWUZBQ-LSDHHAIUSA-N 2 2 278.400 0.892 20 0 CCADLP c1cnn(C[C@@H]2C[N@H+](C[C@H]3CCC[NH2+]C3)CCO2)c1 ZINC000346848861 137308351 /nfs/dbraw/zinc/30/83/51/137308351.db2.gz OKIUDFLEUWBPGE-KBPBESRZSA-N 2 2 264.373 0.584 20 0 CCADLP c1cnn(C[C@@H]2C[N@@H+](C[C@H]3CCC[NH2+]C3)CCO2)c1 ZINC000346848861 137308352 /nfs/dbraw/zinc/30/83/52/137308352.db2.gz OKIUDFLEUWBPGE-KBPBESRZSA-N 2 2 264.373 0.584 20 0 CCADLP O=C(C1CC[NH+](CC(F)F)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000335599940 212313163 /nfs/dbraw/zinc/31/31/63/212313163.db2.gz YNISWZFMRGCQDL-NEPJUHHUSA-N 2 2 287.354 0.784 20 0 CCADLP [NH3+]CCCC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000347478154 137338757 /nfs/dbraw/zinc/33/87/57/137338757.db2.gz OFRMDZDRIRDATA-UHFFFAOYSA-N 2 2 278.356 0.273 20 0 CCADLP CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@H]1C[NH+]2CCC1CC2 ZINC000349380743 137392850 /nfs/dbraw/zinc/39/28/50/137392850.db2.gz GRWRAURIBWSVPJ-ZFWWWQNUSA-N 2 2 288.395 0.998 20 0 CCADLP CCOC(=O)[C@@H]([NH2+]CCn1cc[nH+]c1)[C@H]1CCCOC1 ZINC000347600019 137345103 /nfs/dbraw/zinc/34/51/03/137345103.db2.gz ZGBXPTTWEHXRNT-STQMWFEESA-N 2 2 281.356 0.831 20 0 CCADLP COC[C@](C)([NH3+])CNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000347855249 137360866 /nfs/dbraw/zinc/36/08/66/137360866.db2.gz BXAKDZYPVPRLQB-CYBMUJFWSA-N 2 2 282.392 0.259 20 0 CCADLP CCC[N@H+](CC)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000348867669 137379441 /nfs/dbraw/zinc/37/94/41/137379441.db2.gz PUWGLHCQKCIMNL-UHFFFAOYSA-N 2 2 285.432 0.945 20 0 CCADLP CCC[N@@H+](CC)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000348867669 137379442 /nfs/dbraw/zinc/37/94/42/137379442.db2.gz PUWGLHCQKCIMNL-UHFFFAOYSA-N 2 2 285.432 0.945 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](CCCCn2cc[nH+]c2C)CCO1 ZINC000120638204 349997813 /nfs/dbraw/zinc/99/78/13/349997813.db2.gz OXLUNGAIOIZHMB-ZDUSSCGKSA-N 2 2 281.356 0.846 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](CCCCn2cc[nH+]c2C)CCO1 ZINC000120638204 349997814 /nfs/dbraw/zinc/99/78/14/349997814.db2.gz OXLUNGAIOIZHMB-ZDUSSCGKSA-N 2 2 281.356 0.846 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](CO)c2ccccc2)CC1 ZINC000063003111 348675387 /nfs/dbraw/zinc/67/53/87/348675387.db2.gz HEJXVARQNKBAOS-CQSZACIVSA-N 2 2 277.368 0.084 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063190344 348682461 /nfs/dbraw/zinc/68/24/61/348682461.db2.gz DYQLKISUACKJJB-GJZGRUSLSA-N 2 2 267.417 0.925 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cc(F)ccc2F)CC1 ZINC000070165398 348875778 /nfs/dbraw/zinc/87/57/78/348875778.db2.gz GOMRXUPBATXRGH-UHFFFAOYSA-N 2 2 283.322 0.828 20 0 CCADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000072860866 348936680 /nfs/dbraw/zinc/93/66/80/348936680.db2.gz BLZQWVMNUMENDF-ZNMIVQPWSA-N 2 2 297.443 0.896 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000072860866 348936681 /nfs/dbraw/zinc/93/66/81/348936681.db2.gz BLZQWVMNUMENDF-ZNMIVQPWSA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000072860866 348936684 /nfs/dbraw/zinc/93/66/84/348936684.db2.gz BLZQWVMNUMENDF-ZNMIVQPWSA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000072860866 348936686 /nfs/dbraw/zinc/93/66/86/348936686.db2.gz BLZQWVMNUMENDF-ZNMIVQPWSA-N 2 2 297.443 0.896 20 0 CCADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NCCCOC)C1 ZINC000072859312 348936740 /nfs/dbraw/zinc/93/67/40/348936740.db2.gz UPIKAQSKMZHHQM-UONOGXRCSA-N 2 2 285.432 0.801 20 0 CCADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NCCCOC)C1 ZINC000072859312 348936743 /nfs/dbraw/zinc/93/67/43/348936743.db2.gz UPIKAQSKMZHHQM-UONOGXRCSA-N 2 2 285.432 0.801 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NCCCOC)C1 ZINC000072859312 348936745 /nfs/dbraw/zinc/93/67/45/348936745.db2.gz UPIKAQSKMZHHQM-UONOGXRCSA-N 2 2 285.432 0.801 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)NCCCOC)C1 ZINC000072859312 348936747 /nfs/dbraw/zinc/93/67/47/348936747.db2.gz UPIKAQSKMZHHQM-UONOGXRCSA-N 2 2 285.432 0.801 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000071146748 348904609 /nfs/dbraw/zinc/90/46/09/348904609.db2.gz GUYBDYPMFARJOR-NSHDSACASA-N 2 2 270.377 0.154 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000071146748 348904615 /nfs/dbraw/zinc/90/46/15/348904615.db2.gz GUYBDYPMFARJOR-NSHDSACASA-N 2 2 270.377 0.154 20 0 CCADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Cn1cc[nH+]c1 ZINC000073728626 348960027 /nfs/dbraw/zinc/96/00/27/348960027.db2.gz DUIKXJQOOIHHAB-LBPRGKRZSA-N 2 2 250.346 0.683 20 0 CCADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Cn1cc[nH+]c1 ZINC000073728626 348960030 /nfs/dbraw/zinc/96/00/30/348960030.db2.gz DUIKXJQOOIHHAB-LBPRGKRZSA-N 2 2 250.346 0.683 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000076003720 349063250 /nfs/dbraw/zinc/06/32/50/349063250.db2.gz BNPIWXIWPIJBEX-AWEZNQCLSA-N 2 2 283.416 0.509 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000076003720 349063251 /nfs/dbraw/zinc/06/32/51/349063251.db2.gz BNPIWXIWPIJBEX-AWEZNQCLSA-N 2 2 283.416 0.509 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)NC2CCOCC2)C1 ZINC000076004335 349063546 /nfs/dbraw/zinc/06/35/46/349063546.db2.gz DSNMGRXGYRLDHH-CQSZACIVSA-N 2 2 297.443 0.945 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)NC2CCOCC2)C1 ZINC000076004335 349063552 /nfs/dbraw/zinc/06/35/52/349063552.db2.gz DSNMGRXGYRLDHH-CQSZACIVSA-N 2 2 297.443 0.945 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCCCC[NH2+]1 ZINC000081007831 349238953 /nfs/dbraw/zinc/23/89/53/349238953.db2.gz WKDFYHRNMLKAND-QWHCGFSZSA-N 2 2 269.389 0.356 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCCCC[NH2+]1 ZINC000081007836 349239264 /nfs/dbraw/zinc/23/92/64/349239264.db2.gz WKDFYHRNMLKAND-CHWSQXEVSA-N 2 2 269.389 0.356 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)c1cccs1 ZINC000080981201 349237227 /nfs/dbraw/zinc/23/72/27/349237227.db2.gz RAVNLDPICQYMIQ-RYUDHWBXSA-N 2 2 297.424 0.798 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)c1cccs1 ZINC000080981201 349237230 /nfs/dbraw/zinc/23/72/30/349237230.db2.gz RAVNLDPICQYMIQ-RYUDHWBXSA-N 2 2 297.424 0.798 20 0 CCADLP CC[NH+](CC)CC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000081798943 349283899 /nfs/dbraw/zinc/28/38/99/349283899.db2.gz GGOTZYUZILYYHW-GFCCVEGCSA-N 2 2 252.362 0.977 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000081797959 349283954 /nfs/dbraw/zinc/28/39/54/349283954.db2.gz PPWCXINYLBYYOE-LBPRGKRZSA-N 2 2 252.362 0.976 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000081797959 349283959 /nfs/dbraw/zinc/28/39/59/349283959.db2.gz PPWCXINYLBYYOE-LBPRGKRZSA-N 2 2 252.362 0.976 20 0 CCADLP CC[NH+](CC)CCC[NH2+][C@@H](C)CS(C)(=O)=O ZINC000081898840 349287299 /nfs/dbraw/zinc/28/72/99/349287299.db2.gz ZVQNBEDYLGDLGD-NSHDSACASA-N 2 2 250.408 0.741 20 0 CCADLP [NH3+]C1(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CC1 ZINC000088130917 349357385 /nfs/dbraw/zinc/35/73/85/349357385.db2.gz LCYXMEOKVOBOAS-UHFFFAOYSA-N 2 2 276.340 0.026 20 0 CCADLP C[C@H](CC(=O)N(C)C)[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000090046842 349423391 /nfs/dbraw/zinc/42/33/91/349423391.db2.gz RZECWZQKQMEXAF-QWHCGFSZSA-N 2 2 271.405 0.554 20 0 CCADLP COC(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000123618657 350079139 /nfs/dbraw/zinc/07/91/39/350079139.db2.gz UNFZGKOEKRLGFV-NSHDSACASA-N 2 2 251.330 0.848 20 0 CCADLP COC(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000123618657 350079140 /nfs/dbraw/zinc/07/91/40/350079140.db2.gz UNFZGKOEKRLGFV-NSHDSACASA-N 2 2 251.330 0.848 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)N1CCOCC1 ZINC000123719302 350081406 /nfs/dbraw/zinc/08/14/06/350081406.db2.gz GODYLRKTAKKNHQ-GFCCVEGCSA-N 2 2 257.378 0.150 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)N1CCOCC1 ZINC000123719302 350081409 /nfs/dbraw/zinc/08/14/09/350081409.db2.gz GODYLRKTAKKNHQ-GFCCVEGCSA-N 2 2 257.378 0.150 20 0 CCADLP C[NH+](C)CCC1CC[NH+](Cc2nc(N)nc(N)n2)CC1 ZINC000121629765 350048651 /nfs/dbraw/zinc/04/86/51/350048651.db2.gz VUHHRQHIGSCSNO-UHFFFAOYSA-N 2 2 279.392 0.200 20 0 CCADLP C[C@H](Cn1cccn1)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000122740507 350068977 /nfs/dbraw/zinc/06/89/77/350068977.db2.gz LTGRTIRACVRVIJ-UONOGXRCSA-N 2 2 266.389 0.830 20 0 CCADLP CC[C@H]1C[N@H+](CC(=O)NC(=O)NC2CC2)CC[C@@H]1[NH3+] ZINC000122688133 350069281 /nfs/dbraw/zinc/06/92/81/350069281.db2.gz SDWWWCXSHZCMAN-ONGXEEELSA-N 2 2 268.361 0.034 20 0 CCADLP CC[C@H]1C[N@@H+](CC(=O)NC(=O)NC2CC2)CC[C@@H]1[NH3+] ZINC000122688133 350069282 /nfs/dbraw/zinc/06/92/82/350069282.db2.gz SDWWWCXSHZCMAN-ONGXEEELSA-N 2 2 268.361 0.034 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)CC1 ZINC000124450298 350098362 /nfs/dbraw/zinc/09/83/62/350098362.db2.gz IOSFFDZQPOIQMB-ZNMIVQPWSA-N 2 2 295.427 0.386 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)CC1 ZINC000124450298 350098364 /nfs/dbraw/zinc/09/83/64/350098364.db2.gz IOSFFDZQPOIQMB-ZNMIVQPWSA-N 2 2 295.427 0.386 20 0 CCADLP C[C@H]1CC[NH2+][C@@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000126094580 350137226 /nfs/dbraw/zinc/13/72/26/350137226.db2.gz DZJQZBJQCZFTAP-NWDGAFQWSA-N 2 2 250.346 0.778 20 0 CCADLP C[C@H](O)CNc1cc(NCC[N@@H+]2CCCC[C@H]2C)nc[nH+]1 ZINC000413060149 233319033 /nfs/dbraw/zinc/31/90/33/233319033.db2.gz MNHFHGADFPGUIO-OLZOCXBDSA-N 2 2 293.415 0.978 20 0 CCADLP C[C@H](O)CNc1cc(NCC[N@H+]2CCCC[C@H]2C)nc[nH+]1 ZINC000413060149 233319035 /nfs/dbraw/zinc/31/90/35/233319035.db2.gz MNHFHGADFPGUIO-OLZOCXBDSA-N 2 2 293.415 0.978 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000128426879 350192594 /nfs/dbraw/zinc/19/25/94/350192594.db2.gz UZVHSAWILDVDBO-STQMWFEESA-N 2 2 298.431 0.016 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000128426879 350192598 /nfs/dbraw/zinc/19/25/98/350192598.db2.gz UZVHSAWILDVDBO-STQMWFEESA-N 2 2 298.431 0.016 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)NCC[NH2+]C(C)(C)C ZINC000127984682 350182728 /nfs/dbraw/zinc/18/27/28/350182728.db2.gz NCLNQOBAUVEJIL-UHFFFAOYSA-N 2 2 294.355 0.533 20 0 CCADLP CC(C)C(=O)NCC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000128366513 350191925 /nfs/dbraw/zinc/19/19/25/350191925.db2.gz FQDMJYZVYJQEGE-RYUDHWBXSA-N 2 2 253.390 0.973 20 0 CCADLP CC(C)C(=O)NCC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000128366513 350191928 /nfs/dbraw/zinc/19/19/28/350191928.db2.gz FQDMJYZVYJQEGE-RYUDHWBXSA-N 2 2 253.390 0.973 20 0 CCADLP C[C@H](NC(=O)NC1CC[NH+](C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000105079661 186040734 /nfs/dbraw/zinc/04/07/34/186040734.db2.gz MQVWTOXSPKYPJB-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC1CC[NH+](C)CC1 ZINC000105130237 186043602 /nfs/dbraw/zinc/04/36/02/186043602.db2.gz RITOWWDWJKKDCE-CYBMUJFWSA-N 2 2 298.431 0.348 20 0 CCADLP CC[C@H](C(N)=O)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000104949826 186035311 /nfs/dbraw/zinc/03/53/11/186035311.db2.gz ONVPKSLCFGPIIY-QLFBSQMISA-N 2 2 296.459 0.741 20 0 CCADLP CC[C@H](C(N)=O)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000104949826 186035313 /nfs/dbraw/zinc/03/53/13/186035313.db2.gz ONVPKSLCFGPIIY-QLFBSQMISA-N 2 2 296.459 0.741 20 0 CCADLP CCOC(=O)CC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131254219 350270261 /nfs/dbraw/zinc/27/02/61/350270261.db2.gz WNNZRTPGAUKBJH-CYBMUJFWSA-N 2 2 297.399 0.354 20 0 CCADLP CCOC(=O)CC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131254219 350270263 /nfs/dbraw/zinc/27/02/63/350270263.db2.gz WNNZRTPGAUKBJH-CYBMUJFWSA-N 2 2 297.399 0.354 20 0 CCADLP OCC[N@H+](CCOCC(F)(F)F)CCn1cc[nH+]c1 ZINC000131314238 350271361 /nfs/dbraw/zinc/27/13/61/350271361.db2.gz SYXYBTITTCOXDP-UHFFFAOYSA-N 2 2 281.278 0.756 20 0 CCADLP COCCN1CC[N@H+](CCCn2cc[nH+]c2C)CC1=O ZINC000091833022 180267257 /nfs/dbraw/zinc/26/72/57/180267257.db2.gz OBEYGYULYVHHAP-UHFFFAOYSA-N 2 2 280.372 0.372 20 0 CCADLP COCCN1CC[N@@H+](CCCn2cc[nH+]c2C)CC1=O ZINC000091833022 180267258 /nfs/dbraw/zinc/26/72/58/180267258.db2.gz OBEYGYULYVHHAP-UHFFFAOYSA-N 2 2 280.372 0.372 20 0 CCADLP CCOC(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000131587180 350279638 /nfs/dbraw/zinc/27/96/38/350279638.db2.gz BGNWGWMUQSRZMW-CYBMUJFWSA-N 2 2 270.373 0.594 20 0 CCADLP CCOC(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000131587180 350279640 /nfs/dbraw/zinc/27/96/40/350279640.db2.gz BGNWGWMUQSRZMW-CYBMUJFWSA-N 2 2 270.373 0.594 20 0 CCADLP COc1cc(C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)ccn1 ZINC000133988474 350351058 /nfs/dbraw/zinc/35/10/58/350351058.db2.gz GJBWWHFQRSANME-YPMHNXCESA-N 2 2 265.357 0.947 20 0 CCADLP CC(C)(CNC(=O)CC[C@@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000134538110 350368424 /nfs/dbraw/zinc/36/84/24/350368424.db2.gz BLLNPVIFVGDHTC-CYBMUJFWSA-N 2 2 283.416 0.603 20 0 CCADLP COc1c(N)[nH+]cnc1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000134927993 350380106 /nfs/dbraw/zinc/38/01/06/350380106.db2.gz NVFQFJAGWPPXTC-RKDXNWHRSA-N 2 2 251.334 0.962 20 0 CCADLP COc1c(N)[nH+]cnc1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000134927993 350380107 /nfs/dbraw/zinc/38/01/07/350380107.db2.gz NVFQFJAGWPPXTC-RKDXNWHRSA-N 2 2 251.334 0.962 20 0 CCADLP COc1c(N)nc[nH+]c1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000134927993 350380109 /nfs/dbraw/zinc/38/01/09/350380109.db2.gz NVFQFJAGWPPXTC-RKDXNWHRSA-N 2 2 251.334 0.962 20 0 CCADLP COc1c(N)nc[nH+]c1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000134927993 350380110 /nfs/dbraw/zinc/38/01/10/350380110.db2.gz NVFQFJAGWPPXTC-RKDXNWHRSA-N 2 2 251.334 0.962 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000136202445 350418984 /nfs/dbraw/zinc/41/89/84/350418984.db2.gz CSQKILFMYDTCSY-YPMHNXCESA-N 2 2 250.346 0.920 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000139598355 350448150 /nfs/dbraw/zinc/44/81/50/350448150.db2.gz UVKJVLFWEALCBL-CYBMUJFWSA-N 2 2 270.336 0.783 20 0 CCADLP C[N@@H+](CC(=O)NC1CCOCC1)C[C@H]1CCC[NH+](C)C1 ZINC000152430387 350527978 /nfs/dbraw/zinc/52/79/78/350527978.db2.gz ATRNCKOAJKUJAG-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP C[N@H+](CC(=O)NC1CCOCC1)C[C@H]1CCC[NH+](C)C1 ZINC000152430387 350527980 /nfs/dbraw/zinc/52/79/80/350527980.db2.gz ATRNCKOAJKUJAG-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP C[NH+](CC(=O)NC1CCOCC1)C[C@H]1CCC[N@H+](C)C1 ZINC000152430387 350527985 /nfs/dbraw/zinc/52/79/85/350527985.db2.gz ATRNCKOAJKUJAG-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP C[NH+](CC(=O)NC1CCOCC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152430387 350527990 /nfs/dbraw/zinc/52/79/90/350527990.db2.gz ATRNCKOAJKUJAG-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP C[N@H+](CC(=O)NCCCn1cc[nH+]c1)[C@H]1CCSC1 ZINC000152985061 350548565 /nfs/dbraw/zinc/54/85/65/350548565.db2.gz PVAXNOAUBWGHLP-LBPRGKRZSA-N 2 2 282.413 0.827 20 0 CCADLP C[N@@H+](CC(=O)NCCCn1cc[nH+]c1)[C@H]1CCSC1 ZINC000152985061 350548570 /nfs/dbraw/zinc/54/85/70/350548570.db2.gz PVAXNOAUBWGHLP-LBPRGKRZSA-N 2 2 282.413 0.827 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)o2)CC[N@@H+]1C ZINC000157728241 350648905 /nfs/dbraw/zinc/64/89/05/350648905.db2.gz DKTAWINDRNOUMD-UWVGGRQHSA-N 2 2 287.385 0.499 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)o2)CC[N@H+]1C ZINC000157728241 350648907 /nfs/dbraw/zinc/64/89/07/350648907.db2.gz DKTAWINDRNOUMD-UWVGGRQHSA-N 2 2 287.385 0.499 20 0 CCADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000163962722 350775128 /nfs/dbraw/zinc/77/51/28/350775128.db2.gz ZAOJPJWLTLFXNE-RWMBFGLXSA-N 2 2 274.368 0.798 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)C2([NH3+])CCCCC2)CC1 ZINC000164473093 350779611 /nfs/dbraw/zinc/77/96/11/350779611.db2.gz AQYHMMIPYFXTFU-UHFFFAOYSA-N 2 2 283.416 0.829 20 0 CCADLP CSCC[C@H]([NH3+])C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000165582125 350791817 /nfs/dbraw/zinc/79/18/17/350791817.db2.gz BLKHJLARPZIBJU-QWRGUYRKSA-N 2 2 270.402 0.716 20 0 CCADLP CSCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000167686094 350813018 /nfs/dbraw/zinc/81/30/18/350813018.db2.gz DOVACTUHMMDUPM-TUAOUCFPSA-N 2 2 289.445 0.292 20 0 CCADLP COC(=O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000171306380 350900432 /nfs/dbraw/zinc/90/04/32/350900432.db2.gz HONNCAJKTMOCNQ-CHWSQXEVSA-N 2 2 284.400 0.981 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000173882197 351059893 /nfs/dbraw/zinc/05/98/93/351059893.db2.gz QFLBXYFNTOFQIL-LBPRGKRZSA-N 2 2 265.361 0.667 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000173882197 351059894 /nfs/dbraw/zinc/05/98/94/351059894.db2.gz QFLBXYFNTOFQIL-LBPRGKRZSA-N 2 2 265.361 0.667 20 0 CCADLP CNC(=O)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000175784162 351143676 /nfs/dbraw/zinc/14/36/76/351143676.db2.gz GOLJIQYISAGXTF-UHFFFAOYSA-N 2 2 290.411 0.766 20 0 CCADLP CNC(=O)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000175784162 351143682 /nfs/dbraw/zinc/14/36/82/351143682.db2.gz GOLJIQYISAGXTF-UHFFFAOYSA-N 2 2 290.411 0.766 20 0 CCADLP CC(C)([NH3+])CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000178722871 351242584 /nfs/dbraw/zinc/24/25/84/351242584.db2.gz RNKFTWTZYUGDTN-LBPRGKRZSA-N 2 2 269.389 0.437 20 0 CCADLP CCC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000178744075 351243638 /nfs/dbraw/zinc/24/36/38/351243638.db2.gz WJRDVCADVBLRNC-NSHDSACASA-N 2 2 257.378 0.341 20 0 CCADLP CCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000178744075 351243643 /nfs/dbraw/zinc/24/36/43/351243643.db2.gz WJRDVCADVBLRNC-NSHDSACASA-N 2 2 257.378 0.341 20 0 CCADLP C[NH2+]CCCC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000178762805 351244284 /nfs/dbraw/zinc/24/42/84/351244284.db2.gz PRLSJWODHBYNMT-UHFFFAOYSA-N 2 2 257.378 0.213 20 0 CCADLP C[NH2+]CCCC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000178762805 351244289 /nfs/dbraw/zinc/24/42/89/351244289.db2.gz PRLSJWODHBYNMT-UHFFFAOYSA-N 2 2 257.378 0.213 20 0 CCADLP Cc1nc([C@H]2C[N@H+](CC3CC[NH2+]CC3)CCO2)n[nH]1 ZINC000178982328 351256661 /nfs/dbraw/zinc/25/66/61/351256661.db2.gz DCPQWPSFGHOFFN-GFCCVEGCSA-N 2 2 265.361 0.486 20 0 CCADLP Cc1nc([C@H]2C[N@@H+](CC3CC[NH2+]CC3)CCO2)n[nH]1 ZINC000178982328 351256663 /nfs/dbraw/zinc/25/66/63/351256663.db2.gz DCPQWPSFGHOFFN-GFCCVEGCSA-N 2 2 265.361 0.486 20 0 CCADLP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)N(C)C(C)C)CC1 ZINC000177461885 351204693 /nfs/dbraw/zinc/20/46/93/351204693.db2.gz MBZJZNWYDQPTCK-ZDUSSCGKSA-N 2 2 285.432 0.942 20 0 CCADLP CC[C@H]([NH2+]C1CC[NH+](CCOC(C)C)CC1)C(N)=O ZINC000177487876 351205903 /nfs/dbraw/zinc/20/59/03/351205903.db2.gz SQLUYVPIIBXILR-ZDUSSCGKSA-N 2 2 271.405 0.729 20 0 CCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Cc1c[nH+]cn1C ZINC000185706440 351454924 /nfs/dbraw/zinc/45/49/24/351454924.db2.gz NMELRTFUQSNLSG-CYBMUJFWSA-N 2 2 264.373 0.761 20 0 CCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Cc1c[nH+]cn1C ZINC000185706440 351454929 /nfs/dbraw/zinc/45/49/29/351454929.db2.gz NMELRTFUQSNLSG-CYBMUJFWSA-N 2 2 264.373 0.761 20 0 CCADLP COc1c(C)c[nH+]c(C[N@@H+]2C[C@@H](O)C[C@H]2CO)c1C ZINC000186517679 351499634 /nfs/dbraw/zinc/49/96/34/351499634.db2.gz OHSAPIDUXUJFFM-RYUDHWBXSA-N 2 2 266.341 0.635 20 0 CCADLP COc1c(C)c[nH+]c(C[N@H+]2C[C@@H](O)C[C@H]2CO)c1C ZINC000186517679 351499636 /nfs/dbraw/zinc/49/96/36/351499636.db2.gz OHSAPIDUXUJFFM-RYUDHWBXSA-N 2 2 266.341 0.635 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000186729567 351511001 /nfs/dbraw/zinc/51/10/01/351511001.db2.gz QAYJLKGUGYQBHT-DGCLKSJQSA-N 2 2 285.351 0.995 20 0 CCADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2[nH+]ccn2CC(C)C)C1 ZINC000187965849 351566805 /nfs/dbraw/zinc/56/68/05/351566805.db2.gz HHEYZZILSRMCAG-NWDGAFQWSA-N 2 2 280.372 0.532 20 0 CCADLP C[C@@H]1COCCN1CC[NH+]1CCC([NH+](C)C)CC1 ZINC000191436290 351757557 /nfs/dbraw/zinc/75/75/57/351757557.db2.gz HKPSCFUPZUDPQU-CYBMUJFWSA-N 2 2 255.406 0.733 20 0 CCADLP CC(C)(C[NH3+])C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000123079370 187069755 /nfs/dbraw/zinc/06/97/55/187069755.db2.gz ZTDOAUWIDJCIJS-UHFFFAOYSA-N 2 2 257.378 0.198 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123411707 187090536 /nfs/dbraw/zinc/09/05/36/187090536.db2.gz JRPUJPFDUYFYSH-CHWSQXEVSA-N 2 2 299.415 0.422 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123411707 187090537 /nfs/dbraw/zinc/09/05/37/187090537.db2.gz JRPUJPFDUYFYSH-CHWSQXEVSA-N 2 2 299.415 0.422 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123411707 187090538 /nfs/dbraw/zinc/09/05/38/187090538.db2.gz JRPUJPFDUYFYSH-CHWSQXEVSA-N 2 2 299.415 0.422 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123411707 187090539 /nfs/dbraw/zinc/09/05/39/187090539.db2.gz JRPUJPFDUYFYSH-CHWSQXEVSA-N 2 2 299.415 0.422 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000227372132 352048290 /nfs/dbraw/zinc/04/82/90/352048290.db2.gz ZATBSNFGJYPALZ-WDEREUQCSA-N 2 2 277.372 0.988 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000227372132 352048292 /nfs/dbraw/zinc/04/82/92/352048292.db2.gz ZATBSNFGJYPALZ-WDEREUQCSA-N 2 2 277.372 0.988 20 0 CCADLP COc1c(N)nc[nH+]c1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000227372132 352048297 /nfs/dbraw/zinc/04/82/97/352048297.db2.gz ZATBSNFGJYPALZ-WDEREUQCSA-N 2 2 277.372 0.988 20 0 CCADLP COc1c(N)nc[nH+]c1N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000227372132 352048300 /nfs/dbraw/zinc/04/83/00/352048300.db2.gz ZATBSNFGJYPALZ-WDEREUQCSA-N 2 2 277.372 0.988 20 0 CCADLP COc1ccccc1CCNC(=O)C[NH+]1CCC([NH3+])CC1 ZINC000226301860 352022211 /nfs/dbraw/zinc/02/22/11/352022211.db2.gz DUXPNAHTUSHOHS-UHFFFAOYSA-N 2 2 291.395 0.777 20 0 CCADLP Cc1nn(C)c(C)c1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000228724479 352083038 /nfs/dbraw/zinc/08/30/38/352083038.db2.gz DQHCACDEVMODMO-ZDUSSCGKSA-N 2 2 254.378 0.439 20 0 CCADLP C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000655411886 412561682 /nfs/dbraw/zinc/56/16/82/412561682.db2.gz ZCUCXGPCWJRYMV-CHWSQXEVSA-N 2 2 276.384 0.904 20 0 CCADLP COC(=O)c1cccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000234578837 352161838 /nfs/dbraw/zinc/16/18/38/352161838.db2.gz CFGKNRDXLMDRBD-QWRGUYRKSA-N 2 2 261.325 0.519 20 0 CCADLP CC(C)([NH3+])C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000236798765 352216133 /nfs/dbraw/zinc/21/61/33/352216133.db2.gz RYMBRYTVFWIQHZ-CYBMUJFWSA-N 2 2 287.429 0.048 20 0 CCADLP CCC[C@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000236805270 352217361 /nfs/dbraw/zinc/21/73/61/352217361.db2.gz RETCOUCPNBTKOW-STQMWFEESA-N 2 2 269.389 0.437 20 0 CCADLP CCC[C@H]([NH3+])C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000236884827 352223806 /nfs/dbraw/zinc/22/38/06/352223806.db2.gz ZMISCYBNZHFJNJ-ZDUSSCGKSA-N 2 2 292.383 0.662 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000236939342 352229305 /nfs/dbraw/zinc/22/93/05/352229305.db2.gz HFCWCEPKJVIMRY-RTXFEEFZSA-N 2 2 269.389 0.339 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000236939342 352229307 /nfs/dbraw/zinc/22/93/07/352229307.db2.gz HFCWCEPKJVIMRY-RTXFEEFZSA-N 2 2 269.389 0.339 20 0 CCADLP C[C@H](C(=O)Nc1ccc2[nH+]ccn2c1)N1CC[NH+](C)CC1 ZINC000603884099 363165149 /nfs/dbraw/zinc/16/51/49/363165149.db2.gz PKFHGPLNCSNDSW-GFCCVEGCSA-N 2 2 287.367 0.909 20 0 CCADLP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1[nH+]ccn1C ZINC000418120647 234011713 /nfs/dbraw/zinc/01/17/13/234011713.db2.gz WCYYLAQWSZYTPD-NWDGAFQWSA-N 2 2 252.362 0.307 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1[nH+]ccn1C ZINC000418120647 234011716 /nfs/dbraw/zinc/01/17/16/234011716.db2.gz WCYYLAQWSZYTPD-NWDGAFQWSA-N 2 2 252.362 0.307 20 0 CCADLP O=C(CN1CC[NH2+]CC1=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000238117371 352298796 /nfs/dbraw/zinc/29/87/96/352298796.db2.gz NTBPAELCTBTDHO-UHFFFAOYSA-N 2 2 299.334 0.243 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cn1C ZINC000240668100 352305217 /nfs/dbraw/zinc/30/52/17/352305217.db2.gz HMJJWRLUMSKHAQ-CYBMUJFWSA-N 2 2 295.383 0.358 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000333846486 297264422 /nfs/dbraw/zinc/26/44/22/297264422.db2.gz PFXQASMWTNEEOX-HZSPNIEDSA-N 2 2 296.415 0.243 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000245448408 352323244 /nfs/dbraw/zinc/32/32/44/352323244.db2.gz MVQKNAXLYYYKHT-RYUDHWBXSA-N 2 2 284.404 0.494 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000245448408 352323246 /nfs/dbraw/zinc/32/32/46/352323246.db2.gz MVQKNAXLYYYKHT-RYUDHWBXSA-N 2 2 284.404 0.494 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000245448408 352323248 /nfs/dbraw/zinc/32/32/48/352323248.db2.gz MVQKNAXLYYYKHT-RYUDHWBXSA-N 2 2 284.404 0.494 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000245448408 352323250 /nfs/dbraw/zinc/32/32/50/352323250.db2.gz MVQKNAXLYYYKHT-RYUDHWBXSA-N 2 2 284.404 0.494 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000245544546 352328895 /nfs/dbraw/zinc/32/88/95/352328895.db2.gz UQYUEABENUCBFO-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000245544546 352328896 /nfs/dbraw/zinc/32/88/96/352328896.db2.gz UQYUEABENUCBFO-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000248185197 352434395 /nfs/dbraw/zinc/43/43/95/352434395.db2.gz XFDOIOXTCPBCQH-QLFBSQMISA-N 3 2 268.449 0.695 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248185197 352434400 /nfs/dbraw/zinc/43/44/00/352434400.db2.gz XFDOIOXTCPBCQH-QLFBSQMISA-N 3 2 268.449 0.695 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000249319618 352486498 /nfs/dbraw/zinc/48/64/98/352486498.db2.gz PTRCMPJOBOKOAY-BARDWOONSA-N 2 2 295.427 0.744 20 0 CCADLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)N2CCNC2=O)CC1 ZINC000354594213 137582682 /nfs/dbraw/zinc/58/26/82/137582682.db2.gz FHYYYKKNDFNECZ-SNVBAGLBSA-N 2 2 268.361 0.001 20 0 CCADLP O=C(CC[C@@H]1CCC[NH2+]1)NCCCn1cc[nH+]c1 ZINC000292107119 198165410 /nfs/dbraw/zinc/16/54/10/198165410.db2.gz OZIVHTZLDGXWJT-LBPRGKRZSA-N 2 2 250.346 0.922 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@H]2CCOc3ccccc32)[C@H](C[NH3+])C1 ZINC000250368859 352504335 /nfs/dbraw/zinc/50/43/35/352504335.db2.gz HOVHAJLBNIAKIJ-OCCSQVGLSA-N 2 2 289.379 0.654 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]2CCOc3ccccc32)[C@H](C[NH3+])C1 ZINC000250368859 352504336 /nfs/dbraw/zinc/50/43/36/352504336.db2.gz HOVHAJLBNIAKIJ-OCCSQVGLSA-N 2 2 289.379 0.654 20 0 CCADLP C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000252453381 352514712 /nfs/dbraw/zinc/51/47/12/352514712.db2.gz IJNRSHUIMQTPCU-XJFOESAGSA-N 2 2 265.401 0.927 20 0 CCADLP C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252952408 352527175 /nfs/dbraw/zinc/52/71/75/352527175.db2.gz PQASESRYVPIOAX-HLTSFMKQSA-N 2 2 267.295 0.723 20 0 CCADLP C[C@H](C(=O)NCC(F)(F)F)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252952408 352527176 /nfs/dbraw/zinc/52/71/76/352527176.db2.gz PQASESRYVPIOAX-HLTSFMKQSA-N 2 2 267.295 0.723 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NC(=O)NC2CCCC2)C[C@H]1C[NH3+] ZINC000253181998 352528621 /nfs/dbraw/zinc/52/86/21/352528621.db2.gz FNTGHDWEYQRLBU-VXGBXAGGSA-N 2 2 296.415 0.672 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC2CCCC2)C[C@H]1C[NH3+] ZINC000253181998 352528622 /nfs/dbraw/zinc/52/86/22/352528622.db2.gz FNTGHDWEYQRLBU-VXGBXAGGSA-N 2 2 296.415 0.672 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000265087862 352617981 /nfs/dbraw/zinc/61/79/81/352617981.db2.gz BTIQXUZVQQRWAL-CYBMUJFWSA-N 2 2 293.415 0.977 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000265087862 352617986 /nfs/dbraw/zinc/61/79/86/352617986.db2.gz BTIQXUZVQQRWAL-CYBMUJFWSA-N 2 2 293.415 0.977 20 0 CCADLP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000263041427 352591508 /nfs/dbraw/zinc/59/15/08/352591508.db2.gz SWTCOKGPLUKPGW-NXEZZACHSA-N 2 2 259.300 0.290 20 0 CCADLP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000263041427 352591510 /nfs/dbraw/zinc/59/15/10/352591510.db2.gz SWTCOKGPLUKPGW-NXEZZACHSA-N 2 2 259.300 0.290 20 0 CCADLP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263039971 352591697 /nfs/dbraw/zinc/59/16/97/352591697.db2.gz STKVRLSPNLDLBK-UWVGGRQHSA-N 2 2 263.332 0.830 20 0 CCADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000261622905 352562359 /nfs/dbraw/zinc/56/23/59/352562359.db2.gz DQOOSQGZGLKRRM-MRXNPFEDSA-N 3 2 294.443 0.400 20 0 CCADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000261622905 352562361 /nfs/dbraw/zinc/56/23/61/352562361.db2.gz DQOOSQGZGLKRRM-MRXNPFEDSA-N 3 2 294.443 0.400 20 0 CCADLP CC(C)([NH3+])C[N@@H+]1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000262051619 352573795 /nfs/dbraw/zinc/57/37/95/352573795.db2.gz ZPMIRXJJBHYSAH-VIFPVBQESA-N 2 2 265.361 0.425 20 0 CCADLP CC(C)([NH3+])C[N@H+]1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000262051619 352573799 /nfs/dbraw/zinc/57/37/99/352573799.db2.gz ZPMIRXJJBHYSAH-VIFPVBQESA-N 2 2 265.361 0.425 20 0 CCADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)[nH]1 ZINC000262053738 352573993 /nfs/dbraw/zinc/57/39/93/352573993.db2.gz QLXOWDMDAVKZEA-CQSZACIVSA-N 2 2 263.341 0.987 20 0 CCADLP COC(=O)c1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)[nH]1 ZINC000262053738 352573994 /nfs/dbraw/zinc/57/39/94/352573994.db2.gz QLXOWDMDAVKZEA-CQSZACIVSA-N 2 2 263.341 0.987 20 0 CCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604388986 363192409 /nfs/dbraw/zinc/19/24/09/363192409.db2.gz KFQOOSWJXRVYOA-UKRRQHHQSA-N 2 2 294.443 0.365 20 0 CCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604388986 363192413 /nfs/dbraw/zinc/19/24/13/363192413.db2.gz KFQOOSWJXRVYOA-UKRRQHHQSA-N 2 2 294.443 0.365 20 0 CCADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000418550189 234162588 /nfs/dbraw/zinc/16/25/88/234162588.db2.gz LEJCRTXUFIRFCE-ZDUSSCGKSA-N 2 2 291.399 0.959 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000266819833 352723743 /nfs/dbraw/zinc/72/37/43/352723743.db2.gz HRASRTWRNLINNZ-LBPRGKRZSA-N 2 2 278.356 0.446 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000266819833 352723746 /nfs/dbraw/zinc/72/37/46/352723746.db2.gz HRASRTWRNLINNZ-LBPRGKRZSA-N 2 2 278.356 0.446 20 0 CCADLP C[NH+](C)C/C=C/C(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000267603895 352778006 /nfs/dbraw/zinc/77/80/06/352778006.db2.gz JSCGNIGFYVPXIN-BPJJOFIESA-N 2 2 262.357 0.992 20 0 CCADLP CS[C@H]1CN(Cc2[nH+]ccn2C)C[C@H]1[NH+](C)C ZINC000270619383 352958312 /nfs/dbraw/zinc/95/83/12/352958312.db2.gz CYCQCNFBJJNKDR-MNOVXSKESA-N 2 2 254.403 0.898 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCNC(=O)[C@H]1C(C)C ZINC000270639180 352961070 /nfs/dbraw/zinc/96/10/70/352961070.db2.gz IQTBVBAIOOJNQR-GFCCVEGCSA-N 2 2 250.346 0.648 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCNC(=O)[C@H]1C(C)C ZINC000270639180 352961073 /nfs/dbraw/zinc/96/10/73/352961073.db2.gz IQTBVBAIOOJNQR-GFCCVEGCSA-N 2 2 250.346 0.648 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+](C)CCNC(=O)C(C)C ZINC000271086254 353021235 /nfs/dbraw/zinc/02/12/35/353021235.db2.gz GLIAWZDAACZQIE-UHFFFAOYSA-N 2 2 252.362 0.896 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+](C)CCNC(=O)C(C)C ZINC000271086254 353021239 /nfs/dbraw/zinc/02/12/39/353021239.db2.gz GLIAWZDAACZQIE-UHFFFAOYSA-N 2 2 252.362 0.896 20 0 CCADLP C[NH+](C)CCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272145053 353038812 /nfs/dbraw/zinc/03/88/12/353038812.db2.gz ATHAWKBEHYJDHU-UHFFFAOYSA-N 2 2 259.313 0.559 20 0 CCADLP CSCC[C@H]([NH3+])C(=O)NCCNc1cccc[nH+]1 ZINC000272270244 353048390 /nfs/dbraw/zinc/04/83/90/353048390.db2.gz BECVFKBZEYKMTO-JTQLQIEISA-N 2 2 268.386 0.690 20 0 CCADLP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1[nH+]cnc2[nH]ccc21 ZINC000419004353 234285131 /nfs/dbraw/zinc/28/51/31/234285131.db2.gz OEAVTQUZUIJSOQ-QWRGUYRKSA-N 2 2 275.356 0.849 20 0 CCADLP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1c1[nH+]cnc2[nH]ccc21 ZINC000419004353 234285135 /nfs/dbraw/zinc/28/51/35/234285135.db2.gz OEAVTQUZUIJSOQ-QWRGUYRKSA-N 2 2 275.356 0.849 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CCO1 ZINC000655446358 412573288 /nfs/dbraw/zinc/57/32/88/412573288.db2.gz PQFNIWSYKGJBNZ-BBRMVZONSA-N 2 2 295.427 0.603 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CCO1 ZINC000655446358 412573292 /nfs/dbraw/zinc/57/32/92/412573292.db2.gz PQFNIWSYKGJBNZ-BBRMVZONSA-N 2 2 295.427 0.603 20 0 CCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)NCc1c[nH+]cn1C ZINC000336448483 213313775 /nfs/dbraw/zinc/31/37/75/213313775.db2.gz WAAUGVINRUUYOC-LLVKDONJSA-N 2 2 265.361 0.656 20 0 CCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCc1c[nH+]cn1C ZINC000336448483 213313778 /nfs/dbraw/zinc/31/37/78/213313778.db2.gz WAAUGVINRUUYOC-LLVKDONJSA-N 2 2 265.361 0.656 20 0 CCADLP C[NH+](C)C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000280135642 353341013 /nfs/dbraw/zinc/34/10/13/353341013.db2.gz CQCCYAOSOUSQRH-GFCCVEGCSA-N 2 2 250.346 0.895 20 0 CCADLP C[NH+](C)C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000280135642 353341015 /nfs/dbraw/zinc/34/10/15/353341015.db2.gz CQCCYAOSOUSQRH-GFCCVEGCSA-N 2 2 250.346 0.895 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)N1CCn2c[nH+]cc2C1 ZINC000292627705 198355448 /nfs/dbraw/zinc/35/54/48/198355448.db2.gz XLDTZIZTNOVESM-UHFFFAOYSA-N 2 2 295.387 0.377 20 0 CCADLP COCC[N@@H+](C)CCCNC(=O)N1CCn2c[nH+]cc2C1 ZINC000292627705 198355449 /nfs/dbraw/zinc/35/54/49/198355449.db2.gz XLDTZIZTNOVESM-UHFFFAOYSA-N 2 2 295.387 0.377 20 0 CCADLP [NH3+]CC(F)(F)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655453138 412577492 /nfs/dbraw/zinc/57/74/92/412577492.db2.gz FSNGDLZKYQCMSZ-MRVPVSSYSA-N 2 2 258.272 0.156 20 0 CCADLP CC[N@H+](CCNC(=O)[C@H](c1c[nH+]cn1C)N(C)C)C1CC1 ZINC000280702617 353377363 /nfs/dbraw/zinc/37/73/63/353377363.db2.gz FMAIWELBVDVMPR-AWEZNQCLSA-N 2 2 293.415 0.623 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@H](c1c[nH+]cn1C)N(C)C)C1CC1 ZINC000280702617 353377366 /nfs/dbraw/zinc/37/73/66/353377366.db2.gz FMAIWELBVDVMPR-AWEZNQCLSA-N 2 2 293.415 0.623 20 0 CCADLP Cc1cc[nH+]c(N2CCO[C@@H](C[N@@H+](C)CC(N)=O)C2)c1 ZINC000282164763 353398759 /nfs/dbraw/zinc/39/87/59/353398759.db2.gz DITFMJSHOVOHGP-LBPRGKRZSA-N 2 2 278.356 0.012 20 0 CCADLP Cc1cc[nH+]c(N2CCO[C@@H](C[N@H+](C)CC(N)=O)C2)c1 ZINC000282164763 353398763 /nfs/dbraw/zinc/39/87/63/353398763.db2.gz DITFMJSHOVOHGP-LBPRGKRZSA-N 2 2 278.356 0.012 20 0 CCADLP O=C(NCC1=CC[NH2+]CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000655453719 412579047 /nfs/dbraw/zinc/57/90/47/412579047.db2.gz PKHDZAUQMFCHQW-LBPRGKRZSA-N 2 2 260.341 0.481 20 0 CCADLP COCCCn1nccc1C[NH2+]CCn1cc[nH+]c1 ZINC000282655320 353442247 /nfs/dbraw/zinc/44/22/47/353442247.db2.gz MICHGFRMQCWNCL-UHFFFAOYSA-N 2 2 263.345 0.906 20 0 CCADLP CC[NH+]1CCN(CCNC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000284085121 353548150 /nfs/dbraw/zinc/54/81/50/353548150.db2.gz SHJUHYISNSPJCX-ONEGZZNKSA-N 2 2 277.372 0.177 20 0 CCADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655458070 412580272 /nfs/dbraw/zinc/58/02/72/412580272.db2.gz KOKLNXZCJVZXPO-QJPTWQEYSA-N 2 2 262.357 0.654 20 0 CCADLP CN(C)S(=O)(=O)CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000286337998 353579121 /nfs/dbraw/zinc/57/91/21/353579121.db2.gz ILSVMHTUNUKMJF-UHFFFAOYSA-N 2 2 286.401 0.411 20 0 CCADLP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Cn1cc[nH+]c1 ZINC000286614002 353600121 /nfs/dbraw/zinc/60/01/21/353600121.db2.gz AAKUTDRMMWUKKZ-STQMWFEESA-N 2 2 262.357 0.968 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2[nH+]ccn2C)[C@@H](C)C1 ZINC000287347627 353640417 /nfs/dbraw/zinc/64/04/17/353640417.db2.gz IZWRZEQVYYUMHT-RYUDHWBXSA-N 2 2 295.387 0.017 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NCc2[nH+]ccn2C)[C@@H](C)C1 ZINC000287347627 353640421 /nfs/dbraw/zinc/64/04/21/353640421.db2.gz IZWRZEQVYYUMHT-RYUDHWBXSA-N 2 2 295.387 0.017 20 0 CCADLP [NH3+]CC[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(F)(F)F ZINC000655464717 412582091 /nfs/dbraw/zinc/58/20/91/412582091.db2.gz GABGFFVYNCSLDY-RKDXNWHRSA-N 2 2 290.289 0.841 20 0 CCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000655463008 412582510 /nfs/dbraw/zinc/58/25/10/412582510.db2.gz BITWJUIBXQCQLT-XQQFMLRXSA-N 2 2 274.368 0.656 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000290900606 353756996 /nfs/dbraw/zinc/75/69/96/353756996.db2.gz CIKICGUFLVVISW-LBPRGKRZSA-N 2 2 293.371 0.129 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000290900606 353756999 /nfs/dbraw/zinc/75/69/99/353756999.db2.gz CIKICGUFLVVISW-LBPRGKRZSA-N 2 2 293.371 0.129 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cc(F)c[nH]2)CC1 ZINC000293376290 353807470 /nfs/dbraw/zinc/80/74/70/353807470.db2.gz MRRGANGXIHFVSV-UHFFFAOYSA-N 2 2 282.363 0.910 20 0 CCADLP CC1(C)C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655465970 412583831 /nfs/dbraw/zinc/58/38/31/412583831.db2.gz WNNAVWXWRMPTDH-NEPJUHHUSA-N 2 2 276.384 0.950 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000293894916 353848906 /nfs/dbraw/zinc/84/89/06/353848906.db2.gz NCRHPMOAGZQVMC-AWEZNQCLSA-N 2 2 262.357 0.815 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000293894916 353848910 /nfs/dbraw/zinc/84/89/10/353848910.db2.gz NCRHPMOAGZQVMC-AWEZNQCLSA-N 2 2 262.357 0.815 20 0 CCADLP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000296291371 353940281 /nfs/dbraw/zinc/94/02/81/353940281.db2.gz FRKNCERZLDJGDI-HIFRSBDPSA-N 2 2 291.395 0.832 20 0 CCADLP CN(C)C(=O)O[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000296728202 353956813 /nfs/dbraw/zinc/95/68/13/353956813.db2.gz NVCBYIURUOCERW-LLVKDONJSA-N 2 2 252.318 0.656 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)N1CC[NH+](C)CC1 ZINC000299676733 354037704 /nfs/dbraw/zinc/03/77/04/354037704.db2.gz WHYQMMWABGQJHP-UHFFFAOYSA-N 2 2 251.334 0.149 20 0 CCADLP COC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000305108420 354130594 /nfs/dbraw/zinc/13/05/94/354130594.db2.gz DVBVCOLREDILQU-IMJJTQAJSA-N 2 2 293.411 0.889 20 0 CCADLP COC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000305108420 354130597 /nfs/dbraw/zinc/13/05/97/354130597.db2.gz DVBVCOLREDILQU-IMJJTQAJSA-N 2 2 293.411 0.889 20 0 CCADLP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@H](O)C[NH+](C)C ZINC000305149728 354133830 /nfs/dbraw/zinc/13/38/30/354133830.db2.gz SYUYFXQTBJVLTA-ZYHUDNBSSA-N 2 2 252.362 0.310 20 0 CCADLP O=C1CCCN1C[C@H](O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000305249346 354142101 /nfs/dbraw/zinc/14/21/01/354142101.db2.gz UQHVNPKUYXCZGQ-QWHCGFSZSA-N 2 2 292.383 0.572 20 0 CCADLP O=C1CCCN1C[C@H](O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000305249346 354142104 /nfs/dbraw/zinc/14/21/04/354142104.db2.gz UQHVNPKUYXCZGQ-QWHCGFSZSA-N 2 2 292.383 0.572 20 0 CCADLP C[N@@H+]1CCN(C(=O)Nc2ccnn2C(C)(C)C)[C@@H](C[NH3+])C1 ZINC000557002167 291020054 /nfs/dbraw/zinc/02/00/54/291020054.db2.gz HJDBHZKMEPCRDE-NSHDSACASA-N 2 2 294.403 0.745 20 0 CCADLP C[N@H+]1CCN(C(=O)Nc2ccnn2C(C)(C)C)[C@@H](C[NH3+])C1 ZINC000557002167 291020056 /nfs/dbraw/zinc/02/00/56/291020056.db2.gz HJDBHZKMEPCRDE-NSHDSACASA-N 2 2 294.403 0.745 20 0 CCADLP CC[N@H+](CC(C)(C)O)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000305743067 354157530 /nfs/dbraw/zinc/15/75/30/354157530.db2.gz OEXPGUISTGSYKX-CYBMUJFWSA-N 2 2 285.432 0.632 20 0 CCADLP CC[N@@H+](CC(C)(C)O)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000305743067 354157535 /nfs/dbraw/zinc/15/75/35/354157535.db2.gz OEXPGUISTGSYKX-CYBMUJFWSA-N 2 2 285.432 0.632 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCc2cccs2)[C@H](C[NH3+])C1 ZINC000557078034 291021508 /nfs/dbraw/zinc/02/15/08/291021508.db2.gz HKPFELNBVYGMBJ-SNVBAGLBSA-N 2 2 268.386 0.532 20 0 CCADLP C[N@H+]1CCN(C(=O)NCc2cccs2)[C@H](C[NH3+])C1 ZINC000557078034 291021509 /nfs/dbraw/zinc/02/15/09/291021509.db2.gz HKPFELNBVYGMBJ-SNVBAGLBSA-N 2 2 268.386 0.532 20 0 CCADLP O=C1NCCN1CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000328685510 202011837 /nfs/dbraw/zinc/01/18/37/202011837.db2.gz XMLQGTNKBOHKLW-CYBMUJFWSA-N 2 2 276.340 0.764 20 0 CCADLP O=C1NCCN1CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000328685510 202011840 /nfs/dbraw/zinc/01/18/40/202011840.db2.gz XMLQGTNKBOHKLW-CYBMUJFWSA-N 2 2 276.340 0.764 20 0 CCADLP C[C@@H](CCc1ccco1)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000557137342 291023617 /nfs/dbraw/zinc/02/36/17/291023617.db2.gz JMCOGEXKPLNVTI-STQMWFEESA-N 2 2 294.399 0.885 20 0 CCADLP C[C@@H](CCc1ccco1)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000557137342 291023619 /nfs/dbraw/zinc/02/36/19/291023619.db2.gz JMCOGEXKPLNVTI-STQMWFEESA-N 2 2 294.399 0.885 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCN(c2cccnn2)CC1 ZINC000328651360 354246445 /nfs/dbraw/zinc/24/64/45/354246445.db2.gz JQLIMYMSZBMECZ-UHFFFAOYSA-N 2 2 272.356 0.804 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000330366867 354330862 /nfs/dbraw/zinc/33/08/62/354330862.db2.gz FCENMHRCVVZCDW-AAEUAGOBSA-N 2 2 253.346 0.663 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000330366867 354330867 /nfs/dbraw/zinc/33/08/67/354330867.db2.gz FCENMHRCVVZCDW-AAEUAGOBSA-N 2 2 253.346 0.663 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@@H](CO)C2CC2)C[C@@H](C)O1 ZINC000573967365 334981232 /nfs/dbraw/zinc/98/12/32/334981232.db2.gz VGEFQLHJSHOQDE-RJZRQDKASA-N 2 2 286.416 0.065 20 0 CCADLP CCOC[C@@H](O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000331307534 354527192 /nfs/dbraw/zinc/52/71/92/354527192.db2.gz SDVGXJCTAKFBDA-NEPJUHHUSA-N 2 2 253.346 0.987 20 0 CCADLP CCOC[C@@H](O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000331307534 354527194 /nfs/dbraw/zinc/52/71/94/354527194.db2.gz SDVGXJCTAKFBDA-NEPJUHHUSA-N 2 2 253.346 0.987 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000557595064 291037602 /nfs/dbraw/zinc/03/76/02/291037602.db2.gz GLBCTCYTBUIGGZ-UHFFFAOYSA-N 2 2 283.416 0.509 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000557595064 291037604 /nfs/dbraw/zinc/03/76/04/291037604.db2.gz GLBCTCYTBUIGGZ-UHFFFAOYSA-N 2 2 283.416 0.509 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CC(C)C2)CC1 ZINC000557634968 291039803 /nfs/dbraw/zinc/03/98/03/291039803.db2.gz BUEOFFXFDAIKQG-HNNXBMFYSA-N 2 2 297.443 0.896 20 0 CCADLP Cc1cc(C)c(CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c[nH+]1 ZINC000333696648 354778427 /nfs/dbraw/zinc/77/84/27/354778427.db2.gz CYXJTKGYVFOZOT-ITGUQSILSA-N 2 2 260.341 0.715 20 0 CCADLP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2C[NH2+]CCO2)cn1 ZINC000423558982 235006550 /nfs/dbraw/zinc/00/65/50/235006550.db2.gz IZZCXWRLJNGPEA-DGCLKSJQSA-N 2 2 265.357 0.599 20 0 CCADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000423746400 235050504 /nfs/dbraw/zinc/05/05/04/235050504.db2.gz RFAQYAHCEKCYDX-CYBMUJFWSA-N 2 2 291.399 0.206 20 0 CCADLP O=C(NCc1cn2ccccc2[nH+]1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000335203044 354985055 /nfs/dbraw/zinc/98/50/55/354985055.db2.gz KBXUCBBBQXLKDW-IUODEOHRSA-N 2 2 270.336 0.950 20 0 CCADLP O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000423750999 235055586 /nfs/dbraw/zinc/05/55/86/235055586.db2.gz FGUNAFWMRKXBKZ-IVMMDQJWSA-N 2 2 293.411 0.356 20 0 CCADLP O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000423750999 235055589 /nfs/dbraw/zinc/05/55/89/235055589.db2.gz FGUNAFWMRKXBKZ-IVMMDQJWSA-N 2 2 293.411 0.356 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@H]2C[C@@H](C)CC[NH2+]2)C[C@H](C)O1 ZINC000423762991 235064437 /nfs/dbraw/zinc/06/44/37/235064437.db2.gz PDPQYVKNDBRVBS-BYNSBNAKSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@H]2C[C@@H](C)CC[NH2+]2)C[C@H](C)O1 ZINC000423762991 235064440 /nfs/dbraw/zinc/06/44/40/235064440.db2.gz PDPQYVKNDBRVBS-BYNSBNAKSA-N 2 2 297.443 0.942 20 0 CCADLP CC[NH+]1CCC(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC000558391385 291053281 /nfs/dbraw/zinc/05/32/81/291053281.db2.gz UDXSXOUPBGRKLL-UHFFFAOYSA-N 2 2 250.346 0.563 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000336596344 355118230 /nfs/dbraw/zinc/11/82/30/355118230.db2.gz HULUGZGLEZPJJJ-ZDUSSCGKSA-N 2 2 276.384 0.998 20 0 CCADLP CC1(C)CCC[NH2+][C@H]1CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000336599510 355119209 /nfs/dbraw/zinc/11/92/09/355119209.db2.gz CPEVHNCYDPVQRL-ZJUUUORDSA-N 2 2 275.343 0.878 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000558449619 291056155 /nfs/dbraw/zinc/05/61/55/291056155.db2.gz OUZIGNGZFYJUFL-LBPRGKRZSA-N 2 2 250.346 0.419 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(C(F)F)CC2)CC1 ZINC000336114173 355095103 /nfs/dbraw/zinc/09/51/03/355095103.db2.gz KYGDBNRRMRAESF-UHFFFAOYSA-N 2 2 275.343 0.738 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C1Cc2ccccc2C1 ZINC000336140660 355100791 /nfs/dbraw/zinc/10/07/91/355100791.db2.gz YGQUNXZOJVLXNM-UHFFFAOYSA-N 2 2 287.407 0.860 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C1Cc2ccccc2C1 ZINC000336140660 355100794 /nfs/dbraw/zinc/10/07/94/355100794.db2.gz YGQUNXZOJVLXNM-UHFFFAOYSA-N 2 2 287.407 0.860 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CCCCCO)CC1 ZINC000336736649 355155051 /nfs/dbraw/zinc/15/50/51/355155051.db2.gz YVNVVLPGNVPIBF-UHFFFAOYSA-N 2 2 252.362 0.705 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cncn3C)C2)CC1 ZINC000336820230 355192716 /nfs/dbraw/zinc/19/27/16/355192716.db2.gz CEGABHUJJSVIGQ-CQSZACIVSA-N 2 2 277.416 0.632 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cncn3C)C2)CC1 ZINC000336820230 355192720 /nfs/dbraw/zinc/19/27/20/355192720.db2.gz CEGABHUJJSVIGQ-CQSZACIVSA-N 2 2 277.416 0.632 20 0 CCADLP CN(CCC[NH+]1CCCC1)C[C@@H](O)C[NH+]1CCOCC1 ZINC000336824417 355198646 /nfs/dbraw/zinc/19/86/46/355198646.db2.gz UQYLKOZCBQAAQZ-OAHLLOKOSA-N 2 2 285.432 0.097 20 0 CCADLP C[C@@H](NC(=O)C[N@H+](C)C[C@@H](O)C[NH3+])c1ccc(F)cc1 ZINC000336829654 355203392 /nfs/dbraw/zinc/20/33/92/355203392.db2.gz DHDVICNLSDBSHF-MFKMUULPSA-N 2 2 283.347 0.254 20 0 CCADLP C[C@@H](NC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])c1ccc(F)cc1 ZINC000336829654 355203394 /nfs/dbraw/zinc/20/33/94/355203394.db2.gz DHDVICNLSDBSHF-MFKMUULPSA-N 2 2 283.347 0.254 20 0 CCADLP C[C@@H](NC(=O)C[N@H+](C)C[C@H](O)C[NH3+])c1ccc(F)cc1 ZINC000336829655 355203843 /nfs/dbraw/zinc/20/38/43/355203843.db2.gz DHDVICNLSDBSHF-ZWNOBZJWSA-N 2 2 283.347 0.254 20 0 CCADLP C[C@@H](NC(=O)C[N@@H+](C)C[C@H](O)C[NH3+])c1ccc(F)cc1 ZINC000336829655 355203846 /nfs/dbraw/zinc/20/38/46/355203846.db2.gz DHDVICNLSDBSHF-ZWNOBZJWSA-N 2 2 283.347 0.254 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@H](CN2CCOCC2)C1)C1CC1 ZINC000336850162 355217645 /nfs/dbraw/zinc/21/76/45/355217645.db2.gz VUGLNRLHJHQMRS-ZBFHGGJFSA-N 2 2 297.443 0.096 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H](CN2CCOCC2)C1)C1CC1 ZINC000336850162 355217650 /nfs/dbraw/zinc/21/76/50/355217650.db2.gz VUGLNRLHJHQMRS-ZBFHGGJFSA-N 2 2 297.443 0.096 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H](CN2CCOCC2)C1)C1CC1 ZINC000336850162 355217656 /nfs/dbraw/zinc/21/76/56/355217656.db2.gz VUGLNRLHJHQMRS-ZBFHGGJFSA-N 2 2 297.443 0.096 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@H](CN2CCOCC2)C1)C1CC1 ZINC000336850162 355217660 /nfs/dbraw/zinc/21/76/60/355217660.db2.gz VUGLNRLHJHQMRS-ZBFHGGJFSA-N 2 2 297.443 0.096 20 0 CCADLP COCC(C)(C)[NH+]1CCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000424213685 235181186 /nfs/dbraw/zinc/18/11/86/235181186.db2.gz ANVPFTYOMJJAEE-LLVKDONJSA-N 2 2 287.429 0.218 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@](C)(O)C(F)(F)F)CC1 ZINC000337128651 355270897 /nfs/dbraw/zinc/27/08/97/355270897.db2.gz IIXNLJDSKURDRQ-LLVKDONJSA-N 2 2 297.321 0.006 20 0 CCADLP Cc1noc([C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)n1 ZINC000338293769 355312723 /nfs/dbraw/zinc/31/27/23/355312723.db2.gz VGISBMBVFXVIGB-JTQLQIEISA-N 2 2 281.360 0.193 20 0 CCADLP COc1ccc(C[NH+]2CCN(C(=O)C[NH+](C)C)CC2)cc1 ZINC000338359239 355330975 /nfs/dbraw/zinc/33/09/75/355330975.db2.gz ZMYPLTVRIXGHDG-UHFFFAOYSA-N 2 2 291.395 0.901 20 0 CCADLP CC[C@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C(=O)OC ZINC000338835830 355433619 /nfs/dbraw/zinc/43/36/19/355433619.db2.gz YUJYCXFXWOIFSW-CYBMUJFWSA-N 2 2 299.415 0.328 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000339094791 355486558 /nfs/dbraw/zinc/48/65/58/355486558.db2.gz WTSPDGBREKYNKS-CYBMUJFWSA-N 2 2 264.373 0.809 20 0 CCADLP Cc1noc(CCC[NH2+]Cc2c[nH+]c(N(C)C)n2C)n1 ZINC000425350361 235287938 /nfs/dbraw/zinc/28/79/38/235287938.db2.gz LKRUUFZNXVIVFW-UHFFFAOYSA-N 2 2 278.360 0.900 20 0 CCADLP Cn1cnc2c(c1=O)CC[N@H+](CCCn1cc[nH+]c1)C2 ZINC000340206432 355522502 /nfs/dbraw/zinc/52/25/02/355522502.db2.gz YTDRUDREUZZIBN-UHFFFAOYSA-N 2 2 273.340 0.425 20 0 CCADLP Cn1cnc2c(c1=O)CC[N@@H+](CCCn1cc[nH+]c1)C2 ZINC000340206432 355522505 /nfs/dbraw/zinc/52/25/05/355522505.db2.gz YTDRUDREUZZIBN-UHFFFAOYSA-N 2 2 273.340 0.425 20 0 CCADLP Cc1cnc(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)n1C ZINC000341037213 355592337 /nfs/dbraw/zinc/59/23/37/355592337.db2.gz AOUPVPDHCHVRLS-LBPRGKRZSA-N 2 2 265.405 0.454 20 0 CCADLP O=C(NCc1cn2ccccc2[nH+]1)C1CC[NH2+]CC1 ZINC000272349950 191671090 /nfs/dbraw/zinc/67/10/90/191671090.db2.gz QLEPLCQOFHSAOZ-UHFFFAOYSA-N 2 2 258.325 0.950 20 0 CCADLP CN1CCC[C@@H]([N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000558728842 291071023 /nfs/dbraw/zinc/07/10/23/291071023.db2.gz BRQXKGMMIOYHEB-HUUCEWRRSA-N 2 2 295.427 0.651 20 0 CCADLP CN1CCC[C@@H]([N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000558728842 291071028 /nfs/dbraw/zinc/07/10/28/291071028.db2.gz BRQXKGMMIOYHEB-HUUCEWRRSA-N 2 2 295.427 0.651 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[NH+](C)CC1 ZINC000341194193 355627297 /nfs/dbraw/zinc/62/72/97/355627297.db2.gz CRTZMLFKXPHWAV-UHFFFAOYSA-N 2 2 279.388 0.996 20 0 CCADLP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CC)C1 ZINC000342418516 355729811 /nfs/dbraw/zinc/72/98/11/355729811.db2.gz UFZSOCUJKAIUPG-HUUCEWRRSA-N 2 2 297.443 0.897 20 0 CCADLP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CC)C1 ZINC000342418516 355729815 /nfs/dbraw/zinc/72/98/15/355729815.db2.gz UFZSOCUJKAIUPG-HUUCEWRRSA-N 2 2 297.443 0.897 20 0 CCADLP COC(=O)[C@H]([N@@H+]1CC[C@H](C[NH+](C)C)C1)C1(OC)CCC1 ZINC000347821885 355882901 /nfs/dbraw/zinc/88/29/01/355882901.db2.gz YUJVDXYCOOJJRB-OLZOCXBDSA-N 2 2 284.400 0.981 20 0 CCADLP COC(=O)[C@H]([N@H+]1CC[C@H](C[NH+](C)C)C1)C1(OC)CCC1 ZINC000347821885 355882903 /nfs/dbraw/zinc/88/29/03/355882903.db2.gz YUJVDXYCOOJJRB-OLZOCXBDSA-N 2 2 284.400 0.981 20 0 CCADLP C[C@@H]1CC[C@H]([N@H+](CCO)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000351646243 356003400 /nfs/dbraw/zinc/00/34/00/356003400.db2.gz FXRCCZBAJXPZOA-KGLIPLIRSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@@H]1CC[C@H]([N@@H+](CCO)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000351646243 356003406 /nfs/dbraw/zinc/00/34/06/356003406.db2.gz FXRCCZBAJXPZOA-KGLIPLIRSA-N 2 2 283.416 0.243 20 0 CCADLP COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000559311870 291081758 /nfs/dbraw/zinc/08/17/58/291081758.db2.gz OMKRAUXFVHHOPE-DOMZBBRYSA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)CNC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000559311870 291081762 /nfs/dbraw/zinc/08/17/62/291081762.db2.gz OMKRAUXFVHHOPE-DOMZBBRYSA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)CNC(=O)[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000559311870 291081763 /nfs/dbraw/zinc/08/17/63/291081763.db2.gz OMKRAUXFVHHOPE-DOMZBBRYSA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)CNC(=O)[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000559311870 291081766 /nfs/dbraw/zinc/08/17/66/291081766.db2.gz OMKRAUXFVHHOPE-DOMZBBRYSA-N 2 2 297.399 0.082 20 0 CCADLP COC[C@@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)OC ZINC000352733476 356065759 /nfs/dbraw/zinc/06/57/59/356065759.db2.gz RJPDULQMCSUPSY-SNVBAGLBSA-N 2 2 273.402 0.956 20 0 CCADLP C[C@@H](C(=O)N1CCCC12CC[NH+](C)CC2)[NH+]1CCOCC1 ZINC000352774162 356076719 /nfs/dbraw/zinc/07/67/19/356076719.db2.gz WFPJBGMFCLKJCM-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N1CC[N@H+](CC)C[C@@H]1C ZINC000352875260 356100674 /nfs/dbraw/zinc/10/06/74/356100674.db2.gz XOTMZVUTSUSRBP-ZDUSSCGKSA-N 2 2 291.461 0.684 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N1CC[N@@H+](CC)C[C@@H]1C ZINC000352875260 356100680 /nfs/dbraw/zinc/10/06/80/356100680.db2.gz XOTMZVUTSUSRBP-ZDUSSCGKSA-N 2 2 291.461 0.684 20 0 CCADLP CCC[C@H]([NH2+]C(C)C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000353106211 356157499 /nfs/dbraw/zinc/15/74/99/356157499.db2.gz BKYKZCQMVIVWAV-KBPBESRZSA-N 2 2 285.432 0.990 20 0 CCADLP CCC[C@H]([NH2+]C(C)C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000353106211 356157502 /nfs/dbraw/zinc/15/75/02/356157502.db2.gz BKYKZCQMVIVWAV-KBPBESRZSA-N 2 2 285.432 0.990 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2C(F)F)CC1 ZINC000353179567 356171897 /nfs/dbraw/zinc/17/18/97/356171897.db2.gz JEWDSNCONMVYQC-LLVKDONJSA-N 2 2 275.343 0.880 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]2C(F)F)CC1 ZINC000353179567 356171900 /nfs/dbraw/zinc/17/19/00/356171900.db2.gz JEWDSNCONMVYQC-LLVKDONJSA-N 2 2 275.343 0.880 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000353432223 356221536 /nfs/dbraw/zinc/22/15/36/356221536.db2.gz RUZVSCSPEHGVCX-ILXRZTDVSA-N 2 2 296.459 0.373 20 0 CCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]([NH3+])[C@@H](C)CC)CC1 ZINC000353475316 356232317 /nfs/dbraw/zinc/23/23/17/356232317.db2.gz XQJKJUUITDMBLJ-GXTWGEPZSA-N 2 2 298.431 0.030 20 0 CCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]([NH3+])[C@@H](C)CC)CC1 ZINC000353475316 356232320 /nfs/dbraw/zinc/23/23/20/356232320.db2.gz XQJKJUUITDMBLJ-GXTWGEPZSA-N 2 2 298.431 0.030 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000353574798 356251905 /nfs/dbraw/zinc/25/19/05/356251905.db2.gz DCAFOHJRUVVGFF-CYBMUJFWSA-N 2 2 279.388 0.048 20 0 CCADLP [NH3+][C@H](C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000353669666 356270512 /nfs/dbraw/zinc/27/05/12/356270512.db2.gz WCIWLPXFESTEPR-HNNXBMFYSA-N 2 2 299.378 0.754 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000353511694 356243394 /nfs/dbraw/zinc/24/33/94/356243394.db2.gz JZOIMMRDDLNOPZ-STQMWFEESA-N 2 2 291.399 0.442 20 0 CCADLP Cc1cc[nH+]c(N2CC[NH+]([C@@H]3COC[C@H]3O)CC2)c1 ZINC000361307756 138027964 /nfs/dbraw/zinc/02/79/64/138027964.db2.gz HZGAXURAULEGAX-CHWSQXEVSA-N 2 2 263.341 0.272 20 0 CCADLP Cc1nc(NCC[NH+]2CCN(c3ncccn3)CC2)cc[nH+]1 ZINC000360966456 138017383 /nfs/dbraw/zinc/01/73/83/138017383.db2.gz OZJMPRLGTUCSTK-UHFFFAOYSA-N 2 2 299.382 0.231 20 0 CCADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CCCS1(=O)=O ZINC000353950767 356320458 /nfs/dbraw/zinc/32/04/58/356320458.db2.gz GKBCRDVIAVLKBT-GFCCVEGCSA-N 2 2 283.397 0.814 20 0 CCADLP C[C@@H](O)[C@@H]1CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000362277301 138053428 /nfs/dbraw/zinc/05/34/28/138053428.db2.gz JSFCPMCUEYOSPF-GHMZBOCLSA-N 2 2 252.362 0.689 20 0 CCADLP C[C@@H](O)[C@@H]1CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000362277301 138053429 /nfs/dbraw/zinc/05/34/29/138053429.db2.gz JSFCPMCUEYOSPF-GHMZBOCLSA-N 2 2 252.362 0.689 20 0 CCADLP CCC[C@H]1C[NH2+]CCN1C(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000362565715 138064448 /nfs/dbraw/zinc/06/44/48/138064448.db2.gz UWQLVLDMOGXVKU-NEPJUHHUSA-N 2 2 291.399 0.701 20 0 CCADLP O=C(NCC[NH+]1CCSCC1)[C@H]1CCCc2[nH+]ccn21 ZINC000354408139 356408525 /nfs/dbraw/zinc/40/85/25/356408525.db2.gz VXLXSBAHEJOOSR-GFCCVEGCSA-N 2 2 294.424 0.926 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000331738274 283165190 /nfs/dbraw/zinc/16/51/90/283165190.db2.gz WDVHYZVDBQFPSC-KFWWJZLASA-N 3 2 261.369 0.787 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000331738274 283165193 /nfs/dbraw/zinc/16/51/93/283165193.db2.gz WDVHYZVDBQFPSC-KFWWJZLASA-N 3 2 261.369 0.787 20 0 CCADLP C[NH+]1CCc2ncnc(N3CC[C@H]4CC[N@@H+](C)C[C@@H]43)c2C1 ZINC000272147024 283181149 /nfs/dbraw/zinc/18/11/49/283181149.db2.gz CNODMUSSEKBWCP-DOMZBBRYSA-N 2 2 287.411 0.995 20 0 CCADLP C[NH+]1CCc2ncnc(N3CC[C@H]4CC[N@H+](C)C[C@@H]43)c2C1 ZINC000272147024 283181152 /nfs/dbraw/zinc/18/11/52/283181152.db2.gz CNODMUSSEKBWCP-DOMZBBRYSA-N 2 2 287.411 0.995 20 0 CCADLP C[NH+]1CC[C@@H]2CCN(c3ncnc4c3C[N@H+](C)CC4)[C@H]2C1 ZINC000272147024 283181153 /nfs/dbraw/zinc/18/11/53/283181153.db2.gz CNODMUSSEKBWCP-DOMZBBRYSA-N 2 2 287.411 0.995 20 0 CCADLP C[NH+]1CC[C@@H]2CCN(c3ncnc4c3C[N@@H+](C)CC4)[C@H]2C1 ZINC000272147024 283181156 /nfs/dbraw/zinc/18/11/56/283181156.db2.gz CNODMUSSEKBWCP-DOMZBBRYSA-N 2 2 287.411 0.995 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000355185597 356601823 /nfs/dbraw/zinc/60/18/23/356601823.db2.gz WPAGPAARKVFUEQ-HUUCEWRRSA-N 2 2 294.443 0.367 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000355185597 356601824 /nfs/dbraw/zinc/60/18/24/356601824.db2.gz WPAGPAARKVFUEQ-HUUCEWRRSA-N 2 2 294.443 0.367 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000560867639 291114048 /nfs/dbraw/zinc/11/40/48/291114048.db2.gz IVDJTOTUROSHMN-GFCCVEGCSA-N 2 2 269.389 0.165 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000560867639 291114049 /nfs/dbraw/zinc/11/40/49/291114049.db2.gz IVDJTOTUROSHMN-GFCCVEGCSA-N 2 2 269.389 0.165 20 0 CCADLP C[NH+](C)CCOCCNC(=O)CCc1[nH]cc[nH+]1 ZINC000355799893 356650534 /nfs/dbraw/zinc/65/05/34/356650534.db2.gz RPLPASUCAUDLEC-UHFFFAOYSA-N 2 2 254.334 0.037 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000355923988 356670654 /nfs/dbraw/zinc/67/06/54/356670654.db2.gz XXEWVTFTHWVDFC-OLZOCXBDSA-N 2 2 292.383 0.286 20 0 CCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C1 ZINC000329041017 202165327 /nfs/dbraw/zinc/16/53/27/202165327.db2.gz IETYQFPLWJILNI-NEPJUHHUSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C1 ZINC000329041017 202165330 /nfs/dbraw/zinc/16/53/30/202165330.db2.gz IETYQFPLWJILNI-NEPJUHHUSA-N 2 2 262.357 0.895 20 0 CCADLP C[C@@H](C(=O)N1CCC[C@@H]([NH+](C)C)C1)[NH+]1CCN(C)CC1 ZINC000358578225 356779969 /nfs/dbraw/zinc/77/99/69/356779969.db2.gz YSPZSTVFJVZIGT-UONOGXRCSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C)[NH+]1CCSCC1 ZINC000356834363 356766951 /nfs/dbraw/zinc/76/69/51/356766951.db2.gz AUNFKPKZMNDQRC-UPJWGTAASA-N 2 2 285.457 0.975 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C)[NH+]1CCSCC1 ZINC000356834363 356766954 /nfs/dbraw/zinc/76/69/54/356766954.db2.gz AUNFKPKZMNDQRC-UPJWGTAASA-N 2 2 285.457 0.975 20 0 CCADLP CCC[N@H+](C)CC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000619889647 366370236 /nfs/dbraw/zinc/37/02/36/366370236.db2.gz FVAXMVYNYXUVJR-UHFFFAOYSA-N 2 2 297.443 0.899 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000619889647 366370243 /nfs/dbraw/zinc/37/02/43/366370243.db2.gz FVAXMVYNYXUVJR-UHFFFAOYSA-N 2 2 297.443 0.899 20 0 CCADLP C[C@@H](C(=O)NCc1ccccc1F)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359312832 356799930 /nfs/dbraw/zinc/79/99/30/356799930.db2.gz STSGQEOVVOMSSL-FPMFFAJLSA-N 2 2 291.370 0.982 20 0 CCADLP C[C@@H](C(=O)NCc1ccccc1F)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359312832 356799936 /nfs/dbraw/zinc/79/99/36/356799936.db2.gz STSGQEOVVOMSSL-FPMFFAJLSA-N 2 2 291.370 0.982 20 0 CCADLP COc1coc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1=O ZINC000359321406 356801904 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C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C[C@H]3CCOC3)C2)CC1 ZINC000365468548 357153129 /nfs/dbraw/zinc/15/31/29/357153129.db2.gz ODHAGPKHEAQZSR-ZIAGYGMSSA-N 2 2 295.427 0.698 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365621159 357162583 /nfs/dbraw/zinc/16/25/83/357162583.db2.gz DBRFNXZXXPMOCH-CYBMUJFWSA-N 2 2 294.399 0.752 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365621159 357162585 /nfs/dbraw/zinc/16/25/85/357162585.db2.gz DBRFNXZXXPMOCH-CYBMUJFWSA-N 2 2 294.399 0.752 20 0 CCADLP O=C(NCC[N@H+]1CC=CCC1)C1([NH+]2CCOCC2)CCC1 ZINC000366562435 357224603 /nfs/dbraw/zinc/22/46/03/357224603.db2.gz QLWYWDWGVYRFHT-UHFFFAOYSA-N 2 2 293.411 0.619 20 0 CCADLP O=C(NCC[N@@H+]1CC=CCC1)C1([NH+]2CCOCC2)CCC1 ZINC000366562435 357224607 /nfs/dbraw/zinc/22/46/07/357224607.db2.gz QLWYWDWGVYRFHT-UHFFFAOYSA-N 2 2 293.411 0.619 20 0 CCADLP CNS(=O)(=O)[C@@H]1CC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000366655959 357232147 /nfs/dbraw/zinc/23/21/47/357232147.db2.gz 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ZINC000367377340 357271540 /nfs/dbraw/zinc/27/15/40/357271540.db2.gz JKFPEIPBCCXIRD-LBPRGKRZSA-N 2 2 277.372 0.625 20 0 CCADLP OC[C@H](CC1CC1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655737763 412654765 /nfs/dbraw/zinc/65/47/65/412654765.db2.gz PPDVMCCDSVFQPH-GJZGRUSLSA-N 2 2 268.401 0.990 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3CC(=O)C3)C2)CC1 ZINC000376821943 357507990 /nfs/dbraw/zinc/50/79/90/357507990.db2.gz GZZWLNCYKALIJA-GFCCVEGCSA-N 2 2 279.384 0.250 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3CC(=O)C3)C2)CC1 ZINC000376821943 357507996 /nfs/dbraw/zinc/50/79/96/357507996.db2.gz GZZWLNCYKALIJA-GFCCVEGCSA-N 2 2 279.384 0.250 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377764016 357612382 /nfs/dbraw/zinc/61/23/82/357612382.db2.gz ATRQVIBUPQLWOL-LSDHHAIUSA-N 2 2 295.427 0.413 20 0 CCADLP COCC[C@@H](COC)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655769690 412658364 /nfs/dbraw/zinc/65/83/64/412658364.db2.gz LZQOSMKXWHKNBE-GJZGRUSLSA-N 2 2 286.416 0.881 20 0 CCADLP CN(C)CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655768914 412658545 /nfs/dbraw/zinc/65/85/45/412658545.db2.gz RQPZAXHUQPETHH-CQSZACIVSA-N 2 2 255.406 0.781 20 0 CCADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)[C@H](C)O ZINC000655772298 412657932 /nfs/dbraw/zinc/65/79/32/412657932.db2.gz MNBPPNBVORJHMB-YUTCNCBUSA-N 2 2 256.390 0.989 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000378382657 357677380 /nfs/dbraw/zinc/67/73/80/357677380.db2.gz NDOCLANXIPEJSH-UONOGXRCSA-N 2 2 281.400 0.119 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000378382657 357677382 /nfs/dbraw/zinc/67/73/82/357677382.db2.gz NDOCLANXIPEJSH-UONOGXRCSA-N 2 2 281.400 0.119 20 0 CCADLP COCCN1CC[C@H]([NH2+][C@H]2CCC[N@H+](CCCO)C2)C1 ZINC000449397113 236032708 /nfs/dbraw/zinc/03/27/08/236032708.db2.gz ODUNVBNSMAHNFA-GJZGRUSLSA-N 2 2 285.432 0.144 20 0 CCADLP COCCN1CC[C@H]([NH2+][C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000449397113 236032709 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CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](F)C2)CC1 ZINC000336259429 213096290 /nfs/dbraw/zinc/09/62/90/213096290.db2.gz AOLPPPYROWNFCU-NEPJUHHUSA-N 2 2 257.353 0.583 20 0 CCADLP CO[C@@H]1COC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655779141 412661088 /nfs/dbraw/zinc/66/10/88/412661088.db2.gz CYHVINMKNOWIQW-BFHYXJOUSA-N 2 2 270.373 0.243 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1CS(N)(=O)=O ZINC000407948643 357831094 /nfs/dbraw/zinc/83/10/94/357831094.db2.gz JWJPLPTZKUTATM-NEPJUHHUSA-N 2 2 275.418 0.224 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1CS(N)(=O)=O ZINC000407948643 357831098 /nfs/dbraw/zinc/83/10/98/357831098.db2.gz JWJPLPTZKUTATM-NEPJUHHUSA-N 2 2 275.418 0.224 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000407948643 357831102 /nfs/dbraw/zinc/83/11/02/357831102.db2.gz JWJPLPTZKUTATM-NEPJUHHUSA-N 2 2 275.418 0.224 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000407948643 357831107 /nfs/dbraw/zinc/83/11/07/357831107.db2.gz JWJPLPTZKUTATM-NEPJUHHUSA-N 2 2 275.418 0.224 20 0 CCADLP CS[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000336253649 213087562 /nfs/dbraw/zinc/08/75/62/213087562.db2.gz MWUZSIHKYRISJO-NSHDSACASA-N 2 2 257.403 0.198 20 0 CCADLP CS[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000336253649 213087564 /nfs/dbraw/zinc/08/75/64/213087564.db2.gz MWUZSIHKYRISJO-NSHDSACASA-N 2 2 257.403 0.198 20 0 CCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000561500574 291130690 /nfs/dbraw/zinc/13/06/90/291130690.db2.gz AOOIXYRKJBJECU-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000423390096 358199935 /nfs/dbraw/zinc/19/99/35/358199935.db2.gz VRZSDSKAJNKOTR-UTUOFQBUSA-N 2 2 262.419 0.930 20 0 CCADLP Cn1cc(N2CCC[C@H]([NH2+][C@@H]3CCCC[C@H]3[NH3+])C2=O)cn1 ZINC000424287099 358210720 /nfs/dbraw/zinc/21/07/20/358210720.db2.gz ILTMDGORFFXEDL-MCIONIFRSA-N 2 2 291.399 0.775 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000430643793 358228066 /nfs/dbraw/zinc/22/80/66/358228066.db2.gz SLHFCHADAMJSBX-DGCLKSJQSA-N 2 2 251.374 0.681 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000430643793 358228069 /nfs/dbraw/zinc/22/80/69/358228069.db2.gz SLHFCHADAMJSBX-DGCLKSJQSA-N 2 2 251.374 0.681 20 0 CCADLP Cn1ccc(N2CCC[C@H]([NH+]3CCC([NH3+])CC3)C2=O)n1 ZINC000430597232 358228146 /nfs/dbraw/zinc/22/81/46/358228146.db2.gz ZGFLMCJUHHPZPN-LBPRGKRZSA-N 2 2 277.372 0.339 20 0 CCADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247588246 283354883 /nfs/dbraw/zinc/35/48/83/283354883.db2.gz MIGXPKBAJUJYRO-GHMZBOCLSA-N 2 2 279.344 0.222 20 0 CCADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247588246 283354888 /nfs/dbraw/zinc/35/48/88/283354888.db2.gz MIGXPKBAJUJYRO-GHMZBOCLSA-N 2 2 279.344 0.222 20 0 CCADLP C[C@@H](C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)[NH+]1CCSCC1 ZINC000452978665 358268896 /nfs/dbraw/zinc/26/88/96/358268896.db2.gz SIPYJHNJXUFJNZ-RWMBFGLXSA-N 2 2 283.441 0.586 20 0 CCADLP C[C@@H](C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)[NH+]1CCSCC1 ZINC000452978665 358268897 /nfs/dbraw/zinc/26/88/97/358268897.db2.gz SIPYJHNJXUFJNZ-RWMBFGLXSA-N 2 2 283.441 0.586 20 0 CCADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000530220735 358380565 /nfs/dbraw/zinc/38/05/65/358380565.db2.gz APMRXDBEVYWQPP-UHFFFAOYSA-N 2 2 289.383 0.224 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCN(C3CCCCC3)C2=O)CCCO1 ZINC000530226836 358383026 /nfs/dbraw/zinc/38/30/26/358383026.db2.gz UAVSREBNQKNASP-CABCVRRESA-N 2 2 295.427 0.970 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCN(C3CCCCC3)C2=O)CCCO1 ZINC000530226836 358383029 /nfs/dbraw/zinc/38/30/29/358383029.db2.gz UAVSREBNQKNASP-CABCVRRESA-N 2 2 295.427 0.970 20 0 CCADLP C[N@@H+](Cc1cccnc1C(F)(F)F)C[C@H](O)C[NH3+] ZINC000530228209 358383034 /nfs/dbraw/zinc/38/30/34/358383034.db2.gz YUNAZJXJLPHYAN-SECBINFHSA-N 2 2 263.263 0.852 20 0 CCADLP C[N@H+](Cc1cccnc1C(F)(F)F)C[C@H](O)C[NH3+] ZINC000530228209 358383037 /nfs/dbraw/zinc/38/30/37/358383037.db2.gz YUNAZJXJLPHYAN-SECBINFHSA-N 2 2 263.263 0.852 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCCCC3)C2=O)CCCO1 ZINC000530226838 358383096 /nfs/dbraw/zinc/38/30/96/358383096.db2.gz UAVSREBNQKNASP-HUUCEWRRSA-N 2 2 295.427 0.970 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCN(C3CCCCC3)C2=O)CCCO1 ZINC000530226838 358383098 /nfs/dbraw/zinc/38/30/98/358383098.db2.gz UAVSREBNQKNASP-HUUCEWRRSA-N 2 2 295.427 0.970 20 0 CCADLP O[C@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)Cn1cccn1 ZINC000530245412 358386340 /nfs/dbraw/zinc/38/63/40/358386340.db2.gz YDYASDPNZOOARB-HUUCEWRRSA-N 2 2 278.400 0.851 20 0 CCADLP O[C@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1)Cn1cccn1 ZINC000530245412 358386343 /nfs/dbraw/zinc/38/63/43/358386343.db2.gz YDYASDPNZOOARB-HUUCEWRRSA-N 2 2 278.400 0.851 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCN(c2nccs2)CC1 ZINC000562443270 291152343 /nfs/dbraw/zinc/15/23/43/291152343.db2.gz IJSOTJCQYXKZIT-ZDUSSCGKSA-N 2 2 298.456 0.968 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCN(c2nccs2)CC1 ZINC000562443270 291152344 /nfs/dbraw/zinc/15/23/44/291152344.db2.gz IJSOTJCQYXKZIT-ZDUSSCGKSA-N 2 2 298.456 0.968 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000562443270 291152345 /nfs/dbraw/zinc/15/23/45/291152345.db2.gz IJSOTJCQYXKZIT-ZDUSSCGKSA-N 2 2 298.456 0.968 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCN(c2nccs2)CC1 ZINC000562443270 291152348 /nfs/dbraw/zinc/15/23/48/291152348.db2.gz IJSOTJCQYXKZIT-ZDUSSCGKSA-N 2 2 298.456 0.968 20 0 CCADLP Cc1ccccc1[C@@H]([NH3+])C(=O)NCC(F)(F)C[NH3+] ZINC000294895168 199236339 /nfs/dbraw/zinc/23/63/39/199236339.db2.gz WTBHGYPFKSJADE-SNVBAGLBSA-N 2 2 257.284 0.705 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)Cn1cc[nH+]c1 ZINC000531086172 358440384 /nfs/dbraw/zinc/44/03/84/358440384.db2.gz VSEUMLBJWAGJBS-RYUDHWBXSA-N 2 2 250.346 0.587 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)Cn1cc[nH+]c1 ZINC000531086172 358440391 /nfs/dbraw/zinc/44/03/91/358440391.db2.gz VSEUMLBJWAGJBS-RYUDHWBXSA-N 2 2 250.346 0.587 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N(C)Cc2[nH+]ccn2C)C1 ZINC000567749576 358581184 /nfs/dbraw/zinc/58/11/84/358581184.db2.gz OSFQBEKBCYIPSW-NSHDSACASA-N 2 2 250.346 0.720 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N(C)Cc2[nH+]ccn2C)C1 ZINC000567749576 358581186 /nfs/dbraw/zinc/58/11/86/358581186.db2.gz OSFQBEKBCYIPSW-NSHDSACASA-N 2 2 250.346 0.720 20 0 CCADLP C[C@H](C[NH+]1CCCCC1)[NH2+]CCC(=O)NC(N)=O ZINC000567677959 358570503 /nfs/dbraw/zinc/57/05/03/358570503.db2.gz GFOLYCIMSWQDKR-SNVBAGLBSA-N 2 2 256.350 0.035 20 0 CCADLP CC(C)N1C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC1=O ZINC000567682218 358571474 /nfs/dbraw/zinc/57/14/74/358571474.db2.gz JXOVHHQTNSYUKA-YPMHNXCESA-N 2 2 269.389 0.040 20 0 CCADLP CC(C)N1C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC1=O ZINC000567682218 358571476 /nfs/dbraw/zinc/57/14/76/358571476.db2.gz JXOVHHQTNSYUKA-YPMHNXCESA-N 2 2 269.389 0.040 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000567864943 358602541 /nfs/dbraw/zinc/60/25/41/358602541.db2.gz DYZGOIUTWMCNOO-RISCZKNCSA-N 2 2 287.363 0.870 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C[C@H](C)O1 ZINC000567889204 358606339 /nfs/dbraw/zinc/60/63/39/358606339.db2.gz BQJYTRZVLNWSLE-LZWOXQAQSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C[C@H](C)O1 ZINC000567889204 358606344 /nfs/dbraw/zinc/60/63/44/358606344.db2.gz BQJYTRZVLNWSLE-LZWOXQAQSA-N 2 2 295.427 0.698 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCSC[C@@H]1C1CC1 ZINC000568181026 358643223 /nfs/dbraw/zinc/64/32/23/358643223.db2.gz IQWJUHVLGUDJRL-ZIAGYGMSSA-N 2 2 288.457 0.753 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCSC[C@@H]1C1CC1 ZINC000568181026 358643224 /nfs/dbraw/zinc/64/32/24/358643224.db2.gz IQWJUHVLGUDJRL-ZIAGYGMSSA-N 2 2 288.457 0.753 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000568181026 358643225 /nfs/dbraw/zinc/64/32/25/358643225.db2.gz IQWJUHVLGUDJRL-ZIAGYGMSSA-N 2 2 288.457 0.753 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000568181026 358643226 /nfs/dbraw/zinc/64/32/26/358643226.db2.gz IQWJUHVLGUDJRL-ZIAGYGMSSA-N 2 2 288.457 0.753 20 0 CCADLP [NH3+]CC(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000567908600 358611973 /nfs/dbraw/zinc/61/19/73/358611973.db2.gz AXLRMIICOISWTR-UHFFFAOYSA-N 2 2 284.363 0.969 20 0 CCADLP [NH3+]CC[C@@H](NC(=O)Cc1cn2ccccc2[nH+]1)C(F)F ZINC000568094341 358633184 /nfs/dbraw/zinc/63/31/84/358633184.db2.gz COJGDNUDKDKSET-SNVBAGLBSA-N 2 2 282.294 0.976 20 0 CCADLP C[C@H](C(=O)NCC[N@@H+]1CCOC(C)(C)C1)[NH+]1CC(C)C1 ZINC000568192901 358644682 /nfs/dbraw/zinc/64/46/82/358644682.db2.gz XPJLEDYWYAKTNL-CYBMUJFWSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H](C(=O)NCC[N@H+]1CCOC(C)(C)C1)[NH+]1CC(C)C1 ZINC000568192901 358644684 /nfs/dbraw/zinc/64/46/84/358644684.db2.gz XPJLEDYWYAKTNL-CYBMUJFWSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000567821568 358593538 /nfs/dbraw/zinc/59/35/38/358593538.db2.gz CSNYEKVDHDKVPY-XDQVBPFNSA-N 2 2 298.431 0.617 20 0 CCADLP CCOCC[C@H](O)C[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000569228411 358744714 /nfs/dbraw/zinc/74/47/14/358744714.db2.gz DMNGKYCXONLQGY-QWHCGFSZSA-N 2 2 276.446 0.801 20 0 CCADLP CC(C)OC[C@@H](O)C[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000568857607 358710286 /nfs/dbraw/zinc/71/02/86/358710286.db2.gz IZOIRKYFWZJRIY-KBPBESRZSA-N 2 2 274.405 0.330 20 0 CCADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CC[NH2+]C(C)C)C1 ZINC000568864155 358711287 /nfs/dbraw/zinc/71/12/87/358711287.db2.gz ZRJKZMIFOAGFLV-CYBMUJFWSA-N 2 2 299.415 0.376 20 0 CCADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)CC[NH2+]C(C)C)C1 ZINC000568864155 358711290 /nfs/dbraw/zinc/71/12/90/358711290.db2.gz ZRJKZMIFOAGFLV-CYBMUJFWSA-N 2 2 299.415 0.376 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000569694436 358785709 /nfs/dbraw/zinc/78/57/09/358785709.db2.gz TXLURKJXOQUQHQ-MNOVXSKESA-N 2 2 270.377 0.280 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000569694436 358785713 /nfs/dbraw/zinc/78/57/13/358785713.db2.gz TXLURKJXOQUQHQ-MNOVXSKESA-N 2 2 270.377 0.280 20 0 CCADLP Cc1nn(C(C)C)cc1CN1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000570451249 358859355 /nfs/dbraw/zinc/85/93/55/358859355.db2.gz JULKQFWVUVZKSA-AWEZNQCLSA-N 2 2 265.405 0.847 20 0 CCADLP Cc1nn(C(C)C)cc1CN1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000570451249 358859361 /nfs/dbraw/zinc/85/93/61/358859361.db2.gz JULKQFWVUVZKSA-AWEZNQCLSA-N 2 2 265.405 0.847 20 0 CCADLP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000570177973 358830464 /nfs/dbraw/zinc/83/04/64/358830464.db2.gz OZYQSOQXWGNKSY-SNVBAGLBSA-N 2 2 287.323 0.141 20 0 CCADLP COC(=O)c1cn(C2CC[NH+](C[C@@H](C)[NH3+])CC2)nn1 ZINC000570684051 358883860 /nfs/dbraw/zinc/88/38/60/358883860.db2.gz ZYILOKFQTLEJHC-SECBINFHSA-N 2 2 267.333 0.049 20 0 CCADLP C[C@H](c1ccccc1)[C@H](O)C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000570955739 358898754 /nfs/dbraw/zinc/89/87/54/358898754.db2.gz GMBRDRHQHBACFP-HYVNUMGLSA-N 2 2 291.439 0.986 20 0 CCADLP C[C@H](c1ccccc1)[C@H](O)C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000570955739 358898757 /nfs/dbraw/zinc/89/87/57/358898757.db2.gz GMBRDRHQHBACFP-HYVNUMGLSA-N 2 2 291.439 0.986 20 0 CCADLP CO[C@@H]1CC[N@H+](CCCc2nc(C)no2)[C@H](C[NH3+])C1 ZINC000573370822 358961108 /nfs/dbraw/zinc/96/11/08/358961108.db2.gz MVEPEWVJYBFVTH-NWDGAFQWSA-N 2 2 268.361 0.749 20 0 CCADLP CO[C@@H]1CC[N@@H+](CCCc2nc(C)no2)[C@H](C[NH3+])C1 ZINC000573370822 358961112 /nfs/dbraw/zinc/96/11/12/358961112.db2.gz MVEPEWVJYBFVTH-NWDGAFQWSA-N 2 2 268.361 0.749 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000573502939 358973441 /nfs/dbraw/zinc/97/34/41/358973441.db2.gz JRKJLHOAJUVFQP-OAHLLOKOSA-N 2 2 297.443 0.633 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000573502939 358973443 /nfs/dbraw/zinc/97/34/43/358973443.db2.gz JRKJLHOAJUVFQP-OAHLLOKOSA-N 2 2 297.443 0.633 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC2CCC3(CC3)CC2)[C@@H](C[NH3+])C1 ZINC000572825472 358929725 /nfs/dbraw/zinc/92/97/25/358929725.db2.gz KHWHJAZNXUMBOW-ZDUSSCGKSA-N 2 2 280.416 0.994 20 0 CCADLP C[N@H+]1CCN(C(=O)NC2CCC3(CC3)CC2)[C@@H](C[NH3+])C1 ZINC000572825472 358929728 /nfs/dbraw/zinc/92/97/28/358929728.db2.gz KHWHJAZNXUMBOW-ZDUSSCGKSA-N 2 2 280.416 0.994 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCOC[C@@H]1C1CCC1 ZINC000574050909 359024278 /nfs/dbraw/zinc/02/42/78/359024278.db2.gz MSQKYIINBBPZKP-LSDHHAIUSA-N 2 2 286.416 0.426 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCOC[C@@H]1C1CCC1 ZINC000574050909 359024283 /nfs/dbraw/zinc/02/42/83/359024283.db2.gz MSQKYIINBBPZKP-LSDHHAIUSA-N 2 2 286.416 0.426 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000574050909 359024287 /nfs/dbraw/zinc/02/42/87/359024287.db2.gz MSQKYIINBBPZKP-LSDHHAIUSA-N 2 2 286.416 0.426 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000574050909 359024293 /nfs/dbraw/zinc/02/42/93/359024293.db2.gz MSQKYIINBBPZKP-LSDHHAIUSA-N 2 2 286.416 0.426 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@H]1CC[NH2+][C@H]1C)[NH+]1CCOCC1 ZINC000579953126 359067312 /nfs/dbraw/zinc/06/73/12/359067312.db2.gz GLFDUWNTZCXIPF-RVMXOQNASA-N 2 2 269.389 0.210 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000580930789 359110498 /nfs/dbraw/zinc/11/04/98/359110498.db2.gz BTXUSLQKIVGVMB-HOTGVXAUSA-N 3 2 298.475 0.011 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000580930789 359110502 /nfs/dbraw/zinc/11/05/02/359110502.db2.gz BTXUSLQKIVGVMB-HOTGVXAUSA-N 3 2 298.475 0.011 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000580930789 359110506 /nfs/dbraw/zinc/11/05/06/359110506.db2.gz BTXUSLQKIVGVMB-HOTGVXAUSA-N 3 2 298.475 0.011 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000580930789 359110510 /nfs/dbraw/zinc/11/05/10/359110510.db2.gz BTXUSLQKIVGVMB-HOTGVXAUSA-N 3 2 298.475 0.011 20 0 CCADLP CN1CCC[C@H]([NH+]2CCC(CO)([NH2+]CC3CC3)CC2)C1=O ZINC000582423620 359146796 /nfs/dbraw/zinc/14/67/96/359146796.db2.gz FTTVARFUVALJSF-AWEZNQCLSA-N 2 2 295.427 0.434 20 0 CCADLP CCO[C@@H]1C[C@@H]1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000584568985 359172933 /nfs/dbraw/zinc/17/29/33/359172933.db2.gz KFYYHHWLAYOFJC-UONOGXRCSA-N 2 2 298.431 0.489 20 0 CCADLP COc1ccccc1OCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000584589532 359176491 /nfs/dbraw/zinc/17/64/91/359176491.db2.gz XFMIWTGXTLZSGK-LBPRGKRZSA-N 2 2 293.367 0.175 20 0 CCADLP COc1ccccc1OCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000584589532 359176494 /nfs/dbraw/zinc/17/64/94/359176494.db2.gz XFMIWTGXTLZSGK-LBPRGKRZSA-N 2 2 293.367 0.175 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCN(C(=O)C2CC2)CC1 ZINC000584877537 359222284 /nfs/dbraw/zinc/22/22/84/359222284.db2.gz VSRIHRLPZJFOLI-CQSZACIVSA-N 2 2 283.416 0.243 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCN(C(=O)C2CC2)CC1 ZINC000584877537 359222289 /nfs/dbraw/zinc/22/22/89/359222289.db2.gz VSRIHRLPZJFOLI-CQSZACIVSA-N 2 2 283.416 0.243 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000584877537 359222293 /nfs/dbraw/zinc/22/22/93/359222293.db2.gz VSRIHRLPZJFOLI-CQSZACIVSA-N 2 2 283.416 0.243 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000584877537 359222297 /nfs/dbraw/zinc/22/22/97/359222297.db2.gz VSRIHRLPZJFOLI-CQSZACIVSA-N 2 2 283.416 0.243 20 0 CCADLP CO[C@H](C[NH3+])C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000562981507 291177916 /nfs/dbraw/zinc/17/79/16/291177916.db2.gz OXVALVRDKVREPL-LLVKDONJSA-N 2 2 266.345 0.152 20 0 CCADLP Cc1cc(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)n(C)n1 ZINC000563011415 291181533 /nfs/dbraw/zinc/18/15/33/291181533.db2.gz NAFOHELYQBGTTA-ZDUSSCGKSA-N 2 2 252.362 0.273 20 0 CCADLP Cc1cc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)n(C)n1 ZINC000563011415 291181536 /nfs/dbraw/zinc/18/15/36/291181536.db2.gz NAFOHELYQBGTTA-ZDUSSCGKSA-N 2 2 252.362 0.273 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000590859577 359531607 /nfs/dbraw/zinc/53/16/07/359531607.db2.gz LOXGJPQKHGXNAM-SNVBAGLBSA-N 2 2 251.334 0.314 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000590859577 359531610 /nfs/dbraw/zinc/53/16/10/359531610.db2.gz LOXGJPQKHGXNAM-SNVBAGLBSA-N 2 2 251.334 0.314 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)[C@]1(C)CCCO1 ZINC000340479274 299293750 /nfs/dbraw/zinc/29/37/50/299293750.db2.gz PMGCJFFXQLXZCO-YDHLFZDLSA-N 2 2 283.416 0.873 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)[C@]1(C)CCCO1 ZINC000340479274 299293752 /nfs/dbraw/zinc/29/37/52/299293752.db2.gz PMGCJFFXQLXZCO-YDHLFZDLSA-N 2 2 283.416 0.873 20 0 CCADLP C[NH+](C)CCOC1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492759322 237288093 /nfs/dbraw/zinc/28/80/93/237288093.db2.gz BYMKMAFYQDOBED-ARJAWSKDSA-N 2 2 292.383 0.992 20 0 CCADLP CS(=O)(=O)CCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591869059 359670055 /nfs/dbraw/zinc/67/00/55/359670055.db2.gz HMXSQIKRVFHGKL-LBPRGKRZSA-N 2 2 271.386 0.955 20 0 CCADLP CS(=O)(=O)CCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591869059 359670062 /nfs/dbraw/zinc/67/00/62/359670062.db2.gz HMXSQIKRVFHGKL-LBPRGKRZSA-N 2 2 271.386 0.955 20 0 CCADLP CCN(C)C(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591869463 359670384 /nfs/dbraw/zinc/67/03/84/359670384.db2.gz XOXDVBRDKRDFSH-LBPRGKRZSA-N 2 2 250.346 0.998 20 0 CCADLP CCN(C)C(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591869463 359670386 /nfs/dbraw/zinc/67/03/86/359670386.db2.gz XOXDVBRDKRDFSH-LBPRGKRZSA-N 2 2 250.346 0.998 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000563093493 291191288 /nfs/dbraw/zinc/19/12/88/291191288.db2.gz SHCBSEFJAYBRTH-GARJFASQSA-N 2 2 253.350 0.697 20 0 CCADLP [NH3+][C@H](CNC(=O)C1CC[NH+](CC(F)F)CC1)C1CC1 ZINC000563109476 291194366 /nfs/dbraw/zinc/19/43/66/291194366.db2.gz LYYYGTHUHZPKGE-LLVKDONJSA-N 2 2 275.343 0.817 20 0 CCADLP COCC[N@H+](C)CCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493067665 237383501 /nfs/dbraw/zinc/38/35/01/237383501.db2.gz BGCSBONLZOEUQR-ONEGZZNKSA-N 2 2 252.318 0.117 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493067665 237383505 /nfs/dbraw/zinc/38/35/05/237383505.db2.gz BGCSBONLZOEUQR-ONEGZZNKSA-N 2 2 252.318 0.117 20 0 CCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000592198307 359788735 /nfs/dbraw/zinc/78/87/35/359788735.db2.gz PDUDLTKBJPWTQH-YPMHNXCESA-N 2 2 297.399 0.080 20 0 CCADLP C[C@H]1C[N@H+](CCN2CC[NH2+]C[C@H]2c2nccn2C)CCO1 ZINC000563150047 291199796 /nfs/dbraw/zinc/19/97/96/291199796.db2.gz WWSHVFFXXUXHBY-KBPBESRZSA-N 2 2 293.415 0.087 20 0 CCADLP C[C@H]1C[N@@H+](CCN2CC[NH2+]C[C@H]2c2nccn2C)CCO1 ZINC000563150047 291199798 /nfs/dbraw/zinc/19/97/98/291199798.db2.gz WWSHVFFXXUXHBY-KBPBESRZSA-N 2 2 293.415 0.087 20 0 CCADLP C[NH+]1CCN(CCCSC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000592359022 359824263 /nfs/dbraw/zinc/82/42/63/359824263.db2.gz MWEXEUOJAFRTLZ-CQSZACIVSA-N 2 2 287.473 0.688 20 0 CCADLP C[C@@H](C(=O)NCCC[C@@H]1CCC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000563159255 291201086 /nfs/dbraw/zinc/20/10/86/291201086.db2.gz GXWGCGVAEBDVCM-KBPBESRZSA-N 2 2 282.432 0.271 20 0 CCADLP CN1CC[NH+](CCCSC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000592359022 359824243 /nfs/dbraw/zinc/82/42/43/359824243.db2.gz MWEXEUOJAFRTLZ-CQSZACIVSA-N 2 2 287.473 0.688 20 0 CCADLP CN1CC[NH+](CCCSC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000592359022 359824247 /nfs/dbraw/zinc/82/42/47/359824247.db2.gz MWEXEUOJAFRTLZ-CQSZACIVSA-N 2 2 287.473 0.688 20 0 CCADLP C[NH+]1CCN(CCCSC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000592359022 359824256 /nfs/dbraw/zinc/82/42/56/359824256.db2.gz MWEXEUOJAFRTLZ-CQSZACIVSA-N 2 2 287.473 0.688 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[NH+]1CCC(C)([NH3+])CC1)C(=O)OC ZINC000592484979 359852965 /nfs/dbraw/zinc/85/29/65/359852965.db2.gz LTKFZFDNTDQMGI-AAEUAGOBSA-N 2 2 299.415 0.504 20 0 CCADLP COC(=O)C1CCN(C(=O)C[NH+]2CCC(C)([NH3+])CC2)CC1 ZINC000592485764 359852999 /nfs/dbraw/zinc/85/29/99/359852999.db2.gz YELCYJAHJAQLJQ-UHFFFAOYSA-N 2 2 297.399 0.211 20 0 CCADLP C[NH2+]C1CC[NH+](CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000430972192 283497302 /nfs/dbraw/zinc/49/73/02/283497302.db2.gz RKINCJKBLRQJRA-UHFFFAOYSA-N 2 2 294.399 0.535 20 0 CCADLP C[NH2+]CC(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000193132031 283500830 /nfs/dbraw/zinc/50/08/30/283500830.db2.gz VGJNFXYOCLYGAJ-LBPRGKRZSA-N 2 2 297.424 0.765 20 0 CCADLP COCC[NH2+]C1CC[NH+](Cc2c[nH]nc2C)CC1 ZINC000563231492 291208189 /nfs/dbraw/zinc/20/81/89/291208189.db2.gz JWPLJHJPCIJARL-UHFFFAOYSA-N 2 2 252.362 0.919 20 0 CCADLP CC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H](C)[NH2+]1 ZINC000620899736 366596750 /nfs/dbraw/zinc/59/67/50/366596750.db2.gz QUXZZTCSVIIIPC-WDEREUQCSA-N 2 2 250.346 0.562 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000620974664 366610786 /nfs/dbraw/zinc/61/07/86/366610786.db2.gz MIECEZZQRBUGLD-AWEZNQCLSA-N 2 2 294.399 0.532 20 0 CCADLP CSC[C@H]1CCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593906785 360203560 /nfs/dbraw/zinc/20/35/60/360203560.db2.gz JXUBFSNXBUCVSB-GHMZBOCLSA-N 2 2 259.419 0.619 20 0 CCADLP CC[N@H+](CC[NH2+]C[C@H]1CNc2ccnn2C1)C1CC1 ZINC000595148528 360445139 /nfs/dbraw/zinc/44/51/39/360445139.db2.gz YESIRUVXQVQVCM-LBPRGKRZSA-N 2 2 263.389 0.999 20 0 CCADLP CC[N@@H+](CC[NH2+]C[C@H]1CNc2ccnn2C1)C1CC1 ZINC000595148528 360445144 /nfs/dbraw/zinc/44/51/44/360445144.db2.gz YESIRUVXQVQVCM-LBPRGKRZSA-N 2 2 263.389 0.999 20 0 CCADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@@H](C)C[NH2+]C)C2)CC1 ZINC000595275557 360473568 /nfs/dbraw/zinc/47/35/68/360473568.db2.gz ODGYBKPKPFHXKR-UONOGXRCSA-N 2 2 297.447 0.016 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)n1C ZINC000563441127 291230217 /nfs/dbraw/zinc/23/02/17/291230217.db2.gz VUYKGNNKYDQUFV-AAEUAGOBSA-N 2 2 269.389 0.976 20 0 CCADLP COC[C@@]1(C(=O)OC)CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000595809736 360664030 /nfs/dbraw/zinc/66/40/30/360664030.db2.gz YRTHGYCIAOGJQH-CYBMUJFWSA-N 2 2 267.329 0.537 20 0 CCADLP COC[C@@]1(C(=O)OC)CCC[N@H+]1CCn1cc[nH+]c1 ZINC000595809736 360664037 /nfs/dbraw/zinc/66/40/37/360664037.db2.gz YRTHGYCIAOGJQH-CYBMUJFWSA-N 2 2 267.329 0.537 20 0 CCADLP COC(=O)CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CCCCC1 ZINC000595965155 360740625 /nfs/dbraw/zinc/74/06/25/360740625.db2.gz NKKAGOZUHMHCJL-ZDUSSCGKSA-N 2 2 299.415 0.600 20 0 CCADLP Cc1ncc(C[NH+]2CCN(C(=O)[C@@H]3CC[NH2+]C3)CC2)s1 ZINC000178884103 189152788 /nfs/dbraw/zinc/15/27/88/189152788.db2.gz CZNFAOIGDPIWMH-GFCCVEGCSA-N 2 2 294.424 0.705 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000563570165 291238295 /nfs/dbraw/zinc/23/82/95/291238295.db2.gz WZJXNVGSYAMPEL-MCIONIFRSA-N 2 2 296.415 0.101 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000563570165 291238297 /nfs/dbraw/zinc/23/82/97/291238297.db2.gz WZJXNVGSYAMPEL-MCIONIFRSA-N 2 2 296.415 0.101 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCCC2(C)C)[C@@H](C[NH3+])C1 ZINC000563588509 291239269 /nfs/dbraw/zinc/23/92/69/291239269.db2.gz ASTDIIRXFBSYBY-RYUDHWBXSA-N 2 2 268.405 0.849 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@H]2CCCC2(C)C)[C@@H](C[NH3+])C1 ZINC000563588509 291239272 /nfs/dbraw/zinc/23/92/72/291239272.db2.gz ASTDIIRXFBSYBY-RYUDHWBXSA-N 2 2 268.405 0.849 20 0 CCADLP Cc1cc(NC(=O)C[N@H+](C)CCn2cc[nH+]c2)no1 ZINC000179191349 189176216 /nfs/dbraw/zinc/17/62/16/189176216.db2.gz CEEOEISISJTGDQ-UHFFFAOYSA-N 2 2 263.301 0.750 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+](C)CCn2cc[nH+]c2)no1 ZINC000179191349 189176217 /nfs/dbraw/zinc/17/62/17/189176217.db2.gz CEEOEISISJTGDQ-UHFFFAOYSA-N 2 2 263.301 0.750 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@H](C2CC2)C2CCC2)[C@@H](C[NH3+])C1 ZINC000563606940 291241330 /nfs/dbraw/zinc/24/13/30/291241330.db2.gz YWRCFVDWOACFRU-KBPBESRZSA-N 2 2 280.416 0.849 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@H](C2CC2)C2CCC2)[C@@H](C[NH3+])C1 ZINC000563606940 291241331 /nfs/dbraw/zinc/24/13/31/291241331.db2.gz YWRCFVDWOACFRU-KBPBESRZSA-N 2 2 280.416 0.849 20 0 CCADLP CO[C@H]1C[C@@H](CN(C)C(=O)C=Cc2c[nH]c[nH+]2)[N@@H+](C)C1 ZINC000493689035 238298079 /nfs/dbraw/zinc/29/80/79/238298079.db2.gz QHUSHZYJUKLFCY-AIMRDXAKSA-N 2 2 278.356 0.600 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCc2cccs2)[C@@H](C[NH3+])C1 ZINC000563693114 291246649 /nfs/dbraw/zinc/24/66/49/291246649.db2.gz UUBZQGWJVHULPA-NSHDSACASA-N 2 2 282.413 0.575 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCc2cccs2)[C@@H](C[NH3+])C1 ZINC000563693114 291246650 /nfs/dbraw/zinc/24/66/50/291246650.db2.gz UUBZQGWJVHULPA-NSHDSACASA-N 2 2 282.413 0.575 20 0 CCADLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000563709397 291248246 /nfs/dbraw/zinc/24/82/46/291248246.db2.gz SXRBLJRSJMITGQ-WFASDCNBSA-N 3 2 280.416 0.872 20 0 CCADLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000563709397 291248247 /nfs/dbraw/zinc/24/82/47/291248247.db2.gz SXRBLJRSJMITGQ-WFASDCNBSA-N 3 2 280.416 0.872 20 0 CCADLP CCN(CC(F)(F)F)C(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000631823584 370690565 /nfs/dbraw/zinc/69/05/65/370690565.db2.gz ITYABWIBIXRCFW-UHFFFAOYSA-N 2 2 267.295 0.868 20 0 CCADLP COC[C@@H](C)[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000631827755 370694020 /nfs/dbraw/zinc/69/40/20/370694020.db2.gz WCCLMZYEYITDJB-LLVKDONJSA-N 2 2 279.388 0.596 20 0 CCADLP O=C1[C@@H]([N@@H+]2CC[C@]3(CC[NH2+]C3)C2)CCN1C1CCC1 ZINC000631823338 370688710 /nfs/dbraw/zinc/68/87/10/370688710.db2.gz BRATUGWROHBWDH-ZFWWWQNUSA-N 2 2 263.385 0.825 20 0 CCADLP O=C1[C@@H]([N@H+]2CC[C@]3(CC[NH2+]C3)C2)CCN1C1CCC1 ZINC000631823338 370688718 /nfs/dbraw/zinc/68/87/18/370688718.db2.gz BRATUGWROHBWDH-ZFWWWQNUSA-N 2 2 263.385 0.825 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCC2CC(O)C2)C[C@H](C)O1 ZINC000564210695 291270488 /nfs/dbraw/zinc/27/04/88/291270488.db2.gz HZPGJECSVOQYLG-MMFDQKDXSA-N 2 2 286.416 0.207 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCC2CC(O)C2)C[C@H](C)O1 ZINC000564210695 291270490 /nfs/dbraw/zinc/27/04/90/291270490.db2.gz HZPGJECSVOQYLG-MMFDQKDXSA-N 2 2 286.416 0.207 20 0 CCADLP Cc1cc[nH+]c(NC[C@](C)(O)C[NH+]2CCOCC2)c1 ZINC000301737934 201168357 /nfs/dbraw/zinc/16/83/57/201168357.db2.gz CFNWZHITYLRIDW-AWEZNQCLSA-N 2 2 265.357 0.885 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O)C1CC1 ZINC000564390265 291277661 /nfs/dbraw/zinc/27/76/61/291277661.db2.gz KWVWMAFIOGMFOD-DEQVHRJGSA-N 2 2 281.400 0.027 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O)C1CC1 ZINC000564390265 291277663 /nfs/dbraw/zinc/27/76/63/291277663.db2.gz KWVWMAFIOGMFOD-DEQVHRJGSA-N 2 2 281.400 0.027 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O)C1CC1 ZINC000564390265 291277666 /nfs/dbraw/zinc/27/76/66/291277666.db2.gz KWVWMAFIOGMFOD-DEQVHRJGSA-N 2 2 281.400 0.027 20 0 CCADLP CCOC(=O)C[C@@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000599305920 361645043 /nfs/dbraw/zinc/64/50/43/361645043.db2.gz CLQJVLZWGVZEKP-GFCCVEGCSA-N 2 2 281.356 0.903 20 0 CCADLP CCOC(=O)C[C@@H](O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000599339833 361660513 /nfs/dbraw/zinc/66/05/13/361660513.db2.gz NHFRCBOMUVLKDU-VXGBXAGGSA-N 2 2 281.356 0.524 20 0 CCADLP CCOC(=O)C[C@@H](O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000599339833 361660521 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/nfs/dbraw/zinc/35/09/79/291350979.db2.gz XHTLYIVMSFRRCT-XQQFMLRXSA-N 2 2 260.378 0.035 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000565189647 291355052 /nfs/dbraw/zinc/35/50/52/291355052.db2.gz IBEQJENSRFOPSD-NSHDSACASA-N 2 2 288.355 0.660 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000565189647 291355054 /nfs/dbraw/zinc/35/50/54/291355054.db2.gz IBEQJENSRFOPSD-NSHDSACASA-N 2 2 288.355 0.660 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000617010275 365516254 /nfs/dbraw/zinc/51/62/54/365516254.db2.gz MKGVFVMKQXTOMK-LLVKDONJSA-N 2 2 264.373 0.952 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000617010275 365516263 /nfs/dbraw/zinc/51/62/63/365516263.db2.gz MKGVFVMKQXTOMK-LLVKDONJSA-N 2 2 264.373 0.952 20 0 CCADLP Cc1ccc(NC(=O)C(=O)N(C)CCC[NH3+])c(C)[nH+]1 ZINC000565251997 291367127 /nfs/dbraw/zinc/36/71/27/291367127.db2.gz YNPAFPXYORTDIM-UHFFFAOYSA-N 2 2 264.329 0.444 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3ccncc3Cl)CCN2C1=O ZINC000565238378 291365691 /nfs/dbraw/zinc/36/56/91/291365691.db2.gz HGGWTKHVPSUOTJ-ZYHUDNBSSA-N 2 2 280.759 0.479 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3ccncc3Cl)CCN2C1=O ZINC000565238378 291365692 /nfs/dbraw/zinc/36/56/92/291365692.db2.gz HGGWTKHVPSUOTJ-ZYHUDNBSSA-N 2 2 280.759 0.479 20 0 CCADLP CC[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)[C@@H](C)O ZINC000622144508 367057902 /nfs/dbraw/zinc/05/79/02/367057902.db2.gz KFJUXNHXBDVUFO-OLZOCXBDSA-N 2 2 273.421 0.393 20 0 CCADLP CC[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)[C@@H](C)O ZINC000622144508 367057906 /nfs/dbraw/zinc/05/79/06/367057906.db2.gz KFJUXNHXBDVUFO-OLZOCXBDSA-N 2 2 273.421 0.393 20 0 CCADLP C[N@@H+]1CCN(C(=O)COc2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000566200320 291374702 /nfs/dbraw/zinc/37/47/02/291374702.db2.gz OGKAYOJUTFWHRT-GFCCVEGCSA-N 2 2 281.331 0.306 20 0 CCADLP C[N@H+]1CCN(C(=O)COc2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000566200320 291374703 /nfs/dbraw/zinc/37/47/03/291374703.db2.gz OGKAYOJUTFWHRT-GFCCVEGCSA-N 2 2 281.331 0.306 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2ccc3c(c2)OCO3)[C@@H](C[NH3+])C1 ZINC000566200524 291374877 /nfs/dbraw/zinc/37/48/77/291374877.db2.gz YQQGXTKBCAUZQK-LBPRGKRZSA-N 2 2 291.351 0.059 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2ccc3c(c2)OCO3)[C@@H](C[NH3+])C1 ZINC000566200524 291374878 /nfs/dbraw/zinc/37/48/78/291374878.db2.gz YQQGXTKBCAUZQK-LBPRGKRZSA-N 2 2 291.351 0.059 20 0 CCADLP C1C[NH2+]C[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000566230175 291379754 /nfs/dbraw/zinc/37/97/54/291379754.db2.gz OLVZTEGNJXOGDT-SHARSMKWSA-N 3 2 266.433 0.544 20 0 CCADLP C1C[NH2+]C[C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C1 ZINC000566230175 291379755 /nfs/dbraw/zinc/37/97/55/291379755.db2.gz OLVZTEGNJXOGDT-SHARSMKWSA-N 3 2 266.433 0.544 20 0 CCADLP CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@@H](C[NH3+])C1CC1 ZINC000623179473 367467198 /nfs/dbraw/zinc/46/71/98/367467198.db2.gz OTEZAIQMQJEFKH-RYUDHWBXSA-N 2 2 262.357 0.641 20 0 CCADLP C[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@@H]1C[NH3+] ZINC000623179411 367467487 /nfs/dbraw/zinc/46/74/87/367467487.db2.gz MUAKOYXKKXZSQC-UPJWGTAASA-N 2 2 276.384 0.889 20 0 CCADLP C[C@@](C[NH3+])(NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000623176324 367464265 /nfs/dbraw/zinc/46/42/65/367464265.db2.gz VBJPVXRWZLDFAX-YGRLFVJLSA-N 2 2 262.357 0.689 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623176344 367464339 /nfs/dbraw/zinc/46/43/39/367464339.db2.gz WBKXPYZIVIJUOD-GHMZBOCLSA-N 2 2 250.346 0.545 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623176339 367464370 /nfs/dbraw/zinc/46/43/70/367464370.db2.gz VRSZNUOHPMUBGW-VXGBXAGGSA-N 2 2 264.373 0.935 20 0 CCADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623178631 367466033 /nfs/dbraw/zinc/46/60/33/367466033.db2.gz ZCBVNIXIAYJHNZ-QJPTWQEYSA-N 2 2 262.357 0.654 20 0 CCADLP [NH3+]CC[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(F)(F)F ZINC000623178698 367466344 /nfs/dbraw/zinc/46/63/44/367466344.db2.gz AJLPHPVHUOPNPD-BDAKNGLRSA-N 2 2 290.289 0.841 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623381415 367551149 /nfs/dbraw/zinc/55/11/49/367551149.db2.gz SITLXUCDFYIENB-CYBMUJFWSA-N 3 2 282.432 0.223 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623381415 367551155 /nfs/dbraw/zinc/55/11/55/367551155.db2.gz SITLXUCDFYIENB-CYBMUJFWSA-N 3 2 282.432 0.223 20 0 CCADLP C[NH+]1CCN(C(=O)CN[C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623381415 367551160 /nfs/dbraw/zinc/55/11/60/367551160.db2.gz SITLXUCDFYIENB-CYBMUJFWSA-N 2 2 282.432 0.223 20 0 CCADLP C[NH+]1CCN(C(=O)CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623381415 367551167 /nfs/dbraw/zinc/55/11/67/367551167.db2.gz SITLXUCDFYIENB-CYBMUJFWSA-N 2 2 282.432 0.223 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CCO1 ZINC000623618986 367605179 /nfs/dbraw/zinc/60/51/79/367605179.db2.gz NFXXWJRENMLQGU-AVGNSLFASA-N 2 2 269.389 0.483 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CCO1 ZINC000623618986 367605184 /nfs/dbraw/zinc/60/51/84/367605184.db2.gz NFXXWJRENMLQGU-AVGNSLFASA-N 2 2 269.389 0.483 20 0 CCADLP CC[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CCO1 ZINC000623619690 367605357 /nfs/dbraw/zinc/60/53/57/367605357.db2.gz SFUILSBVGJZNRQ-MCIONIFRSA-N 2 2 283.416 0.873 20 0 CCADLP CC[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CCO1 ZINC000623619690 367605361 /nfs/dbraw/zinc/60/53/61/367605361.db2.gz SFUILSBVGJZNRQ-MCIONIFRSA-N 2 2 283.416 0.873 20 0 CCADLP COCCNC(=O)C1([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623548408 367590781 /nfs/dbraw/zinc/59/07/81/367590781.db2.gz UGDFBPRLAQWNOL-LBPRGKRZSA-N 2 2 283.416 0.744 20 0 CCADLP COCCNC(=O)C1([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623548408 367590784 /nfs/dbraw/zinc/59/07/84/367590784.db2.gz UGDFBPRLAQWNOL-LBPRGKRZSA-N 2 2 283.416 0.744 20 0 CCADLP Cc1cccc(C[NH+]2CCN(c3nc(N)[nH+]c(N)n3)CC2)c1 ZINC000623803452 367663686 /nfs/dbraw/zinc/66/36/86/367663686.db2.gz GNXWAQJXEPWGOK-UHFFFAOYSA-N 2 2 299.382 0.327 20 0 CCADLP NC(=O)[C@@H]1CN(c2nc3ccccc3n3c[nH+]cc23)CC[NH2+]1 ZINC000623827846 367669618 /nfs/dbraw/zinc/66/96/18/367669618.db2.gz YWVCLHQDOQXXJF-NSHDSACASA-N 2 2 296.334 0.146 20 0 CCADLP CNC(=O)c1ccc(C[NH2+]CC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000623836657 367673155 /nfs/dbraw/zinc/67/31/55/367673155.db2.gz DNUQWQDICUZGKI-AWEZNQCLSA-N 2 2 277.368 0.202 20 0 CCADLP CNC(=O)c1ccc(C[NH2+]CC[N@H+]2CC[C@H](O)C2)cc1 ZINC000623836657 367673160 /nfs/dbraw/zinc/67/31/60/367673160.db2.gz DNUQWQDICUZGKI-AWEZNQCLSA-N 2 2 277.368 0.202 20 0 CCADLP CC[N@@H+]1CC[C@@H](N(C)c2nc(N)nc(N)[nH+]2)C[C@H]1C ZINC000623988378 367717941 /nfs/dbraw/zinc/71/79/41/367717941.db2.gz HDYKKTKNPHRLRZ-RKDXNWHRSA-N 2 2 265.365 0.006 20 0 CCADLP CC[N@H+]1CC[C@@H](N(C)c2nc(N)nc(N)[nH+]2)C[C@H]1C ZINC000623988378 367717944 /nfs/dbraw/zinc/71/79/44/367717944.db2.gz HDYKKTKNPHRLRZ-RKDXNWHRSA-N 2 2 265.365 0.006 20 0 CCADLP COc1cccc(C[C@@H](C)[NH2+]CC[N@@H+]2CC[C@@H](O)C2)n1 ZINC000624230251 367796534 /nfs/dbraw/zinc/79/65/34/367796534.db2.gz SEECUUCAQUSLTH-TZMCWYRMSA-N 2 2 279.384 0.677 20 0 CCADLP COc1cccc(C[C@@H](C)[NH2+]CC[N@H+]2CC[C@@H](O)C2)n1 ZINC000624230251 367796536 /nfs/dbraw/zinc/79/65/36/367796536.db2.gz SEECUUCAQUSLTH-TZMCWYRMSA-N 2 2 279.384 0.677 20 0 CCADLP NC(=O)C[C@H]1C[N@@H+](C2CC[NH+](CC3CC3)CC2)CCO1 ZINC000624252245 367808763 /nfs/dbraw/zinc/80/87/63/367808763.db2.gz CSYSHDWKWNOYOZ-AWEZNQCLSA-N 2 2 281.400 0.437 20 0 CCADLP NC(=O)C[C@H]1C[N@H+](C2CC[NH+](CC3CC3)CC2)CCO1 ZINC000624252245 367808765 /nfs/dbraw/zinc/80/87/65/367808765.db2.gz CSYSHDWKWNOYOZ-AWEZNQCLSA-N 2 2 281.400 0.437 20 0 CCADLP C[C@@H](CC1CCOCC1)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624335518 367835976 /nfs/dbraw/zinc/83/59/76/367835976.db2.gz UHJPTLSDTFYTRY-JSGCOSHPSA-N 2 2 256.390 0.848 20 0 CCADLP C[C@@H](CC1CCOCC1)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624335518 367835980 /nfs/dbraw/zinc/83/59/80/367835980.db2.gz UHJPTLSDTFYTRY-JSGCOSHPSA-N 2 2 256.390 0.848 20 0 CCADLP Cc1nc(NC[C@@H]2CCCC[N@H+](C)C2)nc(N(C)C)[nH+]1 ZINC000624536441 367916231 /nfs/dbraw/zinc/91/62/31/367916231.db2.gz PUWYVOFTHAUXNC-LBPRGKRZSA-N 2 2 278.404 0.812 20 0 CCADLP Cc1nc(NC[C@@H]2CCCC[N@@H+](C)C2)nc(N(C)C)[nH+]1 ZINC000624536441 367916235 /nfs/dbraw/zinc/91/62/35/367916235.db2.gz PUWYVOFTHAUXNC-LBPRGKRZSA-N 2 2 278.404 0.812 20 0 CCADLP Cc1nc(N(C)C)nc(NC[C@@H]2CCCC[N@H+](C)C2)[nH+]1 ZINC000624536441 367916244 /nfs/dbraw/zinc/91/62/44/367916244.db2.gz PUWYVOFTHAUXNC-LBPRGKRZSA-N 2 2 278.404 0.812 20 0 CCADLP Cc1nc(N(C)C)nc(NC[C@@H]2CCCC[N@@H+](C)C2)[nH+]1 ZINC000624536441 367916249 /nfs/dbraw/zinc/91/62/49/367916249.db2.gz PUWYVOFTHAUXNC-LBPRGKRZSA-N 2 2 278.404 0.812 20 0 CCADLP Cn1c2cc(F)ccc2[nH+]c1NC[C@H]1COCC[N@@H+]1C ZINC000624621461 367932519 /nfs/dbraw/zinc/93/25/19/367932519.db2.gz AHEBCVICANURFM-NSHDSACASA-N 2 2 278.331 0.877 20 0 CCADLP Cn1c2cc(F)ccc2[nH+]c1NC[C@H]1COCC[N@H+]1C ZINC000624621461 367932525 /nfs/dbraw/zinc/93/25/25/367932525.db2.gz AHEBCVICANURFM-NSHDSACASA-N 2 2 278.331 0.877 20 0 CCADLP O[C@H]1CC[N@H+](CCNc2cc[nH+]c3ccncc23)C1 ZINC000624772685 367988766 /nfs/dbraw/zinc/98/87/66/367988766.db2.gz CHZFFJHQAFFETN-NSHDSACASA-N 2 2 258.325 0.530 20 0 CCADLP O[C@H]1CC[N@@H+](CCNc2cc[nH+]c3ccncc23)C1 ZINC000624772685 367988776 /nfs/dbraw/zinc/98/87/76/367988776.db2.gz CHZFFJHQAFFETN-NSHDSACASA-N 2 2 258.325 0.530 20 0 CCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000624731164 367972115 /nfs/dbraw/zinc/97/21/15/367972115.db2.gz FVIBPFRINIYOKE-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000624731164 367972117 /nfs/dbraw/zinc/97/21/17/367972117.db2.gz FVIBPFRINIYOKE-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP CC(C)(C)n1nnc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])n1 ZINC000656200762 412764691 /nfs/dbraw/zinc/76/46/91/412764691.db2.gz PXOXIVQVQBRIIF-ZJUUUORDSA-N 2 2 252.366 0.645 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CO)C[C@H]1C ZINC000626121561 368448187 /nfs/dbraw/zinc/44/81/87/368448187.db2.gz MQNBTFGMJPMCMY-MGPQQGTHSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CO)C[C@H]1C ZINC000626121561 368448193 /nfs/dbraw/zinc/44/81/93/368448193.db2.gz MQNBTFGMJPMCMY-MGPQQGTHSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](CO)C[C@H]1C ZINC000626121561 368448202 /nfs/dbraw/zinc/44/82/02/368448202.db2.gz MQNBTFGMJPMCMY-MGPQQGTHSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](CO)C[C@H]1C ZINC000626121561 368448209 /nfs/dbraw/zinc/44/82/09/368448209.db2.gz MQNBTFGMJPMCMY-MGPQQGTHSA-N 2 2 274.405 0.018 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cnn(C)c1 ZINC000268929731 296123622 /nfs/dbraw/zinc/12/36/22/296123622.db2.gz QMNJKMPDMVSIIH-YPMHNXCESA-N 2 2 279.388 0.411 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cnn(C)c1 ZINC000268929731 296123623 /nfs/dbraw/zinc/12/36/23/296123623.db2.gz QMNJKMPDMVSIIH-YPMHNXCESA-N 2 2 279.388 0.411 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000626939921 368689651 /nfs/dbraw/zinc/68/96/51/368689651.db2.gz PHGCZLNNMNPCBA-YUELXQCFSA-N 2 2 291.399 0.913 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1[nH+]ccn1C ZINC000626968527 368700733 /nfs/dbraw/zinc/70/07/33/368700733.db2.gz IKPQGMQCGSFOLW-VHSXEESVSA-N 2 2 251.334 0.360 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)NCC[N@@H+]2CCOCC2(C)C)C[NH2+]1 ZINC000626969551 368701999 /nfs/dbraw/zinc/70/19/99/368701999.db2.gz YMJMLBJELZGKAA-CHWSQXEVSA-N 2 2 298.431 0.537 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)NCC[N@H+]2CCOCC2(C)C)C[NH2+]1 ZINC000626969551 368702007 /nfs/dbraw/zinc/70/20/07/368702007.db2.gz YMJMLBJELZGKAA-CHWSQXEVSA-N 2 2 298.431 0.537 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000626970329 368703792 /nfs/dbraw/zinc/70/37/92/368703792.db2.gz LXVYQNNASDNXOR-RWMBFGLXSA-N 2 2 284.404 0.147 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000626970329 368703795 /nfs/dbraw/zinc/70/37/95/368703795.db2.gz LXVYQNNASDNXOR-RWMBFGLXSA-N 2 2 284.404 0.147 20 0 CCADLP CCN(CC[NH3+])C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000626938454 368687917 /nfs/dbraw/zinc/68/79/17/368687917.db2.gz DMPZXLIKQXUPBQ-UHFFFAOYSA-N 2 2 279.388 0.752 20 0 CCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632174169 370905956 /nfs/dbraw/zinc/90/59/56/370905956.db2.gz SSDZKAJNUORDLT-VXGBXAGGSA-N 2 2 289.445 0.435 20 0 CCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632174169 370905959 /nfs/dbraw/zinc/90/59/59/370905959.db2.gz SSDZKAJNUORDLT-VXGBXAGGSA-N 2 2 289.445 0.435 20 0 CCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1S(=O)(=O)CCC[NH+](C)C ZINC000632174315 370906030 /nfs/dbraw/zinc/90/60/30/370906030.db2.gz WOHLHFNVFFBKIN-VXGBXAGGSA-N 2 2 277.434 0.292 20 0 CCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1S(=O)(=O)CCC[NH+](C)C ZINC000632174315 370906034 /nfs/dbraw/zinc/90/60/34/370906034.db2.gz WOHLHFNVFFBKIN-VXGBXAGGSA-N 2 2 277.434 0.292 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)NCCc2cn(C)c[nH+]2)C[NH2+]1 ZINC000627057451 368760746 /nfs/dbraw/zinc/76/07/46/368760746.db2.gz ISEQQUYGFHOGAB-GHMZBOCLSA-N 2 2 265.361 0.402 20 0 CCADLP CCCC[C@@H](C[NH3+])NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627079491 368777479 /nfs/dbraw/zinc/77/74/79/368777479.db2.gz JBGLSRKTSXVSSW-RYUDHWBXSA-N 2 2 272.393 0.134 20 0 CCADLP CCCC[C@@H](C[NH3+])NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000627079491 368777485 /nfs/dbraw/zinc/77/74/85/368777485.db2.gz JBGLSRKTSXVSSW-RYUDHWBXSA-N 2 2 272.393 0.134 20 0 CCADLP O=C(N[C@@H]1CC[NH2+]C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000627248069 368913590 /nfs/dbraw/zinc/91/35/90/368913590.db2.gz FYVAZZHTVYTPDO-WDEREUQCSA-N 2 2 263.345 0.661 20 0 CCADLP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)[C@H]1CCCC[NH2+]1 ZINC000422745490 296131179 /nfs/dbraw/zinc/13/11/79/296131179.db2.gz VGUHAHIJLIHSDL-RRFJBIMHSA-N 3 2 268.449 0.743 20 0 CCADLP Cc1[nH+]c2cc(NC(=O)[C@H]3C[C@H](O)C[NH2+]3)ccc2n1C ZINC000574329101 335010995 /nfs/dbraw/zinc/01/09/95/335010995.db2.gz ZBSINEPUYVDGPQ-CMPLNLGQSA-N 2 2 274.324 0.543 20 0 CCADLP Cc1[nH]c(CN(CCO)C2CC[NH+](C)CC2)[nH+]c1C ZINC000628117585 369183786 /nfs/dbraw/zinc/18/37/86/369183786.db2.gz ONCACZWOBKROAK-UHFFFAOYSA-N 2 2 266.389 0.915 20 0 CCADLP Cc1[nH]c(CN2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)[nH+]c1C ZINC000628255734 369224808 /nfs/dbraw/zinc/22/48/08/369224808.db2.gz VYHZIFCTMPRVOB-GHMZBOCLSA-N 2 2 266.389 0.913 20 0 CCADLP Cc1[nH]c(CN2CC[N@H+](C[C@@H](C)O)C[C@H]2C)[nH+]c1C ZINC000628255734 369224811 /nfs/dbraw/zinc/22/48/11/369224811.db2.gz VYHZIFCTMPRVOB-GHMZBOCLSA-N 2 2 266.389 0.913 20 0 CCADLP Cc1c[nH]c(CN2C[C@H](C)[N@@H+](CCO)C[C@H]2C)[nH+]1 ZINC000628314039 369240187 /nfs/dbraw/zinc/24/01/87/369240187.db2.gz KWVDHTXNMHVMDY-NWDGAFQWSA-N 2 2 252.362 0.605 20 0 CCADLP Cc1c[nH]c(CN2C[C@H](C)[N@H+](CCO)C[C@H]2C)[nH+]1 ZINC000628314039 369240191 /nfs/dbraw/zinc/24/01/91/369240191.db2.gz KWVDHTXNMHVMDY-NWDGAFQWSA-N 2 2 252.362 0.605 20 0 CCADLP CCOc1cc(C[NH2+]CC[N@H+]2CC[C@H](O)C2)ccc1O ZINC000628497984 369279306 /nfs/dbraw/zinc/27/93/06/369279306.db2.gz CCCABFZVHIPUIK-ZDUSSCGKSA-N 2 2 280.368 0.947 20 0 CCADLP C[C@H](Cc1ccc(O)cc1)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000628464740 369271206 /nfs/dbraw/zinc/27/12/06/369271206.db2.gz HMAWLYSOHLRQRJ-IUODEOHRSA-N 2 2 264.369 0.979 20 0 CCADLP C[C@H](Cc1ccc(O)cc1)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000628464740 369271210 /nfs/dbraw/zinc/27/12/10/369271210.db2.gz HMAWLYSOHLRQRJ-IUODEOHRSA-N 2 2 264.369 0.979 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@H]1COCC[NH+]1C ZINC000628917694 369458076 /nfs/dbraw/zinc/45/80/76/369458076.db2.gz ODZJBBJLHVQLGC-FRRDWIJNSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@@H]1COCC[NH+]1C ZINC000628917694 369458080 /nfs/dbraw/zinc/45/80/80/369458080.db2.gz ODZJBBJLHVQLGC-FRRDWIJNSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628917694 369458085 /nfs/dbraw/zinc/45/80/85/369458085.db2.gz ODZJBBJLHVQLGC-FRRDWIJNSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628917694 369458091 /nfs/dbraw/zinc/45/80/91/369458091.db2.gz ODZJBBJLHVQLGC-FRRDWIJNSA-N 2 2 269.389 0.306 20 0 CCADLP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2COCC[N@@H+]2C)cc1 ZINC000628923413 369471470 /nfs/dbraw/zinc/47/14/70/369471470.db2.gz VGGUHVYHFPWDFM-HNNXBMFYSA-N 2 2 291.395 0.809 20 0 CCADLP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2COCC[N@H+]2C)cc1 ZINC000628923413 369471473 /nfs/dbraw/zinc/47/14/73/369471473.db2.gz VGGUHVYHFPWDFM-HNNXBMFYSA-N 2 2 291.395 0.809 20 0 CCADLP C[NH2+]CCOCC[N@H+](C)CC(=O)Nc1ccccc1OC ZINC000629566408 369712679 /nfs/dbraw/zinc/71/26/79/369712679.db2.gz JZNMWNCOYOCEOR-UHFFFAOYSA-N 2 2 295.383 0.802 20 0 CCADLP C[NH2+]CCOCC[N@@H+](C)CC(=O)Nc1ccccc1OC ZINC000629566408 369712683 /nfs/dbraw/zinc/71/26/83/369712683.db2.gz JZNMWNCOYOCEOR-UHFFFAOYSA-N 2 2 295.383 0.802 20 0 CCADLP C[NH2+]CCOCC[N@H+](C)Cc1nccc(OC)c1OC ZINC000629571811 369716147 /nfs/dbraw/zinc/71/61/47/369716147.db2.gz JITPAUJKCOLWKX-UHFFFAOYSA-N 2 2 283.372 0.767 20 0 CCADLP C[NH2+]CCOCC[N@@H+](C)Cc1nccc(OC)c1OC ZINC000629571811 369716150 /nfs/dbraw/zinc/71/61/50/369716150.db2.gz JITPAUJKCOLWKX-UHFFFAOYSA-N 2 2 283.372 0.767 20 0 CCADLP C[C@H]1C[N@H+](CCC[NH2+]C[C@@H](O)C[NH+]2CCCC2)CCCO1 ZINC000629576100 369718944 /nfs/dbraw/zinc/71/89/44/369718944.db2.gz RNQPLWITQKZHKG-JKSUJKDBSA-N 3 2 299.459 0.534 20 0 CCADLP C[C@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)C[NH+]2CCCC2)CCCO1 ZINC000629576100 369718948 /nfs/dbraw/zinc/71/89/48/369718948.db2.gz RNQPLWITQKZHKG-JKSUJKDBSA-N 3 2 299.459 0.534 20 0 CCADLP CCO[C@@H](C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C1CC1 ZINC000629518225 369689092 /nfs/dbraw/zinc/68/90/92/369689092.db2.gz JHYVHUCOZKGOLD-CABCVRRESA-N 2 2 295.427 0.698 20 0 CCADLP CCO[C@@H](C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C1CC1 ZINC000629518225 369689095 /nfs/dbraw/zinc/68/90/95/369689095.db2.gz JHYVHUCOZKGOLD-CABCVRRESA-N 2 2 295.427 0.698 20 0 CCADLP Cc1cccn2c(C[NH2+]Cc3nc(C[NH3+])cc(=O)[nH]3)cnc12 ZINC000629653036 369747464 /nfs/dbraw/zinc/74/74/64/369747464.db2.gz KWXVUODGSPTXBM-UHFFFAOYSA-N 2 2 298.350 0.887 20 0 CCADLP Cn1ncc(Cl)c1C[NH2+]CC1([NH3+])CCOCC1 ZINC000629652984 369747540 /nfs/dbraw/zinc/74/75/40/369747540.db2.gz CYOTWKYLRPTOOQ-UHFFFAOYSA-N 2 2 258.753 0.671 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCc2c(O)cccc2C1 ZINC000629582066 369726362 /nfs/dbraw/zinc/72/63/62/369726362.db2.gz NCBIUFVXVPIORC-CQSZACIVSA-N 2 2 250.342 0.721 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCc2c(O)cccc2C1 ZINC000629582066 369726364 /nfs/dbraw/zinc/72/63/64/369726364.db2.gz NCBIUFVXVPIORC-CQSZACIVSA-N 2 2 250.342 0.721 20 0 CCADLP C(O[C@H]1CC[NH2+]C1)C1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000629591628 369732925 /nfs/dbraw/zinc/73/29/25/369732925.db2.gz LHQJVYUONLQXDA-GJZGRUSLSA-N 3 2 283.416 0.065 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000276592445 193392918 /nfs/dbraw/zinc/39/29/18/193392918.db2.gz NIZFGCSTXKFHEV-ZDUSSCGKSA-N 2 2 280.372 0.257 20 0 CCADLP CCOC[C@H](O)C[NH2+]CCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000629594437 369734316 /nfs/dbraw/zinc/73/43/16/369734316.db2.gz SGAGNBZSFQNMLF-CYBMUJFWSA-N 2 2 296.415 0.729 20 0 CCADLP C[C@](O)(C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)C(F)(F)F ZINC000629602448 369736761 /nfs/dbraw/zinc/73/67/61/369736761.db2.gz FLHRTLMJPBXWND-ONGXEEELSA-N 2 2 297.321 0.229 20 0 CCADLP Cn1ccc(-c2cn(CC[N@H+](C)CCC[NH+](C)C)nn2)n1 ZINC000630611189 370209406 /nfs/dbraw/zinc/20/94/06/370209406.db2.gz BLRFXQOJQTWHND-UHFFFAOYSA-N 2 2 291.403 0.562 20 0 CCADLP Cn1ccc(-c2cn(CC[N@@H+](C)CCC[NH+](C)C)nn2)n1 ZINC000630611189 370209411 /nfs/dbraw/zinc/20/94/11/370209411.db2.gz BLRFXQOJQTWHND-UHFFFAOYSA-N 2 2 291.403 0.562 20 0 CCADLP Cc1nc(NCCC[NH+]2CCC(C)CC2)nc(N)[nH+]1 ZINC000631046278 370367912 /nfs/dbraw/zinc/36/79/12/370367912.db2.gz FGJFNCZWIHNBPC-UHFFFAOYSA-N 2 2 264.377 0.548 20 0 CCADLP Cc1nc(N)nc(NCCC[NH+]2CCC(C)CC2)[nH+]1 ZINC000631046278 370367916 /nfs/dbraw/zinc/36/79/16/370367916.db2.gz FGJFNCZWIHNBPC-UHFFFAOYSA-N 2 2 264.377 0.548 20 0 CCADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)C1 ZINC000631045260 370368427 /nfs/dbraw/zinc/36/84/27/370368427.db2.gz TVKKXNPCBJJGNS-ZIAGYGMSSA-N 2 2 293.415 0.746 20 0 CCADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)C1 ZINC000631045260 370368431 /nfs/dbraw/zinc/36/84/31/370368431.db2.gz TVKKXNPCBJJGNS-ZIAGYGMSSA-N 2 2 293.415 0.746 20 0 CCADLP Cc1nc(NCC[C@H](C)[NH+]2CCCCC2)nc(N)[nH+]1 ZINC000631207967 370423954 /nfs/dbraw/zinc/42/39/54/370423954.db2.gz MBYPLGQTFAYTHP-JTQLQIEISA-N 2 2 264.377 0.691 20 0 CCADLP Cc1nc(N)nc(NCC[C@H](C)[NH+]2CCCCC2)[nH+]1 ZINC000631207967 370423955 /nfs/dbraw/zinc/42/39/55/370423955.db2.gz MBYPLGQTFAYTHP-JTQLQIEISA-N 2 2 264.377 0.691 20 0 CCADLP Cc1nc(N[C@@H](C)C(C)(C)C[NH+](C)C)nc(N)[nH+]1 ZINC000631130379 370393832 /nfs/dbraw/zinc/39/38/32/370393832.db2.gz VWUYQDFSUZCTEQ-QMMMGPOBSA-N 2 2 252.366 0.403 20 0 CCADLP Cc1nc(N)nc(N[C@@H](C)C(C)(C)C[NH+](C)C)[nH+]1 ZINC000631130379 370393833 /nfs/dbraw/zinc/39/38/33/370393833.db2.gz VWUYQDFSUZCTEQ-QMMMGPOBSA-N 2 2 252.366 0.403 20 0 CCADLP Cc1conc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000631258573 370442858 /nfs/dbraw/zinc/44/28/58/370442858.db2.gz BEEKIVJKMHMWGS-GFCCVEGCSA-N 2 2 292.383 0.881 20 0 CCADLP Cc1conc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000631258573 370442863 /nfs/dbraw/zinc/44/28/63/370442863.db2.gz BEEKIVJKMHMWGS-GFCCVEGCSA-N 2 2 292.383 0.881 20 0 CCADLP Cc1nc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)nc(N)[nH+]1 ZINC000631263890 370443639 /nfs/dbraw/zinc/44/36/39/370443639.db2.gz LBKFQGOVPZFPSW-LBPRGKRZSA-N 2 2 292.387 0.141 20 0 CCADLP Cc1nc(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)nc(N)[nH+]1 ZINC000631276181 370450621 /nfs/dbraw/zinc/45/06/21/370450621.db2.gz LGOBVXJNHUGRAV-ONGXEEELSA-N 2 2 262.361 0.656 20 0 CCADLP Cn1ncc2c1nc[nH+]c2N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC000631328694 370476090 /nfs/dbraw/zinc/47/60/90/370476090.db2.gz YKHNEOZXVSCSRY-MNOVXSKESA-N 2 2 272.356 0.751 20 0 CCADLP Cn1ncc2c1nc[nH+]c2N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC000631328694 370476092 /nfs/dbraw/zinc/47/60/92/370476092.db2.gz YKHNEOZXVSCSRY-MNOVXSKESA-N 2 2 272.356 0.751 20 0 CCADLP COc1cc[nH+]cc1CNS(=O)(=O)CCC[NH+](C)C ZINC000632362692 371007847 /nfs/dbraw/zinc/00/78/47/371007847.db2.gz PARUZVLTXJHBQV-UHFFFAOYSA-N 2 2 287.385 0.461 20 0 CCADLP Cc1cccn2c(C[NH2+]C[C@]3(O)CCOC3)c[nH+]c12 ZINC000331614602 204014519 /nfs/dbraw/zinc/01/45/19/204014519.db2.gz FOYPDZFQCVALSM-CQSZACIVSA-N 2 2 261.325 0.884 20 0 CCADLP COC(=O)[C@H](C)C[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000310849156 284250362 /nfs/dbraw/zinc/25/03/62/284250362.db2.gz IUDUUOQUQRLRJB-ZYHUDNBSSA-N 2 2 258.362 0.182 20 0 CCADLP COC(=O)[C@H](C)C[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000310849156 284250363 /nfs/dbraw/zinc/25/03/63/284250363.db2.gz IUDUUOQUQRLRJB-ZYHUDNBSSA-N 2 2 258.362 0.182 20 0 CCADLP COC(=O)[C@H](C)C[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310849156 284250367 /nfs/dbraw/zinc/25/03/67/284250367.db2.gz IUDUUOQUQRLRJB-ZYHUDNBSSA-N 2 2 258.362 0.182 20 0 CCADLP COC(=O)[C@H](C)C[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310849156 284250369 /nfs/dbraw/zinc/25/03/69/284250369.db2.gz IUDUUOQUQRLRJB-ZYHUDNBSSA-N 2 2 258.362 0.182 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633105105 371400180 /nfs/dbraw/zinc/40/01/80/371400180.db2.gz FLDDLHUBZOGWLZ-WDEREUQCSA-N 2 2 293.371 0.096 20 0 CCADLP Cc1ccc(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)c(C)[nH+]1 ZINC000633043011 371375325 /nfs/dbraw/zinc/37/53/25/371375325.db2.gz XJXLICVANGVDIM-GXSJLCMTSA-N 2 2 276.340 0.585 20 0 CCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@H]3CCCO3)c2)CC1 ZINC000634193315 371944070 /nfs/dbraw/zinc/94/40/70/371944070.db2.gz FNNRYYYUYRVXKC-ZDUSSCGKSA-N 2 2 290.367 0.951 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640044638 376209318 /nfs/dbraw/zinc/20/93/18/376209318.db2.gz WEVDSLVAZVOYMB-QJPTWQEYSA-N 2 2 298.349 0.790 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640044638 376209321 /nfs/dbraw/zinc/20/93/21/376209321.db2.gz WEVDSLVAZVOYMB-QJPTWQEYSA-N 2 2 298.349 0.790 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640044638 376209328 /nfs/dbraw/zinc/20/93/28/376209328.db2.gz WEVDSLVAZVOYMB-QJPTWQEYSA-N 2 2 298.349 0.790 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640044638 376209332 /nfs/dbraw/zinc/20/93/32/376209332.db2.gz WEVDSLVAZVOYMB-QJPTWQEYSA-N 2 2 298.349 0.790 20 0 CCADLP C[NH+](C)CC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000634302584 372006547 /nfs/dbraw/zinc/00/65/47/372006547.db2.gz LEKNUXIWAWXEAW-UHFFFAOYSA-N 2 2 294.424 0.813 20 0 CCADLP C[C@@](O)(C[C@@H](O)C[NH2+]CCn1cc[nH+]c1)C1CC1 ZINC000634699793 372146018 /nfs/dbraw/zinc/14/60/18/372146018.db2.gz PEDJCURBDQKIJM-CHWSQXEVSA-N 2 2 253.346 0.385 20 0 CCADLP Cn1c[nH+]c(CC[NH2+]C[C@H](O)C[C@](C)(O)C2CC2)c1 ZINC000634716492 372161361 /nfs/dbraw/zinc/16/13/61/372161361.db2.gz VKEMNOKTDVTYIL-KGLIPLIRSA-N 2 2 267.373 0.464 20 0 CCADLP OC[C@@H]1CCCN(c2cc(N3CC[NH2+]CC3)nc[nH+]2)C1 ZINC000634807310 372247420 /nfs/dbraw/zinc/24/74/20/372247420.db2.gz GPLDUJUYSVAOBJ-GFCCVEGCSA-N 2 2 277.372 0.095 20 0 CCADLP C[C@H](O)CNc1cc(N2CCC[NH2+]CC2)nc[nH+]1 ZINC000634807306 372248240 /nfs/dbraw/zinc/24/82/40/372248240.db2.gz GIQPBNORNZYYLE-JTQLQIEISA-N 2 2 251.334 0.069 20 0 CCADLP Nc1[nH+]cnc(N2CC[C@H]3OCC[NH2+][C@@H]3C2)c1Cl ZINC000634809713 372251467 /nfs/dbraw/zinc/25/14/67/372251467.db2.gz YQNDEFCOEXWYEE-HTQZYQBOSA-N 2 2 269.736 0.279 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)[C@H](C)O1 ZINC000635003536 372339749 /nfs/dbraw/zinc/33/97/49/372339749.db2.gz DQBJOIYJCUPUGC-JPKGWIMLSA-N 2 2 254.374 0.909 20 0 CCADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000635527101 372590731 /nfs/dbraw/zinc/59/07/31/372590731.db2.gz FIFAHYQERDZEFE-WDEREUQCSA-N 2 2 273.340 0.965 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@@H](C)[NH+](C)C)N1CC[NH+](C)CC1 ZINC000635555724 372622489 /nfs/dbraw/zinc/62/24/89/372622489.db2.gz GMPNXXSUSPOERQ-KGLIPLIRSA-N 2 2 284.448 0.325 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@@H](C)[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000635555724 372622493 /nfs/dbraw/zinc/62/24/93/372622493.db2.gz GMPNXXSUSPOERQ-KGLIPLIRSA-N 2 2 284.448 0.325 20 0 CCADLP C[C@H](CNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1)Cn1cc[nH+]c1 ZINC000635591314 372663682 /nfs/dbraw/zinc/66/36/82/372663682.db2.gz CZAUTVXHFLTSRM-HZSPNIEDSA-N 2 2 292.383 0.499 20 0 CCADLP C[C@H](CNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1)Cn1cc[nH+]c1 ZINC000635591314 372663687 /nfs/dbraw/zinc/66/36/87/372663687.db2.gz CZAUTVXHFLTSRM-HZSPNIEDSA-N 2 2 292.383 0.499 20 0 CCADLP O=C(NCCc1cn2ccccc2[nH+]1)[C@@H]1CC[NH2+]C1 ZINC000237900139 189892983 /nfs/dbraw/zinc/89/29/83/189892983.db2.gz BUZFCDDPVHNSOB-LLVKDONJSA-N 2 2 258.325 0.603 20 0 CCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N[C@@H]1CCC[NH2+]C1 ZINC000333127184 205052574 /nfs/dbraw/zinc/05/25/74/205052574.db2.gz BFLXSSLHCUJWKG-OLZOCXBDSA-N 2 2 289.383 0.712 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H]1C[N@H+](C)CCO1 ZINC000635713458 372802307 /nfs/dbraw/zinc/80/23/07/372802307.db2.gz GJAMPAFDAIEZDU-PRULPYPASA-N 2 2 278.356 0.349 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H]1C[N@@H+](C)CCO1 ZINC000635713458 372802311 /nfs/dbraw/zinc/80/23/11/372802311.db2.gz GJAMPAFDAIEZDU-PRULPYPASA-N 2 2 278.356 0.349 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000514612533 284349098 /nfs/dbraw/zinc/34/90/98/284349098.db2.gz POHFMQKQWZJNRF-ZQDZILKHSA-N 2 2 286.416 0.567 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000514612533 284349109 /nfs/dbraw/zinc/34/91/09/284349109.db2.gz POHFMQKQWZJNRF-ZQDZILKHSA-N 2 2 286.416 0.567 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000514612533 284349111 /nfs/dbraw/zinc/34/91/11/284349111.db2.gz POHFMQKQWZJNRF-ZQDZILKHSA-N 2 2 286.416 0.567 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000514612533 284349116 /nfs/dbraw/zinc/34/91/16/284349116.db2.gz POHFMQKQWZJNRF-ZQDZILKHSA-N 2 2 286.416 0.567 20 0 CCADLP Cc1cc(N2CC[C@H]([NH2+][C@H](C)[C@@H]3CCC[NH2+]3)C2=O)n(C)n1 ZINC000333277787 205176268 /nfs/dbraw/zinc/17/62/68/205176268.db2.gz LVCKLBMNJXCRKD-AGIUHOORSA-N 2 2 291.399 0.564 20 0 CCADLP C[C@H](CC(=O)NC[C@@](C)(O)CC[NH+](C)C)n1cc[nH+]c1 ZINC000568146292 291555890 /nfs/dbraw/zinc/55/58/90/291555890.db2.gz JHFSXHCVEANTDP-OCCSQVGLSA-N 2 2 282.388 0.653 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H](C)C1 ZINC000635818753 372951646 /nfs/dbraw/zinc/95/16/46/372951646.db2.gz LGRVYVHPRMRPJQ-FDYHWXHSSA-N 2 2 292.383 0.427 20 0 CCADLP C[C@H](NC(=O)N[C@@H]1CCC[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000333366402 205257024 /nfs/dbraw/zinc/25/70/24/205257024.db2.gz LVMDBPAHWJZTLD-RWMBFGLXSA-N 2 2 284.404 0.147 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H](C)C1 ZINC000635818753 372951622 /nfs/dbraw/zinc/95/16/22/372951622.db2.gz LGRVYVHPRMRPJQ-FDYHWXHSSA-N 2 2 292.383 0.427 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H](C)C1 ZINC000635818753 372951626 /nfs/dbraw/zinc/95/16/26/372951626.db2.gz LGRVYVHPRMRPJQ-FDYHWXHSSA-N 2 2 292.383 0.427 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H](C)C1 ZINC000635818753 372951636 /nfs/dbraw/zinc/95/16/36/372951636.db2.gz LGRVYVHPRMRPJQ-FDYHWXHSSA-N 2 2 292.383 0.427 20 0 CCADLP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000635858392 373011317 /nfs/dbraw/zinc/01/13/17/373011317.db2.gz FHLATQXZVOSNLP-ZDUSSCGKSA-N 2 2 281.400 0.309 20 0 CCADLP C[N@H+]1CC[C@@H](CC(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000635858392 373011322 /nfs/dbraw/zinc/01/13/22/373011322.db2.gz FHLATQXZVOSNLP-ZDUSSCGKSA-N 2 2 281.400 0.309 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CC=CCC1 ZINC000635877535 373041440 /nfs/dbraw/zinc/04/14/40/373041440.db2.gz MAAOKHBOKYMWKT-ZDUSSCGKSA-N 2 2 251.374 0.849 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CC=CCC1 ZINC000635877535 373041446 /nfs/dbraw/zinc/04/14/46/373041446.db2.gz MAAOKHBOKYMWKT-ZDUSSCGKSA-N 2 2 251.374 0.849 20 0 CCADLP C[NH+]1CCCC[C@H]1C(=O)NCC[N@H+]1CC=CCC1 ZINC000635877535 373041450 /nfs/dbraw/zinc/04/14/50/373041450.db2.gz MAAOKHBOKYMWKT-ZDUSSCGKSA-N 2 2 251.374 0.849 20 0 CCADLP C[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+]1CC=CCC1 ZINC000635877535 373041455 /nfs/dbraw/zinc/04/14/55/373041455.db2.gz MAAOKHBOKYMWKT-ZDUSSCGKSA-N 2 2 251.374 0.849 20 0 CCADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000635919017 373104509 /nfs/dbraw/zinc/10/45/09/373104509.db2.gz WLJKFOLRPCXEMO-NWDGAFQWSA-N 2 2 262.357 0.656 20 0 CCADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000635919017 373104516 /nfs/dbraw/zinc/10/45/16/373104516.db2.gz WLJKFOLRPCXEMO-NWDGAFQWSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC000635920222 373106573 /nfs/dbraw/zinc/10/65/73/373106573.db2.gz RQGBAFWNDPROJT-KBPBESRZSA-N 2 2 295.427 0.650 20 0 CCADLP CCc1c[nH]c(CC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)[nH+]1 ZINC000635993033 373218409 /nfs/dbraw/zinc/21/84/09/373218409.db2.gz LQHMUPPRTVNQGX-TXEJJXNPSA-N 2 2 294.399 0.428 20 0 CCADLP CCc1c[nH]c(CC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)[nH+]1 ZINC000635993033 373218418 /nfs/dbraw/zinc/21/84/18/373218418.db2.gz LQHMUPPRTVNQGX-TXEJJXNPSA-N 2 2 294.399 0.428 20 0 CCADLP C[NH+](C)CC1(C(=O)N[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000636074619 373331326 /nfs/dbraw/zinc/33/13/26/373331326.db2.gz LKCHRFFOHSQUQZ-LLVKDONJSA-N 2 2 262.357 0.656 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[NH2+][C@@H](C(C)C)C2)[nH+]1 ZINC000636237799 373478340 /nfs/dbraw/zinc/47/83/40/373478340.db2.gz ACUQQXZWTCUIEV-GFCCVEGCSA-N 2 2 264.373 0.971 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)N[C@H]2Cc3c[nH+]cn3C2)C[N@@H+]1C1CC1 ZINC000636907070 373813626 /nfs/dbraw/zinc/81/36/26/373813626.db2.gz JFQKGFUKZOABEB-UTUOFQBUSA-N 2 2 289.383 0.732 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)N[C@H]2Cc3c[nH+]cn3C2)C[N@H+]1C1CC1 ZINC000636907070 373813631 /nfs/dbraw/zinc/81/36/31/373813631.db2.gz JFQKGFUKZOABEB-UTUOFQBUSA-N 2 2 289.383 0.732 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)C[NH+]2CC[C@@H](C)C2)CCO1 ZINC000574462261 335021768 /nfs/dbraw/zinc/02/17/68/335021768.db2.gz DTJANNYWCQTHFW-KGLIPLIRSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)C[NH+]2CC[C@@H](C)C2)CCO1 ZINC000574462261 335021770 /nfs/dbraw/zinc/02/17/70/335021770.db2.gz DTJANNYWCQTHFW-KGLIPLIRSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@H]1C[NH+](CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CCO1 ZINC000574462261 335021771 /nfs/dbraw/zinc/02/17/71/335021771.db2.gz DTJANNYWCQTHFW-KGLIPLIRSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@H]1C[NH+](CCNC(=O)C[N@H+]2CC[C@@H](C)C2)CCO1 ZINC000574462261 335021773 /nfs/dbraw/zinc/02/17/73/335021773.db2.gz DTJANNYWCQTHFW-KGLIPLIRSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H](CNC(=O)NC[C@]1(C)CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000333939455 205853088 /nfs/dbraw/zinc/85/30/88/205853088.db2.gz NGGOMVOTCHNBHI-DZGCQCFKSA-N 2 2 298.431 0.396 20 0 CCADLP Cc1cc(C)c(CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)c[nH+]1 ZINC000637206714 374007335 /nfs/dbraw/zinc/00/73/35/374007335.db2.gz WCSOBSKHEDHSKQ-AWEZNQCLSA-N 2 2 292.383 0.564 20 0 CCADLP Cc1cc(C)c(CNC(=O)NCC[N@H+]2CC[C@H](O)C2)c[nH+]1 ZINC000637206714 374007341 /nfs/dbraw/zinc/00/73/41/374007341.db2.gz WCSOBSKHEDHSKQ-AWEZNQCLSA-N 2 2 292.383 0.564 20 0 CCADLP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])C1 ZINC000637801583 374329413 /nfs/dbraw/zinc/32/94/13/374329413.db2.gz GRLCATGNUVPONL-KGLIPLIRSA-N 2 2 276.384 0.005 20 0 CCADLP Cc1cn2ccc(C(=O)NCCN3CC[NH2+]CC3)cc2[nH+]1 ZINC000637810830 374342725 /nfs/dbraw/zinc/34/27/25/374342725.db2.gz JFKYFLHCFIXHDH-UHFFFAOYSA-N 2 2 287.367 0.278 20 0 CCADLP COC[C@@H](C)NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000656543507 412821346 /nfs/dbraw/zinc/82/13/46/412821346.db2.gz REAHAMVYRFGMDW-GFCCVEGCSA-N 2 2 274.409 0.204 20 0 CCADLP COC[C@@H](C)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000656543507 412821348 /nfs/dbraw/zinc/82/13/48/412821348.db2.gz REAHAMVYRFGMDW-GFCCVEGCSA-N 2 2 274.409 0.204 20 0 CCADLP [NH3+][C@H]1CCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000637821971 374359995 /nfs/dbraw/zinc/35/99/95/374359995.db2.gz XDWXMBCHWUFEMG-IUCAKERBSA-N 2 2 276.262 0.936 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@@H]1CCC[NH2+]C1)CC2 ZINC000637814196 374348827 /nfs/dbraw/zinc/34/88/27/374348827.db2.gz IWSWDQUGXCJYOG-CHWSQXEVSA-N 2 2 276.384 0.870 20 0 CCADLP C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CN(C)Cc1ccccc1 ZINC000637816361 374351709 /nfs/dbraw/zinc/35/17/09/374351709.db2.gz HSLGHMKFQZUIRL-HIFRSBDPSA-N 2 2 290.411 0.266 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[NH2+][C@@H](C)C1)CC2 ZINC000637843019 374393730 /nfs/dbraw/zinc/39/37/30/374393730.db2.gz YYJGHSQVKHYKCB-JQWIXIFHSA-N 2 2 262.357 0.574 20 0 CCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638052999 374597058 /nfs/dbraw/zinc/59/70/58/374597058.db2.gz DQJNBRCKHZOTLH-SMDDNHRTSA-N 2 2 288.351 0.577 20 0 CCADLP C[C@]1(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C[NH2+]CCO1 ZINC000638075135 374631054 /nfs/dbraw/zinc/63/10/54/374631054.db2.gz CDEQEVMGVGXDML-SMDDNHRTSA-N 2 2 278.356 0.494 20 0 CCADLP COC[C@]1(C(=O)NCCCCn2cc[nH+]c2)CCCC[NH2+]1 ZINC000638075374 374631266 /nfs/dbraw/zinc/63/12/66/374631266.db2.gz IUSVBUUBKLXFIU-HNNXBMFYSA-N 2 2 294.399 0.938 20 0 CCADLP [NH3+]Cc1ncc(C(=O)NCC[NH+]2Cc3ccccc3C2)cn1 ZINC000638078891 374635029 /nfs/dbraw/zinc/63/50/29/374635029.db2.gz IISZXANBDBJRFN-UHFFFAOYSA-N 2 2 297.362 0.681 20 0 CCADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000638072381 374624749 /nfs/dbraw/zinc/62/47/49/374624749.db2.gz FUHOGZPHKDCJDD-GVXVVHGQSA-N 2 2 266.345 0.155 20 0 CCADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000638088834 374649366 /nfs/dbraw/zinc/64/93/66/374649366.db2.gz PZRKTFFMIFYMPO-ZFWWWQNUSA-N 2 2 292.383 0.814 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638098848 374661874 /nfs/dbraw/zinc/66/18/74/374661874.db2.gz PUNPWKLMVLSKLQ-LBPRGKRZSA-N 2 2 267.373 0.261 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638098848 374661881 /nfs/dbraw/zinc/66/18/81/374661881.db2.gz PUNPWKLMVLSKLQ-LBPRGKRZSA-N 2 2 267.373 0.261 20 0 CCADLP Nc1nc(N)c(CN2CCC[C@H]([NH+]3CCCC3)CC2)c[nH+]1 ZINC000638105526 374671944 /nfs/dbraw/zinc/67/19/44/374671944.db2.gz UDXBSHMMLAICQS-ZDUSSCGKSA-N 2 2 290.415 0.752 20 0 CCADLP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NCc1[nH]cc[nH+]1 ZINC000638113260 374679477 /nfs/dbraw/zinc/67/94/77/374679477.db2.gz AXAVYYHPPRPYCH-SMDDNHRTSA-N 2 2 288.351 0.959 20 0 CCADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000638116818 374681659 /nfs/dbraw/zinc/68/16/59/374681659.db2.gz HACSNQNEZSRRLW-WFASDCNBSA-N 2 2 292.383 0.883 20 0 CCADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000638116818 374681665 /nfs/dbraw/zinc/68/16/65/374681665.db2.gz HACSNQNEZSRRLW-WFASDCNBSA-N 2 2 292.383 0.883 20 0 CCADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2[nH+]ccn2CC(C)C)C1 ZINC000638123609 374690499 /nfs/dbraw/zinc/69/04/99/374690499.db2.gz QXKRAVBBQAMGHX-WFASDCNBSA-N 2 2 294.399 0.922 20 0 CCADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2[nH]c[nH+]c2C)C1 ZINC000638135085 374705787 /nfs/dbraw/zinc/70/57/87/374705787.db2.gz ZOALGTSQLUQGKZ-JOYOIKCWSA-N 2 2 252.318 0.101 20 0 CCADLP CO[C@@]1(C[NH2+]C[C@H]2C[N@H+](CC(C)C)CCO2)CCOC1 ZINC000638279509 374885996 /nfs/dbraw/zinc/88/59/96/374885996.db2.gz RTTPEFKYUPCALA-LSDHHAIUSA-N 2 2 286.416 0.738 20 0 CCADLP CO[C@@]1(C[NH2+]C[C@H]2C[N@@H+](CC(C)C)CCO2)CCOC1 ZINC000638279509 374886002 /nfs/dbraw/zinc/88/60/02/374886002.db2.gz RTTPEFKYUPCALA-LSDHHAIUSA-N 2 2 286.416 0.738 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000638253374 374849428 /nfs/dbraw/zinc/84/94/28/374849428.db2.gz MNTMBLAGVVIMSO-LBPRGKRZSA-N 2 2 254.309 0.352 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000638257653 374855186 /nfs/dbraw/zinc/85/51/86/374855186.db2.gz CGSPXAMKRZKTNJ-MNOVXSKESA-N 2 2 250.346 0.607 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@]1(C)C[NH3+] ZINC000638336457 374937071 /nfs/dbraw/zinc/93/70/71/374937071.db2.gz AOQJMDRBVSMNHQ-ZHSDAYTOSA-N 2 2 262.357 0.957 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@]1(C)C[NH3+] ZINC000638336457 374937074 /nfs/dbraw/zinc/93/70/74/374937074.db2.gz AOQJMDRBVSMNHQ-ZHSDAYTOSA-N 2 2 262.357 0.957 20 0 CCADLP CCn1ncnc1C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000638351363 374949091 /nfs/dbraw/zinc/94/90/91/374949091.db2.gz FINQJIVNOKFCQL-AWEZNQCLSA-N 2 2 294.447 0.660 20 0 CCADLP Cc1cc(CNC(=O)CN2CC[NH2+]CC2)cc(C)[nH+]1 ZINC000638354836 374953491 /nfs/dbraw/zinc/95/34/91/374953491.db2.gz VPTQCPOFLUQSAR-UHFFFAOYSA-N 2 2 262.357 0.220 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000638359457 374957150 /nfs/dbraw/zinc/95/71/50/374957150.db2.gz QNXRAPQETQPRPM-LLVKDONJSA-N 2 2 294.380 0.709 20 0 CCADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NCc1c[nH+]c(N)nc1N ZINC000638413391 375009936 /nfs/dbraw/zinc/00/99/36/375009936.db2.gz VABXHRGSQVIHBI-GHMZBOCLSA-N 2 2 278.404 0.512 20 0 CCADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NCc1c[nH+]c(N)nc1N ZINC000638413391 375009943 /nfs/dbraw/zinc/00/99/43/375009943.db2.gz VABXHRGSQVIHBI-GHMZBOCLSA-N 2 2 278.404 0.512 20 0 CCADLP COC[C@]1(C(=O)N[C@@H](C)c2[nH+]ccn2C)CCCC[NH2+]1 ZINC000638429655 375027608 /nfs/dbraw/zinc/02/76/08/375027608.db2.gz MLHWDZROVPQMPP-FZMZJTMJSA-N 2 2 280.372 0.756 20 0 CCADLP COCC[N@H+](C)CC[NH2+]C[C@H](OC)C1CCOCC1 ZINC000638481115 375075063 /nfs/dbraw/zinc/07/50/63/375075063.db2.gz DYSVRTWTNXLYII-AWEZNQCLSA-N 2 2 274.405 0.596 20 0 CCADLP COCC[N@@H+](C)CC[NH2+]C[C@H](OC)C1CCOCC1 ZINC000638481115 375075067 /nfs/dbraw/zinc/07/50/67/375075067.db2.gz DYSVRTWTNXLYII-AWEZNQCLSA-N 2 2 274.405 0.596 20 0 CCADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000638443056 375045969 /nfs/dbraw/zinc/04/59/69/375045969.db2.gz IAYXIXKXGQYJIH-LBPRGKRZSA-N 2 2 283.397 0.518 20 0 CCADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000638443056 375045971 /nfs/dbraw/zinc/04/59/71/375045971.db2.gz IAYXIXKXGQYJIH-LBPRGKRZSA-N 2 2 283.397 0.518 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000638583070 375162659 /nfs/dbraw/zinc/16/26/59/375162659.db2.gz HEYUUJYSZKVLQJ-LLVKDONJSA-N 2 2 293.415 0.714 20 0 CCADLP C[NH2+]CCOCCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000638594088 375176162 /nfs/dbraw/zinc/17/61/62/375176162.db2.gz ZNHBFULXFWKETQ-GFCCVEGCSA-N 2 2 268.361 0.529 20 0 CCADLP C[C@H]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)nn2)C[NH2+]1 ZINC000638644819 375249814 /nfs/dbraw/zinc/24/98/14/375249814.db2.gz SJYALORKIPAUBK-WDEREUQCSA-N 2 2 286.339 0.533 20 0 CCADLP CC(C)C[C@H](C(=O)NC[C@H]1COCC[NH2+]1)n1cc[nH+]c1 ZINC000638612209 375193494 /nfs/dbraw/zinc/19/34/94/375193494.db2.gz NKFSEKYQSVSRQH-QWHCGFSZSA-N 2 2 280.372 0.575 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@H]1COCC[N@@H+]1C)[C@@H](C)[NH3+] ZINC000638612892 375196069 /nfs/dbraw/zinc/19/60/69/375196069.db2.gz YAENFFXFYCUUIL-WOPDTQHZSA-N 2 2 257.378 0.053 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@H]1COCC[N@H+]1C)[C@@H](C)[NH3+] ZINC000638612892 375196075 /nfs/dbraw/zinc/19/60/75/375196075.db2.gz YAENFFXFYCUUIL-WOPDTQHZSA-N 2 2 257.378 0.053 20 0 CCADLP C[C@H](C[NH2+][C@H]1CCCNC(=O)C1)C[NH+]1CCOCC1 ZINC000638674839 375278886 /nfs/dbraw/zinc/27/88/86/375278886.db2.gz OAJBDAOQMLMZCC-OLZOCXBDSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@@H]1[C@H](C(F)(F)F)OCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000638695513 375301985 /nfs/dbraw/zinc/30/19/85/375301985.db2.gz QUHQSXKCVDKOOQ-KXUCPTDWSA-N 2 2 297.321 0.444 20 0 CCADLP [NH3+]CCCOCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000638662201 375265007 /nfs/dbraw/zinc/26/50/07/375265007.db2.gz OQSPAOFSZBNMSN-CQSZACIVSA-N 2 2 299.415 0.111 20 0 CCADLP [NH3+]CCCOCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000638662201 375265012 /nfs/dbraw/zinc/26/50/12/375265012.db2.gz OQSPAOFSZBNMSN-CQSZACIVSA-N 2 2 299.415 0.111 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N(C)CCOCC[NH3+])CC2 ZINC000638669328 375273057 /nfs/dbraw/zinc/27/30/57/375273057.db2.gz AUXSCHZPQHMZED-GFCCVEGCSA-N 2 2 280.372 0.188 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCNC(=O)C1 ZINC000638781057 375353138 /nfs/dbraw/zinc/35/31/38/375353138.db2.gz RHTPJRAPERRYJM-NTZNESFSSA-N 2 2 251.374 0.727 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCNC(=O)C1 ZINC000638781057 375353143 /nfs/dbraw/zinc/35/31/43/375353143.db2.gz RHTPJRAPERRYJM-NTZNESFSSA-N 2 2 251.374 0.727 20 0 CCADLP O=C(N[C@@H]1CC[NH2+]C1)C1CC[NH+](CC(F)F)CC1 ZINC000638792037 375359592 /nfs/dbraw/zinc/35/95/92/375359592.db2.gz ZWBISGHHWCLJSN-SNVBAGLBSA-N 2 2 261.316 0.442 20 0 CCADLP CN(C)c1cncc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000638846819 375403905 /nfs/dbraw/zinc/40/39/05/375403905.db2.gz DWYAVXOTLHWAMN-GFCCVEGCSA-N 2 2 265.361 0.365 20 0 CCADLP [NH3+][C@H]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000639032326 375535912 /nfs/dbraw/zinc/53/59/12/375535912.db2.gz RVTYZZAWUYQHFQ-SRVKXCTJSA-N 2 2 262.357 0.832 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cnn2c1CCCC2 ZINC000638978421 375493756 /nfs/dbraw/zinc/49/37/56/375493756.db2.gz CGRXMSIUMXLLPN-JTQLQIEISA-N 2 2 265.361 0.437 20 0 CCADLP Cc1cnc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cn1 ZINC000638986323 375499241 /nfs/dbraw/zinc/49/92/41/375499241.db2.gz KJZNXUPEMRKNNT-UHFFFAOYSA-N 2 2 298.350 0.842 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1cccc(F)c1F ZINC000638991203 375505080 /nfs/dbraw/zinc/50/50/80/375505080.db2.gz WVIWQLIUQGEZQX-LLVKDONJSA-N 2 2 271.311 0.860 20 0 CCADLP [NH3+]C1(CC(=O)N2CC[NH+](CCc3cnccn3)CC2)CC1 ZINC000639002834 375513094 /nfs/dbraw/zinc/51/30/94/375513094.db2.gz AYJYRCGQPJNJLU-UHFFFAOYSA-N 2 2 289.383 0.045 20 0 CCADLP C[C@@H]1C[C@@H](NC[C@@H](O)C[N@H+](C)C2CC2)c2[nH+]ccn21 ZINC000574631943 335034987 /nfs/dbraw/zinc/03/49/87/335034987.db2.gz RIYONVCGEZXZGE-RAIGVLPGSA-N 2 2 264.373 0.934 20 0 CCADLP C[C@@H]1C[C@@H](NC[C@@H](O)C[N@@H+](C)C2CC2)c2[nH+]ccn21 ZINC000574631943 335034988 /nfs/dbraw/zinc/03/49/88/335034988.db2.gz RIYONVCGEZXZGE-RAIGVLPGSA-N 2 2 264.373 0.934 20 0 CCADLP CO[C@H](C[NH2+]C[C@H]1CCCC[N@@H+]1CCO)[C@H]1CCOC1 ZINC000639217263 375638101 /nfs/dbraw/zinc/63/81/01/375638101.db2.gz CWLGSLNRJLTJEU-RRFJBIMHSA-N 2 2 286.416 0.474 20 0 CCADLP CO[C@H](C[NH2+]C[C@H]1CCCC[N@H+]1CCO)[C@H]1CCOC1 ZINC000639217263 375638105 /nfs/dbraw/zinc/63/81/05/375638105.db2.gz CWLGSLNRJLTJEU-RRFJBIMHSA-N 2 2 286.416 0.474 20 0 CCADLP Cn1cc(CCC[NH2+][C@@H]2CCC[N@H+](CCCO)C2)cn1 ZINC000639219578 375643125 /nfs/dbraw/zinc/64/31/25/375643125.db2.gz SAPIZFQZPSRQCM-OAHLLOKOSA-N 2 2 280.416 0.789 20 0 CCADLP Cn1cc(CCC[NH2+][C@@H]2CCC[N@@H+](CCCO)C2)cn1 ZINC000639219578 375643130 /nfs/dbraw/zinc/64/31/30/375643130.db2.gz SAPIZFQZPSRQCM-OAHLLOKOSA-N 2 2 280.416 0.789 20 0 CCADLP CN(Cc1c[nH+]c(N)nc1N)C(C)(C)C[NH+]1CCCC1 ZINC000639270182 375681155 /nfs/dbraw/zinc/68/11/55/375681155.db2.gz APNGRXITORFXSB-UHFFFAOYSA-N 2 2 278.404 0.608 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C(C)C)C1CCOCC1 ZINC000576644230 335230148 /nfs/dbraw/zinc/23/01/48/335230148.db2.gz BMQRNXIUNMFHLA-HNNXBMFYSA-N 2 2 288.432 0.815 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C(C)C)C1CCOCC1 ZINC000576644230 335230149 /nfs/dbraw/zinc/23/01/49/335230149.db2.gz BMQRNXIUNMFHLA-HNNXBMFYSA-N 2 2 288.432 0.815 20 0 CCADLP C[C@H](CS(C)(=O)=O)[N@H+](C)CCc1c[nH+]cn1C ZINC000639487634 375804656 /nfs/dbraw/zinc/80/46/56/375804656.db2.gz QLYGIICSWDEZHI-SNVBAGLBSA-N 2 2 259.375 0.328 20 0 CCADLP C[C@H](CS(C)(=O)=O)[N@@H+](C)CCc1c[nH+]cn1C ZINC000639487634 375804659 /nfs/dbraw/zinc/80/46/59/375804659.db2.gz QLYGIICSWDEZHI-SNVBAGLBSA-N 2 2 259.375 0.328 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000639489853 375806704 /nfs/dbraw/zinc/80/67/04/375806704.db2.gz OYZIFQIGVKMHSN-UHFFFAOYSA-N 3 2 280.416 0.741 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000639489853 375806712 /nfs/dbraw/zinc/80/67/12/375806712.db2.gz OYZIFQIGVKMHSN-UHFFFAOYSA-N 3 2 280.416 0.741 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C(C)C)C1CCOCC1 ZINC000576644230 335230151 /nfs/dbraw/zinc/23/01/51/335230151.db2.gz BMQRNXIUNMFHLA-HNNXBMFYSA-N 2 2 288.432 0.815 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C(C)C)C1CCOCC1 ZINC000576644230 335230152 /nfs/dbraw/zinc/23/01/52/335230152.db2.gz BMQRNXIUNMFHLA-HNNXBMFYSA-N 2 2 288.432 0.815 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000639660473 375894537 /nfs/dbraw/zinc/89/45/37/375894537.db2.gz WZXOGOMAVIBHPM-YUELXQCFSA-N 2 2 279.384 0.824 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000639660473 375894543 /nfs/dbraw/zinc/89/45/43/375894543.db2.gz WZXOGOMAVIBHPM-YUELXQCFSA-N 2 2 279.384 0.824 20 0 CCADLP c1c[nH+]c(N2CC[NH+](C[C@H]3CCc4ncnn43)CC2)[nH]1 ZINC000639627136 375870410 /nfs/dbraw/zinc/87/04/10/375870410.db2.gz NKHJWMXSSUNBOU-LLVKDONJSA-N 2 2 273.344 0.311 20 0 CCADLP CC[N@H+]1[C@H](C)CN(C[C@H](O)C[NH+]2CCOCC2)C[C@@H]1C ZINC000639744300 375970900 /nfs/dbraw/zinc/97/09/00/375970900.db2.gz CQGUYWWEBBFFDS-QLFBSQMISA-N 2 2 285.432 0.094 20 0 CCADLP CC[N@@H+]1[C@H](C)CN(C[C@H](O)C[NH+]2CCOCC2)C[C@@H]1C ZINC000639744300 375970909 /nfs/dbraw/zinc/97/09/09/375970909.db2.gz CQGUYWWEBBFFDS-QLFBSQMISA-N 2 2 285.432 0.094 20 0 CCADLP Cn1nnnc1C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682650 375913615 /nfs/dbraw/zinc/91/36/15/375913615.db2.gz HKENAKMXAIRLDN-UHFFFAOYSA-N 2 2 273.344 0.317 20 0 CCADLP Cn1nnnc1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682650 375913619 /nfs/dbraw/zinc/91/36/19/375913619.db2.gz HKENAKMXAIRLDN-UHFFFAOYSA-N 2 2 273.344 0.317 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639767164 375997041 /nfs/dbraw/zinc/99/70/41/375997041.db2.gz SYYKSPQIARFELF-RISCZKNCSA-N 2 2 269.389 0.042 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639767164 375997050 /nfs/dbraw/zinc/99/70/50/375997050.db2.gz SYYKSPQIARFELF-RISCZKNCSA-N 2 2 269.389 0.042 20 0 CCADLP Cn1c[nH+]cc1CCC[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000639783475 376008167 /nfs/dbraw/zinc/00/81/67/376008167.db2.gz ZWMQUFSNTFMUHT-CHWSQXEVSA-N 2 2 253.346 0.170 20 0 CCADLP c1nc2n(n1)[C@H](C[NH+]1CCC([NH+]3CCOCC3)CC1)CC2 ZINC000639830497 376039842 /nfs/dbraw/zinc/03/98/42/376039842.db2.gz LKKJJXJDOAHVPV-AWEZNQCLSA-N 2 2 291.399 0.562 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCCN2CCOCC2)C1 ZINC000639761855 375987911 /nfs/dbraw/zinc/98/79/11/375987911.db2.gz FLJGIRSUDGSZTQ-HNNXBMFYSA-N 2 2 285.432 0.097 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCCN2CCOCC2)C1 ZINC000639761855 375987916 /nfs/dbraw/zinc/98/79/16/375987916.db2.gz FLJGIRSUDGSZTQ-HNNXBMFYSA-N 2 2 285.432 0.097 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCCN(CCC[NH+]2CCOCC2)C1 ZINC000639761855 375987925 /nfs/dbraw/zinc/98/79/25/375987925.db2.gz FLJGIRSUDGSZTQ-HNNXBMFYSA-N 2 2 285.432 0.097 20 0 CCADLP Cc1nocc1C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762556 375988551 /nfs/dbraw/zinc/98/85/51/375988551.db2.gz MGYWUJJBYGOYQC-ZDUSSCGKSA-N 2 2 253.346 0.872 20 0 CCADLP Cc1nocc1C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762556 375988557 /nfs/dbraw/zinc/98/85/57/375988557.db2.gz MGYWUJJBYGOYQC-ZDUSSCGKSA-N 2 2 253.346 0.872 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC000639762982 375990160 /nfs/dbraw/zinc/99/01/60/375990160.db2.gz PGCBRZYOUMFVQK-NWDGAFQWSA-N 2 2 278.343 0.799 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC000639762982 375990164 /nfs/dbraw/zinc/99/01/64/375990164.db2.gz PGCBRZYOUMFVQK-NWDGAFQWSA-N 2 2 278.343 0.799 20 0 CCADLP c1cn(C[C@H]2C[N@H+](CCCn3cc[nH+]c3)CCO2)nn1 ZINC000639857722 376087578 /nfs/dbraw/zinc/08/75/78/376087578.db2.gz OSAJRNVMQMWGEM-CYBMUJFWSA-N 2 2 276.344 0.266 20 0 CCADLP c1cn(C[C@H]2C[N@@H+](CCCn3cc[nH+]c3)CCO2)nn1 ZINC000639857722 376087581 /nfs/dbraw/zinc/08/75/81/376087581.db2.gz OSAJRNVMQMWGEM-CYBMUJFWSA-N 2 2 276.344 0.266 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000639860171 376089203 /nfs/dbraw/zinc/08/92/03/376089203.db2.gz OLLRWBYUXNIVHP-HUUCEWRRSA-N 2 2 293.415 0.853 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000639860171 376089205 /nfs/dbraw/zinc/08/92/05/376089205.db2.gz OLLRWBYUXNIVHP-HUUCEWRRSA-N 2 2 293.415 0.853 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000639860171 376089206 /nfs/dbraw/zinc/08/92/06/376089206.db2.gz OLLRWBYUXNIVHP-HUUCEWRRSA-N 2 2 293.415 0.853 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000639860171 376089208 /nfs/dbraw/zinc/08/92/08/376089208.db2.gz OLLRWBYUXNIVHP-HUUCEWRRSA-N 2 2 293.415 0.853 20 0 CCADLP CN1c2ccccc2C[C@@H]([NH2+]C2CC[NH2+]CC2)C1=O ZINC000656787238 412851250 /nfs/dbraw/zinc/85/12/50/412851250.db2.gz HSMVYKRTVUAXER-CYBMUJFWSA-N 2 2 259.353 0.916 20 0 CCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)NCc1[nH+]ccn1C ZINC000334311658 206351884 /nfs/dbraw/zinc/35/18/84/206351884.db2.gz GUJNGNXPNAXKKB-NSHDSACASA-N 2 2 265.361 0.656 20 0 CCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)NCc1[nH+]ccn1C ZINC000334311658 206351887 /nfs/dbraw/zinc/35/18/87/206351887.db2.gz GUJNGNXPNAXKKB-NSHDSACASA-N 2 2 265.361 0.656 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@H](C)Cn2cc[nH+]c2)C1 ZINC000264475437 190112408 /nfs/dbraw/zinc/11/24/08/190112408.db2.gz MHBNXUMYBLLTJW-CHWSQXEVSA-N 2 2 295.387 0.292 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)N[C@H](C)Cn2cc[nH+]c2)C1 ZINC000264475437 190112409 /nfs/dbraw/zinc/11/24/09/190112409.db2.gz MHBNXUMYBLLTJW-CHWSQXEVSA-N 2 2 295.387 0.292 20 0 CCADLP Cc1cc[nH+]cc1Cn1cc(Cn2cc(C[NH3+])cn2)nn1 ZINC000641071209 376739673 /nfs/dbraw/zinc/73/96/73/376739673.db2.gz WZENODXCSMCBIV-UHFFFAOYSA-N 2 2 283.339 0.733 20 0 CCADLP COc1cc[nH+]cc1Cn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000641169265 376839076 /nfs/dbraw/zinc/83/90/76/376839076.db2.gz VJVMXWMSBJKAEY-NSHDSACASA-N 2 2 273.340 0.882 20 0 CCADLP C[NH+](C)[C@@H]1CCCN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641323767 376995436 /nfs/dbraw/zinc/99/54/36/376995436.db2.gz IMGKVLLBIYTLGP-GFCCVEGCSA-N 2 2 286.401 0.239 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641394190 377066084 /nfs/dbraw/zinc/06/60/84/377066084.db2.gz FWVHZHWXBIIQON-AAEUAGOBSA-N 2 2 298.412 0.285 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641394190 377066090 /nfs/dbraw/zinc/06/60/90/377066090.db2.gz FWVHZHWXBIIQON-AAEUAGOBSA-N 2 2 298.412 0.285 20 0 CCADLP C[N@@H+]1CCN(S(=O)(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC000641403726 377076772 /nfs/dbraw/zinc/07/67/72/377076772.db2.gz SCCSSGOVESOOKE-UHFFFAOYSA-N 2 2 286.401 0.239 20 0 CCADLP C[N@H+]1CCN(S(=O)(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC000641403726 377076781 /nfs/dbraw/zinc/07/67/81/377076781.db2.gz SCCSSGOVESOOKE-UHFFFAOYSA-N 2 2 286.401 0.239 20 0 CCADLP C[C@H]([NH3+])CNC(=O)NCCCCNc1cccc[nH+]1 ZINC000641425403 377102868 /nfs/dbraw/zinc/10/28/68/377102868.db2.gz PIQSGDJIJYRDJQ-NSHDSACASA-N 2 2 265.361 0.920 20 0 CCADLP CCOCC[C@@H](O)C[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000569228410 291661365 /nfs/dbraw/zinc/66/13/65/291661365.db2.gz DMNGKYCXONLQGY-OLZOCXBDSA-N 2 2 276.446 0.801 20 0 CCADLP O=c1[nH]c2ccc(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)cc2[nH]1 ZINC000641710329 377410147 /nfs/dbraw/zinc/41/01/47/377410147.db2.gz SOTYFRTZZDORQE-GFCCVEGCSA-N 2 2 290.367 0.815 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000641772542 377456271 /nfs/dbraw/zinc/45/62/71/377456271.db2.gz QNIBCUWXQPYIQX-HNNXBMFYSA-N 2 2 293.411 0.968 20 0 CCADLP FC1(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000641786918 377463689 /nfs/dbraw/zinc/46/36/89/377463689.db2.gz LTGJMWMLNXDDEB-AWEZNQCLSA-N 2 2 285.407 0.875 20 0 CCADLP CNS(=O)(=O)CCC[N@@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000641805229 377476243 /nfs/dbraw/zinc/47/62/43/377476243.db2.gz DTBKQEFDQLAKCU-UTUOFQBUSA-N 2 2 277.434 0.373 20 0 CCADLP CNS(=O)(=O)CCC[N@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000641805229 377476252 /nfs/dbraw/zinc/47/62/52/377476252.db2.gz DTBKQEFDQLAKCU-UTUOFQBUSA-N 2 2 277.434 0.373 20 0 CCADLP COc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cn1 ZINC000422965862 249011752 /nfs/dbraw/zinc/01/17/52/249011752.db2.gz PXLKCPCVAYULCV-DZGCQCFKSA-N 2 2 277.368 0.947 20 0 CCADLP C[NH+]1CCN(C(=O)NC[C@@H]2COCC[N@H+]2C)CC1(C)C ZINC000641845324 377510213 /nfs/dbraw/zinc/51/02/13/377510213.db2.gz UGMLMPATPWGENK-GFCCVEGCSA-N 2 2 284.404 0.053 20 0 CCADLP C[NH+]1CCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC1(C)C ZINC000641845324 377510217 /nfs/dbraw/zinc/51/02/17/377510217.db2.gz UGMLMPATPWGENK-GFCCVEGCSA-N 2 2 284.404 0.053 20 0 CCADLP C[NH+]1CCOC[C@H]1CNC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000641845324 377510223 /nfs/dbraw/zinc/51/02/23/377510223.db2.gz UGMLMPATPWGENK-GFCCVEGCSA-N 2 2 284.404 0.053 20 0 CCADLP C[NH+]1CCOC[C@H]1CNC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000641845324 377510228 /nfs/dbraw/zinc/51/02/28/377510228.db2.gz UGMLMPATPWGENK-GFCCVEGCSA-N 2 2 284.404 0.053 20 0 CCADLP CCS(=O)(=O)NCCC[NH2+]C(C)(C)C[NH+](C)C ZINC000459548596 249042085 /nfs/dbraw/zinc/04/20/85/249042085.db2.gz MFHIIRFMNQKEJK-UHFFFAOYSA-N 2 2 265.423 0.246 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NCc1ccc(C[NH3+])cc1 ZINC000569359039 291672954 /nfs/dbraw/zinc/67/29/54/291672954.db2.gz YKSSHENFJAAALO-UHFFFAOYSA-N 2 2 273.340 0.878 20 0 CCADLP C[C@@H]([NH2+]Cc1cc(=O)n2ccccc2n1)[C@@H]1CCC[NH2+]1 ZINC000515063585 249118794 /nfs/dbraw/zinc/11/87/94/249118794.db2.gz ALPYCTLRTKANMJ-YPMHNXCESA-N 2 2 272.352 0.925 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NCC1CC[NH+](C)CC1 ZINC000514639571 249096158 /nfs/dbraw/zinc/09/61/58/249096158.db2.gz BFJLRZXLMGABBS-UHFFFAOYSA-N 2 2 265.361 0.561 20 0 CCADLP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1nc[nH+]c2c1OCCN2 ZINC000642302677 377554781 /nfs/dbraw/zinc/55/47/81/377554781.db2.gz RMLAYPVOKSPADB-WDEREUQCSA-N 2 2 293.371 0.172 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1c1nc[nH+]c2c1OCCN2 ZINC000642302677 377554791 /nfs/dbraw/zinc/55/47/91/377554791.db2.gz RMLAYPVOKSPADB-WDEREUQCSA-N 2 2 293.371 0.172 20 0 CCADLP C[C@@H]1CN(c2cc[nH+]c(N3CCOCC3)n2)[C@@H](C)C[NH2+]1 ZINC000515622856 249139354 /nfs/dbraw/zinc/13/93/54/249139354.db2.gz KOWBHVBXSXPEON-NEPJUHHUSA-N 2 2 277.372 0.500 20 0 CCADLP CC(C)[NH2+]CCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000515634076 249140244 /nfs/dbraw/zinc/14/02/44/249140244.db2.gz MKBYYYAHGYMEFM-ZIAGYGMSSA-N 3 2 255.406 0.731 20 0 CCADLP Cc1nc2ccccn2c1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000515671723 249142058 /nfs/dbraw/zinc/14/20/58/249142058.db2.gz UQWYMRCDJMKYIE-CHWSQXEVSA-N 2 2 299.378 0.387 20 0 CCADLP Cc1nc2ccccn2c1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000515671723 249142060 /nfs/dbraw/zinc/14/20/60/249142060.db2.gz UQWYMRCDJMKYIE-CHWSQXEVSA-N 2 2 299.378 0.387 20 0 CCADLP C[C@@H]1C[C@H](CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CCO1 ZINC000516916527 249189049 /nfs/dbraw/zinc/18/90/49/249189049.db2.gz OZIAVYFIDQIAKY-JHJVBQTASA-N 2 2 284.404 0.086 20 0 CCADLP C[C@@H]1C[C@H](CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CCO1 ZINC000516916527 249189051 /nfs/dbraw/zinc/18/90/51/249189051.db2.gz OZIAVYFIDQIAKY-JHJVBQTASA-N 2 2 284.404 0.086 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000516937958 249192113 /nfs/dbraw/zinc/19/21/13/249192113.db2.gz QPMQLQMYDXURDU-LLVKDONJSA-N 2 2 250.346 0.861 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000516937958 249192115 /nfs/dbraw/zinc/19/21/15/249192115.db2.gz QPMQLQMYDXURDU-LLVKDONJSA-N 2 2 250.346 0.861 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCc2[nH+]ccn2C1)[NH+]1CC(C)C1 ZINC000516980582 249196734 /nfs/dbraw/zinc/19/67/34/249196734.db2.gz ZVGONPJZUOJNKZ-OLZOCXBDSA-N 2 2 276.384 0.902 20 0 CCADLP C[N@@H+]1CCO[C@@H](CSCCC[NH+]2CCOCC2)C1 ZINC000517934977 249235216 /nfs/dbraw/zinc/23/52/16/249235216.db2.gz HBGYQJVMVCCMHF-CYBMUJFWSA-N 2 2 274.430 0.773 20 0 CCADLP C[N@H+]1CCO[C@@H](CSCCC[NH+]2CCOCC2)C1 ZINC000517934977 249235217 /nfs/dbraw/zinc/23/52/17/249235217.db2.gz HBGYQJVMVCCMHF-CYBMUJFWSA-N 2 2 274.430 0.773 20 0 CCADLP C[C@H]1[NH2+]CCC[C@@H]1Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000643034783 377699083 /nfs/dbraw/zinc/69/90/83/377699083.db2.gz FWNYTPYADGMPBT-NEPJUHHUSA-N 2 2 277.372 0.866 20 0 CCADLP CC1(C)CN(c2cc(-n3cc[nH+]c3)ncn2)CC[NH2+]1 ZINC000643049775 377706618 /nfs/dbraw/zinc/70/66/18/377706618.db2.gz GOSCLLIRCGBEOC-UHFFFAOYSA-N 2 2 258.329 0.851 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000278281506 193895507 /nfs/dbraw/zinc/89/55/07/193895507.db2.gz QAAFOHOZSSCGHQ-LLVKDONJSA-N 2 2 266.345 0.128 20 0 CCADLP c1cc2c(cc1C[NH2+]C[C@@H]1C[NH2+]CCCO1)OCCO2 ZINC000574739413 335043562 /nfs/dbraw/zinc/04/35/62/335043562.db2.gz XYSJZWRCTXTNRV-ZDUSSCGKSA-N 2 2 278.352 0.926 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)CCc1[nH]cc[nH+]1 ZINC000279136880 194300849 /nfs/dbraw/zinc/30/08/49/194300849.db2.gz FPVRTGREZQQQIV-LLVKDONJSA-N 2 2 266.345 0.179 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCNC2=O)C[N@@H+]1C1CC1 ZINC000657284666 412954921 /nfs/dbraw/zinc/95/49/21/412954921.db2.gz UVTBDDHLDHGOTH-WOPDTQHZSA-N 2 2 251.374 0.727 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCNC2=O)C[N@H+]1C1CC1 ZINC000657284666 412954924 /nfs/dbraw/zinc/95/49/24/412954924.db2.gz UVTBDDHLDHGOTH-WOPDTQHZSA-N 2 2 251.374 0.727 20 0 CCADLP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657305526 412959067 /nfs/dbraw/zinc/95/90/67/412959067.db2.gz ZRSPSYWIIUUWOP-UHFFFAOYSA-N 3 2 291.443 0.945 20 0 CCADLP Cc1[nH]c(CNC[C@H](O)C[NH+]2CCCCC2)[nH+]c1C ZINC000657327549 412960332 /nfs/dbraw/zinc/96/03/32/412960332.db2.gz WJDYGLVVARMOGX-ZDUSSCGKSA-N 2 2 266.389 0.963 20 0 CCADLP CS(=O)(=O)N1CCC[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657334672 412961117 /nfs/dbraw/zinc/96/11/17/412961117.db2.gz BKUYBSONCQSXNY-LLVKDONJSA-N 2 2 298.412 0.343 20 0 CCADLP Cc1nc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)[nH]c1C ZINC000657346971 412965125 /nfs/dbraw/zinc/96/51/25/412965125.db2.gz RSLXFFSLKYZIKQ-UHFFFAOYSA-N 2 2 279.388 0.280 20 0 CCADLP C[C@H]1CN(CC[NH2+]Cc2c[nH+]c3n2CCC3)CCO1 ZINC000657348637 412966330 /nfs/dbraw/zinc/96/63/30/412966330.db2.gz BZESIXBRECDFSH-LBPRGKRZSA-N 2 2 264.373 0.640 20 0 CCADLP CCS(=O)(=O)NCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246580541 285025979 /nfs/dbraw/zinc/02/59/79/285025979.db2.gz FKCWCXWSDGMELA-NWDGAFQWSA-N 2 2 277.434 0.340 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246580541 285025980 /nfs/dbraw/zinc/02/59/80/285025980.db2.gz FKCWCXWSDGMELA-NWDGAFQWSA-N 2 2 277.434 0.340 20 0 CCADLP CCS(=O)(=O)NCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246580541 285025981 /nfs/dbraw/zinc/02/59/81/285025981.db2.gz FKCWCXWSDGMELA-NWDGAFQWSA-N 2 2 277.434 0.340 20 0 CCADLP CCS(=O)(=O)NCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246580541 285025982 /nfs/dbraw/zinc/02/59/82/285025982.db2.gz FKCWCXWSDGMELA-NWDGAFQWSA-N 2 2 277.434 0.340 20 0 CCADLP C[C@H]([NH2+]C[C@H]1CC[C@@H](C(=O)N(C)C)O1)[C@H]1CCC[NH2+]1 ZINC000571872452 291842523 /nfs/dbraw/zinc/84/25/23/291842523.db2.gz CKYOSVOZIYQEGS-LOWDOPEQSA-N 2 2 269.389 0.352 20 0 CCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@H]1CC(F)(F)C[NH2+]1 ZINC000335285502 208102685 /nfs/dbraw/zinc/10/26/85/208102685.db2.gz YLCOMYPDVQZYIJ-JGVFFNPUSA-N 2 2 283.269 0.345 20 0 CCADLP COCCOC[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657380091 412978498 /nfs/dbraw/zinc/97/84/98/412978498.db2.gz GSDHSCFYORGWJI-LLVKDONJSA-N 2 2 253.346 0.970 20 0 CCADLP CC[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)C(=O)N1CCOCC1 ZINC000657391503 412980628 /nfs/dbraw/zinc/98/06/28/412980628.db2.gz LYQUZSWBGKSXGE-CYBMUJFWSA-N 2 2 292.383 0.556 20 0 CCADLP O=C(NC1C[NH2+]C1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000335380895 208324372 /nfs/dbraw/zinc/32/43/72/208324372.db2.gz YRIKSOXROHKULK-UHFFFAOYSA-N 2 2 292.358 0.625 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(CC[NH+]2CCOC[C@@H]2C)[C@H](C)C1 ZINC000249273989 285106949 /nfs/dbraw/zinc/10/69/49/285106949.db2.gz KJJYVOAVOWFXND-ILXRZTDVSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(CC[NH+]2CCOC[C@@H]2C)[C@H](C)C1 ZINC000249273989 285106951 /nfs/dbraw/zinc/10/69/51/285106951.db2.gz KJJYVOAVOWFXND-ILXRZTDVSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@H](O)C[NH+]1CCN(CC[N@@H+]2CCOC[C@@H]2C)[C@H](C)C1 ZINC000249273989 285106953 /nfs/dbraw/zinc/10/69/53/285106953.db2.gz KJJYVOAVOWFXND-ILXRZTDVSA-N 2 2 285.432 0.094 20 0 CCADLP [NH3+][C@H]1C[C@@H](C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000572290192 291869984 /nfs/dbraw/zinc/86/99/84/291869984.db2.gz JHUSJELURUJQPU-BETUJISGSA-N 2 2 290.367 0.272 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000250820635 285144833 /nfs/dbraw/zinc/14/48/33/285144833.db2.gz RXWHFHMAPCYXBU-FZKCQIBNSA-N 2 2 276.380 0.781 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000250820635 285144834 /nfs/dbraw/zinc/14/48/34/285144834.db2.gz RXWHFHMAPCYXBU-FZKCQIBNSA-N 2 2 276.380 0.781 20 0 CCADLP NC(=O)[C@@H]1CCCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000250821938 285144840 /nfs/dbraw/zinc/14/48/40/285144840.db2.gz SVNKRXKFCDEQNX-KKUMJFAQSA-N 2 2 291.395 0.257 20 0 CCADLP NC(=O)[C@@H]1CCCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000250821938 285144841 /nfs/dbraw/zinc/14/48/41/285144841.db2.gz SVNKRXKFCDEQNX-KKUMJFAQSA-N 2 2 291.395 0.257 20 0 CCADLP O=C(COC1CC[NH2+]CC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000572397605 291876811 /nfs/dbraw/zinc/87/68/11/291876811.db2.gz FQBADMWMCPFIHD-GFCCVEGCSA-N 2 2 292.383 0.884 20 0 CCADLP C[NH+](C)C[C@@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000305100392 285169329 /nfs/dbraw/zinc/16/93/29/285169329.db2.gz AXMYSWLPWFXCDY-AWEZNQCLSA-N 3 2 255.406 0.373 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337279464 285183329 /nfs/dbraw/zinc/18/33/29/285183329.db2.gz UGXRXLVBUXDFGV-LBPRGKRZSA-N 2 2 296.415 0.781 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337279464 285183330 /nfs/dbraw/zinc/18/33/30/285183330.db2.gz UGXRXLVBUXDFGV-LBPRGKRZSA-N 2 2 296.415 0.781 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000423756618 533148684 /nfs/dbraw/zinc/14/86/84/533148684.db2.gz GXXLESGNHCBKOD-ZDUSSCGKSA-N 2 2 288.351 0.852 20 0 CCADLP CC[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[N@@H+]1C[C@H](C)O ZINC000288542440 197107373 /nfs/dbraw/zinc/10/73/73/197107373.db2.gz QFLNSWGFFSMREG-STQMWFEESA-N 2 2 294.399 0.646 20 0 CCADLP CC[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[N@H+]1C[C@H](C)O ZINC000288542440 197107374 /nfs/dbraw/zinc/10/73/74/197107374.db2.gz QFLNSWGFFSMREG-STQMWFEESA-N 2 2 294.399 0.646 20 0 CCADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccnc(OC)n2)C1 ZINC000395115499 285220460 /nfs/dbraw/zinc/22/04/60/285220460.db2.gz GBSXHZGJSHRWCD-LLVKDONJSA-N 2 2 250.346 0.917 20 0 CCADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccnc(OC)n2)C1 ZINC000395115499 285220463 /nfs/dbraw/zinc/22/04/63/285220463.db2.gz GBSXHZGJSHRWCD-LLVKDONJSA-N 2 2 250.346 0.917 20 0 CCADLP COC[C@@H](CC[NH2+]Cc1c[nH+]c2n1CCC2)OC ZINC000657552633 413022289 /nfs/dbraw/zinc/02/22/89/413022289.db2.gz FJMODQIYEBHTMQ-GFCCVEGCSA-N 2 2 253.346 0.970 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000173865976 285286385 /nfs/dbraw/zinc/28/63/85/285286385.db2.gz UQRWYAFEMDCHNX-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000173865976 285286387 /nfs/dbraw/zinc/28/63/87/285286387.db2.gz UQRWYAFEMDCHNX-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H]1C[N@H+](CCNc2[nH+]cnc3[nH]ccc32)CCO1 ZINC000524166585 285309748 /nfs/dbraw/zinc/30/97/48/285309748.db2.gz OWCZVCXVTNYZNG-JTQLQIEISA-N 2 2 261.329 0.512 20 0 CCADLP C[C@H]1C[N@@H+](CCNc2[nH+]cnc3[nH]ccc32)CCO1 ZINC000524166585 285309750 /nfs/dbraw/zinc/30/97/50/285309750.db2.gz OWCZVCXVTNYZNG-JTQLQIEISA-N 2 2 261.329 0.512 20 0 CCADLP CCN1CC[NH+](CCC(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)CC1 ZINC000356836239 285315431 /nfs/dbraw/zinc/31/54/31/285315431.db2.gz CPKRMEGGOUZAQX-LSDHHAIUSA-N 2 2 296.459 0.565 20 0 CCADLP CCN1CC[NH+](CCC(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)CC1 ZINC000356836239 285315432 /nfs/dbraw/zinc/31/54/32/285315432.db2.gz CPKRMEGGOUZAQX-LSDHHAIUSA-N 2 2 296.459 0.565 20 0 CCADLP CCN1CC[NH+](CCC(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)CC1 ZINC000356836231 285315474 /nfs/dbraw/zinc/31/54/74/285315474.db2.gz CPKRMEGGOUZAQX-CABCVRRESA-N 2 2 296.459 0.565 20 0 CCADLP CCN1CC[NH+](CCC(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)CC1 ZINC000356836231 285315476 /nfs/dbraw/zinc/31/54/76/285315476.db2.gz CPKRMEGGOUZAQX-CABCVRRESA-N 2 2 296.459 0.565 20 0 CCADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000185222952 388794101 /nfs/dbraw/zinc/79/41/01/388794101.db2.gz BJNBKRKDESOCNI-CQSZACIVSA-N 3 2 266.389 0.550 20 0 CCADLP C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@@H+]1CC(C)(C)O ZINC000283217491 388763839 /nfs/dbraw/zinc/76/38/39/388763839.db2.gz SBBXEGKUUXGJKQ-ZYOFXKKJSA-N 2 2 292.383 0.727 20 0 CCADLP C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@H+]1CC(C)(C)O ZINC000283217491 388763843 /nfs/dbraw/zinc/76/38/43/388763843.db2.gz SBBXEGKUUXGJKQ-ZYOFXKKJSA-N 2 2 292.383 0.727 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]Cc1c(C)nn(C)c1C ZINC000184544373 388774339 /nfs/dbraw/zinc/77/43/39/388774339.db2.gz YVBBISGDBKQGAT-UHFFFAOYSA-N 2 2 254.378 0.441 20 0 CCADLP CC(C)([NH3+])C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000040923232 388859244 /nfs/dbraw/zinc/85/92/44/388859244.db2.gz BNJCCXBFIRQQSM-UHFFFAOYSA-N 2 2 262.357 0.463 20 0 CCADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]C1CCN(C(N)=O)CC1 ZINC000037319692 388846674 /nfs/dbraw/zinc/84/66/74/388846674.db2.gz KOTALUAXHKVEPF-LBPRGKRZSA-N 2 2 268.405 0.994 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000289831440 388896120 /nfs/dbraw/zinc/89/61/20/388896120.db2.gz JTFSIYOMGPBUPQ-GFCCVEGCSA-N 2 2 250.346 0.731 20 0 CCADLP COC[C@@H](C)C[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000045657497 388875201 /nfs/dbraw/zinc/87/52/01/388875201.db2.gz QLKJNSDRYRLFHL-LBPRGKRZSA-N 2 2 271.405 0.411 20 0 CCADLP C[C@H]1C[C@H](NC(=O)NCc2c[nH+]cn2C)C[N@@H+]1C1CC1 ZINC000290803580 388913470 /nfs/dbraw/zinc/91/34/70/388913470.db2.gz UZHDCXMZMNCRIC-QWRGUYRKSA-N 2 2 277.372 0.845 20 0 CCADLP C[C@H]1C[C@H](NC(=O)NCc2c[nH+]cn2C)C[N@H+]1C1CC1 ZINC000290803580 388913475 /nfs/dbraw/zinc/91/34/75/388913475.db2.gz UZHDCXMZMNCRIC-QWRGUYRKSA-N 2 2 277.372 0.845 20 0 CCADLP [NH3+]CC(F)(F)CNC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000190245431 388985858 /nfs/dbraw/zinc/98/58/58/388985858.db2.gz BRASIDABVSKLKY-NSHDSACASA-N 2 2 269.295 0.584 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H]1CN1CCOCC1)C1CC1 ZINC000336848195 389027783 /nfs/dbraw/zinc/02/77/83/389027783.db2.gz IBOMDHCJNDJLCX-HOTGVXAUSA-N 2 2 297.443 0.238 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H]1CN1CCOCC1)C1CC1 ZINC000336848195 389027786 /nfs/dbraw/zinc/02/77/86/389027786.db2.gz IBOMDHCJNDJLCX-HOTGVXAUSA-N 2 2 297.443 0.238 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H]1CN1CCOCC1)C1CC1 ZINC000336848195 389027789 /nfs/dbraw/zinc/02/77/89/389027789.db2.gz IBOMDHCJNDJLCX-HOTGVXAUSA-N 2 2 297.443 0.238 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H]1CN1CCOCC1)C1CC1 ZINC000336848195 389027792 /nfs/dbraw/zinc/02/77/92/389027792.db2.gz IBOMDHCJNDJLCX-HOTGVXAUSA-N 2 2 297.443 0.238 20 0 CCADLP C[N@H+](C[C@H](O)CN1CCC[C@H]1C[NH+]1CCOCC1)C1CC1 ZINC000336848195 389027796 /nfs/dbraw/zinc/02/77/96/389027796.db2.gz IBOMDHCJNDJLCX-HOTGVXAUSA-N 2 2 297.443 0.238 20 0 CCADLP C[N@@H+](C[C@H](O)CN1CCC[C@H]1C[NH+]1CCOCC1)C1CC1 ZINC000336848195 389027798 /nfs/dbraw/zinc/02/77/98/389027798.db2.gz IBOMDHCJNDJLCX-HOTGVXAUSA-N 2 2 297.443 0.238 20 0 CCADLP CO[C@@]1(C)CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336793220 389019433 /nfs/dbraw/zinc/01/94/33/389019433.db2.gz VVDGYWYQJBWSNU-KGLIPLIRSA-N 2 2 256.390 0.942 20 0 CCADLP CO[C@@]1(C)CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336793220 389019435 /nfs/dbraw/zinc/01/94/35/389019435.db2.gz VVDGYWYQJBWSNU-KGLIPLIRSA-N 2 2 256.390 0.942 20 0 CCADLP CO[C@@]1(C)CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000336793220 389019437 /nfs/dbraw/zinc/01/94/37/389019437.db2.gz VVDGYWYQJBWSNU-KGLIPLIRSA-N 2 2 256.390 0.942 20 0 CCADLP CO[C@@]1(C)CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336793220 389019444 /nfs/dbraw/zinc/01/94/44/389019444.db2.gz VVDGYWYQJBWSNU-KGLIPLIRSA-N 2 2 256.390 0.942 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@](O)(C(F)(F)F)C1)C1CC1 ZINC000336811093 389023370 /nfs/dbraw/zinc/02/33/70/389023370.db2.gz LAVCTBXXKGQUNS-MNOVXSKESA-N 2 2 282.306 0.441 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@](O)(C(F)(F)F)C1)C1CC1 ZINC000336811093 389023372 /nfs/dbraw/zinc/02/33/72/389023372.db2.gz LAVCTBXXKGQUNS-MNOVXSKESA-N 2 2 282.306 0.441 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1)C1CC1 ZINC000336811093 389023376 /nfs/dbraw/zinc/02/33/76/389023376.db2.gz LAVCTBXXKGQUNS-MNOVXSKESA-N 2 2 282.306 0.441 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@](O)(C(F)(F)F)C1)C1CC1 ZINC000336811093 389023379 /nfs/dbraw/zinc/02/33/79/389023379.db2.gz LAVCTBXXKGQUNS-MNOVXSKESA-N 2 2 282.306 0.441 20 0 CCADLP CN(CC[C@@H]1CCC[N@@H+]1C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000336822906 389024631 /nfs/dbraw/zinc/02/46/31/389024631.db2.gz NKCIREHFSBYEPM-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP CN(CC[C@@H]1CCC[N@H+]1C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000336822906 389024633 /nfs/dbraw/zinc/02/46/33/389024633.db2.gz NKCIREHFSBYEPM-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000355308349 389057591 /nfs/dbraw/zinc/05/75/91/389057591.db2.gz ASCWSGIYQNLRNS-CHWSQXEVSA-N 2 2 269.389 0.165 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000355308349 389057592 /nfs/dbraw/zinc/05/75/92/389057592.db2.gz ASCWSGIYQNLRNS-CHWSQXEVSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCN1CC[NH+](C2CC2)CC1 ZINC000192973714 389059024 /nfs/dbraw/zinc/05/90/24/389059024.db2.gz DOTRQEXRYFOWKI-ZDUSSCGKSA-N 2 2 253.390 0.487 20 0 CCADLP C[C@H]1COCC[N@H+]1CCN1CC[NH+](C2CC2)CC1 ZINC000192973714 389059028 /nfs/dbraw/zinc/05/90/28/389059028.db2.gz DOTRQEXRYFOWKI-ZDUSSCGKSA-N 2 2 253.390 0.487 20 0 CCADLP CC(C)c1nc(N(C)C)nc(NC[C@](C)(O)C[NH+](C)C)[nH+]1 ZINC000301908849 389060420 /nfs/dbraw/zinc/06/04/20/389060420.db2.gz AVFOMSULDNYFCA-AWEZNQCLSA-N 2 2 296.419 0.786 20 0 CCADLP CC(C)c1nc(NC[C@](C)(O)C[NH+](C)C)nc(N(C)C)[nH+]1 ZINC000301908849 389060424 /nfs/dbraw/zinc/06/04/24/389060424.db2.gz AVFOMSULDNYFCA-AWEZNQCLSA-N 2 2 296.419 0.786 20 0 CCADLP CCn1ncnc1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000193456175 389069676 /nfs/dbraw/zinc/06/96/76/389069676.db2.gz QYPCSSGIJXWSSX-UHFFFAOYSA-N 2 2 280.420 0.367 20 0 CCADLP Cc1cc(N2CC[N@H+](CCO)[C@@H](C)C2)nc(C)[nH+]1 ZINC000302399978 389070272 /nfs/dbraw/zinc/07/02/72/389070272.db2.gz JUTZKXIPZGQCAL-NSHDSACASA-N 2 2 250.346 0.596 20 0 CCADLP Cc1cc(N2CC[N@@H+](CCO)[C@@H](C)C2)nc(C)[nH+]1 ZINC000302399978 389070273 /nfs/dbraw/zinc/07/02/73/389070273.db2.gz JUTZKXIPZGQCAL-NSHDSACASA-N 2 2 250.346 0.596 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338163673 389081196 /nfs/dbraw/zinc/08/11/96/389081196.db2.gz ITCFQCMQRUHWHD-UHFFFAOYSA-N 2 2 294.399 0.809 20 0 CCADLP CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000093175631 389034766 /nfs/dbraw/zinc/03/47/66/389034766.db2.gz XHHCPWVZNUUZFS-KGLIPLIRSA-N 2 2 297.443 0.896 20 0 CCADLP CCO[C@H]1C[C@@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000093175631 389034768 /nfs/dbraw/zinc/03/47/68/389034768.db2.gz XHHCPWVZNUUZFS-KGLIPLIRSA-N 2 2 297.443 0.896 20 0 CCADLP CC(C)OC(=O)[C@H](C)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338271566 389101732 /nfs/dbraw/zinc/10/17/32/389101732.db2.gz NEYIMYKFQNUTDF-ZDUSSCGKSA-N 2 2 299.415 0.422 20 0 CCADLP CC(C)OC(=O)[C@H](C)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338271566 389101736 /nfs/dbraw/zinc/10/17/36/389101736.db2.gz NEYIMYKFQNUTDF-ZDUSSCGKSA-N 2 2 299.415 0.422 20 0 CCADLP CCC[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000338282300 389104655 /nfs/dbraw/zinc/10/46/55/389104655.db2.gz WUEWZIPGKGSJJT-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP CCC[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000338282300 389104657 /nfs/dbraw/zinc/10/46/57/389104657.db2.gz WUEWZIPGKGSJJT-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](NC(=O)NC)C1 ZINC000338285074 389105501 /nfs/dbraw/zinc/10/55/01/389105501.db2.gz LQYMVTHWGAJNBW-GFCCVEGCSA-N 2 2 256.394 0.722 20 0 CCADLP CC[NH+](CC)CCC[N@H+]1CC[C@@H](NC(=O)NC)C1 ZINC000338285074 389105503 /nfs/dbraw/zinc/10/55/03/389105503.db2.gz LQYMVTHWGAJNBW-GFCCVEGCSA-N 2 2 256.394 0.722 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)c1cc(C[NH+](C)C)on1 ZINC000355697576 389112978 /nfs/dbraw/zinc/11/29/78/389112978.db2.gz CQSQLJUGHNSAOS-LLVKDONJSA-N 2 2 296.371 0.187 20 0 CCADLP CC(C)[C@@H](C)NC(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313352194 389113196 /nfs/dbraw/zinc/11/31/96/389113196.db2.gz OARASOACJMCIMV-NEPJUHHUSA-N 2 2 257.378 0.197 20 0 CCADLP CC(C)[C@@H](C)NC(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313352194 389113197 /nfs/dbraw/zinc/11/31/97/389113197.db2.gz OARASOACJMCIMV-NEPJUHHUSA-N 2 2 257.378 0.197 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000356149675 389121004 /nfs/dbraw/zinc/12/10/04/389121004.db2.gz FZVSVMXCJNASNR-QWHCGFSZSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000356149675 389121006 /nfs/dbraw/zinc/12/10/06/389121006.db2.gz FZVSVMXCJNASNR-QWHCGFSZSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@@H]1CN(CC[N@H+](C)CCn2cc[nH+]c2)C[C@H](C)O1 ZINC000195306187 389123335 /nfs/dbraw/zinc/12/33/35/389123335.db2.gz SOSYEZZOOCGXLS-OKILXGFUSA-N 2 2 266.389 0.924 20 0 CCADLP C[C@@H]1CN(CC[N@@H+](C)CCn2cc[nH+]c2)C[C@H](C)O1 ZINC000195306187 389123338 /nfs/dbraw/zinc/12/33/38/389123338.db2.gz SOSYEZZOOCGXLS-OKILXGFUSA-N 2 2 266.389 0.924 20 0 CCADLP CN1CC[C@@H]([NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC000116279133 389132990 /nfs/dbraw/zinc/13/29/90/389132990.db2.gz VOJXSVUPJNMCMD-HUUCEWRRSA-N 2 2 294.443 0.319 20 0 CCADLP CN1CC[C@@H]([NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C1=O ZINC000116279133 389132992 /nfs/dbraw/zinc/13/29/92/389132992.db2.gz VOJXSVUPJNMCMD-HUUCEWRRSA-N 2 2 294.443 0.319 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1CNCc1[nH+]cc(C)n1C ZINC000341044114 389184904 /nfs/dbraw/zinc/18/49/04/389184904.db2.gz JXZIJTCEWXEFSE-CYBMUJFWSA-N 2 2 266.389 0.929 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1CNCc1[nH+]cc(C)n1C ZINC000341044114 389184909 /nfs/dbraw/zinc/18/49/09/389184909.db2.gz JXZIJTCEWXEFSE-CYBMUJFWSA-N 2 2 266.389 0.929 20 0 CCADLP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCOCC1)C[NH+](C)C ZINC000341230615 389186277 /nfs/dbraw/zinc/18/62/77/389186277.db2.gz QWKRWISZVZLQHN-LBPRGKRZSA-N 2 2 271.405 0.411 20 0 CCADLP C[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000237462556 389189459 /nfs/dbraw/zinc/18/94/59/389189459.db2.gz APTDEJMGTPYAJO-TZMCWYRMSA-N 2 2 277.368 0.523 20 0 CCADLP CC(C)[C@@H](C(=O)N1CC[NH+](C)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000341752017 389192167 /nfs/dbraw/zinc/19/21/67/389192167.db2.gz XGIIBNWMKROZJF-KFWWJZLASA-N 2 2 297.443 0.894 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](CO)[C@H]1CCOC1 ZINC000360885977 389206245 /nfs/dbraw/zinc/20/62/45/389206245.db2.gz UBFFQOBCEBLERJ-COMQUAJESA-N 2 2 268.401 0.704 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](CO)[C@H]1CCOC1 ZINC000360885977 389206247 /nfs/dbraw/zinc/20/62/47/389206247.db2.gz UBFFQOBCEBLERJ-COMQUAJESA-N 2 2 268.401 0.704 20 0 CCADLP C[C@@H](C(=O)NCC[NH+]1CCOCC1)[C@@H]([NH3+])c1ccccc1 ZINC000130078398 389197694 /nfs/dbraw/zinc/19/76/94/389197694.db2.gz APUJHOYUNNOJAN-UKRRQHHQSA-N 2 2 291.395 0.771 20 0 CCADLP Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000229087354 389155753 /nfs/dbraw/zinc/15/57/53/389155753.db2.gz NLKUZDZECPTZTB-GWCFXTLKSA-N 2 2 293.415 0.892 20 0 CCADLP Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000229087354 389155755 /nfs/dbraw/zinc/15/57/55/389155755.db2.gz NLKUZDZECPTZTB-GWCFXTLKSA-N 2 2 293.415 0.892 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@H](CO)C2CCOCC2)C[N@@H+]1C1CC1 ZINC000360796885 389204408 /nfs/dbraw/zinc/20/44/08/389204408.db2.gz ACKXMJFLCYTVHR-OSAQELSMSA-N 2 2 268.401 0.989 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@H](CO)C2CCOCC2)C[N@H+]1C1CC1 ZINC000360796885 389204410 /nfs/dbraw/zinc/20/44/10/389204410.db2.gz ACKXMJFLCYTVHR-OSAQELSMSA-N 2 2 268.401 0.989 20 0 CCADLP C[C@H](CN1CCOCC1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000340911248 389165345 /nfs/dbraw/zinc/16/53/45/389165345.db2.gz LGQYSPYYRZPLOD-CQSZACIVSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H](CN1CCOCC1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000340911248 389165348 /nfs/dbraw/zinc/16/53/48/389165348.db2.gz LGQYSPYYRZPLOD-CQSZACIVSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H]1CC[N@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1n1cc[nH+]c1 ZINC000329474022 389165580 /nfs/dbraw/zinc/16/55/80/389165580.db2.gz BMFAQFKANIHLRC-GHMZBOCLSA-N 2 2 276.344 0.388 20 0 CCADLP C[C@@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C[C@H]1n1cc[nH+]c1 ZINC000329474022 389165585 /nfs/dbraw/zinc/16/55/85/389165585.db2.gz BMFAQFKANIHLRC-GHMZBOCLSA-N 2 2 276.344 0.388 20 0 CCADLP O=C1[C@H]([NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CCN1CC(F)(F)F ZINC000359282774 389170576 /nfs/dbraw/zinc/17/05/76/389170576.db2.gz TWWZRMYZQXLPLC-LPEHRKFASA-N 2 2 277.290 0.301 20 0 CCADLP C[C@@H](CCS(C)(=O)=O)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000127136349 389173214 /nfs/dbraw/zinc/17/32/14/389173214.db2.gz LOCMLJVAUQHJBN-SDDRHHMPSA-N 2 2 262.419 0.882 20 0 CCADLP C[C@@H](CCS(C)(=O)=O)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000127136349 389173216 /nfs/dbraw/zinc/17/32/16/389173216.db2.gz LOCMLJVAUQHJBN-SDDRHHMPSA-N 2 2 262.419 0.882 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)CC[NH+]1CCOCC1 ZINC000236882702 389176242 /nfs/dbraw/zinc/17/62/42/389176242.db2.gz NWENTEDPHGNQHP-NEPJUHHUSA-N 2 2 257.378 0.150 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000134886204 389250351 /nfs/dbraw/zinc/25/03/51/389250351.db2.gz PYVHPDUDTXQVAC-SNVBAGLBSA-N 2 2 263.345 0.742 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000250752810 389261759 /nfs/dbraw/zinc/26/17/59/389261759.db2.gz OCAFEOUIZRNETK-OLZOCXBDSA-N 2 2 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KGAREYMOQFIRHQ-OAHLLOKOSA-N 2 2 297.443 0.945 20 0 CCADLP COCC[N@H+](C)CCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422845864 389489415 /nfs/dbraw/zinc/48/94/15/389489415.db2.gz OYIVECVEENGTOH-CABCVRRESA-N 3 2 285.432 0.311 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422845864 389489417 /nfs/dbraw/zinc/48/94/17/389489417.db2.gz OYIVECVEENGTOH-CABCVRRESA-N 3 2 285.432 0.311 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000163213533 389425801 /nfs/dbraw/zinc/42/58/01/389425801.db2.gz JVJUHIFRTPSVRJ-GHMZBOCLSA-N 2 2 270.377 0.281 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000163213533 389425803 /nfs/dbraw/zinc/42/58/03/389425803.db2.gz JVJUHIFRTPSVRJ-GHMZBOCLSA-N 2 2 270.377 0.281 20 0 CCADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CS(=O)(=O)CC)C1 ZINC000163996506 389431039 /nfs/dbraw/zinc/43/10/39/389431039.db2.gz VFBNIKLLLVZGRU-RYUDHWBXSA-N 2 2 262.419 0.741 20 0 CCADLP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CS(=O)(=O)CC)C1 ZINC000163996506 389431040 /nfs/dbraw/zinc/43/10/40/389431040.db2.gz VFBNIKLLLVZGRU-RYUDHWBXSA-N 2 2 262.419 0.741 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000163990358 389431468 /nfs/dbraw/zinc/43/14/68/389431468.db2.gz RNVXTLIPUDZPCM-NWDGAFQWSA-N 2 2 274.430 0.884 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000163990358 389431470 /nfs/dbraw/zinc/43/14/70/389431470.db2.gz RNVXTLIPUDZPCM-NWDGAFQWSA-N 2 2 274.430 0.884 20 0 CCADLP CN(C(=O)NCC[NH+]1CCOCC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000349780671 389434617 /nfs/dbraw/zinc/43/46/17/389434617.db2.gz XIEHASICAAGDPK-AWEZNQCLSA-N 2 2 296.415 0.197 20 0 CCADLP CN(C(=O)NCC[NH+]1CCOCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000349780671 389434619 /nfs/dbraw/zinc/43/46/19/389434619.db2.gz XIEHASICAAGDPK-AWEZNQCLSA-N 2 2 296.415 0.197 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1[nH+]ccn1C ZINC000349906002 389456548 /nfs/dbraw/zinc/45/65/48/389456548.db2.gz VRPRIIJGCJZVRL-LBPRGKRZSA-N 2 2 295.387 0.330 20 0 CCADLP COCC[N@H+]1CCC[C@H]1CNC(=O)NCc1[nH+]ccn1C ZINC000349906002 389456555 /nfs/dbraw/zinc/45/65/55/389456555.db2.gz VRPRIIJGCJZVRL-LBPRGKRZSA-N 2 2 295.387 0.330 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CCC[NH2+]CC1 ZINC000422715598 389457079 /nfs/dbraw/zinc/45/70/79/389457079.db2.gz SPMWOZBUTOYVCA-ZDUSSCGKSA-N 2 2 269.389 0.309 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CCC[NH2+]CC1 ZINC000422715598 389457083 /nfs/dbraw/zinc/45/70/83/389457083.db2.gz SPMWOZBUTOYVCA-ZDUSSCGKSA-N 2 2 269.389 0.309 20 0 CCADLP C(C[NH+]1CCSCC1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422718641 389458365 /nfs/dbraw/zinc/45/83/65/389458365.db2.gz XDKHEJPAOHQVCG-FUNVUKJBSA-N 2 2 255.431 0.908 20 0 CCADLP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000422725913 389459653 /nfs/dbraw/zinc/45/96/53/389459653.db2.gz CMSKEFJJBJYGGF-TZMCWYRMSA-N 2 2 281.400 0.498 20 0 CCADLP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000422725913 389459655 /nfs/dbraw/zinc/45/96/55/389459655.db2.gz CMSKEFJJBJYGGF-TZMCWYRMSA-N 2 2 281.400 0.498 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(OCCO)cc1 ZINC000422936785 389508300 /nfs/dbraw/zinc/50/83/00/389508300.db2.gz BVTVWIAROAQRPF-ZFWWWQNUSA-N 2 2 294.395 0.914 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000422976377 389514850 /nfs/dbraw/zinc/51/48/50/389514850.db2.gz IEJWCPMUVJXINS-ARFHVFGLSA-N 3 2 299.459 0.436 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422977358 389515081 /nfs/dbraw/zinc/51/50/81/389515081.db2.gz JUOAUKFYTLYITN-LXTVHRRPSA-N 3 2 269.433 0.809 20 0 CCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC000174374812 389520373 /nfs/dbraw/zinc/52/03/73/389520373.db2.gz QOMQCWBULSXHIV-CYBMUJFWSA-N 2 2 299.415 0.422 20 0 CCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC000174374812 389520379 /nfs/dbraw/zinc/52/03/79/389520379.db2.gz QOMQCWBULSXHIV-CYBMUJFWSA-N 2 2 299.415 0.422 20 0 CCADLP COC(=O)[C@@H]1CN(c2cc[nH+]c(C)n2)CC[N@H+](C)C1 ZINC000413492436 389520579 /nfs/dbraw/zinc/52/05/79/389520579.db2.gz DAWVCCVHZMQFHE-NSHDSACASA-N 2 2 264.329 0.326 20 0 CCADLP COC(=O)[C@@H]1CN(c2cc[nH+]c(C)n2)CC[N@@H+](C)C1 ZINC000413492436 389520583 /nfs/dbraw/zinc/52/05/83/389520583.db2.gz DAWVCCVHZMQFHE-NSHDSACASA-N 2 2 264.329 0.326 20 0 CCADLP FC(F)(F)OCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423069481 389528877 /nfs/dbraw/zinc/52/88/77/389528877.db2.gz LRAFZAFQZOMGEV-NXEZZACHSA-N 2 2 268.279 0.879 20 0 CCADLP FC(F)COCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423066221 389528951 /nfs/dbraw/zinc/52/89/51/389528951.db2.gz DAGHMJJNKNTBAI-ZYHUDNBSSA-N 2 2 264.316 0.625 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(N2CCOCC2)CC1 ZINC000423070536 389530739 /nfs/dbraw/zinc/53/07/39/389530739.db2.gz CZQYEUSRORAQSL-KBPBESRZSA-N 2 2 283.416 0.208 20 0 CCADLP CCOC1CC(O)(C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)C1 ZINC000423091553 389532840 /nfs/dbraw/zinc/53/28/40/389532840.db2.gz XNJWYQBZWUONIQ-KBHBFKLGSA-N 2 2 272.389 0.273 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC000174943921 389532979 /nfs/dbraw/zinc/53/29/79/389532979.db2.gz VTLSFGPPSNULLA-QWHCGFSZSA-N 2 2 253.390 0.881 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC000174943921 389532980 /nfs/dbraw/zinc/53/29/80/389532980.db2.gz VTLSFGPPSNULLA-QWHCGFSZSA-N 2 2 253.390 0.881 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000174943921 389532984 /nfs/dbraw/zinc/53/29/84/389532984.db2.gz VTLSFGPPSNULLA-QWHCGFSZSA-N 2 2 253.390 0.881 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000174943921 389532987 /nfs/dbraw/zinc/53/29/87/389532987.db2.gz VTLSFGPPSNULLA-QWHCGFSZSA-N 2 2 253.390 0.881 20 0 CCADLP CC[NH+](CC)CCC[N@@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000374024876 389536950 /nfs/dbraw/zinc/53/69/50/389536950.db2.gz TWWWQTYYCWEICR-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH+](CC)CCC[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000374024876 389536955 /nfs/dbraw/zinc/53/69/55/389536955.db2.gz TWWWQTYYCWEICR-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP CNC(=O)COc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000423115035 389537573 /nfs/dbraw/zinc/53/75/73/389537573.db2.gz WYQCDWZMEFBGOY-IUODEOHRSA-N 2 2 291.395 0.899 20 0 CCADLP CCCC[N@H+](C)C[C@H](C)N[C@@H]1CC[NH2+][C@H]1C(=O)OCC ZINC000423130433 389539988 /nfs/dbraw/zinc/53/99/88/389539988.db2.gz YIPABDBBCPRJGG-BFHYXJOUSA-N 2 2 285.432 0.990 20 0 CCADLP CCCC[N@@H+](C)C[C@H](C)N[C@@H]1CC[NH2+][C@H]1C(=O)OCC ZINC000423130433 389539990 /nfs/dbraw/zinc/53/99/90/389539990.db2.gz YIPABDBBCPRJGG-BFHYXJOUSA-N 2 2 285.432 0.990 20 0 CCADLP CCCC[N@H+](C)C[C@H](C)N[C@H]1CC[NH2+][C@@H]1C(=O)OCC ZINC000423130435 389540091 /nfs/dbraw/zinc/54/00/91/389540091.db2.gz YIPABDBBCPRJGG-IHRRRGAJSA-N 2 2 285.432 0.990 20 0 CCADLP CCCC[N@@H+](C)C[C@H](C)N[C@H]1CC[NH2+][C@@H]1C(=O)OCC ZINC000423130435 389540094 /nfs/dbraw/zinc/54/00/94/389540094.db2.gz YIPABDBBCPRJGG-IHRRRGAJSA-N 2 2 285.432 0.990 20 0 CCADLP CCC[N@H+](CC)C[C@H](C)N[C@H]1CC[NH2+][C@@H]1C(=O)OCC ZINC000423138338 389542049 /nfs/dbraw/zinc/54/20/49/389542049.db2.gz IWEWZOPDUMKBFX-IHRRRGAJSA-N 2 2 285.432 0.990 20 0 CCADLP CCC[N@@H+](CC)C[C@H](C)N[C@H]1CC[NH2+][C@@H]1C(=O)OCC ZINC000423138338 389542052 /nfs/dbraw/zinc/54/20/52/389542052.db2.gz IWEWZOPDUMKBFX-IHRRRGAJSA-N 2 2 285.432 0.990 20 0 CCADLP CCOCCNC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000175981928 389550996 /nfs/dbraw/zinc/55/09/96/389550996.db2.gz DSJVMBNXINYOHD-CHWSQXEVSA-N 2 2 271.405 0.554 20 0 CCADLP CCOCCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000175981928 389551001 /nfs/dbraw/zinc/55/10/01/389551001.db2.gz DSJVMBNXINYOHD-CHWSQXEVSA-N 2 2 271.405 0.554 20 0 CCADLP CCOCCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000175981928 389551008 /nfs/dbraw/zinc/55/10/08/389551008.db2.gz DSJVMBNXINYOHD-CHWSQXEVSA-N 2 2 271.405 0.554 20 0 CCADLP CCOCCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000175981928 389551012 /nfs/dbraw/zinc/55/10/12/389551012.db2.gz DSJVMBNXINYOHD-CHWSQXEVSA-N 2 2 271.405 0.554 20 0 CCADLP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423255711 389557342 /nfs/dbraw/zinc/55/73/42/389557342.db2.gz ANZDEPXVZAFGHD-QEJZJMRPSA-N 3 2 267.417 0.733 20 0 CCADLP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000423266623 389558646 /nfs/dbraw/zinc/55/86/46/389558646.db2.gz DPIRVFMZZUVWNX-ZWNOBZJWSA-N 2 2 285.413 0.968 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)[C@@H]3CSC[NH2+]3)cn2c1 ZINC000335433683 389560464 /nfs/dbraw/zinc/56/04/64/389560464.db2.gz OLKIXVQSIXNTOL-NSHDSACASA-N 2 2 276.365 0.921 20 0 CCADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1cnccn1 ZINC000278732158 389561629 /nfs/dbraw/zinc/56/16/29/389561629.db2.gz VTBGLGZRQAOKKP-UHFFFAOYSA-N 2 2 277.372 0.073 20 0 CCADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1cnccn1 ZINC000278732158 389561633 /nfs/dbraw/zinc/56/16/33/389561633.db2.gz VTBGLGZRQAOKKP-UHFFFAOYSA-N 2 2 277.372 0.073 20 0 CCADLP C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC000335491129 389571995 /nfs/dbraw/zinc/57/19/95/389571995.db2.gz JTFSEHGTJOVRDQ-CJNGLKHVSA-N 2 2 288.395 1.000 20 0 CCADLP C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC000335491129 389571998 /nfs/dbraw/zinc/57/19/98/389571998.db2.gz JTFSEHGTJOVRDQ-CJNGLKHVSA-N 2 2 288.395 1.000 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCN1CCCCC1=O ZINC000422863528 389495544 /nfs/dbraw/zinc/49/55/44/389495544.db2.gz RUARRRLLHKWCOD-UONOGXRCSA-N 2 2 283.416 0.746 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000373583716 389498802 /nfs/dbraw/zinc/49/88/02/389498802.db2.gz JYZMYQXEAPSSPI-GFCCVEGCSA-N 2 2 262.357 0.610 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@]1(N2CCOCC2)CCSC1 ZINC000422904438 389503493 /nfs/dbraw/zinc/50/34/93/389503493.db2.gz PYDIQGPMCAXGBY-RBSFLKMASA-N 2 2 299.484 0.782 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCNC(=O)c1ccccc1 ZINC000422914615 389504342 /nfs/dbraw/zinc/50/43/42/389504342.db2.gz VAMQHVFQQYRKNI-ZFWWWQNUSA-N 2 2 291.395 0.773 20 0 CCADLP COC[C@@]1(C[NH2+]Cc2cccc(C(N)=O)c2)CCC[NH2+]1 ZINC000414948946 389646778 /nfs/dbraw/zinc/64/67/78/389646778.db2.gz YOROCKYLGANBHE-HNNXBMFYSA-N 2 2 277.368 0.644 20 0 CCADLP C[N@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+]3CCOCC3)C[C@H]2C1 ZINC000374935031 389623020 /nfs/dbraw/zinc/62/30/20/389623020.db2.gz ZHTWVJKNTGTBNM-BETUJISGSA-N 2 2 281.400 0.117 20 0 CCADLP C[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+]3CCOCC3)C[C@H]2C1 ZINC000374935031 389623023 /nfs/dbraw/zinc/62/30/23/389623023.db2.gz ZHTWVJKNTGTBNM-BETUJISGSA-N 2 2 281.400 0.117 20 0 CCADLP CCCn1cc(C[NH2+]C[C@H]2C[NH2+]CCN2C)cn1 ZINC000414958830 389647970 /nfs/dbraw/zinc/64/79/70/389647970.db2.gz DOFWCRXMVZTFJR-CYBMUJFWSA-N 2 2 251.378 0.286 20 0 CCADLP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC000414783486 389637562 /nfs/dbraw/zinc/63/75/62/389637562.db2.gz JUOHEOYXIYXAOK-VHSXEESVSA-N 2 2 286.278 0.678 20 0 CCADLP CN(C(=O)CCc1[nH]cc[nH+]1)[C@H]1CCC[N@H+](C)C1 ZINC000279403885 389572625 /nfs/dbraw/zinc/57/26/25/389572625.db2.gz JUVPDVZTOBKCQF-NSHDSACASA-N 2 2 250.346 0.895 20 0 CCADLP CN(C(=O)CCc1[nH]cc[nH+]1)[C@H]1CCC[N@@H+](C)C1 ZINC000279403885 389572628 /nfs/dbraw/zinc/57/26/28/389572628.db2.gz JUVPDVZTOBKCQF-NSHDSACASA-N 2 2 250.346 0.895 20 0 CCADLP C[C@H]1CC[NH2+][C@@H](C(=O)N=c2ccn(CC[NH+](C)C)[nH]2)C1 ZINC000423365284 389574018 /nfs/dbraw/zinc/57/40/18/389574018.db2.gz BAEFZOOEJNJZFI-NWDGAFQWSA-N 2 2 279.388 0.193 20 0 CCADLP COC[C@]1(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CCC[NH2+]1 ZINC000423411676 389582381 /nfs/dbraw/zinc/58/23/81/389582381.db2.gz GDTDNPHIHKXUTN-BFHYXJOUSA-N 3 2 255.406 0.862 20 0 CCADLP CC(=O)NC[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351441685 389583126 /nfs/dbraw/zinc/58/31/26/389583126.db2.gz JNHFAALYGOZJSH-HIFRSBDPSA-N 2 2 283.416 0.290 20 0 CCADLP CC(=O)NC[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000351441685 389583128 /nfs/dbraw/zinc/58/31/28/389583128.db2.gz JNHFAALYGOZJSH-HIFRSBDPSA-N 2 2 283.416 0.290 20 0 CCADLP CC(=O)NC[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351441685 389583130 /nfs/dbraw/zinc/58/31/30/389583130.db2.gz JNHFAALYGOZJSH-HIFRSBDPSA-N 2 2 283.416 0.290 20 0 CCADLP CC(=O)NC[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351441685 389583133 /nfs/dbraw/zinc/58/31/33/389583133.db2.gz JNHFAALYGOZJSH-HIFRSBDPSA-N 2 2 283.416 0.290 20 0 CCADLP CC(C)[C@H](C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)[C@@H](C)[NH3+] ZINC000423427628 389584509 /nfs/dbraw/zinc/58/45/09/389584509.db2.gz JFWXCKKVQUXVEB-XGUBFFRZSA-N 2 2 297.443 0.785 20 0 CCADLP CC(C)[C@H](C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)[C@@H](C)[NH3+] ZINC000423427633 389585289 /nfs/dbraw/zinc/58/52/89/389585289.db2.gz JFWXCKKVQUXVEB-YJNKXOJESA-N 2 2 297.443 0.785 20 0 CCADLP COC(=O)CC1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351475869 389586693 /nfs/dbraw/zinc/58/66/93/389586693.db2.gz JSPRBTUNJLXYDC-CQSZACIVSA-N 2 2 284.400 0.717 20 0 CCADLP COC(=O)CC1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351475869 389586694 /nfs/dbraw/zinc/58/66/94/389586694.db2.gz JSPRBTUNJLXYDC-CQSZACIVSA-N 2 2 284.400 0.717 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413962208 389586855 /nfs/dbraw/zinc/58/68/55/389586855.db2.gz UWAFBBRVPKOPCW-STQMWFEESA-N 2 2 283.416 0.411 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413962208 389586858 /nfs/dbraw/zinc/58/68/58/389586858.db2.gz UWAFBBRVPKOPCW-STQMWFEESA-N 2 2 283.416 0.411 20 0 CCADLP CCC[NH2+]CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000423464793 389590878 /nfs/dbraw/zinc/59/08/78/389590878.db2.gz QVFXNHHTPCDWGX-AWEZNQCLSA-N 2 2 283.416 0.746 20 0 CCADLP CCC[NH2+]CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000423464793 389590879 /nfs/dbraw/zinc/59/08/79/389590879.db2.gz QVFXNHHTPCDWGX-AWEZNQCLSA-N 2 2 283.416 0.746 20 0 CCADLP C(C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)C[C@@H]1CCC[NH2+]1 ZINC000423474838 389591745 /nfs/dbraw/zinc/59/17/45/389591745.db2.gz HSDKYBBCDNNOBO-KKUMJFAQSA-N 3 2 267.417 0.875 20 0 CCADLP CN(C)C(=O)[C@H]1CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425367120 389645780 /nfs/dbraw/zinc/64/57/80/389645780.db2.gz HHNQMOSJWZCMAL-NSHDSACASA-N 2 2 279.388 0.396 20 0 CCADLP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000423524898 389600333 /nfs/dbraw/zinc/60/03/33/389600333.db2.gz OUQQFGPRADXDIC-OCCSQVGLSA-N 2 2 277.368 0.982 20 0 CCADLP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cn1 ZINC000414109806 389601302 /nfs/dbraw/zinc/60/13/02/389601302.db2.gz HNZZFTBFBFRIMJ-DZGCQCFKSA-N 2 2 292.427 0.857 20 0 CCADLP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cn1 ZINC000414109806 389601303 /nfs/dbraw/zinc/60/13/03/389601303.db2.gz HNZZFTBFBFRIMJ-DZGCQCFKSA-N 2 2 292.427 0.857 20 0 CCADLP C[C@@H](CNC(=O)[C@H](c1c[nH+]cn1C)N(C)C)[N@H+](C)C1CC1 ZINC000281046058 389607995 /nfs/dbraw/zinc/60/79/95/389607995.db2.gz WWQXXVGKWMLJTB-FZMZJTMJSA-N 2 2 293.415 0.622 20 0 CCADLP C[C@@H](CNC(=O)[C@H](c1c[nH+]cn1C)N(C)C)[N@@H+](C)C1CC1 ZINC000281046058 389607997 /nfs/dbraw/zinc/60/79/97/389607997.db2.gz WWQXXVGKWMLJTB-FZMZJTMJSA-N 2 2 293.415 0.622 20 0 CCADLP COc1ccc(OC)c(C[NH2+]C[C@H]2C[NH2+]CCN2C)c1 ZINC000414968167 389649407 /nfs/dbraw/zinc/64/94/07/389649407.db2.gz RLVLZZSTVVCZRS-CYBMUJFWSA-N 2 2 279.384 0.697 20 0 CCADLP C[NH+]1CCC([NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000414974142 389651171 /nfs/dbraw/zinc/65/11/71/389651171.db2.gz LAHPCZLOWLLBPC-GFCCVEGCSA-N 3 2 294.365 0.506 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@H]2C[NH2+]CCCO2)oc1C ZINC000415043020 389653211 /nfs/dbraw/zinc/65/32/11/389653211.db2.gz RDLRJJIVJSKZQR-GFCCVEGCSA-N 2 2 282.340 0.843 20 0 CCADLP CCOC(=O)C1CCC([NH2+]C[C@H]2C[NH2+]CCO2)CC1 ZINC000415096220 389658187 /nfs/dbraw/zinc/65/81/87/389658187.db2.gz PKIRIIINLWNVOY-WXRRBKDZSA-N 2 2 270.373 0.686 20 0 CCADLP CCN(C)c1ccc(C[NH2+]C[C@H]2C[NH2+]CCO2)cn1 ZINC000415099353 389659895 /nfs/dbraw/zinc/65/98/95/389659895.db2.gz XYZYJGFSHAAHCH-CYBMUJFWSA-N 2 2 264.373 0.616 20 0 CCADLP C[C@H]1CCCC[N@@H+]1CCC(=O)N1C[C@H]2OCC[NH+](C)[C@H]2C1 ZINC000426994571 389679544 /nfs/dbraw/zinc/67/95/44/389679544.db2.gz HYAUIMMNLPNKHC-SOUVJXGZSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@H]1CCCC[N@H+]1CCC(=O)N1C[C@H]2OCC[NH+](C)[C@H]2C1 ZINC000426994571 389679547 /nfs/dbraw/zinc/67/95/47/389679547.db2.gz HYAUIMMNLPNKHC-SOUVJXGZSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@H]1CCCC[NH+]1CCC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000426994571 389679549 /nfs/dbraw/zinc/67/95/49/389679549.db2.gz HYAUIMMNLPNKHC-SOUVJXGZSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@H]1CCCC[NH+]1CCC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000426994571 389679552 /nfs/dbraw/zinc/67/95/52/389679552.db2.gz HYAUIMMNLPNKHC-SOUVJXGZSA-N 2 2 295.427 0.792 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000181091501 389680179 /nfs/dbraw/zinc/68/01/79/389680179.db2.gz DLCVXXCLJLTCNE-UHFFFAOYSA-N 2 2 295.387 0.831 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181091501 389680181 /nfs/dbraw/zinc/68/01/81/389680181.db2.gz DLCVXXCLJLTCNE-UHFFFAOYSA-N 2 2 295.387 0.831 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)C1CC1 ZINC000181068334 389680203 /nfs/dbraw/zinc/68/02/03/389680203.db2.gz GUADJEYCDWLYHN-UHFFFAOYSA-N 2 2 289.445 0.436 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)C1CC1 ZINC000181068334 389680207 /nfs/dbraw/zinc/68/02/07/389680207.db2.gz GUADJEYCDWLYHN-UHFFFAOYSA-N 2 2 289.445 0.436 20 0 CCADLP CC(C)N1CC[C@H]([N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C1=O ZINC000428044206 389684985 /nfs/dbraw/zinc/68/49/85/389684985.db2.gz JOSRIIXQDCGUPA-XQQFMLRXSA-N 2 2 251.374 0.680 20 0 CCADLP CC(C)N1CC[C@H]([N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C1=O ZINC000428044206 389684988 /nfs/dbraw/zinc/68/49/88/389684988.db2.gz JOSRIIXQDCGUPA-XQQFMLRXSA-N 2 2 251.374 0.680 20 0 CCADLP O=C1CCC[C@@H]1[C@H]1COCC[N@@H+]1CCn1cc[nH+]c1 ZINC000375535963 389685583 /nfs/dbraw/zinc/68/55/83/389685583.db2.gz SBINMIKOFLIOIR-CHWSQXEVSA-N 2 2 263.341 0.953 20 0 CCADLP O=C1CCC[C@@H]1[C@H]1COCC[N@H+]1CCn1cc[nH+]c1 ZINC000375535963 389685586 /nfs/dbraw/zinc/68/55/86/389685586.db2.gz SBINMIKOFLIOIR-CHWSQXEVSA-N 2 2 263.341 0.953 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351854822 389699676 /nfs/dbraw/zinc/69/96/76/389699676.db2.gz RSRUFDYNMWVTRJ-HBNTYKKESA-N 2 2 263.345 0.473 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351854822 389699678 /nfs/dbraw/zinc/69/96/78/389699678.db2.gz RSRUFDYNMWVTRJ-HBNTYKKESA-N 2 2 263.345 0.473 20 0 CCADLP Cc1ccoc1C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000429363412 389752888 /nfs/dbraw/zinc/75/28/88/389752888.db2.gz PJCVCERVHVEAIB-UHFFFAOYSA-N 2 2 265.357 0.794 20 0 CCADLP Cc1ccoc1C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000429363412 389752890 /nfs/dbraw/zinc/75/28/90/389752890.db2.gz PJCVCERVHVEAIB-UHFFFAOYSA-N 2 2 265.357 0.794 20 0 CCADLP CC[N@H+](C[C@H](C)O)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000352194877 389769132 /nfs/dbraw/zinc/76/91/32/389769132.db2.gz MGNWVURUAPZUMK-STQMWFEESA-N 2 2 271.405 0.242 20 0 CCADLP CC[N@@H+](C[C@H](C)O)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000352194877 389769134 /nfs/dbraw/zinc/76/91/34/389769134.db2.gz MGNWVURUAPZUMK-STQMWFEESA-N 2 2 271.405 0.242 20 0 CCADLP CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000429790895 389771262 /nfs/dbraw/zinc/77/12/62/389771262.db2.gz SGGVSDGHWOKNOD-RYUDHWBXSA-N 2 2 250.346 0.778 20 0 CCADLP CNC(=O)[C@H]1CCC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000429790894 389771365 /nfs/dbraw/zinc/77/13/65/389771365.db2.gz SGGVSDGHWOKNOD-NWDGAFQWSA-N 2 2 250.346 0.778 20 0 CCADLP CCN1C[C@@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)CC1=O ZINC000391574202 389773356 /nfs/dbraw/zinc/77/33/56/389773356.db2.gz WZPYELRABZOAGZ-JTQLQIEISA-N 2 2 265.361 0.197 20 0 CCADLP [NH3+]CCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000416818156 389773750 /nfs/dbraw/zinc/77/37/50/389773750.db2.gz QPBGUYKDMVGUKE-AWEZNQCLSA-N 2 2 292.383 0.145 20 0 CCADLP [NH3+]CCNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000416818156 389773752 /nfs/dbraw/zinc/77/37/52/389773752.db2.gz QPBGUYKDMVGUKE-AWEZNQCLSA-N 2 2 292.383 0.145 20 0 CCADLP [NH3+][C@H](CNC(=O)NCc1cn2ccccc2[nH+]1)C1CC1 ZINC000416866009 389776801 /nfs/dbraw/zinc/77/68/01/389776801.db2.gz FXLPUPDORLUCLY-GFCCVEGCSA-N 2 2 273.340 0.871 20 0 CCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CC[NH2+]CC1 ZINC000416882251 389779270 /nfs/dbraw/zinc/77/92/70/389779270.db2.gz IKMSJDVYGHLLQR-UHFFFAOYSA-N 2 2 287.367 0.960 20 0 CCADLP C[C@@H](CCO)CC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000397797717 389779654 /nfs/dbraw/zinc/77/96/54/389779654.db2.gz VGTZJHMWUGNNQN-LLVKDONJSA-N 2 2 254.378 0.984 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCOC(F)F ZINC000398245036 389781439 /nfs/dbraw/zinc/78/14/39/389781439.db2.gz GSQGCBHVQXLPRE-UWVGGRQHSA-N 2 2 252.305 0.972 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000417003965 389788090 /nfs/dbraw/zinc/78/80/90/389788090.db2.gz CDEMFOQWMPPBNR-LBPRGKRZSA-N 2 2 291.399 0.946 20 0 CCADLP [NH3+][C@H](C(=O)N1CC[NH+](Cc2ccccn2)CC1)C1CCC1 ZINC000399197337 389788923 /nfs/dbraw/zinc/78/89/23/389788923.db2.gz SGXHFMPOWLBXER-HNNXBMFYSA-N 2 2 288.395 0.853 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000417009221 389788959 /nfs/dbraw/zinc/78/89/59/389788959.db2.gz JXBVYNUEIAHBCC-GFCCVEGCSA-N 2 2 277.372 0.780 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000417010087 389789270 /nfs/dbraw/zinc/78/92/70/389789270.db2.gz OOEUTJSYGNMDEL-LLVKDONJSA-N 2 2 279.388 0.802 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000417040714 389791490 /nfs/dbraw/zinc/79/14/90/389791490.db2.gz VSPZHARYLBFFOO-JHJVBQTASA-N 2 2 284.404 0.086 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC1(C)CC[NH2+]CC1 ZINC000417041566 389791503 /nfs/dbraw/zinc/79/15/03/389791503.db2.gz WJQIESBDNOLUBD-ZDUSSCGKSA-N 2 2 298.431 0.396 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1C[C@@]2(CCOC2)OC(C)(C)C1)C1CC1 ZINC000352341412 389792868 /nfs/dbraw/zinc/79/28/68/389792868.db2.gz GZGIVJOFRBEPIK-GOEBONIOSA-N 2 2 298.427 0.711 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1C[C@@]2(CCOC2)OC(C)(C)C1)C1CC1 ZINC000352341412 389792870 /nfs/dbraw/zinc/79/28/70/389792870.db2.gz GZGIVJOFRBEPIK-GOEBONIOSA-N 2 2 298.427 0.711 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1)C1CC1 ZINC000352341412 389792872 /nfs/dbraw/zinc/79/28/72/389792872.db2.gz GZGIVJOFRBEPIK-GOEBONIOSA-N 2 2 298.427 0.711 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1)C1CC1 ZINC000352341412 389792874 /nfs/dbraw/zinc/79/28/74/389792874.db2.gz GZGIVJOFRBEPIK-GOEBONIOSA-N 2 2 298.427 0.711 20 0 CCADLP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000416435161 389742714 /nfs/dbraw/zinc/74/27/14/389742714.db2.gz YKTDIYRVYZACDP-QWHCGFSZSA-N 2 2 284.404 0.135 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCCCn1cc[nH+]c1 ZINC000416441972 389744607 /nfs/dbraw/zinc/74/46/07/389744607.db2.gz WQHYLHXWOPZEPV-NWDGAFQWSA-N 2 2 265.361 0.570 20 0 CCADLP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)CC(C)(C)C[NH3+] ZINC000430551998 389806819 /nfs/dbraw/zinc/80/68/19/389806819.db2.gz AMLXMFQQOQINBR-UHFFFAOYSA-N 3 2 296.459 0.646 20 0 CCADLP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)CC(C)(C)C[NH3+] ZINC000430551998 389806822 /nfs/dbraw/zinc/80/68/22/389806822.db2.gz AMLXMFQQOQINBR-UHFFFAOYSA-N 3 2 296.459 0.646 20 0 CCADLP O=C(CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CCOCC1 ZINC000430562859 389807331 /nfs/dbraw/zinc/80/73/31/389807331.db2.gz GSBXXQIVXLLLEQ-OLZOCXBDSA-N 2 2 267.373 0.062 20 0 CCADLP O=C(CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CCOCC1 ZINC000430562859 389807336 /nfs/dbraw/zinc/80/73/36/389807336.db2.gz GSBXXQIVXLLLEQ-OLZOCXBDSA-N 2 2 267.373 0.062 20 0 CCADLP C[C@H]1CCCN(CCC[NH+]2CCOCC2)[C@H]1C[NH3+] ZINC000430555520 389807667 /nfs/dbraw/zinc/80/76/67/389807667.db2.gz ITNYFPVLGTUYPR-KBPBESRZSA-N 2 2 255.406 0.768 20 0 CCADLP Cc1cc(N2CC[C@H]([N@H+](C)CC(C)(C)C[NH3+])C2=O)n(C)n1 ZINC000430575328 389809223 /nfs/dbraw/zinc/80/92/23/389809223.db2.gz QKDQQYCKNBIEII-LBPRGKRZSA-N 2 2 293.415 0.751 20 0 CCADLP Cc1cc(N2CC[C@H]([N@@H+](C)CC(C)(C)C[NH3+])C2=O)n(C)n1 ZINC000430575328 389809226 /nfs/dbraw/zinc/80/92/26/389809226.db2.gz QKDQQYCKNBIEII-LBPRGKRZSA-N 2 2 293.415 0.751 20 0 CCADLP C[C@@](C[NH3+])([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)C1CC1 ZINC000430589160 389810516 /nfs/dbraw/zinc/81/05/16/389810516.db2.gz COFVXCPXBUXCLW-KOLCDFICSA-N 2 2 279.306 0.867 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C)CC1 ZINC000430600104 389811259 /nfs/dbraw/zinc/81/12/59/389811259.db2.gz XCPVWNPEXHFLPI-MRXNPFEDSA-N 3 2 298.475 0.938 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)n(C)n1 ZINC000430600882 389811379 /nfs/dbraw/zinc/81/13/79/389811379.db2.gz ZAHOJQZEIMAXRB-RYUDHWBXSA-N 2 2 279.388 0.726 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)n(C)n1 ZINC000430600882 389811381 /nfs/dbraw/zinc/81/13/81/389811381.db2.gz ZAHOJQZEIMAXRB-RYUDHWBXSA-N 2 2 279.388 0.726 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)NC2(C)CC[NH2+]CC2)CCO1 ZINC000417422629 389815119 /nfs/dbraw/zinc/81/51/19/389815119.db2.gz LIEVUFCUTHYEMB-UHFFFAOYSA-N 2 2 298.431 0.539 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)NC2(C)CC[NH2+]CC2)CCO1 ZINC000417422629 389815122 /nfs/dbraw/zinc/81/51/22/389815122.db2.gz LIEVUFCUTHYEMB-UHFFFAOYSA-N 2 2 298.431 0.539 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430652990 389816529 /nfs/dbraw/zinc/81/65/29/389816529.db2.gz NUFHTIHGENTOBY-ZDUSSCGKSA-N 2 2 271.405 0.590 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430652990 389816531 /nfs/dbraw/zinc/81/65/31/389816531.db2.gz NUFHTIHGENTOBY-ZDUSSCGKSA-N 2 2 271.405 0.590 20 0 CCADLP COCC[C@]1(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC[NH2+]C1 ZINC000430688591 389817683 /nfs/dbraw/zinc/81/76/83/389817683.db2.gz YNMNJWUAGCERNR-GXTWGEPZSA-N 2 2 280.372 0.404 20 0 CCADLP C[C@H]1[NH2+]CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)[C@H]1C ZINC000417512995 389824392 /nfs/dbraw/zinc/82/43/92/389824392.db2.gz WJEZQQDIHLKUOL-OLZOCXBDSA-N 2 2 298.431 0.489 20 0 CCADLP CC[NH2+]CCNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000417528573 389826884 /nfs/dbraw/zinc/82/68/84/389826884.db2.gz WXCVWGWIMKDUKS-NWDGAFQWSA-N 2 2 272.393 0.004 20 0 CCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCC(F)(F)C[NH3+] ZINC000417565082 389832217 /nfs/dbraw/zinc/83/22/17/389832217.db2.gz PERQWEPUAULETD-SECBINFHSA-N 2 2 289.330 0.721 20 0 CCADLP CC[C@H]([NH3+])C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000430891027 389832420 /nfs/dbraw/zinc/83/24/20/389832420.db2.gz WDNDRNLQPPXIMK-ZETCQYMHSA-N 2 2 264.251 0.799 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000430932575 389836596 /nfs/dbraw/zinc/83/65/96/389836596.db2.gz FKFMYGTZXGTHKA-VXGBXAGGSA-N 2 2 284.404 0.398 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000430932575 389836600 /nfs/dbraw/zinc/83/66/00/389836600.db2.gz FKFMYGTZXGTHKA-VXGBXAGGSA-N 2 2 284.404 0.398 20 0 CCADLP C[C@@]1(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CC[NH2+]C1 ZINC000431005471 389844107 /nfs/dbraw/zinc/84/41/07/389844107.db2.gz MUDPDZNDEDIYAA-CQSZACIVSA-N 2 2 277.372 0.054 20 0 CCADLP COc1ccccc1[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000431032836 389847028 /nfs/dbraw/zinc/84/70/28/389847028.db2.gz MELJGYQNWZBDCQ-SMDDNHRTSA-N 2 2 277.368 0.905 20 0 CCADLP COc1ccccc1[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000431032836 389847029 /nfs/dbraw/zinc/84/70/29/389847029.db2.gz MELJGYQNWZBDCQ-SMDDNHRTSA-N 2 2 277.368 0.905 20 0 CCADLP CC[NH2+]CCNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000417732669 389847355 /nfs/dbraw/zinc/84/73/55/389847355.db2.gz HSYFAAZGRRIRNJ-UHFFFAOYSA-N 2 2 267.377 0.948 20 0 CCADLP [NH3+][C@@H](C(=O)NC[C@@H]([NH3+])C1CC1)c1c(F)cccc1F ZINC000417799546 389850194 /nfs/dbraw/zinc/85/01/94/389850194.db2.gz BEEIFUDHQMDWPA-ZYHUDNBSSA-N 2 2 269.295 0.818 20 0 CCADLP [NH3+][C@@H](C(=O)N1CC[NH2+]CC1)c1c(F)cccc1F ZINC000417815776 389851672 /nfs/dbraw/zinc/85/16/72/389851672.db2.gz SAGMOZAZEUNLAZ-LLVKDONJSA-N 2 2 255.268 0.396 20 0 CCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H](C)[NH3+])CC2)CC1 ZINC000442654288 389852844 /nfs/dbraw/zinc/85/28/44/389852844.db2.gz AXSYYULTWVSAKW-AWEZNQCLSA-N 3 2 296.459 0.600 20 0 CCADLP C[C@@H]([NH3+])C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000442667500 389854589 /nfs/dbraw/zinc/85/45/89/389854589.db2.gz XROUSUOKEWRWIE-CYBMUJFWSA-N 3 2 255.406 0.910 20 0 CCADLP CCn1nncc1C[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000417852429 389856930 /nfs/dbraw/zinc/85/69/30/389856930.db2.gz HCISRXCSVHIMOU-CHWSQXEVSA-N 2 2 281.404 0.887 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000417855736 389857714 /nfs/dbraw/zinc/85/77/14/389857714.db2.gz RNSARJDXNUPKIP-HQJQHLMTSA-N 2 2 257.284 0.818 20 0 CCADLP CC(C)(C[NH3+])NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000417879181 389860204 /nfs/dbraw/zinc/86/02/04/389860204.db2.gz BATNKNBZZHIAKT-UHFFFAOYSA-N 2 2 261.329 0.871 20 0 CCADLP CO[C@H](C)c1noc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)n1 ZINC000442760956 389861798 /nfs/dbraw/zinc/86/17/98/389861798.db2.gz WEENFJRGHRZQIX-BBBLOLIVSA-N 2 2 254.334 0.946 20 0 CCADLP CO[C@H](C)c1noc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)n1 ZINC000442760956 389861799 /nfs/dbraw/zinc/86/17/99/389861799.db2.gz WEENFJRGHRZQIX-BBBLOLIVSA-N 2 2 254.334 0.946 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)n1 ZINC000442788724 389863205 /nfs/dbraw/zinc/86/32/05/389863205.db2.gz YJRZBHPBIROQRE-ZJUUUORDSA-N 2 2 250.346 0.914 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)n1 ZINC000442788724 389863207 /nfs/dbraw/zinc/86/32/07/389863207.db2.gz YJRZBHPBIROQRE-ZJUUUORDSA-N 2 2 250.346 0.914 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)O1 ZINC000527557877 285350245 /nfs/dbraw/zinc/35/02/45/285350245.db2.gz IPLBQYDHEAONNR-AAVRWANBSA-N 2 2 299.390 0.350 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)O1 ZINC000527557877 285350251 /nfs/dbraw/zinc/35/02/51/285350251.db2.gz IPLBQYDHEAONNR-AAVRWANBSA-N 2 2 299.390 0.350 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000444388009 389905598 /nfs/dbraw/zinc/90/55/98/389905598.db2.gz ZBKKQFIHRZEYHU-UKRRQHHQSA-N 2 2 295.427 0.386 20 0 CCADLP CC(C)n1nccc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000575072780 335062255 /nfs/dbraw/zinc/06/22/55/335062255.db2.gz JYXISQNDNJZVOJ-STQMWFEESA-N 2 2 277.372 0.208 20 0 CCADLP CC(C)n1nccc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000575072780 335062256 /nfs/dbraw/zinc/06/22/56/335062256.db2.gz JYXISQNDNJZVOJ-STQMWFEESA-N 2 2 277.372 0.208 20 0 CCADLP C[N@H+](CCO[C@@H]1CCCCO1)C1CC[NH+](CCO)CC1 ZINC000444626080 389910799 /nfs/dbraw/zinc/91/07/99/389910799.db2.gz LZIXACPNDBVZFY-OAHLLOKOSA-N 2 2 286.416 0.918 20 0 CCADLP C[N@@H+](CCO[C@@H]1CCCCO1)C1CC[NH+](CCO)CC1 ZINC000444626080 389910801 /nfs/dbraw/zinc/91/08/01/389910801.db2.gz LZIXACPNDBVZFY-OAHLLOKOSA-N 2 2 286.416 0.918 20 0 CCADLP CCCS(=O)(=O)NC1CC[NH+](CCC[NH2+]C)CC1 ZINC000435873735 389964663 /nfs/dbraw/zinc/96/46/63/389964663.db2.gz WZZPSWFJSBTYMW-UHFFFAOYSA-N 2 2 277.434 0.390 20 0 CCADLP C[NH2+]CCC[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000435886233 389965476 /nfs/dbraw/zinc/96/54/76/389965476.db2.gz UVLOWMPIQNUABW-UHFFFAOYSA-N 3 2 279.432 0.889 20 0 CCADLP C[NH2+]CCC[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000435886233 389965479 /nfs/dbraw/zinc/96/54/79/389965479.db2.gz UVLOWMPIQNUABW-UHFFFAOYSA-N 3 2 279.432 0.889 20 0 CCADLP C[C@@H](O)CNc1cc(N2CC[NH2+]C[C@](C)(F)C2)nc[nH+]1 ZINC000420263691 389975476 /nfs/dbraw/zinc/97/54/76/389975476.db2.gz OBGNFDYZCKDFGO-MFKMUULPSA-N 2 2 283.351 0.407 20 0 CCADLP Cc1[nH+]ccn1CCN1CC[NH+](C[C@@H](C)O)CC1 ZINC000444673609 389912800 /nfs/dbraw/zinc/91/28/00/389912800.db2.gz IDBAUJLPLSUQAR-GFCCVEGCSA-N 2 2 252.362 0.190 20 0 CCADLP CC[C@H](C(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1)[NH+](C)C ZINC000433464915 389915043 /nfs/dbraw/zinc/91/50/43/389915043.db2.gz YMQNPXYLXAFTLQ-CHWSQXEVSA-N 2 2 293.415 0.955 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000433916726 389921146 /nfs/dbraw/zinc/92/11/46/389921146.db2.gz ALRHSRGZLXFZKJ-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000447437401 389955030 /nfs/dbraw/zinc/95/50/30/389955030.db2.gz CZYVADHTOCUHKK-BBRMVZONSA-N 2 2 291.395 0.697 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000447437401 389955031 /nfs/dbraw/zinc/95/50/31/389955031.db2.gz CZYVADHTOCUHKK-BBRMVZONSA-N 2 2 291.395 0.697 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420927344 390038105 /nfs/dbraw/zinc/03/81/05/390038105.db2.gz BKOOFSKVKCNLFU-LBPRGKRZSA-N 2 2 253.346 0.434 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420927344 390038107 /nfs/dbraw/zinc/03/81/07/390038107.db2.gz BKOOFSKVKCNLFU-LBPRGKRZSA-N 2 2 253.346 0.434 20 0 CCADLP CCCCNc1cc(N[C@H](C)[C@H](C)[NH3+])nc(N)[nH+]1 ZINC000420271830 389976219 /nfs/dbraw/zinc/97/62/19/389976219.db2.gz VVXVSQSQBXHLDW-DTWKUNHWSA-N 2 2 252.366 0.671 20 0 CCADLP COC[C@H]1C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCO1 ZINC000420296375 389979498 /nfs/dbraw/zinc/97/94/98/389979498.db2.gz DKSMHCKZCBCWCS-PMPSAXMXSA-N 2 2 294.395 0.265 20 0 CCADLP COC[C@H]1C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCO1 ZINC000420296375 389979499 /nfs/dbraw/zinc/97/94/99/389979499.db2.gz DKSMHCKZCBCWCS-PMPSAXMXSA-N 2 2 294.395 0.265 20 0 CCADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCO[C@@H](CO)C2)cc1 ZINC000420308976 389981374 /nfs/dbraw/zinc/98/13/74/389981374.db2.gz SRAXYNNLNKIIRL-UKRRQHHQSA-N 2 2 280.368 0.431 20 0 CCADLP COc1ccc([C@H](C[NH3+])C[N@H+]2CCO[C@@H](CO)C2)cc1 ZINC000420308976 389981376 /nfs/dbraw/zinc/98/13/76/389981376.db2.gz SRAXYNNLNKIIRL-UKRRQHHQSA-N 2 2 280.368 0.431 20 0 CCADLP CCc1ccc(CNC(=O)C[N@H+](C)C[C@@H](O)C[NH3+])s1 ZINC000420348813 389987746 /nfs/dbraw/zinc/98/77/46/389987746.db2.gz BBJLSANDOOASFF-JTQLQIEISA-N 2 2 285.413 0.178 20 0 CCADLP CCc1ccc(CNC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])s1 ZINC000420348813 389987748 /nfs/dbraw/zinc/98/77/48/389987748.db2.gz BBJLSANDOOASFF-JTQLQIEISA-N 2 2 285.413 0.178 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420351665 389988989 /nfs/dbraw/zinc/98/89/89/389988989.db2.gz ADHUPJDCIGRNBD-ZFWWWQNUSA-N 2 2 283.416 0.603 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420351665 389988991 /nfs/dbraw/zinc/98/89/91/389988991.db2.gz ADHUPJDCIGRNBD-ZFWWWQNUSA-N 2 2 283.416 0.603 20 0 CCADLP CC(C)CNC(=O)c1cccc(C[N@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000420351497 389989024 /nfs/dbraw/zinc/98/90/24/389989024.db2.gz KHIASIHJSVEFKC-HNNXBMFYSA-N 2 2 293.411 0.824 20 0 CCADLP CC(C)CNC(=O)c1cccc(C[N@@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000420351497 389989027 /nfs/dbraw/zinc/98/90/27/389989027.db2.gz KHIASIHJSVEFKC-HNNXBMFYSA-N 2 2 293.411 0.824 20 0 CCADLP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420357148 389990782 /nfs/dbraw/zinc/99/07/82/389990782.db2.gz RVYMCUNIRZEFTH-JSGCOSHPSA-N 2 2 295.383 0.664 20 0 CCADLP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420357148 389990784 /nfs/dbraw/zinc/99/07/84/389990784.db2.gz RVYMCUNIRZEFTH-JSGCOSHPSA-N 2 2 295.383 0.664 20 0 CCADLP CCCCNC(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420369472 389993484 /nfs/dbraw/zinc/99/34/84/389993484.db2.gz LAHADIYTIKLAPK-CQSZACIVSA-N 2 2 253.390 0.978 20 0 CCADLP CCCCNC(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420369472 389993486 /nfs/dbraw/zinc/99/34/86/389993486.db2.gz LAHADIYTIKLAPK-CQSZACIVSA-N 2 2 253.390 0.978 20 0 CCADLP C[N@H+](CC[NH3+])CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000420371856 389993986 /nfs/dbraw/zinc/99/39/86/389993986.db2.gz DPGAUGJZZKBOJP-UHFFFAOYSA-N 2 2 265.313 0.634 20 0 CCADLP C[N@@H+](CC[NH3+])CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000420371856 389993988 /nfs/dbraw/zinc/99/39/88/389993988.db2.gz DPGAUGJZZKBOJP-UHFFFAOYSA-N 2 2 265.313 0.634 20 0 CCADLP C[NH2+]CCC[N@H+](C)CC(=O)NC(=O)NCc1ccccc1 ZINC000420388201 389995616 /nfs/dbraw/zinc/99/56/16/389995616.db2.gz LGXGIIOIRLRIJG-UHFFFAOYSA-N 2 2 292.383 0.554 20 0 CCADLP C[NH2+]CCC[N@@H+](C)CC(=O)NC(=O)NCc1ccccc1 ZINC000420388201 389995617 /nfs/dbraw/zinc/99/56/17/389995617.db2.gz LGXGIIOIRLRIJG-UHFFFAOYSA-N 2 2 292.383 0.554 20 0 CCADLP CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420387100 389995622 /nfs/dbraw/zinc/99/56/22/389995622.db2.gz JLWKDEONAAJYLC-ZIAGYGMSSA-N 2 2 285.432 0.929 20 0 CCADLP CC(C)C[C@@H](C)N(C)C(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420387100 389995625 /nfs/dbraw/zinc/99/56/25/389995625.db2.gz JLWKDEONAAJYLC-ZIAGYGMSSA-N 2 2 285.432 0.929 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccncc2)C[C@H]1C[NH3+] ZINC000420390670 389996132 /nfs/dbraw/zinc/99/61/32/389996132.db2.gz ACVOZCQIENIAHU-NWDGAFQWSA-N 2 2 262.357 0.359 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccncc2)C[C@H]1C[NH3+] ZINC000420390670 389996133 /nfs/dbraw/zinc/99/61/33/389996133.db2.gz ACVOZCQIENIAHU-NWDGAFQWSA-N 2 2 262.357 0.359 20 0 CCADLP COC[C@@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)C1CC1 ZINC000453265386 390009716 /nfs/dbraw/zinc/00/97/16/390009716.db2.gz NQNSBOHYRDEDSJ-UONOGXRCSA-N 2 2 256.390 0.848 20 0 CCADLP COC[C@@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)C1CC1 ZINC000453265386 390009717 /nfs/dbraw/zinc/00/97/17/390009717.db2.gz NQNSBOHYRDEDSJ-UONOGXRCSA-N 2 2 256.390 0.848 20 0 CCADLP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CC[NH+](CCO)CC1 ZINC000439890732 390027641 /nfs/dbraw/zinc/02/76/41/390027641.db2.gz BBVRARZSIQIHGF-OAHLLOKOSA-N 2 2 295.427 0.530 20 0 CCADLP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CC[NH+](CCO)CC1 ZINC000439890732 390027646 /nfs/dbraw/zinc/02/76/46/390027646.db2.gz BBVRARZSIQIHGF-OAHLLOKOSA-N 2 2 295.427 0.530 20 0 CCADLP COCC[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCC[C@@H]1C ZINC000487972463 390091080 /nfs/dbraw/zinc/09/10/80/390091080.db2.gz MNRFFJRUBXURDF-LSDHHAIUSA-N 2 2 297.443 0.897 20 0 CCADLP COCC[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCC[C@@H]1C ZINC000487972463 390091081 /nfs/dbraw/zinc/09/10/81/390091081.db2.gz MNRFFJRUBXURDF-LSDHHAIUSA-N 2 2 297.443 0.897 20 0 CCADLP Cc1nc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)nc(N(C)C)[nH+]1 ZINC000488375431 390093243 /nfs/dbraw/zinc/09/32/43/390093243.db2.gz QUSNUVCSBLPUST-NEPJUHHUSA-N 2 2 276.388 0.707 20 0 CCADLP Cc1nc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)nc(N(C)C)[nH+]1 ZINC000488375431 390093244 /nfs/dbraw/zinc/09/32/44/390093244.db2.gz QUSNUVCSBLPUST-NEPJUHHUSA-N 2 2 276.388 0.707 20 0 CCADLP Cc1nc(N(C)C)nc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[nH+]1 ZINC000488375431 390093245 /nfs/dbraw/zinc/09/32/45/390093245.db2.gz QUSNUVCSBLPUST-NEPJUHHUSA-N 2 2 276.388 0.707 20 0 CCADLP Cc1nc(N(C)C)nc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)[nH+]1 ZINC000488375431 390093246 /nfs/dbraw/zinc/09/32/46/390093246.db2.gz QUSNUVCSBLPUST-NEPJUHHUSA-N 2 2 276.388 0.707 20 0 CCADLP Cc1nc(N2CC[C@@H]([NH+]3CC=CC3)C2)nc(N(C)C)[nH+]1 ZINC000489920216 390102845 /nfs/dbraw/zinc/10/28/45/390102845.db2.gz TVHBGSLQYKRURJ-GFCCVEGCSA-N 2 2 274.372 0.697 20 0 CCADLP C[C@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[N@@H+]1CCO ZINC000490049691 390103764 /nfs/dbraw/zinc/10/37/64/390103764.db2.gz YJBBODDDNDEFHL-JTQLQIEISA-N 2 2 261.329 0.461 20 0 CCADLP C[C@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[N@H+]1CCO ZINC000490049691 390103765 /nfs/dbraw/zinc/10/37/65/390103765.db2.gz YJBBODDDNDEFHL-JTQLQIEISA-N 2 2 261.329 0.461 20 0 CCADLP O=C(/C=C/c1[nH]cc[nH+]1)N[C@H](CO)C[NH+]1CCCCC1 ZINC000493215597 390120876 /nfs/dbraw/zinc/12/08/76/390120876.db2.gz ALOZJHWMXHIOQN-ITKZLYELSA-N 2 2 278.356 0.386 20 0 CCADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC000579492622 390180755 /nfs/dbraw/zinc/18/07/55/390180755.db2.gz LAYSTKNOFBWZOZ-QWHCGFSZSA-N 2 2 281.400 0.260 20 0 CCADLP C[N@H+]1CCO[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC000579492622 390180758 /nfs/dbraw/zinc/18/07/58/390180758.db2.gz LAYSTKNOFBWZOZ-QWHCGFSZSA-N 2 2 281.400 0.260 20 0 CCADLP C[NH+]1CCO[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC000579492622 390180760 /nfs/dbraw/zinc/18/07/60/390180760.db2.gz LAYSTKNOFBWZOZ-QWHCGFSZSA-N 2 2 281.400 0.260 20 0 CCADLP C[NH+]1CCO[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC000579492622 390180761 /nfs/dbraw/zinc/18/07/61/390180761.db2.gz LAYSTKNOFBWZOZ-QWHCGFSZSA-N 2 2 281.400 0.260 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000579491504 390180778 /nfs/dbraw/zinc/18/07/78/390180778.db2.gz DIULUPJZCUXEBD-JTQLQIEISA-N 2 2 250.346 0.797 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000579491504 390180781 /nfs/dbraw/zinc/18/07/81/390180781.db2.gz DIULUPJZCUXEBD-JTQLQIEISA-N 2 2 250.346 0.797 20 0 CCADLP Cn1c(C[N@@H+]2CC[C@H](C[NH3+])C2)nc2ccccc2c1=O ZINC000647829726 390183597 /nfs/dbraw/zinc/18/35/97/390183597.db2.gz QXTVPMFYWKXKCF-LLVKDONJSA-N 2 2 272.352 0.714 20 0 CCADLP Cn1c(C[N@H+]2CC[C@H](C[NH3+])C2)nc2ccccc2c1=O ZINC000647829726 390183602 /nfs/dbraw/zinc/18/36/02/390183602.db2.gz QXTVPMFYWKXKCF-LLVKDONJSA-N 2 2 272.352 0.714 20 0 CCADLP C[N@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)[C@H]1CC[NH2+]C1 ZINC000647837994 390186949 /nfs/dbraw/zinc/18/69/49/390186949.db2.gz WMOLZZQXTAQGOX-ZDUSSCGKSA-N 2 2 290.367 0.408 20 0 CCADLP C[N@@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)[C@H]1CC[NH2+]C1 ZINC000647837994 390186950 /nfs/dbraw/zinc/18/69/50/390186950.db2.gz WMOLZZQXTAQGOX-ZDUSSCGKSA-N 2 2 290.367 0.408 20 0 CCADLP CC(C)OC[C@H](O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000538096278 390187770 /nfs/dbraw/zinc/18/77/70/390187770.db2.gz IJZXQZKOTNUVHN-CHWSQXEVSA-N 2 2 267.373 0.995 20 0 CCADLP CC(C)OC[C@H](O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000538096278 390187772 /nfs/dbraw/zinc/18/77/72/390187772.db2.gz IJZXQZKOTNUVHN-CHWSQXEVSA-N 2 2 267.373 0.995 20 0 CCADLP CC[C@@H](O)C[NH+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493863698 390130136 /nfs/dbraw/zinc/13/01/36/390130136.db2.gz ZVMRLUHYMKLGIA-DHCBQETCSA-N 2 2 278.356 0.338 20 0 CCADLP Cc1cc(C)n([C@H](C)CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000579010452 390135201 /nfs/dbraw/zinc/13/52/01/390135201.db2.gz PSERTDGJGDHHJT-ZIAGYGMSSA-N 2 2 293.415 0.552 20 0 CCADLP Cc1cc(C)n([C@H](C)CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])n1 ZINC000579010452 390135204 /nfs/dbraw/zinc/13/52/04/390135204.db2.gz PSERTDGJGDHHJT-ZIAGYGMSSA-N 2 2 293.415 0.552 20 0 CCADLP C[C@@H](C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1)[C@H](C)[NH3+] ZINC000493937722 390135671 /nfs/dbraw/zinc/13/56/71/390135671.db2.gz SMGCLYRMYITEOS-BDAKNGLRSA-N 2 2 283.376 0.466 20 0 CCADLP C[C@@H](C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1)CS(C)(=O)=O ZINC000535315501 390143038 /nfs/dbraw/zinc/14/30/38/390143038.db2.gz XUODBWDRAYFKTB-NWDGAFQWSA-N 2 2 285.413 0.890 20 0 CCADLP C[C@@H](C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1)CS(C)(=O)=O ZINC000535315501 390143040 /nfs/dbraw/zinc/14/30/40/390143040.db2.gz XUODBWDRAYFKTB-NWDGAFQWSA-N 2 2 285.413 0.890 20 0 CCADLP O=C(CC[C@@H]1CCC[NH2+]1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000494651110 390189651 /nfs/dbraw/zinc/18/96/51/390189651.db2.gz FTVWUXKTCMKAGP-GJZGRUSLSA-N 2 2 295.427 0.842 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)no1 ZINC000536068198 390156747 /nfs/dbraw/zinc/15/67/47/390156747.db2.gz WBLPTUPFSOOROZ-NSHDSACASA-N 2 2 289.339 0.566 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)no1 ZINC000536068198 390156749 /nfs/dbraw/zinc/15/67/49/390156749.db2.gz WBLPTUPFSOOROZ-NSHDSACASA-N 2 2 289.339 0.566 20 0 CCADLP CC[C@@H]1C[N@H+](C[C@@](C)(O)C[NH2+]C)CCN1CC(F)F ZINC000579248101 390157416 /nfs/dbraw/zinc/15/74/16/390157416.db2.gz MLCVFQXJKVDDSJ-YPMHNXCESA-N 2 2 279.375 0.618 20 0 CCADLP CC[C@@H]1C[N@@H+](C[C@@](C)(O)C[NH2+]C)CCN1CC(F)F ZINC000579248101 390157419 /nfs/dbraw/zinc/15/74/19/390157419.db2.gz MLCVFQXJKVDDSJ-YPMHNXCESA-N 2 2 279.375 0.618 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000494288338 390163156 /nfs/dbraw/zinc/16/31/56/390163156.db2.gz RFVPHJAEBOJOSI-TZMCWYRMSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000494288338 390163158 /nfs/dbraw/zinc/16/31/58/390163158.db2.gz RFVPHJAEBOJOSI-TZMCWYRMSA-N 2 2 281.400 0.450 20 0 CCADLP Cn1cnc(CCC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)n1 ZINC000647801563 390176872 /nfs/dbraw/zinc/17/68/72/390176872.db2.gz YHTGMOFQTPLVOJ-JSGCOSHPSA-N 2 2 279.388 0.104 20 0 CCADLP CCCC[N@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC000647871202 390200933 /nfs/dbraw/zinc/20/09/33/390200933.db2.gz YTCWXTCUBOSGQF-OLZOCXBDSA-N 2 2 274.430 0.885 20 0 CCADLP CCCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC000647871202 390200938 /nfs/dbraw/zinc/20/09/38/390200938.db2.gz YTCWXTCUBOSGQF-OLZOCXBDSA-N 2 2 274.430 0.885 20 0 CCADLP CC(C)(C)C(=O)N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647874796 390202414 /nfs/dbraw/zinc/20/24/14/390202414.db2.gz ZBEUTEJUYOFOCV-LBPRGKRZSA-N 2 2 253.390 0.786 20 0 CCADLP COCCC[N@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC000647873520 390202482 /nfs/dbraw/zinc/20/24/82/390202482.db2.gz VPOJKEYZNNZCNB-OLZOCXBDSA-N 2 2 290.429 0.122 20 0 CCADLP COCCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC000647873520 390202483 /nfs/dbraw/zinc/20/24/83/390202483.db2.gz VPOJKEYZNNZCNB-OLZOCXBDSA-N 2 2 290.429 0.122 20 0 CCADLP c1cn2c([nH+]1)CC[C@H](CNc1[nH+]cnc3c1OCCN3)C2 ZINC000647879090 390205601 /nfs/dbraw/zinc/20/56/01/390205601.db2.gz MTZUASQXHGJGJD-SNVBAGLBSA-N 2 2 286.339 0.574 20 0 CCADLP c1cn2c([nH+]1)CC[C@H](CNc1nc[nH+]c3c1OCCN3)C2 ZINC000647879090 390205603 /nfs/dbraw/zinc/20/56/03/390205603.db2.gz MTZUASQXHGJGJD-SNVBAGLBSA-N 2 2 286.339 0.574 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@H]1C ZINC000495063057 390215024 /nfs/dbraw/zinc/21/50/24/390215024.db2.gz XFBAYHTYNWIDIG-QPSCCSFWSA-N 2 2 295.427 0.554 20 0 CCADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(C(=O)N(C)C)cc1 ZINC000495055233 390215032 /nfs/dbraw/zinc/21/50/32/390215032.db2.gz ZTSQWISPBUQCSL-SWLSCSKDSA-N 2 2 293.411 0.962 20 0 CCADLP COc1ncc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)s1 ZINC000647925054 390219444 /nfs/dbraw/zinc/21/94/44/390219444.db2.gz HQTHXWNFMQVNKQ-JTQLQIEISA-N 2 2 271.386 0.698 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647926421 390219465 /nfs/dbraw/zinc/21/94/65/390219465.db2.gz CTGXVGXOQXOBET-VXGBXAGGSA-N 2 2 269.389 0.483 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)CCC[NH+](C)C ZINC000540516075 390221347 /nfs/dbraw/zinc/22/13/47/390221347.db2.gz MICYFLCWJLCFIH-GFCCVEGCSA-N 2 2 257.378 0.117 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N(C)CCC[NH+](C)C ZINC000540516075 390221350 /nfs/dbraw/zinc/22/13/50/390221350.db2.gz MICYFLCWJLCFIH-GFCCVEGCSA-N 2 2 257.378 0.117 20 0 CCADLP CCCC[N@@H+](CC(N)=O)C[C@H](O)C[NH+](C)C(C)C ZINC000647958837 390227406 /nfs/dbraw/zinc/22/74/06/390227406.db2.gz GSECUZIOBJMEIG-GFCCVEGCSA-N 2 2 259.394 0.275 20 0 CCADLP CCCC[N@H+](CC(N)=O)C[C@H](O)C[NH+](C)C(C)C ZINC000647958837 390227411 /nfs/dbraw/zinc/22/74/11/390227411.db2.gz GSECUZIOBJMEIG-GFCCVEGCSA-N 2 2 259.394 0.275 20 0 CCADLP CCCC[NH+](CC(N)=O)C[C@H](O)C[N@H+](C)C(C)C ZINC000647958837 390227416 /nfs/dbraw/zinc/22/74/16/390227416.db2.gz GSECUZIOBJMEIG-GFCCVEGCSA-N 2 2 259.394 0.275 20 0 CCADLP CCCC[NH+](CC(N)=O)C[C@H](O)C[N@@H+](C)C(C)C ZINC000647958837 390227421 /nfs/dbraw/zinc/22/74/21/390227421.db2.gz GSECUZIOBJMEIG-GFCCVEGCSA-N 2 2 259.394 0.275 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](O)[C@H]2CCCO2)n1C ZINC000527759224 285366142 /nfs/dbraw/zinc/36/61/42/285366142.db2.gz ZYGUGHIQABNCBN-VXGBXAGGSA-N 2 2 268.361 0.116 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)CCCn1cc[nH+]c1 ZINC000647969785 390234376 /nfs/dbraw/zinc/23/43/76/390234376.db2.gz RDTSEOMJHXFZCE-CQSZACIVSA-N 2 2 268.405 0.906 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)CCCn1cc[nH+]c1 ZINC000647969785 390234382 /nfs/dbraw/zinc/23/43/82/390234382.db2.gz RDTSEOMJHXFZCE-CQSZACIVSA-N 2 2 268.405 0.906 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)CCCn1ccnc1 ZINC000647969785 390234395 /nfs/dbraw/zinc/23/43/95/390234395.db2.gz RDTSEOMJHXFZCE-CQSZACIVSA-N 2 2 268.405 0.906 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)CCCn1ccnc1 ZINC000647969785 390234397 /nfs/dbraw/zinc/23/43/97/390234397.db2.gz RDTSEOMJHXFZCE-CQSZACIVSA-N 2 2 268.405 0.906 20 0 CCADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCC(=O)NC(N)=O ZINC000583560555 390292607 /nfs/dbraw/zinc/29/26/07/390292607.db2.gz SGMNRCZIOZWSCI-GFCCVEGCSA-N 2 2 292.383 0.682 20 0 CCADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCC(=O)NC(N)=O ZINC000583560555 390292608 /nfs/dbraw/zinc/29/26/08/390292608.db2.gz SGMNRCZIOZWSCI-GFCCVEGCSA-N 2 2 292.383 0.682 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000581259087 390250882 /nfs/dbraw/zinc/25/08/82/390250882.db2.gz XORFQNBNDODVGC-AAEUAGOBSA-N 2 2 253.346 0.028 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000581259087 390250885 /nfs/dbraw/zinc/25/08/85/390250885.db2.gz XORFQNBNDODVGC-AAEUAGOBSA-N 2 2 253.346 0.028 20 0 CCADLP c1cc2n(n1)C[C@H](C[N@@H+]1CC[NH+]3CCC1CC3)CN2 ZINC000648034881 390257426 /nfs/dbraw/zinc/25/74/26/390257426.db2.gz JQOJRYSHMKKPKG-LBPRGKRZSA-N 2 2 261.373 0.705 20 0 CCADLP c1cc2n(n1)C[C@H](C[N@H+]1CC[NH+]3CCC1CC3)CN2 ZINC000648034881 390257430 /nfs/dbraw/zinc/25/74/30/390257430.db2.gz JQOJRYSHMKKPKG-LBPRGKRZSA-N 2 2 261.373 0.705 20 0 CCADLP CNC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000496102600 390300846 /nfs/dbraw/zinc/30/08/46/390300846.db2.gz SKHVGAHHZOZSNU-UONOGXRCSA-N 2 2 299.415 0.652 20 0 CCADLP CNC(=O)OC[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000496102600 390300850 /nfs/dbraw/zinc/30/08/50/390300850.db2.gz SKHVGAHHZOZSNU-UONOGXRCSA-N 2 2 299.415 0.652 20 0 CCADLP CNC(=O)OC[C@@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000496102600 390300852 /nfs/dbraw/zinc/30/08/52/390300852.db2.gz SKHVGAHHZOZSNU-UONOGXRCSA-N 2 2 299.415 0.652 20 0 CCADLP CNC(=O)OC[C@@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000496102600 390300857 /nfs/dbraw/zinc/30/08/57/390300857.db2.gz SKHVGAHHZOZSNU-UONOGXRCSA-N 2 2 299.415 0.652 20 0 CCADLP Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC000583889030 390322055 /nfs/dbraw/zinc/32/20/55/390322055.db2.gz OSQZNMIVYLRCDR-VXGBXAGGSA-N 2 2 262.357 0.939 20 0 CCADLP Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC000583889030 390322057 /nfs/dbraw/zinc/32/20/57/390322057.db2.gz OSQZNMIVYLRCDR-VXGBXAGGSA-N 2 2 262.357 0.939 20 0 CCADLP C[C@H](C[C@H]1CCCO1)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000584399780 390339414 /nfs/dbraw/zinc/33/94/14/390339414.db2.gz SJHPBASESAEBQZ-FRRDWIJNSA-N 2 2 284.404 0.228 20 0 CCADLP C[C@H](C[C@H]1CCCO1)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000584399780 390339419 /nfs/dbraw/zinc/33/94/19/390339419.db2.gz SJHPBASESAEBQZ-FRRDWIJNSA-N 2 2 284.404 0.228 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2CC[C@H](n3cncn3)C2)n1C ZINC000644902566 390342454 /nfs/dbraw/zinc/34/24/54/390342454.db2.gz KEGPCXQWLIVBQZ-NSHDSACASA-N 2 2 275.360 0.525 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2CC[C@H](n3cncn3)C2)n1C ZINC000644902566 390342458 /nfs/dbraw/zinc/34/24/58/390342458.db2.gz KEGPCXQWLIVBQZ-NSHDSACASA-N 2 2 275.360 0.525 20 0 CCADLP CCOC(=O)N1CC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000497023273 390404087 /nfs/dbraw/zinc/40/40/87/390404087.db2.gz SEIWWXHTYISXBY-GRYCIOLGSA-N 2 2 255.362 0.805 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000648782871 390408611 /nfs/dbraw/zinc/40/86/11/390408611.db2.gz GLRCMWAPNTUDDA-MGPQQGTHSA-N 2 2 282.432 0.079 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000648782871 390408613 /nfs/dbraw/zinc/40/86/13/390408613.db2.gz GLRCMWAPNTUDDA-MGPQQGTHSA-N 2 2 282.432 0.079 20 0 CCADLP Cc1nc(N2CN(CC[NH+](C)C)C(=O)[C@H]2C)cc[nH+]1 ZINC000645361206 390415097 /nfs/dbraw/zinc/41/50/97/390415097.db2.gz RIGOFYWWRFJZQX-SNVBAGLBSA-N 2 2 263.345 0.341 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000645471058 390432375 /nfs/dbraw/zinc/43/23/75/390432375.db2.gz DNKGQXRGJAWHGT-RUZUBIRVSA-N 2 2 254.374 0.599 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000645471058 390432379 /nfs/dbraw/zinc/43/23/79/390432379.db2.gz DNKGQXRGJAWHGT-RUZUBIRVSA-N 2 2 254.374 0.599 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000645471056 390432432 /nfs/dbraw/zinc/43/24/32/390432432.db2.gz DNKGQXRGJAWHGT-AHLTXXRQSA-N 2 2 254.374 0.599 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000645471056 390432435 /nfs/dbraw/zinc/43/24/35/390432435.db2.gz DNKGQXRGJAWHGT-AHLTXXRQSA-N 2 2 254.374 0.599 20 0 CCADLP CC[N@@H+]1CC[C@H]2OCCN(CC[NH+]3CCOC[C@@H]3C)[C@H]2C1 ZINC000645177796 390383069 /nfs/dbraw/zinc/38/30/69/390383069.db2.gz AFZQMPNASNITDN-HRCADAONSA-N 2 2 297.443 0.502 20 0 CCADLP CC[N@H+]1CC[C@H]2OCCN(CC[NH+]3CCOC[C@@H]3C)[C@H]2C1 ZINC000645177796 390383073 /nfs/dbraw/zinc/38/30/73/390383073.db2.gz AFZQMPNASNITDN-HRCADAONSA-N 2 2 297.443 0.502 20 0 CCADLP CC[NH+]1CC[C@H]2OCCN(CC[N@@H+]3CCOC[C@@H]3C)[C@H]2C1 ZINC000645177796 390383076 /nfs/dbraw/zinc/38/30/76/390383076.db2.gz AFZQMPNASNITDN-HRCADAONSA-N 2 2 297.443 0.502 20 0 CCADLP CC[NH+]1CC[C@H]2OCCN(CC[N@H+]3CCOC[C@@H]3C)[C@H]2C1 ZINC000645177796 390383078 /nfs/dbraw/zinc/38/30/78/390383078.db2.gz AFZQMPNASNITDN-HRCADAONSA-N 2 2 297.443 0.502 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC000547728289 390394155 /nfs/dbraw/zinc/39/41/55/390394155.db2.gz HJBRZXMGFLKDBJ-AWEZNQCLSA-N 2 2 294.399 0.436 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC000547728289 390394159 /nfs/dbraw/zinc/39/41/59/390394159.db2.gz HJBRZXMGFLKDBJ-AWEZNQCLSA-N 2 2 294.399 0.436 20 0 CCADLP CCOC(=O)N1CC[C@H]([NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)C1 ZINC000496994198 390398669 /nfs/dbraw/zinc/39/86/69/390398669.db2.gz FUKXPONKKKRRED-RWMBFGLXSA-N 2 2 285.388 0.574 20 0 CCADLP O=C(C[NH2+]C[C@H]1CCCO1)NCCCCn1cc[nH+]c1 ZINC000519393522 390498458 /nfs/dbraw/zinc/49/84/58/390498458.db2.gz RXXAOZSBJYINIM-CYBMUJFWSA-N 2 2 280.372 0.548 20 0 CCADLP C[N@@H+]1CCN(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)CC1(C)C ZINC000565311843 390501254 /nfs/dbraw/zinc/50/12/54/390501254.db2.gz KHJGKZZTVVCECU-OKILXGFUSA-N 2 2 267.417 0.876 20 0 CCADLP C[N@H+]1CCN(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)CC1(C)C ZINC000565311843 390501259 /nfs/dbraw/zinc/50/12/59/390501259.db2.gz KHJGKZZTVVCECU-OKILXGFUSA-N 2 2 267.417 0.876 20 0 CCADLP C[NH+]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1(C)C ZINC000565311843 390501262 /nfs/dbraw/zinc/50/12/62/390501262.db2.gz KHJGKZZTVVCECU-OKILXGFUSA-N 2 2 267.417 0.876 20 0 CCADLP C[NH+]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1(C)C ZINC000565311843 390501267 /nfs/dbraw/zinc/50/12/67/390501267.db2.gz KHJGKZZTVVCECU-OKILXGFUSA-N 2 2 267.417 0.876 20 0 CCADLP CCO[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)CC ZINC000565369994 390508275 /nfs/dbraw/zinc/50/82/75/390508275.db2.gz BCEUIZZNJGJYQI-FRRDWIJNSA-N 2 2 260.378 0.083 20 0 CCADLP CCO[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)CC ZINC000565369994 390508277 /nfs/dbraw/zinc/50/82/77/390508277.db2.gz BCEUIZZNJGJYQI-FRRDWIJNSA-N 2 2 260.378 0.083 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)OC2CCOCC2)CC1 ZINC000497257864 390446135 /nfs/dbraw/zinc/44/61/35/390446135.db2.gz RAZMIZXGBZVPRP-UHFFFAOYSA-N 2 2 299.415 0.918 20 0 CCADLP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2ccon2)C[C@@H]1C[NH3+] ZINC000643440996 390447117 /nfs/dbraw/zinc/44/71/17/390447117.db2.gz YETWGLUHVVDPJD-MXWKQRLJSA-N 2 2 266.345 0.340 20 0 CCADLP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2ccon2)C[C@@H]1C[NH3+] ZINC000643440996 390447120 /nfs/dbraw/zinc/44/71/20/390447120.db2.gz YETWGLUHVVDPJD-MXWKQRLJSA-N 2 2 266.345 0.340 20 0 CCADLP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2ccon2)C[C@H]1C[NH3+] ZINC000643440995 390447170 /nfs/dbraw/zinc/44/71/70/390447170.db2.gz YETWGLUHVVDPJD-GMTAPVOTSA-N 2 2 266.345 0.340 20 0 CCADLP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2ccon2)C[C@H]1C[NH3+] ZINC000643440995 390447173 /nfs/dbraw/zinc/44/71/73/390447173.db2.gz YETWGLUHVVDPJD-GMTAPVOTSA-N 2 2 266.345 0.340 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000513532056 390466790 /nfs/dbraw/zinc/46/67/90/390466790.db2.gz KNABWUQMASVHBJ-UPJWGTAASA-N 2 2 289.445 0.340 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]C[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000513532056 390466795 /nfs/dbraw/zinc/46/67/95/390466795.db2.gz KNABWUQMASVHBJ-UPJWGTAASA-N 2 2 289.445 0.340 20 0 CCADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@@H+]([C@H]2COC[C@H]2O)C1 ZINC000556259031 390478150 /nfs/dbraw/zinc/47/81/50/390478150.db2.gz NMNUHWLGLSLRLL-RWMBFGLXSA-N 2 2 293.367 0.360 20 0 CCADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@H+]([C@H]2COC[C@H]2O)C1 ZINC000556259031 390478153 /nfs/dbraw/zinc/47/81/53/390478153.db2.gz NMNUHWLGLSLRLL-RWMBFGLXSA-N 2 2 293.367 0.360 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000649321563 390579996 /nfs/dbraw/zinc/57/99/96/390579996.db2.gz BFDGZPQIXFFVIT-MRVPVSSYSA-N 2 2 258.272 0.281 20 0 CCADLP CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000649211873 390524136 /nfs/dbraw/zinc/52/41/36/390524136.db2.gz FBVNMQWHGPDSOV-GXTWGEPZSA-N 2 2 292.383 0.282 20 0 CCADLP CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000649211873 390524141 /nfs/dbraw/zinc/52/41/41/390524141.db2.gz FBVNMQWHGPDSOV-GXTWGEPZSA-N 2 2 292.383 0.282 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000565589077 390526172 /nfs/dbraw/zinc/52/61/72/390526172.db2.gz YMZQVYTUFPGZHG-MCIONIFRSA-N 3 2 297.447 0.144 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000565589077 390526176 /nfs/dbraw/zinc/52/61/76/390526176.db2.gz YMZQVYTUFPGZHG-MCIONIFRSA-N 3 2 297.447 0.144 20 0 CCADLP [NH3+][C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C1CC1 ZINC000519690276 390529088 /nfs/dbraw/zinc/52/90/88/390529088.db2.gz ADBFOSMDXALICK-KBPBESRZSA-N 2 2 296.415 0.230 20 0 CCADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000645944185 390542128 /nfs/dbraw/zinc/54/21/28/390542128.db2.gz WWNLNYPMRAXTCZ-ZDUSSCGKSA-N 2 2 291.399 0.062 20 0 CCADLP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCN(c2cccc[nH+]2)CC1 ZINC000649276878 390545232 /nfs/dbraw/zinc/54/52/32/390545232.db2.gz OBLJESNSHCZILN-IMRBUKKESA-N 2 2 272.352 0.196 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000565844631 390552865 /nfs/dbraw/zinc/55/28/65/390552865.db2.gz YFWGWHFTNDFUFS-UHFFFAOYSA-N 2 2 250.346 0.768 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000565844631 390552880 /nfs/dbraw/zinc/55/28/80/390552880.db2.gz YFWGWHFTNDFUFS-UHFFFAOYSA-N 2 2 250.346 0.768 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC000520231115 390561068 /nfs/dbraw/zinc/56/10/68/390561068.db2.gz CZTKZCFCXXPEDZ-GARJFASQSA-N 2 2 293.419 0.470 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC000520231115 390561071 /nfs/dbraw/zinc/56/10/71/390561071.db2.gz CZTKZCFCXXPEDZ-GARJFASQSA-N 2 2 293.419 0.470 20 0 CCADLP Cc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000565999352 390565652 /nfs/dbraw/zinc/56/56/52/390565652.db2.gz KKMOPLXODLJYSF-AWEZNQCLSA-N 2 2 276.384 0.779 20 0 CCADLP Cc1ccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000565999352 390565655 /nfs/dbraw/zinc/56/56/55/390565655.db2.gz KKMOPLXODLJYSF-AWEZNQCLSA-N 2 2 276.384 0.779 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000649312395 390570530 /nfs/dbraw/zinc/57/05/30/390570530.db2.gz MEMIPOATRWTGIO-AVOUXACISA-N 2 2 295.427 0.744 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000649312395 390570535 /nfs/dbraw/zinc/57/05/35/390570535.db2.gz MEMIPOATRWTGIO-AVOUXACISA-N 2 2 295.427 0.744 20 0 CCADLP [NH3+]CCCC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000646033308 390577690 /nfs/dbraw/zinc/57/76/90/390577690.db2.gz FEYIJBFPWCLEMC-UHFFFAOYSA-N 2 2 272.352 0.924 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N[C@H](CO)C[NH+]1CCCCC1 ZINC000646157675 390619637 /nfs/dbraw/zinc/61/96/37/390619637.db2.gz ZWCQBWQUJKQQSD-AWEZNQCLSA-N 2 2 294.399 0.626 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000522228174 390629957 /nfs/dbraw/zinc/62/99/57/390629957.db2.gz CQMFHCBACOBDRV-NEPJUHHUSA-N 2 2 277.372 0.808 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000522228174 390629958 /nfs/dbraw/zinc/62/99/58/390629958.db2.gz CQMFHCBACOBDRV-NEPJUHHUSA-N 2 2 277.372 0.808 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCCc2cccs2)[C@H](C[NH3+])C1 ZINC000566963692 390662058 /nfs/dbraw/zinc/66/20/58/390662058.db2.gz OEBMTEFDCHIUFR-GFCCVEGCSA-N 2 2 296.440 0.965 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCCc2cccs2)[C@H](C[NH3+])C1 ZINC000566963692 390662061 /nfs/dbraw/zinc/66/20/61/390662061.db2.gz OEBMTEFDCHIUFR-GFCCVEGCSA-N 2 2 296.440 0.965 20 0 CCADLP C[NH+]1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000523507066 390637297 /nfs/dbraw/zinc/63/72/97/390637297.db2.gz ZOGGMBZXBSSUOK-UHFFFAOYSA-N 2 2 286.339 0.486 20 0 CCADLP O=C([C@H]1CCC[N@@H+]1C1CC1)N1CCc2[nH]c[nH+]c2C1 ZINC000646256911 390651206 /nfs/dbraw/zinc/65/12/06/390651206.db2.gz FIFODDYGJURFPG-CYBMUJFWSA-N 2 2 260.341 0.921 20 0 CCADLP O=C([C@H]1CCC[N@H+]1C1CC1)N1CCc2[nH]c[nH+]c2C1 ZINC000646256911 390651207 /nfs/dbraw/zinc/65/12/07/390651207.db2.gz FIFODDYGJURFPG-CYBMUJFWSA-N 2 2 260.341 0.921 20 0 CCADLP O=C([C@H]1CCC[N@@H+]1C1CC1)N1CCc2[nH+]c[nH]c2C1 ZINC000646256911 390651208 /nfs/dbraw/zinc/65/12/08/390651208.db2.gz FIFODDYGJURFPG-CYBMUJFWSA-N 2 2 260.341 0.921 20 0 CCADLP O=C([C@H]1CCC[N@H+]1C1CC1)N1CCc2[nH+]c[nH]c2C1 ZINC000646256911 390651209 /nfs/dbraw/zinc/65/12/09/390651209.db2.gz FIFODDYGJURFPG-CYBMUJFWSA-N 2 2 260.341 0.921 20 0 CCADLP C[C@@H]1CC2(C[N@@H+]1CC(=O)N1CC[NH+](C)CC1)CCOCC2 ZINC000646100140 390596702 /nfs/dbraw/zinc/59/67/02/390596702.db2.gz HSIOSRWKFFIILL-CQSZACIVSA-N 2 2 295.427 0.651 20 0 CCADLP C[C@@H]1CC2(C[N@H+]1CC(=O)N1CC[NH+](C)CC1)CCOCC2 ZINC000646100140 390596704 /nfs/dbraw/zinc/59/67/04/390596704.db2.gz HSIOSRWKFFIILL-CQSZACIVSA-N 2 2 295.427 0.651 20 0 CCADLP C[C@H]1NC(=O)N(CC[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1=O ZINC000566415118 390599797 /nfs/dbraw/zinc/59/97/97/390599797.db2.gz XDOJSRJWNSAUOJ-MNOVXSKESA-N 2 2 291.355 0.150 20 0 CCADLP C[C@H]1NC(=O)N(CC[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1=O ZINC000566415118 390599802 /nfs/dbraw/zinc/59/98/02/390599802.db2.gz XDOJSRJWNSAUOJ-MNOVXSKESA-N 2 2 291.355 0.150 20 0 CCADLP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[NH+](Cc2ccccn2)CC1 ZINC000649349569 390601417 /nfs/dbraw/zinc/60/14/17/390601417.db2.gz NFMFYNNPITWMAE-FICVDOATSA-N 2 2 286.379 0.191 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000649366269 390606922 /nfs/dbraw/zinc/60/69/22/390606922.db2.gz IFDWGENAESSBMK-RKDXNWHRSA-N 2 2 267.295 0.867 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000649366269 390606926 /nfs/dbraw/zinc/60/69/26/390606926.db2.gz IFDWGENAESSBMK-RKDXNWHRSA-N 2 2 267.295 0.867 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1)C(F)(F)F ZINC000643961164 390609022 /nfs/dbraw/zinc/60/90/22/390609022.db2.gz RBBCKGJMPXLDMH-VLEAKVRGSA-N 2 2 282.306 0.487 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1)C(F)(F)F ZINC000643961164 390609024 /nfs/dbraw/zinc/60/90/24/390609024.db2.gz RBBCKGJMPXLDMH-VLEAKVRGSA-N 2 2 282.306 0.487 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)CC2(CCCC2)O1 ZINC000646133006 390613480 /nfs/dbraw/zinc/61/34/80/390613480.db2.gz KPFNSHHNUBPHND-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CC2(CCCC2)O1 ZINC000646133006 390613483 /nfs/dbraw/zinc/61/34/83/390613483.db2.gz KPFNSHHNUBPHND-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP Cc1nnc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)[nH]1 ZINC000567544214 390702943 /nfs/dbraw/zinc/70/29/43/390702943.db2.gz CSHSXAGVNHIMMR-CQSZACIVSA-N 2 2 292.431 0.713 20 0 CCADLP Cc1nnc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)[nH]1 ZINC000567544214 390702944 /nfs/dbraw/zinc/70/29/44/390702944.db2.gz CSHSXAGVNHIMMR-CQSZACIVSA-N 2 2 292.431 0.713 20 0 CCADLP Cc1ccnc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000567572962 390704127 /nfs/dbraw/zinc/70/41/27/390704127.db2.gz HBDWOBGHZYOGAX-ZDUSSCGKSA-N 2 2 277.372 0.174 20 0 CCADLP Cc1ccnc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000567572962 390704130 /nfs/dbraw/zinc/70/41/30/390704130.db2.gz HBDWOBGHZYOGAX-ZDUSSCGKSA-N 2 2 277.372 0.174 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000646730039 390713274 /nfs/dbraw/zinc/71/32/74/390713274.db2.gz AEAGSQQZMCMMOZ-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000646730039 390713276 /nfs/dbraw/zinc/71/32/76/390713276.db2.gz AEAGSQQZMCMMOZ-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H](CC(=O)N[C@@H](CO)C[NH+]1CCCCC1)n1cc[nH+]c1 ZINC000570167764 390717580 /nfs/dbraw/zinc/71/75/80/390717580.db2.gz KCYTWCGVEMDEML-UONOGXRCSA-N 2 2 294.399 0.797 20 0 CCADLP Cc1cccc(OCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000646835477 390726141 /nfs/dbraw/zinc/72/61/41/390726141.db2.gz MHTKPDYZSMYAAL-ZDUSSCGKSA-N 2 2 277.368 0.475 20 0 CCADLP Cc1cccc(OCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000646835477 390726142 /nfs/dbraw/zinc/72/61/42/390726142.db2.gz MHTKPDYZSMYAAL-ZDUSSCGKSA-N 2 2 277.368 0.475 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]CCOC[C@@H]1CCCO1)C1CC1 ZINC000571277564 390728431 /nfs/dbraw/zinc/72/84/31/390728431.db2.gz LHZDCPYZYKKJJU-KBPBESRZSA-N 2 2 272.389 0.227 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]CCOC[C@@H]1CCCO1)C1CC1 ZINC000571277564 390728433 /nfs/dbraw/zinc/72/84/33/390728433.db2.gz LHZDCPYZYKKJJU-KBPBESRZSA-N 2 2 272.389 0.227 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2CCCSC2)C[C@@H](C)O1 ZINC000567103489 390671747 /nfs/dbraw/zinc/67/17/47/390671747.db2.gz FPWWCMQXBOIUJP-AAVRWANBSA-N 2 2 288.457 0.942 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000567167386 390676807 /nfs/dbraw/zinc/67/68/07/390676807.db2.gz RGADEKRVOPFCCV-RYUDHWBXSA-N 2 2 262.419 0.726 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000567167386 390676809 /nfs/dbraw/zinc/67/68/09/390676809.db2.gz RGADEKRVOPFCCV-RYUDHWBXSA-N 2 2 262.419 0.726 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000567167387 390676957 /nfs/dbraw/zinc/67/69/57/390676957.db2.gz RGADEKRVOPFCCV-VXGBXAGGSA-N 2 2 262.419 0.726 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000567167387 390676959 /nfs/dbraw/zinc/67/69/59/390676959.db2.gz RGADEKRVOPFCCV-VXGBXAGGSA-N 2 2 262.419 0.726 20 0 CCADLP O=C(N[C@@H]1CCC[NH2+]CC1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000646987207 390753708 /nfs/dbraw/zinc/75/37/08/390753708.db2.gz KDLHBQDRSDNXEY-LLVKDONJSA-N 2 2 286.339 0.534 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000571892649 390758071 /nfs/dbraw/zinc/75/80/71/390758071.db2.gz JXTSKOFSIQBKOZ-FRRDWIJNSA-N 2 2 294.399 0.814 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCS(=O)(=O)NC(C)(C)C ZINC000571908657 390758930 /nfs/dbraw/zinc/75/89/30/390758930.db2.gz PCGGSBHOLIWUAR-MNOVXSKESA-N 2 2 277.434 0.292 20 0 CCADLP C[C@@H]([NH3+])CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000647021417 390759045 /nfs/dbraw/zinc/75/90/45/390759045.db2.gz OSPRXRRTIXOYIZ-PWSUYJOCSA-N 2 2 255.362 0.093 20 0 CCADLP C[C@@H]([NH3+])CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000647021417 390759047 /nfs/dbraw/zinc/75/90/47/390759047.db2.gz OSPRXRRTIXOYIZ-PWSUYJOCSA-N 2 2 255.362 0.093 20 0 CCADLP O=C(N[C@H]1CC12CC[NH2+]CC2)c1ccc(-n2cc[nH+]c2)nn1 ZINC000647056106 390766801 /nfs/dbraw/zinc/76/68/01/390766801.db2.gz SLCQIUYZOMPQCP-LBPRGKRZSA-N 2 2 298.350 0.534 20 0 CCADLP O=C(NCc1ccn2cc[nH+]c2c1)NC[C@H]1COCC[NH2+]1 ZINC000529317843 390806166 /nfs/dbraw/zinc/80/61/66/390806166.db2.gz PQNMNFPJZUCSCB-LBPRGKRZSA-N 2 2 289.339 0.122 20 0 CCADLP CC1([NH+]2CCOCC2)CC[NH+](CCn2cncn2)CC1 ZINC000528727416 390771473 /nfs/dbraw/zinc/77/14/73/390771473.db2.gz LRIJUBKUHXSLNI-UHFFFAOYSA-N 2 2 279.388 0.465 20 0 CCADLP CC1([NH+]2CCOCC2)CC[NH+]([C@H]2CCOC2)CC1 ZINC000528727064 390771606 /nfs/dbraw/zinc/77/16/06/390771606.db2.gz PEOIMOXIICLOBF-ZDUSSCGKSA-N 2 2 254.374 0.962 20 0 CCADLP CC1([NH+]2CCOCC2)CC[NH+]([C@@H]2CCOC2)CC1 ZINC000528727060 390771627 /nfs/dbraw/zinc/77/16/27/390771627.db2.gz PEOIMOXIICLOBF-CYBMUJFWSA-N 2 2 254.374 0.962 20 0 CCADLP CC1([NH+]2CCOCC2)CC[NH+](CCOCCO)CC1 ZINC000528729358 390772138 /nfs/dbraw/zinc/77/21/38/390772138.db2.gz RRYIUPJYGMPJEJ-UHFFFAOYSA-N 2 2 272.389 0.182 20 0 CCADLP CC1([NH+]2CCOCC2)CC[NH+](CCCCO)CC1 ZINC000528729350 390772507 /nfs/dbraw/zinc/77/25/07/390772507.db2.gz RQBFBMUOWFHTBJ-UHFFFAOYSA-N 2 2 256.390 0.946 20 0 CCADLP Cc1cccc2[nH+]c(CCNC(=O)C3(C)C[NH2+]C3)cn21 ZINC000647098496 390775461 /nfs/dbraw/zinc/77/54/61/390775461.db2.gz RLHRZUFRYHEZHM-UHFFFAOYSA-N 2 2 272.352 0.911 20 0 CCADLP C[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ncccc1F ZINC000528826004 390780337 /nfs/dbraw/zinc/78/03/37/390780337.db2.gz SNASMZBSOBEFQX-STQMWFEESA-N 2 2 296.390 0.480 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCCc3cccnc32)[C@H](C[NH3+])C1 ZINC000571678528 390748354 /nfs/dbraw/zinc/74/83/54/390748354.db2.gz RFDMBKWKKHZJHS-ZIAGYGMSSA-N 2 2 288.395 0.603 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2CCCc3cccnc32)[C@H](C[NH3+])C1 ZINC000571678528 390748355 /nfs/dbraw/zinc/74/83/55/390748355.db2.gz RFDMBKWKKHZJHS-ZIAGYGMSSA-N 2 2 288.395 0.603 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2COCC[NH2+]2)c2[nH+]ccn21 ZINC000529333509 390811147 /nfs/dbraw/zinc/81/11/47/390811147.db2.gz WYRWIIBBMDKWCI-GMTAPVOTSA-N 2 2 279.344 0.177 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCc1ncn(C)n1 ZINC000647327013 390813261 /nfs/dbraw/zinc/81/32/61/390813261.db2.gz RRPAYXFWADOEDO-AAEUAGOBSA-N 2 2 263.389 0.820 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCc1ncn(C)n1 ZINC000647327013 390813262 /nfs/dbraw/zinc/81/32/62/390813262.db2.gz RRPAYXFWADOEDO-AAEUAGOBSA-N 2 2 263.389 0.820 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CC2(C)COC2)C[C@H](C)O1 ZINC000574911888 390823279 /nfs/dbraw/zinc/82/32/79/390823279.db2.gz HWWQUYBOJBPADV-XQQFMLRXSA-N 2 2 272.389 0.083 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CC2(C)COC2)C[C@H](C)O1 ZINC000574911888 390823283 /nfs/dbraw/zinc/82/32/83/390823283.db2.gz HWWQUYBOJBPADV-XQQFMLRXSA-N 2 2 272.389 0.083 20 0 CCADLP C[C@H]([NH3+])[C@H]1CN(Cc2c[nH+]c3ccccn23)CCO1 ZINC000647508049 390826023 /nfs/dbraw/zinc/82/60/23/390826023.db2.gz FTDGJOIZUOZVCE-WCQYABFASA-N 2 2 260.341 0.882 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000529499031 390839054 /nfs/dbraw/zinc/83/90/54/390839054.db2.gz UUNLMOBYNQDQAD-OLZOCXBDSA-N 2 2 280.372 0.105 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000529499031 390839057 /nfs/dbraw/zinc/83/90/57/390839057.db2.gz UUNLMOBYNQDQAD-OLZOCXBDSA-N 2 2 280.372 0.105 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@H](O)Cc1ccccc1 ZINC000578375889 390880575 /nfs/dbraw/zinc/88/05/75/390880575.db2.gz JSDZIFKIRWTTCA-HZPDHXFCSA-N 2 2 280.412 0.834 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@H](O)Cc1ccccc1 ZINC000578375889 390880577 /nfs/dbraw/zinc/88/05/77/390880577.db2.gz JSDZIFKIRWTTCA-HZPDHXFCSA-N 2 2 280.412 0.834 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000578375889 390880579 /nfs/dbraw/zinc/88/05/79/390880579.db2.gz JSDZIFKIRWTTCA-HZPDHXFCSA-N 2 2 280.412 0.834 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000578375889 390880582 /nfs/dbraw/zinc/88/05/82/390880582.db2.gz JSDZIFKIRWTTCA-HZPDHXFCSA-N 2 2 280.412 0.834 20 0 CCADLP CC1CC([NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000578435948 390883645 /nfs/dbraw/zinc/88/36/45/390883645.db2.gz ZBNLIXKWDWWPAB-OONHEIRLSA-N 2 2 256.390 0.845 20 0 CCADLP CC1CC([NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000578435948 390883646 /nfs/dbraw/zinc/88/36/46/390883646.db2.gz ZBNLIXKWDWWPAB-OONHEIRLSA-N 2 2 256.390 0.845 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000533744663 390886152 /nfs/dbraw/zinc/88/61/52/390886152.db2.gz SANAEVCKFONRBK-LBPRGKRZSA-N 2 2 288.355 0.816 20 0 CCADLP C[N@H+](CC(=O)N1CC(n2cc[nH+]c2)C1)[C@H]1CCSC1 ZINC000534269240 390890166 /nfs/dbraw/zinc/89/01/66/390890166.db2.gz VGGZFZXKZFGFOI-NSHDSACASA-N 2 2 280.397 0.704 20 0 CCADLP C[N@@H+](CC(=O)N1CC(n2cc[nH+]c2)C1)[C@H]1CCSC1 ZINC000534269240 390890168 /nfs/dbraw/zinc/89/01/68/390890168.db2.gz VGGZFZXKZFGFOI-NSHDSACASA-N 2 2 280.397 0.704 20 0 CCADLP COc1c(O)cccc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358256734 533445465 /nfs/dbraw/zinc/44/54/65/533445465.db2.gz OJNOIBPRMRUYSU-AWEZNQCLSA-N 2 2 266.341 0.557 20 0 CCADLP COc1c(O)cccc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358256734 533445470 /nfs/dbraw/zinc/44/54/70/533445470.db2.gz OJNOIBPRMRUYSU-AWEZNQCLSA-N 2 2 266.341 0.557 20 0 CCADLP CNC(=O)C[C@@H](C)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000341960966 130175377 /nfs/dbraw/zinc/17/53/77/130175377.db2.gz AFBRKAFWTYTPNP-PWSUYJOCSA-N 2 2 259.419 0.538 20 0 CCADLP COCCc1noc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000342092673 130254444 /nfs/dbraw/zinc/25/44/44/130254444.db2.gz VSWYQCVCUAHUMX-QJPTWQEYSA-N 2 2 280.372 0.818 20 0 CCADLP COCCc1noc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000342092673 130254445 /nfs/dbraw/zinc/25/44/45/130254445.db2.gz VSWYQCVCUAHUMX-QJPTWQEYSA-N 2 2 280.372 0.818 20 0 CCADLP C[C@@H]1C[C@H](C)CN(C(=O)C[NH2+]CC2([NH3+])CCC2)C1 ZINC000342150145 130343621 /nfs/dbraw/zinc/34/36/21/130343621.db2.gz WYNJVWCHEIOWJH-TXEJJXNPSA-N 2 2 253.390 0.962 20 0 CCADLP C[NH+](C)CCN1C[C@H](C(=O)Nc2ccc(N)[nH+]c2)CC1=O ZINC000237162729 131008951 /nfs/dbraw/zinc/00/89/51/131008951.db2.gz IVHAGYCWSGDMOM-SNVBAGLBSA-N 2 2 291.355 0.012 20 0 CCADLP Cc1cccc([C@H](CNC(=O)CC[NH3+])[NH+]2CCOCC2)c1 ZINC000237726869 131054404 /nfs/dbraw/zinc/05/44/04/131054404.db2.gz QGJFSWUWYRCHFW-HNNXBMFYSA-N 2 2 291.395 0.833 20 0 CCADLP [NH3+]CCCCNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000238058491 131075535 /nfs/dbraw/zinc/07/55/35/131075535.db2.gz KNHNSRGWTBTMTA-UHFFFAOYSA-N 2 2 259.313 0.736 20 0 CCADLP O=C(NCCn1cc[nH+]c1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000250251111 131124764 /nfs/dbraw/zinc/12/47/64/131124764.db2.gz PGXUOUSRHWYFCB-UPJWGTAASA-N 2 2 262.357 0.920 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)NCCOc2ccccc2)CC[C@H]1[NH3+] ZINC000251671025 131130845 /nfs/dbraw/zinc/13/08/45/131130845.db2.gz HJHKNZHSZDUMMK-DZGCQCFKSA-N 2 2 291.395 0.851 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)NCCOc2ccccc2)CC[C@H]1[NH3+] ZINC000251671025 131130848 /nfs/dbraw/zinc/13/08/48/131130848.db2.gz HJHKNZHSZDUMMK-DZGCQCFKSA-N 2 2 291.395 0.851 20 0 CCADLP [NH3+][C@H]1CCCC[C@@H]1CC(=O)NCCn1cc[nH+]c1 ZINC000261568786 131152392 /nfs/dbraw/zinc/15/23/92/131152392.db2.gz JKPIAAQINHVNFO-NEPJUHHUSA-N 2 2 250.346 0.907 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261997940 131182368 /nfs/dbraw/zinc/18/23/68/131182368.db2.gz POZUQPGRMHXWLF-AWEZNQCLSA-N 2 2 285.351 0.841 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000264678346 131485982 /nfs/dbraw/zinc/48/59/82/131485982.db2.gz YXULOEOAOOGBLN-GFCCVEGCSA-N 2 2 262.357 0.874 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000264678346 131485985 /nfs/dbraw/zinc/48/59/85/131485985.db2.gz YXULOEOAOOGBLN-GFCCVEGCSA-N 2 2 262.357 0.874 20 0 CCADLP O=C(C[NH2+]C[C@H]1CCCO1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000269235419 132138503 /nfs/dbraw/zinc/13/85/03/132138503.db2.gz GMFQTDLZQHXSQG-CYBMUJFWSA-N 2 2 292.383 0.884 20 0 CCADLP C[C@]1(C(=O)NCc2ccn3cc[nH+]c3c2)CC[NH2+]C1 ZINC000269248553 132141763 /nfs/dbraw/zinc/14/17/63/132141763.db2.gz FQEICVBOWOBEHM-AWEZNQCLSA-N 2 2 258.325 0.950 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCC23CC3)CC1 ZINC000657857831 413068371 /nfs/dbraw/zinc/06/83/71/413068371.db2.gz WVCRHROYQAAZCK-LBPRGKRZSA-N 2 2 251.374 0.683 20 0 CCADLP COC(C)(C)[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000340476326 292076974 /nfs/dbraw/zinc/07/69/74/292076974.db2.gz UFTIXDXHYNTACM-NEPJUHHUSA-N 2 2 271.405 0.729 20 0 CCADLP COC(C)(C)[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000340476326 292076975 /nfs/dbraw/zinc/07/69/75/292076975.db2.gz UFTIXDXHYNTACM-NEPJUHHUSA-N 2 2 271.405 0.729 20 0 CCADLP O=C([C@@H]1CCCC[NH2+]1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000037799508 397386202 /nfs/dbraw/zinc/38/62/02/397386202.db2.gz GRRRYKSGKTVCSY-KBPBESRZSA-N 2 2 281.400 0.452 20 0 CCADLP C[C@H](NC(=O)N1CC[NH+](C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000356539572 144012487 /nfs/dbraw/zinc/01/24/87/144012487.db2.gz BOWNAERJPFGEMG-STQMWFEESA-N 2 2 284.404 0.053 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000356816900 144035741 /nfs/dbraw/zinc/03/57/41/144035741.db2.gz RRVVQWOTKVZQEY-OLZOCXBDSA-N 2 2 271.405 0.552 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000356816900 144035742 /nfs/dbraw/zinc/03/57/42/144035742.db2.gz RRVVQWOTKVZQEY-OLZOCXBDSA-N 2 2 271.405 0.552 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C)N1CC[NH+](C)CC1 ZINC000356887735 144041099 /nfs/dbraw/zinc/04/10/99/144041099.db2.gz UIXRHZCGHSCENP-MGPQQGTHSA-N 2 2 282.432 0.173 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C)N1CC[NH+](C)CC1 ZINC000356887735 144041100 /nfs/dbraw/zinc/04/11/00/144041100.db2.gz UIXRHZCGHSCENP-MGPQQGTHSA-N 2 2 282.432 0.173 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)[C@@H]1CCCOC1 ZINC000356893132 144041720 /nfs/dbraw/zinc/04/17/20/144041720.db2.gz IFPGJFFJMRAJRN-MJBXVCDLSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)[C@@H]1CCCOC1 ZINC000356893132 144041721 /nfs/dbraw/zinc/04/17/21/144041721.db2.gz IFPGJFFJMRAJRN-MJBXVCDLSA-N 2 2 283.416 0.731 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C)[C@H](C)[C@H]2C)C1 ZINC000356903462 144042862 /nfs/dbraw/zinc/04/28/62/144042862.db2.gz PNUNHCODANVLPS-UPJWGTAASA-N 2 2 269.389 0.258 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C)[C@H](C)[C@H]2C)C1 ZINC000356903462 144042863 /nfs/dbraw/zinc/04/28/63/144042863.db2.gz PNUNHCODANVLPS-UPJWGTAASA-N 2 2 269.389 0.258 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)C1 ZINC000356903462 144042865 /nfs/dbraw/zinc/04/28/65/144042865.db2.gz PNUNHCODANVLPS-UPJWGTAASA-N 2 2 269.389 0.258 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)C1 ZINC000356903462 144042867 /nfs/dbraw/zinc/04/28/67/144042867.db2.gz PNUNHCODANVLPS-UPJWGTAASA-N 2 2 269.389 0.258 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000357069949 144056370 /nfs/dbraw/zinc/05/63/70/144056370.db2.gz IAGAJPJTZFYXTQ-ZIAGYGMSSA-N 3 2 294.443 0.128 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000357069949 144056372 /nfs/dbraw/zinc/05/63/72/144056372.db2.gz IAGAJPJTZFYXTQ-ZIAGYGMSSA-N 3 2 294.443 0.128 20 0 CCADLP COc1coc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1=O ZINC000357068173 144056681 /nfs/dbraw/zinc/05/66/81/144056681.db2.gz GBZFXDQUDDOPQS-MNOVXSKESA-N 2 2 264.325 0.690 20 0 CCADLP COc1coc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1=O ZINC000357068173 144056683 /nfs/dbraw/zinc/05/66/83/144056683.db2.gz GBZFXDQUDDOPQS-MNOVXSKESA-N 2 2 264.325 0.690 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)NC(C1CC1)C1CC1 ZINC000357074574 144056798 /nfs/dbraw/zinc/05/67/98/144056798.db2.gz IGUFZOQBRHUSOM-ZIAGYGMSSA-N 2 2 277.412 0.833 20 0 CCADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)NC(C1CC1)C1CC1 ZINC000357074574 144056800 /nfs/dbraw/zinc/05/68/00/144056800.db2.gz IGUFZOQBRHUSOM-ZIAGYGMSSA-N 2 2 277.412 0.833 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C)[C@H](C(C)C)C2)C1 ZINC000357235713 144072034 /nfs/dbraw/zinc/07/20/34/144072034.db2.gz BKABRBITVXJSOV-KBPBESRZSA-N 2 2 283.416 0.506 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C)[C@H](C(C)C)C2)C1 ZINC000357235713 144072036 /nfs/dbraw/zinc/07/20/36/144072036.db2.gz BKABRBITVXJSOV-KBPBESRZSA-N 2 2 283.416 0.506 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)C1 ZINC000357235713 144072037 /nfs/dbraw/zinc/07/20/37/144072037.db2.gz BKABRBITVXJSOV-KBPBESRZSA-N 2 2 283.416 0.506 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)C1 ZINC000357235713 144072039 /nfs/dbraw/zinc/07/20/39/144072039.db2.gz BKABRBITVXJSOV-KBPBESRZSA-N 2 2 283.416 0.506 20 0 CCADLP COC[C@H]([NH3+])C(=O)Nc1c[nH+]ccc1-n1ccnc1 ZINC000357251573 144074600 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0.062 20 0 CCADLP C[C@@H]1C[N@H+](CCOC2CC[NH+](CC(N)=O)CC2)C[C@H](C)O1 ZINC000358870053 144184415 /nfs/dbraw/zinc/18/44/15/144184415.db2.gz GZIZGSQZEIUIRO-BETUJISGSA-N 2 2 299.415 0.062 20 0 CCADLP CCCCNC(=O)CC[N@@H+]1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000359035174 144191467 /nfs/dbraw/zinc/19/14/67/144191467.db2.gz AFWSZVZDQMDTOP-CHWSQXEVSA-N 2 2 271.405 0.731 20 0 CCADLP CCCCNC(=O)CC[N@H+]1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000359035174 144191468 /nfs/dbraw/zinc/19/14/68/144191468.db2.gz AFWSZVZDQMDTOP-CHWSQXEVSA-N 2 2 271.405 0.731 20 0 CCADLP CO[C@H]1CCN(C(=O)c2ccc3[nH+]ccn3c2)[C@H](C[NH3+])C1 ZINC000359224741 144203621 /nfs/dbraw/zinc/20/36/21/144203621.db2.gz LMIQJICBAFBJQF-STQMWFEESA-N 2 2 288.351 0.913 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(C3CC3)CC2)CC1 ZINC000368326378 144217702 /nfs/dbraw/zinc/21/77/02/144217702.db2.gz CSZJWBOGGBNZTD-UHFFFAOYSA-N 2 2 265.401 0.882 20 0 CCADLP CCn1cc[nH+]c1CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000369238847 144259299 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C[C@H]1CC(=O)NCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000372823618 144382246 /nfs/dbraw/zinc/38/22/46/144382246.db2.gz MAMRUHXDNUNLSW-LBPRGKRZSA-N 2 2 285.351 0.978 20 0 CCADLP C[C@H]1CC(=O)NCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000372823618 144382247 /nfs/dbraw/zinc/38/22/47/144382247.db2.gz MAMRUHXDNUNLSW-LBPRGKRZSA-N 2 2 285.351 0.978 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372989853 144388242 /nfs/dbraw/zinc/38/82/42/144388242.db2.gz MXVLYPANMTXQGW-LBPRGKRZSA-N 2 2 277.434 0.342 20 0 CCADLP CCS(=O)(=O)NCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372989853 144388243 /nfs/dbraw/zinc/38/82/43/144388243.db2.gz MXVLYPANMTXQGW-LBPRGKRZSA-N 2 2 277.434 0.342 20 0 CCADLP COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000373206581 144396982 /nfs/dbraw/zinc/39/69/82/144396982.db2.gz WIZVJWDKHVJOJL-NEPJUHHUSA-N 2 2 267.329 0.536 20 0 CCADLP COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1CCn1cc[nH+]c1 ZINC000373206581 144396983 /nfs/dbraw/zinc/39/69/83/144396983.db2.gz WIZVJWDKHVJOJL-NEPJUHHUSA-N 2 2 267.329 0.536 20 0 CCADLP Cc1nc(C)c(C[NH2+]CC(=O)N2CC[NH+](C)CC2)o1 ZINC000389167893 397510309 /nfs/dbraw/zinc/51/03/09/397510309.db2.gz FYHGGOYFJVTRHH-UHFFFAOYSA-N 2 2 266.345 0.155 20 0 CCADLP Cn1ncc(Cl)c1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000394602470 397517413 /nfs/dbraw/zinc/51/74/13/397517413.db2.gz LCHKJKKDICXBNW-UHFFFAOYSA-N 2 2 271.796 0.411 20 0 CCADLP Cn1ncc(Cl)c1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000394602470 397517417 /nfs/dbraw/zinc/51/74/17/397517417.db2.gz LCHKJKKDICXBNW-UHFFFAOYSA-N 2 2 271.796 0.411 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C1 ZINC000430957188 397531336 /nfs/dbraw/zinc/53/13/36/397531336.db2.gz RDMCWZKTYOJMME-RRFJBIMHSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C1 ZINC000430957188 397531341 /nfs/dbraw/zinc/53/13/41/397531341.db2.gz RDMCWZKTYOJMME-RRFJBIMHSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000436882077 397533461 /nfs/dbraw/zinc/53/34/61/397533461.db2.gz PTOPYOZJZHMUAM-SKDRFNHKSA-N 2 2 264.329 0.463 20 0 CCADLP O=C1NCCC[C@H]1[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000649624970 397649573 /nfs/dbraw/zinc/64/95/73/397649573.db2.gz XZWVQTBCRUSFEK-CYBMUJFWSA-N 2 2 281.400 0.092 20 0 CCADLP O=C1NCCC[C@@H]1[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000649624971 397650148 /nfs/dbraw/zinc/65/01/48/397650148.db2.gz XZWVQTBCRUSFEK-ZDUSSCGKSA-N 2 2 281.400 0.092 20 0 CCADLP C[C@@H](C(=O)Nc1nccs1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000649409614 397606204 /nfs/dbraw/zinc/60/62/04/397606204.db2.gz DIBDGPPBILSEON-NSHDSACASA-N 2 2 297.428 0.307 20 0 CCADLP C[C@@H](C(=O)Nc1nccs1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000649409614 397606207 /nfs/dbraw/zinc/60/62/07/397606207.db2.gz DIBDGPPBILSEON-NSHDSACASA-N 2 2 297.428 0.307 20 0 CCADLP Cn1c(C[N@H+](C)CCOCC[NH3+])nnc1C1CC1 ZINC000649414428 397608899 /nfs/dbraw/zinc/60/88/99/397608899.db2.gz ZLIBBDYNUKBPCB-UHFFFAOYSA-N 2 2 253.350 0.100 20 0 CCADLP Cn1c(C[N@@H+](C)CCOCC[NH3+])nnc1C1CC1 ZINC000649414428 397608901 /nfs/dbraw/zinc/60/89/01/397608901.db2.gz ZLIBBDYNUKBPCB-UHFFFAOYSA-N 2 2 253.350 0.100 20 0 CCADLP CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000649417917 397609372 /nfs/dbraw/zinc/60/93/72/397609372.db2.gz NXYJZWKWJCQSLU-ZIAGYGMSSA-N 2 2 291.399 0.062 20 0 CCADLP CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000649417917 397609373 /nfs/dbraw/zinc/60/93/73/397609373.db2.gz NXYJZWKWJCQSLU-ZIAGYGMSSA-N 2 2 291.399 0.062 20 0 CCADLP CC1([NH3+])CC[NH+](CC(=O)NCc2cccnc2)CC1 ZINC000649416226 397609644 /nfs/dbraw/zinc/60/96/44/397609644.db2.gz ZDNOEEDIWNZLGU-UHFFFAOYSA-N 2 2 262.357 0.511 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(C)([NH3+])CC2)CC1 ZINC000649416194 397609856 /nfs/dbraw/zinc/60/98/56/397609856.db2.gz WJGGBZHGYAVQCI-UHFFFAOYSA-N 3 2 282.432 0.400 20 0 CCADLP CCO[C@@H]1C[N@H+](Cc2cc(C)n(C)n2)C[C@H]1C[NH3+] ZINC000650713919 397748163 /nfs/dbraw/zinc/74/81/63/397748163.db2.gz JBMWPCZUKPEKMN-DGCLKSJQSA-N 2 2 252.362 0.524 20 0 CCADLP CCO[C@@H]1C[N@@H+](Cc2cc(C)n(C)n2)C[C@H]1C[NH3+] ZINC000650713919 397748167 /nfs/dbraw/zinc/74/81/67/397748167.db2.gz JBMWPCZUKPEKMN-DGCLKSJQSA-N 2 2 252.362 0.524 20 0 CCADLP CCOC(=O)[C@@](C)(O)C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000355088557 285893760 /nfs/dbraw/zinc/89/37/60/285893760.db2.gz OOWIIFKLXJENIF-AWEZNQCLSA-N 2 2 272.389 0.763 20 0 CCADLP C[C@@H]1C[C@H](C)[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000548425158 286035166 /nfs/dbraw/zinc/03/51/66/286035166.db2.gz SIQOTZNITABYTE-BETUJISGSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[C@H](C)[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000548425158 286035168 /nfs/dbraw/zinc/03/51/68/286035168.db2.gz SIQOTZNITABYTE-BETUJISGSA-N 2 2 283.416 0.696 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000367849409 286094652 /nfs/dbraw/zinc/09/46/52/286094652.db2.gz MHWIATDFKXDLPT-CQSZACIVSA-N 2 2 269.389 0.167 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000367849409 286094656 /nfs/dbraw/zinc/09/46/56/286094656.db2.gz MHWIATDFKXDLPT-CQSZACIVSA-N 2 2 269.389 0.167 20 0 CCADLP CCOCCNC(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000367849409 286094658 /nfs/dbraw/zinc/09/46/58/286094658.db2.gz MHWIATDFKXDLPT-CQSZACIVSA-N 2 2 269.389 0.167 20 0 CCADLP CCOCCNC(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000367849409 286094660 /nfs/dbraw/zinc/09/46/60/286094660.db2.gz MHWIATDFKXDLPT-CQSZACIVSA-N 2 2 269.389 0.167 20 0 CCADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247056516 289393204 /nfs/dbraw/zinc/39/32/04/289393204.db2.gz ZMTCGGKBAJBDGC-MDZLAQPJSA-N 2 2 251.374 0.809 20 0 CCADLP C[C@H](C(N)=O)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247056516 289393207 /nfs/dbraw/zinc/39/32/07/289393207.db2.gz ZMTCGGKBAJBDGC-MDZLAQPJSA-N 2 2 251.374 0.809 20 0 CCADLP C[C@H](C(N)=O)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247056516 289393212 /nfs/dbraw/zinc/39/32/12/289393212.db2.gz ZMTCGGKBAJBDGC-MDZLAQPJSA-N 2 2 251.374 0.809 20 0 CCADLP C[C@H](C(N)=O)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247056516 289393217 /nfs/dbraw/zinc/39/32/17/289393217.db2.gz ZMTCGGKBAJBDGC-MDZLAQPJSA-N 2 2 251.374 0.809 20 0 CCADLP C[C@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261590827 298014668 /nfs/dbraw/zinc/01/46/68/298014668.db2.gz LONXXUJGAXRLJX-RDBSUJKOSA-N 2 2 265.401 0.929 20 0 CCADLP C[C@H](C(=O)N1CCCCC1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261590827 298014671 /nfs/dbraw/zinc/01/46/71/298014671.db2.gz LONXXUJGAXRLJX-RDBSUJKOSA-N 2 2 265.401 0.929 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337273852 292359225 /nfs/dbraw/zinc/35/92/25/292359225.db2.gz PGTORYULGRXDNB-CQSZACIVSA-N 2 2 285.432 0.945 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337273852 292359227 /nfs/dbraw/zinc/35/92/27/292359227.db2.gz PGTORYULGRXDNB-CQSZACIVSA-N 2 2 285.432 0.945 20 0 CCADLP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659358036 413443785 /nfs/dbraw/zinc/44/37/85/413443785.db2.gz OGPDFFRJKUGOTR-UONOGXRCSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000049154315 411671267 /nfs/dbraw/zinc/67/12/67/411671267.db2.gz YQBDQHCDJNJZTQ-RYUDHWBXSA-N 2 2 265.361 0.665 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000049154315 411671271 /nfs/dbraw/zinc/67/12/71/411671271.db2.gz YQBDQHCDJNJZTQ-RYUDHWBXSA-N 2 2 265.361 0.665 20 0 CCADLP CC[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)CCOC)[C@H](CC)CO1 ZINC000403999039 411791621 /nfs/dbraw/zinc/79/16/21/411791621.db2.gz ZQMBJSKHQRUWOI-QLFBSQMISA-N 2 2 288.432 0.815 20 0 CCADLP CC[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)CCOC)[C@H](CC)CO1 ZINC000403999039 411791627 /nfs/dbraw/zinc/79/16/27/411791627.db2.gz ZQMBJSKHQRUWOI-QLFBSQMISA-N 2 2 288.432 0.815 20 0 CCADLP CC[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)CCOC)[C@H](CC)CO1 ZINC000403999039 411791628 /nfs/dbraw/zinc/79/16/28/411791628.db2.gz ZQMBJSKHQRUWOI-QLFBSQMISA-N 2 2 288.432 0.815 20 0 CCADLP CC[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)CCOC)[C@H](CC)CO1 ZINC000403999039 411791633 /nfs/dbraw/zinc/79/16/33/411791633.db2.gz ZQMBJSKHQRUWOI-QLFBSQMISA-N 2 2 288.432 0.815 20 0 CCADLP CCC[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405227093 411800461 /nfs/dbraw/zinc/80/04/61/411800461.db2.gz TXHJIWQMSLBLHH-AAVRWANBSA-N 2 2 285.432 0.975 20 0 CCADLP CCC[C@@H](C)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405227093 411800464 /nfs/dbraw/zinc/80/04/64/411800464.db2.gz TXHJIWQMSLBLHH-AAVRWANBSA-N 2 2 285.432 0.975 20 0 CCADLP CCO[C@@H]1C[N@H+](CC(=O)N(CC)CC)C[C@H]1C[NH3+] ZINC000405848300 411804635 /nfs/dbraw/zinc/80/46/35/411804635.db2.gz IMXMVIFYXZXWRQ-VXGBXAGGSA-N 2 2 257.378 0.150 20 0 CCADLP CCO[C@@H]1C[N@@H+](CC(=O)N(CC)CC)C[C@H]1C[NH3+] ZINC000405848300 411804638 /nfs/dbraw/zinc/80/46/38/411804638.db2.gz IMXMVIFYXZXWRQ-VXGBXAGGSA-N 2 2 257.378 0.150 20 0 CCADLP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)CS(C)(=O)=O ZINC000651865761 411948171 /nfs/dbraw/zinc/94/81/71/411948171.db2.gz GXMCVNKKZJMMKA-LBPRGKRZSA-N 2 2 264.435 0.987 20 0 CCADLP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)CS(C)(=O)=O ZINC000651865761 411948174 /nfs/dbraw/zinc/94/81/74/411948174.db2.gz GXMCVNKKZJMMKA-LBPRGKRZSA-N 2 2 264.435 0.987 20 0 CCADLP Cn1ccc(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000651891219 411953534 /nfs/dbraw/zinc/95/35/34/411953534.db2.gz MLDWTIJAPHAXEO-UHFFFAOYSA-N 2 2 264.373 0.231 20 0 CCADLP Cn1ccc(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000651891219 411953537 /nfs/dbraw/zinc/95/35/37/411953537.db2.gz MLDWTIJAPHAXEO-UHFFFAOYSA-N 2 2 264.373 0.231 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000651921067 411961801 /nfs/dbraw/zinc/96/18/01/411961801.db2.gz ROWFOZMYCZDMHU-MDZLAQPJSA-N 2 2 287.429 0.093 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000651921067 411961806 /nfs/dbraw/zinc/96/18/06/411961806.db2.gz ROWFOZMYCZDMHU-MDZLAQPJSA-N 2 2 287.429 0.093 20 0 CCADLP C[NH2+][C@@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000653047634 412199626 /nfs/dbraw/zinc/19/96/26/412199626.db2.gz DRZBCEHJFXLVNQ-GFCCVEGCSA-N 2 2 276.384 0.972 20 0 CCADLP CN(CCOc1ccccc1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653058239 412206260 /nfs/dbraw/zinc/20/62/60/412206260.db2.gz KNXNYDKUWQZBEH-CQSZACIVSA-N 2 2 279.384 0.803 20 0 CCADLP COCc1ccccc1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653068468 412207885 /nfs/dbraw/zinc/20/78/85/412207885.db2.gz DZQOGABDUKBWRJ-AWEZNQCLSA-N 2 2 279.384 0.728 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)CCO2 ZINC000653071367 412208274 /nfs/dbraw/zinc/20/82/74/412208274.db2.gz DJSVMBMOKMPOPM-LBPRGKRZSA-N 2 2 263.341 0.839 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC(=O)Nc1cccc(F)c1 ZINC000653081380 412211114 /nfs/dbraw/zinc/21/11/14/412211114.db2.gz NASZVLCWHGZWFL-LBPRGKRZSA-N 2 2 296.346 0.159 20 0 CCADLP COc1ccc2c(c1)CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC2 ZINC000653079538 412211527 /nfs/dbraw/zinc/21/15/27/412211527.db2.gz CNHOHEKUQCIZQI-OAHLLOKOSA-N 2 2 291.395 0.859 20 0 CCADLP CC(C)O[C@H]1CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653198621 412257405 /nfs/dbraw/zinc/25/74/05/412257405.db2.gz FOLNUAWFMFNOOU-QWHCGFSZSA-N 2 2 271.405 0.681 20 0 CCADLP CC[C@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CCS1 ZINC000653092950 412216209 /nfs/dbraw/zinc/21/62/09/412216209.db2.gz QQJZISOEKDAEOX-QWRGUYRKSA-N 2 2 259.419 0.619 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000653098311 412216863 /nfs/dbraw/zinc/21/68/63/412216863.db2.gz JGQCKDGAQZRIPM-OLZOCXBDSA-N 2 2 297.424 0.927 20 0 CCADLP Cc1ccc2c(c1)[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)CO2 ZINC000653098401 412217881 /nfs/dbraw/zinc/21/78/81/412217881.db2.gz MMIUJNNNWJKVEN-CHWSQXEVSA-N 2 2 277.368 0.824 20 0 CCADLP Cn1cc([C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(C)(C)C)cn1 ZINC000653102426 412218334 /nfs/dbraw/zinc/21/83/34/412218334.db2.gz XYZSGNHBPVWUAR-QWHCGFSZSA-N 2 2 295.431 0.903 20 0 CCADLP CO[C@]1(C)C[C@H](N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)C1(C)C ZINC000653101732 412218502 /nfs/dbraw/zinc/21/85/02/412218502.db2.gz DZNVQWPCIVXIOK-TYNCELHUSA-N 2 2 285.432 0.927 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000653108281 412222072 /nfs/dbraw/zinc/22/20/72/412222072.db2.gz QFQIOPUXPKKFEE-OAHLLOKOSA-N 3 2 292.427 0.643 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)CCO1 ZINC000653114810 412226307 /nfs/dbraw/zinc/22/63/07/412226307.db2.gz XIQRVJLOBRHHKN-XBFCOCLRSA-N 2 2 281.400 0.354 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)CCO1 ZINC000653114810 412226311 /nfs/dbraw/zinc/22/63/11/412226311.db2.gz XIQRVJLOBRHHKN-XBFCOCLRSA-N 2 2 281.400 0.354 20 0 CCADLP Cc1csc([C@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C)n1 ZINC000653116437 412227791 /nfs/dbraw/zinc/22/77/91/412227791.db2.gz GWMSORZHCKRCQK-VHSXEESVSA-N 2 2 270.402 0.908 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000653121015 412229967 /nfs/dbraw/zinc/22/99/67/412229967.db2.gz KSQAXQNWSTUUKK-CABCVRRESA-N 3 2 296.459 0.742 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(c2cccs2)CC1 ZINC000653121827 412230182 /nfs/dbraw/zinc/23/01/82/412230182.db2.gz DEWRMGLBHKGPOI-GFCCVEGCSA-N 2 2 296.440 0.676 20 0 CCADLP CC[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1nccs1 ZINC000653121572 412230422 /nfs/dbraw/zinc/23/04/22/412230422.db2.gz ZDBVPEPOUQVPOW-NXEZZACHSA-N 2 2 270.402 0.989 20 0 CCADLP C[NH+](C)CC[C@H](N)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000653119941 412230444 /nfs/dbraw/zinc/23/04/44/412230444.db2.gz AACVIUMEADHWQB-LBPRGKRZSA-N 2 2 275.356 0.230 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCC[NH2+]CC1)[NH+]1CCN(C)CC1 ZINC000653124707 412232435 /nfs/dbraw/zinc/23/24/35/412232435.db2.gz FJILJWVVEYCEDB-ZIAGYGMSSA-N 2 2 282.432 0.128 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000653128927 412233688 /nfs/dbraw/zinc/23/36/88/412233688.db2.gz BKPUMZWLYNYRGK-ZDUSSCGKSA-N 3 2 280.372 0.242 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000653148720 412242008 /nfs/dbraw/zinc/24/20/08/412242008.db2.gz ITVCWRPSXCJNSG-MELADBBJSA-N 2 2 277.368 0.040 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC1Cc2ccccc2C1 ZINC000653147802 412242395 /nfs/dbraw/zinc/24/23/95/412242395.db2.gz AWEMEYZPHVIAII-CQSZACIVSA-N 2 2 261.369 0.549 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000653149100 412242511 /nfs/dbraw/zinc/24/25/11/412242511.db2.gz WZLNMXZDNMQROC-CHWSQXEVSA-N 3 2 270.421 0.208 20 0 CCADLP COc1cnccc1[C@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653151515 412243472 /nfs/dbraw/zinc/24/34/72/412243472.db2.gz JHJFCHKIHSAYGE-CMPLNLGQSA-N 2 2 280.372 0.546 20 0 CCADLP C[C@H](CN(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)c1nccs1 ZINC000653151702 412243533 /nfs/dbraw/zinc/24/35/33/412243533.db2.gz PJVXTLGOQHQTSB-GHMZBOCLSA-N 2 2 284.429 0.984 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCC[C@@H]1CCCCO1 ZINC000653154630 412245475 /nfs/dbraw/zinc/24/54/75/412245475.db2.gz XELUVKKZJARWKT-QWHCGFSZSA-N 2 2 271.405 0.731 20 0 CCADLP Cc1cc(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)cc(C)[nH+]1 ZINC000653165641 412249298 /nfs/dbraw/zinc/24/92/98/412249298.db2.gz ZOTPGWBSYSUUOM-ZFWWWQNUSA-N 2 2 275.352 0.551 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)C1(COC)CC1 ZINC000653593943 412322441 /nfs/dbraw/zinc/32/24/41/412322441.db2.gz XUTQGECGSZVMTG-LBPRGKRZSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)C1(COC)CC1 ZINC000653593943 412322443 /nfs/dbraw/zinc/32/24/43/412322443.db2.gz XUTQGECGSZVMTG-LBPRGKRZSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)C1(COC)CC1 ZINC000653593943 412322445 /nfs/dbraw/zinc/32/24/45/412322445.db2.gz XUTQGECGSZVMTG-LBPRGKRZSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)C1(COC)CC1 ZINC000653593943 412322447 /nfs/dbraw/zinc/32/24/47/412322447.db2.gz XUTQGECGSZVMTG-LBPRGKRZSA-N 2 2 260.378 0.036 20 0 CCADLP Nc1ncccc1C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000653643928 412328951 /nfs/dbraw/zinc/32/89/51/412328951.db2.gz BREMZBBAKIAVGK-UHFFFAOYSA-N 2 2 258.329 0.709 20 0 CCADLP Cc1cc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)nn1C ZINC000653646107 412329379 /nfs/dbraw/zinc/32/93/79/412329379.db2.gz UOFVDVQMIDYQIE-UHFFFAOYSA-N 2 2 260.345 0.774 20 0 CCADLP C[C@@H](O)CC[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000653689596 412336090 /nfs/dbraw/zinc/33/60/90/412336090.db2.gz BSNZGHFRJJEHFZ-QWHCGFSZSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@@H](O)CC[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000653689596 412336091 /nfs/dbraw/zinc/33/60/91/412336091.db2.gz BSNZGHFRJJEHFZ-QWHCGFSZSA-N 2 2 256.390 0.942 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C(N)=O)[C@H](C)c1ccccc1 ZINC000653694916 412337752 /nfs/dbraw/zinc/33/77/52/412337752.db2.gz VWGCVPDYQCNCTE-YUELXQCFSA-N 2 2 293.411 0.546 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C(N)=O)[C@H](C)c1ccccc1 ZINC000653694916 412337754 /nfs/dbraw/zinc/33/77/54/412337754.db2.gz VWGCVPDYQCNCTE-YUELXQCFSA-N 2 2 293.411 0.546 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cc(Cl)ccn1 ZINC000653346644 412292182 /nfs/dbraw/zinc/29/21/82/412292182.db2.gz BXSRJIRYIICDRG-SECBINFHSA-N 2 2 256.737 0.953 20 0 CCADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3COC[C@H]3n3ccnn3)n2c1 ZINC000284969645 196167879 /nfs/dbraw/zinc/16/78/79/196167879.db2.gz YCOFLLLUWHBOAO-UONOGXRCSA-N 2 2 298.350 0.964 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000654928709 412450717 /nfs/dbraw/zinc/45/07/17/412450717.db2.gz JJSCDQCBGBSDNC-WZRBSPASSA-N 2 2 280.372 0.424 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000654928709 412450718 /nfs/dbraw/zinc/45/07/18/412450718.db2.gz JJSCDQCBGBSDNC-WZRBSPASSA-N 2 2 280.372 0.424 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000654928709 412450721 /nfs/dbraw/zinc/45/07/21/412450721.db2.gz JJSCDQCBGBSDNC-WZRBSPASSA-N 2 2 280.372 0.424 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000654928709 412450723 /nfs/dbraw/zinc/45/07/23/412450723.db2.gz JJSCDQCBGBSDNC-WZRBSPASSA-N 2 2 280.372 0.424 20 0 CCADLP CC(C)[C@H]([NH3+])CCNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000659450946 413509688 /nfs/dbraw/zinc/50/96/88/413509688.db2.gz IXQMOJUSQQGBCX-QWHCGFSZSA-N 2 2 286.420 0.380 20 0 CCADLP CC(C)[C@H]([NH3+])CCNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000659450946 413509695 /nfs/dbraw/zinc/50/96/95/413509695.db2.gz IXQMOJUSQQGBCX-QWHCGFSZSA-N 2 2 286.420 0.380 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659495158 413548173 /nfs/dbraw/zinc/54/81/73/413548173.db2.gz KFNZRNXGZKICDH-GHMZBOCLSA-N 2 2 282.319 0.671 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)N(C)CCC[NH3+])c2[nH+]ccn21 ZINC000659502297 413556148 /nfs/dbraw/zinc/55/61/48/413556148.db2.gz VEQOFKAJWRHWAS-VHSXEESVSA-N 2 2 251.334 0.879 20 0 CCADLP CC[C@@H]1C[C@@H](C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CCO1 ZINC000516649688 287265774 /nfs/dbraw/zinc/26/57/74/287265774.db2.gz YRIKNVIVHPOCPD-YNEHKIRRSA-N 2 2 269.389 0.293 20 0 CCADLP CC[C@@H]1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CCO1 ZINC000516649688 287265779 /nfs/dbraw/zinc/26/57/79/287265779.db2.gz YRIKNVIVHPOCPD-YNEHKIRRSA-N 2 2 269.389 0.293 20 0 CCADLP CC(C)C[C@@H](C[NH3+])NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659523838 413597399 /nfs/dbraw/zinc/59/73/99/413597399.db2.gz XMKAWLGYLYVGGT-KBPBESRZSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659556815 413651565 /nfs/dbraw/zinc/65/15/65/413651565.db2.gz VNVWKYXKXVWKIJ-XQQFMLRXSA-N 2 2 284.404 0.228 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000659536529 413621032 /nfs/dbraw/zinc/62/10/32/413621032.db2.gz IHMSCPQFXTWMFH-MGPQQGTHSA-N 2 2 296.415 0.372 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000659637407 413740095 /nfs/dbraw/zinc/74/00/95/413740095.db2.gz FKVIGKRBVKCDHW-ZDUSSCGKSA-N 2 2 291.399 0.517 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659614587 413707961 /nfs/dbraw/zinc/70/79/61/413707961.db2.gz NYYWZDNLFFQLCL-DNOWBOINSA-N 2 2 296.415 0.101 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000659635229 413736389 /nfs/dbraw/zinc/73/63/89/413736389.db2.gz BRFICDNRYZGPGP-GHMZBOCLSA-N 2 2 265.361 0.907 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(=O)[nH]n1 ZINC000285509048 196307722 /nfs/dbraw/zinc/30/77/22/196307722.db2.gz DEFFZQFUKYBTAC-FRRDWIJNSA-N 2 2 294.399 0.920 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(=O)[nH]n1 ZINC000285509048 196307724 /nfs/dbraw/zinc/30/77/24/196307724.db2.gz DEFFZQFUKYBTAC-FRRDWIJNSA-N 2 2 294.399 0.920 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@H+](CCc2nnn(C(C)(C)C)n2)C1 ZINC000659925425 413973610 /nfs/dbraw/zinc/97/36/10/413973610.db2.gz JCLAFQZURPFXME-GFCCVEGCSA-N 2 2 280.420 0.854 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@@H+](CCc2nnn(C(C)(C)C)n2)C1 ZINC000659925425 413973620 /nfs/dbraw/zinc/97/36/20/413973620.db2.gz JCLAFQZURPFXME-GFCCVEGCSA-N 2 2 280.420 0.854 20 0 CCADLP CC1(C)C[C@H]([NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)CO1 ZINC000660120850 414127203 /nfs/dbraw/zinc/12/72/03/414127203.db2.gz ONRDTADAPJEIAG-UONOGXRCSA-N 2 2 295.427 0.968 20 0 CCADLP C[NH2+]CCC(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000285870412 196426058 /nfs/dbraw/zinc/42/60/58/196426058.db2.gz ZYQRIYYHTWXBQJ-UHFFFAOYSA-N 2 2 291.395 0.949 20 0 CCADLP COc1cc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)on1 ZINC000660420205 414306607 /nfs/dbraw/zinc/30/66/07/414306607.db2.gz OTDAMDOEOPQHOL-UHFFFAOYSA-N 2 2 263.301 0.729 20 0 CCADLP CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H]1CC(=O)N(C)C1=O ZINC000660485222 414353905 /nfs/dbraw/zinc/35/39/05/414353905.db2.gz DLMGMFUOFDRODI-OLZOCXBDSA-N 2 2 299.415 0.157 20 0 CCADLP CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H]1CC(=O)N(C)C1=O ZINC000660485222 414353912 /nfs/dbraw/zinc/35/39/12/414353912.db2.gz DLMGMFUOFDRODI-OLZOCXBDSA-N 2 2 299.415 0.157 20 0 CCADLP CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)[C@H]1CC(=O)N(C)C1=O ZINC000660485222 414353917 /nfs/dbraw/zinc/35/39/17/414353917.db2.gz DLMGMFUOFDRODI-OLZOCXBDSA-N 2 2 299.415 0.157 20 0 CCADLP CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)[C@H]1CC(=O)N(C)C1=O ZINC000660485222 414353923 /nfs/dbraw/zinc/35/39/23/414353923.db2.gz DLMGMFUOFDRODI-OLZOCXBDSA-N 2 2 299.415 0.157 20 0 CCADLP CCN1CC[C@H]([N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000660617812 414415227 /nfs/dbraw/zinc/41/52/27/414415227.db2.gz ZCLNEJGPHCDESI-GXTWGEPZSA-N 2 2 251.374 0.635 20 0 CCADLP CCN1CC[C@H]([N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000660617812 414415232 /nfs/dbraw/zinc/41/52/32/414415232.db2.gz ZCLNEJGPHCDESI-GXTWGEPZSA-N 2 2 251.374 0.635 20 0 CCADLP CCN1CC[C@H]([NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)C1=O ZINC000660617812 414415238 /nfs/dbraw/zinc/41/52/38/414415238.db2.gz ZCLNEJGPHCDESI-GXTWGEPZSA-N 2 2 251.374 0.635 20 0 CCADLP CCN1CC[C@H]([NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000660617812 414415240 /nfs/dbraw/zinc/41/52/40/414415240.db2.gz ZCLNEJGPHCDESI-GXTWGEPZSA-N 2 2 251.374 0.635 20 0 CCADLP CC(C)NC(=O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660653693 414429835 /nfs/dbraw/zinc/42/98/35/414429835.db2.gz UTQLLNVIFCJYKG-CQSZACIVSA-N 2 2 253.390 0.929 20 0 CCADLP CC(C)NC(=O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660653693 414429842 /nfs/dbraw/zinc/42/98/42/414429842.db2.gz UTQLLNVIFCJYKG-CQSZACIVSA-N 2 2 253.390 0.929 20 0 CCADLP CC(C)NC(=O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660653693 414429847 /nfs/dbraw/zinc/42/98/47/414429847.db2.gz UTQLLNVIFCJYKG-CQSZACIVSA-N 2 2 253.390 0.929 20 0 CCADLP CC(C)NC(=O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660653693 414429851 /nfs/dbraw/zinc/42/98/51/414429851.db2.gz UTQLLNVIFCJYKG-CQSZACIVSA-N 2 2 253.390 0.929 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](CCc2cn[nH]n2)CC1 ZINC000660675200 414436718 /nfs/dbraw/zinc/43/67/18/414436718.db2.gz XATNZIKYIKPXNZ-UHFFFAOYSA-N 2 2 267.377 0.172 20 0 CCADLP CC[N@@H+]1CCCN(CC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000660791589 414481405 /nfs/dbraw/zinc/48/14/05/414481405.db2.gz PXCPQJKDCOXHBV-AWEZNQCLSA-N 2 2 255.406 0.735 20 0 CCADLP CC[N@H+]1CCCN(CC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000660791589 414481408 /nfs/dbraw/zinc/48/14/08/414481408.db2.gz PXCPQJKDCOXHBV-AWEZNQCLSA-N 2 2 255.406 0.735 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCc2c(cnn2C)C1 ZINC000660799467 414483622 /nfs/dbraw/zinc/48/36/22/414483622.db2.gz WENSDHAIUPUHFO-CQSZACIVSA-N 2 2 280.416 0.869 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCc2c(cnn2C)C1 ZINC000660799467 414483627 /nfs/dbraw/zinc/48/36/27/414483627.db2.gz WENSDHAIUPUHFO-CQSZACIVSA-N 2 2 280.416 0.869 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCCc2c(cnn2C)C1 ZINC000660799467 414483630 /nfs/dbraw/zinc/48/36/30/414483630.db2.gz WENSDHAIUPUHFO-CQSZACIVSA-N 2 2 280.416 0.869 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCCc2c(cnn2C)C1 ZINC000660799467 414483634 /nfs/dbraw/zinc/48/36/34/414483634.db2.gz WENSDHAIUPUHFO-CQSZACIVSA-N 2 2 280.416 0.869 20 0 CCADLP C[C@H](NC(=O)N[C@H]1CCC[N@H+](C)C1)c1[nH+]ccn1C ZINC000660835387 414498799 /nfs/dbraw/zinc/49/87/99/414498799.db2.gz FHBXUPGREOELHL-QWRGUYRKSA-N 2 2 265.361 0.875 20 0 CCADLP C[C@H](NC(=O)N[C@H]1CCC[N@@H+](C)C1)c1[nH+]ccn1C ZINC000660835387 414498802 /nfs/dbraw/zinc/49/88/02/414498802.db2.gz FHBXUPGREOELHL-QWRGUYRKSA-N 2 2 265.361 0.875 20 0 CCADLP COc1cc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)on1 ZINC000660902602 414525083 /nfs/dbraw/zinc/52/50/83/414525083.db2.gz FMGOHINOVOCHEU-UHFFFAOYSA-N 2 2 281.356 0.980 20 0 CCADLP COc1cc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)on1 ZINC000660902602 414525086 /nfs/dbraw/zinc/52/50/86/414525086.db2.gz FMGOHINOVOCHEU-UHFFFAOYSA-N 2 2 281.356 0.980 20 0 CCADLP C[C@H](c1ccccn1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031060 174024944 /nfs/dbraw/zinc/02/49/44/174024944.db2.gz AMWZJQHWFXFFQG-GFCCVEGCSA-N 2 2 262.357 0.506 20 0 CCADLP C[C@H](c1ccccn1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031060 174024946 /nfs/dbraw/zinc/02/49/46/174024946.db2.gz AMWZJQHWFXFFQG-GFCCVEGCSA-N 2 2 262.357 0.506 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C)[C@H]1CCO ZINC000661490924 414632815 /nfs/dbraw/zinc/63/28/15/414632815.db2.gz FWRCVHAUDDBDJI-QLFBSQMISA-N 2 2 288.432 0.408 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C)[C@H]1CCO ZINC000661490924 414632819 /nfs/dbraw/zinc/63/28/19/414632819.db2.gz FWRCVHAUDDBDJI-QLFBSQMISA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCO ZINC000661490924 414632824 /nfs/dbraw/zinc/63/28/24/414632824.db2.gz FWRCVHAUDDBDJI-QLFBSQMISA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](C)[C@H]1CCO ZINC000661490924 414632829 /nfs/dbraw/zinc/63/28/29/414632829.db2.gz FWRCVHAUDDBDJI-QLFBSQMISA-N 2 2 288.432 0.408 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)CC1 ZINC000661623763 414655883 /nfs/dbraw/zinc/65/58/83/414655883.db2.gz NWPYXRMQIWSWQE-LJISPDSOSA-N 2 2 297.443 0.488 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)CC1 ZINC000661623763 414655885 /nfs/dbraw/zinc/65/58/85/414655885.db2.gz NWPYXRMQIWSWQE-LJISPDSOSA-N 2 2 297.443 0.488 20 0 CCADLP CC(C)CNC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747136 174392506 /nfs/dbraw/zinc/39/25/06/174392506.db2.gz LHDBMIOSFFRAGB-FUNVUKJBSA-N 2 2 253.390 0.973 20 0 CCADLP CC(C)CNC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747136 174392507 /nfs/dbraw/zinc/39/25/07/174392507.db2.gz LHDBMIOSFFRAGB-FUNVUKJBSA-N 2 2 253.390 0.973 20 0 CCADLP C[N@H+](CCc1nnn(C(C)(C)C)n1)C1(C[NH3+])CCC1 ZINC000662273831 414704105 /nfs/dbraw/zinc/70/41/05/414704105.db2.gz QAGDLUYNUSAZIC-UHFFFAOYSA-N 2 2 266.393 0.784 20 0 CCADLP C[N@@H+](CCc1nnn(C(C)(C)C)n1)C1(C[NH3+])CCC1 ZINC000662273831 414704106 /nfs/dbraw/zinc/70/41/06/414704106.db2.gz QAGDLUYNUSAZIC-UHFFFAOYSA-N 2 2 266.393 0.784 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000662273592 414704313 /nfs/dbraw/zinc/70/43/13/414704313.db2.gz OYDIPPULRRWDDC-UONOGXRCSA-N 3 2 253.390 0.296 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662278086 414704416 /nfs/dbraw/zinc/70/44/16/414704416.db2.gz VJKYRLJQFONPHY-LPWJVIDDSA-N 3 2 253.390 0.484 20 0 CCADLP C[C@H]1CCCC[C@H]1NC(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662285524 414706230 /nfs/dbraw/zinc/70/62/30/414706230.db2.gz COAKHCNPOFBUJC-QWHCGFSZSA-N 2 2 283.416 0.385 20 0 CCADLP CC(C)CN(C(=O)C[NH2+]C1(CO)CC[NH2+]CC1)C1CC1 ZINC000662287058 414706664 /nfs/dbraw/zinc/70/66/64/414706664.db2.gz RFVNRDSBERXQEF-UHFFFAOYSA-N 2 2 283.416 0.338 20 0 CCADLP CC(C)C[C@H](C)N(C)C(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662286058 414706764 /nfs/dbraw/zinc/70/67/64/414706764.db2.gz SIPREOBZEBMPHA-ZDUSSCGKSA-N 2 2 285.432 0.584 20 0 CCADLP Cc1ccc(NC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)cc1 ZINC000662286655 414706825 /nfs/dbraw/zinc/70/68/25/414706825.db2.gz VRYARBYXNPDJPK-UHFFFAOYSA-N 2 2 277.368 0.638 20 0 CCADLP CCOc1ccc(C[NH2+]C2(CO)CC[NH2+]CC2)nc1 ZINC000662287190 414706941 /nfs/dbraw/zinc/70/69/41/414706941.db2.gz SLWKDCODIRTUBC-UHFFFAOYSA-N 2 2 265.357 0.684 20 0 CCADLP Cc1ccc(OCCC[N@H+](CC[NH3+])C[C@H](O)CO)cc1C ZINC000662287881 414707219 /nfs/dbraw/zinc/70/72/19/414707219.db2.gz BQVHPHOPJXWQNM-HNNXBMFYSA-N 2 2 296.411 0.686 20 0 CCADLP Cc1ccc(OCCC[N@@H+](CC[NH3+])C[C@H](O)CO)cc1C ZINC000662287881 414707220 /nfs/dbraw/zinc/70/72/20/414707220.db2.gz BQVHPHOPJXWQNM-HNNXBMFYSA-N 2 2 296.411 0.686 20 0 CCADLP [NH3+]CC[N@@H+](Cc1ccc2ccccc2c1)C[C@@H](O)CO ZINC000662289944 414707517 /nfs/dbraw/zinc/70/75/17/414707517.db2.gz ZUWMGLCZWCODNG-MRXNPFEDSA-N 2 2 274.364 0.954 20 0 CCADLP [NH3+]CC[N@H+](Cc1ccc2ccccc2c1)C[C@@H](O)CO ZINC000662289944 414707518 /nfs/dbraw/zinc/70/75/18/414707518.db2.gz ZUWMGLCZWCODNG-MRXNPFEDSA-N 2 2 274.364 0.954 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291927 414707699 /nfs/dbraw/zinc/70/76/99/414707699.db2.gz ARSIGDMNAXZUTE-GJZGRUSLSA-N 3 2 267.417 0.686 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+](C)Cc1ccc(OC)nc1 ZINC000662297033 414707796 /nfs/dbraw/zinc/70/77/96/414707796.db2.gz XZZZALPUXZGYFF-ZDUSSCGKSA-N 2 2 253.346 0.492 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+](C)Cc1ccc(OC)nc1 ZINC000662297033 414707797 /nfs/dbraw/zinc/70/77/97/414707797.db2.gz XZZZALPUXZGYFF-ZDUSSCGKSA-N 2 2 253.346 0.492 20 0 CCADLP CC(C)([NH3+])c1noc(CN2CC[NH+]([C@@H]3CCOC3)CC2)n1 ZINC000662307479 414708368 /nfs/dbraw/zinc/70/83/68/414708368.db2.gz WHAYMCVHPQDJEQ-LLVKDONJSA-N 2 2 295.387 0.170 20 0 CCADLP CN1CC[C@@H]([N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)C1=O ZINC000662319090 414709284 /nfs/dbraw/zinc/70/92/84/414709284.db2.gz DBFLLPXVLYRABF-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CN1CC[C@@H]([N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)C1=O ZINC000662319090 414709285 /nfs/dbraw/zinc/70/92/85/414709285.db2.gz DBFLLPXVLYRABF-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@H]1CN(CC[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)CCO1 ZINC000662150676 414693669 /nfs/dbraw/zinc/69/36/69/414693669.db2.gz AARRNZGNVGMEPM-HOCLYGCPSA-N 2 2 297.443 0.238 20 0 CCADLP C[C@H]1CN(CC[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)CCO1 ZINC000662150676 414693670 /nfs/dbraw/zinc/69/36/70/414693670.db2.gz AARRNZGNVGMEPM-HOCLYGCPSA-N 2 2 297.443 0.238 20 0 CCADLP CN1CCC[C@@H]([NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1=O ZINC000662152940 414694336 /nfs/dbraw/zinc/69/43/36/414694336.db2.gz JUXYRHXDAAZGGT-UONOGXRCSA-N 2 2 281.400 0.138 20 0 CCADLP CN1CCC[C@@H]([NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)C1=O ZINC000662152940 414694337 /nfs/dbraw/zinc/69/43/37/414694337.db2.gz JUXYRHXDAAZGGT-UONOGXRCSA-N 2 2 281.400 0.138 20 0 CCADLP CNS(=O)(=O)c1ccc(C[NH+]2CCC([NH2+]C)CC2)cc1 ZINC000662242972 414698951 /nfs/dbraw/zinc/69/89/51/414698951.db2.gz FZBOGUZGEQIKQK-UHFFFAOYSA-N 2 2 297.424 0.779 20 0 CCADLP CCCCNC(=O)C1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662250623 414699061 /nfs/dbraw/zinc/69/90/61/414699061.db2.gz KDHKDZSEFWWTHN-AWEZNQCLSA-N 2 2 283.416 0.603 20 0 CCADLP CCCNC(=O)C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662248458 414699490 /nfs/dbraw/zinc/69/94/90/414699490.db2.gz CAKHOCYVWOVDAF-CYBMUJFWSA-N 2 2 269.389 0.213 20 0 CCADLP O=C(NCC1CC1)[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662252186 414699622 /nfs/dbraw/zinc/69/96/22/414699622.db2.gz MQEYNCXIJVXWQS-KBPBESRZSA-N 2 2 281.400 0.213 20 0 CCADLP O=C(NCC1CC1)[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662252186 414699623 /nfs/dbraw/zinc/69/96/23/414699623.db2.gz MQEYNCXIJVXWQS-KBPBESRZSA-N 2 2 281.400 0.213 20 0 CCADLP CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662252552 414699725 /nfs/dbraw/zinc/69/97/25/414699725.db2.gz AGHLQSPENVEQHP-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP CCN(CC)C(=O)[C@H]1CCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662252552 414699726 /nfs/dbraw/zinc/69/97/26/414699726.db2.gz AGHLQSPENVEQHP-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP O=C1C[C@H](c2ccccc2)[N@H+](C[C@H]2C[NH2+]CCO2)CCN1 ZINC000662252516 414699765 /nfs/dbraw/zinc/69/97/65/414699765.db2.gz PBLRJIJYOFJTEG-HUUCEWRRSA-N 2 2 289.379 0.538 20 0 CCADLP O=C1C[C@H](c2ccccc2)[N@@H+](C[C@H]2C[NH2+]CCO2)CCN1 ZINC000662252516 414699766 /nfs/dbraw/zinc/69/97/66/414699766.db2.gz PBLRJIJYOFJTEG-HUUCEWRRSA-N 2 2 289.379 0.538 20 0 CCADLP COCCc1noc(C[N@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662256037 414700387 /nfs/dbraw/zinc/70/03/87/414700387.db2.gz ILDSOJHQJYRNGH-NSHDSACASA-N 2 2 296.371 0.211 20 0 CCADLP COCCc1noc(C[N@@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662256037 414700388 /nfs/dbraw/zinc/70/03/88/414700388.db2.gz ILDSOJHQJYRNGH-NSHDSACASA-N 2 2 296.371 0.211 20 0 CCADLP O[C@H]([C@H]1CCC[N@@H+]1C[C@H]1C[NH2+]CCO1)C(F)(F)F ZINC000662256978 414700588 /nfs/dbraw/zinc/70/05/88/414700588.db2.gz KVXOQAAHJFOUIA-OPRDCNLKSA-N 2 2 268.279 0.362 20 0 CCADLP O[C@H]([C@H]1CCC[N@H+]1C[C@H]1C[NH2+]CCO1)C(F)(F)F ZINC000662256978 414700589 /nfs/dbraw/zinc/70/05/89/414700589.db2.gz KVXOQAAHJFOUIA-OPRDCNLKSA-N 2 2 268.279 0.362 20 0 CCADLP CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662256967 414700823 /nfs/dbraw/zinc/70/08/23/414700823.db2.gz KUNUYDVDRXPPAT-UONOGXRCSA-N 2 2 297.443 0.849 20 0 CCADLP CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662256967 414700824 /nfs/dbraw/zinc/70/08/24/414700824.db2.gz KUNUYDVDRXPPAT-UONOGXRCSA-N 2 2 297.443 0.849 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)c2csc(C[NH3+])n2)[C@H](C)CO1 ZINC000662629468 414734391 /nfs/dbraw/zinc/73/43/91/414734391.db2.gz GDKNGPFHTSHQPB-NXEZZACHSA-N 2 2 298.412 0.441 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)c2csc(C[NH3+])n2)[C@H](C)CO1 ZINC000662629468 414734392 /nfs/dbraw/zinc/73/43/92/414734392.db2.gz GDKNGPFHTSHQPB-NXEZZACHSA-N 2 2 298.412 0.441 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]([NH3+])c2ccccc2)[C@@H](C)CO1 ZINC000662631587 414734980 /nfs/dbraw/zinc/73/49/80/414734980.db2.gz UCXWULXYKARYOH-GUTXKFCHSA-N 2 2 291.395 0.912 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]([NH3+])c2ccccc2)[C@@H](C)CO1 ZINC000662631587 414734981 /nfs/dbraw/zinc/73/49/81/414734981.db2.gz UCXWULXYKARYOH-GUTXKFCHSA-N 2 2 291.395 0.912 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000662630845 414735047 /nfs/dbraw/zinc/73/50/47/414735047.db2.gz NROKLOLBRQONQW-JHJVBQTASA-N 2 2 271.405 0.600 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000662630845 414735048 /nfs/dbraw/zinc/73/50/48/414735048.db2.gz NROKLOLBRQONQW-JHJVBQTASA-N 2 2 271.405 0.600 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000662632816 414735238 /nfs/dbraw/zinc/73/52/38/414735238.db2.gz UEOBURHXGCKMEX-HUUCEWRRSA-N 3 2 296.459 0.517 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000662632816 414735239 /nfs/dbraw/zinc/73/52/39/414735239.db2.gz UEOBURHXGCKMEX-HUUCEWRRSA-N 3 2 296.459 0.517 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)[C@@H](C)CO1 ZINC000662632341 414735296 /nfs/dbraw/zinc/73/52/96/414735296.db2.gz CHODXSZSVBPBNW-SFDCQRBFSA-N 2 2 281.400 0.211 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)[C@@H](C)CO1 ZINC000662632341 414735297 /nfs/dbraw/zinc/73/52/97/414735297.db2.gz CHODXSZSVBPBNW-SFDCQRBFSA-N 2 2 281.400 0.211 20 0 CCADLP CC1(C)CC[NH2+][C@@H]1C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000662665454 414738819 /nfs/dbraw/zinc/73/88/19/414738819.db2.gz KSWGTMKLMQIKDT-ZIAGYGMSSA-N 2 2 295.427 0.698 20 0 CCADLP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000662672015 414739463 /nfs/dbraw/zinc/73/94/63/414739463.db2.gz UGARZMPBXKDGHB-CHWSQXEVSA-N 2 2 288.351 0.357 20 0 CCADLP O=C(N1CC[NH+](C2CC2)CC1)C1([NH2+]C2CC2)CCC1 ZINC000662673720 414739807 /nfs/dbraw/zinc/73/98/07/414739807.db2.gz PLVFKMJJYAMVHC-UHFFFAOYSA-N 2 2 263.385 0.968 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@@H]1[NH2+]CCC1(C)C)[NH+]1CCOCC1 ZINC000662673964 414739901 /nfs/dbraw/zinc/73/99/01/414739901.db2.gz UHRPBZVQZIMHGI-KBPBESRZSA-N 2 2 297.443 0.848 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)CCOC2 ZINC000662691437 414741773 /nfs/dbraw/zinc/74/17/73/414741773.db2.gz HNSCUYXDIXJBCM-AWEZNQCLSA-N 2 2 277.368 0.977 20 0 CCADLP CC(C)[NH2+]CC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662706907 414744081 /nfs/dbraw/zinc/74/40/81/414744081.db2.gz YPPRAJQTUPWWIC-UHFFFAOYSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662714265 414745738 /nfs/dbraw/zinc/74/57/38/414745738.db2.gz CRUORVWMYBJHLV-SNVBAGLBSA-N 2 2 296.371 0.319 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662714265 414745739 /nfs/dbraw/zinc/74/57/39/414745739.db2.gz CRUORVWMYBJHLV-SNVBAGLBSA-N 2 2 296.371 0.319 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)[C@@H]3CCO[C@H]3C[NH3+])cn21 ZINC000662727875 414747060 /nfs/dbraw/zinc/74/70/60/414747060.db2.gz YOWDHYKRMGLVRQ-OLZOCXBDSA-N 2 2 288.351 0.623 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662835428 414829023 /nfs/dbraw/zinc/82/90/23/414829023.db2.gz OBKIONWHNDGWMC-MELADBBJSA-N 3 2 282.432 0.399 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000662835428 414829027 /nfs/dbraw/zinc/82/90/27/414829027.db2.gz OBKIONWHNDGWMC-MELADBBJSA-N 3 2 282.432 0.399 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662839534 414834380 /nfs/dbraw/zinc/83/43/80/414834380.db2.gz TYSAKUAZQJLZAK-JTQLQIEISA-N 2 2 276.262 0.910 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662839534 414834384 /nfs/dbraw/zinc/83/43/84/414834384.db2.gz TYSAKUAZQJLZAK-JTQLQIEISA-N 2 2 276.262 0.910 20 0 CCADLP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1CSC[NH2+]1 ZINC000662840053 414835069 /nfs/dbraw/zinc/83/50/69/414835069.db2.gz XEWDGRUWYPHBBS-WOPDTQHZSA-N 2 2 269.414 0.782 20 0 CCADLP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H]1CSC[NH2+]1 ZINC000662840053 414835073 /nfs/dbraw/zinc/83/50/73/414835073.db2.gz XEWDGRUWYPHBBS-WOPDTQHZSA-N 2 2 269.414 0.782 20 0 CCADLP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1CSC[NH2+]1 ZINC000662840049 414835178 /nfs/dbraw/zinc/83/51/78/414835178.db2.gz XEWDGRUWYPHBBS-IJLUTSLNSA-N 2 2 269.414 0.782 20 0 CCADLP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1CSC[NH2+]1 ZINC000662840049 414835182 /nfs/dbraw/zinc/83/51/82/414835182.db2.gz XEWDGRUWYPHBBS-IJLUTSLNSA-N 2 2 269.414 0.782 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000662858300 414850313 /nfs/dbraw/zinc/85/03/13/414850313.db2.gz XGMRHPNHPWKXKY-ZIAGYGMSSA-N 3 2 284.448 0.374 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000662858300 414850317 /nfs/dbraw/zinc/85/03/17/414850317.db2.gz XGMRHPNHPWKXKY-ZIAGYGMSSA-N 3 2 284.448 0.374 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)c2c[nH+]ccc2N)[C@@H](C)CO1 ZINC000662860962 414851052 /nfs/dbraw/zinc/85/10/52/414851052.db2.gz WFNIOHUJOKQIBR-QWRGUYRKSA-N 2 2 278.356 0.333 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)c2c[nH+]ccc2N)[C@@H](C)CO1 ZINC000662860962 414851057 /nfs/dbraw/zinc/85/10/57/414851057.db2.gz WFNIOHUJOKQIBR-QWRGUYRKSA-N 2 2 278.356 0.333 20 0 CCADLP CN(C(=O)CCCC[NH3+])[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662901192 414878971 /nfs/dbraw/zinc/87/89/71/414878971.db2.gz UGRMKCZDWCHPHP-HNNXBMFYSA-N 3 2 296.459 0.742 20 0 CCADLP CN(C(=O)CCCC[NH3+])[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662901192 414878975 /nfs/dbraw/zinc/87/89/75/414878975.db2.gz UGRMKCZDWCHPHP-HNNXBMFYSA-N 3 2 296.459 0.742 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000662932449 414900030 /nfs/dbraw/zinc/90/00/30/414900030.db2.gz BHDCAXWHVXPJON-MXWKQRLJSA-N 2 2 250.346 0.985 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663220905 415019966 /nfs/dbraw/zinc/01/99/66/415019966.db2.gz KPCBGIZUUSULTM-ZYHUDNBSSA-N 2 2 251.334 0.323 20 0 CCADLP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC(F)(F)C(C)(C)C)CC1 ZINC000663379244 415053285 /nfs/dbraw/zinc/05/32/85/415053285.db2.gz SFWNJSBOFKSGDK-LBPRGKRZSA-N 2 2 293.402 0.866 20 0 CCADLP C([NH2+]C[C@H]1CCC[NH2+]C1)c1nc2c(s1)C[NH2+]CC2 ZINC000663493740 415076765 /nfs/dbraw/zinc/07/67/65/415076765.db2.gz JGQQRUJQUCMQKS-JTQLQIEISA-N 3 2 266.414 0.878 20 0 CCADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@H]1C[NH2+]CCO1 ZINC000043710875 175103415 /nfs/dbraw/zinc/10/34/15/175103415.db2.gz HHKHDARRNDNUKY-CYBMUJFWSA-N 2 2 272.308 0.799 20 0 CCADLP CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277988 415585304 /nfs/dbraw/zinc/58/53/04/415585304.db2.gz ROUBNHKDTKSNSK-QBHFIFKDSA-N 2 2 272.414 0.684 20 0 CCADLP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000665275991 415586716 /nfs/dbraw/zinc/58/67/16/415586716.db2.gz WQCAJZFMFOUQDS-CFVMTHIKSA-N 3 2 267.417 0.957 20 0 CCADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)C[NH2+]C)cc1 ZINC000665293874 415589183 /nfs/dbraw/zinc/58/91/83/415589183.db2.gz DUOHUZYWMMHGRP-QWRGUYRKSA-N 2 2 285.413 0.853 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NCc2cccs2)C1 ZINC000071147510 176043421 /nfs/dbraw/zinc/04/34/21/176043421.db2.gz LTJRCDAUMWNVIP-NSHDSACASA-N 2 2 267.398 0.906 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NCc2cccs2)C1 ZINC000071147510 176043423 /nfs/dbraw/zinc/04/34/23/176043423.db2.gz LTJRCDAUMWNVIP-NSHDSACASA-N 2 2 267.398 0.906 20 0 CCADLP C[C@H]1CCCC[N@@H+]1CCNc1nc[nH+]c2c1OCCN2 ZINC000665692189 416474953 /nfs/dbraw/zinc/47/49/53/416474953.db2.gz NMIFIQHIPCMNLR-NSHDSACASA-N 2 2 277.372 0.680 20 0 CCADLP C[C@H]1CCCC[N@H+]1CCNc1nc[nH+]c2c1OCCN2 ZINC000665692189 416474959 /nfs/dbraw/zinc/47/49/59/416474959.db2.gz NMIFIQHIPCMNLR-NSHDSACASA-N 2 2 277.372 0.680 20 0 CCADLP Cc1cc(C[NH2+]C[C@@H](C)C[NH+]2CCOCC2)n(C)n1 ZINC000417939668 227242462 /nfs/dbraw/zinc/24/24/62/227242462.db2.gz KNPZCEVCWUAYPR-GFCCVEGCSA-N 2 2 266.389 0.786 20 0 CCADLP CC(C)c1nc(NC[C@H]2COCC[NH2+]2)nc(N(C)C)[nH+]1 ZINC000630532863 419467639 /nfs/dbraw/zinc/46/76/39/419467639.db2.gz NDMBHKPDBYYHAS-JTQLQIEISA-N 2 2 280.376 0.461 20 0 CCADLP C[N@@H+]1CCC[C@H]([NH2+]CC(C)(C)N2CCOCC2)C1 ZINC000134240846 544629953 /nfs/dbraw/zinc/62/99/53/544629953.db2.gz QGRIZDZKVOJNKB-ZDUSSCGKSA-N 2 2 255.406 0.781 20 0 CCADLP C[N@H+]1CCC[C@H]([NH2+]CC(C)(C)N2CCOCC2)C1 ZINC000134240846 544629958 /nfs/dbraw/zinc/62/99/58/544629958.db2.gz QGRIZDZKVOJNKB-ZDUSSCGKSA-N 2 2 255.406 0.781 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000134977660 544632650 /nfs/dbraw/zinc/63/26/50/544632650.db2.gz KGISPMHTCZWRGQ-NEPJUHHUSA-N 2 2 257.378 0.162 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000134977660 544632657 /nfs/dbraw/zinc/63/26/57/544632657.db2.gz KGISPMHTCZWRGQ-NEPJUHHUSA-N 2 2 257.378 0.162 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000134977660 544632661 /nfs/dbraw/zinc/63/26/61/544632661.db2.gz KGISPMHTCZWRGQ-NEPJUHHUSA-N 2 2 257.378 0.162 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000134977660 544632664 /nfs/dbraw/zinc/63/26/64/544632664.db2.gz KGISPMHTCZWRGQ-NEPJUHHUSA-N 2 2 257.378 0.162 20 0 CCADLP [NH3+]C1(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000165947792 544723846 /nfs/dbraw/zinc/72/38/46/544723846.db2.gz VADGHXKCUUICIQ-UHFFFAOYSA-N 2 2 275.352 0.949 20 0 CCADLP C[C@@H](CCO)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175790058 544739154 /nfs/dbraw/zinc/73/91/54/544739154.db2.gz JUDLEPJRNPPUJA-LBPRGKRZSA-N 2 2 286.420 0.083 20 0 CCADLP [NH3+]Cc1ccc(C(=O)NCC[NH+]2CCSCC2)o1 ZINC000226389959 544830553 /nfs/dbraw/zinc/83/05/53/544830553.db2.gz KQQHNDKICFAYHO-UHFFFAOYSA-N 2 2 269.370 0.517 20 0 CCADLP COc1ccnc(C[N@H+](C)CCN2CC[NH2+]CC2)c1OC ZINC000232197904 544862811 /nfs/dbraw/zinc/86/28/11/544862811.db2.gz WINJILAQEDGQBX-UHFFFAOYSA-N 2 2 294.399 0.436 20 0 CCADLP COc1ccnc(C[N@@H+](C)CCN2CC[NH2+]CC2)c1OC ZINC000232197904 544862812 /nfs/dbraw/zinc/86/28/12/544862812.db2.gz WINJILAQEDGQBX-UHFFFAOYSA-N 2 2 294.399 0.436 20 0 CCADLP COc1cc[nH+]c(CN2CCC[NH2+]CC2)c1OC ZINC000232192989 544862999 /nfs/dbraw/zinc/86/29/99/544862999.db2.gz VANKJUZYCZKTSS-UHFFFAOYSA-N 2 2 251.330 0.894 20 0 CCADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)C[NH+]1CCOCC1 ZINC000276373381 544954285 /nfs/dbraw/zinc/95/42/85/544954285.db2.gz CGKAZPWMUMKVLQ-GFCCVEGCSA-N 2 2 280.372 0.427 20 0 CCADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)C[NH+]1CCOCC1 ZINC000276373381 544954289 /nfs/dbraw/zinc/95/42/89/544954289.db2.gz CGKAZPWMUMKVLQ-GFCCVEGCSA-N 2 2 280.372 0.427 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)N2C[C@H](C)O[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000251728684 544927565 /nfs/dbraw/zinc/92/75/65/544927565.db2.gz KHLQIVODNLHRNX-FQUUOJAGSA-N 2 2 283.416 0.681 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)N2C[C@H](C)O[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000251728684 544927569 /nfs/dbraw/zinc/92/75/69/544927569.db2.gz KHLQIVODNLHRNX-FQUUOJAGSA-N 2 2 283.416 0.681 20 0 CCADLP C[C@@H]1C[N@@H+](CCCNC(=O)CCc2c[nH+]c[nH]2)C[C@H](C)O1 ZINC000276694020 544956035 /nfs/dbraw/zinc/95/60/35/544956035.db2.gz XSRCYFPHJORDAX-BETUJISGSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@@H]1C[N@H+](CCCNC(=O)CCc2c[nH+]c[nH]2)C[C@H](C)O1 ZINC000276694020 544956040 /nfs/dbraw/zinc/95/60/40/544956040.db2.gz XSRCYFPHJORDAX-BETUJISGSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@@H]1C[N@@H+](CCCNC(=O)CCc2c[nH]c[nH+]2)C[C@H](C)O1 ZINC000276694020 544956046 /nfs/dbraw/zinc/95/60/46/544956046.db2.gz XSRCYFPHJORDAX-BETUJISGSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@@H]1C[N@H+](CCCNC(=O)CCc2c[nH]c[nH+]2)C[C@H](C)O1 ZINC000276694020 544956050 /nfs/dbraw/zinc/95/60/50/544956050.db2.gz XSRCYFPHJORDAX-BETUJISGSA-N 2 2 294.399 0.958 20 0 CCADLP CCC[N@@H+]1CC[C@H](CNC(=O)NCc2c[nH+]cn2C)C1 ZINC000290106423 544968698 /nfs/dbraw/zinc/96/86/98/544968698.db2.gz DHPQILXNTVCERU-GFCCVEGCSA-N 2 2 279.388 0.951 20 0 CCADLP CCC[N@H+]1CC[C@H](CNC(=O)NCc2c[nH+]cn2C)C1 ZINC000290106423 544968702 /nfs/dbraw/zinc/96/87/02/544968702.db2.gz DHPQILXNTVCERU-GFCCVEGCSA-N 2 2 279.388 0.951 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@@](C)(CO)c1ccccc1)C1CC1 ZINC000312355830 545013479 /nfs/dbraw/zinc/01/34/79/545013479.db2.gz KOBSRAWJEMOGRK-CVEARBPZSA-N 2 2 278.396 0.939 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@@](C)(CO)c1ccccc1)C1CC1 ZINC000312355830 545013480 /nfs/dbraw/zinc/01/34/80/545013480.db2.gz KOBSRAWJEMOGRK-CVEARBPZSA-N 2 2 278.396 0.939 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000314971129 545015223 /nfs/dbraw/zinc/01/52/23/545015223.db2.gz WOVZFXUNYOGYQY-ZDUSSCGKSA-N 3 2 252.362 0.402 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000314971129 545015224 /nfs/dbraw/zinc/01/52/24/545015224.db2.gz WOVZFXUNYOGYQY-ZDUSSCGKSA-N 3 2 252.362 0.402 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)CN(C)Cc2[nH+]ccn2C)C[C@H](C)O1 ZINC000348324804 545063604 /nfs/dbraw/zinc/06/36/04/545063604.db2.gz ZPYNNUWWJSYUGT-MJBXVCDLSA-N 2 2 296.415 0.322 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)CN(C)Cc2[nH+]ccn2C)C[C@H](C)O1 ZINC000348324804 545063606 /nfs/dbraw/zinc/06/36/06/545063606.db2.gz ZPYNNUWWJSYUGT-MJBXVCDLSA-N 2 2 296.415 0.322 20 0 CCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000423784768 533685092 /nfs/dbraw/zinc/68/50/92/533685092.db2.gz MURBFVZKUOJWSW-QWHCGFSZSA-N 2 2 297.399 0.224 20 0 CCADLP COc1cccc([C@@H](C)C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000518974385 265266301 /nfs/dbraw/zinc/26/63/01/265266301.db2.gz IEEQGUJIVZWMNH-TZMCWYRMSA-N 2 2 291.395 0.900 20 0 CCADLP COc1cccc([C@@H](C)C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000518974385 265266303 /nfs/dbraw/zinc/26/63/03/265266303.db2.gz IEEQGUJIVZWMNH-TZMCWYRMSA-N 2 2 291.395 0.900 20 0 CCADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)CC(N)=O)CCC2 ZINC000361672845 274824077 /nfs/dbraw/zinc/82/40/77/274824077.db2.gz SUZRRFQSUDMLBA-MWLCHTKSSA-N 2 2 250.346 0.922 20 0 CCADLP CC(C)C[C@@H](CO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000070143819 275587069 /nfs/dbraw/zinc/58/70/69/275587069.db2.gz LCPOXQSTUSOSPS-NSHDSACASA-N 2 2 254.378 0.983 20 0 CCADLP CCC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000450433193 276026571 /nfs/dbraw/zinc/02/65/71/276026571.db2.gz DGWOSWWTTLZWOX-ZIAGYGMSSA-N 2 2 256.390 0.802 20 0 CCADLP CCC[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000450433193 276026572 /nfs/dbraw/zinc/02/65/72/276026572.db2.gz DGWOSWWTTLZWOX-ZIAGYGMSSA-N 2 2 256.390 0.802 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262964355 276186281 /nfs/dbraw/zinc/18/62/81/276186281.db2.gz LBYWKVRQVMGICJ-UWVGGRQHSA-N 2 2 261.316 0.584 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262964355 276186282 /nfs/dbraw/zinc/18/62/82/276186282.db2.gz LBYWKVRQVMGICJ-UWVGGRQHSA-N 2 2 261.316 0.584 20 0 CCADLP CCN1CC[N@H+](CCc2c[nH+]cn2C)[C@@H](C)C1=O ZINC000459434004 276195493 /nfs/dbraw/zinc/19/54/93/276195493.db2.gz UAUORDLSDRHVEZ-NSHDSACASA-N 2 2 250.346 0.515 20 0 CCADLP CCN1CC[N@@H+](CCc2c[nH+]cn2C)[C@@H](C)C1=O ZINC000459434004 276195494 /nfs/dbraw/zinc/19/54/94/276195494.db2.gz UAUORDLSDRHVEZ-NSHDSACASA-N 2 2 250.346 0.515 20 0 CCADLP CC[N@@H+]1CC[C@@H]2OCCN(CC[NH+]3CCO[C@H](C)C3)[C@@H]2C1 ZINC000339389784 276219668 /nfs/dbraw/zinc/21/96/68/276219668.db2.gz ASASBGYPJRHLKC-OAGGEKHMSA-N 2 2 297.443 0.502 20 0 CCADLP CC[N@H+]1CC[C@@H]2OCCN(CC[NH+]3CCO[C@H](C)C3)[C@@H]2C1 ZINC000339389784 276219670 /nfs/dbraw/zinc/21/96/70/276219670.db2.gz ASASBGYPJRHLKC-OAGGEKHMSA-N 2 2 297.443 0.502 20 0 CCADLP CC[NH+]1CC[C@@H]2OCCN(CC[N@@H+]3CCO[C@H](C)C3)[C@@H]2C1 ZINC000339389784 276219672 /nfs/dbraw/zinc/21/96/72/276219672.db2.gz ASASBGYPJRHLKC-OAGGEKHMSA-N 2 2 297.443 0.502 20 0 CCADLP CC[NH+]1CC[C@@H]2OCCN(CC[N@H+]3CCO[C@H](C)C3)[C@@H]2C1 ZINC000339389784 276219675 /nfs/dbraw/zinc/21/96/75/276219675.db2.gz ASASBGYPJRHLKC-OAGGEKHMSA-N 2 2 297.443 0.502 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC[C@@H](C)[NH3+] ZINC000422792523 276235308 /nfs/dbraw/zinc/23/53/08/276235308.db2.gz ZIYMLCASXCQKDW-VXGBXAGGSA-N 2 2 257.378 0.341 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC[C@@H](C)[NH3+] ZINC000422792523 276235309 /nfs/dbraw/zinc/23/53/09/276235309.db2.gz ZIYMLCASXCQKDW-VXGBXAGGSA-N 2 2 257.378 0.341 20 0 CCADLP CC[N@@H+]1CCc2nc(NC(=O)[C@@H]3C[NH2+]CCO3)sc2C1 ZINC000163447388 276237114 /nfs/dbraw/zinc/23/71/14/276237114.db2.gz CAGPLBAHSNEFLI-JTQLQIEISA-N 2 2 296.396 0.448 20 0 CCADLP CC[N@H+]1CCc2nc(NC(=O)[C@@H]3C[NH2+]CCO3)sc2C1 ZINC000163447388 276237117 /nfs/dbraw/zinc/23/71/17/276237117.db2.gz CAGPLBAHSNEFLI-JTQLQIEISA-N 2 2 296.396 0.448 20 0 CCADLP CCNC(=O)C1(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)CCC1 ZINC000363002620 276256013 /nfs/dbraw/zinc/25/60/13/276256013.db2.gz WWPZDXSEITYIIX-NEPJUHHUSA-N 2 2 253.390 0.833 20 0 CCADLP CCNC(=O)C1(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CCC1 ZINC000363002620 276256014 /nfs/dbraw/zinc/25/60/14/276256014.db2.gz WWPZDXSEITYIIX-NEPJUHHUSA-N 2 2 253.390 0.833 20 0 CCADLP CC[NH2+]CCNC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000418326145 276265564 /nfs/dbraw/zinc/26/55/64/276265564.db2.gz NHEWGFISOAUVLQ-GFCCVEGCSA-N 2 2 294.403 0.407 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@H](O)C2)CC1 ZINC000357575093 276381664 /nfs/dbraw/zinc/38/16/64/276381664.db2.gz WLTULCWTLXHPPA-HZSPNIEDSA-N 2 2 283.416 0.242 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@H](O)C2)CC1 ZINC000357575093 276381666 /nfs/dbraw/zinc/38/16/66/276381666.db2.gz WLTULCWTLXHPPA-HZSPNIEDSA-N 2 2 283.416 0.242 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(C)ncn3)C2)CC1 ZINC000292375636 276386797 /nfs/dbraw/zinc/38/67/97/276386797.db2.gz GZZUJBNVFRQDJK-MRXNPFEDSA-N 2 2 289.427 0.997 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(C)ncn3)C2)CC1 ZINC000292375636 276386798 /nfs/dbraw/zinc/38/67/98/276386798.db2.gz GZZUJBNVFRQDJK-MRXNPFEDSA-N 2 2 289.427 0.997 20 0 CCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)CC[C@H]21 ZINC000262999577 277066995 /nfs/dbraw/zinc/06/69/95/277066995.db2.gz OPMKHNCWDZLSPN-GRYCIOLGSA-N 2 2 287.354 0.926 20 0 CCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)CC[C@H]21 ZINC000262999577 277066996 /nfs/dbraw/zinc/06/69/96/277066996.db2.gz OPMKHNCWDZLSPN-GRYCIOLGSA-N 2 2 287.354 0.926 20 0 CCADLP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000451586674 277084587 /nfs/dbraw/zinc/08/45/87/277084587.db2.gz IUBGXZROPWNAQG-OLZOCXBDSA-N 2 2 297.399 0.082 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000019438437 277094687 /nfs/dbraw/zinc/09/46/87/277094687.db2.gz NNYDEHRXMWPPEF-AWEZNQCLSA-N 2 2 259.353 0.475 20 0 CCADLP CC(C)(O)CC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000367318206 277312916 /nfs/dbraw/zinc/31/29/16/277312916.db2.gz DTMAIEHVEUZEMT-ZDUSSCGKSA-N 2 2 283.416 0.562 20 0 CCADLP CC(C)(O)CC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000367318206 277312918 /nfs/dbraw/zinc/31/29/18/277312918.db2.gz DTMAIEHVEUZEMT-ZDUSSCGKSA-N 2 2 283.416 0.562 20 0 CCADLP CO[C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370836787 277321528 /nfs/dbraw/zinc/32/15/28/277321528.db2.gz BJNKSAGZGQVSRO-OCCSQVGLSA-N 2 2 283.416 0.648 20 0 CCADLP CO[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370836787 277321529 /nfs/dbraw/zinc/32/15/29/277321529.db2.gz BJNKSAGZGQVSRO-OCCSQVGLSA-N 2 2 283.416 0.648 20 0 CCADLP COC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375904124 277321630 /nfs/dbraw/zinc/32/16/30/277321630.db2.gz JPBKLJIIJJDQSZ-ZDUSSCGKSA-N 2 2 269.389 0.260 20 0 CCADLP COC(=O)C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375904124 277321631 /nfs/dbraw/zinc/32/16/31/277321631.db2.gz JPBKLJIIJJDQSZ-ZDUSSCGKSA-N 2 2 269.389 0.260 20 0 CCADLP COc1cccc(CC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)n1 ZINC000423011422 278009408 /nfs/dbraw/zinc/00/94/08/278009408.db2.gz ZOFWUQTWCTXSBO-GOEBONIOSA-N 2 2 291.395 0.989 20 0 CCADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000346182849 278082525 /nfs/dbraw/zinc/08/25/25/278082525.db2.gz JQHFOTBMOMZSHP-HZSPNIEDSA-N 2 2 281.400 0.402 20 0 CCADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000346182849 278082528 /nfs/dbraw/zinc/08/25/28/278082528.db2.gz JQHFOTBMOMZSHP-HZSPNIEDSA-N 2 2 281.400 0.402 20 0 CCADLP C[C@H](C(=O)NCC[N@H+](C)C1CCCC1)[NH+]1CCOCC1 ZINC000355212949 278151481 /nfs/dbraw/zinc/15/14/81/278151481.db2.gz VXCQLDNLRWGDLD-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@H](C(=O)NCC[N@@H+](C)C1CCCC1)[NH+]1CCOCC1 ZINC000355212949 278151483 /nfs/dbraw/zinc/15/14/83/278151483.db2.gz VXCQLDNLRWGDLD-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420349787 278191917 /nfs/dbraw/zinc/19/19/17/278191917.db2.gz DUFHLYRULCDCMV-JSGCOSHPSA-N 2 2 291.395 0.606 20 0 CCADLP C[C@@H](C(=O)N1CCCc2ccccc21)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420349787 278191918 /nfs/dbraw/zinc/19/19/18/278191918.db2.gz DUFHLYRULCDCMV-JSGCOSHPSA-N 2 2 291.395 0.606 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1(S(C)(=O)=O)CCCC1 ZINC000423110199 278373634 /nfs/dbraw/zinc/37/36/34/278373634.db2.gz OUTUJOCDUAWVIU-NWDGAFQWSA-N 2 2 274.430 0.931 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC000279115082 278396918 /nfs/dbraw/zinc/39/69/18/278396918.db2.gz CKEDCLOTWPRHKE-VXGBXAGGSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC000279115082 278396920 /nfs/dbraw/zinc/39/69/20/278396920.db2.gz CKEDCLOTWPRHKE-VXGBXAGGSA-N 2 2 280.372 0.256 20 0 CCADLP CC(C)(CNC(=O)C12CCC[NH+]1CCC2)[NH+]1CCOCC1 ZINC000373917647 278613288 /nfs/dbraw/zinc/61/32/88/278613288.db2.gz YRGHKJWBVHSUMK-UHFFFAOYSA-N 2 2 295.427 0.842 20 0 CCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000336498813 288069089 /nfs/dbraw/zinc/06/90/89/288069089.db2.gz MYHJCTNFEJAICV-ZJUUUORDSA-N 2 2 261.316 0.394 20 0 CCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000336498813 288069092 /nfs/dbraw/zinc/06/90/92/288069092.db2.gz MYHJCTNFEJAICV-ZJUUUORDSA-N 2 2 261.316 0.394 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000362818197 288084991 /nfs/dbraw/zinc/08/49/91/288084991.db2.gz SFDAJZIRLWWAMI-RDBSUJKOSA-N 2 2 281.400 0.117 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000362818197 288084995 /nfs/dbraw/zinc/08/49/95/288084995.db2.gz SFDAJZIRLWWAMI-RDBSUJKOSA-N 2 2 281.400 0.117 20 0 CCADLP CC[N@H+](CC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C)C1CC1 ZINC000376217148 279052385 /nfs/dbraw/zinc/05/23/85/279052385.db2.gz CSFWEEOAILOLEQ-ZFWWWQNUSA-N 2 2 295.427 0.792 20 0 CCADLP CC[N@@H+](CC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C)C1CC1 ZINC000376217148 279052388 /nfs/dbraw/zinc/05/23/88/279052388.db2.gz CSFWEEOAILOLEQ-ZFWWWQNUSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@]1(O)CC[NH+](C)C1 ZINC000358250868 288107183 /nfs/dbraw/zinc/10/71/83/288107183.db2.gz LPRUMUVWTCQPRR-SYQHCUMBSA-N 3 2 255.406 0.371 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@]1(O)CC[NH+](C)C1 ZINC000358250868 288107184 /nfs/dbraw/zinc/10/71/84/288107184.db2.gz LPRUMUVWTCQPRR-SYQHCUMBSA-N 3 2 255.406 0.371 20 0 CCADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358250868 288107185 /nfs/dbraw/zinc/10/71/85/288107185.db2.gz LPRUMUVWTCQPRR-SYQHCUMBSA-N 3 2 255.406 0.371 20 0 CCADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358250868 288107187 /nfs/dbraw/zinc/10/71/87/288107187.db2.gz LPRUMUVWTCQPRR-SYQHCUMBSA-N 3 2 255.406 0.371 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C[NH2+]C)C2)CC1 ZINC000430612800 279259522 /nfs/dbraw/zinc/25/95/22/279259522.db2.gz SVDMEOBAVRYDDY-AWEZNQCLSA-N 3 2 296.459 0.518 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](C[NH2+]C)C2)CC1 ZINC000430612800 279259523 /nfs/dbraw/zinc/25/95/23/279259523.db2.gz SVDMEOBAVRYDDY-AWEZNQCLSA-N 3 2 296.459 0.518 20 0 CCADLP CCN1CC[NH+](CCCC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422861495 279356318 /nfs/dbraw/zinc/35/63/18/279356318.db2.gz MTRIJHIKCNHHFE-HZPDHXFCSA-N 3 2 282.476 0.992 20 0 CCADLP CC[NH+]1CCN(CCCC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422861495 279356319 /nfs/dbraw/zinc/35/63/19/279356319.db2.gz MTRIJHIKCNHHFE-HZPDHXFCSA-N 3 2 282.476 0.992 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)C[C@@H](C)O1 ZINC000514597437 288198690 /nfs/dbraw/zinc/19/86/90/288198690.db2.gz QPEJPVDFQOGWEM-SJJUBHFPSA-N 2 2 298.427 0.614 20 0 CCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N(C)CC(F)(F)F ZINC000430598755 280107222 /nfs/dbraw/zinc/10/72/22/280107222.db2.gz OXCVEHMWLSKNOC-SNVBAGLBSA-N 2 2 269.311 0.970 20 0 CCADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000456367433 281163571 /nfs/dbraw/zinc/16/35/71/281163571.db2.gz DNTVKTLNFDGVBK-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000456367433 281163574 /nfs/dbraw/zinc/16/35/74/281163574.db2.gz DNTVKTLNFDGVBK-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@H]1C[NH+](CC)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000456367433 281163578 /nfs/dbraw/zinc/16/35/78/281163578.db2.gz DNTVKTLNFDGVBK-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@H]1C[NH+](CC)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000456367433 281163581 /nfs/dbraw/zinc/16/35/81/281163581.db2.gz DNTVKTLNFDGVBK-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP Cc1cccc2nc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc(=O)n12 ZINC000420314861 281317635 /nfs/dbraw/zinc/31/76/35/281317635.db2.gz RAORQEKVDMOSQW-BETUJISGSA-N 2 2 284.363 0.654 20 0 CCADLP Cc1cccc2nc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc(=O)n12 ZINC000420314861 281317637 /nfs/dbraw/zinc/31/76/37/281317637.db2.gz RAORQEKVDMOSQW-BETUJISGSA-N 2 2 284.363 0.654 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCN1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366534782 288345558 /nfs/dbraw/zinc/34/55/58/288345558.db2.gz LXAAZZFCBGXFDF-HUUCEWRRSA-N 2 2 267.417 0.735 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCN1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366534782 288345559 /nfs/dbraw/zinc/34/55/59/288345559.db2.gz LXAAZZFCBGXFDF-HUUCEWRRSA-N 2 2 267.417 0.735 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366534782 288345562 /nfs/dbraw/zinc/34/55/62/288345562.db2.gz LXAAZZFCBGXFDF-HUUCEWRRSA-N 2 2 267.417 0.735 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366534782 288345563 /nfs/dbraw/zinc/34/55/63/288345563.db2.gz LXAAZZFCBGXFDF-HUUCEWRRSA-N 2 2 267.417 0.735 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000249635736 288345980 /nfs/dbraw/zinc/34/59/80/288345980.db2.gz WLUZYXLVZSDJLA-RRFJBIMHSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000249635736 288345982 /nfs/dbraw/zinc/34/59/82/288345982.db2.gz WLUZYXLVZSDJLA-RRFJBIMHSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCN1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC000249635736 288345987 /nfs/dbraw/zinc/34/59/87/288345987.db2.gz WLUZYXLVZSDJLA-RRFJBIMHSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCN1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC000249635736 288345992 /nfs/dbraw/zinc/34/59/92/288345992.db2.gz WLUZYXLVZSDJLA-RRFJBIMHSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1[C@H](C)N(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)CC[N@H+]1C ZINC000343582274 289014227 /nfs/dbraw/zinc/01/42/27/289014227.db2.gz KOCVPZYGOAYBJR-BARDWOONSA-N 2 2 267.417 0.874 20 0 CCADLP C[C@@H]1[C@H](C)N(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)CC[N@@H+]1C ZINC000343582274 289014229 /nfs/dbraw/zinc/01/42/29/289014229.db2.gz KOCVPZYGOAYBJR-BARDWOONSA-N 2 2 267.417 0.874 20 0 CCADLP C[C@@H]1[C@H](C)N(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH+]1C ZINC000343582274 289014231 /nfs/dbraw/zinc/01/42/31/289014231.db2.gz KOCVPZYGOAYBJR-BARDWOONSA-N 2 2 267.417 0.874 20 0 CCADLP C[C@@H]1[C@H](C)N(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH+]1C ZINC000343582274 289014233 /nfs/dbraw/zinc/01/42/33/289014233.db2.gz KOCVPZYGOAYBJR-BARDWOONSA-N 2 2 267.417 0.874 20 0 CCADLP C[NH+](C)Cc1cnc(C[N@H+](C)CCC(N)=O)s1 ZINC000348832355 289226783 /nfs/dbraw/zinc/22/67/83/289226783.db2.gz IIJXFSQMEKXQLP-UHFFFAOYSA-N 2 2 256.375 0.512 20 0 CCADLP C[NH+](C)Cc1cnc(C[N@@H+](C)CCC(N)=O)s1 ZINC000348832355 289226784 /nfs/dbraw/zinc/22/67/84/289226784.db2.gz IIJXFSQMEKXQLP-UHFFFAOYSA-N 2 2 256.375 0.512 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)CC[C@@H]1C)[NH+]1CCSCC1 ZINC000335316247 289284414 /nfs/dbraw/zinc/28/44/14/289284414.db2.gz HNJILCRWGSIIMC-QWHCGFSZSA-N 2 2 285.457 0.976 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)CC[C@@H]1C)[NH+]1CCSCC1 ZINC000335316247 289284415 /nfs/dbraw/zinc/28/44/15/289284415.db2.gz HNJILCRWGSIIMC-QWHCGFSZSA-N 2 2 285.457 0.976 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC(=O)NCC1CC1 ZINC000371294107 289334196 /nfs/dbraw/zinc/33/41/96/289334196.db2.gz JBTMASCGIDYQPL-ILXRZTDVSA-N 2 2 295.427 0.696 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC(=O)NCC1CC1 ZINC000371294107 289334199 /nfs/dbraw/zinc/33/41/99/289334199.db2.gz JBTMASCGIDYQPL-ILXRZTDVSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@H](CN1CCCC1=O)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000070143692 289557873 /nfs/dbraw/zinc/55/78/73/289557873.db2.gz MEFAGNDANHMOSJ-LLVKDONJSA-N 2 2 279.388 0.587 20 0 CCADLP C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000346977525 290209518 /nfs/dbraw/zinc/20/95/18/290209518.db2.gz KXVMCUMLFSKVKT-WOPDTQHZSA-N 2 2 262.419 0.739 20 0 CCADLP C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000346977525 290209522 /nfs/dbraw/zinc/20/95/22/290209522.db2.gz KXVMCUMLFSKVKT-WOPDTQHZSA-N 2 2 262.419 0.739 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)[C@H]2CCC[C@@H]21 ZINC000423492004 290219833 /nfs/dbraw/zinc/21/98/33/290219833.db2.gz LCZSMTSUWULDRG-XGUBFFRZSA-N 3 2 267.417 0.827 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)[C@H]2CCC[C@@H]21 ZINC000423492004 290219835 /nfs/dbraw/zinc/21/98/35/290219835.db2.gz LCZSMTSUWULDRG-XGUBFFRZSA-N 3 2 267.417 0.827 20 0 CCADLP COC[C@H](CCC[NH3+])[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000422824802 293095987 /nfs/dbraw/zinc/09/59/87/293095987.db2.gz OLLZWQNQVBASMZ-STQMWFEESA-N 3 2 275.462 0.767 20 0 CCADLP CO[C@@]1(C)CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336793219 294131084 /nfs/dbraw/zinc/13/10/84/294131084.db2.gz VVDGYWYQJBWSNU-KBPBESRZSA-N 2 2 256.390 0.942 20 0 CCADLP CO[C@@]1(C)CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336793219 294131089 /nfs/dbraw/zinc/13/10/89/294131089.db2.gz VVDGYWYQJBWSNU-KBPBESRZSA-N 2 2 256.390 0.942 20 0 CCADLP CO[C@@]1(C)CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000336793219 294131090 /nfs/dbraw/zinc/13/10/90/294131090.db2.gz VVDGYWYQJBWSNU-KBPBESRZSA-N 2 2 256.390 0.942 20 0 CCADLP CO[C@@]1(C)CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336793219 294131094 /nfs/dbraw/zinc/13/10/94/294131094.db2.gz VVDGYWYQJBWSNU-KBPBESRZSA-N 2 2 256.390 0.942 20 0 CCADLP NC(=O)NC(=O)CCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266690804 295067409 /nfs/dbraw/zinc/06/74/09/295067409.db2.gz APMVGFSHIFTJFT-UHFFFAOYSA-N 2 2 279.344 0.564 20 0 CCADLP COc1cccc(CC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)n1 ZINC000423011424 295294140 /nfs/dbraw/zinc/29/41/40/295294140.db2.gz ZOFWUQTWCTXSBO-ZBFHGGJFSA-N 2 2 291.395 0.989 20 0 CCADLP C[C@@H]1C[C@@H]([NH+](C)CCS(=O)(=O)N(C)C)CC[N@@H+]1C ZINC000336785917 297258971 /nfs/dbraw/zinc/25/89/71/297258971.db2.gz GLNKHBJHEZAHJU-NEPJUHHUSA-N 2 2 277.434 0.292 20 0 CCADLP C[C@@H]1C[C@@H]([NH+](C)CCS(=O)(=O)N(C)C)CC[N@H+]1C ZINC000336785917 297258975 /nfs/dbraw/zinc/25/89/75/297258975.db2.gz GLNKHBJHEZAHJU-NEPJUHHUSA-N 2 2 277.434 0.292 20 0 CCADLP C[C@@H]1C[C@@H]([N@H+](C)CCS(=O)(=O)N(C)C)CC[NH+]1C ZINC000336785917 297258977 /nfs/dbraw/zinc/25/89/77/297258977.db2.gz GLNKHBJHEZAHJU-NEPJUHHUSA-N 2 2 277.434 0.292 20 0 CCADLP C[C@@H]1C[C@@H]([N@@H+](C)CCS(=O)(=O)N(C)C)CC[NH+]1C ZINC000336785917 297258979 /nfs/dbraw/zinc/25/89/79/297258979.db2.gz GLNKHBJHEZAHJU-NEPJUHHUSA-N 2 2 277.434 0.292 20 0 CCADLP CO[C@]1(CO)CCC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000401720095 545089925 /nfs/dbraw/zinc/08/99/25/545089925.db2.gz NBRBPSXQTGPVGT-CYBMUJFWSA-N 2 2 253.346 0.665 20 0 CCADLP CO[C@]1(CO)CCC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000401720095 545089926 /nfs/dbraw/zinc/08/99/26/545089926.db2.gz NBRBPSXQTGPVGT-CYBMUJFWSA-N 2 2 253.346 0.665 20 0 CCADLP CO[C@@]1(CO)CCC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000401720097 545089944 /nfs/dbraw/zinc/08/99/44/545089944.db2.gz NBRBPSXQTGPVGT-ZDUSSCGKSA-N 2 2 253.346 0.665 20 0 CCADLP CO[C@@]1(CO)CCC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000401720097 545089945 /nfs/dbraw/zinc/08/99/45/545089945.db2.gz NBRBPSXQTGPVGT-ZDUSSCGKSA-N 2 2 253.346 0.665 20 0 CCADLP CO[C@]1(CO)CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000401791354 545090371 /nfs/dbraw/zinc/09/03/71/545090371.db2.gz HGLZJFMPLZOMLZ-ZIAGYGMSSA-N 2 2 274.405 0.161 20 0 CCADLP CO[C@]1(CO)CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000401791354 545090372 /nfs/dbraw/zinc/09/03/72/545090372.db2.gz HGLZJFMPLZOMLZ-ZIAGYGMSSA-N 2 2 274.405 0.161 20 0 CCADLP CO[C@]1(CO)CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000401791354 545090373 /nfs/dbraw/zinc/09/03/73/545090373.db2.gz HGLZJFMPLZOMLZ-ZIAGYGMSSA-N 2 2 274.405 0.161 20 0 CCADLP CO[C@]1(CO)CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000401791354 545090374 /nfs/dbraw/zinc/09/03/74/545090374.db2.gz HGLZJFMPLZOMLZ-ZIAGYGMSSA-N 2 2 274.405 0.161 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418568325 298629338 /nfs/dbraw/zinc/62/93/38/298629338.db2.gz BIYVPQWULVQVPD-MCIONIFRSA-N 2 2 298.431 0.618 20 0 CCADLP Cn1c[nH+]cc1CN1CC[NH2+]C[C@H]1c1ccncc1 ZINC000261948462 303027152 /nfs/dbraw/zinc/02/71/52/303027152.db2.gz FRHGKNZPIBURRR-AWEZNQCLSA-N 2 2 257.341 0.962 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3ccccc3F)CCN2C1=O ZINC000580903382 328064704 /nfs/dbraw/zinc/06/47/04/328064704.db2.gz SIDKETHMKWHCOJ-YPMHNXCESA-N 2 2 263.316 0.570 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000582794799 329211639 /nfs/dbraw/zinc/21/16/39/329211639.db2.gz RCMABJLMMDNDHY-CHWSQXEVSA-N 2 2 286.420 0.035 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000582794799 329211640 /nfs/dbraw/zinc/21/16/40/329211640.db2.gz RCMABJLMMDNDHY-CHWSQXEVSA-N 2 2 286.420 0.035 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000582794799 329211641 /nfs/dbraw/zinc/21/16/41/329211641.db2.gz RCMABJLMMDNDHY-CHWSQXEVSA-N 2 2 286.420 0.035 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CC[NH+](C)C2)CCO1 ZINC000582801436 329217735 /nfs/dbraw/zinc/21/77/35/329217735.db2.gz UPNBMBNCHUWDRO-CHWSQXEVSA-N 2 2 269.389 0.165 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CC[NH+](C)C2)CCO1 ZINC000582801436 329217737 /nfs/dbraw/zinc/21/77/37/329217737.db2.gz UPNBMBNCHUWDRO-CHWSQXEVSA-N 2 2 269.389 0.165 20 0 CCADLP CC[C@@H]1C[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC000582801436 329217738 /nfs/dbraw/zinc/21/77/38/329217738.db2.gz UPNBMBNCHUWDRO-CHWSQXEVSA-N 2 2 269.389 0.165 20 0 CCADLP CC[C@@H]1C[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC000582801436 329217740 /nfs/dbraw/zinc/21/77/40/329217740.db2.gz UPNBMBNCHUWDRO-CHWSQXEVSA-N 2 2 269.389 0.165 20 0 CCADLP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CC([NH3+])C1 ZINC000576586935 327035824 /nfs/dbraw/zinc/03/58/24/327035824.db2.gz BNXULORMTQZPTG-UHFFFAOYSA-N 3 2 280.416 0.151 20 0 CCADLP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CC([NH3+])C1 ZINC000576586935 327035827 /nfs/dbraw/zinc/03/58/27/327035827.db2.gz BNXULORMTQZPTG-UHFFFAOYSA-N 3 2 280.416 0.151 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H](C)CCCC[NH3+] ZINC000576941820 327051423 /nfs/dbraw/zinc/05/14/23/327051423.db2.gz LWVYZBWQNLUYSR-LBPRGKRZSA-N 2 2 286.420 0.077 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H](C)CCCC[NH3+] ZINC000576941820 327051424 /nfs/dbraw/zinc/05/14/24/327051424.db2.gz LWVYZBWQNLUYSR-LBPRGKRZSA-N 2 2 286.420 0.077 20 0 CCADLP Cc1c[nH+]c(C)nc1NCCC[NH+]1CCOCC1 ZINC000584241954 327125707 /nfs/dbraw/zinc/12/57/07/327125707.db2.gz AUKYQPXQQWZDKU-UHFFFAOYSA-N 2 2 250.346 0.650 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)[C@@H](C)[NH+]2CC(C)C2)CCO1 ZINC000574099566 327289734 /nfs/dbraw/zinc/28/97/34/327289734.db2.gz WSLNMNPHINMRTL-ZIAGYGMSSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)[C@@H](C)[NH+]2CC(C)C2)CCO1 ZINC000574099566 327289735 /nfs/dbraw/zinc/28/97/35/327289735.db2.gz WSLNMNPHINMRTL-ZIAGYGMSSA-N 2 2 283.416 0.554 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000583389189 327339413 /nfs/dbraw/zinc/33/94/13/327339413.db2.gz DZNYUIVXFSQJKH-LBPRGKRZSA-N 2 2 285.413 0.719 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000583389189 327339414 /nfs/dbraw/zinc/33/94/14/327339414.db2.gz DZNYUIVXFSQJKH-LBPRGKRZSA-N 2 2 285.413 0.719 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCCn1cc[nH+]c1C ZINC000583425940 327358100 /nfs/dbraw/zinc/35/81/00/327358100.db2.gz VJPDVMYAGRYAHF-CYBMUJFWSA-N 2 2 279.388 0.927 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCCn1cc[nH+]c1C ZINC000583425940 327358101 /nfs/dbraw/zinc/35/81/01/327358101.db2.gz VJPDVMYAGRYAHF-CYBMUJFWSA-N 2 2 279.388 0.927 20 0 CCADLP COCCOC[C@H](O)C[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000583435736 327362164 /nfs/dbraw/zinc/36/21/64/327362164.db2.gz BFWLZYOZOMEPPZ-ZIAGYGMSSA-N 2 2 297.399 0.682 20 0 CCADLP C[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000579511441 327381906 /nfs/dbraw/zinc/38/19/06/327381906.db2.gz XALOHDWOYQLWBV-AWEZNQCLSA-N 2 2 262.357 0.827 20 0 CCADLP C[N@H+]1CCC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000579511441 327381907 /nfs/dbraw/zinc/38/19/07/327381907.db2.gz XALOHDWOYQLWBV-AWEZNQCLSA-N 2 2 262.357 0.827 20 0 CCADLP CC[C@@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000575320971 327476355 /nfs/dbraw/zinc/47/63/55/327476355.db2.gz PCMAPRSOJFFLBX-UTUOFQBUSA-N 2 2 275.418 0.141 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCc1c[nH+]c(C)nc1N ZINC000583566801 328616509 /nfs/dbraw/zinc/61/65/09/328616509.db2.gz WGVSGKHTBSWODV-UHFFFAOYSA-N 2 2 260.301 0.019 20 0 CCADLP CCn1cc[nH+]c1CN(CC(N)=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000583631556 328723039 /nfs/dbraw/zinc/72/30/39/328723039.db2.gz GXAOQJSJQHQKPS-GFCCVEGCSA-N 2 2 291.399 0.332 20 0 CCADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NC(=O)NCC(F)(F)F ZINC000583701078 329093162 /nfs/dbraw/zinc/09/31/62/329093162.db2.gz CACHJZYPNHOVJM-YUMQZZPRSA-N 2 2 296.293 0.186 20 0 CCADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NC(=O)NCC(F)(F)F ZINC000583701078 329093164 /nfs/dbraw/zinc/09/31/64/329093164.db2.gz CACHJZYPNHOVJM-YUMQZZPRSA-N 2 2 296.293 0.186 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1cccc(F)c1F ZINC000582713721 329129433 /nfs/dbraw/zinc/12/94/33/329129433.db2.gz ORZDVDADGCKAMK-LLVKDONJSA-N 2 2 255.312 0.958 20 0 CCADLP C[C@@H](COc1ccccc1)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000582784390 329189909 /nfs/dbraw/zinc/18/99/09/329189909.db2.gz INOVXGJTQPKATM-KBPBESRZSA-N 2 2 291.395 0.803 20 0 CCADLP C[C@@H](COc1ccccc1)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000582784390 329189910 /nfs/dbraw/zinc/18/99/10/329189910.db2.gz INOVXGJTQPKATM-KBPBESRZSA-N 2 2 291.395 0.803 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000582794799 329211638 /nfs/dbraw/zinc/21/16/38/329211638.db2.gz RCMABJLMMDNDHY-CHWSQXEVSA-N 2 2 286.420 0.035 20 0 CCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@H]1CC[NH2+]C1 ZINC000583036186 329306010 /nfs/dbraw/zinc/30/60/10/329306010.db2.gz BSSDJOXXGVTCHI-NSHDSACASA-N 2 2 277.372 0.723 20 0 CCADLP C[C@@H](C(=O)N[C@@H]1CCn2cc[nH+]c2C1)[NH+]1CCSCC1 ZINC000333008819 334843707 /nfs/dbraw/zinc/84/37/07/334843707.db2.gz MOGAGRHDWRUIGN-NWDGAFQWSA-N 2 2 294.424 0.751 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCC[NH+]1CCCCC1 ZINC000575858530 335124132 /nfs/dbraw/zinc/12/41/32/335124132.db2.gz NHHTXQXHMVUPPU-UHFFFAOYSA-N 2 2 264.373 0.955 20 0 CCADLP C[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)CC[S@]1=O ZINC000575878343 335127371 /nfs/dbraw/zinc/12/73/71/335127371.db2.gz HQUWZRKSSHSWGJ-PIGZYNQJSA-N 2 2 255.387 0.806 20 0 CCADLP C[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)CC[S@]1=O ZINC000575878343 335127372 /nfs/dbraw/zinc/12/73/72/335127372.db2.gz HQUWZRKSSHSWGJ-PIGZYNQJSA-N 2 2 255.387 0.806 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000576834940 335254024 /nfs/dbraw/zinc/25/40/24/335254024.db2.gz WWKRGOQEVHVZCW-JKSUJKDBSA-N 2 2 299.459 0.343 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000576834940 335254025 /nfs/dbraw/zinc/25/40/25/335254025.db2.gz WWKRGOQEVHVZCW-JKSUJKDBSA-N 2 2 299.459 0.343 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000576834940 335254026 /nfs/dbraw/zinc/25/40/26/335254026.db2.gz WWKRGOQEVHVZCW-JKSUJKDBSA-N 2 2 299.459 0.343 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000576834940 335254027 /nfs/dbraw/zinc/25/40/27/335254027.db2.gz WWKRGOQEVHVZCW-JKSUJKDBSA-N 2 2 299.459 0.343 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)Cc1c[nH+]cn1C ZINC000577015984 335282493 /nfs/dbraw/zinc/28/24/93/335282493.db2.gz FCCFUKCOUMPELJ-GHMZBOCLSA-N 2 2 250.346 0.514 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)Cc1c[nH+]cn1C ZINC000577015984 335282495 /nfs/dbraw/zinc/28/24/95/335282495.db2.gz FCCFUKCOUMPELJ-GHMZBOCLSA-N 2 2 250.346 0.514 20 0 CCADLP Cc1nccnc1CC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000577276303 335333745 /nfs/dbraw/zinc/33/37/45/335333745.db2.gz GHPFBOUOUYODLG-UHFFFAOYSA-N 2 2 274.372 0.917 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)CC(F)(F)C[NH3+])CCO1 ZINC000577287856 335335859 /nfs/dbraw/zinc/33/58/59/335335859.db2.gz HNQDPEXKNFCTBM-UHFFFAOYSA-N 2 2 279.331 0.198 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)CC(F)(F)C[NH3+])CCO1 ZINC000577287856 335335861 /nfs/dbraw/zinc/33/58/61/335335861.db2.gz HNQDPEXKNFCTBM-UHFFFAOYSA-N 2 2 279.331 0.198 20 0 CCADLP Cc1ccccc1[C@H](C[NH+]1CCOCC1)NC1C[NH2+]C1 ZINC000577363084 335342733 /nfs/dbraw/zinc/34/27/33/335342733.db2.gz MZVUYLWOASIPGD-INIZCTEOSA-N 2 2 275.396 0.930 20 0 CCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000577571208 335370501 /nfs/dbraw/zinc/37/05/01/335370501.db2.gz KQWAUJTXSZENHE-SNVBAGLBSA-N 2 2 263.345 0.199 20 0 CCADLP CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000577741595 335395050 /nfs/dbraw/zinc/39/50/50/335395050.db2.gz REWFXEUVBOIVCL-SCRDCRAPSA-N 2 2 284.400 0.905 20 0 CCADLP CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000577741595 335395051 /nfs/dbraw/zinc/39/50/51/335395051.db2.gz REWFXEUVBOIVCL-SCRDCRAPSA-N 2 2 284.400 0.905 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2cscn2)C[C@@H](C)[NH2+]1 ZINC000577840949 335409365 /nfs/dbraw/zinc/40/93/65/335409365.db2.gz RCFQTDNNRJZYJE-MRTMQBJTSA-N 2 2 254.359 0.352 20 0 CCADLP O[C@@H](C[NH2+]CCCNc1cccc[nH+]1)CN1CCOCC1 ZINC000577842144 335409618 /nfs/dbraw/zinc/40/96/18/335409618.db2.gz KSHFQQVGQAUGTH-AWEZNQCLSA-N 2 2 294.399 0.166 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)C1CC[NH+](C)CC1 ZINC000578247336 335592367 /nfs/dbraw/zinc/59/23/67/335592367.db2.gz RTGJDAZLDZMXJU-UHFFFAOYSA-N 2 2 250.346 0.861 20 0 CCADLP CCOCC[NH+]1CCN(c2nc[nH+]c(N)c2OC)CC1 ZINC000578786506 335675243 /nfs/dbraw/zinc/67/52/43/335675243.db2.gz MBUSZBCFKBDUHA-UHFFFAOYSA-N 2 2 281.360 0.226 20 0 CCADLP CCc1cc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)nc(C)[nH+]1 ZINC000579860717 335911714 /nfs/dbraw/zinc/91/17/14/335911714.db2.gz PSMLANGIFRFGRM-NWDGAFQWSA-N 2 2 275.356 0.096 20 0 CCADLP C[C@@H](C[NH3+])C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000579942750 335932792 /nfs/dbraw/zinc/93/27/92/335932792.db2.gz AOODQYUMOAORSO-JTQLQIEISA-N 2 2 250.346 0.773 20 0 CCADLP CCO[C@H](CC[NH+](C)C)CNC(=O)Cn1cc[nH+]c1 ZINC000580748363 335961890 /nfs/dbraw/zinc/96/18/90/335961890.db2.gz AUQDFEZFTZAVRR-GFCCVEGCSA-N 2 2 268.361 0.356 20 0 CCADLP C[N@@H+]1CCN(Cc2ccc3c[nH]nc3c2)[C@@H](C[NH3+])C1 ZINC000581131151 336012786 /nfs/dbraw/zinc/01/27/86/336012786.db2.gz AELOZHABFLPEHI-ZDUSSCGKSA-N 2 2 259.357 0.638 20 0 CCADLP C[N@H+]1CCN(Cc2ccc3c[nH]nc3c2)[C@@H](C[NH3+])C1 ZINC000581131151 336012787 /nfs/dbraw/zinc/01/27/87/336012787.db2.gz AELOZHABFLPEHI-ZDUSSCGKSA-N 2 2 259.357 0.638 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](CCO)C1CCCCC1 ZINC000380692557 336017956 /nfs/dbraw/zinc/01/79/56/336017956.db2.gz MCAQEQFOYVXKTO-OAHLLOKOSA-N 2 2 288.432 0.553 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](CCO)C1CCCCC1 ZINC000380692557 336017958 /nfs/dbraw/zinc/01/79/58/336017958.db2.gz MCAQEQFOYVXKTO-OAHLLOKOSA-N 2 2 288.432 0.553 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](CCO)C1CCCCC1 ZINC000380692557 336017959 /nfs/dbraw/zinc/01/79/59/336017959.db2.gz MCAQEQFOYVXKTO-OAHLLOKOSA-N 2 2 288.432 0.553 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](CCO)C1CCCCC1 ZINC000380692557 336017961 /nfs/dbraw/zinc/01/79/61/336017961.db2.gz MCAQEQFOYVXKTO-OAHLLOKOSA-N 2 2 288.432 0.553 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](SC)C1 ZINC000382939717 336099044 /nfs/dbraw/zinc/09/90/44/336099044.db2.gz MLQTWPHKTJGRJG-VXGBXAGGSA-N 2 2 262.419 0.363 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](SC)C1 ZINC000382939717 336099046 /nfs/dbraw/zinc/09/90/46/336099046.db2.gz MLQTWPHKTJGRJG-VXGBXAGGSA-N 2 2 262.419 0.363 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](SC)C1 ZINC000382939717 336099047 /nfs/dbraw/zinc/09/90/47/336099047.db2.gz MLQTWPHKTJGRJG-VXGBXAGGSA-N 2 2 262.419 0.363 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](SC)C1 ZINC000382939717 336099048 /nfs/dbraw/zinc/09/90/48/336099048.db2.gz MLQTWPHKTJGRJG-VXGBXAGGSA-N 2 2 262.419 0.363 20 0 CCADLP C[C@@H](C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)S(C)(=O)=O ZINC000581742476 336141418 /nfs/dbraw/zinc/14/14/18/336141418.db2.gz BFOGTFFYGITRDB-WYUUTHIRSA-N 2 2 262.419 0.738 20 0 CCADLP C[C@@H](C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)S(C)(=O)=O ZINC000581742476 336141419 /nfs/dbraw/zinc/14/14/19/336141419.db2.gz BFOGTFFYGITRDB-WYUUTHIRSA-N 2 2 262.419 0.738 20 0 CCADLP CC[C@H](C(=O)OC)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000581832116 336149553 /nfs/dbraw/zinc/14/95/53/336149553.db2.gz UVJGWOJLTUTEDL-SNVBAGLBSA-N 2 2 252.318 0.483 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000386345263 336171241 /nfs/dbraw/zinc/17/12/41/336171241.db2.gz MEJOTVXOXRDZCR-WCQYABFASA-N 3 2 252.362 0.316 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000386345263 336171243 /nfs/dbraw/zinc/17/12/43/336171243.db2.gz MEJOTVXOXRDZCR-WCQYABFASA-N 3 2 252.362 0.316 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)c1conc1C(C)(C)[NH3+] ZINC000582013724 336192222 /nfs/dbraw/zinc/19/22/22/336192222.db2.gz VALCLCKENCNLEP-VIFPVBQESA-N 2 2 277.328 0.883 20 0 CCADLP C[NH2+]CCN(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000417080322 545093833 /nfs/dbraw/zinc/09/38/33/545093833.db2.gz ONOBIGCTHRTVJN-UHFFFAOYSA-N 2 2 265.361 0.744 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000449115105 533799120 /nfs/dbraw/zinc/79/91/20/533799120.db2.gz KRJKWKKXEUUSOE-NSHDSACASA-N 2 2 269.389 0.354 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000449115105 533799136 /nfs/dbraw/zinc/79/91/36/533799136.db2.gz KRJKWKKXEUUSOE-NSHDSACASA-N 2 2 269.389 0.354 20 0 CCADLP C[C@@H]1C[C@H](CO)C[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425367993 533884093 /nfs/dbraw/zinc/88/40/93/533884093.db2.gz JHWDHPCKSCHDFM-NEPJUHHUSA-N 2 2 266.389 0.936 20 0 CCADLP C[C@@H]1C[C@H](CO)C[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425367993 533884099 /nfs/dbraw/zinc/88/40/99/533884099.db2.gz JHWDHPCKSCHDFM-NEPJUHHUSA-N 2 2 266.389 0.936 20 0 CCADLP CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)[C@H](C)C1 ZINC000341775238 535615620 /nfs/dbraw/zinc/61/56/20/535615620.db2.gz IIWYUZSHRPOYQH-OLZOCXBDSA-N 2 2 285.457 0.976 20 0 CCADLP CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)[C@H](C)C1 ZINC000341775238 535615626 /nfs/dbraw/zinc/61/56/26/535615626.db2.gz IIWYUZSHRPOYQH-OLZOCXBDSA-N 2 2 285.457 0.976 20 0 CCADLP CS[C@H](CO)[C@H](C)[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422973771 534081154 /nfs/dbraw/zinc/08/11/54/534081154.db2.gz CQWYXEHYROHANL-FTYKPCCVSA-N 2 2 274.430 0.455 20 0 CCADLP C[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449384985 534270655 /nfs/dbraw/zinc/27/06/55/534270655.db2.gz DBRDKYGRRXACFR-KBPBESRZSA-N 2 2 266.389 0.708 20 0 CCADLP C[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449384985 534270658 /nfs/dbraw/zinc/27/06/58/534270658.db2.gz DBRDKYGRRXACFR-KBPBESRZSA-N 2 2 266.389 0.708 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000070944632 517436617 /nfs/dbraw/zinc/43/66/17/517436617.db2.gz NQRQTCUWSQSNMK-UHFFFAOYSA-N 2 2 271.405 0.554 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000070944632 517436623 /nfs/dbraw/zinc/43/66/23/517436623.db2.gz NQRQTCUWSQSNMK-UHFFFAOYSA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@H](Cn1cncn1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000516939590 536136795 /nfs/dbraw/zinc/13/67/95/536136795.db2.gz GVZKPJDUHBNQIK-CHWSQXEVSA-N 2 2 251.378 0.988 20 0 CCADLP CC[C@H](Cn1cncn1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000516939590 536136800 /nfs/dbraw/zinc/13/68/00/536136800.db2.gz GVZKPJDUHBNQIK-CHWSQXEVSA-N 2 2 251.378 0.988 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCNC(=O)C1CCC1 ZINC000358408123 534439946 /nfs/dbraw/zinc/43/99/46/534439946.db2.gz VBDLQZQLTOSIRU-YPMHNXCESA-N 2 2 253.390 0.833 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCNC(=O)C1CCC1 ZINC000358408123 534439953 /nfs/dbraw/zinc/43/99/53/534439953.db2.gz VBDLQZQLTOSIRU-YPMHNXCESA-N 2 2 253.390 0.833 20 0 CCADLP [NH3+]CC(F)(F)CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000418525788 534576953 /nfs/dbraw/zinc/57/69/53/534576953.db2.gz PVJGGSRAPHNPGJ-SECBINFHSA-N 2 2 287.314 0.893 20 0 CCADLP COC[C@@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000364736535 522423039 /nfs/dbraw/zinc/42/30/39/522423039.db2.gz DVBVCOLREDILQU-KBMXLJTQSA-N 2 2 293.411 0.889 20 0 CCADLP COC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000364736535 522423049 /nfs/dbraw/zinc/42/30/49/522423049.db2.gz DVBVCOLREDILQU-KBMXLJTQSA-N 2 2 293.411 0.889 20 0 CCADLP COC(=O)C(C)(C)N1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262045895 522798673 /nfs/dbraw/zinc/79/86/73/522798673.db2.gz PQQVUEUJQRGSOS-HNNXBMFYSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H]1CC[N@H+](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000530286283 545101783 /nfs/dbraw/zinc/10/17/83/545101783.db2.gz KGDUEQSISOXJOE-LLVKDONJSA-N 2 2 250.346 0.800 20 0 CCADLP C[C@@H]1CC[N@@H+](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000530286283 545101784 /nfs/dbraw/zinc/10/17/84/545101784.db2.gz KGDUEQSISOXJOE-LLVKDONJSA-N 2 2 250.346 0.800 20 0 CCADLP C[C@@H]1CC[N@H+](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000530286283 545101785 /nfs/dbraw/zinc/10/17/85/545101785.db2.gz KGDUEQSISOXJOE-LLVKDONJSA-N 2 2 250.346 0.800 20 0 CCADLP C[C@@H]1CC[N@@H+](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000530286283 545101786 /nfs/dbraw/zinc/10/17/86/545101786.db2.gz KGDUEQSISOXJOE-LLVKDONJSA-N 2 2 250.346 0.800 20 0 CCADLP COC(=O)[C@]12C[N@H+](CCCn3cc[nH+]c3)C[C@H]1COCC2 ZINC000373795173 524020411 /nfs/dbraw/zinc/02/04/11/524020411.db2.gz CLONZIFCUCRKNJ-DZGCQCFKSA-N 2 2 293.367 0.785 20 0 CCADLP COC(=O)[C@]12C[N@@H+](CCCn3cc[nH+]c3)C[C@H]1COCC2 ZINC000373795173 524020416 /nfs/dbraw/zinc/02/04/16/524020416.db2.gz CLONZIFCUCRKNJ-DZGCQCFKSA-N 2 2 293.367 0.785 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@H](C)[C@@H](C)[NH3+])CC2)cc[nH+]1 ZINC000423777235 534755164 /nfs/dbraw/zinc/75/51/64/534755164.db2.gz FTGCQEXTGIYAFT-GHMZBOCLSA-N 2 2 277.372 0.417 20 0 CCADLP Cc1cc(C)c(C(N)=O)c(-n2cc[nH+]c2CC[NH3+])n1 ZINC000052304559 524244023 /nfs/dbraw/zinc/24/40/23/524244023.db2.gz QTFDGIMRMBLDAM-UHFFFAOYSA-N 2 2 259.313 0.484 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000365189119 524850788 /nfs/dbraw/zinc/85/07/88/524850788.db2.gz JRACCUBHEQRVNV-QWRGUYRKSA-N 2 2 264.373 0.861 20 0 CCADLP CS(=O)(=O)NCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000363451220 525191520 /nfs/dbraw/zinc/19/15/20/525191520.db2.gz XAHKXABWIUEGDA-UHFFFAOYSA-N 2 2 272.374 0.138 20 0 CCADLP CN(CC[C@H]1CCCC[NH+]1C)C(=O)[C@@H]1COCC[N@H+]1C ZINC000345209193 536406176 /nfs/dbraw/zinc/40/61/76/536406176.db2.gz LAEHCZQRUMGWHQ-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@@H](CN1CC[NH+](C)CC1)Nc1nc[nH+]c2c1OCCN2 ZINC000665700180 545103799 /nfs/dbraw/zinc/10/37/99/545103799.db2.gz WBAMTCQGPDRRIB-NSHDSACASA-N 2 2 292.387 0.329 20 0 CCADLP C[C@H]1CN(c2nc[nH+]c3c2OCCN3)C[C@@H]1[NH+](C)C ZINC000665706089 545104146 /nfs/dbraw/zinc/10/41/46/545104146.db2.gz QLVFOVMCMUNUPA-UWVGGRQHSA-N 2 2 263.345 0.667 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)NC(C)(C)C[NH+]2CCCC2)C1 ZINC000457052464 536440172 /nfs/dbraw/zinc/44/01/72/536440172.db2.gz OKKABCUHNQDPCJ-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)NC(C)(C)C[NH+]2CCCC2)C1 ZINC000457052464 536440174 /nfs/dbraw/zinc/44/01/74/536440174.db2.gz OKKABCUHNQDPCJ-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP Cc1cnc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)o1 ZINC000666225809 545116566 /nfs/dbraw/zinc/11/65/66/545116566.db2.gz LNVYGWJJJSTBSX-UHFFFAOYSA-N 2 2 283.376 0.988 20 0 CCADLP Cc1cnc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)o1 ZINC000666225809 545116567 /nfs/dbraw/zinc/11/65/67/545116567.db2.gz LNVYGWJJJSTBSX-UHFFFAOYSA-N 2 2 283.376 0.988 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H](CO)CC2CC2)n1C ZINC000666293482 545119309 /nfs/dbraw/zinc/11/93/09/545119309.db2.gz YVZPRMKCHFOACK-LLVKDONJSA-N 2 2 252.362 0.737 20 0 CCADLP C[N@H+]1CCN(C(=O)Nc2ccc3c(c2)CCO3)[C@@H](C[NH3+])C1 ZINC000666779494 545130977 /nfs/dbraw/zinc/13/09/77/545130977.db2.gz RWVSYGNGSLEAKN-ZDUSSCGKSA-N 2 2 290.367 0.728 20 0 CCADLP COCC[NH2+]CC[NH2+]Cc1ccc(C(=O)NC2CC2)cc1 ZINC000666823116 545132013 /nfs/dbraw/zinc/13/20/13/545132013.db2.gz NTKNRKLYGXQBLV-UHFFFAOYSA-N 2 2 291.395 0.904 20 0 CCADLP [NH3+]C1(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CC1 ZINC000353520050 527128604 /nfs/dbraw/zinc/12/86/04/527128604.db2.gz CVYCAFLWFWAOJX-UHFFFAOYSA-N 2 2 276.340 0.026 20 0 CCADLP O=S(=O)(CC1CC[NH2+]CC1)Nc1cc[nH+]cc1 ZINC000049632205 527167627 /nfs/dbraw/zinc/16/76/27/527167627.db2.gz UIXJOKGSALOUBA-UHFFFAOYSA-N 2 2 255.343 0.823 20 0 CCADLP C[N@H+]1CCN(C(=O)Nc2ccc(C3CC3)nn2)[C@@H](C[NH3+])C1 ZINC000667219668 545141401 /nfs/dbraw/zinc/14/14/01/545141401.db2.gz ZWIJKIPQDHHBBW-NSHDSACASA-N 2 2 290.371 0.461 20 0 CCADLP C[C@H](O)C[NH+]1CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000667595541 545150602 /nfs/dbraw/zinc/15/06/02/545150602.db2.gz JCBQDSIKIVIHBY-LBPRGKRZSA-N 2 2 264.373 0.328 20 0 CCADLP Cc1[nH+]cc(CN2CC[C@H](C[NH+]3CCOCC3)C2)n1C ZINC000667670752 545153494 /nfs/dbraw/zinc/15/34/94/545153494.db2.gz YFODXPMQLLWJDX-CQSZACIVSA-N 2 2 278.400 0.883 20 0 CCADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](C(=O)N(C)C)C2)n1C ZINC000668238335 545169176 /nfs/dbraw/zinc/16/91/76/545169176.db2.gz OJLLSDATXKBALQ-NSHDSACASA-N 2 2 250.346 0.639 20 0 CCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](C(=O)N(C)C)C2)n1C ZINC000668238335 545169177 /nfs/dbraw/zinc/16/91/77/545169177.db2.gz OJLLSDATXKBALQ-NSHDSACASA-N 2 2 250.346 0.639 20 0 CCADLP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000668588655 545183107 /nfs/dbraw/zinc/18/31/07/545183107.db2.gz NJHKKZPEPZAKPC-DZGCQCFKSA-N 2 2 288.395 0.998 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)CC1 ZINC000668640517 545184976 /nfs/dbraw/zinc/18/49/76/545184976.db2.gz TXOLFYRQSNKIKT-SPWCGHHHSA-N 2 2 293.411 0.164 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)CC1 ZINC000668640517 545184977 /nfs/dbraw/zinc/18/49/77/545184977.db2.gz TXOLFYRQSNKIKT-SPWCGHHHSA-N 2 2 293.411 0.164 20 0 CCADLP C[NH+](C)CCN1CCC(CNC(=O)C2([NH+](C)C)CC2)CC1 ZINC000668691119 545187687 /nfs/dbraw/zinc/18/76/87/545187687.db2.gz FHVPLNHALFPBPC-UHFFFAOYSA-N 2 2 296.459 0.470 20 0 CCADLP C[C@H](O)C1([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000668699371 545188266 /nfs/dbraw/zinc/18/82/66/545188266.db2.gz BRCQHHVSPBTAIZ-AAEUAGOBSA-N 2 2 254.374 0.743 20 0 CCADLP Cc1ccc([C@H](C)NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])o1 ZINC000668709459 545188425 /nfs/dbraw/zinc/18/84/25/545188425.db2.gz RIKUYAZASCWGCA-NWDGAFQWSA-N 2 2 280.372 0.933 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCCC[NH2+]C1 ZINC000423556746 527912930 /nfs/dbraw/zinc/91/29/30/527912930.db2.gz MNGFIJJEISENIT-IJLUTSLNSA-N 2 2 255.362 0.012 20 0 CCADLP C[C@H](CNC(=O)C1([NH+](C)C)CC1)C[NH+]1CCOCC1 ZINC000669003697 545197389 /nfs/dbraw/zinc/19/73/89/545197389.db2.gz FPTJPLIJTPUBDZ-GFCCVEGCSA-N 2 2 269.389 0.165 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](O)C2CCOCC2)C1 ZINC000358170911 527973873 /nfs/dbraw/zinc/97/38/73/527973873.db2.gz QZVBROJQEBVHEX-YUTCNCBUSA-N 2 2 256.390 0.704 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](O)C2CCOCC2)C1 ZINC000358170911 527973877 /nfs/dbraw/zinc/97/38/77/527973877.db2.gz QZVBROJQEBVHEX-YUTCNCBUSA-N 2 2 256.390 0.704 20 0 CCADLP CC1=CC[N@H+](CCNc2nc(C)[nH+]c(N(C)C)n2)CC1 ZINC000358315583 528114402 /nfs/dbraw/zinc/11/44/02/528114402.db2.gz WXHKOUOAYFJIFV-UHFFFAOYSA-N 2 2 276.388 0.732 20 0 CCADLP CC1=CC[N@@H+](CCNc2nc(C)[nH+]c(N(C)C)n2)CC1 ZINC000358315583 528114407 /nfs/dbraw/zinc/11/44/07/528114407.db2.gz WXHKOUOAYFJIFV-UHFFFAOYSA-N 2 2 276.388 0.732 20 0 CCADLP CC1=CC[N@H+](CCNc2cc(NC[C@@H](C)O)[nH+]cn2)CC1 ZINC000413234345 528119005 /nfs/dbraw/zinc/11/90/05/528119005.db2.gz PBZCSMBHLWMXQX-CYBMUJFWSA-N 2 2 291.399 0.755 20 0 CCADLP CC1=CC[N@@H+](CCNc2cc(NC[C@@H](C)O)[nH+]cn2)CC1 ZINC000413234345 528119010 /nfs/dbraw/zinc/11/90/10/528119010.db2.gz PBZCSMBHLWMXQX-CYBMUJFWSA-N 2 2 291.399 0.755 20 0 CCADLP CCC[C@H]([NH3+])C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000423779963 528163875 /nfs/dbraw/zinc/16/38/75/528163875.db2.gz IVGNWQVTGSWMGW-LBPRGKRZSA-N 2 2 277.372 0.561 20 0 CCADLP C[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C1CCC1 ZINC000669545013 545214211 /nfs/dbraw/zinc/21/42/11/545214211.db2.gz VKCHYXCOHQZTMV-PWSUYJOCSA-N 2 2 254.378 0.459 20 0 CCADLP C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C1CCC1 ZINC000669545013 545214212 /nfs/dbraw/zinc/21/42/12/545214212.db2.gz VKCHYXCOHQZTMV-PWSUYJOCSA-N 2 2 254.378 0.459 20 0 CCADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])[C@@H]1CCCCO1 ZINC000669553738 545214492 /nfs/dbraw/zinc/21/44/92/545214492.db2.gz XZWJZUASEJLFDE-AVGNSLFASA-N 2 2 284.404 0.228 20 0 CCADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])[C@@H]1CCCCO1 ZINC000669553738 545214493 /nfs/dbraw/zinc/21/44/93/545214493.db2.gz XZWJZUASEJLFDE-AVGNSLFASA-N 2 2 284.404 0.228 20 0 CCADLP O=C(C[N@H+]1CC[C@@](F)(CO)C1)NC1CC[NH+](C2CC2)CC1 ZINC000670111426 545229005 /nfs/dbraw/zinc/22/90/05/545229005.db2.gz YHQPVPBBBZDCPD-HNNXBMFYSA-N 2 2 299.390 0.136 20 0 CCADLP O=C(C[N@@H+]1CC[C@@](F)(CO)C1)NC1CC[NH+](C2CC2)CC1 ZINC000670111426 545229006 /nfs/dbraw/zinc/22/90/06/545229006.db2.gz YHQPVPBBBZDCPD-HNNXBMFYSA-N 2 2 299.390 0.136 20 0 CCADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000669931587 545223785 /nfs/dbraw/zinc/22/37/85/545223785.db2.gz HWFUKHHPSHQCRR-HNNXBMFYSA-N 3 2 296.459 0.613 20 0 CCADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000669931587 545223786 /nfs/dbraw/zinc/22/37/86/545223786.db2.gz HWFUKHHPSHQCRR-HNNXBMFYSA-N 3 2 296.459 0.613 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423646204 528475396 /nfs/dbraw/zinc/47/53/96/528475396.db2.gz UDSVTGPPZJEMCG-RRFJBIMHSA-N 2 2 295.427 0.555 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423646204 528475403 /nfs/dbraw/zinc/47/54/03/528475403.db2.gz UDSVTGPPZJEMCG-RRFJBIMHSA-N 2 2 295.427 0.555 20 0 CCADLP CCC[NH2+]CCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000418484648 528491420 /nfs/dbraw/zinc/49/14/20/528491420.db2.gz ZEPBQKSHJKFEDC-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000449086900 528540571 /nfs/dbraw/zinc/54/05/71/528540571.db2.gz DQSWERZXUMTJQM-NEPJUHHUSA-N 2 2 257.378 0.211 20 0 CCADLP CC[C@@H](C(N)=O)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986178 545241303 /nfs/dbraw/zinc/24/13/03/545241303.db2.gz QILHIQMEDBAHEL-STQMWFEESA-N 2 2 269.389 0.437 20 0 CCADLP CC[C@@H](C(N)=O)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986178 545241304 /nfs/dbraw/zinc/24/13/04/545241304.db2.gz QILHIQMEDBAHEL-STQMWFEESA-N 2 2 269.389 0.437 20 0 CCADLP CCOC(=O)CCC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000358470258 528698196 /nfs/dbraw/zinc/69/81/96/528698196.db2.gz PVXYMVFEFDNFBD-UHFFFAOYSA-N 2 2 280.372 0.871 20 0 CCADLP CCOC(=O)C[N@@H+]1CCCN(C(=O)/C=C\C[NH+](C)C)CC1 ZINC000492061906 528807644 /nfs/dbraw/zinc/80/76/44/528807644.db2.gz YQKFZGZUIGDMJH-ALCCZGGFSA-N 2 2 297.399 0.202 20 0 CCADLP CCOC(=O)C[N@H+]1CCCN(C(=O)/C=C\C[NH+](C)C)CC1 ZINC000492061906 528807647 /nfs/dbraw/zinc/80/76/47/528807647.db2.gz YQKFZGZUIGDMJH-ALCCZGGFSA-N 2 2 297.399 0.202 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]Cc2nnnn2C2CC2)[C@H]2CCC[C@@H]21 ZINC000671752820 545259164 /nfs/dbraw/zinc/25/91/64/545259164.db2.gz YDEXWAAITRRRRG-AGIUHOORSA-N 2 2 276.388 0.970 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]Cc2nnnn2C2CC2)[C@H]2CCC[C@@H]21 ZINC000671752820 545259165 /nfs/dbraw/zinc/25/91/65/545259165.db2.gz YDEXWAAITRRRRG-AGIUHOORSA-N 2 2 276.388 0.970 20 0 CCADLP CC1(C)C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CO1 ZINC000417907024 529139309 /nfs/dbraw/zinc/13/93/09/529139309.db2.gz GLFHSIXCLZQXJI-NEPJUHHUSA-N 2 2 269.389 0.483 20 0 CCADLP CC1(C)C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CO1 ZINC000417907024 529139310 /nfs/dbraw/zinc/13/93/10/529139310.db2.gz GLFHSIXCLZQXJI-NEPJUHHUSA-N 2 2 269.389 0.483 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000423780770 529249092 /nfs/dbraw/zinc/24/90/92/529249092.db2.gz KBFDZRWZZZYDOL-FZMZJTMJSA-N 2 2 291.399 0.807 20 0 CCADLP CC[C@@H](C(=O)NCCn1cc[nH+]c1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000448695643 529283715 /nfs/dbraw/zinc/28/37/15/529283715.db2.gz ZGFZSOLDHZIODK-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP CC[C@@H](C(=O)NCCn1cc[nH+]c1)[N@H+]1CCO[C@@H](CC)C1 ZINC000448695643 529283718 /nfs/dbraw/zinc/28/37/18/529283718.db2.gz ZGFZSOLDHZIODK-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+](Cc2ccncc2)CC1)[NH+](C)C ZINC000674244091 545301171 /nfs/dbraw/zinc/30/11/71/545301171.db2.gz CRTBECWVCNNYKU-ZDUSSCGKSA-N 2 2 276.384 0.676 20 0 CCADLP C[C@@H](C(=O)NCc1c[nH+]c(N(C)C)n1C)[NH+](C)C ZINC000674289540 545303317 /nfs/dbraw/zinc/30/33/17/545303317.db2.gz JRLHEJGIMXJXTH-VIFPVBQESA-N 2 2 253.350 0.052 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357079440 535276575 /nfs/dbraw/zinc/27/65/75/535276575.db2.gz SNOSVOMMNHKEFP-QJPTWQEYSA-N 2 2 282.388 0.150 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357079440 535276578 /nfs/dbraw/zinc/27/65/78/535276578.db2.gz SNOSVOMMNHKEFP-QJPTWQEYSA-N 2 2 282.388 0.150 20 0 CCADLP CCC[NH+]1CCC(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263070157 535355204 /nfs/dbraw/zinc/35/52/04/535355204.db2.gz WLSKCDXHOAPUBC-NSHDSACASA-N 2 2 275.343 0.974 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000675886220 545332200 /nfs/dbraw/zinc/33/22/00/545332200.db2.gz BTZOGKFFAMQPNS-KBPBESRZSA-N 2 2 271.405 0.017 20 0 CCADLP C1=C(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)COCC1 ZINC000676239616 545337670 /nfs/dbraw/zinc/33/76/70/545337670.db2.gz JUTSRMIMMJFGIT-INIZCTEOSA-N 2 2 295.427 0.329 20 0 CCADLP C[C@H](CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)[NH+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000676249380 545338459 /nfs/dbraw/zinc/33/84/59/545338459.db2.gz DHUMWRWKJCISMR-LJIZCISZSA-N 4 2 278.444 0.067 20 0 CCADLP C[C@H](CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)[NH+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000676249380 545338460 /nfs/dbraw/zinc/33/84/60/545338460.db2.gz DHUMWRWKJCISMR-LJIZCISZSA-N 4 2 278.444 0.067 20 0 CCADLP C[C@H](CC[NH+]1C[C@H]2C[NH2+]C[C@H]2C1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000676249380 545338461 /nfs/dbraw/zinc/33/84/61/545338461.db2.gz DHUMWRWKJCISMR-LJIZCISZSA-N 4 2 278.444 0.067 20 0 CCADLP C[C@H](CC[NH+]1C[C@H]2C[NH2+]C[C@H]2C1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000676249380 545338462 /nfs/dbraw/zinc/33/84/62/545338462.db2.gz DHUMWRWKJCISMR-LJIZCISZSA-N 4 2 278.444 0.067 20 0 CCADLP CCOCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000368351682 535538358 /nfs/dbraw/zinc/53/83/58/535538358.db2.gz JPTURKXEGWAQSE-GDBMZVCRSA-N 2 2 297.443 0.945 20 0 CCADLP CCOCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000368351682 535538364 /nfs/dbraw/zinc/53/83/64/535538364.db2.gz JPTURKXEGWAQSE-GDBMZVCRSA-N 2 2 297.443 0.945 20 0 CCADLP CCOCCCNC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000368351682 535538366 /nfs/dbraw/zinc/53/83/66/535538366.db2.gz JPTURKXEGWAQSE-GDBMZVCRSA-N 2 2 297.443 0.945 20 0 CCADLP CCOCCCNC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000368351682 535538372 /nfs/dbraw/zinc/53/83/72/535538372.db2.gz JPTURKXEGWAQSE-GDBMZVCRSA-N 2 2 297.443 0.945 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676388047 545342751 /nfs/dbraw/zinc/34/27/51/545342751.db2.gz ISTRCTXFDMSYDI-QLFBSQMISA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676388047 545342752 /nfs/dbraw/zinc/34/27/52/545342752.db2.gz ISTRCTXFDMSYDI-QLFBSQMISA-N 2 2 295.427 0.792 20 0 CCADLP CC[N@@H+]1CCN(C(=O)C[NH+](C)[C@H]2CCSC2)[C@H](C)C1 ZINC000341775238 535615610 /nfs/dbraw/zinc/61/56/10/535615610.db2.gz IIWYUZSHRPOYQH-OLZOCXBDSA-N 2 2 285.457 0.976 20 0 CCADLP CC[N@H+]1CCN(C(=O)C[NH+](C)[C@H]2CCSC2)[C@H](C)C1 ZINC000341775238 535615615 /nfs/dbraw/zinc/61/56/15/535615615.db2.gz IIWYUZSHRPOYQH-OLZOCXBDSA-N 2 2 285.457 0.976 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1[nH]nc2ccccc21 ZINC000676908025 545355107 /nfs/dbraw/zinc/35/51/07/545355107.db2.gz QBBHNVMJNYYRLT-AWEZNQCLSA-N 2 2 262.357 0.965 20 0 CCADLP C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000676694725 545348928 /nfs/dbraw/zinc/34/89/28/545348928.db2.gz AYSSIWDUPMYJPB-NWDGAFQWSA-N 2 2 262.357 0.656 20 0 CCADLP C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000676694725 545348929 /nfs/dbraw/zinc/34/89/29/545348929.db2.gz AYSSIWDUPMYJPB-NWDGAFQWSA-N 2 2 262.357 0.656 20 0 CCADLP CCOC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000250478137 535679251 /nfs/dbraw/zinc/67/92/51/535679251.db2.gz SIZNXMRSJOIPKP-CHWSQXEVSA-N 2 2 297.399 0.130 20 0 CCADLP CCOC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000250478137 535679255 /nfs/dbraw/zinc/67/92/55/535679255.db2.gz SIZNXMRSJOIPKP-CHWSQXEVSA-N 2 2 297.399 0.130 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)C1 ZINC000356998324 535763405 /nfs/dbraw/zinc/76/34/05/535763405.db2.gz NZSUUXRPKFWQEA-RYUDHWBXSA-N 2 2 280.372 0.944 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H](c2[nH]cc[nH+]2)C(C)C)C1 ZINC000356998324 535763409 /nfs/dbraw/zinc/76/34/09/535763409.db2.gz NZSUUXRPKFWQEA-RYUDHWBXSA-N 2 2 280.372 0.944 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC000677195531 545360498 /nfs/dbraw/zinc/36/04/98/545360498.db2.gz ODPYRONAAMFTQY-LSDHHAIUSA-N 2 2 296.459 0.565 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC000677195531 545360499 /nfs/dbraw/zinc/36/04/99/545360499.db2.gz ODPYRONAAMFTQY-LSDHHAIUSA-N 2 2 296.459 0.565 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCCC[NH+](C)C)C1 ZINC000677380462 545364309 /nfs/dbraw/zinc/36/43/09/545364309.db2.gz HITSKOWSKHYEDZ-GFCCVEGCSA-N 2 2 279.388 0.871 20 0 CCADLP Cc1[nH+]ccn1CCN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000677981408 545379477 /nfs/dbraw/zinc/37/94/77/545379477.db2.gz CCRBQRYNRFRKDG-HNNXBMFYSA-N 2 2 278.400 0.988 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000678714898 545396612 /nfs/dbraw/zinc/39/66/12/545396612.db2.gz XXZVFBYCRIVYIA-JKSUJKDBSA-N 2 2 297.443 0.504 20 0 CCADLP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1COCC[NH+]1C ZINC000345209193 536406168 /nfs/dbraw/zinc/40/61/68/536406168.db2.gz LAEHCZQRUMGWHQ-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@@H]1COCC[NH+]1C ZINC000345209193 536406171 /nfs/dbraw/zinc/40/61/71/536406171.db2.gz LAEHCZQRUMGWHQ-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CN(CC[C@H]1CCCC[NH+]1C)C(=O)[C@@H]1COCC[N@@H+]1C ZINC000345209193 536406173 /nfs/dbraw/zinc/40/61/73/536406173.db2.gz LAEHCZQRUMGWHQ-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP C[N@H+](C[C@@H](O)C(C)(C)C)C1CC[NH+](CCO)CC1 ZINC000343988716 536414979 /nfs/dbraw/zinc/41/49/79/536414979.db2.gz YXGOQJHHRDNOJJ-CYBMUJFWSA-N 2 2 258.406 0.782 20 0 CCADLP C[N@@H+](C[C@@H](O)C(C)(C)C)C1CC[NH+](CCO)CC1 ZINC000343988716 536414983 /nfs/dbraw/zinc/41/49/83/536414983.db2.gz YXGOQJHHRDNOJJ-CYBMUJFWSA-N 2 2 258.406 0.782 20 0 CCADLP C[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)C[C@H]1F ZINC000679183148 545403306 /nfs/dbraw/zinc/40/33/06/545403306.db2.gz NYQSYSHLRXGKBZ-IJLUTSLNSA-N 2 2 285.363 0.355 20 0 CCADLP COC[C@@H](CO)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000353633116 536637497 /nfs/dbraw/zinc/63/74/97/536637497.db2.gz WHRYBYBMYAOOMH-OAHLLOKOSA-N 2 2 279.384 0.643 20 0 CCADLP COC[C@@H]([NH3+])C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000262360560 536656741 /nfs/dbraw/zinc/65/67/41/536656741.db2.gz VMDUUWRLFRYHCN-CYBMUJFWSA-N 2 2 297.424 0.409 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2nc3c(s2)CCC3)C1 ZINC000680815259 545434998 /nfs/dbraw/zinc/43/49/98/545434998.db2.gz MCYKHXORWZZCCI-CYBMUJFWSA-N 2 2 267.398 0.788 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2nc3c(s2)CCC3)C1 ZINC000680815259 545434999 /nfs/dbraw/zinc/43/49/99/545434999.db2.gz MCYKHXORWZZCCI-CYBMUJFWSA-N 2 2 267.398 0.788 20 0 CCADLP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)C(F)(F)F)CC2)C1 ZINC000680866158 545436776 /nfs/dbraw/zinc/43/67/76/545436776.db2.gz MYVYRHRADRMXOJ-RYUDHWBXSA-N 2 2 295.349 0.621 20 0 CCADLP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)C(F)(F)F)CC2)C1 ZINC000680866158 545436777 /nfs/dbraw/zinc/43/67/77/545436777.db2.gz MYVYRHRADRMXOJ-RYUDHWBXSA-N 2 2 295.349 0.621 20 0 CCADLP COC1CC[NH+](CC[NH2+][C@H](C)Cn2cccn2)CC1 ZINC000681119576 545443278 /nfs/dbraw/zinc/44/32/78/545443278.db2.gz CRTCAPBOVUQZNY-CYBMUJFWSA-N 2 2 266.389 0.972 20 0 CCADLP C[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000681654154 545458896 /nfs/dbraw/zinc/45/88/96/545458896.db2.gz AZZJJCGIPCAXEO-NWDGAFQWSA-N 2 2 277.372 0.591 20 0 CCADLP C[N@H+]1CCC[C@@H](NC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000681654154 545458897 /nfs/dbraw/zinc/45/88/97/545458897.db2.gz AZZJJCGIPCAXEO-NWDGAFQWSA-N 2 2 277.372 0.591 20 0 CCADLP O=C(NCC[NH+]1CCSCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000682500277 545480847 /nfs/dbraw/zinc/48/08/47/545480847.db2.gz QYLIBZMKMMBMBZ-LBPRGKRZSA-N 2 2 294.424 0.611 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@@H]1C ZINC000682516081 545481836 /nfs/dbraw/zinc/48/18/36/545481836.db2.gz IOIZHMNQFJXPBY-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@@H]1C ZINC000682516081 545481837 /nfs/dbraw/zinc/48/18/37/545481837.db2.gz IOIZHMNQFJXPBY-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP Cn1c[nH+]c(CN2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000683898680 545579460 /nfs/dbraw/zinc/57/94/60/545579460.db2.gz RORQWSRLNKBZAM-UHFFFAOYSA-N 2 2 252.362 0.309 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000684437094 545670116 /nfs/dbraw/zinc/67/01/16/545670116.db2.gz PPVXKVBHWLZFIT-CYBMUJFWSA-N 2 2 262.357 0.943 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000684437094 545670119 /nfs/dbraw/zinc/67/01/19/545670119.db2.gz PPVXKVBHWLZFIT-CYBMUJFWSA-N 2 2 262.357 0.943 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000684437094 545670123 /nfs/dbraw/zinc/67/01/23/545670123.db2.gz PPVXKVBHWLZFIT-CYBMUJFWSA-N 2 2 262.357 0.943 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000684437094 545670125 /nfs/dbraw/zinc/67/01/25/545670125.db2.gz PPVXKVBHWLZFIT-CYBMUJFWSA-N 2 2 262.357 0.943 20 0 CCADLP C[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)[C@@H](C(N)=O)C1 ZINC000778291336 581102638 /nfs/dbraw/zinc/10/26/38/581102638.db2.gz DPZICIRASLCIDX-JHJVBQTASA-N 2 2 269.389 0.029 20 0 CCADLP C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)[C@@H](C(N)=O)C1 ZINC000778291336 581102639 /nfs/dbraw/zinc/10/26/39/581102639.db2.gz DPZICIRASLCIDX-JHJVBQTASA-N 2 2 269.389 0.029 20 0 CCADLP Cc1n[nH]nc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000789950982 581166125 /nfs/dbraw/zinc/16/61/25/581166125.db2.gz VSQRUJKANASORJ-UHFFFAOYSA-N 2 2 294.403 0.211 20 0 CCADLP Cc1n[nH]nc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000789950982 581166126 /nfs/dbraw/zinc/16/61/26/581166126.db2.gz VSQRUJKANASORJ-UHFFFAOYSA-N 2 2 294.403 0.211 20 0 CCADLP Cc1nn[nH]c1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000789950982 581166127 /nfs/dbraw/zinc/16/61/27/581166127.db2.gz VSQRUJKANASORJ-UHFFFAOYSA-N 2 2 294.403 0.211 20 0 CCADLP Cc1nn[nH]c1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000789950982 581166128 /nfs/dbraw/zinc/16/61/28/581166128.db2.gz VSQRUJKANASORJ-UHFFFAOYSA-N 2 2 294.403 0.211 20 0 CCADLP OC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000782062120 581286784 /nfs/dbraw/zinc/28/67/84/581286784.db2.gz FTSCNHRXHKYXIR-CABCVRRESA-N 2 2 282.359 0.905 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CCCOCC2)C1 ZINC000783969347 581369326 /nfs/dbraw/zinc/36/93/26/581369326.db2.gz AAUOYYXLJSDFRI-GFCCVEGCSA-N 2 2 278.356 0.416 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CCCOCC2)C1 ZINC000783969347 581369327 /nfs/dbraw/zinc/36/93/27/581369327.db2.gz AAUOYYXLJSDFRI-GFCCVEGCSA-N 2 2 278.356 0.416 20 0 CCADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@@](C)(O)CO)s1 ZINC000796361968 581438500 /nfs/dbraw/zinc/43/85/00/581438500.db2.gz IFHVRKPANHRCOW-LLVKDONJSA-N 2 2 259.375 0.038 20 0 CCADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)[C@@H]1CCC(=O)NC1=O ZINC000796676421 581447791 /nfs/dbraw/zinc/44/77/91/581447791.db2.gz RAMMQYCSBLVLAM-CYBMUJFWSA-N 2 2 293.367 0.839 20 0 CCADLP C[NH+](CCC[N@H+](C)Cc1ccco1)[C@@H]1CCC(=O)NC1=O ZINC000796676421 581447792 /nfs/dbraw/zinc/44/77/92/581447792.db2.gz RAMMQYCSBLVLAM-CYBMUJFWSA-N 2 2 293.367 0.839 20 0 CCADLP C[NH+](CCC[N@H+](C)[C@@H]1CCC(=O)NC1=O)Cc1ccco1 ZINC000796676421 581447793 /nfs/dbraw/zinc/44/77/93/581447793.db2.gz RAMMQYCSBLVLAM-CYBMUJFWSA-N 2 2 293.367 0.839 20 0 CCADLP C[NH+](CCC[N@@H+](C)[C@@H]1CCC(=O)NC1=O)Cc1ccco1 ZINC000796676421 581447794 /nfs/dbraw/zinc/44/77/94/581447794.db2.gz RAMMQYCSBLVLAM-CYBMUJFWSA-N 2 2 293.367 0.839 20 0 CCADLP CO[C@H]1CC(=O)N(C[N@H+](C)CCCn2cc[nH+]c2C)C1 ZINC000787225702 581461035 /nfs/dbraw/zinc/46/10/35/581461035.db2.gz RDKNXUXLLLEWNB-ZDUSSCGKSA-N 2 2 280.372 0.718 20 0 CCADLP CO[C@H]1CC(=O)N(C[N@@H+](C)CCCn2cc[nH+]c2C)C1 ZINC000787225702 581461037 /nfs/dbraw/zinc/46/10/37/581461037.db2.gz RDKNXUXLLLEWNB-ZDUSSCGKSA-N 2 2 280.372 0.718 20 0 CCADLP OCCC[NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000734000616 581539031 /nfs/dbraw/zinc/53/90/31/581539031.db2.gz SGJAHYMUZXNTHQ-INIZCTEOSA-N 2 2 278.396 0.986 20 0 CCADLP OCCC[NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000734000616 581539035 /nfs/dbraw/zinc/53/90/35/581539035.db2.gz SGJAHYMUZXNTHQ-INIZCTEOSA-N 2 2 278.396 0.986 20 0 CCADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)[C@@H]1CCC(=O)NC1=O ZINC000765961705 581541792 /nfs/dbraw/zinc/54/17/92/581541792.db2.gz DXKMIEOIXVTXIK-NWDGAFQWSA-N 2 2 267.373 0.598 20 0 CCADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)[C@@H]1CCC(=O)NC1=O ZINC000765961705 581541793 /nfs/dbraw/zinc/54/17/93/581541793.db2.gz DXKMIEOIXVTXIK-NWDGAFQWSA-N 2 2 267.373 0.598 20 0 CCADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCC(=O)NC1=O ZINC000765961705 581541797 /nfs/dbraw/zinc/54/17/97/581541797.db2.gz DXKMIEOIXVTXIK-NWDGAFQWSA-N 2 2 267.373 0.598 20 0 CCADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)[C@@H]1CCC(=O)NC1=O ZINC000765961705 581541800 /nfs/dbraw/zinc/54/18/00/581541800.db2.gz DXKMIEOIXVTXIK-NWDGAFQWSA-N 2 2 267.373 0.598 20 0 CCADLP CCOC(=O)[C@H]1C[N@H+](CCn2cc[nH+]c2C)CCO1 ZINC000766244990 581559053 /nfs/dbraw/zinc/55/90/53/581559053.db2.gz WKYNPYVTRARVSD-GFCCVEGCSA-N 2 2 267.329 0.455 20 0 CCADLP CCOC(=O)[C@H]1C[N@@H+](CCn2cc[nH+]c2C)CCO1 ZINC000766244990 581559055 /nfs/dbraw/zinc/55/90/55/581559055.db2.gz WKYNPYVTRARVSD-GFCCVEGCSA-N 2 2 267.329 0.455 20 0 CCADLP CON(C)C(=O)CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000788022901 581564360 /nfs/dbraw/zinc/56/43/60/581564360.db2.gz QLHGBRJLAWBUAL-UHFFFAOYSA-N 2 2 266.345 0.999 20 0 CCADLP [NH3+]CC[N@H+](CCO)CCOCC(F)(F)C(F)F ZINC000420308748 581580801 /nfs/dbraw/zinc/58/08/01/581580801.db2.gz OAIDSLQRPDXTRX-UHFFFAOYSA-N 2 2 262.247 0.156 20 0 CCADLP [NH3+]CC[N@@H+](CCO)CCOCC(F)(F)C(F)F ZINC000420308748 581580806 /nfs/dbraw/zinc/58/08/06/581580806.db2.gz OAIDSLQRPDXTRX-UHFFFAOYSA-N 2 2 262.247 0.156 20 0 CCADLP O=C1OCCN1CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000729921038 581621302 /nfs/dbraw/zinc/62/13/02/581621302.db2.gz SVPSBIMMOUZLQV-GFCCVEGCSA-N 2 2 264.329 0.972 20 0 CCADLP O=C1OCCN1CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000729921038 581621304 /nfs/dbraw/zinc/62/13/04/581621304.db2.gz SVPSBIMMOUZLQV-GFCCVEGCSA-N 2 2 264.329 0.972 20 0 CCADLP CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@@H](O)C[NH+]3CCCC3)[C@H]2C1 ZINC000755052166 581623349 /nfs/dbraw/zinc/62/33/49/581623349.db2.gz AVTTZFODZOXKFG-FZKCQIBNSA-N 2 2 298.427 0.711 20 0 CCADLP CO[C@@H]1CC[C@@H]2OCC[N@@H+](C[C@@H](O)C[NH+]3CCCC3)[C@H]2C1 ZINC000755052166 581623351 /nfs/dbraw/zinc/62/33/51/581623351.db2.gz AVTTZFODZOXKFG-FZKCQIBNSA-N 2 2 298.427 0.711 20 0 CCADLP C[C@@H](c1ccncc1)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000169810647 581653983 /nfs/dbraw/zinc/65/39/83/581653983.db2.gz WRVSVSAIPVDPBM-ZDUSSCGKSA-N 2 2 276.384 0.848 20 0 CCADLP CCc1noc(C)c1[C@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000769872697 581712489 /nfs/dbraw/zinc/71/24/89/581712489.db2.gz KDBWUNQVPRQCAG-NSHDSACASA-N 2 2 294.399 0.970 20 0 CCADLP Cn1ccnc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000741264382 581742735 /nfs/dbraw/zinc/74/27/35/581742735.db2.gz PZZXMQLDMVQJBA-LBPRGKRZSA-N 2 2 291.399 0.318 20 0 CCADLP Cn1ccnc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000741264382 581742738 /nfs/dbraw/zinc/74/27/38/581742738.db2.gz PZZXMQLDMVQJBA-LBPRGKRZSA-N 2 2 291.399 0.318 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@H]2CCC[NH+](C)C2)CCO1 ZINC000731115657 581753823 /nfs/dbraw/zinc/75/38/23/581753823.db2.gz DXKJMLISYLZTAA-ZIAGYGMSSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@H]2CCC[NH+](C)C2)CCO1 ZINC000731115657 581753830 /nfs/dbraw/zinc/75/38/30/581753830.db2.gz DXKJMLISYLZTAA-ZIAGYGMSSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@H]2CCC[N@H+](C)C2)CCO1 ZINC000731115657 581753831 /nfs/dbraw/zinc/75/38/31/581753831.db2.gz DXKJMLISYLZTAA-ZIAGYGMSSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@H]2CCC[N@@H+](C)C2)CCO1 ZINC000731115657 581753837 /nfs/dbraw/zinc/75/38/37/581753837.db2.gz DXKJMLISYLZTAA-ZIAGYGMSSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)CC[NH+]2CCOCC2)CC[N@H+]1C ZINC000771403832 581772410 /nfs/dbraw/zinc/77/24/10/581772410.db2.gz IUDDRUODVQDEGL-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000771403832 581772412 /nfs/dbraw/zinc/77/24/12/581772412.db2.gz IUDDRUODVQDEGL-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CC(C)(C)OC(=O)NCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000759785703 581823037 /nfs/dbraw/zinc/82/30/37/581823037.db2.gz UNPYIZSDWJSKBN-PHIMTYICSA-N 2 2 255.362 0.662 20 0 CCADLP CC(C)(C)OC(=O)NCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000759785703 581823040 /nfs/dbraw/zinc/82/30/40/581823040.db2.gz UNPYIZSDWJSKBN-PHIMTYICSA-N 2 2 255.362 0.662 20 0 CCADLP COC(=O)/C(C)=C\C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000760877569 581877388 /nfs/dbraw/zinc/87/73/88/581877388.db2.gz XVBXKCGRXAQWJP-QCDXTXTGSA-N 2 2 278.356 0.661 20 0 CCADLP O=c1[nH]ccc2c1C[N@H+](C[C@H](O)C[NH+]1CCCC1)CC2 ZINC000755192784 581900024 /nfs/dbraw/zinc/90/00/24/581900024.db2.gz ABMUORBFIYIOJI-CYBMUJFWSA-N 2 2 277.368 0.602 20 0 CCADLP O=c1[nH]ccc2c1C[N@@H+](C[C@H](O)C[NH+]1CCCC1)CC2 ZINC000755192784 581900026 /nfs/dbraw/zinc/90/00/26/581900026.db2.gz ABMUORBFIYIOJI-CYBMUJFWSA-N 2 2 277.368 0.602 20 0 CCADLP CCC[NH+]1CCC([N@H+](C)CC(=O)N(C)OC)CC1 ZINC000746502461 581917485 /nfs/dbraw/zinc/91/74/85/581917485.db2.gz PSNURNFZQOOGPO-UHFFFAOYSA-N 2 2 257.378 0.812 20 0 CCADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N(C)OC)CC1 ZINC000746502461 581917487 /nfs/dbraw/zinc/91/74/87/581917487.db2.gz PSNURNFZQOOGPO-UHFFFAOYSA-N 2 2 257.378 0.812 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(Cl)nc2)C1 ZINC000762555295 581951302 /nfs/dbraw/zinc/95/13/02/581951302.db2.gz DUVNBDUSUFVWID-GFCCVEGCSA-N 2 2 255.749 0.891 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(Cl)nc2)C1 ZINC000762555295 581951305 /nfs/dbraw/zinc/95/13/05/581951305.db2.gz DUVNBDUSUFVWID-GFCCVEGCSA-N 2 2 255.749 0.891 20 0 CCADLP COc1cc[nH+]cc1NC(=S)NCC[NH+](C)C ZINC000748156889 581964485 /nfs/dbraw/zinc/96/44/85/581964485.db2.gz LIGCDJSLDSLMLO-UHFFFAOYSA-N 2 2 254.359 0.938 20 0 CCADLP C[NH+](C)C1(C(=O)N2CC[NH+](C3CC3)CC2)CCC1 ZINC000763028489 581978331 /nfs/dbraw/zinc/97/83/31/581978331.db2.gz FKJQAUNECIBIKO-UHFFFAOYSA-N 2 2 251.374 0.777 20 0 CCADLP CN1C(=O)CN(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1=O ZINC000776200825 582059094 /nfs/dbraw/zinc/05/90/94/582059094.db2.gz QGNTZIFOGHSJAB-NSHDSACASA-N 2 2 277.328 0.372 20 0 CCADLP CN1C(=O)CN(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1=O ZINC000776200825 582059096 /nfs/dbraw/zinc/05/90/96/582059096.db2.gz QGNTZIFOGHSJAB-NSHDSACASA-N 2 2 277.328 0.372 20 0 CCADLP CC(C)OCC[C@@H](O)C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000923380231 614023298 /nfs/dbraw/zinc/02/32/98/614023298.db2.gz OLMHEAAQFXQMQI-KGLIPLIRSA-N 2 2 256.390 0.990 20 0 CCADLP CC(C)OCC[C@@H](O)C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000923380231 614023299 /nfs/dbraw/zinc/02/32/99/614023299.db2.gz OLMHEAAQFXQMQI-KGLIPLIRSA-N 2 2 256.390 0.990 20 0 CCADLP CC(C)[C@H](CNC(=[NH2+])N[C@H]1C[C@H]1C)[NH+]1CCOCC1 ZINC000864449939 614208465 /nfs/dbraw/zinc/20/84/65/614208465.db2.gz CKGVWLXZADODKD-AGIUHOORSA-N 2 2 268.405 0.866 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](N2CCOC2=O)C1 ZINC000852443629 614263909 /nfs/dbraw/zinc/26/39/09/614263909.db2.gz PSQDEVGJVDRLJA-STQMWFEESA-N 2 2 285.388 0.214 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](N2CCOC2=O)C1 ZINC000852443629 614263910 /nfs/dbraw/zinc/26/39/10/614263910.db2.gz PSQDEVGJVDRLJA-STQMWFEESA-N 2 2 285.388 0.214 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852443629 614263911 /nfs/dbraw/zinc/26/39/11/614263911.db2.gz PSQDEVGJVDRLJA-STQMWFEESA-N 2 2 285.388 0.214 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852443629 614263912 /nfs/dbraw/zinc/26/39/12/614263912.db2.gz PSQDEVGJVDRLJA-STQMWFEESA-N 2 2 285.388 0.214 20 0 CCADLP CS[C@@H]1CN(c2nc(N)cc(C)[nH+]2)C[C@H]1[NH+](C)C ZINC000893001898 617269177 /nfs/dbraw/zinc/26/91/77/617269177.db2.gz PNUSXCFGEHUVED-NXEZZACHSA-N 2 2 267.402 0.849 20 0 CCADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000876707400 613191858 /nfs/dbraw/zinc/19/18/58/613191858.db2.gz FBDVYEYSRHXTFD-WVSCJACDSA-N 2 2 262.357 0.801 20 0 CCADLP C(CN1C[C@H]2CC[C@@H](C1)O2)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903471950 613222545 /nfs/dbraw/zinc/22/25/45/613222545.db2.gz NRNVGNLMKXTLCQ-MJBXVCDLSA-N 2 2 265.401 0.724 20 0 CCADLP C(C[NH2+][C@@H]1C[NH2+]CCOC1)COC[C@@H]1CCOC1 ZINC000925523576 613225134 /nfs/dbraw/zinc/22/51/34/613225134.db2.gz TXKXQHWWHQMFLB-QWHCGFSZSA-N 2 2 258.362 0.008 20 0 CCADLP C(OC1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1)[C@@H]1CCCO1 ZINC000852744960 613230099 /nfs/dbraw/zinc/23/00/99/613230099.db2.gz LXKGPMKHLGEBJU-GJZGRUSLSA-N 2 2 284.400 0.635 20 0 CCADLP C/C(=C/C(=O)N1CC[C@H]([NH+]2CCC2)C1)C[NH+]1CCOCC1 ZINC000912902072 613233164 /nfs/dbraw/zinc/23/31/64/613233164.db2.gz JEJLGBBTIKQKCU-SZGZABIGSA-N 2 2 293.411 0.572 20 0 CCADLP C/C(=C/C(=O)NC1CC([NH+](C)C)C1)C[NH+]1CCOCC1 ZINC000908012274 613235437 /nfs/dbraw/zinc/23/54/37/613235437.db2.gz MKKLDIHXZRGPKA-WQLSENKSSA-N 2 2 281.400 0.474 20 0 CCADLP C/C(=C/C(=O)NCC[N@@H+](C)C1CC1)C[NH+]1CCOCC1 ZINC000900366566 613236240 /nfs/dbraw/zinc/23/62/40/613236240.db2.gz CNVYQSDPAAQCIO-QBFSEMIESA-N 2 2 281.400 0.475 20 0 CCADLP C/C(=C/C(=O)NCC[N@H+](C)C1CC1)C[NH+]1CCOCC1 ZINC000900366566 613236241 /nfs/dbraw/zinc/23/62/41/613236241.db2.gz CNVYQSDPAAQCIO-QBFSEMIESA-N 2 2 281.400 0.475 20 0 CCADLP C/C(=C\C(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C)C[NH+]1CCOCC1 ZINC000908412579 613252896 /nfs/dbraw/zinc/25/28/96/613252896.db2.gz FRQSAOYHVISMED-CYAURGIBSA-N 2 2 295.427 0.816 20 0 CCADLP C/C(=C\C(=O)NC(C)(C)C[NH+](C)C)C[NH+]1CCOCC1 ZINC000909558879 613255186 /nfs/dbraw/zinc/25/51/86/613255186.db2.gz GFWIYWUDWGJRAZ-JLHYYAGUSA-N 2 2 283.416 0.721 20 0 CCADLP CC(C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000960644505 613903777 /nfs/dbraw/zinc/90/37/77/613903777.db2.gz CPWVZKSKAIHJPY-SPWCGHHHSA-N 2 2 288.395 0.900 20 0 CCADLP CC(C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000960644505 613903779 /nfs/dbraw/zinc/90/37/79/613903779.db2.gz CPWVZKSKAIHJPY-SPWCGHHHSA-N 2 2 288.395 0.900 20 0 CCADLP CC(C)(C)[NH2+]CCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000821387477 613954475 /nfs/dbraw/zinc/95/44/75/613954475.db2.gz ZUYBOQKAOZIKKF-JTQLQIEISA-N 2 2 250.346 0.702 20 0 CCADLP CC(C)[C@@H](C(=O)N1CC[N@H+](C)[C@H](CO)C1)[NH+]1CCCCC1 ZINC000913550985 614072587 /nfs/dbraw/zinc/07/25/87/614072587.db2.gz GJJMVIFXRSJYAA-GJZGRUSLSA-N 2 2 297.443 0.632 20 0 CCADLP CC(C)[C@@H](C(=O)N1CC[N@@H+](C)[C@H](CO)C1)[NH+]1CCCCC1 ZINC000913550985 614072590 /nfs/dbraw/zinc/07/25/90/614072590.db2.gz GJJMVIFXRSJYAA-GJZGRUSLSA-N 2 2 297.443 0.632 20 0 CCADLP CC(C)(CN1CC[NH+](CCCCO)CC1)[NH+]1CCOCC1 ZINC000876724985 614089302 /nfs/dbraw/zinc/08/93/02/614089302.db2.gz LKLVBIHQRKMFKU-UHFFFAOYSA-N 2 2 299.459 0.487 20 0 CCADLP CC(C)(CO)[NH+]1CCN(c2nccn3c[nH+]cc23)CC1 ZINC000892541687 614120921 /nfs/dbraw/zinc/12/09/21/614120921.db2.gz FBKWFFHODZNPPU-UHFFFAOYSA-N 2 2 275.356 0.622 20 0 CCADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000905702307 614188696 /nfs/dbraw/zinc/18/86/96/614188696.db2.gz OCDOFDYTORSTLU-RRFJBIMHSA-N 2 2 288.432 0.455 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC2(CC1)OCCCO2 ZINC000852092236 614263766 /nfs/dbraw/zinc/26/37/66/614263766.db2.gz SDKCQDBRVPWDAO-AWEZNQCLSA-N 2 2 286.416 0.917 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC2(CC1)OCCCO2 ZINC000852092236 614263769 /nfs/dbraw/zinc/26/37/69/614263769.db2.gz SDKCQDBRVPWDAO-AWEZNQCLSA-N 2 2 286.416 0.917 20 0 CCADLP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972611958 614275620 /nfs/dbraw/zinc/27/56/20/614275620.db2.gz GZLTWFGRLJRSAL-LLVKDONJSA-N 2 2 250.346 0.893 20 0 CCADLP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972611958 614275622 /nfs/dbraw/zinc/27/56/22/614275622.db2.gz GZLTWFGRLJRSAL-LLVKDONJSA-N 2 2 250.346 0.893 20 0 CCADLP CCC[C@H](O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932620714 614413049 /nfs/dbraw/zinc/41/30/49/614413049.db2.gz BVIIHNVYEBTCCG-JSGCOSHPSA-N 2 2 283.416 0.432 20 0 CCADLP CCC[C@H](O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932620714 614413051 /nfs/dbraw/zinc/41/30/51/614413051.db2.gz BVIIHNVYEBTCCG-JSGCOSHPSA-N 2 2 283.416 0.432 20 0 CCADLP CCCCOC(=O)[C@@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000843349284 614441567 /nfs/dbraw/zinc/44/15/67/614441567.db2.gz RMBZPGJEFIMSQX-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP CCCCOC(=O)[C@@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000843349284 614441568 /nfs/dbraw/zinc/44/15/68/614441568.db2.gz RMBZPGJEFIMSQX-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[N@H+](C[C@H](O)COC1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000923286927 614585482 /nfs/dbraw/zinc/58/54/82/614585482.db2.gz QUIBOEFVPVRTMB-KGLIPLIRSA-N 2 2 286.416 0.617 20 0 CCADLP CCC[N@@H+](C[C@H](O)COC1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000923286927 614585485 /nfs/dbraw/zinc/58/54/85/614585485.db2.gz QUIBOEFVPVRTMB-KGLIPLIRSA-N 2 2 286.416 0.617 20 0 CCADLP CCC[N@H+](C[C@H](O)COC[C@@H]1CCCO1)[C@@H]1CC[NH2+]C1 ZINC000923288012 614585498 /nfs/dbraw/zinc/58/54/98/614585498.db2.gz WWWOXUNKXYMOTE-ILXRZTDVSA-N 2 2 286.416 0.617 20 0 CCADLP CCC[N@@H+](C[C@H](O)COC[C@@H]1CCCO1)[C@@H]1CC[NH2+]C1 ZINC000923288012 614585501 /nfs/dbraw/zinc/58/55/01/614585501.db2.gz WWWOXUNKXYMOTE-ILXRZTDVSA-N 2 2 286.416 0.617 20 0 CCADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1C[NH+](CC(C)C)C1 ZINC000949830604 614635647 /nfs/dbraw/zinc/63/56/47/614635647.db2.gz SFOQIUSYNGUDKT-AWEZNQCLSA-N 2 2 283.416 0.506 20 0 CCADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1C[NH+](CC(C)C)C1 ZINC000949830604 614635650 /nfs/dbraw/zinc/63/56/50/614635650.db2.gz SFOQIUSYNGUDKT-AWEZNQCLSA-N 2 2 283.416 0.506 20 0 CCADLP CC1(C)C[N@H+](C[C@H](O)COC[C@H]2CCCO2)C[C@H]1[NH3+] ZINC000923432321 614673177 /nfs/dbraw/zinc/67/31/77/614673177.db2.gz KRZOZDGSAAKOQR-YNEHKIRRSA-N 2 2 272.389 0.212 20 0 CCADLP CC1(C)C[N@@H+](C[C@H](O)COC[C@H]2CCCO2)C[C@H]1[NH3+] ZINC000923432321 614673181 /nfs/dbraw/zinc/67/31/81/614673181.db2.gz KRZOZDGSAAKOQR-YNEHKIRRSA-N 2 2 272.389 0.212 20 0 CCADLP CC1(C)C[N@H+](C[C@H](O)COC2CCOCC2)C[C@H]1[NH3+] ZINC000923430490 614673259 /nfs/dbraw/zinc/67/32/59/614673259.db2.gz LYJXDIAAVTUHAC-WCQYABFASA-N 2 2 272.389 0.212 20 0 CCADLP CC1(C)C[N@@H+](C[C@H](O)COC2CCOCC2)C[C@H]1[NH3+] ZINC000923430490 614673264 /nfs/dbraw/zinc/67/32/64/614673264.db2.gz LYJXDIAAVTUHAC-WCQYABFASA-N 2 2 272.389 0.212 20 0 CCADLP CC1(C)CNC(=O)[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000895323131 614689931 /nfs/dbraw/zinc/68/99/31/614689931.db2.gz ZEYGYGMJDZTOKH-LBPRGKRZSA-N 2 2 251.374 0.727 20 0 CCADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903920964 614702117 /nfs/dbraw/zinc/70/21/17/614702117.db2.gz YWUNZUSLZMDTEG-JSGCOSHPSA-N 3 2 292.431 0.680 20 0 CCADLP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000884405679 614704869 /nfs/dbraw/zinc/70/48/69/614704869.db2.gz ZUXMBICQNMRUIX-CHWSQXEVSA-N 2 2 281.400 0.165 20 0 CCADLP CC1(C)CO[C@@H](C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000872142879 614726644 /nfs/dbraw/zinc/72/66/44/614726644.db2.gz DBCNDPVQLCFFLF-UONOGXRCSA-N 2 2 295.427 0.698 20 0 CCADLP CC1(C)CO[C@@H](C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000872142879 614726649 /nfs/dbraw/zinc/72/66/49/614726649.db2.gz DBCNDPVQLCFFLF-UONOGXRCSA-N 2 2 295.427 0.698 20 0 CCADLP CC1(C)[NH2+]CC[C@H]1[NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC000902500932 614808598 /nfs/dbraw/zinc/80/85/98/614808598.db2.gz NZTZZPMHDVMMQS-WDEREUQCSA-N 2 2 277.372 0.491 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000877434056 614910500 /nfs/dbraw/zinc/91/05/00/614910500.db2.gz MRKZFNDFFCXSRP-OLZOCXBDSA-N 2 2 271.405 0.602 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000877434056 614910502 /nfs/dbraw/zinc/91/05/02/614910502.db2.gz MRKZFNDFFCXSRP-OLZOCXBDSA-N 2 2 271.405 0.602 20 0 CCADLP CC[N@H+](CCC(N)=O)Cc1ncc(C[NH+](C)C)s1 ZINC000896710637 615041389 /nfs/dbraw/zinc/04/13/89/615041389.db2.gz UUQDPLMQRWRISB-UHFFFAOYSA-N 2 2 270.402 0.902 20 0 CCADLP CC[N@@H+](CCC(N)=O)Cc1ncc(C[NH+](C)C)s1 ZINC000896710637 615041390 /nfs/dbraw/zinc/04/13/90/615041390.db2.gz UUQDPLMQRWRISB-UHFFFAOYSA-N 2 2 270.402 0.902 20 0 CCADLP CC[N@H+](CCNS(=O)(=O)CCn1cc[nH+]c1)C(C)C ZINC000882103349 615051378 /nfs/dbraw/zinc/05/13/78/615051378.db2.gz QQAAYCGUASGJKD-UHFFFAOYSA-N 2 2 288.417 0.533 20 0 CCADLP CC[N@@H+](CCNS(=O)(=O)CCn1cc[nH+]c1)C(C)C ZINC000882103349 615051379 /nfs/dbraw/zinc/05/13/79/615051379.db2.gz QQAAYCGUASGJKD-UHFFFAOYSA-N 2 2 288.417 0.533 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886865523 615056865 /nfs/dbraw/zinc/05/68/65/615056865.db2.gz MXCFVDKQQDAXAD-CQSZACIVSA-N 2 2 282.388 0.298 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886865523 615056866 /nfs/dbraw/zinc/05/68/66/615056866.db2.gz MXCFVDKQQDAXAD-CQSZACIVSA-N 2 2 282.388 0.298 20 0 CCADLP CC[NH+]1CCC(NC(=O)/C=C(\C)C[NH+]2CCOCC2)CC1 ZINC000900009577 615099889 /nfs/dbraw/zinc/09/98/89/615099889.db2.gz KECXUBZCFRGFHB-WYMLVPIESA-N 2 2 295.427 0.865 20 0 CCADLP CCNS(=O)(=O)CC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000817912904 615105556 /nfs/dbraw/zinc/10/55/56/615105556.db2.gz YRMGYZNMKYVQSZ-OCCSQVGLSA-N 2 2 299.440 0.474 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000970484656 615117242 /nfs/dbraw/zinc/11/72/42/615117242.db2.gz LIOJDAXZTIBNAM-SNVBAGLBSA-N 2 2 250.346 0.898 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000970228405 615119616 /nfs/dbraw/zinc/11/96/16/615119616.db2.gz SQJRPUYTDDYZJT-GHMZBOCLSA-N 2 2 250.346 0.799 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000970228405 615119618 /nfs/dbraw/zinc/11/96/18/615119618.db2.gz SQJRPUYTDDYZJT-GHMZBOCLSA-N 2 2 250.346 0.799 20 0 CCADLP CC[NH2+][C@H]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000981458397 615132850 /nfs/dbraw/zinc/13/28/50/615132850.db2.gz XGMDAEVNPNFJGI-NWDGAFQWSA-N 2 2 264.373 1.000 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C)C[C@H]2CC(C)C)C1 ZINC000886592815 615181207 /nfs/dbraw/zinc/18/12/07/615181207.db2.gz BZOHLXXGQYQNDN-CABCVRRESA-N 2 2 297.443 0.896 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C)C[C@H]2CC(C)C)C1 ZINC000886592815 615181208 /nfs/dbraw/zinc/18/12/08/615181208.db2.gz BZOHLXXGQYQNDN-CABCVRRESA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@H+](C)C[C@H]2CC(C)C)C1 ZINC000886592815 615181210 /nfs/dbraw/zinc/18/12/10/615181210.db2.gz BZOHLXXGQYQNDN-CABCVRRESA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2CC(C)C)C1 ZINC000886592815 615181211 /nfs/dbraw/zinc/18/12/11/615181211.db2.gz BZOHLXXGQYQNDN-CABCVRRESA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1[C@H](C)CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@@H]1C ZINC000880608877 615182115 /nfs/dbraw/zinc/18/21/15/615182115.db2.gz MVUJPTZQLWHXRP-MJBXVCDLSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1[C@H](C)CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@@H]1C ZINC000880608877 615182117 /nfs/dbraw/zinc/18/21/17/615182117.db2.gz MVUJPTZQLWHXRP-MJBXVCDLSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H](C)[N@@H+](CC)[C@@H](C)C2)C1 ZINC000880608877 615182120 /nfs/dbraw/zinc/18/21/20/615182120.db2.gz MVUJPTZQLWHXRP-MJBXVCDLSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H](C)[N@H+](CC)[C@@H](C)C2)C1 ZINC000880608877 615182122 /nfs/dbraw/zinc/18/21/22/615182122.db2.gz MVUJPTZQLWHXRP-MJBXVCDLSA-N 2 2 283.416 0.648 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000948089586 615214487 /nfs/dbraw/zinc/21/44/87/615214487.db2.gz CUHRHCWWMUMGQB-VXGBXAGGSA-N 2 2 250.346 0.872 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000948089586 615214488 /nfs/dbraw/zinc/21/44/88/615214488.db2.gz CUHRHCWWMUMGQB-VXGBXAGGSA-N 2 2 250.346 0.872 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000922157654 615240075 /nfs/dbraw/zinc/24/00/75/615240075.db2.gz BBVVGCCFACDALJ-ITDFMYJTSA-N 2 2 267.373 0.085 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000922157654 615240078 /nfs/dbraw/zinc/24/00/78/615240078.db2.gz BBVVGCCFACDALJ-ITDFMYJTSA-N 2 2 267.373 0.085 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000947762704 615281492 /nfs/dbraw/zinc/28/14/92/615281492.db2.gz YUNHKHGNEGHIHZ-MNOVXSKESA-N 2 2 250.346 0.941 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000947762704 615281493 /nfs/dbraw/zinc/28/14/93/615281493.db2.gz YUNHKHGNEGHIHZ-MNOVXSKESA-N 2 2 250.346 0.941 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000943767528 615281670 /nfs/dbraw/zinc/28/16/70/615281670.db2.gz XCCZYCGKUFDFBF-QWRGUYRKSA-N 2 2 250.346 0.799 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000943767528 615281671 /nfs/dbraw/zinc/28/16/71/615281671.db2.gz XCCZYCGKUFDFBF-QWRGUYRKSA-N 2 2 250.346 0.799 20 0 CCADLP CCOCC[C@H](O)C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923530202 615300766 /nfs/dbraw/zinc/30/07/66/615300766.db2.gz HAGPNQRWJAXTKH-KBPBESRZSA-N 2 2 256.390 0.992 20 0 CCADLP CCOCC[C@H](O)C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923530202 615300769 /nfs/dbraw/zinc/30/07/69/615300769.db2.gz HAGPNQRWJAXTKH-KBPBESRZSA-N 2 2 256.390 0.992 20 0 CCADLP CCOCC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931721503 615301231 /nfs/dbraw/zinc/30/12/31/615301231.db2.gz QEAUKAZDQQUAGS-RDBSUJKOSA-N 2 2 256.390 0.942 20 0 CCADLP CCOCC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931721503 615301233 /nfs/dbraw/zinc/30/12/33/615301233.db2.gz QEAUKAZDQQUAGS-RDBSUJKOSA-N 2 2 256.390 0.942 20 0 CCADLP CCOCC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931721503 615301236 /nfs/dbraw/zinc/30/12/36/615301236.db2.gz QEAUKAZDQQUAGS-RDBSUJKOSA-N 2 2 256.390 0.942 20 0 CCADLP CCOCC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931721503 615301239 /nfs/dbraw/zinc/30/12/39/615301239.db2.gz QEAUKAZDQQUAGS-RDBSUJKOSA-N 2 2 256.390 0.942 20 0 CCADLP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925778156 615327126 /nfs/dbraw/zinc/32/71/26/615327126.db2.gz RNOFBZKVHQEVRU-HBNTYKKESA-N 2 2 291.342 0.114 20 0 CCADLP CC[C@@H](C(=O)N1CCC[N@H+](CCF)CC1)[NH+](C)C ZINC000981976939 615370202 /nfs/dbraw/zinc/37/02/02/615370202.db2.gz UKYJPRDJXUSQDE-LBPRGKRZSA-N 2 2 259.369 0.830 20 0 CCADLP CC[C@@H](C(=O)N1CCC[N@@H+](CCF)CC1)[NH+](C)C ZINC000981976939 615370205 /nfs/dbraw/zinc/37/02/05/615370205.db2.gz UKYJPRDJXUSQDE-LBPRGKRZSA-N 2 2 259.369 0.830 20 0 CCADLP CCO[C@@H](CNC(=O)NCc1c[nH+]cn1C)C[NH+](C)C ZINC000922516048 615407080 /nfs/dbraw/zinc/40/70/80/615407080.db2.gz QEVLFDLDABNWBD-LBPRGKRZSA-N 2 2 283.376 0.186 20 0 CCADLP CCO[C@@H](C[NH2+]C[C@@H](O)CSC)C[NH+](C)C ZINC000905577809 615410287 /nfs/dbraw/zinc/41/02/87/615410287.db2.gz BSVUXEWCEZVFGB-MNOVXSKESA-N 2 2 250.408 0.267 20 0 CCADLP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]ccc1OC ZINC000960545910 615437801 /nfs/dbraw/zinc/43/78/01/615437801.db2.gz GUWSVYLLRAUJEX-JYAVWHMHSA-N 2 2 275.352 0.699 20 0 CCADLP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]ccc1OC ZINC000960545910 615437803 /nfs/dbraw/zinc/43/78/03/615437803.db2.gz GUWSVYLLRAUJEX-JYAVWHMHSA-N 2 2 275.352 0.699 20 0 CCADLP CC[N@H+]1[C@H](C)CN(C(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)C[C@@H]1C ZINC000864084449 615450637 /nfs/dbraw/zinc/45/06/37/615450637.db2.gz SHZIOEVKILIYGZ-COMQUAJESA-N 2 2 283.416 0.383 20 0 CCADLP CC[N@@H+]1[C@H](C)CN(C(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)C[C@@H]1C ZINC000864084449 615450641 /nfs/dbraw/zinc/45/06/41/615450641.db2.gz SHZIOEVKILIYGZ-COMQUAJESA-N 2 2 283.416 0.383 20 0 CCADLP CC[NH+]1[C@H](C)CN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)C[C@@H]1C ZINC000864084449 615450642 /nfs/dbraw/zinc/45/06/42/615450642.db2.gz SHZIOEVKILIYGZ-COMQUAJESA-N 2 2 283.416 0.383 20 0 CCADLP CC[NH+]1[C@H](C)CN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)C[C@@H]1C ZINC000864084449 615450644 /nfs/dbraw/zinc/45/06/44/615450644.db2.gz SHZIOEVKILIYGZ-COMQUAJESA-N 2 2 283.416 0.383 20 0 CCADLP CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000912386914 615454099 /nfs/dbraw/zinc/45/40/99/615454099.db2.gz KMVNXFWTXSURFA-MELADBBJSA-N 2 2 285.432 0.657 20 0 CCADLP CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000912386914 615454100 /nfs/dbraw/zinc/45/41/00/615454100.db2.gz KMVNXFWTXSURFA-MELADBBJSA-N 2 2 285.432 0.657 20 0 CCADLP CCO[C@H](CNc1cc(N(C)C)nc[nH+]1)C[NH+](C)C ZINC000896108793 615484630 /nfs/dbraw/zinc/48/46/30/615484630.db2.gz IHJXLITWHMEMNU-LLVKDONJSA-N 2 2 267.377 0.921 20 0 CCADLP CCO[C@H](CNc1cc(N(C)C)[nH+]cn1)C[NH+](C)C ZINC000896108793 615484631 /nfs/dbraw/zinc/48/46/31/615484631.db2.gz IHJXLITWHMEMNU-LLVKDONJSA-N 2 2 267.377 0.921 20 0 CCADLP CC[C@@H](CO)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855414902 615486529 /nfs/dbraw/zinc/48/65/29/615486529.db2.gz MLJUCVXARMAOQZ-LBPRGKRZSA-N 2 2 259.394 0.005 20 0 CCADLP CC[C@@H](CO)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855414902 615486530 /nfs/dbraw/zinc/48/65/30/615486530.db2.gz MLJUCVXARMAOQZ-LBPRGKRZSA-N 2 2 259.394 0.005 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(c2nccn3c[nH+]cc23)CC1 ZINC000892713788 615488996 /nfs/dbraw/zinc/48/89/96/615488996.db2.gz TZQZDHNZQWBMND-LBPRGKRZSA-N 2 2 275.356 0.622 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000877432110 615534881 /nfs/dbraw/zinc/53/48/81/615534881.db2.gz ASWVDKTUWOMOQZ-VXGBXAGGSA-N 2 2 257.378 0.211 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000877432110 615534883 /nfs/dbraw/zinc/53/48/83/615534883.db2.gz ASWVDKTUWOMOQZ-VXGBXAGGSA-N 2 2 257.378 0.211 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H](C)C[NH2+]C ZINC000877432844 615568068 /nfs/dbraw/zinc/56/80/68/615568068.db2.gz INSHYRQSSLQXKE-NWDGAFQWSA-N 2 2 257.378 0.069 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H](C)C[NH2+]C ZINC000877432844 615568069 /nfs/dbraw/zinc/56/80/69/615568069.db2.gz INSHYRQSSLQXKE-NWDGAFQWSA-N 2 2 257.378 0.069 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000877433456 615568179 /nfs/dbraw/zinc/56/81/79/615568179.db2.gz SNBWVNMJYRQDJW-VXGBXAGGSA-N 2 2 271.405 0.587 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000877433456 615568180 /nfs/dbraw/zinc/56/81/80/615568180.db2.gz SNBWVNMJYRQDJW-VXGBXAGGSA-N 2 2 271.405 0.587 20 0 CCADLP CCc1cc(NC[C@@]2(CO)COCC[NH2+]2)nc(CC)[nH+]1 ZINC000895122989 615658513 /nfs/dbraw/zinc/65/85/13/615658513.db2.gz BBXPNZFVBANXSX-CQSZACIVSA-N 2 2 280.372 0.364 20 0 CCADLP CC[C@H](C[NH+]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1)OC ZINC000950732801 615713875 /nfs/dbraw/zinc/71/38/75/615713875.db2.gz ZEOSZIMXHSJHDL-CYBMUJFWSA-N 2 2 280.372 0.521 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NCC[NH+]1CCC1 ZINC000925589885 615716382 /nfs/dbraw/zinc/71/63/82/615716382.db2.gz CLRJJGKWYYZFSQ-CYBMUJFWSA-N 2 2 284.404 0.102 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925680710 615727792 /nfs/dbraw/zinc/72/77/92/615727792.db2.gz KXHNYBGDTWFYQK-ZJUUUORDSA-N 2 2 263.407 0.044 20 0 CCADLP CC[C@H](CO)[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000930072579 615732798 /nfs/dbraw/zinc/73/27/98/615732798.db2.gz SIJNBUYPQWYAHV-YPMHNXCESA-N 2 2 269.389 0.171 20 0 CCADLP CC[C@H](CO)[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000930072579 615732799 /nfs/dbraw/zinc/73/27/99/615732799.db2.gz SIJNBUYPQWYAHV-YPMHNXCESA-N 2 2 269.389 0.171 20 0 CCADLP CC[C@H]([NH2+]C[C@@]1(OC)CCS(=O)(=O)C1)[C@@H]1CCC[NH2+]1 ZINC000925827930 615818315 /nfs/dbraw/zinc/81/83/15/615818315.db2.gz YHVRQDIFFYQINR-AVGNSLFASA-N 2 2 290.429 0.310 20 0 CCADLP CC[C@H](O)[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900674729 615842260 /nfs/dbraw/zinc/84/22/60/615842260.db2.gz NIIWPKBRDDVKIB-GUTXKFCHSA-N 2 2 297.443 0.678 20 0 CCADLP CC[C@H](O)[C@H](C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900674729 615842262 /nfs/dbraw/zinc/84/22/62/615842262.db2.gz NIIWPKBRDDVKIB-GUTXKFCHSA-N 2 2 297.443 0.678 20 0 CCADLP C[NH+](C)C1(CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000922987691 615847484 /nfs/dbraw/zinc/84/74/84/615847484.db2.gz HWIBGJSXEODLOA-CYBMUJFWSA-N 2 2 296.415 0.197 20 0 CCADLP CN(CC(C)(C)C[NH+](C)C)C(=O)Cn1cc[nH+]c1 ZINC000890880583 615866737 /nfs/dbraw/zinc/86/67/37/615866737.db2.gz CMUNLCDPIXXBPU-UHFFFAOYSA-N 2 2 252.362 0.929 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(F)nc1 ZINC000855415323 615879979 /nfs/dbraw/zinc/87/99/79/615879979.db2.gz VDFDPVBXJYHSEC-UHFFFAOYSA-N 2 2 282.363 0.834 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(F)nc1 ZINC000855415323 615879981 /nfs/dbraw/zinc/87/99/81/615879981.db2.gz VDFDPVBXJYHSEC-UHFFFAOYSA-N 2 2 282.363 0.834 20 0 CCADLP C[NH+](C)CCC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC000912733700 615887459 /nfs/dbraw/zinc/88/74/59/615887459.db2.gz XACQHRMYVFUWBG-CYBMUJFWSA-N 2 2 280.372 0.521 20 0 CCADLP C[NH+](C)CCC[C@@H]1C[N@H+](CC[S@](C)=O)CCO1 ZINC000852760714 615887600 /nfs/dbraw/zinc/88/76/00/615887600.db2.gz MJJOBTCGQISGBM-PXAZEXFGSA-N 2 2 262.419 0.408 20 0 CCADLP C[NH+](C)CCC[C@@H]1C[N@@H+](CC[S@](C)=O)CCO1 ZINC000852760714 615887602 /nfs/dbraw/zinc/88/76/02/615887602.db2.gz MJJOBTCGQISGBM-PXAZEXFGSA-N 2 2 262.419 0.408 20 0 CCADLP C[NH+](C)CCN1CCC(C[NH2+]C[C@@H]2CCC[NH2+]2)CC1 ZINC000843126391 615897449 /nfs/dbraw/zinc/89/74/49/615897449.db2.gz PUQVPTMXNQWPJC-HNNXBMFYSA-N 3 2 268.449 0.602 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000877432391 615927543 /nfs/dbraw/zinc/92/75/43/615927543.db2.gz CWJFLKVFICDTBO-KBPBESRZSA-N 2 2 283.416 0.603 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000877432391 615927547 /nfs/dbraw/zinc/92/75/47/615927547.db2.gz CWJFLKVFICDTBO-KBPBESRZSA-N 2 2 283.416 0.603 20 0 CCADLP C[NH+](C)C[C@H](N)C(=O)NCCCCNc1cccc[nH+]1 ZINC000876748494 615941539 /nfs/dbraw/zinc/94/15/39/615941539.db2.gz DEIFYFFBKQGIAA-LBPRGKRZSA-N 2 2 279.388 0.279 20 0 CCADLP CN(C)C(=O)CC[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880207134 615954480 /nfs/dbraw/zinc/95/44/80/615954480.db2.gz SAUAYSPRCBICQT-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP CN(C)C(=O)CC[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880207134 615954482 /nfs/dbraw/zinc/95/44/82/615954482.db2.gz SAUAYSPRCBICQT-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+](C)Cc1csc(CN[C@@H]2C[NH2+]CCOC2)n1 ZINC000925807844 615959307 /nfs/dbraw/zinc/95/93/07/615959307.db2.gz DOIOFVCNXXMVGA-SNVBAGLBSA-N 2 2 270.402 0.283 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H]1CO)c1ccccc1 ZINC000934017405 615973813 /nfs/dbraw/zinc/97/38/13/615973813.db2.gz QSTOGLHIXNZTAZ-CABCVRRESA-N 2 2 291.395 0.472 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@@H]1CO)c1ccccc1 ZINC000934017405 615973815 /nfs/dbraw/zinc/97/38/15/615973815.db2.gz QSTOGLHIXNZTAZ-CABCVRRESA-N 2 2 291.395 0.472 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000875344490 615977834 /nfs/dbraw/zinc/97/78/34/615977834.db2.gz ANOIOGRYWUGZRF-JHJVBQTASA-N 2 2 291.399 0.980 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H](O)COCc3ccco3)C[C@H]21 ZINC000931283684 615998003 /nfs/dbraw/zinc/99/80/03/615998003.db2.gz WYLLTVOYWRFZJA-RZFFKMDDSA-N 2 2 280.368 0.649 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)COCc3ccco3)C[C@H]21 ZINC000931283684 615998006 /nfs/dbraw/zinc/99/80/06/615998006.db2.gz WYLLTVOYWRFZJA-RZFFKMDDSA-N 2 2 280.368 0.649 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H](O)COC[C@@H]3CCCO3)C[C@H]21 ZINC000931283341 615998525 /nfs/dbraw/zinc/99/85/25/615998525.db2.gz UOKVTFHISJQDOY-BTFPBAQTSA-N 2 2 284.400 0.035 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H](O)COC[C@@H]3CCCO3)C[C@H]21 ZINC000931283341 615998528 /nfs/dbraw/zinc/99/85/28/615998528.db2.gz UOKVTFHISJQDOY-BTFPBAQTSA-N 2 2 284.400 0.035 20 0 CCADLP CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)O1 ZINC000925629653 616002527 /nfs/dbraw/zinc/00/25/27/616002527.db2.gz LXJSAIBBZAHQPJ-HZSPNIEDSA-N 2 2 295.427 0.887 20 0 CCADLP CN(C)c1cc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)nc[nH+]1 ZINC000894621425 616007014 /nfs/dbraw/zinc/00/70/14/616007014.db2.gz ABAWMHLQXIAQMA-CYBMUJFWSA-N 2 2 291.399 0.578 20 0 CCADLP CN(C)c1cc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)nc[nH+]1 ZINC000894621425 616007016 /nfs/dbraw/zinc/00/70/16/616007016.db2.gz ABAWMHLQXIAQMA-CYBMUJFWSA-N 2 2 291.399 0.578 20 0 CCADLP CN(C)c1[nH+]cc(C[NH+]2CCC3(CC2)OCCO3)n1C ZINC000822442337 616035450 /nfs/dbraw/zinc/03/54/50/616035450.db2.gz BZDWVCMOZUATFD-UHFFFAOYSA-N 2 2 280.372 0.825 20 0 CCADLP C[N@H+](CC(=O)NCc1cccs1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923316075 616048182 /nfs/dbraw/zinc/04/81/82/616048182.db2.gz QCYXONGFUHXOTR-DLOVCJGASA-N 2 2 283.397 0.147 20 0 CCADLP C[N@@H+](CC(=O)NCc1cccs1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923316075 616048183 /nfs/dbraw/zinc/04/81/83/616048183.db2.gz QCYXONGFUHXOTR-DLOVCJGASA-N 2 2 283.397 0.147 20 0 CCADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)C[N@H+](C)C1CCC1 ZINC000898890676 616048731 /nfs/dbraw/zinc/04/87/31/616048731.db2.gz AQEBVHHMEHUMNW-NSHDSACASA-N 2 2 266.345 0.054 20 0 CCADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)C[N@@H+](C)C1CCC1 ZINC000898890676 616048732 /nfs/dbraw/zinc/04/87/32/616048732.db2.gz AQEBVHHMEHUMNW-NSHDSACASA-N 2 2 266.345 0.054 20 0 CCADLP C[N@H+](CCF)[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000971818182 616078651 /nfs/dbraw/zinc/07/86/51/616078651.db2.gz MWLWXBAVIYEXKS-GXTWGEPZSA-N 2 2 294.374 0.948 20 0 CCADLP C[N@@H+](CCF)[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000971818182 616078652 /nfs/dbraw/zinc/07/86/52/616078652.db2.gz MWLWXBAVIYEXKS-GXTWGEPZSA-N 2 2 294.374 0.948 20 0 CCADLP C[N@H+](CCNc1[nH]c2ccccc2[nH+]1)CCOCCO ZINC000882952509 616097718 /nfs/dbraw/zinc/09/77/18/616097718.db2.gz WWZWKOMPUXVJFJ-UHFFFAOYSA-N 2 2 278.356 0.916 20 0 CCADLP C[N@@H+](CCNc1[nH]c2ccccc2[nH+]1)CCOCCO ZINC000882952509 616097720 /nfs/dbraw/zinc/09/77/20/616097720.db2.gz WWZWKOMPUXVJFJ-UHFFFAOYSA-N 2 2 278.356 0.916 20 0 CCADLP C[N@H+](CCO)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000971787014 616111224 /nfs/dbraw/zinc/11/12/24/616111224.db2.gz DSRFSNMITKNVOD-GFCCVEGCSA-N 2 2 288.351 0.702 20 0 CCADLP C[N@@H+](CCO)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000971787014 616111225 /nfs/dbraw/zinc/11/12/25/616111225.db2.gz DSRFSNMITKNVOD-GFCCVEGCSA-N 2 2 288.351 0.702 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1C[C@@H](O)CC2(CCOCC2)C1)C1CC1 ZINC000880584764 616131636 /nfs/dbraw/zinc/13/16/36/616131636.db2.gz MGRJGBNNSCFGSW-LSDHHAIUSA-N 2 2 298.427 0.305 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1C[C@@H](O)CC2(CCOCC2)C1)C1CC1 ZINC000880584764 616131637 /nfs/dbraw/zinc/13/16/37/616131637.db2.gz MGRJGBNNSCFGSW-LSDHHAIUSA-N 2 2 298.427 0.305 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1)C1CC1 ZINC000880584764 616131638 /nfs/dbraw/zinc/13/16/38/616131638.db2.gz MGRJGBNNSCFGSW-LSDHHAIUSA-N 2 2 298.427 0.305 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1C[C@@H](O)CC2(CCOCC2)C1)C1CC1 ZINC000880584764 616131639 /nfs/dbraw/zinc/13/16/39/616131639.db2.gz MGRJGBNNSCFGSW-LSDHHAIUSA-N 2 2 298.427 0.305 20 0 CCADLP C[N@H+](C[C@@H]1CCOC1)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980539678 616145005 /nfs/dbraw/zinc/14/50/05/616145005.db2.gz UGTXTWGSEFDRGH-KBPBESRZSA-N 2 2 292.383 0.452 20 0 CCADLP C[N@@H+](C[C@@H]1CCOC1)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980539678 616145006 /nfs/dbraw/zinc/14/50/06/616145006.db2.gz UGTXTWGSEFDRGH-KBPBESRZSA-N 2 2 292.383 0.452 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1C[C@@H](O)CC2(CCOCC2)C1)C1CC1 ZINC000880584762 616149391 /nfs/dbraw/zinc/14/93/91/616149391.db2.gz MGRJGBNNSCFGSW-GJZGRUSLSA-N 2 2 298.427 0.305 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1C[C@@H](O)CC2(CCOCC2)C1)C1CC1 ZINC000880584762 616149392 /nfs/dbraw/zinc/14/93/92/616149392.db2.gz MGRJGBNNSCFGSW-GJZGRUSLSA-N 2 2 298.427 0.305 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1)C1CC1 ZINC000880584762 616149394 /nfs/dbraw/zinc/14/93/94/616149394.db2.gz MGRJGBNNSCFGSW-GJZGRUSLSA-N 2 2 298.427 0.305 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1C[C@@H](O)CC2(CCOCC2)C1)C1CC1 ZINC000880584762 616149395 /nfs/dbraw/zinc/14/93/95/616149395.db2.gz MGRJGBNNSCFGSW-GJZGRUSLSA-N 2 2 298.427 0.305 20 0 CCADLP CN(C(=O)CC1COC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900671576 616172282 /nfs/dbraw/zinc/17/22/82/616172282.db2.gz ZOCZXWPCENEZNR-OAHLLOKOSA-N 2 2 295.427 0.650 20 0 CCADLP CN(C(=O)CC1COC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900671576 616172283 /nfs/dbraw/zinc/17/22/83/616172283.db2.gz ZOCZXWPCENEZNR-OAHLLOKOSA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCCCC[NH3+])C2)CC1 ZINC000829484847 616172478 /nfs/dbraw/zinc/17/24/78/616172478.db2.gz ZFZAVJFQGWLLLI-CQSZACIVSA-N 3 2 296.459 0.790 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCCCC[NH3+])C2)CC1 ZINC000829484847 616172479 /nfs/dbraw/zinc/17/24/79/616172479.db2.gz ZFZAVJFQGWLLLI-CQSZACIVSA-N 3 2 296.459 0.790 20 0 CCADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCOC[C@@H]2C2CCC2)CC1 ZINC000878762907 616173173 /nfs/dbraw/zinc/17/31/73/616173173.db2.gz NMENFDBYLGTQRV-OAHLLOKOSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC(NC(=O)C[N@H+]2CCOC[C@@H]2C2CCC2)CC1 ZINC000878762907 616173174 /nfs/dbraw/zinc/17/31/74/616173174.db2.gz NMENFDBYLGTQRV-OAHLLOKOSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC(NC(=S)NCCCn2cc[nH+]c2)CC1 ZINC000920307142 616174251 /nfs/dbraw/zinc/17/42/51/616174251.db2.gz VIZAZRNCAPZQAU-UHFFFAOYSA-N 2 2 281.429 0.832 20 0 CCADLP C[NH+]1CCC2(CCN2C(=O)NCCn2cc[nH+]c2)CC1 ZINC000891558438 616176716 /nfs/dbraw/zinc/17/67/16/616176716.db2.gz JOUUSXLUGICSMZ-UHFFFAOYSA-N 2 2 277.372 0.763 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC(=O)NC(N)=O ZINC000880130451 616199108 /nfs/dbraw/zinc/19/91/08/616199108.db2.gz FPVAAEZOWLIXPK-WDEREUQCSA-N 2 2 268.361 0.130 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC(=O)NC(N)=O ZINC000880130451 616199109 /nfs/dbraw/zinc/19/91/09/616199109.db2.gz FPVAAEZOWLIXPK-WDEREUQCSA-N 2 2 268.361 0.130 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCC(=O)NC(N)=O ZINC000880130451 616199110 /nfs/dbraw/zinc/19/91/10/616199110.db2.gz FPVAAEZOWLIXPK-WDEREUQCSA-N 2 2 268.361 0.130 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCC(=O)NC(N)=O ZINC000880130451 616199111 /nfs/dbraw/zinc/19/91/11/616199111.db2.gz FPVAAEZOWLIXPK-WDEREUQCSA-N 2 2 268.361 0.130 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCC(=O)NC(N)=O ZINC000880130445 616200506 /nfs/dbraw/zinc/20/05/06/616200506.db2.gz FPVAAEZOWLIXPK-GHMZBOCLSA-N 2 2 268.361 0.130 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCC(=O)NC(N)=O ZINC000880130445 616200507 /nfs/dbraw/zinc/20/05/07/616200507.db2.gz FPVAAEZOWLIXPK-GHMZBOCLSA-N 2 2 268.361 0.130 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCC(=O)NC(N)=O ZINC000880130445 616200508 /nfs/dbraw/zinc/20/05/08/616200508.db2.gz FPVAAEZOWLIXPK-GHMZBOCLSA-N 2 2 268.361 0.130 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCCC(=O)NC(N)=O ZINC000880130445 616200509 /nfs/dbraw/zinc/20/05/09/616200509.db2.gz FPVAAEZOWLIXPK-GHMZBOCLSA-N 2 2 268.361 0.130 20 0 CCADLP C[N@@H+]1CCC[C@H](CCNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000868850393 616204281 /nfs/dbraw/zinc/20/42/81/616204281.db2.gz TUBWQZOULXKIBX-SJDLMVEWSA-N 2 2 295.427 0.723 20 0 CCADLP C[N@H+]1CCC[C@H](CCNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000868850393 616204282 /nfs/dbraw/zinc/20/42/82/616204282.db2.gz TUBWQZOULXKIBX-SJDLMVEWSA-N 2 2 295.427 0.723 20 0 CCADLP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCC(=O)NC1=O ZINC000799124874 616204815 /nfs/dbraw/zinc/20/48/15/616204815.db2.gz WQFVDTYINVFDPU-WDEREUQCSA-N 2 2 253.346 0.065 20 0 CCADLP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCC(=O)NC1=O ZINC000799124874 616204816 /nfs/dbraw/zinc/20/48/16/616204816.db2.gz WQFVDTYINVFDPU-WDEREUQCSA-N 2 2 253.346 0.065 20 0 CCADLP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCC(=O)NC1=O ZINC000799124874 616204817 /nfs/dbraw/zinc/20/48/17/616204817.db2.gz WQFVDTYINVFDPU-WDEREUQCSA-N 2 2 253.346 0.065 20 0 CCADLP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCC(=O)NC1=O ZINC000799124874 616204818 /nfs/dbraw/zinc/20/48/18/616204818.db2.gz WQFVDTYINVFDPU-WDEREUQCSA-N 2 2 253.346 0.065 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615548406 616209348 /nfs/dbraw/zinc/20/93/48/616209348.db2.gz OUIRZJAIDYONBC-KGLIPLIRSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615548406 616209349 /nfs/dbraw/zinc/20/93/49/616209349.db2.gz OUIRZJAIDYONBC-KGLIPLIRSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000898207920 616212240 /nfs/dbraw/zinc/21/22/40/616212240.db2.gz UVHPZXXRHYUSHV-BFHYXJOUSA-N 2 2 295.427 0.696 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000898207920 616212241 /nfs/dbraw/zinc/21/22/41/616212241.db2.gz UVHPZXXRHYUSHV-BFHYXJOUSA-N 2 2 295.427 0.696 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000898207921 616212738 /nfs/dbraw/zinc/21/27/38/616212738.db2.gz UVHPZXXRHYUSHV-IHRRRGAJSA-N 2 2 295.427 0.696 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000898207921 616212739 /nfs/dbraw/zinc/21/27/39/616212739.db2.gz UVHPZXXRHYUSHV-IHRRRGAJSA-N 2 2 295.427 0.696 20 0 CCADLP C[N@@H+]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1CO ZINC000913556159 616220819 /nfs/dbraw/zinc/22/08/19/616220819.db2.gz RXNMNRNMZAPHPC-ZDUSSCGKSA-N 2 2 283.416 0.386 20 0 CCADLP C[N@H+]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1CO ZINC000913556159 616220820 /nfs/dbraw/zinc/22/08/20/616220820.db2.gz RXNMNRNMZAPHPC-ZDUSSCGKSA-N 2 2 283.416 0.386 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@@H]2CCCO)CC1 ZINC000924841532 616223772 /nfs/dbraw/zinc/22/37/72/616223772.db2.gz JWQAJKRCLYWUJC-HUUCEWRRSA-N 2 2 297.443 0.681 20 0 CCADLP C[N@@H+]1CCN(Cc2cccc3c2CC[NH2+]C3)[C@H](C[NH3+])C1 ZINC000903918403 616245615 /nfs/dbraw/zinc/24/56/15/616245615.db2.gz YPQAPHHJZXHVEJ-OAHLLOKOSA-N 3 2 274.412 0.407 20 0 CCADLP C[N@H+]1CCN(Cc2cccc3c2CC[NH2+]C3)[C@H](C[NH3+])C1 ZINC000903918403 616245616 /nfs/dbraw/zinc/24/56/16/616245616.db2.gz YPQAPHHJZXHVEJ-OAHLLOKOSA-N 3 2 274.412 0.407 20 0 CCADLP CN1CCOC[C@]1(CO)C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926891696 616250738 /nfs/dbraw/zinc/25/07/38/616250738.db2.gz IZQWNHLOUALKKI-HRCADAONSA-N 2 2 297.443 0.286 20 0 CCADLP CN1CCOC[C@]1(CO)C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926891696 616250739 /nfs/dbraw/zinc/25/07/39/616250739.db2.gz IZQWNHLOUALKKI-HRCADAONSA-N 2 2 297.443 0.286 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH+]3CCSC[C@H]23)C1 ZINC000928094750 616259657 /nfs/dbraw/zinc/25/96/57/616259657.db2.gz LUUDLWMDKPHNCZ-UPJWGTAASA-N 2 2 299.440 0.013 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH+]3CCSC[C@H]23)C1 ZINC000928094750 616259658 /nfs/dbraw/zinc/25/96/58/616259658.db2.gz LUUDLWMDKPHNCZ-UPJWGTAASA-N 2 2 299.440 0.013 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)C1 ZINC000928094750 616259659 /nfs/dbraw/zinc/25/96/59/616259659.db2.gz LUUDLWMDKPHNCZ-UPJWGTAASA-N 2 2 299.440 0.013 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)C1 ZINC000928094750 616259660 /nfs/dbraw/zinc/25/96/60/616259660.db2.gz LUUDLWMDKPHNCZ-UPJWGTAASA-N 2 2 299.440 0.013 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000928094748 616260043 /nfs/dbraw/zinc/26/00/43/616260043.db2.gz LUUDLWMDKPHNCZ-AVGNSLFASA-N 2 2 299.440 0.013 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000928094748 616260044 /nfs/dbraw/zinc/26/00/44/616260044.db2.gz LUUDLWMDKPHNCZ-AVGNSLFASA-N 2 2 299.440 0.013 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)C1 ZINC000928094748 616260045 /nfs/dbraw/zinc/26/00/45/616260045.db2.gz LUUDLWMDKPHNCZ-AVGNSLFASA-N 2 2 299.440 0.013 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)C1 ZINC000928094748 616260046 /nfs/dbraw/zinc/26/00/46/616260046.db2.gz LUUDLWMDKPHNCZ-AVGNSLFASA-N 2 2 299.440 0.013 20 0 CCADLP CNc1ncc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)s1 ZINC000857309251 616274820 /nfs/dbraw/zinc/27/48/20/616274820.db2.gz XQSCXKLOFGWTBM-UHFFFAOYSA-N 2 2 299.444 0.798 20 0 CCADLP CNc1ncc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)s1 ZINC000857309251 616274824 /nfs/dbraw/zinc/27/48/24/616274824.db2.gz XQSCXKLOFGWTBM-UHFFFAOYSA-N 2 2 299.444 0.798 20 0 CCADLP C[N@@H+]1CC[C@@H]1CNc1cc[nH+]c(N2CCOCC2)n1 ZINC000895769744 616304667 /nfs/dbraw/zinc/30/46/67/616304667.db2.gz HHAALOOPKPAEID-LLVKDONJSA-N 2 2 263.345 0.429 20 0 CCADLP C[N@H+]1CC[C@@H]1CNc1cc[nH+]c(N2CCOCC2)n1 ZINC000895769744 616304672 /nfs/dbraw/zinc/30/46/72/616304672.db2.gz HHAALOOPKPAEID-LLVKDONJSA-N 2 2 263.345 0.429 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]21 ZINC000827277476 616314058 /nfs/dbraw/zinc/31/40/58/616314058.db2.gz LZIQWRMDPMXDNH-DGCLKSJQSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]21 ZINC000827277476 616314061 /nfs/dbraw/zinc/31/40/61/616314061.db2.gz LZIQWRMDPMXDNH-DGCLKSJQSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@H]21 ZINC000827277476 616314065 /nfs/dbraw/zinc/31/40/65/616314065.db2.gz LZIQWRMDPMXDNH-DGCLKSJQSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@H]21 ZINC000827277476 616314071 /nfs/dbraw/zinc/31/40/71/616314071.db2.gz LZIQWRMDPMXDNH-DGCLKSJQSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000924758238 616364617 /nfs/dbraw/zinc/36/46/17/616364617.db2.gz UCODMZOFARYOGX-MBOZISHXSA-N 3 2 267.417 0.373 20 0 CCADLP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000924758238 616364622 /nfs/dbraw/zinc/36/46/22/616364622.db2.gz UCODMZOFARYOGX-MBOZISHXSA-N 3 2 267.417 0.373 20 0 CCADLP C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1C[NH+](C)C2)[C@H]1CCSC1 ZINC000913536288 616366354 /nfs/dbraw/zinc/36/63/54/616366354.db2.gz PTXINGJHOVOBDJ-XQQFMLRXSA-N 2 2 283.441 0.729 20 0 CCADLP C[N@@H+](CC(=O)N1[C@@H]2CC[C@H]1C[NH+](C)C2)[C@H]1CCSC1 ZINC000913536288 616366358 /nfs/dbraw/zinc/36/63/58/616366358.db2.gz PTXINGJHOVOBDJ-XQQFMLRXSA-N 2 2 283.441 0.729 20 0 CCADLP C[NH+](CC(=O)N1[C@@H]2CC[C@H]1C[N@@H+](C)C2)[C@H]1CCSC1 ZINC000913536288 616366362 /nfs/dbraw/zinc/36/63/62/616366362.db2.gz PTXINGJHOVOBDJ-XQQFMLRXSA-N 2 2 283.441 0.729 20 0 CCADLP C[NH+](CC(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)C2)[C@H]1CCSC1 ZINC000913536288 616366366 /nfs/dbraw/zinc/36/63/66/616366366.db2.gz PTXINGJHOVOBDJ-XQQFMLRXSA-N 2 2 283.441 0.729 20 0 CCADLP COC(=O)C1=CC[C@H]([NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)C1 ZINC000863542625 616432124 /nfs/dbraw/zinc/43/21/24/616432124.db2.gz RBMKFYXVZQQFOI-WCFLWFBJSA-N 2 2 268.357 0.605 20 0 CCADLP C[N@@H+]1CC[C@H]2C[NH+](CCn3ccccc3=O)CC[C@H]21 ZINC000879574248 616444294 /nfs/dbraw/zinc/44/42/94/616444294.db2.gz YCQHBIAUHJESCW-UONOGXRCSA-N 2 2 261.369 0.874 20 0 CCADLP C[N@H+]1CC[C@H]2C[NH+](CCn3ccccc3=O)CC[C@H]21 ZINC000879574248 616444297 /nfs/dbraw/zinc/44/42/97/616444297.db2.gz YCQHBIAUHJESCW-UONOGXRCSA-N 2 2 261.369 0.874 20 0 CCADLP C[NH+]1CC[C@H]2C[N@H+](CCn3ccccc3=O)CC[C@H]21 ZINC000879574248 616444300 /nfs/dbraw/zinc/44/43/00/616444300.db2.gz YCQHBIAUHJESCW-UONOGXRCSA-N 2 2 261.369 0.874 20 0 CCADLP C[NH+]1CC[C@H]2C[N@@H+](CCn3ccccc3=O)CC[C@H]21 ZINC000879574248 616444303 /nfs/dbraw/zinc/44/43/03/616444303.db2.gz YCQHBIAUHJESCW-UONOGXRCSA-N 2 2 261.369 0.874 20 0 CCADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+]([C@@H]1CCC(=O)NC1=O)C2 ZINC000852106462 616457579 /nfs/dbraw/zinc/45/75/79/616457579.db2.gz YTJODUNFRXFRGN-BXUZGUMPSA-N 2 2 265.357 0.209 20 0 CCADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+]([C@@H]1CCC(=O)NC1=O)C2 ZINC000852106462 616457580 /nfs/dbraw/zinc/45/75/80/616457580.db2.gz YTJODUNFRXFRGN-BXUZGUMPSA-N 2 2 265.357 0.209 20 0 CCADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC000852106462 616457581 /nfs/dbraw/zinc/45/75/81/616457581.db2.gz YTJODUNFRXFRGN-BXUZGUMPSA-N 2 2 265.357 0.209 20 0 CCADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC000852106462 616457582 /nfs/dbraw/zinc/45/75/82/616457582.db2.gz YTJODUNFRXFRGN-BXUZGUMPSA-N 2 2 265.357 0.209 20 0 CCADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000900563042 616495258 /nfs/dbraw/zinc/49/52/58/616495258.db2.gz OJDPUOBJBWWPLF-GZBFAFLISA-N 2 2 292.383 0.502 20 0 CCADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000900563042 616495261 /nfs/dbraw/zinc/49/52/61/616495261.db2.gz OJDPUOBJBWWPLF-GZBFAFLISA-N 2 2 292.383 0.502 20 0 CCADLP COC(=O)[C@@H]1[C@@H](C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1(F)F ZINC000894581368 616504022 /nfs/dbraw/zinc/50/40/22/616504022.db2.gz PWRVGZVCJAWDTO-YTWAJWBKSA-N 2 2 274.311 0.534 20 0 CCADLP COC(=O)[C@@H]1[C@@H](C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1(F)F ZINC000894581368 616504026 /nfs/dbraw/zinc/50/40/26/616504026.db2.gz PWRVGZVCJAWDTO-YTWAJWBKSA-N 2 2 274.311 0.534 20 0 CCADLP COC(=O)[C@@H]1[C@@H](C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C1(F)F ZINC000894581368 616504031 /nfs/dbraw/zinc/50/40/31/616504031.db2.gz PWRVGZVCJAWDTO-YTWAJWBKSA-N 2 2 274.311 0.534 20 0 CCADLP COC(=O)[C@@H]1[C@@H](C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C1(F)F ZINC000894581368 616504036 /nfs/dbraw/zinc/50/40/36/616504036.db2.gz PWRVGZVCJAWDTO-YTWAJWBKSA-N 2 2 274.311 0.534 20 0 CCADLP COC(=O)[C@@H]1[C@@H](C[NH2+]CC[NH+]2CCCC2)C1(F)F ZINC000894382735 616504511 /nfs/dbraw/zinc/50/45/11/616504511.db2.gz ZXYQSEPKHRPOJW-ZJUUUORDSA-N 2 2 262.300 0.726 20 0 CCADLP COCCOCCOCC[N@@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903804435 616551311 /nfs/dbraw/zinc/55/13/11/616551311.db2.gz GKSJKLYZECVIRV-LSDHHAIUSA-N 2 2 286.416 0.869 20 0 CCADLP COCCOCCOCC[N@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903804435 616551316 /nfs/dbraw/zinc/55/13/16/616551316.db2.gz GKSJKLYZECVIRV-LSDHHAIUSA-N 2 2 286.416 0.869 20 0 CCADLP COCCOC[C@@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000893707621 616558607 /nfs/dbraw/zinc/55/86/07/616558607.db2.gz WGPXGAYODUSJJJ-VXGBXAGGSA-N 2 2 253.346 0.839 20 0 CCADLP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880133839 616584258 /nfs/dbraw/zinc/58/42/58/616584258.db2.gz QRUDUECDEFWODN-QWHCGFSZSA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880133839 616584262 /nfs/dbraw/zinc/58/42/62/616584262.db2.gz QRUDUECDEFWODN-QWHCGFSZSA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)CN(C)C(=O)CC[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880133839 616584265 /nfs/dbraw/zinc/58/42/65/616584265.db2.gz QRUDUECDEFWODN-QWHCGFSZSA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)CN(C)C(=O)CC[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880133839 616584269 /nfs/dbraw/zinc/58/42/69/616584269.db2.gz QRUDUECDEFWODN-QWHCGFSZSA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H]([NH3+])CC2CC2)CC1 ZINC000884315903 616686286 /nfs/dbraw/zinc/68/62/86/616686286.db2.gz DPSBXWSLZXJOAA-AAEUAGOBSA-N 2 2 297.399 0.210 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886865874 616709692 /nfs/dbraw/zinc/70/96/92/616709692.db2.gz WZMPZKBGIYDPEG-FZMZJTMJSA-N 2 2 282.388 0.296 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886865874 616709693 /nfs/dbraw/zinc/70/96/93/616709693.db2.gz WZMPZKBGIYDPEG-FZMZJTMJSA-N 2 2 282.388 0.296 20 0 CCADLP COC[C@@H](C)[NH+]1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000948742952 616803884 /nfs/dbraw/zinc/80/38/84/616803884.db2.gz YFLBQNZPPIUDHX-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP COC(=O)[C@]12C[C@H]1CCC[N@@H+]2C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000923551102 616806117 /nfs/dbraw/zinc/80/61/17/616806117.db2.gz JKOYTBAQJIDKIM-JMSVASOKSA-N 2 2 280.368 0.535 20 0 CCADLP COC(=O)[C@]12C[C@H]1CCC[N@H+]2C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000923551102 616806120 /nfs/dbraw/zinc/80/61/20/616806120.db2.gz JKOYTBAQJIDKIM-JMSVASOKSA-N 2 2 280.368 0.535 20 0 CCADLP COC(=O)N1CCC[C@H]([NH2+][C@H](C)C[C@H]2COCC[NH2+]2)C1 ZINC000817903445 616839862 /nfs/dbraw/zinc/83/98/62/616839862.db2.gz PCYYVSAGPAIPMU-AGIUHOORSA-N 2 2 285.388 0.574 20 0 CCADLP C[NH2+]CCN(C(=O)N[C@@H](C)Cn1cc[nH+]c1)C(C)C ZINC000905004189 616951292 /nfs/dbraw/zinc/95/12/92/616951292.db2.gz CYNQCVYOLGQJKW-LBPRGKRZSA-N 2 2 267.377 0.911 20 0 CCADLP C[NH2+]CCOc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000884241169 616971211 /nfs/dbraw/zinc/97/12/11/616971211.db2.gz SAHFHYMVEODJTB-UHFFFAOYSA-N 2 2 277.368 0.672 20 0 CCADLP CNS(=O)(=O)CCC[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000883458774 617008321 /nfs/dbraw/zinc/00/83/21/617008321.db2.gz WWSITUTWIJRWCS-UHFFFAOYSA-N 2 2 275.418 0.144 20 0 CCADLP CNS(=O)(=O)CCC[N@H+]1CC[NH2+]CCC12CCC2 ZINC000883458774 617008327 /nfs/dbraw/zinc/00/83/27/617008327.db2.gz WWSITUTWIJRWCS-UHFFFAOYSA-N 2 2 275.418 0.144 20 0 CCADLP CON(C)C(=O)CC[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880135925 617008715 /nfs/dbraw/zinc/00/87/15/617008715.db2.gz BYZQUUHQCDZMGU-NEPJUHHUSA-N 2 2 255.362 0.565 20 0 CCADLP CON(C)C(=O)CC[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880135925 617008720 /nfs/dbraw/zinc/00/87/20/617008720.db2.gz BYZQUUHQCDZMGU-NEPJUHHUSA-N 2 2 255.362 0.565 20 0 CCADLP CON(C)C(=O)CC[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880135925 617008727 /nfs/dbraw/zinc/00/87/27/617008727.db2.gz BYZQUUHQCDZMGU-NEPJUHHUSA-N 2 2 255.362 0.565 20 0 CCADLP CON(C)C(=O)CC[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880135925 617008733 /nfs/dbraw/zinc/00/87/33/617008733.db2.gz BYZQUUHQCDZMGU-NEPJUHHUSA-N 2 2 255.362 0.565 20 0 CCADLP CON(C)C(=O)CC[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000818951835 617013516 /nfs/dbraw/zinc/01/35/16/617013516.db2.gz RQCOHWRGFHOHJL-UHFFFAOYSA-N 2 2 280.372 0.761 20 0 CCADLP COCC[NH+](CCOC)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903872542 617022679 /nfs/dbraw/zinc/02/26/79/617022679.db2.gz GNCGFFWTULIGGW-ZDUSSCGKSA-N 2 2 297.403 0.297 20 0 CCADLP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000884185507 617044189 /nfs/dbraw/zinc/04/41/89/617044189.db2.gz YHTFFRBIMJXDDW-ZDUSSCGKSA-N 2 2 253.390 0.927 20 0 CCADLP CNc1cc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)nc[nH+]1 ZINC000892320400 617059290 /nfs/dbraw/zinc/05/92/90/617059290.db2.gz VUJIIYVDIKIPCD-NEPJUHHUSA-N 2 2 277.372 0.554 20 0 CCADLP CO[C@H](C)C[N@@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000982035838 617060797 /nfs/dbraw/zinc/06/07/97/617060797.db2.gz RVBYRIAQVYMEFH-GFCCVEGCSA-N 2 2 280.372 0.521 20 0 CCADLP CO[C@H](C)C[N@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000982035838 617060799 /nfs/dbraw/zinc/06/07/99/617060799.db2.gz RVBYRIAQVYMEFH-GFCCVEGCSA-N 2 2 280.372 0.521 20 0 CCADLP CO[C@H](C)C[NH+]1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000957511627 617064404 /nfs/dbraw/zinc/06/44/04/617064404.db2.gz HDFXEYQKBCSZLM-CYBMUJFWSA-N 2 2 294.399 0.532 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@@H+](C/C=C/Cl)C[C@H]21 ZINC001026153582 625344346 /nfs/dbraw/zinc/34/43/46/625344346.db2.gz DPVCMOGLVGKXQN-KQICPDCUSA-N 2 2 280.759 0.682 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@H+](C/C=C/Cl)C[C@H]21 ZINC001026153582 625344347 /nfs/dbraw/zinc/34/43/47/625344347.db2.gz DPVCMOGLVGKXQN-KQICPDCUSA-N 2 2 280.759 0.682 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC000925522970 625360041 /nfs/dbraw/zinc/36/00/41/625360041.db2.gz KDTREQGWYXRRMH-SMDDNHRTSA-N 2 2 277.368 0.781 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000925549516 625403507 /nfs/dbraw/zinc/40/35/07/625403507.db2.gz MDYJHPGJXFTOQV-MGPQQGTHSA-N 3 2 254.422 0.352 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CC[C@@H]([NH2+]CCF)[C@H]2C1 ZINC001026400005 625431671 /nfs/dbraw/zinc/43/16/71/625431671.db2.gz BVGGAAFUNAZVCT-FPMFFAJLSA-N 2 2 294.374 0.759 20 0 CCADLP CS(=O)(=O)C1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CCCC1 ZINC000925670002 625490369 /nfs/dbraw/zinc/49/03/69/625490369.db2.gz FIAMBDBGBSVDGU-MEBFFEOJSA-N 2 2 298.452 0.930 20 0 CCADLP C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C1(S(C)(=O)=O)CC1 ZINC000925671069 625492414 /nfs/dbraw/zinc/49/24/14/625492414.db2.gz PYFWGHMACNKJEO-RJRAAQABSA-N 2 2 284.425 0.538 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH+](CCF)C2)C1 ZINC001023291266 622983227 /nfs/dbraw/zinc/98/32/27/622983227.db2.gz HBBBDHIAQFGVCW-CHWSQXEVSA-N 2 2 287.379 0.115 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH+](CCF)C2)C1 ZINC001023291266 622983246 /nfs/dbraw/zinc/98/32/46/622983246.db2.gz HBBBDHIAQFGVCW-CHWSQXEVSA-N 2 2 287.379 0.115 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCC[N@H+](CCF)C2)C1 ZINC001023291266 622983258 /nfs/dbraw/zinc/98/32/58/622983258.db2.gz HBBBDHIAQFGVCW-CHWSQXEVSA-N 2 2 287.379 0.115 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2CCC[N@@H+](CCF)C2)C1 ZINC001023291266 622983261 /nfs/dbraw/zinc/98/32/61/622983261.db2.gz HBBBDHIAQFGVCW-CHWSQXEVSA-N 2 2 287.379 0.115 20 0 CCADLP COCC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000052808378 623487935 /nfs/dbraw/zinc/48/79/35/623487935.db2.gz KMZHMDYGYVUPAX-ZDUSSCGKSA-N 2 2 297.424 0.756 20 0 CCADLP C[C@@H]1CCC[N@@H+]1CCNC(=O)NCC[NH+]1CCO[C@H](C)C1 ZINC000892595851 623571263 /nfs/dbraw/zinc/57/12/63/623571263.db2.gz LISJQJJBWQSMMU-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H]1CCC[N@H+]1CCNC(=O)NCC[NH+]1CCO[C@H](C)C1 ZINC000892595851 623571270 /nfs/dbraw/zinc/57/12/70/623571270.db2.gz LISJQJJBWQSMMU-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H]1CCC[NH+]1CCNC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000892595851 623571276 /nfs/dbraw/zinc/57/12/76/623571276.db2.gz LISJQJJBWQSMMU-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H]1CCC[NH+]1CCNC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000892595851 623571282 /nfs/dbraw/zinc/57/12/82/623571282.db2.gz LISJQJJBWQSMMU-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP [NH3+]CC[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000310958270 623605109 /nfs/dbraw/zinc/60/51/09/623605109.db2.gz AILKKKMSDWEQNA-ZIAGYGMSSA-N 3 2 255.406 0.646 20 0 CCADLP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000310958270 623605112 /nfs/dbraw/zinc/60/51/12/623605112.db2.gz AILKKKMSDWEQNA-ZIAGYGMSSA-N 3 2 255.406 0.646 20 0 CCADLP O=C(N[C@H]1CCC[N@@H+](CCO)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001007680995 623809278 /nfs/dbraw/zinc/80/92/78/623809278.db2.gz SDTBSEIGDYALMP-STQMWFEESA-N 2 2 292.383 0.018 20 0 CCADLP O=C(N[C@H]1CCC[N@H+](CCO)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001007680995 623809282 /nfs/dbraw/zinc/80/92/82/623809282.db2.gz SDTBSEIGDYALMP-STQMWFEESA-N 2 2 292.383 0.018 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]Cc2ccon2)C1 ZINC001019777011 623903716 /nfs/dbraw/zinc/90/37/16/623903716.db2.gz PATOCVFSJALZNX-ZDUSSCGKSA-N 2 2 289.339 0.570 20 0 CCADLP C[C@H]([NH2+]CC1([NH3+])CC1)c1cccc(S(N)(=O)=O)c1 ZINC000902414736 634386204 /nfs/dbraw/zinc/38/62/04/634386204.db2.gz ZXBPVCITDQGFFX-VIFPVBQESA-N 2 2 269.370 0.476 20 0 CCADLP CC(C)C[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001020635215 624556399 /nfs/dbraw/zinc/55/63/99/624556399.db2.gz LEYSLHSOKPVPJD-XYPYZODXSA-N 2 2 250.346 0.845 20 0 CCADLP COc1nn(C)cc1C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000902458507 634390844 /nfs/dbraw/zinc/39/08/44/634390844.db2.gz YODPTHNKRZGMTA-MNOVXSKESA-N 2 2 250.346 0.788 20 0 CCADLP C[C@H]1CC[C@@H](C[NH2+][C@H]2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)O1 ZINC001020637499 624556783 /nfs/dbraw/zinc/55/67/83/624556783.db2.gz VPCQKQAEPCWGSX-MNXVOIDGSA-N 2 2 292.383 0.757 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]([NH2+]CCF)C1 ZINC001020981123 624635793 /nfs/dbraw/zinc/63/57/93/624635793.db2.gz ZTRNVZPLHIVETE-MGCOHNPYSA-N 2 2 254.309 0.467 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000812875643 624641236 /nfs/dbraw/zinc/64/12/36/624641236.db2.gz AEOVWFFTCYRFIQ-ZIAGYGMSSA-N 2 2 264.373 0.587 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000812875643 624641237 /nfs/dbraw/zinc/64/12/37/624641237.db2.gz AEOVWFFTCYRFIQ-ZIAGYGMSSA-N 2 2 264.373 0.587 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC000970857015 624772239 /nfs/dbraw/zinc/77/22/39/624772239.db2.gz XZFICDKAAYSUQM-ZIAGYGMSSA-N 2 2 292.383 0.643 20 0 CCADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)NCCOc2ccccc2)C1 ZINC000050248622 624804211 /nfs/dbraw/zinc/80/42/11/624804211.db2.gz SBWCWKNWVHEBSW-ZDUSSCGKSA-N 2 2 277.368 0.462 20 0 CCADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)NCCOc2ccccc2)C1 ZINC000050248622 624804217 /nfs/dbraw/zinc/80/42/17/624804217.db2.gz SBWCWKNWVHEBSW-ZDUSSCGKSA-N 2 2 277.368 0.462 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCCC(C)(C)[NH3+] ZINC000891350889 624822367 /nfs/dbraw/zinc/82/23/67/624822367.db2.gz WTVGKRFPVQKISN-LLVKDONJSA-N 2 2 272.393 0.134 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001021896025 624850465 /nfs/dbraw/zinc/85/04/65/624850465.db2.gz TXCYXAWYJVCLHM-JFGNBEQYSA-N 2 2 295.412 0.369 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001021896025 624850466 /nfs/dbraw/zinc/85/04/66/624850466.db2.gz TXCYXAWYJVCLHM-JFGNBEQYSA-N 2 2 295.412 0.369 20 0 CCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891707200 624909460 /nfs/dbraw/zinc/90/94/60/624909460.db2.gz CBNFUPIVVRHEPC-AGIUHOORSA-N 2 2 287.367 0.416 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000891895103 624977656 /nfs/dbraw/zinc/97/76/56/624977656.db2.gz BQWNPQLDPZNADC-MGPQQGTHSA-N 2 2 296.415 0.053 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000891895103 624977661 /nfs/dbraw/zinc/97/76/61/624977661.db2.gz BQWNPQLDPZNADC-MGPQQGTHSA-N 2 2 296.415 0.053 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](C[NH2+]Cc2cccnc2)C1 ZINC001027140264 625742951 /nfs/dbraw/zinc/74/29/51/625742951.db2.gz BXMHIKDQLQJYHU-CQSZACIVSA-N 2 2 299.378 0.986 20 0 CCADLP C[C@@H](O)C[N@H+](C)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001027515082 625932827 /nfs/dbraw/zinc/93/28/27/625932827.db2.gz TVXRMSILDMOTNR-KGLIPLIRSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@@H](O)C[N@@H+](C)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001027515082 625932850 /nfs/dbraw/zinc/93/28/50/625932850.db2.gz TVXRMSILDMOTNR-KGLIPLIRSA-N 2 2 294.399 0.577 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903020247 634525105 /nfs/dbraw/zinc/52/51/05/634525105.db2.gz WRDVUTOQNLSASK-LBPRGKRZSA-N 2 2 272.356 0.939 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903020247 634525111 /nfs/dbraw/zinc/52/51/11/634525111.db2.gz WRDVUTOQNLSASK-LBPRGKRZSA-N 2 2 272.356 0.939 20 0 CCADLP C[C@@H]1COC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000903392927 634557033 /nfs/dbraw/zinc/55/70/33/634557033.db2.gz BQKARGQXFOZUDA-KWCYVHTRSA-N 2 2 254.374 0.864 20 0 CCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903442228 634566380 /nfs/dbraw/zinc/56/63/80/634566380.db2.gz LHDUMNYCKYKTAU-MCIONIFRSA-N 2 2 294.443 0.127 20 0 CCADLP C[C@H](C(=O)NC1CC1)N1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903442228 634566388 /nfs/dbraw/zinc/56/63/88/634566388.db2.gz LHDUMNYCKYKTAU-MCIONIFRSA-N 2 2 294.443 0.127 20 0 CCADLP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCN(CC(F)(F)F)C(=O)C2)C1 ZINC000903455483 634572910 /nfs/dbraw/zinc/57/29/10/634572910.db2.gz WQJBAUZMGFTZEH-VHSXEESVSA-N 2 2 279.306 0.820 20 0 CCADLP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCN(CC(F)(F)F)C(=O)C2)C1 ZINC000903455483 634572921 /nfs/dbraw/zinc/57/29/21/634572921.db2.gz WQJBAUZMGFTZEH-VHSXEESVSA-N 2 2 279.306 0.820 20 0 CCADLP C[C@H]1CN(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)CCO1 ZINC000903472695 634574028 /nfs/dbraw/zinc/57/40/28/634574028.db2.gz UYLBTXPOIVXUPW-QWHCGFSZSA-N 2 2 253.390 0.581 20 0 CCADLP C[C@@H]1C[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C[C@H]1CC[NH3+] ZINC000903496776 634590068 /nfs/dbraw/zinc/59/00/68/634590068.db2.gz CUBTUYUBBTVHCQ-GHMZBOCLSA-N 2 2 275.356 0.439 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C[C@H]1CC[NH3+] ZINC000903496776 634590076 /nfs/dbraw/zinc/59/00/76/634590076.db2.gz CUBTUYUBBTVHCQ-GHMZBOCLSA-N 2 2 275.356 0.439 20 0 CCADLP C[C@@]1(C2CC[NH+](C[C@@H]3C[NH2+]CCO3)CC2)COC(=O)N1 ZINC000903563435 634607512 /nfs/dbraw/zinc/60/75/12/634607512.db2.gz CNAAIVXEMUABKK-JSGCOSHPSA-N 2 2 283.372 0.185 20 0 CCADLP C[C@@H]1C[N@H+](Cc2[nH]nc3c2COCC3)CC[C@H]1[NH3+] ZINC000903716839 634628522 /nfs/dbraw/zinc/62/85/22/634628522.db2.gz URLITDZHNXGQIZ-MWLCHTKSSA-N 2 2 250.346 0.652 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2[nH]nc3c2COCC3)CC[C@H]1[NH3+] ZINC000903716839 634628524 /nfs/dbraw/zinc/62/85/24/634628524.db2.gz URLITDZHNXGQIZ-MWLCHTKSSA-N 2 2 250.346 0.652 20 0 CCADLP Cn1cc(CN2CC[NH+](C[C@@H]3CCCC[NH2+]C3)CC2)cn1 ZINC000903742296 634638712 /nfs/dbraw/zinc/63/87/12/634638712.db2.gz WMBPOHZUERZNKW-OAHLLOKOSA-N 2 2 291.443 0.927 20 0 CCADLP C[C@H]1CC[N@H+](Cc2[nH]nc3c2COCC3)C[C@@H]1C[NH3+] ZINC000903759957 634640370 /nfs/dbraw/zinc/64/03/70/634640370.db2.gz CKPJTTSNEJLCHI-QWRGUYRKSA-N 2 2 264.373 0.899 20 0 CCADLP C[C@H]1CC[N@@H+](Cc2[nH]nc3c2COCC3)C[C@@H]1C[NH3+] ZINC000903759957 634640374 /nfs/dbraw/zinc/64/03/74/634640374.db2.gz CKPJTTSNEJLCHI-QWRGUYRKSA-N 2 2 264.373 0.899 20 0 CCADLP FC(F)[C@@H]1C[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903780858 634651067 /nfs/dbraw/zinc/65/10/67/634651067.db2.gz MRYBKGKBCLIJQC-NTZNESFSSA-N 2 2 276.327 0.721 20 0 CCADLP FC(F)[C@@H]1C[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903780858 634651074 /nfs/dbraw/zinc/65/10/74/634651074.db2.gz MRYBKGKBCLIJQC-NTZNESFSSA-N 2 2 276.327 0.721 20 0 CCADLP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CCCN1CCOCC1 ZINC000903856106 634668537 /nfs/dbraw/zinc/66/85/37/634668537.db2.gz PXNRIWKCLHQANT-UONOGXRCSA-N 2 2 253.390 0.522 20 0 CCADLP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CCCN1CCOCC1 ZINC000903856106 634668541 /nfs/dbraw/zinc/66/85/41/634668541.db2.gz PXNRIWKCLHQANT-UONOGXRCSA-N 2 2 253.390 0.522 20 0 CCADLP [NH3+]C[C@]12CC[C@H]1CCN2CCC[NH+]1CCOCC1 ZINC000903856106 634668548 /nfs/dbraw/zinc/66/85/48/634668548.db2.gz PXNRIWKCLHQANT-UONOGXRCSA-N 2 2 253.390 0.522 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C ZINC000903872700 634672869 /nfs/dbraw/zinc/67/28/69/634672869.db2.gz AGRNGFXCHRMSJK-MBNYWOFBSA-N 2 2 280.416 0.955 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C ZINC000903872700 634672873 /nfs/dbraw/zinc/67/28/73/634672873.db2.gz AGRNGFXCHRMSJK-MBNYWOFBSA-N 2 2 280.416 0.955 20 0 CCADLP C[C@@H]1CC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000903929980 634691064 /nfs/dbraw/zinc/69/10/64/634691064.db2.gz PCSDQMKCGRCWED-HZSPNIEDSA-N 3 2 292.431 0.619 20 0 CCADLP C[C@@H]1CC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000903929980 634691069 /nfs/dbraw/zinc/69/10/69/634691069.db2.gz PCSDQMKCGRCWED-HZSPNIEDSA-N 3 2 292.431 0.619 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000903964127 634701485 /nfs/dbraw/zinc/70/14/85/634701485.db2.gz MMUNVJOZFARWHR-ZWNOBZJWSA-N 2 2 273.336 0.480 20 0 CCADLP c1cn(-c2csc(C[NH2+][C@H]3CNOC3)c2)c[nH+]1 ZINC000904425478 634745091 /nfs/dbraw/zinc/74/50/91/634745091.db2.gz NVEVQOXPWPYLSI-VIFPVBQESA-N 2 2 250.327 0.927 20 0 CCADLP C[N@@H+]1CC[C@H]1CNC(=O)NCCCn1cc[nH+]c1 ZINC000905149575 634810137 /nfs/dbraw/zinc/81/01/37/634810137.db2.gz RQLMELXXYNLFSE-NSHDSACASA-N 2 2 251.334 0.277 20 0 CCADLP C[N@H+]1CC[C@H]1CNC(=O)NCCCn1cc[nH+]c1 ZINC000905149575 634810138 /nfs/dbraw/zinc/81/01/38/634810138.db2.gz RQLMELXXYNLFSE-NSHDSACASA-N 2 2 251.334 0.277 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1CCn2cc[nH+]c2C1)CC1(O)CCCC1 ZINC000905218481 634824873 /nfs/dbraw/zinc/82/48/73/634824873.db2.gz NTSZFHJMTYHGQQ-CHWSQXEVSA-N 2 2 279.384 0.844 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[C@@H]2C[N@@H+](CCO)C[C@H]2C1 ZINC000980180305 630998673 /nfs/dbraw/zinc/99/86/73/630998673.db2.gz CNAATTFPHLBZOR-JHJVBQTASA-N 2 2 292.383 0.161 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[C@@H]2C[N@H+](CCO)C[C@H]2C1 ZINC000980180305 630998685 /nfs/dbraw/zinc/99/86/85/630998685.db2.gz CNAATTFPHLBZOR-JHJVBQTASA-N 2 2 292.383 0.161 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[C@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC000980180306 630999101 /nfs/dbraw/zinc/99/91/01/630999101.db2.gz CNAATTFPHLBZOR-RWMBFGLXSA-N 2 2 292.383 0.161 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[C@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC000980180306 630999102 /nfs/dbraw/zinc/99/91/02/630999102.db2.gz CNAATTFPHLBZOR-RWMBFGLXSA-N 2 2 292.383 0.161 20 0 CCADLP C[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000980296677 631012876 /nfs/dbraw/zinc/01/28/76/631012876.db2.gz SSDBAJQPZPZFNH-JSGCOSHPSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000980296677 631012879 /nfs/dbraw/zinc/01/28/79/631012879.db2.gz SSDBAJQPZPZFNH-JSGCOSHPSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000981716908 631309288 /nfs/dbraw/zinc/30/92/88/631309288.db2.gz UUNYZWQADGGLFH-CYBMUJFWSA-N 2 2 280.372 0.188 20 0 CCADLP C[C@@H](O)C[N@H+]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000981716908 631309290 /nfs/dbraw/zinc/30/92/90/631309290.db2.gz UUNYZWQADGGLFH-CYBMUJFWSA-N 2 2 280.372 0.188 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000925827221 631350732 /nfs/dbraw/zinc/35/07/32/631350732.db2.gz SWIUZBZZWVXOLE-UONOGXRCSA-N 2 2 298.427 0.665 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[N@H+](CC2CC2)CC1 ZINC000982038140 631370789 /nfs/dbraw/zinc/37/07/89/631370789.db2.gz BQJAGZVUHWUMIE-UHFFFAOYSA-N 2 2 262.357 0.897 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[N@@H+](CC2CC2)CC1 ZINC000982038140 631370798 /nfs/dbraw/zinc/37/07/98/631370798.db2.gz BQJAGZVUHWUMIE-UHFFFAOYSA-N 2 2 262.357 0.897 20 0 CCADLP C[C@@H](CC(=O)N1CCC[N@H+](CCCO)CC1)n1cc[nH+]c1 ZINC000982050837 631372850 /nfs/dbraw/zinc/37/28/50/631372850.db2.gz GOVCICPGZWYICW-AWEZNQCLSA-N 2 2 294.399 0.751 20 0 CCADLP C[C@@H](CC(=O)N1CCC[N@@H+](CCCO)CC1)n1cc[nH+]c1 ZINC000982050837 631372858 /nfs/dbraw/zinc/37/28/58/631372858.db2.gz GOVCICPGZWYICW-AWEZNQCLSA-N 2 2 294.399 0.751 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000982086749 631373966 /nfs/dbraw/zinc/37/39/66/631373966.db2.gz JWISKTKVSGDHEB-GFCCVEGCSA-N 2 2 292.383 0.257 20 0 CCADLP C[C@@H](O)C[N@H+]1CCCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000982086749 631373972 /nfs/dbraw/zinc/37/39/72/631373972.db2.gz JWISKTKVSGDHEB-GFCCVEGCSA-N 2 2 292.383 0.257 20 0 CCADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905368417 634855905 /nfs/dbraw/zinc/85/59/05/634855905.db2.gz QNIHBGXNRAUEJY-UONOGXRCSA-N 2 2 286.416 0.089 20 0 CCADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905368417 634855908 /nfs/dbraw/zinc/85/59/08/634855908.db2.gz QNIHBGXNRAUEJY-UONOGXRCSA-N 2 2 286.416 0.089 20 0 CCADLP Cn1nccc1[C@H](O)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925888663 631434986 /nfs/dbraw/zinc/43/49/86/631434986.db2.gz FBKKBDHVBGKBNY-CXDPWYCBSA-N 2 2 262.357 0.040 20 0 CCADLP C[C@@H]1CN(c2nccn3c[nH+]cc23)C[C@H](C)[N@H+]1CCO ZINC000894079236 631510248 /nfs/dbraw/zinc/51/02/48/631510248.db2.gz CYGPFTYLRIYWGM-TXEJJXNPSA-N 2 2 275.356 0.621 20 0 CCADLP C[C@@H]1CN(c2nccn3c[nH+]cc23)C[C@H](C)[N@@H+]1CCO ZINC000894079236 631510258 /nfs/dbraw/zinc/51/02/58/631510258.db2.gz CYGPFTYLRIYWGM-TXEJJXNPSA-N 2 2 275.356 0.621 20 0 CCADLP C[C@@H]1COC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000924901829 631611059 /nfs/dbraw/zinc/61/10/59/631611059.db2.gz KOMYNUDEKSXJAY-RDBSUJKOSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1COC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000924901829 631611063 /nfs/dbraw/zinc/61/10/63/631611063.db2.gz KOMYNUDEKSXJAY-RDBSUJKOSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1C ZINC000928430788 631812629 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C[C@H](CC(=O)N1CCC[C@@H]([NH2+]CCO)C1)n1cc[nH+]c1 ZINC001000336533 639073212 /nfs/dbraw/zinc/07/32/12/639073212.db2.gz OCDMASQBOOZLTG-CHWSQXEVSA-N 2 2 280.372 0.407 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccon2)CC1 ZINC001002477141 639419217 /nfs/dbraw/zinc/41/92/17/639419217.db2.gz WDBNJWLOOTWYNY-CQSZACIVSA-N 2 2 292.383 0.849 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccon2)CC1 ZINC001002477141 639419221 /nfs/dbraw/zinc/41/92/21/639419221.db2.gz WDBNJWLOOTWYNY-CQSZACIVSA-N 2 2 292.383 0.849 20 0 CCADLP [NH3+]C[C@@H]1CCCC[N@@H+]1C[C@H](O)COC1CCOCC1 ZINC000923279475 640067396 /nfs/dbraw/zinc/06/73/96/640067396.db2.gz BSDHUOQICDFGFB-STQMWFEESA-N 2 2 272.389 0.356 20 0 CCADLP [NH3+]C[C@@H]1CCCC[N@H+]1C[C@H](O)COC1CCOCC1 ZINC000923279475 640067404 /nfs/dbraw/zinc/06/74/04/640067404.db2.gz BSDHUOQICDFGFB-STQMWFEESA-N 2 2 272.389 0.356 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(F)cc1 ZINC000923293601 640073311 /nfs/dbraw/zinc/07/33/11/640073311.db2.gz YOMPAODXYVALOP-QWHCGFSZSA-N 2 2 268.332 0.989 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(F)cc1 ZINC000923293601 640073321 /nfs/dbraw/zinc/07/33/21/640073321.db2.gz YOMPAODXYVALOP-QWHCGFSZSA-N 2 2 268.332 0.989 20 0 CCADLP [NH3+][C@]1(CO)CCC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000923473741 640153795 /nfs/dbraw/zinc/15/37/95/640153795.db2.gz VHPWSGBKYXFDPU-UONOGXRCSA-N 2 2 256.390 0.713 20 0 CCADLP [NH3+][C@]1(CO)CCC[N@@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000923473741 640153802 /nfs/dbraw/zinc/15/38/02/640153802.db2.gz VHPWSGBKYXFDPU-UONOGXRCSA-N 2 2 256.390 0.713 20 0 CCADLP [NH3+][C@]1(CO)CCC[N@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000923471315 640153933 /nfs/dbraw/zinc/15/39/33/640153933.db2.gz CXTLFTASIALUOR-QWHCGFSZSA-N 2 2 254.374 0.874 20 0 CCADLP [NH3+][C@]1(CO)CCC[N@@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000923471315 640153937 /nfs/dbraw/zinc/15/39/37/640153937.db2.gz CXTLFTASIALUOR-QWHCGFSZSA-N 2 2 254.374 0.874 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000799168808 640554047 /nfs/dbraw/zinc/55/40/47/640554047.db2.gz XIIFLSOHELWANS-WDEREUQCSA-N 2 2 276.340 0.405 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000799168808 640554051 /nfs/dbraw/zinc/55/40/51/640554051.db2.gz XIIFLSOHELWANS-WDEREUQCSA-N 2 2 276.340 0.405 20 0 CCADLP O[C@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc(F)cn1 ZINC000799297211 640557590 /nfs/dbraw/zinc/55/75/90/640557590.db2.gz SXXVVPPQRDPBOF-GBIKHYSHSA-N 2 2 251.305 0.405 20 0 CCADLP O[C@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc(F)cn1 ZINC000799297211 640557598 /nfs/dbraw/zinc/55/75/98/640557598.db2.gz SXXVVPPQRDPBOF-GBIKHYSHSA-N 2 2 251.305 0.405 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000806700080 640797241 /nfs/dbraw/zinc/79/72/41/640797241.db2.gz RAWYRIQYAYNIJH-RYUDHWBXSA-N 2 2 278.356 0.322 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000806700080 640797246 /nfs/dbraw/zinc/79/72/46/640797246.db2.gz RAWYRIQYAYNIJH-RYUDHWBXSA-N 2 2 278.356 0.322 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000811471931 640978203 /nfs/dbraw/zinc/97/82/03/640978203.db2.gz NLVGZHJDVOFFNJ-ZNMIVQPWSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000811471931 640978206 /nfs/dbraw/zinc/97/82/06/640978206.db2.gz NLVGZHJDVOFFNJ-ZNMIVQPWSA-N 2 2 297.443 0.896 20 0 CCADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]CCS(C)(=O)=O)cn1 ZINC000818968320 641370458 /nfs/dbraw/zinc/37/04/58/641370458.db2.gz QRNKULMYLFEBQS-UHFFFAOYSA-N 2 2 294.380 0.710 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001016105276 650682353 /nfs/dbraw/zinc/68/23/53/650682353.db2.gz DRGAAKIEHLXCHR-NSHDSACASA-N 2 2 266.345 0.098 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001016105276 650682356 /nfs/dbraw/zinc/68/23/56/650682356.db2.gz DRGAAKIEHLXCHR-NSHDSACASA-N 2 2 266.345 0.098 20 0 CCADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cccc(-c2nn[nH]n2)c1 ZINC000824570155 641832246 /nfs/dbraw/zinc/83/22/46/641832246.db2.gz LNTLGBQSLYLWMT-GXFFZTMASA-N 2 2 290.371 0.440 20 0 CCADLP Cc1oncc1C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016250244 650704760 /nfs/dbraw/zinc/70/47/60/650704760.db2.gz BUNGOAFOEUAUTQ-CQSZACIVSA-N 2 2 292.383 0.769 20 0 CCADLP Cc1oncc1C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016250244 650704761 /nfs/dbraw/zinc/70/47/61/650704761.db2.gz BUNGOAFOEUAUTQ-CQSZACIVSA-N 2 2 292.383 0.769 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+](CC[C@H]2CCOC2)C1 ZINC001016397019 650725563 /nfs/dbraw/zinc/72/55/63/650725563.db2.gz IKYVNCSUMTWDKY-KBPBESRZSA-N 2 2 292.383 0.500 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+](CC[C@H]2CCOC2)C1 ZINC001016397019 650725566 /nfs/dbraw/zinc/72/55/66/650725566.db2.gz IKYVNCSUMTWDKY-KBPBESRZSA-N 2 2 292.383 0.500 20 0 CCADLP [NH3+][C@@H](CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C1CC1 ZINC000830630633 642278995 /nfs/dbraw/zinc/27/89/95/642278995.db2.gz NHJLHNSPHFVCPW-KBPBESRZSA-N 2 2 281.400 0.437 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC12CC[NH+](CCCO)CC2 ZINC001016852414 650766021 /nfs/dbraw/zinc/76/60/21/650766021.db2.gz YLFSQDQDXBJJPY-CYBMUJFWSA-N 2 2 292.383 0.305 20 0 CCADLP Cc1ccc(NC(=O)N2CCO[C@@H](C[NH3+])C2)c(N(C)C)[nH+]1 ZINC000841154646 642805745 /nfs/dbraw/zinc/80/57/45/642805745.db2.gz KWOJJKVCXUOUAF-NSHDSACASA-N 2 2 293.371 0.647 20 0 CCADLP O[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccnc1 ZINC000843062823 642985274 /nfs/dbraw/zinc/98/52/74/642985274.db2.gz SKISRXYSDUWVPG-KBPBESRZSA-N 2 2 265.357 0.161 20 0 CCADLP C[C@H]1CN(C(=O)C[N@H+](C2CC2)C2CC[NH2+]CC2)CCO1 ZINC000843345413 643035486 /nfs/dbraw/zinc/03/54/86/643035486.db2.gz IGNSWRIWUXKTLM-LBPRGKRZSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@H]1CN(C(=O)C[N@@H+](C2CC2)C2CC[NH2+]CC2)CCO1 ZINC000843345413 643035493 /nfs/dbraw/zinc/03/54/93/643035493.db2.gz IGNSWRIWUXKTLM-LBPRGKRZSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@H]1CCCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)[C@H]1CC[NH3+] ZINC000846693508 643449408 /nfs/dbraw/zinc/44/94/08/643449408.db2.gz IBZZPFLOPMECPM-GWCFXTLKSA-N 2 2 291.399 0.645 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000846838218 643461235 /nfs/dbraw/zinc/46/12/35/643461235.db2.gz MIQDLNJQGYUGSP-NXEZZACHSA-N 2 2 262.313 0.015 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000846838218 643461240 /nfs/dbraw/zinc/46/12/40/643461240.db2.gz MIQDLNJQGYUGSP-NXEZZACHSA-N 2 2 262.313 0.015 20 0 CCADLP O=C1CC[C@@H](C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)O1 ZINC000852008448 643914598 /nfs/dbraw/zinc/91/45/98/643914598.db2.gz GMYMXNRLVAPART-KBPBESRZSA-N 2 2 282.384 0.879 20 0 CCADLP O=C1CC[C@@H](C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)O1 ZINC000852008448 643914602 /nfs/dbraw/zinc/91/46/02/643914602.db2.gz GMYMXNRLVAPART-KBPBESRZSA-N 2 2 282.384 0.879 20 0 CCADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+]([C@@H]1CCN(C3CCOCC3)C1=O)C2 ZINC000857085372 644462235 /nfs/dbraw/zinc/46/22/35/644462235.db2.gz CHFNFYONRUTLIR-XPKDYRNWSA-N 2 2 293.411 0.580 20 0 CCADLP [NH3+][C@]12CCC[C@@H]1C[N@H+]([C@@H]1CCN(C3CCOCC3)C1=O)C2 ZINC000857085372 644462238 /nfs/dbraw/zinc/46/22/38/644462238.db2.gz CHFNFYONRUTLIR-XPKDYRNWSA-N 2 2 293.411 0.580 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000857113121 644473266 /nfs/dbraw/zinc/47/32/66/644473266.db2.gz YCMRYJCAQFFLDA-QWHCGFSZSA-N 2 2 284.404 0.230 20 0 CCADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[C@H]([NH2+]CCF)C1 ZINC001019060864 650934883 /nfs/dbraw/zinc/93/48/83/650934883.db2.gz IUHFZWXWGKWNHM-NEPJUHHUSA-N 2 2 280.347 0.606 20 0 CCADLP C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000861542477 644889276 /nfs/dbraw/zinc/88/92/76/644889276.db2.gz PLENGKGNKCEXNS-VIFPVBQESA-N 2 2 275.312 0.078 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N(C)C[C@H](C)[NH3+])[NH+]1CCOCC1 ZINC000861574300 644894142 /nfs/dbraw/zinc/89/41/42/644894142.db2.gz RLVGIUCBHNNEDN-SDDRHHMPSA-N 2 2 272.393 0.084 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)NCc2c[nH+]cn2C)C[NH2+]1 ZINC000861633351 644899817 /nfs/dbraw/zinc/89/98/17/644899817.db2.gz NUPZOLZMOQBZDL-UWVGGRQHSA-N 2 2 251.334 0.360 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([NH2+]CC2CCOCC2)C1 ZINC001019435338 650973154 /nfs/dbraw/zinc/97/31/54/650973154.db2.gz CQNGYYNLZKPLIG-ZDUSSCGKSA-N 2 2 292.383 0.569 20 0 CCADLP NC(=O)COc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000863482995 645098869 /nfs/dbraw/zinc/09/88/69/645098869.db2.gz NAJJIUKLGWQBOB-CQSZACIVSA-N 2 2 289.379 0.925 20 0 CCADLP CC(C)[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001019721154 651000737 /nfs/dbraw/zinc/00/07/37/651000737.db2.gz CAXAGPUTKVCDRE-LBPRGKRZSA-N 2 2 264.373 0.952 20 0 CCADLP C[C@H](CNC(=O)/C=C/C[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000864931102 645304880 /nfs/dbraw/zinc/30/48/80/645304880.db2.gz IWUYDQSCXNOQNE-MBVDDHJVSA-N 2 2 295.427 0.723 20 0 CCADLP C[C@H](CNC(=O)/C=C\C[NH+]1CCOCC1)[N@H+](C)C1CC1 ZINC000865142753 645329439 /nfs/dbraw/zinc/32/94/39/645329439.db2.gz LGEJPCBMYHYKAV-DHCBQETCSA-N 2 2 281.400 0.474 20 0 CCADLP C[C@H](CNC(=O)/C=C\C[NH+]1CCOCC1)[N@@H+](C)C1CC1 ZINC000865142753 645329448 /nfs/dbraw/zinc/32/94/48/645329448.db2.gz LGEJPCBMYHYKAV-DHCBQETCSA-N 2 2 281.400 0.474 20 0 CCADLP [NH3+]CC12CCC(CC1)N2C(=O)NCCCn1cc[nH+]c1 ZINC000865343443 645356446 /nfs/dbraw/zinc/35/64/46/645356446.db2.gz NJBGWADLBAZJGW-UHFFFAOYSA-N 2 2 277.372 0.939 20 0 CCADLP Cc1cc(C[NH2+][C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)on1 ZINC001019868458 651011709 /nfs/dbraw/zinc/01/17/09/651011709.db2.gz FQPFPTPHUNLLNV-LBPRGKRZSA-N 2 2 289.339 0.570 20 0 CCADLP O=C([C@H](O)c1c[nH+]c[nH]1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000865987747 645453700 /nfs/dbraw/zinc/45/37/00/645453700.db2.gz BQXNYZNBAUMVJH-TZMCWYRMSA-N 2 2 292.383 0.920 20 0 CCADLP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](Cc2nccs2)C1 ZINC000866714379 645580562 /nfs/dbraw/zinc/58/05/62/645580562.db2.gz NNBPDCJSAAKGSE-GARJFASQSA-N 2 2 294.380 0.510 20 0 CCADLP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+](Cc2nccs2)C1 ZINC000866714379 645580572 /nfs/dbraw/zinc/58/05/72/645580572.db2.gz NNBPDCJSAAKGSE-GARJFASQSA-N 2 2 294.380 0.510 20 0 CCADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000868335117 645751980 /nfs/dbraw/zinc/75/19/80/645751980.db2.gz DPOWMFWLOXLSDO-KGYLQXTDSA-N 2 2 278.356 0.528 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@H]2C[C@H]([NH2+]C[C@H](C)O)C2)c[nH+]1 ZINC001020286108 651056311 /nfs/dbraw/zinc/05/63/11/651056311.db2.gz SPCQDXHFBGEVQQ-AVGNSLFASA-N 2 2 294.399 0.544 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001020296619 651056733 /nfs/dbraw/zinc/05/67/33/651056733.db2.gz XWOPJHBSVZRXND-YUSALJHKSA-N 2 2 288.351 0.794 20 0 CCADLP O=C(N[C@H]1C[C@H]([NH2+]CCF)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001020313854 651058946 /nfs/dbraw/zinc/05/89/46/651058946.db2.gz IWTLPPNVTRAGFX-SRVKXCTJSA-N 2 2 280.347 0.652 20 0 CCADLP [NH3+][C@H]1CC[C@@H](C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000870854631 646027760 /nfs/dbraw/zinc/02/77/60/646027760.db2.gz PVANPLKOVJWXNF-TXEJJXNPSA-N 2 2 250.346 0.907 20 0 CCADLP C[C@@H]1C[NH+](CCC[NH2+]C[C@@H](O)CC(C)(C)O)C[C@@H](C)O1 ZINC000871971735 646201984 /nfs/dbraw/zinc/20/19/84/646201984.db2.gz QCNVLVPQNOCFPJ-MCIONIFRSA-N 2 2 288.432 0.597 20 0 CCADLP NC(=O)COc1ccc(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)cc1 ZINC000873230750 646362214 /nfs/dbraw/zinc/36/22/14/646362214.db2.gz XQNXEOJJENHLPY-GOEBONIOSA-N 2 2 289.379 0.925 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000873251457 646366404 /nfs/dbraw/zinc/36/64/04/646366404.db2.gz KPPRJVNRBYPNNE-KFWWJZLASA-N 2 2 298.427 0.929 20 0 CCADLP C[C@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)[C@H]1CCCC[NH2+]1 ZINC000873250089 646366515 /nfs/dbraw/zinc/36/65/15/646366515.db2.gz OZRSLGBEMPFSMX-OUCADQQQSA-N 2 2 283.372 0.328 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873271418 646368432 /nfs/dbraw/zinc/36/84/32/646368432.db2.gz IBAAKTUQRSCRFQ-MBNYWOFBSA-N 3 2 255.406 0.731 20 0 CCADLP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000874386063 646449032 /nfs/dbraw/zinc/44/90/32/646449032.db2.gz SDSMHXSDCWANRR-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876707469 646647156 /nfs/dbraw/zinc/64/71/56/646647156.db2.gz HIXPGEANKJZYGU-GHMZBOCLSA-N 2 2 254.309 0.337 20 0 CCADLP O=C([C@H](F)[C@H]1CC[NH2+]C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000876733026 646653064 /nfs/dbraw/zinc/65/30/64/646653064.db2.gz MIVLODYPQABDOZ-MELADBBJSA-N 2 2 299.390 0.257 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876849804 646680706 /nfs/dbraw/zinc/68/07/06/646680706.db2.gz ZALZFJYGNMTPLH-GKTSYKONSA-N 2 2 281.400 0.378 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876960743 646707969 /nfs/dbraw/zinc/70/79/69/646707969.db2.gz LSUCOHOJJIUNHJ-CTASWTNQSA-N 2 2 295.427 0.744 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876960743 646707974 /nfs/dbraw/zinc/70/79/74/646707974.db2.gz LSUCOHOJJIUNHJ-CTASWTNQSA-N 2 2 295.427 0.744 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877354932 646802116 /nfs/dbraw/zinc/80/21/16/646802116.db2.gz JOHYRZBPKUPQQS-DTWKUNHWSA-N 2 2 290.289 0.856 20 0 CCADLP O=C(N[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1CCn2cc[nH+]c2C1 ZINC000877385836 646807563 /nfs/dbraw/zinc/80/75/63/646807563.db2.gz NFSLYQYMGVXOTB-ZOWXZIJZSA-N 2 2 274.368 0.846 20 0 CCADLP O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)[C@@H]1CCc2[nH+]ccn2C1 ZINC000877388146 646808889 /nfs/dbraw/zinc/80/88/89/646808889.db2.gz WIXIXWYCKJECFW-XUJVJEKNSA-N 2 2 274.368 0.846 20 0 CCADLP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1nnnn1C1CC1 ZINC000878506061 646925214 /nfs/dbraw/zinc/92/52/14/646925214.db2.gz BULVGMHRAPGKSB-SECBINFHSA-N 2 2 261.333 0.635 20 0 CCADLP O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000879992453 647140154 /nfs/dbraw/zinc/14/01/54/647140154.db2.gz LVZCLOKXOAKRDF-QWHCGFSZSA-N 2 2 292.383 0.018 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H]([NH3+])C2)c[nH+]1 ZINC000884004789 647606948 /nfs/dbraw/zinc/60/69/48/647606948.db2.gz LFBLQXPLSPNEJT-LLVKDONJSA-N 2 2 250.346 0.876 20 0 CCADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ncoc1C[NH3+] ZINC000884195453 647663610 /nfs/dbraw/zinc/66/36/10/647663610.db2.gz NIQXJWVDPYCSJU-VIFPVBQESA-N 2 2 277.328 0.704 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1C[NH2+]CC1(C)C)Cn1cc[nH+]c1 ZINC000884196666 647663775 /nfs/dbraw/zinc/66/37/75/647663775.db2.gz XPKVBAXDAVWUNL-NWDGAFQWSA-N 2 2 264.373 0.881 20 0 CCADLP [NH3+][C@H](CC1CC1)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000884196928 647665410 /nfs/dbraw/zinc/66/54/10/647665410.db2.gz FWMRIOSBWWBCAQ-UONOGXRCSA-N 2 2 281.400 0.437 20 0 CCADLP O=C(C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)NC[C@@H]1CCCO1 ZINC000886871925 648027479 /nfs/dbraw/zinc/02/74/79/648027479.db2.gz FCOQAAQHPXAMHM-HOCLYGCPSA-N 2 2 295.427 0.747 20 0 CCADLP O=C(C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)NC[C@@H]1CCCO1 ZINC000886871925 648027487 /nfs/dbraw/zinc/02/74/87/648027487.db2.gz FCOQAAQHPXAMHM-HOCLYGCPSA-N 2 2 295.427 0.747 20 0 CCADLP [NH2+]=C(NCC1CC1)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000887362096 648098496 /nfs/dbraw/zinc/09/84/96/648098496.db2.gz WVDHFTVGHJNMMR-UHFFFAOYSA-N 2 2 296.415 0.392 20 0 CCADLP Cc1ccc(NC(=O)NCC[N@H+](C)CCO)c(N(C)C)[nH+]1 ZINC000887917578 648170517 /nfs/dbraw/zinc/17/05/17/648170517.db2.gz KRLHYUQDGIFQMM-UHFFFAOYSA-N 2 2 295.387 0.502 20 0 CCADLP Cc1ccc(NC(=O)NCC[N@@H+](C)CCO)c(N(C)C)[nH+]1 ZINC000887917578 648170522 /nfs/dbraw/zinc/17/05/22/648170522.db2.gz KRLHYUQDGIFQMM-UHFFFAOYSA-N 2 2 295.387 0.502 20 0 CCADLP C[C@@H]1COC[C@@H](C)C1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000924840732 648384152 /nfs/dbraw/zinc/38/41/52/648384152.db2.gz FUGZZIFVVGABMH-VXGBXAGGSA-N 2 2 269.389 0.021 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)c2ncnn21 ZINC000924944728 648389739 /nfs/dbraw/zinc/38/97/39/648389739.db2.gz CKHIKIXIEWCPCP-NWDGAFQWSA-N 2 2 292.387 0.038 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N2CC[C@H]3OCC[NH+](C)[C@@H]3C2)CC[N@@H+]1C ZINC000925344501 648422321 /nfs/dbraw/zinc/42/23/21/648422321.db2.gz QMZNWJJCDTUWQN-AAVRWANBSA-N 2 2 296.415 0.194 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N2CC[C@H]3OCC[NH+](C)[C@@H]3C2)CC[N@H+]1C ZINC000925344501 648422327 /nfs/dbraw/zinc/42/23/27/648422327.db2.gz QMZNWJJCDTUWQN-AAVRWANBSA-N 2 2 296.415 0.194 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)CC[NH+]1C ZINC000925344501 648422331 /nfs/dbraw/zinc/42/23/31/648422331.db2.gz QMZNWJJCDTUWQN-AAVRWANBSA-N 2 2 296.415 0.194 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)CC[NH+]1C ZINC000925344501 648422335 /nfs/dbraw/zinc/42/23/35/648422335.db2.gz QMZNWJJCDTUWQN-AAVRWANBSA-N 2 2 296.415 0.194 20 0 CCADLP C[C@H](C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)CN1CC[NH+](C)CC1 ZINC000925489810 648438680 /nfs/dbraw/zinc/43/86/80/648438680.db2.gz LRRBKDSAZYMUHS-AOEXVQCMSA-N 3 2 292.471 0.456 20 0 CCADLP C[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)CN1CC[NH+](C)CC1 ZINC000925490563 648439015 /nfs/dbraw/zinc/43/90/15/648439015.db2.gz OFWIVCRIGXCAAT-RBSFLKMASA-N 3 2 280.460 0.729 20 0 CCADLP OCC[C@@H]([NH2+][C@@H]1C[NH2+]CCOC1)C1CCCCC1 ZINC000925616366 648447978 /nfs/dbraw/zinc/44/79/78/648447978.db2.gz RQVAFAWXRVULJP-ZIAGYGMSSA-N 2 2 256.390 0.896 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925639155 648449393 /nfs/dbraw/zinc/44/93/93/648449393.db2.gz KDTAHZYZXWXYCW-SCRDCRAPSA-N 3 2 255.406 0.549 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925639155 648449397 /nfs/dbraw/zinc/44/93/97/648449397.db2.gz KDTAHZYZXWXYCW-SCRDCRAPSA-N 3 2 255.406 0.549 20 0 CCADLP c1csc(N2CCC([NH2+][C@@H]3C[NH2+]CCOC3)CC2)n1 ZINC000925653032 648451115 /nfs/dbraw/zinc/45/11/15/648451115.db2.gz CQZLYWMTISSXDG-GFCCVEGCSA-N 2 2 282.413 0.690 20 0 CCADLP Cn1cc([C@@H]2OCC[C@H]2[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cn1 ZINC000925704760 648455138 /nfs/dbraw/zinc/45/51/38/648455138.db2.gz JWTHMAIHVXKGSB-BYGQHLNASA-N 2 2 288.395 0.836 20 0 CCADLP O=C1OC[C@@]2(C[NH2+][C@H]3CC[NH2+]C34CCC4)COCCN12 ZINC000925734428 648458115 /nfs/dbraw/zinc/45/81/15/648458115.db2.gz PILWOXVSSZUGHL-WCQYABFASA-N 2 2 281.356 0.082 20 0 CCADLP C[C@H]([NH3+])[C@H]([NH2+]CCN1CCNC1=O)c1ccccc1 ZINC000925776964 648459978 /nfs/dbraw/zinc/45/99/78/648459978.db2.gz JMGGGJHCNMFATK-AAEUAGOBSA-N 2 2 262.357 0.690 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925803167 648463353 /nfs/dbraw/zinc/46/33/53/648463353.db2.gz NAENCLIMAXHHMO-RQJABVFESA-N 3 2 255.406 0.589 20 0 CCADLP Cc1cc(CC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)nn1C ZINC000925834400 648465382 /nfs/dbraw/zinc/46/53/82/648465382.db2.gz NJOSOZHGBWRGOQ-LSDHHAIUSA-N 2 2 278.400 0.628 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@H]1CCC[NH2+]1 ZINC000925848300 648466623 /nfs/dbraw/zinc/46/66/23/648466623.db2.gz FCDNBKZXHQIUBB-RWMBFGLXSA-N 3 2 281.400 0.402 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000925856872 648467203 /nfs/dbraw/zinc/46/72/03/648467203.db2.gz GMPADELEPSPJQS-JVGWCMFKSA-N 2 2 272.414 0.682 20 0 CCADLP O[C@@H](C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)C1(O)CCC1 ZINC000929804904 648793989 /nfs/dbraw/zinc/79/39/89/648793989.db2.gz ZLKWMUICLSVWRU-LBPRGKRZSA-N 2 2 265.357 0.865 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1cccnn1 ZINC000930061918 648817116 /nfs/dbraw/zinc/81/71/16/648817116.db2.gz UTMLUQKDBLHYPV-UHFFFAOYSA-N 2 2 288.355 0.942 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1cccnn1 ZINC000930061918 648817119 /nfs/dbraw/zinc/81/71/19/648817119.db2.gz UTMLUQKDBLHYPV-UHFFFAOYSA-N 2 2 288.355 0.942 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000930623350 648882165 /nfs/dbraw/zinc/88/21/65/648882165.db2.gz QJYJGUKEHUCALY-CMPLNLGQSA-N 2 2 264.316 0.145 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000930623350 648882168 /nfs/dbraw/zinc/88/21/68/648882168.db2.gz QJYJGUKEHUCALY-CMPLNLGQSA-N 2 2 264.316 0.145 20 0 CCADLP Cc1[nH]c(C[NH2+][C@@H](CO)[C@H]2CCCOC2)c(C)[nH+]1 ZINC000930721221 648894479 /nfs/dbraw/zinc/89/44/79/648894479.db2.gz XENYJOSQFGLALY-AAEUAGOBSA-N 2 2 253.346 0.904 20 0 CCADLP NS(=O)(=O)C[C@@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000931229782 648967564 /nfs/dbraw/zinc/96/75/64/648967564.db2.gz PUQOXXAVYIQWIL-LBPRGKRZSA-N 2 2 286.401 0.416 20 0 CCADLP NS(=O)(=O)C[C@@H]1CCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000931229782 648967569 /nfs/dbraw/zinc/96/75/69/648967569.db2.gz PUQOXXAVYIQWIL-LBPRGKRZSA-N 2 2 286.401 0.416 20 0 CCADLP O[C@H](C[NH+]1CCC([N@@H+]2CCCOCC2)CC1)C1(O)CCC1 ZINC000931284071 648973830 /nfs/dbraw/zinc/97/38/30/648973830.db2.gz NHOFZHOTRDORDZ-OAHLLOKOSA-N 2 2 298.427 0.449 20 0 CCADLP O[C@H](C[NH+]1CCC([N@H+]2CCCOCC2)CC1)C1(O)CCC1 ZINC000931284071 648973833 /nfs/dbraw/zinc/97/38/33/648973833.db2.gz NHOFZHOTRDORDZ-OAHLLOKOSA-N 2 2 298.427 0.449 20 0 CCADLP O=C1CC[C@@H](C[NH+]2CCC([N@@H+]3CCCOCC3)CC2)O1 ZINC000931285794 648975095 /nfs/dbraw/zinc/97/50/95/648975095.db2.gz PIORTDPXMICTGH-AWEZNQCLSA-N 2 2 282.384 0.879 20 0 CCADLP O=C1CC[C@@H](C[NH+]2CCC([N@H+]3CCCOCC3)CC2)O1 ZINC000931285794 648975101 /nfs/dbraw/zinc/97/51/01/648975101.db2.gz PIORTDPXMICTGH-AWEZNQCLSA-N 2 2 282.384 0.879 20 0 CCADLP C[C@H]1NC(=O)N(CC[NH+]2CCC(C)([NH+](C)C)CC2)C1=O ZINC000931356466 648981714 /nfs/dbraw/zinc/98/17/14/648981714.db2.gz YFUYYQSMZCCINL-LLVKDONJSA-N 2 2 282.388 0.343 20 0 CCADLP Cc1cc(NC(=O)COC2CC[NH+](C)CC2)cc[nH+]1 ZINC000932607461 649082241 /nfs/dbraw/zinc/08/22/41/649082241.db2.gz SBJNDQXUPSSPDS-UHFFFAOYSA-N 2 2 263.341 0.861 20 0 CCADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(S(N)(=O)=O)c2)CC[N@@H+]1C ZINC000156019130 649293995 /nfs/dbraw/zinc/29/39/95/649293995.db2.gz WPWNOTYNGSMJFV-WCQYABFASA-N 2 2 297.424 0.906 20 0 CCADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(S(N)(=O)=O)c2)CC[N@H+]1C ZINC000156019130 649293999 /nfs/dbraw/zinc/29/39/99/649293999.db2.gz WPWNOTYNGSMJFV-WCQYABFASA-N 2 2 297.424 0.906 20 0 CCADLP COc1c(N)[nH+]cnc1NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000250287061 649757645 /nfs/dbraw/zinc/75/76/45/649757645.db2.gz WBMNXOSGPWCDPB-UWVGGRQHSA-N 2 2 279.344 0.343 20 0 CCADLP COc1c(N)[nH+]cnc1NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000250287061 649757648 /nfs/dbraw/zinc/75/76/48/649757648.db2.gz WBMNXOSGPWCDPB-UWVGGRQHSA-N 2 2 279.344 0.343 20 0 CCADLP CCOC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250465170 649768800 /nfs/dbraw/zinc/76/88/00/649768800.db2.gz BCJZYGIHBSEJPN-MGPQQGTHSA-N 2 2 256.390 0.990 20 0 CCADLP CCOC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250465170 649768805 /nfs/dbraw/zinc/76/88/05/649768805.db2.gz BCJZYGIHBSEJPN-MGPQQGTHSA-N 2 2 256.390 0.990 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000251745530 649817557 /nfs/dbraw/zinc/81/75/57/649817557.db2.gz LBRNCSFECPSPAV-HABKJSAYSA-N 2 2 281.400 0.449 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000251745530 649817560 /nfs/dbraw/zinc/81/75/60/649817560.db2.gz LBRNCSFECPSPAV-HABKJSAYSA-N 2 2 281.400 0.449 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000251904813 649822789 /nfs/dbraw/zinc/82/27/89/649822789.db2.gz XENDMCVBJLCZKE-YNEHKIRRSA-N 2 2 269.389 0.293 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000251904813 649822790 /nfs/dbraw/zinc/82/27/90/649822790.db2.gz XENDMCVBJLCZKE-YNEHKIRRSA-N 2 2 269.389 0.293 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1cc[nH+]c(N2CCOCC2)n1 ZINC000443512567 719216732 /nfs/dbraw/zinc/21/67/32/719216732.db2.gz VDCUYIFBOPIITB-QWHCGFSZSA-N 2 2 291.399 0.842 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1cc[nH+]c(N2CCOCC2)n1 ZINC000443512567 719216741 /nfs/dbraw/zinc/21/67/41/719216741.db2.gz VDCUYIFBOPIITB-QWHCGFSZSA-N 2 2 291.399 0.842 20 0 CCADLP C[NH+]1CCN(c2cccc(N3CC[C@@H](CO)C3)[nH+]2)CC1 ZINC001165032692 721877921 /nfs/dbraw/zinc/87/79/21/721877921.db2.gz ADQQZEXFXHUWLI-CYBMUJFWSA-N 2 2 276.384 0.652 20 0 CCADLP CNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001266245569 790321850 /nfs/dbraw/zinc/32/18/50/790321850.db2.gz CJBIICWKJTYHHQ-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001266245569 790321860 /nfs/dbraw/zinc/32/18/60/790321860.db2.gz CJBIICWKJTYHHQ-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001213500314 790345645 /nfs/dbraw/zinc/34/56/45/790345645.db2.gz QFAYWVSGBMOMRO-JHJVBQTASA-N 2 2 280.372 0.670 20 0 CCADLP CC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001213500314 790345657 /nfs/dbraw/zinc/34/56/57/790345657.db2.gz QFAYWVSGBMOMRO-JHJVBQTASA-N 2 2 280.372 0.670 20 0 CCADLP CCOC(=O)CN1CC[NH+](C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001208603322 790425173 /nfs/dbraw/zinc/42/51/73/790425173.db2.gz BDLNGJNLOVWUHV-AWEZNQCLSA-N 2 2 283.416 0.509 20 0 CCADLP CCOC(=O)CN1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001208603322 790425177 /nfs/dbraw/zinc/42/51/77/790425177.db2.gz BDLNGJNLOVWUHV-AWEZNQCLSA-N 2 2 283.416 0.509 20 0 CCADLP CN1CC[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000705328006 790446385 /nfs/dbraw/zinc/44/63/85/790446385.db2.gz PWMPKYDWPXBOIH-DLBZAZTESA-N 2 2 289.423 0.917 20 0 CCADLP CN1CC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000705328006 790446387 /nfs/dbraw/zinc/44/63/87/790446387.db2.gz PWMPKYDWPXBOIH-DLBZAZTESA-N 2 2 289.423 0.917 20 0 CCADLP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(N)=O ZINC000705761367 790643773 /nfs/dbraw/zinc/64/37/73/790643773.db2.gz UKKBCPPINCGKIV-GOEBONIOSA-N 2 2 291.395 0.477 20 0 CCADLP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(N)=O ZINC000705761367 790643777 /nfs/dbraw/zinc/64/37/77/790643777.db2.gz UKKBCPPINCGKIV-GOEBONIOSA-N 2 2 291.395 0.477 20 0 CCADLP CC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001075369654 790690501 /nfs/dbraw/zinc/69/05/01/790690501.db2.gz WLTGQGOCYKSBMY-QWHCGFSZSA-N 2 2 264.373 0.977 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001266535301 790889993 /nfs/dbraw/zinc/88/99/93/790889993.db2.gz XYOOVABNJHDCSM-OLZOCXBDSA-N 2 2 292.383 0.282 20 0 CCADLP CC(C)OCC[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167349992 790946526 /nfs/dbraw/zinc/94/65/26/790946526.db2.gz NUGCXFWQBLPPLP-UHFFFAOYSA-N 2 2 268.361 0.473 20 0 CCADLP CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@H]2C1 ZINC001083209424 791021092 /nfs/dbraw/zinc/02/10/92/791021092.db2.gz GFHGCIRSBXEELP-MELADBBJSA-N 2 2 292.383 0.766 20 0 CCADLP CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@H]2C1 ZINC001083209424 791021096 /nfs/dbraw/zinc/02/10/96/791021096.db2.gz GFHGCIRSBXEELP-MELADBBJSA-N 2 2 292.383 0.766 20 0 CCADLP CCOCC[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001266622871 791048311 /nfs/dbraw/zinc/04/83/11/791048311.db2.gz VMHDRNULMYRLOM-XYPYZODXSA-N 2 2 266.345 0.226 20 0 CCADLP C[C@H](CC(=O)NCCC[NH2+]C[C@H]1CCOC1)n1cc[nH+]c1 ZINC001167428006 791062176 /nfs/dbraw/zinc/06/21/76/791062176.db2.gz FIKRNHMMOUXBOQ-ZIAGYGMSSA-N 2 2 294.399 0.967 20 0 CCADLP COCCC[NH2+]CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001167429610 791065456 /nfs/dbraw/zinc/06/54/56/791065456.db2.gz VODAVZSPKWKBIG-CYBMUJFWSA-N 2 2 282.388 0.967 20 0 CCADLP C[C@@H](CC(=O)NCCC[NH2+]Cc1cnon1)n1cc[nH+]c1 ZINC001167429642 791066279 /nfs/dbraw/zinc/06/62/79/791066279.db2.gz VRKOQQBIJCZGAR-NSHDSACASA-N 2 2 292.343 0.513 20 0 CCADLP CC[N@H+](CCn1cc[nH+]c1)Cc1c[nH]c(=O)[nH]c1=O ZINC001231709362 805843229 /nfs/dbraw/zinc/84/32/29/805843229.db2.gz SWVPSWOYNLIALR-UHFFFAOYSA-N 2 2 263.301 0.606 20 0 CCADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1c[nH]c(=O)[nH]c1=O ZINC001231709362 805843238 /nfs/dbraw/zinc/84/32/38/805843238.db2.gz SWVPSWOYNLIALR-UHFFFAOYSA-N 2 2 263.301 0.606 20 0 CCADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(=O)[nH]n1 ZINC001232024658 805883868 /nfs/dbraw/zinc/88/38/68/805883868.db2.gz UMNTZLAKZLAKDY-UONOGXRCSA-N 2 2 291.399 0.392 20 0 CCADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(=O)[nH]n1 ZINC001232024658 805883876 /nfs/dbraw/zinc/88/38/76/805883876.db2.gz UMNTZLAKZLAKDY-UONOGXRCSA-N 2 2 291.399 0.392 20 0 CCADLP Cc1cc(NC2CC2)nc(N2C[C@@H]3COC[C@H](C2)[N@@H+]3C)[nH+]1 ZINC001277738892 806000196 /nfs/dbraw/zinc/00/01/96/806000196.db2.gz WYOGCHPTDPNZQO-BETUJISGSA-N 2 2 289.383 0.879 20 0 CCADLP Cc1cc(NC2CC2)nc(N2C[C@@H]3COC[C@H](C2)[N@H+]3C)[nH+]1 ZINC001277738892 806000208 /nfs/dbraw/zinc/00/02/08/806000208.db2.gz WYOGCHPTDPNZQO-BETUJISGSA-N 2 2 289.383 0.879 20 0 CCADLP C[C@H](CC(=O)N(C)CC[NH2+]C[C@H](C)O)n1cc[nH+]c1 ZINC001266847823 791283994 /nfs/dbraw/zinc/28/39/94/791283994.db2.gz AGIBPBBFTJKOAW-NEPJUHHUSA-N 2 2 268.361 0.263 20 0 CCADLP COCC[NH2+][C@H](C)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001267134101 791580090 /nfs/dbraw/zinc/58/00/90/791580090.db2.gz PNMXGZOERSSVMT-OLZOCXBDSA-N 2 2 294.399 0.576 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCC[C@@H](C)[NH2+]CCCO)c[nH+]1 ZINC001267136864 791581115 /nfs/dbraw/zinc/58/11/15/791581115.db2.gz YJLCXNJCTMBODJ-GFCCVEGCSA-N 2 2 296.415 0.793 20 0 CCADLP COCCOC[N@@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001277897939 806304020 /nfs/dbraw/zinc/30/40/20/806304020.db2.gz WIIGHFFFBJVQQF-INIZCTEOSA-N 2 2 299.459 0.956 20 0 CCADLP COCCOC[N@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2)C1 ZINC001277897939 806304030 /nfs/dbraw/zinc/30/40/30/806304030.db2.gz WIIGHFFFBJVQQF-INIZCTEOSA-N 2 2 299.459 0.956 20 0 CCADLP Oc1cc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)cc(F)c1F ZINC001234994484 806339547 /nfs/dbraw/zinc/33/95/47/806339547.db2.gz XPBCVSBZDQNCAU-CQSZACIVSA-N 2 2 283.322 0.808 20 0 CCADLP c1cc2cc(C[N@@H+]3CCN[C@]4(CC[NH2+]C4)C3)ncc2[nH]1 ZINC001235063077 806365008 /nfs/dbraw/zinc/36/50/08/806365008.db2.gz NVWVGJFJNROBFA-HNNXBMFYSA-N 2 2 271.368 0.700 20 0 CCADLP c1cc2cc(C[N@H+]3CCN[C@]4(CC[NH2+]C4)C3)ncc2[nH]1 ZINC001235063077 806365018 /nfs/dbraw/zinc/36/50/18/806365018.db2.gz NVWVGJFJNROBFA-HNNXBMFYSA-N 2 2 271.368 0.700 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235233421 806391440 /nfs/dbraw/zinc/39/14/40/806391440.db2.gz PULKTMCLEVDTJJ-CABCVRRESA-N 3 2 267.417 0.829 20 0 CCADLP CN1C[C@@]2(CC1=O)CCCC[N@@H+]2C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235521676 806443711 /nfs/dbraw/zinc/44/37/11/806443711.db2.gz OTDJQVUCANNTDJ-WFASDCNBSA-N 2 2 281.400 0.798 20 0 CCADLP CN1C[C@@]2(CC1=O)CCCC[N@H+]2C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235521676 806443721 /nfs/dbraw/zinc/44/37/21/806443721.db2.gz OTDJQVUCANNTDJ-WFASDCNBSA-N 2 2 281.400 0.798 20 0 CCADLP COCCN1CC[C@@]2(CCC[N@H+](C[C@@H](C)[NH3+])C2)C1=O ZINC001235544032 806451060 /nfs/dbraw/zinc/45/10/60/806451060.db2.gz HAMQUJWHMBVLQX-TZMCWYRMSA-N 2 2 269.389 0.295 20 0 CCADLP COCCN1CC[C@@]2(CCC[N@@H+](C[C@@H](C)[NH3+])C2)C1=O ZINC001235544032 806451065 /nfs/dbraw/zinc/45/10/65/806451065.db2.gz HAMQUJWHMBVLQX-TZMCWYRMSA-N 2 2 269.389 0.295 20 0 CCADLP C[C@H]([NH3+])C[NH+]1CCC2(CCOC[C@@H]2NC(=O)N(C)C)CC1 ZINC001235554195 806454509 /nfs/dbraw/zinc/45/45/09/806454509.db2.gz GBBDWCNTHYFGDR-STQMWFEESA-N 2 2 298.431 0.476 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1C[C@@H]2COC[C@]2(COc2ccccn2)C1 ZINC001235614954 806472277 /nfs/dbraw/zinc/47/22/77/806472277.db2.gz JOHHSAWGDBVFIM-GUTXKFCHSA-N 2 2 277.368 0.756 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1C[C@@H]2COC[C@]2(COc2ccccn2)C1 ZINC001235614954 806472280 /nfs/dbraw/zinc/47/22/80/806472280.db2.gz JOHHSAWGDBVFIM-GUTXKFCHSA-N 2 2 277.368 0.756 20 0 CCADLP C[C@H]1C[NH2+]CC(F)(F)[C@H]1CN1CC[C@@H](F)[C@@H]([NH3+])C1 ZINC001235906337 806514787 /nfs/dbraw/zinc/51/47/87/806514787.db2.gz OPMMDOPYNDSEMJ-MMWGEVLESA-N 2 2 265.323 0.848 20 0 CCADLP Cn1nnc2cc(C[N@@H+]3C[C@H]4CC[C@@]4([NH3+])C3)ccc21 ZINC001235990427 806522434 /nfs/dbraw/zinc/52/24/34/806522434.db2.gz MYSXMMJOTLCHNI-BXUZGUMPSA-N 2 2 257.341 0.891 20 0 CCADLP Cn1nnc2cc(C[N@H+]3C[C@H]4CC[C@@]4([NH3+])C3)ccc21 ZINC001235990427 806522436 /nfs/dbraw/zinc/52/24/36/806522436.db2.gz MYSXMMJOTLCHNI-BXUZGUMPSA-N 2 2 257.341 0.891 20 0 CCADLP NC(=O)COc1ccc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235988651 806522569 /nfs/dbraw/zinc/52/25/69/806522569.db2.gz HVUKQJYNTWNCQY-IUODEOHRSA-N 2 2 275.352 0.474 20 0 CCADLP NC(=O)COc1ccc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235988651 806522574 /nfs/dbraw/zinc/52/25/74/806522574.db2.gz HVUKQJYNTWNCQY-IUODEOHRSA-N 2 2 275.352 0.474 20 0 CCADLP COc1ccnc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1 ZINC001235998962 806526739 /nfs/dbraw/zinc/52/67/39/806526739.db2.gz SMONVKFNBVZTPD-BVUQATHDSA-N 2 2 263.341 0.496 20 0 CCADLP COc1ccnc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1 ZINC001235998962 806526741 /nfs/dbraw/zinc/52/67/41/806526741.db2.gz SMONVKFNBVZTPD-BVUQATHDSA-N 2 2 263.341 0.496 20 0 CCADLP CCOC(=O)CC[N@@H+]1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001236038507 806532252 /nfs/dbraw/zinc/53/22/52/806532252.db2.gz QHTOWKMUZXIIJR-IUODEOHRSA-N 2 2 298.383 0.414 20 0 CCADLP CCOC(=O)CC[N@H+]1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001236038507 806532258 /nfs/dbraw/zinc/53/22/58/806532258.db2.gz QHTOWKMUZXIIJR-IUODEOHRSA-N 2 2 298.383 0.414 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1ccc2[nH+]ccn2c1 ZINC001236199591 806552539 /nfs/dbraw/zinc/55/25/39/806552539.db2.gz PLFKXCAVQRLHLQ-RYUDHWBXSA-N 2 2 274.324 0.409 20 0 CCADLP COCC[N@H+](CCC1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC001236335272 806567907 /nfs/dbraw/zinc/56/79/07/806567907.db2.gz TUZCKDIVNWKNFN-AWEZNQCLSA-N 3 2 255.406 0.686 20 0 CCADLP COCC[N@@H+](CCC1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC001236335272 806567912 /nfs/dbraw/zinc/56/79/12/806567912.db2.gz TUZCKDIVNWKNFN-AWEZNQCLSA-N 3 2 255.406 0.686 20 0 CCADLP CCCCc1[nH]c(CN2C[C@@H](C(=O)OC)[C@H]([NH3+])C2)c[nH+]1 ZINC001236353787 806583820 /nfs/dbraw/zinc/58/38/20/806583820.db2.gz XKKNIGBDRJDTJL-VXGBXAGGSA-N 2 2 280.372 0.684 20 0 CCADLP CCCCc1[nH]cc(CN2C[C@@H](C(=O)OC)[C@H]([NH3+])C2)[nH+]1 ZINC001236353787 806583826 /nfs/dbraw/zinc/58/38/26/806583826.db2.gz XKKNIGBDRJDTJL-VXGBXAGGSA-N 2 2 280.372 0.684 20 0 CCADLP CCOCC[NH2+]C[C@@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001277989806 806598702 /nfs/dbraw/zinc/59/87/02/806598702.db2.gz HJPXSHOQTHHUDC-ZDUSSCGKSA-N 2 2 294.399 0.878 20 0 CCADLP CCNC(=O)C[NH+]1CCC2(CCN(CC[NH+](C)C)C2)CC1 ZINC001278028497 806620092 /nfs/dbraw/zinc/62/00/92/806620092.db2.gz MOWGKIRGYOTVPH-UHFFFAOYSA-N 2 2 296.459 0.472 20 0 CCADLP C[NH+](C)CCC[N@@H+]1C[C@@H]2OCCN(Cc3ccc[nH]3)[C@H]2C1 ZINC001278048729 806637862 /nfs/dbraw/zinc/63/78/62/806637862.db2.gz BFCJIVSRBVNPIP-HOTGVXAUSA-N 2 2 292.427 0.851 20 0 CCADLP C[NH+](C)CCC[N@H+]1C[C@@H]2OCCN(Cc3ccc[nH]3)[C@H]2C1 ZINC001278048729 806637865 /nfs/dbraw/zinc/63/78/65/806637865.db2.gz BFCJIVSRBVNPIP-HOTGVXAUSA-N 2 2 292.427 0.851 20 0 CCADLP c1cn(CC[N@H+]2C[C@H]3C[C@@H](C2)N3CC[NH+]2CCCC2)c[nH+]1 ZINC001278059434 806643122 /nfs/dbraw/zinc/64/31/22/806643122.db2.gz FDPKMBFVDPIPGP-IYBDPMFKSA-N 3 2 289.427 0.737 20 0 CCADLP c1cn(CC[N@@H+]2C[C@H]3C[C@@H](C2)N3CC[NH+]2CCCC2)c[nH+]1 ZINC001278059434 806643124 /nfs/dbraw/zinc/64/31/24/806643124.db2.gz FDPKMBFVDPIPGP-IYBDPMFKSA-N 3 2 289.427 0.737 20 0 CCADLP C[NH+](C)Cc1csc(CNC(=O)[C@H]2C[C@@H]([NH3+])C2)n1 ZINC000722386456 806651176 /nfs/dbraw/zinc/65/11/76/806651176.db2.gz WNAHNLAARNIWDM-DTORHVGOSA-N 2 2 268.386 0.558 20 0 CCADLP CC[NH+](CC)CCN(C)C(=O)c1[nH]nc2c1C[N@H+](C)CC2 ZINC001278097116 806662791 /nfs/dbraw/zinc/66/27/91/806662791.db2.gz WLDMLKYNMMKBKD-UHFFFAOYSA-N 2 2 293.415 0.811 20 0 CCADLP CC[NH+](CC)CCN(C)C(=O)c1[nH]nc2c1C[N@@H+](C)CC2 ZINC001278097116 806662795 /nfs/dbraw/zinc/66/27/95/806662795.db2.gz WLDMLKYNMMKBKD-UHFFFAOYSA-N 2 2 293.415 0.811 20 0 CCADLP O[C@H](C[NH2+][C@H]1Cc2c[nH+]cn2C1)C1(O)CCCC1 ZINC001120515951 798843585 /nfs/dbraw/zinc/84/35/85/798843585.db2.gz LVHQWKAWEYZKLU-CMPLNLGQSA-N 2 2 251.330 0.063 20 0 CCADLP CCOCC[C@H](O)C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC001120573612 798872336 /nfs/dbraw/zinc/87/23/36/798872336.db2.gz RMUXUTHASGXIAN-STQMWFEESA-N 2 2 255.362 0.896 20 0 CCADLP Nc1cc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)nc[nH+]1 ZINC001120895644 798957041 /nfs/dbraw/zinc/95/70/41/798957041.db2.gz GNYGQFFXXLYGEU-MNOVXSKESA-N 2 2 263.345 0.094 20 0 CCADLP CCc1n[nH]cc1C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001237655956 806706698 /nfs/dbraw/zinc/70/66/98/806706698.db2.gz RFRYRCQCOYZJJI-CYBMUJFWSA-N 2 2 293.415 0.614 20 0 CCADLP CCc1n[nH]cc1C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001237655956 806706703 /nfs/dbraw/zinc/70/67/03/806706703.db2.gz RFRYRCQCOYZJJI-CYBMUJFWSA-N 2 2 293.415 0.614 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001122227421 799173747 /nfs/dbraw/zinc/17/37/47/799173747.db2.gz SWCKOORLYBNEJV-WOPDTQHZSA-N 2 2 262.357 0.417 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC001122254552 799180270 /nfs/dbraw/zinc/18/02/70/799180270.db2.gz OWRMKJWQPBNOOU-JSGCOSHPSA-N 2 2 269.389 0.213 20 0 CCADLP COCC[C@H]1C[NH2+]CCN1C(=O)[C@H](C)n1cc[nH+]c1 ZINC001122314304 799194870 /nfs/dbraw/zinc/19/48/70/799194870.db2.gz YQGKPRSEYBRNPG-RYUDHWBXSA-N 2 2 266.345 0.281 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C1=CC[C@H]([NH3+])C1 ZINC001122615521 799275228 /nfs/dbraw/zinc/27/52/28/799275228.db2.gz QGQUHPJHSRPWJS-AAEUAGOBSA-N 2 2 267.373 0.213 20 0 CCADLP CCc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001124879592 799643196 /nfs/dbraw/zinc/64/31/96/799643196.db2.gz XCBZHULPENEAOI-GHMZBOCLSA-N 2 2 295.387 0.493 20 0 CCADLP CCc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001124879592 799643200 /nfs/dbraw/zinc/64/32/00/799643200.db2.gz XCBZHULPENEAOI-GHMZBOCLSA-N 2 2 295.387 0.493 20 0 CCADLP COCC[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139319684 799803533 /nfs/dbraw/zinc/80/35/33/799803533.db2.gz LNDWPHPZWFSQTG-UHFFFAOYSA-N 2 2 284.429 0.973 20 0 CCADLP COCC[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139319684 799803543 /nfs/dbraw/zinc/80/35/43/799803543.db2.gz LNDWPHPZWFSQTG-UHFFFAOYSA-N 2 2 284.429 0.973 20 0 CCADLP [NH3+]C[C@H]1CCCC[N@H+](Cc2cn3c(n2)COCC3)C1 ZINC001206622824 799942934 /nfs/dbraw/zinc/94/29/34/799942934.db2.gz HGSQHYPTCLVIDV-GFCCVEGCSA-N 2 2 264.373 0.974 20 0 CCADLP [NH3+]C[C@H]1CCCC[N@@H+](Cc2cn3c(n2)COCC3)C1 ZINC001206622824 799942939 /nfs/dbraw/zinc/94/29/39/799942939.db2.gz HGSQHYPTCLVIDV-GFCCVEGCSA-N 2 2 264.373 0.974 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cn[nH]c2)C1 ZINC001203100696 799988335 /nfs/dbraw/zinc/98/83/35/799988335.db2.gz CVZXVQXKAWCZQC-GFCCVEGCSA-N 2 2 265.361 0.052 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cn[nH]c2)C1 ZINC001203100696 799988338 /nfs/dbraw/zinc/98/83/38/799988338.db2.gz CVZXVQXKAWCZQC-GFCCVEGCSA-N 2 2 265.361 0.052 20 0 CCADLP C[NH+](C)CCN1C[C@@H]2CC[N@H+](Cc3ccc(=O)[nH]n3)[C@@H]2C1 ZINC001276404308 799989520 /nfs/dbraw/zinc/98/95/20/799989520.db2.gz AGNUZYBCLNQOAL-GXTWGEPZSA-N 2 2 291.399 0.250 20 0 CCADLP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3ccc(=O)[nH]n3)[C@@H]2C1 ZINC001276404308 799989524 /nfs/dbraw/zinc/98/95/24/799989524.db2.gz AGNUZYBCLNQOAL-GXTWGEPZSA-N 2 2 291.399 0.250 20 0 CCADLP [NH3+]CC[NH2+]CCNS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC001238839367 806813050 /nfs/dbraw/zinc/81/30/50/806813050.db2.gz QIYXYYPIYFZOHU-UHFFFAOYSA-N 2 2 297.424 0.392 20 0 CCADLP CC(C)[N@@H+]1CCCO[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001149631015 800284543 /nfs/dbraw/zinc/28/45/43/800284543.db2.gz FEVKPZXFGNEMEO-CYBMUJFWSA-N 2 2 294.399 0.958 20 0 CCADLP CC(C)[N@H+]1CCCO[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001149631015 800284551 /nfs/dbraw/zinc/28/45/51/800284551.db2.gz FEVKPZXFGNEMEO-CYBMUJFWSA-N 2 2 294.399 0.958 20 0 CCADLP CCCC[N@@H+]1CCCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150508277 800341780 /nfs/dbraw/zinc/34/17/80/800341780.db2.gz QJLCKVJCEUTORE-CYBMUJFWSA-N 2 2 294.399 0.959 20 0 CCADLP CCCC[N@H+]1CCCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150508277 800341784 /nfs/dbraw/zinc/34/17/84/800341784.db2.gz QJLCKVJCEUTORE-CYBMUJFWSA-N 2 2 294.399 0.959 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)oc1C ZINC001151049739 800388503 /nfs/dbraw/zinc/38/85/03/800388503.db2.gz XSYLCCXEVYMLEB-LBPRGKRZSA-N 2 2 280.372 0.449 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)oc1C ZINC001151049739 800388508 /nfs/dbraw/zinc/38/85/08/800388508.db2.gz XSYLCCXEVYMLEB-LBPRGKRZSA-N 2 2 280.372 0.449 20 0 CCADLP CCc1noc([C@@H](C)[NH2+]CCNC(=O)C[NH+]2CCCC2)n1 ZINC001151107457 800400087 /nfs/dbraw/zinc/40/00/87/800400087.db2.gz VXFAQRLANLPJNL-LLVKDONJSA-N 2 2 295.387 0.495 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1ncccn1 ZINC001152432174 800520804 /nfs/dbraw/zinc/52/08/04/800520804.db2.gz IELVZDAYPIDYTB-LBPRGKRZSA-N 2 2 279.388 0.584 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1ncccn1 ZINC001152432174 800520809 /nfs/dbraw/zinc/52/08/09/800520809.db2.gz IELVZDAYPIDYTB-LBPRGKRZSA-N 2 2 279.388 0.584 20 0 CCADLP Cn1ccc(C[NH2+]CCNC(=O)CCCn2cc[nH+]c2)n1 ZINC001153345441 800624784 /nfs/dbraw/zinc/62/47/84/800624784.db2.gz VLBRWLPRQBCBJY-UHFFFAOYSA-N 2 2 290.371 0.303 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]Cc1ccncc1Cl ZINC001153487587 800634132 /nfs/dbraw/zinc/63/41/32/800634132.db2.gz GZVWZUUSLAJZIZ-UHFFFAOYSA-N 2 2 293.758 0.838 20 0 CCADLP CCOCCC[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153500857 800637000 /nfs/dbraw/zinc/63/70/00/800637000.db2.gz XBKZNZKTCSNTCJ-UHFFFAOYSA-N 2 2 254.334 0.016 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CCOc1ccccc1 ZINC001153500231 800637095 /nfs/dbraw/zinc/63/70/95/800637095.db2.gz HMEZGFKCSFYPOP-UHFFFAOYSA-N 2 2 288.351 0.668 20 0 CCADLP N=c1ncc(C[NH3+])cn1C(=O)c1cccc2[nH+]ccn21 ZINC001154525380 800794028 /nfs/dbraw/zinc/79/40/28/800794028.db2.gz CYDRQPHPUIFCBG-UHFFFAOYSA-N 2 2 268.280 0.157 20 0 CCADLP CCN(C)c1cc[nH+]c(N[C@@H](C)CN2CC[NH2+]CC2)n1 ZINC001154748393 800837847 /nfs/dbraw/zinc/83/78/47/800837847.db2.gz ZUHRVVUCOXSMPD-LBPRGKRZSA-N 2 2 278.404 0.638 20 0 CCADLP O=C1C[C@@H](CNc2ccc(N3CC[NH2+]CC3)c[nH+]2)CCN1 ZINC001154933625 800873167 /nfs/dbraw/zinc/87/31/67/800873167.db2.gz KBLRCKMZLKOJIZ-LBPRGKRZSA-N 2 2 289.383 0.429 20 0 CCADLP CC[N@H+](CCO)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001155194190 800926770 /nfs/dbraw/zinc/92/67/70/800926770.db2.gz WDMUQLDUOBKRAU-VXGBXAGGSA-N 2 2 294.399 0.649 20 0 CCADLP CC[N@@H+](CCO)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001155194190 800926776 /nfs/dbraw/zinc/92/67/76/800926776.db2.gz WDMUQLDUOBKRAU-VXGBXAGGSA-N 2 2 294.399 0.649 20 0 CCADLP CN(C)c1cc(NCc2nnn3c2C[NH2+]CCC3)[nH+]cn1 ZINC001155391140 800965428 /nfs/dbraw/zinc/96/54/28/800965428.db2.gz WDFFCZCSCHXKAM-UHFFFAOYSA-N 2 2 288.359 0.240 20 0 CCADLP CN(C)c1cc(NCc2nnn3c2C[NH2+]CCC3)nc[nH+]1 ZINC001155391140 800965432 /nfs/dbraw/zinc/96/54/32/800965432.db2.gz WDFFCZCSCHXKAM-UHFFFAOYSA-N 2 2 288.359 0.240 20 0 CCADLP CC[N@H+](CCCO)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155469954 800982901 /nfs/dbraw/zinc/98/29/01/800982901.db2.gz LAXJHYTWNVEGFY-LLVKDONJSA-N 2 2 268.361 0.161 20 0 CCADLP CC[N@@H+](CCCO)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155469954 800982906 /nfs/dbraw/zinc/98/29/06/800982906.db2.gz LAXJHYTWNVEGFY-LLVKDONJSA-N 2 2 268.361 0.161 20 0 CCADLP Cc1cc[nH+]c(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)c1C(N)=O ZINC001155522286 800998194 /nfs/dbraw/zinc/99/81/94/800998194.db2.gz FIJJLLJTMXUGRC-IJLUTSLNSA-N 2 2 290.367 0.525 20 0 CCADLP Cn1ccnc1C[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157255468 801333152 /nfs/dbraw/zinc/33/31/52/801333152.db2.gz CFSVCVKOPHJODM-UHFFFAOYSA-N 2 2 290.371 0.372 20 0 CCADLP Cn1cc(C[NH2+]CCCNC(=O)CCc2[nH]cc[nH+]2)cn1 ZINC001157255773 801333657 /nfs/dbraw/zinc/33/36/57/801333657.db2.gz DDNXUVAJIWKXKS-UHFFFAOYSA-N 2 2 290.371 0.372 20 0 CCADLP c1nc(N[C@@H]2CCC[N@@H+](C3COC3)C2)nc2c1C[NH2+]CC2 ZINC001157581244 801427428 /nfs/dbraw/zinc/42/74/28/801427428.db2.gz YQHXNHCTTHXKMR-GFCCVEGCSA-N 2 2 289.383 0.397 20 0 CCADLP c1nc(N[C@@H]2CCC[N@H+](C3COC3)C2)nc2c1C[NH2+]CC2 ZINC001157581244 801427430 /nfs/dbraw/zinc/42/74/30/801427430.db2.gz YQHXNHCTTHXKMR-GFCCVEGCSA-N 2 2 289.383 0.397 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ncnc3cccnc32)CC1 ZINC001157914395 801519024 /nfs/dbraw/zinc/51/90/24/801519024.db2.gz FRGGLRONFLVXOE-UHFFFAOYSA-N 2 2 271.328 0.619 20 0 CCADLP C[C@]1(CF)CC(F)(F)CN1C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157952889 801539467 /nfs/dbraw/zinc/53/94/67/801539467.db2.gz XUAHEQHFBOQEII-IRUJWGPZSA-N 2 2 291.317 0.534 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(C[C@H]2CCO)CC1 ZINC001158111137 801572229 /nfs/dbraw/zinc/57/22/29/801572229.db2.gz KNWDWXBZHZECGH-YPMHNXCESA-N 2 2 292.383 0.291 20 0 CCADLP Nc1cc(N2CCO[C@H](C[NH+]3CCCC3)C2)nc[nH+]1 ZINC001158306489 801618073 /nfs/dbraw/zinc/61/80/73/801618073.db2.gz OEAOECHLCXJALL-LLVKDONJSA-N 2 2 263.345 0.360 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001158328124 801620589 /nfs/dbraw/zinc/62/05/89/801620589.db2.gz TZFJNRCAUBPQLC-ASXGKARISA-N 2 2 252.293 0.096 20 0 CCADLP COCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001158522126 801661254 /nfs/dbraw/zinc/66/12/54/801661254.db2.gz MQFGLQSJNVPMFQ-CQSZACIVSA-N 2 2 294.399 0.912 20 0 CCADLP CCOC(=O)Cc1ccc[nH+]c1N[C@@H](C)[C@H]1C[NH2+]CCO1 ZINC001159495327 801820212 /nfs/dbraw/zinc/82/02/12/801820212.db2.gz DPJPQYSVVSOBOK-WCQYABFASA-N 2 2 293.367 0.976 20 0 CCADLP [NH3+]CCC[C@@H]([NH3+])Nc1cc(N2CCCCC2)[nH+]cn1 ZINC001159786619 801871215 /nfs/dbraw/zinc/87/12/15/801871215.db2.gz FRAIEKBEIPFWFQ-NSHDSACASA-N 3 2 264.377 0.903 20 0 CCADLP O=C(N(CCO)Cc1cccs1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160443761 801942193 /nfs/dbraw/zinc/94/21/93/801942193.db2.gz OGQIKJBJADGFNO-FZMZJTMJSA-N 2 2 295.408 0.021 20 0 CCADLP O=C(N1CC(Oc2ccccc2)C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160500960 801951728 /nfs/dbraw/zinc/95/17/28/801951728.db2.gz YLFVIGZLCMNDHL-LRDDRELGSA-N 2 2 287.363 0.228 20 0 CCADLP COc1cncnc1N[C@@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160512154 801956162 /nfs/dbraw/zinc/95/61/62/801956162.db2.gz SKVLIYDKULHVPW-ZDUSSCGKSA-N 2 2 263.345 0.320 20 0 CCADLP CN(CCc1cccs1)C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001160531823 801963919 /nfs/dbraw/zinc/96/39/19/801963919.db2.gz ZJMWIJLIMDAEDL-WCFLWFBJSA-N 2 2 279.409 0.699 20 0 CCADLP COC(=O)[C@]1(C)CCCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001160635537 801984028 /nfs/dbraw/zinc/98/40/28/801984028.db2.gz KJGAWOFNRVFIBN-FKGLVLAHSA-N 2 2 295.383 0.010 20 0 CCADLP N[C@]1(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCC[NH2+]C1 ZINC001160693376 802002529 /nfs/dbraw/zinc/00/25/29/802002529.db2.gz LXHODKTXUATVFM-BXUZGUMPSA-N 2 2 277.372 0.197 20 0 CCADLP CN(CC1CCCCC1)C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001160713582 802008800 /nfs/dbraw/zinc/00/88/00/802008800.db2.gz GVRPEBGYZVYWLC-MELADBBJSA-N 2 2 265.401 0.975 20 0 CCADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCc2[nH+]ccn2CC1 ZINC001160761044 802016717 /nfs/dbraw/zinc/01/67/17/802016717.db2.gz UPBALRQJZSVPAP-VXGBXAGGSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCc2[nH+]ccn2CC1 ZINC001160761042 802017002 /nfs/dbraw/zinc/01/70/02/802017002.db2.gz UPBALRQJZSVPAP-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCCC[NH2+]CCO)c[nH+]1 ZINC001160826711 802023032 /nfs/dbraw/zinc/02/30/32/802023032.db2.gz NTYFDJVXRKAUOP-UHFFFAOYSA-N 2 2 268.361 0.015 20 0 CCADLP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C1 ZINC001161051696 802077873 /nfs/dbraw/zinc/07/78/73/802077873.db2.gz YJCJLYHQYROCHB-OCCSQVGLSA-N 3 2 293.415 0.231 20 0 CCADLP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C1 ZINC001161051696 802077876 /nfs/dbraw/zinc/07/78/76/802077876.db2.gz YJCJLYHQYROCHB-OCCSQVGLSA-N 3 2 293.415 0.231 20 0 CCADLP CN(C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161058310 802079457 /nfs/dbraw/zinc/07/94/57/802079457.db2.gz RGPIMHXRSPVOTA-FRRDWIJNSA-N 3 2 279.388 0.018 20 0 CCADLP CCC[NH2+]CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001161214924 802109581 /nfs/dbraw/zinc/10/95/81/802109581.db2.gz JEZRWJPLKTWLIW-GFCCVEGCSA-N 2 2 264.373 0.951 20 0 CCADLP CC1(C)OCCC12CCN(C(=O)C1([NH3+])CC[NH2+]CC1)CC2 ZINC001161238770 802114173 /nfs/dbraw/zinc/11/41/73/802114173.db2.gz APWPJNDXMUXCJR-UHFFFAOYSA-N 2 2 295.427 0.875 20 0 CCADLP NC[C@H]([NH3+])c1ccc(C(=O)N2CC[N@@H+]3CC[C@@H]3C2)cc1 ZINC001161424117 802152792 /nfs/dbraw/zinc/15/27/92/802152792.db2.gz ZDQKWPNGCWFPKL-KGLIPLIRSA-N 2 2 274.368 0.175 20 0 CCADLP NC[C@H]([NH3+])c1ccc(C(=O)N2CC[N@H+]3CC[C@@H]3C2)cc1 ZINC001161424117 802152796 /nfs/dbraw/zinc/15/27/96/802152796.db2.gz ZDQKWPNGCWFPKL-KGLIPLIRSA-N 2 2 274.368 0.175 20 0 CCADLP COc1cnc(Cl)nc1NCC[NH+]1CCC([NH3+])CC1 ZINC001161866868 802234284 /nfs/dbraw/zinc/23/42/84/802234284.db2.gz DKDKGQKBBYMAQI-UHFFFAOYSA-N 2 2 285.779 0.974 20 0 CCADLP C[C@@]1([NH3+])C[C@H](Nc2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001162324995 802321636 /nfs/dbraw/zinc/32/16/36/802321636.db2.gz LAPTXXGKSMZHLN-GSJFWJNXSA-N 2 2 263.345 0.605 20 0 CCADLP C[C@@]1([NH3+])C[C@H](Nc2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001162324995 802321646 /nfs/dbraw/zinc/32/16/46/802321646.db2.gz LAPTXXGKSMZHLN-GSJFWJNXSA-N 2 2 263.345 0.605 20 0 CCADLP C[N@@H+]1CCc2ncnc(NC[C@@H]3C[C@H](F)C[NH2+]3)c2C1 ZINC001162475957 802346222 /nfs/dbraw/zinc/34/62/22/802346222.db2.gz JOQYCFKQNQAVAZ-UWVGGRQHSA-N 2 2 265.336 0.576 20 0 CCADLP C[N@H+]1CCc2ncnc(NC[C@@H]3C[C@H](F)C[NH2+]3)c2C1 ZINC001162475957 802346232 /nfs/dbraw/zinc/34/62/32/802346232.db2.gz JOQYCFKQNQAVAZ-UWVGGRQHSA-N 2 2 265.336 0.576 20 0 CCADLP C1=C[C@H](Nc2cc(N3CCOCC3)nc[nH+]2)[C@H]2C[NH2+]C[C@@H]12 ZINC001162789449 802417308 /nfs/dbraw/zinc/41/73/08/802417308.db2.gz FPZPFCYBPCJPMH-AGIUHOORSA-N 2 2 287.367 0.499 20 0 CCADLP C1=C[C@H](Nc2cc(N3CCOCC3)[nH+]cn2)[C@H]2C[NH2+]C[C@@H]12 ZINC001162789449 802417310 /nfs/dbraw/zinc/41/73/10/802417310.db2.gz FPZPFCYBPCJPMH-AGIUHOORSA-N 2 2 287.367 0.499 20 0 CCADLP [NH3+][C@H]1COC[C@H]1Nc1cc(O[C@@H]2CCOC2)cc[nH+]1 ZINC001162926057 802439115 /nfs/dbraw/zinc/43/91/15/802439115.db2.gz KKOUWEGGTJLJMD-GRYCIOLGSA-N 2 2 265.313 0.387 20 0 CCADLP O=c1cc2[nH]c([NH2+]C[C@]34C[NH2+]C[C@H]3COC4)ccc-2[nH]1 ZINC001163154921 802496601 /nfs/dbraw/zinc/49/66/01/802496601.db2.gz UDSLYOYELVZIAO-XPTSAGLGSA-N 2 2 274.324 0.224 20 0 CCADLP O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2cccn3cc[nH+]c23)N1 ZINC001163238399 802511444 /nfs/dbraw/zinc/51/14/44/802511444.db2.gz BSYDQKQVRLDZPH-GWCFXTLKSA-N 2 2 257.297 0.324 20 0 CCADLP Cc1nc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)c2c([nH+]1)CCCC2 ZINC001163240622 802513498 /nfs/dbraw/zinc/51/34/98/802513498.db2.gz ZIRYMDVLRKWLNR-SWLSCSKDSA-N 2 2 287.367 0.654 20 0 CCADLP O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ccc(Cn3cc[nH+]c3)cn2)N1 ZINC001163240680 802513732 /nfs/dbraw/zinc/51/37/32/802513732.db2.gz ZVZJBIRAYFTUJQ-DOMZBBRYSA-N 2 2 298.350 0.316 20 0 CCADLP COCCOc1cc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)cc[nH+]1 ZINC001163251375 802518167 /nfs/dbraw/zinc/51/81/67/802518167.db2.gz AZDZFVJURQSBKN-RISCZKNCSA-N 2 2 292.339 0.097 20 0 CCADLP C[NH+]1CCN(c2cccc(N3CCn4cnnc4C3)[nH+]2)CC1 ZINC001163680432 802592095 /nfs/dbraw/zinc/59/20/95/802592095.db2.gz QTEIINOOUVONHP-UHFFFAOYSA-N 2 2 299.382 0.445 20 0 CCADLP CCOCC[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001263932860 809609290 /nfs/dbraw/zinc/60/92/90/809609290.db2.gz BWNZFHPNYQBQAB-UONOGXRCSA-N 2 2 294.399 0.794 20 0 CCADLP C[NH+](C)C1CN(c2cccc(N3CCC([NH3+])CC3)[nH+]2)C1 ZINC001163940846 802638310 /nfs/dbraw/zinc/63/83/10/802638310.db2.gz WAMBWPMZHNRWFS-UHFFFAOYSA-N 3 2 275.400 0.759 20 0 CCADLP CCn1ncc(NCC2([NH+](C)C)CC[NH+](C)CC2)cc1=O ZINC001164217679 802690666 /nfs/dbraw/zinc/69/06/66/802690666.db2.gz ZSUCFDYEVPFCNZ-UHFFFAOYSA-N 2 2 293.415 0.701 20 0 CCADLP COC(=O)Cc1cc(N[C@@H]2C[NH2+][C@H](C(=O)OC)C2)cc[nH+]1 ZINC001164311969 802719203 /nfs/dbraw/zinc/71/92/03/802719203.db2.gz GASDHYJCVRDGPA-RYUDHWBXSA-N 2 2 293.323 0.113 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Nc2cc[nH+]c3c2ccn3C)C[NH2+]1 ZINC001164312897 802719791 /nfs/dbraw/zinc/71/97/91/802719791.db2.gz XSTVXPSHSOXXOC-CABZTGNLSA-N 2 2 274.324 0.889 20 0 CCADLP CCCc1cc(N2CCOCC23C[NH2+]C3)nc(C)[nH+]1 ZINC001165288684 802816343 /nfs/dbraw/zinc/81/63/43/802816343.db2.gz MFEALTDSTSYLAT-UHFFFAOYSA-N 2 2 262.357 0.916 20 0 CCADLP Cc1[nH+]c2c(n1-c1cc(Cl)nc(N)n1)CC[NH2+]CC2 ZINC001165352089 802826542 /nfs/dbraw/zinc/82/65/42/802826542.db2.gz NWYHCDWNFVYPOV-UHFFFAOYSA-N 2 2 278.747 0.895 20 0 CCADLP c1cc(N2CCC[C@H]3[NH2+]C[C@H]32)nc(N2CCOCC2)[nH+]1 ZINC001165396056 802835373 /nfs/dbraw/zinc/83/53/73/802835373.db2.gz YKCGFSJHCJXUBI-VXGBXAGGSA-N 2 2 275.356 0.254 20 0 CCADLP Nc1cc(N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)[nH+]cn1 ZINC001165433610 802839255 /nfs/dbraw/zinc/83/92/55/802839255.db2.gz OQMCDTNLRHHLJM-IUCAKERBSA-N 2 2 251.309 0.572 20 0 CCADLP Cc1cnc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)cn1 ZINC001205671758 803153603 /nfs/dbraw/zinc/15/36/03/803153603.db2.gz DCNXLCUKSHITJJ-ZDUSSCGKSA-N 2 2 250.346 0.461 20 0 CCADLP Cc1cnc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)cn1 ZINC001205671758 803153606 /nfs/dbraw/zinc/15/36/06/803153606.db2.gz DCNXLCUKSHITJJ-ZDUSSCGKSA-N 2 2 250.346 0.461 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc3nsnc3c2)C[C@H]1O ZINC001206468465 803247981 /nfs/dbraw/zinc/24/79/81/803247981.db2.gz IOVMJYSJUSMIMJ-JOYOIKCWSA-N 2 2 264.354 0.443 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc3nsnc3c2)C[C@H]1O ZINC001206468465 803247987 /nfs/dbraw/zinc/24/79/87/803247987.db2.gz IOVMJYSJUSMIMJ-JOYOIKCWSA-N 2 2 264.354 0.443 20 0 CCADLP COc1cc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(OC)cc1C ZINC001206481628 803251377 /nfs/dbraw/zinc/25/13/77/803251377.db2.gz VOENACUFUATAAY-QWHCGFSZSA-N 2 2 280.368 0.764 20 0 CCADLP COc1cc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(OC)cc1C ZINC001206481628 803251382 /nfs/dbraw/zinc/25/13/82/803251382.db2.gz VOENACUFUATAAY-QWHCGFSZSA-N 2 2 280.368 0.764 20 0 CCADLP CSc1cc(C)c(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cn1 ZINC001206530893 803261914 /nfs/dbraw/zinc/26/19/14/803261914.db2.gz VFIITLBDXGZTFG-JQWIXIFHSA-N 2 2 267.398 0.863 20 0 CCADLP CSc1cc(C)c(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cn1 ZINC001206530893 803261917 /nfs/dbraw/zinc/26/19/17/803261917.db2.gz VFIITLBDXGZTFG-JQWIXIFHSA-N 2 2 267.398 0.863 20 0 CCADLP CC(C)(CN1CCC(F)(F)[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC001206646423 803276507 /nfs/dbraw/zinc/27/65/07/803276507.db2.gz BRPIDQHXOLKMIF-LLVKDONJSA-N 2 2 277.359 0.766 20 0 CCADLP Cc1cc(C[N@@H+]2CCC(=O)N(CC[NH+](C)C)CC2)no1 ZINC001206819735 803289403 /nfs/dbraw/zinc/28/94/03/803289403.db2.gz QLOWWBWINHLEEV-UHFFFAOYSA-N 2 2 280.372 0.579 20 0 CCADLP Cc1cc(C[N@H+]2CCC(=O)N(CC[NH+](C)C)CC2)no1 ZINC001206819735 803289409 /nfs/dbraw/zinc/28/94/09/803289409.db2.gz QLOWWBWINHLEEV-UHFFFAOYSA-N 2 2 280.372 0.579 20 0 CCADLP C[NH+]1CCN(C2CC[NH+](Cc3cccc(=O)[nH]3)CC2)CC1 ZINC001207069316 803346242 /nfs/dbraw/zinc/34/62/42/803346242.db2.gz OCHAQEBLVNDXKF-UHFFFAOYSA-N 2 2 290.411 0.999 20 0 CCADLP CC(C)(CN1CC([NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC001207304091 803382527 /nfs/dbraw/zinc/38/25/27/803382527.db2.gz JVPSUHJBOFSTHF-UHFFFAOYSA-N 2 2 267.417 0.877 20 0 CCADLP C[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001208057763 803484292 /nfs/dbraw/zinc/48/42/92/803484292.db2.gz SZFXYQKUODRKMX-CHWSQXEVSA-N 2 2 294.399 0.172 20 0 CCADLP C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001208057763 803484295 /nfs/dbraw/zinc/48/42/95/803484295.db2.gz SZFXYQKUODRKMX-CHWSQXEVSA-N 2 2 294.399 0.172 20 0 CCADLP Cc1[nH]c(CN2C[C@@H]3C[N@H+](C)C[C@H](C2)O3)c(C)[nH+]1 ZINC001276565816 803498097 /nfs/dbraw/zinc/49/80/97/803498097.db2.gz JPMCFISPGOZCFP-TXEJJXNPSA-N 2 2 250.346 0.541 20 0 CCADLP Cc1[nH]c(CN2C[C@@H]3C[N@@H+](C)C[C@H](C2)O3)c(C)[nH+]1 ZINC001276565816 803498100 /nfs/dbraw/zinc/49/81/00/803498100.db2.gz JPMCFISPGOZCFP-TXEJJXNPSA-N 2 2 250.346 0.541 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001208299231 803502788 /nfs/dbraw/zinc/50/27/88/803502788.db2.gz LXGOECFWJGWJBW-TZMCWYRMSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001208299231 803502790 /nfs/dbraw/zinc/50/27/90/803502790.db2.gz LXGOECFWJGWJBW-TZMCWYRMSA-N 2 2 294.399 0.958 20 0 CCADLP CN(C)C(=O)NC1CC[NH+](Cc2c[nH+]ccc2N)CC1 ZINC001209733197 803625887 /nfs/dbraw/zinc/62/58/87/803625887.db2.gz RIUTVFCRAIRNLF-UHFFFAOYSA-N 2 2 277.372 0.730 20 0 CCADLP CC1(C)C[N@@H+](C2CN(Cc3c[nH+]ccc3N)C2)CCO1 ZINC001209731550 803626110 /nfs/dbraw/zinc/62/61/10/803626110.db2.gz SSBBWSCLPRERIL-UHFFFAOYSA-N 2 2 276.384 0.789 20 0 CCADLP CC1(C)C[N@H+](C2CN(Cc3c[nH+]ccc3N)C2)CCO1 ZINC001209731550 803626112 /nfs/dbraw/zinc/62/61/12/803626112.db2.gz SSBBWSCLPRERIL-UHFFFAOYSA-N 2 2 276.384 0.789 20 0 CCADLP Nc1cc[nH+]cc1C[N@@H+]1CC[C@@H](Oc2ncccn2)C1 ZINC001209733133 803626384 /nfs/dbraw/zinc/62/63/84/803626384.db2.gz IKKAHBPJARFXFM-GFCCVEGCSA-N 2 2 271.324 0.937 20 0 CCADLP Nc1cc[nH+]cc1C[N@H+]1CC[C@@H](Oc2ncccn2)C1 ZINC001209733133 803626388 /nfs/dbraw/zinc/62/63/88/803626388.db2.gz IKKAHBPJARFXFM-GFCCVEGCSA-N 2 2 271.324 0.937 20 0 CCADLP Nc1cc[nH+]cc1C[NH+]1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001209736101 803627338 /nfs/dbraw/zinc/62/73/38/803627338.db2.gz CUKSRKQDPULEGD-UHFFFAOYSA-N 2 2 288.351 0.513 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209837705 803631955 /nfs/dbraw/zinc/63/19/55/803631955.db2.gz RJMLFFLTQJLLPD-VXGBXAGGSA-N 2 2 280.372 0.568 20 0 CCADLP CC[NH2+]C[C@@H](NC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001276687731 803656237 /nfs/dbraw/zinc/65/62/37/803656237.db2.gz UJGJVYDSARNTBK-GFCCVEGCSA-N 2 2 250.346 0.467 20 0 CCADLP C[C@@H]([NH3+])c1nnc(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001217709188 803903802 /nfs/dbraw/zinc/90/38/02/803903802.db2.gz FFGFHLWZSFZGCK-KXUCPTDWSA-N 2 2 254.334 0.741 20 0 CCADLP C[C@@H]([NH3+])c1nnc(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001217709188 803903815 /nfs/dbraw/zinc/90/38/15/803903815.db2.gz FFGFHLWZSFZGCK-KXUCPTDWSA-N 2 2 254.334 0.741 20 0 CCADLP C[C@@H]1C[N@@H+](CCc2nnc([C@H]3[NH2+]CC[C@@H]3O)o2)C[C@H](C)O1 ZINC001217748621 803909776 /nfs/dbraw/zinc/90/97/76/803909776.db2.gz LDOQJMJWXKPFCK-NOHGZBONSA-N 2 2 296.371 0.117 20 0 CCADLP C[C@@H]1C[N@H+](CCc2nnc([C@H]3[NH2+]CC[C@@H]3O)o2)C[C@H](C)O1 ZINC001217748621 803909779 /nfs/dbraw/zinc/90/97/79/803909779.db2.gz LDOQJMJWXKPFCK-NOHGZBONSA-N 2 2 296.371 0.117 20 0 CCADLP CCCc1nnc([C@H]([NH3+])CN2CCC([NH3+])CC2)o1 ZINC001217757708 803912800 /nfs/dbraw/zinc/91/28/00/803912800.db2.gz REUUGTNOFRTAOI-SNVBAGLBSA-N 2 2 253.350 0.445 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cnc2c(c1)COCC2 ZINC001218500498 803966091 /nfs/dbraw/zinc/96/60/91/803966091.db2.gz BUEIFALNKDPFDB-LBPRGKRZSA-N 2 2 287.323 0.386 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccncc1Oc1ccccc1 ZINC001218512445 803976987 /nfs/dbraw/zinc/97/69/87/803976987.db2.gz VXNIBQIQHJXWOD-LBPRGKRZSA-N 2 2 286.335 0.910 20 0 CCADLP CC(C)(C)Cc1cc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])on1 ZINC001218521153 803984660 /nfs/dbraw/zinc/98/46/60/803984660.db2.gz XWPOEIBKNBKQDB-UWVGGRQHSA-N 2 2 266.345 0.748 20 0 CCADLP COc1cc(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)no1 ZINC001218574568 804017884 /nfs/dbraw/zinc/01/78/84/804017884.db2.gz WGOIGJLUTKITAP-SNVBAGLBSA-N 2 2 276.296 0.894 20 0 CCADLP Cn1nc(C(C)(C)C)cc1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218605469 804031843 /nfs/dbraw/zinc/03/18/43/804031843.db2.gz GNMGROVDKHKWBJ-SNVBAGLBSA-N 2 2 290.371 0.949 20 0 CCADLP O=C(Nc1cc[nH+]c2c1CCC2)[C@H]1CC[NH2+]C[C@H]1F ZINC001218620027 804037251 /nfs/dbraw/zinc/03/72/51/804037251.db2.gz HSSIQSFPSIFPES-GXSJLCMTSA-N 2 2 263.316 0.878 20 0 CCADLP Cc1ncc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)nc1C ZINC001218625109 804040983 /nfs/dbraw/zinc/04/09/83/804040983.db2.gz SXJGDWLNFHCLPV-SNVBAGLBSA-N 2 2 260.301 0.325 20 0 CCADLP Cc1cc(C)n2nc(NC(=O)[C@H]([NH3+])Cc3c[nH+]c[nH]3)cc2n1 ZINC001218628833 804046614 /nfs/dbraw/zinc/04/66/14/804046614.db2.gz SOGJMCGEAYNEJB-LLVKDONJSA-N 2 2 299.338 0.578 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)Nc2ccn3cnnc3c2)cc1 ZINC001218659274 804068785 /nfs/dbraw/zinc/06/87/85/804068785.db2.gz PFJRXPPKTQYIRN-ZDUSSCGKSA-N 2 2 296.334 0.940 20 0 CCADLP CC(C)Cn1cnc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)c1 ZINC001218748673 804107464 /nfs/dbraw/zinc/10/74/64/804107464.db2.gz PLRPUKNRTIMLKV-LLVKDONJSA-N 2 2 276.344 0.771 20 0 CCADLP O=C(C[C@H]1COCC[NH2+]1)Nc1ccn2cc[nH+]c2c1 ZINC001218787726 804119456 /nfs/dbraw/zinc/11/94/56/804119456.db2.gz JKRHMHSGGVKQRD-NSHDSACASA-N 2 2 260.297 0.651 20 0 CCADLP N[C@]1(C(=O)Nc2ccn3cc[nH+]c3c2)CCC[NH2+]C1 ZINC001218787192 804119527 /nfs/dbraw/zinc/11/95/27/804119527.db2.gz BFFXZZXTNGCGFP-CYBMUJFWSA-N 2 2 259.313 0.354 20 0 CCADLP [NH3+]C1(C(=O)Nc2nnccc2C(F)(F)F)CC[NH2+]CC1 ZINC001218802653 804125812 /nfs/dbraw/zinc/12/58/12/804125812.db2.gz ZOIAIPHCQAKMRV-UHFFFAOYSA-N 2 2 289.261 0.515 20 0 CCADLP COc1cc(OC)c(NC(=O)[C@@H]([NH3+])CC[NH3+])cc1Cl ZINC001218808128 804127871 /nfs/dbraw/zinc/12/78/71/804127871.db2.gz CYJZABDYLBBBRA-QMMMGPOBSA-N 2 2 287.747 0.972 20 0 CCADLP N[C@]1(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)CC[NH2+]C1 ZINC001218811307 804129516 /nfs/dbraw/zinc/12/95/16/804129516.db2.gz GEWSBGAIIYIMJS-CQSZACIVSA-N 2 2 271.324 0.502 20 0 CCADLP N[C@@]1(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)CCC[NH2+]C1 ZINC001218812196 804131848 /nfs/dbraw/zinc/13/18/48/804131848.db2.gz OVBSTRPRIXDRGL-HNNXBMFYSA-N 2 2 285.351 0.892 20 0 CCADLP N[C@]1(C(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)CC[NH2+]C1 ZINC001218847738 804139436 /nfs/dbraw/zinc/13/94/36/804139436.db2.gz JROUBGLGFMTXAC-OAHLLOKOSA-N 2 2 285.351 0.561 20 0 CCADLP CC(C)CNC(=O)c1cccc(NC(=O)[C@@H]([NH3+])CC[NH3+])c1 ZINC001218957351 804166882 /nfs/dbraw/zinc/16/68/82/804166882.db2.gz WVOKFPKBDFQVGE-ZDUSSCGKSA-N 2 2 292.383 0.687 20 0 CCADLP CC(=O)Oc1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc1 ZINC001219101954 804198200 /nfs/dbraw/zinc/19/82/00/804198200.db2.gz OTSTYYPQGQJSCV-RYUDHWBXSA-N 2 2 263.297 0.097 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccccc1-c1cc[nH]n1 ZINC001219124290 804210267 /nfs/dbraw/zinc/21/02/67/804210267.db2.gz KIOWUQJZYPKTSP-JTQLQIEISA-N 2 2 259.313 0.691 20 0 CCADLP COc1cc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc2cccnc21 ZINC001219201397 804234225 /nfs/dbraw/zinc/23/42/25/804234225.db2.gz ACCULYZNPYPPBJ-NSHDSACASA-N 2 2 274.324 0.858 20 0 CCADLP Nc1ccc2c(c1)CCCN2C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001219266777 804252344 /nfs/dbraw/zinc/25/23/44/804252344.db2.gz WWDVVTURGQUPQN-ZDUSSCGKSA-N 2 2 285.351 0.841 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1c(F)cccc1OC1COC1 ZINC001219381951 804293216 /nfs/dbraw/zinc/29/32/16/804293216.db2.gz ILEAFUBHEIGAFB-ONGXEEELSA-N 2 2 295.314 0.089 20 0 CCADLP O=C(NCCn1cc[nH+]c1)[C@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001219563925 804351453 /nfs/dbraw/zinc/35/14/53/804351453.db2.gz NQWJVJGTGLBMSP-HIFRSBDPSA-N 2 2 292.383 0.548 20 0 CCADLP CC(C)C[C@H](CO)NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001219630663 804383143 /nfs/dbraw/zinc/38/31/43/804383143.db2.gz HRXIMHCCITYNCD-ZIAGYGMSSA-N 2 2 279.384 0.782 20 0 CCADLP O=C(N[C@H]1C[NH2+]Cc2ccsc21)C1(F)C[NH2+]C1 ZINC001219824033 804429726 /nfs/dbraw/zinc/42/97/26/804429726.db2.gz XLAJFJLGICJMEM-QMMMGPOBSA-N 2 2 255.318 0.320 20 0 CCADLP COc1ccc(O[C@@H](C)CNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc1 ZINC001219948059 804454834 /nfs/dbraw/zinc/45/48/34/804454834.db2.gz JLPBJQFFVFGIMX-BPNCWPANSA-N 2 2 293.367 0.125 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC001219954798 804458356 /nfs/dbraw/zinc/45/83/56/804458356.db2.gz SIJFYIYCBUINEH-YPMHNXCESA-N 3 2 268.405 0.104 20 0 CCADLP O=C(NCc1n[nH]c2ccccc21)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220044880 804482394 /nfs/dbraw/zinc/48/23/94/804482394.db2.gz CNHXHNKNNPULLC-BMIGLBTASA-N 2 2 285.351 0.131 20 0 CCADLP CC(C)=CC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220105816 804500391 /nfs/dbraw/zinc/50/03/91/804500391.db2.gz MZOYSIVGUMKNRY-KGLIPLIRSA-N 2 2 292.383 0.401 20 0 CCADLP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220105816 804500398 /nfs/dbraw/zinc/50/03/98/804500398.db2.gz MZOYSIVGUMKNRY-KGLIPLIRSA-N 2 2 292.383 0.401 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001220160343 804520982 /nfs/dbraw/zinc/52/09/82/804520982.db2.gz YBPCTVUORNXRKI-CYBMUJFWSA-N 3 2 280.416 0.069 20 0 CCADLP O=C(NCC1([NH+]2CCCC2)COC1)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001220197696 804534527 /nfs/dbraw/zinc/53/45/27/804534527.db2.gz OKUPMMNAUAFDJS-RYUDHWBXSA-N 2 2 285.363 0.058 20 0 CCADLP CC1(C)C[C@H](CNC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)O1 ZINC001220200657 804536007 /nfs/dbraw/zinc/53/60/07/804536007.db2.gz QEVYVYJAVJNURV-CHWSQXEVSA-N 2 2 277.368 0.942 20 0 CCADLP C[N@@H+]1CCC[C@H]1CCNC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220254325 804551720 /nfs/dbraw/zinc/55/17/20/804551720.db2.gz ODXYBSHRXGTHLS-GJZGRUSLSA-N 3 2 290.411 0.859 20 0 CCADLP C[N@H+]1CCC[C@H]1CCNC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220254325 804551724 /nfs/dbraw/zinc/55/17/24/804551724.db2.gz ODXYBSHRXGTHLS-GJZGRUSLSA-N 3 2 290.411 0.859 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CCNC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220254324 804551954 /nfs/dbraw/zinc/55/19/54/804551954.db2.gz ODXYBSHRXGTHLS-CABCVRRESA-N 3 2 290.411 0.859 20 0 CCADLP C[N@H+]1CCC[C@@H]1CCNC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220254324 804551958 /nfs/dbraw/zinc/55/19/58/804551958.db2.gz ODXYBSHRXGTHLS-CABCVRRESA-N 3 2 290.411 0.859 20 0 CCADLP COc1cc2c(cc1C)C[C@@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C2 ZINC001220378453 804587814 /nfs/dbraw/zinc/58/78/14/804587814.db2.gz AGTSIFPZJWGXGS-RDBSUJKOSA-N 2 2 289.379 0.134 20 0 CCADLP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001220384647 804590865 /nfs/dbraw/zinc/59/08/65/804590865.db2.gz ZPCGPICOXRBQCK-STQMWFEESA-N 3 2 276.384 0.798 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](O)C1CCCCC1 ZINC001220467488 804610255 /nfs/dbraw/zinc/61/02/55/804610255.db2.gz YCHWCSBWSGNOOW-QWHCGFSZSA-N 2 2 280.372 0.337 20 0 CCADLP COC(=O)[C@@H]([NH3+])CC(=O)NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001220510734 804619029 /nfs/dbraw/zinc/61/90/29/804619029.db2.gz KCICROJBTGXJGW-NSHDSACASA-N 2 2 299.415 0.644 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCc1nccc(Cl)n1 ZINC001220529883 804620466 /nfs/dbraw/zinc/62/04/66/804620466.db2.gz KIJFJTYKDXEQBI-VIFPVBQESA-N 2 2 294.746 0.050 20 0 CCADLP N=C(NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)c1cccnc1Cl ZINC001220660920 804645611 /nfs/dbraw/zinc/64/56/11/804645611.db2.gz OQWQDRKQJJYEHX-OQPBUACISA-N 2 2 293.758 0.128 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001220679419 804648967 /nfs/dbraw/zinc/64/89/67/804648967.db2.gz ZJCKYAVHQVLOPU-WGBDABJCSA-N 3 2 277.372 0.069 20 0 CCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C/C=C\Cl)C[C@@H]1O ZINC001220689877 804649740 /nfs/dbraw/zinc/64/97/40/804649740.db2.gz VLNPJIIGKMELRD-GJJFQZOLSA-N 2 2 289.807 0.242 20 0 CCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C/C=C\Cl)C[C@@H]1O ZINC001220689877 804649744 /nfs/dbraw/zinc/64/97/44/804649744.db2.gz VLNPJIIGKMELRD-GJJFQZOLSA-N 2 2 289.807 0.242 20 0 CCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001220689877 804649748 /nfs/dbraw/zinc/64/97/48/804649748.db2.gz VLNPJIIGKMELRD-GJJFQZOLSA-N 2 2 289.807 0.242 20 0 CCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001220689877 804649753 /nfs/dbraw/zinc/64/97/53/804649753.db2.gz VLNPJIIGKMELRD-GJJFQZOLSA-N 2 2 289.807 0.242 20 0 CCADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@]13C[NH2+]C[C@@H]1CC[NH2+]3)C2 ZINC001220717068 804654525 /nfs/dbraw/zinc/65/45/25/804654525.db2.gz YILWEBZSJMHAHC-IPVBOJNNSA-N 3 2 292.427 0.069 20 0 CCADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@]13C[NH2+]C[C@@H]1CC[NH2+]3)C2 ZINC001220717068 804654528 /nfs/dbraw/zinc/65/45/28/804654528.db2.gz YILWEBZSJMHAHC-IPVBOJNNSA-N 3 2 292.427 0.069 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H](c1ccccc1)C1(O)CCC1 ZINC001220727979 804657131 /nfs/dbraw/zinc/65/71/31/804657131.db2.gz VOGWAXHKDHYZKV-MELADBBJSA-N 2 2 289.379 0.306 20 0 CCADLP COC1CCC(CCNC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001220755008 804660587 /nfs/dbraw/zinc/66/05/87/804660587.db2.gz YDYQHXDMFIRCIT-UXUKBGGZSA-N 2 2 294.399 0.991 20 0 CCADLP [NH3+][C@@]12CC[C@@](NC(=O)c3n[nH]c4c3C[NH2+]C4)(C1)CCC2 ZINC001220784021 804667964 /nfs/dbraw/zinc/66/79/64/804667964.db2.gz MYOLWHNBVUSIAJ-UONOGXRCSA-N 2 2 275.356 0.547 20 0 CCADLP O=C(NC1(C(F)(F)F)CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220838537 804677645 /nfs/dbraw/zinc/67/76/45/804677645.db2.gz TXNPFJWZJLKHFI-OIBJUYFYSA-N 2 2 263.263 0.149 20 0 CCADLP O=C(NCCc1c[nH]c2cc[nH+]cc12)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220866386 804684087 /nfs/dbraw/zinc/68/40/87/804684087.db2.gz XHEMJVQJSCNESH-WBMJQRKESA-N 3 2 299.378 0.173 20 0 CCADLP COCc1ccc(CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)cc1 ZINC001220934693 804703398 /nfs/dbraw/zinc/70/33/98/804703398.db2.gz TWMBTYSRXQPGTI-SOUVJXGZSA-N 2 2 289.379 0.399 20 0 CCADLP Cc1cc2c(cn1)[C@H](NC(=O)C1([NH3+])CC[NH2+]CC1)CC2 ZINC001220959941 804708680 /nfs/dbraw/zinc/70/86/80/804708680.db2.gz CLIHGPJOJOGOQG-CYBMUJFWSA-N 2 2 274.368 0.574 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC001221063098 804726158 /nfs/dbraw/zinc/72/61/58/804726158.db2.gz LYOXYLHPNSRQKD-GJZGRUSLSA-N 3 2 290.411 0.443 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC001221063098 804726163 /nfs/dbraw/zinc/72/61/63/804726163.db2.gz LYOXYLHPNSRQKD-GJZGRUSLSA-N 3 2 290.411 0.443 20 0 CCADLP O=C(NC[C@@H]1CCc2ccccc21)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221100066 804729641 /nfs/dbraw/zinc/72/96/41/804729641.db2.gz BQYNBORHARHSCG-VBQJREDUSA-N 2 2 285.391 0.784 20 0 CCADLP Cc1ccccc1C(C)(C)NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001221170832 804739148 /nfs/dbraw/zinc/73/91/48/804739148.db2.gz UCAIBQVHIVNAQC-AAEUAGOBSA-N 2 2 261.369 0.893 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCC2(Cc3ccccc3F)CC2)C1 ZINC001221172946 804741028 /nfs/dbraw/zinc/74/10/28/804741028.db2.gz UBGRYBZNKSVKKT-OCCSQVGLSA-N 2 2 291.370 0.954 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221246316 804757358 /nfs/dbraw/zinc/75/73/58/804757358.db2.gz XOTAEMUKKPEFNB-UKRRQHHQSA-N 3 2 291.399 0.318 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)[C@@H](C)C1 ZINC001221406797 804807719 /nfs/dbraw/zinc/80/77/19/804807719.db2.gz ILMHKNWGFDADBL-SBJFKYEJSA-N 3 2 294.443 0.171 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)[C@@H](C)C1 ZINC001221406797 804807723 /nfs/dbraw/zinc/80/77/23/804807723.db2.gz ILMHKNWGFDADBL-SBJFKYEJSA-N 3 2 294.443 0.171 20 0 CCADLP CC[C@H](C[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)OC ZINC001222099657 804868841 /nfs/dbraw/zinc/86/88/41/804868841.db2.gz ZQULJFKRWGGQAG-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP Cc1cccc(N2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)[nH+]1 ZINC001276981267 805056848 /nfs/dbraw/zinc/05/68/48/805056848.db2.gz WCPOBRSSPJASFU-CABCVRRESA-N 2 2 290.411 0.841 20 0 CCADLP C[C@@H](O)C[NH+]1CCC(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001224672455 805067411 /nfs/dbraw/zinc/06/74/11/805067411.db2.gz IJUNMKCOBCKRER-LLVKDONJSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@H](O)C[NH+]1CCC(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001224957780 805096205 /nfs/dbraw/zinc/09/62/05/805096205.db2.gz MYJZFNKRCVEMRD-NSHDSACASA-N 2 2 280.372 0.161 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC1CC[NH+](CCF)CC1 ZINC001225167878 805111848 /nfs/dbraw/zinc/11/18/48/805111848.db2.gz DWMNGOUGEZCMSO-UHFFFAOYSA-N 2 2 282.363 0.760 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC1CC[NH+](C[C@H](C)O)CC1 ZINC001225286238 805118784 /nfs/dbraw/zinc/11/87/84/805118784.db2.gz SKUUBFXNBRUCLS-NSHDSACASA-N 2 2 294.399 0.470 20 0 CCADLP COC[C@H](C)[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001225675589 805150229 /nfs/dbraw/zinc/15/02/29/805150229.db2.gz ALHQDCKWAAYMTR-ZDUSSCGKSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@@H](CCC[NH2+]CCF)NC(=O)Cc1c[nH+]cn1C ZINC001277335636 805484465 /nfs/dbraw/zinc/48/44/65/805484465.db2.gz SVYWHSBNIQSUHV-NSHDSACASA-N 2 2 270.352 0.807 20 0 CCADLP COCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001229933087 805568720 /nfs/dbraw/zinc/56/87/20/805568720.db2.gz FSQOMQRKLIKEBH-CHWSQXEVSA-N 2 2 294.399 0.924 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001245978026 807104146 /nfs/dbraw/zinc/10/41/46/807104146.db2.gz YVKHIDUBSHDEOX-HZSPNIEDSA-N 3 2 257.422 0.667 20 0 CCADLP COc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCC[NH2+]C1 ZINC001245978600 807104873 /nfs/dbraw/zinc/10/48/73/807104873.db2.gz CTGWQLLIMUNHQR-QWHCGFSZSA-N 2 2 280.368 0.777 20 0 CCADLP C[C@H]([NH3+])CC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001245999051 807111397 /nfs/dbraw/zinc/11/13/97/807111397.db2.gz IIUAJPFQGOCYMS-HOCLYGCPSA-N 3 2 277.412 0.950 20 0 CCADLP C[C@H]([NH3+])CC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001245999051 807111403 /nfs/dbraw/zinc/11/14/03/807111403.db2.gz IIUAJPFQGOCYMS-HOCLYGCPSA-N 3 2 277.412 0.950 20 0 CCADLP F[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[C@H](n2ncnn2)C1 ZINC001246091228 807150274 /nfs/dbraw/zinc/15/02/74/807150274.db2.gz HCRMCSMIOWCTHW-YFKTTZPYSA-N 2 2 268.340 0.446 20 0 CCADLP O=C1CC[C@@H]2C[C@H]([NH2+][C@H]3CC[NH2+]C[C@@H]3F)CCN12 ZINC001246099423 807152429 /nfs/dbraw/zinc/15/24/29/807152429.db2.gz QYHISPHLPDTCCR-WYUUTHIRSA-N 2 2 255.337 0.429 20 0 CCADLP CC(=O)N1CCC[C@H]([NH2+]C[C@H]2CC[C@@H](C)C[NH2+]2)C1 ZINC001246108946 807155528 /nfs/dbraw/zinc/15/55/28/807155528.db2.gz XDKLXFVGBLFMRY-BNOWGMLFSA-N 2 2 253.390 0.975 20 0 CCADLP O=C1CC[C@H]2C[C@H]([NH2+][C@H]3CC[NH2+]C[C@@H]3F)CCN12 ZINC001246112642 807157174 /nfs/dbraw/zinc/15/71/74/807157174.db2.gz QYHISPHLPDTCCR-RHYQMDGZSA-N 2 2 255.337 0.429 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]C[C@@H]2[C@H](N[C@H]3CCCC[NH2+]C3)CC[C@@H]21 ZINC001246151172 807168571 /nfs/dbraw/zinc/16/85/71/807168571.db2.gz PGBDAVCOYUTWPF-LXFSFDBISA-N 2 2 295.427 0.648 20 0 CCADLP C[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H](O)[C@H]3OC(C)(C)O[C@@H]23)C[NH2+]1 ZINC001246216963 807190533 /nfs/dbraw/zinc/19/05/33/807190533.db2.gz CQPQWXCBASGDKH-JQPUBBMISA-N 2 2 270.373 0.370 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CCCC[C@@H]2[NH+](C)C)CN1 ZINC001246226273 807193016 /nfs/dbraw/zinc/19/30/16/807193016.db2.gz CLCXHRNYSJVGNO-RFGFWPKPSA-N 2 2 283.416 0.742 20 0 CCADLP CC(C)[NH+]1CCN(CC[NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC001246238568 807195744 /nfs/dbraw/zinc/19/57/44/807195744.db2.gz PYDRKQCONBUOMH-CQSZACIVSA-N 3 2 254.422 0.354 20 0 CCADLP COc1ccc(C[C@@H](CO)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC001246277199 807206108 /nfs/dbraw/zinc/20/61/08/807206108.db2.gz GJAAJTUVUZRKLY-KGLIPLIRSA-N 2 2 264.369 0.940 20 0 CCADLP OC[C@H]1C[NH2+]C[C@@H]1[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC001246306568 807217168 /nfs/dbraw/zinc/21/71/68/807217168.db2.gz KUCREZHPFAYGJE-KOLCDFICSA-N 2 2 281.322 0.183 20 0 CCADLP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246360644 807233307 /nfs/dbraw/zinc/23/33/07/807233307.db2.gz GYZZCTHAQDIEQX-KGLIPLIRSA-N 3 2 280.460 0.933 20 0 CCADLP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246360644 807233311 /nfs/dbraw/zinc/23/33/11/807233311.db2.gz GYZZCTHAQDIEQX-KGLIPLIRSA-N 3 2 280.460 0.933 20 0 CCADLP CCOC(=O)CC[C@H](C)[NH2+][C@@H](CCC[NH3+])C(=O)OC ZINC001246399933 807241562 /nfs/dbraw/zinc/24/15/62/807241562.db2.gz BJPOTMXTJQQXHD-QWRGUYRKSA-N 2 2 274.361 0.588 20 0 CCADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246464727 807258165 /nfs/dbraw/zinc/25/81/65/807258165.db2.gz GEYIKPLDDAEFPF-BZPMIXESSA-N 2 2 294.399 0.624 20 0 CCADLP CC[C@@]1(C(=O)OC)C[C@@H](N[C@H](C[NH3+])CC(C)C)C[NH2+]1 ZINC001246504266 807267228 /nfs/dbraw/zinc/26/72/28/807267228.db2.gz PUCYXDLNYKEVML-SCRDCRAPSA-N 2 2 271.405 0.633 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]([NH3+])CC2)CN1 ZINC001246544787 807281437 /nfs/dbraw/zinc/28/14/37/807281437.db2.gz ZBUHOVYNADSCQV-AGIUHOORSA-N 2 2 283.416 0.872 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@H]([N@H+]2CCC[C@@H]([NH3+])CC2)CN1 ZINC001246544787 807281441 /nfs/dbraw/zinc/28/14/41/807281441.db2.gz ZBUHOVYNADSCQV-AGIUHOORSA-N 2 2 283.416 0.872 20 0 CCADLP CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]([NH3+])[C@H](O)C2)C1 ZINC001246562229 807290072 /nfs/dbraw/zinc/29/00/72/807290072.db2.gz ZDFVTSXZSPDHFZ-DDHJBXDOSA-N 2 2 256.346 0.112 20 0 CCADLP CCOC(=O)C[C@@H]1CC[C@@H]([N@H+]2C[C@@H]([NH3+])[C@H](O)C2)C1 ZINC001246562229 807290076 /nfs/dbraw/zinc/29/00/76/807290076.db2.gz ZDFVTSXZSPDHFZ-DDHJBXDOSA-N 2 2 256.346 0.112 20 0 CCADLP C[C@@H](CC(F)(F)F)[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246639986 807340576 /nfs/dbraw/zinc/34/05/76/807340576.db2.gz CYGMOBVXOQDVBF-UWVGGRQHSA-N 2 2 251.296 0.965 20 0 CCADLP C[C@@H](CC(F)(F)F)[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246639986 807340583 /nfs/dbraw/zinc/34/05/83/807340583.db2.gz CYGMOBVXOQDVBF-UWVGGRQHSA-N 2 2 251.296 0.965 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC23CC[NH2+]CC3)CN1 ZINC001246644178 807343649 /nfs/dbraw/zinc/34/36/49/807343649.db2.gz WWOFLQDVJQBPTL-NEPJUHHUSA-N 2 2 267.373 0.108 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCC23CC[NH2+]CC3)CN1 ZINC001246644178 807343658 /nfs/dbraw/zinc/34/36/58/807343658.db2.gz WWOFLQDVJQBPTL-NEPJUHHUSA-N 2 2 267.373 0.108 20 0 CCADLP c1ccc2c(c1)C[NH2+][C@@H]1C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]21 ZINC001246666333 807351128 /nfs/dbraw/zinc/35/11/28/807351128.db2.gz TVEHJTUUHSZSMH-BHYGNILZSA-N 3 2 298.434 0.652 20 0 CCADLP c1ccc2c(c1)C[NH2+][C@@H]1C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]21 ZINC001246666333 807351136 /nfs/dbraw/zinc/35/11/36/807351136.db2.gz TVEHJTUUHSZSMH-BHYGNILZSA-N 3 2 298.434 0.652 20 0 CCADLP CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+]([C@@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246711256 807362373 /nfs/dbraw/zinc/36/23/73/807362373.db2.gz SUBHWLOTVFTEED-KYEXWDHISA-N 2 2 281.400 0.354 20 0 CCADLP CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+]([C@@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246711256 807362381 /nfs/dbraw/zinc/36/23/81/807362381.db2.gz SUBHWLOTVFTEED-KYEXWDHISA-N 2 2 281.400 0.354 20 0 CCADLP COCC[N@H+](C1CCN(C(C)=O)CC1)[C@@H]1CCC[NH2+]C1 ZINC001246779048 807376796 /nfs/dbraw/zinc/37/67/96/807376796.db2.gz PEAYMWFMRZPVRL-OAHLLOKOSA-N 2 2 283.416 0.698 20 0 CCADLP COCC[N@@H+](C1CCN(C(C)=O)CC1)[C@@H]1CCC[NH2+]C1 ZINC001246779048 807376804 /nfs/dbraw/zinc/37/68/04/807376804.db2.gz PEAYMWFMRZPVRL-OAHLLOKOSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@@H]1C[C@H](N2CC[NH+](CC(=O)N3CCCC3)CC2)CC[NH2+]1 ZINC001246793346 807381146 /nfs/dbraw/zinc/38/11/46/807381146.db2.gz YGVBOTSFVMOQHI-HUUCEWRRSA-N 2 2 294.443 0.367 20 0 CCADLP C1CC1c1nnc2n1CC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246795858 807384613 /nfs/dbraw/zinc/38/46/13/807384613.db2.gz HVVTZXAXYGRERP-LBPRGKRZSA-N 2 2 288.399 0.065 20 0 CCADLP C1CC1c1nnc2n1CC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246795858 807384619 /nfs/dbraw/zinc/38/46/19/807384619.db2.gz HVVTZXAXYGRERP-LBPRGKRZSA-N 2 2 288.399 0.065 20 0 CCADLP O=C([C@@H]1CCCC[N@@H+]1C1CC[NH2+]CC1)N1CCOCC1 ZINC001246798246 807386341 /nfs/dbraw/zinc/38/63/41/807386341.db2.gz NFUQMWUAWHYGNI-AWEZNQCLSA-N 2 2 281.400 0.452 20 0 CCADLP O=C([C@@H]1CCCC[N@H+]1C1CC[NH2+]CC1)N1CCOCC1 ZINC001246798246 807386349 /nfs/dbraw/zinc/38/63/49/807386349.db2.gz NFUQMWUAWHYGNI-AWEZNQCLSA-N 2 2 281.400 0.452 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N2CC[NH+](C(C)(C)C)CC2)C[NH2+]1 ZINC001246808426 807391972 /nfs/dbraw/zinc/39/19/72/807391972.db2.gz AOCAPUPSGSSFTF-RYUDHWBXSA-N 2 2 269.389 0.306 20 0 CCADLP CCN(CC[NH+]1CCCCC1)[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246846188 807405353 /nfs/dbraw/zinc/40/53/53/807405353.db2.gz NDMTXYWEXIEIGJ-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H](n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)CN1 ZINC001246850747 807406820 /nfs/dbraw/zinc/40/68/20/807406820.db2.gz WTLRSDOMVGTIOU-UPJWGTAASA-N 2 2 292.383 0.816 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C[C@H]1[NH3+] ZINC001246929986 807431913 /nfs/dbraw/zinc/43/19/13/807431913.db2.gz JBZGWLKLIRIPQS-RGCMKSIDSA-N 3 2 281.400 0.341 20 0 CCADLP COC(=O)[C@@H]1C[N@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C[C@H]1[NH3+] ZINC001246929986 807431917 /nfs/dbraw/zinc/43/19/17/807431917.db2.gz JBZGWLKLIRIPQS-RGCMKSIDSA-N 3 2 281.400 0.341 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C2CCC([NH+](C)C)CC2)C[C@H]1[NH3+] ZINC001246929507 807432316 /nfs/dbraw/zinc/43/23/16/807432316.db2.gz DWOFVTKBSLGXEX-FIYWTHMPSA-N 3 2 269.389 0.291 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C2CCC([NH+](C)C)CC2)C[C@H]1[NH3+] ZINC001246929507 807432320 /nfs/dbraw/zinc/43/23/20/807432320.db2.gz DWOFVTKBSLGXEX-FIYWTHMPSA-N 3 2 269.389 0.291 20 0 CCADLP CC[N@H+](C[C@H]1CC[NH2+]C1)[C@H]1CN[C@H](C(=O)OC(C)(C)C)C1 ZINC001246942704 807438005 /nfs/dbraw/zinc/43/80/05/807438005.db2.gz OHCLRDOGAUJUPS-MJBXVCDLSA-N 2 2 297.443 0.990 20 0 CCADLP CC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H]1CN[C@H](C(=O)OC(C)(C)C)C1 ZINC001246942704 807438010 /nfs/dbraw/zinc/43/80/10/807438010.db2.gz OHCLRDOGAUJUPS-MJBXVCDLSA-N 2 2 297.443 0.990 20 0 CCADLP CC[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CN[C@@](CC)(C(=O)OC)C1 ZINC001246949012 807439274 /nfs/dbraw/zinc/43/92/74/807439274.db2.gz RRISZJDFFJRERK-VNHYZAJKSA-N 2 2 283.416 0.602 20 0 CCADLP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CN[C@@](CC)(C(=O)OC)C1 ZINC001246949012 807439278 /nfs/dbraw/zinc/43/92/78/807439278.db2.gz RRISZJDFFJRERK-VNHYZAJKSA-N 2 2 283.416 0.602 20 0 CCADLP [NH3+]C[C@H]([NH3+])Cc1nc(-c2cncc(Br)c2)no1 ZINC001249128991 807544302 /nfs/dbraw/zinc/54/43/02/807544302.db2.gz JNZNGNANPBFUFS-MRVPVSSYSA-N 2 2 298.144 0.723 20 0 CCADLP [NH3+]C[C@H]([NH3+])Cc1nc(-c2ccc3c(c2)CCC3=O)no1 ZINC001249128965 807544975 /nfs/dbraw/zinc/54/49/75/807544975.db2.gz JBLFKWODZCBXDV-SNVBAGLBSA-N 2 2 272.308 0.694 20 0 CCADLP COc1c(F)ccc(-c2noc(C[C@@H]([NH3+])C[NH3+])n2)c1F ZINC001249130235 807546410 /nfs/dbraw/zinc/54/64/10/807546410.db2.gz ZNNUOYGTTFBZKZ-ZCFIWIBFSA-N 2 2 284.266 0.852 20 0 CCADLP Cc1cc(C)[nH+]c(NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC001251001472 807634191 /nfs/dbraw/zinc/63/41/91/807634191.db2.gz JIXBIZBCAIUIMY-CYBMUJFWSA-N 2 2 265.357 0.803 20 0 CCADLP CN(C)c1cc[nH+]cc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC001251005973 807637426 /nfs/dbraw/zinc/63/74/26/807637426.db2.gz AYFRSTAOCQCCAM-GFCCVEGCSA-N 2 2 280.372 0.253 20 0 CCADLP CCCCC[NH+]1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC001251014688 807641337 /nfs/dbraw/zinc/64/13/37/807641337.db2.gz FSWZUMSQWQHNBR-MRXNPFEDSA-N 2 2 299.459 0.487 20 0 CCADLP C[N@H+](C1CC1)C1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC001251019965 807643579 /nfs/dbraw/zinc/64/35/79/807643579.db2.gz ASBOIUXIPXKGMY-INIZCTEOSA-N 2 2 297.443 0.238 20 0 CCADLP C[N@@H+](C1CC1)C1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC001251019965 807643583 /nfs/dbraw/zinc/64/35/83/807643583.db2.gz ASBOIUXIPXKGMY-INIZCTEOSA-N 2 2 297.443 0.238 20 0 CCADLP CCOC[C@H](O)C[N@H+](CCOC)C1CC[NH+](C)CC1 ZINC001252025416 807764817 /nfs/dbraw/zinc/76/48/17/807764817.db2.gz CUHVBHOOWHQYRU-CQSZACIVSA-N 2 2 274.405 0.426 20 0 CCADLP CCOC[C@H](O)C[N@@H+](CCOC)C1CC[NH+](C)CC1 ZINC001252025416 807764822 /nfs/dbraw/zinc/76/48/22/807764822.db2.gz CUHVBHOOWHQYRU-CQSZACIVSA-N 2 2 274.405 0.426 20 0 CCADLP CCOC[C@@H](O)C[NH2+]CCSCc1[nH]c[nH+]c1C ZINC001252044071 807774795 /nfs/dbraw/zinc/77/47/95/807774795.db2.gz NKKHNTWPLUGCIV-NSHDSACASA-N 2 2 273.402 0.938 20 0 CCADLP CCCC[C@@H](O)C[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001252090950 807795054 /nfs/dbraw/zinc/79/50/54/807795054.db2.gz OEQDTFLFEZNBGB-MRXNPFEDSA-N 2 2 299.459 0.487 20 0 CCADLP O=C1C[C@@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CN1 ZINC001252948268 807988296 /nfs/dbraw/zinc/98/82/96/807988296.db2.gz LSUIKTJPZJASQA-GDBMZVCRSA-N 2 2 289.379 0.102 20 0 CCADLP O=C1C[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CN1 ZINC001252948268 807988301 /nfs/dbraw/zinc/98/83/01/807988301.db2.gz LSUIKTJPZJASQA-GDBMZVCRSA-N 2 2 289.379 0.102 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH+]1CCC(c2nncn2C)CC1 ZINC001253188048 808022650 /nfs/dbraw/zinc/02/26/50/808022650.db2.gz NWFQJCUBWRPTES-AWEZNQCLSA-N 2 2 295.431 0.697 20 0 CCADLP CCCCC[C@@H](O)C[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001253563254 808080520 /nfs/dbraw/zinc/08/05/20/808080520.db2.gz JLVYTAKODPDRGM-CYBMUJFWSA-N 2 2 258.406 0.974 20 0 CCADLP Cn1cc[nH+]c1CC[NH2+]C[C@H](O)C(=O)OC(C)(C)C ZINC001253713285 808127227 /nfs/dbraw/zinc/12/72/27/808127227.db2.gz BOEBTSIPBDFQOG-JTQLQIEISA-N 2 2 269.345 0.255 20 0 CCADLP CC(C)(C)[C@H](O)C[NH2+]CCC(=O)NCCc1c[nH]c[nH+]1 ZINC001253747646 808131283 /nfs/dbraw/zinc/13/12/83/808131283.db2.gz ZVLMVFXVUKXZQQ-GFCCVEGCSA-N 2 2 282.388 0.455 20 0 CCADLP CC(C)(C)[C@H](O)C[NH2+]CCC(=O)NCCc1c[nH+]c[nH]1 ZINC001253747646 808131288 /nfs/dbraw/zinc/13/12/88/808131288.db2.gz ZVLMVFXVUKXZQQ-GFCCVEGCSA-N 2 2 282.388 0.455 20 0 CCADLP COc1cccc(OC[C@H](O)C[NH2+]CCc2[nH]cc[nH+]2)c1 ZINC001253972351 808165009 /nfs/dbraw/zinc/16/50/09/808165009.db2.gz MSOASDLVWGWPHQ-GFCCVEGCSA-N 2 2 291.351 0.990 20 0 CCADLP c1cn2c(cccc2-c2cn(C[C@@H]3C[NH2+]CCO3)nn2)[nH+]1 ZINC001254058351 808171927 /nfs/dbraw/zinc/17/19/27/808171927.db2.gz CKQMIGFHGTVJAA-NSHDSACASA-N 2 2 284.323 0.581 20 0 CCADLP C(C[NH+]1CCOCC1)N1CC[NH+]([C@H]2CCCOC2)CC1 ZINC001254384799 808228342 /nfs/dbraw/zinc/22/83/42/808228342.db2.gz SJTYHVPZXVOEEI-HNNXBMFYSA-N 2 2 283.416 0.115 20 0 CCADLP CCOC(=O)C[NH+]1CCC(n2cc(CC[NH3+])cn2)CC1 ZINC001254395573 808232170 /nfs/dbraw/zinc/23/21/70/808232170.db2.gz QMKPSRYFAVDHEP-UHFFFAOYSA-N 2 2 280.372 0.584 20 0 CCADLP C[N@H+](CCN1CC[NH+](C)CC1)[C@@H]1CCC[NH+](C)CC1 ZINC001254526441 808256153 /nfs/dbraw/zinc/25/61/53/808256153.db2.gz RRKQPURATVLZNU-OAHLLOKOSA-N 3 2 268.449 0.650 20 0 CCADLP C[N@@H+](CCN1CC[NH+](C)CC1)[C@@H]1CCC[NH+](C)CC1 ZINC001254526441 808256157 /nfs/dbraw/zinc/25/61/57/808256157.db2.gz RRKQPURATVLZNU-OAHLLOKOSA-N 3 2 268.449 0.650 20 0 CCADLP C[NH+](CCN1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254526441 808256162 /nfs/dbraw/zinc/25/61/62/808256162.db2.gz RRKQPURATVLZNU-OAHLLOKOSA-N 3 2 268.449 0.650 20 0 CCADLP C[NH+](CCN1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254526441 808256166 /nfs/dbraw/zinc/25/61/66/808256166.db2.gz RRKQPURATVLZNU-OAHLLOKOSA-N 3 2 268.449 0.650 20 0 CCADLP O[C@@H]1CCN(CC[NH2+][C@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254840752 808285017 /nfs/dbraw/zinc/28/50/17/808285017.db2.gz NJFAVOYQJBBKME-UONOGXRCSA-N 2 2 253.390 0.127 20 0 CCADLP [NH3+]CCC[NH+]1CCN([C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254841275 808285292 /nfs/dbraw/zinc/28/52/92/808285292.db2.gz VYRHXICMAWFOTA-HNNXBMFYSA-N 3 2 266.433 0.437 20 0 CCADLP CN1C(=O)CC[C@@H]1C[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254840014 808285872 /nfs/dbraw/zinc/28/58/72/808285872.db2.gz AAUNNCPYVUGLPS-CHWSQXEVSA-N 2 2 251.374 0.681 20 0 CCADLP COC(=O)CC(CC(=O)OC)[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254848541 808286646 /nfs/dbraw/zinc/28/66/46/808286646.db2.gz PNSOOXSRXFIPCG-CYBMUJFWSA-N 2 2 298.383 0.555 20 0 CCADLP CNC(=O)N1CCC([NH2+][C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254845731 808286959 /nfs/dbraw/zinc/28/69/59/808286959.db2.gz RCUVCSFECGSBHE-AWEZNQCLSA-N 2 2 280.416 0.864 20 0 CCADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@H]1CCS(=O)(=O)C1 ZINC001255941496 808440061 /nfs/dbraw/zinc/44/00/61/808440061.db2.gz SCMBJAWHWJXYNR-RYUDHWBXSA-N 2 2 262.419 0.884 20 0 CCADLP C[NH+]1CCC([NH2+][C@@H]2COCCC23OCCO3)CC1 ZINC001256196697 808475598 /nfs/dbraw/zinc/47/55/98/808475598.db2.gz VTPDDRCWVJSUKR-GFCCVEGCSA-N 2 2 256.346 0.202 20 0 CCADLP CC(=O)N1CCC2(CC1)C[N@H+](C1CC[NH+](C)CC1)CCO2 ZINC001256205821 808479322 /nfs/dbraw/zinc/47/93/22/808479322.db2.gz ZUFKKCHZFORDIP-UHFFFAOYSA-N 2 2 295.427 0.794 20 0 CCADLP CC(=O)N1CCC2(CC1)C[N@@H+](C1CC[NH+](C)CC1)CCO2 ZINC001256205821 808479326 /nfs/dbraw/zinc/47/93/26/808479326.db2.gz ZUFKKCHZFORDIP-UHFFFAOYSA-N 2 2 295.427 0.794 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CC(=O)N2CCOCC2)C1 ZINC001256321098 808493514 /nfs/dbraw/zinc/49/35/14/808493514.db2.gz DQHPNSZFBKCTEO-UONOGXRCSA-N 2 2 283.416 0.696 20 0 CCADLP CC(C)[N@H+]1CC[C@@H]([NH2+][C@@H](C)CC(=O)N2CCOCC2)C1 ZINC001256321098 808493520 /nfs/dbraw/zinc/49/35/20/808493520.db2.gz DQHPNSZFBKCTEO-UONOGXRCSA-N 2 2 283.416 0.696 20 0 CCADLP COC(=O)C[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256677707 808546334 /nfs/dbraw/zinc/54/63/34/808546334.db2.gz HJEZAZRPHIEODM-UHFFFAOYSA-N 2 2 256.346 0.392 20 0 CCADLP CCOC(=O)[C@H]1CC[C@@H]([NH+]2CC(N3CC[NH+](C)CC3)C2)C1 ZINC001257071200 808589551 /nfs/dbraw/zinc/58/95/51/808589551.db2.gz PRLTZTFGDPSBDD-UONOGXRCSA-N 2 2 295.427 0.650 20 0 CCADLP COC(=O)C1CCC([N@@H+]2CCO[C@H](C[NH3+])C2)CC1 ZINC001257854648 808638624 /nfs/dbraw/zinc/63/86/24/808638624.db2.gz FQBNKDZLJCQOCA-HTAVTVPLSA-N 2 2 256.346 0.378 20 0 CCADLP COC(=O)C1CCC([N@H+]2CCO[C@H](C[NH3+])C2)CC1 ZINC001257854648 808638628 /nfs/dbraw/zinc/63/86/28/808638628.db2.gz FQBNKDZLJCQOCA-HTAVTVPLSA-N 2 2 256.346 0.378 20 0 CCADLP CC(C)C[NH+]1CCC([NH2+][C@@H](C)C(=O)N[C@@H](C)C(N)=O)CC1 ZINC001258008677 808647758 /nfs/dbraw/zinc/64/77/58/808647758.db2.gz CLIJYUQTNAAOFE-RYUDHWBXSA-N 2 2 298.431 0.075 20 0 CCADLP COc1ccccc1C[C@@H](C)[NH2+][C@@H]1COC[C@H]1[NH3+] ZINC001258878832 808703412 /nfs/dbraw/zinc/70/34/12/808703412.db2.gz ABHSHZLAWNBBOC-RAIGVLPGSA-N 2 2 250.342 0.942 20 0 CCADLP Cc1cc(C)c(CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])c[nH+]1 ZINC001261632924 809036541 /nfs/dbraw/zinc/03/65/41/809036541.db2.gz QJVARSPJTJHWTD-UHFFFAOYSA-N 2 2 292.383 0.510 20 0 CCADLP C[C@H](CC(=O)NCC1([NH3+])CCOCC1)n1cc[nH+]c1 ZINC001262009341 809153106 /nfs/dbraw/zinc/15/31/06/809153106.db2.gz SRLOVRWEXWNIEO-LLVKDONJSA-N 2 2 266.345 0.458 20 0 CCADLP OC[C@H]1C[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC001262011533 809155380 /nfs/dbraw/zinc/15/53/80/809155380.db2.gz OUQQBHFAKGTABK-KWCYVHTRSA-N 2 2 254.374 0.600 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC001262094403 809188806 /nfs/dbraw/zinc/18/88/06/809188806.db2.gz HYWUDUDCBRJSAY-VXGBXAGGSA-N 2 2 263.345 0.456 20 0 CCADLP CC(C)(CNc1cc[nH+]c(N)n1)[NH+]1CCOCC1 ZINC001262676085 809391492 /nfs/dbraw/zinc/39/14/92/809391492.db2.gz NUXQNCWTISVAMT-UHFFFAOYSA-N 2 2 251.334 0.582 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)CCSCCC[NH3+] ZINC001263095897 809441930 /nfs/dbraw/zinc/44/19/30/809441930.db2.gz ZVABSZWBRKXCIG-GFCCVEGCSA-N 2 2 289.445 0.295 20 0 CCADLP COCC1(C(=O)NCc2[nH]c[nH+]c2C)CC[NH2+]CC1 ZINC000379981073 809519082 /nfs/dbraw/zinc/51/90/82/809519082.db2.gz XRWJGGKGZSWUEA-UHFFFAOYSA-N 2 2 266.345 0.351 20 0 CCADLP O=C(C[NH2+]C1CC[NH+](C2CC2)CC1)N1CCCC1 ZINC000385166485 809625846 /nfs/dbraw/zinc/62/58/46/809625846.db2.gz DWOOQWIMEYXNHZ-UHFFFAOYSA-N 2 2 251.374 0.825 20 0 CCADLP CCOCC[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001265504695 809793493 /nfs/dbraw/zinc/79/34/93/809793493.db2.gz FIFVGDOFGZVGIB-JOCQHMNTSA-N 2 2 294.399 0.626 20 0 CCADLP COCC[NH2+][C@@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001265777696 809850800 /nfs/dbraw/zinc/85/08/00/809850800.db2.gz SCCWYSWODMBQBM-LBPRGKRZSA-N 2 2 294.399 0.503 20 0 CCADLP COCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001265792992 809854800 /nfs/dbraw/zinc/85/48/00/809854800.db2.gz ZHUXKHDZEYBFKA-RYUDHWBXSA-N 2 2 280.372 0.186 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001265792321 809855048 /nfs/dbraw/zinc/85/50/48/809855048.db2.gz LKRNPHFPWAXRBQ-MNOVXSKESA-N 2 2 250.346 0.560 20 0 CCADLP C[C@@H](O)CCC[NH2+][C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001265844016 809874150 /nfs/dbraw/zinc/87/41/50/809874150.db2.gz QYLHUQQTULUKIJ-WDEREUQCSA-N 2 2 268.361 0.208 20 0 CCADLP CCNC(=O)C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702620630 809932414 /nfs/dbraw/zinc/93/24/14/809932414.db2.gz ADMAQJVWOMDUQW-INIZCTEOSA-N 2 2 291.395 0.349 20 0 CCADLP CCNC(=O)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702620630 809932418 /nfs/dbraw/zinc/93/24/18/809932418.db2.gz ADMAQJVWOMDUQW-INIZCTEOSA-N 2 2 291.395 0.349 20 0 CCADLP [NH3+][C@@H](CC(=O)NCCC[NH+]1CCCCC1)C(F)F ZINC000724772847 811150112 /nfs/dbraw/zinc/15/01/12/811150112.db2.gz RYAKZVOSZDZCOS-JTQLQIEISA-N 2 2 263.332 0.961 20 0 CCADLP CN(CC[NH2+]C[C@@H]1CCOC1)C(=O)CCn1cc[nH+]c1 ZINC001267410318 811285913 /nfs/dbraw/zinc/28/59/13/811285913.db2.gz HGAGCZASMSYJOZ-ZDUSSCGKSA-N 2 2 280.372 0.358 20 0 CCADLP C[NH2+]Cc1cc(N[C@@H]2CCC[N@@H+](C3COC3)C2)ncn1 ZINC001168368034 815439769 /nfs/dbraw/zinc/43/97/69/815439769.db2.gz CXIZGWCHEQNZCZ-LLVKDONJSA-N 2 2 277.372 0.471 20 0 CCADLP C[NH2+]Cc1cc(N[C@@H]2CCC[N@H+](C3COC3)C2)ncn1 ZINC001168368034 815439772 /nfs/dbraw/zinc/43/97/72/815439772.db2.gz CXIZGWCHEQNZCZ-LLVKDONJSA-N 2 2 277.372 0.471 20 0 CCADLP Cc1ncc(C[NH2+]CCN(C)C(=O)Cn2cc[nH+]c2)s1 ZINC001267478808 811361500 /nfs/dbraw/zinc/36/15/00/811361500.db2.gz KKKXWXUJSFQHDS-UHFFFAOYSA-N 2 2 293.396 0.896 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@H](C)C1)n1cc[nH+]c1 ZINC001219642339 811692499 /nfs/dbraw/zinc/69/24/99/811692499.db2.gz RZJAFVCXABYRCT-UTUOFQBUSA-N 2 2 250.346 0.806 20 0 CCADLP O=C(NC[C@@H]1CCC[N@H+]1CCO)c1cc2c[nH+]ccc2[nH]1 ZINC001027970466 812176372 /nfs/dbraw/zinc/17/63/72/812176372.db2.gz KTFIRPVVJZXNLJ-LBPRGKRZSA-N 2 2 288.351 0.749 20 0 CCADLP O=C(NC[C@@H]1CCC[N@@H+]1CCO)c1cc2c[nH+]ccc2[nH]1 ZINC001027970466 812176377 /nfs/dbraw/zinc/17/63/77/812176377.db2.gz KTFIRPVVJZXNLJ-LBPRGKRZSA-N 2 2 288.351 0.749 20 0 CCADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1[NH2+]CCCO ZINC001268145151 812303087 /nfs/dbraw/zinc/30/30/87/812303087.db2.gz ZVAQQEBTZBOPEL-GXTWGEPZSA-N 2 2 294.399 0.172 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CCCC[C@H]1CC[NH2+]CCO ZINC001268156294 812313517 /nfs/dbraw/zinc/31/35/17/812313517.db2.gz XANUXCQYEXFOTL-AWEZNQCLSA-N 2 2 294.399 0.695 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CCCC[C@H]1CC[NH2+]CCO ZINC001268156294 812313527 /nfs/dbraw/zinc/31/35/27/812313527.db2.gz XANUXCQYEXFOTL-AWEZNQCLSA-N 2 2 294.399 0.695 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC1(C[NH2+]C[C@@H](C)O)CC1 ZINC001167900321 812474031 /nfs/dbraw/zinc/47/40/31/812474031.db2.gz HEJWMUUDDXTQAU-LLVKDONJSA-N 2 2 294.399 0.518 20 0 CCADLP C[C@@H](CC[NH2+]Cc1nncs1)NC(=O)Cn1cc[nH+]c1 ZINC001268433175 812565223 /nfs/dbraw/zinc/56/52/23/812565223.db2.gz YFFUAUXLWSDWBE-JTQLQIEISA-N 2 2 294.384 0.419 20 0 CCADLP COC(=O)[C@@H]([NH3+])Cc1ccc(NC(=[NH2+])SCC[NH3+])cc1 ZINC001167914589 812594570 /nfs/dbraw/zinc/59/45/70/812594570.db2.gz NAIWGBYDVOZZIL-NSHDSACASA-N 3 2 296.396 0.768 20 0 CCADLP COc1ccc(OC)c(-c2noc([C@H]3C[NH2+]C[C@@H]3[NH3+])n2)c1 ZINC001211755554 812669812 /nfs/dbraw/zinc/66/98/12/812669812.db2.gz SHELGZORFXXFOI-QWRGUYRKSA-N 2 2 290.323 0.768 20 0 CCADLP COc1cccc(-c2noc([C@H]3C[NH2+]C[C@@H]3[NH3+])n2)c1F ZINC001211755325 812670979 /nfs/dbraw/zinc/67/09/79/812670979.db2.gz HIIFCLNDFMMAIN-IUCAKERBSA-N 2 2 278.287 0.898 20 0 CCADLP CCN(CC[NH2+]Cc1nnc(C)o1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268497310 812710977 /nfs/dbraw/zinc/71/09/77/812710977.db2.gz LGNKWFUMZGEHCM-GFCCVEGCSA-N 2 2 295.387 0.268 20 0 CCADLP CCN(CC[NH2+]Cc1nnc(C)o1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268497310 812710983 /nfs/dbraw/zinc/71/09/83/812710983.db2.gz LGNKWFUMZGEHCM-GFCCVEGCSA-N 2 2 295.387 0.268 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](Cc2cnon2)C1 ZINC001028446744 812712473 /nfs/dbraw/zinc/71/24/73/812712473.db2.gz HQZACAICTCAFHF-AAEUAGOBSA-N 2 2 293.371 0.102 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](Cc2cnon2)C1 ZINC001028446744 812712482 /nfs/dbraw/zinc/71/24/82/812712482.db2.gz HQZACAICTCAFHF-AAEUAGOBSA-N 2 2 293.371 0.102 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cnon2)C1 ZINC001028446744 812712489 /nfs/dbraw/zinc/71/24/89/812712489.db2.gz HQZACAICTCAFHF-AAEUAGOBSA-N 2 2 293.371 0.102 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001028446744 812712493 /nfs/dbraw/zinc/71/24/93/812712493.db2.gz HQZACAICTCAFHF-AAEUAGOBSA-N 2 2 293.371 0.102 20 0 CCADLP CO[C@@H]1C[N@@H+](C(C)C)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001213204304 812735838 /nfs/dbraw/zinc/73/58/38/812735838.db2.gz BOLNZMSREHIIEE-CHWSQXEVSA-N 2 2 294.399 0.577 20 0 CCADLP CO[C@@H]1C[N@H+](C(C)C)C[C@H]1NC(=O)CCc1[nH+]ccn1C ZINC001213204304 812735846 /nfs/dbraw/zinc/73/58/46/812735846.db2.gz BOLNZMSREHIIEE-CHWSQXEVSA-N 2 2 294.399 0.577 20 0 CCADLP CC(C)CC[NH+]1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001268917136 813146517 /nfs/dbraw/zinc/14/65/17/813146517.db2.gz LJGBIULHFYOTEE-UHFFFAOYSA-N 2 2 264.373 0.977 20 0 CCADLP C[N@@H+]1CCO[C@]2(CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001269840740 813527013 /nfs/dbraw/zinc/52/70/13/813527013.db2.gz KZZKGDCSGHDITL-CQSZACIVSA-N 2 2 278.356 0.206 20 0 CCADLP C[N@H+]1CCO[C@]2(CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001269840740 813527018 /nfs/dbraw/zinc/52/70/18/813527018.db2.gz KZZKGDCSGHDITL-CQSZACIVSA-N 2 2 278.356 0.206 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCCO)CCN1C(=O)Cc1c[nH+]cn1C ZINC001269981686 813572194 /nfs/dbraw/zinc/57/21/94/813572194.db2.gz PHKWJGUKUCHYAV-STQMWFEESA-N 2 2 294.399 0.314 20 0 CCADLP C[C@H]1CC[C@@H](C[NH2+]CCNC(=O)CCc2[nH]cc[nH+]2)O1 ZINC001126437011 813586061 /nfs/dbraw/zinc/58/60/61/813586061.db2.gz RGIRTUHCLKMJLM-RYUDHWBXSA-N 2 2 280.372 0.616 20 0 CCADLP CC(C)(C(=O)N1CCC[C@@H]1C[NH2+]CCO)c1c[nH+]c[nH]1 ZINC001270293134 813710375 /nfs/dbraw/zinc/71/03/75/813710375.db2.gz HIWQDERYANVANB-LLVKDONJSA-N 2 2 280.372 0.260 20 0 CCADLP C[NH+]1CCCC[C@H]1C(=O)N1CCC[C@]2(C1)C[N@H+](C)CCO2 ZINC001270618250 813840256 /nfs/dbraw/zinc/84/02/56/813840256.db2.gz WFAHKQIXNMHLGT-GOEBONIOSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+]1CCCC[C@H]1C(=O)N1CCC[C@]2(C1)C[N@@H+](C)CCO2 ZINC001270618250 813840265 /nfs/dbraw/zinc/84/02/65/813840265.db2.gz WFAHKQIXNMHLGT-GOEBONIOSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+]1CCO[C@]2(CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001270618250 813840271 /nfs/dbraw/zinc/84/02/71/813840271.db2.gz WFAHKQIXNMHLGT-GOEBONIOSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+]1CCO[C@]2(CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001270618250 813840283 /nfs/dbraw/zinc/84/02/83/813840283.db2.gz WFAHKQIXNMHLGT-GOEBONIOSA-N 2 2 295.427 0.794 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+]C[C@H]1CCOC1 ZINC001167977760 813881642 /nfs/dbraw/zinc/88/16/42/813881642.db2.gz IZTRLVMOODRNME-QWHCGFSZSA-N 2 2 294.399 0.721 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+]C[C@H]1CCOC1 ZINC001167977760 813881654 /nfs/dbraw/zinc/88/16/54/813881654.db2.gz IZTRLVMOODRNME-QWHCGFSZSA-N 2 2 294.399 0.721 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H](C)C[NH2+]CCCO ZINC001271137612 814198714 /nfs/dbraw/zinc/19/87/14/814198714.db2.gz QSNIIKVXCDMCEF-RYUDHWBXSA-N 2 2 282.388 0.407 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H](C)C[NH2+]CCCO ZINC001271137612 814198717 /nfs/dbraw/zinc/19/87/17/814198717.db2.gz QSNIIKVXCDMCEF-RYUDHWBXSA-N 2 2 282.388 0.407 20 0 CCADLP C[C@@H](C(=O)N1CC2(C1)C[NH+](Cc1ccc[nH]1)C2)[NH+](C)C ZINC001271148036 814210307 /nfs/dbraw/zinc/21/03/07/814210307.db2.gz RHNFXJZGTHKBBT-LBPRGKRZSA-N 2 2 276.384 0.609 20 0 CCADLP C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3ccc(N)[nH+]c3)[C@@H]2C1 ZINC001271815402 814590717 /nfs/dbraw/zinc/59/07/17/814590717.db2.gz HMGHCTTTZWMHEO-QWHCGFSZSA-N 2 2 274.368 0.759 20 0 CCADLP C[N@H+]1C[C@@H]2CCN(C(=O)CCc3ccc(N)[nH+]c3)[C@@H]2C1 ZINC001271815402 814590725 /nfs/dbraw/zinc/59/07/25/814590725.db2.gz HMGHCTTTZWMHEO-QWHCGFSZSA-N 2 2 274.368 0.759 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1csnn1 ZINC001127066765 815625632 /nfs/dbraw/zinc/62/56/32/815625632.db2.gz SCTYLGXWSUFPID-LBPRGKRZSA-N 2 2 297.428 0.617 20 0 CCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1csnn1 ZINC001127066765 815625635 /nfs/dbraw/zinc/62/56/35/815625635.db2.gz SCTYLGXWSUFPID-LBPRGKRZSA-N 2 2 297.428 0.617 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](CC[C@@H]2CCCO2)C1 ZINC001030160734 815851989 /nfs/dbraw/zinc/85/19/89/815851989.db2.gz FXHDLYBJPZYTGQ-KBPBESRZSA-N 2 2 281.400 0.450 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+](CCC(C)(C)C)C2)C1 ZINC001030181750 815874242 /nfs/dbraw/zinc/87/42/42/815874242.db2.gz GCWAOSHBKCMBBP-CYBMUJFWSA-N 2 2 283.416 0.554 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)NC2C[NH+](CCC(C)(C)C)C2)C1 ZINC001030181750 815874246 /nfs/dbraw/zinc/87/42/46/815874246.db2.gz GCWAOSHBKCMBBP-CYBMUJFWSA-N 2 2 283.416 0.554 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001030301072 815965811 /nfs/dbraw/zinc/96/58/11/815965811.db2.gz CEYHKRDNXRVOKH-GXTWGEPZSA-N 2 2 283.416 0.695 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001030301072 815965816 /nfs/dbraw/zinc/96/58/16/815965816.db2.gz CEYHKRDNXRVOKH-GXTWGEPZSA-N 2 2 283.416 0.695 20 0 CCADLP O=C(NC1C[NH+](CCCO)C1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001030306325 815968667 /nfs/dbraw/zinc/96/86/67/815968667.db2.gz PAIFPGVVJYXESY-JSGCOSHPSA-N 2 2 281.400 0.044 20 0 CCADLP O=C(NC1C[NH+](CCCO)C1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001030306325 815968670 /nfs/dbraw/zinc/96/86/70/815968670.db2.gz PAIFPGVVJYXESY-JSGCOSHPSA-N 2 2 281.400 0.044 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC[N@@H+]1CCO ZINC001088849613 816068113 /nfs/dbraw/zinc/06/81/13/816068113.db2.gz YQULIBFEBKIKAG-UTUOFQBUSA-N 2 2 292.383 0.401 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC[N@H+]1CCO ZINC001088849613 816068123 /nfs/dbraw/zinc/06/81/23/816068123.db2.gz YQULIBFEBKIKAG-UTUOFQBUSA-N 2 2 292.383 0.401 20 0 CCADLP CON(C)C(=O)CC[NH2+]CC(C)(C)n1cc[nH+]c1 ZINC001120610983 816160609 /nfs/dbraw/zinc/16/06/09/816160609.db2.gz OXBCOGSVBUCAQX-UHFFFAOYSA-N 2 2 254.334 0.618 20 0 CCADLP C[N@@H+]1CCC12CN(C(=O)[C@@H]1CCC[NH+]1CC1CC1)C2 ZINC001272291552 816277248 /nfs/dbraw/zinc/27/72/48/816277248.db2.gz CZRQZWFCHQIZHX-ZDUSSCGKSA-N 2 2 263.385 0.777 20 0 CCADLP C[N@H+]1CCC12CN(C(=O)[C@@H]1CCC[NH+]1CC1CC1)C2 ZINC001272291552 816277251 /nfs/dbraw/zinc/27/72/51/816277251.db2.gz CZRQZWFCHQIZHX-ZDUSSCGKSA-N 2 2 263.385 0.777 20 0 CCADLP C[NH+]1CCC12CN(C(=O)[C@@H]1CCC[N@@H+]1CC1CC1)C2 ZINC001272291552 816277256 /nfs/dbraw/zinc/27/72/56/816277256.db2.gz CZRQZWFCHQIZHX-ZDUSSCGKSA-N 2 2 263.385 0.777 20 0 CCADLP C[NH+]1CCC12CN(C(=O)[C@@H]1CCC[N@H+]1CC1CC1)C2 ZINC001272291552 816277258 /nfs/dbraw/zinc/27/72/58/816277258.db2.gz CZRQZWFCHQIZHX-ZDUSSCGKSA-N 2 2 263.385 0.777 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001030783664 816288524 /nfs/dbraw/zinc/28/85/24/816288524.db2.gz AATNOGAOZZKJCP-GFCCVEGCSA-N 2 2 283.416 0.696 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@H](CO)Nc1cc[nH+]c(C)n1 ZINC001121888503 816469132 /nfs/dbraw/zinc/46/91/32/816469132.db2.gz SPTVSIMDWQNGPH-GFCCVEGCSA-N 2 2 295.387 0.016 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@H](CO)Nc1cc[nH+]c(C)n1 ZINC001121888503 816469138 /nfs/dbraw/zinc/46/91/38/816469138.db2.gz SPTVSIMDWQNGPH-GFCCVEGCSA-N 2 2 295.387 0.016 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001030959356 816504820 /nfs/dbraw/zinc/50/48/20/816504820.db2.gz AKJPEMJJQWYKJG-PWSUYJOCSA-N 2 2 257.353 0.344 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001030959356 816504827 /nfs/dbraw/zinc/50/48/27/816504827.db2.gz AKJPEMJJQWYKJG-PWSUYJOCSA-N 2 2 257.353 0.344 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001030965216 816512878 /nfs/dbraw/zinc/51/28/78/816512878.db2.gz ZFGCHNMUCIZUEF-LBPRGKRZSA-N 2 2 283.416 0.554 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001030965216 816512883 /nfs/dbraw/zinc/51/28/83/816512883.db2.gz ZFGCHNMUCIZUEF-LBPRGKRZSA-N 2 2 283.416 0.554 20 0 CCADLP COc1ncc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(OC)n1 ZINC001205140956 816824396 /nfs/dbraw/zinc/82/43/96/816824396.db2.gz UVFAZUHKBAXWJP-VHSXEESVSA-N 2 2 266.345 0.520 20 0 CCADLP COc1ncc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(OC)n1 ZINC001205140956 816824402 /nfs/dbraw/zinc/82/44/02/816824402.db2.gz UVFAZUHKBAXWJP-VHSXEESVSA-N 2 2 266.345 0.520 20 0 CCADLP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1ccc(OCCO)cc1)C2 ZINC001235993880 816981843 /nfs/dbraw/zinc/98/18/43/816981843.db2.gz OVMBPRXFYREPAX-DZGCQCFKSA-N 2 2 262.353 0.981 20 0 CCADLP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1ccc(OCCO)cc1)C2 ZINC001235993880 816981850 /nfs/dbraw/zinc/98/18/50/816981850.db2.gz OVMBPRXFYREPAX-DZGCQCFKSA-N 2 2 262.353 0.981 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)NC2C[NH+](C[C@@H]3CC(C)(C)CO3)C2)C1 ZINC001031384734 817018314 /nfs/dbraw/zinc/01/83/14/817018314.db2.gz KODQWIHOMFCRFZ-JSGCOSHPSA-N 2 2 295.427 0.554 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)NC2C[NH+](C[C@@H]3CC(C)(C)CO3)C2)C1 ZINC001031384734 817018318 /nfs/dbraw/zinc/01/83/18/817018318.db2.gz KODQWIHOMFCRFZ-JSGCOSHPSA-N 2 2 295.427 0.554 20 0 CCADLP C[C@H]1CC[C@H](C[NH+]2CC(NC(=O)C[NH+]3CCCC3)C2)O1 ZINC001031389212 817022220 /nfs/dbraw/zinc/02/22/20/817022220.db2.gz HDZUSKDKYIVIMC-GXTWGEPZSA-N 2 2 281.400 0.450 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+]([C@@H](C)COC)C1 ZINC001031439887 817057103 /nfs/dbraw/zinc/05/71/03/817057103.db2.gz KTWZZYFWPNNTRD-JSGCOSHPSA-N 2 2 283.416 0.696 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+]([C@@H](C)COC)C1 ZINC001031439887 817057112 /nfs/dbraw/zinc/05/71/12/817057112.db2.gz KTWZZYFWPNNTRD-JSGCOSHPSA-N 2 2 283.416 0.696 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC1C[NH+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC001031477334 817074093 /nfs/dbraw/zinc/07/40/93/817074093.db2.gz ZYIMPIPSRNLZMM-SWLSCSKDSA-N 2 2 290.367 0.110 20 0 CCADLP CC(C)[NH+]1CC(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001031783055 817365506 /nfs/dbraw/zinc/36/55/06/817365506.db2.gz SUCACJBKVCZDHU-CYBMUJFWSA-N 2 2 276.384 0.902 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C[NH2+]CCF)[C@H](C)C1 ZINC001106922433 817446140 /nfs/dbraw/zinc/44/61/40/817446140.db2.gz CWXFWRNBZYYNPE-ZYHUDNBSSA-N 2 2 282.363 0.914 20 0 CCADLP CC(C)c1nnc(C[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)[nH]1 ZINC001124872856 817606863 /nfs/dbraw/zinc/60/68/63/817606863.db2.gz NSSNJCGMZADOFF-LLVKDONJSA-N 2 2 294.403 0.228 20 0 CCADLP CC(C)c1nnc(C[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)[nH]1 ZINC001124872856 817606870 /nfs/dbraw/zinc/60/68/70/817606870.db2.gz NSSNJCGMZADOFF-LLVKDONJSA-N 2 2 294.403 0.228 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C)c1csnn1 ZINC001124877158 817610199 /nfs/dbraw/zinc/61/01/99/817610199.db2.gz CZETVDIHKOBEGW-KOLCDFICSA-N 2 2 283.401 0.399 20 0 CCADLP CC(C)[C@](C)(C[NH3+])[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000447960587 817677252 /nfs/dbraw/zinc/67/72/52/817677252.db2.gz ALCQNHGNNOJCRL-HIFRSBDPSA-N 2 2 283.416 0.729 20 0 CCADLP CCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001107078931 817716640 /nfs/dbraw/zinc/71/66/40/817716640.db2.gz OXEJTGRUGQYCOO-CHWSQXEVSA-N 2 2 264.373 0.977 20 0 CCADLP CCC[NH2+]CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001127772397 817852399 /nfs/dbraw/zinc/85/23/99/817852399.db2.gz HLDDMLOFDVSQGH-CYBMUJFWSA-N 2 2 279.388 0.906 20 0 CCADLP CCC[NH2+]CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001127772397 817852404 /nfs/dbraw/zinc/85/24/04/817852404.db2.gz HLDDMLOFDVSQGH-CYBMUJFWSA-N 2 2 279.388 0.906 20 0 CCADLP CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001032814587 818035457 /nfs/dbraw/zinc/03/54/57/818035457.db2.gz FJWNZWJSVXOPKV-STQMWFEESA-N 2 2 262.357 0.968 20 0 CCADLP CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001032814587 818035464 /nfs/dbraw/zinc/03/54/64/818035464.db2.gz FJWNZWJSVXOPKV-STQMWFEESA-N 2 2 262.357 0.968 20 0 CCADLP CC[NH2+][C@@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001078761408 818050545 /nfs/dbraw/zinc/05/05/45/818050545.db2.gz LPPJZYCMSVHUBH-MNOVXSKESA-N 2 2 262.357 0.989 20 0 CCADLP c1cc(C[N@@H+]2CCC[NH2+]CC2)cc(-c2nn[nH]n2)c1 ZINC000095220644 818244287 /nfs/dbraw/zinc/24/42/87/818244287.db2.gz YGPXONISZGGJAU-UHFFFAOYSA-N 2 2 258.329 0.662 20 0 CCADLP c1cc(C[N@H+]2CCC[NH2+]CC2)cc(-c2nn[nH]n2)c1 ZINC000095220644 818244295 /nfs/dbraw/zinc/24/42/95/818244295.db2.gz YGPXONISZGGJAU-UHFFFAOYSA-N 2 2 258.329 0.662 20 0 CCADLP C[C@H](CC[NH2+]C[C@@H]1CCCOC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001273044859 818521594 /nfs/dbraw/zinc/52/15/94/818521594.db2.gz PHVWQRJODZNTBT-OLZOCXBDSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@@H](CC[NH2+]Cc1ccnn1C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001273045180 818523204 /nfs/dbraw/zinc/52/32/04/818523204.db2.gz QQLWDNDAZZEUSM-NSHDSACASA-N 2 2 290.371 0.370 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cnc3[nH]ccc3n2)CC1 ZINC001168736046 818541055 /nfs/dbraw/zinc/54/10/55/818541055.db2.gz AGFJUPWHRIRAGH-UHFFFAOYSA-N 2 2 259.317 0.552 20 0 CCADLP [NH3+]Cc1ncn(-c2ccc(Cn3cc[nH+]c3)cn2)n1 ZINC001168750854 818682245 /nfs/dbraw/zinc/68/22/45/818682245.db2.gz UWKMMEHPZJKLFH-UHFFFAOYSA-N 2 2 255.285 0.366 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@H+](CCF)C1 ZINC001033266379 818683566 /nfs/dbraw/zinc/68/35/66/818683566.db2.gz OQNMGDKMTVNWSE-GFCCVEGCSA-N 2 2 268.336 0.694 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H]1CC[N@@H+](CCF)C1 ZINC001033266379 818683570 /nfs/dbraw/zinc/68/35/70/818683570.db2.gz OQNMGDKMTVNWSE-GFCCVEGCSA-N 2 2 268.336 0.694 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033453985 818780143 /nfs/dbraw/zinc/78/01/43/818780143.db2.gz AFAGUWWWMNPBON-DGCLKSJQSA-N 2 2 280.372 0.520 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033453985 818780149 /nfs/dbraw/zinc/78/01/49/818780149.db2.gz AFAGUWWWMNPBON-DGCLKSJQSA-N 2 2 280.372 0.520 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(O)c(F)c2)C1 ZINC000702593081 819147436 /nfs/dbraw/zinc/14/74/36/819147436.db2.gz IAYXXDMLIQZRAG-ZDUSSCGKSA-N 2 2 254.305 0.688 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(O)c(F)c2)C1 ZINC000702593081 819147442 /nfs/dbraw/zinc/14/74/42/819147442.db2.gz IAYXXDMLIQZRAG-ZDUSSCGKSA-N 2 2 254.305 0.688 20 0 CCADLP CCCCOCC[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128992214 819306326 /nfs/dbraw/zinc/30/63/26/819306326.db2.gz UYXQUAFYUFRXBV-UHFFFAOYSA-N 2 2 282.388 0.865 20 0 CCADLP CCCCOCC[NH2+]CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001128992214 819306329 /nfs/dbraw/zinc/30/63/29/819306329.db2.gz UYXQUAFYUFRXBV-UHFFFAOYSA-N 2 2 282.388 0.865 20 0 CCADLP C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1[NH2+]CCO ZINC001036049420 819677312 /nfs/dbraw/zinc/67/73/12/819677312.db2.gz WJPKLMDIPVYWAQ-WCQYABFASA-N 2 2 280.372 0.161 20 0 CCADLP C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1[NH2+]CCO ZINC001036049420 819677321 /nfs/dbraw/zinc/67/73/21/819677321.db2.gz WJPKLMDIPVYWAQ-WCQYABFASA-N 2 2 280.372 0.161 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+]CCO)[C@H](C)C1 ZINC001036280186 819718994 /nfs/dbraw/zinc/71/89/94/819718994.db2.gz HLQDYARRZVJUQB-ZYHUDNBSSA-N 2 2 280.372 0.080 20 0 CCADLP CCCS(=O)(=O)CC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710672079 819863488 /nfs/dbraw/zinc/86/34/88/819863488.db2.gz NUGZBUBFRFCHNJ-UHFFFAOYSA-N 2 2 292.445 0.200 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001082860967 821048197 /nfs/dbraw/zinc/04/81/97/821048197.db2.gz ZWSLIOOGAPJUFC-IJLUTSLNSA-N 2 2 294.399 0.505 20 0 CCADLP [NH3+][C@@H](c1cn(CCn2cc[nH+]c2)nn1)[C@@H]1CCCO1 ZINC001119279719 821073315 /nfs/dbraw/zinc/07/33/15/821073315.db2.gz KMCZLIJDDYLAFG-RYUDHWBXSA-N 2 2 262.317 0.354 20 0 CCADLP CC[C@H](C)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084115330 821194288 /nfs/dbraw/zinc/19/42/88/821194288.db2.gz IEIPMVBPJSVRRO-XQQFMLRXSA-N 2 2 280.372 0.091 20 0 CCADLP CC[C@H](C)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084115330 821194291 /nfs/dbraw/zinc/19/42/91/821194291.db2.gz IEIPMVBPJSVRRO-XQQFMLRXSA-N 2 2 280.372 0.091 20 0 CCADLP CC1CC(C[N@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](O)C2)C1 ZINC001084115509 821195248 /nfs/dbraw/zinc/19/52/48/821195248.db2.gz VHAVVINEAPXNNI-PQAZSJQKSA-N 2 2 292.383 0.091 20 0 CCADLP CC1CC(C[N@@H+]2C[C@@H](NC(=O)Cn3cc[nH+]c3)[C@@H](O)C2)C1 ZINC001084115509 821195253 /nfs/dbraw/zinc/19/52/53/821195253.db2.gz VHAVVINEAPXNNI-PQAZSJQKSA-N 2 2 292.383 0.091 20 0 CCADLP COCCC[NH+]1CCC(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001230034747 821405894 /nfs/dbraw/zinc/40/58/94/821405894.db2.gz NJKXPPKWZQWJPX-UHFFFAOYSA-N 2 2 294.399 0.580 20 0 CCADLP CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001085682479 821897445 /nfs/dbraw/zinc/89/74/45/821897445.db2.gz VAEFCUHMRRYGTE-OCCSQVGLSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001085682479 821897454 /nfs/dbraw/zinc/89/74/54/821897454.db2.gz VAEFCUHMRRYGTE-OCCSQVGLSA-N 2 2 276.384 0.998 20 0 CCADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000186823192 822121168 /nfs/dbraw/zinc/12/11/68/822121168.db2.gz SVDKDXPRLWFLHA-CABCVRRESA-N 2 2 297.443 0.774 20 0 CCADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000186823192 822121173 /nfs/dbraw/zinc/12/11/73/822121173.db2.gz SVDKDXPRLWFLHA-CABCVRRESA-N 2 2 297.443 0.774 20 0 CCADLP CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001086124322 822121301 /nfs/dbraw/zinc/12/13/01/822121301.db2.gz NNJHOBCFECHOCV-UPJWGTAASA-N 2 2 276.384 0.950 20 0 CCADLP CCCC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001108245161 822133065 /nfs/dbraw/zinc/13/30/65/822133065.db2.gz RPIVURZYXHCJSR-OAHLLOKOSA-N 2 2 294.399 0.959 20 0 CCADLP CCCC[N@H+]1CCO[C@](C)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001108245161 822133070 /nfs/dbraw/zinc/13/30/70/822133070.db2.gz RPIVURZYXHCJSR-OAHLLOKOSA-N 2 2 294.399 0.959 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@@H](C2CC2)[NH+](C)C)[nH]1 ZINC001129444534 837507455 /nfs/dbraw/zinc/50/74/55/837507455.db2.gz UTCHLXDUEYBZSZ-JOYOIKCWSA-N 2 2 294.403 0.220 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C)c1ncccn1 ZINC001129443807 837513694 /nfs/dbraw/zinc/51/36/94/837513694.db2.gz NLIQEECYJHZQDY-YPMHNXCESA-N 2 2 291.399 0.584 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)C[N@@H+](C)C2CCC2)nc1 ZINC001129531965 837522591 /nfs/dbraw/zinc/52/25/91/837522591.db2.gz OBKRRICLPFGLNL-UHFFFAOYSA-N 2 2 291.399 0.475 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)C[N@H+](C)C2CCC2)nc1 ZINC001129531965 837522598 /nfs/dbraw/zinc/52/25/98/837522598.db2.gz OBKRRICLPFGLNL-UHFFFAOYSA-N 2 2 291.399 0.475 20 0 CCADLP Cn1ccnc1C[NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001130266385 837745486 /nfs/dbraw/zinc/74/54/86/837745486.db2.gz WPYSRIUAHDFTSY-UHFFFAOYSA-N 2 2 298.350 0.816 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)[C@@H]2CCCC[N@H+]2C)oc1C ZINC001130298228 837753139 /nfs/dbraw/zinc/75/31/39/837753139.db2.gz YYPSFDKBFXCZFZ-ZDUSSCGKSA-N 2 2 294.399 0.982 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)[C@@H]2CCCC[N@@H+]2C)oc1C ZINC001130298228 837753148 /nfs/dbraw/zinc/75/31/48/837753148.db2.gz YYPSFDKBFXCZFZ-ZDUSSCGKSA-N 2 2 294.399 0.982 20 0 CCADLP O=C(NCC[NH2+]CC1CCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130404746 837785883 /nfs/dbraw/zinc/78/58/83/837785883.db2.gz ODKPHHSBAUGNFW-CYBMUJFWSA-N 2 2 276.384 0.951 20 0 CCADLP CO[C@@H](C)C[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130477517 837800600 /nfs/dbraw/zinc/80/06/00/837800600.db2.gz FPPXWTHWRQZAKF-NWDGAFQWSA-N 2 2 280.372 0.186 20 0 CCADLP O=C(NCC[NH2+]CCC1CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001130487546 837810156 /nfs/dbraw/zinc/81/01/56/837810156.db2.gz HNAIDVWDILJRED-ZDUSSCGKSA-N 2 2 276.384 0.951 20 0 CCADLP O=C(NCC[NH2+]CCC1CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001130484164 837807902 /nfs/dbraw/zinc/80/79/02/837807902.db2.gz GNIXPCYRUWQGPU-ZDUSSCGKSA-N 2 2 276.384 0.951 20 0 CCADLP O=C(NCC[NH2+]CC1CCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001130487916 837811222 /nfs/dbraw/zinc/81/12/22/837811222.db2.gz KZURSRZSJOJCOH-ZDUSSCGKSA-N 2 2 276.384 0.951 20 0 CCADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[C@@H]([NH2+]CCCF)C1 ZINC001183730651 844080898 /nfs/dbraw/zinc/08/08/98/844080898.db2.gz HZFXHEYJHSTTBF-QWHCGFSZSA-N 2 2 294.374 0.996 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001183774020 844086920 /nfs/dbraw/zinc/08/69/20/844086920.db2.gz WPVKWPLMQOWDTL-QWHCGFSZSA-N 2 2 292.383 0.282 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cnc2ncccc2n1 ZINC001169067104 836122283 /nfs/dbraw/zinc/12/22/83/836122283.db2.gz OWAQYBKZFRGECA-SECBINFHSA-N 2 2 270.296 0.073 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncnc2ccoc21 ZINC001169067738 836123811 /nfs/dbraw/zinc/12/38/11/836123811.db2.gz WZKSFAAKRNMXAJ-MRVPVSSYSA-N 2 2 259.269 0.271 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cnc2cc(F)ccc2n1 ZINC001169067380 836124558 /nfs/dbraw/zinc/12/45/58/836124558.db2.gz RGYBOOVVVYWUSS-SNVBAGLBSA-N 2 2 287.298 0.817 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cccc2nsnc21 ZINC001169073845 836127028 /nfs/dbraw/zinc/12/70/28/836127028.db2.gz NAGHABMAQFIXGK-MRVPVSSYSA-N 2 2 275.337 0.739 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cnc2c(c1)C1(CC1)C(=O)N2 ZINC001169076038 836130770 /nfs/dbraw/zinc/13/07/70/836130770.db2.gz LCBKWDRAFVEIHI-SECBINFHSA-N 2 2 299.334 0.113 20 0 CCADLP COC(=O)[C@H]([NH3+])Cc1cn([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC001169122814 836139968 /nfs/dbraw/zinc/13/99/68/836139968.db2.gz FDAGZBVTZLZMPU-XJFOESAGSA-N 2 2 292.383 0.724 20 0 CCADLP COC(=O)[C@H]([NH3+])Cc1cn([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC001169122814 836139970 /nfs/dbraw/zinc/13/99/70/836139970.db2.gz FDAGZBVTZLZMPU-XJFOESAGSA-N 2 2 292.383 0.724 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Nc2[nH+]ccc3c2CCN3)C[NH2+]1 ZINC001169129071 836144046 /nfs/dbraw/zinc/14/40/46/836144046.db2.gz JRHYQOJJOKZYSZ-KCJUWKMLSA-N 2 2 262.313 0.365 20 0 CCADLP CC[NH+]1CCC([NH2+][C@]2(C)CCC(=O)NC2=O)CC1 ZINC001169233499 836166971 /nfs/dbraw/zinc/16/69/71/836166971.db2.gz ROHXHAGZTADZTI-CYBMUJFWSA-N 2 2 253.346 0.256 20 0 CCADLP Cc1cccnc1C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169205252 836168086 /nfs/dbraw/zinc/16/80/86/836168086.db2.gz WEERBOVDCGYXAF-UHFFFAOYSA-N 2 2 287.367 0.952 20 0 CCADLP CCOC(=O)N1CCC[C@H]([N@@H+]2CCO[C@@H](C[NH3+])C2)CC1 ZINC001169645718 836401345 /nfs/dbraw/zinc/40/13/45/836401345.db2.gz BTUVVPQXWLAHFX-STQMWFEESA-N 2 2 285.388 0.657 20 0 CCADLP CCOC(=O)N1CCC[C@H]([N@H+]2CCO[C@@H](C[NH3+])C2)CC1 ZINC001169645718 836401349 /nfs/dbraw/zinc/40/13/49/836401349.db2.gz BTUVVPQXWLAHFX-STQMWFEESA-N 2 2 285.388 0.657 20 0 CCADLP C[C@H]([NH3+])c1ccc(NC[C@H]2COCC[N@@H+]2C)cn1 ZINC001169660792 836414037 /nfs/dbraw/zinc/41/40/37/836414037.db2.gz QEWSDENTXBPHMV-JQWIXIFHSA-N 2 2 250.346 0.844 20 0 CCADLP C[C@H]([NH3+])c1ccc(NC[C@H]2COCC[N@H+]2C)cn1 ZINC001169660792 836414043 /nfs/dbraw/zinc/41/40/43/836414043.db2.gz QEWSDENTXBPHMV-JQWIXIFHSA-N 2 2 250.346 0.844 20 0 CCADLP CC[C@H](C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1)OC ZINC001184710268 844276516 /nfs/dbraw/zinc/27/65/16/844276516.db2.gz YNQWSDLILFUMSF-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)c2ccn3c[nH+]cc3c2)[nH]1 ZINC001130874969 837944777 /nfs/dbraw/zinc/94/47/77/837944777.db2.gz XHQIGQOWYCVOIX-UHFFFAOYSA-N 2 2 299.338 0.280 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1cc(C)n(C)n1 ZINC001131380519 838079035 /nfs/dbraw/zinc/07/90/35/838079035.db2.gz PDCKSKYHLPTHEI-UHFFFAOYSA-N 2 2 290.371 0.139 20 0 CCADLP C[C@@H](Nc1[nH+]cccc1N1CC[NH2+]CC1)[C@H]1C[NH2+]CCO1 ZINC001170563646 838113698 /nfs/dbraw/zinc/11/36/98/838113698.db2.gz NGPBZHFAVQNMIP-TZMCWYRMSA-N 3 2 291.399 0.280 20 0 CCADLP C[C@@H](F)CC[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131653892 838163235 /nfs/dbraw/zinc/16/32/35/838163235.db2.gz XJARCMVPRQXEEC-LLVKDONJSA-N 2 2 270.352 0.807 20 0 CCADLP Cc1oncc1C[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131641888 838164921 /nfs/dbraw/zinc/16/49/21/838164921.db2.gz VOAOYMLICVVUNV-UHFFFAOYSA-N 2 2 291.355 0.555 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]C/C=C\Cl ZINC001131656059 838171212 /nfs/dbraw/zinc/17/12/12/838171212.db2.gz JLXUPIQAMSEJHT-DJWKRKHSSA-N 2 2 270.764 0.811 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]CCOCC1CC1 ZINC001131656179 838171538 /nfs/dbraw/zinc/17/15/38/838171538.db2.gz KIOZPOZERCHRHD-UHFFFAOYSA-N 2 2 294.399 0.485 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]Cc1ccns1 ZINC001131655784 838171979 /nfs/dbraw/zinc/17/19/79/838171979.db2.gz BQISGSQSBCUOCW-UHFFFAOYSA-N 2 2 293.396 0.715 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC[NH2+]CC(C)C ZINC001131822923 838235247 /nfs/dbraw/zinc/23/52/47/838235247.db2.gz XYYPEZUNIIMZKE-AWEZNQCLSA-N 2 2 285.432 0.849 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC[NH2+]CC(C)C ZINC001131822923 838235261 /nfs/dbraw/zinc/23/52/61/838235261.db2.gz XYYPEZUNIIMZKE-AWEZNQCLSA-N 2 2 285.432 0.849 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)CCn2cc[nH+]c2)s1 ZINC001132079810 838313375 /nfs/dbraw/zinc/31/33/75/838313375.db2.gz NPXQYENYGXTNCK-UHFFFAOYSA-N 2 2 293.396 0.944 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]C/C=C\Cl ZINC001132082690 838315296 /nfs/dbraw/zinc/31/52/96/838315296.db2.gz UNYUOYLTODKVKS-IWQZZHSRSA-N 2 2 256.737 0.732 20 0 CCADLP CCOCC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001132537498 838430928 /nfs/dbraw/zinc/43/09/28/838430928.db2.gz PKYOJGVIGPVYSX-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP CCOCC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001132537498 838430931 /nfs/dbraw/zinc/43/09/31/838430931.db2.gz PKYOJGVIGPVYSX-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CCO ZINC001132781494 838494147 /nfs/dbraw/zinc/49/41/47/838494147.db2.gz CJLDITDYJGFAOU-QWHCGFSZSA-N 2 2 294.399 0.409 20 0 CCADLP C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C[NH2+]CCO ZINC001133022434 838535119 /nfs/dbraw/zinc/53/51/19/838535119.db2.gz ZOWSKOYVCZCERD-KGLIPLIRSA-N 2 2 294.399 0.340 20 0 CCADLP COCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C ZINC001133135622 838559922 /nfs/dbraw/zinc/55/99/22/838559922.db2.gz UYPUQIVDVLKIPS-OLZOCXBDSA-N 2 2 294.399 0.673 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C)o1 ZINC001133415768 838622510 /nfs/dbraw/zinc/62/25/10/838622510.db2.gz NMNYGRZYIJCFPA-GFCCVEGCSA-N 2 2 283.376 0.170 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)C[N@H+]2CCC[C@H]2C)s1 ZINC001133823822 838729058 /nfs/dbraw/zinc/72/90/58/838729058.db2.gz PTAWCQLWYYOWNB-SNVBAGLBSA-N 2 2 297.428 0.537 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)C[N@@H+]2CCC[C@H]2C)s1 ZINC001133823822 838729067 /nfs/dbraw/zinc/72/90/67/838729067.db2.gz PTAWCQLWYYOWNB-SNVBAGLBSA-N 2 2 297.428 0.537 20 0 CCADLP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]Cc1ncccn1 ZINC001133834269 838734623 /nfs/dbraw/zinc/73/46/23/838734623.db2.gz SOGMBLNMGQYUNY-GFCCVEGCSA-N 2 2 277.372 0.167 20 0 CCADLP Cc1ccnc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)n1 ZINC001133867428 838758916 /nfs/dbraw/zinc/75/89/16/838758916.db2.gz UNSKAMWCNCAJRB-AAEUAGOBSA-N 2 2 291.399 0.189 20 0 CCADLP Cc1ccnc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)n1 ZINC001133867428 838758924 /nfs/dbraw/zinc/75/89/24/838758924.db2.gz UNSKAMWCNCAJRB-AAEUAGOBSA-N 2 2 291.399 0.189 20 0 CCADLP C[C@H](CC(=O)NCC[NH2+]Cc1cnns1)n1cc[nH+]c1 ZINC001134499074 838995159 /nfs/dbraw/zinc/99/51/59/838995159.db2.gz VXGPKJYLYMTQAV-SNVBAGLBSA-N 2 2 294.384 0.592 20 0 CCADLP C[C@@H](CC(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C)n1cc[nH+]c1 ZINC001134517659 839000805 /nfs/dbraw/zinc/00/08/05/839000805.db2.gz NRMQSKDJJXQYBJ-RYUDHWBXSA-N 2 2 295.387 0.017 20 0 CCADLP C[C@@H](C[C@H](C)[NH2+]CCO)NC(=O)c1cccc2[nH+]ccn21 ZINC001134965536 839131065 /nfs/dbraw/zinc/13/10/65/839131065.db2.gz XXRZLVROUKFMNU-RYUDHWBXSA-N 2 2 290.367 0.813 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]C[C@@H]1CCCOC1 ZINC001135080094 839156590 /nfs/dbraw/zinc/15/65/90/839156590.db2.gz KVPWJJHIEJLMEI-OLZOCXBDSA-N 2 2 294.399 0.721 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]C[C@@H]1CCCOC1 ZINC001135080094 839156602 /nfs/dbraw/zinc/15/66/02/839156602.db2.gz KVPWJJHIEJLMEI-OLZOCXBDSA-N 2 2 294.399 0.721 20 0 CCADLP Cc1ncc(C[NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)s1 ZINC001135754606 839384759 /nfs/dbraw/zinc/38/47/59/839384759.db2.gz DYKJZSWFDOBWDR-UHFFFAOYSA-N 2 2 279.369 0.623 20 0 CCADLP CCCCOCC[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135765982 839390466 /nfs/dbraw/zinc/39/04/66/839390466.db2.gz DNNJLAZCYGCZEL-UHFFFAOYSA-N 2 2 268.361 0.475 20 0 CCADLP C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C[NH2+]CCO ZINC001279181789 839420288 /nfs/dbraw/zinc/42/02/88/839420288.db2.gz GPMYOFFTHNZSSR-STQMWFEESA-N 2 2 294.399 0.029 20 0 CCADLP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc[nH+]cc1F ZINC001170873438 839477441 /nfs/dbraw/zinc/47/74/41/839477441.db2.gz BCRAVFJCHIHKRJ-LDYMZIIASA-N 2 2 253.277 0.206 20 0 CCADLP F[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCCC2(C1)OCCO2 ZINC001246088771 839603174 /nfs/dbraw/zinc/60/31/74/839603174.db2.gz XJYCBUKWHOQFIC-QJPTWQEYSA-N 2 2 258.337 0.962 20 0 CCADLP C([NH2+][C@@H]1CCC[NH2+]C1)[C@@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001246165830 839657867 /nfs/dbraw/zinc/65/78/67/839657867.db2.gz CKLIQXAMYJNCSZ-KGLIPLIRSA-N 3 2 267.417 0.877 20 0 CCADLP CCCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090727141 839756752 /nfs/dbraw/zinc/75/67/52/839756752.db2.gz HULAMDVVEHTXQY-KGLIPLIRSA-N 2 2 294.399 0.314 20 0 CCADLP CCCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090727141 839756758 /nfs/dbraw/zinc/75/67/58/839756758.db2.gz HULAMDVVEHTXQY-KGLIPLIRSA-N 2 2 294.399 0.314 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@@H](N[C@H]2C[NH2+]CCC2(C)C)C[NH2+]1 ZINC001246333441 839799668 /nfs/dbraw/zinc/79/96/68/839799668.db2.gz VDTCTDLJQNKBNU-TYNCELHUSA-N 2 2 283.416 0.648 20 0 CCADLP CC(C)OCCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001185924471 844476367 /nfs/dbraw/zinc/47/63/67/844476367.db2.gz BBEMMJPOVXPDSU-CYBMUJFWSA-N 2 2 294.399 0.958 20 0 CCADLP CCOC(=O)[C@@H]1C[C@@H]([N@@H+]2CC[C@](C)([NH3+])C2)CCN1 ZINC001246529772 839894824 /nfs/dbraw/zinc/89/48/24/839894824.db2.gz LTPGZHQNRQMRCG-GVXVVHGQSA-N 2 2 255.362 0.093 20 0 CCADLP CCOC(=O)[C@@H]1C[C@@H]([N@H+]2CC[C@](C)([NH3+])C2)CCN1 ZINC001246529772 839894833 /nfs/dbraw/zinc/89/48/33/839894833.db2.gz LTPGZHQNRQMRCG-GVXVVHGQSA-N 2 2 255.362 0.093 20 0 CCADLP CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C1 ZINC001160476782 839910558 /nfs/dbraw/zinc/91/05/58/839910558.db2.gz NUISCASSJFERAY-SRVKXCTJSA-N 2 2 297.399 0.113 20 0 CCADLP COC(=O)[C@@H]1CCC[C@H]([N@@H+]2C[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246558877 840013165 /nfs/dbraw/zinc/01/31/65/840013165.db2.gz RNRIRWUWEQULNU-WRWGMCAJSA-N 2 2 256.346 0.112 20 0 CCADLP COC(=O)[C@@H]1CCC[C@H]([N@H+]2C[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246558877 840013168 /nfs/dbraw/zinc/01/31/68/840013168.db2.gz RNRIRWUWEQULNU-WRWGMCAJSA-N 2 2 256.346 0.112 20 0 CCADLP O=C(NCC1CC([NH2+]CCF)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001091105814 840051720 /nfs/dbraw/zinc/05/17/20/840051720.db2.gz VDGFYOKKSUXFSA-CPCZMJQVSA-N 2 2 294.374 0.899 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COCCOC ZINC000233477529 840335783 /nfs/dbraw/zinc/33/57/83/840335783.db2.gz PNDJPYQRHCGZIK-CHWSQXEVSA-N 2 2 260.378 0.084 20 0 CCADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COCCOC ZINC000233477529 840335794 /nfs/dbraw/zinc/33/57/94/840335794.db2.gz PNDJPYQRHCGZIK-CHWSQXEVSA-N 2 2 260.378 0.084 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)CC[N@@H+](C)CC)o1 ZINC001146718817 840352523 /nfs/dbraw/zinc/35/25/23/840352523.db2.gz GCCKTDUYENJQAA-UHFFFAOYSA-N 2 2 282.388 0.785 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)CC[N@H+](C)CC)o1 ZINC001146718817 840352532 /nfs/dbraw/zinc/35/25/32/840352532.db2.gz GCCKTDUYENJQAA-UHFFFAOYSA-N 2 2 282.388 0.785 20 0 CCADLP CC[N@H+](C)CCC(=O)NCC[NH2+]Cc1ncccn1 ZINC001146719916 840354982 /nfs/dbraw/zinc/35/49/82/840354982.db2.gz WHJURYPZHNSZNO-UHFFFAOYSA-N 2 2 265.361 0.024 20 0 CCADLP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1ncccn1 ZINC001146719916 840354990 /nfs/dbraw/zinc/35/49/90/840354990.db2.gz WHJURYPZHNSZNO-UHFFFAOYSA-N 2 2 265.361 0.024 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001147878196 840714463 /nfs/dbraw/zinc/71/44/63/840714463.db2.gz USTFCDUAFMXCCT-CYBMUJFWSA-N 2 2 294.399 0.484 20 0 CCADLP CCOCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186601022 844579529 /nfs/dbraw/zinc/57/95/29/844579529.db2.gz JOWRZLFNOJJEGM-LLVKDONJSA-N 2 2 266.345 0.179 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1ncccn1 ZINC001148638502 840873667 /nfs/dbraw/zinc/87/36/67/840873667.db2.gz JBTHLBABQBJALV-UHFFFAOYSA-N 2 2 265.361 0.024 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1ncccn1 ZINC001148638502 840873673 /nfs/dbraw/zinc/87/36/73/840873673.db2.gz JBTHLBABQBJALV-UHFFFAOYSA-N 2 2 265.361 0.024 20 0 CCADLP CCN(C(=O)C[C@@H]([NH3+])COC(C)(C)C)C1C[NH+](C)C1 ZINC001161136910 840877764 /nfs/dbraw/zinc/87/77/64/840877764.db2.gz ABFGPIGACLRNDA-LLVKDONJSA-N 2 2 271.405 0.681 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001092138061 840996991 /nfs/dbraw/zinc/99/69/91/840996991.db2.gz SYJUNXPJVCYGBE-JMSVASOKSA-N 2 2 292.383 0.113 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001092138061 840996997 /nfs/dbraw/zinc/99/69/97/840996997.db2.gz SYJUNXPJVCYGBE-JMSVASOKSA-N 2 2 292.383 0.113 20 0 CCADLP CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000714247640 841190140 /nfs/dbraw/zinc/19/01/40/841190140.db2.gz ONLGIUHEGWPLRV-CCKSWGLSSA-N 2 2 270.398 0.148 20 0 CCADLP C[C@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)[C@@H]1CCC[NH2+]1 ZINC000714337903 841194528 /nfs/dbraw/zinc/19/45/28/841194528.db2.gz KJZAMMMARZOOEH-SRVKXCTJSA-N 2 2 260.403 0.684 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CC(=O)N(CC2CC2)C1)C1CC1 ZINC000716803740 841683060 /nfs/dbraw/zinc/68/30/60/841683060.db2.gz HFXSPRIWEBEQSD-TZMCWYRMSA-N 2 2 281.400 0.042 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CC(=O)N(CC2CC2)C1)C1CC1 ZINC000716803740 841683063 /nfs/dbraw/zinc/68/30/63/841683063.db2.gz HFXSPRIWEBEQSD-TZMCWYRMSA-N 2 2 281.400 0.042 20 0 CCADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCO[C@H](C(N)=O)C1)C2 ZINC001172128095 841835598 /nfs/dbraw/zinc/83/55/98/841835598.db2.gz ONNNCBQDOMOKDH-RNJOBUHISA-N 2 2 267.373 0.188 20 0 CCADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCO[C@H](C(N)=O)C1)C2 ZINC001172128095 841835609 /nfs/dbraw/zinc/83/56/09/841835609.db2.gz ONNNCBQDOMOKDH-RNJOBUHISA-N 2 2 267.373 0.188 20 0 CCADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCO[C@H](C(N)=O)C1)C2 ZINC001172128095 841835618 /nfs/dbraw/zinc/83/56/18/841835618.db2.gz ONNNCBQDOMOKDH-RNJOBUHISA-N 2 2 267.373 0.188 20 0 CCADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCO[C@H](C(N)=O)C1)C2 ZINC001172128095 841835626 /nfs/dbraw/zinc/83/56/26/841835626.db2.gz ONNNCBQDOMOKDH-RNJOBUHISA-N 2 2 267.373 0.188 20 0 CCADLP COCCC[NH+]1CCC([N@@H+]2C[C@H](F)C[C@H]2CO)CC1 ZINC001172251967 841912167 /nfs/dbraw/zinc/91/21/67/841912167.db2.gz DVVVDKGSQYGJQA-OCCSQVGLSA-N 2 2 274.380 0.892 20 0 CCADLP COCCC[NH+]1CCC([N@H+]2C[C@H](F)C[C@H]2CO)CC1 ZINC001172251967 841912179 /nfs/dbraw/zinc/91/21/79/841912179.db2.gz DVVVDKGSQYGJQA-OCCSQVGLSA-N 2 2 274.380 0.892 20 0 CCADLP [NH3+][C@@H]1COC[C@H]1[NH2+]C1Cc2cc(F)c(F)cc2C1 ZINC001173473955 842083055 /nfs/dbraw/zinc/08/30/55/842083055.db2.gz NBTWBTFDRRSSOO-CHWSQXEVSA-N 2 2 254.280 0.748 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]CCn1cccn1 ZINC001174691470 842200648 /nfs/dbraw/zinc/20/06/48/842200648.db2.gz MNXDNLNUOKXLAV-UHFFFAOYSA-N 2 2 290.371 0.253 20 0 CCADLP Cc1nc([C@@H](C)[NH2+]CCCNC(=O)[C@@H]2CC[N@H+](C)C2)no1 ZINC001176057030 842315699 /nfs/dbraw/zinc/31/56/99/842315699.db2.gz MFWMFAICHZEQPY-ZYHUDNBSSA-N 2 2 295.387 0.487 20 0 CCADLP Cc1nc([C@@H](C)[NH2+]CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)no1 ZINC001176057030 842315713 /nfs/dbraw/zinc/31/57/13/842315713.db2.gz MFWMFAICHZEQPY-ZYHUDNBSSA-N 2 2 295.387 0.487 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001176836774 842422591 /nfs/dbraw/zinc/42/25/91/842422591.db2.gz VYTCYZQCRYFAPA-MQMHXKEQSA-N 2 2 292.383 0.712 20 0 CCADLP Cc1nc(C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)c(C)o1 ZINC001177404505 842577164 /nfs/dbraw/zinc/57/71/64/842577164.db2.gz BMYCJHFOYPYGKH-UHFFFAOYSA-N 2 2 291.355 0.784 20 0 CCADLP CC1(C)CO[C@@H](C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)C1 ZINC001177404718 842579023 /nfs/dbraw/zinc/57/90/23/842579023.db2.gz GGBIUHDHNBOKBC-CYBMUJFWSA-N 2 2 294.399 0.794 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NCc2c[nH+]c3n2CCC3)C1 ZINC001177740603 842664543 /nfs/dbraw/zinc/66/45/43/842664543.db2.gz VGVPGQMMSGUFCV-NSHDSACASA-N 2 2 262.357 0.787 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)NCc2c[nH+]c3n2CCC3)C1 ZINC001177740603 842664548 /nfs/dbraw/zinc/66/45/48/842664548.db2.gz VGVPGQMMSGUFCV-NSHDSACASA-N 2 2 262.357 0.787 20 0 CCADLP Cc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)nn1 ZINC001177753823 842667227 /nfs/dbraw/zinc/66/72/27/842667227.db2.gz RSFIRGXYWKGDLS-ZDUSSCGKSA-N 2 2 291.399 0.462 20 0 CCADLP Cc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)nn1 ZINC001177753823 842667233 /nfs/dbraw/zinc/66/72/33/842667233.db2.gz RSFIRGXYWKGDLS-ZDUSSCGKSA-N 2 2 291.399 0.462 20 0 CCADLP C[NH+](C)C[C@H]1COCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001177995120 842734669 /nfs/dbraw/zinc/73/46/69/842734669.db2.gz QXGIGMOQEMVYOH-NSHDSACASA-N 2 2 266.345 0.131 20 0 CCADLP CC[NH+](CC)CCN1CC[NH+](Cc2ccnn2C)CC1 ZINC001206315541 842739379 /nfs/dbraw/zinc/73/93/79/842739379.db2.gz DJCNBNZQPNAIMS-UHFFFAOYSA-N 2 2 279.432 0.880 20 0 CCADLP C[NH+](C)C1(C)CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001178105659 842758531 /nfs/dbraw/zinc/75/85/31/842758531.db2.gz ZXQWSXQORZTWJS-LLVKDONJSA-N 2 2 262.357 0.608 20 0 CCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[N@@H+]2CC[C@H]2C1 ZINC001178115677 842760590 /nfs/dbraw/zinc/76/05/90/842760590.db2.gz GLCXASZTLNCCJA-RYUDHWBXSA-N 2 2 260.341 0.362 20 0 CCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[N@H+]2CC[C@H]2C1 ZINC001178115677 842760598 /nfs/dbraw/zinc/76/05/98/842760598.db2.gz GLCXASZTLNCCJA-RYUDHWBXSA-N 2 2 260.341 0.362 20 0 CCADLP N=C(NC(=O)[C@@H]1CCc2[nH+]ccn2C1)SCC[NH3+] ZINC001178119925 842762539 /nfs/dbraw/zinc/76/25/39/842762539.db2.gz ZWQPVGGPPSDSNR-MRVPVSSYSA-N 2 2 267.358 0.188 20 0 CCADLP CC[C@H](C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C)OC ZINC001179617852 843028751 /nfs/dbraw/zinc/02/87/51/843028751.db2.gz UHVGGQCOWAYXHT-YUTCNCBUSA-N 2 2 294.399 0.956 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@H]1C ZINC001179688983 843033933 /nfs/dbraw/zinc/03/39/33/843033933.db2.gz QUAYRCGLIAVZOS-DYEKYZERSA-N 2 2 294.399 0.814 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001179688983 843033940 /nfs/dbraw/zinc/03/39/40/843033940.db2.gz QUAYRCGLIAVZOS-DYEKYZERSA-N 2 2 294.399 0.814 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC001179783142 843043447 /nfs/dbraw/zinc/04/34/47/843043447.db2.gz DODDBLBTRZDRGK-QWRGUYRKSA-N 2 2 266.345 0.178 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCCCCC[NH2+]CCCO ZINC001180158322 843114047 /nfs/dbraw/zinc/11/40/47/843114047.db2.gz IWOTWKFGJYBIJU-UHFFFAOYSA-N 2 2 296.415 0.909 20 0 CCADLP COCC[NH2+]C[C@]1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001182741302 843910481 /nfs/dbraw/zinc/91/04/81/843910481.db2.gz MDDAWILGNKIYIO-IUODEOHRSA-N 2 2 294.399 0.673 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001187420648 844723023 /nfs/dbraw/zinc/72/30/23/844723023.db2.gz PULDMOMFLOZKAJ-ZYHUDNBSSA-N 2 2 280.372 0.486 20 0 CCADLP CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001196827220 846806580 /nfs/dbraw/zinc/80/65/80/846806580.db2.gz WIVBMBVAWZXJPP-IACUBPJLSA-N 2 2 294.399 0.550 20 0 CCADLP CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001196827220 846806585 /nfs/dbraw/zinc/80/65/85/846806585.db2.gz WIVBMBVAWZXJPP-IACUBPJLSA-N 2 2 294.399 0.550 20 0 CCADLP CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001196827220 846806592 /nfs/dbraw/zinc/80/65/92/846806592.db2.gz WIVBMBVAWZXJPP-IACUBPJLSA-N 2 2 294.399 0.550 20 0 CCADLP CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001196827220 846806600 /nfs/dbraw/zinc/80/66/00/846806600.db2.gz WIVBMBVAWZXJPP-IACUBPJLSA-N 2 2 294.399 0.550 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@@H]([NH2+]CCO)C12CCC2 ZINC001203242027 846865085 /nfs/dbraw/zinc/86/50/85/846865085.db2.gz VITHZYKCRRTBMF-CHWSQXEVSA-N 2 2 292.383 0.283 20 0 CCADLP CCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001199406653 847324659 /nfs/dbraw/zinc/32/46/59/847324659.db2.gz VOMDFYSQGHRUBN-CHWSQXEVSA-N 2 2 280.372 0.235 20 0 CCADLP CC[N@@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001201581501 847793363 /nfs/dbraw/zinc/79/33/63/847793363.db2.gz YZTVMIGHMCPYQP-UHFFFAOYSA-N 2 2 250.346 0.531 20 0 CCADLP CC[N@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001201581501 847793367 /nfs/dbraw/zinc/79/33/67/847793367.db2.gz YZTVMIGHMCPYQP-UHFFFAOYSA-N 2 2 250.346 0.531 20 0 CCADLP C[C@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)n1cc[nH+]c1 ZINC000082992300 847847613 /nfs/dbraw/zinc/84/76/13/847847613.db2.gz CMGPWGFXFMATFS-CYBMUJFWSA-N 2 2 292.383 0.767 20 0 CCADLP COCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]c[nH+]c1C ZINC001115170029 847908468 /nfs/dbraw/zinc/90/84/68/847908468.db2.gz KHPCOLKAYOSMNV-JYAVWHMHSA-N 2 2 292.383 0.344 20 0 CCADLP COCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]c[nH+]c1C ZINC001115170029 847908477 /nfs/dbraw/zinc/90/84/77/847908477.db2.gz KHPCOLKAYOSMNV-JYAVWHMHSA-N 2 2 292.383 0.344 20 0 CCADLP COc1nscc1C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153496175 848011926 /nfs/dbraw/zinc/01/19/26/848011926.db2.gz URGLCIYNCLODOK-UHFFFAOYSA-N 2 2 295.368 0.254 20 0 CCADLP c1cnn(Cc2c[nH+]c3n2CC[N@@H+](Cc2cc[nH]n2)CC3)c1 ZINC001137127694 848133589 /nfs/dbraw/zinc/13/35/89/848133589.db2.gz JONVXRMFLPFJNI-UHFFFAOYSA-N 2 2 297.366 0.909 20 0 CCADLP c1cnn(Cc2c[nH+]c3n2CC[N@H+](Cc2cc[nH]n2)CC3)c1 ZINC001137127694 848133598 /nfs/dbraw/zinc/13/35/98/848133598.db2.gz JONVXRMFLPFJNI-UHFFFAOYSA-N 2 2 297.366 0.909 20 0 CCADLP CC[C@H](C)[C@H]([NH2+]C[C@@H](O)C[NH+](CC)CC)C(=O)N(C)C ZINC001253213578 848161406 /nfs/dbraw/zinc/16/14/06/848161406.db2.gz LIRGRVZXAJGRSE-MJBXVCDLSA-N 2 2 287.448 0.782 20 0 CCADLP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]Cc2cnon2)CC[N@@H+]1C ZINC001274037420 848313868 /nfs/dbraw/zinc/31/38/68/848313868.db2.gz QQQPJNJQJNTUAM-NAGRZINJSA-N 2 2 293.371 0.172 20 0 CCADLP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]Cc2cnon2)CC[N@H+]1C ZINC001274037420 848313872 /nfs/dbraw/zinc/31/38/72/848313872.db2.gz QQQPJNJQJNTUAM-NAGRZINJSA-N 2 2 293.371 0.172 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001274054273 848329148 /nfs/dbraw/zinc/32/91/48/848329148.db2.gz YJYNDDKSUSLYDI-IUODEOHRSA-N 2 2 292.383 0.225 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001274054273 848329151 /nfs/dbraw/zinc/32/91/51/848329151.db2.gz YJYNDDKSUSLYDI-IUODEOHRSA-N 2 2 292.383 0.225 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC/C=C\C[NH2+]C[C@@H]1CCOC1 ZINC001274511338 848492980 /nfs/dbraw/zinc/49/29/80/848492980.db2.gz PJDBTLTXJKKVQQ-ZRMMWKCHSA-N 2 2 292.383 0.261 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)NC)CC1 ZINC001274657470 848533438 /nfs/dbraw/zinc/53/34/38/848533438.db2.gz XUSYYAPYJFIRFE-ZIAGYGMSSA-N 2 2 297.443 0.537 20 0 CCADLP COCC[NH+]1CC2(CCN2C(=O)[C@@H]2CC3CC[NH+]2CC3)C1 ZINC001274978326 848609395 /nfs/dbraw/zinc/60/93/95/848609395.db2.gz GINMMUUZIVMAIO-AWEZNQCLSA-N 2 2 293.411 0.404 20 0 CCADLP CCc1[nH]c(CN2C[C@@H]3C[N@@H+](C)C[C@H](C2)O3)c(C)[nH+]1 ZINC001275231370 848673568 /nfs/dbraw/zinc/67/35/68/848673568.db2.gz ZEAJDZAEWZVGBP-TXEJJXNPSA-N 2 2 264.373 0.795 20 0 CCADLP CCc1[nH]c(CN2C[C@@H]3C[N@H+](C)C[C@H](C2)O3)c(C)[nH+]1 ZINC001275231370 848673572 /nfs/dbraw/zinc/67/35/72/848673572.db2.gz ZEAJDZAEWZVGBP-TXEJJXNPSA-N 2 2 264.373 0.795 20 0 CCADLP COCCOC[NH+]1CC2(C1)CC[NH+](Cc1ncc[nH]1)CC2 ZINC001275846979 848844053 /nfs/dbraw/zinc/84/40/53/848844053.db2.gz JCMJVCWHNVHVOE-UHFFFAOYSA-N 2 2 294.399 0.928 20 0 CCADLP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nccnc1N ZINC001275895432 848858241 /nfs/dbraw/zinc/85/82/41/848858241.db2.gz SKDCLESXDOVZFH-BETUJISGSA-N 2 2 290.415 0.269 20 0 CCADLP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nccnc1N ZINC001275895432 848858245 /nfs/dbraw/zinc/85/82/45/848858245.db2.gz SKDCLESXDOVZFH-BETUJISGSA-N 2 2 290.415 0.269 20 0 CCADLP C[C@@H]1C[C@H]1C[N@@H+]1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001276034175 848899244 /nfs/dbraw/zinc/89/92/44/848899244.db2.gz XWIDYGQXSQXGQK-UGUYLWEFSA-N 2 2 290.411 0.924 20 0 CCADLP C[C@@H]1C[C@H]1C[N@H+]1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001276034175 848899253 /nfs/dbraw/zinc/89/92/53/848899253.db2.gz XWIDYGQXSQXGQK-UGUYLWEFSA-N 2 2 290.411 0.924 20 0 CCADLP CN(C)C(=O)C[NH+]1CC2(C1)CC[NH+](Cc1cnco1)CC2 ZINC001276158413 848942362 /nfs/dbraw/zinc/94/23/62/848942362.db2.gz TVXREKARTAEGDO-UHFFFAOYSA-N 2 2 292.383 0.661 20 0 CCADLP OCC[C@@H]1CSCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000687717463 849137903 /nfs/dbraw/zinc/13/79/03/849137903.db2.gz HVOOXVINCFMDBR-OLZOCXBDSA-N 2 2 274.430 0.243 20 0 CCADLP OCC[C@@H]1CSCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000687717463 849137909 /nfs/dbraw/zinc/13/79/09/849137909.db2.gz HVOOXVINCFMDBR-OLZOCXBDSA-N 2 2 274.430 0.243 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1COC2(CCC2)C1)C1CC1 ZINC000688271882 849165401 /nfs/dbraw/zinc/16/54/01/849165401.db2.gz KHLXMQAIYCAWKP-WCQYABFASA-N 2 2 254.374 0.743 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1COC2(CCC2)C1)C1CC1 ZINC000688271882 849165406 /nfs/dbraw/zinc/16/54/06/849165406.db2.gz KHLXMQAIYCAWKP-WCQYABFASA-N 2 2 254.374 0.743 20 0 CCADLP CO[C@@H]1CCC[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000718297526 849247932 /nfs/dbraw/zinc/24/79/32/849247932.db2.gz GWCNIALQCTZYMD-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1[NH2+]CCO ZINC001037908415 849604455 /nfs/dbraw/zinc/60/44/55/849604455.db2.gz NLOADDONCUOFHW-KGLIPLIRSA-N 2 2 294.399 0.482 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001038347442 849861011 /nfs/dbraw/zinc/86/10/11/849861011.db2.gz WGVOMZNGCPTKQR-VXGBXAGGSA-N 2 2 262.357 0.971 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001038347442 849861015 /nfs/dbraw/zinc/86/10/15/849861015.db2.gz WGVOMZNGCPTKQR-VXGBXAGGSA-N 2 2 262.357 0.971 20 0 CCADLP O=C(NC[C@H]1CC[N@H+]1CCCO)[C@H]1CCn2c[nH+]cc2C1 ZINC001038409989 849884685 /nfs/dbraw/zinc/88/46/85/849884685.db2.gz BVSLTRWVRJSHFR-QWHCGFSZSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(NC[C@H]1CC[N@@H+]1CCCO)[C@H]1CCn2c[nH+]cc2C1 ZINC001038409989 849884691 /nfs/dbraw/zinc/88/46/91/849884691.db2.gz BVSLTRWVRJSHFR-QWHCGFSZSA-N 2 2 292.383 0.018 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042546041 850691715 /nfs/dbraw/zinc/69/17/15/850691715.db2.gz PEONKKAXHFFCOU-WCQYABFASA-N 2 2 269.389 0.258 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001042546041 850691721 /nfs/dbraw/zinc/69/17/21/850691721.db2.gz PEONKKAXHFFCOU-WCQYABFASA-N 2 2 269.389 0.258 20 0 CCADLP CO[C@H](C)C[NH+]1CC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001043872874 850948504 /nfs/dbraw/zinc/94/85/04/850948504.db2.gz AEDFHYYMSCGOOH-QWHCGFSZSA-N 2 2 283.416 0.506 20 0 CCADLP CO[C@H](C)C[NH+]1CC(N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001043869559 850953572 /nfs/dbraw/zinc/95/35/72/850953572.db2.gz LNAOYNAYUKANQK-QWHCGFSZSA-N 2 2 283.416 0.648 20 0 CCADLP CO[C@H](C)C[NH+]1CC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001043869559 850953579 /nfs/dbraw/zinc/95/35/79/850953579.db2.gz LNAOYNAYUKANQK-QWHCGFSZSA-N 2 2 283.416 0.648 20 0 CCADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1C[NH+](CC2CCC2)C1 ZINC001043975794 850975427 /nfs/dbraw/zinc/97/54/27/850975427.db2.gz GNBMQJATTKXMQA-UHFFFAOYSA-N 2 2 262.357 0.895 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)C2C[NH+](CC3CCC3)C2)C1 ZINC001044320883 851074571 /nfs/dbraw/zinc/07/45/71/851074571.db2.gz QGMNUWFICHSZNS-HNNXBMFYSA-N 2 2 295.427 0.650 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N(C)C2C[NH+](CC3CCC3)C2)C1 ZINC001044320883 851074581 /nfs/dbraw/zinc/07/45/81/851074581.db2.gz QGMNUWFICHSZNS-HNNXBMFYSA-N 2 2 295.427 0.650 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]1C[NH2+]CC1CC1 ZINC001045276327 851228537 /nfs/dbraw/zinc/22/85/37/851228537.db2.gz VMPWIBVDQYPKCR-ZDUSSCGKSA-N 2 2 276.384 0.953 20 0 CCADLP CCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001045397482 851251144 /nfs/dbraw/zinc/25/11/44/851251144.db2.gz DCZKLSBRPWCRIR-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001045397482 851251152 /nfs/dbraw/zinc/25/11/52/851251152.db2.gz DCZKLSBRPWCRIR-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP CC(C)=CC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001046217509 851427293 /nfs/dbraw/zinc/42/72/93/851427293.db2.gz HINBRQFIISROKZ-ZBFHGGJFSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)=CC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001046217509 851427301 /nfs/dbraw/zinc/42/73/01/851427301.db2.gz HINBRQFIISROKZ-ZBFHGGJFSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)=CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046217509 851427306 /nfs/dbraw/zinc/42/73/06/851427306.db2.gz HINBRQFIISROKZ-ZBFHGGJFSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)=CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046217509 851427311 /nfs/dbraw/zinc/42/73/11/851427311.db2.gz HINBRQFIISROKZ-ZBFHGGJFSA-N 2 2 295.427 0.864 20 0 CCADLP C[C@@H](CNC(=O)C1C[NH+]([C@H]2CCOC2)C1)Cn1cc[nH+]c1 ZINC000900789130 851513813 /nfs/dbraw/zinc/51/38/13/851513813.db2.gz ZFUGECGJGLVBPN-JSGCOSHPSA-N 2 2 292.383 0.356 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCO)C2 ZINC001047189842 851679814 /nfs/dbraw/zinc/67/98/14/851679814.db2.gz FEBYYTMBSVLGPH-AVGNSLFASA-N 2 2 292.383 0.222 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2 ZINC001047189842 851679817 /nfs/dbraw/zinc/67/98/17/851679817.db2.gz FEBYYTMBSVLGPH-AVGNSLFASA-N 2 2 292.383 0.222 20 0 CCADLP CC[C@H](C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001047545362 851811515 /nfs/dbraw/zinc/81/15/15/851811515.db2.gz RWQHNYVOBQNNDF-UBHSHLNASA-N 2 2 294.399 0.502 20 0 CCADLP CC[C@H](C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001047545362 851811519 /nfs/dbraw/zinc/81/15/19/851811519.db2.gz RWQHNYVOBQNNDF-UBHSHLNASA-N 2 2 294.399 0.502 20 0 CCADLP CC[C@@H](C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047646841 851844862 /nfs/dbraw/zinc/84/48/62/851844862.db2.gz MIWYCQMJYQGYFC-RDBSUJKOSA-N 2 2 294.399 0.433 20 0 CCADLP CC[C@@H](C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047646841 851844865 /nfs/dbraw/zinc/84/48/65/851844865.db2.gz MIWYCQMJYQGYFC-RDBSUJKOSA-N 2 2 294.399 0.433 20 0 CCADLP Cc1nc(N2CC[C@H](NC(=O)CC[NH+](C)C)C2)cc[nH+]1 ZINC001096472691 852167740 /nfs/dbraw/zinc/16/77/40/852167740.db2.gz CRZASXXKGSMHQI-LBPRGKRZSA-N 2 2 277.372 0.432 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CCF)C1 ZINC001049391140 852255294 /nfs/dbraw/zinc/25/52/94/852255294.db2.gz HTRRTHCKQUPYJP-IHRRRGAJSA-N 2 2 299.390 0.352 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CCF)C1 ZINC001049391140 852255305 /nfs/dbraw/zinc/25/53/05/852255305.db2.gz HTRRTHCKQUPYJP-IHRRRGAJSA-N 2 2 299.390 0.352 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CCF)C1 ZINC001049391140 852255310 /nfs/dbraw/zinc/25/53/10/852255310.db2.gz HTRRTHCKQUPYJP-IHRRRGAJSA-N 2 2 299.390 0.352 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CCF)C1 ZINC001049391140 852255320 /nfs/dbraw/zinc/25/53/20/852255320.db2.gz HTRRTHCKQUPYJP-IHRRRGAJSA-N 2 2 299.390 0.352 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CCF)C1 ZINC001049391143 852257624 /nfs/dbraw/zinc/25/76/24/852257624.db2.gz HTRRTHCKQUPYJP-RDBSUJKOSA-N 2 2 299.390 0.352 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CCF)C1 ZINC001049391143 852257634 /nfs/dbraw/zinc/25/76/34/852257634.db2.gz HTRRTHCKQUPYJP-RDBSUJKOSA-N 2 2 299.390 0.352 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CCF)C1 ZINC001049391143 852257646 /nfs/dbraw/zinc/25/76/46/852257646.db2.gz HTRRTHCKQUPYJP-RDBSUJKOSA-N 2 2 299.390 0.352 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CCF)C1 ZINC001049391143 852257659 /nfs/dbraw/zinc/25/76/59/852257659.db2.gz HTRRTHCKQUPYJP-RDBSUJKOSA-N 2 2 299.390 0.352 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCO ZINC001049847741 852386305 /nfs/dbraw/zinc/38/63/05/852386305.db2.gz GEMFBTUZOLAOSP-KBPBESRZSA-N 2 2 292.383 0.020 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCO ZINC001049847741 852386316 /nfs/dbraw/zinc/38/63/16/852386316.db2.gz GEMFBTUZOLAOSP-KBPBESRZSA-N 2 2 292.383 0.020 20 0 CCADLP CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCO)CC1 ZINC001052985308 852680054 /nfs/dbraw/zinc/68/00/54/852680054.db2.gz HBPHIRXRTPVEAL-GASCZTMLSA-N 2 2 281.400 0.138 20 0 CCADLP CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCO)CC1 ZINC001052985308 852680057 /nfs/dbraw/zinc/68/00/57/852680057.db2.gz HBPHIRXRTPVEAL-GASCZTMLSA-N 2 2 281.400 0.138 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCC[N@@H+]1C)CCO2 ZINC001053181988 852704051 /nfs/dbraw/zinc/70/40/51/852704051.db2.gz CDEVVBAZAQUGEK-CYBMUJFWSA-N 2 2 281.400 0.404 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CCC[N@H+]1C)CCO2 ZINC001053181988 852704058 /nfs/dbraw/zinc/70/40/58/852704058.db2.gz CDEVVBAZAQUGEK-CYBMUJFWSA-N 2 2 281.400 0.404 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N2CCOC3(C[NH+](CC)C3)C2)CC[N@@H+]1C ZINC001053266709 852720338 /nfs/dbraw/zinc/72/03/38/852720338.db2.gz YIAJEHDZPNJQLP-UONOGXRCSA-N 2 2 295.427 0.650 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N2CCOC3(C[NH+](CC)C3)C2)CC[N@H+]1C ZINC001053266709 852720345 /nfs/dbraw/zinc/72/03/45/852720345.db2.gz YIAJEHDZPNJQLP-UONOGXRCSA-N 2 2 295.427 0.650 20 0 CCADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)CO2 ZINC001053964285 852859101 /nfs/dbraw/zinc/85/91/01/852859101.db2.gz DSDJFBMJXGWPMI-CQSZACIVSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001050151777 853325104 /nfs/dbraw/zinc/32/51/04/853325104.db2.gz SXAPMTVGJDMVCV-MBNYWOFBSA-N 2 2 292.383 0.256 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001050151777 853325109 /nfs/dbraw/zinc/32/51/09/853325109.db2.gz SXAPMTVGJDMVCV-MBNYWOFBSA-N 2 2 292.383 0.256 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC001050214581 853337614 /nfs/dbraw/zinc/33/76/14/853337614.db2.gz QNZDVQLOGDRGAD-QWHCGFSZSA-N 2 2 280.347 0.775 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001050214581 853337621 /nfs/dbraw/zinc/33/76/21/853337621.db2.gz QNZDVQLOGDRGAD-QWHCGFSZSA-N 2 2 280.347 0.775 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1COCC[NH+]1CC1CC1 ZINC001050849374 853461077 /nfs/dbraw/zinc/46/10/77/853461077.db2.gz WFXWNDPDNOCMBE-ZIAGYGMSSA-N 2 2 281.400 0.308 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1COCC[NH+]1CC1CC1 ZINC001050849374 853461081 /nfs/dbraw/zinc/46/10/81/853461081.db2.gz WFXWNDPDNOCMBE-ZIAGYGMSSA-N 2 2 281.400 0.308 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1COCC[N@@H+]1CC1CC1 ZINC001050849374 853461084 /nfs/dbraw/zinc/46/10/84/853461084.db2.gz WFXWNDPDNOCMBE-ZIAGYGMSSA-N 2 2 281.400 0.308 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1COCC[N@H+]1CC1CC1 ZINC001050849374 853461087 /nfs/dbraw/zinc/46/10/87/853461087.db2.gz WFXWNDPDNOCMBE-ZIAGYGMSSA-N 2 2 281.400 0.308 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001051188965 853543562 /nfs/dbraw/zinc/54/35/62/853543562.db2.gz HRWWDVAGVWXSKB-OAHLLOKOSA-N 2 2 297.443 0.944 20 0 CCADLP CC[N@H+]1CCOC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001051188965 853543566 /nfs/dbraw/zinc/54/35/66/853543566.db2.gz HRWWDVAGVWXSKB-OAHLLOKOSA-N 2 2 297.443 0.944 20 0 CCADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)N[C@H]1CCC[N@H+](C)C1 ZINC001255475829 854065997 /nfs/dbraw/zinc/06/59/97/854065997.db2.gz WFUSILAAVPVNMZ-WCQYABFASA-N 2 2 280.372 0.188 20 0 CCADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)N[C@H]1CCC[N@@H+](C)C1 ZINC001255475829 854066002 /nfs/dbraw/zinc/06/60/02/854066002.db2.gz WFUSILAAVPVNMZ-WCQYABFASA-N 2 2 280.372 0.188 20 0 CCADLP CC[C@@H](C(=O)N1CC[NH+]([C@@H](C)COC)CC1)[NH+](C)C ZINC000151660628 854087021 /nfs/dbraw/zinc/08/70/21/854087021.db2.gz CJWWGXWZVPILHQ-STQMWFEESA-N 2 2 271.405 0.506 20 0 CCADLP CCN(C)C(=O)[C@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000392970258 854098311 /nfs/dbraw/zinc/09/83/11/854098311.db2.gz UUCICAWZACHLCH-MCDVFOBDSA-N 2 2 251.374 0.439 20 0 CCADLP COCC[N@@H+]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C ZINC001072029245 854338556 /nfs/dbraw/zinc/33/85/56/854338556.db2.gz GMZMPPWPTPXXID-WCQYABFASA-N 2 2 294.399 0.876 20 0 CCADLP COCC[N@H+]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C ZINC001072029245 854338565 /nfs/dbraw/zinc/33/85/65/854338565.db2.gz GMZMPPWPTPXXID-WCQYABFASA-N 2 2 294.399 0.876 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC2(C1)CC[N@@H+](CCF)C2 ZINC001073018455 854514780 /nfs/dbraw/zinc/51/47/80/854514780.db2.gz BIWKZQOVZJEOGR-UHFFFAOYSA-N 2 2 266.320 0.456 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC2(C1)CC[N@H+](CCF)C2 ZINC001073018455 854514789 /nfs/dbraw/zinc/51/47/89/854514789.db2.gz BIWKZQOVZJEOGR-UHFFFAOYSA-N 2 2 266.320 0.456 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC2(C1)CC[N@H+](CCF)C2 ZINC001073430397 854558741 /nfs/dbraw/zinc/55/87/41/854558741.db2.gz FJRLUAZWOUJAOP-UHFFFAOYSA-N 2 2 280.347 0.695 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC2(C1)CC[N@@H+](CCF)C2 ZINC001073430397 854558746 /nfs/dbraw/zinc/55/87/46/854558746.db2.gz FJRLUAZWOUJAOP-UHFFFAOYSA-N 2 2 280.347 0.695 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CC2CCC2)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001074581824 854752836 /nfs/dbraw/zinc/75/28/36/854752836.db2.gz RTCYTFASOAWOIQ-AEGPPILISA-N 2 2 295.427 0.696 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CC2CCC2)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001074581824 854752838 /nfs/dbraw/zinc/75/28/38/854752838.db2.gz RTCYTFASOAWOIQ-AEGPPILISA-N 2 2 295.427 0.696 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001074718491 854769720 /nfs/dbraw/zinc/76/97/20/854769720.db2.gz UMRNMRFESJQHDZ-XQQFMLRXSA-N 2 2 292.383 0.017 20 0 CCADLP CC[NH+](CC)CC[C@@H](C)[NH2+]C1CN(S(C)(=O)=O)C1 ZINC001255946162 854945411 /nfs/dbraw/zinc/94/54/11/854945411.db2.gz RGNGJOCWODLVPB-LLVKDONJSA-N 2 2 277.434 0.340 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001100094003 855096486 /nfs/dbraw/zinc/09/64/86/855096486.db2.gz FWDCVRLWOHZGJA-KGLIPLIRSA-N 2 2 294.399 0.313 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001100094003 855096497 /nfs/dbraw/zinc/09/64/97/855096497.db2.gz FWDCVRLWOHZGJA-KGLIPLIRSA-N 2 2 294.399 0.313 20 0 CCADLP CC[C@H](C[NH2+]C1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1)OC ZINC001100710554 855212846 /nfs/dbraw/zinc/21/28/46/855212846.db2.gz XBYVMUIHWSOMKI-ORHYLEIMSA-N 2 2 294.399 0.862 20 0 CCADLP COC[C@H](C)[NH2+]C1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001100791614 855225211 /nfs/dbraw/zinc/22/52/11/855225211.db2.gz NHHQUUZWNKPMSN-UNXYVOJBSA-N 2 2 280.372 0.472 20 0 CCADLP C[NH+]1CCC([N@@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)CC1 ZINC001256207641 855225918 /nfs/dbraw/zinc/22/59/18/855225918.db2.gz QHZZQYLJOPZRAR-OAHLLOKOSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+]1CCC([N@H+]2CCCC[C@@H]2C(=O)N2CCOCC2)CC1 ZINC001256207641 855225927 /nfs/dbraw/zinc/22/59/27/855225927.db2.gz QHZZQYLJOPZRAR-OAHLLOKOSA-N 2 2 295.427 0.794 20 0 CCADLP Cc1nc(NCCN(C)C(=O)C[NH+]2CCCC2)cc[nH+]1 ZINC001101633446 855328129 /nfs/dbraw/zinc/32/81/29/855328129.db2.gz RPKXJFNOEQCCCC-UHFFFAOYSA-N 2 2 277.372 0.751 20 0 CCADLP Cc1nc(NCCN(C)C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)cc[nH+]1 ZINC001101971582 855401383 /nfs/dbraw/zinc/40/13/83/855401383.db2.gz XYLVVALTEGLWAB-YPMHNXCESA-N 2 2 291.399 0.853 20 0 CCADLP Cc1nc(NCCN(C)C(=O)[C@H]2C[N@H+](C)C[C@H]2C)cc[nH+]1 ZINC001101971582 855401391 /nfs/dbraw/zinc/40/13/91/855401391.db2.gz XYLVVALTEGLWAB-YPMHNXCESA-N 2 2 291.399 0.853 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102031131 855409634 /nfs/dbraw/zinc/40/96/34/855409634.db2.gz TWLNVRMXQXXMBS-FRRDWIJNSA-N 2 2 294.399 0.407 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102031131 855409639 /nfs/dbraw/zinc/40/96/39/855409639.db2.gz TWLNVRMXQXXMBS-FRRDWIJNSA-N 2 2 294.399 0.407 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102031131 855409645 /nfs/dbraw/zinc/40/96/45/855409645.db2.gz TWLNVRMXQXXMBS-FRRDWIJNSA-N 2 2 294.399 0.407 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102031131 855409649 /nfs/dbraw/zinc/40/96/49/855409649.db2.gz TWLNVRMXQXXMBS-FRRDWIJNSA-N 2 2 294.399 0.407 20 0 CCADLP C[C@@H]1C[N@H+](CCO)C[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001102540340 855444621 /nfs/dbraw/zinc/44/46/21/855444621.db2.gz KDVBQYPNQXMNTL-CHWSQXEVSA-N 2 2 294.399 0.029 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001102540340 855444624 /nfs/dbraw/zinc/44/46/24/855444624.db2.gz KDVBQYPNQXMNTL-CHWSQXEVSA-N 2 2 294.399 0.029 20 0 CCADLP COC1(OC)CCOC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000698394890 855623948 /nfs/dbraw/zinc/62/39/48/855623948.db2.gz HKXQGRDZBFOJEC-GFCCVEGCSA-N 2 2 269.345 0.641 20 0 CCADLP Cc1nc(N[C@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001115739755 855693852 /nfs/dbraw/zinc/69/38/52/855693852.db2.gz LYNIEXGBMDMKNF-DGCLKSJQSA-N 2 2 291.399 0.996 20 0 CCADLP Cc1nc(N[C@H](C)CN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001115739755 855693855 /nfs/dbraw/zinc/69/38/55/855693855.db2.gz LYNIEXGBMDMKNF-DGCLKSJQSA-N 2 2 291.399 0.996 20 0 CCADLP CCS(=O)(=O)CC[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC001118090242 856156483 /nfs/dbraw/zinc/15/64/83/856156483.db2.gz GHXZBERQPGEHHY-JTQLQIEISA-N 2 2 257.359 0.222 20 0 CCADLP CC[NH2+]Cc1noc(COC2CC[NH+](C)CC2)n1 ZINC001120268934 857025580 /nfs/dbraw/zinc/02/55/80/857025580.db2.gz KGHUQHUOTXKCAU-UHFFFAOYSA-N 2 2 254.334 0.790 20 0 CCADLP CC(C)C[N@H+](C)CCC[NH2+]C[C@@H](C)S(C)(=O)=O ZINC001120503805 857096699 /nfs/dbraw/zinc/09/66/99/857096699.db2.gz ZBTBFGHWUCLJMI-GFCCVEGCSA-N 2 2 264.435 0.987 20 0 CCADLP CC(C)C[N@@H+](C)CCC[NH2+]C[C@@H](C)S(C)(=O)=O ZINC001120503805 857096701 /nfs/dbraw/zinc/09/67/01/857096701.db2.gz ZBTBFGHWUCLJMI-GFCCVEGCSA-N 2 2 264.435 0.987 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001393054454 912360528 /nfs/dbraw/zinc/36/05/28/912360528.db2.gz LOGHHLPPRMZCQU-VXGBXAGGSA-N 2 2 280.372 0.568 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC1(C)CC[NH+](C[C@H](C)O)CC1 ZINC001393071450 912373489 /nfs/dbraw/zinc/37/34/89/912373489.db2.gz WHRJJLUBYOKODL-NSHDSACASA-N 2 2 294.399 0.612 20 0 CCADLP COCC[NH+]1CCC(C)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001393082323 912374787 /nfs/dbraw/zinc/37/47/87/912374787.db2.gz RIRPNJNUJRHEQX-UHFFFAOYSA-N 2 2 280.372 0.500 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@H]1COCC[NH+]1CCC1CC1 ZINC001393519215 912618028 /nfs/dbraw/zinc/61/80/28/912618028.db2.gz LYIQMPAZDHFUHF-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@H]1COCC[NH+]1CCC1CC1 ZINC001393519215 912618041 /nfs/dbraw/zinc/61/80/41/912618041.db2.gz LYIQMPAZDHFUHF-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[NH+](C)CC(=O)NC[C@H]1COCC[N@@H+]1CCC1CC1 ZINC001393519215 912618056 /nfs/dbraw/zinc/61/80/56/912618056.db2.gz LYIQMPAZDHFUHF-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[NH+](C)CC(=O)NC[C@H]1COCC[N@H+]1CCC1CC1 ZINC001393519215 912618071 /nfs/dbraw/zinc/61/80/71/912618071.db2.gz LYIQMPAZDHFUHF-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1COCC[N@H+]1CC(C)C ZINC001393516853 912619894 /nfs/dbraw/zinc/61/98/94/912619894.db2.gz ZVGFTOXXXIAMEJ-CQSZACIVSA-N 2 2 294.399 0.665 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1COCC[N@@H+]1CC(C)C ZINC001393516853 912619907 /nfs/dbraw/zinc/61/99/07/912619907.db2.gz ZVGFTOXXXIAMEJ-CQSZACIVSA-N 2 2 294.399 0.665 20 0 CCADLP CC1CC(CNC(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC001336935332 921114861 /nfs/dbraw/zinc/11/48/61/921114861.db2.gz RYOSVBUQZROYKC-UHFFFAOYSA-N 2 2 268.405 0.755 20 0 CCADLP C[C@@H](CN(C)C(=O)c1cccc2[nH+]ccn21)[NH2+]CCO ZINC001394516581 913235573 /nfs/dbraw/zinc/23/55/73/913235573.db2.gz SCIXKTBFBOQOBJ-NSHDSACASA-N 2 2 276.340 0.377 20 0 CCADLP CC[C@@H](F)C[N@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001480934584 891883032 /nfs/dbraw/zinc/88/30/32/891883032.db2.gz AQVNJNWOVLZZNP-LLVKDONJSA-N 2 2 270.352 0.759 20 0 CCADLP CC[C@@H](F)C[N@@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001480934584 891883046 /nfs/dbraw/zinc/88/30/46/891883046.db2.gz AQVNJNWOVLZZNP-LLVKDONJSA-N 2 2 270.352 0.759 20 0 CCADLP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1csnn1 ZINC001419831516 892100167 /nfs/dbraw/zinc/10/01/67/892100167.db2.gz GOICIEYTEASEOY-SNVBAGLBSA-N 2 2 297.428 0.474 20 0 CCADLP O=C(CC[NH+]1CCOCC1)NC[C@@H]1CCC[N@H+]1CCF ZINC001481062414 892123530 /nfs/dbraw/zinc/12/35/30/892123530.db2.gz BYAXVXWLCDBTAN-ZDUSSCGKSA-N 2 2 287.379 0.259 20 0 CCADLP O=C(CC[NH+]1CCOCC1)NC[C@@H]1CCC[N@@H+]1CCF ZINC001481062414 892123534 /nfs/dbraw/zinc/12/35/34/892123534.db2.gz BYAXVXWLCDBTAN-ZDUSSCGKSA-N 2 2 287.379 0.259 20 0 CCADLP C[C@H](C[NH2+]C[C@@H](O)C1(O)CCC1)Cn1cc[nH+]c1 ZINC001353278517 892337875 /nfs/dbraw/zinc/33/78/75/892337875.db2.gz SHHXTTQGKSQJRM-VXGBXAGGSA-N 2 2 253.346 0.385 20 0 CCADLP CC[C@@H](F)C[NH2+]CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001481285080 892522919 /nfs/dbraw/zinc/52/29/19/892522919.db2.gz RLRVMPHZXHXIIT-SNVBAGLBSA-N 2 2 256.325 0.748 20 0 CCADLP COCCC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC001284017496 892558605 /nfs/dbraw/zinc/55/86/05/892558605.db2.gz OYHUENMXWASYJO-STQMWFEESA-N 2 2 294.399 0.578 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001481597057 892882078 /nfs/dbraw/zinc/88/20/78/892882078.db2.gz NGMIMHUDHSSAEP-YPMHNXCESA-N 2 2 271.405 0.408 20 0 CCADLP CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001481826753 893190753 /nfs/dbraw/zinc/19/07/53/893190753.db2.gz UTYWSHVPUUYXLF-NWDGAFQWSA-N 2 2 264.373 0.950 20 0 CCADLP Cc1cc(C)c(C(=O)NC[C@H](C)C[NH2+]CCO)c(C)[nH+]1 ZINC001482124543 893413245 /nfs/dbraw/zinc/41/32/45/893413245.db2.gz QHJAXVXLVFVWOM-SNVBAGLBSA-N 2 2 279.384 0.955 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH+](C)[C@@H](CO)C2)C1 ZINC001363511222 893762102 /nfs/dbraw/zinc/76/21/02/893762102.db2.gz RIZLXXYYKMLHOZ-ZIAGYGMSSA-N 2 2 283.416 0.242 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H](C(=O)N2CC[NH+](C)[C@@H](CO)C2)C1 ZINC001363511222 893762113 /nfs/dbraw/zinc/76/21/13/893762113.db2.gz RIZLXXYYKMLHOZ-ZIAGYGMSSA-N 2 2 283.416 0.242 20 0 CCADLP CC(C)[NH+]1CCC[C@@H](C(=O)N2CC[N@H+](C)[C@@H](CO)C2)C1 ZINC001363511222 893762125 /nfs/dbraw/zinc/76/21/25/893762125.db2.gz RIZLXXYYKMLHOZ-ZIAGYGMSSA-N 2 2 283.416 0.242 20 0 CCADLP CC(C)[NH+]1CCC[C@@H](C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)C1 ZINC001363511222 893762133 /nfs/dbraw/zinc/76/21/33/893762133.db2.gz RIZLXXYYKMLHOZ-ZIAGYGMSSA-N 2 2 283.416 0.242 20 0 CCADLP C[C@@H](CC[NH2+]C[C@H]1CCOC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001482882966 894667301 /nfs/dbraw/zinc/66/73/01/894667301.db2.gz ASIVMQYISUQTDU-NWDGAFQWSA-N 2 2 280.372 0.473 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)C1C[NH+](CCF)C1 ZINC001506637802 894878349 /nfs/dbraw/zinc/87/83/49/894878349.db2.gz AAQMQJXEUYSSIQ-LLVKDONJSA-N 2 2 268.336 0.598 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC/C=C/C[NH2+]Cc1ccccn1 ZINC001483100530 894900329 /nfs/dbraw/zinc/90/03/29/894900329.db2.gz IMDJUTMUGJGMPP-ONEGZZNKSA-N 2 2 285.351 0.740 20 0 CCADLP CC(C)[C@@H](CCN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]CCO ZINC001409768290 895366643 /nfs/dbraw/zinc/36/66/43/895366643.db2.gz QEWXKUSWIBPTPL-CYBMUJFWSA-N 2 2 282.388 0.407 20 0 CCADLP CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)c1nnc(C)o1)[NH+](C)C ZINC001483240777 895370255 /nfs/dbraw/zinc/37/02/55/895370255.db2.gz UHMZERSAWQQSLW-HOSYDEDBSA-N 2 2 297.403 0.874 20 0 CCADLP O[C@@H](C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)C1(O)CCOCC1 ZINC000929804737 895965282 /nfs/dbraw/zinc/96/52/82/895965282.db2.gz XZJZALGWJHJIFA-ZDUSSCGKSA-N 2 2 295.383 0.492 20 0 CCADLP COCCC[NH2+]C[C@@]1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001484121060 896203715 /nfs/dbraw/zinc/20/37/15/896203715.db2.gz YYSLEXTYRFUEGX-OAHLLOKOSA-N 2 2 294.399 0.817 20 0 CCADLP CCC[N@@H+]1CC[C@](O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001484254014 896275014 /nfs/dbraw/zinc/27/50/14/896275014.db2.gz DGLSBMNRDFGXMQ-HNNXBMFYSA-N 2 2 294.399 0.626 20 0 CCADLP CCC[N@H+]1CC[C@](O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001484254014 896275029 /nfs/dbraw/zinc/27/50/29/896275029.db2.gz DGLSBMNRDFGXMQ-HNNXBMFYSA-N 2 2 294.399 0.626 20 0 CCADLP CC(C)=CC[NH+]1CC(O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001484293885 896322114 /nfs/dbraw/zinc/32/21/14/896322114.db2.gz SFOQZYDUUZESJX-UHFFFAOYSA-N 2 2 295.427 0.457 20 0 CCADLP COCC[NH2+][C@@H](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001485001515 896703831 /nfs/dbraw/zinc/70/38/31/896703831.db2.gz SBWJVASGIVUCHK-NSHDSACASA-N 2 2 268.361 0.093 20 0 CCADLP CO[C@H](C)C[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001485072824 896756016 /nfs/dbraw/zinc/75/60/16/896756016.db2.gz IXPBULDUHXZHOF-OLZOCXBDSA-N 2 2 294.399 0.910 20 0 CCADLP CO[C@H](C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001485072824 896756027 /nfs/dbraw/zinc/75/60/27/896756027.db2.gz IXPBULDUHXZHOF-OLZOCXBDSA-N 2 2 294.399 0.910 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001494055377 897187073 /nfs/dbraw/zinc/18/70/73/897187073.db2.gz GNQHLLHGTXXORG-VXGBXAGGSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001494055377 897187080 /nfs/dbraw/zinc/18/70/80/897187080.db2.gz GNQHLLHGTXXORG-VXGBXAGGSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@H](CCC[NH2+]C[C@@H]1CCOC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001485740741 897210502 /nfs/dbraw/zinc/21/05/02/897210502.db2.gz SMJYCUGIYDFANH-OLZOCXBDSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@@H](CCC[NH2+]C[C@@H]1CCOC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001485740743 897211607 /nfs/dbraw/zinc/21/16/07/897211607.db2.gz SMJYCUGIYDFANH-STQMWFEESA-N 2 2 294.399 0.863 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001494086226 897253150 /nfs/dbraw/zinc/25/31/50/897253150.db2.gz QHNAJEAPWDGHMR-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001494086226 897253160 /nfs/dbraw/zinc/25/31/60/897253160.db2.gz QHNAJEAPWDGHMR-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP CO[C@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1[nH]cc[nH+]1 ZINC001032379516 897369140 /nfs/dbraw/zinc/36/91/40/897369140.db2.gz UJNWGCHVXMVPMR-AGIUHOORSA-N 2 2 292.383 0.662 20 0 CCADLP CO[C@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1[nH]cc[nH+]1 ZINC001032379516 897369155 /nfs/dbraw/zinc/36/91/55/897369155.db2.gz UJNWGCHVXMVPMR-AGIUHOORSA-N 2 2 292.383 0.662 20 0 CCADLP CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1 ZINC001032550326 897736365 /nfs/dbraw/zinc/73/63/65/897736365.db2.gz MCMAWNGJHPORPY-STQMWFEESA-N 2 2 262.357 0.968 20 0 CCADLP CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1 ZINC001032550326 897736373 /nfs/dbraw/zinc/73/63/73/897736373.db2.gz MCMAWNGJHPORPY-STQMWFEESA-N 2 2 262.357 0.968 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1O ZINC001078270880 898320350 /nfs/dbraw/zinc/32/03/50/898320350.db2.gz VSOCDEYFGIFQNO-ZIAGYGMSSA-N 2 2 292.383 0.235 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1O ZINC001078270880 898320360 /nfs/dbraw/zinc/32/03/60/898320360.db2.gz VSOCDEYFGIFQNO-ZIAGYGMSSA-N 2 2 292.383 0.235 20 0 CCADLP COCC[NH+]1CCC([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001486440221 898879029 /nfs/dbraw/zinc/87/90/29/898879029.db2.gz FRGWNAMUEUDYPV-GFCCVEGCSA-N 2 2 294.399 0.815 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1C[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001397671301 914319981 /nfs/dbraw/zinc/31/99/81/914319981.db2.gz KRKFPZHALLQRGH-AVGNSLFASA-N 2 2 292.383 0.473 20 0 CCADLP CC[C@@H](C(=O)NCC[N@H+](C)Cc1cc(C)no1)[NH+](C)C ZINC001399576652 915245682 /nfs/dbraw/zinc/24/56/82/915245682.db2.gz QVFOSVDYCXNDSV-ZDUSSCGKSA-N 2 2 282.388 0.871 20 0 CCADLP CC[C@@H](C(=O)NCC[N@@H+](C)Cc1cc(C)no1)[NH+](C)C ZINC001399576652 915245700 /nfs/dbraw/zinc/24/57/00/915245700.db2.gz QVFOSVDYCXNDSV-ZDUSSCGKSA-N 2 2 282.388 0.871 20 0 CCADLP CCCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001327048565 914337585 /nfs/dbraw/zinc/33/75/85/914337585.db2.gz LIOXXNLTLYCXLL-CQSZACIVSA-N 2 2 294.399 0.580 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001410419239 899397988 /nfs/dbraw/zinc/39/79/88/899397988.db2.gz IWGOJVWRIPVEHJ-QWHCGFSZSA-N 2 2 282.388 0.745 20 0 CCADLP Cc1cc(C)c(C(=O)NC[C@@H](CO)[NH2+]C[C@H](C)O)c(C)[nH+]1 ZINC001410694227 899538222 /nfs/dbraw/zinc/53/82/22/899538222.db2.gz DZSMEJAWTLQKCS-AAEUAGOBSA-N 2 2 295.383 0.068 20 0 CCADLP C[NH2+]CCC[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC001327090267 914366846 /nfs/dbraw/zinc/36/68/46/914366846.db2.gz SBQNLTNPKGTAPF-UHFFFAOYSA-N 3 2 278.404 0.170 20 0 CCADLP CC[C@@H](C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1)OC ZINC001134397524 899834853 /nfs/dbraw/zinc/83/48/53/899834853.db2.gz PUUOPRMTQUQWJB-NSHDSACASA-N 2 2 254.334 0.083 20 0 CCADLP CC(C)[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001490743329 900716532 /nfs/dbraw/zinc/71/65/32/900716532.db2.gz AEVBZQVGHMVUPA-LBPRGKRZSA-N 2 2 250.346 0.776 20 0 CCADLP C[NH+]1CCC(CCO)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001412768816 902105241 /nfs/dbraw/zinc/10/52/41/902105241.db2.gz DNRMKXKESQADBD-VXGBXAGGSA-N 2 2 292.383 0.476 20 0 CCADLP C[NH+]1CCC(CCO)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001412768816 902105248 /nfs/dbraw/zinc/10/52/48/902105248.db2.gz DNRMKXKESQADBD-VXGBXAGGSA-N 2 2 292.383 0.476 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCCO ZINC001049749109 903048429 /nfs/dbraw/zinc/04/84/29/903048429.db2.gz AFWRKGYIXTWXLR-KBPBESRZSA-N 2 2 292.383 0.400 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCO ZINC001049749109 903048448 /nfs/dbraw/zinc/04/84/48/903048448.db2.gz AFWRKGYIXTWXLR-KBPBESRZSA-N 2 2 292.383 0.400 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001491069339 903329773 /nfs/dbraw/zinc/32/97/73/903329773.db2.gz IXUUCBKOSLXFQG-UTUOFQBUSA-N 2 2 280.372 0.234 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NC[C@@H](C)[NH2+]C[C@H](C)O ZINC001491495746 903624421 /nfs/dbraw/zinc/62/44/21/903624421.db2.gz QQSAMEVQFUQDAS-MNOVXSKESA-N 2 2 281.356 0.108 20 0 CCADLP Cc1nn(C)cc1C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235994429 903974331 /nfs/dbraw/zinc/97/43/31/903974331.db2.gz WGMVSGSNLFHLFJ-FUNVUKJBSA-N 2 2 250.346 0.134 20 0 CCADLP Cc1nn(C)cc1C[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235994429 903974340 /nfs/dbraw/zinc/97/43/40/903974340.db2.gz WGMVSGSNLFHLFJ-FUNVUKJBSA-N 2 2 250.346 0.134 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@@H+]2C3CCC2(CO)CC3)n1 ZINC001331966257 904037022 /nfs/dbraw/zinc/03/70/22/904037022.db2.gz SCLJJIRXPZDEPN-UHFFFAOYSA-N 2 2 266.345 0.753 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@H+]2C3CCC2(CO)CC3)n1 ZINC001331966257 904037034 /nfs/dbraw/zinc/03/70/34/904037034.db2.gz SCLJJIRXPZDEPN-UHFFFAOYSA-N 2 2 266.345 0.753 20 0 CCADLP COCCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001281408461 904278816 /nfs/dbraw/zinc/27/88/16/904278816.db2.gz QTVBRFSEFSXEBF-GXTWGEPZSA-N 2 2 294.399 0.815 20 0 CCADLP COCCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001281408461 904278825 /nfs/dbraw/zinc/27/88/25/904278825.db2.gz QTVBRFSEFSXEBF-GXTWGEPZSA-N 2 2 294.399 0.815 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NC1CC(C[NH2+]CCF)C1 ZINC001282030280 904394799 /nfs/dbraw/zinc/39/47/99/904394799.db2.gz JQUSAQHFXSCKCS-UHFFFAOYSA-N 2 2 282.363 0.807 20 0 CCADLP C[C@H](CC(=O)NC1CC(C[NH2+]CCO)C1)n1cc[nH+]c1 ZINC001282066347 904402646 /nfs/dbraw/zinc/40/26/46/904402646.db2.gz ZEIIOMCDYZQXJK-PNESKVBLSA-N 2 2 280.372 0.311 20 0 CCADLP Cc1ncoc1C[N@H+](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001377260395 904731331 /nfs/dbraw/zinc/73/13/31/904731331.db2.gz IHLFYKSMEUZQMA-UHFFFAOYSA-N 2 2 291.355 0.736 20 0 CCADLP Cc1ncoc1C[N@@H+](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001377260395 904731344 /nfs/dbraw/zinc/73/13/44/904731344.db2.gz IHLFYKSMEUZQMA-UHFFFAOYSA-N 2 2 291.355 0.736 20 0 CCADLP CC[C@@H](C[N@@H+]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1)OC ZINC001377463242 904913633 /nfs/dbraw/zinc/91/36/33/904913633.db2.gz NSEOUGQOZKWADB-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP CC[C@@H](C[N@H+]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1)OC ZINC001377463242 904913651 /nfs/dbraw/zinc/91/36/51/904913651.db2.gz NSEOUGQOZKWADB-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@H+](Cc2ccon2)C1 ZINC001377469187 904916365 /nfs/dbraw/zinc/91/63/65/904916365.db2.gz BXRWDJHXMARPBF-ZDUSSCGKSA-N 2 2 292.383 0.709 20 0 CCADLP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@@H+](Cc2ccon2)C1 ZINC001377469187 904916378 /nfs/dbraw/zinc/91/63/78/904916378.db2.gz BXRWDJHXMARPBF-ZDUSSCGKSA-N 2 2 292.383 0.709 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001398824818 914862246 /nfs/dbraw/zinc/86/22/46/914862246.db2.gz NFCMEMHXCWBKRG-GOCOPAARSA-N 2 2 292.383 0.016 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001398824818 914862268 /nfs/dbraw/zinc/86/22/68/914862268.db2.gz NFCMEMHXCWBKRG-GOCOPAARSA-N 2 2 292.383 0.016 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001398824818 914862288 /nfs/dbraw/zinc/86/22/88/914862288.db2.gz NFCMEMHXCWBKRG-GOCOPAARSA-N 2 2 292.383 0.016 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001398824818 914862310 /nfs/dbraw/zinc/86/23/10/914862310.db2.gz NFCMEMHXCWBKRG-GOCOPAARSA-N 2 2 292.383 0.016 20 0 CCADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CCOC)C1 ZINC001377658328 905075767 /nfs/dbraw/zinc/07/57/67/905075767.db2.gz QZIKCFHUKJBOQW-CQSZACIVSA-N 2 2 294.399 0.912 20 0 CCADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CCOC)C1 ZINC001377658328 905075786 /nfs/dbraw/zinc/07/57/86/905075786.db2.gz QZIKCFHUKJBOQW-CQSZACIVSA-N 2 2 294.399 0.912 20 0 CCADLP COCCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1C ZINC001283922368 905084825 /nfs/dbraw/zinc/08/48/25/905084825.db2.gz IWWIAZKQFUDYKF-NEPJUHHUSA-N 2 2 280.372 0.568 20 0 CCADLP CC[C@H](C[NH2+]CC1CC(NC(=O)Cc2c[nH]c[nH+]2)C1)OC ZINC001377729895 905122239 /nfs/dbraw/zinc/12/22/39/905122239.db2.gz XLLHAQUESXWROF-ORHYLEIMSA-N 2 2 294.399 0.862 20 0 CCADLP C[C@H](O)C[NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001377970538 905287151 /nfs/dbraw/zinc/28/71/51/905287151.db2.gz MEYPULLEQRNTEQ-LBPRGKRZSA-N 2 2 296.415 0.418 20 0 CCADLP CC(C)(C)[C@H](C[NH2+]CCO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001284629707 905403122 /nfs/dbraw/zinc/40/31/22/905403122.db2.gz FWUZTDSWVRDMJF-NSHDSACASA-N 2 2 268.361 0.065 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)CC1CCOCC1 ZINC001378162849 905468671 /nfs/dbraw/zinc/46/86/71/905468671.db2.gz JNKPBLNVAQZNTR-LBPRGKRZSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)CC1CCOCC1 ZINC001378162849 905468678 /nfs/dbraw/zinc/46/86/78/905468678.db2.gz JNKPBLNVAQZNTR-LBPRGKRZSA-N 2 2 294.399 0.815 20 0 CCADLP Cc1nc(C[N@H+]2CC[C@H](N(C)C(=O)CC[NH+](C)C)C2)co1 ZINC001378165367 905468962 /nfs/dbraw/zinc/46/89/62/905468962.db2.gz MITHHVJFCYAQKM-AWEZNQCLSA-N 2 2 294.399 0.967 20 0 CCADLP Cc1nc(C[N@@H+]2CC[C@H](N(C)C(=O)CC[NH+](C)C)C2)co1 ZINC001378165367 905468978 /nfs/dbraw/zinc/46/89/78/905468978.db2.gz MITHHVJFCYAQKM-AWEZNQCLSA-N 2 2 294.399 0.967 20 0 CCADLP CC[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CCF ZINC001378267763 905551711 /nfs/dbraw/zinc/55/17/11/905551711.db2.gz LTBIVBXVALIQBG-NWDGAFQWSA-N 2 2 282.363 0.899 20 0 CCADLP CC[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]C[C@H]1CCOC1 ZINC001378300141 905572301 /nfs/dbraw/zinc/57/23/01/905572301.db2.gz ZPWXMJWENCTOEW-KGLIPLIRSA-N 2 2 294.399 0.794 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@](C)(C[NH2+]C[C@@H](C)O)C1CC1 ZINC001378439357 905624322 /nfs/dbraw/zinc/62/43/22/905624322.db2.gz YHMPFYIPCJADDU-BMIGLBTASA-N 2 2 294.399 0.516 20 0 CCADLP Cc1cc(C)c(C(=O)NC[C@H](C)C[NH2+]CC(N)=O)c(C)[nH+]1 ZINC001378586424 905696628 /nfs/dbraw/zinc/69/66/28/905696628.db2.gz JLJSFZSBFGPZIS-SECBINFHSA-N 2 2 292.383 0.448 20 0 CCADLP COCC[N@H+](C)CCN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001379074820 905972544 /nfs/dbraw/zinc/97/25/44/905972544.db2.gz KUQFJFKPRGOGFH-UHFFFAOYSA-N 2 2 296.415 0.963 20 0 CCADLP COCC[N@@H+](C)CCN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001379074820 905972552 /nfs/dbraw/zinc/97/25/52/905972552.db2.gz KUQFJFKPRGOGFH-UHFFFAOYSA-N 2 2 296.415 0.963 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@@H](O)C[NH2+]CC1CCCC1 ZINC001379212368 906064681 /nfs/dbraw/zinc/06/46/81/906064681.db2.gz BSUDAGCHOSIJQE-AWEZNQCLSA-N 2 2 294.399 0.530 20 0 CCADLP CC1(C)CC(C[NH2+][C@@H](CO)CNC(=O)Cn2cc[nH+]c2)C1 ZINC001379541399 906336745 /nfs/dbraw/zinc/33/67/45/906336745.db2.gz QORGILGEARNMFD-CYBMUJFWSA-N 2 2 294.399 0.386 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnsn1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001379549837 906341668 /nfs/dbraw/zinc/34/16/68/906341668.db2.gz FYEGKZZXZOOAAD-MNOVXSKESA-N 2 2 297.428 0.474 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnsn1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001379549837 906341680 /nfs/dbraw/zinc/34/16/80/906341680.db2.gz FYEGKZZXZOOAAD-MNOVXSKESA-N 2 2 297.428 0.474 20 0 CCADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1C[NH+]2CCC1CC2 ZINC001292873664 906358058 /nfs/dbraw/zinc/35/80/58/906358058.db2.gz SAUIOXXSZCKGKN-ZDUSSCGKSA-N 2 2 262.357 0.515 20 0 CCADLP C[C@H]1[C@H](NC(=O)CCc2c[nH]c[nH+]2)CCC[N@@H+]1CCO ZINC001379648413 906407919 /nfs/dbraw/zinc/40/79/19/906407919.db2.gz OXKPOEFXDBTYEZ-WCQYABFASA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H]1[C@H](NC(=O)CCc2c[nH]c[nH+]2)CCC[N@H+]1CCO ZINC001379648413 906407929 /nfs/dbraw/zinc/40/79/29/906407929.db2.gz OXKPOEFXDBTYEZ-WCQYABFASA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H]1[C@H](NC(=O)CCc2c[nH+]c[nH]2)CCC[N@@H+]1CCO ZINC001379648413 906407939 /nfs/dbraw/zinc/40/79/39/906407939.db2.gz OXKPOEFXDBTYEZ-WCQYABFASA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H]1[C@H](NC(=O)CCc2c[nH+]c[nH]2)CCC[N@H+]1CCO ZINC001379648413 906407947 /nfs/dbraw/zinc/40/79/47/906407947.db2.gz OXKPOEFXDBTYEZ-WCQYABFASA-N 2 2 280.372 0.304 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H](C[NH2+]C[C@H]1CCOC1)C1CC1 ZINC001379906332 906529941 /nfs/dbraw/zinc/52/99/41/906529941.db2.gz QXDHAOOPZYUCLA-RISCZKNCSA-N 2 2 292.383 0.473 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3nncs3)CC2)C1 ZINC001380169829 906663743 /nfs/dbraw/zinc/66/37/43/906663743.db2.gz NZEOFOQLZIICOC-SNVBAGLBSA-N 2 2 295.412 0.228 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3nncs3)CC2)C1 ZINC001380169829 906663752 /nfs/dbraw/zinc/66/37/52/906663752.db2.gz NZEOFOQLZIICOC-SNVBAGLBSA-N 2 2 295.412 0.228 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCO)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001380267293 906706425 /nfs/dbraw/zinc/70/64/25/906706425.db2.gz LDBAVZJYFHAFKN-ZIAGYGMSSA-N 2 2 294.399 0.625 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N[C@H]1CCC[N@@H+](CCO)CC1 ZINC001380948411 907000750 /nfs/dbraw/zinc/00/07/50/907000750.db2.gz NEBWWRFJKQJDNC-AWEZNQCLSA-N 2 2 294.399 0.626 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N[C@H]1CCC[N@H+](CCO)CC1 ZINC001380948411 907000770 /nfs/dbraw/zinc/00/07/70/907000770.db2.gz NEBWWRFJKQJDNC-AWEZNQCLSA-N 2 2 294.399 0.626 20 0 CCADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@H+](C)C1CCC1)CO2 ZINC001381003822 907038410 /nfs/dbraw/zinc/03/84/10/907038410.db2.gz AWPCDUCGNRAKRQ-GFCCVEGCSA-N 2 2 281.400 0.450 20 0 CCADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)CO2 ZINC001381003822 907038428 /nfs/dbraw/zinc/03/84/28/907038428.db2.gz AWPCDUCGNRAKRQ-GFCCVEGCSA-N 2 2 281.400 0.450 20 0 CCADLP CC1CC(C[NH+]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1 ZINC001381082895 907066858 /nfs/dbraw/zinc/06/68/58/907066858.db2.gz XCLMAJNLYIKFHZ-YMAMQOFZSA-N 2 2 295.427 0.507 20 0 CCADLP CC1CC(C[NH+]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC001381082895 907066874 /nfs/dbraw/zinc/06/68/74/907066874.db2.gz XCLMAJNLYIKFHZ-YMAMQOFZSA-N 2 2 295.427 0.507 20 0 CCADLP C[C@@H](O)CCC[N@H+](C)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001381594604 907316821 /nfs/dbraw/zinc/31/68/21/907316821.db2.gz DZNXLGWWECPXNG-VXGBXAGGSA-N 2 2 282.388 0.550 20 0 CCADLP C[C@@H](O)CCC[N@@H+](C)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001381594604 907316845 /nfs/dbraw/zinc/31/68/45/907316845.db2.gz DZNXLGWWECPXNG-VXGBXAGGSA-N 2 2 282.388 0.550 20 0 CCADLP CC(C)[NH+]1CCN(CCCN2CC[N@H+](C)[C@H](CO)C2)CC1 ZINC001336175067 907385057 /nfs/dbraw/zinc/38/50/57/907385057.db2.gz UFZOPVLUWBDPSL-INIZCTEOSA-N 2 2 298.475 0.011 20 0 CCADLP CC(C)[NH+]1CCN(CCCN2CC[N@@H+](C)[C@H](CO)C2)CC1 ZINC001336175067 907385074 /nfs/dbraw/zinc/38/50/74/907385074.db2.gz UFZOPVLUWBDPSL-INIZCTEOSA-N 2 2 298.475 0.011 20 0 CCADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1C[NH+](CCC[C@H](C)O)C1 ZINC001381813783 907413314 /nfs/dbraw/zinc/41/33/14/907413314.db2.gz OVYCBEVAHGBKFM-NWDGAFQWSA-N 2 2 294.399 0.550 20 0 CCADLP CCc1noc(C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)n1 ZINC001491568985 907437721 /nfs/dbraw/zinc/43/77/21/907437721.db2.gz OBFWHRDAWLNMPB-JTQLQIEISA-N 2 2 283.376 0.178 20 0 CCADLP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]Cc1ccn(C)n1 ZINC001382128970 907561153 /nfs/dbraw/zinc/56/11/53/907561153.db2.gz ZZSYKLGEGYDHGW-LLVKDONJSA-N 2 2 290.371 0.322 20 0 CCADLP CC1CC(C[NH2+][C@H](CO)CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001382219589 907625703 /nfs/dbraw/zinc/62/57/03/907625703.db2.gz UQYKCKCQDWIHHW-YIZWMMSDSA-N 2 2 294.399 0.455 20 0 CCADLP CC1CC(C[NH2+][C@H](CO)CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001382219589 907625712 /nfs/dbraw/zinc/62/57/12/907625712.db2.gz UQYKCKCQDWIHHW-YIZWMMSDSA-N 2 2 294.399 0.455 20 0 CCADLP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]C[C@H]1CCCOC1 ZINC001492133463 907734272 /nfs/dbraw/zinc/73/42/72/907734272.db2.gz WGYMEOABAXLUBI-ZIAGYGMSSA-N 2 2 294.399 0.794 20 0 CCADLP CC(C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001382472372 907759327 /nfs/dbraw/zinc/75/93/27/907759327.db2.gz KCFCZVHZWQHKBE-GFCCVEGCSA-N 2 2 282.388 0.359 20 0 CCADLP CC(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001382472372 907759340 /nfs/dbraw/zinc/75/93/40/907759340.db2.gz KCFCZVHZWQHKBE-GFCCVEGCSA-N 2 2 282.388 0.359 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1CCn2c[nH+]cc2C1)C[NH+]1CCCC1 ZINC001336815170 907999328 /nfs/dbraw/zinc/99/93/28/907999328.db2.gz YQPYMTVWSXIZRC-OCCSQVGLSA-N 3 2 264.373 0.244 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH+](C)Cc2ccon2)C1 ZINC001316850821 908223002 /nfs/dbraw/zinc/22/30/02/908223002.db2.gz JDLYTEZPQMXALP-CYBMUJFWSA-N 2 2 294.399 0.955 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH+](C)Cc2ccon2)C1 ZINC001316850821 908223012 /nfs/dbraw/zinc/22/30/12/908223012.db2.gz JDLYTEZPQMXALP-CYBMUJFWSA-N 2 2 294.399 0.955 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)NCCC[N@H+](C)Cc2ccon2)C1 ZINC001316850821 908223028 /nfs/dbraw/zinc/22/30/28/908223028.db2.gz JDLYTEZPQMXALP-CYBMUJFWSA-N 2 2 294.399 0.955 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)NCCC[N@@H+](C)Cc2ccon2)C1 ZINC001316850821 908223044 /nfs/dbraw/zinc/22/30/44/908223044.db2.gz JDLYTEZPQMXALP-CYBMUJFWSA-N 2 2 294.399 0.955 20 0 CCADLP CCS(=O)(=O)CC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001308243616 908399333 /nfs/dbraw/zinc/39/93/33/908399333.db2.gz ATAXTIQDJGJYDV-UHFFFAOYSA-N 2 2 271.386 0.672 20 0 CCADLP C[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc[nH+]c2N)C1 ZINC001311652908 908561419 /nfs/dbraw/zinc/56/14/19/908561419.db2.gz IPUYYGFMGXKBDJ-LLVKDONJSA-N 2 2 263.345 0.557 20 0 CCADLP C[N@H+]1CCC[C@@H](NC(=O)NCc2ccc[nH+]c2N)C1 ZINC001311652908 908561429 /nfs/dbraw/zinc/56/14/29/908561429.db2.gz IPUYYGFMGXKBDJ-LLVKDONJSA-N 2 2 263.345 0.557 20 0 CCADLP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCF)[C@@H]1C)[NH+](C)C ZINC001316796395 908773475 /nfs/dbraw/zinc/77/34/75/908773475.db2.gz LHFQVLSWWVXFKY-WOPDTQHZSA-N 2 2 259.369 0.875 20 0 CCADLP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CCF)[C@@H]1C)[NH+](C)C ZINC001316796395 908773481 /nfs/dbraw/zinc/77/34/81/908773481.db2.gz LHFQVLSWWVXFKY-WOPDTQHZSA-N 2 2 259.369 0.875 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC([NH+](C)C)CC1 ZINC001338358608 921445819 /nfs/dbraw/zinc/44/58/19/921445819.db2.gz LCHFSANABASBHC-UHFFFAOYSA-N 2 2 250.346 0.515 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001317064203 908953486 /nfs/dbraw/zinc/95/34/86/908953486.db2.gz HKIQLLJDUFVFON-QWRGUYRKSA-N 2 2 266.345 0.178 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@@H]([NH2+]CCF)C1 ZINC001317121271 908997098 /nfs/dbraw/zinc/99/70/98/908997098.db2.gz KPJQTSLCQWJXGL-GARJFASQSA-N 2 2 268.336 0.795 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@@H]([NH2+]CCF)C1 ZINC001317121271 908997110 /nfs/dbraw/zinc/99/71/10/908997110.db2.gz KPJQTSLCQWJXGL-GARJFASQSA-N 2 2 268.336 0.795 20 0 CCADLP CC(C)OCC[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001317289856 909119978 /nfs/dbraw/zinc/11/99/78/909119978.db2.gz PQZCGFUWGOGBQL-LBPRGKRZSA-N 2 2 268.361 0.402 20 0 CCADLP CCCCOCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001338488337 921482015 /nfs/dbraw/zinc/48/20/15/921482015.db2.gz KZRZBDLOXMVNJK-UHFFFAOYSA-N 2 2 286.420 0.525 20 0 CCADLP CN(CC[NH2+]C[C@H]1C[C@]12CCOC2)C(=O)Cc1[nH]cc[nH+]1 ZINC001317642619 909435337 /nfs/dbraw/zinc/43/53/37/909435337.db2.gz SRRQULXGUWOUHA-DOMZBBRYSA-N 2 2 292.383 0.427 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001389376543 909858195 /nfs/dbraw/zinc/85/81/95/909858195.db2.gz OYLCYXMLEDUJCJ-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP CO[C@@H](C)C[N@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001389376543 909858214 /nfs/dbraw/zinc/85/82/14/909858214.db2.gz OYLCYXMLEDUJCJ-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001417704297 921555278 /nfs/dbraw/zinc/55/52/78/921555278.db2.gz PFXLHZRPOALHQH-NWDGAFQWSA-N 2 2 296.371 0.196 20 0 CCADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001417704297 921555281 /nfs/dbraw/zinc/55/52/81/921555281.db2.gz PFXLHZRPOALHQH-NWDGAFQWSA-N 2 2 296.371 0.196 20 0 CCADLP C[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)n1cc[nH+]c1 ZINC001319585296 910211704 /nfs/dbraw/zinc/21/17/04/910211704.db2.gz HRXPEXXXQAUZHU-UONOGXRCSA-N 2 2 294.399 0.797 20 0 CCADLP C[C@@H](C(=O)NCCCC[N@H+]1CCC[C@@H]1CO)n1cc[nH+]c1 ZINC001319585296 910211718 /nfs/dbraw/zinc/21/17/18/910211718.db2.gz HRXPEXXXQAUZHU-UONOGXRCSA-N 2 2 294.399 0.797 20 0 CCADLP C[C@@H](C[NH2+]CCCF)N(C)C(=O)Cn1cc[nH+]c1 ZINC001319593026 910217737 /nfs/dbraw/zinc/21/77/37/910217737.db2.gz LJRFUKRZSONTQV-NSHDSACASA-N 2 2 256.325 0.679 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+]Cc1cscn1 ZINC001390525520 910493774 /nfs/dbraw/zinc/49/37/74/910493774.db2.gz ZHVOLTRCENDKRW-JTQLQIEISA-N 2 2 293.396 0.943 20 0 CCADLP C[C@H](O)CCC[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001417758472 921598574 /nfs/dbraw/zinc/59/85/74/921598574.db2.gz VTBDIRSZRHTCOF-KBPBESRZSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@H](O)CCC[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001417758472 921598582 /nfs/dbraw/zinc/59/85/82/921598582.db2.gz VTBDIRSZRHTCOF-KBPBESRZSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@H](CC(=O)NCC[C@@H]1CC[N@H+](CCO)C1)n1cc[nH+]c1 ZINC001391315774 911034304 /nfs/dbraw/zinc/03/43/04/911034304.db2.gz HFDDPYRMIKFOSA-ZIAGYGMSSA-N 2 2 294.399 0.655 20 0 CCADLP C[C@H](CC(=O)NCC[C@@H]1CC[N@@H+](CCO)C1)n1cc[nH+]c1 ZINC001391315774 911034325 /nfs/dbraw/zinc/03/43/25/911034325.db2.gz HFDDPYRMIKFOSA-ZIAGYGMSSA-N 2 2 294.399 0.655 20 0 CCADLP C[NH+](C)CCC(=O)NC1C[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC001391442280 911134214 /nfs/dbraw/zinc/13/42/14/911134214.db2.gz ZCMYTBZDZXVXPZ-CYBMUJFWSA-N 2 2 283.416 0.554 20 0 CCADLP CN(C(=O)CCCn1cc[nH+]c1)[C@H]1CC[N@H+](CCCO)C1 ZINC001391641680 911285930 /nfs/dbraw/zinc/28/59/30/911285930.db2.gz ZAKLZDCMRIYTPY-AWEZNQCLSA-N 2 2 294.399 0.578 20 0 CCADLP CN(C(=O)CCCn1cc[nH+]c1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001391641680 911285944 /nfs/dbraw/zinc/28/59/44/911285944.db2.gz ZAKLZDCMRIYTPY-AWEZNQCLSA-N 2 2 294.399 0.578 20 0 CCADLP O=C(NCC[NH+]1CCC(O)CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001417869779 921655250 /nfs/dbraw/zinc/65/52/50/921655250.db2.gz YWNBMIXZSNOKNE-GFCCVEGCSA-N 2 2 292.383 0.018 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH+]cn1C ZINC001391860743 911427031 /nfs/dbraw/zinc/42/70/31/911427031.db2.gz IIVPPZWXWITMHH-TZMCWYRMSA-N 2 2 294.399 0.314 20 0 CCADLP C[NH+](C)Cc1cnc(C[NH2+]CCc2nnc[nH]2)s1 ZINC001321844583 911524933 /nfs/dbraw/zinc/52/49/33/911524933.db2.gz JATMELRHNKDSQI-UHFFFAOYSA-N 2 2 266.374 0.655 20 0 CCADLP CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1nc(C)no1)[NH+](C)C ZINC001392115166 911584897 /nfs/dbraw/zinc/58/48/97/911584897.db2.gz XHTNKOIKGCCBSI-PWSUYJOCSA-N 2 2 297.403 0.655 20 0 CCADLP C[C@H]([NH2+]CCO)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001392183847 911619955 /nfs/dbraw/zinc/61/99/55/911619955.db2.gz MODCNPAUBOCBFC-KBPBESRZSA-N 2 2 294.399 0.482 20 0 CCADLP CN(CC[N@H+](C)C[C@H]1CCCOC1)C(=O)Cn1cc[nH+]c1 ZINC001392335341 911733522 /nfs/dbraw/zinc/73/35/22/911733522.db2.gz QMTUHRMGHFINRN-CQSZACIVSA-N 2 2 294.399 0.700 20 0 CCADLP CN(CC[N@@H+](C)C[C@H]1CCCOC1)C(=O)Cn1cc[nH+]c1 ZINC001392335341 911733531 /nfs/dbraw/zinc/73/35/31/911733531.db2.gz QMTUHRMGHFINRN-CQSZACIVSA-N 2 2 294.399 0.700 20 0 CCADLP O=C(NC[C@@H](O)C[NH2+]CC1CC1)c1cccc2[nH+]ccn21 ZINC001392387510 911776206 /nfs/dbraw/zinc/77/62/06/911776206.db2.gz KMKFFOXOQZWXKQ-LBPRGKRZSA-N 2 2 288.351 0.425 20 0 CCADLP C[C@H](C[NH2+]Cc1csnn1)NC(=O)C[N@H+](C)C1CCC1 ZINC001392479262 911852802 /nfs/dbraw/zinc/85/28/02/911852802.db2.gz COXQBWASPGTELO-SNVBAGLBSA-N 2 2 297.428 0.617 20 0 CCADLP C[C@H](C[NH2+]Cc1csnn1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001392479262 911852811 /nfs/dbraw/zinc/85/28/11/911852811.db2.gz COXQBWASPGTELO-SNVBAGLBSA-N 2 2 297.428 0.617 20 0 CCADLP Cc1nocc1C[NH2+]C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001392530408 911894556 /nfs/dbraw/zinc/89/45/56/911894556.db2.gz JFUYYYRUVZDNLH-SECBINFHSA-N 2 2 291.355 0.852 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1nc(C)no1 ZINC001392526837 911895583 /nfs/dbraw/zinc/89/55/83/911895583.db2.gz YEJUZLDUXMDFDC-SNVBAGLBSA-N 2 2 283.376 0.314 20 0 CCADLP C[C@@H](C[NH2+]Cc1ncccn1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001392551638 911931117 /nfs/dbraw/zinc/93/11/17/911931117.db2.gz VXVCFOORWWOGBH-RYUDHWBXSA-N 2 2 277.372 0.165 20 0 CCADLP C[C@@H](C[NH2+]Cc1ncccn1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001392551638 911931138 /nfs/dbraw/zinc/93/11/38/911931138.db2.gz VXVCFOORWWOGBH-RYUDHWBXSA-N 2 2 277.372 0.165 20 0 CCADLP C[C@@H](CC(=O)N[C@@H](C[NH2+]CCO)C1CC1)n1cc[nH+]c1 ZINC001323080470 912105479 /nfs/dbraw/zinc/10/54/79/912105479.db2.gz ICKQBJFSODOWGK-AAEUAGOBSA-N 2 2 280.372 0.311 20 0 CCADLP Cc1cnc(C[NH2+][C@@H](C)CNC(=O)C2(C[NH+](C)C)CC2)o1 ZINC001399045590 915017302 /nfs/dbraw/zinc/01/73/02/915017302.db2.gz QBKYVGUXHGJFOF-NSHDSACASA-N 2 2 294.399 0.919 20 0 CCADLP COC[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001399238690 915086027 /nfs/dbraw/zinc/08/60/27/915086027.db2.gz QKAREBAKHXDUJZ-KBPBESRZSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@@H](CCNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1cnon1 ZINC001399411016 915159611 /nfs/dbraw/zinc/15/96/11/915159611.db2.gz CGAXNZORJKJMQW-JTQLQIEISA-N 2 2 292.343 0.030 20 0 CCADLP Cc1oncc1C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001399660045 915299436 /nfs/dbraw/zinc/29/94/36/915299436.db2.gz YRPPRPZBOSGKLM-GFCCVEGCSA-N 2 2 280.372 0.483 20 0 CCADLP Cc1oncc1C[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001399660045 915299452 /nfs/dbraw/zinc/29/94/52/915299452.db2.gz YRPPRPZBOSGKLM-GFCCVEGCSA-N 2 2 280.372 0.483 20 0 CCADLP Cc1oncc1C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001399660045 915299467 /nfs/dbraw/zinc/29/94/67/915299467.db2.gz YRPPRPZBOSGKLM-GFCCVEGCSA-N 2 2 280.372 0.483 20 0 CCADLP Cc1oncc1C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001399660045 915299479 /nfs/dbraw/zinc/29/94/79/915299479.db2.gz YRPPRPZBOSGKLM-GFCCVEGCSA-N 2 2 280.372 0.483 20 0 CCADLP COC[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001400048479 915527440 /nfs/dbraw/zinc/52/74/40/915527440.db2.gz HNVQSLCXKVNBIO-IJLUTSLNSA-N 2 2 280.372 0.596 20 0 CCADLP COC[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001400048479 915527455 /nfs/dbraw/zinc/52/74/55/915527455.db2.gz HNVQSLCXKVNBIO-IJLUTSLNSA-N 2 2 280.372 0.596 20 0 CCADLP COCCC[NH2+]CC1CC(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001328949183 915538010 /nfs/dbraw/zinc/53/80/10/915538010.db2.gz DIDQIXFQQKZWQL-UHFFFAOYSA-N 2 2 294.399 0.782 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1C[NH+](CCF)C1 ZINC001400573645 915813739 /nfs/dbraw/zinc/81/37/39/915813739.db2.gz NQXXPXMNCVPDHU-TXEJJXNPSA-N 2 2 271.380 0.877 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC1C[NH+](CCF)C1 ZINC001400573645 915813752 /nfs/dbraw/zinc/81/37/52/915813752.db2.gz NQXXPXMNCVPDHU-TXEJJXNPSA-N 2 2 271.380 0.877 20 0 CCADLP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nc(C)no1 ZINC001400903045 915979105 /nfs/dbraw/zinc/97/91/05/915979105.db2.gz UGPNMDYDEMQLCU-NEPJUHHUSA-N 2 2 295.387 0.314 20 0 CCADLP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1nc(C)no1 ZINC001400903045 915979126 /nfs/dbraw/zinc/97/91/26/915979126.db2.gz UGPNMDYDEMQLCU-NEPJUHHUSA-N 2 2 295.387 0.314 20 0 CCADLP [NH3+]CC1(CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001329670432 916110950 /nfs/dbraw/zinc/11/09/50/916110950.db2.gz FOOSBASOWXGHEQ-LLVKDONJSA-N 2 2 262.357 0.691 20 0 CCADLP C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC001329850275 916224140 /nfs/dbraw/zinc/22/41/40/916224140.db2.gz BUSPSZUSZZQDAA-IUCAKERBSA-N 2 2 263.345 0.007 20 0 CCADLP Cc1cnccc1C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC001330197427 916470115 /nfs/dbraw/zinc/47/01/15/916470115.db2.gz FBCJNWKLMKZJQP-UHFFFAOYSA-N 2 2 259.313 0.634 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001401908742 916681874 /nfs/dbraw/zinc/68/18/74/916681874.db2.gz NJXQDAQZKPMSEM-JSGCOSHPSA-N 2 2 294.399 0.578 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001401908742 916681879 /nfs/dbraw/zinc/68/18/79/916681879.db2.gz NJXQDAQZKPMSEM-JSGCOSHPSA-N 2 2 294.399 0.578 20 0 CCADLP CN1C[C@@H](C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)OC1=O ZINC001330568049 916704468 /nfs/dbraw/zinc/70/44/68/916704468.db2.gz RKHJGHARRYITCI-GXTWGEPZSA-N 2 2 267.373 0.855 20 0 CCADLP CN1C[C@@H](C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)OC1=O ZINC001330568049 916704483 /nfs/dbraw/zinc/70/44/83/916704483.db2.gz RKHJGHARRYITCI-GXTWGEPZSA-N 2 2 267.373 0.855 20 0 CCADLP CN1C[C@@H](C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)OC1=O ZINC001330568049 916704496 /nfs/dbraw/zinc/70/44/96/916704496.db2.gz RKHJGHARRYITCI-GXTWGEPZSA-N 2 2 267.373 0.855 20 0 CCADLP CN1C[C@@H](C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)OC1=O ZINC001330568049 916704508 /nfs/dbraw/zinc/70/45/08/916704508.db2.gz RKHJGHARRYITCI-GXTWGEPZSA-N 2 2 267.373 0.855 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2nncs2)CC1 ZINC001401943452 916723754 /nfs/dbraw/zinc/72/37/54/916723754.db2.gz YYDUQXBQQQNWRV-JTQLQIEISA-N 2 2 295.412 0.371 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2nncs2)CC1 ZINC001401943452 916723764 /nfs/dbraw/zinc/72/37/64/916723764.db2.gz YYDUQXBQQQNWRV-JTQLQIEISA-N 2 2 295.412 0.371 20 0 CCADLP COC[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001401946828 916726966 /nfs/dbraw/zinc/72/69/66/916726966.db2.gz KXMSTUVCWIYHPO-IJLUTSLNSA-N 2 2 292.383 0.787 20 0 CCADLP COC[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001401946828 916726980 /nfs/dbraw/zinc/72/69/80/916726980.db2.gz KXMSTUVCWIYHPO-IJLUTSLNSA-N 2 2 292.383 0.787 20 0 CCADLP Cc1cc(C[NH2+]C2(CNC(=O)Cn3cc[nH+]c3)CC2)on1 ZINC001401987046 916741141 /nfs/dbraw/zinc/74/11/41/916741141.db2.gz STGMIBCYLKDRMD-UHFFFAOYSA-N 2 2 289.339 0.618 20 0 CCADLP CC(C)[C@H](C(=O)N(C)C1C[NH+](CCCO)C1)[NH+]1CCCC1 ZINC001402044701 916770877 /nfs/dbraw/zinc/77/08/77/916770877.db2.gz QUSJXPZPWRYNQV-OAHLLOKOSA-N 2 2 297.443 0.632 20 0 CCADLP COCCO[C@H]1C[C@@H](CO)C[N@H+](CCc2c[nH+]cn2C)C1 ZINC001330670855 916783909 /nfs/dbraw/zinc/78/39/09/916783909.db2.gz BTHUPJTYYXNLBB-HIFRSBDPSA-N 2 2 297.399 0.308 20 0 CCADLP COCCO[C@H]1C[C@@H](CO)C[N@@H+](CCc2c[nH+]cn2C)C1 ZINC001330670855 916783926 /nfs/dbraw/zinc/78/39/26/916783926.db2.gz BTHUPJTYYXNLBB-HIFRSBDPSA-N 2 2 297.399 0.308 20 0 CCADLP COC[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001402070400 916792342 /nfs/dbraw/zinc/79/23/42/916792342.db2.gz HGBMUPZYEXFDAF-STQMWFEESA-N 2 2 294.399 0.578 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC001402115215 916814884 /nfs/dbraw/zinc/81/48/84/916814884.db2.gz FPXRYPURHPXKHH-AWEZNQCLSA-N 2 2 294.399 0.626 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001402115215 916814903 /nfs/dbraw/zinc/81/49/03/916814903.db2.gz FPXRYPURHPXKHH-AWEZNQCLSA-N 2 2 294.399 0.626 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001402550750 917088120 /nfs/dbraw/zinc/08/81/20/917088120.db2.gz QDBHOYBWWDUXRG-AVGNSLFASA-N 2 2 280.372 0.281 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC001331392822 917303118 /nfs/dbraw/zinc/30/31/18/917303118.db2.gz KBHWSAJVPOXSKV-GXFFZTMASA-N 2 2 263.345 0.171 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)o1 ZINC001402896071 917321825 /nfs/dbraw/zinc/32/18/25/917321825.db2.gz STMVBWBZYAZILC-CKYFFXLPSA-N 2 2 295.387 0.313 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)o1 ZINC001402896071 917321842 /nfs/dbraw/zinc/32/18/42/917321842.db2.gz STMVBWBZYAZILC-CKYFFXLPSA-N 2 2 295.387 0.313 20 0 CCADLP Cc1noc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]2CCCC2)n1 ZINC001403029402 917431729 /nfs/dbraw/zinc/43/17/29/917431729.db2.gz GMIQAITYFXEZMF-WDEREUQCSA-N 2 2 295.387 0.457 20 0 CCADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CC(N)=O ZINC001403183397 917568381 /nfs/dbraw/zinc/56/83/81/917568381.db2.gz BAOXBGOVGFOXPK-QWHCGFSZSA-N 2 2 298.431 0.171 20 0 CCADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CC(N)=O ZINC001403183397 917568399 /nfs/dbraw/zinc/56/83/99/917568399.db2.gz BAOXBGOVGFOXPK-QWHCGFSZSA-N 2 2 298.431 0.171 20 0 CCADLP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)CC(N)=O ZINC001403183397 917568413 /nfs/dbraw/zinc/56/84/13/917568413.db2.gz BAOXBGOVGFOXPK-QWHCGFSZSA-N 2 2 298.431 0.171 20 0 CCADLP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)CC(N)=O ZINC001403183397 917568433 /nfs/dbraw/zinc/56/84/33/917568433.db2.gz BAOXBGOVGFOXPK-QWHCGFSZSA-N 2 2 298.431 0.171 20 0 CCADLP COC[C@H](C)[NH+]1CC([C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001403357762 917674358 /nfs/dbraw/zinc/67/43/58/917674358.db2.gz VCMIBPBIONATCI-RYUDHWBXSA-N 2 2 280.372 0.355 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1C ZINC001331926169 917721671 /nfs/dbraw/zinc/72/16/71/917721671.db2.gz DODDBLBTRZDRGK-GHMZBOCLSA-N 2 2 266.345 0.178 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cnon1 ZINC001403624116 917858131 /nfs/dbraw/zinc/85/81/31/917858131.db2.gz NZTICBDUGRSDQW-LLVKDONJSA-N 2 2 283.376 0.346 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cnon1 ZINC001403624116 917858140 /nfs/dbraw/zinc/85/81/40/917858140.db2.gz NZTICBDUGRSDQW-LLVKDONJSA-N 2 2 283.376 0.346 20 0 CCADLP CC[C@@H](C(=O)NCC[N@H+](C)Cc1cc(C)ncn1)[NH+](C)C ZINC001403690307 917926889 /nfs/dbraw/zinc/92/68/89/917926889.db2.gz VJEUNCONLFEUCL-AWEZNQCLSA-N 2 2 293.415 0.673 20 0 CCADLP CC[C@@H](C(=O)NCC[N@@H+](C)Cc1cc(C)ncn1)[NH+](C)C ZINC001403690307 917926906 /nfs/dbraw/zinc/92/69/06/917926906.db2.gz VJEUNCONLFEUCL-AWEZNQCLSA-N 2 2 293.415 0.673 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CCC[N@H+]1CCCO ZINC001403979469 918152323 /nfs/dbraw/zinc/15/23/23/918152323.db2.gz BREFFKRKMVVCCJ-CYBMUJFWSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CCC[N@@H+]1CCCO ZINC001403979469 918152334 /nfs/dbraw/zinc/15/23/34/918152334.db2.gz BREFFKRKMVVCCJ-CYBMUJFWSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CCC[N@H+]1CCCO ZINC001403979469 918152343 /nfs/dbraw/zinc/15/23/43/918152343.db2.gz BREFFKRKMVVCCJ-CYBMUJFWSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CCC[N@@H+]1CCCO ZINC001403979469 918152349 /nfs/dbraw/zinc/15/23/49/918152349.db2.gz BREFFKRKMVVCCJ-CYBMUJFWSA-N 2 2 280.372 0.305 20 0 CCADLP C[C@H](C(=O)N[C@H]1C[NH2+]CCC1(F)F)n1cc[nH+]c1 ZINC001332515345 918241568 /nfs/dbraw/zinc/24/15/68/918241568.db2.gz GGVYSFQCXJGJAG-BDAKNGLRSA-N 2 2 258.272 0.558 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCN(C)C(=O)C[N@@H+](C)C(C)C)o1 ZINC001404334278 918310043 /nfs/dbraw/zinc/31/00/43/918310043.db2.gz SGIZQQKXSLJJIK-LLVKDONJSA-N 2 2 297.403 0.827 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCN(C)C(=O)C[N@H+](C)C(C)C)o1 ZINC001404334278 918310060 /nfs/dbraw/zinc/31/00/60/918310060.db2.gz SGIZQQKXSLJJIK-LLVKDONJSA-N 2 2 297.403 0.827 20 0 CCADLP C[C@H](O)C[N@H+]1CCC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001404710274 918436852 /nfs/dbraw/zinc/43/68/52/918436852.db2.gz YNPOAVRWUQLRIM-STQMWFEESA-N 2 2 294.399 0.314 20 0 CCADLP Cc1cc(C[NH2+]C[C@H](C)N(C)C(=O)Cc2c[nH+]c[nH]2)on1 ZINC001405879946 918958455 /nfs/dbraw/zinc/95/84/55/918958455.db2.gz YIAXQLMDUKBGET-NSHDSACASA-N 2 2 291.355 0.885 20 0 CCADLP CCN(C(=O)NCc1c[nH+]cn1C)[C@@H]1CC[NH2+]C1 ZINC001333599860 919032901 /nfs/dbraw/zinc/03/29/01/919032901.db2.gz STLUYFRPRQQWKZ-SNVBAGLBSA-N 2 2 251.334 0.314 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@H]1C[C@@]1(C)Br ZINC001333725746 919122145 /nfs/dbraw/zinc/12/21/45/919122145.db2.gz ZYLXXNSZFILVAO-IJLUTSLNSA-N 2 2 290.249 0.995 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@H]1C[C@@]1(C)Br ZINC001333725746 919122150 /nfs/dbraw/zinc/12/21/50/919122150.db2.gz ZYLXXNSZFILVAO-IJLUTSLNSA-N 2 2 290.249 0.995 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](O)C[NH2+]CC1CCCC1 ZINC001406275169 919149037 /nfs/dbraw/zinc/14/90/37/919149037.db2.gz RGWLLPBKCDZFLF-ZDUSSCGKSA-N 2 2 280.372 0.209 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](O)C[NH2+]CC1CCC1 ZINC001406279800 919152056 /nfs/dbraw/zinc/15/20/56/919152056.db2.gz HYMHZGFCSSLJRF-FZMZJTMJSA-N 2 2 294.399 0.455 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](O)C[NH2+]CC1CCC1 ZINC001406279800 919152066 /nfs/dbraw/zinc/15/20/66/919152066.db2.gz HYMHZGFCSSLJRF-FZMZJTMJSA-N 2 2 294.399 0.455 20 0 CCADLP Cc1ncoc1C[NH2+]C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001406416140 919250709 /nfs/dbraw/zinc/25/07/09/919250709.db2.gz SKQWHWPYMGKLOW-SECBINFHSA-N 2 2 291.355 0.852 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@@H+]1CC1CCOCC1 ZINC001406894714 919523928 /nfs/dbraw/zinc/52/39/28/919523928.db2.gz LDACYTMVGBMNAH-AWEZNQCLSA-N 2 2 292.383 0.500 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@H+]1CC1CCOCC1 ZINC001406894714 919523939 /nfs/dbraw/zinc/52/39/39/919523939.db2.gz LDACYTMVGBMNAH-AWEZNQCLSA-N 2 2 292.383 0.500 20 0 CCADLP CCCC[N@@H+]1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001407352021 919716968 /nfs/dbraw/zinc/71/69/68/919716968.db2.gz NBTYPTWEHHLTBR-AWEZNQCLSA-N 2 2 280.372 0.305 20 0 CCADLP CCCC[N@H+]1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001407352021 919716977 /nfs/dbraw/zinc/71/69/77/919716977.db2.gz NBTYPTWEHHLTBR-AWEZNQCLSA-N 2 2 280.372 0.305 20 0 CCADLP CC(C)[NH2+]CCN(CCO)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001407649732 919842480 /nfs/dbraw/zinc/84/24/80/919842480.db2.gz CILTUQFFKVNSAE-CYBMUJFWSA-N 2 2 294.399 0.264 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c[nH]1 ZINC001414082230 919905991 /nfs/dbraw/zinc/90/59/91/919905991.db2.gz FQYNIJVKACWVGA-OLZOCXBDSA-N 2 2 293.367 0.754 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c[nH]1 ZINC001414082230 919906000 /nfs/dbraw/zinc/90/60/00/919906000.db2.gz FQYNIJVKACWVGA-OLZOCXBDSA-N 2 2 293.367 0.754 20 0 CCADLP CC[C@H](F)C[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001407843829 919918761 /nfs/dbraw/zinc/91/87/61/919918761.db2.gz BMNQDPROFNJWOY-STQMWFEESA-N 2 2 298.362 0.448 20 0 CCADLP C[NH+](C)[C@@H]1C[C@@H]([NH2+]C[C@H](O)CC(C)(C)O)C1(C)C ZINC001335469900 920219097 /nfs/dbraw/zinc/21/90/97/920219097.db2.gz QCVBLTOKUMXQCI-IJLUTSLNSA-N 2 2 258.406 0.827 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC001335556069 920277356 /nfs/dbraw/zinc/27/73/56/920277356.db2.gz UTTMNFCARSSPRO-UHFFFAOYSA-N 3 2 295.431 0.019 20 0 CCADLP CCN(C(=O)NCC[NH+]1CCC([NH3+])CC1)C1CCC1 ZINC001335623294 920331042 /nfs/dbraw/zinc/33/10/42/920331042.db2.gz NQDSJRXHCNOPTK-UHFFFAOYSA-N 2 2 268.405 0.994 20 0 CCADLP CCOCCN(C)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001335645640 920345550 /nfs/dbraw/zinc/34/55/50/920345550.db2.gz KBAAIKHBFHWUQI-UHFFFAOYSA-N 2 2 272.393 0.087 20 0 CCADLP [NH3+][C@H]1CCCN(C(=O)NCCCn2cc[nH+]c2)C1 ZINC001335898396 920499903 /nfs/dbraw/zinc/49/99/03/920499903.db2.gz RLEWILYFDSZSSU-NSHDSACASA-N 2 2 251.334 0.406 20 0 CCADLP Cc1nnc(C[NH2+]CCCCN2CC[NH+](C)CC2)s1 ZINC001336707636 920938773 /nfs/dbraw/zinc/93/87/73/920938773.db2.gz QZTNEPKDYMNTOI-UHFFFAOYSA-N 2 2 283.445 0.964 20 0 CCADLP CC[C@@H](CO)Nc1cc(N2CC([NH+](C)C)C2)nc[nH+]1 ZINC001336735377 920966492 /nfs/dbraw/zinc/96/64/92/920966492.db2.gz NNGQZIBIEFTQDJ-JTQLQIEISA-N 2 2 265.361 0.410 20 0 CCADLP CC(C)OCC[C@@H](O)C[NH2+][C@H]1Cc2c[nH+]cn2C1 ZINC001336829324 921044224 /nfs/dbraw/zinc/04/42/24/921044224.db2.gz MTXBLJPVZWJZJN-WCQYABFASA-N 2 2 253.346 0.573 20 0 CCADLP CC(C)(C(=O)N1CC[NH2+]C(C)(C)C1)c1c[nH+]c[nH]1 ZINC001340181704 921998447 /nfs/dbraw/zinc/99/84/47/921998447.db2.gz ILJWOHVDGYSOFZ-UHFFFAOYSA-N 2 2 250.346 0.898 20 0 CCADLP Cc1cc(C[NH2+][C@H](C)CCNC(=O)Cn2cc[nH+]c2)on1 ZINC001418437394 922108548 /nfs/dbraw/zinc/10/85/48/922108548.db2.gz MWKNQVRMOQHZOX-LLVKDONJSA-N 2 2 291.355 0.864 20 0 CCADLP Cc1oncc1C[N@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001418513498 922205052 /nfs/dbraw/zinc/20/50/52/922205052.db2.gz YCTAOEONRPOYEM-CYBMUJFWSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1oncc1C[N@@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001418513498 922205059 /nfs/dbraw/zinc/20/50/59/922205059.db2.gz YCTAOEONRPOYEM-CYBMUJFWSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1oncc1C[NH+](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001418513498 922205070 /nfs/dbraw/zinc/20/50/70/922205070.db2.gz YCTAOEONRPOYEM-CYBMUJFWSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1oncc1C[NH+](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001418513498 922205080 /nfs/dbraw/zinc/20/50/80/922205080.db2.gz YCTAOEONRPOYEM-CYBMUJFWSA-N 2 2 294.399 0.873 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001340924138 922279802 /nfs/dbraw/zinc/27/98/02/922279802.db2.gz VXAKPBMGFSUBCG-MNOVXSKESA-N 2 2 250.346 0.560 20 0 CCADLP Cc1noc([C@H](C)[NH2+]CCN(C)C(=O)C[N@@H+](C)C(C)C)n1 ZINC001418829124 922440146 /nfs/dbraw/zinc/44/01/46/922440146.db2.gz LSVHAJQKNGOVII-NSHDSACASA-N 2 2 297.403 0.827 20 0 CCADLP Cc1noc([C@H](C)[NH2+]CCN(C)C(=O)C[N@H+](C)C(C)C)n1 ZINC001418829124 922440157 /nfs/dbraw/zinc/44/01/57/922440157.db2.gz LSVHAJQKNGOVII-NSHDSACASA-N 2 2 297.403 0.827 20 0 CCADLP CC[C@@H](C(=O)NC1C[NH+](C[C@@H]2CCCCO2)C1)[NH+](C)C ZINC001419000960 922560030 /nfs/dbraw/zinc/56/00/30/922560030.db2.gz WTNHXMRMOQNPRB-KBPBESRZSA-N 2 2 283.416 0.696 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)[C@]12CC[NH2+][C@H]1CCCC2 ZINC001341599017 922574204 /nfs/dbraw/zinc/57/42/04/922574204.db2.gz JJXSHGGVFZPBOA-SMDDNHRTSA-N 2 2 262.357 0.991 20 0 CCADLP C[C@H]1CC[C@H](C[NH+]2CC(CNC(=O)Cc3[nH]cc[nH+]3)C2)O1 ZINC001419036653 922590037 /nfs/dbraw/zinc/59/00/37/922590037.db2.gz BMQPAIUMVLFUQT-WCQYABFASA-N 2 2 292.383 0.568 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001342069540 922788514 /nfs/dbraw/zinc/78/85/14/922788514.db2.gz NVDJKZDQMOSVBM-DDHJBXDOSA-N 2 2 262.357 0.862 20 0 CCADLP CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001342130746 922821461 /nfs/dbraw/zinc/82/14/61/922821461.db2.gz ZDOOYMNNFXNCHU-MEWQQHAOSA-N 2 2 260.341 0.122 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]([NH3+])C1CCC1 ZINC001342195475 922856982 /nfs/dbraw/zinc/85/69/82/922856982.db2.gz FAEJJRWTMXKZNW-WCQYABFASA-N 2 2 269.389 0.293 20 0 CCADLP Cc1conc1C[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001419777678 923091508 /nfs/dbraw/zinc/09/15/08/923091508.db2.gz UMBXPUUIIZUGKJ-LBPRGKRZSA-N 2 2 291.355 0.816 20 0 CCADLP O=C(N[C@@H]1C[NH2+]CC12CC2)[C@@H]1CCc2c[nH+]cn2C1 ZINC001342851683 923112249 /nfs/dbraw/zinc/11/22/49/923112249.db2.gz GKKLDXMHYFNSCI-ZYHUDNBSSA-N 2 2 260.341 0.314 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001419909674 923159579 /nfs/dbraw/zinc/15/95/79/923159579.db2.gz KMMFDUPPTLBZLH-GHMZBOCLSA-N 2 2 296.419 0.610 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001419909674 923159585 /nfs/dbraw/zinc/15/95/85/923159585.db2.gz KMMFDUPPTLBZLH-GHMZBOCLSA-N 2 2 296.419 0.610 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2[NH2+]CCc3occc32)C[C@@H](C)[NH2+]1 ZINC001343038118 923175618 /nfs/dbraw/zinc/17/56/18/923175618.db2.gz PXXXDTHGOZSTCZ-BREBYQMCSA-N 2 2 263.341 0.675 20 0 CCADLP COC[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001420474041 923700475 /nfs/dbraw/zinc/70/04/75/923700475.db2.gz YQCOARSZOJDFGT-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP COC[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001420474041 923700481 /nfs/dbraw/zinc/70/04/81/923700481.db2.gz YQCOARSZOJDFGT-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001420577575 923795940 /nfs/dbraw/zinc/79/59/40/923795940.db2.gz WWZRHFKKOCXHTQ-CQSZACIVSA-N 2 2 299.378 0.916 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001420577575 923795948 /nfs/dbraw/zinc/79/59/48/923795948.db2.gz WWZRHFKKOCXHTQ-CQSZACIVSA-N 2 2 299.378 0.916 20 0 CCADLP CO[C@H](C)C[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001420934798 924039280 /nfs/dbraw/zinc/03/92/80/924039280.db2.gz SCPKPLWWFRLHPP-CHWSQXEVSA-N 2 2 294.399 0.767 20 0 CCADLP CO[C@H](C)C[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001420934798 924039290 /nfs/dbraw/zinc/03/92/90/924039290.db2.gz SCPKPLWWFRLHPP-CHWSQXEVSA-N 2 2 294.399 0.767 20 0 CCADLP C[C@@H]1C[C@H]1CNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001346192413 924104612 /nfs/dbraw/zinc/10/46/12/924104612.db2.gz TZSQXYYUUJPLNP-MNOVXSKESA-N 2 2 254.378 0.365 20 0 CCADLP C[C@@H]1CN(C(=O)NCCCCn2cc[nH+]c2)C[C@H]1[NH3+] ZINC001346213871 924116243 /nfs/dbraw/zinc/11/62/43/924116243.db2.gz QJWKOTXJMXCDDF-VXGBXAGGSA-N 2 2 265.361 0.652 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001346467980 924229979 /nfs/dbraw/zinc/22/99/79/924229979.db2.gz LFOASWSTHXNWOB-CHWSQXEVSA-N 2 2 264.373 0.952 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@@]1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001421254192 924242173 /nfs/dbraw/zinc/24/21/73/924242173.db2.gz ULHBRNWYEBJYOK-SWLSCSKDSA-N 2 2 294.399 0.815 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC001347103462 924374264 /nfs/dbraw/zinc/37/42/64/924374264.db2.gz ZONHFBJCZKPIIR-NEPJUHHUSA-N 2 2 262.357 0.515 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC001347103462 924374267 /nfs/dbraw/zinc/37/42/67/924374267.db2.gz ZONHFBJCZKPIIR-NEPJUHHUSA-N 2 2 262.357 0.515 20 0 CCADLP COCC[NH2+]C1CCN(C(=O)[C@H](C)n2cc[nH+]c2)CC1 ZINC001349655070 925017575 /nfs/dbraw/zinc/01/75/75/925017575.db2.gz CKXVVLRKALZMQU-LBPRGKRZSA-N 2 2 280.372 0.671 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@H]1C[NH+](C)C ZINC001351128416 925365486 /nfs/dbraw/zinc/36/54/86/925365486.db2.gz GSKUKHMYDKMRGW-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP CNc1cc(CNC(=O)N[C@@H](C)C[NH+](C)C)cc[nH+]1 ZINC001351614335 925444801 /nfs/dbraw/zinc/44/48/01/925444801.db2.gz XTLHHPAZNMGIRN-JTQLQIEISA-N 2 2 265.361 0.873 20 0 CCADLP [NH3+]CC[C@H]1CCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC001353254155 925774088 /nfs/dbraw/zinc/77/40/88/925774088.db2.gz KLKDRERXWDLJQH-NSHDSACASA-N 2 2 251.334 0.263 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1[NH2+]CCc2occc21 ZINC001354398412 926102512 /nfs/dbraw/zinc/10/25/12/926102512.db2.gz XTIFVDODNAXFTO-ZWNOBZJWSA-N 2 2 263.341 0.677 20 0 CCADLP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1[NH2+]CCc2occc21 ZINC001354398412 926102520 /nfs/dbraw/zinc/10/25/20/926102520.db2.gz XTIFVDODNAXFTO-ZWNOBZJWSA-N 2 2 263.341 0.677 20 0 CCADLP CCO[C@H](C(=O)NCC[NH+]1CCC([NH3+])CC1)C1CC1 ZINC001354771227 926162703 /nfs/dbraw/zinc/16/27/03/926162703.db2.gz SZKNMKHYYKIMLT-ZDUSSCGKSA-N 2 2 269.389 0.341 20 0 CCADLP C=CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001356508587 926395773 /nfs/dbraw/zinc/39/57/73/926395773.db2.gz ACYYRXDECPGEEC-CYBMUJFWSA-N 2 2 251.374 0.799 20 0 CCADLP C=CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001356508587 926395782 /nfs/dbraw/zinc/39/57/82/926395782.db2.gz ACYYRXDECPGEEC-CYBMUJFWSA-N 2 2 251.374 0.799 20 0 CCADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCOC(N)=O ZINC001357127009 926486740 /nfs/dbraw/zinc/48/67/40/926486740.db2.gz SDMAMLAQPMPYKO-CYBMUJFWSA-N 2 2 281.356 0.578 20 0 CCADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCOC(N)=O ZINC001357127009 926486745 /nfs/dbraw/zinc/48/67/45/926486745.db2.gz SDMAMLAQPMPYKO-CYBMUJFWSA-N 2 2 281.356 0.578 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)N2CC(C3CC3)C2)CC1 ZINC001357582696 926565080 /nfs/dbraw/zinc/56/50/80/926565080.db2.gz PTSJCWQIUCKHER-UHFFFAOYSA-N 2 2 266.389 0.461 20 0 CCADLP COC[C@H](C)[NH2+]CC[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001421662692 926834351 /nfs/dbraw/zinc/83/43/51/926834351.db2.gz XZHVXLPLWOAJJL-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C[NH2+]C[C@H]1CCOC1 ZINC001421704772 926861457 /nfs/dbraw/zinc/86/14/57/926861457.db2.gz VOOVBOFOZDBQKY-CHWSQXEVSA-N 2 2 294.399 0.721 20 0 CCADLP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)C[NH2+]C[C@H]1CCOC1 ZINC001421704772 926861475 /nfs/dbraw/zinc/86/14/75/926861475.db2.gz VOOVBOFOZDBQKY-CHWSQXEVSA-N 2 2 294.399 0.721 20 0 CCADLP CCC(=O)NC1CC[NH+](C[C@@H](O)C[N@@H+](C)CC)CC1 ZINC001422256162 927178026 /nfs/dbraw/zinc/17/80/26/927178026.db2.gz YOZAJFRPERRYRA-ZDUSSCGKSA-N 2 2 271.405 0.290 20 0 CCADLP CCC(=O)NC1CC[NH+](C[C@@H](O)C[N@H+](C)CC)CC1 ZINC001422256162 927178032 /nfs/dbraw/zinc/17/80/32/927178032.db2.gz YOZAJFRPERRYRA-ZDUSSCGKSA-N 2 2 271.405 0.290 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC001361995738 927505129 /nfs/dbraw/zinc/50/51/29/927505129.db2.gz PLGYYMXWZNCMJT-OLZOCXBDSA-N 2 2 271.405 0.411 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC001361995738 927505134 /nfs/dbraw/zinc/50/51/34/927505134.db2.gz PLGYYMXWZNCMJT-OLZOCXBDSA-N 2 2 271.405 0.411 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@@H+]1CCOC1CCC1 ZINC001423179115 927711675 /nfs/dbraw/zinc/71/16/75/927711675.db2.gz WFVCQFUFGKVWES-ZDUSSCGKSA-N 2 2 292.383 0.643 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@H+]1CCOC1CCC1 ZINC001423179115 927711681 /nfs/dbraw/zinc/71/16/81/927711681.db2.gz WFVCQFUFGKVWES-ZDUSSCGKSA-N 2 2 292.383 0.643 20 0 CCADLP Cc1oncc1C[NH2+][C@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001423180480 927715201 /nfs/dbraw/zinc/71/52/01/927715201.db2.gz CGRYNDHBBROQPQ-LLVKDONJSA-N 2 2 291.355 0.816 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+]CCn2cccn2)CC1 ZINC001423277957 927784975 /nfs/dbraw/zinc/78/49/75/927784975.db2.gz BDGZKROYOVRSNX-UHFFFAOYSA-N 2 2 288.355 0.087 20 0 CCADLP CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001423527350 927907312 /nfs/dbraw/zinc/90/73/12/927907312.db2.gz BPZSLYOEJOBTAT-LLVKDONJSA-N 2 2 282.388 0.458 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001423527350 927907317 /nfs/dbraw/zinc/90/73/17/927907317.db2.gz BPZSLYOEJOBTAT-LLVKDONJSA-N 2 2 282.388 0.458 20 0 CCADLP CC(C)[N@@H+]1CC[C@](O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001423783443 927981054 /nfs/dbraw/zinc/98/10/54/927981054.db2.gz YZKMUYWEJXMVAY-AWEZNQCLSA-N 2 2 280.372 0.235 20 0 CCADLP CC(C)[N@H+]1CC[C@](O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001423783443 927981069 /nfs/dbraw/zinc/98/10/69/927981069.db2.gz YZKMUYWEJXMVAY-AWEZNQCLSA-N 2 2 280.372 0.235 20 0 CCADLP Cc1[nH]c(CNC(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)[nH+]c1C ZINC001362418149 927991952 /nfs/dbraw/zinc/99/19/52/927991952.db2.gz ITMBDGVKRAVUID-VXGBXAGGSA-N 2 2 280.372 0.488 20 0 CCADLP Cc1[nH]c(CNC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)[nH+]c1C ZINC001362418149 927991961 /nfs/dbraw/zinc/99/19/61/927991961.db2.gz ITMBDGVKRAVUID-VXGBXAGGSA-N 2 2 280.372 0.488 20 0 CCADLP CC[N@@H+]1CC[C@H]1C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC001362605525 928238639 /nfs/dbraw/zinc/23/86/39/928238639.db2.gz PPIKGTXBPXQHEF-OLZOCXBDSA-N 2 2 283.416 0.384 20 0 CCADLP CC[N@H+]1CC[C@H]1C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC001362605525 928238651 /nfs/dbraw/zinc/23/86/51/928238651.db2.gz PPIKGTXBPXQHEF-OLZOCXBDSA-N 2 2 283.416 0.384 20 0 CCADLP CC[NH+]1CC[C@H]1C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC001362605525 928238664 /nfs/dbraw/zinc/23/86/64/928238664.db2.gz PPIKGTXBPXQHEF-OLZOCXBDSA-N 2 2 283.416 0.384 20 0 CCADLP CC[NH+]1CC[C@H]1C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC001362605525 928238673 /nfs/dbraw/zinc/23/86/73/928238673.db2.gz PPIKGTXBPXQHEF-OLZOCXBDSA-N 2 2 283.416 0.384 20 0 CCADLP CCn1nncc1C[N@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001425006472 928397196 /nfs/dbraw/zinc/39/71/96/928397196.db2.gz GONBTRSRPIZHHP-LBPRGKRZSA-N 2 2 296.419 0.186 20 0 CCADLP CCn1nncc1C[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001425006472 928397204 /nfs/dbraw/zinc/39/72/04/928397204.db2.gz GONBTRSRPIZHHP-LBPRGKRZSA-N 2 2 296.419 0.186 20 0 CCADLP CC(C)(C)CC[NH2+][C@@H](CO)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001425761482 928662523 /nfs/dbraw/zinc/66/25/23/928662523.db2.gz QMXWYWKOHLEFAT-CYBMUJFWSA-N 2 2 296.415 0.845 20 0 CCADLP CC(C)(C)CC[NH2+][C@@H](CO)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001425761482 928662533 /nfs/dbraw/zinc/66/25/33/928662533.db2.gz QMXWYWKOHLEFAT-CYBMUJFWSA-N 2 2 296.415 0.845 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001363659766 929462234 /nfs/dbraw/zinc/46/22/34/929462234.db2.gz PMQKGCNSQCKETN-STQMWFEESA-N 2 2 280.372 0.302 20 0 CCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001363659766 929462237 /nfs/dbraw/zinc/46/22/37/929462237.db2.gz PMQKGCNSQCKETN-STQMWFEESA-N 2 2 280.372 0.302 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCC(O)(c2ncnn2C)CC1 ZINC001363815243 929604852 /nfs/dbraw/zinc/60/48/52/929604852.db2.gz OWAMIXALGWPPAI-UHFFFAOYSA-N 2 2 290.371 0.075 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NCC1C[NH+](Cc2ccnn2C)C1 ZINC001443654475 929667353 /nfs/dbraw/zinc/66/73/53/929667353.db2.gz RENQUWAWCYZFAZ-UHFFFAOYSA-N 2 2 293.415 0.308 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NCC1C[NH+](Cc2ccnn2C)C1 ZINC001443654475 929667360 /nfs/dbraw/zinc/66/73/60/929667360.db2.gz RENQUWAWCYZFAZ-UHFFFAOYSA-N 2 2 293.415 0.308 20 0 CCADLP C[N@H+](CCCF)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001372027353 929706921 /nfs/dbraw/zinc/70/69/21/929706921.db2.gz HBMMHRHDPPRORX-LBPRGKRZSA-N 2 2 282.363 0.853 20 0 CCADLP C[N@@H+](CCCF)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001372027353 929706929 /nfs/dbraw/zinc/70/69/29/929706929.db2.gz HBMMHRHDPPRORX-LBPRGKRZSA-N 2 2 282.363 0.853 20 0 CCADLP CCN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@H+](CCCO)C1 ZINC001443884662 929729101 /nfs/dbraw/zinc/72/91/01/929729101.db2.gz PITILDWBLAQGJS-ZDUSSCGKSA-N 2 2 294.399 0.268 20 0 CCADLP CCN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@@H+](CCCO)C1 ZINC001443884662 929729111 /nfs/dbraw/zinc/72/91/11/929729111.db2.gz PITILDWBLAQGJS-ZDUSSCGKSA-N 2 2 294.399 0.268 20 0 CCADLP C[C@@H](C[NH2+]C[C@H]1CCOC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001444688043 929933103 /nfs/dbraw/zinc/93/31/03/929933103.db2.gz IHISTLPLZPXJSE-NWDGAFQWSA-N 2 2 280.372 0.425 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CCO ZINC001444896699 929968138 /nfs/dbraw/zinc/96/81/38/929968138.db2.gz SWQPWNHRFVKCFY-JSGCOSHPSA-N 2 2 294.399 0.168 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[C@@H]1CC[N@H+](CCCO)C1 ZINC001373240524 930112776 /nfs/dbraw/zinc/11/27/76/930112776.db2.gz UQQWGYCQJIGRKH-CYBMUJFWSA-N 2 2 294.399 0.173 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[C@@H]1CC[N@@H+](CCCO)C1 ZINC001373240524 930112781 /nfs/dbraw/zinc/11/27/81/930112781.db2.gz UQQWGYCQJIGRKH-CYBMUJFWSA-N 2 2 294.399 0.173 20 0 CCADLP C[C@H](C[NH2+]Cc1cnsn1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001445471148 930141852 /nfs/dbraw/zinc/14/18/52/930141852.db2.gz BSESTDQDLMZPRM-GHMZBOCLSA-N 2 2 297.428 0.474 20 0 CCADLP C[C@H](C[NH2+]Cc1cnsn1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001445471148 930141870 /nfs/dbraw/zinc/14/18/70/930141870.db2.gz BSESTDQDLMZPRM-GHMZBOCLSA-N 2 2 297.428 0.474 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001445578114 930173385 /nfs/dbraw/zinc/17/33/85/930173385.db2.gz PSLCSNYZLPRQPW-NWDGAFQWSA-N 2 2 282.388 0.482 20 0 CCADLP Cc1ncc(C[NH2+]C[C@H](C)NC(=O)Cn2cc[nH+]c2)cn1 ZINC001445664120 930199671 /nfs/dbraw/zinc/19/96/71/930199671.db2.gz GOKQZNGBGJNTAL-NSHDSACASA-N 2 2 288.355 0.276 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC1C[NH+](CCCF)C1 ZINC001373482729 930211582 /nfs/dbraw/zinc/21/15/82/930211582.db2.gz USLLITBTDMSPME-GFCCVEGCSA-N 2 2 287.379 0.115 20 0 CCADLP C[C@H](C[N@@H+](C)C[C@H](C)O)NC(=O)CCc1c[nH+]cn1C ZINC001445845031 930265601 /nfs/dbraw/zinc/26/56/01/930265601.db2.gz OKQBMZCNXTYKGY-NEPJUHHUSA-N 2 2 282.388 0.170 20 0 CCADLP C[C@H](C[N@H+](C)C[C@H](C)O)NC(=O)CCc1c[nH+]cn1C ZINC001445845031 930265603 /nfs/dbraw/zinc/26/56/03/930265603.db2.gz OKQBMZCNXTYKGY-NEPJUHHUSA-N 2 2 282.388 0.170 20 0 CCADLP CC[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2cnn(C)c2)C1)[NH+](C)C ZINC001373644808 930280551 /nfs/dbraw/zinc/28/05/51/930280551.db2.gz AODNPWRUJJKKMH-ZIAGYGMSSA-N 2 2 293.415 0.451 20 0 CCADLP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C1)[NH+](C)C ZINC001373644808 930280561 /nfs/dbraw/zinc/28/05/61/930280561.db2.gz AODNPWRUJJKKMH-ZIAGYGMSSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@@H](c1cnccn1)[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001446088259 930331643 /nfs/dbraw/zinc/33/16/43/930331643.db2.gz WYKLVJNMLACZAL-QWHCGFSZSA-N 2 2 291.399 0.680 20 0 CCADLP C[C@@H](c1cnccn1)[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001446088259 930331648 /nfs/dbraw/zinc/33/16/48/930331648.db2.gz WYKLVJNMLACZAL-QWHCGFSZSA-N 2 2 291.399 0.680 20 0 CCADLP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]C[C@@H]1CCCOC1 ZINC001373809350 930351124 /nfs/dbraw/zinc/35/11/24/930351124.db2.gz GQNIOJGHYBUCON-STQMWFEESA-N 2 2 294.399 0.863 20 0 CCADLP C[C@@]1(NC(=O)CCCn2cc[nH+]c2)CC[N@H+](CCCO)C1 ZINC001446554258 930434860 /nfs/dbraw/zinc/43/48/60/930434860.db2.gz PEYBVSKLESAJOY-OAHLLOKOSA-N 2 2 294.399 0.626 20 0 CCADLP C[C@@]1(NC(=O)CCCn2cc[nH+]c2)CC[N@@H+](CCCO)C1 ZINC001446554258 930434869 /nfs/dbraw/zinc/43/48/69/930434869.db2.gz PEYBVSKLESAJOY-OAHLLOKOSA-N 2 2 294.399 0.626 20 0 CCADLP CC(C)[N@@H+]1CC[C@](O)(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001446785776 930486349 /nfs/dbraw/zinc/48/63/49/930486349.db2.gz VFHGJLPBEFGKOQ-DOMZBBRYSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)[N@H+]1CC[C@](O)(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001446785776 930486354 /nfs/dbraw/zinc/48/63/54/930486354.db2.gz VFHGJLPBEFGKOQ-DOMZBBRYSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)[N@@H+]1CC[C@](O)(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001446785776 930486356 /nfs/dbraw/zinc/48/63/56/930486356.db2.gz VFHGJLPBEFGKOQ-DOMZBBRYSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)[N@H+]1CC[C@](O)(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001446785776 930486360 /nfs/dbraw/zinc/48/63/60/930486360.db2.gz VFHGJLPBEFGKOQ-DOMZBBRYSA-N 2 2 294.399 0.550 20 0 CCADLP Cc1oncc1C[N@@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001374553797 930553728 /nfs/dbraw/zinc/55/37/28/930553728.db2.gz ATZUYZFOSYCRFR-UHFFFAOYSA-N 2 2 294.399 0.969 20 0 CCADLP Cc1oncc1C[N@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001374553797 930553735 /nfs/dbraw/zinc/55/37/35/930553735.db2.gz ATZUYZFOSYCRFR-UHFFFAOYSA-N 2 2 294.399 0.969 20 0 CCADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]CCn1cccn1 ZINC001447918478 930755232 /nfs/dbraw/zinc/75/52/32/930755232.db2.gz YUSHOHVDTHCFAH-NWDGAFQWSA-N 2 2 290.371 0.332 20 0 CCADLP CC[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccn(C)n1)[NH+](C)C ZINC001448074210 930807138 /nfs/dbraw/zinc/80/71/38/930807138.db2.gz ZTUNSSVSEKWZPN-GXTWGEPZSA-N 2 2 295.431 0.697 20 0 CCADLP CC[C@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccn(C)n1)[NH+](C)C ZINC001448074210 930807143 /nfs/dbraw/zinc/80/71/43/930807143.db2.gz ZTUNSSVSEKWZPN-GXTWGEPZSA-N 2 2 295.431 0.697 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H](NC(=O)CCc1c[nH+]cn1C)C1CC1 ZINC001375270222 930833008 /nfs/dbraw/zinc/83/30/08/930833008.db2.gz KIMCPWRMLKPHRO-BXUZGUMPSA-N 2 2 294.399 0.218 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@H](C)[N@H+](C)CC(N)=O)[NH+]1CCCC1 ZINC001448147169 930834246 /nfs/dbraw/zinc/83/42/46/930834246.db2.gz VZQGRZSVTJPJMT-GXTWGEPZSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@H](C)[N@@H+](C)CC(N)=O)[NH+]1CCCC1 ZINC001448147169 930834251 /nfs/dbraw/zinc/83/42/51/930834251.db2.gz VZQGRZSVTJPJMT-GXTWGEPZSA-N 2 2 298.431 0.029 20 0 CCADLP CO[C@H](C)C[NH2+]C1(CNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001375537445 930910125 /nfs/dbraw/zinc/91/01/25/930910125.db2.gz WIGSQUXAEUIOMR-GFCCVEGCSA-N 2 2 294.399 0.626 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CC[C@@H]([NH2+]CCO)C1 ZINC001375576482 930924450 /nfs/dbraw/zinc/92/44/50/930924450.db2.gz NHGVCSKKBJHDEK-NWDGAFQWSA-N 2 2 280.372 0.209 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CC[C@@H]([NH2+]CCO)C1 ZINC001375576482 930924453 /nfs/dbraw/zinc/92/44/53/930924453.db2.gz NHGVCSKKBJHDEK-NWDGAFQWSA-N 2 2 280.372 0.209 20 0 CCADLP C[C@@H](O)CCC[NH+]1CC(N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001375697148 930952439 /nfs/dbraw/zinc/95/24/39/930952439.db2.gz SFUXVQPSKHGNSE-CYBMUJFWSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@@]1(CNC(=O)CCn2cc[nH+]c2)CCC[N@H+](CCO)C1 ZINC001375947533 931005735 /nfs/dbraw/zinc/00/57/35/931005735.db2.gz CKHKARHLEGSTOI-HNNXBMFYSA-N 2 2 294.399 0.484 20 0 CCADLP C[C@@]1(CNC(=O)CCn2cc[nH+]c2)CCC[N@@H+](CCO)C1 ZINC001375947533 931005743 /nfs/dbraw/zinc/00/57/43/931005743.db2.gz CKHKARHLEGSTOI-HNNXBMFYSA-N 2 2 294.399 0.484 20 0 CCADLP C[C@H]1C[C@H]([NH2+]Cc2cnsn2)CN1C(=O)CC[NH+](C)C ZINC001449035160 931055214 /nfs/dbraw/zinc/05/52/14/931055214.db2.gz UWODGJPZFBAMJF-QWRGUYRKSA-N 2 2 297.428 0.569 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@]1(O)CC[N@H+](CC2CCC2)C1 ZINC001376115167 931055143 /nfs/dbraw/zinc/05/51/43/931055143.db2.gz CQAVDKVCGNSFCP-OAHLLOKOSA-N 2 2 292.383 0.236 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@]1(O)CC[N@@H+](CC2CCC2)C1 ZINC001376115167 931055150 /nfs/dbraw/zinc/05/51/50/931055150.db2.gz CQAVDKVCGNSFCP-OAHLLOKOSA-N 2 2 292.383 0.236 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001376126897 931059362 /nfs/dbraw/zinc/05/93/62/931059362.db2.gz BFKGLBBQUVOWPU-YPMHNXCESA-N 2 2 280.372 0.568 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001376126897 931059374 /nfs/dbraw/zinc/05/93/74/931059374.db2.gz BFKGLBBQUVOWPU-YPMHNXCESA-N 2 2 280.372 0.568 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001376126897 931059384 /nfs/dbraw/zinc/05/93/84/931059384.db2.gz BFKGLBBQUVOWPU-YPMHNXCESA-N 2 2 280.372 0.568 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001376126897 931059389 /nfs/dbraw/zinc/05/93/89/931059389.db2.gz BFKGLBBQUVOWPU-YPMHNXCESA-N 2 2 280.372 0.568 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001449962619 931211482 /nfs/dbraw/zinc/21/14/82/931211482.db2.gz DDXDLSAJWYVPNO-GHMZBOCLSA-N 2 2 250.346 0.512 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1nncs1)[NH+](C)C ZINC001376812473 931286837 /nfs/dbraw/zinc/28/68/37/931286837.db2.gz PHUDYBKFRHOREI-ZJUUUORDSA-N 2 2 285.417 0.473 20 0 CCADLP CO[C@H](C[NH2+][C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1)C1CCC1 ZINC001376833608 931298863 /nfs/dbraw/zinc/29/88/63/931298863.db2.gz JWDPFUNTYRZFRP-WCQYABFASA-N 2 2 294.399 0.862 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000451223453 300225845 /nfs/dbraw/zinc/22/58/45/300225845.db2.gz STDGGGMCWFCRQN-IGQOVBAYSA-N 2 2 253.390 0.389 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000451223453 300225850 /nfs/dbraw/zinc/22/58/50/300225850.db2.gz STDGGGMCWFCRQN-IGQOVBAYSA-N 2 2 253.390 0.389 20 0 CCADLP COC(=O)[C@]1(OC)CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000599561247 361739943 /nfs/dbraw/zinc/73/99/43/361739943.db2.gz AEECYTMWGROZDW-ZDUSSCGKSA-N 2 2 267.329 0.537 20 0 CCADLP COC(=O)[C@]1(OC)CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000599561247 361739946 /nfs/dbraw/zinc/73/99/46/361739946.db2.gz AEECYTMWGROZDW-ZDUSSCGKSA-N 2 2 267.329 0.537 20 0 CCADLP Cc1nnc(CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)[nH]1 ZINC000617502081 365657342 /nfs/dbraw/zinc/65/73/42/365657342.db2.gz BJJCKURCSYDGSJ-NSHDSACASA-N 2 2 296.419 0.044 20 0 CCADLP Cc1nnc(CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)[nH]1 ZINC000617502081 365657345 /nfs/dbraw/zinc/65/73/45/365657345.db2.gz BJJCKURCSYDGSJ-NSHDSACASA-N 2 2 296.419 0.044 20 0 CCADLP Cc1nc(CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n[nH]1 ZINC000617502081 365657353 /nfs/dbraw/zinc/65/73/53/365657353.db2.gz BJJCKURCSYDGSJ-NSHDSACASA-N 2 2 296.419 0.044 20 0 CCADLP Cc1nc(CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)n[nH]1 ZINC000617502081 365657358 /nfs/dbraw/zinc/65/73/58/365657358.db2.gz BJJCKURCSYDGSJ-NSHDSACASA-N 2 2 296.419 0.044 20 0 CCADLP CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CC[N@H+](C)C1 ZINC000617553231 365673543 /nfs/dbraw/zinc/67/35/43/365673543.db2.gz CWSSZFVNZWUYHB-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CC[N@@H+](C)C1 ZINC000617553231 365673548 /nfs/dbraw/zinc/67/35/48/365673548.db2.gz CWSSZFVNZWUYHB-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP CCN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@H+](C)C1 ZINC000617552267 365674404 /nfs/dbraw/zinc/67/44/04/365674404.db2.gz KREQQNKMIZSKBM-NSHDSACASA-N 2 2 250.346 0.515 20 0 CCADLP CCN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@@H+](C)C1 ZINC000617552267 365674408 /nfs/dbraw/zinc/67/44/08/365674408.db2.gz KREQQNKMIZSKBM-NSHDSACASA-N 2 2 250.346 0.515 20 0 CCADLP C[N@H+](CC(=O)NC[C@H]1CCCO1)CC(C)(C)C[NH3+] ZINC000093874165 349555262 /nfs/dbraw/zinc/55/52/62/349555262.db2.gz XRWUBPMRISWWBO-LLVKDONJSA-N 2 2 257.378 0.198 20 0 CCADLP C[N@@H+](CC(=O)NC[C@H]1CCCO1)CC(C)(C)C[NH3+] ZINC000093874165 349555264 /nfs/dbraw/zinc/55/52/64/349555264.db2.gz XRWUBPMRISWWBO-LLVKDONJSA-N 2 2 257.378 0.198 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)NC(=O)NC2CCCC2)CC[C@@H]1[NH3+] ZINC000094341872 349567013 /nfs/dbraw/zinc/56/70/13/349567013.db2.gz VAUPZKJAKKDTPT-PWSUYJOCSA-N 2 2 282.388 0.424 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CCCC2)CC[C@@H]1[NH3+] ZINC000094341872 349567017 /nfs/dbraw/zinc/56/70/17/349567017.db2.gz VAUPZKJAKKDTPT-PWSUYJOCSA-N 2 2 282.388 0.424 20 0 CCADLP COC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000094341455 349567296 /nfs/dbraw/zinc/56/72/96/349567296.db2.gz YDPVXRRFYZCDMJ-AAEUAGOBSA-N 2 2 297.399 0.067 20 0 CCADLP COC(=O)C1CCN(C(=O)C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000094341455 349567298 /nfs/dbraw/zinc/56/72/98/349567298.db2.gz YDPVXRRFYZCDMJ-AAEUAGOBSA-N 2 2 297.399 0.067 20 0 CCADLP Cc1[nH+]ccn1CCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC000337780744 214258469 /nfs/dbraw/zinc/25/84/69/214258469.db2.gz AYEOBTRDQDHLRD-UHFFFAOYSA-N 2 2 275.360 0.675 20 0 CCADLP COC(=O)C(C)(C)CC[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000600217058 361893975 /nfs/dbraw/zinc/89/39/75/361893975.db2.gz FAEXLDUABVNHMX-NSHDSACASA-N 2 2 258.362 0.232 20 0 CCADLP COC(=O)C(C)(C)CC[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000600217058 361893981 /nfs/dbraw/zinc/89/39/81/361893981.db2.gz FAEXLDUABVNHMX-NSHDSACASA-N 2 2 258.362 0.232 20 0 CCADLP COCC[N@@H+]1CC[C@H]([NH2+]CCCOC(F)F)C1 ZINC000337879835 214297508 /nfs/dbraw/zinc/29/75/08/214297508.db2.gz XHRKSCYXBIFVSU-JTQLQIEISA-N 2 2 252.305 0.926 20 0 CCADLP COCC[N@H+]1CC[C@H]([NH2+]CCCOC(F)F)C1 ZINC000337879835 214297509 /nfs/dbraw/zinc/29/75/09/214297509.db2.gz XHRKSCYXBIFVSU-JTQLQIEISA-N 2 2 252.305 0.926 20 0 CCADLP C[C@@H](C(=O)NCCC[NH+]1CCCCC1)[NH+]1CCN(C)CC1 ZINC000338018589 214364744 /nfs/dbraw/zinc/36/47/44/214364744.db2.gz SFVOQESBHRJREI-HNNXBMFYSA-N 2 2 296.459 0.615 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)CCn1cc[nH+]c1 ZINC000338061184 214383980 /nfs/dbraw/zinc/38/39/80/214383980.db2.gz WQKYVZGVFGVDOY-UHFFFAOYSA-N 2 2 261.329 0.985 20 0 CCADLP [NH3+]CCC[NH+]1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000098148603 349653921 /nfs/dbraw/zinc/65/39/21/349653921.db2.gz FXUFBNGVNWVNAO-UHFFFAOYSA-N 2 2 291.395 0.924 20 0 CCADLP [NH3+]CCCN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000098148603 349653923 /nfs/dbraw/zinc/65/39/23/349653923.db2.gz FXUFBNGVNWVNAO-UHFFFAOYSA-N 2 2 291.395 0.924 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449657303 529463902 /nfs/dbraw/zinc/46/39/02/529463902.db2.gz ONRFLJFNEARMDA-DCAQKATOSA-N 2 2 275.343 0.736 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493117236 529507695 /nfs/dbraw/zinc/50/76/95/529507695.db2.gz KVLIYMKFQWZXCY-SCOBNMCVSA-N 2 2 278.356 0.338 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000418719649 529558155 /nfs/dbraw/zinc/55/81/55/529558155.db2.gz IHUDCOOCWWGZLE-NWDGAFQWSA-N 2 2 272.393 0.086 20 0 CCADLP CC[C@@H](C(N)=O)[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000104720398 349717506 /nfs/dbraw/zinc/71/75/06/349717506.db2.gz CIFJTRREVLLGHI-LBPRGKRZSA-N 2 2 278.356 0.476 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+](CCCNC(C)=O)CC2)c1 ZINC000104720019 349717760 /nfs/dbraw/zinc/71/77/60/349717760.db2.gz NCDANOXMAMYAQX-UHFFFAOYSA-N 2 2 292.383 0.738 20 0 CCADLP Cc1ccc(CNC(=O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000107576774 349738585 /nfs/dbraw/zinc/73/85/85/349738585.db2.gz YLEHONWVANMINP-ZIAGYGMSSA-N 2 2 291.370 0.902 20 0 CCADLP CN(C)C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000112200747 349779207 /nfs/dbraw/zinc/77/92/07/349779207.db2.gz DIWDDBIZQYPSPP-ZDUSSCGKSA-N 2 2 269.389 0.119 20 0 CCADLP CN(C)C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000112200747 349779209 /nfs/dbraw/zinc/77/92/09/349779209.db2.gz DIWDDBIZQYPSPP-ZDUSSCGKSA-N 2 2 269.389 0.119 20 0 CCADLP Cc1nn(C)c(C)c1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000112839518 349794430 /nfs/dbraw/zinc/79/44/30/349794430.db2.gz XETJMXFRRHNHEO-KGLIPLIRSA-N 2 2 278.400 0.990 20 0 CCADLP Cc1nn(C)c(C)c1C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000112839518 349794431 /nfs/dbraw/zinc/79/44/31/349794431.db2.gz XETJMXFRRHNHEO-KGLIPLIRSA-N 2 2 278.400 0.990 20 0 CCADLP COC(=O)c1coc(C[NH2+]CC2([NH3+])CCOCC2)c1 ZINC000600679001 362032300 /nfs/dbraw/zinc/03/23/00/362032300.db2.gz XAFWXNSSNZKWTO-UHFFFAOYSA-N 2 2 268.313 0.664 20 0 CCADLP COC(=O)c1cnc(C[NH2+][C@](C)(C[NH3+])C2CC2)cn1 ZINC000600707457 362039220 /nfs/dbraw/zinc/03/92/20/362039220.db2.gz YUINRBINVDEJOK-CYBMUJFWSA-N 2 2 264.329 0.480 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600750907 362054101 /nfs/dbraw/zinc/05/41/01/362054101.db2.gz XIYYSFKCGMNISW-NZVBXONLSA-N 2 2 294.399 0.295 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600750907 362054105 /nfs/dbraw/zinc/05/41/05/362054105.db2.gz XIYYSFKCGMNISW-NZVBXONLSA-N 2 2 294.399 0.295 20 0 CCADLP Cc1[nH+]cn(CC(=O)NCC(C)(C)[NH+]2CCOCC2)c1C ZINC000112980469 349797493 /nfs/dbraw/zinc/79/74/93/349797493.db2.gz OXAKTMVCQWLXFF-UHFFFAOYSA-N 2 2 294.399 0.727 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Cn1cc[nH+]c1 ZINC000617722895 365728666 /nfs/dbraw/zinc/72/86/66/365728666.db2.gz GPRHQIPCFMVYHQ-NEPJUHHUSA-N 2 2 266.345 0.109 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Cn1cc[nH+]c1 ZINC000617722895 365728671 /nfs/dbraw/zinc/72/86/71/365728671.db2.gz GPRHQIPCFMVYHQ-NEPJUHHUSA-N 2 2 266.345 0.109 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)Cn2cc[nH+]c2)[C@@H](C)CO1 ZINC000617722897 365729749 /nfs/dbraw/zinc/72/97/49/365729749.db2.gz GPRHQIPCFMVYHQ-RYUDHWBXSA-N 2 2 266.345 0.109 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)Cn2cc[nH+]c2)[C@@H](C)CO1 ZINC000617722897 365729757 /nfs/dbraw/zinc/72/97/57/365729757.db2.gz GPRHQIPCFMVYHQ-RYUDHWBXSA-N 2 2 266.345 0.109 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000617726350 365736020 /nfs/dbraw/zinc/73/60/20/365736020.db2.gz VVDOZDTUCXZAFG-XGUBFFRZSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000617726350 365736027 /nfs/dbraw/zinc/73/60/27/365736027.db2.gz VVDOZDTUCXZAFG-XGUBFFRZSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[NH+]1CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000617726350 365736031 /nfs/dbraw/zinc/73/60/31/365736031.db2.gz VVDOZDTUCXZAFG-XGUBFFRZSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[NH+]1CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000617726350 365736035 /nfs/dbraw/zinc/73/60/35/365736035.db2.gz VVDOZDTUCXZAFG-XGUBFFRZSA-N 2 2 297.443 0.942 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000600997160 362122918 /nfs/dbraw/zinc/12/29/18/362122918.db2.gz VOARTBKWOVIYHO-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000600997160 362122922 /nfs/dbraw/zinc/12/29/22/362122922.db2.gz VOARTBKWOVIYHO-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000600997160 362122923 /nfs/dbraw/zinc/12/29/23/362122923.db2.gz VOARTBKWOVIYHO-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+]1CCCC[C@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000600997160 362122926 /nfs/dbraw/zinc/12/29/26/362122926.db2.gz VOARTBKWOVIYHO-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cn2c1 ZINC000573428432 334936924 /nfs/dbraw/zinc/93/69/24/334936924.db2.gz GQOZOMJDCOIWHU-IMRBUKKESA-N 2 2 285.351 0.660 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601331573 362228334 /nfs/dbraw/zinc/22/83/34/362228334.db2.gz FGYFDRGZYGFZEZ-YGRLFVJLSA-N 2 2 282.388 0.342 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)CCn1cc[nH+]c1 ZINC000617734035 365745796 /nfs/dbraw/zinc/74/57/96/365745796.db2.gz ZKKZNJOGCAPBSW-OLZOCXBDSA-N 2 2 280.372 0.499 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)CCn1cc[nH+]c1 ZINC000617734035 365745801 /nfs/dbraw/zinc/74/58/01/365745801.db2.gz ZKKZNJOGCAPBSW-OLZOCXBDSA-N 2 2 280.372 0.499 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000113512264 349814794 /nfs/dbraw/zinc/81/47/94/349814794.db2.gz PBZZJMQTOABHOM-LLVKDONJSA-N 2 2 282.388 0.200 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000113512264 349814796 /nfs/dbraw/zinc/81/47/96/349814796.db2.gz PBZZJMQTOABHOM-LLVKDONJSA-N 2 2 282.388 0.200 20 0 CCADLP C[C@@H]1C(=O)CC[C@@H]1CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764186 365769084 /nfs/dbraw/zinc/76/90/84/365769084.db2.gz MAUHFSNNCZVBAW-UONOGXRCSA-N 2 2 297.443 0.991 20 0 CCADLP C[C@@H]1C(=O)CC[C@@H]1CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764186 365769088 /nfs/dbraw/zinc/76/90/88/365769088.db2.gz MAUHFSNNCZVBAW-UONOGXRCSA-N 2 2 297.443 0.991 20 0 CCADLP COC1(C(=O)NCC[N@H+](C)CCC[NH+](C)C)CCCC1 ZINC000617764782 365769609 /nfs/dbraw/zinc/76/96/09/365769609.db2.gz GFWOGYYAPSRMAL-UHFFFAOYSA-N 2 2 285.432 0.945 20 0 CCADLP COC1(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCCC1 ZINC000617764782 365769616 /nfs/dbraw/zinc/76/96/16/365769616.db2.gz GFWOGYYAPSRMAL-UHFFFAOYSA-N 2 2 285.432 0.945 20 0 CCADLP Cc1ncc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)[nH]1 ZINC000617766940 365773707 /nfs/dbraw/zinc/77/37/07/365773707.db2.gz ZSHCLVXHYXSNJK-UHFFFAOYSA-N 2 2 267.377 0.331 20 0 CCADLP Cc1ncc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)[nH]1 ZINC000617766940 365773710 /nfs/dbraw/zinc/77/37/10/365773710.db2.gz ZSHCLVXHYXSNJK-UHFFFAOYSA-N 2 2 267.377 0.331 20 0 CCADLP CN(C)c1[nH+]cc(C[NH+]2CCC(C)(O)CC2)n1C ZINC000425331287 529807800 /nfs/dbraw/zinc/80/78/00/529807800.db2.gz CJOLETMPONMPBI-UHFFFAOYSA-N 2 2 252.362 0.833 20 0 CCADLP CN(C)c1[nH+]cc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)n1C ZINC000425336486 529808278 /nfs/dbraw/zinc/80/82/78/529808278.db2.gz LGVLEQRZAPJPOE-TXEJJXNPSA-N 2 2 263.389 0.480 20 0 CCADLP CN(C)c1[nH+]cc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)n1C ZINC000425336486 529808280 /nfs/dbraw/zinc/80/82/80/529808280.db2.gz LGVLEQRZAPJPOE-TXEJJXNPSA-N 2 2 263.389 0.480 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](O)COCC2CC2)n1C ZINC000424558017 529809821 /nfs/dbraw/zinc/80/98/21/529809821.db2.gz IJSSTKLRCLDGPP-ZDUSSCGKSA-N 2 2 282.388 0.363 20 0 CCADLP Cn1c(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)nc2ccccc21 ZINC000358158323 529810035 /nfs/dbraw/zinc/81/00/35/529810035.db2.gz AJGVPYDYOOASCV-HNNXBMFYSA-N 2 2 274.368 0.730 20 0 CCADLP Cn1c(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)nc2ccccc21 ZINC000358158323 529810036 /nfs/dbraw/zinc/81/00/36/529810036.db2.gz AJGVPYDYOOASCV-HNNXBMFYSA-N 2 2 274.368 0.730 20 0 CCADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC000425048969 529822679 /nfs/dbraw/zinc/82/26/79/529822679.db2.gz DEHKFCRBPYPMAL-VNHYZAJKSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC000425048969 529822680 /nfs/dbraw/zinc/82/26/80/529822680.db2.gz DEHKFCRBPYPMAL-VNHYZAJKSA-N 2 2 288.395 0.998 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000117022328 349879668 /nfs/dbraw/zinc/87/96/68/349879668.db2.gz LZJVDRRHYZOQFF-OLZOCXBDSA-N 2 2 295.387 0.244 20 0 CCADLP CN(C)c1cc[nH+]cc1C[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000279880881 282308275 /nfs/dbraw/zinc/30/82/75/282308275.db2.gz UPSXVVRLBSFPQY-UHFFFAOYSA-N 2 2 283.397 0.814 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)CCC1CC[NH2+]CC1 ZINC000423743293 529910624 /nfs/dbraw/zinc/91/06/24/529910624.db2.gz JXDKCYQAAUXLRF-UHFFFAOYSA-N 2 2 283.416 0.557 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000425962759 529911401 /nfs/dbraw/zinc/91/14/01/529911401.db2.gz ZNIRAAKQNMNABB-AWEZNQCLSA-N 2 2 281.400 0.404 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000425962759 529911402 /nfs/dbraw/zinc/91/14/02/529911402.db2.gz ZNIRAAKQNMNABB-AWEZNQCLSA-N 2 2 281.400 0.404 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000418387311 529983091 /nfs/dbraw/zinc/98/30/91/529983091.db2.gz MFFUTHSAXFIBOO-ZJUUUORDSA-N 2 2 278.347 0.386 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000418402335 529981647 /nfs/dbraw/zinc/98/16/47/529981647.db2.gz ZCLLBYLJOUVNGD-CHWSQXEVSA-N 2 2 286.420 0.204 20 0 CCADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000449128429 530042397 /nfs/dbraw/zinc/04/23/97/530042397.db2.gz SGFLYMDOUWCEMA-KGLIPLIRSA-N 2 2 297.443 0.990 20 0 CCADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000449128429 530042398 /nfs/dbraw/zinc/04/23/98/530042398.db2.gz SGFLYMDOUWCEMA-KGLIPLIRSA-N 2 2 297.443 0.990 20 0 CCADLP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655241845 412517941 /nfs/dbraw/zinc/51/79/41/412517941.db2.gz SKTIXSXALDGZTO-ZQDZILKHSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655241845 412517942 /nfs/dbraw/zinc/51/79/42/412517942.db2.gz SKTIXSXALDGZTO-ZQDZILKHSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@@H](CNC(=O)C[NH+]1CC[C@H](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655241845 412517945 /nfs/dbraw/zinc/51/79/45/412517945.db2.gz SKTIXSXALDGZTO-ZQDZILKHSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@@H](CNC(=O)C[NH+]1CC[C@H](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655241845 412517947 /nfs/dbraw/zinc/51/79/47/412517947.db2.gz SKTIXSXALDGZTO-ZQDZILKHSA-N 2 2 297.443 0.942 20 0 CCADLP COCC[NH+]1CCC([NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)CC1 ZINC000358209379 232064416 /nfs/dbraw/zinc/06/44/16/232064416.db2.gz WTDOEOYPBLSDSG-BPLDGKMQSA-N 2 2 295.427 0.696 20 0 CCADLP Cc1cc(NC[C@@]2(O)CC[N@H+](C)C2)nc(C(C)C)[nH+]1 ZINC000358330815 232082603 /nfs/dbraw/zinc/08/26/03/232082603.db2.gz FYJPXFBZZUYGMJ-AWEZNQCLSA-N 2 2 264.373 0.809 20 0 CCADLP Cc1cc(NC[C@@]2(O)CC[N@@H+](C)C2)nc(C(C)C)[nH+]1 ZINC000358330815 232082605 /nfs/dbraw/zinc/08/26/05/232082605.db2.gz FYJPXFBZZUYGMJ-AWEZNQCLSA-N 2 2 264.373 0.809 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](C)[NH+](C)C)C[C@H]1C ZINC000602127861 362508387 /nfs/dbraw/zinc/50/83/87/362508387.db2.gz AJGUANREUJFFMR-NEPJUHHUSA-N 2 2 285.388 0.032 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H](C)[NH+](C)C)C[C@H]1C ZINC000602127861 362508392 /nfs/dbraw/zinc/50/83/92/362508392.db2.gz AJGUANREUJFFMR-NEPJUHHUSA-N 2 2 285.388 0.032 20 0 CCADLP C[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)C1CC1 ZINC000361484981 232138925 /nfs/dbraw/zinc/13/89/25/232138925.db2.gz LNJOYXCSCFVRNL-AWEZNQCLSA-N 2 2 269.433 0.765 20 0 CCADLP Cc1ccc(CCC[NH2+]CC(=O)N2CC[NH+](C)CC2)cn1 ZINC000684372941 545657761 /nfs/dbraw/zinc/65/77/61/545657761.db2.gz SOHDQZLAZLBHIR-UHFFFAOYSA-N 2 2 290.411 0.686 20 0 CCADLP [NH3+]CCCNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000573786307 334965728 /nfs/dbraw/zinc/96/57/28/334965728.db2.gz 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ZINC000262446614 137043747 /nfs/dbraw/zinc/04/37/47/137043747.db2.gz HJMKADIFXLTQFW-QGZVFWFLSA-N 2 2 299.374 0.968 20 0 CCADLP O=C1c2ccccc2C(=O)N1CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262446614 137043748 /nfs/dbraw/zinc/04/37/48/137043748.db2.gz HJMKADIFXLTQFW-QGZVFWFLSA-N 2 2 299.374 0.968 20 0 CCADLP C[C@H](NC(=O)C[NH2+]CC1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000262668799 137049946 /nfs/dbraw/zinc/04/99/46/137049946.db2.gz LYWPBCCHFUKNDI-RYUDHWBXSA-N 2 2 269.389 0.211 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000262674199 137049963 /nfs/dbraw/zinc/04/99/63/137049963.db2.gz QKBKTAXELGOVFP-PWSUYJOCSA-N 2 2 262.357 0.891 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262917276 137055296 /nfs/dbraw/zinc/05/52/96/137055296.db2.gz GKMWFZNFXVGOON-BDAKNGLRSA-N 2 2 258.272 0.385 20 0 CCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263065392 137057502 /nfs/dbraw/zinc/05/75/02/137057502.db2.gz VWAWCDDESNDURP-WDEREUQCSA-N 2 2 275.343 0.974 20 0 CCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263065379 137057639 /nfs/dbraw/zinc/05/76/39/137057639.db2.gz VWAWCDDESNDURP-GHMZBOCLSA-N 2 2 275.343 0.974 20 0 CCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263081358 137058140 /nfs/dbraw/zinc/05/81/40/137058140.db2.gz XOXVAALPNGGVDU-GHMZBOCLSA-N 2 2 275.343 0.926 20 0 CCADLP CC(C)CNC(=O)[C@@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261730214 137017407 /nfs/dbraw/zinc/01/74/07/137017407.db2.gz KZVGGXIKCMUTSU-KGLIPLIRSA-N 2 2 282.432 0.127 20 0 CCADLP CCn1nccc1C[N@H+](CCO)C[C@@H]1CCC[NH2+]C1 ZINC000261755466 137018000 /nfs/dbraw/zinc/01/80/00/137018000.db2.gz CLYHTRCTJAUQDS-CYBMUJFWSA-N 2 2 266.389 0.697 20 0 CCADLP CCn1nccc1C[N@@H+](CCO)C[C@@H]1CCC[NH2+]C1 ZINC000261755466 137018001 /nfs/dbraw/zinc/01/80/01/137018001.db2.gz CLYHTRCTJAUQDS-CYBMUJFWSA-N 2 2 266.389 0.697 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261785334 137020065 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CN(CC1C[NH+](C)C1)C(=O)CCc1c[nH+]cn1C ZINC000618190915 365922989 /nfs/dbraw/zinc/92/29/89/365922989.db2.gz MBLICWDUWCQYLG-UHFFFAOYSA-N 2 2 250.346 0.373 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CC12CC[NH2+]CC2)[NH+]1CCN(C)CC1 ZINC000261980882 137027501 /nfs/dbraw/zinc/02/75/01/137027501.db2.gz WFUAHFJDUBPIGP-KGLIPLIRSA-N 2 2 294.443 0.128 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CC12CC[NH2+]CC2)[C@H](C)[NH+]1CCOCC1 ZINC000262000232 137027788 /nfs/dbraw/zinc/02/77/88/137027788.db2.gz ZVVOCSLPYYDWRT-IHRRRGAJSA-N 2 2 295.427 0.602 20 0 CCADLP C[C@H](NC(=O)[C@@H](C)C1C[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000262302677 137036432 /nfs/dbraw/zinc/03/64/32/137036432.db2.gz BRXDHUFOWXNJHZ-SRVKXCTJSA-N 2 2 269.389 0.067 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC(CC(N)=O)CC1)C1CC1 ZINC000311882656 137076082 /nfs/dbraw/zinc/07/60/82/137076082.db2.gz NHCGUOZGVNMZDW-ZDUSSCGKSA-N 2 2 269.389 0.029 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(CC(N)=O)CC1)C1CC1 ZINC000311882656 137076083 /nfs/dbraw/zinc/07/60/83/137076083.db2.gz NHCGUOZGVNMZDW-ZDUSSCGKSA-N 2 2 269.389 0.029 20 0 CCADLP CCOC(=O)C1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000312347443 137077119 /nfs/dbraw/zinc/07/71/19/137077119.db2.gz JQCWEAFROMRAFI-CQSZACIVSA-N 2 2 284.400 0.717 20 0 CCADLP CCOC(=O)C1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000312347443 137077120 /nfs/dbraw/zinc/07/71/20/137077120.db2.gz JQCWEAFROMRAFI-CQSZACIVSA-N 2 2 284.400 0.717 20 0 CCADLP C[C@H](NC(=O)C[N@H+](C)C[C@H](O)C[NH3+])c1ccccc1Cl ZINC000313611397 137078343 /nfs/dbraw/zinc/07/83/43/137078343.db2.gz XHULNJFISDWWQU-WDEREUQCSA-N 2 2 299.802 0.769 20 0 CCADLP C[C@H](NC(=O)C[N@@H+](C)C[C@H](O)C[NH3+])c1ccccc1Cl ZINC000313611397 137078344 /nfs/dbraw/zinc/07/83/44/137078344.db2.gz XHULNJFISDWWQU-WDEREUQCSA-N 2 2 299.802 0.769 20 0 CCADLP CCCCc1noc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)n1 ZINC000314093009 137078897 /nfs/dbraw/zinc/07/88/97/137078897.db2.gz HYQSUKVZTRMFRK-ZDUSSCGKSA-N 2 2 293.415 0.892 20 0 CCADLP CCCCc1noc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)n1 ZINC000314093009 137078898 /nfs/dbraw/zinc/07/88/98/137078898.db2.gz HYQSUKVZTRMFRK-ZDUSSCGKSA-N 2 2 293.415 0.892 20 0 CCADLP CC(C)CCNC(=O)[C@@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000314019532 137079049 /nfs/dbraw/zinc/07/90/49/137079049.db2.gz WOGMURYXFJULRK-CABCVRRESA-N 2 2 296.459 0.517 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000342946194 137105164 /nfs/dbraw/zinc/10/51/64/137105164.db2.gz KUKKBYJPEWXDDV-STQMWFEESA-N 2 2 264.373 0.929 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000342946194 137105165 /nfs/dbraw/zinc/10/51/65/137105165.db2.gz KUKKBYJPEWXDDV-STQMWFEESA-N 2 2 264.373 0.929 20 0 CCADLP COC[C@@H]([NH3+])C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000263234927 137061212 /nfs/dbraw/zinc/06/12/12/137061212.db2.gz JDRHCYRCYSAVQM-CYBMUJFWSA-N 2 2 299.415 0.111 20 0 CCADLP [NH3+]CC1CCC(CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000343647524 137147174 /nfs/dbraw/zinc/14/71/74/137147174.db2.gz ULJJBLKWQUGPDV-VQXHTEKXSA-N 2 2 275.343 0.865 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NCc2[nH+]ccn2C)CCC[N@@H+]1C ZINC000343763151 137155418 /nfs/dbraw/zinc/15/54/18/137155418.db2.gz TVRJHCLRNUCIET-GHMZBOCLSA-N 2 2 265.361 0.702 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NCc2[nH+]ccn2C)CCC[N@H+]1C ZINC000343763151 137155419 /nfs/dbraw/zinc/15/54/19/137155419.db2.gz TVRJHCLRNUCIET-GHMZBOCLSA-N 2 2 265.361 0.702 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CN(C)CC[NH+]2C)CCC[N@@H+]1C ZINC000343840077 137160676 /nfs/dbraw/zinc/16/06/76/137160676.db2.gz REVSMLLPWFZRFN-MCIONIFRSA-N 2 2 297.447 0.014 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CN(C)CC[NH+]2C)CCC[N@H+]1C ZINC000343840077 137160677 /nfs/dbraw/zinc/16/06/77/137160677.db2.gz REVSMLLPWFZRFN-MCIONIFRSA-N 2 2 297.447 0.014 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)CCC[NH+]1C ZINC000343840077 137160678 /nfs/dbraw/zinc/16/06/78/137160678.db2.gz REVSMLLPWFZRFN-MCIONIFRSA-N 2 2 297.447 0.014 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)CCC[NH+]1C ZINC000343840077 137160679 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O=C(Nc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CSC[NH2+]1 ZINC000037027611 348181360 /nfs/dbraw/zinc/18/13/60/348181360.db2.gz SVPIBZZLXIOQEJ-JTQLQIEISA-N 2 2 275.337 0.868 20 0 CCADLP CCCC[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000037619773 348193632 /nfs/dbraw/zinc/19/36/32/348193632.db2.gz VGNFPZMCZSQZKG-NWDGAFQWSA-N 2 2 257.378 0.341 20 0 CCADLP CC[C@H]([NH3+])C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000040770588 348241841 /nfs/dbraw/zinc/24/18/41/348241841.db2.gz LYBKZEFPGBARFB-QWHCGFSZSA-N 2 2 270.421 0.112 20 0 CCADLP CC(C)C[C@H](CNC(=O)C[NH2+]C1CC1)[NH+]1CCOCC1 ZINC000040824670 348243677 /nfs/dbraw/zinc/24/36/77/348243677.db2.gz PBWPUGWPDZBHKB-CQSZACIVSA-N 2 2 283.416 0.602 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000345180666 137238670 /nfs/dbraw/zinc/23/86/70/137238670.db2.gz SBRULGMJFPBMMS-KKUMJFAQSA-N 3 2 269.433 0.763 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000345180666 137238671 /nfs/dbraw/zinc/23/86/71/137238671.db2.gz SBRULGMJFPBMMS-KKUMJFAQSA-N 3 2 269.433 0.763 20 0 CCADLP C[C@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCC[NH+]1CCC1 ZINC000345897377 137258760 /nfs/dbraw/zinc/25/87/60/137258760.db2.gz ZZEWQMTYKIBBDG-UONOGXRCSA-N 2 2 288.395 0.976 20 0 CCADLP CC[C@@H](C(=O)N1CC[NH+](CCOC)CC1)[NH+](CC)CC ZINC000345680246 137245568 /nfs/dbraw/zinc/24/55/68/137245568.db2.gz ZBXNFRKQLWSUPD-AWEZNQCLSA-N 2 2 285.432 0.897 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000345811391 137254195 /nfs/dbraw/zinc/25/41/95/137254195.db2.gz ATTKBOJYKGYTBC-LLVKDONJSA-N 2 2 286.401 0.157 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000345811391 137254196 /nfs/dbraw/zinc/25/41/96/137254196.db2.gz ATTKBOJYKGYTBC-LLVKDONJSA-N 2 2 286.401 0.157 20 0 CCADLP C[C@@H](C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)[NH+]1CCOCC1 ZINC000346333204 137279338 /nfs/dbraw/zinc/27/93/38/137279338.db2.gz WWAUCXVKEHUXNY-ZFWWWQNUSA-N 2 2 281.400 0.261 20 0 CCADLP C[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)[NH+]1CCOCC1 ZINC000346333204 137279339 /nfs/dbraw/zinc/27/93/39/137279339.db2.gz WWAUCXVKEHUXNY-ZFWWWQNUSA-N 2 2 281.400 0.261 20 0 CCADLP O=C(NCC[NH+]1CCCCC1)NCC[NH+]1CCOCC1 ZINC000042951109 348301991 /nfs/dbraw/zinc/30/19/91/348301991.db2.gz UEDRKYVBTOLWQC-UHFFFAOYSA-N 2 2 284.404 0.104 20 0 CCADLP O=C(NCCNc1cc[nH+]cc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000536530457 290853733 /nfs/dbraw/zinc/85/37/33/290853733.db2.gz UMBWKMGMDBZCJB-LBPRGKRZSA-N 2 2 285.351 0.491 20 0 CCADLP CC[NH+](CC)C[C@H](C)NC(=O)NCC[NH+]1CCOCC1 ZINC000339440899 215174052 /nfs/dbraw/zinc/17/40/52/215174052.db2.gz LIRWTDRKZNNCAC-ZDUSSCGKSA-N 2 2 286.420 0.348 20 0 CCADLP COC(=O)[C@]1(C)C[C@@H](OC)C[N@@H+]1CCn1cc[nH+]c1C ZINC000602934252 362895509 /nfs/dbraw/zinc/89/55/09/362895509.db2.gz FWMFORAVPMHCFK-OCCSQVGLSA-N 2 2 281.356 0.844 20 0 CCADLP COC(=O)[C@]1(C)C[C@@H](OC)C[N@H+]1CCn1cc[nH+]c1C ZINC000602934252 362895515 /nfs/dbraw/zinc/89/55/15/362895515.db2.gz FWMFORAVPMHCFK-OCCSQVGLSA-N 2 2 281.356 0.844 20 0 CCADLP CN(C(=O)CCn1cc[nH+]c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000347001870 137315311 /nfs/dbraw/zinc/31/53/11/137315311.db2.gz BCWGINOFIZIKRG-CYBMUJFWSA-N 2 2 262.357 0.968 20 0 CCADLP CN(C(=O)CCn1cc[nH+]c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000347001870 137315312 /nfs/dbraw/zinc/31/53/12/137315312.db2.gz BCWGINOFIZIKRG-CYBMUJFWSA-N 2 2 262.357 0.968 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cnn(C(C)(C)C)c1 ZINC000347134847 137322151 /nfs/dbraw/zinc/32/21/51/137322151.db2.gz SOUATGKIYXHWNU-UHFFFAOYSA-N 2 2 293.415 0.502 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cnn(C(C)(C)C)c1 ZINC000347134847 137322152 /nfs/dbraw/zinc/32/21/52/137322152.db2.gz SOUATGKIYXHWNU-UHFFFAOYSA-N 2 2 293.415 0.502 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(C(=O)OC)[nH]2)C1 ZINC000347197700 137324693 /nfs/dbraw/zinc/32/46/93/137324693.db2.gz HZHFGGHTIUCIRL-SNVBAGLBSA-N 2 2 251.330 0.843 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(C(=O)OC)[nH]2)C1 ZINC000347197700 137324694 /nfs/dbraw/zinc/32/46/94/137324694.db2.gz HZHFGGHTIUCIRL-SNVBAGLBSA-N 2 2 251.330 0.843 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C2CC[NH+](C)CC2)CCO1 ZINC000531295782 358454530 /nfs/dbraw/zinc/45/45/30/358454530.db2.gz YHCMRKGPBGVKOK-GFCCVEGCSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2CC[NH+](C)CC2)CCO1 ZINC000531295782 358454535 /nfs/dbraw/zinc/45/45/35/358454535.db2.gz YHCMRKGPBGVKOK-GFCCVEGCSA-N 2 2 269.389 0.165 20 0 CCADLP CCOC[C@H](O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347212619 137325950 /nfs/dbraw/zinc/32/59/50/137325950.db2.gz RDJMMRXBKOPZFN-TZMCWYRMSA-N 2 2 266.341 0.932 20 0 CCADLP CCOC[C@H](O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347212619 137325951 /nfs/dbraw/zinc/32/59/51/137325951.db2.gz RDJMMRXBKOPZFN-TZMCWYRMSA-N 2 2 266.341 0.932 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000347728013 137352917 /nfs/dbraw/zinc/35/29/17/137352917.db2.gz CHIBIQDZFBTXNJ-CQSZACIVSA-N 2 2 278.400 0.617 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000347728013 137352918 /nfs/dbraw/zinc/35/29/18/137352918.db2.gz CHIBIQDZFBTXNJ-CQSZACIVSA-N 2 2 278.400 0.617 20 0 CCADLP CC[NH+](CC)CCOCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000348171362 137375380 /nfs/dbraw/zinc/37/53/80/137375380.db2.gz DZFYXFDRLJYKCD-UHFFFAOYSA-N 2 2 268.361 0.806 20 0 CCADLP Cc1cccn2cc(CNC(=O)CCOC3C[NH2+]C3)[nH+]c12 ZINC000349010408 137383767 /nfs/dbraw/zinc/38/37/67/137383767.db2.gz XUGZMNRKSNIBCT-UHFFFAOYSA-N 2 2 288.351 0.637 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051761902 348493978 /nfs/dbraw/zinc/49/39/78/348493978.db2.gz DBVVNXXUTLHVAB-UHFFFAOYSA-N 2 2 257.378 0.117 20 0 CCADLP C[NH2+][C@@H](C)C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000054076177 348541516 /nfs/dbraw/zinc/54/15/16/348541516.db2.gz RWIFAUDAECFCIZ-STQMWFEESA-N 2 2 271.405 0.457 20 0 CCADLP C[C@@H]1CCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000061757380 348659184 /nfs/dbraw/zinc/65/91/84/348659184.db2.gz BLVBFJSNKODUFR-CQSZACIVSA-N 2 2 297.443 0.945 20 0 CCADLP C[C@@H]1CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000061757380 348659187 /nfs/dbraw/zinc/65/91/87/348659187.db2.gz BLVBFJSNKODUFR-CQSZACIVSA-N 2 2 297.443 0.945 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCn1nc2ccccn2c1=O ZINC000063195105 348682707 /nfs/dbraw/zinc/68/27/07/348682707.db2.gz QPQNSHDBMUDJNL-QWHCGFSZSA-N 2 2 289.383 0.698 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCn1nc2ccccn2c1=O ZINC000063195105 348682710 /nfs/dbraw/zinc/68/27/10/348682710.db2.gz QPQNSHDBMUDJNL-QWHCGFSZSA-N 2 2 289.383 0.698 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC000069501123 348849330 /nfs/dbraw/zinc/84/93/30/348849330.db2.gz HNHBGMVNCVVWHK-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP COCC[N@H+]1CCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC000069501123 348849334 /nfs/dbraw/zinc/84/93/34/348849334.db2.gz HNHBGMVNCVVWHK-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP O=C1CCCN1CC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069856641 348863397 /nfs/dbraw/zinc/86/33/97/348863397.db2.gz HWCCNDGOENQFFP-HNNXBMFYSA-N 2 2 295.427 0.653 20 0 CCADLP O=C1CCCN1CC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069856641 348863398 /nfs/dbraw/zinc/86/33/98/348863398.db2.gz HWCCNDGOENQFFP-HNNXBMFYSA-N 2 2 295.427 0.653 20 0 CCADLP c1cnn(CC[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000069858826 348863433 /nfs/dbraw/zinc/86/34/33/348863433.db2.gz MUCOYBIDXAPHNG-OAHLLOKOSA-N 2 2 278.400 0.927 20 0 CCADLP c1cnn(CC[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000069858826 348863434 /nfs/dbraw/zinc/86/34/34/348863434.db2.gz MUCOYBIDXAPHNG-OAHLLOKOSA-N 2 2 278.400 0.927 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070174478 348876454 /nfs/dbraw/zinc/87/64/54/348876454.db2.gz MTNFSGVNVNIBMZ-VXGBXAGGSA-N 2 2 284.404 0.527 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070174478 348876456 /nfs/dbraw/zinc/87/64/56/348876456.db2.gz MTNFSGVNVNIBMZ-VXGBXAGGSA-N 2 2 284.404 0.527 20 0 CCADLP CC[NH+](CC)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000074177244 348977801 /nfs/dbraw/zinc/97/78/01/348977801.db2.gz PXKLZYTUOCTTIC-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP CC[C@@H](O)C[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000075644814 349044034 /nfs/dbraw/zinc/04/40/34/349044034.db2.gz XIDGNUJJKBAAJQ-GXTWGEPZSA-N 2 2 256.390 0.942 20 0 CCADLP CC[C@@H](O)C[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000075644814 349044039 /nfs/dbraw/zinc/04/40/39/349044039.db2.gz XIDGNUJJKBAAJQ-GXTWGEPZSA-N 2 2 256.390 0.942 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC000076195524 349073884 /nfs/dbraw/zinc/07/38/84/349073884.db2.gz WEOSXYCMUNDHPT-UHFFFAOYSA-N 2 2 279.409 0.880 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC000076195524 349073886 /nfs/dbraw/zinc/07/38/86/349073886.db2.gz WEOSXYCMUNDHPT-UHFFFAOYSA-N 2 2 279.409 0.880 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)C[C@@H]2CCCO2)CC1 ZINC000076299957 349078956 /nfs/dbraw/zinc/07/89/56/349078956.db2.gz MVKDATFNMOATTD-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@@H]2CCCO2)CC1 ZINC000076299957 349078959 /nfs/dbraw/zinc/07/89/59/349078959.db2.gz MVKDATFNMOATTD-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000075958381 349059197 /nfs/dbraw/zinc/05/91/97/349059197.db2.gz SEGIQTNJNUGDRI-LBPRGKRZSA-N 2 2 252.362 0.309 20 0 CCADLP C[C@@H](CNc1cc[nH+]c(N(C)C)n1)[NH+]1CCOCC1 ZINC000077488261 349111344 /nfs/dbraw/zinc/11/13/44/349111344.db2.gz NIMBHDDWRCEWQL-NSHDSACASA-N 2 2 265.361 0.675 20 0 CCADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)N1CCOCC1 ZINC000078719208 349151338 /nfs/dbraw/zinc/15/13/38/349151338.db2.gz KAZRPYKORLGSNN-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)N1CCOCC1 ZINC000078719208 349151340 /nfs/dbraw/zinc/15/13/40/349151340.db2.gz KAZRPYKORLGSNN-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC(=O)N1CCOCC1 ZINC000078719208 349151343 /nfs/dbraw/zinc/15/13/43/349151343.db2.gz KAZRPYKORLGSNN-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC(=O)N1CCOCC1 ZINC000078719208 349151346 /nfs/dbraw/zinc/15/13/46/349151346.db2.gz KAZRPYKORLGSNN-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP Cc1csc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)n1 ZINC000080313616 349208489 /nfs/dbraw/zinc/20/84/89/349208489.db2.gz SFSCQGPIYSVSOP-LLVKDONJSA-N 2 2 282.413 0.876 20 0 CCADLP CC(C)(CNC(=O)[C@@H]1CCCCC[NH2+]1)[NH+]1CCOCC1 ZINC000080998432 349238912 /nfs/dbraw/zinc/23/89/12/349238912.db2.gz XIQLLBMUOBZDBT-ZDUSSCGKSA-N 2 2 283.416 0.746 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC000684483097 545681588 /nfs/dbraw/zinc/68/15/88/545681588.db2.gz YBAGKOBMDLGNIR-ZIAGYGMSSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC000684483097 545681594 /nfs/dbraw/zinc/68/15/94/545681594.db2.gz YBAGKOBMDLGNIR-ZIAGYGMSSA-N 2 2 294.399 0.577 20 0 CCADLP Cc1nc(N2CCC[N@@H+](CC(=O)N(C)C)CC2)cc[nH+]1 ZINC000080947161 349234750 /nfs/dbraw/zinc/23/47/50/349234750.db2.gz IJYDHMITAJRJCW-UHFFFAOYSA-N 2 2 277.372 0.385 20 0 CCADLP Cc1nc(N2CCC[N@H+](CC(=O)N(C)C)CC2)cc[nH+]1 ZINC000080947161 349234751 /nfs/dbraw/zinc/23/47/51/349234751.db2.gz IJYDHMITAJRJCW-UHFFFAOYSA-N 2 2 277.372 0.385 20 0 CCADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)[nH]1 ZINC000080959238 349234832 /nfs/dbraw/zinc/23/48/32/349234832.db2.gz JHXHTSIKSYZAMS-CYBMUJFWSA-N 2 2 264.373 0.921 20 0 CCADLP c1c[nH+]c([C@@H]2CCC[N@H+](CCN3CCOCC3)C2)[nH]1 ZINC000080959238 349234834 /nfs/dbraw/zinc/23/48/34/349234834.db2.gz JHXHTSIKSYZAMS-CYBMUJFWSA-N 2 2 264.373 0.921 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000081338460 349258549 /nfs/dbraw/zinc/25/85/49/349258549.db2.gz OCTMXDKYDOMXJX-HUUCEWRRSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000081338460 349258553 /nfs/dbraw/zinc/25/85/53/349258553.db2.gz OCTMXDKYDOMXJX-HUUCEWRRSA-N 2 2 295.427 0.794 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000084695599 349324871 /nfs/dbraw/zinc/32/48/71/349324871.db2.gz QPIURGLLLAIZHH-GFCCVEGCSA-N 2 2 280.372 0.742 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000084695599 349324873 /nfs/dbraw/zinc/32/48/73/349324873.db2.gz QPIURGLLLAIZHH-GFCCVEGCSA-N 2 2 280.372 0.742 20 0 CCADLP CCNC(=O)CC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926371 349412955 /nfs/dbraw/zinc/41/29/55/349412955.db2.gz CSURYDTYYGYJTK-UHFFFAOYSA-N 2 2 265.361 0.068 20 0 CCADLP CC[C@@](C)(O)C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000123612466 350078147 /nfs/dbraw/zinc/07/81/47/350078147.db2.gz JBEQEMZGYMPFAW-OAHLLOKOSA-N 2 2 293.415 0.826 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@H]2COc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000124329622 350095456 /nfs/dbraw/zinc/09/54/56/350095456.db2.gz HTTZBXOJNWAIEZ-ZIAGYGMSSA-N 2 2 289.379 0.339 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]2COc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000124329622 350095458 /nfs/dbraw/zinc/09/54/58/350095458.db2.gz HTTZBXOJNWAIEZ-ZIAGYGMSSA-N 2 2 289.379 0.339 20 0 CCADLP COc1cccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000124353277 350096185 /nfs/dbraw/zinc/09/61/85/350096185.db2.gz WDXCMRQEUIMBBF-GFCCVEGCSA-N 2 2 278.356 0.802 20 0 CCADLP COc1cccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000124353277 350096187 /nfs/dbraw/zinc/09/61/87/350096187.db2.gz WDXCMRQEUIMBBF-GFCCVEGCSA-N 2 2 278.356 0.802 20 0 CCADLP C[N@@H+]1CCN(C(=O)c2nccc3ccccc32)[C@@H](C[NH3+])C1 ZINC000124344122 350096334 /nfs/dbraw/zinc/09/63/34/350096334.db2.gz ISDGVHDWNSSIGX-ZDUSSCGKSA-N 2 2 284.363 0.950 20 0 CCADLP C[N@H+]1CCN(C(=O)c2nccc3ccccc32)[C@@H](C[NH3+])C1 ZINC000124344122 350096336 /nfs/dbraw/zinc/09/63/36/350096336.db2.gz ISDGVHDWNSSIGX-ZDUSSCGKSA-N 2 2 284.363 0.950 20 0 CCADLP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000125489527 350123188 /nfs/dbraw/zinc/12/31/88/350123188.db2.gz WBDOHDDWLTYXKI-LBPRGKRZSA-N 2 2 266.345 0.158 20 0 CCADLP C[NH+]1CCN(C(=O)c2csc(CC[NH3+])n2)CC1 ZINC000090945260 180069625 /nfs/dbraw/zinc/06/96/25/180069625.db2.gz GFOYUGAQISYDBI-UHFFFAOYSA-N 2 2 254.359 0.032 20 0 CCADLP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000127337493 350166620 /nfs/dbraw/zinc/16/66/20/350166620.db2.gz XGIFVZNVHKGZQT-KFWWJZLASA-N 3 2 268.449 0.695 20 0 CCADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000127337493 350166622 /nfs/dbraw/zinc/16/66/22/350166622.db2.gz XGIFVZNVHKGZQT-KFWWJZLASA-N 3 2 268.449 0.695 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000271307454 191064498 /nfs/dbraw/zinc/06/44/98/191064498.db2.gz QJWILYRUPHUMPZ-OLZOCXBDSA-N 2 2 262.357 0.998 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000271307454 191064499 /nfs/dbraw/zinc/06/44/99/191064499.db2.gz QJWILYRUPHUMPZ-OLZOCXBDSA-N 2 2 262.357 0.998 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)C[C@H](C)O1 ZINC000129013628 350203729 /nfs/dbraw/zinc/20/37/29/350203729.db2.gz LGIABZPNFQWKLX-NDBYEHHHSA-N 2 2 269.389 0.434 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)C[C@H](C)O1 ZINC000129013628 350203730 /nfs/dbraw/zinc/20/37/30/350203730.db2.gz LGIABZPNFQWKLX-NDBYEHHHSA-N 2 2 269.389 0.434 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NCCOc1ccccc1 ZINC000129088312 350205685 /nfs/dbraw/zinc/20/56/85/350205685.db2.gz SURNVNVNPNTXGV-ZIAGYGMSSA-N 2 2 291.395 0.993 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NCCOc1ccccc1 ZINC000129088312 350205687 /nfs/dbraw/zinc/20/56/87/350205687.db2.gz SURNVNVNPNTXGV-ZIAGYGMSSA-N 2 2 291.395 0.993 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCC(=O)OC(C)(C)C)C1 ZINC000130050888 350228466 /nfs/dbraw/zinc/22/84/66/350228466.db2.gz WCMYYLCEYDWNKF-GFCCVEGCSA-N 2 2 299.415 0.328 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCC(=O)OC(C)(C)C)C1 ZINC000130050888 350228470 /nfs/dbraw/zinc/22/84/70/350228470.db2.gz WCMYYLCEYDWNKF-GFCCVEGCSA-N 2 2 299.415 0.328 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000091669548 180224155 /nfs/dbraw/zinc/22/41/55/180224155.db2.gz TVLQRBWXLJKIIO-LSDHHAIUSA-N 2 2 289.379 0.148 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000091669548 180224157 /nfs/dbraw/zinc/22/41/57/180224157.db2.gz TVLQRBWXLJKIIO-LSDHHAIUSA-N 2 2 289.379 0.148 20 0 CCADLP NC(=O)CC[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000131052465 350259303 /nfs/dbraw/zinc/25/93/03/350259303.db2.gz KTJJJVBCXWTANI-LBPRGKRZSA-N 2 2 250.346 0.861 20 0 CCADLP NC(=O)CC[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000131052465 350259308 /nfs/dbraw/zinc/25/93/08/350259308.db2.gz KTJJJVBCXWTANI-LBPRGKRZSA-N 2 2 250.346 0.861 20 0 CCADLP CN(C)c1nc(N)nc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000130931823 350254478 /nfs/dbraw/zinc/25/44/78/350254478.db2.gz RUVXEQIGPCHPGL-AXFHLTTASA-N 2 2 291.403 0.079 20 0 CCADLP CN(C)c1nc(N)nc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000130931823 350254481 /nfs/dbraw/zinc/25/44/81/350254481.db2.gz RUVXEQIGPCHPGL-AXFHLTTASA-N 2 2 291.403 0.079 20 0 CCADLP CC[C@]1(C(=O)N2CC[NH+](CCOC)CC2)CCC[NH2+]1 ZINC000134557696 350368991 /nfs/dbraw/zinc/36/89/91/350368991.db2.gz ZQFCSTLTCGARTQ-CQSZACIVSA-N 2 2 269.389 0.309 20 0 CCADLP CC[C@@]1(C(=O)N2CC[N@H+](CCOC)[C@H](C)C2)CCC[NH2+]1 ZINC000134597898 350370292 /nfs/dbraw/zinc/37/02/92/350370292.db2.gz HRKIGBIBBPZSTA-HIFRSBDPSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@@]1(C(=O)N2CC[N@@H+](CCOC)[C@H](C)C2)CCC[NH2+]1 ZINC000134597898 350370293 /nfs/dbraw/zinc/37/02/93/350370293.db2.gz HRKIGBIBBPZSTA-HIFRSBDPSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000092134151 180331673 /nfs/dbraw/zinc/33/16/73/180331673.db2.gz RHKKWNILDSSAJU-ZDUSSCGKSA-N 2 2 276.384 0.581 20 0 CCADLP C(C[NH+]1CCOCC1)C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000135569282 350403395 /nfs/dbraw/zinc/40/33/95/350403395.db2.gz JWFBZWSXTWZNEI-KBPBESRZSA-N 2 2 286.441 0.915 20 0 CCADLP C(C[NH+]1CCOCC1)C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000135569282 350403396 /nfs/dbraw/zinc/40/33/96/350403396.db2.gz JWFBZWSXTWZNEI-KBPBESRZSA-N 2 2 286.441 0.915 20 0 CCADLP C[C@@H]1CC[N@H+](CCS(C)(=O)=O)C[C@@H]1n1cc[nH+]c1 ZINC000136083114 350414211 /nfs/dbraw/zinc/41/42/11/350414211.db2.gz HLTBESMAWWMEID-NEPJUHHUSA-N 2 2 271.386 0.811 20 0 CCADLP C[C@@H]1CC[N@@H+](CCS(C)(=O)=O)C[C@@H]1n1cc[nH+]c1 ZINC000136083114 350414213 /nfs/dbraw/zinc/41/42/13/350414213.db2.gz HLTBESMAWWMEID-NEPJUHHUSA-N 2 2 271.386 0.811 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152504955 350531363 /nfs/dbraw/zinc/53/13/63/350531363.db2.gz ZJWMMPRJJDRGNP-CYBMUJFWSA-N 2 2 298.431 0.886 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152504955 350531368 /nfs/dbraw/zinc/53/13/68/350531368.db2.gz ZJWMMPRJJDRGNP-CYBMUJFWSA-N 2 2 298.431 0.886 20 0 CCADLP CCCCNC(=O)NC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152504955 350531372 /nfs/dbraw/zinc/53/13/72/350531372.db2.gz ZJWMMPRJJDRGNP-CYBMUJFWSA-N 2 2 298.431 0.886 20 0 CCADLP CCCCNC(=O)NC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152504955 350531375 /nfs/dbraw/zinc/53/13/75/350531375.db2.gz ZJWMMPRJJDRGNP-CYBMUJFWSA-N 2 2 298.431 0.886 20 0 CCADLP CN(Cc1ccccc1)C(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107574232 186179884 /nfs/dbraw/zinc/17/98/84/186179884.db2.gz ILHYTILKWYVGSU-GASCZTMLSA-N 2 2 273.380 0.796 20 0 CCADLP CN(Cc1ccccc1)C(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107574232 186179885 /nfs/dbraw/zinc/17/98/85/186179885.db2.gz ILHYTILKWYVGSU-GASCZTMLSA-N 2 2 273.380 0.796 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC1(CO)COC1 ZINC000152181924 350522394 /nfs/dbraw/zinc/52/23/94/350522394.db2.gz GJTOTQBUGQHJQG-OLZOCXBDSA-N 2 2 254.374 0.554 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC1(CO)COC1 ZINC000152181924 350522398 /nfs/dbraw/zinc/52/23/98/350522398.db2.gz GJTOTQBUGQHJQG-OLZOCXBDSA-N 2 2 254.374 0.554 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1(CO)COC1 ZINC000152181924 350522400 /nfs/dbraw/zinc/52/24/00/350522400.db2.gz GJTOTQBUGQHJQG-OLZOCXBDSA-N 2 2 254.374 0.554 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1(CO)COC1 ZINC000152181924 350522403 /nfs/dbraw/zinc/52/24/03/350522403.db2.gz GJTOTQBUGQHJQG-OLZOCXBDSA-N 2 2 254.374 0.554 20 0 CCADLP C[N@H+](CC(=O)NCCCn1cc[nH+]c1)[C@@H]1CCSC1 ZINC000152984958 350548242 /nfs/dbraw/zinc/54/82/42/350548242.db2.gz PVAXNOAUBWGHLP-GFCCVEGCSA-N 2 2 282.413 0.827 20 0 CCADLP C[N@@H+](CC(=O)NCCCn1cc[nH+]c1)[C@@H]1CCSC1 ZINC000152984958 350548245 /nfs/dbraw/zinc/54/82/45/350548245.db2.gz PVAXNOAUBWGHLP-GFCCVEGCSA-N 2 2 282.413 0.827 20 0 CCADLP O=C(C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)N1CCOCC1 ZINC000157439558 350644495 /nfs/dbraw/zinc/64/44/95/350644495.db2.gz LWPAJVOVCSSNPV-HNNXBMFYSA-N 2 2 295.427 0.796 20 0 CCADLP O=C(C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)N1CCOCC1 ZINC000157439558 350644500 /nfs/dbraw/zinc/64/45/00/350644500.db2.gz LWPAJVOVCSSNPV-HNNXBMFYSA-N 2 2 295.427 0.796 20 0 CCADLP C[C@H]1C[N@@H+](C2CC[NH+](CC3(O)CCOCC3)CC2)CCO1 ZINC000156296998 350628460 /nfs/dbraw/zinc/62/84/60/350628460.db2.gz NSYIYTNNNXMKNO-AWEZNQCLSA-N 2 2 298.427 0.713 20 0 CCADLP C[C@H]1C[N@H+](C2CC[NH+](CC3(O)CCOCC3)CC2)CCO1 ZINC000156296998 350628461 /nfs/dbraw/zinc/62/84/61/350628461.db2.gz NSYIYTNNNXMKNO-AWEZNQCLSA-N 2 2 298.427 0.713 20 0 CCADLP [NH3+]CC[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000110826825 186327187 /nfs/dbraw/zinc/32/71/87/186327187.db2.gz FZTCOHUVIVYKLL-UHFFFAOYSA-N 2 2 265.332 0.979 20 0 CCADLP Cc1nn(C)c(C)c1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000110837680 186328353 /nfs/dbraw/zinc/32/83/53/186328353.db2.gz DFBDCNMOZQGZBF-CYBMUJFWSA-N 2 2 266.389 0.583 20 0 CCADLP C[NH2+]CCC[N@H+](C)[C@@H](C)C(=O)NCC(F)(F)F ZINC000159884593 350691615 /nfs/dbraw/zinc/69/16/15/350691615.db2.gz OUKZUUNDUVIYAU-QMMMGPOBSA-N 2 2 255.284 0.595 20 0 CCADLP C[NH2+]CCC[N@@H+](C)[C@@H](C)C(=O)NCC(F)(F)F ZINC000159884593 350691619 /nfs/dbraw/zinc/69/16/19/350691619.db2.gz OUKZUUNDUVIYAU-QMMMGPOBSA-N 2 2 255.284 0.595 20 0 CCADLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1CCS(=O)(=O)C1 ZINC000162276306 350740686 /nfs/dbraw/zinc/74/06/86/350740686.db2.gz RBUDHBXKXFPSMI-NSHDSACASA-N 2 2 257.359 0.392 20 0 CCADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CCS(=O)(=O)C1 ZINC000162276306 350740689 /nfs/dbraw/zinc/74/06/89/350740689.db2.gz RBUDHBXKXFPSMI-NSHDSACASA-N 2 2 257.359 0.392 20 0 CCADLP C[C@@H]1CC[C@@H](CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000162512998 350744720 /nfs/dbraw/zinc/74/47/20/350744720.db2.gz VSTLTFMTLPALDB-UPJWGTAASA-N 2 2 253.390 0.914 20 0 CCADLP C[C@@H]1CC[C@@H](CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000162512998 350744726 /nfs/dbraw/zinc/74/47/26/350744726.db2.gz VSTLTFMTLPALDB-UPJWGTAASA-N 2 2 253.390 0.914 20 0 CCADLP C[C@@H](CC(=O)NCC[NH+]1CCOCC1)C1CC[NH2+]CC1 ZINC000163419784 350765592 /nfs/dbraw/zinc/76/55/92/350765592.db2.gz CFNWENGLYHPOPZ-ZDUSSCGKSA-N 2 2 283.416 0.461 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000163972595 350774950 /nfs/dbraw/zinc/77/49/50/350774950.db2.gz VOJIFCXFEULMKL-GFCCVEGCSA-N 2 2 262.419 0.885 20 0 CCADLP CC(C)([NH3+])C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000165254174 350788430 /nfs/dbraw/zinc/78/84/30/350788430.db2.gz RKFMWVLSQCDTHH-UHFFFAOYSA-N 2 2 250.346 0.615 20 0 CCADLP O=C(C[C@H]1C[NH2+]CCO1)NCCCNc1cccc[nH+]1 ZINC000165240933 350788624 /nfs/dbraw/zinc/78/86/24/350788624.db2.gz PENZAINGPYOHSA-LBPRGKRZSA-N 2 2 278.356 0.378 20 0 CCADLP O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000165683922 350792484 /nfs/dbraw/zinc/79/24/84/350792484.db2.gz SJXZLIXXBJRGSF-UONOGXRCSA-N 2 2 281.400 0.452 20 0 CCADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)[C@@H]1CCC[NH2+]C1 ZINC000165680108 350792853 /nfs/dbraw/zinc/79/28/53/350792853.db2.gz JRHJSYHIZBTBEO-CYBMUJFWSA-N 2 2 285.351 0.883 20 0 CCADLP CC[C@H]([NH3+])C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000165975513 350794646 /nfs/dbraw/zinc/79/46/46/350794646.db2.gz UPUJJXMNPQLIKD-WCQYABFASA-N 2 2 287.429 0.048 20 0 CCADLP CC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000165937877 350794946 /nfs/dbraw/zinc/79/49/46/350794946.db2.gz BZEHBWAVYHFWGU-NSHDSACASA-N 2 2 267.398 0.960 20 0 CCADLP CC[C@H]([NH3+])C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000165937877 350794948 /nfs/dbraw/zinc/79/49/48/350794948.db2.gz BZEHBWAVYHFWGU-NSHDSACASA-N 2 2 267.398 0.960 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000167328216 350808557 /nfs/dbraw/zinc/80/85/57/350808557.db2.gz PIIWHDKBBVEXMI-MNOVXSKESA-N 2 2 257.403 0.640 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000167328216 350808560 /nfs/dbraw/zinc/80/85/60/350808560.db2.gz PIIWHDKBBVEXMI-MNOVXSKESA-N 2 2 257.403 0.640 20 0 CCADLP C[NH+](C)CC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000171356123 350903043 /nfs/dbraw/zinc/90/30/43/350903043.db2.gz OCUXUQRPHLRSAU-LBPRGKRZSA-N 2 2 297.424 0.799 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000171199745 350893281 /nfs/dbraw/zinc/89/32/81/350893281.db2.gz IFTIXEDVRRCZIR-HNNXBMFYSA-N 2 2 291.395 0.738 20 0 CCADLP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)NCC(C)C)CC1 ZINC000173643900 351048946 /nfs/dbraw/zinc/04/89/46/351048946.db2.gz AVKSLORTBJBECO-ZDUSSCGKSA-N 2 2 285.432 0.848 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000178762635 351244646 /nfs/dbraw/zinc/24/46/46/351244646.db2.gz HVIMBDHRQNAIPS-GFCCVEGCSA-N 2 2 269.389 0.356 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000178762635 351244648 /nfs/dbraw/zinc/24/46/48/351244648.db2.gz HVIMBDHRQNAIPS-GFCCVEGCSA-N 2 2 269.389 0.356 20 0 CCADLP O=C([C@@H]1CSC[NH2+]1)N1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000178828045 351247558 /nfs/dbraw/zinc/24/75/58/351247558.db2.gz CERWQJGMZBJMGK-CRWXNKLISA-N 2 2 295.452 0.982 20 0 CCADLP CCC(CC)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181044076 351300225 /nfs/dbraw/zinc/30/02/25/351300225.db2.gz LYFAIKBXHOJJCW-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000181032168 351300294 /nfs/dbraw/zinc/30/02/94/351300294.db2.gz RKZQNQCPPQDAAN-JSGCOSHPSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000186675991 351507810 /nfs/dbraw/zinc/50/78/10/351507810.db2.gz PDPYOPCAGRHXMA-WCQYABFASA-N 2 2 285.351 0.995 20 0 CCADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)[C@H]1C[NH2+]CCO1 ZINC000187168376 351531574 /nfs/dbraw/zinc/53/15/74/351531574.db2.gz JRXYIITZTJEZQG-CYBMUJFWSA-N 2 2 290.367 0.286 20 0 CCADLP COc1cc[nH+]cc1NC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000187936291 351564448 /nfs/dbraw/zinc/56/44/48/351564448.db2.gz JUCKGSGZKLIRLL-DTWKUNHWSA-N 2 2 251.286 0.406 20 0 CCADLP Nc1cc[nH+]cc1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000188257534 351582889 /nfs/dbraw/zinc/58/28/89/351582889.db2.gz JPPOFUMITJDZCT-GFCCVEGCSA-N 2 2 290.367 0.458 20 0 CCADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1c[nH]c[nH+]1 ZINC000188741018 351624102 /nfs/dbraw/zinc/62/41/02/351624102.db2.gz IXIJVEKJRWZSMF-NSHDSACASA-N 2 2 252.362 0.687 20 0 CCADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1c[nH]c[nH+]1 ZINC000188741018 351624106 /nfs/dbraw/zinc/62/41/06/351624106.db2.gz IXIJVEKJRWZSMF-NSHDSACASA-N 2 2 252.362 0.687 20 0 CCADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1c[nH+]c[nH]1 ZINC000188741018 351624112 /nfs/dbraw/zinc/62/41/12/351624112.db2.gz IXIJVEKJRWZSMF-NSHDSACASA-N 2 2 252.362 0.687 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+](CCO)[C@H](C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000189619310 351692717 /nfs/dbraw/zinc/69/27/17/351692717.db2.gz CCCYBASLQGNKSK-BARDWOONSA-N 2 2 297.443 0.773 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+](CCO)[C@H](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000189619310 351692718 /nfs/dbraw/zinc/69/27/18/351692718.db2.gz CCCYBASLQGNKSK-BARDWOONSA-N 2 2 297.443 0.773 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](CCO)[C@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000189619310 351692720 /nfs/dbraw/zinc/69/27/20/351692720.db2.gz CCCYBASLQGNKSK-BARDWOONSA-N 2 2 297.443 0.773 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(CC[NH+]2CCOC[C@@H]2C)C[C@H]1C ZINC000191482889 351760271 /nfs/dbraw/zinc/76/02/71/351760271.db2.gz TUUOMAMOZCLPSL-QLFBSQMISA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(CC[NH+]2CCOC[C@@H]2C)C[C@H]1C ZINC000191482889 351760273 /nfs/dbraw/zinc/76/02/73/351760273.db2.gz TUUOMAMOZCLPSL-QLFBSQMISA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(CC[N@@H+]2CCOC[C@@H]2C)C[C@H]1C ZINC000191482889 351760274 /nfs/dbraw/zinc/76/02/74/351760274.db2.gz TUUOMAMOZCLPSL-QLFBSQMISA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(CC[N@H+]2CCOC[C@@H]2C)C[C@H]1C ZINC000191482889 351760276 /nfs/dbraw/zinc/76/02/76/351760276.db2.gz TUUOMAMOZCLPSL-QLFBSQMISA-N 2 2 285.432 0.094 20 0 CCADLP CCN(C)c1ccc(C[NH2+]CC[N@H+](CC)CCO)cn1 ZINC000191612573 351766595 /nfs/dbraw/zinc/76/65/95/351766595.db2.gz IJYQALLXLVEPLD-UHFFFAOYSA-N 2 2 280.416 0.942 20 0 CCADLP CCN(C)c1ccc(C[NH2+]CC[N@@H+](CC)CCO)cn1 ZINC000191612573 351766601 /nfs/dbraw/zinc/76/66/01/351766601.db2.gz IJYQALLXLVEPLD-UHFFFAOYSA-N 2 2 280.416 0.942 20 0 CCADLP C[NH2+]CC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000193134794 351812373 /nfs/dbraw/zinc/81/23/73/351812373.db2.gz DHEMGDRKZIDKMF-UHFFFAOYSA-N 2 2 264.329 0.385 20 0 CCADLP CC[NH+](CC)[C@@H](C)CNC(=O)NCCn1cc[nH+]c1 ZINC000193206857 351816251 /nfs/dbraw/zinc/81/62/51/351816251.db2.gz OCEOGFADLZZKSQ-LBPRGKRZSA-N 2 2 267.377 0.913 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)CCN1C(=O)NC(C)(C)C1=O ZINC000124235057 187128357 /nfs/dbraw/zinc/12/83/57/187128357.db2.gz GHZDZHSXODPAFG-UHFFFAOYSA-N 2 2 293.371 0.535 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)CCN1C(=O)NC(C)(C)C1=O ZINC000124235057 187128358 /nfs/dbraw/zinc/12/83/58/187128358.db2.gz GHZDZHSXODPAFG-UHFFFAOYSA-N 2 2 293.371 0.535 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCc3ccccc3C2)[C@@H](C[NH3+])C1 ZINC000223563687 351987719 /nfs/dbraw/zinc/98/77/19/351987719.db2.gz MPDORLLMDFODOQ-CVEARBPZSA-N 2 2 287.407 0.893 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2CCc3ccccc3C2)[C@@H](C[NH3+])C1 ZINC000223563687 351987721 /nfs/dbraw/zinc/98/77/21/351987721.db2.gz MPDORLLMDFODOQ-CVEARBPZSA-N 2 2 287.407 0.893 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000227343008 352045039 /nfs/dbraw/zinc/04/50/39/352045039.db2.gz SJUBYPUBTPVPJF-AWEZNQCLSA-N 2 2 277.368 0.305 20 0 CCADLP CO[C@H](C[NH3+])C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000227374442 352048691 /nfs/dbraw/zinc/04/86/91/352048691.db2.gz XIJWDNDETZXYQW-CYBMUJFWSA-N 2 2 276.340 0.435 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)C(C)C ZINC000228547307 352076177 /nfs/dbraw/zinc/07/61/77/352076177.db2.gz MAEMYEWZQJHMKT-DSJMHWKBSA-N 2 2 295.427 0.775 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)C(C)C ZINC000228547307 352076179 /nfs/dbraw/zinc/07/61/79/352076179.db2.gz MAEMYEWZQJHMKT-DSJMHWKBSA-N 2 2 295.427 0.775 20 0 CCADLP C[N@@H+]1CCN(Cc2ccn(-c3ccccc3)n2)[C@@H](C[NH3+])C1 ZINC000226627171 352031332 /nfs/dbraw/zinc/03/13/32/352031332.db2.gz WUHBVJDJUACEKK-INIZCTEOSA-N 2 2 285.395 0.947 20 0 CCADLP C[N@H+]1CCN(Cc2ccn(-c3ccccc3)n2)[C@@H](C[NH3+])C1 ZINC000226627171 352031336 /nfs/dbraw/zinc/03/13/36/352031336.db2.gz WUHBVJDJUACEKK-INIZCTEOSA-N 2 2 285.395 0.947 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231671069 352131747 /nfs/dbraw/zinc/13/17/47/352131747.db2.gz BFDAGFGDCKJWKT-LBPRGKRZSA-N 2 2 284.404 0.542 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231671069 352131751 /nfs/dbraw/zinc/13/17/51/352131751.db2.gz BFDAGFGDCKJWKT-LBPRGKRZSA-N 2 2 284.404 0.542 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cccc2c1OCO2 ZINC000228726237 352082777 /nfs/dbraw/zinc/08/27/77/352082777.db2.gz KYLGLTQEPBZRHZ-CQSZACIVSA-N 2 2 266.341 0.818 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)NCCCn2cc[nH+]c2)CC[NH2+]1 ZINC000235379669 352183606 /nfs/dbraw/zinc/18/36/06/352183606.db2.gz SSCMVAXDLDBETD-NEPJUHHUSA-N 2 2 250.346 0.778 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000237050568 352239606 /nfs/dbraw/zinc/23/96/06/352239606.db2.gz OOZYBHHQLGLERC-GXTWGEPZSA-N 2 2 293.415 0.438 20 0 CCADLP CCc1nc(C)c(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)o1 ZINC000603431339 363130120 /nfs/dbraw/zinc/13/01/20/363130120.db2.gz WFDFYLZKUBCJHX-MNOVXSKESA-N 2 2 278.356 0.289 20 0 CCADLP CCc1nc(C)c(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)o1 ZINC000603431339 363130127 /nfs/dbraw/zinc/13/01/27/363130127.db2.gz WFDFYLZKUBCJHX-MNOVXSKESA-N 2 2 278.356 0.289 20 0 CCADLP C[C@H](CNC(=O)C[C@@H]1CSCC[NH2+]1)Cn1cc[nH+]c1 ZINC000237414390 352264110 /nfs/dbraw/zinc/26/41/10/352264110.db2.gz LSUHETOOAJMTNP-VXGBXAGGSA-N 2 2 282.413 0.731 20 0 CCADLP C[C@@](C[NH3+])(NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000655416100 412563117 /nfs/dbraw/zinc/56/31/17/412563117.db2.gz WMQGRRYZNUPWQQ-HZMBPMFUSA-N 2 2 262.357 0.689 20 0 CCADLP C[C@H]([C@H](C)NC(=O)NCC1([NH3+])CCC1)[NH+]1CCOCC1 ZINC000417517421 233965285 /nfs/dbraw/zinc/96/52/85/233965285.db2.gz IXUMFWHTGYCYJU-NWDGAFQWSA-N 2 2 284.404 0.276 20 0 CCADLP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2CSC[NH2+]2)C[C@H](C)O1 ZINC000237671031 352277929 /nfs/dbraw/zinc/27/79/29/352277929.db2.gz BLXLWKHCNKVJDZ-TUAOUCFPSA-N 2 2 287.429 0.264 20 0 CCADLP C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]2CSC[NH2+]2)C[C@H](C)O1 ZINC000237671031 352277933 /nfs/dbraw/zinc/27/79/33/352277933.db2.gz BLXLWKHCNKVJDZ-TUAOUCFPSA-N 2 2 287.429 0.264 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000237663361 352277966 /nfs/dbraw/zinc/27/79/66/352277966.db2.gz SLEYPWBDUPMJBB-HIFRSBDPSA-N 2 2 282.432 0.128 20 0 CCADLP NC(=O)c1cccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC000237736597 352280894 /nfs/dbraw/zinc/28/08/94/352280894.db2.gz SWVFOACCBJFUJR-AWEZNQCLSA-N 2 2 277.368 0.332 20 0 CCADLP C[C@@H]1CCN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604208706 363183069 /nfs/dbraw/zinc/18/30/69/363183069.db2.gz LKNPVHZRIBCVLE-OLZOCXBDSA-N 2 2 280.416 0.959 20 0 CCADLP C[C@@H]1CCN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604208706 363183074 /nfs/dbraw/zinc/18/30/74/363183074.db2.gz LKNPVHZRIBCVLE-OLZOCXBDSA-N 2 2 280.416 0.959 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246730224 352381301 /nfs/dbraw/zinc/38/13/01/352381301.db2.gz GDQVPSGIELKYDK-RWMBFGLXSA-N 2 2 296.415 0.637 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246730224 352381305 /nfs/dbraw/zinc/38/13/05/352381305.db2.gz GDQVPSGIELKYDK-RWMBFGLXSA-N 2 2 296.415 0.637 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246730224 352381307 /nfs/dbraw/zinc/38/13/07/352381307.db2.gz GDQVPSGIELKYDK-RWMBFGLXSA-N 2 2 296.415 0.637 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246730224 352381310 /nfs/dbraw/zinc/38/13/10/352381310.db2.gz GDQVPSGIELKYDK-RWMBFGLXSA-N 2 2 296.415 0.637 20 0 CCADLP [NH3+]CCNC(=O)NCCCCNc1cccc[nH+]1 ZINC000418306509 234062857 /nfs/dbraw/zinc/06/28/57/234062857.db2.gz RELDIRSTJNVCMM-UHFFFAOYSA-N 2 2 251.334 0.532 20 0 CCADLP CCOC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000247041039 352395485 /nfs/dbraw/zinc/39/54/85/352395485.db2.gz GPHAVIDMFXYOBL-GJZGRUSLSA-N 2 2 286.416 0.428 20 0 CCADLP CCOC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000247041039 352395489 /nfs/dbraw/zinc/39/54/89/352395489.db2.gz GPHAVIDMFXYOBL-GJZGRUSLSA-N 2 2 286.416 0.428 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)C[C@@H](C)O1 ZINC000247245923 352405905 /nfs/dbraw/zinc/40/59/05/352405905.db2.gz NHKISDLZGHPUCJ-MCIONIFRSA-N 2 2 283.416 0.506 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C[NH+](C)C)C2)C[C@@H](C)O1 ZINC000247245923 352405908 /nfs/dbraw/zinc/40/59/08/352405908.db2.gz NHKISDLZGHPUCJ-MCIONIFRSA-N 2 2 283.416 0.506 20 0 CCADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248662586 352452246 /nfs/dbraw/zinc/45/22/46/352452246.db2.gz YLTCBIKBOYYIRH-OCCSQVGLSA-N 2 2 276.384 0.709 20 0 CCADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248662586 352452248 /nfs/dbraw/zinc/45/22/48/352452248.db2.gz YLTCBIKBOYYIRH-OCCSQVGLSA-N 2 2 276.384 0.709 20 0 CCADLP C[C@H](C(N)=O)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248662586 352452249 /nfs/dbraw/zinc/45/22/49/352452249.db2.gz YLTCBIKBOYYIRH-OCCSQVGLSA-N 2 2 276.384 0.709 20 0 CCADLP C[C@H](C(N)=O)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248662586 352452251 /nfs/dbraw/zinc/45/22/51/352452251.db2.gz YLTCBIKBOYYIRH-OCCSQVGLSA-N 2 2 276.384 0.709 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH+]3CCC[C@H]3CO2)CC[N@@H+]1C ZINC000252214350 352513792 /nfs/dbraw/zinc/51/37/92/352513792.db2.gz YWABDVWNNWYWJR-APIJFGDWSA-N 3 2 267.417 0.922 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH+]3CCC[C@H]3CO2)CC[N@H+]1C ZINC000252214350 352513795 /nfs/dbraw/zinc/51/37/95/352513795.db2.gz YWABDVWNNWYWJR-APIJFGDWSA-N 3 2 267.417 0.922 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC[NH+]1C ZINC000252214350 352513796 /nfs/dbraw/zinc/51/37/96/352513796.db2.gz YWABDVWNNWYWJR-APIJFGDWSA-N 3 2 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CC(C)[C@H]1CN(C(=O)NCc2c[nH+]cn2C)CC[N@H+]1C ZINC000336399303 213257659 /nfs/dbraw/zinc/25/76/59/213257659.db2.gz WFQJDCIWJSPROH-CYBMUJFWSA-N 2 2 279.388 0.902 20 0 CCADLP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+]2CCCO[C@H](C[NH3+])C2)C1 ZINC000313338348 354213382 /nfs/dbraw/zinc/21/33/82/354213382.db2.gz BLIFFFRUSTURRG-MGPQQGTHSA-N 2 2 283.416 0.541 20 0 CCADLP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+]2CCCO[C@H](C[NH3+])C2)C1 ZINC000313338348 354213385 /nfs/dbraw/zinc/21/33/85/354213385.db2.gz BLIFFFRUSTURRG-MGPQQGTHSA-N 2 2 283.416 0.541 20 0 CCADLP C[C@H](CCc1ccco1)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000557137336 291023306 /nfs/dbraw/zinc/02/33/06/291023306.db2.gz JMCOGEXKPLNVTI-CHWSQXEVSA-N 2 2 294.399 0.885 20 0 CCADLP C[C@H](CCc1ccco1)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000557137336 291023307 /nfs/dbraw/zinc/02/33/07/291023307.db2.gz JMCOGEXKPLNVTI-CHWSQXEVSA-N 2 2 294.399 0.885 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@H]2CC=CCC2)[C@@H](C[NH3+])C1 ZINC000557167131 291024117 /nfs/dbraw/zinc/02/41/17/291024117.db2.gz HTTJCXMLRMPDCU-RYUDHWBXSA-N 2 2 252.362 0.379 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@H]2CC=CCC2)[C@@H](C[NH3+])C1 ZINC000557167131 291024121 /nfs/dbraw/zinc/02/41/21/291024121.db2.gz HTTJCXMLRMPDCU-RYUDHWBXSA-N 2 2 252.362 0.379 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000330367258 354331538 /nfs/dbraw/zinc/33/15/38/354331538.db2.gz RYQGHHBOJSXZBY-CYBMUJFWSA-N 2 2 253.346 0.665 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](OCCO)C1 ZINC000330367258 354331542 /nfs/dbraw/zinc/33/15/42/354331542.db2.gz RYQGHHBOJSXZBY-CYBMUJFWSA-N 2 2 253.346 0.665 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)NCC2CC[NH2+]CC2)CCO1 ZINC000557210605 291026827 /nfs/dbraw/zinc/02/68/27/291026827.db2.gz CKXCNQWFXNBPOF-AWEZNQCLSA-N 2 2 298.431 0.396 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)NCC2CC[NH2+]CC2)CCO1 ZINC000557210605 291026830 /nfs/dbraw/zinc/02/68/30/291026830.db2.gz CKXCNQWFXNBPOF-AWEZNQCLSA-N 2 2 298.431 0.396 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)NCC2=CC[NH2+]CC2)CCO1 ZINC000557227773 291027571 /nfs/dbraw/zinc/02/75/71/291027571.db2.gz UEBXMUKCUTUXFG-CQSZACIVSA-N 2 2 296.415 0.316 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCC2=CC[NH2+]CC2)CCO1 ZINC000557227773 291027573 /nfs/dbraw/zinc/02/75/73/291027573.db2.gz UEBXMUKCUTUXFG-CQSZACIVSA-N 2 2 296.415 0.316 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)NCCn2cc[nH+]c2C)[N@H+](C)C1 ZINC000330558025 354411040 /nfs/dbraw/zinc/41/10/40/354411040.db2.gz XAWXRJNYOPGPLB-RYUDHWBXSA-N 2 2 266.345 0.027 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)NCCn2cc[nH+]c2C)[N@@H+](C)C1 ZINC000330558025 354411042 /nfs/dbraw/zinc/41/10/42/354411042.db2.gz XAWXRJNYOPGPLB-RYUDHWBXSA-N 2 2 266.345 0.027 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1[NH2+]CC1(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488358 412590923 /nfs/dbraw/zinc/59/09/23/412590923.db2.gz XJTMYQHVTNOPPP-WUHRBBMRSA-N 2 2 283.416 0.598 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1[NH2+]CC1(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488358 412590926 /nfs/dbraw/zinc/59/09/26/412590926.db2.gz XJTMYQHVTNOPPP-WUHRBBMRSA-N 2 2 283.416 0.598 20 0 CCADLP COC(=O)[C@](C)(O)C[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000330860064 354428775 /nfs/dbraw/zinc/42/87/75/354428775.db2.gz VQXOMDCGPQSKTM-OAHLLOKOSA-N 2 2 293.367 0.436 20 0 CCADLP CCC(=O)N1CC[C@@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000331159974 354471977 /nfs/dbraw/zinc/47/19/77/354471977.db2.gz WTLDIGBDEUZOKM-LLVKDONJSA-N 2 2 279.388 0.587 20 0 CCADLP Cc1nccnc1[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000331340543 354542873 /nfs/dbraw/zinc/54/28/73/354542873.db2.gz MYXIFOWYAAYWDN-DGCLKSJQSA-N 2 2 250.346 0.502 20 0 CCADLP Cc1nccnc1[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000331340543 354542876 /nfs/dbraw/zinc/54/28/76/354542876.db2.gz MYXIFOWYAAYWDN-DGCLKSJQSA-N 2 2 250.346 0.502 20 0 CCADLP C[C@H](CNC(=O)c1ccc(C[NH3+])o1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655489424 412593337 /nfs/dbraw/zinc/59/33/37/412593337.db2.gz RFOARVGFNLIZDN-UTUOFQBUSA-N 2 2 295.383 0.966 20 0 CCADLP C[C@H](CNC(=O)c1ccc(C[NH3+])o1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655489424 412593340 /nfs/dbraw/zinc/59/33/40/412593340.db2.gz RFOARVGFNLIZDN-UTUOFQBUSA-N 2 2 295.383 0.966 20 0 CCADLP Cn1cc(N2CC[N@H+](CC[C@@H]3CC[NH2+]C3)CC2=O)cn1 ZINC000333903606 354813720 /nfs/dbraw/zinc/81/37/20/354813720.db2.gz ZTZBGRDUVQJBSO-LBPRGKRZSA-N 2 2 277.372 0.068 20 0 CCADLP Cn1cc(N2CC[N@@H+](CC[C@@H]3CC[NH2+]C3)CC2=O)cn1 ZINC000333903606 354813722 /nfs/dbraw/zinc/81/37/22/354813722.db2.gz ZTZBGRDUVQJBSO-LBPRGKRZSA-N 2 2 277.372 0.068 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000423527794 235000171 /nfs/dbraw/zinc/00/01/71/235000171.db2.gz MTRGGRUXHPUREB-CFVMTHIKSA-N 2 2 295.427 0.683 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000423527794 235000174 /nfs/dbraw/zinc/00/01/74/235000174.db2.gz MTRGGRUXHPUREB-CFVMTHIKSA-N 2 2 295.427 0.683 20 0 CCADLP O=C(NCC1=CC[NH2+]CC1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000423559015 235007170 /nfs/dbraw/zinc/00/71/70/235007170.db2.gz SUMHOBZQLUUFNQ-OAHLLOKOSA-N 2 2 293.411 0.666 20 0 CCADLP O=C(NCC1=CC[NH2+]CC1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000423559015 235007175 /nfs/dbraw/zinc/00/71/75/235007175.db2.gz SUMHOBZQLUUFNQ-OAHLLOKOSA-N 2 2 293.411 0.666 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000335076556 354957965 /nfs/dbraw/zinc/95/79/65/354957965.db2.gz MKPALUDZSPZDGT-QWRGUYRKSA-N 2 2 250.346 0.743 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000335076556 354957968 /nfs/dbraw/zinc/95/79/68/354957968.db2.gz MKPALUDZSPZDGT-QWRGUYRKSA-N 2 2 250.346 0.743 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000335749423 355006351 /nfs/dbraw/zinc/00/63/51/355006351.db2.gz SZOXHMOHVGMWLF-FZMZJTMJSA-N 2 2 251.374 0.681 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000335749423 355006354 /nfs/dbraw/zinc/00/63/54/355006354.db2.gz SZOXHMOHVGMWLF-FZMZJTMJSA-N 2 2 251.374 0.681 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000335749423 355006356 /nfs/dbraw/zinc/00/63/56/355006356.db2.gz SZOXHMOHVGMWLF-FZMZJTMJSA-N 2 2 251.374 0.681 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000335749423 355006358 /nfs/dbraw/zinc/00/63/58/355006358.db2.gz SZOXHMOHVGMWLF-FZMZJTMJSA-N 2 2 251.374 0.681 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335749425 355006680 /nfs/dbraw/zinc/00/66/80/355006680.db2.gz SZOXHMOHVGMWLF-SMDDNHRTSA-N 2 2 251.374 0.681 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335749425 355006683 /nfs/dbraw/zinc/00/66/83/355006683.db2.gz SZOXHMOHVGMWLF-SMDDNHRTSA-N 2 2 251.374 0.681 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000335749425 355006687 /nfs/dbraw/zinc/00/66/87/355006687.db2.gz SZOXHMOHVGMWLF-SMDDNHRTSA-N 2 2 251.374 0.681 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000335749425 355006689 /nfs/dbraw/zinc/00/66/89/355006689.db2.gz SZOXHMOHVGMWLF-SMDDNHRTSA-N 2 2 251.374 0.681 20 0 CCADLP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000336797164 355169712 /nfs/dbraw/zinc/16/97/12/355169712.db2.gz ZDYOJWQBZPSSPM-AVGNSLFASA-N 2 2 253.390 0.975 20 0 CCADLP CCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000336797164 355169715 /nfs/dbraw/zinc/16/97/15/355169715.db2.gz ZDYOJWQBZPSSPM-AVGNSLFASA-N 2 2 253.390 0.975 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCSC[C@@H]1CCO)C1CC1 ZINC000336794016 355166882 /nfs/dbraw/zinc/16/68/82/355166882.db2.gz ZIEKZNXZEYCMPH-STQMWFEESA-N 2 2 274.430 0.241 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCSC[C@@H]1CCO)C1CC1 ZINC000336794016 355166883 /nfs/dbraw/zinc/16/68/83/355166883.db2.gz ZIEKZNXZEYCMPH-STQMWFEESA-N 2 2 274.430 0.241 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCSC[C@@H]1CCO)C1CC1 ZINC000336794016 355166890 /nfs/dbraw/zinc/16/68/90/355166890.db2.gz ZIEKZNXZEYCMPH-STQMWFEESA-N 2 2 274.430 0.241 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCSC[C@@H]1CCO)C1CC1 ZINC000336794016 355166894 /nfs/dbraw/zinc/16/68/94/355166894.db2.gz ZIEKZNXZEYCMPH-STQMWFEESA-N 2 2 274.430 0.241 20 0 CCADLP C[N@H+](CC[C@H]1CCC[NH+]1C)C[C@H]1CCS(=O)(=O)C1 ZINC000336689471 355136114 /nfs/dbraw/zinc/13/61/14/355136114.db2.gz BRYHOEGQHISMHE-CHWSQXEVSA-N 2 2 274.430 0.837 20 0 CCADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@H]1CCS(=O)(=O)C1 ZINC000336689471 355136117 /nfs/dbraw/zinc/13/61/17/355136117.db2.gz BRYHOEGQHISMHE-CHWSQXEVSA-N 2 2 274.430 0.837 20 0 CCADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@H]1CCS(=O)(=O)C1 ZINC000336689471 355136120 /nfs/dbraw/zinc/13/61/20/355136120.db2.gz BRYHOEGQHISMHE-CHWSQXEVSA-N 2 2 274.430 0.837 20 0 CCADLP C[NH+](CC[C@H]1CCC[N@H+]1C)C[C@H]1CCS(=O)(=O)C1 ZINC000336689471 355136122 /nfs/dbraw/zinc/13/61/22/355136122.db2.gz BRYHOEGQHISMHE-CHWSQXEVSA-N 2 2 274.430 0.837 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000336700172 355139493 /nfs/dbraw/zinc/13/94/93/355139493.db2.gz FNNCIMRSAVQDQQ-GFCCVEGCSA-N 2 2 250.346 0.721 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCSC[C@H]1CCO ZINC000336718230 355147868 /nfs/dbraw/zinc/14/78/68/355147868.db2.gz WXPCCYAKZLXOSK-GFCCVEGCSA-N 2 2 255.387 0.991 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCSC[C@H]1CCO ZINC000336718230 355147869 /nfs/dbraw/zinc/14/78/69/355147869.db2.gz WXPCCYAKZLXOSK-GFCCVEGCSA-N 2 2 255.387 0.991 20 0 CCADLP [NH3+]C[C@H]1CCC[C@H]1C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424174135 235168986 /nfs/dbraw/zinc/16/89/86/235168986.db2.gz FQCRYOGBOUBMSA-GMTAPVOTSA-N 2 2 275.343 0.722 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000336823287 355197189 /nfs/dbraw/zinc/19/71/89/355197189.db2.gz OVOOMYMUANVTLH-HNNXBMFYSA-N 2 2 278.400 0.988 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000336823287 355197190 /nfs/dbraw/zinc/19/71/90/355197190.db2.gz OVOOMYMUANVTLH-HNNXBMFYSA-N 2 2 278.400 0.988 20 0 CCADLP Cn1cc([C@@H]2C[N@H+](CCn3cccn3)C[C@H]2[NH3+])cn1 ZINC000424297207 235196143 /nfs/dbraw/zinc/19/61/43/235196143.db2.gz RCIXTYWCKXNLAW-QWHCGFSZSA-N 2 2 260.345 0.043 20 0 CCADLP Cn1cc([C@@H]2C[N@@H+](CCn3cccn3)C[C@H]2[NH3+])cn1 ZINC000424297207 235196147 /nfs/dbraw/zinc/19/61/47/235196147.db2.gz RCIXTYWCKXNLAW-QWHCGFSZSA-N 2 2 260.345 0.043 20 0 CCADLP CCCCNC(=O)[C@H]1CCC[N@H+](Cc2noc(C[NH3+])n2)C1 ZINC000337070183 355260678 /nfs/dbraw/zinc/26/06/78/355260678.db2.gz MSYRSVBSCYVREA-NSHDSACASA-N 2 2 295.387 0.657 20 0 CCADLP CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2noc(C[NH3+])n2)C1 ZINC000337070183 355260683 /nfs/dbraw/zinc/26/06/83/355260683.db2.gz MSYRSVBSCYVREA-NSHDSACASA-N 2 2 295.387 0.657 20 0 CCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338181262 355310456 /nfs/dbraw/zinc/31/04/56/355310456.db2.gz WPIGFOJDLDPDKN-CHWSQXEVSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338181262 355310460 /nfs/dbraw/zinc/31/04/60/355310460.db2.gz WPIGFOJDLDPDKN-CHWSQXEVSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@@](O)(C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)C(F)(F)F ZINC000337176773 355278430 /nfs/dbraw/zinc/27/84/30/355278430.db2.gz JNQOLBURRAVFNI-VXGBXAGGSA-N 2 2 296.333 0.954 20 0 CCADLP C[C@@](O)(C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)C(F)(F)F ZINC000337176773 355278436 /nfs/dbraw/zinc/27/84/36/355278436.db2.gz JNQOLBURRAVFNI-VXGBXAGGSA-N 2 2 296.333 0.954 20 0 CCADLP C[C@H](CO)[N@@H+]1CCCN(CC[NH+]2CCOC[C@@H]2C)CC1 ZINC000337181044 355279929 /nfs/dbraw/zinc/27/99/29/355279929.db2.gz ASISGDGCTQYJJX-CABCVRRESA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H](CO)[N@H+]1CCCN(CC[NH+]2CCOC[C@@H]2C)CC1 ZINC000337181044 355279932 /nfs/dbraw/zinc/27/99/32/355279932.db2.gz ASISGDGCTQYJJX-CABCVRRESA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H](CO)[NH+]1CCCN(CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000337181044 355279934 /nfs/dbraw/zinc/27/99/34/355279934.db2.gz ASISGDGCTQYJJX-CABCVRRESA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H](CO)[NH+]1CCCN(CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000337181044 355279937 /nfs/dbraw/zinc/27/99/37/355279937.db2.gz ASISGDGCTQYJJX-CABCVRRESA-N 2 2 285.432 0.096 20 0 CCADLP [NH3+]CCCCNC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424479940 235213717 /nfs/dbraw/zinc/21/37/17/235213717.db2.gz POEIYSVHMIYQJK-SECBINFHSA-N 2 2 264.320 0.269 20 0 CCADLP COC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000338781683 355419168 /nfs/dbraw/zinc/41/91/68/355419168.db2.gz QHSVRBZOIYPITD-OAHLLOKOSA-N 2 2 279.384 0.643 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000358253518 283101422 /nfs/dbraw/zinc/10/14/22/283101422.db2.gz NXORGXHZCQCEHD-OAHLLOKOSA-N 3 2 269.433 0.906 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000358253518 283101429 /nfs/dbraw/zinc/10/14/29/283101429.db2.gz NXORGXHZCQCEHD-OAHLLOKOSA-N 3 2 269.433 0.906 20 0 CCADLP CC[NH+](CC)C[C@H](C)NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000339829062 355504855 /nfs/dbraw/zinc/50/48/55/355504855.db2.gz XIQXSZBCAFZUNU-STQMWFEESA-N 2 2 271.405 0.554 20 0 CCADLP CO[C@H](C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1)C1CC1 ZINC000425398341 235293307 /nfs/dbraw/zinc/29/33/07/235293307.db2.gz CBAIZAAOENXNNW-CYBMUJFWSA-N 2 2 264.373 0.952 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@H+](C)CCCn1cc[nH+]c1)C(C)C ZINC000341138825 355614438 /nfs/dbraw/zinc/61/44/38/355614438.db2.gz QTBBASGWMSXLGU-OAHLLOKOSA-N 2 2 294.399 0.935 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1)C(C)C ZINC000341138825 355614440 /nfs/dbraw/zinc/61/44/40/355614440.db2.gz QTBBASGWMSXLGU-OAHLLOKOSA-N 2 2 294.399 0.935 20 0 CCADLP CC[C@H](C(=O)OC)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343971064 355780830 /nfs/dbraw/zinc/78/08/30/355780830.db2.gz FBYDFFGSJOSHRJ-ZNMIVQPWSA-N 2 2 297.443 0.896 20 0 CCADLP CC[C@H](C(=O)OC)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343971064 355780832 /nfs/dbraw/zinc/78/08/32/355780832.db2.gz FBYDFFGSJOSHRJ-ZNMIVQPWSA-N 2 2 297.443 0.896 20 0 CCADLP NC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428031947 235391745 /nfs/dbraw/zinc/39/17/45/235391745.db2.gz IKWPZIMWZFKKIF-MCIONIFRSA-N 2 2 259.353 0.897 20 0 CCADLP NC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428031947 235391747 /nfs/dbraw/zinc/39/17/47/235391747.db2.gz IKWPZIMWZFKKIF-MCIONIFRSA-N 2 2 259.353 0.897 20 0 CCADLP CNC(=O)N[C@H]1CC[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348260386 355897896 /nfs/dbraw/zinc/89/78/96/355897896.db2.gz KBLYHGWRJUUHRU-JTQLQIEISA-N 2 2 297.428 0.708 20 0 CCADLP CNC(=O)N[C@H]1CC[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348260386 355897905 /nfs/dbraw/zinc/89/79/05/355897905.db2.gz KBLYHGWRJUUHRU-JTQLQIEISA-N 2 2 297.428 0.708 20 0 CCADLP COc1c(O)cccc1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352692342 356056152 /nfs/dbraw/zinc/05/61/52/356056152.db2.gz FKZFGAJIVSLEAI-CQSZACIVSA-N 2 2 291.395 0.880 20 0 CCADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H](CO)[C@H]2CCCO2)s1 ZINC000352713290 356061266 /nfs/dbraw/zinc/06/12/66/356061266.db2.gz SBEMCMOXTZERQC-NWDGAFQWSA-N 2 2 285.413 0.834 20 0 CCADLP CC[NH+]1CCN(CC(=O)NC[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000353006604 356134743 /nfs/dbraw/zinc/13/47/43/356134743.db2.gz FGJBJEQDSMNODS-AWEZNQCLSA-N 2 2 293.415 0.273 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000353432791 356221575 /nfs/dbraw/zinc/22/15/75/356221575.db2.gz OPEPAWBMPWOHMR-LLVKDONJSA-N 2 2 266.345 0.179 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000353432791 356221580 /nfs/dbraw/zinc/22/15/80/356221580.db2.gz OPEPAWBMPWOHMR-LLVKDONJSA-N 2 2 266.345 0.179 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000353573821 356251848 /nfs/dbraw/zinc/25/18/48/356251848.db2.gz BJDSHTHDYZKMRG-GXTWGEPZSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000353573821 356251850 /nfs/dbraw/zinc/25/18/50/356251850.db2.gz BJDSHTHDYZKMRG-GXTWGEPZSA-N 2 2 269.389 0.213 20 0 CCADLP CCC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000353573820 356252033 /nfs/dbraw/zinc/25/20/33/356252033.db2.gz BHHPCFZZRKNJHC-ZDUSSCGKSA-N 2 2 279.388 0.192 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000353573759 356252054 /nfs/dbraw/zinc/25/20/54/356252054.db2.gz AIKWGLMXIVRNFS-GXTWGEPZSA-N 2 2 293.415 0.438 20 0 CCADLP CCCC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000353629688 356261419 /nfs/dbraw/zinc/26/14/19/356261419.db2.gz DEEKMECKPUDQJO-LBPRGKRZSA-N 2 2 271.405 0.731 20 0 CCADLP CCCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000353629688 356261421 /nfs/dbraw/zinc/26/14/21/356261421.db2.gz DEEKMECKPUDQJO-LBPRGKRZSA-N 2 2 271.405 0.731 20 0 CCADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000360815422 138011881 /nfs/dbraw/zinc/01/18/81/138011881.db2.gz FUWQCRGUJOGAQS-QWRGUYRKSA-N 2 2 293.358 0.457 20 0 CCADLP C[C@]1(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CCC[NH2+]C1 ZINC000353681381 356272529 /nfs/dbraw/zinc/27/25/29/356272529.db2.gz QIMTZCDTNABWEV-ZFWWWQNUSA-N 2 2 281.400 0.356 20 0 CCADLP C[C@]1(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CCC[NH2+]C1 ZINC000353681381 356272532 /nfs/dbraw/zinc/27/25/32/356272532.db2.gz QIMTZCDTNABWEV-ZFWWWQNUSA-N 2 2 281.400 0.356 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[NH+]2CCOC(C)(C)C2)CC[N@@H+]1C ZINC000353691722 356274197 /nfs/dbraw/zinc/27/41/97/356274197.db2.gz NVGPKRAKDVUCDL-KBPBESRZSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[NH+]2CCOC(C)(C)C2)CC[N@H+]1C ZINC000353691722 356274200 /nfs/dbraw/zinc/27/42/00/356274200.db2.gz NVGPKRAKDVUCDL-KBPBESRZSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC[NH+]1C ZINC000353691722 356274203 /nfs/dbraw/zinc/27/42/03/356274203.db2.gz NVGPKRAKDVUCDL-KBPBESRZSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC[NH+]1C ZINC000353691722 356274208 /nfs/dbraw/zinc/27/42/08/356274208.db2.gz NVGPKRAKDVUCDL-KBPBESRZSA-N 2 2 297.443 0.944 20 0 CCADLP Cc1cc[nH+]c(N2CC[NH+]([C@H]3COC[C@H]3O)CC2)c1 ZINC000361307762 138028218 /nfs/dbraw/zinc/02/82/18/138028218.db2.gz HZGAXURAULEGAX-QWHCGFSZSA-N 2 2 263.341 0.272 20 0 CCADLP Cn1cc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)c(C(F)F)n1 ZINC000360955294 138017156 /nfs/dbraw/zinc/01/71/56/138017156.db2.gz QQEBZYCHHAIDIG-LLVKDONJSA-N 2 2 287.358 0.693 20 0 CCADLP Cn1cc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)c(C(F)F)n1 ZINC000360955294 138017157 /nfs/dbraw/zinc/01/71/57/138017157.db2.gz QQEBZYCHHAIDIG-LLVKDONJSA-N 2 2 287.358 0.693 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361082531 138021277 /nfs/dbraw/zinc/02/12/77/138021277.db2.gz VQYXGGSIXUCQAL-OLZOCXBDSA-N 2 2 262.357 0.778 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H](O)C2CC2)CC1 ZINC000361124072 138022171 /nfs/dbraw/zinc/02/21/71/138022171.db2.gz QZUYLINXKOGXCF-CQSZACIVSA-N 2 2 284.400 0.765 20 0 CCADLP OC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000361138792 138022866 /nfs/dbraw/zinc/02/28/66/138022866.db2.gz CVDDATUFDKGOCL-CMPLNLGQSA-N 2 2 279.365 0.861 20 0 CCADLP OC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000361138792 138022867 /nfs/dbraw/zinc/02/28/67/138022867.db2.gz CVDDATUFDKGOCL-CMPLNLGQSA-N 2 2 279.365 0.861 20 0 CCADLP CCNC(=O)[C@H]([NH2+]C1CC[NH+](CCOC)CC1)C(C)C ZINC000354069064 356341015 /nfs/dbraw/zinc/34/10/15/356341015.db2.gz WZMUICSFLQPLIU-CQSZACIVSA-N 2 2 285.432 0.848 20 0 CCADLP C[C@H]1C[C@H](NC(=O)NCCn2cc[nH+]c2)CC[N@@H+]1C ZINC000361857482 138036788 /nfs/dbraw/zinc/03/67/88/138036788.db2.gz AWDONYQFEKWSFI-NWDGAFQWSA-N 2 2 265.361 0.665 20 0 CCADLP C[C@H]1C[C@H](NC(=O)NCCn2cc[nH+]c2)CC[N@H+]1C ZINC000361857482 138036789 /nfs/dbraw/zinc/03/67/89/138036789.db2.gz AWDONYQFEKWSFI-NWDGAFQWSA-N 2 2 265.361 0.665 20 0 CCADLP Cn1nncc1C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000354102270 356347240 /nfs/dbraw/zinc/34/72/40/356347240.db2.gz ZGWXLZDVRKFMDG-ZDUSSCGKSA-N 2 2 263.389 0.979 20 0 CCADLP Cn1nncc1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000354102270 356347243 /nfs/dbraw/zinc/34/72/43/356347243.db2.gz ZGWXLZDVRKFMDG-ZDUSSCGKSA-N 2 2 263.389 0.979 20 0 CCADLP Cn1nncc1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000354102270 356347246 /nfs/dbraw/zinc/34/72/46/356347246.db2.gz ZGWXLZDVRKFMDG-ZDUSSCGKSA-N 2 2 263.389 0.979 20 0 CCADLP Cn1nncc1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000354102270 356347247 /nfs/dbraw/zinc/34/72/47/356347247.db2.gz ZGWXLZDVRKFMDG-ZDUSSCGKSA-N 2 2 263.389 0.979 20 0 CCADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000362226971 138051164 /nfs/dbraw/zinc/05/11/64/138051164.db2.gz PNBKSDNRYZUPAY-HUUCEWRRSA-N 2 2 297.443 0.897 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000362226971 138051165 /nfs/dbraw/zinc/05/11/65/138051165.db2.gz PNBKSDNRYZUPAY-HUUCEWRRSA-N 2 2 297.443 0.897 20 0 CCADLP Cc1nc(N[C@@H]2CC[N@@H+](C3CC3)C2)nc(N(C)C)[nH+]1 ZINC000532269440 358502697 /nfs/dbraw/zinc/50/26/97/358502697.db2.gz HSXVMZFJZFNJPP-SNVBAGLBSA-N 2 2 262.361 0.317 20 0 CCADLP Cc1nc(N[C@@H]2CC[N@H+](C3CC3)C2)nc(N(C)C)[nH+]1 ZINC000532269440 358502701 /nfs/dbraw/zinc/50/27/01/358502701.db2.gz HSXVMZFJZFNJPP-SNVBAGLBSA-N 2 2 262.361 0.317 20 0 CCADLP O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CCn2cc[nH+]c2C1 ZINC000362554027 138063751 /nfs/dbraw/zinc/06/37/51/138063751.db2.gz RVVGJVUFTSCIGN-SNVBAGLBSA-N 2 2 286.339 0.339 20 0 CCADLP Cc1cnc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)o1 ZINC000362836263 138077030 /nfs/dbraw/zinc/07/70/30/138077030.db2.gz FPVQXWORPZRUBV-GFCCVEGCSA-N 2 2 278.356 0.379 20 0 CCADLP Cc1cnc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)o1 ZINC000362836263 138077031 /nfs/dbraw/zinc/07/70/31/138077031.db2.gz FPVQXWORPZRUBV-GFCCVEGCSA-N 2 2 278.356 0.379 20 0 CCADLP O=C(NCc1ccc(-n2cc[nH+]c2)nc1)[C@H]1CCC[NH2+]1 ZINC000363019844 138084821 /nfs/dbraw/zinc/08/48/21/138084821.db2.gz QYKBNXCEZLHJDL-GFCCVEGCSA-N 2 2 271.324 0.636 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@H]1C[C@@H](F)C[NH2+]1 ZINC000354618161 356454297 /nfs/dbraw/zinc/45/42/97/356454297.db2.gz VJCWPSKWOMCULN-GHMZBOCLSA-N 2 2 266.320 0.464 20 0 CCADLP Cc1cc(N2CC[NH2+][C@H](C(N)=O)C2)nc(-c2ccncc2)[nH+]1 ZINC000363186911 138087071 /nfs/dbraw/zinc/08/70/71/138087071.db2.gz ZWJRMVLOZYVHGU-LBPRGKRZSA-N 2 2 298.350 0.111 20 0 CCADLP Cc1cc(NC(=O)C[NH2+][C@](C)(C[NH3+])C2CC2)no1 ZINC000430579224 235513169 /nfs/dbraw/zinc/51/31/69/235513169.db2.gz BVDAPUJWOUBAHR-GFCCVEGCSA-N 2 2 252.318 0.060 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000354932661 356532116 /nfs/dbraw/zinc/53/21/16/356532116.db2.gz WTRWRGBTBXAXPR-UHFFFAOYSA-N 2 2 279.388 0.396 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000354932661 356532121 /nfs/dbraw/zinc/53/21/21/356532121.db2.gz WTRWRGBTBXAXPR-UHFFFAOYSA-N 2 2 279.388 0.396 20 0 CCADLP COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000609537184 363502691 /nfs/dbraw/zinc/50/26/91/363502691.db2.gz XOXSCRDLBKEKJG-ZDUSSCGKSA-N 2 2 299.415 0.470 20 0 CCADLP COC(=O)CN(C)C(=O)CC[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000609537184 363502695 /nfs/dbraw/zinc/50/26/95/363502695.db2.gz XOXSCRDLBKEKJG-ZDUSSCGKSA-N 2 2 299.415 0.470 20 0 CCADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCC(=O)NC(N)=O)C1 ZINC000609385974 363493744 /nfs/dbraw/zinc/49/37/44/363493744.db2.gz IZLRZBIJXHNJBU-JTQLQIEISA-N 2 2 256.350 0.034 20 0 CCADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000609385974 363493749 /nfs/dbraw/zinc/49/37/49/363493749.db2.gz IZLRZBIJXHNJBU-JTQLQIEISA-N 2 2 256.350 0.034 20 0 CCADLP COC(=O)CN1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000355253571 356619201 /nfs/dbraw/zinc/61/92/01/356619201.db2.gz BHIUCFALBJBDSW-UHFFFAOYSA-N 2 2 280.372 0.372 20 0 CCADLP CCN1CCN(C(=O)C[NH+](C)C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000356037315 356690678 /nfs/dbraw/zinc/69/06/78/356690678.db2.gz QEEORUWGMVNPBO-LLVKDONJSA-N 2 2 265.361 0.177 20 0 CCADLP C[C@@H](CNC(=O)NCC[N@@H+]1CCOC[C@H]1C)[NH+](C)C1CC1 ZINC000356335440 356747687 /nfs/dbraw/zinc/74/76/87/356747687.db2.gz NBZIWRNVXHEUBF-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H](CNC(=O)NCC[N@H+]1CCOC[C@H]1C)[NH+](C)C1CC1 ZINC000356335440 356747691 /nfs/dbraw/zinc/74/76/91/356747691.db2.gz NBZIWRNVXHEUBF-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H](CNC(=O)NCC[NH+]1CCOC[C@H]1C)[N@H+](C)C1CC1 ZINC000356335440 356747694 /nfs/dbraw/zinc/74/76/94/356747694.db2.gz NBZIWRNVXHEUBF-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H](CNC(=O)NCC[NH+]1CCOC[C@H]1C)[N@@H+](C)C1CC1 ZINC000356335440 356747698 /nfs/dbraw/zinc/74/76/98/356747698.db2.gz NBZIWRNVXHEUBF-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)CS(C)(=O)=O ZINC000357079390 356768419 /nfs/dbraw/zinc/76/84/19/356768419.db2.gz SGXNPIODNTXAKF-IJLUTSLNSA-N 2 2 260.403 0.208 20 0 CCADLP C[C@H](C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)CS(C)(=O)=O ZINC000357079390 356768424 /nfs/dbraw/zinc/76/84/24/356768424.db2.gz SGXNPIODNTXAKF-IJLUTSLNSA-N 2 2 260.403 0.208 20 0 CCADLP C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359298109 356797053 /nfs/dbraw/zinc/79/70/53/356797053.db2.gz ZCOOTSRHIODSHZ-BNOWGMLFSA-N 2 2 291.370 0.982 20 0 CCADLP C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359298109 356797057 /nfs/dbraw/zinc/79/70/57/356797057.db2.gz ZCOOTSRHIODSHZ-BNOWGMLFSA-N 2 2 291.370 0.982 20 0 CCADLP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000359763675 356887133 /nfs/dbraw/zinc/88/71/33/356887133.db2.gz OQYIWVKOTBCUIE-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000359763675 356887136 /nfs/dbraw/zinc/88/71/36/356887136.db2.gz OQYIWVKOTBCUIE-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP C[C@@H](CN1CCOCC1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655690508 412645906 /nfs/dbraw/zinc/64/59/06/412645906.db2.gz BSQJBHQEKSBYEV-HOCLYGCPSA-N 2 2 297.443 0.550 20 0 CCADLP Cn1cc(N2CC[C@H]([N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)C2=O)cn1 ZINC000360561987 357039795 /nfs/dbraw/zinc/03/97/95/357039795.db2.gz KGUTWXXHTWDOPN-DZGCQCFKSA-N 2 2 289.383 0.211 20 0 CCADLP Cn1cc(N2CC[C@H]([N@H+]3CC[C@@]4(CC[NH2+]C4)C3)C2=O)cn1 ZINC000360561987 357039798 /nfs/dbraw/zinc/03/97/98/357039798.db2.gz KGUTWXXHTWDOPN-DZGCQCFKSA-N 2 2 289.383 0.211 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000619903151 366382385 /nfs/dbraw/zinc/38/23/85/366382385.db2.gz WWLKGIBJLQGALG-NSHDSACASA-N 2 2 250.346 0.861 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000619903151 366382391 /nfs/dbraw/zinc/38/23/91/366382391.db2.gz WWLKGIBJLQGALG-NSHDSACASA-N 2 2 250.346 0.861 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000364586660 357122464 /nfs/dbraw/zinc/12/24/64/357122464.db2.gz MLRJLSWAMSHPAW-WFASDCNBSA-N 2 2 274.368 0.763 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366549146 357223764 /nfs/dbraw/zinc/22/37/64/357223764.db2.gz DPRQQHWVIIWKNK-OAHLLOKOSA-N 2 2 297.399 0.036 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366549146 357223768 /nfs/dbraw/zinc/22/37/68/357223768.db2.gz DPRQQHWVIIWKNK-OAHLLOKOSA-N 2 2 297.399 0.036 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366549146 357223772 /nfs/dbraw/zinc/22/37/72/357223772.db2.gz DPRQQHWVIIWKNK-OAHLLOKOSA-N 2 2 297.399 0.036 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366549146 357223774 /nfs/dbraw/zinc/22/37/74/357223774.db2.gz DPRQQHWVIIWKNK-OAHLLOKOSA-N 2 2 297.399 0.036 20 0 CCADLP CN1CCC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1=O ZINC000655717863 412652428 /nfs/dbraw/zinc/65/24/28/412652428.db2.gz FFMLLERYCXUNOR-GJZGRUSLSA-N 2 2 295.427 0.840 20 0 CCADLP COCCOC[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655729313 412652144 /nfs/dbraw/zinc/65/21/44/412652144.db2.gz JDNYGRROXUFLAX-UKRRQHHQSA-N 2 2 286.416 0.881 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)CC1 ZINC000369254276 357341501 /nfs/dbraw/zinc/34/15/01/357341501.db2.gz JPRIPVSLQXWLEA-LBPRGKRZSA-N 2 2 266.389 0.617 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC3CC3)C2)CC1 ZINC000369254276 357341507 /nfs/dbraw/zinc/34/15/07/357341507.db2.gz JPRIPVSLQXWLEA-LBPRGKRZSA-N 2 2 266.389 0.617 20 0 CCADLP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CCn1cc[nH+]c1 ZINC000375057705 357403996 /nfs/dbraw/zinc/40/39/96/357403996.db2.gz BTSGRAQDKHTWGY-QWRGUYRKSA-N 2 2 254.309 0.432 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000376092733 357431038 /nfs/dbraw/zinc/43/10/38/357431038.db2.gz AQEQXUGDZKJDJN-RYUDHWBXSA-N 2 2 284.404 0.637 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000376092733 357431042 /nfs/dbraw/zinc/43/10/42/357431042.db2.gz AQEQXUGDZKJDJN-RYUDHWBXSA-N 2 2 284.404 0.637 20 0 CCADLP O=C(NCC[N@H+]1CC=CCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000377280002 357561803 /nfs/dbraw/zinc/56/18/03/357561803.db2.gz XPXCREATSGVADX-ZDUSSCGKSA-N 2 2 274.368 0.824 20 0 CCADLP O=C(NCC[N@@H+]1CC=CCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000377280002 357561806 /nfs/dbraw/zinc/56/18/06/357561806.db2.gz XPXCREATSGVADX-ZDUSSCGKSA-N 2 2 274.368 0.824 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)C23CCC[NH+]2CCC3)CCO1 ZINC000377796644 357618151 /nfs/dbraw/zinc/61/81/51/357618151.db2.gz ROJXLOOWCPXGQD-UHFFFAOYSA-N 2 2 295.427 0.842 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)C23CCC[NH+]2CCC3)CCO1 ZINC000377796644 357618152 /nfs/dbraw/zinc/61/81/52/357618152.db2.gz ROJXLOOWCPXGQD-UHFFFAOYSA-N 2 2 295.427 0.842 20 0 CCADLP CN(C)CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655768913 412657856 /nfs/dbraw/zinc/65/78/56/412657856.db2.gz RQPZAXHUQPETHH-AWEZNQCLSA-N 2 2 255.406 0.781 20 0 CCADLP C[C@@H]1CSC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000449119604 236018345 /nfs/dbraw/zinc/01/83/45/236018345.db2.gz AGFMUHQLFWOWNM-IJLUTSLNSA-N 2 2 271.430 0.667 20 0 CCADLP C[C@@H]1CSC[C@H]1[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000449119604 236018347 /nfs/dbraw/zinc/01/83/47/236018347.db2.gz AGFMUHQLFWOWNM-IJLUTSLNSA-N 2 2 271.430 0.667 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@](O)(C(F)(F)F)C1 ZINC000385929011 357728496 /nfs/dbraw/zinc/72/84/96/357728496.db2.gz KNDBNZWQJHQOAC-VHSXEESVSA-N 2 2 270.295 0.298 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@](O)(C(F)(F)F)C1 ZINC000385929011 357728498 /nfs/dbraw/zinc/72/84/98/357728498.db2.gz KNDBNZWQJHQOAC-VHSXEESVSA-N 2 2 270.295 0.298 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000385929011 357728499 /nfs/dbraw/zinc/72/84/99/357728499.db2.gz KNDBNZWQJHQOAC-VHSXEESVSA-N 2 2 270.295 0.298 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000385929011 357728501 /nfs/dbraw/zinc/72/85/01/357728501.db2.gz KNDBNZWQJHQOAC-VHSXEESVSA-N 2 2 270.295 0.298 20 0 CCADLP C[C@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449384988 236031757 /nfs/dbraw/zinc/03/17/57/236031757.db2.gz DBRDKYGRRXACFR-ZIAGYGMSSA-N 2 2 266.389 0.708 20 0 CCADLP C[C@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449384988 236031759 /nfs/dbraw/zinc/03/17/59/236031759.db2.gz DBRDKYGRRXACFR-ZIAGYGMSSA-N 2 2 266.389 0.708 20 0 CCADLP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cn1 ZINC000449392680 236032352 /nfs/dbraw/zinc/03/23/52/236032352.db2.gz KSYAMAVMHRZQFQ-ZDUSSCGKSA-N 2 2 252.362 0.357 20 0 CCADLP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cn1 ZINC000449392680 236032354 /nfs/dbraw/zinc/03/23/54/236032354.db2.gz KSYAMAVMHRZQFQ-ZDUSSCGKSA-N 2 2 252.362 0.357 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCSC(C)(C)C1 ZINC000386504106 357730574 /nfs/dbraw/zinc/73/05/74/357730574.db2.gz ZMKHFJMUQYNGAX-GFCCVEGCSA-N 2 2 276.446 0.753 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCSC(C)(C)C1 ZINC000386504106 357730579 /nfs/dbraw/zinc/73/05/79/357730579.db2.gz ZMKHFJMUQYNGAX-GFCCVEGCSA-N 2 2 276.446 0.753 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCSC(C)(C)C1 ZINC000386504106 357730583 /nfs/dbraw/zinc/73/05/83/357730583.db2.gz ZMKHFJMUQYNGAX-GFCCVEGCSA-N 2 2 276.446 0.753 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCSC(C)(C)C1 ZINC000386504106 357730587 /nfs/dbraw/zinc/73/05/87/357730587.db2.gz ZMKHFJMUQYNGAX-GFCCVEGCSA-N 2 2 276.446 0.753 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@](C)(O)C(=O)OC ZINC000394393089 357755732 /nfs/dbraw/zinc/75/57/32/357755732.db2.gz WWMRFBNRBLZXAO-DYEKYZERSA-N 2 2 270.373 0.469 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@](C)(O)C(=O)OC ZINC000394393089 357755734 /nfs/dbraw/zinc/75/57/34/357755734.db2.gz WWMRFBNRBLZXAO-DYEKYZERSA-N 2 2 270.373 0.469 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@](C)(O)C(=O)OC ZINC000394393089 357755736 /nfs/dbraw/zinc/75/57/36/357755736.db2.gz WWMRFBNRBLZXAO-DYEKYZERSA-N 2 2 270.373 0.469 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@](C)(O)C(=O)OC ZINC000394393089 357755739 /nfs/dbraw/zinc/75/57/39/357755739.db2.gz WWMRFBNRBLZXAO-DYEKYZERSA-N 2 2 270.373 0.469 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CS1 ZINC000397757279 357772854 /nfs/dbraw/zinc/77/28/54/357772854.db2.gz GOJPVHKRDLIZBL-MNOVXSKESA-N 2 2 257.403 0.244 20 0 CCADLP CN(C)C(=O)C1([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CCCCC1 ZINC000451409143 236158636 /nfs/dbraw/zinc/15/86/36/236158636.db2.gz GDSNCGAUQXTTJU-AWEZNQCLSA-N 2 2 297.443 0.822 20 0 CCADLP CN(C)C(=O)C1([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CCCCC1 ZINC000451409143 236158637 /nfs/dbraw/zinc/15/86/37/236158637.db2.gz GDSNCGAUQXTTJU-AWEZNQCLSA-N 2 2 297.443 0.822 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CC(C)(C)OC2(C)C)[C@H](C[NH3+])C1 ZINC000561185537 291119655 /nfs/dbraw/zinc/11/96/55/291119655.db2.gz HYRZWDNQDNFOFP-VXGBXAGGSA-N 2 2 298.431 0.617 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CC(C)(C)OC2(C)C)[C@H](C[NH3+])C1 ZINC000561185537 291119658 /nfs/dbraw/zinc/11/96/58/291119658.db2.gz HYRZWDNQDNFOFP-VXGBXAGGSA-N 2 2 298.431 0.617 20 0 CCADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)C(C)(C)n1cncn1 ZINC000453251121 236272841 /nfs/dbraw/zinc/27/28/41/236272841.db2.gz AUTVZNRCDWZLQF-UONOGXRCSA-N 2 2 295.431 0.838 20 0 CCADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)C(C)(C)n1cncn1 ZINC000453251121 236272844 /nfs/dbraw/zinc/27/28/44/236272844.db2.gz AUTVZNRCDWZLQF-UONOGXRCSA-N 2 2 295.431 0.838 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000417025524 358129365 /nfs/dbraw/zinc/12/93/65/358129365.db2.gz LRXVCTPGDWHCIA-MGPQQGTHSA-N 2 2 298.431 0.524 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000417029853 358129790 /nfs/dbraw/zinc/12/97/90/358129790.db2.gz OIJYWGRAXMCQHM-RDBSUJKOSA-N 2 2 298.431 0.524 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000347294227 283334170 /nfs/dbraw/zinc/33/41/70/283334170.db2.gz VSPBOOOWVYLXMT-CQSZACIVSA-N 2 2 295.427 0.842 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000347294227 283334171 /nfs/dbraw/zinc/33/41/71/283334171.db2.gz VSPBOOOWVYLXMT-CQSZACIVSA-N 2 2 295.427 0.842 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000417413272 358132694 /nfs/dbraw/zinc/13/26/94/358132694.db2.gz GDHGTJYUKLFSDN-QWHCGFSZSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000417413272 358132695 /nfs/dbraw/zinc/13/26/95/358132695.db2.gz GDHGTJYUKLFSDN-QWHCGFSZSA-N 2 2 298.431 0.476 20 0 CCADLP O=C(N[C@H]1CCC[NH2+]C1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000422725910 358192802 /nfs/dbraw/zinc/19/28/02/358192802.db2.gz CMSKEFJJBJYGGF-GXTWGEPZSA-N 2 2 281.400 0.498 20 0 CCADLP O=C(N[C@H]1CCC[NH2+]C1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000422725910 358192806 /nfs/dbraw/zinc/19/28/06/358192806.db2.gz CMSKEFJJBJYGGF-GXTWGEPZSA-N 2 2 281.400 0.498 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000422823683 358193621 /nfs/dbraw/zinc/19/36/21/358193621.db2.gz DWEBSFOXCVUKAS-GXTWGEPZSA-N 2 2 283.416 0.602 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000422823683 358193622 /nfs/dbraw/zinc/19/36/22/358193622.db2.gz DWEBSFOXCVUKAS-GXTWGEPZSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CC(=O)N2CCCC[C@H]12 ZINC000423114632 358196011 /nfs/dbraw/zinc/19/60/11/358196011.db2.gz LXNALIOSNOSEHS-MROQNXINSA-N 2 2 251.374 0.727 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H](C)[NH+](C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000448678051 358250803 /nfs/dbraw/zinc/25/08/03/358250803.db2.gz RFSVTIPDKCAVGZ-MCIONIFRSA-N 2 2 285.432 0.942 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H](C)[NH+](C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000448678051 358250807 /nfs/dbraw/zinc/25/08/07/358250807.db2.gz RFSVTIPDKCAVGZ-MCIONIFRSA-N 2 2 285.432 0.942 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCC(=O)N2)C[N@@H+]1C1CC1 ZINC000453447052 358268957 /nfs/dbraw/zinc/26/89/57/358268957.db2.gz ZBDUPNHWAVRVTR-GYSYKLTISA-N 2 2 251.374 0.870 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCC(=O)N2)C[N@H+]1C1CC1 ZINC000453447052 358268960 /nfs/dbraw/zinc/26/89/60/358268960.db2.gz ZBDUPNHWAVRVTR-GYSYKLTISA-N 2 2 251.374 0.870 20 0 CCADLP CC[C@H](C)[N@H+](C)CCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000488379122 358288195 /nfs/dbraw/zinc/28/81/95/358288195.db2.gz YVAQWBOJMKJKEK-JTQLQIEISA-N 2 2 266.393 0.810 20 0 CCADLP CC[C@H](C)[N@@H+](C)CCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000488379122 358288203 /nfs/dbraw/zinc/28/82/03/358288203.db2.gz YVAQWBOJMKJKEK-JTQLQIEISA-N 2 2 266.393 0.810 20 0 CCADLP C[N@H+](CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)[C@@H]1CCOC1 ZINC000496812273 358327884 /nfs/dbraw/zinc/32/78/84/358327884.db2.gz WSVRYXYNASJVHN-UKRRQHHQSA-N 2 2 295.383 0.581 20 0 CCADLP C[N@@H+](CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)[C@@H]1CCOC1 ZINC000496812273 358327887 /nfs/dbraw/zinc/32/78/87/358327887.db2.gz WSVRYXYNASJVHN-UKRRQHHQSA-N 2 2 295.383 0.581 20 0 CCADLP COC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000517567466 358342916 /nfs/dbraw/zinc/34/29/16/358342916.db2.gz QEIWXDCIYLZNSI-WDEREUQCSA-N 2 2 256.346 0.235 20 0 CCADLP COC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000517567466 358342918 /nfs/dbraw/zinc/34/29/18/358342918.db2.gz QEIWXDCIYLZNSI-WDEREUQCSA-N 2 2 256.346 0.235 20 0 CCADLP C[C@](O)(C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO)C(F)(F)F ZINC000514673448 358335390 /nfs/dbraw/zinc/33/53/90/358335390.db2.gz LALYAAJKRXCQOH-QWRGUYRKSA-N 2 2 284.322 0.736 20 0 CCADLP C[C@](O)(C[NH2+]C[C@@H]1CCCC[N@H+]1CCO)C(F)(F)F ZINC000514673448 358335394 /nfs/dbraw/zinc/33/53/94/358335394.db2.gz LALYAAJKRXCQOH-QWRGUYRKSA-N 2 2 284.322 0.736 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420401647 283374233 /nfs/dbraw/zinc/37/42/33/283374233.db2.gz PMMSOMPFGDMYGF-CHWSQXEVSA-N 2 2 296.415 0.686 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420401647 283374239 /nfs/dbraw/zinc/37/42/39/283374239.db2.gz PMMSOMPFGDMYGF-CHWSQXEVSA-N 2 2 296.415 0.686 20 0 CCADLP CC[C@@H]1CN(C)CC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000562444794 291152359 /nfs/dbraw/zinc/15/23/59/291152359.db2.gz SKJSJYUPJWUYQK-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP CC[C@@H]1CN(C)CC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000562444794 291152361 /nfs/dbraw/zinc/15/23/61/291152361.db2.gz SKJSJYUPJWUYQK-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1CCC(=O)N1CC[NH+](C)CC1 ZINC000562444794 291152363 /nfs/dbraw/zinc/15/23/63/291152363.db2.gz SKJSJYUPJWUYQK-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1CCC(=O)N1CC[NH+](C)CC1 ZINC000562444794 291152366 /nfs/dbraw/zinc/15/23/66/291152366.db2.gz SKJSJYUPJWUYQK-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)C1CC1 ZINC000567683452 358571425 /nfs/dbraw/zinc/57/14/25/358571425.db2.gz NXWITKLQEMBPCD-YPMHNXCESA-N 2 2 283.416 0.431 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)C1CC1 ZINC000567683452 358571428 /nfs/dbraw/zinc/57/14/28/358571428.db2.gz NXWITKLQEMBPCD-YPMHNXCESA-N 2 2 283.416 0.431 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000533186252 358531459 /nfs/dbraw/zinc/53/14/59/358531459.db2.gz RRJNQSRHHXMYGA-LBPRGKRZSA-N 2 2 250.346 0.683 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000533186252 358531463 /nfs/dbraw/zinc/53/14/63/358531463.db2.gz RRJNQSRHHXMYGA-LBPRGKRZSA-N 2 2 250.346 0.683 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000567864942 358602117 /nfs/dbraw/zinc/60/21/17/358602117.db2.gz DYZGOIUTWMCNOO-FZMZJTMJSA-N 2 2 287.363 0.870 20 0 CCADLP C[C@H](O)C[C@H](C)C[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000567875520 358603352 /nfs/dbraw/zinc/60/33/52/358603352.db2.gz GFEHANMHVPEZPL-YTFOTSKYSA-N 2 2 288.432 0.453 20 0 CCADLP CC(C)NC(=O)NCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000567771366 358585027 /nfs/dbraw/zinc/58/50/27/358585027.db2.gz AXUCJLVGDUVZQO-CQSZACIVSA-N 2 2 268.405 0.722 20 0 CCADLP CC(C)NC(=O)NCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000567771366 358585031 /nfs/dbraw/zinc/58/50/31/358585031.db2.gz AXUCJLVGDUVZQO-CQSZACIVSA-N 2 2 268.405 0.722 20 0 CCADLP CC(C)NC(=O)NCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000567771366 358585034 /nfs/dbraw/zinc/58/50/34/358585034.db2.gz AXUCJLVGDUVZQO-CQSZACIVSA-N 2 2 268.405 0.722 20 0 CCADLP CC(C)NC(=O)NCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000567771366 358585038 /nfs/dbraw/zinc/58/50/38/358585038.db2.gz AXUCJLVGDUVZQO-CQSZACIVSA-N 2 2 268.405 0.722 20 0 CCADLP CN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)C1CC([NH3+])C1 ZINC000567844990 358599427 /nfs/dbraw/zinc/59/94/27/358599427.db2.gz GPRIOVSIUXOHNL-UHFFFAOYSA-N 2 2 271.324 0.829 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000568205053 358647021 /nfs/dbraw/zinc/64/70/21/358647021.db2.gz BVLCKIHGVXCKKM-GFCCVEGCSA-N 2 2 280.372 0.427 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@H+]1CCCOCC1 ZINC000568205053 358647025 /nfs/dbraw/zinc/64/70/25/358647025.db2.gz BVLCKIHGVXCKKM-GFCCVEGCSA-N 2 2 280.372 0.427 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000568205053 358647029 /nfs/dbraw/zinc/64/70/29/358647029.db2.gz BVLCKIHGVXCKKM-GFCCVEGCSA-N 2 2 280.372 0.427 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@H+]1CCCOCC1 ZINC000568205053 358647033 /nfs/dbraw/zinc/64/70/33/358647033.db2.gz BVLCKIHGVXCKKM-GFCCVEGCSA-N 2 2 280.372 0.427 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000568227135 358652784 /nfs/dbraw/zinc/65/27/84/358652784.db2.gz SBSLCVUENICDCK-UPJWGTAASA-N 2 2 294.399 0.502 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000568227135 358652787 /nfs/dbraw/zinc/65/27/87/358652787.db2.gz SBSLCVUENICDCK-UPJWGTAASA-N 2 2 294.399 0.502 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000568227135 358652790 /nfs/dbraw/zinc/65/27/90/358652790.db2.gz SBSLCVUENICDCK-UPJWGTAASA-N 2 2 294.399 0.502 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000568227135 358652792 /nfs/dbraw/zinc/65/27/92/358652792.db2.gz SBSLCVUENICDCK-UPJWGTAASA-N 2 2 294.399 0.502 20 0 CCADLP O=C(NCC[C@H]1CCC[NH2+]1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000568265778 358660397 /nfs/dbraw/zinc/66/03/97/358660397.db2.gz NOWSFCBHLQOZTJ-LLVKDONJSA-N 2 2 286.339 0.534 20 0 CCADLP C[C@@H]([NH3+])C1CC[NH+](Cc2nnnn2CC(F)(F)F)CC1 ZINC000568512079 358680646 /nfs/dbraw/zinc/68/06/46/358680646.db2.gz CIRGYQREVBLZML-MRVPVSSYSA-N 2 2 292.309 0.795 20 0 CCADLP C[C@H]([C@H](C)NC(=O)CC[NH2+]C1CC1)[NH+]1CCOCC1 ZINC000568663263 358696540 /nfs/dbraw/zinc/69/65/40/358696540.db2.gz XLRMINRXAPMIDG-NWDGAFQWSA-N 2 2 269.389 0.354 20 0 CCADLP C[C@@H](NC(=O)CC[NH2+]C1CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000568663265 358696552 /nfs/dbraw/zinc/69/65/52/358696552.db2.gz XLRMINRXAPMIDG-VXGBXAGGSA-N 2 2 269.389 0.354 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C[C@H](C)O)C(C)C ZINC000569234678 358746062 /nfs/dbraw/zinc/74/60/62/358746062.db2.gz HFFCUMOSLKKKLB-QWHCGFSZSA-N 2 2 262.394 0.017 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C[C@H](C)O)C(C)C ZINC000569234678 358746067 /nfs/dbraw/zinc/74/60/67/358746067.db2.gz HFFCUMOSLKKKLB-QWHCGFSZSA-N 2 2 262.394 0.017 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C[C@H](C)O)C(C)C ZINC000569234678 358746068 /nfs/dbraw/zinc/74/60/68/358746068.db2.gz HFFCUMOSLKKKLB-QWHCGFSZSA-N 2 2 262.394 0.017 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C[C@H](C)O)C(C)C ZINC000569234678 358746072 /nfs/dbraw/zinc/74/60/72/358746072.db2.gz HFFCUMOSLKKKLB-QWHCGFSZSA-N 2 2 262.394 0.017 20 0 CCADLP CC[NH+]1CCC(CNc2cc(NC[C@H](C)O)[nH+]cn2)CC1 ZINC000569436019 358763320 /nfs/dbraw/zinc/76/33/20/358763320.db2.gz BXDWMSVFWGQREK-LBPRGKRZSA-N 2 2 293.415 0.835 20 0 CCADLP CC[NH+]1CCC(CNc2cc(NC[C@H](C)O)nc[nH+]2)CC1 ZINC000569436019 358763325 /nfs/dbraw/zinc/76/33/25/358763325.db2.gz BXDWMSVFWGQREK-LBPRGKRZSA-N 2 2 293.415 0.835 20 0 CCADLP C[C@@H](CNC(=O)NCCCCn1cc[nH+]c1)[NH+](C)C ZINC000562588643 291159895 /nfs/dbraw/zinc/15/98/95/291159895.db2.gz ODVKTJQJIZRRBP-LBPRGKRZSA-N 2 2 267.377 0.913 20 0 CCADLP NC(=O)Cn1cc(C[N@H+](CCC[NH3+])CC2CCCC2)nn1 ZINC000570044247 358816663 /nfs/dbraw/zinc/81/66/63/358816663.db2.gz CJYDEADFJIIBQK-UHFFFAOYSA-N 2 2 294.403 0.104 20 0 CCADLP NC(=O)Cn1cc(C[N@@H+](CCC[NH3+])CC2CCCC2)nn1 ZINC000570044247 358816667 /nfs/dbraw/zinc/81/66/67/358816667.db2.gz CJYDEADFJIIBQK-UHFFFAOYSA-N 2 2 294.403 0.104 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCCCS2)[C@@H](C[NH3+])C1 ZINC000569558705 358773144 /nfs/dbraw/zinc/77/31/44/358773144.db2.gz IAFDJDUZDNVEMS-RYUDHWBXSA-N 2 2 286.445 0.556 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCCCS2)[C@@H](C[NH3+])C1 ZINC000569558705 358773147 /nfs/dbraw/zinc/77/31/47/358773147.db2.gz IAFDJDUZDNVEMS-RYUDHWBXSA-N 2 2 286.445 0.556 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCOc3ccccc3)CCN2C1=O ZINC000569710100 358788159 /nfs/dbraw/zinc/78/81/59/358788159.db2.gz MTPCOZLYGKLEPG-TZMCWYRMSA-N 2 2 275.352 0.309 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCOc3ccccc3)CCN2C1=O ZINC000569710100 358788161 /nfs/dbraw/zinc/78/81/61/358788161.db2.gz MTPCOZLYGKLEPG-TZMCWYRMSA-N 2 2 275.352 0.309 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000570526851 358867074 /nfs/dbraw/zinc/86/70/74/358867074.db2.gz CTMBLBOMBBBDPV-OLZOCXBDSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000570526851 358867078 /nfs/dbraw/zinc/86/70/78/358867078.db2.gz CTMBLBOMBBBDPV-OLZOCXBDSA-N 2 2 294.399 0.551 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000570763489 358891758 /nfs/dbraw/zinc/89/17/58/358891758.db2.gz ORPONWRHTKTNMT-LSDHHAIUSA-N 2 2 297.443 0.537 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000570763489 358891762 /nfs/dbraw/zinc/89/17/62/358891762.db2.gz ORPONWRHTKTNMT-LSDHHAIUSA-N 2 2 297.443 0.537 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000570763489 358891767 /nfs/dbraw/zinc/89/17/67/358891767.db2.gz ORPONWRHTKTNMT-LSDHHAIUSA-N 2 2 297.443 0.537 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000570763489 358891771 /nfs/dbraw/zinc/89/17/71/358891771.db2.gz ORPONWRHTKTNMT-LSDHHAIUSA-N 2 2 297.443 0.537 20 0 CCADLP Cc1ccccc1CCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000571183422 358920615 /nfs/dbraw/zinc/92/06/15/358920615.db2.gz YCKZEAFZNAZQGI-OAHLLOKOSA-N 2 2 290.411 0.822 20 0 CCADLP Cc1ccccc1CCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000571183422 358920619 /nfs/dbraw/zinc/92/06/19/358920619.db2.gz YCKZEAFZNAZQGI-OAHLLOKOSA-N 2 2 290.411 0.822 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCc2ccccc2)[C@@H](C[NH3+])C1 ZINC000573547848 358976909 /nfs/dbraw/zinc/97/69/09/358976909.db2.gz QLLGFNODVAULPO-AWEZNQCLSA-N 2 2 276.384 0.513 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCc2ccccc2)[C@@H](C[NH3+])C1 ZINC000573547848 358976915 /nfs/dbraw/zinc/97/69/15/358976915.db2.gz QLLGFNODVAULPO-AWEZNQCLSA-N 2 2 276.384 0.513 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCOC[C@@H]1C1CCC1 ZINC000574050907 359023792 /nfs/dbraw/zinc/02/37/92/359023792.db2.gz MSQKYIINBBPZKP-HUUCEWRRSA-N 2 2 286.416 0.426 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCOC[C@@H]1C1CCC1 ZINC000574050907 359023793 /nfs/dbraw/zinc/02/37/93/359023793.db2.gz MSQKYIINBBPZKP-HUUCEWRRSA-N 2 2 286.416 0.426 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000574050907 359023794 /nfs/dbraw/zinc/02/37/94/359023794.db2.gz MSQKYIINBBPZKP-HUUCEWRRSA-N 2 2 286.416 0.426 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000574050907 359023795 /nfs/dbraw/zinc/02/37/95/359023795.db2.gz MSQKYIINBBPZKP-HUUCEWRRSA-N 2 2 286.416 0.426 20 0 CCADLP COC(C)(C)C[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000562804348 291168169 /nfs/dbraw/zinc/16/81/69/291168169.db2.gz GWGDPHDXOQTVII-RYUDHWBXSA-N 2 2 286.420 0.474 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000562798201 291168239 /nfs/dbraw/zinc/16/82/39/291168239.db2.gz ZLEYSHUAYGCHOV-STQMWFEESA-N 2 2 298.431 0.394 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000562798201 291168240 /nfs/dbraw/zinc/16/82/40/291168240.db2.gz ZLEYSHUAYGCHOV-STQMWFEESA-N 2 2 298.431 0.394 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000579971080 359072248 /nfs/dbraw/zinc/07/22/48/359072248.db2.gz SWKRHUZDOBMIFM-LBPRGKRZSA-N 2 2 253.390 0.881 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000579971080 359072252 /nfs/dbraw/zinc/07/22/52/359072252.db2.gz SWKRHUZDOBMIFM-LBPRGKRZSA-N 2 2 253.390 0.881 20 0 CCADLP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC000580025285 359075874 /nfs/dbraw/zinc/07/58/74/359075874.db2.gz OGYUCQMOMBEPPR-OLZOCXBDSA-N 2 2 262.357 0.826 20 0 CCADLP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC000580025285 359075876 /nfs/dbraw/zinc/07/58/76/359075876.db2.gz OGYUCQMOMBEPPR-OLZOCXBDSA-N 2 2 262.357 0.826 20 0 CCADLP CN(CC[NH+](C)C)C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000580852592 359101005 /nfs/dbraw/zinc/10/10/05/359101005.db2.gz XCGDCQHXARKJFX-UHFFFAOYSA-N 2 2 279.388 0.922 20 0 CCADLP CN(C(=O)C(=O)Nc1ccc2[nH+]ccn2c1)C1CC([NH3+])C1 ZINC000579854089 359056579 /nfs/dbraw/zinc/05/65/79/359056579.db2.gz MZWDKPQNZCXXKM-UHFFFAOYSA-N 2 2 287.323 0.221 20 0 CCADLP [NH3+][C@@H](C(=O)NCC[C@H]1CCC[NH2+]1)c1cscn1 ZINC000582295873 359130966 /nfs/dbraw/zinc/13/09/66/359130966.db2.gz OJTQRRNWUXNZFR-PSASIEDQSA-N 2 2 254.359 0.401 20 0 CCADLP COC(=O)c1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)n(C)c1C ZINC000589730484 359399868 /nfs/dbraw/zinc/39/98/68/359399868.db2.gz BAWPDEMNSLXJLL-VXGBXAGGSA-N 2 2 277.368 0.771 20 0 CCADLP C[C@@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)[C@H](C)O ZINC000563012270 291181402 /nfs/dbraw/zinc/18/14/02/291181402.db2.gz VTXSGKINEGUNFU-WOPDTQHZSA-N 2 2 280.372 0.270 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000591098353 359557245 /nfs/dbraw/zinc/55/72/45/359557245.db2.gz NLZATXYPIVQIRX-GFCCVEGCSA-N 2 2 250.346 0.731 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000591098353 359557248 /nfs/dbraw/zinc/55/72/48/359557248.db2.gz NLZATXYPIVQIRX-GFCCVEGCSA-N 2 2 250.346 0.731 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)NCc2[nH+]ccn2C)C1 ZINC000590824139 359527036 /nfs/dbraw/zinc/52/70/36/359527036.db2.gz QIJMNKNRTGPAPE-GFCCVEGCSA-N 2 2 279.388 0.950 20 0 CCADLP CC(C)[N@H+]1CC[C@H](CNC(=O)NCc2[nH+]ccn2C)C1 ZINC000590824139 359527042 /nfs/dbraw/zinc/52/70/42/359527042.db2.gz QIJMNKNRTGPAPE-GFCCVEGCSA-N 2 2 279.388 0.950 20 0 CCADLP [NH3+][C@@H](C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)c1cscn1 ZINC000563087590 291190212 /nfs/dbraw/zinc/19/02/12/291190212.db2.gz WTDPRTPIZSYDSR-DGCLKSJQSA-N 2 2 280.397 0.745 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C=Cc2c[nH]c[nH+]2)C[C@H](C)O1 ZINC000492806927 237299388 /nfs/dbraw/zinc/29/93/88/237299388.db2.gz AEOKXIAQIMKHBJ-SIDSAAMKSA-N 2 2 292.383 0.991 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C=Cc2c[nH]c[nH+]2)C[C@H](C)O1 ZINC000492806927 237299395 /nfs/dbraw/zinc/29/93/95/237299395.db2.gz AEOKXIAQIMKHBJ-SIDSAAMKSA-N 2 2 292.383 0.991 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000297285133 200134848 /nfs/dbraw/zinc/13/48/48/200134848.db2.gz GXAZECXIPUPGAW-PHIMTYICSA-N 2 2 250.346 0.743 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000297285133 200134849 /nfs/dbraw/zinc/13/48/49/200134849.db2.gz GXAZECXIPUPGAW-PHIMTYICSA-N 2 2 250.346 0.743 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCN1CCSCC1 ZINC000230931874 296000996 /nfs/dbraw/zinc/00/09/96/296000996.db2.gz OADNTNAGYFPYJA-QWHCGFSZSA-N 2 2 273.446 0.392 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@]2(C)CCC[NH2+]C2)CCO1 ZINC000563198290 291204334 /nfs/dbraw/zinc/20/43/34/291204334.db2.gz NTAKHMFHOYKJSJ-GXTWGEPZSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@]2(C)CCC[NH2+]C2)CCO1 ZINC000563198290 291204336 /nfs/dbraw/zinc/20/43/36/291204336.db2.gz NTAKHMFHOYKJSJ-GXTWGEPZSA-N 2 2 269.389 0.213 20 0 CCADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC(C)C)CC[C@@H]1[NH3+] ZINC000592488272 359854826 /nfs/dbraw/zinc/85/48/26/359854826.db2.gz IWVPCYBKKQBJDL-UTUOFQBUSA-N 2 2 284.404 0.668 20 0 CCADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC(C)C)CC[C@@H]1[NH3+] ZINC000592488272 359854833 /nfs/dbraw/zinc/85/48/33/359854833.db2.gz IWVPCYBKKQBJDL-UTUOFQBUSA-N 2 2 284.404 0.668 20 0 CCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)Nc1cc[nH+]cc1O)C2 ZINC000329517039 202368458 /nfs/dbraw/zinc/36/84/58/202368458.db2.gz MZZSQFXLCGPILC-SNVBAGLBSA-N 2 2 272.308 0.915 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[N@H+](CCn2cc[nH+]c2)CCO1 ZINC000611225298 363688290 /nfs/dbraw/zinc/68/82/90/363688290.db2.gz WJHNGFFOUXXERW-LBPRGKRZSA-N 2 2 281.356 0.926 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CCn2cc[nH+]c2)CCO1 ZINC000611225298 363688293 /nfs/dbraw/zinc/68/82/93/363688293.db2.gz WJHNGFFOUXXERW-LBPRGKRZSA-N 2 2 281.356 0.926 20 0 CCADLP COC(=O)[C@H](C)C[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000592493295 359858105 /nfs/dbraw/zinc/85/81/05/359858105.db2.gz GEIVCKVXRPCZQD-MRVPVSSYSA-N 2 2 270.333 0.504 20 0 CCADLP COC(=O)[C@H](C)C[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000592493295 359858111 /nfs/dbraw/zinc/85/81/11/359858111.db2.gz GEIVCKVXRPCZQD-MRVPVSSYSA-N 2 2 270.333 0.504 20 0 CCADLP C[C@H](CC(=O)NCC[NH+]1CCOCC1)n1cc[nH+]c1 ZINC000563234593 291208127 /nfs/dbraw/zinc/20/81/27/291208127.db2.gz GQVPBAMGPKAIHA-GFCCVEGCSA-N 2 2 266.345 0.283 20 0 CCADLP C[NH+](C)CCC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC000620968182 366609499 /nfs/dbraw/zinc/60/94/99/366609499.db2.gz ZSUQNHZYUGAAHJ-CQSZACIVSA-N 2 2 294.399 0.842 20 0 CCADLP CN(C)[C@H](C(=O)NCC(C)(C)[NH+](C)C)c1c[nH+]cn1C ZINC000684828908 545746033 /nfs/dbraw/zinc/74/60/33/545746033.db2.gz CYWWDLMSJLBRRQ-LBPRGKRZSA-N 2 2 281.404 0.479 20 0 CCADLP COC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1cccs1 ZINC000593902395 360200981 /nfs/dbraw/zinc/20/09/81/360200981.db2.gz SGMFREKUUUTEIY-ONGXEEELSA-N 2 2 299.396 0.357 20 0 CCADLP C[NH+](C)Cc1ccnc(NC(=O)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000176947000 189016138 /nfs/dbraw/zinc/01/61/38/189016138.db2.gz JDCOWAWURWMLCR-LBPRGKRZSA-N 2 2 278.356 0.412 20 0 CCADLP C[NH+](C)Cc1ccnc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000176947000 189016139 /nfs/dbraw/zinc/01/61/39/189016139.db2.gz JDCOWAWURWMLCR-LBPRGKRZSA-N 2 2 278.356 0.412 20 0 CCADLP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000593907277 360204643 /nfs/dbraw/zinc/20/46/43/360204643.db2.gz JYRTVARLEACKAJ-VXGBXAGGSA-N 2 2 294.355 0.198 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)NC(=O)Cc1c[nH+]cn1C ZINC000563392439 291222275 /nfs/dbraw/zinc/22/22/75/291222275.db2.gz LDGZIAYQNGUOPG-LBPRGKRZSA-N 2 2 282.388 0.172 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](C/C=C/c3ccccc3)CCN2C1=O ZINC000594736434 360370059 /nfs/dbraw/zinc/37/00/59/360370059.db2.gz IGQMTKVMCHHNSY-HYBGQWMJSA-N 2 2 271.364 0.944 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](C/C=C/c3ccccc3)CCN2C1=O ZINC000594736434 360370063 /nfs/dbraw/zinc/37/00/63/360370063.db2.gz IGQMTKVMCHHNSY-HYBGQWMJSA-N 2 2 271.364 0.944 20 0 CCADLP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC000594749316 360375861 /nfs/dbraw/zinc/37/58/61/360375861.db2.gz OSZLZOAJRIZCGF-KGLIPLIRSA-N 2 2 266.389 0.706 20 0 CCADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000594749316 360375867 /nfs/dbraw/zinc/37/58/67/360375867.db2.gz OSZLZOAJRIZCGF-KGLIPLIRSA-N 2 2 266.389 0.706 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC2 ZINC000655924921 412700044 /nfs/dbraw/zinc/70/00/44/412700044.db2.gz STWAPNCALSYXCX-QMMMGPOBSA-N 2 2 291.277 0.606 20 0 CCADLP c1cc2n(n1)C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C3CC3)C1)CN2 ZINC000595148516 360445445 /nfs/dbraw/zinc/44/54/45/360445445.db2.gz YAHVACCTCHWCKH-NWDGAFQWSA-N 2 2 261.373 0.751 20 0 CCADLP c1cc2n(n1)C[C@@H](C[NH2+][C@@H]1CC[N@H+](C3CC3)C1)CN2 ZINC000595148516 360445447 /nfs/dbraw/zinc/44/54/47/360445447.db2.gz YAHVACCTCHWCKH-NWDGAFQWSA-N 2 2 261.373 0.751 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3cc(C4CC4)no3)CCN2C1=O ZINC000594876389 360405838 /nfs/dbraw/zinc/40/58/38/360405838.db2.gz XCXWMXUSGAYNQA-CMPLNLGQSA-N 2 2 276.340 0.296 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3cc(C4CC4)no3)CCN2C1=O ZINC000594876389 360405843 /nfs/dbraw/zinc/40/58/43/360405843.db2.gz XCXWMXUSGAYNQA-CMPLNLGQSA-N 2 2 276.340 0.296 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1)[C@H]1CCCC[NH2+]1 ZINC000423019226 299310324 /nfs/dbraw/zinc/31/03/24/299310324.db2.gz UTHBXZYBCVRSEL-IGQOVBAYSA-N 2 2 283.416 0.742 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595507479 360554689 /nfs/dbraw/zinc/55/46/89/360554689.db2.gz OJWBBGYTGQEZJN-BXUZGUMPSA-N 2 2 282.388 0.248 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595507479 360554690 /nfs/dbraw/zinc/55/46/90/360554690.db2.gz OJWBBGYTGQEZJN-BXUZGUMPSA-N 2 2 282.388 0.248 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595507479 360554692 /nfs/dbraw/zinc/55/46/92/360554692.db2.gz OJWBBGYTGQEZJN-BXUZGUMPSA-N 2 2 282.388 0.248 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595507479 360554694 /nfs/dbraw/zinc/55/46/94/360554694.db2.gz OJWBBGYTGQEZJN-BXUZGUMPSA-N 2 2 282.388 0.248 20 0 CCADLP CCOC(=O)[C@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000595893507 360693863 /nfs/dbraw/zinc/69/38/63/360693863.db2.gz RXEQLZOXWNYCDN-NWDGAFQWSA-N 2 2 256.346 0.250 20 0 CCADLP CCOC(=O)[C@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000595893507 360693866 /nfs/dbraw/zinc/69/38/66/360693866.db2.gz RXEQLZOXWNYCDN-NWDGAFQWSA-N 2 2 256.346 0.250 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+](C)CC(C)(C)[NH3+] ZINC000595904054 360698330 /nfs/dbraw/zinc/69/83/30/360698330.db2.gz XODSMUZPEWMDCW-JTQLQIEISA-N 2 2 272.393 0.526 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)[NH3+] ZINC000595904054 360698334 /nfs/dbraw/zinc/69/83/34/360698334.db2.gz XODSMUZPEWMDCW-JTQLQIEISA-N 2 2 272.393 0.526 20 0 CCADLP COC(=O)[C@@](C)(CCF)[NH2+]C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000595912005 360702197 /nfs/dbraw/zinc/70/21/97/360702197.db2.gz XOPQRTSTOBPKLE-ZYHUDNBSSA-N 2 2 274.336 0.388 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000595927016 360707828 /nfs/dbraw/zinc/70/78/28/360707828.db2.gz NAPWFQMNOZOJKJ-VXGBXAGGSA-N 2 2 285.388 0.080 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)c2ccc(C[NH3+])cc2)CCO1 ZINC000178744522 189142117 /nfs/dbraw/zinc/14/21/17/189142117.db2.gz HIMQZLQOUOXBDM-UHFFFAOYSA-N 2 2 291.395 0.986 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)c2ccc(C[NH3+])cc2)CCO1 ZINC000178744522 189142118 /nfs/dbraw/zinc/14/21/18/189142118.db2.gz HIMQZLQOUOXBDM-UHFFFAOYSA-N 2 2 291.395 0.986 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000563551479 291237747 /nfs/dbraw/zinc/23/77/47/291237747.db2.gz ZOLKGSFNRFONKN-UHFFFAOYSA-N 2 2 274.390 0.513 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000563551479 291237748 /nfs/dbraw/zinc/23/77/48/291237748.db2.gz ZOLKGSFNRFONKN-UHFFFAOYSA-N 2 2 274.390 0.513 20 0 CCADLP C[C@@H]1CCC[C@H]1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000563591296 291239482 /nfs/dbraw/zinc/23/94/82/291239482.db2.gz PLJICMWGMSJIDC-FRRDWIJNSA-N 2 2 268.405 0.707 20 0 CCADLP C[C@@H]1CCC[C@H]1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000563591296 291239483 /nfs/dbraw/zinc/23/94/83/291239483.db2.gz PLJICMWGMSJIDC-FRRDWIJNSA-N 2 2 268.405 0.707 20 0 CCADLP CSCCNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000596237821 360848251 /nfs/dbraw/zinc/84/82/51/360848251.db2.gz ZUIBNLQCUCFYIF-UHFFFAOYSA-N 2 2 276.450 0.532 20 0 CCADLP CSCCNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000596237821 360848254 /nfs/dbraw/zinc/84/82/54/360848254.db2.gz ZUIBNLQCUCFYIF-UHFFFAOYSA-N 2 2 276.450 0.532 20 0 CCADLP Cn1c2c(cccc2F)nc1N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000563647321 291245067 /nfs/dbraw/zinc/24/50/67/291245067.db2.gz KZMLQJSMOQFKFN-JTQLQIEISA-N 2 2 277.347 0.792 20 0 CCADLP Cn1c2c(cccc2F)nc1N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000563647321 291245069 /nfs/dbraw/zinc/24/50/69/291245069.db2.gz KZMLQJSMOQFKFN-JTQLQIEISA-N 2 2 277.347 0.792 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC(C2CC2)C2CC2)[C@H](C[NH3+])C1 ZINC000563798018 291250882 /nfs/dbraw/zinc/25/08/82/291250882.db2.gz HRKUBYSYBJVWOF-CYBMUJFWSA-N 2 2 280.416 0.707 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC(C2CC2)C2CC2)[C@H](C[NH3+])C1 ZINC000563798018 291250884 /nfs/dbraw/zinc/25/08/84/291250884.db2.gz HRKUBYSYBJVWOF-CYBMUJFWSA-N 2 2 280.416 0.707 20 0 CCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC000597328677 361062348 /nfs/dbraw/zinc/06/23/48/361062348.db2.gz MARTWKWNBCSAFD-LBPRGKRZSA-N 2 2 297.399 0.176 20 0 CCADLP C[C@@H](NC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)C[NH3+])c1ccccc1 ZINC000631827907 370695074 /nfs/dbraw/zinc/69/50/74/370695074.db2.gz YZSLLFFVRKGMFL-BZPMIXESSA-N 2 2 279.384 0.504 20 0 CCADLP C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])c1ccccc1 ZINC000631827907 370695078 /nfs/dbraw/zinc/69/50/78/370695078.db2.gz YZSLLFFVRKGMFL-BZPMIXESSA-N 2 2 279.384 0.504 20 0 CCADLP O=C([C@@H]1CC[NH2+]C1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000237947097 296037256 /nfs/dbraw/zinc/03/72/56/296037256.db2.gz CSHZTCHUQXISLX-ZIAGYGMSSA-N 2 2 281.400 0.309 20 0 CCADLP COCCN1CC[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000494391109 238667987 /nfs/dbraw/zinc/66/79/87/238667987.db2.gz JBOMBLPKSSJMFX-QWHCGFSZSA-N 2 2 264.373 0.508 20 0 CCADLP C[C@H](C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)[NH+]1CCN(C)CC1 ZINC000564453100 291280409 /nfs/dbraw/zinc/28/04/09/291280409.db2.gz RDQDMOYGESFTGD-LXTVHRRPSA-N 2 2 294.443 0.208 20 0 CCADLP OCCC[N@@H+]1CCC[C@H]([NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC000564453787 291280895 /nfs/dbraw/zinc/28/08/95/291280895.db2.gz ROUPSABNEDNJLG-QWRGUYRKSA-N 2 2 284.322 0.736 20 0 CCADLP OCCC[N@H+]1CCC[C@H]([NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC000564453787 291280897 /nfs/dbraw/zinc/28/08/97/291280897.db2.gz ROUPSABNEDNJLG-QWRGUYRKSA-N 2 2 284.322 0.736 20 0 CCADLP C[C@@H](C(=O)N(C)C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000564769784 291298800 /nfs/dbraw/zinc/29/88/00/291298800.db2.gz PCFYIGUUDWCWDH-JTQLQIEISA-N 2 2 251.334 0.008 20 0 CCADLP C[C@@]1(NC(=O)NCCCNc2cccc[nH+]2)CC[NH2+]C1 ZINC000612869480 364027564 /nfs/dbraw/zinc/02/75/64/364027564.db2.gz NGVMPSOMOOVNNE-CQSZACIVSA-N 2 2 277.372 0.935 20 0 CCADLP C[C@]1(NC(=O)NCc2ccn3cc[nH+]c3c2)CC[NH2+]C1 ZINC000612892418 364035107 /nfs/dbraw/zinc/03/51/07/364035107.db2.gz RJQNSEVOSLIXML-AWEZNQCLSA-N 2 2 273.340 0.886 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612970357 364058276 /nfs/dbraw/zinc/05/82/76/364058276.db2.gz NEVKMMNGRNHIEE-JTQLQIEISA-N 2 2 263.345 0.361 20 0 CCADLP COc1coc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1=O ZINC000631839770 370706330 /nfs/dbraw/zinc/70/63/30/370706330.db2.gz KPYIRGCKERPMGH-NXEZZACHSA-N 2 2 252.314 0.675 20 0 CCADLP COc1coc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1=O ZINC000631839770 370706335 /nfs/dbraw/zinc/70/63/35/370706335.db2.gz KPYIRGCKERPMGH-NXEZZACHSA-N 2 2 252.314 0.675 20 0 CCADLP C[C@@H]1C[N@H+](Cc2nnnn2Cc2ccccc2)C[C@H]1C[NH3+] ZINC000631841764 370707465 /nfs/dbraw/zinc/70/74/65/370707465.db2.gz PJQPGKRJAZOKSJ-TZMCWYRMSA-N 2 2 286.383 0.748 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2nnnn2Cc2ccccc2)C[C@H]1C[NH3+] ZINC000631841764 370707472 /nfs/dbraw/zinc/70/74/72/370707472.db2.gz PJQPGKRJAZOKSJ-TZMCWYRMSA-N 2 2 286.383 0.748 20 0 CCADLP CN(Cc1cnn(C)c1)C(=O)C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631867840 370727482 /nfs/dbraw/zinc/72/74/82/370727482.db2.gz LYLRVJDXTDEXAU-HIFRSBDPSA-N 2 2 291.399 0.110 20 0 CCADLP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)NCC1CC1 ZINC000631886053 370736087 /nfs/dbraw/zinc/73/60/87/370736087.db2.gz DQGQICVCBVPQBA-STQMWFEESA-N 2 2 251.374 0.587 20 0 CCADLP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)NCC1CC1 ZINC000631886053 370736094 /nfs/dbraw/zinc/73/60/94/370736094.db2.gz DQGQICVCBVPQBA-STQMWFEESA-N 2 2 251.374 0.587 20 0 CCADLP C[NH+](C)CC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000613324978 364215219 /nfs/dbraw/zinc/21/52/19/364215219.db2.gz BTFFFXGLFLHVLK-UHFFFAOYSA-N 2 2 290.411 0.486 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1=CC[N@H+](C)CC1 ZINC000613267399 364191359 /nfs/dbraw/zinc/19/13/59/364191359.db2.gz XERPYLQXKDLUHM-CHWSQXEVSA-N 2 2 274.368 0.902 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000613267399 364191364 /nfs/dbraw/zinc/19/13/64/364191364.db2.gz XERPYLQXKDLUHM-CHWSQXEVSA-N 2 2 274.368 0.902 20 0 CCADLP C[NH+](C)C[C@]1(O)CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000614064110 364481918 /nfs/dbraw/zinc/48/19/18/364481918.db2.gz BMIYPJZAFJLLQA-CQSZACIVSA-N 2 2 280.372 0.257 20 0 CCADLP [NH3+]CC1(CC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000564924702 291316825 /nfs/dbraw/zinc/31/68/25/291316825.db2.gz OUSBOLLRYSFHLC-CYBMUJFWSA-N 2 2 281.400 0.439 20 0 CCADLP C[C@@H](NC(=O)N1CC[NH2+]C(C)(C)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000417519590 296065819 /nfs/dbraw/zinc/06/58/19/296065819.db2.gz MTCNDKYKZOETNQ-CHWSQXEVSA-N 2 2 298.431 0.489 20 0 CCADLP COC[C@H]([NH3+])C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000564939570 291321149 /nfs/dbraw/zinc/32/11/49/291321149.db2.gz DPTGSLWGXIIJIQ-LBPRGKRZSA-N 2 2 274.324 0.667 20 0 CCADLP CC(C)[C@H](C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC000615550861 365003568 /nfs/dbraw/zinc/00/35/68/365003568.db2.gz WGHNDTICBIGBQO-LSDHHAIUSA-N 2 2 297.443 0.896 20 0 CCADLP CC(C)C[C@@H]1C(=O)NCC[N@H+]1CCn1cc[nH+]c1 ZINC000275535800 193070882 /nfs/dbraw/zinc/07/08/82/193070882.db2.gz XVQBTKWGVYITRH-GFCCVEGCSA-N 2 2 250.346 0.730 20 0 CCADLP CC(C)C[C@@H]1C(=O)NCC[N@@H+]1CCn1cc[nH+]c1 ZINC000275535800 193070883 /nfs/dbraw/zinc/07/08/83/193070883.db2.gz XVQBTKWGVYITRH-GFCCVEGCSA-N 2 2 250.346 0.730 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000616868182 365463617 /nfs/dbraw/zinc/46/36/17/365463617.db2.gz IODSQHDPCZNZCB-ZDUSSCGKSA-N 2 2 296.415 0.938 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000616868182 365463622 /nfs/dbraw/zinc/46/36/22/365463622.db2.gz IODSQHDPCZNZCB-ZDUSSCGKSA-N 2 2 296.415 0.938 20 0 CCADLP C[C@@H](CNC(=O)C1([NH+](C)C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000616696690 365430479 /nfs/dbraw/zinc/43/04/79/365430479.db2.gz GLMFNZJMIKZJMG-RWMBFGLXSA-N 2 2 283.416 0.695 20 0 CCADLP C[C@@H](CNC(=O)C1([NH+](C)C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000616696690 365430484 /nfs/dbraw/zinc/43/04/84/365430484.db2.gz GLMFNZJMIKZJMG-RWMBFGLXSA-N 2 2 283.416 0.695 20 0 CCADLP CC[NH+]1CCN([C@H](C)CNC(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000565189813 291355537 /nfs/dbraw/zinc/35/55/37/291355537.db2.gz SVNBIWVPBXLANF-CQSZACIVSA-N 2 2 296.459 0.470 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000565248570 291366870 /nfs/dbraw/zinc/36/68/70/291366870.db2.gz ADTOXRMIIFHFAS-SNVBAGLBSA-N 2 2 289.339 0.245 20 0 CCADLP CC[C@H](Nc1ccccc1)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000566200713 291374869 /nfs/dbraw/zinc/37/48/69/291374869.db2.gz XWCWTZHDYTXZEP-CABCVRRESA-N 2 2 290.411 0.978 20 0 CCADLP CC[C@H](Nc1ccccc1)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000566200713 291374871 /nfs/dbraw/zinc/37/48/71/291374871.db2.gz XWCWTZHDYTXZEP-CABCVRRESA-N 2 2 290.411 0.978 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NC[C@H]1CCCC[N@H+]1CCO ZINC000622631711 367235289 /nfs/dbraw/zinc/23/52/89/367235289.db2.gz SZFMKWQUWJTLPE-GFCCVEGCSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NC[C@H]1CCCC[N@@H+]1CCO ZINC000622631711 367235291 /nfs/dbraw/zinc/23/52/91/367235291.db2.gz SZFMKWQUWJTLPE-GFCCVEGCSA-N 2 2 280.372 0.305 20 0 CCADLP C[NH2+]CCOCCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623180378 367468903 /nfs/dbraw/zinc/46/89/03/367468903.db2.gz AZNNYUGDUUBKIF-LBPRGKRZSA-N 2 2 280.372 0.140 20 0 CCADLP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623180322 367469085 /nfs/dbraw/zinc/46/90/85/367469085.db2.gz ZYKNVYGUJKJAEF-SNVBAGLBSA-N 2 2 250.346 0.641 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)Cn1cc[nH+]c1-c1cccnc1 ZINC000656152116 412753567 /nfs/dbraw/zinc/75/35/67/412753567.db2.gz MQXZENPTUQONJO-CQSZACIVSA-N 2 2 290.367 0.884 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)Cn1cc[nH+]c1-c1cccnc1 ZINC000656152116 412753572 /nfs/dbraw/zinc/75/35/72/412753572.db2.gz MQXZENPTUQONJO-CQSZACIVSA-N 2 2 290.367 0.884 20 0 CCADLP Cn1c[nH+]cc1CC[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000623085986 367445976 /nfs/dbraw/zinc/44/59/76/367445976.db2.gz RDTFWLQEZPMWAN-UHFFFAOYSA-N 2 2 263.349 0.494 20 0 CCADLP CCn1nncc1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000623087019 367446118 /nfs/dbraw/zinc/44/61/18/367446118.db2.gz XVHDSMRCBGEQGF-UHFFFAOYSA-N 2 2 280.420 0.367 20 0 CCADLP CCn1nncc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000623087019 367446122 /nfs/dbraw/zinc/44/61/22/367446122.db2.gz XVHDSMRCBGEQGF-UHFFFAOYSA-N 2 2 280.420 0.367 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H](C)[NH2+]1 ZINC000623176148 367464425 /nfs/dbraw/zinc/46/44/25/367464425.db2.gz IHTIUFUIUOJAQR-TUAOUCFPSA-N 2 2 262.357 0.654 20 0 CCADLP [NH3+]CC(F)(F)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623177045 367465710 /nfs/dbraw/zinc/46/57/10/367465710.db2.gz FALJEQXPSVLDQY-QMMMGPOBSA-N 2 2 258.272 0.156 20 0 CCADLP C[C@@H](C(=O)N[C@H]1CCn2c[nH+]cc2C1)[NH+]1CCSCC1 ZINC000623308011 367528515 /nfs/dbraw/zinc/52/85/15/367528515.db2.gz SNMVMGJBSDGGEK-RYUDHWBXSA-N 2 2 294.424 0.751 20 0 CCADLP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623401869 367555655 /nfs/dbraw/zinc/55/56/55/367555655.db2.gz SAEAXXPJPUNQCY-AWEZNQCLSA-N 3 2 296.459 0.613 20 0 CCADLP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623401869 367555664 /nfs/dbraw/zinc/55/56/64/367555664.db2.gz SAEAXXPJPUNQCY-AWEZNQCLSA-N 3 2 296.459 0.613 20 0 CCADLP CC(C)[NH2+]CCC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000566286414 291389265 /nfs/dbraw/zinc/38/92/65/291389265.db2.gz MUOAIILDGRSPLE-GFCCVEGCSA-N 2 2 257.378 0.211 20 0 CCADLP CC(C)[NH2+]CCC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000566286414 291389267 /nfs/dbraw/zinc/38/92/67/291389267.db2.gz MUOAIILDGRSPLE-GFCCVEGCSA-N 2 2 257.378 0.211 20 0 CCADLP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623716282 367631834 /nfs/dbraw/zinc/63/18/34/367631834.db2.gz LIWDEWBBMOAZQW-STQMWFEESA-N 2 2 286.420 0.347 20 0 CCADLP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623716282 367631838 /nfs/dbraw/zinc/63/18/38/367631838.db2.gz LIWDEWBBMOAZQW-STQMWFEESA-N 2 2 286.420 0.347 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCN(C3CCC3)C2=O)n1C ZINC000623842858 367678585 /nfs/dbraw/zinc/67/85/85/367678585.db2.gz YENPDXQQQWRXAR-CYBMUJFWSA-N 2 2 291.399 0.729 20 0 CCADLP Cn1nccc1[C@H](CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000624020865 367726761 /nfs/dbraw/zinc/72/67/61/367726761.db2.gz YJMNTNABICZGBU-AGIUHOORSA-N 2 2 264.373 0.670 20 0 CCADLP Cn1nccc1[C@H](CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000624020865 367726765 /nfs/dbraw/zinc/72/67/65/367726765.db2.gz YJMNTNABICZGBU-AGIUHOORSA-N 2 2 264.373 0.670 20 0 CCADLP COc1ccc(C[C@@H](C)[NH2+]CC[N@@H+]2CC[C@@H](O)C2)cn1 ZINC000624230771 367798478 /nfs/dbraw/zinc/79/84/78/367798478.db2.gz GMJMVPINJXRYQF-TZMCWYRMSA-N 2 2 279.384 0.677 20 0 CCADLP COc1ccc(C[C@@H](C)[NH2+]CC[N@H+]2CC[C@@H](O)C2)cn1 ZINC000624230771 367798481 /nfs/dbraw/zinc/79/84/81/367798481.db2.gz GMJMVPINJXRYQF-TZMCWYRMSA-N 2 2 279.384 0.677 20 0 CCADLP C(C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)OC1CCOCC1 ZINC000625188831 368094436 /nfs/dbraw/zinc/09/44/36/368094436.db2.gz NJCXMDCSUVAIIU-HNNXBMFYSA-N 2 2 298.427 0.836 20 0 CCADLP C(C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)OC1CCOCC1 ZINC000625188831 368094438 /nfs/dbraw/zinc/09/44/38/368094438.db2.gz NJCXMDCSUVAIIU-HNNXBMFYSA-N 2 2 298.427 0.836 20 0 CCADLP C[C@@H](CNc1cc[nH+]cc1C(N)=O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656210506 412767264 /nfs/dbraw/zinc/76/72/64/412767264.db2.gz DUCWMMPLCKSKHJ-SDDRHHMPSA-N 2 2 292.383 0.512 20 0 CCADLP C[C@@H](CNc1cc[nH+]cc1C(N)=O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656210506 412767268 /nfs/dbraw/zinc/76/72/68/412767268.db2.gz DUCWMMPLCKSKHJ-SDDRHHMPSA-N 2 2 292.383 0.512 20 0 CCADLP C([C@@H]1CCCO1)[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625551245 368242964 /nfs/dbraw/zinc/24/29/64/368242964.db2.gz FNWYJFQVYUNBOD-AWEZNQCLSA-N 2 2 254.374 0.962 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)CN1CCc2[nH+]c[nH]c2C1 ZINC000625434922 368198942 /nfs/dbraw/zinc/19/89/42/368198942.db2.gz LOSGUNNFGSMQEQ-NSHDSACASA-N 2 2 252.362 0.469 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)CN1CCc2[nH+]c[nH]c2C1 ZINC000625434922 368198945 /nfs/dbraw/zinc/19/89/45/368198945.db2.gz LOSGUNNFGSMQEQ-NSHDSACASA-N 2 2 252.362 0.469 20 0 CCADLP FCCC[NH+]1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000626070887 368420941 /nfs/dbraw/zinc/42/09/41/368420941.db2.gz GTEAKCRMBNYFJK-UHFFFAOYSA-N 2 2 273.396 0.686 20 0 CCADLP CCC1([NH+]2CCOCC2)CC[NH+](CCC(=O)NC)CC1 ZINC000626087211 368435549 /nfs/dbraw/zinc/43/55/49/368435549.db2.gz GFLPFOAKSITYGJ-UHFFFAOYSA-N 2 2 283.416 0.699 20 0 CCADLP Cc1noc([C@@H]2OCC[C@@H]2[NH2+]C[C@@H](O)C[NH+]2CCCC2)n1 ZINC000626146068 368457652 /nfs/dbraw/zinc/45/76/52/368457652.db2.gz OGSJHDHIYOQMGJ-FRRDWIJNSA-N 2 2 296.371 0.254 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000626859938 368664843 /nfs/dbraw/zinc/66/48/43/368664843.db2.gz MWJWYIDMSATZDH-UHFFFAOYSA-N 2 2 250.346 0.744 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000626859938 368664851 /nfs/dbraw/zinc/66/48/51/368664851.db2.gz MWJWYIDMSATZDH-UHFFFAOYSA-N 2 2 250.346 0.744 20 0 CCADLP C[NH2+]CCOCCN(C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000626939457 368690112 /nfs/dbraw/zinc/69/01/12/368690112.db2.gz FGUNWTIBLLXIAU-LBPRGKRZSA-N 2 2 283.376 0.149 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)CCC[NH+](C)C ZINC000632169777 370903680 /nfs/dbraw/zinc/90/36/80/370903680.db2.gz FMAXLQVMWCJBMP-NWDGAFQWSA-N 2 2 277.434 0.292 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)CCC[NH+](C)C ZINC000632169777 370903684 /nfs/dbraw/zinc/90/36/84/370903684.db2.gz FMAXLQVMWCJBMP-NWDGAFQWSA-N 2 2 277.434 0.292 20 0 CCADLP Cc1cn2c([nH+]1)CN(S(=O)(=O)CCC[NH+](C)C)CC2 ZINC000632199349 370917190 /nfs/dbraw/zinc/91/71/90/370917190.db2.gz XDWVISLWUDXLAG-UHFFFAOYSA-N 2 2 286.401 0.289 20 0 CCADLP CCCC[C@H](C[NH3+])NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627079488 368777438 /nfs/dbraw/zinc/77/74/38/368777438.db2.gz JBGLSRKTSXVSSW-NEPJUHHUSA-N 2 2 272.393 0.134 20 0 CCADLP CCCC[C@H](C[NH3+])NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000627079488 368777447 /nfs/dbraw/zinc/77/74/47/368777447.db2.gz JBGLSRKTSXVSSW-NEPJUHHUSA-N 2 2 272.393 0.134 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627201931 368870928 /nfs/dbraw/zinc/87/09/28/368870928.db2.gz DRDUCIZSMHWRTA-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H](C)C[NH+](C)C)CC2 ZINC000627243733 368908453 /nfs/dbraw/zinc/90/84/53/368908453.db2.gz SUAWQQBVSSWGDL-CMPLNLGQSA-N 2 2 264.373 0.820 20 0 CCADLP C[NH2+]CCOCCNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000627177273 368850199 /nfs/dbraw/zinc/85/01/99/368850199.db2.gz GCJXACBPFCGRQR-UHFFFAOYSA-N 2 2 295.387 0.535 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000627183424 368852070 /nfs/dbraw/zinc/85/20/70/368852070.db2.gz JVPVPAHKAIGHPH-XQQFMLRXSA-N 2 2 284.404 0.086 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000627183424 368852076 /nfs/dbraw/zinc/85/20/76/368852076.db2.gz JVPVPAHKAIGHPH-XQQFMLRXSA-N 2 2 284.404 0.086 20 0 CCADLP C[NH+](C)CCn1ccc(C(=O)N2CCc3[nH]c[nH+]c3C2)n1 ZINC000627373679 368973708 /nfs/dbraw/zinc/97/37/08/368973708.db2.gz YAYBJGXHKKBIFA-UHFFFAOYSA-N 2 2 288.355 0.366 20 0 CCADLP C[NH+](C)CCn1ccc(C(=O)N2CCc3[nH+]c[nH]c3C2)n1 ZINC000627373679 368973711 /nfs/dbraw/zinc/97/37/11/368973711.db2.gz YAYBJGXHKKBIFA-UHFFFAOYSA-N 2 2 288.355 0.366 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@H]21 ZINC000627649071 369064081 /nfs/dbraw/zinc/06/40/81/369064081.db2.gz IBJQLXMBIXESQQ-CIQGVGRVSA-N 2 2 274.368 0.464 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000627931973 369138032 /nfs/dbraw/zinc/13/80/32/369138032.db2.gz HAZSRNRDEUWEPL-BPCQOVAHSA-N 2 2 267.373 0.060 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000627931973 369138038 /nfs/dbraw/zinc/13/80/38/369138038.db2.gz HAZSRNRDEUWEPL-BPCQOVAHSA-N 2 2 267.373 0.060 20 0 CCADLP Cc1c[nH]c(CN(CCO)C2CC[NH+](C)CC2)[nH+]1 ZINC000628117415 369183925 /nfs/dbraw/zinc/18/39/25/369183925.db2.gz IATKSBNPQWHAIM-UHFFFAOYSA-N 2 2 252.362 0.607 20 0 CCADLP Cn1nnnc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000330772704 203215389 /nfs/dbraw/zinc/21/53/89/203215389.db2.gz DSDBCHPOHNHGDQ-UHFFFAOYSA-N 2 2 252.366 0.374 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330809551 203262074 /nfs/dbraw/zinc/26/20/74/203262074.db2.gz KCMBPDSKBVLMBD-QMMMGPOBSA-N 2 2 265.317 0.587 20 0 CCADLP C[NH+](C)CCCCC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628916245 369454673 /nfs/dbraw/zinc/45/46/73/369454673.db2.gz HCTPQXYQCZNNLP-LBPRGKRZSA-N 2 2 257.378 0.165 20 0 CCADLP C[NH+](C)CCCCC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628916245 369454680 /nfs/dbraw/zinc/45/46/80/369454680.db2.gz HCTPQXYQCZNNLP-LBPRGKRZSA-N 2 2 257.378 0.165 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](CC(=O)NCC2CC2)CC[C@H]1C(F)(F)F ZINC000629562054 369709804 /nfs/dbraw/zinc/70/98/04/369709804.db2.gz LHBDTPBOOHCJGS-WDEREUQCSA-N 2 2 293.333 0.972 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)NCC2CC2)CC[C@H]1C(F)(F)F ZINC000629562054 369709805 /nfs/dbraw/zinc/70/98/05/369709805.db2.gz LHBDTPBOOHCJGS-WDEREUQCSA-N 2 2 293.333 0.972 20 0 CCADLP CN(C)C(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629566585 369712411 /nfs/dbraw/zinc/71/24/11/369712411.db2.gz ZSOOIEMSMYVJCL-DTWKUNHWSA-N 2 2 267.295 0.534 20 0 CCADLP CN(C)C(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629566585 369712418 /nfs/dbraw/zinc/71/24/18/369712418.db2.gz ZSOOIEMSMYVJCL-DTWKUNHWSA-N 2 2 267.295 0.534 20 0 CCADLP C[NH2+]CCOCC[N@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000629571702 369715419 /nfs/dbraw/zinc/71/54/19/369715419.db2.gz HQGKCKYHYQBYCX-UHFFFAOYSA-N 2 2 269.393 0.701 20 0 CCADLP C[NH2+]CCOCC[N@@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000629571702 369715422 /nfs/dbraw/zinc/71/54/22/369715422.db2.gz HQGKCKYHYQBYCX-UHFFFAOYSA-N 2 2 269.393 0.701 20 0 CCADLP Cc1cc([C@@H](C)[NH2+]CC2([NH3+])CCOCC2)nn1C ZINC000629519739 369689811 /nfs/dbraw/zinc/68/98/11/369689811.db2.gz HEXSCHNTNWQWCL-LLVKDONJSA-N 2 2 252.362 0.887 20 0 CCADLP C[NH2+]CCOCC[NH2+][C@H](c1ncc[nH]1)c1cccnc1 ZINC000629530365 369691681 /nfs/dbraw/zinc/69/16/81/369691681.db2.gz DTEAATUBVPEDST-ZDUSSCGKSA-N 2 2 275.356 0.720 20 0 CCADLP CCn1nnc(C)c1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000629531211 369692055 /nfs/dbraw/zinc/69/20/55/369692055.db2.gz DKVVBVFGQSVCAV-ZDUSSCGKSA-N 2 2 278.404 0.086 20 0 CCADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000629547538 369700304 /nfs/dbraw/zinc/70/03/04/369700304.db2.gz ULGRQQWQQKADIF-RDBSUJKOSA-N 2 2 283.416 0.873 20 0 CCADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000629547538 369700306 /nfs/dbraw/zinc/70/03/06/369700306.db2.gz ULGRQQWQQKADIF-RDBSUJKOSA-N 2 2 283.416 0.873 20 0 CCADLP CCO[C@@H]1C[N@H+](Cc2cncc(OC)n2)C[C@H]1C[NH3+] ZINC000629548122 369700442 /nfs/dbraw/zinc/70/04/42/369700442.db2.gz MFGXVSCUXYCLCK-ZYHUDNBSSA-N 2 2 266.345 0.281 20 0 CCADLP CCO[C@@H]1C[N@@H+](Cc2cncc(OC)n2)C[C@H]1C[NH3+] ZINC000629548122 369700444 /nfs/dbraw/zinc/70/04/44/369700444.db2.gz MFGXVSCUXYCLCK-ZYHUDNBSSA-N 2 2 266.345 0.281 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)[C@H]1CCC[NH2+]1 ZINC000629555775 369704909 /nfs/dbraw/zinc/70/49/09/369704909.db2.gz DJVYKCHHRXZALE-RAIGVLPGSA-N 2 2 251.374 0.870 20 0 CCADLP Cc1[nH+]ccn1CCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629556021 369705683 /nfs/dbraw/zinc/70/56/83/369705683.db2.gz BXRXZLAZKSGOGB-AWEZNQCLSA-N 3 2 266.389 0.628 20 0 CCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1cnc(N)s1)C2 ZINC000629667619 369750939 /nfs/dbraw/zinc/75/09/39/369750939.db2.gz QNAYLWGEYMDDBG-TXEJJXNPSA-N 2 2 252.387 0.987 20 0 CCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1cnc(N)s1)C2 ZINC000629667619 369750942 /nfs/dbraw/zinc/75/09/42/369750942.db2.gz QNAYLWGEYMDDBG-TXEJJXNPSA-N 2 2 252.387 0.987 20 0 CCADLP C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000276538905 193372367 /nfs/dbraw/zinc/37/23/67/193372367.db2.gz FZZKQNMNEGLIDU-VJTBZZIASA-N 2 2 290.367 0.602 20 0 CCADLP OC[C@H](CC(F)(F)F)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629583934 369728628 /nfs/dbraw/zinc/72/86/28/369728628.db2.gz LTEFDUIMZOCDLO-VHSXEESVSA-N 2 2 270.295 0.346 20 0 CCADLP OC[C@H](CC(F)(F)F)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629583933 369728644 /nfs/dbraw/zinc/72/86/44/369728644.db2.gz LTEFDUIMZOCDLO-UWVGGRQHSA-N 2 2 270.295 0.346 20 0 CCADLP C[C@]12C[NH2+]C[C@@]1(C)CN(CCC[NH+]1CCOCC1)C2 ZINC000629595168 369733974 /nfs/dbraw/zinc/73/39/74/369733974.db2.gz NBQSSSKBACFMLH-GASCZTMLSA-N 2 2 267.417 0.640 20 0 CCADLP C[NH2+]C1(CNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CCC1 ZINC000630002850 369886098 /nfs/dbraw/zinc/88/60/98/369886098.db2.gz LFEGWRHGPLDUMI-SNVBAGLBSA-N 2 2 262.357 0.773 20 0 CCADLP C[NH2+]C1(CNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CCC1 ZINC000630002850 369886100 /nfs/dbraw/zinc/88/61/00/369886100.db2.gz LFEGWRHGPLDUMI-SNVBAGLBSA-N 2 2 262.357 0.773 20 0 CCADLP OC[C@H]1CCCCN1c1cc(NC2CC[NH2+]CC2)[nH+]cn1 ZINC000630554419 370167152 /nfs/dbraw/zinc/16/71/52/370167152.db2.gz ZTKBJXKIQSBTQQ-CYBMUJFWSA-N 2 2 291.399 0.992 20 0 CCADLP OC[C@H]1CCCCN1c1cc(NC2CC[NH2+]CC2)nc[nH+]1 ZINC000630554419 370167159 /nfs/dbraw/zinc/16/71/59/370167159.db2.gz ZTKBJXKIQSBTQQ-CYBMUJFWSA-N 2 2 291.399 0.992 20 0 CCADLP Nc1nc(-n2cccn2)cc(N[C@H]2CC[NH2+]C23CCC3)[nH+]1 ZINC000630521382 370142707 /nfs/dbraw/zinc/14/27/07/370142707.db2.gz MWPHCIGCGDEBPF-JTQLQIEISA-N 2 2 285.355 0.771 20 0 CCADLP [NH3+][C@@H](c1cn(-c2cc[nH+]c(CO)c2)nn1)C1CCOCC1 ZINC000630593073 370195137 /nfs/dbraw/zinc/19/51/37/370195137.db2.gz FYEQKSFFAWEPCB-CQSZACIVSA-N 2 2 289.339 0.581 20 0 CCADLP Cc1nc(NCCCC[N@H+]2CCC[C@H](C)C2)nc(N)[nH+]1 ZINC000631060064 370370978 /nfs/dbraw/zinc/37/09/78/370370978.db2.gz CBHLQOUJMKCMPE-NSHDSACASA-N 2 2 278.404 0.938 20 0 CCADLP Cc1nc(NCCCC[N@@H+]2CCC[C@H](C)C2)nc(N)[nH+]1 ZINC000631060064 370370982 /nfs/dbraw/zinc/37/09/82/370370982.db2.gz CBHLQOUJMKCMPE-NSHDSACASA-N 2 2 278.404 0.938 20 0 CCADLP Cc1nc(N)nc(NCCCC[N@H+]2CCC[C@H](C)C2)[nH+]1 ZINC000631060064 370370985 /nfs/dbraw/zinc/37/09/85/370370985.db2.gz CBHLQOUJMKCMPE-NSHDSACASA-N 2 2 278.404 0.938 20 0 CCADLP Cc1nc(N)nc(NCCCC[N@@H+]2CCC[C@H](C)C2)[nH+]1 ZINC000631060064 370370989 /nfs/dbraw/zinc/37/09/89/370370989.db2.gz CBHLQOUJMKCMPE-NSHDSACASA-N 2 2 278.404 0.938 20 0 CCADLP Cc1nc(NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)nc(N)[nH+]1 ZINC000631060037 370371127 /nfs/dbraw/zinc/37/11/27/370371127.db2.gz BNIFBNORRGMYDE-QWRGUYRKSA-N 2 2 278.404 0.794 20 0 CCADLP Cc1nc(N)nc(NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)[nH+]1 ZINC000631060037 370371130 /nfs/dbraw/zinc/37/11/30/370371130.db2.gz BNIFBNORRGMYDE-QWRGUYRKSA-N 2 2 278.404 0.794 20 0 CCADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)C1 ZINC000631067953 370375165 /nfs/dbraw/zinc/37/51/65/370375165.db2.gz CESCIABQOCMYSC-KBPBESRZSA-N 2 2 293.415 0.746 20 0 CCADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)C1 ZINC000631067953 370375170 /nfs/dbraw/zinc/37/51/70/370375170.db2.gz CESCIABQOCMYSC-KBPBESRZSA-N 2 2 293.415 0.746 20 0 CCADLP C[N@@H+]1CCO[C@H](CNc2[nH+]c(C3CC3)nc3[nH]ccc32)C1 ZINC000631082926 370379357 /nfs/dbraw/zinc/37/93/57/370379357.db2.gz JMDXXLOSWVYEPO-LLVKDONJSA-N 2 2 287.367 1.000 20 0 CCADLP C[N@H+]1CCO[C@H](CNc2[nH+]c(C3CC3)nc3[nH]ccc32)C1 ZINC000631082926 370379365 /nfs/dbraw/zinc/37/93/65/370379365.db2.gz JMDXXLOSWVYEPO-LLVKDONJSA-N 2 2 287.367 1.000 20 0 CCADLP Cc1nc(NCC[C@@H](C)[NH+]2CCCCC2)nc(N)[nH+]1 ZINC000631207969 370422592 /nfs/dbraw/zinc/42/25/92/370422592.db2.gz MBYPLGQTFAYTHP-SNVBAGLBSA-N 2 2 264.377 0.691 20 0 CCADLP Cc1nc(N)nc(NCC[C@@H](C)[NH+]2CCCCC2)[nH+]1 ZINC000631207969 370422597 /nfs/dbraw/zinc/42/25/97/370422597.db2.gz MBYPLGQTFAYTHP-SNVBAGLBSA-N 2 2 264.377 0.691 20 0 CCADLP Cc1nc(NC[C@@H]2CC[N@@H+](CC(C)C)C2)nc(N)[nH+]1 ZINC000631162317 370407548 /nfs/dbraw/zinc/40/75/48/370407548.db2.gz VFLFUCRNOUERQM-NSHDSACASA-N 2 2 264.377 0.404 20 0 CCADLP Cc1nc(NC[C@@H]2CC[N@H+](CC(C)C)C2)nc(N)[nH+]1 ZINC000631162317 370407554 /nfs/dbraw/zinc/40/75/54/370407554.db2.gz VFLFUCRNOUERQM-NSHDSACASA-N 2 2 264.377 0.404 20 0 CCADLP Cc1nc(N)nc(NC[C@@H]2CC[N@@H+](CC(C)C)C2)[nH+]1 ZINC000631162317 370407561 /nfs/dbraw/zinc/40/75/61/370407561.db2.gz VFLFUCRNOUERQM-NSHDSACASA-N 2 2 264.377 0.404 20 0 CCADLP Cc1nc(N)nc(NC[C@@H]2CC[N@H+](CC(C)C)C2)[nH+]1 ZINC000631162317 370407563 /nfs/dbraw/zinc/40/75/63/370407563.db2.gz VFLFUCRNOUERQM-NSHDSACASA-N 2 2 264.377 0.404 20 0 CCADLP Cc1nocc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000631258835 370442258 /nfs/dbraw/zinc/44/22/58/370442258.db2.gz ZATYUTHXZGZVKN-LBPRGKRZSA-N 2 2 292.383 0.881 20 0 CCADLP Cc1nocc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000631258835 370442261 /nfs/dbraw/zinc/44/22/61/370442261.db2.gz ZATYUTHXZGZVKN-LBPRGKRZSA-N 2 2 292.383 0.881 20 0 CCADLP [NH3+][C@H](C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)c1cscn1 ZINC000567669513 291499271 /nfs/dbraw/zinc/49/92/71/291499271.db2.gz UNCDXSXNGSIQHB-KBIXCLLPSA-N 2 2 266.370 0.339 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@](O)(CC)C2)CC1 ZINC000640030324 376201176 /nfs/dbraw/zinc/20/11/76/376201176.db2.gz GLWBVLZTEGYQGG-HOCLYGCPSA-N 2 2 297.443 0.776 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@](O)(CC)C2)CC1 ZINC000640030324 376201184 /nfs/dbraw/zinc/20/11/84/376201184.db2.gz GLWBVLZTEGYQGG-HOCLYGCPSA-N 2 2 297.443 0.776 20 0 CCADLP Cc1cc(N2CCC[C@@](O)(C[NH+](C)C)C2)nc[nH+]1 ZINC000631343817 370484640 /nfs/dbraw/zinc/48/46/40/370484640.db2.gz HXIUSBSPGYIVEX-CYBMUJFWSA-N 2 2 250.346 0.678 20 0 CCADLP O=C(Nc1cc[nH+]cc1O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000567802118 291515610 /nfs/dbraw/zinc/51/56/10/291515610.db2.gz YZLJXUFICTVPQN-NSHDSACASA-N 2 2 287.323 0.582 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633032291 371368086 /nfs/dbraw/zinc/36/80/86/371368086.db2.gz GJNARMQQTDIYAI-GFCCVEGCSA-N 2 2 295.387 0.662 20 0 CCADLP C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)C1([NH+]2CCOCC2)CC1 ZINC000633202187 371436855 /nfs/dbraw/zinc/43/68/55/371436855.db2.gz SBFSJSOESCZFRF-STQMWFEESA-N 2 2 281.400 0.402 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)[C@H](C)O1 ZINC000633616066 371632225 /nfs/dbraw/zinc/63/22/25/371632225.db2.gz DGYHHOXIYCHJAU-HZSPNIEDSA-N 2 2 285.432 0.800 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)[C@H](C)O1 ZINC000633616066 371632236 /nfs/dbraw/zinc/63/22/36/371632236.db2.gz DGYHHOXIYCHJAU-HZSPNIEDSA-N 2 2 285.432 0.800 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000567869447 291528186 /nfs/dbraw/zinc/52/81/86/291528186.db2.gz NABLOOSAJSUYFT-GXTWGEPZSA-N 2 2 296.415 0.243 20 0 CCADLP C[NH+](C)[C@]1(C[NH2+][C@H]2CCNC(=O)CC2)CCSC1 ZINC000634967378 372318944 /nfs/dbraw/zinc/31/89/44/372318944.db2.gz MIFHTUWAVXKQCZ-YPMHNXCESA-N 2 2 271.430 0.682 20 0 CCADLP O=C1CC[C@@H]([NH2+][C@@H]2CCC[N@@H+](CCCO)C2)CCN1 ZINC000634982712 372322078 /nfs/dbraw/zinc/32/20/78/372322078.db2.gz SMOZRYWXGXGZIR-CHWSQXEVSA-N 2 2 269.389 0.092 20 0 CCADLP O=C1CC[C@@H]([NH2+][C@@H]2CCC[N@H+](CCCO)C2)CCN1 ZINC000634982712 372322086 /nfs/dbraw/zinc/32/20/86/372322086.db2.gz SMOZRYWXGXGZIR-CHWSQXEVSA-N 2 2 269.389 0.092 20 0 CCADLP C([N@@H+]1CCS[C@@H]2COCC[C@H]21)C12CC(C1)C[NH2+]2 ZINC000634993120 372328894 /nfs/dbraw/zinc/32/88/94/372328894.db2.gz LQMADEMKQIDQFA-QZQSVVMZSA-N 2 2 254.399 0.945 20 0 CCADLP C([N@H+]1CCS[C@@H]2COCC[C@H]21)C12CC(C1)C[NH2+]2 ZINC000634993120 372328897 /nfs/dbraw/zinc/32/88/97/372328897.db2.gz LQMADEMKQIDQFA-QZQSVVMZSA-N 2 2 254.399 0.945 20 0 CCADLP CC(C)[C@@H](C[NH3+])C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000634993669 372329441 /nfs/dbraw/zinc/32/94/41/372329441.db2.gz BHVYMDJZRRRNRI-UONOGXRCSA-N 3 2 282.432 0.114 20 0 CCADLP CC(C)[C@@H](C[NH3+])C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000634993669 372329447 /nfs/dbraw/zinc/32/94/47/372329447.db2.gz BHVYMDJZRRRNRI-UONOGXRCSA-N 3 2 282.432 0.114 20 0 CCADLP FC(F)(F)[C@@H](C[NH2+]CC12CC(C1)C[NH2+]2)N1CC[NH2+]CC1 ZINC000634996119 372333253 /nfs/dbraw/zinc/33/32/53/372333253.db2.gz ZSOIIGVZLXJFIX-MOENNCHZSA-N 3 2 292.349 0.164 20 0 CCADLP C[C@@H]1C[N@H+](Cc2nc3c(s2)C[NH2+]CC3)C[C@H]1C[NH3+] ZINC000634998129 372334567 /nfs/dbraw/zinc/33/45/67/372334567.db2.gz BBUAIZRDKKZOQA-NXEZZACHSA-N 3 2 266.414 0.815 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2nc3c(s2)C[NH2+]CC3)C[C@H]1C[NH3+] ZINC000634998129 372334575 /nfs/dbraw/zinc/33/45/75/372334575.db2.gz BBUAIZRDKKZOQA-NXEZZACHSA-N 3 2 266.414 0.815 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004527 372340501 /nfs/dbraw/zinc/34/05/01/372340501.db2.gz IUOOUZJZRPNTAV-AAVRWANBSA-N 3 2 255.406 0.861 20 0 CCADLP C[NH+]1CCN(C(=O)[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635056836 372358201 /nfs/dbraw/zinc/35/82/01/372358201.db2.gz LKNZYXUTAWYNRI-CYBMUJFWSA-N 2 2 251.374 0.777 20 0 CCADLP C[NH+]1CCN(C(=O)[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635056836 372358205 /nfs/dbraw/zinc/35/82/05/372358205.db2.gz LKNZYXUTAWYNRI-CYBMUJFWSA-N 2 2 251.374 0.777 20 0 CCADLP C[C@H](C(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[NH+](C)C ZINC000635241053 372422673 /nfs/dbraw/zinc/42/26/73/372422673.db2.gz RISNUJWBCUDHPW-GFCCVEGCSA-N 2 2 292.383 0.485 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@@H]2CC[N@H+](C)C2)[nH+]1 ZINC000635400770 372491262 /nfs/dbraw/zinc/49/12/62/372491262.db2.gz YOHNKGPARVICBW-JTQLQIEISA-N 2 2 250.346 0.583 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@@H]2CC[N@@H+](C)C2)[nH+]1 ZINC000635400770 372491264 /nfs/dbraw/zinc/49/12/64/372491264.db2.gz YOHNKGPARVICBW-JTQLQIEISA-N 2 2 250.346 0.583 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCCC[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000567983197 291543517 /nfs/dbraw/zinc/54/35/17/291543517.db2.gz XXTQYCIFSURUGD-ILXRZTDVSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@@H+]1CC[C@H](CC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000635494398 372557961 /nfs/dbraw/zinc/55/79/61/372557961.db2.gz HTZOZTMHWFTPHL-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP C[N@H+]1CC[C@H](CC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000635494398 372557970 /nfs/dbraw/zinc/55/79/70/372557970.db2.gz HTZOZTMHWFTPHL-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP C[NH+]1CC[C@H](CC(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000635494398 372557972 /nfs/dbraw/zinc/55/79/72/372557972.db2.gz HTZOZTMHWFTPHL-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP C[NH+]1CC[C@H](CC(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000635494398 372557978 /nfs/dbraw/zinc/55/79/78/372557978.db2.gz HTZOZTMHWFTPHL-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@H](C(=O)NCC[N@@H+]1CCOCC1(C)C)[NH+](C)C ZINC000635495266 372560388 /nfs/dbraw/zinc/56/03/88/372560388.db2.gz QFAIEWRJCRNABH-LLVKDONJSA-N 2 2 257.378 0.164 20 0 CCADLP C[C@H](C(=O)NCC[N@H+]1CCOCC1(C)C)[NH+](C)C ZINC000635495266 372560397 /nfs/dbraw/zinc/56/03/97/372560397.db2.gz QFAIEWRJCRNABH-LLVKDONJSA-N 2 2 257.378 0.164 20 0 CCADLP C[C@@H](NC(=O)[C@@H](C)[NH+](C)C)[C@@H](C)[NH+]1CCOCC1 ZINC000635505627 372570599 /nfs/dbraw/zinc/57/05/99/372570599.db2.gz ADTZTBMXVWCXJD-IJLUTSLNSA-N 2 2 257.378 0.162 20 0 CCADLP CC1(C)C[NH2+]CC[C@H](NC(=O)NCCn2cc[nH+]c2)C1 ZINC000635527542 372590662 /nfs/dbraw/zinc/59/06/62/372590662.db2.gz JIURCDGOXONZCY-LBPRGKRZSA-N 2 2 279.388 0.961 20 0 CCADLP Cc1nc[nH]c1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000635552371 372617313 /nfs/dbraw/zinc/61/73/13/372617313.db2.gz URZGUKABSSKLFU-LBPRGKRZSA-N 2 2 291.399 0.616 20 0 CCADLP Cc1nc[nH]c1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000635552371 372617317 /nfs/dbraw/zinc/61/73/17/372617317.db2.gz URZGUKABSSKLFU-LBPRGKRZSA-N 2 2 291.399 0.616 20 0 CCADLP C[NH+](C)CC1(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000635617463 372691333 /nfs/dbraw/zinc/69/13/33/372691333.db2.gz GANPASPFPGMYBH-CQSZACIVSA-N 2 2 295.427 0.651 20 0 CCADLP Cc1nc[nH]c1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000635670772 372746408 /nfs/dbraw/zinc/74/64/08/372746408.db2.gz WTGLRMPUXOLANP-UHFFFAOYSA-N 2 2 279.388 0.474 20 0 CCADLP C[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[NH+](C)C ZINC000635696166 372776625 /nfs/dbraw/zinc/77/66/25/372776625.db2.gz WQTGQRLNRFEGMV-MGPQQGTHSA-N 2 2 283.416 0.696 20 0 CCADLP CC(C)(CNC(=O)N[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000333157095 205076293 /nfs/dbraw/zinc/07/62/93/205076293.db2.gz FVPHCZKVXRBIOD-GFCCVEGCSA-N 2 2 284.404 0.148 20 0 CCADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)C(=O)NC[C@H]1CCCO1 ZINC000333192765 205106505 /nfs/dbraw/zinc/10/65/05/205106505.db2.gz AHDYLBKEQIBNNC-MBJXGIAVSA-N 2 2 283.416 0.646 20 0 CCADLP C[NH+](C)CCOCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635773189 372889451 /nfs/dbraw/zinc/88/94/51/372889451.db2.gz XPCLHXZATDMSAI-GHMZBOCLSA-N 2 2 266.345 0.208 20 0 CCADLP C[NH+](C)CCOCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635773189 372889459 /nfs/dbraw/zinc/88/94/59/372889459.db2.gz XPCLHXZATDMSAI-GHMZBOCLSA-N 2 2 266.345 0.208 20 0 CCADLP CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000333311553 205209027 /nfs/dbraw/zinc/20/90/27/205209027.db2.gz RWSDCIRFNOJDTH-JHJVBQTASA-N 2 2 268.405 0.910 20 0 CCADLP CC[N@H+](CCO)CCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000635810768 372940632 /nfs/dbraw/zinc/94/06/32/372940632.db2.gz ZQFXZEMCZGWGNZ-CQSZACIVSA-N 2 2 296.415 0.901 20 0 CCADLP CC[N@@H+](CCO)CCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000635810768 372940641 /nfs/dbraw/zinc/94/06/41/372940641.db2.gz ZQFXZEMCZGWGNZ-CQSZACIVSA-N 2 2 296.415 0.901 20 0 CCADLP C[NH+](C)CC1(C(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000635860241 373015951 /nfs/dbraw/zinc/01/59/51/373015951.db2.gz ZORGKTOCRGHMLD-UHFFFAOYSA-N 2 2 281.400 0.309 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635919565 373104605 /nfs/dbraw/zinc/10/46/05/373104605.db2.gz KOJUXHJBARHZMU-ILXRZTDVSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635919565 373104615 /nfs/dbraw/zinc/10/46/15/373104615.db2.gz KOJUXHJBARHZMU-ILXRZTDVSA-N 2 2 295.427 0.650 20 0 CCADLP O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635987687 373210523 /nfs/dbraw/zinc/21/05/23/373210523.db2.gz XNNXSUUHUUWQNN-SMDDNHRTSA-N 2 2 274.368 0.941 20 0 CCADLP O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635987687 373210525 /nfs/dbraw/zinc/21/05/25/373210525.db2.gz XNNXSUUHUUWQNN-SMDDNHRTSA-N 2 2 274.368 0.941 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@H]2CCCC[N@@H+]2CCO)[nH+]1 ZINC000635976521 373191326 /nfs/dbraw/zinc/19/13/26/373191326.db2.gz JRTUBGRLGZJOCM-CYBMUJFWSA-N 2 2 294.399 0.478 20 0 CCADLP O=C(NC[C@@H]1CCCC[N@H+]1CCO)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635977110 373191827 /nfs/dbraw/zinc/19/18/27/373191827.db2.gz VCQWAPOMRWRMDL-YNEHKIRRSA-N 2 2 292.383 0.476 20 0 CCADLP O=C(NC[C@@H]1CCCC[N@@H+]1CCO)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635977110 373191828 /nfs/dbraw/zinc/19/18/28/373191828.db2.gz VCQWAPOMRWRMDL-YNEHKIRRSA-N 2 2 292.383 0.476 20 0 CCADLP CCc1c[nH]c(CC(=O)NCC[C@H](C)[NH+](C)C)[nH+]1 ZINC000636171641 373425833 /nfs/dbraw/zinc/42/58/33/373425833.db2.gz NVZQCFYCAQBVFX-JTQLQIEISA-N 2 2 252.362 0.971 20 0 CCADLP O=C([C@@H]1CC[NH+]1C1CCCC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000636126271 373385442 /nfs/dbraw/zinc/38/54/42/373385442.db2.gz YMIFQZMRUABOHS-CABCVRRESA-N 2 2 293.411 0.281 20 0 CCADLP O=C([C@@H]1CC[NH+]1C1CCCC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000636126271 373385446 /nfs/dbraw/zinc/38/54/46/373385446.db2.gz YMIFQZMRUABOHS-CABCVRRESA-N 2 2 293.411 0.281 20 0 CCADLP O=C([C@@H]1CC[N@@H+]1C1CCCC1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000636126271 373385454 /nfs/dbraw/zinc/38/54/54/373385454.db2.gz YMIFQZMRUABOHS-CABCVRRESA-N 2 2 293.411 0.281 20 0 CCADLP O=C([C@@H]1CC[N@H+]1C1CCCC1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000636126271 373385459 /nfs/dbraw/zinc/38/54/59/373385459.db2.gz YMIFQZMRUABOHS-CABCVRRESA-N 2 2 293.411 0.281 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC000636171960 373429510 /nfs/dbraw/zinc/42/95/10/373429510.db2.gz RBCITCISSALJPW-CQSZACIVSA-N 3 2 284.448 0.328 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC000636171960 373429517 /nfs/dbraw/zinc/42/95/17/373429517.db2.gz RBCITCISSALJPW-CQSZACIVSA-N 3 2 284.448 0.328 20 0 CCADLP C[NH+](C)CCC[NH+](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000636171960 373429526 /nfs/dbraw/zinc/42/95/26/373429526.db2.gz RBCITCISSALJPW-CQSZACIVSA-N 3 2 284.448 0.328 20 0 CCADLP C[NH+](C)CCC[NH+](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000636171960 373429533 /nfs/dbraw/zinc/42/95/33/373429533.db2.gz RBCITCISSALJPW-CQSZACIVSA-N 3 2 284.448 0.328 20 0 CCADLP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636580953 373655143 /nfs/dbraw/zinc/65/51/43/373655143.db2.gz QXBFGSIZJLAELN-NEPJUHHUSA-N 2 2 289.383 0.591 20 0 CCADLP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636580953 373655148 /nfs/dbraw/zinc/65/51/48/373655148.db2.gz QXBFGSIZJLAELN-NEPJUHHUSA-N 2 2 289.383 0.591 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636767745 373747735 /nfs/dbraw/zinc/74/77/35/373747735.db2.gz UQNYNFKWGOVQQP-STQMWFEESA-N 2 2 291.399 0.981 20 0 CCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636767745 373747740 /nfs/dbraw/zinc/74/77/40/373747740.db2.gz UQNYNFKWGOVQQP-STQMWFEESA-N 2 2 291.399 0.981 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637152825 373962049 /nfs/dbraw/zinc/96/20/49/373962049.db2.gz UPXCXPGVENMKLS-RYUDHWBXSA-N 2 2 279.388 0.836 20 0 CCADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637152825 373962056 /nfs/dbraw/zinc/96/20/56/373962056.db2.gz UPXCXPGVENMKLS-RYUDHWBXSA-N 2 2 279.388 0.836 20 0 CCADLP CN(CC[N@H+](C)C1CC1)C(=O)NC[C@@H]1COCC[NH+]1C ZINC000637444861 374169598 /nfs/dbraw/zinc/16/95/98/374169598.db2.gz WAZICNLAONDXON-CYBMUJFWSA-N 2 2 284.404 0.053 20 0 CCADLP CN(CC[N@@H+](C)C1CC1)C(=O)NC[C@@H]1COCC[NH+]1C ZINC000637444861 374169602 /nfs/dbraw/zinc/16/96/02/374169602.db2.gz WAZICNLAONDXON-CYBMUJFWSA-N 2 2 284.404 0.053 20 0 CCADLP CN(CC[NH+](C)C1CC1)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637444861 374169609 /nfs/dbraw/zinc/16/96/09/374169609.db2.gz WAZICNLAONDXON-CYBMUJFWSA-N 2 2 284.404 0.053 20 0 CCADLP CN(CC[NH+](C)C1CC1)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637444861 374169614 /nfs/dbraw/zinc/16/96/14/374169614.db2.gz WAZICNLAONDXON-CYBMUJFWSA-N 2 2 284.404 0.053 20 0 CCADLP C/C=C/CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000637483816 374193176 /nfs/dbraw/zinc/19/31/76/374193176.db2.gz RMHJIBHUSXDHOJ-AATRIKPKSA-N 2 2 256.394 0.745 20 0 CCADLP C/C=C/CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000637483816 374193180 /nfs/dbraw/zinc/19/31/80/374193180.db2.gz RMHJIBHUSXDHOJ-AATRIKPKSA-N 2 2 256.394 0.745 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)NCC[NH+]1CCOCC1 ZINC000656538557 412818922 /nfs/dbraw/zinc/81/89/22/412818922.db2.gz YBGQCDXEKSEXCC-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H](CCNC(=O)N[C@@H](C)Cn1cc[nH+]c1)[NH+](C)C ZINC000656543074 412821398 /nfs/dbraw/zinc/82/13/98/412821398.db2.gz OEQVOKDELKCABI-NWDGAFQWSA-N 2 2 267.377 0.911 20 0 CCADLP C[NH+](C)C[C@@H]1CN(Cc2cc3c(c[nH+]2)OCCO3)CCO1 ZINC000637819619 374356596 /nfs/dbraw/zinc/35/65/96/374356596.db2.gz JJWIREAMESQODB-CYBMUJFWSA-N 2 2 293.367 0.615 20 0 CCADLP CCn1cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cn1 ZINC000656542426 412821178 /nfs/dbraw/zinc/82/11/78/412821178.db2.gz GSVNWRKTGHOAAN-UHFFFAOYSA-N 2 2 296.419 0.908 20 0 CCADLP CCn1cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000656542426 412821181 /nfs/dbraw/zinc/82/11/81/412821181.db2.gz GSVNWRKTGHOAAN-UHFFFAOYSA-N 2 2 296.419 0.908 20 0 CCADLP Cc1csc(=O)n1CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000334144415 206069743 /nfs/dbraw/zinc/06/97/43/206069743.db2.gz YCLIBQBTQJANHC-NEPJUHHUSA-N 2 2 267.398 0.760 20 0 CCADLP Cc1csc(=O)n1CC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000334144415 206069747 /nfs/dbraw/zinc/06/97/47/206069747.db2.gz YCLIBQBTQJANHC-NEPJUHHUSA-N 2 2 267.398 0.760 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)[nH+]1 ZINC000637849922 374405641 /nfs/dbraw/zinc/40/56/41/374405641.db2.gz SWAFDECHEBGVHQ-MWLCHTKSSA-N 2 2 250.346 0.710 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccsc2)[C@H](C[NH3+])C1 ZINC000637864792 374427650 /nfs/dbraw/zinc/42/76/50/374427650.db2.gz XTNWTNUCSDJXKN-FRRDWIJNSA-N 2 2 279.409 0.953 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccsc2)[C@H](C[NH3+])C1 ZINC000637864792 374427656 /nfs/dbraw/zinc/42/76/56/374427656.db2.gz XTNWTNUCSDJXKN-FRRDWIJNSA-N 2 2 279.409 0.953 20 0 CCADLP Cc1cn2ccc(C(=O)N3CCO[C@H]([C@H](C)[NH3+])C3)cc2[nH+]1 ZINC000637865456 374429529 /nfs/dbraw/zinc/42/95/29/374429529.db2.gz FNCUDXGJPWUUAF-AAEUAGOBSA-N 2 2 288.351 0.831 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000638051688 374593299 /nfs/dbraw/zinc/59/32/99/374593299.db2.gz OOIZGNYRNKRHSN-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@]1(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C[NH2+]CCO1 ZINC000638075122 374631251 /nfs/dbraw/zinc/63/12/51/374631251.db2.gz CDEQEVMGVGXDML-BXUZGUMPSA-N 2 2 278.356 0.494 20 0 CCADLP [NH3+][C@@H]1CCO[C@@H]1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000638060120 374605810 /nfs/dbraw/zinc/60/58/10/374605810.db2.gz KSEUILQXLVGBQG-OCCSQVGLSA-N 2 2 290.367 0.414 20 0 CCADLP COc1cc[nH+]cc1NC(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638091509 374652552 /nfs/dbraw/zinc/65/25/52/374652552.db2.gz WUNPZRFLIXCXLK-NOZJJQNGSA-N 2 2 265.313 0.796 20 0 CCADLP Cc1cn2cc(NC(=O)CN3CC[NH2+]CC3)ccc2[nH+]1 ZINC000638096926 374659918 /nfs/dbraw/zinc/65/99/18/374659918.db2.gz NYAGETAWYSVYIC-UHFFFAOYSA-N 2 2 273.340 0.486 20 0 CCADLP CC[N@@H+]1CC[C@@H](N(C)Cc2c[nH+]c(N)nc2N)C[C@@H]1C ZINC000638111078 374678991 /nfs/dbraw/zinc/67/89/91/374678991.db2.gz QOCAAUHXQYFYBG-CMPLNLGQSA-N 2 2 278.404 0.606 20 0 CCADLP CC[N@H+]1CC[C@@H](N(C)Cc2c[nH+]c(N)nc2N)C[C@@H]1C ZINC000638111078 374678994 /nfs/dbraw/zinc/67/89/94/374678994.db2.gz QOCAAUHXQYFYBG-CMPLNLGQSA-N 2 2 278.404 0.606 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(N)nc2N)C[C@@H]1C ZINC000638111078 374678998 /nfs/dbraw/zinc/67/89/98/374678998.db2.gz QOCAAUHXQYFYBG-CMPLNLGQSA-N 2 2 278.404 0.606 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(N)nc2N)C[C@@H]1C ZINC000638111078 374679002 /nfs/dbraw/zinc/67/90/02/374679002.db2.gz QOCAAUHXQYFYBG-CMPLNLGQSA-N 2 2 278.404 0.606 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(N)nc2N)C[C@@H]1C ZINC000638111078 374679004 /nfs/dbraw/zinc/67/90/04/374679004.db2.gz QOCAAUHXQYFYBG-CMPLNLGQSA-N 2 2 278.404 0.606 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(N)nc2N)C[C@@H]1C ZINC000638111078 374679008 /nfs/dbraw/zinc/67/90/08/374679008.db2.gz QOCAAUHXQYFYBG-CMPLNLGQSA-N 2 2 278.404 0.606 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(N)nc2N)[C@H](C)C1 ZINC000638113900 374679570 /nfs/dbraw/zinc/67/95/70/374679570.db2.gz QROYSBWIVUHTDC-ZYHUDNBSSA-N 2 2 278.404 0.464 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(N)nc2N)[C@H](C)C1 ZINC000638113900 374679579 /nfs/dbraw/zinc/67/95/79/374679579.db2.gz QROYSBWIVUHTDC-ZYHUDNBSSA-N 2 2 278.404 0.464 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(N)nc2N)[C@H](C)C1 ZINC000638113900 374679584 /nfs/dbraw/zinc/67/95/84/374679584.db2.gz QROYSBWIVUHTDC-ZYHUDNBSSA-N 2 2 278.404 0.464 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(N)nc2N)[C@H](C)C1 ZINC000638113900 374679592 /nfs/dbraw/zinc/67/95/92/374679592.db2.gz QROYSBWIVUHTDC-ZYHUDNBSSA-N 2 2 278.404 0.464 20 0 CCADLP [NH3+][C@@H]1CC=C(C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000638119055 374687348 /nfs/dbraw/zinc/68/73/48/374687348.db2.gz HRNLECCATYYSJX-GFCCVEGCSA-N 2 2 256.309 0.998 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000638234583 374827188 /nfs/dbraw/zinc/82/71/88/374827188.db2.gz NUWHADYQOSWOBA-AWEZNQCLSA-N 2 2 262.357 0.863 20 0 CCADLP C[NH+](C)CCC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638289513 374896786 /nfs/dbraw/zinc/89/67/86/374896786.db2.gz QTJDINLYMBSNLY-UHFFFAOYSA-N 3 2 257.422 0.763 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000638328868 374928894 /nfs/dbraw/zinc/92/88/94/374928894.db2.gz LQKRQCKRHULZEW-CQSZACIVSA-N 2 2 285.351 0.829 20 0 CCADLP C[NH+](C)[C@H](CNCc1c[nH+]c(N)nc1N)C1CCCCC1 ZINC000638373660 374969815 /nfs/dbraw/zinc/96/98/15/374969815.db2.gz HKTQGSLASKCLMI-CYBMUJFWSA-N 2 2 292.431 0.902 20 0 CCADLP C[C@@H]1CCC[C@](CNCc2c[nH+]c(N)nc2N)([NH+](C)C)C1 ZINC000638411709 375009247 /nfs/dbraw/zinc/00/92/47/375009247.db2.gz PNLTTYYBMSSZQC-ABAIWWIYSA-N 2 2 292.431 0.902 20 0 CCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)CCn1cc[nH+]c1 ZINC000638487884 375079896 /nfs/dbraw/zinc/07/98/96/375079896.db2.gz BSXWCONDWIKXDB-GFCCVEGCSA-N 2 2 250.346 0.730 20 0 CCADLP O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CCc2[nH+]ccn2C1 ZINC000638507462 375097146 /nfs/dbraw/zinc/09/71/46/375097146.db2.gz IIJJIBWKVPZTTC-NWDGAFQWSA-N 2 2 274.368 0.846 20 0 CCADLP [NH3+][C@@H](C(=O)NCC1([NH3+])CCOCC1)c1c(F)cccc1F ZINC000638539774 375127598 /nfs/dbraw/zinc/12/75/98/375127598.db2.gz JDWNTFMFYXEAJI-GFCCVEGCSA-N 2 2 299.321 0.589 20 0 CCADLP Cc1cnc(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)o1 ZINC000638553498 375139209 /nfs/dbraw/zinc/13/92/09/375139209.db2.gz SMZJJQMKLTWCSU-LBPRGKRZSA-N 2 2 266.389 0.956 20 0 CCADLP CO[C@]1(C[NH2+][C@H]2CC[N@H+](CC3CC3)C2)CCOC1 ZINC000638583276 375164378 /nfs/dbraw/zinc/16/43/78/375164378.db2.gz YSTURVCIGMPCCT-KBPBESRZSA-N 2 2 254.374 0.866 20 0 CCADLP CO[C@]1(C[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)CCOC1 ZINC000638583276 375164383 /nfs/dbraw/zinc/16/43/83/375164383.db2.gz YSTURVCIGMPCCT-KBPBESRZSA-N 2 2 254.374 0.866 20 0 CCADLP CO[C@H](C[NH2+]C[C@H]1C[N@H+](C)CCN1C)C1CCOCC1 ZINC000638596278 375177437 /nfs/dbraw/zinc/17/74/37/375177437.db2.gz IBNNGVZYBONDIK-LSDHHAIUSA-N 2 2 285.432 0.263 20 0 CCADLP CO[C@H](C[NH2+]C[C@H]1C[N@@H+](C)CCN1C)C1CCOCC1 ZINC000638596278 375177443 /nfs/dbraw/zinc/17/74/43/375177443.db2.gz IBNNGVZYBONDIK-LSDHHAIUSA-N 2 2 285.432 0.263 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)nn2)C[NH2+]1 ZINC000638644813 375250205 /nfs/dbraw/zinc/25/02/05/375250205.db2.gz SJYALORKIPAUBK-MNOVXSKESA-N 2 2 286.339 0.533 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000638609813 375188903 /nfs/dbraw/zinc/18/89/03/375188903.db2.gz HCUZKQRFDXSLKG-ZIAGYGMSSA-N 2 2 283.416 0.731 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000638609813 375188910 /nfs/dbraw/zinc/18/89/10/375188910.db2.gz HCUZKQRFDXSLKG-ZIAGYGMSSA-N 2 2 283.416 0.731 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000638609133 375190237 /nfs/dbraw/zinc/19/02/37/375190237.db2.gz DZAVKHHNXORPLQ-KGLIPLIRSA-N 2 2 295.358 0.315 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000638609133 375190242 /nfs/dbraw/zinc/19/02/42/375190242.db2.gz DZAVKHHNXORPLQ-KGLIPLIRSA-N 2 2 295.358 0.315 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)CCC1CC[NH2+]CC1 ZINC000638610826 375191780 /nfs/dbraw/zinc/19/17/80/375191780.db2.gz KZHHNLKVNLRVCP-ZDUSSCGKSA-N 2 2 269.389 0.213 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)CCC1CC[NH2+]CC1 ZINC000638610826 375191786 /nfs/dbraw/zinc/19/17/86/375191786.db2.gz KZHHNLKVNLRVCP-ZDUSSCGKSA-N 2 2 269.389 0.213 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000638612639 375196050 /nfs/dbraw/zinc/19/60/50/375196050.db2.gz WJPNTHGSDBPOBQ-STQMWFEESA-N 2 2 269.389 0.213 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000638612639 375196054 /nfs/dbraw/zinc/19/60/54/375196054.db2.gz WJPNTHGSDBPOBQ-STQMWFEESA-N 2 2 269.389 0.213 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000638764280 375342999 /nfs/dbraw/zinc/34/29/99/375342999.db2.gz AFFAWHQVMXBFFC-GXSJLCMTSA-N 2 2 275.343 0.830 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc(N)nc2N)C1 ZINC000638787745 375356963 /nfs/dbraw/zinc/35/69/63/375356963.db2.gz AMRACNUVBWOFLS-LBPRGKRZSA-N 2 2 292.431 0.759 20 0 CCADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(N)nc2N)C1 ZINC000638787745 375356968 /nfs/dbraw/zinc/35/69/68/375356968.db2.gz AMRACNUVBWOFLS-LBPRGKRZSA-N 2 2 292.431 0.759 20 0 CCADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000638935461 375470992 /nfs/dbraw/zinc/47/09/92/375470992.db2.gz NFANDJWGTLYTGV-QWRGUYRKSA-N 2 2 258.325 0.825 20 0 CCADLP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ccno2)CC1 ZINC000639041528 375542176 /nfs/dbraw/zinc/54/21/76/375542176.db2.gz MSGJNCNMIXOCBH-UHFFFAOYSA-N 2 2 253.346 1.000 20 0 CCADLP [NH3+]CCCC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000638988620 375501314 /nfs/dbraw/zinc/50/13/14/375501314.db2.gz AJTPSJGSUCYTAD-UHFFFAOYSA-N 2 2 294.424 0.990 20 0 CCADLP O=C(NCc1cc[nH+]c(N2CCSCC2)c1)[C@H]1CC[NH2+]1 ZINC000638990490 375503712 /nfs/dbraw/zinc/50/37/12/375503712.db2.gz LLLYYOVLEASVJJ-GFCCVEGCSA-N 2 2 292.408 0.613 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC1(C[NH3+])CCCCC1 ZINC000638998565 375508729 /nfs/dbraw/zinc/50/87/29/375508729.db2.gz RNYPCRFVEGVQQH-NSHDSACASA-N 3 2 256.394 0.043 20 0 CCADLP COc1ncc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)s1 ZINC000639049591 375547141 /nfs/dbraw/zinc/54/71/41/375547141.db2.gz VMYYBNXERZDILR-NSHDSACASA-N 2 2 257.359 0.308 20 0 CCADLP COc1ncc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)s1 ZINC000639049591 375547145 /nfs/dbraw/zinc/54/71/45/375547145.db2.gz VMYYBNXERZDILR-NSHDSACASA-N 2 2 257.359 0.308 20 0 CCADLP COc1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)sn1 ZINC000639049722 375548142 /nfs/dbraw/zinc/54/81/42/375548142.db2.gz YQVRLPFESSNNPM-LLVKDONJSA-N 2 2 257.359 0.308 20 0 CCADLP COc1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)sn1 ZINC000639049722 375548144 /nfs/dbraw/zinc/54/81/44/375548144.db2.gz YQVRLPFESSNNPM-LLVKDONJSA-N 2 2 257.359 0.308 20 0 CCADLP CCC[N@H+](CCC[NH+](C)C)Cc1cnc(N)nc1N ZINC000639174435 375618043 /nfs/dbraw/zinc/61/80/43/375618043.db2.gz BANDDXOTQWDKEE-UHFFFAOYSA-N 2 2 266.393 0.465 20 0 CCADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cnc(N)nc1N ZINC000639174435 375618046 /nfs/dbraw/zinc/61/80/46/375618046.db2.gz BANDDXOTQWDKEE-UHFFFAOYSA-N 2 2 266.393 0.465 20 0 CCADLP CCCN(CCC[NH+](C)C)Cc1c[nH+]c(N)nc1N ZINC000639174435 375618051 /nfs/dbraw/zinc/61/80/51/375618051.db2.gz BANDDXOTQWDKEE-UHFFFAOYSA-N 2 2 266.393 0.465 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(CC(C)(C)[NH+]3CCOCC3)C[C@@H]21 ZINC000639246237 375661661 /nfs/dbraw/zinc/66/16/61/375661661.db2.gz NCLMNWADKONART-KGLIPLIRSA-N 2 2 267.417 0.733 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(CC(C)(C)[NH+]3CCOCC3)C[C@@H]21 ZINC000639246237 375661665 /nfs/dbraw/zinc/66/16/65/375661665.db2.gz NCLMNWADKONART-KGLIPLIRSA-N 2 2 267.417 0.733 20 0 CCADLP C[C@@H]1CN(Cc2c[nH+]c(N)nc2N)CC[N@@H+](C2CC2)C1 ZINC000639214872 375635752 /nfs/dbraw/zinc/63/57/52/375635752.db2.gz VOHYDDIPXAZNAX-SNVBAGLBSA-N 2 2 276.388 0.218 20 0 CCADLP C[C@@H]1CN(Cc2c[nH+]c(N)nc2N)CC[N@H+](C2CC2)C1 ZINC000639214872 375635758 /nfs/dbraw/zinc/63/57/58/375635758.db2.gz VOHYDDIPXAZNAX-SNVBAGLBSA-N 2 2 276.388 0.218 20 0 CCADLP Cn1cc[nH+]c1CSc1nnnn1CC[NH+](C)C ZINC000064653421 284539927 /nfs/dbraw/zinc/53/99/27/284539927.db2.gz PVMSAJKHVSTWJU-UHFFFAOYSA-N 2 2 267.362 0.261 20 0 CCADLP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000335838876 284542541 /nfs/dbraw/zinc/54/25/41/284542541.db2.gz GHEMMYPFHXNCIM-LLVKDONJSA-N 2 2 287.354 0.976 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H]2CC(C)(C)CO2)CC1 ZINC000639449814 375787178 /nfs/dbraw/zinc/78/71/78/375787178.db2.gz CPVAAQZLXHCRLH-ZDUSSCGKSA-N 2 2 283.416 0.507 20 0 CCADLP CC(=O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000639569201 375839478 /nfs/dbraw/zinc/83/94/78/375839478.db2.gz UCPOTPZSTKIKFQ-YIONKMFJSA-N 2 2 265.401 0.818 20 0 CCADLP CC(=O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000639569201 375839482 /nfs/dbraw/zinc/83/94/82/375839482.db2.gz UCPOTPZSTKIKFQ-YIONKMFJSA-N 2 2 265.401 0.818 20 0 CCADLP c1cn(CCC[NH+]2CCN(c3nc[nH]n3)CC2)c[nH+]1 ZINC000639732573 375961538 /nfs/dbraw/zinc/96/15/38/375961538.db2.gz GCRYYTXGPVPAKJ-UHFFFAOYSA-N 2 2 261.333 0.214 20 0 CCADLP O[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC000639681510 375912958 /nfs/dbraw/zinc/91/29/58/375912958.db2.gz QMRUMUHVOJBSIB-RQJABVFESA-N 2 2 291.399 0.343 20 0 CCADLP O[C@H]1CC[N@H+]([C@H]2CCC[C@H]2[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC000639681510 375912960 /nfs/dbraw/zinc/91/29/60/375912960.db2.gz QMRUMUHVOJBSIB-RQJABVFESA-N 2 2 291.399 0.343 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)C1 ZINC000639765986 375994562 /nfs/dbraw/zinc/99/45/62/375994562.db2.gz MHURZZDZXILJIO-ZBFHGGJFSA-N 2 2 297.443 0.633 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)C1 ZINC000639765986 375994566 /nfs/dbraw/zinc/99/45/66/375994566.db2.gz MHURZZDZXILJIO-ZBFHGGJFSA-N 2 2 297.443 0.633 20 0 CCADLP C[C@H]1C[N@H+](CCN2CCC[C@](O)(C[NH+](C)C)C2)CCO1 ZINC000639769317 376000186 /nfs/dbraw/zinc/00/01/86/376000186.db2.gz XUCMUZFJCLGHQR-GJZGRUSLSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H]1C[N@@H+](CCN2CCC[C@](O)(C[NH+](C)C)C2)CCO1 ZINC000639769317 376000194 /nfs/dbraw/zinc/00/01/94/376000194.db2.gz XUCMUZFJCLGHQR-GJZGRUSLSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H]1CN(CC[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)CCO1 ZINC000639769317 376000200 /nfs/dbraw/zinc/00/02/00/376000200.db2.gz XUCMUZFJCLGHQR-GJZGRUSLSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H]1CN(CC[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)CCO1 ZINC000639769317 376000209 /nfs/dbraw/zinc/00/02/09/376000209.db2.gz XUCMUZFJCLGHQR-GJZGRUSLSA-N 2 2 285.432 0.096 20 0 CCADLP Cc1csc(=O)n1CC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639760262 375983389 /nfs/dbraw/zinc/98/33/89/375983389.db2.gz DIGRCKDDMYCBAC-AWEZNQCLSA-N 2 2 299.440 0.607 20 0 CCADLP Cc1csc(=O)n1CC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639760262 375983397 /nfs/dbraw/zinc/98/33/97/375983397.db2.gz DIGRCKDDMYCBAC-AWEZNQCLSA-N 2 2 299.440 0.607 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639944390 376144235 /nfs/dbraw/zinc/14/42/35/376144235.db2.gz KRZNYMPJVJECCB-KBPBESRZSA-N 2 2 276.340 0.176 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)CC1 ZINC000640095461 376233919 /nfs/dbraw/zinc/23/39/19/376233919.db2.gz NKLBZHUFPIMTLW-KKUMJFAQSA-N 2 2 295.427 0.386 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)CC1 ZINC000640095461 376233926 /nfs/dbraw/zinc/23/39/26/376233926.db2.gz NKLBZHUFPIMTLW-KKUMJFAQSA-N 2 2 295.427 0.386 20 0 CCADLP CC[NH+](CC)CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000174562775 284571734 /nfs/dbraw/zinc/57/17/34/284571734.db2.gz ZFSGTEPYIBUDDQ-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@H]2C[NH2+]CC[C@H]2C)CCO1 ZINC000640932007 376622323 /nfs/dbraw/zinc/62/23/23/376622323.db2.gz AEESISXOKLNGPO-MCIONIFRSA-N 2 2 298.431 0.394 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2C[NH2+]CC[C@H]2C)CCO1 ZINC000640932007 376622328 /nfs/dbraw/zinc/62/23/28/376622328.db2.gz AEESISXOKLNGPO-MCIONIFRSA-N 2 2 298.431 0.394 20 0 CCADLP CN(C)c1ccc(Cn2cc(C[C@H]3CC[NH2+]C3)nn2)c[nH+]1 ZINC000641178133 376848392 /nfs/dbraw/zinc/84/83/92/376848392.db2.gz PDZIMYVXPUFNLS-GFCCVEGCSA-N 2 2 286.383 0.939 20 0 CCADLP C[NH+](C)CC(=O)N1CCN(c2cc[nH+]cc2F)CC1 ZINC000641286196 376964931 /nfs/dbraw/zinc/96/49/31/376964931.db2.gz TXBXNTAHVVBXPC-UHFFFAOYSA-N 2 2 266.320 0.431 20 0 CCADLP COCc1cc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)no1 ZINC000641747357 377435377 /nfs/dbraw/zinc/43/53/77/377435377.db2.gz IATJIWLOZMVLDS-ZDUSSCGKSA-N 2 2 296.415 0.937 20 0 CCADLP O=c1[nH]c2ccc(C[NH2+]CC[N@H+]3CC[C@H](O)C3)cc2[nH]1 ZINC000641772697 377455293 /nfs/dbraw/zinc/45/52/93/377455293.db2.gz AEZKRYVUUDIXRM-NSHDSACASA-N 2 2 276.340 0.425 20 0 CCADLP O=c1[nH]c2ccc(C[NH2+]CC[N@@H+]3CC[C@H](O)C3)cc2[nH]1 ZINC000641772697 377455300 /nfs/dbraw/zinc/45/53/00/377455300.db2.gz AEZKRYVUUDIXRM-NSHDSACASA-N 2 2 276.340 0.425 20 0 CCADLP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641788363 377463870 /nfs/dbraw/zinc/46/38/70/377463870.db2.gz YYIISAGLJWZSPS-JYJNAYRXSA-N 2 2 297.443 0.550 20 0 CCADLP COc1cc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])on1 ZINC000641798155 377467451 /nfs/dbraw/zinc/46/74/51/377467451.db2.gz IAHRPWZIUFPTMP-NSHDSACASA-N 2 2 296.371 0.503 20 0 CCADLP COc1cc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])on1 ZINC000641798155 377467458 /nfs/dbraw/zinc/46/74/58/377467458.db2.gz IAHRPWZIUFPTMP-NSHDSACASA-N 2 2 296.371 0.503 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1nnnn1CC(F)(F)F ZINC000641800872 377471413 /nfs/dbraw/zinc/47/14/13/377471413.db2.gz HOXFCBUYSRAWRO-RQJHMYQMSA-N 2 2 278.282 0.451 20 0 CCADLP C[C@@H]1CC[C@@H](CN)[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H]1C ZINC000641809830 377482032 /nfs/dbraw/zinc/48/20/32/377482032.db2.gz SJMVOMHAQYQCBK-ILXRZTDVSA-N 2 2 296.459 0.598 20 0 CCADLP C[C@@H]1CC[C@@H](CN)[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H]1C ZINC000641809830 377482039 /nfs/dbraw/zinc/48/20/39/377482039.db2.gz SJMVOMHAQYQCBK-ILXRZTDVSA-N 2 2 296.459 0.598 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH3+])N(CCC(=O)N2CC[NH+](C)CC2)[C@H]1C ZINC000641809830 377482050 /nfs/dbraw/zinc/48/20/50/377482050.db2.gz SJMVOMHAQYQCBK-ILXRZTDVSA-N 2 2 296.459 0.598 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1(C)C ZINC000641819770 377490745 /nfs/dbraw/zinc/49/07/45/377490745.db2.gz VVYNYIKHWSRWJJ-LBPRGKRZSA-N 2 2 291.399 0.934 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1(C)C ZINC000641819770 377490754 /nfs/dbraw/zinc/49/07/54/377490754.db2.gz VVYNYIKHWSRWJJ-LBPRGKRZSA-N 2 2 291.399 0.934 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000492765526 249084220 /nfs/dbraw/zinc/08/42/20/249084220.db2.gz LXHJDCDJSXXLKF-MORRKMRCSA-N 2 2 271.324 0.998 20 0 CCADLP Cn1cc(CC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cn1 ZINC000515178067 249123306 /nfs/dbraw/zinc/12/33/06/249123306.db2.gz FDWLXCHFDHRYIK-UHFFFAOYSA-N 2 2 260.345 0.508 20 0 CCADLP C[C@@H]([NH2+]C1CC1)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000514599793 249092031 /nfs/dbraw/zinc/09/20/31/249092031.db2.gz HRBOLJISJRXRFI-LLVKDONJSA-N 2 2 277.372 0.194 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC000514619845 249094949 /nfs/dbraw/zinc/09/49/49/249094949.db2.gz RYOBQIOQVUVXFG-OLZOCXBDSA-N 2 2 275.356 0.467 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000514619845 249094950 /nfs/dbraw/zinc/09/49/50/249094950.db2.gz RYOBQIOQVUVXFG-OLZOCXBDSA-N 2 2 275.356 0.467 20 0 CCADLP C[C@H]([NH3+])C1CC[NH+](Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC000514673173 249098235 /nfs/dbraw/zinc/09/82/35/249098235.db2.gz YAAIBPLAITYKHK-VIFPVBQESA-N 3 2 267.377 0.823 20 0 CCADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1nc[nH+]c2c1OCCN2 ZINC000642302674 377554953 /nfs/dbraw/zinc/55/49/53/377554953.db2.gz RMLAYPVOKSPADB-GHMZBOCLSA-N 2 2 293.371 0.172 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1c1nc[nH+]c2c1OCCN2 ZINC000642302674 377554956 /nfs/dbraw/zinc/55/49/56/377554956.db2.gz RMLAYPVOKSPADB-GHMZBOCLSA-N 2 2 293.371 0.172 20 0 CCADLP C[C@@H]1CC[C@H]1[NH2+]C[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000516456951 249164380 /nfs/dbraw/zinc/16/43/80/249164380.db2.gz WIHUWTVMCUVYBK-DHGKCCLASA-N 2 2 256.390 0.845 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCCOC(F)F)C[C@@H](C)O1 ZINC000516762727 249177747 /nfs/dbraw/zinc/17/77/47/249177747.db2.gz LMMSEELRDAQOLA-UTUOFQBUSA-N 2 2 296.358 0.675 20 0 CCADLP Cc1nc(F)ccc1C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000278548082 194036989 /nfs/dbraw/zinc/03/69/89/194036989.db2.gz UPYIQAMAFQZHDT-CYBMUJFWSA-N 2 2 294.374 0.959 20 0 CCADLP CC[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CC(C)C2)CC1 ZINC000569864756 291715731 /nfs/dbraw/zinc/71/57/31/291715731.db2.gz QSJMJBXOZBARLB-ZIAGYGMSSA-N 2 2 283.416 0.242 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000279108836 194287442 /nfs/dbraw/zinc/28/74/42/194287442.db2.gz YDAUKGQEBOZWKB-LLVKDONJSA-N 2 2 288.355 0.503 20 0 CCADLP C[C@H]1C[NH+](CCCNC(=O)[C@H]2CSC[NH2+]2)C[C@H](C)O1 ZINC000237671576 284974957 /nfs/dbraw/zinc/97/49/57/284974957.db2.gz BLXLWKHCNKVJDZ-SDDRHHMPSA-N 2 2 287.429 0.264 20 0 CCADLP Cc1nc(N2CCC(O)(C[NH3+])CC2)c2c([nH+]1)CCCC2 ZINC000574790430 335047459 /nfs/dbraw/zinc/04/74/59/335047459.db2.gz IZYXUTMPKSMPPY-UHFFFAOYSA-N 2 2 276.384 0.954 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1CNCc1c[nH+]c2n1CCC2 ZINC000657358443 412969630 /nfs/dbraw/zinc/96/96/30/412969630.db2.gz WQVZYGHQYVZCLP-ZDUSSCGKSA-N 2 2 263.389 0.165 20 0 CCADLP CC[C@H](C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)[NH+](C)C ZINC000247162568 285044381 /nfs/dbraw/zinc/04/43/81/285044381.db2.gz XYGRCCDWMZFTSX-RWMBFGLXSA-N 2 2 271.405 0.552 20 0 CCADLP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000449128431 533009347 /nfs/dbraw/zinc/00/93/47/533009347.db2.gz SGFLYMDOUWCEMA-ZIAGYGMSSA-N 2 2 297.443 0.990 20 0 CCADLP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000449128431 533009353 /nfs/dbraw/zinc/00/93/53/533009353.db2.gz SGFLYMDOUWCEMA-ZIAGYGMSSA-N 2 2 297.443 0.990 20 0 CCADLP [NH3+]C1CCC(OCC(=O)NCCNc2cccc[nH+]2)CC1 ZINC000571915125 291846025 /nfs/dbraw/zinc/84/60/25/291846025.db2.gz CZZIYPARIIRQKC-UHFFFAOYSA-N 2 2 292.383 0.896 20 0 CCADLP COCCC[N@H+](C)CCNCc1c[nH+]c2n1CCC2 ZINC000657383928 412977064 /nfs/dbraw/zinc/97/70/64/412977064.db2.gz XPWAYVKPJQWQGP-UHFFFAOYSA-N 2 2 266.389 0.887 20 0 CCADLP COCCC[N@@H+](C)CCNCc1c[nH+]c2n1CCC2 ZINC000657383928 412977072 /nfs/dbraw/zinc/97/70/72/412977072.db2.gz XPWAYVKPJQWQGP-UHFFFAOYSA-N 2 2 266.389 0.887 20 0 CCADLP CC[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)C(=O)N1CCOCC1 ZINC000657391504 412982504 /nfs/dbraw/zinc/98/25/04/412982504.db2.gz LYQUZSWBGKSXGE-ZDUSSCGKSA-N 2 2 292.383 0.556 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657414606 412985127 /nfs/dbraw/zinc/98/51/27/412985127.db2.gz CRCPPGUBOAMIRW-OAHLLOKOSA-N 3 2 289.383 0.670 20 0 CCADLP COc1ccnc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)n1 ZINC000424385154 533055971 /nfs/dbraw/zinc/05/59/71/533055971.db2.gz WAMCOGBHTZAXFZ-GHMZBOCLSA-N 2 2 250.346 0.963 20 0 CCADLP NC(=O)C[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289401987 197328980 /nfs/dbraw/zinc/32/89/80/197328980.db2.gz SEZIMKSTKWPBES-LBPRGKRZSA-N 2 2 290.367 0.620 20 0 CCADLP NC(=O)C[N@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000289401987 197328982 /nfs/dbraw/zinc/32/89/82/197328982.db2.gz SEZIMKSTKWPBES-LBPRGKRZSA-N 2 2 290.367 0.620 20 0 CCADLP COc1c(N)[nH+]cnc1NC[C@@H](c1ccco1)[NH+](C)C ZINC000572303300 291871507 /nfs/dbraw/zinc/87/15/07/291871507.db2.gz CQSPFYPCKUXREJ-VIFPVBQESA-N 2 2 277.328 0.797 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000250780453 285144455 /nfs/dbraw/zinc/14/44/55/285144455.db2.gz XORSBTUXBXWZGM-QWHCGFSZSA-N 2 2 269.389 0.213 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000250780453 285144457 /nfs/dbraw/zinc/14/44/57/285144457.db2.gz XORSBTUXBXWZGM-QWHCGFSZSA-N 2 2 269.389 0.213 20 0 CCADLP COc1ccc(C[NH2+]C[C@H]2C[NH2+]CCO2)cc1F ZINC000259016799 285153703 /nfs/dbraw/zinc/15/37/03/285153703.db2.gz YBHXJFYEPPOVCV-LLVKDONJSA-N 2 2 254.305 0.912 20 0 CCADLP CN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261676417 285156093 /nfs/dbraw/zinc/15/60/93/285156093.db2.gz GRQMOJDQMWSPQF-JTQLQIEISA-N 2 2 267.295 0.678 20 0 CCADLP CN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261676417 285156094 /nfs/dbraw/zinc/15/60/94/285156094.db2.gz GRQMOJDQMWSPQF-JTQLQIEISA-N 2 2 267.295 0.678 20 0 CCADLP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000305171049 285170255 /nfs/dbraw/zinc/17/02/55/285170255.db2.gz ZSWVCGPFDAWTMT-OCCSQVGLSA-N 2 2 278.400 0.844 20 0 CCADLP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@@H+]2CCO)CO1 ZINC000657479665 413003061 /nfs/dbraw/zinc/00/30/61/413003061.db2.gz GAOGMQRREVOCJW-MGPQQGTHSA-N 2 2 256.390 0.990 20 0 CCADLP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@H+]2CCO)CO1 ZINC000657479665 413003065 /nfs/dbraw/zinc/00/30/65/413003065.db2.gz GAOGMQRREVOCJW-MGPQQGTHSA-N 2 2 256.390 0.990 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000447443614 533147945 /nfs/dbraw/zinc/14/79/45/533147945.db2.gz VJJGRBRXCQRNMA-NSHDSACASA-N 2 2 296.758 0.968 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](O)CC(C)(C)C1 ZINC000395366435 285225767 /nfs/dbraw/zinc/22/57/67/285225767.db2.gz NKZVEJVMTYIVRS-ZIAGYGMSSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](O)CC(C)(C)C1 ZINC000395366435 285225769 /nfs/dbraw/zinc/22/57/69/285225769.db2.gz NKZVEJVMTYIVRS-ZIAGYGMSSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000395366435 285225770 /nfs/dbraw/zinc/22/57/70/285225770.db2.gz NKZVEJVMTYIVRS-ZIAGYGMSSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000395366435 285225773 /nfs/dbraw/zinc/22/57/73/285225773.db2.gz NKZVEJVMTYIVRS-ZIAGYGMSSA-N 2 2 288.432 0.408 20 0 CCADLP CO[C@@H](C[NH2+]Cc1c[nH+]c(C)n1C)[C@H]1CCOC1 ZINC000657540445 413019059 /nfs/dbraw/zinc/01/90/59/413019059.db2.gz HALXIQJNFYWCEO-AAEUAGOBSA-N 2 2 253.346 0.870 20 0 CCADLP CC[N@H+](CCO)CCNC(=O)Nc1cc[nH+]cc1C ZINC000185469129 388804727 /nfs/dbraw/zinc/80/47/27/388804727.db2.gz PKMDPHINWCOQIH-UHFFFAOYSA-N 2 2 266.345 0.826 20 0 CCADLP CC[N@@H+](CCO)CCNC(=O)Nc1cc[nH+]cc1C ZINC000185469129 388804730 /nfs/dbraw/zinc/80/47/30/388804730.db2.gz PKMDPHINWCOQIH-UHFFFAOYSA-N 2 2 266.345 0.826 20 0 CCADLP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ncc[nH]1 ZINC000286050796 388830556 /nfs/dbraw/zinc/83/05/56/388830556.db2.gz KZEVXHUJKRHDGU-LLVKDONJSA-N 2 2 265.361 0.224 20 0 CCADLP CC[N@H+](CCO)CC[NH2+][C@H](C)CCn1cccn1 ZINC000186579111 388842629 /nfs/dbraw/zinc/84/26/29/388842629.db2.gz XRSANFHHVOLIIY-CYBMUJFWSA-N 2 2 254.378 0.566 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+][C@H](C)CCn1cccn1 ZINC000186579111 388842631 /nfs/dbraw/zinc/84/26/31/388842631.db2.gz XRSANFHHVOLIIY-CYBMUJFWSA-N 2 2 254.378 0.566 20 0 CCADLP CC(C)(CNC(=O)C1([NH3+])CCCCC1)[NH+]1CCOCC1 ZINC000040805206 388855632 /nfs/dbraw/zinc/85/56/32/388855632.db2.gz SZASXDWFOCHGHR-UHFFFAOYSA-N 2 2 283.416 0.875 20 0 CCADLP CC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000040832855 388856755 /nfs/dbraw/zinc/85/67/55/388856755.db2.gz HEMRLKVYEIZMMZ-HNNXBMFYSA-N 2 2 291.395 0.872 20 0 CCADLP CC[N@H+](CCCNC(=O)CNC(=O)C[NH3+])c1ccccc1 ZINC000040833148 388857235 /nfs/dbraw/zinc/85/72/35/388857235.db2.gz XGVMXAYBNULOFN-UHFFFAOYSA-N 2 2 292.383 0.094 20 0 CCADLP CC[N@@H+](CCCNC(=O)CNC(=O)C[NH3+])c1ccccc1 ZINC000040833148 388857238 /nfs/dbraw/zinc/85/72/38/388857238.db2.gz XGVMXAYBNULOFN-UHFFFAOYSA-N 2 2 292.383 0.094 20 0 CCADLP CC[N@H+](CCCNC(=O)[C@H]1C[C@H](O)C[NH2+]1)c1ccccc1 ZINC000040833125 388857784 /nfs/dbraw/zinc/85/77/84/388857784.db2.gz GTIOLQRVNHVNTI-LSDHHAIUSA-N 2 2 291.395 0.742 20 0 CCADLP CC[N@@H+](CCCNC(=O)[C@H]1C[C@H](O)C[NH2+]1)c1ccccc1 ZINC000040833125 388857789 /nfs/dbraw/zinc/85/77/89/388857789.db2.gz GTIOLQRVNHVNTI-LSDHHAIUSA-N 2 2 291.395 0.742 20 0 CCADLP Cc1[nH]c2ccc(NC(=O)[C@H]3C[NH2+]CCO3)cc2[nH+]1 ZINC000043709066 388870162 /nfs/dbraw/zinc/87/01/62/388870162.db2.gz SHSJATUVFLBVLR-GFCCVEGCSA-N 2 2 260.297 0.798 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]C1CCC(NC(C)=O)CC1 ZINC000187563329 388886108 /nfs/dbraw/zinc/88/61/08/388886108.db2.gz TWKXNJJYIUKBLE-UHFFFAOYSA-N 2 2 271.405 0.338 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]C1CCC(NC(C)=O)CC1 ZINC000187563329 388886110 /nfs/dbraw/zinc/88/61/10/388886110.db2.gz TWKXNJJYIUKBLE-UHFFFAOYSA-N 2 2 271.405 0.338 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000291826569 388939238 /nfs/dbraw/zinc/93/92/38/388939238.db2.gz FNYKJLKYYUGGON-CQSZACIVSA-N 2 2 277.372 0.657 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000291826569 388939239 /nfs/dbraw/zinc/93/92/39/388939239.db2.gz FNYKJLKYYUGGON-CQSZACIVSA-N 2 2 277.372 0.657 20 0 CCADLP CC[NH+]1CCN(C(=O)NCc2c[nH+]cn2C)CC1 ZINC000292212829 388946790 /nfs/dbraw/zinc/94/67/90/388946790.db2.gz DIKDFTCCSKXNEB-UHFFFAOYSA-N 2 2 251.334 0.267 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000292342707 388948364 /nfs/dbraw/zinc/94/83/64/388948364.db2.gz NRPZLYYDYPRDRZ-NSHDSACASA-N 2 2 265.361 0.656 20 0 CCADLP Cc1cc(NC(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc[nH+]1 ZINC000189256264 388952869 /nfs/dbraw/zinc/95/28/69/388952869.db2.gz UPZVZWRPPHRQJN-GFCCVEGCSA-N 2 2 278.356 0.920 20 0 CCADLP Cc1cc(NC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc[nH+]1 ZINC000189256264 388952871 /nfs/dbraw/zinc/95/28/71/388952871.db2.gz UPZVZWRPPHRQJN-GFCCVEGCSA-N 2 2 278.356 0.920 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCc2cccnc2)C1 ZINC000072859495 388972205 /nfs/dbraw/zinc/97/22/05/388972205.db2.gz WICJSMKJYUDCPE-OAHLLOKOSA-N 2 2 290.411 0.971 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCc2cccnc2)C1 ZINC000072859495 388972208 /nfs/dbraw/zinc/97/22/08/388972208.db2.gz WICJSMKJYUDCPE-OAHLLOKOSA-N 2 2 290.411 0.971 20 0 CCADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NCc2cccnc2)C1 ZINC000072859495 388972197 /nfs/dbraw/zinc/97/21/97/388972197.db2.gz WICJSMKJYUDCPE-OAHLLOKOSA-N 2 2 290.411 0.971 20 0 CCADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NCc2cccnc2)C1 ZINC000072859495 388972200 /nfs/dbraw/zinc/97/22/00/388972200.db2.gz WICJSMKJYUDCPE-OAHLLOKOSA-N 2 2 290.411 0.971 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+](C)CCCN1CC[NH+](C)CC1)C1CC1 ZINC000336848499 389027652 /nfs/dbraw/zinc/02/76/52/389027652.db2.gz KMNZMGVUASXHEU-MRXNPFEDSA-N 3 2 298.475 0.011 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+](C)CCCN1CC[NH+](C)CC1)C1CC1 ZINC000336848499 389027662 /nfs/dbraw/zinc/02/76/62/389027662.db2.gz KMNZMGVUASXHEU-MRXNPFEDSA-N 3 2 298.475 0.011 20 0 CCADLP C[NH+](CCCN1CC[NH+](C)CC1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336848499 389027665 /nfs/dbraw/zinc/02/76/65/389027665.db2.gz KMNZMGVUASXHEU-MRXNPFEDSA-N 3 2 298.475 0.011 20 0 CCADLP C[NH+](CCCN1CC[NH+](C)CC1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336848499 389027666 /nfs/dbraw/zinc/02/76/66/389027666.db2.gz KMNZMGVUASXHEU-MRXNPFEDSA-N 3 2 298.475 0.011 20 0 CCADLP C[C@@H](CNC(=O)Cc1cn2ccccc2[nH+]1)[NH+](C)C ZINC000298341829 389013579 /nfs/dbraw/zinc/01/35/79/389013579.db2.gz IPGIXUUDQUYCJY-NSHDSACASA-N 2 2 260.341 0.943 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@](O)(C(F)(F)F)C1)C1CC1 ZINC000336811092 389022561 /nfs/dbraw/zinc/02/25/61/389022561.db2.gz LAVCTBXXKGQUNS-GHMZBOCLSA-N 2 2 282.306 0.441 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@](O)(C(F)(F)F)C1)C1CC1 ZINC000336811092 389022565 /nfs/dbraw/zinc/02/25/65/389022565.db2.gz LAVCTBXXKGQUNS-GHMZBOCLSA-N 2 2 282.306 0.441 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@](O)(C(F)(F)F)C1)C1CC1 ZINC000336811092 389022567 /nfs/dbraw/zinc/02/25/67/389022567.db2.gz LAVCTBXXKGQUNS-GHMZBOCLSA-N 2 2 282.306 0.441 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@](O)(C(F)(F)F)C1)C1CC1 ZINC000336811092 389022571 /nfs/dbraw/zinc/02/25/71/389022571.db2.gz LAVCTBXXKGQUNS-GHMZBOCLSA-N 2 2 282.306 0.441 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1csnn1 ZINC000336810734 389023482 /nfs/dbraw/zinc/02/34/82/389023482.db2.gz JCAATRGDNUQNRH-UHFFFAOYSA-N 2 2 283.445 0.996 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1csnn1 ZINC000336810734 389023485 /nfs/dbraw/zinc/02/34/85/389023485.db2.gz JCAATRGDNUQNRH-UHFFFAOYSA-N 2 2 283.445 0.996 20 0 CCADLP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCn2cc[nH+]c2C1 ZINC000354468462 389027050 /nfs/dbraw/zinc/02/70/50/389027050.db2.gz XAVZZPPBLIFCEI-NSHDSACASA-N 2 2 271.324 0.999 20 0 CCADLP Cc1cc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)nc[nH+]1 ZINC000301259539 389049662 /nfs/dbraw/zinc/04/96/62/389049662.db2.gz OFMKEUKZPHAZGK-UHFFFAOYSA-N 2 2 289.383 0.529 20 0 CCADLP C[C@@H]1C[NH+](CCN(C)CC[N@@H+]2CCO[C@H](C)C2)C[C@H](C)O1 ZINC000192850660 389055763 /nfs/dbraw/zinc/05/57/63/389055763.db2.gz WBAZZVCMMGHFFO-OAGGEKHMSA-N 2 2 299.459 0.748 20 0 CCADLP C[C@@H]1C[NH+](CCN(C)CC[N@H+]2CCO[C@H](C)C2)C[C@H](C)O1 ZINC000192850660 389055766 /nfs/dbraw/zinc/05/57/66/389055766.db2.gz WBAZZVCMMGHFFO-OAGGEKHMSA-N 2 2 299.459 0.748 20 0 CCADLP C[C@@H]1C[NH+](CCN(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000192850660 389055770 /nfs/dbraw/zinc/05/57/70/389055770.db2.gz WBAZZVCMMGHFFO-OAGGEKHMSA-N 2 2 299.459 0.748 20 0 CCADLP C[C@@H]1C[NH+](CCN(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000192850660 389055772 /nfs/dbraw/zinc/05/57/72/389055772.db2.gz WBAZZVCMMGHFFO-OAGGEKHMSA-N 2 2 299.459 0.748 20 0 CCADLP Cc1ccc(O)c(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)n1 ZINC000096481247 389061627 /nfs/dbraw/zinc/06/16/27/389061627.db2.gz ZDUJLMDYEQICNC-LBPRGKRZSA-N 2 2 264.373 0.431 20 0 CCADLP Cc1ccc(O)c(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)n1 ZINC000096481247 389061629 /nfs/dbraw/zinc/06/16/29/389061629.db2.gz ZDUJLMDYEQICNC-LBPRGKRZSA-N 2 2 264.373 0.431 20 0 CCADLP CC[N@@H+]1CC[C@@H]2OCCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC000355352713 389065256 /nfs/dbraw/zinc/06/52/56/389065256.db2.gz QJDCEJBEYFNGBB-KGLIPLIRSA-N 2 2 292.383 0.595 20 0 CCADLP CC[N@H+]1CC[C@@H]2OCCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC000355352713 389065259 /nfs/dbraw/zinc/06/52/59/389065259.db2.gz QJDCEJBEYFNGBB-KGLIPLIRSA-N 2 2 292.383 0.595 20 0 CCADLP C[C@H]([C@H](C)Nc1cc[nH+]cc1C(N)=O)[NH+]1CCOCC1 ZINC000302222919 389065540 /nfs/dbraw/zinc/06/55/40/389065540.db2.gz NDKPXAZNWXQCOX-WDEREUQCSA-N 2 2 278.356 0.702 20 0 CCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000355404298 389073421 /nfs/dbraw/zinc/07/34/21/389073421.db2.gz RPQLIAWRDLXRQL-QWHCGFSZSA-N 2 2 284.404 0.053 20 0 CCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000355404298 389073424 /nfs/dbraw/zinc/07/34/24/389073424.db2.gz RPQLIAWRDLXRQL-QWHCGFSZSA-N 2 2 284.404 0.053 20 0 CCADLP C[C@H]1CC[NH+](C)CCN1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000355404298 389073428 /nfs/dbraw/zinc/07/34/28/389073428.db2.gz RPQLIAWRDLXRQL-QWHCGFSZSA-N 2 2 284.404 0.053 20 0 CCADLP C[C@H]1CC[NH+](C)CCN1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000355404298 389073430 /nfs/dbraw/zinc/07/34/30/389073430.db2.gz RPQLIAWRDLXRQL-QWHCGFSZSA-N 2 2 284.404 0.053 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH2+]CC2(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000355427537 389076867 /nfs/dbraw/zinc/07/68/67/389076867.db2.gz XQBMDIQSIHUIFP-VXGBXAGGSA-N 2 2 274.430 0.884 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH2+]CC2(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000355427537 389076868 /nfs/dbraw/zinc/07/68/68/389076868.db2.gz XQBMDIQSIHUIFP-VXGBXAGGSA-N 2 2 274.430 0.884 20 0 CCADLP CC(C)(C(=O)NCC[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000338164045 389082336 /nfs/dbraw/zinc/08/23/36/389082336.db2.gz BRLPHQXOOPGBQP-UHFFFAOYSA-N 2 2 269.389 0.309 20 0 CCADLP CC[C@H](C)[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338186761 389086994 /nfs/dbraw/zinc/08/69/94/389086994.db2.gz JYGMEWONOCXWII-ZDUSSCGKSA-N 2 2 285.432 0.944 20 0 CCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338186761 389086995 /nfs/dbraw/zinc/08/69/95/389086995.db2.gz JYGMEWONOCXWII-ZDUSSCGKSA-N 2 2 285.432 0.944 20 0 CCADLP C[N@H+]1C[C@H]2CN(C(=O)c3ccc4[nH+]ccn4c3)C[C@H]2C1 ZINC000192497503 389040145 /nfs/dbraw/zinc/04/01/45/389040145.db2.gz MAPUXORWPNCXJG-BETUJISGSA-N 2 2 270.336 0.968 20 0 CCADLP C[N@@H+]1C[C@H]2CN(C(=O)c3ccc4[nH+]ccn4c3)C[C@H]2C1 ZINC000192497503 389040147 /nfs/dbraw/zinc/04/01/47/389040147.db2.gz MAPUXORWPNCXJG-BETUJISGSA-N 2 2 270.336 0.968 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000194268179 389091898 /nfs/dbraw/zinc/09/18/98/389091898.db2.gz RWGGOIHPCWTYIB-CYBMUJFWSA-N 2 2 295.427 0.698 20 0 CCADLP CC[C@H](C(N)=O)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000109752644 389100334 /nfs/dbraw/zinc/10/03/34/389100334.db2.gz DWYZTMOMVUFECT-ZIAGYGMSSA-N 2 2 282.432 0.352 20 0 CCADLP CC[C@H](C(N)=O)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000109752644 389100336 /nfs/dbraw/zinc/10/03/36/389100336.db2.gz DWYZTMOMVUFECT-ZIAGYGMSSA-N 2 2 282.432 0.352 20 0 CCADLP C[C@H]1OCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H]1C ZINC000338268927 389101017 /nfs/dbraw/zinc/10/10/17/389101017.db2.gz ACROPRCNZLTBFM-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@H]1OCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H]1C ZINC000338268927 389101019 /nfs/dbraw/zinc/10/10/19/389101019.db2.gz ACROPRCNZLTBFM-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CCCCCNC(=O)[C@H](C)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313377003 389113772 /nfs/dbraw/zinc/11/37/72/389113772.db2.gz FCDUCSFYDCTMDJ-STQMWFEESA-N 2 2 271.405 0.731 20 0 CCADLP CCCCCNC(=O)[C@H](C)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313377003 389113775 /nfs/dbraw/zinc/11/37/75/389113775.db2.gz FCDUCSFYDCTMDJ-STQMWFEESA-N 2 2 271.405 0.731 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000195128343 389116258 /nfs/dbraw/zinc/11/62/58/389116258.db2.gz MKGDRQBZVQBGAN-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000195128343 389116261 /nfs/dbraw/zinc/11/62/61/389116261.db2.gz MKGDRQBZVQBGAN-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP Cn1cc(CCC[NH2+]C[C@H]2C[N@H+](C)CCN2C)cn1 ZINC000314688545 389117968 /nfs/dbraw/zinc/11/79/68/389117968.db2.gz CBRKLUPMVBTNLZ-AWEZNQCLSA-N 2 2 265.405 0.188 20 0 CCADLP Cn1cc(CCC[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cn1 ZINC000314688545 389117970 /nfs/dbraw/zinc/11/79/70/389117970.db2.gz CBRKLUPMVBTNLZ-AWEZNQCLSA-N 2 2 265.405 0.188 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)N1CCCC1 ZINC000112210484 389119875 /nfs/dbraw/zinc/11/98/75/389119875.db2.gz SDXVMTYHOFJQSS-HNNXBMFYSA-N 2 2 295.427 0.653 20 0 CCADLP O=C(C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)N1CCCC1 ZINC000112210484 389119876 /nfs/dbraw/zinc/11/98/76/389119876.db2.gz SDXVMTYHOFJQSS-HNNXBMFYSA-N 2 2 295.427 0.653 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCN2CCC(O)CC2)CC[N@@H+]1C ZINC000321418166 389122108 /nfs/dbraw/zinc/12/21/08/389122108.db2.gz VCAAEGKLKQBTAJ-QWHCGFSZSA-N 2 2 255.406 0.515 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCN2CCC(O)CC2)CC[N@H+]1C ZINC000321418166 389122122 /nfs/dbraw/zinc/12/21/22/389122122.db2.gz VCAAEGKLKQBTAJ-QWHCGFSZSA-N 2 2 255.406 0.515 20 0 CCADLP C[C@H]1C[C@H](NCC[NH+]2CCC(O)CC2)CC[N@@H+]1C ZINC000321418166 389122125 /nfs/dbraw/zinc/12/21/25/389122125.db2.gz VCAAEGKLKQBTAJ-QWHCGFSZSA-N 2 2 255.406 0.515 20 0 CCADLP C[C@H]1C[C@H](NCC[NH+]2CCC(O)CC2)CC[N@H+]1C ZINC000321418166 389122127 /nfs/dbraw/zinc/12/21/27/389122127.db2.gz VCAAEGKLKQBTAJ-QWHCGFSZSA-N 2 2 255.406 0.515 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCCO1 ZINC000339362159 389131513 /nfs/dbraw/zinc/13/15/13/389131513.db2.gz TWMWCCVEYCLPOY-CQSZACIVSA-N 2 2 283.416 0.650 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCCO1 ZINC000339362159 389131514 /nfs/dbraw/zinc/13/15/14/389131514.db2.gz TWMWCCVEYCLPOY-CQSZACIVSA-N 2 2 283.416 0.650 20 0 CCADLP C[NH+](C)Cc1cccc(NC(=O)CN2CC[NH2+]CC2=O)c1 ZINC000237060046 389180443 /nfs/dbraw/zinc/18/04/43/389180443.db2.gz UBIAKMNKWUDZPL-UHFFFAOYSA-N 2 2 290.367 0.119 20 0 CCADLP C[C@@H](CNC(=O)[C@]1(C)CCCC[NH2+]1)[NH+]1CCOCC1 ZINC000237608195 389192385 /nfs/dbraw/zinc/19/23/85/389192385.db2.gz MNZADBOKULLXRU-JSGCOSHPSA-N 2 2 269.389 0.356 20 0 CCADLP Cc1cc[nH+]cc1N1CC[NH+](CCOCCO)CC1 ZINC000340108113 389151825 /nfs/dbraw/zinc/15/18/25/389151825.db2.gz JGOVMTPLRIMHRE-UHFFFAOYSA-N 2 2 265.357 0.521 20 0 CCADLP COC(C)(C)[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000340476327 389160858 /nfs/dbraw/zinc/16/08/58/389160858.db2.gz UFTIXDXHYNTACM-NWDGAFQWSA-N 2 2 271.405 0.729 20 0 CCADLP COC(C)(C)[C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000340476327 389160861 /nfs/dbraw/zinc/16/08/61/389160861.db2.gz UFTIXDXHYNTACM-NWDGAFQWSA-N 2 2 271.405 0.729 20 0 CCADLP C[C@@H](O)C[N@H+](C)C1CC[NH+]([C@@H](C)CN2CCOCC2)CC1 ZINC000340922106 389167651 /nfs/dbraw/zinc/16/76/51/389167651.db2.gz OSRAEUFEYBCMEM-LSDHHAIUSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+]([C@@H](C)CN2CCOCC2)CC1 ZINC000340922106 389167654 /nfs/dbraw/zinc/16/76/54/389167654.db2.gz OSRAEUFEYBCMEM-LSDHHAIUSA-N 2 2 299.459 0.484 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)C[C@@H]21 ZINC000360830255 389205052 /nfs/dbraw/zinc/20/50/52/389205052.db2.gz DTMQUYCHSLJXPM-LMLFDSFASA-N 2 2 273.327 0.569 20 0 CCADLP COC(=O)CC[C@H]([NH3+])C(=O)Nc1cc[nH+]cc1C ZINC000342687638 389241714 /nfs/dbraw/zinc/24/17/14/389241714.db2.gz BXEUNZSYNPYJKB-VIFPVBQESA-N 2 2 251.286 0.031 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000342698690 389243885 /nfs/dbraw/zinc/24/38/85/389243885.db2.gz HJIXHYBGTHHXJT-WDEREUQCSA-N 2 2 291.342 0.068 20 0 CCADLP C[C@H]1C[N@H+](CCN2CC[C@@H]([NH+]3CCCC3)C2)CCO1 ZINC000248988629 389251911 /nfs/dbraw/zinc/25/19/11/389251911.db2.gz FLLAAEBHUCTXRA-LSDHHAIUSA-N 2 2 267.417 0.877 20 0 CCADLP C[C@H]1C[N@@H+](CCN2CC[C@@H]([NH+]3CCCC3)C2)CCO1 ZINC000248988629 389251913 /nfs/dbraw/zinc/25/19/13/389251913.db2.gz FLLAAEBHUCTXRA-LSDHHAIUSA-N 2 2 267.417 0.877 20 0 CCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[NH+](CC2CC2)CC1 ZINC000364392032 389261628 /nfs/dbraw/zinc/26/16/28/389261628.db2.gz XPHATTAEICPUCA-CQSZACIVSA-N 2 2 288.395 1.000 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCN2CCN(C(C)=O)CC2)C1 ZINC000343274414 389262024 /nfs/dbraw/zinc/26/20/24/389262024.db2.gz ASSYQVODNSSFME-HIFRSBDPSA-N 2 2 282.432 0.080 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCN2CCN(C(C)=O)CC2)C1 ZINC000343274414 389262025 /nfs/dbraw/zinc/26/20/25/389262025.db2.gz ASSYQVODNSSFME-HIFRSBDPSA-N 2 2 282.432 0.080 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CCNS(C)(=O)=O)[C@@H](C)C1 ZINC000245430360 389206867 /nfs/dbraw/zinc/20/68/67/389206867.db2.gz NOIVNQRPTRDXGM-NWDGAFQWSA-N 2 2 277.434 0.198 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CCNS(C)(=O)=O)[C@@H](C)C1 ZINC000245430360 389206870 /nfs/dbraw/zinc/20/68/70/389206870.db2.gz NOIVNQRPTRDXGM-NWDGAFQWSA-N 2 2 277.434 0.198 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CCNS(C)(=O)=O)[C@@H](C)C1 ZINC000245430360 389206871 /nfs/dbraw/zinc/20/68/71/389206871.db2.gz NOIVNQRPTRDXGM-NWDGAFQWSA-N 2 2 277.434 0.198 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CCNS(C)(=O)=O)[C@@H](C)C1 ZINC000245430360 389206873 /nfs/dbraw/zinc/20/68/73/389206873.db2.gz NOIVNQRPTRDXGM-NWDGAFQWSA-N 2 2 277.434 0.198 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CCNS(C)(=O)=O)[C@@H](C)C1 ZINC000245430361 389207339 /nfs/dbraw/zinc/20/73/39/389207339.db2.gz NOIVNQRPTRDXGM-RYUDHWBXSA-N 2 2 277.434 0.198 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CCNS(C)(=O)=O)[C@@H](C)C1 ZINC000245430361 389207341 /nfs/dbraw/zinc/20/73/41/389207341.db2.gz NOIVNQRPTRDXGM-RYUDHWBXSA-N 2 2 277.434 0.198 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CCNS(C)(=O)=O)[C@@H](C)C1 ZINC000245430361 389207342 /nfs/dbraw/zinc/20/73/42/389207342.db2.gz NOIVNQRPTRDXGM-RYUDHWBXSA-N 2 2 277.434 0.198 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CCNS(C)(=O)=O)[C@@H](C)C1 ZINC000245430361 389207344 /nfs/dbraw/zinc/20/73/44/389207344.db2.gz NOIVNQRPTRDXGM-RYUDHWBXSA-N 2 2 277.434 0.198 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCN(C)C2=O)C1 ZINC000245441805 389208563 /nfs/dbraw/zinc/20/85/63/389208563.db2.gz VTLSFGPPSNULLA-STQMWFEESA-N 2 2 253.390 0.881 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCN(C)C2=O)C1 ZINC000245441805 389208564 /nfs/dbraw/zinc/20/85/64/389208564.db2.gz VTLSFGPPSNULLA-STQMWFEESA-N 2 2 253.390 0.881 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC000245441805 389208566 /nfs/dbraw/zinc/20/85/66/389208566.db2.gz VTLSFGPPSNULLA-STQMWFEESA-N 2 2 253.390 0.881 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC000245441805 389208568 /nfs/dbraw/zinc/20/85/68/389208568.db2.gz VTLSFGPPSNULLA-STQMWFEESA-N 2 2 253.390 0.881 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+](C)C[C@H]2CCC[NH+](C)C2)C[C@@H](C)O1 ZINC000247056216 389235755 /nfs/dbraw/zinc/23/57/55/389235755.db2.gz SFJQODVNNAVJGU-KFWWJZLASA-N 2 2 297.443 0.896 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)C[C@@H](C)O1 ZINC000247056216 389235757 /nfs/dbraw/zinc/23/57/57/389235757.db2.gz SFJQODVNNAVJGU-KFWWJZLASA-N 2 2 297.443 0.896 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+](C)C[C@H]2CCC[N@H+](C)C2)C[C@@H](C)O1 ZINC000247056216 389235759 /nfs/dbraw/zinc/23/57/59/389235759.db2.gz SFJQODVNNAVJGU-KFWWJZLASA-N 2 2 297.443 0.896 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)C[C@@H](C)O1 ZINC000247056216 389235761 /nfs/dbraw/zinc/23/57/61/389235761.db2.gz SFJQODVNNAVJGU-KFWWJZLASA-N 2 2 297.443 0.896 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCOC2)CC1 ZINC000342667679 389238327 /nfs/dbraw/zinc/23/83/27/389238327.db2.gz BTIWUMAMCBMLFI-CYBMUJFWSA-N 2 2 270.373 0.783 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000331921466 389316037 /nfs/dbraw/zinc/31/60/37/389316037.db2.gz FLNSQEVZUKMHRP-UTUOFQBUSA-N 2 2 274.430 0.787 20 0 CCADLP C[C@H](NC(=O)NCc1[nH+]ccn1C)[C@H](C)[NH+]1CCOCC1 ZINC000264332875 389321787 /nfs/dbraw/zinc/32/17/87/389321787.db2.gz XOPGSZALGRSGPV-RYUDHWBXSA-N 2 2 295.387 0.329 20 0 CCADLP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000156362543 389325102 /nfs/dbraw/zinc/32/51/02/389325102.db2.gz FLQCYTSZRLWZLU-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@H](O)C[C@H]1COCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000156939231 389327639 /nfs/dbraw/zinc/32/76/39/389327639.db2.gz AFGORBNASHWBSO-IHRRRGAJSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@H](O)C[C@H]1COCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000156939231 389327640 /nfs/dbraw/zinc/32/76/40/389327640.db2.gz AFGORBNASHWBSO-IHRRRGAJSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@H](O)C[C@H]1COCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000156939231 389327642 /nfs/dbraw/zinc/32/76/42/389327642.db2.gz AFGORBNASHWBSO-IHRRRGAJSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@H](O)C[C@H]1COCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000156939231 389327643 /nfs/dbraw/zinc/32/76/43/389327643.db2.gz AFGORBNASHWBSO-IHRRRGAJSA-N 2 2 256.390 0.942 20 0 CCADLP COCC[N@@H+](CC(=O)N(C)C)C[C@H]1CCC[NH2+]C1 ZINC000346847484 389339288 /nfs/dbraw/zinc/33/92/88/389339288.db2.gz PCAIFSOGBUEILY-LBPRGKRZSA-N 2 2 257.378 0.023 20 0 CCADLP COCC[N@H+](CC(=O)N(C)C)C[C@H]1CCC[NH2+]C1 ZINC000346847484 389339291 /nfs/dbraw/zinc/33/92/91/389339291.db2.gz PCAIFSOGBUEILY-LBPRGKRZSA-N 2 2 257.378 0.023 20 0 CCADLP COCCC[N@H+](C)CC[NH2+][C@@H](C)Cn1cccn1 ZINC000138684523 389271851 /nfs/dbraw/zinc/27/18/51/389271851.db2.gz XONGYVQOIGWAGY-ZDUSSCGKSA-N 2 2 254.378 0.830 20 0 CCADLP COCCC[N@@H+](C)CC[NH2+][C@@H](C)Cn1cccn1 ZINC000138684523 389271853 /nfs/dbraw/zinc/27/18/53/389271853.db2.gz XONGYVQOIGWAGY-ZDUSSCGKSA-N 2 2 254.378 0.830 20 0 CCADLP C[C@@H]1C[N@H+](CCC(=O)N(C)C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343926329 389275989 /nfs/dbraw/zinc/27/59/89/389275989.db2.gz PXBUALBQZXLWRZ-HUUCEWRRSA-N 2 2 296.459 0.423 20 0 CCADLP C[C@@H]1C[N@@H+](CCC(=O)N(C)C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343926329 389275992 /nfs/dbraw/zinc/27/59/92/389275992.db2.gz PXBUALBQZXLWRZ-HUUCEWRRSA-N 2 2 296.459 0.423 20 0 CCADLP O=C(C[C@@H]1COCC[NH2+]1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000262433331 389286893 /nfs/dbraw/zinc/28/68/93/389286893.db2.gz UBVWOGHMZUMTRO-VXGBXAGGSA-N 2 2 278.356 0.494 20 0 CCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)CC[C@@H]21 ZINC000262999583 389297333 /nfs/dbraw/zinc/29/73/33/389297333.db2.gz OPMKHNCWDZLSPN-WOPDTQHZSA-N 2 2 287.354 0.926 20 0 CCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)CC[C@@H]21 ZINC000262999583 389297335 /nfs/dbraw/zinc/29/73/35/389297335.db2.gz OPMKHNCWDZLSPN-WOPDTQHZSA-N 2 2 287.354 0.926 20 0 CCADLP C[N@H+](CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1)C1CCCC1 ZINC000263277576 389299064 /nfs/dbraw/zinc/29/90/64/389299064.db2.gz TVKXJMCHNSTMMO-LLVKDONJSA-N 2 2 275.343 0.974 20 0 CCADLP C[N@@H+](CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1)C1CCCC1 ZINC000263277576 389299069 /nfs/dbraw/zinc/29/90/69/389299069.db2.gz TVKXJMCHNSTMMO-LLVKDONJSA-N 2 2 275.343 0.974 20 0 CCADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348280345 389372655 /nfs/dbraw/zinc/37/26/55/389372655.db2.gz MRETYAUCPQNSJR-STQMWFEESA-N 2 2 253.390 0.914 20 0 CCADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348280345 389372658 /nfs/dbraw/zinc/37/26/58/389372658.db2.gz MRETYAUCPQNSJR-STQMWFEESA-N 2 2 253.390 0.914 20 0 CCADLP CC[C@@H](C(N)=O)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000348280345 389372662 /nfs/dbraw/zinc/37/26/62/389372662.db2.gz MRETYAUCPQNSJR-STQMWFEESA-N 2 2 253.390 0.914 20 0 CCADLP CC[C@@H](C(N)=O)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000348280345 389372664 /nfs/dbraw/zinc/37/26/64/389372664.db2.gz MRETYAUCPQNSJR-STQMWFEESA-N 2 2 253.390 0.914 20 0 CCADLP CCOCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369269016 389392771 /nfs/dbraw/zinc/39/27/71/389392771.db2.gz VCBRLKORNROLDQ-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP CCOCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369269016 389392774 /nfs/dbraw/zinc/39/27/74/389392774.db2.gz VCBRLKORNROLDQ-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)CCOC1C[NH2+]C1 ZINC000348989584 389398818 /nfs/dbraw/zinc/39/88/18/389398818.db2.gz CVZUJDCBDRZLNX-UHFFFAOYSA-N 2 2 278.356 0.142 20 0 CCADLP CO[C@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370836788 389418007 /nfs/dbraw/zinc/41/80/07/389418007.db2.gz BJNKSAGZGQVSRO-TZMCWYRMSA-N 2 2 283.416 0.648 20 0 CCADLP CO[C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370836788 389418009 /nfs/dbraw/zinc/41/80/09/389418009.db2.gz BJNKSAGZGQVSRO-TZMCWYRMSA-N 2 2 283.416 0.648 20 0 CCADLP CN(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C[C@@H]1CCC[NH+]1C ZINC000421012161 389347485 /nfs/dbraw/zinc/34/74/85/389347485.db2.gz SWUVUAVPFMLIGQ-SOUVJXGZSA-N 2 2 267.417 0.876 20 0 CCADLP CN(CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C[C@@H]1CCC[NH+]1C ZINC000421012161 389347489 /nfs/dbraw/zinc/34/74/89/389347489.db2.gz SWUVUAVPFMLIGQ-SOUVJXGZSA-N 2 2 267.417 0.876 20 0 CCADLP CN(CC[NH+]1C[C@H]2CC[C@@H](C1)O2)C[C@@H]1CCC[N@@H+]1C ZINC000421012161 389347493 /nfs/dbraw/zinc/34/74/93/389347493.db2.gz SWUVUAVPFMLIGQ-SOUVJXGZSA-N 2 2 267.417 0.876 20 0 CCADLP CN(CC[NH+]1C[C@H]2CC[C@@H](C1)O2)C[C@@H]1CCC[N@H+]1C ZINC000421012161 389347497 /nfs/dbraw/zinc/34/74/97/389347497.db2.gz SWUVUAVPFMLIGQ-SOUVJXGZSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H](CCn1cccn1)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000158837859 389353313 /nfs/dbraw/zinc/35/33/13/389353313.db2.gz MITCNLAPDWVWKG-UONOGXRCSA-N 2 2 265.405 0.497 20 0 CCADLP C[C@@H](CCn1cccn1)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000158837859 389353318 /nfs/dbraw/zinc/35/33/18/389353318.db2.gz MITCNLAPDWVWKG-UONOGXRCSA-N 2 2 265.405 0.497 20 0 CCADLP CCC[C@@H](C(=O)NCC[N@@H+]1CCO[C@H](CC)C1)[NH+](C)C ZINC000347646739 389355625 /nfs/dbraw/zinc/35/56/25/389355625.db2.gz DWFKZPNHAXRTQP-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP CCC[C@@H](C(=O)NCC[N@H+]1CCO[C@H](CC)C1)[NH+](C)C ZINC000347646739 389355628 /nfs/dbraw/zinc/35/56/28/389355628.db2.gz DWFKZPNHAXRTQP-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)C[C@@H]21 ZINC000332656398 389356731 /nfs/dbraw/zinc/35/67/31/389356731.db2.gz ZMVMLSXOFZHLGB-RFQIPJPRSA-N 2 2 296.415 0.371 20 0 CCADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)C[C@@H]21 ZINC000332656398 389356734 /nfs/dbraw/zinc/35/67/34/389356734.db2.gz ZMVMLSXOFZHLGB-RFQIPJPRSA-N 2 2 296.415 0.371 20 0 CCADLP C[NH+]1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000265986101 389362018 /nfs/dbraw/zinc/36/20/18/389362018.db2.gz HECZGYQXZPPFGX-UHFFFAOYSA-N 2 2 279.413 0.782 20 0 CCADLP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000367965836 389366120 /nfs/dbraw/zinc/36/61/20/389366120.db2.gz WCGGBBPILCSXGV-LLVKDONJSA-N 2 2 264.373 0.902 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CCCC[NH2+]1 ZINC000422743522 389464983 /nfs/dbraw/zinc/46/49/83/389464983.db2.gz RQNUJJYWRTWLNJ-KFWWJZLASA-N 3 2 296.459 0.694 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CCCC[NH2+]1 ZINC000422743522 389464987 /nfs/dbraw/zinc/46/49/87/389464987.db2.gz RQNUJJYWRTWLNJ-KFWWJZLASA-N 3 2 296.459 0.694 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@H]1CCC[NH2+]1 ZINC000422743576 389465161 /nfs/dbraw/zinc/46/51/61/389465161.db2.gz RTZRWQAKHOQBNN-BFHYXJOUSA-N 3 2 282.432 0.304 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@H]1CCC[NH2+]1 ZINC000422743576 389465163 /nfs/dbraw/zinc/46/51/63/389465163.db2.gz RTZRWQAKHOQBNN-BFHYXJOUSA-N 3 2 282.432 0.304 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@H]1CCCC[NH2+]1 ZINC000422743527 389465191 /nfs/dbraw/zinc/46/51/91/389465191.db2.gz RQNUJJYWRTWLNJ-SOUVJXGZSA-N 3 2 296.459 0.694 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@H]1CCCC[NH2+]1 ZINC000422743527 389465193 /nfs/dbraw/zinc/46/51/93/389465193.db2.gz RQNUJJYWRTWLNJ-SOUVJXGZSA-N 3 2 296.459 0.694 20 0 CCADLP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000422774802 389472325 /nfs/dbraw/zinc/47/23/25/389472325.db2.gz YMZGJJIOVWGIOL-GJZGRUSLSA-N 3 2 287.448 0.687 20 0 CCADLP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000422774802 389472331 /nfs/dbraw/zinc/47/23/31/389472331.db2.gz YMZGJJIOVWGIOL-GJZGRUSLSA-N 3 2 287.448 0.687 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1NCC1([NH+](C)C)CCCC1 ZINC000422785246 389474936 /nfs/dbraw/zinc/47/49/36/389474936.db2.gz NBXCBXKEEHBZJD-STQMWFEESA-N 2 2 283.416 0.744 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC000422786609 389475744 /nfs/dbraw/zinc/47/57/44/389475744.db2.gz KVDIBLCRWSJHQK-FZMZJTMJSA-N 2 2 277.368 0.638 20 0 CCADLP O=C(NC[C@H]1CCC[NH2+]1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000422790387 389475867 /nfs/dbraw/zinc/47/58/67/389475867.db2.gz TZJXMZYTZHGZCX-TZMCWYRMSA-N 2 2 281.400 0.498 20 0 CCADLP O=C(NC[C@H]1CCC[NH2+]1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000422790387 389475870 /nfs/dbraw/zinc/47/58/70/389475870.db2.gz TZJXMZYTZHGZCX-TZMCWYRMSA-N 2 2 281.400 0.498 20 0 CCADLP C[C@@H]([NH3+])CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000422791989 389476662 /nfs/dbraw/zinc/47/66/62/389476662.db2.gz YYKKZONVNOQIJZ-DGCLKSJQSA-N 2 2 269.389 0.483 20 0 CCADLP C[C@@H]([NH3+])CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000422791989 389476664 /nfs/dbraw/zinc/47/66/64/389476664.db2.gz YYKKZONVNOQIJZ-DGCLKSJQSA-N 2 2 269.389 0.483 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C[C@@H](C)[NH2+]1 ZINC000422816077 389480513 /nfs/dbraw/zinc/48/05/13/389480513.db2.gz DGNSUDJCXNWHML-UMVBOHGHSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C[C@@H](C)[NH2+]1 ZINC000422816077 389480515 /nfs/dbraw/zinc/48/05/15/389480515.db2.gz DGNSUDJCXNWHML-UMVBOHGHSA-N 2 2 295.427 0.839 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC1CC[NH+](CC(C)C)CC1 ZINC000422820491 389481235 /nfs/dbraw/zinc/48/12/35/389481235.db2.gz QXTDVVTWSDNDQY-LSDHHAIUSA-N 2 2 297.443 0.990 20 0 CCADLP C[C@@H](O)CNc1cc(N2CC[NH+]3CCC2CC3)nc[nH+]1 ZINC000413257831 389486618 /nfs/dbraw/zinc/48/66/18/389486618.db2.gz OMIFVPQVWMWQFZ-LLVKDONJSA-N 2 2 277.372 0.554 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC[C@H]1[NH3+] ZINC000422841042 389488251 /nfs/dbraw/zinc/48/82/51/389488251.db2.gz CMSUMIUDMYYXHA-YUELXQCFSA-N 2 2 295.427 0.826 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC[C@H]1[NH3+] ZINC000422841042 389488254 /nfs/dbraw/zinc/48/82/54/389488254.db2.gz CMSUMIUDMYYXHA-YUELXQCFSA-N 2 2 295.427 0.826 20 0 CCADLP CC[N@@H+]1CCN(c2cc(NC[C@H](C)O)[nH+]cn2)[C@H](C)C1 ZINC000413281598 389489002 /nfs/dbraw/zinc/48/90/02/389489002.db2.gz NMOIGTRBTQUJKR-NEPJUHHUSA-N 2 2 279.388 0.800 20 0 CCADLP CC[N@H+]1CCN(c2cc(NC[C@H](C)O)[nH+]cn2)[C@H](C)C1 ZINC000413281598 389489005 /nfs/dbraw/zinc/48/90/05/389489005.db2.gz NMOIGTRBTQUJKR-NEPJUHHUSA-N 2 2 279.388 0.800 20 0 CCADLP Nc1ccnc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)n1 ZINC000370871604 389421742 /nfs/dbraw/zinc/42/17/42/389421742.db2.gz BSPWFFQWBSBLKH-UHFFFAOYSA-N 2 2 258.329 0.992 20 0 CCADLP CNS(=O)(=O)[C@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000162621365 389422114 /nfs/dbraw/zinc/42/21/14/389422114.db2.gz ZMXFQCVINWWROW-RYUDHWBXSA-N 2 2 275.418 0.094 20 0 CCADLP CNS(=O)(=O)[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000162621365 389422121 /nfs/dbraw/zinc/42/21/21/389422121.db2.gz ZMXFQCVINWWROW-RYUDHWBXSA-N 2 2 275.418 0.094 20 0 CCADLP CNS(=O)(=O)[C@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000162621365 389422127 /nfs/dbraw/zinc/42/21/27/389422127.db2.gz ZMXFQCVINWWROW-RYUDHWBXSA-N 2 2 275.418 0.094 20 0 CCADLP CNS(=O)(=O)[C@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000162621365 389422129 /nfs/dbraw/zinc/42/21/29/389422129.db2.gz ZMXFQCVINWWROW-RYUDHWBXSA-N 2 2 275.418 0.094 20 0 CCADLP CC(C)N1CCC[C@H]([N@@H+]2CCCO[C@H](C[NH3+])C2)C1=O ZINC000333635304 389437722 /nfs/dbraw/zinc/43/77/22/389437722.db2.gz BJHWWOXLVJLMTQ-OLZOCXBDSA-N 2 2 269.389 0.435 20 0 CCADLP CC(C)N1CCC[C@H]([N@H+]2CCCO[C@H](C[NH3+])C2)C1=O ZINC000333635304 389437727 /nfs/dbraw/zinc/43/77/27/389437727.db2.gz BJHWWOXLVJLMTQ-OLZOCXBDSA-N 2 2 269.389 0.435 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCC[NH2+]C1)Cn1cc[nH+]c1 ZINC000165580816 389439222 /nfs/dbraw/zinc/43/92/22/389439222.db2.gz YVAFPUPNMYEENW-RYUDHWBXSA-N 2 2 250.346 0.635 20 0 CCADLP CO[C@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000349827285 389441940 /nfs/dbraw/zinc/44/19/40/389441940.db2.gz IKFMQLLVMBKGBY-HNNXBMFYSA-N 2 2 297.443 0.896 20 0 CCADLP CO[C@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000349827285 389441942 /nfs/dbraw/zinc/44/19/42/389441942.db2.gz IKFMQLLVMBKGBY-HNNXBMFYSA-N 2 2 297.443 0.896 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCO[C@@H](C3CCC3)C2)CC1 ZINC000411881501 389454518 /nfs/dbraw/zinc/45/45/18/389454518.db2.gz XKZDEYURKPIMSZ-CQSZACIVSA-N 2 2 281.400 0.261 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCO[C@@H](C3CCC3)C2)CC1 ZINC000411881501 389454519 /nfs/dbraw/zinc/45/45/19/389454519.db2.gz XKZDEYURKPIMSZ-CQSZACIVSA-N 2 2 281.400 0.261 20 0 CCADLP O=C(NCCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)C1CCC1 ZINC000422918129 389505915 /nfs/dbraw/zinc/50/59/15/389505915.db2.gz GQPWZIPNDPSIHQ-GJZGRUSLSA-N 2 2 295.427 0.649 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CC[C@@H](C)O)CC1 ZINC000173823976 389510325 /nfs/dbraw/zinc/51/03/25/389510325.db2.gz FCHNKVXJPMIKLL-OLZOCXBDSA-N 2 2 271.405 0.242 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CC[C@@H](C)O)CC1 ZINC000173823976 389510328 /nfs/dbraw/zinc/51/03/28/389510328.db2.gz FCHNKVXJPMIKLL-OLZOCXBDSA-N 2 2 271.405 0.242 20 0 CCADLP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CCc1cc[nH+]cc1C ZINC000423008654 389521291 /nfs/dbraw/zinc/52/12/91/389521291.db2.gz AUGRWTRJJDCPIH-KBPBESRZSA-N 2 2 277.368 0.816 20 0 CCADLP C[C@H]([NH2+]C[C@H]1CC[C@H](C(=O)N(C)C)O1)[C@H]1CCCC[NH2+]1 ZINC000423019227 389522396 /nfs/dbraw/zinc/52/23/96/389522396.db2.gz UTHBXZYBCVRSEL-REWJHTLYSA-N 2 2 283.416 0.742 20 0 CCADLP C[C@H]([NH2+]C[C@H]1CC[C@@H](C(=O)N(C)C)O1)[C@@H]1CCCC[NH2+]1 ZINC000423019223 389522555 /nfs/dbraw/zinc/52/25/55/389522555.db2.gz UTHBXZYBCVRSEL-CRWXNKLISA-N 2 2 283.416 0.742 20 0 CCADLP C[C@H](CO)CCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423018361 389522883 /nfs/dbraw/zinc/52/28/83/389522883.db2.gz YRFYDLMPCWVUHU-UBHSHLNASA-N 2 2 256.390 0.752 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000423022337 389523699 /nfs/dbraw/zinc/52/36/99/389523699.db2.gz DZVAFSSJVUNJSH-BNOWGMLFSA-N 2 2 253.390 0.437 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000423022337 389523702 /nfs/dbraw/zinc/52/37/02/389523702.db2.gz DZVAFSSJVUNJSH-BNOWGMLFSA-N 2 2 253.390 0.437 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CN(C2CC2)CCO1 ZINC000423022337 389523705 /nfs/dbraw/zinc/52/37/05/389523705.db2.gz DZVAFSSJVUNJSH-BNOWGMLFSA-N 2 2 253.390 0.437 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000423088204 389533195 /nfs/dbraw/zinc/53/31/95/389533195.db2.gz RHDDDFYAIGLGSZ-MGPQQGTHSA-N 2 2 297.443 0.990 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000423088204 389533198 /nfs/dbraw/zinc/53/31/98/389533198.db2.gz RHDDDFYAIGLGSZ-MGPQQGTHSA-N 2 2 297.443 0.990 20 0 CCADLP O[C@@H](C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000423100549 389534944 /nfs/dbraw/zinc/53/49/44/389534944.db2.gz BWGCCYBZIWLOSX-ZACQAIPSSA-N 2 2 290.407 0.947 20 0 CCADLP COc1ccc(C[NH2+][C@H](C)C2C[NH2+]C2)c(OC)n1 ZINC000423131632 389539572 /nfs/dbraw/zinc/53/95/72/389539572.db2.gz BDSHEFNDCMXTMI-SECBINFHSA-N 2 2 251.330 0.796 20 0 CCADLP C[C@H](CCO)CC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423146262 389543043 /nfs/dbraw/zinc/54/30/43/389543043.db2.gz OYUREFDTAVJGOJ-FPMFFAJLSA-N 2 2 256.390 0.752 20 0 CCADLP C[C@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCCC[NH2+]1 ZINC000423147707 389544101 /nfs/dbraw/zinc/54/41/01/389544101.db2.gz DBNBCZOMZTUGMV-BYNSBNAKSA-N 2 2 267.417 0.970 20 0 CCADLP C[C@H](NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCCC[NH2+]1 ZINC000423147707 389544105 /nfs/dbraw/zinc/54/41/05/389544105.db2.gz DBNBCZOMZTUGMV-BYNSBNAKSA-N 2 2 267.417 0.970 20 0 CCADLP C[C@H](NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCCC[NH2+]1 ZINC000423147707 389544108 /nfs/dbraw/zinc/54/41/08/389544108.db2.gz DBNBCZOMZTUGMV-BYNSBNAKSA-N 2 2 267.417 0.970 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000423156147 389545669 /nfs/dbraw/zinc/54/56/69/389545669.db2.gz RWGPQAOWOFGAPG-IGQOVBAYSA-N 2 2 253.390 0.437 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423159737 389546700 /nfs/dbraw/zinc/54/67/00/389546700.db2.gz PZGMBOUNTNETRJ-HBNTYKKESA-N 2 2 263.407 0.044 20 0 CCADLP CN(CCCO)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000374246404 389562534 /nfs/dbraw/zinc/56/25/34/389562534.db2.gz XEHJTBUZNDSIOJ-CYBMUJFWSA-N 2 2 298.431 0.179 20 0 CCADLP CN(CCCO)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000374246404 389562537 /nfs/dbraw/zinc/56/25/37/389562537.db2.gz XEHJTBUZNDSIOJ-CYBMUJFWSA-N 2 2 298.431 0.179 20 0 CCADLP CN(CCCO)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000374246405 389562674 /nfs/dbraw/zinc/56/26/74/389562674.db2.gz XEHJTBUZNDSIOJ-ZDUSSCGKSA-N 2 2 298.431 0.179 20 0 CCADLP CN(CCCO)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000374246405 389562678 /nfs/dbraw/zinc/56/26/78/389562678.db2.gz XEHJTBUZNDSIOJ-ZDUSSCGKSA-N 2 2 298.431 0.179 20 0 CCADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)CC(N)=O)cc1 ZINC000423335238 389568238 /nfs/dbraw/zinc/56/82/38/389568238.db2.gz PUHUBFNHAUFUBD-CQDKDKBSSA-N 2 2 291.395 0.994 20 0 CCADLP CC(C)([NH3+])C[N@@H+]1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000334802755 389504953 /nfs/dbraw/zinc/50/49/53/389504953.db2.gz QEBLWSPSTBHETM-LLVKDONJSA-N 2 2 271.430 0.764 20 0 CCADLP CC(C)([NH3+])C[N@H+]1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000334802755 389504959 /nfs/dbraw/zinc/50/49/59/389504959.db2.gz QEBLWSPSTBHETM-LLVKDONJSA-N 2 2 271.430 0.764 20 0 CCADLP COCC[N@H+](C)CCC[NH2+]Cc1cc(C)n(C)n1 ZINC000414271841 389609713 /nfs/dbraw/zinc/60/97/13/389609713.db2.gz NACXCUIJISZZMG-UHFFFAOYSA-N 2 2 254.378 0.786 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+]Cc1cc(C)n(C)n1 ZINC000414271841 389609715 /nfs/dbraw/zinc/60/97/15/389609715.db2.gz NACXCUIJISZZMG-UHFFFAOYSA-N 2 2 254.378 0.786 20 0 CCADLP COCC[N@H+](C)CCC[NH2+]Cc1cnc(N(C)C)n1C ZINC000414269686 389609814 /nfs/dbraw/zinc/60/98/14/389609814.db2.gz KUNUTONYSHZIOC-UHFFFAOYSA-N 2 2 283.420 0.544 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+]Cc1cnc(N(C)C)n1C ZINC000414269686 389609816 /nfs/dbraw/zinc/60/98/16/389609816.db2.gz KUNUTONYSHZIOC-UHFFFAOYSA-N 2 2 283.420 0.544 20 0 CCADLP COCC[N@H+](C)CCCNCc1c[nH+]c(N(C)C)n1C ZINC000414269686 389609818 /nfs/dbraw/zinc/60/98/18/389609818.db2.gz KUNUTONYSHZIOC-UHFFFAOYSA-N 2 2 283.420 0.544 20 0 CCADLP COCC[N@@H+](C)CCCNCc1c[nH+]c(N(C)C)n1C ZINC000414269686 389609820 /nfs/dbraw/zinc/60/98/20/389609820.db2.gz KUNUTONYSHZIOC-UHFFFAOYSA-N 2 2 283.420 0.544 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCNC(=O)C(C)(C)C)n1C ZINC000414321863 389611612 /nfs/dbraw/zinc/61/16/12/389611612.db2.gz DMFIRAKXGBVOIU-UHFFFAOYSA-N 2 2 281.404 0.738 20 0 CCADLP CC(C)[C@@H](C[NH3+])C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424196679 389620982 /nfs/dbraw/zinc/62/09/82/389620982.db2.gz VNFMXPXNTBNXIV-NXEZZACHSA-N 2 2 263.332 0.578 20 0 CCADLP CC[C@H](C)NC(=O)C[NH+]1CCN(CC[NH2+]C(C)(C)C)CC1 ZINC000414669526 389626088 /nfs/dbraw/zinc/62/60/88/389626088.db2.gz BOFYMONBBWAIKM-AWEZNQCLSA-N 2 2 298.475 0.907 20 0 CCADLP C[C@@H]1CCC[C@@H](NC(=O)CN2CC[NH+](CCC[NH3+])CC2)C1 ZINC000414691309 389627644 /nfs/dbraw/zinc/62/76/44/389627644.db2.gz ITHAYFYSPKXVFB-HUUCEWRRSA-N 2 2 296.459 0.648 20 0 CCADLP CC(C)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[N@@H+]1C ZINC000336277684 389629324 /nfs/dbraw/zinc/62/93/24/389629324.db2.gz FOIFSLTWCFQQNB-GFCCVEGCSA-N 2 2 250.346 0.682 20 0 CCADLP CC(C)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[N@H+]1C ZINC000336277684 389629327 /nfs/dbraw/zinc/62/93/27/389629327.db2.gz FOIFSLTWCFQQNB-GFCCVEGCSA-N 2 2 250.346 0.682 20 0 CCADLP C[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000336308188 389631107 /nfs/dbraw/zinc/63/11/07/389631107.db2.gz LMQSHRKSVIAWTL-WCQYABFASA-N 2 2 251.374 0.776 20 0 CCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000336308188 389631115 /nfs/dbraw/zinc/63/11/15/389631115.db2.gz LMQSHRKSVIAWTL-WCQYABFASA-N 2 2 251.374 0.776 20 0 CCADLP C[C@H]1C[NH+](C)CCN1C(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000336308188 389631118 /nfs/dbraw/zinc/63/11/18/389631118.db2.gz LMQSHRKSVIAWTL-WCQYABFASA-N 2 2 251.374 0.776 20 0 CCADLP C[C@H]1C[NH+](C)CCN1C(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000336308188 389631122 /nfs/dbraw/zinc/63/11/22/389631122.db2.gz LMQSHRKSVIAWTL-WCQYABFASA-N 2 2 251.374 0.776 20 0 CCADLP COCCN(C)c1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)cn1 ZINC000414815547 389639599 /nfs/dbraw/zinc/63/95/99/389639599.db2.gz UQLVNTXTAUARHW-AWEZNQCLSA-N 2 2 278.400 0.991 20 0 CCADLP c1cn(-c2ccc(C[NH2+]CCN3CC[NH2+]CC3)cc2)c[nH+]1 ZINC000414862747 389641431 /nfs/dbraw/zinc/64/14/31/389641431.db2.gz HPXQGHRFJHERQX-UHFFFAOYSA-N 3 2 285.395 0.867 20 0 CCADLP CCCNC(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000374425942 389578380 /nfs/dbraw/zinc/57/83/80/389578380.db2.gz ATHALLMGDZSGIR-HZSPNIEDSA-N 2 2 283.416 0.696 20 0 CCADLP CCCNC(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000374425942 389578384 /nfs/dbraw/zinc/57/83/84/389578384.db2.gz ATHALLMGDZSGIR-HZSPNIEDSA-N 2 2 283.416 0.696 20 0 CCADLP CCC(=O)N[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351443329 389583073 /nfs/dbraw/zinc/58/30/73/389583073.db2.gz NEHFKXLMOHCDHL-GXTWGEPZSA-N 2 2 283.416 0.432 20 0 CCADLP CCC(=O)N[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351443329 389583076 /nfs/dbraw/zinc/58/30/76/389583076.db2.gz NEHFKXLMOHCDHL-GXTWGEPZSA-N 2 2 283.416 0.432 20 0 CCADLP CCC(=O)N[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000351443329 389583078 /nfs/dbraw/zinc/58/30/78/389583078.db2.gz NEHFKXLMOHCDHL-GXTWGEPZSA-N 2 2 283.416 0.432 20 0 CCADLP CCC(=O)N[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351443329 389583081 /nfs/dbraw/zinc/58/30/81/389583081.db2.gz NEHFKXLMOHCDHL-GXTWGEPZSA-N 2 2 283.416 0.432 20 0 CCADLP COCCn1cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cn1 ZINC000414907546 389645412 /nfs/dbraw/zinc/64/54/12/389645412.db2.gz AWZXMTMMSYLIGW-WCQYABFASA-N 2 2 252.362 0.617 20 0 CCADLP Cc1ncc(C[NH+]2CCN(C(=O)C3(C)C[NH2+]C3)CC2)s1 ZINC000423422941 389584137 /nfs/dbraw/zinc/58/41/37/389584137.db2.gz DJCFLMZABHAIHI-UHFFFAOYSA-N 2 2 294.424 0.705 20 0 CCADLP COCC[NH+]1CCC([NH2+]CC[C@H]2CCC[NH2+]2)CC1 ZINC000414905231 389645432 /nfs/dbraw/zinc/64/54/32/389645432.db2.gz NIYNPJOHMMWEDM-CYBMUJFWSA-N 3 2 255.406 0.829 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)CC1 ZINC000423428804 389584947 /nfs/dbraw/zinc/58/49/47/389584947.db2.gz RTGBNHOMFZUDEM-GJZGRUSLSA-N 2 2 297.443 0.944 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2CCN3CCOC[C@H]3C2)n1C ZINC000425336398 389645466 /nfs/dbraw/zinc/64/54/66/389645466.db2.gz KUZVADUOMGMPCO-CYBMUJFWSA-N 2 2 279.388 0.003 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2CCN3CCOC[C@H]3C2)n1C ZINC000425336398 389645467 /nfs/dbraw/zinc/64/54/67/389645467.db2.gz KUZVADUOMGMPCO-CYBMUJFWSA-N 2 2 279.388 0.003 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000423457154 389590125 /nfs/dbraw/zinc/59/01/25/389590125.db2.gz FNMYJQJGTAKOAP-UMVBOHGHSA-N 2 2 295.427 0.826 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000423457154 389590132 /nfs/dbraw/zinc/59/01/32/389590132.db2.gz FNMYJQJGTAKOAP-UMVBOHGHSA-N 2 2 295.427 0.826 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423465955 389590840 /nfs/dbraw/zinc/59/08/40/389590840.db2.gz AFRKHLLYRVZEEZ-MGPQQGTHSA-N 3 2 255.406 0.875 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000351490663 389591282 /nfs/dbraw/zinc/59/12/82/389591282.db2.gz IQTZFZWJWFLVIS-ZMLRMANQSA-N 2 2 262.357 0.914 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000351490663 389591288 /nfs/dbraw/zinc/59/12/88/389591288.db2.gz IQTZFZWJWFLVIS-ZMLRMANQSA-N 2 2 262.357 0.914 20 0 CCADLP Cc1csc(=O)n1CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000335709675 389592184 /nfs/dbraw/zinc/59/21/84/389592184.db2.gz LAHRUCWGXLCVBK-PHIMTYICSA-N 2 2 253.371 0.369 20 0 CCADLP Cc1csc(=O)n1CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000335709675 389592190 /nfs/dbraw/zinc/59/21/90/389592190.db2.gz LAHRUCWGXLCVBK-PHIMTYICSA-N 2 2 253.371 0.369 20 0 CCADLP C(C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)C[C@@H]1CCC[NH2+]1 ZINC000423474840 389592278 /nfs/dbraw/zinc/59/22/78/389592278.db2.gz HSDKYBBCDNNOBO-SOUVJXGZSA-N 3 2 267.417 0.875 20 0 CCADLP Cc1cc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)on1 ZINC000351502026 389597414 /nfs/dbraw/zinc/59/74/14/389597414.db2.gz YTQZMQIRDKVATH-NNYUYHANSA-N 2 2 278.356 0.979 20 0 CCADLP Cc1cc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)on1 ZINC000351502026 389597416 /nfs/dbraw/zinc/59/74/16/389597416.db2.gz YTQZMQIRDKVATH-NNYUYHANSA-N 2 2 278.356 0.979 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000414049532 389598184 /nfs/dbraw/zinc/59/81/84/389598184.db2.gz HZIXNYNFWBUXGQ-UHFFFAOYSA-N 2 2 285.432 0.896 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000414049532 389598188 /nfs/dbraw/zinc/59/81/88/389598188.db2.gz HZIXNYNFWBUXGQ-UHFFFAOYSA-N 2 2 285.432 0.896 20 0 CCADLP C[C@@H]1C[N@H+](Cc2c[nH+]c(N(C)C)n2C)CC[C@@H]1O ZINC000425330959 389646130 /nfs/dbraw/zinc/64/61/30/389646130.db2.gz BHZFPXMNHUEPTJ-PWSUYJOCSA-N 2 2 252.362 0.689 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2c[nH+]c(N(C)C)n2C)CC[C@@H]1O ZINC000425330959 389646134 /nfs/dbraw/zinc/64/61/34/389646134.db2.gz BHZFPXMNHUEPTJ-PWSUYJOCSA-N 2 2 252.362 0.689 20 0 CCADLP C(C[NH2+]C1CC1)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423524468 389600325 /nfs/dbraw/zinc/60/03/25/389600325.db2.gz JLQWRIKPSHAMOB-RRFJBIMHSA-N 3 2 267.417 0.875 20 0 CCADLP CN1CC[NH2+]C[C@@H]1CNCc1[nH+]ccn1Cc1ccccc1 ZINC000414970565 389649238 /nfs/dbraw/zinc/64/92/38/389649238.db2.gz VCUCKZLKNUQYQN-MRXNPFEDSA-N 2 2 299.422 0.925 20 0 CCADLP CC[C@@H]([NH3+])C[NH2+]Cc1ccccc1OCC(=O)N(C)C ZINC000414973454 389651307 /nfs/dbraw/zinc/65/13/07/389651307.db2.gz CCQCOVFMPHHXCA-CYBMUJFWSA-N 2 2 279.384 0.981 20 0 CCADLP COc1cc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc2c1OCO2 ZINC000415048144 389654559 /nfs/dbraw/zinc/65/45/59/389654559.db2.gz WVHZBUAPEGCOIS-GFCCVEGCSA-N 2 2 294.351 0.892 20 0 CCADLP c1cc(NC[C@H]2CCC[NH2+]C2)[nH+]cc1N1CCOCC1 ZINC000415081739 389656129 /nfs/dbraw/zinc/65/61/29/389656129.db2.gz KWXGXFLFUYFMTP-ZDUSSCGKSA-N 2 2 276.384 0.752 20 0 CCADLP Cn1cc(CN2C[C@@H](F)C[C@H]2C[NH2+][C@@H]2CCC[NH2+]C2)cn1 ZINC000415108783 389660829 /nfs/dbraw/zinc/66/08/29/389660829.db2.gz QLPJTBKQDMTVEP-ZNMIVQPWSA-N 2 2 295.406 0.674 20 0 CCADLP Cn1c2ccc(C[N@H+](C)CC[NH3+])cc2sc1=O ZINC000415107796 389660896 /nfs/dbraw/zinc/66/08/96/389660896.db2.gz LRGSKXPYAJPFQC-UHFFFAOYSA-N 2 2 251.355 0.991 20 0 CCADLP Cn1c2ccc(C[N@@H+](C)CC[NH3+])cc2sc1=O ZINC000415107796 389660897 /nfs/dbraw/zinc/66/08/97/389660897.db2.gz LRGSKXPYAJPFQC-UHFFFAOYSA-N 2 2 251.355 0.991 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428353175 389693178 /nfs/dbraw/zinc/69/31/78/389693178.db2.gz TXYJFSNXJDEFEQ-NSHDSACASA-N 2 2 250.346 0.654 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428353175 389693182 /nfs/dbraw/zinc/69/31/82/389693182.db2.gz TXYJFSNXJDEFEQ-NSHDSACASA-N 2 2 250.346 0.654 20 0 CCADLP CC[C@@H](C(=O)N[C@H]1CCn2cc[nH+]c2C1)[NH+](C)C ZINC000428345048 389693386 /nfs/dbraw/zinc/69/33/86/389693386.db2.gz BGKRDRCPDRELRZ-QWRGUYRKSA-N 2 2 250.346 0.654 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351854817 389699617 /nfs/dbraw/zinc/69/96/17/389699617.db2.gz RSRUFDYNMWVTRJ-AXFHLTTASA-N 2 2 263.345 0.473 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351854817 389699619 /nfs/dbraw/zinc/69/96/19/389699619.db2.gz RSRUFDYNMWVTRJ-AXFHLTTASA-N 2 2 263.345 0.473 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000351855276 389699662 /nfs/dbraw/zinc/69/96/62/389699662.db2.gz SIJYZXAIFREHRK-MFKMUULPSA-N 2 2 265.401 0.960 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000351855276 389699664 /nfs/dbraw/zinc/69/96/64/389699664.db2.gz SIJYZXAIFREHRK-MFKMUULPSA-N 2 2 265.401 0.960 20 0 CCADLP Cc1cc(N2CC[C@H]([N@@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)C2=O)n(C)n1 ZINC000351859208 389700832 /nfs/dbraw/zinc/70/08/32/389700832.db2.gz FWFPIIDGWRTIMR-UPJWGTAASA-N 2 2 291.399 0.503 20 0 CCADLP Cc1cc(N2CC[C@H]([N@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)C2=O)n(C)n1 ZINC000351859208 389700835 /nfs/dbraw/zinc/70/08/35/389700835.db2.gz FWFPIIDGWRTIMR-UPJWGTAASA-N 2 2 291.399 0.503 20 0 CCADLP C[NH+](CC(O)C[N@@H+](C)[C@H]1CCCOC1)[C@H]1CCCOC1 ZINC000352187211 389767995 /nfs/dbraw/zinc/76/79/95/389767995.db2.gz QENVCLOLQGQQIW-KBPBESRZSA-N 2 2 286.416 0.569 20 0 CCADLP C[NH+](CC(O)C[N@H+](C)[C@H]1CCCOC1)[C@H]1CCCOC1 ZINC000352187211 389767997 /nfs/dbraw/zinc/76/79/97/389767997.db2.gz QENVCLOLQGQQIW-KBPBESRZSA-N 2 2 286.416 0.569 20 0 CCADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000429790892 389771201 /nfs/dbraw/zinc/77/12/01/389771201.db2.gz SGGVSDGHWOKNOD-NEPJUHHUSA-N 2 2 250.346 0.778 20 0 CCADLP C[C@H](CCO)CC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000397797719 389779476 /nfs/dbraw/zinc/77/94/76/389779476.db2.gz VGTZJHMWUGNNQN-NSHDSACASA-N 2 2 254.378 0.984 20 0 CCADLP Cc1cc(NC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)cc[nH+]1 ZINC000416953646 389784281 /nfs/dbraw/zinc/78/42/81/389784281.db2.gz PDQIANQMTRWFRS-STQMWFEESA-N 2 2 292.383 0.731 20 0 CCADLP Cc1cc(NC(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)cc[nH+]1 ZINC000416953646 389784284 /nfs/dbraw/zinc/78/42/84/389784284.db2.gz PDQIANQMTRWFRS-STQMWFEESA-N 2 2 292.383 0.731 20 0 CCADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CC[NH2+]CC1 ZINC000416975003 389786151 /nfs/dbraw/zinc/78/61/51/389786151.db2.gz NEQHVQDMQCNHKF-UHFFFAOYSA-N 2 2 289.383 0.797 20 0 CCADLP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000417015058 389789794 /nfs/dbraw/zinc/78/97/94/389789794.db2.gz LXTOBDQOWDLNDZ-AAEUAGOBSA-N 2 2 291.399 0.945 20 0 CCADLP CN(C)c1ccc(CNC(=O)NC(C)(C)C[NH3+])c[nH+]1 ZINC000417016121 389790222 /nfs/dbraw/zinc/79/02/22/389790222.db2.gz NOQLZYLMNWVQSV-UHFFFAOYSA-N 2 2 265.361 0.684 20 0 CCADLP CC(C)[C@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[C@@H](C)[NH3+] ZINC000399669111 389793796 /nfs/dbraw/zinc/79/37/96/389793796.db2.gz RUCHBENIVNPZBO-RDBSUJKOSA-N 2 2 283.416 0.539 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+](C)[C@@H]2CCSC2)[C@@H](C)C[N@@H+]1C ZINC000352029958 389738922 /nfs/dbraw/zinc/73/89/22/389738922.db2.gz SWSKJUHRWRQWLD-FRRDWIJNSA-N 2 2 285.457 0.975 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+](C)[C@@H]2CCSC2)[C@@H](C)C[N@H+]1C ZINC000352029958 389738926 /nfs/dbraw/zinc/73/89/26/389738926.db2.gz SWSKJUHRWRQWLD-FRRDWIJNSA-N 2 2 285.457 0.975 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+](C)[C@@H]2CCSC2)[C@@H](C)C[NH+]1C ZINC000352029958 389738930 /nfs/dbraw/zinc/73/89/30/389738930.db2.gz SWSKJUHRWRQWLD-FRRDWIJNSA-N 2 2 285.457 0.975 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)[C@@H](C)C[NH+]1C ZINC000352029958 389738934 /nfs/dbraw/zinc/73/89/34/389738934.db2.gz SWSKJUHRWRQWLD-FRRDWIJNSA-N 2 2 285.457 0.975 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000416430647 389742149 /nfs/dbraw/zinc/74/21/49/389742149.db2.gz DELZRMNLPUTWIY-QWRGUYRKSA-N 2 2 253.350 0.554 20 0 CCADLP [NH3+][C@H]1CCC[C@@H](CNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000416438393 389743806 /nfs/dbraw/zinc/74/38/06/389743806.db2.gz ODPGEHVCASKOJO-OLZOCXBDSA-N 2 2 284.404 0.135 20 0 CCADLP C[C@@H](C(=O)N1CCC[C@H]([NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000430437979 389801487 /nfs/dbraw/zinc/80/14/87/389801487.db2.gz WXWQTYBOXXQOPI-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)NCCC[NH3+])cn2c1 ZINC000417193598 389802033 /nfs/dbraw/zinc/80/20/33/389802033.db2.gz PCQNFBXOZPVLJX-UHFFFAOYSA-N 2 2 261.329 0.791 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)CC(C)(C)C[NH3+])CC1 ZINC000430562337 389807438 /nfs/dbraw/zinc/80/74/38/389807438.db2.gz DFUGTQWUGZCMAY-UHFFFAOYSA-N 3 2 298.475 0.892 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)CC(C)(C)C[NH3+])CC1 ZINC000430562337 389807441 /nfs/dbraw/zinc/80/74/41/389807441.db2.gz DFUGTQWUGZCMAY-UHFFFAOYSA-N 3 2 298.475 0.892 20 0 CCADLP C[C@](C[NH3+])([NH2+]Cc1cc(=O)n2[nH]ccc2n1)C1CC1 ZINC000430587958 389810062 /nfs/dbraw/zinc/81/00/62/389810062.db2.gz XRXGPAHLZJXRAI-CYBMUJFWSA-N 2 2 261.329 0.240 20 0 CCADLP C[C@](C[NH3+])([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)C1CC1 ZINC000430589159 389810828 /nfs/dbraw/zinc/81/08/28/389810828.db2.gz COFVXCPXBUXCLW-GXSJLCMTSA-N 2 2 279.306 0.867 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430604568 389812302 /nfs/dbraw/zinc/81/23/02/389812302.db2.gz NVMYHBZPEGNBCK-NEPJUHHUSA-N 2 2 284.404 0.527 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430604568 389812305 /nfs/dbraw/zinc/81/23/05/389812305.db2.gz NVMYHBZPEGNBCK-NEPJUHHUSA-N 2 2 284.404 0.527 20 0 CCADLP COc1coc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1=O ZINC000430611131 389812741 /nfs/dbraw/zinc/81/27/41/389812741.db2.gz NIBZMANNNXIOBL-JTQLQIEISA-N 2 2 252.314 0.819 20 0 CCADLP COc1coc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1=O ZINC000430611131 389812743 /nfs/dbraw/zinc/81/27/43/389812743.db2.gz NIBZMANNNXIOBL-JTQLQIEISA-N 2 2 252.314 0.819 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430610466 389812838 /nfs/dbraw/zinc/81/28/38/389812838.db2.gz KQGRHHFSNWLVFR-ZJUUUORDSA-N 2 2 268.361 0.034 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430610466 389812840 /nfs/dbraw/zinc/81/28/40/389812840.db2.gz KQGRHHFSNWLVFR-ZJUUUORDSA-N 2 2 268.361 0.034 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000430615304 389813044 /nfs/dbraw/zinc/81/30/44/389813044.db2.gz BDGAALLRLBFXCS-UONOGXRCSA-N 2 2 285.432 0.849 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000430615304 389813045 /nfs/dbraw/zinc/81/30/45/389813045.db2.gz BDGAALLRLBFXCS-UONOGXRCSA-N 2 2 285.432 0.849 20 0 CCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430628503 389814314 /nfs/dbraw/zinc/81/43/14/389814314.db2.gz OTQREDWXJLOKLY-GHMZBOCLSA-N 2 2 284.404 0.670 20 0 CCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430628503 389814315 /nfs/dbraw/zinc/81/43/15/389814315.db2.gz OTQREDWXJLOKLY-GHMZBOCLSA-N 2 2 284.404 0.670 20 0 CCADLP C[N@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)C1CC[NH2+]CC1 ZINC000430621835 389814339 /nfs/dbraw/zinc/81/43/39/389814339.db2.gz KKWNLQRGUZGAJJ-HUUCEWRRSA-N 2 2 295.427 0.840 20 0 CCADLP C[N@@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)C1CC[NH2+]CC1 ZINC000430621835 389814341 /nfs/dbraw/zinc/81/43/41/389814341.db2.gz KKWNLQRGUZGAJJ-HUUCEWRRSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@H](NC(=O)[C@@]1(C)CC[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000430717944 389820093 /nfs/dbraw/zinc/82/00/93/389820093.db2.gz ZWCDUQYLDDAPJA-OBJOEFQTSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC(C)(C)OCCO ZINC000352504954 389820405 /nfs/dbraw/zinc/82/04/05/389820405.db2.gz WMSYSZGPMWYCPF-AAEUAGOBSA-N 2 2 256.390 0.846 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC(C)(C)OCCO ZINC000352504954 389820408 /nfs/dbraw/zinc/82/04/08/389820408.db2.gz WMSYSZGPMWYCPF-AAEUAGOBSA-N 2 2 256.390 0.846 20 0 CCADLP COc1ccccc1[C@@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000430726627 389821205 /nfs/dbraw/zinc/82/12/05/389821205.db2.gz FCJZCEAZHYPREL-SMDDNHRTSA-N 2 2 277.368 0.858 20 0 CCADLP COc1ccccc1[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000430726627 389821207 /nfs/dbraw/zinc/82/12/07/389821207.db2.gz FCJZCEAZHYPREL-SMDDNHRTSA-N 2 2 277.368 0.858 20 0 CCADLP C[NH2+][C@@H]1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000417503534 389822335 /nfs/dbraw/zinc/82/23/35/389822335.db2.gz KUQOPKMSNLKPED-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP C[NH2+][C@@H]1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000417503534 389822339 /nfs/dbraw/zinc/82/23/39/389822339.db2.gz KUQOPKMSNLKPED-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP CC(C)([NH3+])CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000417504739 389822435 /nfs/dbraw/zinc/82/24/35/389822435.db2.gz MCMYTAKSMJUUAR-UHFFFAOYSA-N 2 2 272.393 0.134 20 0 CCADLP CC(C)([NH3+])CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000417504739 389822438 /nfs/dbraw/zinc/82/24/38/389822438.db2.gz MCMYTAKSMJUUAR-UHFFFAOYSA-N 2 2 272.393 0.134 20 0 CCADLP C[C@@H]([NH3+])C1CCN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000417528822 389826908 /nfs/dbraw/zinc/82/69/08/389826908.db2.gz QBHKNLZEMAEXBD-QWHCGFSZSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H]([NH3+])C1CCN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000417528822 389826910 /nfs/dbraw/zinc/82/69/10/389826910.db2.gz QBHKNLZEMAEXBD-QWHCGFSZSA-N 2 2 298.431 0.476 20 0 CCADLP COc1ccccc1[C@H]([NH3+])C(=O)NCCn1cc[nH+]c1 ZINC000430830639 389828371 /nfs/dbraw/zinc/82/83/71/389828371.db2.gz PCVVRCAAUUNNNO-ZDUSSCGKSA-N 2 2 274.324 0.708 20 0 CCADLP C[C@]1(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC[NH2+]C1 ZINC000430876846 389830574 /nfs/dbraw/zinc/83/05/74/389830574.db2.gz TXEZKDZWTHDNBN-AWEZNQCLSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@]1(C(=O)NCC[N@H+]2CCOCC2(C)C)CC[NH2+]C1 ZINC000430876846 389830578 /nfs/dbraw/zinc/83/05/78/389830578.db2.gz TXEZKDZWTHDNBN-AWEZNQCLSA-N 2 2 269.389 0.213 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000441353304 389831603 /nfs/dbraw/zinc/83/16/03/389831603.db2.gz ZCBMDDRSISAUCA-HUUCEWRRSA-N 3 2 282.476 0.942 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000441353304 389831605 /nfs/dbraw/zinc/83/16/05/389831605.db2.gz ZCBMDDRSISAUCA-HUUCEWRRSA-N 3 2 282.476 0.942 20 0 CCADLP CC[NH+]1C[C@@H](C)[C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000441353304 389831607 /nfs/dbraw/zinc/83/16/07/389831607.db2.gz ZCBMDDRSISAUCA-HUUCEWRRSA-N 3 2 282.476 0.942 20 0 CCADLP CC[NH+]1C[C@@H](C)[C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000441353304 389831610 /nfs/dbraw/zinc/83/16/10/389831610.db2.gz ZCBMDDRSISAUCA-HUUCEWRRSA-N 3 2 282.476 0.942 20 0 CCADLP COc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000430936110 389836527 /nfs/dbraw/zinc/83/65/27/389836527.db2.gz XEFRZBNLRKKQPM-ZDUSSCGKSA-N 2 2 277.368 0.592 20 0 CCADLP COc1ccc(CNC(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000430936110 389836529 /nfs/dbraw/zinc/83/65/29/389836529.db2.gz XEFRZBNLRKKQPM-ZDUSSCGKSA-N 2 2 277.368 0.592 20 0 CCADLP CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000430930169 389836566 /nfs/dbraw/zinc/83/65/66/389836566.db2.gz ZXQWVHYWRGCEHQ-GFCCVEGCSA-N 2 2 290.367 0.864 20 0 CCADLP CC(=O)Nc1cccc(NC(=O)C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000430930169 389836570 /nfs/dbraw/zinc/83/65/70/389836570.db2.gz ZXQWVHYWRGCEHQ-GFCCVEGCSA-N 2 2 290.367 0.864 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC[C@@H]1[NH3+] ZINC000430936618 389836908 /nfs/dbraw/zinc/83/69/08/389836908.db2.gz VHJPGQSRSYWWGY-WFASDCNBSA-N 3 2 294.443 0.399 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC[C@@H]1[NH3+] ZINC000430936618 389836910 /nfs/dbraw/zinc/83/69/10/389836910.db2.gz VHJPGQSRSYWWGY-WFASDCNBSA-N 3 2 294.443 0.399 20 0 CCADLP COc1ccc(NC(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)cc1OC ZINC000430954961 389840481 /nfs/dbraw/zinc/84/04/81/389840481.db2.gz KTZWQPXDSZZETI-LLVKDONJSA-N 2 2 293.367 0.923 20 0 CCADLP COc1ccc(NC(=O)C[N@H+]2CC[C@H](C[NH3+])C2)cc1OC ZINC000430954961 389840483 /nfs/dbraw/zinc/84/04/83/389840483.db2.gz KTZWQPXDSZZETI-LLVKDONJSA-N 2 2 293.367 0.923 20 0 CCADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430959902 389840875 /nfs/dbraw/zinc/84/08/75/389840875.db2.gz FIRHBFQMNXRGQR-ILXRZTDVSA-N 2 2 297.443 0.979 20 0 CCADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430959902 389840880 /nfs/dbraw/zinc/84/08/80/389840880.db2.gz FIRHBFQMNXRGQR-ILXRZTDVSA-N 2 2 297.443 0.979 20 0 CCADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)NC(=O)NCc2ccccc2)C1 ZINC000430960918 389841387 /nfs/dbraw/zinc/84/13/87/389841387.db2.gz LVIJSOVOADOFGD-ZDUSSCGKSA-N 2 2 290.367 0.293 20 0 CCADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NCc2ccccc2)C1 ZINC000430960918 389841388 /nfs/dbraw/zinc/84/13/88/389841388.db2.gz LVIJSOVOADOFGD-ZDUSSCGKSA-N 2 2 290.367 0.293 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)CC1 ZINC000430969719 389841692 /nfs/dbraw/zinc/84/16/92/389841692.db2.gz DVZWEUWQYRBEAJ-OCCSQVGLSA-N 3 2 282.432 0.256 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)CC1 ZINC000430969719 389841693 /nfs/dbraw/zinc/84/16/93/389841693.db2.gz DVZWEUWQYRBEAJ-OCCSQVGLSA-N 3 2 282.432 0.256 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000417829749 389854105 /nfs/dbraw/zinc/85/41/05/389854105.db2.gz ITDUFPTXQNFAJP-GARJFASQSA-N 2 2 275.343 0.736 20 0 CCADLP CC[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)C1(C(=O)OC)CCC1 ZINC000354092711 389859191 /nfs/dbraw/zinc/85/91/91/389859191.db2.gz OWNRIRLFAPHACB-UONOGXRCSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)C1(C(=O)OC)CCC1 ZINC000354092711 389859193 /nfs/dbraw/zinc/85/91/93/389859193.db2.gz OWNRIRLFAPHACB-UONOGXRCSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H](CC[NH3+])NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000417933026 389861509 /nfs/dbraw/zinc/86/15/09/389861509.db2.gz XBAJDQUOFZVVGL-NEPJUHHUSA-N 2 2 277.372 0.697 20 0 CCADLP C[N@H+](CC(=O)Nc1ccncc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442762010 389861753 /nfs/dbraw/zinc/86/17/53/389861753.db2.gz DQFJHEMPLZYPMX-PBWFPOADSA-N 2 2 274.368 0.657 20 0 CCADLP C[N@@H+](CC(=O)Nc1ccncc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442762010 389861756 /nfs/dbraw/zinc/86/17/56/389861756.db2.gz DQFJHEMPLZYPMX-PBWFPOADSA-N 2 2 274.368 0.657 20 0 CCADLP COc1coc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1=O ZINC000442759167 389861772 /nfs/dbraw/zinc/86/17/72/389861772.db2.gz QIBFKQOSLRGFAO-ZJUUUORDSA-N 2 2 252.314 0.818 20 0 CCADLP COc1coc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1=O ZINC000442759167 389861774 /nfs/dbraw/zinc/86/17/74/389861774.db2.gz QIBFKQOSLRGFAO-ZJUUUORDSA-N 2 2 252.314 0.818 20 0 CCADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cnnn2C)CCCO1 ZINC000432360527 389878877 /nfs/dbraw/zinc/87/88/77/389878877.db2.gz WGHBMCRISPBFRQ-GFCCVEGCSA-N 2 2 267.377 0.406 20 0 CCADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cnnn2C)CCCO1 ZINC000432360527 389878879 /nfs/dbraw/zinc/87/88/79/389878879.db2.gz WGHBMCRISPBFRQ-GFCCVEGCSA-N 2 2 267.377 0.406 20 0 CCADLP C[C@@H](C[NH3+])NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000418575703 389879733 /nfs/dbraw/zinc/87/97/33/389879733.db2.gz WZLFMMQISISOCV-STQMWFEESA-N 2 2 291.399 0.817 20 0 CCADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)[C@H]1CC[NH2+]1 ZINC000444170497 389894024 /nfs/dbraw/zinc/89/40/24/389894024.db2.gz RYKKYHVGHMFRBQ-CQSZACIVSA-N 2 2 270.336 0.910 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000433157459 389902048 /nfs/dbraw/zinc/90/20/48/389902048.db2.gz MIVQNZZKQHCOKJ-LBPRGKRZSA-N 2 2 264.373 0.995 20 0 CCADLP C/C=C/C[C@H](CO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000419691972 389906583 /nfs/dbraw/zinc/90/65/83/389906583.db2.gz XMFFGPROQZOKBV-MVIFTORASA-N 2 2 252.362 0.903 20 0 CCADLP CCOC1CC(O)(C[NH2+]Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000419690142 389906654 /nfs/dbraw/zinc/90/66/54/389906654.db2.gz BOAMAAACYRWYRQ-UHFFFAOYSA-N 2 2 282.388 0.506 20 0 CCADLP C[N@H+](CC(=O)Nc1ccncc1)[C@@H]1CCC[NH2+]CC1 ZINC000435615414 389959229 /nfs/dbraw/zinc/95/92/29/389959229.db2.gz IZAQUJDPIVLLJF-CYBMUJFWSA-N 2 2 262.357 0.516 20 0 CCADLP C[N@@H+](CC(=O)Nc1ccncc1)[C@@H]1CCC[NH2+]CC1 ZINC000435615414 389959233 /nfs/dbraw/zinc/95/92/33/389959233.db2.gz IZAQUJDPIVLLJF-CYBMUJFWSA-N 2 2 262.357 0.516 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@H]2CCC[NH2+]CC2)CC1 ZINC000435622167 389959413 /nfs/dbraw/zinc/95/94/13/389959413.db2.gz QJJTWFMNGYVTOI-HNNXBMFYSA-N 3 2 296.459 0.661 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2CCC[NH2+]CC2)CC1 ZINC000435622167 389959414 /nfs/dbraw/zinc/95/94/14/389959414.db2.gz QJJTWFMNGYVTOI-HNNXBMFYSA-N 3 2 296.459 0.661 20 0 CCADLP CC[C@H](C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)[NH+](C)C ZINC000447659994 389961861 /nfs/dbraw/zinc/96/18/61/389961861.db2.gz PYSGMNCAHKWOGP-QWHCGFSZSA-N 2 2 271.405 0.506 20 0 CCADLP Cc1nc2[nH]ccc2c(NC[C@H]2C[N@H+](C)CCO2)[nH+]1 ZINC000433782604 389919265 /nfs/dbraw/zinc/91/92/65/389919265.db2.gz JSMUIFCWVDEWHQ-JTQLQIEISA-N 2 2 261.329 0.431 20 0 CCADLP Cc1nc2[nH]ccc2c(NC[C@H]2C[N@@H+](C)CCO2)[nH+]1 ZINC000433782604 389919267 /nfs/dbraw/zinc/91/92/67/389919267.db2.gz JSMUIFCWVDEWHQ-JTQLQIEISA-N 2 2 261.329 0.431 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](O)C(C)(C)C2)CC1 ZINC000446066254 389929401 /nfs/dbraw/zinc/92/94/01/389929401.db2.gz JWKHRGQJYIPBAB-KGLIPLIRSA-N 2 2 297.443 0.632 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](O)C(C)(C)C2)CC1 ZINC000446066254 389929404 /nfs/dbraw/zinc/92/94/04/389929404.db2.gz JWKHRGQJYIPBAB-KGLIPLIRSA-N 2 2 297.443 0.632 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@H](C)[C@@H](C)O1 ZINC000446077191 389930503 /nfs/dbraw/zinc/93/05/03/389930503.db2.gz JBIJKYVGXXXJPT-JHJVBQTASA-N 2 2 269.389 0.258 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@H](C)[C@@H](C)O1 ZINC000446077191 389930505 /nfs/dbraw/zinc/93/05/05/389930505.db2.gz JBIJKYVGXXXJPT-JHJVBQTASA-N 2 2 269.389 0.258 20 0 CCADLP CCOCC[C@@H](O)C[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000434628846 389938592 /nfs/dbraw/zinc/93/85/92/389938592.db2.gz FDIQSFSZYAZFLP-CQSZACIVSA-N 2 2 296.415 0.325 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCCN(c2ccnn2C)C1 ZINC000447065134 389945702 /nfs/dbraw/zinc/94/57/02/389945702.db2.gz FPIAMOACQJAILY-HZSPNIEDSA-N 2 2 277.416 0.929 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCCN(c2ccnn2C)C1 ZINC000447065134 389945704 /nfs/dbraw/zinc/94/57/04/389945704.db2.gz FPIAMOACQJAILY-HZSPNIEDSA-N 2 2 277.416 0.929 20 0 CCADLP C[C@H](O)CNc1cc(NC[C@H]2CCC[C@@H]([NH3+])C2)[nH+]cn1 ZINC000420279100 389976729 /nfs/dbraw/zinc/97/67/29/389976729.db2.gz JQFBDRBEIAZRPP-SDDRHHMPSA-N 2 2 279.388 0.621 20 0 CCADLP C[C@H](O)CNc1cc(NC[C@H]2CCC[C@@H]([NH3+])C2)nc[nH+]1 ZINC000420279100 389976731 /nfs/dbraw/zinc/97/67/31/389976731.db2.gz JQFBDRBEIAZRPP-SDDRHHMPSA-N 2 2 279.388 0.621 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000448231919 389980785 /nfs/dbraw/zinc/98/07/85/389980785.db2.gz VPDAJVKNLZDGMG-DZGCQCFKSA-N 2 2 291.395 0.913 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000448231919 389980788 /nfs/dbraw/zinc/98/07/88/389980788.db2.gz VPDAJVKNLZDGMG-DZGCQCFKSA-N 2 2 291.395 0.913 20 0 CCADLP CCOC(=O)[C@H](CC)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420307056 389981506 /nfs/dbraw/zinc/98/15/06/389981506.db2.gz LRMUFORGRJDQAC-STQMWFEESA-N 2 2 297.399 0.224 20 0 CCADLP CCOC(=O)[C@H](CC)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420307056 389981508 /nfs/dbraw/zinc/98/15/08/389981508.db2.gz LRMUFORGRJDQAC-STQMWFEESA-N 2 2 297.399 0.224 20 0 CCADLP CC[C@@H](C)[C@H](NC(=O)C[NH2+]CC1([NH3+])CCC1)C(=O)OC ZINC000420311683 389982055 /nfs/dbraw/zinc/98/20/55/389982055.db2.gz RELVTTUYLRCDAZ-PWSUYJOCSA-N 2 2 285.388 0.161 20 0 CCADLP CCCCCNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420324398 389983325 /nfs/dbraw/zinc/98/33/25/389983325.db2.gz ZPWLTRPMDBZDBQ-QWHCGFSZSA-N 2 2 253.390 0.834 20 0 CCADLP CCCCCNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420324398 389983326 /nfs/dbraw/zinc/98/33/26/389983326.db2.gz ZPWLTRPMDBZDBQ-QWHCGFSZSA-N 2 2 253.390 0.834 20 0 CCADLP CCCCCNC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420324397 389983567 /nfs/dbraw/zinc/98/35/67/389983567.db2.gz ZPWLTRPMDBZDBQ-OLZOCXBDSA-N 2 2 253.390 0.834 20 0 CCADLP CCCCCNC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420324397 389983568 /nfs/dbraw/zinc/98/35/68/389983568.db2.gz ZPWLTRPMDBZDBQ-OLZOCXBDSA-N 2 2 253.390 0.834 20 0 CCADLP COC(=O)c1cccc(NC(=O)C[N@H+](C)C2CC([NH3+])C2)c1 ZINC000420334531 389985170 /nfs/dbraw/zinc/98/51/70/389985170.db2.gz OUJFUMZJWOABSV-UHFFFAOYSA-N 2 2 291.351 0.833 20 0 CCADLP COC(=O)c1cccc(NC(=O)C[N@@H+](C)C2CC([NH3+])C2)c1 ZINC000420334531 389985172 /nfs/dbraw/zinc/98/51/72/389985172.db2.gz OUJFUMZJWOABSV-UHFFFAOYSA-N 2 2 291.351 0.833 20 0 CCADLP CC(C)N(Cc1ccccc1)C(=O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420350103 389988555 /nfs/dbraw/zinc/98/85/55/389988555.db2.gz FVTKTFDLYWEOEF-HNNXBMFYSA-N 2 2 293.411 0.675 20 0 CCADLP CC(C)N(Cc1ccccc1)C(=O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420350103 389988557 /nfs/dbraw/zinc/98/85/57/389988557.db2.gz FVTKTFDLYWEOEF-HNNXBMFYSA-N 2 2 293.411 0.675 20 0 CCADLP O=C(NCC[NH+]1CCCC1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000448609118 389989088 /nfs/dbraw/zinc/98/90/88/389989088.db2.gz ZBAKBVPPVYLYTE-HNNXBMFYSA-N 2 2 295.427 0.699 20 0 CCADLP O=C(NCC[NH+]1CCCC1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000448609118 389989091 /nfs/dbraw/zinc/98/90/91/389989091.db2.gz ZBAKBVPPVYLYTE-HNNXBMFYSA-N 2 2 295.427 0.699 20 0 CCADLP CC(C)N1CC[C@H]([NH2+][C@H]2[C@H](C)CC[NH2+][C@@H]2C)C1=O ZINC000420357921 389990798 /nfs/dbraw/zinc/99/07/98/389990798.db2.gz DXTCNQWLUOZKGJ-NDBYEHHHSA-N 2 2 253.390 0.972 20 0 CCADLP CC(C)N1CC[C@@H]([NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)C1=O ZINC000420357915 389990877 /nfs/dbraw/zinc/99/08/77/389990877.db2.gz DXTCNQWLUOZKGJ-FDYHWXHSSA-N 2 2 253.390 0.972 20 0 CCADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000420356024 389991073 /nfs/dbraw/zinc/99/10/73/389991073.db2.gz QEXDTZXVWJFWEE-OLZOCXBDSA-N 2 2 279.384 0.882 20 0 CCADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000420356024 389991074 /nfs/dbraw/zinc/99/10/74/389991074.db2.gz QEXDTZXVWJFWEE-OLZOCXBDSA-N 2 2 279.384 0.882 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)CC1 ZINC000420358608 389991485 /nfs/dbraw/zinc/99/14/85/389991485.db2.gz FODOFECCQTWKPM-HEHGZKQESA-N 3 2 296.459 0.563 20 0 CCADLP C[N@@H+](CC(=O)NCC1(c2ccccc2)CC1)C[C@H](O)C[NH3+] ZINC000420360555 389991579 /nfs/dbraw/zinc/99/15/79/389991579.db2.gz XCGYZDJLTJXQHL-CQSZACIVSA-N 2 2 291.395 0.086 20 0 CCADLP C[N@H+](CC(=O)NCC1(c2ccccc2)CC1)C[C@H](O)C[NH3+] ZINC000420360555 389991582 /nfs/dbraw/zinc/99/15/82/389991582.db2.gz XCGYZDJLTJXQHL-CQSZACIVSA-N 2 2 291.395 0.086 20 0 CCADLP Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000420362570 389992331 /nfs/dbraw/zinc/99/23/31/389992331.db2.gz ZDKXSIXTFXIRGD-UKRRQHHQSA-N 2 2 293.411 0.294 20 0 CCADLP Cc1ccccc1C[C@@H](C)NC(=O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420362570 389992334 /nfs/dbraw/zinc/99/23/34/389992334.db2.gz ZDKXSIXTFXIRGD-UKRRQHHQSA-N 2 2 293.411 0.294 20 0 CCADLP C[N@H+](CC[NH3+])CCC(=O)N1CCc2sccc2C1 ZINC000420385503 389995498 /nfs/dbraw/zinc/99/54/98/389995498.db2.gz SXGXQNXVESKGCG-UHFFFAOYSA-N 2 2 267.398 0.913 20 0 CCADLP C[N@@H+](CC[NH3+])CCC(=O)N1CCc2sccc2C1 ZINC000420385503 389995499 /nfs/dbraw/zinc/99/54/99/389995499.db2.gz SXGXQNXVESKGCG-UHFFFAOYSA-N 2 2 267.398 0.913 20 0 CCADLP CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420387096 389995693 /nfs/dbraw/zinc/99/56/93/389995693.db2.gz JLWKDEONAAJYLC-KGLIPLIRSA-N 2 2 285.432 0.929 20 0 CCADLP CC(C)C[C@@H](C)N(C)C(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420387096 389995696 /nfs/dbraw/zinc/99/56/96/389995696.db2.gz JLWKDEONAAJYLC-KGLIPLIRSA-N 2 2 285.432 0.929 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NCC[N@@H+]2CCCOCC2)no1 ZINC000438684731 390009714 /nfs/dbraw/zinc/00/97/14/390009714.db2.gz KWQVBIBXJSPTOV-UHFFFAOYSA-N 2 2 296.371 0.188 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NCC[N@H+]2CCCOCC2)no1 ZINC000438684731 390009715 /nfs/dbraw/zinc/00/97/15/390009715.db2.gz KWQVBIBXJSPTOV-UHFFFAOYSA-N 2 2 296.371 0.188 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC2CN(S(=O)(=O)CC)C2)C1 ZINC000438907862 390011945 /nfs/dbraw/zinc/01/19/45/390011945.db2.gz CDIIPCWPPHKWCK-YPMHNXCESA-N 2 2 289.445 0.198 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC2CN(S(=O)(=O)CC)C2)C1 ZINC000438907862 390011946 /nfs/dbraw/zinc/01/19/46/390011946.db2.gz CDIIPCWPPHKWCK-YPMHNXCESA-N 2 2 289.445 0.198 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C2CC2)C[C@H](C)[N@H+]1CCO ZINC000456244547 390014059 /nfs/dbraw/zinc/01/40/59/390014059.db2.gz NRZQMYILKOHVJA-GUTXKFCHSA-N 2 2 295.427 0.527 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C2CC2)C[C@H](C)[N@@H+]1CCO ZINC000456244547 390014060 /nfs/dbraw/zinc/01/40/60/390014060.db2.gz NRZQMYILKOHVJA-GUTXKFCHSA-N 2 2 295.427 0.527 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)C[C@H](C)[NH+]1CCO ZINC000456244547 390014061 /nfs/dbraw/zinc/01/40/61/390014061.db2.gz NRZQMYILKOHVJA-GUTXKFCHSA-N 2 2 295.427 0.527 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)C[C@H](C)[NH+]1CCO ZINC000456244547 390014064 /nfs/dbraw/zinc/01/40/64/390014064.db2.gz NRZQMYILKOHVJA-GUTXKFCHSA-N 2 2 295.427 0.527 20 0 CCADLP Cc1cc(C)c(CNC(=O)[C@H]2C[N@H+](C)CCO2)c[nH+]1 ZINC000456835354 390019623 /nfs/dbraw/zinc/01/96/23/390019623.db2.gz IOKZRJKKIWBGDD-CYBMUJFWSA-N 2 2 263.341 0.645 20 0 CCADLP Cc1cc(C)c(CNC(=O)[C@H]2C[N@@H+](C)CCO2)c[nH+]1 ZINC000456835354 390019625 /nfs/dbraw/zinc/01/96/25/390019625.db2.gz IOKZRJKKIWBGDD-CYBMUJFWSA-N 2 2 263.341 0.645 20 0 CCADLP CC(C)N(CC[NH+](C)C)C(=O)NCc1[nH+]ccn1C ZINC000440100592 390031666 /nfs/dbraw/zinc/03/16/66/390031666.db2.gz RVJCXGVCJGQDKR-UHFFFAOYSA-N 2 2 267.377 0.902 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C[C@H]1CCSC1 ZINC000487285682 390085451 /nfs/dbraw/zinc/08/54/51/390085451.db2.gz CBEVEIIEHYVBGL-VXGBXAGGSA-N 2 2 271.430 0.669 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C[C@H]1CCSC1 ZINC000487285682 390085452 /nfs/dbraw/zinc/08/54/52/390085452.db2.gz CBEVEIIEHYVBGL-VXGBXAGGSA-N 2 2 271.430 0.669 20 0 CCADLP Cc1nc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)nc(N(C)C)[nH+]1 ZINC000489905761 390102732 /nfs/dbraw/zinc/10/27/32/390102732.db2.gz ANPAQIXWOLMNOU-NEPJUHHUSA-N 2 2 276.388 0.919 20 0 CCADLP Cc1nc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)nc(N(C)C)[nH+]1 ZINC000489905761 390102733 /nfs/dbraw/zinc/10/27/33/390102733.db2.gz ANPAQIXWOLMNOU-NEPJUHHUSA-N 2 2 276.388 0.919 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458101590 390053036 /nfs/dbraw/zinc/05/30/36/390053036.db2.gz WBUWFVXKPZTBCU-MELADBBJSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458101590 390053037 /nfs/dbraw/zinc/05/30/37/390053037.db2.gz WBUWFVXKPZTBCU-MELADBBJSA-N 2 2 298.431 0.489 20 0 CCADLP C[N@H+](CCNC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)C1CC1 ZINC000458393041 390057133 /nfs/dbraw/zinc/05/71/33/390057133.db2.gz UBKVXLVAHUSZGG-OKILXGFUSA-N 2 2 296.415 0.243 20 0 CCADLP C[N@@H+](CCNC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)C1CC1 ZINC000458393041 390057134 /nfs/dbraw/zinc/05/71/34/390057134.db2.gz UBKVXLVAHUSZGG-OKILXGFUSA-N 2 2 296.415 0.243 20 0 CCADLP C[NH+](CCNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C1CC1 ZINC000458393041 390057135 /nfs/dbraw/zinc/05/71/35/390057135.db2.gz UBKVXLVAHUSZGG-OKILXGFUSA-N 2 2 296.415 0.243 20 0 CCADLP C[NH+](CCNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C1CC1 ZINC000458393041 390057136 /nfs/dbraw/zinc/05/71/36/390057136.db2.gz UBKVXLVAHUSZGG-OKILXGFUSA-N 2 2 296.415 0.243 20 0 CCADLP C[C@@H](c1nc(C2CC2)no1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835590 390186064 /nfs/dbraw/zinc/18/60/64/390186064.db2.gz DKBITFHBORFOTH-NSHDSACASA-N 2 2 279.388 0.845 20 0 CCADLP C[C@@H](c1nc(C2CC2)no1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835590 390186066 /nfs/dbraw/zinc/18/60/66/390186066.db2.gz DKBITFHBORFOTH-NSHDSACASA-N 2 2 279.388 0.845 20 0 CCADLP Cc1cncc(/C=C/C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000493271518 390122100 /nfs/dbraw/zinc/12/21/00/390122100.db2.gz YVPHYIMRWSCUKZ-RDFMZFSFSA-N 2 2 274.368 0.505 20 0 CCADLP Cc1cncc(/C=C/C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000493271518 390122101 /nfs/dbraw/zinc/12/21/01/390122101.db2.gz YVPHYIMRWSCUKZ-RDFMZFSFSA-N 2 2 274.368 0.505 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)NCCCN1CC[NH2+]CC1 ZINC000493309904 390123062 /nfs/dbraw/zinc/12/30/62/390123062.db2.gz ZICRIWCWEZVMQB-PLNGDYQASA-N 2 2 291.399 0.328 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000493835384 390128420 /nfs/dbraw/zinc/12/84/20/390128420.db2.gz JBMJEMCVTZZPOR-XVGAQQEPSA-N 2 2 260.341 0.594 20 0 CCADLP O=C1C[C@H]([C@@H]2CCCC[N@@H+]2CCn2cc[nH+]c2)CN1 ZINC000535026789 390136327 /nfs/dbraw/zinc/13/63/27/390136327.db2.gz AEGFJDSTXRZTDT-STQMWFEESA-N 2 2 262.357 0.874 20 0 CCADLP O=C1C[C@H]([C@@H]2CCCC[N@H+]2CCn2cc[nH+]c2)CN1 ZINC000535026789 390136329 /nfs/dbraw/zinc/13/63/29/390136329.db2.gz AEGFJDSTXRZTDT-STQMWFEESA-N 2 2 262.357 0.874 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000493993325 390139534 /nfs/dbraw/zinc/13/95/34/390139534.db2.gz TUOLNLHJASMALG-QWRGUYRKSA-N 2 2 265.361 0.037 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000644150327 390148181 /nfs/dbraw/zinc/14/81/81/390148181.db2.gz JUUGVSRLXFARAZ-RYUDHWBXSA-N 2 2 262.357 0.632 20 0 CCADLP Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000494657677 390189540 /nfs/dbraw/zinc/18/95/40/390189540.db2.gz UZJLCIKGCJIGCU-GFCCVEGCSA-N 2 2 297.424 0.454 20 0 CCADLP CC(C)[N@@H+](CC(=O)N1CC[NH+](C)CC1)CC1CC1 ZINC000536756158 390170832 /nfs/dbraw/zinc/17/08/32/390170832.db2.gz KQTQUAUKLLEORD-UHFFFAOYSA-N 2 2 253.390 0.881 20 0 CCADLP CC(C)[N@H+](CC(=O)N1CC[NH+](C)CC1)CC1CC1 ZINC000536756158 390170836 /nfs/dbraw/zinc/17/08/36/390170836.db2.gz KQTQUAUKLLEORD-UHFFFAOYSA-N 2 2 253.390 0.881 20 0 CCADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647798675 390174798 /nfs/dbraw/zinc/17/47/98/390174798.db2.gz VKSLMLJAKMCEEQ-KLHDSHLOSA-N 3 2 281.444 0.811 20 0 CCADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647798675 390174802 /nfs/dbraw/zinc/17/48/02/390174802.db2.gz VKSLMLJAKMCEEQ-KLHDSHLOSA-N 3 2 281.444 0.811 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+](C2CC2)C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000647814601 390178933 /nfs/dbraw/zinc/17/89/33/390178933.db2.gz VPQPIPSKNFFCFN-BETUJISGSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+](C2CC2)C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000647814601 390178936 /nfs/dbraw/zinc/17/89/36/390178936.db2.gz VPQPIPSKNFFCFN-BETUJISGSA-N 2 2 295.427 0.839 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)n1 ZINC000579483769 390179175 /nfs/dbraw/zinc/17/91/75/390179175.db2.gz WCAVBXTWPWENIA-UWVGGRQHSA-N 2 2 298.412 0.970 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)n1 ZINC000579483769 390179178 /nfs/dbraw/zinc/17/91/78/390179178.db2.gz WCAVBXTWPWENIA-UWVGGRQHSA-N 2 2 298.412 0.970 20 0 CCADLP CCC[N@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCS(=O)(=O)C1 ZINC000647872202 390201854 /nfs/dbraw/zinc/20/18/54/390201854.db2.gz GNRCTBJNXZVJTL-NWDGAFQWSA-N 2 2 260.403 0.495 20 0 CCADLP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCS(=O)(=O)C1 ZINC000647872202 390201857 /nfs/dbraw/zinc/20/18/57/390201857.db2.gz GNRCTBJNXZVJTL-NWDGAFQWSA-N 2 2 260.403 0.495 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2cnc3ccccc3c2)[C@H](C[NH3+])C1 ZINC000647874183 390202571 /nfs/dbraw/zinc/20/25/71/390202571.db2.gz FHAMVULDNFZSNM-OAHLLOKOSA-N 2 2 298.390 0.879 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2cnc3ccccc3c2)[C@H](C[NH3+])C1 ZINC000647874183 390202574 /nfs/dbraw/zinc/20/25/74/390202574.db2.gz FHAMVULDNFZSNM-OAHLLOKOSA-N 2 2 298.390 0.879 20 0 CCADLP NC(=O)[C@H]1c2ccccc2CC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647882717 390206406 /nfs/dbraw/zinc/20/64/06/390206406.db2.gz UZMDSDJOJJKRJC-SMDDNHRTSA-N 2 2 259.353 0.681 20 0 CCADLP NC(=O)[C@H]1c2ccccc2CC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647882717 390206410 /nfs/dbraw/zinc/20/64/10/390206410.db2.gz UZMDSDJOJJKRJC-SMDDNHRTSA-N 2 2 259.353 0.681 20 0 CCADLP CCC[N@@H+](CC(=O)NC)C[C@@H](O)C[NH+](C)C(C)C ZINC000647960289 390228441 /nfs/dbraw/zinc/22/84/41/390228441.db2.gz OXNFHTLDVJNOEK-LBPRGKRZSA-N 2 2 259.394 0.146 20 0 CCADLP CCC[N@H+](CC(=O)NC)C[C@@H](O)C[NH+](C)C(C)C ZINC000647960289 390228443 /nfs/dbraw/zinc/22/84/43/390228443.db2.gz OXNFHTLDVJNOEK-LBPRGKRZSA-N 2 2 259.394 0.146 20 0 CCADLP CCC[NH+](CC(=O)NC)C[C@@H](O)C[N@H+](C)C(C)C ZINC000647960289 390228445 /nfs/dbraw/zinc/22/84/45/390228445.db2.gz OXNFHTLDVJNOEK-LBPRGKRZSA-N 2 2 259.394 0.146 20 0 CCADLP CCC[NH+](CC(=O)NC)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000647960289 390228447 /nfs/dbraw/zinc/22/84/47/390228447.db2.gz OXNFHTLDVJNOEK-LBPRGKRZSA-N 2 2 259.394 0.146 20 0 CCADLP CCC[N@@H+](CC(=O)N(C)C)C[C@@H](O)C[NH+](C)C(C)C ZINC000647960176 390228661 /nfs/dbraw/zinc/22/86/61/390228661.db2.gz JWAHTWCKNBTDHC-ZDUSSCGKSA-N 2 2 273.421 0.488 20 0 CCADLP CCC[N@H+](CC(=O)N(C)C)C[C@@H](O)C[NH+](C)C(C)C ZINC000647960176 390228663 /nfs/dbraw/zinc/22/86/63/390228663.db2.gz JWAHTWCKNBTDHC-ZDUSSCGKSA-N 2 2 273.421 0.488 20 0 CCADLP CCC[NH+](CC(=O)N(C)C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000647960176 390228666 /nfs/dbraw/zinc/22/86/66/390228666.db2.gz JWAHTWCKNBTDHC-ZDUSSCGKSA-N 2 2 273.421 0.488 20 0 CCADLP CCC[NH+](CC(=O)N(C)C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000647960176 390228668 /nfs/dbraw/zinc/22/86/68/390228668.db2.gz JWAHTWCKNBTDHC-ZDUSSCGKSA-N 2 2 273.421 0.488 20 0 CCADLP C[C@@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000647905598 390212670 /nfs/dbraw/zinc/21/26/70/390212670.db2.gz ZYVIIWKFADOTTJ-UTLUCORTSA-N 2 2 279.392 0.080 20 0 CCADLP C[C@@H](c1nc(N)nc(N(C)C)n1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000647905598 390212674 /nfs/dbraw/zinc/21/26/74/390212674.db2.gz ZYVIIWKFADOTTJ-UTLUCORTSA-N 2 2 279.392 0.080 20 0 CCADLP Cc1[nH+]cc(CNC[C@H]2CCC[N@@H+]2CCCO)n1C ZINC000580097225 390221684 /nfs/dbraw/zinc/22/16/84/390221684.db2.gz FGFJATKGSPXTNT-CYBMUJFWSA-N 2 2 266.389 0.665 20 0 CCADLP Cc1[nH+]cc(CNC[C@H]2CCC[N@H+]2CCCO)n1C ZINC000580097225 390221687 /nfs/dbraw/zinc/22/16/87/390221687.db2.gz FGFJATKGSPXTNT-CYBMUJFWSA-N 2 2 266.389 0.665 20 0 CCADLP CN1CCC[C@H]([N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000540908026 390227753 /nfs/dbraw/zinc/22/77/53/390227753.db2.gz ANIFUUDECSGLQZ-KBPBESRZSA-N 2 2 281.400 0.261 20 0 CCADLP CN1CCC[C@H]([N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000540908026 390227754 /nfs/dbraw/zinc/22/77/54/390227754.db2.gz ANIFUUDECSGLQZ-KBPBESRZSA-N 2 2 281.400 0.261 20 0 CCADLP C[N@H+](CCC[NH3+])CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000647850140 390192972 /nfs/dbraw/zinc/19/29/72/390192972.db2.gz MNHIWLXVUYCLMK-UHFFFAOYSA-N 2 2 279.340 0.677 20 0 CCADLP C[N@@H+](CCC[NH3+])CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000647850140 390192974 /nfs/dbraw/zinc/19/29/74/390192974.db2.gz MNHIWLXVUYCLMK-UHFFFAOYSA-N 2 2 279.340 0.677 20 0 CCADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCCN(C)C2=O)C1 ZINC000538708941 390196344 /nfs/dbraw/zinc/19/63/44/390196344.db2.gz FZQLHQFETSFJLR-OLZOCXBDSA-N 2 2 253.390 0.881 20 0 CCADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCCN(C)C2=O)C1 ZINC000538708941 390196346 /nfs/dbraw/zinc/19/63/46/390196346.db2.gz FZQLHQFETSFJLR-OLZOCXBDSA-N 2 2 253.390 0.881 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCCN(C)C2=O)C1 ZINC000538708941 390196348 /nfs/dbraw/zinc/19/63/48/390196348.db2.gz FZQLHQFETSFJLR-OLZOCXBDSA-N 2 2 253.390 0.881 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCCN(C)C2=O)C1 ZINC000538708941 390196351 /nfs/dbraw/zinc/19/63/51/390196351.db2.gz FZQLHQFETSFJLR-OLZOCXBDSA-N 2 2 253.390 0.881 20 0 CCADLP Cn1cc(-c2cc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)on2)cn1 ZINC000580312243 390236437 /nfs/dbraw/zinc/23/64/37/390236437.db2.gz ATVGNLXJQFGKMN-PHIMTYICSA-N 2 2 273.340 0.726 20 0 CCADLP Cn1cc(-c2cc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)on2)cn1 ZINC000580312243 390236440 /nfs/dbraw/zinc/23/64/40/390236440.db2.gz ATVGNLXJQFGKMN-PHIMTYICSA-N 2 2 273.340 0.726 20 0 CCADLP Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1CCOCC[NH3+] ZINC000647990877 390240845 /nfs/dbraw/zinc/24/08/45/390240845.db2.gz RFVBHJGAQLVIDW-LBPRGKRZSA-N 2 2 268.361 0.375 20 0 CCADLP Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1CCOCC[NH3+] ZINC000647990877 390240847 /nfs/dbraw/zinc/24/08/47/390240847.db2.gz RFVBHJGAQLVIDW-LBPRGKRZSA-N 2 2 268.361 0.375 20 0 CCADLP O[C@@H](C[NH2+]Cc1cccc2[nH+]ccn21)[C@H]1CCCO1 ZINC000527759286 285366135 /nfs/dbraw/zinc/36/61/35/285366135.db2.gz SFBMCTDSYAVZIQ-QWHCGFSZSA-N 2 2 261.325 0.964 20 0 CCADLP COCc1cnc(CN2CC[N@H+](C)C[C@H]2C[NH3+])s1 ZINC000583565284 390293433 /nfs/dbraw/zinc/29/34/33/390293433.db2.gz YIXHLFJTKZYZGL-SNVBAGLBSA-N 2 2 270.402 0.364 20 0 CCADLP COCc1cnc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])s1 ZINC000583565284 390293435 /nfs/dbraw/zinc/29/34/35/390293435.db2.gz YIXHLFJTKZYZGL-SNVBAGLBSA-N 2 2 270.402 0.364 20 0 CCADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000648039254 390259526 /nfs/dbraw/zinc/25/95/26/390259526.db2.gz AUKOSTODXXVHIM-ZIAGYGMSSA-N 2 2 293.415 0.361 20 0 CCADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000648039254 390259528 /nfs/dbraw/zinc/25/95/28/390259528.db2.gz AUKOSTODXXVHIM-ZIAGYGMSSA-N 2 2 293.415 0.361 20 0 CCADLP CCN(CCOC)c1cccc(Cn2nnnc2C[NH3+])[nH+]1 ZINC000582178946 390266392 /nfs/dbraw/zinc/26/63/92/390266392.db2.gz BLWQVARTVRMENL-UHFFFAOYSA-N 2 2 291.359 0.048 20 0 CCADLP CCn1cc(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cn1 ZINC000644645973 390275605 /nfs/dbraw/zinc/27/56/05/390275605.db2.gz SNVASOYZRMTOIB-CYBMUJFWSA-N 2 2 252.362 0.448 20 0 CCADLP CCn1cc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cn1 ZINC000644645973 390275607 /nfs/dbraw/zinc/27/56/07/390275607.db2.gz SNVASOYZRMTOIB-CYBMUJFWSA-N 2 2 252.362 0.448 20 0 CCADLP CC[C@@H]1CN(CC[NH2+]Cc2c[nH+]c(C)n2C)CCO1 ZINC000583273842 390280536 /nfs/dbraw/zinc/28/05/36/390280536.db2.gz CVHKKDFFRJWBKJ-CQSZACIVSA-N 2 2 266.389 0.929 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCC2)[C@H](C)C1 ZINC000429805276 285369658 /nfs/dbraw/zinc/36/96/58/285369658.db2.gz HYJQICKRKUPWCW-CHWSQXEVSA-N 2 2 253.390 0.881 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCC2)[C@H](C)C1 ZINC000429805276 285369659 /nfs/dbraw/zinc/36/96/59/285369659.db2.gz HYJQICKRKUPWCW-CHWSQXEVSA-N 2 2 253.390 0.881 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCC2)[C@H](C)C1 ZINC000429805276 285369660 /nfs/dbraw/zinc/36/96/60/285369660.db2.gz HYJQICKRKUPWCW-CHWSQXEVSA-N 2 2 253.390 0.881 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCC2)[C@H](C)C1 ZINC000429805276 285369661 /nfs/dbraw/zinc/36/96/61/285369661.db2.gz HYJQICKRKUPWCW-CHWSQXEVSA-N 2 2 253.390 0.881 20 0 CCADLP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000648166944 390322572 /nfs/dbraw/zinc/32/25/72/390322572.db2.gz GYJSWMAELFUSSF-ZIAGYGMSSA-N 2 2 281.400 0.308 20 0 CCADLP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000648166944 390322576 /nfs/dbraw/zinc/32/25/76/390322576.db2.gz GYJSWMAELFUSSF-ZIAGYGMSSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@H](CCCC[NH3+])NC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000583935316 390325305 /nfs/dbraw/zinc/32/53/05/390325305.db2.gz GMSQJRGAIAJPQJ-OLZOCXBDSA-N 2 2 270.421 0.256 20 0 CCADLP Cc1cccc2[nH+]c(CCNC(=O)[C@@H]3CSC[NH2+]3)cn21 ZINC000648210831 390342998 /nfs/dbraw/zinc/34/29/98/390342998.db2.gz BZMTUVPTWWJBDW-LBPRGKRZSA-N 2 2 290.392 0.964 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC2(COC(=O)N2)CC1)C1CC1 ZINC000496685620 390357491 /nfs/dbraw/zinc/35/74/91/390357491.db2.gz WRYIGWDTMMNLNW-GFCCVEGCSA-N 2 2 283.372 0.016 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC2(COC(=O)N2)CC1)C1CC1 ZINC000496685620 390357492 /nfs/dbraw/zinc/35/74/92/390357492.db2.gz WRYIGWDTMMNLNW-GFCCVEGCSA-N 2 2 283.372 0.016 20 0 CCADLP [NH3+]CCOCC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000645301538 390405772 /nfs/dbraw/zinc/40/57/72/390405772.db2.gz OSGBOGQTAXUXFF-UHFFFAOYSA-N 2 2 278.356 0.273 20 0 CCADLP C[C@@H]1C[N@@H+](CCCNC(=O)Cc2c[nH+]cn2C)C[C@H](C)O1 ZINC000547864080 390406055 /nfs/dbraw/zinc/40/60/55/390406055.db2.gz PPWWSGQYCNLASX-BETUJISGSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@@H]1C[N@H+](CCCNC(=O)Cc2c[nH+]cn2C)C[C@H](C)O1 ZINC000547864080 390406058 /nfs/dbraw/zinc/40/60/58/390406058.db2.gz PPWWSGQYCNLASX-BETUJISGSA-N 2 2 294.399 0.578 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000547868053 390406814 /nfs/dbraw/zinc/40/68/14/390406814.db2.gz VFUABSQOEGQXAI-NSHDSACASA-N 2 2 250.346 0.421 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000547868053 390406818 /nfs/dbraw/zinc/40/68/18/390406818.db2.gz VFUABSQOEGQXAI-NSHDSACASA-N 2 2 250.346 0.421 20 0 CCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC[N@@H+]1C ZINC000648835424 390419060 /nfs/dbraw/zinc/41/90/60/390419060.db2.gz REUWWNTZQUPQFG-GMTAPVOTSA-N 2 2 262.357 0.723 20 0 CCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC[N@H+]1C ZINC000648835424 390419062 /nfs/dbraw/zinc/41/90/62/390419062.db2.gz REUWWNTZQUPQFG-GMTAPVOTSA-N 2 2 262.357 0.723 20 0 CCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC[N@@H+]1C ZINC000648835424 390419064 /nfs/dbraw/zinc/41/90/64/390419064.db2.gz REUWWNTZQUPQFG-GMTAPVOTSA-N 2 2 262.357 0.723 20 0 CCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC[N@H+]1C ZINC000648835424 390419065 /nfs/dbraw/zinc/41/90/65/390419065.db2.gz REUWWNTZQUPQFG-GMTAPVOTSA-N 2 2 262.357 0.723 20 0 CCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@]1(C)CCCO1 ZINC000645398984 390419889 /nfs/dbraw/zinc/41/98/89/390419889.db2.gz VDHDIAZHGKKPCC-JSGCOSHPSA-N 2 2 269.389 0.308 20 0 CCADLP CCOC(=O)N1CC[C@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000496948778 390391273 /nfs/dbraw/zinc/39/12/73/390391273.db2.gz XHFCTVLOWPTRAF-MELADBBJSA-N 2 2 297.399 0.574 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC000547728290 390394534 /nfs/dbraw/zinc/39/45/34/390394534.db2.gz HJBRZXMGFLKDBJ-CQSZACIVSA-N 2 2 294.399 0.436 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC000547728290 390394537 /nfs/dbraw/zinc/39/45/37/390394537.db2.gz HJBRZXMGFLKDBJ-CQSZACIVSA-N 2 2 294.399 0.436 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C[C@H]1CN(C)C(=O)O1 ZINC000496974523 390395015 /nfs/dbraw/zinc/39/50/15/390395015.db2.gz NLSHRYNYBZAZMY-AWEZNQCLSA-N 2 2 298.431 0.395 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C[C@H]1CN(C)C(=O)O1 ZINC000496974523 390395018 /nfs/dbraw/zinc/39/50/18/390395018.db2.gz NLSHRYNYBZAZMY-AWEZNQCLSA-N 2 2 298.431 0.395 20 0 CCADLP C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000517934041 390491768 /nfs/dbraw/zinc/49/17/68/390491768.db2.gz PNHSFFWEVHXZNF-WDEREUQCSA-N 2 2 286.339 0.390 20 0 CCADLP COC(=O)[C@](C)(O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000519543160 390506716 /nfs/dbraw/zinc/50/67/16/390506716.db2.gz GDEPWZUFGSYSMY-ZWNOBZJWSA-N 2 2 267.329 0.133 20 0 CCADLP COC(=O)[C@](C)(O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000519543160 390506722 /nfs/dbraw/zinc/50/67/22/390506722.db2.gz GDEPWZUFGSYSMY-ZWNOBZJWSA-N 2 2 267.329 0.133 20 0 CCADLP CCC1(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000519592611 390513349 /nfs/dbraw/zinc/51/33/49/390513349.db2.gz NLTCDFVIIKIIEK-NSHDSACASA-N 2 2 254.378 0.461 20 0 CCADLP CCC1(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000519592611 390513353 /nfs/dbraw/zinc/51/33/53/390513353.db2.gz NLTCDFVIIKIIEK-NSHDSACASA-N 2 2 254.378 0.461 20 0 CCADLP COc1ccccc1N1CC[C@H]([NH2+][C@H](C)C2C[NH2+]C2)C1=O ZINC000643466625 390450072 /nfs/dbraw/zinc/45/00/72/390450072.db2.gz JBISMUDZFDROFT-YPMHNXCESA-N 2 2 289.379 0.998 20 0 CCADLP CCn1cc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cn1 ZINC000643464816 390450290 /nfs/dbraw/zinc/45/02/90/390450290.db2.gz XNDYHXDRDYLGJG-KGLIPLIRSA-N 2 2 264.373 0.760 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cnccn3)C2)CC1 ZINC000555473632 390455967 /nfs/dbraw/zinc/45/59/67/390455967.db2.gz ZARSNVPVCCJBCT-OAHLLOKOSA-N 2 2 275.400 0.688 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnccn3)C2)CC1 ZINC000555473632 390455970 /nfs/dbraw/zinc/45/59/70/390455970.db2.gz ZARSNVPVCCJBCT-OAHLLOKOSA-N 2 2 275.400 0.688 20 0 CCADLP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)CO2 ZINC000515346519 390474706 /nfs/dbraw/zinc/47/47/06/390474706.db2.gz HPQWSCRQKPJHII-TZMCWYRMSA-N 2 2 278.352 0.577 20 0 CCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC000516770812 390485379 /nfs/dbraw/zinc/48/53/79/390485379.db2.gz NZWQQXGOXHSDDG-WCQYABFASA-N 2 2 257.378 0.245 20 0 CCADLP CN(C)c1ncccc1C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000566106673 390579277 /nfs/dbraw/zinc/57/92/77/390579277.db2.gz WTZDMGRNSFVAEW-CQSZACIVSA-N 2 2 278.400 0.692 20 0 CCADLP CN(C)c1ncccc1C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000566106673 390579280 /nfs/dbraw/zinc/57/92/80/390579280.db2.gz WTZDMGRNSFVAEW-CQSZACIVSA-N 2 2 278.400 0.692 20 0 CCADLP COc1cc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])cc(OC)c1O ZINC000519659079 390526868 /nfs/dbraw/zinc/52/68/68/390526868.db2.gz WBBZIJSVRGSYMN-LBPRGKRZSA-N 2 2 295.383 0.484 20 0 CCADLP COc1cc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cc(OC)c1O ZINC000519659079 390526871 /nfs/dbraw/zinc/52/68/71/390526871.db2.gz WBBZIJSVRGSYMN-LBPRGKRZSA-N 2 2 295.383 0.484 20 0 CCADLP CC(C)(C(=O)N[C@@H](CO)C[NH+]1CCCCC1)c1c[nH]c[nH+]1 ZINC000565703680 390536195 /nfs/dbraw/zinc/53/61/95/390536195.db2.gz SHRMLXOKSWTUFU-GFCCVEGCSA-N 2 2 294.399 0.650 20 0 CCADLP CC(C)(C(=O)N[C@@H](CO)C[NH+]1CCCCC1)c1c[nH+]c[nH]1 ZINC000565703680 390536199 /nfs/dbraw/zinc/53/61/99/390536199.db2.gz SHRMLXOKSWTUFU-GFCCVEGCSA-N 2 2 294.399 0.650 20 0 CCADLP CC1(C)C[NH2+][C@H]1C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000649278860 390544903 /nfs/dbraw/zinc/54/49/03/390544903.db2.gz IBCQSBDOSVHKBS-OLZOCXBDSA-N 2 2 281.400 0.308 20 0 CCADLP CC1(C)C[NH2+][C@H]1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000649278862 390546492 /nfs/dbraw/zinc/54/64/92/390546492.db2.gz IBCQSBDOSVHKBS-STQMWFEESA-N 2 2 281.400 0.308 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649292975 390553393 /nfs/dbraw/zinc/55/33/93/390553393.db2.gz RIKBOILPURTFRU-GDNZZTSVSA-N 2 2 260.341 0.229 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(C)(C)C[NH3+])C2)CC1 ZINC000645977502 390555393 /nfs/dbraw/zinc/55/53/93/390555393.db2.gz DDAXEFWXXKSUFV-GFCCVEGCSA-N 3 2 282.432 0.256 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(C)(C)C[NH3+])C2)CC1 ZINC000645977502 390555396 /nfs/dbraw/zinc/55/53/96/390555396.db2.gz DDAXEFWXXKSUFV-GFCCVEGCSA-N 3 2 282.432 0.256 20 0 CCADLP CN1C(=O)CC[C@H]([NH2+]Cc2cccc3[nH+]ccn32)C1=O ZINC000643802188 390558841 /nfs/dbraw/zinc/55/88/41/390558841.db2.gz ZAZSYYSUKYKXHP-NSHDSACASA-N 2 2 272.308 0.571 20 0 CCADLP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000649302449 390561673 /nfs/dbraw/zinc/56/16/73/390561673.db2.gz QMISFPBKOUNIQC-KKOKHZNYSA-N 2 2 260.341 0.866 20 0 CCADLP O=C(NCC[NH+]1Cc2ccccc2C1)[C@H]1CCC[NH2+]1 ZINC000649306284 390567237 /nfs/dbraw/zinc/56/72/37/390567237.db2.gz KEGIZRZPZMEWQO-CQSZACIVSA-N 2 2 259.353 0.870 20 0 CCADLP COc1cc[nH+]cc1NC(=O)COC1(C)C[NH2+]C1 ZINC000649312027 390570683 /nfs/dbraw/zinc/57/06/83/390570683.db2.gz FSUYGMIWZKXMIE-UHFFFAOYSA-N 2 2 251.286 0.407 20 0 CCADLP CCC[C@]1(CO)CC[N@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000520425108 390575064 /nfs/dbraw/zinc/57/50/64/390575064.db2.gz KWISZSJJBRNOKX-CABCVRRESA-N 2 2 288.432 0.410 20 0 CCADLP CCC[C@]1(CO)CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000520425108 390575066 /nfs/dbraw/zinc/57/50/66/390575066.db2.gz KWISZSJJBRNOKX-CABCVRRESA-N 2 2 288.432 0.410 20 0 CCADLP CCC[C@]1(CO)CC[NH+](C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000520425108 390575067 /nfs/dbraw/zinc/57/50/67/390575067.db2.gz KWISZSJJBRNOKX-CABCVRRESA-N 2 2 288.432 0.410 20 0 CCADLP CCC[C@]1(CO)CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000520425108 390575069 /nfs/dbraw/zinc/57/50/69/390575069.db2.gz KWISZSJJBRNOKX-CABCVRRESA-N 2 2 288.432 0.410 20 0 CCADLP Cc1ccc(CCNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000521006105 390591844 /nfs/dbraw/zinc/59/18/44/390591844.db2.gz OUOSIJWGZMGFLC-HNNXBMFYSA-N 2 2 290.411 0.822 20 0 CCADLP Cc1ccc(CCNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000521006105 390591847 /nfs/dbraw/zinc/59/18/47/390591847.db2.gz OUOSIJWGZMGFLC-HNNXBMFYSA-N 2 2 290.411 0.822 20 0 CCADLP Cc1ncncc1[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000566476447 390619467 /nfs/dbraw/zinc/61/94/67/390619467.db2.gz ZJHXJXPVHYTGND-YPMHNXCESA-N 2 2 264.373 0.892 20 0 CCADLP C[C@H](O)[C@@H]1CCN(c2cc(N[C@H]3CC[NH2+]C3)nc[nH+]2)C1 ZINC000566491445 390622920 /nfs/dbraw/zinc/62/29/20/390622920.db2.gz VVDMVVYRRJSRRX-TUAOUCFPSA-N 2 2 277.372 0.458 20 0 CCADLP COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000566497429 390623601 /nfs/dbraw/zinc/62/36/01/390623601.db2.gz WXPRLEOCSWBHJD-UONOGXRCSA-N 2 2 283.372 0.639 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000522228177 390629881 /nfs/dbraw/zinc/62/98/81/390629881.db2.gz CQMFHCBACOBDRV-VXGBXAGGSA-N 2 2 277.372 0.808 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000522228177 390629884 /nfs/dbraw/zinc/62/98/84/390629884.db2.gz CQMFHCBACOBDRV-VXGBXAGGSA-N 2 2 277.372 0.808 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCCc2cccs2)[C@@H](C[NH3+])C1 ZINC000566963693 390662083 /nfs/dbraw/zinc/66/20/83/390662083.db2.gz OEBMTEFDCHIUFR-LBPRGKRZSA-N 2 2 296.440 0.965 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCCc2cccs2)[C@@H](C[NH3+])C1 ZINC000566963693 390662086 /nfs/dbraw/zinc/66/20/86/390662086.db2.gz OEBMTEFDCHIUFR-LBPRGKRZSA-N 2 2 296.440 0.965 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC2 ZINC000646214424 390637665 /nfs/dbraw/zinc/63/76/65/390637665.db2.gz CDCMPXVIUJHTKE-UWVGGRQHSA-N 2 2 265.361 0.843 20 0 CCADLP CC[C@H](O)CCC[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000566678356 390638432 /nfs/dbraw/zinc/63/84/32/390638432.db2.gz COXFTVXLYDWCEA-XGUBFFRZSA-N 2 2 288.432 0.597 20 0 CCADLP CC[C@H](O)CCC[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000566678356 390638434 /nfs/dbraw/zinc/63/84/34/390638434.db2.gz COXFTVXLYDWCEA-XGUBFFRZSA-N 2 2 288.432 0.597 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NCCCCn1cc[nH+]c1 ZINC000524367666 390645087 /nfs/dbraw/zinc/64/50/87/390645087.db2.gz HMYBSXXMHNDQPD-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NCCCCn1cc[nH+]c1 ZINC000524367666 390645090 /nfs/dbraw/zinc/64/50/90/390645090.db2.gz HMYBSXXMHNDQPD-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP COc1cccc(C[C@H](C)[NH2+]C[C@@H]2C[NH2+]CCO2)n1 ZINC000566785599 390646378 /nfs/dbraw/zinc/64/63/78/390646378.db2.gz ZDLZCRKXXXFEHQ-AAEUAGOBSA-N 2 2 265.357 0.599 20 0 CCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000646264919 390653524 /nfs/dbraw/zinc/65/35/24/390653524.db2.gz DDGWOTVEDCEEGS-IOASZLSFSA-N 2 2 286.379 0.776 20 0 CCADLP O=C(C[C@H]1C[NH2+]CCO1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000646265399 390653898 /nfs/dbraw/zinc/65/38/98/390653898.db2.gz VVZHIXNXZFQABL-OLZOCXBDSA-N 2 2 290.367 0.155 20 0 CCADLP CN(C(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1)C1CC1 ZINC000646103869 390597867 /nfs/dbraw/zinc/59/78/67/390597867.db2.gz RLHIUNDIVOYABF-UHFFFAOYSA-N 2 2 281.400 0.404 20 0 CCADLP CN(C(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1)C1CC1 ZINC000646103869 390597871 /nfs/dbraw/zinc/59/78/71/390597871.db2.gz RLHIUNDIVOYABF-UHFFFAOYSA-N 2 2 281.400 0.404 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCC(C)(C)[NH3+])CC1 ZINC000649343775 390598099 /nfs/dbraw/zinc/59/80/99/390598099.db2.gz WMFZWQNTMIWSED-UHFFFAOYSA-N 3 2 284.448 0.646 20 0 CCADLP Cn1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)n1 ZINC000646105762 390598970 /nfs/dbraw/zinc/59/89/70/390598970.db2.gz GXJZFGQPVXCRIN-UHFFFAOYSA-N 2 2 264.373 0.717 20 0 CCADLP Cn1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)n1 ZINC000646105762 390598973 /nfs/dbraw/zinc/59/89/73/390598973.db2.gz GXJZFGQPVXCRIN-UHFFFAOYSA-N 2 2 264.373 0.717 20 0 CCADLP FC(F)Cn1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000646105023 390599325 /nfs/dbraw/zinc/59/93/25/390599325.db2.gz FOJOAHJPGZUCKT-GHMZBOCLSA-N 2 2 256.300 0.799 20 0 CCADLP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000649349394 390601357 /nfs/dbraw/zinc/60/13/57/390601357.db2.gz FFTTVTYVSNWVNC-YUELXQCFSA-N 2 2 286.379 0.476 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CC2(F)CC2)C1 ZINC000567501808 390702293 /nfs/dbraw/zinc/70/22/93/390702293.db2.gz JCDYUKXBMPOGSQ-NSHDSACASA-N 2 2 255.337 0.385 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CC2(F)CC2)C1 ZINC000567501808 390702294 /nfs/dbraw/zinc/70/22/94/390702294.db2.gz JCDYUKXBMPOGSQ-NSHDSACASA-N 2 2 255.337 0.385 20 0 CCADLP C[C@@]1(F)C[NH2+]CCN(C(=O)c2csc(C[NH3+])n2)C1 ZINC000567587439 390705044 /nfs/dbraw/zinc/70/50/44/390705044.db2.gz JLWUAMNJULCXGB-LLVKDONJSA-N 2 2 272.349 0.375 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C1CCCC1 ZINC000646831924 390725331 /nfs/dbraw/zinc/72/53/31/390725331.db2.gz JSONZTLZWUDZNZ-AAEUAGOBSA-N 2 2 253.390 0.914 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C1CCCC1 ZINC000646831924 390725334 /nfs/dbraw/zinc/72/53/34/390725334.db2.gz JSONZTLZWUDZNZ-AAEUAGOBSA-N 2 2 253.390 0.914 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)CCO1 ZINC000646851188 390730013 /nfs/dbraw/zinc/73/00/13/390730013.db2.gz PZDNXSIRIJCOOY-ZYHUDNBSSA-N 2 2 274.324 0.523 20 0 CCADLP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000566983980 390664351 /nfs/dbraw/zinc/66/43/51/390664351.db2.gz BBTFMYNBUCYDDF-GXSJLCMTSA-N 2 2 251.334 0.549 20 0 CCADLP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000566983980 390664355 /nfs/dbraw/zinc/66/43/55/390664355.db2.gz BBTFMYNBUCYDDF-GXSJLCMTSA-N 2 2 251.334 0.549 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000567047555 390667674 /nfs/dbraw/zinc/66/76/74/390667674.db2.gz JLLFAVDOPJGWCQ-QWHCGFSZSA-N 2 2 298.431 0.077 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000567047555 390667678 /nfs/dbraw/zinc/66/76/78/390667678.db2.gz JLLFAVDOPJGWCQ-QWHCGFSZSA-N 2 2 298.431 0.077 20 0 CCADLP Cc1nc(N2CCN(C(=O)C[C@@H](C)[NH3+])CC2)cc[nH+]1 ZINC000646481174 390687878 /nfs/dbraw/zinc/68/78/78/390687878.db2.gz AWUZNQITFHYUBT-SNVBAGLBSA-N 2 2 263.345 0.171 20 0 CCADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@@H](O)COCc1cccs1 ZINC000567353048 390694067 /nfs/dbraw/zinc/69/40/67/390694067.db2.gz YGUXQKMOFBFQDF-NWDGAFQWSA-N 2 2 288.413 0.138 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[N@H+]1CC=CCC1 ZINC000527216346 390696632 /nfs/dbraw/zinc/69/66/32/390696632.db2.gz BLEKZDBLAHFKEY-AWEZNQCLSA-N 2 2 296.415 0.268 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[N@@H+]1CC=CCC1 ZINC000527216346 390696635 /nfs/dbraw/zinc/69/66/35/390696635.db2.gz BLEKZDBLAHFKEY-AWEZNQCLSA-N 2 2 296.415 0.268 20 0 CCADLP CCC[N@H+](CC)CCNC(=O)N1CC[NH+](C)C[C@H]1C[NH3+] ZINC000571984121 390762001 /nfs/dbraw/zinc/76/20/01/390762001.db2.gz BTMQWGOTDOKGIV-CYBMUJFWSA-N 3 2 285.436 0.003 20 0 CCADLP CCC[N@@H+](CC)CCNC(=O)N1CC[NH+](C)C[C@H]1C[NH3+] ZINC000571984121 390762004 /nfs/dbraw/zinc/76/20/04/390762004.db2.gz BTMQWGOTDOKGIV-CYBMUJFWSA-N 3 2 285.436 0.003 20 0 CCADLP Cc1ccc(Cn2cnc3c(c2=O)CC[NH2+]CC3)c(C)[nH+]1 ZINC000571997511 390762302 /nfs/dbraw/zinc/76/23/02/390762302.db2.gz BUDXIIXCHOGHIN-UHFFFAOYSA-N 2 2 284.363 0.992 20 0 CCADLP Cc1cc(NC(=O)NC[C@@H]2COCC[NH2+]2)c(C)c[nH+]1 ZINC000528684220 390768488 /nfs/dbraw/zinc/76/84/88/390768488.db2.gz CWEXXKOJYKPENU-LLVKDONJSA-N 2 2 264.329 0.230 20 0 CCADLP CON(C)C(=O)CC[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528726218 390771836 /nfs/dbraw/zinc/77/18/36/390771836.db2.gz BFJUFKMOAQNQFG-UHFFFAOYSA-N 2 2 299.415 0.583 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC000528862673 390781786 /nfs/dbraw/zinc/78/17/86/390781786.db2.gz AYGJQDGHWYWMBL-ZDUSSCGKSA-N 2 2 280.372 0.107 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000528910345 390783471 /nfs/dbraw/zinc/78/34/71/390783471.db2.gz WZNDNAXBCPHVNF-GFCCVEGCSA-N 2 2 273.340 0.941 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000528945654 390784623 /nfs/dbraw/zinc/78/46/23/390784623.db2.gz FXDQKHOMJQDBQA-NWDGAFQWSA-N 2 2 250.346 0.743 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CO1 ZINC000647210547 390789698 /nfs/dbraw/zinc/78/96/98/390789698.db2.gz MSIVTBPGFOSQHC-AGIDCKOXSA-N 2 2 295.427 0.837 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CO1 ZINC000647210547 390789701 /nfs/dbraw/zinc/78/97/01/390789701.db2.gz MSIVTBPGFOSQHC-AGIDCKOXSA-N 2 2 295.427 0.837 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](OCCOC)C1 ZINC000572614148 390792575 /nfs/dbraw/zinc/79/25/75/390792575.db2.gz YDVMCQJQZKHBON-UONOGXRCSA-N 2 2 274.405 0.426 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](OCCOC)C1 ZINC000572614148 390792577 /nfs/dbraw/zinc/79/25/77/390792577.db2.gz YDVMCQJQZKHBON-UONOGXRCSA-N 2 2 274.405 0.426 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](OCCOC)C1 ZINC000572614148 390792580 /nfs/dbraw/zinc/79/25/80/390792580.db2.gz YDVMCQJQZKHBON-UONOGXRCSA-N 2 2 274.405 0.426 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](OCCOC)C1 ZINC000572614148 390792581 /nfs/dbraw/zinc/79/25/81/390792581.db2.gz YDVMCQJQZKHBON-UONOGXRCSA-N 2 2 274.405 0.426 20 0 CCADLP [NH3+][C@H](C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1cscn1 ZINC000572635728 390794172 /nfs/dbraw/zinc/79/41/72/390794172.db2.gz DWSBQGYDZFQEPQ-JQWIXIFHSA-N 2 2 280.397 0.840 20 0 CCADLP [NH3+][C@H](C(=O)N1CC[N@H+]2CCCC[C@H]2C1)c1cscn1 ZINC000572635728 390794175 /nfs/dbraw/zinc/79/41/75/390794175.db2.gz DWSBQGYDZFQEPQ-JQWIXIFHSA-N 2 2 280.397 0.840 20 0 CCADLP CC[NH+]1C[C@@H](C)N(C(=O)[C@@H]2C[N@H+](CC)CCO2)[C@@H](C)C1 ZINC000571416548 390735090 /nfs/dbraw/zinc/73/50/90/390735090.db2.gz LJWJAFKBAKKOCO-MJBXVCDLSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1C[C@@H](C)N(C(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@@H](C)C1 ZINC000571416548 390735092 /nfs/dbraw/zinc/73/50/92/390735092.db2.gz LJWJAFKBAKKOCO-MJBXVCDLSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2[C@H](C)C[N@@H+](CC)C[C@@H]2C)C1 ZINC000571416548 390735093 /nfs/dbraw/zinc/73/50/93/390735093.db2.gz LJWJAFKBAKKOCO-MJBXVCDLSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2[C@H](C)C[N@H+](CC)C[C@@H]2C)C1 ZINC000571416548 390735095 /nfs/dbraw/zinc/73/50/95/390735095.db2.gz LJWJAFKBAKKOCO-MJBXVCDLSA-N 2 2 283.416 0.648 20 0 CCADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)NCC1C[NH2+]C1 ZINC000646902662 390736469 /nfs/dbraw/zinc/73/64/69/390736469.db2.gz PTPMLNVPXWGVMJ-UHFFFAOYSA-N 2 2 284.363 0.810 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]([NH+](C)C)CC1 ZINC000578079807 390863499 /nfs/dbraw/zinc/86/34/99/390863499.db2.gz DAINNEHZGLUBSP-UONOGXRCSA-N 3 2 257.422 0.715 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]([NH+](C)C)CC1 ZINC000578079807 390863501 /nfs/dbraw/zinc/86/35/01/390863501.db2.gz DAINNEHZGLUBSP-UONOGXRCSA-N 3 2 257.422 0.715 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000578079807 390863503 /nfs/dbraw/zinc/86/35/03/390863503.db2.gz DAINNEHZGLUBSP-UONOGXRCSA-N 3 2 257.422 0.715 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000578079807 390863504 /nfs/dbraw/zinc/86/35/04/390863504.db2.gz DAINNEHZGLUBSP-UONOGXRCSA-N 3 2 257.422 0.715 20 0 CCADLP C[C@H](C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1)S(C)(=O)=O ZINC000578079692 390863809 /nfs/dbraw/zinc/86/38/09/390863809.db2.gz AFBZIWFRCYWACK-GHMZBOCLSA-N 2 2 271.386 0.643 20 0 CCADLP C[C@H](C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1)S(C)(=O)=O ZINC000578079692 390863812 /nfs/dbraw/zinc/86/38/12/390863812.db2.gz AFBZIWFRCYWACK-GHMZBOCLSA-N 2 2 271.386 0.643 20 0 CCADLP CC1(C)C[NH+](CC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000578203018 390870161 /nfs/dbraw/zinc/87/01/61/390870161.db2.gz FVRNZMCWZHQGOV-LLVKDONJSA-N 2 2 251.374 0.681 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529352655 390817406 /nfs/dbraw/zinc/81/74/06/390817406.db2.gz CFUHTUUWSBBOTH-LLVKDONJSA-N 2 2 277.372 0.846 20 0 CCADLP CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](CC(C)(C)[NH3+])C1 ZINC000647553288 390841398 /nfs/dbraw/zinc/84/13/98/390841398.db2.gz POUXLGDKKPTZMB-JTQLQIEISA-N 2 2 267.295 0.724 20 0 CCADLP CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000647553288 390841399 /nfs/dbraw/zinc/84/13/99/390841399.db2.gz POUXLGDKKPTZMB-JTQLQIEISA-N 2 2 267.295 0.724 20 0 CCADLP CC[N@H+]1C[C@@H](C)N(C(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000578452900 390885468 /nfs/dbraw/zinc/88/54/68/390885468.db2.gz YAYYJNRXOQJWSM-TXEJJXNPSA-N 2 2 264.373 0.904 20 0 CCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000578452900 390885470 /nfs/dbraw/zinc/88/54/70/390885470.db2.gz YAYYJNRXOQJWSM-TXEJJXNPSA-N 2 2 264.373 0.904 20 0 CCADLP CC[NH+]1C[C@H](C)N(C(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000578452899 390885520 /nfs/dbraw/zinc/88/55/20/390885520.db2.gz YAYYJNRXOQJWSM-RYUDHWBXSA-N 2 2 264.373 0.904 20 0 CCADLP CC(=O)Nc1ccc(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cn1 ZINC000578500049 390887121 /nfs/dbraw/zinc/88/71/21/390887121.db2.gz JTLWDFGPPNCSSZ-CQSZACIVSA-N 2 2 292.383 0.585 20 0 CCADLP CCOC[C@@H](O)C[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000578545568 390891694 /nfs/dbraw/zinc/89/16/94/390891694.db2.gz VYZWYVMRUVJPLT-HIFRSBDPSA-N 2 2 286.416 0.569 20 0 CCADLP CCOC[C@@H](O)C[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000578545568 390891695 /nfs/dbraw/zinc/89/16/95/390891695.db2.gz VYZWYVMRUVJPLT-HIFRSBDPSA-N 2 2 286.416 0.569 20 0 CCADLP COC(=O)C[N@H+](CCn1cc[nH+]c1C)C1CCOCC1 ZINC000534299013 390892014 /nfs/dbraw/zinc/89/20/14/390892014.db2.gz NWOMPCVHSHYSJP-UHFFFAOYSA-N 2 2 281.356 0.846 20 0 CCADLP COC(=O)C[N@@H+](CCn1cc[nH+]c1C)C1CCOCC1 ZINC000534299013 390892017 /nfs/dbraw/zinc/89/20/17/390892017.db2.gz NWOMPCVHSHYSJP-UHFFFAOYSA-N 2 2 281.356 0.846 20 0 CCADLP C[C@@H]([NH2+]C1CC1)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000449140428 533333143 /nfs/dbraw/zinc/33/31/43/533333143.db2.gz NRPFGLKWUCUTRW-HIFRSBDPSA-N 2 2 295.427 0.840 20 0 CCADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCC[NH3+])c1C ZINC000418307420 533408236 /nfs/dbraw/zinc/40/82/36/533408236.db2.gz SVDFPAOFDLDPAX-UHFFFAOYSA-N 2 2 266.345 0.807 20 0 CCADLP CO[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000451535626 533411146 /nfs/dbraw/zinc/41/11/46/533411146.db2.gz AXKOYZWAZQSBCF-QWHCGFSZSA-N 2 2 269.389 0.117 20 0 CCADLP CO[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000451535626 533411149 /nfs/dbraw/zinc/41/11/49/533411149.db2.gz AXKOYZWAZQSBCF-QWHCGFSZSA-N 2 2 269.389 0.117 20 0 CCADLP CO[C@@H]1CC[N@H+](CCC(=O)Nc2cccnc2)[C@H](C[NH3+])C1 ZINC000358359808 533413903 /nfs/dbraw/zinc/41/39/03/533413903.db2.gz SBDSLFNOPDKEFA-UONOGXRCSA-N 2 2 292.383 0.848 20 0 CCADLP CO[C@@H]1CC[N@@H+](CCC(=O)Nc2cccnc2)[C@H](C[NH3+])C1 ZINC000358359808 533413907 /nfs/dbraw/zinc/41/39/07/533413907.db2.gz SBDSLFNOPDKEFA-UONOGXRCSA-N 2 2 292.383 0.848 20 0 CCADLP COC(=O)COC[C@H](C)[NH2+][C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000449191971 533552056 /nfs/dbraw/zinc/55/20/56/533552056.db2.gz PXESGHJOPKHOEA-AGIUHOORSA-N 2 2 272.389 0.883 20 0 CCADLP COC(=O)COC[C@H](C)[NH2+][C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000449191971 533552057 /nfs/dbraw/zinc/55/20/57/533552057.db2.gz PXESGHJOPKHOEA-AGIUHOORSA-N 2 2 272.389 0.883 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC000341836054 130081483 /nfs/dbraw/zinc/08/14/83/130081483.db2.gz CRHDLRPVFCKWCA-KGLIPLIRSA-N 2 2 283.416 0.648 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC000341836054 130081485 /nfs/dbraw/zinc/08/14/85/130081485.db2.gz CRHDLRPVFCKWCA-KGLIPLIRSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H](C)C1 ZINC000341836054 130081487 /nfs/dbraw/zinc/08/14/87/130081487.db2.gz CRHDLRPVFCKWCA-KGLIPLIRSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H](C)C1 ZINC000341836054 130081490 /nfs/dbraw/zinc/08/14/90/130081490.db2.gz CRHDLRPVFCKWCA-KGLIPLIRSA-N 2 2 283.416 0.648 20 0 CCADLP Cn1cc(N2CCC[C@H]([NH2+]CC3([NH3+])CCC3)C2=O)cn1 ZINC000342096242 130258502 /nfs/dbraw/zinc/25/85/02/130258502.db2.gz GXXZGXVTUIRRCO-LBPRGKRZSA-N 2 2 277.372 0.387 20 0 CCADLP [NH3+]C1(C[NH2+]CC(=O)NCCOc2ccc(F)cc2)CCC1 ZINC000342134393 130292592 /nfs/dbraw/zinc/29/25/92/130292592.db2.gz PQWNZNAERVDOOG-UHFFFAOYSA-N 2 2 295.358 0.792 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NCCn2cc[nH+]c2)CCC[N@H+]1C ZINC000342210925 130386931 /nfs/dbraw/zinc/38/69/31/130386931.db2.gz YPSMVDCUQXMIDZ-VXGBXAGGSA-N 2 2 265.361 0.665 20 0 CCADLP Cc1ccc(NCCCNC(=O)[C@@H]2C[NH2+]CCO2)[nH+]c1 ZINC000237667851 131051445 /nfs/dbraw/zinc/05/14/45/131051445.db2.gz KRROGFKLBAJLKK-LBPRGKRZSA-N 2 2 278.356 0.297 20 0 CCADLP [NH3+]C1(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC1 ZINC000237894163 131064225 /nfs/dbraw/zinc/06/42/25/131064225.db2.gz PTBGYZIIKIPZGL-UHFFFAOYSA-N 2 2 289.379 0.701 20 0 CCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CCC[NH2+]1 ZINC000237904243 131065197 /nfs/dbraw/zinc/06/51/97/131065197.db2.gz ANQXLEOOQMSFSL-RYUDHWBXSA-N 2 2 260.341 0.529 20 0 CCADLP C[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C[C@H]1n1cc[nH+]c1 ZINC000245709097 131089189 /nfs/dbraw/zinc/08/91/89/131089189.db2.gz ZAAZOYLIWRKZTR-VXGBXAGGSA-N 2 2 286.401 0.315 20 0 CCADLP C[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C[C@H]1n1cc[nH+]c1 ZINC000245709097 131089190 /nfs/dbraw/zinc/08/91/90/131089190.db2.gz ZAAZOYLIWRKZTR-VXGBXAGGSA-N 2 2 286.401 0.315 20 0 CCADLP C[C@H](CC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)[C@H]1CCC[NH2+]C1 ZINC000251543005 131129728 /nfs/dbraw/zinc/12/97/28/131129728.db2.gz LAHWNZRQRZZKDE-ILXRZTDVSA-N 2 2 296.459 0.374 20 0 CCADLP C[C@H](CC(=O)NC[C@H]1CN(C)CC[N@H+]1C)[C@H]1CCC[NH2+]C1 ZINC000251543005 131129729 /nfs/dbraw/zinc/12/97/29/131129729.db2.gz LAHWNZRQRZZKDE-ILXRZTDVSA-N 2 2 296.459 0.374 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC000252960272 131139826 /nfs/dbraw/zinc/13/98/26/131139826.db2.gz NAVQZXOQFBAXQW-UTUOFQBUSA-N 2 2 271.405 0.646 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253176578 131141228 /nfs/dbraw/zinc/14/12/28/131141228.db2.gz AEBQHRUHHDFUEK-VXGBXAGGSA-N 2 2 284.404 0.385 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253176578 131141230 /nfs/dbraw/zinc/14/12/30/131141230.db2.gz AEBQHRUHHDFUEK-VXGBXAGGSA-N 2 2 284.404 0.385 20 0 CCADLP C[C@H](C[NH3+])C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000262000524 131182429 /nfs/dbraw/zinc/18/24/29/131182429.db2.gz PPPLIUDSPJPIHU-LLVKDONJSA-N 2 2 262.357 0.893 20 0 CCADLP C[C@@H](C[NH3+])C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000262364636 131215147 /nfs/dbraw/zinc/21/51/47/131215147.db2.gz KVVCWBWRSWLWPT-DZGCQCFKSA-N 2 2 291.395 0.459 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000262386149 131216722 /nfs/dbraw/zinc/21/67/22/131216722.db2.gz NOFUCDIUQQYUHR-SECBINFHSA-N 2 2 251.286 0.407 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)NCCCNc1cccc[nH+]1 ZINC000262532322 131230183 /nfs/dbraw/zinc/23/01/83/131230183.db2.gz OGPQTHLOOCCSLX-QWRGUYRKSA-N 2 2 250.346 0.983 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000262942175 131274930 /nfs/dbraw/zinc/27/49/30/131274930.db2.gz UQKDTSOGBWYOML-LBPRGKRZSA-N 2 2 276.340 0.623 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@H]2CSC[NH2+]2)c[nH+]1 ZINC000269230912 132137487 /nfs/dbraw/zinc/13/74/87/132137487.db2.gz IPFXVJWWZJZQBD-SNVBAGLBSA-N 2 2 266.370 0.426 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000269252622 132142854 /nfs/dbraw/zinc/14/28/54/132142854.db2.gz ZMTTVHIWXSMRQI-SNVBAGLBSA-N 2 2 250.346 0.619 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000269267398 132146605 /nfs/dbraw/zinc/14/66/05/132146605.db2.gz ZVVLEWHWEPSLOM-NWDGAFQWSA-N 2 2 266.345 0.156 20 0 CCADLP c1c[nH]c(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)n1 ZINC000657751879 413058007 /nfs/dbraw/zinc/05/80/07/413058007.db2.gz VEGPPWSCCVDKIS-GFCCVEGCSA-N 2 2 250.346 0.753 20 0 CCADLP COC1CC[NH+](CC[NH2+][C@@H](C)Cn2cncn2)CC1 ZINC000657899256 413072623 /nfs/dbraw/zinc/07/26/23/413072623.db2.gz BCLOBBBDPWDKQQ-LBPRGKRZSA-N 2 2 267.377 0.367 20 0 CCADLP CC1(C)C[C@@H]([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)CO1 ZINC000657884443 413072903 /nfs/dbraw/zinc/07/29/03/413072903.db2.gz UHTRHJCJQQKLIZ-HUUCEWRRSA-N 2 2 297.443 0.550 20 0 CCADLP Cc1nc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)no1 ZINC000530240812 285581273 /nfs/dbraw/zinc/58/12/73/285581273.db2.gz OCUZNZJABCIFHH-ZDUSSCGKSA-N 2 2 280.372 0.969 20 0 CCADLP CC[C@@H](Cn1cncn1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658294012 413115702 /nfs/dbraw/zinc/11/57/02/413115702.db2.gz DSISMOOVKJUAOR-ZFWWWQNUSA-N 2 2 293.415 0.900 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000658424150 413146418 /nfs/dbraw/zinc/14/64/18/413146418.db2.gz ZFMAIPAZWXZRMX-SNVBAGLBSA-N 2 2 294.355 0.485 20 0 CCADLP O=C(C[NH2+]CC1CC1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000037799593 397385464 /nfs/dbraw/zinc/38/54/64/397385464.db2.gz KTMBHIINJWDJRE-AWEZNQCLSA-N 2 2 281.400 0.309 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000357069944 144056402 /nfs/dbraw/zinc/05/64/02/144056402.db2.gz IAGAJPJTZFYXTQ-KGLIPLIRSA-N 3 2 294.443 0.128 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000357069944 144056403 /nfs/dbraw/zinc/05/64/03/144056403.db2.gz IAGAJPJTZFYXTQ-KGLIPLIRSA-N 3 2 294.443 0.128 20 0 CCADLP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357074589 144057204 /nfs/dbraw/zinc/05/72/04/144057204.db2.gz IHAWEHGUYSDBAC-QWHCGFSZSA-N 2 2 251.374 0.396 20 0 CCADLP CN(CC1CC1)C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357074589 144057206 /nfs/dbraw/zinc/05/72/06/144057206.db2.gz IHAWEHGUYSDBAC-QWHCGFSZSA-N 2 2 251.374 0.396 20 0 CCADLP c1c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)nnn1Cc1cccnc1 ZINC000357122672 144062875 /nfs/dbraw/zinc/06/28/75/144062875.db2.gz QWAHFRDDYBCBDB-GJZGRUSLSA-N 2 2 298.394 0.763 20 0 CCADLP c1c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)nnn1Cc1cccnc1 ZINC000357122672 144062876 /nfs/dbraw/zinc/06/28/76/144062876.db2.gz QWAHFRDDYBCBDB-GJZGRUSLSA-N 2 2 298.394 0.763 20 0 CCADLP CCS(=O)(=O)N(C)CCC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000358004170 144141664 /nfs/dbraw/zinc/14/16/64/144141664.db2.gz KVFQZEWTEDNVIO-VXGBXAGGSA-N 2 2 277.434 0.198 20 0 CCADLP CCS(=O)(=O)N(C)CCC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000358004170 144141665 /nfs/dbraw/zinc/14/16/65/144141665.db2.gz KVFQZEWTEDNVIO-VXGBXAGGSA-N 2 2 277.434 0.198 20 0 CCADLP COc1ccc(C(=O)NCC[NH2+][C@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000358013997 144142380 /nfs/dbraw/zinc/14/23/80/144142380.db2.gz JOAJWIMXLGYEHK-DOMZBBRYSA-N 2 2 291.395 0.965 20 0 CCADLP COc1ccc(C(=O)NCC[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000358013997 144142382 /nfs/dbraw/zinc/14/23/82/144142382.db2.gz JOAJWIMXLGYEHK-DOMZBBRYSA-N 2 2 291.395 0.965 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCNC(=O)c1ccco1 ZINC000358054884 144146306 /nfs/dbraw/zinc/14/63/06/144146306.db2.gz AEGMIIMHOLYHMQ-MNOVXSKESA-N 2 2 251.330 0.549 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCNC(=O)c1ccco1 ZINC000358054884 144146308 /nfs/dbraw/zinc/14/63/08/144146308.db2.gz AEGMIIMHOLYHMQ-MNOVXSKESA-N 2 2 251.330 0.549 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)nc1 ZINC000358134300 144155756 /nfs/dbraw/zinc/15/57/56/144155756.db2.gz AXLSFSHEWFTTTE-HIFRSBDPSA-N 2 2 290.411 0.958 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)nc1 ZINC000358134300 144155757 /nfs/dbraw/zinc/15/57/57/144155757.db2.gz AXLSFSHEWFTTTE-HIFRSBDPSA-N 2 2 290.411 0.958 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000358567773 144162449 /nfs/dbraw/zinc/16/24/49/144162449.db2.gz YGGHBORSEOUBQK-CQSZACIVSA-N 2 2 285.432 0.801 20 0 CCADLP O[C@@H]1CCC[C@H]1[NH+]1CCN(CCCn2cc[nH+]c2)CC1 ZINC000371470860 144333089 /nfs/dbraw/zinc/33/30/89/144333089.db2.gz PAKLMLJIJILNMA-HUUCEWRRSA-N 2 2 278.400 0.804 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000543934941 285819779 /nfs/dbraw/zinc/81/97/79/285819779.db2.gz VBXINNRJXKYTSU-ZDUSSCGKSA-N 2 2 292.383 0.643 20 0 CCADLP CC(C)[NH+]1CCC([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000387427928 397504235 /nfs/dbraw/zinc/50/42/35/397504235.db2.gz PKRKPLGEIIKATN-HNNXBMFYSA-N 3 2 269.433 0.904 20 0 CCADLP CC(C)[NH+]1CCC([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000387427928 397504240 /nfs/dbraw/zinc/50/42/40/397504240.db2.gz PKRKPLGEIIKATN-HNNXBMFYSA-N 3 2 269.433 0.904 20 0 CCADLP C[C@@H]1C[C@H](C)[N@H+](Cc2nnnn2C2CC2)C[C@H]1C[NH3+] ZINC000397440667 397522053 /nfs/dbraw/zinc/52/20/53/397522053.db2.gz FLTOAIMHDUYLAV-OUAUKWLOSA-N 2 2 264.377 0.813 20 0 CCADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2nnnn2C2CC2)C[C@H]1C[NH3+] ZINC000397440667 397522057 /nfs/dbraw/zinc/52/20/57/397522057.db2.gz FLTOAIMHDUYLAV-OUAUKWLOSA-N 2 2 264.377 0.813 20 0 CCADLP CC(C)CC[C@H](O)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649684808 397654726 /nfs/dbraw/zinc/65/47/26/397654726.db2.gz CQIDNZOOVJLTPW-AWEZNQCLSA-N 2 2 285.432 0.489 20 0 CCADLP CC(C)CC[C@H](O)C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649684808 397654730 /nfs/dbraw/zinc/65/47/30/397654730.db2.gz CQIDNZOOVJLTPW-AWEZNQCLSA-N 2 2 285.432 0.489 20 0 CCADLP C[N@H+](CCC[NH3+])CC(=O)Nc1ccc(Cl)cn1 ZINC000649410160 397606084 /nfs/dbraw/zinc/60/60/84/397606084.db2.gz VHSLFXAHMDGPFI-UHFFFAOYSA-N 2 2 256.737 0.954 20 0 CCADLP C[N@@H+](CCC[NH3+])CC(=O)Nc1ccc(Cl)cn1 ZINC000649410160 397606085 /nfs/dbraw/zinc/60/60/85/397606085.db2.gz VHSLFXAHMDGPFI-UHFFFAOYSA-N 2 2 256.737 0.954 20 0 CCADLP [NH3+]CCN1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000649413613 397607631 /nfs/dbraw/zinc/60/76/31/397607631.db2.gz QOSZJDLAUDQTCC-CQSZACIVSA-N 2 2 283.803 0.950 20 0 CCADLP Cn1cc(N2CC[C@@H]([NH+]3CCC(C)([NH3+])CC3)C2=O)cn1 ZINC000649416032 397609594 /nfs/dbraw/zinc/60/95/94/397609594.db2.gz IVQLXPHIUUCDOS-GFCCVEGCSA-N 2 2 277.372 0.339 20 0 CCADLP Cc1cc(N2CC[N@@H+](CCO)C[C@@H]2C)nc(C)[nH+]1 ZINC000649566058 397636921 /nfs/dbraw/zinc/63/69/21/397636921.db2.gz WOEKBNDECPZFIW-NSHDSACASA-N 2 2 250.346 0.596 20 0 CCADLP Cc1cc(N2CC[N@H+](CCO)C[C@@H]2C)nc(C)[nH+]1 ZINC000649566058 397636923 /nfs/dbraw/zinc/63/69/23/397636923.db2.gz WOEKBNDECPZFIW-NSHDSACASA-N 2 2 250.346 0.596 20 0 CCADLP C[C@@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCCC[NH2+]1 ZINC000650742133 397752476 /nfs/dbraw/zinc/75/24/76/397752476.db2.gz RNVQQFMAUGKJTI-WOPDTQHZSA-N 2 2 275.418 0.141 20 0 CCADLP [NH3+]CC1(CC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000650748441 397753572 /nfs/dbraw/zinc/75/35/72/397753572.db2.gz UIABJDFCQHJTKI-STQMWFEESA-N 3 2 253.390 0.472 20 0 CCADLP CC(C)[C@@H](C(=O)NCCc1c[nH+]cn1C)[NH+](C)C ZINC000547482131 285947631 /nfs/dbraw/zinc/94/76/31/285947631.db2.gz PFRNCAYAGLQTMG-LBPRGKRZSA-N 2 2 252.362 0.665 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)C[NH+]1CCOCC1 ZINC000548191460 286015008 /nfs/dbraw/zinc/01/50/08/286015008.db2.gz VCZPNNHVRRIOFR-GFCCVEGCSA-N 2 2 280.372 0.047 20 0 CCADLP CO[C@H]1CC[N@H+](CCCN2CCOCC2)[C@H](C[NH3+])C1 ZINC000359052170 286058657 /nfs/dbraw/zinc/05/86/57/286058657.db2.gz FTOZPZOXCLZMTP-KBPBESRZSA-N 2 2 271.405 0.147 20 0 CCADLP CO[C@H]1CC[N@@H+](CCCN2CCOCC2)[C@H](C[NH3+])C1 ZINC000359052170 286058658 /nfs/dbraw/zinc/05/86/58/286058658.db2.gz FTOZPZOXCLZMTP-KBPBESRZSA-N 2 2 271.405 0.147 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000342137830 286069597 /nfs/dbraw/zinc/06/95/97/286069597.db2.gz PGPASSUJSLBSPQ-NSHDSACASA-N 2 2 257.378 0.389 20 0 CCADLP O[C@@H](C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)CC(F)(F)F ZINC000550635385 286110572 /nfs/dbraw/zinc/11/05/72/286110572.db2.gz DXQLRUHUVLGNAW-SECBINFHSA-N 2 2 278.278 0.845 20 0 CCADLP CO[C@]1(C)C[C@@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000093177795 286164104 /nfs/dbraw/zinc/16/41/04/286164104.db2.gz OCHSHCKUPBZCNU-CZUORRHYSA-N 2 2 297.443 0.896 20 0 CCADLP CO[C@]1(C)C[C@@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000093177795 286164105 /nfs/dbraw/zinc/16/41/05/286164105.db2.gz OCHSHCKUPBZCNU-CZUORRHYSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1[nH+]ccn1C ZINC000659026147 413260655 /nfs/dbraw/zinc/26/06/55/413260655.db2.gz XZJAFYDRMPXYLK-RQJHMYQMSA-N 2 2 279.266 0.670 20 0 CCADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+](C)CCN2C)[C@@H]1SC ZINC000459423098 286391146 /nfs/dbraw/zinc/39/11/46/286391146.db2.gz YTVWKPIZZRDSQP-FQUUOJAGSA-N 2 2 287.473 0.731 20 0 CCADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](C)CCN2C)[C@@H]1SC ZINC000459423098 286391147 /nfs/dbraw/zinc/39/11/47/286391147.db2.gz YTVWKPIZZRDSQP-FQUUOJAGSA-N 2 2 287.473 0.731 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339437371 292360040 /nfs/dbraw/zinc/36/00/40/292360040.db2.gz PBWGOSXJJPILSG-ZBFHGGJFSA-N 2 2 297.443 0.945 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339437371 292360042 /nfs/dbraw/zinc/36/00/42/292360042.db2.gz PBWGOSXJJPILSG-ZBFHGGJFSA-N 2 2 297.443 0.945 20 0 CCADLP COCCCNC(=O)[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339437371 292360043 /nfs/dbraw/zinc/36/00/43/292360043.db2.gz PBWGOSXJJPILSG-ZBFHGGJFSA-N 2 2 297.443 0.945 20 0 CCADLP COCCCNC(=O)[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339437371 292360044 /nfs/dbraw/zinc/36/00/44/292360044.db2.gz PBWGOSXJJPILSG-ZBFHGGJFSA-N 2 2 297.443 0.945 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000287937074 286818333 /nfs/dbraw/zinc/81/83/33/286818333.db2.gz XAAYTCZVFMUFAB-STQMWFEESA-N 2 2 291.399 0.910 20 0 CCADLP C[C@@H](C[NH3+])CNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000418476645 286823666 /nfs/dbraw/zinc/82/36/66/286823666.db2.gz SXQJTOKTTIYFHV-AAEUAGOBSA-N 2 2 278.356 0.839 20 0 CCADLP [NH3+]CC1(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CCCC1 ZINC000659357457 413441406 /nfs/dbraw/zinc/44/14/06/413441406.db2.gz IBSZBQNZZRCUAH-CYBMUJFWSA-N 2 2 281.400 0.439 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@H]1CCCC[NH2+]1 ZINC000422743525 287024902 /nfs/dbraw/zinc/02/49/02/287024902.db2.gz RQNUJJYWRTWLNJ-RBSFLKMASA-N 3 2 296.459 0.694 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@H]1CCCC[NH2+]1 ZINC000422743525 287024904 /nfs/dbraw/zinc/02/49/04/287024904.db2.gz RQNUJJYWRTWLNJ-RBSFLKMASA-N 3 2 296.459 0.694 20 0 CCADLP CS[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@@H]1[NH+](C)C ZINC000284305793 196025539 /nfs/dbraw/zinc/02/55/39/196025539.db2.gz GYRTXVIJJMQLJQ-XMXMHJJKSA-N 2 2 280.397 0.927 20 0 CCADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1nc(C(C)(C)C)no1 ZINC000071150322 411695341 /nfs/dbraw/zinc/69/53/41/411695341.db2.gz NSKYAEUDNBXGSR-UHFFFAOYSA-N 2 2 281.404 0.704 20 0 CCADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1nc(C(C)(C)C)no1 ZINC000071150322 411695345 /nfs/dbraw/zinc/69/53/45/411695345.db2.gz NSKYAEUDNBXGSR-UHFFFAOYSA-N 2 2 281.404 0.704 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000311152782 411750213 /nfs/dbraw/zinc/75/02/13/411750213.db2.gz NPRLFRBXWUBDSO-AAEUAGOBSA-N 2 2 254.378 0.772 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000311152782 411750218 /nfs/dbraw/zinc/75/02/18/411750218.db2.gz NPRLFRBXWUBDSO-AAEUAGOBSA-N 2 2 254.378 0.772 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CCO)C1 ZINC000311503053 411750551 /nfs/dbraw/zinc/75/05/51/411750551.db2.gz XIJQRAQFWPORMV-KBPBESRZSA-N 2 2 274.405 0.020 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CCO)C1 ZINC000311503053 411750555 /nfs/dbraw/zinc/75/05/55/411750555.db2.gz XIJQRAQFWPORMV-KBPBESRZSA-N 2 2 274.405 0.020 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000311503053 411750559 /nfs/dbraw/zinc/75/05/59/411750559.db2.gz XIJQRAQFWPORMV-KBPBESRZSA-N 2 2 274.405 0.020 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](CCO)C1 ZINC000311503053 411750561 /nfs/dbraw/zinc/75/05/61/411750561.db2.gz XIJQRAQFWPORMV-KBPBESRZSA-N 2 2 274.405 0.020 20 0 CCADLP Cc1nc(C)c(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)o1 ZINC000311871640 411751602 /nfs/dbraw/zinc/75/16/02/411751602.db2.gz UNNTVNKFFVXXPL-GFCCVEGCSA-N 2 2 253.346 0.838 20 0 CCADLP C[C@H]1C[NH2+]C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C1 ZINC000401710043 411781106 /nfs/dbraw/zinc/78/11/06/411781106.db2.gz HKDLAQFGVZTTDA-SFYZADRCSA-N 2 2 253.268 0.253 20 0 CCADLP OCc1ccc(C[NH2+]CCC[NH+]2CCOCC2)cc1 ZINC000133026711 411726898 /nfs/dbraw/zinc/72/68/98/411726898.db2.gz QQVGCNFBLURSAZ-UHFFFAOYSA-N 2 2 264.369 0.991 20 0 CCADLP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(C)(C)CC)C[C@H]1C[NH3+] ZINC000405237506 411799753 /nfs/dbraw/zinc/79/97/53/411799753.db2.gz ZKTIEBHTHUNUMB-JHJVBQTASA-N 2 2 285.432 0.975 20 0 CCADLP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)NC(C)(C)CC)C[C@H]1C[NH3+] ZINC000405237506 411799757 /nfs/dbraw/zinc/79/97/57/411799757.db2.gz ZKTIEBHTHUNUMB-JHJVBQTASA-N 2 2 285.432 0.975 20 0 CCADLP C[C@@H](CC(=O)NCCOCC[NH+](C)C)n1cc[nH+]c1 ZINC000651667811 411915475 /nfs/dbraw/zinc/91/54/75/411915475.db2.gz SKUCLDHNYROZOA-LBPRGKRZSA-N 2 2 268.361 0.529 20 0 CCADLP O=C(NCCC1CC[NH2+]CC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000652180304 411997630 /nfs/dbraw/zinc/99/76/30/411997630.db2.gz PDIUFMNVGOUDRH-ZDUSSCGKSA-N 2 2 291.399 0.887 20 0 CCADLP O=C(NCCC1CC[NH2+]CC1)N1CCn2c[nH+]cc2C1 ZINC000652321854 412027928 /nfs/dbraw/zinc/02/79/28/412027928.db2.gz SUDRIIMBVSZCRL-UHFFFAOYSA-N 2 2 277.372 0.798 20 0 CCADLP C[C@H](CC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21)n1cc[nH+]c1 ZINC000652322611 412028292 /nfs/dbraw/zinc/02/82/92/412028292.db2.gz PNGOTDULCBTWMV-JHJVBQTASA-N 2 2 262.357 0.997 20 0 CCADLP C[C@H](CC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21)n1cc[nH+]c1 ZINC000652322611 412028295 /nfs/dbraw/zinc/02/82/95/412028295.db2.gz PNGOTDULCBTWMV-JHJVBQTASA-N 2 2 262.357 0.997 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000652338527 412031326 /nfs/dbraw/zinc/03/13/26/412031326.db2.gz RVGXUUQOBOAISP-OAHLLOKOSA-N 2 2 279.384 0.485 20 0 CCADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+])C(=O)N(C)C ZINC000652355415 412035663 /nfs/dbraw/zinc/03/56/63/412035663.db2.gz XPYAFECXHHIRLM-FRRDWIJNSA-N 2 2 298.431 0.029 20 0 CCADLP C[C@H](NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+])C(=O)N(C)C ZINC000652355415 412035665 /nfs/dbraw/zinc/03/56/65/412035665.db2.gz XPYAFECXHHIRLM-FRRDWIJNSA-N 2 2 298.431 0.029 20 0 CCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000284559273 196084629 /nfs/dbraw/zinc/08/46/29/196084629.db2.gz HDSAXPIQFJWNBQ-WZRBSPASSA-N 2 2 280.372 0.321 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1CCC[NH2+]C1 ZINC000653044694 412198373 /nfs/dbraw/zinc/19/83/73/412198373.db2.gz XISNHCRPQQZBRU-NSHDSACASA-N 2 2 262.357 0.630 20 0 CCADLP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653043812 412199013 /nfs/dbraw/zinc/19/90/13/412199013.db2.gz CINRWGITSVWEEU-CHWSQXEVSA-N 3 2 294.399 0.090 20 0 CCADLP CCCC[C@@H](COC)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653093617 412215210 /nfs/dbraw/zinc/21/52/10/412215210.db2.gz IJJBVNNAFLEPSR-NWDGAFQWSA-N 2 2 259.394 0.587 20 0 CCADLP COc1ccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653057144 412203928 /nfs/dbraw/zinc/20/39/28/412203928.db2.gz QLCAEHRXKNRXOQ-ZDUSSCGKSA-N 2 2 265.357 0.590 20 0 CCADLP CCNC(=O)c1cccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000653059807 412206213 /nfs/dbraw/zinc/20/62/13/412206213.db2.gz NVLXQNXUYOENPH-ZDUSSCGKSA-N 2 2 292.383 0.654 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCc1ccccc1F ZINC000653060809 412206462 /nfs/dbraw/zinc/20/64/62/412206462.db2.gz SKXCWNHFMZDZSU-ZDUSSCGKSA-N 2 2 267.348 0.763 20 0 CCADLP CO[C@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccccc1 ZINC000653064432 412206820 /nfs/dbraw/zinc/20/68/20/412206820.db2.gz ULYUMRNADDCQEI-ZIAGYGMSSA-N 2 2 279.384 0.769 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)CCO2 ZINC000653071366 412208415 /nfs/dbraw/zinc/20/84/15/412208415.db2.gz DJSVMBMOKMPOPM-GFCCVEGCSA-N 2 2 263.341 0.839 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCCOC1CCCC1 ZINC000653081182 412211374 /nfs/dbraw/zinc/21/13/74/412211374.db2.gz FNUFKAXNNDFAJK-CYBMUJFWSA-N 2 2 271.405 0.731 20 0 CCADLP COCCN(CC(F)F)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653084984 412213061 /nfs/dbraw/zinc/21/30/61/412213061.db2.gz ZOQVIWWBPBWUGD-VIFPVBQESA-N 2 2 267.320 0.006 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)[C@H](C)[NH+](C)C)C(C)(C)C1 ZINC000652926207 412165590 /nfs/dbraw/zinc/16/55/90/412165590.db2.gz POOWRIUAINKQAS-LBPRGKRZSA-N 2 2 271.405 0.506 20 0 CCADLP COCC[N@H+]1CCN(C(=O)[C@H](C)[NH+](C)C)C(C)(C)C1 ZINC000652926207 412165591 /nfs/dbraw/zinc/16/55/91/412165591.db2.gz POOWRIUAINKQAS-LBPRGKRZSA-N 2 2 271.405 0.506 20 0 CCADLP CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1(C)C ZINC000653094378 412215639 /nfs/dbraw/zinc/21/56/39/412215639.db2.gz CWQOYLGSNUDGAC-RWMBFGLXSA-N 2 2 285.432 0.927 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H](CCO)c1ccccc1 ZINC000653091018 412214280 /nfs/dbraw/zinc/21/42/80/412214280.db2.gz HAWBHDJVYHMPDQ-CABCVRRESA-N 2 2 293.411 0.548 20 0 CCADLP CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653090667 412214307 /nfs/dbraw/zinc/21/43/07/412214307.db2.gz XNYAAEDOZBAMSV-AVGNSLFASA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)O[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653198620 412257774 /nfs/dbraw/zinc/25/77/74/412257774.db2.gz FOLNUAWFMFNOOU-OLZOCXBDSA-N 2 2 271.405 0.681 20 0 CCADLP Cn1nccc1[C@@H]1CCCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653204965 412258776 /nfs/dbraw/zinc/25/87/76/412258776.db2.gz LASGQJNMPMYWER-OCCSQVGLSA-N 2 2 293.415 0.753 20 0 CCADLP C[C@H](C(=O)NCCC1CC[NH2+]CC1)[NH+]1CCN(C)CC1 ZINC000653272718 412276026 /nfs/dbraw/zinc/27/60/26/412276026.db2.gz ZRXOFKAOZOBSIV-CYBMUJFWSA-N 2 2 282.432 0.128 20 0 CCADLP CC[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1c(C)nn(C)c1C ZINC000653098664 412217057 /nfs/dbraw/zinc/21/70/57/412217057.db2.gz UQGGFNDJWKLSFN-QWHCGFSZSA-N 2 2 295.431 0.883 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)Oc1cccc(F)c1 ZINC000653096179 412217127 /nfs/dbraw/zinc/21/71/27/412217127.db2.gz FVYNDBCIRBFQAD-FZMZJTMJSA-N 2 2 297.374 0.988 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC1(CCO)CCCC1 ZINC000653102393 412219167 /nfs/dbraw/zinc/21/91/67/412219167.db2.gz WQZPIHVSFNAJRT-GFCCVEGCSA-N 2 2 271.405 0.324 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000653104570 412219581 /nfs/dbraw/zinc/21/95/81/412219581.db2.gz LNNAGZIYNAPKLZ-YVECIDJPSA-N 2 2 269.389 0.339 20 0 CCADLP CC(C)CO[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653104584 412220070 /nfs/dbraw/zinc/22/00/70/412220070.db2.gz MBGYMDMVRDZLIF-OLZOCXBDSA-N 2 2 271.405 0.539 20 0 CCADLP CN(CCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1ccccc1 ZINC000653106274 412220583 /nfs/dbraw/zinc/22/05/83/412220583.db2.gz ZKHXIUNUSFEQGY-HNNXBMFYSA-N 2 2 292.427 0.908 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000653105346 412220823 /nfs/dbraw/zinc/22/08/23/412220823.db2.gz QYAFXJCKRBLANL-NEPJUHHUSA-N 3 2 298.456 0.746 20 0 CCADLP O=C([C@H]1CCC[NH2+]CC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000653111987 412224654 /nfs/dbraw/zinc/22/46/54/412224654.db2.gz IFWPYEZEYQQHGO-LSDHHAIUSA-N 2 2 295.427 0.699 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000653113868 412225689 /nfs/dbraw/zinc/22/56/89/412225689.db2.gz QOOJJONQXXJODH-KBPBESRZSA-N 3 2 284.448 0.502 20 0 CCADLP CN(C)c1ccccc1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653115783 412226403 /nfs/dbraw/zinc/22/64/03/412226403.db2.gz ZOIXYVJJFYZYNG-ZDUSSCGKSA-N 2 2 278.400 0.648 20 0 CCADLP Cc1nc(C)c(CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)s1 ZINC000653119054 412227587 /nfs/dbraw/zinc/22/75/87/412227587.db2.gz ZEXFQMYCYFHTDC-NSHDSACASA-N 2 2 284.429 0.698 20 0 CCADLP Cc1nc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)sc1C ZINC000653121042 412229872 /nfs/dbraw/zinc/22/98/72/412229872.db2.gz LXUAKVJRXMMJHR-JTQLQIEISA-N 2 2 270.402 0.655 20 0 CCADLP CC[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1nccs1 ZINC000653121573 412230489 /nfs/dbraw/zinc/23/04/89/412230489.db2.gz ZDBVPEPOUQVPOW-UWVGGRQHSA-N 2 2 270.402 0.989 20 0 CCADLP C[C@H]1C[C@H](C[NH3+])CN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653126823 412233902 /nfs/dbraw/zinc/23/39/02/412233902.db2.gz JJSDOBTYAQLIDR-NWDGAFQWSA-N 2 2 276.384 0.958 20 0 CCADLP Cc1ccc(O)c(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000653134445 412236726 /nfs/dbraw/zinc/23/67/26/412236726.db2.gz ZZSKECTZQUCLSQ-SNVBAGLBSA-N 2 2 251.330 0.918 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000653148291 412242076 /nfs/dbraw/zinc/24/20/76/412242076.db2.gz VROCIGOTEPKBAT-HNNXBMFYSA-N 3 2 296.459 0.742 20 0 CCADLP COCCNc1ccccc1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653149067 412242284 /nfs/dbraw/zinc/24/22/84/412242284.db2.gz VNOLFOIHYABPGI-GFCCVEGCSA-N 2 2 294.399 0.962 20 0 CCADLP COc1cnccc1[C@@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653151517 412242974 /nfs/dbraw/zinc/24/29/74/412242974.db2.gz JHJFCHKIHSAYGE-PWSUYJOCSA-N 2 2 280.372 0.546 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC[C@H]1CCCCO1 ZINC000653151604 412243248 /nfs/dbraw/zinc/24/32/48/412243248.db2.gz LMCLKUBSIRIBBR-VXGBXAGGSA-N 2 2 257.378 0.341 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC[C@@H]1CCCCO1 ZINC000653151603 412244016 /nfs/dbraw/zinc/24/40/16/412244016.db2.gz LMCLKUBSIRIBBR-RYUDHWBXSA-N 2 2 257.378 0.341 20 0 CCADLP COCC1(C)CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653153835 412244942 /nfs/dbraw/zinc/24/49/42/412244942.db2.gz ABINBCZJCJIRAL-LBPRGKRZSA-N 2 2 271.405 0.541 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000653162655 412248570 /nfs/dbraw/zinc/24/85/70/412248570.db2.gz VTPVVLGDZBSHFG-LSDHHAIUSA-N 3 2 292.427 0.862 20 0 CCADLP [NH3+]C[C@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CCCO1 ZINC000653164248 412249671 /nfs/dbraw/zinc/24/96/71/412249671.db2.gz ZJNCTWZLAVIOKO-ZDUSSCGKSA-N 2 2 292.383 0.338 20 0 CCADLP CC[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H]1CCCO1 ZINC000653173135 412252398 /nfs/dbraw/zinc/25/23/98/412252398.db2.gz DWLGPCJHGJTQAT-GRYCIOLGSA-N 2 2 257.378 0.339 20 0 CCADLP COCCOC[C@H](O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000653590576 412322546 /nfs/dbraw/zinc/32/25/46/412322546.db2.gz MLEZYJUGGNGQCM-QWHCGFSZSA-N 2 2 283.372 0.233 20 0 CCADLP COCCOC[C@H](O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000653590576 412322548 /nfs/dbraw/zinc/32/25/48/412322548.db2.gz MLEZYJUGGNGQCM-QWHCGFSZSA-N 2 2 283.372 0.233 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C(=O)N1CCCC1)C(C)C ZINC000653605079 412323775 /nfs/dbraw/zinc/32/37/75/412323775.db2.gz FVTCASPMVGZWBH-KGLIPLIRSA-N 2 2 285.432 0.536 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C(=O)N1CCCC1)C(C)C ZINC000653605079 412323778 /nfs/dbraw/zinc/32/37/78/412323778.db2.gz FVTCASPMVGZWBH-KGLIPLIRSA-N 2 2 285.432 0.536 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000653642833 412329477 /nfs/dbraw/zinc/32/94/77/412329477.db2.gz YHKNPXAZJCIIRY-HUUCEWRRSA-N 3 2 287.448 0.342 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000653642833 412329478 /nfs/dbraw/zinc/32/94/78/412329478.db2.gz YHKNPXAZJCIIRY-HUUCEWRRSA-N 3 2 287.448 0.342 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000653642833 412329482 /nfs/dbraw/zinc/32/94/82/412329482.db2.gz YHKNPXAZJCIIRY-HUUCEWRRSA-N 3 2 287.448 0.342 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000653642833 412329485 /nfs/dbraw/zinc/32/94/85/412329485.db2.gz YHKNPXAZJCIIRY-HUUCEWRRSA-N 3 2 287.448 0.342 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC([C@@H](C)CO)CC1 ZINC000653778756 412346445 /nfs/dbraw/zinc/34/64/45/412346445.db2.gz FSZBWWMTOMOEFW-ZFWWWQNUSA-N 2 2 288.432 0.266 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC([C@@H](C)CO)CC1 ZINC000653778756 412346447 /nfs/dbraw/zinc/34/64/47/412346447.db2.gz FSZBWWMTOMOEFW-ZFWWWQNUSA-N 2 2 288.432 0.266 20 0 CCADLP COCC[N@H+](CCc1c[nH+]cn1C)C[C@@H](O)C(F)(F)F ZINC000653786760 412348566 /nfs/dbraw/zinc/34/85/66/412348566.db2.gz BPSZEYRCVDKJER-LLVKDONJSA-N 2 2 295.305 0.834 20 0 CCADLP COCC[N@@H+](CCc1c[nH+]cn1C)C[C@@H](O)C(F)(F)F ZINC000653786760 412348568 /nfs/dbraw/zinc/34/85/68/412348568.db2.gz BPSZEYRCVDKJER-LLVKDONJSA-N 2 2 295.305 0.834 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654662625 412425647 /nfs/dbraw/zinc/42/56/47/412425647.db2.gz WMUCDUIGGDWLHB-TXEJJXNPSA-N 2 2 279.388 0.902 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000654830647 412442762 /nfs/dbraw/zinc/44/27/62/412442762.db2.gz VQTZGZYZNUXQHA-GFCCVEGCSA-N 2 2 282.388 0.673 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000654830647 412442765 /nfs/dbraw/zinc/44/27/65/412442765.db2.gz VQTZGZYZNUXQHA-GFCCVEGCSA-N 2 2 282.388 0.673 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000654830647 412442766 /nfs/dbraw/zinc/44/27/66/412442766.db2.gz VQTZGZYZNUXQHA-GFCCVEGCSA-N 2 2 282.388 0.673 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000654830647 412442769 /nfs/dbraw/zinc/44/27/69/412442769.db2.gz VQTZGZYZNUXQHA-GFCCVEGCSA-N 2 2 282.388 0.673 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1(C)C ZINC000655051534 412468228 /nfs/dbraw/zinc/46/82/28/412468228.db2.gz LQCHVHXAOZYUQN-GFCCVEGCSA-N 2 2 276.384 0.998 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1(C)C ZINC000655051534 412468230 /nfs/dbraw/zinc/46/82/30/412468230.db2.gz LQCHVHXAOZYUQN-GFCCVEGCSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000655070956 412473407 /nfs/dbraw/zinc/47/34/07/412473407.db2.gz POGKZWLLTXSKSW-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000655070956 412473410 /nfs/dbraw/zinc/47/34/10/412473410.db2.gz POGKZWLLTXSKSW-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C[NH+]2CC(C)(C)C2)C1 ZINC000655104471 412477330 /nfs/dbraw/zinc/47/73/30/412477330.db2.gz HMYISKBTRJXXPY-RYUDHWBXSA-N 2 2 251.374 0.491 20 0 CCADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)C[NH+]2CC(C)(C)C2)C1 ZINC000655104471 412477333 /nfs/dbraw/zinc/47/73/33/412477333.db2.gz HMYISKBTRJXXPY-RYUDHWBXSA-N 2 2 251.374 0.491 20 0 CCADLP O=C(NCCCNc1cccc[nH+]1)NCC12CC(C1)C[NH2+]2 ZINC000659436498 413497921 /nfs/dbraw/zinc/49/79/21/413497921.db2.gz MNBRZDDUTHSDGT-UHFFFAOYSA-N 2 2 289.383 0.935 20 0 CCADLP O=C(NCCCCn1cc[nH+]c1)NCC12CC(C1)C[NH2+]2 ZINC000659440991 413503211 /nfs/dbraw/zinc/50/32/11/413503211.db2.gz NBYGUZRVWXHNCA-UHFFFAOYSA-N 2 2 277.372 0.715 20 0 CCADLP CN(CC(C)(C)[NH3+])C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000659447949 413507047 /nfs/dbraw/zinc/50/70/47/413507047.db2.gz OMTJENLVALUVNU-UHFFFAOYSA-N 2 2 286.420 0.476 20 0 CCADLP CN(CC(C)(C)[NH3+])C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000659447949 413507051 /nfs/dbraw/zinc/50/70/51/413507051.db2.gz OMTJENLVALUVNU-UHFFFAOYSA-N 2 2 286.420 0.476 20 0 CCADLP C[C@@H](C(=O)N(C)C)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000576283507 335182812 /nfs/dbraw/zinc/18/28/12/335182812.db2.gz RXKPRMHVEBVSIE-LBPRGKRZSA-N 2 2 283.416 0.290 20 0 CCADLP C[C@@H](NC(=O)NC[C@H]1CCC[NH2+]C1)c1[nH+]ccn1C ZINC000659509004 413572048 /nfs/dbraw/zinc/57/20/48/413572048.db2.gz CVULZXVKALZTAH-MNOVXSKESA-N 2 2 265.361 0.780 20 0 CCADLP C[C@@H](NC(=O)N[C@@H](C[NH3+])C1CC1)c1[nH+]ccn1C ZINC000659517644 413584381 /nfs/dbraw/zinc/58/43/81/413584381.db2.gz ABODIKYMJHTCDA-SCZZXKLOSA-N 2 2 251.334 0.518 20 0 CCADLP C[C@@H](CCCC[NH3+])NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659550423 413640411 /nfs/dbraw/zinc/64/04/11/413640411.db2.gz XLRIJHFGLBVMPG-KBPBESRZSA-N 2 2 298.431 0.620 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659556816 413652585 /nfs/dbraw/zinc/65/25/85/413652585.db2.gz VNVWKYXKXVWKIJ-YNEHKIRRSA-N 2 2 284.404 0.228 20 0 CCADLP O=C(N[C@@H]1CCC[NH2+]CC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659535517 413618858 /nfs/dbraw/zinc/61/88/58/413618858.db2.gz JTXCSCYEUHDYFO-KGLIPLIRSA-N 2 2 296.415 0.245 20 0 CCADLP CC(C)[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C1CC1 ZINC000659609933 413696698 /nfs/dbraw/zinc/69/66/98/413696698.db2.gz YGEMPUNYFXWSJK-CHWSQXEVSA-N 2 2 268.405 0.705 20 0 CCADLP CC(C)[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C1CC1 ZINC000659609933 413696708 /nfs/dbraw/zinc/69/67/08/413696708.db2.gz YGEMPUNYFXWSJK-CHWSQXEVSA-N 2 2 268.405 0.705 20 0 CCADLP C[C@@H](NC(=O)N1CC[C@](C)(C[NH3+])C1)c1[nH+]ccn1C ZINC000659627341 413724716 /nfs/dbraw/zinc/72/47/16/413724716.db2.gz HIWZYKOLBVJIBF-ZWNOBZJWSA-N 2 2 265.361 0.861 20 0 CCADLP CC(=O)N(C)C1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000659861938 413924220 /nfs/dbraw/zinc/92/42/20/413924220.db2.gz KRTCVEPKARMNBP-HNNXBMFYSA-N 2 2 285.432 0.630 20 0 CCADLP CC(=O)N(C)C1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000659861938 413924230 /nfs/dbraw/zinc/92/42/30/413924230.db2.gz KRTCVEPKARMNBP-HNNXBMFYSA-N 2 2 285.432 0.630 20 0 CCADLP CN1CC(=O)N(CC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1=O ZINC000659881892 413939294 /nfs/dbraw/zinc/93/92/94/413939294.db2.gz BFHBLBBSQYCIIG-LBPRGKRZSA-N 2 2 291.355 0.414 20 0 CCADLP CN1CC(=O)N(CC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1=O ZINC000659881892 413939299 /nfs/dbraw/zinc/93/92/99/413939299.db2.gz BFHBLBBSQYCIIG-LBPRGKRZSA-N 2 2 291.355 0.414 20 0 CCADLP C[NH+](C)C1CC[NH+](CCc2nnn(C(C)(C)C)n2)CC1 ZINC000659839180 413906510 /nfs/dbraw/zinc/90/65/10/413906510.db2.gz SMZUQXIAFCKWJA-UHFFFAOYSA-N 2 2 280.420 0.997 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000659925678 413974172 /nfs/dbraw/zinc/97/41/72/413974172.db2.gz JCWOSNCLFDHGDE-KGLIPLIRSA-N 2 2 298.431 0.177 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000659925678 413974176 /nfs/dbraw/zinc/97/41/76/413974176.db2.gz JCWOSNCLFDHGDE-KGLIPLIRSA-N 2 2 298.431 0.177 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000659925678 413974182 /nfs/dbraw/zinc/97/41/82/413974182.db2.gz JCWOSNCLFDHGDE-KGLIPLIRSA-N 2 2 298.431 0.177 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000659925678 413974191 /nfs/dbraw/zinc/97/41/91/413974191.db2.gz JCWOSNCLFDHGDE-KGLIPLIRSA-N 2 2 298.431 0.177 20 0 CCADLP CN1CC(=O)N(CC[NH+]2CCC(n3cc[nH+]c3)CC2)C1=O ZINC000659998557 414037254 /nfs/dbraw/zinc/03/72/54/414037254.db2.gz IKWQSSPZGDDVGU-UHFFFAOYSA-N 2 2 291.355 0.414 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[NH+]([C@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000660125348 414133304 /nfs/dbraw/zinc/13/33/04/414133304.db2.gz HACZYSKLISTRFS-XHSDSOJGSA-N 2 2 297.443 0.502 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[NH+]([C@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000660125348 414133314 /nfs/dbraw/zinc/13/33/14/414133314.db2.gz HACZYSKLISTRFS-XHSDSOJGSA-N 2 2 297.443 0.502 20 0 CCADLP CCN1CC[C@@H]([N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1=O ZINC000660128852 414140347 /nfs/dbraw/zinc/14/03/47/414140347.db2.gz NVIBLNKOKNGQJV-NWDGAFQWSA-N 2 2 262.357 0.830 20 0 CCADLP CCN1CC[C@@H]([N@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1=O ZINC000660128852 414140354 /nfs/dbraw/zinc/14/03/54/414140354.db2.gz NVIBLNKOKNGQJV-NWDGAFQWSA-N 2 2 262.357 0.830 20 0 CCADLP CC1(C)C[C@@H]([NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)CO1 ZINC000660120849 414123227 /nfs/dbraw/zinc/12/32/27/414123227.db2.gz ONRDTADAPJEIAG-KGLIPLIRSA-N 2 2 295.427 0.968 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000660345929 414257029 /nfs/dbraw/zinc/25/70/29/414257029.db2.gz PSENHJQQGRHIJO-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000660345929 414257037 /nfs/dbraw/zinc/25/70/37/414257037.db2.gz PSENHJQQGRHIJO-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)N(C)CC1C[NH+](C)C1 ZINC000660340584 414258667 /nfs/dbraw/zinc/25/86/67/414258667.db2.gz QBFQVCJIILACCH-UHFFFAOYSA-N 2 2 291.399 0.851 20 0 CCADLP O=C1NCC[C@@H]1CC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660476183 414347258 /nfs/dbraw/zinc/34/72/58/414347258.db2.gz XROJIOIAQZCJRA-HUUCEWRRSA-N 2 2 295.427 0.699 20 0 CCADLP O=C1NCC[C@@H]1CC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660476183 414347263 /nfs/dbraw/zinc/34/72/63/414347263.db2.gz XROJIOIAQZCJRA-HUUCEWRRSA-N 2 2 295.427 0.699 20 0 CCADLP CCCNC(=O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660652600 414428049 /nfs/dbraw/zinc/42/80/49/414428049.db2.gz KOZSJSLNFXHTGB-CQSZACIVSA-N 2 2 253.390 0.930 20 0 CCADLP CCCNC(=O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660652600 414428053 /nfs/dbraw/zinc/42/80/53/414428053.db2.gz KOZSJSLNFXHTGB-CQSZACIVSA-N 2 2 253.390 0.930 20 0 CCADLP CCCNC(=O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660652600 414428059 /nfs/dbraw/zinc/42/80/59/414428059.db2.gz KOZSJSLNFXHTGB-CQSZACIVSA-N 2 2 253.390 0.930 20 0 CCADLP CCCNC(=O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660652600 414428064 /nfs/dbraw/zinc/42/80/64/414428064.db2.gz KOZSJSLNFXHTGB-CQSZACIVSA-N 2 2 253.390 0.930 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cccc(O)c1 ZINC000038031093 174024951 /nfs/dbraw/zinc/02/49/51/174024951.db2.gz VDAGCCHDOCVFLG-UHFFFAOYSA-N 2 2 263.341 0.256 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cccc(O)c1 ZINC000038031093 174024952 /nfs/dbraw/zinc/02/49/52/174024952.db2.gz VDAGCCHDOCVFLG-UHFFFAOYSA-N 2 2 263.341 0.256 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000662261285 414701853 /nfs/dbraw/zinc/70/18/53/414701853.db2.gz HIUXTQUKHIFMIH-OLZOCXBDSA-N 2 2 291.399 0.392 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000662261285 414701854 /nfs/dbraw/zinc/70/18/54/414701854.db2.gz HIUXTQUKHIFMIH-OLZOCXBDSA-N 2 2 291.399 0.392 20 0 CCADLP Cc1cc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)nc(C)n1 ZINC000662273162 414703829 /nfs/dbraw/zinc/70/38/29/414703829.db2.gz LYLHHXOYSMEMRF-OAHLLOKOSA-N 2 2 275.400 0.573 20 0 CCADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1coc(S(N)(=O)=O)c1 ZINC000662276220 414704374 /nfs/dbraw/zinc/70/43/74/414704374.db2.gz HKMBHGOLTIBUEA-VIFPVBQESA-N 2 2 275.374 0.390 20 0 CCADLP OCC1([NH2+]Cc2cc(C3CC3)no2)CC[NH2+]CC1 ZINC000662282570 414705650 /nfs/dbraw/zinc/70/56/50/414705650.db2.gz CNNQAPQEMRHWER-UHFFFAOYSA-N 2 2 251.330 0.756 20 0 CCADLP Cc1cc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)no1 ZINC000662281162 414705914 /nfs/dbraw/zinc/70/59/14/414705914.db2.gz JDABCINJSSYLCS-ZDUSSCGKSA-N 2 2 276.344 0.870 20 0 CCADLP Cc1cc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)no1 ZINC000662281162 414705915 /nfs/dbraw/zinc/70/59/15/414705915.db2.gz JDABCINJSSYLCS-ZDUSSCGKSA-N 2 2 276.344 0.870 20 0 CCADLP CCc1nnc([C@H](C)[NH+]2CCC(O)(C[NH3+])CC2)[nH]1 ZINC000662283782 414706097 /nfs/dbraw/zinc/70/60/97/414706097.db2.gz PVPSOHUVJCPVQX-VIFPVBQESA-N 2 2 253.350 0.214 20 0 CCADLP CCc1ccc(NC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)cc1 ZINC000662286718 414706502 /nfs/dbraw/zinc/70/65/02/414706502.db2.gz ZHLWCHXCKIDFHR-UHFFFAOYSA-N 2 2 291.395 0.892 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662349084 414711471 /nfs/dbraw/zinc/71/14/71/414711471.db2.gz XTPISUSQWYTUBV-NSHDSACASA-N 2 2 288.355 0.503 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295918 414707573 /nfs/dbraw/zinc/70/75/73/414707573.db2.gz WXGXQUXPWOTRSQ-CABCVRRESA-N 3 2 267.417 0.686 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295918 414707574 /nfs/dbraw/zinc/70/75/74/414707574.db2.gz WXGXQUXPWOTRSQ-CABCVRRESA-N 3 2 267.417 0.686 20 0 CCADLP CNS(=O)(=O)c1ccc(C[N@H+](C)CC(C)(C)[NH3+])cc1 ZINC000662294830 414707709 /nfs/dbraw/zinc/70/77/09/414707709.db2.gz ODARTVMWBJHHPR-UHFFFAOYSA-N 2 2 285.413 0.764 20 0 CCADLP CNS(=O)(=O)c1ccc(C[N@@H+](C)CC(C)(C)[NH3+])cc1 ZINC000662294830 414707710 /nfs/dbraw/zinc/70/77/10/414707710.db2.gz ODARTVMWBJHHPR-UHFFFAOYSA-N 2 2 285.413 0.764 20 0 CCADLP [NH3+]CC12CC(C1)C[N@@H+]2CCC(=O)Nc1cccnc1 ZINC000662303385 414707781 /nfs/dbraw/zinc/70/77/81/414707781.db2.gz BPEQZECKPBGSAJ-UHFFFAOYSA-N 2 2 260.341 0.833 20 0 CCADLP [NH3+]CC12CC(C1)C[N@H+]2CCC(=O)Nc1cccnc1 ZINC000662303385 414707782 /nfs/dbraw/zinc/70/77/82/414707782.db2.gz BPEQZECKPBGSAJ-UHFFFAOYSA-N 2 2 260.341 0.833 20 0 CCADLP C[NH+](C)CCC[C@H]1C[N@H+](CCn2ccccc2=O)CCO1 ZINC000662324173 414709820 /nfs/dbraw/zinc/70/98/20/414709820.db2.gz VQRHGRWWBHQUGU-HNNXBMFYSA-N 2 2 293.411 0.891 20 0 CCADLP C[NH+](C)CCC[C@H]1C[N@@H+](CCn2ccccc2=O)CCO1 ZINC000662324173 414709821 /nfs/dbraw/zinc/70/98/21/414709821.db2.gz VQRHGRWWBHQUGU-HNNXBMFYSA-N 2 2 293.411 0.891 20 0 CCADLP C[C@H]1C[N@H+](CCN2CCO[C@H](CCC[NH+](C)C)C2)CCO1 ZINC000662323990 414710026 /nfs/dbraw/zinc/71/00/26/414710026.db2.gz RTXLOGLSILBBNR-JKSUJKDBSA-N 2 2 299.459 0.750 20 0 CCADLP C[C@H]1C[N@@H+](CCN2CCO[C@H](CCC[NH+](C)C)C2)CCO1 ZINC000662323990 414710027 /nfs/dbraw/zinc/71/00/27/414710027.db2.gz RTXLOGLSILBBNR-JKSUJKDBSA-N 2 2 299.459 0.750 20 0 CCADLP C[NH+](C)CCC[C@@H]1C[N@H+](CC(=O)NCC2CC2)CCO1 ZINC000662321819 414710066 /nfs/dbraw/zinc/71/00/66/414710066.db2.gz JVFNZTJUPHAUEZ-CQSZACIVSA-N 2 2 283.416 0.555 20 0 CCADLP C[NH+](C)CCC[C@@H]1C[N@@H+](CC(=O)NCC2CC2)CCO1 ZINC000662321819 414710067 /nfs/dbraw/zinc/71/00/67/414710067.db2.gz JVFNZTJUPHAUEZ-CQSZACIVSA-N 2 2 283.416 0.555 20 0 CCADLP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H]2CC[NH2+]C2)CCO1 ZINC000662327302 414710322 /nfs/dbraw/zinc/71/03/22/414710322.db2.gz MOAVDBVTTYVZGF-UONOGXRCSA-N 3 2 255.406 0.639 20 0 CCADLP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)CCO1 ZINC000662327302 414710323 /nfs/dbraw/zinc/71/03/23/414710323.db2.gz MOAVDBVTTYVZGF-UONOGXRCSA-N 3 2 255.406 0.639 20 0 CCADLP CCOc1ccc(N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)nn1 ZINC000662327468 414710326 /nfs/dbraw/zinc/71/03/26/414710326.db2.gz OWWVDEKQOBMKBO-CYBMUJFWSA-N 2 2 291.399 0.607 20 0 CCADLP C(C[N@@H+]1CC[C@H]2COC[C@@H]2C1)[NH+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662030613 414687535 /nfs/dbraw/zinc/68/75/35/414687535.db2.gz ANFFXMXUPZTFPX-FZKCQIBNSA-N 2 2 280.412 0.923 20 0 CCADLP C(C[N@H+]1CC[C@H]2COC[C@@H]2C1)[NH+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662030613 414687536 /nfs/dbraw/zinc/68/75/36/414687536.db2.gz ANFFXMXUPZTFPX-FZKCQIBNSA-N 2 2 280.412 0.923 20 0 CCADLP C(C[N@@H+]1CC[C@@H]2COC[C@@H]2C1)[NH+]1CC[C@H]2COC[C@@H]2C1 ZINC000662030613 414687537 /nfs/dbraw/zinc/68/75/37/414687537.db2.gz ANFFXMXUPZTFPX-FZKCQIBNSA-N 2 2 280.412 0.923 20 0 CCADLP C(C[N@H+]1CC[C@@H]2COC[C@@H]2C1)[NH+]1CC[C@H]2COC[C@@H]2C1 ZINC000662030613 414687538 /nfs/dbraw/zinc/68/75/38/414687538.db2.gz ANFFXMXUPZTFPX-FZKCQIBNSA-N 2 2 280.412 0.923 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+](C)CC(=O)N1CCCC1 ZINC000662040054 414688330 /nfs/dbraw/zinc/68/83/30/414688330.db2.gz ZATMYGWRIGNKPY-UHFFFAOYSA-N 2 2 250.346 0.517 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+](C)CC(=O)N1CCCC1 ZINC000662040054 414688331 /nfs/dbraw/zinc/68/83/31/414688331.db2.gz ZATMYGWRIGNKPY-UHFFFAOYSA-N 2 2 250.346 0.517 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662335955 414711028 /nfs/dbraw/zinc/71/10/28/414711028.db2.gz BJAGANUIOQISME-STQMWFEESA-N 3 2 292.431 0.346 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662335955 414711029 /nfs/dbraw/zinc/71/10/29/414711029.db2.gz BJAGANUIOQISME-STQMWFEESA-N 3 2 292.431 0.346 20 0 CCADLP O[C@@H]1CC[N@@H+](C2CC[NH+](CCOCC(F)F)CC2)C1 ZINC000662150867 414693390 /nfs/dbraw/zinc/69/33/90/414693390.db2.gz BWNSUYOQRAULAO-GFCCVEGCSA-N 2 2 278.343 0.799 20 0 CCADLP O[C@@H]1CC[N@H+](C2CC[NH+](CCOCC(F)F)CC2)C1 ZINC000662150867 414693391 /nfs/dbraw/zinc/69/33/91/414693391.db2.gz BWNSUYOQRAULAO-GFCCVEGCSA-N 2 2 278.343 0.799 20 0 CCADLP C[C@H]([NH3+])[C@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000662246788 414699450 /nfs/dbraw/zinc/69/94/50/414699450.db2.gz CTEJHWFZAAIBTR-BLLLJJGKSA-N 3 2 275.396 0.880 20 0 CCADLP C[C@H]([NH3+])[C@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000662246788 414699451 /nfs/dbraw/zinc/69/94/51/414699451.db2.gz CTEJHWFZAAIBTR-BLLLJJGKSA-N 3 2 275.396 0.880 20 0 CCADLP CCCC(=O)NC[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662255668 414700414 /nfs/dbraw/zinc/70/04/14/414700414.db2.gz ZYPWGESHPFKJTF-KGLIPLIRSA-N 2 2 283.416 0.603 20 0 CCADLP CCCC(=O)NC[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662255668 414700415 /nfs/dbraw/zinc/70/04/15/414700415.db2.gz ZYPWGESHPFKJTF-KGLIPLIRSA-N 2 2 283.416 0.603 20 0 CCADLP C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662255422 414700639 /nfs/dbraw/zinc/70/06/39/414700639.db2.gz YOYILRKQTNCWPL-LLVKDONJSA-N 2 2 259.353 0.653 20 0 CCADLP C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662255422 414700640 /nfs/dbraw/zinc/70/06/40/414700640.db2.gz YOYILRKQTNCWPL-LLVKDONJSA-N 2 2 259.353 0.653 20 0 CCADLP CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662256083 414700906 /nfs/dbraw/zinc/70/09/06/414700906.db2.gz FTDOLPFMHWQGTK-SOUVJXGZSA-N 2 2 297.443 0.992 20 0 CCADLP CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662256083 414700907 /nfs/dbraw/zinc/70/09/07/414700907.db2.gz FTDOLPFMHWQGTK-SOUVJXGZSA-N 2 2 297.443 0.992 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)NCC(F)(F)C[NH3+])ccn12 ZINC000662766278 414775807 /nfs/dbraw/zinc/77/58/07/414775807.db2.gz HTSKTMILHFTOEM-UHFFFAOYSA-N 2 2 268.267 0.967 20 0 CCADLP CC(C)OC[C@H]([NH3+])C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000662427622 414717367 /nfs/dbraw/zinc/71/73/67/414717367.db2.gz SLNDOBJUIPJJPX-LBPRGKRZSA-N 2 2 280.372 0.868 20 0 CCADLP O=C(NCc1[nH]cc[nH+]1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662455966 414720177 /nfs/dbraw/zinc/72/01/77/414720177.db2.gz GIDOVAHILAJTAH-UHFFFAOYSA-N 2 2 275.312 0.795 20 0 CCADLP C[NH2+][C@@H](C)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000662529660 414725806 /nfs/dbraw/zinc/72/58/06/414725806.db2.gz FOGGKXPPBMCESC-XQQFMLRXSA-N 2 2 269.389 0.354 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)Nc1ccc(-c2n[nH]c(C[NH3+])n2)cc1 ZINC000662558287 414728368 /nfs/dbraw/zinc/72/83/68/414728368.db2.gz UHKQKEIGHAQGMS-LLVKDONJSA-N 2 2 288.355 0.867 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000662636490 414736220 /nfs/dbraw/zinc/73/62/20/414736220.db2.gz YVCWRCIIXPFZGW-DDHJBXDOSA-N 2 2 257.378 0.195 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000662636490 414736221 /nfs/dbraw/zinc/73/62/21/414736221.db2.gz YVCWRCIIXPFZGW-DDHJBXDOSA-N 2 2 257.378 0.195 20 0 CCADLP C[C@H]1C[C@@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC[NH2+]1 ZINC000662656702 414737471 /nfs/dbraw/zinc/73/74/71/414737471.db2.gz RUAMOUYDQZPWCV-MELADBBJSA-N 2 2 281.400 0.308 20 0 CCADLP COc1ccc2c(c1)CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C2 ZINC000662688316 414741646 /nfs/dbraw/zinc/74/16/46/414741646.db2.gz KPVOJUKYITZDOF-HNNXBMFYSA-N 2 2 291.395 0.859 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@H]1[NH2+]CCC1(C)C)[NH+]1CCOCC1 ZINC000662720465 414746160 /nfs/dbraw/zinc/74/61/60/414746160.db2.gz DUFAKOSPYPWYDG-YNEHKIRRSA-N 2 2 283.416 0.600 20 0 CCADLP CC(C)NC(=O)[C@H]1CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000662732801 414748001 /nfs/dbraw/zinc/74/80/01/414748001.db2.gz ABRWAOXXCCWNSM-QWHCGFSZSA-N 2 2 298.431 0.029 20 0 CCADLP CO[C@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)C1CCCCC1 ZINC000662733272 414748084 /nfs/dbraw/zinc/74/80/84/414748084.db2.gz IYZZPXZDKCMWOS-ZIAGYGMSSA-N 2 2 285.432 0.977 20 0 CCADLP [NH3+][C@H]1C[C@H](C(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000662786310 414792409 /nfs/dbraw/zinc/79/24/09/414792409.db2.gz RKZBVJUXNWOXHA-HDJSIYSDSA-N 2 2 274.368 0.463 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C2([NH3+])CC3(CCC3)C2)[C@H](C)CO1 ZINC000662858670 414848245 /nfs/dbraw/zinc/84/82/45/414848245.db2.gz HIWZMAMHGVNLEU-CHWSQXEVSA-N 2 2 295.427 0.873 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2([NH3+])CC3(CCC3)C2)[C@H](C)CO1 ZINC000662858670 414848249 /nfs/dbraw/zinc/84/82/49/414848249.db2.gz HIWZMAMHGVNLEU-CHWSQXEVSA-N 2 2 295.427 0.873 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000662858345 414849929 /nfs/dbraw/zinc/84/99/29/414849929.db2.gz GKKRDRSEWPREQC-STQMWFEESA-N 2 2 285.432 0.977 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000662858345 414849932 /nfs/dbraw/zinc/84/99/32/414849932.db2.gz GKKRDRSEWPREQC-STQMWFEESA-N 2 2 285.432 0.977 20 0 CCADLP C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@@H]1CCC[NH3+] ZINC000662891981 414873132 /nfs/dbraw/zinc/87/31/32/414873132.db2.gz AHXBFPIGGWLSHH-HZSPNIEDSA-N 3 2 284.448 0.631 20 0 CCADLP CC(C)[NH2+]CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662901002 414879130 /nfs/dbraw/zinc/87/91/30/414879130.db2.gz RJLIDAPCSZHGLL-OAHLLOKOSA-N 3 2 296.459 0.611 20 0 CCADLP CC(C)[NH2+]CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662901002 414879136 /nfs/dbraw/zinc/87/91/36/414879136.db2.gz RJLIDAPCSZHGLL-OAHLLOKOSA-N 3 2 296.459 0.611 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000662900925 414879473 /nfs/dbraw/zinc/87/94/73/414879473.db2.gz USCZDEHBLDZBNI-GMTAPVOTSA-N 2 2 266.345 0.457 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)COC1(C)C[NH2+]C1 ZINC000662898980 414880851 /nfs/dbraw/zinc/88/08/51/414880851.db2.gz BVBIDCOMZCZHCR-SNVBAGLBSA-N 2 2 266.345 0.459 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)C[C@@H](C[NH3+])OC ZINC000662901290 414882417 /nfs/dbraw/zinc/88/24/17/414882417.db2.gz XYFJHZJZQMIMRG-ZJUUUORDSA-N 2 2 254.334 0.444 20 0 CCADLP C[C@H](NC(=O)[C@H]1[NH2+]CCC1(C)C)c1[nH+]ccn1C ZINC000662932713 414902476 /nfs/dbraw/zinc/90/24/76/414902476.db2.gz CYKMCPVZNVZAJX-VHSXEESVSA-N 2 2 250.346 0.985 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C[C@](C)(C(F)F)O1 ZINC000663005482 414946326 /nfs/dbraw/zinc/94/63/26/414946326.db2.gz PFEZQDAYZFRJHA-GBIKHYSHSA-N 2 2 293.358 0.537 20 0 CCADLP C[C@@H](NC(=O)NCCC[NH+](C)C)c1[nH+]ccn1C ZINC000663409210 415058879 /nfs/dbraw/zinc/05/88/79/415058879.db2.gz KKNGKTCMCJIHKW-SNVBAGLBSA-N 2 2 253.350 0.732 20 0 CCADLP Cc1n[nH]cc1CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000663689791 415112313 /nfs/dbraw/zinc/11/23/13/415112313.db2.gz PKZNCUMEWALGDV-UHFFFAOYSA-N 2 2 296.419 0.401 20 0 CCADLP Cc1n[nH]cc1CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000663689791 415112318 /nfs/dbraw/zinc/11/23/18/415112318.db2.gz PKZNCUMEWALGDV-UHFFFAOYSA-N 2 2 296.419 0.401 20 0 CCADLP C[NH+](C)CC1CN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000663949422 415183878 /nfs/dbraw/zinc/18/38/78/415183878.db2.gz BFNCYPHBAQQVPU-UHFFFAOYSA-N 2 2 258.329 0.660 20 0 CCADLP Cc1cc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)[nH]n1 ZINC000664175918 415266016 /nfs/dbraw/zinc/26/60/16/415266016.db2.gz CGJYGEHVYWRCFT-UHFFFAOYSA-N 2 2 296.419 0.401 20 0 CCADLP Cc1cc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)[nH]n1 ZINC000664175918 415266022 /nfs/dbraw/zinc/26/60/22/415266022.db2.gz CGJYGEHVYWRCFT-UHFFFAOYSA-N 2 2 296.419 0.401 20 0 CCADLP Cc1cc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)n[nH]1 ZINC000664175918 415266027 /nfs/dbraw/zinc/26/60/27/415266027.db2.gz CGJYGEHVYWRCFT-UHFFFAOYSA-N 2 2 296.419 0.401 20 0 CCADLP Cc1cc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)n[nH]1 ZINC000664175918 415266032 /nfs/dbraw/zinc/26/60/32/415266032.db2.gz CGJYGEHVYWRCFT-UHFFFAOYSA-N 2 2 296.419 0.401 20 0 CCADLP Cc1nnc(NCC[N@@H+](C)CCC[NH+](C)C)nc1C ZINC000664247996 415299459 /nfs/dbraw/zinc/29/94/59/415299459.db2.gz LTCLXKNNVKGGOQ-UHFFFAOYSA-N 2 2 266.393 0.784 20 0 CCADLP Cc1nnc(NCC[N@H+](C)CCC[NH+](C)C)nc1C ZINC000664247996 415299464 /nfs/dbraw/zinc/29/94/64/415299464.db2.gz LTCLXKNNVKGGOQ-UHFFFAOYSA-N 2 2 266.393 0.784 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCN=c1ncnc2[nH][nH]cc1-2 ZINC000664248172 415299661 /nfs/dbraw/zinc/29/96/61/415299661.db2.gz XIUSYOIORHNRLM-UHFFFAOYSA-N 2 2 277.376 0.022 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCN=c1ncnc2[nH][nH]cc1-2 ZINC000664248172 415299667 /nfs/dbraw/zinc/29/96/67/415299667.db2.gz XIUSYOIORHNRLM-UHFFFAOYSA-N 2 2 277.376 0.022 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000665275857 415586404 /nfs/dbraw/zinc/58/64/04/415586404.db2.gz UHMHYOGYZCLTHT-VNQPRFMTSA-N 3 2 297.443 0.596 20 0 CCADLP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665294585 415589139 /nfs/dbraw/zinc/58/91/39/415589139.db2.gz RIUJSAMPMWLRED-GXSJLCMTSA-N 3 2 265.361 0.119 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)[C@@H]2CCC[C@@H]21 ZINC000665292652 415591628 /nfs/dbraw/zinc/59/16/28/415591628.db2.gz GRGSHGPFVCZQQA-AVGNSLFASA-N 3 2 291.399 0.603 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)[C@@H]2CCC[C@@H]21 ZINC000665292652 415591634 /nfs/dbraw/zinc/59/16/34/415591634.db2.gz GRGSHGPFVCZQQA-AVGNSLFASA-N 3 2 291.399 0.603 20 0 CCADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000665295771 415591710 /nfs/dbraw/zinc/59/17/10/415591710.db2.gz ITUWLTNNNQDQDE-GHMZBOCLSA-N 2 2 260.345 0.921 20 0 CCADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)C[NH2+]C)cc1 ZINC000665293872 415592186 /nfs/dbraw/zinc/59/21/86/415592186.db2.gz DUOHUZYWMMHGRP-GHMZBOCLSA-N 2 2 285.413 0.853 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)[C@H]2CCC[C@@H]21 ZINC000665292651 415592476 /nfs/dbraw/zinc/59/24/76/415592476.db2.gz GRGSHGPFVCZQQA-AGIUHOORSA-N 3 2 291.399 0.603 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)[C@H]2CCC[C@@H]21 ZINC000665292651 415592480 /nfs/dbraw/zinc/59/24/80/415592480.db2.gz GRGSHGPFVCZQQA-AGIUHOORSA-N 3 2 291.399 0.603 20 0 CCADLP NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)o1 ZINC000088539219 544508290 /nfs/dbraw/zinc/50/82/90/544508290.db2.gz KLNXCHGEAPYPHN-JTQLQIEISA-N 2 2 299.396 0.501 20 0 CCADLP NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)o1 ZINC000088539219 544508292 /nfs/dbraw/zinc/50/82/92/544508292.db2.gz KLNXCHGEAPYPHN-JTQLQIEISA-N 2 2 299.396 0.501 20 0 CCADLP CCCn1nccc1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000227933575 544839993 /nfs/dbraw/zinc/83/99/93/544839993.db2.gz CINILQOBDWYPTC-ZDUSSCGKSA-N 2 2 254.378 0.695 20 0 CCADLP C[N@H+](C[C@@H](O)COCc1ccccc1)C[C@H]1C[NH2+]CCO1 ZINC000250489938 544923332 /nfs/dbraw/zinc/92/33/32/544923332.db2.gz XSXCFWFCPCXPFA-HZPDHXFCSA-N 2 2 294.395 0.484 20 0 CCADLP C[N@@H+](C[C@@H](O)COCc1ccccc1)C[C@H]1C[NH2+]CCO1 ZINC000250489938 544923336 /nfs/dbraw/zinc/92/33/36/544923336.db2.gz XSXCFWFCPCXPFA-HZPDHXFCSA-N 2 2 294.395 0.484 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1C[C@@H](c2nnc[nH]2)C[C@@H]1O ZINC000527568566 269820832 /nfs/dbraw/zinc/82/08/32/269820832.db2.gz JSTBUAVTOBRPGB-BNDIWNMDSA-N 2 2 279.388 0.199 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1C[C@@H](c2nnc[nH]2)C[C@@H]1O ZINC000527568566 269820834 /nfs/dbraw/zinc/82/08/34/269820834.db2.gz JSTBUAVTOBRPGB-BNDIWNMDSA-N 2 2 279.388 0.199 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000521431472 262332709 /nfs/dbraw/zinc/33/27/09/262332709.db2.gz WWGATQCMRUJIQW-ZJUUUORDSA-N 2 2 252.318 0.437 20 0 CCADLP CCOC(C)(C)CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000519120156 265326651 /nfs/dbraw/zinc/32/66/51/265326651.db2.gz UWJZUKLNCVKROZ-LLVKDONJSA-N 2 2 272.393 0.086 20 0 CCADLP CCOC(C)(C)CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000519120156 265326653 /nfs/dbraw/zinc/32/66/53/265326653.db2.gz UWJZUKLNCVKROZ-LLVKDONJSA-N 2 2 272.393 0.086 20 0 CCADLP C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000522138392 265399951 /nfs/dbraw/zinc/39/99/51/265399951.db2.gz BCYQVHGZCRCBMH-AVGNSLFASA-N 2 2 269.389 0.164 20 0 CCADLP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000522138392 265399955 /nfs/dbraw/zinc/39/99/55/265399955.db2.gz BCYQVHGZCRCBMH-AVGNSLFASA-N 2 2 269.389 0.164 20 0 CCADLP Cc1nc(N2CC[NH+](C3CCC3)CC2)nc(N(C)C)[nH+]1 ZINC000488429014 274840254 /nfs/dbraw/zinc/84/02/54/274840254.db2.gz IHBWFRXJBSTVLW-UHFFFAOYSA-N 2 2 276.388 0.921 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424196680 276016550 /nfs/dbraw/zinc/01/65/50/276016550.db2.gz VNFMXPXNTBNXIV-UWVGGRQHSA-N 2 2 263.332 0.578 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cocn3)C2)CC1 ZINC000432743076 276201652 /nfs/dbraw/zinc/20/16/52/276201652.db2.gz WXBCJVLRDRJVPI-AWEZNQCLSA-N 2 2 264.373 0.886 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cocn3)C2)CC1 ZINC000432743076 276201654 /nfs/dbraw/zinc/20/16/54/276201654.db2.gz WXBCJVLRDRJVPI-AWEZNQCLSA-N 2 2 264.373 0.886 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)NCC[NH+](C)C(C)C ZINC000342384341 276204335 /nfs/dbraw/zinc/20/43/35/276204335.db2.gz VSHMJQKEVKCGRI-GFCCVEGCSA-N 2 2 257.378 0.164 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)NCC[NH+](C)C(C)C ZINC000342384341 276204336 /nfs/dbraw/zinc/20/43/36/276204336.db2.gz VSHMJQKEVKCGRI-GFCCVEGCSA-N 2 2 257.378 0.164 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)NCC[N@H+](C)C(C)C ZINC000342384341 276204338 /nfs/dbraw/zinc/20/43/38/276204338.db2.gz VSHMJQKEVKCGRI-GFCCVEGCSA-N 2 2 257.378 0.164 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)NCC[N@@H+](C)C(C)C ZINC000342384341 276204339 /nfs/dbraw/zinc/20/43/39/276204339.db2.gz VSHMJQKEVKCGRI-GFCCVEGCSA-N 2 2 257.378 0.164 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CCN(C)C(=O)C2)C1 ZINC000424185756 276251634 /nfs/dbraw/zinc/25/16/34/276251634.db2.gz HIAOWKSPUZIMAN-RWMBFGLXSA-N 2 2 253.390 0.785 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CCN(C)C(=O)C2)C1 ZINC000424185756 276251636 /nfs/dbraw/zinc/25/16/36/276251636.db2.gz HIAOWKSPUZIMAN-RWMBFGLXSA-N 2 2 253.390 0.785 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377195025 276279806 /nfs/dbraw/zinc/27/98/06/276279806.db2.gz CKWNXLJKWSPDEW-CZUORRHYSA-N 3 2 296.459 0.789 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377195025 276279807 /nfs/dbraw/zinc/27/98/07/276279807.db2.gz CKWNXLJKWSPDEW-CZUORRHYSA-N 3 2 296.459 0.789 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000362710485 276323022 /nfs/dbraw/zinc/32/30/22/276323022.db2.gz JWTCLUJMFKFXIY-AWEZNQCLSA-N 3 2 296.459 0.613 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000362710485 276323024 /nfs/dbraw/zinc/32/30/24/276323024.db2.gz JWTCLUJMFKFXIY-AWEZNQCLSA-N 3 2 296.459 0.613 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3(O)CCCC3)C2)CC1 ZINC000369256534 277027434 /nfs/dbraw/zinc/02/74/34/277027434.db2.gz PJACFQDELVOLFC-CYBMUJFWSA-N 2 2 295.427 0.576 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3(O)CCCC3)C2)CC1 ZINC000369256534 277027435 /nfs/dbraw/zinc/02/74/35/277027435.db2.gz PJACFQDELVOLFC-CYBMUJFWSA-N 2 2 295.427 0.576 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCCO3)C2)CC1 ZINC000378096810 277028194 /nfs/dbraw/zinc/02/81/94/277028194.db2.gz SDCDCWKNGWLETN-LBPRGKRZSA-N 2 2 282.388 0.502 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCCO3)C2)CC1 ZINC000378096810 277028196 /nfs/dbraw/zinc/02/81/96/277028196.db2.gz SDCDCWKNGWLETN-LBPRGKRZSA-N 2 2 282.388 0.502 20 0 CCADLP CC(=O)[C@](C)(O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000450505138 277101132 /nfs/dbraw/zinc/10/11/32/277101132.db2.gz XUNRHEIPFVGEQG-HZSPNIEDSA-N 2 2 254.374 0.743 20 0 CCADLP CC(=O)[C@](C)(O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000450505138 277101135 /nfs/dbraw/zinc/10/11/35/277101135.db2.gz XUNRHEIPFVGEQG-HZSPNIEDSA-N 2 2 254.374 0.743 20 0 CCADLP CC(=O)[C@](C)(O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000450505138 277101137 /nfs/dbraw/zinc/10/11/37/277101137.db2.gz XUNRHEIPFVGEQG-HZSPNIEDSA-N 2 2 254.374 0.743 20 0 CCADLP CC(=O)[C@](C)(O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000450505138 277101139 /nfs/dbraw/zinc/10/11/39/277101139.db2.gz XUNRHEIPFVGEQG-HZSPNIEDSA-N 2 2 254.374 0.743 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1CCCn1cc[nH+]c1 ZINC000182779254 277105082 /nfs/dbraw/zinc/10/50/82/277105082.db2.gz BFNCLACCSODTOX-NEPJUHHUSA-N 2 2 267.329 0.536 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000182779254 277105083 /nfs/dbraw/zinc/10/50/83/277105083.db2.gz BFNCLACCSODTOX-NEPJUHHUSA-N 2 2 267.329 0.536 20 0 CCADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000374370034 277119503 /nfs/dbraw/zinc/11/95/03/277119503.db2.gz ZXIPAEGWTHSUKL-LSDHHAIUSA-N 2 2 289.379 0.620 20 0 CCADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000374370034 277119504 /nfs/dbraw/zinc/11/95/04/277119504.db2.gz ZXIPAEGWTHSUKL-LSDHHAIUSA-N 2 2 289.379 0.620 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)C1 ZINC000374370034 277119505 /nfs/dbraw/zinc/11/95/05/277119505.db2.gz ZXIPAEGWTHSUKL-LSDHHAIUSA-N 2 2 289.379 0.620 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)C1 ZINC000374370034 277119506 /nfs/dbraw/zinc/11/95/06/277119506.db2.gz ZXIPAEGWTHSUKL-LSDHHAIUSA-N 2 2 289.379 0.620 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2c[nH]nc2C(C)(C)C)C1 ZINC000358172740 277183725 /nfs/dbraw/zinc/18/37/25/277183725.db2.gz UPSBTNXCBCNKKN-AWEZNQCLSA-N 2 2 266.389 0.863 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2c[nH]nc2C(C)(C)C)C1 ZINC000358172740 277183726 /nfs/dbraw/zinc/18/37/26/277183726.db2.gz UPSBTNXCBCNKKN-AWEZNQCLSA-N 2 2 266.389 0.863 20 0 CCADLP CNC(=O)C[C@H](C)[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000361653522 277232637 /nfs/dbraw/zinc/23/26/37/277232637.db2.gz IVRXCYCEQHNECC-WDEREUQCSA-N 2 2 250.346 0.875 20 0 CCADLP CC(C)(O)C[NH+]1CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000413119574 277316876 /nfs/dbraw/zinc/31/68/76/277316876.db2.gz YEOYQWRHQAQJLY-UHFFFAOYSA-N 2 2 291.399 0.944 20 0 CCADLP COc1cc(C)c(C[NH2+]C[C@H]2C[NH2+]CCN2C)c(C)n1 ZINC000414965704 277372446 /nfs/dbraw/zinc/37/24/46/277372446.db2.gz NRAZTLZDUYWWRI-CYBMUJFWSA-N 2 2 278.400 0.700 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C[C@H]1[NH+]1CCOCC1 ZINC000246275913 287968391 /nfs/dbraw/zinc/96/83/91/287968391.db2.gz MEIMDWNRTSJART-KBUPBQIOSA-N 2 2 295.427 0.683 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000433116867 277888683 /nfs/dbraw/zinc/88/86/83/277888683.db2.gz MDMBUSNSRWGEAD-UPJWGTAASA-N 2 2 271.405 0.443 20 0 CCADLP C[C@@]1(C[NH3+])CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000423604524 278121786 /nfs/dbraw/zinc/12/17/86/278121786.db2.gz GGOVWRXQDOGNQP-ZBFHGGJFSA-N 2 2 295.427 0.685 20 0 CCADLP C[C@@]1(C[NH3+])CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000423604524 278121787 /nfs/dbraw/zinc/12/17/87/278121787.db2.gz GGOVWRXQDOGNQP-ZBFHGGJFSA-N 2 2 295.427 0.685 20 0 CCADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000423038212 278216411 /nfs/dbraw/zinc/21/64/11/278216411.db2.gz NZHCAMYGCNDZRA-QLFBSQMISA-N 3 2 269.433 0.953 20 0 CCADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000423038212 278216412 /nfs/dbraw/zinc/21/64/12/278216412.db2.gz NZHCAMYGCNDZRA-QLFBSQMISA-N 3 2 269.433 0.953 20 0 CCADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)NC(=O)NC1CC1 ZINC000424332046 278270831 /nfs/dbraw/zinc/27/08/31/278270831.db2.gz KKQIXRDPOUFNLX-JMJZKYOTSA-N 2 2 268.361 0.223 20 0 CCADLP C[C@H]([NH2+][C@H]1CC(=O)N([C@H]2C[C@H]2C)C1)[C@H]1CCC[NH2+]1 ZINC000422918353 278280058 /nfs/dbraw/zinc/28/00/58/278280058.db2.gz HCTOJCCKQSKMFW-SJHCENCUSA-N 2 2 251.374 0.726 20 0 CCADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCn2c[nH+]cc2C1 ZINC000335368238 278309515 /nfs/dbraw/zinc/30/95/15/278309515.db2.gz UGUCHWLSJZTOAU-ZJUUUORDSA-N 2 2 251.334 0.534 20 0 CCADLP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)[C@H](C)N1CCOCC1 ZINC000414326878 278359674 /nfs/dbraw/zinc/35/96/74/278359674.db2.gz FQDMWCCFXUOGTF-OLZOCXBDSA-N 2 2 295.431 0.685 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261874981 278364755 /nfs/dbraw/zinc/36/47/55/278364755.db2.gz ZMFSBOKHKBOPAY-MNOVXSKESA-N 2 2 282.388 0.295 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261874981 278364757 /nfs/dbraw/zinc/36/47/57/278364757.db2.gz ZMFSBOKHKBOPAY-MNOVXSKESA-N 2 2 282.388 0.295 20 0 CCADLP C[C@]1(C[NH+]2CCN(c3ncccn3)CC2)CC[NH2+]C1 ZINC000062910857 278560376 /nfs/dbraw/zinc/56/03/76/278560376.db2.gz ZQRPGBPFFMLRAF-AWEZNQCLSA-N 2 2 261.373 0.598 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000449116405 278843944 /nfs/dbraw/zinc/84/39/44/278843944.db2.gz LFMPYKBPFBQUDE-XQQFMLRXSA-N 2 2 271.405 0.600 20 0 CCADLP CCN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371301015 279017906 /nfs/dbraw/zinc/01/79/06/279017906.db2.gz SBQVIWURRCZDGO-HZSPNIEDSA-N 2 2 283.416 0.648 20 0 CCADLP CCN(C)C(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371301015 279017907 /nfs/dbraw/zinc/01/79/07/279017907.db2.gz SBQVIWURRCZDGO-HZSPNIEDSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425338783 279110790 /nfs/dbraw/zinc/11/07/90/279110790.db2.gz QFXGSIZBDVVQNE-MNOVXSKESA-N 2 2 252.362 0.689 20 0 CCADLP C[C@@H]1[C@H](CO)CC[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425338783 279110792 /nfs/dbraw/zinc/11/07/92/279110792.db2.gz QFXGSIZBDVVQNE-MNOVXSKESA-N 2 2 252.362 0.689 20 0 CCADLP CC(C)[C@H](C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)[C@@H](C)[NH3+] ZINC000423423362 280149910 /nfs/dbraw/zinc/14/99/10/280149910.db2.gz CCQXAKHILSMGGG-NEPJUHHUSA-N 2 2 298.431 0.014 20 0 CCADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1c[nH+]c(N(C)C)n1C ZINC000425373250 288222208 /nfs/dbraw/zinc/22/22/08/288222208.db2.gz VAWRWGDBLKJRNE-CHWSQXEVSA-N 2 2 295.431 0.373 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1Cc1c[nH+]c(N(C)C)n1C ZINC000425373250 288222212 /nfs/dbraw/zinc/22/22/12/288222212.db2.gz VAWRWGDBLKJRNE-CHWSQXEVSA-N 2 2 295.431 0.373 20 0 CCADLP C[C@@H]1C[N@@H+]([C@H]2CCCN(c3cnn(C)c3)C2=O)CC[C@@H]1[NH3+] ZINC000430956472 288252961 /nfs/dbraw/zinc/25/29/61/288252961.db2.gz OTPGMFLZDFWWKE-XBFCOCLRSA-N 2 2 291.399 0.585 20 0 CCADLP C[C@@H]1C[N@H+]([C@H]2CCCN(c3cnn(C)c3)C2=O)CC[C@@H]1[NH3+] ZINC000430956472 288252963 /nfs/dbraw/zinc/25/29/63/288252963.db2.gz OTPGMFLZDFWWKE-XBFCOCLRSA-N 2 2 291.399 0.585 20 0 CCADLP CC[C@]1(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)CCC[NH2+]1 ZINC000248714684 288426307 /nfs/dbraw/zinc/42/63/07/288426307.db2.gz KIOOLGQDKNPDCI-IJEWVQPXSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1CC[N@@H+]1CCCOCC1 ZINC000361382827 289048283 /nfs/dbraw/zinc/04/82/83/289048283.db2.gz XQVKYGBCLFBIJA-HZPDHXFCSA-N 2 2 297.443 0.504 20 0 CCADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1CC[N@H+]1CCCOCC1 ZINC000361382827 289048284 /nfs/dbraw/zinc/04/82/84/289048284.db2.gz XQVKYGBCLFBIJA-HZPDHXFCSA-N 2 2 297.443 0.504 20 0 CCADLP C[C@@]1(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC[NH2+]C1 ZINC000261917391 289164694 /nfs/dbraw/zinc/16/46/94/289164694.db2.gz ZTTPVRNFOIKYDE-UKRRQHHQSA-N 2 2 281.400 0.309 20 0 CCADLP C[C@H](C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)[NH+]1CCOCC1 ZINC000342718767 289313326 /nfs/dbraw/zinc/31/33/26/289313326.db2.gz GTZMLJCBDUZDKN-RFGFWPKPSA-N 2 2 281.400 0.293 20 0 CCADLP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000175513841 289376391 /nfs/dbraw/zinc/37/63/91/289376391.db2.gz CHWHONMAYQAOMJ-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP [NH3+]CCC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000237861297 295226171 /nfs/dbraw/zinc/22/61/71/295226171.db2.gz RENFFTVTAFZWLB-CQSZACIVSA-N 2 2 277.368 0.525 20 0 CCADLP [NH3+][C@H]1CCc2ncc(NC(=O)[C@@H]3CC(F)(F)C[NH2+]3)cc2C1 ZINC000360834151 295342514 /nfs/dbraw/zinc/34/25/14/295342514.db2.gz OVPUXPVELQETLE-CABZTGNLSA-N 2 2 296.321 0.833 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCSC[C@H]1CO ZINC000388102138 545086185 /nfs/dbraw/zinc/08/61/85/545086185.db2.gz VMIDKDTZOVTNOB-NEPJUHHUSA-N 2 2 262.419 0.097 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCSC[C@H]1CO ZINC000388102138 545086186 /nfs/dbraw/zinc/08/61/86/545086186.db2.gz VMIDKDTZOVTNOB-NEPJUHHUSA-N 2 2 262.419 0.097 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCSC[C@H]1CO ZINC000388102138 545086187 /nfs/dbraw/zinc/08/61/87/545086187.db2.gz VMIDKDTZOVTNOB-NEPJUHHUSA-N 2 2 262.419 0.097 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCSC[C@H]1CO ZINC000388102138 545086188 /nfs/dbraw/zinc/08/61/88/545086188.db2.gz VMIDKDTZOVTNOB-NEPJUHHUSA-N 2 2 262.419 0.097 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@](C)(CO)c1ccccc1 ZINC000388620333 545086593 /nfs/dbraw/zinc/08/65/93/545086593.db2.gz STLBUHBLUYNLTC-LSDHHAIUSA-N 2 2 266.385 0.796 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@](C)(CO)c1ccccc1 ZINC000388620333 545086594 /nfs/dbraw/zinc/08/65/94/545086594.db2.gz STLBUHBLUYNLTC-LSDHHAIUSA-N 2 2 266.385 0.796 20 0 CCADLP C[C@H](C(=O)N1CCC[N@H+](C)CC1)[NH+]1CCSCC1 ZINC000336404066 298026137 /nfs/dbraw/zinc/02/61/37/298026137.db2.gz VHRWSZARLJDRGD-GFCCVEGCSA-N 2 2 271.430 0.588 20 0 CCADLP C[C@H](C(=O)N1CCC[N@@H+](C)CC1)[NH+]1CCSCC1 ZINC000336404066 298026139 /nfs/dbraw/zinc/02/61/39/298026139.db2.gz VHRWSZARLJDRGD-GFCCVEGCSA-N 2 2 271.430 0.588 20 0 CCADLP C[C@H](C(=O)N1CCCc2ccccc21)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420349789 298045399 /nfs/dbraw/zinc/04/53/99/298045399.db2.gz DUFHLYRULCDCMV-OCCSQVGLSA-N 2 2 291.395 0.606 20 0 CCADLP C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420349789 298045402 /nfs/dbraw/zinc/04/54/02/298045402.db2.gz DUFHLYRULCDCMV-OCCSQVGLSA-N 2 2 291.395 0.606 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841585 298121963 /nfs/dbraw/zinc/12/19/63/298121963.db2.gz SYZQIUYECZBWFE-VXGBXAGGSA-N 2 2 296.415 0.637 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841585 298121964 /nfs/dbraw/zinc/12/19/64/298121964.db2.gz SYZQIUYECZBWFE-VXGBXAGGSA-N 2 2 296.415 0.637 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841585 298121965 /nfs/dbraw/zinc/12/19/65/298121965.db2.gz SYZQIUYECZBWFE-VXGBXAGGSA-N 2 2 296.415 0.637 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841585 298121967 /nfs/dbraw/zinc/12/19/67/298121967.db2.gz SYZQIUYECZBWFE-VXGBXAGGSA-N 2 2 296.415 0.637 20 0 CCADLP C[C@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)[NH+]1CCOCC1 ZINC000366180029 299033093 /nfs/dbraw/zinc/03/30/93/299033093.db2.gz IODNGGZFAHURAA-KBPBESRZSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000360328300 300220570 /nfs/dbraw/zinc/22/05/70/300220570.db2.gz FKQGUPCUFOFLGE-DZGCQCFKSA-N 3 2 269.433 0.763 20 0 CCADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000360328300 300220573 /nfs/dbraw/zinc/22/05/73/300220573.db2.gz FKQGUPCUFOFLGE-DZGCQCFKSA-N 3 2 269.433 0.763 20 0 CCADLP [NH3+]Cc1nc(-c2ccc(NC(=O)C3([NH3+])CC3)cc2)n[nH]1 ZINC000572843030 328118736 /nfs/dbraw/zinc/11/87/36/328118736.db2.gz HFESHBKVZNQOKF-UHFFFAOYSA-N 2 2 272.312 0.360 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCCC2CCOCC2)[C@H](C[NH3+])C1 ZINC000582724046 329130773 /nfs/dbraw/zinc/13/07/73/329130773.db2.gz ZVJDLGCEJDQMCR-CQSZACIVSA-N 2 2 283.416 0.685 20 0 CCADLP C[N@H+]1CCN(C(=O)CCCC2CCOCC2)[C@H](C[NH3+])C1 ZINC000582724046 329130775 /nfs/dbraw/zinc/13/07/75/329130775.db2.gz ZVJDLGCEJDQMCR-CQSZACIVSA-N 2 2 283.416 0.685 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)no1 ZINC000574982903 328234690 /nfs/dbraw/zinc/23/46/90/328234690.db2.gz PRZPQDGSZILKNR-JQWIXIFHSA-N 2 2 292.383 0.948 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)no1 ZINC000574982903 328234691 /nfs/dbraw/zinc/23/46/91/328234691.db2.gz PRZPQDGSZILKNR-JQWIXIFHSA-N 2 2 292.383 0.948 20 0 CCADLP Cc1cc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c(C)c[nH+]1 ZINC000584041150 326905242 /nfs/dbraw/zinc/90/52/42/326905242.db2.gz YLXZZAKIHUQQPR-YPMHNXCESA-N 2 2 260.341 0.946 20 0 CCADLP CS[C@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)C[C@@H]1[NH+](C)C ZINC000584182118 327061333 /nfs/dbraw/zinc/06/13/33/327061333.db2.gz RPMZUIMXEIIHFZ-RYUDHWBXSA-N 2 2 285.457 0.832 20 0 CCADLP Cc1cccnc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000577076777 327077163 /nfs/dbraw/zinc/07/71/63/327077163.db2.gz DNXOWMKSFHQTSU-NWDGAFQWSA-N 2 2 260.341 0.134 20 0 CCADLP Cc1cccnc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000577076777 327077165 /nfs/dbraw/zinc/07/71/65/327077165.db2.gz DNXOWMKSFHQTSU-NWDGAFQWSA-N 2 2 260.341 0.134 20 0 CCADLP Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H](O)C[NH+](C)C)cc1 ZINC000573090915 327091824 /nfs/dbraw/zinc/09/18/24/327091824.db2.gz OYWNQHRAMFOFKS-ZIAGYGMSSA-N 2 2 282.384 0.247 20 0 CCADLP CC[C@]1(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CCC[NH2+]1 ZINC000573092594 327092594 /nfs/dbraw/zinc/09/25/94/327092594.db2.gz CGMHSRWXCITRJW-TZMCWYRMSA-N 2 2 269.389 0.356 20 0 CCADLP CC[C@]1(C(=O)NCC[N@H+]2CCO[C@H](C)C2)CCC[NH2+]1 ZINC000573092594 327092595 /nfs/dbraw/zinc/09/25/95/327092595.db2.gz CGMHSRWXCITRJW-TZMCWYRMSA-N 2 2 269.389 0.356 20 0 CCADLP CCn1c(C)cc(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1C ZINC000583380060 327334348 /nfs/dbraw/zinc/33/43/48/327334348.db2.gz FQOHXZKEYIDHFD-ZDUSSCGKSA-N 2 2 278.400 0.840 20 0 CCADLP COCC[C@H](C)[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000583435756 327362456 /nfs/dbraw/zinc/36/24/56/327362456.db2.gz CNLZXKHFZZVJNX-DGAVXFQQSA-N 2 2 274.405 0.471 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCc2cnccn2)n1C ZINC000390004289 328964902 /nfs/dbraw/zinc/96/49/02/328964902.db2.gz LDWCPPYEQMSKPU-UHFFFAOYSA-N 2 2 260.345 0.608 20 0 CCADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000582426069 328986665 /nfs/dbraw/zinc/98/66/65/328986665.db2.gz YTRULAUGVRPXGB-INIZCTEOSA-N 2 2 293.411 0.788 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCC2=CCCC2)[C@H](C[NH3+])C1 ZINC000582476046 329094760 /nfs/dbraw/zinc/09/47/60/329094760.db2.gz HGOVSTSNKBLEFD-CYBMUJFWSA-N 2 2 266.389 0.771 20 0 CCADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000582485080 329096118 /nfs/dbraw/zinc/09/61/18/329096118.db2.gz BXKJKORNDFRLKB-VXGBXAGGSA-N 2 2 294.403 0.363 20 0 CCADLP CC[N@H+](CC[NH2+]CCC(=O)Nc1cc(C)on1)C1CC1 ZINC000582541211 329108975 /nfs/dbraw/zinc/10/89/75/329108975.db2.gz CVJOEUQVSWAMKL-UHFFFAOYSA-N 2 2 280.372 0.807 20 0 CCADLP CC[N@@H+](CC[NH2+]CCC(=O)Nc1cc(C)on1)C1CC1 ZINC000582541211 329108976 /nfs/dbraw/zinc/10/89/76/329108976.db2.gz CVJOEUQVSWAMKL-UHFFFAOYSA-N 2 2 280.372 0.807 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]CCOCC(F)F)C1CC1 ZINC000379864902 335106684 /nfs/dbraw/zinc/10/66/84/335106684.db2.gz RTSMWAAADFXIIM-JTQLQIEISA-N 2 2 252.305 0.313 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]CCOCC(F)F)C1CC1 ZINC000379864902 335106685 /nfs/dbraw/zinc/10/66/85/335106685.db2.gz RTSMWAAADFXIIM-JTQLQIEISA-N 2 2 252.305 0.313 20 0 CCADLP C[C@H]1[NH2+]CC[C@H]1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000566171475 334631207 /nfs/dbraw/zinc/63/12/07/334631207.db2.gz MCTOXMDVAFUGOQ-DGCLKSJQSA-N 2 2 272.352 0.991 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000576451330 335204823 /nfs/dbraw/zinc/20/48/23/335204823.db2.gz VQQWLKOAAINYRG-HIFRSBDPSA-N 2 2 298.431 0.396 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000576451330 335204825 /nfs/dbraw/zinc/20/48/25/335204825.db2.gz VQQWLKOAAINYRG-HIFRSBDPSA-N 2 2 298.431 0.396 20 0 CCADLP CC[N@H+](C)C[C@@H](O)Cn1c2ccccc2[nH+]c1NCCO ZINC000576479014 335209936 /nfs/dbraw/zinc/20/99/36/335209936.db2.gz KGKKOFZGKGQDHH-GFCCVEGCSA-N 2 2 292.383 0.175 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)Cn1c2ccccc2[nH+]c1NCCO ZINC000576479014 335209937 /nfs/dbraw/zinc/20/99/37/335209937.db2.gz KGKKOFZGKGQDHH-GFCCVEGCSA-N 2 2 292.383 0.175 20 0 CCADLP CN(C(=O)C[N@@H+]1CC2CCC1(C[NH3+])CC2)C1CC1 ZINC000576528581 335215573 /nfs/dbraw/zinc/21/55/73/335215573.db2.gz HTDHDLKIXSZQKR-UHFFFAOYSA-N 2 2 251.374 0.811 20 0 CCADLP CN(C(=O)C[N@H+]1CC2CCC1(C[NH3+])CC2)C1CC1 ZINC000576528581 335215575 /nfs/dbraw/zinc/21/55/75/335215575.db2.gz HTDHDLKIXSZQKR-UHFFFAOYSA-N 2 2 251.374 0.811 20 0 CCADLP CCCCNC(=O)[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000576834642 335253528 /nfs/dbraw/zinc/25/35/28/335253528.db2.gz NDGBBLJLVZRTEI-LSDHHAIUSA-N 2 2 299.459 0.927 20 0 CCADLP CCCCNC(=O)[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000576834642 335253529 /nfs/dbraw/zinc/25/35/29/335253529.db2.gz NDGBBLJLVZRTEI-LSDHHAIUSA-N 2 2 299.459 0.927 20 0 CCADLP CCCCNC(=O)[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)CC)C1 ZINC000576834642 335253531 /nfs/dbraw/zinc/25/35/31/335253531.db2.gz NDGBBLJLVZRTEI-LSDHHAIUSA-N 2 2 299.459 0.927 20 0 CCADLP CCCCNC(=O)[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)CC)C1 ZINC000576834642 335253532 /nfs/dbraw/zinc/25/35/32/335253532.db2.gz NDGBBLJLVZRTEI-LSDHHAIUSA-N 2 2 299.459 0.927 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000379977354 335283538 /nfs/dbraw/zinc/28/35/38/335283538.db2.gz SLETXECBXZFENP-IFUGULHKSA-N 2 2 292.383 0.867 20 0 CCADLP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000577062467 335293906 /nfs/dbraw/zinc/29/39/06/335293906.db2.gz JOSMCIGLPJHVEL-GXTWGEPZSA-N 2 2 253.390 0.977 20 0 CCADLP CCCNC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000577062467 335293907 /nfs/dbraw/zinc/29/39/07/335293907.db2.gz JOSMCIGLPJHVEL-GXTWGEPZSA-N 2 2 253.390 0.977 20 0 CCADLP O[C@H](C[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)Cn1cccn1 ZINC000577098730 335299454 /nfs/dbraw/zinc/29/94/54/335299454.db2.gz GPYPOBUNKCXKMJ-HUUCEWRRSA-N 2 2 278.400 0.851 20 0 CCADLP O[C@H](C[NH2+]C[C@H]1CCCC[N@H+]1C1CC1)Cn1cccn1 ZINC000577098730 335299455 /nfs/dbraw/zinc/29/94/55/335299455.db2.gz GPYPOBUNKCXKMJ-HUUCEWRRSA-N 2 2 278.400 0.851 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CC2=CCOCC2)C[C@@H](C)O1 ZINC000577099113 335299921 /nfs/dbraw/zinc/29/99/21/335299921.db2.gz WRUQHPWYBKHDIY-UMVBOHGHSA-N 2 2 284.400 0.393 20 0 CCADLP C[C@H](NC(=O)C1([NH3+])CCC1)[C@H](C)[NH+]1CCOCC1 ZINC000577369435 335343507 /nfs/dbraw/zinc/34/35/07/335343507.db2.gz COGJBLRQMRUWLN-QWRGUYRKSA-N 2 2 255.362 0.093 20 0 CCADLP CCOC(=O)CC[C@H](O)C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000577741594 335395307 /nfs/dbraw/zinc/39/53/07/335395307.db2.gz REWFXEUVBOIVCL-OBJOEFQTSA-N 2 2 284.400 0.905 20 0 CCADLP CCOC(=O)CC[C@H](O)C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000577741594 335395308 /nfs/dbraw/zinc/39/53/08/335395308.db2.gz REWFXEUVBOIVCL-OBJOEFQTSA-N 2 2 284.400 0.905 20 0 CCADLP COCC[NH2+]C1CC[NH+](CC(=O)N2CCC(C)CC2)CC1 ZINC000578198766 335554416 /nfs/dbraw/zinc/55/44/16/335554416.db2.gz GWCORVBRXRGLDI-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP Cn1cc([C@@H]2CN(c3nc[nH+]c(N)c3Cl)C[C@H]2[NH3+])cn1 ZINC000578349778 335617242 /nfs/dbraw/zinc/61/72/42/335617242.db2.gz PMAFQCDWKTVASS-DTWKUNHWSA-N 2 2 293.762 0.377 20 0 CCADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000578502389 335641660 /nfs/dbraw/zinc/64/16/60/335641660.db2.gz OICHMSGUBQAWDZ-PWSUYJOCSA-N 2 2 262.357 0.762 20 0 CCADLP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)[C@H]1CCCO1 ZINC000578786146 335675287 /nfs/dbraw/zinc/67/52/87/335675287.db2.gz ARIJYQCYOLHJSX-FMVNMVDZSA-N 2 2 292.383 0.897 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000581207106 336024997 /nfs/dbraw/zinc/02/49/97/336024997.db2.gz ZGPQEIXAESCKMA-UPJWGTAASA-N 2 2 289.445 0.340 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000581207106 336024998 /nfs/dbraw/zinc/02/49/98/336024998.db2.gz ZGPQEIXAESCKMA-UPJWGTAASA-N 2 2 289.445 0.340 20 0 CCADLP COC[C@]1(C(=O)NCCCCn2cc[nH+]c2)CC[NH2+]C1 ZINC000380817795 336031359 /nfs/dbraw/zinc/03/13/59/336031359.db2.gz AWGRASNJGLXTKJ-AWEZNQCLSA-N 2 2 280.372 0.406 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000383645580 336116099 /nfs/dbraw/zinc/11/60/99/336116099.db2.gz OLRCSIOJOTXIGW-WFASDCNBSA-N 2 2 282.384 0.982 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000383645580 336116100 /nfs/dbraw/zinc/11/61/00/336116100.db2.gz OLRCSIOJOTXIGW-WFASDCNBSA-N 2 2 282.384 0.982 20 0 CCADLP Cn1cc[nH+]c1[C@H]1N(C(=O)N[C@H]2CC[NH2+]C2)CC1(C)C ZINC000581678506 336127498 /nfs/dbraw/zinc/12/74/98/336127498.db2.gz QNYHFIOGJUQUCE-WDEREUQCSA-N 2 2 277.372 0.875 20 0 CCADLP C[C@H]([NH2+]CCCN1CCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000386521012 336176233 /nfs/dbraw/zinc/17/62/33/336176233.db2.gz YUAPVIVSDVLBLX-KBPBESRZSA-N 2 2 255.406 0.829 20 0 CCADLP C[C@H](NCCC[NH+]1CCOCC1)[C@@H]1CCCC[NH2+]1 ZINC000386521012 336176234 /nfs/dbraw/zinc/17/62/34/336176234.db2.gz YUAPVIVSDVLBLX-KBPBESRZSA-N 2 2 255.406 0.829 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1CNC[C@@H](O)C[NH+]1CCOCC1 ZINC000581998578 336188006 /nfs/dbraw/zinc/18/80/06/336188006.db2.gz OLLDVTDUDZBZME-HUUCEWRRSA-N 2 2 285.432 0.144 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1CNC[C@@H](O)C[NH+]1CCOCC1 ZINC000581998578 336188008 /nfs/dbraw/zinc/18/80/08/336188008.db2.gz OLLDVTDUDZBZME-HUUCEWRRSA-N 2 2 285.432 0.144 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000423865728 533792724 /nfs/dbraw/zinc/79/27/24/533792724.db2.gz KYDAEVJKRIFJMM-WFASDCNBSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000423865728 533792731 /nfs/dbraw/zinc/79/27/31/533792731.db2.gz KYDAEVJKRIFJMM-WFASDCNBSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000454268038 533859465 /nfs/dbraw/zinc/85/94/65/533859465.db2.gz PLBFWZYDXMUCPD-MELADBBJSA-N 2 2 296.415 0.053 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000454268038 533859478 /nfs/dbraw/zinc/85/94/78/533859478.db2.gz PLBFWZYDXMUCPD-MELADBBJSA-N 2 2 296.415 0.053 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)[nH]1 ZINC000449394692 534141692 /nfs/dbraw/zinc/14/16/92/534141692.db2.gz OLZAPHMHIWPIRU-CYBMUJFWSA-N 2 2 295.383 0.738 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)[nH]1 ZINC000449394692 534141697 /nfs/dbraw/zinc/14/16/97/534141697.db2.gz OLZAPHMHIWPIRU-CYBMUJFWSA-N 2 2 295.383 0.738 20 0 CCADLP O=C(Nc1ncc(C2CC[NH2+]CC2)s1)[C@H]1COCC[NH2+]1 ZINC000424196602 534472771 /nfs/dbraw/zinc/47/27/71/534472771.db2.gz NFTSPJIAZRZZAC-SNVBAGLBSA-N 2 2 296.396 0.537 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)Nc1[nH+]cnc2c1cnn2C ZINC000340865888 520711416 /nfs/dbraw/zinc/71/14/16/520711416.db2.gz JQLSJTZKZYMLSQ-NSHDSACASA-N 2 2 292.387 0.868 20 0 CCADLP Cc1ccc2[nH+]cc(CN3CC[NH+](CCO)CC3)n2c1 ZINC000305736375 534516517 /nfs/dbraw/zinc/51/65/17/534516517.db2.gz SWQBGXAKRHBHMY-UHFFFAOYSA-N 2 2 274.368 0.753 20 0 CCADLP CC1=CC[NH+](CCNc2ncnc3c2C[N@H+](C)CC3)CC1 ZINC000339974261 520870972 /nfs/dbraw/zinc/87/09/72/520870972.db2.gz VIOIPIGXXLRMJH-UHFFFAOYSA-N 2 2 287.411 0.950 20 0 CCADLP CC1=CC[NH+](CCNc2ncnc3c2C[N@@H+](C)CC3)CC1 ZINC000339974261 520870981 /nfs/dbraw/zinc/87/09/81/520870981.db2.gz VIOIPIGXXLRMJH-UHFFFAOYSA-N 2 2 287.411 0.950 20 0 CCADLP CC1=CC[N@H+](CCNc2ncnc3c2C[NH+](C)CC3)CC1 ZINC000339974261 520870987 /nfs/dbraw/zinc/87/09/87/520870987.db2.gz VIOIPIGXXLRMJH-UHFFFAOYSA-N 2 2 287.411 0.950 20 0 CCADLP CC1=CC[N@@H+](CCNc2ncnc3c2C[NH+](C)CC3)CC1 ZINC000339974261 520870995 /nfs/dbraw/zinc/87/09/95/520870995.db2.gz VIOIPIGXXLRMJH-UHFFFAOYSA-N 2 2 287.411 0.950 20 0 CCADLP CC[N@@H+]1CCCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000364918258 521615140 /nfs/dbraw/zinc/61/51/40/521615140.db2.gz XUWNSXNMILQDMX-UHFFFAOYSA-N 2 2 291.399 0.845 20 0 CCADLP CC[N@H+]1CCCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000364918258 521615145 /nfs/dbraw/zinc/61/51/45/521615145.db2.gz XUWNSXNMILQDMX-UHFFFAOYSA-N 2 2 291.399 0.845 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)C1CC[NH+](CC)CC1 ZINC000157166094 521741415 /nfs/dbraw/zinc/74/14/15/521741415.db2.gz FGFJGWQJAIAONX-LLVKDONJSA-N 2 2 284.404 0.637 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000157166094 521741416 /nfs/dbraw/zinc/74/14/16/521741416.db2.gz FGFJGWQJAIAONX-LLVKDONJSA-N 2 2 284.404 0.637 20 0 CCADLP CNC(=O)c1ccc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000068803313 521820711 /nfs/dbraw/zinc/82/07/11/521820711.db2.gz GSNDXEXADRRHCI-OAHLLOKOSA-N 2 2 290.411 0.382 20 0 CCADLP CNC(=O)c1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000068803313 521820717 /nfs/dbraw/zinc/82/07/17/521820717.db2.gz GSNDXEXADRRHCI-OAHLLOKOSA-N 2 2 290.411 0.382 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[NH+](CCOC)CC1 ZINC000164005893 521830787 /nfs/dbraw/zinc/83/07/87/521830787.db2.gz AXXPOCQWNHERNZ-NWDGAFQWSA-N 2 2 257.378 0.150 20 0 CCADLP COC[C@@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000364736531 522423987 /nfs/dbraw/zinc/42/39/87/522423987.db2.gz DVBVCOLREDILQU-BPUTZDHNSA-N 2 2 293.411 0.889 20 0 CCADLP COC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000364736531 522423991 /nfs/dbraw/zinc/42/39/91/522423991.db2.gz DVBVCOLREDILQU-BPUTZDHNSA-N 2 2 293.411 0.889 20 0 CCADLP C[N@H+](CC(=O)NC(C)(C)C)C1CC[NH+](CCO)CC1 ZINC000357647392 522458245 /nfs/dbraw/zinc/45/82/45/522458245.db2.gz JOWJFRMANSCQRV-UHFFFAOYSA-N 2 2 271.405 0.290 20 0 CCADLP C[N@@H+](CC(=O)NC(C)(C)C)C1CC[NH+](CCO)CC1 ZINC000357647392 522458252 /nfs/dbraw/zinc/45/82/52/522458252.db2.gz JOWJFRMANSCQRV-UHFFFAOYSA-N 2 2 271.405 0.290 20 0 CCADLP COC[C@@](C)([NH2+]CCCn1cc[nH+]c1)C(=O)OC ZINC000182603089 522529682 /nfs/dbraw/zinc/52/96/82/522529682.db2.gz KGKOIZJSWQZXKA-GFCCVEGCSA-N 2 2 255.318 0.441 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000062331224 523589633 /nfs/dbraw/zinc/58/96/33/523589633.db2.gz XWVCKZSTGLKAGZ-MNOVXSKESA-N 2 2 250.346 0.896 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](CCn2cc[nH+]c2C)CCO1 ZINC000157208277 523747683 /nfs/dbraw/zinc/74/76/83/523747683.db2.gz PCXVPVHXZRZLKT-NSHDSACASA-N 2 2 253.302 0.065 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](CCn2cc[nH+]c2C)CCO1 ZINC000157208277 523747693 /nfs/dbraw/zinc/74/76/93/523747693.db2.gz PCXVPVHXZRZLKT-NSHDSACASA-N 2 2 253.302 0.065 20 0 CCADLP Cc1ncc(C[NH2+]Cc2c[nH+]c(N(C)C)n2C)c(=O)[nH]1 ZINC000425365703 534741399 /nfs/dbraw/zinc/74/13/99/534741399.db2.gz YOKGJFZSVYIHLG-UHFFFAOYSA-N 2 2 276.344 0.580 20 0 CCADLP CO[C@H](C)[C@@H](C)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000353640011 523890417 /nfs/dbraw/zinc/89/04/17/523890417.db2.gz FSIOZPQTEWWKNC-HUUCEWRRSA-N 2 2 299.459 0.796 20 0 CCADLP CO[C@H](C)[C@@H](C)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000353640011 523890421 /nfs/dbraw/zinc/89/04/21/523890421.db2.gz FSIOZPQTEWWKNC-HUUCEWRRSA-N 2 2 299.459 0.796 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000450602412 534793733 /nfs/dbraw/zinc/79/37/33/534793733.db2.gz QYVRKFFKBBVAKV-ZDUSSCGKSA-N 2 2 264.373 0.969 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000156630852 524850829 /nfs/dbraw/zinc/85/08/29/524850829.db2.gz HUHHPBLTVCKVFC-STQMWFEESA-N 2 2 276.384 0.709 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000156746562 525001429 /nfs/dbraw/zinc/00/14/29/525001429.db2.gz DJECNKFRHVJEOC-GHMZBOCLSA-N 2 2 257.378 0.197 20 0 CCADLP CC(C)(O)C[NH+]1CCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000665697739 545103627 /nfs/dbraw/zinc/10/36/27/545103627.db2.gz OISYPQJSKWBULE-UHFFFAOYSA-N 2 2 293.371 0.174 20 0 CCADLP C[C@@H](CNc1nc[nH+]c2c1OCCN2)N1CC[NH+](C)CC1 ZINC000665697798 545103580 /nfs/dbraw/zinc/10/35/80/545103580.db2.gz MDPXUXCSZSMHHU-NSHDSACASA-N 2 2 292.387 0.329 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)NC(C)(C)C[NH+]2CCCC2)C1 ZINC000457052463 536433300 /nfs/dbraw/zinc/43/33/00/536433300.db2.gz OKKABCUHNQDPCJ-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)NC(C)(C)C[NH+]2CCCC2)C1 ZINC000457052463 536433301 /nfs/dbraw/zinc/43/33/01/536433301.db2.gz OKKABCUHNQDPCJ-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000665703641 545103842 /nfs/dbraw/zinc/10/38/42/545103842.db2.gz YEFVEVXTQSSYPM-NSHDSACASA-N 2 2 293.371 0.174 20 0 CCADLP c1cn(CCC[NH+]2CCN(c3cnccn3)CC2)c[nH+]1 ZINC000183166747 526531148 /nfs/dbraw/zinc/53/11/48/526531148.db2.gz CUFIUWVYVBUFBZ-UHFFFAOYSA-N 2 2 272.356 0.885 20 0 CCADLP c1nc(N2CC[N@@H+]3CCOC[C@@H]3C2)cc(NCC2CC2)[nH+]1 ZINC000363772875 526602430 /nfs/dbraw/zinc/60/24/30/526602430.db2.gz BWKHEGKFCWOVFJ-ZDUSSCGKSA-N 2 2 289.383 0.819 20 0 CCADLP c1nc(N2CC[N@H+]3CCOC[C@@H]3C2)cc(NCC2CC2)[nH+]1 ZINC000363772875 526602437 /nfs/dbraw/zinc/60/24/37/526602437.db2.gz BWKHEGKFCWOVFJ-ZDUSSCGKSA-N 2 2 289.383 0.819 20 0 CCADLP FC(F)(F)c1cc(C[NH2+]C[C@H]2C[NH2+]CCCO2)[nH]n1 ZINC000666965403 545135965 /nfs/dbraw/zinc/13/59/65/545135965.db2.gz LAQIJZYMRFQRDK-SECBINFHSA-N 2 2 278.278 0.897 20 0 CCADLP C[C@@H](NC(=O)N1CC[NH+](C2CC2)CC1)c1[nH+]ccn1C ZINC000667256789 545142805 /nfs/dbraw/zinc/14/28/05/545142805.db2.gz UJSVALKRKKHKFC-LLVKDONJSA-N 2 2 277.372 0.971 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)C(=O)NCCc1[nH]cc[nH+]1 ZINC000157255087 527335980 /nfs/dbraw/zinc/33/59/80/527335980.db2.gz QJUIEIGEPGRNAT-LBPRGKRZSA-N 2 2 258.325 0.638 20 0 CCADLP OC[C@H]1[C@@H]2C[N@H+](Cc3ccnn3-c3cc[nH+]cc3)C[C@H]12 ZINC000668185881 545166391 /nfs/dbraw/zinc/16/63/91/545166391.db2.gz WXZMLDXDRAZGIJ-FICVDOATSA-N 2 2 270.336 0.937 20 0 CCADLP OC[C@H]1[C@@H]2C[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C[C@H]12 ZINC000668185881 545166392 /nfs/dbraw/zinc/16/63/92/545166392.db2.gz WXZMLDXDRAZGIJ-FICVDOATSA-N 2 2 270.336 0.937 20 0 CCADLP COc1ccccc1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000668541272 545180677 /nfs/dbraw/zinc/18/06/77/545180677.db2.gz LEQGQAYLEIRVDC-ZDUSSCGKSA-N 2 2 292.383 0.480 20 0 CCADLP COc1ccccc1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000668541272 545180678 /nfs/dbraw/zinc/18/06/78/545180678.db2.gz LEQGQAYLEIRVDC-ZDUSSCGKSA-N 2 2 292.383 0.480 20 0 CCADLP COCCn1cc(C[N@H+](C)CC2C[NH+](C)C2)cn1 ZINC000668538685 545180752 /nfs/dbraw/zinc/18/07/52/545180752.db2.gz ABMDORQVHLMEDK-UHFFFAOYSA-N 2 2 252.362 0.523 20 0 CCADLP COCCn1cc(C[N@@H+](C)CC2C[NH+](C)C2)cn1 ZINC000668538685 545180753 /nfs/dbraw/zinc/18/07/53/545180753.db2.gz ABMDORQVHLMEDK-UHFFFAOYSA-N 2 2 252.362 0.523 20 0 CCADLP CN(Cc1c[nH+]c(N(C)C)n1C)CC1C[NH+](C)C1 ZINC000668539082 545180778 /nfs/dbraw/zinc/18/07/78/545180778.db2.gz LRVFLCWGWVEYKA-UHFFFAOYSA-N 2 2 251.378 0.480 20 0 CCADLP Cc1ccc(CCC[N@@H+]2CCC(CO)(CO)C2)c[nH+]1 ZINC000668665535 545186017 /nfs/dbraw/zinc/18/60/17/545186017.db2.gz WTWGYYGYIMCVEJ-UHFFFAOYSA-N 2 2 264.369 0.999 20 0 CCADLP Cc1ccc(CCC[N@H+]2CCC(CO)(CO)C2)c[nH+]1 ZINC000668665535 545186018 /nfs/dbraw/zinc/18/60/18/545186018.db2.gz WTWGYYGYIMCVEJ-UHFFFAOYSA-N 2 2 264.369 0.999 20 0 CCADLP O=C(NCCn1cc[nH+]c1)NC[C@H]1CCCC[NH2+]1 ZINC000668684073 545186981 /nfs/dbraw/zinc/18/69/81/545186981.db2.gz DJLLVYTTZPLBTL-LLVKDONJSA-N 2 2 251.334 0.324 20 0 CCADLP COC[C@@H](C)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000668793276 545190966 /nfs/dbraw/zinc/19/09/66/545190966.db2.gz VPADBAZTIBUJJS-LBPRGKRZSA-N 2 2 252.362 0.825 20 0 CCADLP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000668833388 545191959 /nfs/dbraw/zinc/19/19/59/545191959.db2.gz AEHJQBIQYZUAAB-YNEHKIRRSA-N 2 2 292.383 0.361 20 0 CCADLP CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000668833388 545191960 /nfs/dbraw/zinc/19/19/60/545191960.db2.gz AEHJQBIQYZUAAB-YNEHKIRRSA-N 2 2 292.383 0.361 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCc2ccsc2)[C@@H](C[NH3+])C1 ZINC000669366223 545206140 /nfs/dbraw/zinc/20/61/40/545206140.db2.gz RARJEJZKJKNKMT-LBPRGKRZSA-N 2 2 282.413 0.575 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@H]2Cc3ccccc32)[C@@H](C[NH3+])C1 ZINC000669404467 545207377 /nfs/dbraw/zinc/20/73/77/545207377.db2.gz WFHWSEQYQSRAAF-KGLIPLIRSA-N 2 2 288.395 0.611 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@H]2Cc3ccccc32)[C@@H](C[NH3+])C1 ZINC000669404467 545207378 /nfs/dbraw/zinc/20/73/78/545207378.db2.gz WFHWSEQYQSRAAF-KGLIPLIRSA-N 2 2 288.395 0.611 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000669461683 545208862 /nfs/dbraw/zinc/20/88/62/545208862.db2.gz PNLNBZARUFAUMW-CHWSQXEVSA-N 2 2 284.404 0.148 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000669461683 545208863 /nfs/dbraw/zinc/20/88/63/545208863.db2.gz PNLNBZARUFAUMW-CHWSQXEVSA-N 2 2 284.404 0.148 20 0 CCADLP CCC[C@H]([NH3+])C(=O)N1CC[N@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000423886215 528163473 /nfs/dbraw/zinc/16/34/73/528163473.db2.gz FDYWRSJOYWFKCQ-RYUDHWBXSA-N 2 2 285.388 0.210 20 0 CCADLP CCC[C@H]([NH3+])C(=O)N1CC[N@@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000423886215 528163476 /nfs/dbraw/zinc/16/34/76/528163476.db2.gz FDYWRSJOYWFKCQ-RYUDHWBXSA-N 2 2 285.388 0.210 20 0 CCADLP C[C@@H]([NH3+])c1ccc(NC(=O)CN2CC[NH2+]CC2=O)cc1 ZINC000669512430 545211632 /nfs/dbraw/zinc/21/16/32/545211632.db2.gz TZBHREZTHBZZMV-SNVBAGLBSA-N 2 2 276.340 0.077 20 0 CCADLP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]([NH3+])c2c(F)cccc2F)CCO1 ZINC000669512688 545211734 /nfs/dbraw/zinc/21/17/34/545211734.db2.gz FZRZDYGULFVDLP-KDDOJWQBSA-N 2 2 299.321 0.539 20 0 CCADLP CC[C@@H]1CCC[C@H]1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000669528335 545212852 /nfs/dbraw/zinc/21/28/52/545212852.db2.gz XXVFCESZTCYKQZ-FRRDWIJNSA-N 2 2 268.405 0.849 20 0 CCADLP CC[C@@H]1CCC[C@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000669528335 545212853 /nfs/dbraw/zinc/21/28/53/545212853.db2.gz XXVFCESZTCYKQZ-FRRDWIJNSA-N 2 2 268.405 0.849 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669590707 545215837 /nfs/dbraw/zinc/21/58/37/545215837.db2.gz FUMWVIKHPHXBDH-AAEUAGOBSA-N 2 2 290.367 0.984 20 0 CCADLP CCCNC(=O)CC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422736085 528372770 /nfs/dbraw/zinc/37/27/70/528372770.db2.gz XEDRXAHINTUJAL-TZMCWYRMSA-N 2 2 269.389 0.259 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000418600966 528403205 /nfs/dbraw/zinc/40/32/05/528403205.db2.gz KJKMDYRSFCMGQN-GFCCVEGCSA-N 2 2 294.403 0.235 20 0 CCADLP CN(C)c1c[nH+]ccc1NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000670082017 545228283 /nfs/dbraw/zinc/22/82/83/545228283.db2.gz MLNDBYHQKGLPBJ-LBPRGKRZSA-N 2 2 291.399 0.985 20 0 CCADLP CC[N@H+](CCCNC(=O)C(=O)NCC[NH3+])c1ccccc1 ZINC000419010380 528452675 /nfs/dbraw/zinc/45/26/75/528452675.db2.gz XYJXCZORIFFSQV-UHFFFAOYSA-N 2 2 292.383 0.094 20 0 CCADLP CC[N@@H+](CCCNC(=O)C(=O)NCC[NH3+])c1ccccc1 ZINC000419010380 528452678 /nfs/dbraw/zinc/45/26/78/528452678.db2.gz XYJXCZORIFFSQV-UHFFFAOYSA-N 2 2 292.383 0.094 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423646205 528475112 /nfs/dbraw/zinc/47/51/12/528475112.db2.gz UDSVTGPPZJEMCG-SOUVJXGZSA-N 2 2 295.427 0.555 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423646205 528475117 /nfs/dbraw/zinc/47/51/17/528475117.db2.gz UDSVTGPPZJEMCG-SOUVJXGZSA-N 2 2 295.427 0.555 20 0 CCADLP C[C@@H](C(=O)Nc1ccn2cc[nH+]c2c1)N1CC[NH+](C)CC1 ZINC000670379169 545232475 /nfs/dbraw/zinc/23/24/75/545232475.db2.gz GNZKDEYJZKWAOA-LBPRGKRZSA-N 2 2 287.367 0.909 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000423616321 528476696 /nfs/dbraw/zinc/47/66/96/528476696.db2.gz RWTWCLUMEDEQDS-BFHYXJOUSA-N 2 2 283.416 0.744 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000423616321 528476702 /nfs/dbraw/zinc/47/67/02/528476702.db2.gz RWTWCLUMEDEQDS-BFHYXJOUSA-N 2 2 283.416 0.744 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000423539701 528478991 /nfs/dbraw/zinc/47/89/91/528478991.db2.gz BYAMEWACHZBWCL-MELADBBJSA-N 2 2 283.416 0.602 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000423539701 528478999 /nfs/dbraw/zinc/47/89/99/528478999.db2.gz BYAMEWACHZBWCL-MELADBBJSA-N 2 2 283.416 0.602 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000418244238 528514666 /nfs/dbraw/zinc/51/46/66/528514666.db2.gz SEWOOPNXSWKONE-WDEREUQCSA-N 2 2 279.388 0.940 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000418244238 528514671 /nfs/dbraw/zinc/51/46/71/528514671.db2.gz SEWOOPNXSWKONE-WDEREUQCSA-N 2 2 279.388 0.940 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000449122636 528542032 /nfs/dbraw/zinc/54/20/32/528542032.db2.gz AAOMRHHHXRBOQB-AAEUAGOBSA-N 2 2 269.389 0.354 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000449122636 528542035 /nfs/dbraw/zinc/54/20/35/528542035.db2.gz AAOMRHHHXRBOQB-AAEUAGOBSA-N 2 2 269.389 0.354 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)N1CCC[N@H+](CC(=O)NCC)CC1 ZINC000449105166 528550245 /nfs/dbraw/zinc/55/02/45/528550245.db2.gz HHGYIYDESKDJAS-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)N1CCC[N@@H+](CC(=O)NCC)CC1 ZINC000449105166 528550249 /nfs/dbraw/zinc/55/02/49/528550249.db2.gz HHGYIYDESKDJAS-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CC(C)n1c[nH+]cc1CN1CC[N@H+](CCO)C[C@H]1C ZINC000425370945 528620661 /nfs/dbraw/zinc/62/06/61/528620661.db2.gz PEEVWQZSZCLNSF-CYBMUJFWSA-N 2 2 266.389 0.962 20 0 CCADLP CC(C)n1c[nH+]cc1CN1CC[N@@H+](CCO)C[C@H]1C ZINC000425370945 528620666 /nfs/dbraw/zinc/62/06/66/528620666.db2.gz PEEVWQZSZCLNSF-CYBMUJFWSA-N 2 2 266.389 0.962 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449659224 528814229 /nfs/dbraw/zinc/81/42/29/528814229.db2.gz VMWCYNWWDDNHKZ-TUAOUCFPSA-N 2 2 289.370 0.982 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449659227 528814579 /nfs/dbraw/zinc/81/45/79/528814579.db2.gz VMWCYNWWDDNHKZ-WOPDTQHZSA-N 2 2 289.370 0.982 20 0 CCADLP CC[C@@H](C(=O)N[C@@H]1CCc2c[nH+]cn2C1)[NH+](C)C ZINC000672147240 545262803 /nfs/dbraw/zinc/26/28/03/545262803.db2.gz IXHFUTSZXLBBBI-PWSUYJOCSA-N 2 2 250.346 0.654 20 0 CCADLP C[C@H](C(=O)N[C@@H]1CCc2c[nH+]cn2C1)[NH+]1CCSCC1 ZINC000672155054 545263938 /nfs/dbraw/zinc/26/39/38/545263938.db2.gz WWIFEUKLQIRHPX-VXGBXAGGSA-N 2 2 294.424 0.751 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672158369 545264004 /nfs/dbraw/zinc/26/40/04/545264004.db2.gz XFOUHYUWVVTROJ-CHWSQXEVSA-N 2 2 292.383 0.282 20 0 CCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)Cc1c[nH+]cn1C ZINC000672902055 545275291 /nfs/dbraw/zinc/27/52/91/545275291.db2.gz YHTKVIXPJPLKCF-LBPRGKRZSA-N 2 2 264.373 0.953 20 0 CCADLP CCN1CCN(C(=O)/C=C/C[NH+](C)C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000492721691 529109398 /nfs/dbraw/zinc/10/93/98/529109398.db2.gz SPUGXDFUFJDRIH-URWSZGRFSA-N 2 2 291.399 0.733 20 0 CCADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CC[NH+](C)CC1 ZINC000673671059 545291083 /nfs/dbraw/zinc/29/10/83/545291083.db2.gz SLFBHBXQXZQRLM-LLVKDONJSA-N 2 2 250.346 0.730 20 0 CCADLP CC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000456538858 529354209 /nfs/dbraw/zinc/35/42/09/529354209.db2.gz XOSIOWSCHYGXRJ-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000456538858 529354211 /nfs/dbraw/zinc/35/42/11/529354211.db2.gz XOSIOWSCHYGXRJ-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@@H](C(=O)N1CCN(Cc2[nH+]ccn2C)CC1)[NH+](C)C ZINC000674287597 545302672 /nfs/dbraw/zinc/30/26/72/545302672.db2.gz IBBAIOZETUOWEG-LBPRGKRZSA-N 2 2 279.388 0.014 20 0 CCADLP CC(C)([NH3+])C[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000261654416 535199926 /nfs/dbraw/zinc/19/99/26/535199926.db2.gz BHIKKKZIVUGVKJ-UHFFFAOYSA-N 2 2 276.384 0.645 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CC[NH+](CCOCC)CC1 ZINC000349046725 535248346 /nfs/dbraw/zinc/24/83/46/535248346.db2.gz GICFKIQKMRRTID-UHFFFAOYSA-N 2 2 271.405 0.509 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[NH+](CCOCC)CC1 ZINC000349046725 535248354 /nfs/dbraw/zinc/24/83/54/535248354.db2.gz GICFKIQKMRRTID-UHFFFAOYSA-N 2 2 271.405 0.509 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000675103644 545321922 /nfs/dbraw/zinc/32/19/22/545321922.db2.gz ZKNDMEDMFCDBTQ-MBNYWOFBSA-N 2 2 275.400 0.997 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000675103644 545321923 /nfs/dbraw/zinc/32/19/23/545321923.db2.gz ZKNDMEDMFCDBTQ-MBNYWOFBSA-N 2 2 275.400 0.997 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000675219099 545323742 /nfs/dbraw/zinc/32/37/42/545323742.db2.gz YIBUAEZEXSRXPR-CQSZACIVSA-N 2 2 292.383 0.596 20 0 CCADLP CN(CC[NH+](C)C)c1nc(N2CCOCC2)cc[nH+]1 ZINC000676311617 545340932 /nfs/dbraw/zinc/34/09/32/545340932.db2.gz ICOVKWVBMZIYLS-UHFFFAOYSA-N 2 2 265.361 0.311 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000360554031 535638054 /nfs/dbraw/zinc/63/80/54/535638054.db2.gz VMRIJFAFNSIRKL-GOEBONIOSA-N 3 2 294.443 0.224 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000360554031 535638058 /nfs/dbraw/zinc/63/80/58/535638058.db2.gz VMRIJFAFNSIRKL-GOEBONIOSA-N 3 2 294.443 0.224 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000341852842 535639136 /nfs/dbraw/zinc/63/91/36/535639136.db2.gz ZUCACXRRLGVZOT-KBPBESRZSA-N 2 2 282.432 0.175 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000341852842 535639140 /nfs/dbraw/zinc/63/91/40/535639140.db2.gz ZUCACXRRLGVZOT-KBPBESRZSA-N 2 2 282.432 0.175 20 0 CCADLP CC[NH+]1CCN(CCC(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000263655744 535683262 /nfs/dbraw/zinc/68/32/62/535683262.db2.gz HEEKXUXGUHKRPV-CQSZACIVSA-N 2 2 293.415 0.415 20 0 CCADLP CCN1CC[NH+](CCC(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000263655744 535683266 /nfs/dbraw/zinc/68/32/66/535683266.db2.gz HEEKXUXGUHKRPV-CQSZACIVSA-N 2 2 293.415 0.415 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1[nH]nc2ccccc21 ZINC000676908028 545355062 /nfs/dbraw/zinc/35/50/62/545355062.db2.gz QBBHNVMJNYYRLT-CQSZACIVSA-N 2 2 262.357 0.965 20 0 CCADLP CC[N@H+](C)CCNC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000263761456 535751163 /nfs/dbraw/zinc/75/11/63/535751163.db2.gz LGMPESQNEGKCBX-UHFFFAOYSA-N 2 2 279.388 0.970 20 0 CCADLP CC[N@@H+](C)CCNC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000263761456 535751168 /nfs/dbraw/zinc/75/11/68/535751168.db2.gz LGMPESQNEGKCBX-UHFFFAOYSA-N 2 2 279.388 0.970 20 0 CCADLP CN(CCC[N@H+](C)CC(=O)Nc1ccon1)CC[NH+](C)C ZINC000677215231 545360973 /nfs/dbraw/zinc/36/09/73/545360973.db2.gz AAKUENHSAGPDIT-UHFFFAOYSA-N 2 2 297.403 0.428 20 0 CCADLP CN(CCC[N@@H+](C)CC(=O)Nc1ccon1)CC[NH+](C)C ZINC000677215231 545360974 /nfs/dbraw/zinc/36/09/74/545360974.db2.gz AAKUENHSAGPDIT-UHFFFAOYSA-N 2 2 297.403 0.428 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000678080538 545384037 /nfs/dbraw/zinc/38/40/37/545384037.db2.gz CSTDSVFWYHKSCS-TZMCWYRMSA-N 2 2 281.400 0.437 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000678080538 545384038 /nfs/dbraw/zinc/38/40/38/545384038.db2.gz CSTDSVFWYHKSCS-TZMCWYRMSA-N 2 2 281.400 0.437 20 0 CCADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3cn[nH]c3)CC2)C1 ZINC000678258911 545387843 /nfs/dbraw/zinc/38/78/43/545387843.db2.gz RRHBQRZWVYRJSG-CQSZACIVSA-N 2 2 263.389 0.622 20 0 CCADLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3cn[nH]c3)CC2)C1 ZINC000678258911 545387844 /nfs/dbraw/zinc/38/78/44/545387844.db2.gz RRHBQRZWVYRJSG-CQSZACIVSA-N 2 2 263.389 0.622 20 0 CCADLP CNC(=O)NC(=O)CC[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261752421 536320759 /nfs/dbraw/zinc/32/07/59/536320759.db2.gz NKCHNJOXVCQBOW-QWHCGFSZSA-N 2 2 290.367 0.259 20 0 CCADLP CNC(=O)NC(=O)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261752421 536320760 /nfs/dbraw/zinc/32/07/60/536320760.db2.gz NKCHNJOXVCQBOW-QWHCGFSZSA-N 2 2 290.367 0.259 20 0 CCADLP C[NH2+][C@@H](C(=O)N[C@H](C)Cn1cc[nH+]c1)c1cnn(C)c1 ZINC000262370260 536336541 /nfs/dbraw/zinc/33/65/41/536336541.db2.gz LPXWFDNSIUCJFW-ZYHUDNBSSA-N 2 2 276.344 0.082 20 0 CCADLP Cc1[nH+]ccn1CCC[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000678628877 545395713 /nfs/dbraw/zinc/39/57/13/545395713.db2.gz LEIAFGBGRLOFIO-HNNXBMFYSA-N 2 2 278.400 0.988 20 0 CCADLP Cc1[nH+]ccn1CCCN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000678628877 545395714 /nfs/dbraw/zinc/39/57/14/545395714.db2.gz LEIAFGBGRLOFIO-HNNXBMFYSA-N 2 2 278.400 0.988 20 0 CCADLP C[NH+]1CCC([NH2+]C[C@@H]2CCCCS2(=O)=O)CC1 ZINC000346806032 536344755 /nfs/dbraw/zinc/34/47/55/536344755.db2.gz AINQYNCIKUGXIA-LBPRGKRZSA-N 2 2 260.403 0.638 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000678714896 545396562 /nfs/dbraw/zinc/39/65/62/545396562.db2.gz XXZVFBYCRIVYIA-HOTGVXAUSA-N 2 2 297.443 0.504 20 0 CCADLP CN(CC[NH+]1CCCC1)C(=O)NCC[NH+]1CCOCC1 ZINC000344000177 536369576 /nfs/dbraw/zinc/36/95/76/536369576.db2.gz FPESYUUARHRJHR-UHFFFAOYSA-N 2 2 284.404 0.056 20 0 CCADLP CN(CC[NH+]1CCCC1)C(=O)CCn1cc[nH+]c1 ZINC000343499418 536370006 /nfs/dbraw/zinc/37/00/06/536370006.db2.gz YTYLKKFZZBIUFS-UHFFFAOYSA-N 2 2 250.346 0.827 20 0 CCADLP COC(=O)N1CCC(C[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)CC1 ZINC000496686348 536407719 /nfs/dbraw/zinc/40/77/19/536407719.db2.gz RJLYICIPLNJRJK-TZMCWYRMSA-N 2 2 299.415 0.821 20 0 CCADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](C)CC2)C(=O)N1c1cnn(C)c1 ZINC000679068143 545401695 /nfs/dbraw/zinc/40/16/95/545401695.db2.gz XWJFUYAAXOUUMG-FZMZJTMJSA-N 2 2 291.399 0.598 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C)CC2)C(=O)N1c1cnn(C)c1 ZINC000679068142 545401709 /nfs/dbraw/zinc/40/17/09/545401709.db2.gz XWJFUYAAXOUUMG-BXUZGUMPSA-N 2 2 291.399 0.598 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]C2CC(OC(C)(C)C)C2)CC1 ZINC000679336918 545407623 /nfs/dbraw/zinc/40/76/23/545407623.db2.gz WLNPUHLMQHSJJX-UHFFFAOYSA-N 2 2 283.416 0.696 20 0 CCADLP COCCO[C@H]1C[C@H](CO)C[N@H+](CC(C)(C)[NH3+])C1 ZINC000261778066 536591839 /nfs/dbraw/zinc/59/18/39/536591839.db2.gz FFEJIYLXOQGBNY-RYUDHWBXSA-N 2 2 260.378 0.070 20 0 CCADLP COCCO[C@H]1C[C@H](CO)C[N@@H+](CC(C)(C)[NH3+])C1 ZINC000261778066 536591848 /nfs/dbraw/zinc/59/18/48/536591848.db2.gz FFEJIYLXOQGBNY-RYUDHWBXSA-N 2 2 260.378 0.070 20 0 CCADLP COC[C@@H]([NH3+])C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000262247420 536663762 /nfs/dbraw/zinc/66/37/62/536663762.db2.gz IHRFPBQFEOVVPV-CQSZACIVSA-N 2 2 288.351 0.521 20 0 CCADLP CO[C@@H]1CC[N@H+](Cc2ccc3c(c2)nnn3C)[C@H](C[NH3+])C1 ZINC000346840802 536687209 /nfs/dbraw/zinc/68/72/09/536687209.db2.gz USMUVRBUMWTDSX-QWHCGFSZSA-N 2 2 289.383 0.906 20 0 CCADLP CO[C@@H]1CC[N@@H+](Cc2ccc3c(c2)nnn3C)[C@H](C[NH3+])C1 ZINC000346840802 536687212 /nfs/dbraw/zinc/68/72/12/536687212.db2.gz USMUVRBUMWTDSX-QWHCGFSZSA-N 2 2 289.383 0.906 20 0 CCADLP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)C(F)(F)F)CC2)C1 ZINC000680866157 545436846 /nfs/dbraw/zinc/43/68/46/545436846.db2.gz MYVYRHRADRMXOJ-NWDGAFQWSA-N 2 2 295.349 0.621 20 0 CCADLP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)C(F)(F)F)CC2)C1 ZINC000680866157 545436847 /nfs/dbraw/zinc/43/68/47/545436847.db2.gz MYVYRHRADRMXOJ-NWDGAFQWSA-N 2 2 295.349 0.621 20 0 CCADLP CN(CC[NH+]1CCCC1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682491923 545480526 /nfs/dbraw/zinc/48/05/26/545480526.db2.gz SJSNRMBQTMPJFG-ZDUSSCGKSA-N 2 2 276.384 1.000 20 0 CCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@H]2C1 ZINC000682527046 545482261 /nfs/dbraw/zinc/48/22/61/545482261.db2.gz BVZDAIQROHWCGY-MCIONIFRSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@H]2C1 ZINC000682527046 545482262 /nfs/dbraw/zinc/48/22/62/545482262.db2.gz BVZDAIQROHWCGY-MCIONIFRSA-N 2 2 288.395 0.998 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)NCCOCC[NH+](C)C)CC2 ZINC000682614298 545485958 /nfs/dbraw/zinc/48/59/58/545485958.db2.gz QEPWLDPFMIOMRE-UHFFFAOYSA-N 2 2 295.387 0.295 20 0 CCADLP C[NH+](C)CCCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000683413556 545519740 /nfs/dbraw/zinc/51/97/40/545519740.db2.gz QBYZNDXWMIYMBK-UHFFFAOYSA-N 2 2 284.404 0.102 20 0 CCADLP Cc1cc(N[C@H](CO)C[NH+](C)C)nc(-c2ccncc2)[nH+]1 ZINC000685262002 545805275 /nfs/dbraw/zinc/80/52/75/545805275.db2.gz ILOSSABIDHTLDA-ZDUSSCGKSA-N 2 2 287.367 0.603 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCN(C=O)CC1 ZINC000788432499 581110605 /nfs/dbraw/zinc/11/06/05/581110605.db2.gz YLFDKEAJKAMJDC-AWEZNQCLSA-N 2 2 269.389 0.308 20 0 CCADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C1CCN(C=O)CC1 ZINC000788432499 581110608 /nfs/dbraw/zinc/11/06/08/581110608.db2.gz YLFDKEAJKAMJDC-AWEZNQCLSA-N 2 2 269.389 0.308 20 0 CCADLP C[NH+]1CCC(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000788482833 581113584 /nfs/dbraw/zinc/11/35/84/581113584.db2.gz YGKRGBCIKZJSGH-INIZCTEOSA-N 3 2 281.444 0.982 20 0 CCADLP C[NH+]1CCC(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000788482833 581113585 /nfs/dbraw/zinc/11/35/85/581113585.db2.gz YGKRGBCIKZJSGH-INIZCTEOSA-N 3 2 281.444 0.982 20 0 CCADLP Fc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c(-c2nn[nH]n2)c1 ZINC000737647585 581113964 /nfs/dbraw/zinc/11/39/64/581113964.db2.gz GZPCYPMIZRXUDS-GHMZBOCLSA-N 2 2 288.330 0.657 20 0 CCADLP CC[N@H+](C[C@H](O)C[NH+]1CCCC1)C[C@H](O)C(F)(F)F ZINC000778196123 581144852 /nfs/dbraw/zinc/14/48/52/581144852.db2.gz BVFOUFMAUYPPHQ-QWRGUYRKSA-N 2 2 284.322 0.688 20 0 CCADLP CC[N@@H+](C[C@H](O)C[NH+]1CCCC1)C[C@H](O)C(F)(F)F ZINC000778196123 581144855 /nfs/dbraw/zinc/14/48/55/581144855.db2.gz BVFOUFMAUYPPHQ-QWRGUYRKSA-N 2 2 284.322 0.688 20 0 CCADLP CO[C@@H]1CC[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790369595 581185049 /nfs/dbraw/zinc/18/50/49/581185049.db2.gz QHSLJDCJERCTMH-UKRRQHHQSA-N 2 2 295.383 0.581 20 0 CCADLP CO[C@@H]1CC[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790369595 581185050 /nfs/dbraw/zinc/18/50/50/581185050.db2.gz QHSLJDCJERCTMH-UKRRQHHQSA-N 2 2 295.383 0.581 20 0 CCADLP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2c[nH+]cn2C)C1 ZINC000779651710 581196914 /nfs/dbraw/zinc/19/69/14/581196914.db2.gz JQHIIJOJYBYJCT-GFCCVEGCSA-N 3 2 281.360 0.528 20 0 CCADLP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2c[nH+]cn2C)C1 ZINC000779651710 581196916 /nfs/dbraw/zinc/19/69/16/581196916.db2.gz JQHIIJOJYBYJCT-GFCCVEGCSA-N 3 2 281.360 0.528 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH+]2CCCC2)C[C@H](C2CC2)O1 ZINC000791559187 581224766 /nfs/dbraw/zinc/22/47/66/581224766.db2.gz RWBHLTFIEZSTNV-BPLDGKMQSA-N 2 2 268.401 0.942 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+]2CCCC2)C[C@H](C2CC2)O1 ZINC000791559187 581224767 /nfs/dbraw/zinc/22/47/67/581224767.db2.gz RWBHLTFIEZSTNV-BPLDGKMQSA-N 2 2 268.401 0.942 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)NCCCn2cc[nH+]c2)CCO1 ZINC000726258134 581234503 /nfs/dbraw/zinc/23/45/03/581234503.db2.gz CQXDFSBCLGVLJN-CYBMUJFWSA-N 2 2 295.387 0.293 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCCCn2cc[nH+]c2)CCO1 ZINC000726258134 581234507 /nfs/dbraw/zinc/23/45/07/581234507.db2.gz CQXDFSBCLGVLJN-CYBMUJFWSA-N 2 2 295.387 0.293 20 0 CCADLP CCc1cc(NCC(=O)N2CC[NH+](C)CC2)nc(C)[nH+]1 ZINC000782146722 581290290 /nfs/dbraw/zinc/29/02/90/581290290.db2.gz FXQHYAMAQLAVAH-UHFFFAOYSA-N 2 2 277.372 0.533 20 0 CCADLP C[NH+](C)CC(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000727297862 581316249 /nfs/dbraw/zinc/31/62/49/581316249.db2.gz NZZQBAMCWJHTMP-UHFFFAOYSA-N 2 2 276.384 0.939 20 0 CCADLP O=C(CC[NH+]1CCOCC1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000728538885 581363905 /nfs/dbraw/zinc/36/39/05/581363905.db2.gz RMPUJYYCEHUCRB-AWEZNQCLSA-N 2 2 292.383 0.769 20 0 CCADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+]2CC=CCC2)C1 ZINC000783990391 581369744 /nfs/dbraw/zinc/36/97/44/581369744.db2.gz BCMISQWNLNKFKI-LBPRGKRZSA-N 2 2 260.341 0.955 20 0 CCADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+]2CC=CCC2)C1 ZINC000783990391 581369747 /nfs/dbraw/zinc/36/97/47/581369747.db2.gz BCMISQWNLNKFKI-LBPRGKRZSA-N 2 2 260.341 0.955 20 0 CCADLP CO[C@@H](C)C[N@H+](C)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000795745342 581421424 /nfs/dbraw/zinc/42/14/24/581421424.db2.gz BSZDYSFZPNBYOO-RYUDHWBXSA-N 2 2 280.372 0.660 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000795745342 581421425 /nfs/dbraw/zinc/42/14/25/581421425.db2.gz BSZDYSFZPNBYOO-RYUDHWBXSA-N 2 2 280.372 0.660 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CCCc2n[nH]cc21)C[NH+]1CCCC1 ZINC000796703006 581448599 /nfs/dbraw/zinc/44/85/99/581448599.db2.gz OUDJAJSKPINQKQ-DGCLKSJQSA-N 2 2 264.373 0.833 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ncc[nH]1 ZINC000796771650 581450110 /nfs/dbraw/zinc/45/01/10/581450110.db2.gz LQDPIWKGJIUHFE-ZIAGYGMSSA-N 2 2 293.415 0.467 20 0 CCADLP c1cc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)co1 ZINC000734509509 581569460 /nfs/dbraw/zinc/56/94/60/581569460.db2.gz LHNBBWQCKWMLFN-HNNXBMFYSA-N 2 2 279.384 0.776 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CCC2OCCO2)CC1 ZINC000767812867 581632561 /nfs/dbraw/zinc/63/25/61/581632561.db2.gz XRLXBBWMMQCUSL-ZDUSSCGKSA-N 2 2 297.399 0.164 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CCC2OCCO2)CC1 ZINC000767812867 581632563 /nfs/dbraw/zinc/63/25/63/581632563.db2.gz XRLXBBWMMQCUSL-ZDUSSCGKSA-N 2 2 297.399 0.164 20 0 CCADLP CONC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000736649734 581809849 /nfs/dbraw/zinc/80/98/49/581809849.db2.gz JIQTVYNVYBIEQU-SNVBAGLBSA-N 2 2 256.350 0.016 20 0 CCADLP CONC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000736649734 581809851 /nfs/dbraw/zinc/80/98/51/581809851.db2.gz JIQTVYNVYBIEQU-SNVBAGLBSA-N 2 2 256.350 0.016 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ncccn3)C2)CC1 ZINC000743400969 581810874 /nfs/dbraw/zinc/81/08/74/581810874.db2.gz ULDAMFNOZADMPI-LBPRGKRZSA-N 2 2 289.383 0.375 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ncccn3)C2)CC1 ZINC000743400969 581810876 /nfs/dbraw/zinc/81/08/76/581810876.db2.gz ULDAMFNOZADMPI-LBPRGKRZSA-N 2 2 289.383 0.375 20 0 CCADLP C[NH+]1CCC(CNC(=S)NCCn2cc[nH+]c2)CC1 ZINC000760464839 581860868 /nfs/dbraw/zinc/86/08/68/581860868.db2.gz SVTKMFWTOATDDA-UHFFFAOYSA-N 2 2 281.429 0.689 20 0 CCADLP C[C@H]1CN(C(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCO1 ZINC000746454678 581914271 /nfs/dbraw/zinc/91/42/71/581914271.db2.gz WLUJVPRVIGBISP-QWHCGFSZSA-N 2 2 292.383 0.836 20 0 CCADLP C[C@H]1CN(C(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCO1 ZINC000746454678 581914276 /nfs/dbraw/zinc/91/42/76/581914276.db2.gz WLUJVPRVIGBISP-QWHCGFSZSA-N 2 2 292.383 0.836 20 0 CCADLP OC[C@@H]1CCCC[NH+]1CC(O)C[N@H+]1CCCC[C@H]1CO ZINC000773728740 581939701 /nfs/dbraw/zinc/93/97/01/581939701.db2.gz FPTFUFINXOVPEL-KBPBESRZSA-N 2 2 286.416 0.041 20 0 CCADLP OC[C@@H]1CCCC[NH+]1CC(O)C[N@@H+]1CCCC[C@H]1CO ZINC000773728740 581939703 /nfs/dbraw/zinc/93/97/03/581939703.db2.gz FPTFUFINXOVPEL-KBPBESRZSA-N 2 2 286.416 0.041 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]C2CCN(C=O)CC2)C[N@@H+]1C1CC1 ZINC000774220706 581965862 /nfs/dbraw/zinc/96/58/62/581965862.db2.gz ZNSGRGZEKBALHI-WCQYABFASA-N 2 2 251.374 0.822 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]C2CCN(C=O)CC2)C[N@H+]1C1CC1 ZINC000774220706 581965866 /nfs/dbraw/zinc/96/58/66/581965866.db2.gz ZNSGRGZEKBALHI-WCQYABFASA-N 2 2 251.374 0.822 20 0 CCADLP CO[C@@H](C)CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000749972438 582028191 /nfs/dbraw/zinc/02/81/91/582028191.db2.gz CEBLDAHFJCKYTH-ZDUSSCGKSA-N 2 2 285.432 0.896 20 0 CCADLP CO[C@@H](C)CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000749972438 582028194 /nfs/dbraw/zinc/02/81/94/582028194.db2.gz CEBLDAHFJCKYTH-ZDUSSCGKSA-N 2 2 285.432 0.896 20 0 CCADLP CCN(CC)C(=O)C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000134194262 614978212 /nfs/dbraw/zinc/97/82/12/614978212.db2.gz LRATXXGARSYXQA-NWDGAFQWSA-N 2 2 257.378 0.211 20 0 CCADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)o1 ZINC000820243206 599418540 /nfs/dbraw/zinc/41/85/40/599418540.db2.gz YCKGFCWBTJLHJO-SECBINFHSA-N 2 2 264.333 0.890 20 0 CCADLP C[C@@H](NC(=[NH2+])NCc1c[nH+]c(N(C)C)n1C)C1CC1 ZINC000899267672 617179701 /nfs/dbraw/zinc/17/97/01/617179701.db2.gz RRRGEQOLUMYKML-SECBINFHSA-N 2 2 264.377 0.899 20 0 CCADLP CC(C)NC(=O)C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886865498 613915322 /nfs/dbraw/zinc/91/53/22/613915322.db2.gz MCUOVTHUUQLZQV-AWEZNQCLSA-N 2 2 253.390 0.977 20 0 CCADLP CC(C)NC(=O)C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886865498 613915324 /nfs/dbraw/zinc/91/53/24/613915324.db2.gz MCUOVTHUUQLZQV-AWEZNQCLSA-N 2 2 253.390 0.977 20 0 CCADLP CC(C)[C@H](CNC(=[NH2+])N1CCC1)[NH+]1CCN(C)CC1 ZINC000848984010 614208431 /nfs/dbraw/zinc/20/84/31/614208431.db2.gz CITKMCOZTZWMBP-ZDUSSCGKSA-N 2 2 267.421 0.488 20 0 CCADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000876961139 613191756 /nfs/dbraw/zinc/19/17/56/613191756.db2.gz QZMAWFRGQQOVEM-NNCSVZIBSA-N 2 2 295.427 0.624 20 0 CCADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000876961139 613191758 /nfs/dbraw/zinc/19/17/58/613191758.db2.gz QZMAWFRGQQOVEM-NNCSVZIBSA-N 2 2 295.427 0.624 20 0 CCADLP C1=C[C@@H](C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)[C@H]2CO[C@@H]1C2 ZINC000925829305 613220750 /nfs/dbraw/zinc/22/07/50/613220750.db2.gz BZTPKKHFFCHOLD-XFIYOXNOSA-N 2 2 278.396 0.934 20 0 CCADLP C1CC[C@H]([NH+]2CCOCC2)[C@@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925560440 613225181 /nfs/dbraw/zinc/22/51/81/613225181.db2.gz LYGPTIMESIEJEA-KKUMJFAQSA-N 2 2 283.416 0.208 20 0 CCADLP C/C(=C/C(=O)N1CC[N@@H+](C)C(C)(C)C1)C[NH+]1CCOCC1 ZINC000907976821 613230628 /nfs/dbraw/zinc/23/06/28/613230628.db2.gz YLKIWNYVDQXBRP-KAMYIIQDSA-N 2 2 295.427 0.818 20 0 CCADLP C/C(=C/C(=O)N1CC[N@H+](C)C(C)(C)C1)C[NH+]1CCOCC1 ZINC000907976821 613230635 /nfs/dbraw/zinc/23/06/35/613230635.db2.gz YLKIWNYVDQXBRP-KAMYIIQDSA-N 2 2 295.427 0.818 20 0 CCADLP C1C[C@H]([NH2+][C@@H]2C[NH2+]CCOC2)C2(C1)CCOCC2 ZINC000925661769 613233352 /nfs/dbraw/zinc/23/33/52/613233352.db2.gz WMGBPKWWPDVKIA-OLZOCXBDSA-N 2 2 254.374 0.914 20 0 CCADLP C/C(=C/C(=O)N[C@@H]1CCC[N@@H+](C)C1)C[NH+]1CCOCC1 ZINC000900588687 613238957 /nfs/dbraw/zinc/23/89/57/613238957.db2.gz GFISRRJBYXCCGG-QLKUMGTLSA-N 2 2 281.400 0.475 20 0 CCADLP C/C(=C/C(=O)N[C@@H]1CCC[N@H+](C)C1)C[NH+]1CCOCC1 ZINC000900588687 613238959 /nfs/dbraw/zinc/23/89/59/613238959.db2.gz GFISRRJBYXCCGG-QLKUMGTLSA-N 2 2 281.400 0.475 20 0 CCADLP C/C(=C/C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)C[NH+]1CCOCC1 ZINC000900372262 613239042 /nfs/dbraw/zinc/23/90/42/613239042.db2.gz RJMMSFIZBLXNFK-QLKUMGTLSA-N 2 2 293.411 0.618 20 0 CCADLP C/C(=C/C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)C[NH+]1CCOCC1 ZINC000900372262 613239045 /nfs/dbraw/zinc/23/90/45/613239045.db2.gz RJMMSFIZBLXNFK-QLKUMGTLSA-N 2 2 293.411 0.618 20 0 CCADLP C/C(=C\C(=O)NC[C@H](C1CC1)[NH+](C)C)C[NH+]1CCOCC1 ZINC000900283451 613256800 /nfs/dbraw/zinc/25/68/00/613256800.db2.gz RRZJFHYLDRQBMN-NRMKIYEFSA-N 2 2 295.427 0.721 20 0 CCADLP CC(C)[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC000979442206 613964926 /nfs/dbraw/zinc/96/49/26/613964926.db2.gz GEXUZMFPUYFPAD-JSGCOSHPSA-N 2 2 294.399 0.577 20 0 CCADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C[C@H]1COCC[NH2+]1 ZINC000130141592 614033339 /nfs/dbraw/zinc/03/33/39/614033339.db2.gz XCCXIVOKNFMQFY-STQMWFEESA-N 2 2 294.399 0.793 20 0 CCADLP CC(C)OC[C@H](O)C[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000923393391 614035419 /nfs/dbraw/zinc/03/54/19/614035419.db2.gz PMULSELUQHFWRB-ROKHWSDSSA-N 2 2 256.390 0.976 20 0 CCADLP CC(C)OC[C@H](O)C[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000923393391 614035422 /nfs/dbraw/zinc/03/54/22/614035422.db2.gz PMULSELUQHFWRB-ROKHWSDSSA-N 2 2 256.390 0.976 20 0 CCADLP CC(C)(CNC(=O)CC[NH+]1CCOCC1)n1cc[nH+]c1 ZINC000898902744 614094657 /nfs/dbraw/zinc/09/46/57/614094657.db2.gz SXHNMEOJACJCPP-UHFFFAOYSA-N 2 2 280.372 0.457 20 0 CCADLP CC(C)[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cnn(C)c1 ZINC000886524176 614128520 /nfs/dbraw/zinc/12/85/20/614128520.db2.gz FPAUFCJNGJIXDL-CHWSQXEVSA-N 2 2 254.378 0.629 20 0 CCADLP CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](C)C[C@H](C)[NH3+])cc1 ZINC000923411303 614203285 /nfs/dbraw/zinc/20/32/85/614203285.db2.gz QRBRGEWIRIIEDO-SMDDNHRTSA-N 2 2 295.383 0.664 20 0 CCADLP CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](C)C[C@H](C)[NH3+])cc1 ZINC000923411303 614203287 /nfs/dbraw/zinc/20/32/87/614203287.db2.gz QRBRGEWIRIIEDO-SMDDNHRTSA-N 2 2 295.383 0.664 20 0 CCADLP CC(C)C[C@H]1COCC[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878106262 614227915 /nfs/dbraw/zinc/22/79/15/614227915.db2.gz GEFPDIBGPHHBIM-HNNXBMFYSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)C[C@H]1COCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878106262 614227918 /nfs/dbraw/zinc/22/79/18/614227918.db2.gz GEFPDIBGPHHBIM-HNNXBMFYSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[NH+](C)CC1 ZINC000809936472 614237417 /nfs/dbraw/zinc/23/74/17/614237417.db2.gz BRHIXQIDIVGUOA-AWEZNQCLSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972427155 614281111 /nfs/dbraw/zinc/28/11/11/614281111.db2.gz UTFPEZHBUMDZMA-LBPRGKRZSA-N 2 2 250.346 0.893 20 0 CCADLP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972427155 614281112 /nfs/dbraw/zinc/28/11/12/614281112.db2.gz UTFPEZHBUMDZMA-LBPRGKRZSA-N 2 2 250.346 0.893 20 0 CCADLP CC(C)(C(=O)N1CC[NH+](CCO)CC1)[NH+]1CCCCC1 ZINC000906046424 614291858 /nfs/dbraw/zinc/29/18/58/614291858.db2.gz FMKVWUSMQRXFMR-UHFFFAOYSA-N 2 2 283.416 0.387 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H]2CO)CC1 ZINC000934024029 614325672 /nfs/dbraw/zinc/32/56/72/614325672.db2.gz NXSWQGMMYJFAKB-CYBMUJFWSA-N 2 2 269.389 0.042 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H]2CO)CC1 ZINC000934024029 614325677 /nfs/dbraw/zinc/32/56/77/614325677.db2.gz NXSWQGMMYJFAKB-CYBMUJFWSA-N 2 2 269.389 0.042 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000864595077 614325959 /nfs/dbraw/zinc/32/59/59/614325959.db2.gz JEBZZPHPOHPYOX-ONEGZZNKSA-N 2 2 295.427 0.864 20 0 CCADLP CCN(C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1)[C@H]1CC[NH2+]C1 ZINC000891527260 614603692 /nfs/dbraw/zinc/60/36/92/614603692.db2.gz HMNVPDMOIVTQCL-KBPBESRZSA-N 2 2 297.447 0.016 20 0 CCADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1C[NH+](C[C@H](C)O)C1 ZINC000950063692 614618807 /nfs/dbraw/zinc/61/88/07/614618807.db2.gz OCTIJLVPPSBJOX-ZFWWWQNUSA-N 2 2 297.443 0.773 20 0 CCADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C1C[NH+](C[C@H](C)O)C1 ZINC000950063692 614618809 /nfs/dbraw/zinc/61/88/09/614618809.db2.gz OCTIJLVPPSBJOX-ZFWWWQNUSA-N 2 2 297.443 0.773 20 0 CCADLP CC1(C)C[N@H+](CCCO)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941247138 614636799 /nfs/dbraw/zinc/63/67/99/614636799.db2.gz DJPGJSPOGYOGEQ-ZDUSSCGKSA-N 2 2 294.399 0.482 20 0 CCADLP CC1(C)C[N@@H+](CCCO)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941247138 614636801 /nfs/dbraw/zinc/63/68/01/614636801.db2.gz DJPGJSPOGYOGEQ-ZDUSSCGKSA-N 2 2 294.399 0.482 20 0 CCADLP CC1(C)CNC(=O)[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000895319046 614696376 /nfs/dbraw/zinc/69/63/76/614696376.db2.gz CFIFVOOKJAQUOK-CHWSQXEVSA-N 2 2 281.400 0.354 20 0 CCADLP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H](O)CO)CC1 ZINC000931466834 614705763 /nfs/dbraw/zinc/70/57/63/614705763.db2.gz YHEZIJQBCIMKRJ-CYBMUJFWSA-N 2 2 256.390 0.680 20 0 CCADLP CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000960627840 614830594 /nfs/dbraw/zinc/83/05/94/614830594.db2.gz DMBOZCZSNIFAGR-RZFFKMDDSA-N 2 2 288.395 0.902 20 0 CCADLP CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000960627840 614830596 /nfs/dbraw/zinc/83/05/96/614830596.db2.gz DMBOZCZSNIFAGR-RZFFKMDDSA-N 2 2 288.395 0.902 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2nccn2C)C1 ZINC000846878229 614851089 /nfs/dbraw/zinc/85/10/89/614851089.db2.gz GDIHWAWSXXHNQV-ZIAGYGMSSA-N 2 2 280.416 0.912 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2nccn2C)C1 ZINC000846878229 614851091 /nfs/dbraw/zinc/85/10/91/614851091.db2.gz GDIHWAWSXXHNQV-ZIAGYGMSSA-N 2 2 280.416 0.912 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000846878229 614851093 /nfs/dbraw/zinc/85/10/93/614851093.db2.gz GDIHWAWSXXHNQV-ZIAGYGMSSA-N 2 2 280.416 0.912 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000846878229 614851096 /nfs/dbraw/zinc/85/10/96/614851096.db2.gz GDIHWAWSXXHNQV-ZIAGYGMSSA-N 2 2 280.416 0.912 20 0 CCADLP CC[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000960941958 614856361 /nfs/dbraw/zinc/85/63/61/614856361.db2.gz VJAZFQSBTWXYDU-NSHDSACASA-N 2 2 250.346 0.895 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000960941958 614856364 /nfs/dbraw/zinc/85/63/64/614856364.db2.gz VJAZFQSBTWXYDU-NSHDSACASA-N 2 2 250.346 0.895 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(Cc2noc(C)n2)CC1 ZINC000932246076 614865875 /nfs/dbraw/zinc/86/58/75/614865875.db2.gz GNULXOYMVLCXHH-AWEZNQCLSA-N 2 2 296.415 0.945 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(Cc2noc(C)n2)CC1 ZINC000932246076 614865878 /nfs/dbraw/zinc/86/58/78/614865878.db2.gz GNULXOYMVLCXHH-AWEZNQCLSA-N 2 2 296.415 0.945 20 0 CCADLP CCCOC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000842478711 614932037 /nfs/dbraw/zinc/93/20/37/614932037.db2.gz NSQAYLAAJUVXPS-AAEUAGOBSA-N 2 2 295.387 0.715 20 0 CCADLP CCCOC(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000842478711 614932039 /nfs/dbraw/zinc/93/20/39/614932039.db2.gz NSQAYLAAJUVXPS-AAEUAGOBSA-N 2 2 295.387 0.715 20 0 CCADLP CC[NH+](CC)CCC[N@@H+]1CCC(OC)(OC)[C@@H](O)C1 ZINC000931632848 614991644 /nfs/dbraw/zinc/99/16/44/614991644.db2.gz BWMOJBOLOPLCPE-ZDUSSCGKSA-N 2 2 274.405 0.774 20 0 CCADLP CC[NH+](CC)CCC[N@H+]1CCC(OC)(OC)[C@@H](O)C1 ZINC000931632848 614991646 /nfs/dbraw/zinc/99/16/46/614991646.db2.gz BWMOJBOLOPLCPE-ZDUSSCGKSA-N 2 2 274.405 0.774 20 0 CCADLP CC[NH+](CC)CCC[N@@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880567120 614991886 /nfs/dbraw/zinc/99/18/86/614991886.db2.gz VZWIEIUSBGXVMT-CYBMUJFWSA-N 2 2 258.362 0.328 20 0 CCADLP CC[NH+](CC)CCC[N@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880567120 614991889 /nfs/dbraw/zinc/99/18/89/614991889.db2.gz VZWIEIUSBGXVMT-CYBMUJFWSA-N 2 2 258.362 0.328 20 0 CCADLP CCN(CC[NH3+])C(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000861512733 615046763 /nfs/dbraw/zinc/04/67/63/615046763.db2.gz RMRRUDHAPKJNPY-UHFFFAOYSA-N 2 2 293.371 0.202 20 0 CCADLP CC[NH2+]CCCNC(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000911687489 615085875 /nfs/dbraw/zinc/08/58/75/615085875.db2.gz GYGUTSDZAWOHNZ-ZIAGYGMSSA-N 2 2 285.432 0.992 20 0 CCADLP CC[NH2+]CCCNC(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000911687489 615085877 /nfs/dbraw/zinc/08/58/77/615085877.db2.gz GYGUTSDZAWOHNZ-ZIAGYGMSSA-N 2 2 285.432 0.992 20 0 CCADLP CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000970440778 615094608 /nfs/dbraw/zinc/09/46/08/615094608.db2.gz WGDRGSJHYUEQQL-CYZMBNFOSA-N 2 2 276.384 0.980 20 0 CCADLP CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000969980526 615094737 /nfs/dbraw/zinc/09/47/37/615094737.db2.gz KVKKEOMWGBCPEV-RYUDHWBXSA-N 2 2 276.384 0.902 20 0 CCADLP CC[N@@H+]1CCCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000982087531 615103960 /nfs/dbraw/zinc/10/39/60/615103960.db2.gz VSANEGLGPOUBJD-UHFFFAOYSA-N 2 2 262.357 0.897 20 0 CCADLP CC[N@H+]1CCCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000982087531 615103962 /nfs/dbraw/zinc/10/39/62/615103962.db2.gz VSANEGLGPOUBJD-UHFFFAOYSA-N 2 2 262.357 0.897 20 0 CCADLP CC[N@@H+]1CCCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000982036985 615104131 /nfs/dbraw/zinc/10/41/31/615104131.db2.gz WVWFCMKFIUGSBR-UHFFFAOYSA-N 2 2 262.357 0.897 20 0 CCADLP CC[N@H+]1CCCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000982036985 615104132 /nfs/dbraw/zinc/10/41/32/615104132.db2.gz WVWFCMKFIUGSBR-UHFFFAOYSA-N 2 2 262.357 0.897 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865702588 615113036 /nfs/dbraw/zinc/11/30/36/615113036.db2.gz OUKPWCVAFLJQAI-ZQMJAJRESA-N 2 2 295.427 0.865 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865702588 615113038 /nfs/dbraw/zinc/11/30/38/615113038.db2.gz OUKPWCVAFLJQAI-ZQMJAJRESA-N 2 2 295.427 0.865 20 0 CCADLP CC[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000981356009 615115760 /nfs/dbraw/zinc/11/57/60/615115760.db2.gz BOJQZJJSANHJNO-MNOVXSKESA-N 2 2 250.346 0.989 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000970008472 615119510 /nfs/dbraw/zinc/11/95/10/615119510.db2.gz YKYWYCXKYCHSMS-IJLUTSLNSA-N 2 2 262.357 0.734 20 0 CCADLP CC[N@@H+]1CCC[C@@H](C[NH2+]C2CC(S(C)(=O)=O)C2)C1 ZINC000892743249 615123485 /nfs/dbraw/zinc/12/34/85/615123485.db2.gz LXTMEEBFXFGYIP-HIFPTAJRSA-N 2 2 274.430 0.884 20 0 CCADLP CC[N@H+]1CCC[C@@H](C[NH2+]C2CC(S(C)(=O)=O)C2)C1 ZINC000892743249 615123486 /nfs/dbraw/zinc/12/34/86/615123486.db2.gz LXTMEEBFXFGYIP-HIFPTAJRSA-N 2 2 274.430 0.884 20 0 CCADLP CC[NH2+][C@H](C)[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CCO1 ZINC000979448604 615131363 /nfs/dbraw/zinc/13/13/63/615131363.db2.gz QQLRCXPACDFLTG-DGCLKSJQSA-N 2 2 280.372 0.486 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000900009489 615132361 /nfs/dbraw/zinc/13/23/61/615132361.db2.gz JHQJPLQKQWUBFU-QKXCFHHRSA-N 2 2 295.427 0.865 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000900009489 615132363 /nfs/dbraw/zinc/13/23/63/615132363.db2.gz JHQJPLQKQWUBFU-QKXCFHHRSA-N 2 2 295.427 0.865 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCO[C@@H](C)CC2)CC1 ZINC000932351262 615152323 /nfs/dbraw/zinc/15/23/23/615152323.db2.gz TXLMWBATICIRSO-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCO[C@@H](C)CC2)CC1 ZINC000932351262 615152324 /nfs/dbraw/zinc/15/23/24/615152324.db2.gz TXLMWBATICIRSO-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+]1CCN(c2ccc(-c3noc(C[NH3+])n3)cn2)CC1 ZINC000822957075 615162614 /nfs/dbraw/zinc/16/26/14/615162614.db2.gz WDHSXKXCDZCXJW-UHFFFAOYSA-N 2 2 288.355 0.732 20 0 CCADLP CCOC(=O)C1=CC[C@H]([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000863544596 615166324 /nfs/dbraw/zinc/16/63/24/615166324.db2.gz YZGYMJQICOTJIU-ZNMIVQPWSA-N 2 2 294.395 0.995 20 0 CCADLP CCOC(=O)C[N@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903751734 615190619 /nfs/dbraw/zinc/19/06/19/615190619.db2.gz IRAOCDBSKXUSDE-HIFRSBDPSA-N 2 2 282.384 0.783 20 0 CCADLP CCOC(=O)C[N@@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903751734 615190622 /nfs/dbraw/zinc/19/06/22/615190622.db2.gz IRAOCDBSKXUSDE-HIFRSBDPSA-N 2 2 282.384 0.783 20 0 CCADLP CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H]2C[NH2+]CCOC2)C1 ZINC000925646445 615229175 /nfs/dbraw/zinc/22/91/75/615229175.db2.gz UVQNPYMQWDNCDU-HZSPNIEDSA-N 2 2 299.415 0.821 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000883271507 615249521 /nfs/dbraw/zinc/24/95/21/615249521.db2.gz OHADMWGRKPIJFU-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000883271507 615249524 /nfs/dbraw/zinc/24/95/24/615249524.db2.gz OHADMWGRKPIJFU-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP CC[NH+]1CC[C@@H]1CNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000883271507 615249526 /nfs/dbraw/zinc/24/95/26/615249526.db2.gz OHADMWGRKPIJFU-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP CC[NH+]1CC[C@@H]1CNC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000883271507 615249528 /nfs/dbraw/zinc/24/95/28/615249528.db2.gz OHADMWGRKPIJFU-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000968544346 615261152 /nfs/dbraw/zinc/26/11/52/615261152.db2.gz MDGAVIFVZBYNPO-AAEUAGOBSA-N 2 2 264.373 0.809 20 0 CCADLP CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000968544346 615261154 /nfs/dbraw/zinc/26/11/54/615261154.db2.gz MDGAVIFVZBYNPO-AAEUAGOBSA-N 2 2 264.373 0.809 20 0 CCADLP CCOCCOCC[N@@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000923413635 615275468 /nfs/dbraw/zinc/27/54/68/615275468.db2.gz WRLMLOPJKJXPMD-CHWSQXEVSA-N 2 2 260.378 0.478 20 0 CCADLP CCOCCOCC[N@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000923413635 615275469 /nfs/dbraw/zinc/27/54/69/615275469.db2.gz WRLMLOPJKJXPMD-CHWSQXEVSA-N 2 2 260.378 0.478 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000882960876 615327902 /nfs/dbraw/zinc/32/79/02/615327902.db2.gz YFPMZARKWCKMEQ-QWRGUYRKSA-N 2 2 265.361 0.775 20 0 CCADLP CC[N@H+]1CC[C@H]1CNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000882960876 615327905 /nfs/dbraw/zinc/32/79/05/615327905.db2.gz YFPMZARKWCKMEQ-QWRGUYRKSA-N 2 2 265.361 0.775 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872288 615346380 /nfs/dbraw/zinc/34/63/80/615346380.db2.gz OJXAKIGWXAZCLI-CYBMUJFWSA-N 2 2 289.445 0.391 20 0 CCADLP CCS(=O)(=O)NCC[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872288 615346383 /nfs/dbraw/zinc/34/63/83/615346383.db2.gz OJXAKIGWXAZCLI-CYBMUJFWSA-N 2 2 289.445 0.391 20 0 CCADLP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ncccn2)C1)[NH+](C)C ZINC000969991946 615374512 /nfs/dbraw/zinc/37/45/12/615374512.db2.gz PUKXVZJOMWFPEK-OLZOCXBDSA-N 2 2 291.399 0.507 20 0 CCADLP CC[C@@H](C(=O)NCC[C@@H]1CC[NH2+]C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911769559 615380817 /nfs/dbraw/zinc/38/08/17/615380817.db2.gz VHLSHYJIDCDPJD-ZNMIVQPWSA-N 2 2 297.443 0.992 20 0 CCADLP CC[C@@H](C(=O)NCC[C@@H]1CC[NH2+]C1)[N@H+]1CCO[C@H](CC)C1 ZINC000911769559 615380818 /nfs/dbraw/zinc/38/08/18/615380818.db2.gz VHLSHYJIDCDPJD-ZNMIVQPWSA-N 2 2 297.443 0.992 20 0 CCADLP CCO[C@@H](CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C[NH+](C)C ZINC000926854958 615407512 /nfs/dbraw/zinc/40/75/12/615407512.db2.gz QBEKIFFGGJHJNX-YPMHNXCESA-N 2 2 295.387 0.074 20 0 CCADLP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000960633389 615440116 /nfs/dbraw/zinc/44/01/16/615440116.db2.gz ZOMAFIYDIANHBE-SCUASFONSA-N 2 2 274.368 0.512 20 0 CCADLP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000960633389 615440119 /nfs/dbraw/zinc/44/01/19/615440119.db2.gz ZOMAFIYDIANHBE-SCUASFONSA-N 2 2 274.368 0.512 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[NH+](CC)CC1 ZINC000925570411 615477822 /nfs/dbraw/zinc/47/78/22/615477822.db2.gz FAWOONZIIOXTGK-AWEZNQCLSA-N 2 2 298.431 0.444 20 0 CCADLP CC[C@@H](CO)Nc1cc(N(C)CC2C[NH+](C)C2)nc[nH+]1 ZINC000894541222 615491262 /nfs/dbraw/zinc/49/12/62/615491262.db2.gz VLBVSDBLMIJZPR-LBPRGKRZSA-N 2 2 279.388 0.657 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923316154 615540007 /nfs/dbraw/zinc/54/00/07/615540007.db2.gz SRJPTHGBJQEKBL-VXGBXAGGSA-N 2 2 290.429 0.120 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923316154 615540008 /nfs/dbraw/zinc/54/00/08/615540008.db2.gz SRJPTHGBJQEKBL-VXGBXAGGSA-N 2 2 290.429 0.120 20 0 CCADLP CC[C@H](C(=O)NCC[C@H]1CC[NH2+]C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911769554 615565235 /nfs/dbraw/zinc/56/52/35/615565235.db2.gz VHLSHYJIDCDPJD-RBSFLKMASA-N 2 2 297.443 0.992 20 0 CCADLP CC[C@H](C(=O)NCC[C@H]1CC[NH2+]C1)[N@H+]1CCO[C@H](CC)C1 ZINC000911769554 615565236 /nfs/dbraw/zinc/56/52/36/615565236.db2.gz VHLSHYJIDCDPJD-RBSFLKMASA-N 2 2 297.443 0.992 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)[C@H]2CN(C)CC[NH+]2C)CC[N@@H+]1C ZINC000896533216 615585039 /nfs/dbraw/zinc/58/50/39/615585039.db2.gz GHLDDGSMQITDBV-BYNSBNAKSA-N 2 2 296.459 0.467 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)[C@H]2CN(C)CC[NH+]2C)CC[N@H+]1C ZINC000896533216 615585040 /nfs/dbraw/zinc/58/50/40/615585040.db2.gz GHLDDGSMQITDBV-BYNSBNAKSA-N 2 2 296.459 0.467 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)CC[NH+]1C ZINC000896533216 615585041 /nfs/dbraw/zinc/58/50/41/615585041.db2.gz GHLDDGSMQITDBV-BYNSBNAKSA-N 2 2 296.459 0.467 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)CC[NH+]1C ZINC000896533216 615585042 /nfs/dbraw/zinc/58/50/42/615585042.db2.gz GHLDDGSMQITDBV-BYNSBNAKSA-N 2 2 296.459 0.467 20 0 CCADLP CC[C@H](C(=O)N[C@@H](CO)c1c[nH+]cn1C)[NH+](CC)CC ZINC000912615732 615608038 /nfs/dbraw/zinc/60/80/38/615608038.db2.gz VBIMEEXDTBSASC-NWDGAFQWSA-N 2 2 282.388 0.690 20 0 CCADLP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000866665389 615609383 /nfs/dbraw/zinc/60/93/83/615609383.db2.gz CLLJVCZBVGEDHZ-ZIAGYGMSSA-N 2 2 279.384 0.964 20 0 CCADLP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000866665389 615609384 /nfs/dbraw/zinc/60/93/84/615609384.db2.gz CLLJVCZBVGEDHZ-ZIAGYGMSSA-N 2 2 279.384 0.964 20 0 CCADLP CCn1c[nH+]c2c1CCN(C[C@H](O)C[NH+]1CCCC1)C2 ZINC000933261092 615629585 /nfs/dbraw/zinc/62/95/85/615629585.db2.gz ANOYAEFALOTWKP-CYBMUJFWSA-N 2 2 278.400 0.718 20 0 CCADLP CCn1c[nH+]c2c1CCN(C[C@H](O)C[N@H+](C)C1CC1)C2 ZINC000933256235 615629765 /nfs/dbraw/zinc/62/97/65/615629765.db2.gz XRRZQKPZRBWBJR-CYBMUJFWSA-N 2 2 278.400 0.716 20 0 CCADLP CCn1c[nH+]c2c1CCN(C[C@H](O)C[N@@H+](C)C1CC1)C2 ZINC000933256235 615629767 /nfs/dbraw/zinc/62/97/67/615629767.db2.gz XRRZQKPZRBWBJR-CYBMUJFWSA-N 2 2 278.400 0.716 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC000928648191 615714437 /nfs/dbraw/zinc/71/44/37/615714437.db2.gz LMTINQDJTHMJQO-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=S)NCC[NH+](C)C ZINC000905656980 615719570 /nfs/dbraw/zinc/71/95/70/615719570.db2.gz VYXVYNVQPAEUKB-GFCCVEGCSA-N 2 2 288.461 0.123 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000925680945 615727815 /nfs/dbraw/zinc/72/78/15/615727815.db2.gz LKNUGWZHUXSKGH-MXWKQRLJSA-N 2 2 263.407 0.044 20 0 CCADLP CC[C@H](CO)Nc1cc(NC[C@](C)(O)C[NH+](C)C)[nH+]cn1 ZINC000892955268 615739315 /nfs/dbraw/zinc/73/93/15/615739315.db2.gz IAVWAOWCNXBXKO-RISCZKNCSA-N 2 2 297.403 0.384 20 0 CCADLP CC[C@H](CO)Nc1cc(NC[C@](C)(O)C[NH+](C)C)nc[nH+]1 ZINC000892955268 615739316 /nfs/dbraw/zinc/73/93/16/615739316.db2.gz IAVWAOWCNXBXKO-RISCZKNCSA-N 2 2 297.403 0.384 20 0 CCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913540892 615777874 /nfs/dbraw/zinc/77/78/74/615777874.db2.gz AKERJIMYTQTHPK-QWHCGFSZSA-N 2 2 294.399 0.532 20 0 CCADLP C[NH+](C)C1(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)CCC1 ZINC000804333379 615843505 /nfs/dbraw/zinc/84/35/05/615843505.db2.gz IJOMUWCBJMMCLN-LLVKDONJSA-N 2 2 262.357 0.798 20 0 CCADLP C[NH+](C)C1(CNC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000913876405 615848493 /nfs/dbraw/zinc/84/84/93/615848493.db2.gz AADIAYIJCSVWFZ-UHFFFAOYSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+](C)CC(C)(C)CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864610792 615867422 /nfs/dbraw/zinc/86/74/22/615867422.db2.gz UFWLBCMKASMYEH-WAYWQWQTSA-N 2 2 283.416 0.579 20 0 CCADLP C[NH+](C)CC1(C(=O)N[C@H]2CCC[N@H+](CCF)C2)CC1 ZINC000898503903 615871001 /nfs/dbraw/zinc/87/10/01/615871001.db2.gz YLWYYRIZOVTFIH-LBPRGKRZSA-N 2 2 271.380 0.878 20 0 CCADLP C[NH+](C)CC1(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)CC1 ZINC000898503903 615871004 /nfs/dbraw/zinc/87/10/04/615871004.db2.gz YLWYYRIZOVTFIH-LBPRGKRZSA-N 2 2 271.380 0.878 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H](O)c1ccccc1 ZINC000855414344 615879484 /nfs/dbraw/zinc/87/94/84/615879484.db2.gz BTLVLJVANOCJEN-OAHLLOKOSA-N 2 2 293.411 0.720 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H](O)c1ccccc1 ZINC000855414344 615879486 /nfs/dbraw/zinc/87/94/86/615879486.db2.gz BTLVLJVANOCJEN-OAHLLOKOSA-N 2 2 293.411 0.720 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnsn1 ZINC000855417299 615879886 /nfs/dbraw/zinc/87/98/86/615879886.db2.gz XHIJFYFUGMXORG-UHFFFAOYSA-N 2 2 271.390 0.151 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnsn1 ZINC000855417299 615879888 /nfs/dbraw/zinc/87/98/88/615879888.db2.gz XHIJFYFUGMXORG-UHFFFAOYSA-N 2 2 271.390 0.151 20 0 CCADLP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC[NH2+]CC1 ZINC000911691675 615886612 /nfs/dbraw/zinc/88/66/12/615886612.db2.gz CQKYZUMKDGKHSA-NSHDSACASA-N 2 2 262.357 0.656 20 0 CCADLP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CCn3c[nH+]cc32)n1 ZINC000857979725 615917886 /nfs/dbraw/zinc/91/78/86/615917886.db2.gz ZSCPAVCDPWXPQH-NSHDSACASA-N 2 2 288.355 0.516 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000877434832 615923414 /nfs/dbraw/zinc/92/34/14/615923414.db2.gz VHRNNVWUPHNZQZ-STQMWFEESA-N 2 2 267.373 0.261 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000877434832 615923416 /nfs/dbraw/zinc/92/34/16/615923416.db2.gz VHRNNVWUPHNZQZ-STQMWFEESA-N 2 2 267.373 0.261 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000877433691 615927446 /nfs/dbraw/zinc/92/74/46/615927446.db2.gz HHRNBBKMHPXSFB-QWHCGFSZSA-N 2 2 283.416 0.602 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000877433691 615927447 /nfs/dbraw/zinc/92/74/47/615927447.db2.gz HHRNBBKMHPXSFB-QWHCGFSZSA-N 2 2 283.416 0.602 20 0 CCADLP C[NH+](C)C[C@H](N)C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000876733135 615943587 /nfs/dbraw/zinc/94/35/87/615943587.db2.gz PLAHCKCYBSIVRM-LBPRGKRZSA-N 2 2 291.330 0.839 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCO[C@H]2CCOC2)C1 ZINC000930902622 615952570 /nfs/dbraw/zinc/95/25/70/615952570.db2.gz DBRJMKGSMUIIMK-UONOGXRCSA-N 2 2 272.389 0.180 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCO[C@H]2CCOC2)C1 ZINC000930902622 615952571 /nfs/dbraw/zinc/95/25/71/615952571.db2.gz DBRJMKGSMUIIMK-UONOGXRCSA-N 2 2 272.389 0.180 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000878867037 615952580 /nfs/dbraw/zinc/95/25/80/615952580.db2.gz ZGMWWUOOLVWRKS-XJKSGUPXSA-N 2 2 296.411 0.861 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000878867037 615952582 /nfs/dbraw/zinc/95/25/82/615952582.db2.gz ZGMWWUOOLVWRKS-XJKSGUPXSA-N 2 2 296.411 0.861 20 0 CCADLP CC[C@](O)(C[NH2+]C[C@H](O)C[NH+]1CCCC1)C(F)(F)F ZINC000905346018 615968650 /nfs/dbraw/zinc/96/86/50/615968650.db2.gz POWQWPZMZCEAPD-QWRGUYRKSA-N 2 2 284.322 0.736 20 0 CCADLP CN(C)C(=O)N(C)[C@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000852653551 615979356 /nfs/dbraw/zinc/97/93/56/615979356.db2.gz WDMUPTAEADNTQX-UONOGXRCSA-N 2 2 298.431 0.131 20 0 CCADLP CN(C)C(=O)N(C)[C@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000852653551 615979358 /nfs/dbraw/zinc/97/93/58/615979358.db2.gz WDMUPTAEADNTQX-UONOGXRCSA-N 2 2 298.431 0.131 20 0 CCADLP C[NH+](C)[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC000912599660 615983565 /nfs/dbraw/zinc/98/35/65/615983565.db2.gz JPNIQHUSVWUGBS-VXGBXAGGSA-N 2 2 262.357 0.872 20 0 CCADLP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000867812950 615992214 /nfs/dbraw/zinc/99/22/14/615992214.db2.gz OLZRTMQKOXNODH-JQWIXIFHSA-N 2 2 266.345 0.386 20 0 CCADLP CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)O1 ZINC000925629877 616000900 /nfs/dbraw/zinc/00/09/00/616000900.db2.gz MCVRQFJNQOGFPC-RWMBFGLXSA-N 2 2 281.400 0.496 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1)CC(C)(C)C ZINC000913458552 616044219 /nfs/dbraw/zinc/04/42/19/616044219.db2.gz PXCBGDSZOBRRNN-ZDUSSCGKSA-N 2 2 293.415 0.861 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1)CC(C)(C)C ZINC000913458552 616044220 /nfs/dbraw/zinc/04/42/20/616044220.db2.gz PXCBGDSZOBRRNN-ZDUSSCGKSA-N 2 2 293.415 0.861 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1)CC(C)(C)C ZINC000913458551 616044319 /nfs/dbraw/zinc/04/43/19/616044319.db2.gz PXCBGDSZOBRRNN-CYBMUJFWSA-N 2 2 293.415 0.861 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1)CC(C)(C)C ZINC000913458551 616044320 /nfs/dbraw/zinc/04/43/20/616044320.db2.gz PXCBGDSZOBRRNN-CYBMUJFWSA-N 2 2 293.415 0.861 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870879749 616089653 /nfs/dbraw/zinc/08/96/53/616089653.db2.gz MJLVDMAWTWAGOT-UHFFFAOYSA-N 2 2 281.400 0.309 20 0 CCADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923326036 616122670 /nfs/dbraw/zinc/12/26/70/616122670.db2.gz XGBBCCYXRINNPP-CRWXNKLISA-N 3 2 255.406 0.643 20 0 CCADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923326036 616122672 /nfs/dbraw/zinc/12/26/72/616122672.db2.gz XGBBCCYXRINNPP-CRWXNKLISA-N 3 2 255.406 0.643 20 0 CCADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923326036 616122673 /nfs/dbraw/zinc/12/26/73/616122673.db2.gz XGBBCCYXRINNPP-CRWXNKLISA-N 3 2 255.406 0.643 20 0 CCADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923326036 616122675 /nfs/dbraw/zinc/12/26/75/616122675.db2.gz XGBBCCYXRINNPP-CRWXNKLISA-N 3 2 255.406 0.643 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1C[C@@H](O)CC(C)(C)C1)C1CC1 ZINC000879624706 616131582 /nfs/dbraw/zinc/13/15/82/616131582.db2.gz ZNXFGSVJXWHRBQ-QWHCGFSZSA-N 2 2 256.390 0.534 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1C[C@@H](O)CC(C)(C)C1)C1CC1 ZINC000879624706 616131583 /nfs/dbraw/zinc/13/15/83/616131583.db2.gz ZNXFGSVJXWHRBQ-QWHCGFSZSA-N 2 2 256.390 0.534 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1C[C@@H](O)CC(C)(C)C1)C1CC1 ZINC000879624706 616131584 /nfs/dbraw/zinc/13/15/84/616131584.db2.gz ZNXFGSVJXWHRBQ-QWHCGFSZSA-N 2 2 256.390 0.534 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1C[C@@H](O)CC(C)(C)C1)C1CC1 ZINC000879624706 616131585 /nfs/dbraw/zinc/13/15/85/616131585.db2.gz ZNXFGSVJXWHRBQ-QWHCGFSZSA-N 2 2 256.390 0.534 20 0 CCADLP C[N@H+](C[C@@H]1CCS(=O)(=O)C1)C[C@]1(C)CCC[NH2+]C1 ZINC000904340337 616145383 /nfs/dbraw/zinc/14/53/83/616145383.db2.gz HKQJYYYEOQOXNP-QWHCGFSZSA-N 2 2 274.430 0.743 20 0 CCADLP C[N@@H+](C[C@@H]1CCS(=O)(=O)C1)C[C@]1(C)CCC[NH2+]C1 ZINC000904340337 616145385 /nfs/dbraw/zinc/14/53/85/616145385.db2.gz HKQJYYYEOQOXNP-QWHCGFSZSA-N 2 2 274.430 0.743 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)COC3CC3)C2)CC1 ZINC000878823932 616172342 /nfs/dbraw/zinc/17/23/42/616172342.db2.gz MNIMKQVIICUSHB-GFCCVEGCSA-N 2 2 281.400 0.450 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)COC3CC3)C2)CC1 ZINC000878823932 616172343 /nfs/dbraw/zinc/17/23/43/616172343.db2.gz MNIMKQVIICUSHB-GFCCVEGCSA-N 2 2 281.400 0.450 20 0 CCADLP C[NH+]1CCC(N2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)CC1 ZINC000874462613 616172425 /nfs/dbraw/zinc/17/24/25/616172425.db2.gz VNWGEOODSMDGBZ-CQSZACIVSA-N 2 2 294.443 0.367 20 0 CCADLP C[NH+]1CCC(OCC(=O)NCC(C)(C)n2cc[nH+]c2)CC1 ZINC000825531167 616175271 /nfs/dbraw/zinc/17/52/71/616175271.db2.gz IDZAFTLJJNITAT-UHFFFAOYSA-N 2 2 294.399 0.845 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903782662 616199341 /nfs/dbraw/zinc/19/93/41/616199341.db2.gz QCHAROTUFIABOC-CAOSSQGBSA-N 3 2 279.428 0.924 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903782662 616199342 /nfs/dbraw/zinc/19/93/42/616199342.db2.gz QCHAROTUFIABOC-CAOSSQGBSA-N 3 2 279.428 0.924 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903782662 616199343 /nfs/dbraw/zinc/19/93/43/616199343.db2.gz QCHAROTUFIABOC-CAOSSQGBSA-N 3 2 279.428 0.924 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903782662 616199344 /nfs/dbraw/zinc/19/93/44/616199344.db2.gz QCHAROTUFIABOC-CAOSSQGBSA-N 3 2 279.428 0.924 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@H](O)CC(C)(C)O ZINC000880140161 616200726 /nfs/dbraw/zinc/20/07/26/616200726.db2.gz FHDNSPUXVRVNQG-JHJVBQTASA-N 2 2 256.390 0.677 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@H](O)CC(C)(C)O ZINC000880140161 616200727 /nfs/dbraw/zinc/20/07/27/616200727.db2.gz FHDNSPUXVRVNQG-JHJVBQTASA-N 2 2 256.390 0.677 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](O)CC(C)(C)O ZINC000880140161 616200728 /nfs/dbraw/zinc/20/07/28/616200728.db2.gz FHDNSPUXVRVNQG-JHJVBQTASA-N 2 2 256.390 0.677 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@H](O)CC(C)(C)O ZINC000880140161 616200729 /nfs/dbraw/zinc/20/07/29/616200729.db2.gz FHDNSPUXVRVNQG-JHJVBQTASA-N 2 2 256.390 0.677 20 0 CCADLP C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000908423655 616202822 /nfs/dbraw/zinc/20/28/22/616202822.db2.gz WUNROVAUXPQDFN-CQSZACIVSA-N 2 2 262.357 0.897 20 0 CCADLP C[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000908423655 616202823 /nfs/dbraw/zinc/20/28/23/616202823.db2.gz WUNROVAUXPQDFN-CQSZACIVSA-N 2 2 262.357 0.897 20 0 CCADLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000452621984 616208892 /nfs/dbraw/zinc/20/88/92/616208892.db2.gz LUGDCBVADCVAMH-AGIUHOORSA-N 2 2 267.373 0.012 20 0 CCADLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000452621984 616208893 /nfs/dbraw/zinc/20/88/93/616208893.db2.gz LUGDCBVADCVAMH-AGIUHOORSA-N 2 2 267.373 0.012 20 0 CCADLP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000452621984 616208894 /nfs/dbraw/zinc/20/88/94/616208894.db2.gz LUGDCBVADCVAMH-AGIUHOORSA-N 2 2 267.373 0.012 20 0 CCADLP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000452621984 616208895 /nfs/dbraw/zinc/20/88/95/616208895.db2.gz LUGDCBVADCVAMH-AGIUHOORSA-N 2 2 267.373 0.012 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCF)CC1(C)C ZINC000972857350 616212230 /nfs/dbraw/zinc/21/22/30/616212230.db2.gz GIPTYKHCYUOQCS-NWDGAFQWSA-N 2 2 271.380 0.877 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCF)CC1(C)C ZINC000972857350 616212231 /nfs/dbraw/zinc/21/22/31/616212231.db2.gz GIPTYKHCYUOQCS-NWDGAFQWSA-N 2 2 271.380 0.877 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCF)CC1(C)C ZINC000972857350 616212232 /nfs/dbraw/zinc/21/22/32/616212232.db2.gz GIPTYKHCYUOQCS-NWDGAFQWSA-N 2 2 271.380 0.877 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCF)CC1(C)C ZINC000972857350 616212233 /nfs/dbraw/zinc/21/22/33/616212233.db2.gz GIPTYKHCYUOQCS-NWDGAFQWSA-N 2 2 271.380 0.877 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000872029196 616223668 /nfs/dbraw/zinc/22/36/68/616223668.db2.gz OYTUTZCUUZWCCF-KGLIPLIRSA-N 2 2 297.443 0.944 20 0 CCADLP C[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000925141662 616226326 /nfs/dbraw/zinc/22/63/26/616226326.db2.gz UFHRFGCNKWLLFR-STQMWFEESA-N 2 2 298.456 0.523 20 0 CCADLP C[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000925141662 616226327 /nfs/dbraw/zinc/22/63/27/616226327.db2.gz UFHRFGCNKWLLFR-STQMWFEESA-N 2 2 298.456 0.523 20 0 CCADLP C[N@@H+]1CCN(Cc2cccnc2Cl)[C@H](C[NH3+])C1 ZINC000122757418 616245646 /nfs/dbraw/zinc/24/56/46/616245646.db2.gz VMMMDCYQNOJGTO-LLVKDONJSA-N 2 2 254.765 0.810 20 0 CCADLP C[N@H+]1CCN(Cc2cccnc2Cl)[C@H](C[NH3+])C1 ZINC000122757418 616245647 /nfs/dbraw/zinc/24/56/47/616245647.db2.gz VMMMDCYQNOJGTO-LLVKDONJSA-N 2 2 254.765 0.810 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CC2CC2)C1 ZINC000959939320 616251325 /nfs/dbraw/zinc/25/13/25/616251325.db2.gz VJRQHOKUWSWQHM-LSDHHAIUSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CC2CC2)C1 ZINC000959939320 616251326 /nfs/dbraw/zinc/25/13/26/616251326.db2.gz VJRQHOKUWSWQHM-LSDHHAIUSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@@H+]1CC[C@@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000928555056 616288727 /nfs/dbraw/zinc/28/87/27/616288727.db2.gz RUPIPKNYAIXKDU-GFCCVEGCSA-N 2 2 262.357 0.582 20 0 CCADLP C[N@H+]1CC[C@@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000928555056 616288730 /nfs/dbraw/zinc/28/87/30/616288730.db2.gz RUPIPKNYAIXKDU-GFCCVEGCSA-N 2 2 262.357 0.582 20 0 CCADLP C[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000928553101 616299671 /nfs/dbraw/zinc/29/96/71/616299671.db2.gz DSMDEUOZGJHPDC-LLVKDONJSA-N 2 2 278.356 0.704 20 0 CCADLP C[N@H+]1CC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000928553101 616299673 /nfs/dbraw/zinc/29/96/73/616299673.db2.gz DSMDEUOZGJHPDC-LLVKDONJSA-N 2 2 278.356 0.704 20 0 CCADLP C[N@@H+]1CC[C@@H]2C[NH+](CCN3CCNC3=O)CC[C@H]21 ZINC000879581337 616334268 /nfs/dbraw/zinc/33/42/68/616334268.db2.gz YMOFMANRFXDVPS-VXGBXAGGSA-N 2 2 252.362 0.038 20 0 CCADLP C[N@H+]1CC[C@@H]2C[NH+](CCN3CCNC3=O)CC[C@H]21 ZINC000879581337 616334273 /nfs/dbraw/zinc/33/42/73/616334273.db2.gz YMOFMANRFXDVPS-VXGBXAGGSA-N 2 2 252.362 0.038 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@H+](CCN3CCNC3=O)CC[C@H]21 ZINC000879581337 616334278 /nfs/dbraw/zinc/33/42/78/616334278.db2.gz YMOFMANRFXDVPS-VXGBXAGGSA-N 2 2 252.362 0.038 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@@H+](CCN3CCNC3=O)CC[C@H]21 ZINC000879581337 616334283 /nfs/dbraw/zinc/33/42/83/616334283.db2.gz YMOFMANRFXDVPS-VXGBXAGGSA-N 2 2 252.362 0.038 20 0 CCADLP CN(C)C(=O)c1cccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1 ZINC000921997961 616350599 /nfs/dbraw/zinc/35/05/99/616350599.db2.gz BHAFYBTWHRQIDO-MRXNPFEDSA-N 2 2 291.395 0.545 20 0 CCADLP CN(C)C(=O)c1cccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000921997961 616350604 /nfs/dbraw/zinc/35/06/04/616350604.db2.gz BHAFYBTWHRQIDO-MRXNPFEDSA-N 2 2 291.395 0.545 20 0 CCADLP COCC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000950491006 616359746 /nfs/dbraw/zinc/35/97/46/616359746.db2.gz GUSBGILBDROLNB-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP COCC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000950491006 616359751 /nfs/dbraw/zinc/35/97/51/616359751.db2.gz GUSBGILBDROLNB-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)NC[C@H]2CC[NH+]2C)C[C@@H]1C ZINC000925405367 616361479 /nfs/dbraw/zinc/36/14/79/616361479.db2.gz GANSLMZOEQFHGM-QWHCGFSZSA-N 2 2 284.404 0.053 20 0 CCADLP COCC[N@H+]1CCN(C(=O)NC[C@H]2CC[NH+]2C)C[C@@H]1C ZINC000925405367 616361486 /nfs/dbraw/zinc/36/14/86/616361486.db2.gz GANSLMZOEQFHGM-QWHCGFSZSA-N 2 2 284.404 0.053 20 0 CCADLP COCC[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C)C[C@@H]1C ZINC000925405367 616361488 /nfs/dbraw/zinc/36/14/88/616361488.db2.gz GANSLMZOEQFHGM-QWHCGFSZSA-N 2 2 284.404 0.053 20 0 CCADLP COCC[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+]2C)C[C@@H]1C ZINC000925405367 616361493 /nfs/dbraw/zinc/36/14/93/616361493.db2.gz GANSLMZOEQFHGM-QWHCGFSZSA-N 2 2 284.404 0.053 20 0 CCADLP C[N@@H+]1CC[C@H]1CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000921628883 616428815 /nfs/dbraw/zinc/42/88/15/616428815.db2.gz GZFBKVFPMCXAEM-STQMWFEESA-N 2 2 289.383 0.664 20 0 CCADLP C[N@H+]1CC[C@H]1CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000921628883 616428817 /nfs/dbraw/zinc/42/88/17/616428817.db2.gz GZFBKVFPMCXAEM-STQMWFEESA-N 2 2 289.383 0.664 20 0 CCADLP COC(=O)[C@@H]1[C@@H](C[NH2+]C[C@@H](C)[NH+](C)C)C1(F)F ZINC000894392417 616505561 /nfs/dbraw/zinc/50/55/61/616505561.db2.gz NROFKARSGCAHFO-HLTSFMKQSA-N 2 2 250.289 0.580 20 0 CCADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892613892 616518738 /nfs/dbraw/zinc/51/87/38/616518738.db2.gz HJYJZOXQZMIDDL-KCQAQPDRSA-N 2 2 286.379 0.929 20 0 CCADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892613892 616518741 /nfs/dbraw/zinc/51/87/41/616518741.db2.gz HJYJZOXQZMIDDL-KCQAQPDRSA-N 2 2 286.379 0.929 20 0 CCADLP COC(=O)CN(C)C(=O)CC[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931726524 616584198 /nfs/dbraw/zinc/58/41/98/616584198.db2.gz ICYQFFUTMQVRIP-OLZOCXBDSA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)CN(C)C(=O)CC[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931726524 616584200 /nfs/dbraw/zinc/58/42/00/616584200.db2.gz ICYQFFUTMQVRIP-OLZOCXBDSA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)CN(C)C(=O)CC[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931726524 616584204 /nfs/dbraw/zinc/58/42/04/616584204.db2.gz ICYQFFUTMQVRIP-OLZOCXBDSA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)CN(C)C(=O)CC[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931726524 616584208 /nfs/dbraw/zinc/58/42/08/616584208.db2.gz ICYQFFUTMQVRIP-OLZOCXBDSA-N 2 2 297.399 0.176 20 0 CCADLP COCCS(=O)(=O)CCC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000843362489 616606391 /nfs/dbraw/zinc/60/63/91/616606391.db2.gz JNBLRFFTWBSOEU-RYUDHWBXSA-N 2 2 278.418 0.107 20 0 CCADLP COCCS(=O)(=O)CCC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000843362489 616606393 /nfs/dbraw/zinc/60/63/93/616606393.db2.gz JNBLRFFTWBSOEU-RYUDHWBXSA-N 2 2 278.418 0.107 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000923398732 616627237 /nfs/dbraw/zinc/62/72/37/616627237.db2.gz LOSJVHLZFLWNCS-YNEHKIRRSA-N 2 2 272.389 0.273 20 0 CCADLP CO[C@@H]1CC[C@@H]([NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000851863028 616687113 /nfs/dbraw/zinc/68/71/13/616687113.db2.gz JHSWHZBUMWFEJL-KFWWJZLASA-N 2 2 295.427 0.968 20 0 CCADLP CO[C@@H]1CC[C@@H]([NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000851863028 616687115 /nfs/dbraw/zinc/68/71/15/616687115.db2.gz JHSWHZBUMWFEJL-KFWWJZLASA-N 2 2 295.427 0.968 20 0 CCADLP COC(=O)[C@H]1[C@@H](C[N@H+](C)CCC[NH+](C)C)C1(F)F ZINC000894765362 616732284 /nfs/dbraw/zinc/73/22/84/616732284.db2.gz ZUPHLPVZFDVOHN-NXEZZACHSA-N 2 2 264.316 0.924 20 0 CCADLP COC(=O)[C@H]1[C@@H](C[N@@H+](C)CCC[NH+](C)C)C1(F)F ZINC000894765362 616732285 /nfs/dbraw/zinc/73/22/85/616732285.db2.gz ZUPHLPVZFDVOHN-NXEZZACHSA-N 2 2 264.316 0.924 20 0 CCADLP COC(=O)[C@H]1[C@@H](C[NH2+]C[C@H](C)[NH+](C)C)C1(F)F ZINC000894911905 616734306 /nfs/dbraw/zinc/73/43/06/616734306.db2.gz NROFKARSGCAHFO-DJLDLDEBSA-N 2 2 250.289 0.580 20 0 CCADLP COC(=O)[C@H]1[C@H](C[NH2+]CC[NH+]2CCCC2)C1(F)F ZINC000894382732 616738545 /nfs/dbraw/zinc/73/85/45/616738545.db2.gz ZXYQSEPKHRPOJW-VHSXEESVSA-N 2 2 262.300 0.726 20 0 CCADLP CO[C@@H]1C[N@H+](C[C@@H](O)COCC(C)C)[C@](C)(C[NH3+])C1 ZINC000923410429 616773580 /nfs/dbraw/zinc/77/35/80/616773580.db2.gz HLXZSIBBFFEOKW-RDBSUJKOSA-N 2 2 274.405 0.458 20 0 CCADLP CO[C@@H]1C[N@@H+](C[C@@H](O)COCC(C)C)[C@](C)(C[NH3+])C1 ZINC000923410429 616773585 /nfs/dbraw/zinc/77/35/85/616773585.db2.gz HLXZSIBBFFEOKW-RDBSUJKOSA-N 2 2 274.405 0.458 20 0 CCADLP COCC1(C[NH2+][C@@H]2C[NH2+]CCOC2)CCOCC1 ZINC000925672612 616774732 /nfs/dbraw/zinc/77/47/32/616774732.db2.gz IOGYPXFJXGIABC-GFCCVEGCSA-N 2 2 258.362 0.008 20 0 CCADLP COC[C@@H](C)[NH+]1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000948770873 616805283 /nfs/dbraw/zinc/80/52/83/616805283.db2.gz HNEYBVUIRANYLM-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP COC[C@@H](C)[NH+]1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000948770873 616805289 /nfs/dbraw/zinc/80/52/89/616805289.db2.gz HNEYBVUIRANYLM-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP COCc1nc(NCC[NH+]2CCC([NH3+])CC2)cc(OC)n1 ZINC000905704449 616938131 /nfs/dbraw/zinc/93/81/31/616938131.db2.gz ANRMAAYQDHYVIV-UHFFFAOYSA-N 2 2 295.387 0.467 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886873877 616987591 /nfs/dbraw/zinc/98/75/91/616987591.db2.gz AAQQKEAAEYHBPH-KGLIPLIRSA-N 3 2 255.406 0.422 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886873877 616987594 /nfs/dbraw/zinc/98/75/94/616987594.db2.gz AAQQKEAAEYHBPH-KGLIPLIRSA-N 3 2 255.406 0.422 20 0 CCADLP C[NH2+]C[C@H](O)C[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000843080422 616993195 /nfs/dbraw/zinc/99/31/95/616993195.db2.gz IMNDOEXDPCOVDB-GZMMTYOYSA-N 2 2 260.284 0.168 20 0 CCADLP CON(C)C(=O)CC[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880135928 617009075 /nfs/dbraw/zinc/00/90/75/617009075.db2.gz BYZQUUHQCDZMGU-VXGBXAGGSA-N 2 2 255.362 0.565 20 0 CCADLP CON(C)C(=O)CC[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880135928 617009079 /nfs/dbraw/zinc/00/90/79/617009079.db2.gz BYZQUUHQCDZMGU-VXGBXAGGSA-N 2 2 255.362 0.565 20 0 CCADLP CON(C)C(=O)CC[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880135928 617009085 /nfs/dbraw/zinc/00/90/85/617009085.db2.gz BYZQUUHQCDZMGU-VXGBXAGGSA-N 2 2 255.362 0.565 20 0 CCADLP CON(C)C(=O)CC[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880135928 617009089 /nfs/dbraw/zinc/00/90/89/617009089.db2.gz BYZQUUHQCDZMGU-VXGBXAGGSA-N 2 2 255.362 0.565 20 0 CCADLP CON(C)C(=O)[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000858580673 617068727 /nfs/dbraw/zinc/06/87/27/617068727.db2.gz UDSKVOQVYORPQP-GXTWGEPZSA-N 2 2 299.415 0.628 20 0 CCADLP CON(C)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858319375 617070423 /nfs/dbraw/zinc/07/04/23/617070423.db2.gz IFGYSQYBLNNNSC-WDEREUQCSA-N 2 2 257.378 0.857 20 0 CCADLP CON(C)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858319375 617070427 /nfs/dbraw/zinc/07/04/27/617070427.db2.gz IFGYSQYBLNNNSC-WDEREUQCSA-N 2 2 257.378 0.857 20 0 CCADLP CON1CC[C@H]([NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000930601547 617097913 /nfs/dbraw/zinc/09/79/13/617097913.db2.gz IGTIVBOIAQOEFM-JSGCOSHPSA-N 2 2 267.373 0.566 20 0 CCADLP CON1CC[C@H]([N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000930601547 617097907 /nfs/dbraw/zinc/09/79/07/617097907.db2.gz IGTIVBOIAQOEFM-JSGCOSHPSA-N 2 2 267.373 0.566 20 0 CCADLP CON1CC[C@H]([N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000930601547 617097909 /nfs/dbraw/zinc/09/79/09/617097909.db2.gz IGTIVBOIAQOEFM-JSGCOSHPSA-N 2 2 267.373 0.566 20 0 CCADLP CON1CC[C@H]([NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)C1=O ZINC000930601547 617097911 /nfs/dbraw/zinc/09/79/11/617097911.db2.gz IGTIVBOIAQOEFM-JSGCOSHPSA-N 2 2 267.373 0.566 20 0 CCADLP CON1CC[C@H]([N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000930055657 617099167 /nfs/dbraw/zinc/09/91/67/617099167.db2.gz QCHBHRBLVNRHEI-AGIUHOORSA-N 2 2 278.356 0.928 20 0 CCADLP CON1CC[C@H]([N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000930055657 617099168 /nfs/dbraw/zinc/09/91/68/617099168.db2.gz QCHBHRBLVNRHEI-AGIUHOORSA-N 2 2 278.356 0.928 20 0 CCADLP COc1c(C)c[nH+]c(CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])c1C ZINC000852864196 617145624 /nfs/dbraw/zinc/14/56/24/617145624.db2.gz ZGVXSXPYPUKWJC-YPMHNXCESA-N 2 2 293.367 0.687 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2CC[C@H]([NH2+]CCO)[C@@H]2C1 ZINC001026254876 625377983 /nfs/dbraw/zinc/37/79/83/625377983.db2.gz YFSJZEQKXHJMMX-XQQFMLRXSA-N 2 2 292.383 0.161 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000925549517 625403574 /nfs/dbraw/zinc/40/35/74/625403574.db2.gz MDYJHPGJXFTOQV-RDBSUJKOSA-N 3 2 254.422 0.352 20 0 CCADLP CS(=O)(=O)C1(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CCC1 ZINC000925663222 625483139 /nfs/dbraw/zinc/48/31/39/625483139.db2.gz QGSACSMKUQHHBV-NWBUJAPZSA-N 2 2 284.425 0.540 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+]Cc2ccccn2)C1 ZINC001022774649 622742622 /nfs/dbraw/zinc/74/26/22/622742622.db2.gz ACSTZTBRWDUDBY-BETUJISGSA-N 2 2 285.351 0.784 20 0 CCADLP CC(C)[C@H](CNC(=[NH2+])NC1CC1)[NH+]1CCN(C)CC1 ZINC000052043317 622850029 /nfs/dbraw/zinc/85/00/29/622850029.db2.gz ADDCWPBAHJVAQD-ZDUSSCGKSA-N 2 2 267.421 0.535 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@@H]([NH2+]CCF)C1 ZINC001023025205 622886260 /nfs/dbraw/zinc/88/62/60/622886260.db2.gz ZTRNVZPLHIVETE-AOOOYVTPSA-N 2 2 254.309 0.467 20 0 CCADLP COCC[C@@H]([NH3+])C(=O)Nc1cccnc1-n1cc[nH+]c1C ZINC000052808076 623485527 /nfs/dbraw/zinc/48/55/27/623485527.db2.gz QSHWNMYHFFQPQQ-LLVKDONJSA-N 2 2 289.339 0.878 20 0 CCADLP C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@H]1C[NH3+] ZINC000310938620 623603748 /nfs/dbraw/zinc/60/37/48/623603748.db2.gz WCLCXXHZHWZSGD-MCIONIFRSA-N 3 2 255.406 0.360 20 0 CCADLP C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@H]1C[NH3+] ZINC000310938620 623603752 /nfs/dbraw/zinc/60/37/52/623603752.db2.gz WCLCXXHZHWZSGD-MCIONIFRSA-N 3 2 255.406 0.360 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000314257253 623893923 /nfs/dbraw/zinc/89/39/23/623893923.db2.gz ZZOXVLJGUIBNGM-HOTGVXAUSA-N 3 2 299.459 0.390 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000314257253 623893927 /nfs/dbraw/zinc/89/39/27/623893927.db2.gz ZZOXVLJGUIBNGM-HOTGVXAUSA-N 3 2 299.459 0.390 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1C[NH+](CCF)C1 ZINC000969409318 624498060 /nfs/dbraw/zinc/49/80/60/624498060.db2.gz AJBFWDNNJHCEDI-JQWIXIFHSA-N 2 2 257.353 0.487 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1C[NH+](CCF)C1 ZINC000969409318 624498061 /nfs/dbraw/zinc/49/80/61/624498061.db2.gz AJBFWDNNJHCEDI-JQWIXIFHSA-N 2 2 257.353 0.487 20 0 CCADLP C[C@@H]1CC[C@H](C[NH2+][C@H]2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)O1 ZINC001020637498 624556656 /nfs/dbraw/zinc/55/66/56/624556656.db2.gz VPCQKQAEPCWGSX-HKUMRIAESA-N 2 2 292.383 0.757 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+]Cc2cncs2)C1 ZINC001020637327 624556798 /nfs/dbraw/zinc/55/67/98/624556798.db2.gz RFNYGKJHJZOCBU-MGCOHNPYSA-N 2 2 291.380 0.846 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH2+][C@H]2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)O1 ZINC001020637497 624556841 /nfs/dbraw/zinc/55/68/41/624556841.db2.gz VPCQKQAEPCWGSX-BYNQJWBRSA-N 2 2 292.383 0.757 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC001020819425 624606244 /nfs/dbraw/zinc/60/62/44/624606244.db2.gz YTBLJDFGNJNODY-JHJVBQTASA-N 2 2 292.383 0.758 20 0 CCADLP CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001021080847 624658974 /nfs/dbraw/zinc/65/89/74/624658974.db2.gz QHKYJHCCHIKBRV-IHRRRGAJSA-N 2 2 281.400 0.354 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+]Cc2ccns2)C1 ZINC000970340884 624678704 /nfs/dbraw/zinc/67/87/04/624678704.db2.gz GRKVCHFHJSQWGM-SNVBAGLBSA-N 2 2 291.380 0.799 20 0 CCADLP O=C(C[NH+]1CCCC1)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC000970717247 624737568 /nfs/dbraw/zinc/73/75/68/624737568.db2.gz MEFNXDGQLXAQLB-LLVKDONJSA-N 2 2 295.412 0.324 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+]C[C@H]2CCOC2)C1 ZINC000970857811 624772093 /nfs/dbraw/zinc/77/20/93/624772093.db2.gz KPYXQKLVZQFRPL-CHWSQXEVSA-N 2 2 278.356 0.110 20 0 CCADLP Cn1ccnc1C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000970857827 624773008 /nfs/dbraw/zinc/77/30/08/624773008.db2.gz LSDKTDDWAFTUPA-GFCCVEGCSA-N 2 2 288.355 0.007 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000891507027 624880839 /nfs/dbraw/zinc/88/08/39/624880839.db2.gz OPXLFXIFZCIFIR-VXGBXAGGSA-N 2 2 284.404 0.228 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000891507027 624880840 /nfs/dbraw/zinc/88/08/40/624880840.db2.gz OPXLFXIFZCIFIR-VXGBXAGGSA-N 2 2 284.404 0.228 20 0 CCADLP C[C@H](NC(=O)NCc1cc(N)cc[nH+]1)[C@H]1C[N@H+](C)CCO1 ZINC000891698206 624907696 /nfs/dbraw/zinc/90/76/96/624907696.db2.gz NAVRSMONYOPVJW-GXFFZTMASA-N 2 2 293.371 0.182 20 0 CCADLP C[C@H](NC(=O)NCc1cc(N)cc[nH+]1)[C@H]1C[N@@H+](C)CCO1 ZINC000891698206 624907699 /nfs/dbraw/zinc/90/76/99/624907699.db2.gz NAVRSMONYOPVJW-GXFFZTMASA-N 2 2 293.371 0.182 20 0 CCADLP [NH3+]C[C@H]1CCCCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000891820035 624937307 /nfs/dbraw/zinc/93/73/07/624937307.db2.gz VFSXUPLCJJNJOD-VXGBXAGGSA-N 2 2 277.372 0.721 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000891820355 624937342 /nfs/dbraw/zinc/93/73/42/624937342.db2.gz XZTHLLSUQCKTLS-VWYCJHECSA-N 2 2 263.345 0.329 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H](C[NH2+]Cc2ccon2)C1 ZINC001027245739 625765870 /nfs/dbraw/zinc/76/58/70/625765870.db2.gz CRCYFGKZYSODTN-GFCCVEGCSA-N 2 2 289.339 0.509 20 0 CCADLP O=C1CCC(=O)N1CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903469451 634572947 /nfs/dbraw/zinc/57/29/47/634572947.db2.gz VCSJMAPBRVXVQJ-JTQLQIEISA-N 2 2 251.330 0.010 20 0 CCADLP C[C@@H]1CN(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)CCO1 ZINC000903483013 634577726 /nfs/dbraw/zinc/57/77/26/634577726.db2.gz AZVLKAAWNWQSNM-ZIAGYGMSSA-N 2 2 267.417 0.971 20 0 CCADLP C[C@H]1CCN(C(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC000903564977 634608997 /nfs/dbraw/zinc/60/89/97/634608997.db2.gz AYHBUVBNJAIJAV-NSHDSACASA-N 2 2 254.378 0.461 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C2(C[NH3+])CCOCC2)CCO1 ZINC000903809541 634657007 /nfs/dbraw/zinc/65/70/07/634657007.db2.gz CWAXOUOSZBBOKI-CYBMUJFWSA-N 2 2 271.405 0.147 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C2(C[NH3+])CCOCC2)CCO1 ZINC000903809541 634657009 /nfs/dbraw/zinc/65/70/09/634657009.db2.gz CWAXOUOSZBBOKI-CYBMUJFWSA-N 2 2 271.405 0.147 20 0 CCADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cnn1C ZINC000903908141 634682805 /nfs/dbraw/zinc/68/28/05/634682805.db2.gz DKLQYALACOHBTJ-AEGPPILISA-N 2 2 278.400 0.709 20 0 CCADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cnn1C ZINC000903908141 634682811 /nfs/dbraw/zinc/68/28/11/634682811.db2.gz DKLQYALACOHBTJ-AEGPPILISA-N 2 2 278.400 0.709 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000903918757 634685888 /nfs/dbraw/zinc/68/58/88/634685888.db2.gz HDQNQESWDGWOIO-FRRDWIJNSA-N 3 2 278.404 0.433 20 0 CCADLP Cn1cc(N2CC[NH+](C[C@@]3(C)CCC[NH2+]C3)CC2)cn1 ZINC000904320800 634726728 /nfs/dbraw/zinc/72/67/28/634726728.db2.gz PJLLPEHKNTZSFM-HNNXBMFYSA-N 2 2 277.416 0.932 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CCn2cc[nH+]c2C1)C1(O)CCC1 ZINC000905220298 634824669 /nfs/dbraw/zinc/82/46/69/634824669.db2.gz WPYKHTFWJUUFQV-GHMZBOCLSA-N 2 2 251.330 0.063 20 0 CCADLP C[N@H+](CCO)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001027649715 630832868 /nfs/dbraw/zinc/83/28/68/630832868.db2.gz RRYSBWCYXYMKPF-GFCCVEGCSA-N 2 2 294.399 0.602 20 0 CCADLP C[N@@H+](CCO)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001027649715 630832873 /nfs/dbraw/zinc/83/28/73/630832873.db2.gz RRYSBWCYXYMKPF-GFCCVEGCSA-N 2 2 294.399 0.602 20 0 CCADLP Cc1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cnc1F ZINC000893607244 631024952 /nfs/dbraw/zinc/02/49/52/631024952.db2.gz WNZRBTMIJQSUGK-CYBMUJFWSA-N 2 2 253.321 0.685 20 0 CCADLP Cc1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cnc1F ZINC000893607244 631024956 /nfs/dbraw/zinc/02/49/56/631024956.db2.gz WNZRBTMIJQSUGK-CYBMUJFWSA-N 2 2 253.321 0.685 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000982143402 631379241 /nfs/dbraw/zinc/37/92/41/631379241.db2.gz VQRMIPHJBDJPOQ-CHWSQXEVSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@@H](O)C[N@H+]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000982143402 631379248 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291.399 0.999 20 0 CCADLP C[C@@H](O)CNc1cc(NC[C@H]2CC[N@H+]2C)nc[nH+]1 ZINC000895772210 632151959 /nfs/dbraw/zinc/15/19/59/632151959.db2.gz XZWIWNXDOJPZJZ-NXEZZACHSA-N 2 2 251.334 0.385 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000897791117 633242082 /nfs/dbraw/zinc/24/20/82/633242082.db2.gz CYNUEMXQCPZJTQ-UHFFFAOYSA-N 2 2 278.356 0.147 20 0 CCADLP O=C(N[C@H]1CCn2c[nH+]cc2C1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000898098451 633278767 /nfs/dbraw/zinc/27/87/67/633278767.db2.gz ZARHDGYPPAVQFZ-QWHCGFSZSA-N 2 2 290.367 0.035 20 0 CCADLP CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC000989678027 633343477 /nfs/dbraw/zinc/34/34/77/633343477.db2.gz BZSFKPRDWQQHRR-VXGBXAGGSA-N 2 2 264.373 0.952 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[N@H+](C[C@@H]2CCOC2)CC1 ZINC000989787684 633354750 /nfs/dbraw/zinc/35/47/50/633354750.db2.gz UHTRAQDAMHVBTP-AWEZNQCLSA-N 2 2 292.383 0.454 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[N@@H+](C[C@@H]2CCOC2)CC1 ZINC000989787684 633354752 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C[C@H]([C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C)[NH+]1CCOCC1 ZINC000917016007 637941679 /nfs/dbraw/zinc/94/16/79/637941679.db2.gz QKPUKDZLGQAKAF-RFQIPJPRSA-N 2 2 298.431 0.487 20 0 CCADLP C[C@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCC[N@@H+]1CCCO ZINC000994510196 637956754 /nfs/dbraw/zinc/95/67/54/637956754.db2.gz SUCDWRATXUCNEK-QWHCGFSZSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCC[N@H+]1CCCO ZINC000994510196 637956758 /nfs/dbraw/zinc/95/67/58/637956758.db2.gz SUCDWRATXUCNEK-QWHCGFSZSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCN1CCOCC1(C)C ZINC000925477365 638123290 /nfs/dbraw/zinc/12/32/90/638123290.db2.gz JIELNNVVJOXQAO-QWHCGFSZSA-N 2 2 255.406 0.827 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=S)NC1CC1 ZINC000920995308 638156937 /nfs/dbraw/zinc/15/69/37/638156937.db2.gz LLTWRFPGKPJWRD-UHFFFAOYSA-N 2 2 284.473 0.981 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=S)NC1CC1 ZINC000920995308 638156944 /nfs/dbraw/zinc/15/69/44/638156944.db2.gz LLTWRFPGKPJWRD-UHFFFAOYSA-N 2 2 284.473 0.981 20 0 CCADLP C[C@@H]1C[N@H+](CCCO)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944154138 638763607 /nfs/dbraw/zinc/76/36/07/638763607.db2.gz KHYLEEPUKFUSEY-TZMCWYRMSA-N 2 2 294.399 0.172 20 0 CCADLP C[C@@H]1C[N@@H+](CCCO)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944154138 638763608 /nfs/dbraw/zinc/76/36/08/638763608.db2.gz KHYLEEPUKFUSEY-TZMCWYRMSA-N 2 2 294.399 0.172 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CCC([NH2+]CCF)CC1 ZINC000997236721 638860259 /nfs/dbraw/zinc/86/02/59/638860259.db2.gz LOAKGMIROZNAGS-UHFFFAOYSA-N 2 2 282.363 0.903 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000999323359 638974572 /nfs/dbraw/zinc/97/45/72/638974572.db2.gz PPZNEIUSAFGKOU-DGCLKSJQSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000999323359 638974574 /nfs/dbraw/zinc/97/45/74/638974574.db2.gz PPZNEIUSAFGKOU-DGCLKSJQSA-N 2 2 280.372 0.304 20 0 CCADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+](Cc2ccns2)C1 ZINC001016252908 639286206 /nfs/dbraw/zinc/28/62/06/639286206.db2.gz WDPCDGOFDPZEHP-GFCCVEGCSA-N 2 2 294.424 0.929 20 0 CCADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](Cc2ccns2)C1 ZINC001016252908 639286210 /nfs/dbraw/zinc/28/62/10/639286210.db2.gz WDPCDGOFDPZEHP-GFCCVEGCSA-N 2 2 294.424 0.929 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001003844269 639633749 /nfs/dbraw/zinc/63/37/49/639633749.db2.gz GATBAXGJHNBZHN-GFCCVEGCSA-N 2 2 292.383 0.569 20 0 CCADLP CC[C@@H](C[NH+]1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1)OC ZINC001003847816 639634695 /nfs/dbraw/zinc/63/46/95/639634695.db2.gz YYOBAGLQCNRDLD-ZDUSSCGKSA-N 2 2 294.399 0.958 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001015026794 650515649 /nfs/dbraw/zinc/51/56/49/650515649.db2.gz HDODNZZTVVGJBA-NSHDSACASA-N 2 2 280.372 0.949 20 0 CCADLP CC(C)[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001015026794 650515654 /nfs/dbraw/zinc/51/56/54/650515654.db2.gz HDODNZZTVVGJBA-NSHDSACASA-N 2 2 280.372 0.949 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1 ZINC000923291767 640072318 /nfs/dbraw/zinc/07/23/18/640072318.db2.gz FYSSZTANLDYCFA-STQMWFEESA-N 2 2 250.342 0.849 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1 ZINC000923291767 640072325 /nfs/dbraw/zinc/07/23/25/640072325.db2.gz FYSSZTANLDYCFA-STQMWFEESA-N 2 2 250.342 0.849 20 0 CCADLP C[C@H]([NH3+])[C@H]1C[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000923296281 640073884 /nfs/dbraw/zinc/07/38/84/640073884.db2.gz FDEYXBGJYNQLSH-LUGNKYPNSA-N 3 2 267.417 0.955 20 0 CCADLP C[C@H]([NH3+])[C@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000923296281 640073890 /nfs/dbraw/zinc/07/38/90/640073890.db2.gz FDEYXBGJYNQLSH-LUGNKYPNSA-N 3 2 267.417 0.955 20 0 CCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1 ZINC000923327463 640088231 /nfs/dbraw/zinc/08/82/31/640088231.db2.gz TWCNAEWMCHBLRQ-XUXIUFHCSA-N 3 2 276.384 0.666 20 0 CCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1 ZINC000923327463 640088238 /nfs/dbraw/zinc/08/82/38/640088238.db2.gz TWCNAEWMCHBLRQ-XUXIUFHCSA-N 3 2 276.384 0.666 20 0 CCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCO[C@H](Cc3ccccc3)C2)C1 ZINC000923373819 640109818 /nfs/dbraw/zinc/10/98/18/640109818.db2.gz SVQMXPJMSKIPNO-FZKCQIBNSA-N 2 2 276.380 0.781 20 0 CCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCO[C@H](Cc3ccccc3)C2)C1 ZINC000923373819 640109822 /nfs/dbraw/zinc/10/98/22/640109822.db2.gz SVQMXPJMSKIPNO-FZKCQIBNSA-N 2 2 276.380 0.781 20 0 CCADLP C[C@H]([NH3+])C[N@H+](C)C[C@@H](O)COc1ccc(F)cc1 ZINC000923412007 640127915 /nfs/dbraw/zinc/12/79/15/640127915.db2.gz VPEJQHGLLRRMGG-CMPLNLGQSA-N 2 2 256.321 0.844 20 0 CCADLP C[C@H]([NH3+])C[N@@H+](C)C[C@@H](O)COc1ccc(F)cc1 ZINC000923412007 640127921 /nfs/dbraw/zinc/12/79/21/640127921.db2.gz VPEJQHGLLRRMGG-CMPLNLGQSA-N 2 2 256.321 0.844 20 0 CCADLP C[C@H]([NH3+])C[N@H+](C)C[C@@H](O)COc1ccccc1F ZINC000923410192 640128630 /nfs/dbraw/zinc/12/86/30/640128630.db2.gz LCLQTBRTPLPQBA-WDEREUQCSA-N 2 2 256.321 0.844 20 0 CCADLP C[C@H]([NH3+])C[N@@H+](C)C[C@@H](O)COc1ccccc1F ZINC000923410192 640128642 /nfs/dbraw/zinc/12/86/42/640128642.db2.gz LCLQTBRTPLPQBA-WDEREUQCSA-N 2 2 256.321 0.844 20 0 CCADLP NC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923424441 640131224 /nfs/dbraw/zinc/13/12/24/640131224.db2.gz GAUYCXBLZLPIEJ-LLVKDONJSA-N 2 2 291.399 0.830 20 0 CCADLP NC(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923424441 640131233 /nfs/dbraw/zinc/13/12/33/640131233.db2.gz GAUYCXBLZLPIEJ-LLVKDONJSA-N 2 2 291.399 0.830 20 0 CCADLP O=C(CCN1CC[NH2+]CC[NH2+]CC1)NCC1CCCCC1 ZINC000923462530 640149430 /nfs/dbraw/zinc/14/94/30/640149430.db2.gz JXOLGMNPGOVSSH-UHFFFAOYSA-N 2 2 296.459 0.568 20 0 CCADLP CO[C@@H](C)C[NH+]1CCC(N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001006193001 640199502 /nfs/dbraw/zinc/19/95/02/640199502.db2.gz PVCXPBNQQTYZGM-LBPRGKRZSA-N 2 2 294.399 0.910 20 0 CCADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000813323648 641029652 /nfs/dbraw/zinc/02/96/52/641029652.db2.gz SPKPOJABXNGWKL-JTQLQIEISA-N 2 2 299.334 0.764 20 0 CCADLP C[C@H](C(=O)N1CC[NH2+][C@@H](c2ccc(O)cc2)C1)[NH+](C)C ZINC000825199147 641873555 /nfs/dbraw/zinc/87/35/55/641873555.db2.gz RQVZRGYEZKLQOY-BXUZGUMPSA-N 2 2 277.368 0.815 20 0 CCADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)CC[NH2+]C(C)(C)C ZINC000825530454 641893574 /nfs/dbraw/zinc/89/35/74/641893574.db2.gz DCTFPKHDGASQJL-SNVBAGLBSA-N 2 2 268.361 0.348 20 0 CCADLP Cc1cncc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001016393941 650723589 /nfs/dbraw/zinc/72/35/89/650723589.db2.gz HRSVXYFJAQUGLM-HNNXBMFYSA-N 2 2 299.378 0.977 20 0 CCADLP Cc1cncc(C[N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001016393941 650723595 /nfs/dbraw/zinc/72/35/95/650723595.db2.gz HRSVXYFJAQUGLM-HNNXBMFYSA-N 2 2 299.378 0.977 20 0 CCADLP Cc1cccn2cc(CCNC(=O)N[C@@H](C)C[NH3+])[nH+]c12 ZINC000841848880 642843641 /nfs/dbraw/zinc/84/36/41/642843641.db2.gz HZRYFZWMJZEHGF-NSHDSACASA-N 2 2 275.356 0.832 20 0 CCADLP COC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001018337184 650853436 /nfs/dbraw/zinc/85/34/36/650853436.db2.gz IMEIRXKSHOFNEF-MELADBBJSA-N 2 2 292.383 0.593 20 0 CCADLP COC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001018337184 650853445 /nfs/dbraw/zinc/85/34/45/650853445.db2.gz IMEIRXKSHOFNEF-MELADBBJSA-N 2 2 292.383 0.593 20 0 CCADLP Cn1nccc1[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000852746740 643993219 /nfs/dbraw/zinc/99/32/19/643993219.db2.gz RBOIEVFETVKBPD-STQMWFEESA-N 2 2 264.373 0.588 20 0 CCADLP Cn1nccc1[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000852746740 643993228 /nfs/dbraw/zinc/99/32/28/643993228.db2.gz RBOIEVFETVKBPD-STQMWFEESA-N 2 2 264.373 0.588 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000852847245 644020976 /nfs/dbraw/zinc/02/09/76/644020976.db2.gz QBGPYCMOVZLETQ-TUAOUCFPSA-N 2 2 269.389 0.352 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000852847245 644020983 /nfs/dbraw/zinc/02/09/83/644020983.db2.gz QBGPYCMOVZLETQ-TUAOUCFPSA-N 2 2 269.389 0.352 20 0 CCADLP C[C@@H]([NH2+]C1CC1)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000852846653 644021096 /nfs/dbraw/zinc/02/10/96/644021096.db2.gz JITAKQIMFFHJNN-GFCCVEGCSA-N 3 2 270.421 0.127 20 0 CCADLP C[C@@H]([NH2+]C1CC1)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000852846653 644021102 /nfs/dbraw/zinc/02/11/02/644021102.db2.gz JITAKQIMFFHJNN-GFCCVEGCSA-N 3 2 270.421 0.127 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C[C@@H]([NH3+])C2CC2)[C@@H](C)CO1 ZINC000852847927 644022381 /nfs/dbraw/zinc/02/23/81/644022381.db2.gz YZDYBRJWZFVJOQ-DMDPSCGWSA-N 2 2 269.389 0.339 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C[C@@H]([NH3+])C2CC2)[C@@H](C)CO1 ZINC000852847927 644022384 /nfs/dbraw/zinc/02/23/84/644022384.db2.gz YZDYBRJWZFVJOQ-DMDPSCGWSA-N 2 2 269.389 0.339 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000852853706 644024028 /nfs/dbraw/zinc/02/40/28/644024028.db2.gz ONOSLSNYNIHVCF-AAEUAGOBSA-N 2 2 267.373 0.060 20 0 CCADLP Cc1nonc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001018629052 650886378 /nfs/dbraw/zinc/88/63/78/650886378.db2.gz YHVRNYWQWJLCDO-WCQYABFASA-N 2 2 293.371 0.163 20 0 CCADLP Cc1nonc1C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001018629052 650886381 /nfs/dbraw/zinc/88/63/81/650886381.db2.gz YHVRNYWQWJLCDO-WCQYABFASA-N 2 2 293.371 0.163 20 0 CCADLP CC(C)[NH2+][C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001018784458 650907061 /nfs/dbraw/zinc/90/70/61/650907061.db2.gz KLLTVMSOHDJPJB-NSHDSACASA-N 2 2 250.346 0.941 20 0 CCADLP CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cnon2)C1)[NH+](C)C ZINC001019002486 650928989 /nfs/dbraw/zinc/92/89/89/650928989.db2.gz XXSHMSRXOCSCJF-AAEUAGOBSA-N 2 2 295.387 0.346 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001019061162 650934786 /nfs/dbraw/zinc/93/47/86/650934786.db2.gz SRIYWHBGNPZNCT-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP Cc1ncc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)s1 ZINC000858224301 644600509 /nfs/dbraw/zinc/60/05/09/644600509.db2.gz BFIATUQARSXPNE-LBPRGKRZSA-N 2 2 282.413 0.881 20 0 CCADLP Cc1ncc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)s1 ZINC000858224301 644600512 /nfs/dbraw/zinc/60/05/12/644600512.db2.gz BFIATUQARSXPNE-LBPRGKRZSA-N 2 2 282.413 0.881 20 0 CCADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CC[C@H]([NH2+]CCO)C1 ZINC001019365458 650966480 /nfs/dbraw/zinc/96/64/80/650966480.db2.gz BZCIXLFSLXPWRL-WDEREUQCSA-N 2 2 278.356 0.012 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001019721713 651000847 /nfs/dbraw/zinc/00/08/47/651000847.db2.gz VLCYTXNIEUFORO-NSHDSACASA-N 2 2 250.346 0.563 20 0 CCADLP O=C(/C=C\C[NH+]1CCOCC1)NCC12CCC[NH+]1CCC2 ZINC000867937375 645684887 /nfs/dbraw/zinc/68/48/87/645684887.db2.gz DRANTXSUDDCEMN-RJRFIUFISA-N 2 2 293.411 0.619 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000871600173 646157705 /nfs/dbraw/zinc/15/77/05/646157705.db2.gz KJPCCIGIMZXFAH-GXTWGEPZSA-N 2 2 277.372 0.857 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNc1cc[nH+]cc1C(N)=O ZINC000872771680 646321960 /nfs/dbraw/zinc/32/19/60/646321960.db2.gz KJAFOWPJMVLSDQ-NSHDSACASA-N 2 2 278.356 0.125 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNc1cc[nH+]cc1C(N)=O ZINC000872771680 646321966 /nfs/dbraw/zinc/32/19/66/646321966.db2.gz KJAFOWPJMVLSDQ-NSHDSACASA-N 2 2 278.356 0.125 20 0 CCADLP C[C@H](CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)[NH+]1CCCCC1 ZINC000875130006 646511142 /nfs/dbraw/zinc/51/11/42/646511142.db2.gz CKYXGSJMKVSXBZ-CHWSQXEVSA-N 2 2 291.399 0.981 20 0 CCADLP Cc1cc(CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)cc(C)[nH+]1 ZINC000923648923 646609953 /nfs/dbraw/zinc/60/99/53/646609953.db2.gz JXVSBGHTFQIEJK-CYBMUJFWSA-N 2 2 283.397 0.870 20 0 CCADLP [NH3+][C@H](CNC(=O)/C=C\C[NH+]1CCOCC1)c1ccccc1 ZINC000876524015 646618250 /nfs/dbraw/zinc/61/82/50/646618250.db2.gz IVLRGLQOCXWEBN-IJVDHGTGSA-N 2 2 289.379 0.691 20 0 CCADLP [NH3+]C[C@@H]1[C@H](C(=O)N2CCC(n3cc[nH+]c3)CC2)C1(F)F ZINC000876741584 646654780 /nfs/dbraw/zinc/65/47/80/646654780.db2.gz KURRYKYUNSPCGM-GHMZBOCLSA-N 2 2 284.310 0.887 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876781660 646662669 /nfs/dbraw/zinc/66/26/69/646662669.db2.gz ITFIWHFAGUIINH-JHJVBQTASA-N 2 2 282.432 0.112 20 0 CCADLP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CC[NH+](C)CC1 ZINC000876790140 646665075 /nfs/dbraw/zinc/66/50/75/646665075.db2.gz UODLKOMAMMEDRE-CYBMUJFWSA-N 2 2 291.399 0.504 20 0 CCADLP O=C(/C=C\C[NH+]1CCOCC1)NCCC[C@H]1CCC[NH2+]1 ZINC000876867154 646685563 /nfs/dbraw/zinc/68/55/63/646685563.db2.gz BFUCIPDIFWWUHS-JHAQOBCDSA-N 2 2 281.400 0.523 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000876866553 646686165 /nfs/dbraw/zinc/68/61/65/646686165.db2.gz URSMDKIVOXEKHT-VIFPVBQESA-N 2 2 258.272 0.374 20 0 CCADLP [NH3+]Cc1ccc(CNC(=O)/C=C/C[NH+]2CCOCC2)cc1 ZINC000876938702 646701792 /nfs/dbraw/zinc/70/17/92/646701792.db2.gz OEWOESDRILSFHW-OWOJBTEDSA-N 2 2 289.379 0.650 20 0 CCADLP Cc1cnc(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)o1 ZINC000877022917 646717948 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[NH3+][C@H](CC1CC1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000884405168 647729419 /nfs/dbraw/zinc/72/94/19/647729419.db2.gz JGKNMISAXJDEGN-CHWSQXEVSA-N 2 2 267.373 0.047 20 0 CCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cc(O)cc(F)c1 ZINC000924839390 648382969 /nfs/dbraw/zinc/38/29/69/648382969.db2.gz LXIOIWHRYAJZEO-LLVKDONJSA-N 2 2 295.358 0.956 20 0 CCADLP Cc1nonc1[C@@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000924959322 648391679 /nfs/dbraw/zinc/39/16/79/648391679.db2.gz DFMLTVJFQKKVAK-GHMZBOCLSA-N 2 2 267.377 0.665 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCNC(=O)c1ccco1 ZINC000925520413 648440979 /nfs/dbraw/zinc/44/09/79/648440979.db2.gz VGABDRBZOXFYNN-WDEREUQCSA-N 2 2 251.330 0.740 20 0 CCADLP C[C@]1(C[NH2+][C@H]2C[NH2+]CCOC2)CCO[C@@H]1C1CC1 ZINC000925639604 648449231 /nfs/dbraw/zinc/44/92/31/648449231.db2.gz CVNWZWTWAAXGCH-BFHYXJOUSA-N 2 2 254.374 0.770 20 0 CCADLP O=C(NCC[NH2+][C@H]1CC[NH2+]C12CCCC2)c1ccn[nH]1 ZINC000925630815 648449574 /nfs/dbraw/zinc/44/95/74/648449574.db2.gz DGCJEQCXSCWOOQ-LBPRGKRZSA-N 2 2 277.372 0.404 20 0 CCADLP O=C(NCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccn[nH]1 ZINC000926117718 648487379 /nfs/dbraw/zinc/48/73/79/648487379.db2.gz UUWMWVWHGBEQJQ-TZMCWYRMSA-N 2 2 291.399 0.746 20 0 CCADLP O=C(NCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccn[nH]1 ZINC000926117718 648487380 /nfs/dbraw/zinc/48/73/80/648487380.db2.gz UUWMWVWHGBEQJQ-TZMCWYRMSA-N 2 2 291.399 0.746 20 0 CCADLP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000926449375 648504224 /nfs/dbraw/zinc/50/42/24/648504224.db2.gz FYTCEBCUTBJJJN-OUAUKWLOSA-N 2 2 262.357 0.914 20 0 CCADLP O[C@@H]1CCN(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000926766453 648524923 /nfs/dbraw/zinc/52/49/23/648524923.db2.gz FCTYBUKGEOBYND-KFWWJZLASA-N 2 2 267.417 0.660 20 0 CCADLP O[C@@H]1CCN(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000926766453 648524929 /nfs/dbraw/zinc/52/49/29/648524929.db2.gz FCTYBUKGEOBYND-KFWWJZLASA-N 2 2 267.417 0.660 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928082396 648613991 /nfs/dbraw/zinc/61/39/91/648613991.db2.gz RALJOLDMHVYZCL-VXGBXAGGSA-N 2 2 280.397 0.579 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928082396 648614001 /nfs/dbraw/zinc/61/40/01/648614001.db2.gz RALJOLDMHVYZCL-VXGBXAGGSA-N 2 2 280.397 0.579 20 0 CCADLP O[C@H](C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C[C@]1(O)CCOC1 ZINC000929991366 648809765 /nfs/dbraw/zinc/80/97/65/648809765.db2.gz GBGBKAGDTDVXDQ-VNHYZAJKSA-N 2 2 295.383 0.492 20 0 CCADLP O[C@H](C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C[C@]1(O)CCOC1 ZINC000929991366 648809769 /nfs/dbraw/zinc/80/97/69/648809769.db2.gz GBGBKAGDTDVXDQ-VNHYZAJKSA-N 2 2 295.383 0.492 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CCOC2CC2)CC1 ZINC000930072558 648818064 /nfs/dbraw/zinc/81/80/64/648818064.db2.gz SBWFULSUNIYXIN-AWEZNQCLSA-N 2 2 281.400 0.580 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CCOC2CC2)CC1 ZINC000930072558 648818066 /nfs/dbraw/zinc/81/80/66/648818066.db2.gz SBWFULSUNIYXIN-AWEZNQCLSA-N 2 2 281.400 0.580 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H](O)C[C@]1(O)CCOC1 ZINC000930124204 648826902 /nfs/dbraw/zinc/82/69/02/648826902.db2.gz HJNMPYDJFRTHOG-UONOGXRCSA-N 2 2 283.372 0.107 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H](O)C[C@]1(O)CCOC1 ZINC000930124204 648826903 /nfs/dbraw/zinc/82/69/03/648826903.db2.gz HJNMPYDJFRTHOG-UONOGXRCSA-N 2 2 283.372 0.107 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@H]1CS(N)(=O)=O ZINC000931232023 648968545 /nfs/dbraw/zinc/96/85/45/648968545.db2.gz VQOCBYXZKYRZGV-LBPRGKRZSA-N 2 2 286.401 0.106 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@H]1CS(N)(=O)=O ZINC000931232023 648968549 /nfs/dbraw/zinc/96/85/49/648968549.db2.gz VQOCBYXZKYRZGV-LBPRGKRZSA-N 2 2 286.401 0.106 20 0 CCADLP C[C@H](O)[C@H](O)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000931706682 649020493 /nfs/dbraw/zinc/02/04/93/649020493.db2.gz HXUZMRAAXBSACN-NWANDNLSSA-N 2 2 275.352 0.956 20 0 CCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H](O)C1(O)CCOCC1 ZINC000931719312 649021354 /nfs/dbraw/zinc/02/13/54/649021354.db2.gz JOJBGFKRHBNGBD-BFHYXJOUSA-N 2 2 284.400 0.057 20 0 CCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H](O)C1(O)CCOCC1 ZINC000931719312 649021358 /nfs/dbraw/zinc/02/13/58/649021358.db2.gz JOJBGFKRHBNGBD-BFHYXJOUSA-N 2 2 284.400 0.057 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H](O)C1(O)CCOCC1 ZINC000931719312 649021364 /nfs/dbraw/zinc/02/13/64/649021364.db2.gz JOJBGFKRHBNGBD-BFHYXJOUSA-N 2 2 284.400 0.057 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H](O)C1(O)CCOCC1 ZINC000931719312 649021368 /nfs/dbraw/zinc/02/13/68/649021368.db2.gz JOJBGFKRHBNGBD-BFHYXJOUSA-N 2 2 284.400 0.057 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCC(CN2CCNC2=O)CC1 ZINC000933578981 649127528 /nfs/dbraw/zinc/12/75/28/649127528.db2.gz KTZWJZZLZAMDIM-UHFFFAOYSA-N 2 2 291.399 0.700 20 0 CCADLP CC[NH+](CC)CCC[NH2+][C@](C)(Cn1cccn1)C(N)=O ZINC000934221756 649162984 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CCADLP C[C@@H]1CN(C(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CCO1 ZINC000248003977 649724591 /nfs/dbraw/zinc/72/45/91/649724591.db2.gz KQHLHOMMWBJDSM-KFWWJZLASA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H](F)CC[NH+]1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000957330966 649744290 /nfs/dbraw/zinc/74/42/90/649744290.db2.gz RAICMPXXHOSSGU-GFCCVEGCSA-N 2 2 282.363 0.855 20 0 CCADLP CN(C)c1[nH+]cc(CNC[C@H]2C[N@@H+]3CCC[C@H]3CO2)n1C ZINC000252558688 649828710 /nfs/dbraw/zinc/82/87/10/649828710.db2.gz UTEVWCUEHGGVLH-JSGCOSHPSA-N 2 2 293.415 0.439 20 0 CCADLP CN(C)c1[nH+]cc(CNC[C@H]2C[N@H+]3CCC[C@H]3CO2)n1C ZINC000252558688 649828713 /nfs/dbraw/zinc/82/87/13/649828713.db2.gz UTEVWCUEHGGVLH-JSGCOSHPSA-N 2 2 293.415 0.439 20 0 CCADLP CCN(CC)c1cc(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)nc[nH+]1 ZINC001164674873 719415014 /nfs/dbraw/zinc/41/50/14/719415014.db2.gz XVARLANNAYGEAP-QWHCGFSZSA-N 2 2 291.399 0.842 20 0 CCADLP CCN(CC)c1cc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)nc[nH+]1 ZINC001164674873 719415021 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O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]CCOCC1CCC1 ZINC001167346934 790936308 /nfs/dbraw/zinc/93/63/08/790936308.db2.gz WSKGTAXAXHGZNY-UHFFFAOYSA-N 2 2 294.399 0.865 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]CCc1ccns1 ZINC001167349755 790944580 /nfs/dbraw/zinc/94/45/80/790944580.db2.gz FQXRNQSSHAMJDX-UHFFFAOYSA-N 2 2 293.396 0.747 20 0 CCADLP CCn1ccnc1C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167355416 790957025 /nfs/dbraw/zinc/95/70/25/790957025.db2.gz GOOXHMXFHIGHDX-UHFFFAOYSA-N 2 2 290.371 0.465 20 0 CCADLP COCCOCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](C)CC1 ZINC001277627208 805907373 /nfs/dbraw/zinc/90/73/73/805907373.db2.gz QDNOZGXEXASURJ-IYBDPMFKSA-N 2 2 297.443 0.850 20 0 CCADLP COCCOCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](C)CC1 ZINC001277627208 805907377 /nfs/dbraw/zinc/90/73/77/805907377.db2.gz QDNOZGXEXASURJ-IYBDPMFKSA-N 2 2 297.443 0.850 20 0 CCADLP COC(=O)c1cc(NCC[NH+]2CCC([NH3+])CC2)ncn1 ZINC000721878984 805962361 /nfs/dbraw/zinc/96/23/61/805962361.db2.gz GZIPAKIRBGDNFX-UHFFFAOYSA-N 2 2 279.344 0.098 20 0 CCADLP Cn1c[nH+]cc1N1CC2(CC[N@@H+]2Cc2cn[nH]c2)C1 ZINC001277765402 806023427 /nfs/dbraw/zinc/02/34/27/806023427.db2.gz HHGPGKSRYKYMSN-UHFFFAOYSA-N 2 2 258.329 0.608 20 0 CCADLP Cn1c[nH+]cc1N1CC2(CC[N@H+]2Cc2cn[nH]c2)C1 ZINC001277765402 806023434 /nfs/dbraw/zinc/02/34/34/806023434.db2.gz HHGPGKSRYKYMSN-UHFFFAOYSA-N 2 2 258.329 0.608 20 0 CCADLP CC[NH2+]CCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001266748455 791206923 /nfs/dbraw/zinc/20/69/23/791206923.db2.gz FQKRUJRRNAJYSH-NSHDSACASA-N 2 2 250.346 0.513 20 0 CCADLP CC[C@H](F)C[NH2+][C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001266982248 791418964 /nfs/dbraw/zinc/41/89/64/791418964.db2.gz ZYIYYQRKNNDNSM-ZJUUUORDSA-N 2 2 256.325 0.795 20 0 CCADLP C[C@@H](F)CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001267019236 791455358 /nfs/dbraw/zinc/45/53/58/791455358.db2.gz IUCDRROMDZYQEI-MNOVXSKESA-N 2 2 268.336 0.891 20 0 CCADLP COCCC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001267073393 791503776 /nfs/dbraw/zinc/50/37/76/791503776.db2.gz SAIIXENTLIEFHT-CYBMUJFWSA-N 2 2 280.372 0.358 20 0 CCADLP C[C@@H]1CCC[N@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)[C@@H]1C[NH3+] ZINC000724568857 791596468 /nfs/dbraw/zinc/59/64/68/791596468.db2.gz LAUMBOQHUGXUDJ-RKQHYHRCSA-N 2 2 254.374 0.850 20 0 CCADLP C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)[C@@H]1C[NH3+] ZINC000724568857 791596474 /nfs/dbraw/zinc/59/64/74/791596474.db2.gz LAUMBOQHUGXUDJ-RKQHYHRCSA-N 2 2 254.374 0.850 20 0 CCADLP CC(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001277832870 806186700 /nfs/dbraw/zinc/18/67/00/806186700.db2.gz XCHKCENWHJRZFK-GJZGRUSLSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001277832870 806186706 /nfs/dbraw/zinc/18/67/06/806186706.db2.gz XCHKCENWHJRZFK-GJZGRUSLSA-N 2 2 297.443 0.944 20 0 CCADLP c1nc2cccc(CN3CC[NH2+]C[C@]34CC[NH2+]C4)c2[nH]1 ZINC001234989449 806335324 /nfs/dbraw/zinc/33/53/24/806335324.db2.gz PKKGVNUUWWVYFG-OAHLLOKOSA-N 2 2 271.368 0.700 20 0 CCADLP c1cc2c(cc1C[N@@H+]1CCN[C@@]3(CC[NH2+]C3)C1)CC[NH2+]C2 ZINC001235053532 806356297 /nfs/dbraw/zinc/35/62/97/806356297.db2.gz UKYVZLIACIFUQI-QGZVFWFLSA-N 3 2 286.423 0.470 20 0 CCADLP c1cc2c(cc1C[N@H+]1CCN[C@@]3(CC[NH2+]C3)C1)CC[NH2+]C2 ZINC001235053532 806356306 /nfs/dbraw/zinc/35/63/06/806356306.db2.gz UKYVZLIACIFUQI-QGZVFWFLSA-N 3 2 286.423 0.470 20 0 CCADLP c1nc2cc(C[N@@H+]3CCN[C@@]4(CC[NH2+]C4)C3)ccc2[nH]1 ZINC001235052905 806354665 /nfs/dbraw/zinc/35/46/65/806354665.db2.gz RIDOEHQJWUYNFQ-OAHLLOKOSA-N 2 2 271.368 0.700 20 0 CCADLP c1nc2cc(C[N@H+]3CCN[C@@]4(CC[NH2+]C4)C3)ccc2[nH]1 ZINC001235052905 806354673 /nfs/dbraw/zinc/35/46/73/806354673.db2.gz RIDOEHQJWUYNFQ-OAHLLOKOSA-N 2 2 271.368 0.700 20 0 CCADLP c1[nH]c2nccnc2c1C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235059620 806362916 /nfs/dbraw/zinc/36/29/16/806362916.db2.gz DTABWHFZAPYHHO-AWEZNQCLSA-N 2 2 272.356 0.047 20 0 CCADLP c1[nH]c2nccnc2c1C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235059620 806362928 /nfs/dbraw/zinc/36/29/28/806362928.db2.gz DTABWHFZAPYHHO-AWEZNQCLSA-N 2 2 272.356 0.047 20 0 CCADLP Cn1nnc2cc(C[N@@H+]3CCN[C@]4(CC[NH2+]C4)C3)ccc21 ZINC001235059732 806361159 /nfs/dbraw/zinc/36/11/59/806361159.db2.gz DHSVHOKIJWJUAE-HNNXBMFYSA-N 2 2 286.383 0.106 20 0 CCADLP Cn1nnc2cc(C[N@H+]3CCN[C@]4(CC[NH2+]C4)C3)ccc21 ZINC001235059732 806361169 /nfs/dbraw/zinc/36/11/69/806361169.db2.gz DHSVHOKIJWJUAE-HNNXBMFYSA-N 2 2 286.383 0.106 20 0 CCADLP Cc1ccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c(C)n1 ZINC001235062072 806363772 /nfs/dbraw/zinc/36/37/72/806363772.db2.gz LPGFATDMVQXAET-OAHLLOKOSA-N 2 2 260.385 0.836 20 0 CCADLP Cc1ccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c(C)n1 ZINC001235062072 806363780 /nfs/dbraw/zinc/36/37/80/806363780.db2.gz LPGFATDMVQXAET-OAHLLOKOSA-N 2 2 260.385 0.836 20 0 CCADLP CCOC(=O)CN1CCC([NH2+][C@@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001246080013 807145403 /nfs/dbraw/zinc/14/54/03/807145403.db2.gz DPUPBZFIEFUHRR-CHWSQXEVSA-N 2 2 287.379 0.304 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+]1CC[C@]2(CC(=O)N(c3cncnc3)C2)C1 ZINC001235637938 806478493 /nfs/dbraw/zinc/47/84/93/806478493.db2.gz OCDKDSPPWPEMMO-RISCZKNCSA-N 2 2 275.356 0.253 20 0 CCADLP C[C@@H]([NH3+])C[N@H+]1CC[C@]2(CC(=O)N(c3cncnc3)C2)C1 ZINC001235637938 806478497 /nfs/dbraw/zinc/47/84/97/806478497.db2.gz OCDKDSPPWPEMMO-RISCZKNCSA-N 2 2 275.356 0.253 20 0 CCADLP COC(=O)[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)[C@@H]1C ZINC001235891678 806513744 /nfs/dbraw/zinc/51/37/44/806513744.db2.gz HLOMJMHUOOWKCP-WOPDTQHZSA-N 2 2 270.373 0.984 20 0 CCADLP COC(=O)[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)[C@@H]1C ZINC001235891678 806513746 /nfs/dbraw/zinc/51/37/46/806513746.db2.gz HLOMJMHUOOWKCP-WOPDTQHZSA-N 2 2 270.373 0.984 20 0 CCADLP Cc1n[nH]c(C)c1C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235994445 806525030 /nfs/dbraw/zinc/52/50/30/806525030.db2.gz WOKFJWTUHLKENN-QYJAPNMZSA-N 2 2 250.346 0.432 20 0 CCADLP Cc1n[nH]c(C)c1C[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235994445 806525032 /nfs/dbraw/zinc/52/50/32/806525032.db2.gz WOKFJWTUHLKENN-QYJAPNMZSA-N 2 2 250.346 0.432 20 0 CCADLP Cc1cc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])sn1 ZINC001235999343 806526942 /nfs/dbraw/zinc/52/69/42/806526942.db2.gz ATOFVXICCQYWOD-DHHPTOIESA-N 2 2 253.371 0.857 20 0 CCADLP Cc1cc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])sn1 ZINC001235999343 806526950 /nfs/dbraw/zinc/52/69/50/806526950.db2.gz ATOFVXICCQYWOD-DHHPTOIESA-N 2 2 253.371 0.857 20 0 CCADLP C[N@H+](CCO)Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001236254910 806558987 /nfs/dbraw/zinc/55/89/87/806558987.db2.gz FTKFMJKLVLZZBN-UHFFFAOYSA-N 2 2 294.395 0.822 20 0 CCADLP C[N@@H+](CCO)Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001236254910 806558991 /nfs/dbraw/zinc/55/89/91/806558991.db2.gz FTKFMJKLVLZZBN-UHFFFAOYSA-N 2 2 294.395 0.822 20 0 CCADLP [NH3+]CC[NH+]1CCC2(CC(=O)N(CC3CC3)C2)CC1 ZINC001236606401 806597350 /nfs/dbraw/zinc/59/73/50/806597350.db2.gz UPTYOCCYPJJSAR-UHFFFAOYSA-N 2 2 251.374 0.670 20 0 CCADLP CC(C)(C)OC(=O)NCCCC[N@@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001237176181 806644777 /nfs/dbraw/zinc/64/47/77/806644777.db2.gz OPEBYCPBIJOWLN-GFCCVEGCSA-N 2 2 299.415 0.951 20 0 CCADLP CC(C)(C)OC(=O)NCCCC[N@H+]1C[C@@H]([NH3+])C2(COC2)C1 ZINC001237176181 806644783 /nfs/dbraw/zinc/64/47/83/806644783.db2.gz OPEBYCPBIJOWLN-GFCCVEGCSA-N 2 2 299.415 0.951 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H](C)C[NH2+]2)CCN1 ZINC001246116748 807158762 /nfs/dbraw/zinc/15/87/62/807158762.db2.gz XSHNRQFUDVJQRT-NDBYEHHHSA-N 2 2 269.389 0.258 20 0 CCADLP C[C@@H]1CN(CC[NH2+]C[C@H](O)C[N@H+](C)C2CC2)[C@@H](C)CO1 ZINC001120589776 798879596 /nfs/dbraw/zinc/87/95/96/798879596.db2.gz RRYIONMCKVTOIE-GUTXKFCHSA-N 2 2 285.432 0.140 20 0 CCADLP C[C@@H]1CN(CC[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)[C@@H](C)CO1 ZINC001120589776 798879603 /nfs/dbraw/zinc/87/96/03/798879603.db2.gz RRYIONMCKVTOIE-GUTXKFCHSA-N 2 2 285.432 0.140 20 0 CCADLP C/C(=C/C(=O)N[C@H]1C[NH+]2CCC1CC2)C[NH+]1CCOCC1 ZINC001120775025 798934434 /nfs/dbraw/zinc/93/44/34/798934434.db2.gz YPOZWMTWGZBNTE-WVUXNXBLSA-N 2 2 293.411 0.475 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC1CC2(C1)CC([NH2+]CCCO)C2 ZINC001121834770 799074685 /nfs/dbraw/zinc/07/46/85/799074685.db2.gz AXCIECDGTXHIKX-UHFFFAOYSA-N 2 2 292.383 0.352 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC001121927168 799097918 /nfs/dbraw/zinc/09/79/18/799097918.db2.gz WCHLRLIHNRPYQH-NSHDSACASA-N 2 2 264.329 0.103 20 0 CCADLP [NH3+][C@@H](CC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)C(F)F ZINC001121998276 799118357 /nfs/dbraw/zinc/11/83/57/799118357.db2.gz VEGKXQUMXSYSBP-UWVGGRQHSA-N 2 2 261.316 0.569 20 0 CCADLP [NH3+][C@@H](CC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)C(F)F ZINC001121998276 799118358 /nfs/dbraw/zinc/11/83/58/799118358.db2.gz VEGKXQUMXSYSBP-UWVGGRQHSA-N 2 2 261.316 0.569 20 0 CCADLP [NH3+]CC[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001122294830 799190783 /nfs/dbraw/zinc/19/07/83/799190783.db2.gz YOLZYQNBFZQNNW-VXGBXAGGSA-N 2 2 262.357 0.643 20 0 CCADLP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)NCCCn3cc[nH+]c3)[C@H]2C1 ZINC001123568644 799434150 /nfs/dbraw/zinc/43/41/50/799434150.db2.gz FZCJYKVLSYIGSU-MELADBBJSA-N 2 2 291.399 0.913 20 0 CCADLP C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)NCCCn3cc[nH+]c3)[C@H]2C1 ZINC001123568644 799434154 /nfs/dbraw/zinc/43/41/54/799434154.db2.gz FZCJYKVLSYIGSU-MELADBBJSA-N 2 2 291.399 0.913 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@H]([NH2+]CCO)C12CCC2 ZINC001202857243 799749016 /nfs/dbraw/zinc/74/90/16/799749016.db2.gz QENQYOQKRJTSEN-NWDGAFQWSA-N 2 2 292.383 0.352 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](Cc2ccncn2)CCC1=O ZINC001140348326 799906415 /nfs/dbraw/zinc/90/64/15/799906415.db2.gz RGBQQIMEAYAHAC-UHFFFAOYSA-N 2 2 277.372 0.073 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](Cc2ccncn2)CCC1=O ZINC001140348326 799906421 /nfs/dbraw/zinc/90/64/21/799906421.db2.gz RGBQQIMEAYAHAC-UHFFFAOYSA-N 2 2 277.372 0.073 20 0 CCADLP CO[C@@H](C)C[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001203052607 799925776 /nfs/dbraw/zinc/92/57/76/799925776.db2.gz PSVUOIHWBSCCKY-NSHDSACASA-N 2 2 280.372 0.568 20 0 CCADLP CC[NH+]1C[C@@H]2C[NH+](Cc3c(CO)cnc(C)c3O)C[C@H]2C1 ZINC001140872203 799954589 /nfs/dbraw/zinc/95/45/89/799954589.db2.gz UAUWKDQJMMZSHL-ZIAGYGMSSA-N 2 2 291.395 0.971 20 0 CCADLP C[NH+](C)CCCN1CC[NH+](Cc2cn[nH]c2)CC1 ZINC001203097165 799983458 /nfs/dbraw/zinc/98/34/58/799983458.db2.gz ZAYJIBCXVNUGAT-UHFFFAOYSA-N 2 2 251.378 0.479 20 0 CCADLP CCC[C@@H]([NH3+])c1cn(CC[NH+]2CCN(C)CC2)nn1 ZINC000229964180 800121317 /nfs/dbraw/zinc/12/13/17/800121317.db2.gz MFRLWKWGUQPZFE-GFCCVEGCSA-N 2 2 266.393 0.325 20 0 CCADLP [NH3+]CC[NH2+]CCNS(=O)(=O)c1cccc2ccccc21 ZINC001238838448 806812859 /nfs/dbraw/zinc/81/28/59/806812859.db2.gz KCYDBBBTRIUUOS-UHFFFAOYSA-N 2 2 293.392 0.666 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2ncc(C3CC3)o2)C1 ZINC001151048991 800389726 /nfs/dbraw/zinc/38/97/26/800389726.db2.gz GHCWJFWIROWOGO-GFCCVEGCSA-N 2 2 292.383 0.710 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2ncc(C3CC3)o2)C1 ZINC001151048991 800389731 /nfs/dbraw/zinc/38/97/31/800389731.db2.gz GHCWJFWIROWOGO-GFCCVEGCSA-N 2 2 292.383 0.710 20 0 CCADLP O=C(C[NH+]1CCCC1)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001151096653 800398227 /nfs/dbraw/zinc/39/82/27/800398227.db2.gz DMSFISMYQMRATG-UHFFFAOYSA-N 2 2 293.371 0.249 20 0 CCADLP Cc1cc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2C)no1 ZINC001151140369 800403098 /nfs/dbraw/zinc/40/30/98/800403098.db2.gz CUOUFKUSFQTOIM-UHFFFAOYSA-N 2 2 277.328 0.394 20 0 CCADLP CC[NH+]1CCC(CCOC)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001151415223 800422825 /nfs/dbraw/zinc/42/28/25/800422825.db2.gz IWAANBVNKLOTDG-UHFFFAOYSA-N 2 2 294.399 0.890 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH2+]Cc1nncs1 ZINC001152147390 800495935 /nfs/dbraw/zinc/49/59/35/800495935.db2.gz MSRAGWIUKKJKIO-PHIMTYICSA-N 2 2 297.428 0.617 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH2+]Cc1nncs1 ZINC001152147390 800495937 /nfs/dbraw/zinc/49/59/37/800495937.db2.gz MSRAGWIUKKJKIO-PHIMTYICSA-N 2 2 297.428 0.617 20 0 CCADLP COCC[NH2+]CCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001152618326 800542984 /nfs/dbraw/zinc/54/29/84/800542984.db2.gz KVXQHMPTMSMXBB-ZDUSSCGKSA-N 2 2 280.372 0.037 20 0 CCADLP Cn1c[nH+]cc1CN1CCN(CC[NH+](C)C)CC1 ZINC001204381519 800622644 /nfs/dbraw/zinc/62/26/44/800622644.db2.gz PVJSOKMDYXDAEY-UHFFFAOYSA-N 2 2 251.378 0.099 20 0 CCADLP CCc1nc(C)c(C[NH2+]CCNC(=O)Cn2cc[nH+]c2)o1 ZINC001153495143 800634830 /nfs/dbraw/zinc/63/48/30/800634830.db2.gz CCUSQCYHZJCBDW-UHFFFAOYSA-N 2 2 291.355 0.648 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]Cc1nc2ccccc2o1 ZINC001153488007 800635131 /nfs/dbraw/zinc/63/51/31/800635131.db2.gz ZPAFLAWSWDWZAY-UHFFFAOYSA-N 2 2 299.334 0.930 20 0 CCADLP CC[NH+](CC)CCOCCNC(=O)Cc1c[nH+]cn1C ZINC001153840401 800675934 /nfs/dbraw/zinc/67/59/34/800675934.db2.gz CDXOGKNRIKGKPK-UHFFFAOYSA-N 2 2 282.388 0.437 20 0 CCADLP CC[N@H+](CCO)[C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001154435965 800781438 /nfs/dbraw/zinc/78/14/38/800781438.db2.gz KAOWVUABIPRQMZ-GFCCVEGCSA-N 2 2 282.388 0.172 20 0 CCADLP CC[N@@H+](CCO)[C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001154435965 800781443 /nfs/dbraw/zinc/78/14/43/800781443.db2.gz KAOWVUABIPRQMZ-GFCCVEGCSA-N 2 2 282.388 0.172 20 0 CCADLP O=C(c1cccc2[nH+]ccn21)N(c1ncccn1)C1C[NH2+]C1 ZINC001154521986 800793936 /nfs/dbraw/zinc/79/39/36/800793936.db2.gz OZFMYRUYZLRSFO-UHFFFAOYSA-N 2 2 294.318 0.743 20 0 CCADLP C[C@@H](CN1CC[NH2+]CC1)Nc1nc(N2CCCC2)cc[nH+]1 ZINC001154747360 800838136 /nfs/dbraw/zinc/83/81/36/800838136.db2.gz GXKFAXOFCCHJEX-ZDUSSCGKSA-N 2 2 290.415 0.782 20 0 CCADLP Cc1nc(-n2cncn2)cc(NC[C@H]2C[NH2+][C@H](C)C2)[nH+]1 ZINC001155101538 800911140 /nfs/dbraw/zinc/91/11/40/800911140.db2.gz FEXUEUKLRXRXQA-MWLCHTKSSA-N 2 2 273.344 0.776 20 0 CCADLP C[N@@H+]1CCO[C@H](CNc2nccc(C3CC[NH2+]CC3)n2)C1 ZINC001155196971 800929643 /nfs/dbraw/zinc/92/96/43/800929643.db2.gz HIIDSBKETJPDLB-CYBMUJFWSA-N 2 2 291.399 0.686 20 0 CCADLP C[N@H+]1CCO[C@H](CNc2nccc(C3CC[NH2+]CC3)n2)C1 ZINC001155196971 800929646 /nfs/dbraw/zinc/92/96/46/800929646.db2.gz HIIDSBKETJPDLB-CYBMUJFWSA-N 2 2 291.399 0.686 20 0 CCADLP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1[nH]nc2cccc(F)c21 ZINC001155286296 800947602 /nfs/dbraw/zinc/94/76/02/800947602.db2.gz JNEMFXORHRMQKL-UHFFFAOYSA-N 2 2 292.318 0.777 20 0 CCADLP COCc1cc[nH+]c(NCc2nnn3c2C[NH2+]CCC3)c1 ZINC001155394310 800966214 /nfs/dbraw/zinc/96/62/14/800966214.db2.gz SROHLBLUYPJXCD-UHFFFAOYSA-N 2 2 288.355 0.925 20 0 CCADLP Cc1c[nH]c2nc[nH+]c(NCc3nnc4n3CCC[NH2+]C4)c12 ZINC001155424925 800972956 /nfs/dbraw/zinc/97/29/56/800972956.db2.gz LMPHAXCRGBJPPW-UHFFFAOYSA-N 2 2 298.354 0.963 20 0 CCADLP CN(C)c1cc(N[C@H]2COCCC23C[NH2+]C3)[nH+]cn1 ZINC001155462831 800981049 /nfs/dbraw/zinc/98/10/49/800981049.db2.gz QHIDQPSGJGMXIO-JTQLQIEISA-N 2 2 263.345 0.333 20 0 CCADLP CN(C)c1cc(N[C@H]2COCCC23C[NH2+]C3)nc[nH+]1 ZINC001155462831 800981054 /nfs/dbraw/zinc/98/10/54/800981054.db2.gz QHIDQPSGJGMXIO-JTQLQIEISA-N 2 2 263.345 0.333 20 0 CCADLP Cc1nc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)c2c([nH+]1)CCC2 ZINC001155483924 800987775 /nfs/dbraw/zinc/98/77/75/800987775.db2.gz ZYAJOGZYKFLLIK-MPKXVKKWSA-N 2 2 274.368 0.920 20 0 CCADLP CCc1nc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)cc(C)[nH+]1 ZINC001155579717 801014188 /nfs/dbraw/zinc/01/41/88/801014188.db2.gz HEQZJVGNUQNHCR-NOZJJQNGSA-N 2 2 261.329 0.337 20 0 CCADLP CC[N@H+](CCO)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001155751324 801048113 /nfs/dbraw/zinc/04/81/13/801048113.db2.gz NUGFYPNTSMVYGP-NWDGAFQWSA-N 2 2 282.388 0.407 20 0 CCADLP CC[N@@H+](CCO)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001155751324 801048118 /nfs/dbraw/zinc/04/81/18/801048118.db2.gz NUGFYPNTSMVYGP-NWDGAFQWSA-N 2 2 282.388 0.407 20 0 CCADLP CC[N@H+](CCO)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001155751324 801048124 /nfs/dbraw/zinc/04/81/24/801048124.db2.gz NUGFYPNTSMVYGP-NWDGAFQWSA-N 2 2 282.388 0.407 20 0 CCADLP CC[N@@H+](CCO)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001155751324 801048130 /nfs/dbraw/zinc/04/81/30/801048130.db2.gz NUGFYPNTSMVYGP-NWDGAFQWSA-N 2 2 282.388 0.407 20 0 CCADLP C[NH+](C)C1(CNc2cc(C[NH3+])ncn2)CC[NH+](C)CC1 ZINC001156181471 801123786 /nfs/dbraw/zinc/12/37/86/801123786.db2.gz CDGRDOTZEMVABQ-UHFFFAOYSA-N 3 2 278.404 0.373 20 0 CCADLP CN1CC[C@H](Nc2cccc(N3CC[NH+](C)CC3)[nH+]2)C1=O ZINC001156506808 801177433 /nfs/dbraw/zinc/17/74/33/801177433.db2.gz FUJRMQIPFTYCID-LBPRGKRZSA-N 2 2 289.383 0.476 20 0 CCADLP COC(=O)CCN(C)c1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001156816511 801241174 /nfs/dbraw/zinc/24/11/74/801241174.db2.gz RLILHDMQPMFRTD-UHFFFAOYSA-N 2 2 292.383 0.833 20 0 CCADLP C[C@H](NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)[C@@H]1CCCO1 ZINC001157433712 801380247 /nfs/dbraw/zinc/38/02/47/801380247.db2.gz LDUSAYXJEAUCAF-GDLCADMTSA-N 2 2 277.368 0.942 20 0 CCADLP C[NH2+][C@@H](COCc1ccccc1)C(=O)N1CC[NH+](C)CC1 ZINC001157450495 801386481 /nfs/dbraw/zinc/38/64/81/801386481.db2.gz CSTHXJVLTHLULC-HNNXBMFYSA-N 2 2 291.395 0.565 20 0 CCADLP CCN(CCn1cc[nH+]c1)c1ncnc2c1CC[NH2+]CC2 ZINC001157459871 801389642 /nfs/dbraw/zinc/38/96/42/801389642.db2.gz LOLMEBDYZIKCNN-UHFFFAOYSA-N 2 2 286.383 0.888 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC(=O)[C@H]3CCCC[C@H]32)C1 ZINC001157568362 801423416 /nfs/dbraw/zinc/42/34/16/801423416.db2.gz SAGPXTUKGCNQFC-NOOOWODRSA-N 2 2 265.357 0.036 20 0 CCADLP [NH3+]C1(C(=O)N2CCC(=O)[C@@H]3CCCC[C@@H]32)CC[NH2+]CC1 ZINC001157569340 801424359 /nfs/dbraw/zinc/42/43/59/801424359.db2.gz XMAPEMXLBCSLTG-NEPJUHHUSA-N 2 2 279.384 0.428 20 0 CCADLP C[C@@H]1CCN(C(=O)CN(C)c2cccc[nH+]2)C[C@@H]1[NH3+] ZINC001157792910 801486602 /nfs/dbraw/zinc/48/66/02/801486602.db2.gz HSTNLJLIYKLMFS-NEPJUHHUSA-N 2 2 262.357 0.714 20 0 CCADLP C[C@@H]1CCN(C(=O)CCc2ccc(N)[nH+]c2)C[C@@H]1[NH3+] ZINC001157804847 801490076 /nfs/dbraw/zinc/49/00/76/801490076.db2.gz YILXJQRNWITVFQ-PWSUYJOCSA-N 2 2 262.357 0.792 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccnc3ccnn32)CC1 ZINC001157910308 801517709 /nfs/dbraw/zinc/51/77/09/801517709.db2.gz BMIFRODNNZWUSI-UHFFFAOYSA-N 2 2 259.317 0.323 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(Cl)c(C(N)=O)n2)CC1 ZINC001157914644 801518277 /nfs/dbraw/zinc/51/82/77/801518277.db2.gz JQWCOGBAKFHZCI-UHFFFAOYSA-N 2 2 296.762 0.428 20 0 CCADLP O=C(N1CC[NH2+]C[C@@H]1c1ccccc1)C1(F)C[NH2+]C1 ZINC001157959467 801540701 /nfs/dbraw/zinc/54/07/01/801540701.db2.gz CQZPHPSMENCQBS-GFCCVEGCSA-N 2 2 263.316 0.471 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CCC3(COC3)C2)cc1 ZINC001158168847 801581257 /nfs/dbraw/zinc/58/12/57/801581257.db2.gz PXBIFWLASYRALC-ZDUSSCGKSA-N 2 2 275.352 0.508 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cncc(Cl)n1 ZINC001158203186 801591817 /nfs/dbraw/zinc/59/18/17/801591817.db2.gz FRTKNLURAXCTMV-SSDOTTSWSA-N 2 2 253.693 0.178 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nc(Cl)nc2nc[nH]c21 ZINC001158202930 801592020 /nfs/dbraw/zinc/59/20/20/801592020.db2.gz AIUNTQFUZYDVHQ-ZCFIWIBFSA-N 2 2 293.718 0.054 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncnc2c1CCCC2 ZINC001158203892 801592470 /nfs/dbraw/zinc/59/24/70/801592470.db2.gz IZSIXHXYYIEEQW-SNVBAGLBSA-N 2 2 273.340 0.403 20 0 CCADLP CSc1ncc(Cl)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158204196 801592943 /nfs/dbraw/zinc/59/29/43/801592943.db2.gz MOEAPELDGFLXKQ-SSDOTTSWSA-N 2 2 299.787 0.900 20 0 CCADLP CSc1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1 ZINC001158206418 801593958 /nfs/dbraw/zinc/59/39/58/801593958.db2.gz NQIRODHCNQHZMK-MRVPVSSYSA-N 2 2 265.342 0.246 20 0 CCADLP Nc1ccc(N2CCO[C@H](C[NH+]3CCCC3)C2)[nH+]c1 ZINC001158306747 801617402 /nfs/dbraw/zinc/61/74/02/801617402.db2.gz YIFRCVQZDMJZDJ-CYBMUJFWSA-N 2 2 262.357 0.965 20 0 CCADLP CC[NH2+]CCCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001158471043 801656412 /nfs/dbraw/zinc/65/64/12/801656412.db2.gz HGTKXVBLIBJFSY-CYBMUJFWSA-N 2 2 279.388 0.906 20 0 CCADLP CC[NH2+]CCCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001158471043 801656417 /nfs/dbraw/zinc/65/64/17/801656417.db2.gz HGTKXVBLIBJFSY-CYBMUJFWSA-N 2 2 279.388 0.906 20 0 CCADLP C[C@@H](C[NH3+])C(=O)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001158822362 801709031 /nfs/dbraw/zinc/70/90/31/801709031.db2.gz UTLAFFNKCWSMNN-JTQLQIEISA-N 2 2 289.339 0.399 20 0 CCADLP Cn1c[nH+]cc1CN1CC([N@H+](C)[C@@H]2CCOC2)C1 ZINC001204387351 801721051 /nfs/dbraw/zinc/72/10/51/801721051.db2.gz CWLVMUXZPFFOBV-LLVKDONJSA-N 2 2 250.346 0.325 20 0 CCADLP Cn1c[nH+]cc1CN1CC([N@@H+](C)[C@@H]2CCOC2)C1 ZINC001204387351 801721057 /nfs/dbraw/zinc/72/10/57/801721057.db2.gz CWLVMUXZPFFOBV-LLVKDONJSA-N 2 2 250.346 0.325 20 0 CCADLP CC[C@]([NH3+])(CO)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC001159742881 801858660 /nfs/dbraw/zinc/85/86/60/801858660.db2.gz FFFQJHVRMTVDHG-CYBMUJFWSA-N 2 2 265.361 0.936 20 0 CCADLP [NH3+]C1(C(=O)N2CC[NH+](CCc3ccccn3)CC2)CC1 ZINC001160482275 801949619 /nfs/dbraw/zinc/94/96/19/801949619.db2.gz DGPBYUVHUGWFPX-UHFFFAOYSA-N 2 2 274.368 0.260 20 0 CCADLP [NH3+]C1(C(=O)N2CC[NH+](Cc3c[nH]c4ncccc34)CC2)CC1 ZINC001160565673 801970852 /nfs/dbraw/zinc/97/08/52/801970852.db2.gz HWGIOFSQPWBWIW-UHFFFAOYSA-N 2 2 299.378 0.698 20 0 CCADLP CCN(CCn1cccn1)C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001160693033 802003081 /nfs/dbraw/zinc/00/30/81/802003081.db2.gz HOBHMZZLKXWFJB-LBPRGKRZSA-N 2 2 276.344 0.025 20 0 CCADLP N[C@@]1(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCC[NH2+]C1 ZINC001160693380 802003479 /nfs/dbraw/zinc/00/34/79/802003479.db2.gz LXHODKTXUATVFM-RISCZKNCSA-N 2 2 277.372 0.197 20 0 CCADLP c1nc(N[C@@H]2CCC[C@H]2[NH+]2CCOCC2)nc2c1C[NH2+]C2 ZINC001160724842 802013009 /nfs/dbraw/zinc/01/30/09/802013009.db2.gz REMBXGPODJDUQR-TZMCWYRMSA-N 2 2 289.383 0.745 20 0 CCADLP CC1(C)CN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)Cc2ccccc21 ZINC001160886336 802041763 /nfs/dbraw/zinc/04/17/63/802041763.db2.gz JHFQPUUVZJCFFZ-OCCSQVGLSA-N 2 2 273.380 0.996 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC[C@@H]2c2ccccn2)C1 ZINC001160936466 802049463 /nfs/dbraw/zinc/04/94/63/802049463.db2.gz XIMPSICAOCEBJJ-KGYLQXTDSA-N 2 2 260.341 0.434 20 0 CCADLP [NH3+]CCN(CCNc1cc(C2CC2)cc[nH+]1)N(O)N=O ZINC001161092519 802087961 /nfs/dbraw/zinc/08/79/61/802087961.db2.gz SLYHBJZPMUHRDV-UHFFFAOYSA-N 2 2 280.332 0.919 20 0 CCADLP CO[C@@H](C)C[NH2+]CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001161308707 802123619 /nfs/dbraw/zinc/12/36/19/802123619.db2.gz DILALHUHNOBLSJ-QWHCGFSZSA-N 2 2 294.399 0.576 20 0 CCADLP CCOC(=O)[C@H]([NH3+])CNc1nccc(C2CC[NH2+]CC2)n1 ZINC001161950079 802254641 /nfs/dbraw/zinc/25/46/41/802254641.db2.gz PEHVCCQJTNCYEX-LLVKDONJSA-N 2 2 293.371 0.246 20 0 CCADLP CNc1cc[nH+]c(N[C@@H](C)CN2CC[NH2+]CC2)n1 ZINC001162090372 802272934 /nfs/dbraw/zinc/27/29/34/802272934.db2.gz MDPFKFUIFBKUDC-JTQLQIEISA-N 2 2 250.350 0.224 20 0 CCADLP O=S1(=O)CC[C@H](Nc2[nH+]cccc2N2CC[NH2+]CC2)C1 ZINC001162495369 802351880 /nfs/dbraw/zinc/35/18/80/802351880.db2.gz UGUHDFGJCNFPMN-NSHDSACASA-N 2 2 296.396 0.090 20 0 CCADLP C[N@@H+]1CCC[C@@H]([NH+]2CC(N3CCOCC3)C2)CC1 ZINC001254524431 808254211 /nfs/dbraw/zinc/25/42/11/808254211.db2.gz WPZLMOOSZZAZES-CYBMUJFWSA-N 2 2 253.390 0.487 20 0 CCADLP C[N@H+]1CCC[C@@H]([NH+]2CC(N3CCOCC3)C2)CC1 ZINC001254524431 808254217 /nfs/dbraw/zinc/25/42/17/808254217.db2.gz WPZLMOOSZZAZES-CYBMUJFWSA-N 2 2 253.390 0.487 20 0 CCADLP C1=C[C@H](Nc2ccc(Cn3cncn3)c[nH+]2)[C@@H]2C[NH2+]C[C@@H]12 ZINC001162798802 802421138 /nfs/dbraw/zinc/42/11/38/802421138.db2.gz VKSFRBWLJPLAHV-MCIONIFRSA-N 2 2 282.351 0.907 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1cc(C[NH3+])ncn1 ZINC001162848704 802427167 /nfs/dbraw/zinc/42/71/67/802427167.db2.gz AEPPKBJBZZJRGK-VIFPVBQESA-N 2 2 267.333 0.016 20 0 CCADLP Cc1cc(C)c(C(=O)NCCC[NH2+][C@H](C)C(N)=O)c(C)[nH+]1 ZINC001162910029 802434562 /nfs/dbraw/zinc/43/45/62/802434562.db2.gz HKALGCLTCHPKAN-GFCCVEGCSA-N 2 2 292.383 0.590 20 0 CCADLP Cc1ccc(N[C@@H]2COC[C@@H]2[NH3+])c(C[NH+]2CCOCC2)c1 ZINC001162926194 802439351 /nfs/dbraw/zinc/43/93/51/802439351.db2.gz LTQBRIPGMJGPDL-GOEBONIOSA-N 2 2 291.395 0.965 20 0 CCADLP C[C@@H](O)CCC[NH2+]CCCNC(=O)CCc1[nH+]ccn1C ZINC001163043886 802467140 /nfs/dbraw/zinc/46/71/40/802467140.db2.gz AUCMDUDWXZQTNM-CYBMUJFWSA-N 2 2 296.415 0.610 20 0 CCADLP c1nc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)cc(N2CCCC2)[nH+]1 ZINC001163140935 802491981 /nfs/dbraw/zinc/49/19/81/802491981.db2.gz RBKSMTATKFFVCT-IJLUTSLNSA-N 2 2 275.356 0.476 20 0 CCADLP OC[C@@H]1C[C@H](F)CN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC001164043806 802659806 /nfs/dbraw/zinc/65/98/06/802659806.db2.gz OLUHISCGTNNMGE-OLZOCXBDSA-N 2 2 294.374 0.648 20 0 CCADLP C[C@H]1CC[C@@H](C[NH3+])N(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001164060671 802663219 /nfs/dbraw/zinc/66/32/19/802663219.db2.gz BIQWSJZVOOYHCL-STQMWFEESA-N 2 2 291.399 0.877 20 0 CCADLP C[NH+](C)C1(CNc2cnc3ncnn3c2)CC[NH+](C)CC1 ZINC001164213532 802689475 /nfs/dbraw/zinc/68/94/75/802689475.db2.gz VHDFOVQFQQOTKE-UHFFFAOYSA-N 2 2 289.387 0.562 20 0 CCADLP Cc1c2[nH+]c[nH]c2ccc1N(C)S(=O)(=O)CC[NH3+] ZINC001164296668 802711227 /nfs/dbraw/zinc/71/12/27/802711227.db2.gz KLGDATWBSQHVJJ-UHFFFAOYSA-N 2 2 268.342 0.596 20 0 CCADLP Cc1[nH+]c2c(n1-c1cncc(-n3cncn3)n1)CC[NH2+]CC2 ZINC001165355359 802826452 /nfs/dbraw/zinc/82/64/52/802826452.db2.gz WETMICLHMQYORX-UHFFFAOYSA-N 2 2 296.338 0.240 20 0 CCADLP CC[NH2+]CCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001166407695 802904455 /nfs/dbraw/zinc/90/44/55/802904455.db2.gz BNTRPPBSCOEUFM-SNVBAGLBSA-N 2 2 250.346 0.945 20 0 CCADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205664957 803153430 /nfs/dbraw/zinc/15/34/30/803153430.db2.gz PVSAKMWQPPYRNK-FRRDWIJNSA-N 3 2 291.386 0.653 20 0 CCADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205664957 803153431 /nfs/dbraw/zinc/15/34/31/803153431.db2.gz PVSAKMWQPPYRNK-FRRDWIJNSA-N 3 2 291.386 0.653 20 0 CCADLP COc1ccncc1C[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205682335 803155054 /nfs/dbraw/zinc/15/50/54/803155054.db2.gz SBIAHZYCORKQOG-AWEZNQCLSA-N 2 2 265.357 0.766 20 0 CCADLP COc1ccncc1C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205682335 803155057 /nfs/dbraw/zinc/15/50/57/803155057.db2.gz SBIAHZYCORKQOG-AWEZNQCLSA-N 2 2 265.357 0.766 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@H]1O ZINC001206465278 803246606 /nfs/dbraw/zinc/24/66/06/803246606.db2.gz ZDXUOBHNYPBHTN-IXDOHACOSA-N 3 2 289.423 0.760 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@H]1O ZINC001206465278 803246610 /nfs/dbraw/zinc/24/66/10/803246610.db2.gz ZDXUOBHNYPBHTN-IXDOHACOSA-N 3 2 289.423 0.760 20 0 CCADLP [NH3+]C[C@H]1C[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1O ZINC001206465278 803246616 /nfs/dbraw/zinc/24/66/16/803246616.db2.gz ZDXUOBHNYPBHTN-IXDOHACOSA-N 3 2 289.423 0.760 20 0 CCADLP [NH3+]C[C@H]1C[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1O ZINC001206465278 803246622 /nfs/dbraw/zinc/24/66/22/803246622.db2.gz ZDXUOBHNYPBHTN-IXDOHACOSA-N 3 2 289.423 0.760 20 0 CCADLP COC(=O)c1ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(OC)c1 ZINC001206464299 803247573 /nfs/dbraw/zinc/24/75/73/803247573.db2.gz MFQZCRZIUBXTTE-QWHCGFSZSA-N 2 2 294.351 0.233 20 0 CCADLP COC(=O)c1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(OC)c1 ZINC001206464299 803247577 /nfs/dbraw/zinc/24/75/77/803247577.db2.gz MFQZCRZIUBXTTE-QWHCGFSZSA-N 2 2 294.351 0.233 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2cnc3[nH]ccc3c2Cl)C[C@@H]1O ZINC001206520184 803258709 /nfs/dbraw/zinc/25/87/09/803258709.db2.gz QDJUDVXDFSTILI-KWQFWETISA-N 2 2 280.759 0.919 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2cnc3[nH]ccc3c2Cl)C[C@@H]1O ZINC001206520184 803258713 /nfs/dbraw/zinc/25/87/13/803258713.db2.gz QDJUDVXDFSTILI-KWQFWETISA-N 2 2 280.759 0.919 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(O)cc2Cl)C[C@@H]1O ZINC001206519209 803258952 /nfs/dbraw/zinc/25/89/52/803258952.db2.gz KCOLLUDXQBFXLN-CABZTGNLSA-N 2 2 256.733 0.797 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(O)cc2Cl)C[C@@H]1O ZINC001206519209 803258954 /nfs/dbraw/zinc/25/89/54/803258954.db2.gz KCOLLUDXQBFXLN-CABZTGNLSA-N 2 2 256.733 0.797 20 0 CCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2Cc1cccc(N)[nH+]1 ZINC001276493359 803288897 /nfs/dbraw/zinc/28/88/97/803288897.db2.gz UAENENMIRUVAOR-OKILXGFUSA-N 2 2 275.400 0.484 20 0 CCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1cccc(N)n1 ZINC001276493359 803288901 /nfs/dbraw/zinc/28/89/01/803288901.db2.gz UAENENMIRUVAOR-OKILXGFUSA-N 2 2 275.400 0.484 20 0 CCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1cccc(N)n1 ZINC001276493359 803288907 /nfs/dbraw/zinc/28/89/07/803288907.db2.gz UAENENMIRUVAOR-OKILXGFUSA-N 2 2 275.400 0.484 20 0 CCADLP COC[C@H](C)[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001206971898 803319429 /nfs/dbraw/zinc/31/94/29/803319429.db2.gz HNLWYLPCGPBPBS-ZDUSSCGKSA-N 2 2 294.399 0.746 20 0 CCADLP CC(C)(CN1CC[N@@H+]2CC[C@@H]2C1)[NH+]1CCOCC1 ZINC001207308140 803384477 /nfs/dbraw/zinc/38/44/77/803384477.db2.gz UCJTXLCRHISJIC-CYBMUJFWSA-N 2 2 253.390 0.487 20 0 CCADLP CC(C)(CN1CC[N@H+]2CC[C@@H]2C1)[NH+]1CCOCC1 ZINC001207308140 803384484 /nfs/dbraw/zinc/38/44/84/803384484.db2.gz UCJTXLCRHISJIC-CYBMUJFWSA-N 2 2 253.390 0.487 20 0 CCADLP COC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001207437563 803399254 /nfs/dbraw/zinc/39/92/54/803399254.db2.gz BQYSYMTYHBYHBM-MBNYWOFBSA-N 2 2 294.399 0.814 20 0 CCADLP COC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001207437563 803399258 /nfs/dbraw/zinc/39/92/58/803399258.db2.gz BQYSYMTYHBYHBM-MBNYWOFBSA-N 2 2 294.399 0.814 20 0 CCADLP COC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001207437563 803399264 /nfs/dbraw/zinc/39/92/64/803399264.db2.gz BQYSYMTYHBYHBM-MBNYWOFBSA-N 2 2 294.399 0.814 20 0 CCADLP COC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001207437563 803399269 /nfs/dbraw/zinc/39/92/69/803399269.db2.gz BQYSYMTYHBYHBM-MBNYWOFBSA-N 2 2 294.399 0.814 20 0 CCADLP CC[N@@H+]1CCO[C@@H]2C[NH+](C[C@@H](C)C(=O)OC)C[C@@H]2C1 ZINC001208717502 803540456 /nfs/dbraw/zinc/54/04/56/803540456.db2.gz UCXVNDPBOZNZOY-FRRDWIJNSA-N 2 2 270.373 0.448 20 0 CCADLP CC[N@H+]1CCO[C@@H]2C[NH+](C[C@@H](C)C(=O)OC)C[C@@H]2C1 ZINC001208717502 803540458 /nfs/dbraw/zinc/54/04/58/803540458.db2.gz UCXVNDPBOZNZOY-FRRDWIJNSA-N 2 2 270.373 0.448 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@H+](C[C@@H](C)C(=O)OC)C[C@@H]2C1 ZINC001208717502 803540461 /nfs/dbraw/zinc/54/04/61/803540461.db2.gz UCXVNDPBOZNZOY-FRRDWIJNSA-N 2 2 270.373 0.448 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@@H+](C[C@@H](C)C(=O)OC)C[C@@H]2C1 ZINC001208717502 803540462 /nfs/dbraw/zinc/54/04/62/803540462.db2.gz UCXVNDPBOZNZOY-FRRDWIJNSA-N 2 2 270.373 0.448 20 0 CCADLP C[C@@]1(O)COCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC001209449853 803604322 /nfs/dbraw/zinc/60/43/22/803604322.db2.gz MCOJPJHUCDAHNY-AWEZNQCLSA-N 2 2 256.390 0.946 20 0 CCADLP C[C@@]1(O)COCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001209449853 803604323 /nfs/dbraw/zinc/60/43/23/803604323.db2.gz MCOJPJHUCDAHNY-AWEZNQCLSA-N 2 2 256.390 0.946 20 0 CCADLP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC001209732723 803626146 /nfs/dbraw/zinc/62/61/46/803626146.db2.gz LVWBLKDIZXMJMV-GFCCVEGCSA-N 2 2 258.329 0.923 20 0 CCADLP Nc1cc[nH+]cc1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC001209732723 803626148 /nfs/dbraw/zinc/62/61/48/803626148.db2.gz LVWBLKDIZXMJMV-GFCCVEGCSA-N 2 2 258.329 0.923 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](OCC[NH+]1CCOCC1)C2 ZINC001210208937 803641649 /nfs/dbraw/zinc/64/16/49/803641649.db2.gz WRECLSUQNZWMEQ-WDNDVIMCSA-N 2 2 254.374 0.960 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](OCC[NH+]1CCOCC1)C2 ZINC001210208937 803641650 /nfs/dbraw/zinc/64/16/50/803641650.db2.gz WRECLSUQNZWMEQ-WDNDVIMCSA-N 2 2 254.374 0.960 20 0 CCADLP CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001210284828 803645823 /nfs/dbraw/zinc/64/58/23/803645823.db2.gz TZAGPDZARCJZQK-TZMCWYRMSA-N 2 2 294.399 0.436 20 0 CCADLP CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001210284828 803645828 /nfs/dbraw/zinc/64/58/28/803645828.db2.gz TZAGPDZARCJZQK-TZMCWYRMSA-N 2 2 294.399 0.436 20 0 CCADLP C[C@H](O)CCC[NH2+][C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001210302447 803646747 /nfs/dbraw/zinc/64/67/47/803646747.db2.gz BZEPHZHVJOOZAP-QWHCGFSZSA-N 2 2 294.399 0.694 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001210849756 803661630 /nfs/dbraw/zinc/66/16/30/803661630.db2.gz RKSYPZGUHWILDP-AAEUAGOBSA-N 2 2 294.399 0.876 20 0 CCADLP c1cn(CCN2CCC23C[NH+](CC2CC[NH2+]CC2)C3)c[nH+]1 ZINC001276714395 803758442 /nfs/dbraw/zinc/75/84/42/803758442.db2.gz VJUPXWIGLHPIRS-UHFFFAOYSA-N 3 2 289.427 0.643 20 0 CCADLP C[C@@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCO)C1)n1cc[nH+]c1 ZINC001215710367 803825151 /nfs/dbraw/zinc/82/51/51/803825151.db2.gz ULLZJXJGAXNLPE-HZSPNIEDSA-N 2 2 294.399 0.653 20 0 CCADLP C[C@@H]1C[NH+](CCc2nnc([C@H]3CC[NH2+]3)o2)C[C@@H](C)O1 ZINC001217718983 803903682 /nfs/dbraw/zinc/90/36/82/803903682.db2.gz SJXFUAUTTSSCRZ-GMTAPVOTSA-N 2 2 266.345 0.756 20 0 CCADLP C[C@@H]1C[C@H]1c1nnc([C@H]([NH3+])CN2CCC([NH3+])CC2)o1 ZINC001217757587 803911542 /nfs/dbraw/zinc/91/15/42/803911542.db2.gz OWVYLBWKPKCWAZ-FBIMIBRVSA-N 2 2 265.361 0.616 20 0 CCADLP C[C@@H]1C[C@@H]1c1nnc([C@H]([NH3+])CN2CCC([NH3+])CC2)o1 ZINC001217757586 803911715 /nfs/dbraw/zinc/91/17/15/803911715.db2.gz OWVYLBWKPKCWAZ-DVVUODLYSA-N 2 2 265.361 0.616 20 0 CCADLP Cc1cc(C[C@@H](C)NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)on1 ZINC001218500217 803966927 /nfs/dbraw/zinc/96/69/27/803966927.db2.gz DQPWWPNPDRHFQK-RNCFNFMXSA-N 2 2 291.355 0.334 20 0 CCADLP COC(=O)c1ccc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)cn1 ZINC001218509134 803975001 /nfs/dbraw/zinc/97/50/01/803975001.db2.gz IDCVDDMZUPJTLX-SNVBAGLBSA-N 2 2 289.295 0.100 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cc(C2CC2)[nH]n1 ZINC001218521020 803984899 /nfs/dbraw/zinc/98/48/99/803984899.db2.gz JNFMYQDDJFCOFU-VIFPVBQESA-N 2 2 260.301 0.519 20 0 CCADLP COc1ccc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)c(C)n1 ZINC001218538951 803995140 /nfs/dbraw/zinc/99/51/40/803995140.db2.gz VBYAEXBATXGFLR-SNVBAGLBSA-N 2 2 275.312 0.630 20 0 CCADLP Cc1cnc(Cl)c(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c1 ZINC001218545301 803998341 /nfs/dbraw/zinc/99/83/41/803998341.db2.gz XKEORENYROXIOA-APPZFPTMSA-N 2 2 254.721 0.671 20 0 CCADLP COc1cncc(NC(=O)C[NH2+]C2CC[NH2+]CC2)c1C ZINC001218561958 804006985 /nfs/dbraw/zinc/00/69/85/804006985.db2.gz LYEAHTSMKULMQD-UHFFFAOYSA-N 2 2 278.356 0.679 20 0 CCADLP Cc1ncc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc1Br ZINC001218564808 804010367 /nfs/dbraw/zinc/01/03/67/804010367.db2.gz KIWXMYQCOSSOJQ-VIFPVBQESA-N 2 2 287.161 0.767 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1cncc(O)c1 ZINC001218574546 804016788 /nfs/dbraw/zinc/01/67/88/804016788.db2.gz VAJWJMMUPWNKRZ-NSHDSACASA-N 2 2 261.285 0.029 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cncc(C(F)(F)F)n2)C1 ZINC001218593077 804026962 /nfs/dbraw/zinc/02/69/62/804026962.db2.gz NYFNSILJXXWNSF-RITPCOANSA-N 2 2 275.234 0.123 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1cnc2n[nH]cc2c1 ZINC001218614030 804033095 /nfs/dbraw/zinc/03/30/95/804033095.db2.gz HDGHCCLSINKPIM-UHFFFAOYSA-N 2 2 274.328 0.238 20 0 CCADLP Nc1cc[nH+]c(-c2cc(NC(=O)[C@@H]3C[C@H](O)C[NH2+]3)ccn2)c1 ZINC001218613297 804033465 /nfs/dbraw/zinc/03/34/65/804033465.db2.gz NSAQFGYXCBJOBM-FZMZJTMJSA-N 2 2 299.334 0.387 20 0 CCADLP Cc1cc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)cc(=O)o1 ZINC001218681353 804079972 /nfs/dbraw/zinc/07/99/72/804079972.db2.gz BVXNPYJLTUDZKM-BREBYQMCSA-N 2 2 263.297 0.109 20 0 CCADLP Cc1c(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)ncn1C ZINC001218691464 804081989 /nfs/dbraw/zinc/08/19/89/804081989.db2.gz KQFHTMJAXVHBCW-LBPRGKRZSA-N 2 2 273.340 0.939 20 0 CCADLP Cn1c(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc2ccccc21 ZINC001218725452 804097493 /nfs/dbraw/zinc/09/74/93/804097493.db2.gz UFFFHTZTTMXXCC-MNOVXSKESA-N 2 2 258.325 0.806 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cn(CCF)cn1 ZINC001218742102 804103439 /nfs/dbraw/zinc/10/34/39/804103439.db2.gz DLOUYNOTJHOXIS-VIFPVBQESA-N 2 2 266.280 0.084 20 0 CCADLP CCN(C)c1ncc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)cn1 ZINC001218741691 804103677 /nfs/dbraw/zinc/10/36/77/804103677.db2.gz ZDMDHDHDYMGNQW-LLVKDONJSA-N 2 2 289.343 0.164 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccnc(OC(F)(F)F)c1 ZINC001218752887 804111195 /nfs/dbraw/zinc/11/11/95/804111195.db2.gz BOUCSFWRRVTTSU-ZETCQYMHSA-N 2 2 278.234 0.595 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccccc1CO ZINC001218830168 804135650 /nfs/dbraw/zinc/13/56/50/804135650.db2.gz QRWIGNZOSSQSKF-NSHDSACASA-N 2 2 260.297 0.411 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc(-c2nnco2)c1 ZINC001218860262 804140793 /nfs/dbraw/zinc/14/07/93/804140793.db2.gz OJCANAHOWXBGTM-LBPRGKRZSA-N 2 2 298.306 0.968 20 0 CCADLP Cc1ccc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)cc1O ZINC001218897090 804150790 /nfs/dbraw/zinc/15/07/90/804150790.db2.gz FNKXUTUQILLXGF-LBPRGKRZSA-N 2 2 274.324 0.943 20 0 CCADLP COc1ccc(C(C)=O)c(NC(=O)[C@@H]([NH3+])CC[NH3+])c1C ZINC001218901935 804152632 /nfs/dbraw/zinc/15/26/32/804152632.db2.gz CFUAFFGZOBVUNL-NSHDSACASA-N 2 2 279.340 0.821 20 0 CCADLP Nc1cccc(Cl)c1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218907423 804153240 /nfs/dbraw/zinc/15/32/40/804153240.db2.gz SDDZFIHDMRILOQ-MUWHJKNJSA-N 2 2 254.721 0.550 20 0 CCADLP Cc1n[nH]c2cc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc(F)c12 ZINC001218932946 804160533 /nfs/dbraw/zinc/16/05/33/804160533.db2.gz QVJOAOYQMXBNBX-VIFPVBQESA-N 2 2 265.292 0.625 20 0 CCADLP Cc1[nH]nc2cc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc(F)c12 ZINC001218932946 804160537 /nfs/dbraw/zinc/16/05/37/804160537.db2.gz QVJOAOYQMXBNBX-VIFPVBQESA-N 2 2 265.292 0.625 20 0 CCADLP COCCOc1cccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c1 ZINC001218951514 804165403 /nfs/dbraw/zinc/16/54/03/804165403.db2.gz ZTZFYYLZDFBXNB-STQMWFEESA-N 2 2 279.340 0.197 20 0 CCADLP COCCOc1cccc(NC(=O)C2([NH3+])CC[NH2+]CC2)c1 ZINC001218950933 804166024 /nfs/dbraw/zinc/16/60/24/804166024.db2.gz KMPCXUSXCPPFRR-UHFFFAOYSA-N 2 2 293.367 0.731 20 0 CCADLP NC(=S)c1cccc(NC(=O)C[NH2+]C2CC[NH2+]CC2)c1 ZINC001218967219 804167064 /nfs/dbraw/zinc/16/70/64/804167064.db2.gz AVPIYBDIWLJVFX-UHFFFAOYSA-N 2 2 292.408 0.601 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc2c1OCCC2 ZINC001218974262 804171004 /nfs/dbraw/zinc/17/10/04/804171004.db2.gz IYZQJHPRHOQXIN-QWRGUYRKSA-N 2 2 261.325 0.497 20 0 CCADLP CC(=O)Oc1ccc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)cc1 ZINC001219102003 804198623 /nfs/dbraw/zinc/19/86/23/804198623.db2.gz PETFLMHXDUXKGO-NFAWXSAZSA-N 2 2 289.335 0.772 20 0 CCADLP COc1ccc(N)c(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)c1 ZINC001219142240 804214791 /nfs/dbraw/zinc/21/47/91/804214791.db2.gz MYDBTEJZVSHJRY-GYSYKLTISA-N 2 2 276.340 0.438 20 0 CCADLP CC[NH2+]C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000311048510 804228584 /nfs/dbraw/zinc/22/85/84/804228584.db2.gz QHCDNLFGMOCOAN-UHFFFAOYSA-N 2 2 250.346 0.874 20 0 CCADLP Cc1cccnc1CCCNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001219571442 804354690 /nfs/dbraw/zinc/35/46/90/804354690.db2.gz HAMNYWWFICGLAS-XPKDYRNWSA-N 2 2 288.395 0.661 20 0 CCADLP C[C@@H](NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)c1ccncc1 ZINC001219599772 804369092 /nfs/dbraw/zinc/36/90/92/804369092.db2.gz FNPADIXKIZOBCJ-LHMODEAPSA-N 2 2 260.341 0.481 20 0 CCADLP C[C@H](NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)c1ccncc1 ZINC001219600222 804369146 /nfs/dbraw/zinc/36/91/46/804369146.db2.gz LPDLCSYRWKWUKL-ZKYQVNSYSA-N 2 2 260.341 0.210 20 0 CCADLP C[C@@H](F)CC[N@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001219774683 804421339 /nfs/dbraw/zinc/42/13/39/804421339.db2.gz YIXLNHBYOGFHEP-RTXFEEFZSA-N 2 2 298.362 0.252 20 0 CCADLP C[C@@H](F)CC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001219774683 804421344 /nfs/dbraw/zinc/42/13/44/804421344.db2.gz YIXLNHBYOGFHEP-RTXFEEFZSA-N 2 2 298.362 0.252 20 0 CCADLP Cc1[nH]c2ccc(CNC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])cc2c1C ZINC001219914303 804447377 /nfs/dbraw/zinc/44/73/77/804447377.db2.gz NYKSESBUYUVUTG-KBPBESRZSA-N 2 2 286.379 0.948 20 0 CCADLP O=C(NC[C@@H]1Cc2ccccc2O1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219925081 804449537 /nfs/dbraw/zinc/44/95/37/804449537.db2.gz FKAFOHIOBCVRGS-HEHGZKQESA-N 2 2 287.363 0.058 20 0 CCADLP Cc1c[nH]c(CCNC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)[nH+]1 ZINC001219951857 804456215 /nfs/dbraw/zinc/45/62/15/804456215.db2.gz FAWWLAAJSFEPGG-GXSJLCMTSA-N 2 2 250.346 0.765 20 0 CCADLP [NH3+]CC1(N(Cc2ccccc2)C(=O)C2(F)C[NH2+]C2)COC1 ZINC001220020794 804475225 /nfs/dbraw/zinc/47/52/25/804475225.db2.gz WECLYLCMDIELAM-UHFFFAOYSA-N 2 2 293.342 0.054 20 0 CCADLP [NH3+]C1(C(=O)NCc2ccc3n[nH]cc3c2)CC[NH2+]CC1 ZINC001220025872 804476270 /nfs/dbraw/zinc/47/62/70/804476270.db2.gz ZFJNKTILIAWPBV-UHFFFAOYSA-N 2 2 273.340 0.260 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NCc2ccc[nH]2)cc1 ZINC001220033329 804477974 /nfs/dbraw/zinc/47/79/74/804477974.db2.gz KRDKTZKJWXIGKK-CYBMUJFWSA-N 2 2 258.325 0.903 20 0 CCADLP O=C(NCc1cccc2ncccc12)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220039604 804480777 /nfs/dbraw/zinc/48/07/77/804480777.db2.gz LMPDEJWPSAFOLY-CXAGYDPISA-N 2 2 296.374 0.803 20 0 CCADLP O=C(NCc1n[nH]c2ccccc21)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220044883 804482433 /nfs/dbraw/zinc/48/24/33/804482433.db2.gz CNHXHNKNNPULLC-ZUZCIYMTSA-N 2 2 285.351 0.131 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC001220274582 804557699 /nfs/dbraw/zinc/55/76/99/804557699.db2.gz JJKDCYAUXUOLKW-YPMHNXCESA-N 2 2 280.372 0.534 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC001220274580 804558822 /nfs/dbraw/zinc/55/88/22/804558822.db2.gz JJKDCYAUXUOLKW-DGCLKSJQSA-N 2 2 280.372 0.534 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@H]2CCc3[nH]c4ccccc4c3C2)C1 ZINC001220348314 804582238 /nfs/dbraw/zinc/58/22/38/804582238.db2.gz YAFVYIHBZJFIAH-GDLVEWKHSA-N 2 2 298.390 0.831 20 0 CCADLP Cc1cccc(C)c1CNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220351233 804582484 /nfs/dbraw/zinc/58/24/84/804582484.db2.gz WSSFZSXRHDJANL-CZUORRHYSA-N 2 2 273.380 0.871 20 0 CCADLP O=C(NCc1cc[nH]c1)[C@H]1CCC[N@@H+]([C@H]2CC[NH2+]C2)C1 ZINC001220386320 804591332 /nfs/dbraw/zinc/59/13/32/804591332.db2.gz PACGUEQSSYDNRO-KBPBESRZSA-N 2 2 276.384 0.705 20 0 CCADLP O=C(NCc1cc[nH]c1)[C@H]1CCC[N@H+]([C@H]2CC[NH2+]C2)C1 ZINC001220386320 804591334 /nfs/dbraw/zinc/59/13/34/804591334.db2.gz PACGUEQSSYDNRO-KBPBESRZSA-N 2 2 276.384 0.705 20 0 CCADLP Cn1nc(CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)c2ccccc21 ZINC001220632147 804639211 /nfs/dbraw/zinc/63/92/11/804639211.db2.gz LQCDEGVFZKZZIU-WCFLWFBJSA-N 2 2 299.378 0.139 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1COCc2ccccc21 ZINC001220655825 804642096 /nfs/dbraw/zinc/64/20/96/804642096.db2.gz GYLCZHUKEGAEQV-KGLIPLIRSA-N 2 2 286.335 0.667 20 0 CCADLP COc1cc(F)cc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)c1 ZINC001220666063 804646123 /nfs/dbraw/zinc/64/61/23/804646123.db2.gz QMJHHGLSJVMOOV-XHDPSFHLSA-N 2 2 293.342 0.402 20 0 CCADLP N=C(NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)c1cccnc1Cl ZINC001220660921 804646199 /nfs/dbraw/zinc/64/61/99/804646199.db2.gz OQWQDRKQJJYEHX-SDBXPKJASA-N 2 2 293.758 0.128 20 0 CCADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@]13CC[C@@H]([NH2+]1)[C@H]([NH3+])C3)C2 ZINC001220716281 804654426 /nfs/dbraw/zinc/65/44/26/804654426.db2.gz CWABRACWDPXFKR-YKWBPFFISA-N 3 2 292.427 0.340 20 0 CCADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@]13CC[C@@H]([NH2+]1)[C@H]([NH3+])C3)C2 ZINC001220716281 804654429 /nfs/dbraw/zinc/65/44/29/804654429.db2.gz CWABRACWDPXFKR-YKWBPFFISA-N 3 2 292.427 0.340 20 0 CCADLP C[NH2+][C@@H](CC(C)C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC001220724744 804656382 /nfs/dbraw/zinc/65/63/82/804656382.db2.gz IWRIVZFFQVNNGL-STQMWFEESA-N 2 2 271.405 0.457 20 0 CCADLP C[NH2+][C@@H](CC(C)C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC001220724744 804656384 /nfs/dbraw/zinc/65/63/84/804656384.db2.gz IWRIVZFFQVNNGL-STQMWFEESA-N 2 2 271.405 0.457 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC2CC3(C2)CC(F)(F)C3)C1 ZINC001220736214 804657815 /nfs/dbraw/zinc/65/78/15/804657815.db2.gz DVEWRZMBAYYADI-APPZFPTMSA-N 2 2 259.300 0.370 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCCc1cc(F)cc(F)c1 ZINC001220731092 804658471 /nfs/dbraw/zinc/65/84/71/804658471.db2.gz DBUORWKPDLUEKF-CYBMUJFWSA-N 2 2 294.305 0.917 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1(F)C[NH2+]C1 ZINC001220918941 804700319 /nfs/dbraw/zinc/70/03/19/804700319.db2.gz MPHJJDKITQSNRC-LLVKDONJSA-N 2 2 269.364 0.821 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)C1(F)C[NH2+]C1 ZINC001220918941 804700325 /nfs/dbraw/zinc/70/03/25/804700325.db2.gz MPHJJDKITQSNRC-LLVKDONJSA-N 2 2 269.364 0.821 20 0 CCADLP COCc1ccc(CNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc1 ZINC001220934901 804702665 /nfs/dbraw/zinc/70/26/65/804702665.db2.gz YWMQCZMSYQZTDL-OLZOCXBDSA-N 2 2 263.341 0.138 20 0 CCADLP Cc1cc2c(cn1)[C@@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)CC2 ZINC001220960073 804708830 /nfs/dbraw/zinc/70/88/30/804708830.db2.gz GYNWFQOUNKUAOO-GJZGRUSLSA-N 2 2 299.378 0.797 20 0 CCADLP COC[C@@H](NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)C1CC1 ZINC001221012818 804718247 /nfs/dbraw/zinc/71/82/47/804718247.db2.gz CEBMDZLIPVJCOU-ZIAGYGMSSA-N 2 2 277.368 0.800 20 0 CCADLP [NH3+]CCCC[C@H]([NH3+])C(=O)NCc1c[nH+]cn1C1CCC1 ZINC001221023134 804721278 /nfs/dbraw/zinc/72/12/78/804721278.db2.gz BYEVLQLNKUSJAS-ZDUSSCGKSA-N 3 2 279.388 0.681 20 0 CCADLP [NH3+]CCN(C(=O)C[NH2+]C1CC[NH2+]CC1)c1ccc(F)cc1 ZINC001221060732 804724299 /nfs/dbraw/zinc/72/42/99/804724299.db2.gz LRYLBMFPXGJZKD-UHFFFAOYSA-N 3 2 294.374 0.459 20 0 CCADLP [NH3+]CCN(C(=O)[C@@H]1COCC[NH2+]1)c1ccc(F)cc1 ZINC001221061067 804726840 /nfs/dbraw/zinc/72/68/40/804726840.db2.gz YYTWXRQMVTWVRE-LBPRGKRZSA-N 2 2 267.304 0.106 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cc2ccccn2n1 ZINC001221235261 804752258 /nfs/dbraw/zinc/75/22/58/804752258.db2.gz YFPVQFFIEBEZRQ-ZDUSSCGKSA-N 2 2 284.323 0.244 20 0 CCADLP [NH3+]C1(C(=O)N[C@H]2CCCc3cnccc32)CC[NH2+]CC1 ZINC001221293007 804769583 /nfs/dbraw/zinc/76/95/83/804769583.db2.gz XYGKNHAOWKPESH-ZDUSSCGKSA-N 2 2 274.368 0.656 20 0 CCADLP [NH3+]C1(C(=O)NCCCC(=O)c2cccnc2)CC[NH2+]CC1 ZINC001221394436 804801018 /nfs/dbraw/zinc/80/10/18/804801018.db2.gz QFCHPQZYORURIU-UHFFFAOYSA-N 2 2 290.367 0.242 20 0 CCADLP c1[nH]c2ncncc2c1C[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222506945 804909932 /nfs/dbraw/zinc/90/99/32/804909932.db2.gz IWRXNECBLPKWDW-KBPBESRZSA-N 2 2 286.383 0.435 20 0 CCADLP c1[nH]c2ncncc2c1C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222506945 804909937 /nfs/dbraw/zinc/90/99/37/804909937.db2.gz IWRXNECBLPKWDW-KBPBESRZSA-N 2 2 286.383 0.435 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@H+](CCO)[C@@H]2C)c[nH+]1 ZINC001088656761 815051710 /nfs/dbraw/zinc/05/17/10/815051710.db2.gz FDFZZHYKIBVZKH-OLZOCXBDSA-N 2 2 294.399 0.498 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@@H+](CCO)[C@@H]2C)c[nH+]1 ZINC001088656761 815051714 /nfs/dbraw/zinc/05/17/14/815051714.db2.gz FDFZZHYKIBVZKH-OLZOCXBDSA-N 2 2 294.399 0.498 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC[NH+](CCCO)CC1 ZINC001229558650 805542441 /nfs/dbraw/zinc/54/24/41/805542441.db2.gz AXIWHQOOKDCBMR-LBPRGKRZSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC[NH+](CCCO)CC1 ZINC001229558650 805542449 /nfs/dbraw/zinc/54/24/49/805542449.db2.gz AXIWHQOOKDCBMR-LBPRGKRZSA-N 2 2 294.399 0.551 20 0 CCADLP CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000989730909 815088978 /nfs/dbraw/zinc/08/89/78/815088978.db2.gz RPHNOIQQRJLUHO-GXSJLCMTSA-N 2 2 250.346 0.860 20 0 CCADLP COc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC001246011871 807114248 /nfs/dbraw/zinc/11/42/48/807114248.db2.gz WPLNKLZKPMOTMR-OLZOCXBDSA-N 2 2 280.368 0.777 20 0 CCADLP C[C@]1(C[NH3+])CCCC[N@H+](C[C@]2(O)CCC[NH2+]C2)C1 ZINC001246020166 807120382 /nfs/dbraw/zinc/12/03/82/807120382.db2.gz IGZXCCFTSHIQSM-KGLIPLIRSA-N 3 2 255.406 0.552 20 0 CCADLP C[C@]1(C[NH3+])CCCC[N@@H+](C[C@]2(O)CCC[NH2+]C2)C1 ZINC001246020166 807120386 /nfs/dbraw/zinc/12/03/86/807120386.db2.gz IGZXCCFTSHIQSM-KGLIPLIRSA-N 3 2 255.406 0.552 20 0 CCADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](C[C@@H](O)COCc1ccco1)C2 ZINC001246038426 807130734 /nfs/dbraw/zinc/13/07/34/807130734.db2.gz YTCLTFGZYZFFLZ-OUCADQQQSA-N 2 2 266.341 0.580 20 0 CCADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](C[C@@H](O)COCc1ccco1)C2 ZINC001246038426 807130739 /nfs/dbraw/zinc/13/07/39/807130739.db2.gz YTCLTFGZYZFFLZ-OUCADQQQSA-N 2 2 266.341 0.580 20 0 CCADLP COc1ccc(OC[C@H](O)C[N@H+](C)C[C@H](C)[NH3+])cc1 ZINC001246058912 807136273 /nfs/dbraw/zinc/13/62/73/807136273.db2.gz MREQMTRUJCZNOW-NWDGAFQWSA-N 2 2 268.357 0.714 20 0 CCADLP COc1ccc(OC[C@H](O)C[N@@H+](C)C[C@H](C)[NH3+])cc1 ZINC001246058912 807136277 /nfs/dbraw/zinc/13/62/77/807136277.db2.gz MREQMTRUJCZNOW-NWDGAFQWSA-N 2 2 268.357 0.714 20 0 CCADLP COc1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2C[NH3+])c1 ZINC001246065485 807138649 /nfs/dbraw/zinc/13/86/49/807138649.db2.gz PAPZQYQQTJLCHG-CHWSQXEVSA-N 2 2 280.368 0.858 20 0 CCADLP COc1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2C[NH3+])c1 ZINC001246065485 807138652 /nfs/dbraw/zinc/13/86/52/807138652.db2.gz PAPZQYQQTJLCHG-CHWSQXEVSA-N 2 2 280.368 0.858 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](C[C@H](O)CCOCc2ccccc2)C1 ZINC001246067659 807140136 /nfs/dbraw/zinc/14/01/36/807140136.db2.gz FQNODBBCVCKKDC-HUUCEWRRSA-N 2 2 264.369 0.987 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](C[C@H](O)CCOCc2ccccc2)C1 ZINC001246067659 807140139 /nfs/dbraw/zinc/14/01/39/807140139.db2.gz FQNODBBCVCKKDC-HUUCEWRRSA-N 2 2 264.369 0.987 20 0 CCADLP [NH3+]Cc1nc2ccccc2n1[C@@H]1CC[NH2+]C2(CNC2)C1 ZINC001246099399 807153013 /nfs/dbraw/zinc/15/30/13/807153013.db2.gz XBZRFAZITLUEQJ-LLVKDONJSA-N 2 2 271.368 0.762 20 0 CCADLP O[C@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCC[NH2+]C1 ZINC001246110114 807155232 /nfs/dbraw/zinc/15/52/32/807155232.db2.gz LTKJDLMNFLYFEP-QNMSZWNNSA-N 3 2 253.390 0.364 20 0 CCADLP CCCC[N@H+](CC)CCN[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246162984 807172126 /nfs/dbraw/zinc/17/21/26/807172126.db2.gz UPAKHTBSCXJSSP-OLZOCXBDSA-N 2 2 271.405 0.602 20 0 CCADLP CCCC[N@@H+](CC)CCN[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246162984 807172129 /nfs/dbraw/zinc/17/21/29/807172129.db2.gz UPAKHTBSCXJSSP-OLZOCXBDSA-N 2 2 271.405 0.602 20 0 CCADLP FC(F)(F)C(F)(F)C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246165221 807173666 /nfs/dbraw/zinc/17/36/66/807173666.db2.gz ZSEZDOICZCMXBJ-SSDOTTSWSA-N 2 2 273.249 0.868 20 0 CCADLP C[N@H+](CCC[NH3+])CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246285378 807208058 /nfs/dbraw/zinc/20/80/58/807208058.db2.gz SNYDBBRFEJXBJX-PBWFPOADSA-N 4 2 254.422 0.530 20 0 CCADLP C[N@@H+](CCC[NH3+])CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246285378 807208061 /nfs/dbraw/zinc/20/80/61/807208061.db2.gz SNYDBBRFEJXBJX-PBWFPOADSA-N 4 2 254.422 0.530 20 0 CCADLP CCCc1cc(C[NH3+])nn1[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246320818 807221292 /nfs/dbraw/zinc/22/12/92/807221292.db2.gz KLOIGSBUEOCIOA-NEPJUHHUSA-N 2 2 266.345 0.370 20 0 CCADLP C[C@@H]1CC[C@@H](N[C@H]2CC[N@@H+](C3CC[NH2+]CC3)C2)C[NH2+]1 ZINC001246372830 807238085 /nfs/dbraw/zinc/23/80/85/807238085.db2.gz NIGPFTRADOJKGB-MCIONIFRSA-N 3 2 266.433 0.543 20 0 CCADLP C[C@@H]1CC[C@@H](N[C@H]2CC[N@H+](C3CC[NH2+]CC3)C2)C[NH2+]1 ZINC001246372830 807238087 /nfs/dbraw/zinc/23/80/87/807238087.db2.gz NIGPFTRADOJKGB-MCIONIFRSA-N 3 2 266.433 0.543 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H](O)[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC001246494149 807265447 /nfs/dbraw/zinc/26/54/47/807265447.db2.gz FGEGPVKGDVGUDN-VOAKCMCISA-N 2 2 270.373 0.421 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Nc2ccc([C@H](C[NH3+])CO)cc2)C[NH2+]1 ZINC001246499712 807266064 /nfs/dbraw/zinc/26/60/64/807266064.db2.gz DDVXCDFJBFDRMZ-XBFCOCLRSA-N 2 2 293.367 0.037 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCOc2cc[nH+]cc2)CN1 ZINC001246502132 807267616 /nfs/dbraw/zinc/26/76/16/807267616.db2.gz DGQDHHLIGYAMPJ-YPMHNXCESA-N 2 2 279.340 0.344 20 0 CCADLP CCOC(=O)CN1CC[NH+]([C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246537597 807277493 /nfs/dbraw/zinc/27/74/93/807277493.db2.gz KYLXWPMOWDDNBG-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP CC1(C)C[C@@H]([N@@H+]2CCCC[C@](O)(C[NH3+])C2)CC[NH2+]1 ZINC001246555055 807283988 /nfs/dbraw/zinc/28/39/88/807283988.db2.gz AWGZULGXPCQHBC-JSGCOSHPSA-N 3 2 255.406 0.693 20 0 CCADLP CC1(C)C[C@@H]([N@H+]2CCCC[C@](O)(C[NH3+])C2)CC[NH2+]1 ZINC001246555055 807283994 /nfs/dbraw/zinc/28/39/94/807283994.db2.gz AWGZULGXPCQHBC-JSGCOSHPSA-N 3 2 255.406 0.693 20 0 CCADLP CC(=O)N1CC[C@H]([N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)C1 ZINC001246561191 807291287 /nfs/dbraw/zinc/29/12/87/807291287.db2.gz VXNRIRHWDCJENK-MNOVXSKESA-N 2 2 261.316 0.523 20 0 CCADLP CC(=O)N1CC[C@H]([N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)C1 ZINC001246561191 807291293 /nfs/dbraw/zinc/29/12/93/807291293.db2.gz VXNRIRHWDCJENK-MNOVXSKESA-N 2 2 261.316 0.523 20 0 CCADLP OC[C@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC(F)(F)C1 ZINC001246572363 807297168 /nfs/dbraw/zinc/29/71/68/807297168.db2.gz GUNFSJULWZQYDW-GHMZBOCLSA-N 2 2 275.343 0.030 20 0 CCADLP OC[C@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC(F)(F)C1 ZINC001246572363 807297173 /nfs/dbraw/zinc/29/71/73/807297173.db2.gz GUNFSJULWZQYDW-GHMZBOCLSA-N 2 2 275.343 0.030 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C[C@@H]1O ZINC001246578628 807299555 /nfs/dbraw/zinc/29/95/55/807299555.db2.gz GVISXHURFQWGEZ-FZKCQIBNSA-N 3 2 275.396 0.731 20 0 CCADLP [NH3+]C[C@H]1C[N@H+]([C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C[C@@H]1O ZINC001246578628 807299559 /nfs/dbraw/zinc/29/95/59/807299559.db2.gz GVISXHURFQWGEZ-FZKCQIBNSA-N 3 2 275.396 0.731 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C[C@H]1O ZINC001246585227 807306713 /nfs/dbraw/zinc/30/67/13/807306713.db2.gz NFVMQQWIBVECOG-MWDXBVQZSA-N 3 2 289.423 0.601 20 0 CCADLP [NH3+]C[C@H]1C[N@H+]([C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C[C@H]1O ZINC001246585227 807306721 /nfs/dbraw/zinc/30/67/21/807306721.db2.gz NFVMQQWIBVECOG-MWDXBVQZSA-N 3 2 289.423 0.601 20 0 CCADLP CCOC(=O)[C@@]12C[N@@H+]([C@@H](C)CC[NH2+]C)C[C@@H]1C[NH2+]CCC2 ZINC001246609777 807321796 /nfs/dbraw/zinc/32/17/96/807321796.db2.gz NPEGKJLJOAPXRT-DZKIICNBSA-N 3 2 297.443 0.849 20 0 CCADLP CCOC(=O)[C@@]12C[N@H+]([C@@H](C)CC[NH2+]C)C[C@@H]1C[NH2+]CCC2 ZINC001246609777 807321804 /nfs/dbraw/zinc/32/18/04/807321804.db2.gz NPEGKJLJOAPXRT-DZKIICNBSA-N 3 2 297.443 0.849 20 0 CCADLP C[C@@H]1CC([N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)C[C@@H](C)[NH2+]1 ZINC001246634367 807335964 /nfs/dbraw/zinc/33/59/64/807335964.db2.gz GIEHYBHQSPCQPL-BZPMIXESSA-N 3 2 252.406 0.153 20 0 CCADLP C[C@@H]1CC([N@H+]2CCN[C@]3(CC[NH2+]C3)C2)C[C@@H](C)[NH2+]1 ZINC001246634367 807335973 /nfs/dbraw/zinc/33/59/73/807335973.db2.gz GIEHYBHQSPCQPL-BZPMIXESSA-N 3 2 252.406 0.153 20 0 CCADLP CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@@H+]2[C@@H]2CCC[NH2+]C2)O1 ZINC001246707110 807360424 /nfs/dbraw/zinc/36/04/24/807360424.db2.gz TVUGKQHFBPLFAA-FDYHWXHSSA-N 2 2 267.373 0.058 20 0 CCADLP CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@H+]2[C@@H]2CCC[NH2+]C2)O1 ZINC001246707110 807360431 /nfs/dbraw/zinc/36/04/31/807360431.db2.gz TVUGKQHFBPLFAA-FDYHWXHSSA-N 2 2 267.373 0.058 20 0 CCADLP C[C@@H]1CC[C@@H]([NH+]2CCC3(CNC(=O)N3)CC2)C[NH2+]1 ZINC001246913831 807427228 /nfs/dbraw/zinc/42/72/28/807427228.db2.gz HPSKYLBTARDVHR-GHMZBOCLSA-N 2 2 252.362 0.274 20 0 CCADLP C[C@H]1CC[C@@H]([NH+]2CCC3(CNC(=O)N3)CC2)C[NH2+]1 ZINC001246913834 807427405 /nfs/dbraw/zinc/42/74/05/807427405.db2.gz HPSKYLBTARDVHR-WDEREUQCSA-N 2 2 252.362 0.274 20 0 CCADLP COc1cc(N2CC[NH+]([C@H]3CC[NH2+][C@@H](C)C3)CC2)ncn1 ZINC001246920898 807429209 /nfs/dbraw/zinc/42/92/09/807429209.db2.gz TYAVBHRHLPQIDO-STQMWFEESA-N 2 2 291.399 0.748 20 0 CCADLP C(C1CC1)[NH+]1CCC([NH2+][C@H]2COCCC23OCCO3)CC1 ZINC001168358341 815127586 /nfs/dbraw/zinc/12/75/86/815127586.db2.gz SKMGXAVLFJQIRV-HNNXBMFYSA-N 2 2 296.411 0.982 20 0 CCADLP CN(C)c1cc[nH+]cc1NC[C@H](O)C[NH+]1CCOCC1 ZINC001251005974 807636977 /nfs/dbraw/zinc/63/69/77/807636977.db2.gz AYFRSTAOCQCCAM-LBPRGKRZSA-N 2 2 280.372 0.253 20 0 CCADLP CCc1cccc(NC[C@H](O)C[NH+]2CCOCC2)[nH+]1 ZINC001251007186 807638850 /nfs/dbraw/zinc/63/88/50/807638850.db2.gz SRCKFGPWVPTEFO-ZDUSSCGKSA-N 2 2 265.357 0.749 20 0 CCADLP OC[C@@H](O)C[N@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001252057390 807782251 /nfs/dbraw/zinc/78/22/51/807782251.db2.gz IRGUCIWADBQTEM-XQQFMLRXSA-N 2 2 282.409 0.465 20 0 CCADLP OC[C@@H](O)C[N@@H+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2C1 ZINC001252057390 807782253 /nfs/dbraw/zinc/78/22/53/807782253.db2.gz IRGUCIWADBQTEM-XQQFMLRXSA-N 2 2 282.409 0.465 20 0 CCADLP OC[C@@H](O)C[NH+]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC001252057390 807782260 /nfs/dbraw/zinc/78/22/60/807782260.db2.gz IRGUCIWADBQTEM-XQQFMLRXSA-N 2 2 282.409 0.465 20 0 CCADLP OC[C@@H](O)C[NH+]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC001252057390 807782265 /nfs/dbraw/zinc/78/22/65/807782265.db2.gz IRGUCIWADBQTEM-XQQFMLRXSA-N 2 2 282.409 0.465 20 0 CCADLP C[NH+](C)CC[C@@H]([NH2+]C[C@H](O)CO)c1ccccc1 ZINC001252068704 807790366 /nfs/dbraw/zinc/79/03/66/807790366.db2.gz RLEJHPZSAPSCRC-UONOGXRCSA-N 2 2 252.358 0.622 20 0 CCADLP COC(=O)[C@H](O)C[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001252412986 807826974 /nfs/dbraw/zinc/82/69/74/807826974.db2.gz ATJQKCNQOJWBED-CQSZACIVSA-N 2 2 296.411 0.861 20 0 CCADLP COC(=O)[C@H](O)C[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001252412986 807826980 /nfs/dbraw/zinc/82/69/80/807826980.db2.gz ATJQKCNQOJWBED-CQSZACIVSA-N 2 2 296.411 0.861 20 0 CCADLP C[NH+]1CCC(CO)([NH2+]C[C@@H](O)COCc2ccco2)CC1 ZINC001252665301 807933077 /nfs/dbraw/zinc/93/30/77/807933077.db2.gz PRUXPCMYUZWWEG-CYBMUJFWSA-N 2 2 298.383 0.203 20 0 CCADLP COc1ccccc1OC[C@@H](O)C[NH2+]CCc1[nH]cc[nH+]1 ZINC001252903236 807983432 /nfs/dbraw/zinc/98/34/32/807983432.db2.gz VYMKIXOEBXZWQV-LBPRGKRZSA-N 2 2 291.351 0.990 20 0 CCADLP CC1(CO)C[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001252921647 807986870 /nfs/dbraw/zinc/98/68/70/807986870.db2.gz CZEZWKXIZJZALW-QGZVFWFLSA-N 2 2 290.407 0.938 20 0 CCADLP CC1(CO)C[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001252921647 807986872 /nfs/dbraw/zinc/98/68/72/807986872.db2.gz CZEZWKXIZJZALW-QGZVFWFLSA-N 2 2 290.407 0.938 20 0 CCADLP CC[N@H+](CCn1cc[nH+]c1)CC1(O)CCOCC1 ZINC001252964979 807992956 /nfs/dbraw/zinc/99/29/56/807992956.db2.gz DKTMFLINFAYMLF-UHFFFAOYSA-N 2 2 253.346 0.747 20 0 CCADLP CC[N@@H+](CCn1cc[nH+]c1)CC1(O)CCOCC1 ZINC001252964979 807992961 /nfs/dbraw/zinc/99/29/61/807992961.db2.gz DKTMFLINFAYMLF-UHFFFAOYSA-N 2 2 253.346 0.747 20 0 CCADLP CC[NH+](CC)C[C@H](O)CN1CCc2[nH+]c[nH]c2C1 ZINC001253180932 808019820 /nfs/dbraw/zinc/01/98/20/808019820.db2.gz MBAUNZYZJDBSOW-NSHDSACASA-N 2 2 252.362 0.471 20 0 CCADLP CC[NH+](CC)C[C@@H](O)CN1CCc2c([nH+]cn2C)C1 ZINC001253188100 808022794 /nfs/dbraw/zinc/02/27/94/808022794.db2.gz PTOFLZFFGFLKDU-GFCCVEGCSA-N 2 2 266.389 0.481 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@@H](C(=O)OC)CC1 ZINC001253192290 808026408 /nfs/dbraw/zinc/02/64/08/808026408.db2.gz NPXDJVVFWYSHEZ-KGLIPLIRSA-N 2 2 286.416 0.964 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@@H](C(=O)OC)CC1 ZINC001253192290 808026414 /nfs/dbraw/zinc/02/64/14/808026414.db2.gz NPXDJVVFWYSHEZ-KGLIPLIRSA-N 2 2 286.416 0.964 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC001253394365 808056112 /nfs/dbraw/zinc/05/61/12/808056112.db2.gz KBOUROFAUCXREF-GFCCVEGCSA-N 2 2 299.415 0.700 20 0 CCADLP C[NH+](C)Cc1cn(C[C@H]2C[C@]3(CO2)CCCC[NH2+]3)nn1 ZINC001254068444 808175483 /nfs/dbraw/zinc/17/54/83/808175483.db2.gz OROWRIDZZJHVTL-KGLIPLIRSA-N 2 2 279.388 0.641 20 0 CCADLP C[NH+](C)Cc1cn(C[C@H]2C[C@@]3(CO2)CCCC[NH2+]3)nn1 ZINC001254068446 808175714 /nfs/dbraw/zinc/17/57/14/808175714.db2.gz OROWRIDZZJHVTL-ZIAGYGMSSA-N 2 2 279.388 0.641 20 0 CCADLP Cc1[nH+]c2c(n1[C@H]1CCS(=O)(=O)C1)CC[NH2+]CC2 ZINC001254331585 808213046 /nfs/dbraw/zinc/21/30/46/808213046.db2.gz RAKITLSGNUKDJZ-JTQLQIEISA-N 2 2 269.370 0.239 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N[C@H]2CCC[N@H+](C)C2)no1 ZINC001254721235 808276610 /nfs/dbraw/zinc/27/66/10/808276610.db2.gz NRHBPFZMEQAAPM-JTQLQIEISA-N 2 2 266.345 0.560 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N[C@H]2CCC[N@@H+](C)C2)no1 ZINC001254721235 808276616 /nfs/dbraw/zinc/27/66/16/808276616.db2.gz NRHBPFZMEQAAPM-JTQLQIEISA-N 2 2 266.345 0.560 20 0 CCADLP CN1CCOC[C@H]1C[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254840256 808284849 /nfs/dbraw/zinc/28/48/49/808284849.db2.gz DYLQZQHYPULMSA-ZIAGYGMSSA-N 2 2 253.390 0.391 20 0 CCADLP COC(=O)CC(CC(=O)OC)[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254848542 808287017 /nfs/dbraw/zinc/28/70/17/808287017.db2.gz PNSOOXSRXFIPCG-ZDUSSCGKSA-N 2 2 298.383 0.555 20 0 CCADLP CC(=O)N1CC[C@@H](C[NH2+][C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254848463 808287029 /nfs/dbraw/zinc/28/70/29/808287029.db2.gz QRNLCKJWAVEPKZ-LSDHHAIUSA-N 2 2 265.401 0.929 20 0 CCADLP O=C1NCC[C@@]12CC[N@@H+]([C@@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254855607 808288061 /nfs/dbraw/zinc/28/80/61/808288061.db2.gz PDCCFVQLWXICPZ-HIFRSBDPSA-N 2 2 263.385 0.683 20 0 CCADLP O=C1NCC[C@@]12CC[N@H+]([C@@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254855607 808288062 /nfs/dbraw/zinc/28/80/62/808288062.db2.gz PDCCFVQLWXICPZ-HIFRSBDPSA-N 2 2 263.385 0.683 20 0 CCADLP COC(=O)[C@H]([NH3+])Cc1cn([C@H]2CCC[N@H+](C)C2)cn1 ZINC001255480310 808385463 /nfs/dbraw/zinc/38/54/63/808385463.db2.gz USIUFZSZHIMXHT-NWDGAFQWSA-N 2 2 266.345 0.193 20 0 CCADLP COC(=O)[C@H]([NH3+])Cc1cn([C@H]2CCC[N@@H+](C)C2)cn1 ZINC001255480310 808385468 /nfs/dbraw/zinc/38/54/68/808385468.db2.gz USIUFZSZHIMXHT-NWDGAFQWSA-N 2 2 266.345 0.193 20 0 CCADLP C[NH+]1CC(C[NH2+]C2CCN(c3ncccn3)CC2)C1 ZINC001256050932 808462115 /nfs/dbraw/zinc/46/21/15/808462115.db2.gz VYKFEEJWHIFPBT-UHFFFAOYSA-N 2 2 261.373 0.597 20 0 CCADLP NC(=O)NC1CC[NH+](C2CC[NH+](C3CC3)CC2)CC1 ZINC001256072955 808467242 /nfs/dbraw/zinc/46/72/42/808467242.db2.gz KHZAHXVDJPYYCS-UHFFFAOYSA-N 2 2 266.389 0.746 20 0 CCADLP C[C@@H](Cc1ccccn1)NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001256399738 808525122 /nfs/dbraw/zinc/52/51/22/808525122.db2.gz UHVZDZSFWOJFNO-LBPRGKRZSA-N 2 2 261.373 0.784 20 0 CCADLP C[NH+](C)CCN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001256621047 808541567 /nfs/dbraw/zinc/54/15/67/808541567.db2.gz JDZNXFREJCCBKX-XYPWUTKMSA-N 3 2 280.460 0.791 20 0 CCADLP C[NH+](C)CCN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001256621047 808541573 /nfs/dbraw/zinc/54/15/73/808541573.db2.gz JDZNXFREJCCBKX-XYPWUTKMSA-N 3 2 280.460 0.791 20 0 CCADLP [NH3+]CCCCCCn1cc(C[NH+]2CCC(O)CC2)nn1 ZINC000899694942 815219076 /nfs/dbraw/zinc/21/90/76/815219076.db2.gz NXADWZFDRZDJIB-UHFFFAOYSA-N 2 2 281.404 0.754 20 0 CCADLP CC(C)[NH+]1CCC([NH2+]CCC[NH+](CCO)CCO)CC1 ZINC001257204637 808597342 /nfs/dbraw/zinc/59/73/42/808597342.db2.gz MZQWCFSECKLGAW-UHFFFAOYSA-N 3 2 287.448 0.126 20 0 CCADLP [NH3+]CCC(=O)NCCc1c[nH+]cn1[C@H]1CCCSC1 ZINC001257665056 808628929 /nfs/dbraw/zinc/62/89/29/808628929.db2.gz VJIBWSHVUSGXAM-LBPRGKRZSA-N 2 2 282.413 0.959 20 0 CCADLP COC(=O)CC[C@@H](C)[NH2+][C@H](CCCC[NH3+])C(=O)OC ZINC001258357063 808675019 /nfs/dbraw/zinc/67/50/19/808675019.db2.gz ZDRLQQVARHRTNO-GHMZBOCLSA-N 2 2 274.361 0.588 20 0 CCADLP CCOC(=O)CC[C@@H](C)[NH2+][C@H](CCCC[NH3+])C(=O)OC ZINC001258477504 808686370 /nfs/dbraw/zinc/68/63/70/808686370.db2.gz JWYBVZNSOFDFQL-VXGBXAGGSA-N 2 2 288.388 0.978 20 0 CCADLP [NH3+]CCCCCn1cc(C[NH+]2CCC(O)CC2)nn1 ZINC001262382652 809298849 /nfs/dbraw/zinc/29/88/49/809298849.db2.gz CDFMCFZSTHCLNH-UHFFFAOYSA-N 2 2 267.377 0.364 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC001262586627 809360287 /nfs/dbraw/zinc/36/02/87/809360287.db2.gz IZUCAOKJHLNDCL-CQSZACIVSA-N 3 2 297.447 0.241 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)NCC2CC=CC2)CC1 ZINC001262589020 809361846 /nfs/dbraw/zinc/36/18/46/809361846.db2.gz VLMQBSBEOUZYDV-UHFFFAOYSA-N 2 2 266.389 0.675 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CCCC[N@@H+]1C ZINC001262652889 809386153 /nfs/dbraw/zinc/38/61/53/809386153.db2.gz SWIBXHSLVYJKKE-LLVKDONJSA-N 2 2 250.346 0.563 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CCCC[N@H+]1C ZINC001262652889 809386155 /nfs/dbraw/zinc/38/61/55/809386155.db2.gz SWIBXHSLVYJKKE-LLVKDONJSA-N 2 2 250.346 0.563 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNc1cc[nH+]c(N)n1 ZINC001262683100 809393197 /nfs/dbraw/zinc/39/31/97/809393197.db2.gz WPWWXZNNHMKWHE-UHFFFAOYSA-N 2 2 251.334 0.582 20 0 CCADLP CC1(C)COCC[N@H+]1CCNc1cc[nH+]c(N)n1 ZINC001262683100 809393204 /nfs/dbraw/zinc/39/32/04/809393204.db2.gz WPWWXZNNHMKWHE-UHFFFAOYSA-N 2 2 251.334 0.582 20 0 CCADLP C[C@H]1Cn2nc(C(=O)NCCCn3cc[nH+]c3)cc2C[NH2+]1 ZINC001263092607 809440504 /nfs/dbraw/zinc/44/05/04/809440504.db2.gz YWKKFNOKANJHPV-NSHDSACASA-N 2 2 288.355 0.391 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)C[NH2+]C(C)C ZINC001263198886 809478638 /nfs/dbraw/zinc/47/86/38/809478638.db2.gz OHTUPNRFCORITN-GFCCVEGCSA-N 2 2 257.378 0.211 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC1CCC([NH2+]CCCO)CC1 ZINC001265738871 809833828 /nfs/dbraw/zinc/83/38/28/809833828.db2.gz PYLHIDWYXAEOPY-UHFFFAOYSA-N 2 2 294.399 0.673 20 0 CCADLP Cc1noc(C[N@H+](C)CCCNC(=O)[C@@H]2CCC[NH+]2C)n1 ZINC001265814588 809860188 /nfs/dbraw/zinc/86/01/88/809860188.db2.gz BANXJCLZJMYZLO-LBPRGKRZSA-N 2 2 295.387 0.410 20 0 CCADLP Cc1noc(C[N@@H+](C)CCCNC(=O)[C@@H]2CCC[NH+]2C)n1 ZINC001265814588 809860191 /nfs/dbraw/zinc/86/01/91/809860191.db2.gz BANXJCLZJMYZLO-LBPRGKRZSA-N 2 2 295.387 0.410 20 0 CCADLP Cc1noc(C[NH+](C)CCCNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001265814588 809860194 /nfs/dbraw/zinc/86/01/94/809860194.db2.gz BANXJCLZJMYZLO-LBPRGKRZSA-N 2 2 295.387 0.410 20 0 CCADLP Cc1noc(C[NH+](C)CCCNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001265814588 809860198 /nfs/dbraw/zinc/86/01/98/809860198.db2.gz BANXJCLZJMYZLO-LBPRGKRZSA-N 2 2 295.387 0.410 20 0 CCADLP Cc1ccnc(C[NH2+]CCN(C)C(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001267354114 811200309 /nfs/dbraw/zinc/20/03/09/811200309.db2.gz ARWKBLNPZCPZKQ-CYBMUJFWSA-N 2 2 291.399 0.427 20 0 CCADLP Cc1ccnc(C[NH2+]CCN(C)C(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001267354114 811200318 /nfs/dbraw/zinc/20/03/18/811200318.db2.gz ARWKBLNPZCPZKQ-CYBMUJFWSA-N 2 2 291.399 0.427 20 0 CCADLP CCC[N@H+](CCO)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001098584428 811330706 /nfs/dbraw/zinc/33/07/06/811330706.db2.gz VRKIGCSHTBSBRG-UHFFFAOYSA-N 2 2 294.399 0.578 20 0 CCADLP CCC[N@@H+](CCO)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001098584428 811330716 /nfs/dbraw/zinc/33/07/16/811330716.db2.gz VRKIGCSHTBSBRG-UHFFFAOYSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@H]1CC[C@H](C[NH2+]CCN(C)C(=O)Cn2cc[nH+]c2)O1 ZINC001267479425 811364570 /nfs/dbraw/zinc/36/45/70/811364570.db2.gz UPBWOFLMUSFWMR-QWHCGFSZSA-N 2 2 280.372 0.499 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCOC[C@H]1CCO ZINC000694881146 811523353 /nfs/dbraw/zinc/52/33/53/811523353.db2.gz OGCVHGRAPBTLEH-CYBMUJFWSA-N 2 2 253.346 0.665 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CCOC[C@H]1CCO ZINC000694881146 811523358 /nfs/dbraw/zinc/52/33/58/811523358.db2.gz OGCVHGRAPBTLEH-CYBMUJFWSA-N 2 2 253.346 0.665 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCC1(C[NH2+]CCCO)CC1 ZINC001167742449 811819439 /nfs/dbraw/zinc/81/94/39/811819439.db2.gz KIEUVYQZANQGCJ-UHFFFAOYSA-N 2 2 294.399 0.221 20 0 CCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC[C@@H]1C[NH2+]CCF ZINC001267958068 811894518 /nfs/dbraw/zinc/89/45/18/811894518.db2.gz DGWSTMXTWLXCLV-TZMCWYRMSA-N 2 2 294.374 0.996 20 0 CCADLP Cc1nc(N[C@H](C)CNC(=O)CC[NH+](C)C)cc[nH+]1 ZINC001098236195 812082639 /nfs/dbraw/zinc/08/26/39/812082639.db2.gz DUTMPUVOIKAJKZ-SNVBAGLBSA-N 2 2 265.361 0.653 20 0 CCADLP O=C(NC[C@H]1CCC[N@@H+]1CCO)[C@H]1CCc2[nH+]ccn2C1 ZINC001027980041 812192368 /nfs/dbraw/zinc/19/23/68/812192368.db2.gz KTBGJFWVDNGDMT-QWHCGFSZSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(NC[C@@H]1CCC[N@H+]1CCO)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001028131045 812299870 /nfs/dbraw/zinc/29/98/70/812299870.db2.gz AZOXMYJRBCBFTC-RYUDHWBXSA-N 2 2 292.383 0.403 20 0 CCADLP O=C(NC[C@@H]1CCC[N@@H+]1CCO)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001028131045 812299875 /nfs/dbraw/zinc/29/98/75/812299875.db2.gz AZOXMYJRBCBFTC-RYUDHWBXSA-N 2 2 292.383 0.403 20 0 CCADLP CC(C)(C)CC[NH2+]C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001268326718 812488851 /nfs/dbraw/zinc/48/88/51/812488851.db2.gz NGRSYMQZIHSKML-NSHDSACASA-N 2 2 282.388 0.455 20 0 CCADLP CC(C)C[NH+]1CC(NC(=O)CCn2cc[nH+]c2)C1 ZINC001268432610 812565391 /nfs/dbraw/zinc/56/53/91/812565391.db2.gz DWJLMVMRSVIKFE-UHFFFAOYSA-N 2 2 250.346 0.730 20 0 CCADLP [NH2+]=C(Nc1ccc(N2CCOCC2)cn1)SCC[NH3+] ZINC001167910199 812588009 /nfs/dbraw/zinc/58/80/09/812588009.db2.gz PTRNKDDXNMPHCR-UHFFFAOYSA-N 2 2 281.385 0.957 20 0 CCADLP CN(C)c1ccc(-c2noc([C@H]3C[NH2+]C[C@@H]3[NH3+])n2)cc1 ZINC001211755280 812670091 /nfs/dbraw/zinc/67/00/91/812670091.db2.gz FHZXXVJUKDAWQG-RYUDHWBXSA-N 2 2 273.340 0.817 20 0 CCADLP CN(C)c1cccc(-c2noc([C@H]3C[NH2+]C[C@@H]3[NH3+])n2)c1 ZINC001211755244 812670587 /nfs/dbraw/zinc/67/05/87/812670587.db2.gz CREGARRPUVPPMF-RYUDHWBXSA-N 2 2 273.340 0.817 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1c1nc(-c2cccc(-n3cccn3)c2)no1 ZINC001211755440 812670713 /nfs/dbraw/zinc/67/07/13/812670713.db2.gz MZVHBUFZALUARI-STQMWFEESA-N 2 2 296.334 0.936 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCCF)C[C@H]32)C1 ZINC001075643882 812734414 /nfs/dbraw/zinc/73/44/14/812734414.db2.gz OJZIQXZBTGKQLL-BFHYXJOUSA-N 2 2 299.390 0.209 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](CCCF)C[C@H]32)C1 ZINC001075643882 812734417 /nfs/dbraw/zinc/73/44/17/812734417.db2.gz OJZIQXZBTGKQLL-BFHYXJOUSA-N 2 2 299.390 0.209 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCCF)C[C@H]32)C1 ZINC001075643882 812734421 /nfs/dbraw/zinc/73/44/21/812734421.db2.gz OJZIQXZBTGKQLL-BFHYXJOUSA-N 2 2 299.390 0.209 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCCF)C[C@H]32)C1 ZINC001075643882 812734422 /nfs/dbraw/zinc/73/44/22/812734422.db2.gz OJZIQXZBTGKQLL-BFHYXJOUSA-N 2 2 299.390 0.209 20 0 CCADLP CC[NH2+]C[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001268647588 812971885 /nfs/dbraw/zinc/97/18/85/812971885.db2.gz YDKIRJLCESIXSD-LLVKDONJSA-N 2 2 264.373 0.876 20 0 CCADLP COC[C@H](C)[NH2+]C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001268656603 812985937 /nfs/dbraw/zinc/98/59/37/812985937.db2.gz QCRTWUJKAGWDCX-NEPJUHHUSA-N 2 2 268.361 0.402 20 0 CCADLP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cnon1)[NH+](C)C ZINC001268711343 813027768 /nfs/dbraw/zinc/02/77/68/813027768.db2.gz FLRCCGPOFSXOQZ-GXSJLCMTSA-N 2 2 269.349 0.004 20 0 CCADLP O=C(NC[C@H]1CC[N@@H+](CCF)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001028641366 813100195 /nfs/dbraw/zinc/10/01/95/813100195.db2.gz FJGIKLPBTWSVDE-OLZOCXBDSA-N 2 2 294.374 0.853 20 0 CCADLP O=C(NC[C@H]1CC[N@H+](CCF)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001028641366 813100202 /nfs/dbraw/zinc/10/02/02/813100202.db2.gz FJGIKLPBTWSVDE-OLZOCXBDSA-N 2 2 294.374 0.853 20 0 CCADLP CN(CCC[NH2+]Cc1ccon1)C(=O)Cc1c[nH+]cn1C ZINC001268915283 813145647 /nfs/dbraw/zinc/14/56/47/813145647.db2.gz JKRKEFGIAGCEMC-UHFFFAOYSA-N 2 2 291.355 0.589 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1C[NH+](CCCF)C1 ZINC001268917135 813146766 /nfs/dbraw/zinc/14/67/66/813146766.db2.gz LISYVHAIPUKDOI-UHFFFAOYSA-N 2 2 254.309 0.291 20 0 CCADLP CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CCOC ZINC001269471402 813383743 /nfs/dbraw/zinc/38/37/43/813383743.db2.gz JIIOUDWJHNKDAW-JHJVBQTASA-N 2 2 294.399 0.654 20 0 CCADLP C[NH+](C)CCN1CC2(C1)CN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001269741368 813488072 /nfs/dbraw/zinc/48/80/72/813488072.db2.gz PIIXHNYUGSAXPK-UHFFFAOYSA-N 2 2 291.399 0.048 20 0 CCADLP C[C@H]1CC[C@H](C[NH2+]CCNC(=O)CCc2[nH]cc[nH+]2)O1 ZINC001126437010 813586572 /nfs/dbraw/zinc/58/65/72/813586572.db2.gz RGIRTUHCLKMJLM-NWDGAFQWSA-N 2 2 280.372 0.616 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]CC[C@H]1CCCO1 ZINC001126437215 813587749 /nfs/dbraw/zinc/58/77/49/813587749.db2.gz WFVDWCWICDEGMC-GFCCVEGCSA-N 2 2 280.372 0.617 20 0 CCADLP CO[C@H](C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1)C1CCC1 ZINC001126442499 813597435 /nfs/dbraw/zinc/59/74/35/813597435.db2.gz OJUMSLYLHOBVQS-CYBMUJFWSA-N 2 2 294.399 0.863 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)C[NH+](Cc1cn[nH]c1)C2 ZINC001270669658 813887708 /nfs/dbraw/zinc/88/77/08/813887708.db2.gz FLFQOXFEPQJTDY-ZDUSSCGKSA-N 2 2 289.383 0.148 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)C[NH+](Cc1cn[nH]c1)C2 ZINC001270669658 813887717 /nfs/dbraw/zinc/88/77/17/813887717.db2.gz FLFQOXFEPQJTDY-ZDUSSCGKSA-N 2 2 289.383 0.148 20 0 CCADLP CC[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001270804729 813941000 /nfs/dbraw/zinc/94/10/00/813941000.db2.gz FBMXKTHLHHFTTO-ZDUSSCGKSA-N 2 2 250.346 0.800 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCCF)C1 ZINC001029255607 814021583 /nfs/dbraw/zinc/02/15/83/814021583.db2.gz NQNYIISHHXKCGS-MJBXVCDLSA-N 2 2 299.390 0.352 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCCF)C1 ZINC001029255607 814021588 /nfs/dbraw/zinc/02/15/88/814021588.db2.gz NQNYIISHHXKCGS-MJBXVCDLSA-N 2 2 299.390 0.352 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCCF)C1 ZINC001029255607 814021595 /nfs/dbraw/zinc/02/15/95/814021595.db2.gz NQNYIISHHXKCGS-MJBXVCDLSA-N 2 2 299.390 0.352 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCF)C1 ZINC001029255607 814021603 /nfs/dbraw/zinc/02/16/03/814021603.db2.gz NQNYIISHHXKCGS-MJBXVCDLSA-N 2 2 299.390 0.352 20 0 CCADLP CC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](COCCOC)C2 ZINC001271081314 814142665 /nfs/dbraw/zinc/14/26/65/814142665.db2.gz NFERLEGBVMVRDB-UHFFFAOYSA-N 2 2 299.415 0.093 20 0 CCADLP CC[N@@H+](C)CC(=O)N1CC2(C1)CC[NH+](COCCOC)C2 ZINC001271081314 814142670 /nfs/dbraw/zinc/14/26/70/814142670.db2.gz NFERLEGBVMVRDB-UHFFFAOYSA-N 2 2 299.415 0.093 20 0 CCADLP CC[NH+](C)CC(=O)N1CC2(C1)CC[N@H+](COCCOC)C2 ZINC001271081314 814142676 /nfs/dbraw/zinc/14/26/76/814142676.db2.gz NFERLEGBVMVRDB-UHFFFAOYSA-N 2 2 299.415 0.093 20 0 CCADLP CC[NH+](C)CC(=O)N1CC2(C1)CC[N@@H+](COCCOC)C2 ZINC001271081314 814142681 /nfs/dbraw/zinc/14/26/81/814142681.db2.gz NFERLEGBVMVRDB-UHFFFAOYSA-N 2 2 299.415 0.093 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CCCO ZINC001087797616 814215477 /nfs/dbraw/zinc/21/54/77/814215477.db2.gz YVQUDWMAMRZIGS-UONOGXRCSA-N 2 2 294.399 0.314 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1CCCO ZINC001087797616 814215487 /nfs/dbraw/zinc/21/54/87/814215487.db2.gz YVQUDWMAMRZIGS-UONOGXRCSA-N 2 2 294.399 0.314 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CC[C@H]2CCCO2)C1 ZINC001030160738 815852131 /nfs/dbraw/zinc/85/21/31/815852131.db2.gz FXHDLYBJPZYTGQ-ZIAGYGMSSA-N 2 2 281.400 0.450 20 0 CCADLP CCC(CC)C[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001030183321 815873378 /nfs/dbraw/zinc/87/33/78/815873378.db2.gz REBNXFYAKUJINV-AWEZNQCLSA-N 2 2 283.416 0.554 20 0 CCADLP CCC(CC)C[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001030183321 815873386 /nfs/dbraw/zinc/87/33/86/815873386.db2.gz REBNXFYAKUJINV-AWEZNQCLSA-N 2 2 283.416 0.554 20 0 CCADLP O=C(NC1C[NH+](CCCF)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001030323365 815976649 /nfs/dbraw/zinc/97/66/49/815976649.db2.gz LGXLTCGRNBWFLX-CYBMUJFWSA-N 2 2 269.364 0.488 20 0 CCADLP C[C@@H]1[C@H](C(=O)NC2C[NH+](C[C@H]3CCCCO3)C2)CC[N@@H+]1C ZINC001030336965 815981324 /nfs/dbraw/zinc/98/13/24/815981324.db2.gz XFOXHFOCUUJZBX-BPLDGKMQSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H]1[C@H](C(=O)NC2C[NH+](C[C@H]3CCCCO3)C2)CC[N@H+]1C ZINC001030336965 815981329 /nfs/dbraw/zinc/98/13/29/815981329.db2.gz XFOXHFOCUUJZBX-BPLDGKMQSA-N 2 2 295.427 0.696 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001030433269 816037453 /nfs/dbraw/zinc/03/74/53/816037453.db2.gz XWLWQHSSRXROTE-KBPBESRZSA-N 2 2 297.443 0.800 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001030433269 816037460 /nfs/dbraw/zinc/03/74/60/816037460.db2.gz XWLWQHSSRXROTE-KBPBESRZSA-N 2 2 297.443 0.800 20 0 CCADLP CCC[NH+]1CC(NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001030440224 816040046 /nfs/dbraw/zinc/04/00/46/816040046.db2.gz JDPWDWOABPJMHC-GFCCVEGCSA-N 2 2 262.357 0.971 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC[N@@H+]1CCO ZINC001088849614 816069053 /nfs/dbraw/zinc/06/90/53/816069053.db2.gz YQULIBFEBKIKAG-WOPDTQHZSA-N 2 2 292.383 0.401 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC[N@H+]1CCO ZINC001088849614 816069059 /nfs/dbraw/zinc/06/90/59/816069059.db2.gz YQULIBFEBKIKAG-WOPDTQHZSA-N 2 2 292.383 0.401 20 0 CCADLP CCC[N@@H+]1CC[C@@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001272456169 816443619 /nfs/dbraw/zinc/44/36/19/816443619.db2.gz DBPMURVXFUQCSD-OAHLLOKOSA-N 2 2 292.383 0.633 20 0 CCADLP CCC[N@H+]1CC[C@@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001272456169 816443625 /nfs/dbraw/zinc/44/36/25/816443625.db2.gz DBPMURVXFUQCSD-OAHLLOKOSA-N 2 2 292.383 0.633 20 0 CCADLP C[C@H](F)CC[NH+]1CC(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001030959255 816504990 /nfs/dbraw/zinc/50/49/90/816504990.db2.gz FPUFKDBKGCFIQT-NEPJUHHUSA-N 2 2 271.380 0.877 20 0 CCADLP Oc1c(F)cc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)cc1F ZINC001234988677 816789838 /nfs/dbraw/zinc/78/98/38/816789838.db2.gz QPBLUWUTSZUPFM-CQSZACIVSA-N 2 2 283.322 0.808 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)O1 ZINC001235394078 816869801 /nfs/dbraw/zinc/86/98/01/816869801.db2.gz BSKURSWGSPZSEB-SDDRHHMPSA-N 3 2 271.380 0.720 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)O1 ZINC001235394078 816869808 /nfs/dbraw/zinc/86/98/08/816869808.db2.gz BSKURSWGSPZSEB-SDDRHHMPSA-N 3 2 271.380 0.720 20 0 CCADLP O=C(NCC1C[NH+](CCF)C1)c1ccc2c[nH+]cn2c1 ZINC001031849977 817417616 /nfs/dbraw/zinc/41/76/16/817417616.db2.gz JSSMUPOAADTVDU-UHFFFAOYSA-N 2 2 276.315 0.965 20 0 CCADLP C[C@@H](O)C[NH+]1CC(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001031968168 817505650 /nfs/dbraw/zinc/50/56/50/817505650.db2.gz PLFJPVNHXWSRDA-PWSUYJOCSA-N 2 2 292.383 0.258 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001031980437 817516436 /nfs/dbraw/zinc/51/64/36/817516436.db2.gz RCOMWJCIXCRGBM-CMPLNLGQSA-N 2 2 257.353 0.202 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001031980437 817516438 /nfs/dbraw/zinc/51/64/38/817516438.db2.gz RCOMWJCIXCRGBM-CMPLNLGQSA-N 2 2 257.353 0.202 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ncc(C2CC2)o1 ZINC001124837852 817591267 /nfs/dbraw/zinc/59/12/67/817591267.db2.gz PUWSBPHTMYYEBN-LBPRGKRZSA-N 2 2 292.383 0.852 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ncc(C2CC2)o1 ZINC001124837852 817591275 /nfs/dbraw/zinc/59/12/75/817591275.db2.gz PUWSBPHTMYYEBN-LBPRGKRZSA-N 2 2 292.383 0.852 20 0 CCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CCF ZINC001107078428 817714943 /nfs/dbraw/zinc/71/49/43/817714943.db2.gz HIRTZUJBMIGGNT-VXGBXAGGSA-N 2 2 268.336 0.537 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]([NH2+]CCCO)C12CCC2 ZINC001203531232 817728710 /nfs/dbraw/zinc/72/87/10/817728710.db2.gz QNYZGRUNAYINLF-RYUDHWBXSA-N 2 2 292.383 0.352 20 0 CCADLP Cc1nc(NC/C=C\CNC(=O)[C@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001107199163 817804733 /nfs/dbraw/zinc/80/47/33/817804733.db2.gz BNSAOAOJGWMBME-SCOBNMCVSA-N 2 2 289.383 0.821 20 0 CCADLP Cc1nc(NC/C=C\CNC(=O)[C@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001107199163 817804741 /nfs/dbraw/zinc/80/47/41/817804741.db2.gz BNSAOAOJGWMBME-SCOBNMCVSA-N 2 2 289.383 0.821 20 0 CCADLP C[C@@H](F)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001032814531 818034976 /nfs/dbraw/zinc/03/49/76/818034976.db2.gz AONMUZYMCLGOQQ-AGIUHOORSA-N 2 2 280.347 0.916 20 0 CCADLP C[C@@H](F)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001032814531 818034982 /nfs/dbraw/zinc/03/49/82/818034982.db2.gz AONMUZYMCLGOQQ-AGIUHOORSA-N 2 2 280.347 0.916 20 0 CCADLP CC[C@@H](C(=O)NCc1cnn2c1C[N@H+](CC)CC2)[NH+](C)C ZINC001128499585 818477223 /nfs/dbraw/zinc/47/72/23/818477223.db2.gz OVPKTAHFDFPVNW-ZDUSSCGKSA-N 2 2 293.415 0.675 20 0 CCADLP CC[C@@H](C(=O)NCc1cnn2c1C[N@@H+](CC)CC2)[NH+](C)C ZINC001128499585 818477230 /nfs/dbraw/zinc/47/72/30/818477230.db2.gz OVPKTAHFDFPVNW-ZDUSSCGKSA-N 2 2 293.415 0.675 20 0 CCADLP CCN(C)c1cc(NC(=[NH2+])N2CC[NH+](C)CC2)ncn1 ZINC001168735535 818536190 /nfs/dbraw/zinc/53/61/90/818536190.db2.gz SGYHLVWGWMHIHA-UHFFFAOYSA-N 2 2 277.376 0.527 20 0 CCADLP CC(=O)NCc1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)nc1 ZINC001168736010 818541472 /nfs/dbraw/zinc/54/14/72/818541472.db2.gz XRBCNRJYPLNIAO-UHFFFAOYSA-N 2 2 290.371 0.312 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@@]1(C)C[N@H+](C(C)C)CCO1 ZINC001108076281 818563724 /nfs/dbraw/zinc/56/37/24/818563724.db2.gz 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ZINC001033618703 818854031 /nfs/dbraw/zinc/85/40/31/818854031.db2.gz HSJVTGOWMIJXCF-LBPRGKRZSA-N 2 2 280.372 0.440 20 0 CCADLP COCC[N@H+]1CC[C@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033618703 818854038 /nfs/dbraw/zinc/85/40/38/818854038.db2.gz HSJVTGOWMIJXCF-LBPRGKRZSA-N 2 2 280.372 0.440 20 0 CCADLP C[NH+](C)C[C@H](N)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000702339026 819109002 /nfs/dbraw/zinc/10/90/02/819109002.db2.gz CPESKKAEYBZSMF-ZDUSSCGKSA-N 2 2 273.340 0.700 20 0 CCADLP C[C@H](F)CC[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128967119 819234774 /nfs/dbraw/zinc/23/47/74/819234774.db2.gz BWLYHSRXXYILNG-JTQLQIEISA-N 2 2 256.325 0.796 20 0 CCADLP C[C@H](F)CC[NH2+]CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001128967119 819234780 /nfs/dbraw/zinc/23/47/80/819234780.db2.gz BWLYHSRXXYILNG-JTQLQIEISA-N 2 2 256.325 0.796 20 0 CCADLP C[C@H]1C[C@H](C[NH2+]CCNC(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001128967516 819236183 /nfs/dbraw/zinc/23/61/83/819236183.db2.gz UOGZDZYDPYRBNG-QWHCGFSZSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@H]1C[C@H](C[NH2+]CCNC(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC001128967516 819236190 /nfs/dbraw/zinc/23/61/90/819236190.db2.gz UOGZDZYDPYRBNG-QWHCGFSZSA-N 2 2 294.399 0.863 20 0 CCADLP CO[C@@H](C[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1)C1CCC1 ZINC001128967725 819236990 /nfs/dbraw/zinc/23/69/90/819236990.db2.gz YYRZBJFCOICITF-AWEZNQCLSA-N 2 2 294.399 0.863 20 0 CCADLP CO[C@@H](C[NH2+]CCNC(=O)CCc1c[nH+]c[nH]1)C1CCC1 ZINC001128967725 819236998 /nfs/dbraw/zinc/23/69/98/819236998.db2.gz YYRZBJFCOICITF-AWEZNQCLSA-N 2 2 294.399 0.863 20 0 CCADLP CC1(C)CO[C@H](C[NH2+]CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001128967262 819237753 /nfs/dbraw/zinc/23/77/53/819237753.db2.gz ISGBKRWQLBQQLV-ZDUSSCGKSA-N 2 2 294.399 0.863 20 0 CCADLP CC1(C)CO[C@H](C[NH2+]CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001128967262 819237759 /nfs/dbraw/zinc/23/77/59/819237759.db2.gz ISGBKRWQLBQQLV-ZDUSSCGKSA-N 2 2 294.399 0.863 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[N@@H+](CCF)C1 ZINC001034546985 819240857 /nfs/dbraw/zinc/24/08/57/819240857.db2.gz MBGHNTOHTRBBCD-GFCCVEGCSA-N 2 2 268.336 0.823 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[N@H+](CCF)C1 ZINC001034546985 819240864 /nfs/dbraw/zinc/24/08/64/819240864.db2.gz MBGHNTOHTRBBCD-GFCCVEGCSA-N 2 2 268.336 0.823 20 0 CCADLP Cc1csc(=O)n1CC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703539137 819288603 /nfs/dbraw/zinc/28/86/03/819288603.db2.gz XMJDRSBRMAXQJM-WCQYABFASA-N 2 2 267.398 0.760 20 0 CCADLP Cc1csc(=O)n1CC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703539137 819288609 /nfs/dbraw/zinc/28/86/09/819288609.db2.gz XMJDRSBRMAXQJM-WCQYABFASA-N 2 2 267.398 0.760 20 0 CCADLP Cc1cncc(C[NH2+]CCNC(=O)CCc2c[nH]c[nH+]2)c1 ZINC001128986267 819290901 /nfs/dbraw/zinc/29/09/01/819290901.db2.gz NUKSJCXFABQMQN-UHFFFAOYSA-N 2 2 287.367 0.952 20 0 CCADLP Cc1cncc(C[NH2+]CCNC(=O)CCc2c[nH+]c[nH]2)c1 ZINC001128986267 819290904 /nfs/dbraw/zinc/29/09/04/819290904.db2.gz NUKSJCXFABQMQN-UHFFFAOYSA-N 2 2 287.367 0.952 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+]CCO)[C@@H](C)C1 ZINC001036280181 819718368 /nfs/dbraw/zinc/71/83/68/819718368.db2.gz HLQDYARRZVJUQB-CMPLNLGQSA-N 2 2 280.372 0.080 20 0 CCADLP C[C@H]1CN(C(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CCO1 ZINC000709920517 819816071 /nfs/dbraw/zinc/81/60/71/819816071.db2.gz PZCXCQIOUDTTRC-ZFWWWQNUSA-N 2 2 281.400 0.309 20 0 CCADLP C[C@H]1CN(C(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CCO1 ZINC000709920517 819816080 /nfs/dbraw/zinc/81/60/80/819816080.db2.gz PZCXCQIOUDTTRC-ZFWWWQNUSA-N 2 2 281.400 0.309 20 0 CCADLP C[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001079494880 820412040 /nfs/dbraw/zinc/41/20/40/820412040.db2.gz QQIATXNSPDRKKB-IJLUTSLNSA-N 2 2 257.353 0.487 20 0 CCADLP C[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001079494880 820412045 /nfs/dbraw/zinc/41/20/45/820412045.db2.gz QQIATXNSPDRKKB-IJLUTSLNSA-N 2 2 257.353 0.487 20 0 CCADLP C[C@@H]1C[NH+](CCF)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001079494880 820412050 /nfs/dbraw/zinc/41/20/50/820412050.db2.gz QQIATXNSPDRKKB-IJLUTSLNSA-N 2 2 257.353 0.487 20 0 CCADLP C[C@@H]1C[NH+](CCF)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001079494880 820412055 /nfs/dbraw/zinc/41/20/55/820412055.db2.gz QQIATXNSPDRKKB-IJLUTSLNSA-N 2 2 257.353 0.487 20 0 CCADLP CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001084462293 821294422 /nfs/dbraw/zinc/29/44/22/821294422.db2.gz HNSGRYAODXQIEZ-GZBFAFLISA-N 2 2 288.395 0.998 20 0 CCADLP CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001084462293 821294428 /nfs/dbraw/zinc/29/44/28/821294428.db2.gz HNSGRYAODXQIEZ-GZBFAFLISA-N 2 2 288.395 0.998 20 0 CCADLP C[C@@H](CC(=O)N1C[C@H]2CC[N@H+](CCO)C[C@H]21)n1cc[nH+]c1 ZINC001084691994 821352952 /nfs/dbraw/zinc/35/29/52/821352952.db2.gz NVVZTNGPAFUWCJ-BFHYXJOUSA-N 2 2 292.383 0.359 20 0 CCADLP C[C@@H](CC(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21)n1cc[nH+]c1 ZINC001084691994 821352961 /nfs/dbraw/zinc/35/29/61/821352961.db2.gz NVVZTNGPAFUWCJ-BFHYXJOUSA-N 2 2 292.383 0.359 20 0 CCADLP CN(C)c1cccc(NC[C@@H]2C[N@H+](C)CCO2)[nH+]1 ZINC001155193405 822084271 /nfs/dbraw/zinc/08/42/71/822084271.db2.gz GNGJNYNIQFDEDB-LLVKDONJSA-N 2 2 250.346 0.890 20 0 CCADLP CN(C)c1cccc(NC[C@@H]2C[N@@H+](C)CCO2)[nH+]1 ZINC001155193405 822084279 /nfs/dbraw/zinc/08/42/79/822084279.db2.gz GNGJNYNIQFDEDB-LLVKDONJSA-N 2 2 250.346 0.890 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)[C@H](C2CC2)[NH+](C)C)oc1C ZINC001129435140 837509573 /nfs/dbraw/zinc/50/95/73/837509573.db2.gz BWQOZCUWMPYDDB-AWEZNQCLSA-N 2 2 294.399 0.837 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)CC[C@@H]2CCC[N@H+]2C)o1 ZINC001129856882 837569681 /nfs/dbraw/zinc/56/96/81/837569681.db2.gz ZJOPDRWLFSFVAV-LBPRGKRZSA-N 2 2 295.387 0.458 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)o1 ZINC001129856882 837569686 /nfs/dbraw/zinc/56/96/86/837569686.db2.gz ZJOPDRWLFSFVAV-LBPRGKRZSA-N 2 2 295.387 0.458 20 0 CCADLP CC(C)C[C@H](C(=O)NCC[NH2+]CCO)n1cc[nH+]c1 ZINC001130006409 837613067 /nfs/dbraw/zinc/61/30/67/837613067.db2.gz GGYQNOMVORMRMI-GFCCVEGCSA-N 2 2 268.361 0.168 20 0 CCADLP CCN(CC)c1cc(NC(=[NH2+])N2CC[NH+](C)CC2)ncn1 ZINC001157915626 837690758 /nfs/dbraw/zinc/69/07/58/837690758.db2.gz UHEKJGJBKUHDRG-UHFFFAOYSA-N 2 2 291.403 0.917 20 0 CCADLP COC[C@@H](C)[NH2+]CCNC(=O)Cc1c[nH+]ccc1OC ZINC001130176259 837712696 /nfs/dbraw/zinc/71/26/96/837712696.db2.gz HXVVQNCJAMKICM-LLVKDONJSA-N 2 2 281.356 0.373 20 0 CCADLP CC[C@H](C(=O)NCC[NH2+][C@H](C)c1ncccn1)[NH+](C)C ZINC001130205289 837724631 /nfs/dbraw/zinc/72/46/31/837724631.db2.gz JPDVXYFNITVNHJ-VXGBXAGGSA-N 2 2 279.388 0.584 20 0 CCADLP C[C@H](O)CCC[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130477901 837801025 /nfs/dbraw/zinc/80/10/25/837801025.db2.gz NNTYYDPUOGGOCZ-QWHCGFSZSA-N 2 2 294.399 0.312 20 0 CCADLP C[C@@H](O)CCC[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130487747 837810407 /nfs/dbraw/zinc/81/04/07/837810407.db2.gz KAPITKKVSQQTFK-CHWSQXEVSA-N 2 2 294.399 0.312 20 0 CCADLP COC[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130488359 837810576 /nfs/dbraw/zinc/81/05/76/837810576.db2.gz PUFJDSMXEWDAJE-NEPJUHHUSA-N 2 2 280.372 0.186 20 0 CCADLP COCC[NH2+]CCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001130490904 837812044 /nfs/dbraw/zinc/81/20/44/837812044.db2.gz IRIZEHCBDZXTHY-NSHDSACASA-N 2 2 280.372 0.175 20 0 CCADLP COCC[NH2+]CCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001130490904 837812057 /nfs/dbraw/zinc/81/20/57/837812057.db2.gz IRIZEHCBDZXTHY-NSHDSACASA-N 2 2 280.372 0.175 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001183373664 844015312 /nfs/dbraw/zinc/01/53/12/844015312.db2.gz CIBZLTALDGRDBW-TXEJJXNPSA-N 2 2 280.372 0.486 20 0 CCADLP C[C@H](O)C[NH2+]C[C@]1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001183584252 844046666 /nfs/dbraw/zinc/04/66/66/844046666.db2.gz LBDMUWQRBDSMGE-VNHYZAJKSA-N 2 2 294.399 0.338 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2COC[C@H]2[NH3+])CN1C(=O)OC(C)(C)C ZINC001168813597 836010744 /nfs/dbraw/zinc/01/07/44/836010744.db2.gz VDUXCNCGTAXVAJ-DDHJBXDOSA-N 2 2 285.388 0.700 20 0 CCADLP C[C@@]1(CNC(=O)Cn2cc[nH+]c2)C[N@H+](CC2CC2)CCO1 ZINC001108436273 836113426 /nfs/dbraw/zinc/11/34/26/836113426.db2.gz KPDLMZOCZNRNRQ-OAHLLOKOSA-N 2 2 292.383 0.500 20 0 CCADLP C[C@@]1(CNC(=O)Cn2cc[nH+]c2)C[N@@H+](CC2CC2)CCO1 ZINC001108436273 836113431 /nfs/dbraw/zinc/11/34/31/836113431.db2.gz KPDLMZOCZNRNRQ-OAHLLOKOSA-N 2 2 292.383 0.500 20 0 CCADLP CSc1ncc(F)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169066709 836123147 /nfs/dbraw/zinc/12/31/47/836123147.db2.gz GSSLALVJBDRFKS-SSDOTTSWSA-N 2 2 283.332 0.385 20 0 CCADLP CC(C)Oc1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cn1 ZINC001169073200 836127287 /nfs/dbraw/zinc/12/72/87/836127287.db2.gz CEHPFECQFOPIJP-LLVKDONJSA-N 2 2 276.340 0.917 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc(N2CCCC2)nc1 ZINC001169073234 836127308 /nfs/dbraw/zinc/12/73/08/836127308.db2.gz DSTMEMBMXDEJPH-GFCCVEGCSA-N 2 2 287.367 0.730 20 0 CCADLP COc1ncc(C)cc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169075716 836128260 /nfs/dbraw/zinc/12/82/60/836128260.db2.gz VWZDRTHUYBWBKR-SNVBAGLBSA-N 2 2 262.313 0.446 20 0 CCADLP Cn1cnc2ccc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)cc21 ZINC001169074598 836129128 /nfs/dbraw/zinc/12/91/28/836129128.db2.gz TWNGVTCLVJYIQX-SNVBAGLBSA-N 2 2 271.324 0.621 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Nc2cccc3c2C[NH2+]CC3)C[NH2+]1 ZINC001169132545 836148354 /nfs/dbraw/zinc/14/83/54/836148354.db2.gz PYECJEVBQVLRLU-RISCZKNCSA-N 2 2 275.352 0.648 20 0 CCADLP Cc1cc(C[NH2+]CCCNC(=O)Cc2[nH]cc[nH+]2)on1 ZINC001169198804 836159048 /nfs/dbraw/zinc/15/90/48/836159048.db2.gz BHWYYVSUQJGKIE-UHFFFAOYSA-N 2 2 277.328 0.545 20 0 CCADLP Cc1cc(C[NH2+]CCCNC(=O)Cc2[nH]cc[nH+]2)ncn1 ZINC001169212002 836159766 /nfs/dbraw/zinc/15/97/66/836159766.db2.gz NXKIPZIAUGFLAS-UHFFFAOYSA-N 2 2 288.355 0.347 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]CC[C@H]1CCOC1 ZINC001169212514 836162033 /nfs/dbraw/zinc/16/20/33/836162033.db2.gz UWAGEWCSWSEJDS-LBPRGKRZSA-N 2 2 280.372 0.475 20 0 CCADLP CCCCOCC[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169239101 836171823 /nfs/dbraw/zinc/17/18/23/836171823.db2.gz VGIRJFCEPLGXCS-UHFFFAOYSA-N 2 2 282.388 0.865 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])N[C@@H]2CCCC3(C2)OCCO3)CC1 ZINC001169911089 836477134 /nfs/dbraw/zinc/47/71/34/836477134.db2.gz ZHHWROVVFJSPFR-GFCCVEGCSA-N 2 2 282.388 0.444 20 0 CCADLP c1[nH+]c(C2C[NH2+]C2)c2ccc(NC[C@@H]3COCC[NH2+]3)cn12 ZINC001170042243 836772591 /nfs/dbraw/zinc/77/25/91/836772591.db2.gz BIVMTKGRHNWTJE-CYBMUJFWSA-N 3 2 287.367 0.421 20 0 CCADLP CN(CCO)c1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001157386337 836976358 /nfs/dbraw/zinc/97/63/58/836976358.db2.gz SUHMFJTWUYUYMB-UHFFFAOYSA-N 2 2 250.346 0.262 20 0 CCADLP C[C@@H]1CCC[C@H](C)N1C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157450889 837015633 /nfs/dbraw/zinc/01/56/33/837015633.db2.gz HKGJJEKFKJJYBY-GFQSEFKGSA-N 2 2 251.374 0.727 20 0 CCADLP C[NH+](C)CCC(=O)N1CC[NH+](CCc2ccns2)CC1 ZINC001113301721 837079376 /nfs/dbraw/zinc/07/93/76/837079376.db2.gz VFOUVMLISJXBGY-UHFFFAOYSA-N 2 2 296.440 0.782 20 0 CCADLP Cc1nc(N(C)[C@H](C)CNC(=O)CC[NH+](C)C)cc[nH+]1 ZINC001113847789 837339783 /nfs/dbraw/zinc/33/97/83/837339783.db2.gz QBNCJNZOPGARTH-LLVKDONJSA-N 2 2 279.388 0.678 20 0 CCADLP CSc1nc(Cl)ncc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158204959 837983215 /nfs/dbraw/zinc/98/32/15/837983215.db2.gz YCCKTHQYGFALSO-SSDOTTSWSA-N 2 2 299.787 0.900 20 0 CCADLP C[C@@H](O)CCC[NH2+]CCNC(=O)c1cccc2[nH+]ccn21 ZINC001131270469 838029398 /nfs/dbraw/zinc/02/93/98/838029398.db2.gz KSWDMEDLAUYGPW-GFCCVEGCSA-N 2 2 290.367 0.815 20 0 CCADLP C[C@H](Nc1ccc2c([nH+]1)CCOC2)[C@H]1C[NH2+]CCO1 ZINC001170561896 838103005 /nfs/dbraw/zinc/10/30/05/838103005.db2.gz GVYIKWDCNDZOFD-GXFFZTMASA-N 2 2 263.341 0.943 20 0 CCADLP Cc1[nH+]ccn1-c1cc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)ncn1 ZINC001170562740 838111849 /nfs/dbraw/zinc/11/18/49/838111849.db2.gz JJAYYSSJMBIRMT-JQWIXIFHSA-N 2 2 288.355 0.760 20 0 CCADLP COCCC[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131653372 838167090 /nfs/dbraw/zinc/16/70/90/838167090.db2.gz QQCAUYFMEMECRA-UHFFFAOYSA-N 2 2 268.361 0.095 20 0 CCADLP O=C(NCC[NH2+]CCCO)c1ccc(-n2cc[nH+]c2)cc1 ZINC001131969413 838286956 /nfs/dbraw/zinc/28/69/56/838286956.db2.gz GTJAFIGLNIGDFO-UHFFFAOYSA-N 2 2 288.351 0.574 20 0 CCADLP COC[C@H](C)[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132082321 838314459 /nfs/dbraw/zinc/31/44/59/838314459.db2.gz LLGUUDKTISIYNB-NSHDSACASA-N 2 2 254.334 0.014 20 0 CCADLP C[C@@H]1CC[C@H](C[NH2+]CCNC(=O)CCn2cc[nH+]c2)O1 ZINC001132082971 838315064 /nfs/dbraw/zinc/31/50/64/838315064.db2.gz ZLKVSKGSWGRWJO-CHWSQXEVSA-N 2 2 280.372 0.547 20 0 CCADLP CC(C)[NH2+]CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001132784318 838494731 /nfs/dbraw/zinc/49/47/31/838494731.db2.gz PQRYSTCDIUNTEB-CQSZACIVSA-N 2 2 283.416 0.744 20 0 CCADLP CC(C)[NH2+]CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001132784318 838494737 /nfs/dbraw/zinc/49/47/37/838494737.db2.gz PQRYSTCDIUNTEB-CQSZACIVSA-N 2 2 283.416 0.744 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)C2(C[NH+](C)C)CC2)o1 ZINC001132995089 838533394 /nfs/dbraw/zinc/53/33/94/838533394.db2.gz LQNWSKXFPDMACQ-JTQLQIEISA-N 2 2 295.387 0.487 20 0 CCADLP CC(C)Cc1noc(C[NH2+]CCNC(=O)CC[NH+](C)C)n1 ZINC001133294459 838591098 /nfs/dbraw/zinc/59/10/98/838591098.db2.gz JVODBYKFFUGPCW-UHFFFAOYSA-N 2 2 297.403 0.426 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C)c1csnn1 ZINC001133823793 838724641 /nfs/dbraw/zinc/72/46/41/838724641.db2.gz OPVLRGOHGVOTKZ-MNOVXSKESA-N 2 2 297.428 0.789 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C)c1csnn1 ZINC001133823793 838724653 /nfs/dbraw/zinc/72/46/53/838724653.db2.gz OPVLRGOHGVOTKZ-MNOVXSKESA-N 2 2 297.428 0.789 20 0 CCADLP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]Cc1csnn1 ZINC001133834061 838734123 /nfs/dbraw/zinc/73/41/23/838734123.db2.gz MTYQBKMKNUYQDL-SNVBAGLBSA-N 2 2 283.401 0.228 20 0 CCADLP COCC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001185204952 844363373 /nfs/dbraw/zinc/36/33/73/844363373.db2.gz LDHVXXXXXDZPFC-OLZOCXBDSA-N 2 2 294.399 0.673 20 0 CCADLP CC[C@@H](C(=O)NCC[NH2+][C@H](C)c1ncccn1)[NH+](C)C ZINC001133965772 838794417 /nfs/dbraw/zinc/79/44/17/838794417.db2.gz JPDVXYFNITVNHJ-NEPJUHHUSA-N 2 2 279.388 0.584 20 0 CCADLP COc1ccc(C[NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC001134406899 838962032 /nfs/dbraw/zinc/96/20/32/838962032.db2.gz HHCBWAPBAVROSS-UHFFFAOYSA-N 2 2 289.339 0.262 20 0 CCADLP COc1cccc(C[NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001134393598 838964917 /nfs/dbraw/zinc/96/49/17/838964917.db2.gz PLEFYVHPKBJNSL-UHFFFAOYSA-N 2 2 288.351 0.867 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]C[C@@H](O)c1ccccc1 ZINC001134393282 838965282 /nfs/dbraw/zinc/96/52/82/838965282.db2.gz NNFWZWDKILRHJW-CQSZACIVSA-N 2 2 288.351 0.392 20 0 CCADLP CC[NH2+]CCNC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001134617244 839023196 /nfs/dbraw/zinc/02/31/96/839023196.db2.gz IZOSCFLSLXDZOY-UHFFFAOYSA-N 2 2 269.389 0.357 20 0 CCADLP COC(=O)c1cc2[nH+]c[nH]c2c(N[C@H]2C[NH2+]C[C@@H]2CO)c1 ZINC001170778261 839108060 /nfs/dbraw/zinc/10/80/60/839108060.db2.gz GDLJDERVKNOJFE-SKDRFNHKSA-N 2 2 290.323 0.342 20 0 CCADLP CC(C)OCC[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001135071561 839151389 /nfs/dbraw/zinc/15/13/89/839151389.db2.gz HOPMSLIOWQGJOS-LBPRGKRZSA-N 2 2 282.388 0.719 20 0 CCADLP CC(C)OCC[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001135071561 839151395 /nfs/dbraw/zinc/15/13/95/839151395.db2.gz HOPMSLIOWQGJOS-LBPRGKRZSA-N 2 2 282.388 0.719 20 0 CCADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1C[NH2+]CCF ZINC001185380092 844406858 /nfs/dbraw/zinc/40/68/58/844406858.db2.gz IRQAQFDFDKYPFV-NWDGAFQWSA-N 2 2 282.363 0.996 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)NCC[NH2+]Cc1ccon1 ZINC001135304825 839203671 /nfs/dbraw/zinc/20/36/71/839203671.db2.gz DCTHIHUROJPGPR-UHFFFAOYSA-N 2 2 291.355 0.866 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CCC[C@H]1CCOC1 ZINC001135758053 839395393 /nfs/dbraw/zinc/39/53/93/839395393.db2.gz WTDXJPNXQGZAGB-LBPRGKRZSA-N 2 2 280.372 0.475 20 0 CCADLP Cc1cncc(C[NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001135760648 839395540 /nfs/dbraw/zinc/39/55/40/839395540.db2.gz RVWRGDLAEPKOKT-UHFFFAOYSA-N 2 2 273.340 0.562 20 0 CCADLP C[C@H]1CC[C@H]([NH2+]C[C@@H](O)COCc2ccco2)C[NH2+]1 ZINC001245977592 839575784 /nfs/dbraw/zinc/57/57/84/839575784.db2.gz YLHTTYSMERSWRZ-RWMBFGLXSA-N 2 2 268.357 0.887 20 0 CCADLP [NH3+][C@@H]1COC[C@H]1[NH2+][C@H]1CCc2cccc(F)c2C1 ZINC001170953733 839604779 /nfs/dbraw/zinc/60/47/79/839604779.db2.gz ARHUBGMLXCCTTL-ZLKJLUDKSA-N 2 2 250.317 0.999 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@]2(C)CC[NH2+]C2)C[NH2+]1 ZINC001246096593 839608672 /nfs/dbraw/zinc/60/86/72/839608672.db2.gz LGQCMQTXIOXPMI-COPLHBTASA-N 2 2 269.389 0.400 20 0 CCADLP C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC001246099969 839612200 /nfs/dbraw/zinc/61/22/00/839612200.db2.gz BQMFYTNJCUVCMX-FRRDWIJNSA-N 2 2 269.389 0.211 20 0 CCADLP C([NH2+][C@H]1CCC[NH2+]CC1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001246127702 839633988 /nfs/dbraw/zinc/63/39/88/839633988.db2.gz OXKVFMMOBQJTFJ-UONOGXRCSA-N 3 2 266.433 0.592 20 0 CCADLP CC(C)C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001090599437 839665204 /nfs/dbraw/zinc/66/52/04/839665204.db2.gz FWVSAIYVVKQQRR-CHWSQXEVSA-N 2 2 280.372 0.160 20 0 CCADLP CC(C)C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001090599437 839665210 /nfs/dbraw/zinc/66/52/10/839665210.db2.gz FWVSAIYVVKQQRR-CHWSQXEVSA-N 2 2 280.372 0.160 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@H](NC[C@H]2CCC[NH2+]2)C[NH2+]1 ZINC001246187621 839666209 /nfs/dbraw/zinc/66/62/09/839666209.db2.gz RGBMHGDPTHKIDD-WOPDTQHZSA-N 2 2 269.389 0.400 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[N@@H+](CC2CCC2)C[C@H]1O ZINC001090679544 839731740 /nfs/dbraw/zinc/73/17/40/839731740.db2.gz OPIUQEYVCNIXAH-CHWSQXEVSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[N@H+](CC2CCC2)C[C@H]1O ZINC001090679544 839731744 /nfs/dbraw/zinc/73/17/44/839731744.db2.gz OPIUQEYVCNIXAH-CHWSQXEVSA-N 2 2 292.383 0.304 20 0 CCADLP CCOC(=O)[C@H]1CCCCN1C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001160583410 840028985 /nfs/dbraw/zinc/02/89/85/840028985.db2.gz XLEOJOZKZCOPAE-VXGBXAGGSA-N 2 2 294.355 0.224 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC001246562552 840029499 /nfs/dbraw/zinc/02/94/99/840029499.db2.gz UHFDMBMGECWQRD-CBBWQLFWSA-N 3 2 267.417 0.835 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC001246562552 840029507 /nfs/dbraw/zinc/02/95/07/840029507.db2.gz UHFDMBMGECWQRD-CBBWQLFWSA-N 3 2 267.417 0.835 20 0 CCADLP CC[NH2+]C1CC(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001091105470 840049764 /nfs/dbraw/zinc/04/97/64/840049764.db2.gz NNJHOBCFECHOCV-OTTFEQOBSA-N 2 2 276.384 0.950 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CCC(=O)C(F)(F)C2)cc1 ZINC001160662901 840110411 /nfs/dbraw/zinc/11/04/11/840110411.db2.gz FSQFIFQVSAFYSQ-NSHDSACASA-N 2 2 297.305 0.695 20 0 CCADLP CC(C)C[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171243513 840186405 /nfs/dbraw/zinc/18/64/05/840186405.db2.gz CLKSKFHSWHKCLQ-UHFFFAOYSA-N 2 2 252.362 0.715 20 0 CCADLP CCOC(=O)C[NH+]1CCC(N2CC[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246653337 840233884 /nfs/dbraw/zinc/23/38/84/840233884.db2.gz HYIKKZHYLMSATA-SWLSCSKDSA-N 2 2 281.400 0.437 20 0 CCADLP C[C@@H]1CC[C@@H](N2CC[NH+](C3(C)CC[NH2+]CC3)CC2)C[NH2+]1 ZINC001246808007 840255381 /nfs/dbraw/zinc/25/53/81/840255381.db2.gz AXKOWCDWQVTGFZ-HUUCEWRRSA-N 3 2 280.460 0.887 20 0 CCADLP C[C@H](C[C@H](C)NC(=O)CCCn1cc[nH+]c1)[NH2+]CCO ZINC001146715915 840350715 /nfs/dbraw/zinc/35/07/15/840350715.db2.gz WZCGDZRRGPHXJP-OLZOCXBDSA-N 2 2 282.388 0.529 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)Cc1c[nH+]cn1C)c1cnccn1 ZINC001147871813 840708087 /nfs/dbraw/zinc/70/80/87/840708087.db2.gz MUMKDTGFIXXGNT-NSHDSACASA-N 2 2 288.355 0.220 20 0 CCADLP C[C@H](F)CC[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147871570 840708752 /nfs/dbraw/zinc/70/87/52/840708752.db2.gz CEBZZHSHSQKMES-JTQLQIEISA-N 2 2 256.325 0.417 20 0 CCADLP CC(C)COCC[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147871589 840709135 /nfs/dbraw/zinc/70/91/35/840709135.db2.gz CRLJUBDVHGQROT-UHFFFAOYSA-N 2 2 282.388 0.341 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)C[C@H]2CC[N@@H+](C)C2)o1 ZINC001147877041 840710787 /nfs/dbraw/zinc/71/07/87/840710787.db2.gz DFCFNRFRNXAWPM-GFCCVEGCSA-N 2 2 294.399 0.785 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)C[C@H]2CC[N@H+](C)C2)o1 ZINC001147877041 840710778 /nfs/dbraw/zinc/71/07/78/840710778.db2.gz DFCFNRFRNXAWPM-GFCCVEGCSA-N 2 2 294.399 0.785 20 0 CCADLP CC(C)OCCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186575902 844570495 /nfs/dbraw/zinc/57/04/95/844570495.db2.gz IBVMQFXLQDQRRX-CYBMUJFWSA-N 2 2 294.399 0.958 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH2+][C@H](C)c1nnc(CC)[nH]1 ZINC001148642927 840863270 /nfs/dbraw/zinc/86/32/70/840863270.db2.gz QRPIALUCPYYMER-LLVKDONJSA-N 2 2 296.419 0.476 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@H](C)c1nnc(CC)[nH]1 ZINC001148642927 840863275 /nfs/dbraw/zinc/86/32/75/840863275.db2.gz QRPIALUCPYYMER-LLVKDONJSA-N 2 2 296.419 0.476 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1nnc(CC)o1 ZINC001148638810 840874060 /nfs/dbraw/zinc/87/40/60/840874060.db2.gz SRUJBPRMUBNKJL-UHFFFAOYSA-N 2 2 283.376 0.180 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1nnc(CC)o1 ZINC001148638810 840874067 /nfs/dbraw/zinc/87/40/67/840874067.db2.gz SRUJBPRMUBNKJL-UHFFFAOYSA-N 2 2 283.376 0.180 20 0 CCADLP C[C@]12CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]1C[N@H+](CCCO)C2 ZINC001092130604 840993265 /nfs/dbraw/zinc/99/32/65/840993265.db2.gz CLTQENAJWLMHPZ-DOMZBBRYSA-N 2 2 292.383 0.115 20 0 CCADLP C[C@]12CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]1C[N@@H+](CCCO)C2 ZINC001092130604 840993274 /nfs/dbraw/zinc/99/32/74/840993274.db2.gz CLTQENAJWLMHPZ-DOMZBBRYSA-N 2 2 292.383 0.115 20 0 CCADLP COCC[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001092319526 841007946 /nfs/dbraw/zinc/00/79/46/841007946.db2.gz PYOMVVAHROKZAN-HIFRSBDPSA-N 2 2 292.383 0.310 20 0 CCADLP COCC[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001092319526 841007954 /nfs/dbraw/zinc/00/79/54/841007954.db2.gz PYOMVVAHROKZAN-HIFRSBDPSA-N 2 2 292.383 0.310 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@@H]1CC2(CO1)CCOCC2 ZINC000712626929 841101892 /nfs/dbraw/zinc/10/18/92/841101892.db2.gz ZEUZVMBXPCBLOI-AGIUHOORSA-N 2 2 254.374 0.994 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@@H]1CC2(CO1)CCOCC2 ZINC000712626929 841101896 /nfs/dbraw/zinc/10/18/96/841101896.db2.gz ZEUZVMBXPCBLOI-AGIUHOORSA-N 2 2 254.374 0.994 20 0 CCADLP O=C1OCCN1CC[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000713260704 841127127 /nfs/dbraw/zinc/12/71/27/841127127.db2.gz CNSLXSOSRFEBLV-UHFFFAOYSA-N 2 2 253.346 0.657 20 0 CCADLP O=C1OCCN1CC[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713260704 841127132 /nfs/dbraw/zinc/12/71/32/841127132.db2.gz CNSLXSOSRFEBLV-UHFFFAOYSA-N 2 2 253.346 0.657 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@@H]2[C@H](CC[N@H+]2CCO)C1 ZINC001036786638 841217961 /nfs/dbraw/zinc/21/79/61/841217961.db2.gz YOPOPNQPNODPNW-ZIAGYGMSSA-N 2 2 292.383 0.188 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@@H]2[C@H](CC[N@@H+]2CCO)C1 ZINC001036786638 841217966 /nfs/dbraw/zinc/21/79/66/841217966.db2.gz YOPOPNQPNODPNW-ZIAGYGMSSA-N 2 2 292.383 0.188 20 0 CCADLP CC(C)(CNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)[NH+]1CCOCC1 ZINC000715141166 841272468 /nfs/dbraw/zinc/27/24/68/841272468.db2.gz SWRZVOKYOINIGO-UWVGGRQHSA-N 2 2 291.342 0.053 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H](O)C1 ZINC001099928280 841455614 /nfs/dbraw/zinc/45/56/14/841455614.db2.gz JPDXNMQYUKHCDA-CHWSQXEVSA-N 2 2 294.399 0.314 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H](O)C1 ZINC001099928280 841455621 /nfs/dbraw/zinc/45/56/21/841455621.db2.gz JPDXNMQYUKHCDA-CHWSQXEVSA-N 2 2 294.399 0.314 20 0 CCADLP Cc1nc(NCCNC(=O)C23CCC[NH+]2CCC3)cc[nH+]1 ZINC001094247731 841569738 /nfs/dbraw/zinc/56/97/38/841569738.db2.gz HKXUUBPFBMRCBT-UHFFFAOYSA-N 2 2 289.383 0.942 20 0 CCADLP Cc1nc(NCCCNC(=O)CC[NH+](C)C)cc[nH+]1 ZINC001094751222 841718774 /nfs/dbraw/zinc/71/87/74/841718774.db2.gz GNMUQVIDGPJQOT-UHFFFAOYSA-N 2 2 265.361 0.655 20 0 CCADLP COC(=O)[C@@H](C[NH3+])C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171623196 841742995 /nfs/dbraw/zinc/74/29/95/841742995.db2.gz OABXQACKOPLOEQ-NSHDSACASA-N 3 2 285.432 0.975 20 0 CCADLP COC(=O)[C@@H](CCCC[NH3+])[NH2+][C@H]1CCN(C2CC2)C(=O)C1 ZINC001172003859 841785292 /nfs/dbraw/zinc/78/52/92/841785292.db2.gz FBTHKMCFSQTZBZ-WCQYABFASA-N 2 2 297.399 0.400 20 0 CCADLP COCCC[NH+]1CCC(N2CC[NH+](CCC[NH3+])CC2)CC1 ZINC001172245859 841907410 /nfs/dbraw/zinc/90/74/10/841907410.db2.gz BPQGBVGZSJBBBL-UHFFFAOYSA-N 3 2 298.475 0.454 20 0 CCADLP COCCC[NH+]1CCC([N@H+]2CCc3nncn3CC2)CC1 ZINC001172251185 841912673 /nfs/dbraw/zinc/91/26/73/841912673.db2.gz CPRXJOVOOBOZPI-UHFFFAOYSA-N 2 2 293.415 0.637 20 0 CCADLP COCCC[NH+]1CCC([N@@H+]2CCc3nncn3CC2)CC1 ZINC001172251185 841912678 /nfs/dbraw/zinc/91/26/78/841912678.db2.gz CPRXJOVOOBOZPI-UHFFFAOYSA-N 2 2 293.415 0.637 20 0 CCADLP CC[C@H](C[NH2+]CCCNC(=O)Cc1[nH]c[nH+]c1C)OC ZINC001174691893 842200344 /nfs/dbraw/zinc/20/03/44/842200344.db2.gz NMEMYJZCBGTPRB-GFCCVEGCSA-N 2 2 282.388 0.782 20 0 CCADLP CC(C)(O)CC[NH+]1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001176878358 842437128 /nfs/dbraw/zinc/43/71/28/842437128.db2.gz MRXAIQMHNXHDLD-UHFFFAOYSA-N 2 2 294.399 0.578 20 0 CCADLP Cc1ccncc1C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177400618 842575142 /nfs/dbraw/zinc/57/51/42/842575142.db2.gz JEEOBLROSVFVQY-UHFFFAOYSA-N 2 2 287.367 0.883 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]Cc1cncs1 ZINC001177405560 842579012 /nfs/dbraw/zinc/57/90/12/842579012.db2.gz OWTZGMMBSXCNHE-UHFFFAOYSA-N 2 2 279.369 0.636 20 0 CCADLP Cc1cc(C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)ncn1 ZINC001177405123 842579143 /nfs/dbraw/zinc/57/91/43/842579143.db2.gz KRTHOHZJGNJISY-UHFFFAOYSA-N 2 2 288.355 0.278 20 0 CCADLP COCCCCC[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177411439 842584463 /nfs/dbraw/zinc/58/44/63/842584463.db2.gz YNSJVVYMCKFSMO-UHFFFAOYSA-N 2 2 282.388 0.796 20 0 CCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@H]21 ZINC001178117371 842760794 /nfs/dbraw/zinc/76/07/94/842760794.db2.gz VNTLQNCOARTGJU-HZSPNIEDSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@H]21 ZINC001178117371 842760801 /nfs/dbraw/zinc/76/08/01/842760801.db2.gz VNTLQNCOARTGJU-HZSPNIEDSA-N 2 2 288.395 0.998 20 0 CCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001178115676 842761367 /nfs/dbraw/zinc/76/13/67/842761367.db2.gz GLCXASZTLNCCJA-NWDGAFQWSA-N 2 2 260.341 0.362 20 0 CCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[N@H+]2CC[C@@H]2C1 ZINC001178115676 842761376 /nfs/dbraw/zinc/76/13/76/842761376.db2.gz GLCXASZTLNCCJA-NWDGAFQWSA-N 2 2 260.341 0.362 20 0 CCADLP NC(=O)C[NH2+]CCCCCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001178345798 842815828 /nfs/dbraw/zinc/81/58/28/842815828.db2.gz LZWSQBZKNGOCFH-UHFFFAOYSA-N 2 2 295.387 0.094 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC001178853384 842930720 /nfs/dbraw/zinc/93/07/20/842930720.db2.gz QSETVHMBBRZMOC-AAEUAGOBSA-N 2 2 280.372 0.568 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC001178853384 842930728 /nfs/dbraw/zinc/93/07/28/842930728.db2.gz QSETVHMBBRZMOC-AAEUAGOBSA-N 2 2 280.372 0.568 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCCCCCC[NH2+]CCO ZINC001179098020 842964295 /nfs/dbraw/zinc/96/42/95/842964295.db2.gz YUVHTGZLIQEZJJ-UHFFFAOYSA-N 2 2 296.415 0.611 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001179264279 842982402 /nfs/dbraw/zinc/98/24/02/842982402.db2.gz FKRBUCIGOGNGIG-RDBSUJKOSA-N 2 2 294.399 0.887 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2Cc3ccccc3C[C@H]2C[NH3+])C1 ZINC001180761602 843293161 /nfs/dbraw/zinc/29/31/61/843293161.db2.gz BUZYHYREVJUUOS-GJZGRUSLSA-N 2 2 289.379 0.229 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2Cc3ccccc3C[C@H]2C[NH3+])C1 ZINC001180761602 843293164 /nfs/dbraw/zinc/29/31/64/843293164.db2.gz BUZYHYREVJUUOS-GJZGRUSLSA-N 2 2 289.379 0.229 20 0 CCADLP O=C(N1CCc2[nH+]ccn2CC1)C12CC[NH+](CC1)CC2 ZINC001181546255 843518825 /nfs/dbraw/zinc/51/88/25/843518825.db2.gz JFGRPBWFYOUKGE-UHFFFAOYSA-N 2 2 274.368 0.754 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)nc2)C[C@H]1O ZINC001206463656 843610456 /nfs/dbraw/zinc/61/04/56/843610456.db2.gz AEFMNZXFLJQIKR-VHSXEESVSA-N 2 2 275.274 0.852 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)nc2)C[C@H]1O ZINC001206463656 843610470 /nfs/dbraw/zinc/61/04/70/843610470.db2.gz AEFMNZXFLJQIKR-VHSXEESVSA-N 2 2 275.274 0.852 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC001181981712 843658903 /nfs/dbraw/zinc/65/89/03/843658903.db2.gz JPLLSDDBWNWEJI-LBPRGKRZSA-N 2 2 264.373 0.809 20 0 CCADLP CC(C)[N@H+]1CC[C@H](C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC001181981712 843658911 /nfs/dbraw/zinc/65/89/11/843658911.db2.gz JPLLSDDBWNWEJI-LBPRGKRZSA-N 2 2 264.373 0.809 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)C1(C)CC[NH+](C)CC1 ZINC001181985343 843663248 /nfs/dbraw/zinc/66/32/48/843663248.db2.gz VXYLRCPRHMWREX-LBPRGKRZSA-N 2 2 297.399 0.034 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)C1(C)CC[NH+](C)CC1 ZINC001181985343 843663252 /nfs/dbraw/zinc/66/32/52/843663252.db2.gz VXYLRCPRHMWREX-LBPRGKRZSA-N 2 2 297.399 0.034 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001181995387 843666867 /nfs/dbraw/zinc/66/68/67/843666867.db2.gz COSLVBMOVNTPNY-OLZOCXBDSA-N 2 2 280.372 0.304 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001181995387 843666869 /nfs/dbraw/zinc/66/68/69/843666869.db2.gz COSLVBMOVNTPNY-OLZOCXBDSA-N 2 2 280.372 0.304 20 0 CCADLP Cn1cc[nH+]c1CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001182015426 843693655 /nfs/dbraw/zinc/69/36/55/843693655.db2.gz OLYRRZNJCSGPHX-LBPRGKRZSA-N 2 2 262.357 0.421 20 0 CCADLP CC(C)c1nnc(C[NH2+]CCNC(=O)C[NH+]2CCCC2)[nH]1 ZINC001151097656 843758997 /nfs/dbraw/zinc/75/89/97/843758997.db2.gz OARWTZZETAHPQQ-UHFFFAOYSA-N 2 2 294.403 0.230 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC001187323067 844692324 /nfs/dbraw/zinc/69/23/24/844692324.db2.gz WPWVNKZCLLYKDC-LLVKDONJSA-N 2 2 297.428 0.570 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+]([C@H](C)[C@H](C)O)CC2)c1 ZINC001190871903 845529124 /nfs/dbraw/zinc/52/91/24/845529124.db2.gz CNUKJGIBJLBFNC-NEPJUHHUSA-N 2 2 265.357 0.982 20 0 CCADLP CCOCC[N@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193706430 846148504 /nfs/dbraw/zinc/14/85/04/846148504.db2.gz XYRRVMQTWZXWBS-CYBMUJFWSA-N 2 2 294.399 0.830 20 0 CCADLP CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193706430 846148512 /nfs/dbraw/zinc/14/85/12/846148512.db2.gz XYRRVMQTWZXWBS-CYBMUJFWSA-N 2 2 294.399 0.830 20 0 CCADLP C[C@H](O)CCC[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194449847 846292179 /nfs/dbraw/zinc/29/21/79/846292179.db2.gz XOFBIXOTKBRDGC-UONOGXRCSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@H](O)CCC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194449847 846292186 /nfs/dbraw/zinc/29/21/86/846292186.db2.gz XOFBIXOTKBRDGC-UONOGXRCSA-N 2 2 294.399 0.577 20 0 CCADLP CC[C@@H](C[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)OC ZINC001194460901 846296458 /nfs/dbraw/zinc/29/64/58/846296458.db2.gz STQUHEGRDMOYSJ-KGLIPLIRSA-N 2 2 294.399 0.841 20 0 CCADLP CC[C@@H](C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)OC ZINC001194460901 846296470 /nfs/dbraw/zinc/29/64/70/846296470.db2.gz STQUHEGRDMOYSJ-KGLIPLIRSA-N 2 2 294.399 0.841 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC001195065054 846450288 /nfs/dbraw/zinc/45/02/88/846450288.db2.gz OELABBVSBPXAKI-YPMHNXCESA-N 2 2 253.346 0.663 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC001195065054 846450295 /nfs/dbraw/zinc/45/02/95/846450295.db2.gz OELABBVSBPXAKI-YPMHNXCESA-N 2 2 253.346 0.663 20 0 CCADLP CC[N@H+](C)C(C)(C)C(=O)N1CCC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001196341956 846728601 /nfs/dbraw/zinc/72/86/01/846728601.db2.gz SYNYUJZCWBAUTK-LBPRGKRZSA-N 2 2 298.431 0.125 20 0 CCADLP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001196341956 846728611 /nfs/dbraw/zinc/72/86/11/846728611.db2.gz SYNYUJZCWBAUTK-LBPRGKRZSA-N 2 2 298.431 0.125 20 0 CCADLP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC001196341956 846728621 /nfs/dbraw/zinc/72/86/21/846728621.db2.gz SYNYUJZCWBAUTK-LBPRGKRZSA-N 2 2 298.431 0.125 20 0 CCADLP CC[NH+](C)C(C)(C)C(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC001196341956 846728630 /nfs/dbraw/zinc/72/86/30/846728630.db2.gz SYNYUJZCWBAUTK-LBPRGKRZSA-N 2 2 298.431 0.125 20 0 CCADLP COc1cc[nH+]c(NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC001251003493 846778008 /nfs/dbraw/zinc/77/80/08/846778008.db2.gz LUIKKCYFOUQYFR-NSHDSACASA-N 2 2 267.329 0.195 20 0 CCADLP CC[NH+](CC)CCCNC(=S)NC1C[NH+](C)C1 ZINC001196702041 846788794 /nfs/dbraw/zinc/78/87/94/846788794.db2.gz IWFFUQXBIKBIGE-UHFFFAOYSA-N 2 2 258.435 0.496 20 0 CCADLP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001199119749 847224769 /nfs/dbraw/zinc/22/47/69/847224769.db2.gz SNVVYXBOFVEQJS-RBSFLKMASA-N 2 2 291.395 0.471 20 0 CCADLP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001199119749 847224782 /nfs/dbraw/zinc/22/47/82/847224782.db2.gz SNVVYXBOFVEQJS-RBSFLKMASA-N 2 2 291.395 0.471 20 0 CCADLP CC(C)NC(=S)NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001200788030 847692195 /nfs/dbraw/zinc/69/21/95/847692195.db2.gz IUEGGIUPAAFTMJ-UHFFFAOYSA-N 2 2 272.462 0.885 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cc3cccnc3o2)C1 ZINC001201887520 847823454 /nfs/dbraw/zinc/82/34/54/847823454.db2.gz BRHWYIAQTKSPEA-CQSZACIVSA-N 2 2 261.325 0.984 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cc3cccnc3o2)C1 ZINC001201887520 847823457 /nfs/dbraw/zinc/82/34/57/847823457.db2.gz BRHWYIAQTKSPEA-CQSZACIVSA-N 2 2 261.325 0.984 20 0 CCADLP CCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCCO1 ZINC001202216962 847870298 /nfs/dbraw/zinc/87/02/98/847870298.db2.gz LOHTWQVECPKMCN-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP CC[C@@H](C[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1)OC ZINC001202667796 848206621 /nfs/dbraw/zinc/20/66/21/848206621.db2.gz MYNHKGWAWFRSLA-AWEZNQCLSA-N 2 2 294.399 0.958 20 0 CCADLP CC[N@H+](CCO)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001154083226 848212626 /nfs/dbraw/zinc/21/26/26/848212626.db2.gz MQBXRDPTACDFKW-OLZOCXBDSA-N 2 2 294.399 0.264 20 0 CCADLP CC[N@@H+](CCO)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001154083226 848212638 /nfs/dbraw/zinc/21/26/38/848212638.db2.gz MQBXRDPTACDFKW-OLZOCXBDSA-N 2 2 294.399 0.264 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001274053197 848326794 /nfs/dbraw/zinc/32/67/94/848326794.db2.gz QYDWPURDRXIGOA-MGPQQGTHSA-N 2 2 292.383 0.329 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001274053197 848326787 /nfs/dbraw/zinc/32/67/87/848326787.db2.gz QYDWPURDRXIGOA-MGPQQGTHSA-N 2 2 292.383 0.329 20 0 CCADLP CCC1(C[NH+]2CC3(CN(CCn4cc[nH+]c4)C3)C2)COC1 ZINC001275188922 848659468 /nfs/dbraw/zinc/65/94/68/848659468.db2.gz ZIDIYLNTHKTOSQ-UHFFFAOYSA-N 2 2 290.411 0.927 20 0 CCADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cc[nH]n1 ZINC001275205040 848664942 /nfs/dbraw/zinc/66/49/42/848664942.db2.gz JMXKQRPDDZYKFU-KBPBESRZSA-N 2 2 263.389 0.620 20 0 CCADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cc[nH]n1 ZINC001275205040 848664946 /nfs/dbraw/zinc/66/49/46/848664946.db2.gz JMXKQRPDDZYKFU-KBPBESRZSA-N 2 2 263.389 0.620 20 0 CCADLP Cc1n[nH]cc1C[N@@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001276068364 848915109 /nfs/dbraw/zinc/91/51/09/848915109.db2.gz OFTXFZITRWAIMN-GASCZTMLSA-N 2 2 293.415 0.165 20 0 CCADLP Cc1n[nH]cc1C[N@H+]1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001276068364 848915118 /nfs/dbraw/zinc/91/51/18/848915118.db2.gz OFTXFZITRWAIMN-GASCZTMLSA-N 2 2 293.415 0.165 20 0 CCADLP CN(C)C(=O)C[NH+]1CC2(C1)CC[NH+](Cc1c[nH]cn1)CC2 ZINC001276203117 848960386 /nfs/dbraw/zinc/96/03/86/848960386.db2.gz LBAGRZSJXMGNQY-UHFFFAOYSA-N 2 2 291.399 0.396 20 0 CCADLP CN(C)C(=O)C[NH+]1CC2(C1)CC[NH+](Cc1cnc[nH]1)CC2 ZINC001276203117 848960390 /nfs/dbraw/zinc/96/03/90/848960390.db2.gz LBAGRZSJXMGNQY-UHFFFAOYSA-N 2 2 291.399 0.396 20 0 CCADLP COc1cnccc1C[NH+]1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001276287793 848985478 /nfs/dbraw/zinc/98/54/78/848985478.db2.gz RUQMPDBMLZWNEJ-UHFFFAOYSA-N 2 2 290.411 0.769 20 0 CCADLP CCOC(=O)CCC[C@H](C)NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001258107966 849150577 /nfs/dbraw/zinc/15/05/77/849150577.db2.gz ZJCCCVGGTODWKA-LBPRGKRZSA-N 2 2 284.404 0.880 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000720482258 849474333 /nfs/dbraw/zinc/47/43/33/849474333.db2.gz PRPKFLIKLMCZIQ-LJISPDSOSA-N 2 2 286.416 0.567 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000720482258 849474338 /nfs/dbraw/zinc/47/43/38/849474338.db2.gz PRPKFLIKLMCZIQ-LJISPDSOSA-N 2 2 286.416 0.567 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000720482258 849474341 /nfs/dbraw/zinc/47/43/41/849474341.db2.gz PRPKFLIKLMCZIQ-LJISPDSOSA-N 2 2 286.416 0.567 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000720482258 849474347 /nfs/dbraw/zinc/47/43/47/849474347.db2.gz PRPKFLIKLMCZIQ-LJISPDSOSA-N 2 2 286.416 0.567 20 0 CCADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cnc2n1CCOC2 ZINC000722821201 850159781 /nfs/dbraw/zinc/15/97/81/850159781.db2.gz QVRGTJSVCJEDGT-NSHDSACASA-N 2 2 252.362 0.843 20 0 CCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](C[C@H](C)O)C1 ZINC001042715398 850743340 /nfs/dbraw/zinc/74/33/40/850743340.db2.gz XPVWKNODTBQMNJ-JSGCOSHPSA-N 2 2 283.416 0.383 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](C[C@H](C)O)C1 ZINC001042715398 850743344 /nfs/dbraw/zinc/74/33/44/850743344.db2.gz XPVWKNODTBQMNJ-JSGCOSHPSA-N 2 2 283.416 0.383 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001043219382 850838339 /nfs/dbraw/zinc/83/83/39/850838339.db2.gz CZQAIVUQZOOLCY-ZDUSSCGKSA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)C[NH+]1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001043974530 850975602 /nfs/dbraw/zinc/97/56/02/850975602.db2.gz DWECCQQLNQYCLM-UHFFFAOYSA-N 2 2 250.346 0.751 20 0 CCADLP C[C@H](O)C[NH+]1CC(N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001044003786 850983696 /nfs/dbraw/zinc/98/36/96/850983696.db2.gz SPFLJPYYZXMYLR-KBPBESRZSA-N 2 2 297.443 0.774 20 0 CCADLP CN(C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)C1C[NH+](CCCO)C1 ZINC001044030672 850989812 /nfs/dbraw/zinc/98/98/12/850989812.db2.gz OAICDILSCZVEGW-UKRRQHHQSA-N 2 2 295.427 0.528 20 0 CCADLP CN(C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)C1C[NH+](CCCO)C1 ZINC001044030672 850989817 /nfs/dbraw/zinc/98/98/17/850989817.db2.gz OAICDILSCZVEGW-UKRRQHHQSA-N 2 2 295.427 0.528 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCO)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001044628787 851133924 /nfs/dbraw/zinc/13/39/24/851133924.db2.gz YOFCKBMLFBSKHR-VXGBXAGGSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCO)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001044628787 851133925 /nfs/dbraw/zinc/13/39/25/851133925.db2.gz YOFCKBMLFBSKHR-VXGBXAGGSA-N 2 2 280.372 0.304 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001044807014 851163588 /nfs/dbraw/zinc/16/35/88/851163588.db2.gz LQJBBDPLKHNXNA-MNOVXSKESA-N 2 2 250.346 0.941 20 0 CCADLP CC(C)[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046221150 851430533 /nfs/dbraw/zinc/43/05/33/851430533.db2.gz XLKKHCMUYXAADP-OCCSQVGLSA-N 2 2 269.389 0.306 20 0 CCADLP CC(C)[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046221150 851430536 /nfs/dbraw/zinc/43/05/36/851430536.db2.gz XLKKHCMUYXAADP-OCCSQVGLSA-N 2 2 269.389 0.306 20 0 CCADLP CC(C)[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001046221150 851430538 /nfs/dbraw/zinc/43/05/38/851430538.db2.gz XLKKHCMUYXAADP-OCCSQVGLSA-N 2 2 269.389 0.306 20 0 CCADLP CC(C)[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001046221150 851430541 /nfs/dbraw/zinc/43/05/41/851430541.db2.gz XLKKHCMUYXAADP-OCCSQVGLSA-N 2 2 269.389 0.306 20 0 CCADLP CC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001048423858 851956465 /nfs/dbraw/zinc/95/64/65/851956465.db2.gz VZEHVTANKGQFBF-MNOVXSKESA-N 2 2 250.346 0.656 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001048448762 851957439 /nfs/dbraw/zinc/95/74/39/851957439.db2.gz BRNBMYGPQAIISF-ZYHUDNBSSA-N 2 2 264.373 0.965 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC000902497681 851961984 /nfs/dbraw/zinc/96/19/84/851961984.db2.gz AXLNFOXQPJFJIX-IJLUTSLNSA-N 2 2 277.372 0.349 20 0 CCADLP COCC[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052748352 852648508 /nfs/dbraw/zinc/64/85/08/852648508.db2.gz MGYZNVBKVNRRFW-GFCCVEGCSA-N 2 2 280.372 0.569 20 0 CCADLP COCC[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052748352 852648512 /nfs/dbraw/zinc/64/85/12/852648512.db2.gz MGYZNVBKVNRRFW-GFCCVEGCSA-N 2 2 280.372 0.569 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCOC2(C[NH+](CC)C2)C1 ZINC001053280359 852722548 /nfs/dbraw/zinc/72/25/48/852722548.db2.gz CSVFMNFJPNZGQR-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)N1CCOC2(C[NH+](CC)C2)C1 ZINC001053280359 852722553 /nfs/dbraw/zinc/72/25/53/852722553.db2.gz CSVFMNFJPNZGQR-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](C1CC1)[NH+](C)C)CCO2 ZINC001053288547 852723786 /nfs/dbraw/zinc/72/37/86/852723786.db2.gz KPQWYHSZCAUSMO-CQSZACIVSA-N 2 2 295.427 0.650 20 0 CCADLP CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)O2 ZINC001053582620 852766286 /nfs/dbraw/zinc/76/62/86/852766286.db2.gz ITKCOEGVEBNONU-STQMWFEESA-N 2 2 281.400 0.450 20 0 CCADLP CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)O2 ZINC001053582620 852766292 /nfs/dbraw/zinc/76/62/92/852766292.db2.gz ITKCOEGVEBNONU-STQMWFEESA-N 2 2 281.400 0.450 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1COC2(C[NH+](C(C)C)C2)C1 ZINC001053871411 852836590 /nfs/dbraw/zinc/83/65/90/852836590.db2.gz FJBHCHJUZUPMGV-ZDUSSCGKSA-N 2 2 292.383 0.559 20 0 CCADLP COCC[NH+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001050709492 853417884 /nfs/dbraw/zinc/41/78/84/853417884.db2.gz WZBWDGKLJOCEFH-UHFFFAOYSA-N 2 2 292.383 0.523 20 0 CCADLP CC(C)[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CCO1 ZINC001051581859 853604658 /nfs/dbraw/zinc/60/46/58/853604658.db2.gz PILNHVAAYOADCC-GFCCVEGCSA-N 2 2 280.372 0.568 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCO1 ZINC001051663821 853617984 /nfs/dbraw/zinc/61/79/84/853617984.db2.gz HSOVCSPMEDPSCX-IJLUTSLNSA-N 2 2 278.356 0.350 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCO1 ZINC001051663821 853617989 /nfs/dbraw/zinc/61/79/89/853617989.db2.gz HSOVCSPMEDPSCX-IJLUTSLNSA-N 2 2 278.356 0.350 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CCO1 ZINC001051732263 853635992 /nfs/dbraw/zinc/63/59/92/853635992.db2.gz PMIDKIGEGPGOJE-GFCCVEGCSA-N 2 2 280.372 0.190 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000394603594 854232033 /nfs/dbraw/zinc/23/20/33/854232033.db2.gz QIGIUVJQGIBIKP-CVEARBPZSA-N 2 2 297.443 0.240 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000394603594 854232041 /nfs/dbraw/zinc/23/20/41/854232041.db2.gz QIGIUVJQGIBIKP-CVEARBPZSA-N 2 2 297.443 0.240 20 0 CCADLP CC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[C@@H]1C ZINC001071992362 854331139 /nfs/dbraw/zinc/33/11/39/854331139.db2.gz KRXDUXWSFZATNR-RYUDHWBXSA-N 2 2 264.373 0.952 20 0 CCADLP CC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[C@@H]1C ZINC001071992362 854331143 /nfs/dbraw/zinc/33/11/43/854331143.db2.gz KRXDUXWSFZATNR-RYUDHWBXSA-N 2 2 264.373 0.952 20 0 CCADLP CO[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001098492316 854869336 /nfs/dbraw/zinc/86/93/36/854869336.db2.gz KOFKVTMUUXNTLO-SYQHCUMBSA-N 2 2 292.383 0.640 20 0 CCADLP CO[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001098492316 854869342 /nfs/dbraw/zinc/86/93/42/854869342.db2.gz KOFKVTMUUXNTLO-SYQHCUMBSA-N 2 2 292.383 0.640 20 0 CCADLP CC[NH+](CC)CC[C@@H](C)N1CC[N@H+](CC(N)=O)C(C)(C)C1 ZINC001255964351 855099839 /nfs/dbraw/zinc/09/98/39/855099839.db2.gz RDJCRWHXLHKBQG-CQSZACIVSA-N 2 2 298.475 0.988 20 0 CCADLP CC[NH+](CC)CC[C@@H](C)N1CC[N@@H+](CC(N)=O)C(C)(C)C1 ZINC001255964351 855099846 /nfs/dbraw/zinc/09/98/46/855099846.db2.gz RDJCRWHXLHKBQG-CQSZACIVSA-N 2 2 298.475 0.988 20 0 CCADLP Cc1nc(N(C)CCNC(=O)C[N@@H+]2CC[C@H](C)C2)cc[nH+]1 ZINC001100343079 855151836 /nfs/dbraw/zinc/15/18/36/855151836.db2.gz IQNDZIQHWMMUJM-LBPRGKRZSA-N 2 2 291.399 0.679 20 0 CCADLP CO[C@H](C)C[NH2+]C1CC(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001100918441 855238243 /nfs/dbraw/zinc/23/82/43/855238243.db2.gz WAVBMGSISZQNQX-QFWMXSHPSA-N 2 2 294.399 0.780 20 0 CCADLP COCC[N@H+]1C[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001101926621 855392518 /nfs/dbraw/zinc/39/25/18/855392518.db2.gz HRDZEPZQUUQHJK-CHWSQXEVSA-N 2 2 294.399 0.673 20 0 CCADLP COCC[N@@H+]1C[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001101926621 855392527 /nfs/dbraw/zinc/39/25/27/855392527.db2.gz HRDZEPZQUUQHJK-CHWSQXEVSA-N 2 2 294.399 0.673 20 0 CCADLP Cc1nc(N2CC[C@H](N(C)C(=O)CC[NH+](C)C)C2)cc[nH+]1 ZINC001102757826 855468238 /nfs/dbraw/zinc/46/82/38/855468238.db2.gz QGPWPSXEXBXTCP-ZDUSSCGKSA-N 2 2 291.399 0.774 20 0 CCADLP CC(C)OCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC001115342408 855664111 /nfs/dbraw/zinc/66/41/11/855664111.db2.gz XDGZWDKFONGMIW-NHAGDIPZSA-N 2 2 292.383 0.355 20 0 CCADLP CC(C)OCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC001115342408 855664115 /nfs/dbraw/zinc/66/41/15/855664115.db2.gz XDGZWDKFONGMIW-NHAGDIPZSA-N 2 2 292.383 0.355 20 0 CCADLP Cc1[nH]c(CN2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c(C)[nH+]1 ZINC001119825835 856889176 /nfs/dbraw/zinc/88/91/76/856889176.db2.gz VPDGGIWMUWKNOK-GHMZBOCLSA-N 2 2 266.389 0.913 20 0 CCADLP Cc1[nH]c(CN2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c(C)[nH+]1 ZINC001119825835 856889182 /nfs/dbraw/zinc/88/91/82/856889182.db2.gz VPDGGIWMUWKNOK-GHMZBOCLSA-N 2 2 266.389 0.913 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[N@@H+]1C[C@H]1CCOC1 ZINC001392866449 912212845 /nfs/dbraw/zinc/21/28/45/912212845.db2.gz ISCUXSWQPCQTDI-CHWSQXEVSA-N 2 2 292.383 0.190 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[N@H+]1C[C@H]1CCOC1 ZINC001392866449 912212863 /nfs/dbraw/zinc/21/28/63/912212863.db2.gz ISCUXSWQPCQTDI-CHWSQXEVSA-N 2 2 292.383 0.190 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC1([NH2+]Cc2ccon2)CC1 ZINC001392956813 912287029 /nfs/dbraw/zinc/28/70/29/912287029.db2.gz KUZQRJKEUQXJHN-UHFFFAOYSA-N 2 2 289.339 0.618 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N(C)C1C[NH+](CCC[C@@H](C)O)C1 ZINC001393025818 912339939 /nfs/dbraw/zinc/33/99/39/912339939.db2.gz RWNDWQCUJUEZKX-CYBMUJFWSA-N 2 2 285.432 0.630 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N(C)C1C[NH+](CCC[C@@H](C)O)C1 ZINC001393025818 912339949 /nfs/dbraw/zinc/33/99/49/912339949.db2.gz RWNDWQCUJUEZKX-CYBMUJFWSA-N 2 2 285.432 0.630 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001393048239 912357466 /nfs/dbraw/zinc/35/74/66/912357466.db2.gz MQHWKYLAEGHEII-YPMHNXCESA-N 2 2 280.372 0.568 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC1(C)CC[NH+](C[C@@H](C)O)CC1 ZINC001393071447 912372446 /nfs/dbraw/zinc/37/24/46/912372446.db2.gz WHRJJLUBYOKODL-LLVKDONJSA-N 2 2 294.399 0.612 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001393507437 912610669 /nfs/dbraw/zinc/61/06/69/912610669.db2.gz OYOGGPUAQNGYQE-STQMWFEESA-N 2 2 271.405 0.410 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001393507437 912610680 /nfs/dbraw/zinc/61/06/80/912610680.db2.gz OYOGGPUAQNGYQE-STQMWFEESA-N 2 2 271.405 0.410 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1COCC[N@H+]1CC(C)C ZINC001393516852 912618888 /nfs/dbraw/zinc/61/88/88/912618888.db2.gz ZVGFTOXXXIAMEJ-AWEZNQCLSA-N 2 2 294.399 0.665 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1COCC[N@@H+]1CC(C)C ZINC001393516852 912618898 /nfs/dbraw/zinc/61/88/98/912618898.db2.gz ZVGFTOXXXIAMEJ-AWEZNQCLSA-N 2 2 294.399 0.665 20 0 CCADLP CC[C@H](C(=O)N(C)CCC[N@H+](C)Cc1cnon1)[NH+](C)C ZINC001393620930 912686004 /nfs/dbraw/zinc/68/60/04/912686004.db2.gz RNLMYQGDDDPBKR-CYBMUJFWSA-N 2 2 297.403 0.690 20 0 CCADLP CC[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1cnon1)[NH+](C)C ZINC001393620930 912686008 /nfs/dbraw/zinc/68/60/08/912686008.db2.gz RNLMYQGDDDPBKR-CYBMUJFWSA-N 2 2 297.403 0.690 20 0 CCADLP O=S(=O)(CC[NH+]1CCCC1)CC[NH+]1CCCC1 ZINC001324139259 912691045 /nfs/dbraw/zinc/69/10/45/912691045.db2.gz KMNCVCXGWISVNY-UHFFFAOYSA-N 2 2 260.403 0.593 20 0 CCADLP CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)Cn1cc[nH+]c1C)O2 ZINC001393674844 912709810 /nfs/dbraw/zinc/70/98/10/912709810.db2.gz XVWWIGDCTXNLJH-ZDUSSCGKSA-N 2 2 292.383 0.561 20 0 CCADLP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1nnc(C)o1 ZINC001393983611 912896118 /nfs/dbraw/zinc/89/61/18/912896118.db2.gz DLYIWKTVDZHVQV-WDEREUQCSA-N 2 2 297.403 0.703 20 0 CCADLP CC[N@@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1nnc(C)o1 ZINC001393983611 912896137 /nfs/dbraw/zinc/89/61/37/912896137.db2.gz DLYIWKTVDZHVQV-WDEREUQCSA-N 2 2 297.403 0.703 20 0 CCADLP C[C@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+]Cc1csnn1 ZINC001394530297 913240626 /nfs/dbraw/zinc/24/06/26/913240626.db2.gz WGTVJWAFJXGSJZ-LLVKDONJSA-N 2 2 299.444 0.816 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](CO)[NH2+]CC1CCC1 ZINC001394635110 913330302 /nfs/dbraw/zinc/33/03/02/913330302.db2.gz BCWLUFHFNXSKSE-BXUZGUMPSA-N 2 2 294.399 0.455 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](CO)[NH2+]CC1CCC1 ZINC001394635110 913330316 /nfs/dbraw/zinc/33/03/16/913330316.db2.gz BCWLUFHFNXSKSE-BXUZGUMPSA-N 2 2 294.399 0.455 20 0 CCADLP OCCC[NH+]1CCN(Cc2[nH+]cc3ccccn32)CC1 ZINC001207049441 891558098 /nfs/dbraw/zinc/55/80/98/891558098.db2.gz UZJCPRUFYGOSHC-UHFFFAOYSA-N 2 2 274.368 0.834 20 0 CCADLP Cc1ncc(C[N@@H+](C)CCNC(=O)CCC[NH+](C)C)o1 ZINC001480906673 891735138 /nfs/dbraw/zinc/73/51/38/891735138.db2.gz BGNQUWSLKGKMMU-UHFFFAOYSA-N 2 2 282.388 0.873 20 0 CCADLP Cc1ncc(C[N@H+](C)CCNC(=O)CCC[NH+](C)C)o1 ZINC001480906673 891735151 /nfs/dbraw/zinc/73/51/51/891735151.db2.gz BGNQUWSLKGKMMU-UHFFFAOYSA-N 2 2 282.388 0.873 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H](C[N@H+](C)CCF)C1 ZINC001418938452 891844407 /nfs/dbraw/zinc/84/44/07/891844407.db2.gz VZPGAVFUAMSSJT-GFCCVEGCSA-N 2 2 282.363 0.712 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H](C[N@@H+](C)CCF)C1 ZINC001418938452 891844411 /nfs/dbraw/zinc/84/44/11/891844411.db2.gz VZPGAVFUAMSSJT-GFCCVEGCSA-N 2 2 282.363 0.712 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N(C)CC[NH2+]Cc1ccon1 ZINC001481315017 892566540 /nfs/dbraw/zinc/56/65/40/892566540.db2.gz QIHVNYXUZBHUQK-UHFFFAOYSA-N 2 2 277.328 0.428 20 0 CCADLP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1csnn1 ZINC001481798347 893160155 /nfs/dbraw/zinc/16/01/55/893160155.db2.gz NTQUGAHKGQEURH-JQWIXIFHSA-N 2 2 297.428 0.617 20 0 CCADLP CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1csnn1 ZINC001481798347 893160158 /nfs/dbraw/zinc/16/01/58/893160158.db2.gz NTQUGAHKGQEURH-JQWIXIFHSA-N 2 2 297.428 0.617 20 0 CCADLP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cnon1 ZINC001481824724 893189188 /nfs/dbraw/zinc/18/91/88/893189188.db2.gz XDTOJWDCIAOIBE-DGCLKSJQSA-N 2 2 295.387 0.538 20 0 CCADLP CC[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1cnon1 ZINC001481824724 893189194 /nfs/dbraw/zinc/18/91/94/893189194.db2.gz XDTOJWDCIAOIBE-DGCLKSJQSA-N 2 2 295.387 0.538 20 0 CCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC[C@@H]1C[NH2+]CCO ZINC001482058809 893339579 /nfs/dbraw/zinc/33/95/79/893339579.db2.gz YBUHMZTUOOVXGX-CHWSQXEVSA-N 2 2 292.383 0.018 20 0 CCADLP CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001422860393 893986721 /nfs/dbraw/zinc/98/67/21/893986721.db2.gz IVJCXLHSXUOLMD-LBPRGKRZSA-N 2 2 298.431 0.043 20 0 CCADLP CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001422860393 893986737 /nfs/dbraw/zinc/98/67/37/893986737.db2.gz IVJCXLHSXUOLMD-LBPRGKRZSA-N 2 2 298.431 0.043 20 0 CCADLP CC(C)(C)CC[NH2+]C[C@@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001482734694 894537550 /nfs/dbraw/zinc/53/75/50/894537550.db2.gz GLEIDVZZDWEHFU-CYBMUJFWSA-N 2 2 296.415 0.845 20 0 CCADLP CC(C)(C)CC[NH2+]C[C@@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001482734694 894537564 /nfs/dbraw/zinc/53/75/64/894537564.db2.gz GLEIDVZZDWEHFU-CYBMUJFWSA-N 2 2 296.415 0.845 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H](O)C[NH2+]C(C)C)ccn12 ZINC001482728096 894548280 /nfs/dbraw/zinc/54/82/80/894548280.db2.gz DXPCIQPFSLLZPJ-ZDUSSCGKSA-N 2 2 290.367 0.731 20 0 CCADLP CCN(CC[NH2+]Cc1ncccn1)C(=O)CC[NH+](C)C ZINC001482947500 894722213 /nfs/dbraw/zinc/72/22/13/894722213.db2.gz KBNQHOZBQVVBBE-UHFFFAOYSA-N 2 2 279.388 0.366 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001483190202 895079120 /nfs/dbraw/zinc/07/91/20/895079120.db2.gz HZXKIFCWIZOTDD-VXGBXAGGSA-N 2 2 282.388 0.482 20 0 CCADLP C[C@@H](C(=O)N1CC[NH2+]C[C@@H]1C(F)F)n1cc[nH+]c1 ZINC001326421842 913946366 /nfs/dbraw/zinc/94/63/66/913946366.db2.gz XQCDNTSUEPQEOT-DTWKUNHWSA-N 2 2 258.272 0.510 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)CC[C@@H]1CCOC1 ZINC001409661693 895319098 /nfs/dbraw/zinc/31/90/98/895319098.db2.gz RRKMQAJMCKPTKR-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)CC[C@@H]1CCOC1 ZINC001409661693 895319103 /nfs/dbraw/zinc/31/91/03/895319103.db2.gz RRKMQAJMCKPTKR-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)C[C@H]1CCOC1 ZINC001409687442 895331419 /nfs/dbraw/zinc/33/14/19/895331419.db2.gz FFCYVBZEKCWBMG-CHWSQXEVSA-N 2 2 280.372 0.356 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)C[C@H]1CCOC1 ZINC001409687442 895331437 /nfs/dbraw/zinc/33/14/37/895331437.db2.gz FFCYVBZEKCWBMG-CHWSQXEVSA-N 2 2 280.372 0.356 20 0 CCADLP CC(C)[NH+]1CC(CCO)(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001409750928 895360106 /nfs/dbraw/zinc/36/01/06/895360106.db2.gz KXLMHWYNBADVNK-OKILXGFUSA-N 2 2 297.443 0.821 20 0 CCADLP CC(C)[NH+]1CC(CCO)(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001409750928 895360118 /nfs/dbraw/zinc/36/01/18/895360118.db2.gz KXLMHWYNBADVNK-OKILXGFUSA-N 2 2 297.443 0.821 20 0 CCADLP CC[C@@H](C)C[NH+]1CC(CCO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001409748720 895361842 /nfs/dbraw/zinc/36/18/42/895361842.db2.gz ADZNOQOPYOTKQE-CYBMUJFWSA-N 2 2 294.399 0.482 20 0 CCADLP C[C@H](C[N@@H+](C)CCF)NC(=O)CC[NH+]1CCOCC1 ZINC001483395129 895535104 /nfs/dbraw/zinc/53/51/04/895535104.db2.gz FTHKWMOUDXXSOL-GFCCVEGCSA-N 2 2 275.368 0.115 20 0 CCADLP C[C@H](C[N@H+](C)CCn1cccn1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001483392123 895534823 /nfs/dbraw/zinc/53/48/23/895534823.db2.gz RTHUINBJWHYZHZ-GFCCVEGCSA-N 2 2 290.371 0.285 20 0 CCADLP C[C@H](C[N@@H+](C)CCn1cccn1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001483392123 895534828 /nfs/dbraw/zinc/53/48/28/895534828.db2.gz RTHUINBJWHYZHZ-GFCCVEGCSA-N 2 2 290.371 0.285 20 0 CCADLP C[C@H](C[N@H+](C)CCF)NC(=O)CC[NH+]1CCOCC1 ZINC001483395129 895535101 /nfs/dbraw/zinc/53/51/01/895535101.db2.gz FTHKWMOUDXXSOL-GFCCVEGCSA-N 2 2 275.368 0.115 20 0 CCADLP CCOCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001484358760 896353748 /nfs/dbraw/zinc/35/37/48/896353748.db2.gz OVXZJBIZUDISMU-KBPBESRZSA-N 2 2 294.399 0.746 20 0 CCADLP COCCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001484381440 896371918 /nfs/dbraw/zinc/37/19/18/896371918.db2.gz WFPJSHATJNIRQV-QWHCGFSZSA-N 2 2 294.399 0.673 20 0 CCADLP C[C@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)Cc1cnnn1C ZINC001485343744 896969670 /nfs/dbraw/zinc/96/96/70/896969670.db2.gz AEVVXIBISJXGGY-GFCCVEGCSA-N 2 2 296.419 0.093 20 0 CCADLP C[C@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)Cc1cnnn1C ZINC001485343744 896969681 /nfs/dbraw/zinc/96/96/81/896969681.db2.gz AEVVXIBISJXGGY-GFCCVEGCSA-N 2 2 296.419 0.093 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCCCC[N@@H+]1CCO ZINC001485485153 897086859 /nfs/dbraw/zinc/08/68/59/897086859.db2.gz OMEOAHGJJPBDGB-CYBMUJFWSA-N 2 2 294.399 0.614 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCCCC[N@H+]1CCO ZINC001485485153 897086877 /nfs/dbraw/zinc/08/68/77/897086877.db2.gz OMEOAHGJJPBDGB-CYBMUJFWSA-N 2 2 294.399 0.614 20 0 CCADLP CC[NH+]1CC([C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001485533071 897112922 /nfs/dbraw/zinc/11/29/22/897112922.db2.gz NAZWETJHJVOLSY-SECBINFHSA-N 2 2 250.346 0.717 20 0 CCADLP O=C1NCCC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001328478165 915221864 /nfs/dbraw/zinc/22/18/64/915221864.db2.gz OBEJEFVZBIPWSV-CHWSQXEVSA-N 2 2 267.373 0.108 20 0 CCADLP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccon1 ZINC001272757366 897548467 /nfs/dbraw/zinc/54/84/67/897548467.db2.gz AEHHYDMVYGMADI-ZIAGYGMSSA-N 2 2 292.383 0.802 20 0 CCADLP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccon1 ZINC001272757366 897548475 /nfs/dbraw/zinc/54/84/75/897548475.db2.gz AEHHYDMVYGMADI-ZIAGYGMSSA-N 2 2 292.383 0.802 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)CC[NH2+]CCO)ccn12 ZINC001272784574 897670184 /nfs/dbraw/zinc/67/01/84/897670184.db2.gz XCPWNDGUBYVQKQ-NSHDSACASA-N 2 2 290.367 0.733 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001485829723 897738395 /nfs/dbraw/zinc/73/83/95/897738395.db2.gz YVMNJHUECMZTRJ-RISCZKNCSA-N 2 2 294.399 0.814 20 0 CCADLP CC(C)[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCCO1 ZINC001078412281 898372755 /nfs/dbraw/zinc/37/27/55/898372755.db2.gz XTNBUCZTCOSVNW-AWEZNQCLSA-N 2 2 294.399 0.958 20 0 CCADLP CC(C)[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCCO1 ZINC001078412281 898372765 /nfs/dbraw/zinc/37/27/65/898372765.db2.gz XTNBUCZTCOSVNW-AWEZNQCLSA-N 2 2 294.399 0.958 20 0 CCADLP CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001485891038 898489673 /nfs/dbraw/zinc/48/96/73/898489673.db2.gz PVCUCMJSLQZHFO-NWDGAFQWSA-N 2 2 264.373 0.902 20 0 CCADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]Cc1cccnc1 ZINC001485926050 898509135 /nfs/dbraw/zinc/50/91/35/898509135.db2.gz HWKDRUQLISFMOL-LBPRGKRZSA-N 2 2 287.367 0.984 20 0 CCADLP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]CC[C@H]1CCCO1 ZINC001485961284 898558786 /nfs/dbraw/zinc/55/87/86/898558786.db2.gz ALIIOFKCFFLBLS-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001411184841 899717615 /nfs/dbraw/zinc/71/76/15/899717615.db2.gz YRDGRTQRRZAMLC-LBPRGKRZSA-N 2 2 296.415 0.847 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001411184841 899717624 /nfs/dbraw/zinc/71/76/24/899717624.db2.gz YRDGRTQRRZAMLC-LBPRGKRZSA-N 2 2 296.415 0.847 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H](NCC2([NH3+])CCCCC2)C[NH2+]1 ZINC001246277692 899861901 /nfs/dbraw/zinc/86/19/01/899861901.db2.gz AOEIWWITSQAVDJ-SWLSCSKDSA-N 2 2 283.416 0.921 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1C[C@H]([NH2+]CCF)C1 ZINC001488831064 900399466 /nfs/dbraw/zinc/39/94/66/900399466.db2.gz INJHORUNAXTWFF-UMSPYCQHSA-N 2 2 268.336 0.796 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1C[C@H]([NH2+]CCF)C1 ZINC001488831064 900399472 /nfs/dbraw/zinc/39/94/72/900399472.db2.gz INJHORUNAXTWFF-UMSPYCQHSA-N 2 2 268.336 0.796 20 0 CCADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001412378693 901673827 /nfs/dbraw/zinc/67/38/27/901673827.db2.gz ZCUZAMHZIUIODO-YNEHKIRRSA-N 2 2 294.399 0.690 20 0 CCADLP CCCn1cc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)c(C)n1 ZINC001413115737 902720587 /nfs/dbraw/zinc/72/05/87/902720587.db2.gz CPEKTAVKKJRDJO-UHFFFAOYSA-N 2 2 293.415 0.465 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cc(F)cc(F)c2)CC1 ZINC001413119535 902722624 /nfs/dbraw/zinc/72/26/24/902722624.db2.gz VSWPFJFDQVEJIS-UHFFFAOYSA-N 2 2 283.322 0.828 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1cnsn1 ZINC001495812670 903066623 /nfs/dbraw/zinc/06/66/23/903066623.db2.gz IDTICZMJHUSFCS-SNVBAGLBSA-N 2 2 294.384 0.277 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)Cc1ccnn1C ZINC001442612161 903696754 /nfs/dbraw/zinc/69/67/54/903696754.db2.gz ACHDGUMAWMOSLI-UHFFFAOYSA-N 2 2 281.404 0.308 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NCC[NH+](C)Cc1ccnn1C ZINC001442612161 903696761 /nfs/dbraw/zinc/69/67/61/903696761.db2.gz ACHDGUMAWMOSLI-UHFFFAOYSA-N 2 2 281.404 0.308 20 0 CCADLP CC(C)[NH+](C)CC(=O)NCC[N@H+](C)Cc1ccnn1C ZINC001442612161 903696765 /nfs/dbraw/zinc/69/67/65/903696765.db2.gz ACHDGUMAWMOSLI-UHFFFAOYSA-N 2 2 281.404 0.308 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCC[N@H+](CCO)C1 ZINC001398675136 914779728 /nfs/dbraw/zinc/77/97/28/914779728.db2.gz VDVFOFWHFCJVQA-GFCCVEGCSA-N 2 2 280.372 0.081 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCC[N@@H+](CCO)C1 ZINC001398675136 914779742 /nfs/dbraw/zinc/77/97/42/914779742.db2.gz VDVFOFWHFCJVQA-GFCCVEGCSA-N 2 2 280.372 0.081 20 0 CCADLP COCCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001281687223 904331350 /nfs/dbraw/zinc/33/13/50/904331350.db2.gz WBYQVRCFTXHTLH-QWHCGFSZSA-N 2 2 294.399 0.958 20 0 CCADLP COCCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001281687223 904331363 /nfs/dbraw/zinc/33/13/63/904331363.db2.gz WBYQVRCFTXHTLH-QWHCGFSZSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001398725277 914811477 /nfs/dbraw/zinc/81/14/77/914811477.db2.gz LSJCLTDIVKOTOI-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@@H+](C)C[C@H]1CCCCO1 ZINC001377251691 904728377 /nfs/dbraw/zinc/72/83/77/904728377.db2.gz XCZLWYDSUWPNOF-CYBMUJFWSA-N 2 2 294.399 0.878 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@H+](C)C[C@H]1CCCCO1 ZINC001377251691 904728382 /nfs/dbraw/zinc/72/83/82/904728382.db2.gz XCZLWYDSUWPNOF-CYBMUJFWSA-N 2 2 294.399 0.878 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1C[C@@H]([NH2+]CCCO)C1 ZINC001316624758 904761185 /nfs/dbraw/zinc/76/11/85/904761185.db2.gz PWTPYSHOVVBSMA-RWMBFGLXSA-N 2 2 294.399 0.455 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C[C@@H]([NH2+]CCCO)C1 ZINC001316624758 904761189 /nfs/dbraw/zinc/76/11/89/904761189.db2.gz PWTPYSHOVVBSMA-RWMBFGLXSA-N 2 2 294.399 0.455 20 0 CCADLP C[C@H](O)C[NH2+]C1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001377304819 904773484 /nfs/dbraw/zinc/77/34/84/904773484.db2.gz NCVCDSURGVSNHD-NSHDSACASA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C)c1ncccn1 ZINC001377577004 905009735 /nfs/dbraw/zinc/00/97/35/905009735.db2.gz CLVRAYCJWHLXDM-CHWSQXEVSA-N 2 2 291.399 0.680 20 0 CCADLP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C)c1ncccn1 ZINC001377577004 905009758 /nfs/dbraw/zinc/00/97/58/905009758.db2.gz CLVRAYCJWHLXDM-CHWSQXEVSA-N 2 2 291.399 0.680 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](C[N@H+](C)CCO)C1 ZINC001377758028 905139613 /nfs/dbraw/zinc/13/96/13/905139613.db2.gz FQLHVUFUJDKVFK-CHWSQXEVSA-N 2 2 294.399 0.361 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](C[N@@H+](C)CCO)C1 ZINC001377758028 905139622 /nfs/dbraw/zinc/13/96/22/905139622.db2.gz FQLHVUFUJDKVFK-CHWSQXEVSA-N 2 2 294.399 0.361 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](C[N@H+](C)CCO)C1 ZINC001377758028 905139628 /nfs/dbraw/zinc/13/96/28/905139628.db2.gz FQLHVUFUJDKVFK-CHWSQXEVSA-N 2 2 294.399 0.361 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](C[N@@H+](C)CCO)C1 ZINC001377758028 905139633 /nfs/dbraw/zinc/13/96/33/905139633.db2.gz FQLHVUFUJDKVFK-CHWSQXEVSA-N 2 2 294.399 0.361 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+]CC[NH+]2CCCC2)no1 ZINC001336955161 921125258 /nfs/dbraw/zinc/12/52/58/921125258.db2.gz BNHSQFAPQIKUGQ-UHFFFAOYSA-N 2 2 266.345 0.997 20 0 CCADLP C[C@@H](O)C[NH+]1CC(NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001377903910 905231183 /nfs/dbraw/zinc/23/11/83/905231183.db2.gz XWKMBSACBHNPDA-GFCCVEGCSA-N 2 2 297.443 0.821 20 0 CCADLP C[C@@H](O)C[NH+]1CC(NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001377903910 905231198 /nfs/dbraw/zinc/23/11/98/905231198.db2.gz XWKMBSACBHNPDA-GFCCVEGCSA-N 2 2 297.443 0.821 20 0 CCADLP CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001378766194 905804574 /nfs/dbraw/zinc/80/45/74/905804574.db2.gz RUSMPMUHGOBDJQ-NWDGAFQWSA-N 2 2 280.372 0.568 20 0 CCADLP O[C@H](CN1CCn2c[nH+]cc2C1)C[NH+]1CCCC1 ZINC001333592936 906060153 /nfs/dbraw/zinc/06/01/53/906060153.db2.gz QYHGCQOCNANMQJ-ZDUSSCGKSA-N 2 2 250.346 0.155 20 0 CCADLP C[C@@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]CC[C@H]1CCOC1 ZINC001379266536 906103701 /nfs/dbraw/zinc/10/37/01/906103701.db2.gz FNVINGXDDMFSNI-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1cccnc1 ZINC001379319883 906137853 /nfs/dbraw/zinc/13/78/53/906137853.db2.gz DOVRWYLAFOPNCV-ZDUSSCGKSA-N 2 2 287.367 0.915 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC001292873647 906357533 /nfs/dbraw/zinc/35/75/33/906357533.db2.gz RNHQIZCXVOULOG-ZDUSSCGKSA-N 2 2 262.357 0.813 20 0 CCADLP CN(C[C@H](O)C[NH2+]CC1CC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001379790159 906479274 /nfs/dbraw/zinc/47/92/74/906479274.db2.gz MBGYCBDSFNJXLS-JHJVBQTASA-N 2 2 292.383 0.332 20 0 CCADLP CN(C[C@H](O)C[NH2+]CC1CC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001379790159 906479287 /nfs/dbraw/zinc/47/92/87/906479287.db2.gz MBGYCBDSFNJXLS-JHJVBQTASA-N 2 2 292.383 0.332 20 0 CCADLP CC[N@@H+]1CC[C@](O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001380564117 906823037 /nfs/dbraw/zinc/82/30/37/906823037.db2.gz BWJQUMCJVREWSF-AWEZNQCLSA-N 2 2 280.372 0.236 20 0 CCADLP CC[N@H+]1CC[C@](O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001380564117 906823047 /nfs/dbraw/zinc/82/30/47/906823047.db2.gz BWJQUMCJVREWSF-AWEZNQCLSA-N 2 2 280.372 0.236 20 0 CCADLP CCCC[NH+]1CC(O)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001380634120 906869996 /nfs/dbraw/zinc/86/99/96/906869996.db2.gz RYMAPBBMQDTCFG-UHFFFAOYSA-N 2 2 297.443 0.681 20 0 CCADLP CC(C)(NC(=O)NCC[NH+]1CCC([NH3+])CC1)C1CC1 ZINC001335647086 906970441 /nfs/dbraw/zinc/97/04/41/906970441.db2.gz RAUWZSHTWCXMMC-UHFFFAOYSA-N 2 2 268.405 0.897 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCC[N@@H+](CCCO)CC1 ZINC001380928931 906989578 /nfs/dbraw/zinc/98/95/78/906989578.db2.gz IDHYUVZCJHAFMC-CYBMUJFWSA-N 2 2 294.399 0.695 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCC[N@H+](CCCO)CC1 ZINC001380928931 906989590 /nfs/dbraw/zinc/98/95/90/906989590.db2.gz IDHYUVZCJHAFMC-CYBMUJFWSA-N 2 2 294.399 0.695 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCC[N@@H+](CCCO)CC1 ZINC001380928931 906989601 /nfs/dbraw/zinc/98/96/01/906989601.db2.gz IDHYUVZCJHAFMC-CYBMUJFWSA-N 2 2 294.399 0.695 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCC[N@H+](CCCO)CC1 ZINC001380928931 906989605 /nfs/dbraw/zinc/98/96/05/906989605.db2.gz IDHYUVZCJHAFMC-CYBMUJFWSA-N 2 2 294.399 0.695 20 0 CCADLP C[C@H](CC(=O)N[C@H]1CCC[N@H+](CCO)CC1)n1cc[nH+]c1 ZINC001380937200 906998801 /nfs/dbraw/zinc/99/88/01/906998801.db2.gz YVJHVFRUMAEAMZ-KGLIPLIRSA-N 2 2 294.399 0.797 20 0 CCADLP C[C@H](CC(=O)N[C@H]1CCC[N@@H+](CCO)CC1)n1cc[nH+]c1 ZINC001380937200 906998818 /nfs/dbraw/zinc/99/88/18/906998818.db2.gz YVJHVFRUMAEAMZ-KGLIPLIRSA-N 2 2 294.399 0.797 20 0 CCADLP CO[C@H](C)C[NH2+]CC1CC(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001381323072 907157770 /nfs/dbraw/zinc/15/77/70/907157770.db2.gz SBWYKLPYWDBPJW-LKSINWNRSA-N 2 2 294.399 0.862 20 0 CCADLP CO[C@H](C)C[NH2+]CC1CC(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001381323072 907157779 /nfs/dbraw/zinc/15/77/79/907157779.db2.gz SBWYKLPYWDBPJW-LKSINWNRSA-N 2 2 294.399 0.862 20 0 CCADLP C[C@H](CNc1cc[nH+]c(N)n1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001337919216 921303062 /nfs/dbraw/zinc/30/30/62/921303062.db2.gz XCASDRNRFHSCHB-MXWKQRLJSA-N 2 2 265.361 0.968 20 0 CCADLP C[C@H](CNc1cc[nH+]c(N)n1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001337919216 921303063 /nfs/dbraw/zinc/30/30/63/921303063.db2.gz XCASDRNRFHSCHB-MXWKQRLJSA-N 2 2 265.361 0.968 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[N@H+](C)CCCO ZINC001381541699 907281417 /nfs/dbraw/zinc/28/14/17/907281417.db2.gz OXBUSSSRYKFTBT-STQMWFEESA-N 2 2 294.399 0.264 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[N@@H+](C)CCCO ZINC001381541699 907281429 /nfs/dbraw/zinc/28/14/29/907281429.db2.gz OXBUSSSRYKFTBT-STQMWFEESA-N 2 2 294.399 0.264 20 0 CCADLP C[C@H](CNC(=O)CCc1[nH+]ccn1C)[N@H+](C)CCCO ZINC001381554026 907289624 /nfs/dbraw/zinc/28/96/24/907289624.db2.gz FFXSSMPPHQRTJD-GFCCVEGCSA-N 2 2 282.388 0.172 20 0 CCADLP C[C@H](CNC(=O)CCc1[nH+]ccn1C)[N@@H+](C)CCCO ZINC001381554026 907289635 /nfs/dbraw/zinc/28/96/35/907289635.db2.gz FFXSSMPPHQRTJD-GFCCVEGCSA-N 2 2 282.388 0.172 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)CCC[C@H](C)O ZINC001381594593 907317088 /nfs/dbraw/zinc/31/70/88/907317088.db2.gz DZNXLGWWECPXNG-NEPJUHHUSA-N 2 2 282.388 0.550 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)CCC[C@H](C)O ZINC001381594593 907317071 /nfs/dbraw/zinc/31/70/71/907317071.db2.gz DZNXLGWWECPXNG-NEPJUHHUSA-N 2 2 282.388 0.550 20 0 CCADLP CO[C@H](C)C[N@H+](C)[C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001381626840 907337867 /nfs/dbraw/zinc/33/78/67/907337867.db2.gz PMXJFPYHUOWHJC-WDEREUQCSA-N 2 2 282.388 0.732 20 0 CCADLP CO[C@H](C)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001381626840 907337887 /nfs/dbraw/zinc/33/78/87/907337887.db2.gz PMXJFPYHUOWHJC-WDEREUQCSA-N 2 2 282.388 0.732 20 0 CCADLP CC[N@H+]1CC[C@H](CNC(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC001339818897 921837725 /nfs/dbraw/zinc/83/77/25/921837725.db2.gz PWRRIGPUCLKWCJ-NWDGAFQWSA-N 2 2 250.346 0.902 20 0 CCADLP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cnsn1 ZINC001491568606 907439436 /nfs/dbraw/zinc/43/94/36/907439436.db2.gz LDINHDSHQIJILP-VIFPVBQESA-N 2 2 271.390 0.084 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccns1 ZINC001491693072 907508751 /nfs/dbraw/zinc/50/87/51/907508751.db2.gz CFHJJGCWHDGTNX-JTQLQIEISA-N 2 2 279.369 0.634 20 0 CCADLP Cc1ncc(C[NH2+][C@H](C)CCNC(=O)Cc2[nH]cc[nH+]2)o1 ZINC001492101630 907701709 /nfs/dbraw/zinc/70/17/09/907701709.db2.gz HQGDQIUVMKPQKH-SNVBAGLBSA-N 2 2 291.355 0.933 20 0 CCADLP C[NH+]1C[C@@]2(C)C[NH+](CCNC(=O)C3CC3)C[C@]2(C)C1 ZINC001307977466 908364533 /nfs/dbraw/zinc/36/45/33/908364533.db2.gz CMLSBFVNIOIUQS-GJZGRUSLSA-N 2 2 265.401 0.786 20 0 CCADLP C[NH2+]C[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001328842705 908714831 /nfs/dbraw/zinc/71/48/31/908714831.db2.gz UVHLICFSQFNZMD-VXGBXAGGSA-N 2 2 250.346 0.902 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)Cc1nncn1C ZINC001316871222 908813041 /nfs/dbraw/zinc/81/30/41/908813041.db2.gz UPSCETVSDGFUOF-UHFFFAOYSA-N 2 2 296.419 0.093 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NCCC[NH+](C)Cc1nncn1C ZINC001316871222 908813051 /nfs/dbraw/zinc/81/30/51/908813051.db2.gz UPSCETVSDGFUOF-UHFFFAOYSA-N 2 2 296.419 0.093 20 0 CCADLP CC(C)[NH+](C)CC(=O)NCCC[N@H+](C)Cc1nncn1C ZINC001316871222 908813078 /nfs/dbraw/zinc/81/30/78/908813078.db2.gz UPSCETVSDGFUOF-UHFFFAOYSA-N 2 2 296.419 0.093 20 0 CCADLP CC(C)[NH+](C)CC(=O)NCCC[N@@H+](C)Cc1nncn1C ZINC001316871222 908813089 /nfs/dbraw/zinc/81/30/89/908813089.db2.gz UPSCETVSDGFUOF-UHFFFAOYSA-N 2 2 296.419 0.093 20 0 CCADLP CC(C)[NH2+][C@H](CNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001317024998 908927988 /nfs/dbraw/zinc/92/79/88/908927988.db2.gz AFKDZHIDLMDGRH-LLVKDONJSA-N 2 2 250.346 0.845 20 0 CCADLP COCC[NH2+][C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001317118207 908993015 /nfs/dbraw/zinc/99/30/15/908993015.db2.gz PPSAJHSDFMVXSD-TXEJJXNPSA-N 2 2 266.345 0.156 20 0 CCADLP C[C@H]1CC[N@H+](CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001417653396 921499042 /nfs/dbraw/zinc/49/90/42/921499042.db2.gz SGYZDSLELCFPFD-QWHCGFSZSA-N 2 2 276.384 0.904 20 0 CCADLP C[C@H]1CC[N@@H+](CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001417653396 921499049 /nfs/dbraw/zinc/49/90/49/921499049.db2.gz SGYZDSLELCFPFD-QWHCGFSZSA-N 2 2 276.384 0.904 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]CCC(=O)NC(N)=O)C1 ZINC001338523049 921500433 /nfs/dbraw/zinc/50/04/33/921500433.db2.gz ZKRQUHAPXOONIR-SECBINFHSA-N 2 2 256.350 0.034 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]CCC(=O)NC(N)=O)C1 ZINC001338523049 921500434 /nfs/dbraw/zinc/50/04/34/921500434.db2.gz ZKRQUHAPXOONIR-SECBINFHSA-N 2 2 256.350 0.034 20 0 CCADLP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1)[NH+](CC)CC ZINC001389381469 909857908 /nfs/dbraw/zinc/85/79/08/909857908.db2.gz BLGGRHMTOQLXCQ-CHWSQXEVSA-N 2 2 298.431 0.173 20 0 CCADLP CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1)[NH+](CC)CC ZINC001389381469 909857929 /nfs/dbraw/zinc/85/79/29/909857929.db2.gz BLGGRHMTOQLXCQ-CHWSQXEVSA-N 2 2 298.431 0.173 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C[NH2+]CCF ZINC001319208691 910037033 /nfs/dbraw/zinc/03/70/33/910037033.db2.gz LVYNVSOPRWYQTH-NWDGAFQWSA-N 2 2 282.363 0.757 20 0 CCADLP C[NH+](C)CC1(C(=O)N2CC[C@H]([NH2+]Cc3cnon3)C2)CC1 ZINC001390555176 910517106 /nfs/dbraw/zinc/51/71/06/910517106.db2.gz BFQJKSHCTZLDKI-NSHDSACASA-N 2 2 293.371 0.102 20 0 CCADLP COC[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001391077437 910848837 /nfs/dbraw/zinc/84/88/37/910848837.db2.gz DKLZDKXVKNZRKA-QWHCGFSZSA-N 2 2 280.372 0.499 20 0 CCADLP COC[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001391077437 910848853 /nfs/dbraw/zinc/84/88/53/910848853.db2.gz DKLZDKXVKNZRKA-QWHCGFSZSA-N 2 2 280.372 0.499 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCC[N@@H+]1CC1CC1 ZINC001391073128 910849638 /nfs/dbraw/zinc/84/96/38/910849638.db2.gz WGVVZJLVZMGYHK-ZDUSSCGKSA-N 2 2 276.384 0.953 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCC[N@H+]1CC1CC1 ZINC001391073128 910849651 /nfs/dbraw/zinc/84/96/51/910849651.db2.gz WGVVZJLVZMGYHK-ZDUSSCGKSA-N 2 2 276.384 0.953 20 0 CCADLP COC[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001391210329 910973925 /nfs/dbraw/zinc/97/39/25/910973925.db2.gz PNLCBVDWMQULPC-CHWSQXEVSA-N 2 2 294.399 0.528 20 0 CCADLP C[NH+](C)C1(C(=O)NC/C=C/C[NH2+]Cc2cnon2)CCC1 ZINC001321090890 911080504 /nfs/dbraw/zinc/08/05/04/911080504.db2.gz GKRSHYBTONLSIA-ONEGZZNKSA-N 2 2 293.371 0.316 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1CCCO ZINC001417853334 921644000 /nfs/dbraw/zinc/64/40/00/921644000.db2.gz JJPZGJRQISYYIK-YPMHNXCESA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1CCCO ZINC001417853334 921644006 /nfs/dbraw/zinc/64/40/06/921644006.db2.gz JJPZGJRQISYYIK-YPMHNXCESA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1CCCO ZINC001417853334 921644011 /nfs/dbraw/zinc/64/40/11/921644011.db2.gz JJPZGJRQISYYIK-YPMHNXCESA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1CCCO ZINC001417853334 921644016 /nfs/dbraw/zinc/64/40/16/921644016.db2.gz JJPZGJRQISYYIK-YPMHNXCESA-N 2 2 280.372 0.304 20 0 CCADLP CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001321560238 911371646 /nfs/dbraw/zinc/37/16/46/911371646.db2.gz PFXPGWQXXLEVOS-GHMZBOCLSA-N 2 2 250.346 0.560 20 0 CCADLP CC(C)[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001321560729 911373649 /nfs/dbraw/zinc/37/36/49/911373649.db2.gz VKFQSLQJKBCSOT-VXGBXAGGSA-N 2 2 264.373 0.948 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1cncn1C ZINC001391967059 911487421 /nfs/dbraw/zinc/48/74/21/911487421.db2.gz OLHWKWPZHWNFCT-LBPRGKRZSA-N 2 2 290.371 0.159 20 0 CCADLP CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001321895249 911555966 /nfs/dbraw/zinc/55/59/66/911555966.db2.gz DVNUVWBTZFHFHQ-NWDGAFQWSA-N 2 2 264.373 0.950 20 0 CCADLP CCOCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001321895620 911557410 /nfs/dbraw/zinc/55/74/10/911557410.db2.gz HNIUDRGGRLEFFY-STQMWFEESA-N 2 2 294.399 0.576 20 0 CCADLP C[C@@H](C[NH2+]C[C@@H]1CCCOC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001392592319 911964120 /nfs/dbraw/zinc/96/41/20/911964120.db2.gz JHNOEOOMKMYQNJ-RYUDHWBXSA-N 2 2 280.372 0.473 20 0 CCADLP COC(=O)CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001339358288 921707587 /nfs/dbraw/zinc/70/75/87/921707587.db2.gz VGYFXWQVPNUVKT-UHFFFAOYSA-N 2 2 297.399 0.224 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[NH2+]Cc1ccccn1 ZINC001392613883 911989875 /nfs/dbraw/zinc/98/98/75/911989875.db2.gz MXOBLIBZQNLIEC-NSHDSACASA-N 2 2 287.367 0.950 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001399237269 915087193 /nfs/dbraw/zinc/08/71/93/915087193.db2.gz UYYDGNAOQSOLBC-VXGBXAGGSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001399237269 915087210 /nfs/dbraw/zinc/08/72/10/915087210.db2.gz UYYDGNAOQSOLBC-VXGBXAGGSA-N 2 2 280.372 0.161 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001399252242 915093616 /nfs/dbraw/zinc/09/36/16/915093616.db2.gz SMYYZAOVHDGTAP-STQMWFEESA-N 2 2 294.399 0.436 20 0 CCADLP CCOC1CC(C[N@H+](C)CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001399656165 915294099 /nfs/dbraw/zinc/29/40/99/915294099.db2.gz PROCRXGUUNEWHM-UHFFFAOYSA-N 2 2 294.399 0.746 20 0 CCADLP CCOC1CC(C[N@@H+](C)CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001399656165 915294108 /nfs/dbraw/zinc/29/41/08/915294108.db2.gz PROCRXGUUNEWHM-UHFFFAOYSA-N 2 2 294.399 0.746 20 0 CCADLP CC[C@]1(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC[NH2+]C1 ZINC001328593732 915297040 /nfs/dbraw/zinc/29/70/40/915297040.db2.gz NMDBZQAHNKSVNY-OCCSQVGLSA-N 2 2 269.389 0.213 20 0 CCADLP CC[C@]1(C(=O)NCC[N@H+]2CCO[C@H](C)C2)CC[NH2+]C1 ZINC001328593732 915297053 /nfs/dbraw/zinc/29/70/53/915297053.db2.gz NMDBZQAHNKSVNY-OCCSQVGLSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001328720886 915379642 /nfs/dbraw/zinc/37/96/42/915379642.db2.gz HINAGLAZMZQFDL-SRVKXCTJSA-N 2 2 262.357 0.641 20 0 CCADLP C[NH+](C)CC1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001328721071 915380189 /nfs/dbraw/zinc/38/01/89/915380189.db2.gz DZGDPIKXHJYWJS-GFCCVEGCSA-N 2 2 262.357 0.466 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001399908794 915436693 /nfs/dbraw/zinc/43/66/93/915436693.db2.gz USCAITJCFRUCAZ-GFCCVEGCSA-N 2 2 280.372 0.488 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001399908794 915436699 /nfs/dbraw/zinc/43/66/99/915436699.db2.gz USCAITJCFRUCAZ-GFCCVEGCSA-N 2 2 280.372 0.488 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)CCc2c[nH+]cn2C)C1 ZINC001400732720 915899546 /nfs/dbraw/zinc/89/95/46/915899546.db2.gz DIUADTLRDBOZGH-JSGCOSHPSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)CCc2c[nH+]cn2C)C1 ZINC001400732720 915899560 /nfs/dbraw/zinc/89/95/60/915899560.db2.gz DIUADTLRDBOZGH-JSGCOSHPSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1[NH2+]CCO ZINC001401291728 916162885 /nfs/dbraw/zinc/16/28/85/916162885.db2.gz BTHXOEXCQDUQOI-KBPBESRZSA-N 2 2 294.399 0.482 20 0 CCADLP C[C@H](C[NH2+]Cc1ncccn1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001401622398 916397695 /nfs/dbraw/zinc/39/76/95/916397695.db2.gz VXVCFOORWWOGBH-VXGBXAGGSA-N 2 2 277.372 0.165 20 0 CCADLP C[C@H](C[NH2+]Cc1ncccn1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001401622398 916397716 /nfs/dbraw/zinc/39/77/16/916397716.db2.gz VXVCFOORWWOGBH-VXGBXAGGSA-N 2 2 277.372 0.165 20 0 CCADLP CO[C@@H](C)C[N@H+](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001401761590 916575665 /nfs/dbraw/zinc/57/56/65/916575665.db2.gz RLISROKAQMUPDK-OLZOCXBDSA-N 2 2 282.388 0.745 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001401761590 916575674 /nfs/dbraw/zinc/57/56/74/916575674.db2.gz RLISROKAQMUPDK-OLZOCXBDSA-N 2 2 282.388 0.745 20 0 CCADLP C[C@H](O)CCC[N@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001401812524 916608228 /nfs/dbraw/zinc/60/82/28/916608228.db2.gz BOEMMVHMEXCONI-STQMWFEESA-N 2 2 282.388 0.481 20 0 CCADLP C[C@H](O)CCC[N@@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001401812524 916608235 /nfs/dbraw/zinc/60/82/35/916608235.db2.gz BOEMMVHMEXCONI-STQMWFEESA-N 2 2 282.388 0.481 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001401854840 916632936 /nfs/dbraw/zinc/63/29/36/916632936.db2.gz JMLOAVUPZTUAFA-MFKMUULPSA-N 2 2 280.372 0.472 20 0 CCADLP CC(C)[C@@H](C(=O)N(C)C1C[NH+](C[C@@H](C)O)C1)[NH+](C)C ZINC001402020996 916757852 /nfs/dbraw/zinc/75/78/52/916757852.db2.gz SSLYGASPVVJKIV-YPMHNXCESA-N 2 2 271.405 0.096 20 0 CCADLP COC[C@]1(CO)CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC001330673242 916784235 /nfs/dbraw/zinc/78/42/35/916784235.db2.gz XJZJOUNDTLDHRW-CYBMUJFWSA-N 2 2 253.346 0.293 20 0 CCADLP COC[C@]1(CO)CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC001330673242 916784250 /nfs/dbraw/zinc/78/42/50/916784250.db2.gz XJZJOUNDTLDHRW-CYBMUJFWSA-N 2 2 253.346 0.293 20 0 CCADLP [NH3+]CCOCc1cn(CCCn2cc[nH+]c2)nn1 ZINC001330787232 916864502 /nfs/dbraw/zinc/86/45/02/916864502.db2.gz OXZGCWYHIFYPTJ-UHFFFAOYSA-N 2 2 250.306 0.040 20 0 CCADLP Cc1[nH+]ccn1Cc1cn(CCn2cc[nH+]c2)nn1 ZINC001330792189 916870587 /nfs/dbraw/zinc/87/05/87/916870587.db2.gz CLAOLPSDCOZFEL-UHFFFAOYSA-N 2 2 257.301 0.728 20 0 CCADLP C[C@@H](O)CCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001402235140 916884605 /nfs/dbraw/zinc/88/46/05/916884605.db2.gz XYHNCAZWLRUFRW-CHWSQXEVSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@@H](O)CCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001402235140 916884619 /nfs/dbraw/zinc/88/46/19/916884619.db2.gz XYHNCAZWLRUFRW-CHWSQXEVSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@H](CC(=O)N[C@@H]1C[C@@H]([NH2+]C[C@H](C)O)C1)n1cc[nH+]c1 ZINC001402515060 917069469 /nfs/dbraw/zinc/06/94/69/917069469.db2.gz OPAJBURTCTZBOZ-YVECIDJPSA-N 2 2 280.372 0.452 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1COCC[N@@H+]1CC1CC1 ZINC001402533079 917081025 /nfs/dbraw/zinc/08/10/25/917081025.db2.gz ZSHDAUBPFCZUML-AWEZNQCLSA-N 2 2 292.383 0.419 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1COCC[N@H+]1CC1CC1 ZINC001402533079 917081039 /nfs/dbraw/zinc/08/10/39/917081039.db2.gz ZSHDAUBPFCZUML-AWEZNQCLSA-N 2 2 292.383 0.419 20 0 CCADLP CC[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001402610661 917125628 /nfs/dbraw/zinc/12/56/28/917125628.db2.gz WIOSLWWSWZGBNY-TZMCWYRMSA-N 2 2 294.399 0.815 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001402618990 917134232 /nfs/dbraw/zinc/13/42/32/917134232.db2.gz BHXQLQWPNAWVCJ-ZDEQEGDKSA-N 2 2 294.399 0.860 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001402618990 917134241 /nfs/dbraw/zinc/13/42/41/917134241.db2.gz BHXQLQWPNAWVCJ-ZDEQEGDKSA-N 2 2 294.399 0.860 20 0 CCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H](C[NH2+]CCCO)C1CC1 ZINC001331333965 917270051 /nfs/dbraw/zinc/27/00/51/917270051.db2.gz NMEHEKQSEUKDSQ-CYBMUJFWSA-N 2 2 280.372 0.161 20 0 CCADLP Cc1ncc(C[NH2+][C@@H](C)CCNC(=O)Cc2[nH]cc[nH+]2)o1 ZINC001402846601 917281722 /nfs/dbraw/zinc/28/17/22/917281722.db2.gz HQGDQIUVMKPQKH-JTQLQIEISA-N 2 2 291.355 0.933 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001331392145 917301180 /nfs/dbraw/zinc/30/11/80/917301180.db2.gz FKAAPNSLPHHLKD-TXEJJXNPSA-N 2 2 263.345 0.108 20 0 CCADLP CCc1cnc(C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)o1 ZINC001403045291 917442860 /nfs/dbraw/zinc/44/28/60/917442860.db2.gz LBOZPSZEZACDHH-NSHDSACASA-N 2 2 282.388 0.783 20 0 CCADLP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@@H+](C)C[C@H](C)O ZINC001403134006 917516629 /nfs/dbraw/zinc/51/66/29/917516629.db2.gz KXLPUDKIEDZKKL-MNOVXSKESA-N 2 2 290.367 0.994 20 0 CCADLP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@H+](C)C[C@H](C)O ZINC001403134006 917516635 /nfs/dbraw/zinc/51/66/35/917516635.db2.gz KXLPUDKIEDZKKL-MNOVXSKESA-N 2 2 290.367 0.994 20 0 CCADLP Cc1noc([C@@H](C)[NH2+][C@H](C)CNC(=O)C[N@H+](C)C(C)C)n1 ZINC001403169166 917553625 /nfs/dbraw/zinc/55/36/25/917553625.db2.gz PVKJAZXOUMASPC-GHMZBOCLSA-N 2 2 297.403 0.874 20 0 CCADLP Cc1noc([C@@H](C)[NH2+][C@H](C)CNC(=O)C[N@@H+](C)C(C)C)n1 ZINC001403169166 917553640 /nfs/dbraw/zinc/55/36/40/917553640.db2.gz PVKJAZXOUMASPC-GHMZBOCLSA-N 2 2 297.403 0.874 20 0 CCADLP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH2+]C1CC[NH2+]CC1 ZINC001332010793 917797957 /nfs/dbraw/zinc/79/79/57/917797957.db2.gz DKJVEQSUNUKOOJ-GFCCVEGCSA-N 3 2 264.377 0.044 20 0 CCADLP C[C@H](CC(=O)NC[C@H](CO)[NH2+]CC1CCC1)n1cc[nH+]c1 ZINC001403698551 917937603 /nfs/dbraw/zinc/93/76/03/917937603.db2.gz HQLRJIZSURQREA-TZMCWYRMSA-N 2 2 294.399 0.701 20 0 CCADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)C(N)=O ZINC001403703210 917943880 /nfs/dbraw/zinc/94/38/80/917943880.db2.gz OGHMYGLQLXRNCP-OLZOCXBDSA-N 2 2 298.431 0.171 20 0 CCADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)C(N)=O ZINC001403703210 917943897 /nfs/dbraw/zinc/94/38/97/917943897.db2.gz OGHMYGLQLXRNCP-OLZOCXBDSA-N 2 2 298.431 0.171 20 0 CCADLP CC(C)[NH+]1CCCC[C@H]1C(=O)NCC[N@H+](C)[C@H](C)C(N)=O ZINC001403703210 917943910 /nfs/dbraw/zinc/94/39/10/917943910.db2.gz OGHMYGLQLXRNCP-OLZOCXBDSA-N 2 2 298.431 0.171 20 0 CCADLP CC(C)[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+](C)[C@H](C)C(N)=O ZINC001403703210 917943926 /nfs/dbraw/zinc/94/39/26/917943926.db2.gz OGHMYGLQLXRNCP-OLZOCXBDSA-N 2 2 298.431 0.171 20 0 CCADLP C[C@@H](O)C[N@H+](CCNC(=O)CCc1c[nH+]cn1C)C1CC1 ZINC001404282658 918282582 /nfs/dbraw/zinc/28/25/82/918282582.db2.gz ISLJNYCIZNCJMQ-GFCCVEGCSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@@H](O)C[N@@H+](CCNC(=O)CCc1c[nH+]cn1C)C1CC1 ZINC001404282658 918282593 /nfs/dbraw/zinc/28/25/93/918282593.db2.gz ISLJNYCIZNCJMQ-GFCCVEGCSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@H](CC(=O)N1CCC(O)(C[NH3+])CC1)n1cc[nH+]c1 ZINC001332725607 918402627 /nfs/dbraw/zinc/40/26/27/918402627.db2.gz WUFTXWKHIGNXFP-LLVKDONJSA-N 2 2 266.345 0.146 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC1C[NH+](CCC2CC2)C1 ZINC001404840858 918490605 /nfs/dbraw/zinc/49/06/05/918490605.db2.gz FWBUNZRYAJHHCZ-UHFFFAOYSA-N 2 2 276.384 0.953 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001332976168 918575117 /nfs/dbraw/zinc/57/51/17/918575117.db2.gz NGAWNLNCIYLPPS-QCNOEVLYSA-N 2 2 260.341 0.724 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001332976168 918575131 /nfs/dbraw/zinc/57/51/31/918575131.db2.gz NGAWNLNCIYLPPS-QCNOEVLYSA-N 2 2 260.341 0.724 20 0 CCADLP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](Cc2nccn2C)C1 ZINC001405114756 918607585 /nfs/dbraw/zinc/60/75/85/918607585.db2.gz MIPGORPHYGMCJR-CYBMUJFWSA-N 2 2 293.415 0.405 20 0 CCADLP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2nccn2C)C1 ZINC001405114756 918607596 /nfs/dbraw/zinc/60/75/96/918607596.db2.gz MIPGORPHYGMCJR-CYBMUJFWSA-N 2 2 293.415 0.405 20 0 CCADLP CCn1ncnc1C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC001333134202 918677946 /nfs/dbraw/zinc/67/79/46/918677946.db2.gz RTVPYEITHKWTNZ-LBPRGKRZSA-N 2 2 266.393 0.024 20 0 CCADLP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1cnsn1 ZINC001405364885 918742874 /nfs/dbraw/zinc/74/28/74/918742874.db2.gz IFORLIOVHGBXBP-LLVKDONJSA-N 2 2 299.444 0.863 20 0 CCADLP CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+]Cc1cnsn1 ZINC001405364885 918742889 /nfs/dbraw/zinc/74/28/89/918742889.db2.gz IFORLIOVHGBXBP-LLVKDONJSA-N 2 2 299.444 0.863 20 0 CCADLP C[C@@H](O)C[NH2+]CC1(NC(=O)Cc2c[nH]c[nH+]2)CCCC1 ZINC001405397466 918755072 /nfs/dbraw/zinc/75/50/72/918755072.db2.gz INKUFEISHNKYJN-LLVKDONJSA-N 2 2 280.372 0.352 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCCC1CC[NH+](CCCO)CC1 ZINC001405555332 918801369 /nfs/dbraw/zinc/80/13/69/918801369.db2.gz MZCTZKFUJDEOFP-UHFFFAOYSA-N 2 2 294.399 0.553 20 0 CCADLP COC[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CCc1[nH+]ccn1C ZINC001405849073 918943631 /nfs/dbraw/zinc/94/36/31/918943631.db2.gz OGGIQOWWAYTWAY-QWHCGFSZSA-N 2 2 296.415 0.824 20 0 CCADLP C[C@H](C[NH2+]C[C@@H]1CCCOC1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001405873081 918953431 /nfs/dbraw/zinc/95/34/31/918953431.db2.gz LSHOYNLHEQRHAA-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP CC[N@@H+](C/C=C\Cl)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001492947904 919041732 /nfs/dbraw/zinc/04/17/32/919041732.db2.gz HAAVAVUKGHUOHE-QMAVJUDZSA-N 2 2 289.807 0.508 20 0 CCADLP CC[N@H+](C/C=C\Cl)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001492947904 919041745 /nfs/dbraw/zinc/04/17/45/919041745.db2.gz HAAVAVUKGHUOHE-QMAVJUDZSA-N 2 2 289.807 0.508 20 0 CCADLP CC[NH+](C/C=C\Cl)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001492947904 919041758 /nfs/dbraw/zinc/04/17/58/919041758.db2.gz HAAVAVUKGHUOHE-QMAVJUDZSA-N 2 2 289.807 0.508 20 0 CCADLP CC[NH+](C/C=C\Cl)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001492947904 919041774 /nfs/dbraw/zinc/04/17/74/919041774.db2.gz HAAVAVUKGHUOHE-QMAVJUDZSA-N 2 2 289.807 0.508 20 0 CCADLP CN(CC[N@H+](C)C[C@H]1CCCCO1)C(=O)Cc1[nH]cc[nH+]1 ZINC001406158994 919081856 /nfs/dbraw/zinc/08/18/56/919081856.db2.gz YJORMMJXNWLXBN-CYBMUJFWSA-N 2 2 294.399 0.912 20 0 CCADLP CN(CC[N@@H+](C)C[C@H]1CCCCO1)C(=O)Cc1[nH]cc[nH+]1 ZINC001406158994 919081868 /nfs/dbraw/zinc/08/18/68/919081868.db2.gz YJORMMJXNWLXBN-CYBMUJFWSA-N 2 2 294.399 0.912 20 0 CCADLP C[C@@H](O)C[N@H+](C)CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001406151735 919082093 /nfs/dbraw/zinc/08/20/93/919082093.db2.gz FESIAWMQXBQTHZ-LLVKDONJSA-N 2 2 282.388 0.458 20 0 CCADLP C[C@@H](O)C[N@@H+](C)CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001406151735 919082106 /nfs/dbraw/zinc/08/21/06/919082106.db2.gz FESIAWMQXBQTHZ-LLVKDONJSA-N 2 2 282.388 0.458 20 0 CCADLP Cc1nn(C)cc1C[NH2+]C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001406406684 919241154 /nfs/dbraw/zinc/24/11/54/919241154.db2.gz AVWLKQIJNVJDNK-SNVBAGLBSA-N 2 2 290.371 0.289 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C)[nH]1 ZINC001406437464 919261589 /nfs/dbraw/zinc/26/15/89/919261589.db2.gz XZCGGKRHQODCKK-MNOVXSKESA-N 2 2 296.419 0.609 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)[nH]1 ZINC001406437464 919261603 /nfs/dbraw/zinc/26/16/03/919261603.db2.gz XZCGGKRHQODCKK-MNOVXSKESA-N 2 2 296.419 0.609 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C)[nH]1 ZINC001406437453 919262522 /nfs/dbraw/zinc/26/25/22/919262522.db2.gz XZCGGKRHQODCKK-GHMZBOCLSA-N 2 2 296.419 0.609 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)[nH]1 ZINC001406437453 919262536 /nfs/dbraw/zinc/26/25/36/919262536.db2.gz XZCGGKRHQODCKK-GHMZBOCLSA-N 2 2 296.419 0.609 20 0 CCADLP [NH3+][C@@H](C[NH2+]CC(=O)NCC(F)(F)F)CC(F)F ZINC001334053786 919343475 /nfs/dbraw/zinc/34/34/75/919343475.db2.gz BHUNQKBLABMJAG-RXMQYKEDSA-N 2 2 263.210 0.237 20 0 CCADLP Cn1cc(C[NH2+]C2(CNC(=O)Cc3c[nH]c[nH+]3)CC2)cn1 ZINC001406981373 919564889 /nfs/dbraw/zinc/56/48/89/919564889.db2.gz YDHKMSZLGUJKLM-UHFFFAOYSA-N 2 2 288.355 0.124 20 0 CCADLP Cc1cc(C[NH2+][C@@H](C)CCNC(=O)Cc2[nH]cc[nH+]2)on1 ZINC001408230618 920103420 /nfs/dbraw/zinc/10/34/20/920103420.db2.gz NBPGUALGDKYZNV-JTQLQIEISA-N 2 2 291.355 0.933 20 0 CCADLP O[C@H](CCC1(O)CCC1)C[NH2+][C@@H]1Cc2c[nH+]cn2C1 ZINC001335511952 920246443 /nfs/dbraw/zinc/24/64/43/920246443.db2.gz GPMSIGSWXNOOIC-DGCLKSJQSA-N 2 2 265.357 0.454 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001335572553 920284250 /nfs/dbraw/zinc/28/42/50/920284250.db2.gz RDAJVTCOYOICQC-NSHDSACASA-N 2 2 265.361 0.752 20 0 CCADLP CCc1[nH]c(CNS(=O)(=O)CCC[NH+](C)C)c[nH+]1 ZINC001414358942 920293293 /nfs/dbraw/zinc/29/32/93/920293293.db2.gz RDEIITJWHUJHQV-UHFFFAOYSA-N 2 2 274.390 0.343 20 0 CCADLP CCc1[nH]cc(CNS(=O)(=O)CCC[NH+](C)C)[nH+]1 ZINC001414358942 920293311 /nfs/dbraw/zinc/29/33/11/920293311.db2.gz RDEIITJWHUJHQV-UHFFFAOYSA-N 2 2 274.390 0.343 20 0 CCADLP O[C@H](C[NH2+][C@@H]1C[C@H]1C(F)(F)F)C[NH+]1CCCC1 ZINC001335986691 920544953 /nfs/dbraw/zinc/54/49/53/920544953.db2.gz OQFNKKPFAKGZPK-OPRDCNLKSA-N 2 2 252.280 0.984 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)NCCOCC2CC2)CC1 ZINC001336021535 920567949 /nfs/dbraw/zinc/56/79/49/920567949.db2.gz RGUPGNMMWNKIAV-UHFFFAOYSA-N 2 2 284.404 0.135 20 0 CCADLP C[C@@H](F)CC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001415114512 920599752 /nfs/dbraw/zinc/59/97/52/920599752.db2.gz SFQVROXSJLDXIS-CHWSQXEVSA-N 2 2 287.379 0.209 20 0 CCADLP C[C@@H](F)CC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001415114512 920599763 /nfs/dbraw/zinc/59/97/63/920599763.db2.gz SFQVROXSJLDXIS-CHWSQXEVSA-N 2 2 287.379 0.209 20 0 CCADLP COC[C@@H](O)C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001336733394 920966384 /nfs/dbraw/zinc/96/63/84/920966384.db2.gz PDVQOBXMIIKQLR-NWDGAFQWSA-N 2 2 255.362 0.895 20 0 CCADLP CC[C@H](CO)Nc1cc(N2CC([NH+](C)C)C2)nc[nH+]1 ZINC001336735380 920966430 /nfs/dbraw/zinc/96/64/30/920966430.db2.gz NNGQZIBIEFTQDJ-SNVBAGLBSA-N 2 2 265.361 0.410 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)CC1(C)C)n1cc[nH+]c1 ZINC001336738193 920968662 /nfs/dbraw/zinc/96/86/62/920968662.db2.gz VIPUXFNYXZJPQK-LLVKDONJSA-N 2 2 250.346 0.997 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)CC1(C)C)n1cc[nH+]c1 ZINC001336738193 920968675 /nfs/dbraw/zinc/96/86/75/920968675.db2.gz VIPUXFNYXZJPQK-LLVKDONJSA-N 2 2 250.346 0.997 20 0 CCADLP CC(C)OCC[C@H](O)C[NH2+][C@H]1Cc2c[nH+]cn2C1 ZINC001336829319 921044492 /nfs/dbraw/zinc/04/44/92/921044492.db2.gz MTXBLJPVZWJZJN-AAEUAGOBSA-N 2 2 253.346 0.573 20 0 CCADLP CC[C@@H](C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1)OC ZINC001418078830 921811298 /nfs/dbraw/zinc/81/12/98/921811298.db2.gz VSKFLMXSVXHZBG-AVGNSLFASA-N 2 2 280.372 0.545 20 0 CCADLP CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC001339818897 921837713 /nfs/dbraw/zinc/83/77/13/921837713.db2.gz PWRRIGPUCLKWCJ-NWDGAFQWSA-N 2 2 250.346 0.902 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H](C)C[NH2+]1 ZINC001340129161 921969837 /nfs/dbraw/zinc/96/98/37/921969837.db2.gz RYIORWWLXBSASP-WOPDTQHZSA-N 2 2 262.357 0.654 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001418281879 921989892 /nfs/dbraw/zinc/98/98/92/921989892.db2.gz GBEPKWKMUBLSJY-YPMHNXCESA-N 2 2 294.399 0.862 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC001340310664 922049607 /nfs/dbraw/zinc/04/96/07/922049607.db2.gz BDQQSUXDLDNLMT-CKYFFXLPSA-N 2 2 262.357 0.780 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[C@H]([NH3+])C(F)F)[C@@H]1CC[NH3+] ZINC001340561526 922122941 /nfs/dbraw/zinc/12/29/41/922122941.db2.gz XHHKWKIIBJEKTA-KXUCPTDWSA-N 2 2 263.332 0.945 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001341018524 922315225 /nfs/dbraw/zinc/31/52/25/922315225.db2.gz BKOAWXCFFNTBFG-YNEHKIRRSA-N 2 2 262.357 0.872 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC2)C1 ZINC001418664528 922345167 /nfs/dbraw/zinc/34/51/67/922345167.db2.gz YOIZWRZYJUSBBX-BETUJISGSA-N 2 2 276.384 0.857 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001418702417 922372186 /nfs/dbraw/zinc/37/21/86/922372186.db2.gz WZUFXQGTJSQNLJ-RAIGVLPGSA-N 2 2 294.399 0.780 20 0 CCADLP CCC[N@H+](CCNC(=O)Cc1c[nH+]cn1C)C[C@@H](C)O ZINC001418730560 922392492 /nfs/dbraw/zinc/39/24/92/922392492.db2.gz ZYXXHOCQJDUJDC-GFCCVEGCSA-N 2 2 282.388 0.172 20 0 CCADLP CCC[N@@H+](CCNC(=O)Cc1c[nH+]cn1C)C[C@@H](C)O ZINC001418730560 922392505 /nfs/dbraw/zinc/39/25/05/922392505.db2.gz ZYXXHOCQJDUJDC-GFCCVEGCSA-N 2 2 282.388 0.172 20 0 CCADLP C[C@@H](CC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)n1cc[nH+]c1 ZINC001341272199 922404808 /nfs/dbraw/zinc/40/48/08/922404808.db2.gz OQQKSROAPBYQJE-RWMBFGLXSA-N 2 2 262.357 0.902 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@@H](C[N@H+](C)CCO)C1 ZINC001418937341 922495976 /nfs/dbraw/zinc/49/59/76/922495976.db2.gz UBNRUIZCLNNEKJ-ZDUSSCGKSA-N 2 2 294.399 0.125 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@@H](C[N@@H+](C)CCO)C1 ZINC001418937341 922495979 /nfs/dbraw/zinc/49/59/79/922495979.db2.gz UBNRUIZCLNNEKJ-ZDUSSCGKSA-N 2 2 294.399 0.125 20 0 CCADLP CC(C)C[C@H](C)C[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001418965204 922522586 /nfs/dbraw/zinc/52/25/86/922522586.db2.gz HFQMSRQZNUEFBS-ZFWWWQNUSA-N 2 2 297.443 0.800 20 0 CCADLP CC(C)C[C@H](C)C[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001418965204 922522597 /nfs/dbraw/zinc/52/25/97/922522597.db2.gz HFQMSRQZNUEFBS-ZFWWWQNUSA-N 2 2 297.443 0.800 20 0 CCADLP CC[C@@H](C(=O)NC1CN(Cc2c[nH+]cn2C)C1)[NH+](C)C ZINC001418985507 922542998 /nfs/dbraw/zinc/54/29/98/922542998.db2.gz RNKFRVJUZQMHHV-ZDUSSCGKSA-N 2 2 279.388 0.061 20 0 CCADLP O=C(NCCCNc1cccc[nH+]1)C12CC(C1)C[NH2+]2 ZINC001341555026 922551965 /nfs/dbraw/zinc/55/19/65/922551965.db2.gz HTDBFCUMZRKPAU-UHFFFAOYSA-N 2 2 260.341 0.752 20 0 CCADLP [NH3+]C[C@@H]1C[C@@H]1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC001341748619 922655768 /nfs/dbraw/zinc/65/57/68/922655768.db2.gz NXZKSSMIIFIQNS-SRVKXCTJSA-N 2 2 260.341 0.371 20 0 CCADLP CC[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]C[C@@H]1CCOC1 ZINC001419263069 922739688 /nfs/dbraw/zinc/73/96/88/922739688.db2.gz NUXVVGKITNAZBP-STQMWFEESA-N 2 2 294.399 0.484 20 0 CCADLP CC[C@@H](C[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1)OC ZINC001419366324 922786136 /nfs/dbraw/zinc/78/61/36/922786136.db2.gz ZIRGKIHERYCJBE-KBPBESRZSA-N 2 2 294.399 0.958 20 0 CCADLP CC[C@@H](C[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1)OC ZINC001419366324 922786153 /nfs/dbraw/zinc/78/61/53/922786153.db2.gz ZIRGKIHERYCJBE-KBPBESRZSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C[C@@H]([NH3+])C1CC1 ZINC001342196705 922857341 /nfs/dbraw/zinc/85/73/41/922857341.db2.gz VPOLCVSVYISLAG-DGCLKSJQSA-N 2 2 269.389 0.293 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001419517222 922892948 /nfs/dbraw/zinc/89/29/48/922892948.db2.gz ZLLYMLFZJFVQIV-TZDVWIQBSA-N 2 2 282.775 0.952 20 0 CCADLP C[C@H](O)C[N@H+](C)CCN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001419979749 923210042 /nfs/dbraw/zinc/21/00/42/923210042.db2.gz XIXHNBYKPZOUQD-NSHDSACASA-N 2 2 298.387 0.121 20 0 CCADLP C[C@H](O)C[N@@H+](C)CCN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001419979749 923210056 /nfs/dbraw/zinc/21/00/56/923210056.db2.gz XIXHNBYKPZOUQD-NSHDSACASA-N 2 2 298.387 0.121 20 0 CCADLP [NH3+]C1CC2(C1)CC(NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001343518171 923360858 /nfs/dbraw/zinc/36/08/58/923360858.db2.gz FZECRMKSGCHCME-GLVIPLPLSA-N 2 2 260.341 0.899 20 0 CCADLP [NH3+]C1CC2(C1)CC(NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001343518171 923360871 /nfs/dbraw/zinc/36/08/71/923360871.db2.gz FZECRMKSGCHCME-GLVIPLPLSA-N 2 2 260.341 0.899 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC001343737783 923453244 /nfs/dbraw/zinc/45/32/44/923453244.db2.gz ZJPCSTXKIXJMMG-NWDGAFQWSA-N 2 2 257.378 0.164 20 0 CCADLP C[C@H](C[NH2+]Cc1cnon1)NC(=O)C1([NH+](C)C)CCC1 ZINC001420297409 923515560 /nfs/dbraw/zinc/51/55/60/923515560.db2.gz BPIUREQPGPBDTP-SNVBAGLBSA-N 2 2 281.360 0.148 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC001344624076 923655524 /nfs/dbraw/zinc/65/55/24/923655524.db2.gz NVPIUYGUBZTMSL-MXWKQRLJSA-N 2 2 250.346 0.560 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC001344624076 923655534 /nfs/dbraw/zinc/65/55/34/923655534.db2.gz NVPIUYGUBZTMSL-MXWKQRLJSA-N 2 2 250.346 0.560 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1CCn2cc[nH+]c2C1)Cn1cccn1 ZINC001345635320 923937231 /nfs/dbraw/zinc/93/72/31/923937231.db2.gz MJFQXDHYWCRGSQ-NEPJUHHUSA-N 2 2 261.329 0.045 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+]Cc2cccnc2)CC1 ZINC001420994083 924079476 /nfs/dbraw/zinc/07/94/76/924079476.db2.gz XYPZYXRIGUEDDV-UHFFFAOYSA-N 2 2 285.351 0.786 20 0 CCADLP CC[NH+](CC)CCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001346152076 924090264 /nfs/dbraw/zinc/09/02/64/924090264.db2.gz XKPLUTYCEQZBTA-UHFFFAOYSA-N 3 2 299.463 0.441 20 0 CCADLP C[C@@H](O)C[NH+]1CCC(C)(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001421157663 924182139 /nfs/dbraw/zinc/18/21/39/924182139.db2.gz ZQUBFVMBNFNQTF-GFCCVEGCSA-N 2 2 294.399 0.314 20 0 CCADLP Cn1cc[nH+]c1CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001348266902 924632755 /nfs/dbraw/zinc/63/27/55/924632755.db2.gz RHUMQNYZGMWBKJ-LLVKDONJSA-N 2 2 250.346 0.421 20 0 CCADLP Cn1cc[nH+]c1CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001348266902 924632758 /nfs/dbraw/zinc/63/27/58/924632758.db2.gz RHUMQNYZGMWBKJ-LLVKDONJSA-N 2 2 250.346 0.421 20 0 CCADLP Cn1cc[nH+]c1CCNC(=O)C[N@H+](C)C1CCC1 ZINC001349299022 924924963 /nfs/dbraw/zinc/92/49/63/924924963.db2.gz OTXOSOVNAWXDDN-UHFFFAOYSA-N 2 2 250.346 0.563 20 0 CCADLP Cn1cc[nH+]c1CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001349299022 924924971 /nfs/dbraw/zinc/92/49/71/924924971.db2.gz OTXOSOVNAWXDDN-UHFFFAOYSA-N 2 2 250.346 0.563 20 0 CCADLP CC1([NH3+])CC[NH+](C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC001349388813 924945367 /nfs/dbraw/zinc/94/53/67/924945367.db2.gz DWXRYTCTHQNEMC-LLVKDONJSA-N 2 2 260.403 0.624 20 0 CCADLP O=C1CC[C@H]([NH2+]CCCCn2cc[nH+]c2)CCN1 ZINC001349585982 924995345 /nfs/dbraw/zinc/99/53/45/924995345.db2.gz AGXWARMEKCWOAH-LBPRGKRZSA-N 2 2 250.346 0.922 20 0 CCADLP OC1CC[NH+](Cc2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC001352141088 925530289 /nfs/dbraw/zinc/53/02/89/925530289.db2.gz GWDYGXNWMBJICO-LBPRGKRZSA-N 2 2 265.361 0.159 20 0 CCADLP [NH3+][C@H]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001352864138 925660678 /nfs/dbraw/zinc/66/06/78/925660678.db2.gz UBZYZDFWFGQJJT-SRVKXCTJSA-N 2 2 262.357 0.832 20 0 CCADLP CN1C[C@H](C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)OC1=O ZINC001352926592 925675320 /nfs/dbraw/zinc/67/53/20/925675320.db2.gz XRAYMLMVORVBMU-TUAOUCFPSA-N 2 2 253.346 0.463 20 0 CCADLP CN1C[C@H](C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)OC1=O ZINC001352926592 925675323 /nfs/dbraw/zinc/67/53/23/925675323.db2.gz XRAYMLMVORVBMU-TUAOUCFPSA-N 2 2 253.346 0.463 20 0 CCADLP CN1C[C@H](C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)OC1=O ZINC001352926592 925675327 /nfs/dbraw/zinc/67/53/27/925675327.db2.gz XRAYMLMVORVBMU-TUAOUCFPSA-N 2 2 253.346 0.463 20 0 CCADLP CN1C[C@H](C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)OC1=O ZINC001352926592 925675334 /nfs/dbraw/zinc/67/53/34/925675334.db2.gz XRAYMLMVORVBMU-TUAOUCFPSA-N 2 2 253.346 0.463 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)CCCCC[NH3+] ZINC001354854954 926175055 /nfs/dbraw/zinc/17/50/55/926175055.db2.gz WAZIXAOEVVUKFJ-ZDUSSCGKSA-N 2 2 271.405 0.733 20 0 CCADLP CCSCCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001357372857 926518824 /nfs/dbraw/zinc/51/88/24/926518824.db2.gz GJBHSPNCWQXUPC-UHFFFAOYSA-N 2 2 288.461 0.852 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001357472161 926542684 /nfs/dbraw/zinc/54/26/84/926542684.db2.gz MSYFAMZVPMEYHO-QXEWZRGKSA-N 2 2 254.309 0.405 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001357472161 926542689 /nfs/dbraw/zinc/54/26/89/926542689.db2.gz MSYFAMZVPMEYHO-QXEWZRGKSA-N 2 2 254.309 0.405 20 0 CCADLP [NH3+][C@H](CC(=O)N[C@H]1C[NH2+]CCC1(F)F)C(F)F ZINC001357475230 926544122 /nfs/dbraw/zinc/54/41/22/926544122.db2.gz VMBIWHZXAFRZPO-RITPCOANSA-N 2 2 257.231 0.082 20 0 CCADLP CCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](CCOC)C1 ZINC001421355527 926697283 /nfs/dbraw/zinc/69/72/83/926697283.db2.gz BLNYRFXLBYWRTP-CYBMUJFWSA-N 2 2 280.372 0.452 20 0 CCADLP CCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](CCOC)C1 ZINC001421355527 926697289 /nfs/dbraw/zinc/69/72/89/926697289.db2.gz BLNYRFXLBYWRTP-CYBMUJFWSA-N 2 2 280.372 0.452 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCC(O)(c2ccnn2C)CC1 ZINC001414037274 926882713 /nfs/dbraw/zinc/88/27/13/926882713.db2.gz NSPVIRQYYOCXSG-UHFFFAOYSA-N 2 2 289.383 0.680 20 0 CCADLP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC001474536954 926896419 /nfs/dbraw/zinc/89/64/19/926896419.db2.gz AJCZBTQKDRZGBS-RDBSUJKOSA-N 2 2 256.390 0.848 20 0 CCADLP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC001474536954 926896434 /nfs/dbraw/zinc/89/64/34/926896434.db2.gz AJCZBTQKDRZGBS-RDBSUJKOSA-N 2 2 256.390 0.848 20 0 CCADLP CC(C)[NH+]1CC2(C1)CN(C(=O)CCC[NH+](C)C)CCO2 ZINC001421905195 926984585 /nfs/dbraw/zinc/98/45/85/926984585.db2.gz NDWJLHLKSHYXGY-UHFFFAOYSA-N 2 2 283.416 0.650 20 0 CCADLP CCc1noc(C[NH2+]C[C@@H](C)NC(=O)C[NH+]2CCCC2)n1 ZINC001422613032 927410905 /nfs/dbraw/zinc/41/09/05/927410905.db2.gz DZDMSAIPCQNJLV-LLVKDONJSA-N 2 2 295.387 0.322 20 0 CCADLP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ncc(C)o1)[NH+](C)C ZINC001422694046 927456237 /nfs/dbraw/zinc/45/62/37/927456237.db2.gz BBHAPQBGHTXWHT-JQWIXIFHSA-N 2 2 282.388 0.918 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001362070411 927584463 /nfs/dbraw/zinc/58/44/63/927584463.db2.gz SFOYAKPSZYIEQD-GJZGRUSLSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[N@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001362070411 927584472 /nfs/dbraw/zinc/58/44/72/927584472.db2.gz SFOYAKPSZYIEQD-GJZGRUSLSA-N 2 2 297.443 0.944 20 0 CCADLP COC[C@H](C)[NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001423021274 927629163 /nfs/dbraw/zinc/62/91/63/927629163.db2.gz FKWSVAULGKFFDQ-CMPLNLGQSA-N 2 2 280.372 0.472 20 0 CCADLP Cc1cnc([C@@H](C)[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C)o1 ZINC001423255016 927767294 /nfs/dbraw/zinc/76/72/94/927767294.db2.gz BTBJLKXMGWPWRK-NEPJUHHUSA-N 2 2 298.387 0.062 20 0 CCADLP C[C@H](O)C[NH2+]C1CC(N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001423684343 927957302 /nfs/dbraw/zinc/95/73/02/927957302.db2.gz QXQQYEBEPNJJRT-HIFPTAJRSA-N 2 2 280.372 0.233 20 0 CCADLP CO[C@H](C)C[N@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001424336620 928163486 /nfs/dbraw/zinc/16/34/86/928163486.db2.gz AMERMCPPPMLMOG-CYBMUJFWSA-N 2 2 282.388 0.698 20 0 CCADLP CO[C@H](C)C[N@@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001424336620 928163491 /nfs/dbraw/zinc/16/34/91/928163491.db2.gz AMERMCPPPMLMOG-CYBMUJFWSA-N 2 2 282.388 0.698 20 0 CCADLP C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1[NH2+]CCO ZINC001424490346 928199841 /nfs/dbraw/zinc/19/98/41/928199841.db2.gz RRHVKCUUENADAJ-QWHCGFSZSA-N 2 2 280.372 0.092 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001425502478 928567940 /nfs/dbraw/zinc/56/79/40/928567940.db2.gz FFFMPVFJBQTTOH-YPMHNXCESA-N 2 2 294.399 0.814 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001425510368 928571678 /nfs/dbraw/zinc/57/16/78/928571678.db2.gz OVJYLEUBNUBYAT-WCQYABFASA-N 2 2 280.372 0.091 20 0 CCADLP Cc1oncc1C[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001425642068 928614031 /nfs/dbraw/zinc/61/40/31/928614031.db2.gz SOOJISCZJBRNMC-JTQLQIEISA-N 2 2 291.355 0.885 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H](CO)[NH2+]CC1CCC1 ZINC001425751185 928657547 /nfs/dbraw/zinc/65/75/47/928657547.db2.gz AVDCQRCOTSWCGP-CYBMUJFWSA-N 2 2 280.372 0.209 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H](CO)[NH2+]CC1CCC1 ZINC001425751185 928657551 /nfs/dbraw/zinc/65/75/51/928657551.db2.gz AVDCQRCOTSWCGP-CYBMUJFWSA-N 2 2 280.372 0.209 20 0 CCADLP C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC001362991585 928735041 /nfs/dbraw/zinc/73/50/41/928735041.db2.gz STXHWXCRGCJGRJ-NWDGAFQWSA-N 2 2 276.384 0.902 20 0 CCADLP C[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC001362991585 928735045 /nfs/dbraw/zinc/73/50/45/928735045.db2.gz STXHWXCRGCJGRJ-NWDGAFQWSA-N 2 2 276.384 0.902 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C(C)(C)C ZINC001426138639 928773121 /nfs/dbraw/zinc/77/31/21/928773121.db2.gz QAYNNLVOLSKFLO-JQWIXIFHSA-N 2 2 282.388 0.454 20 0 CCADLP CNC(=O)N[C@@H]1CCC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC001363326544 929116725 /nfs/dbraw/zinc/11/67/25/929116725.db2.gz JQQGCUVIXYUICV-GFCCVEGCSA-N 2 2 279.388 0.746 20 0 CCADLP CNC(=O)N[C@@H]1CCC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC001363326544 929116730 /nfs/dbraw/zinc/11/67/30/929116730.db2.gz JQQGCUVIXYUICV-GFCCVEGCSA-N 2 2 279.388 0.746 20 0 CCADLP Cc1n[nH]cc1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC001363358885 929145732 /nfs/dbraw/zinc/14/57/32/929145732.db2.gz QRGIXHWLTJNVJI-HNNXBMFYSA-N 2 2 293.415 0.214 20 0 CCADLP C[C@@H](CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO)n1cc[nH+]c1 ZINC001363371495 929158371 /nfs/dbraw/zinc/15/83/71/929158371.db2.gz MUEGADIWLFCQHT-MELADBBJSA-N 2 2 292.383 0.502 20 0 CCADLP C[C@@H](CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO)n1cc[nH+]c1 ZINC001363371495 929158376 /nfs/dbraw/zinc/15/83/76/929158376.db2.gz MUEGADIWLFCQHT-MELADBBJSA-N 2 2 292.383 0.502 20 0 CCADLP C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CCO ZINC001371828447 929641653 /nfs/dbraw/zinc/64/16/53/929641653.db2.gz NYSZXJAPPOXWJL-IJLUTSLNSA-N 2 2 280.372 0.000 20 0 CCADLP C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]C[C@H]1CCOC1 ZINC001371865227 929647826 /nfs/dbraw/zinc/64/78/26/929647826.db2.gz ZCNGEJOGNZDRSP-NWDGAFQWSA-N 2 2 280.372 0.473 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC1C[NH+](C[C@@H]2CCOC2)C1 ZINC001443619578 929663934 /nfs/dbraw/zinc/66/39/34/929663934.db2.gz MYKJHWHZJHJTKW-ZDUSSCGKSA-N 2 2 292.383 0.358 20 0 CCADLP CCN(C(=O)Cc1[nH]c[nH+]c1C)[C@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001443883312 929729863 /nfs/dbraw/zinc/72/98/63/929729863.db2.gz XADVODKRAGVJCP-YPMHNXCESA-N 2 2 294.399 0.564 20 0 CCADLP CCN(C(=O)Cc1[nH]c[nH+]c1C)[C@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001443883312 929729873 /nfs/dbraw/zinc/72/98/73/929729873.db2.gz XADVODKRAGVJCP-YPMHNXCESA-N 2 2 294.399 0.564 20 0 CCADLP CC[C@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]C[C@@H](C)O ZINC001443969471 929756260 /nfs/dbraw/zinc/75/62/60/929756260.db2.gz SKZTVNCSWOYDGT-VXGBXAGGSA-N 2 2 290.367 0.813 20 0 CCADLP CC[C@H](C[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH+]cn1C)OC ZINC001444718365 929940828 /nfs/dbraw/zinc/94/08/28/929940828.db2.gz WJVLQZIUPYNAHM-TZMCWYRMSA-N 2 2 296.415 0.824 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H](C)N(C)C(=O)CCCn1cc[nH+]c1 ZINC001444732546 929943008 /nfs/dbraw/zinc/94/30/08/929943008.db2.gz UZWRCVFGWZIFPR-QWHCGFSZSA-N 2 2 282.388 0.481 20 0 CCADLP CC[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)c1nnc(C)o1)[NH+](C)C ZINC001372965828 930032168 /nfs/dbraw/zinc/03/21/68/930032168.db2.gz FHPMPVNDUSUFMO-JQWIXIFHSA-N 2 2 297.403 0.827 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC001445205615 930065665 /nfs/dbraw/zinc/06/56/65/930065665.db2.gz KZIBINKLIOXXIN-ZDUSSCGKSA-N 2 2 282.413 0.814 20 0 CCADLP C[C@H](O)C[N@H+](C)C[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001445763344 930242837 /nfs/dbraw/zinc/24/28/37/930242837.db2.gz IQXFIIUZCIEJEP-RYUDHWBXSA-N 2 2 282.388 0.170 20 0 CCADLP C[C@H](O)C[N@@H+](C)C[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001445763344 930242847 /nfs/dbraw/zinc/24/28/47/930242847.db2.gz IQXFIIUZCIEJEP-RYUDHWBXSA-N 2 2 282.388 0.170 20 0 CCADLP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC(=O)NC)C1)[NH+](CC)CC ZINC001373602415 930263469 /nfs/dbraw/zinc/26/34/69/930263469.db2.gz CIYSNVFNBSAGRK-STQMWFEESA-N 2 2 298.431 0.043 20 0 CCADLP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)NC)C1)[NH+](CC)CC ZINC001373602415 930263473 /nfs/dbraw/zinc/26/34/73/930263473.db2.gz CIYSNVFNBSAGRK-STQMWFEESA-N 2 2 298.431 0.043 20 0 CCADLP O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CC[NH+](CCCO)CC1 ZINC001374103935 930424029 /nfs/dbraw/zinc/42/40/29/930424029.db2.gz MBDOLDRPAQLTFM-GJZGRUSLSA-N 2 2 295.427 0.530 20 0 CCADLP O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N1CC[NH+](CCCO)CC1 ZINC001374103935 930424038 /nfs/dbraw/zinc/42/40/38/930424038.db2.gz MBDOLDRPAQLTFM-GJZGRUSLSA-N 2 2 295.427 0.530 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1C[N@H+](CC2CC2)CCO1 ZINC001374155174 930437942 /nfs/dbraw/zinc/43/79/42/930437942.db2.gz YOXSIRKORVVMTH-AWEZNQCLSA-N 2 2 292.383 0.190 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1C[N@@H+](CC2CC2)CCO1 ZINC001374155174 930437949 /nfs/dbraw/zinc/43/79/49/930437949.db2.gz YOXSIRKORVVMTH-AWEZNQCLSA-N 2 2 292.383 0.190 20 0 CCADLP CN(CC[N@H+](C)CCCO)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001374507327 930537674 /nfs/dbraw/zinc/53/76/74/930537674.db2.gz AVWGCWBQWKXLRP-ZDUSSCGKSA-N 2 2 294.399 0.218 20 0 CCADLP CN(CC[N@@H+](C)CCCO)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001374507327 930537683 /nfs/dbraw/zinc/53/76/83/930537683.db2.gz AVWGCWBQWKXLRP-ZDUSSCGKSA-N 2 2 294.399 0.218 20 0 CCADLP O=C(C[NH+]1CCCC1)NCC1([NH2+]Cc2cnon2)CCC1 ZINC001447271923 930596756 /nfs/dbraw/zinc/59/67/56/930596756.db2.gz VVISVQHNDXWXGQ-UHFFFAOYSA-N 2 2 293.371 0.294 20 0 CCADLP Cc1cc(C)c(C(=O)NC[C@H](O)C[NH2+]C[C@@H](C)O)c(C)[nH+]1 ZINC001374632918 930601057 /nfs/dbraw/zinc/60/10/57/930601057.db2.gz VOZBTRMKUFJVLD-DGCLKSJQSA-N 2 2 295.383 0.068 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001448187209 930847595 /nfs/dbraw/zinc/84/75/95/930847595.db2.gz KNLZBHKZBWUFEZ-AWEZNQCLSA-N 2 2 297.443 0.822 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001448187209 930847601 /nfs/dbraw/zinc/84/76/01/930847601.db2.gz KNLZBHKZBWUFEZ-AWEZNQCLSA-N 2 2 297.443 0.822 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001375511243 930904395 /nfs/dbraw/zinc/90/43/95/930904395.db2.gz MFEMUFDNHYTXJX-UPJWGTAASA-N 2 2 280.372 0.402 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001448510920 930907064 /nfs/dbraw/zinc/90/70/64/930907064.db2.gz LRFYVSUWAKCEEU-MGPQQGTHSA-N 2 2 294.399 0.529 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N(C)C1C[NH+](CCC[C@H](C)O)C1 ZINC001375721578 930960131 /nfs/dbraw/zinc/96/01/31/930960131.db2.gz DYTYINVZFUMJKB-LBPRGKRZSA-N 2 2 294.399 0.495 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N(C)C1C[NH+](CCC[C@@H](C)O)C1 ZINC001375721577 930960695 /nfs/dbraw/zinc/96/06/95/930960695.db2.gz DYTYINVZFUMJKB-GFCCVEGCSA-N 2 2 294.399 0.495 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001375859443 930991448 /nfs/dbraw/zinc/99/14/48/930991448.db2.gz YQVDKPZGXSPXOZ-GXTWGEPZSA-N 2 2 280.372 0.499 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001375859443 930991450 /nfs/dbraw/zinc/99/14/50/930991450.db2.gz YQVDKPZGXSPXOZ-GXTWGEPZSA-N 2 2 280.372 0.499 20 0 CCADLP COCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001375846590 930993359 /nfs/dbraw/zinc/99/33/59/930993359.db2.gz GPWOJJNJGVGFTH-SWLSCSKDSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001375846590 930993366 /nfs/dbraw/zinc/99/33/66/930993366.db2.gz GPWOJJNJGVGFTH-SWLSCSKDSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001375846590 930993370 /nfs/dbraw/zinc/99/33/70/930993370.db2.gz GPWOJJNJGVGFTH-SWLSCSKDSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001375846590 930993375 /nfs/dbraw/zinc/99/33/75/930993375.db2.gz GPWOJJNJGVGFTH-SWLSCSKDSA-N 2 2 294.399 0.815 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC001449074258 931062954 /nfs/dbraw/zinc/06/29/54/931062954.db2.gz FLZUOFBHXBSCKI-OLZOCXBDSA-N 2 2 294.399 0.745 20 0 CCADLP CC(C)C[NH2+]C[C@H](O)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001449156793 931087512 /nfs/dbraw/zinc/08/75/12/931087512.db2.gz HHTVQJRIQHIPGM-LBPRGKRZSA-N 2 2 296.415 0.752 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1nncs1 ZINC001376797010 931278451 /nfs/dbraw/zinc/27/84/51/931278451.db2.gz UFCWFESPLVVLOJ-QWRGUYRKSA-N 2 2 297.428 0.617 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1nncs1 ZINC001376797010 931278457 /nfs/dbraw/zinc/27/84/57/931278457.db2.gz UFCWFESPLVVLOJ-QWRGUYRKSA-N 2 2 297.428 0.617 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cncs1 ZINC001376842676 931301001 /nfs/dbraw/zinc/30/10/01/931301001.db2.gz YOSKAEJIRDSIMP-VIFPVBQESA-N 2 2 279.369 0.703 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)C1(C[NH+](C)C)CC1)CO2 ZINC001377087865 931377413 /nfs/dbraw/zinc/37/74/13/931377413.db2.gz NOTHXXBHNMPTKQ-LBPRGKRZSA-N 2 2 281.400 0.308 20 0 CCADLP CC(C)[NH+]1CCN(S(=O)(=O)CCC[NH+](C)C)CC1 ZINC000631721781 370644765 /nfs/dbraw/zinc/64/47/65/370644765.db2.gz PSOVELZYZXNVML-UHFFFAOYSA-N 2 2 277.434 0.294 20 0 CCADLP O=C(NCCn1cc[nH+]c1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000337539604 214146287 /nfs/dbraw/zinc/14/62/87/214146287.db2.gz INSNQIKUGUARTM-OLZOCXBDSA-N 2 2 277.372 0.809 20 0 CCADLP O=C(NCCn1cc[nH+]c1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000337539604 214146288 /nfs/dbraw/zinc/14/62/88/214146288.db2.gz INSNQIKUGUARTM-OLZOCXBDSA-N 2 2 277.372 0.809 20 0 CCADLP CC(C)C[C@@H]1COCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000093174191 349529884 /nfs/dbraw/zinc/52/98/84/349529884.db2.gz AQKWFUCBKNSYKV-CQSZACIVSA-N 2 2 283.416 0.507 20 0 CCADLP CC(C)C[C@@H]1COCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000093174191 349529887 /nfs/dbraw/zinc/52/98/87/349529887.db2.gz AQKWFUCBKNSYKV-CQSZACIVSA-N 2 2 283.416 0.507 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccncc2)CC1 ZINC000093222539 349532568 /nfs/dbraw/zinc/53/25/68/349532568.db2.gz QYBZMIHITTXPOK-OAHLLOKOSA-N 2 2 288.395 0.993 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccncc2)CC1 ZINC000093222539 349532571 /nfs/dbraw/zinc/53/25/71/349532571.db2.gz QYBZMIHITTXPOK-OAHLLOKOSA-N 2 2 288.395 0.993 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000336688203 282121765 /nfs/dbraw/zinc/12/17/65/282121765.db2.gz AEMHBKSCSTXJJN-AAEUAGOBSA-N 2 2 251.374 0.633 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000336688203 282121770 /nfs/dbraw/zinc/12/17/70/282121770.db2.gz AEMHBKSCSTXJJN-AAEUAGOBSA-N 2 2 251.374 0.633 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000337690571 214218245 /nfs/dbraw/zinc/21/82/45/214218245.db2.gz NYGYDDFLGKFQJO-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000337690571 214218247 /nfs/dbraw/zinc/21/82/47/214218247.db2.gz NYGYDDFLGKFQJO-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000093821111 349555058 /nfs/dbraw/zinc/55/50/58/349555058.db2.gz LOGGETJHSKZREO-ZDUSSCGKSA-N 2 2 277.372 0.148 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000093821111 349555061 /nfs/dbraw/zinc/55/50/61/349555061.db2.gz LOGGETJHSKZREO-ZDUSSCGKSA-N 2 2 277.372 0.148 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000093821111 349555062 /nfs/dbraw/zinc/55/50/62/349555062.db2.gz LOGGETJHSKZREO-ZDUSSCGKSA-N 2 2 277.372 0.148 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000093821111 349555065 /nfs/dbraw/zinc/55/50/65/349555065.db2.gz LOGGETJHSKZREO-ZDUSSCGKSA-N 2 2 277.372 0.148 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)NC(=O)NC2CCCCC2)CC[C@@H]1[NH3+] ZINC000094341799 349566781 /nfs/dbraw/zinc/56/67/81/349566781.db2.gz NHZKCZKOSNETEG-AAEUAGOBSA-N 2 2 296.415 0.814 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)NC(=O)NC2CCCCC2)CC[C@@H]1[NH3+] ZINC000094341799 349566784 /nfs/dbraw/zinc/56/67/84/349566784.db2.gz NHZKCZKOSNETEG-AAEUAGOBSA-N 2 2 296.415 0.814 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000337752329 214247102 /nfs/dbraw/zinc/24/71/02/214247102.db2.gz JUNDFSHMKJJAAR-OAHLLOKOSA-N 2 2 285.432 0.836 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000337752329 214247103 /nfs/dbraw/zinc/24/71/03/214247103.db2.gz JUNDFSHMKJJAAR-OAHLLOKOSA-N 2 2 285.432 0.836 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@H]3CCC[NH2+]C3)CC2)cc[nH+]1 ZINC000423777921 282186583 /nfs/dbraw/zinc/18/65/83/282186583.db2.gz GMSDINXZVBXGSD-ZDUSSCGKSA-N 2 2 289.383 0.433 20 0 CCADLP O=C(NCCn1cc[nH+]c1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000126139087 187220075 /nfs/dbraw/zinc/22/00/75/187220075.db2.gz BLTLJMDFRNWQDV-ZDUSSCGKSA-N 2 2 262.357 0.874 20 0 CCADLP Nc1nc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)nc2ccccc12 ZINC000112734018 349790038 /nfs/dbraw/zinc/79/00/38/349790038.db2.gz SZVKNDNTKIKDTP-PHIMTYICSA-N 2 2 269.352 0.863 20 0 CCADLP Nc1nc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)nc2ccccc12 ZINC000112734018 349790043 /nfs/dbraw/zinc/79/00/43/349790043.db2.gz SZVKNDNTKIKDTP-PHIMTYICSA-N 2 2 269.352 0.863 20 0 CCADLP COC(=O)c1cnc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cn1 ZINC000600705947 362037366 /nfs/dbraw/zinc/03/73/66/362037366.db2.gz BSOLIWFULBCUAP-ZJUUUORDSA-N 2 2 264.329 0.432 20 0 CCADLP COC(=O)c1cnc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cn1 ZINC000600705947 362037375 /nfs/dbraw/zinc/03/73/75/362037375.db2.gz BSOLIWFULBCUAP-ZJUUUORDSA-N 2 2 264.329 0.432 20 0 CCADLP COC(=O)CCCC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000600705927 362037657 /nfs/dbraw/zinc/03/76/57/362037657.db2.gz BQIKTXLPLFHWHV-CYBMUJFWSA-N 2 2 297.399 0.226 20 0 CCADLP COC(=O)CCCC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000600705927 362037663 /nfs/dbraw/zinc/03/76/63/362037663.db2.gz BQIKTXLPLFHWHV-CYBMUJFWSA-N 2 2 297.399 0.226 20 0 CCADLP CC[NH+](CC)CC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000112914374 349794780 /nfs/dbraw/zinc/79/47/80/349794780.db2.gz HJWDUYUQJMQXQH-HNNXBMFYSA-N 2 2 298.475 0.716 20 0 CCADLP CC[NH+](CC)CC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000112914374 349794791 /nfs/dbraw/zinc/79/47/91/349794791.db2.gz HJWDUYUQJMQXQH-HNNXBMFYSA-N 2 2 298.475 0.716 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000600728668 362047341 /nfs/dbraw/zinc/04/73/41/362047341.db2.gz AUHRAWLVNAIUFY-UTUOFQBUSA-N 2 2 256.346 0.248 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000600728668 362047346 /nfs/dbraw/zinc/04/73/46/362047346.db2.gz AUHRAWLVNAIUFY-UTUOFQBUSA-N 2 2 256.346 0.248 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CC3=Cc4ccccc4OC3)CCN2C1=O ZINC000600769337 362058479 /nfs/dbraw/zinc/05/84/79/362058479.db2.gz MYYSFKOSIMHHDF-LSDHHAIUSA-N 2 2 299.374 0.706 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CC3=Cc4ccccc4OC3)CCN2C1=O ZINC000600769337 362058483 /nfs/dbraw/zinc/05/84/83/362058483.db2.gz MYYSFKOSIMHHDF-LSDHHAIUSA-N 2 2 299.374 0.706 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2CCCC[NH+]2C)CCO1 ZINC000600983051 362115040 /nfs/dbraw/zinc/11/50/40/362115040.db2.gz PCRMLUJFTTZZGZ-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CCCC[NH+]2C)CCO1 ZINC000600983051 362115046 /nfs/dbraw/zinc/11/50/46/362115046.db2.gz PCRMLUJFTTZZGZ-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC000600983051 362115052 /nfs/dbraw/zinc/11/50/52/362115052.db2.gz PCRMLUJFTTZZGZ-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)[C@@H]2CCCC[N@H+]2C)CCO1 ZINC000600983051 362115058 /nfs/dbraw/zinc/11/50/58/362115058.db2.gz PCRMLUJFTTZZGZ-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)Cc2c[nH+]cn2C)[C@@H](C)CO1 ZINC000617725853 365734175 /nfs/dbraw/zinc/73/41/75/365734175.db2.gz PNMLYEBCWYQQPF-RYUDHWBXSA-N 2 2 280.372 0.188 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)Cc2c[nH+]cn2C)[C@@H](C)CO1 ZINC000617725853 365734182 /nfs/dbraw/zinc/73/41/82/365734182.db2.gz PNMLYEBCWYQQPF-RYUDHWBXSA-N 2 2 280.372 0.188 20 0 CCADLP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113513522 349814413 /nfs/dbraw/zinc/81/44/13/349814413.db2.gz BIDXWWFHXMHEAQ-ZDUSSCGKSA-N 2 2 253.390 0.738 20 0 CCADLP CN(CC1CC1)C(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113513522 349814417 /nfs/dbraw/zinc/81/44/17/349814417.db2.gz BIDXWWFHXMHEAQ-ZDUSSCGKSA-N 2 2 253.390 0.738 20 0 CCADLP Cc1ncoc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765710 365770618 /nfs/dbraw/zinc/77/06/18/365770618.db2.gz NABBTAKTAGSATH-UHFFFAOYSA-N 2 2 268.361 0.596 20 0 CCADLP Cc1ncoc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765710 365770626 /nfs/dbraw/zinc/77/06/26/365770626.db2.gz NABBTAKTAGSATH-UHFFFAOYSA-N 2 2 268.361 0.596 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H](O)C1CCC1 ZINC000617762293 365764333 /nfs/dbraw/zinc/76/43/33/365764333.db2.gz MBAFHYLLZWUNOB-ZDUSSCGKSA-N 2 2 271.405 0.147 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H](O)C1CCC1 ZINC000617762293 365764340 /nfs/dbraw/zinc/76/43/40/365764340.db2.gz MBAFHYLLZWUNOB-ZDUSSCGKSA-N 2 2 271.405 0.147 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CC12CC2 ZINC000617763246 365766368 /nfs/dbraw/zinc/76/63/68/365766368.db2.gz KKLCOJQVBVHNAX-LBPRGKRZSA-N 2 2 253.390 0.786 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CC12CC2 ZINC000617763246 365766373 /nfs/dbraw/zinc/76/63/73/365766373.db2.gz KKLCOJQVBVHNAX-LBPRGKRZSA-N 2 2 253.390 0.786 20 0 CCADLP C[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccnn1C ZINC000617763249 365766673 /nfs/dbraw/zinc/76/66/73/365766673.db2.gz KOANLMZTEGNFKY-CYBMUJFWSA-N 2 2 295.431 0.523 20 0 CCADLP C[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccnn1C ZINC000617763249 365766678 /nfs/dbraw/zinc/76/66/78/365766678.db2.gz KOANLMZTEGNFKY-CYBMUJFWSA-N 2 2 295.431 0.523 20 0 CCADLP CCn1cnc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000617763173 365766886 /nfs/dbraw/zinc/76/68/86/365766886.db2.gz IETMIUWQVIPOGM-UHFFFAOYSA-N 2 2 281.404 0.516 20 0 CCADLP CCn1cnc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000617763173 365766890 /nfs/dbraw/zinc/76/68/90/365766890.db2.gz IETMIUWQVIPOGM-UHFFFAOYSA-N 2 2 281.404 0.516 20 0 CCADLP Cc1c[nH]cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1=O ZINC000617764747 365768232 /nfs/dbraw/zinc/76/82/32/365768232.db2.gz FAUFVBBBPOCEGR-UHFFFAOYSA-N 2 2 294.399 0.297 20 0 CCADLP Cc1c[nH]cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1=O ZINC000617764747 365768242 /nfs/dbraw/zinc/76/82/42/365768242.db2.gz FAUFVBBBPOCEGR-UHFFFAOYSA-N 2 2 294.399 0.297 20 0 CCADLP CCn1nccc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764847 365768315 /nfs/dbraw/zinc/76/83/15/365768315.db2.gz JBFODEJDMFBDSU-UHFFFAOYSA-N 2 2 281.404 0.516 20 0 CCADLP CCn1nccc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764847 365768323 /nfs/dbraw/zinc/76/83/23/365768323.db2.gz JBFODEJDMFBDSU-UHFFFAOYSA-N 2 2 281.404 0.516 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccon1 ZINC000617766963 365773653 /nfs/dbraw/zinc/77/36/53/365773653.db2.gz AJQSNRGJJRXGFJ-UHFFFAOYSA-N 2 2 254.334 0.288 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccon1 ZINC000617766963 365773659 /nfs/dbraw/zinc/77/36/59/365773659.db2.gz AJQSNRGJJRXGFJ-UHFFFAOYSA-N 2 2 254.334 0.288 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCn1cc[nH+]c1 ZINC000617766345 365771272 /nfs/dbraw/zinc/77/12/72/365771272.db2.gz HBSUFLLKRSCVNI-UHFFFAOYSA-N 3 2 281.404 0.273 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCn1cc[nH+]c1 ZINC000617766345 365771276 /nfs/dbraw/zinc/77/12/76/365771276.db2.gz HBSUFLLKRSCVNI-UHFFFAOYSA-N 3 2 281.404 0.273 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCCOC1 ZINC000617766291 365771378 /nfs/dbraw/zinc/77/13/78/365771378.db2.gz FEVMTYKFQYOPIJ-ZDUSSCGKSA-N 2 2 271.405 0.413 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCCOC1 ZINC000617766291 365771382 /nfs/dbraw/zinc/77/13/82/365771382.db2.gz FEVMTYKFQYOPIJ-ZDUSSCGKSA-N 2 2 271.405 0.413 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000114479443 349832829 /nfs/dbraw/zinc/83/28/29/349832829.db2.gz QSAKQWMCMXGJRF-GFCCVEGCSA-N 2 2 296.415 0.638 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000114479443 349832831 /nfs/dbraw/zinc/83/28/31/349832831.db2.gz QSAKQWMCMXGJRF-GFCCVEGCSA-N 2 2 296.415 0.638 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@@H]2CCO)n1C ZINC000425335923 529807273 /nfs/dbraw/zinc/80/72/73/529807273.db2.gz JFXYORIMRVOFLJ-LLVKDONJSA-N 2 2 252.362 0.833 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@@H]2CCO)n1C ZINC000425335923 529807274 /nfs/dbraw/zinc/80/72/74/529807274.db2.gz JFXYORIMRVOFLJ-LLVKDONJSA-N 2 2 252.362 0.833 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](CO)c2cccnc2)n1C ZINC000425342902 529809352 /nfs/dbraw/zinc/80/93/52/529809352.db2.gz BLTZZDZNQHIEPE-ZDUSSCGKSA-N 2 2 289.383 0.747 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2c[nH]nc2-c2cccnc2)C1 ZINC000358142936 529809762 /nfs/dbraw/zinc/80/97/62/529809762.db2.gz RYFXSBJLUULIHK-HNNXBMFYSA-N 2 2 287.367 0.628 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2c[nH]nc2-c2cccnc2)C1 ZINC000358142936 529809763 /nfs/dbraw/zinc/80/97/63/529809763.db2.gz RYFXSBJLUULIHK-HNNXBMFYSA-N 2 2 287.367 0.628 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)n1C ZINC000425377742 529810090 /nfs/dbraw/zinc/81/00/90/529810090.db2.gz HXILEOOBGCRPDH-NWDGAFQWSA-N 2 2 282.388 0.221 20 0 CCADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCCn1cc[nH+]c1 ZINC000115779433 349860496 /nfs/dbraw/zinc/86/04/96/349860496.db2.gz NKXGCAPRWLHMFO-ZDUSSCGKSA-N 2 2 279.388 0.866 20 0 CCADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCCn1cc[nH+]c1 ZINC000115779433 349860498 /nfs/dbraw/zinc/86/04/98/349860498.db2.gz NKXGCAPRWLHMFO-ZDUSSCGKSA-N 2 2 279.388 0.866 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)NCC1([NH3+])CCCCC1 ZINC000418297830 529911027 /nfs/dbraw/zinc/91/10/27/529911027.db2.gz OTNYQKREPZSOJU-UHFFFAOYSA-N 2 2 298.431 0.622 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@](C)([NH3+])c1ccccc1 ZINC000423738909 529911234 /nfs/dbraw/zinc/91/12/34/529911234.db2.gz FNZTXZSBLSQVMV-MRXNPFEDSA-N 2 2 291.395 0.651 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000423744926 529911444 /nfs/dbraw/zinc/91/14/44/529911444.db2.gz LUHRXCFKARPXCF-UKRRQHHQSA-N 2 2 281.400 0.167 20 0 CCADLP C[N@H+](CCn1cc[nH+]c1)C(C)(C)CN1CCOCC1 ZINC000412100850 529940690 /nfs/dbraw/zinc/94/06/90/529940690.db2.gz TVIVCXNCNOZBKE-UHFFFAOYSA-N 2 2 266.389 0.926 20 0 CCADLP C[N@@H+](CCn1cc[nH+]c1)C(C)(C)CN1CCOCC1 ZINC000412100850 529940692 /nfs/dbraw/zinc/94/06/92/529940692.db2.gz TVIVCXNCNOZBKE-UHFFFAOYSA-N 2 2 266.389 0.926 20 0 CCADLP C[NH2+]CCC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000423883643 529959237 /nfs/dbraw/zinc/95/92/37/529959237.db2.gz YBSDKZAEEBFNIY-ZDUSSCGKSA-N 2 2 269.389 0.165 20 0 CCADLP C[NH2+]CCC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000423883643 529959238 /nfs/dbraw/zinc/95/92/38/529959238.db2.gz YBSDKZAEEBFNIY-ZDUSSCGKSA-N 2 2 269.389 0.165 20 0 CCADLP C[N@H+](C1CC([NH3+])C1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000420332036 282336996 /nfs/dbraw/zinc/33/69/96/282336996.db2.gz NBUMYXXHXCQGPC-AMDVSUOASA-N 2 2 265.279 0.571 20 0 CCADLP C[N@@H+](C1CC([NH3+])C1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000420332036 282336997 /nfs/dbraw/zinc/33/69/97/282336997.db2.gz NBUMYXXHXCQGPC-AMDVSUOASA-N 2 2 265.279 0.571 20 0 CCADLP C[N@@H+]1CCN(C(=O)/C=C/C2CCCC2)[C@H](C[NH3+])C1 ZINC000493055612 530065918 /nfs/dbraw/zinc/06/59/18/530065918.db2.gz SPEMTGCITVUKRX-KTRBRXNASA-N 2 2 251.374 0.834 20 0 CCADLP C[N@H+]1CCN(C(=O)/C=C/C2CCCC2)[C@H](C[NH3+])C1 ZINC000493055612 530065919 /nfs/dbraw/zinc/06/59/19/530065919.db2.gz SPEMTGCITVUKRX-KTRBRXNASA-N 2 2 251.374 0.834 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000367268555 530067131 /nfs/dbraw/zinc/06/71/31/530067131.db2.gz WMFSBCTUXCQBST-BETUJISGSA-N 2 2 267.373 0.014 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000367268555 530067132 /nfs/dbraw/zinc/06/71/32/530067132.db2.gz WMFSBCTUXCQBST-BETUJISGSA-N 2 2 267.373 0.014 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)CC1 ZINC000451600296 530068356 /nfs/dbraw/zinc/06/83/56/530068356.db2.gz GWTLXBLDZVJSMD-HOCLYGCPSA-N 2 2 295.427 0.147 20 0 CCADLP O=c1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)nc2cc[nH]n21 ZINC000358517885 232117942 /nfs/dbraw/zinc/11/79/42/232117942.db2.gz QBDNLIFFXBWLIF-UHFFFAOYSA-N 2 2 287.367 0.598 20 0 CCADLP O=c1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)nc2cc[nH]n21 ZINC000358517885 232117944 /nfs/dbraw/zinc/11/79/44/232117944.db2.gz QBDNLIFFXBWLIF-UHFFFAOYSA-N 2 2 287.367 0.598 20 0 CCADLP C[C@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000119474921 349938540 /nfs/dbraw/zinc/93/85/40/349938540.db2.gz PUJNVTPYBGHQQR-HIFRSBDPSA-N 2 2 291.395 0.913 20 0 CCADLP Nc1ccnc(C[NH+]2CCC(n3cc[nH+]c3)CC2)n1 ZINC000533538420 290794838 /nfs/dbraw/zinc/79/48/38/290794838.db2.gz NBTXRNGVHVAHOY-UHFFFAOYSA-N 2 2 258.329 0.923 20 0 CCADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](CC)C1 ZINC000617927868 365838357 /nfs/dbraw/zinc/83/83/57/365838357.db2.gz DZYYWQSNSNPSLA-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](CC)C1 ZINC000617927868 365838362 /nfs/dbraw/zinc/83/83/62/365838362.db2.gz DZYYWQSNSNPSLA-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](CC)C1 ZINC000617927868 365838365 /nfs/dbraw/zinc/83/83/65/365838365.db2.gz DZYYWQSNSNPSLA-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](CC)C1 ZINC000617927868 365838369 /nfs/dbraw/zinc/83/83/69/365838369.db2.gz DZYYWQSNSNPSLA-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CCN(C#N)CC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000602822958 362819858 /nfs/dbraw/zinc/81/98/58/362819858.db2.gz HOHVBLWEESZCNL-HNNXBMFYSA-N 2 2 280.416 0.834 20 0 CCADLP CCN(C#N)CC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000602822958 362819864 /nfs/dbraw/zinc/81/98/64/362819864.db2.gz HOHVBLWEESZCNL-HNNXBMFYSA-N 2 2 280.416 0.834 20 0 CCADLP CCNC(=O)[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000339331174 215099231 /nfs/dbraw/zinc/09/92/31/215099231.db2.gz SVCLYESJVDNMMK-QWHCGFSZSA-N 2 2 271.405 0.192 20 0 CCADLP CCNC(=O)[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000339331174 215099234 /nfs/dbraw/zinc/09/92/34/215099234.db2.gz SVCLYESJVDNMMK-QWHCGFSZSA-N 2 2 271.405 0.192 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C)C(C)C ZINC000252112321 137002847 /nfs/dbraw/zinc/00/28/47/137002847.db2.gz JSVDXTCDNCPRSN-MPKXVKKWSA-N 2 2 269.389 0.385 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C)C(C)C ZINC000252112321 137002848 /nfs/dbraw/zinc/00/28/48/137002848.db2.gz JSVDXTCDNCPRSN-MPKXVKKWSA-N 2 2 269.389 0.385 20 0 CCADLP NC(=O)c1cccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000261582171 137010262 /nfs/dbraw/zinc/01/02/62/137010262.db2.gz GONFXGTWXYWIKK-OAHLLOKOSA-N 2 2 259.353 0.971 20 0 CCADLP NC(=O)c1cccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000261582171 137010263 /nfs/dbraw/zinc/01/02/63/137010263.db2.gz GONFXGTWXYWIKK-OAHLLOKOSA-N 2 2 259.353 0.971 20 0 CCADLP C[C@@H](C[NH3+])C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000262460106 137044133 /nfs/dbraw/zinc/04/41/33/137044133.db2.gz XBJLOPVLJAQCKE-JTQLQIEISA-N 2 2 250.346 0.473 20 0 CCADLP CCC(CC)[C@H](C(=O)NC1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000262516813 137045905 /nfs/dbraw/zinc/04/59/05/137045905.db2.gz SSXSZLFPARQJNG-OAHLLOKOSA-N 2 2 297.443 0.992 20 0 CCADLP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000262691676 137050599 /nfs/dbraw/zinc/05/05/99/137050599.db2.gz ANQAABNZSXGYTR-DGCLKSJQSA-N 2 2 250.346 0.907 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000262761557 137052579 /nfs/dbraw/zinc/05/25/79/137052579.db2.gz AKHVHKMGBVUYDA-NSHDSACASA-N 2 2 262.313 0.314 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262906293 137055207 /nfs/dbraw/zinc/05/52/07/137055207.db2.gz FFNGYTCTRZHTOL-GHMZBOCLSA-N 2 2 275.343 0.926 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262906293 137055208 /nfs/dbraw/zinc/05/52/08/137055208.db2.gz FFNGYTCTRZHTOL-GHMZBOCLSA-N 2 2 275.343 0.926 20 0 CCADLP C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC[NH3+] ZINC000263052490 137057728 /nfs/dbraw/zinc/05/77/28/137057728.db2.gz UPVNAYBBSBRPKA-SECBINFHSA-N 2 2 257.359 0.286 20 0 CCADLP C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC[NH3+] ZINC000263052490 137057729 /nfs/dbraw/zinc/05/77/29/137057729.db2.gz UPVNAYBBSBRPKA-SECBINFHSA-N 2 2 257.359 0.286 20 0 CCADLP CCC[N@H+](CC)CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263110448 137058257 /nfs/dbraw/zinc/05/82/57/137058257.db2.gz AGOCYQOBLCVJPL-JTQLQIEISA-N 2 2 263.332 0.832 20 0 CCADLP CCC[N@@H+](CC)CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263110448 137058258 /nfs/dbraw/zinc/05/82/58/137058258.db2.gz AGOCYQOBLCVJPL-JTQLQIEISA-N 2 2 263.332 0.832 20 0 CCADLP CC(C)CNC(=O)[C@H](C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261730216 137017415 /nfs/dbraw/zinc/01/74/15/137017415.db2.gz KZVGGXIKCMUTSU-UONOGXRCSA-N 2 2 282.432 0.127 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NCc1ccc(F)cc1 ZINC000261733334 137017441 /nfs/dbraw/zinc/01/74/41/137017441.db2.gz RIFUZELTMBUECA-KGLIPLIRSA-N 2 2 291.370 0.983 20 0 CCADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NCc1ccc(F)cc1 ZINC000261733334 137017442 /nfs/dbraw/zinc/01/74/42/137017442.db2.gz RIFUZELTMBUECA-KGLIPLIRSA-N 2 2 291.370 0.983 20 0 CCADLP C[NH+]1CCC([N@H+](CCO)Cc2cnc(N)s2)CC1 ZINC000261752908 137018420 /nfs/dbraw/zinc/01/84/20/137018420.db2.gz KBLUMACIVKPITF-UHFFFAOYSA-N 2 2 270.402 0.614 20 0 CCADLP C[NH+]1CCC([N@@H+](CCO)Cc2cnc(N)s2)CC1 ZINC000261752908 137018421 /nfs/dbraw/zinc/01/84/21/137018421.db2.gz KBLUMACIVKPITF-UHFFFAOYSA-N 2 2 270.402 0.614 20 0 CCADLP Cn1ccnc1CN1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261911150 137025650 /nfs/dbraw/zinc/02/56/50/137025650.db2.gz YFHQANLIJVMVBB-HNNXBMFYSA-N 2 2 277.416 0.537 20 0 CCADLP C[C@]1(C[NH3+])CC[N@@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000261912143 137025672 /nfs/dbraw/zinc/02/56/72/137025672.db2.gz XQYCYNJKGLZMAP-GXSJLCMTSA-N 2 2 279.306 0.820 20 0 CCADLP C[C@]1(C[NH3+])CC[N@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000261912143 137025673 /nfs/dbraw/zinc/02/56/73/137025673.db2.gz XQYCYNJKGLZMAP-GXSJLCMTSA-N 2 2 279.306 0.820 20 0 CCADLP Cc1cc(C[N@H+](C)CCC(=O)N2CC[NH2+]CC2)no1 ZINC000262005044 137028136 /nfs/dbraw/zinc/02/81/36/137028136.db2.gz DXWGPRFHVZNHTO-UHFFFAOYSA-N 2 2 266.345 0.237 20 0 CCADLP Cc1cc(C[N@@H+](C)CCC(=O)N2CC[NH2+]CC2)no1 ZINC000262005044 137028137 /nfs/dbraw/zinc/02/81/37/137028137.db2.gz DXWGPRFHVZNHTO-UHFFFAOYSA-N 2 2 266.345 0.237 20 0 CCADLP O=C(C[NH2+]CC1CC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000263295152 137063022 /nfs/dbraw/zinc/06/30/22/137063022.db2.gz XUWNCENETGEVTD-AWEZNQCLSA-N 2 2 281.400 0.309 20 0 CCADLP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000313151222 137077793 /nfs/dbraw/zinc/07/77/93/137077793.db2.gz GQACOVIMGZJNTN-OCCSQVGLSA-N 2 2 279.384 0.457 20 0 CCADLP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000313151222 137077794 /nfs/dbraw/zinc/07/77/94/137077794.db2.gz GQACOVIMGZJNTN-OCCSQVGLSA-N 2 2 279.384 0.457 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCNC(=O)c1ccccc1 ZINC000343165842 137118797 /nfs/dbraw/zinc/11/87/97/137118797.db2.gz VNVWHAHXLATOAK-OCCSQVGLSA-N 2 2 261.369 0.956 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCNC(=O)c1ccccc1 ZINC000343165842 137118798 /nfs/dbraw/zinc/11/87/98/137118798.db2.gz VNVWHAHXLATOAK-OCCSQVGLSA-N 2 2 261.369 0.956 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH+](C)C ZINC000343179412 137119408 /nfs/dbraw/zinc/11/94/08/137119408.db2.gz ZLJYSOAUOSXDIJ-WDEREUQCSA-N 2 2 250.346 0.512 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCC[NH2+][C@H]1C)[NH+]1CCN(C)CC1 ZINC000343476399 137137426 /nfs/dbraw/zinc/13/74/26/137137426.db2.gz MVBLDFHSNGCYAX-HZSPNIEDSA-N 2 2 282.432 0.127 20 0 CCADLP Cn1cc[nH+]c1CN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000343636061 137146524 /nfs/dbraw/zinc/14/65/24/137146524.db2.gz AOHOHCLRXPFHHS-UHFFFAOYSA-N 2 2 291.399 0.160 20 0 CCADLP CC[C@]1(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CCC[NH2+]1 ZINC000343779263 137157245 /nfs/dbraw/zinc/15/72/45/137157245.db2.gz ZRGHPXNEDKVIGO-GXTWGEPZSA-N 2 2 269.389 0.356 20 0 CCADLP CC[C@]1(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CCC[NH2+]1 ZINC000343779263 137157246 /nfs/dbraw/zinc/15/72/46/137157246.db2.gz ZRGHPXNEDKVIGO-GXTWGEPZSA-N 2 2 269.389 0.356 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NCC[N@H+]2CCOC[C@@H]2C)CCC[NH+]1C ZINC000343880177 137163895 /nfs/dbraw/zinc/16/38/95/137163895.db2.gz XZJGUMXVDMAQFZ-BFHYXJOUSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NCC[N@@H+]2CCOC[C@@H]2C)CCC[NH+]1C ZINC000343880177 137163896 /nfs/dbraw/zinc/16/38/96/137163896.db2.gz XZJGUMXVDMAQFZ-BFHYXJOUSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NCC[NH+]2CCOC[C@@H]2C)CCC[N@@H+]1C ZINC000343880177 137163897 /nfs/dbraw/zinc/16/38/97/137163897.db2.gz XZJGUMXVDMAQFZ-BFHYXJOUSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NCC[NH+]2CCOC[C@@H]2C)CCC[N@H+]1C ZINC000343880177 137163898 /nfs/dbraw/zinc/16/38/98/137163898.db2.gz XZJGUMXVDMAQFZ-BFHYXJOUSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H]1CCCC[N@@H+]1CC[NH2+]C1CCN(C(N)=O)CC1 ZINC000343417905 137133432 /nfs/dbraw/zinc/13/34/32/137133432.db2.gz FRUUUOWBMYORSO-LBPRGKRZSA-N 2 2 268.405 0.994 20 0 CCADLP C[C@H]1CCCC[N@H+]1CC[NH2+]C1CCN(C(N)=O)CC1 ZINC000343417905 137133433 /nfs/dbraw/zinc/13/34/33/137133433.db2.gz FRUUUOWBMYORSO-LBPRGKRZSA-N 2 2 268.405 0.994 20 0 CCADLP CN(C)[C@H](C(=O)N1CC[NH+]2CCC1CC2)c1c[nH+]cn1C ZINC000339346143 215111472 /nfs/dbraw/zinc/11/14/72/215111472.db2.gz XBVDNRVFDFANHN-AWEZNQCLSA-N 2 2 291.399 0.329 20 0 CCADLP COCCCCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000344191924 137182929 /nfs/dbraw/zinc/18/29/29/137182929.db2.gz WWQKTZSKBOQWQX-UHFFFAOYSA-N 2 2 271.405 0.509 20 0 CCADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[NH2+]CC1 ZINC000019486363 348063840 /nfs/dbraw/zinc/06/38/40/348063840.db2.gz IMGLDJMKIVOSPB-UHFFFAOYSA-N 2 2 258.325 0.777 20 0 CCADLP CCO[C@H]1C[C@H]1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000344772963 137212719 /nfs/dbraw/zinc/21/27/19/137212719.db2.gz RALXRZYCOFJBQN-CABCVRRESA-N 2 2 297.443 0.896 20 0 CCADLP CCO[C@H]1C[C@H]1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000344772963 137212720 /nfs/dbraw/zinc/21/27/20/137212720.db2.gz RALXRZYCOFJBQN-CABCVRRESA-N 2 2 297.443 0.896 20 0 CCADLP Cc1cccn2c(=O)cc(C[NH+]3CCC([NH3+])CC3)nc12 ZINC000036753825 348169307 /nfs/dbraw/zinc/16/93/07/348169307.db2.gz IJJDGOWAMVBRBG-UHFFFAOYSA-N 2 2 272.352 0.926 20 0 CCADLP CCCCNC(=O)NC(=O)C[NH+]1CCC([NH3+])CC1 ZINC000036754501 348169938 /nfs/dbraw/zinc/16/99/38/348169938.db2.gz XEJDMTBSLJPVJO-UHFFFAOYSA-N 2 2 256.350 0.035 20 0 CCADLP CCOc1cccc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)c1 ZINC000037679982 348198309 /nfs/dbraw/zinc/19/83/09/348198309.db2.gz ZDIRVPLUGYAWLS-UHFFFAOYSA-N 2 2 291.395 0.949 20 0 CCADLP O=C([C@H]1CSC[NH2+]1)N1CC[NH+](CC2CC2)CC1 ZINC000037816773 348209553 /nfs/dbraw/zinc/20/95/53/348209553.db2.gz BSGOQSAGIZALTG-LLVKDONJSA-N 2 2 255.387 0.203 20 0 CCADLP [NH3+][C@@H](CC(F)F)C(=O)NCCCNc1cccc[nH+]1 ZINC000345703407 137246792 /nfs/dbraw/zinc/24/67/92/137246792.db2.gz CSYFISAQHZAKAM-VIFPVBQESA-N 2 2 272.299 0.982 20 0 CCADLP [NH3+][C@@H](CC(F)F)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000345704599 137247096 /nfs/dbraw/zinc/24/70/96/137247096.db2.gz FCRSUTHQIPOTQF-MNOVXSKESA-N 2 2 291.342 0.292 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000346296362 137277813 /nfs/dbraw/zinc/27/78/13/137277813.db2.gz VCZRNRXAJPYDPZ-STQMWFEESA-N 2 2 269.389 0.295 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000346327253 137279630 /nfs/dbraw/zinc/27/96/30/137279630.db2.gz NUYHLFXZNMBEKJ-LBPRGKRZSA-N 2 2 250.346 0.921 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@H]1CC(N)=O ZINC000346327253 137279631 /nfs/dbraw/zinc/27/96/31/137279631.db2.gz NUYHLFXZNMBEKJ-LBPRGKRZSA-N 2 2 250.346 0.921 20 0 CCADLP NC(=O)NC(=O)CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346475195 137288863 /nfs/dbraw/zinc/28/88/63/137288863.db2.gz RXOKFHIXKVBDCR-LLVKDONJSA-N 2 2 278.312 0.120 20 0 CCADLP NC(=O)NC(=O)CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000346475195 137288864 /nfs/dbraw/zinc/28/88/64/137288864.db2.gz RXOKFHIXKVBDCR-LLVKDONJSA-N 2 2 278.312 0.120 20 0 CCADLP COc1cc[nH+]c(CN2CCC[N@@H+]([C@@H](C)CO)CC2)c1 ZINC000346690574 137299434 /nfs/dbraw/zinc/29/94/34/137299434.db2.gz UCLOJWYRAWQJJT-ZDUSSCGKSA-N 2 2 279.384 0.979 20 0 CCADLP COc1cc[nH+]c(CN2CCC[N@H+]([C@@H](C)CO)CC2)c1 ZINC000346690574 137299435 /nfs/dbraw/zinc/29/94/35/137299435.db2.gz UCLOJWYRAWQJJT-ZDUSSCGKSA-N 2 2 279.384 0.979 20 0 CCADLP C[C@H]1C[N@H+](CCn2cc[nH+]c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000346188674 137272116 /nfs/dbraw/zinc/27/21/16/137272116.db2.gz MXFLXGULBUDWJK-JKSUJKDBSA-N 3 2 291.443 0.841 20 0 CCADLP C[C@H]1C[N@@H+](CCn2cc[nH+]c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000346188674 137272117 /nfs/dbraw/zinc/27/21/17/137272117.db2.gz MXFLXGULBUDWJK-JKSUJKDBSA-N 3 2 291.443 0.841 20 0 CCADLP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000346188668 137272272 /nfs/dbraw/zinc/27/22/72/137272272.db2.gz MXFLXGULBUDWJK-CVEARBPZSA-N 3 2 291.443 0.841 20 0 CCADLP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000346188668 137272273 /nfs/dbraw/zinc/27/22/73/137272273.db2.gz MXFLXGULBUDWJK-CVEARBPZSA-N 3 2 291.443 0.841 20 0 CCADLP Cn1cc(N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)cn1 ZINC000346980553 137314111 /nfs/dbraw/zinc/31/41/11/137314111.db2.gz LYIKAHWKEDDRGI-CYBMUJFWSA-N 2 2 263.389 0.542 20 0 CCADLP Nc1nsc(N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000346999824 137315113 /nfs/dbraw/zinc/31/51/13/137315113.db2.gz ZCLOFSXSDYKYAV-SNVBAGLBSA-N 2 2 282.417 0.072 20 0 CCADLP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346847522 137308277 /nfs/dbraw/zinc/30/82/77/137308277.db2.gz PEJYPZGAKJTOIK-HNNXBMFYSA-N 3 2 294.443 0.226 20 0 CCADLP CCC1([NH+](C)C)CC[NH+](C[C@@](C)(O)C(=O)OC)CC1 ZINC000602966524 362911970 /nfs/dbraw/zinc/91/19/70/362911970.db2.gz ILGAZFWMLUCVCT-CYBMUJFWSA-N 2 2 272.389 0.717 20 0 CCADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)Cn1cccn1 ZINC000347481625 137338894 /nfs/dbraw/zinc/33/88/94/137338894.db2.gz JWLCABAXTMZQBV-KGLIPLIRSA-N 2 2 266.389 0.972 20 0 CCADLP Cc1cnc(C[N@H+](C)CCCN2CC[NH+](C)CC2)n1C ZINC000349313064 137391828 /nfs/dbraw/zinc/39/18/28/137391828.db2.gz GNRNMBKTXVGNHV-UHFFFAOYSA-N 2 2 279.432 0.798 20 0 CCADLP Cc1cnc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)n1C ZINC000349313064 137391829 /nfs/dbraw/zinc/39/18/29/137391829.db2.gz GNRNMBKTXVGNHV-UHFFFAOYSA-N 2 2 279.432 0.798 20 0 CCADLP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccn(C)n1 ZINC000349452849 137393994 /nfs/dbraw/zinc/39/39/94/137393994.db2.gz NULRJSZEMDIOFJ-OLZOCXBDSA-N 2 2 266.389 0.918 20 0 CCADLP C[C@H](O)[C@@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)CCO1 ZINC000412068317 233025460 /nfs/dbraw/zinc/02/54/60/233025460.db2.gz IHDZXWCWMQKKFA-MJBXVCDLSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@H](O)[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)CCO1 ZINC000412068317 233025468 /nfs/dbraw/zinc/02/54/68/233025468.db2.gz IHDZXWCWMQKKFA-MJBXVCDLSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@H](O)[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)CCO1 ZINC000412068317 233025479 /nfs/dbraw/zinc/02/54/79/233025479.db2.gz IHDZXWCWMQKKFA-MJBXVCDLSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@H](O)[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)CCO1 ZINC000412068317 233025487 /nfs/dbraw/zinc/02/54/87/233025487.db2.gz IHDZXWCWMQKKFA-MJBXVCDLSA-N 2 2 256.390 0.942 20 0 CCADLP Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])c1ccccc1 ZINC000050460781 348476520 /nfs/dbraw/zinc/47/65/20/348476520.db2.gz MDTFWMDIGICUTR-FRRDWIJNSA-N 2 2 270.336 0.973 20 0 CCADLP C[NH2+][C@@H](C)C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000054076178 348541490 /nfs/dbraw/zinc/54/14/90/348541490.db2.gz RWIFAUDAECFCIZ-QWHCGFSZSA-N 2 2 271.405 0.457 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(OC)CC2)CC1 ZINC000053906782 348536438 /nfs/dbraw/zinc/53/64/38/348536438.db2.gz NRXIUXWXLXIGQC-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP COCCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000066148273 348735009 /nfs/dbraw/zinc/73/50/09/348735009.db2.gz KFHBRZKUBQMVGU-UHFFFAOYSA-N 2 2 271.405 0.507 20 0 CCADLP COCCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000066148273 348735012 /nfs/dbraw/zinc/73/50/12/348735012.db2.gz KFHBRZKUBQMVGU-UHFFFAOYSA-N 2 2 271.405 0.507 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CCCOC)CC1 ZINC000066865484 348758321 /nfs/dbraw/zinc/75/83/21/348758321.db2.gz RTDJZFQVMKTQPE-ZDUSSCGKSA-N 2 2 271.405 0.507 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CCCOC)CC1 ZINC000066865484 348758325 /nfs/dbraw/zinc/75/83/25/348758325.db2.gz RTDJZFQVMKTQPE-ZDUSSCGKSA-N 2 2 271.405 0.507 20 0 CCADLP NC(=O)C[N@@H+]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000068453353 348810327 /nfs/dbraw/zinc/81/03/27/348810327.db2.gz FHHCARSGWINXAB-UHFFFAOYSA-N 2 2 273.340 0.560 20 0 CCADLP NC(=O)C[N@H+]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000068453353 348810328 /nfs/dbraw/zinc/81/03/28/348810328.db2.gz FHHCARSGWINXAB-UHFFFAOYSA-N 2 2 273.340 0.560 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCCS(=O)(=O)C2)n1C ZINC000070144290 348873140 /nfs/dbraw/zinc/87/31/40/348873140.db2.gz OUTQIPAPJYOTTC-JTQLQIEISA-N 2 2 286.401 0.153 20 0 CCADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)NC(=O)NC1CCCC1 ZINC000070149552 348873579 /nfs/dbraw/zinc/87/35/79/348873579.db2.gz LMJJDSGWZWSCOL-ZDUSSCGKSA-N 2 2 296.415 0.958 20 0 CCADLP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)NC(=O)NC1CCCC1 ZINC000070149552 348873582 /nfs/dbraw/zinc/87/35/82/348873582.db2.gz LMJJDSGWZWSCOL-ZDUSSCGKSA-N 2 2 296.415 0.958 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070174675 348876971 /nfs/dbraw/zinc/87/69/71/348876971.db2.gz ILRJEECNYJPOJN-MNOVXSKESA-N 2 2 270.377 0.281 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070174675 348876974 /nfs/dbraw/zinc/87/69/74/348876974.db2.gz ILRJEECNYJPOJN-MNOVXSKESA-N 2 2 270.377 0.281 20 0 CCADLP NC(=[NH2+])NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000071631980 348909746 /nfs/dbraw/zinc/90/97/46/348909746.db2.gz PNXSOAKHFJGZFO-UHFFFAOYSA-N 2 2 281.791 0.945 20 0 CCADLP CCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000073364537 348949994 /nfs/dbraw/zinc/94/99/94/348949994.db2.gz LHHSMHHZXLWZEP-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP CCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000073364537 348949998 /nfs/dbraw/zinc/94/99/98/348949998.db2.gz LHHSMHHZXLWZEP-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(O)(CC)CC2)CC1 ZINC000075859434 349054224 /nfs/dbraw/zinc/05/42/24/349054224.db2.gz ICHCJMONSQKJHZ-AWEZNQCLSA-N 2 2 297.443 0.776 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC2CC2)[C@H](C)C1 ZINC000081096018 349246054 /nfs/dbraw/zinc/24/60/54/349246054.db2.gz DTOBYNHETAFRKY-YPMHNXCESA-N 2 2 253.390 0.927 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC2CC2)[C@H](C)C1 ZINC000081096018 349246056 /nfs/dbraw/zinc/24/60/56/349246056.db2.gz DTOBYNHETAFRKY-YPMHNXCESA-N 2 2 253.390 0.927 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC2CC2)[C@H](C)C1 ZINC000081096018 349246059 /nfs/dbraw/zinc/24/60/59/349246059.db2.gz DTOBYNHETAFRKY-YPMHNXCESA-N 2 2 253.390 0.927 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC2CC2)[C@H](C)C1 ZINC000081096018 349246061 /nfs/dbraw/zinc/24/60/61/349246061.db2.gz DTOBYNHETAFRKY-YPMHNXCESA-N 2 2 253.390 0.927 20 0 CCADLP CC[NH+](CC)CC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000081798945 349283498 /nfs/dbraw/zinc/28/34/98/349283498.db2.gz GGOTZYUZILYYHW-LBPRGKRZSA-N 2 2 252.362 0.977 20 0 CCADLP OCC1(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)COC1 ZINC000089129221 349375930 /nfs/dbraw/zinc/37/59/30/349375930.db2.gz PSFKIHONPBAJOV-LLVKDONJSA-N 2 2 251.330 0.598 20 0 CCADLP OCC1(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)COC1 ZINC000089129221 349375933 /nfs/dbraw/zinc/37/59/33/349375933.db2.gz PSFKIHONPBAJOV-LLVKDONJSA-N 2 2 251.330 0.598 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2ccsc2)[C@@H](C[NH3+])C1 ZINC000120767712 350005185 /nfs/dbraw/zinc/00/51/85/350005185.db2.gz FYFNPDSYSPXBNF-NSHDSACASA-N 2 2 253.371 0.392 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2ccsc2)[C@@H](C[NH3+])C1 ZINC000120767712 350005188 /nfs/dbraw/zinc/00/51/88/350005188.db2.gz FYFNPDSYSPXBNF-NSHDSACASA-N 2 2 253.371 0.392 20 0 CCADLP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926760 349412882 /nfs/dbraw/zinc/41/28/82/349412882.db2.gz LNYKVHKRHFNKQH-STQMWFEESA-N 2 2 293.415 0.845 20 0 CCADLP CC(C)N(C)C(=O)[C@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926651 349413042 /nfs/dbraw/zinc/41/30/42/349413042.db2.gz XVITUQTURJHQAE-ZDUSSCGKSA-N 2 2 293.415 0.797 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)N1CCOCC1 ZINC000123719540 350081443 /nfs/dbraw/zinc/08/14/43/350081443.db2.gz GODYLRKTAKKNHQ-LBPRGKRZSA-N 2 2 257.378 0.150 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)N1CCOCC1 ZINC000123719540 350081446 /nfs/dbraw/zinc/08/14/46/350081446.db2.gz GODYLRKTAKKNHQ-LBPRGKRZSA-N 2 2 257.378 0.150 20 0 CCADLP COCCCNC(=O)C[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000125020832 350113065 /nfs/dbraw/zinc/11/30/65/350113065.db2.gz GEHRHLPBUJPFRL-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP COCCCNC(=O)C[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000125020832 350113068 /nfs/dbraw/zinc/11/30/68/350113068.db2.gz GEHRHLPBUJPFRL-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP COCCCNC(=O)C[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000125020832 350113072 /nfs/dbraw/zinc/11/30/72/350113072.db2.gz GEHRHLPBUJPFRL-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP COCCCNC(=O)C[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000125020832 350113074 /nfs/dbraw/zinc/11/30/74/350113074.db2.gz GEHRHLPBUJPFRL-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP Cc1cnc([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)s1 ZINC000124319167 350095805 /nfs/dbraw/zinc/09/58/05/350095805.db2.gz GLLUZILWIYXXAO-NSHDSACASA-N 2 2 282.413 0.876 20 0 CCADLP COc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000124353779 350096129 /nfs/dbraw/zinc/09/61/29/350096129.db2.gz NHZWEZAMIKXSIN-GFCCVEGCSA-N 2 2 278.356 0.802 20 0 CCADLP COc1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000124353779 350096130 /nfs/dbraw/zinc/09/61/30/350096130.db2.gz NHZWEZAMIKXSIN-GFCCVEGCSA-N 2 2 278.356 0.802 20 0 CCADLP CC[C@H](C(=O)N1CC[NH+](CCOC(C)C)CC1)[NH+](C)C ZINC000125406285 350121088 /nfs/dbraw/zinc/12/10/88/350121088.db2.gz IOQXKYHKUQIPPH-CQSZACIVSA-N 2 2 285.432 0.896 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)c2csc(C[NH3+])n2)CC1 ZINC000090930287 180064014 /nfs/dbraw/zinc/06/40/14/180064014.db2.gz CRVGJWUUFFVXDY-UHFFFAOYSA-N 2 2 268.386 0.768 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC[C@@H]2CCCO2)[C@H](C)C1 ZINC000125767028 350129718 /nfs/dbraw/zinc/12/97/18/350129718.db2.gz UGOGBDQIEWNFAP-ILXRZTDVSA-N 2 2 297.443 0.944 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC[C@@H]2CCCO2)[C@H](C)C1 ZINC000125767028 350129723 /nfs/dbraw/zinc/12/97/23/350129723.db2.gz UGOGBDQIEWNFAP-ILXRZTDVSA-N 2 2 297.443 0.944 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC[C@@H]2CCCO2)[C@H](C)C1 ZINC000125767028 350129729 /nfs/dbraw/zinc/12/97/29/350129729.db2.gz UGOGBDQIEWNFAP-ILXRZTDVSA-N 2 2 297.443 0.944 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC[C@@H]2CCCO2)[C@H](C)C1 ZINC000125767028 350129732 /nfs/dbraw/zinc/12/97/32/350129732.db2.gz UGOGBDQIEWNFAP-ILXRZTDVSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H](CNC(=O)NCCn1cc[nH+]c1)[N@H+](C)C1CC1 ZINC000105062099 186039605 /nfs/dbraw/zinc/03/96/05/186039605.db2.gz RUYYCBPWXZCELR-NSHDSACASA-N 2 2 265.361 0.665 20 0 CCADLP C[C@@H](CNC(=O)NCCn1cc[nH+]c1)[N@@H+](C)C1CC1 ZINC000105062099 186039607 /nfs/dbraw/zinc/03/96/07/186039607.db2.gz RUYYCBPWXZCELR-NSHDSACASA-N 2 2 265.361 0.665 20 0 CCADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NC(=O)NC1CCCCC1 ZINC000129064946 350204625 /nfs/dbraw/zinc/20/46/25/350204625.db2.gz ADKWVIKBLVOSSV-RYUDHWBXSA-N 2 2 296.415 0.957 20 0 CCADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NC(=O)NC1CCCCC1 ZINC000129064946 350204627 /nfs/dbraw/zinc/20/46/27/350204627.db2.gz ADKWVIKBLVOSSV-RYUDHWBXSA-N 2 2 296.415 0.957 20 0 CCADLP C(C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)OC[C@H]1CCCO1 ZINC000129414658 350214236 /nfs/dbraw/zinc/21/42/36/350214236.db2.gz GXIQXRDYCDXBGN-JKSUJKDBSA-N 2 2 298.427 0.836 20 0 CCADLP C(C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)OC[C@H]1CCCO1 ZINC000129414658 350214239 /nfs/dbraw/zinc/21/42/39/350214239.db2.gz GXIQXRDYCDXBGN-JKSUJKDBSA-N 2 2 298.427 0.836 20 0 CCADLP CC(C)(CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000091545983 180186861 /nfs/dbraw/zinc/18/68/61/180186861.db2.gz HKLPNVBSYVGCPN-NEPJUHHUSA-N 2 2 269.389 0.341 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cnc2cnccn12 ZINC000131415332 350274955 /nfs/dbraw/zinc/27/49/55/350274955.db2.gz SSLUKQJKNQOPNL-CYBMUJFWSA-N 2 2 263.345 0.132 20 0 CCADLP OCCCCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000131584745 350279802 /nfs/dbraw/zinc/27/98/02/350279802.db2.gz RNPUYSQZGMWUDP-AWEZNQCLSA-N 2 2 256.390 0.803 20 0 CCADLP OCCCCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000131584745 350279807 /nfs/dbraw/zinc/27/98/07/350279807.db2.gz RNPUYSQZGMWUDP-AWEZNQCLSA-N 2 2 256.390 0.803 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)Cn1cccn1 ZINC000133783396 350344919 /nfs/dbraw/zinc/34/49/19/350344919.db2.gz LTEXPGUZDGDAQR-AGIUHOORSA-N 2 2 252.362 0.628 20 0 CCADLP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCCCn2cc[nH+]c2)C1(C)C ZINC000133895364 350348454 /nfs/dbraw/zinc/34/84/54/350348454.db2.gz LXBJFKKHKJBZHN-SWLSCSKDSA-N 2 2 294.399 0.922 20 0 CCADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@@H](C)Cn2cc[nH+]c2)C1(C)C ZINC000134053300 350352358 /nfs/dbraw/zinc/35/23/58/350352358.db2.gz BYCPKSXIKJZATQ-ZOWXZIJZSA-N 2 2 294.399 0.920 20 0 CCADLP CC[C@@]1(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CCC[NH2+]1 ZINC000134560576 350369307 /nfs/dbraw/zinc/36/93/07/350369307.db2.gz QJSNRAKIDQCVBF-HOCLYGCPSA-N 2 2 297.443 0.992 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)C(=O)NC3CC3)C2)CC1 ZINC000107371059 186171400 /nfs/dbraw/zinc/17/14/00/186171400.db2.gz KPEUZDMIOMUMEC-DZGCQCFKSA-N 2 2 294.443 0.365 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)C(=O)NC3CC3)C2)CC1 ZINC000107371059 186171402 /nfs/dbraw/zinc/17/14/02/186171402.db2.gz KPEUZDMIOMUMEC-DZGCQCFKSA-N 2 2 294.443 0.365 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3nccn3C)C2)CC1 ZINC000107370947 186171969 /nfs/dbraw/zinc/17/19/69/186171969.db2.gz AVUHMXMSHRDRHT-CQSZACIVSA-N 2 2 277.416 0.632 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3nccn3C)C2)CC1 ZINC000107370947 186171971 /nfs/dbraw/zinc/17/19/71/186171971.db2.gz AVUHMXMSHRDRHT-CQSZACIVSA-N 2 2 277.416 0.632 20 0 CCADLP CC[C@H]1CCCCN1C(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107575990 186179674 /nfs/dbraw/zinc/17/96/74/186179674.db2.gz XNDWDCYMROXTAC-MJBXVCDLSA-N 2 2 265.401 0.929 20 0 CCADLP CC[C@H]1CCCCN1C(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107575990 186179676 /nfs/dbraw/zinc/17/96/76/186179676.db2.gz XNDWDCYMROXTAC-MJBXVCDLSA-N 2 2 265.401 0.929 20 0 CCADLP CNC(=O)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000153967076 350569112 /nfs/dbraw/zinc/56/91/12/350569112.db2.gz SSAYBIKDGLREPM-OKILXGFUSA-N 2 2 282.432 0.223 20 0 CCADLP CNC(=O)C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000153967076 350569115 /nfs/dbraw/zinc/56/91/15/350569115.db2.gz SSAYBIKDGLREPM-OKILXGFUSA-N 2 2 282.432 0.223 20 0 CCADLP CCC(CC)[C@H](C(=O)N1CC[NH2+][C@@H](C)C1)[NH+]1CCOCC1 ZINC000155152698 350611021 /nfs/dbraw/zinc/61/10/21/350611021.db2.gz QYBKGRWEZMBQPB-DZGCQCFKSA-N 2 2 297.443 0.944 20 0 CCADLP CN(CC[C@@H]1CCC[N@@H+]1C)CC[NH+]1CCOCC1 ZINC000161821982 350730008 /nfs/dbraw/zinc/73/00/08/350730008.db2.gz AVPIRJJANNHSFE-AWEZNQCLSA-N 2 2 255.406 0.735 20 0 CCADLP CN(CC[C@@H]1CCC[N@H+]1C)CC[NH+]1CCOCC1 ZINC000161821982 350730009 /nfs/dbraw/zinc/73/00/09/350730009.db2.gz AVPIRJJANNHSFE-AWEZNQCLSA-N 2 2 255.406 0.735 20 0 CCADLP O=C(NCCCNc1cccc[nH+]1)[C@H]1CSC[NH2+]1 ZINC000165235944 350788713 /nfs/dbraw/zinc/78/87/13/350788713.db2.gz VUFFZTVZQYBAMS-SNVBAGLBSA-N 2 2 266.370 0.662 20 0 CCADLP O[C@H](Cn1cccn1)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000171933548 350944801 /nfs/dbraw/zinc/94/48/01/350944801.db2.gz JLEWRRQZSDTKPA-AWEZNQCLSA-N 2 2 275.356 0.778 20 0 CCADLP CCCCNC(=O)[C@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000173644100 351049001 /nfs/dbraw/zinc/04/90/01/351049001.db2.gz IHAKODMDJVXWKP-ZDUSSCGKSA-N 2 2 285.432 0.992 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000174475567 351087551 /nfs/dbraw/zinc/08/75/51/351087551.db2.gz TUOPXJSRVVCYSK-CQSZACIVSA-N 2 2 283.416 0.650 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000174475567 351087554 /nfs/dbraw/zinc/08/75/54/351087554.db2.gz TUOPXJSRVVCYSK-CQSZACIVSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+](CC)CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000174562760 351091902 /nfs/dbraw/zinc/09/19/02/351091902.db2.gz ZFSGTEPYIBUDDQ-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP CC[NH+](CC)CC(=O)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC000177048368 351192243 /nfs/dbraw/zinc/19/22/43/351192243.db2.gz UVTWISAPPZJDBQ-UHFFFAOYSA-N 2 2 293.415 0.406 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000176552240 351178891 /nfs/dbraw/zinc/17/88/91/351178891.db2.gz CPYGCIWFMMSBFR-RDBSUJKOSA-N 2 2 281.400 0.402 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000176552240 351178896 /nfs/dbraw/zinc/17/88/96/351178896.db2.gz CPYGCIWFMMSBFR-RDBSUJKOSA-N 2 2 281.400 0.402 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000176552240 351178899 /nfs/dbraw/zinc/17/88/99/351178899.db2.gz CPYGCIWFMMSBFR-RDBSUJKOSA-N 2 2 281.400 0.402 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000176552240 351178904 /nfs/dbraw/zinc/17/89/04/351178904.db2.gz CPYGCIWFMMSBFR-RDBSUJKOSA-N 2 2 281.400 0.402 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2CCCOC2)CC1 ZINC000175741799 351141142 /nfs/dbraw/zinc/14/11/42/351141142.db2.gz FVQAHMHARXUKEF-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000178670862 351239310 /nfs/dbraw/zinc/23/93/10/351239310.db2.gz ZJGLUTZHJPASII-ILXRZTDVSA-N 3 2 296.459 0.469 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000178670862 351239312 /nfs/dbraw/zinc/23/93/12/351239312.db2.gz ZJGLUTZHJPASII-ILXRZTDVSA-N 3 2 296.459 0.469 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000178763677 351244852 /nfs/dbraw/zinc/24/48/52/351244852.db2.gz DRTVIQLVHCIEMU-NSHDSACASA-N 2 2 257.378 0.069 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000178763677 351244855 /nfs/dbraw/zinc/24/48/55/351244855.db2.gz DRTVIQLVHCIEMU-NSHDSACASA-N 2 2 257.378 0.069 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000178860678 351249500 /nfs/dbraw/zinc/24/95/00/351249500.db2.gz ZKHNFNCNIZLMJO-RDBSUJKOSA-N 2 2 281.400 0.308 20 0 CCADLP O=C1C[C@@H]([NH2+]C2CCCCC2)CN1CC[NH+]1CCOCC1 ZINC000178906018 351252222 /nfs/dbraw/zinc/25/22/22/351252222.db2.gz CDEQZMNIMFRDOI-OAHLLOKOSA-N 2 2 295.427 0.842 20 0 CCADLP CC[C@H](C)C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000180238488 351282099 /nfs/dbraw/zinc/28/20/99/351282099.db2.gz OUNOVZBBYDKDQP-KBPBESRZSA-N 2 2 283.416 0.555 20 0 CCADLP Cn1nc2c(cc1=O)C[N@@H+](Cc1cccc3[nH+]ccn31)CC2 ZINC000180528795 351287475 /nfs/dbraw/zinc/28/74/75/351287475.db2.gz FKDWRQITXGVUJZ-UHFFFAOYSA-N 2 2 295.346 0.986 20 0 CCADLP Cn1nc2c(cc1=O)C[N@H+](Cc1cccc3[nH+]ccn31)CC2 ZINC000180528795 351287480 /nfs/dbraw/zinc/28/74/80/351287480.db2.gz FKDWRQITXGVUJZ-UHFFFAOYSA-N 2 2 295.346 0.986 20 0 CCADLP O=C1C[C@@H]([NH2+][C@H]2CCSC2)CN1CC[NH+]1CCOCC1 ZINC000181034916 351300140 /nfs/dbraw/zinc/30/01/40/351300140.db2.gz VVIQSVVQYRPUDH-QWHCGFSZSA-N 2 2 299.440 0.015 20 0 CCADLP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000339829058 215354010 /nfs/dbraw/zinc/35/40/10/215354010.db2.gz XIQXSZBCAFZUNU-OLZOCXBDSA-N 2 2 271.405 0.554 20 0 CCADLP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N)C[C@H]1[NH+]1CCOCC1 ZINC000188269376 351584262 /nfs/dbraw/zinc/58/42/62/351584262.db2.gz SJEUWSFURHFYFV-BXUZGUMPSA-N 2 2 290.367 0.457 20 0 CCADLP CSC[C@@H](O)C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000188885650 351636302 /nfs/dbraw/zinc/63/63/02/351636302.db2.gz QMNCOVATBAASPA-LBPRGKRZSA-N 2 2 282.413 0.631 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[C@H]([NH+]3CCCC3)C2)CCO1 ZINC000191473057 351760193 /nfs/dbraw/zinc/76/01/93/351760193.db2.gz FLLAAEBHUCTXRA-CABCVRRESA-N 2 2 267.417 0.877 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[C@H]([NH+]3CCCC3)C2)CCO1 ZINC000191473057 351760194 /nfs/dbraw/zinc/76/01/94/351760194.db2.gz FLLAAEBHUCTXRA-CABCVRRESA-N 2 2 267.417 0.877 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CCO1 ZINC000191511415 351762665 /nfs/dbraw/zinc/76/26/65/351762665.db2.gz JAHGPYOGHXUHDW-CVEARBPZSA-N 2 2 297.443 0.361 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CCO1 ZINC000191511415 351762667 /nfs/dbraw/zinc/76/26/67/351762667.db2.gz JAHGPYOGHXUHDW-CVEARBPZSA-N 2 2 297.443 0.361 20 0 CCADLP C[C@@H]1C[NH+](C/C=C/C[N@@H+]2CCO[C@@H](C)C2)CCO1 ZINC000194027270 351852083 /nfs/dbraw/zinc/85/20/83/351852083.db2.gz XBHHNCYVHWZQOA-ISANGGDFSA-N 2 2 254.374 0.984 20 0 CCADLP C[C@@H]1C[NH+](C/C=C/C[N@H+]2CCO[C@@H](C)C2)CCO1 ZINC000194027270 351852085 /nfs/dbraw/zinc/85/20/85/351852085.db2.gz XBHHNCYVHWZQOA-ISANGGDFSA-N 2 2 254.374 0.984 20 0 CCADLP C[C@@H]1C[N@H+](C/C=C/C[NH+]2CCO[C@@H](C)C2)CCO1 ZINC000194027270 351852087 /nfs/dbraw/zinc/85/20/87/351852087.db2.gz XBHHNCYVHWZQOA-ISANGGDFSA-N 2 2 254.374 0.984 20 0 CCADLP C[C@@H]1C[N@@H+](C/C=C/C[NH+]2CCO[C@@H](C)C2)CCO1 ZINC000194027270 351852089 /nfs/dbraw/zinc/85/20/89/351852089.db2.gz XBHHNCYVHWZQOA-ISANGGDFSA-N 2 2 254.374 0.984 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000124295217 187130634 /nfs/dbraw/zinc/13/06/34/187130634.db2.gz VEWBSNVZTNUALI-UHFFFAOYSA-N 2 2 267.333 0.051 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124295217 187130635 /nfs/dbraw/zinc/13/06/35/187130635.db2.gz VEWBSNVZTNUALI-UHFFFAOYSA-N 2 2 267.333 0.051 20 0 CCADLP CC[NH+]1CCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000123763581 187107980 /nfs/dbraw/zinc/10/79/80/187107980.db2.gz HZBZWNXLBQAPTE-UHFFFAOYSA-N 2 2 265.361 0.620 20 0 CCADLP CCC(CC)[C@H](C(=O)N[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000123934817 187114914 /nfs/dbraw/zinc/11/49/14/187114914.db2.gz CSAMYIROAKPPRC-LSDHHAIUSA-N 2 2 297.443 0.992 20 0 CCADLP COc1cc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc2c1OCO2 ZINC000131360268 187560570 /nfs/dbraw/zinc/56/05/70/187560570.db2.gz WYRLUOQKEGRIJK-HNNXBMFYSA-N 2 2 296.367 0.826 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000227363010 352047373 /nfs/dbraw/zinc/04/73/73/352047373.db2.gz VEPJLAUMNNFPPN-LBPRGKRZSA-N 2 2 283.397 0.366 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000227374433 352048306 /nfs/dbraw/zinc/04/83/06/352048306.db2.gz XIJWDNDETZXYQW-ZDUSSCGKSA-N 2 2 276.340 0.435 20 0 CCADLP Cc1ccc([C@H]([NH3+])C(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000228092143 352068677 /nfs/dbraw/zinc/06/86/77/352068677.db2.gz XFIUJSSUINZONO-ZFWWWQNUSA-N 2 2 291.395 0.832 20 0 CCADLP C[C@H](CO)CCC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000228277211 352071999 /nfs/dbraw/zinc/07/19/99/352071999.db2.gz XVEBQHCIAXBQDQ-NSHDSACASA-N 2 2 254.378 0.984 20 0 CCADLP Cc1ccc([C@H]([NH3+])C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000230797776 352120373 /nfs/dbraw/zinc/12/03/73/352120373.db2.gz YMNXULRHNKHZNK-AWEZNQCLSA-N 2 2 277.368 0.131 20 0 CCADLP COc1ccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc1O ZINC000228723047 352083110 /nfs/dbraw/zinc/08/31/10/352083110.db2.gz KJZFLHPYNHRZHS-AWEZNQCLSA-N 2 2 268.357 0.803 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCOCC(F)F ZINC000235485195 352184636 /nfs/dbraw/zinc/18/46/36/352184636.db2.gz VRQCLRZTGCGZIB-NXEZZACHSA-N 2 2 252.305 0.625 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@](C)(O)CO ZINC000684536403 545698466 /nfs/dbraw/zinc/69/84/66/545698466.db2.gz DBPKPPAHRICCDL-BMFZPTHFSA-N 2 2 278.396 0.840 20 0 CCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cncn1C ZINC000237030112 352237970 /nfs/dbraw/zinc/23/79/70/352237970.db2.gz NYHGVXNGAJGXTQ-CQSZACIVSA-N 2 2 293.415 0.452 20 0 CCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cncn1C ZINC000237030112 352237974 /nfs/dbraw/zinc/23/79/74/352237974.db2.gz NYHGVXNGAJGXTQ-CQSZACIVSA-N 2 2 293.415 0.452 20 0 CCADLP CCC[C@H]([NH3+])C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000236839343 352221017 /nfs/dbraw/zinc/22/10/17/352221017.db2.gz JTIKRYIAIHZZRU-VIFPVBQESA-N 2 2 283.376 0.610 20 0 CCADLP CCC[C@@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000236907375 352227243 /nfs/dbraw/zinc/22/72/43/352227243.db2.gz RETCOUCPNBTKOW-QWHCGFSZSA-N 2 2 269.389 0.437 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000236912413 352227787 /nfs/dbraw/zinc/22/77/87/352227787.db2.gz UESAJXUWZZFFPP-RNJOBUHISA-N 2 2 271.405 0.585 20 0 CCADLP COC(=O)c1cnc(C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)cn1 ZINC000603434956 363132251 /nfs/dbraw/zinc/13/22/51/363132251.db2.gz VMEOXKWVUOUISK-MNOVXSKESA-N 2 2 264.329 0.479 20 0 CCADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@](C)(O)CO ZINC000684536403 545698464 /nfs/dbraw/zinc/69/84/64/545698464.db2.gz DBPKPPAHRICCDL-BMFZPTHFSA-N 2 2 278.396 0.840 20 0 CCADLP C[C@H](CNC(=O)C[NH2+]C[C@@H]1CCCO1)Cn1cc[nH+]c1 ZINC000237406604 352264129 /nfs/dbraw/zinc/26/41/29/352264129.db2.gz KBLUTPJKDFWVNF-OLZOCXBDSA-N 2 2 280.372 0.404 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000237458342 352265733 /nfs/dbraw/zinc/26/57/33/352265733.db2.gz ZATLJXYXQUJQBR-UMSGYPCISA-N 2 2 269.389 0.339 20 0 CCADLP C[C@@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCOCC1 ZINC000237532246 352269523 /nfs/dbraw/zinc/26/95/23/352269523.db2.gz WSMYGORTMBDICE-AVOUXACISA-N 2 2 295.427 0.744 20 0 CCADLP CCOC(=O)[C@@H](C)[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000245914205 352341467 /nfs/dbraw/zinc/34/14/67/352341467.db2.gz KGNBRZSELYRQAB-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CCOC(=O)[C@@H](C)[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000245914205 352341471 /nfs/dbraw/zinc/34/14/71/352341471.db2.gz KGNBRZSELYRQAB-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000245908892 352341491 /nfs/dbraw/zinc/34/14/91/352341491.db2.gz OGDWOPIIKFUPIJ-OLZOCXBDSA-N 2 2 271.405 0.552 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000245908892 352341495 /nfs/dbraw/zinc/34/14/95/352341495.db2.gz OGDWOPIIKFUPIJ-OLZOCXBDSA-N 2 2 271.405 0.552 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247793598 352425951 /nfs/dbraw/zinc/42/59/51/352425951.db2.gz ZIZGVXHJUGMEQH-NEPJUHHUSA-N 2 2 293.371 0.612 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247793598 352425955 /nfs/dbraw/zinc/42/59/55/352425955.db2.gz ZIZGVXHJUGMEQH-NEPJUHHUSA-N 2 2 293.371 0.612 20 0 CCADLP CSC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000249428128 352490867 /nfs/dbraw/zinc/49/08/67/352490867.db2.gz GHSUWCXCTDWYCJ-KBPBESRZSA-N 2 2 288.457 0.755 20 0 CCADLP CSC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000249428128 352490869 /nfs/dbraw/zinc/49/08/69/352490869.db2.gz GHSUWCXCTDWYCJ-KBPBESRZSA-N 2 2 288.457 0.755 20 0 CCADLP C[N@@H+]1CCN(C(=O)CC[C@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000250402175 352505470 /nfs/dbraw/zinc/50/54/70/352505470.db2.gz SWOWPARCLSFDMW-VXGBXAGGSA-N 2 2 255.362 0.047 20 0 CCADLP C[N@H+]1CCN(C(=O)CC[C@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000250402175 352505475 /nfs/dbraw/zinc/50/54/75/352505475.db2.gz SWOWPARCLSFDMW-VXGBXAGGSA-N 2 2 255.362 0.047 20 0 CCADLP C[C@H](CN1CCOCC1)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000252713031 352523569 /nfs/dbraw/zinc/52/35/69/352523569.db2.gz OCGVDRHZYAGFEF-RDBSUJKOSA-N 2 2 267.417 0.922 20 0 CCADLP C[C@H](CN1CCOCC1)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000252713031 352523571 /nfs/dbraw/zinc/52/35/71/352523571.db2.gz OCGVDRHZYAGFEF-RDBSUJKOSA-N 2 2 267.417 0.922 20 0 CCADLP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261584745 352561862 /nfs/dbraw/zinc/56/18/62/352561862.db2.gz SOSWRKUSHODUQZ-CYDGBPFRSA-N 2 2 253.390 0.831 20 0 CCADLP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261584745 352561863 /nfs/dbraw/zinc/56/18/63/352561863.db2.gz SOSWRKUSHODUQZ-CYDGBPFRSA-N 2 2 253.390 0.831 20 0 CCADLP COC(=O)c1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c[nH]1 ZINC000261961722 352568370 /nfs/dbraw/zinc/56/83/70/352568370.db2.gz HJGSZQDYIWZHHI-CQSZACIVSA-N 2 2 263.341 0.987 20 0 CCADLP COC(=O)c1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c[nH]1 ZINC000261961722 352568372 /nfs/dbraw/zinc/56/83/72/352568372.db2.gz HJGSZQDYIWZHHI-CQSZACIVSA-N 2 2 263.341 0.987 20 0 CCADLP COC(=O)c1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)[nH]1 ZINC000262053735 352574021 /nfs/dbraw/zinc/57/40/21/352574021.db2.gz QLXOWDMDAVKZEA-AWEZNQCLSA-N 2 2 263.341 0.987 20 0 CCADLP COC(=O)c1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)[nH]1 ZINC000262053735 352574025 /nfs/dbraw/zinc/57/40/25/352574025.db2.gz QLXOWDMDAVKZEA-AWEZNQCLSA-N 2 2 263.341 0.987 20 0 CCADLP C[N@H+](CCC(=O)N1CC[NH2+]CC1)Cc1nccs1 ZINC000262077950 352575552 /nfs/dbraw/zinc/57/55/52/352575552.db2.gz KKLNZLNNUBKPID-UHFFFAOYSA-N 2 2 268.386 0.397 20 0 CCADLP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)Cc1nccs1 ZINC000262077950 352575555 /nfs/dbraw/zinc/57/55/55/352575555.db2.gz KKLNZLNNUBKPID-UHFFFAOYSA-N 2 2 268.386 0.397 20 0 CCADLP CC[C@@H](C)NC(=O)CN1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262083945 352576727 /nfs/dbraw/zinc/57/67/27/352576727.db2.gz UBBYFARQPOTYBR-ZBFHGGJFSA-N 2 2 296.459 0.518 20 0 CCADLP CC[C@@H](C)NC(=O)C[NH+]1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262083945 352576731 /nfs/dbraw/zinc/57/67/31/352576731.db2.gz UBBYFARQPOTYBR-ZBFHGGJFSA-N 2 2 296.459 0.518 20 0 CCADLP COCc1nc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cs1 ZINC000262101054 352577844 /nfs/dbraw/zinc/57/78/44/352577844.db2.gz IUBBNYALQFQLDG-ZDUSSCGKSA-N 2 2 296.440 0.769 20 0 CCADLP COCc1nc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cs1 ZINC000262101054 352577846 /nfs/dbraw/zinc/57/78/46/352577846.db2.gz IUBBNYALQFQLDG-ZDUSSCGKSA-N 2 2 296.440 0.769 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCC1([NH3+])CCC1 ZINC000418504459 234141814 /nfs/dbraw/zinc/14/18/14/234141814.db2.gz AHRYHQASERCELW-GFCCVEGCSA-N 2 2 284.404 0.230 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC000265254777 352628626 /nfs/dbraw/zinc/62/86/26/352628626.db2.gz BURXNNPITXZZAK-CYBMUJFWSA-N 2 2 280.372 0.452 20 0 CCADLP COCC[N@H+]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC000265254777 352628635 /nfs/dbraw/zinc/62/86/35/352628635.db2.gz BURXNNPITXZZAK-CYBMUJFWSA-N 2 2 280.372 0.452 20 0 CCADLP CCN(C)C(=O)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604388762 363192490 /nfs/dbraw/zinc/19/24/90/363192490.db2.gz NSDAKGOJKDNGQC-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP CCN(C)C(=O)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604388762 363192492 /nfs/dbraw/zinc/19/24/92/363192492.db2.gz NSDAKGOJKDNGQC-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000266873319 352728734 /nfs/dbraw/zinc/72/87/34/352728734.db2.gz YLBOKHXWCPCGIZ-WCQYABFASA-N 2 2 280.372 0.274 20 0 CCADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000266873319 352728737 /nfs/dbraw/zinc/72/87/37/352728737.db2.gz YLBOKHXWCPCGIZ-WCQYABFASA-N 2 2 280.372 0.274 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)Cn1cc[nH+]c1 ZINC000267084158 352743396 /nfs/dbraw/zinc/74/33/96/352743396.db2.gz JMFFHBWTMAHINJ-NWDGAFQWSA-N 2 2 250.346 0.730 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)Cn1cc[nH+]c1 ZINC000267084158 352743397 /nfs/dbraw/zinc/74/33/97/352743397.db2.gz JMFFHBWTMAHINJ-NWDGAFQWSA-N 2 2 250.346 0.730 20 0 CCADLP CN(CC[NH+](C)C)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000267103653 352743976 /nfs/dbraw/zinc/74/39/76/352743976.db2.gz LNDLUYGWEFFZOZ-UHFFFAOYSA-N 2 2 273.340 0.901 20 0 CCADLP C[C@H](CNC(=O)[C@@H](C)N1CC[NH+](C)CC1)Cn1cc[nH+]c1 ZINC000267183852 352749871 /nfs/dbraw/zinc/74/98/71/352749871.db2.gz WBADHJVADGUDHK-ZIAGYGMSSA-N 2 2 293.415 0.271 20 0 CCADLP NC(=O)NC(=O)CCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267435132 352767174 /nfs/dbraw/zinc/76/71/74/352767174.db2.gz NSHVFWZVCKTDAG-SNVBAGLBSA-N 2 2 279.344 0.564 20 0 CCADLP NC(=O)NC(=O)CCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267435132 352767180 /nfs/dbraw/zinc/76/71/80/352767180.db2.gz NSHVFWZVCKTDAG-SNVBAGLBSA-N 2 2 279.344 0.564 20 0 CCADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@H](C)[C@H](C)[NH3+])CC1 ZINC000418736046 234219405 /nfs/dbraw/zinc/21/94/05/234219405.db2.gz XVDMUDJKXABJRN-QWHCGFSZSA-N 2 2 291.399 0.957 20 0 CCADLP C[N@@H+]1CC[C@H]2CCN(C(=O)NCCn3cc[nH+]c3)[C@@H]2C1 ZINC000272157247 353039514 /nfs/dbraw/zinc/03/95/14/353039514.db2.gz CZQBSMDTJPUOKK-QWHCGFSZSA-N 2 2 277.372 0.619 20 0 CCADLP C[N@H+]1CC[C@H]2CCN(C(=O)NCCn3cc[nH+]c3)[C@@H]2C1 ZINC000272157247 353039515 /nfs/dbraw/zinc/03/95/15/353039515.db2.gz CZQBSMDTJPUOKK-QWHCGFSZSA-N 2 2 277.372 0.619 20 0 CCADLP CC(C)([NH3+])C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000261754915 535198018 /nfs/dbraw/zinc/19/80/18/535198018.db2.gz MAWXISDRAZWVRR-ZDUSSCGKSA-N 2 2 255.406 0.768 20 0 CCADLP CC(C)([NH3+])C[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000261754915 535198021 /nfs/dbraw/zinc/19/80/21/535198021.db2.gz MAWXISDRAZWVRR-ZDUSSCGKSA-N 2 2 255.406 0.768 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655442267 412571344 /nfs/dbraw/zinc/57/13/44/412571344.db2.gz IIKBAWKWXIEHAT-JSGCOSHPSA-N 2 2 262.357 0.779 20 0 CCADLP COC[C@@]1(C(=O)OC)CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000295168273 199384684 /nfs/dbraw/zinc/38/46/84/199384684.db2.gz OADLNZPXIUHSCS-CQSZACIVSA-N 2 2 281.356 0.785 20 0 CCADLP COC[C@@]1(C(=O)OC)CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000295168273 199384685 /nfs/dbraw/zinc/38/46/85/199384685.db2.gz OADLNZPXIUHSCS-CQSZACIVSA-N 2 2 281.356 0.785 20 0 CCADLP C[C@H]([NH3+])CCC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000277443737 353243281 /nfs/dbraw/zinc/24/32/81/353243281.db2.gz FLASTXTZDATYTA-JTQLQIEISA-N 2 2 250.346 0.891 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000278171051 353285268 /nfs/dbraw/zinc/28/52/68/353285268.db2.gz CMLWIDNMONTUKE-LBPRGKRZSA-N 2 2 276.340 0.623 20 0 CCADLP Cn1ncc2c1nc(NCCC[NH+]1CCOCC1)[nH+]c2N ZINC000278201896 353287707 /nfs/dbraw/zinc/28/77/07/353287707.db2.gz FBMNWZXLWCOHHN-UHFFFAOYSA-N 2 2 291.359 0.080 20 0 CCADLP C[C@@H]1CC[N@H+](CCC(=O)NC(N)=O)C[C@@H]1n1cc[nH+]c1 ZINC000156570502 188270174 /nfs/dbraw/zinc/27/01/74/188270174.db2.gz SAEZOSKDKBKSID-MNOVXSKESA-N 2 2 279.344 0.351 20 0 CCADLP C[C@@H]1CC[N@@H+](CCC(=O)NC(N)=O)C[C@@H]1n1cc[nH+]c1 ZINC000156570502 188270176 /nfs/dbraw/zinc/27/01/76/188270176.db2.gz SAEZOSKDKBKSID-MNOVXSKESA-N 2 2 279.344 0.351 20 0 CCADLP C[C@H](CC[NH+](C)C)Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000278455116 353301296 /nfs/dbraw/zinc/30/12/96/353301296.db2.gz SECNTBSUUDSPLO-MRVPVSSYSA-N 2 2 263.349 0.698 20 0 CCADLP CC1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[NH2+]CC1 ZINC000655457816 412578432 /nfs/dbraw/zinc/57/84/32/412578432.db2.gz FKDBVEGITSHNQK-LLVKDONJSA-N 2 2 262.357 0.704 20 0 CCADLP C[NH+](C)C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CCO1 ZINC000284015138 353543640 /nfs/dbraw/zinc/54/36/40/353543640.db2.gz OGZGCURIGJEKOC-AAOUONPWSA-N 2 2 264.329 0.212 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000283376235 353504302 /nfs/dbraw/zinc/50/43/02/353504302.db2.gz RGCRMJLPZUMMAN-UHFFFAOYSA-N 2 2 280.372 0.419 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCCNc1cccc[nH+]1 ZINC000283381017 353504343 /nfs/dbraw/zinc/50/43/43/353504343.db2.gz MTCFBJRQRIXSNB-UHFFFAOYSA-N 2 2 273.340 0.976 20 0 CCADLP CN(C)S(=O)(=O)CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000286453464 353587896 /nfs/dbraw/zinc/58/78/96/353587896.db2.gz OFZIPWXYRJNKOQ-UHFFFAOYSA-N 2 2 286.401 0.481 20 0 CCADLP C[NH2+]CCC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000286195218 353568561 /nfs/dbraw/zinc/56/85/61/353568561.db2.gz RXTFNUVLEMBFIE-UHFFFAOYSA-N 2 2 290.411 0.982 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)NCCc1cn(C)c[nH+]1 ZINC000556765437 291004805 /nfs/dbraw/zinc/00/48/05/291004805.db2.gz VSEKDJZHFLMZHT-ZDUSSCGKSA-N 2 2 279.388 0.698 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCCc1cn(C)c[nH+]1 ZINC000556765437 291004809 /nfs/dbraw/zinc/00/48/09/291004809.db2.gz VSEKDJZHFLMZHT-ZDUSSCGKSA-N 2 2 279.388 0.698 20 0 CCADLP C[NH+](C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000287812434 353668796 /nfs/dbraw/zinc/66/87/96/353668796.db2.gz JRMMETBKGMOFOJ-OAHLLOKOSA-N 2 2 291.395 0.565 20 0 CCADLP C[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000287812434 353668798 /nfs/dbraw/zinc/66/87/98/353668798.db2.gz JRMMETBKGMOFOJ-OAHLLOKOSA-N 2 2 291.395 0.565 20 0 CCADLP CCN(CC)c1ccc(CNC(=O)[C@H](C[NH3+])OC)c[nH+]1 ZINC000289951485 353696702 /nfs/dbraw/zinc/69/67/02/353696702.db2.gz MEULAUGSPBTAGE-LBPRGKRZSA-N 2 2 280.372 0.518 20 0 CCADLP COCC[N@@H+]1CC[C@H]([NH2+]CCc2cccnc2OC)C1 ZINC000289919801 353693657 /nfs/dbraw/zinc/69/36/57/353693657.db2.gz VIMAHAXTNMDUKB-AWEZNQCLSA-N 2 2 279.384 0.943 20 0 CCADLP COCC[N@H+]1CC[C@H]([NH2+]CCc2cccnc2OC)C1 ZINC000289919801 353693659 /nfs/dbraw/zinc/69/36/59/353693659.db2.gz VIMAHAXTNMDUKB-AWEZNQCLSA-N 2 2 279.384 0.943 20 0 CCADLP C[C@H](O)CNc1cc(N2CCC[C@@H]([NH+](C)C)C2)nc[nH+]1 ZINC000294342804 353888623 /nfs/dbraw/zinc/88/86/23/353888623.db2.gz JZXVEBLQWAHGKF-NWDGAFQWSA-N 2 2 279.388 0.800 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)n1C ZINC000605892817 363272341 /nfs/dbraw/zinc/27/23/41/363272341.db2.gz DWULWZQZUXMWCQ-LBPRGKRZSA-N 2 2 279.388 0.587 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2CCCC[N@H+]2C)n1C ZINC000605892817 363272344 /nfs/dbraw/zinc/27/23/44/363272344.db2.gz DWULWZQZUXMWCQ-LBPRGKRZSA-N 2 2 279.388 0.587 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)NCCC[NH+]1CCOCC1 ZINC000299499166 354022360 /nfs/dbraw/zinc/02/23/60/354022360.db2.gz RLNJUTNKQZRIEI-UHFFFAOYSA-N 2 2 295.387 0.213 20 0 CCADLP CC[NH+](CC)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000302750288 354086782 /nfs/dbraw/zinc/08/67/82/354086782.db2.gz VRAQJIMZQGLMRT-UHFFFAOYSA-N 2 2 271.405 0.555 20 0 CCADLP C[C@H]1CC[N@H+](CCOCCO)C[C@@H]1n1cc[nH+]c1 ZINC000305224617 354140114 /nfs/dbraw/zinc/14/01/14/354140114.db2.gz KHGDYZJORYFRHE-STQMWFEESA-N 2 2 253.346 0.775 20 0 CCADLP C[C@H]1CC[N@@H+](CCOCCO)C[C@@H]1n1cc[nH+]c1 ZINC000305224617 354140115 /nfs/dbraw/zinc/14/01/15/354140115.db2.gz KHGDYZJORYFRHE-STQMWFEESA-N 2 2 253.346 0.775 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC000305238232 354140813 /nfs/dbraw/zinc/14/08/13/354140813.db2.gz ZOALRIGBWIHETN-LIRRHRJNSA-N 2 2 284.425 0.826 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)C[C@H]2CCC[C@H]2O)CC1 ZINC000305276022 354143286 /nfs/dbraw/zinc/14/32/86/354143286.db2.gz AYZTZHMIWGIRQZ-RRFJBIMHSA-N 2 2 297.443 0.632 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@H]2CCC[C@H]2O)CC1 ZINC000305276022 354143290 /nfs/dbraw/zinc/14/32/90/354143290.db2.gz AYZTZHMIWGIRQZ-RRFJBIMHSA-N 2 2 297.443 0.632 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](CO)OC[C@@H]1C ZINC000305619230 354147281 /nfs/dbraw/zinc/14/72/81/354147281.db2.gz GPQMEHDQYIXNPQ-WCQYABFASA-N 2 2 253.346 0.663 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](CO)OC[C@@H]1C ZINC000305619230 354147285 /nfs/dbraw/zinc/14/72/85/354147285.db2.gz GPQMEHDQYIXNPQ-WCQYABFASA-N 2 2 253.346 0.663 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000305619227 354147515 /nfs/dbraw/zinc/14/75/15/354147515.db2.gz GPQMEHDQYIXNPQ-AAEUAGOBSA-N 2 2 253.346 0.663 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000305619227 354147517 /nfs/dbraw/zinc/14/75/17/354147517.db2.gz GPQMEHDQYIXNPQ-AAEUAGOBSA-N 2 2 253.346 0.663 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(CCCn2cc[nH+]c2)CC1 ZINC000305781350 354162012 /nfs/dbraw/zinc/16/20/12/354162012.db2.gz UMQRGQIFYXNHLH-CQSZACIVSA-N 2 2 266.389 0.662 20 0 CCADLP COCC[N@@H+]1CC[C@@H](Nc2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000607145395 363341726 /nfs/dbraw/zinc/34/17/26/363341726.db2.gz KKPWUVSUPWBCFU-GFCCVEGCSA-N 2 2 288.355 0.795 20 0 CCADLP COCC[N@H+]1CC[C@@H](Nc2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000607145395 363341730 /nfs/dbraw/zinc/34/17/30/363341730.db2.gz KKPWUVSUPWBCFU-GFCCVEGCSA-N 2 2 288.355 0.795 20 0 CCADLP COC(=O)[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000311434800 354199925 /nfs/dbraw/zinc/19/99/25/354199925.db2.gz DTYPCRHOVDJWRB-QWHCGFSZSA-N 2 2 272.389 0.573 20 0 CCADLP COC(=O)[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000311434800 354199928 /nfs/dbraw/zinc/19/99/28/354199928.db2.gz DTYPCRHOVDJWRB-QWHCGFSZSA-N 2 2 272.389 0.573 20 0 CCADLP COC(=O)[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000311434800 354199929 /nfs/dbraw/zinc/19/99/29/354199929.db2.gz DTYPCRHOVDJWRB-QWHCGFSZSA-N 2 2 272.389 0.573 20 0 CCADLP COC(=O)[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000311434800 354199933 /nfs/dbraw/zinc/19/99/33/354199933.db2.gz DTYPCRHOVDJWRB-QWHCGFSZSA-N 2 2 272.389 0.573 20 0 CCADLP C[C@H]1CCCN(C(=O)C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000314362018 354222900 /nfs/dbraw/zinc/22/29/00/354222900.db2.gz XUGNYMZFGFHFDV-LSDHHAIUSA-N 2 2 294.443 0.224 20 0 CCADLP CC[C@@H](C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)[NH+](C)C ZINC000330419490 354351429 /nfs/dbraw/zinc/35/14/29/354351429.db2.gz FYXPKUDCMBNZPS-NSHDSACASA-N 2 2 284.404 0.785 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)NCc2[nH]c[nH+]c2C)[N@H+](C)C1 ZINC000330541548 354402110 /nfs/dbraw/zinc/40/21/10/354402110.db2.gz IGBWYQNTJVWOQF-ONGXEEELSA-N 2 2 252.318 0.053 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)NCc2[nH]c[nH+]c2C)[N@@H+](C)C1 ZINC000330541548 354402113 /nfs/dbraw/zinc/40/21/13/354402113.db2.gz IGBWYQNTJVWOQF-ONGXEEELSA-N 2 2 252.318 0.053 20 0 CCADLP CC[C@@](C)(O)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000331230740 354499460 /nfs/dbraw/zinc/49/94/60/354499460.db2.gz PYQODCCFHGIABN-CYBMUJFWSA-N 2 2 252.362 0.688 20 0 CCADLP CC[N@@H+]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000557524404 291035308 /nfs/dbraw/zinc/03/53/08/291035308.db2.gz GFLNHGOQCMAEIY-NSHDSACASA-N 2 2 250.346 0.515 20 0 CCADLP CC[N@H+]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000557524404 291035310 /nfs/dbraw/zinc/03/53/10/291035310.db2.gz GFLNHGOQCMAEIY-NSHDSACASA-N 2 2 250.346 0.515 20 0 CCADLP CN(C(=O)NCC[N@@H+]1CCOC(C)(C)C1)C1CC([NH3+])C1 ZINC000331398226 354562667 /nfs/dbraw/zinc/56/26/67/354562667.db2.gz GDIFZIAOVWFLHT-UHFFFAOYSA-N 2 2 284.404 0.228 20 0 CCADLP CN(C(=O)NCC[N@H+]1CCOC(C)(C)C1)C1CC([NH3+])C1 ZINC000331398226 354562672 /nfs/dbraw/zinc/56/26/72/354562672.db2.gz GDIFZIAOVWFLHT-UHFFFAOYSA-N 2 2 284.404 0.228 20 0 CCADLP Cn1cc[nH+]c1N1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000331427661 354571743 /nfs/dbraw/zinc/57/17/43/354571743.db2.gz SFRBRBPYVHRAEC-UHFFFAOYSA-N 2 2 288.355 0.425 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000332475602 354682517 /nfs/dbraw/zinc/68/25/17/354682517.db2.gz TZJXWUNJVLJUIN-NEPJUHHUSA-N 2 2 274.430 0.789 20 0 CCADLP COC[C@H](CC(C)(C)C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000655496036 412596488 /nfs/dbraw/zinc/59/64/88/412596488.db2.gz AKNWRULUAIKDAZ-RYUDHWBXSA-N 2 2 273.421 0.833 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000333628302 354766137 /nfs/dbraw/zinc/76/61/37/354766137.db2.gz SKDMCHMOAXBQLZ-UKRRQHHQSA-N 2 2 296.415 0.102 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000333628302 354766143 /nfs/dbraw/zinc/76/61/43/354766143.db2.gz SKDMCHMOAXBQLZ-UKRRQHHQSA-N 2 2 296.415 0.102 20 0 CCADLP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000333631709 354766427 /nfs/dbraw/zinc/76/64/27/354766427.db2.gz VVYYCMDESUDEFI-CHWSQXEVSA-N 2 2 296.415 0.420 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000333849045 354805091 /nfs/dbraw/zinc/80/50/91/354805091.db2.gz PQLBDUVRJMMYGW-IGQOVBAYSA-N 2 2 296.415 0.147 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000333849045 354805096 /nfs/dbraw/zinc/80/50/96/354805096.db2.gz PQLBDUVRJMMYGW-IGQOVBAYSA-N 2 2 296.415 0.147 20 0 CCADLP CCC(C)(C)[NH+]1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000655495200 412596861 /nfs/dbraw/zinc/59/68/61/412596861.db2.gz LHDLYGFQGCTMCY-ZDUSSCGKSA-N 3 2 284.448 0.598 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000356637470 283054066 /nfs/dbraw/zinc/05/40/66/283054066.db2.gz DRGQNZYODHJLFD-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000356637470 283054069 /nfs/dbraw/zinc/05/40/69/283054069.db2.gz DRGQNZYODHJLFD-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP C[C@H]1CC[N@H+](CC[NH2+]C[C@H]2CNc3ccnn3C2)C1 ZINC000608582522 363441961 /nfs/dbraw/zinc/44/19/61/363441961.db2.gz LQBBDVFPJMKYTF-STQMWFEESA-N 2 2 263.389 0.856 20 0 CCADLP C[C@H]1CC[N@@H+](CC[NH2+]C[C@H]2CNc3ccnn3C2)C1 ZINC000608582522 363441969 /nfs/dbraw/zinc/44/19/69/363441969.db2.gz LQBBDVFPJMKYTF-STQMWFEESA-N 2 2 263.389 0.856 20 0 CCADLP C[N@H+]1CC=C(CNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000334646815 354917474 /nfs/dbraw/zinc/91/74/74/354917474.db2.gz KNLVLVQTBIVFEE-GFCCVEGCSA-N 2 2 289.383 0.828 20 0 CCADLP C[N@@H+]1CC=C(CNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000334646815 354917476 /nfs/dbraw/zinc/91/74/76/354917476.db2.gz KNLVLVQTBIVFEE-GFCCVEGCSA-N 2 2 289.383 0.828 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000334711720 354929201 /nfs/dbraw/zinc/92/92/01/354929201.db2.gz DLIULNHLCIRABE-WDEREUQCSA-N 2 2 250.346 0.743 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000684619794 545715542 /nfs/dbraw/zinc/71/55/42/545715542.db2.gz PJQQIUNGQAJGNB-CYBMUJFWSA-N 2 2 277.372 0.324 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+]1C1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000684619794 545715545 /nfs/dbraw/zinc/71/55/45/545715545.db2.gz PJQQIUNGQAJGNB-CYBMUJFWSA-N 2 2 277.372 0.324 20 0 CCADLP CC(C)[C@H]1CN(C(=O)NCc2[nH+]ccn2C)CC[N@@H+]1C ZINC000335164077 354976996 /nfs/dbraw/zinc/97/69/96/354976996.db2.gz XNZIUZLJACWWGZ-GFCCVEGCSA-N 2 2 279.388 0.902 20 0 CCADLP CC(C)[C@H]1CN(C(=O)NCc2[nH+]ccn2C)CC[N@H+]1C ZINC000335164077 354976999 /nfs/dbraw/zinc/97/69/99/354976999.db2.gz XNZIUZLJACWWGZ-GFCCVEGCSA-N 2 2 279.388 0.902 20 0 CCADLP CN(C)C(=O)N1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000335473516 354999603 /nfs/dbraw/zinc/99/96/03/354999603.db2.gz BZNSXZVYXOLXLO-UHFFFAOYSA-N 2 2 265.361 0.262 20 0 CCADLP C[N@@H+](Cc1cn2cc(Cl)ccc2n1)C[C@@H](O)C[NH3+] ZINC000336795386 355168192 /nfs/dbraw/zinc/16/81/92/355168192.db2.gz KCURDSKUCDJTSK-NSHDSACASA-N 2 2 268.748 0.739 20 0 CCADLP C[N@H+](Cc1cn2cc(Cl)ccc2n1)C[C@@H](O)C[NH3+] ZINC000336795386 355168195 /nfs/dbraw/zinc/16/81/95/355168195.db2.gz KCURDSKUCDJTSK-NSHDSACASA-N 2 2 268.748 0.739 20 0 CCADLP C[N@H+](C[C@@H]1CCS(=O)(=O)C1)C[C@H]1CCC[NH+](C)C1 ZINC000336694008 355137340 /nfs/dbraw/zinc/13/73/40/355137340.db2.gz DFLJPAWYXBESAV-STQMWFEESA-N 2 2 274.430 0.695 20 0 CCADLP C[N@@H+](C[C@@H]1CCS(=O)(=O)C1)C[C@H]1CCC[NH+](C)C1 ZINC000336694008 355137341 /nfs/dbraw/zinc/13/73/41/355137341.db2.gz DFLJPAWYXBESAV-STQMWFEESA-N 2 2 274.430 0.695 20 0 CCADLP C[NH+](C[C@@H]1CCS(=O)(=O)C1)C[C@H]1CCC[N@@H+](C)C1 ZINC000336694008 355137345 /nfs/dbraw/zinc/13/73/45/355137345.db2.gz DFLJPAWYXBESAV-STQMWFEESA-N 2 2 274.430 0.695 20 0 CCADLP C(C[NH+]1CCOCC1)N1CC[NH+](CC2CC2)CC1 ZINC000336709694 355144716 /nfs/dbraw/zinc/14/47/16/355144716.db2.gz MIRCTFVKWAHYLH-UHFFFAOYSA-N 2 2 253.390 0.346 20 0 CCADLP Cn1c[nH+]cc1CN(CCO)C1CC[NH+](C)CC1 ZINC000336717638 355148114 /nfs/dbraw/zinc/14/81/14/355148114.db2.gz UFCHKOZAGUEZOA-UHFFFAOYSA-N 2 2 252.362 0.309 20 0 CCADLP [NH3+][C@@H]1CC[C@@H](C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000424177073 235168634 /nfs/dbraw/zinc/16/86/34/235168634.db2.gz PJPUAGVDYKSHEH-KXUCPTDWSA-N 2 2 261.316 0.475 20 0 CCADLP c1cc(O[C@H]2CC[N@@H+](C[C@@H]3COCCO3)C2)cc[nH+]1 ZINC000336803520 355180044 /nfs/dbraw/zinc/18/00/44/355180044.db2.gz YSFSVMAYSZNVJT-UONOGXRCSA-N 2 2 264.325 0.950 20 0 CCADLP c1cc(O[C@H]2CC[N@H+](C[C@@H]3COCCO3)C2)cc[nH+]1 ZINC000336803520 355180045 /nfs/dbraw/zinc/18/00/45/355180045.db2.gz YSFSVMAYSZNVJT-UONOGXRCSA-N 2 2 264.325 0.950 20 0 CCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)C1CC[NH2+]CC1 ZINC000424182160 235172559 /nfs/dbraw/zinc/17/25/59/235172559.db2.gz YSGDLJKECDRYRY-JTQLQIEISA-N 2 2 261.316 0.347 20 0 CCADLP O=C(C[C@H]1CC[NH2+]C1)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424188765 235175127 /nfs/dbraw/zinc/17/51/27/235175127.db2.gz JUZPCRJPJFQOLM-ZJUUUORDSA-N 2 2 261.316 0.347 20 0 CCADLP COCC[C@H](COC)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000336813674 355188263 /nfs/dbraw/zinc/18/82/63/355188263.db2.gz CYTJZHWWZKPMQJ-LLVKDONJSA-N 2 2 270.377 0.627 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)C1CC1 ZINC000336814344 355189072 /nfs/dbraw/zinc/18/90/72/355189072.db2.gz FKTZWQKDTXFWCH-DZGCQCFKSA-N 3 2 269.433 0.715 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1)C1CC1 ZINC000336814344 355189074 /nfs/dbraw/zinc/18/90/74/355189074.db2.gz FKTZWQKDTXFWCH-DZGCQCFKSA-N 3 2 269.433 0.715 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C[C@H]1CCC[NH+](C)C1 ZINC000336814344 355189077 /nfs/dbraw/zinc/18/90/77/355189077.db2.gz FKTZWQKDTXFWCH-DZGCQCFKSA-N 3 2 269.433 0.715 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C[C@H]1CCC[NH+](C)C1 ZINC000336814344 355189081 /nfs/dbraw/zinc/18/90/81/355189081.db2.gz FKTZWQKDTXFWCH-DZGCQCFKSA-N 3 2 269.433 0.715 20 0 CCADLP Cc1cnc(C[N@H+](C)CCCN2CC[NH+](C)CC2)nc1 ZINC000336821522 355195696 /nfs/dbraw/zinc/19/56/96/355195696.db2.gz IELBUMAYPNDRFY-UHFFFAOYSA-N 2 2 277.416 0.854 20 0 CCADLP Cc1cnc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)nc1 ZINC000336821522 355195702 /nfs/dbraw/zinc/19/57/02/355195702.db2.gz IELBUMAYPNDRFY-UHFFFAOYSA-N 2 2 277.416 0.854 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000336822320 355196322 /nfs/dbraw/zinc/19/63/22/355196322.db2.gz LEQNSXNSSHFIHP-OAHLLOKOSA-N 2 2 278.400 0.846 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000336822320 355196326 /nfs/dbraw/zinc/19/63/26/355196326.db2.gz LEQNSXNSSHFIHP-OAHLLOKOSA-N 2 2 278.400 0.846 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000336822320 355196328 /nfs/dbraw/zinc/19/63/28/355196328.db2.gz LEQNSXNSSHFIHP-OAHLLOKOSA-N 3 2 278.400 0.846 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000336822320 355196331 /nfs/dbraw/zinc/19/63/31/355196331.db2.gz LEQNSXNSSHFIHP-OAHLLOKOSA-N 3 2 278.400 0.846 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)NCC[N@H+](C)C1CC1 ZINC000271852352 191367891 /nfs/dbraw/zinc/36/78/91/191367891.db2.gz XUGCLYLAVQQDIR-UHFFFAOYSA-N 2 2 265.361 0.656 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)NCC[N@@H+](C)C1CC1 ZINC000271852352 191367894 /nfs/dbraw/zinc/36/78/94/191367894.db2.gz XUGCLYLAVQQDIR-UHFFFAOYSA-N 2 2 265.361 0.656 20 0 CCADLP CCS(=O)(=O)NCC[N@H+](C)CCC[NH+]1CCCC1 ZINC000337270782 355293696 /nfs/dbraw/zinc/29/36/96/355293696.db2.gz NEVSGQKPDLAIGE-UHFFFAOYSA-N 2 2 277.434 0.343 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337270782 355293701 /nfs/dbraw/zinc/29/37/01/355293701.db2.gz NEVSGQKPDLAIGE-UHFFFAOYSA-N 2 2 277.434 0.343 20 0 CCADLP CC[NH+](CC)CCC[NH2+][C@H](CO)c1cnn(C)c1 ZINC000338293262 355312910 /nfs/dbraw/zinc/31/29/10/355312910.db2.gz UEIJCGHSRBVYJQ-CYBMUJFWSA-N 2 2 254.378 0.775 20 0 CCADLP CN(CCC(=O)N1CC[NH+](C)CC1)CC[N@H+](C)C1CC1 ZINC000338297001 355313542 /nfs/dbraw/zinc/31/35/42/355313542.db2.gz UZFWUODEZJWKLB-UHFFFAOYSA-N 2 2 282.432 0.177 20 0 CCADLP CN(CCC(=O)N1CC[NH+](C)CC1)CC[N@@H+](C)C1CC1 ZINC000338297001 355313548 /nfs/dbraw/zinc/31/35/48/355313548.db2.gz UZFWUODEZJWKLB-UHFFFAOYSA-N 2 2 282.432 0.177 20 0 CCADLP CN(CC[N@H+](C)CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000338297001 355313551 /nfs/dbraw/zinc/31/35/51/355313551.db2.gz UZFWUODEZJWKLB-UHFFFAOYSA-N 2 2 282.432 0.177 20 0 CCADLP CN(CC[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000338297001 355313554 /nfs/dbraw/zinc/31/35/54/355313554.db2.gz UZFWUODEZJWKLB-UHFFFAOYSA-N 2 2 282.432 0.177 20 0 CCADLP C[C@@H]1CN(Cc2c[nH+]c(N(C)C)n2C)C[C@H](C)[N@H+]1CCO ZINC000425341892 235288353 /nfs/dbraw/zinc/28/83/53/235288353.db2.gz FJWBQYLJYONUAD-BETUJISGSA-N 2 2 295.431 0.373 20 0 CCADLP C[C@@H]1CN(Cc2c[nH+]c(N(C)C)n2C)C[C@H](C)[N@@H+]1CCO ZINC000425341892 235288355 /nfs/dbraw/zinc/28/83/55/235288355.db2.gz FJWBQYLJYONUAD-BETUJISGSA-N 2 2 295.431 0.373 20 0 CCADLP CCS(=O)(=O)CCC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425368773 235289581 /nfs/dbraw/zinc/28/95/81/235289581.db2.gz KLLZUSKHIFNPOL-UHFFFAOYSA-N 2 2 288.417 0.401 20 0 CCADLP Cc1c[nH+]c(CNC[C@H](O)C[NH+]2CCCC2)n1C ZINC000341128499 355612141 /nfs/dbraw/zinc/61/21/41/355612141.db2.gz WMUQGOYMGFBDON-LBPRGKRZSA-N 2 2 252.362 0.275 20 0 CCADLP [NH3+]C[C@@H](NC(=O)[C@@H]([NH3+])c1c(F)cccc1F)C(F)(F)F ZINC000655519211 412611122 /nfs/dbraw/zinc/61/11/22/412611122.db2.gz PXSMYSNBALBHDK-APPZFPTMSA-N 2 2 297.227 0.970 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NCc2[nH+]ccn2C)CC[N@@H+]1C ZINC000341157559 355618868 /nfs/dbraw/zinc/61/88/68/355618868.db2.gz HLSINSDPZIMSLA-MNOVXSKESA-N 2 2 265.361 0.702 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NCc2[nH+]ccn2C)CC[N@H+]1C ZINC000341157559 355618873 /nfs/dbraw/zinc/61/88/73/355618873.db2.gz HLSINSDPZIMSLA-MNOVXSKESA-N 2 2 265.361 0.702 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)N(C)CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000341188407 355624925 /nfs/dbraw/zinc/62/49/25/355624925.db2.gz DBMQJCDWRDVKFY-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)N(C)CC[NH+]2CCOCC2)CC[N@H+]1C ZINC000341188407 355624929 /nfs/dbraw/zinc/62/49/29/355624929.db2.gz DBMQJCDWRDVKFY-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)[NH+]1CCOCC1 ZINC000341713093 355720505 /nfs/dbraw/zinc/72/05/05/355720505.db2.gz YYYXXTKXXZEBGI-FRRDWIJNSA-N 2 2 269.389 0.021 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)[NH+]1CCOCC1 ZINC000341713093 355720510 /nfs/dbraw/zinc/72/05/10/355720510.db2.gz YYYXXTKXXZEBGI-FRRDWIJNSA-N 2 2 269.389 0.021 20 0 CCADLP CCCCNC(=O)CC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000341501955 355682923 /nfs/dbraw/zinc/68/29/23/355682923.db2.gz UMYDNFBNFAVIHY-UHFFFAOYSA-N 2 2 285.432 0.681 20 0 CCADLP CCCCNC(=O)CC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000341501955 355682925 /nfs/dbraw/zinc/68/29/25/355682925.db2.gz UMYDNFBNFAVIHY-UHFFFAOYSA-N 2 2 285.432 0.681 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CC[NH2+]CC1(F)F ZINC000342758563 355738911 /nfs/dbraw/zinc/73/89/11/355738911.db2.gz ULZFUYFVGJDTGS-QMMMGPOBSA-N 2 2 258.272 0.313 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000342764222 355740917 /nfs/dbraw/zinc/74/09/17/355740917.db2.gz GPKAAKOLAIWJPV-NXEZZACHSA-N 2 2 272.299 0.633 20 0 CCADLP CC[C@@H](O)C[NH+]1CCN(Cc2[nH+]cc(C)n2C)CC1 ZINC000342776297 355743437 /nfs/dbraw/zinc/74/34/37/355743437.db2.gz GQKXZKHOYHVNPI-CYBMUJFWSA-N 2 2 266.389 0.617 20 0 CCADLP CCC1CC([NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000342735650 355732375 /nfs/dbraw/zinc/73/23/75/355732375.db2.gz PBONWKDVGVBOKR-NRXISQOPSA-N 2 2 295.427 0.698 20 0 CCADLP NC(=O)C[C@@H]([NH2+]CCCn1cc[nH+]c1)C1CCOCC1 ZINC000348281300 355902924 /nfs/dbraw/zinc/90/29/24/355902924.db2.gz XSZCHWWYLJUOKL-CYBMUJFWSA-N 2 2 280.372 0.533 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000348338235 355915166 /nfs/dbraw/zinc/91/51/66/355915166.db2.gz VDXYSLNNDHUEJJ-CMPLNLGQSA-N 2 2 263.341 0.904 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000348338235 355915170 /nfs/dbraw/zinc/91/51/70/355915170.db2.gz VDXYSLNNDHUEJJ-CMPLNLGQSA-N 2 2 263.341 0.904 20 0 CCADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)s1 ZINC000348355097 355916655 /nfs/dbraw/zinc/91/66/55/355916655.db2.gz KCPZNMFHEMSSDM-ZDUSSCGKSA-N 2 2 282.413 0.902 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@](C)(O)CC2)CC1 ZINC000348373006 355920945 /nfs/dbraw/zinc/92/09/45/355920945.db2.gz PJOJFJHFMSPRLE-GOEBONIOSA-N 2 2 297.443 0.776 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@](C)(O)CC2)CC1 ZINC000348373006 355920949 /nfs/dbraw/zinc/92/09/49/355920949.db2.gz PJOJFJHFMSPRLE-GOEBONIOSA-N 2 2 297.443 0.776 20 0 CCADLP CNC(=O)N1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000348256259 355897233 /nfs/dbraw/zinc/89/72/33/355897233.db2.gz LRWUQXLJBLAVAZ-UHFFFAOYSA-N 2 2 279.388 0.929 20 0 CCADLP CC[NH+](CC)CCOCCNC(=O)NCc1[nH+]ccn1C ZINC000351811911 356006006 /nfs/dbraw/zinc/00/60/06/356006006.db2.gz PVHXUWWJMPKPMX-UHFFFAOYSA-N 2 2 297.403 0.578 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000559311873 291081814 /nfs/dbraw/zinc/08/18/14/291081814.db2.gz OMKRAUXFVHHOPE-WFASDCNBSA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000559311873 291081818 /nfs/dbraw/zinc/08/18/18/291081818.db2.gz OMKRAUXFVHHOPE-WFASDCNBSA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000559311873 291081821 /nfs/dbraw/zinc/08/18/21/291081821.db2.gz OMKRAUXFVHHOPE-WFASDCNBSA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000559311873 291081823 /nfs/dbraw/zinc/08/18/23/291081823.db2.gz OMKRAUXFVHHOPE-WFASDCNBSA-N 2 2 297.399 0.082 20 0 CCADLP CNC(=O)COc1cccc(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000353119691 356159566 /nfs/dbraw/zinc/15/95/66/356159566.db2.gz OUXBOJCSKTVENM-DOMZBBRYSA-N 2 2 291.395 0.851 20 0 CCADLP CNC(=O)COc1cccc(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000353119691 356159567 /nfs/dbraw/zinc/15/95/67/356159567.db2.gz OUXBOJCSKTVENM-DOMZBBRYSA-N 2 2 291.395 0.851 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCCn2cc(CO)nn2)C1 ZINC000353191901 356174817 /nfs/dbraw/zinc/17/48/17/356174817.db2.gz LAAATPQHTLLDAI-YPMHNXCESA-N 2 2 267.377 0.090 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCCn2cc(CO)nn2)C1 ZINC000353191901 356174822 /nfs/dbraw/zinc/17/48/22/356174822.db2.gz LAAATPQHTLLDAI-YPMHNXCESA-N 2 2 267.377 0.090 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)C1CC[NH2+]CC1 ZINC000353201916 356177740 /nfs/dbraw/zinc/17/77/40/356177740.db2.gz HVQHOYVDJIJYMA-UHFFFAOYSA-N 2 2 250.346 0.731 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000353426256 356219469 /nfs/dbraw/zinc/21/94/69/356219469.db2.gz IVRZXIILSKCXQA-IHRRRGAJSA-N 2 2 282.432 0.127 20 0 CCADLP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000353464077 356229002 /nfs/dbraw/zinc/22/90/02/356229002.db2.gz XBMCOWWYXRFREP-CMPLNLGQSA-N 2 2 250.346 0.703 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000360554030 138000209 /nfs/dbraw/zinc/00/02/09/138000209.db2.gz VMRIJFAFNSIRKL-GDBMZVCRSA-N 3 2 294.443 0.224 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000360554030 138000210 /nfs/dbraw/zinc/00/02/10/138000210.db2.gz VMRIJFAFNSIRKL-GDBMZVCRSA-N 3 2 294.443 0.224 20 0 CCADLP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000360814206 138012116 /nfs/dbraw/zinc/01/21/16/138012116.db2.gz AXAKFYDQSDOTKU-GXSJLCMTSA-N 2 2 273.327 0.584 20 0 CCADLP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000360814206 138012117 /nfs/dbraw/zinc/01/21/17/138012117.db2.gz AXAKFYDQSDOTKU-GXSJLCMTSA-N 2 2 273.327 0.584 20 0 CCADLP CCC[C@@H]([NH3+])C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000353666933 356269595 /nfs/dbraw/zinc/26/95/95/356269595.db2.gz DRQNBLPQKFJCQH-LLVKDONJSA-N 2 2 265.361 0.181 20 0 CCADLP CCOC(=O)CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000353848872 356305594 /nfs/dbraw/zinc/30/55/94/356305594.db2.gz SQOUDMFCHSAZPZ-UHFFFAOYSA-N 2 2 299.415 0.424 20 0 CCADLP CCOC(=O)CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000353848872 356305596 /nfs/dbraw/zinc/30/55/96/356305596.db2.gz SQOUDMFCHSAZPZ-UHFFFAOYSA-N 2 2 299.415 0.424 20 0 CCADLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cnn(C)c1 ZINC000361220712 138025715 /nfs/dbraw/zinc/02/57/15/138025715.db2.gz NJKNFKAYPQBZCD-KBPBESRZSA-N 2 2 293.415 0.801 20 0 CCADLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cnn(C)c1 ZINC000361220712 138025716 /nfs/dbraw/zinc/02/57/16/138025716.db2.gz NJKNFKAYPQBZCD-KBPBESRZSA-N 2 2 293.415 0.801 20 0 CCADLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)[C@@H]1CCOC1 ZINC000361219657 138025804 /nfs/dbraw/zinc/02/58/04/138025804.db2.gz FVCUKUVYVFFEFA-RDBSUJKOSA-N 2 2 283.416 0.731 20 0 CCADLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)[C@@H]1CCOC1 ZINC000361219657 138025805 /nfs/dbraw/zinc/02/58/05/138025805.db2.gz FVCUKUVYVFFEFA-RDBSUJKOSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000354219169 356368761 /nfs/dbraw/zinc/36/87/61/356368761.db2.gz COSNYWULXHZZIS-ZIAGYGMSSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000354219169 356368762 /nfs/dbraw/zinc/36/87/62/356368762.db2.gz COSNYWULXHZZIS-ZIAGYGMSSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)[C@H]1CCOC1 ZINC000354330942 356391341 /nfs/dbraw/zinc/39/13/41/356391341.db2.gz BRSOEHYDXLYCHA-RWMBFGLXSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)[C@H]1CCOC1 ZINC000354330942 356391344 /nfs/dbraw/zinc/39/13/44/356391344.db2.gz BRSOEHYDXLYCHA-RWMBFGLXSA-N 2 2 269.389 0.341 20 0 CCADLP CCSCC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362828742 138076316 /nfs/dbraw/zinc/07/63/16/138076316.db2.gz YBSGHBIKGXZJNU-GFCCVEGCSA-N 2 2 271.430 0.636 20 0 CCADLP CCSCC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362828742 138076317 /nfs/dbraw/zinc/07/63/17/138076317.db2.gz YBSGHBIKGXZJNU-GFCCVEGCSA-N 2 2 271.430 0.636 20 0 CCADLP CC(C)n1nccc1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000354493428 356424963 /nfs/dbraw/zinc/42/49/63/356424963.db2.gz FWMPTFVCVNZKTP-CYBMUJFWSA-N 2 2 254.378 0.866 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)Nc2cc[nH+]c(N(C)C)c2)C1 ZINC000354516504 356430494 /nfs/dbraw/zinc/43/04/94/356430494.db2.gz UQRFKXZGJZPKHS-GFCCVEGCSA-N 2 2 278.356 0.807 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)Nc2cc[nH+]c(N(C)C)c2)C1 ZINC000354516504 356430496 /nfs/dbraw/zinc/43/04/96/356430496.db2.gz UQRFKXZGJZPKHS-GFCCVEGCSA-N 2 2 278.356 0.807 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000362664964 138068379 /nfs/dbraw/zinc/06/83/79/138068379.db2.gz NKVQBHKWQQGVCM-AWEZNQCLSA-N 2 2 274.368 0.478 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000362664964 138068380 /nfs/dbraw/zinc/06/83/80/138068380.db2.gz NKVQBHKWQQGVCM-AWEZNQCLSA-N 2 2 274.368 0.478 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2cscn2)C1 ZINC000362683698 138069949 /nfs/dbraw/zinc/06/99/49/138069949.db2.gz LYDFZYGTCSVVOB-GFCCVEGCSA-N 2 2 280.397 0.539 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC000362683698 138069950 /nfs/dbraw/zinc/06/99/50/138069950.db2.gz LYDFZYGTCSVVOB-GFCCVEGCSA-N 2 2 280.397 0.539 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH+]1CCOC[C@H]1C ZINC000362726076 138071699 /nfs/dbraw/zinc/07/16/99/138071699.db2.gz UBLOXOSQVNAVAL-UPJWGTAASA-N 2 2 269.389 0.021 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH+]1CCOC[C@H]1C ZINC000362726076 138071700 /nfs/dbraw/zinc/07/17/00/138071700.db2.gz UBLOXOSQVNAVAL-UPJWGTAASA-N 2 2 269.389 0.021 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000362726076 138071701 /nfs/dbraw/zinc/07/17/01/138071701.db2.gz UBLOXOSQVNAVAL-UPJWGTAASA-N 2 2 269.389 0.021 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000362726076 138071702 /nfs/dbraw/zinc/07/17/02/138071702.db2.gz UBLOXOSQVNAVAL-UPJWGTAASA-N 2 2 269.389 0.021 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000363192784 138087279 /nfs/dbraw/zinc/08/72/79/138087279.db2.gz NZURLJINLUJVSB-CYBMUJFWSA-N 2 2 262.357 0.970 20 0 CCADLP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC000354787147 356498764 /nfs/dbraw/zinc/49/87/64/356498764.db2.gz JIMGUBCNZQJYNE-DZGCQCFKSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CC[C@@H](CNC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC000354787147 356498765 /nfs/dbraw/zinc/49/87/65/356498765.db2.gz JIMGUBCNZQJYNE-DZGCQCFKSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CC[C@@H](CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000354787147 356498766 /nfs/dbraw/zinc/49/87/66/356498766.db2.gz JIMGUBCNZQJYNE-DZGCQCFKSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CC[C@@H](CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000354787147 356498767 /nfs/dbraw/zinc/49/87/67/356498767.db2.gz JIMGUBCNZQJYNE-DZGCQCFKSA-N 2 2 295.427 0.698 20 0 CCADLP OC1(C[NH+]2CCOCC2)CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000354903332 356526477 /nfs/dbraw/zinc/52/64/77/356526477.db2.gz VFWNEAOQTVNFLT-UHFFFAOYSA-N 2 2 280.372 0.069 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)NC(=O)CCc1c[nH+]cn1C ZINC000560445895 291101743 /nfs/dbraw/zinc/10/17/43/291101743.db2.gz DBFKMLBSSZPJAC-CYBMUJFWSA-N 2 2 296.415 0.562 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)no1 ZINC000355856642 356660028 /nfs/dbraw/zinc/66/00/28/356660028.db2.gz LQHIXPGLVTZRMR-JTQLQIEISA-N 2 2 278.356 0.703 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)no1 ZINC000355856642 356660033 /nfs/dbraw/zinc/66/00/33/356660033.db2.gz LQHIXPGLVTZRMR-JTQLQIEISA-N 2 2 278.356 0.703 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCF)CC1 ZINC000438303723 235730814 /nfs/dbraw/zinc/73/08/14/235730814.db2.gz XSLMVMMLUAHPHC-UHFFFAOYSA-N 2 2 260.357 0.281 20 0 CCADLP CC(C)CN(C(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000359270601 356789895 /nfs/dbraw/zinc/78/98/95/356789895.db2.gz FMJBKBQBUWSXMK-BETUJISGSA-N 2 2 265.401 0.785 20 0 CCADLP CC(C)CN(C(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000359270601 356789897 /nfs/dbraw/zinc/78/98/97/356789897.db2.gz FMJBKBQBUWSXMK-BETUJISGSA-N 2 2 265.401 0.785 20 0 CCADLP c1nc(N2CCOCC2)sc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359476335 356828316 /nfs/dbraw/zinc/82/83/16/356828316.db2.gz UHYBVJSOCMKNBC-TXEJJXNPSA-N 2 2 294.424 0.631 20 0 CCADLP c1nc(N2CCOCC2)sc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359476335 356828321 /nfs/dbraw/zinc/82/83/21/356828321.db2.gz UHYBVJSOCMKNBC-TXEJJXNPSA-N 2 2 294.424 0.631 20 0 CCADLP Cc1nn(C)c2ncc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc12 ZINC000359478065 356829202 /nfs/dbraw/zinc/82/92/02/356829202.db2.gz XHNSFCUNXSQJBL-BETUJISGSA-N 2 2 271.368 0.928 20 0 CCADLP Cc1nn(C)c2ncc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc12 ZINC000359478065 356829204 /nfs/dbraw/zinc/82/92/04/356829204.db2.gz XHNSFCUNXSQJBL-BETUJISGSA-N 2 2 271.368 0.928 20 0 CCADLP Cn1cc[nH+]c1CNc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000359487451 356830848 /nfs/dbraw/zinc/83/08/48/356830848.db2.gz MFNVCCAFVHAKTM-UHFFFAOYSA-N 2 2 270.300 0.420 20 0 CCADLP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1CCO ZINC000329085711 202183201 /nfs/dbraw/zinc/18/32/01/202183201.db2.gz GLFXOJKXHVNRQV-GFCCVEGCSA-N 2 2 288.351 0.473 20 0 CCADLP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1CCO ZINC000329085711 202183204 /nfs/dbraw/zinc/18/32/04/202183204.db2.gz GLFXOJKXHVNRQV-GFCCVEGCSA-N 2 2 288.351 0.473 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360549288 357039281 /nfs/dbraw/zinc/03/92/81/357039281.db2.gz FGUJYNHRTYIFFR-VNHYZAJKSA-N 2 2 281.400 0.356 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360549288 357039285 /nfs/dbraw/zinc/03/92/85/357039285.db2.gz FGUJYNHRTYIFFR-VNHYZAJKSA-N 2 2 281.400 0.356 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360567697 357040028 /nfs/dbraw/zinc/04/00/28/357040028.db2.gz GWAIHDFSAAWWIK-XHDPSFHLSA-N 2 2 296.415 0.685 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360567697 357040033 /nfs/dbraw/zinc/04/00/33/357040033.db2.gz GWAIHDFSAAWWIK-XHDPSFHLSA-N 2 2 296.415 0.685 20 0 CCADLP C[C@H]([C@H](C)NC(=O)CC1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000362726062 357056241 /nfs/dbraw/zinc/05/62/41/357056241.db2.gz TYGOSIBCTUWHPH-UONOGXRCSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000362701772 357056255 /nfs/dbraw/zinc/05/62/55/357056255.db2.gz KCEIXWGABLLCOM-MGPQQGTHSA-N 2 2 282.432 0.208 20 0 CCADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000362701772 357056258 /nfs/dbraw/zinc/05/62/58/357056258.db2.gz KCEIXWGABLLCOM-MGPQQGTHSA-N 2 2 282.432 0.208 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)C[NH+]1CCOCC1 ZINC000361877074 357050886 /nfs/dbraw/zinc/05/08/86/357050886.db2.gz JIRSPVMYVBILSG-QLFBSQMISA-N 3 2 269.433 0.885 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)C[NH+]1CCOCC1 ZINC000361877074 357050887 /nfs/dbraw/zinc/05/08/87/357050887.db2.gz JIRSPVMYVBILSG-QLFBSQMISA-N 3 2 269.433 0.885 20 0 CCADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)[C@H]1CC[NH2+]1 ZINC000444142560 235878405 /nfs/dbraw/zinc/87/84/05/235878405.db2.gz PAZFOSDXNIZQKU-GFCCVEGCSA-N 2 2 260.341 0.660 20 0 CCADLP C[NH+](C)CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000365435980 357151962 /nfs/dbraw/zinc/15/19/62/357151962.db2.gz YLKLLBFDTPGIMV-ZDUSSCGKSA-N 2 2 269.389 0.308 20 0 CCADLP C[NH+](C)CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000365435980 357151963 /nfs/dbraw/zinc/15/19/63/357151963.db2.gz YLKLLBFDTPGIMV-ZDUSSCGKSA-N 2 2 269.389 0.308 20 0 CCADLP O=C(NCCc1cn2ccccc2[nH+]1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000364598801 357123700 /nfs/dbraw/zinc/12/37/00/357123700.db2.gz IUDWXYVIJHGRLS-BBRMVZONSA-N 2 2 284.363 0.993 20 0 CCADLP CN1CCC[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1=O ZINC000655717864 412652364 /nfs/dbraw/zinc/65/23/64/412652364.db2.gz FFMLLERYCXUNOR-HUUCEWRRSA-N 2 2 295.427 0.840 20 0 CCADLP O=C1C[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CN1C1CC1 ZINC000655730421 412652549 /nfs/dbraw/zinc/65/25/49/412652549.db2.gz JLWJAOXPQMXISF-HIFRSBDPSA-N 2 2 293.411 0.593 20 0 CCADLP CN1CCC[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1=O ZINC000655719346 412652666 /nfs/dbraw/zinc/65/26/66/412652666.db2.gz RQAKQZMHQFNFMD-KBPBESRZSA-N 2 2 281.400 0.450 20 0 CCADLP NC(=O)NC(=O)CCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000610583353 363581617 /nfs/dbraw/zinc/58/16/17/363581617.db2.gz SWHNDBOWMFVSQT-UHFFFAOYSA-N 2 2 279.344 0.564 20 0 CCADLP Cn1cnc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000371155637 357367589 /nfs/dbraw/zinc/36/75/89/357367589.db2.gz NPOIMEBBFDTKGS-LBPRGKRZSA-N 2 2 291.399 0.318 20 0 CCADLP Cn1cnc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000371155637 357367591 /nfs/dbraw/zinc/36/75/91/357367591.db2.gz NPOIMEBBFDTKGS-LBPRGKRZSA-N 2 2 291.399 0.318 20 0 CCADLP C(C[NH+]1CCC1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655737312 412653836 /nfs/dbraw/zinc/65/38/36/412653836.db2.gz KZMSYUYACYENEQ-HNNXBMFYSA-N 2 2 267.417 0.925 20 0 CCADLP c1ncn(CC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)n1 ZINC000376558878 357480005 /nfs/dbraw/zinc/48/00/05/357480005.db2.gz QUHLXFRUHLWFNN-CYBMUJFWSA-N 2 2 259.313 0.826 20 0 CCADLP COC1(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000376866665 357511546 /nfs/dbraw/zinc/51/15/46/357511546.db2.gz LWNOWPWARHOEEK-ZDUSSCGKSA-N 2 2 295.427 0.840 20 0 CCADLP COC1(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000376866665 357511554 /nfs/dbraw/zinc/51/15/54/357511554.db2.gz LWNOWPWARHOEEK-ZDUSSCGKSA-N 2 2 295.427 0.840 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NCc2c[nH+]c3n2CCCC3)C1 ZINC000377139081 357542298 /nfs/dbraw/zinc/54/22/98/357542298.db2.gz HOKDJNLXWOEYGY-ZDUSSCGKSA-N 2 2 292.383 0.556 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NCc2c[nH+]c3n2CCCC3)C1 ZINC000377139081 357542303 /nfs/dbraw/zinc/54/23/03/357542303.db2.gz HOKDJNLXWOEYGY-ZDUSSCGKSA-N 2 2 292.383 0.556 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCc2c[nH+]c3n2CCCC3)C1 ZINC000377139080 357542552 /nfs/dbraw/zinc/54/25/52/357542552.db2.gz HOKDJNLXWOEYGY-CYBMUJFWSA-N 2 2 292.383 0.556 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NCc2c[nH+]c3n2CCCC3)C1 ZINC000377139080 357542555 /nfs/dbraw/zinc/54/25/55/357542555.db2.gz HOKDJNLXWOEYGY-CYBMUJFWSA-N 2 2 292.383 0.556 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCN1CCNC1=O ZINC000377276814 357560680 /nfs/dbraw/zinc/56/06/80/357560680.db2.gz PXLAGRLQMFBNSH-OLZOCXBDSA-N 2 2 266.389 0.570 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCN1CCNC1=O ZINC000377276814 357560684 /nfs/dbraw/zinc/56/06/84/357560684.db2.gz PXLAGRLQMFBNSH-OLZOCXBDSA-N 2 2 266.389 0.570 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCN1CCNC1=O ZINC000377276814 357560688 /nfs/dbraw/zinc/56/06/88/357560688.db2.gz PXLAGRLQMFBNSH-OLZOCXBDSA-N 2 2 266.389 0.570 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCN1CCNC1=O ZINC000377276814 357560689 /nfs/dbraw/zinc/56/06/89/357560689.db2.gz PXLAGRLQMFBNSH-OLZOCXBDSA-N 2 2 266.389 0.570 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655754784 412655908 /nfs/dbraw/zinc/65/59/08/412655908.db2.gz HHHSCNJBRXHEKU-JKSUJKDBSA-N 3 2 297.443 0.286 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655754784 412655913 /nfs/dbraw/zinc/65/59/13/412655913.db2.gz HHHSCNJBRXHEKU-JKSUJKDBSA-N 3 2 297.443 0.286 20 0 CCADLP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)NC ZINC000655775265 412657421 /nfs/dbraw/zinc/65/74/21/412657421.db2.gz VBXYDOIISNPSCS-KBPBESRZSA-N 2 2 283.416 0.744 20 0 CCADLP C[C@@]1(O)C[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655776182 412657441 /nfs/dbraw/zinc/65/74/41/412657441.db2.gz JLQGITNRFQARPF-MELADBBJSA-N 2 2 254.374 0.743 20 0 CCADLP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)[C@H](C)O ZINC000655772296 412657461 /nfs/dbraw/zinc/65/74/61/412657461.db2.gz MNBPPNBVORJHMB-UBHSHLNASA-N 2 2 256.390 0.989 20 0 CCADLP CN(C(=O)c1ccon1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377636668 357598290 /nfs/dbraw/zinc/59/82/90/357598290.db2.gz JTXXHIZKTOXVLF-CYBMUJFWSA-N 2 2 292.383 0.915 20 0 CCADLP CN(C(=O)c1ccon1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377636668 357598292 /nfs/dbraw/zinc/59/82/92/357598292.db2.gz JTXXHIZKTOXVLF-CYBMUJFWSA-N 2 2 292.383 0.915 20 0 CCADLP Cn1cc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cn1 ZINC000377750814 357611684 /nfs/dbraw/zinc/61/16/84/357611684.db2.gz WRKCRLHZVURVTC-HNNXBMFYSA-N 2 2 277.416 0.632 20 0 CCADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]CC[C@H]1CCOC1 ZINC000449397965 236033191 /nfs/dbraw/zinc/03/31/91/236033191.db2.gz WRDDFFMDYLJETJ-UONOGXRCSA-N 2 2 256.390 0.849 20 0 CCADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]CC[C@H]1CCOC1 ZINC000449397965 236033193 /nfs/dbraw/zinc/03/31/93/236033193.db2.gz WRDDFFMDYLJETJ-UONOGXRCSA-N 2 2 256.390 0.849 20 0 CCADLP C[C@H](Cn1cccn1)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449397498 236033264 /nfs/dbraw/zinc/03/32/64/236033264.db2.gz VJJYKRXBXZVNNQ-ZIAGYGMSSA-N 2 2 266.389 0.708 20 0 CCADLP C[C@H](Cn1cccn1)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449397498 236033266 /nfs/dbraw/zinc/03/32/66/236033266.db2.gz VJJYKRXBXZVNNQ-ZIAGYGMSSA-N 2 2 266.389 0.708 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@](O)(C(F)(F)F)C1 ZINC000385929009 357728693 /nfs/dbraw/zinc/72/86/93/357728693.db2.gz KNDBNZWQJHQOAC-NXEZZACHSA-N 2 2 270.295 0.298 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@](O)(C(F)(F)F)C1 ZINC000385929009 357728696 /nfs/dbraw/zinc/72/86/96/357728696.db2.gz KNDBNZWQJHQOAC-NXEZZACHSA-N 2 2 270.295 0.298 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000385929009 357728699 /nfs/dbraw/zinc/72/86/99/357728699.db2.gz KNDBNZWQJHQOAC-NXEZZACHSA-N 2 2 270.295 0.298 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000385929009 357728702 /nfs/dbraw/zinc/72/87/02/357728702.db2.gz KNDBNZWQJHQOAC-NXEZZACHSA-N 2 2 270.295 0.298 20 0 CCADLP C[N@@H+]1CCCC12CC[NH+](CCC(=O)N1CCOCC1)CC2 ZINC000378431895 357679643 /nfs/dbraw/zinc/67/96/43/357679643.db2.gz PNZZSHDKEXJAQU-UHFFFAOYSA-N 2 2 295.427 0.796 20 0 CCADLP C[N@H+]1CCCC12CC[NH+](CCC(=O)N1CCOCC1)CC2 ZINC000378431895 357679647 /nfs/dbraw/zinc/67/96/47/357679647.db2.gz PNZZSHDKEXJAQU-UHFFFAOYSA-N 2 2 295.427 0.796 20 0 CCADLP C[C@H]([NH3+])[C@H](C)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000449604140 236041293 /nfs/dbraw/zinc/04/12/93/236041293.db2.gz SGAGNPMXEZCWCF-STQMWFEESA-N 2 2 291.395 0.984 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCSC(C)(C)C1 ZINC000386504107 357730867 /nfs/dbraw/zinc/73/08/67/357730867.db2.gz ZMKHFJMUQYNGAX-LBPRGKRZSA-N 2 2 276.446 0.753 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCSC(C)(C)C1 ZINC000386504107 357730869 /nfs/dbraw/zinc/73/08/69/357730869.db2.gz ZMKHFJMUQYNGAX-LBPRGKRZSA-N 2 2 276.446 0.753 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCSC(C)(C)C1 ZINC000386504107 357730872 /nfs/dbraw/zinc/73/08/72/357730872.db2.gz ZMKHFJMUQYNGAX-LBPRGKRZSA-N 2 2 276.446 0.753 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCSC(C)(C)C1 ZINC000386504107 357730875 /nfs/dbraw/zinc/73/08/75/357730875.db2.gz ZMKHFJMUQYNGAX-LBPRGKRZSA-N 2 2 276.446 0.753 20 0 CCADLP Cc1nc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)nc(N)[nH+]1 ZINC000394167689 357754714 /nfs/dbraw/zinc/75/47/14/357754714.db2.gz BXIFGIRELBZRMM-ZACCUICWSA-N 2 2 262.361 0.654 20 0 CCADLP Cc1nc(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nc(N)[nH+]1 ZINC000394167689 357754716 /nfs/dbraw/zinc/75/47/16/357754716.db2.gz BXIFGIRELBZRMM-ZACCUICWSA-N 2 2 262.361 0.654 20 0 CCADLP Cc1nc(N)nc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)[nH+]1 ZINC000394167689 357754719 /nfs/dbraw/zinc/75/47/19/357754719.db2.gz BXIFGIRELBZRMM-ZACCUICWSA-N 2 2 262.361 0.654 20 0 CCADLP Cc1nc(N)nc(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[nH+]1 ZINC000394167689 357754721 /nfs/dbraw/zinc/75/47/21/357754721.db2.gz BXIFGIRELBZRMM-ZACCUICWSA-N 2 2 262.361 0.654 20 0 CCADLP O=C(CC[C@H]1CCC[NH2+]C1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394381764 357755858 /nfs/dbraw/zinc/75/58/58/357755858.db2.gz SVNVQRWIUBHCOS-HUUCEWRRSA-N 2 2 294.443 0.272 20 0 CCADLP O=C(CC[C@H]1CCC[NH2+]C1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000394381764 357755860 /nfs/dbraw/zinc/75/58/60/357755860.db2.gz SVNVQRWIUBHCOS-HUUCEWRRSA-N 2 2 294.443 0.272 20 0 CCADLP CS(=O)(=O)N1CC[C@H]([NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000400275127 357792461 /nfs/dbraw/zinc/79/24/61/357792461.db2.gz YNNJKHMFQNJAGG-BPNCWPANSA-N 2 2 295.408 0.755 20 0 CCADLP C[N@H+]1CCN(C(=O)COCc2ccccc2)[C@H](C[NH3+])C1 ZINC000404435680 357821387 /nfs/dbraw/zinc/82/13/87/357821387.db2.gz HRJXJPWQDFRMSZ-CQSZACIVSA-N 2 2 277.368 0.305 20 0 CCADLP Cc1cccc(CCNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])n1 ZINC000561200030 291120657 /nfs/dbraw/zinc/12/06/57/291120657.db2.gz VEZGAKINOIEGSF-AWEZNQCLSA-N 2 2 291.399 0.217 20 0 CCADLP Cc1cccc(CCNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])n1 ZINC000561200030 291120658 /nfs/dbraw/zinc/12/06/58/291120658.db2.gz VEZGAKINOIEGSF-AWEZNQCLSA-N 2 2 291.399 0.217 20 0 CCADLP C[C@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)C(C)(C)n1cncn1 ZINC000453297635 236274305 /nfs/dbraw/zinc/27/43/05/236274305.db2.gz UULLVZAYPMDHNQ-KBPBESRZSA-N 2 2 295.431 0.838 20 0 CCADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)C(C)(C)n1cncn1 ZINC000453297635 236274306 /nfs/dbraw/zinc/27/43/06/236274306.db2.gz UULLVZAYPMDHNQ-KBPBESRZSA-N 2 2 295.431 0.838 20 0 CCADLP CNC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134908754 283321650 /nfs/dbraw/zinc/32/16/50/283321650.db2.gz BCOFLWREXQUVNA-DGCLKSJQSA-N 2 2 251.374 0.681 20 0 CCADLP CNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134908754 283321656 /nfs/dbraw/zinc/32/16/56/283321656.db2.gz BCOFLWREXQUVNA-DGCLKSJQSA-N 2 2 251.374 0.681 20 0 CCADLP CNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134908754 283321660 /nfs/dbraw/zinc/32/16/60/283321660.db2.gz BCOFLWREXQUVNA-DGCLKSJQSA-N 2 2 251.374 0.681 20 0 CCADLP CNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134908754 283321666 /nfs/dbraw/zinc/32/16/66/283321666.db2.gz BCOFLWREXQUVNA-DGCLKSJQSA-N 2 2 251.374 0.681 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c(nnn3C)C2)C[N@@H+]1C1CC1 ZINC000655829261 412666650 /nfs/dbraw/zinc/66/66/50/412666650.db2.gz LFTVZQAWTOVQND-GRYCIOLGSA-N 2 2 275.400 0.887 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c(nnn3C)C2)C[N@H+]1C1CC1 ZINC000655829261 412666653 /nfs/dbraw/zinc/66/66/53/412666653.db2.gz LFTVZQAWTOVQND-GRYCIOLGSA-N 2 2 275.400 0.887 20 0 CCADLP C[C@H](C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)CN1CCOCC1 ZINC000422774050 358192721 /nfs/dbraw/zinc/19/27/21/358192721.db2.gz ZVRXSCKEXXPROO-VNQPRFMTSA-N 2 2 297.443 0.311 20 0 CCADLP C[NH+](C)CCCOC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000562276010 291141362 /nfs/dbraw/zinc/14/13/62/291141362.db2.gz NUFFVRRYYBTNIX-UHFFFAOYSA-N 2 2 294.399 0.842 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(=O)NC(C)(C)C)C1 ZINC000430604426 358227895 /nfs/dbraw/zinc/22/78/95/358227895.db2.gz NDSWYYLCFPXFOJ-NWDGAFQWSA-N 2 2 298.431 0.931 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC(=O)NC(C)(C)C)C1 ZINC000430604426 358227898 /nfs/dbraw/zinc/22/78/98/358227898.db2.gz NDSWYYLCFPXFOJ-NWDGAFQWSA-N 2 2 298.431 0.931 20 0 CCADLP C[C@H](C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)CS(C)(=O)=O ZINC000428033375 358220356 /nfs/dbraw/zinc/22/03/56/358220356.db2.gz MMBVGLORRJCWLQ-GRYCIOLGSA-N 2 2 260.403 0.351 20 0 CCADLP C[C@H](C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)CS(C)(=O)=O ZINC000428033375 358220360 /nfs/dbraw/zinc/22/03/60/358220360.db2.gz MMBVGLORRJCWLQ-GRYCIOLGSA-N 2 2 260.403 0.351 20 0 CCADLP CNC(=O)OC[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000496102597 358320239 /nfs/dbraw/zinc/32/02/39/358320239.db2.gz SKHVGAHHZOZSNU-KBPBESRZSA-N 2 2 299.415 0.652 20 0 CCADLP CNC(=O)OC[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000496102597 358320245 /nfs/dbraw/zinc/32/02/45/358320245.db2.gz SKHVGAHHZOZSNU-KBPBESRZSA-N 2 2 299.415 0.652 20 0 CCADLP CNC(=O)OC[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000496102597 358320248 /nfs/dbraw/zinc/32/02/48/358320248.db2.gz SKHVGAHHZOZSNU-KBPBESRZSA-N 2 2 299.415 0.652 20 0 CCADLP CNC(=O)OC[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000496102597 358320250 /nfs/dbraw/zinc/32/02/50/358320250.db2.gz SKHVGAHHZOZSNU-KBPBESRZSA-N 2 2 299.415 0.652 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2CN(c3cc[nH+]c4ccncc43)CCN2C1=O ZINC000516089132 358339411 /nfs/dbraw/zinc/33/94/11/358339411.db2.gz PGVWZJGOJPDNEZ-ZYHUDNBSSA-N 2 2 283.335 0.378 20 0 CCADLP C[C@@]1(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)CC[NH2+]C1 ZINC000530247974 358385972 /nfs/dbraw/zinc/38/59/72/358385972.db2.gz FOFDPWCVBWFKAY-FRRDWIJNSA-N 2 2 272.414 0.638 20 0 CCADLP C[C@@]1(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)CC[NH2+]C1 ZINC000530247974 358385975 /nfs/dbraw/zinc/38/59/75/358385975.db2.gz FOFDPWCVBWFKAY-FRRDWIJNSA-N 2 2 272.414 0.638 20 0 CCADLP CC(C)OC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000562477835 291154777 /nfs/dbraw/zinc/15/47/77/291154777.db2.gz QDVAOULVIMINOJ-MJBXVCDLSA-N 2 2 256.390 0.941 20 0 CCADLP CC(C)OC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000562477835 291154778 /nfs/dbraw/zinc/15/47/78/291154778.db2.gz QDVAOULVIMINOJ-MJBXVCDLSA-N 2 2 256.390 0.941 20 0 CCADLP CC(C)OC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000562477835 291154779 /nfs/dbraw/zinc/15/47/79/291154779.db2.gz QDVAOULVIMINOJ-MJBXVCDLSA-N 2 2 256.390 0.941 20 0 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C[C@@H]1C[N@@H+](CCN(C)C(=O)Cc2c[nH+]cn2C)C[C@H](C)O1 ZINC000570072406 358819936 /nfs/dbraw/zinc/81/99/36/358819936.db2.gz IREXSPYTILINFU-BETUJISGSA-N 2 2 294.399 0.530 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)Cc2c[nH+]cn2C)C[C@H](C)O1 ZINC000570072406 358819938 /nfs/dbraw/zinc/81/99/38/358819938.db2.gz IREXSPYTILINFU-BETUJISGSA-N 2 2 294.399 0.530 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)C[NH+]2CC(C)(C)C2)CCO1 ZINC000569589250 358776773 /nfs/dbraw/zinc/77/67/73/358776773.db2.gz GLXCMCQRCGIJGP-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)C[NH+]2CC(C)(C)C2)CCO1 ZINC000569589250 358776776 /nfs/dbraw/zinc/77/67/76/358776776.db2.gz GLXCMCQRCGIJGP-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1CC[NH+]1CCOC[C@@H]1C ZINC000569716576 358787808 /nfs/dbraw/zinc/78/78/08/358787808.db2.gz TVMGJUYLOSQOOD-KBPBESRZSA-N 2 2 255.406 0.733 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1CC[NH+]1CCOC[C@@H]1C ZINC000569716576 358787814 /nfs/dbraw/zinc/78/78/14/358787814.db2.gz 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358833465 /nfs/dbraw/zinc/83/34/65/358833465.db2.gz UNFMKXSRQWMYMH-RYUDHWBXSA-N 2 2 285.388 0.115 20 0 CCADLP C[N@@H+]1CCN(C(=O)Nc2cc(Cl)ccn2)[C@H](C[NH3+])C1 ZINC000570423518 358856537 /nfs/dbraw/zinc/85/65/37/358856537.db2.gz PUZRUDJDUMPCDS-SNVBAGLBSA-N 2 2 283.763 0.842 20 0 CCADLP C[N@H+]1CCN(C(=O)Nc2cc(Cl)ccn2)[C@H](C[NH3+])C1 ZINC000570423518 358856540 /nfs/dbraw/zinc/85/65/40/358856540.db2.gz PUZRUDJDUMPCDS-SNVBAGLBSA-N 2 2 283.763 0.842 20 0 CCADLP COC(=O)C[C@H]1CCC[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000571165628 358917221 /nfs/dbraw/zinc/91/72/21/358917221.db2.gz BKKUUYQRJAXCKL-SECBINFHSA-N 2 2 282.344 0.791 20 0 CCADLP COC(=O)C[C@H]1CCC[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000571165628 358917224 /nfs/dbraw/zinc/91/72/24/358917224.db2.gz BKKUUYQRJAXCKL-SECBINFHSA-N 2 2 282.344 0.791 20 0 CCADLP O=C(NC1CC[NH2+]CC1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000570681272 358884035 /nfs/dbraw/zinc/88/40/35/358884035.db2.gz KWIYRGDPUFKWBW-CQSZACIVSA-N 2 2 281.400 0.498 20 0 CCADLP O=C(NC1CC[NH2+]CC1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000570681272 358884037 /nfs/dbraw/zinc/88/40/37/358884037.db2.gz KWIYRGDPUFKWBW-CQSZACIVSA-N 2 2 281.400 0.498 20 0 CCADLP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+]2CCC[C@](C)(F)C2)C1=O ZINC000570786909 358894306 /nfs/dbraw/zinc/89/43/06/358894306.db2.gz LMVOAPRLSUUFGI-WFASDCNBSA-N 2 2 299.390 0.890 20 0 CCADLP C[NH+](C)CCCN1C(=O)C[C@H]([N@H+]2CCC[C@](C)(F)C2)C1=O ZINC000570786909 358894309 /nfs/dbraw/zinc/89/43/09/358894309.db2.gz LMVOAPRLSUUFGI-WFASDCNBSA-N 2 2 299.390 0.890 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CC[NH+](CC)C2)CCO1 ZINC000562728214 291165532 /nfs/dbraw/zinc/16/55/32/291165532.db2.gz GNEIWGOZMKCMHB-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CC[NH+](CC)C2)CCO1 ZINC000562728214 291165534 /nfs/dbraw/zinc/16/55/34/291165534.db2.gz GNEIWGOZMKCMHB-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CC[N@H+](CC)C2)CCO1 ZINC000562728214 291165536 /nfs/dbraw/zinc/16/55/36/291165536.db2.gz GNEIWGOZMKCMHB-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CC[N@@H+](CC)C2)CCO1 ZINC000562728214 291165539 /nfs/dbraw/zinc/16/55/39/291165539.db2.gz GNEIWGOZMKCMHB-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCc2ccccc2)[C@H](C[NH3+])C1 ZINC000573547849 358976866 /nfs/dbraw/zinc/97/68/66/358976866.db2.gz QLLGFNODVAULPO-CQSZACIVSA-N 2 2 276.384 0.513 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCc2ccccc2)[C@H](C[NH3+])C1 ZINC000573547849 358976870 /nfs/dbraw/zinc/97/68/70/358976870.db2.gz QLLGFNODVAULPO-CQSZACIVSA-N 2 2 276.384 0.513 20 0 CCADLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(-n2cc[nH+]c2)ccn1 ZINC000573247848 358951927 /nfs/dbraw/zinc/95/19/27/358951927.db2.gz QEJAEPYDOUWPKE-PJXYFTJBSA-N 2 2 269.308 0.215 20 0 CCADLP CCOCCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000343039052 535443633 /nfs/dbraw/zinc/44/36/33/535443633.db2.gz DUGYHUQIZRIYCB-UHFFFAOYSA-N 2 2 285.432 0.897 20 0 CCADLP CCOCCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000343039052 535443634 /nfs/dbraw/zinc/44/36/34/535443634.db2.gz DUGYHUQIZRIYCB-UHFFFAOYSA-N 2 2 285.432 0.897 20 0 CCADLP C[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C(C)(C)C[NH+](C)C ZINC000562810360 291168715 /nfs/dbraw/zinc/16/87/15/291168715.db2.gz ODENHVDVWPXLDR-OLZOCXBDSA-N 3 2 299.463 0.247 20 0 CCADLP C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C(C)(C)C[NH+](C)C ZINC000562810360 291168717 /nfs/dbraw/zinc/16/87/17/291168717.db2.gz ODENHVDVWPXLDR-OLZOCXBDSA-N 3 2 299.463 0.247 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000573684657 358990449 /nfs/dbraw/zinc/99/04/49/358990449.db2.gz NMDHKXLEIAUROA-ZDUSSCGKSA-N 2 2 270.421 0.127 20 0 CCADLP CC(C)[C@@H](NC(=O)C[C@H]1COCC[NH2+]1)c1[nH]cc[nH+]1 ZINC000573962690 359015778 /nfs/dbraw/zinc/01/57/78/359015778.db2.gz HUMIBOVKPATRTE-CMPLNLGQSA-N 2 2 266.345 0.602 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CO1 ZINC000580193594 359080919 /nfs/dbraw/zinc/08/09/19/359080919.db2.gz KJUYORHYYQAIQK-ZBFHGGJFSA-N 2 2 297.443 0.550 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CO1 ZINC000580193594 359080920 /nfs/dbraw/zinc/08/09/20/359080920.db2.gz KJUYORHYYQAIQK-ZBFHGGJFSA-N 2 2 297.443 0.550 20 0 CCADLP CCN(CC)C(=O)CCCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000580772961 359091582 /nfs/dbraw/zinc/09/15/82/359091582.db2.gz KHYWAWAVOAEUBF-ZDUSSCGKSA-N 2 2 298.431 0.126 20 0 CCADLP CCN(CC)C(=O)CCCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000580772961 359091585 /nfs/dbraw/zinc/09/15/85/359091585.db2.gz KHYWAWAVOAEUBF-ZDUSSCGKSA-N 2 2 298.431 0.126 20 0 CCADLP C[C@H](O)C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000584834143 359213267 /nfs/dbraw/zinc/21/32/67/359213267.db2.gz ASCCUNZJNLPDOG-ZDUSSCGKSA-N 2 2 292.383 0.091 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000562977869 291177456 /nfs/dbraw/zinc/17/74/56/291177456.db2.gz OCNOURDPKWWYPG-NSHDSACASA-N 2 2 266.345 0.147 20 0 CCADLP C[NH+](C)CCn1cc(NC(=O)NCCn2cc[nH+]c2)cn1 ZINC000590343347 359441297 /nfs/dbraw/zinc/44/12/97/359441297.db2.gz CUSVGTGVZZBMBW-UHFFFAOYSA-N 2 2 291.359 0.463 20 0 CCADLP CN(C)c1nccc(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)n1 ZINC000562990965 291179187 /nfs/dbraw/zinc/17/91/87/291179187.db2.gz JMCPRBQAKPKGLW-CYBMUJFWSA-N 2 2 279.388 0.087 20 0 CCADLP CN(C)c1nccc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)n1 ZINC000562990965 291179190 /nfs/dbraw/zinc/17/91/90/291179190.db2.gz JMCPRBQAKPKGLW-CYBMUJFWSA-N 2 2 279.388 0.087 20 0 CCADLP C[NH+](C)C/C=C\C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000492045950 237060433 /nfs/dbraw/zinc/06/04/33/237060433.db2.gz JSCGNIGFYVPXIN-RYWCDNDXSA-N 2 2 262.357 0.992 20 0 CCADLP CCOC(=O)CC[C@@H](O)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000563014073 291181693 /nfs/dbraw/zinc/18/16/93/291181693.db2.gz UVXOBAHTZXRVGR-VXGBXAGGSA-N 2 2 281.356 0.492 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000591563330 359600158 /nfs/dbraw/zinc/60/01/58/359600158.db2.gz VEWIQUBPGCJAJT-LBPRGKRZSA-N 2 2 296.415 0.685 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCC[NH+]1CCCOCC1 ZINC000563058844 291186027 /nfs/dbraw/zinc/18/60/27/291186027.db2.gz ZYFZLFMJQURYNS-AWEZNQCLSA-N 2 2 298.431 0.444 20 0 CCADLP CC[C@H]1C[NH+](C)CCN1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000563058844 291186029 /nfs/dbraw/zinc/18/60/29/291186029.db2.gz ZYFZLFMJQURYNS-AWEZNQCLSA-N 2 2 298.431 0.444 20 0 CCADLP CC[C@H]1C[NH+](C)CCN1C(=O)NCC[N@H+]1CCCOCC1 ZINC000563058844 291186031 /nfs/dbraw/zinc/18/60/31/291186031.db2.gz ZYFZLFMJQURYNS-AWEZNQCLSA-N 2 2 298.431 0.444 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](F)C2)CC1 ZINC000336259430 213096322 /nfs/dbraw/zinc/09/63/22/213096322.db2.gz AOLPPPYROWNFCU-NWDGAFQWSA-N 2 2 257.353 0.583 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](F)C2)CC1 ZINC000336259430 213096324 /nfs/dbraw/zinc/09/63/24/213096324.db2.gz AOLPPPYROWNFCU-NWDGAFQWSA-N 2 2 257.353 0.583 20 0 CCADLP C[C@H](CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1cccnc1 ZINC000563101827 291193236 /nfs/dbraw/zinc/19/32/36/291193236.db2.gz OSXGYMSXFNEJOL-OCCSQVGLSA-N 2 2 276.384 0.677 20 0 CCADLP C[C@H](CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1cccnc1 ZINC000563101827 291193237 /nfs/dbraw/zinc/19/32/37/291193237.db2.gz OSXGYMSXFNEJOL-OCCSQVGLSA-N 2 2 276.384 0.677 20 0 CCADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cnnn1C)CCC2 ZINC000329303092 202273478 /nfs/dbraw/zinc/27/34/78/202273478.db2.gz WRUOSEJIQYEOAF-LLVKDONJSA-N 2 2 260.345 0.987 20 0 CCADLP Cc1cc(C)n2c(CN3CC[N@@H+](C)C[C@@H]3C[NH3+])cnc2n1 ZINC000563136173 291197479 /nfs/dbraw/zinc/19/74/79/291197479.db2.gz DTRYTOHCYCEOAH-ZDUSSCGKSA-N 2 2 288.399 0.421 20 0 CCADLP Cc1cc(C)n2c(CN3CC[N@H+](C)C[C@@H]3C[NH3+])cnc2n1 ZINC000563136173 291197480 /nfs/dbraw/zinc/19/74/80/291197480.db2.gz DTRYTOHCYCEOAH-ZDUSSCGKSA-N 2 2 288.399 0.421 20 0 CCADLP C[C@@](C[NH3+])([NH2+]CC(=O)NC(=O)NC1CCCC1)C1CC1 ZINC000592475245 359850989 /nfs/dbraw/zinc/85/09/89/359850989.db2.gz FFGBCETYQWFVJF-AWEZNQCLSA-N 2 2 282.388 0.472 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2cccc3cccnc32)[C@@H](C[NH3+])C1 ZINC000563202815 291205302 /nfs/dbraw/zinc/20/53/02/291205302.db2.gz AXMDGBWACRJIQQ-HNNXBMFYSA-N 2 2 298.390 0.879 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2cccc3cccnc32)[C@@H](C[NH3+])C1 ZINC000563202815 291205304 /nfs/dbraw/zinc/20/53/04/291205304.db2.gz AXMDGBWACRJIQQ-HNNXBMFYSA-N 2 2 298.390 0.879 20 0 CCADLP C[C@@H](CC(=O)NCC[NH+]1CCOCC1)n1cc[nH+]c1 ZINC000563234594 291207937 /nfs/dbraw/zinc/20/79/37/291207937.db2.gz GQVPBAMGPKAIHA-LBPRGKRZSA-N 2 2 266.345 0.283 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)C[C@@H]1C ZINC000592565934 359892306 /nfs/dbraw/zinc/89/23/06/359892306.db2.gz DEMWQIBUCCFAPJ-WCQYABFASA-N 2 2 297.399 0.080 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)C[C@@H]1C ZINC000592565934 359892311 /nfs/dbraw/zinc/89/23/11/359892311.db2.gz DEMWQIBUCCFAPJ-WCQYABFASA-N 2 2 297.399 0.080 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000563244714 291209099 /nfs/dbraw/zinc/20/90/99/291209099.db2.gz CKGVEFIDZMDJHO-CYBMUJFWSA-N 2 2 282.388 0.919 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000563244714 291209101 /nfs/dbraw/zinc/20/91/01/291209101.db2.gz CKGVEFIDZMDJHO-CYBMUJFWSA-N 2 2 282.388 0.919 20 0 CCADLP C[C@H]1OCC[NH2+][C@H]1C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000361083221 291211469 /nfs/dbraw/zinc/21/14/69/291211469.db2.gz XKSIKWYGPVJZQT-QMTHXVAHSA-N 2 2 291.351 0.484 20 0 CCADLP COC(=O)C(C)(C)CC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593051562 360021735 /nfs/dbraw/zinc/02/17/35/360021735.db2.gz LDUGYWWXMKMWIS-UHFFFAOYSA-N 2 2 299.415 0.282 20 0 CCADLP COC(=O)C(C)(C)CC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593051562 360021736 /nfs/dbraw/zinc/02/17/36/360021736.db2.gz LDUGYWWXMKMWIS-UHFFFAOYSA-N 2 2 299.415 0.282 20 0 CCADLP C[C@H](O)CNc1cc(NCCC[NH+]2CCOCC2)nc[nH+]1 ZINC000298182685 200354899 /nfs/dbraw/zinc/35/48/99/200354899.db2.gz GSNQLBJPNGWKLS-LBPRGKRZSA-N 2 2 295.387 0.404 20 0 CCADLP CCOC(=O)c1ccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)o1 ZINC000593904245 360202057 /nfs/dbraw/zinc/20/20/57/360202057.db2.gz SXDOVZZTILUNAA-NSHDSACASA-N 2 2 297.355 0.352 20 0 CCADLP C[C@H](C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)[NH+]1CC(C)C1 ZINC000563397935 291223172 /nfs/dbraw/zinc/22/31/72/291223172.db2.gz NGIHPKFTPMWZRB-RBSFLKMASA-N 2 2 295.427 0.648 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3nc4c(s3)CCC4)CCN2C1=O ZINC000594736407 360370164 /nfs/dbraw/zinc/37/01/64/360370164.db2.gz FXOBCGHJJHVRFT-VHSXEESVSA-N 2 2 292.408 0.376 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3nc4c(s3)CCC4)CCN2C1=O ZINC000594736407 360370166 /nfs/dbraw/zinc/37/01/66/360370166.db2.gz FXOBCGHJJHVRFT-VHSXEESVSA-N 2 2 292.408 0.376 20 0 CCADLP Cc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)nc1 ZINC000594736722 360370906 /nfs/dbraw/zinc/37/09/06/360370906.db2.gz PUAJCPUERFUYOJ-OLZOCXBDSA-N 2 2 260.341 0.134 20 0 CCADLP Cc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)nc1 ZINC000594736722 360370909 /nfs/dbraw/zinc/37/09/09/360370909.db2.gz PUAJCPUERFUYOJ-OLZOCXBDSA-N 2 2 260.341 0.134 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CC(C)(C)N2CCOCC2)n1C ZINC000563442032 291230177 /nfs/dbraw/zinc/23/01/77/291230177.db2.gz VULYWYRHFQBEPG-UHFFFAOYSA-N 2 2 266.389 0.929 20 0 CCADLP COC[C@@]1(C(=O)OC)CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000595807886 360662594 /nfs/dbraw/zinc/66/25/94/360662594.db2.gz QMULRJIHTHVNKL-CQSZACIVSA-N 2 2 281.356 0.927 20 0 CCADLP COC[C@@]1(C(=O)OC)CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000595807886 360662599 /nfs/dbraw/zinc/66/25/99/360662599.db2.gz QMULRJIHTHVNKL-CQSZACIVSA-N 2 2 281.356 0.927 20 0 CCADLP O=C(c1ccc2[nH+]ccn2c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000563534833 291235830 /nfs/dbraw/zinc/23/58/30/291235830.db2.gz JYZSOIWERRUPGB-PWSUYJOCSA-N 2 2 256.309 0.768 20 0 CCADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)CC[NH3+])CC1 ZINC000178887542 189152802 /nfs/dbraw/zinc/15/28/02/189152802.db2.gz WIMRWHUPZALIOW-UHFFFAOYSA-N 2 2 279.388 0.030 20 0 CCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[N@@H+](C2CC2)C1 ZINC000563597467 291240357 /nfs/dbraw/zinc/24/03/57/291240357.db2.gz LVYGBUGNBODWAG-LBPRGKRZSA-N 2 2 262.357 0.826 20 0 CCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[N@H+](C2CC2)C1 ZINC000563597467 291240359 /nfs/dbraw/zinc/24/03/59/291240359.db2.gz LVYGBUGNBODWAG-LBPRGKRZSA-N 2 2 262.357 0.826 20 0 CCADLP CC(C)=CCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000563593729 291240081 /nfs/dbraw/zinc/24/00/81/291240081.db2.gz QKXAYHWSLRJXDF-LBPRGKRZSA-N 2 2 254.378 0.627 20 0 CCADLP CC(C)=CCCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000563593729 291240084 /nfs/dbraw/zinc/24/00/84/291240084.db2.gz QKXAYHWSLRJXDF-LBPRGKRZSA-N 2 2 254.378 0.627 20 0 CCADLP C[C@@H](C[NH3+])N(C)C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000179202942 189177469 /nfs/dbraw/zinc/17/74/69/189177469.db2.gz GNMVTFOJHBXQKE-JTQLQIEISA-N 2 2 259.313 0.687 20 0 CCADLP [NH3+][C@H](CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C1CC1 ZINC000563601726 291240736 /nfs/dbraw/zinc/24/07/36/291240736.db2.gz HGQJRMXNOLMUPM-ZIAGYGMSSA-N 2 2 290.367 0.982 20 0 CCADLP CS[C@H](C)CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000596501107 360910523 /nfs/dbraw/zinc/91/05/23/360910523.db2.gz BOUPTYIXKUCAIS-GFCCVEGCSA-N 2 2 290.477 0.921 20 0 CCADLP CS[C@H](C)CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000596501107 360910526 /nfs/dbraw/zinc/91/05/26/360910526.db2.gz BOUPTYIXKUCAIS-GFCCVEGCSA-N 2 2 290.477 0.921 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000563636483 291244229 /nfs/dbraw/zinc/24/42/29/291244229.db2.gz MAGQFKIIFGMABG-UHFFFAOYSA-N 2 2 264.373 0.811 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000563636483 291244232 /nfs/dbraw/zinc/24/42/32/291244232.db2.gz MAGQFKIIFGMABG-UHFFFAOYSA-N 2 2 264.373 0.811 20 0 CCADLP C[C@H](CC(=O)N1CCCO[C@@H](C[NH3+])C1)n1cc[nH+]c1 ZINC000563632271 291243660 /nfs/dbraw/zinc/24/36/60/291243660.db2.gz ZGKLFVUBIDKYBD-NEPJUHHUSA-N 2 2 266.345 0.410 20 0 CCADLP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000563709696 291248205 /nfs/dbraw/zinc/24/82/05/291248205.db2.gz YYYHNKYYUXWULL-NWDGAFQWSA-N 2 2 278.356 0.493 20 0 CCADLP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000563709696 291248206 /nfs/dbraw/zinc/24/82/06/291248206.db2.gz YYYHNKYYUXWULL-NWDGAFQWSA-N 2 2 278.356 0.493 20 0 CCADLP COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000597155077 361017580 /nfs/dbraw/zinc/01/75/80/361017580.db2.gz DTHLEYBWTXFNBG-PWSUYJOCSA-N 2 2 267.329 0.084 20 0 CCADLP COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000597155077 361017585 /nfs/dbraw/zinc/01/75/85/361017585.db2.gz DTHLEYBWTXFNBG-PWSUYJOCSA-N 2 2 267.329 0.084 20 0 CCADLP COC(=O)[C@@H]1OCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000597187112 361026716 /nfs/dbraw/zinc/02/67/16/361026716.db2.gz KROJHLPOIZSTAC-QWHCGFSZSA-N 2 2 268.357 0.533 20 0 CCADLP C[N@H+](Cc1cccc2[nH+]ccn21)CC(C)(CO)CO ZINC000180313808 189249554 /nfs/dbraw/zinc/24/95/54/189249554.db2.gz CQMBNYCONVNCDH-UHFFFAOYSA-N 2 2 263.341 0.757 20 0 CCADLP C[N@@H+](Cc1cccc2[nH+]ccn21)CC(C)(CO)CO ZINC000180313808 189249555 /nfs/dbraw/zinc/24/95/55/189249555.db2.gz CQMBNYCONVNCDH-UHFFFAOYSA-N 2 2 263.341 0.757 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@H]2CC=CCC2)[C@@H](C[NH3+])C1 ZINC000563945468 291259855 /nfs/dbraw/zinc/25/98/55/291259855.db2.gz MRHYUCHKAXPLKU-STQMWFEESA-N 2 2 266.389 0.627 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@H]2CC=CCC2)[C@@H](C[NH3+])C1 ZINC000563945468 291259858 /nfs/dbraw/zinc/25/98/58/291259858.db2.gz MRHYUCHKAXPLKU-STQMWFEESA-N 2 2 266.389 0.627 20 0 CCADLP CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000564159545 291268061 /nfs/dbraw/zinc/26/80/61/291268061.db2.gz NGVIXJPZXFNVGH-UHFFFAOYSA-N 2 2 289.339 0.293 20 0 CCADLP O=C(N1CCC[C@@H](c2[nH]cc[nH+]2)C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000564213292 291270377 /nfs/dbraw/zinc/27/03/77/291270377.db2.gz HXYJFEHSDIKVBE-GYSYKLTISA-N 2 2 260.341 0.868 20 0 CCADLP Cc1nc(NC2CC[NH+](CC(N)=O)CC2)c(C)c(C)[nH+]1 ZINC000301676890 201131528 /nfs/dbraw/zinc/13/15/28/201131528.db2.gz HVBRFFAUXCIMPZ-UHFFFAOYSA-N 2 2 277.372 0.763 20 0 CCADLP C[C@H](CNC(=O)CC[C@H]1CCC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000621653362 366818231 /nfs/dbraw/zinc/81/82/31/366818231.db2.gz WFZXNISHQMOFJV-HUUCEWRRSA-N 2 2 296.459 0.518 20 0 CCADLP C[N@@H+]1CCN(C(=O)C[C@H]([NH3+])Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000564309010 291273714 /nfs/dbraw/zinc/27/37/14/291273714.db2.gz YRMRPATZWZFJNG-CABCVRRESA-N 3 2 290.411 0.048 20 0 CCADLP C[N@H+]1CCN(C(=O)C[C@H]([NH3+])Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000564309010 291273717 /nfs/dbraw/zinc/27/37/17/291273717.db2.gz YRMRPATZWZFJNG-CABCVRRESA-N 3 2 290.411 0.048 20 0 CCADLP c1cc2c(c(C[NH2+]C[C@H]3C[NH2+]CCCO3)c1)OCO2 ZINC000564305901 291273921 /nfs/dbraw/zinc/27/39/21/291273921.db2.gz QXMUNACTGQNLIG-GFCCVEGCSA-N 2 2 264.325 0.883 20 0 CCADLP C[N@@H+]1CCO[C@H]2CN(c3cc(NCC4CC4)[nH+]cn3)C[C@H]21 ZINC000301816334 201214476 /nfs/dbraw/zinc/21/44/76/201214476.db2.gz HBRPHSDSQGOLDV-OLZOCXBDSA-N 2 2 289.383 0.818 20 0 CCADLP C[N@H+]1CCO[C@H]2CN(c3cc(NCC4CC4)[nH+]cn3)C[C@H]21 ZINC000301816334 201214479 /nfs/dbraw/zinc/21/44/79/201214479.db2.gz HBRPHSDSQGOLDV-OLZOCXBDSA-N 2 2 289.383 0.818 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000599301411 361641276 /nfs/dbraw/zinc/64/12/76/361641276.db2.gz UYIYXHLKAKKFKM-HUUCEWRRSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH+]1CCOCC1 ZINC000599301411 361641278 /nfs/dbraw/zinc/64/12/78/361641278.db2.gz UYIYXHLKAKKFKM-HUUCEWRRSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000599311600 361648668 /nfs/dbraw/zinc/64/86/68/361648668.db2.gz XKYZJQJXXXGPGT-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC000599311600 361648672 /nfs/dbraw/zinc/64/86/72/361648672.db2.gz XKYZJQJXXXGPGT-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP CC(=O)[C@@H](NC(=O)C[NH2+][C@](C)(C[NH3+])C1CC1)C(C)C ZINC000564656953 291291641 /nfs/dbraw/zinc/29/16/41/291291641.db2.gz OVJMPYHXUICWCX-UONOGXRCSA-N 2 2 269.389 0.433 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)NC(=O)NC1CCCC1 ZINC000564717725 291294889 /nfs/dbraw/zinc/29/48/89/291294889.db2.gz KHEQVZRBISESJM-UHIISALHSA-N 2 2 296.415 0.731 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000564798846 291301223 /nfs/dbraw/zinc/30/12/23/291301223.db2.gz XCUWHROCDQQNRZ-DTWKUNHWSA-N 2 2 280.328 0.271 20 0 CCADLP C[C@@H]1C[N@H+](Cc2nnnn2-c2ccccc2)C[C@H]1C[NH3+] ZINC000631843895 370709482 /nfs/dbraw/zinc/70/94/82/370709482.db2.gz SZJCSURSQONTMF-VXGBXAGGSA-N 2 2 272.356 0.689 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2nnnn2-c2ccccc2)C[C@H]1C[NH3+] ZINC000631843895 370709486 /nfs/dbraw/zinc/70/94/86/370709486.db2.gz SZJCSURSQONTMF-VXGBXAGGSA-N 2 2 272.356 0.689 20 0 CCADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCC(c2ccccc2)=N1 ZINC000613209870 364162195 /nfs/dbraw/zinc/16/21/95/364162195.db2.gz JHHGZNREQMQURM-GJZGRUSLSA-N 2 2 298.390 0.774 20 0 CCADLP Cc1csc(=O)n1CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000613210149 364162767 /nfs/dbraw/zinc/16/27/67/364162767.db2.gz LAHRUCWGXLCVBK-GHMZBOCLSA-N 2 2 253.371 0.369 20 0 CCADLP Cc1cc(NC(=O)CC[N@H+]2C[C@H]([NH3+])C[C@H]2C)no1 ZINC000631858765 370720986 /nfs/dbraw/zinc/72/09/86/370720986.db2.gz DJCUQXUNLKWKAA-PSASIEDQSA-N 2 2 252.318 0.155 20 0 CCADLP Cc1cc(NC(=O)CC[N@@H+]2C[C@H]([NH3+])C[C@H]2C)no1 ZINC000631858765 370720989 /nfs/dbraw/zinc/72/09/89/370720989.db2.gz DJCUQXUNLKWKAA-PSASIEDQSA-N 2 2 252.318 0.155 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)NCC1CC1 ZINC000631886050 370736969 /nfs/dbraw/zinc/73/69/69/370736969.db2.gz DQGQICVCBVPQBA-CHWSQXEVSA-N 2 2 251.374 0.587 20 0 CCADLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)NCC1CC1 ZINC000631886050 370736974 /nfs/dbraw/zinc/73/69/74/370736974.db2.gz DQGQICVCBVPQBA-CHWSQXEVSA-N 2 2 251.374 0.587 20 0 CCADLP C(CN1CCOCC1)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631888929 370737601 /nfs/dbraw/zinc/73/76/01/370737601.db2.gz DIBHGEKYMKUWFG-LSDHHAIUSA-N 2 2 267.417 0.783 20 0 CCADLP C(CN1CCOCC1)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631888929 370737604 /nfs/dbraw/zinc/73/76/04/370737604.db2.gz DIBHGEKYMKUWFG-LSDHHAIUSA-N 2 2 267.417 0.783 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)N1CCCC1 ZINC000631891293 370741479 /nfs/dbraw/zinc/74/14/79/370741479.db2.gz XEDVYDYGKGLRAW-OLZOCXBDSA-N 2 2 251.374 0.683 20 0 CCADLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)N1CCCC1 ZINC000631891293 370741481 /nfs/dbraw/zinc/74/14/81/370741481.db2.gz XEDVYDYGKGLRAW-OLZOCXBDSA-N 2 2 251.374 0.683 20 0 CCADLP COCCCCC[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000564848505 291306843 /nfs/dbraw/zinc/30/68/43/291306843.db2.gz XTVWTVSEDLEQIE-KKUMJFAQSA-N 2 2 288.432 0.863 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000613662768 364330513 /nfs/dbraw/zinc/33/05/13/364330513.db2.gz GABXHVAYCKJSAV-ZIAGYGMSSA-N 2 2 295.427 0.840 20 0 CCADLP [NH3+][C@@]12CCC[C@H]1CN(C(=O)c1ccc(-n3cc[nH+]c3)nn1)C2 ZINC000621693536 366840195 /nfs/dbraw/zinc/84/01/95/366840195.db2.gz XMPDGQHCOULTQL-XHDPSFHLSA-N 2 2 298.350 0.616 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000614034648 364467061 /nfs/dbraw/zinc/46/70/61/364467061.db2.gz ZKEOAAUNNPDPSG-LLVKDONJSA-N 2 2 262.357 0.752 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000614034648 364467067 /nfs/dbraw/zinc/46/70/67/364467067.db2.gz ZKEOAAUNNPDPSG-LLVKDONJSA-N 2 2 262.357 0.752 20 0 CCADLP CC1(C)C[NH+](CC(=O)N2CC[C@H]([NH+]3CCC3)[C@H](F)C2)C1 ZINC000614090532 364499941 /nfs/dbraw/zinc/49/99/41/364499941.db2.gz PACRSLRJIYYJIL-OLZOCXBDSA-N 2 2 283.391 0.973 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000614103430 364504464 /nfs/dbraw/zinc/50/44/64/364504464.db2.gz BQZPAEKKUWQSJZ-CHWSQXEVSA-N 2 2 280.347 0.836 20 0 CCADLP CCn1nccc1CC[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000621776896 366863249 /nfs/dbraw/zinc/86/32/49/366863249.db2.gz ZLJAXZYECBSVEW-LSDHHAIUSA-N 2 2 288.399 0.606 20 0 CCADLP CCn1nccc1CC[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000621776896 366863254 /nfs/dbraw/zinc/86/32/54/366863254.db2.gz ZLJAXZYECBSVEW-LSDHHAIUSA-N 2 2 288.399 0.606 20 0 CCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C1([NH+](C)C)CC1 ZINC000614178640 364522043 /nfs/dbraw/zinc/52/20/43/364522043.db2.gz NCZFAHPJYIWIEL-UHFFFAOYSA-N 2 2 283.416 0.650 20 0 CCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C1([NH+](C)C)CC1 ZINC000614178640 364522050 /nfs/dbraw/zinc/52/20/50/364522050.db2.gz NCZFAHPJYIWIEL-UHFFFAOYSA-N 2 2 283.416 0.650 20 0 CCADLP Cc1cc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)ccn1 ZINC000621775813 366863763 /nfs/dbraw/zinc/86/37/63/366863763.db2.gz ZNANWBWSAQBTSF-HNNXBMFYSA-N 2 2 288.395 0.786 20 0 CCADLP Cc1cc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)ccn1 ZINC000621775813 366863765 /nfs/dbraw/zinc/86/37/65/366863765.db2.gz ZNANWBWSAQBTSF-HNNXBMFYSA-N 2 2 288.395 0.786 20 0 CCADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+]([C@H]1CCN(CC(F)(F)F)C1=O)C2 ZINC000621781302 366865250 /nfs/dbraw/zinc/86/52/50/366865250.db2.gz BXOCGLBJYUFRCT-SCVCMEIPSA-N 2 2 291.317 0.963 20 0 CCADLP [NH3+][C@]12CCC[C@@H]1C[N@H+]([C@H]1CCN(CC(F)(F)F)C1=O)C2 ZINC000621781302 366865254 /nfs/dbraw/zinc/86/52/54/366865254.db2.gz BXOCGLBJYUFRCT-SCVCMEIPSA-N 2 2 291.317 0.963 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]([NH3+])c2cscn2)C[C@@H]1C ZINC000564924189 291317060 /nfs/dbraw/zinc/31/70/60/291317060.db2.gz JCWQEDPBFPRVIU-JBLDHEPKSA-N 2 2 298.412 0.056 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]([NH3+])c2cscn2)C[C@@H]1C ZINC000564924189 291317061 /nfs/dbraw/zinc/31/70/61/291317061.db2.gz JCWQEDPBFPRVIU-JBLDHEPKSA-N 2 2 298.412 0.056 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000614446765 364607559 /nfs/dbraw/zinc/60/75/59/364607559.db2.gz IXQUXAGZGIVDEJ-CQSZACIVSA-N 2 2 292.383 0.596 20 0 CCADLP C[C@H](CC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)n1cc[nH+]c1 ZINC000614514169 364642652 /nfs/dbraw/zinc/64/26/52/364642652.db2.gz JKJSHPCETXUXCN-ZIAGYGMSSA-N 2 2 291.399 0.340 20 0 CCADLP C[C@H](CC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2)n1cc[nH+]c1 ZINC000614514169 364642653 /nfs/dbraw/zinc/64/26/53/364642653.db2.gz JKJSHPCETXUXCN-ZIAGYGMSSA-N 2 2 291.399 0.340 20 0 CCADLP O=C(CCOC1C[NH2+]C1)NCc1cn2c([nH+]1)CCCC2 ZINC000349033480 283788200 /nfs/dbraw/zinc/78/82/00/283788200.db2.gz ZYZAIHLTDWUILH-UHFFFAOYSA-N 2 2 278.356 0.214 20 0 CCADLP C[C@@]1(F)C[NH2+]CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)C1 ZINC000564957502 291326152 /nfs/dbraw/zinc/32/61/52/291326152.db2.gz RCTXWKQYOWRDAN-IINYFYTJSA-N 2 2 295.362 0.260 20 0 CCADLP CC[C@H](O)[C@H](CC)[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000564975779 291329087 /nfs/dbraw/zinc/32/90/87/291329087.db2.gz MSQRNSNBELDZQM-MRLBHPIUSA-N 2 2 288.432 0.596 20 0 CCADLP C[NH+](C)CC1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000615506407 364986916 /nfs/dbraw/zinc/98/69/16/364986916.db2.gz PFEVQWBSFXJFHF-HNNXBMFYSA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+](C)CC1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000615506407 364986923 /nfs/dbraw/zinc/98/69/23/364986923.db2.gz PFEVQWBSFXJFHF-HNNXBMFYSA-N 2 2 295.427 0.650 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615552074 365004535 /nfs/dbraw/zinc/00/45/35/365004535.db2.gz BRPYPQDDOONOAO-AWEZNQCLSA-N 2 2 283.416 0.650 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615552074 365004540 /nfs/dbraw/zinc/00/45/40/365004540.db2.gz BRPYPQDDOONOAO-AWEZNQCLSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@@H](CC(=O)NC[C@](C)(O)C[NH+](C)C)n1cc[nH+]c1 ZINC000565076691 291343263 /nfs/dbraw/zinc/34/32/63/291343263.db2.gz LTVXDWBJNXWKLR-AAEUAGOBSA-N 2 2 268.361 0.263 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCOC2(CCCC2)C1 ZINC000565155264 291348125 /nfs/dbraw/zinc/34/81/25/291348125.db2.gz CXKCQEHVQQXECQ-AWEZNQCLSA-N 2 2 286.416 0.571 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCOC2(CCCC2)C1 ZINC000565155264 291348127 /nfs/dbraw/zinc/34/81/27/291348127.db2.gz CXKCQEHVQQXECQ-AWEZNQCLSA-N 2 2 286.416 0.571 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCOC2(CCCC2)C1 ZINC000565155264 291348129 /nfs/dbraw/zinc/34/81/29/291348129.db2.gz CXKCQEHVQQXECQ-AWEZNQCLSA-N 2 2 286.416 0.571 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCOC2(CCCC2)C1 ZINC000565155264 291348132 /nfs/dbraw/zinc/34/81/32/291348132.db2.gz CXKCQEHVQQXECQ-AWEZNQCLSA-N 2 2 286.416 0.571 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621784380 366867795 /nfs/dbraw/zinc/86/77/95/366867795.db2.gz OCECBCCWRUMAGV-RDBSUJKOSA-N 2 2 253.390 0.520 20 0 CCADLP CNC(=O)N[C@H]1CC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000565163181 291350248 /nfs/dbraw/zinc/35/02/48/291350248.db2.gz KJSDRCBLFPXRLY-NSHDSACASA-N 2 2 265.361 0.356 20 0 CCADLP CNC(=O)N[C@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000565163181 291350250 /nfs/dbraw/zinc/35/02/50/291350250.db2.gz KJSDRCBLFPXRLY-NSHDSACASA-N 2 2 265.361 0.356 20 0 CCADLP COCCN(CC[NH+](C)C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000565180363 291353548 /nfs/dbraw/zinc/35/35/48/291353548.db2.gz JBMJKIKVBQXOLE-GFCCVEGCSA-N 2 2 282.388 0.625 20 0 CCADLP COCCN(CC[NH+](C)C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000565180363 291353550 /nfs/dbraw/zinc/35/35/50/291353550.db2.gz JBMJKIKVBQXOLE-GFCCVEGCSA-N 2 2 282.388 0.625 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000565183260 291353867 /nfs/dbraw/zinc/35/38/67/291353867.db2.gz VYAPYIJSZYBJGW-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000565183260 291353869 /nfs/dbraw/zinc/35/38/69/291353869.db2.gz VYAPYIJSZYBJGW-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000565183260 291353870 /nfs/dbraw/zinc/35/38/70/291353870.db2.gz VYAPYIJSZYBJGW-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000565183260 291353871 /nfs/dbraw/zinc/35/38/71/291353871.db2.gz VYAPYIJSZYBJGW-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@H](C(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO)[NH+](C)C ZINC000616866490 365464783 /nfs/dbraw/zinc/46/47/83/365464783.db2.gz CHQDBHJRXUJTQH-NEPJUHHUSA-N 2 2 296.415 0.936 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000621858764 366897826 /nfs/dbraw/zinc/89/78/26/366897826.db2.gz CQSQPNNTNJGMJL-LLVKDONJSA-N 2 2 280.372 0.212 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000565200972 291358084 /nfs/dbraw/zinc/35/80/84/291358084.db2.gz SQJYYGUWRBBRBB-GXTWGEPZSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000565200972 291358086 /nfs/dbraw/zinc/35/80/86/291358086.db2.gz SQJYYGUWRBBRBB-GXTWGEPZSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000565200972 291358087 /nfs/dbraw/zinc/35/80/87/291358087.db2.gz SQJYYGUWRBBRBB-GXTWGEPZSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000565200972 291358088 /nfs/dbraw/zinc/35/80/88/291358088.db2.gz SQJYYGUWRBBRBB-GXTWGEPZSA-N 2 2 294.399 0.551 20 0 CCADLP Cc1cc(NC(=O)CC[N@@H+]2CC3CCC2(C[NH3+])CC3)no1 ZINC000565220842 291362784 /nfs/dbraw/zinc/36/27/84/291362784.db2.gz FXCBMGUZVKTQCF-UHFFFAOYSA-N 2 2 292.383 0.937 20 0 CCADLP Cc1cc(NC(=O)CC[N@H+]2CC3CCC2(C[NH3+])CC3)no1 ZINC000565220842 291362786 /nfs/dbraw/zinc/36/27/86/291362786.db2.gz FXCBMGUZVKTQCF-UHFFFAOYSA-N 2 2 292.383 0.937 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)CN1CC[NH+](C)CC1 ZINC000622081724 367012968 /nfs/dbraw/zinc/01/29/68/367012968.db2.gz BGSACYWTBJMJNE-LBPRGKRZSA-N 2 2 279.388 0.328 20 0 CCADLP Cc1nc(N2CCN(C(=O)CCCC[NH3+])CC2)cc[nH+]1 ZINC000566196654 291373531 /nfs/dbraw/zinc/37/35/31/291373531.db2.gz UEOJTICTEVLLGH-UHFFFAOYSA-N 2 2 277.372 0.563 20 0 CCADLP C[C@@H](C(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1)C1C[NH2+]C1 ZINC000566197528 291373750 /nfs/dbraw/zinc/37/37/50/291373750.db2.gz HQVBRVWZWKPCLY-DOMZBBRYSA-N 2 2 295.427 0.411 20 0 CCADLP C[C@@H](C(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1)C1C[NH2+]C1 ZINC000566197528 291373751 /nfs/dbraw/zinc/37/37/51/291373751.db2.gz HQVBRVWZWKPCLY-DOMZBBRYSA-N 2 2 295.427 0.411 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000566198924 291374117 /nfs/dbraw/zinc/37/41/17/291374117.db2.gz ITWFXXCPWMDVDF-UHFFFAOYSA-N 2 2 288.355 0.780 20 0 CCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Cc1c[nH+]cn1C ZINC000622729253 367362298 /nfs/dbraw/zinc/36/22/98/367362298.db2.gz VAZKCVJLXDOLGV-NSHDSACASA-N 2 2 250.346 0.515 20 0 CCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)Cc1c[nH+]cn1C ZINC000622729253 367362301 /nfs/dbraw/zinc/36/23/01/367362301.db2.gz VAZKCVJLXDOLGV-NSHDSACASA-N 2 2 250.346 0.515 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623180107 367467312 /nfs/dbraw/zinc/46/73/12/367467312.db2.gz RTHXDEUIDREPJW-HBNTYKKESA-N 2 2 250.346 0.688 20 0 CCADLP CN(CC(C)(C)[NH3+])C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623180321 367467412 /nfs/dbraw/zinc/46/74/12/367467412.db2.gz ZYKNVYGUJKJAEF-JTQLQIEISA-N 2 2 250.346 0.641 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2CCc3n[nH]cc3C2)n1C ZINC000623243270 367486945 /nfs/dbraw/zinc/48/69/45/367486945.db2.gz ZBPQUUQYIJGFIX-UHFFFAOYSA-N 2 2 260.345 0.768 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2CCc3n[nH]cc3C2)n1C ZINC000623243270 367486951 /nfs/dbraw/zinc/48/69/51/367486951.db2.gz ZBPQUUQYIJGFIX-UHFFFAOYSA-N 2 2 260.345 0.768 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623178267 367466362 /nfs/dbraw/zinc/46/63/62/367466362.db2.gz JILJYAWFQNSTKX-MNOVXSKESA-N 2 2 250.346 0.560 20 0 CCADLP CC[C@@H](C(=O)N[C@@H]1CCn2c[nH+]cc2C1)[NH+](C)C ZINC000623307599 367529071 /nfs/dbraw/zinc/52/90/71/367529071.db2.gz KESZKUNLTMRSQC-PWSUYJOCSA-N 2 2 250.346 0.654 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623262268 367500756 /nfs/dbraw/zinc/50/07/56/367500756.db2.gz VIVUNDQIOPNWDW-JTQLQIEISA-N 2 2 271.324 0.699 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623302560 367525220 /nfs/dbraw/zinc/52/52/20/367525220.db2.gz JJRVTWZPCMYUHG-NSHDSACASA-N 2 2 250.346 0.656 20 0 CCADLP C[N@@H+]1CC[C@@H]([NH2+]CCC[NH+]2CCC[C@H]2C(N)=O)CC1(C)C ZINC000623620094 367605091 /nfs/dbraw/zinc/60/50/91/367605091.db2.gz FOGTWRYGVXOMSV-KGLIPLIRSA-N 3 2 296.459 0.789 20 0 CCADLP C[N@H+]1CC[C@@H]([NH2+]CCC[NH+]2CCC[C@H]2C(N)=O)CC1(C)C ZINC000623620094 367605095 /nfs/dbraw/zinc/60/50/95/367605095.db2.gz FOGTWRYGVXOMSV-KGLIPLIRSA-N 3 2 296.459 0.789 20 0 CCADLP C[NH+]1CC[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CC1(C)C ZINC000623620094 367605101 /nfs/dbraw/zinc/60/51/01/367605101.db2.gz FOGTWRYGVXOMSV-KGLIPLIRSA-N 3 2 296.459 0.789 20 0 CCADLP C[NH+]1CC[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CC1(C)C ZINC000623620094 367605107 /nfs/dbraw/zinc/60/51/07/367605107.db2.gz FOGTWRYGVXOMSV-KGLIPLIRSA-N 3 2 296.459 0.789 20 0 CCADLP CC[C@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CCO1 ZINC000623619692 367606278 /nfs/dbraw/zinc/60/62/78/367606278.db2.gz SFUILSBVGJZNRQ-RDBSUJKOSA-N 2 2 283.416 0.873 20 0 CCADLP CC[C@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CCO1 ZINC000623619692 367606280 /nfs/dbraw/zinc/60/62/80/367606280.db2.gz SFUILSBVGJZNRQ-RDBSUJKOSA-N 2 2 283.416 0.873 20 0 CCADLP CC[NH+]1CCN(CCCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC000624069983 367744492 /nfs/dbraw/zinc/74/44/92/367744492.db2.gz BFLXLINEBMZGQI-UHFFFAOYSA-N 2 2 293.415 0.335 20 0 CCADLP CCN1CC[NH+](CCCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC000624069983 367744495 /nfs/dbraw/zinc/74/44/95/367744495.db2.gz BFLXLINEBMZGQI-UHFFFAOYSA-N 2 2 293.415 0.335 20 0 CCADLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)[C@H]1CCOC1 ZINC000624085225 367747395 /nfs/dbraw/zinc/74/73/95/367747395.db2.gz FVCUKUVYVFFEFA-MJBXVCDLSA-N 2 2 283.416 0.731 20 0 CCADLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)[C@H]1CCOC1 ZINC000624085225 367747408 /nfs/dbraw/zinc/74/74/08/367747408.db2.gz FVCUKUVYVFFEFA-MJBXVCDLSA-N 2 2 283.416 0.731 20 0 CCADLP CCC[NH+]1CCC([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000624084854 367748222 /nfs/dbraw/zinc/74/82/22/367748222.db2.gz SPHAJXJRSHCDDM-HNNXBMFYSA-N 3 2 296.459 0.790 20 0 CCADLP CCC[NH+]1CCC([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000624084854 367748223 /nfs/dbraw/zinc/74/82/23/367748223.db2.gz SPHAJXJRSHCDDM-HNNXBMFYSA-N 3 2 296.459 0.790 20 0 CCADLP COC1([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CCC1 ZINC000624086656 367749947 /nfs/dbraw/zinc/74/99/47/367749947.db2.gz QCKBASSSZVYGHY-OLZOCXBDSA-N 2 2 283.416 0.873 20 0 CCADLP COC1([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CCC1 ZINC000624086656 367749948 /nfs/dbraw/zinc/74/99/48/367749948.db2.gz QCKBASSSZVYGHY-OLZOCXBDSA-N 2 2 283.416 0.873 20 0 CCADLP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H]2CCCS(=O)(=O)C2)C1 ZINC000624122623 367760792 /nfs/dbraw/zinc/76/07/92/367760792.db2.gz WZPXJUUXCKHMMR-STQMWFEESA-N 2 2 274.430 0.885 20 0 CCADLP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCCS(=O)(=O)C2)C1 ZINC000624122623 367760796 /nfs/dbraw/zinc/76/07/96/367760796.db2.gz WZPXJUUXCKHMMR-STQMWFEESA-N 2 2 274.430 0.885 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1COCCN1C ZINC000624174074 367774952 /nfs/dbraw/zinc/77/49/52/367774952.db2.gz QPMNJQYTWJLTPQ-BNOWGMLFSA-N 2 2 253.390 0.389 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1COCCN1C ZINC000624174074 367774955 /nfs/dbraw/zinc/77/49/55/367774955.db2.gz QPMNJQYTWJLTPQ-BNOWGMLFSA-N 2 2 253.390 0.389 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)NC[C@H]2CCC[N@@H+]2C)c1 ZINC000624188594 367783657 /nfs/dbraw/zinc/78/36/57/367783657.db2.gz XSBDIDFFEHRIQD-GFCCVEGCSA-N 2 2 265.361 0.356 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)NC[C@H]2CCC[N@H+]2C)c1 ZINC000624188594 367783664 /nfs/dbraw/zinc/78/36/64/367783664.db2.gz XSBDIDFFEHRIQD-GFCCVEGCSA-N 2 2 265.361 0.356 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000566436944 291405622 /nfs/dbraw/zinc/40/56/22/291405622.db2.gz HUDTZMWKSXRUAC-NSHDSACASA-N 2 2 250.346 0.648 20 0 CCADLP O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)[C@H]1CCC[NH+]1C1CC1 ZINC000343327727 284001176 /nfs/dbraw/zinc/00/11/76/284001176.db2.gz BJWCTJZLHHCCLK-LSDHHAIUSA-N 2 2 293.411 0.593 20 0 CCADLP O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)[C@H]1CCC[NH+]1C1CC1 ZINC000343327727 284001178 /nfs/dbraw/zinc/00/11/78/284001178.db2.gz BJWCTJZLHHCCLK-LSDHHAIUSA-N 2 2 293.411 0.593 20 0 CCADLP O=C(NC[C@H]1C[NH+](C2CC2)CCO1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000343327727 284001179 /nfs/dbraw/zinc/00/11/79/284001179.db2.gz BJWCTJZLHHCCLK-LSDHHAIUSA-N 2 2 293.411 0.593 20 0 CCADLP O=C(NC[C@H]1C[NH+](C2CC2)CCO1)[C@H]1CCC[N@H+]1C1CC1 ZINC000343327727 284001180 /nfs/dbraw/zinc/00/11/80/284001180.db2.gz BJWCTJZLHHCCLK-LSDHHAIUSA-N 2 2 293.411 0.593 20 0 CCADLP O[C@@H]1CC[N@H+](CCNc2cc[nH+]cc2Br)C1 ZINC000624678888 367951472 /nfs/dbraw/zinc/95/14/72/367951472.db2.gz GCXSCYCOLJFZSW-SECBINFHSA-N 2 2 286.173 0.745 20 0 CCADLP O[C@@H]1CC[N@@H+](CCNc2cc[nH+]cc2Br)C1 ZINC000624678888 367951475 /nfs/dbraw/zinc/95/14/75/367951475.db2.gz GCXSCYCOLJFZSW-SECBINFHSA-N 2 2 286.173 0.745 20 0 CCADLP COCC1(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000656199783 412764480 /nfs/dbraw/zinc/76/44/80/412764480.db2.gz DAXXQOVOEPMDGF-OLZOCXBDSA-N 2 2 254.374 0.770 20 0 CCADLP Cc1cc[nH+]cc1N1CC[NH+](CCc2cn(C)nn2)CC1 ZINC000625389113 368177219 /nfs/dbraw/zinc/17/72/19/368177219.db2.gz VSMXLHZWPXSDFL-UHFFFAOYSA-N 2 2 286.383 0.883 20 0 CCADLP CC1([NH+]2CCOCC2)CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC000625960517 368375614 /nfs/dbraw/zinc/37/56/14/368375614.db2.gz IIHCEJRWOHYJIW-ZDUSSCGKSA-N 2 2 281.400 0.452 20 0 CCADLP Cc1noc([C@H]2OCC[C@H]2[NH2+]C[C@H]2CCC[N@H+]2C)n1 ZINC000626143331 368456181 /nfs/dbraw/zinc/45/61/81/368456181.db2.gz MNBMVARHZPWLIN-UTUOFQBUSA-N 2 2 266.345 0.892 20 0 CCADLP Cc1noc([C@H]2OCC[C@H]2[NH2+]C[C@H]2CCC[N@@H+]2C)n1 ZINC000626143331 368456186 /nfs/dbraw/zinc/45/61/86/368456186.db2.gz MNBMVARHZPWLIN-UTUOFQBUSA-N 2 2 266.345 0.892 20 0 CCADLP COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)[C@@H]1C ZINC000351629306 284059002 /nfs/dbraw/zinc/05/90/02/284059002.db2.gz PCYMVDNGFQUDSC-KGYLQXTDSA-N 2 2 270.373 0.325 20 0 CCADLP COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)[C@@H]1C ZINC000351629306 284059005 /nfs/dbraw/zinc/05/90/05/284059005.db2.gz PCYMVDNGFQUDSC-KGYLQXTDSA-N 2 2 270.373 0.325 20 0 CCADLP COC(=O)[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)[C@@H]1C ZINC000351629306 284059007 /nfs/dbraw/zinc/05/90/07/284059007.db2.gz PCYMVDNGFQUDSC-KGYLQXTDSA-N 2 2 270.373 0.325 20 0 CCADLP COC(=O)[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)[C@@H]1C ZINC000351629306 284059010 /nfs/dbraw/zinc/05/90/10/284059010.db2.gz PCYMVDNGFQUDSC-KGYLQXTDSA-N 2 2 270.373 0.325 20 0 CCADLP CCC1([NH+](C)C)CC[NH+](CCS(=O)(=O)N(C)C)CC1 ZINC000640016332 376193298 /nfs/dbraw/zinc/19/32/98/376193298.db2.gz YTCHRLHZBFAXTK-UHFFFAOYSA-N 2 2 291.461 0.684 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC1([NH3+])CCOCC1 ZINC000626939584 368690090 /nfs/dbraw/zinc/69/00/90/368690090.db2.gz JTCYZPCWICNXLV-NSHDSACASA-N 2 2 281.360 0.079 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000626934597 368686348 /nfs/dbraw/zinc/68/63/48/368686348.db2.gz JTIUPENHTHDHLD-FRRDWIJNSA-N 2 2 284.404 0.147 20 0 CCADLP Cn1cc[nH+]c1CNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000632189930 370914247 /nfs/dbraw/zinc/91/42/47/370914247.db2.gz SIDKXVQLSUIYPB-UHFFFAOYSA-N 2 2 286.401 0.325 20 0 CCADLP C[C@H]1C[C@H](NC(=O)N[C@@H]2CC[NH2+][C@H]2C)c2[nH+]ccn21 ZINC000627052738 368758712 /nfs/dbraw/zinc/75/87/12/368758712.db2.gz STTKESYUTDCMRT-MMWGEVLESA-N 2 2 263.345 0.939 20 0 CCADLP C[C@H]1CC[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CC2)C[NH2+]1 ZINC000627021661 368744235 /nfs/dbraw/zinc/74/42/35/368744235.db2.gz ZLPHMVFRUPDGTD-QWHCGFSZSA-N 2 2 296.415 0.291 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000627041027 368752179 /nfs/dbraw/zinc/75/21/79/368752179.db2.gz ZDHCAGWXPNPJCK-JBLDHEPKSA-N 2 2 277.372 0.707 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000627041027 368752180 /nfs/dbraw/zinc/75/21/80/368752180.db2.gz ZDHCAGWXPNPJCK-JBLDHEPKSA-N 2 2 277.372 0.707 20 0 CCADLP C[C@H](NC(=O)N[C@@H]1CC[NH2+][C@H]1C)c1[nH+]ccn1C ZINC000627118384 368810245 /nfs/dbraw/zinc/81/02/45/368810245.db2.gz ZGLMPZIMONYFEM-LPEHRKFASA-N 2 2 251.334 0.531 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCc2nccs2)C[C@@H](C)O1 ZINC000566909890 291446027 /nfs/dbraw/zinc/44/60/27/291446027.db2.gz QLLVUGFQQPPKGO-UPJWGTAASA-N 2 2 299.440 0.745 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627243631 368908160 /nfs/dbraw/zinc/90/81/60/368908160.db2.gz PGRCCVRXDCVKGH-XJFOESAGSA-N 2 2 296.415 0.241 20 0 CCADLP C[NH2+]CCOCCNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000627178638 368850605 /nfs/dbraw/zinc/85/06/05/368850605.db2.gz VERLVGFJLOKUCX-GFCCVEGCSA-N 2 2 295.387 0.535 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000627184154 368852690 /nfs/dbraw/zinc/85/26/90/368852690.db2.gz RQWXJGGBCMJUGX-CHWSQXEVSA-N 2 2 284.404 0.087 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000627184154 368852692 /nfs/dbraw/zinc/85/26/92/368852692.db2.gz RQWXJGGBCMJUGX-CHWSQXEVSA-N 2 2 284.404 0.087 20 0 CCADLP Cc1ncc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)o1 ZINC000628213698 369212567 /nfs/dbraw/zinc/21/25/67/369212567.db2.gz UMWYSTPNYGCOPS-UHFFFAOYSA-N 2 2 266.345 0.237 20 0 CCADLP Cc1c[nH]c(CN2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)[nH+]1 ZINC000628244068 369223623 /nfs/dbraw/zinc/22/36/23/369223623.db2.gz RIZLIYVYVXIOEN-LBPRGKRZSA-N 2 2 266.389 0.995 20 0 CCADLP Cc1c[nH]c(CN2CC[N@H+](CC(C)(C)O)C[C@@H]2C)[nH+]1 ZINC000628244068 369223627 /nfs/dbraw/zinc/22/36/27/369223627.db2.gz RIZLIYVYVXIOEN-LBPRGKRZSA-N 2 2 266.389 0.995 20 0 CCADLP Cc1c[nH]c(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)[nH+]1 ZINC000628351949 369247629 /nfs/dbraw/zinc/24/76/29/369247629.db2.gz SSERUEIZQLJNRH-CYBMUJFWSA-N 2 2 264.373 0.749 20 0 CCADLP Cc1c[nH]c(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)[nH+]1 ZINC000628351949 369247637 /nfs/dbraw/zinc/24/76/37/369247637.db2.gz SSERUEIZQLJNRH-CYBMUJFWSA-N 2 2 264.373 0.749 20 0 CCADLP COC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000330823173 203281317 /nfs/dbraw/zinc/28/13/17/203281317.db2.gz GQPIIFSYZCCCKB-GWCFXTLKSA-N 2 2 267.329 0.513 20 0 CCADLP COC(=O)[C@@](C)(O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000330823173 203281319 /nfs/dbraw/zinc/28/13/19/203281319.db2.gz GQPIIFSYZCCCKB-GWCFXTLKSA-N 2 2 267.329 0.513 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000262010992 284154681 /nfs/dbraw/zinc/15/46/81/284154681.db2.gz VAXWUXSBONMNRT-AGIUHOORSA-N 2 2 270.373 0.638 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000262010992 284154685 /nfs/dbraw/zinc/15/46/85/284154685.db2.gz VAXWUXSBONMNRT-AGIUHOORSA-N 2 2 270.373 0.638 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000628916918 369456259 /nfs/dbraw/zinc/45/62/59/369456259.db2.gz HILAHPTXSIINHM-GFCCVEGCSA-N 2 2 292.383 0.209 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000628916918 369456264 /nfs/dbraw/zinc/45/62/64/369456264.db2.gz HILAHPTXSIINHM-GFCCVEGCSA-N 2 2 292.383 0.209 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628916332 369457060 /nfs/dbraw/zinc/45/70/60/369457060.db2.gz XQTGBSDYTSYNJW-NSHDSACASA-N 2 2 278.356 0.208 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628916332 369457064 /nfs/dbraw/zinc/45/70/64/369457064.db2.gz XQTGBSDYTSYNJW-NSHDSACASA-N 2 2 278.356 0.208 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@@H+]1C ZINC000330913314 203384311 /nfs/dbraw/zinc/38/43/11/203384311.db2.gz RLYXUNFSLUHOCC-NEPJUHHUSA-N 2 2 250.346 0.872 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@H+]1C ZINC000330913314 203384314 /nfs/dbraw/zinc/38/43/14/203384314.db2.gz RLYXUNFSLUHOCC-NEPJUHHUSA-N 2 2 250.346 0.872 20 0 CCADLP O=S1(=O)CCCC[C@H]1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629575329 369717285 /nfs/dbraw/zinc/71/72/85/369717285.db2.gz RTDZTLYFBHKGJI-OLZOCXBDSA-N 2 2 290.429 0.000 20 0 CCADLP C[N@H+](CCOCC[NH3+])Cc1nc(CC(F)(F)F)no1 ZINC000629578132 369720878 /nfs/dbraw/zinc/72/08/78/369720878.db2.gz GTKOTPJDVVBXGI-UHFFFAOYSA-N 2 2 282.266 0.582 20 0 CCADLP C[N@@H+](CCOCC[NH3+])Cc1nc(CC(F)(F)F)no1 ZINC000629578132 369720883 /nfs/dbraw/zinc/72/08/83/369720883.db2.gz GTKOTPJDVVBXGI-UHFFFAOYSA-N 2 2 282.266 0.582 20 0 CCADLP CC(C)(C)CNC(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000629531494 369691845 /nfs/dbraw/zinc/69/18/45/369691845.db2.gz NGEACEWCSSGSPK-CYBMUJFWSA-N 2 2 282.432 0.128 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC000629546246 369699498 /nfs/dbraw/zinc/69/94/98/369699498.db2.gz GDMVHERADWWBBT-UONOGXRCSA-N 2 2 297.443 0.992 20 0 CCADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCN1CC[C@H](O)C1 ZINC000629556821 369706804 /nfs/dbraw/zinc/70/68/04/369706804.db2.gz ZWTHRYZXFYZANK-VNQPRFMTSA-N 2 2 277.412 0.601 20 0 CCADLP O[C@H](CNCc1c[nH+]c2n1CCCC2)C[NH+]1CCCC1 ZINC000629581129 369724638 /nfs/dbraw/zinc/72/46/38/369724638.db2.gz OADTXKNPUKBJIK-CQSZACIVSA-N 2 2 278.400 0.766 20 0 CCADLP COC[C@@H](C)OC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000629590464 369731217 /nfs/dbraw/zinc/73/12/17/369731217.db2.gz CKIOJRWXTLCWEG-UPJWGTAASA-N 2 2 260.378 0.083 20 0 CCADLP COC[C@@H](C)OC[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000629590464 369731220 /nfs/dbraw/zinc/73/12/20/369731220.db2.gz CKIOJRWXTLCWEG-UPJWGTAASA-N 2 2 260.378 0.083 20 0 CCADLP Cc1nc(N)c(CNC(=O)C[N@@H+](C)C2CCC2)c[nH+]1 ZINC000629991890 369877504 /nfs/dbraw/zinc/87/75/04/369877504.db2.gz JUOQZAYUNSCLCH-UHFFFAOYSA-N 2 2 263.345 0.298 20 0 CCADLP Cc1nc(N)c(CNC(=O)C[N@H+](C)C2CCC2)c[nH+]1 ZINC000629991890 369877505 /nfs/dbraw/zinc/87/75/05/369877505.db2.gz JUOQZAYUNSCLCH-UHFFFAOYSA-N 2 2 263.345 0.298 20 0 CCADLP C[C@H](O)[C@@H]1CCN(c2cc(N[C@@H]3CC[NH2+]C3)nc[nH+]2)C1 ZINC000630547745 370162052 /nfs/dbraw/zinc/16/20/52/370162052.db2.gz VVDMVVYRRJSRRX-QJPTWQEYSA-N 2 2 277.372 0.458 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCOC(C)(C)C2)CC[N@@H+]1C ZINC000630880178 370305108 /nfs/dbraw/zinc/30/51/08/370305108.db2.gz RMWNLAXMIJHPEZ-UONOGXRCSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCOC(C)(C)C2)CC[N@H+]1C ZINC000630880178 370305111 /nfs/dbraw/zinc/30/51/11/370305111.db2.gz RMWNLAXMIJHPEZ-UONOGXRCSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC[NH+]1C ZINC000630880178 370305115 /nfs/dbraw/zinc/30/51/15/370305115.db2.gz RMWNLAXMIJHPEZ-UONOGXRCSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC[NH+]1C ZINC000630880178 370305117 /nfs/dbraw/zinc/30/51/17/370305117.db2.gz RMWNLAXMIJHPEZ-UONOGXRCSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000631001002 370356337 /nfs/dbraw/zinc/35/63/37/370356337.db2.gz KXVWWAWCJPDXPJ-MXWKQRLJSA-N 2 2 251.334 0.403 20 0 CCADLP CC(C)n1ncnc1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000631050583 370368521 /nfs/dbraw/zinc/36/85/21/370368521.db2.gz VARVOSOPAMBSIT-UHFFFAOYSA-N 2 2 281.404 0.795 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccc(C(F)F)nc2)CC1 ZINC000631053665 370369682 /nfs/dbraw/zinc/36/96/82/370369682.db2.gz FVCYDKWFQIQHEI-UHFFFAOYSA-N 2 2 298.337 0.883 20 0 CCADLP Cc1nc(N2CCC[N@@H+](C(C)(C)C)CC2)nc(N)[nH+]1 ZINC000631083447 370380175 /nfs/dbraw/zinc/38/01/75/370380175.db2.gz QAPQIFISSVZZQI-UHFFFAOYSA-N 2 2 264.377 0.903 20 0 CCADLP Cc1nc(N2CCC[N@H+](C(C)(C)C)CC2)nc(N)[nH+]1 ZINC000631083447 370380178 /nfs/dbraw/zinc/38/01/78/370380178.db2.gz QAPQIFISSVZZQI-UHFFFAOYSA-N 2 2 264.377 0.903 20 0 CCADLP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)[C@@H](O)C(F)(F)F ZINC000631235821 370434159 /nfs/dbraw/zinc/43/41/59/370434159.db2.gz KIKWDYQCIVIDKU-VXNVDRBHSA-N 2 2 280.294 0.887 20 0 CCADLP Cc1nc(N2CCC3(CCC[N@H+]3C)CC2)nc(N)[nH+]1 ZINC000631193309 370417397 /nfs/dbraw/zinc/41/73/97/370417397.db2.gz XIMQZTCVDWQBRR-UHFFFAOYSA-N 2 2 262.361 0.657 20 0 CCADLP Cc1nc(N2CCC3(CCC[N@@H+]3C)CC2)nc(N)[nH+]1 ZINC000631193309 370417401 /nfs/dbraw/zinc/41/74/01/370417401.db2.gz XIMQZTCVDWQBRR-UHFFFAOYSA-N 2 2 262.361 0.657 20 0 CCADLP Cc1nc(N)nc(N2CCC3(CCC[N@H+]3C)CC2)[nH+]1 ZINC000631193309 370417405 /nfs/dbraw/zinc/41/74/05/370417405.db2.gz XIMQZTCVDWQBRR-UHFFFAOYSA-N 2 2 262.361 0.657 20 0 CCADLP Cc1nc(N)nc(N2CCC3(CCC[N@@H+]3C)CC2)[nH+]1 ZINC000631193309 370417410 /nfs/dbraw/zinc/41/74/10/370417410.db2.gz XIMQZTCVDWQBRR-UHFFFAOYSA-N 2 2 262.361 0.657 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@](O)(CC)C2)CC1 ZINC000640030325 376202194 /nfs/dbraw/zinc/20/21/94/376202194.db2.gz GLWBVLZTEGYQGG-ZBFHGGJFSA-N 2 2 297.443 0.776 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@](O)(CC)C2)CC1 ZINC000640030325 376202197 /nfs/dbraw/zinc/20/21/97/376202197.db2.gz GLWBVLZTEGYQGG-ZBFHGGJFSA-N 2 2 297.443 0.776 20 0 CCADLP C[C@H]1C[C@@H](NS(=O)(=O)CC2([NH+](C)C)CC2)c2[nH+]ccn21 ZINC000632417163 371050358 /nfs/dbraw/zinc/05/03/58/371050358.db2.gz PXYVLYACBKAMPF-WDEREUQCSA-N 2 2 298.412 0.903 20 0 CCADLP C[NH+](C)CCCS(=O)(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000632732684 371236696 /nfs/dbraw/zinc/23/66/96/371236696.db2.gz GGEFBESAANMYCH-UHFFFAOYSA-N 2 2 288.417 0.489 20 0 CCADLP O=C(Nc1ccc2[nH+]ccn2c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000632932602 371330783 /nfs/dbraw/zinc/33/07/83/371330783.db2.gz IWDXMZZJHWHUIP-QWRGUYRKSA-N 2 2 257.297 0.912 20 0 CCADLP COCC[N@H+]1CCC[C@H]1CNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633032292 371367851 /nfs/dbraw/zinc/36/78/51/371367851.db2.gz GJNARMQQTDIYAI-LBPRGKRZSA-N 2 2 295.387 0.662 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633086066 371390812 /nfs/dbraw/zinc/39/08/12/371390812.db2.gz YMOYQLFBGCZBJQ-JTQLQIEISA-N 2 2 253.350 0.891 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCCc2cn(C)c[nH+]2)CC[N@@H+]1C ZINC000633392737 371515928 /nfs/dbraw/zinc/51/59/28/371515928.db2.gz BZGTZCRGCMSPPT-QWHCGFSZSA-N 2 2 264.373 0.809 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCCc2cn(C)c[nH+]2)CC[N@H+]1C ZINC000633392737 371515933 /nfs/dbraw/zinc/51/59/33/371515933.db2.gz BZGTZCRGCMSPPT-QWHCGFSZSA-N 2 2 264.373 0.809 20 0 CCADLP CO[C@@H]1CN(c2cc(-n3cc[nH+]c3)ncn2)[C@@](C)(C[NH3+])C1 ZINC000634238407 371962210 /nfs/dbraw/zinc/96/22/10/371962210.db2.gz CVIZTFPHFQWVSN-SMDDNHRTSA-N 2 2 288.355 0.605 20 0 CCADLP c1nc2cnccn2c1C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634733915 372177799 /nfs/dbraw/zinc/17/77/99/372177799.db2.gz RFCAVGGVSXRHKE-RISCZKNCSA-N 2 2 257.341 0.961 20 0 CCADLP CN1CCCC[C@H]([N@@H+](C)CCn2cc[nH+]c2)C1=O ZINC000634743111 372187783 /nfs/dbraw/zinc/18/77/83/372187783.db2.gz JWHRBBJUGIESIO-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP CCCCNc1cc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)nc(N)[nH+]1 ZINC000634809955 372253453 /nfs/dbraw/zinc/25/34/53/372253453.db2.gz GXMARYWVILENGR-GDGBQDQQSA-N 2 2 262.361 0.153 20 0 CCADLP CCCCNc1cc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[nH+]c(N)n1 ZINC000634809955 372253456 /nfs/dbraw/zinc/25/34/56/372253456.db2.gz GXMARYWVILENGR-GDGBQDQQSA-N 2 2 262.361 0.153 20 0 CCADLP CCN(CC)C(=O)C[NH+]1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634991781 372325781 /nfs/dbraw/zinc/32/57/81/372325781.db2.gz RHPSVYHHDAXUCY-UHFFFAOYSA-N 2 2 294.443 0.224 20 0 CCADLP CCO[C@@H]1C[C@H](O)C12CC[NH+](CC13CC(C1)C[NH2+]3)CC2 ZINC000634992803 372326945 /nfs/dbraw/zinc/32/69/45/372326945.db2.gz BFZYRNKWDUGURG-RAFNIBEQSA-N 2 2 280.412 0.990 20 0 CCADLP CCO[C@@H]1C[C@@H](O)C12CC[NH+](CC13CC(C1)C[NH2+]3)CC2 ZINC000634992802 372327788 /nfs/dbraw/zinc/32/77/88/372327788.db2.gz BFZYRNKWDUGURG-PIOWNMBXSA-N 2 2 280.412 0.990 20 0 CCADLP CCc1c[nH]c(CC(=O)NCC2CC[NH+](C)CC2)[nH+]1 ZINC000635467299 372536327 /nfs/dbraw/zinc/53/63/27/372536327.db2.gz KYMZFDPPWPRTCF-UHFFFAOYSA-N 2 2 264.373 0.973 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2csc(C[NH3+])n2)C[C@H]1C ZINC000430732041 296185202 /nfs/dbraw/zinc/18/52/02/296185202.db2.gz YINZUWNEUOUSHD-NXEZZACHSA-N 2 2 298.412 0.129 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)c2csc(C[NH3+])n2)C[C@H]1C ZINC000430732041 296185204 /nfs/dbraw/zinc/18/52/04/296185204.db2.gz YINZUWNEUOUSHD-NXEZZACHSA-N 2 2 298.412 0.129 20 0 CCADLP C[C@H](C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[NH+](C)C ZINC000635457658 372528479 /nfs/dbraw/zinc/52/84/79/372528479.db2.gz NWGSFODFVILMOF-CYBMUJFWSA-N 3 2 296.459 0.611 20 0 CCADLP [NH3+][C@@H]1CCCCCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000635529008 372589961 /nfs/dbraw/zinc/58/99/61/372589961.db2.gz ZIRBNDZYQPFSJP-GFCCVEGCSA-N 2 2 265.361 0.796 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000333330139 205224666 /nfs/dbraw/zinc/22/46/66/205224666.db2.gz WBGQAFRHFSXYTI-GRYCIOLGSA-N 2 2 267.373 0.106 20 0 CCADLP CC(C)(CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[NH+]1CCOCC1 ZINC000333369455 205260307 /nfs/dbraw/zinc/26/03/07/205260307.db2.gz MEVSYDOGSSOZHE-OLZOCXBDSA-N 2 2 296.415 0.101 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@@H+]1CCO ZINC000635823129 372961499 /nfs/dbraw/zinc/96/14/99/372961499.db2.gz GWTFZMHUGYRHBB-IJLUTSLNSA-N 2 2 278.356 0.038 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@H+]1CCO ZINC000635823129 372961506 /nfs/dbraw/zinc/96/15/06/372961506.db2.gz GWTFZMHUGYRHBB-IJLUTSLNSA-N 2 2 278.356 0.038 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@@H+]1CCO ZINC000635823129 372961513 /nfs/dbraw/zinc/96/15/13/372961513.db2.gz GWTFZMHUGYRHBB-IJLUTSLNSA-N 2 2 278.356 0.038 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@H+]1CCO ZINC000635823129 372961520 /nfs/dbraw/zinc/96/15/20/372961520.db2.gz GWTFZMHUGYRHBB-IJLUTSLNSA-N 2 2 278.356 0.038 20 0 CCADLP c1c(C[NH+]2CCSCC2)nnn1C1CC[NH2+]CC1 ZINC000656456740 412804311 /nfs/dbraw/zinc/80/43/11/412804311.db2.gz KSKOFGDWUDXOKB-UHFFFAOYSA-N 2 2 267.402 0.751 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000635859006 373014184 /nfs/dbraw/zinc/01/41/84/373014184.db2.gz OBEXWMZQXRJXJS-GHMZBOCLSA-N 2 2 286.339 0.585 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000635859006 373014194 /nfs/dbraw/zinc/01/41/94/373014194.db2.gz OBEXWMZQXRJXJS-GHMZBOCLSA-N 2 2 286.339 0.585 20 0 CCADLP C[C@H]1CC2(C[N@@H+]1Cc1nnn(C)n1)CC[NH2+]CC2 ZINC000333460798 205341131 /nfs/dbraw/zinc/34/11/31/205341131.db2.gz GKGSIWPFLLJVEF-JTQLQIEISA-N 2 2 250.350 0.174 20 0 CCADLP C[C@H]1CC2(C[N@H+]1Cc1nnn(C)n1)CC[NH2+]CC2 ZINC000333460798 205341136 /nfs/dbraw/zinc/34/11/36/205341136.db2.gz GKGSIWPFLLJVEF-JTQLQIEISA-N 2 2 250.350 0.174 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]21 ZINC000635991456 373216387 /nfs/dbraw/zinc/21/63/87/373216387.db2.gz KAXNTZQQTLAWOX-UZWSLXQKSA-N 2 2 260.341 0.676 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]21 ZINC000635991456 373216395 /nfs/dbraw/zinc/21/63/95/373216395.db2.gz KAXNTZQQTLAWOX-UZWSLXQKSA-N 2 2 260.341 0.676 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]21 ZINC000635991456 373216403 /nfs/dbraw/zinc/21/64/03/373216403.db2.gz KAXNTZQQTLAWOX-UZWSLXQKSA-N 2 2 260.341 0.676 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]21 ZINC000635991456 373216417 /nfs/dbraw/zinc/21/64/17/373216417.db2.gz KAXNTZQQTLAWOX-UZWSLXQKSA-N 2 2 260.341 0.676 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC(C[NH+](C)C)C2)[nH+]1 ZINC000635975105 373190114 /nfs/dbraw/zinc/19/01/14/373190114.db2.gz GYVAWGMIAZLIHD-UHFFFAOYSA-N 2 2 250.346 0.535 20 0 CCADLP C[NH+](C)CC1(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000635976487 373192875 /nfs/dbraw/zinc/19/28/75/373192875.db2.gz WGWFFMYYAGIXAM-CQSZACIVSA-N 2 2 295.427 0.651 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[NH2+]1 ZINC000636238327 373479098 /nfs/dbraw/zinc/47/90/98/373479098.db2.gz CSDWUVXHFABQSJ-NQBHXWOUSA-N 2 2 262.357 0.970 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[NH2+]1 ZINC000636238327 373479103 /nfs/dbraw/zinc/47/91/03/373479103.db2.gz CSDWUVXHFABQSJ-NQBHXWOUSA-N 2 2 262.357 0.970 20 0 CCADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000636598734 373667080 /nfs/dbraw/zinc/66/70/80/373667080.db2.gz RZIXMDQAZABSND-LLVKDONJSA-N 2 2 295.387 0.215 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636666094 373698577 /nfs/dbraw/zinc/69/85/77/373698577.db2.gz UQSKLHZMLOFYAC-WDEREUQCSA-N 2 2 265.361 0.447 20 0 CCADLP CC[NH+]1CCOC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000636910093 373816254 /nfs/dbraw/zinc/81/62/54/373816254.db2.gz ZLBPFCIPCUPBOW-KKUMJFAQSA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CCOC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000636910093 373816257 /nfs/dbraw/zinc/81/62/57/373816257.db2.gz ZLBPFCIPCUPBOW-KKUMJFAQSA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2COCC[N@@H+]2CC)[C@@H](C)C1 ZINC000636910093 373816259 /nfs/dbraw/zinc/81/62/59/373816259.db2.gz ZLBPFCIPCUPBOW-KKUMJFAQSA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2COCC[N@H+]2CC)[C@@H](C)C1 ZINC000636910093 373816261 /nfs/dbraw/zinc/81/62/61/373816261.db2.gz ZLBPFCIPCUPBOW-KKUMJFAQSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637147553 373956279 /nfs/dbraw/zinc/95/62/79/373956279.db2.gz RORFVGOQLQZAHA-UWVGGRQHSA-N 2 2 251.334 0.057 20 0 CCADLP COC(=O)C[C@@H]1CSCC[N@@H+]1CCc1c[nH+]cn1C ZINC000289529523 197390523 /nfs/dbraw/zinc/39/05/23/197390523.db2.gz GMSSXZJCXVSKJI-GFCCVEGCSA-N 2 2 283.397 0.943 20 0 CCADLP COC(=O)C[C@@H]1CSCC[N@H+]1CCc1c[nH+]cn1C ZINC000289529523 197390526 /nfs/dbraw/zinc/39/05/26/197390526.db2.gz GMSSXZJCXVSKJI-GFCCVEGCSA-N 2 2 283.397 0.943 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@@H]1COCC[NH+]1C ZINC000637440166 374153944 /nfs/dbraw/zinc/15/39/44/374153944.db2.gz GRFLUAWKPKGJQK-CHWSQXEVSA-N 2 2 284.404 0.053 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H]1COCC[NH+]1C ZINC000637440166 374153949 /nfs/dbraw/zinc/15/39/49/374153949.db2.gz GRFLUAWKPKGJQK-CHWSQXEVSA-N 2 2 284.404 0.053 20 0 CCADLP CC[C@@H]1C[NH+](C)CCN1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637440166 374153954 /nfs/dbraw/zinc/15/39/54/374153954.db2.gz GRFLUAWKPKGJQK-CHWSQXEVSA-N 2 2 284.404 0.053 20 0 CCADLP CC[C@@H]1C[NH+](C)CCN1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637440166 374153958 /nfs/dbraw/zinc/15/39/58/374153958.db2.gz GRFLUAWKPKGJQK-CHWSQXEVSA-N 2 2 284.404 0.053 20 0 CCADLP CN(C(=O)NC[C@H]1COCC[NH+]1C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000637442318 374160659 /nfs/dbraw/zinc/16/06/59/374160659.db2.gz DRYDYFWXTYMWQE-KGLIPLIRSA-N 2 2 296.415 0.195 20 0 CCADLP CN(C(=O)NC[C@H]1COCC[NH+]1C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000637442318 374160663 /nfs/dbraw/zinc/16/06/63/374160663.db2.gz DRYDYFWXTYMWQE-KGLIPLIRSA-N 2 2 296.415 0.195 20 0 CCADLP CN(C(=O)NC[C@H]1COCC[N@@H+]1C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000637442318 374160667 /nfs/dbraw/zinc/16/06/67/374160667.db2.gz DRYDYFWXTYMWQE-KGLIPLIRSA-N 2 2 296.415 0.195 20 0 CCADLP CN(C(=O)NC[C@H]1COCC[N@H+]1C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000637442318 374160672 /nfs/dbraw/zinc/16/06/72/374160672.db2.gz DRYDYFWXTYMWQE-KGLIPLIRSA-N 2 2 296.415 0.195 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000637446374 374172306 /nfs/dbraw/zinc/17/23/06/374172306.db2.gz RFTBRASHCUJQNF-UONOGXRCSA-N 2 2 296.415 0.197 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000637446374 374172308 /nfs/dbraw/zinc/17/23/08/374172308.db2.gz RFTBRASHCUJQNF-UONOGXRCSA-N 2 2 296.415 0.197 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@@H]1COCC[NH+]1C)CC2 ZINC000637447771 374173067 /nfs/dbraw/zinc/17/30/67/374173067.db2.gz QWMVZPAHAWFSRR-HZSPNIEDSA-N 2 2 296.415 0.195 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@@H]1COCC[NH+]1C)CC2 ZINC000637447771 374173073 /nfs/dbraw/zinc/17/30/73/374173073.db2.gz QWMVZPAHAWFSRR-HZSPNIEDSA-N 2 2 296.415 0.195 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@@H]1COCC[N@@H+]1C)CC2 ZINC000637447771 374173078 /nfs/dbraw/zinc/17/30/78/374173078.db2.gz QWMVZPAHAWFSRR-HZSPNIEDSA-N 2 2 296.415 0.195 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@@H]1COCC[N@H+]1C)CC2 ZINC000637447771 374173085 /nfs/dbraw/zinc/17/30/85/374173085.db2.gz QWMVZPAHAWFSRR-HZSPNIEDSA-N 2 2 296.415 0.195 20 0 CCADLP O=C(c1cc(-n2cc[nH+]c2)ccc1O)N1CC[NH2+]CC1 ZINC000637801966 374330006 /nfs/dbraw/zinc/33/00/06/374330006.db2.gz UXELTZMBDMRJKJ-UHFFFAOYSA-N 2 2 272.308 0.623 20 0 CCADLP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N1CC[C@H]([NH3+])C1 ZINC000637820763 374358599 /nfs/dbraw/zinc/35/85/99/374358599.db2.gz GRLCATGNUVPONL-UONOGXRCSA-N 2 2 276.384 0.005 20 0 CCADLP [NH3+][C@H]1CCN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000637821970 374359831 /nfs/dbraw/zinc/35/98/31/374359831.db2.gz XDWXMBCHWUFEMG-DTWKUNHWSA-N 2 2 276.262 0.936 20 0 CCADLP [NH3+]C[C@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)C1 ZINC000637824455 374363458 /nfs/dbraw/zinc/36/34/58/374363458.db2.gz ZQJKQZRYMRIXKC-LLVKDONJSA-N 2 2 286.335 0.999 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@H]([NH3+])C(C)C)CC2 ZINC000637849149 374404347 /nfs/dbraw/zinc/40/43/47/374404347.db2.gz MZVLJYFPJOMDAS-NEPJUHHUSA-N 2 2 264.373 0.853 20 0 CCADLP CNc1cccc(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000637867718 374433154 /nfs/dbraw/zinc/43/31/54/374433154.db2.gz WZNRHLYFBUDFNX-ZDUSSCGKSA-N 2 2 262.357 0.443 20 0 CCADLP CNc1cccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000637867718 374433156 /nfs/dbraw/zinc/43/31/56/374433156.db2.gz WZNRHLYFBUDFNX-ZDUSSCGKSA-N 2 2 262.357 0.443 20 0 CCADLP CCN(CC)c1ccc(CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])c[nH+]1 ZINC000638062173 374606767 /nfs/dbraw/zinc/60/67/67/374606767.db2.gz PUQFYPOAIMDQRR-GXTWGEPZSA-N 2 2 292.383 0.660 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000638068002 374615054 /nfs/dbraw/zinc/61/50/54/374615054.db2.gz IOUKVPVXUIVSDH-JTQLQIEISA-N 2 2 250.346 0.762 20 0 CCADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000638069288 374617406 /nfs/dbraw/zinc/61/74/06/374617406.db2.gz OSPAKAOAAKHHHP-WFASDCNBSA-N 2 2 292.383 0.531 20 0 CCADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000638088833 374648102 /nfs/dbraw/zinc/64/81/02/374648102.db2.gz PZRKTFFMIFYMPO-UKRRQHHQSA-N 2 2 292.383 0.814 20 0 CCADLP CO[C@H]1C[NH2+][C@](C)(C(=O)N2CCn3c(C)c(C)[nH+]c3C2)C1 ZINC000638097478 374658401 /nfs/dbraw/zinc/65/84/01/374658401.db2.gz UMEAHWDACANORM-DOMZBBRYSA-N 2 2 292.383 0.609 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000638097818 374659197 /nfs/dbraw/zinc/65/91/97/374659197.db2.gz HAQLTZAVRILFGZ-LLVKDONJSA-N 2 2 281.356 0.497 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000638097818 374659204 /nfs/dbraw/zinc/65/92/04/374659204.db2.gz HAQLTZAVRILFGZ-LLVKDONJSA-N 2 2 281.356 0.497 20 0 CCADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000638098974 374661271 /nfs/dbraw/zinc/66/12/71/374661271.db2.gz JLRVHNDLEYBTEQ-SWLSCSKDSA-N 2 2 292.383 0.603 20 0 CCADLP CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000638119363 374686686 /nfs/dbraw/zinc/68/66/86/374686686.db2.gz PQCGITNQSOLWDX-DOMZBBRYSA-N 2 2 288.351 0.718 20 0 CCADLP [NH3+]C[C@]1(C(=O)NCc2ccn3cc[nH+]c3c2)CCCOC1 ZINC000638119138 374687569 /nfs/dbraw/zinc/68/75/69/374687569.db2.gz JWKSTOSCQZSSHY-OAHLLOKOSA-N 2 2 288.351 0.706 20 0 CCADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2[nH]c[nH+]c2C)C1 ZINC000638135081 374704862 /nfs/dbraw/zinc/70/48/62/374704862.db2.gz ZOALGTSQLUQGKZ-BXKDBHETSA-N 2 2 252.318 0.101 20 0 CCADLP c1[nH+]c(CN2C[C@@H]3C[NH2+]C[C@H]3C2)cc2c1OCCO2 ZINC000638186269 374770109 /nfs/dbraw/zinc/77/01/09/374770109.db2.gz PGCKPCLIZCETQZ-QWRGUYRKSA-N 2 2 261.325 0.504 20 0 CCADLP c1nc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc2c1OCCO2 ZINC000638186269 374770120 /nfs/dbraw/zinc/77/01/20/374770120.db2.gz PGCKPCLIZCETQZ-QWRGUYRKSA-N 2 2 261.325 0.504 20 0 CCADLP COc1cccc([C@H]([NH3+])C(=O)N2CC[NH2+]C[C@@](C)(F)C2)c1 ZINC000638255105 374850639 /nfs/dbraw/zinc/85/06/39/374850639.db2.gz XCCVGXYUAJCFFA-DZGCQCFKSA-N 2 2 295.358 0.855 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000638257657 374855021 /nfs/dbraw/zinc/85/50/21/374855021.db2.gz CGSPXAMKRZKTNJ-WDEREUQCSA-N 2 2 250.346 0.607 20 0 CCADLP [NH3+]CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(F)F ZINC000638259539 374856330 /nfs/dbraw/zinc/85/63/30/374856330.db2.gz REXAUSQRFFEGHN-BWZBUEFSSA-N 2 2 258.272 0.612 20 0 CCADLP [NH3+]CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(F)F ZINC000638259539 374856334 /nfs/dbraw/zinc/85/63/34/374856334.db2.gz REXAUSQRFFEGHN-BWZBUEFSSA-N 2 2 258.272 0.612 20 0 CCADLP CC(C)CC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000638413781 375012891 /nfs/dbraw/zinc/01/28/91/375012891.db2.gz FQJHDSLDMPNSPX-ZIAGYGMSSA-N 2 2 283.416 0.683 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000638424958 375020313 /nfs/dbraw/zinc/02/03/13/375020313.db2.gz CYJRFDKUGHBLJC-DZGCQCFKSA-N 3 2 296.459 0.611 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000638424958 375020318 /nfs/dbraw/zinc/02/03/18/375020318.db2.gz CYJRFDKUGHBLJC-DZGCQCFKSA-N 3 2 296.459 0.611 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000638426445 375024988 /nfs/dbraw/zinc/02/49/88/375024988.db2.gz RARIQODJNMQVMH-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](CO)c1ccsc1 ZINC000574581766 335031756 /nfs/dbraw/zinc/03/17/56/335031756.db2.gz QMPRIGDYNZWJEC-CHWSQXEVSA-N 2 2 288.413 0.310 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](CO)c1ccsc1 ZINC000574581766 335031758 /nfs/dbraw/zinc/03/17/58/335031758.db2.gz QMPRIGDYNZWJEC-CHWSQXEVSA-N 2 2 288.413 0.310 20 0 CCADLP C[N@H+](CCNCc1c[nH+]c(N)nc1N)C1CCCC1 ZINC000638544065 375133626 /nfs/dbraw/zinc/13/36/26/375133626.db2.gz BXVRHBBVQUOOOY-UHFFFAOYSA-N 2 2 264.377 0.266 20 0 CCADLP C[N@@H+](CCNCc1c[nH+]c(N)nc1N)C1CCCC1 ZINC000638544065 375133634 /nfs/dbraw/zinc/13/36/34/375133634.db2.gz BXVRHBBVQUOOOY-UHFFFAOYSA-N 2 2 264.377 0.266 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1cccc(F)c1N ZINC000638597524 375179564 /nfs/dbraw/zinc/17/95/64/375179564.db2.gz YUOOVDPNEGCVMW-GFCCVEGCSA-N 2 2 266.364 0.743 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1cccc(F)c1N ZINC000638597524 375179567 /nfs/dbraw/zinc/17/95/67/375179567.db2.gz YUOOVDPNEGCVMW-GFCCVEGCSA-N 2 2 266.364 0.743 20 0 CCADLP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@H]1COCC[N@H+]1C ZINC000638609153 375190159 /nfs/dbraw/zinc/19/01/59/375190159.db2.gz FCMWRTSVJTZMEM-GXTWGEPZSA-N 2 2 277.368 0.442 20 0 CCADLP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638609153 375190167 /nfs/dbraw/zinc/19/01/67/375190167.db2.gz FCMWRTSVJTZMEM-GXTWGEPZSA-N 2 2 277.368 0.442 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C1([NH3+])CCCCC1 ZINC000638611969 375194634 /nfs/dbraw/zinc/19/46/34/375194634.db2.gz REDLTQSKLMHXLG-LLVKDONJSA-N 2 2 255.362 0.095 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)C1([NH3+])CCCCC1 ZINC000638611969 375194644 /nfs/dbraw/zinc/19/46/44/375194644.db2.gz REDLTQSKLMHXLG-LLVKDONJSA-N 2 2 255.362 0.095 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000638612636 375195717 /nfs/dbraw/zinc/19/57/17/375195717.db2.gz WJPNTHGSDBPOBQ-CHWSQXEVSA-N 2 2 269.389 0.213 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000638612636 375195725 /nfs/dbraw/zinc/19/57/25/375195725.db2.gz WJPNTHGSDBPOBQ-CHWSQXEVSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@H](CC(=O)N(C)CCOCC[NH3+])n1cc[nH+]c1 ZINC000638673206 375276221 /nfs/dbraw/zinc/27/62/21/375276221.db2.gz PKORRXIJSYFGFM-LLVKDONJSA-N 2 2 254.334 0.268 20 0 CCADLP Nc1ncc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c(N)n1 ZINC000638732125 375326734 /nfs/dbraw/zinc/32/67/34/375326734.db2.gz AYBOYUKCSSAQFJ-UHFFFAOYSA-N 2 2 290.415 0.798 20 0 CCADLP CCc1c[nH]c(CC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)[nH+]1 ZINC000638734190 375327248 /nfs/dbraw/zinc/32/72/48/375327248.db2.gz ZSMRLJJGBYZGSN-GASCZTMLSA-N 2 2 276.384 0.973 20 0 CCADLP [NH3+]CCCOCCNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000638661812 375265241 /nfs/dbraw/zinc/26/52/41/375265241.db2.gz FSDVCBXBCWOQTH-UHFFFAOYSA-N 2 2 293.358 0.445 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC[NH2+][C@H]1C)CC2 ZINC000638765453 375342880 /nfs/dbraw/zinc/34/28/80/375342880.db2.gz IIDDHNXJCLXZBN-QJPTWQEYSA-N 2 2 262.357 0.621 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000638810179 375385024 /nfs/dbraw/zinc/38/50/24/375385024.db2.gz GUCMFDNSWJYMLS-KFWWJZLASA-N 2 2 291.395 0.912 20 0 CCADLP COC1CC[NH+](CC[NH2+][C@@H]2CCCNC(=O)C2)CC1 ZINC000638907714 375444821 /nfs/dbraw/zinc/44/48/21/375444821.db2.gz XKOHLOVATFHIIQ-GFCCVEGCSA-N 2 2 269.389 0.356 20 0 CCADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638915781 375451288 /nfs/dbraw/zinc/45/12/88/375451288.db2.gz VMWOLJRWTPNSLG-FPMFFAJLSA-N 2 2 279.384 0.203 20 0 CCADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638915781 375451293 /nfs/dbraw/zinc/45/12/93/375451293.db2.gz VMWOLJRWTPNSLG-FPMFFAJLSA-N 2 2 279.384 0.203 20 0 CCADLP [NH3+][C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)c1c(F)cccc1F ZINC000638937200 375472257 /nfs/dbraw/zinc/47/22/57/375472257.db2.gz IDHBAQKYJYOMIV-RWEMILLDSA-N 2 2 281.306 0.927 20 0 CCADLP CCC[N@H+](C)CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638985722 375498082 /nfs/dbraw/zinc/49/80/82/375498082.db2.gz FIIUUBAGGBBXST-UHFFFAOYSA-N 3 2 291.399 0.772 20 0 CCADLP CCC[N@@H+](C)CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638985722 375498090 /nfs/dbraw/zinc/49/80/90/375498090.db2.gz FIIUUBAGGBBXST-UHFFFAOYSA-N 3 2 291.399 0.772 20 0 CCADLP COC[C@@]1(C(=O)N(C)Cc2[nH]cc[nH+]2)CCCC[NH2+]1 ZINC000639017365 375522068 /nfs/dbraw/zinc/52/20/68/375522068.db2.gz UDFYJXNVEZELBA-CYBMUJFWSA-N 2 2 266.345 0.527 20 0 CCADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]CCC[C@@H]1CCO1 ZINC000639217239 375637587 /nfs/dbraw/zinc/63/75/87/375637587.db2.gz CMJGKGCKPWBOBI-UONOGXRCSA-N 2 2 256.390 0.992 20 0 CCADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]CCC[C@@H]1CCO1 ZINC000639217239 375637591 /nfs/dbraw/zinc/63/75/91/375637591.db2.gz CMJGKGCKPWBOBI-UONOGXRCSA-N 2 2 256.390 0.992 20 0 CCADLP O=C1C[C@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)CCCN1 ZINC000639219348 375642008 /nfs/dbraw/zinc/64/20/08/375642008.db2.gz SWEMKEZAALUOCM-CHWSQXEVSA-N 2 2 269.389 0.092 20 0 CCADLP O=C1C[C@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)CCCN1 ZINC000639219348 375642018 /nfs/dbraw/zinc/64/20/18/375642018.db2.gz SWEMKEZAALUOCM-CHWSQXEVSA-N 2 2 269.389 0.092 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C(C)C)C1CCOCC1 ZINC000576644231 335230104 /nfs/dbraw/zinc/23/01/04/335230104.db2.gz BMQRNXIUNMFHLA-OAHLLOKOSA-N 2 2 288.432 0.815 20 0 CCADLP CC(C)n1c[nH+]cc1CN1CC[N@H+](C)C[C@H]1CO ZINC000639332985 375731602 /nfs/dbraw/zinc/73/16/02/375731602.db2.gz DVFYAFHXHAKZSO-ZDUSSCGKSA-N 2 2 252.362 0.572 20 0 CCADLP CC(C)n1c[nH+]cc1CN1CC[N@@H+](C)C[C@H]1CO ZINC000639332985 375731607 /nfs/dbraw/zinc/73/16/07/375731607.db2.gz DVFYAFHXHAKZSO-ZDUSSCGKSA-N 2 2 252.362 0.572 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C(C)C)C1CCOCC1 ZINC000576644231 335230105 /nfs/dbraw/zinc/23/01/05/335230105.db2.gz BMQRNXIUNMFHLA-OAHLLOKOSA-N 2 2 288.432 0.815 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCSC[C@H]1CCO ZINC000639516399 375817944 /nfs/dbraw/zinc/81/79/44/375817944.db2.gz GOBIIZLPMUYKOW-GFCCVEGCSA-N 2 2 255.387 0.762 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCSC[C@H]1CCO ZINC000639516399 375817951 /nfs/dbraw/zinc/81/79/51/375817951.db2.gz GOBIIZLPMUYKOW-GFCCVEGCSA-N 2 2 255.387 0.762 20 0 CCADLP CN(CC[N@H+](C)CCc1c[nH+]cn1C)C1CC[NH+](C)CC1 ZINC000639549717 375831454 /nfs/dbraw/zinc/83/14/54/375831454.db2.gz GSFDPKYWWYASSQ-UHFFFAOYSA-N 3 2 293.459 0.920 20 0 CCADLP CN(CC[N@@H+](C)CCc1c[nH+]cn1C)C1CC[NH+](C)CC1 ZINC000639549717 375831459 /nfs/dbraw/zinc/83/14/59/375831459.db2.gz GSFDPKYWWYASSQ-UHFFFAOYSA-N 3 2 293.459 0.920 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000639586528 375844949 /nfs/dbraw/zinc/84/49/49/375844949.db2.gz NFHZEOQLCCUXKC-LBPRGKRZSA-N 2 2 271.386 0.472 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000639586528 375844953 /nfs/dbraw/zinc/84/49/53/375844953.db2.gz NFHZEOQLCCUXKC-LBPRGKRZSA-N 2 2 271.386 0.472 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000639587284 375847298 /nfs/dbraw/zinc/84/72/98/375847298.db2.gz VFEBFYZTRRYMOB-LBPRGKRZSA-N 2 2 277.372 0.499 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000639587284 375847309 /nfs/dbraw/zinc/84/73/09/375847309.db2.gz VFEBFYZTRRYMOB-LBPRGKRZSA-N 2 2 277.372 0.499 20 0 CCADLP C[N@@H+]1CCN(C[C@H](O)C[NH+]2CCOCC2)C[C@@H]1C(C)(C)C ZINC000639751654 375978301 /nfs/dbraw/zinc/97/83/01/375978301.db2.gz RQDBRYGGNYMXLV-HUUCEWRRSA-N 2 2 299.459 0.342 20 0 CCADLP C[N@H+]1CCN(C[C@H](O)C[NH+]2CCOCC2)C[C@@H]1C(C)(C)C ZINC000639751654 375978306 /nfs/dbraw/zinc/97/83/06/375978306.db2.gz RQDBRYGGNYMXLV-HUUCEWRRSA-N 2 2 299.459 0.342 20 0 CCADLP Cn1cc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)nn1 ZINC000639701852 375929666 /nfs/dbraw/zinc/92/96/66/375929666.db2.gz DEUIHYDSYBWGNZ-UHFFFAOYSA-N 2 2 272.356 0.922 20 0 CCADLP Cn1cc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)nn1 ZINC000639701852 375929670 /nfs/dbraw/zinc/92/96/70/375929670.db2.gz DEUIHYDSYBWGNZ-UHFFFAOYSA-N 2 2 272.356 0.922 20 0 CCADLP Cn1c[nH+]cc1CCC[NH+]1CCN(Cc2nc[nH]n2)CC1 ZINC000639720161 375947397 /nfs/dbraw/zinc/94/73/97/375947397.db2.gz CLFAVOAHAISABI-UHFFFAOYSA-N 2 2 289.387 0.289 20 0 CCADLP Cn1c[nH+]cc1CCC[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC000639720161 375947407 /nfs/dbraw/zinc/94/74/07/375947407.db2.gz CLFAVOAHAISABI-UHFFFAOYSA-N 2 2 289.387 0.289 20 0 CCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761850 375988620 /nfs/dbraw/zinc/98/86/20/375988620.db2.gz JMXFVENNDRKTAA-DZGCQCFKSA-N 2 2 285.432 0.632 20 0 CCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761850 375988631 /nfs/dbraw/zinc/98/86/31/375988631.db2.gz JMXFVENNDRKTAA-DZGCQCFKSA-N 2 2 285.432 0.632 20 0 CCADLP CC(C)N1CCC[C@H]([N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)C1=O ZINC000639761897 375988883 /nfs/dbraw/zinc/98/88/83/375988883.db2.gz PBCRDOXDRXSSDR-GOEBONIOSA-N 2 2 297.443 0.774 20 0 CCADLP CC(C)N1CCC[C@H]([N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)C1=O ZINC000639761897 375988888 /nfs/dbraw/zinc/98/88/88/375988888.db2.gz PBCRDOXDRXSSDR-GOEBONIOSA-N 2 2 297.443 0.774 20 0 CCADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639763183 375991182 /nfs/dbraw/zinc/99/11/82/375991182.db2.gz WBEAOLFDDIDAKK-UKRRQHHQSA-N 2 2 285.432 0.630 20 0 CCADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639763183 375991190 /nfs/dbraw/zinc/99/11/90/375991190.db2.gz WBEAOLFDDIDAKK-UKRRQHHQSA-N 2 2 285.432 0.630 20 0 CCADLP CC1([NH+]2CCCC2)CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000639982179 376167092 /nfs/dbraw/zinc/16/70/92/376167092.db2.gz IFEZFAHFJIXXRT-UHFFFAOYSA-N 2 2 289.445 0.615 20 0 CCADLP COC(C)(C)CC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051242 376215496 /nfs/dbraw/zinc/21/54/96/376215496.db2.gz MEFSIWGQGQKBTA-UHFFFAOYSA-N 2 2 271.405 0.507 20 0 CCADLP C[N@H+](CCO[C@H]1CC1(F)F)CC(=O)N1CC[NH+](C)CC1 ZINC000640062675 376224817 /nfs/dbraw/zinc/22/48/17/376224817.db2.gz OMRWGAANCYDARF-NSHDSACASA-N 2 2 291.342 0.116 20 0 CCADLP C[N@@H+](CCO[C@H]1CC1(F)F)CC(=O)N1CC[NH+](C)CC1 ZINC000640062675 376224822 /nfs/dbraw/zinc/22/48/22/376224822.db2.gz OMRWGAANCYDARF-NSHDSACASA-N 2 2 291.342 0.116 20 0 CCADLP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000656786832 412851783 /nfs/dbraw/zinc/85/17/83/412851783.db2.gz AOMFAWQMONQQLO-LBPRGKRZSA-N 2 2 251.378 0.988 20 0 CCADLP CC(C)(C)[NH2+]CC[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000656786832 412851786 /nfs/dbraw/zinc/85/17/86/412851786.db2.gz AOMFAWQMONQQLO-LBPRGKRZSA-N 2 2 251.378 0.988 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000640304473 376301700 /nfs/dbraw/zinc/30/17/00/376301700.db2.gz JLWKGENZRBNWDA-XBFCOCLRSA-N 2 2 296.415 0.228 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(C)(C)CC2)CC1 ZINC000334333974 206385996 /nfs/dbraw/zinc/38/59/96/206385996.db2.gz WANZMLBTOQZVKO-UHFFFAOYSA-N 2 2 253.390 0.882 20 0 CCADLP C[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C(F)F ZINC000641014275 376672228 /nfs/dbraw/zinc/67/22/28/376672228.db2.gz DODAJKXOBVECLK-SNVBAGLBSA-N 2 2 292.374 0.965 20 0 CCADLP Nc1[nH+]cccc1Cn1cc(C[NH+]2CCCC2)nn1 ZINC000641165660 376832556 /nfs/dbraw/zinc/83/25/56/376832556.db2.gz IEGQLYBVWJMXQJ-UHFFFAOYSA-N 2 2 258.329 0.899 20 0 CCADLP COc1cc[nH+]cc1Cn1cc(CN2CC[NH2+]CC2)nn1 ZINC000641169317 376838806 /nfs/dbraw/zinc/83/88/06/376838806.db2.gz WJPPPZFMENZDPR-UHFFFAOYSA-N 2 2 288.355 0.135 20 0 CCADLP COCC[N@H+](C)Cc1cn(CCc2c[nH+]cn2C)nn1 ZINC000641172343 376841436 /nfs/dbraw/zinc/84/14/36/376841436.db2.gz DGQPLHVVVOCQPU-UHFFFAOYSA-N 2 2 278.360 0.333 20 0 CCADLP COCC[N@@H+](C)Cc1cn(CCc2c[nH+]cn2C)nn1 ZINC000641172343 376841438 /nfs/dbraw/zinc/84/14/38/376841438.db2.gz DGQPLHVVVOCQPU-UHFFFAOYSA-N 2 2 278.360 0.333 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCCCC[NH2+]1 ZINC000080994388 284608072 /nfs/dbraw/zinc/60/80/72/284608072.db2.gz MPMHTYAXVMZDDE-VXGBXAGGSA-N 2 2 250.346 0.920 20 0 CCADLP COC1CC[NH+](Cc2cn(CC3CC[NH2+]CC3)nn2)CC1 ZINC000641233643 376932196 /nfs/dbraw/zinc/93/21/96/376932196.db2.gz WANHPKATLDMWDX-UHFFFAOYSA-N 2 2 293.415 0.889 20 0 CCADLP Cc1[nH+]ccn1CCCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641287457 376966909 /nfs/dbraw/zinc/96/69/09/376966909.db2.gz RERCVYHLRFTZHM-UHFFFAOYSA-N 2 2 297.384 0.398 20 0 CCADLP CN(C)C(=O)CC[NH+]1CCC(Nc2cc[nH+]cc2F)CC1 ZINC000641365887 377040548 /nfs/dbraw/zinc/04/05/48/377040548.db2.gz SLTPYMCGLBOODB-UHFFFAOYSA-N 2 2 294.374 0.997 20 0 CCADLP C[C@@H](CNS(=O)(=O)CCn1cc[nH+]c1)[N@H+](C)C1CC1 ZINC000641337820 377004330 /nfs/dbraw/zinc/00/43/30/377004330.db2.gz JDNCAAFFLYQDDD-NSHDSACASA-N 2 2 286.401 0.285 20 0 CCADLP C[C@@H](CNS(=O)(=O)CCn1cc[nH+]c1)[N@@H+](C)C1CC1 ZINC000641337820 377004337 /nfs/dbraw/zinc/00/43/37/377004337.db2.gz JDNCAAFFLYQDDD-NSHDSACASA-N 2 2 286.401 0.285 20 0 CCADLP CC(C)N(CC[NH+](C)C)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641388451 377058587 /nfs/dbraw/zinc/05/85/87/377058587.db2.gz AKNUBKQSIFOSLY-UHFFFAOYSA-N 2 2 288.417 0.485 20 0 CCADLP C[NH+](C)CC(C)(C)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641528950 377227686 /nfs/dbraw/zinc/22/76/86/377227686.db2.gz TWWGZKXBOIYWCC-UHFFFAOYSA-N 2 2 274.390 0.143 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCC[NH+]2CCOCC2)CC1(C)C ZINC000641734703 377429083 /nfs/dbraw/zinc/42/90/83/377429083.db2.gz IGTXSFGXORVCQZ-UHFFFAOYSA-N 2 2 298.431 0.444 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCC[NH+]2CCOCC2)CC1(C)C ZINC000641734703 377429090 /nfs/dbraw/zinc/42/90/90/377429090.db2.gz IGTXSFGXORVCQZ-UHFFFAOYSA-N 2 2 298.431 0.444 20 0 CCADLP NS(=O)(=O)c1ccc(C[NH2+]CCC[NH+]2CCC2)s1 ZINC000641741360 377433033 /nfs/dbraw/zinc/43/30/33/377433033.db2.gz CLUNHKAJHTWNBG-UHFFFAOYSA-N 2 2 289.426 0.581 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1c[nH]nc1C ZINC000641772325 377455183 /nfs/dbraw/zinc/45/51/83/377455183.db2.gz OXTXKAKFVHDBOU-CYBMUJFWSA-N 2 2 254.378 0.901 20 0 CCADLP COc1cc(C[N@H+](C)CCN2CC[NH2+]CC2)on1 ZINC000641796685 377467270 /nfs/dbraw/zinc/46/72/70/377467270.db2.gz HHMPJEWQMFGFCF-UHFFFAOYSA-N 2 2 254.334 0.020 20 0 CCADLP COc1cc(C[N@@H+](C)CCN2CC[NH2+]CC2)on1 ZINC000641796685 377467279 /nfs/dbraw/zinc/46/72/79/377467279.db2.gz HHMPJEWQMFGFCF-UHFFFAOYSA-N 2 2 254.334 0.020 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCS(=O)(=O)c1ccccn1 ZINC000641800301 377469267 /nfs/dbraw/zinc/46/92/67/377469267.db2.gz AONQSGVLFZXOOW-GHMZBOCLSA-N 2 2 283.397 0.571 20 0 CCADLP CC1(C)[C@H]([NH2+]Cc2nnnn2CC2CCOCC2)C[C@@H]1[NH3+] ZINC000641801939 377470853 /nfs/dbraw/zinc/47/08/53/377470853.db2.gz WHBGHFBNUNWMJP-NWDGAFQWSA-N 2 2 294.403 0.315 20 0 CCADLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000641801633 377471305 /nfs/dbraw/zinc/47/13/05/377471305.db2.gz DAOCPKWOMKBGKP-AJNGGQMLSA-N 3 2 277.412 0.633 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1cc(=O)n2ccsc2n1 ZINC000641806000 377478346 /nfs/dbraw/zinc/47/83/46/377478346.db2.gz PRRVCCYUVUAAPY-ZJUUUORDSA-N 2 2 278.381 0.971 20 0 CCADLP Cc1cc(NC(=O)C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)no1 ZINC000641806003 377478982 /nfs/dbraw/zinc/47/89/82/377478982.db2.gz PVZRYXGLYZJEDP-BDAKNGLRSA-N 2 2 252.318 0.059 20 0 CCADLP Cc1c[nH+]c(CN2CC[C@@H]([N@H+](C)CCO)[C@H]2C)n1C ZINC000430164134 249020899 /nfs/dbraw/zinc/02/08/99/249020899.db2.gz MBDVFXZXTUKIAC-CHWSQXEVSA-N 2 2 266.389 0.615 20 0 CCADLP Cc1c[nH+]c(CN2CC[C@@H]([N@@H+](C)CCO)[C@H]2C)n1C ZINC000430164134 249020901 /nfs/dbraw/zinc/02/09/01/249020901.db2.gz MBDVFXZXTUKIAC-CHWSQXEVSA-N 2 2 266.389 0.615 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000514936238 249112465 /nfs/dbraw/zinc/11/24/65/249112465.db2.gz LLIRXIQKDGHAOI-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(n2ccnc2)CC1 ZINC000517274064 249213884 /nfs/dbraw/zinc/21/38/84/249213884.db2.gz MDCDRGXLRYNQSO-AWEZNQCLSA-N 2 2 266.389 0.833 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(n2ccnc2)CC1 ZINC000517274064 249213887 /nfs/dbraw/zinc/21/38/87/249213887.db2.gz MDCDRGXLRYNQSO-AWEZNQCLSA-N 3 2 266.389 0.833 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000517274064 249213889 /nfs/dbraw/zinc/21/38/89/249213889.db2.gz MDCDRGXLRYNQSO-AWEZNQCLSA-N 3 2 266.389 0.833 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000517274064 249213892 /nfs/dbraw/zinc/21/38/92/249213892.db2.gz MDCDRGXLRYNQSO-AWEZNQCLSA-N 3 2 266.389 0.833 20 0 CCADLP Cc1cnc([C@@H](C)[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)s1 ZINC000517435254 249219138 /nfs/dbraw/zinc/21/91/38/249219138.db2.gz AAIISUAWIGGJIN-CHWSQXEVSA-N 2 2 298.456 0.710 20 0 CCADLP [NH3+]C[C@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)CCCO1 ZINC000517746840 249230086 /nfs/dbraw/zinc/23/00/86/249230086.db2.gz CQRNADBHPIDZNK-ZDUSSCGKSA-N 2 2 288.351 0.453 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2ccc3c(c2)NCC3)[C@@H](C[NH3+])C1 ZINC000518498078 249251889 /nfs/dbraw/zinc/25/18/89/249251889.db2.gz IEEOKOCYADRRSB-AWEZNQCLSA-N 2 2 288.395 0.298 20 0 CCADLP CC1(C)NC(=O)N(CCC[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)C1=O ZINC000643069666 377712973 /nfs/dbraw/zinc/71/29/73/377712973.db2.gz WOMSBVHNZZFPCL-NEPJUHHUSA-N 2 2 294.399 0.391 20 0 CCADLP CC1(C)NC(=O)N(CCC[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)C1=O ZINC000643069666 377712977 /nfs/dbraw/zinc/71/29/77/377712977.db2.gz WOMSBVHNZZFPCL-NEPJUHHUSA-N 2 2 294.399 0.391 20 0 CCADLP O=C(NC1CC[NH2+]CC1)C1CC[NH+](CC(F)F)CC1 ZINC000574689458 335039816 /nfs/dbraw/zinc/03/98/16/335039816.db2.gz HINZLULMUOBARQ-UHFFFAOYSA-N 2 2 275.343 0.832 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CCCCO2)CC1 ZINC000125892575 284715188 /nfs/dbraw/zinc/71/51/88/284715188.db2.gz JBTXSLZVYDPURZ-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnnn1CC1CC1 ZINC000571073282 291789249 /nfs/dbraw/zinc/78/92/49/291789249.db2.gz ORBALNOHBYOSFP-RYUDHWBXSA-N 2 2 264.377 0.690 20 0 CCADLP COCc1csc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)c1 ZINC000657334389 412960266 /nfs/dbraw/zinc/96/02/66/412960266.db2.gz YGQUTPNPNPYDRS-UHFFFAOYSA-N 2 2 297.424 0.758 20 0 CCADLP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000574787164 335047256 /nfs/dbraw/zinc/04/72/56/335047256.db2.gz MNXNQYNNPYHGLM-UTUOFQBUSA-N 2 2 289.383 0.803 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)c2ccnc(C[NH3+])c2)C[C@@H]1C ZINC000361619391 532963444 /nfs/dbraw/zinc/96/34/44/532963444.db2.gz FTRCILNYNFNXTL-LBPRGKRZSA-N 2 2 292.383 0.333 20 0 CCADLP COCC[N@H+]1CCN(C(=O)c2ccnc(C[NH3+])c2)C[C@@H]1C ZINC000361619391 532963450 /nfs/dbraw/zinc/96/34/50/532963450.db2.gz FTRCILNYNFNXTL-LBPRGKRZSA-N 2 2 292.383 0.333 20 0 CCADLP O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000574787164 335047257 /nfs/dbraw/zinc/04/72/57/335047257.db2.gz MNXNQYNNPYHGLM-UTUOFQBUSA-N 2 2 289.383 0.803 20 0 CCADLP Cc1cc(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c(C)c[nH+]1 ZINC000571532680 291820998 /nfs/dbraw/zinc/82/09/98/291820998.db2.gz BWXYDCXTSCTJDD-TXEJJXNPSA-N 2 2 260.341 0.803 20 0 CCADLP COCCN1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)CC1=O ZINC000190807892 285018042 /nfs/dbraw/zinc/01/80/42/285018042.db2.gz RMLUMUOFRITMOE-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP COCCN1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)CC1=O ZINC000190807892 285018046 /nfs/dbraw/zinc/01/80/46/285018046.db2.gz RMLUMUOFRITMOE-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP COCCN1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1=O ZINC000190807892 285018049 /nfs/dbraw/zinc/01/80/49/285018049.db2.gz RMLUMUOFRITMOE-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP COCCN1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1=O ZINC000190807892 285018052 /nfs/dbraw/zinc/01/80/52/285018052.db2.gz RMLUMUOFRITMOE-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP C[C@@]1(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CC[NH2+]C1 ZINC000335283707 208099253 /nfs/dbraw/zinc/09/92/53/208099253.db2.gz PQMGQKHIDVIYBB-GXSJLCMTSA-N 2 2 261.316 0.347 20 0 CCADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000335285503 208102246 /nfs/dbraw/zinc/10/22/46/208102246.db2.gz YLCOMYPDVQZYIJ-SFYZADRCSA-N 2 2 283.269 0.345 20 0 CCADLP O=C(COC1C[NH2+]C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000574806735 335048645 /nfs/dbraw/zinc/04/86/45/335048645.db2.gz SDWUFFNNAOMSTP-UHFFFAOYSA-N 2 2 295.408 0.381 20 0 CCADLP C[NH+](C)CCOCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657437349 412989142 /nfs/dbraw/zinc/98/91/42/412989142.db2.gz KEQBZWMGJFFCLE-UHFFFAOYSA-N 3 2 252.362 0.497 20 0 CCADLP CC(C)COC[C@H](O)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000572276810 291869194 /nfs/dbraw/zinc/86/91/94/291869194.db2.gz KJUFTHXNYMCYCB-QWHCGFSZSA-N 2 2 267.373 0.821 20 0 CCADLP CN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261676423 285156129 /nfs/dbraw/zinc/15/61/29/285156129.db2.gz GRQMOJDQMWSPQF-SNVBAGLBSA-N 2 2 267.295 0.678 20 0 CCADLP CN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261676423 285156131 /nfs/dbraw/zinc/15/61/31/285156131.db2.gz GRQMOJDQMWSPQF-SNVBAGLBSA-N 2 2 267.295 0.678 20 0 CCADLP [NH3+]C[C@H](NC(=O)[C@H]([NH3+])c1cscn1)C1CCCC1 ZINC000572475159 291881357 /nfs/dbraw/zinc/88/13/57/291881357.db2.gz XIZPMGYUPGXIQS-GXSJLCMTSA-N 2 2 268.386 0.777 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@H]2CCc3c(nnn3C)C2)n1C ZINC000657504784 413014225 /nfs/dbraw/zinc/01/42/25/413014225.db2.gz LKGNRNANGDNBON-JTQLQIEISA-N 2 2 260.345 0.504 20 0 CCADLP C[N@H+](CC(=O)NCCOc1cccc(F)c1)C1CC([NH3+])C1 ZINC000420328554 285242279 /nfs/dbraw/zinc/24/22/79/285242279.db2.gz HPBRGOUNNFKIBZ-UHFFFAOYSA-N 2 2 295.358 0.742 20 0 CCADLP C[N@@H+](CC(=O)NCCOc1cccc(F)c1)C1CC([NH3+])C1 ZINC000420328554 285242283 /nfs/dbraw/zinc/24/22/83/285242283.db2.gz HPBRGOUNNFKIBZ-UHFFFAOYSA-N 2 2 295.358 0.742 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000522286956 285297466 /nfs/dbraw/zinc/29/74/66/285297466.db2.gz WZVCRJXIROVHII-GFCCVEGCSA-N 2 2 257.378 0.165 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000522286956 285297468 /nfs/dbraw/zinc/29/74/68/285297468.db2.gz WZVCRJXIROVHII-GFCCVEGCSA-N 2 2 257.378 0.165 20 0 CCADLP CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000657602252 413034485 /nfs/dbraw/zinc/03/44/85/413034485.db2.gz FGYMBPVQGXBWFC-VXGBXAGGSA-N 2 2 295.364 0.236 20 0 CCADLP CS(=O)(=O)CC1(C[N@@H+]2CCC[C@H](C[NH3+])C2)CC1 ZINC000575046880 335058743 /nfs/dbraw/zinc/05/87/43/335058743.db2.gz QOZBIESCFWHHHJ-LLVKDONJSA-N 2 2 260.403 0.482 20 0 CCADLP CS(=O)(=O)CC1(C[N@H+]2CCC[C@H](C[NH3+])C2)CC1 ZINC000575046880 335058745 /nfs/dbraw/zinc/05/87/45/335058745.db2.gz QOZBIESCFWHHHJ-LLVKDONJSA-N 2 2 260.403 0.482 20 0 CCADLP [NH3+]CC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000019687536 388792923 /nfs/dbraw/zinc/79/29/23/388792923.db2.gz NMNDYLAIUVLJSO-UHFFFAOYSA-N 2 2 267.760 0.943 20 0 CCADLP COC[C@H]([NH2+]CCn1cc[nH+]c1)C1CCOCC1 ZINC000187694280 388891703 /nfs/dbraw/zinc/89/17/03/388891703.db2.gz GRWKGBLZWHLUFJ-ZDUSSCGKSA-N 2 2 253.346 0.914 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000290591290 388908168 /nfs/dbraw/zinc/90/81/68/388908168.db2.gz BFLASTLSHUNBBY-QWHCGFSZSA-N 2 2 277.372 0.846 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000290591290 388908170 /nfs/dbraw/zinc/90/81/70/388908170.db2.gz BFLASTLSHUNBBY-QWHCGFSZSA-N 2 2 277.372 0.846 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)c1coc(C[NH3+])c1 ZINC000188076019 388911941 /nfs/dbraw/zinc/91/19/41/388911941.db2.gz GWTIXARWBROXGF-SNVBAGLBSA-N 2 2 267.329 0.189 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)NCc2c[nH+]cn2C)C[N@@H+]1C1CC1 ZINC000290803581 388913602 /nfs/dbraw/zinc/91/36/02/388913602.db2.gz UZHDCXMZMNCRIC-WDEREUQCSA-N 2 2 277.372 0.845 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)NCc2c[nH+]cn2C)C[N@H+]1C1CC1 ZINC000290803581 388913603 /nfs/dbraw/zinc/91/36/03/388913603.db2.gz UZHDCXMZMNCRIC-WDEREUQCSA-N 2 2 277.372 0.845 20 0 CCADLP CC[C@H]1CN(C(=O)c2coc(C[NH3+])c2)CC[N@@H+]1C[C@@H](C)O ZINC000188187691 388917129 /nfs/dbraw/zinc/91/71/29/388917129.db2.gz FVXWNYIOKMSCEU-YPMHNXCESA-N 2 2 295.383 0.656 20 0 CCADLP CC[C@H]1CN(C(=O)c2coc(C[NH3+])c2)CC[N@H+]1C[C@@H](C)O ZINC000188187691 388917134 /nfs/dbraw/zinc/91/71/34/388917134.db2.gz FVXWNYIOKMSCEU-YPMHNXCESA-N 2 2 295.383 0.656 20 0 CCADLP Cc1cnccc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000295242202 388996519 /nfs/dbraw/zinc/99/65/19/388996519.db2.gz SVGQYHRXNJPSFI-AWEZNQCLSA-N 2 2 276.384 0.819 20 0 CCADLP Cc1cnccc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000295242202 388996521 /nfs/dbraw/zinc/99/65/21/388996521.db2.gz SVGQYHRXNJPSFI-AWEZNQCLSA-N 2 2 276.384 0.819 20 0 CCADLP CC(C)[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000336787728 389018288 /nfs/dbraw/zinc/01/82/88/389018288.db2.gz MOTLJZXNMIFQTE-KBPBESRZSA-N 2 2 256.390 0.657 20 0 CCADLP CC(C)[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000336787728 389018291 /nfs/dbraw/zinc/01/82/91/389018291.db2.gz MOTLJZXNMIFQTE-KBPBESRZSA-N 2 2 256.390 0.657 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CC[NH+](C)CC[C@@H]1C ZINC000355400795 389072508 /nfs/dbraw/zinc/07/25/08/389072508.db2.gz VMEGWMCZVTVBCF-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CC[NH+](C)CC[C@@H]1C ZINC000355400795 389072511 /nfs/dbraw/zinc/07/25/11/389072511.db2.gz VMEGWMCZVTVBCF-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000355400795 389072513 /nfs/dbraw/zinc/07/25/13/389072513.db2.gz VMEGWMCZVTVBCF-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000355400795 389072514 /nfs/dbraw/zinc/07/25/14/389072514.db2.gz VMEGWMCZVTVBCF-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP C[NH+](C)C1CC[NH+](C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000193811939 389079996 /nfs/dbraw/zinc/07/99/96/389079996.db2.gz CWNQMQOWTOTSOX-HUUCEWRRSA-N 2 2 286.416 0.569 20 0 CCADLP C[NH+](C)C1CC[NH+](CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000193823324 389081104 /nfs/dbraw/zinc/08/11/04/389081104.db2.gz BPDYRAGHAZCHMZ-UHFFFAOYSA-N 2 2 282.388 0.343 20 0 CCADLP CN(C)c1nc(N2CC[NH+](CCCCCO)CC2)cc[nH+]1 ZINC000304263405 389082288 /nfs/dbraw/zinc/08/22/88/389082288.db2.gz GJMFQNJQCLLBCH-UHFFFAOYSA-N 2 2 293.415 0.827 20 0 CCADLP C[C@@H](CNC(=O)N1CC[N@H+](C)CC[C@H]1C)[NH+]1CCOCC1 ZINC000355479927 389083105 /nfs/dbraw/zinc/08/31/05/389083105.db2.gz KQTOTMGZGSOAFU-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H](CNC(=O)N1CC[N@@H+](C)CC[C@H]1C)[NH+]1CCOCC1 ZINC000355479927 389083108 /nfs/dbraw/zinc/08/31/08/389083108.db2.gz KQTOTMGZGSOAFU-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP CCC[NH+]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000338169825 389083331 /nfs/dbraw/zinc/08/33/31/389083331.db2.gz CLVZCPFLJFTWBS-UHFFFAOYSA-N 2 2 283.416 0.651 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)CC(C)(C)OC ZINC000310757733 389097691 /nfs/dbraw/zinc/09/76/91/389097691.db2.gz LSYKGMZNWQWIIR-LBPRGKRZSA-N 2 2 262.394 0.282 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)CC(C)(C)OC ZINC000310757733 389097693 /nfs/dbraw/zinc/09/76/93/389097693.db2.gz LSYKGMZNWQWIIR-LBPRGKRZSA-N 2 2 262.394 0.282 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)CC(C)(C)OC ZINC000310757733 389097694 /nfs/dbraw/zinc/09/76/94/389097694.db2.gz LSYKGMZNWQWIIR-LBPRGKRZSA-N 2 2 262.394 0.282 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)CC(C)(C)OC ZINC000310757733 389097696 /nfs/dbraw/zinc/09/76/96/389097696.db2.gz LSYKGMZNWQWIIR-LBPRGKRZSA-N 2 2 262.394 0.282 20 0 CCADLP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310804350 389098383 /nfs/dbraw/zinc/09/83/83/389098383.db2.gz BBFHVVKJRALZDJ-ZDUSSCGKSA-N 3 2 252.362 0.236 20 0 CCADLP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000310804350 389098386 /nfs/dbraw/zinc/09/83/86/389098386.db2.gz BBFHVVKJRALZDJ-ZDUSSCGKSA-N 3 2 252.362 0.236 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)CC(C)(C)O1 ZINC000311123439 389101463 /nfs/dbraw/zinc/10/14/63/389101463.db2.gz YEHOODVPILPTKG-YPMHNXCESA-N 2 2 256.390 0.941 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)CC(C)(C)O1 ZINC000311123439 389101465 /nfs/dbraw/zinc/10/14/65/389101465.db2.gz YEHOODVPILPTKG-YPMHNXCESA-N 2 2 256.390 0.941 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC(C)(C)O1 ZINC000311123439 389101468 /nfs/dbraw/zinc/10/14/68/389101468.db2.gz YEHOODVPILPTKG-YPMHNXCESA-N 2 2 256.390 0.941 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC(C)(C)O1 ZINC000311123439 389101469 /nfs/dbraw/zinc/10/14/69/389101469.db2.gz YEHOODVPILPTKG-YPMHNXCESA-N 2 2 256.390 0.941 20 0 CCADLP C[C@@H]1CCC[C@H](NC(=O)C[N@H+](C)C[C@@H](O)C[NH3+])[C@@H]1C ZINC000311911811 389106291 /nfs/dbraw/zinc/10/62/91/389106291.db2.gz RGHPFJDXDXILAT-NDBYEHHHSA-N 2 2 271.405 0.179 20 0 CCADLP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])[C@@H]1C ZINC000311911811 389106293 /nfs/dbraw/zinc/10/62/93/389106293.db2.gz RGHPFJDXDXILAT-NDBYEHHHSA-N 2 2 271.405 0.179 20 0 CCADLP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000312346124 389107772 /nfs/dbraw/zinc/10/77/72/389107772.db2.gz LVWNWFSTMSHPTI-LSDHHAIUSA-N 2 2 279.432 0.743 20 0 CCADLP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000312346124 389107774 /nfs/dbraw/zinc/10/77/74/389107774.db2.gz LVWNWFSTMSHPTI-LSDHHAIUSA-N 2 2 279.432 0.743 20 0 CCADLP C[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000226402072 389148179 /nfs/dbraw/zinc/14/81/79/389148179.db2.gz FVHMFPMSUZDVRW-WFASDCNBSA-N 2 2 273.380 0.863 20 0 CCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000226402072 389148181 /nfs/dbraw/zinc/14/81/81/389148181.db2.gz FVHMFPMSUZDVRW-WFASDCNBSA-N 2 2 273.380 0.863 20 0 CCADLP C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000227121908 389149403 /nfs/dbraw/zinc/14/94/03/389149403.db2.gz DDIIIVKMOPNVHU-ZWNOBZJWSA-N 2 2 268.361 0.116 20 0 CCADLP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000360833133 389205405 /nfs/dbraw/zinc/20/54/05/389205405.db2.gz MEBLIBXHLZZHNE-MXWKQRLJSA-N 2 2 273.327 0.679 20 0 CCADLP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000360833133 389205409 /nfs/dbraw/zinc/20/54/09/389205409.db2.gz MEBLIBXHLZZHNE-MXWKQRLJSA-N 2 2 273.327 0.679 20 0 CCADLP C[NH2+]CCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000237121646 389181903 /nfs/dbraw/zinc/18/19/03/389181903.db2.gz GZWCXAXWQPSRBY-UHFFFAOYSA-N 2 2 277.368 0.468 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000237128579 389182680 /nfs/dbraw/zinc/18/26/80/389182680.db2.gz BKKJYSIOCKRYGL-NSHDSACASA-N 2 2 260.341 0.849 20 0 CCADLP CCC[N@H+](C)CC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000342255811 389202991 /nfs/dbraw/zinc/20/29/91/389202991.db2.gz UWRYFAGSHPQSHV-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000342255811 389202996 /nfs/dbraw/zinc/20/29/96/389202996.db2.gz UWRYFAGSHPQSHV-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP Cc1ccc([C@H]([NH3+])C(=O)N[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000228092162 389153254 /nfs/dbraw/zinc/15/32/54/389153254.db2.gz XFIUJSSUINZONO-HIFRSBDPSA-N 2 2 291.395 0.832 20 0 CCADLP CC[C@H](C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)[NH+](C)C ZINC000124659727 389162398 /nfs/dbraw/zinc/16/23/98/389162398.db2.gz IBRDPXAWGMUAFI-ZIAGYGMSSA-N 2 2 285.432 0.800 20 0 CCADLP C[C@H](O)C[N@H+](C)C1CC[NH+]([C@@H](C)CN2CCOCC2)CC1 ZINC000340922104 389167626 /nfs/dbraw/zinc/16/76/26/389167626.db2.gz OSRAEUFEYBCMEM-GJZGRUSLSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@H](O)C[N@@H+](C)C1CC[NH+]([C@@H](C)CN2CCOCC2)CC1 ZINC000340922104 389167628 /nfs/dbraw/zinc/16/76/28/389167628.db2.gz OSRAEUFEYBCMEM-GJZGRUSLSA-N 2 2 299.459 0.484 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000363641533 389251236 /nfs/dbraw/zinc/25/12/36/389251236.db2.gz OYLLHXKQYHEIAV-KGLIPLIRSA-N 2 2 292.383 0.331 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000330960981 389264260 /nfs/dbraw/zinc/26/42/60/389264260.db2.gz POTFLLBLYWDDSU-LLVKDONJSA-N 2 2 250.346 0.943 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000330960981 389264263 /nfs/dbraw/zinc/26/42/63/389264263.db2.gz POTFLLBLYWDDSU-LLVKDONJSA-N 2 2 250.346 0.943 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)NCCC[NH+]1CCOCC1 ZINC000136047605 389264427 /nfs/dbraw/zinc/26/44/27/389264427.db2.gz LTJPIWYKMPWPJT-SNAWJCMRSA-N 2 2 292.383 0.755 20 0 CCADLP COCC[NH+]1CCN(Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000362304732 389232927 /nfs/dbraw/zinc/23/29/27/389232927.db2.gz ITLXMWUNXWMCQE-UHFFFAOYSA-N 2 2 281.404 0.250 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000264241282 389314455 /nfs/dbraw/zinc/31/44/55/389314455.db2.gz XFKAOOPXWBVQLG-JTQLQIEISA-N 2 2 251.334 0.314 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000264241282 389314458 /nfs/dbraw/zinc/31/44/58/389314458.db2.gz XFKAOOPXWBVQLG-JTQLQIEISA-N 2 2 251.334 0.314 20 0 CCADLP COCCN(CC[NH+](C)C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000264258974 389316706 /nfs/dbraw/zinc/31/67/06/389316706.db2.gz LSGBJGHLYMXDLL-ZDUSSCGKSA-N 2 2 297.403 0.491 20 0 CCADLP COC(=O)c1ccc(C[N@H+](CCO)C2CC[NH+](C)CC2)o1 ZINC000264380104 389324790 /nfs/dbraw/zinc/32/47/90/389324790.db2.gz PEWGOVPTHOSJIO-UHFFFAOYSA-N 2 2 296.367 0.955 20 0 CCADLP COC(=O)c1ccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)o1 ZINC000264380104 389324792 /nfs/dbraw/zinc/32/47/92/389324792.db2.gz PEWGOVPTHOSJIO-UHFFFAOYSA-N 2 2 296.367 0.955 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000264481933 389331471 /nfs/dbraw/zinc/33/14/71/389331471.db2.gz XYZPMULSXZYNLZ-GFCCVEGCSA-N 2 2 262.357 0.964 20 0 CCADLP COC(=O)CCNC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367598507 389335633 /nfs/dbraw/zinc/33/56/33/389335633.db2.gz FLXPNGHKWPOQOS-FUNVUKJBSA-N 2 2 297.399 0.223 20 0 CCADLP COC(=O)CCNC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367598507 389335637 /nfs/dbraw/zinc/33/56/37/389335637.db2.gz FLXPNGHKWPOQOS-FUNVUKJBSA-N 2 2 297.399 0.223 20 0 CCADLP COC(=O)CCNC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367598507 389335640 /nfs/dbraw/zinc/33/56/40/389335640.db2.gz FLXPNGHKWPOQOS-FUNVUKJBSA-N 2 2 297.399 0.223 20 0 CCADLP COC(=O)CCNC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367598507 389335644 /nfs/dbraw/zinc/33/56/44/389335644.db2.gz FLXPNGHKWPOQOS-FUNVUKJBSA-N 2 2 297.399 0.223 20 0 CCADLP C[NH+](C)C/C=C/C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000264644268 389341472 /nfs/dbraw/zinc/34/14/72/389341472.db2.gz RDVJCFYURMCQRK-FNORWQNLSA-N 2 2 288.395 0.844 20 0 CCADLP C[C@@H]1CN(Cc2ncc(C[NH+](C)C)s2)CC[N@@H+]1CCO ZINC000348183104 389367071 /nfs/dbraw/zinc/36/70/71/389367071.db2.gz AFSCQMYBSNIEPS-GFCCVEGCSA-N 2 2 298.456 0.703 20 0 CCADLP C[C@@H]1CN(Cc2ncc(C[NH+](C)C)s2)CC[N@H+]1CCO ZINC000348183104 389367074 /nfs/dbraw/zinc/36/70/74/389367074.db2.gz AFSCQMYBSNIEPS-GFCCVEGCSA-N 2 2 298.456 0.703 20 0 CCADLP CC(=O)CCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368528217 389380032 /nfs/dbraw/zinc/38/00/32/389380032.db2.gz OQIXGPZZHVNBNC-OAHLLOKOSA-N 2 2 295.427 0.983 20 0 CCADLP CC(=O)CCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368528217 389380035 /nfs/dbraw/zinc/38/00/35/389380035.db2.gz OQIXGPZZHVNBNC-OAHLLOKOSA-N 2 2 295.427 0.983 20 0 CCADLP CO[C@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369279479 389393110 /nfs/dbraw/zinc/39/31/10/389393110.db2.gz XJHAGXCPOYUWBV-NEPJUHHUSA-N 2 2 269.389 0.306 20 0 CCADLP CO[C@H](C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369279479 389393113 /nfs/dbraw/zinc/39/31/13/389393113.db2.gz XJHAGXCPOYUWBV-NEPJUHHUSA-N 2 2 269.389 0.306 20 0 CCADLP CN(C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000369363992 389395115 /nfs/dbraw/zinc/39/51/15/389395115.db2.gz PCJVJWBWNLLWSM-GFCCVEGCSA-N 2 2 280.416 0.959 20 0 CCADLP CN(C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000369363992 389395119 /nfs/dbraw/zinc/39/51/19/389395119.db2.gz PCJVJWBWNLLWSM-GFCCVEGCSA-N 2 2 280.416 0.959 20 0 CCADLP CC[C@@H](CO)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369373305 389396006 /nfs/dbraw/zinc/39/60/06/389396006.db2.gz OTHJTFBVBILCEN-STQMWFEESA-N 2 2 298.431 0.225 20 0 CCADLP CC[C@@H](CO)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369373305 389396007 /nfs/dbraw/zinc/39/60/07/389396007.db2.gz OTHJTFBVBILCEN-STQMWFEESA-N 2 2 298.431 0.225 20 0 CCADLP CC[C@](C)(O)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000162011538 389412979 /nfs/dbraw/zinc/41/29/79/389412979.db2.gz PLVUKZFJASWQTN-HIFRSBDPSA-N 2 2 283.416 0.562 20 0 CCADLP CC[C@](C)(O)C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000162011538 389412982 /nfs/dbraw/zinc/41/29/82/389412982.db2.gz PLVUKZFJASWQTN-HIFRSBDPSA-N 2 2 283.416 0.562 20 0 CCADLP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CC[NH+](C)CC1 ZINC000349376186 389413181 /nfs/dbraw/zinc/41/31/81/389413181.db2.gz FGIIRCZNMBTAMS-CQSZACIVSA-N 3 2 268.449 0.696 20 0 CCADLP CN(CCCN1CC[NH+](C)CC1)C(=O)CCn1cc[nH+]c1 ZINC000264706631 389347914 /nfs/dbraw/zinc/34/79/14/389347914.db2.gz CZYVTUJJEAPXNR-UHFFFAOYSA-N 2 2 293.415 0.369 20 0 CCADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)CCn1cc[nH+]c1 ZINC000264706631 389347918 /nfs/dbraw/zinc/34/79/18/389347918.db2.gz CZYVTUJJEAPXNR-UHFFFAOYSA-N 2 2 293.415 0.369 20 0 CCADLP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000334235651 389462046 /nfs/dbraw/zinc/46/20/46/389462046.db2.gz HIHGPOUUGPRYCQ-GXTWGEPZSA-N 2 2 276.384 0.998 20 0 CCADLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000422744837 389465005 /nfs/dbraw/zinc/46/50/05/389465005.db2.gz UGEROVGUGVYXEZ-KKUMJFAQSA-N 3 2 296.459 0.694 20 0 CCADLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000422744837 389465009 /nfs/dbraw/zinc/46/50/09/389465009.db2.gz UGEROVGUGVYXEZ-KKUMJFAQSA-N 3 2 296.459 0.694 20 0 CCADLP C[C@H]1COCC[NH+](CC(O)C[N@H+]2CCOC[C@H](C)C2)C1 ZINC000373171818 389465470 /nfs/dbraw/zinc/46/54/70/389465470.db2.gz CFZQJOKTZZPHKS-ZIAGYGMSSA-N 2 2 286.416 0.284 20 0 CCADLP C[C@H]1COCC[NH+](CC(O)C[N@@H+]2CCOC[C@H](C)C2)C1 ZINC000373171818 389465473 /nfs/dbraw/zinc/46/54/73/389465473.db2.gz CFZQJOKTZZPHKS-ZIAGYGMSSA-N 2 2 286.416 0.284 20 0 CCADLP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H](C)[NH+](C)C)CC[NH2+]CC1 ZINC000422747427 389466619 /nfs/dbraw/zinc/46/66/19/389466619.db2.gz YQFKUGHXQVASCA-CHWSQXEVSA-N 3 2 285.432 0.848 20 0 CCADLP CC(C)[C@H](O)CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422776567 389472652 /nfs/dbraw/zinc/47/26/52/389472652.db2.gz CZSWGZOLRKZBTG-RDBSUJKOSA-N 2 2 256.390 0.750 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCCC[NH+]1CCCCC1 ZINC000422780060 389473541 /nfs/dbraw/zinc/47/35/41/389473541.db2.gz GRTBSJDPHIVNDX-UONOGXRCSA-N 2 2 283.416 0.746 20 0 CCADLP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000422859252 389494149 /nfs/dbraw/zinc/49/41/49/389494149.db2.gz HFVPNJDCFKXTOP-AGIUHOORSA-N 3 2 255.406 0.955 20 0 CCADLP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000422859252 389494152 /nfs/dbraw/zinc/49/41/52/389494152.db2.gz HFVPNJDCFKXTOP-AGIUHOORSA-N 3 2 255.406 0.955 20 0 CCADLP CCN(CC)S(=O)(=O)CC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422859887 389494163 /nfs/dbraw/zinc/49/41/63/389494163.db2.gz LFGPCNGQWJRLFW-NWDGAFQWSA-N 2 2 277.434 0.246 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000422782348 389474469 /nfs/dbraw/zinc/47/44/69/389474469.db2.gz LRYIKBOEKIZFPY-RBSFLKMASA-N 2 2 297.443 0.990 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCCC[NH+]1CCC(C)CC1 ZINC000422783637 389474533 /nfs/dbraw/zinc/47/45/33/389474533.db2.gz NEDZAHCJXMDOAW-LSDHHAIUSA-N 2 2 297.443 0.992 20 0 CCADLP Nc1[nH+]cnc(N2CC[C@H](C[NH+]3CCOCC3)C2)c1Cl ZINC000273082326 389475091 /nfs/dbraw/zinc/47/50/91/389475091.db2.gz HSDGTGMILBBUGG-SNVBAGLBSA-N 2 2 297.790 0.871 20 0 CCADLP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000422860557 389494190 /nfs/dbraw/zinc/49/41/90/389494190.db2.gz LOPYQPIKKLBDGC-QLFBSQMISA-N 3 2 268.449 0.743 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)c1ccco1)[C@H]1CCC[NH2+]1 ZINC000422807440 389478856 /nfs/dbraw/zinc/47/88/56/389478856.db2.gz OWTPKRHOJQRGFZ-WDEREUQCSA-N 2 2 251.330 0.740 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C[C@H](C)[NH2+]1 ZINC000422816078 389480554 /nfs/dbraw/zinc/48/05/54/389480554.db2.gz DGNSUDJCXNWHML-VNHYZAJKSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C[C@H](C)[NH2+]1 ZINC000422816078 389480555 /nfs/dbraw/zinc/48/05/55/389480555.db2.gz DGNSUDJCXNWHML-VNHYZAJKSA-N 2 2 295.427 0.839 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CCC([NH2+]C)CC1 ZINC000422826317 389483687 /nfs/dbraw/zinc/48/36/87/389483687.db2.gz QQDRDDFUFIPDLW-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CCC([NH2+]C)CC1 ZINC000422826317 389483691 /nfs/dbraw/zinc/48/36/91/389483691.db2.gz QQDRDDFUFIPDLW-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000422825490 389484190 /nfs/dbraw/zinc/48/41/90/389484190.db2.gz PUQCQUNBMZZAEA-HUUCEWRRSA-N 2 2 297.443 0.993 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000422825490 389484194 /nfs/dbraw/zinc/48/41/94/389484194.db2.gz PUQCQUNBMZZAEA-HUUCEWRRSA-N 2 2 297.443 0.993 20 0 CCADLP COCC[N@H+](C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422843722 389489584 /nfs/dbraw/zinc/48/95/84/389489584.db2.gz JHMDKAHROYILEL-PBWFPOADSA-N 3 2 255.406 0.827 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422843722 389489587 /nfs/dbraw/zinc/48/95/87/389489587.db2.gz JHMDKAHROYILEL-PBWFPOADSA-N 3 2 255.406 0.827 20 0 CCADLP CC(C)NS(=O)(=O)[C@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000162563675 389420951 /nfs/dbraw/zinc/42/09/51/389420951.db2.gz GROFWRNDSMOENN-LBPRGKRZSA-N 2 2 286.401 0.285 20 0 CCADLP CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000162563675 389420955 /nfs/dbraw/zinc/42/09/55/389420955.db2.gz GROFWRNDSMOENN-LBPRGKRZSA-N 2 2 286.401 0.285 20 0 CCADLP C[C@@H](O)CN(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371408680 389432078 /nfs/dbraw/zinc/43/20/78/389432078.db2.gz IKTOYICWKRSOJX-OLZOCXBDSA-N 2 2 298.431 0.177 20 0 CCADLP C[C@@H](O)CN(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371408680 389432082 /nfs/dbraw/zinc/43/20/82/389432082.db2.gz IKTOYICWKRSOJX-OLZOCXBDSA-N 2 2 298.431 0.177 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)n(C)n1 ZINC000422633869 389447978 /nfs/dbraw/zinc/44/79/78/389447978.db2.gz IXLBPKVGBNXFCZ-UHTWSYAYSA-N 2 2 293.415 0.972 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)n(C)n1 ZINC000422633869 389447982 /nfs/dbraw/zinc/44/79/82/389447982.db2.gz IXLBPKVGBNXFCZ-UHTWSYAYSA-N 2 2 293.415 0.972 20 0 CCADLP CC(C)CNC(=O)[C@@H](C)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422625853 389448059 /nfs/dbraw/zinc/44/80/59/389448059.db2.gz CTHUFJXESUAIDP-GFCCVEGCSA-N 2 2 253.390 0.975 20 0 CCADLP [NH3+]C[C@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)C1CC1 ZINC000422854714 389493096 /nfs/dbraw/zinc/49/30/96/389493096.db2.gz BIDZCFBPLTUZIH-ZDUSSCGKSA-N 2 2 271.324 0.734 20 0 CCADLP COC(=O)[C@@]1(F)CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000272002675 389455902 /nfs/dbraw/zinc/45/59/02/389455902.db2.gz RVPFEFCFFRGVHA-GFCCVEGCSA-N 2 2 255.293 0.860 20 0 CCADLP COC(=O)[C@@]1(F)CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000272002675 389455906 /nfs/dbraw/zinc/45/59/06/389455906.db2.gz RVPFEFCFFRGVHA-GFCCVEGCSA-N 2 2 255.293 0.860 20 0 CCADLP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)CN1CC[NH+](C)CC1 ZINC000422709734 389456746 /nfs/dbraw/zinc/45/67/46/389456746.db2.gz DVWXFBTZWCNDTA-HRCADAONSA-N 3 2 282.476 0.990 20 0 CCADLP CCn1cc[nH+]c1CN1CC[N@H+](C)C[C@H](C(=O)OC)C1 ZINC000411904506 389458240 /nfs/dbraw/zinc/45/82/40/389458240.db2.gz MCSZPUZVJSOECI-LBPRGKRZSA-N 2 2 280.372 0.440 20 0 CCADLP CCn1cc[nH+]c1CN1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC000411904506 389458241 /nfs/dbraw/zinc/45/82/41/389458241.db2.gz MCSZPUZVJSOECI-LBPRGKRZSA-N 2 2 280.372 0.440 20 0 CCADLP C[C@@H]1C[C@H]1N1C[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1=O ZINC000422919524 389505974 /nfs/dbraw/zinc/50/59/74/389505974.db2.gz JWEFAHXJKDVHCC-NJMOYASZSA-N 2 2 251.374 0.583 20 0 CCADLP C[NH+](C)CCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000373718109 389509685 /nfs/dbraw/zinc/50/96/85/389509685.db2.gz BFZKDMAJCVZWIN-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+](C)CCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000373718109 389509687 /nfs/dbraw/zinc/50/96/87/389509687.db2.gz BFZKDMAJCVZWIN-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@H]1CSC[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000334942466 389511551 /nfs/dbraw/zinc/51/15/51/389511551.db2.gz CRZSHQHRNCNSHT-QWRGUYRKSA-N 2 2 257.403 0.102 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000422979999 389515823 /nfs/dbraw/zinc/51/58/23/389515823.db2.gz OHCMVXPFEXINSU-IHRRRGAJSA-N 3 2 257.422 0.795 20 0 CCADLP c1ccc(NCC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)nc1 ZINC000423009181 389521242 /nfs/dbraw/zinc/52/12/42/389521242.db2.gz VCRCVUSVJJMIML-ZFWWWQNUSA-N 2 2 276.384 0.850 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1)[C@H]1CCCC[NH2+]1 ZINC000423019225 389522302 /nfs/dbraw/zinc/52/23/02/389522302.db2.gz UTHBXZYBCVRSEL-FQUUOJAGSA-N 2 2 283.416 0.742 20 0 CCADLP C[C@@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)[C@@H]1CCCC[NH2+]1 ZINC000423023038 389524002 /nfs/dbraw/zinc/52/40/02/389524002.db2.gz GOVDDWAVNUYVBR-YUELXQCFSA-N 2 2 267.417 0.970 20 0 CCADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC(=O)NCC(F)F ZINC000423103686 389535252 /nfs/dbraw/zinc/53/52/52/389535252.db2.gz XVQKFXLKTBZMHG-JQWIXIFHSA-N 2 2 285.338 0.916 20 0 CCADLP C[C@H](NC[C@@H]1CCCC[N@@H+]1CCO)c1c[nH+]ccc1N ZINC000423142844 389542108 /nfs/dbraw/zinc/54/21/08/389542108.db2.gz BJNIYIGOHMDTQY-STQMWFEESA-N 2 2 278.400 0.992 20 0 CCADLP C[C@H](NC[C@@H]1CCCC[N@H+]1CCO)c1c[nH+]ccc1N ZINC000423142844 389542112 /nfs/dbraw/zinc/54/21/12/389542112.db2.gz BJNIYIGOHMDTQY-STQMWFEESA-N 2 2 278.400 0.992 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CCCCN1CCO)c1c[nH+]ccc1N ZINC000423142844 389542118 /nfs/dbraw/zinc/54/21/18/389542118.db2.gz BJNIYIGOHMDTQY-STQMWFEESA-N 2 2 278.400 0.992 20 0 CCADLP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000423144184 389542775 /nfs/dbraw/zinc/54/27/75/389542775.db2.gz GGTDZYYJXXWROP-KBPBESRZSA-N 3 2 257.422 0.940 20 0 CCADLP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000423144184 389542781 /nfs/dbraw/zinc/54/27/81/389542781.db2.gz GGTDZYYJXXWROP-KBPBESRZSA-N 3 2 257.422 0.940 20 0 CCADLP C[C@H]([NH2+][C@H]1C[C@@H]2CCCCN2C1=O)[C@@H]1CCC[NH2+]1 ZINC000423159173 389545550 /nfs/dbraw/zinc/54/55/50/389545550.db2.gz FLQPEUBDYKLUHJ-CYDGBPFRSA-N 2 2 251.374 0.870 20 0 CCADLP CN(C)S(=O)(=O)c1cccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])c1 ZINC000423160630 389547031 /nfs/dbraw/zinc/54/70/31/389547031.db2.gz ZYNKWHVEUPMTFI-KBPBESRZSA-N 2 2 297.424 0.906 20 0 CCADLP [NH3+]C[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2c(F)cccc2F)C1 ZINC000335418148 389555926 /nfs/dbraw/zinc/55/59/26/389555926.db2.gz QQSHYLUGAWIKDP-UFBFGSQYSA-N 2 2 269.295 0.772 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@@H]([NH3+])c1ccccc1 ZINC000423249106 389556980 /nfs/dbraw/zinc/55/69/80/389556980.db2.gz OFRZGDNKGATZFQ-HZSPNIEDSA-N 2 2 277.368 0.570 20 0 CCADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)c1 ZINC000423267227 389558992 /nfs/dbraw/zinc/55/89/92/389558992.db2.gz CNHJWTKGYCJGEQ-HZMBPMFUSA-N 2 2 297.424 0.983 20 0 CCADLP O[C@H](Cn1cccn1)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374211282 389559157 /nfs/dbraw/zinc/55/91/57/389559157.db2.gz ZEWXTVLDNTZEBQ-ZDUSSCGKSA-N 2 2 275.356 0.847 20 0 CCADLP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423331166 389566572 /nfs/dbraw/zinc/56/65/72/389566572.db2.gz PTDLQXMNWOOUIO-GHMZBOCLSA-N 2 2 285.413 0.935 20 0 CCADLP CCCNC(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374322420 389567379 /nfs/dbraw/zinc/56/73/79/389567379.db2.gz CWPNDVQENKOMQC-LSDHHAIUSA-N 2 2 296.459 0.470 20 0 CCADLP CCCNC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374322420 389567382 /nfs/dbraw/zinc/56/73/82/389567382.db2.gz CWPNDVQENKOMQC-LSDHHAIUSA-N 2 2 296.459 0.470 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCC[N@H+](C)C(C)C ZINC000422882355 389498154 /nfs/dbraw/zinc/49/81/54/389498154.db2.gz SAGNDQIFJYDUOD-NWDGAFQWSA-N 2 2 257.378 0.210 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCC[N@@H+](C)C(C)C ZINC000422882355 389498158 /nfs/dbraw/zinc/49/81/58/389498158.db2.gz SAGNDQIFJYDUOD-NWDGAFQWSA-N 2 2 257.378 0.210 20 0 CCADLP CC(C)[C@H](O)CC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414357065 389612592 /nfs/dbraw/zinc/61/25/92/389612592.db2.gz IHYJCYOXXGWUJB-GFCCVEGCSA-N 2 2 254.378 0.983 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000178667471 389614198 /nfs/dbraw/zinc/61/41/98/389614198.db2.gz XTVAFUCOKZESIT-ZIAGYGMSSA-N 3 2 282.432 0.223 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000178667471 389614204 /nfs/dbraw/zinc/61/42/04/389614204.db2.gz XTVAFUCOKZESIT-ZIAGYGMSSA-N 3 2 282.432 0.223 20 0 CCADLP CNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000336145476 389626460 /nfs/dbraw/zinc/62/64/60/389626460.db2.gz NLADLMYIYDDQAY-NSHDSACASA-N 2 2 254.378 0.426 20 0 CCADLP CNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000336145476 389626463 /nfs/dbraw/zinc/62/64/63/389626463.db2.gz NLADLMYIYDDQAY-NSHDSACASA-N 2 2 254.378 0.426 20 0 CCADLP CC(C)C[C@@H]([NH3+])CN1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000414691372 389626664 /nfs/dbraw/zinc/62/66/64/389626664.db2.gz JADIVHWQHPHRQW-CYBMUJFWSA-N 2 2 265.405 0.901 20 0 CCADLP CC(C)C[C@@H]([NH3+])CN1CC[NH+](CC(=O)NC(C)C)CC1 ZINC000414685244 389627652 /nfs/dbraw/zinc/62/76/52/389627652.db2.gz YMWWQYRGODJLEO-CQSZACIVSA-N 2 2 284.448 0.502 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+](CCC[NH3+])CC2)c1 ZINC000414705841 389629635 /nfs/dbraw/zinc/62/96/35/389629635.db2.gz XNRONPSWDSBWLI-UHFFFAOYSA-N 3 2 250.346 0.561 20 0 CCADLP CC(C)n1cc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cn1 ZINC000179000943 389632441 /nfs/dbraw/zinc/63/24/41/389632441.db2.gz WPHZXGXFWBJCDP-CYBMUJFWSA-N 2 2 254.378 0.866 20 0 CCADLP C[NH2+]CC[NH2+][C@@H](C)CC(=O)NCCc1ccccc1 ZINC000414831000 389639081 /nfs/dbraw/zinc/63/90/81/389639081.db2.gz PBQRCXPMEFXHBF-ZDUSSCGKSA-N 2 2 263.385 0.933 20 0 CCADLP CC[NH2+]CC[NH2+]Cc1ccc(OCC(=O)OC)cc1 ZINC000414819743 389639378 /nfs/dbraw/zinc/63/93/78/389639378.db2.gz AUXLXMYNLHEUOC-UHFFFAOYSA-N 2 2 266.341 0.938 20 0 CCADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000281956913 389639870 /nfs/dbraw/zinc/63/98/70/389639870.db2.gz SZKHQISTGUURBM-GFCCVEGCSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000281956913 389639873 /nfs/dbraw/zinc/63/98/73/389639873.db2.gz SZKHQISTGUURBM-GFCCVEGCSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000281956913 389639875 /nfs/dbraw/zinc/63/98/75/389639875.db2.gz SZKHQISTGUURBM-GFCCVEGCSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000281956913 389639877 /nfs/dbraw/zinc/63/98/77/389639877.db2.gz SZKHQISTGUURBM-GFCCVEGCSA-N 2 2 294.399 0.646 20 0 CCADLP CCOC(=O)Cn1nc(C)c(C[NH2+][C@H]2CCC[NH2+]C2)c1C ZINC000414872171 389643128 /nfs/dbraw/zinc/64/31/28/389643128.db2.gz VUJYNBIVORRVFP-ZDUSSCGKSA-N 2 2 294.399 0.905 20 0 CCADLP COC(=O)[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@H]1C ZINC000351637872 389644366 /nfs/dbraw/zinc/64/43/66/389644366.db2.gz WCWGPWKSSOAAKI-MRVWCRGKSA-N 2 2 284.400 0.573 20 0 CCADLP COC(=O)[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@H]1C ZINC000351637872 389644368 /nfs/dbraw/zinc/64/43/68/389644368.db2.gz WCWGPWKSSOAAKI-MRVWCRGKSA-N 2 2 284.400 0.573 20 0 CCADLP COC(=O)[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C[C@H]1C ZINC000351637872 389644370 /nfs/dbraw/zinc/64/43/70/389644370.db2.gz WCWGPWKSSOAAKI-MRVWCRGKSA-N 2 2 284.400 0.573 20 0 CCADLP COC(=O)[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C[C@H]1C ZINC000351637872 389644373 /nfs/dbraw/zinc/64/43/73/389644373.db2.gz WCWGPWKSSOAAKI-MRVWCRGKSA-N 2 2 284.400 0.573 20 0 CCADLP C(C[C@H]1CCC[NH2+]1)[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423356224 389572697 /nfs/dbraw/zinc/57/26/97/389572697.db2.gz JPMYFOLHHYLHSC-MGPQQGTHSA-N 3 2 253.390 0.485 20 0 CCADLP CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CCC[N@H+](C)C1 ZINC000335548443 389574299 /nfs/dbraw/zinc/57/42/99/389574299.db2.gz OJKIXCSWWPIWPP-TZMCWYRMSA-N 2 2 276.384 0.998 20 0 CCADLP CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CCC[N@@H+](C)C1 ZINC000335548443 389574302 /nfs/dbraw/zinc/57/43/02/389574302.db2.gz OJKIXCSWWPIWPP-TZMCWYRMSA-N 2 2 276.384 0.998 20 0 CCADLP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H]1CCC[N@H+](C)C1 ZINC000335548435 389575099 /nfs/dbraw/zinc/57/50/99/389575099.db2.gz OJKIXCSWWPIWPP-JSGCOSHPSA-N 2 2 276.384 0.998 20 0 CCADLP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H]1CCC[N@@H+](C)C1 ZINC000335548435 389575103 /nfs/dbraw/zinc/57/51/03/389575103.db2.gz OJKIXCSWWPIWPP-JSGCOSHPSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000423379304 389576292 /nfs/dbraw/zinc/57/62/92/389576292.db2.gz MYSBCTXUVRXMDH-OLZOCXBDSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000423379304 389576299 /nfs/dbraw/zinc/57/62/99/389576299.db2.gz MYSBCTXUVRXMDH-OLZOCXBDSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423386206 389576673 /nfs/dbraw/zinc/57/66/73/389576673.db2.gz JCRNFSWABGXJOZ-GRYCIOLGSA-N 3 2 294.365 0.410 20 0 CCADLP [NH3+][C@H](CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1)C1CC1 ZINC000423470702 389591861 /nfs/dbraw/zinc/59/18/61/389591861.db2.gz DKESZHHNZJOBBN-ZIAGYGMSSA-N 2 2 281.400 0.341 20 0 CCADLP [NH3+][C@H](CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1)C1CC1 ZINC000423470702 389591864 /nfs/dbraw/zinc/59/18/64/389591864.db2.gz DKESZHHNZJOBBN-ZIAGYGMSSA-N 2 2 281.400 0.341 20 0 CCADLP CC[NH+](CC)CC(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000414047655 389598543 /nfs/dbraw/zinc/59/85/43/389598543.db2.gz COSXKNAGUOGLRQ-UHFFFAOYSA-N 2 2 285.432 0.897 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCCCC[NH3+] ZINC000423517128 389598536 /nfs/dbraw/zinc/59/85/36/389598536.db2.gz YOSCXHGYCLAKMR-GFCCVEGCSA-N 2 2 257.378 0.342 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCCCC[NH3+] ZINC000423517128 389598540 /nfs/dbraw/zinc/59/85/40/389598540.db2.gz YOSCXHGYCLAKMR-GFCCVEGCSA-N 2 2 257.378 0.342 20 0 CCADLP C[C@@H](CC[NH3+])NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000423531599 389600353 /nfs/dbraw/zinc/60/03/53/389600353.db2.gz QOFYZFUCIKKIKT-WCQYABFASA-N 2 2 269.389 0.483 20 0 CCADLP C[C@@H](CC[NH3+])NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000423531599 389600354 /nfs/dbraw/zinc/60/03/54/389600354.db2.gz QOFYZFUCIKKIKT-WCQYABFASA-N 2 2 269.389 0.483 20 0 CCADLP C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@H]1C[NH2+]CCO1 ZINC000423550063 389600877 /nfs/dbraw/zinc/60/08/77/389600877.db2.gz FIZABHWWPHVSRX-XQLPTFJDSA-N 3 2 267.417 0.875 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000280654979 389602676 /nfs/dbraw/zinc/60/26/76/389602676.db2.gz AAJXIWLVMVDWJE-WCQYABFASA-N 2 2 281.404 0.479 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415976333 389708600 /nfs/dbraw/zinc/70/86/00/389708600.db2.gz NCBNAGGVPSWSAJ-GFCCVEGCSA-N 2 2 292.383 0.988 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415976333 389708603 /nfs/dbraw/zinc/70/86/03/389708603.db2.gz NCBNAGGVPSWSAJ-GFCCVEGCSA-N 2 2 292.383 0.988 20 0 CCADLP c1cc(N2CCCC2)ncc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415046160 389653122 /nfs/dbraw/zinc/65/31/22/389653122.db2.gz WYVCYLCKZFMOHW-NHAGDIPZSA-N 2 2 258.369 0.989 20 0 CCADLP COc1cc2c(cc1C[NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)OCO2 ZINC000415042224 389653200 /nfs/dbraw/zinc/65/32/00/389653200.db2.gz SFVVVIOZCHWOEG-MSRIBSCDSA-N 2 2 262.309 0.731 20 0 CCADLP COc1cc2c(c(C[N@H+](C)C[C@H](O)C[NH3+])c1)O[C@@H](C)C2 ZINC000415055446 389653730 /nfs/dbraw/zinc/65/37/30/389653730.db2.gz NAWAVXBBVMBXAZ-GXFFZTMASA-N 2 2 280.368 0.770 20 0 CCADLP COc1cc2c(c(C[N@@H+](C)C[C@H](O)C[NH3+])c1)O[C@@H](C)C2 ZINC000415055446 389653734 /nfs/dbraw/zinc/65/37/34/389653734.db2.gz NAWAVXBBVMBXAZ-GXFFZTMASA-N 2 2 280.368 0.770 20 0 CCADLP C[NH+](C)CCn1nnnc1SCCCn1cc[nH+]c1 ZINC000351669752 389654116 /nfs/dbraw/zinc/65/41/16/389654116.db2.gz AJDZCYJMTLETHB-UHFFFAOYSA-N 2 2 281.389 0.614 20 0 CCADLP CCOc1cccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)n1 ZINC000415096821 389658077 /nfs/dbraw/zinc/65/80/77/389658077.db2.gz QWLKIPXXRPFGQR-LBPRGKRZSA-N 2 2 251.330 0.558 20 0 CCADLP c1cc2c(c(C[NH2+]C[C@@H]3C[NH2+]CCO3)c1)OCO2 ZINC000415095948 389658305 /nfs/dbraw/zinc/65/83/05/389658305.db2.gz OUSPMWGWJZSEHB-NSHDSACASA-N 2 2 250.298 0.493 20 0 CCADLP COC(=O)COc1ccc(C[NH2+]C[C@H]2C[NH2+]CCO2)cc1 ZINC000415098634 389658894 /nfs/dbraw/zinc/65/88/94/389658894.db2.gz WILBWDWUKCUIPA-CQSZACIVSA-N 2 2 294.351 0.316 20 0 CCADLP COCCOc1ccc(C[NH2+]C[C@H]2C[NH2+]CCO2)cc1 ZINC000415099810 389659656 /nfs/dbraw/zinc/65/96/56/389659656.db2.gz ZOCVYSRGGIGWRX-OAHLLOKOSA-N 2 2 280.368 0.790 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCCN(CC(F)F)CC1)C1CC1 ZINC000351717068 389665895 /nfs/dbraw/zinc/66/58/95/389665895.db2.gz NSMJRKPJBXSFJT-ZDUSSCGKSA-N 2 2 291.386 0.714 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCCN(CC(F)F)CC1)C1CC1 ZINC000351717068 389665897 /nfs/dbraw/zinc/66/58/97/389665897.db2.gz NSMJRKPJBXSFJT-ZDUSSCGKSA-N 2 2 291.386 0.714 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCCN(CC(F)F)CC1)C1CC1 ZINC000351717068 389665899 /nfs/dbraw/zinc/66/58/99/389665899.db2.gz NSMJRKPJBXSFJT-ZDUSSCGKSA-N 2 2 291.386 0.714 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCCN(CC(F)F)CC1)C1CC1 ZINC000351717068 389665900 /nfs/dbraw/zinc/66/59/00/389665900.db2.gz NSMJRKPJBXSFJT-ZDUSSCGKSA-N 2 2 291.386 0.714 20 0 CCADLP CC[N@@H+]1CCCN(CC[NH+]2CCOC[C@H]2C)CC1 ZINC000375594501 389689902 /nfs/dbraw/zinc/68/99/02/389689902.db2.gz DDQDWUSQONDFHJ-CQSZACIVSA-N 2 2 255.406 0.735 20 0 CCADLP CC[N@H+]1CCCN(CC[NH+]2CCOC[C@H]2C)CC1 ZINC000375594501 389689906 /nfs/dbraw/zinc/68/99/06/389689906.db2.gz DDQDWUSQONDFHJ-CQSZACIVSA-N 2 2 255.406 0.735 20 0 CCADLP CC[NH+]1CCCN(CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000375594501 389689908 /nfs/dbraw/zinc/68/99/08/389689908.db2.gz DDQDWUSQONDFHJ-CQSZACIVSA-N 2 2 255.406 0.735 20 0 CCADLP CC[NH+]1CCCN(CC[N@H+]2CCOC[C@H]2C)CC1 ZINC000375594501 389689912 /nfs/dbraw/zinc/68/99/12/389689912.db2.gz DDQDWUSQONDFHJ-CQSZACIVSA-N 2 2 255.406 0.735 20 0 CCADLP Cc1nnc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)[nH]1 ZINC000428304018 389690295 /nfs/dbraw/zinc/69/02/95/389690295.db2.gz SLRUOUOAGLILJC-UHFFFAOYSA-N 2 2 280.420 0.571 20 0 CCADLP Cc1nnc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)[nH]1 ZINC000428304018 389690298 /nfs/dbraw/zinc/69/02/98/389690298.db2.gz SLRUOUOAGLILJC-UHFFFAOYSA-N 2 2 280.420 0.571 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N(C)CC(F)(F)F)C1 ZINC000351848615 389697796 /nfs/dbraw/zinc/69/77/96/389697796.db2.gz DMKAPPKVVQPZBS-IUCAKERBSA-N 2 2 267.295 0.676 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N(C)CC(F)(F)F)C1 ZINC000351848615 389697800 /nfs/dbraw/zinc/69/78/00/389697800.db2.gz DMKAPPKVVQPZBS-IUCAKERBSA-N 2 2 267.295 0.676 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000351863728 389702507 /nfs/dbraw/zinc/70/25/07/389702507.db2.gz UTVDYMSJHDZMQM-IHRRRGAJSA-N 3 2 282.432 0.208 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000351863728 389702508 /nfs/dbraw/zinc/70/25/08/389702508.db2.gz UTVDYMSJHDZMQM-IHRRRGAJSA-N 3 2 282.432 0.208 20 0 CCADLP Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)c(C)[nH+]1 ZINC000415873227 389706775 /nfs/dbraw/zinc/70/67/75/389706775.db2.gz UMGSRBFZLZIQGH-GFCCVEGCSA-N 2 2 290.367 0.895 20 0 CCADLP C[N@H+](CCNC(=O)N1CCn2c[nH+]cc2C1)C1CC1 ZINC000378118455 389756523 /nfs/dbraw/zinc/75/65/23/389756523.db2.gz ODNSEKVNEVHBIG-UHFFFAOYSA-N 2 2 263.345 0.503 20 0 CCADLP C[N@@H+](CCNC(=O)N1CCn2c[nH+]cc2C1)C1CC1 ZINC000378118455 389756527 /nfs/dbraw/zinc/75/65/27/389756527.db2.gz ODNSEKVNEVHBIG-UHFFFAOYSA-N 2 2 263.345 0.503 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC000352155343 389762187 /nfs/dbraw/zinc/76/21/87/389762187.db2.gz XLFQGSDDPKRBEX-HUUCEWRRSA-N 2 2 295.427 0.840 20 0 CCADLP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC000352155343 389762189 /nfs/dbraw/zinc/76/21/89/389762189.db2.gz XLFQGSDDPKRBEX-HUUCEWRRSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000352155343 389762191 /nfs/dbraw/zinc/76/21/91/389762191.db2.gz XLFQGSDDPKRBEX-HUUCEWRRSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000352155343 389762192 /nfs/dbraw/zinc/76/21/92/389762192.db2.gz XLFQGSDDPKRBEX-HUUCEWRRSA-N 2 2 295.427 0.840 20 0 CCADLP CC[NH+](CC)CCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000429976313 389777766 /nfs/dbraw/zinc/77/77/66/389777766.db2.gz RYKLINDUANBKIQ-GFCCVEGCSA-N 2 2 279.388 0.839 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N1CC[N@H+](C)C[C@H]1C ZINC000352255337 389779336 /nfs/dbraw/zinc/77/93/36/389779336.db2.gz FGIPIIHIQOJAAG-GFCCVEGCSA-N 2 2 277.434 0.294 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000352255337 389779339 /nfs/dbraw/zinc/77/93/39/389779339.db2.gz FGIPIIHIQOJAAG-GFCCVEGCSA-N 2 2 277.434 0.294 20 0 CCADLP CCNC(=O)[C@@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352256564 389779843 /nfs/dbraw/zinc/77/98/43/389779843.db2.gz JSZXMXIHOCCEAU-SECBINFHSA-N 2 2 270.402 0.819 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000416943993 389782867 /nfs/dbraw/zinc/78/28/67/389782867.db2.gz LKQWHCPEBQJYGO-NSHDSACASA-N 2 2 275.356 0.913 20 0 CCADLP C[C@H]([NH3+])[C@H](C)NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000417008442 389788891 /nfs/dbraw/zinc/78/88/91/389788891.db2.gz ISFPUKACSQBBIF-UWVGGRQHSA-N 2 2 265.361 0.683 20 0 CCADLP [NH3+][C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCC1 ZINC000399166631 389788950 /nfs/dbraw/zinc/78/89/50/389788950.db2.gz GXFWYTIMLAJTRL-CQSZACIVSA-N 2 2 274.368 0.858 20 0 CCADLP CCCC[C@@H](C[NH3+])NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000417040805 389791638 /nfs/dbraw/zinc/79/16/38/389791638.db2.gz VYQORFCDQLCFDS-OLZOCXBDSA-N 2 2 286.420 0.524 20 0 CCADLP CC[NH2+]CCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000417079680 389794479 /nfs/dbraw/zinc/79/44/79/389794479.db2.gz NNXTZJCUMILTEW-UHFFFAOYSA-N 2 2 291.399 0.959 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000351985827 389730464 /nfs/dbraw/zinc/73/04/64/389730464.db2.gz BNIMWPARLUUBOE-UPJWGTAASA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000351985827 389730467 /nfs/dbraw/zinc/73/04/67/389730467.db2.gz BNIMWPARLUUBOE-UPJWGTAASA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000376869048 389741218 /nfs/dbraw/zinc/74/12/18/389741218.db2.gz IXHFBFTZTOEUHQ-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000416430646 389741874 /nfs/dbraw/zinc/74/18/74/389741874.db2.gz DELZRMNLPUTWIY-MNOVXSKESA-N 2 2 253.350 0.554 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000416435839 389743038 /nfs/dbraw/zinc/74/30/38/389743038.db2.gz HAKVDGPATIELLV-IJLUTSLNSA-N 2 2 265.361 0.663 20 0 CCADLP [NH3+]C[C@@H](NC(=O)NCC[NH+]1CCOCC1)C1CCCC1 ZINC000416440063 389743769 /nfs/dbraw/zinc/74/37/69/389743769.db2.gz CJSBGWLUFSSQSO-CYBMUJFWSA-N 2 2 284.404 0.135 20 0 CCADLP O=C(NCCn1cc[nH+]c1)NCc1c[nH+]c2n1CCCC2 ZINC000377105376 389744683 /nfs/dbraw/zinc/74/46/83/389744683.db2.gz NDLGFKKYAFFQKO-UHFFFAOYSA-N 2 2 288.355 0.915 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)Nc2ccncc2)C1 ZINC000430554574 389807295 /nfs/dbraw/zinc/80/72/95/389807295.db2.gz WAUJMXFBCOSUAN-RYUDHWBXSA-N 2 2 262.357 0.501 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)Nc2ccncc2)C1 ZINC000430554574 389807297 /nfs/dbraw/zinc/80/72/97/389807297.db2.gz WAUJMXFBCOSUAN-RYUDHWBXSA-N 2 2 262.357 0.501 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)Nc1ccncc1 ZINC000430586102 389810096 /nfs/dbraw/zinc/81/00/96/389810096.db2.gz RZLCZPCUGSVTNZ-ZDUSSCGKSA-N 2 2 264.373 0.747 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)Nc1ccncc1 ZINC000430586102 389810097 /nfs/dbraw/zinc/81/00/97/389810097.db2.gz RZLCZPCUGSVTNZ-ZDUSSCGKSA-N 2 2 264.373 0.747 20 0 CCADLP CN(C)c1nc(N2CC[C@@H]3OCC[NH2+][C@H]3C2)cc[nH+]1 ZINC000404187659 389810202 /nfs/dbraw/zinc/81/02/02/389810202.db2.gz FIIOTWZINXLUAC-QWRGUYRKSA-N 2 2 263.345 0.110 20 0 CCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C[NH3+])C1 ZINC000430591866 389810875 /nfs/dbraw/zinc/81/08/75/389810875.db2.gz LCAGVOCOAXILSB-CYBMUJFWSA-N 2 2 298.431 0.030 20 0 CCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C[NH3+])C1 ZINC000430591866 389810879 /nfs/dbraw/zinc/81/08/79/389810879.db2.gz LCAGVOCOAXILSB-CYBMUJFWSA-N 2 2 298.431 0.030 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000417410338 389813524 /nfs/dbraw/zinc/81/35/24/389813524.db2.gz AWPVQCISUPJOGT-NSHDSACASA-N 2 2 272.393 0.134 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000417410338 389813527 /nfs/dbraw/zinc/81/35/27/389813527.db2.gz AWPVQCISUPJOGT-NSHDSACASA-N 2 2 272.393 0.134 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CCO1 ZINC000417427292 389814439 /nfs/dbraw/zinc/81/44/39/389814439.db2.gz PNUOXGGFZMFDPC-OLZOCXBDSA-N 2 2 298.431 0.524 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CCO1 ZINC000417427292 389814441 /nfs/dbraw/zinc/81/44/41/389814441.db2.gz PNUOXGGFZMFDPC-OLZOCXBDSA-N 2 2 298.431 0.524 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CCO1 ZINC000417427294 389815129 /nfs/dbraw/zinc/81/51/29/389815129.db2.gz PNUOXGGFZMFDPC-QWHCGFSZSA-N 2 2 298.431 0.524 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CCO1 ZINC000417427294 389815134 /nfs/dbraw/zinc/81/51/34/389815134.db2.gz PNUOXGGFZMFDPC-QWHCGFSZSA-N 2 2 298.431 0.524 20 0 CCADLP CNS(=O)(=O)CCC[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000430644804 389816030 /nfs/dbraw/zinc/81/60/30/389816030.db2.gz AKFNBNPKCIQNAA-GHMZBOCLSA-N 2 2 263.407 0.127 20 0 CCADLP CNS(=O)(=O)CCC[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000430644804 389816032 /nfs/dbraw/zinc/81/60/32/389816032.db2.gz AKFNBNPKCIQNAA-GHMZBOCLSA-N 2 2 263.407 0.127 20 0 CCADLP COC1(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)CC[NH2+]CC1 ZINC000430690341 389817864 /nfs/dbraw/zinc/81/78/64/389817864.db2.gz DAWVSOPDQSLZIX-GFCCVEGCSA-N 2 2 280.372 0.404 20 0 CCADLP C[C@@H]1CN(C(=O)NCC[N@@H+]2CCOCC2(C)C)[C@@H](C)C[NH2+]1 ZINC000417501482 389821466 /nfs/dbraw/zinc/82/14/66/389821466.db2.gz IVKMHPXDTCHJTJ-OLZOCXBDSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1CN(C(=O)NCC[N@H+]2CCOCC2(C)C)[C@@H](C)C[NH2+]1 ZINC000417501482 389821467 /nfs/dbraw/zinc/82/14/67/389821467.db2.gz IVKMHPXDTCHJTJ-OLZOCXBDSA-N 2 2 298.431 0.489 20 0 CCADLP O=C([C@H]1COCC[NH2+]1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000430764906 389823030 /nfs/dbraw/zinc/82/30/30/389823030.db2.gz HHFSUPHDAUOVFQ-GFCCVEGCSA-N 2 2 264.329 0.104 20 0 CCADLP O=C([C@H]1COCC[NH2+]1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000430764906 389823032 /nfs/dbraw/zinc/82/30/32/389823032.db2.gz HHFSUPHDAUOVFQ-GFCCVEGCSA-N 2 2 264.329 0.104 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000417510303 389823097 /nfs/dbraw/zinc/82/30/97/389823097.db2.gz SOXBFNKLTIUMDK-NSHDSACASA-N 2 2 272.393 0.134 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000417510303 389823100 /nfs/dbraw/zinc/82/31/00/389823100.db2.gz SOXBFNKLTIUMDK-NSHDSACASA-N 2 2 272.393 0.134 20 0 CCADLP C[C@H](NC(=O)N1CC[C@H]([NH3+])[C@@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000417521299 389826049 /nfs/dbraw/zinc/82/60/49/389826049.db2.gz PDLSKOWNCDVRLV-CYDGBPFRSA-N 2 2 284.404 0.227 20 0 CCADLP O=C(COC1C[NH2+]C1)NCCCCNc1cccc[nH+]1 ZINC000430873863 389830723 /nfs/dbraw/zinc/83/07/23/389830723.db2.gz AHAPSAUAKGUUOS-UHFFFAOYSA-N 2 2 278.356 0.378 20 0 CCADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCC(F)(F)C[NH3+] ZINC000417565085 389832147 /nfs/dbraw/zinc/83/21/47/389832147.db2.gz PERQWEPUAULETD-VIFPVBQESA-N 2 2 289.330 0.721 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC[C@H]1[NH3+] ZINC000430921031 389835333 /nfs/dbraw/zinc/83/53/33/389835333.db2.gz RDVNCRDSVMZKCF-APIJFGDWSA-N 2 2 295.427 0.826 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC[C@H]1[NH3+] ZINC000430921031 389835337 /nfs/dbraw/zinc/83/53/37/389835337.db2.gz RDVNCRDSVMZKCF-APIJFGDWSA-N 2 2 295.427 0.826 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](C[NH2+]C)C2)CC1 ZINC000430934841 389836443 /nfs/dbraw/zinc/83/64/43/389836443.db2.gz QULRQLHXKATTRO-UONOGXRCSA-N 3 2 282.432 0.080 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](C[NH2+]C)C2)CC1 ZINC000430934841 389836444 /nfs/dbraw/zinc/83/64/44/389836444.db2.gz QULRQLHXKATTRO-UONOGXRCSA-N 3 2 282.432 0.080 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)NC(=O)NCC(F)(F)F)CC[C@@H]1[NH3+] ZINC000430943700 389838609 /nfs/dbraw/zinc/83/86/09/389838609.db2.gz PVZCRTKYXMHLRU-YUMQZZPRSA-N 2 2 296.293 0.044 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)CC[C@@H]1[NH3+] ZINC000430943700 389838610 /nfs/dbraw/zinc/83/86/10/389838610.db2.gz PVZCRTKYXMHLRU-YUMQZZPRSA-N 2 2 296.293 0.044 20 0 CCADLP COc1ccc(CNC(=O)C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000430962823 389840762 /nfs/dbraw/zinc/84/07/62/389840762.db2.gz IBAOSLPGVXQYKN-WFASDCNBSA-N 2 2 291.395 0.981 20 0 CCADLP COc1ccc(CNC(=O)C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000430962823 389840765 /nfs/dbraw/zinc/84/07/65/389840765.db2.gz IBAOSLPGVXQYKN-WFASDCNBSA-N 2 2 291.395 0.981 20 0 CCADLP [NH3+]C[C@H]1CC[N@@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000430964807 389840815 /nfs/dbraw/zinc/84/08/15/389840815.db2.gz GKANWRNQZCFREQ-RKDXNWHRSA-N 2 2 265.279 0.430 20 0 CCADLP [NH3+]C[C@H]1CC[N@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000430964807 389840819 /nfs/dbraw/zinc/84/08/19/389840819.db2.gz GKANWRNQZCFREQ-RKDXNWHRSA-N 2 2 265.279 0.430 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H]2CCS(=O)(=O)[C@H]2C1 ZINC000353119477 389846363 /nfs/dbraw/zinc/84/63/63/389846363.db2.gz NWOJDEIXDFEFMY-UPJWGTAASA-N 2 2 272.414 0.590 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H]2CCS(=O)(=O)[C@H]2C1 ZINC000353119477 389846366 /nfs/dbraw/zinc/84/63/66/389846366.db2.gz NWOJDEIXDFEFMY-UPJWGTAASA-N 2 2 272.414 0.590 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@H]2CCS(=O)(=O)[C@H]2C1 ZINC000353119477 389846368 /nfs/dbraw/zinc/84/63/68/389846368.db2.gz NWOJDEIXDFEFMY-UPJWGTAASA-N 2 2 272.414 0.590 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@H]2CCS(=O)(=O)[C@H]2C1 ZINC000353119477 389846370 /nfs/dbraw/zinc/84/63/70/389846370.db2.gz NWOJDEIXDFEFMY-UPJWGTAASA-N 2 2 272.414 0.590 20 0 CCADLP CC(C)C[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000353579462 389853246 /nfs/dbraw/zinc/85/32/46/389853246.db2.gz PRTJLSACIWISNJ-NWDGAFQWSA-N 2 2 257.378 0.197 20 0 CCADLP CC(C)C[C@@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000353579462 389853247 /nfs/dbraw/zinc/85/32/47/389853247.db2.gz PRTJLSACIWISNJ-NWDGAFQWSA-N 2 2 257.378 0.197 20 0 CCADLP Cc1ncc(C[NH+]2CCN(C[C@H](C)[NH3+])CC2)s1 ZINC000442654420 389853756 /nfs/dbraw/zinc/85/37/56/389853756.db2.gz BKCOQJNLQKIYAA-JTQLQIEISA-N 2 2 254.403 0.916 20 0 CCADLP CO[C@H](C)c1noc(C[N@@H+]2CCCN(C[C@@H](C)[NH3+])CC2)n1 ZINC000442655687 389853762 /nfs/dbraw/zinc/85/37/62/389853762.db2.gz ZWRQRCOOPDZRIE-VXGBXAGGSA-N 2 2 297.403 0.632 20 0 CCADLP CO[C@H](C)c1noc(C[N@H+]2CCCN(C[C@@H](C)[NH3+])CC2)n1 ZINC000442655687 389853763 /nfs/dbraw/zinc/85/37/63/389853763.db2.gz ZWRQRCOOPDZRIE-VXGBXAGGSA-N 2 2 297.403 0.632 20 0 CCADLP C[C@H]([NH3+])CN1CC[NH+](CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000442660738 389854011 /nfs/dbraw/zinc/85/40/11/389854011.db2.gz MMLQCUQZKCOYIE-ZNMIVQPWSA-N 2 2 296.459 0.456 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000442667206 389854317 /nfs/dbraw/zinc/85/43/17/389854317.db2.gz YPNIEEYMGTUASJ-MNOVXSKESA-N 2 2 263.407 0.127 20 0 CCADLP C[C@@H]([NH3+])C[N@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000442667206 389854318 /nfs/dbraw/zinc/85/43/18/389854318.db2.gz YPNIEEYMGTUASJ-MNOVXSKESA-N 2 2 263.407 0.127 20 0 CCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)c1c[nH+]ccc1N(C)C ZINC000353776671 389855875 /nfs/dbraw/zinc/85/58/75/389855875.db2.gz WFNXAXVSUYZMOM-LLVKDONJSA-N 2 2 262.357 0.924 20 0 CCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)c1c[nH+]ccc1N(C)C ZINC000353776671 389855879 /nfs/dbraw/zinc/85/58/79/389855879.db2.gz WFNXAXVSUYZMOM-LLVKDONJSA-N 2 2 262.357 0.924 20 0 CCADLP C[C@@H](NC(=O)[C@@H]([NH3+])c1c(F)cccc1F)[C@H](C)[NH3+] ZINC000417850658 389856965 /nfs/dbraw/zinc/85/69/65/389856965.db2.gz MMNHOPRWXLUNFT-CVJICSNFSA-N 2 2 257.284 0.817 20 0 CCADLP CO[C@H](C)c1noc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)n1 ZINC000442760954 389861663 /nfs/dbraw/zinc/86/16/63/389861663.db2.gz WEENFJRGHRZQIX-AEJSXWLSSA-N 2 2 254.334 0.946 20 0 CCADLP CO[C@H](C)c1noc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)n1 ZINC000442760954 389861664 /nfs/dbraw/zinc/86/16/64/389861664.db2.gz WEENFJRGHRZQIX-AEJSXWLSSA-N 2 2 254.334 0.946 20 0 CCADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N(C)CC(F)(F)F ZINC000442781357 389862664 /nfs/dbraw/zinc/86/26/64/389862664.db2.gz PIYFVELNNCSAAM-IUCAKERBSA-N 2 2 267.295 0.676 20 0 CCADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N(C)CC(F)(F)F ZINC000442781357 389862665 /nfs/dbraw/zinc/86/26/65/389862665.db2.gz PIYFVELNNCSAAM-IUCAKERBSA-N 2 2 267.295 0.676 20 0 CCADLP Cc1cc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)on1 ZINC000442785433 389863269 /nfs/dbraw/zinc/86/32/69/389863269.db2.gz VTRACPFENDAUDC-VWYCJHECSA-N 2 2 266.345 0.979 20 0 CCADLP Cc1cc(NC(=O)[C@H](C)[N@H+]2C[C@H](C[NH3+])C[C@H]2C)on1 ZINC000442785433 389863271 /nfs/dbraw/zinc/86/32/71/389863271.db2.gz VTRACPFENDAUDC-VWYCJHECSA-N 2 2 266.345 0.979 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)c[nH+]1 ZINC000444182039 389895517 /nfs/dbraw/zinc/89/55/17/389895517.db2.gz KZYAZGAUMVWGCJ-IUODEOHRSA-N 2 2 274.368 0.763 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000433324885 389908603 /nfs/dbraw/zinc/90/86/03/389908603.db2.gz GFICKRZZMZXTAV-CQSZACIVSA-N 2 2 276.340 0.826 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000433324885 389908605 /nfs/dbraw/zinc/90/86/05/389908605.db2.gz GFICKRZZMZXTAV-CQSZACIVSA-N 2 2 276.340 0.826 20 0 CCADLP CC[C@@H]1CN(CC[NH2+]Cc2c[nH+]c(N(C)C)n2C)CCO1 ZINC000419734682 389910057 /nfs/dbraw/zinc/91/00/57/389910057.db2.gz VPCJQWXPKOYFOR-CQSZACIVSA-N 2 2 295.431 0.687 20 0 CCADLP C[N@H+](Cc1cc(=O)n2[nH]ccc2n1)[C@@H]1CCC[NH2+]CC1 ZINC000435617302 389959317 /nfs/dbraw/zinc/95/93/17/389959317.db2.gz OQHUGTQMSJYQHM-GFCCVEGCSA-N 2 2 275.356 0.597 20 0 CCADLP C[N@@H+](Cc1cc(=O)n2[nH]ccc2n1)[C@@H]1CCC[NH2+]CC1 ZINC000435617302 389959320 /nfs/dbraw/zinc/95/93/20/389959320.db2.gz OQHUGTQMSJYQHM-GFCCVEGCSA-N 2 2 275.356 0.597 20 0 CCADLP C[C@@H](Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)[C@H](C)[NH3+] ZINC000420261796 389975087 /nfs/dbraw/zinc/97/50/87/389975087.db2.gz LIIRNMCPOLIESS-QJPTWQEYSA-N 2 2 279.388 0.833 20 0 CCADLP CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)[NH+](C)C ZINC000447655688 389961268 /nfs/dbraw/zinc/96/12/68/389961268.db2.gz DYNGFCAZBKALSB-KBPBESRZSA-N 2 2 285.432 0.752 20 0 CCADLP C[NH2+]CCC[N@H+](C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000435880895 389965209 /nfs/dbraw/zinc/96/52/09/389965209.db2.gz RBFBARVJQDRLLF-RYUDHWBXSA-N 2 2 262.419 0.884 20 0 CCADLP C[NH2+]CCC[N@@H+](C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000435880895 389965211 /nfs/dbraw/zinc/96/52/11/389965211.db2.gz RBFBARVJQDRLLF-RYUDHWBXSA-N 2 2 262.419 0.884 20 0 CCADLP C[NH2+]C[C@H](C)CNc1[nH+]cnc(-n2cccn2)c1N ZINC000420211533 389966188 /nfs/dbraw/zinc/96/61/88/389966188.db2.gz SRCKEPVLVUDYTD-VIFPVBQESA-N 2 2 261.333 0.512 20 0 CCADLP CC(C)c1nc(N2CC[NH2+]C[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000420219594 389967187 /nfs/dbraw/zinc/96/71/87/389967187.db2.gz RAWGWYQZMGTXAA-JTQLQIEISA-N 2 2 264.377 0.859 20 0 CCADLP [NH3+]CCCCNc1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000420245398 389972206 /nfs/dbraw/zinc/97/22/06/389972206.db2.gz ZRCPKRVQCOBZOH-NSHDSACASA-N 2 2 265.361 0.589 20 0 CCADLP [NH3+]CCCCNc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000420245398 389972209 /nfs/dbraw/zinc/97/22/09/389972209.db2.gz ZRCPKRVQCOBZOH-NSHDSACASA-N 2 2 265.361 0.589 20 0 CCADLP C[C@@H](C[NH3+])Nc1cc(N2CCSCC2)[nH+]cn1 ZINC000420249283 389973005 /nfs/dbraw/zinc/97/30/05/389973005.db2.gz RHTDIHNLEZCKAJ-VIFPVBQESA-N 2 2 253.375 0.789 20 0 CCADLP COc1ccc2[nH+]c(C)nc(NC[C@H]3C[NH2+]C[C@@H]3O)c2c1 ZINC000420248574 389973086 /nfs/dbraw/zinc/97/30/86/389973086.db2.gz WRNCCUJBUKBRFA-YGRLFVJLSA-N 2 2 288.351 0.361 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000434266032 389928192 /nfs/dbraw/zinc/92/81/92/389928192.db2.gz JGPVFUPEZIYYHV-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000434266032 389928193 /nfs/dbraw/zinc/92/81/93/389928193.db2.gz JGPVFUPEZIYYHV-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](O)C(C)(C)C2)CC1 ZINC000446066253 389929466 /nfs/dbraw/zinc/92/94/66/389929466.db2.gz JWKHRGQJYIPBAB-KBPBESRZSA-N 2 2 297.443 0.632 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](O)C(C)(C)C2)CC1 ZINC000446066253 389929468 /nfs/dbraw/zinc/92/94/68/389929468.db2.gz JWKHRGQJYIPBAB-KBPBESRZSA-N 2 2 297.443 0.632 20 0 CCADLP [NH3+][C@@H]1CCCN(c2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000420251374 389973501 /nfs/dbraw/zinc/97/35/01/389973501.db2.gz WMQQFURKMVCJOV-LLVKDONJSA-N 2 2 279.413 0.957 20 0 CCADLP C[C@@H]([NH3+])CCC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000434678191 389941028 /nfs/dbraw/zinc/94/10/28/389941028.db2.gz CWYQZAOMDDRVEJ-GFCCVEGCSA-N 2 2 279.388 0.192 20 0 CCADLP CCOC1CC(O)(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1 ZINC000446840092 389942059 /nfs/dbraw/zinc/94/20/59/389942059.db2.gz XEQGRKXJDZPNTJ-HRNJWANLSA-N 2 2 268.401 0.989 20 0 CCADLP CCOC1CC(O)(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)C1 ZINC000446840092 389942060 /nfs/dbraw/zinc/94/20/60/389942060.db2.gz XEQGRKXJDZPNTJ-HRNJWANLSA-N 2 2 268.401 0.989 20 0 CCADLP O[C@H]1C[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H]1O ZINC000420924452 390038352 /nfs/dbraw/zinc/03/83/52/390038352.db2.gz STHJNJJXJLQJQE-HOTGVXAUSA-N 2 2 292.379 0.056 20 0 CCADLP CCCCCNC(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000420309135 389981314 /nfs/dbraw/zinc/98/13/14/389981314.db2.gz OHZMMVKFEIVSLH-CQSZACIVSA-N 2 2 253.390 0.978 20 0 CCADLP CCCCCNC(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000420309135 389981317 /nfs/dbraw/zinc/98/13/17/389981317.db2.gz OHZMMVKFEIVSLH-CQSZACIVSA-N 2 2 253.390 0.978 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000420344745 389986766 /nfs/dbraw/zinc/98/67/66/389986766.db2.gz UPHSXPHXCCYKQK-NXOAAHMSSA-N 3 2 289.423 0.601 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000420344745 389986768 /nfs/dbraw/zinc/98/67/68/389986768.db2.gz UPHSXPHXCCYKQK-NXOAAHMSSA-N 3 2 289.423 0.601 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000420344748 389986804 /nfs/dbraw/zinc/98/68/04/389986804.db2.gz UPHSXPHXCCYKQK-TWMKSMIVSA-N 3 2 289.423 0.601 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000420344748 389986805 /nfs/dbraw/zinc/98/68/05/389986805.db2.gz UPHSXPHXCCYKQK-TWMKSMIVSA-N 3 2 289.423 0.601 20 0 CCADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCC(=O)NC(=O)NCC(F)(F)F ZINC000420350219 389988260 /nfs/dbraw/zinc/98/82/60/389988260.db2.gz GBJKHVJWPPZWFR-YUMQZZPRSA-N 2 2 296.293 0.186 20 0 CCADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCC(=O)NC(=O)NCC(F)(F)F ZINC000420350219 389988261 /nfs/dbraw/zinc/98/82/61/389988261.db2.gz GBJKHVJWPPZWFR-YUMQZZPRSA-N 2 2 296.293 0.186 20 0 CCADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C[NH3+])c(F)c1 ZINC000420355486 389990083 /nfs/dbraw/zinc/99/00/83/389990083.db2.gz PRDGLBLGDDNOTK-GHMZBOCLSA-N 2 2 283.347 0.713 20 0 CCADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C[NH3+])c(F)c1 ZINC000420355486 389990084 /nfs/dbraw/zinc/99/00/84/389990084.db2.gz PRDGLBLGDDNOTK-GHMZBOCLSA-N 2 2 283.347 0.713 20 0 CCADLP C[C@H](CNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)C[NH3+])c1ccccc1 ZINC000420358896 389991281 /nfs/dbraw/zinc/99/12/81/389991281.db2.gz VCVCIDPVUWCPFE-IPYPFGDCSA-N 2 2 293.411 0.546 20 0 CCADLP C[C@H](CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])c1ccccc1 ZINC000420358896 389991283 /nfs/dbraw/zinc/99/12/83/389991283.db2.gz VCVCIDPVUWCPFE-IPYPFGDCSA-N 2 2 293.411 0.546 20 0 CCADLP C[N@@H+](CC(=O)NCC1(c2ccccc2)CC1)C[C@@H](O)C[NH3+] ZINC000420360554 389991387 /nfs/dbraw/zinc/99/13/87/389991387.db2.gz XCGYZDJLTJXQHL-AWEZNQCLSA-N 2 2 291.395 0.086 20 0 CCADLP C[N@H+](CC(=O)NCC1(c2ccccc2)CC1)C[C@@H](O)C[NH3+] ZINC000420360554 389991388 /nfs/dbraw/zinc/99/13/88/389991388.db2.gz XCGYZDJLTJXQHL-AWEZNQCLSA-N 2 2 291.395 0.086 20 0 CCADLP C[C@H](NC(=O)C[N@H+](C)C[C@H](O)C[NH3+])c1ccc(Cl)cc1 ZINC000420361472 389991855 /nfs/dbraw/zinc/99/18/55/389991855.db2.gz XXOBIJPSBJKYNI-GXFFZTMASA-N 2 2 299.802 0.769 20 0 CCADLP C[C@H](NC(=O)C[N@@H+](C)C[C@H](O)C[NH3+])c1ccc(Cl)cc1 ZINC000420361472 389991856 /nfs/dbraw/zinc/99/18/56/389991856.db2.gz XXOBIJPSBJKYNI-GXFFZTMASA-N 2 2 299.802 0.769 20 0 CCADLP CCN1C[C@H]([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1=O ZINC000449515646 389994236 /nfs/dbraw/zinc/99/42/36/389994236.db2.gz ANBGHXFDKOZKBK-NQBHXWOUSA-N 2 2 251.374 0.680 20 0 CCADLP CCN1C[C@H]([NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1=O ZINC000449515646 389994238 /nfs/dbraw/zinc/99/42/38/389994238.db2.gz ANBGHXFDKOZKBK-NQBHXWOUSA-N 2 2 251.374 0.680 20 0 CCADLP COCCCNC(=O)[C@H](C)[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420381726 389994977 /nfs/dbraw/zinc/99/49/77/389994977.db2.gz ZIJIITVUEYJYAQ-ZDEQEGDKSA-N 2 2 271.405 0.504 20 0 CCADLP CC(C)CNC(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420390637 389996149 /nfs/dbraw/zinc/99/61/49/389996149.db2.gz YOMOABRFIZKLRH-CQSZACIVSA-N 2 2 253.390 0.834 20 0 CCADLP CC(C)CNC(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420390637 389996151 /nfs/dbraw/zinc/99/61/51/389996151.db2.gz YOMOABRFIZKLRH-CQSZACIVSA-N 2 2 253.390 0.834 20 0 CCADLP C[C@H]1CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C[C@H]1C[NH3+] ZINC000420409741 389997885 /nfs/dbraw/zinc/99/78/85/389997885.db2.gz QRGMUBHLJGWXOA-ORQFMDKSSA-N 3 2 291.439 0.834 20 0 CCADLP C[C@H]1CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C[C@H]1C[NH3+] ZINC000420409741 389997886 /nfs/dbraw/zinc/99/78/86/389997886.db2.gz QRGMUBHLJGWXOA-ORQFMDKSSA-N 3 2 291.439 0.834 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+](C2CC2)C1 ZINC000452178223 390006643 /nfs/dbraw/zinc/00/66/43/390006643.db2.gz YNRIRUROAFDPPE-GXTWGEPZSA-N 2 2 281.400 0.260 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+](C2CC2)C1 ZINC000452178223 390006646 /nfs/dbraw/zinc/00/66/46/390006646.db2.gz YNRIRUROAFDPPE-GXTWGEPZSA-N 2 2 281.400 0.260 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+](C2CC2)C1 ZINC000452178223 390006647 /nfs/dbraw/zinc/00/66/47/390006647.db2.gz YNRIRUROAFDPPE-GXTWGEPZSA-N 2 2 281.400 0.260 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+](C2CC2)C1 ZINC000452178223 390006650 /nfs/dbraw/zinc/00/66/50/390006650.db2.gz YNRIRUROAFDPPE-GXTWGEPZSA-N 2 2 281.400 0.260 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+](C)C ZINC000456200301 390013565 /nfs/dbraw/zinc/01/35/65/390013565.db2.gz IGXHZPUUPYTRMJ-HZSPNIEDSA-N 2 2 283.416 0.552 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+](C)C ZINC000456200301 390013566 /nfs/dbraw/zinc/01/35/66/390013566.db2.gz IGXHZPUUPYTRMJ-HZSPNIEDSA-N 2 2 283.416 0.552 20 0 CCADLP C[NH+](C)C/C=C\C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000492227897 390117972 /nfs/dbraw/zinc/11/79/72/390117972.db2.gz WTBPIRVRUQGMKQ-VGVVRCBHSA-N 2 2 274.368 0.894 20 0 CCADLP Cc1cc(C)c(CNC(=O)NC[C@]2(O)CC[N@@H+](C)C2)c[nH+]1 ZINC000459081387 390069268 /nfs/dbraw/zinc/06/92/68/390069268.db2.gz QROWISZHCCVVRA-OAHLLOKOSA-N 2 2 292.383 0.564 20 0 CCADLP Cc1cc(C)c(CNC(=O)NC[C@]2(O)CC[N@H+](C)C2)c[nH+]1 ZINC000459081387 390069269 /nfs/dbraw/zinc/06/92/69/390069269.db2.gz QROWISZHCCVVRA-OAHLLOKOSA-N 2 2 292.383 0.564 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC000468107530 390077029 /nfs/dbraw/zinc/07/70/29/390077029.db2.gz GHKJRMMABGCXLU-KKUMJFAQSA-N 2 2 296.459 0.469 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC000468107530 390077030 /nfs/dbraw/zinc/07/70/30/390077030.db2.gz GHKJRMMABGCXLU-KKUMJFAQSA-N 2 2 296.459 0.469 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000492916036 390118568 /nfs/dbraw/zinc/11/85/68/390118568.db2.gz ZNWSINKRWGXZLU-WGPFEIJOSA-N 2 2 278.356 0.336 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000492916036 390118569 /nfs/dbraw/zinc/11/85/69/390118569.db2.gz ZNWSINKRWGXZLU-WGPFEIJOSA-N 2 2 278.356 0.336 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000486925267 390082885 /nfs/dbraw/zinc/08/28/85/390082885.db2.gz LYPBKCAMNDUUDM-HZSPNIEDSA-N 2 2 288.395 0.974 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000486925267 390082886 /nfs/dbraw/zinc/08/28/86/390082886.db2.gz LYPBKCAMNDUUDM-HZSPNIEDSA-N 2 2 288.395 0.974 20 0 CCADLP O=C(/C=C\c1[nH]cc[nH+]1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000493146442 390119692 /nfs/dbraw/zinc/11/96/92/390119692.db2.gz GYYFPVGNUHYSOO-UPHRSURJSA-N 2 2 272.312 0.495 20 0 CCADLP Cc1nc(NC[C@@]2([NH+](C)C)CCSC2)nc(N(C)C)[nH+]1 ZINC000490131833 390104802 /nfs/dbraw/zinc/10/48/02/390104802.db2.gz CQWLMQWGPUVIMI-ZDUSSCGKSA-N 2 2 296.444 0.517 20 0 CCADLP C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)CCn1cc[nH+]c1 ZINC000647832650 390185082 /nfs/dbraw/zinc/18/50/82/390185082.db2.gz CGIODFFTZUKLCO-RYUDHWBXSA-N 2 2 250.346 0.824 20 0 CCADLP O=C(/C=C/c1[nH]cc[nH+]1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000493268197 390122074 /nfs/dbraw/zinc/12/20/74/390122074.db2.gz OWYUSCVWJUGDRZ-ITKZLYELSA-N 2 2 278.356 0.386 20 0 CCADLP O=C(/C=C/c1[nH]cc[nH+]1)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000493268197 390122075 /nfs/dbraw/zinc/12/20/75/390122075.db2.gz OWYUSCVWJUGDRZ-ITKZLYELSA-N 2 2 278.356 0.386 20 0 CCADLP CC[NH+]1CCN([C@@H](C)CNC(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493392394 390124646 /nfs/dbraw/zinc/12/46/46/390124646.db2.gz SFKKDTMEKORBDB-IHVVCDCBSA-N 2 2 291.399 0.565 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000493616631 390127473 /nfs/dbraw/zinc/12/74/73/390127473.db2.gz TWKMEHXTCASDMI-WGPFEIJOSA-N 2 2 278.356 0.336 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000493616631 390127474 /nfs/dbraw/zinc/12/74/74/390127474.db2.gz TWKMEHXTCASDMI-WGPFEIJOSA-N 2 2 278.356 0.336 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](c3ccncc3)C2)CC1 ZINC000579021846 390136066 /nfs/dbraw/zinc/13/60/66/390136066.db2.gz IMQAHJRRIMMDTE-OAHLLOKOSA-N 2 2 288.395 0.645 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](c3ccncc3)C2)CC1 ZINC000579021846 390136070 /nfs/dbraw/zinc/13/60/70/390136070.db2.gz IMQAHJRRIMMDTE-OAHLLOKOSA-N 2 2 288.395 0.645 20 0 CCADLP CC[N@H+](C)C[C@H](O)CN1CC[NH+](Cc2ccccn2)CC1 ZINC000579138573 390146493 /nfs/dbraw/zinc/14/64/93/390146493.db2.gz VGPRDRIMBZAQAE-INIZCTEOSA-N 2 2 292.427 0.512 20 0 CCADLP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](Cc2ccccn2)CC1 ZINC000579138573 390146496 /nfs/dbraw/zinc/14/64/96/390146496.db2.gz VGPRDRIMBZAQAE-INIZCTEOSA-N 2 2 292.427 0.512 20 0 CCADLP O=C(C[C@H]1COCC[NH2+]1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000644150279 390148141 /nfs/dbraw/zinc/14/81/41/390148141.db2.gz BGROSIZVBKOQNM-OLZOCXBDSA-N 2 2 290.367 0.155 20 0 CCADLP Cc1cc(C)n2c(C[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)cnc2n1 ZINC000579329318 390162062 /nfs/dbraw/zinc/16/20/62/390162062.db2.gz ZDRJKMIBZGVWTN-ITGUQSILSA-N 2 2 257.341 0.654 20 0 CCADLP CCCCOCCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000579332257 390162196 /nfs/dbraw/zinc/16/21/96/390162196.db2.gz VWOGRSSEBBGJFA-GFCCVEGCSA-N 2 2 272.393 0.087 20 0 CCADLP CCCCOCCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000579332257 390162198 /nfs/dbraw/zinc/16/21/98/390162198.db2.gz VWOGRSSEBBGJFA-GFCCVEGCSA-N 2 2 272.393 0.087 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[NH+](CCOC(C)C)CC1 ZINC000579376073 390168828 /nfs/dbraw/zinc/16/88/28/390168828.db2.gz FOCLMGZGWNAXHX-UHFFFAOYSA-N 2 2 295.387 0.614 20 0 CCADLP C[C@H](C(=O)N(C)CCC[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000537215011 390175722 /nfs/dbraw/zinc/17/57/22/390175722.db2.gz KFHKOHVTOKEAJK-CYBMUJFWSA-N 2 2 270.421 0.032 20 0 CCADLP CCC[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCS(=O)(=O)C1 ZINC000647872204 390201523 /nfs/dbraw/zinc/20/15/23/390201523.db2.gz GNRCTBJNXZVJTL-VXGBXAGGSA-N 2 2 260.403 0.495 20 0 CCADLP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCS(=O)(=O)C1 ZINC000647872204 390201526 /nfs/dbraw/zinc/20/15/26/390201526.db2.gz GNRCTBJNXZVJTL-VXGBXAGGSA-N 2 2 260.403 0.495 20 0 CCADLP CC1([NH3+])CC[NH+](CCn2nc3ccccn3c2=O)CC1 ZINC000647925709 390219213 /nfs/dbraw/zinc/21/92/13/390219213.db2.gz UGWWEQKLKNCXRP-UHFFFAOYSA-N 2 2 275.356 0.309 20 0 CCADLP CCOCCCNC(=O)[C@@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC000647925819 390219357 /nfs/dbraw/zinc/21/93/57/390219357.db2.gz YTUISGGHZYYTPE-GFCCVEGCSA-N 2 2 271.405 0.731 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000647931258 390220141 /nfs/dbraw/zinc/22/01/41/390220141.db2.gz UUROFMHKXRVJJA-UKRRQHHQSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000647931258 390220144 /nfs/dbraw/zinc/22/01/44/390220144.db2.gz UUROFMHKXRVJJA-UKRRQHHQSA-N 2 2 295.427 0.840 20 0 CCADLP [NH3+]Cc1nnnn1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000580190264 390227000 /nfs/dbraw/zinc/22/70/00/390227000.db2.gz JLLUARMAKPGFLL-UHFFFAOYSA-N 2 2 288.355 0.012 20 0 CCADLP COCc1ccc(CNC(=O)C[N@H+](C)CCC[NH3+])cc1 ZINC000647848146 390191611 /nfs/dbraw/zinc/19/16/11/390191611.db2.gz HITXDBQFYITOHO-UHFFFAOYSA-N 2 2 279.384 0.730 20 0 CCADLP COCc1ccc(CNC(=O)C[N@@H+](C)CCC[NH3+])cc1 ZINC000647848146 390191613 /nfs/dbraw/zinc/19/16/13/390191613.db2.gz HITXDBQFYITOHO-UHFFFAOYSA-N 2 2 279.384 0.730 20 0 CCADLP CC1CC[NH+](CCCNc2nc[nH+]c3c2OCCN3)CC1 ZINC000647850400 390192745 /nfs/dbraw/zinc/19/27/45/390192745.db2.gz JNTPFIXJJUFBTM-UHFFFAOYSA-N 2 2 291.399 0.927 20 0 CCADLP CC1CC[NH+](CCCNc2[nH+]cnc3c2OCCN3)CC1 ZINC000647850400 390192747 /nfs/dbraw/zinc/19/27/47/390192747.db2.gz JNTPFIXJJUFBTM-UHFFFAOYSA-N 2 2 291.399 0.927 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)NCC[NH+]1CCOCC1 ZINC000579680427 390196959 /nfs/dbraw/zinc/19/69/59/390196959.db2.gz DXUNUXALRZXWPM-ZDUSSCGKSA-N 2 2 284.404 0.054 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCC[NH+]1CCOCC1 ZINC000579680427 390196960 /nfs/dbraw/zinc/19/69/60/390196960.db2.gz DXUNUXALRZXWPM-ZDUSSCGKSA-N 2 2 284.404 0.054 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@]1(CO)COCC2(CCC2)N1C ZINC000527756392 285364714 /nfs/dbraw/zinc/36/47/14/285364714.db2.gz ZJPMVUQSQZIUJE-YCPHGPKFSA-N 2 2 297.443 0.142 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@]1(CO)COCC2(CCC2)N1C ZINC000527756392 285364716 /nfs/dbraw/zinc/36/47/16/285364716.db2.gz ZJPMVUQSQZIUJE-YCPHGPKFSA-N 2 2 297.443 0.142 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1cc2c([nH]c1=O)CCC2)C1CC1 ZINC000644564123 390253943 /nfs/dbraw/zinc/25/39/43/390253943.db2.gz XLQFFLZTQIPYKM-AWEZNQCLSA-N 2 2 291.395 0.821 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1cc2c([nH]c1=O)CCC2)C1CC1 ZINC000644564123 390253945 /nfs/dbraw/zinc/25/39/45/390253945.db2.gz XLQFFLZTQIPYKM-AWEZNQCLSA-N 2 2 291.395 0.821 20 0 CCADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000644569512 390255116 /nfs/dbraw/zinc/25/51/16/390255116.db2.gz UDNBZTDKKNKOIA-HZPDHXFCSA-N 3 2 298.475 0.059 20 0 CCADLP CC[C@H](CN1CCCC1)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000644569512 390255121 /nfs/dbraw/zinc/25/51/21/390255121.db2.gz UDNBZTDKKNKOIA-HZPDHXFCSA-N 2 2 298.475 0.059 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[C@H](C[NH+](C)C)C1 ZINC000582072869 390259430 /nfs/dbraw/zinc/25/94/30/390259430.db2.gz LWKSCBZXPLHTAK-SECBINFHSA-N 2 2 251.334 0.455 20 0 CCADLP COc1c(N)nc[nH+]c1N1CC[C@H](C[NH+](C)C)C1 ZINC000582072869 390259432 /nfs/dbraw/zinc/25/94/32/390259432.db2.gz LWKSCBZXPLHTAK-SECBINFHSA-N 2 2 251.334 0.455 20 0 CCADLP Cc1cnccc1CCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000583311753 390282217 /nfs/dbraw/zinc/28/22/17/390282217.db2.gz MDHPADOWKJHPAF-CQSZACIVSA-N 2 2 291.399 0.217 20 0 CCADLP Cc1cnccc1CCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000583311753 390282218 /nfs/dbraw/zinc/28/22/18/390282218.db2.gz MDHPADOWKJHPAF-CQSZACIVSA-N 2 2 291.399 0.217 20 0 CCADLP COC(=O)N1CCC([NH2+]C[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC000496012902 390283717 /nfs/dbraw/zinc/28/37/17/390283717.db2.gz HJOOJJKZHWJHEZ-CQSZACIVSA-N 2 2 299.415 0.654 20 0 CCADLP COC(=O)N1CCC([NH2+]C[C@H]2CCCC[N@H+]2CCO)CC1 ZINC000496012902 390283718 /nfs/dbraw/zinc/28/37/18/390283718.db2.gz HJOOJJKZHWJHEZ-CQSZACIVSA-N 2 2 299.415 0.654 20 0 CCADLP CCSCC[C@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593910581 390367373 /nfs/dbraw/zinc/36/73/73/390367373.db2.gz XYIDSJJBSLGTFY-QWRGUYRKSA-N 2 2 261.435 0.913 20 0 CCADLP C[C@H](C(=O)N1CCC[C@@H](CC[NH3+])C1)[NH+]1CCN(C)CC1 ZINC000648130075 390299752 /nfs/dbraw/zinc/29/97/52/390299752.db2.gz HHUWYRAJXZLQBF-KGLIPLIRSA-N 2 2 282.432 0.210 20 0 CCADLP CN1C[C@@H](C[N@H+](C)CCCn2cc[nH+]c2)OC1=O ZINC000496136991 390307177 /nfs/dbraw/zinc/30/71/77/390307177.db2.gz LATRTSUQYLPXQO-LLVKDONJSA-N 2 2 252.318 0.656 20 0 CCADLP CN1C[C@@H](C[N@@H+](C)CCCn2cc[nH+]c2)OC1=O ZINC000496136991 390307181 /nfs/dbraw/zinc/30/71/81/390307181.db2.gz LATRTSUQYLPXQO-LLVKDONJSA-N 2 2 252.318 0.656 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H](N2CCCC2=O)C1)C1CC1 ZINC000583781127 390311313 /nfs/dbraw/zinc/31/13/13/390311313.db2.gz RJYNZPYYVLNEPQ-HUUCEWRRSA-N 2 2 295.427 0.528 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H](N2CCCC2=O)C1)C1CC1 ZINC000583781127 390311316 /nfs/dbraw/zinc/31/13/16/390311316.db2.gz RJYNZPYYVLNEPQ-HUUCEWRRSA-N 2 2 295.427 0.528 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H](N2CCCC2=O)C1)C1CC1 ZINC000583781127 390311318 /nfs/dbraw/zinc/31/13/18/390311318.db2.gz RJYNZPYYVLNEPQ-HUUCEWRRSA-N 2 2 295.427 0.528 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H](N2CCCC2=O)C1)C1CC1 ZINC000583781127 390311320 /nfs/dbraw/zinc/31/13/20/390311320.db2.gz RJYNZPYYVLNEPQ-HUUCEWRRSA-N 2 2 295.427 0.528 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)CCC(C)(C)[NH3+] ZINC000648151991 390314505 /nfs/dbraw/zinc/31/45/05/390314505.db2.gz FYELTJVIKFQGCU-UHFFFAOYSA-N 2 2 257.378 0.295 20 0 CCADLP C[C@H](C(=O)N1CC[NH+](CC(C)(C)O)CC1)[NH+]1CC(C)C1 ZINC000583821627 390315916 /nfs/dbraw/zinc/31/59/16/390315916.db2.gz PIMGJZUUVNLWNT-CYBMUJFWSA-N 2 2 283.416 0.242 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H]2CN(C)C(=O)O2)CC1 ZINC000496242290 390325031 /nfs/dbraw/zinc/32/50/31/390325031.db2.gz DIORCQUKRBEWTE-LBPRGKRZSA-N 2 2 285.388 0.262 20 0 CCADLP CC[N@@H+]1CCC[C@@H](CNc2nc(C)[nH+]c(N(C)C)n2)C1 ZINC000545885557 390334446 /nfs/dbraw/zinc/33/44/46/390334446.db2.gz IZMGRKLVPZBKRS-LBPRGKRZSA-N 2 2 278.404 0.812 20 0 CCADLP CC[N@H+]1CCC[C@@H](CNc2nc(C)[nH+]c(N(C)C)n2)C1 ZINC000545885557 390334449 /nfs/dbraw/zinc/33/44/49/390334449.db2.gz IZMGRKLVPZBKRS-LBPRGKRZSA-N 2 2 278.404 0.812 20 0 CCADLP CC[N@@H+]1CCC[C@@H](CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC000545885557 390334452 /nfs/dbraw/zinc/33/44/52/390334452.db2.gz IZMGRKLVPZBKRS-LBPRGKRZSA-N 2 2 278.404 0.812 20 0 CCADLP CC[N@H+]1CCC[C@@H](CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC000545885557 390334456 /nfs/dbraw/zinc/33/44/56/390334456.db2.gz IZMGRKLVPZBKRS-LBPRGKRZSA-N 2 2 278.404 0.812 20 0 CCADLP C[C@@H](CF)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000644895512 390340408 /nfs/dbraw/zinc/34/04/08/390340408.db2.gz ATAVXFVSSVCEQQ-RYUDHWBXSA-N 2 2 286.395 0.812 20 0 CCADLP C[C@@H](CF)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000644895512 390340410 /nfs/dbraw/zinc/34/04/10/390340410.db2.gz ATAVXFVSSVCEQQ-RYUDHWBXSA-N 2 2 286.395 0.812 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[NH+]1CCC2(COC(=O)N2)CC1 ZINC000496350053 390345016 /nfs/dbraw/zinc/34/50/16/390345016.db2.gz VQMMAHYKMMTVNF-LLVKDONJSA-N 2 2 255.362 0.934 20 0 CCADLP CO[C@@H](C)C[N@H+](C)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496559454 390354823 /nfs/dbraw/zinc/35/48/23/390354823.db2.gz QINOAYAPMCNIKF-SWLSCSKDSA-N 2 2 297.399 0.827 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496559454 390354827 /nfs/dbraw/zinc/35/48/27/390354827.db2.gz QINOAYAPMCNIKF-SWLSCSKDSA-N 2 2 297.399 0.827 20 0 CCADLP CN(C)C(=O)O[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000497156708 390428211 /nfs/dbraw/zinc/42/82/11/390428211.db2.gz ZTARYKHYQPXLPX-KBPBESRZSA-N 2 2 299.415 0.604 20 0 CCADLP CN(C)C(=O)O[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000497156708 390428215 /nfs/dbraw/zinc/42/82/15/390428215.db2.gz ZTARYKHYQPXLPX-KBPBESRZSA-N 2 2 299.415 0.604 20 0 CCADLP CN(C)C(=O)O[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000497156708 390428218 /nfs/dbraw/zinc/42/82/18/390428218.db2.gz ZTARYKHYQPXLPX-KBPBESRZSA-N 2 2 299.415 0.604 20 0 CCADLP CN(C)C(=O)O[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000497156708 390428224 /nfs/dbraw/zinc/42/82/24/390428224.db2.gz ZTARYKHYQPXLPX-KBPBESRZSA-N 2 2 299.415 0.604 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000554594252 390435568 /nfs/dbraw/zinc/43/55/68/390435568.db2.gz ZLLQWPIYWUDFCM-CYBMUJFWSA-N 2 2 294.399 0.316 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000554594252 390435572 /nfs/dbraw/zinc/43/55/72/390435572.db2.gz ZLLQWPIYWUDFCM-CYBMUJFWSA-N 2 2 294.399 0.316 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000554594253 390435920 /nfs/dbraw/zinc/43/59/20/390435920.db2.gz ZLLQWPIYWUDFCM-ZDUSSCGKSA-N 2 2 294.399 0.316 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000554594253 390435924 /nfs/dbraw/zinc/43/59/24/390435924.db2.gz ZLLQWPIYWUDFCM-ZDUSSCGKSA-N 2 2 294.399 0.316 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000496958033 390392924 /nfs/dbraw/zinc/39/29/24/390392924.db2.gz CCRWJOJJOONIIT-UTUOFQBUSA-N 2 2 255.362 0.790 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000496958033 390392929 /nfs/dbraw/zinc/39/29/29/390392929.db2.gz CCRWJOJJOONIIT-UTUOFQBUSA-N 2 2 255.362 0.790 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])CCO1 ZINC000565364716 390507309 /nfs/dbraw/zinc/50/73/09/390507309.db2.gz VLMNEUVIERDUMD-MCIONIFRSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])CCO1 ZINC000565364716 390507310 /nfs/dbraw/zinc/50/73/10/390507310.db2.gz VLMNEUVIERDUMD-MCIONIFRSA-N 2 2 283.416 0.731 20 0 CCADLP OC[C@H](C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)Cc1ccco1 ZINC000643450967 390447206 /nfs/dbraw/zinc/44/72/06/390447206.db2.gz JYMUHEPTQHJJHF-VBNZEHGJSA-N 2 2 294.395 0.787 20 0 CCADLP O=C(C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)NC1CCCC1 ZINC000643469807 390450873 /nfs/dbraw/zinc/45/08/73/390450873.db2.gz VCJRFNBNHDGMGN-DZGCQCFKSA-N 2 2 281.400 0.402 20 0 CCADLP CSC[C@@H](O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000556065310 390473110 /nfs/dbraw/zinc/47/31/10/390473110.db2.gz CGAGIPWJFMRVEI-MNOVXSKESA-N 2 2 255.387 0.933 20 0 CCADLP CSC[C@@H](O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000556065310 390473115 /nfs/dbraw/zinc/47/31/15/390473115.db2.gz CGAGIPWJFMRVEI-MNOVXSKESA-N 2 2 255.387 0.933 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)NCCCCn1cc[nH+]c1 ZINC000516633995 390483605 /nfs/dbraw/zinc/48/36/05/390483605.db2.gz RBOKQBJXFATRDD-GFCCVEGCSA-N 2 2 267.377 0.946 20 0 CCADLP CC[C@H](O)C[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000516661737 390484585 /nfs/dbraw/zinc/48/45/85/390484585.db2.gz RQVLBMPTZOEOKG-JSGCOSHPSA-N 2 2 256.390 0.942 20 0 CCADLP CC[C@H](O)C[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000516661737 390484587 /nfs/dbraw/zinc/48/45/87/390484587.db2.gz RQVLBMPTZOEOKG-JSGCOSHPSA-N 2 2 256.390 0.942 20 0 CCADLP [NH3+]Cc1ccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)o1 ZINC000649321012 390578559 /nfs/dbraw/zinc/57/85/59/390578559.db2.gz IHIFDLXCHQSXGU-CHWSQXEVSA-N 2 2 293.367 0.410 20 0 CCADLP Nc1cc[nH+]cc1C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000649321385 390579938 /nfs/dbraw/zinc/57/99/38/390579938.db2.gz VXPIIYFMDZVCIB-KGLIPLIRSA-N 2 2 290.367 0.165 20 0 CCADLP CC(C)[NH2+]CCC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000645932719 390534123 /nfs/dbraw/zinc/53/41/23/390534123.db2.gz BOQGGOPYDXYJME-LBPRGKRZSA-N 2 2 257.378 0.211 20 0 CCADLP CC(C)[NH2+]CCC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000645932719 390534129 /nfs/dbraw/zinc/53/41/29/390534129.db2.gz BOQGGOPYDXYJME-LBPRGKRZSA-N 2 2 257.378 0.211 20 0 CCADLP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CCN(c2cccc[nH+]2)CC1 ZINC000649276731 390544764 /nfs/dbraw/zinc/54/47/64/390544764.db2.gz BDNAOLVNYCJKOC-UPJWGTAASA-N 2 2 272.352 0.481 20 0 CCADLP COc1cccnc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000565822059 390548889 /nfs/dbraw/zinc/54/88/89/390548889.db2.gz UIHYVGOSLRZBMG-JTQLQIEISA-N 2 2 279.344 0.197 20 0 CCADLP COc1cccnc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000565822059 390548892 /nfs/dbraw/zinc/54/88/92/390548892.db2.gz UIHYVGOSLRZBMG-JTQLQIEISA-N 2 2 279.344 0.197 20 0 CCADLP C[C@H]([NH3+])C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000649285584 390550088 /nfs/dbraw/zinc/55/00/88/390550088.db2.gz FIKOJBUNKMVVCO-NSHDSACASA-N 2 2 290.367 0.360 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649293846 390555398 /nfs/dbraw/zinc/55/53/98/390555398.db2.gz LQKIYERXZBKJOH-QWRGUYRKSA-N 2 2 291.342 0.068 20 0 CCADLP C[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645977697 390555880 /nfs/dbraw/zinc/55/58/80/390555880.db2.gz JAYWNOCZKHHUQY-NEPJUHHUSA-N 3 2 268.405 0.008 20 0 CCADLP C[C@@H]([NH3+])CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645977697 390555882 /nfs/dbraw/zinc/55/58/82/390555882.db2.gz JAYWNOCZKHHUQY-NEPJUHHUSA-N 3 2 268.405 0.008 20 0 CCADLP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645977916 390556103 /nfs/dbraw/zinc/55/61/03/390556103.db2.gz NDOMDPZWMKTGFY-UKRRQHHQSA-N 3 2 296.459 0.645 20 0 CCADLP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645977916 390556104 /nfs/dbraw/zinc/55/61/04/390556104.db2.gz NDOMDPZWMKTGFY-UKRRQHHQSA-N 3 2 296.459 0.645 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645978154 390557538 /nfs/dbraw/zinc/55/75/38/390557538.db2.gz VRJWHAPFIFQWPR-KBPBESRZSA-N 3 2 296.459 0.659 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645978154 390557541 /nfs/dbraw/zinc/55/75/41/390557541.db2.gz VRJWHAPFIFQWPR-KBPBESRZSA-N 3 2 296.459 0.659 20 0 CCADLP CN1C(=O)CC[C@@H]([NH2+]Cc2cccc3[nH+]ccn32)C1=O ZINC000643802187 390558985 /nfs/dbraw/zinc/55/89/85/390558985.db2.gz ZAZSYYSUKYKXHP-LLVKDONJSA-N 2 2 272.308 0.571 20 0 CCADLP CCOc1cccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000520406570 390572485 /nfs/dbraw/zinc/57/24/85/390572485.db2.gz LJFYQLRRCAJWNG-CYBMUJFWSA-N 2 2 264.373 0.555 20 0 CCADLP CCOc1cccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])n1 ZINC000520406570 390572489 /nfs/dbraw/zinc/57/24/89/390572489.db2.gz LJFYQLRRCAJWNG-CYBMUJFWSA-N 2 2 264.373 0.555 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)C1CC[NH+](C)CC1 ZINC000649314916 390573306 /nfs/dbraw/zinc/57/33/06/390573306.db2.gz WRLTZRLFJRICSP-ONGXEEELSA-N 2 2 275.343 0.830 20 0 CCADLP O[C@@H]1CCC[C@H]1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000566088888 390575914 /nfs/dbraw/zinc/57/59/14/390575914.db2.gz HDARSJHFDNPWGL-CRWXNKLISA-N 2 2 254.374 0.504 20 0 CCADLP O=C([C@H]1CCC[NH2+]1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000649319510 390577320 /nfs/dbraw/zinc/57/73/20/390577320.db2.gz CEPJGLCHLRGQFQ-UONOGXRCSA-N 2 2 281.400 0.452 20 0 CCADLP CNC(=O)[C@]1(COC)CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000643829070 390577662 /nfs/dbraw/zinc/57/76/62/390577662.db2.gz PRATWGZSRMUWDC-CYBMUJFWSA-N 2 2 266.345 0.110 20 0 CCADLP CNC(=O)[C@]1(COC)CCC[N@H+]1CCn1cc[nH+]c1 ZINC000643829070 390577664 /nfs/dbraw/zinc/57/76/64/390577664.db2.gz PRATWGZSRMUWDC-CYBMUJFWSA-N 2 2 266.345 0.110 20 0 CCADLP C[C@H]1C[C@H](N(C)C(=O)Cn2cc[nH+]c2)CC[N@@H+]1C ZINC000522050189 390624049 /nfs/dbraw/zinc/62/40/49/390624049.db2.gz ZUVHRNJLIGPEEY-NWDGAFQWSA-N 2 2 250.346 0.824 20 0 CCADLP C[C@H]1C[C@H](N(C)C(=O)Cn2cc[nH+]c2)CC[N@H+]1C ZINC000522050189 390624051 /nfs/dbraw/zinc/62/40/51/390624051.db2.gz ZUVHRNJLIGPEEY-NWDGAFQWSA-N 2 2 250.346 0.824 20 0 CCADLP Cc1cccc2[nH+]c(CCNC(=O)NC[C@@H](C)[NH3+])cn21 ZINC000646205703 390632124 /nfs/dbraw/zinc/63/21/24/390632124.db2.gz PCORNRISCXJAOP-SNVBAGLBSA-N 2 2 275.356 0.832 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000566792207 390647657 /nfs/dbraw/zinc/64/76/57/390647657.db2.gz NLWZBEARYDRHBO-UKTARXLSSA-N 2 2 286.416 0.614 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000566792207 390647659 /nfs/dbraw/zinc/64/76/59/390647659.db2.gz NLWZBEARYDRHBO-UKTARXLSSA-N 2 2 286.416 0.614 20 0 CCADLP [NH3+]CCOCC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000646282804 390659400 /nfs/dbraw/zinc/65/94/00/390659400.db2.gz UAUASVGQGHTQJF-UHFFFAOYSA-N 2 2 295.358 0.445 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000646679098 390708019 /nfs/dbraw/zinc/70/80/19/390708019.db2.gz UKATZJSMXLHOBV-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000646679098 390708020 /nfs/dbraw/zinc/70/80/20/390708020.db2.gz UKATZJSMXLHOBV-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP [NH3+][C@H](C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)c1cscn1 ZINC000567669511 390710211 /nfs/dbraw/zinc/71/02/11/390710211.db2.gz UNCDXSXNGSIQHB-CKEKPRIKSA-N 2 2 266.370 0.339 20 0 CCADLP C[C@@H](C(=O)NCC[N@@H+]1CCOC(C)(C)C1)[NH+]1CC(C)C1 ZINC000568192902 390712652 /nfs/dbraw/zinc/71/26/52/390712652.db2.gz XPJLEDYWYAKTNL-ZDUSSCGKSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H](C(=O)NCC[N@H+]1CCOC(C)(C)C1)[NH+]1CC(C)C1 ZINC000568192902 390712655 /nfs/dbraw/zinc/71/26/55/390712655.db2.gz XPJLEDYWYAKTNL-ZDUSSCGKSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H](CC(=O)N[C@@H](CO)C[NH+]1CCCCC1)n1cc[nH+]c1 ZINC000570167765 390717601 /nfs/dbraw/zinc/71/76/01/390717601.db2.gz KCYTWCGVEMDEML-ZIAGYGMSSA-N 2 2 294.399 0.797 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000527709181 390719741 /nfs/dbraw/zinc/71/97/41/390719741.db2.gz GGFGUKSCVSVJEM-UHFFFAOYSA-N 2 2 299.378 0.931 20 0 CCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000646803445 390722475 /nfs/dbraw/zinc/72/24/75/390722475.db2.gz XGOOFZBGJKUMNW-ZDUSSCGKSA-N 2 2 282.432 0.080 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000527807664 390722867 /nfs/dbraw/zinc/72/28/67/390722867.db2.gz CXTGARFJJPXDAI-UHFFFAOYSA-N 2 2 299.378 0.931 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C(F)(F)F ZINC000646831875 390725245 /nfs/dbraw/zinc/72/52/45/390725245.db2.gz DBGCTFNRYKFYPV-YUMQZZPRSA-N 2 2 253.268 0.286 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C(F)(F)F ZINC000646831875 390725247 /nfs/dbraw/zinc/72/52/47/390725247.db2.gz DBGCTFNRYKFYPV-YUMQZZPRSA-N 2 2 253.268 0.286 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000570940501 390726020 /nfs/dbraw/zinc/72/60/20/390726020.db2.gz UDLAGCWNEDFPBW-LBPRGKRZSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000570940501 390726021 /nfs/dbraw/zinc/72/60/21/390726021.db2.gz UDLAGCWNEDFPBW-LBPRGKRZSA-N 2 2 294.399 0.815 20 0 CCADLP CC1([NH+]2CCOCC2)CC[NH+](CC2(O)CCOCC2)CC1 ZINC000528727669 390771644 /nfs/dbraw/zinc/77/16/44/390771644.db2.gz IYPLYHOWLATPJA-UHFFFAOYSA-N 2 2 298.427 0.715 20 0 CCADLP C[NH2+]CCC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000647098710 390775522 /nfs/dbraw/zinc/77/55/22/390775522.db2.gz YMCXLOQGDOIWOR-UHFFFAOYSA-N 2 2 260.341 0.911 20 0 CCADLP CCOC(=O)CC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000572367578 390779905 /nfs/dbraw/zinc/77/99/05/390779905.db2.gz ADMPOTPSVUTORX-UHFFFAOYSA-N 2 2 284.400 0.766 20 0 CCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC(n2cc[nH+]c2)C1 ZINC000572527569 390788062 /nfs/dbraw/zinc/78/80/62/390788062.db2.gz CEQVKSHLPIQINN-LLVKDONJSA-N 2 2 271.324 0.726 20 0 CCADLP O=C(N[C@@H]1CC[NH2+]C12CCC2)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000529318914 390807042 /nfs/dbraw/zinc/80/70/42/390807042.db2.gz CRCUAEUVKKSMBB-VXGBXAGGSA-N 2 2 289.383 0.782 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@@H](C)C[C@H](C)[NH3+])CCO1 ZINC000572719266 390799212 /nfs/dbraw/zinc/79/92/12/390799212.db2.gz RKBJFNWOKWWOTK-RWMBFGLXSA-N 2 2 286.420 0.522 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@@H](C)C[C@H](C)[NH3+])CCO1 ZINC000572719266 390799217 /nfs/dbraw/zinc/79/92/17/390799217.db2.gz RKBJFNWOKWWOTK-RWMBFGLXSA-N 2 2 286.420 0.522 20 0 CCADLP C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC000646911976 390738472 /nfs/dbraw/zinc/73/84/72/390738472.db2.gz KRDNECOLBSBNPZ-FRRDWIJNSA-N 2 2 274.368 0.608 20 0 CCADLP C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC000646911976 390738476 /nfs/dbraw/zinc/73/84/76/390738476.db2.gz KRDNECOLBSBNPZ-FRRDWIJNSA-N 2 2 274.368 0.608 20 0 CCADLP [NH3+]C1(CNC(=O)N2CCN(c3cccc[nH+]3)CC2)CCC1 ZINC000571626434 390744923 /nfs/dbraw/zinc/74/49/23/390744923.db2.gz WNNWBZBQJJZHLP-UHFFFAOYSA-N 2 2 289.383 0.795 20 0 CCADLP OC[C@H]1CC[C@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000571669288 390747860 /nfs/dbraw/zinc/74/78/60/390747860.db2.gz DGYGNXDEUSBGLY-NMFUWQPSSA-N 2 2 268.401 0.894 20 0 CCADLP C[C@H](C(=O)N(C1CC1)C1CC[NH2+]CC1)[NH+]1CCN(C)CC1 ZINC000647643646 390856721 /nfs/dbraw/zinc/85/67/21/390856721.db2.gz MPACHMADXPOAJO-CYBMUJFWSA-N 2 2 294.443 0.365 20 0 CCADLP C[C@@H](C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1)S(C)(=O)=O ZINC000578079694 390863765 /nfs/dbraw/zinc/86/37/65/390863765.db2.gz AFBZIWFRCYWACK-QWRGUYRKSA-N 2 2 271.386 0.643 20 0 CCADLP C[C@@H](C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1)S(C)(=O)=O ZINC000578079694 390863767 /nfs/dbraw/zinc/86/37/67/390863767.db2.gz AFBZIWFRCYWACK-QWRGUYRKSA-N 2 2 271.386 0.643 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000578141461 390866800 /nfs/dbraw/zinc/86/68/00/390866800.db2.gz LKAJOGSQOJWLLG-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000578141461 390866802 /nfs/dbraw/zinc/86/68/02/390866802.db2.gz LKAJOGSQOJWLLG-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP COc1ccsc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000572975596 390815880 /nfs/dbraw/zinc/81/58/80/390815880.db2.gz YSTVUIVTJMOPBT-UWVGGRQHSA-N 2 2 281.381 0.501 20 0 CCADLP COc1ccsc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000572975596 390815882 /nfs/dbraw/zinc/81/58/82/390815882.db2.gz YSTVUIVTJMOPBT-UWVGGRQHSA-N 2 2 281.381 0.501 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC[C@@H]2CCCOC2)[C@@H](C[NH3+])C1 ZINC000529350597 390816357 /nfs/dbraw/zinc/81/63/57/390816357.db2.gz UJMPUJMJOWFNQG-STQMWFEESA-N 2 2 284.404 0.087 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC[C@@H]2CCCOC2)[C@@H](C[NH3+])C1 ZINC000529350597 390816360 /nfs/dbraw/zinc/81/63/60/390816360.db2.gz UJMPUJMJOWFNQG-STQMWFEESA-N 2 2 284.404 0.087 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2ccc3c(c2)CCO3)[C@@H](C[NH3+])C1 ZINC000572999412 390818197 /nfs/dbraw/zinc/81/81/97/390818197.db2.gz WACFIEIEXQJOKJ-AWEZNQCLSA-N 2 2 289.379 0.265 20 0 CCADLP CC(C)(CNC(=O)CC(F)(F)C[NH3+])[NH+]1CCOCC1 ZINC000573692600 390821747 /nfs/dbraw/zinc/82/17/47/390821747.db2.gz DHWLHLHEUOHQFX-UHFFFAOYSA-N 2 2 279.331 0.198 20 0 CCADLP COC[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccco1 ZINC000574906418 390822606 /nfs/dbraw/zinc/82/26/06/390822606.db2.gz BUKZQKCXYKAIBL-VXGBXAGGSA-N 2 2 296.371 0.251 20 0 CCADLP COC[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccco1 ZINC000574906418 390822608 /nfs/dbraw/zinc/82/26/08/390822608.db2.gz BUKZQKCXYKAIBL-VXGBXAGGSA-N 2 2 296.371 0.251 20 0 CCADLP C[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1cscn1 ZINC000574928303 390827022 /nfs/dbraw/zinc/82/70/22/390827022.db2.gz QEUMZILWKMJCIG-NXEZZACHSA-N 2 2 283.401 0.488 20 0 CCADLP C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1cscn1 ZINC000574928303 390827025 /nfs/dbraw/zinc/82/70/25/390827025.db2.gz QEUMZILWKMJCIG-NXEZZACHSA-N 2 2 283.401 0.488 20 0 CCADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000647516157 390828739 /nfs/dbraw/zinc/82/87/39/390828739.db2.gz RJWLPOAJEWUCLV-HZPDHXFCSA-N 3 2 280.460 0.698 20 0 CCADLP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000647516157 390828741 /nfs/dbraw/zinc/82/87/41/390828741.db2.gz RJWLPOAJEWUCLV-HZPDHXFCSA-N 3 2 280.460 0.698 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCC2(CO)CC2)C[C@H](C)O1 ZINC000647530319 390834665 /nfs/dbraw/zinc/83/46/65/390834665.db2.gz SDILYCGOGFLPSH-HZSPNIEDSA-N 2 2 286.416 0.209 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCC2(CO)CC2)C[C@H](C)O1 ZINC000647530319 390834666 /nfs/dbraw/zinc/83/46/66/390834666.db2.gz SDILYCGOGFLPSH-HZSPNIEDSA-N 2 2 286.416 0.209 20 0 CCADLP C[NH2+]C1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000578624580 390895218 /nfs/dbraw/zinc/89/52/18/390895218.db2.gz HXNZVISWOZRQDF-OAHLLOKOSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH2+]C1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000578624580 390895220 /nfs/dbraw/zinc/89/52/20/390895220.db2.gz HXNZVISWOZRQDF-OAHLLOKOSA-N 2 2 295.427 0.840 20 0 CCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N[C@H]1CC[NH2+]C1 ZINC000578644817 390896305 /nfs/dbraw/zinc/89/63/05/390896305.db2.gz JLWFITUCOMZELJ-ZDUSSCGKSA-N 2 2 289.383 0.843 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](O)C12CCCC2 ZINC000578761555 390900631 /nfs/dbraw/zinc/90/06/31/390900631.db2.gz JIRNEWKBKMGLRT-ZIAGYGMSSA-N 2 2 286.416 0.305 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](O)C12CCCC2 ZINC000578761555 390900632 /nfs/dbraw/zinc/90/06/32/390900632.db2.gz JIRNEWKBKMGLRT-ZIAGYGMSSA-N 2 2 286.416 0.305 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000578761555 390900633 /nfs/dbraw/zinc/90/06/33/390900633.db2.gz JIRNEWKBKMGLRT-ZIAGYGMSSA-N 2 2 286.416 0.305 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000578761555 390900634 /nfs/dbraw/zinc/90/06/34/390900634.db2.gz JIRNEWKBKMGLRT-ZIAGYGMSSA-N 2 2 286.416 0.305 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000578784162 390902483 /nfs/dbraw/zinc/90/24/83/390902483.db2.gz CFJMZIPEQNFXIV-JTQLQIEISA-N 2 2 261.329 0.910 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000578784162 390902485 /nfs/dbraw/zinc/90/24/85/390902485.db2.gz CFJMZIPEQNFXIV-JTQLQIEISA-N 2 2 261.329 0.910 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2CCCC[NH2+]2)C[C@H]1C ZINC000423900664 533420160 /nfs/dbraw/zinc/42/01/60/533420160.db2.gz RXBWTGLROWRSJZ-OLZOCXBDSA-N 2 2 297.399 0.224 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2CCCC[NH2+]2)C[C@H]1C ZINC000423900664 533420165 /nfs/dbraw/zinc/42/01/65/533420165.db2.gz RXBWTGLROWRSJZ-OLZOCXBDSA-N 2 2 297.399 0.224 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]([NH3+])C(C)C)C[C@H]1C ZINC000423893584 533422882 /nfs/dbraw/zinc/42/28/82/533422882.db2.gz LIMHGUKAFCZGGG-DGCLKSJQSA-N 2 2 285.388 0.066 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]([NH3+])C(C)C)C[C@H]1C ZINC000423893584 533422885 /nfs/dbraw/zinc/42/28/85/533422885.db2.gz LIMHGUKAFCZGGG-DGCLKSJQSA-N 2 2 285.388 0.066 20 0 CCADLP C[C@@H](CCCC[NH3+])NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000418226291 533534655 /nfs/dbraw/zinc/53/46/55/533534655.db2.gz YMNZIZCKTBFSLC-JSGCOSHPSA-N 2 2 298.431 0.666 20 0 CCADLP C[C@@H](CCCC[NH3+])NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000418226291 533534659 /nfs/dbraw/zinc/53/46/59/533534659.db2.gz YMNZIZCKTBFSLC-JSGCOSHPSA-N 2 2 298.431 0.666 20 0 CCADLP COC(=O)COC[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000449196417 533551104 /nfs/dbraw/zinc/55/11/04/533551104.db2.gz SBZLWSSCKPOGHZ-GMXVVIOVSA-N 2 2 270.373 0.637 20 0 CCADLP COC(=O)COC[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000449196417 533551108 /nfs/dbraw/zinc/55/11/08/533551108.db2.gz SBZLWSSCKPOGHZ-GMXVVIOVSA-N 2 2 270.373 0.637 20 0 CCADLP [NH3+]C1(C[NH2+]CCS(=O)(=O)c2ccccc2)CCC1 ZINC000342129837 130288993 /nfs/dbraw/zinc/28/89/93/130288993.db2.gz HNZOVPNAQJFGQE-UHFFFAOYSA-N 2 2 268.382 0.931 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H](C)[C@H](C)[NH3+])[NH+]1CCOCC1 ZINC000192110821 130373781 /nfs/dbraw/zinc/37/37/81/130373781.db2.gz XDEMWIRZFHHSQE-FIQHERPVSA-N 2 2 257.378 0.195 20 0 CCADLP C[C@@H](c1cnccn1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000342224037 130395780 /nfs/dbraw/zinc/39/57/80/130395780.db2.gz VAZLNAONLGNIAH-LBPRGKRZSA-N 2 2 264.373 0.926 20 0 CCADLP C[C@@H](c1cnccn1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000342224037 130395783 /nfs/dbraw/zinc/39/57/83/130395783.db2.gz VAZLNAONLGNIAH-LBPRGKRZSA-N 2 2 264.373 0.926 20 0 CCADLP C[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000237464640 131033518 /nfs/dbraw/zinc/03/35/18/131033518.db2.gz APTDEJMGTPYAJO-OCCSQVGLSA-N 2 2 277.368 0.523 20 0 CCADLP C[C@H]1CN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CC[NH2+]1 ZINC000237581026 131043924 /nfs/dbraw/zinc/04/39/24/131043924.db2.gz JHUGFIXDWAWSMA-NSHDSACASA-N 2 2 271.324 0.701 20 0 CCADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)[C@@H]1C[NH2+]CCO1 ZINC000238059718 131074931 /nfs/dbraw/zinc/07/49/31/131074931.db2.gz JRXYIITZTJEZQG-ZDUSSCGKSA-N 2 2 290.367 0.286 20 0 CCADLP O=C(NC1CC[NH2+]CC1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000262496813 131225991 /nfs/dbraw/zinc/22/59/91/131225991.db2.gz CXINBEGXYGBPNT-UHFFFAOYSA-N 2 2 271.324 0.749 20 0 CCADLP OCCC[NH+]1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000263814439 131337295 /nfs/dbraw/zinc/33/72/95/131337295.db2.gz VIZLWWHMJHTKSI-UHFFFAOYSA-N 2 2 261.329 0.462 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)c[nH+]1 ZINC000269223757 132135834 /nfs/dbraw/zinc/13/58/34/132135834.db2.gz BZIHNLCJSAIDPJ-NEPJUHHUSA-N 2 2 262.357 0.891 20 0 CCADLP C[C@@H](c1cccc(NC(=O)C[NH3+])c1)[NH+]1CCOCC1 ZINC000269244530 132141098 /nfs/dbraw/zinc/14/10/98/132141098.db2.gz CZGPKKCUDXJSPD-NSHDSACASA-N 2 2 263.341 0.977 20 0 CCADLP Cc1cncc(CC[NH2+]Cc2c[nH+]c(N(C)C)n2C)n1 ZINC000657713294 413055113 /nfs/dbraw/zinc/05/51/13/413055113.db2.gz QAMHIDRTQVIYLZ-UHFFFAOYSA-N 2 2 274.372 0.917 20 0 CCADLP C[C@H](Cn1cncn1)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000657898953 413073152 /nfs/dbraw/zinc/07/31/52/413073152.db2.gz SCECPRARYVJEDU-NEPJUHHUSA-N 2 2 269.418 0.694 20 0 CCADLP CCn1ncc(C[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)n1 ZINC000530208502 285569489 /nfs/dbraw/zinc/56/94/89/285569489.db2.gz HFCKHOZUXZPUGI-GHMZBOCLSA-N 2 2 253.350 0.155 20 0 CCADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000530242072 285581479 /nfs/dbraw/zinc/58/14/79/285581479.db2.gz JWNNPXHCCNLOGK-UHFFFAOYSA-N 2 2 294.424 0.891 20 0 CCADLP C[C@@H](Cn1cncn1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000658006487 413088292 /nfs/dbraw/zinc/08/82/92/413088292.db2.gz HVXUIOKWPVRSPZ-NSHDSACASA-N 2 2 260.345 0.989 20 0 CCADLP COCc1nnc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)[nH]1 ZINC000658162882 413108116 /nfs/dbraw/zinc/10/81/16/413108116.db2.gz XAJDIMWCKMELDT-JTQLQIEISA-N 2 2 267.377 0.771 20 0 CCADLP Cc1cn2c([nH+]1)CN(C[C@H](O)C[N@@H+](C)C1CC1)CC2 ZINC000685572299 545836165 /nfs/dbraw/zinc/83/61/65/545836165.db2.gz MLYHFZHVJFLDNZ-CYBMUJFWSA-N 2 2 264.373 0.462 20 0 CCADLP Cc1cn2c([nH+]1)CN(C[C@H](O)C[N@H+](C)C1CC1)CC2 ZINC000685572299 545836170 /nfs/dbraw/zinc/83/61/70/545836170.db2.gz MLYHFZHVJFLDNZ-CYBMUJFWSA-N 2 2 264.373 0.462 20 0 CCADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCC[NH2+]1 ZINC000036882382 397378304 /nfs/dbraw/zinc/37/83/04/397378304.db2.gz XECDYUNUHPDLPX-CYBMUJFWSA-N 2 2 274.368 0.919 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)N1CCOCC1 ZINC000037917640 397389838 /nfs/dbraw/zinc/38/98/38/397389838.db2.gz OSWLBZQMYSXBFU-ZIAGYGMSSA-N 2 2 281.400 0.309 20 0 CCADLP O=C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)N1CCOCC1 ZINC000037917640 397389841 /nfs/dbraw/zinc/38/98/41/397389841.db2.gz OSWLBZQMYSXBFU-ZIAGYGMSSA-N 2 2 281.400 0.309 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+](CCN2CCCC2=O)CC1 ZINC000115547379 397411550 /nfs/dbraw/zinc/41/15/50/397411550.db2.gz XRUDSMGVJWCRCB-UHFFFAOYSA-N 2 2 283.416 0.387 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+](CCN2CCCC2=O)CC1 ZINC000115547379 397411553 /nfs/dbraw/zinc/41/15/53/397411553.db2.gz XRUDSMGVJWCRCB-UHFFFAOYSA-N 2 2 283.416 0.387 20 0 CCADLP [NH3+]CCOCC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000357065447 144055787 /nfs/dbraw/zinc/05/57/87/144055787.db2.gz AQCNDMABFYDWJF-AWEZNQCLSA-N 3 2 271.405 0.006 20 0 CCADLP [NH3+]CCOCC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000357065447 144055789 /nfs/dbraw/zinc/05/57/89/144055789.db2.gz AQCNDMABFYDWJF-AWEZNQCLSA-N 3 2 271.405 0.006 20 0 CCADLP C[C@H](C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)CS(C)(=O)=O ZINC000357079392 144057618 /nfs/dbraw/zinc/05/76/18/144057618.db2.gz SGXNPIODNTXAKF-UTUOFQBUSA-N 2 2 260.403 0.208 20 0 CCADLP C[C@H](C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)CS(C)(=O)=O ZINC000357079392 144057620 /nfs/dbraw/zinc/05/76/20/144057620.db2.gz SGXNPIODNTXAKF-UTUOFQBUSA-N 2 2 260.403 0.208 20 0 CCADLP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000357254511 144074962 /nfs/dbraw/zinc/07/49/62/144074962.db2.gz JJKXPZDWFUMHEN-ZIAGYGMSSA-N 2 2 283.416 0.421 20 0 CCADLP C[C@H]1[C@H]([NH+]2CCOCC2)CCN1c1cc[nH+]c(N(C)C)n1 ZINC000357598781 144102985 /nfs/dbraw/zinc/10/29/85/144102985.db2.gz SIKHNURNUVDCBZ-QWHCGFSZSA-N 2 2 291.399 0.842 20 0 CCADLP COC(=O)c1coc(C[N@@H+](C)C2CC[NH+](CCO)CC2)c1 ZINC000357649549 144108787 /nfs/dbraw/zinc/10/87/87/144108787.db2.gz NBPIAEXOHVPSQB-UHFFFAOYSA-N 2 2 296.367 0.955 20 0 CCADLP C[N@H+](CC(=O)N1CCCCC1)C1CC[NH+](CCO)CC1 ZINC000357652181 144108976 /nfs/dbraw/zinc/10/89/76/144108976.db2.gz TWIKUOMTAHAFRU-UHFFFAOYSA-N 2 2 283.416 0.387 20 0 CCADLP C[N@@H+](CC(=O)N1CCCCC1)C1CC[NH+](CCO)CC1 ZINC000357652181 144108978 /nfs/dbraw/zinc/10/89/78/144108978.db2.gz TWIKUOMTAHAFRU-UHFFFAOYSA-N 2 2 283.416 0.387 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-n3cncn3)cc2)CCO1 ZINC000357973409 144139008 /nfs/dbraw/zinc/13/90/08/144139008.db2.gz WRKPIPCBPOZJOT-AWEZNQCLSA-N 2 2 273.340 0.427 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-n3cncn3)cc2)CCO1 ZINC000357973409 144139009 /nfs/dbraw/zinc/13/90/09/144139009.db2.gz WRKPIPCBPOZJOT-AWEZNQCLSA-N 2 2 273.340 0.427 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000358567772 144162816 /nfs/dbraw/zinc/16/28/16/144162816.db2.gz YGGHBORSEOUBQK-AWEZNQCLSA-N 2 2 285.432 0.801 20 0 CCADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000358831155 144182198 /nfs/dbraw/zinc/18/21/98/144182198.db2.gz PXLFPIZKODAYJX-GFCCVEGCSA-N 2 2 282.413 0.874 20 0 CCADLP Cc1[nH+]ccn1CCCC[N@H+]1CCSC[C@@H]1C(N)=O ZINC000358831155 144182199 /nfs/dbraw/zinc/18/21/99/144182199.db2.gz PXLFPIZKODAYJX-GFCCVEGCSA-N 2 2 282.413 0.874 20 0 CCADLP CC[C@H](C)[C@H](C[NH2+]CC(=O)N1CC[NH+](C)CC1)OC ZINC000381168794 397485490 /nfs/dbraw/zinc/48/54/90/397485490.db2.gz OXLYAEMLGANCBU-STQMWFEESA-N 2 2 271.405 0.411 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000369679939 144276558 /nfs/dbraw/zinc/27/65/58/144276558.db2.gz YMAJBTZOAJLPDU-ZDUSSCGKSA-N 2 2 267.373 0.014 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000369679939 144276560 /nfs/dbraw/zinc/27/65/60/144276560.db2.gz YMAJBTZOAJLPDU-ZDUSSCGKSA-N 2 2 267.373 0.014 20 0 CCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000370151373 144292299 /nfs/dbraw/zinc/29/22/99/144292299.db2.gz VRFMBQLPJMIKQW-LSDHHAIUSA-N 2 2 296.459 0.469 20 0 CCADLP CC(C)NC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000370151373 144292300 /nfs/dbraw/zinc/29/23/00/144292300.db2.gz VRFMBQLPJMIKQW-LSDHHAIUSA-N 2 2 296.459 0.469 20 0 CCADLP C[C@H]1C[N@H+](Cc2ccn(C)n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370705234 144312875 /nfs/dbraw/zinc/31/28/75/144312875.db2.gz FOHGSZWSFLJKAE-GOEBONIOSA-N 2 2 291.443 0.878 20 0 CCADLP C[C@H]1C[N@@H+](Cc2ccn(C)n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370705234 144312876 /nfs/dbraw/zinc/31/28/76/144312876.db2.gz FOHGSZWSFLJKAE-GOEBONIOSA-N 2 2 291.443 0.878 20 0 CCADLP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)NC[C@H]2CCCO2)CC1 ZINC000372992540 144388200 /nfs/dbraw/zinc/38/82/00/144388200.db2.gz XUFZASFABIWBLA-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)NC[C@H]2CCCO2)CC1 ZINC000372992540 144388201 /nfs/dbraw/zinc/38/82/01/144388201.db2.gz XUFZASFABIWBLA-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCCCO)C2)CC1 ZINC000373273289 144399860 /nfs/dbraw/zinc/39/98/60/144399860.db2.gz WOBPLUHIUIDTMM-CYBMUJFWSA-N 2 2 298.431 0.227 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCCCO)C2)CC1 ZINC000373273289 144399861 /nfs/dbraw/zinc/39/98/61/144399861.db2.gz WOBPLUHIUIDTMM-CYBMUJFWSA-N 2 2 298.431 0.227 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](CCc2ccncc2)CC1=O ZINC000649685344 397654934 /nfs/dbraw/zinc/65/49/34/397654934.db2.gz XWXRBUIOWKKNAM-UHFFFAOYSA-N 2 2 276.384 0.330 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](CCc2ccncc2)CC1=O ZINC000649685344 397654937 /nfs/dbraw/zinc/65/49/37/397654937.db2.gz XWXRBUIOWKKNAM-UHFFFAOYSA-N 2 2 276.384 0.330 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](CCO[C@@H]2CCCCO2)CC1=O ZINC000649685863 397655886 /nfs/dbraw/zinc/65/58/86/397655886.db2.gz OSJMZAGJGOMUGD-OAHLLOKOSA-N 2 2 299.415 0.235 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](CCO[C@@H]2CCCCO2)CC1=O ZINC000649685863 397655890 /nfs/dbraw/zinc/65/58/90/397655890.db2.gz OSJMZAGJGOMUGD-OAHLLOKOSA-N 2 2 299.415 0.235 20 0 CCADLP CC[C@@H]1C[N@@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)CC[C@H]1[NH3+] ZINC000649416824 397609352 /nfs/dbraw/zinc/60/93/52/397609352.db2.gz MYJJFMNZEBMZFI-MRVWCRGKSA-N 2 2 291.399 0.585 20 0 CCADLP CC[C@@H]1C[N@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)CC[C@H]1[NH3+] ZINC000649416824 397609354 /nfs/dbraw/zinc/60/93/54/397609354.db2.gz MYJJFMNZEBMZFI-MRVWCRGKSA-N 2 2 291.399 0.585 20 0 CCADLP c1cn(CC[N@@H+]2CCn3c(CC4CC4)nnc3C2)c[nH+]1 ZINC000649704963 397659263 /nfs/dbraw/zinc/65/92/63/397659263.db2.gz DHMMFVPJKLKQOM-UHFFFAOYSA-N 2 2 272.356 0.943 20 0 CCADLP c1cn(CC[N@H+]2CCn3c(CC4CC4)nnc3C2)c[nH+]1 ZINC000649704963 397659265 /nfs/dbraw/zinc/65/92/65/397659265.db2.gz DHMMFVPJKLKQOM-UHFFFAOYSA-N 2 2 272.356 0.943 20 0 CCADLP COCC[NH2+]C1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000650704165 397746450 /nfs/dbraw/zinc/74/64/50/397746450.db2.gz LAESDCRCVFPVPW-AWEZNQCLSA-N 3 2 255.406 0.686 20 0 CCADLP CC(C)[C@@H](Cn1cccn1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000651208626 397852188 /nfs/dbraw/zinc/85/21/88/397852188.db2.gz OIXRQGPDHHLCBU-CQSZACIVSA-N 2 2 293.415 0.271 20 0 CCADLP COCC[N@H+](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000651235033 397855127 /nfs/dbraw/zinc/85/51/27/397855127.db2.gz DUYQYSKSPVKGLV-GFCCVEGCSA-N 2 2 268.361 0.529 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000651235033 397855130 /nfs/dbraw/zinc/85/51/30/397855130.db2.gz DUYQYSKSPVKGLV-GFCCVEGCSA-N 2 2 268.361 0.529 20 0 CCADLP C[C@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)S(C)(=O)=O ZINC000544706198 285840588 /nfs/dbraw/zinc/84/05/88/285840588.db2.gz KIUUFXQIURDDQB-SNVBAGLBSA-N 2 2 271.386 0.670 20 0 CCADLP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cc1c[nH+]cn1C ZINC000548256464 286020420 /nfs/dbraw/zinc/02/04/20/286020420.db2.gz CBGLXOVSYLJZLZ-WCQYABFASA-N 2 2 264.373 0.761 20 0 CCADLP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)Cc1c[nH+]cn1C ZINC000548256464 286020421 /nfs/dbraw/zinc/02/04/21/286020421.db2.gz CBGLXOVSYLJZLZ-WCQYABFASA-N 2 2 264.373 0.761 20 0 CCADLP NC(=O)c1c[nH+]ccc1N[C@H]1CCn2cc[nH+]c2C1 ZINC000548288556 286022902 /nfs/dbraw/zinc/02/29/02/286022902.db2.gz JNSTUYTYZOZOOR-VIFPVBQESA-N 2 2 257.297 0.226 20 0 CCADLP CC[C@@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)c1[nH]cc[nH+]1 ZINC000548734002 286063826 /nfs/dbraw/zinc/06/38/26/286063826.db2.gz IDPASPMOHLMTIS-NEPJUHHUSA-N 2 2 277.372 0.367 20 0 CCADLP CC[C@@H](NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)c1[nH]cc[nH+]1 ZINC000548734002 286063828 /nfs/dbraw/zinc/06/38/28/286063828.db2.gz IDPASPMOHLMTIS-NEPJUHHUSA-N 2 2 277.372 0.367 20 0 CCADLP CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000552744242 286171788 /nfs/dbraw/zinc/17/17/88/286171788.db2.gz RQTZONMMXOKGNW-UHFFFAOYSA-N 2 2 289.339 0.341 20 0 CCADLP CC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000552744242 286171792 /nfs/dbraw/zinc/17/17/92/286171792.db2.gz RQTZONMMXOKGNW-UHFFFAOYSA-N 2 2 289.339 0.341 20 0 CCADLP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261589292 298130108 /nfs/dbraw/zinc/13/01/08/298130108.db2.gz WGHSHRHQWOEYRM-RISCZKNCSA-N 2 2 253.390 0.975 20 0 CCADLP C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261589292 298130109 /nfs/dbraw/zinc/13/01/09/298130109.db2.gz WGHSHRHQWOEYRM-RISCZKNCSA-N 2 2 253.390 0.975 20 0 CCADLP CC[C@@H](C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)[NH+](C)C ZINC000124659504 286740692 /nfs/dbraw/zinc/74/06/92/286740692.db2.gz IBRDPXAWGMUAFI-UONOGXRCSA-N 2 2 285.432 0.800 20 0 CCADLP CC(C)OC[C@H]([NH3+])C(=O)N(C)Cc1[nH+]ccn1C ZINC000659316666 413403815 /nfs/dbraw/zinc/40/38/15/413403815.db2.gz QFCCVXJNYJUSQT-JTQLQIEISA-N 2 2 254.334 0.131 20 0 CCADLP [NH3+]C1(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CCCCC1 ZINC000659357618 413443809 /nfs/dbraw/zinc/44/38/09/413443809.db2.gz LAHVHTAQUODDTD-CYBMUJFWSA-N 2 2 281.400 0.581 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000049154318 411671234 /nfs/dbraw/zinc/67/12/34/411671234.db2.gz YQBDQHCDJNJZTQ-NEPJUHHUSA-N 2 2 265.361 0.665 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000049154318 411671239 /nfs/dbraw/zinc/67/12/39/411671239.db2.gz YQBDQHCDJNJZTQ-NEPJUHHUSA-N 2 2 265.361 0.665 20 0 CCADLP C[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)C[NH+]1CCCC1 ZINC000062071584 411686537 /nfs/dbraw/zinc/68/65/37/411686537.db2.gz VFEAYGFRGHONKY-CABCVRRESA-N 3 2 269.433 0.765 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C[C@@H](C)O1 ZINC000314194621 411754923 /nfs/dbraw/zinc/75/49/23/411754923.db2.gz NUSRJGBJHHOXCA-SYQHCUMBSA-N 2 2 253.390 0.247 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C[C@@H](C)O1 ZINC000314194621 411754928 /nfs/dbraw/zinc/75/49/28/411754928.db2.gz NUSRJGBJHHOXCA-SYQHCUMBSA-N 2 2 253.390 0.247 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)[C@@H]1CCCOC1 ZINC000356900208 411768117 /nfs/dbraw/zinc/76/81/17/411768117.db2.gz OQHLYJCVDYIOKW-BFHYXJOUSA-N 2 2 255.406 0.637 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)[C@@H]1CCCOC1 ZINC000356900208 411768119 /nfs/dbraw/zinc/76/81/19/411768119.db2.gz OQHLYJCVDYIOKW-BFHYXJOUSA-N 2 2 255.406 0.637 20 0 CCADLP O=C([C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000407245874 411803102 /nfs/dbraw/zinc/80/31/02/411803102.db2.gz ALANSFDMLQURCS-KKUMJFAQSA-N 2 2 293.411 0.450 20 0 CCADLP Cc1c[nH+]ccc1CCN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405500979 411804740 /nfs/dbraw/zinc/80/47/40/411804740.db2.gz QVJVXUPWWVBOHN-LSDHHAIUSA-N 2 2 261.369 0.683 20 0 CCADLP Cc1c[nH+]ccc1CCN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405500979 411804744 /nfs/dbraw/zinc/80/47/44/411804744.db2.gz QVJVXUPWWVBOHN-LSDHHAIUSA-N 2 2 261.369 0.683 20 0 CCADLP CCn1c[nH+]cc1CN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000651891565 411952672 /nfs/dbraw/zinc/95/26/72/411952672.db2.gz BLWVRBCMJRPJAA-UHFFFAOYSA-N 2 2 279.388 0.109 20 0 CCADLP C[NH2+]C[C@](C)(O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000652338926 412031786 /nfs/dbraw/zinc/03/17/86/412031786.db2.gz NUBMQYNNJROSDN-ZDUSSCGKSA-N 3 2 252.362 0.490 20 0 CCADLP c1c(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)nn2c1CCC2 ZINC000652340725 412032357 /nfs/dbraw/zinc/03/23/57/412032357.db2.gz HFXQAHLFPWIOEZ-HNNXBMFYSA-N 2 2 275.400 0.309 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCc1ccc2c(c1)CCO2 ZINC000653090098 412214471 /nfs/dbraw/zinc/21/44/71/412214471.db2.gz FDAFFKTXRWQXJU-AWEZNQCLSA-N 2 2 291.395 0.559 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@@H]1CCC[NH2+]1 ZINC000653048020 412199543 /nfs/dbraw/zinc/19/95/43/412199543.db2.gz BSJACHPSNQHUGQ-NSHDSACASA-N 2 2 262.357 0.630 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC[NH2+]1 ZINC000653050759 412201590 /nfs/dbraw/zinc/20/15/90/412201590.db2.gz SLAZJQSUIKTCQG-LLVKDONJSA-N 2 2 262.357 0.582 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCn2c3ccccc3nc21 ZINC000653057839 412206119 /nfs/dbraw/zinc/20/61/19/412206119.db2.gz RZKXRPCAKBKTEI-NSHDSACASA-N 2 2 287.367 0.662 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCc1cccs1 ZINC000653059573 412206519 /nfs/dbraw/zinc/20/65/19/412206519.db2.gz DYGGJTBBWGSZPK-LLVKDONJSA-N 2 2 255.387 0.686 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1ccc(CO)c(F)c1 ZINC000653077296 412209727 /nfs/dbraw/zinc/20/97/27/412209727.db2.gz XEBICIXQFZPLOW-CYBMUJFWSA-N 2 2 283.347 0.213 20 0 CCADLP COc1ccc(CN(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)cc1O ZINC000653076658 412210103 /nfs/dbraw/zinc/21/01/03/412210103.db2.gz ANUUXUADJZAONP-GFCCVEGCSA-N 2 2 295.383 0.638 20 0 CCADLP C[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C(=O)Nc1ccccc1 ZINC000653089999 412214324 /nfs/dbraw/zinc/21/43/24/412214324.db2.gz BCIDXCLTPLEDIB-DGCLKSJQSA-N 2 2 292.383 0.409 20 0 CCADLP CCc1cc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)n(C)n1 ZINC000653092340 412216033 /nfs/dbraw/zinc/21/60/33/412216033.db2.gz ZNGWKIFKFJVMIV-JTQLQIEISA-N 2 2 253.350 0.200 20 0 CCADLP Cn1cc([C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C(C)(C)C)cn1 ZINC000653102424 412218510 /nfs/dbraw/zinc/21/85/10/412218510.db2.gz XYZSGNHBPVWUAR-CHWSQXEVSA-N 2 2 295.431 0.903 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCCCCC1 ZINC000653105603 412219550 /nfs/dbraw/zinc/21/95/50/412219550.db2.gz BSMCLYRZUJYICF-CQSZACIVSA-N 3 2 284.448 0.648 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000653104568 412220203 /nfs/dbraw/zinc/22/02/03/412220203.db2.gz LNNAGZIYNAPKLZ-WUHRBBMRSA-N 2 2 269.389 0.339 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)[C@H]1CCC[NH2+]CC1 ZINC000653105202 412220836 /nfs/dbraw/zinc/22/08/36/412220836.db2.gz KLSYXMOXVHLNLZ-LBPRGKRZSA-N 2 2 250.346 0.779 20 0 CCADLP C[C@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)N(C)c1ccccc1 ZINC000653109458 412222938 /nfs/dbraw/zinc/22/29/38/412222938.db2.gz BUTRKWRZIYFFAT-UKRRQHHQSA-N 2 2 292.427 0.907 20 0 CCADLP C[NH+](C)CC[C@@H](N)C(=O)NCCCNc1cccc[nH+]1 ZINC000653110770 412223724 /nfs/dbraw/zinc/22/37/24/412223724.db2.gz UEKLBIGUTOFWOQ-GFCCVEGCSA-N 2 2 279.388 0.279 20 0 CCADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653112694 412224756 /nfs/dbraw/zinc/22/47/56/412224756.db2.gz HOMDJEKMKRUBFR-KBPBESRZSA-N 3 2 298.475 0.892 20 0 CCADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653112694 412224759 /nfs/dbraw/zinc/22/47/59/412224759.db2.gz HOMDJEKMKRUBFR-KBPBESRZSA-N 3 2 298.475 0.892 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCC[NH2+]CC1)[C@H](C)[NH+]1CCOCC1 ZINC000653117880 412227176 /nfs/dbraw/zinc/22/71/76/412227176.db2.gz YCKBVHKTKNMTAS-MELADBBJSA-N 2 2 283.416 0.602 20 0 CCADLP C[NH+](C)CC[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(C)(C)C ZINC000653120031 412229250 /nfs/dbraw/zinc/22/92/50/412229250.db2.gz CTWWXVCYILEWPH-QWHCGFSZSA-N 3 2 286.464 0.748 20 0 CCADLP CO[C@H]1CCCC[C@@H]1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653150513 412243343 /nfs/dbraw/zinc/24/33/43/412243343.db2.gz DKJLVGBHFJNCFD-SRVKXCTJSA-N 2 2 257.378 0.339 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCc2cccc(F)c21 ZINC000653155521 412244843 /nfs/dbraw/zinc/24/48/43/412244843.db2.gz XFUKMDYPLULIGK-GFCCVEGCSA-N 2 2 265.332 0.994 20 0 CCADLP COCC[C@H]1CCCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653159385 412246335 /nfs/dbraw/zinc/24/63/35/412246335.db2.gz AUMZSJYVFDWBCX-ZIAGYGMSSA-N 2 2 285.432 0.931 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCOCC12CCC2 ZINC000653168942 412250879 /nfs/dbraw/zinc/25/08/79/412250879.db2.gz UVZCDOYUVRTLBH-LLVKDONJSA-N 2 2 255.362 0.047 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCO[C@@H](c2ccco2)C1 ZINC000653175116 412251946 /nfs/dbraw/zinc/25/19/46/412251946.db2.gz OGHUHQKLHFCZDX-WCQYABFASA-N 2 2 281.356 0.459 20 0 CCADLP CCNC(=O)CC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000653592073 412323063 /nfs/dbraw/zinc/32/30/63/412323063.db2.gz IFGOHXOPWPDYEU-NSHDSACASA-N 2 2 250.346 0.736 20 0 CCADLP CCNC(=O)CC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000653592073 412323065 /nfs/dbraw/zinc/32/30/65/412323065.db2.gz IFGOHXOPWPDYEU-NSHDSACASA-N 2 2 250.346 0.736 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C(F)F)C1 ZINC000653593581 412323089 /nfs/dbraw/zinc/32/30/89/412323089.db2.gz GKKLLNHQHYXPSQ-WDEREUQCSA-N 2 2 266.332 0.513 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C(F)F)C1 ZINC000653593581 412323092 /nfs/dbraw/zinc/32/30/92/412323092.db2.gz GKKLLNHQHYXPSQ-WDEREUQCSA-N 2 2 266.332 0.513 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000653593581 412323094 /nfs/dbraw/zinc/32/30/94/412323094.db2.gz GKKLLNHQHYXPSQ-WDEREUQCSA-N 2 2 266.332 0.513 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](C(F)F)C1 ZINC000653593581 412323096 /nfs/dbraw/zinc/32/30/96/412323096.db2.gz GKKLLNHQHYXPSQ-WDEREUQCSA-N 2 2 266.332 0.513 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC12CCOCC2 ZINC000653644001 412329118 /nfs/dbraw/zinc/32/91/18/412329118.db2.gz HDRSMLAKFPWHND-ZDUSSCGKSA-N 2 2 272.389 0.180 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC12CCOCC2 ZINC000653644001 412329121 /nfs/dbraw/zinc/32/91/21/412329121.db2.gz HDRSMLAKFPWHND-ZDUSSCGKSA-N 2 2 272.389 0.180 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC12CCOCC2 ZINC000653644001 412329122 /nfs/dbraw/zinc/32/91/22/412329122.db2.gz HDRSMLAKFPWHND-ZDUSSCGKSA-N 2 2 272.389 0.180 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC12CCOCC2 ZINC000653644001 412329126 /nfs/dbraw/zinc/32/91/26/412329126.db2.gz HDRSMLAKFPWHND-ZDUSSCGKSA-N 2 2 272.389 0.180 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C(N)=O)[C@@H](C)c1ccccc1 ZINC000653694915 412337652 /nfs/dbraw/zinc/33/76/52/412337652.db2.gz VWGCVPDYQCNCTE-NWANDNLSSA-N 2 2 293.411 0.546 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C(N)=O)[C@@H](C)c1ccccc1 ZINC000653694915 412337654 /nfs/dbraw/zinc/33/76/54/412337654.db2.gz VWGCVPDYQCNCTE-NWANDNLSSA-N 2 2 293.411 0.546 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+]([C@@H]2CCCOC2)CC1 ZINC000653727660 412339446 /nfs/dbraw/zinc/33/94/46/412339446.db2.gz PSGFMMHXVLIPSZ-CYBMUJFWSA-N 2 2 256.390 0.990 20 0 CCADLP COC[C@@H]1C[C@@H](O)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000653778609 412345300 /nfs/dbraw/zinc/34/53/00/412345300.db2.gz IIXANEKPVDEQHC-QWHCGFSZSA-N 2 2 253.346 0.434 20 0 CCADLP COC[C@@H]1C[C@@H](O)C[N@H+]1CCCc1c[nH+]cn1C ZINC000653778609 412345301 /nfs/dbraw/zinc/34/53/01/412345301.db2.gz IIXANEKPVDEQHC-QWHCGFSZSA-N 2 2 253.346 0.434 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cccc(-c2c[nH]nn2)c1 ZINC000653347657 412292962 /nfs/dbraw/zinc/29/29/62/412292962.db2.gz KASVTKJXTBTNNM-GFCCVEGCSA-N 2 2 288.355 0.689 20 0 CCADLP COCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CC(C)(C)C2)C1 ZINC000654748533 412435330 /nfs/dbraw/zinc/43/53/30/412435330.db2.gz GAJAOBQWIGGNIM-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP COCC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CC(C)(C)C2)C1 ZINC000654748533 412435332 /nfs/dbraw/zinc/43/53/32/412435332.db2.gz GAJAOBQWIGGNIM-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000654567413 412415097 /nfs/dbraw/zinc/41/50/97/412415097.db2.gz JYTQGQUGUOKLCO-UTUOFQBUSA-N 2 2 291.399 0.906 20 0 CCADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000654567413 412415100 /nfs/dbraw/zinc/41/51/00/412415100.db2.gz JYTQGQUGUOKLCO-UTUOFQBUSA-N 2 2 291.399 0.906 20 0 CCADLP CN(C(=O)C(C)(C)CO)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000654773570 412438370 /nfs/dbraw/zinc/43/83/70/412438370.db2.gz BNSCDLRAYFLODF-CQSZACIVSA-N 2 2 297.443 0.632 20 0 CCADLP CN(C(=O)C(C)(C)CO)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000654773570 412438371 /nfs/dbraw/zinc/43/83/71/412438371.db2.gz BNSCDLRAYFLODF-CQSZACIVSA-N 2 2 297.443 0.632 20 0 CCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CC(C)(C)C3)[C@@H]2C1 ZINC000654989113 412458450 /nfs/dbraw/zinc/45/84/50/412458450.db2.gz KTMVYJFUMMNOIK-CHWSQXEVSA-N 2 2 265.401 0.881 20 0 CCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CC(C)(C)C3)[C@@H]2C1 ZINC000654989113 412458452 /nfs/dbraw/zinc/45/84/52/412458452.db2.gz KTMVYJFUMMNOIK-CHWSQXEVSA-N 2 2 265.401 0.881 20 0 CCADLP [NH3+][C@@H]1CN(C(=O)NCc2ccn3cc[nH+]c3c2)CC[C@H]1F ZINC000659469994 413529995 /nfs/dbraw/zinc/52/99/95/413529995.db2.gz WZNORGPIISLECD-VXGBXAGGSA-N 2 2 291.330 0.915 20 0 CCADLP CO[C@H]1C[C@@H](CN(C)C(=O)CCn2cc[nH+]c2)[N@H+](C)C1 ZINC000285342727 196255579 /nfs/dbraw/zinc/25/55/79/196255579.db2.gz WLOBWRWCYKNWRN-STQMWFEESA-N 2 2 280.372 0.451 20 0 CCADLP CO[C@H]1C[C@@H](CN(C)C(=O)CCn2cc[nH+]c2)[N@@H+](C)C1 ZINC000285342727 196255580 /nfs/dbraw/zinc/25/55/80/196255580.db2.gz WLOBWRWCYKNWRN-STQMWFEESA-N 2 2 280.372 0.451 20 0 CCADLP COC[C@]1(CNC(=O)N[C@H](C)c2[nH+]ccn2C)CCC[NH2+]1 ZINC000659540495 413628661 /nfs/dbraw/zinc/62/86/61/413628661.db2.gz DRTJNJIPKNMEBH-BXUZGUMPSA-N 2 2 295.387 0.549 20 0 CCADLP C[C@@H](NC(=O)N(CC[NH+]1CCOCC1)CC1CC1)[C@H](C)[NH3+] ZINC000659548248 413636804 /nfs/dbraw/zinc/63/68/04/413636804.db2.gz HJMWWBXQRWHAAG-QWHCGFSZSA-N 2 2 298.431 0.476 20 0 CCADLP O=C(N[C@H]1CCC[NH2+]CC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659535518 413619253 /nfs/dbraw/zinc/61/92/53/413619253.db2.gz JTXCSCYEUHDYFO-UONOGXRCSA-N 2 2 296.415 0.245 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659614588 413706529 /nfs/dbraw/zinc/70/65/29/413706529.db2.gz NYYWZDNLFFQLCL-OPFPJEHXSA-N 2 2 296.415 0.101 20 0 CCADLP C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@@H](C)c2[nH+]ccn2C)CCO1 ZINC000659626337 413725653 /nfs/dbraw/zinc/72/56/53/413725653.db2.gz APKFUTOYQJQJHZ-GARJFASQSA-N 2 2 281.360 0.239 20 0 CCADLP C[C@H](NC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)c1[nH+]ccn1C ZINC000659627279 413726406 /nfs/dbraw/zinc/72/64/06/413726406.db2.gz GXZMMBVDCWCMSK-GARJFASQSA-N 2 2 265.361 0.860 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000659642689 413749312 /nfs/dbraw/zinc/74/93/12/413749312.db2.gz YMVLPVAKOWUBFY-SECBINFHSA-N 2 2 251.334 0.325 20 0 CCADLP O=C1C[C@@H](C[N@@H+]2CCC[C@H]2C[NH+]2CCCC2)CN1 ZINC000659871215 413928920 /nfs/dbraw/zinc/92/89/20/413928920.db2.gz PEGLZWUOOAPURY-OLZOCXBDSA-N 2 2 251.374 0.683 20 0 CCADLP O=C1C[C@@H](C[N@H+]2CCC[C@H]2C[NH+]2CCCC2)CN1 ZINC000659871215 413928925 /nfs/dbraw/zinc/92/89/25/413928925.db2.gz PEGLZWUOOAPURY-OLZOCXBDSA-N 2 2 251.374 0.683 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000659814241 413887951 /nfs/dbraw/zinc/88/79/51/413887951.db2.gz OWOQCUIFGHFORL-AWEZNQCLSA-N 2 2 285.432 0.488 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000659814241 413887958 /nfs/dbraw/zinc/88/79/58/413887958.db2.gz OWOQCUIFGHFORL-AWEZNQCLSA-N 2 2 285.432 0.488 20 0 CCADLP COCCOC1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000659933821 413986622 /nfs/dbraw/zinc/98/66/22/413986622.db2.gz GIPYUSARNOUEKJ-CQSZACIVSA-N 2 2 288.432 0.815 20 0 CCADLP COCCOC1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000659933821 413986630 /nfs/dbraw/zinc/98/66/30/413986630.db2.gz GIPYUSARNOUEKJ-CQSZACIVSA-N 2 2 288.432 0.815 20 0 CCADLP O=C([C@H]1CCC[NH2+]1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000037497484 173236603 /nfs/dbraw/zinc/23/66/03/173236603.db2.gz FBAPMAZOFDLVQE-CQSZACIVSA-N 2 2 274.368 0.478 20 0 CCADLP CCN1CC[C@H]([N@@H+](C)CCN(C)C2CC[NH+](C)CC2)C1=O ZINC000660139642 414143417 /nfs/dbraw/zinc/14/34/17/414143417.db2.gz XOIJIFBERFNVTQ-HNNXBMFYSA-N 2 2 296.459 0.565 20 0 CCADLP CCN1CC[C@H](N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1=O ZINC000660139642 414143425 /nfs/dbraw/zinc/14/34/25/414143425.db2.gz XOIJIFBERFNVTQ-HNNXBMFYSA-N 2 2 296.459 0.565 20 0 CCADLP CCN1CC[C@H](N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1=O ZINC000660139642 414143432 /nfs/dbraw/zinc/14/34/32/414143432.db2.gz XOIJIFBERFNVTQ-HNNXBMFYSA-N 2 2 296.459 0.565 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000660091126 414102790 /nfs/dbraw/zinc/10/27/90/414102790.db2.gz JSHPRGKWDLEYDC-WDEREUQCSA-N 2 2 259.394 0.177 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000660091126 414102792 /nfs/dbraw/zinc/10/27/92/414102792.db2.gz JSHPRGKWDLEYDC-WDEREUQCSA-N 2 2 259.394 0.177 20 0 CCADLP COCC1=CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)CC1 ZINC000660319098 414242499 /nfs/dbraw/zinc/24/24/99/414242499.db2.gz QMALJIDJRIXSLK-AWEZNQCLSA-N 2 2 256.390 0.966 20 0 CCADLP COCC1=CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)CC1 ZINC000660319098 414242505 /nfs/dbraw/zinc/24/25/05/414242505.db2.gz QMALJIDJRIXSLK-AWEZNQCLSA-N 2 2 256.390 0.966 20 0 CCADLP COCC1=CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000660319098 414242514 /nfs/dbraw/zinc/24/25/14/414242514.db2.gz QMALJIDJRIXSLK-AWEZNQCLSA-N 2 2 256.390 0.966 20 0 CCADLP COCC1=CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000660319098 414242518 /nfs/dbraw/zinc/24/25/18/414242518.db2.gz QMALJIDJRIXSLK-AWEZNQCLSA-N 2 2 256.390 0.966 20 0 CCADLP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC000660696126 414445636 /nfs/dbraw/zinc/44/56/36/414445636.db2.gz NAMHFOZCQMNPFB-ZDUSSCGKSA-N 2 2 283.416 0.338 20 0 CCADLP CC(C)C[NH2+]C1(CO)CCN(Cc2[nH+]ccn2C)CC1 ZINC000660696232 414445688 /nfs/dbraw/zinc/44/56/88/414445688.db2.gz ZWDUZPUAVGEQEB-UHFFFAOYSA-N 2 2 280.416 0.993 20 0 CCADLP COCC[N@H+](C)CCNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000660583359 414401265 /nfs/dbraw/zinc/40/12/65/414401265.db2.gz AOQUFKHFWHVXRZ-NSHDSACASA-N 2 2 283.376 0.359 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000660583359 414401267 /nfs/dbraw/zinc/40/12/67/414401267.db2.gz AOQUFKHFWHVXRZ-NSHDSACASA-N 2 2 283.376 0.359 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)CN1CCn2c[nH+]cc2C1 ZINC000660583161 414401639 /nfs/dbraw/zinc/40/16/39/414401639.db2.gz HDVYYWOQBSAEIS-ZDUSSCGKSA-N 2 2 252.362 0.400 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)CN1CCn2c[nH+]cc2C1 ZINC000660583161 414401642 /nfs/dbraw/zinc/40/16/42/414401642.db2.gz HDVYYWOQBSAEIS-ZDUSSCGKSA-N 2 2 252.362 0.400 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]2COC[C@@H]21 ZINC000660778434 414479647 /nfs/dbraw/zinc/47/96/47/414479647.db2.gz DJIBHNUMZXYSTP-RDBSUJKOSA-N 2 2 256.390 0.798 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]2COC[C@@H]21 ZINC000660778434 414479652 /nfs/dbraw/zinc/47/96/52/414479652.db2.gz DJIBHNUMZXYSTP-RDBSUJKOSA-N 2 2 256.390 0.798 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000660778434 414479654 /nfs/dbraw/zinc/47/96/54/414479654.db2.gz DJIBHNUMZXYSTP-RDBSUJKOSA-N 2 2 256.390 0.798 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000660778434 414479659 /nfs/dbraw/zinc/47/96/59/414479659.db2.gz DJIBHNUMZXYSTP-RDBSUJKOSA-N 2 2 256.390 0.798 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2CCOC[C@H]2C)C1 ZINC000660856409 414511291 /nfs/dbraw/zinc/51/12/91/414511291.db2.gz KIFTYEFQNPLRPM-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)NCC[NH+]2CCOC[C@H]2C)C1 ZINC000660856409 414511292 /nfs/dbraw/zinc/51/12/92/414511292.db2.gz KIFTYEFQNPLRPM-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[NH+]1CC[C@H](NC(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC000660856409 414511293 /nfs/dbraw/zinc/51/12/93/414511293.db2.gz KIFTYEFQNPLRPM-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[NH+]1CC[C@H](NC(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC000660856409 414511294 /nfs/dbraw/zinc/51/12/94/414511294.db2.gz KIFTYEFQNPLRPM-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](n2ccnn2)C1 ZINC000660880497 414521483 /nfs/dbraw/zinc/52/14/83/414521483.db2.gz DPEFOHVAXHUXPA-KBPBESRZSA-N 2 2 281.404 0.616 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](n2ccnn2)C1 ZINC000660880497 414521488 /nfs/dbraw/zinc/52/14/88/414521488.db2.gz DPEFOHVAXHUXPA-KBPBESRZSA-N 2 2 281.404 0.616 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000660880497 414521491 /nfs/dbraw/zinc/52/14/91/414521491.db2.gz DPEFOHVAXHUXPA-KBPBESRZSA-N 2 2 281.404 0.616 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000660880497 414521495 /nfs/dbraw/zinc/52/14/95/414521495.db2.gz DPEFOHVAXHUXPA-KBPBESRZSA-N 2 2 281.404 0.616 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1[C@H](C)CO ZINC000661440456 414627733 /nfs/dbraw/zinc/62/77/33/414627733.db2.gz HPCWMWVRISPSPA-QLFBSQMISA-N 2 2 288.432 0.408 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1[C@H](C)CO ZINC000661440456 414627736 /nfs/dbraw/zinc/62/77/36/414627736.db2.gz HPCWMWVRISPSPA-QLFBSQMISA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H](C)CO ZINC000661440456 414627738 /nfs/dbraw/zinc/62/77/38/414627738.db2.gz HPCWMWVRISPSPA-QLFBSQMISA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H](C)CO ZINC000661440456 414627741 /nfs/dbraw/zinc/62/77/41/414627741.db2.gz HPCWMWVRISPSPA-QLFBSQMISA-N 2 2 288.432 0.408 20 0 CCADLP c1cn(C[C@@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)nn1 ZINC000661145566 414564685 /nfs/dbraw/zinc/56/46/85/414564685.db2.gz MAVWJFOOSLCAAU-CYBMUJFWSA-N 2 2 260.345 0.887 20 0 CCADLP c1cn(C[C@@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)nn1 ZINC000661145566 414564687 /nfs/dbraw/zinc/56/46/87/414564687.db2.gz MAVWJFOOSLCAAU-CYBMUJFWSA-N 2 2 260.345 0.887 20 0 CCADLP C[C@H](NC(=O)NCC[N@@H+]1CCCOCC1)c1[nH+]ccn1C ZINC000661237843 414581238 /nfs/dbraw/zinc/58/12/38/414581238.db2.gz MWALZZZWVVMPPV-LBPRGKRZSA-N 2 2 295.387 0.503 20 0 CCADLP C[C@H](NC(=O)NCC[N@H+]1CCCOCC1)c1[nH+]ccn1C ZINC000661237843 414581240 /nfs/dbraw/zinc/58/12/40/414581240.db2.gz MWALZZZWVVMPPV-LBPRGKRZSA-N 2 2 295.387 0.503 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC2(CCC2)OC[C@H]1C ZINC000661464193 414629414 /nfs/dbraw/zinc/62/94/14/414629414.db2.gz ZQRLERVUEDZMOP-ZIAGYGMSSA-N 2 2 286.416 0.569 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC2(CCC2)OC[C@H]1C ZINC000661464193 414629419 /nfs/dbraw/zinc/62/94/19/414629419.db2.gz ZQRLERVUEDZMOP-ZIAGYGMSSA-N 2 2 286.416 0.569 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC2(CCC2)OC[C@H]1C ZINC000661464193 414629422 /nfs/dbraw/zinc/62/94/22/414629422.db2.gz ZQRLERVUEDZMOP-ZIAGYGMSSA-N 2 2 286.416 0.569 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC2(CCC2)OC[C@H]1C ZINC000661464193 414629425 /nfs/dbraw/zinc/62/94/25/414629425.db2.gz ZQRLERVUEDZMOP-ZIAGYGMSSA-N 2 2 286.416 0.569 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)CC1CC[NH2+]CC1 ZINC000038075160 174085337 /nfs/dbraw/zinc/08/53/37/174085337.db2.gz RTEFQMLALPZHTL-NSHDSACASA-N 2 2 250.346 0.778 20 0 CCADLP Cc1noc(C)c1C[NH+]1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC000662261295 414702178 /nfs/dbraw/zinc/70/21/78/414702178.db2.gz WTSJKXJWNXABOJ-CQSZACIVSA-N 2 2 294.399 0.397 20 0 CCADLP Cn1cc(C[C@@H]2CC[N@H+](C[C@H]3C[NH2+]CCO3)C2)cn1 ZINC000662262737 414702356 /nfs/dbraw/zinc/70/23/56/414702356.db2.gz JEDJAENPWBBZBK-GXTWGEPZSA-N 2 2 264.373 0.273 20 0 CCADLP Cn1cc(C[C@@H]2CC[N@@H+](C[C@H]3C[NH2+]CCO3)C2)cn1 ZINC000662262737 414702357 /nfs/dbraw/zinc/70/23/57/414702357.db2.gz JEDJAENPWBBZBK-GXTWGEPZSA-N 2 2 264.373 0.273 20 0 CCADLP CNS(=O)(=O)c1ccc(C[N@H+](C)[C@H](C[NH3+])C2CC2)cc1 ZINC000662274350 414704132 /nfs/dbraw/zinc/70/41/32/414704132.db2.gz WBPIDJTWHDEJDM-CQSZACIVSA-N 2 2 297.424 0.764 20 0 CCADLP CNS(=O)(=O)c1ccc(C[N@@H+](C)[C@H](C[NH3+])C2CC2)cc1 ZINC000662274350 414704133 /nfs/dbraw/zinc/70/41/33/414704133.db2.gz WBPIDJTWHDEJDM-CQSZACIVSA-N 2 2 297.424 0.764 20 0 CCADLP COc1ccc([C@H](C[NH3+])C[NH2+]C2(CO)CC[NH2+]CC2)cc1 ZINC000662282501 414705614 /nfs/dbraw/zinc/70/56/14/414705614.db2.gz AWHJMSCIFTVEMS-CQSZACIVSA-N 3 2 293.411 0.442 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](CCO[C@@H]2CC2(F)F)CCCO1 ZINC000662281275 414705669 /nfs/dbraw/zinc/70/56/69/414705669.db2.gz MAPUMAVVQCGQDB-VHSXEESVSA-N 2 2 250.289 0.460 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CCO[C@@H]2CC2(F)F)CCCO1 ZINC000662281275 414705670 /nfs/dbraw/zinc/70/56/70/414705670.db2.gz MAPUMAVVQCGQDB-VHSXEESVSA-N 2 2 250.289 0.460 20 0 CCADLP C[C@@H]1C[C@H](C)[N@H+](Cc2nc(N(C)C)no2)C[C@H]1C[NH3+] ZINC000662282199 414705902 /nfs/dbraw/zinc/70/59/02/414705902.db2.gz DIQINIOFFSDFSC-OUAUKWLOSA-N 2 2 267.377 0.941 20 0 CCADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2nc(N(C)C)no2)C[C@H]1C[NH3+] ZINC000662282199 414705903 /nfs/dbraw/zinc/70/59/03/414705903.db2.gz DIQINIOFFSDFSC-OUAUKWLOSA-N 2 2 267.377 0.941 20 0 CCADLP O=S(=O)(CC[NH2+]C1(CO)CC[NH2+]CC1)c1ccccc1 ZINC000662287197 414706890 /nfs/dbraw/zinc/70/68/90/414706890.db2.gz STMZROBHMJWSSK-UHFFFAOYSA-N 2 2 298.408 0.164 20 0 CCADLP Cn1nnnc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662292509 414707379 /nfs/dbraw/zinc/70/73/79/414707379.db2.gz NIHCDWYOZAIOGM-GFCCVEGCSA-N 2 2 264.377 0.422 20 0 CCADLP C[NH+](C)CCC[C@H]1C[N@H+](CC(=O)N2CCC2)CCO1 ZINC000662321831 414709852 /nfs/dbraw/zinc/70/98/52/414709852.db2.gz KBSCQACFJARZCS-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP C[NH+](C)CCC[C@H]1C[N@@H+](CC(=O)N2CCC2)CCO1 ZINC000662321831 414709853 /nfs/dbraw/zinc/70/98/53/414709853.db2.gz KBSCQACFJARZCS-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP C[NH+](C)CCC[C@H]1C[N@H+](CCN2C(=O)CCC2=O)CCO1 ZINC000662323903 414709913 /nfs/dbraw/zinc/70/99/13/414709913.db2.gz UESVLSUYEKGVDE-ZDUSSCGKSA-N 2 2 297.399 0.178 20 0 CCADLP C[NH+](C)CCC[C@H]1C[N@@H+](CCN2C(=O)CCC2=O)CCO1 ZINC000662323903 414709914 /nfs/dbraw/zinc/70/99/14/414709914.db2.gz UESVLSUYEKGVDE-ZDUSSCGKSA-N 2 2 297.399 0.178 20 0 CCADLP NC(=O)c1cccc2c1CC[N@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000662326776 414710090 /nfs/dbraw/zinc/71/00/90/414710090.db2.gz BVBYHCYNGPZTBG-LLVKDONJSA-N 2 2 259.353 0.753 20 0 CCADLP NC(=O)c1cccc2c1CC[N@@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000662326776 414710091 /nfs/dbraw/zinc/71/00/91/414710091.db2.gz BVBYHCYNGPZTBG-LLVKDONJSA-N 2 2 259.353 0.753 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662325985 414710097 /nfs/dbraw/zinc/71/00/97/414710097.db2.gz SAILUZQCWPNUEK-CVEARBPZSA-N 2 2 299.459 0.750 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@H](CN2CCCC2=O)C1)C1CC1 ZINC000662053331 414688983 /nfs/dbraw/zinc/68/89/83/414688983.db2.gz HSMWQJUYRLHZBR-ZFWWWQNUSA-N 2 2 295.427 0.386 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H](CN2CCCC2=O)C1)C1CC1 ZINC000662053331 414688984 /nfs/dbraw/zinc/68/89/84/414688984.db2.gz HSMWQJUYRLHZBR-ZFWWWQNUSA-N 2 2 295.427 0.386 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H](CN2CCCC2=O)C1)C1CC1 ZINC000662053331 414688985 /nfs/dbraw/zinc/68/89/85/414688985.db2.gz HSMWQJUYRLHZBR-ZFWWWQNUSA-N 2 2 295.427 0.386 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@H](CN2CCCC2=O)C1)C1CC1 ZINC000662053331 414688986 /nfs/dbraw/zinc/68/89/86/414688986.db2.gz HSMWQJUYRLHZBR-ZFWWWQNUSA-N 2 2 295.427 0.386 20 0 CCADLP O[C@H]1CC[N@@H+](C2CC[NH+](CCn3ccnc3)CC2)C1 ZINC000662152289 414693270 /nfs/dbraw/zinc/69/32/70/414693270.db2.gz CLCRQUUCVAFHRR-AWEZNQCLSA-N 2 2 264.373 0.414 20 0 CCADLP O[C@H]1CC[N@H+](C2CC[NH+](CCn3ccnc3)CC2)C1 ZINC000662152289 414693271 /nfs/dbraw/zinc/69/32/71/414693271.db2.gz CLCRQUUCVAFHRR-AWEZNQCLSA-N 2 2 264.373 0.414 20 0 CCADLP O[C@@H]1CC[N@@H+](C2CCN(Cc3c[nH+]c[nH]3)CC2)C1 ZINC000662152181 414693779 /nfs/dbraw/zinc/69/37/79/414693779.db2.gz QIFCWOQKMBHZNT-CYBMUJFWSA-N 2 2 250.346 0.441 20 0 CCADLP O[C@@H]1CC[N@H+](C2CCN(Cc3c[nH+]c[nH]3)CC2)C1 ZINC000662152181 414693780 /nfs/dbraw/zinc/69/37/80/414693780.db2.gz QIFCWOQKMBHZNT-CYBMUJFWSA-N 2 2 250.346 0.441 20 0 CCADLP C[C@H](CN1CCOCC1)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662153202 414694342 /nfs/dbraw/zinc/69/43/42/414694342.db2.gz PKQUQTBZHDXWNV-ZBFHGGJFSA-N 2 2 297.443 0.238 20 0 CCADLP C[C@H](CN1CCOCC1)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662153202 414694343 /nfs/dbraw/zinc/69/43/43/414694343.db2.gz PKQUQTBZHDXWNV-ZBFHGGJFSA-N 2 2 297.443 0.238 20 0 CCADLP C[C@](C[NH3+])([NH2+]Cc1coc(S(N)(=O)=O)c1)C1CC1 ZINC000662247317 414699130 /nfs/dbraw/zinc/69/91/30/414699130.db2.gz FRRKECHOOVYNNQ-LLVKDONJSA-N 2 2 273.358 0.144 20 0 CCADLP CC(C)(C)C(=O)N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662248426 414699486 /nfs/dbraw/zinc/69/94/86/414699486.db2.gz BBSJIFIEKINUOQ-CYBMUJFWSA-N 2 2 295.427 0.698 20 0 CCADLP CC(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662255097 414699898 /nfs/dbraw/zinc/69/98/98/414699898.db2.gz WMEFQOPQKBNSQJ-KBPBESRZSA-N 2 2 283.416 0.459 20 0 CCADLP CC(C)C(=O)NC[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662255097 414699899 /nfs/dbraw/zinc/69/98/99/414699899.db2.gz WMEFQOPQKBNSQJ-KBPBESRZSA-N 2 2 283.416 0.459 20 0 CCADLP Cc1nnc(C[N@H+](C)CCC(=O)N2CC[NH+](C)CC2)s1 ZINC000662256790 414700763 /nfs/dbraw/zinc/70/07/63/414700763.db2.gz OFWUKUUKZOCAIZ-UHFFFAOYSA-N 2 2 297.428 0.442 20 0 CCADLP Cc1nnc(C[N@@H+](C)CCC(=O)N2CC[NH+](C)CC2)s1 ZINC000662256790 414700764 /nfs/dbraw/zinc/70/07/64/414700764.db2.gz OFWUKUUKZOCAIZ-UHFFFAOYSA-N 2 2 297.428 0.442 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000662761348 414771452 /nfs/dbraw/zinc/77/14/52/414771452.db2.gz OQKXFLKKBZJLTR-XQQFMLRXSA-N 2 2 283.416 0.681 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000662356612 414711581 /nfs/dbraw/zinc/71/15/81/414711581.db2.gz PAYCHFIRFQESOF-CQSZACIVSA-N 2 2 276.384 0.724 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000662367817 414712189 /nfs/dbraw/zinc/71/21/89/414712189.db2.gz GUXAZVJPXRLORG-OLZOCXBDSA-N 2 2 271.405 0.457 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@@H]3CCC[C@@H]3[NH3+])CC2)cc[nH+]1 ZINC000662533879 414726149 /nfs/dbraw/zinc/72/61/49/414726149.db2.gz FWMVVQWJQCGYQN-OLZOCXBDSA-N 2 2 289.383 0.561 20 0 CCADLP COc1ccc(CN(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C)cn1 ZINC000662618871 414732986 /nfs/dbraw/zinc/73/29/86/414732986.db2.gz GVRFOUBCZVWMRI-LBPRGKRZSA-N 2 2 280.372 0.328 20 0 CCADLP [NH3+]CCOCC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000662622338 414733835 /nfs/dbraw/zinc/73/38/35/414733835.db2.gz BEKFZFBEOFCXNE-UHFFFAOYSA-N 2 2 278.356 0.273 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C1CC[NH2+]CC1 ZINC000662632024 414734750 /nfs/dbraw/zinc/73/47/50/414734750.db2.gz WQINIAYFIJNRSM-NEPJUHHUSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C1CC[NH2+]CC1 ZINC000662632024 414734751 /nfs/dbraw/zinc/73/47/51/414734751.db2.gz WQINIAYFIJNRSM-NEPJUHHUSA-N 2 2 269.389 0.211 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000662630397 414734782 /nfs/dbraw/zinc/73/47/82/414734782.db2.gz DHPXSOFZGOEHGA-AWEZNQCLSA-N 3 2 296.459 0.376 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000662630397 414734783 /nfs/dbraw/zinc/73/47/83/414734783.db2.gz DHPXSOFZGOEHGA-AWEZNQCLSA-N 3 2 296.459 0.376 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]([NH3+])c2ccccc2)[C@H](C)CO1 ZINC000662631590 414734926 /nfs/dbraw/zinc/73/49/26/414734926.db2.gz UCXWULXYKARYOH-UMVBOHGHSA-N 2 2 291.395 0.912 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]([NH3+])c2ccccc2)[C@H](C)CO1 ZINC000662631590 414734927 /nfs/dbraw/zinc/73/49/27/414734927.db2.gz UCXWULXYKARYOH-UMVBOHGHSA-N 2 2 291.395 0.912 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)CC[NH2+]1 ZINC000662631987 414735116 /nfs/dbraw/zinc/73/51/16/414735116.db2.gz VZDPSDYYTYSLQI-XUXIUFHCSA-N 2 2 283.416 0.600 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)CC[NH2+]1 ZINC000662631987 414735117 /nfs/dbraw/zinc/73/51/17/414735117.db2.gz VZDPSDYYTYSLQI-XUXIUFHCSA-N 2 2 283.416 0.600 20 0 CCADLP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662632331 414735412 /nfs/dbraw/zinc/73/54/12/414735412.db2.gz CBDXSDJQUXEFHK-UMSGYPCISA-N 2 2 269.389 0.210 20 0 CCADLP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662632331 414735413 /nfs/dbraw/zinc/73/54/13/414735413.db2.gz CBDXSDJQUXEFHK-UMSGYPCISA-N 2 2 269.389 0.210 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)CC(F)(F)C[NH3+])[C@@H](C)CO1 ZINC000662633354 414735416 /nfs/dbraw/zinc/73/54/16/414735416.db2.gz KEDDFRJZKDZUHZ-VHSXEESVSA-N 2 2 279.331 0.196 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)CC(F)(F)C[NH3+])[C@@H](C)CO1 ZINC000662633354 414735417 /nfs/dbraw/zinc/73/54/17/414735417.db2.gz KEDDFRJZKDZUHZ-VHSXEESVSA-N 2 2 279.331 0.196 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]([NH3+])C2CCC2)[C@@H](C)CO1 ZINC000662636485 414736263 /nfs/dbraw/zinc/73/62/63/414736263.db2.gz YUZLIDJXOCGPDX-LOWVWBTDSA-N 2 2 269.389 0.339 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]([NH3+])C2CCC2)[C@@H](C)CO1 ZINC000662636485 414736264 /nfs/dbraw/zinc/73/62/64/414736264.db2.gz YUZLIDJXOCGPDX-LOWVWBTDSA-N 2 2 269.389 0.339 20 0 CCADLP O=C([C@H]1CC12CC[NH2+]CC2)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662657343 414737988 /nfs/dbraw/zinc/73/79/88/414737988.db2.gz ZUGLMLYBFBEDHN-ZIAGYGMSSA-N 2 2 293.411 0.309 20 0 CCADLP C[NH2+]CCC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662706002 414743990 /nfs/dbraw/zinc/74/39/90/414743990.db2.gz SPAUCBWWAKYQAE-UHFFFAOYSA-N 2 2 269.389 0.167 20 0 CCADLP [NH3+][C@H]1C[C@H](C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000662712605 414745491 /nfs/dbraw/zinc/74/54/91/414745491.db2.gz GMFXQMWLBAEDOW-IHRRRGAJSA-N 2 2 281.400 0.437 20 0 CCADLP C[C@H](NC(=O)CC1([NH3+])CC1)[C@H](C)[NH+]1CCOCC1 ZINC000662721192 414746247 /nfs/dbraw/zinc/74/62/47/414746247.db2.gz RLGQTYWYZMEVMW-QWRGUYRKSA-N 2 2 255.362 0.093 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCCc1ccco1 ZINC000662734361 414748182 /nfs/dbraw/zinc/74/81/82/414748182.db2.gz FVVMSOCKEGOPKR-GFCCVEGCSA-N 2 2 253.346 0.607 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662798601 414802247 /nfs/dbraw/zinc/80/22/47/414802247.db2.gz DWZFEYIJQXQETD-RYUDHWBXSA-N 2 2 266.345 0.095 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)CC1([NH3+])CC1 ZINC000662860430 414853074 /nfs/dbraw/zinc/85/30/74/414853074.db2.gz RWOIIJQEDXOCJG-MNOVXSKESA-N 2 2 255.362 0.093 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)CC1([NH3+])CC1 ZINC000662860430 414853077 /nfs/dbraw/zinc/85/30/77/414853077.db2.gz RWOIIJQEDXOCJG-MNOVXSKESA-N 2 2 255.362 0.093 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H]1COc2cc(F)ccc2C1 ZINC000662876369 414862144 /nfs/dbraw/zinc/86/21/44/414862144.db2.gz XMVSDQWSWYYNAY-CHWSQXEVSA-N 2 2 295.358 0.524 20 0 CCADLP C[C@H](NC(=O)C[NH2+]C[C@@H]1CCCO1)c1[nH+]ccn1C ZINC000662935636 414905993 /nfs/dbraw/zinc/90/59/93/414905993.db2.gz WXXJJQWCZCADIE-QWRGUYRKSA-N 2 2 266.345 0.366 20 0 CCADLP OC1(CC[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)CCC1 ZINC000662891953 414873386 /nfs/dbraw/zinc/87/33/86/414873386.db2.gz ARPFMCDFPILURH-UHFFFAOYSA-N 2 2 264.373 0.832 20 0 CCADLP CN(C(=O)C(C)(C)[NH3+])[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900991 414879026 /nfs/dbraw/zinc/87/90/26/414879026.db2.gz RAFCWNCKJCBQMM-ZDUSSCGKSA-N 3 2 282.432 0.351 20 0 CCADLP CN(C(=O)C(C)(C)[NH3+])[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900991 414879029 /nfs/dbraw/zinc/87/90/29/414879029.db2.gz RAFCWNCKJCBQMM-ZDUSSCGKSA-N 3 2 282.432 0.351 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)c1cn(CCC[NH3+])nn1 ZINC000662900780 414879635 /nfs/dbraw/zinc/87/96/35/414879635.db2.gz AMVJUAVJEFTLMO-JTQLQIEISA-N 2 2 291.359 0.334 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000662900629 414879956 /nfs/dbraw/zinc/87/99/56/414879956.db2.gz RWEPZPIBYYTGTH-GHMZBOCLSA-N 2 2 266.345 0.459 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H]1CSC[NH2+]1 ZINC000662899239 414880875 /nfs/dbraw/zinc/88/08/75/414880875.db2.gz DUKGQPPCYWSJMW-BDAKNGLRSA-N 2 2 254.359 0.743 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000662932450 414900421 /nfs/dbraw/zinc/90/04/21/414900421.db2.gz BHDCAXWHVXPJON-VWYCJHECSA-N 2 2 250.346 0.985 20 0 CCADLP C[C@@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1[nH+]ccn1C ZINC000662934002 414902433 /nfs/dbraw/zinc/90/24/33/414902433.db2.gz LMXYGAXSHOPAFK-NXEZZACHSA-N 2 2 268.386 0.692 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663220903 415020017 /nfs/dbraw/zinc/02/00/17/415020017.db2.gz KPCBGIZUUSULTM-JQWIXIFHSA-N 2 2 251.334 0.323 20 0 CCADLP C[NH+]1CCN(C[C@H](O)C[NH2+]CC(F)(F)C(C)(C)C)CC1 ZINC000663379235 415054005 /nfs/dbraw/zinc/05/40/05/415054005.db2.gz SFWNJSBOFKSGDK-GFCCVEGCSA-N 2 2 293.402 0.866 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NCCC[NH+]1CCOCC1 ZINC000663404829 415059450 /nfs/dbraw/zinc/05/94/50/415059450.db2.gz MWPHIVVFVSOKCO-UHFFFAOYSA-N 2 2 281.360 0.273 20 0 CCADLP CCN(C(=O)NCC[NH+]1CCOC[C@@H]1C)[C@@H]1CC[N@H+](C)C1 ZINC000663992083 415197079 /nfs/dbraw/zinc/19/70/79/415197079.db2.gz VNYNYMCTLDXGNC-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP CCN(C(=O)NCC[NH+]1CCOC[C@@H]1C)[C@@H]1CC[N@@H+](C)C1 ZINC000663992083 415197083 /nfs/dbraw/zinc/19/70/83/415197083.db2.gz VNYNYMCTLDXGNC-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP CCN(C(=O)NCC[N@@H+]1CCOC[C@@H]1C)[C@@H]1CC[NH+](C)C1 ZINC000663992083 415197089 /nfs/dbraw/zinc/19/70/89/415197089.db2.gz VNYNYMCTLDXGNC-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP CCN(C(=O)NCC[N@H+]1CCOC[C@@H]1C)[C@@H]1CC[NH+](C)C1 ZINC000663992083 415197099 /nfs/dbraw/zinc/19/70/99/415197099.db2.gz VNYNYMCTLDXGNC-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H](CCNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)[NH+](C)C ZINC000664927079 415490782 /nfs/dbraw/zinc/49/07/82/415490782.db2.gz PGVLOUHXTQPRRX-MNOVXSKESA-N 2 2 279.388 0.906 20 0 CCADLP C[C@H](CCNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)[NH+](C)C ZINC000664927079 415490792 /nfs/dbraw/zinc/49/07/92/415490792.db2.gz PGVLOUHXTQPRRX-MNOVXSKESA-N 2 2 279.388 0.906 20 0 CCADLP O=C(Cc1cn2ccccc2[nH+]1)N1CCOC2(C[NH2+]C2)C1 ZINC000664724823 415457703 /nfs/dbraw/zinc/45/77/03/415457703.db2.gz MHDSBXASDTVFBJ-UHFFFAOYSA-N 2 2 286.335 0.078 20 0 CCADLP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1nnnn1-c1ccccc1 ZINC000665236193 415573638 /nfs/dbraw/zinc/57/36/38/415573638.db2.gz JFEBMKRENCVKMK-GHMZBOCLSA-N 2 2 260.345 0.878 20 0 CCADLP COC[C@H]([NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)C1CCOCC1 ZINC000665235902 415573738 /nfs/dbraw/zinc/57/37/38/415573738.db2.gz CAPZDKZJXBTPAY-YUELXQCFSA-N 2 2 286.416 0.785 20 0 CCADLP NC(=O)c1csc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000665273413 415584472 /nfs/dbraw/zinc/58/44/72/415584472.db2.gz WKXXSVNLDGYLEP-JGVFFNPUSA-N 2 2 254.359 0.602 20 0 CCADLP CCS(=O)(=O)C1(C[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)CC1 ZINC000665276051 415586353 /nfs/dbraw/zinc/58/63/53/415586353.db2.gz XNUBONYDONYOMB-RYUDHWBXSA-N 2 2 290.429 0.310 20 0 CCADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)C[NH2+]C)cc1 ZINC000665293873 415590339 /nfs/dbraw/zinc/59/03/39/415590339.db2.gz DUOHUZYWMMHGRP-MNOVXSKESA-N 2 2 285.413 0.853 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NCc2cccc(OC)c2)C1 ZINC000071145699 176042259 /nfs/dbraw/zinc/04/22/59/176042259.db2.gz PFTAQFYIXADGSZ-AWEZNQCLSA-N 2 2 291.395 0.853 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NCc2cccc(OC)c2)C1 ZINC000071145699 176042260 /nfs/dbraw/zinc/04/22/60/176042260.db2.gz PFTAQFYIXADGSZ-AWEZNQCLSA-N 2 2 291.395 0.853 20 0 CCADLP C[C@H]([NH3+])CN1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000442663637 298961452 /nfs/dbraw/zinc/96/14/52/298961452.db2.gz KDZNITYBYHQVFG-KBPBESRZSA-N 2 2 282.432 0.352 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000353532570 287316798 /nfs/dbraw/zinc/31/67/98/287316798.db2.gz VMAHGUOKOIUAQQ-RDBSUJKOSA-N 2 2 281.400 0.308 20 0 CCADLP Cc1cccc([C@@H](CNC(=O)[C@H](C)[NH3+])[NH+]2CCOCC2)c1 ZINC000195155927 292577767 /nfs/dbraw/zinc/57/77/67/292577767.db2.gz CYDVNBQTLPDOLC-DZGCQCFKSA-N 2 2 291.395 0.832 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC12CCOCC2)C1CC1 ZINC000685910486 545867384 /nfs/dbraw/zinc/86/73/84/545867384.db2.gz HJOVBWFXDXFAPD-ZDUSSCGKSA-N 2 2 254.374 0.696 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC12CCOCC2)C1CC1 ZINC000685910486 545867390 /nfs/dbraw/zinc/86/73/90/545867390.db2.gz HJOVBWFXDXFAPD-ZDUSSCGKSA-N 2 2 254.374 0.696 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCC12CCOCC2)C1CC1 ZINC000685910486 545867393 /nfs/dbraw/zinc/86/73/93/545867393.db2.gz HJOVBWFXDXFAPD-ZDUSSCGKSA-N 2 2 254.374 0.696 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCC12CCOCC2)C1CC1 ZINC000685910486 545867399 /nfs/dbraw/zinc/86/73/99/545867399.db2.gz HJOVBWFXDXFAPD-ZDUSSCGKSA-N 2 2 254.374 0.696 20 0 CCADLP C[C@H](NC(=O)C1([NH3+])CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000237549774 299031399 /nfs/dbraw/zinc/03/13/99/299031399.db2.gz VFIKGNNGXGOWHE-RYUDHWBXSA-N 2 2 269.389 0.483 20 0 CCADLP c1cc2n(n1)C[C@@H](C[N@@H+]1C[C@@H]3CCC[NH2+][C@@H]3C1)CN2 ZINC000684198313 545628507 /nfs/dbraw/zinc/62/85/07/545628507.db2.gz KRIABQWLDPASTG-FRRDWIJNSA-N 2 2 261.373 0.609 20 0 CCADLP c1cc2n(n1)C[C@@H](C[N@H+]1C[C@@H]3CCC[NH2+][C@@H]3C1)CN2 ZINC000684198313 545628508 /nfs/dbraw/zinc/62/85/08/545628508.db2.gz KRIABQWLDPASTG-FRRDWIJNSA-N 2 2 261.373 0.609 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccc(F)cc2)CC1 ZINC000020052393 544418839 /nfs/dbraw/zinc/41/88/39/544418839.db2.gz FPBIWSZMEZWTQL-UHFFFAOYSA-N 2 2 265.332 0.689 20 0 CCADLP c1ccc(N2CC[NH+](C[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000035811646 544421093 /nfs/dbraw/zinc/42/10/93/544421093.db2.gz HQOCXKVAKJBHST-OAHLLOKOSA-N 2 2 261.369 0.797 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]C[C@H]2CC=CCC2)CC1 ZINC000045630672 544432249 /nfs/dbraw/zinc/43/22/49/544432249.db2.gz ALCZKJFVSUYOGT-ZDUSSCGKSA-N 2 2 251.374 0.706 20 0 CCADLP O=C(NCCn1cc[nH+]c1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000087618566 544503558 /nfs/dbraw/zinc/50/35/58/544503558.db2.gz OETHXKLYRDVRAK-AWEZNQCLSA-N 2 2 270.336 0.886 20 0 CCADLP Nc1[nH+]cnc(NCC[N@@H+]2CC[C@@H](O)C2)c1Cl ZINC000624679425 419423914 /nfs/dbraw/zinc/42/39/14/419423914.db2.gz ISFNARKEVGOTNN-SSDOTTSWSA-N 2 2 257.725 0.191 20 0 CCADLP Nc1[nH+]cnc(NCC[N@H+]2CC[C@@H](O)C2)c1Cl ZINC000624679425 419423926 /nfs/dbraw/zinc/42/39/26/419423926.db2.gz ISFNARKEVGOTNN-SSDOTTSWSA-N 2 2 257.725 0.191 20 0 CCADLP C[C@@H](CNC(=O)C1([NH3+])CCCC1)Cn1cc[nH+]c1 ZINC000178721231 544747740 /nfs/dbraw/zinc/74/77/40/544747740.db2.gz HPBZIZOXJZPAFJ-NSHDSACASA-N 2 2 250.346 0.907 20 0 CCADLP CC[NH+](CC)CCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000220526081 544815314 /nfs/dbraw/zinc/81/53/14/544815314.db2.gz YBCYCRWAPZZDLJ-LLVKDONJSA-N 2 2 264.373 0.973 20 0 CCADLP CC[NH+](CC)CCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000220526081 544815317 /nfs/dbraw/zinc/81/53/17/544815317.db2.gz YBCYCRWAPZZDLJ-LLVKDONJSA-N 2 2 264.373 0.973 20 0 CCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000237025818 544890107 /nfs/dbraw/zinc/89/01/07/544890107.db2.gz WSLWKYGJYPLWIZ-UHFFFAOYSA-N 2 2 298.431 0.126 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000276499010 544954689 /nfs/dbraw/zinc/95/46/89/544954689.db2.gz WFDRROIFBCQRPF-UHFFFAOYSA-N 2 2 250.346 0.895 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000276499010 544954694 /nfs/dbraw/zinc/95/46/94/544954694.db2.gz WFDRROIFBCQRPF-UHFFFAOYSA-N 2 2 250.346 0.895 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000335320714 545048406 /nfs/dbraw/zinc/04/84/06/545048406.db2.gz UMYXOOCUXWLHEC-AWEZNQCLSA-N 2 2 262.357 0.875 20 0 CCADLP CC(C)(C)NC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000336440538 545050718 /nfs/dbraw/zinc/05/07/18/545050718.db2.gz UCOYZSRNJPPKGD-CQSZACIVSA-N 2 2 253.390 0.977 20 0 CCADLP CC(C)(C)NC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000336440538 545050719 /nfs/dbraw/zinc/05/07/19/545050719.db2.gz UCOYZSRNJPPKGD-CQSZACIVSA-N 2 2 253.390 0.977 20 0 CCADLP O=C1CC2(CN1)CC[NH+](CCCn1cc[nH+]c1)CC2 ZINC000343315364 545058270 /nfs/dbraw/zinc/05/82/70/545058270.db2.gz PONSDTPYKPRONW-UHFFFAOYSA-N 2 2 262.357 0.875 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@@](C)(O)C2)CC1 ZINC000185731945 262308263 /nfs/dbraw/zinc/30/82/63/262308263.db2.gz OPPDXJBLYZGHKP-OAHLLOKOSA-N 2 2 298.431 0.179 20 0 CCADLP CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001017440746 649854268 /nfs/dbraw/zinc/85/42/68/649854268.db2.gz JQSDLGXKUADJDK-XQQFMLRXSA-N 2 2 267.373 0.012 20 0 CCADLP CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001017440746 649854270 /nfs/dbraw/zinc/85/42/70/649854270.db2.gz JQSDLGXKUADJDK-XQQFMLRXSA-N 2 2 267.373 0.012 20 0 CCADLP CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001017440746 649854271 /nfs/dbraw/zinc/85/42/71/649854271.db2.gz JQSDLGXKUADJDK-XQQFMLRXSA-N 2 2 267.373 0.012 20 0 CCADLP CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001017440746 649854273 /nfs/dbraw/zinc/85/42/73/649854273.db2.gz JQSDLGXKUADJDK-XQQFMLRXSA-N 2 2 267.373 0.012 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)CN2CC[NH+](C)[C@H](C)[C@@H]2C)C[C@H](C)O1 ZINC000356996779 545078418 /nfs/dbraw/zinc/07/84/18/545078418.db2.gz HXKXFMAOXSNFHQ-LEOABGAYSA-N 2 2 299.459 0.481 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)CN2CC[NH+](C)[C@H](C)[C@@H]2C)C[C@H](C)O1 ZINC000356996779 545078419 /nfs/dbraw/zinc/07/84/19/545078419.db2.gz HXKXFMAOXSNFHQ-LEOABGAYSA-N 2 2 299.459 0.481 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN2CC[N@H+](C)[C@H](C)[C@@H]2C)C[C@H](C)O1 ZINC000356996779 545078421 /nfs/dbraw/zinc/07/84/21/545078421.db2.gz HXKXFMAOXSNFHQ-LEOABGAYSA-N 2 2 299.459 0.481 20 0 CCADLP O=C(N[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21)[C@H]1CCc2c[nH+]cn2C1 ZINC000960658181 649856991 /nfs/dbraw/zinc/85/69/91/649856991.db2.gz JLHPGHCRRKCWJR-SCUASFONSA-N 2 2 292.358 0.461 20 0 CCADLP O=C(N[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21)[C@H]1CCc2c[nH+]cn2C1 ZINC000960658181 649856992 /nfs/dbraw/zinc/85/69/92/649856992.db2.gz JLHPGHCRRKCWJR-SCUASFONSA-N 2 2 292.358 0.461 20 0 CCADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC000519149547 265337768 /nfs/dbraw/zinc/33/77/68/265337768.db2.gz BSXFFQXMAMGNDU-AWEZNQCLSA-N 2 2 291.399 0.192 20 0 CCADLP Cc1[nH+]c2c(n1Cc1nc(N)nc(N)[nH+]1)CCCC2 ZINC000519290130 265386407 /nfs/dbraw/zinc/38/64/07/265386407.db2.gz DBWMBKLAURVFPT-UHFFFAOYSA-N 2 2 259.317 0.129 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000519715109 265547212 /nfs/dbraw/zinc/54/72/12/265547212.db2.gz UHSDBLRRBRYSOT-SNVBAGLBSA-N 2 2 274.328 0.248 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CCNS(C)(=O)=O)C[C@H]1C ZINC000407949917 279398164 /nfs/dbraw/zinc/39/81/64/279398164.db2.gz WLYDNXNFCZGJOW-VXGBXAGGSA-N 2 2 277.434 0.340 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CCNS(C)(=O)=O)C[C@H]1C ZINC000407949917 279398165 /nfs/dbraw/zinc/39/81/65/279398165.db2.gz WLYDNXNFCZGJOW-VXGBXAGGSA-N 2 2 277.434 0.340 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CCNS(C)(=O)=O)C[C@H]1C ZINC000407949917 279398166 /nfs/dbraw/zinc/39/81/66/279398166.db2.gz WLYDNXNFCZGJOW-VXGBXAGGSA-N 2 2 277.434 0.340 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CCNS(C)(=O)=O)C[C@H]1C ZINC000407949917 279398167 /nfs/dbraw/zinc/39/81/67/279398167.db2.gz WLYDNXNFCZGJOW-VXGBXAGGSA-N 2 2 277.434 0.340 20 0 CCADLP C[C@@H](CO)[N@@H+]1CCCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000345044219 274228099 /nfs/dbraw/zinc/22/80/99/274228099.db2.gz MWQZLGBFNVPYOL-LBPRGKRZSA-N 2 2 279.388 0.436 20 0 CCADLP C[C@@H](CO)[N@H+]1CCCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000345044219 274228100 /nfs/dbraw/zinc/22/81/00/274228100.db2.gz MWQZLGBFNVPYOL-LBPRGKRZSA-N 2 2 279.388 0.436 20 0 CCADLP CC[NH+](CC)CCOCC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423030655 276327785 /nfs/dbraw/zinc/32/77/85/276327785.db2.gz CEHBAVWOLUMIJQ-KGLIPLIRSA-N 3 2 257.422 0.932 20 0 CCADLP CCO[C@H]1C[C@H]([NH2+]CC[NH2+]CCOC)C12CCOCC2 ZINC000423328681 276365434 /nfs/dbraw/zinc/36/54/34/276365434.db2.gz LCLSFFXAHWNJHV-KBPBESRZSA-N 2 2 286.416 0.786 20 0 CCADLP CCO[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000452021014 276467509 /nfs/dbraw/zinc/46/75/09/276467509.db2.gz NUARYSCWPUYYNL-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc[nH]3)C2)CC1 ZINC000369274576 277028081 /nfs/dbraw/zinc/02/80/81/277028081.db2.gz QIIKAEKWYGJHLK-GFCCVEGCSA-N 2 2 276.384 0.913 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc[nH]3)C2)CC1 ZINC000369274576 277028082 /nfs/dbraw/zinc/02/80/82/277028082.db2.gz QIIKAEKWYGJHLK-GFCCVEGCSA-N 2 2 276.384 0.913 20 0 CCADLP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000422755900 277039355 /nfs/dbraw/zinc/03/93/55/277039355.db2.gz BZWQVPNTALHQKB-UKRRQHHQSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000422755900 277039357 /nfs/dbraw/zinc/03/93/57/277039357.db2.gz BZWQVPNTALHQKB-UKRRQHHQSA-N 2 2 295.427 0.840 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000366534113 277061327 /nfs/dbraw/zinc/06/13/27/277061327.db2.gz JXKJCLKCWJFOSZ-CHWSQXEVSA-N 2 2 274.430 0.837 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000366534113 277061328 /nfs/dbraw/zinc/06/13/28/277061328.db2.gz JXKJCLKCWJFOSZ-CHWSQXEVSA-N 2 2 274.430 0.837 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000366534113 277061329 /nfs/dbraw/zinc/06/13/29/277061329.db2.gz JXKJCLKCWJFOSZ-CHWSQXEVSA-N 2 2 274.430 0.837 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000366534113 277061330 /nfs/dbraw/zinc/06/13/30/277061330.db2.gz JXKJCLKCWJFOSZ-CHWSQXEVSA-N 2 2 274.430 0.837 20 0 CCADLP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000332768611 277081220 /nfs/dbraw/zinc/08/12/20/277081220.db2.gz HVTJXAORSIUYFN-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000332768611 277081221 /nfs/dbraw/zinc/08/12/21/277081221.db2.gz HVTJXAORSIUYFN-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1)C(C)C ZINC000253193137 277099152 /nfs/dbraw/zinc/09/91/52/277099152.db2.gz OGILTDDQUSUCCU-UXIGCNINSA-N 2 2 283.416 0.633 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1)C(C)C ZINC000253193137 277099154 /nfs/dbraw/zinc/09/91/54/277099154.db2.gz OGILTDDQUSUCCU-UXIGCNINSA-N 2 2 283.416 0.633 20 0 CCADLP COC(=O)[C@](C)(O)C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000343957219 277142559 /nfs/dbraw/zinc/14/25/59/277142559.db2.gz IEVDNZZSVIIMKY-OAHLLOKOSA-N 2 2 298.383 0.957 20 0 CCADLP COC(=O)[C@](C)(O)C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000343957219 277142561 /nfs/dbraw/zinc/14/25/61/277142561.db2.gz IEVDNZZSVIIMKY-OAHLLOKOSA-N 2 2 298.383 0.957 20 0 CCADLP COC(=O)[C@](C)(O)C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000343957219 277142564 /nfs/dbraw/zinc/14/25/64/277142564.db2.gz IEVDNZZSVIIMKY-OAHLLOKOSA-N 2 2 298.383 0.957 20 0 CCADLP COC(=O)[C@](C)(O)C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000343957219 277142566 /nfs/dbraw/zinc/14/25/66/277142566.db2.gz IEVDNZZSVIIMKY-OAHLLOKOSA-N 2 2 298.383 0.957 20 0 CCADLP COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000249408577 277373338 /nfs/dbraw/zinc/37/33/38/277373338.db2.gz UUSIYDGUFOROPO-KBPBESRZSA-N 2 2 295.383 0.970 20 0 CCADLP COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000249408577 277373339 /nfs/dbraw/zinc/37/33/39/277373339.db2.gz UUSIYDGUFOROPO-KBPBESRZSA-N 2 2 295.383 0.970 20 0 CCADLP CC(C)[C@H](C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)[NH+](C)C ZINC000363708007 277862390 /nfs/dbraw/zinc/86/23/90/277862390.db2.gz IEHDXZQJMBRJLX-UONOGXRCSA-N 2 2 283.416 0.506 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)C1CCOCC1 ZINC000354336134 278258343 /nfs/dbraw/zinc/25/83/43/278258343.db2.gz WAUKKCPRWRDMTB-JSGCOSHPSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)C1CCOCC1 ZINC000354336134 278258344 /nfs/dbraw/zinc/25/83/44/278258344.db2.gz WAUKKCPRWRDMTB-JSGCOSHPSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@H](c1nnnn1C)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000248955663 278316798 /nfs/dbraw/zinc/31/67/98/278316798.db2.gz FUYUOUPGTPPPSR-NEPJUHHUSA-N 2 2 289.387 0.959 20 0 CCADLP C[C@H](c1nnnn1C)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000248955663 278316800 /nfs/dbraw/zinc/31/68/00/278316800.db2.gz FUYUOUPGTPPPSR-NEPJUHHUSA-N 2 2 289.387 0.959 20 0 CCADLP C[C@@H](NC(=O)NC[C@H](C)[NH+](C)C)[C@@H](C)[NH+]1CCOCC1 ZINC000454541957 278326082 /nfs/dbraw/zinc/32/60/82/278326082.db2.gz KVXJGJFROOMJDR-YNEHKIRRSA-N 2 2 286.420 0.345 20 0 CCADLP C[C@H]1CC[C@H]1[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000516456952 278384893 /nfs/dbraw/zinc/38/48/93/278384893.db2.gz WIHUWTVMCUVYBK-ODXJTPSBSA-N 2 2 256.390 0.845 20 0 CCADLP C[C@H]1CC[C@H]1[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000516456952 278384894 /nfs/dbraw/zinc/38/48/94/278384894.db2.gz WIHUWTVMCUVYBK-ODXJTPSBSA-N 2 2 256.390 0.845 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@]1(N2CCOCC2)CCSC1 ZINC000343696129 288091588 /nfs/dbraw/zinc/09/15/88/288091588.db2.gz RFRSVEBPQQNISX-ILXRZTDVSA-N 2 2 299.484 0.734 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@]1(N2CCOCC2)CCSC1 ZINC000343696129 288091590 /nfs/dbraw/zinc/09/15/90/288091590.db2.gz RFRSVEBPQQNISX-ILXRZTDVSA-N 2 2 299.484 0.734 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000356277799 288092952 /nfs/dbraw/zinc/09/29/52/288092952.db2.gz JXPKOASXMZNDMW-RFGFWPKPSA-N 2 2 254.374 0.864 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000356277799 288092954 /nfs/dbraw/zinc/09/29/54/288092954.db2.gz JXPKOASXMZNDMW-RFGFWPKPSA-N 2 2 254.374 0.864 20 0 CCADLP CC[NH+](CC)CCOCC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000349683507 279109262 /nfs/dbraw/zinc/10/92/62/279109262.db2.gz HPSDUNRXXGOWGR-KGLIPLIRSA-N 3 2 257.422 0.885 20 0 CCADLP CC[NH+](CC)CCOCC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000349683507 279109264 /nfs/dbraw/zinc/10/92/64/279109264.db2.gz HPSDUNRXXGOWGR-KGLIPLIRSA-N 3 2 257.422 0.885 20 0 CCADLP CC(C)C[C@H](CNC(=O)[C@H]1CCCC[NH2+]1)[NH+]1CCOCC1 ZINC000040824553 279160384 /nfs/dbraw/zinc/16/03/84/279160384.db2.gz WDRXGMULEUXRLO-HUUCEWRRSA-N 2 2 297.443 0.992 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342106134 279239154 /nfs/dbraw/zinc/23/91/54/279239154.db2.gz OXGIUAJTLYHHDA-XQHKEYJVSA-N 2 2 289.383 0.863 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342106134 279239158 /nfs/dbraw/zinc/23/91/58/279239158.db2.gz OXGIUAJTLYHHDA-XQHKEYJVSA-N 2 2 289.383 0.863 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000363901033 279276671 /nfs/dbraw/zinc/27/66/71/279276671.db2.gz SBQMHMOEGKWCGE-GJZGRUSLSA-N 2 2 295.427 0.794 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000363901033 279276674 /nfs/dbraw/zinc/27/66/74/279276674.db2.gz SBQMHMOEGKWCGE-GJZGRUSLSA-N 2 2 295.427 0.794 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CC[C@H](CO)O1 ZINC000340411187 288123818 /nfs/dbraw/zinc/12/38/18/288123818.db2.gz DNKGQXRGJAWHGT-CABNGKKXSA-N 2 2 254.374 0.599 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CC[C@H](CO)O1 ZINC000340411187 288123820 /nfs/dbraw/zinc/12/38/20/288123820.db2.gz DNKGQXRGJAWHGT-CABNGKKXSA-N 2 2 254.374 0.599 20 0 CCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc[nH+]c(N(C)C)n1 ZINC000343246177 279999661 /nfs/dbraw/zinc/99/96/61/279999661.db2.gz DEBOJFKIJYQYMQ-STQMWFEESA-N 2 2 291.399 0.842 20 0 CCADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000423931381 280117285 /nfs/dbraw/zinc/11/72/85/280117285.db2.gz MCACUMAXRMQHHV-YVECIDJPSA-N 2 2 269.389 0.291 20 0 CCADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000423931381 280117288 /nfs/dbraw/zinc/11/72/88/280117288.db2.gz MCACUMAXRMQHHV-YVECIDJPSA-N 2 2 269.389 0.291 20 0 CCADLP O=C1NC(=O)[C@]2(CCC[N@H+](CCC[NH+]3CCCCC3)C2)N1 ZINC000192647675 280280544 /nfs/dbraw/zinc/28/05/44/280280544.db2.gz PGYKVCSGJMPZQI-OAHLLOKOSA-N 2 2 294.399 0.536 20 0 CCADLP O=C1NC(=O)[C@]2(CCC[N@@H+](CCC[NH+]3CCCCC3)C2)N1 ZINC000192647675 280280545 /nfs/dbraw/zinc/28/05/45/280280545.db2.gz PGYKVCSGJMPZQI-OAHLLOKOSA-N 2 2 294.399 0.536 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000263178953 288347563 /nfs/dbraw/zinc/34/75/63/288347563.db2.gz GMNWYBNZRLCCDA-NFAWXSAZSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000263178953 288347564 /nfs/dbraw/zinc/34/75/64/288347564.db2.gz GMNWYBNZRLCCDA-NFAWXSAZSA-N 2 2 283.416 0.731 20 0 CCADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000353451958 288357798 /nfs/dbraw/zinc/35/77/98/288357798.db2.gz QCLZZTAWNNQCJB-CHWSQXEVSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449397622 288370812 /nfs/dbraw/zinc/37/08/12/288370812.db2.gz QZSYMHSUHHKKOO-HZSPNIEDSA-N 2 2 256.390 0.848 20 0 CCADLP C[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449397622 288370815 /nfs/dbraw/zinc/37/08/15/288370815.db2.gz QZSYMHSUHHKKOO-HZSPNIEDSA-N 2 2 256.390 0.848 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CCn1cc[nH+]c1 ZINC000287636036 288522052 /nfs/dbraw/zinc/52/20/52/288522052.db2.gz ZUQRTCXQSGRNML-ZIAGYGMSSA-N 2 2 292.383 0.595 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000375247631 289068284 /nfs/dbraw/zinc/06/82/84/289068284.db2.gz ARRAIWFSFBIDDB-HOCLYGCPSA-N 3 2 294.443 0.128 20 0 CCADLP C[C@H](C(=O)N(C)C)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000116399898 289244049 /nfs/dbraw/zinc/24/40/49/289244049.db2.gz CBMDAVRBYXWUQO-HUUCEWRRSA-N 2 2 296.459 0.565 20 0 CCADLP C[C@H](C(=O)N(C)C)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000116399898 289244052 /nfs/dbraw/zinc/24/40/52/289244052.db2.gz CBMDAVRBYXWUQO-HUUCEWRRSA-N 2 2 296.459 0.565 20 0 CCADLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)NC[C@@H]3CCCO3)C2)C1 ZINC000339433503 290004754 /nfs/dbraw/zinc/00/47/54/290004754.db2.gz KOCKUHMMNSUJSU-HOCLYGCPSA-N 2 2 295.427 0.699 20 0 CCADLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)NC[C@@H]3CCCO3)C2)C1 ZINC000339433503 290004756 /nfs/dbraw/zinc/00/47/56/290004756.db2.gz KOCKUHMMNSUJSU-HOCLYGCPSA-N 2 2 295.427 0.699 20 0 CCADLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)NC[C@@H]3CCCO3)C2)C1 ZINC000339433503 290004759 /nfs/dbraw/zinc/00/47/59/290004759.db2.gz KOCKUHMMNSUJSU-HOCLYGCPSA-N 2 2 295.427 0.699 20 0 CCADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)NC[C@@H]3CCCO3)C2)C1 ZINC000339433503 290004761 /nfs/dbraw/zinc/00/47/61/290004761.db2.gz KOCKUHMMNSUJSU-HOCLYGCPSA-N 2 2 295.427 0.699 20 0 CCADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]21 ZINC000328799372 290096994 /nfs/dbraw/zinc/09/69/94/290096994.db2.gz HEXCBQBLRUMYKE-ZIAGYGMSSA-N 2 2 286.335 0.489 20 0 CCADLP C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]21 ZINC000328799372 290096998 /nfs/dbraw/zinc/09/69/98/290096998.db2.gz HEXCBQBLRUMYKE-ZIAGYGMSSA-N 2 2 286.335 0.489 20 0 CCADLP C[N@@H+]1CC[C@H](NCC[NH+]2CCC(O)CC2)[C@H]2CCC[C@H]21 ZINC000453347176 290218218 /nfs/dbraw/zinc/21/82/18/290218218.db2.gz FJKMGOUMTAODKS-OWCLPIDISA-N 2 2 281.444 0.906 20 0 CCADLP C[N@H+]1CC[C@H](NCC[NH+]2CCC(O)CC2)[C@H]2CCC[C@H]21 ZINC000453347176 290218221 /nfs/dbraw/zinc/21/82/21/290218221.db2.gz FJKMGOUMTAODKS-OWCLPIDISA-N 2 2 281.444 0.906 20 0 CCADLP C[C@@H]1C[NH+](CC2CC[NH+](CC[NH3+])CC2)C[C@@H](C)O1 ZINC000262961602 296993740 /nfs/dbraw/zinc/99/37/40/296993740.db2.gz KTPPDPJCAAJQPP-CHWSQXEVSA-N 3 2 255.406 0.766 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[C@]3(CC[NH+](C)C3)C2)CCO1 ZINC000368351282 297004730 /nfs/dbraw/zinc/00/47/30/297004730.db2.gz DFNNPGFVUXJJOH-CABCVRRESA-N 2 2 267.417 0.735 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[C@]3(CC[NH+](C)C3)C2)CCO1 ZINC000368351282 297004731 /nfs/dbraw/zinc/00/47/31/297004731.db2.gz DFNNPGFVUXJJOH-CABCVRRESA-N 2 2 267.417 0.735 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[C@]3(CC[N@H+](C)C3)C2)CCO1 ZINC000368351282 297004732 /nfs/dbraw/zinc/00/47/32/297004732.db2.gz DFNNPGFVUXJJOH-CABCVRRESA-N 2 2 267.417 0.735 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[C@]3(CC[N@@H+](C)C3)C2)CCO1 ZINC000368351282 297004733 /nfs/dbraw/zinc/00/47/33/297004733.db2.gz DFNNPGFVUXJJOH-CABCVRRESA-N 2 2 267.417 0.735 20 0 CCADLP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)CCN1C1CC[NH+](C)CC1 ZINC000343762152 297071055 /nfs/dbraw/zinc/07/10/55/297071055.db2.gz KMYMZRIKNBHWPA-UKRRQHHQSA-N 2 2 294.443 0.317 20 0 CCADLP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)CCN1C1CC[NH+](C)CC1 ZINC000343762152 297071058 /nfs/dbraw/zinc/07/10/58/297071058.db2.gz KMYMZRIKNBHWPA-UKRRQHHQSA-N 2 2 294.443 0.317 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+]([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000336839872 294411855 /nfs/dbraw/zinc/41/18/55/294411855.db2.gz KWIAAXPTYJVUCZ-ZDUSSCGKSA-N 2 2 289.383 0.305 20 0 CCADLP COCC1(C[NH2+]C2CC[NH+](CC(=O)N(C)C)CC2)CCC1 ZINC000385636895 545085545 /nfs/dbraw/zinc/08/55/45/545085545.db2.gz UCTBDRDNBBESQR-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP C[C@H](C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000424013335 298074962 /nfs/dbraw/zinc/07/49/62/298074962.db2.gz KNYQPPJRCQKUOU-UPJWGTAASA-N 2 2 269.389 0.150 20 0 CCADLP C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCOCC1 ZINC000429634075 298085517 /nfs/dbraw/zinc/08/55/17/298085517.db2.gz JZNGZFVKOKLZAT-UPJWGTAASA-N 2 2 267.373 0.060 20 0 CCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357074703 298120505 /nfs/dbraw/zinc/12/05/05/298120505.db2.gz IKYYVFWOQGKSLJ-WOPDTQHZSA-N 2 2 296.415 0.541 20 0 CCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357074703 298120507 /nfs/dbraw/zinc/12/05/07/298120507.db2.gz IKYYVFWOQGKSLJ-WOPDTQHZSA-N 2 2 296.415 0.541 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246285507 298122985 /nfs/dbraw/zinc/12/29/85/298122985.db2.gz AIAXCRZNDWAPHS-MNOVXSKESA-N 2 2 282.388 0.247 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246285507 298122986 /nfs/dbraw/zinc/12/29/86/298122986.db2.gz AIAXCRZNDWAPHS-MNOVXSKESA-N 2 2 282.388 0.247 20 0 CCADLP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261589290 298129191 /nfs/dbraw/zinc/12/91/91/298129191.db2.gz WGHSHRHQWOEYRM-BXUZGUMPSA-N 2 2 253.390 0.975 20 0 CCADLP C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261589290 298129193 /nfs/dbraw/zinc/12/91/93/298129193.db2.gz WGHSHRHQWOEYRM-BXUZGUMPSA-N 2 2 253.390 0.975 20 0 CCADLP C[C@H](C[NH2+][C@H]1C[NH2+]CC[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000422720875 298793728 /nfs/dbraw/zinc/79/37/28/298793728.db2.gz UBEAHRONBTYIJZ-ILXRZTDVSA-N 3 2 268.449 0.458 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280689636 298929181 /nfs/dbraw/zinc/92/91/81/298929181.db2.gz AWSBVHWXUHHORE-YRGRVCCFSA-N 2 2 262.357 0.778 20 0 CCADLP C[N@H+]1CCN(Cc2cnn(C(C)(C)C)c2)[C@@H](C[NH3+])C1 ZINC000583693210 329003537 /nfs/dbraw/zinc/00/35/37/329003537.db2.gz FJVDKAWONRIYGZ-ZDUSSCGKSA-N 2 2 265.405 0.713 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000583489219 328303984 /nfs/dbraw/zinc/30/39/84/328303984.db2.gz FKCCTTKHHTUESS-AVGNSLFASA-N 2 2 268.405 0.849 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000583489219 328303986 /nfs/dbraw/zinc/30/39/86/328303986.db2.gz FKCCTTKHHTUESS-AVGNSLFASA-N 2 2 268.405 0.849 20 0 CCADLP C[C@H](CS(C)(=O)=O)[N@H+](C)CCCc1c[nH+]cn1C ZINC000584121791 327044441 /nfs/dbraw/zinc/04/44/41/327044441.db2.gz XXRHLRBCRIBLAL-LLVKDONJSA-N 2 2 273.402 0.718 20 0 CCADLP C[C@H](CS(C)(=O)=O)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000584121791 327044443 /nfs/dbraw/zinc/04/44/43/327044443.db2.gz XXRHLRBCRIBLAL-LLVKDONJSA-N 2 2 273.402 0.718 20 0 CCADLP Cn1ncc2c1nc(NC[C@H]1CCC[C@H]([NH3+])C1)[nH+]c2N ZINC000584163412 327054065 /nfs/dbraw/zinc/05/40/65/327054065.db2.gz ZXDXTLDDQSMPTN-IUCAKERBSA-N 2 2 275.360 0.297 20 0 CCADLP CC(C)OC[C@H](O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000566117572 327140279 /nfs/dbraw/zinc/14/02/79/327140279.db2.gz OOSXSTPXSQFFCM-GFCCVEGCSA-N 2 2 270.377 0.362 20 0 CCADLP O=C(NCCNc1cccc[nH+]1)[C@H]1CC12CC[NH2+]CC2 ZINC000566172035 327155160 /nfs/dbraw/zinc/15/51/60/327155160.db2.gz WIJVFTYMSWUWQJ-GFCCVEGCSA-N 2 2 274.368 0.999 20 0 CCADLP Cc1cc(C[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)ccn1 ZINC000583376803 327333475 /nfs/dbraw/zinc/33/34/75/327333475.db2.gz GXOKDEXNOTUVPS-DZKIICNBSA-N 2 2 293.411 0.950 20 0 CCADLP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000570171721 327573942 /nfs/dbraw/zinc/57/39/42/327573942.db2.gz JFUMZVMXMPQANL-RVMXOQNASA-N 2 2 254.374 0.502 20 0 CCADLP COCCNC(=O)[C@H](CC(C)C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000583641869 328725342 /nfs/dbraw/zinc/72/53/42/328725342.db2.gz GRHSTXCUKCBEON-AWEZNQCLSA-N 2 2 296.415 0.995 20 0 CCADLP C[N@@H+]1CCN(Cc2cnn(C(C)(C)C)c2)[C@@H](C[NH3+])C1 ZINC000583693210 329003536 /nfs/dbraw/zinc/00/35/36/329003536.db2.gz FJVDKAWONRIYGZ-ZDUSSCGKSA-N 2 2 265.405 0.713 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H](C)c1[nH]cc[nH+]1 ZINC000582454976 329029764 /nfs/dbraw/zinc/02/97/64/329029764.db2.gz YEECHFPDGZZYRQ-GHMZBOCLSA-N 2 2 266.345 0.555 20 0 CCADLP CCn1cc[nH+]c1CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000394108517 329100130 /nfs/dbraw/zinc/10/01/30/329100130.db2.gz ZRXGKAUKZFYWPK-ZDUSSCGKSA-N 2 2 263.389 0.383 20 0 CCADLP Cc1cccn2c(C[NH2+][C@@H]3CCC(=O)N(C)C3=O)c[nH+]c12 ZINC000582540770 329108967 /nfs/dbraw/zinc/10/89/67/329108967.db2.gz FYHBGZCOHJHZJQ-GFCCVEGCSA-N 2 2 286.335 0.880 20 0 CCADLP CC(C)[C@](C)(C[NH3+])[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000582606186 329115413 /nfs/dbraw/zinc/11/54/13/329115413.db2.gz CVQWCYSSBNTMBY-AWEZNQCLSA-N 3 2 270.421 0.114 20 0 CCADLP COc1ccnc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)n1 ZINC000582959339 329289720 /nfs/dbraw/zinc/28/97/20/329289720.db2.gz QWZQCDMOSBJNOQ-YNEHKIRRSA-N 2 2 292.383 0.732 20 0 CCADLP CC(C)[C@H](NC(=O)c1cn(CCC[NH3+])nn1)c1[nH]cc[nH+]1 ZINC000583320708 329450877 /nfs/dbraw/zinc/45/08/77/329450877.db2.gz JLMBNUDYAONUEA-NSHDSACASA-N 2 2 291.359 0.477 20 0 CCADLP C[C@H](O)C[NH+]1CCN(CCCc2c[nH+]cn2C)CC1 ZINC000580445593 330139363 /nfs/dbraw/zinc/13/93/63/330139363.db2.gz NKEFPKZNZAEKOG-ZDUSSCGKSA-N 2 2 266.389 0.351 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000575107694 330863207 /nfs/dbraw/zinc/86/32/07/330863207.db2.gz LOHCYKKAVXRXTC-WOPDTQHZSA-N 2 2 295.387 0.684 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCCC(F)(F)[C@H]1O)C1CC1 ZINC000576227448 335174095 /nfs/dbraw/zinc/17/40/95/335174095.db2.gz VNNZVGBEVURQNF-UTUOFQBUSA-N 2 2 278.343 0.580 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCCC(F)(F)[C@H]1O)C1CC1 ZINC000576227448 335174097 /nfs/dbraw/zinc/17/40/97/335174097.db2.gz VNNZVGBEVURQNF-UTUOFQBUSA-N 2 2 278.343 0.580 20 0 CCADLP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000576231299 335174976 /nfs/dbraw/zinc/17/49/76/335174976.db2.gz BTUFZORUVMHEHZ-NWDGAFQWSA-N 2 2 258.325 0.664 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000565421405 334561977 /nfs/dbraw/zinc/56/19/77/334561977.db2.gz XHARDRBDPOULMO-SDDRHHMPSA-N 2 2 272.393 0.132 20 0 CCADLP CO[C@@H]1CC[N@H+](CCOC[C@@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000576280413 335182116 /nfs/dbraw/zinc/18/21/16/335182116.db2.gz UWXKMZJBGHBORJ-MCIONIFRSA-N 2 2 272.389 0.620 20 0 CCADLP CO[C@@H]1CC[N@@H+](CCOC[C@@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000576280413 335182117 /nfs/dbraw/zinc/18/21/17/335182117.db2.gz UWXKMZJBGHBORJ-MCIONIFRSA-N 2 2 272.389 0.620 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C(C)C)C1CCOCC1 ZINC000576644231 335230100 /nfs/dbraw/zinc/23/01/00/335230100.db2.gz BMQRNXIUNMFHLA-OAHLLOKOSA-N 2 2 288.432 0.815 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C(C)C)C1CCOCC1 ZINC000576644231 335230102 /nfs/dbraw/zinc/23/01/02/335230102.db2.gz BMQRNXIUNMFHLA-OAHLLOKOSA-N 2 2 288.432 0.815 20 0 CCADLP C[C@@H]1CCCC[C@@H]1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000576847944 335255522 /nfs/dbraw/zinc/25/55/22/335255522.db2.gz JVJSTSUTHBMPMU-AGIUHOORSA-N 2 2 268.405 0.849 20 0 CCADLP C[C@@H]1CCCC[C@@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000576847944 335255523 /nfs/dbraw/zinc/25/55/23/335255523.db2.gz JVJSTSUTHBMPMU-AGIUHOORSA-N 2 2 268.405 0.849 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC ZINC000577173192 335315413 /nfs/dbraw/zinc/31/54/13/335315413.db2.gz ILAXFOLBDOMAPF-XUXIUFHCSA-N 2 2 284.400 0.573 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC ZINC000577173192 335315414 /nfs/dbraw/zinc/31/54/14/335315414.db2.gz ILAXFOLBDOMAPF-XUXIUFHCSA-N 2 2 284.400 0.573 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC ZINC000577173192 335315416 /nfs/dbraw/zinc/31/54/16/335315416.db2.gz ILAXFOLBDOMAPF-XUXIUFHCSA-N 2 2 284.400 0.573 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC ZINC000577173192 335315417 /nfs/dbraw/zinc/31/54/17/335315417.db2.gz ILAXFOLBDOMAPF-XUXIUFHCSA-N 2 2 284.400 0.573 20 0 CCADLP [NH3+]C[C@@H]1CN(C(=O)Nc2ccc3[nH+]ccn3c2)CCCO1 ZINC000577627816 335382065 /nfs/dbraw/zinc/38/20/65/335382065.db2.gz IQXUWQOFSCDYBQ-GFCCVEGCSA-N 2 2 289.339 0.916 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc(OCCO)cc1)C1CC1 ZINC000577633340 335383445 /nfs/dbraw/zinc/38/34/45/335383445.db2.gz GQVQUGTUCHPLDX-HNNXBMFYSA-N 2 2 294.395 0.602 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc(OCCO)cc1)C1CC1 ZINC000577633340 335383447 /nfs/dbraw/zinc/38/34/47/335383447.db2.gz GQVQUGTUCHPLDX-HNNXBMFYSA-N 2 2 294.395 0.602 20 0 CCADLP CS(=O)(=O)CCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000577730860 335393303 /nfs/dbraw/zinc/39/33/03/335393303.db2.gz YUUDVHHSJWKEBY-LBPRGKRZSA-N 2 2 260.403 0.497 20 0 CCADLP CS(=O)(=O)CCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000577730860 335393304 /nfs/dbraw/zinc/39/33/04/335393304.db2.gz YUUDVHHSJWKEBY-LBPRGKRZSA-N 2 2 260.403 0.497 20 0 CCADLP O=S1(=O)CCC(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000577752544 335397468 /nfs/dbraw/zinc/39/74/68/335397468.db2.gz BCGUMOURIMJSFW-AWEZNQCLSA-N 2 2 286.441 0.887 20 0 CCADLP O=S1(=O)CCC(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000577752544 335397469 /nfs/dbraw/zinc/39/74/69/335397469.db2.gz BCGUMOURIMJSFW-AWEZNQCLSA-N 2 2 286.441 0.887 20 0 CCADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000580890900 335980114 /nfs/dbraw/zinc/98/01/14/335980114.db2.gz FBSKRFYGYUDQLV-TXEJJXNPSA-N 2 2 298.350 0.629 20 0 CCADLP c1[nH]cc(C2CC[NH+](CCN3CC[NH2+]CC3)CC2)[nH+]1 ZINC000580896013 335981198 /nfs/dbraw/zinc/98/11/98/335981198.db2.gz QBYILJDIKVYVGP-UHFFFAOYSA-N 3 2 263.389 0.494 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](CO)c1ccccc1 ZINC000380608764 336007036 /nfs/dbraw/zinc/00/70/36/336007036.db2.gz GOZPFMSBVUHIPM-CABCVRRESA-N 2 2 282.384 0.249 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](CO)c1ccccc1 ZINC000380608764 336007037 /nfs/dbraw/zinc/00/70/37/336007037.db2.gz GOZPFMSBVUHIPM-CABCVRRESA-N 2 2 282.384 0.249 20 0 CCADLP COC[C@]1(C[NH2+]Cc2cnc(N)s2)CCC[NH2+]1 ZINC000581310736 336045595 /nfs/dbraw/zinc/04/55/95/336045595.db2.gz NDFFHMQRAADNQN-LLVKDONJSA-N 2 2 256.375 0.414 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1CC[NH+](C2CC2)C1)C1CC1 ZINC000382173655 336083728 /nfs/dbraw/zinc/08/37/28/336083728.db2.gz GCPGQEGURZJNOK-SWLSCSKDSA-N 3 2 267.417 0.515 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1CC[NH+](C2CC2)C1)C1CC1 ZINC000382173655 336083729 /nfs/dbraw/zinc/08/37/29/336083729.db2.gz GCPGQEGURZJNOK-SWLSCSKDSA-N 3 2 267.417 0.515 20 0 CCADLP C[NH+](C[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000382173655 336083730 /nfs/dbraw/zinc/08/37/30/336083730.db2.gz GCPGQEGURZJNOK-SWLSCSKDSA-N 3 2 267.417 0.515 20 0 CCADLP C[NH+](C[C@H](O)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000382173655 336083731 /nfs/dbraw/zinc/08/37/31/336083731.db2.gz GCPGQEGURZJNOK-SWLSCSKDSA-N 3 2 267.417 0.515 20 0 CCADLP C[C@@H]1CCC[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000383102382 336104188 /nfs/dbraw/zinc/10/41/88/336104188.db2.gz FSMIXKYNBCXLTK-UPJWGTAASA-N 2 2 253.390 0.914 20 0 CCADLP C[C@@H]1CCC[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000383102382 336104189 /nfs/dbraw/zinc/10/41/89/336104189.db2.gz FSMIXKYNBCXLTK-UPJWGTAASA-N 2 2 253.390 0.914 20 0 CCADLP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)S(C)(=O)=O ZINC000581742473 336141400 /nfs/dbraw/zinc/14/14/00/336141400.db2.gz BFOGTFFYGITRDB-DDHJBXDOSA-N 2 2 262.419 0.738 20 0 CCADLP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)S(C)(=O)=O ZINC000581742473 336141398 /nfs/dbraw/zinc/14/13/98/336141398.db2.gz BFOGTFFYGITRDB-DDHJBXDOSA-N 2 2 262.419 0.738 20 0 CCADLP C[C@@H](O)[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)CCO1 ZINC000581832619 336149497 /nfs/dbraw/zinc/14/94/97/336149497.db2.gz NYVDLCWTSXJPPR-YPMHNXCESA-N 2 2 253.346 0.434 20 0 CCADLP C[C@@H](O)[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)CCO1 ZINC000581832619 336149498 /nfs/dbraw/zinc/14/94/98/336149498.db2.gz NYVDLCWTSXJPPR-YPMHNXCESA-N 2 2 253.346 0.434 20 0 CCADLP C[C@@H](C[NH3+])NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000418622875 533796400 /nfs/dbraw/zinc/79/64/00/533796400.db2.gz VLGIPHHAAXFHKA-NSHDSACASA-N 2 2 282.413 0.923 20 0 CCADLP COC(=O)c1cc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)c[nH]1 ZINC000414930740 533829628 /nfs/dbraw/zinc/82/96/28/533829628.db2.gz PEOSVFCLSMZIFX-SKDRFNHKSA-N 2 2 251.330 0.889 20 0 CCADLP COc1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc2c1OCO2 ZINC000358175195 533887195 /nfs/dbraw/zinc/88/71/95/533887195.db2.gz ZQGFQBFDIBRMRE-OAHLLOKOSA-N 2 2 294.351 0.580 20 0 CCADLP COc1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc2c1OCO2 ZINC000358175195 533887200 /nfs/dbraw/zinc/88/72/00/533887200.db2.gz ZQGFQBFDIBRMRE-OAHLLOKOSA-N 2 2 294.351 0.580 20 0 CCADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc(C(N)=O)co1 ZINC000427856729 533895890 /nfs/dbraw/zinc/89/58/90/533895890.db2.gz XFBZIMVWSAXPIR-CABZTGNLSA-N 2 2 251.330 0.808 20 0 CCADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cc(C(N)=O)co1 ZINC000427856729 533895895 /nfs/dbraw/zinc/89/58/95/533895895.db2.gz XFBZIMVWSAXPIR-CABZTGNLSA-N 2 2 251.330 0.808 20 0 CCADLP Cc1cc(N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)nc(C)[nH+]1 ZINC000419006771 533914185 /nfs/dbraw/zinc/91/41/85/533914185.db2.gz QQTZKEIZABALBB-VXGBXAGGSA-N 2 2 264.373 0.985 20 0 CCADLP Cc1cc(N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)nc(C)[nH+]1 ZINC000419006771 533914190 /nfs/dbraw/zinc/91/41/90/533914190.db2.gz QQTZKEIZABALBB-VXGBXAGGSA-N 2 2 264.373 0.985 20 0 CCADLP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1c[nH+]cn1C ZINC000418106730 533957362 /nfs/dbraw/zinc/95/73/62/533957362.db2.gz CLONYNDLWGLTMB-RYUDHWBXSA-N 2 2 252.362 0.307 20 0 CCADLP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1c[nH+]cn1C ZINC000418106730 533957368 /nfs/dbraw/zinc/95/73/68/533957368.db2.gz CLONYNDLWGLTMB-RYUDHWBXSA-N 2 2 252.362 0.307 20 0 CCADLP C[C@H](O)C[N@H+](C)C1CC[NH+](C[C@H]2CN(C)C(=O)O2)CC1 ZINC000495656201 534069115 /nfs/dbraw/zinc/06/91/15/534069115.db2.gz YBAFSSZDERMJDK-WCQYABFASA-N 2 2 285.388 0.214 20 0 CCADLP C[C@H](O)C[N@@H+](C)C1CC[NH+](C[C@H]2CN(C)C(=O)O2)CC1 ZINC000495656201 534069123 /nfs/dbraw/zinc/06/91/23/534069123.db2.gz YBAFSSZDERMJDK-WCQYABFASA-N 2 2 285.388 0.214 20 0 CCADLP CCn1nncc1C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000459543856 535924082 /nfs/dbraw/zinc/92/40/82/535924082.db2.gz ZDUIXGANNWJDHK-UHFFFAOYSA-N 2 2 282.436 0.613 20 0 CCADLP CCn1nncc1C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000459543856 535924085 /nfs/dbraw/zinc/92/40/85/535924085.db2.gz ZDUIXGANNWJDHK-UHFFFAOYSA-N 2 2 282.436 0.613 20 0 CCADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424135795 534355962 /nfs/dbraw/zinc/35/59/62/534355962.db2.gz POHULYYEXMDWDR-YPMHNXCESA-N 2 2 278.356 0.283 20 0 CCADLP CC(C)(C)CCNC(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359278155 518648629 /nfs/dbraw/zinc/64/86/29/518648629.db2.gz NOOKYIFMRDRZRJ-VXGBXAGGSA-N 2 2 253.390 0.690 20 0 CCADLP O=C(NCC[C@H]1CCC[NH2+]1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000423584778 534426088 /nfs/dbraw/zinc/42/60/88/534426088.db2.gz QSTPAUKPIXUKCH-HIFRSBDPSA-N 2 2 295.427 0.888 20 0 CCADLP O=C(NCC[C@H]1CCC[NH2+]1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000423584778 534426097 /nfs/dbraw/zinc/42/60/97/534426097.db2.gz QSTPAUKPIXUKCH-HIFRSBDPSA-N 2 2 295.427 0.888 20 0 CCADLP CC[N@H+](C)CCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000049369766 520231014 /nfs/dbraw/zinc/23/10/14/520231014.db2.gz IZQAWDJNXKKVEI-NSHDSACASA-N 2 2 253.350 0.523 20 0 CCADLP CC[N@@H+](C)CCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000049369766 520231018 /nfs/dbraw/zinc/23/10/18/520231018.db2.gz IZQAWDJNXKKVEI-NSHDSACASA-N 2 2 253.350 0.523 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150750215 521676996 /nfs/dbraw/zinc/67/69/96/521676996.db2.gz UNYAXFBZOMJYNA-CYBMUJFWSA-N 2 2 289.445 0.343 20 0 CCADLP CCS(=O)(=O)NCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150750215 521676998 /nfs/dbraw/zinc/67/69/98/521676998.db2.gz UNYAXFBZOMJYNA-CYBMUJFWSA-N 2 2 289.445 0.343 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000155774334 521947523 /nfs/dbraw/zinc/94/75/23/521947523.db2.gz RFZXUARQJXQPBX-FQUUOJAGSA-N 2 2 283.416 0.539 20 0 CCADLP O=C([C@H]1COCC[NH2+]1)N1CC[NH+](C2CCCCC2)CC1 ZINC000423707434 534640919 /nfs/dbraw/zinc/64/09/19/534640919.db2.gz DRGXBTAXZVIWRV-CQSZACIVSA-N 2 2 281.400 0.452 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000353435436 523502755 /nfs/dbraw/zinc/50/27/55/523502755.db2.gz WIEODCDNGGOVRP-AWEZNQCLSA-N 2 2 290.367 0.825 20 0 CCADLP COCC[C@H](C)[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000531780688 545101957 /nfs/dbraw/zinc/10/19/57/545101957.db2.gz JMHQRJWOAAASIZ-LBPRGKRZSA-N 2 2 252.362 0.952 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000161716928 523798654 /nfs/dbraw/zinc/79/86/54/523798654.db2.gz ZXQGIRMJUMNDEM-INIZCTEOSA-N 3 2 291.443 0.985 20 0 CCADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000161716928 523798656 /nfs/dbraw/zinc/79/86/56/523798656.db2.gz ZXQGIRMJUMNDEM-INIZCTEOSA-N 3 2 291.443 0.985 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@@H](C)[C@H](C)[NH3+])CC2)cc[nH+]1 ZINC000423777237 534754822 /nfs/dbraw/zinc/75/48/22/534754822.db2.gz FTGCQEXTGIYAFT-QWRGUYRKSA-N 2 2 277.372 0.417 20 0 CCADLP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)C[C@]2(CCOC2)O1 ZINC000366581945 524963676 /nfs/dbraw/zinc/96/36/76/524963676.db2.gz BKFHQBNPBVJKTH-OLZOCXBDSA-N 2 2 251.330 0.763 20 0 CCADLP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@]2(CCOC2)O1 ZINC000366581945 524963688 /nfs/dbraw/zinc/96/36/88/524963688.db2.gz BKFHQBNPBVJKTH-OLZOCXBDSA-N 2 2 251.330 0.763 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H](CO)O2)C[N@H+]1C1CC1 ZINC000340409415 525439764 /nfs/dbraw/zinc/43/97/64/525439764.db2.gz AGPHMOGEXLPVJD-WVWOOGAGSA-N 2 2 254.374 0.741 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H](CO)O2)C[N@@H+]1C1CC1 ZINC000340409415 525439757 /nfs/dbraw/zinc/43/97/57/525439757.db2.gz AGPHMOGEXLPVJD-WVWOOGAGSA-N 2 2 254.374 0.741 20 0 CCADLP c1nc(N2CC[NH+]([C@@H]3CCOC3)CC2)cc(NC2CC2)[nH+]1 ZINC000665707780 545104281 /nfs/dbraw/zinc/10/42/81/545104281.db2.gz PIEDTBIUDRQRDS-CYBMUJFWSA-N 2 2 289.383 0.962 20 0 CCADLP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCCc1[nH]cc[nH+]1 ZINC000157262357 526374177 /nfs/dbraw/zinc/37/41/77/526374177.db2.gz BOFWWDCSKIZJLJ-YOGCLGLASA-N 2 2 262.357 0.989 20 0 CCADLP C[NH2+]CC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000237231577 536440741 /nfs/dbraw/zinc/44/07/41/536440741.db2.gz AUKHTCKARBJUDU-LLVKDONJSA-N 2 2 271.311 0.903 20 0 CCADLP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000366557364 526559047 /nfs/dbraw/zinc/55/90/47/526559047.db2.gz SBJPRGZVHVVSFO-RYUDHWBXSA-N 2 2 289.314 0.697 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)NC1CC1 ZINC000150827704 526798490 /nfs/dbraw/zinc/79/84/90/526798490.db2.gz DOKBXMQGVYARLB-LBPRGKRZSA-N 2 2 251.374 0.683 20 0 CCADLP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)NC1CC1 ZINC000150827704 526798496 /nfs/dbraw/zinc/79/84/96/526798496.db2.gz DOKBXMQGVYARLB-LBPRGKRZSA-N 2 2 251.374 0.683 20 0 CCADLP Cc1cn2cc(NC(=O)NCC3C[NH2+]C3)ccc2[nH+]1 ZINC000667041150 545137593 /nfs/dbraw/zinc/13/75/93/545137593.db2.gz JZTNOGPQIZHZCR-UHFFFAOYSA-N 2 2 259.313 0.984 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000667152318 545139620 /nfs/dbraw/zinc/13/96/20/545139620.db2.gz JZQXSKKPRBYXKM-UHFFFAOYSA-N 2 2 291.359 0.832 20 0 CCADLP [NH3+]C[C@@H](C(=O)NCCc1[nH]cc[nH+]1)c1ccccc1 ZINC000157255405 527200679 /nfs/dbraw/zinc/20/06/79/527200679.db2.gz LCPCXFJBCKEACS-GFCCVEGCSA-N 2 2 258.325 0.811 20 0 CCADLP Cc1c(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)nnn1C ZINC000667255201 545142621 /nfs/dbraw/zinc/14/26/21/545142621.db2.gz KEBMWMUCIFMSMF-UHFFFAOYSA-N 2 2 297.407 0.129 20 0 CCADLP Cc1c(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)nnn1C ZINC000667255201 545142622 /nfs/dbraw/zinc/14/26/22/545142622.db2.gz KEBMWMUCIFMSMF-UHFFFAOYSA-N 2 2 297.407 0.129 20 0 CCADLP COCC[N@H+](CCO)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667590143 545150332 /nfs/dbraw/zinc/15/03/32/545150332.db2.gz MVMWYXHRUYQIHY-UHFFFAOYSA-N 2 2 276.340 0.708 20 0 CCADLP COCC[N@@H+](CCO)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667590143 545150333 /nfs/dbraw/zinc/15/03/33/545150333.db2.gz MVMWYXHRUYQIHY-UHFFFAOYSA-N 2 2 276.340 0.708 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(Cc2c[nH+]c(C)n2C)CC1 ZINC000667676154 545153430 /nfs/dbraw/zinc/15/34/30/545153430.db2.gz HRONEGOKPRTVPU-CYBMUJFWSA-N 2 2 266.389 0.617 20 0 CCADLP Cc1[nH+]cc(C[NH+]2CCC(OCCO)CC2)n1C ZINC000667688356 545153793 /nfs/dbraw/zinc/15/37/93/545153793.db2.gz OQULSMLNXUMFSX-UHFFFAOYSA-N 2 2 253.346 0.702 20 0 CCADLP Cc1[nH+]cc(CN2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)n1C ZINC000668094012 545163551 /nfs/dbraw/zinc/16/35/51/545163551.db2.gz ZYMLYWQOYQTQDD-RYUDHWBXSA-N 2 2 266.389 0.615 20 0 CCADLP Cc1[nH+]cc(CN2CC[N@H+](C[C@H](C)O)C[C@@H]2C)n1C ZINC000668094012 545163552 /nfs/dbraw/zinc/16/35/52/545163552.db2.gz ZYMLYWQOYQTQDD-RYUDHWBXSA-N 2 2 266.389 0.615 20 0 CCADLP Cc1[nH+]cc(C[N@@H+](C)[C@@H](CO)COC(C)C)n1C ZINC000668171984 545165964 /nfs/dbraw/zinc/16/59/64/545165964.db2.gz ANHSEJCHUGEONF-ZDUSSCGKSA-N 2 2 255.362 0.946 20 0 CCADLP Cc1[nH+]cc(C[N@H+](C)[C@@H](CO)COC(C)C)n1C ZINC000668171984 545165965 /nfs/dbraw/zinc/16/59/65/545165965.db2.gz ANHSEJCHUGEONF-ZDUSSCGKSA-N 2 2 255.362 0.946 20 0 CCADLP OC[C@]1(O)CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668234755 545168807 /nfs/dbraw/zinc/16/88/07/545168807.db2.gz SYRMFIMESWDSTI-HNNXBMFYSA-N 2 2 288.351 0.587 20 0 CCADLP OC[C@]1(O)CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668234755 545168808 /nfs/dbraw/zinc/16/88/08/545168808.db2.gz SYRMFIMESWDSTI-HNNXBMFYSA-N 2 2 288.351 0.587 20 0 CCADLP CN(C)C(=O)[C@@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668238086 545168976 /nfs/dbraw/zinc/16/89/76/545168976.db2.gz GVIIJDVCJGEJMP-LLVKDONJSA-N 2 2 262.357 0.739 20 0 CCADLP CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668238086 545168977 /nfs/dbraw/zinc/16/89/77/545168977.db2.gz GVIIJDVCJGEJMP-LLVKDONJSA-N 2 2 262.357 0.739 20 0 CCADLP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1Cc1c[nH+]c2n1CCC2 ZINC000668275016 545170533 /nfs/dbraw/zinc/17/05/33/545170533.db2.gz QGKSZAHQGYFVEC-GFCCVEGCSA-N 2 2 291.399 0.381 20 0 CCADLP c1cc(C[N@@H+]2CCn3nncc3C2)n(-c2cc[nH+]cc2)n1 ZINC000668295253 545171716 /nfs/dbraw/zinc/17/17/16/545171716.db2.gz NHCRTFMZJVFQLZ-UHFFFAOYSA-N 2 2 281.323 0.875 20 0 CCADLP c1cc(C[N@H+]2CCn3nncc3C2)n(-c2cc[nH+]cc2)n1 ZINC000668295253 545171717 /nfs/dbraw/zinc/17/17/17/545171717.db2.gz NHCRTFMZJVFQLZ-UHFFFAOYSA-N 2 2 281.323 0.875 20 0 CCADLP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000668462463 545178536 /nfs/dbraw/zinc/17/85/36/545178536.db2.gz PBVZETASTRHSDP-NWDGAFQWSA-N 2 2 276.384 0.973 20 0 CCADLP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000668462463 545178537 /nfs/dbraw/zinc/17/85/37/545178537.db2.gz PBVZETASTRHSDP-NWDGAFQWSA-N 2 2 276.384 0.973 20 0 CCADLP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000668462463 545178538 /nfs/dbraw/zinc/17/85/38/545178538.db2.gz PBVZETASTRHSDP-NWDGAFQWSA-N 2 2 276.384 0.973 20 0 CCADLP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000668462463 545178539 /nfs/dbraw/zinc/17/85/39/545178539.db2.gz PBVZETASTRHSDP-NWDGAFQWSA-N 2 2 276.384 0.973 20 0 CCADLP C[C@@H]1C[NH+](Cc2c[nH+]c(N(C)C)n2C)C[C@@H](C)C1O ZINC000668553715 545181564 /nfs/dbraw/zinc/18/15/64/545181564.db2.gz HFTNWOZMHNRNOU-GHMZBOCLSA-N 2 2 266.389 0.935 20 0 CCADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CNc3ccnn3C2)C1 ZINC000668681404 545187051 /nfs/dbraw/zinc/18/70/51/545187051.db2.gz JZKFOJQTGPCOMV-STQMWFEESA-N 2 2 263.389 0.999 20 0 CCADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CNc3ccnn3C2)C1 ZINC000668681404 545187052 /nfs/dbraw/zinc/18/70/52/545187052.db2.gz JZKFOJQTGPCOMV-STQMWFEESA-N 2 2 263.389 0.999 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000668691014 545187707 /nfs/dbraw/zinc/18/77/07/545187707.db2.gz CCTOAJWIJPJTLF-MNOVXSKESA-N 2 2 264.373 0.971 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000668691014 545187708 /nfs/dbraw/zinc/18/77/08/545187708.db2.gz CCTOAJWIJPJTLF-MNOVXSKESA-N 2 2 264.373 0.971 20 0 CCADLP CN(C(=O)[C@H](O)C1CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668618695 545184184 /nfs/dbraw/zinc/18/41/84/545184184.db2.gz SWYHZLKTGDTULJ-HUUCEWRRSA-N 2 2 295.427 0.384 20 0 CCADLP CN(C(=O)[C@H](O)C1CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668618695 545184185 /nfs/dbraw/zinc/18/41/85/545184185.db2.gz SWYHZLKTGDTULJ-HUUCEWRRSA-N 2 2 295.427 0.384 20 0 CCADLP Cc1cc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])ccc1F ZINC000668939510 545195706 /nfs/dbraw/zinc/19/57/06/545195706.db2.gz RYUKGVOEPMOYAA-ZDUSSCGKSA-N 2 2 294.374 0.918 20 0 CCADLP Cc1cc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])ccc1F ZINC000668939510 545195707 /nfs/dbraw/zinc/19/57/07/545195707.db2.gz RYUKGVOEPMOYAA-ZDUSSCGKSA-N 2 2 294.374 0.918 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC000412873327 527872020 /nfs/dbraw/zinc/87/20/20/527872020.db2.gz HNBWIJFUJPDWGA-ZFWWWQNUSA-N 2 2 295.427 0.840 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC000412873327 527872024 /nfs/dbraw/zinc/87/20/24/527872024.db2.gz HNBWIJFUJPDWGA-ZFWWWQNUSA-N 2 2 295.427 0.840 20 0 CCADLP CC[NH+]1CC[C@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000412873327 527872029 /nfs/dbraw/zinc/87/20/29/527872029.db2.gz HNBWIJFUJPDWGA-ZFWWWQNUSA-N 2 2 295.427 0.840 20 0 CCADLP CC[NH+]1CC[C@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000412873327 527872033 /nfs/dbraw/zinc/87/20/33/527872033.db2.gz HNBWIJFUJPDWGA-ZFWWWQNUSA-N 2 2 295.427 0.840 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]C[C@H](O)C2CCOCC2)[C@@H](C)C1 ZINC000358170910 527991080 /nfs/dbraw/zinc/99/10/80/527991080.db2.gz QZVBROJQEBVHEX-UBHSHLNASA-N 2 2 256.390 0.704 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]C[C@H](O)C2CCOCC2)[C@@H](C)C1 ZINC000358170910 527991082 /nfs/dbraw/zinc/99/10/82/527991082.db2.gz QZVBROJQEBVHEX-UBHSHLNASA-N 2 2 256.390 0.704 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669461680 545208925 /nfs/dbraw/zinc/20/89/25/545208925.db2.gz OECVZWFJVXEMFL-RDBSUJKOSA-N 2 2 296.415 0.101 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669461680 545208926 /nfs/dbraw/zinc/20/89/26/545208926.db2.gz OECVZWFJVXEMFL-RDBSUJKOSA-N 2 2 296.415 0.101 20 0 CCADLP CC(C)c1cc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])on1 ZINC000669482270 545209416 /nfs/dbraw/zinc/20/94/16/545209416.db2.gz HIDCQKHHANNOFD-NSHDSACASA-N 2 2 295.387 0.582 20 0 CCADLP CC(C)c1cc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])on1 ZINC000669482270 545209417 /nfs/dbraw/zinc/20/94/17/545209417.db2.gz HIDCQKHHANNOFD-NSHDSACASA-N 2 2 295.387 0.582 20 0 CCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000669529814 545212985 /nfs/dbraw/zinc/21/29/85/545212985.db2.gz DAGSEIMFUPKYAW-ZIAGYGMSSA-N 3 2 297.447 0.145 20 0 CCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000669529814 545212986 /nfs/dbraw/zinc/21/29/86/545212986.db2.gz DAGSEIMFUPKYAW-ZIAGYGMSSA-N 3 2 297.447 0.145 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000423685069 528475714 /nfs/dbraw/zinc/47/57/14/528475714.db2.gz IKURTJPYTOBTLD-RBSFLKMASA-N 2 2 295.427 0.698 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000423685069 528475715 /nfs/dbraw/zinc/47/57/15/528475715.db2.gz IKURTJPYTOBTLD-RBSFLKMASA-N 2 2 295.427 0.698 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000418416070 528517255 /nfs/dbraw/zinc/51/72/55/528517255.db2.gz VITVNSNVGYFURM-OLZOCXBDSA-N 2 2 286.420 0.332 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)N1CC[N@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000423896439 528536287 /nfs/dbraw/zinc/53/62/87/528536287.db2.gz NZEIQASNSPDRMK-STQMWFEESA-N 2 2 299.415 0.470 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)N1CC[N@@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000423896439 528536290 /nfs/dbraw/zinc/53/62/90/528536290.db2.gz NZEIQASNSPDRMK-STQMWFEESA-N 2 2 299.415 0.470 20 0 CCADLP O=C(C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)N1CCC1 ZINC000670985868 545241030 /nfs/dbraw/zinc/24/10/30/545241030.db2.gz LBGXGRFYCVOGET-AWEZNQCLSA-N 2 2 281.400 0.405 20 0 CCADLP O=C(C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)N1CCC1 ZINC000670985868 545241031 /nfs/dbraw/zinc/24/10/31/545241031.db2.gz LBGXGRFYCVOGET-AWEZNQCLSA-N 2 2 281.400 0.405 20 0 CCADLP CN(C)S(=O)(=O)CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000671683557 545257748 /nfs/dbraw/zinc/25/77/48/545257748.db2.gz UGEVKYGJIARMQL-UHFFFAOYSA-N 2 2 298.412 0.095 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]Cc2nnc3n2CCOC3)[C@H]2CCC[C@H]21 ZINC000671762274 545259662 /nfs/dbraw/zinc/25/96/62/545259662.db2.gz RQIVUZTZQMPUQE-FRRDWIJNSA-N 2 2 291.399 0.771 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]Cc2nnc3n2CCOC3)[C@H]2CCC[C@H]21 ZINC000671762274 545259663 /nfs/dbraw/zinc/25/96/63/545259663.db2.gz RQIVUZTZQMPUQE-FRRDWIJNSA-N 2 2 291.399 0.771 20 0 CCADLP CCCC[C@@H]([NH3+])C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000423925817 528835528 /nfs/dbraw/zinc/83/55/28/528835528.db2.gz CAUQFPNEVMRORY-FRRDWIJNSA-N 2 2 269.389 0.435 20 0 CCADLP CCCC[C@@H]([NH3+])C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000423925817 528835533 /nfs/dbraw/zinc/83/55/33/528835533.db2.gz CAUQFPNEVMRORY-FRRDWIJNSA-N 2 2 269.389 0.435 20 0 CCADLP C[NH+]1CCN(CC(=O)NCc2c[nH+]c3n2CCCC3)CC1 ZINC000671921723 545261029 /nfs/dbraw/zinc/26/10/29/545261029.db2.gz YPFNDUCBXAVZCT-UHFFFAOYSA-N 2 2 291.399 0.083 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC000672209406 545264944 /nfs/dbraw/zinc/26/49/44/545264944.db2.gz BGWXEQFGASCUTE-QLFBSQMISA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@H]1CCCC[N@H+]1C ZINC000672209406 545264945 /nfs/dbraw/zinc/26/49/45/545264945.db2.gz BGWXEQFGASCUTE-QLFBSQMISA-N 2 2 295.427 0.792 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@](O)(CC)C2)CC1 ZINC000425931274 529130948 /nfs/dbraw/zinc/13/09/48/529130948.db2.gz PPKKCIFPMPRQIQ-UKRRQHHQSA-N 2 2 283.416 0.386 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@](O)(CC)C2)CC1 ZINC000425931274 529130950 /nfs/dbraw/zinc/13/09/50/529130950.db2.gz PPKKCIFPMPRQIQ-UKRRQHHQSA-N 2 2 283.416 0.386 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000673647421 545289961 /nfs/dbraw/zinc/28/99/61/545289961.db2.gz FBRXPRMFYOHFFY-HNNXBMFYSA-N 2 2 289.379 0.449 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000673647421 545289962 /nfs/dbraw/zinc/28/99/62/545289962.db2.gz FBRXPRMFYOHFFY-HNNXBMFYSA-N 2 2 289.379 0.449 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)OC ZINC000424291417 529252000 /nfs/dbraw/zinc/25/20/00/529252000.db2.gz NUSHEHRAJQOVHF-SFTQSGBHSA-N 2 2 299.415 0.550 20 0 CCADLP CCC(=O)N[C@@H](C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000674000221 545298242 /nfs/dbraw/zinc/29/82/42/545298242.db2.gz CHXSIHAEJHTHNS-LBPRGKRZSA-N 2 2 298.431 0.043 20 0 CCADLP COC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000507261329 536549832 /nfs/dbraw/zinc/54/98/32/536549832.db2.gz GGKNXLPCJUVXRN-RLAWYHOSSA-N 2 2 283.416 0.695 20 0 CCADLP COC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000507261329 536549838 /nfs/dbraw/zinc/54/98/38/536549838.db2.gz GGKNXLPCJUVXRN-RLAWYHOSSA-N 2 2 283.416 0.695 20 0 CCADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000357104334 534980650 /nfs/dbraw/zinc/98/06/50/534980650.db2.gz VDFHQOWVCWNDKJ-CABCVRRESA-N 2 2 297.443 0.896 20 0 CCADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000357104334 534980654 /nfs/dbraw/zinc/98/06/54/534980654.db2.gz VDFHQOWVCWNDKJ-CABCVRRESA-N 2 2 297.443 0.896 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@H](C)[NH+](C)C)[NH+]1CCOCC1 ZINC000674287373 545302840 /nfs/dbraw/zinc/30/28/40/545302840.db2.gz ADTZTBMXVWCXJD-TUAOUCFPSA-N 2 2 257.378 0.162 20 0 CCADLP C[C@@H](C(=O)NCCc1cn2ccccc2[nH+]1)[NH+](C)C ZINC000674244594 545301246 /nfs/dbraw/zinc/30/12/46/545301246.db2.gz ITBCIIXAEAWPTJ-NSHDSACASA-N 2 2 260.341 0.943 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@@H+]1CCO[C@@H](C)C1)[NH+](C)C ZINC000518926660 535134583 /nfs/dbraw/zinc/13/45/83/535134583.db2.gz IUHUJDZNESETDN-STQMWFEESA-N 2 2 271.405 0.410 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@H+]1CCO[C@@H](C)C1)[NH+](C)C ZINC000518926660 535134588 /nfs/dbraw/zinc/13/45/88/535134588.db2.gz IUHUJDZNESETDN-STQMWFEESA-N 2 2 271.405 0.410 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000370315503 535183203 /nfs/dbraw/zinc/18/32/03/535183203.db2.gz QLOLXXUMZXSBKQ-UHFFFAOYSA-N 2 2 295.427 0.794 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000674878817 545316808 /nfs/dbraw/zinc/31/68/08/545316808.db2.gz MQVIFCGMXVDYJU-ZIAGYGMSSA-N 3 2 268.449 0.552 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000674878817 545316809 /nfs/dbraw/zinc/31/68/09/545316809.db2.gz MQVIFCGMXVDYJU-ZIAGYGMSSA-N 3 2 268.449 0.552 20 0 CCADLP CC[C@@H](C)C[N@H+](CCN1CC[NH+](C)CC1)CC(=O)OC ZINC000343621125 535512604 /nfs/dbraw/zinc/51/26/04/535512604.db2.gz LWGIOJLZGWRCDQ-CQSZACIVSA-N 2 2 285.432 0.755 20 0 CCADLP CC[C@@H](C)C[N@@H+](CCN1CC[NH+](C)CC1)CC(=O)OC ZINC000343621125 535512609 /nfs/dbraw/zinc/51/26/09/535512609.db2.gz LWGIOJLZGWRCDQ-CQSZACIVSA-N 2 2 285.432 0.755 20 0 CCADLP CC[NH+](CC)CCNC(=O)NCc1[nH+]ccn1C ZINC000264137116 535536869 /nfs/dbraw/zinc/53/68/69/535536869.db2.gz ZAWVIXDFPBYDJC-UHFFFAOYSA-N 2 2 253.350 0.561 20 0 CCADLP C[C@@H](Nc1[nH+]cnc2c1cnn2C)[C@H]1C[N@H+](C)CCO1 ZINC000676315183 545341456 /nfs/dbraw/zinc/34/14/56/545341456.db2.gz ZCGVANZLMVTHAJ-MWLCHTKSSA-N 2 2 276.344 0.494 20 0 CCADLP C[C@@H](Nc1[nH+]cnc2c1cnn2C)[C@H]1C[N@@H+](C)CCO1 ZINC000676315183 545341457 /nfs/dbraw/zinc/34/14/57/545341457.db2.gz ZCGVANZLMVTHAJ-MWLCHTKSSA-N 2 2 276.344 0.494 20 0 CCADLP CCOCC[C@@H](O)C[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000515415128 535663050 /nfs/dbraw/zinc/66/30/50/535663050.db2.gz QGWAASXKTOWRAT-ZIAGYGMSSA-N 2 2 274.405 0.332 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+]([C@@H]2CCCOC2)CC1 ZINC000678083263 545384183 /nfs/dbraw/zinc/38/41/83/545384183.db2.gz XZBKNPHAIVJFOB-KGLIPLIRSA-N 2 2 281.400 0.580 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+]([C@@H]2CCCOC2)CC1 ZINC000678083263 545384184 /nfs/dbraw/zinc/38/41/84/545384184.db2.gz XZBKNPHAIVJFOB-KGLIPLIRSA-N 2 2 281.400 0.580 20 0 CCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000678413252 545391309 /nfs/dbraw/zinc/39/13/09/545391309.db2.gz FLVABEUBFLGIDS-LLVKDONJSA-N 2 2 280.347 0.645 20 0 CCADLP C[NH+]1CCN(C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000337390897 536405926 /nfs/dbraw/zinc/40/59/26/536405926.db2.gz HKXOEOBKPNSSSK-UHFFFAOYSA-N 2 2 284.404 0.056 20 0 CCADLP CC(C)(C[NH2+]CCn1cc[nH+]c1)N1CCOCC1 ZINC000679114580 545402232 /nfs/dbraw/zinc/40/22/32/545402232.db2.gz FCKVTSAPFCVPHO-UHFFFAOYSA-N 2 2 252.362 0.584 20 0 CCADLP COC(=O)c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)[nH]1 ZINC000357138453 536673959 /nfs/dbraw/zinc/67/39/59/536673959.db2.gz WXJAUVIDFXNYNX-QWRGUYRKSA-N 2 2 263.341 0.843 20 0 CCADLP COC(=O)c1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)[nH]1 ZINC000357138453 536673964 /nfs/dbraw/zinc/67/39/64/536673964.db2.gz WXJAUVIDFXNYNX-QWRGUYRKSA-N 2 2 263.341 0.843 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)Nc2cc(N(C)C)cc[nH+]2)C1 ZINC000680258005 545424326 /nfs/dbraw/zinc/42/43/26/545424326.db2.gz YTJGMJPZRBBZTG-GFCCVEGCSA-N 2 2 278.356 0.807 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)Nc2cc(N(C)C)cc[nH+]2)C1 ZINC000680258005 545424327 /nfs/dbraw/zinc/42/43/27/545424327.db2.gz YTJGMJPZRBBZTG-GFCCVEGCSA-N 2 2 278.356 0.807 20 0 CCADLP COCC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000343246085 536796087 /nfs/dbraw/zinc/79/60/87/536796087.db2.gz MYALVKHZVGBVJV-XHSDSOJGSA-N 3 2 299.459 0.701 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000343246085 536796092 /nfs/dbraw/zinc/79/60/92/536796092.db2.gz MYALVKHZVGBVJV-XHSDSOJGSA-N 3 2 299.459 0.701 20 0 CCADLP COc1ccc([C@H](NC(=O)C[NH3+])c2[nH+]ccn2C)cc1 ZINC000347627757 536923806 /nfs/dbraw/zinc/92/38/06/536923806.db2.gz VAVWCYTXPIAEMN-ZDUSSCGKSA-N 2 2 274.324 0.593 20 0 CCADLP C[NH+](C)CCCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000681782829 545462589 /nfs/dbraw/zinc/46/25/89/545462589.db2.gz PSKKQUXXQXXSAZ-NSHDSACASA-N 2 2 265.361 0.449 20 0 CCADLP CC1(C)CN(C(=O)CCn2cc[nH+]c2)CC[N@@H+]1CCO ZINC000682006165 545469198 /nfs/dbraw/zinc/46/91/98/545469198.db2.gz GXZQNEMPPMRPLS-UHFFFAOYSA-N 2 2 280.372 0.188 20 0 CCADLP CC1(C)CN(C(=O)CCn2cc[nH+]c2)CC[N@H+]1CCO ZINC000682006165 545469199 /nfs/dbraw/zinc/46/91/99/545469199.db2.gz GXZQNEMPPMRPLS-UHFFFAOYSA-N 2 2 280.372 0.188 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000682035876 545470992 /nfs/dbraw/zinc/47/09/92/545470992.db2.gz UQHLJOFVNPRIDJ-CQSZACIVSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000682035876 545470993 /nfs/dbraw/zinc/47/09/93/545470993.db2.gz UQHLJOFVNPRIDJ-CQSZACIVSA-N 2 2 285.432 0.096 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000682469218 545480033 /nfs/dbraw/zinc/48/00/33/545480033.db2.gz WCLAKMGXWUNOTQ-OLZOCXBDSA-N 2 2 276.384 0.902 20 0 CCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC000682527045 545482293 /nfs/dbraw/zinc/48/22/93/545482293.db2.gz BVZDAIQROHWCGY-HZSPNIEDSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC000682527045 545482294 /nfs/dbraw/zinc/48/22/94/545482294.db2.gz BVZDAIQROHWCGY-HZSPNIEDSA-N 2 2 288.395 0.998 20 0 CCADLP CCN1OC[C@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1=O ZINC000682678004 545487221 /nfs/dbraw/zinc/48/72/21/545487221.db2.gz KCHZQFFMBKGWNU-NSHDSACASA-N 2 2 264.329 0.751 20 0 CCADLP CCN1OC[C@@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1=O ZINC000682678003 545487388 /nfs/dbraw/zinc/48/73/88/545487388.db2.gz KCHZQFFMBKGWNU-LLVKDONJSA-N 2 2 264.329 0.751 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCC(C)(C)O)C2)CC1 ZINC000683851676 545572033 /nfs/dbraw/zinc/57/20/33/545572033.db2.gz ZLSJSKBUHIGZQP-ZDUSSCGKSA-N 2 2 297.443 0.822 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCC(C)(C)O)C2)CC1 ZINC000683851676 545572034 /nfs/dbraw/zinc/57/20/34/545572034.db2.gz ZLSJSKBUHIGZQP-ZDUSSCGKSA-N 2 2 297.443 0.822 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000683659207 545555722 /nfs/dbraw/zinc/55/57/22/545555722.db2.gz NKXXJBGSJSDXKM-SOUVJXGZSA-N 2 2 297.399 0.932 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000683659207 545555724 /nfs/dbraw/zinc/55/57/24/545555724.db2.gz NKXXJBGSJSDXKM-SOUVJXGZSA-N 2 2 297.399 0.932 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC1CC(C[NH2+]CC2CC2)C1 ZINC000962537652 649903432 /nfs/dbraw/zinc/90/34/32/649903432.db2.gz ZSKINRWJNUJEHW-UHFFFAOYSA-N 2 2 276.384 0.857 20 0 CCADLP CC[C@@H](CO)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000779775963 581203815 /nfs/dbraw/zinc/20/38/15/581203815.db2.gz JYKLGGKMTFOTDW-STQMWFEESA-N 2 2 283.416 0.290 20 0 CCADLP C[C@H](NC(=O)c1cccc2[nH+]ccn21)[C@H]1C[N@H+](C)CCO1 ZINC000777036742 581104234 /nfs/dbraw/zinc/10/42/34/581104234.db2.gz IMPSHFQFASZSFB-WCQYABFASA-N 2 2 288.351 0.783 20 0 CCADLP C[C@H](NC(=O)c1cccc2[nH+]ccn21)[C@H]1C[N@@H+](C)CCO1 ZINC000777036742 581104235 /nfs/dbraw/zinc/10/42/35/581104235.db2.gz IMPSHFQFASZSFB-WCQYABFASA-N 2 2 288.351 0.783 20 0 CCADLP O=C(CC[NH+]1CCOCC1)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000777455680 581116224 /nfs/dbraw/zinc/11/62/24/581116224.db2.gz SDVZPEVCZGGWDQ-GFCCVEGCSA-N 2 2 278.356 0.796 20 0 CCADLP C[C@H]1C[N@H+](CC2OCCO2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000777715579 581131669 /nfs/dbraw/zinc/13/16/69/581131669.db2.gz CDUQKNGZJKCYFN-UONOGXRCSA-N 2 2 283.416 0.317 20 0 CCADLP C[C@H]1C[N@@H+](CC2OCCO2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000777715579 581131670 /nfs/dbraw/zinc/13/16/70/581131670.db2.gz CDUQKNGZJKCYFN-UONOGXRCSA-N 2 2 283.416 0.317 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000779123753 581175212 /nfs/dbraw/zinc/17/52/12/581175212.db2.gz BXCCSUZBBLYMMG-CYBMUJFWSA-N 2 2 294.399 0.497 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000779123753 581175214 /nfs/dbraw/zinc/17/52/14/581175214.db2.gz BXCCSUZBBLYMMG-CYBMUJFWSA-N 2 2 294.399 0.497 20 0 CCADLP C[C@@H](CCC1CC1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000398102509 581183716 /nfs/dbraw/zinc/18/37/16/581183716.db2.gz UIULQELJSLCQFS-LBPRGKRZSA-N 2 2 253.390 0.929 20 0 CCADLP C[NH+](C)CC[C@](C)(O)CNC(=O)c1cccc2[nH+]ccn21 ZINC000779546292 581189779 /nfs/dbraw/zinc/18/97/79/581189779.db2.gz ZZFBOUMEDJZRRF-HNNXBMFYSA-N 2 2 290.367 0.767 20 0 CCADLP CC[C@@H](CO)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000779775963 581203814 /nfs/dbraw/zinc/20/38/14/581203814.db2.gz JYKLGGKMTFOTDW-STQMWFEESA-N 2 2 283.416 0.290 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000726255832 581233685 /nfs/dbraw/zinc/23/36/85/581233685.db2.gz MEJKGNQUCMWKNG-CHWSQXEVSA-N 2 2 295.387 0.292 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000726255832 581233686 /nfs/dbraw/zinc/23/36/86/581233686.db2.gz MEJKGNQUCMWKNG-CHWSQXEVSA-N 2 2 295.387 0.292 20 0 CCADLP CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000726256032 581234310 /nfs/dbraw/zinc/23/43/10/581234310.db2.gz MVZANRHUESHURV-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH+]1CCC(NC(=O)NCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000726256032 581234312 /nfs/dbraw/zinc/23/43/12/581234312.db2.gz MVZANRHUESHURV-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+](C)[C@@H]2CCOC2)C1 ZINC000783987650 581369929 /nfs/dbraw/zinc/36/99/29/581369929.db2.gz JIZNXZMBFXLVNJ-VXGBXAGGSA-N 2 2 278.356 0.414 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+](C)[C@@H]2CCOC2)C1 ZINC000783987650 581369930 /nfs/dbraw/zinc/36/99/30/581369930.db2.gz JIZNXZMBFXLVNJ-VXGBXAGGSA-N 2 2 278.356 0.414 20 0 CCADLP C[C@@H]1COCCC[N@@H+]1CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783996852 581370582 /nfs/dbraw/zinc/37/05/82/581370582.db2.gz SULSYBAZIATZTH-OLZOCXBDSA-N 2 2 292.383 0.804 20 0 CCADLP C[C@@H]1COCCC[N@H+]1CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783996852 581370583 /nfs/dbraw/zinc/37/05/83/581370583.db2.gz SULSYBAZIATZTH-OLZOCXBDSA-N 2 2 292.383 0.804 20 0 CCADLP CC[C@]1(C)C[N@H+](C[C@@H](O)C[NH+]2CCCC2)CCO1 ZINC000785495638 581410651 /nfs/dbraw/zinc/41/06/51/581410651.db2.gz PJLNLFZYIPOPJW-UONOGXRCSA-N 2 2 256.390 0.944 20 0 CCADLP CC[C@]1(C)C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)CCO1 ZINC000785495638 581410652 /nfs/dbraw/zinc/41/06/52/581410652.db2.gz PJLNLFZYIPOPJW-UONOGXRCSA-N 2 2 256.390 0.944 20 0 CCADLP O[C@@H]1CCC[C@@H]1[NH+]1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000796451111 581441193 /nfs/dbraw/zinc/44/11/93/581441193.db2.gz PTBBCXCRSOPTFF-QWHCGFSZSA-N 2 2 250.346 0.441 20 0 CCADLP O[C@@H]1CCC[C@@H]1[NH+]1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000796451111 581441194 /nfs/dbraw/zinc/44/11/94/581441194.db2.gz PTBBCXCRSOPTFF-QWHCGFSZSA-N 2 2 250.346 0.441 20 0 CCADLP C[C@@H](CCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000797084813 581459192 /nfs/dbraw/zinc/45/91/92/581459192.db2.gz YNVVSMQXCUZCOJ-FUDCBSFHSA-N 2 2 283.416 0.431 20 0 CCADLP C[C@@H](CCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000797084813 581459193 /nfs/dbraw/zinc/45/91/93/581459193.db2.gz YNVVSMQXCUZCOJ-FUDCBSFHSA-N 2 2 283.416 0.431 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[NH2+][C@](C)(C[NH3+])C1CC1)C(=O)OC ZINC000420289202 581580667 /nfs/dbraw/zinc/58/06/67/581580667.db2.gz JWRFYHFSNYUBQL-VZJVUDMVSA-N 2 2 299.415 0.407 20 0 CCADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(S(N)(=O)=O)cc1 ZINC000094078136 581593069 /nfs/dbraw/zinc/59/30/69/581593069.db2.gz LUMRECKJHSEPRZ-ONGXEEELSA-N 2 2 269.370 0.347 20 0 CCADLP CC(C)c1nc(N(C)C)nc(NC[C@H](O)C[NH+](C)C)[nH+]1 ZINC000767200083 581600152 /nfs/dbraw/zinc/60/01/52/581600152.db2.gz RXKYDYJIXXTAGS-JTQLQIEISA-N 2 2 282.392 0.395 20 0 CCADLP CC(C)c1nc(NC[C@H](O)C[NH+](C)C)nc(N(C)C)[nH+]1 ZINC000767200083 581600156 /nfs/dbraw/zinc/60/01/56/581600156.db2.gz RXKYDYJIXXTAGS-JTQLQIEISA-N 2 2 282.392 0.395 20 0 CCADLP CNC(=O)[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000729542760 581603312 /nfs/dbraw/zinc/60/33/12/581603312.db2.gz SGGOGOCGSZSZDU-QWHCGFSZSA-N 2 2 269.389 0.044 20 0 CCADLP CNC(=O)[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000729542760 581603314 /nfs/dbraw/zinc/60/33/14/581603314.db2.gz SGGOGOCGSZSZDU-QWHCGFSZSA-N 2 2 269.389 0.044 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)N2CCC[C@H]([NH+](C)C)C2)CCO1 ZINC000729607151 581606086 /nfs/dbraw/zinc/60/60/86/581606086.db2.gz XNOOXVNHBYXHIB-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP CC(C)[NH+]1CCC([N@H+](C)CCS(N)(=O)=O)CC1 ZINC000735919912 581674355 /nfs/dbraw/zinc/67/43/55/581674355.db2.gz JEJYYFQJVHEROM-UHFFFAOYSA-N 2 2 263.407 0.080 20 0 CCADLP CC(C)[NH+]1CCC([N@@H+](C)CCS(N)(=O)=O)CC1 ZINC000735919912 581674356 /nfs/dbraw/zinc/67/43/56/581674356.db2.gz JEJYYFQJVHEROM-UHFFFAOYSA-N 2 2 263.407 0.080 20 0 CCADLP C[NH+](C)CCCNC(=S)NCCNc1cccc[nH+]1 ZINC000730593481 581722254 /nfs/dbraw/zinc/72/22/54/581722254.db2.gz PDOBWSBQFRDJBO-UHFFFAOYSA-N 2 2 281.429 0.909 20 0 CCADLP COC(=O)C[C@@]1([NH2+]CC[NH+]2CCCC2)CCCOC1 ZINC000770703283 581763123 /nfs/dbraw/zinc/76/31/23/581763123.db2.gz YDXZHWJFOUIDJV-AWEZNQCLSA-N 2 2 270.373 0.784 20 0 CCADLP CC(C)c1nc(NCC(=O)N2CC[NH+](C)CC2)cc[nH+]1 ZINC000731995733 581797578 /nfs/dbraw/zinc/79/75/78/581797578.db2.gz BGISTWTUCKNNDT-UHFFFAOYSA-N 2 2 277.372 0.786 20 0 CCADLP O=C1C[C@@H]([NH2+]Cc2ccoc2)CN1CC[NH+]1CCOCC1 ZINC000771958613 581835616 /nfs/dbraw/zinc/83/56/16/581835616.db2.gz MDHFNIHGZBBKMK-CQSZACIVSA-N 2 2 293.367 0.302 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CC[NH+]3CCO[C@H]2C3)C1 ZINC000580659071 581903863 /nfs/dbraw/zinc/90/38/63/581903863.db2.gz QCQJPMPIVXTGKD-MCIONIFRSA-N 2 2 281.400 0.260 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CC[NH+]3CCO[C@H]2C3)C1 ZINC000580659071 581903865 /nfs/dbraw/zinc/90/38/65/581903865.db2.gz QCQJPMPIVXTGKD-MCIONIFRSA-N 2 2 281.400 0.260 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+]3CCO[C@H]2C3)C1 ZINC000580659071 581903866 /nfs/dbraw/zinc/90/38/66/581903866.db2.gz QCQJPMPIVXTGKD-MCIONIFRSA-N 2 2 281.400 0.260 20 0 CCADLP CCCCCCN(CC[NH+]1CCOCC1)C(=O)C[NH2+]C ZINC000746319241 581910363 /nfs/dbraw/zinc/91/03/63/581910363.db2.gz GWSVHSZQOKZOPM-UHFFFAOYSA-N 2 2 285.432 0.947 20 0 CCADLP O=c1sccn1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000746603911 581920083 /nfs/dbraw/zinc/92/00/83/581920083.db2.gz VUGZDYSVLYCPKI-UHFFFAOYSA-N 2 2 297.424 0.912 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CN1CCOC1=S ZINC000746654104 581921588 /nfs/dbraw/zinc/92/15/88/581921588.db2.gz XZQQCESNZCFNEV-UPJWGTAASA-N 2 2 299.440 0.745 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CN1CCOC1=S ZINC000746654104 581921589 /nfs/dbraw/zinc/92/15/89/581921589.db2.gz XZQQCESNZCFNEV-UPJWGTAASA-N 2 2 299.440 0.745 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)C2([NH+](C)C)CCC2)n1C ZINC000763045169 581980790 /nfs/dbraw/zinc/98/07/90/581980790.db2.gz URFHJSFZTUGYCC-UHFFFAOYSA-N 2 2 279.388 0.587 20 0 CCADLP CON(C)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000774660890 581986968 /nfs/dbraw/zinc/98/69/68/581986968.db2.gz BMFJCLYVASVSRD-VXGBXAGGSA-N 2 2 255.362 0.422 20 0 CCADLP CON(C)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000774660890 581986970 /nfs/dbraw/zinc/98/69/70/581986970.db2.gz BMFJCLYVASVSRD-VXGBXAGGSA-N 2 2 255.362 0.422 20 0 CCADLP CON(C)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000774660890 581986973 /nfs/dbraw/zinc/98/69/73/581986973.db2.gz BMFJCLYVASVSRD-VXGBXAGGSA-N 2 2 255.362 0.422 20 0 CCADLP CON(C)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000774660890 581986975 /nfs/dbraw/zinc/98/69/75/581986975.db2.gz BMFJCLYVASVSRD-VXGBXAGGSA-N 2 2 255.362 0.422 20 0 CCADLP O=S1(=O)CCC[C@@H]([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000775374727 582021065 /nfs/dbraw/zinc/02/10/65/582021065.db2.gz DICIDGAVFWSHQD-CYBMUJFWSA-N 2 2 290.429 0.266 20 0 CCADLP C[C@H]1CN(C(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)CCO1 ZINC000751481403 582083145 /nfs/dbraw/zinc/08/31/45/582083145.db2.gz FGXYVBYODBFTMR-LBPRGKRZSA-N 2 2 292.383 0.836 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+](Cn3cnnc3)CC2)c1 ZINC000776758920 582089406 /nfs/dbraw/zinc/08/94/06/582089406.db2.gz SVBOISXZTIRDOW-UHFFFAOYSA-N 2 2 274.328 0.461 20 0 CCADLP CC[C@@H](C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000901142102 615384989 /nfs/dbraw/zinc/38/49/89/615384989.db2.gz ZWGWQYJQRZTUJE-GRYCIOLGSA-N 2 2 257.378 0.162 20 0 CCADLP CC[C@@H](C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000901142102 615384992 /nfs/dbraw/zinc/38/49/92/615384992.db2.gz ZWGWQYJQRZTUJE-GRYCIOLGSA-N 2 2 257.378 0.162 20 0 CCADLP COCC(COC)[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931317031 616730410 /nfs/dbraw/zinc/73/04/10/616730410.db2.gz MEWQOVAHJJTURH-KBPBESRZSA-N 2 2 256.390 0.921 20 0 CCADLP C[C@@H](F)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963017764 649907932 /nfs/dbraw/zinc/90/79/32/649907932.db2.gz KAYRAXLBAKDNFB-NMKXLXIOSA-N 2 2 280.347 0.678 20 0 CCADLP C[C@@H](F)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963017764 649907936 /nfs/dbraw/zinc/90/79/36/649907936.db2.gz KAYRAXLBAKDNFB-NMKXLXIOSA-N 2 2 280.347 0.678 20 0 CCADLP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]CC1([NH3+])CC1)CCC2 ZINC000902408127 634379242 /nfs/dbraw/zinc/37/92/42/634379242.db2.gz XBFLSJXTMHJONN-CYBMUJFWSA-N 2 2 295.408 0.792 20 0 CCADLP CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000925772803 617183070 /nfs/dbraw/zinc/18/30/70/617183070.db2.gz URRORWXYZVROCM-FIQHERPVSA-N 2 2 260.403 0.812 20 0 CCADLP c1sc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1-c1nn[nH]n1 ZINC000826527061 608859635 /nfs/dbraw/zinc/85/96/35/608859635.db2.gz XQXUJDLIFZPQJY-AOOOYVTPSA-N 2 2 276.369 0.579 20 0 CCADLP c1sc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1-c1nn[nH]n1 ZINC000826527061 608859636 /nfs/dbraw/zinc/85/96/36/608859636.db2.gz XQXUJDLIFZPQJY-AOOOYVTPSA-N 2 2 276.369 0.579 20 0 CCADLP c1cc(-c2nn[nH]n2)oc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000826514777 608859647 /nfs/dbraw/zinc/85/96/47/608859647.db2.gz CHOXOHNUNMAGCC-RKDXNWHRSA-N 2 2 260.301 0.111 20 0 CCADLP CC(C)(C)S(=O)(=O)CC[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903921918 614019060 /nfs/dbraw/zinc/01/90/60/614019060.db2.gz SOCWXBWNDUBWQK-MRVPVSSYSA-N 2 2 272.361 0.772 20 0 CCADLP CC(=O)OC[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000892794044 614224370 /nfs/dbraw/zinc/22/43/70/614224370.db2.gz QOLVKBGAVPQFSS-TZMCWYRMSA-N 2 2 299.415 0.470 20 0 CCADLP CC(=O)OC[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000892794044 614224372 /nfs/dbraw/zinc/22/43/72/614224372.db2.gz QOLVKBGAVPQFSS-TZMCWYRMSA-N 2 2 299.415 0.470 20 0 CCADLP CC(C)[NH+]1CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000036190617 614362968 /nfs/dbraw/zinc/36/29/68/614362968.db2.gz KBRGLTUAMNKGDZ-LBPRGKRZSA-N 2 2 275.418 0.094 20 0 CCADLP CC(C)[N@H+](C[C@@H](O)C[NH+]1CCCC1)C[C@@H]1CCC(=O)N1 ZINC000839673154 614296729 /nfs/dbraw/zinc/29/67/29/614296729.db2.gz UVWCMFAONBOWGV-KBPBESRZSA-N 2 2 283.416 0.432 20 0 CCADLP CC(C)[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C[C@@H]1CCC(=O)N1 ZINC000839673154 614296733 /nfs/dbraw/zinc/29/67/33/614296733.db2.gz UVWCMFAONBOWGV-KBPBESRZSA-N 2 2 283.416 0.432 20 0 CCADLP CCCCOC(=O)CC[NH+]1CCC([NH2+]CCO)CC1 ZINC000866683398 614431355 /nfs/dbraw/zinc/43/13/55/614431355.db2.gz YICNDAOAARZERZ-UHFFFAOYSA-N 2 2 272.389 0.766 20 0 CCADLP COc1ccc(C[NH2+]CCn2cc[nH+]c2)cc1-c1nn[nH]n1 ZINC000821814254 617257763 /nfs/dbraw/zinc/25/77/63/617257763.db2.gz YUQXPIPMNYXNOB-UHFFFAOYSA-N 2 2 299.338 0.862 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1CO)[NH+]1CCCCCC1 ZINC000912744431 617304649 /nfs/dbraw/zinc/30/46/49/617304649.db2.gz WBPGGWLADREWNA-KBPBESRZSA-N 2 2 283.416 0.386 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1CO)[NH+]1CCCCCC1 ZINC000912744431 617304651 /nfs/dbraw/zinc/30/46/51/617304651.db2.gz WBPGGWLADREWNA-KBPBESRZSA-N 2 2 283.416 0.386 20 0 CCADLP C/C=C/[C@H](O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900675035 613200430 /nfs/dbraw/zinc/20/04/30/613200430.db2.gz OLPGJXRTSTUXHQ-WQZXPNJLSA-N 2 2 281.400 0.208 20 0 CCADLP C/C=C/[C@H](O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900675035 613200431 /nfs/dbraw/zinc/20/04/31/613200431.db2.gz OLPGJXRTSTUXHQ-WQZXPNJLSA-N 2 2 281.400 0.208 20 0 CCADLP C(CN[C@H]1CC[NH2+]C12CCC2)C[NH+]1CCOCC1 ZINC000903471140 613225159 /nfs/dbraw/zinc/22/51/59/613225159.db2.gz QBFCXBSIKVIIDQ-ZDUSSCGKSA-N 2 2 253.390 0.583 20 0 CCADLP C(C[NH2+][C@H]1C[NH2+]CCOC1)COC[C@@H]1CCOC1 ZINC000925523577 613225210 /nfs/dbraw/zinc/22/52/10/613225210.db2.gz TXKXQHWWHQMFLB-STQMWFEESA-N 2 2 258.362 0.008 20 0 CCADLP C([C@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923530650 613225267 /nfs/dbraw/zinc/22/52/67/613225267.db2.gz LQLBXQALTAOWCU-HIFRSBDPSA-N 3 2 265.401 0.583 20 0 CCADLP C([C@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923530650 613225268 /nfs/dbraw/zinc/22/52/68/613225268.db2.gz LQLBXQALTAOWCU-HIFRSBDPSA-N 3 2 265.401 0.583 20 0 CCADLP C/C(=C/C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C)C[NH+]1CCOCC1 ZINC000901309335 613230670 /nfs/dbraw/zinc/23/06/70/613230670.db2.gz VHSPXQBMKBIPTJ-MKQVVRHOSA-N 2 2 295.427 0.816 20 0 CCADLP C/C(=C/C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C)C[NH+]1CCOCC1 ZINC000901309335 613230673 /nfs/dbraw/zinc/23/06/73/613230673.db2.gz VHSPXQBMKBIPTJ-MKQVVRHOSA-N 2 2 295.427 0.816 20 0 CCADLP C/C(=C/C(=O)N[C@@H](C)C[NH+](C)C)C[NH+]1CCOCC1 ZINC000908195649 613238577 /nfs/dbraw/zinc/23/85/77/613238577.db2.gz PGLLXYPHPVLYSH-SUIFULHWSA-N 2 2 269.389 0.331 20 0 CCADLP C/C(=C\C(=O)N1CC(C[NH+](C)C)C1)C[NH+]1CCOCC1 ZINC000908533963 613248653 /nfs/dbraw/zinc/24/86/53/613248653.db2.gz REXVKTXMUOMSFZ-MDWZMJQESA-N 2 2 281.400 0.285 20 0 CCADLP C/C(=C\C(=O)N1CC[NH2+]C(C)(C)C1)C[NH+]1CCOCC1 ZINC000900938429 613250555 /nfs/dbraw/zinc/25/05/55/613250555.db2.gz XBTMTQCOVUXHOE-JLHYYAGUSA-N 2 2 281.400 0.475 20 0 CCADLP C/C(=C\C(=O)N1CC[C@@H]([NH+]2CCC2)C1)C[NH+]1CCOCC1 ZINC000912902069 613251784 /nfs/dbraw/zinc/25/17/84/613251784.db2.gz JEJLGBBTIKQKCU-ATGUSINASA-N 2 2 293.411 0.572 20 0 CCADLP C/C(=C\C(=O)NCC1([NH+](C)C)CC1)C[NH+]1CCOCC1 ZINC000910931967 613255633 /nfs/dbraw/zinc/25/56/33/613255633.db2.gz UBQMTBLPJWPNPI-JLHYYAGUSA-N 2 2 281.400 0.475 20 0 CCADLP C/C(=C\C(=O)NC[C@@H]1CC[N@H+]1C)C[NH+]1CCOCC1 ZINC000928550940 613256738 /nfs/dbraw/zinc/25/67/38/613256738.db2.gz JOACXHLATKRLAP-SRXBQZRASA-N 2 2 267.373 0.085 20 0 CCADLP C/C(=C\C(=O)NC[C@@H]1CC[N@@H+]1C)C[NH+]1CCOCC1 ZINC000928550940 613256739 /nfs/dbraw/zinc/25/67/39/613256739.db2.gz JOACXHLATKRLAP-SRXBQZRASA-N 2 2 267.373 0.085 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N1CC[C@@H]([NH2+]C[C@H](C)O)C1 ZINC000969068982 617327155 /nfs/dbraw/zinc/32/71/55/617327155.db2.gz BZJKBPDCNRXLPR-WCQYABFASA-N 2 2 293.367 0.204 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000898279643 613938139 /nfs/dbraw/zinc/93/81/39/613938139.db2.gz HYISESDBVUXJRG-OLZOCXBDSA-N 2 2 281.400 0.137 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@H]1C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000898279643 613938141 /nfs/dbraw/zinc/93/81/41/613938141.db2.gz HYISESDBVUXJRG-OLZOCXBDSA-N 2 2 281.400 0.137 20 0 CCADLP CC(C)(C)[NH+]1CC[C@H]1C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000898279643 613938143 /nfs/dbraw/zinc/93/81/43/613938143.db2.gz HYISESDBVUXJRG-OLZOCXBDSA-N 2 2 281.400 0.137 20 0 CCADLP CC(C)(C)[NH+]1CC[C@H]1C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000898279643 613938145 /nfs/dbraw/zinc/93/81/45/613938145.db2.gz HYISESDBVUXJRG-OLZOCXBDSA-N 2 2 281.400 0.137 20 0 CCADLP CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]CCn1cc[nH+]c1 ZINC000818958568 613989787 /nfs/dbraw/zinc/98/97/87/613989787.db2.gz QXQVDYOSZXDEBX-LBPRGKRZSA-N 2 2 298.387 0.748 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000949043799 614093403 /nfs/dbraw/zinc/09/34/03/614093403.db2.gz WIODCVUQMKQREH-CABCVRRESA-N 2 2 297.443 0.632 20 0 CCADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000949043799 614093405 /nfs/dbraw/zinc/09/34/05/614093405.db2.gz WIODCVUQMKQREH-CABCVRRESA-N 2 2 297.443 0.632 20 0 CCADLP CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000923411302 614202727 /nfs/dbraw/zinc/20/27/27/614202727.db2.gz QRBRGEWIRIIEDO-RISCZKNCSA-N 2 2 295.383 0.664 20 0 CCADLP CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000923411302 614202729 /nfs/dbraw/zinc/20/27/29/614202729.db2.gz QRBRGEWIRIIEDO-RISCZKNCSA-N 2 2 295.383 0.664 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876533398 614214851 /nfs/dbraw/zinc/21/48/51/614214851.db2.gz ROAVOYOBXRWLPV-DHCBQETCSA-N 2 2 269.389 0.364 20 0 CCADLP CC(=O)OC1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000809965614 614215716 /nfs/dbraw/zinc/21/57/16/614215716.db2.gz IWPBBXRFPJBILM-CYBMUJFWSA-N 2 2 270.373 0.469 20 0 CCADLP CC(=O)OC1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000809965614 614215717 /nfs/dbraw/zinc/21/57/17/614215717.db2.gz IWPBBXRFPJBILM-CYBMUJFWSA-N 2 2 270.373 0.469 20 0 CCADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(N2CC[NH2+]CC2)o1 ZINC000904351426 614228292 /nfs/dbraw/zinc/22/82/92/614228292.db2.gz YGAXRYLDRFOGTR-CYBMUJFWSA-N 3 2 266.389 0.762 20 0 CCADLP CC(C)[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000960530493 614260747 /nfs/dbraw/zinc/26/07/47/614260747.db2.gz XBLCINIRKVJMRX-KBPBESRZSA-N 2 2 283.416 0.648 20 0 CCADLP CC(C)[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000960530493 614260743 /nfs/dbraw/zinc/26/07/43/614260743.db2.gz XBLCINIRKVJMRX-KBPBESRZSA-N 2 2 283.416 0.648 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000960530493 614260746 /nfs/dbraw/zinc/26/07/46/614260746.db2.gz XBLCINIRKVJMRX-KBPBESRZSA-N 2 2 283.416 0.648 20 0 CCADLP CC(C)[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000960530493 614260750 /nfs/dbraw/zinc/26/07/50/614260750.db2.gz XBLCINIRKVJMRX-KBPBESRZSA-N 2 2 283.416 0.648 20 0 CCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900788884 614271654 /nfs/dbraw/zinc/27/16/54/614271654.db2.gz XRBYFNKTYITNKB-GFCCVEGCSA-N 2 2 250.346 0.751 20 0 CCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900788884 614271656 /nfs/dbraw/zinc/27/16/56/614271656.db2.gz XRBYFNKTYITNKB-GFCCVEGCSA-N 2 2 250.346 0.751 20 0 CCADLP CC(C)[NH+]1CCN(C2CC[NH+](CN3CCC3=O)CC2)CC1 ZINC000857233418 614358599 /nfs/dbraw/zinc/35/85/99/614358599.db2.gz FOZJIAKKINZUML-UHFFFAOYSA-N 2 2 294.443 0.667 20 0 CCADLP CC(C)N1CC[NH+](CCC(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000928554712 614360055 /nfs/dbraw/zinc/36/00/55/614360055.db2.gz LLOULDOVQHTIES-AWEZNQCLSA-N 2 2 282.432 0.223 20 0 CCADLP CC(C)N1CC[NH+](CCC(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000928554712 614360057 /nfs/dbraw/zinc/36/00/57/614360057.db2.gz LLOULDOVQHTIES-AWEZNQCLSA-N 2 2 282.432 0.223 20 0 CCADLP CC(C)N1CC[NH+](CCC(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000928554730 614360205 /nfs/dbraw/zinc/36/02/05/614360205.db2.gz LLOULDOVQHTIES-CQSZACIVSA-N 2 2 282.432 0.223 20 0 CCADLP CC(C)N1CC[NH+](CCC(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000928554730 614360207 /nfs/dbraw/zinc/36/02/07/614360207.db2.gz LLOULDOVQHTIES-CQSZACIVSA-N 2 2 282.432 0.223 20 0 CCADLP CCCCOC(=O)[C@@H](C)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000842475247 614442284 /nfs/dbraw/zinc/44/22/84/614442284.db2.gz NRGUXKQUHFDLQW-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP CCCCOC(=O)[C@@H](C)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000842475247 614442286 /nfs/dbraw/zinc/44/22/86/614442286.db2.gz NRGUXKQUHFDLQW-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP CCCCOC[C@@H](O)CN1C[C@@H](c2c[nH+]cn2C)[C@H]([NH3+])C1 ZINC000923419281 614452308 /nfs/dbraw/zinc/45/23/08/614452308.db2.gz FVZXCDHQFDGMKW-BFHYXJOUSA-N 2 2 296.415 0.324 20 0 CCADLP CCN(C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000891517931 614604989 /nfs/dbraw/zinc/60/49/89/614604989.db2.gz NCWGLFRKOYGYQI-RDBSUJKOSA-N 2 2 298.431 0.489 20 0 CCADLP CCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C1C[NH+](CCCO)C1 ZINC000957420839 614617430 /nfs/dbraw/zinc/61/74/30/614617430.db2.gz VQRRWKLKCDBCBB-HNNXBMFYSA-N 2 2 297.443 0.776 20 0 CCADLP CCN(C(=O)[C@@H]1CCCC[N@H+]1CC)C1C[NH+](CCCO)C1 ZINC000957420839 614617433 /nfs/dbraw/zinc/61/74/33/614617433.db2.gz VQRRWKLKCDBCBB-HNNXBMFYSA-N 2 2 297.443 0.776 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868311824 614681549 /nfs/dbraw/zinc/68/15/49/614681549.db2.gz FCFDHOWQJZGZPN-DRDHIDPGSA-N 2 2 295.427 0.865 20 0 CCADLP CCC[N@H+]1CCC[C@H]1CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868311824 614681550 /nfs/dbraw/zinc/68/15/50/614681550.db2.gz FCFDHOWQJZGZPN-DRDHIDPGSA-N 2 2 295.427 0.865 20 0 CCADLP CC1(C)C[NH2+]CC[C@H]1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876869272 614704355 /nfs/dbraw/zinc/70/43/55/614704355.db2.gz DIGMVIRYDUDNEV-DHCBQETCSA-N 2 2 281.400 0.379 20 0 CCADLP CC1(C)C[NH2+]C[C@H]1Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000900022517 614710440 /nfs/dbraw/zinc/71/04/40/614710440.db2.gz UXQGWPANWQDVKY-LLVKDONJSA-N 2 2 277.372 0.723 20 0 CCADLP CCC[N@@H+]1CC[C@H](N2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)C1 ZINC000925358292 614745118 /nfs/dbraw/zinc/74/51/18/614745118.db2.gz IIEHDIJWTRFMCF-RYUDHWBXSA-N 2 2 291.355 0.357 20 0 CCADLP CCC[N@H+]1CC[C@H](N2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)C1 ZINC000925358292 614745119 /nfs/dbraw/zinc/74/51/19/614745119.db2.gz IIEHDIJWTRFMCF-RYUDHWBXSA-N 2 2 291.355 0.357 20 0 CCADLP CCC[N@@H+]1CC[C@H](N2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)C1 ZINC000925358292 614745120 /nfs/dbraw/zinc/74/51/20/614745120.db2.gz IIEHDIJWTRFMCF-RYUDHWBXSA-N 2 2 291.355 0.357 20 0 CCADLP CCC[N@H+]1CC[C@H](N2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)C1 ZINC000925358292 614745122 /nfs/dbraw/zinc/74/51/22/614745122.db2.gz IIEHDIJWTRFMCF-RYUDHWBXSA-N 2 2 291.355 0.357 20 0 CCADLP CC1(C)C[C@@H]([NH2+]Cc2nnc3n2CCNC3=O)C[C@@H]([NH3+])C1 ZINC000925765974 614774876 /nfs/dbraw/zinc/77/48/76/614774876.db2.gz NTAKSCWVWCONCI-ZJUUUORDSA-N 2 2 292.387 0.017 20 0 CCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925850166 614808122 /nfs/dbraw/zinc/80/81/22/614808122.db2.gz UFIVANCZMRSGGC-NWDGAFQWSA-N 3 2 281.400 0.402 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000849329325 614852427 /nfs/dbraw/zinc/85/24/27/614852427.db2.gz FTFIFPGTVVRCOE-TUAOUCFPSA-N 2 2 278.343 0.703 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000849329325 614852428 /nfs/dbraw/zinc/85/24/28/614852428.db2.gz FTFIFPGTVVRCOE-TUAOUCFPSA-N 2 2 278.343 0.703 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@]1(CC(=O)OC)CCCOC1 ZINC000846857482 614868364 /nfs/dbraw/zinc/86/83/64/614868364.db2.gz JKLKFNPCUNGINK-TZMCWYRMSA-N 2 2 288.388 0.001 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@]1(CC(=O)OC)CCCOC1 ZINC000846857482 614868367 /nfs/dbraw/zinc/86/83/67/614868367.db2.gz JKLKFNPCUNGINK-TZMCWYRMSA-N 2 2 288.388 0.001 20 0 CCADLP CCCC(=O)NC1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000915679998 614886704 /nfs/dbraw/zinc/88/67/04/614886704.db2.gz WXHNZRCSGKASGS-HNNXBMFYSA-N 2 2 297.443 0.824 20 0 CCADLP CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000971819736 614893105 /nfs/dbraw/zinc/89/31/05/614893105.db2.gz YFTQKZBKLOJBGT-TZMCWYRMSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000971819736 614893108 /nfs/dbraw/zinc/89/31/08/614893108.db2.gz YFTQKZBKLOJBGT-TZMCWYRMSA-N 2 2 276.384 0.998 20 0 CCADLP CCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000939862158 614904534 /nfs/dbraw/zinc/90/45/34/614904534.db2.gz XPAGMTWUJFUCQZ-NWDGAFQWSA-N 2 2 250.346 0.730 20 0 CCADLP CCCCCCNC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000846226650 614910752 /nfs/dbraw/zinc/91/07/52/614910752.db2.gz SLHIEUMKVSPPIU-ZIAGYGMSSA-N 2 2 285.432 0.979 20 0 CCADLP CCCCCCNC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000846226650 614910756 /nfs/dbraw/zinc/91/07/56/614910756.db2.gz SLHIEUMKVSPPIU-ZIAGYGMSSA-N 2 2 285.432 0.979 20 0 CCADLP CC1([NH+]2CCC2)CC[NH+](CCn2cnnn2)CC1 ZINC000880475895 614912528 /nfs/dbraw/zinc/91/25/28/614912528.db2.gz IYYRLOKUFBMPRS-UHFFFAOYSA-N 2 2 250.350 0.233 20 0 CCADLP CCN(CC)C(=O)C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000134194658 614978126 /nfs/dbraw/zinc/97/81/26/614978126.db2.gz LRATXXGARSYXQA-RYUDHWBXSA-N 2 2 257.378 0.211 20 0 CCADLP CC[NH+](CC)CCCOC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000805471223 614993193 /nfs/dbraw/zinc/99/31/93/614993193.db2.gz CYACKNUCHPIOGR-CYBMUJFWSA-N 2 2 272.389 0.982 20 0 CCADLP CC[NH+](CC)CCCOC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000805471223 614993196 /nfs/dbraw/zinc/99/31/96/614993196.db2.gz CYACKNUCHPIOGR-CYBMUJFWSA-N 2 2 272.389 0.982 20 0 CCADLP CC[NH+](CC)CCCOC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000805471224 614993348 /nfs/dbraw/zinc/99/33/48/614993348.db2.gz CYACKNUCHPIOGR-ZDUSSCGKSA-N 2 2 272.389 0.982 20 0 CCADLP CC[NH+](CC)CCCOC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000805471224 614993350 /nfs/dbraw/zinc/99/33/50/614993350.db2.gz CYACKNUCHPIOGR-ZDUSSCGKSA-N 2 2 272.389 0.982 20 0 CCADLP CC[NH2+]CCNC(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000911749993 615087243 /nfs/dbraw/zinc/08/72/43/615087243.db2.gz DAMXJMPCVPDULU-QWHCGFSZSA-N 2 2 271.405 0.602 20 0 CCADLP CC[NH2+]CCNC(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000911749993 615087245 /nfs/dbraw/zinc/08/72/45/615087245.db2.gz DAMXJMPCVPDULU-QWHCGFSZSA-N 2 2 271.405 0.602 20 0 CCADLP CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000969992422 615094936 /nfs/dbraw/zinc/09/49/36/615094936.db2.gz MDRPSYGSFWYPPX-RYUDHWBXSA-N 2 2 276.384 0.902 20 0 CCADLP CC[NH+]1CCC(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000823440013 615099114 /nfs/dbraw/zinc/09/91/14/615099114.db2.gz YUGBELKNGZCCPM-UHFFFAOYSA-N 2 2 250.346 0.800 20 0 CCADLP CC[NH2+]C[C@H]1C[C@@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000980743038 615099168 /nfs/dbraw/zinc/09/91/68/615099168.db2.gz GEQRXGDQELSTBN-GHMZBOCLSA-N 2 2 250.346 0.799 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000877435187 615108814 /nfs/dbraw/zinc/10/88/14/615108814.db2.gz YWQVKHYLXIYYMK-RYUDHWBXSA-N 2 2 257.378 0.211 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000877435187 615108816 /nfs/dbraw/zinc/10/88/16/615108816.db2.gz YWQVKHYLXIYYMK-RYUDHWBXSA-N 2 2 257.378 0.211 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865702586 615115443 /nfs/dbraw/zinc/11/54/43/615115443.db2.gz OUKPWCVAFLJQAI-PKYBCLHXSA-N 2 2 295.427 0.865 20 0 CCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865702586 615115445 /nfs/dbraw/zinc/11/54/45/615115445.db2.gz OUKPWCVAFLJQAI-PKYBCLHXSA-N 2 2 295.427 0.865 20 0 CCADLP CC[NH+]1CCN(CCC[NH2+][C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925548220 615158076 /nfs/dbraw/zinc/15/80/76/615158076.db2.gz ZPIFKGAWJXEBKP-GJZGRUSLSA-N 3 2 268.449 0.744 20 0 CCADLP CCOC(=O)C1=CC[C@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000863544594 615166353 /nfs/dbraw/zinc/16/63/53/615166353.db2.gz YZGYMJQICOTJIU-RRFJBIMHSA-N 2 2 294.395 0.995 20 0 CCADLP CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000972699757 615176897 /nfs/dbraw/zinc/17/68/97/615176897.db2.gz MSHHQGHINNOIGC-AWEZNQCLSA-N 2 2 278.356 0.206 20 0 CCADLP CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000972699757 615176899 /nfs/dbraw/zinc/17/68/99/615176899.db2.gz MSHHQGHINNOIGC-AWEZNQCLSA-N 2 2 278.356 0.206 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC([NH+]3CCCC3)C2)C1 ZINC000898609376 615180304 /nfs/dbraw/zinc/18/03/04/615180304.db2.gz VTPMOMOHJLIWDM-ZDUSSCGKSA-N 2 2 267.373 0.014 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC([NH+]3CCCC3)C2)C1 ZINC000898609376 615180305 /nfs/dbraw/zinc/18/03/05/615180305.db2.gz VTPMOMOHJLIWDM-ZDUSSCGKSA-N 2 2 267.373 0.014 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](CCC3CC3)CC2)C1 ZINC000957719984 615180870 /nfs/dbraw/zinc/18/08/70/615180870.db2.gz BIIZABBFRQQFRV-HNNXBMFYSA-N 2 2 295.427 0.651 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](CCC3CC3)CC2)C1 ZINC000957719984 615180872 /nfs/dbraw/zinc/18/08/72/615180872.db2.gz BIIZABBFRQQFRV-HNNXBMFYSA-N 2 2 295.427 0.651 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000883348610 615251881 /nfs/dbraw/zinc/25/18/81/615251881.db2.gz XUFXJFLVCYDRIU-UONOGXRCSA-N 2 2 297.447 0.016 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000883348610 615251882 /nfs/dbraw/zinc/25/18/82/615251882.db2.gz XUFXJFLVCYDRIU-UONOGXRCSA-N 2 2 297.447 0.016 20 0 CCADLP CCOCC[C@@H](O)C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517539 615298758 /nfs/dbraw/zinc/29/87/58/615298758.db2.gz ATOCDCFUOSRBES-LLVKDONJSA-N 2 2 265.357 0.809 20 0 CCADLP CCOCC[C@@H](O)C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517539 615298760 /nfs/dbraw/zinc/29/87/60/615298760.db2.gz ATOCDCFUOSRBES-LLVKDONJSA-N 2 2 265.357 0.809 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000883900247 615314263 /nfs/dbraw/zinc/31/42/63/615314263.db2.gz GWQBGNNBDHMNID-KBPBESRZSA-N 2 2 296.415 0.197 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000883900247 615314266 /nfs/dbraw/zinc/31/42/66/615314266.db2.gz GWQBGNNBDHMNID-KBPBESRZSA-N 2 2 296.415 0.197 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000882493766 615324223 /nfs/dbraw/zinc/32/42/23/615324223.db2.gz LNFIYJNJJMUWET-AAEUAGOBSA-N 2 2 262.357 0.656 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000882493766 615324226 /nfs/dbraw/zinc/32/42/26/615324226.db2.gz LNFIYJNJJMUWET-AAEUAGOBSA-N 2 2 262.357 0.656 20 0 CCADLP CCS(=O)(=O)NCCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879577887 615344287 /nfs/dbraw/zinc/34/42/87/615344287.db2.gz NRKKDADXDPFJDN-OLZOCXBDSA-N 2 2 289.445 0.342 20 0 CCADLP CCS(=O)(=O)NCCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879577887 615344289 /nfs/dbraw/zinc/34/42/89/615344289.db2.gz NRKKDADXDPFJDN-OLZOCXBDSA-N 2 2 289.445 0.342 20 0 CCADLP CCS(=O)(=O)NCCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879577887 615344292 /nfs/dbraw/zinc/34/42/92/615344292.db2.gz NRKKDADXDPFJDN-OLZOCXBDSA-N 2 2 289.445 0.342 20 0 CCADLP CCS(=O)(=O)NCCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879577887 615344295 /nfs/dbraw/zinc/34/42/95/615344295.db2.gz NRKKDADXDPFJDN-OLZOCXBDSA-N 2 2 289.445 0.342 20 0 CCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCC[NH+]2CCC2)C1 ZINC000901181136 615371457 /nfs/dbraw/zinc/37/14/57/615371457.db2.gz JNGHPXHZSSQFCR-ZDUSSCGKSA-N 2 2 297.399 0.083 20 0 CCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCC[NH+]2CCC2)C1 ZINC000901181136 615371459 /nfs/dbraw/zinc/37/14/59/615371459.db2.gz JNGHPXHZSSQFCR-ZDUSSCGKSA-N 2 2 297.399 0.083 20 0 CCADLP CC[C@@H](C(=O)NC[C@H]1CCC[NH2+]1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911750884 615382332 /nfs/dbraw/zinc/38/23/32/615382332.db2.gz GIBDDKSNOBHEOL-MCIONIFRSA-N 2 2 283.416 0.744 20 0 CCADLP CC[C@@H](C(=O)NC[C@H]1CCC[NH2+]1)[N@H+]1CCO[C@H](CC)C1 ZINC000911750884 615382336 /nfs/dbraw/zinc/38/23/36/615382336.db2.gz GIBDDKSNOBHEOL-MCIONIFRSA-N 2 2 283.416 0.744 20 0 CCADLP CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](C[C@@H](O)C[NH+](C)CC)C[C@@H]21 ZINC000932057978 615391225 /nfs/dbraw/zinc/39/12/25/615391225.db2.gz ZJTFQWGRXBJGIQ-RFQIPJPRSA-N 2 2 284.400 0.430 20 0 CCADLP CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](C[C@@H](O)C[NH+](C)CC)C[C@@H]21 ZINC000932057978 615391227 /nfs/dbraw/zinc/39/12/27/615391227.db2.gz ZJTFQWGRXBJGIQ-RFQIPJPRSA-N 2 2 284.400 0.430 20 0 CCADLP CCOC(=O)[C@@H]1[C@@H]2CC[NH+](C[C@@H](O)C[N@H+](C)CC)C[C@@H]21 ZINC000932057978 615391228 /nfs/dbraw/zinc/39/12/28/615391228.db2.gz ZJTFQWGRXBJGIQ-RFQIPJPRSA-N 2 2 284.400 0.430 20 0 CCADLP CCOC(=O)[C@@H]1[C@@H]2CC[NH+](C[C@@H](O)C[N@@H+](C)CC)C[C@@H]21 ZINC000932057978 615391229 /nfs/dbraw/zinc/39/12/29/615391229.db2.gz ZJTFQWGRXBJGIQ-RFQIPJPRSA-N 2 2 284.400 0.430 20 0 CCADLP CCO[C@@H](C[N@@H+]1CCC[C@H]([NH2+]CCO)C1)C1CC1 ZINC000923410080 615405030 /nfs/dbraw/zinc/40/50/30/615405030.db2.gz WRPFJMOLTHXKGZ-KBPBESRZSA-N 2 2 256.390 0.848 20 0 CCADLP CCO[C@@H](C[N@H+]1CCC[C@H]([NH2+]CCO)C1)C1CC1 ZINC000923410080 615405032 /nfs/dbraw/zinc/40/50/32/615405032.db2.gz WRPFJMOLTHXKGZ-KBPBESRZSA-N 2 2 256.390 0.848 20 0 CCADLP CCO[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C[NH+](C)C ZINC000831713802 615408162 /nfs/dbraw/zinc/40/81/62/615408162.db2.gz PKATWRQHKJXHBU-OLZOCXBDSA-N 2 2 294.399 0.528 20 0 CCADLP CC[C@@H](C)C[NH+]1CC(N(CC)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000949830203 615434785 /nfs/dbraw/zinc/43/47/85/615434785.db2.gz GBKFVUQJIHVUCH-HIFRSBDPSA-N 2 2 297.443 0.896 20 0 CCADLP CC[C@@H](C)C[NH+]1CC(N(CC)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000949830203 615434787 /nfs/dbraw/zinc/43/47/87/615434787.db2.gz GBKFVUQJIHVUCH-HIFRSBDPSA-N 2 2 297.443 0.896 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[N@H+](C)C1CC1 ZINC000918180947 615478400 /nfs/dbraw/zinc/47/84/00/615478400.db2.gz OPBKRAZCDDNCGL-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[N@@H+](C)C1CC1 ZINC000918180947 615478401 /nfs/dbraw/zinc/47/84/01/615478401.db2.gz OPBKRAZCDDNCGL-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]([NH2+]C[C@H](O)c1ccnn1C)[C@@H]1CCC[NH2+]1 ZINC000925889533 615535974 /nfs/dbraw/zinc/53/59/74/615535974.db2.gz KLZXBXRWUBZSAQ-MDZLAQPJSA-N 2 2 252.362 0.574 20 0 CCADLP CCS(=O)(=O)CC[NH2+]CCCNc1cccc[nH+]1 ZINC000819081331 615537354 /nfs/dbraw/zinc/53/73/54/615537354.db2.gz PYQWZNHVQGWSNV-UHFFFAOYSA-N 2 2 271.386 0.908 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903955730 615540384 /nfs/dbraw/zinc/54/03/84/615540384.db2.gz AUOQOWFMCMAQRE-NXEZZACHSA-N 2 2 284.372 0.644 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000908445027 615562513 /nfs/dbraw/zinc/56/25/13/615562513.db2.gz ZPJGTWIGBGUBDM-QKXCFHHRSA-N 2 2 295.427 0.818 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000908445027 615562514 /nfs/dbraw/zinc/56/25/14/615562514.db2.gz ZPJGTWIGBGUBDM-QKXCFHHRSA-N 2 2 295.427 0.818 20 0 CCADLP CC[C@H](C(=O)N1CC[C@H]([NH2+]C)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911656694 615564886 /nfs/dbraw/zinc/56/48/86/615564886.db2.gz POBRUASPSDIXBG-BFHYXJOUSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@H](C(=O)N1CC[C@H]([NH2+]C)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000911656694 615564887 /nfs/dbraw/zinc/56/48/87/615564887.db2.gz POBRUASPSDIXBG-BFHYXJOUSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1CC[NH+]1CC ZINC000890055624 615567618 /nfs/dbraw/zinc/56/76/18/615567618.db2.gz CAFMAEIREUVMQH-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1CC[NH+]1CC ZINC000890055624 615567619 /nfs/dbraw/zinc/56/76/19/615567619.db2.gz CAFMAEIREUVMQH-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CC[N@@H+]1CC ZINC000890055624 615567620 /nfs/dbraw/zinc/56/76/20/615567620.db2.gz CAFMAEIREUVMQH-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CC[N@H+]1CC ZINC000890055624 615567621 /nfs/dbraw/zinc/56/76/21/615567621.db2.gz CAFMAEIREUVMQH-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000875135445 615567935 /nfs/dbraw/zinc/56/79/35/615567935.db2.gz YEEJQJPWLGSFEJ-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000875135445 615567936 /nfs/dbraw/zinc/56/79/36/615567936.db2.gz YEEJQJPWLGSFEJ-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000875135445 615567937 /nfs/dbraw/zinc/56/79/37/615567937.db2.gz YEEJQJPWLGSFEJ-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000875135445 615567938 /nfs/dbraw/zinc/56/79/38/615567938.db2.gz YEEJQJPWLGSFEJ-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000877435183 615568269 /nfs/dbraw/zinc/56/82/69/615568269.db2.gz YUFGQGDYIKJNKQ-UPJWGTAASA-N 2 2 269.389 0.341 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000877435183 615568270 /nfs/dbraw/zinc/56/82/70/615568270.db2.gz YUFGQGDYIKJNKQ-UPJWGTAASA-N 2 2 269.389 0.341 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000877432416 615568607 /nfs/dbraw/zinc/56/86/07/615568607.db2.gz DGGZDEALHLSGQA-WCQYABFASA-N 2 2 269.389 0.354 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000877432416 615568608 /nfs/dbraw/zinc/56/86/08/615568608.db2.gz DGGZDEALHLSGQA-WCQYABFASA-N 2 2 269.389 0.354 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000874706671 615568743 /nfs/dbraw/zinc/56/87/43/615568743.db2.gz VLRBTDJJUGAPIZ-UKRRQHHQSA-N 2 2 295.427 0.840 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000874706671 615568744 /nfs/dbraw/zinc/56/87/44/615568744.db2.gz VLRBTDJJUGAPIZ-UKRRQHHQSA-N 2 2 295.427 0.840 20 0 CCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000874706671 615568745 /nfs/dbraw/zinc/56/87/45/615568745.db2.gz VLRBTDJJUGAPIZ-UKRRQHHQSA-N 2 2 295.427 0.840 20 0 CCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000874706671 615568746 /nfs/dbraw/zinc/56/87/46/615568746.db2.gz VLRBTDJJUGAPIZ-UKRRQHHQSA-N 2 2 295.427 0.840 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)C[NH+](CC)CC ZINC000928640263 615715069 /nfs/dbraw/zinc/71/50/69/615715069.db2.gz NROLGALIBYPENU-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP CC[C@H](CN1CCOCC1)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000925825465 615720445 /nfs/dbraw/zinc/72/04/45/615720445.db2.gz DTQWEPZHJCLJHZ-KFWWJZLASA-N 2 2 285.432 0.454 20 0 CCADLP CC[C@H](CO)Nc1cc(NCC[N@@H+]2CC[C@@H](O)C2)nc[nH+]1 ZINC000894782673 615738772 /nfs/dbraw/zinc/73/87/72/615738772.db2.gz WYVLJPDDYALGHY-VXGBXAGGSA-N 2 2 295.387 0.138 20 0 CCADLP CC[C@H](CO)Nc1cc(NCC[N@H+]2CC[C@@H](O)C2)nc[nH+]1 ZINC000894782673 615738773 /nfs/dbraw/zinc/73/87/73/615738773.db2.gz WYVLJPDDYALGHY-VXGBXAGGSA-N 2 2 295.387 0.138 20 0 CCADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923323030 615778724 /nfs/dbraw/zinc/77/87/24/615778724.db2.gz OZJYWJGOQLFTOU-CRWXNKLISA-N 3 2 278.400 0.933 20 0 CCADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923323030 615778727 /nfs/dbraw/zinc/77/87/27/615778727.db2.gz OZJYWJGOQLFTOU-CRWXNKLISA-N 3 2 278.400 0.933 20 0 CCADLP CC[C@H]([NH2+]C[C@@H](O)c1ccnn1C)[C@@H]1CCCC[NH2+]1 ZINC000925891931 615818582 /nfs/dbraw/zinc/81/85/82/615818582.db2.gz YVKYLMGEPFDNAJ-SGMGOOAPSA-N 2 2 266.389 0.964 20 0 CCADLP C[NH+](C)C1(CNC(=O)NC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000922990885 615848281 /nfs/dbraw/zinc/84/82/81/615848281.db2.gz QJJIYLTZFAEFBG-UHFFFAOYSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+](C)C1CC(NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000908014004 615854135 /nfs/dbraw/zinc/85/41/35/615854135.db2.gz YQFIAJQFQBCBRU-UHFFFAOYSA-N 2 2 276.384 0.971 20 0 CCADLP C[NH+](C)C1CC[NH+](C[C@](O)(C(N)=O)c2ccccc2)CC1 ZINC000851726003 615856965 /nfs/dbraw/zinc/85/69/65/615856965.db2.gz KPORKRNFNBXYRY-MRXNPFEDSA-N 2 2 291.395 0.386 20 0 CCADLP CN(CCC[NH+](C)C)C(=O)CNc1cccc[nH+]1 ZINC000901327629 615878146 /nfs/dbraw/zinc/87/81/46/615878146.db2.gz REZZPHASMPUUIV-UHFFFAOYSA-N 2 2 250.346 0.904 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc(F)n1 ZINC000855415349 615879963 /nfs/dbraw/zinc/87/99/63/615879963.db2.gz VWTVQBVEWBKHJD-UHFFFAOYSA-N 2 2 282.363 0.834 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc(F)n1 ZINC000855415349 615879966 /nfs/dbraw/zinc/87/99/66/615879966.db2.gz VWTVQBVEWBKHJD-UHFFFAOYSA-N 2 2 282.363 0.834 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCn1cc([C@@H]2CCCC[NH2+]2)nn1 ZINC000899730757 615880343 /nfs/dbraw/zinc/88/03/43/615880343.db2.gz NVPBETSATNCUDS-AWEZNQCLSA-N 3 2 294.447 0.976 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCn1cc([C@@H]2CCCC[NH2+]2)nn1 ZINC000899730757 615880346 /nfs/dbraw/zinc/88/03/46/615880346.db2.gz NVPBETSATNCUDS-AWEZNQCLSA-N 3 2 294.447 0.976 20 0 CCADLP CC[C@@H](C(=O)NCCC[NH3+])[N@@H+]1CCO[C@@H](CC)C1 ZINC000911648922 615918063 /nfs/dbraw/zinc/91/80/63/615918063.db2.gz XOZWFQFEVQEDAD-RYUDHWBXSA-N 2 2 257.378 0.341 20 0 CCADLP CC[C@@H](C(=O)NCCC[NH3+])[N@H+]1CCO[C@@H](CC)C1 ZINC000911648922 615918066 /nfs/dbraw/zinc/91/80/66/615918066.db2.gz XOZWFQFEVQEDAD-RYUDHWBXSA-N 2 2 257.378 0.341 20 0 CCADLP C[NH+](C)CCn1nccc1C(=O)N[C@H]1CCn2c[nH+]cc21 ZINC000912585143 615922610 /nfs/dbraw/zinc/92/26/10/615922610.db2.gz XYNKQUICIWMUOE-NSHDSACASA-N 2 2 288.355 0.516 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)CC1CC[NH+](C)CC1 ZINC000874707703 615922909 /nfs/dbraw/zinc/92/29/09/615922909.db2.gz NPZNOMXYRYNJRM-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)CC1CC[NH+](C)CC1 ZINC000874707703 615922910 /nfs/dbraw/zinc/92/29/10/615922910.db2.gz NPZNOMXYRYNJRM-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP CN(C)c1cc(Cn2cc(C[C@H]3CC[NH2+]C3)nn2)cc[nH+]1 ZINC000881365998 616006350 /nfs/dbraw/zinc/00/63/50/616006350.db2.gz RLWMNDLIDUTGSG-GFCCVEGCSA-N 2 2 286.383 0.939 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+](CCO[C@@H]2CCOC2)CC1 ZINC000929656855 616075823 /nfs/dbraw/zinc/07/58/23/616075823.db2.gz JGQJIOIFWMMCLM-OAHLLOKOSA-N 2 2 286.416 0.571 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+](CCO[C@@H]2CCOC2)CC1 ZINC000929656855 616075824 /nfs/dbraw/zinc/07/58/24/616075824.db2.gz JGQJIOIFWMMCLM-OAHLLOKOSA-N 2 2 286.416 0.571 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876894401 616076658 /nfs/dbraw/zinc/07/66/58/616076658.db2.gz OPTVLSTVNXNVMS-NEPJUHHUSA-N 2 2 268.336 0.679 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccnc(-c2nn[nH]n2)c1 ZINC000825937683 616076687 /nfs/dbraw/zinc/07/66/87/616076687.db2.gz HTJYXQLOQXGVCD-UHFFFAOYSA-N 2 2 298.354 0.980 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccnc(-c2nn[nH]n2)c1 ZINC000825937683 616076688 /nfs/dbraw/zinc/07/66/88/616076688.db2.gz HTJYXQLOQXGVCD-UHFFFAOYSA-N 2 2 298.354 0.980 20 0 CCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NC[C@@H]1CC[NH+]1C ZINC000925417894 616089262 /nfs/dbraw/zinc/08/92/62/616089262.db2.gz QQASVMNCJNIQNA-ZDUSSCGKSA-N 2 2 298.431 0.443 20 0 CCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NC[C@@H]1CC[NH+]1C ZINC000925417894 616089264 /nfs/dbraw/zinc/08/92/64/616089264.db2.gz QQASVMNCJNIQNA-ZDUSSCGKSA-N 2 2 298.431 0.443 20 0 CCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925417894 616089266 /nfs/dbraw/zinc/08/92/66/616089266.db2.gz QQASVMNCJNIQNA-ZDUSSCGKSA-N 2 2 298.431 0.443 20 0 CCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000925417894 616089268 /nfs/dbraw/zinc/08/92/68/616089268.db2.gz QQASVMNCJNIQNA-ZDUSSCGKSA-N 2 2 298.431 0.443 20 0 CCADLP C[N@H+](CCNC(=O)/C=C/C[NH+]1CCOCC1)C1CC1 ZINC000865003729 616090628 /nfs/dbraw/zinc/09/06/28/616090628.db2.gz OIHCEGBPSJXHGF-NSCUHMNNSA-N 2 2 267.373 0.085 20 0 CCADLP C[N@@H+](CCNC(=O)/C=C/C[NH+]1CCOCC1)C1CC1 ZINC000865003729 616090629 /nfs/dbraw/zinc/09/06/29/616090629.db2.gz OIHCEGBPSJXHGF-NSCUHMNNSA-N 2 2 267.373 0.085 20 0 CCADLP C[N@H+](C[C@H]1CCOC1)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972424820 616161496 /nfs/dbraw/zinc/16/14/96/616161496.db2.gz CPINVKARXCJXQF-OCCSQVGLSA-N 2 2 292.383 0.521 20 0 CCADLP C[N@@H+](C[C@H]1CCOC1)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972424820 616161497 /nfs/dbraw/zinc/16/14/97/616161497.db2.gz CPINVKARXCJXQF-OCCSQVGLSA-N 2 2 292.383 0.521 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCF)C2)CC1 ZINC000900672240 616171881 /nfs/dbraw/zinc/17/18/81/616171881.db2.gz AXFONQDVDHUJKC-NSHDSACASA-N 2 2 257.353 0.631 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCF)C2)CC1 ZINC000900672240 616171883 /nfs/dbraw/zinc/17/18/83/616171883.db2.gz AXFONQDVDHUJKC-NSHDSACASA-N 2 2 257.353 0.631 20 0 CCADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCOCC23CCCC3)CC1 ZINC000878321759 616173180 /nfs/dbraw/zinc/17/31/80/616173180.db2.gz AWCRVYNJGDJWJG-UHFFFAOYSA-N 2 2 295.427 0.842 20 0 CCADLP C[NH+]1CCC(NC(=O)C[N@H+]2CCOCC23CCCC3)CC1 ZINC000878321759 616173181 /nfs/dbraw/zinc/17/31/81/616173181.db2.gz AWCRVYNJGDJWJG-UHFFFAOYSA-N 2 2 295.427 0.842 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@H](O)C1(O)CCC1 ZINC000931623189 616200835 /nfs/dbraw/zinc/20/08/35/616200835.db2.gz WWWWAKVXFUFFIV-UPJWGTAASA-N 2 2 254.374 0.431 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@H](O)C1(O)CCC1 ZINC000931623189 616200836 /nfs/dbraw/zinc/20/08/36/616200836.db2.gz WWWWAKVXFUFFIV-UPJWGTAASA-N 2 2 254.374 0.431 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](O)C1(O)CCC1 ZINC000931623189 616200837 /nfs/dbraw/zinc/20/08/37/616200837.db2.gz WWWWAKVXFUFFIV-UPJWGTAASA-N 2 2 254.374 0.431 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@H](O)C1(O)CCC1 ZINC000931623189 616200838 /nfs/dbraw/zinc/20/08/38/616200838.db2.gz WWWWAKVXFUFFIV-UPJWGTAASA-N 2 2 254.374 0.431 20 0 CCADLP C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000908135502 616202374 /nfs/dbraw/zinc/20/23/74/616202374.db2.gz OPCUUMBKVOAVIM-IUODEOHRSA-N 2 2 292.383 0.161 20 0 CCADLP C[N@H+]1CCC[C@@](O)(CC(=O)N[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000908135502 616202375 /nfs/dbraw/zinc/20/23/75/616202375.db2.gz OPCUUMBKVOAVIM-IUODEOHRSA-N 2 2 292.383 0.161 20 0 CCADLP C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](O)c3c[nH+]c[nH]3)C2)C1 ZINC000868571660 616202933 /nfs/dbraw/zinc/20/29/33/616202933.db2.gz LKBGWCYOJYCRSV-GXTWGEPZSA-N 2 2 278.356 0.387 20 0 CCADLP C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](O)c3c[nH+]c[nH]3)C2)C1 ZINC000868571660 616202934 /nfs/dbraw/zinc/20/29/34/616202934.db2.gz LKBGWCYOJYCRSV-GXTWGEPZSA-N 2 2 278.356 0.387 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccc(O)c(F)c2)CC1 ZINC000892714760 616223464 /nfs/dbraw/zinc/22/34/64/616223464.db2.gz REFYWMWNBGZFQI-UHFFFAOYSA-N 2 2 281.331 0.395 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)CC1 ZINC000924840873 616223787 /nfs/dbraw/zinc/22/37/87/616223787.db2.gz XRBWJOCGTYWGJG-HOCLYGCPSA-N 2 2 295.427 0.555 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)[C@H](CO)C1 ZINC000912734925 616227263 /nfs/dbraw/zinc/22/72/63/616227263.db2.gz RSFSLSAFHQYWAQ-IHRRRGAJSA-N 2 2 281.400 0.138 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)[C@H](CO)C1 ZINC000912734925 616227264 /nfs/dbraw/zinc/22/72/64/616227264.db2.gz RSFSLSAFHQYWAQ-IHRRRGAJSA-N 2 2 281.400 0.138 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)[C@H](CO)C1 ZINC000912734925 616227265 /nfs/dbraw/zinc/22/72/65/616227265.db2.gz RSFSLSAFHQYWAQ-IHRRRGAJSA-N 2 2 281.400 0.138 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)[C@H](CO)C1 ZINC000912734925 616227266 /nfs/dbraw/zinc/22/72/66/616227266.db2.gz RSFSLSAFHQYWAQ-IHRRRGAJSA-N 2 2 281.400 0.138 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@H]2CC[NH+]2C2CCCC2)C[C@@H]1CO ZINC000913540302 616228598 /nfs/dbraw/zinc/22/85/98/616228598.db2.gz SHENQIQQKQGECF-ZIAGYGMSSA-N 2 2 281.400 0.138 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]2CC[NH+]2C2CCCC2)C[C@@H]1CO ZINC000913540302 616228599 /nfs/dbraw/zinc/22/85/99/616228599.db2.gz SHENQIQQKQGECF-ZIAGYGMSSA-N 2 2 281.400 0.138 20 0 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VQJUCFLGRIHVLG-UHFFFAOYSA-N 2 2 294.355 0.391 20 0 CCADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CN2CC3(COC3)CC2=O)C1 ZINC000872592596 616342162 /nfs/dbraw/zinc/34/21/62/616342162.db2.gz OVXBNFWMIMXJKS-UONOGXRCSA-N 2 2 293.411 0.609 20 0 CCADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CN2CC3(COC3)CC2=O)C1 ZINC000872592596 616342166 /nfs/dbraw/zinc/34/21/66/616342166.db2.gz OVXBNFWMIMXJKS-UONOGXRCSA-N 2 2 293.411 0.609 20 0 CCADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2CN2CC3(COC3)CC2=O)C1 ZINC000872592596 616342172 /nfs/dbraw/zinc/34/21/72/616342172.db2.gz OVXBNFWMIMXJKS-UONOGXRCSA-N 2 2 293.411 0.609 20 0 CCADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2CN2CC3(COC3)CC2=O)C1 ZINC000872592596 616342177 /nfs/dbraw/zinc/34/21/77/616342177.db2.gz OVXBNFWMIMXJKS-UONOGXRCSA-N 2 2 293.411 0.609 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C[C@@H]1CCC(=O)N1 ZINC000813324836 616348250 /nfs/dbraw/zinc/34/82/50/616348250.db2.gz BFUCALUVEBZNBU-MELADBBJSA-N 2 2 283.416 0.744 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C[C@@H]1CCC(=O)N1 ZINC000813324836 616348255 /nfs/dbraw/zinc/34/82/55/616348255.db2.gz BFUCALUVEBZNBU-MELADBBJSA-N 2 2 283.416 0.744 20 0 CCADLP COC/C=C\C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000865063973 616406515 /nfs/dbraw/zinc/40/65/15/616406515.db2.gz KMFBGYNAICFZBG-ARJAWSKDSA-N 2 2 295.427 0.864 20 0 CCADLP COC1(OC)CC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000926719955 616484611 /nfs/dbraw/zinc/48/46/11/616484611.db2.gz ZNTGRTIARGMGFK-UONOGXRCSA-N 2 2 284.400 0.981 20 0 CCADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000877247318 616519576 /nfs/dbraw/zinc/51/95/76/616519576.db2.gz IDHONWKBLXYJPM-BARDWOONSA-N 2 2 271.364 0.755 20 0 CCADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000877247318 616519579 /nfs/dbraw/zinc/51/95/79/616519579.db2.gz IDHONWKBLXYJPM-BARDWOONSA-N 2 2 271.364 0.755 20 0 CCADLP COCCOCCOCC[N@@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903862675 616551995 /nfs/dbraw/zinc/55/19/95/616551995.db2.gz BQLDDCWLRQYVRT-KBPBESRZSA-N 2 2 272.389 0.479 20 0 CCADLP COCCOCCOCC[N@H+]1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903862675 616551997 /nfs/dbraw/zinc/55/19/97/616551997.db2.gz BQLDDCWLRQYVRT-KBPBESRZSA-N 2 2 272.389 0.479 20 0 CCADLP COC(=O)[C@H](C1CC1)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879595834 616588669 /nfs/dbraw/zinc/58/86/69/616588669.db2.gz GIGBRINYDXKEHI-HNNXBMFYSA-N 2 2 295.427 0.650 20 0 CCADLP COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)C[N@H+](C)C1CCC1 ZINC000863908148 616613348 /nfs/dbraw/zinc/61/33/48/616613348.db2.gz NXNBHKOEXYJLPV-LBPRGKRZSA-N 2 2 294.355 0.025 20 0 CCADLP COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)C[N@@H+](C)C1CCC1 ZINC000863908148 616613350 /nfs/dbraw/zinc/61/33/50/616613350.db2.gz NXNBHKOEXYJLPV-LBPRGKRZSA-N 2 2 294.355 0.025 20 0 CCADLP COC[C@H](CCC[NH3+])[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000925810851 616640369 /nfs/dbraw/zinc/64/03/69/616640369.db2.gz GOJVYGLFUADWBN-LBPRGKRZSA-N 3 2 266.389 0.991 20 0 CCADLP COCC[C@H]([NH3+])C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000884204769 616679031 /nfs/dbraw/zinc/67/90/31/616679031.db2.gz DKAOECLKKVRDDD-NSHDSACASA-N 2 2 281.356 0.687 20 0 CCADLP COC[C@H](O)C[N@H+](CC[NH3+])CCc1ccccc1 ZINC000923353523 616733694 /nfs/dbraw/zinc/73/36/94/616733694.db2.gz ZDHAATAJJFVRSL-CQSZACIVSA-N 2 2 252.358 0.497 20 0 CCADLP COC[C@H](O)C[N@@H+](CC[NH3+])CCc1ccccc1 ZINC000923353523 616733696 /nfs/dbraw/zinc/73/36/96/616733696.db2.gz ZDHAATAJJFVRSL-CQSZACIVSA-N 2 2 252.358 0.497 20 0 CCADLP COC(=O)[C@](C)(Cn1cccn1)[NH2+]CC1CC[NH2+]CC1 ZINC000903864106 616750692 /nfs/dbraw/zinc/75/06/92/616750692.db2.gz RIBMRGMJRKRUNM-AWEZNQCLSA-N 2 2 280.372 0.404 20 0 CCADLP COCC1([N@H+](C)C[C@H](O)C[NH+](C)C2CC2)CCC1 ZINC000880185266 616782134 /nfs/dbraw/zinc/78/21/34/616782134.db2.gz KNRGGBHMTHPWRB-CYBMUJFWSA-N 2 2 256.390 0.942 20 0 CCADLP COCC1([N@@H+](C)C[C@H](O)C[NH+](C)C2CC2)CCC1 ZINC000880185266 616782137 /nfs/dbraw/zinc/78/21/37/616782137.db2.gz KNRGGBHMTHPWRB-CYBMUJFWSA-N 2 2 256.390 0.942 20 0 CCADLP COCC1([NH+](C)C[C@H](O)C[N@H+](C)C2CC2)CCC1 ZINC000880185266 616782140 /nfs/dbraw/zinc/78/21/40/616782140.db2.gz KNRGGBHMTHPWRB-CYBMUJFWSA-N 2 2 256.390 0.942 20 0 CCADLP COCC1([NH+](C)C[C@H](O)C[N@@H+](C)C2CC2)CCC1 ZINC000880185266 616782144 /nfs/dbraw/zinc/78/21/44/616782144.db2.gz KNRGGBHMTHPWRB-CYBMUJFWSA-N 2 2 256.390 0.942 20 0 CCADLP COCCN(C)C(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000871603089 616945835 /nfs/dbraw/zinc/94/58/35/616945835.db2.gz FCHXAXISCMSRDB-AWEZNQCLSA-N 2 2 299.463 0.361 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@]2(CO)CCC[C@@H]12 ZINC000886634758 616966628 /nfs/dbraw/zinc/96/66/28/616966628.db2.gz MIVRFZSCANYOJA-RBSFLKMASA-N 2 2 286.416 0.162 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@]2(CO)CCC[C@@H]12 ZINC000886634758 616966630 /nfs/dbraw/zinc/96/66/30/616966630.db2.gz MIVRFZSCANYOJA-RBSFLKMASA-N 2 2 286.416 0.162 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@]2(CO)CCC[C@@H]12 ZINC000886634758 616966633 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ZINC000925692003 625589845 /nfs/dbraw/zinc/58/98/45/625589845.db2.gz NZCPBKQCDAODOK-RYUDHWBXSA-N 2 2 274.430 0.931 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+]CCC2CC2)C1 ZINC001022775553 622743970 /nfs/dbraw/zinc/74/39/70/622743970.db2.gz XGMCGBQZKCIRGQ-TXEJJXNPSA-N 2 2 262.357 0.989 20 0 CCADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000224216743 622819729 /nfs/dbraw/zinc/81/97/29/622819729.db2.gz ZFQJMQPOXUIXAB-AGIUHOORSA-N 2 2 253.390 0.962 20 0 CCADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000224216743 622819731 /nfs/dbraw/zinc/81/97/31/622819731.db2.gz ZFQJMQPOXUIXAB-AGIUHOORSA-N 2 2 253.390 0.962 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC001023161397 622932121 /nfs/dbraw/zinc/93/21/21/622932121.db2.gz XXKPQGMFCZLIHM-MCIONIFRSA-N 2 2 292.383 0.547 20 0 CCADLP Cc1c[nH+]cn1CC(=O)OCCC[N@@H+]1CCO[C@@H](C)C1 ZINC000893388030 625645928 /nfs/dbraw/zinc/64/59/28/625645928.db2.gz XHEKFOWBLCWMFT-ZDUSSCGKSA-N 2 2 281.356 0.846 20 0 CCADLP Cc1c[nH+]cn1CC(=O)OCCC[N@H+]1CCO[C@@H](C)C1 ZINC000893388030 625645938 /nfs/dbraw/zinc/64/59/38/625645938.db2.gz XHEKFOWBLCWMFT-ZDUSSCGKSA-N 2 2 281.356 0.846 20 0 CCADLP C[C@@H](Cc1ccccn1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000926747385 623512987 /nfs/dbraw/zinc/51/29/87/623512987.db2.gz ASPZFGOFSOAJRT-ZFWWWQNUSA-N 2 2 290.411 0.942 20 0 CCADLP C[C@@H](Cc1ccccn1)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000926747385 623512992 /nfs/dbraw/zinc/51/29/92/623512992.db2.gz ASPZFGOFSOAJRT-ZFWWWQNUSA-N 2 2 290.411 0.942 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)N(C)[C@H]2CCC[NH+](C)C2)CCO1 ZINC000892596239 623573019 /nfs/dbraw/zinc/57/30/19/623573019.db2.gz ODJAEFKWABJVER-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)N(C)[C@H]2CCC[NH+](C)C2)CCO1 ZINC000892596239 623573024 /nfs/dbraw/zinc/57/30/24/623573024.db2.gz ODJAEFKWABJVER-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)N(C)[C@H]2CCC[N@H+](C)C2)CCO1 ZINC000892596239 623573029 /nfs/dbraw/zinc/57/30/29/623573029.db2.gz ODJAEFKWABJVER-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)N(C)[C@H]2CCC[N@@H+](C)C2)CCO1 ZINC000892596239 623573033 /nfs/dbraw/zinc/57/30/33/623573033.db2.gz ODJAEFKWABJVER-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP C[N@H+](CCOCC1CC1)C[C@@H](O)C[NH+]1CCCC1 ZINC000310910295 623592519 /nfs/dbraw/zinc/59/25/19/623592519.db2.gz DWQBINYIRBYZLP-CQSZACIVSA-N 2 2 256.390 0.802 20 0 CCADLP C[N@@H+](CCOCC1CC1)C[C@@H](O)C[NH+]1CCCC1 ZINC000310910295 623592523 /nfs/dbraw/zinc/59/25/23/623592523.db2.gz DWQBINYIRBYZLP-CQSZACIVSA-N 2 2 256.390 0.802 20 0 CCADLP C[N@@H+]1CCC[C@H]2C[NH+](CN3CCCC3=O)CC[C@@H]21 ZINC000164667800 623657701 /nfs/dbraw/zinc/65/77/01/623657701.db2.gz ZAKDJLQAZCJHDI-STQMWFEESA-N 2 2 251.374 0.982 20 0 CCADLP C[N@H+]1CCC[C@H]2C[NH+](CN3CCCC3=O)CC[C@@H]21 ZINC000164667800 623657717 /nfs/dbraw/zinc/65/77/17/623657717.db2.gz ZAKDJLQAZCJHDI-STQMWFEESA-N 2 2 251.374 0.982 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@H+](CN3CCCC3=O)CC[C@@H]21 ZINC000164667800 623657721 /nfs/dbraw/zinc/65/77/21/623657721.db2.gz ZAKDJLQAZCJHDI-STQMWFEESA-N 2 2 251.374 0.982 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@@H+](CN3CCCC3=O)CC[C@@H]21 ZINC000164667800 623657727 /nfs/dbraw/zinc/65/77/27/623657727.db2.gz ZAKDJLQAZCJHDI-STQMWFEESA-N 2 2 251.374 0.982 20 0 CCADLP CC(=O)NC1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000311832173 623803336 /nfs/dbraw/zinc/80/33/36/623803336.db2.gz FJCMINGCHAOWGF-CQSZACIVSA-N 2 2 269.389 0.044 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3csnn3)C2)C1 ZINC001019772964 623907507 /nfs/dbraw/zinc/90/75/07/623907507.db2.gz YDGZZTMBSVTQIS-QWRGUYRKSA-N 2 2 295.412 0.180 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3csnn3)C2)C1 ZINC001019772964 623907523 /nfs/dbraw/zinc/90/75/23/623907523.db2.gz YDGZZTMBSVTQIS-QWRGUYRKSA-N 2 2 295.412 0.180 20 0 CCADLP COc1nn(C)cc1C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000902453339 634389374 /nfs/dbraw/zinc/38/93/74/634389374.db2.gz AMMGQCVKMDKOIL-ZYHUDNBSSA-N 2 2 268.361 0.285 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902452135 634389614 /nfs/dbraw/zinc/38/96/14/634389614.db2.gz JDNBVWWBBQHQQU-NFIBXUFNSA-N 2 2 252.358 0.519 20 0 CCADLP O[C@H](CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)C1CC1 ZINC000902504655 634394508 /nfs/dbraw/zinc/39/45/08/634394508.db2.gz PPJIQECDDRDRKY-MCIONIFRSA-N 2 2 254.374 0.504 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccnc2)C1 ZINC001020929584 624626966 /nfs/dbraw/zinc/62/69/66/624626966.db2.gz CGGJOOLUXIZFND-HDJSIYSDSA-N 2 2 299.378 0.795 20 0 CCADLP Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)o1 ZINC000970712065 624737042 /nfs/dbraw/zinc/73/70/42/624737042.db2.gz KQFHOPIJZBDSQT-NWDGAFQWSA-N 2 2 293.371 0.020 20 0 CCADLP Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)o1 ZINC000970712065 624737059 /nfs/dbraw/zinc/73/70/59/624737059.db2.gz KQFHOPIJZBDSQT-NWDGAFQWSA-N 2 2 293.371 0.020 20 0 CCADLP Cc1cnc(C[NH2+][C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)o1 ZINC000970720459 624738007 /nfs/dbraw/zinc/73/80/07/624738007.db2.gz UDPILSCIPYMUBY-CYBMUJFWSA-N 2 2 292.383 0.769 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC000970857013 624771431 /nfs/dbraw/zinc/77/14/31/624771431.db2.gz XZFICDKAAYSUQM-KGLIPLIRSA-N 2 2 292.383 0.643 20 0 CCADLP OC1CC[NH+](CCCNc2nccn3c[nH+]cc23)CC1 ZINC000891904252 624991234 /nfs/dbraw/zinc/99/12/34/624991234.db2.gz GEZBWOJFAMMLED-UHFFFAOYSA-N 2 2 275.356 0.988 20 0 CCADLP C[C@H]1CCN(c2cc(N3CCOCC3)[nH+]cn2)[C@H](C[NH3+])C1 ZINC000957128445 625885520 /nfs/dbraw/zinc/88/55/20/625885520.db2.gz ONCLQUACXPMWSH-STQMWFEESA-N 2 2 291.399 0.877 20 0 CCADLP C[C@@H](O)C[N@H+](C)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001027515084 625932224 /nfs/dbraw/zinc/93/22/24/625932224.db2.gz TVXRMSILDMOTNR-ZIAGYGMSSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@@H](O)C[N@@H+](C)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001027515084 625932237 /nfs/dbraw/zinc/93/22/37/625932237.db2.gz TVXRMSILDMOTNR-ZIAGYGMSSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC[C@H]1CC(=O)N(C)C1 ZINC000903219233 634545802 /nfs/dbraw/zinc/54/58/02/634545802.db2.gz PLLQBHAAPZNQEG-MBNYWOFBSA-N 2 2 265.401 0.927 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC[C@H]1CC(=O)N(C)C1 ZINC000903219233 634545810 /nfs/dbraw/zinc/54/58/10/634545810.db2.gz PLLQBHAAPZNQEG-MBNYWOFBSA-N 2 2 265.401 0.927 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000903464838 634565225 /nfs/dbraw/zinc/56/52/25/634565225.db2.gz YHWDEESWSSBBRH-ILXRZTDVSA-N 3 2 269.433 0.885 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000903464838 634565230 /nfs/dbraw/zinc/56/52/30/634565230.db2.gz YHWDEESWSSBBRH-ILXRZTDVSA-N 3 2 269.433 0.885 20 0 CCADLP [NH3+]C[C@@H]1CCCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903713398 634633660 /nfs/dbraw/zinc/63/36/60/634633660.db2.gz PNGQIYZDTANBIO-KBPBESRZSA-N 3 2 267.417 0.958 20 0 CCADLP [NH3+]C[C@@H]1CCCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903713398 634633663 /nfs/dbraw/zinc/63/36/63/634633663.db2.gz PNGQIYZDTANBIO-KBPBESRZSA-N 3 2 267.417 0.958 20 0 CCADLP FCCn1cc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000903750248 634636508 /nfs/dbraw/zinc/63/65/08/634636508.db2.gz VWUTZNGYLCIWIX-CQSZACIVSA-N 2 2 281.379 0.332 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903764258 634641156 /nfs/dbraw/zinc/64/11/56/634641156.db2.gz QNVJKDJLWLTLEJ-GJZGRUSLSA-N 3 2 278.400 0.974 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903764258 634641161 /nfs/dbraw/zinc/64/11/61/634641161.db2.gz QNVJKDJLWLTLEJ-GJZGRUSLSA-N 3 2 278.400 0.974 20 0 CCADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C ZINC000903872701 634673167 /nfs/dbraw/zinc/67/31/67/634673167.db2.gz AGRNGFXCHRMSJK-SCRDCRAPSA-N 2 2 280.416 0.955 20 0 CCADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C ZINC000903872701 634673171 /nfs/dbraw/zinc/67/31/71/634673171.db2.gz AGRNGFXCHRMSJK-SCRDCRAPSA-N 2 2 280.416 0.955 20 0 CCADLP [NH3+][C@H](C[NH2+][C@H]1C[C@H]2CCCCN2C1=O)CC(F)F ZINC000903929603 634689620 /nfs/dbraw/zinc/68/96/20/634689620.db2.gz HGGIERYZLPIXJD-AEJSXWLSSA-N 2 2 261.316 0.712 20 0 CCADLP C[C@@H]1CC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCO1 ZINC000903987630 634704181 /nfs/dbraw/zinc/70/41/81/634704181.db2.gz IASPAWFACYJJDA-CHWSQXEVSA-N 2 2 279.388 0.813 20 0 CCADLP C[C@@H]1CC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCO1 ZINC000903987630 634704186 /nfs/dbraw/zinc/70/41/86/634704186.db2.gz IASPAWFACYJJDA-CHWSQXEVSA-N 2 2 279.388 0.813 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@H]([NH3+])C1 ZINC000905004786 634775878 /nfs/dbraw/zinc/77/58/78/634775878.db2.gz RTVMBPQJUZJBNA-QWRGUYRKSA-N 2 2 251.334 0.404 20 0 CCADLP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC[N@@H+](CCO)CC1 ZINC000981331269 631268695 /nfs/dbraw/zinc/26/86/95/631268695.db2.gz KUDLOYIAKISILE-ZDUSSCGKSA-N 2 2 292.383 0.287 20 0 CCADLP O=C([C@@H]1CCCc2[nH+]ccn21)N1CCC[N@H+](CCO)CC1 ZINC000981331269 631268704 /nfs/dbraw/zinc/26/87/04/631268704.db2.gz KUDLOYIAKISILE-ZDUSSCGKSA-N 2 2 292.383 0.287 20 0 CCADLP Cc1ncoc1C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001010382319 631368204 /nfs/dbraw/zinc/36/82/04/631368204.db2.gz HUAZJBBDFOJWGX-QWHCGFSZSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1ncoc1C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001010382319 631368210 /nfs/dbraw/zinc/36/82/10/631368210.db2.gz HUAZJBBDFOJWGX-QWHCGFSZSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1ncoc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010382319 631368220 /nfs/dbraw/zinc/36/82/20/631368220.db2.gz HUAZJBBDFOJWGX-QWHCGFSZSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1ncoc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010382319 631368231 /nfs/dbraw/zinc/36/82/31/631368231.db2.gz HUAZJBBDFOJWGX-QWHCGFSZSA-N 2 2 292.383 0.768 20 0 CCADLP c1nnnn1CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000877970905 631596888 /nfs/dbraw/zinc/59/68/88/631596888.db2.gz DADINLMDJZNCKB-UHFFFAOYSA-N 2 2 264.377 0.623 20 0 CCADLP Nc1cc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c(Cl)c[nH+]1 ZINC000894397594 631752547 /nfs/dbraw/zinc/75/25/47/631752547.db2.gz GITRQPWSZARPHF-SECBINFHSA-N 2 2 268.748 0.572 20 0 CCADLP Nc1cc(N2CC([N@H+]3CC[C@@H](O)C3)C2)c(Cl)c[nH+]1 ZINC000894397594 631752554 /nfs/dbraw/zinc/75/25/54/631752554.db2.gz GITRQPWSZARPHF-SECBINFHSA-N 2 2 268.748 0.572 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC[N@@H+]1C ZINC000928437156 631840398 /nfs/dbraw/zinc/84/03/98/631840398.db2.gz KGYZFMRDWIXTDW-MDZLAQPJSA-N 2 2 262.357 0.654 20 0 CCADLP C[C@H]1[C@H](NC(=O)CCCn2cc[nH+]c2)CC[N@@H+]1C ZINC000928440722 631846922 /nfs/dbraw/zinc/84/69/22/631846922.db2.gz CFMJTYMIQXEQQD-NWDGAFQWSA-N 2 2 250.346 0.872 20 0 CCADLP C[C@H]1[C@H](NC(=O)CCCn2cc[nH+]c2)CC[N@H+]1C ZINC000928440722 631846928 /nfs/dbraw/zinc/84/69/28/631846928.db2.gz CFMJTYMIQXEQQD-NWDGAFQWSA-N 2 2 250.346 0.872 20 0 CCADLP Cc1cc(NCC[N@@H+]2CCC3(C2)OCCO3)nc(C)[nH+]1 ZINC000895254350 632039456 /nfs/dbraw/zinc/03/94/56/632039456.db2.gz USAWCWCIJNIPHI-UHFFFAOYSA-N 2 2 278.356 0.954 20 0 CCADLP Cc1cc(NCC[N@H+]2CCC3(C2)OCCO3)nc(C)[nH+]1 ZINC000895254350 632039468 /nfs/dbraw/zinc/03/94/68/632039468.db2.gz USAWCWCIJNIPHI-UHFFFAOYSA-N 2 2 278.356 0.954 20 0 CCADLP NC(=O)c1c[nH+]ccc1N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000895567506 632103432 /nfs/dbraw/zinc/10/34/32/632103432.db2.gz QQPUXKQFWTTXNC-CHWSQXEVSA-N 2 2 292.408 0.594 20 0 CCADLP C[C@H]1[C@H](Nc2cc(-n3cccn3)nc(N)[nH+]2)CC[N@@H+]1C ZINC000895739520 632140140 /nfs/dbraw/zinc/14/01/40/632140140.db2.gz FTYDTTVPNATWJC-VHSXEESVSA-N 2 2 273.344 0.749 20 0 CCADLP C[C@H]1[C@H](Nc2cc(-n3cccn3)nc(N)[nH+]2)CC[N@H+]1C ZINC000895739520 632140145 /nfs/dbraw/zinc/14/01/45/632140145.db2.gz FTYDTTVPNATWJC-VHSXEESVSA-N 2 2 273.344 0.749 20 0 CCADLP C[C@H](O)CNc1cc(N[C@H]2CC[N@H+](C)[C@@H]2C)nc[nH+]1 ZINC000895740962 632141503 /nfs/dbraw/zinc/14/15/03/632141503.db2.gz VHHNGVCBVKLNNX-AXFHLTTASA-N 2 2 265.361 0.774 20 0 CCADLP C[C@H](O)CNc1cc(N[C@H]2CC[N@@H+](C)[C@@H]2C)nc[nH+]1 ZINC000895740962 632141507 /nfs/dbraw/zinc/14/15/07/632141507.db2.gz VHHNGVCBVKLNNX-AXFHLTTASA-N 2 2 265.361 0.774 20 0 CCADLP C[C@@H]1[C@H]([NH2+]CCO)CCN1C(=O)c1cccc2[nH+]ccn21 ZINC000986545477 632769287 /nfs/dbraw/zinc/76/92/87/632769287.db2.gz VRLBHVVVKXCUBE-VXGBXAGGSA-N 2 2 288.351 0.519 20 0 CCADLP C[C@H]1CC[N@H+](CCNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000897469642 633008523 /nfs/dbraw/zinc/00/85/23/633008523.db2.gz NWYIYXYATCREGI-NWDGAFQWSA-N 2 2 277.372 0.449 20 0 CCADLP C[C@H]1CC[N@@H+](CCNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000897469642 633008528 /nfs/dbraw/zinc/00/85/28/633008528.db2.gz NWYIYXYATCREGI-NWDGAFQWSA-N 2 2 277.372 0.449 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCCc2nnnn2C)C[N@@H+]1C1CC1 ZINC000898039859 633272321 /nfs/dbraw/zinc/27/23/21/633272321.db2.gz IKVUHECITSAFBL-QWRGUYRKSA-N 2 2 264.377 0.358 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCCc2nnnn2C)C[N@H+]1C1CC1 ZINC000898039859 633272324 /nfs/dbraw/zinc/27/23/24/633272324.db2.gz IKVUHECITSAFBL-QWRGUYRKSA-N 2 2 264.377 0.358 20 0 CCADLP CC(C)[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000989616616 633335550 /nfs/dbraw/zinc/33/55/50/633335550.db2.gz YDPNLJPHZGZIMB-MNOVXSKESA-N 2 2 250.346 0.940 20 0 CCADLP CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000989614172 633336066 /nfs/dbraw/zinc/33/60/66/633336066.db2.gz DBBRSLVORKHEPH-WDEREUQCSA-N 2 2 250.346 0.941 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CC2CC2)CN1C(=O)Cn1cc[nH+]c1 ZINC000989853876 633364685 /nfs/dbraw/zinc/36/46/85/633364685.db2.gz OCMBOMGHHHMSQN-AAEUAGOBSA-N 2 2 262.357 0.872 20 0 CCADLP CC(C)[NH2+]Cc1cn(CC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000111150288 633532470 /nfs/dbraw/zinc/53/24/70/633532470.db2.gz NPVUHDWSSDVVCZ-UHFFFAOYSA-N 3 2 282.436 0.660 20 0 CCADLP CC(C)[NH2+]Cc1cn(CC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000111150288 633532475 /nfs/dbraw/zinc/53/24/75/633532475.db2.gz NPVUHDWSSDVVCZ-UHFFFAOYSA-N 3 2 282.436 0.660 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC000899248839 633773126 /nfs/dbraw/zinc/77/31/26/633773126.db2.gz ZTEQLRIVYKJQDF-DYEKYZERSA-N 2 2 277.372 0.713 20 0 CCADLP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH+]1CCOCC1 ZINC000900594414 634049064 /nfs/dbraw/zinc/04/90/64/634049064.db2.gz QKSJFQMZQYBNAO-OLZOCXBDSA-N 2 2 281.400 0.308 20 0 CCADLP Cc1csc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)n1 ZINC000905293462 634834492 /nfs/dbraw/zinc/83/44/92/634834492.db2.gz JSNPLHYYHJBNNH-UHFFFAOYSA-N 2 2 283.401 0.996 20 0 CCADLP CCC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001009714190 650156252 /nfs/dbraw/zinc/15/62/52/650156252.db2.gz FWTRPXZOOVHKQU-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP CCC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001009714190 650156254 /nfs/dbraw/zinc/15/62/54/650156254.db2.gz FWTRPXZOOVHKQU-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[N@@H+](CCCF)C1 ZINC001009709886 650156091 /nfs/dbraw/zinc/15/60/91/650156091.db2.gz QTIYLIZBDCQJEA-GFCCVEGCSA-N 2 2 268.336 0.823 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[N@H+](CCCF)C1 ZINC001009709886 650156093 /nfs/dbraw/zinc/15/60/93/650156093.db2.gz QTIYLIZBDCQJEA-GFCCVEGCSA-N 2 2 268.336 0.823 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)CNc2cccc[nH+]2)[C@H](C)C1 ZINC000907520767 635152324 /nfs/dbraw/zinc/15/23/24/635152324.db2.gz ZQOBPYNVCSIBHD-CHWSQXEVSA-N 2 2 292.383 0.407 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)CNc2cccc[nH+]2)[C@H](C)C1 ZINC000907520767 635152328 /nfs/dbraw/zinc/15/23/28/635152328.db2.gz ZQOBPYNVCSIBHD-CHWSQXEVSA-N 2 2 292.383 0.407 20 0 CCADLP [NH3+][C@H](CC(=O)N(C1CC1)C1CC[NH2+]CC1)C(F)F ZINC000911677164 636337979 /nfs/dbraw/zinc/33/79/79/636337979.db2.gz MZIIZSZBUHXGKB-SNVBAGLBSA-N 2 2 261.316 0.712 20 0 CCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000911857421 636425956 /nfs/dbraw/zinc/42/59/56/636425956.db2.gz WHAGYEFNQYWHRH-XQQFMLRXSA-N 2 2 274.368 0.798 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CCCC[N@@H+]1C ZINC000911981425 636458208 /nfs/dbraw/zinc/45/82/08/636458208.db2.gz JTFGUPLENXVEIA-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CCCC[N@H+]1C ZINC000911981425 636458212 /nfs/dbraw/zinc/45/82/12/636458212.db2.gz JTFGUPLENXVEIA-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H](CC(=O)N(C)CC[N@H+](C)CCO)n1cc[nH+]c1 ZINC000912599601 636613183 /nfs/dbraw/zinc/61/31/83/636613183.db2.gz PIXKVFHJOYLALE-LBPRGKRZSA-N 2 2 268.361 0.217 20 0 CCADLP C[C@@H](CC(=O)N(C)CC[N@@H+](C)CCO)n1cc[nH+]c1 ZINC000912599601 636613185 /nfs/dbraw/zinc/61/31/85/636613185.db2.gz PIXKVFHJOYLALE-LBPRGKRZSA-N 2 2 268.361 0.217 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000912613859 636624310 /nfs/dbraw/zinc/62/43/10/636624310.db2.gz HLHBZODAKWNVHC-TUAOUCFPSA-N 2 2 280.372 0.443 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000912613859 636624315 /nfs/dbraw/zinc/62/43/15/636624315.db2.gz HLHBZODAKWNVHC-TUAOUCFPSA-N 2 2 280.372 0.443 20 0 CCADLP O=C(CNc1cccc[nH+]1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912904107 636707936 /nfs/dbraw/zinc/70/79/36/636707936.db2.gz WDAVXRMVMCFJPE-GFCCVEGCSA-N 2 2 260.341 0.800 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913448701 636817647 /nfs/dbraw/zinc/81/76/47/636817647.db2.gz XRDIRPCXPQYITG-BZPMIXESSA-N 2 2 291.399 0.755 20 0 CCADLP C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@@H+]1CCCO ZINC000947860953 636884743 /nfs/dbraw/zinc/88/47/43/636884743.db2.gz CDERTGPLBGYEFM-NWDGAFQWSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@H+]1CCCO ZINC000947860953 636884747 /nfs/dbraw/zinc/88/47/47/636884747.db2.gz CDERTGPLBGYEFM-NWDGAFQWSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H](O)C[NH2+]C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000991902093 637169064 /nfs/dbraw/zinc/16/90/64/637169064.db2.gz RHOBNAIKBAIAIO-NSHDSACASA-N 2 2 280.372 0.304 20 0 CCADLP O[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccsc1 ZINC000231982206 637239488 /nfs/dbraw/zinc/23/94/88/637239488.db2.gz OYCDUKKQLYTVCY-STQMWFEESA-N 2 2 270.398 0.828 20 0 CCADLP O=C(NC12CC[NH+](CC1)C2)[C@H]1CCc2[nH+]ccn2C1 ZINC000913629112 637390153 /nfs/dbraw/zinc/39/01/53/637390153.db2.gz WWNAVFGRHMETDA-NSHDSACASA-N 2 2 260.341 0.410 20 0 CCADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]CC1CC1 ZINC000939413612 638362089 /nfs/dbraw/zinc/36/20/89/638362089.db2.gz OFJCYJRFSUBLDI-JQWIXIFHSA-N 2 2 262.357 0.799 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@H+](CCO)CC1(C)C ZINC000941167350 638518467 /nfs/dbraw/zinc/51/84/67/638518467.db2.gz URAUXTIQKJGNMI-ZDUSSCGKSA-N 2 2 294.399 0.172 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](CCO)CC1(C)C ZINC000941167350 638518471 /nfs/dbraw/zinc/51/84/71/638518471.db2.gz URAUXTIQKJGNMI-ZDUSSCGKSA-N 2 2 294.399 0.172 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@H]1C ZINC000942518851 638660204 /nfs/dbraw/zinc/66/02/04/638660204.db2.gz YHNIBNYBIAJODV-DGCLKSJQSA-N 2 2 282.363 0.988 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CCF)C[C@H]1C ZINC000942518851 638660212 /nfs/dbraw/zinc/66/02/12/638660212.db2.gz YHNIBNYBIAJODV-DGCLKSJQSA-N 2 2 282.363 0.988 20 0 CCADLP CC1(C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1[NH2+]CCO ZINC000995743234 638799976 /nfs/dbraw/zinc/79/99/76/638799976.db2.gz CZGOABCNUVHYAK-NSHDSACASA-N 2 2 280.372 0.161 20 0 CCADLP CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC1(C)C ZINC000996514483 638821260 /nfs/dbraw/zinc/82/12/60/638821260.db2.gz NLNCCHXFIGDHRX-GFCCVEGCSA-N 2 2 264.373 0.809 20 0 CCADLP C[C@@H](O)C[NH2+]C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000997083173 638851398 /nfs/dbraw/zinc/85/13/98/638851398.db2.gz HXSBKLKKYMCQDE-NWDGAFQWSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@@H](O)C[NH2+]C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000997083173 638851399 /nfs/dbraw/zinc/85/13/99/638851399.db2.gz HXSBKLKKYMCQDE-NWDGAFQWSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@@H](CC(=O)N1CCC[C@H]([NH2+]CCO)C1)n1cc[nH+]c1 ZINC001000336682 639073274 /nfs/dbraw/zinc/07/32/74/639073274.db2.gz OCDMASQBOOZLTG-STQMWFEESA-N 2 2 280.372 0.407 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]([NH2+]CCF)C1 ZINC001000799282 639168806 /nfs/dbraw/zinc/16/88/06/639168806.db2.gz YHSBKAXTIYNKKZ-NSHDSACASA-N 2 2 268.336 0.811 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016398127 639551197 /nfs/dbraw/zinc/55/11/97/639551197.db2.gz RHEPBGLNPJWHCB-VXGBXAGGSA-N 2 2 266.345 0.109 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016398127 639551201 /nfs/dbraw/zinc/55/12/01/639551201.db2.gz RHEPBGLNPJWHCB-VXGBXAGGSA-N 2 2 266.345 0.109 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCF)C1 ZINC001014965530 650508699 /nfs/dbraw/zinc/50/86/99/650508699.db2.gz URKLALPHMNLWMA-NWDGAFQWSA-N 2 2 257.353 0.631 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCF)C1 ZINC001014965530 650508700 /nfs/dbraw/zinc/50/87/00/650508700.db2.gz URKLALPHMNLWMA-NWDGAFQWSA-N 2 2 257.353 0.631 20 0 CCADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCF)C1 ZINC001014965530 650508703 /nfs/dbraw/zinc/50/87/03/650508703.db2.gz URKLALPHMNLWMA-NWDGAFQWSA-N 2 2 257.353 0.631 20 0 CCADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CCF)C1 ZINC001014965530 650508705 /nfs/dbraw/zinc/50/87/05/650508705.db2.gz URKLALPHMNLWMA-NWDGAFQWSA-N 2 2 257.353 0.631 20 0 CCADLP COC[C@H](C)[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001004254334 639733945 /nfs/dbraw/zinc/73/39/45/639733945.db2.gz WLWWZPZWBMHIIN-LBPRGKRZSA-N 2 2 280.372 0.499 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CNC(=O)C2)C[N@@H+]1C1CC1 ZINC000922780855 639784160 /nfs/dbraw/zinc/78/41/60/639784160.db2.gz MATLZJRBGXTQBQ-WOPDTQHZSA-N 2 2 251.374 0.727 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CNC(=O)C2)C[N@H+]1C1CC1 ZINC000922780855 639784169 /nfs/dbraw/zinc/78/41/69/639784169.db2.gz MATLZJRBGXTQBQ-WOPDTQHZSA-N 2 2 251.374 0.727 20 0 CCADLP Cn1cc([C@H]2C[N@H+](C[C@H]3CC4(C[NH2+]C4)CO3)CCO2)cn1 ZINC000923324146 640086961 /nfs/dbraw/zinc/08/69/61/640086961.db2.gz BVYSOUALBAWEKH-ZIAGYGMSSA-N 2 2 292.383 0.172 20 0 CCADLP Cn1cc([C@H]2C[N@@H+](C[C@H]3CC4(C[NH2+]C4)CO3)CCO2)cn1 ZINC000923324146 640086967 /nfs/dbraw/zinc/08/69/67/640086967.db2.gz BVYSOUALBAWEKH-ZIAGYGMSSA-N 2 2 292.383 0.172 20 0 CCADLP O[C@@H](Cn1cccn1)C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000923382080 640112129 /nfs/dbraw/zinc/11/21/29/640112129.db2.gz XKICVELSRLHULE-OLZOCXBDSA-N 2 2 250.346 0.072 20 0 CCADLP O[C@@H](Cn1cccn1)C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000923382080 640112135 /nfs/dbraw/zinc/11/21/35/640112135.db2.gz XKICVELSRLHULE-OLZOCXBDSA-N 2 2 250.346 0.072 20 0 CCADLP C[C@H]([NH3+])C[N@H+](C)C[C@H](O)COc1ccccc1F ZINC000923410191 640128168 /nfs/dbraw/zinc/12/81/68/640128168.db2.gz LCLQTBRTPLPQBA-QWRGUYRKSA-N 2 2 256.321 0.844 20 0 CCADLP C[C@H]([NH3+])C[N@@H+](C)C[C@H](O)COc1ccccc1F ZINC000923410191 640128173 /nfs/dbraw/zinc/12/81/73/640128173.db2.gz LCLQTBRTPLPQBA-QWRGUYRKSA-N 2 2 256.321 0.844 20 0 CCADLP OCC[NH2+]C1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000923413919 640129367 /nfs/dbraw/zinc/12/93/67/640129367.db2.gz RPTPTWUUODWUBZ-OAHLLOKOSA-N 2 2 294.395 0.473 20 0 CCADLP Cn1nnnc1C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923508892 640172663 /nfs/dbraw/zinc/17/26/63/640172663.db2.gz XEZHRBPIOCDNOJ-LBPRGKRZSA-N 2 2 278.404 0.812 20 0 CCADLP O=C(C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)NCc1ccccc1F ZINC000923521074 640174755 /nfs/dbraw/zinc/17/47/55/640174755.db2.gz ZHBNXQBPODBROG-UONOGXRCSA-N 2 2 291.370 0.983 20 0 CCADLP O=C(C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)NCc1ccccc1F ZINC000923521074 640174763 /nfs/dbraw/zinc/17/47/63/640174763.db2.gz ZHBNXQBPODBROG-UONOGXRCSA-N 2 2 291.370 0.983 20 0 CCADLP Cc1cc(C)cc([C@@H](O)C[NH2+]C[C@@H](O)C[NH+](C)C)c1 ZINC000843062265 640365734 /nfs/dbraw/zinc/36/57/34/640365734.db2.gz NRRBEVZZEYTMFP-CABCVRRESA-N 2 2 266.385 0.849 20 0 CCADLP O=C1CC[C@H]([N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)C(=O)N1 ZINC000799119947 640544626 /nfs/dbraw/zinc/54/46/26/640544626.db2.gz HHKQRLVRLRTKEA-QWRGUYRKSA-N 2 2 262.313 0.325 20 0 CCADLP O=C1CC[C@H]([N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C(=O)N1 ZINC000799119947 640544630 /nfs/dbraw/zinc/54/46/30/640544630.db2.gz HHKQRLVRLRTKEA-QWRGUYRKSA-N 2 2 262.313 0.325 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH+]1CCCCC1 ZINC000816823002 641218026 /nfs/dbraw/zinc/21/80/26/641218026.db2.gz DYBPRSNDUBOVOG-UHFFFAOYSA-N 2 2 250.346 0.944 20 0 CCADLP Cc1ccc([C@H](O)C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)o1 ZINC000817912402 641277957 /nfs/dbraw/zinc/27/79/57/641277957.db2.gz GTQLXCPNQBEJLF-KGYLQXTDSA-N 2 2 268.357 0.978 20 0 CCADLP Cc1ccc([C@H](O)C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)o1 ZINC000817914069 641280123 /nfs/dbraw/zinc/28/01/23/641280123.db2.gz UAFWBKUCUVSZHS-BPLDGKMQSA-N 2 2 280.368 0.978 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cnnn1C ZINC000820809673 641536682 /nfs/dbraw/zinc/53/66/82/641536682.db2.gz GHGHZYYJEJBHCZ-NWDGAFQWSA-N 2 2 294.403 0.053 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cnnn1C ZINC000820809673 641536685 /nfs/dbraw/zinc/53/66/85/641536685.db2.gz GHGHZYYJEJBHCZ-NWDGAFQWSA-N 2 2 294.403 0.053 20 0 CCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C[NH+]1CCCC1 ZINC000822870319 641709422 /nfs/dbraw/zinc/70/94/22/641709422.db2.gz CLQHKLFZBDOANB-KBPBESRZSA-N 2 2 281.400 0.404 20 0 CCADLP O=C(N1CCC(c2[nH]cc[nH+]2)CC1)[C@]1(F)CC[NH2+]C1 ZINC000827980162 642057309 /nfs/dbraw/zinc/05/73/09/642057309.db2.gz JRNAZIYGGHSTRQ-ZDUSSCGKSA-N 2 2 266.320 0.817 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@]2(F)CC[NH2+]C2)C[C@H](C)O1 ZINC000831938877 642413212 /nfs/dbraw/zinc/41/32/12/642413212.db2.gz CZOQBJAUGMLWKD-MBNYWOFBSA-N 2 2 287.379 0.256 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@]2(F)CC[NH2+]C2)C[C@H](C)O1 ZINC000831938877 642413213 /nfs/dbraw/zinc/41/32/13/642413213.db2.gz CZOQBJAUGMLWKD-MBNYWOFBSA-N 2 2 287.379 0.256 20 0 CCADLP C[C@@H](O)C[NH+]1CCC2(C[C@H]2NC(=O)Cn2cc[nH+]c2)CC1 ZINC001016996031 650775860 /nfs/dbraw/zinc/77/58/60/650775860.db2.gz XYGRMLAUFBGIMW-CHWSQXEVSA-N 2 2 292.383 0.235 20 0 CCADLP O[C@@H](C[NH2+]C[C@H](O)c1ccc(F)cn1)C[NH+]1CCCCC1 ZINC000843061446 642983673 /nfs/dbraw/zinc/98/36/73/642983673.db2.gz GSTNSHOHMCUNAA-ZFWWWQNUSA-N 2 2 297.374 0.691 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)Nc2ccc(O)cc2)C1 ZINC000843364675 643038591 /nfs/dbraw/zinc/03/85/91/643038591.db2.gz PSHCEWQOTDCCGO-WDEREUQCSA-N 2 2 263.341 1.000 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(O)cc2)C1 ZINC000843364675 643038592 /nfs/dbraw/zinc/03/85/92/643038592.db2.gz PSHCEWQOTDCCGO-WDEREUQCSA-N 2 2 263.341 1.000 20 0 CCADLP C[N@H+](CC(F)F)C1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000844188369 643175635 /nfs/dbraw/zinc/17/56/35/643175635.db2.gz ROJAYFDDRKMXOT-UHFFFAOYSA-N 2 2 263.332 0.912 20 0 CCADLP C[N@@H+](CC(F)F)C1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000844188369 643175640 /nfs/dbraw/zinc/17/56/40/643175640.db2.gz ROJAYFDDRKMXOT-UHFFFAOYSA-N 2 2 263.332 0.912 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000848722507 643671632 /nfs/dbraw/zinc/67/16/32/643671632.db2.gz STFDFLONCVNHQP-USWWRNFRSA-N 2 2 253.346 0.557 20 0 CCADLP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH+]1CCSCC1 ZINC000849133363 643709740 /nfs/dbraw/zinc/70/97/40/643709740.db2.gz SYHWCLTYEPMYPL-NSHDSACASA-N 2 2 267.402 0.751 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)Nc1cc[nH+]c(CO)c1 ZINC000858399487 644615487 /nfs/dbraw/zinc/61/54/87/644615487.db2.gz GZWHDOUTHPFAON-GFCCVEGCSA-N 2 2 264.373 0.622 20 0 CCADLP C[S@](=O)CC[NH+]1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000858421352 644618353 /nfs/dbraw/zinc/61/83/53/644618353.db2.gz VWWPZPLUGSLPNN-IBGZPJMESA-N 2 2 283.397 0.074 20 0 CCADLP Cc1c[nH+]cn1CC(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000860719136 644823452 /nfs/dbraw/zinc/82/34/52/644823452.db2.gz OZLUZNLGPXUTML-LLVKDONJSA-N 2 2 255.293 0.779 20 0 CCADLP Cc1c[nH+]cn1CC(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000860719136 644823457 /nfs/dbraw/zinc/82/34/57/644823457.db2.gz OZLUZNLGPXUTML-LLVKDONJSA-N 2 2 255.293 0.779 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000861633344 644900411 /nfs/dbraw/zinc/90/04/11/644900411.db2.gz NUGKTLAICQCFPU-OKILXGFUSA-N 2 2 277.372 0.561 20 0 CCADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CC[C@H]([NH2+]CCF)C1 ZINC001019365676 650966272 /nfs/dbraw/zinc/96/62/72/650966272.db2.gz MHLANYMSWMDMCW-QWRGUYRKSA-N 2 2 280.347 0.990 20 0 CCADLP Cc1nocc1C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001019436028 650973185 /nfs/dbraw/zinc/97/31/85/650973185.db2.gz QCZPOCCWIYQANG-LBPRGKRZSA-N 2 2 289.339 0.639 20 0 CCADLP C[C@@H]1C[C@@H]1NC(=[NH2+])NCc1c[nH+]c(N(C)C)n1C ZINC000864458246 645229284 /nfs/dbraw/zinc/22/92/84/645229284.db2.gz JVFCNUSNLHUYMM-SCZZXKLOSA-N 2 2 250.350 0.508 20 0 CCADLP C[C@H]1C[C@@H]1NC(=[NH2+])NCc1c[nH+]c(N(C)C)n1C ZINC000864458249 645230323 /nfs/dbraw/zinc/23/03/23/645230323.db2.gz JVFCNUSNLHUYMM-WPRPVWTQSA-N 2 2 250.350 0.508 20 0 CCADLP CC(C)[N@H+](C)CCCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864858714 645294871 /nfs/dbraw/zinc/29/48/71/645294871.db2.gz NHJMEBZXPMUGLO-GQCTYLIASA-N 2 2 283.416 0.721 20 0 CCADLP CC(C)[N@@H+](C)CCCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864858714 645294875 /nfs/dbraw/zinc/29/48/75/645294875.db2.gz NHJMEBZXPMUGLO-GQCTYLIASA-N 2 2 283.416 0.721 20 0 CCADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000864905299 645303041 /nfs/dbraw/zinc/30/30/41/645303041.db2.gz BJNITSLADPZJMC-KPDCFJMOSA-N 2 2 293.411 0.618 20 0 CCADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000864905299 645303044 /nfs/dbraw/zinc/30/30/44/645303044.db2.gz BJNITSLADPZJMC-KPDCFJMOSA-N 2 2 293.411 0.618 20 0 CCADLP C[C@@H](CNC(=O)/C=C/C[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000864931103 645305378 /nfs/dbraw/zinc/30/53/78/645305378.db2.gz IWUYDQSCXNOQNE-RGDDUWESSA-N 2 2 295.427 0.723 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000865343040 645355730 /nfs/dbraw/zinc/35/57/30/645355730.db2.gz GVMQAYMCZXAUJU-LKSINWNRSA-N 2 2 277.372 0.937 20 0 CCADLP Cc1[nH+]ccn1CC[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000865439302 645366950 /nfs/dbraw/zinc/36/69/50/645366950.db2.gz SBHIHAGHAKMJDC-AWEZNQCLSA-N 2 2 290.371 0.752 20 0 CCADLP O=c1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c[nH]1 ZINC000865451292 645368163 /nfs/dbraw/zinc/36/81/63/645368163.db2.gz XKZJCAPIYAHGHE-STQMWFEESA-N 2 2 263.341 0.740 20 0 CCADLP O=c1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c[nH]1 ZINC000865451292 645368166 /nfs/dbraw/zinc/36/81/66/645368166.db2.gz XKZJCAPIYAHGHE-STQMWFEESA-N 2 2 263.341 0.740 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC001019868878 651011858 /nfs/dbraw/zinc/01/18/58/651011858.db2.gz MEIYEZXGDJKMJF-KGLIPLIRSA-N 2 2 292.383 0.500 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H](C)O)C1 ZINC001020286895 651056268 /nfs/dbraw/zinc/05/62/68/651056268.db2.gz NZEAIWXHGGSTMD-DRZSPHRISA-N 2 2 293.367 0.250 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870864439 646029187 /nfs/dbraw/zinc/02/91/87/646029187.db2.gz BHBLQOLLXSSVHF-DCBWTQNWSA-N 2 2 262.357 0.920 20 0 CCADLP COC(OC)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000874459971 646467237 /nfs/dbraw/zinc/46/72/37/646467237.db2.gz RGRHXPIYFMUYMT-CYBMUJFWSA-N 2 2 299.415 0.232 20 0 CCADLP COC(OC)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000874459971 646467239 /nfs/dbraw/zinc/46/72/39/646467239.db2.gz RGRHXPIYFMUYMT-CYBMUJFWSA-N 2 2 299.415 0.232 20 0 CCADLP O=C(C[NH+]1CCCC1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000874453741 646467947 /nfs/dbraw/zinc/46/79/47/646467947.db2.gz ONWWYGIHZYQKJE-OAHLLOKOSA-N 2 2 295.427 0.796 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000874830304 646489082 /nfs/dbraw/zinc/48/90/82/646489082.db2.gz QQANWRYMSMCTQB-QWHCGFSZSA-N 2 2 262.357 0.956 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000874830304 646489085 /nfs/dbraw/zinc/48/90/85/646489085.db2.gz QQANWRYMSMCTQB-QWHCGFSZSA-N 2 2 262.357 0.956 20 0 CCADLP C[C@H](NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000876755699 646658364 /nfs/dbraw/zinc/65/83/64/646658364.db2.gz LXSOXPQYWPNUPL-WUHRBBMRSA-N 2 2 287.379 0.159 20 0 CCADLP C[C@H](NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)[C@H](C)[NH+]1CCOCC1 ZINC000876756573 646658468 /nfs/dbraw/zinc/65/84/68/646658468.db2.gz VMXMQOFRMYEBLT-NAKRPEOUSA-N 2 2 291.342 0.052 20 0 CCADLP [NH3+][C@@H]1CCCC[C@H]1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876932269 646700078 /nfs/dbraw/zinc/70/00/78/646700078.db2.gz IGPHMFPKZFAHJL-WKSPHBBESA-N 2 2 267.373 0.261 20 0 CCADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000877006243 646715220 /nfs/dbraw/zinc/71/52/20/646715220.db2.gz YVMNYVFZZAVKGK-GIDQFRGBSA-N 2 2 279.384 0.276 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC[NH2+]CC1 ZINC000877254130 646770194 /nfs/dbraw/zinc/77/01/94/646770194.db2.gz OMGFVKCSAUEJSW-AAEUAGOBSA-N 2 2 276.384 0.950 20 0 CCADLP O=C(N[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1CCc2[nH+]ccn2C1 ZINC000877388147 646808596 /nfs/dbraw/zinc/80/85/96/646808596.db2.gz WIXIXWYCKJECFW-ZOWXZIJZSA-N 2 2 274.368 0.846 20 0 CCADLP O[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1O ZINC000877749045 646838471 /nfs/dbraw/zinc/83/84/71/646838471.db2.gz RFDXAOQZLCAIEF-CABCVRRESA-N 2 2 273.336 0.800 20 0 CCADLP O[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1O ZINC000877749045 646838472 /nfs/dbraw/zinc/83/84/72/646838472.db2.gz RFDXAOQZLCAIEF-CABCVRRESA-N 2 2 273.336 0.800 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC000879941087 647130833 /nfs/dbraw/zinc/13/08/33/647130833.db2.gz SPWGBAXBHRASSG-UONOGXRCSA-N 2 2 297.424 0.948 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC000879941087 647130836 /nfs/dbraw/zinc/13/08/36/647130836.db2.gz SPWGBAXBHRASSG-UONOGXRCSA-N 2 2 297.424 0.948 20 0 CCADLP Cn1nnnc1CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880570377 647232626 /nfs/dbraw/zinc/23/26/26/647232626.db2.gz VJIOFQIEHMPXSQ-CQSZACIVSA-N 2 2 297.366 0.980 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc3oc(=O)oc3c2)C1 ZINC000883088952 647487736 /nfs/dbraw/zinc/48/77/36/647487736.db2.gz WBXKCEOCJQCLTH-AWEZNQCLSA-N 2 2 278.308 0.542 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc3oc(=O)oc3c2)C1 ZINC000883088952 647487739 /nfs/dbraw/zinc/48/77/39/647487739.db2.gz WBXKCEOCJQCLTH-AWEZNQCLSA-N 2 2 278.308 0.542 20 0 CCADLP Cc1cc(CNC(=O)C(=O)NCCC(C)(C)[NH3+])cc(C)[nH+]1 ZINC000884727280 647801763 /nfs/dbraw/zinc/80/17/63/647801763.db2.gz PSFIDZYQKJDABM-UHFFFAOYSA-N 2 2 292.383 0.558 20 0 CCADLP O=S(=O)(CCn1cc[nH+]c1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884959245 647818239 /nfs/dbraw/zinc/81/82/39/647818239.db2.gz KIGKWKMSUGEEDT-CHWSQXEVSA-N 2 2 298.412 0.429 20 0 CCADLP O=S(=O)(CCn1cc[nH+]c1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000884959245 647818241 /nfs/dbraw/zinc/81/82/41/647818241.db2.gz KIGKWKMSUGEEDT-CHWSQXEVSA-N 2 2 298.412 0.429 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](C[C@@](C)(O)C(F)F)CC1 ZINC000886081504 647897368 /nfs/dbraw/zinc/89/73/68/647897368.db2.gz QWXYOEDRIUCCBL-GFCCVEGCSA-N 2 2 274.315 0.558 20 0 CCADLP OC[C@H](C[C@H]1CCCO1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000886670298 647997311 /nfs/dbraw/zinc/99/73/11/647997311.db2.gz MPYNZTJSGFUTTK-ARFHVFGLSA-N 2 2 298.427 0.759 20 0 CCADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1[C@@H]1CCNC1=O ZINC000887132598 648071904 /nfs/dbraw/zinc/07/19/04/648071904.db2.gz IZZBQEZTCDMSCM-WCQYABFASA-N 2 2 260.341 0.481 20 0 CCADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1[C@@H]1CCNC1=O ZINC000887132598 648071907 /nfs/dbraw/zinc/07/19/07/648071907.db2.gz IZZBQEZTCDMSCM-WCQYABFASA-N 2 2 260.341 0.481 20 0 CCADLP C[C@H]1CC2(CC([NH2+]CC(=O)N3CC[NH+](C)CC3)C2)CO1 ZINC000924839406 648383042 /nfs/dbraw/zinc/38/30/42/648383042.db2.gz MLGRYKTZVJJUQQ-OPFPJEHXSA-N 2 2 281.400 0.308 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925494538 648438877 /nfs/dbraw/zinc/43/88/77/648438877.db2.gz KLPQWTXMWBYGNR-MGPQQGTHSA-N 3 2 294.443 0.433 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000925494538 648438880 /nfs/dbraw/zinc/43/88/80/648438880.db2.gz KLPQWTXMWBYGNR-MGPQQGTHSA-N 3 2 294.443 0.433 20 0 CCADLP O=C(NCC[NH2+][C@H]1CC[NH2+]C12CCCC2)C1CC1 ZINC000925509333 648439687 /nfs/dbraw/zinc/43/96/87/648439687.db2.gz LRUDJMAWHQGNGT-LBPRGKRZSA-N 2 2 251.374 0.777 20 0 CCADLP Cn1cc([C@H](O)C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cn1 ZINC000925518196 648440961 /nfs/dbraw/zinc/44/09/61/648440961.db2.gz QAGNVQVREYFBLY-CHWSQXEVSA-N 2 2 264.373 0.718 20 0 CCADLP c1c(CN[C@H]2C[NH2+]CCOC2)[nH+]c2n1CCCC2 ZINC000925573409 648443806 /nfs/dbraw/zinc/44/38/06/648443806.db2.gz ACFZJHYEHNLASM-LBPRGKRZSA-N 2 2 250.346 0.297 20 0 CCADLP C[C@]1(C[NH2+][C@@H]2C[NH2+]CCOC2)CCO[C@H]1C1CC1 ZINC000925639605 648449445 /nfs/dbraw/zinc/44/94/45/648449445.db2.gz CVNWZWTWAAXGCH-HZSPNIEDSA-N 2 2 254.374 0.770 20 0 CCADLP O=C([C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CCOC2)C1)N1CCCCC1 ZINC000925656486 648451107 /nfs/dbraw/zinc/45/11/07/648451107.db2.gz XMSYYKJVKRYYBG-QLFBSQMISA-N 2 2 295.427 0.746 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000925662226 648451894 /nfs/dbraw/zinc/45/18/94/648451894.db2.gz HDPAUAXPVZLPBL-KBPBESRZSA-N 3 2 268.449 0.743 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000925662226 648451898 /nfs/dbraw/zinc/45/18/98/648451898.db2.gz HDPAUAXPVZLPBL-KBPBESRZSA-N 3 2 268.449 0.743 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000925667253 648452398 /nfs/dbraw/zinc/45/23/98/648452398.db2.gz BPKYFRXRLGYTTQ-XQQFMLRXSA-N 2 2 289.445 0.531 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000925696092 648454008 /nfs/dbraw/zinc/45/40/08/648454008.db2.gz SNKNCDLBQROTDW-LSDHHAIUSA-N 2 2 297.443 0.598 20 0 CCADLP [NH3+][C@@H]1C[C@H]([NH2+]CCCCC[NH+]2CCNCC2)C12CCC2 ZINC000925840015 648465297 /nfs/dbraw/zinc/46/52/97/648465297.db2.gz FQTMTOMVIUZXGH-CABCVRRESA-N 3 2 280.460 0.921 20 0 CCADLP NC(=O)[C@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000926756654 648524317 /nfs/dbraw/zinc/52/43/17/648524317.db2.gz ZAHGPEDYCJFBCE-CYDGBPFRSA-N 2 2 251.374 0.857 20 0 CCADLP NC(=O)[C@H]1C[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000926756654 648524322 /nfs/dbraw/zinc/52/43/22/648524322.db2.gz ZAHGPEDYCJFBCE-CYDGBPFRSA-N 2 2 251.374 0.857 20 0 CCADLP O[C@H]1CCN(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000926773795 648526493 /nfs/dbraw/zinc/52/64/93/648526493.db2.gz FCTYBUKGEOBYND-KKUMJFAQSA-N 2 2 267.417 0.660 20 0 CCADLP O[C@H]1CCN(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000926773795 648526494 /nfs/dbraw/zinc/52/64/94/648526494.db2.gz FCTYBUKGEOBYND-KKUMJFAQSA-N 2 2 267.417 0.660 20 0 CCADLP C[C@@H](CC(N)=O)[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927109537 648545228 /nfs/dbraw/zinc/54/52/28/648545228.db2.gz PPESMAGXMBIQGJ-JQWIXIFHSA-N 2 2 255.362 0.093 20 0 CCADLP C[C@@H](CC(N)=O)[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927109537 648545231 /nfs/dbraw/zinc/54/52/31/648545231.db2.gz PPESMAGXMBIQGJ-JQWIXIFHSA-N 2 2 255.362 0.093 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928084691 648613169 /nfs/dbraw/zinc/61/31/69/648613169.db2.gz DZQKXEXNZASVPK-WCQYABFASA-N 2 2 294.424 0.957 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928084691 648613174 /nfs/dbraw/zinc/61/31/74/648613174.db2.gz DZQKXEXNZASVPK-WCQYABFASA-N 2 2 294.424 0.957 20 0 CCADLP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928102944 648617201 /nfs/dbraw/zinc/61/72/01/648617201.db2.gz KDBRKWQRYIKFLJ-CHWSQXEVSA-N 2 2 283.441 0.778 20 0 CCADLP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928102944 648617205 /nfs/dbraw/zinc/61/72/05/648617205.db2.gz KDBRKWQRYIKFLJ-CHWSQXEVSA-N 2 2 283.441 0.778 20 0 CCADLP O[C@H]1CC[N@@H+](C2CC[NH+](CCOC3CC3)CC2)C1 ZINC000931065325 648942172 /nfs/dbraw/zinc/94/21/72/648942172.db2.gz AGNGANRIIPPQPO-ZDUSSCGKSA-N 2 2 254.374 0.696 20 0 CCADLP O[C@H]1CC[N@H+](C2CC[NH+](CCOC3CC3)CC2)C1 ZINC000931065325 648942174 /nfs/dbraw/zinc/94/21/74/648942174.db2.gz AGNGANRIIPPQPO-ZDUSSCGKSA-N 2 2 254.374 0.696 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]1C1OCCO1 ZINC000933903611 649146979 /nfs/dbraw/zinc/14/69/79/649146979.db2.gz SRMJFUUTLKQVIM-GFCCVEGCSA-N 2 2 251.330 0.800 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]1C1OCCO1 ZINC000933903611 649146981 /nfs/dbraw/zinc/14/69/81/649146981.db2.gz SRMJFUUTLKQVIM-GFCCVEGCSA-N 2 2 251.330 0.800 20 0 CCADLP Cn1ccc2c1nc[nH+]c2N1CCN2CC[NH2+]C[C@H]2C1 ZINC001164392163 718830548 /nfs/dbraw/zinc/83/05/48/718830548.db2.gz NJRBAPYVXRRWOA-NSHDSACASA-N 2 2 272.356 0.062 20 0 CCADLP Cc1nc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c(C)c(C)[nH+]1 ZINC000301645731 719462637 /nfs/dbraw/zinc/46/26/37/719462637.db2.gz CXQKMTRYBZDVHD-STQMWFEESA-N 2 2 262.357 0.921 20 0 CCADLP Cc1nc(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c(C)c(C)[nH+]1 ZINC000301645731 719462642 /nfs/dbraw/zinc/46/26/42/719462642.db2.gz CXQKMTRYBZDVHD-STQMWFEESA-N 2 2 262.357 0.921 20 0 CCADLP C[NH+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001209445967 790642176 /nfs/dbraw/zinc/64/21/76/790642176.db2.gz PFWIBGARRLXBHU-LLVKDONJSA-N 2 2 297.428 0.570 20 0 CCADLP C[C@H](O)CCC[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167345904 790932075 /nfs/dbraw/zinc/93/20/75/790932075.db2.gz CCIYGCXPDULLRQ-NSHDSACASA-N 2 2 268.361 0.209 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]C[C@@H]1C[C@]12CCOC2 ZINC001167349778 790944872 /nfs/dbraw/zinc/94/48/72/790944872.db2.gz GHFUAVHAGFDMJP-WFASDCNBSA-N 2 2 292.383 0.475 20 0 CCADLP C[N@@H+]1CCC2(C1)CC[NH+](CC(=O)N1CC[NH+](C)CC1)CC2 ZINC001277631377 805908226 /nfs/dbraw/zinc/90/82/26/805908226.db2.gz GVKHHDKVRKQQOM-UHFFFAOYSA-N 3 2 294.443 0.178 20 0 CCADLP C[N@H+]1CCC2(C1)CC[NH+](CC(=O)N1CC[NH+](C)CC1)CC2 ZINC001277631377 805908230 /nfs/dbraw/zinc/90/82/30/805908230.db2.gz GVKHHDKVRKQQOM-UHFFFAOYSA-N 3 2 294.443 0.178 20 0 CCADLP C[NH+]1CCN(C2C[NH+](Cc3ccc(CCO)cc3)C2)CC1 ZINC001232780320 805979055 /nfs/dbraw/zinc/97/90/55/805979055.db2.gz DXYRJJNYOLIKNG-UHFFFAOYSA-N 2 2 289.423 0.653 20 0 CCADLP Cc1nnc(C[NH2+]CCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)[nH]1 ZINC001266808263 791251744 /nfs/dbraw/zinc/25/17/44/791251744.db2.gz CCKRZAXQTDDYPF-LBPRGKRZSA-N 2 2 294.403 0.145 20 0 CCADLP Cc1nnc(C[NH2+]CCN(C)C(=O)[C@@H]2CCCC[N@H+]2C)[nH]1 ZINC001266808263 791251752 /nfs/dbraw/zinc/25/17/52/791251752.db2.gz CCKRZAXQTDDYPF-LBPRGKRZSA-N 2 2 294.403 0.145 20 0 CCADLP COC[C@H](C)[NH2+][C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001266990923 791424921 /nfs/dbraw/zinc/42/49/21/791424921.db2.gz WWLLWZMQYBDCKR-UWVGGRQHSA-N 2 2 268.361 0.390 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C[NH2+]CCF)C1 ZINC001267066755 791494702 /nfs/dbraw/zinc/49/47/02/791494702.db2.gz KINYKTZSWFRQME-LLVKDONJSA-N 2 2 268.336 0.668 20 0 CCADLP COC[C@H](C)[NH2+]CC1(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001167532435 791514448 /nfs/dbraw/zinc/51/44/48/791514448.db2.gz QFRRCTVXRWSXSL-LBPRGKRZSA-N 2 2 294.399 0.863 20 0 CCADLP Nc1cc(CNc2cncc(N3CCC([NH3+])CC3)n2)cc[nH+]1 ZINC001167613241 791629736 /nfs/dbraw/zinc/62/97/36/791629736.db2.gz IPSSZJKKHYTLMH-UHFFFAOYSA-N 2 2 299.382 0.993 20 0 CCADLP CC(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001277832872 806187303 /nfs/dbraw/zinc/18/73/03/806187303.db2.gz XCHKCENWHJRZFK-LSDHHAIUSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001277832872 806187306 /nfs/dbraw/zinc/18/73/06/806187306.db2.gz XCHKCENWHJRZFK-LSDHHAIUSA-N 2 2 297.443 0.944 20 0 CCADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]1C[NH2+]CCO ZINC001277883759 806299320 /nfs/dbraw/zinc/29/93/20/806299320.db2.gz ORNOPFCTNCAQNB-STQMWFEESA-N 2 2 292.383 0.018 20 0 CCADLP c1ccc2c(c1)n[nH]c2CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234981839 806325836 /nfs/dbraw/zinc/32/58/36/806325836.db2.gz MALJUEOURIZDSB-HNNXBMFYSA-N 2 2 271.368 0.700 20 0 CCADLP CC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001235038865 806350571 /nfs/dbraw/zinc/35/05/71/806350571.db2.gz QXODYGAAVASGPJ-HZSPNIEDSA-N 2 2 251.374 0.681 20 0 CCADLP CC(=O)N1CCC[C@@H](C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001235038865 806350581 /nfs/dbraw/zinc/35/05/81/806350581.db2.gz QXODYGAAVASGPJ-HZSPNIEDSA-N 2 2 251.374 0.681 20 0 CCADLP CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)C1 ZINC001235073473 806368877 /nfs/dbraw/zinc/36/88/77/806368877.db2.gz QXODYGAAVASGPJ-BFHYXJOUSA-N 2 2 251.374 0.681 20 0 CCADLP CC(=O)N1CCC[C@H](C[N@H+]2CC[C@H]3[NH2+]CC[C@H]32)C1 ZINC001235073473 806368882 /nfs/dbraw/zinc/36/88/82/806368882.db2.gz QXODYGAAVASGPJ-BFHYXJOUSA-N 2 2 251.374 0.681 20 0 CCADLP CCC[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001277948301 806430202 /nfs/dbraw/zinc/43/02/02/806430202.db2.gz SRPPMIGZXPJALY-LBPRGKRZSA-N 2 2 250.346 0.943 20 0 CCADLP COCCN1CC[C@]2(CCC[N@H+](C[C@@H](C)[NH3+])C2)C1=O ZINC001235544031 806450568 /nfs/dbraw/zinc/45/05/68/806450568.db2.gz HAMQUJWHMBVLQX-OCCSQVGLSA-N 2 2 269.389 0.295 20 0 CCADLP COCCN1CC[C@]2(CCC[N@@H+](C[C@@H](C)[NH3+])C2)C1=O ZINC001235544031 806450578 /nfs/dbraw/zinc/45/05/78/806450578.db2.gz HAMQUJWHMBVLQX-OCCSQVGLSA-N 2 2 269.389 0.295 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+]1CC[C@H]2OCC[C@@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC001235539972 806449416 /nfs/dbraw/zinc/44/94/16/806449416.db2.gz BCYVEFSSQZSQJP-YIYPIFLZSA-N 2 2 297.399 0.225 20 0 CCADLP C[C@@H]([NH3+])C[N@H+]1CC[C@H]2OCC[C@@H](C(=O)N3CCCO3)[C@@H]2C1 ZINC001235539972 806449420 /nfs/dbraw/zinc/44/94/20/806449420.db2.gz BCYVEFSSQZSQJP-YIYPIFLZSA-N 2 2 297.399 0.225 20 0 CCADLP CC(C)C(=O)N[C@@H]1COCCC12CC[NH+](C[C@H](C)[NH3+])CC2 ZINC001235595018 806468008 /nfs/dbraw/zinc/46/80/08/806468008.db2.gz AXGJIWSABSJHPU-UONOGXRCSA-N 2 2 297.443 0.977 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1C[C@@H]2C[C@@H](CN(C(=O)c3cscn3)C2)C1 ZINC001235660097 806484522 /nfs/dbraw/zinc/48/45/22/806484522.db2.gz IQPAOYYFEJRMPN-SDDRHHMPSA-N 2 2 294.424 0.884 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1C[C@@H]2C[C@@H](CN(C(=O)c3cscn3)C2)C1 ZINC001235660097 806484526 /nfs/dbraw/zinc/48/45/26/806484526.db2.gz IQPAOYYFEJRMPN-SDDRHHMPSA-N 2 2 294.424 0.884 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@@H]2CC[NH+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001277961109 806489375 /nfs/dbraw/zinc/48/93/75/806489375.db2.gz RSYLIIYKZIFSQK-HRCADAONSA-N 3 2 292.427 0.908 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@@H]2CC[NH+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001277961109 806489378 /nfs/dbraw/zinc/48/93/78/806489378.db2.gz RSYLIIYKZIFSQK-HRCADAONSA-N 3 2 292.427 0.908 20 0 CCADLP C[C@H](O)C[NH+]1C[C@@H]2CC[N@@H+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001277961109 806489383 /nfs/dbraw/zinc/48/93/83/806489383.db2.gz RSYLIIYKZIFSQK-HRCADAONSA-N 3 2 292.427 0.908 20 0 CCADLP C[C@H](O)C[NH+]1C[C@@H]2CC[N@H+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001277961109 806489387 /nfs/dbraw/zinc/48/93/87/806489387.db2.gz RSYLIIYKZIFSQK-HRCADAONSA-N 3 2 292.427 0.908 20 0 CCADLP COC(=O)c1ccnc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1 ZINC001235999851 806526618 /nfs/dbraw/zinc/52/66/18/806526618.db2.gz MJFLGEALYSEWNK-ONXXMXGDSA-N 2 2 291.351 0.274 20 0 CCADLP COC(=O)c1ccnc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1 ZINC001235999851 806526620 /nfs/dbraw/zinc/52/66/20/806526620.db2.gz MJFLGEALYSEWNK-ONXXMXGDSA-N 2 2 291.351 0.274 20 0 CCADLP CC1(C)[NH2+]C[C@@H](CN2CCc3[nH+]ccn3CC2)O1 ZINC001235995563 806525808 /nfs/dbraw/zinc/52/58/08/806525808.db2.gz ZSEGWHPETBJLTO-NSHDSACASA-N 2 2 250.346 0.466 20 0 CCADLP Cc1nc(N)ccc1C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235998082 806525859 /nfs/dbraw/zinc/52/58/59/806525859.db2.gz JHKAZCLLGOUIHN-ONXXMXGDSA-N 2 2 262.357 0.378 20 0 CCADLP Cc1nc(N)ccc1C[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235998082 806525861 /nfs/dbraw/zinc/52/58/61/806525861.db2.gz JHKAZCLLGOUIHN-ONXXMXGDSA-N 2 2 262.357 0.378 20 0 CCADLP CCOC(=O)[C@]12C[N@H+](Cc3cn[nH]c3)C[C@H]1C[NH2+]CC2 ZINC001236037023 806532043 /nfs/dbraw/zinc/53/20/43/806532043.db2.gz CSZGIOHPFWWOQH-TZMCWYRMSA-N 2 2 278.356 0.384 20 0 CCADLP CCOC(=O)[C@]12C[N@@H+](Cc3cn[nH]c3)C[C@H]1C[NH2+]CC2 ZINC001236037023 806532051 /nfs/dbraw/zinc/53/20/51/806532051.db2.gz CSZGIOHPFWWOQH-TZMCWYRMSA-N 2 2 278.356 0.384 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1c[nH+]c2ccc(C)cn12 ZINC001236197476 806550371 /nfs/dbraw/zinc/55/03/71/806550371.db2.gz QNTPHBPJXIHDGM-AAEUAGOBSA-N 2 2 288.351 0.717 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC3(CCC(=O)N3)CC2)O1 ZINC001236533721 806593579 /nfs/dbraw/zinc/59/35/79/806593579.db2.gz ZLKVLTQMKWEKNW-NSHDSACASA-N 2 2 267.373 0.456 20 0 CCADLP Cc1nc(C)c(C[NH+]2CCN(CC[NH+](C)C)CC2)o1 ZINC001236593855 806596389 /nfs/dbraw/zinc/59/63/89/806596389.db2.gz DQIDTYDZEVXCLF-UHFFFAOYSA-N 2 2 266.389 0.971 20 0 CCADLP C([NH2+][C@@H]1CCCOC1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246126368 807159252 /nfs/dbraw/zinc/15/92/52/807159252.db2.gz LGHDRYDVQFWITN-CHWSQXEVSA-N 3 2 253.390 0.629 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)NCCCCF)CC1 ZINC001120537348 798852227 /nfs/dbraw/zinc/85/22/27/798852227.db2.gz YWWUFXBFUINSKH-UHFFFAOYSA-N 2 2 260.357 0.458 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001121945853 799103904 /nfs/dbraw/zinc/10/39/04/799103904.db2.gz HIUDTORYCLHBFB-KKOKHZNYSA-N 2 2 260.341 0.344 20 0 CCADLP CC[C@@H](C(=O)NCC1C[NH2+]C1)[N@@H+]1CCO[C@H](CC)C1 ZINC001122010656 799121566 /nfs/dbraw/zinc/12/15/66/799121566.db2.gz VKUWNVBPSUCTOX-OLZOCXBDSA-N 2 2 269.389 0.211 20 0 CCADLP CC[C@@H](C(=O)NCC1C[NH2+]C1)[N@H+]1CCO[C@H](CC)C1 ZINC001122010656 799121572 /nfs/dbraw/zinc/12/15/72/799121572.db2.gz VKUWNVBPSUCTOX-OLZOCXBDSA-N 2 2 269.389 0.211 20 0 CCADLP O=C(NC[C@H]1C[NH2+]CCO1)c1cc2c[nH+]ccc2[nH]1 ZINC001122067603 799134177 /nfs/dbraw/zinc/13/41/77/799134177.db2.gz ILACNWKRBRWUHM-SNVBAGLBSA-N 2 2 260.297 0.281 20 0 CCADLP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[C@H]([NH3+])C(F)F)[C@@H]2C1 ZINC001122572691 799265615 /nfs/dbraw/zinc/26/56/15/799265615.db2.gz BTBPZPZYHSUYRF-JXUBOQSCSA-N 2 2 261.316 0.425 20 0 CCADLP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[C@H]([NH3+])C(F)F)[C@@H]2C1 ZINC001122572691 799265620 /nfs/dbraw/zinc/26/56/20/799265620.db2.gz BTBPZPZYHSUYRF-JXUBOQSCSA-N 2 2 261.316 0.425 20 0 CCADLP O=C1NC(=O)C2(CC[NH+](Cc3cccc4c[nH+]cn43)CC2)N1 ZINC001238111139 806752284 /nfs/dbraw/zinc/75/22/84/806752284.db2.gz RNUCRNXFQDOTIL-UHFFFAOYSA-N 2 2 299.334 0.508 20 0 CCADLP Cc1ncncc1C[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001238174881 806766953 /nfs/dbraw/zinc/76/69/53/806766953.db2.gz DMYVIZRGXWPPNP-UHFFFAOYSA-N 2 2 263.389 0.464 20 0 CCADLP Cc1ncncc1C[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001238174881 806766956 /nfs/dbraw/zinc/76/69/56/806766956.db2.gz DMYVIZRGXWPPNP-UHFFFAOYSA-N 2 2 263.389 0.464 20 0 CCADLP C[NH+](C)CCOc1ccc(C[NH+]2CC(O)C2)cc1 ZINC001138770245 799751054 /nfs/dbraw/zinc/75/10/54/799751054.db2.gz VILCCSSQZVOEEM-UHFFFAOYSA-N 2 2 250.342 0.804 20 0 CCADLP Cc1n[nH]c(C)c1C[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001139101300 799780940 /nfs/dbraw/zinc/78/09/40/799780940.db2.gz RGOBTXJKIXQTLM-UHFFFAOYSA-N 2 2 265.405 0.706 20 0 CCADLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1cn2ccncc2n1 ZINC001139699042 799830654 /nfs/dbraw/zinc/83/06/54/799830654.db2.gz JQQUJBRJUAJSFA-UHFFFAOYSA-N 2 2 288.399 0.409 20 0 CCADLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cn2ccncc2n1 ZINC001139699042 799830658 /nfs/dbraw/zinc/83/06/58/799830658.db2.gz JQQUJBRJUAJSFA-UHFFFAOYSA-N 2 2 288.399 0.409 20 0 CCADLP COC[C@@H](C)[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001203059468 799936472 /nfs/dbraw/zinc/93/64/72/799936472.db2.gz SRDZFFVDRHFGGL-LLVKDONJSA-N 2 2 280.372 0.568 20 0 CCADLP [NH3+]CCS(=O)(=O)NCC1CCN(c2cccc[nH+]2)CC1 ZINC001238596261 806792743 /nfs/dbraw/zinc/79/27/43/806792743.db2.gz LYEJUSXKQMOFJO-UHFFFAOYSA-N 2 2 298.412 0.176 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCCCC[NH+]1CCOCC1 ZINC001141743004 800032496 /nfs/dbraw/zinc/03/24/96/800032496.db2.gz ZSGFJEGCALVGSS-UHFFFAOYSA-N 2 2 280.372 0.420 20 0 CCADLP CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C[N@H+](C)C(C)C ZINC001142590745 800135839 /nfs/dbraw/zinc/13/58/39/800135839.db2.gz PFZSBBAGVDQNFT-LBPRGKRZSA-N 2 2 296.371 0.340 20 0 CCADLP CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C[N@@H+](C)C(C)C ZINC001142590745 800135843 /nfs/dbraw/zinc/13/58/43/800135843.db2.gz PFZSBBAGVDQNFT-LBPRGKRZSA-N 2 2 296.371 0.340 20 0 CCADLP CC(C)CC[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001151814265 800461337 /nfs/dbraw/zinc/46/13/37/800461337.db2.gz GOAAQEHDWCRMRX-OAHLLOKOSA-N 2 2 297.443 0.849 20 0 CCADLP C[NH+](C)[C@H](C(=O)NCC[NH2+]CC1CC1)c1cccnc1 ZINC001152618495 800542796 /nfs/dbraw/zinc/54/27/96/800542796.db2.gz OOLADLOCVODIKV-AWEZNQCLSA-N 2 2 276.384 0.800 20 0 CCADLP CC[N@H+](CCCO)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153115378 800599296 /nfs/dbraw/zinc/59/92/96/800599296.db2.gz VDXKUGKBPVKDBD-GFCCVEGCSA-N 2 2 282.388 0.551 20 0 CCADLP CC[N@@H+](CCCO)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153115378 800599297 /nfs/dbraw/zinc/59/92/97/800599297.db2.gz VDXKUGKBPVKDBD-GFCCVEGCSA-N 2 2 282.388 0.551 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]Cc1ccc(F)cn1 ZINC001153487760 800633614 /nfs/dbraw/zinc/63/36/14/800633614.db2.gz NLGMGQAVXPHSPC-UHFFFAOYSA-N 2 2 277.303 0.323 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]Cc1cncs1 ZINC001153496147 800635368 /nfs/dbraw/zinc/63/53/68/800635368.db2.gz SUMVQKJOGCONSH-UHFFFAOYSA-N 2 2 265.342 0.246 20 0 CCADLP CN(C)c1cc(NCC[C@H]2CCOC23C[NH2+]C3)[nH+]cn1 ZINC001155471451 800983896 /nfs/dbraw/zinc/98/38/96/800983896.db2.gz RAXJMLYTCVRKTQ-NSHDSACASA-N 2 2 277.372 0.723 20 0 CCADLP CN(C)c1cc(NCC[C@H]2CCOC23C[NH2+]C3)nc[nH+]1 ZINC001155471451 800983898 /nfs/dbraw/zinc/98/38/98/800983898.db2.gz RAXJMLYTCVRKTQ-NSHDSACASA-N 2 2 277.372 0.723 20 0 CCADLP C[C@H](C[NH+](C)C)Nc1cc(N2CCC[C@H]2C(N)=O)[nH+]cn1 ZINC001155922668 801077789 /nfs/dbraw/zinc/07/77/89/801077789.db2.gz YDPNVWDZPMNYPI-MNOVXSKESA-N 2 2 292.387 0.293 20 0 CCADLP C[N@@H+]1CCc2[nH]c(Cl)nc(=NOCC[NH3+])c2C1 ZINC001156293133 801146947 /nfs/dbraw/zinc/14/69/47/801146947.db2.gz FDYWFBIXQHQFLH-UHFFFAOYSA-N 2 2 257.725 0.420 20 0 CCADLP C[N@H+]1CCc2[nH]c(Cl)nc(=NOCC[NH3+])c2C1 ZINC001156293133 801146951 /nfs/dbraw/zinc/14/69/51/801146951.db2.gz FDYWFBIXQHQFLH-UHFFFAOYSA-N 2 2 257.725 0.420 20 0 CCADLP Nc1[nH]c2ccc(C(=O)N3CC[N@@H+]4CC[C@H]4C3)cc2[nH+]1 ZINC001156972299 801275776 /nfs/dbraw/zinc/27/57/76/801275776.db2.gz XEBHSNKLOSRFLV-JTQLQIEISA-N 2 2 271.324 0.675 20 0 CCADLP Nc1[nH]c2ccc(C(=O)N3CC[N@H+]4CC[C@H]4C3)cc2[nH+]1 ZINC001156972299 801275781 /nfs/dbraw/zinc/27/57/81/801275781.db2.gz XEBHSNKLOSRFLV-JTQLQIEISA-N 2 2 271.324 0.675 20 0 CCADLP Nc1[nH]c2cc(C(=O)N3CC[N@@H+]4CC[C@H]4C3)ccc2[nH+]1 ZINC001156972299 801275786 /nfs/dbraw/zinc/27/57/86/801275786.db2.gz XEBHSNKLOSRFLV-JTQLQIEISA-N 2 2 271.324 0.675 20 0 CCADLP Nc1[nH]c2cc(C(=O)N3CC[N@H+]4CC[C@H]4C3)ccc2[nH+]1 ZINC001156972299 801275788 /nfs/dbraw/zinc/27/57/88/801275788.db2.gz XEBHSNKLOSRFLV-JTQLQIEISA-N 2 2 271.324 0.675 20 0 CCADLP COC(=O)[C@@H](CCC[NH3+])Nc1cc(-n2ccnc2)cc[nH+]1 ZINC001157117891 801308006 /nfs/dbraw/zinc/30/80/06/801308006.db2.gz OTKCONSWCOHYOL-GFCCVEGCSA-N 2 2 289.339 0.960 20 0 CCADLP CC[N@H+](CCF)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157293832 801345322 /nfs/dbraw/zinc/34/53/22/801345322.db2.gz LQJORWBIIYANNX-LLVKDONJSA-N 2 2 256.325 0.679 20 0 CCADLP CC[N@@H+](CCF)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157293832 801345328 /nfs/dbraw/zinc/34/53/28/801345328.db2.gz LQJORWBIIYANNX-LLVKDONJSA-N 2 2 256.325 0.679 20 0 CCADLP C[NH2+][C@H](C(=O)NCCc1[nH+]ccn1C)[C@@H](C)OC(C)(C)C ZINC001157422787 801377636 /nfs/dbraw/zinc/37/76/36/801377636.db2.gz OGBQCXTXHSUFPS-YPMHNXCESA-N 2 2 296.415 0.870 20 0 CCADLP Nc1ccc(CCC(=O)N2C[C@@H](F)[C@@H]([NH3+])C2)c[nH+]1 ZINC001157537996 801410352 /nfs/dbraw/zinc/41/03/52/801410352.db2.gz GCUBVHIKMAYTBH-ZJUUUORDSA-N 2 2 252.293 0.104 20 0 CCADLP NC(=[NH2+])c1nccn1-c1cc(-n2cc[nH+]c2)ccn1 ZINC001157628392 801439364 /nfs/dbraw/zinc/43/93/64/801439364.db2.gz ARWGGGMOFPCVRJ-UHFFFAOYSA-N 2 2 253.269 0.737 20 0 CCADLP C[C@@]1(CO)CCCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC1 ZINC001157900477 801513067 /nfs/dbraw/zinc/51/30/67/801513067.db2.gz KISXTFZFBNJUFX-GBOPCIDUSA-N 2 2 281.400 0.219 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ncnc3c2CCC3)CC1 ZINC001157914370 801518442 /nfs/dbraw/zinc/51/84/42/801518442.db2.gz DTQXUEOYLINLTR-UHFFFAOYSA-N 2 2 260.345 0.559 20 0 CCADLP Cc1ccnc(NC(=[NH2+])N2CC[NH+](C)CC2)c1C(N)=O ZINC001157915153 801518839 /nfs/dbraw/zinc/51/88/39/801518839.db2.gz RSDDUUAEVFYJAL-UHFFFAOYSA-N 2 2 276.344 0.083 20 0 CCADLP CC1(C)CN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)[C@](C)(CO)C1 ZINC001157926366 801524345 /nfs/dbraw/zinc/52/43/45/801524345.db2.gz PEDHEXDPOYIXQC-FIXIBIHLSA-N 2 2 281.400 0.218 20 0 CCADLP COc1ccc2cnc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)nc2c1 ZINC001158203956 801592765 /nfs/dbraw/zinc/59/27/65/801592765.db2.gz KJFZOUSAGZFDGO-LLVKDONJSA-N 2 2 299.334 0.686 20 0 CCADLP Cc1cc2ncnc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)c2[nH]1 ZINC001158206386 801594219 /nfs/dbraw/zinc/59/42/19/801594219.db2.gz MBLCIUUNHDBQTK-SECBINFHSA-N 2 2 272.312 0.314 20 0 CCADLP Cc1[nH]c2ncnc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)c2c1C ZINC001158206263 801594263 /nfs/dbraw/zinc/59/42/63/801594263.db2.gz GUIFHFMQBFAHBG-SNVBAGLBSA-N 2 2 286.339 0.623 20 0 CCADLP COCc1ccnc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158262101 801608633 /nfs/dbraw/zinc/60/86/33/801608633.db2.gz RGYMHUSLJILLRF-LBPRGKRZSA-N 2 2 291.399 0.625 20 0 CCADLP COCc1ccnc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158262101 801608637 /nfs/dbraw/zinc/60/86/37/801608637.db2.gz RGYMHUSLJILLRF-LBPRGKRZSA-N 2 2 291.399 0.625 20 0 CCADLP Nc1cc(-n2cc(CC[NH3+])c3ncccc32)nc[nH+]1 ZINC001158751222 801698710 /nfs/dbraw/zinc/69/87/10/801698710.db2.gz GGNQDCVCGDOTPI-UHFFFAOYSA-N 2 2 254.297 0.899 20 0 CCADLP Cc1c(CC[NH3+])c(=O)[nH]n1-c1cc(N(C)C)cc[nH+]1 ZINC001159293988 801787055 /nfs/dbraw/zinc/78/70/55/801787055.db2.gz USYQTHWLEFJJLM-UHFFFAOYSA-N 2 2 261.329 0.849 20 0 CCADLP CO[C@@H](C)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160325909 801930110 /nfs/dbraw/zinc/93/01/10/801930110.db2.gz FPCSBIKRCXIPLE-QJPTWQEYSA-N 2 2 280.372 0.644 20 0 CCADLP CO[C@@H](C)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160325909 801930114 /nfs/dbraw/zinc/93/01/14/801930114.db2.gz FPCSBIKRCXIPLE-QJPTWQEYSA-N 2 2 280.372 0.644 20 0 CCADLP O=C(N(CCO)Cc1cccs1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160443762 801941638 /nfs/dbraw/zinc/94/16/38/801941638.db2.gz OGQIKJBJADGFNO-RISCZKNCSA-N 2 2 295.408 0.021 20 0 CCADLP CCCC1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC1 ZINC001160455230 801945270 /nfs/dbraw/zinc/94/52/70/801945270.db2.gz QKHONUWMADOBPH-MELADBBJSA-N 2 2 265.401 0.975 20 0 CCADLP CC[NH+](CC)C1CCN(C(=O)C2([NH3+])CC[NH2+]CC2)CC1 ZINC001160483169 801949229 /nfs/dbraw/zinc/94/92/29/801949229.db2.gz PZPLQZYLONDAKT-UHFFFAOYSA-N 3 2 282.432 0.400 20 0 CCADLP CCN(C(=O)C1([NH3+])CC[NH2+]CC1)C1CCOCC1 ZINC001160493231 801950903 /nfs/dbraw/zinc/95/09/03/801950903.db2.gz LSYDVGUPOMBUGK-UHFFFAOYSA-N 2 2 255.362 0.095 20 0 CCADLP [NH3+]C1(C(=O)N2CC[C@H](c3cccnc3)C2)CC[NH2+]CC1 ZINC001160523344 801960758 /nfs/dbraw/zinc/96/07/58/801960758.db2.gz APHXVHCKSTYZBW-ZDUSSCGKSA-N 2 2 274.368 0.478 20 0 CCADLP CCOC(=O)[C@@H]1CCCCN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001160582283 801976064 /nfs/dbraw/zinc/97/60/64/801976064.db2.gz LTXGCLSHXQGIRV-FJJYHAOUSA-N 2 2 295.383 0.152 20 0 CCADLP CN(CCC(=O)c1ccccc1)C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001160591299 801976771 /nfs/dbraw/zinc/97/67/71/801976771.db2.gz XTSHANVGFQUZLK-UHFFFAOYSA-N 2 2 289.379 0.799 20 0 CCADLP CN(Cc1nc2ccccc2o1)C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001160722410 802009699 /nfs/dbraw/zinc/00/96/99/802009699.db2.gz QNNMNGDCATWYLL-KOLCDFICSA-N 2 2 274.324 0.475 20 0 CCADLP [NH3+][C@@H](C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)C1CC[NH2+]CC1 ZINC001160848487 802029608 /nfs/dbraw/zinc/02/96/08/802029608.db2.gz GICSWVZKWWFEHJ-CQSZACIVSA-N 3 2 291.399 0.443 20 0 CCADLP [NH3+][C@@H](C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)C1CC[NH2+]CC1 ZINC001160848487 802029612 /nfs/dbraw/zinc/02/96/12/802029612.db2.gz GICSWVZKWWFEHJ-CQSZACIVSA-N 3 2 291.399 0.443 20 0 CCADLP CC1(C)CN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC(C)(C)O1 ZINC001160967865 802055306 /nfs/dbraw/zinc/05/53/06/802055306.db2.gz PXECDLZIIHMVDW-NHYWBVRUSA-N 2 2 281.400 0.354 20 0 CCADLP COC[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001161310807 802123651 /nfs/dbraw/zinc/12/36/51/802123651.db2.gz YTSADSIYARGKPY-OLZOCXBDSA-N 2 2 294.399 0.576 20 0 CCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCCC[NH2+]C[C@H](C)O)C2 ZINC001161323091 802125209 /nfs/dbraw/zinc/12/52/09/802125209.db2.gz BZMFCGCNYWNUDS-JQWIXIFHSA-N 2 2 294.399 0.300 20 0 CCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCCC[NH2+]C[C@H](C)O)CC2 ZINC001161323091 802125213 /nfs/dbraw/zinc/12/52/13/802125213.db2.gz BZMFCGCNYWNUDS-JQWIXIFHSA-N 2 2 294.399 0.300 20 0 CCADLP C[C@]1(C(=O)N2CC[C@@H]([NH+]3CCC([NH3+])CC3)C2)CCC[NH2+]1 ZINC001161381341 802142670 /nfs/dbraw/zinc/14/26/70/802142670.db2.gz XPJYIEBXJTWWHL-UKRRQHHQSA-N 3 2 280.416 0.153 20 0 CCADLP Cc1ncc(F)c(NCC[NH+]2CCC([NH3+])CC2)n1 ZINC001161866856 802233812 /nfs/dbraw/zinc/23/38/12/802233812.db2.gz CULCXBKYZZHHBO-UHFFFAOYSA-N 2 2 253.325 0.759 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC1=CC[N@H+](CCO)CC1 ZINC001161994073 802264461 /nfs/dbraw/zinc/26/44/61/802264461.db2.gz RZIKSMKWZQISKP-UHFFFAOYSA-N 2 2 278.356 0.014 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC1=CC[N@@H+](CCO)CC1 ZINC001161994073 802264464 /nfs/dbraw/zinc/26/44/64/802264464.db2.gz RZIKSMKWZQISKP-UHFFFAOYSA-N 2 2 278.356 0.014 20 0 CCADLP Cc1cc2c[nH+]c(N[C@@H](C)CN3CC[NH2+]CC3)nc2[nH]1 ZINC001162090015 802273599 /nfs/dbraw/zinc/27/35/99/802273599.db2.gz BITQJUDPLHZUOS-NSHDSACASA-N 2 2 274.372 0.924 20 0 CCADLP Cn1ccc2c[nH+]c(NC[C@@H]3C[N@H+](C)CCO3)nc21 ZINC001162680411 802386670 /nfs/dbraw/zinc/38/66/70/802386670.db2.gz LIDDQJLNRXKOGV-LLVKDONJSA-N 2 2 261.329 0.711 20 0 CCADLP Cn1ccc2c[nH+]c(NC[C@@H]3C[N@@H+](C)CCO3)nc21 ZINC001162680411 802386677 /nfs/dbraw/zinc/38/66/77/802386677.db2.gz LIDDQJLNRXKOGV-LLVKDONJSA-N 2 2 261.329 0.711 20 0 CCADLP Cc1cc(NC[C@@H]2C[N@H+](C)CCO2)nc2c1C[NH2+]CC2 ZINC001162680388 802386911 /nfs/dbraw/zinc/38/69/11/802386911.db2.gz KSHXHURUJMPKAW-GFCCVEGCSA-N 2 2 276.384 0.778 20 0 CCADLP Cc1cc(NC[C@@H]2C[N@@H+](C)CCO2)nc2c1C[NH2+]CC2 ZINC001162680388 802386922 /nfs/dbraw/zinc/38/69/22/802386922.db2.gz KSHXHURUJMPKAW-GFCCVEGCSA-N 2 2 276.384 0.778 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNc2ccc3c([nH+]2)NCCO3)C1 ZINC001162690012 802398853 /nfs/dbraw/zinc/39/88/53/802398853.db2.gz RZJZVIIPAQBTAT-JTQLQIEISA-N 2 2 264.329 0.628 20 0 CCADLP C[N@H+]1CCO[C@@H](CNc2ccc3c([nH+]2)NCCO3)C1 ZINC001162690012 802398862 /nfs/dbraw/zinc/39/88/62/802398862.db2.gz RZJZVIIPAQBTAT-JTQLQIEISA-N 2 2 264.329 0.628 20 0 CCADLP Cc1nc(N(C)C)nc(NC[C@@H]2CC[NH2+]C[C@@H]2F)[nH+]1 ZINC001162805627 802423085 /nfs/dbraw/zinc/42/30/85/802423085.db2.gz YAAPHLAAZFVZTG-UWVGGRQHSA-N 2 2 268.340 0.606 20 0 CCADLP CO[C@@H](C)C[NH2+]CCCNC(=O)CCc1[nH+]ccn1C ZINC001163044248 802466247 /nfs/dbraw/zinc/46/62/47/802466247.db2.gz QKZJFAOVXUENIO-LBPRGKRZSA-N 2 2 282.388 0.484 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCCC[NH2+]CC1CC1 ZINC001163044050 802467023 /nfs/dbraw/zinc/46/70/23/802467023.db2.gz GKBQNPUMHGEGJT-UHFFFAOYSA-N 2 2 264.373 0.859 20 0 CCADLP COCCCC[NH2+]CCCNC(=O)CCc1[nH+]ccn1C ZINC001163050505 802467708 /nfs/dbraw/zinc/46/77/08/802467708.db2.gz JVECWIRWBPOGDQ-UHFFFAOYSA-N 2 2 296.415 0.875 20 0 CCADLP Fc1c[nH+]ccc1NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163171682 802500589 /nfs/dbraw/zinc/50/05/89/802500589.db2.gz NBBQKQKYUIHKCZ-BREBYQMCSA-N 2 2 251.305 0.679 20 0 CCADLP O=C(NCCC[NH2+]CCO)c1ccc(-n2cc[nH+]c2)cc1 ZINC001163479856 802562004 /nfs/dbraw/zinc/56/20/04/802562004.db2.gz UQJSVWVHWFODQC-UHFFFAOYSA-N 2 2 288.351 0.574 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCC[NH2+]C[C@H]1CCCCO1 ZINC001163593627 802574945 /nfs/dbraw/zinc/57/49/45/802574945.db2.gz NVBMIQKQJUBPKU-CQSZACIVSA-N 2 2 294.399 0.938 20 0 CCADLP C[NH+](C)C1(CNc2cnc(C(N)=O)cn2)CC[NH+](C)CC1 ZINC001164207208 802688632 /nfs/dbraw/zinc/68/86/32/802688632.db2.gz VJBNLSVRQBMYDI-UHFFFAOYSA-N 2 2 292.387 0.013 20 0 CCADLP CC[NH+](CC)CCCNC(=O)C[C@H]([NH3+])C(F)F ZINC000724716898 809987063 /nfs/dbraw/zinc/98/70/63/809987063.db2.gz SVONVMGSUQDMTJ-VIFPVBQESA-N 2 2 251.321 0.817 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Nc2ccc3[nH]c(N)[nH+]c3c2)C[NH2+]1 ZINC001164308729 802717061 /nfs/dbraw/zinc/71/70/61/802717061.db2.gz QMFROVAJSLJSPT-KWQFWETISA-N 2 2 275.312 0.461 20 0 CCADLP CN(C)c1cc(N2CCC(F)(F)[C@@H]([NH3+])C2)nc[nH+]1 ZINC001164317215 802720668 /nfs/dbraw/zinc/72/06/68/802720668.db2.gz PCIMFCGJTWBENX-QMMMGPOBSA-N 2 2 257.288 0.715 20 0 CCADLP CNC(=O)c1ccnc(-n2c(C)[nH+]c3c2CC[NH2+]CC3)c1 ZINC001165354483 802826509 /nfs/dbraw/zinc/82/65/09/802826509.db2.gz AVJXKBRUZLOCLX-UHFFFAOYSA-N 2 2 285.351 0.624 20 0 CCADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4[C@H]([NH3+])[C@@H]4C3)[nH+]2)CC1 ZINC001165382077 802830206 /nfs/dbraw/zinc/83/02/06/802830206.db2.gz KUOVYXKUUPLRTH-JJLQDPRZSA-N 3 2 273.384 0.227 20 0 CCADLP c1nc(N2CCC[C@H]3[NH2+]C[C@H]32)cc(N2CCSCC2)[nH+]1 ZINC001165397529 802836049 /nfs/dbraw/zinc/83/60/49/802836049.db2.gz WGHOBCIGIWHSAN-VXGBXAGGSA-N 2 2 291.424 0.970 20 0 CCADLP COCCC[NH2+]CCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001166402002 802905153 /nfs/dbraw/zinc/90/51/53/802905153.db2.gz LJEBJXNRHMQMFV-LBPRGKRZSA-N 2 2 294.399 0.962 20 0 CCADLP COC(=O)C1([NH3+])CCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC001166800856 802962344 /nfs/dbraw/zinc/96/23/44/802962344.db2.gz MWJSBFMPWIAJLE-UHFFFAOYSA-N 2 2 278.356 0.873 20 0 CCADLP CN(c1ccc(N2CC[NH2+]CC2)c[nH+]1)C1(C)COC1 ZINC001166985702 803009113 /nfs/dbraw/zinc/00/91/13/803009113.db2.gz HSSRDMMZJHZKHK-UHFFFAOYSA-N 2 2 262.357 0.716 20 0 CCADLP CN(C)C(=O)C[NH+]1CC2(C1)CCCN(CC[NH+](C)C)C2 ZINC001276463535 803084870 /nfs/dbraw/zinc/08/48/70/803084870.db2.gz RZZHOYXOBQLTCN-UHFFFAOYSA-N 2 2 282.432 0.034 20 0 CCADLP C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@](O)(C[NH3+])C2)C1 ZINC001205665466 803152509 /nfs/dbraw/zinc/15/25/09/803152509.db2.gz RMUDTGCCWRKVMJ-UONOGXRCSA-N 3 2 255.406 0.504 20 0 CCADLP C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@](O)(C[NH3+])C2)C1 ZINC001205665466 803152511 /nfs/dbraw/zinc/15/25/11/803152511.db2.gz RMUDTGCCWRKVMJ-UONOGXRCSA-N 3 2 255.406 0.504 20 0 CCADLP C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)C1 ZINC001205665466 803152513 /nfs/dbraw/zinc/15/25/13/803152513.db2.gz RMUDTGCCWRKVMJ-UONOGXRCSA-N 3 2 255.406 0.504 20 0 CCADLP C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)C1 ZINC001205665466 803152514 /nfs/dbraw/zinc/15/25/14/803152514.db2.gz RMUDTGCCWRKVMJ-UONOGXRCSA-N 3 2 255.406 0.504 20 0 CCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205818576 803176369 /nfs/dbraw/zinc/17/63/69/803176369.db2.gz URPSZVHXIIZOHW-SCZZXKLOSA-N 2 2 266.345 0.755 20 0 CCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1C[C@H](C)CC[C@H]1C[NH3+] ZINC001205818576 803176373 /nfs/dbraw/zinc/17/63/73/803176373.db2.gz URPSZVHXIIZOHW-SCZZXKLOSA-N 2 2 266.345 0.755 20 0 CCADLP [NH3+]C[C@]1(F)CCCC[N@H+](CCN2CCOCC2)C1 ZINC001206335193 803230869 /nfs/dbraw/zinc/23/08/69/803230869.db2.gz CCYLKWMCMILVOI-CYBMUJFWSA-N 2 2 259.369 0.472 20 0 CCADLP [NH3+]C[C@]1(F)CCCC[N@@H+](CCN2CCOCC2)C1 ZINC001206335193 803230872 /nfs/dbraw/zinc/23/08/72/803230872.db2.gz CCYLKWMCMILVOI-CYBMUJFWSA-N 2 2 259.369 0.472 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@@H]1O ZINC001206513208 803256024 /nfs/dbraw/zinc/25/60/24/803256024.db2.gz ZDXUOBHNYPBHTN-IKGGRYGDSA-N 3 2 289.423 0.760 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](C[C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@@H]1O ZINC001206513208 803256030 /nfs/dbraw/zinc/25/60/30/803256030.db2.gz ZDXUOBHNYPBHTN-IKGGRYGDSA-N 3 2 289.423 0.760 20 0 CCADLP [NH3+]C[C@H]1C[NH+](C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC001206513208 803256035 /nfs/dbraw/zinc/25/60/35/803256035.db2.gz ZDXUOBHNYPBHTN-IKGGRYGDSA-N 3 2 289.423 0.760 20 0 CCADLP [NH3+]C[C@H]1C[NH+](C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC001206513208 803256040 /nfs/dbraw/zinc/25/60/40/803256040.db2.gz ZDXUOBHNYPBHTN-IKGGRYGDSA-N 3 2 289.423 0.760 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)C[C@@H]1O ZINC001206519185 803258632 /nfs/dbraw/zinc/25/86/32/803258632.db2.gz JORUEGZEOAAMKZ-ZFWWWQNUSA-N 2 2 272.352 0.624 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)C[C@@H]1O ZINC001206519185 803258635 /nfs/dbraw/zinc/25/86/35/803258635.db2.gz JORUEGZEOAAMKZ-ZFWWWQNUSA-N 2 2 272.352 0.624 20 0 CCADLP Cc1c(CN2C[C@H](O)[C@@H](C[NH3+])C2)[nH+]c2ccccn12 ZINC001206518702 803258980 /nfs/dbraw/zinc/25/89/80/803258980.db2.gz FLVVNVSANKBVSJ-AAEUAGOBSA-N 2 2 260.341 0.394 20 0 CCADLP COCC[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001206970989 803319250 /nfs/dbraw/zinc/31/92/50/803319250.db2.gz SXCAIBXJVSLCEO-UHFFFAOYSA-N 2 2 280.372 0.358 20 0 CCADLP COCC(=O)N[C@@H]1CCC[N@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207284468 803378287 /nfs/dbraw/zinc/37/82/87/803378287.db2.gz NFDSSOZHCDYBSJ-CYBMUJFWSA-N 2 2 285.432 0.801 20 0 CCADLP COCC(=O)N[C@@H]1CCC[N@@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207284468 803378293 /nfs/dbraw/zinc/37/82/93/803378293.db2.gz NFDSSOZHCDYBSJ-CYBMUJFWSA-N 2 2 285.432 0.801 20 0 CCADLP C[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207545372 803416875 /nfs/dbraw/zinc/41/68/75/803416875.db2.gz RQRUAIBKIRKAAL-VXGBXAGGSA-N 2 2 271.380 0.877 20 0 CCADLP C[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001207545372 803416879 /nfs/dbraw/zinc/41/68/79/803416879.db2.gz RQRUAIBKIRKAAL-VXGBXAGGSA-N 2 2 271.380 0.877 20 0 CCADLP COC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208247614 803500440 /nfs/dbraw/zinc/50/04/40/803500440.db2.gz PKNUANHDFVPTSD-MGPQQGTHSA-N 2 2 294.399 0.745 20 0 CCADLP COC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208247614 803500441 /nfs/dbraw/zinc/50/04/41/803500441.db2.gz PKNUANHDFVPTSD-MGPQQGTHSA-N 2 2 294.399 0.745 20 0 CCADLP C[N@@H+]1CCC[C@H](C[NH+]2CCN(C3COC3)CC2)C1 ZINC001208604782 803526878 /nfs/dbraw/zinc/52/68/78/803526878.db2.gz VABHTYYTUJDMAF-ZDUSSCGKSA-N 2 2 253.390 0.345 20 0 CCADLP C[N@H+]1CCC[C@H](C[NH+]2CCN(C3COC3)CC2)C1 ZINC001208604782 803526880 /nfs/dbraw/zinc/52/68/80/803526880.db2.gz VABHTYYTUJDMAF-ZDUSSCGKSA-N 2 2 253.390 0.345 20 0 CCADLP C[NH+](C)CCN1CCC12C[NH+](Cc1ccc(N)nc1)C2 ZINC001276654780 803615318 /nfs/dbraw/zinc/61/53/18/803615318.db2.gz VWTASGXTBDJFBG-UHFFFAOYSA-N 2 2 275.400 0.486 20 0 CCADLP Nc1cc[nH+]cc1C[NH+]1CCC(N2CCOC2=O)CC1 ZINC001209732017 803625314 /nfs/dbraw/zinc/62/53/14/803625314.db2.gz WFYWJDIKSXNQCG-UHFFFAOYSA-N 2 2 276.340 0.911 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCO)C1 ZINC001215855716 803827828 /nfs/dbraw/zinc/82/78/28/803827828.db2.gz WHNWILINFGEIMM-YRGRVCCFSA-N 2 2 294.399 0.407 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCO)C1 ZINC001215855716 803827837 /nfs/dbraw/zinc/82/78/37/803827837.db2.gz WHNWILINFGEIMM-YRGRVCCFSA-N 2 2 294.399 0.407 20 0 CCADLP C[C@@H]1C[C@H]1c1nnc([C@@H]([NH3+])CN2CCC([NH3+])CC2)o1 ZINC001217757588 803911518 /nfs/dbraw/zinc/91/15/18/803911518.db2.gz OWVYLBWKPKCWAZ-IEBDPFPHSA-N 2 2 265.361 0.616 20 0 CCADLP COc1ccc(C[NH+]2CC3(CN(CC[NH+](C)C)C3)C2)cn1 ZINC001276770473 803930863 /nfs/dbraw/zinc/93/08/63/803930863.db2.gz MWNGDECPJYLALN-UHFFFAOYSA-N 2 2 290.411 0.769 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(Cl)nn1 ZINC001218509653 803975303 /nfs/dbraw/zinc/97/53/03/803975303.db2.gz WUJRSLVZMWWFOD-ZETCQYMHSA-N 2 2 266.692 0.362 20 0 CCADLP [NH3+]C1(C(=O)Nc2ncnc3sccc32)CC[NH2+]CC1 ZINC001218515683 803978412 /nfs/dbraw/zinc/97/84/12/803978412.db2.gz UDXCGRZQCOYZEO-UHFFFAOYSA-N 2 2 277.353 0.711 20 0 CCADLP COc1nc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc2cccnc21 ZINC001218526007 803986520 /nfs/dbraw/zinc/98/65/20/803986520.db2.gz ALDYIRDLQPIIBN-VIFPVBQESA-N 2 2 275.312 0.253 20 0 CCADLP Nc1cccnc1NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001218537879 803992569 /nfs/dbraw/zinc/99/25/69/803992569.db2.gz ACTXTQVLGVFPNX-GFCCVEGCSA-N 2 2 271.324 0.875 20 0 CCADLP Cc1ccc2c(n[nH]c2NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)n1 ZINC001218543297 803995942 /nfs/dbraw/zinc/99/59/42/803995942.db2.gz SPDUOEFEAXZCPG-RULNRJAQSA-N 2 2 286.339 0.427 20 0 CCADLP CCOC(=O)c1cc[nH]c1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218541133 803997044 /nfs/dbraw/zinc/99/70/44/803997044.db2.gz NVOBPPBCQADVEF-RULNRJAQSA-N 2 2 292.339 0.352 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1nc2ccccc2nc1Cl ZINC001218563158 804008370 /nfs/dbraw/zinc/00/83/70/804008370.db2.gz LXITVSWRYWWRNW-ZETCQYMHSA-N 2 2 279.731 0.898 20 0 CCADLP CCOc1ncc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc1F ZINC001218600473 804029312 /nfs/dbraw/zinc/02/93/12/804029312.db2.gz MGBMYYLEKOKEOE-XCBNKYQSSA-N 2 2 268.292 0.247 20 0 CCADLP Cn1nc(C(C)(C)C)cc1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218606116 804032425 /nfs/dbraw/zinc/03/24/25/804032425.db2.gz MXGWUQOGXRMTLS-FCHSOHFDSA-N 2 2 291.399 0.878 20 0 CCADLP Nc1cc[nH+]c(-c2cc(NC(=O)[C@@]3(N)CC[NH2+]C3)ccn2)c1 ZINC001218613632 804033225 /nfs/dbraw/zinc/03/32/25/804033225.db2.gz SQRJUJUXZBHVGC-OAHLLOKOSA-N 2 2 298.350 0.355 20 0 CCADLP [NH3+]C1(C(=O)Nc2cnn3ccc(Cl)nc23)CC[NH2+]CC1 ZINC001218615708 804035206 /nfs/dbraw/zinc/03/52/06/804035206.db2.gz HKHJZCCPOVVEPX-UHFFFAOYSA-N 2 2 294.746 0.402 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1c[nH]c(Cl)cc1=O ZINC001218631726 804048730 /nfs/dbraw/zinc/04/87/30/804048730.db2.gz KWTIJRUSSPVQMN-UHFFFAOYSA-N 2 2 284.747 0.721 20 0 CCADLP Cc1ncnc(C)c1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218639189 804052880 /nfs/dbraw/zinc/05/28/80/804052880.db2.gz YKQMBZSGVYYRKN-SNVBAGLBSA-N 2 2 260.301 0.325 20 0 CCADLP CC(=O)c1ccsc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218641045 804055154 /nfs/dbraw/zinc/05/51/54/804055154.db2.gz SQEKHWLMQVVPKC-APPZFPTMSA-N 2 2 253.327 0.578 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1c[nH]c(=O)c(C(F)(F)F)c1 ZINC001218689790 804081215 /nfs/dbraw/zinc/08/12/15/804081215.db2.gz CKWTVWRVXRSGOO-ZETCQYMHSA-N 2 2 278.234 0.421 20 0 CCADLP Cn1nncc1NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001218699569 804086817 /nfs/dbraw/zinc/08/68/17/804086817.db2.gz BWDHYRYJXJMQON-SNVBAGLBSA-N 2 2 260.301 0.026 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cnccc1OC(F)F ZINC001218739265 804100020 /nfs/dbraw/zinc/10/00/20/804100020.db2.gz ACUUNNKXYMNOTQ-BQBZGAKWSA-N 2 2 272.255 0.168 20 0 CCADLP COC(=O)c1c[nH]c2nc[nH+]c(NC(=O)[C@@H](C)C[NH3+])c12 ZINC001218775558 804118173 /nfs/dbraw/zinc/11/81/73/804118173.db2.gz CXAYKYNOFDPLHV-LURJTMIESA-N 2 2 277.284 0.278 20 0 CCADLP [NH3+]C1(C(=O)Nc2cccc3nsnc32)CC[NH2+]CC1 ZINC001218807846 804128000 /nfs/dbraw/zinc/12/80/00/804128000.db2.gz OVISWFOZCIYITP-UHFFFAOYSA-N 2 2 277.353 0.711 20 0 CCADLP O=C(CN1CC[NH2+]CC1)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001218849103 804138294 /nfs/dbraw/zinc/13/82/94/804138294.db2.gz VNRXGIYYTUJYKT-UHFFFAOYSA-N 2 2 299.378 0.775 20 0 CCADLP [NH3+]C[C@H](O)CC(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001218848207 804139245 /nfs/dbraw/zinc/13/92/45/804139245.db2.gz OXRHNBIYHYBZAI-CYBMUJFWSA-N 2 2 274.324 0.580 20 0 CCADLP [NH3+]C1(C(=O)Nc2cccc(-n3nccn3)c2)CC[NH2+]CC1 ZINC001218985134 804174445 /nfs/dbraw/zinc/17/44/45/804174445.db2.gz WJMDGQKDYWKCEB-UHFFFAOYSA-N 2 2 286.339 0.287 20 0 CCADLP CCCCC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219553124 804346432 /nfs/dbraw/zinc/34/64/32/804346432.db2.gz TYPQSTIKXZOSAZ-OLZOCXBDSA-N 2 2 294.399 0.694 20 0 CCADLP CCCCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219553124 804346443 /nfs/dbraw/zinc/34/64/43/804346443.db2.gz TYPQSTIKXZOSAZ-OLZOCXBDSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)[C@@]2(C)CC(F)(F)C[NH2+]2)C[NH2+]1 ZINC001219582910 804358479 /nfs/dbraw/zinc/35/84/79/804358479.db2.gz NWFLRHVXQDCUIC-ATZCPNFKSA-N 2 2 261.316 0.630 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H](O)c2ccco2)cc1 ZINC001219603646 804370279 /nfs/dbraw/zinc/37/02/79/804370279.db2.gz BLLAOBCINPOVTJ-QWHCGFSZSA-N 2 2 289.335 0.702 20 0 CCADLP CCC(CC)CNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001219601906 804370352 /nfs/dbraw/zinc/37/03/52/804370352.db2.gz ZUIQCQRWUWIARN-CYBMUJFWSA-N 2 2 270.421 0.289 20 0 CCADLP C[C@@H]([NH3+])c1ncc(C(=O)NC[C@H]2C[N@H+](C)CCO2)s1 ZINC001219695200 804405967 /nfs/dbraw/zinc/40/59/67/804405967.db2.gz RCSMDYWISJQJHO-BDAKNGLRSA-N 2 2 284.385 0.223 20 0 CCADLP C[C@@H]([NH3+])c1ncc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)s1 ZINC001219695200 804405969 /nfs/dbraw/zinc/40/59/69/804405969.db2.gz RCSMDYWISJQJHO-BDAKNGLRSA-N 2 2 284.385 0.223 20 0 CCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O)[NH+](C)C ZINC001219869681 804434542 /nfs/dbraw/zinc/43/45/42/804434542.db2.gz QXPFSFMFDIWSBX-RRZDQKFSSA-N 2 2 289.807 0.240 20 0 CCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O)[NH+](C)C ZINC001219869681 804434550 /nfs/dbraw/zinc/43/45/50/804434550.db2.gz QXPFSFMFDIWSBX-RRZDQKFSSA-N 2 2 289.807 0.240 20 0 CCADLP Cc1c[nH]c(CCNC(=O)[C@@H]2C[C@@H](OC(C)(C)C)C[NH2+]2)[nH+]1 ZINC001219951889 804456649 /nfs/dbraw/zinc/45/66/49/804456649.db2.gz GJXDZLKLRACJPQ-NEPJUHHUSA-N 2 2 294.399 0.922 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NCCn2cccc2)cc1 ZINC001219971706 804460916 /nfs/dbraw/zinc/46/09/16/804460916.db2.gz AHDCBQICWCPTLQ-AWEZNQCLSA-N 2 2 272.352 0.877 20 0 CCADLP [NH3+]C1(C(=O)NCc2cnc3[nH]ccc3c2)CC[NH2+]CC1 ZINC001220013341 804471216 /nfs/dbraw/zinc/47/12/16/804471216.db2.gz RORXNVZGCUEBCR-UHFFFAOYSA-N 2 2 273.340 0.260 20 0 CCADLP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1(F)C[NH2+]C1 ZINC001220061833 804491108 /nfs/dbraw/zinc/49/11/08/804491108.db2.gz DNEFUMXRUCMWPX-LLVKDONJSA-N 2 2 257.353 0.679 20 0 CCADLP C[C@@H]1CCCC[N@H+]1CCCNC(=O)C1(F)C[NH2+]C1 ZINC001220061833 804491113 /nfs/dbraw/zinc/49/11/13/804491113.db2.gz DNEFUMXRUCMWPX-LLVKDONJSA-N 2 2 257.353 0.679 20 0 CCADLP Cc1ccc(CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)c(F)c1F ZINC001220210256 804537455 /nfs/dbraw/zinc/53/74/55/804537455.db2.gz WOAGEQZKCGIUNX-SDDRHHMPSA-N 2 2 295.333 0.839 20 0 CCADLP CC(C)[C@]1(C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)CCC[NH2+]C1 ZINC001220290992 804563781 /nfs/dbraw/zinc/56/37/81/804563781.db2.gz JIXPWMGPIUATSQ-HIFRSBDPSA-N 2 2 294.399 0.455 20 0 CCADLP CC(C)[C@]1(C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)CCC[NH2+]C1 ZINC001220290992 804563789 /nfs/dbraw/zinc/56/37/89/804563789.db2.gz JIXPWMGPIUATSQ-HIFRSBDPSA-N 2 2 294.399 0.455 20 0 CCADLP CC[C@H](F)C[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220583534 804629963 /nfs/dbraw/zinc/62/99/63/804629963.db2.gz YYZLIZIOCOGYOJ-XQQFMLRXSA-N 2 2 289.395 0.238 20 0 CCADLP CC[C@H](F)C[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220583534 804629970 /nfs/dbraw/zinc/62/99/70/804629970.db2.gz YYZLIZIOCOGYOJ-XQQFMLRXSA-N 2 2 289.395 0.238 20 0 CCADLP CC[C@@H](F)C[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220583533 804630149 /nfs/dbraw/zinc/63/01/49/804630149.db2.gz YYZLIZIOCOGYOJ-UPJWGTAASA-N 2 2 289.395 0.238 20 0 CCADLP CC[C@@H](F)C[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220583533 804630159 /nfs/dbraw/zinc/63/01/59/804630159.db2.gz YYZLIZIOCOGYOJ-UPJWGTAASA-N 2 2 289.395 0.238 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1Oc2ccccc2O1 ZINC001220707679 804653394 /nfs/dbraw/zinc/65/33/94/804653394.db2.gz YJAKMXYZBFVOQA-SNVBAGLBSA-N 2 2 288.307 0.193 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC2(C1)CC(F)(F)C2 ZINC001220736357 804658247 /nfs/dbraw/zinc/65/82/47/804658247.db2.gz IIQMWVTVMTWMMC-SNVBAGLBSA-N 2 2 284.310 0.974 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC1CC2(C1)CC(F)(F)C2 ZINC001220736153 804658509 /nfs/dbraw/zinc/65/85/09/804658509.db2.gz BXNAROUKVGUREZ-IUCAKERBSA-N 2 2 259.300 0.227 20 0 CCADLP O=C(NC1CC2(C1)CC(F)(F)C2)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220736481 804658599 /nfs/dbraw/zinc/65/85/99/804658599.db2.gz LRJJOGZJVVAGRZ-XPTSAGLGSA-N 2 2 285.338 0.632 20 0 CCADLP O=C(NCc1cc2ccncc2[nH]1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220868624 804685701 /nfs/dbraw/zinc/68/57/01/804685701.db2.gz MNDIAUWLKGBPMU-ABAIWWIYSA-N 2 2 285.351 0.131 20 0 CCADLP Nc1[nH]c2cc(C(=O)N[C@@H]3CCC[NH2+]C3)ccc2[nH+]1 ZINC001220898274 804695612 /nfs/dbraw/zinc/69/56/12/804695612.db2.gz DMWQBHFFTVCRRJ-SECBINFHSA-N 2 2 259.313 0.627 20 0 CCADLP Cc1cc2c(cn1)[C@H](NC(=O)[C@@]13C[NH2+]C[C@@H]1CC[NH2+]3)CC2 ZINC001220960483 804708816 /nfs/dbraw/zinc/70/88/16/804708816.db2.gz PUHPWLTZCBMDDK-JGGQBBKZSA-N 2 2 286.379 0.445 20 0 CCADLP O=C(CN1CC[NH2+]CC1)NCc1c[nH+]cn1C1CCC1 ZINC001221023720 804721308 /nfs/dbraw/zinc/72/13/08/804721308.db2.gz RFFJMGDJNOUTMG-UHFFFAOYSA-N 2 2 277.372 0.130 20 0 CCADLP CC(C)(C)[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[NH2+]1 ZINC001221357629 804787104 /nfs/dbraw/zinc/78/71/04/804787104.db2.gz PLXVBQNSYHWFDD-NWDGAFQWSA-N 2 2 269.389 0.211 20 0 CCADLP CCCC(C[NH3+])(CCC)NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001221370900 804791151 /nfs/dbraw/zinc/79/11/51/804791151.db2.gz ZOBBREHTXHRXBF-ZDUSSCGKSA-N 3 2 295.431 0.704 20 0 CCADLP CC[C@@H](CO)NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001221381112 804795424 /nfs/dbraw/zinc/79/54/24/804795424.db2.gz SXQUCFFWAXISMR-NWDGAFQWSA-N 2 2 251.330 0.146 20 0 CCADLP C[NH+](C)CC1CCC(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001221402004 804803372 /nfs/dbraw/zinc/80/33/72/804803372.db2.gz SDNKHNAQFWOXPY-ORHYLEIMSA-N 3 2 293.415 0.516 20 0 CCADLP O=C(N[C@@H](C1CCC1)C1C[NH2+]C1)[C@@H]1C[NH2+]CC(F)(F)C1 ZINC001221409055 804810362 /nfs/dbraw/zinc/81/03/62/804810362.db2.gz MAFACVGOVGCXDL-JQWIXIFHSA-N 2 2 287.354 0.736 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222099510 804867256 /nfs/dbraw/zinc/86/72/56/804867256.db2.gz YINVCPCGCHSWRA-STQMWFEESA-N 2 2 280.372 0.499 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC3(C[C@@H](O)CO3)CC2)O1 ZINC001222477841 804904963 /nfs/dbraw/zinc/90/49/63/804904963.db2.gz SJYAAAIBDALSSP-NEPJUHHUSA-N 2 2 270.373 0.327 20 0 CCADLP Nc1cc[nH+]cc1CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222497341 804906678 /nfs/dbraw/zinc/90/66/78/804906678.db2.gz DVHUMAJHZLKUMD-KBPBESRZSA-N 3 2 261.373 0.020 20 0 CCADLP CC1(C)[NH2+][C@@H](CC[N@@H+]2CC[C@H]3C[NH2+]CC[C@H]32)CO1 ZINC001222616162 804922332 /nfs/dbraw/zinc/92/23/32/804922332.db2.gz YCTBBYPTVWANFA-RWMBFGLXSA-N 3 2 253.390 0.785 20 0 CCADLP CC1(C)[NH2+][C@@H](CC[N@H+]2CC[C@H]3C[NH2+]CC[C@H]32)CO1 ZINC001222616162 804922335 /nfs/dbraw/zinc/92/23/35/804922335.db2.gz YCTBBYPTVWANFA-RWMBFGLXSA-N 3 2 253.390 0.785 20 0 CCADLP C[NH+](C)CCN1CCC12C[NH+](Cc1cnc(N)s1)C2 ZINC001276850683 804938797 /nfs/dbraw/zinc/93/87/97/804938797.db2.gz SDFXQXZMDAFGRZ-UHFFFAOYSA-N 2 2 281.429 0.547 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CC[N@@H+]1CC1CC1 ZINC001276862376 804953223 /nfs/dbraw/zinc/95/32/23/804953223.db2.gz UIZHKGPERMDDQA-ZDUSSCGKSA-N 2 2 262.357 0.943 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CC[N@H+]1CC1CC1 ZINC001276862376 804953228 /nfs/dbraw/zinc/95/32/28/804953228.db2.gz UIZHKGPERMDDQA-ZDUSSCGKSA-N 2 2 262.357 0.943 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CC[N@@H+]1CC1CC1 ZINC001276862376 804953233 /nfs/dbraw/zinc/95/32/33/804953233.db2.gz UIZHKGPERMDDQA-ZDUSSCGKSA-N 2 2 262.357 0.943 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CC[N@H+]1CC1CC1 ZINC001276862376 804953240 /nfs/dbraw/zinc/95/32/40/804953240.db2.gz UIZHKGPERMDDQA-ZDUSSCGKSA-N 2 2 262.357 0.943 20 0 CCADLP CO[C@@H](C)C[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001225658757 805149077 /nfs/dbraw/zinc/14/90/77/805149077.db2.gz NEJISJCDPAEZHX-ZDUSSCGKSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[N@@H+]1CCO ZINC001088678530 815056785 /nfs/dbraw/zinc/05/67/85/815056785.db2.gz XFWVXJSUQNOYSI-UPJWGTAASA-N 2 2 292.383 0.017 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[N@H+]1CCO ZINC001088678530 815056791 /nfs/dbraw/zinc/05/67/91/815056791.db2.gz XFWVXJSUQNOYSI-UPJWGTAASA-N 2 2 292.383 0.017 20 0 CCADLP COCC[NH2+]C1(CNC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001277093964 805187229 /nfs/dbraw/zinc/18/72/29/805187229.db2.gz GZNFDQPRCQMBAN-UHFFFAOYSA-N 2 2 293.367 0.518 20 0 CCADLP C[C@@H](O)C[NH+]1CCC(NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001227139116 805325762 /nfs/dbraw/zinc/32/57/62/805325762.db2.gz VWWKGVJUNKSIHX-LLVKDONJSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H](CC(=O)NC1CC[NH+](CCCO)CC1)n1cc[nH+]c1 ZINC001229393388 805528514 /nfs/dbraw/zinc/52/85/14/805528514.db2.gz QIIFKHRSCKEEGF-CYBMUJFWSA-N 2 2 294.399 0.797 20 0 CCADLP O[C@@H](C[NH2+][C@H]1CCC[NH2+]C1)COc1cccc(F)c1 ZINC001245979133 807104888 /nfs/dbraw/zinc/10/48/88/807104888.db2.gz IBTDUNDKIRORCY-STQMWFEESA-N 2 2 268.332 0.907 20 0 CCADLP CCC[C@@H](O)C[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001245983433 807106703 /nfs/dbraw/zinc/10/67/03/807106703.db2.gz GLBDKBGWFRRYOB-CHWSQXEVSA-N 3 2 255.406 0.611 20 0 CCADLP [NH3+][C@]12CC[C@@H]1C[N@H+](C[C@H](O)COc1ccccc1)C2 ZINC001246048457 807133585 /nfs/dbraw/zinc/13/35/85/807133585.db2.gz XHXKAFZEBUVWEB-IPYPFGDCSA-N 2 2 262.353 0.849 20 0 CCADLP [NH3+][C@]12CC[C@@H]1C[N@@H+](C[C@H](O)COc1ccccc1)C2 ZINC001246048457 807133589 /nfs/dbraw/zinc/13/35/89/807133589.db2.gz XHXKAFZEBUVWEB-IPYPFGDCSA-N 2 2 262.353 0.849 20 0 CCADLP C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246075454 807142209 /nfs/dbraw/zinc/14/22/09/807142209.db2.gz FUZMDFXRDZEOHL-AVGNSLFASA-N 2 2 269.389 0.354 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N(C)c2nc(C[NH3+])ccc2C)C[NH2+]1 ZINC001246088460 807149577 /nfs/dbraw/zinc/14/95/77/807149577.db2.gz JZDZKHPQZGWACZ-NEPJUHHUSA-N 2 2 278.356 0.188 20 0 CCADLP O=C1CC[C@@H]2C[C@H]([NH2+][C@@H]3CC[NH2+]C[C@@H]3F)CCN12 ZINC001246099422 807152846 /nfs/dbraw/zinc/15/28/46/807152846.db2.gz QYHISPHLPDTCCR-WISYIIOYSA-N 2 2 255.337 0.429 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H](C)C[NH2+]2)CCN1 ZINC001246103233 807153861 /nfs/dbraw/zinc/15/38/61/807153861.db2.gz GUSSJGNVLMLPPY-MQYQWHSLSA-N 2 2 283.416 0.648 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](NC[C@@]2(C(F)(F)F)CC[NH2+]C2)C[NH2+]1 ZINC001246110903 807155708 /nfs/dbraw/zinc/15/57/08/807155708.db2.gz JEPXNWYRDSXWJG-WCABBAIRSA-N 2 2 295.305 0.022 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@]2(C(F)(F)F)CC[NH2+]C2)CN1 ZINC001246110903 807155713 /nfs/dbraw/zinc/15/57/13/807155713.db2.gz JEPXNWYRDSXWJG-WCABBAIRSA-N 2 2 295.305 0.022 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCC[NH2+]C2)C[C@H]1C(=O)OC ZINC001246121263 807160345 /nfs/dbraw/zinc/16/03/45/807160345.db2.gz VTQPZPSHWYRRAK-WUHRBBMRSA-N 2 2 298.383 0.459 20 0 CCADLP CCN1CC[C@@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1=O ZINC001246151269 807168520 /nfs/dbraw/zinc/16/85/20/807168520.db2.gz XHHZZBKIQCOMDD-ZIAGYGMSSA-N 3 2 294.443 0.461 20 0 CCADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2COC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246172541 807175571 /nfs/dbraw/zinc/17/55/71/807175571.db2.gz HRXYNYSLCWJVBO-JHJVBQTASA-N 3 2 253.390 0.628 20 0 CCADLP COC(=O)[C@H](O)[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccccc1 ZINC001246197947 807184028 /nfs/dbraw/zinc/18/40/28/807184028.db2.gz RQQXXUPVWURHMJ-UONOGXRCSA-N 2 2 278.352 0.603 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N2C[C@H](CC[NH3+])c3ccccc32)C[NH2+]1 ZINC001246235723 807194455 /nfs/dbraw/zinc/19/44/55/807194455.db2.gz KNPPPWUJXDZSIG-SCRDCRAPSA-N 2 2 289.379 0.843 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N[C@@H](C[NH3+])Cc2ccccc2)C[NH2+]1 ZINC001246271900 807204584 /nfs/dbraw/zinc/20/45/84/807204584.db2.gz XSKOEWMYCDKQNL-RDBSUJKOSA-N 2 2 277.368 0.050 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCc2cccc(F)c2C1 ZINC001246302340 807214714 /nfs/dbraw/zinc/21/47/14/807214714.db2.gz DARPDOLJFDNNPQ-SLEUVZQESA-N 2 2 264.344 0.853 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@@H]1[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC001246306572 807217392 /nfs/dbraw/zinc/21/73/92/807217392.db2.gz KUCREZHPFAYGJE-ONGXEEELSA-N 2 2 281.322 0.183 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H](N[C@@H]2CCC[NH2+][C@@H]2C)C[NH2+]1 ZINC001246329976 807223647 /nfs/dbraw/zinc/22/36/47/807223647.db2.gz TYCWZYTWTCXSPB-GFQSEFKGSA-N 2 2 269.389 0.400 20 0 CCADLP c1cc(C[N@@H+]2CC[C@H](NC3CC[NH2+]CC3)C2)ccn1 ZINC001246362158 807233402 /nfs/dbraw/zinc/23/34/02/807233402.db2.gz NNTZVZSUUPIXGP-HNNXBMFYSA-N 2 2 260.385 0.998 20 0 CCADLP c1cc(C[N@H+]2CC[C@H](NC3CC[NH2+]CC3)C2)ccn1 ZINC001246362158 807233408 /nfs/dbraw/zinc/23/34/08/807233408.db2.gz NNTZVZSUUPIXGP-HNNXBMFYSA-N 2 2 260.385 0.998 20 0 CCADLP C[C@@H]1CC[C@H](N[C@@H]2CC[N@@H+](C3CC[NH2+]CC3)C2)C[NH2+]1 ZINC001246372829 807237375 /nfs/dbraw/zinc/23/73/75/807237375.db2.gz NIGPFTRADOJKGB-HZSPNIEDSA-N 3 2 266.433 0.543 20 0 CCADLP C[C@@H]1CC[C@H](N[C@@H]2CC[N@H+](C3CC[NH2+]CC3)C2)C[NH2+]1 ZINC001246372829 807237382 /nfs/dbraw/zinc/23/73/82/807237382.db2.gz NIGPFTRADOJKGB-HZSPNIEDSA-N 3 2 266.433 0.543 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N[C@H]2CCCC[C@H]2[NH3+])C[NH2+]1 ZINC001246477982 807260349 /nfs/dbraw/zinc/26/03/49/807260349.db2.gz LAEIGQMLSPSIGQ-NDBYEHHHSA-N 2 2 283.416 0.918 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H](O)[C@@H]([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246493365 807264954 /nfs/dbraw/zinc/26/49/54/807264954.db2.gz AQVQNDVQOWEWRS-POQQGIQPSA-N 2 2 284.400 0.809 20 0 CCADLP CC[C@@]1(C(=O)OC)C[C@H](N[C@H](C[NH3+])CC(C)C)C[NH2+]1 ZINC001246504264 807267270 /nfs/dbraw/zinc/26/72/70/807267270.db2.gz PUCYXDLNYKEVML-OBJOEFQTSA-N 2 2 271.405 0.633 20 0 CCADLP C[N@H+](C1CC[NH+](C)CC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246520268 807272534 /nfs/dbraw/zinc/27/25/34/807272534.db2.gz SPPKDWAFIOXRFS-ZDUSSCGKSA-N 3 2 252.406 0.106 20 0 CCADLP C[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246520268 807272538 /nfs/dbraw/zinc/27/25/38/807272538.db2.gz SPPKDWAFIOXRFS-ZDUSSCGKSA-N 3 2 252.406 0.106 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C[C@H]1O ZINC001246579775 807300431 /nfs/dbraw/zinc/30/04/31/807300431.db2.gz GVISXHURFQWGEZ-ZJIFWQFVSA-N 3 2 275.396 0.731 20 0 CCADLP [NH3+]C[C@H]1C[N@H+]([C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C[C@H]1O ZINC001246579775 807300438 /nfs/dbraw/zinc/30/04/38/807300438.db2.gz GVISXHURFQWGEZ-ZJIFWQFVSA-N 3 2 275.396 0.731 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](C2CC[NH+](CC3CC3)CC2)C[C@@H]1O ZINC001246585665 807307009 /nfs/dbraw/zinc/30/70/09/807307009.db2.gz PSVVEJVBKPUFEJ-JSGCOSHPSA-N 3 2 253.390 0.112 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](C2CC[NH+](CC3CC3)CC2)C[C@@H]1O ZINC001246585665 807307017 /nfs/dbraw/zinc/30/70/17/807307017.db2.gz PSVVEJVBKPUFEJ-JSGCOSHPSA-N 3 2 253.390 0.112 20 0 CCADLP CC(C)C[NH+]1CCC([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246586422 807308029 /nfs/dbraw/zinc/30/80/29/807308029.db2.gz QGYSHLPIXUUKQT-GXTWGEPZSA-N 3 2 255.406 0.358 20 0 CCADLP CC(C)C[NH+]1CCC([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246586422 807308036 /nfs/dbraw/zinc/30/80/36/807308036.db2.gz QGYSHLPIXUUKQT-GXTWGEPZSA-N 3 2 255.406 0.358 20 0 CCADLP CC[N@@H+]1CC[C@H](N2CC[NH2+]C3(CC[NH2+]CC3)C2)C1 ZINC001246595373 807314776 /nfs/dbraw/zinc/31/47/76/807314776.db2.gz MNWNOFAAMXWSHV-ZDUSSCGKSA-N 3 2 252.406 0.108 20 0 CCADLP CC[N@H+]1CC[C@H](N2CC[NH2+]C3(CC[NH2+]CC3)C2)C1 ZINC001246595373 807314785 /nfs/dbraw/zinc/31/47/85/807314785.db2.gz MNWNOFAAMXWSHV-ZDUSSCGKSA-N 3 2 252.406 0.108 20 0 CCADLP Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CC[N@H+]3[C@H]2CCC[NH2+]C2)cn1 ZINC001246716018 807364846 /nfs/dbraw/zinc/36/48/46/807364846.db2.gz TVYNBWVQGBZRCC-FPMFFAJLSA-N 2 2 289.383 0.352 20 0 CCADLP Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3[C@H]2CCC[NH2+]C2)cn1 ZINC001246716018 807364853 /nfs/dbraw/zinc/36/48/53/807364853.db2.gz TVYNBWVQGBZRCC-FPMFFAJLSA-N 2 2 289.383 0.352 20 0 CCADLP F[C@H]1CC[N@@H+](C2CN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)C1 ZINC001246825683 807397362 /nfs/dbraw/zinc/39/73/62/807397362.db2.gz WCKACAKCOCGXIL-ACJTYDJDSA-N 2 2 253.365 0.997 20 0 CCADLP F[C@H]1CC[N@H+](C2CN(C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)C1 ZINC001246825683 807397370 /nfs/dbraw/zinc/39/73/70/807397370.db2.gz WCKACAKCOCGXIL-ACJTYDJDSA-N 2 2 253.365 0.997 20 0 CCADLP C[C@H]1C[C@@H]([NH+]2CCN(c3ncccc3N)CC2)CC[NH2+]1 ZINC001246856853 807409310 /nfs/dbraw/zinc/40/93/10/807409310.db2.gz WIDVJADMVOKUIX-STQMWFEESA-N 2 2 275.400 0.926 20 0 CCADLP CCOC(=O)c1cnc2n1CC[N@H+](C1CC[NH2+]CC1)CC2 ZINC001246859978 807410247 /nfs/dbraw/zinc/41/02/47/807410247.db2.gz REGYQHIFTTWOSR-UHFFFAOYSA-N 2 2 292.383 0.670 20 0 CCADLP CCOC(=O)c1cnc2n1CC[N@@H+](C1CC[NH2+]CC1)CC2 ZINC001246859978 807410249 /nfs/dbraw/zinc/41/02/49/807410249.db2.gz REGYQHIFTTWOSR-UHFFFAOYSA-N 2 2 292.383 0.670 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)CN1 ZINC001246922720 807429000 /nfs/dbraw/zinc/42/90/00/807429000.db2.gz XUMMAWXCXUPDPY-XDQVBPFNSA-N 2 2 281.400 0.306 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)CN1 ZINC001246922720 807429002 /nfs/dbraw/zinc/42/90/02/807429002.db2.gz XUMMAWXCXUPDPY-XDQVBPFNSA-N 2 2 281.400 0.306 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH+]2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)CN1 ZINC001246922720 807429006 /nfs/dbraw/zinc/42/90/06/807429006.db2.gz XUMMAWXCXUPDPY-XDQVBPFNSA-N 2 2 281.400 0.306 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH+]2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)CN1 ZINC001246922720 807429009 /nfs/dbraw/zinc/42/90/09/807429009.db2.gz XUMMAWXCXUPDPY-XDQVBPFNSA-N 2 2 281.400 0.306 20 0 CCADLP COCC[N@H+]([C@H]1CSC2(C[NH2+]C2)C1)[C@H]1CCC[NH2+]C1 ZINC001246927636 807430897 /nfs/dbraw/zinc/43/08/97/807430897.db2.gz HOTDFXVZBXCCGI-QWHCGFSZSA-N 3 2 285.457 0.534 20 0 CCADLP COCC[N@@H+]([C@H]1CSC2(C[NH2+]C2)C1)[C@H]1CCC[NH2+]C1 ZINC001246927636 807430904 /nfs/dbraw/zinc/43/09/04/807430904.db2.gz HOTDFXVZBXCCGI-QWHCGFSZSA-N 3 2 285.457 0.534 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N(c2ccccn2)[C@@H]2CC[NH2+]C2)C[NH2+]1 ZINC001246962402 807442316 /nfs/dbraw/zinc/44/23/16/807442316.db2.gz UGDGZIFGKZQLMD-AGIUHOORSA-N 2 2 290.367 0.153 20 0 CCADLP C[C@@H]1C[N@H+](C2CN([C@@H]3CCC[NH2+]C3)C2)C[C@H](C)O1 ZINC001246991595 807449694 /nfs/dbraw/zinc/44/96/94/807449694.db2.gz IURGDQUCTWDSIX-FRRDWIJNSA-N 2 2 253.390 0.532 20 0 CCADLP C[C@@H]1C[N@@H+](C2CN([C@@H]3CCC[NH2+]C3)C2)C[C@H](C)O1 ZINC001246991595 807449700 /nfs/dbraw/zinc/44/97/00/807449700.db2.gz IURGDQUCTWDSIX-FRRDWIJNSA-N 2 2 253.390 0.532 20 0 CCADLP N[C@H](C[NH3+])c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001249127007 807543179 /nfs/dbraw/zinc/54/31/79/807543179.db2.gz GDFXXFABRSYENR-LLVKDONJSA-N 2 2 270.296 0.881 20 0 CCADLP CC(C)[N@H+](C)[C@@H]1CCN(C[C@H](O)C[NH+]2CCOCC2)C1 ZINC001251025177 807645017 /nfs/dbraw/zinc/64/50/17/807645017.db2.gz UQSFCJIPDPRALP-HUUCEWRRSA-N 2 2 285.432 0.094 20 0 CCADLP CC(C)[N@@H+](C)[C@@H]1CCN(C[C@H](O)C[NH+]2CCOCC2)C1 ZINC001251025177 807645018 /nfs/dbraw/zinc/64/50/18/807645018.db2.gz UQSFCJIPDPRALP-HUUCEWRRSA-N 2 2 285.432 0.094 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1C[C@@H]2CC[C@H](C1)C2C(=O)OC ZINC001253188279 808023594 /nfs/dbraw/zinc/02/35/94/808023594.db2.gz UOMDDBBIBHXJHD-PEUVFPKISA-N 2 2 298.427 0.820 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1C[C@@H]2CC[C@H](C1)C2C(=O)OC ZINC001253188279 808023597 /nfs/dbraw/zinc/02/35/97/808023597.db2.gz UOMDDBBIBHXJHD-PEUVFPKISA-N 2 2 298.427 0.820 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]CCc1nncs1 ZINC001253212035 808035242 /nfs/dbraw/zinc/03/52/42/808035242.db2.gz LHQLCABGZQYSLK-SNVBAGLBSA-N 2 2 258.391 0.373 20 0 CCADLP CC[NH+]1C[C@@H]2C[NH+](C[C@H](O)C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001253689303 808116680 /nfs/dbraw/zinc/11/66/80/808116680.db2.gz RATMIZJMENTSHW-UPJWGTAASA-N 2 2 284.400 0.573 20 0 CCADLP C[NH+](C)Cc1cn(C[C@H]2C[C@]3(CCC[NH2+]3)CO2)nn1 ZINC001254067774 808176097 /nfs/dbraw/zinc/17/60/97/808176097.db2.gz VHEMNYTVXKYTHF-CHWSQXEVSA-N 2 2 265.361 0.251 20 0 CCADLP C[N@@H+]1CCC[C@@H]([NH2+]C2CC[NH+](CCO)CC2)CC1 ZINC001254504086 808245948 /nfs/dbraw/zinc/24/59/48/808245948.db2.gz SJXZQNIOEBQSQA-CYBMUJFWSA-N 3 2 255.406 0.517 20 0 CCADLP C[N@H+]1CCC[C@@H]([NH2+]C2CC[NH+](CCO)CC2)CC1 ZINC001254504086 808245951 /nfs/dbraw/zinc/24/59/51/808245951.db2.gz SJXZQNIOEBQSQA-CYBMUJFWSA-N 3 2 255.406 0.517 20 0 CCADLP C[N@@H+]1CCC[C@@H]([NH+]2CCN3C(=O)COC[C@H]3C2)CC1 ZINC001254528556 808256233 /nfs/dbraw/zinc/25/62/33/808256233.db2.gz HEWBPEFDZUHTOV-CHWSQXEVSA-N 2 2 267.373 0.014 20 0 CCADLP C[N@H+]1CCC[C@@H]([NH+]2CCN3C(=O)COC[C@H]3C2)CC1 ZINC001254528556 808256239 /nfs/dbraw/zinc/25/62/39/808256239.db2.gz HEWBPEFDZUHTOV-CHWSQXEVSA-N 2 2 267.373 0.014 20 0 CCADLP C[NH+]1CCC[C@@H]([N@@H+]2CCN3C(=O)COC[C@H]3C2)CC1 ZINC001254528556 808256251 /nfs/dbraw/zinc/25/62/51/808256251.db2.gz HEWBPEFDZUHTOV-CHWSQXEVSA-N 2 2 267.373 0.014 20 0 CCADLP C[NH+]1CCC[C@@H]([N@H+]2CCN3C(=O)COC[C@H]3C2)CC1 ZINC001254528556 808256259 /nfs/dbraw/zinc/25/62/59/808256259.db2.gz HEWBPEFDZUHTOV-CHWSQXEVSA-N 2 2 267.373 0.014 20 0 CCADLP C[C@@H](CC(=O)N(C)C[C@H](O)C[NH2+]CCF)n1cc[nH+]c1 ZINC001278810248 808279718 /nfs/dbraw/zinc/27/97/18/808279718.db2.gz LDXRCGWTPKWMKP-NWDGAFQWSA-N 2 2 286.351 0.213 20 0 CCADLP [NH3+]CCCOCCOCCC[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254839955 808285443 /nfs/dbraw/zinc/28/54/43/808285443.db2.gz YVQWEAPQUYTEJX-MRXNPFEDSA-N 3 2 299.459 0.832 20 0 CCADLP O[C@H]1CCCN(CC[NH2+][C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254848344 808287188 /nfs/dbraw/zinc/28/71/88/808287188.db2.gz OUFGEGZHACCWMK-CABCVRRESA-N 2 2 267.417 0.517 20 0 CCADLP C[C@@]1(CO)C[N@@H+](C2CC[NH+](C3CC3)CC2)CC[C@@H]1O ZINC001256076266 808467795 /nfs/dbraw/zinc/46/77/95/808467795.db2.gz XDXQQMACQVYDCD-GJZGRUSLSA-N 2 2 268.401 0.678 20 0 CCADLP C[C@@]1(CO)C[N@H+](C2CC[NH+](C3CC3)CC2)CC[C@@H]1O ZINC001256076266 808467800 /nfs/dbraw/zinc/46/78/00/808467800.db2.gz XDXQQMACQVYDCD-GJZGRUSLSA-N 2 2 268.401 0.678 20 0 CCADLP CCN(C(=O)[C@H]1CC2CC[NH+]1CC2)C1C[NH+](C)C1 ZINC001142628328 815208332 /nfs/dbraw/zinc/20/83/32/815208332.db2.gz BVGTZLSJPZOKPF-CYBMUJFWSA-N 2 2 251.374 0.633 20 0 CCADLP C[NH+]1CCC([NH+]2CCC3(CNC(=O)O3)CC2)CC1 ZINC001256209528 808481893 /nfs/dbraw/zinc/48/18/93/808481893.db2.gz XZAJCIZYCXSIMM-UHFFFAOYSA-N 2 2 253.346 0.655 20 0 CCADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC(=O)N2CCOCC2)C1 ZINC001256321096 808493870 /nfs/dbraw/zinc/49/38/70/808493870.db2.gz DQHPNSZFBKCTEO-KBPBESRZSA-N 2 2 283.416 0.696 20 0 CCADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H](C)CC(=O)N2CCOCC2)C1 ZINC001256321096 808493876 /nfs/dbraw/zinc/49/38/76/808493876.db2.gz DQHPNSZFBKCTEO-KBPBESRZSA-N 2 2 283.416 0.696 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](C2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC001256848586 808563792 /nfs/dbraw/zinc/56/37/92/808563792.db2.gz QKOWIYLYTCBQIQ-HNNXBMFYSA-N 3 2 276.384 0.710 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](C2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC001256848586 808563796 /nfs/dbraw/zinc/56/37/96/808563796.db2.gz QKOWIYLYTCBQIQ-HNNXBMFYSA-N 3 2 276.384 0.710 20 0 CCADLP COC(=O)CCC(=O)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC001257205144 808597264 /nfs/dbraw/zinc/59/72/64/808597264.db2.gz GQUCLBUGQNIPBK-UHFFFAOYSA-N 2 2 270.373 0.971 20 0 CCADLP CC(C)[NH+]1CCC([NH2+]C2CN(C3COC3)C2)CC1 ZINC001257212918 808599019 /nfs/dbraw/zinc/59/90/19/808599019.db2.gz GEMYODKNSGFYNT-UHFFFAOYSA-N 2 2 253.390 0.532 20 0 CCADLP CCCCOC(=O)CC[C@@H](C)[N@H+](CC[NH3+])CCO ZINC001257389254 808613916 /nfs/dbraw/zinc/61/39/16/808613916.db2.gz RLQHAHCKZJQIFI-GFCCVEGCSA-N 2 2 260.378 0.751 20 0 CCADLP CCCCOC(=O)CC[C@@H](C)[N@@H+](CC[NH3+])CCO ZINC001257389254 808613924 /nfs/dbraw/zinc/61/39/24/808613924.db2.gz RLQHAHCKZJQIFI-GFCCVEGCSA-N 2 2 260.378 0.751 20 0 CCADLP C[NH2+][C@H](C)CC[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC001262162813 809212848 /nfs/dbraw/zinc/21/28/48/809212848.db2.gz ZBCDDMDZVUWDCZ-NEPJUHHUSA-N 3 2 266.393 0.290 20 0 CCADLP C[C@@H]1C[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C[NH3+] ZINC001263130998 809455037 /nfs/dbraw/zinc/45/50/37/809455037.db2.gz KARZMSBBYQDSAT-VWYCJHECSA-N 2 2 250.346 0.784 20 0 CCADLP CCOC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](CC)CC)C1 ZINC000380964260 809531741 /nfs/dbraw/zinc/53/17/41/809531741.db2.gz QSDWWNSRWIPKHD-KGLIPLIRSA-N 2 2 286.416 0.964 20 0 CCADLP CCOC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](CC)CC)C1 ZINC000380964260 809531745 /nfs/dbraw/zinc/53/17/45/809531745.db2.gz QSDWWNSRWIPKHD-KGLIPLIRSA-N 2 2 286.416 0.964 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)CCc1[nH+]ccn1C ZINC001263730943 809558457 /nfs/dbraw/zinc/55/84/57/809558457.db2.gz PATWSHBPNVLEOZ-NSHDSACASA-N 2 2 252.362 0.809 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC001076461082 815299958 /nfs/dbraw/zinc/29/99/58/815299958.db2.gz PCXAXKXLSVGIOM-DZGCQCFKSA-N 2 2 288.395 0.905 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC001076461082 815299962 /nfs/dbraw/zinc/29/99/62/815299962.db2.gz PCXAXKXLSVGIOM-DZGCQCFKSA-N 2 2 288.395 0.905 20 0 CCADLP C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C[NH2+]CCCO)C1 ZINC001264001907 809620613 /nfs/dbraw/zinc/62/06/13/809620613.db2.gz MPPFKAKARIYPHO-OCCSQVGLSA-N 2 2 294.399 0.551 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[C@H]([NH2+]CCF)C1 ZINC001264437557 809657806 /nfs/dbraw/zinc/65/78/06/809657806.db2.gz CQSLCURVHKVMCN-XYPYZODXSA-N 2 2 268.336 0.715 20 0 CCADLP CC(C)[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001265543598 809801180 /nfs/dbraw/zinc/80/11/80/809801180.db2.gz NQQBUZDIKKLJPE-TXEJJXNPSA-N 2 2 250.346 0.988 20 0 CCADLP CC(C)[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001265543598 809801188 /nfs/dbraw/zinc/80/11/88/809801188.db2.gz NQQBUZDIKKLJPE-TXEJJXNPSA-N 2 2 250.346 0.988 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](CCCF)C[C@H]21 ZINC001076633211 815323798 /nfs/dbraw/zinc/32/37/98/815323798.db2.gz CXKJRHYIIGEOAT-QWHCGFSZSA-N 2 2 280.347 0.775 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@H+](CCCF)C[C@H]21 ZINC001076633211 815323803 /nfs/dbraw/zinc/32/38/03/815323803.db2.gz CXKJRHYIIGEOAT-QWHCGFSZSA-N 2 2 280.347 0.775 20 0 CCADLP C[N@H+](CCCNC(=O)Cn1cc[nH+]c1)CC[C@@H]1CCOC1 ZINC001265984470 809913358 /nfs/dbraw/zinc/91/33/58/809913358.db2.gz YMNCTWVFRZOGEA-CQSZACIVSA-N 2 2 294.399 0.748 20 0 CCADLP C[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)CC[C@@H]1CCOC1 ZINC001265984470 809913361 /nfs/dbraw/zinc/91/33/61/809913361.db2.gz YMNCTWVFRZOGEA-CQSZACIVSA-N 2 2 294.399 0.748 20 0 CCADLP CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[C@H](C)O ZINC001266051224 809927653 /nfs/dbraw/zinc/92/76/53/809927653.db2.gz NJVHOXIZGIOZHI-YNEHKIRRSA-N 2 2 294.399 0.722 20 0 CCADLP CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[C@H](C)O ZINC001266051224 809927656 /nfs/dbraw/zinc/92/76/56/809927656.db2.gz NJVHOXIZGIOZHI-YNEHKIRRSA-N 2 2 294.399 0.722 20 0 CCADLP CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[C@H](C)O ZINC001266051224 809927659 /nfs/dbraw/zinc/92/76/59/809927659.db2.gz NJVHOXIZGIOZHI-YNEHKIRRSA-N 2 2 294.399 0.722 20 0 CCADLP CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[C@H](C)O ZINC001266051224 809927661 /nfs/dbraw/zinc/92/76/61/809927661.db2.gz NJVHOXIZGIOZHI-YNEHKIRRSA-N 2 2 294.399 0.722 20 0 CCADLP CCCn1cncc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000702581576 809928995 /nfs/dbraw/zinc/92/89/95/809928995.db2.gz ZZTJYMLQPWCCFL-ZDUSSCGKSA-N 2 2 252.362 0.449 20 0 CCADLP CCCn1cncc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000702581576 809929000 /nfs/dbraw/zinc/92/90/00/809929000.db2.gz ZZTJYMLQPWCCFL-ZDUSSCGKSA-N 2 2 252.362 0.449 20 0 CCADLP C[C@H](CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[NH2+]CCO ZINC001266178880 809955897 /nfs/dbraw/zinc/95/58/97/809955897.db2.gz OJXRIOJWSBCORB-GHMZBOCLSA-N 2 2 268.361 0.065 20 0 CCADLP C[C@H](CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[NH2+]CCO ZINC001266178880 809955899 /nfs/dbraw/zinc/95/58/99/809955899.db2.gz OJXRIOJWSBCORB-GHMZBOCLSA-N 2 2 268.361 0.065 20 0 CCADLP COCCCC[NH2+]C1CC(N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001279301729 809974637 /nfs/dbraw/zinc/97/46/37/809974637.db2.gz PPDLANNCDWNVOB-UHFFFAOYSA-N 2 2 294.399 0.958 20 0 CCADLP [NH3+][C@H](CC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(F)F ZINC000724750848 811093937 /nfs/dbraw/zinc/09/39/37/811093937.db2.gz GVCYQKZPYBWRBY-IVZWLZJFSA-N 2 2 261.316 0.712 20 0 CCADLP [NH3+][C@H](CC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C(F)F ZINC000724750848 811093947 /nfs/dbraw/zinc/09/39/47/811093947.db2.gz GVCYQKZPYBWRBY-IVZWLZJFSA-N 2 2 261.316 0.712 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[N@@H+](CCF)C1CC1 ZINC001267338504 811173810 /nfs/dbraw/zinc/17/38/10/811173810.db2.gz YMONEJZJCFXTBJ-UHFFFAOYSA-N 2 2 268.336 0.742 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[N@H+](CCF)C1CC1 ZINC001267338504 811173805 /nfs/dbraw/zinc/17/38/05/811173805.db2.gz YMONEJZJCFXTBJ-UHFFFAOYSA-N 2 2 268.336 0.742 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCO ZINC001039685080 811266508 /nfs/dbraw/zinc/26/65/08/811266508.db2.gz IBVQQTMKNCJKTA-ZNMIVQPWSA-N 2 2 295.427 0.528 20 0 CCADLP C[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCO ZINC001039685080 811266528 /nfs/dbraw/zinc/26/65/28/811266528.db2.gz IBVQQTMKNCJKTA-ZNMIVQPWSA-N 2 2 295.427 0.528 20 0 CCADLP C[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCO ZINC001039685080 811266537 /nfs/dbraw/zinc/26/65/37/811266537.db2.gz IBVQQTMKNCJKTA-ZNMIVQPWSA-N 2 2 295.427 0.528 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCO ZINC001039685079 811267071 /nfs/dbraw/zinc/26/70/71/811267071.db2.gz IBVQQTMKNCJKTA-QLFBSQMISA-N 2 2 295.427 0.528 20 0 CCADLP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCO ZINC001039685079 811267082 /nfs/dbraw/zinc/26/70/82/811267082.db2.gz IBVQQTMKNCJKTA-QLFBSQMISA-N 2 2 295.427 0.528 20 0 CCADLP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCO ZINC001039685079 811267087 /nfs/dbraw/zinc/26/70/87/811267087.db2.gz IBVQQTMKNCJKTA-QLFBSQMISA-N 2 2 295.427 0.528 20 0 CCADLP C[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001105101854 811842149 /nfs/dbraw/zinc/84/21/49/811842149.db2.gz KBXRBDBLOMIRMP-MGPQQGTHSA-N 2 2 294.399 0.338 20 0 CCADLP CC[NH2+][C@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000721706599 811866066 /nfs/dbraw/zinc/86/60/66/811866066.db2.gz VWBFJUDMJOHZQT-RYUDHWBXSA-N 2 2 250.346 0.920 20 0 CCADLP C(CC1OCCO1)CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222491586 811920699 /nfs/dbraw/zinc/92/06/99/811920699.db2.gz FEIWEWWKMGJOFT-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP O=C(NC[C@@H]1CCC[N@H+]1CCO)[C@@H]1CCc2c[nH+]cn2C1 ZINC001027982185 812191755 /nfs/dbraw/zinc/19/17/55/812191755.db2.gz RPPMNGUKZMKKJP-OLZOCXBDSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(NC[C@@H]1CCC[N@@H+]1CCO)[C@@H]1CCc2c[nH+]cn2C1 ZINC001027982185 812191760 /nfs/dbraw/zinc/19/17/60/812191760.db2.gz RPPMNGUKZMKKJP-OLZOCXBDSA-N 2 2 292.383 0.018 20 0 CCADLP CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001268239830 812405948 /nfs/dbraw/zinc/40/59/48/812405948.db2.gz FWAXNKXQOFWGQY-GFCCVEGCSA-N 2 2 264.373 0.856 20 0 CCADLP CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001268239830 812405951 /nfs/dbraw/zinc/40/59/51/812405951.db2.gz FWAXNKXQOFWGQY-GFCCVEGCSA-N 2 2 264.373 0.856 20 0 CCADLP Cc1nc(C(N)=O)ccc1NC(=[NH2+])SCC[NH3+] ZINC001167911573 812590656 /nfs/dbraw/zinc/59/06/56/812590656.db2.gz AKHUQQHKGYTGNI-UHFFFAOYSA-N 2 2 253.331 0.527 20 0 CCADLP CCN(CC[NH2+]CCOC)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001268459102 812600552 /nfs/dbraw/zinc/60/05/52/812600552.db2.gz NOXPWXFWBVRWGQ-VXGBXAGGSA-N 2 2 280.372 0.598 20 0 CCADLP CCN(CC[NH2+]CCOC)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001268459102 812600557 /nfs/dbraw/zinc/60/05/57/812600557.db2.gz NOXPWXFWBVRWGQ-VXGBXAGGSA-N 2 2 280.372 0.598 20 0 CCADLP Cc1cc(C)c(-c2noc([C@H]3C[NH2+]C[C@@H]3[NH3+])n2)cn1 ZINC001211757866 812686023 /nfs/dbraw/zinc/68/60/23/812686023.db2.gz UXTCDBWISPWIFF-QWRGUYRKSA-N 2 2 259.313 0.763 20 0 CCADLP O=C(NC/C=C\C[NH2+]CCO)c1cccc2[nH+]ccn21 ZINC001268567813 812810588 /nfs/dbraw/zinc/81/05/88/812810588.db2.gz SQEAUBPKEGTIAP-UPHRSURJSA-N 2 2 274.324 0.202 20 0 CCADLP Cc1nc(C[NH2+]C/C=C\CNC(=O)[C@H]2CC[N@@H+](C)C2)co1 ZINC001268627775 812952728 /nfs/dbraw/zinc/95/27/28/812952728.db2.gz XGXWUPLMMLKLQD-SCOBNMCVSA-N 2 2 292.383 0.697 20 0 CCADLP Cc1nc(C[NH2+]C/C=C\CNC(=O)[C@H]2CC[N@H+](C)C2)co1 ZINC001268627775 812952733 /nfs/dbraw/zinc/95/27/33/812952733.db2.gz XGXWUPLMMLKLQD-SCOBNMCVSA-N 2 2 292.383 0.697 20 0 CCADLP Cn1cc(CC[NH2+]CCNC(=O)CCc2[nH]cc[nH+]2)cn1 ZINC001126437177 813587573 /nfs/dbraw/zinc/58/75/73/813587573.db2.gz VAMRAUGTFQSKLQ-UHFFFAOYSA-N 2 2 290.371 0.024 20 0 CCADLP O=C1[C@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)CCN1C1CCOCC1 ZINC000428030894 813732898 /nfs/dbraw/zinc/73/28/98/813732898.db2.gz FQRNJKHJEAHDSA-VHDGCEQUSA-N 2 2 293.411 0.450 20 0 CCADLP O=C1[C@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)CCN1C1CCOCC1 ZINC000428030894 813732899 /nfs/dbraw/zinc/73/28/99/813732899.db2.gz FQRNJKHJEAHDSA-VHDGCEQUSA-N 2 2 293.411 0.450 20 0 CCADLP C[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@]2(C1)C[N@H+](C)CCO2 ZINC001270618252 813841372 /nfs/dbraw/zinc/84/13/72/813841372.db2.gz WFAHKQIXNMHLGT-HOCLYGCPSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+]1CCCC[C@H]1C(=O)N1CCC[C@@]2(C1)C[N@@H+](C)CCO2 ZINC001270618252 813841382 /nfs/dbraw/zinc/84/13/82/813841382.db2.gz WFAHKQIXNMHLGT-HOCLYGCPSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+]1CCO[C@@]2(CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)C1 ZINC001270618252 813841393 /nfs/dbraw/zinc/84/13/93/813841393.db2.gz WFAHKQIXNMHLGT-HOCLYGCPSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+]1CCO[C@@]2(CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1 ZINC001270618252 813841404 /nfs/dbraw/zinc/84/14/04/813841404.db2.gz WFAHKQIXNMHLGT-HOCLYGCPSA-N 2 2 295.427 0.794 20 0 CCADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC000909436957 814024521 /nfs/dbraw/zinc/02/45/21/814024521.db2.gz WTIBMFAAZQFESH-KFWWJZLASA-N 2 2 295.427 0.528 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC000909436957 814024529 /nfs/dbraw/zinc/02/45/29/814024529.db2.gz WTIBMFAAZQFESH-KFWWJZLASA-N 2 2 295.427 0.528 20 0 CCADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000909436957 814024533 /nfs/dbraw/zinc/02/45/33/814024533.db2.gz WTIBMFAAZQFESH-KFWWJZLASA-N 2 2 295.427 0.528 20 0 CCADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000909436957 814024538 /nfs/dbraw/zinc/02/45/38/814024538.db2.gz WTIBMFAAZQFESH-KFWWJZLASA-N 2 2 295.427 0.528 20 0 CCADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC000909436955 814025025 /nfs/dbraw/zinc/02/50/25/814025025.db2.gz WTIBMFAAZQFESH-ILXRZTDVSA-N 2 2 295.427 0.528 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC000909436955 814025027 /nfs/dbraw/zinc/02/50/27/814025027.db2.gz WTIBMFAAZQFESH-ILXRZTDVSA-N 2 2 295.427 0.528 20 0 CCADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000909436955 814025035 /nfs/dbraw/zinc/02/50/35/814025035.db2.gz WTIBMFAAZQFESH-ILXRZTDVSA-N 2 2 295.427 0.528 20 0 CCADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000909436955 814025039 /nfs/dbraw/zinc/02/50/39/814025039.db2.gz WTIBMFAAZQFESH-ILXRZTDVSA-N 2 2 295.427 0.528 20 0 CCADLP COCC[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001203441630 814176347 /nfs/dbraw/zinc/17/63/47/814176347.db2.gz CNMDEUJVFGQYNC-STQMWFEESA-N 2 2 292.383 0.616 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H]1CCCCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001088433862 814686018 /nfs/dbraw/zinc/68/60/18/814686018.db2.gz HZPWQZGECXDMCN-ZIAGYGMSSA-N 2 2 294.399 0.625 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](CCC[C@@H]2CCOC2)C1 ZINC001030161888 815854463 /nfs/dbraw/zinc/85/44/63/815854463.db2.gz RHTWPKUSXJPVQH-HIFRSBDPSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](CCC[C@@H]2CCOC2)C1 ZINC001030161888 815854469 /nfs/dbraw/zinc/85/44/69/815854469.db2.gz RHTWPKUSXJPVQH-HIFRSBDPSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)NC2C[NH+](CCCC3CCC3)C2)C1 ZINC001030183289 815873411 /nfs/dbraw/zinc/87/34/11/815873411.db2.gz QPBCKSLQKFUDJO-HNNXBMFYSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)NC2C[NH+](CCCC3CCC3)C2)C1 ZINC001030183289 815873418 /nfs/dbraw/zinc/87/34/18/815873418.db2.gz QPBCKSLQKFUDJO-HNNXBMFYSA-N 2 2 295.427 0.698 20 0 CCADLP O=C(NC1C[NH+](CCCO)C1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001030306324 815967947 /nfs/dbraw/zinc/96/79/47/815967947.db2.gz PAIFPGVVJYXESY-GXTWGEPZSA-N 2 2 281.400 0.044 20 0 CCADLP O=C(NC1C[NH+](CCCO)C1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001030306324 815967949 /nfs/dbraw/zinc/96/79/49/815967949.db2.gz PAIFPGVVJYXESY-GXTWGEPZSA-N 2 2 281.400 0.044 20 0 CCADLP CC[NH+]1CC(NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001030328288 815977270 /nfs/dbraw/zinc/97/72/70/815977270.db2.gz BUUYEPKACFWOSX-CABCVRRESA-N 2 2 295.427 0.554 20 0 CCADLP CC[C@H](C(=O)NC[C@H](O)CNc1cc[nH+]c(C)n1)[NH+](C)C ZINC001105925925 816001884 /nfs/dbraw/zinc/00/18/84/816001884.db2.gz JMNOYNVIISPOAE-VXGBXAGGSA-N 2 2 295.387 0.014 20 0 CCADLP CC(C)C[N@@H+]1CC[C@H](C(=O)NC2C[NH+](CCCO)C2)C1 ZINC001030432828 816037148 /nfs/dbraw/zinc/03/71/48/816037148.db2.gz PJZPPUIEAXDKNA-ZDUSSCGKSA-N 2 2 283.416 0.147 20 0 CCADLP CC(C)C[N@H+]1CC[C@H](C(=O)NC2C[NH+](CCCO)C2)C1 ZINC001030432828 816037155 /nfs/dbraw/zinc/03/71/55/816037155.db2.gz PJZPPUIEAXDKNA-ZDUSSCGKSA-N 2 2 283.416 0.147 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CCO ZINC001106068770 816149186 /nfs/dbraw/zinc/14/91/86/816149186.db2.gz OQMXFMSCQNUEDT-VXGBXAGGSA-N 2 2 280.372 0.019 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CC1CC1 ZINC001089074268 816235628 /nfs/dbraw/zinc/23/56/28/816235628.db2.gz VVMUEAYWROPJOK-YPMHNXCESA-N 2 2 262.357 0.872 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CC1CC1 ZINC001089074268 816235633 /nfs/dbraw/zinc/23/56/33/816235633.db2.gz VVMUEAYWROPJOK-YPMHNXCESA-N 2 2 262.357 0.872 20 0 CCADLP C[C@H](O)C[NH+]1CC(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001030742307 816259107 /nfs/dbraw/zinc/25/91/07/816259107.db2.gz RCYJDWGGVFHUOR-FZMZJTMJSA-N 2 2 281.400 0.042 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NC2C[NH+](CCCF)C2)CC[N@@H+]1C ZINC001030844879 816338276 /nfs/dbraw/zinc/33/82/76/816338276.db2.gz MJMWJMMISVETMN-RYUDHWBXSA-N 2 2 271.380 0.877 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NC2C[NH+](CCCF)C2)CC[N@H+]1C ZINC001030844879 816338282 /nfs/dbraw/zinc/33/82/82/816338282.db2.gz MJMWJMMISVETMN-RYUDHWBXSA-N 2 2 271.380 0.877 20 0 CCADLP C[NH+]1CCC(C(=O)NC2C[NH+](CCCF)C2)CC1 ZINC001030891915 816401151 /nfs/dbraw/zinc/40/11/51/816401151.db2.gz UWBFLIQFHFFRMH-UHFFFAOYSA-N 2 2 257.353 0.488 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001030959357 816504062 /nfs/dbraw/zinc/50/40/62/816504062.db2.gz AKJPEMJJQWYKJG-ZYHUDNBSSA-N 2 2 257.353 0.344 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001030959357 816504066 /nfs/dbraw/zinc/50/40/66/816504066.db2.gz AKJPEMJJQWYKJG-ZYHUDNBSSA-N 2 2 257.353 0.344 20 0 CCADLP C[C@@H](F)CC[NH+]1CC(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001030959258 816504389 /nfs/dbraw/zinc/50/43/89/816504389.db2.gz FPUFKDBKGCFIQT-VXGBXAGGSA-N 2 2 271.380 0.877 20 0 CCADLP CCC[NH+]1CC(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001030959625 816505179 /nfs/dbraw/zinc/50/51/79/816505179.db2.gz DBNUWRJMONXYNI-GFCCVEGCSA-N 2 2 276.384 0.964 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC1C[NH+](C[C@H]2CCOC2)C1 ZINC001031316674 816969942 /nfs/dbraw/zinc/96/99/42/816969942.db2.gz OETQYEXULHROFB-LLVKDONJSA-N 2 2 278.356 0.098 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC1C[NH+](C[C@H]2CCCCO2)C1 ZINC001031392171 817024381 /nfs/dbraw/zinc/02/43/81/817024381.db2.gz ZBBODHZIEQPZNS-CQSZACIVSA-N 2 2 292.383 0.561 20 0 CCADLP C[C@@H](O)C[NH+]1CC(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001031433586 817052413 /nfs/dbraw/zinc/05/24/13/817052413.db2.gz MSFSDTDDUZARON-GFCCVEGCSA-N 2 2 291.395 0.543 20 0 CCADLP C[C@@H]1C[C@H](C[NH+]2CC(NC(=O)Cn3cc[nH+]c3)C2)CCO1 ZINC001031476617 817071790 /nfs/dbraw/zinc/07/17/90/817071790.db2.gz YMCYPYHNJJLNPZ-CHWSQXEVSA-N 2 2 292.383 0.499 20 0 CCADLP CC[NH+]1CC(CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001031799839 817374361 /nfs/dbraw/zinc/37/43/61/817374361.db2.gz LFMOEJFKQFTOLD-UHFFFAOYSA-N 2 2 266.345 0.418 20 0 CCADLP CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@@H](O)C1 ZINC001083768478 817428428 /nfs/dbraw/zinc/42/84/28/817428428.db2.gz CXODWFCIPDJVQX-WCQGTBRESA-N 2 2 278.356 0.011 20 0 CCADLP CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@@H](O)C1 ZINC001083768478 817428432 /nfs/dbraw/zinc/42/84/32/817428432.db2.gz CXODWFCIPDJVQX-WCQGTBRESA-N 2 2 278.356 0.011 20 0 CCADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCC[NH2+]CCF)[nH]n1 ZINC001127774344 817854747 /nfs/dbraw/zinc/85/47/47/817854747.db2.gz YIMUHFSPEWTHNU-LBPRGKRZSA-N 2 2 283.351 0.465 20 0 CCADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)NCC[NH2+]CCF)[nH]n1 ZINC001127774344 817854752 /nfs/dbraw/zinc/85/47/52/817854752.db2.gz YIMUHFSPEWTHNU-LBPRGKRZSA-N 2 2 283.351 0.465 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ncnc3[nH]cc(F)c32)CC1 ZINC001168736151 818542354 /nfs/dbraw/zinc/54/23/54/818542354.db2.gz KUIDJQMYXZXUKM-UHFFFAOYSA-N 2 2 277.307 0.691 20 0 CCADLP CN(C)c1ccnc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001168736407 818546630 /nfs/dbraw/zinc/54/66/30/818546630.db2.gz LIHFNSOIAQGFKK-UHFFFAOYSA-N 2 2 263.349 0.137 20 0 CCADLP C[C@H](CC[NH2+]CCO)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001273066189 818553880 /nfs/dbraw/zinc/55/38/80/818553880.db2.gz AJMVRHPACUBDNB-GHMZBOCLSA-N 2 2 268.361 0.065 20 0 CCADLP C[C@H](CC[NH2+]CCO)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001273066189 818553884 /nfs/dbraw/zinc/55/38/84/818553884.db2.gz AJMVRHPACUBDNB-GHMZBOCLSA-N 2 2 268.361 0.065 20 0 CCADLP COc1c(C)ncnc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168737299 818561199 /nfs/dbraw/zinc/56/11/99/818561199.db2.gz XVYCXRYPJFYPCB-UHFFFAOYSA-N 2 2 264.333 0.388 20 0 CCADLP Cc1cc(NC(=[NH2+])N2CC[NH+](C)CC2)c2ncnn2c1 ZINC001168737486 818567769 /nfs/dbraw/zinc/56/77/69/818567769.db2.gz ZUZBRQNPVJNNPL-UHFFFAOYSA-N 2 2 273.344 0.632 20 0 CCADLP COc1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)nc1C ZINC001168746098 818626965 /nfs/dbraw/zinc/62/69/65/818626965.db2.gz BPYNZWMVDZMGKH-UHFFFAOYSA-N 2 2 263.345 0.993 20 0 CCADLP COCOc1cncc(NC(=[NH2+])N2CC[NH+](C)CC2)c1 ZINC001168746084 818627156 /nfs/dbraw/zinc/62/71/56/818627156.db2.gz APGYUQYXMOWRBQ-UHFFFAOYSA-N 2 2 279.344 0.658 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](CCF)C2)O1 ZINC001033197375 818635822 /nfs/dbraw/zinc/63/58/22/818635822.db2.gz PLPRXXDSTRAHLN-FRRDWIJNSA-N 2 2 287.379 0.208 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CC[NH+](CCF)C2)O1 ZINC001033197375 818635826 /nfs/dbraw/zinc/63/58/26/818635826.db2.gz PLPRXXDSTRAHLN-FRRDWIJNSA-N 2 2 287.379 0.208 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@H+](CCF)C2)O1 ZINC001033197375 818635831 /nfs/dbraw/zinc/63/58/31/818635831.db2.gz PLPRXXDSTRAHLN-FRRDWIJNSA-N 2 2 287.379 0.208 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@H]2CC[N@@H+](CCF)C2)O1 ZINC001033197375 818635834 /nfs/dbraw/zinc/63/58/34/818635834.db2.gz PLPRXXDSTRAHLN-FRRDWIJNSA-N 2 2 287.379 0.208 20 0 CCADLP CCC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033457936 818784188 /nfs/dbraw/zinc/78/41/88/818784188.db2.gz MZIUEFNOPFGSKB-GFCCVEGCSA-N 2 2 250.346 0.895 20 0 CCADLP CCC[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033457936 818784198 /nfs/dbraw/zinc/78/41/98/818784198.db2.gz MZIUEFNOPFGSKB-GFCCVEGCSA-N 2 2 250.346 0.895 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001033621393 818855053 /nfs/dbraw/zinc/85/50/53/818855053.db2.gz VCVULWZDNLZQBQ-CMPLNLGQSA-N 2 2 280.372 0.174 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001033621393 818855057 /nfs/dbraw/zinc/85/50/57/818855057.db2.gz VCVULWZDNLZQBQ-CMPLNLGQSA-N 2 2 280.372 0.174 20 0 CCADLP COCC[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033704270 818891629 /nfs/dbraw/zinc/89/16/29/818891629.db2.gz RKAIOKQHCTVATB-LBPRGKRZSA-N 2 2 266.345 0.062 20 0 CCADLP O=C(N[C@@H]1CCCC[N@@H+](CCO)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001034252006 819142515 /nfs/dbraw/zinc/14/25/15/819142515.db2.gz GEOJEERAONMHTL-JHJVBQTASA-N 2 2 292.383 0.476 20 0 CCADLP O=C(N[C@@H]1CCCC[N@H+](CCO)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001034252006 819142523 /nfs/dbraw/zinc/14/25/23/819142523.db2.gz GEOJEERAONMHTL-JHJVBQTASA-N 2 2 292.383 0.476 20 0 CCADLP O=C(N[C@@H]1CCCC[N@@H+](CCO)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001034252006 819142530 /nfs/dbraw/zinc/14/25/30/819142530.db2.gz GEOJEERAONMHTL-JHJVBQTASA-N 2 2 292.383 0.476 20 0 CCADLP O=C(N[C@@H]1CCCC[N@H+](CCO)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001034252006 819142535 /nfs/dbraw/zinc/14/25/35/819142535.db2.gz GEOJEERAONMHTL-JHJVBQTASA-N 2 2 292.383 0.476 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[N@H+](CCO)C1 ZINC001034504000 819224311 /nfs/dbraw/zinc/22/43/11/819224311.db2.gz WGSISWBIGPUCOE-LBPRGKRZSA-N 2 2 280.372 0.224 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[N@@H+](CCO)C1 ZINC001034504000 819224318 /nfs/dbraw/zinc/22/43/18/819224318.db2.gz WGSISWBIGPUCOE-LBPRGKRZSA-N 2 2 280.372 0.224 20 0 CCADLP CC[C@@H](C[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1)OC ZINC001128967411 819236816 /nfs/dbraw/zinc/23/68/16/819236816.db2.gz PIHINNYBEPVTPP-LBPRGKRZSA-N 2 2 268.361 0.473 20 0 CCADLP CC[C@@H](C[NH2+]CCNC(=O)CCc1c[nH+]c[nH]1)OC ZINC001128967411 819236823 /nfs/dbraw/zinc/23/68/23/819236823.db2.gz PIHINNYBEPVTPP-LBPRGKRZSA-N 2 2 268.361 0.473 20 0 CCADLP CCS(=O)(=O)C1(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000703512749 819273854 /nfs/dbraw/zinc/27/38/54/819273854.db2.gz WUVAYWLCLOEDJH-NWBUJAPZSA-N 2 2 284.425 0.540 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+]C[C@@H]1CCCOC1 ZINC001128992087 819306792 /nfs/dbraw/zinc/30/67/92/819306792.db2.gz OGDVJKSPRGOKFF-LBPRGKRZSA-N 2 2 280.372 0.475 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC[NH2+]C[C@@H]1CCCOC1 ZINC001128992087 819306797 /nfs/dbraw/zinc/30/67/97/819306797.db2.gz OGDVJKSPRGOKFF-LBPRGKRZSA-N 2 2 280.372 0.475 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]1C[NH2+]C[C@@H]1CCOC1 ZINC001035061941 819386569 /nfs/dbraw/zinc/38/65/69/819386569.db2.gz BRBFRDFRVDHAQZ-GXTWGEPZSA-N 2 2 292.383 0.569 20 0 CCADLP CC(C)[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001035063124 819387452 /nfs/dbraw/zinc/38/74/52/819387452.db2.gz PZHJJOMTLFVCOS-GFCCVEGCSA-N 2 2 250.346 0.941 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cs1 ZINC000705794001 819566626 /nfs/dbraw/zinc/56/66/26/819566626.db2.gz NLCQFGHNBAEDLU-CYBMUJFWSA-N 2 2 284.381 0.691 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cs1 ZINC000705794001 819566630 /nfs/dbraw/zinc/56/66/30/819566630.db2.gz NLCQFGHNBAEDLU-CYBMUJFWSA-N 2 2 284.381 0.691 20 0 CCADLP C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1[NH2+]CCO ZINC001036015352 819673321 /nfs/dbraw/zinc/67/33/21/819673321.db2.gz NITRNULHMLTVDI-NWDGAFQWSA-N 2 2 280.372 0.161 20 0 CCADLP [NH3+]Cc1nc(=O)[nH]n1-c1cc[nH+]c(N2CCCCC2)c1 ZINC001168760691 819747560 /nfs/dbraw/zinc/74/75/60/819747560.db2.gz DYOLINWICMADOT-UHFFFAOYSA-N 2 2 274.328 0.817 20 0 CCADLP C[NH+](C)CC1(O)CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000710624883 819858849 /nfs/dbraw/zinc/85/88/49/819858849.db2.gz YRLCNXCQLCISKP-UHFFFAOYSA-N 2 2 272.389 0.717 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCF)C[C@H]2C)C1 ZINC001080979620 820662399 /nfs/dbraw/zinc/66/23/99/820662399.db2.gz VQNCXHRMQWHXED-JHJVBQTASA-N 2 2 287.379 0.113 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](CCF)C[C@H]2C)C1 ZINC001080979620 820662405 /nfs/dbraw/zinc/66/24/05/820662405.db2.gz VQNCXHRMQWHXED-JHJVBQTASA-N 2 2 287.379 0.113 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2C)C1 ZINC001080979620 820662409 /nfs/dbraw/zinc/66/24/09/820662409.db2.gz VQNCXHRMQWHXED-JHJVBQTASA-N 2 2 287.379 0.113 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2C)C1 ZINC001080979620 820662414 /nfs/dbraw/zinc/66/24/14/820662414.db2.gz VQNCXHRMQWHXED-JHJVBQTASA-N 2 2 287.379 0.113 20 0 CCADLP CO[C@@H]1C[N@H+](CC(C)C)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001082346036 820938602 /nfs/dbraw/zinc/93/86/02/820938602.db2.gz NDVBGFSONZKEAW-ZIAGYGMSSA-N 2 2 294.399 0.732 20 0 CCADLP CO[C@@H]1C[N@@H+](CC(C)C)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001082346036 820938607 /nfs/dbraw/zinc/93/86/07/820938607.db2.gz NDVBGFSONZKEAW-ZIAGYGMSSA-N 2 2 294.399 0.732 20 0 CCADLP CC[C@@H](F)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001084059795 821191198 /nfs/dbraw/zinc/19/11/98/821191198.db2.gz ZZODSXPNIFHFTF-UPJWGTAASA-N 2 2 298.362 0.101 20 0 CCADLP CC[C@@H](F)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001084059795 821191199 /nfs/dbraw/zinc/19/11/99/821191199.db2.gz ZZODSXPNIFHFTF-UPJWGTAASA-N 2 2 298.362 0.101 20 0 CCADLP CC(C)CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084115536 821195616 /nfs/dbraw/zinc/19/56/16/821195616.db2.gz WZOFFMXDSYCBCD-OLZOCXBDSA-N 2 2 280.372 0.091 20 0 CCADLP CC(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084115536 821195621 /nfs/dbraw/zinc/19/56/21/821195621.db2.gz WZOFFMXDSYCBCD-OLZOCXBDSA-N 2 2 280.372 0.091 20 0 CCADLP CCC[NH2+]C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)CCO1 ZINC001273292534 821552866 /nfs/dbraw/zinc/55/28/66/821552866.db2.gz WZIZXOWDKAGVHC-ZDUSSCGKSA-N 2 2 294.399 0.580 20 0 CCADLP Cc1cc2c(nc[nH+]c2N[C@@H](C)CN2CC[NH2+]CC2)[nH]1 ZINC001154748972 821660262 /nfs/dbraw/zinc/66/02/62/821660262.db2.gz XPHZJGZSBFWULR-NSHDSACASA-N 2 2 274.372 0.972 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001085680453 821893840 /nfs/dbraw/zinc/89/38/40/821893840.db2.gz GZEBEZKRWXJSCC-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001085680453 821893850 /nfs/dbraw/zinc/89/38/50/821893850.db2.gz GZEBEZKRWXJSCC-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP O=C(NC[C@H]1C[C@H]([NH2+]CCF)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001086404953 822241763 /nfs/dbraw/zinc/24/17/63/822241763.db2.gz VDGFYOKKSUXFSA-JHJVBQTASA-N 2 2 294.374 0.899 20 0 CCADLP O=C(NC[C@H]1C[C@H]([NH2+]CCO)C1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001086475019 822272856 /nfs/dbraw/zinc/27/28/56/822272856.db2.gz HBBYKADPQGTPMU-IJLUTSLNSA-N 2 2 292.383 0.306 20 0 CCADLP O=C1CC[C@@H](CNc2ccc(N3CC[NH2+]CC3)c[nH+]2)N1 ZINC001156151966 822325013 /nfs/dbraw/zinc/32/50/13/822325013.db2.gz ZBAIWMLKXDGXCS-NSHDSACASA-N 2 2 275.356 0.182 20 0 CCADLP Cc1nc(NC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)cc[nH+]1 ZINC001108311594 822355375 /nfs/dbraw/zinc/35/53/75/822355375.db2.gz ILRJJCCBVDIEQQ-JQWIXIFHSA-N 2 2 277.372 0.796 20 0 CCADLP Cc1nc(NC[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)cc[nH+]1 ZINC001108311594 822355381 /nfs/dbraw/zinc/35/53/81/822355381.db2.gz ILRJJCCBVDIEQQ-JQWIXIFHSA-N 2 2 277.372 0.796 20 0 CCADLP C[N@H+](CC(=O)NCC[NH2+]Cc1ccon1)C1CCC1 ZINC001129526401 837519228 /nfs/dbraw/zinc/51/92/28/837519228.db2.gz FMGXILHZPZJPTE-UHFFFAOYSA-N 2 2 266.345 0.365 20 0 CCADLP C[N@@H+](CC(=O)NCC[NH2+]Cc1ccon1)C1CCC1 ZINC001129526401 837519232 /nfs/dbraw/zinc/51/92/32/837519232.db2.gz FMGXILHZPZJPTE-UHFFFAOYSA-N 2 2 266.345 0.365 20 0 CCADLP Cc1nonc1C[NH2+]CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129849824 837567771 /nfs/dbraw/zinc/56/77/71/837567771.db2.gz WPUMLUYLORIPPE-LBPRGKRZSA-N 2 2 295.387 0.458 20 0 CCADLP Cc1nonc1C[NH2+]CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129849824 837567778 /nfs/dbraw/zinc/56/77/78/837567778.db2.gz WPUMLUYLORIPPE-LBPRGKRZSA-N 2 2 295.387 0.458 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C)n1 ZINC001129950741 837590941 /nfs/dbraw/zinc/59/09/41/837590941.db2.gz ZDBMERJIANMCHE-PWSUYJOCSA-N 2 2 297.403 0.731 20 0 CCADLP CC(C)C[C@H](C(=O)NCC[NH2+][C@@H](C)C(N)=O)n1cc[nH+]c1 ZINC001130001839 837606509 /nfs/dbraw/zinc/60/65/09/837606509.db2.gz ZBHGTXLBXNGXIH-NWDGAFQWSA-N 2 2 295.387 0.050 20 0 CCADLP Cc1ccc(C(N)=O)c(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001157916215 837697662 /nfs/dbraw/zinc/69/76/62/837697662.db2.gz ONDCBNUALNBILA-UHFFFAOYSA-N 2 2 276.344 0.083 20 0 CCADLP COC[C@H]1CCCCN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001157922469 837701147 /nfs/dbraw/zinc/70/11/47/837701147.db2.gz OPUXMKMOLYAEGS-BYNQJWBRSA-N 2 2 267.373 0.236 20 0 CCADLP COCCCC[NH2+]CCNC(=O)Cc1c[nH+]ccc1OC ZINC001130176605 837712234 /nfs/dbraw/zinc/71/22/34/837712234.db2.gz VUGYZWNNNZRGBS-UHFFFAOYSA-N 2 2 295.383 0.765 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCC[NH2+]C[C@@H]2CCOC2)c[nH+]1 ZINC001130167654 837714799 /nfs/dbraw/zinc/71/47/99/837714799.db2.gz ZNYZWXBLOVXULA-ZDUSSCGKSA-N 2 2 294.399 0.669 20 0 CCADLP O=C(NCC[NH2+]Cc1cnon1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001130190218 837719762 /nfs/dbraw/zinc/71/97/62/837719762.db2.gz XMKQFPXEDHYWJN-STQMWFEESA-N 2 2 293.371 0.292 20 0 CCADLP O=C(NCC[NH2+]Cc1cnon1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001130190218 837719769 /nfs/dbraw/zinc/71/97/69/837719769.db2.gz XMKQFPXEDHYWJN-STQMWFEESA-N 2 2 293.371 0.292 20 0 CCADLP CC[C@H](C(=O)NCC[NH2+]Cc1nnc(C(C)C)[nH]1)[NH+](C)C ZINC001130197435 837721792 /nfs/dbraw/zinc/72/17/92/837721792.db2.gz IPADJXHTPQNICF-LLVKDONJSA-N 2 2 296.419 0.474 20 0 CCADLP Cc1ccnc(C[NH2+]CCNC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC001130297753 837753232 /nfs/dbraw/zinc/75/32/32/837753232.db2.gz QQQBARAHEBGWMA-CYBMUJFWSA-N 2 2 291.399 0.475 20 0 CCADLP Cc1ccnc(C[NH2+]CCNC(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC001130297753 837753243 /nfs/dbraw/zinc/75/32/43/837753243.db2.gz QQQBARAHEBGWMA-CYBMUJFWSA-N 2 2 291.399 0.475 20 0 CCADLP O=C(NCC[NH2+]Cc1ccccn1)[C@H]1CCc2[nH+]ccn2C1 ZINC001130477095 837801238 /nfs/dbraw/zinc/80/12/38/837801238.db2.gz AGMPHBBBNAXASL-ZDUSSCGKSA-N 2 2 299.378 0.747 20 0 CCADLP O=C(NCC[NH2+]CCCF)[C@H]1CCc2c[nH+]cn2C1 ZINC001130487968 837811478 /nfs/dbraw/zinc/81/14/78/837811478.db2.gz LXELCZFLMUHWNS-NSHDSACASA-N 2 2 268.336 0.511 20 0 CCADLP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC001183758978 844083892 /nfs/dbraw/zinc/08/38/92/844083892.db2.gz CNPZBIRGYCPXPC-LLVKDONJSA-N 2 2 295.387 0.490 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001183744897 844087907 /nfs/dbraw/zinc/08/79/07/844087907.db2.gz GMWCUWZZAYLACZ-NSHDSACASA-N 2 2 262.357 0.658 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001183744897 844087911 /nfs/dbraw/zinc/08/79/11/844087911.db2.gz GMWCUWZZAYLACZ-NSHDSACASA-N 2 2 262.357 0.658 20 0 CCADLP NC(=[NH2+])N(CCCC[NH3+])C(=O)CCc1ccc(N)[nH+]c1 ZINC001183935969 844115315 /nfs/dbraw/zinc/11/53/15/844115315.db2.gz NKGNLTLCMWVMKI-UHFFFAOYSA-N 3 2 278.360 0.057 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc(C2CCC2)nn1 ZINC001169072807 836125943 /nfs/dbraw/zinc/12/59/43/836125943.db2.gz ZLWGMTRQWXFAPY-LLVKDONJSA-N 2 2 273.340 0.792 20 0 CCADLP CC(C)Oc1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ccn1 ZINC001169073451 836126567 /nfs/dbraw/zinc/12/65/67/836126567.db2.gz HWIXUVNWPUGMJR-LLVKDONJSA-N 2 2 276.340 0.917 20 0 CCADLP [NH3+][C@@H](CO)Cc1cncn1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001169073201 836126643 /nfs/dbraw/zinc/12/66/43/836126643.db2.gz CEIFKHIQOHUGEI-CQSZACIVSA-N 2 2 297.362 0.979 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cnc2[nH]ccc2n1 ZINC001169074348 836127107 /nfs/dbraw/zinc/12/71/07/836127107.db2.gz KCSKTGJFWYFTAR-MRVPVSSYSA-N 2 2 258.285 0.006 20 0 CCADLP COc1ncc2cc[nH]c2c1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169074265 836127331 /nfs/dbraw/zinc/12/73/31/836127331.db2.gz IBYSOMTZSGGLSE-SNVBAGLBSA-N 2 2 287.323 0.619 20 0 CCADLP COCOc1cncc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1 ZINC001169076091 836130389 /nfs/dbraw/zinc/13/03/89/836130389.db2.gz MCONMADGQJQZPH-SNVBAGLBSA-N 2 2 278.312 0.112 20 0 CCADLP Cc1cncc(C[NH2+]CCCNC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001169203776 836158503 /nfs/dbraw/zinc/15/85/03/836158503.db2.gz BVIBBGMGBMPKOZ-UHFFFAOYSA-N 2 2 287.367 0.952 20 0 CCADLP Cc1noc(C)c1C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169199611 836159206 /nfs/dbraw/zinc/15/92/06/836159206.db2.gz MSIWGDPPVFGRMC-UHFFFAOYSA-N 2 2 291.355 0.853 20 0 CCADLP CC(C)COCC[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169205216 836168533 /nfs/dbraw/zinc/16/85/33/836168533.db2.gz VHDRBQOSVSRHSP-UHFFFAOYSA-N 2 2 282.388 0.721 20 0 CCADLP CCOC(=O)[C@H]1CC[C@H]([NH2+]CCc2[nH+]ccn2C)CO1 ZINC001169369534 836241068 /nfs/dbraw/zinc/24/10/68/836241068.db2.gz ZFDHUOMCIVGVIJ-NWDGAFQWSA-N 2 2 281.356 0.663 20 0 CCADLP CCOC(=O)N1CCC[C@H]([N@@H+]2CCO[C@H](C[NH3+])C2)CC1 ZINC001169645717 836401404 /nfs/dbraw/zinc/40/14/04/836401404.db2.gz BTUVVPQXWLAHFX-QWHCGFSZSA-N 2 2 285.388 0.657 20 0 CCADLP CCOC(=O)N1CCC[C@H]([N@H+]2CCO[C@H](C[NH3+])C2)CC1 ZINC001169645717 836401408 /nfs/dbraw/zinc/40/14/08/836401408.db2.gz BTUVVPQXWLAHFX-QWHCGFSZSA-N 2 2 285.388 0.657 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)C2([NH+](C)C)CCC2)co1 ZINC001129357952 836511887 /nfs/dbraw/zinc/51/18/87/836511887.db2.gz OOQVHOOJRUGNLA-UHFFFAOYSA-N 2 2 280.372 0.673 20 0 CCADLP CCCCOCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001113631728 837185200 /nfs/dbraw/zinc/18/52/00/837185200.db2.gz IKWNMARZSWTGSQ-HNNXBMFYSA-N 2 2 297.443 0.899 20 0 CCADLP CCCCOCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001113631728 837185204 /nfs/dbraw/zinc/18/52/04/837185204.db2.gz IKWNMARZSWTGSQ-HNNXBMFYSA-N 2 2 297.443 0.899 20 0 CCADLP C[C@@H](O)CCC[NH+]1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001113724370 837206559 /nfs/dbraw/zinc/20/65/59/837206559.db2.gz ZBAWLOMJLYSAJQ-CYBMUJFWSA-N 2 2 280.372 0.188 20 0 CCADLP O=C(NCC[NH2+]Cc1ncccn1)c1ccn2c[nH+]cc2c1 ZINC001130868046 837946743 /nfs/dbraw/zinc/94/67/43/837946743.db2.gz XTVNXAGQRMDISL-UHFFFAOYSA-N 2 2 296.334 0.644 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nc(Cl)nc2c1COC2 ZINC001158204181 837980972 /nfs/dbraw/zinc/98/09/72/837980972.db2.gz LMNLKECDNQFVGS-SSDOTTSWSA-N 2 2 295.730 0.208 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nccc2ncsc21 ZINC001158206229 837988403 /nfs/dbraw/zinc/98/84/03/837988403.db2.gz FBNJSBBCXLNFEB-MRVPVSSYSA-N 2 2 275.337 0.739 20 0 CCADLP C[C@H](O)CCC[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131652544 838168113 /nfs/dbraw/zinc/16/81/13/838168113.db2.gz KEBSUWQOCHSBDK-LBPRGKRZSA-N 2 2 282.388 0.220 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]CC1CCOCC1 ZINC001131656041 838171600 /nfs/dbraw/zinc/17/16/00/838171600.db2.gz ISSPRGKMNSXGCR-UHFFFAOYSA-N 2 2 294.399 0.485 20 0 CCADLP COCC[N@@H+]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132025120 838294066 /nfs/dbraw/zinc/29/40/66/838294066.db2.gz MEBJWWYIQDMRBG-CHWSQXEVSA-N 2 2 294.399 0.958 20 0 CCADLP COCC[N@H+]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132025120 838294073 /nfs/dbraw/zinc/29/40/73/838294073.db2.gz MEBJWWYIQDMRBG-CHWSQXEVSA-N 2 2 294.399 0.958 20 0 CCADLP CC(C)=CC[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132082995 838314015 /nfs/dbraw/zinc/31/40/15/838314015.db2.gz ZQIAOEWFBBCIOZ-UHFFFAOYSA-N 2 2 250.346 0.945 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@@H+]1CCCO ZINC001132090781 838315888 /nfs/dbraw/zinc/31/58/88/838315888.db2.gz MCLVTWKUCJJUAL-TZMCWYRMSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@H+]1CCCO ZINC001132090781 838315895 /nfs/dbraw/zinc/31/58/95/838315895.db2.gz MCLVTWKUCJJUAL-TZMCWYRMSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@@H+]1CCCO ZINC001132090781 838315905 /nfs/dbraw/zinc/31/59/05/838315905.db2.gz MCLVTWKUCJJUAL-TZMCWYRMSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@H+]1CCCO ZINC001132090781 838315915 /nfs/dbraw/zinc/31/59/15/838315915.db2.gz MCLVTWKUCJJUAL-TZMCWYRMSA-N 2 2 294.399 0.694 20 0 CCADLP CCOCC[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001133668384 838692370 /nfs/dbraw/zinc/69/23/70/838692370.db2.gz WDWNAMZIIRHDHV-LLVKDONJSA-N 2 2 280.372 0.572 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)C[N@H+]2CCC[C@@H]2C)nc1 ZINC001133819944 838725080 /nfs/dbraw/zinc/72/50/80/838725080.db2.gz SNCLDZUPMRCDMV-ZDUSSCGKSA-N 2 2 291.399 0.475 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)C[N@@H+]2CCC[C@@H]2C)nc1 ZINC001133819944 838725084 /nfs/dbraw/zinc/72/50/84/838725084.db2.gz SNCLDZUPMRCDMV-ZDUSSCGKSA-N 2 2 291.399 0.475 20 0 CCADLP Cc1ccnc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)n1 ZINC001133867430 838760090 /nfs/dbraw/zinc/76/00/90/838760090.db2.gz UNSKAMWCNCAJRB-WCQYABFASA-N 2 2 291.399 0.189 20 0 CCADLP Cc1ccnc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)n1 ZINC001133867430 838760098 /nfs/dbraw/zinc/76/00/98/838760098.db2.gz UNSKAMWCNCAJRB-WCQYABFASA-N 2 2 291.399 0.189 20 0 CCADLP C[NH+]1CC(CNc2cc[nH+]c(N3CCOCC3)n2)C1 ZINC001159220227 839027148 /nfs/dbraw/zinc/02/71/48/839027148.db2.gz VFBZYFDHJAALJA-UHFFFAOYSA-N 2 2 263.345 0.287 20 0 CCADLP OC[C@H]1C[NH2+]C[C@H]1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001170777822 839105928 /nfs/dbraw/zinc/10/59/28/839105928.db2.gz DDTVSQPWIKTEDG-DGCLKSJQSA-N 2 2 262.357 0.674 20 0 CCADLP C[C@@H](O)CCC[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001135080285 839156617 /nfs/dbraw/zinc/15/66/17/839156617.db2.gz PISVYSBVFPQKDZ-NWDGAFQWSA-N 2 2 282.388 0.455 20 0 CCADLP C[C@@H](O)CCC[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001135080285 839156620 /nfs/dbraw/zinc/15/66/20/839156620.db2.gz PISVYSBVFPQKDZ-NWDGAFQWSA-N 2 2 282.388 0.455 20 0 CCADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1C[NH2+]CCO ZINC001185372487 844411328 /nfs/dbraw/zinc/41/13/28/844411328.db2.gz YCGZXMPNOPOQPR-NWDGAFQWSA-N 2 2 280.372 0.019 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1cnsn1 ZINC001135511563 839282434 /nfs/dbraw/zinc/28/24/34/839282434.db2.gz SVKYJHIIGRPBCK-UHFFFAOYSA-N 2 2 271.390 0.086 20 0 CCADLP C[C@@H](C[C@H](C)[NH2+]CCCO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135552545 839292359 /nfs/dbraw/zinc/29/23/59/839292359.db2.gz HODIHYDFXUGVAA-QWRGUYRKSA-N 2 2 268.361 0.208 20 0 CCADLP Cc1nc(CC[NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)cs1 ZINC001135754380 839383808 /nfs/dbraw/zinc/38/38/08/839383808.db2.gz BIHRPRDVZVJJKR-UHFFFAOYSA-N 2 2 293.396 0.666 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CCC1CCOCC1 ZINC001135757893 839391793 /nfs/dbraw/zinc/39/17/93/839391793.db2.gz SZTCAGWORFLOMK-UHFFFAOYSA-N 2 2 280.372 0.475 20 0 CCADLP C[C@H](C[C@H](C)[NH2+]CCCO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135799246 839419158 /nfs/dbraw/zinc/41/91/58/839419158.db2.gz UHHLBKAMWXATNG-WDEREUQCSA-N 2 2 268.361 0.208 20 0 CCADLP CC[C@@]([NH3+])(CO)Nc1cc(-n2cc[nH+]c2C)ncn1 ZINC001170858640 839445082 /nfs/dbraw/zinc/44/50/82/839445082.db2.gz MHPABCSAANNSHN-LBPRGKRZSA-N 2 2 262.317 0.440 20 0 CCADLP COCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001136056396 839509097 /nfs/dbraw/zinc/50/90/97/839509097.db2.gz SUJTWRFPASNEGF-OLZOCXBDSA-N 2 2 296.415 0.872 20 0 CCADLP [NH3+]CCC[C@@H]([NH3+])Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC001170898762 839545970 /nfs/dbraw/zinc/54/59/70/839545970.db2.gz VKGHHHFTTHDUTN-LBPRGKRZSA-N 3 2 260.345 0.762 20 0 CCADLP [NH3+]CCC[C@@H]([NH3+])Nc1cc[nH+]c(N2CCCCC2)n1 ZINC001159787559 839581356 /nfs/dbraw/zinc/58/13/56/839581356.db2.gz XXPAEGHELMYSPN-NSHDSACASA-N 3 2 264.377 0.903 20 0 CCADLP F[C@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCN[C@@H](C(F)(F)F)C1 ZINC001246089599 839602696 /nfs/dbraw/zinc/60/26/96/839602696.db2.gz AETDHMHHYNRGDO-XFWSIPNHSA-N 2 2 269.286 0.959 20 0 CCADLP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001090680540 839732030 /nfs/dbraw/zinc/73/20/30/839732030.db2.gz WGLMGWMQCYRLAT-CHWSQXEVSA-N 2 2 292.383 0.470 20 0 CCADLP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001090680540 839732033 /nfs/dbraw/zinc/73/20/33/839732033.db2.gz WGLMGWMQCYRLAT-CHWSQXEVSA-N 2 2 292.383 0.470 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)NCC[NH+]1CCSCC1 ZINC001136727790 839738484 /nfs/dbraw/zinc/73/84/84/839738484.db2.gz ZFTWTTCLOMESKT-LLVKDONJSA-N 2 2 257.403 0.246 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)NCC[NH+]1CCSCC1 ZINC001136727790 839738490 /nfs/dbraw/zinc/73/84/90/839738490.db2.gz ZFTWTTCLOMESKT-LLVKDONJSA-N 2 2 257.403 0.246 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](C(C)C)C[C@H]1O ZINC001090766030 839787813 /nfs/dbraw/zinc/78/78/13/839787813.db2.gz ZWLMHHOWMDYELI-WCQYABFASA-N 2 2 280.372 0.220 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](C(C)C)C[C@H]1O ZINC001090766030 839787824 /nfs/dbraw/zinc/78/78/24/839787824.db2.gz ZWLMHHOWMDYELI-WCQYABFASA-N 2 2 280.372 0.220 20 0 CCADLP CCCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](O)C1 ZINC001090765142 839792218 /nfs/dbraw/zinc/79/22/18/839792218.db2.gz VHKVEULJCRUOBE-GXTWGEPZSA-N 2 2 294.399 0.612 20 0 CCADLP CCCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](O)C1 ZINC001090765142 839792227 /nfs/dbraw/zinc/79/22/27/839792227.db2.gz VHKVEULJCRUOBE-GXTWGEPZSA-N 2 2 294.399 0.612 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCCCCn1cc[nH+]c1 ZINC001144214051 839978852 /nfs/dbraw/zinc/97/88/52/839978852.db2.gz OKUCLFHHNRRMSS-UHFFFAOYSA-N 2 2 261.329 0.985 20 0 CCADLP CC1(C)CC([N@@H+]2C[C@@H]([NH3+])[C@H](O)C2)CC(C)(C)N1O ZINC001246556662 840002587 /nfs/dbraw/zinc/00/25/87/840002587.db2.gz JLZOWPAARWAXJX-GHMZBOCLSA-N 2 2 257.378 0.401 20 0 CCADLP CC1(C)CC([N@H+]2C[C@@H]([NH3+])[C@H](O)C2)CC(C)(C)N1O ZINC001246556662 840002595 /nfs/dbraw/zinc/00/25/95/840002595.db2.gz JLZOWPAARWAXJX-GHMZBOCLSA-N 2 2 257.378 0.401 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]CC[C@@H]1CCOC1 ZINC001171236799 840172952 /nfs/dbraw/zinc/17/29/52/840172952.db2.gz CVSPBOYROGBJNI-CYBMUJFWSA-N 2 2 294.399 0.485 20 0 CCADLP C[C@H]1CC[C@@H](N2CC[NH+](C3(C)CC[NH2+]CC3)CC2)C[NH2+]1 ZINC001246808009 840255055 /nfs/dbraw/zinc/25/50/55/840255055.db2.gz AXKOWCDWQVTGFZ-LSDHHAIUSA-N 3 2 280.460 0.887 20 0 CCADLP CC[N@H+](C)CCC(=O)NCC[NH2+]Cc1csnn1 ZINC001146719271 840355132 /nfs/dbraw/zinc/35/51/32/840355132.db2.gz NWKXVYIQHDAJOH-UHFFFAOYSA-N 2 2 271.390 0.086 20 0 CCADLP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1csnn1 ZINC001146719271 840355143 /nfs/dbraw/zinc/35/51/43/840355143.db2.gz NWKXVYIQHDAJOH-UHFFFAOYSA-N 2 2 271.390 0.086 20 0 CCADLP OC[C@@H]1CCn2nccc2C[N@@H+]1C1CC[NH2+]CC1 ZINC001246939757 840594687 /nfs/dbraw/zinc/59/46/87/840594687.db2.gz HAIWUTSKBKBETP-ZDUSSCGKSA-N 2 2 250.346 0.202 20 0 CCADLP OC[C@@H]1CCn2nccc2C[N@H+]1C1CC[NH2+]CC1 ZINC001246939757 840594693 /nfs/dbraw/zinc/59/46/93/840594693.db2.gz HAIWUTSKBKBETP-ZDUSSCGKSA-N 2 2 250.346 0.202 20 0 CCADLP C[C@@H]1CC[C@H](C[NH2+]CCNC(=O)Cc2c[nH+]cn2C)O1 ZINC001147871624 840708230 /nfs/dbraw/zinc/70/82/30/840708230.db2.gz FKKKXCIDBHUJBT-DGCLKSJQSA-N 2 2 280.372 0.236 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CC=C(Cl)Cl ZINC001147877617 840711377 /nfs/dbraw/zinc/71/13/77/840711377.db2.gz MUSPSNVOHBLMHI-UHFFFAOYSA-N 2 2 291.182 0.987 20 0 CCADLP C[N@H+]1CCOC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001273524829 844581669 /nfs/dbraw/zinc/58/16/69/844581669.db2.gz JOTWGUCXCGTVAL-AWEZNQCLSA-N 2 2 278.356 0.064 20 0 CCADLP Cn1c[nH+]cc1CN1CCC2(CC[NH+](C)CC2)C1=O ZINC001273525695 844592445 /nfs/dbraw/zinc/59/24/45/844592445.db2.gz WTIGUCASRSVOJS-UHFFFAOYSA-N 2 2 262.357 0.864 20 0 CCADLP O=S1(=O)CCC(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)CC1 ZINC000714999032 841237662 /nfs/dbraw/zinc/23/76/62/841237662.db2.gz OPJAHAJKHYGAIQ-UONOGXRCSA-N 2 2 286.441 0.885 20 0 CCADLP O=S1(=O)CCC(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)CC1 ZINC000714999032 841237671 /nfs/dbraw/zinc/23/76/71/841237671.db2.gz OPJAHAJKHYGAIQ-UONOGXRCSA-N 2 2 286.441 0.885 20 0 CCADLP COCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036830761 841337527 /nfs/dbraw/zinc/33/75/27/841337527.db2.gz ZYRLQUKJSJHUSR-OCCSQVGLSA-N 2 2 292.383 0.521 20 0 CCADLP COCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036830761 841337540 /nfs/dbraw/zinc/33/75/40/841337540.db2.gz ZYRLQUKJSJHUSR-OCCSQVGLSA-N 2 2 292.383 0.521 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]2[C@@H](CC[N@H+]2CCCO)C1 ZINC001036854277 841397921 /nfs/dbraw/zinc/39/79/21/841397921.db2.gz IRHMFZLJHNNRLS-QWHCGFSZSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCCO)C1 ZINC001036854277 841397935 /nfs/dbraw/zinc/39/79/35/841397935.db2.gz IRHMFZLJHNNRLS-QWHCGFSZSA-N 2 2 292.383 0.257 20 0 CCADLP Cc1nc(NCCNC(=O)C2(C[NH+](C)C)CC2)cc[nH+]1 ZINC001094089658 841528398 /nfs/dbraw/zinc/52/83/98/841528398.db2.gz FLHKRMCIPNSIID-UHFFFAOYSA-N 2 2 277.372 0.655 20 0 CCADLP COC(=O)[C@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCN1C ZINC001172127745 841836083 /nfs/dbraw/zinc/83/60/83/841836083.db2.gz LFXULTIEQVMDOM-CBBWQLFWSA-N 2 2 295.427 0.791 20 0 CCADLP COC(=O)[C@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCN1C ZINC001172127745 841836090 /nfs/dbraw/zinc/83/60/90/841836090.db2.gz LFXULTIEQVMDOM-CBBWQLFWSA-N 2 2 295.427 0.791 20 0 CCADLP COC(=O)[C@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCN1C ZINC001172127745 841836098 /nfs/dbraw/zinc/83/60/98/841836098.db2.gz LFXULTIEQVMDOM-CBBWQLFWSA-N 2 2 295.427 0.791 20 0 CCADLP COC(=O)[C@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCN1C ZINC001172127745 841836104 /nfs/dbraw/zinc/83/61/04/841836104.db2.gz LFXULTIEQVMDOM-CBBWQLFWSA-N 2 2 295.427 0.791 20 0 CCADLP COCc1nn(C2C[C@@H]3COC[C@H](C2)[N@@H+]3C)c2c1C[NH2+]C2 ZINC001172136478 841841849 /nfs/dbraw/zinc/84/18/49/841841849.db2.gz JZDXBKBOLZGWGR-YOGCLGLASA-N 2 2 292.383 0.667 20 0 CCADLP COCc1nn(C2C[C@@H]3COC[C@H](C2)[N@H+]3C)c2c1C[NH2+]C2 ZINC001172136478 841841860 /nfs/dbraw/zinc/84/18/60/841841860.db2.gz JZDXBKBOLZGWGR-YOGCLGLASA-N 2 2 292.383 0.667 20 0 CCADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCO[C@H](CO)C1)C2 ZINC001172120354 841852873 /nfs/dbraw/zinc/85/28/73/841852873.db2.gz KCGJIPCKIKTFSV-DGAVXFQQSA-N 2 2 254.374 0.695 20 0 CCADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCO[C@H](CO)C1)C2 ZINC001172120354 841852877 /nfs/dbraw/zinc/85/28/77/841852877.db2.gz KCGJIPCKIKTFSV-DGAVXFQQSA-N 2 2 254.374 0.695 20 0 CCADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCO[C@H](CO)C1)C2 ZINC001172120354 841852882 /nfs/dbraw/zinc/85/28/82/841852882.db2.gz KCGJIPCKIKTFSV-DGAVXFQQSA-N 2 2 254.374 0.695 20 0 CCADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCO[C@H](CO)C1)C2 ZINC001172120354 841852885 /nfs/dbraw/zinc/85/28/85/841852885.db2.gz KCGJIPCKIKTFSV-DGAVXFQQSA-N 2 2 254.374 0.695 20 0 CCADLP C[C@H]1C(=O)NCC[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123289 841854368 /nfs/dbraw/zinc/85/43/68/841854368.db2.gz ZGQCANJTFBBARE-RVMXOQNASA-N 2 2 251.374 0.822 20 0 CCADLP C[C@H]1C(=O)NCC[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123289 841854375 /nfs/dbraw/zinc/85/43/75/841854375.db2.gz ZGQCANJTFBBARE-RVMXOQNASA-N 2 2 251.374 0.822 20 0 CCADLP C[C@H]1C(=O)NCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172123289 841854384 /nfs/dbraw/zinc/85/43/84/841854384.db2.gz ZGQCANJTFBBARE-RVMXOQNASA-N 2 2 251.374 0.822 20 0 CCADLP C[C@H]1C(=O)NCC[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172123289 841854390 /nfs/dbraw/zinc/85/43/90/841854390.db2.gz ZGQCANJTFBBARE-RVMXOQNASA-N 2 2 251.374 0.822 20 0 CCADLP C[NH+]1CCN(C2C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)CC1 ZINC001172123426 841854929 /nfs/dbraw/zinc/85/49/29/841854929.db2.gz CMMQRALJFVZWQP-MUJYYYPQSA-N 3 2 292.471 0.933 20 0 CCADLP C[NH+]1CCN(C2C[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)CC1 ZINC001172123426 841854937 /nfs/dbraw/zinc/85/49/37/841854937.db2.gz CMMQRALJFVZWQP-MUJYYYPQSA-N 3 2 292.471 0.933 20 0 CCADLP CCOC(=O)[C@H]1CC12CCC([NH2+]C1(C[NH3+])COC1)CC2 ZINC001173605873 842117209 /nfs/dbraw/zinc/11/72/09/842117209.db2.gz ZJRAFZWSFKMEEJ-MBHSVXNSSA-N 2 2 282.384 0.816 20 0 CCADLP CO[C@@H](C)C[NH2+]CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001174684107 842201250 /nfs/dbraw/zinc/20/12/50/842201250.db2.gz ZRZBLVLRMZZMSF-JTQLQIEISA-N 2 2 268.361 0.391 20 0 CCADLP Cc1nc([C@H](C)[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C)no1 ZINC001176972302 842472832 /nfs/dbraw/zinc/47/28/32/842472832.db2.gz VQDLEDKXHNIACN-NSHDSACASA-N 2 2 297.403 0.875 20 0 CCADLP Cc1nc([C@H](C)[NH2+]CCCNC(=O)C[N@H+](C)C(C)C)no1 ZINC001176972302 842472836 /nfs/dbraw/zinc/47/28/36/842472836.db2.gz VQDLEDKXHNIACN-NSHDSACASA-N 2 2 297.403 0.875 20 0 CCADLP CCc1cnc(C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)o1 ZINC001177400832 842575617 /nfs/dbraw/zinc/57/56/17/842575617.db2.gz MYYAXQWBDCMMBP-UHFFFAOYSA-N 2 2 291.355 0.730 20 0 CCADLP Cc1cnc(C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)cn1 ZINC001177411385 842584635 /nfs/dbraw/zinc/58/46/35/842584635.db2.gz OTLFDGJIOPPXSP-UHFFFAOYSA-N 2 2 288.355 0.278 20 0 CCADLP CN(CC(=O)N1CCOC[C@@H]1C[NH+](C)C)c1cccc[nH+]1 ZINC001177412832 842585931 /nfs/dbraw/zinc/58/59/31/842585931.db2.gz VBDINXUUKNXHGG-ZDUSSCGKSA-N 2 2 292.383 0.307 20 0 CCADLP N=C(NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccco1)SCC[NH3+] ZINC001177628283 842639929 /nfs/dbraw/zinc/63/99/29/842639929.db2.gz OBXGGZPZXNEDML-NSHDSACASA-N 2 2 296.396 0.987 20 0 CCADLP N=C(NC(=O)[C@@H]1CCC[N@H+]1Cc1ccco1)SCC[NH3+] ZINC001177628283 842639935 /nfs/dbraw/zinc/63/99/35/842639935.db2.gz OBXGGZPZXNEDML-NSHDSACASA-N 2 2 296.396 0.987 20 0 CCADLP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)CCc1[nH]cc[nH+]1 ZINC001177994140 842735021 /nfs/dbraw/zinc/73/50/21/842735021.db2.gz DWPCECNELSTVNM-JTQLQIEISA-N 2 2 286.339 0.783 20 0 CCADLP CCn1nc(C)c(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)n1 ZINC001178528110 842868099 /nfs/dbraw/zinc/86/80/99/842868099.db2.gz KHAFCXCWNMIDQG-LLVKDONJSA-N 2 2 260.345 0.908 20 0 CCADLP C[C@H](O)C[NH2+]CCCCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001179690048 843035760 /nfs/dbraw/zinc/03/57/60/843035760.db2.gz XVSCNTGDCQKNDO-LBPRGKRZSA-N 2 2 282.388 0.599 20 0 CCADLP COC(=O)c1csc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)n1 ZINC001205256501 843968262 /nfs/dbraw/zinc/96/82/62/843968262.db2.gz OXUAWEBPINTKKV-CYBMUJFWSA-N 2 2 299.396 0.605 20 0 CCADLP COC(=O)c1csc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)n1 ZINC001205256501 843968263 /nfs/dbraw/zinc/96/82/63/843968263.db2.gz OXUAWEBPINTKKV-CYBMUJFWSA-N 2 2 299.396 0.605 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC001188157959 844849464 /nfs/dbraw/zinc/84/94/64/844849464.db2.gz ANBJDLMTMWLMCO-LLVKDONJSA-N 2 2 281.360 0.100 20 0 CCADLP C[C@H](O)CCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001188369088 844874937 /nfs/dbraw/zinc/87/49/37/844874937.db2.gz PSTDYMLOUHYPLS-QWHCGFSZSA-N 2 2 280.372 0.235 20 0 CCADLP CCOCC[N@H+](C)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189881979 845250235 /nfs/dbraw/zinc/25/02/35/845250235.db2.gz BHMHBZCNZYPHSR-ZDUSSCGKSA-N 2 2 294.399 0.912 20 0 CCADLP CCOCC[N@@H+](C)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189881979 845250240 /nfs/dbraw/zinc/25/02/40/845250240.db2.gz BHMHBZCNZYPHSR-ZDUSSCGKSA-N 2 2 294.399 0.912 20 0 CCADLP CCOCC[N@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001191632357 845698620 /nfs/dbraw/zinc/69/86/20/845698620.db2.gz GZKTVBYPLZDAQN-AWEZNQCLSA-N 2 2 294.399 0.842 20 0 CCADLP CCOCC[N@@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001191632357 845698625 /nfs/dbraw/zinc/69/86/25/845698625.db2.gz GZKTVBYPLZDAQN-AWEZNQCLSA-N 2 2 294.399 0.842 20 0 CCADLP CC[C@H](C[N@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)OC ZINC001193048618 845965247 /nfs/dbraw/zinc/96/52/47/845965247.db2.gz SQJHWWRTTYCAKT-QWHCGFSZSA-N 2 2 294.399 0.910 20 0 CCADLP CC[C@H](C[N@@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)OC ZINC001193048618 845965249 /nfs/dbraw/zinc/96/52/49/845965249.db2.gz SQJHWWRTTYCAKT-QWHCGFSZSA-N 2 2 294.399 0.910 20 0 CCADLP COC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193696333 846146082 /nfs/dbraw/zinc/14/60/82/846146082.db2.gz SNNRHTVPNQANPW-YPMHNXCESA-N 2 2 294.399 0.828 20 0 CCADLP COC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193696333 846146088 /nfs/dbraw/zinc/14/60/88/846146088.db2.gz SNNRHTVPNQANPW-YPMHNXCESA-N 2 2 294.399 0.828 20 0 CCADLP COc1cccnc1C[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205674075 846393670 /nfs/dbraw/zinc/39/36/70/846393670.db2.gz YTWHBEGEUJZGOF-CQSZACIVSA-N 2 2 265.357 0.766 20 0 CCADLP COc1cccnc1C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205674075 846393681 /nfs/dbraw/zinc/39/36/81/846393681.db2.gz YTWHBEGEUJZGOF-CQSZACIVSA-N 2 2 265.357 0.766 20 0 CCADLP C[C@H](F)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195149609 846473343 /nfs/dbraw/zinc/47/33/43/846473343.db2.gz VFMOUWXULBXOKB-YNEHKIRRSA-N 2 2 298.362 0.183 20 0 CCADLP C[C@H](F)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195149609 846473347 /nfs/dbraw/zinc/47/33/47/846473347.db2.gz VFMOUWXULBXOKB-YNEHKIRRSA-N 2 2 298.362 0.183 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2cncc(O)c2)C1 ZINC001205689736 846484114 /nfs/dbraw/zinc/48/41/14/846484114.db2.gz RFDUGOFDEOHZDM-ZDUSSCGKSA-N 2 2 251.330 0.463 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2cncc(O)c2)C1 ZINC001205689736 846484122 /nfs/dbraw/zinc/48/41/22/846484122.db2.gz RFDUGOFDEOHZDM-ZDUSSCGKSA-N 2 2 251.330 0.463 20 0 CCADLP CC(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001196827332 846807795 /nfs/dbraw/zinc/80/77/95/846807795.db2.gz ZUDLGTYKMUGTEB-MRVWCRGKSA-N 2 2 294.399 0.406 20 0 CCADLP CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001196827332 846807799 /nfs/dbraw/zinc/80/77/99/846807799.db2.gz ZUDLGTYKMUGTEB-MRVWCRGKSA-N 2 2 294.399 0.406 20 0 CCADLP CC(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001196827332 846807801 /nfs/dbraw/zinc/80/78/01/846807801.db2.gz ZUDLGTYKMUGTEB-MRVWCRGKSA-N 2 2 294.399 0.406 20 0 CCADLP CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001196827332 846807804 /nfs/dbraw/zinc/80/78/04/846807804.db2.gz ZUDLGTYKMUGTEB-MRVWCRGKSA-N 2 2 294.399 0.406 20 0 CCADLP CC[C@@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197058751 846834783 /nfs/dbraw/zinc/83/47/83/846834783.db2.gz YYZLIZIOCOGYOJ-JHJVBQTASA-N 2 2 289.395 0.238 20 0 CCADLP CC[C@@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197058751 846834791 /nfs/dbraw/zinc/83/47/91/846834791.db2.gz YYZLIZIOCOGYOJ-JHJVBQTASA-N 2 2 289.395 0.238 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCCF)C[C@H]1O ZINC001199353131 847295399 /nfs/dbraw/zinc/29/53/99/847295399.db2.gz BZLXZXUPGXEJGU-CHWSQXEVSA-N 2 2 298.362 0.184 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cnc(C2CC2)nc1 ZINC001201607447 847796732 /nfs/dbraw/zinc/79/67/32/847796732.db2.gz CWKIFBCKBZBMKM-CQSZACIVSA-N 2 2 264.373 0.756 20 0 CCADLP CC(C)[N@@H+]1CC[C@@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001273921470 847849831 /nfs/dbraw/zinc/84/98/31/847849831.db2.gz KPIXARHQAYZNHN-OAHLLOKOSA-N 2 2 292.383 0.632 20 0 CCADLP CC(C)[N@H+]1CC[C@@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001273921470 847849834 /nfs/dbraw/zinc/84/98/34/847849834.db2.gz KPIXARHQAYZNHN-OAHLLOKOSA-N 2 2 292.383 0.632 20 0 CCADLP C[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001110644635 847938688 /nfs/dbraw/zinc/93/86/88/847938688.db2.gz VHPQSGDVJSNSIM-ASEORRQLSA-N 2 2 292.383 0.445 20 0 CCADLP C[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001110644635 847938695 /nfs/dbraw/zinc/93/86/95/847938695.db2.gz VHPQSGDVJSNSIM-ASEORRQLSA-N 2 2 292.383 0.445 20 0 CCADLP C[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001110644635 847938698 /nfs/dbraw/zinc/93/86/98/847938698.db2.gz VHPQSGDVJSNSIM-ASEORRQLSA-N 2 2 292.383 0.445 20 0 CCADLP C[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001110644635 847938702 /nfs/dbraw/zinc/93/87/02/847938702.db2.gz VHPQSGDVJSNSIM-ASEORRQLSA-N 2 2 292.383 0.445 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC2(COC(=O)N2)CC1 ZINC001253193240 848153977 /nfs/dbraw/zinc/15/39/77/848153977.db2.gz FIKOZILJXRCBFZ-GFCCVEGCSA-N 2 2 285.388 0.264 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H](C(=O)N1CCCC1)C(C)C ZINC001253210930 848159776 /nfs/dbraw/zinc/15/97/76/848159776.db2.gz PWRSSTITRJRPIQ-GJZGRUSLSA-N 2 2 299.459 0.926 20 0 CCADLP C[N@@H+]1CCc2nc(C(=O)N[C@H]3CC[NH2+]C3)sc2C1 ZINC001154222427 848267225 /nfs/dbraw/zinc/26/72/25/848267225.db2.gz DNZPSWGOXCQPTK-QMMMGPOBSA-N 2 2 266.370 0.223 20 0 CCADLP C[N@H+]1CCc2nc(C(=O)N[C@H]3CC[NH2+]C3)sc2C1 ZINC001154222427 848267227 /nfs/dbraw/zinc/26/72/27/848267227.db2.gz DNZPSWGOXCQPTK-QMMMGPOBSA-N 2 2 266.370 0.223 20 0 CCADLP COCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001274132816 848357228 /nfs/dbraw/zinc/35/72/28/848357228.db2.gz DMELHMFNVADMTF-YWVDXFKGSA-N 2 2 292.383 0.354 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH2+]C/C=C/CNC(=O)Cc2c[nH]c[nH+]2)O1 ZINC001274395044 848466731 /nfs/dbraw/zinc/46/67/31/848466731.db2.gz SLYHSRBYXGGWKS-VJTBZZIASA-N 2 2 292.383 0.782 20 0 CCADLP C[NH+](C)CCN1C[C@@H]2CC[N@H+](Cc3cocn3)[C@@H]2C1 ZINC001276238990 848969224 /nfs/dbraw/zinc/96/92/24/848969224.db2.gz VCBWTFKIXGRYMV-GXTWGEPZSA-N 2 2 264.373 0.742 20 0 CCADLP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3cocn3)[C@@H]2C1 ZINC001276238990 848969237 /nfs/dbraw/zinc/96/92/37/848969237.db2.gz VCBWTFKIXGRYMV-GXTWGEPZSA-N 2 2 264.373 0.742 20 0 CCADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cocn1 ZINC001276238639 848970050 /nfs/dbraw/zinc/97/00/50/848970050.db2.gz OBSCCFQQALFJME-KBPBESRZSA-N 2 2 264.373 0.885 20 0 CCADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cocn1 ZINC001276238639 848970055 /nfs/dbraw/zinc/97/00/55/848970055.db2.gz OBSCCFQQALFJME-KBPBESRZSA-N 2 2 264.373 0.885 20 0 CCADLP C[C@H]1CC[C@H](C[NH2+]CCCN(C)C(=O)Cc2c[nH+]c[nH]2)O1 ZINC001276245894 848971023 /nfs/dbraw/zinc/97/10/23/848971023.db2.gz YTQJCOAGCSYBCS-GXTWGEPZSA-N 2 2 294.399 0.958 20 0 CCADLP COc1ncccc1C[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001206589043 849130754 /nfs/dbraw/zinc/13/07/54/849130754.db2.gz CTCHWDANRNALPI-UHFFFAOYSA-N 2 2 278.400 0.769 20 0 CCADLP COc1ncccc1C[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001206589043 849130757 /nfs/dbraw/zinc/13/07/57/849130757.db2.gz CTCHWDANRNALPI-UHFFFAOYSA-N 2 2 278.400 0.769 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(C2OCCO2)CC1)C1CC1 ZINC000719076527 849292644 /nfs/dbraw/zinc/29/26/44/849292644.db2.gz KPNKRTZCCLCNRI-CQSZACIVSA-N 2 2 284.400 0.526 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(C2OCCO2)CC1)C1CC1 ZINC000719076527 849292638 /nfs/dbraw/zinc/29/26/38/849292638.db2.gz KPNKRTZCCLCNRI-CQSZACIVSA-N 2 2 284.400 0.526 20 0 CCADLP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cnns3)C[C@H]21 ZINC001114778996 849393347 /nfs/dbraw/zinc/39/33/47/849393347.db2.gz VPYIQCZZFKGESP-PJXYFTJBSA-N 2 2 295.412 0.036 20 0 CCADLP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cnns3)C[C@H]21 ZINC001114778996 849393355 /nfs/dbraw/zinc/39/33/55/849393355.db2.gz VPYIQCZZFKGESP-PJXYFTJBSA-N 2 2 295.412 0.036 20 0 CCADLP COCCOC[C@H](O)C[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000720482497 849474127 /nfs/dbraw/zinc/47/41/27/849474127.db2.gz RGVRRCUJHBIQBJ-HZSPNIEDSA-N 2 2 272.389 0.179 20 0 CCADLP COCCOC[C@H](O)C[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000720482497 849474132 /nfs/dbraw/zinc/47/41/32/849474132.db2.gz RGVRRCUJHBIQBJ-HZSPNIEDSA-N 2 2 272.389 0.179 20 0 CCADLP COCCOC[C@H](O)C[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000720482497 849474134 /nfs/dbraw/zinc/47/41/34/849474134.db2.gz RGVRRCUJHBIQBJ-HZSPNIEDSA-N 2 2 272.389 0.179 20 0 CCADLP COCCOC[C@H](O)C[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000720482497 849474139 /nfs/dbraw/zinc/47/41/39/849474139.db2.gz RGVRRCUJHBIQBJ-HZSPNIEDSA-N 2 2 272.389 0.179 20 0 CCADLP CC[C@@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720809874 849541965 /nfs/dbraw/zinc/54/19/65/849541965.db2.gz BIEBKHGVRPMJLX-OWTLIXCDSA-N 2 2 253.390 0.831 20 0 CCADLP CC[C@@H](C)NC(=O)[C@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720809874 849541973 /nfs/dbraw/zinc/54/19/73/849541973.db2.gz BIEBKHGVRPMJLX-OWTLIXCDSA-N 2 2 253.390 0.831 20 0 CCADLP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001114901956 849605931 /nfs/dbraw/zinc/60/59/31/849605931.db2.gz UUBQPPFUURMNKV-CIQGVGRVSA-N 2 2 262.357 0.901 20 0 CCADLP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001114901956 849605937 /nfs/dbraw/zinc/60/59/37/849605937.db2.gz UUBQPPFUURMNKV-CIQGVGRVSA-N 2 2 262.357 0.901 20 0 CCADLP C[NH+](C)Cc1ccoc1C(=O)NC[C@@H]1CC[N@@H+]1CCO ZINC001038645241 849795945 /nfs/dbraw/zinc/79/59/45/849795945.db2.gz LMXZGOLGZRJDOG-LBPRGKRZSA-N 2 2 281.356 0.138 20 0 CCADLP C[NH+](C)Cc1ccoc1C(=O)NC[C@@H]1CC[N@H+]1CCO ZINC001038645241 849795951 /nfs/dbraw/zinc/79/59/51/849795951.db2.gz LMXZGOLGZRJDOG-LBPRGKRZSA-N 2 2 281.356 0.138 20 0 CCADLP O=C(NC[C@@H]1CC[N@H+]1CCCF)[C@@H]1CCc2[nH+]ccn2C1 ZINC001038424973 849893012 /nfs/dbraw/zinc/89/30/12/849893012.db2.gz XGIVQRSKKWVDNL-OLZOCXBDSA-N 2 2 294.374 0.996 20 0 CCADLP O=C(NC[C@@H]1CC[N@@H+]1CCCF)[C@@H]1CCc2[nH+]ccn2C1 ZINC001038424973 849893018 /nfs/dbraw/zinc/89/30/18/849893018.db2.gz XGIVQRSKKWVDNL-OLZOCXBDSA-N 2 2 294.374 0.996 20 0 CCADLP Cc1oncc1C[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039028057 850125714 /nfs/dbraw/zinc/12/57/14/850125714.db2.gz MFEUWQRYPOBGFG-JSGCOSHPSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1oncc1C[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001039028057 850125723 /nfs/dbraw/zinc/12/57/23/850125723.db2.gz MFEUWQRYPOBGFG-JSGCOSHPSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1oncc1C[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039028057 850125727 /nfs/dbraw/zinc/12/57/27/850125727.db2.gz MFEUWQRYPOBGFG-JSGCOSHPSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1oncc1C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039028057 850125735 /nfs/dbraw/zinc/12/57/35/850125735.db2.gz MFEUWQRYPOBGFG-JSGCOSHPSA-N 2 2 292.383 0.625 20 0 CCADLP CC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000723978929 850192982 /nfs/dbraw/zinc/19/29/82/850192982.db2.gz UQCJPTBFJTWGCG-UONOGXRCSA-N 2 2 283.416 0.555 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2CC[N@@H+](CCF)[C@@H]2C1 ZINC001042379131 850621636 /nfs/dbraw/zinc/62/16/36/850621636.db2.gz GKVIZUFQBUEJQK-CHWSQXEVSA-N 2 2 280.347 0.775 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2CC[N@H+](CCF)[C@@H]2C1 ZINC001042379131 850621647 /nfs/dbraw/zinc/62/16/47/850621647.db2.gz GKVIZUFQBUEJQK-CHWSQXEVSA-N 2 2 280.347 0.775 20 0 CCADLP CO[C@H](C)C[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042546040 850690046 /nfs/dbraw/zinc/69/00/46/850690046.db2.gz PEONKKAXHFFCOU-DGCLKSJQSA-N 2 2 269.389 0.258 20 0 CCADLP CO[C@H](C)C[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001042546040 850690051 /nfs/dbraw/zinc/69/00/51/850690051.db2.gz PEONKKAXHFFCOU-DGCLKSJQSA-N 2 2 269.389 0.258 20 0 CCADLP CC1CC(C[NH+]2CC(N(C)C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001042570656 850699734 /nfs/dbraw/zinc/69/97/34/850699734.db2.gz YWLWAYUOGKFMEB-PIMMBPRGSA-N 2 2 295.427 0.506 20 0 CCADLP CC1CC(C[NH+]2CC(N(C)C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001042570656 850699744 /nfs/dbraw/zinc/69/97/44/850699744.db2.gz YWLWAYUOGKFMEB-PIMMBPRGSA-N 2 2 295.427 0.506 20 0 CCADLP CC(C)C[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042570715 850700118 /nfs/dbraw/zinc/70/01/18/850700118.db2.gz HNQPPZYNUOAXLT-CYBMUJFWSA-N 2 2 269.389 0.116 20 0 CCADLP CC(C)C[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042570715 850700122 /nfs/dbraw/zinc/70/01/22/850700122.db2.gz HNQPPZYNUOAXLT-CYBMUJFWSA-N 2 2 269.389 0.116 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N(C)C2C[NH+](CCOC)C2)CC[N@@H+]1C ZINC001042748499 850751915 /nfs/dbraw/zinc/75/19/15/850751915.db2.gz IMOQRFABBSSJCQ-UONOGXRCSA-N 2 2 283.416 0.506 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N(C)C2C[NH+](CCOC)C2)CC[N@H+]1C ZINC001042748499 850751921 /nfs/dbraw/zinc/75/19/21/850751921.db2.gz IMOQRFABBSSJCQ-UONOGXRCSA-N 2 2 283.416 0.506 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+](C[C@@H](C)O)C1 ZINC001042848183 850768605 /nfs/dbraw/zinc/76/86/05/850768605.db2.gz MVXJXQFHSLVEAX-TZMCWYRMSA-N 2 2 283.416 0.384 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+](C[C@@H](C)O)C1 ZINC001042848183 850768608 /nfs/dbraw/zinc/76/86/08/850768608.db2.gz MVXJXQFHSLVEAX-TZMCWYRMSA-N 2 2 283.416 0.384 20 0 CCADLP CO[C@H](C)C[NH+]1CC(N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001043357515 850858782 /nfs/dbraw/zinc/85/87/82/850858782.db2.gz MKQIRCADXBBJLB-GFCCVEGCSA-N 2 2 280.372 0.369 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](C[C@@H](C)O)C1 ZINC001044336781 851079629 /nfs/dbraw/zinc/07/96/29/851079629.db2.gz VXVSBAJOIMSRDX-OCCSQVGLSA-N 2 2 283.416 0.384 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](C[C@@H](C)O)C1 ZINC001044336781 851079640 /nfs/dbraw/zinc/07/96/40/851079640.db2.gz VXVSBAJOIMSRDX-OCCSQVGLSA-N 2 2 283.416 0.384 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001045855792 851323974 /nfs/dbraw/zinc/32/39/74/851323974.db2.gz NHDYCKSPPLGEQU-OLZOCXBDSA-N 2 2 280.347 0.987 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001045855792 851323987 /nfs/dbraw/zinc/32/39/87/851323987.db2.gz NHDYCKSPPLGEQU-OLZOCXBDSA-N 2 2 280.347 0.987 20 0 CCADLP C[C@@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@H+](CCO)C1 ZINC001046393278 851486057 /nfs/dbraw/zinc/48/60/57/851486057.db2.gz DSCXSHWRJMCQEO-JTNHKYCSSA-N 2 2 278.356 0.086 20 0 CCADLP C[C@@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@@H+](CCO)C1 ZINC001046393278 851486064 /nfs/dbraw/zinc/48/60/64/851486064.db2.gz DSCXSHWRJMCQEO-JTNHKYCSSA-N 2 2 278.356 0.086 20 0 CCADLP C[C@H](CNC(=O)C[C@]1(O)CCC[N@H+](C)C1)Cn1cc[nH+]c1 ZINC000900787648 851512652 /nfs/dbraw/zinc/51/26/52/851512652.db2.gz QTXFJFKGISYBNZ-UKRRQHHQSA-N 2 2 294.399 0.482 20 0 CCADLP C[C@H](CNC(=O)C[C@]1(O)CCC[N@@H+](C)C1)Cn1cc[nH+]c1 ZINC000900787648 851512656 /nfs/dbraw/zinc/51/26/56/851512656.db2.gz QTXFJFKGISYBNZ-UKRRQHHQSA-N 2 2 294.399 0.482 20 0 CCADLP CC[NH2+][C@H](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001048017619 851882277 /nfs/dbraw/zinc/88/22/77/851882277.db2.gz CFYJCUFTALHPJO-MNOVXSKESA-N 2 2 250.346 0.799 20 0 CCADLP CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001096349518 851946968 /nfs/dbraw/zinc/94/69/68/851946968.db2.gz AASISUWDBILVTM-WXHSDQCUSA-N 2 2 262.357 0.704 20 0 CCADLP CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001096349518 851946974 /nfs/dbraw/zinc/94/69/74/851946974.db2.gz AASISUWDBILVTM-WXHSDQCUSA-N 2 2 262.357 0.704 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2C1 ZINC001049083539 852159067 /nfs/dbraw/zinc/15/90/67/852159067.db2.gz HSUAZNKPWBTYLK-BETUJISGSA-N 2 2 274.368 0.752 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[N@H+](CC3CC3)C[C@@H]2C1 ZINC001049083539 852159073 /nfs/dbraw/zinc/15/90/73/852159073.db2.gz HSUAZNKPWBTYLK-BETUJISGSA-N 2 2 274.368 0.752 20 0 CCADLP CC(C)[N@H+]1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001049131432 852173322 /nfs/dbraw/zinc/17/33/22/852173322.db2.gz MCDLMQVXGVRBDT-TXEJJXNPSA-N 2 2 262.357 0.751 20 0 CCADLP CC(C)[N@@H+]1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001049131432 852173326 /nfs/dbraw/zinc/17/33/26/852173326.db2.gz MCDLMQVXGVRBDT-TXEJJXNPSA-N 2 2 262.357 0.751 20 0 CCADLP Cc1nc(N[C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)cc[nH+]1 ZINC001097729313 852592556 /nfs/dbraw/zinc/59/25/56/852592556.db2.gz IKZKZOAOBBELGI-JQWIXIFHSA-N 2 2 277.372 0.796 20 0 CCADLP Cc1nc(N[C@@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C)cc[nH+]1 ZINC001097729313 852592560 /nfs/dbraw/zinc/59/25/60/852592560.db2.gz IKZKZOAOBBELGI-JQWIXIFHSA-N 2 2 277.372 0.796 20 0 CCADLP C[NH+]1CCC[C@H]([N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@H]32)CC1 ZINC001254518683 852619089 /nfs/dbraw/zinc/61/90/89/852619089.db2.gz CZCKYPUPQMXHHE-LXTVHRRPSA-N 2 2 268.401 0.942 20 0 CCADLP C[NH+]1CCC[C@H]([N@H+]2CCO[C@@H]3C[C@H](CO)C[C@H]32)CC1 ZINC001254518683 852619094 /nfs/dbraw/zinc/61/90/94/852619094.db2.gz CZCKYPUPQMXHHE-LXTVHRRPSA-N 2 2 268.401 0.942 20 0 CCADLP C[N@@H+]1CCC[C@H]([NH+]2CCO[C@@H]3C[C@H](CO)C[C@H]32)CC1 ZINC001254518683 852619082 /nfs/dbraw/zinc/61/90/82/852619082.db2.gz CZCKYPUPQMXHHE-LXTVHRRPSA-N 2 2 268.401 0.942 20 0 CCADLP C[N@H+]1CCC[C@H]([NH+]2CCO[C@@H]3C[C@H](CO)C[C@H]32)CC1 ZINC001254518683 852619085 /nfs/dbraw/zinc/61/90/85/852619085.db2.gz CZCKYPUPQMXHHE-LXTVHRRPSA-N 2 2 268.401 0.942 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCC[N@@H+](CCCO)CC1 ZINC001052823637 852659739 /nfs/dbraw/zinc/65/97/39/852659739.db2.gz KXUJKIDDZHELEL-LBPRGKRZSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCC[N@H+](CCCO)CC1 ZINC001052823637 852659743 /nfs/dbraw/zinc/65/97/43/852659743.db2.gz KXUJKIDDZHELEL-LBPRGKRZSA-N 2 2 280.372 0.305 20 0 CCADLP CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)O2 ZINC001053619195 852770980 /nfs/dbraw/zinc/77/09/80/852770980.db2.gz NDLXTNJWGXPDAR-ZIAGYGMSSA-N 2 2 295.427 0.840 20 0 CCADLP CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)O2 ZINC001053619195 852770986 /nfs/dbraw/zinc/77/09/86/852770986.db2.gz NDLXTNJWGXPDAR-ZIAGYGMSSA-N 2 2 295.427 0.840 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1COCC[NH+]1CCC1CC1 ZINC001050848882 853460466 /nfs/dbraw/zinc/46/04/66/853460466.db2.gz PZYOLBGTRYIJBL-LSDHHAIUSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1COCC[NH+]1CCC1CC1 ZINC001050848882 853460472 /nfs/dbraw/zinc/46/04/72/853460472.db2.gz PZYOLBGTRYIJBL-LSDHHAIUSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1COCC[N@@H+]1CCC1CC1 ZINC001050848882 853460479 /nfs/dbraw/zinc/46/04/79/853460479.db2.gz PZYOLBGTRYIJBL-LSDHHAIUSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1COCC[N@H+]1CCC1CC1 ZINC001050848882 853460485 /nfs/dbraw/zinc/46/04/85/853460485.db2.gz PZYOLBGTRYIJBL-LSDHHAIUSA-N 2 2 295.427 0.698 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CCO1 ZINC001051678664 853622716 /nfs/dbraw/zinc/62/27/16/853622716.db2.gz UBFSWSIAARSRHJ-CYBMUJFWSA-N 2 2 294.399 0.764 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCO[C@H](C[NH2+]CC2CC2)C1 ZINC001051848631 853650420 /nfs/dbraw/zinc/65/04/20/853650420.db2.gz XEVPIDGECOBIDG-CYBMUJFWSA-N 2 2 278.356 0.179 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCO[C@H](C[NH2+]CC2CCC2)C1 ZINC001051847988 853651155 /nfs/dbraw/zinc/65/11/55/853651155.db2.gz GTVXLGJEQRZDFC-CQSZACIVSA-N 2 2 292.383 0.569 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C ZINC001137396003 853783116 /nfs/dbraw/zinc/78/31/16/853783116.db2.gz OEMGANCHQUINKP-CYZMBNFOSA-N 2 2 251.374 0.680 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C ZINC001137396003 853783123 /nfs/dbraw/zinc/78/31/23/853783123.db2.gz OEMGANCHQUINKP-CYZMBNFOSA-N 2 2 251.374 0.680 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC001137396003 853783126 /nfs/dbraw/zinc/78/31/26/853783126.db2.gz OEMGANCHQUINKP-CYZMBNFOSA-N 2 2 251.374 0.680 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC001137396003 853783135 /nfs/dbraw/zinc/78/31/35/853783135.db2.gz OEMGANCHQUINKP-CYZMBNFOSA-N 2 2 251.374 0.680 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000386299573 853928505 /nfs/dbraw/zinc/92/85/05/853928505.db2.gz FMFXBKCIRMRVDC-VXGBXAGGSA-N 2 2 250.346 0.730 20 0 CCADLP CC[C@H](C(=O)N1CC[NH+]([C@@H](C)COC)CC1)[NH+](C)C ZINC000151660676 854086852 /nfs/dbraw/zinc/08/68/52/854086852.db2.gz CJWWGXWZVPILHQ-QWHCGFSZSA-N 2 2 271.405 0.506 20 0 CCADLP CCN(C)C(=O)[C@H](C)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000392970273 854098660 /nfs/dbraw/zinc/09/86/60/854098660.db2.gz UUCICAWZACHLCH-RJRAAQABSA-N 2 2 251.374 0.439 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@H]1C ZINC001074629455 854759444 /nfs/dbraw/zinc/75/94/44/854759444.db2.gz YSQXDKRHHOVGNE-SRVKXCTJSA-N 2 2 280.372 0.302 20 0 CCADLP CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001098773958 854884570 /nfs/dbraw/zinc/88/45/70/854884570.db2.gz RZGIBIJZSLMWMP-LZWOXQAQSA-N 2 2 295.427 0.698 20 0 CCADLP CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001098773958 854884574 /nfs/dbraw/zinc/88/45/74/854884574.db2.gz RZGIBIJZSLMWMP-LZWOXQAQSA-N 2 2 295.427 0.698 20 0 CCADLP CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001098773958 854884575 /nfs/dbraw/zinc/88/45/75/854884575.db2.gz RZGIBIJZSLMWMP-LZWOXQAQSA-N 2 2 295.427 0.698 20 0 CCADLP CCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001098773958 854884579 /nfs/dbraw/zinc/88/45/79/854884579.db2.gz RZGIBIJZSLMWMP-LZWOXQAQSA-N 2 2 295.427 0.698 20 0 CCADLP CC[NH+](CC)CC[C@H](C)[NH2+]C1CN(S(C)(=O)=O)C1 ZINC001255946163 854945039 /nfs/dbraw/zinc/94/50/39/854945039.db2.gz RGNGJOCWODLVPB-NSHDSACASA-N 2 2 277.434 0.340 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001099871907 855012825 /nfs/dbraw/zinc/01/28/25/855012825.db2.gz LYXMWLINXJOGTH-STQMWFEESA-N 2 2 280.372 0.304 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001099871907 855012830 /nfs/dbraw/zinc/01/28/30/855012830.db2.gz LYXMWLINXJOGTH-STQMWFEESA-N 2 2 280.372 0.304 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001099871907 855012836 /nfs/dbraw/zinc/01/28/36/855012836.db2.gz LYXMWLINXJOGTH-STQMWFEESA-N 2 2 280.372 0.304 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001099871907 855012842 /nfs/dbraw/zinc/01/28/42/855012842.db2.gz LYXMWLINXJOGTH-STQMWFEESA-N 2 2 280.372 0.304 20 0 CCADLP COCC[NH2+]C1CC(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001100528749 855182871 /nfs/dbraw/zinc/18/28/71/855182871.db2.gz QJVULDIOLFBDKW-UHFFFAOYSA-N 2 2 294.399 0.484 20 0 CCADLP CCOCCC[NH2+]C1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001100710538 855212389 /nfs/dbraw/zinc/21/23/89/855212389.db2.gz WGERYDAMRBNBIU-UHFFFAOYSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@@H](CC(=O)NCC1CC([NH2+]CCCO)C1)n1cc[nH+]c1 ZINC001100716547 855214289 /nfs/dbraw/zinc/21/42/89/855214289.db2.gz GPUZJECNJGRPHZ-HSBZDZAISA-N 2 2 294.399 0.701 20 0 CCADLP CCOCCC[NH2+]C1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001100789549 855226466 /nfs/dbraw/zinc/22/64/66/855226466.db2.gz DRYHVZMBINDCKN-UHFFFAOYSA-N 2 2 294.399 0.863 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1C ZINC001102531825 855444381 /nfs/dbraw/zinc/44/43/81/855444381.db2.gz HSIXTMQEMBFUPS-NQBHXWOUSA-N 2 2 294.399 0.326 20 0 CCADLP 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CCOCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001323899229 912572813 /nfs/dbraw/zinc/57/28/13/912572813.db2.gz ZCWGWACLUBZBLX-ZDUSSCGKSA-N 2 2 269.389 0.260 20 0 CCADLP COCCCC[NH+]1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001324029035 912636238 /nfs/dbraw/zinc/63/62/38/912636238.db2.gz GZFLDDHWTGQNDL-UHFFFAOYSA-N 2 2 280.372 0.452 20 0 CCADLP CC(C)(C)[NH+]1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001324077699 912656391 /nfs/dbraw/zinc/65/63/91/912656391.db2.gz KRCLJYYYPWOJAT-UHFFFAOYSA-N 2 2 250.346 0.826 20 0 CCADLP C[NH+](C)CCC(=O)N[C@H]1COC2(C[NH+](CCCF)C2)C1 ZINC001393664723 912707395 /nfs/dbraw/zinc/70/73/95/912707395.db2.gz DYAIVVLZXWLRDZ-GFCCVEGCSA-N 2 2 287.379 0.257 20 0 CCADLP C[N@H+](CCCO)C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001393883218 912820101 /nfs/dbraw/zinc/82/01/01/912820101.db2.gz DGVJILRJSXKFON-LBPRGKRZSA-N 2 2 280.372 0.257 20 0 CCADLP C[N@@H+](CCCO)C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001393883218 912820117 /nfs/dbraw/zinc/82/01/17/912820117.db2.gz DGVJILRJSXKFON-LBPRGKRZSA-N 2 2 280.372 0.257 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001394150132 913048480 /nfs/dbraw/zinc/04/84/80/913048480.db2.gz NSTMHWXBWSFXNM-CYBMUJFWSA-N 2 2 283.416 0.432 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001394150132 913048494 /nfs/dbraw/zinc/04/84/94/913048494.db2.gz NSTMHWXBWSFXNM-CYBMUJFWSA-N 2 2 283.416 0.432 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001394151619 913049048 /nfs/dbraw/zinc/04/90/48/913049048.db2.gz CFFWZDRZDNLWKT-UHFFFAOYSA-N 2 2 295.427 0.435 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C1C[NH+](C[C@@H](C)O)C1 ZINC001394258347 913102980 /nfs/dbraw/zinc/10/29/80/913102980.db2.gz OMTDGJWDUCDPIP-NXEZZACHSA-N 2 2 280.372 0.078 20 0 CCADLP C[C@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CCC[N@@H+]1CCCO ZINC001394720927 913382656 /nfs/dbraw/zinc/38/26/56/913382656.db2.gz XYPFZXYNUKPWTL-KBPBESRZSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CCC[N@H+]1CCCO ZINC001394720927 913382665 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CCADLP C[N@H+](CC(=O)NC1C[NH+](CCn2cccn2)C1)C1CCC1 ZINC001481564568 892831474 /nfs/dbraw/zinc/83/14/74/892831474.db2.gz VWRKBPOIRVQTTC-UHFFFAOYSA-N 2 2 291.399 0.168 20 0 CCADLP C[N@@H+](CC(=O)NC1C[NH+](CCn2cccn2)C1)C1CCC1 ZINC001481564568 892831492 /nfs/dbraw/zinc/83/14/92/892831492.db2.gz VWRKBPOIRVQTTC-UHFFFAOYSA-N 2 2 291.399 0.168 20 0 CCADLP C[C@H]([NH2+]CCO)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001496449595 892927669 /nfs/dbraw/zinc/92/76/69/892927669.db2.gz XTPBGGJDHMFSBT-STQMWFEESA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H]([NH2+]CCO)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001496449595 892927687 /nfs/dbraw/zinc/92/76/87/892927687.db2.gz XTPBGGJDHMFSBT-STQMWFEESA-N 2 2 294.399 0.551 20 0 CCADLP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1csnn1 ZINC001481878951 893243031 /nfs/dbraw/zinc/24/30/31/893243031.db2.gz LRVUTXAHAIGGNA-LLVKDONJSA-N 2 2 297.428 0.618 20 0 CCADLP COCC[NH2+]CC1(NC(=O)Cn2cc[nH+]c2)CCCC1 ZINC001481913019 893257576 /nfs/dbraw/zinc/25/75/76/893257576.db2.gz 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2 294.399 0.746 20 0 CCADLP Cc1cnc(C[NH2+]CCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)o1 ZINC001493695759 895953066 /nfs/dbraw/zinc/95/30/66/895953066.db2.gz VDWOPMYZUHXIBG-LBPRGKRZSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1cnc(C[NH2+]CCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)o1 ZINC001493695759 895953074 /nfs/dbraw/zinc/95/30/74/895953074.db2.gz VDWOPMYZUHXIBG-LBPRGKRZSA-N 2 2 294.399 0.873 20 0 CCADLP CC(C)OCC[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001483778838 896046521 /nfs/dbraw/zinc/04/65/21/896046521.db2.gz LYLCAFUHWDXLFH-UHFFFAOYSA-N 2 2 280.372 0.616 20 0 CCADLP CC(C)OCC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001483796412 896056816 /nfs/dbraw/zinc/05/68/16/896056816.db2.gz GJBYUXQULNWINA-UHFFFAOYSA-N 2 2 280.372 0.547 20 0 CCADLP COCC[NH2+]C[C@]1(C)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001484109395 896197105 /nfs/dbraw/zinc/19/71/05/896197105.db2.gz UPGNAGIZXYIQNF-HNNXBMFYSA-N 2 2 294.399 0.748 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001397099226 914043936 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O=C(N[C@H]1C[C@H](C[NH2+]CCF)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001485685956 897182653 /nfs/dbraw/zinc/18/26/53/897182653.db2.gz BYJWFAADRBPRPP-DDHJBXDOSA-N 2 2 280.347 0.967 20 0 CCADLP CN(C(=O)CCc1[nH]cc[nH+]1)C1CC[NH+](C)CC1 ZINC001326787388 914173029 /nfs/dbraw/zinc/17/30/29/914173029.db2.gz MEHGFJLKZSUQCL-UHFFFAOYSA-N 2 2 250.346 0.895 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1[nH+]ccn1C ZINC001032534888 897711695 /nfs/dbraw/zinc/71/16/95/897711695.db2.gz LDJGSLYOLHLQAD-AVGNSLFASA-N 2 2 292.383 0.019 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1[nH+]ccn1C ZINC001032534888 897711705 /nfs/dbraw/zinc/71/17/05/897711705.db2.gz LDJGSLYOLHLQAD-AVGNSLFASA-N 2 2 292.383 0.019 20 0 CCADLP CO[C@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC001032651486 897896833 /nfs/dbraw/zinc/89/68/33/897896833.db2.gz ACDDXJHVPWTKSB-WXHSDQCUSA-N 2 2 278.356 0.272 20 0 CCADLP CO[C@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC001032651486 897896838 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CO[C@@H]1C[NH+](CCF)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212416298 897907269 /nfs/dbraw/zinc/90/72/69/897907269.db2.gz HVDJYKRSYXPOGN-CHWSQXEVSA-N 2 2 287.379 0.256 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CCCO1 ZINC001078391919 898368019 /nfs/dbraw/zinc/36/80/19/898368019.db2.gz TXZRRJHHTFJTAK-GFCCVEGCSA-N 2 2 280.372 0.569 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCCO1 ZINC001078479281 898388048 /nfs/dbraw/zinc/38/80/48/898388048.db2.gz VZOUXBFOAWLLMK-GFCCVEGCSA-N 2 2 266.345 0.179 20 0 CCADLP CC(C)[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCCO1 ZINC001078499356 898397491 /nfs/dbraw/zinc/39/74/91/898397491.db2.gz VOIFEOQXYJIMEI-AWEZNQCLSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]Cc1cnns1 ZINC001485926657 898507606 /nfs/dbraw/zinc/50/76/06/898507606.db2.gz LQNMCIKTFFOABZ-SECBINFHSA-N 2 2 294.384 0.440 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@@H]1C ZINC001486091230 898649682 /nfs/dbraw/zinc/64/96/82/898649682.db2.gz GSXKHDKSEHRVKE-TZMCWYRMSA-N 2 2 294.399 0.578 20 0 CCADLP CN(CC[NH2+]Cc1nncs1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001493601404 898959247 /nfs/dbraw/zinc/95/92/47/898959247.db2.gz ZXGAELLDEZPKPM-LLVKDONJSA-N 2 2 297.428 0.570 20 0 CCADLP CN(CC[NH2+]Cc1nncs1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001493601404 898959256 /nfs/dbraw/zinc/95/92/56/898959256.db2.gz ZXGAELLDEZPKPM-LLVKDONJSA-N 2 2 297.428 0.570 20 0 CCADLP C[C@H](CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]C[C@H](C)O ZINC001410392308 899383563 /nfs/dbraw/zinc/38/35/63/899383563.db2.gz JWKMHRFLACVPOL-MNOVXSKESA-N 2 2 290.367 0.994 20 0 CCADLP COC[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001410419250 899398166 /nfs/dbraw/zinc/39/81/66/899398166.db2.gz IWGOJVWRIPVEHJ-STQMWFEESA-N 2 2 282.388 0.745 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001085105748 899404473 /nfs/dbraw/zinc/40/44/73/899404473.db2.gz CMGRPGCQOIYXOX-MJBXVCDLSA-N 2 2 292.383 0.187 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001085105748 899404479 /nfs/dbraw/zinc/40/44/79/899404479.db2.gz CMGRPGCQOIYXOX-MJBXVCDLSA-N 2 2 292.383 0.187 20 0 CCADLP CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1csnn1)[NH+](C)C ZINC001410507864 899441609 /nfs/dbraw/zinc/44/16/09/899441609.db2.gz ZDOHQJFPHBWEQH-JQWIXIFHSA-N 2 2 299.444 0.815 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001488844879 900391507 /nfs/dbraw/zinc/39/15/07/900391507.db2.gz ZOEFMGZAHLFZPW-IHRRRGAJSA-N 2 2 294.399 0.793 20 0 CCADLP COCC[NH2+]CCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001317606739 900498810 /nfs/dbraw/zinc/49/88/10/900498810.db2.gz UPQHQZUMEHVUEM-LBPRGKRZSA-N 2 2 280.372 0.140 20 0 CCADLP CC[N@H+](C)CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001490217234 900584311 /nfs/dbraw/zinc/58/43/11/900584311.db2.gz LOQUVWPEAHZEMR-LBPRGKRZSA-N 2 2 264.373 0.904 20 0 CCADLP CC[N@@H+](C)CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001490217234 900584318 /nfs/dbraw/zinc/58/43/18/900584318.db2.gz LOQUVWPEAHZEMR-LBPRGKRZSA-N 2 2 264.373 0.904 20 0 CCADLP CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001320468380 900928781 /nfs/dbraw/zinc/92/87/81/900928781.db2.gz KHSYZZJDDZKMSE-NWDGAFQWSA-N 2 2 264.373 0.950 20 0 CCADLP CC(C)C[NH2+]C/C=C\CNC(=O)Cn1cc[nH+]c1 ZINC001274632477 900937727 /nfs/dbraw/zinc/93/77/27/900937727.db2.gz VMUUTZBJEVHMRR-ARJAWSKDSA-N 2 2 250.346 0.801 20 0 CCADLP C[C@@H](CC[NH+](C)C)C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001412965900 902400093 /nfs/dbraw/zinc/40/00/93/902400093.db2.gz DPUFQQWZYBJJEK-MELADBBJSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H](CC[NH+](C)C)C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001412965900 902400101 /nfs/dbraw/zinc/40/01/01/902400101.db2.gz DPUFQQWZYBJJEK-MELADBBJSA-N 2 2 283.416 0.554 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+]CC(=O)NC2CC2)CC1 ZINC001413209291 902786509 /nfs/dbraw/zinc/78/65/09/902786509.db2.gz ZIOPVZRUGQSLBP-UHFFFAOYSA-N 2 2 297.399 0.272 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCO ZINC001049749110 903049555 /nfs/dbraw/zinc/04/95/55/903049555.db2.gz AFWRKGYIXTWXLR-KGLIPLIRSA-N 2 2 292.383 0.400 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCO ZINC001049749110 903049569 /nfs/dbraw/zinc/04/95/69/903049569.db2.gz AFWRKGYIXTWXLR-KGLIPLIRSA-N 2 2 292.383 0.400 20 0 CCADLP COCC[N@@H+]1CCC[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001491125168 903389350 /nfs/dbraw/zinc/38/93/50/903389350.db2.gz HOGFMGCGIFOEIX-ZDUSSCGKSA-N 2 2 294.399 0.437 20 0 CCADLP COCC[N@H+]1CCC[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001491125168 903389365 /nfs/dbraw/zinc/38/93/65/903389365.db2.gz HOGFMGCGIFOEIX-ZDUSSCGKSA-N 2 2 294.399 0.437 20 0 CCADLP CCc1noc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001491414275 903561204 /nfs/dbraw/zinc/56/12/04/903561204.db2.gz SLIQZDNTMOXTCN-MNOVXSKESA-N 2 2 295.387 0.321 20 0 CCADLP CCc1noc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001491414275 903561215 /nfs/dbraw/zinc/56/12/15/903561215.db2.gz SLIQZDNTMOXTCN-MNOVXSKESA-N 2 2 295.387 0.321 20 0 CCADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CC[C@H]1CCCO1 ZINC001491544006 903661979 /nfs/dbraw/zinc/66/19/79/903661979.db2.gz YWOBYAWQVILZJQ-UONOGXRCSA-N 2 2 294.399 0.937 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001398656172 914765674 /nfs/dbraw/zinc/76/56/74/914765674.db2.gz BDRRNUKQCUDPGO-SDDRHHMPSA-N 2 2 280.372 0.234 20 0 CCADLP COCC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC001332044362 904044652 /nfs/dbraw/zinc/04/46/52/904044652.db2.gz BHIYMZXQOUAOTH-RYUDHWBXSA-N 2 2 280.372 0.188 20 0 CCADLP COCC[N@H+](C)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001282477323 904485277 /nfs/dbraw/zinc/48/52/77/904485277.db2.gz IFSJVIBDDHUIKQ-LLVKDONJSA-N 2 2 268.361 0.046 20 0 CCADLP COCC[N@@H+](C)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001282477323 904485286 /nfs/dbraw/zinc/48/52/86/904485286.db2.gz IFSJVIBDDHUIKQ-LLVKDONJSA-N 2 2 268.361 0.046 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCC[N@H+]1CCCO ZINC001377397125 904845385 /nfs/dbraw/zinc/84/53/85/904845385.db2.gz HGWXVFXWZUFDBF-ZDUSSCGKSA-N 2 2 280.372 0.236 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+]1CCCO ZINC001377397125 904845398 /nfs/dbraw/zinc/84/53/98/904845398.db2.gz HGWXVFXWZUFDBF-ZDUSSCGKSA-N 2 2 280.372 0.236 20 0 CCADLP CC[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)c1nnc(C)[nH]1)[NH+](C)C ZINC001377589522 905026858 /nfs/dbraw/zinc/02/68/58/905026858.db2.gz LXZVVRRXLADPQH-JQWIXIFHSA-N 2 2 296.419 0.562 20 0 CCADLP C[C@@H](O)C[N@H+](C)C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001377671630 905081384 /nfs/dbraw/zinc/08/13/84/905081384.db2.gz HBBBVYOORVGYJB-OLZOCXBDSA-N 2 2 280.372 0.187 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001377671630 905081406 /nfs/dbraw/zinc/08/14/06/905081406.db2.gz HBBBVYOORVGYJB-OLZOCXBDSA-N 2 2 280.372 0.187 20 0 CCADLP COC[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001377674275 905091791 /nfs/dbraw/zinc/09/17/91/905091791.db2.gz YYPPCJJOXIHVCZ-STQMWFEESA-N 2 2 294.399 0.528 20 0 CCADLP CCOCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001284017104 905118563 /nfs/dbraw/zinc/11/85/63/905118563.db2.gz LRDQNWPJNVVJJI-VXGBXAGGSA-N 2 2 280.372 0.568 20 0 CCADLP CC[C@@H](C(=O)NC1C[NH+](CCC[C@@H](C)O)C1)[NH+](C)C ZINC001377960849 905279413 /nfs/dbraw/zinc/27/94/13/905279413.db2.gz PFDRNRAZZZEIDK-YPMHNXCESA-N 2 2 271.405 0.288 20 0 CCADLP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nnc(C)o1 ZINC001378347922 905604965 /nfs/dbraw/zinc/60/49/65/905604965.db2.gz WWXDKBGHBBPWMO-NEPJUHHUSA-N 2 2 295.387 0.314 20 0 CCADLP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1nnc(C)o1 ZINC001378347922 905604970 /nfs/dbraw/zinc/60/49/70/905604970.db2.gz WWXDKBGHBBPWMO-NEPJUHHUSA-N 2 2 295.387 0.314 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)CCn1cc[nH+]c1 ZINC001378808944 905827976 /nfs/dbraw/zinc/82/79/76/905827976.db2.gz XINOXRLHLIXOPL-CHWSQXEVSA-N 2 2 282.388 0.745 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1nnc(C)[nH]1 ZINC001378838838 905850818 /nfs/dbraw/zinc/85/08/18/905850818.db2.gz BIEZVPMYXCJHKH-NSHDSACASA-N 2 2 296.419 0.391 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1nnc(C)[nH]1 ZINC001378838838 905850834 /nfs/dbraw/zinc/85/08/34/905850834.db2.gz BIEZVPMYXCJHKH-NSHDSACASA-N 2 2 296.419 0.391 20 0 CCADLP CC(C)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001379208814 906066236 /nfs/dbraw/zinc/06/62/36/906066236.db2.gz RAMYEBFNIXVMRO-TZMCWYRMSA-N 2 2 294.399 0.168 20 0 CCADLP COCC[C@H]([NH3+])C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001333631100 906070437 /nfs/dbraw/zinc/07/04/37/906070437.db2.gz NSDPSYGJRNAEKG-NSHDSACASA-N 2 2 266.345 0.480 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1nnc(C)[nH]1 ZINC001379446351 906245451 /nfs/dbraw/zinc/24/54/51/906245451.db2.gz BIGQOWCZPQBALE-SNVBAGLBSA-N 2 2 282.392 0.049 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1nnc(C)[nH]1 ZINC001379446351 906245464 /nfs/dbraw/zinc/24/54/64/906245464.db2.gz BIGQOWCZPQBALE-SNVBAGLBSA-N 2 2 282.392 0.049 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+]Cc1ccon1 ZINC001379467658 906263868 /nfs/dbraw/zinc/26/38/68/906263868.db2.gz ITTFRBBHDADIQX-SNVBAGLBSA-N 2 2 277.328 0.474 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](CO)[NH2+]CC1CC(C)C1 ZINC001379517735 906321688 /nfs/dbraw/zinc/32/16/88/906321688.db2.gz XPKXLVNELBYGJF-KGPNIALWSA-N 2 2 294.399 0.373 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3nncs3)CC2)C1 ZINC001380169828 906664117 /nfs/dbraw/zinc/66/41/17/906664117.db2.gz NZEOFOQLZIICOC-JTQLQIEISA-N 2 2 295.412 0.228 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]Cc3nncs3)CC2)C1 ZINC001380169828 906664122 /nfs/dbraw/zinc/66/41/22/906664122.db2.gz NZEOFOQLZIICOC-JTQLQIEISA-N 2 2 295.412 0.228 20 0 CCADLP C[C@@H](CC(=O)N(C)CCC[N@H+](C)CC(N)=O)n1cc[nH+]c1 ZINC001380977594 907026748 /nfs/dbraw/zinc/02/67/48/907026748.db2.gz OPWYUADBLBYIAU-LBPRGKRZSA-N 2 2 295.387 0.100 20 0 CCADLP C[C@@H](CC(=O)N(C)CCC[N@@H+](C)CC(N)=O)n1cc[nH+]c1 ZINC001380977594 907026768 /nfs/dbraw/zinc/02/67/68/907026768.db2.gz OPWYUADBLBYIAU-LBPRGKRZSA-N 2 2 295.387 0.100 20 0 CCADLP C[C@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)Cn1cc[nH+]c1 ZINC001335943711 907123654 /nfs/dbraw/zinc/12/36/54/907123654.db2.gz YFKDDJRFRWKXJV-TZMCWYRMSA-N 3 2 266.389 0.564 20 0 CCADLP C[C@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)Cn1cc[nH+]c1 ZINC001335943711 907123673 /nfs/dbraw/zinc/12/36/73/907123673.db2.gz YFKDDJRFRWKXJV-TZMCWYRMSA-N 3 2 266.389 0.564 20 0 CCADLP C[C@@H](C(=O)NCC[NH+]1CCC(O)CC1)n1cc[nH+]c1 ZINC001298013650 907140960 /nfs/dbraw/zinc/14/09/60/907140960.db2.gz QZJOMYXPAIUYAH-NSHDSACASA-N 2 2 266.345 0.017 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNc1nccnc1C[NH3+] ZINC001337836797 921297314 /nfs/dbraw/zinc/29/73/14/921297314.db2.gz HWYQMUYZANYMCT-SNVBAGLBSA-N 2 2 251.334 0.068 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNc1nccnc1C[NH3+] ZINC001337836797 921297316 /nfs/dbraw/zinc/29/73/16/921297316.db2.gz HWYQMUYZANYMCT-SNVBAGLBSA-N 2 2 251.334 0.068 20 0 CCADLP CC(C)[C@H](C(=O)NC1(CCO)C[NH+](C(C)C)C1)[NH+](C)C ZINC001381682327 907370706 /nfs/dbraw/zinc/37/07/06/907370706.db2.gz APEDOIKNKVMTNW-CYBMUJFWSA-N 2 2 285.432 0.534 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CC[C@@H]1CCCO1 ZINC001491637128 907473688 /nfs/dbraw/zinc/47/36/88/907473688.db2.gz IJSFPUGHISYSJZ-JSGCOSHPSA-N 2 2 294.399 0.626 20 0 CCADLP C[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]CCF ZINC001491603821 907488006 /nfs/dbraw/zinc/48/80/06/907488006.db2.gz AAYFCAWRRQHAKN-VHSXEESVSA-N 2 2 256.325 0.652 20 0 CCADLP C[C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]CCF ZINC001491603821 907488018 /nfs/dbraw/zinc/48/80/18/907488018.db2.gz AAYFCAWRRQHAKN-VHSXEESVSA-N 2 2 256.325 0.652 20 0 CCADLP CC[C@H](C[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1)OC ZINC001491693743 907507413 /nfs/dbraw/zinc/50/74/13/907507413.db2.gz IUUHWMYTKGALKH-VXGBXAGGSA-N 2 2 268.361 0.402 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CCC[N@@H+]2C)[nH]1 ZINC001382126231 907562039 /nfs/dbraw/zinc/56/20/39/907562039.db2.gz VDTANJFVFWLEBQ-CMPLNLGQSA-N 2 2 294.403 0.144 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CCC[N@H+]2C)[nH]1 ZINC001382126231 907562044 /nfs/dbraw/zinc/56/20/44/907562044.db2.gz VDTANJFVFWLEBQ-CMPLNLGQSA-N 2 2 294.403 0.144 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1CCC[C@H]([NH2+]CCO)C1 ZINC001491883318 907624202 /nfs/dbraw/zinc/62/42/02/907624202.db2.gz NYFNCIAZAPYKEP-STQMWFEESA-N 2 2 294.399 0.362 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCC[C@@H]1CCC[N@H+]1CCO ZINC001492163553 907722621 /nfs/dbraw/zinc/72/26/21/907722621.db2.gz KGDLASHNEDWKLI-CQSZACIVSA-N 2 2 294.399 0.626 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCC[C@@H]1CCC[N@@H+]1CCO ZINC001492163553 907722630 /nfs/dbraw/zinc/72/26/30/907722630.db2.gz KGDLASHNEDWKLI-CQSZACIVSA-N 2 2 294.399 0.626 20 0 CCADLP CC(C)[NH2+]C[C@@H](O)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001382407780 907725525 /nfs/dbraw/zinc/72/55/25/907725525.db2.gz MOSUQWAEBYSXQR-GFCCVEGCSA-N 2 2 290.367 0.765 20 0 CCADLP Cc1cc(N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)nc(N)[nH+]1 ZINC001338083892 908200589 /nfs/dbraw/zinc/20/05/89/908200589.db2.gz LBKQYXZYFCYUJV-MNOVXSKESA-N 2 2 264.377 0.413 20 0 CCADLP Cc1cc(N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)nc(N)[nH+]1 ZINC001338083892 908200608 /nfs/dbraw/zinc/20/06/08/908200608.db2.gz LBKQYXZYFCYUJV-MNOVXSKESA-N 2 2 264.377 0.413 20 0 CCADLP OCC(CO)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001308287344 908407986 /nfs/dbraw/zinc/40/79/86/908407986.db2.gz USMSXILZPORKOL-UHFFFAOYSA-N 2 2 253.327 0.377 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC001340181829 908508993 /nfs/dbraw/zinc/50/89/93/908508993.db2.gz KHKSENQHDVQVNI-OUAUKWLOSA-N 2 2 250.346 0.832 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC001340181829 908509015 /nfs/dbraw/zinc/50/90/15/908509015.db2.gz KHKSENQHDVQVNI-OUAUKWLOSA-N 2 2 250.346 0.832 20 0 CCADLP C[NH2+]CCOCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001340835143 908555440 /nfs/dbraw/zinc/55/54/40/908555440.db2.gz XNXJBXFJLLMHRM-UHFFFAOYSA-N 2 2 276.340 0.871 20 0 CCADLP C[C@@H]([NH3+])CONC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC001341402113 908593099 /nfs/dbraw/zinc/59/30/99/908593099.db2.gz GMBVPZLIZURACN-HTQZYQBOSA-N 2 2 280.250 0.772 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001317430815 909192993 /nfs/dbraw/zinc/19/29/93/909192993.db2.gz BOYVWTAFXLOJLC-AWEZNQCLSA-N 2 2 294.399 0.959 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001317430815 909193000 /nfs/dbraw/zinc/19/30/00/909193000.db2.gz BOYVWTAFXLOJLC-AWEZNQCLSA-N 2 2 294.399 0.959 20 0 CCADLP COC[C@@H](C)[NH2+]CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001317642782 909437573 /nfs/dbraw/zinc/43/75/73/909437573.db2.gz USNWWXOGJBDDOV-SNVBAGLBSA-N 2 2 254.334 0.035 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001318030587 909590734 /nfs/dbraw/zinc/59/07/34/909590734.db2.gz DJOQHIUYNSAIIU-LLVKDONJSA-N 2 2 269.389 0.306 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001318030587 909590744 /nfs/dbraw/zinc/59/07/44/909590744.db2.gz DJOQHIUYNSAIIU-LLVKDONJSA-N 2 2 269.389 0.306 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC1(C[NH2+]CCO)CCCC1 ZINC001318645113 909847420 /nfs/dbraw/zinc/84/74/20/909847420.db2.gz QQLOXZJWSVGOPH-UHFFFAOYSA-N 2 2 280.372 0.284 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCC[N@H+](CCCO)C1 ZINC001390055884 910208808 /nfs/dbraw/zinc/20/88/08/910208808.db2.gz DAUVDEJWHFNWIS-CYBMUJFWSA-N 2 2 294.399 0.471 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCC[N@@H+](CCCO)C1 ZINC001390055884 910208821 /nfs/dbraw/zinc/20/88/21/910208821.db2.gz DAUVDEJWHFNWIS-CYBMUJFWSA-N 2 2 294.399 0.471 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+]CCCO)[C@H](C)C1 ZINC001319715824 910267226 /nfs/dbraw/zinc/26/72/26/910267226.db2.gz RYJKQMMTURNOBR-DGCLKSJQSA-N 2 2 294.399 0.470 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001319709912 910268439 /nfs/dbraw/zinc/26/84/39/910268439.db2.gz DBOJSTDOHXOUGV-DGCLKSJQSA-N 2 2 294.399 0.734 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC[C@H]1CCCCO1 ZINC001390547095 910509670 /nfs/dbraw/zinc/50/96/70/910509670.db2.gz SKRWVFSLCLQWRY-UONOGXRCSA-N 2 2 294.399 0.937 20 0 CCADLP CCC[NH2+]C[C@H](O)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001320215830 910528366 /nfs/dbraw/zinc/52/83/66/910528366.db2.gz HBBZEVYKPOGJCK-ZDUSSCGKSA-N 2 2 290.367 0.733 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)C[NH2+]C/C=C\Cl ZINC001320301793 910593798 /nfs/dbraw/zinc/59/37/98/910593798.db2.gz VWZLQYORYGBMOW-MXQLGCADSA-N 2 2 286.763 0.080 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC(=O)NCC ZINC001390767543 910661093 /nfs/dbraw/zinc/66/10/93/910661093.db2.gz SCGCBMKVKRCENU-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC(=O)NCC ZINC001390767543 910661099 /nfs/dbraw/zinc/66/10/99/910661099.db2.gz SCGCBMKVKRCENU-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CC(=O)NCC ZINC001390767543 910661104 /nfs/dbraw/zinc/66/11/04/910661104.db2.gz SCGCBMKVKRCENU-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CC(=O)NCC ZINC001390767543 910661110 /nfs/dbraw/zinc/66/11/10/910661110.db2.gz SCGCBMKVKRCENU-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@H+](C)Cc1cncn1C)[NH+](C)C ZINC001390768323 910664236 /nfs/dbraw/zinc/66/42/36/910664236.db2.gz ATRRQDZJGYZINC-AWEZNQCLSA-N 2 2 295.431 0.554 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@@H+](C)Cc1cncn1C)[NH+](C)C ZINC001390768323 910664240 /nfs/dbraw/zinc/66/42/40/910664240.db2.gz ATRRQDZJGYZINC-AWEZNQCLSA-N 2 2 295.431 0.554 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001320675740 910792890 /nfs/dbraw/zinc/79/28/90/910792890.db2.gz OZWJVOAUAJUXRG-LLVKDONJSA-N 2 2 250.346 0.373 20 0 CCADLP CCN(CC[NH2+]Cc1cncn1C)C(=O)Cn1cc[nH+]c1 ZINC001320933060 910945324 /nfs/dbraw/zinc/94/53/24/910945324.db2.gz WSGGRMFXLHWHRK-UHFFFAOYSA-N 2 2 290.371 0.255 20 0 CCADLP C[C@H](O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001321125233 911103737 /nfs/dbraw/zinc/10/37/37/911103737.db2.gz JLZIBAZJRMICEE-KQZHAYLCSA-N 2 2 292.383 0.088 20 0 CCADLP C[C@@H](O)CCC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001391630854 911277500 /nfs/dbraw/zinc/27/75/00/911277500.db2.gz FLAWLWAMPOKRTC-KGLIPLIRSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@@H](O)CCC[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001391630854 911277509 /nfs/dbraw/zinc/27/75/09/911277509.db2.gz FLAWLWAMPOKRTC-KGLIPLIRSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@H](C[NH2+]Cc1nccn1C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001392145005 911598882 /nfs/dbraw/zinc/59/88/82/911598882.db2.gz VYSDBIATZMCVLQ-GFCCVEGCSA-N 2 2 290.371 0.253 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001339191920 921676260 /nfs/dbraw/zinc/67/62/60/921676260.db2.gz KFXMIISEQMNYEZ-UHFFFAOYSA-N 2 2 296.334 0.973 20 0 CCADLP O=CN1CCC([NH2+]CCCCn2cc[nH+]c2)CC1 ZINC001322123077 911665736 /nfs/dbraw/zinc/66/57/36/911665736.db2.gz XKORQTAYJZDPSW-UHFFFAOYSA-N 2 2 250.346 0.874 20 0 CCADLP CCn1ccc(C[N@H+](C)CCN(C)C(=O)CC[NH+](C)C)n1 ZINC001392303708 911715823 /nfs/dbraw/zinc/71/58/23/911715823.db2.gz LSADMIYDURROBO-UHFFFAOYSA-N 2 2 295.431 0.745 20 0 CCADLP CCn1ccc(C[N@@H+](C)CCN(C)C(=O)CC[NH+](C)C)n1 ZINC001392303708 911715826 /nfs/dbraw/zinc/71/58/26/911715826.db2.gz LSADMIYDURROBO-UHFFFAOYSA-N 2 2 295.431 0.745 20 0 CCADLP CC(C)C[NH2+]C[C@@H](O)CNC(=O)c1cccc2[nH+]ccn21 ZINC001392392517 911776325 /nfs/dbraw/zinc/77/63/25/911776325.db2.gz QXWRZFCVJZFCQP-GFCCVEGCSA-N 2 2 290.367 0.671 20 0 CCADLP CN(CCC[NH2+]CCF)C(=O)CCc1c[nH]c[nH+]1 ZINC001322541334 911852010 /nfs/dbraw/zinc/85/20/10/911852010.db2.gz ZVQHVWWMSPCOKW-UHFFFAOYSA-N 2 2 256.325 0.750 20 0 CCADLP CN(CCC[NH2+]CCF)C(=O)CCc1c[nH+]c[nH]1 ZINC001322541334 911852018 /nfs/dbraw/zinc/85/20/18/911852018.db2.gz ZVQHVWWMSPCOKW-UHFFFAOYSA-N 2 2 256.325 0.750 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N(C)CCC[NH2+]C[C@H](C)O ZINC001322565725 911862640 /nfs/dbraw/zinc/86/26/40/911862640.db2.gz HDURBRVVGRAJLZ-LBPRGKRZSA-N 2 2 295.383 0.452 20 0 CCADLP CN(CCC[NH2+]CC[C@@H]1CCOC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001322756808 911936918 /nfs/dbraw/zinc/93/69/18/911936918.db2.gz NIYBAJIPFYWKIS-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP C[C@@H]([NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)c1csnn1 ZINC001392595476 911970535 /nfs/dbraw/zinc/97/05/35/911970535.db2.gz SWGCSRZZTYWVGS-VHSXEESVSA-N 2 2 285.417 0.645 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H](CNC(=O)CCc1c[nH+]cn1C)C1CC1 ZINC001418008252 921757037 /nfs/dbraw/zinc/75/70/37/921757037.db2.gz WDCMRYPEUMSXOW-RISCZKNCSA-N 2 2 294.399 0.218 20 0 CCADLP Cc1cnc(C[N@H+](C)CCNC(=O)[C@H]2CC[NH+](C)C2)cn1 ZINC001399641375 915285244 /nfs/dbraw/zinc/28/52/44/915285244.db2.gz BPCXDKCAWYWMRK-ZDUSSCGKSA-N 2 2 291.399 0.285 20 0 CCADLP Cc1cnc(C[N@@H+](C)CCNC(=O)[C@H]2CC[NH+](C)C2)cn1 ZINC001399641375 915285253 /nfs/dbraw/zinc/28/52/53/915285253.db2.gz BPCXDKCAWYWMRK-ZDUSSCGKSA-N 2 2 291.399 0.285 20 0 CCADLP Cc1cnc(C[NH+](C)CCNC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001399641375 915285264 /nfs/dbraw/zinc/28/52/64/915285264.db2.gz BPCXDKCAWYWMRK-ZDUSSCGKSA-N 2 2 291.399 0.285 20 0 CCADLP Cc1cnc(C[NH+](C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001399641375 915285280 /nfs/dbraw/zinc/28/52/80/915285280.db2.gz BPCXDKCAWYWMRK-ZDUSSCGKSA-N 2 2 291.399 0.285 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@@H+](C)C[C@@H]1CCCOC1 ZINC001399646677 915288446 /nfs/dbraw/zinc/28/84/46/915288446.db2.gz JBPSTLJKJBNQCM-ZDUSSCGKSA-N 2 2 294.399 0.735 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@H+](C)C[C@@H]1CCCOC1 ZINC001399646677 915288461 /nfs/dbraw/zinc/28/84/61/915288461.db2.gz JBPSTLJKJBNQCM-ZDUSSCGKSA-N 2 2 294.399 0.735 20 0 CCADLP COC1CC[NH+](Cc2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC001329245680 915770091 /nfs/dbraw/zinc/77/00/91/915770091.db2.gz UEEUPTLDUIFFRG-GFCCVEGCSA-N 2 2 265.361 0.423 20 0 CCADLP CC[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]C[C@H](C)OC ZINC001400919871 915983411 /nfs/dbraw/zinc/98/34/11/915983411.db2.gz XWLDLTFJHBUQJN-RYUDHWBXSA-N 2 2 282.388 0.482 20 0 CCADLP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001329805402 916196314 /nfs/dbraw/zinc/19/63/14/916196314.db2.gz VCXHTTXDQRFAQG-QJPTWQEYSA-N 2 2 262.357 0.923 20 0 CCADLP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001329805402 916196325 /nfs/dbraw/zinc/19/63/25/916196325.db2.gz VCXHTTXDQRFAQG-QJPTWQEYSA-N 2 2 262.357 0.923 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001329924021 916278496 /nfs/dbraw/zinc/27/84/96/916278496.db2.gz NZEBRWJQDBVQAK-QJPTWQEYSA-N 2 2 262.357 0.641 20 0 CCADLP C[C@@H](C[N@H+](C)Cc1ccccn1)NC(=O)Cn1cc[nH+]c1 ZINC001401820118 916613105 /nfs/dbraw/zinc/61/31/05/916613105.db2.gz MATJZKYXHWAIRC-ZDUSSCGKSA-N 2 2 287.367 0.915 20 0 CCADLP C[C@@H](C[N@@H+](C)Cc1ccccn1)NC(=O)Cn1cc[nH+]c1 ZINC001401820118 916613117 /nfs/dbraw/zinc/61/31/17/916613117.db2.gz MATJZKYXHWAIRC-ZDUSSCGKSA-N 2 2 287.367 0.915 20 0 CCADLP Cc1noc(C)c1C[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001401903142 916677257 /nfs/dbraw/zinc/67/72/57/916677257.db2.gz JGLHLPFHVKGMTA-ZDUSSCGKSA-N 2 2 294.399 0.934 20 0 CCADLP Cc1noc(C)c1C[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001401903142 916677269 /nfs/dbraw/zinc/67/72/69/916677269.db2.gz JGLHLPFHVKGMTA-ZDUSSCGKSA-N 2 2 294.399 0.934 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccn1 ZINC001330620027 916748232 /nfs/dbraw/zinc/74/82/32/916748232.db2.gz CHRCNQKUZHKMDY-QMTHXVAHSA-N 2 2 258.325 0.985 20 0 CCADLP Cn1c[nH+]cc1CCCn1cc(Cn2cc[nH+]c2)nn1 ZINC001330800042 916881563 /nfs/dbraw/zinc/88/15/63/916881563.db2.gz MCIATEWNRQZASB-UHFFFAOYSA-N 2 2 271.328 0.889 20 0 CCADLP CC[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001402602762 917123003 /nfs/dbraw/zinc/12/30/03/917123003.db2.gz BRJBFIQPPAOOPK-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP CC[NH2+][C@]1(CO)CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001402740884 917204331 /nfs/dbraw/zinc/20/43/31/917204331.db2.gz VYJKNEAVXQVIMB-CQSZACIVSA-N 2 2 280.372 0.224 20 0 CCADLP CC[NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001331337905 917272531 /nfs/dbraw/zinc/27/25/31/917272531.db2.gz FZNROHXQEFLTGC-LLVKDONJSA-N 2 2 250.346 0.799 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CCC(OCCC[NH3+])CC1 ZINC001331438317 917333123 /nfs/dbraw/zinc/33/31/23/917333123.db2.gz NYUHGXBJUAEYQM-UHFFFAOYSA-N 2 2 295.387 0.460 20 0 CCADLP CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC[NH2+]CC1 ZINC001331467209 917354865 /nfs/dbraw/zinc/35/48/65/917354865.db2.gz XWLIQOANVWHFLY-LLVKDONJSA-N 2 2 262.357 0.656 20 0 CCADLP COCC[NH2+][C@H](C)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001331631267 917465382 /nfs/dbraw/zinc/46/53/82/917465382.db2.gz WTPOKJQSKDKXIG-GFCCVEGCSA-N 2 2 282.388 0.436 20 0 CCADLP CCc1noc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001403134755 917513865 /nfs/dbraw/zinc/51/38/65/917513865.db2.gz JFTUCGMYZAISQM-QWRGUYRKSA-N 2 2 295.387 0.178 20 0 CCADLP CCc1noc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001403134755 917513878 /nfs/dbraw/zinc/51/38/78/917513878.db2.gz JFTUCGMYZAISQM-QWRGUYRKSA-N 2 2 295.387 0.178 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001403240382 917611385 /nfs/dbraw/zinc/61/13/85/917611385.db2.gz VBUJEVNAAOBKHI-KGLIPLIRSA-N 2 2 297.443 0.680 20 0 CCADLP CC(C)C[NH2+][C@@H](CO)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001403696819 917938039 /nfs/dbraw/zinc/93/80/39/917938039.db2.gz BDZTZIDKJJNJMX-DGCLKSJQSA-N 2 2 282.388 0.311 20 0 CCADLP CC(C)C[NH2+][C@@H](CO)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001403696819 917938047 /nfs/dbraw/zinc/93/80/47/917938047.db2.gz BDZTZIDKJJNJMX-DGCLKSJQSA-N 2 2 282.388 0.311 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+]1C[C@@H]1CCOC1 ZINC001404013960 918167241 /nfs/dbraw/zinc/16/72/41/918167241.db2.gz CWCANQJFJCYDCB-KBPBESRZSA-N 2 2 292.383 0.500 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@H+]1C[C@@H]1CCOC1 ZINC001404013960 918167247 /nfs/dbraw/zinc/16/72/47/918167247.db2.gz CWCANQJFJCYDCB-KBPBESRZSA-N 2 2 292.383 0.500 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)NCc2c[nH+]cn2C)C1 ZINC001332558511 918274284 /nfs/dbraw/zinc/27/42/84/918274284.db2.gz WWEGYCVWEAQCHT-UWVGGRQHSA-N 2 2 251.334 0.299 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC001332725489 918402990 /nfs/dbraw/zinc/40/29/90/918402990.db2.gz UJAAPVRTLSAGBY-LLVKDONJSA-N 2 2 250.346 0.872 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC001332725489 918403005 /nfs/dbraw/zinc/40/30/05/918403005.db2.gz UJAAPVRTLSAGBY-LLVKDONJSA-N 2 2 250.346 0.872 20 0 CCADLP C[C@H](O)C[NH2+]CC1(NC(=O)Cc2c[nH]c[nH+]2)CCCC1 ZINC001405397470 918753006 /nfs/dbraw/zinc/75/30/06/918753006.db2.gz INKUFEISHNKYJN-NSHDSACASA-N 2 2 280.372 0.352 20 0 CCADLP Cc1nc(C[NH2+]C[C@H](C)CNC(=O)Cc2c[nH]c[nH+]2)co1 ZINC001405691355 918862662 /nfs/dbraw/zinc/86/26/62/918862662.db2.gz GJNSPPRRJNLMQN-JTQLQIEISA-N 2 2 291.355 0.791 20 0 CCADLP C[C@@H](C[NH2+]C[C@H]1CCCOC1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001405873085 918953841 /nfs/dbraw/zinc/95/38/41/918953841.db2.gz LSHOYNLHEQRHAA-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP CNc1cc(NCCC[NH+]2CCC(O)CC2)nc[nH+]1 ZINC001333640938 919065670 /nfs/dbraw/zinc/06/56/70/919065670.db2.gz LYBSYPFEQCCCAC-UHFFFAOYSA-N 2 2 265.361 0.777 20 0 CCADLP Cc1ncc(C[NH2+]C[C@@H](C)NC(=O)CCn2cc[nH+]c2)o1 ZINC001406377036 919222165 /nfs/dbraw/zinc/22/21/65/919222165.db2.gz JYIWFWJOTPNJQD-LLVKDONJSA-N 2 2 291.355 0.864 20 0 CCADLP C[C@H](C[NH2+][C@H](C)C(N)=O)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001406373601 919222787 /nfs/dbraw/zinc/22/27/87/919222787.db2.gz BMDHACCSDVXGAR-RKDXNWHRSA-N 2 2 289.339 0.145 20 0 CCADLP Cc1nnc(C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)o1 ZINC001406483116 919301975 /nfs/dbraw/zinc/30/19/75/919301975.db2.gz RCLQYSWPUGLJHM-GWCFXTLKSA-N 2 2 297.403 0.559 20 0 CCADLP CCc1nocc1C[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001406862843 919505859 /nfs/dbraw/zinc/50/58/59/919505859.db2.gz OFEPZBIZBYKHJJ-CYBMUJFWSA-N 2 2 294.399 0.879 20 0 CCADLP CCc1nocc1C[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001406862843 919505868 /nfs/dbraw/zinc/50/58/68/919505868.db2.gz OFEPZBIZBYKHJJ-CYBMUJFWSA-N 2 2 294.399 0.879 20 0 CCADLP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@@H+]1CCn1cccn1 ZINC001406896801 919523020 /nfs/dbraw/zinc/52/30/20/919523020.db2.gz DGVKMOHZZJHDOH-CQSZACIVSA-N 2 2 291.399 0.169 20 0 CCADLP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@H+]1CCn1cccn1 ZINC001406896801 919523033 /nfs/dbraw/zinc/52/30/33/919523033.db2.gz DGVKMOHZZJHDOH-CQSZACIVSA-N 2 2 291.399 0.169 20 0 CCADLP Cn1ccnc1C[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001407185017 919655323 /nfs/dbraw/zinc/65/53/23/919655323.db2.gz SVDLLSFWANFTCQ-OAHLLOKOSA-N 2 2 293.415 0.452 20 0 CCADLP Cn1ccnc1C[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001407185017 919655329 /nfs/dbraw/zinc/65/53/29/919655329.db2.gz SVDLLSFWANFTCQ-OAHLLOKOSA-N 2 2 293.415 0.452 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@@]1(C)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001407259924 919679318 /nfs/dbraw/zinc/67/93/18/919679318.db2.gz NWVXTIRYCCOUOD-UKRRQHHQSA-N 2 2 294.399 0.746 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]CCOCC1CCC1)C1CC1 ZINC001336703169 920940291 /nfs/dbraw/zinc/94/02/91/920940291.db2.gz HZCZWOKKMRPRBA-AWEZNQCLSA-N 2 2 256.390 0.848 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]CCOCC1CCC1)C1CC1 ZINC001336703169 920940306 /nfs/dbraw/zinc/94/03/06/920940306.db2.gz HZCZWOKKMRPRBA-AWEZNQCLSA-N 2 2 256.390 0.848 20 0 CCADLP CSCCCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336829501 921043851 /nfs/dbraw/zinc/04/38/51/921043851.db2.gz CWOIOQSIVRIUGW-UHFFFAOYSA-N 2 2 288.461 0.852 20 0 CCADLP CC(C)COC[C@H](O)C[NH2+][C@H]1Cc2c[nH+]cn2C1 ZINC001336827757 921044868 /nfs/dbraw/zinc/04/48/68/921044868.db2.gz BOMQFBMUBRAEFT-WCQYABFASA-N 2 2 253.346 0.431 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001418110877 921832371 /nfs/dbraw/zinc/83/23/71/921832371.db2.gz HLRMWXCQGQIJIX-MCIONIFRSA-N 2 2 294.399 0.935 20 0 CCADLP CC[C@H](C[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1)OC ZINC001418117152 921837912 /nfs/dbraw/zinc/83/79/12/921837912.db2.gz ZWTWMURLICQTPA-FRRDWIJNSA-N 2 2 294.399 0.922 20 0 CCADLP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001340180662 921996579 /nfs/dbraw/zinc/99/65/79/921996579.db2.gz FGHXEDVDCMKTAT-WOPDTQHZSA-N 2 2 262.357 0.689 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N(C)CC[NH+]1CCOCC1 ZINC001340197369 922005082 /nfs/dbraw/zinc/00/50/82/922005082.db2.gz YEZREPPSLQTNAQ-CHWSQXEVSA-N 2 2 269.389 0.023 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001340557706 922123222 /nfs/dbraw/zinc/12/32/22/922123222.db2.gz PESWSLCBKFRXOL-IJLUTSLNSA-N 2 2 262.357 0.784 20 0 CCADLP C[N@H+](CCNC(=O)CCc1c[nH]c[nH+]1)CC[C@@H]1CCOC1 ZINC001418466026 922149685 /nfs/dbraw/zinc/14/96/85/922149685.db2.gz NRZGQHVIKQCKCW-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP C[N@@H+](CCNC(=O)CCc1c[nH]c[nH+]1)CC[C@@H]1CCOC1 ZINC001418466026 922149691 /nfs/dbraw/zinc/14/96/91/922149691.db2.gz NRZGQHVIKQCKCW-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP C[N@H+](CCNC(=O)CCc1c[nH+]c[nH]1)CC[C@@H]1CCOC1 ZINC001418466026 922149699 /nfs/dbraw/zinc/14/96/99/922149699.db2.gz NRZGQHVIKQCKCW-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP C[N@@H+](CCNC(=O)CCc1c[nH+]c[nH]1)CC[C@@H]1CCOC1 ZINC001418466026 922149707 /nfs/dbraw/zinc/14/97/07/922149707.db2.gz NRZGQHVIKQCKCW-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC2(C[NH2+]C2)CC1 ZINC001340705713 922179683 /nfs/dbraw/zinc/17/96/83/922179683.db2.gz SXCQBWAJBBKLKJ-NSHDSACASA-N 2 2 262.357 0.800 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(C[NH2+]C2)CC1 ZINC001340705713 922179689 /nfs/dbraw/zinc/17/96/89/922179689.db2.gz SXCQBWAJBBKLKJ-NSHDSACASA-N 2 2 262.357 0.800 20 0 CCADLP C[N@H+](CCNC(=O)C[NH+]1CCCC1)Cc1ccns1 ZINC001418518421 922207401 /nfs/dbraw/zinc/20/74/01/922207401.db2.gz DKOKXXOFYFHKDQ-UHFFFAOYSA-N 2 2 282.413 0.787 20 0 CCADLP C[N@@H+](CCNC(=O)C[NH+]1CCCC1)Cc1ccns1 ZINC001418518421 922207413 /nfs/dbraw/zinc/20/74/13/922207413.db2.gz DKOKXXOFYFHKDQ-UHFFFAOYSA-N 2 2 282.413 0.787 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)CC1([NH3+])CCC1 ZINC001341005348 922312714 /nfs/dbraw/zinc/31/27/14/922312714.db2.gz OMSYZFIPRMBGHK-LBPRGKRZSA-N 2 2 269.389 0.485 20 0 CCADLP CC[C@@H](C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1)OC ZINC001418641457 922327355 /nfs/dbraw/zinc/32/73/55/922327355.db2.gz XBYVMUIHWSOMKI-SCRDCRAPSA-N 2 2 294.399 0.862 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1C[C@H]([NH2+]Cc2ccon2)C1 ZINC001418712154 922378404 /nfs/dbraw/zinc/37/84/04/922378404.db2.gz YQJYLNDCQKWMSQ-AULYBMBSSA-N 2 2 289.339 0.556 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]2CC[C@@]21C[NH3+] ZINC001341446858 922489913 /nfs/dbraw/zinc/48/99/13/922489913.db2.gz JMYKUOZJXFPZNY-SMDDNHRTSA-N 2 2 262.357 0.991 20 0 CCADLP C[N@H+](CCCO)CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001418946569 922499740 /nfs/dbraw/zinc/49/97/40/922499740.db2.gz XCHNWKWKTYOCMB-UHFFFAOYSA-N 2 2 294.399 0.505 20 0 CCADLP C[N@@H+](CCCO)CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001418946569 922499748 /nfs/dbraw/zinc/49/97/48/922499748.db2.gz XCHNWKWKTYOCMB-UHFFFAOYSA-N 2 2 294.399 0.505 20 0 CCADLP C[C@]1(C[NH3+])CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001341765581 922661317 /nfs/dbraw/zinc/66/13/17/922661317.db2.gz KWHRWXWNAFWTNI-BXUZGUMPSA-N 2 2 262.357 0.643 20 0 CCADLP [NH3+]C[C@H]1CC[C@H](CNC(=O)C[C@H]([NH3+])C(F)F)CC1 ZINC001341786972 922672177 /nfs/dbraw/zinc/67/21/77/922672177.db2.gz KHQKTTMFWJJBJY-GUBZILKMSA-N 2 2 263.332 0.850 20 0 CCADLP O=C(NC[C@@H]([NH2+]CCF)C1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001419275113 922745806 /nfs/dbraw/zinc/74/58/06/922745806.db2.gz LSIYYEGCPKHRRJ-CHWSQXEVSA-N 2 2 294.374 0.899 20 0 CCADLP O=C(NC[C@H]([NH2+]CCF)C1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001419273247 922748558 /nfs/dbraw/zinc/74/85/58/922748558.db2.gz KCUVXRYMEKOYRC-JSGCOSHPSA-N 2 2 294.374 0.899 20 0 CCADLP CC(C)([NH3+])CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001342363643 922931055 /nfs/dbraw/zinc/93/10/55/922931055.db2.gz ILRSBVGAUWWWDH-JTQLQIEISA-N 2 2 250.346 0.689 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1cccnc1 ZINC001419912636 923161023 /nfs/dbraw/zinc/16/10/23/923161023.db2.gz WZPPSTDQVJQALV-GFCCVEGCSA-N 2 2 287.367 0.652 20 0 CCADLP C[C@H](CC(=O)N1CC([NH2+][C@@H]2CCOC2)C1)n1cc[nH+]c1 ZINC001420141886 923341873 /nfs/dbraw/zinc/34/18/73/923341873.db2.gz DZTXUCDIHBNKGN-VXGBXAGGSA-N 2 2 278.356 0.424 20 0 CCADLP C[C@@H](CCC[NH3+])NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001343506554 923353827 /nfs/dbraw/zinc/35/38/27/923353827.db2.gz FTSGVJXXLHBLEA-WDEREUQCSA-N 2 2 250.346 0.689 20 0 CCADLP C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001343686853 923420690 /nfs/dbraw/zinc/42/06/90/923420690.db2.gz PVKFUMNOTNBAJL-GHMZBOCLSA-N 2 2 250.346 0.592 20 0 CCADLP COC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001420255729 923459830 /nfs/dbraw/zinc/45/98/30/923459830.db2.gz OPUAXBRFSUBOPF-CHWSQXEVSA-N 2 2 294.399 0.528 20 0 CCADLP COC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001420255729 923459838 /nfs/dbraw/zinc/45/98/38/923459838.db2.gz OPUAXBRFSUBOPF-CHWSQXEVSA-N 2 2 294.399 0.528 20 0 CCADLP CCNC(=O)C[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001420279658 923494041 /nfs/dbraw/zinc/49/40/41/923494041.db2.gz AHTHHSAQFALOMV-UHFFFAOYSA-N 2 2 298.431 0.045 20 0 CCADLP CCNC(=O)C[N@@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001420279658 923494054 /nfs/dbraw/zinc/49/40/54/923494054.db2.gz AHTHHSAQFALOMV-UHFFFAOYSA-N 2 2 298.431 0.045 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC1(C[NH3+])CC1 ZINC001343920759 923507074 /nfs/dbraw/zinc/50/70/74/923507074.db2.gz YMCLACWVKHHXRK-GHMZBOCLSA-N 2 2 262.357 0.769 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)[nH]1 ZINC001420455752 923679395 /nfs/dbraw/zinc/67/93/95/923679395.db2.gz HHQSCGZWERYBIP-HOSYDEDBSA-N 2 2 294.403 0.363 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)[nH]1 ZINC001420455752 923679410 /nfs/dbraw/zinc/67/94/10/923679410.db2.gz HHQSCGZWERYBIP-HOSYDEDBSA-N 2 2 294.403 0.363 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1nnc(C)o1 ZINC001420505848 923719455 /nfs/dbraw/zinc/71/94/55/923719455.db2.gz YNRXWVCNDHFGBL-QWRGUYRKSA-N 2 2 297.403 0.875 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1nnc(C)o1 ZINC001420505848 923719469 /nfs/dbraw/zinc/71/94/69/923719469.db2.gz YNRXWVCNDHFGBL-QWRGUYRKSA-N 2 2 297.403 0.875 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC001346058174 924059212 /nfs/dbraw/zinc/05/92/12/924059212.db2.gz WAMFRLMRZKRMDP-GHMZBOCLSA-N 2 2 250.346 0.786 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC001346058174 924059225 /nfs/dbraw/zinc/05/92/25/924059225.db2.gz WAMFRLMRZKRMDP-GHMZBOCLSA-N 2 2 250.346 0.786 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)NCCCn1cc[nH+]c1 ZINC001346137337 924084250 /nfs/dbraw/zinc/08/42/50/924084250.db2.gz XLYNRZKXZAPOGI-NEPJUHHUSA-N 2 2 265.361 0.428 20 0 CCADLP C[C@H](O)CCC[NH+]1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001421076328 924136645 /nfs/dbraw/zinc/13/66/45/924136645.db2.gz ZBPUQXLWWQHFDY-KGLIPLIRSA-N 2 2 297.443 0.632 20 0 CCADLP C[C@H](O)CCC[NH+]1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001421076328 924136657 /nfs/dbraw/zinc/13/66/57/924136657.db2.gz ZBPUQXLWWQHFDY-KGLIPLIRSA-N 2 2 297.443 0.632 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CC1([NH3+])CCC1 ZINC001346582926 924268142 /nfs/dbraw/zinc/26/81/42/924268142.db2.gz NQNSMWRDHOZJPM-GFCCVEGCSA-N 2 2 269.389 0.437 20 0 CCADLP CCNc1cc(CNC(=O)NCC[NH+](C)C)cc[nH+]1 ZINC001346811192 924314558 /nfs/dbraw/zinc/31/45/58/924314558.db2.gz ZXEIUYDATQUDPB-UHFFFAOYSA-N 2 2 265.361 0.874 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001347103463 924372927 /nfs/dbraw/zinc/37/29/27/924372927.db2.gz ZONHFBJCZKPIIR-NWDGAFQWSA-N 2 2 262.357 0.515 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001347103463 924372934 /nfs/dbraw/zinc/37/29/34/924372934.db2.gz ZONHFBJCZKPIIR-NWDGAFQWSA-N 2 2 262.357 0.515 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001347598002 924488779 /nfs/dbraw/zinc/48/87/79/924488779.db2.gz UBCVERAJMGJIDI-UHTWSYAYSA-N 2 2 262.357 0.419 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001347598002 924488786 /nfs/dbraw/zinc/48/87/86/924488786.db2.gz UBCVERAJMGJIDI-UHTWSYAYSA-N 2 2 262.357 0.419 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCCCO)CC2)CC1 ZINC001348524324 924715239 /nfs/dbraw/zinc/71/52/39/924715239.db2.gz LAFZVESXTXEOHK-UHFFFAOYSA-N 2 2 297.443 0.824 20 0 CCADLP O=C1NC(=O)C2(CCC([NH2+]CCCn3cc[nH+]c3)CC2)N1 ZINC001349307101 924928852 /nfs/dbraw/zinc/92/88/52/924928852.db2.gz POENUGSAZRDJKE-UHFFFAOYSA-N 2 2 291.355 0.384 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NOC1CC[NH+](C)CC1 ZINC001352169859 925536887 /nfs/dbraw/zinc/53/68/87/925536887.db2.gz MTQGTVLQEJRCBG-UHFFFAOYSA-N 2 2 266.345 0.495 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1C[C@H]1C(F)(F)F)C1CC1 ZINC001353309271 925788775 /nfs/dbraw/zinc/78/87/75/925788775.db2.gz DJNNXMGXXIXQSW-IVZWLZJFSA-N 2 2 252.280 0.982 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1C[C@H]1C(F)(F)F)C1CC1 ZINC001353309271 925788782 /nfs/dbraw/zinc/78/87/82/925788782.db2.gz DJNNXMGXXIXQSW-IVZWLZJFSA-N 2 2 252.280 0.982 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC001353403891 925822022 /nfs/dbraw/zinc/82/20/22/925822022.db2.gz AGYMRQSLNFMVLU-ZWNOBZJWSA-N 2 2 263.345 0.443 20 0 CCADLP [NH3+][C@H]1CCCn2nc(C(=O)NCCCn3cc[nH+]c3)cc21 ZINC001353431502 925831933 /nfs/dbraw/zinc/83/19/33/925831933.db2.gz DAQSVOXUHIDRDB-NSHDSACASA-N 2 2 288.355 0.693 20 0 CCADLP C[NH2+]C1CC(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC001357397924 926525795 /nfs/dbraw/zinc/52/57/95/926525795.db2.gz XHLLTKWMVGPVIM-IALDZJHCSA-N 2 2 269.389 0.210 20 0 CCADLP CC1(C)CC[C@@H]1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001357419141 926529804 /nfs/dbraw/zinc/52/98/04/926529804.db2.gz WXAIFMOIUIZPQU-LBPRGKRZSA-N 2 2 268.405 0.897 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC001357458577 926536966 /nfs/dbraw/zinc/53/69/66/926536966.db2.gz YMUBDBLFANKFGT-VWYCJHECSA-N 2 2 250.346 0.974 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC001357458577 926536971 /nfs/dbraw/zinc/53/69/71/926536971.db2.gz YMUBDBLFANKFGT-VWYCJHECSA-N 2 2 250.346 0.974 20 0 CCADLP CCC[C@@H]1C[C@H]1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001357581542 926562811 /nfs/dbraw/zinc/56/28/11/926562811.db2.gz GTVPTZCFCNEPON-DGCLKSJQSA-N 2 2 268.405 0.897 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C[NH2+]1 ZINC001357939166 926612422 /nfs/dbraw/zinc/61/24/22/926612422.db2.gz RUOTXCWGFCQFMY-GRYCIOLGSA-N 2 2 262.357 0.702 20 0 CCADLP C[NH2+]C[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001358120294 926642169 /nfs/dbraw/zinc/64/21/69/926642169.db2.gz PUHIGERLORQYDA-NSHDSACASA-N 2 2 250.346 0.861 20 0 CCADLP C[C@H]([NH2+]CCO)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001421552042 926794122 /nfs/dbraw/zinc/79/41/22/926794122.db2.gz VRDMHTLYPUUIJC-STQMWFEESA-N 2 2 294.399 0.172 20 0 CCADLP C[C@H](C[NH2+]C[C@@H]1CCCOC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001422015503 927039307 /nfs/dbraw/zinc/03/93/07/927039307.db2.gz ZPHBGKJDELJHJY-KGLIPLIRSA-N 2 2 294.399 0.746 20 0 CCADLP CC(C)[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCO ZINC001422106491 927077729 /nfs/dbraw/zinc/07/77/29/927077729.db2.gz JHBFLYLJJQLWGY-AWEZNQCLSA-N 2 2 290.367 0.899 20 0 CCADLP CN(CC[N@H+](C)Cc1ccnn1C)C(=O)[C@@H]1CCC[NH+]1C ZINC001422154153 927104540 /nfs/dbraw/zinc/10/45/40/927104540.db2.gz XFEPYWBRMOFOOI-AWEZNQCLSA-N 2 2 293.415 0.405 20 0 CCADLP CN(CC[N@@H+](C)Cc1ccnn1C)C(=O)[C@@H]1CCC[NH+]1C ZINC001422154153 927104547 /nfs/dbraw/zinc/10/45/47/927104547.db2.gz XFEPYWBRMOFOOI-AWEZNQCLSA-N 2 2 293.415 0.405 20 0 CCADLP CN(CC[NH+](C)Cc1ccnn1C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001422154153 927104554 /nfs/dbraw/zinc/10/45/54/927104554.db2.gz XFEPYWBRMOFOOI-AWEZNQCLSA-N 2 2 293.415 0.405 20 0 CCADLP CN(CC[NH+](C)Cc1ccnn1C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001422154153 927104557 /nfs/dbraw/zinc/10/45/57/927104557.db2.gz XFEPYWBRMOFOOI-AWEZNQCLSA-N 2 2 293.415 0.405 20 0 CCADLP C[C@@H](NC(=O)c1cccc2[nH+]ccn21)[C@H](C)[NH2+]CCO ZINC001422386690 927256249 /nfs/dbraw/zinc/25/62/49/927256249.db2.gz VSYDAHKRAWWYGH-WDEREUQCSA-N 2 2 276.340 0.423 20 0 CCADLP C[C@@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)[N@H+](C)CCO ZINC001422511267 927334909 /nfs/dbraw/zinc/33/49/09/927334909.db2.gz ZCCKMRCTKZKTAO-LBPRGKRZSA-N 2 2 294.399 0.191 20 0 CCADLP C[C@@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)[N@@H+](C)CCO ZINC001422511267 927334918 /nfs/dbraw/zinc/33/49/18/927334918.db2.gz ZCCKMRCTKZKTAO-LBPRGKRZSA-N 2 2 294.399 0.191 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCCCC[N@H+]1CCO ZINC001422706590 927461110 /nfs/dbraw/zinc/46/11/10/927461110.db2.gz WVFMUPAYLDNKOO-AWEZNQCLSA-N 2 2 294.399 0.626 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCCCC[N@@H+]1CCO ZINC001422706590 927461115 /nfs/dbraw/zinc/46/11/15/927461115.db2.gz WVFMUPAYLDNKOO-AWEZNQCLSA-N 2 2 294.399 0.626 20 0 CCADLP COC[C@H](C)[NH+]1CC([C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001422751119 927487752 /nfs/dbraw/zinc/48/77/52/927487752.db2.gz AVDKSFPHFHVNEV-WDEREUQCSA-N 2 2 294.399 0.732 20 0 CCADLP Cc1nc(C[NH2+]C[C@H](C)NC(=O)C[NH+]2CCCC2)oc1C ZINC001422749937 927488745 /nfs/dbraw/zinc/48/87/45/927488745.db2.gz WLIIHEJDEFXVKD-NSHDSACASA-N 2 2 294.399 0.982 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)CC(N)=O ZINC001422850626 927548523 /nfs/dbraw/zinc/54/85/23/927548523.db2.gz JJWHHLNUOMGYDC-CHWSQXEVSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)CC(N)=O ZINC001422850626 927548532 /nfs/dbraw/zinc/54/85/32/927548532.db2.gz JJWHHLNUOMGYDC-CHWSQXEVSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)CC(N)=O ZINC001422850626 927548539 /nfs/dbraw/zinc/54/85/39/927548539.db2.gz JJWHHLNUOMGYDC-CHWSQXEVSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)CC(N)=O ZINC001422850626 927548548 /nfs/dbraw/zinc/54/85/48/927548548.db2.gz JJWHHLNUOMGYDC-CHWSQXEVSA-N 2 2 298.431 0.029 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001422902728 927578607 /nfs/dbraw/zinc/57/86/07/927578607.db2.gz FOMIAEUYMVDYNI-IJLUTSLNSA-N 2 2 280.372 0.472 20 0 CCADLP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1nonc1C)[NH+](C)C ZINC001423080330 927665788 /nfs/dbraw/zinc/66/57/88/927665788.db2.gz SPTJFQBGKBLGND-ZWNOBZJWSA-N 2 2 297.403 0.655 20 0 CCADLP CC[N@H+](C)CCC(=O)NCC1([NH2+]Cc2ccon2)CC1 ZINC001423291842 927794908 /nfs/dbraw/zinc/79/49/08/927794908.db2.gz QNMXKESDCLNWSZ-UHFFFAOYSA-N 2 2 280.372 0.755 20 0 CCADLP CC[N@@H+](C)CCC(=O)NCC1([NH2+]Cc2ccon2)CC1 ZINC001423291842 927794915 /nfs/dbraw/zinc/79/49/15/927794915.db2.gz QNMXKESDCLNWSZ-UHFFFAOYSA-N 2 2 280.372 0.755 20 0 CCADLP COC[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001423471800 927880664 /nfs/dbraw/zinc/88/06/64/927880664.db2.gz SCFAIVWDRMXCFE-JSGCOSHPSA-N 2 2 294.399 0.958 20 0 CCADLP COC[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001423471800 927880675 /nfs/dbraw/zinc/88/06/75/927880675.db2.gz SCFAIVWDRMXCFE-JSGCOSHPSA-N 2 2 294.399 0.958 20 0 CCADLP CC[N@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001423515100 927905083 /nfs/dbraw/zinc/90/50/83/927905083.db2.gz KWVYDDDTNWHPNI-ZDUSSCGKSA-N 2 2 296.415 0.698 20 0 CCADLP CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001423515100 927905091 /nfs/dbraw/zinc/90/50/91/927905091.db2.gz KWVYDDDTNWHPNI-ZDUSSCGKSA-N 2 2 296.415 0.698 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@@](C)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001423579236 927930590 /nfs/dbraw/zinc/93/05/90/927930590.db2.gz DWWKGCPAWHUMQW-IAQYHMDHSA-N 2 2 294.399 0.876 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@@](C)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001423579236 927930598 /nfs/dbraw/zinc/93/05/98/927930598.db2.gz DWWKGCPAWHUMQW-IAQYHMDHSA-N 2 2 294.399 0.876 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@](C)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001423579238 927932465 /nfs/dbraw/zinc/93/24/65/927932465.db2.gz DWWKGCPAWHUMQW-NHYWBVRUSA-N 2 2 294.399 0.876 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@](C)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001423579238 927932480 /nfs/dbraw/zinc/93/24/80/927932480.db2.gz DWWKGCPAWHUMQW-NHYWBVRUSA-N 2 2 294.399 0.876 20 0 CCADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1[NH2+]CCO ZINC001424490342 928198477 /nfs/dbraw/zinc/19/84/77/928198477.db2.gz RRHVKCUUENADAJ-OLZOCXBDSA-N 2 2 280.372 0.092 20 0 CCADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)[NH2+]Cc1cnn(C)c1 ZINC001424867736 928323631 /nfs/dbraw/zinc/32/36/31/928323631.db2.gz VRAVHLWTNNVFRK-VXGBXAGGSA-N 2 2 290.371 0.300 20 0 CCADLP CO[C@@H](C)C[N@H+](C)[C@@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001424991032 928388158 /nfs/dbraw/zinc/38/81/58/928388158.db2.gz BUWSOKYGMFMIML-STQMWFEESA-N 2 2 296.415 0.824 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)[C@@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001424991032 928388172 /nfs/dbraw/zinc/38/81/72/928388172.db2.gz BUWSOKYGMFMIML-STQMWFEESA-N 2 2 296.415 0.824 20 0 CCADLP C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[N@H+](C)CCCO ZINC001425032590 928407642 /nfs/dbraw/zinc/40/76/42/928407642.db2.gz XVPMPMTVVFHGIO-QWHCGFSZSA-N 2 2 282.388 0.653 20 0 CCADLP C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[N@@H+](C)CCCO ZINC001425032590 928407652 /nfs/dbraw/zinc/40/76/52/928407652.db2.gz XVPMPMTVVFHGIO-QWHCGFSZSA-N 2 2 282.388 0.653 20 0 CCADLP Cc1noc(C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C)n1 ZINC001425637880 928613281 /nfs/dbraw/zinc/61/32/81/928613281.db2.gz NTSJEOIAWOCDJY-JTQLQIEISA-N 2 2 283.376 0.266 20 0 CCADLP C[C@H](CC(=O)N(C)C[C@H](O)C[NH2+]CC1CC1)n1cc[nH+]c1 ZINC001426026240 928733737 /nfs/dbraw/zinc/73/37/37/928733737.db2.gz BBGLPGJROGZNEK-TZMCWYRMSA-N 2 2 294.399 0.653 20 0 CCADLP COC[C@@H](C)[NH2+]C1CC(N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001426232166 928793453 /nfs/dbraw/zinc/79/34/53/928793453.db2.gz OLKINNVFLTUJHW-VOMCLLRMSA-N 2 2 280.372 0.566 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC001363161696 928935094 /nfs/dbraw/zinc/93/50/94/928935094.db2.gz MSHWEMQXSGPFNV-UHFFFAOYSA-N 2 2 294.399 0.268 20 0 CCADLP Cc1n[nH]cc1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC001363358919 929145060 /nfs/dbraw/zinc/14/50/60/929145060.db2.gz QRGIXHWLTJNVJI-OAHLLOKOSA-N 2 2 293.415 0.214 20 0 CCADLP C[NH+](C)Cc1cnc(C[NH2+]C(C)(C)CNC(N)=O)s1 ZINC001363420776 929207753 /nfs/dbraw/zinc/20/77/53/929207753.db2.gz 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GCOQOVBURLYQPL-QWHCGFSZSA-N 2 2 294.399 0.578 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001373648408 930282769 /nfs/dbraw/zinc/28/27/69/930282769.db2.gz GCOQOVBURLYQPL-QWHCGFSZSA-N 2 2 294.399 0.578 20 0 CCADLP COCC[NH+]1CCC(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001373949827 930374949 /nfs/dbraw/zinc/37/49/49/930374949.db2.gz RGSHEPZBBOMMIJ-UHFFFAOYSA-N 2 2 294.399 0.817 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]C[C@@H]1CCOC1 ZINC001374070849 930416864 /nfs/dbraw/zinc/41/68/64/930416864.db2.gz AYMYUDXDLSIBOC-NEPJUHHUSA-N 2 2 280.372 0.331 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC1(C)CC[NH+](CCF)CC1 ZINC001446481471 930416785 /nfs/dbraw/zinc/41/67/85/930416785.db2.gz NKMQPBWFEJFKBK-UHFFFAOYSA-N 2 2 282.363 0.903 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@](C)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001446543336 930431250 /nfs/dbraw/zinc/43/12/50/930431250.db2.gz WUDZCVZBFPZWAX-DOMZBBRYSA-N 2 2 294.399 0.958 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)CCc2c[nH]c[nH+]2)C1 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O=C(Cc1[nH]cc[nH+]1)N[C@@H](C[NH2+]C[C@@H]1CCOC1)C1CC1 ZINC001375263671 930831948 /nfs/dbraw/zinc/83/19/48/930831948.db2.gz DTNCCEDHSKBZBT-AAEUAGOBSA-N 2 2 292.383 0.473 20 0 CCADLP CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001448461953 930894548 /nfs/dbraw/zinc/89/45/48/930894548.db2.gz HVIGGAWWANOMFS-WCQYABFASA-N 2 2 280.372 0.568 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](CO)[NH2+]CCC1CCCC1 ZINC001448916715 931028084 /nfs/dbraw/zinc/02/80/84/931028084.db2.gz FUKVINBSDGNOMP-CYBMUJFWSA-N 2 2 294.399 0.599 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]Cc1cnon1 ZINC001376724460 931249479 /nfs/dbraw/zinc/24/94/79/931249479.db2.gz LKNRJZMROPMCQA-GXFFZTMASA-N 2 2 293.371 0.006 20 0 CCADLP CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ncccn1)[NH+](C)C ZINC001376752454 931258419 /nfs/dbraw/zinc/25/84/19/931258419.db2.gz YMTVAHXTWMUKOD-JSGCOSHPSA-N 2 2 293.415 0.657 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]C[C@@H](C)O)CCC1 ZINC001376806024 931284028 /nfs/dbraw/zinc/28/40/28/931284028.db2.gz FOOWCNYSCAEAFN-SNVBAGLBSA-N 2 2 280.372 0.270 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC[C@@H]1CCCO1 ZINC001376823636 931291026 /nfs/dbraw/zinc/29/10/26/931291026.db2.gz JUNKAAAEKFHQIV-YPMHNXCESA-N 2 2 280.372 0.616 20 0 CCADLP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]Cc1cnon1 ZINC001376828817 931294245 /nfs/dbraw/zinc/29/42/45/931294245.db2.gz UCYWJDCONFTJKH-NSHDSACASA-N 2 2 295.387 0.396 20 0 CCADLP CO[C@@H](C[NH2+][C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1)C1CCC1 ZINC001376833602 931297917 /nfs/dbraw/zinc/29/79/17/931297917.db2.gz JWDPFUNTYRZFRP-AAEUAGOBSA-N 2 2 294.399 0.862 20 0 CCADLP Cc1nnc([C@H](C)[NH2+][C@H](C)CNC(=O)C[NH+]2CCCC2)o1 ZINC001376871477 931309147 /nfs/dbraw/zinc/30/91/47/931309147.db2.gz ASFKWQPRTJMGLU-MNOVXSKESA-N 2 2 295.387 0.629 20 0 CCADLP O[C@]1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CCOC1 ZINC000090850363 349444614 /nfs/dbraw/zinc/44/46/14/349444614.db2.gz BYNULSRGSYQVOA-HNNXBMFYSA-N 2 2 277.368 0.791 20 0 CCADLP Cn1nccc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091662280 349471934 /nfs/dbraw/zinc/47/19/34/349471934.db2.gz AXTKLWLYSGYKDW-CHWSQXEVSA-N 2 2 250.346 0.373 20 0 CCADLP Cn1nccc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091662280 349471936 /nfs/dbraw/zinc/47/19/36/349471936.db2.gz AXTKLWLYSGYKDW-CHWSQXEVSA-N 2 2 250.346 0.373 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cnn(C)c1 ZINC000091662397 349472359 /nfs/dbraw/zinc/47/23/59/349472359.db2.gz ZXHFPJWCVDJRAH-IACUBPJLSA-N 2 2 264.373 0.934 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cnn(C)c1 ZINC000091662397 349472362 /nfs/dbraw/zinc/47/23/62/349472362.db2.gz ZXHFPJWCVDJRAH-IACUBPJLSA-N 2 2 264.373 0.934 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[NH+]2CCC([NH3+])CC2)CC1 ZINC000092714308 349503097 /nfs/dbraw/zinc/50/30/97/349503097.db2.gz XFMZKEBDNKEUTJ-UHFFFAOYSA-N 3 2 268.405 0.010 20 0 CCADLP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000092955601 349515869 /nfs/dbraw/zinc/51/58/69/349515869.db2.gz GEPOZCSLSLKZIY-VXGBXAGGSA-N 2 2 269.389 0.211 20 0 CCADLP O=C([C@@H]1C[NH2+]Cc2ccccc21)N1CC[NH+](CCO)CC1 ZINC000082802938 178302797 /nfs/dbraw/zinc/30/27/97/178302797.db2.gz FEHMTTMNGXWLPR-OAHLLOKOSA-N 2 2 289.379 0.010 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000337649773 214195813 /nfs/dbraw/zinc/19/58/13/214195813.db2.gz ZWVFOKSOEXTZJX-NSHDSACASA-N 2 2 250.346 0.656 20 0 CCADLP C[N@H+](CCCO)C1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000093394942 349541642 /nfs/dbraw/zinc/54/16/42/349541642.db2.gz QWCQZMPZTQWGIM-UHFFFAOYSA-N 2 2 252.362 0.688 20 0 CCADLP C[N@@H+](CCCO)C1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000093394942 349541644 /nfs/dbraw/zinc/54/16/44/349541644.db2.gz QWCQZMPZTQWGIM-UHFFFAOYSA-N 2 2 252.362 0.688 20 0 CCADLP C[N@H+](CCCO)C1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000093394942 349541646 /nfs/dbraw/zinc/54/16/46/349541646.db2.gz QWCQZMPZTQWGIM-UHFFFAOYSA-N 2 2 252.362 0.688 20 0 CCADLP C[N@@H+](CCCO)C1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000093394942 349541647 /nfs/dbraw/zinc/54/16/47/349541647.db2.gz QWCQZMPZTQWGIM-UHFFFAOYSA-N 2 2 252.362 0.688 20 0 CCADLP CC(=O)C1(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000617507720 365663889 /nfs/dbraw/zinc/66/38/89/365663889.db2.gz GYVNXIZIWZAAFK-LBPRGKRZSA-N 2 2 283.416 0.744 20 0 CCADLP CC(=O)C1(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000617507720 365663890 /nfs/dbraw/zinc/66/38/90/365663890.db2.gz GYVNXIZIWZAAFK-LBPRGKRZSA-N 2 2 283.416 0.744 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)NCc2ccccc2)CC[C@@H]1[NH3+] ZINC000094341784 349566940 /nfs/dbraw/zinc/56/69/40/349566940.db2.gz GRPMUEYUUMSYKL-OCCSQVGLSA-N 2 2 261.369 0.972 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)NCc2ccccc2)CC[C@@H]1[NH3+] ZINC000094341784 349566944 /nfs/dbraw/zinc/56/69/44/349566944.db2.gz GRPMUEYUUMSYKL-OCCSQVGLSA-N 2 2 261.369 0.972 20 0 CCADLP CS[C@H]1CC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000600190387 361886261 /nfs/dbraw/zinc/88/62/61/361886261.db2.gz ZOJRLTLPHFMHFI-WOPDTQHZSA-N 2 2 271.430 0.810 20 0 CCADLP CS[C@H]1CC[C@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000600190387 361886266 /nfs/dbraw/zinc/88/62/66/361886266.db2.gz ZOJRLTLPHFMHFI-WOPDTQHZSA-N 2 2 271.430 0.810 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[NH+]2C2CC2)CCO1 ZINC000428078028 529392784 /nfs/dbraw/zinc/39/27/84/529392784.db2.gz YTJMXBQEYUIDNZ-CABCVRRESA-N 2 2 295.427 0.840 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[NH+]2C2CC2)CCO1 ZINC000428078028 529392785 /nfs/dbraw/zinc/39/27/85/529392785.db2.gz YTJMXBQEYUIDNZ-CABCVRRESA-N 2 2 295.427 0.840 20 0 CCADLP CC[C@@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)CCO1 ZINC000428078028 529392788 /nfs/dbraw/zinc/39/27/88/529392788.db2.gz YTJMXBQEYUIDNZ-CABCVRRESA-N 2 2 295.427 0.840 20 0 CCADLP CC[C@@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@H+]2C2CC2)CCO1 ZINC000428078028 529392790 /nfs/dbraw/zinc/39/27/90/529392790.db2.gz YTJMXBQEYUIDNZ-CABCVRRESA-N 2 2 295.427 0.840 20 0 CCADLP C[C@H](C(=O)N1CC[NH+](CC2CC2)CC1)N1CC[NH+](C)CC1 ZINC000338055970 214382115 /nfs/dbraw/zinc/38/21/15/214382115.db2.gz ONKDYJZUNPPFLQ-CQSZACIVSA-N 2 2 294.443 0.177 20 0 CCADLP COC[C@@H]([NH3+])C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000262340687 536662538 /nfs/dbraw/zinc/66/25/38/536662538.db2.gz SSJSOUFGJRJUCK-LLVKDONJSA-N 2 2 262.313 0.233 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC000493044522 529552734 /nfs/dbraw/zinc/55/27/34/529552734.db2.gz HORIDFCMSFSFEU-GFSGRHGLSA-N 2 2 290.367 0.506 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000418706671 529559228 /nfs/dbraw/zinc/55/92/28/529559228.db2.gz FSVFPXUGWCIQLP-GFCCVEGCSA-N 2 2 277.372 0.651 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000418728259 529559267 /nfs/dbraw/zinc/55/92/67/529559267.db2.gz NBUBBEGJSUEXCI-CYBMUJFWSA-N 2 2 291.399 0.646 20 0 CCADLP [NH3+]CC[C@H]1CCCC[N@@H+]1CC(=O)NCC(F)(F)F ZINC000104315506 349714925 /nfs/dbraw/zinc/71/49/25/349714925.db2.gz WFCKZFDJHNEHDF-SECBINFHSA-N 2 2 267.295 0.868 20 0 CCADLP [NH3+]CC[C@H]1CCCC[N@H+]1CC(=O)NCC(F)(F)F ZINC000104315506 349714929 /nfs/dbraw/zinc/71/49/29/349714929.db2.gz WFCKZFDJHNEHDF-SECBINFHSA-N 2 2 267.295 0.868 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000104387269 349716830 /nfs/dbraw/zinc/71/68/30/349716830.db2.gz UYMYLFGYUXPCRO-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000104387269 349716833 /nfs/dbraw/zinc/71/68/33/349716833.db2.gz UYMYLFGYUXPCRO-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP CCOC(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000107372295 349737219 /nfs/dbraw/zinc/73/72/19/349737219.db2.gz ZZXKOMJVZRFYTF-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP CCOC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000107372295 349737221 /nfs/dbraw/zinc/73/72/21/349737221.db2.gz ZZXKOMJVZRFYTF-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP C[C@H](C(=O)NC1CCCC1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107579211 349739070 /nfs/dbraw/zinc/73/90/70/349739070.db2.gz WIEFIPMLWLPFAO-IJLUTSLNSA-N 2 2 251.374 0.585 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000277574921 282207573 /nfs/dbraw/zinc/20/75/73/282207573.db2.gz VIAALOFVCMMEKK-GTNSWQLSSA-N 2 2 255.387 0.892 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000277574921 282207574 /nfs/dbraw/zinc/20/75/74/282207574.db2.gz VIAALOFVCMMEKK-GTNSWQLSSA-N 2 2 255.387 0.892 20 0 CCADLP Cn1nncc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000355213171 282211693 /nfs/dbraw/zinc/21/16/93/282211693.db2.gz PTSYVDQWRSJDPL-MRVWCRGKSA-N 2 2 279.388 0.499 20 0 CCADLP Cn1nncc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000355213171 282211695 /nfs/dbraw/zinc/21/16/95/282211695.db2.gz PTSYVDQWRSJDPL-MRVWCRGKSA-N 2 2 279.388 0.499 20 0 CCADLP COC(=O)c1cnc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cn1 ZINC000600706995 362039421 /nfs/dbraw/zinc/03/94/21/362039421.db2.gz WHOWNYQUQRKHQS-GHMZBOCLSA-N 2 2 278.356 0.822 20 0 CCADLP COC(=O)c1cnc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cn1 ZINC000600706995 362039425 /nfs/dbraw/zinc/03/94/25/362039425.db2.gz WHOWNYQUQRKHQS-GHMZBOCLSA-N 2 2 278.356 0.822 20 0 CCADLP COC(=O)c1cnc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000600708168 362039478 /nfs/dbraw/zinc/03/94/78/362039478.db2.gz JJWBYKLYIQUVPD-AWEZNQCLSA-N 2 2 276.340 0.449 20 0 CCADLP COC(=O)c1cnc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000600708168 362039482 /nfs/dbraw/zinc/03/94/82/362039482.db2.gz JJWBYKLYIQUVPD-AWEZNQCLSA-N 2 2 276.340 0.449 20 0 CCADLP COC(=O)c1cnc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cn1 ZINC000600711801 362042410 /nfs/dbraw/zinc/04/24/10/362042410.db2.gz SKMXFCYSGGYGFJ-NSHDSACASA-N 2 2 266.345 0.726 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600728174 362047089 /nfs/dbraw/zinc/04/70/89/362047089.db2.gz SDQOTCJQOUHLQM-GJMOJQLCSA-N 2 2 296.293 0.029 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600728174 362047095 /nfs/dbraw/zinc/04/70/95/362047095.db2.gz SDQOTCJQOUHLQM-GJMOJQLCSA-N 2 2 296.293 0.029 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CC3=Cc4ccccc4OC3)CCN2C1=O ZINC000600769336 362058806 /nfs/dbraw/zinc/05/88/06/362058806.db2.gz MYYSFKOSIMHHDF-HUUCEWRRSA-N 2 2 299.374 0.706 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CC3=Cc4ccccc4OC3)CCN2C1=O ZINC000600769336 362058809 /nfs/dbraw/zinc/05/88/09/362058809.db2.gz MYYSFKOSIMHHDF-HUUCEWRRSA-N 2 2 299.374 0.706 20 0 CCADLP CS[C@@H]1CN(c2nc(C)[nH+]c(N)n2)C[C@H]1[NH+](C)C ZINC000601134430 362154499 /nfs/dbraw/zinc/15/44/99/362154499.db2.gz CHTQCJHGEJMYMA-RKDXNWHRSA-N 2 2 268.390 0.074 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000617732399 365743190 /nfs/dbraw/zinc/74/31/90/365743190.db2.gz FDCGOXVAUJKSJO-CHWSQXEVSA-N 2 2 271.405 0.554 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000617732399 365743194 /nfs/dbraw/zinc/74/31/94/365743194.db2.gz FDCGOXVAUJKSJO-CHWSQXEVSA-N 2 2 271.405 0.554 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000601334028 362230923 /nfs/dbraw/zinc/23/09/23/362230923.db2.gz VVZANQLRWWSWAJ-RISCZKNCSA-N 2 2 282.388 0.200 20 0 CCADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@H](O)C1 ZINC000113502627 349812718 /nfs/dbraw/zinc/81/27/18/349812718.db2.gz ZRBLXPWTGGEXCQ-LSDHHAIUSA-N 2 2 264.369 0.546 20 0 CCADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@H](O)C1 ZINC000113502627 349812724 /nfs/dbraw/zinc/81/27/24/349812724.db2.gz ZRBLXPWTGGEXCQ-LSDHHAIUSA-N 2 2 264.369 0.546 20 0 CCADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CC[C@H](O)C1 ZINC000113502627 349812729 /nfs/dbraw/zinc/81/27/29/349812729.db2.gz ZRBLXPWTGGEXCQ-LSDHHAIUSA-N 2 2 264.369 0.546 20 0 CCADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CC[C@H](O)C1 ZINC000113502627 349812733 /nfs/dbraw/zinc/81/27/33/349812733.db2.gz ZRBLXPWTGGEXCQ-LSDHHAIUSA-N 2 2 264.369 0.546 20 0 CCADLP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CC(O)C1 ZINC000329445839 136380181 /nfs/dbraw/zinc/38/01/81/136380181.db2.gz BKYRFCKKMBWSOU-UHFFFAOYSA-N 2 2 291.399 0.184 20 0 CCADLP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CC(O)C1 ZINC000329445839 136380182 /nfs/dbraw/zinc/38/01/82/136380182.db2.gz BKYRFCKKMBWSOU-UHFFFAOYSA-N 2 2 291.399 0.184 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113516294 349815133 /nfs/dbraw/zinc/81/51/33/349815133.db2.gz CAGRRDIRFAXPDY-GFCCVEGCSA-N 2 2 284.404 0.496 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113516294 349815136 /nfs/dbraw/zinc/81/51/36/349815136.db2.gz CAGRRDIRFAXPDY-GFCCVEGCSA-N 2 2 284.404 0.496 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1cncnc1 ZINC000617764083 365766481 /nfs/dbraw/zinc/76/64/81/365766481.db2.gz IIHJSLZWKNAPNY-UHFFFAOYSA-N 2 2 279.388 0.019 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1cncnc1 ZINC000617764083 365766486 /nfs/dbraw/zinc/76/64/86/365766486.db2.gz IIHJSLZWKNAPNY-UHFFFAOYSA-N 2 2 279.388 0.019 20 0 CCADLP CO[C@@H]1CC[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000617763336 365766538 /nfs/dbraw/zinc/76/65/38/365766538.db2.gz NQQYGDRFLIXAQW-ZIAGYGMSSA-N 2 2 285.432 0.801 20 0 CCADLP CO[C@@H]1CC[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000617763336 365766544 /nfs/dbraw/zinc/76/65/44/365766544.db2.gz NQQYGDRFLIXAQW-ZIAGYGMSSA-N 2 2 285.432 0.801 20 0 CCADLP CCOC1(C(=O)NCC[N@H+](C)CCC[NH+](C)C)CCC1 ZINC000617763164 365766934 /nfs/dbraw/zinc/76/69/34/365766934.db2.gz HWNXCGVNWOVDOJ-UHFFFAOYSA-N 2 2 285.432 0.945 20 0 CCADLP CCOC1(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCC1 ZINC000617763164 365766937 /nfs/dbraw/zinc/76/69/37/365766937.db2.gz HWNXCGVNWOVDOJ-UHFFFAOYSA-N 2 2 285.432 0.945 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1cncs1 ZINC000617764873 365769261 /nfs/dbraw/zinc/76/92/61/365769261.db2.gz JXIMDMPWXNZKAX-UHFFFAOYSA-N 2 2 284.429 0.685 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1cncs1 ZINC000617764873 365769270 /nfs/dbraw/zinc/76/92/70/365769270.db2.gz JXIMDMPWXNZKAX-UHFFFAOYSA-N 2 2 284.429 0.685 20 0 CCADLP Cn1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cn1 ZINC000617768439 365772763 /nfs/dbraw/zinc/77/27/63/365772763.db2.gz DGCSYCNWTOYIKQ-UHFFFAOYSA-N 2 2 267.377 0.033 20 0 CCADLP Cn1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000617768439 365772765 /nfs/dbraw/zinc/77/27/65/365772765.db2.gz DGCSYCNWTOYIKQ-UHFFFAOYSA-N 2 2 267.377 0.033 20 0 CCADLP Cc1cnn(CCC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000617767128 365773252 /nfs/dbraw/zinc/77/32/52/365773252.db2.gz HXLRZGOHZRRQKL-UHFFFAOYSA-N 2 2 295.431 0.581 20 0 CCADLP Cc1cnn(CCC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000617767128 365773258 /nfs/dbraw/zinc/77/32/58/365773258.db2.gz HXLRZGOHZRRQKL-UHFFFAOYSA-N 2 2 295.431 0.581 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1ccncc1 ZINC000617767929 365774077 /nfs/dbraw/zinc/77/40/77/365774077.db2.gz IPCXQQRAJXCQKN-UHFFFAOYSA-N 2 2 278.400 0.624 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1ccncc1 ZINC000617767929 365774082 /nfs/dbraw/zinc/77/40/82/365774082.db2.gz IPCXQQRAJXCQKN-UHFFFAOYSA-N 2 2 278.400 0.624 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cc(C(N)=O)cs2)C1 ZINC000358154906 529800608 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COCC[NH+](C)C[C@H](O)C[N@H+]1CCS[C@@H](C(C)C)C1 ZINC000576422234 335202013 /nfs/dbraw/zinc/20/20/13/335202013.db2.gz OBGFFCPIUTTWOO-UONOGXRCSA-N 2 2 290.473 0.999 20 0 CCADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000353950768 282308348 /nfs/dbraw/zinc/30/83/48/282308348.db2.gz GKBCRDVIAVLKBT-LBPRGKRZSA-N 2 2 283.397 0.814 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118842930 349909055 /nfs/dbraw/zinc/90/90/55/349909055.db2.gz OMOXTXNCQTWAKD-LBPRGKRZSA-N 2 2 284.404 0.496 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118842930 349909058 /nfs/dbraw/zinc/90/90/58/349909058.db2.gz OMOXTXNCQTWAKD-LBPRGKRZSA-N 2 2 284.404 0.496 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000118842930 349909060 /nfs/dbraw/zinc/90/90/60/349909060.db2.gz OMOXTXNCQTWAKD-LBPRGKRZSA-N 2 2 284.404 0.496 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842930 349909063 /nfs/dbraw/zinc/90/90/63/349909063.db2.gz 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COCc1nc2n(n1)C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)CC2 ZINC000358281912 232073941 /nfs/dbraw/zinc/07/39/41/232073941.db2.gz DLWQOOCZTDDBKX-QJPTWQEYSA-N 2 2 279.388 0.279 20 0 CCADLP COCc1nc2n(n1)C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)CC2 ZINC000358281912 232073943 /nfs/dbraw/zinc/07/39/43/232073943.db2.gz DLWQOOCZTDDBKX-QJPTWQEYSA-N 2 2 279.388 0.279 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](C)[NH+](C)C)[C@@H](C)C1 ZINC000602133903 362513027 /nfs/dbraw/zinc/51/30/27/362513027.db2.gz UEKZXLVCCSGVNV-NWDGAFQWSA-N 2 2 285.388 0.032 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](C)[NH+](C)C)[C@@H](C)C1 ZINC000602133903 362513032 /nfs/dbraw/zinc/51/30/32/362513032.db2.gz UEKZXLVCCSGVNV-NWDGAFQWSA-N 2 2 285.388 0.032 20 0 CCADLP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655241842 412518837 /nfs/dbraw/zinc/51/88/37/412518837.db2.gz SKTIXSXALDGZTO-BARDWOONSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655241842 412518840 /nfs/dbraw/zinc/51/88/40/412518840.db2.gz SKTIXSXALDGZTO-BARDWOONSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655241842 412518844 /nfs/dbraw/zinc/51/88/44/412518844.db2.gz SKTIXSXALDGZTO-BARDWOONSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655241842 412518847 /nfs/dbraw/zinc/51/88/47/412518847.db2.gz SKTIXSXALDGZTO-BARDWOONSA-N 2 2 297.443 0.942 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](C)[NH+](C)C)C[C@@H]1C ZINC000602127862 362508883 /nfs/dbraw/zinc/50/88/83/362508883.db2.gz AJGUANREUJFFMR-NWDGAFQWSA-N 2 2 285.388 0.032 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](C)[NH+](C)C)C[C@@H]1C ZINC000602127862 362508887 /nfs/dbraw/zinc/50/88/87/362508887.db2.gz AJGUANREUJFFMR-NWDGAFQWSA-N 2 2 285.388 0.032 20 0 CCADLP COC(=O)c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n1C ZINC000602494891 362643194 /nfs/dbraw/zinc/64/31/94/362643194.db2.gz QNZUHWKVUMYQJT-PHIMTYICSA-N 2 2 263.341 0.463 20 0 CCADLP COC(=O)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n1C ZINC000602494891 362643199 /nfs/dbraw/zinc/64/31/99/362643199.db2.gz QNZUHWKVUMYQJT-PHIMTYICSA-N 2 2 263.341 0.463 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)N1CC[N@H+](CCC(=O)OC)[C@H](C)C1 ZINC000602502492 362648202 /nfs/dbraw/zinc/64/82/02/362648202.db2.gz LERIDDIEUJGVJR-NEPJUHHUSA-N 2 2 285.388 0.080 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)N1CC[N@@H+](CCC(=O)OC)[C@H](C)C1 ZINC000602502492 362648205 /nfs/dbraw/zinc/64/82/05/362648205.db2.gz LERIDDIEUJGVJR-NEPJUHHUSA-N 2 2 285.388 0.080 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)[nH]c1C ZINC000602526909 362658920 /nfs/dbraw/zinc/65/89/20/362658920.db2.gz QCIQIAUMWIHONE-CYBMUJFWSA-N 2 2 295.383 0.656 20 0 CCADLP COC[C@@](C)([NH2+]CCCc1c[nH+]cn1C)C(=O)OC ZINC000573740253 334961866 /nfs/dbraw/zinc/96/18/66/334961866.db2.gz GIWQQFRHRYRDLN-CYBMUJFWSA-N 2 2 269.345 0.520 20 0 CCADLP COC(=O)c1[nH]c(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1C ZINC000602547021 362672288 /nfs/dbraw/zinc/67/22/88/362672288.db2.gz WNGUMUXZOHGUKL-CYBMUJFWSA-N 2 2 294.399 0.445 20 0 CCADLP COC(=O)c1[nH]c(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1C ZINC000602547021 362672296 /nfs/dbraw/zinc/67/22/96/362672296.db2.gz WNGUMUXZOHGUKL-CYBMUJFWSA-N 2 2 294.399 0.445 20 0 CCADLP C[C@H]1CN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC[C@H]1[NH3+] ZINC000576465608 335207519 /nfs/dbraw/zinc/20/75/19/335207519.db2.gz HVWUQSHPOQXZGO-IGQOVBAYSA-N 2 2 253.390 0.519 20 0 CCADLP C[C@H](CNC(=O)[C@@]1(C)CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000119969140 349963595 /nfs/dbraw/zinc/96/35/95/349963595.db2.gz BFLHKFIEZRFEKU-OCCSQVGLSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@H]1CN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC[C@H]1[NH3+] ZINC000576465608 335207517 /nfs/dbraw/zinc/20/75/17/335207517.db2.gz HVWUQSHPOQXZGO-IGQOVBAYSA-N 2 2 253.390 0.519 20 0 CCADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCOCCO)C1 ZINC000119988994 349964854 /nfs/dbraw/zinc/96/48/54/349964854.db2.gz QXSYLLMCTRVPFZ-CYBMUJFWSA-N 2 2 267.373 0.684 20 0 CCADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCOCCO)C1 ZINC000119988994 349964857 /nfs/dbraw/zinc/96/48/57/349964857.db2.gz QXSYLLMCTRVPFZ-CYBMUJFWSA-N 2 2 267.373 0.684 20 0 CCADLP COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000602707493 362761891 /nfs/dbraw/zinc/76/18/91/362761891.db2.gz BGHCNKRMWIJBSD-FIQHERPVSA-N 2 2 256.346 0.389 20 0 CCADLP COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000602707493 362761896 /nfs/dbraw/zinc/76/18/96/362761896.db2.gz BGHCNKRMWIJBSD-FIQHERPVSA-N 2 2 256.346 0.389 20 0 CCADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](CC)C1 ZINC000617927869 365840456 /nfs/dbraw/zinc/84/04/56/365840456.db2.gz DZYYWQSNSNPSLA-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](CC)C1 ZINC000617927869 365840461 /nfs/dbraw/zinc/84/04/61/365840461.db2.gz DZYYWQSNSNPSLA-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](CC)C1 ZINC000617927869 365840464 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COCCn1nnc2c1CC[N@H+](CCCn1cc[nH+]c1)C2 ZINC000339304403 215082732 /nfs/dbraw/zinc/08/27/32/215082732.db2.gz ZUIBRLNIORMDDD-UHFFFAOYSA-N 2 2 290.371 0.569 20 0 CCADLP COCCn1nnc2c1CC[N@@H+](CCCn1cc[nH+]c1)C2 ZINC000339304403 215082735 /nfs/dbraw/zinc/08/27/35/215082735.db2.gz ZUIBRLNIORMDDD-UHFFFAOYSA-N 2 2 290.371 0.569 20 0 CCADLP CCNC(=O)[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000339331173 215100042 /nfs/dbraw/zinc/10/00/42/215100042.db2.gz SVCLYESJVDNMMK-OLZOCXBDSA-N 2 2 271.405 0.192 20 0 CCADLP CCNC(=O)[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000339331173 215100043 /nfs/dbraw/zinc/10/00/43/215100043.db2.gz SVCLYESJVDNMMK-OLZOCXBDSA-N 2 2 271.405 0.192 20 0 CCADLP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC[NH+]1CCOC[C@H]1C ZINC000249635734 137000347 /nfs/dbraw/zinc/00/03/47/137000347.db2.gz WLUZYXLVZSDJLA-KFWWJZLASA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1C[N@H+]2CCC[C@H]2CN1CC[NH+]1CCOC[C@H]1C ZINC000249635734 137000348 /nfs/dbraw/zinc/00/03/48/137000348.db2.gz WLUZYXLVZSDJLA-KFWWJZLASA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1C[NH+]2CCC[C@H]2CN1CC[N@@H+]1CCOC[C@H]1C ZINC000249635734 137000349 /nfs/dbraw/zinc/00/03/49/137000349.db2.gz WLUZYXLVZSDJLA-KFWWJZLASA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1C[NH+]2CCC[C@H]2CN1CC[N@H+]1CCOC[C@H]1C ZINC000249635734 137000350 /nfs/dbraw/zinc/00/03/50/137000350.db2.gz WLUZYXLVZSDJLA-KFWWJZLASA-N 2 2 267.417 0.876 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000249852929 137001126 /nfs/dbraw/zinc/00/11/26/137001126.db2.gz KGDNFMUUJAUEIW-RYUDHWBXSA-N 2 2 284.404 0.672 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000249852929 137001127 /nfs/dbraw/zinc/00/11/27/137001127.db2.gz KGDNFMUUJAUEIW-RYUDHWBXSA-N 2 2 284.404 0.672 20 0 CCADLP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cnn(C)c1 ZINC000252566886 137003288 /nfs/dbraw/zinc/00/32/88/137003288.db2.gz ZXHFPJWCVDJRAH-UBHSHLNASA-N 2 2 264.373 0.934 20 0 CCADLP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cnn(C)c1 ZINC000252566886 137003289 /nfs/dbraw/zinc/00/32/89/137003289.db2.gz ZXHFPJWCVDJRAH-UBHSHLNASA-N 2 2 264.373 0.934 20 0 CCADLP Cn1nccc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252538855 137003483 /nfs/dbraw/zinc/00/34/83/137003483.db2.gz AXTKLWLYSGYKDW-STQMWFEESA-N 2 2 250.346 0.373 20 0 CCADLP Cn1nccc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252538855 137003484 /nfs/dbraw/zinc/00/34/84/137003484.db2.gz AXTKLWLYSGYKDW-STQMWFEESA-N 2 2 250.346 0.373 20 0 CCADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261577460 137009559 /nfs/dbraw/zinc/00/95/59/137009559.db2.gz OJYMBCGNDAJCDY-GXTWGEPZSA-N 2 2 253.390 0.833 20 0 CCADLP CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261577460 137009560 /nfs/dbraw/zinc/00/95/60/137009560.db2.gz OJYMBCGNDAJCDY-GXTWGEPZSA-N 2 2 253.390 0.833 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)c1ccc2[nH+]ccn2c1 ZINC000618194306 365926715 /nfs/dbraw/zinc/92/67/15/365926715.db2.gz YTCNGFSYHUJQJZ-UHFFFAOYSA-N 2 2 258.325 0.968 20 0 CCADLP O=C1c2ccccc2C(=O)N1CC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000262495984 137044780 /nfs/dbraw/zinc/04/47/80/137044780.db2.gz LKEXRVQPWQOZCW-QWHCGFSZSA-N 2 2 299.374 0.824 20 0 CCADLP O=C1c2ccccc2C(=O)N1CC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000262495984 137044781 /nfs/dbraw/zinc/04/47/81/137044781.db2.gz LKEXRVQPWQOZCW-QWHCGFSZSA-N 2 2 299.374 0.824 20 0 CCADLP C[NH+]1CCC(CNC(=O)C[NH3+])([NH+]2CCCCC2)CC1 ZINC000262630564 137048790 /nfs/dbraw/zinc/04/87/90/137048790.db2.gz FBEYTXSHYKMZPN-UHFFFAOYSA-N 3 2 268.405 0.012 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)CC1 ZINC000261698798 137015933 /nfs/dbraw/zinc/01/59/33/137015933.db2.gz HXUIYFMLZHIODB-OAHLLOKOSA-N 3 2 282.432 0.258 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@](C)(C[NH3+])C2)CC1 ZINC000261698798 137015934 /nfs/dbraw/zinc/01/59/34/137015934.db2.gz HXUIYFMLZHIODB-OAHLLOKOSA-N 3 2 282.432 0.258 20 0 CCADLP CCn1cnnc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261857297 137022710 /nfs/dbraw/zinc/02/27/10/137022710.db2.gz BVNYNZDJRXGRCZ-XQQFMLRXSA-N 2 2 279.388 0.545 20 0 CCADLP C[C@@H]([NH3+])CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000261858407 137023026 /nfs/dbraw/zinc/02/30/26/137023026.db2.gz PMWYZSKENDFWBN-CQSZACIVSA-N 3 2 296.459 0.790 20 0 CCADLP C[C@H]([NH3+])CC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000261881303 137023958 /nfs/dbraw/zinc/02/39/58/137023958.db2.gz RUUYICBRTAWQJL-AWEZNQCLSA-N 2 2 291.395 0.947 20 0 CCADLP C[C@@]1(C[NH3+])CC[N@@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000261912152 137025815 /nfs/dbraw/zinc/02/58/15/137025815.db2.gz XQYCYNJKGLZMAP-ONGXEEELSA-N 2 2 279.306 0.820 20 0 CCADLP C[C@@]1(C[NH3+])CC[N@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000261912152 137025816 /nfs/dbraw/zinc/02/58/16/137025816.db2.gz XQYCYNJKGLZMAP-ONGXEEELSA-N 2 2 279.306 0.820 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1scnc1C1CC1 ZINC000261928458 137026683 /nfs/dbraw/zinc/02/66/83/137026683.db2.gz LGDFEUMXKHJKHP-UHFFFAOYSA-N 2 2 294.424 0.884 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1scnc1C1CC1 ZINC000261928458 137026684 /nfs/dbraw/zinc/02/66/84/137026684.db2.gz LGDFEUMXKHJKHP-UHFFFAOYSA-N 2 2 294.424 0.884 20 0 CCADLP CC(C)(C)n1cc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)nn1 ZINC000262178063 137029723 /nfs/dbraw/zinc/02/97/23/137029723.db2.gz WFMJXAZHDYSUBP-AWEZNQCLSA-N 2 2 292.431 0.513 20 0 CCADLP CC(C)(C)n1cc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)nn1 ZINC000262178063 137029724 /nfs/dbraw/zinc/02/97/24/137029724.db2.gz WFMJXAZHDYSUBP-AWEZNQCLSA-N 2 2 292.431 0.513 20 0 CCADLP COC[C@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000262241275 137032516 /nfs/dbraw/zinc/03/25/16/137032516.db2.gz HSRLURGJQFSWBE-HIFRSBDPSA-N 2 2 291.395 0.693 20 0 CCADLP COC[C@H]([NH3+])C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000262241275 137032517 /nfs/dbraw/zinc/03/25/17/137032517.db2.gz HSRLURGJQFSWBE-HIFRSBDPSA-N 2 2 291.395 0.693 20 0 CCADLP [NH3+]Cc1nc(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)no1 ZINC000262317700 137037438 /nfs/dbraw/zinc/03/74/38/137037438.db2.gz ZWTSWNJBZFYKGN-LLVKDONJSA-N 2 2 293.371 0.267 20 0 CCADLP [NH3+]Cc1nc(C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)no1 ZINC000262317700 137037439 /nfs/dbraw/zinc/03/74/39/137037439.db2.gz ZWTSWNJBZFYKGN-LLVKDONJSA-N 2 2 293.371 0.267 20 0 CCADLP CN(Cc1[nH+]ccn1C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000310898396 137072829 /nfs/dbraw/zinc/07/28/29/137072829.db2.gz BWRSMISECGYSTR-LBPRGKRZSA-N 2 2 252.362 0.307 20 0 CCADLP CN(Cc1[nH+]ccn1C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310898396 137072830 /nfs/dbraw/zinc/07/28/30/137072830.db2.gz BWRSMISECGYSTR-LBPRGKRZSA-N 2 2 252.362 0.307 20 0 CCADLP [NH3+]CCN(CCO)Cc1[nH+]ccn1CC(F)(F)F ZINC000342392442 137091061 /nfs/dbraw/zinc/09/10/61/137091061.db2.gz UPWISQAMZVLNDZ-UHFFFAOYSA-N 2 2 266.267 0.198 20 0 CCADLP Cn1nccc1[C@H]1[C@H]([NH2+]Cc2c[nH+]c[nH]2)CC(=O)N1C ZINC000343486655 137137910 /nfs/dbraw/zinc/13/79/10/137137910.db2.gz ZAXDXIVWEBQLLM-ZWNOBZJWSA-N 2 2 274.328 0.205 20 0 CCADLP CC[C@@H](O)C[NH+]1CCN(C(=O)C[N@H+](CC)C2CC2)CC1 ZINC000343706538 137151216 /nfs/dbraw/zinc/15/12/16/137151216.db2.gz YYEVOFTVUFIZGA-CQSZACIVSA-N 2 2 283.416 0.386 20 0 CCADLP CC[C@@H](O)C[NH+]1CCN(C(=O)C[N@@H+](CC)C2CC2)CC1 ZINC000343706538 137151217 /nfs/dbraw/zinc/15/12/17/137151217.db2.gz YYEVOFTVUFIZGA-CQSZACIVSA-N 2 2 283.416 0.386 20 0 CCADLP C[C@H](C(=O)N(C)CCC[NH+]1CCCC1)[NH+]1CCN(C)CC1 ZINC000343747344 137154300 /nfs/dbraw/zinc/15/43/00/137154300.db2.gz JRMCDNPMPUKVTG-OAHLLOKOSA-N 2 2 296.459 0.567 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000343860576 137162372 /nfs/dbraw/zinc/16/23/72/137162372.db2.gz FYGXPBJWNUWVFV-LLVKDONJSA-N 2 2 291.342 0.022 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000344282817 137187322 /nfs/dbraw/zinc/18/73/22/137187322.db2.gz MVRFELJUWNBGBT-OWCLPIDISA-N 3 2 282.476 0.800 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000344282817 137187323 /nfs/dbraw/zinc/18/73/23/137187323.db2.gz MVRFELJUWNBGBT-OWCLPIDISA-N 3 2 282.476 0.800 20 0 CCADLP CN(C)[C@@H](C(=O)N1CC[NH+]2CCC1CC2)c1c[nH+]cn1C ZINC000339346146 215110855 /nfs/dbraw/zinc/11/08/55/215110855.db2.gz XBVDNRVFDFANHN-CQSZACIVSA-N 2 2 291.399 0.329 20 0 CCADLP CCCC[N@H+](C)CC[NH2+]C1CCN(C(N)=O)CC1 ZINC000344407961 137193138 /nfs/dbraw/zinc/19/31/38/137193138.db2.gz KMBRQBMZGUWUJW-UHFFFAOYSA-N 2 2 256.394 0.851 20 0 CCADLP CCCC[N@@H+](C)CC[NH2+]C1CCN(C(N)=O)CC1 ZINC000344407961 137193139 /nfs/dbraw/zinc/19/31/39/137193139.db2.gz KMBRQBMZGUWUJW-UHFFFAOYSA-N 2 2 256.394 0.851 20 0 CCADLP [NH3+]CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000019687538 348067399 /nfs/dbraw/zinc/06/73/99/348067399.db2.gz KIVFYOSIJFISCO-UHFFFAOYSA-N 2 2 267.760 0.943 20 0 CCADLP CC[N@@H+]1CC[C@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC000339384016 215135298 /nfs/dbraw/zinc/13/52/98/215135298.db2.gz BVUFWOKEUPABDI-UONOGXRCSA-N 2 2 264.373 0.678 20 0 CCADLP CC[N@H+]1CC[C@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC000339384016 215135300 /nfs/dbraw/zinc/13/53/00/215135300.db2.gz BVUFWOKEUPABDI-UONOGXRCSA-N 2 2 264.373 0.678 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]C[C@@]2(CCO)CCOC2)[C@@H](C)C1 ZINC000344787983 137213757 /nfs/dbraw/zinc/21/37/57/137213757.db2.gz JBHIIEZYJZCYKM-MELADBBJSA-N 2 2 256.390 0.705 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]C[C@@]2(CCO)CCOC2)[C@@H](C)C1 ZINC000344787983 137213758 /nfs/dbraw/zinc/21/37/58/137213758.db2.gz JBHIIEZYJZCYKM-MELADBBJSA-N 2 2 256.390 0.705 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000037008677 348178599 /nfs/dbraw/zinc/17/85/99/348178599.db2.gz PTRCMPJOBOKOAY-QPSCCSFWSA-N 2 2 295.427 0.744 20 0 CCADLP [NH3+]C1CC[NH+](CC(=O)NCCOc2ccccc2)CC1 ZINC000036754026 348170466 /nfs/dbraw/zinc/17/04/66/348170466.db2.gz BIZLUXIVHXQMOS-UHFFFAOYSA-N 2 2 277.368 0.605 20 0 CCADLP CC(C)C[C@@H](CNC(=O)C[NH2+]C1CC1)[NH+]1CCOCC1 ZINC000040824668 348243567 /nfs/dbraw/zinc/24/35/67/348243567.db2.gz PBWPUGWPDZBHKB-AWEZNQCLSA-N 2 2 283.416 0.602 20 0 CCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000041573346 348257170 /nfs/dbraw/zinc/25/71/70/348257170.db2.gz GDEKTAZHDFIZRJ-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CC(F)F ZINC000345696520 137246269 /nfs/dbraw/zinc/24/62/69/137246269.db2.gz RDEDQCPENYFYTM-VIFPVBQESA-N 2 2 279.331 0.196 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CC(F)F ZINC000345696520 137246270 /nfs/dbraw/zinc/24/62/70/137246270.db2.gz RDEDQCPENYFYTM-VIFPVBQESA-N 2 2 279.331 0.196 20 0 CCADLP [NH3+][C@H](CC(F)F)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000345756560 137250839 /nfs/dbraw/zinc/25/08/39/137250839.db2.gz FONJPSWLKAJDEB-SECBINFHSA-N 2 2 287.314 0.036 20 0 CCADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nnnn2C)[C@H](C)C1 ZINC000346557870 137292543 /nfs/dbraw/zinc/29/25/43/137292543.db2.gz IVXXACRJQNHMRN-OLZOCXBDSA-N 2 2 296.419 0.437 20 0 CCADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nnnn2C)[C@H](C)C1 ZINC000346557870 137292544 /nfs/dbraw/zinc/29/25/44/137292544.db2.gz IVXXACRJQNHMRN-OLZOCXBDSA-N 2 2 296.419 0.437 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000047617949 348381804 /nfs/dbraw/zinc/38/18/04/348381804.db2.gz QUHJZTZFELKEDH-UHFFFAOYSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C)CC2(C)C)C1 ZINC000347484851 137339065 /nfs/dbraw/zinc/33/90/65/137339065.db2.gz PEQQBYSLUXPWLL-GFCCVEGCSA-N 2 2 269.389 0.260 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](C)CC2(C)C)C1 ZINC000347484851 137339066 /nfs/dbraw/zinc/33/90/66/137339066.db2.gz PEQQBYSLUXPWLL-GFCCVEGCSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](C)CC2(C)C)C1 ZINC000347484851 137339067 /nfs/dbraw/zinc/33/90/67/137339067.db2.gz PEQQBYSLUXPWLL-GFCCVEGCSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](C)CC2(C)C)C1 ZINC000347484851 137339068 /nfs/dbraw/zinc/33/90/68/137339068.db2.gz PEQQBYSLUXPWLL-GFCCVEGCSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1cnnn1C ZINC000347833804 137360165 /nfs/dbraw/zinc/36/01/65/137360165.db2.gz OTXQWGUDJDBWBJ-LLVKDONJSA-N 2 2 253.350 0.016 20 0 CCADLP C[C@H](O)[C@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)CCO1 ZINC000412068313 233022712 /nfs/dbraw/zinc/02/27/12/233022712.db2.gz IHDZXWCWMQKKFA-BFHYXJOUSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@H](O)[C@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)CCO1 ZINC000412068313 233022718 /nfs/dbraw/zinc/02/27/18/233022718.db2.gz IHDZXWCWMQKKFA-BFHYXJOUSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@H](O)[C@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)CCO1 ZINC000412068313 233022722 /nfs/dbraw/zinc/02/27/22/233022722.db2.gz IHDZXWCWMQKKFA-BFHYXJOUSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@H](O)[C@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)CCO1 ZINC000412068313 233022729 /nfs/dbraw/zinc/02/27/29/233022729.db2.gz IHDZXWCWMQKKFA-BFHYXJOUSA-N 2 2 256.390 0.942 20 0 CCADLP C[NH2+][C@@H](C)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000054074858 348541618 /nfs/dbraw/zinc/54/16/18/348541618.db2.gz WJFAMDILYUOWBV-LBPRGKRZSA-N 2 2 262.357 0.334 20 0 CCADLP C[C@]1(C(=O)N2CC[NH+](Cc3ccccn3)CC2)CC[NH2+]C1 ZINC000062894775 348671936 /nfs/dbraw/zinc/67/19/36/348671936.db2.gz HUUJTFVNWZNIBJ-INIZCTEOSA-N 2 2 288.395 0.725 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccsc2)CC1 ZINC000059639510 348638783 /nfs/dbraw/zinc/63/87/83/348638783.db2.gz RFCMNRLWUMHCDB-UHFFFAOYSA-N 2 2 253.371 0.612 20 0 CCADLP [NH3+]CCc1ccccc1C(=O)NCC[NH+]1CCOCC1 ZINC000070551666 348892845 /nfs/dbraw/zinc/89/28/45/348892845.db2.gz VOWSMQZCJHATSG-UHFFFAOYSA-N 2 2 277.368 0.250 20 0 CCADLP c1ncn(CC[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000069858839 348863163 /nfs/dbraw/zinc/86/31/63/348863163.db2.gz DXWHYAAWBILGEI-AWEZNQCLSA-N 2 2 279.388 0.322 20 0 CCADLP c1ncn(CC[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000069858839 348863169 /nfs/dbraw/zinc/86/31/69/348863169.db2.gz DXWHYAAWBILGEI-AWEZNQCLSA-N 2 2 279.388 0.322 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000070174069 348876494 /nfs/dbraw/zinc/87/64/94/348876494.db2.gz LNOJSUFUJWKJDE-UWVGGRQHSA-N 2 2 268.361 0.034 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000070174069 348876497 /nfs/dbraw/zinc/87/64/97/348876497.db2.gz LNOJSUFUJWKJDE-UWVGGRQHSA-N 2 2 268.361 0.034 20 0 CCADLP COCCCNC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075836155 349053642 /nfs/dbraw/zinc/05/36/42/349053642.db2.gz MPRICJDPDGCBJO-OAHLLOKOSA-N 2 2 297.443 0.947 20 0 CCADLP COCCCNC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075836155 349053644 /nfs/dbraw/zinc/05/36/44/349053644.db2.gz MPRICJDPDGCBJO-OAHLLOKOSA-N 2 2 297.443 0.947 20 0 CCADLP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)[C@H]1CCC[NH2+]1 ZINC000075503110 349035570 /nfs/dbraw/zinc/03/55/70/349035570.db2.gz JMGQAMKDPLRUHC-CYBMUJFWSA-N 2 2 290.367 0.286 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC000076003717 349063675 /nfs/dbraw/zinc/06/36/75/349063675.db2.gz ZJOCOGBGPPXPSJ-GFCCVEGCSA-N 2 2 253.390 0.929 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC000076003717 349063681 /nfs/dbraw/zinc/06/36/81/349063681.db2.gz ZJOCOGBGPPXPSJ-GFCCVEGCSA-N 2 2 253.390 0.929 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CCNS(C)(=O)=O)[C@H](C)C1 ZINC000081097049 349246298 /nfs/dbraw/zinc/24/62/98/349246298.db2.gz NOIVNQRPTRDXGM-NEPJUHHUSA-N 2 2 277.434 0.198 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CCNS(C)(=O)=O)[C@H](C)C1 ZINC000081097049 349246299 /nfs/dbraw/zinc/24/62/99/349246299.db2.gz NOIVNQRPTRDXGM-NEPJUHHUSA-N 2 2 277.434 0.198 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CCNS(C)(=O)=O)[C@H](C)C1 ZINC000081097049 349246302 /nfs/dbraw/zinc/24/63/02/349246302.db2.gz NOIVNQRPTRDXGM-NEPJUHHUSA-N 2 2 277.434 0.198 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CCNS(C)(=O)=O)[C@H](C)C1 ZINC000081097049 349246305 /nfs/dbraw/zinc/24/63/05/349246305.db2.gz NOIVNQRPTRDXGM-NEPJUHHUSA-N 2 2 277.434 0.198 20 0 CCADLP O=C(NCc1c[nH+]c[nH]1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000088751131 349371130 /nfs/dbraw/zinc/37/11/30/349371130.db2.gz HSWOCXNLWHNDOI-CYBMUJFWSA-N 2 2 256.309 0.913 20 0 CCADLP O=C(NCc1c[nH]c[nH+]1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000088751131 349371136 /nfs/dbraw/zinc/37/11/36/349371136.db2.gz HSWOCXNLWHNDOI-CYBMUJFWSA-N 2 2 256.309 0.913 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H]2CCC[C@@H]2O)n1C ZINC000089159736 349377772 /nfs/dbraw/zinc/37/77/72/349377772.db2.gz VGKDGVZKRCRMOF-PWSUYJOCSA-N 2 2 252.362 0.737 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2ccc(F)c(F)c2)[C@@H](C[NH3+])C1 ZINC000120762587 350004411 /nfs/dbraw/zinc/00/44/11/350004411.db2.gz VDPJHDSUHFRCRS-NSHDSACASA-N 2 2 283.322 0.609 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2ccc(F)c(F)c2)[C@@H](C[NH3+])C1 ZINC000120762587 350004416 /nfs/dbraw/zinc/00/44/16/350004416.db2.gz VDPJHDSUHFRCRS-NSHDSACASA-N 2 2 283.322 0.609 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000121101793 350022142 /nfs/dbraw/zinc/02/21/42/350022142.db2.gz IJTCTPAOSJNOSB-HNNXBMFYSA-N 2 2 288.395 0.820 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000121101793 350022146 /nfs/dbraw/zinc/02/21/46/350022146.db2.gz IJTCTPAOSJNOSB-HNNXBMFYSA-N 2 2 288.395 0.820 20 0 CCADLP CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926650 349413142 /nfs/dbraw/zinc/41/31/42/349413142.db2.gz XVITUQTURJHQAE-CYBMUJFWSA-N 2 2 293.415 0.797 20 0 CCADLP CCc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000122651793 350067440 /nfs/dbraw/zinc/06/74/40/350067440.db2.gz LNCGIFHTAFJZFI-AWEZNQCLSA-N 2 2 261.369 0.964 20 0 CCADLP CCc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000122651793 350067443 /nfs/dbraw/zinc/06/74/43/350067443.db2.gz LNCGIFHTAFJZFI-AWEZNQCLSA-N 2 2 261.369 0.964 20 0 CCADLP C[N@H+]1CCN(C(=O)Nc2cccc(F)c2)[C@H](C[NH3+])C1 ZINC000122670036 350067800 /nfs/dbraw/zinc/06/78/00/350067800.db2.gz GTNDKSJAELDGOA-GFCCVEGCSA-N 2 2 266.320 0.932 20 0 CCADLP C[N@H+]1CCN(C(=O)Nc2ccccc2F)[C@H](C[NH3+])C1 ZINC000122666530 350068202 /nfs/dbraw/zinc/06/82/02/350068202.db2.gz VJIOGCQCUXXPDI-SNVBAGLBSA-N 2 2 266.320 0.932 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NC(=O)NC(C)(C)C ZINC000124587780 350101314 /nfs/dbraw/zinc/10/13/14/350101314.db2.gz IMWXFOPXEQQDLK-NXEZZACHSA-N 2 2 270.377 0.422 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NC(=O)NC(C)(C)C ZINC000124587780 350101318 /nfs/dbraw/zinc/10/13/18/350101318.db2.gz IMWXFOPXEQQDLK-NXEZZACHSA-N 2 2 270.377 0.422 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCN(S(C)(=O)=O)CC1 ZINC000124821665 350108357 /nfs/dbraw/zinc/10/83/57/350108357.db2.gz ZMGYCCVCJKMJCW-CYBMUJFWSA-N 2 2 289.445 0.438 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCN(S(C)(=O)=O)CC1 ZINC000124821665 350108359 /nfs/dbraw/zinc/10/83/59/350108359.db2.gz ZMGYCCVCJKMJCW-CYBMUJFWSA-N 2 2 289.445 0.438 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000124821665 350108361 /nfs/dbraw/zinc/10/83/61/350108361.db2.gz ZMGYCCVCJKMJCW-CYBMUJFWSA-N 2 2 289.445 0.438 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000124821665 350108363 /nfs/dbraw/zinc/10/83/63/350108363.db2.gz ZMGYCCVCJKMJCW-CYBMUJFWSA-N 2 2 289.445 0.438 20 0 CCADLP CC[NH2+]Cc1cccc(NC(=O)CN2CC[NH2+]CC2=O)c1 ZINC000124132995 350089885 /nfs/dbraw/zinc/08/98/85/350089885.db2.gz NPYQWRIZEMATKC-UHFFFAOYSA-N 2 2 290.367 0.166 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)c1csc(C[NH3+])n1 ZINC000090930402 180064294 /nfs/dbraw/zinc/06/42/94/180064294.db2.gz RALHXCCQFDRKCS-VIFPVBQESA-N 2 2 284.385 0.052 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000127337024 350166579 /nfs/dbraw/zinc/16/65/79/350166579.db2.gz XGIFVZNVHKGZQT-RBSFLKMASA-N 3 2 268.449 0.695 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000127337024 350166580 /nfs/dbraw/zinc/16/65/80/350166580.db2.gz XGIFVZNVHKGZQT-RBSFLKMASA-N 3 2 268.449 0.695 20 0 CCADLP C[N@H+](CCNC(=O)NCC[NH+]1CCOCC1)C1CCCC1 ZINC000104779993 186023465 /nfs/dbraw/zinc/02/34/65/186023465.db2.gz CWTDRJVGWHEMRH-UHFFFAOYSA-N 2 2 298.431 0.492 20 0 CCADLP C[N@@H+](CCNC(=O)NCC[NH+]1CCOCC1)C1CCCC1 ZINC000104779993 186023466 /nfs/dbraw/zinc/02/34/66/186023466.db2.gz CWTDRJVGWHEMRH-UHFFFAOYSA-N 2 2 298.431 0.492 20 0 CCADLP COC(=O)C1(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000128797401 350198475 /nfs/dbraw/zinc/19/84/75/350198475.db2.gz BATMLNUBMNAFTN-UHFFFAOYSA-N 2 2 297.399 0.082 20 0 CCADLP C(C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)OC[C@@H]1CCCO1 ZINC000129414894 350213724 /nfs/dbraw/zinc/21/37/24/350213724.db2.gz GXIQXRDYCDXBGN-HOTGVXAUSA-N 2 2 298.427 0.836 20 0 CCADLP C(C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)OC[C@@H]1CCCO1 ZINC000129414894 350213727 /nfs/dbraw/zinc/21/37/27/350213727.db2.gz GXIQXRDYCDXBGN-HOTGVXAUSA-N 2 2 298.427 0.836 20 0 CCADLP CC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000130344651 350235027 /nfs/dbraw/zinc/23/50/27/350235027.db2.gz TYKZWCLPSRRXMT-CABCVRRESA-N 2 2 291.395 0.913 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)CCC(=O)N1CCOCC1 ZINC000130365764 350236016 /nfs/dbraw/zinc/23/60/16/350236016.db2.gz IJSMRWHKZXCUFA-UHFFFAOYSA-N 2 2 280.372 0.454 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)CCC(=O)N1CCOCC1 ZINC000130365764 350236020 /nfs/dbraw/zinc/23/60/20/350236020.db2.gz IJSMRWHKZXCUFA-UHFFFAOYSA-N 2 2 280.372 0.454 20 0 CCADLP CCN1CC[NH+](CCCNC(=O)C[N@H+](CC)C2CC2)CC1 ZINC000131054156 350259558 /nfs/dbraw/zinc/25/95/58/350259558.db2.gz DIFQDWTYEMTIMH-UHFFFAOYSA-N 2 2 296.459 0.615 20 0 CCADLP CCN1CC[NH+](CCCNC(=O)C[N@@H+](CC)C2CC2)CC1 ZINC000131054156 350259562 /nfs/dbraw/zinc/25/95/62/350259562.db2.gz DIFQDWTYEMTIMH-UHFFFAOYSA-N 2 2 296.459 0.615 20 0 CCADLP CCS(=O)(=O)NCCC[NH+]1CCC([NH+](C)C)CC1 ZINC000130769354 350248784 /nfs/dbraw/zinc/24/87/84/350248784.db2.gz LXSCPHPYEHRNGB-UHFFFAOYSA-N 2 2 277.434 0.342 20 0 CCADLP COc1cc(C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)ccn1 ZINC000133987932 350350592 /nfs/dbraw/zinc/35/05/92/350350592.db2.gz GJBWWHFQRSANME-WCQYABFASA-N 2 2 265.357 0.947 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000134486708 350366233 /nfs/dbraw/zinc/36/62/33/350366233.db2.gz ZJLRHIWPEDOQGY-VXGBXAGGSA-N 2 2 250.346 0.778 20 0 CCADLP COc1c(N)[nH+]cnc1N(C)C[C@H]1CCC[N@@H+]1C ZINC000134917974 350379465 /nfs/dbraw/zinc/37/94/65/350379465.db2.gz RUFKCMWYFBZRJC-SECBINFHSA-N 2 2 251.334 0.598 20 0 CCADLP COc1c(N)[nH+]cnc1N(C)C[C@H]1CCC[N@H+]1C ZINC000134917974 350379466 /nfs/dbraw/zinc/37/94/66/350379466.db2.gz RUFKCMWYFBZRJC-SECBINFHSA-N 2 2 251.334 0.598 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000106546026 186126714 /nfs/dbraw/zinc/12/67/14/186126714.db2.gz USIFPGDAUVKEBG-KGLIPLIRSA-N 2 2 297.447 0.016 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000106546026 186126715 /nfs/dbraw/zinc/12/67/15/186126715.db2.gz USIFPGDAUVKEBG-KGLIPLIRSA-N 2 2 297.447 0.016 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000151576480 350505053 /nfs/dbraw/zinc/50/50/53/350505053.db2.gz PXOFKCSIXJGRDY-JSGCOSHPSA-N 2 2 276.384 0.902 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CCSC)CC1 ZINC000152590366 350534358 /nfs/dbraw/zinc/53/43/58/350534358.db2.gz PCCVPEDCUAGTMA-GFCCVEGCSA-N 2 2 273.446 0.834 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CCSC)CC1 ZINC000152590366 350534362 /nfs/dbraw/zinc/53/43/62/350534362.db2.gz PCCVPEDCUAGTMA-GFCCVEGCSA-N 2 2 273.446 0.834 20 0 CCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107574940 186179680 /nfs/dbraw/zinc/17/96/80/186179680.db2.gz IWENLBAHDMOBLY-BETUJISGSA-N 2 2 253.390 0.786 20 0 CCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107574940 186179682 /nfs/dbraw/zinc/17/96/82/186179682.db2.gz IWENLBAHDMOBLY-BETUJISGSA-N 2 2 253.390 0.786 20 0 CCADLP Cc1ccc(CNC(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000107576770 186179843 /nfs/dbraw/zinc/17/98/43/186179843.db2.gz YLEHONWVANMINP-OKILXGFUSA-N 2 2 291.370 0.902 20 0 CCADLP Cc1ccc(CNC(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000107576770 186179845 /nfs/dbraw/zinc/17/98/45/186179845.db2.gz YLEHONWVANMINP-OKILXGFUSA-N 2 2 291.370 0.902 20 0 CCADLP COCC[NH2+]CC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000092509550 180398293 /nfs/dbraw/zinc/39/82/93/180398293.db2.gz OTHWZYBMLLQNKQ-UHFFFAOYSA-N 2 2 290.367 0.697 20 0 CCADLP C[C@@H](C(=O)N(C)[C@@H]1CCC[N@H+](C)C1)[NH+]1CCSCC1 ZINC000152983356 350548073 /nfs/dbraw/zinc/54/80/73/350548073.db2.gz MGPZYLWHAMDNBR-QWHCGFSZSA-N 2 2 285.457 0.976 20 0 CCADLP C[C@@H](C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCSCC1 ZINC000152983356 350548075 /nfs/dbraw/zinc/54/80/75/350548075.db2.gz MGPZYLWHAMDNBR-QWHCGFSZSA-N 2 2 285.457 0.976 20 0 CCADLP CCC[C@H]1CN(C(=O)C[NH+](C)C)CC[N@@H+]1CCOC ZINC000153692743 350561091 /nfs/dbraw/zinc/56/10/91/350561091.db2.gz BROIFVMCVSNIHC-ZDUSSCGKSA-N 2 2 271.405 0.507 20 0 CCADLP CCC[C@H]1CN(C(=O)C[NH+](C)C)CC[N@H+]1CCOC ZINC000153692743 350561095 /nfs/dbraw/zinc/56/10/95/350561095.db2.gz BROIFVMCVSNIHC-ZDUSSCGKSA-N 2 2 271.405 0.507 20 0 CCADLP CC[C@@](C)(O)C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000154569395 350592549 /nfs/dbraw/zinc/59/25/49/350592549.db2.gz BSMUXPTUQOTQHR-MRXNPFEDSA-N 2 2 299.459 0.534 20 0 CCADLP CC[C@@](C)(O)C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000154569395 350592551 /nfs/dbraw/zinc/59/25/51/350592551.db2.gz BSMUXPTUQOTQHR-MRXNPFEDSA-N 2 2 299.459 0.534 20 0 CCADLP CCCC[C@@H]([NH3+])C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000154597305 350593746 /nfs/dbraw/zinc/59/37/46/350593746.db2.gz GFMNAXKMQWJZCC-BFHYXJOUSA-N 2 2 283.416 0.683 20 0 CCADLP NC(=O)NC(=O)CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109796079 186272080 /nfs/dbraw/zinc/27/20/80/186272080.db2.gz RDBXKOGMUBSAOU-UHFFFAOYSA-N 2 2 265.317 0.105 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000110041891 186283592 /nfs/dbraw/zinc/28/35/92/186283592.db2.gz FGYXJUYZFYKBOR-KBPBESRZSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000110041891 186283593 /nfs/dbraw/zinc/28/35/93/186283593.db2.gz FGYXJUYZFYKBOR-KBPBESRZSA-N 2 2 281.400 0.404 20 0 CCADLP C[C@H](CNC(=O)CCC1CC[NH2+]CC1)[NH+]1CCN(C)CC1 ZINC000156081563 350626267 /nfs/dbraw/zinc/62/62/67/350626267.db2.gz XLUOHNSXJPUVQY-CQSZACIVSA-N 2 2 296.459 0.518 20 0 CCADLP CCc1ccc(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000162507588 350745034 /nfs/dbraw/zinc/74/50/34/350745034.db2.gz PZJSFHFRJAGCPZ-HNNXBMFYSA-N 2 2 275.396 0.893 20 0 CCADLP CCc1ccc(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000162507588 350745035 /nfs/dbraw/zinc/74/50/35/350745035.db2.gz PZJSFHFRJAGCPZ-HNNXBMFYSA-N 2 2 275.396 0.893 20 0 CCADLP COCCC[N@H+](C)CC[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161585330 350724950 /nfs/dbraw/zinc/72/49/50/350724950.db2.gz UYFZMXCGCPLKGP-UHFFFAOYSA-N 2 2 285.432 0.992 20 0 CCADLP COCCC[N@@H+](C)CC[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161585330 350724952 /nfs/dbraw/zinc/72/49/52/350724952.db2.gz UYFZMXCGCPLKGP-UHFFFAOYSA-N 2 2 285.432 0.992 20 0 CCADLP C[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000167691163 350814057 /nfs/dbraw/zinc/81/40/57/350814057.db2.gz AMETUBREMBWZFR-GRYCIOLGSA-N 2 2 271.405 0.585 20 0 CCADLP CSCC[C@@H]([NH3+])C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000167694864 350814081 /nfs/dbraw/zinc/81/40/81/350814081.db2.gz DOVACTUHMMDUPM-QJPTWQEYSA-N 2 2 289.445 0.292 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000164028982 350775953 /nfs/dbraw/zinc/77/59/53/350775953.db2.gz YNXBJDTWNDCVFY-RYUDHWBXSA-N 2 2 262.419 0.741 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000164028982 350775956 /nfs/dbraw/zinc/77/59/56/350775956.db2.gz YNXBJDTWNDCVFY-RYUDHWBXSA-N 2 2 262.419 0.741 20 0 CCADLP COCC[NH2+]CC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000165265510 350788339 /nfs/dbraw/zinc/78/83/39/350788339.db2.gz WWHRHEJUNNEYBN-UHFFFAOYSA-N 2 2 280.372 0.114 20 0 CCADLP O=C(NCCCCNc1cccc[nH+]1)[C@@H]1C[NH2+]CCO1 ZINC000167229973 350807902 /nfs/dbraw/zinc/80/79/02/350807902.db2.gz WHIBFDXNQWFHFP-LBPRGKRZSA-N 2 2 278.356 0.378 20 0 CCADLP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000168326126 350824037 /nfs/dbraw/zinc/82/40/37/350824037.db2.gz YIPCHRLMGIWYSA-QWHCGFSZSA-N 2 2 292.383 0.597 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000169274271 350837634 /nfs/dbraw/zinc/83/76/34/350837634.db2.gz IHYOYPKDBUYBMN-GFCCVEGCSA-N 2 2 287.429 0.218 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CCn2cccn2)CC1 ZINC000111282083 186388213 /nfs/dbraw/zinc/38/82/13/186388213.db2.gz TUUWPGJLBXIXHI-CQSZACIVSA-N 2 2 293.415 0.368 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CCn2cccn2)CC1 ZINC000111282083 186388215 /nfs/dbraw/zinc/38/82/15/186388215.db2.gz TUUWPGJLBXIXHI-CQSZACIVSA-N 2 2 293.415 0.368 20 0 CCADLP Cc1cccn2cc(CNC(=O)[C@@H]3CSC[NH2+]3)[nH+]c12 ZINC000168496438 350827266 /nfs/dbraw/zinc/82/72/66/350827266.db2.gz VJJDRKJNCSUBLA-NSHDSACASA-N 2 2 276.365 0.921 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000172189372 350964865 /nfs/dbraw/zinc/96/48/65/350964865.db2.gz IHQAZTQTHDEGOG-ZDUSSCGKSA-N 2 2 251.374 0.801 20 0 CCADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NCC2CC2)C1 ZINC000173889698 351060187 /nfs/dbraw/zinc/06/01/87/351060187.db2.gz SRGBPFVQLBGDEV-ZDUSSCGKSA-N 2 2 253.390 0.786 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NCC2CC2)C1 ZINC000173889698 351060191 /nfs/dbraw/zinc/06/01/91/351060191.db2.gz SRGBPFVQLBGDEV-ZDUSSCGKSA-N 2 2 253.390 0.786 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCC2CC2)C1 ZINC000173889698 351060196 /nfs/dbraw/zinc/06/01/96/351060196.db2.gz SRGBPFVQLBGDEV-ZDUSSCGKSA-N 2 2 253.390 0.786 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC000173889698 351060201 /nfs/dbraw/zinc/06/02/01/351060201.db2.gz SRGBPFVQLBGDEV-ZDUSSCGKSA-N 2 2 253.390 0.786 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@](C)(C[NH3+])C2)CC1 ZINC000261682693 535157994 /nfs/dbraw/zinc/15/79/94/535157994.db2.gz HAGMPQJVFOEPPZ-MRXNPFEDSA-N 3 2 296.459 0.646 20 0 CCADLP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ncnn2C)CC1 ZINC000177133490 351194945 /nfs/dbraw/zinc/19/49/45/351194945.db2.gz QLGVVSMHSKDOGT-GFCCVEGCSA-N 2 2 281.404 0.340 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)NCC[NH+]2CCOCC2)C[N@@H+]1C1CC1 ZINC000176485007 351175888 /nfs/dbraw/zinc/17/58/88/351175888.db2.gz QETZXKQBXVOQFO-QWHCGFSZSA-N 2 2 296.415 0.243 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)NCC[NH+]2CCOCC2)C[N@H+]1C1CC1 ZINC000176485007 351175891 /nfs/dbraw/zinc/17/58/91/351175891.db2.gz QETZXKQBXVOQFO-QWHCGFSZSA-N 2 2 296.415 0.243 20 0 CCADLP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ncnn2C)CC1 ZINC000177133490 351194943 /nfs/dbraw/zinc/19/49/43/351194943.db2.gz QLGVVSMHSKDOGT-GFCCVEGCSA-N 2 2 281.404 0.340 20 0 CCADLP C[C@@H](C(=O)NC[C@@H]1C[NH+]2CCN1CC2)[NH+]1CCCCCC1 ZINC000178785863 351246589 /nfs/dbraw/zinc/24/65/89/351246589.db2.gz PKWNSSYFXDZITH-LSDHHAIUSA-N 2 2 294.443 0.367 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000178861421 351249646 /nfs/dbraw/zinc/24/96/46/351249646.db2.gz FWQYWEVDCWQMPJ-XQQFMLRXSA-N 2 2 269.389 0.149 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@@H]2CCCO2)CC1 ZINC000177149863 351196055 /nfs/dbraw/zinc/19/60/55/351196055.db2.gz IYHXBRDYBMAVCN-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(C)C ZINC000181041340 351299749 /nfs/dbraw/zinc/29/97/49/351299749.db2.gz MTTDEEHRXMLTKO-GJZGRUSLSA-N 2 2 297.443 0.944 20 0 CCADLP COC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000182280586 351355804 /nfs/dbraw/zinc/35/58/04/351355804.db2.gz DJCPCGBIDCZHQW-KBPBESRZSA-N 2 2 272.389 0.038 20 0 CCADLP COC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000182280586 351355807 /nfs/dbraw/zinc/35/58/07/351355807.db2.gz DJCPCGBIDCZHQW-KBPBESRZSA-N 2 2 272.389 0.038 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+]2CCC([C@H]3CCCO3)CC2)CC1 ZINC000189243656 351660614 /nfs/dbraw/zinc/66/06/14/351660614.db2.gz DFDHKIHIGWFDOQ-OAHLLOKOSA-N 2 2 295.427 0.651 20 0 CCADLP COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000189576056 351690838 /nfs/dbraw/zinc/69/08/38/351690838.db2.gz UUSIYDGUFOROPO-ZIAGYGMSSA-N 2 2 295.383 0.970 20 0 CCADLP COC(=O)[C@H]1[C@H](O)CCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000189576056 351690840 /nfs/dbraw/zinc/69/08/40/351690840.db2.gz UUSIYDGUFOROPO-ZIAGYGMSSA-N 2 2 295.383 0.970 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000618554648 366045044 /nfs/dbraw/zinc/04/50/44/366045044.db2.gz WUXLIQHCIIKAQL-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000618554648 366045048 /nfs/dbraw/zinc/04/50/48/366045048.db2.gz WUXLIQHCIIKAQL-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ncccn3)C2)CC1 ZINC000192013423 351780890 /nfs/dbraw/zinc/78/08/90/351780890.db2.gz GNHZQVBQKWEJPP-CQSZACIVSA-N 2 2 275.400 0.688 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ncccn3)C2)CC1 ZINC000192013423 351780894 /nfs/dbraw/zinc/78/08/94/351780894.db2.gz GNHZQVBQKWEJPP-CQSZACIVSA-N 2 2 275.400 0.688 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1C)C[NH+]1CCOCC1 ZINC000192592074 351791287 /nfs/dbraw/zinc/79/12/87/351791287.db2.gz UVFODIAFYUXQKF-HZSPNIEDSA-N 2 2 256.390 0.969 20 0 CCADLP C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000193681263 351840670 /nfs/dbraw/zinc/84/06/70/351840670.db2.gz CHRCKJBWIKJWNC-MFKMUULPSA-N 2 2 258.325 0.949 20 0 CCADLP Cn1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)c1 ZINC000124211237 187126892 /nfs/dbraw/zinc/12/68/92/187126892.db2.gz KDROHIKCGWYEIP-AWEZNQCLSA-N 2 2 251.374 0.962 20 0 CCADLP CCC[C@H](C(=O)OCC)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000212355519 351929522 /nfs/dbraw/zinc/92/95/22/351929522.db2.gz ZQWHFJIIVXAKJY-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[C@H](C(=O)OCC)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000212355519 351929525 /nfs/dbraw/zinc/92/95/25/351929525.db2.gz ZQWHFJIIVXAKJY-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP C[C@H](CNC(=O)c1csc(CC[NH3+])n1)[NH+]1CCOCC1 ZINC000194828388 351887498 /nfs/dbraw/zinc/88/74/98/351887498.db2.gz ZHGPQOWHVHFSMX-SNVBAGLBSA-N 2 2 298.412 0.095 20 0 CCADLP C[C@H]([NH3+])C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000195169068 351900965 /nfs/dbraw/zinc/90/09/65/351900965.db2.gz RYKRAYXGSBJAMD-NSHDSACASA-N 2 2 258.325 0.895 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000218878569 351963038 /nfs/dbraw/zinc/96/30/38/351963038.db2.gz LBQYANFJOPMGEO-GRYCIOLGSA-N 2 2 250.346 0.905 20 0 CCADLP O=S1(=O)CC[C@@H]([N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)C1 ZINC000220363701 351972394 /nfs/dbraw/zinc/97/23/94/351972394.db2.gz YVIPOOLNSLHFQW-DGCLKSJQSA-N 2 2 272.414 0.638 20 0 CCADLP O=S1(=O)CC[C@@H]([N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)C1 ZINC000220363701 351972397 /nfs/dbraw/zinc/97/23/97/351972397.db2.gz YVIPOOLNSLHFQW-DGCLKSJQSA-N 2 2 272.414 0.638 20 0 CCADLP CCCn1cc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)cn1 ZINC000227288064 352044402 /nfs/dbraw/zinc/04/44/02/352044402.db2.gz ABTRDIXNIWCHQW-AWEZNQCLSA-N 2 2 265.405 0.629 20 0 CCADLP CCCn1cc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cn1 ZINC000227288064 352044406 /nfs/dbraw/zinc/04/44/06/352044406.db2.gz ABTRDIXNIWCHQW-AWEZNQCLSA-N 2 2 265.405 0.629 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C)C(=O)OC ZINC000227707320 352058255 /nfs/dbraw/zinc/05/82/55/352058255.db2.gz HXQFHVQLCGHIKJ-FMSGJZPZSA-N 2 2 299.415 0.502 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C)C(=O)OC ZINC000227707320 352058258 /nfs/dbraw/zinc/05/82/58/352058258.db2.gz HXQFHVQLCGHIKJ-FMSGJZPZSA-N 2 2 299.415 0.502 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000227881426 352061985 /nfs/dbraw/zinc/06/19/85/352061985.db2.gz JJMFJVJKHGDROZ-MJBXVCDLSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000229330030 352089769 /nfs/dbraw/zinc/08/97/69/352089769.db2.gz VSKBNPLPQWKLCJ-IUCAKERBSA-N 2 2 267.295 0.724 20 0 CCADLP C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000229330030 352089771 /nfs/dbraw/zinc/08/97/71/352089771.db2.gz VSKBNPLPQWKLCJ-IUCAKERBSA-N 2 2 267.295 0.724 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000232111177 352139445 /nfs/dbraw/zinc/13/94/45/352139445.db2.gz BIHZZZNABBHJDD-GFCCVEGCSA-N 2 2 278.356 0.094 20 0 CCADLP CCCC[C@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000236803414 352217143 /nfs/dbraw/zinc/21/71/43/352217143.db2.gz RWDTYPDIIWHUCK-NEPJUHHUSA-N 2 2 257.378 0.341 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000236805283 352217217 /nfs/dbraw/zinc/21/72/17/352217217.db2.gz CQNGYOAMNCWEPH-UHFFFAOYSA-N 2 2 269.389 0.308 20 0 CCADLP [NH3+][C@@H](C(=O)NCCCC[NH+]1CCOCC1)c1ccccc1 ZINC000237815317 352284684 /nfs/dbraw/zinc/28/46/84/352284684.db2.gz YXWCMIFQCSZFEA-OAHLLOKOSA-N 2 2 291.395 0.915 20 0 CCADLP [NH3+]CC(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000237951083 352291072 /nfs/dbraw/zinc/29/10/72/352291072.db2.gz QQEPZECKHQNZLR-UHFFFAOYSA-N 2 2 297.786 0.822 20 0 CCADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC000245430925 352321702 /nfs/dbraw/zinc/32/17/02/352321702.db2.gz ALADOYVMVIZEFQ-OLZOCXBDSA-N 2 2 298.431 0.883 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC000245430925 352321706 /nfs/dbraw/zinc/32/17/06/352321706.db2.gz ALADOYVMVIZEFQ-OLZOCXBDSA-N 2 2 298.431 0.883 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC000245430925 352321711 /nfs/dbraw/zinc/32/17/11/352321711.db2.gz ALADOYVMVIZEFQ-OLZOCXBDSA-N 2 2 298.431 0.883 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC000245430925 352321714 /nfs/dbraw/zinc/32/17/14/352321714.db2.gz ALADOYVMVIZEFQ-OLZOCXBDSA-N 2 2 298.431 0.883 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CCO1 ZINC000655419017 412564222 /nfs/dbraw/zinc/56/42/22/412564222.db2.gz JKSFUNICRGEPMA-TUAOUCFPSA-N 2 2 278.356 0.020 20 0 CCADLP CC(C)[C@H]1C(=O)NCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000245688927 352333515 /nfs/dbraw/zinc/33/35/15/352333515.db2.gz VQRUIFVRPWTREL-OLZOCXBDSA-N 2 2 253.390 0.927 20 0 CCADLP CC(C)[C@H]1C(=O)NCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000245688927 352333518 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ZINC000290065926 353706005 /nfs/dbraw/zinc/70/60/05/353706005.db2.gz SYLFJVRRIGPLEB-HNNXBMFYSA-N 2 2 293.411 0.852 20 0 CCADLP C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)CCc1c[nH+]cn1C ZINC000290095977 353707652 /nfs/dbraw/zinc/70/76/52/353707652.db2.gz RQSYBOTUROPLQT-GHMZBOCLSA-N 2 2 273.402 0.716 20 0 CCADLP C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)CCc1c[nH+]cn1C ZINC000290095977 353707655 /nfs/dbraw/zinc/70/76/55/353707655.db2.gz RQSYBOTUROPLQT-GHMZBOCLSA-N 2 2 273.402 0.716 20 0 CCADLP OCC[NH2+]C1CCN(c2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000290912220 353757881 /nfs/dbraw/zinc/75/78/81/353757881.db2.gz GYZWZUCGHZHYKD-UHFFFAOYSA-N 2 2 291.399 0.849 20 0 CCADLP OCC[NH2+]C1CCN(c2cc(NCC3CC3)nc[nH+]2)CC1 ZINC000290912220 353757887 /nfs/dbraw/zinc/75/78/87/353757887.db2.gz GYZWZUCGHZHYKD-UHFFFAOYSA-N 2 2 291.399 0.849 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H](C)[N@H+]1C ZINC000294017706 353860599 /nfs/dbraw/zinc/86/05/99/353860599.db2.gz QDWVQWMTINKLAF-TXEJJXNPSA-N 2 2 264.373 0.904 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H](C)[N@@H+]1C ZINC000294017706 353860602 /nfs/dbraw/zinc/86/06/02/353860602.db2.gz QDWVQWMTINKLAF-TXEJJXNPSA-N 2 2 264.373 0.904 20 0 CCADLP CN(C(=O)c1c[nH]cn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000605660775 363267757 /nfs/dbraw/zinc/26/77/57/363267757.db2.gz ASBVFWXSAGZMCB-CYBMUJFWSA-N 2 2 291.399 0.650 20 0 CCADLP CN(C(=O)c1c[nH]cn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000605660775 363267761 /nfs/dbraw/zinc/26/77/61/363267761.db2.gz ASBVFWXSAGZMCB-CYBMUJFWSA-N 2 2 291.399 0.650 20 0 CCADLP CN(C(=O)c1cnc[nH]1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000605660775 363267764 /nfs/dbraw/zinc/26/77/64/363267764.db2.gz ASBVFWXSAGZMCB-CYBMUJFWSA-N 2 2 291.399 0.650 20 0 CCADLP CN(C(=O)c1cnc[nH]1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000605660775 363267769 /nfs/dbraw/zinc/26/77/69/363267769.db2.gz ASBVFWXSAGZMCB-CYBMUJFWSA-N 2 2 291.399 0.650 20 0 CCADLP CCC[N@H+](C)CC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000347119408 535249920 /nfs/dbraw/zinc/24/99/20/535249920.db2.gz WXSATQLGQHVCTQ-UHFFFAOYSA-N 2 2 267.377 0.444 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000347119408 535249926 /nfs/dbraw/zinc/24/99/26/535249926.db2.gz WXSATQLGQHVCTQ-UHFFFAOYSA-N 2 2 267.377 0.444 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)CN1CC[NH+](C)CC1 ZINC000606371525 363280205 /nfs/dbraw/zinc/28/02/05/363280205.db2.gz BVHLBYCLZWVKNU-CABCVRRESA-N 2 2 296.459 0.470 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)CN1CC[NH+](C)CC1 ZINC000606371525 363280211 /nfs/dbraw/zinc/28/02/11/363280211.db2.gz BVHLBYCLZWVKNU-CABCVRRESA-N 2 2 296.459 0.470 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[N@@H+]3CCCC[C@@H]3C2)nc[nH+]1 ZINC000298225915 353962120 /nfs/dbraw/zinc/96/21/20/353962120.db2.gz KJWOFZYCSWTMFW-QWHCGFSZSA-N 2 2 291.399 0.944 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[N@H+]3CCCC[C@@H]3C2)nc[nH+]1 ZINC000298225915 353962124 /nfs/dbraw/zinc/96/21/24/353962124.db2.gz KJWOFZYCSWTMFW-QWHCGFSZSA-N 2 2 291.399 0.944 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000299589244 354030288 /nfs/dbraw/zinc/03/02/88/354030288.db2.gz WCUZTEIMIXMJLY-CYBMUJFWSA-N 2 2 285.351 0.978 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000299589244 354030291 /nfs/dbraw/zinc/03/02/91/354030291.db2.gz WCUZTEIMIXMJLY-CYBMUJFWSA-N 2 2 285.351 0.978 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC[NH2+][C@H](C)C1 ZINC000300138263 354059263 /nfs/dbraw/zinc/05/92/63/354059263.db2.gz KCWQURKFAJZPIP-WOPDTQHZSA-N 2 2 250.346 0.776 20 0 CCADLP C[NH+](C)C[C@@H](O)C[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000305848686 354165257 /nfs/dbraw/zinc/16/52/57/354165257.db2.gz JARZAZBPAFMQDL-LBPRGKRZSA-N 2 2 297.365 0.915 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000305848684 354165501 /nfs/dbraw/zinc/16/55/01/354165501.db2.gz JARZAZBPAFMQDL-GFCCVEGCSA-N 2 2 297.365 0.915 20 0 CCADLP C[C@@H]1CC[N@H+](CCOCCO)C[C@@H]1n1cc[nH+]c1 ZINC000305224614 354139923 /nfs/dbraw/zinc/13/99/23/354139923.db2.gz KHGDYZJORYFRHE-OLZOCXBDSA-N 2 2 253.346 0.775 20 0 CCADLP C[C@@H]1CC[N@@H+](CCOCCO)C[C@@H]1n1cc[nH+]c1 ZINC000305224614 354139926 /nfs/dbraw/zinc/13/99/26/354139926.db2.gz KHGDYZJORYFRHE-OLZOCXBDSA-N 2 2 253.346 0.775 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)C(C)(C)COC ZINC000310966414 354194475 /nfs/dbraw/zinc/19/44/75/354194475.db2.gz OQSBSOUXUURIHP-GFCCVEGCSA-N 2 2 262.394 0.282 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)(C)COC ZINC000310966414 354194477 /nfs/dbraw/zinc/19/44/77/354194477.db2.gz OQSBSOUXUURIHP-GFCCVEGCSA-N 2 2 262.394 0.282 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)C(C)(C)COC ZINC000310966414 354194478 /nfs/dbraw/zinc/19/44/78/354194478.db2.gz OQSBSOUXUURIHP-GFCCVEGCSA-N 2 2 262.394 0.282 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)(C)COC ZINC000310966414 354194481 /nfs/dbraw/zinc/19/44/81/354194481.db2.gz OQSBSOUXUURIHP-GFCCVEGCSA-N 2 2 262.394 0.282 20 0 CCADLP C[NH+]1CCN(CCNc2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000607143050 363340024 /nfs/dbraw/zinc/34/00/24/363340024.db2.gz VKRQXGQNHWVYDG-UHFFFAOYSA-N 2 2 287.371 0.322 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000314362001 354222819 /nfs/dbraw/zinc/22/28/19/354222819.db2.gz XUGNYMZFGFHFDV-CABCVRRESA-N 2 2 294.443 0.224 20 0 CCADLP C[NH+](C)CCn1ccc(=NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)[nH]1 ZINC000330271121 354314377 /nfs/dbraw/zinc/31/43/77/354314377.db2.gz VKTDFTAZRMWNRP-ZDUSSCGKSA-N 2 2 291.399 0.432 20 0 CCADLP C[NH+](C)CCn1ccc(=NC(=O)[C@@H]2CCC[N@H+]2C2CC2)[nH]1 ZINC000330271121 354314381 /nfs/dbraw/zinc/31/43/81/354314381.db2.gz VKTDFTAZRMWNRP-ZDUSSCGKSA-N 2 2 291.399 0.432 20 0 CCADLP Cn1cc[nH+]c1N1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000331406832 354565722 /nfs/dbraw/zinc/56/57/22/354565722.db2.gz NUMIMVYEVQNSRW-UHFFFAOYSA-N 2 2 288.355 0.356 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000271755688 191308871 /nfs/dbraw/zinc/30/88/71/191308871.db2.gz GYGOJLDBOWITPQ-LLVKDONJSA-N 2 2 265.361 0.656 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000271755688 191308874 /nfs/dbraw/zinc/30/88/74/191308874.db2.gz GYGOJLDBOWITPQ-LLVKDONJSA-N 2 2 265.361 0.656 20 0 CCADLP COC(=O)CCNC(=O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000337243897 291037010 /nfs/dbraw/zinc/03/70/10/291037010.db2.gz HYELIKGBVQUHMZ-UHFFFAOYSA-N 2 2 285.388 0.083 20 0 CCADLP COC(=O)CCNC(=O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337243897 291037011 /nfs/dbraw/zinc/03/70/11/291037011.db2.gz HYELIKGBVQUHMZ-UHFFFAOYSA-N 2 2 285.388 0.083 20 0 CCADLP [NH3+]CC(F)(F)CNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000331560187 354606934 /nfs/dbraw/zinc/60/69/34/354606934.db2.gz YBHBFLHXOHYKOS-UHFFFAOYSA-N 2 2 262.304 0.070 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000333628300 354765925 /nfs/dbraw/zinc/76/59/25/354765925.db2.gz SKDMCHMOAXBQLZ-HIFRSBDPSA-N 2 2 296.415 0.102 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000333628300 354765926 /nfs/dbraw/zinc/76/59/26/354765926.db2.gz SKDMCHMOAXBQLZ-HIFRSBDPSA-N 2 2 296.415 0.102 20 0 CCADLP CCCN(C(=O)NC[C@H]1C[N@H+](C)CCO1)[C@H]1CC[NH2+]C1 ZINC000333680610 354776096 /nfs/dbraw/zinc/77/60/96/354776096.db2.gz ZPVWXSUYKRKLRL-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP CCCN(C(=O)NC[C@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH2+]C1 ZINC000333680610 354776099 /nfs/dbraw/zinc/77/60/99/354776099.db2.gz ZPVWXSUYKRKLRL-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP O=C(N[C@@H]1CCC[NH2+]C1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000333754608 354788689 /nfs/dbraw/zinc/78/86/89/354788689.db2.gz ZORMHLQBYITMDX-OLZOCXBDSA-N 2 2 277.372 0.809 20 0 CCADLP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000333816424 354799604 /nfs/dbraw/zinc/79/96/04/354799604.db2.gz GRWVRWUANPPIST-LJISPDSOSA-N 2 2 297.443 0.929 20 0 CCADLP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000333816424 354799606 /nfs/dbraw/zinc/79/96/06/354799606.db2.gz GRWVRWUANPPIST-LJISPDSOSA-N 2 2 297.443 0.929 20 0 CCADLP CC[NH+]1CCC(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC000557704044 291043151 /nfs/dbraw/zinc/04/31/51/291043151.db2.gz HMXMGZMTXMIXDS-UHFFFAOYSA-N 2 2 264.373 0.811 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[N@@H+]1C ZINC000557822040 291045372 /nfs/dbraw/zinc/04/53/72/291045372.db2.gz ZAILNZJLWDNXCG-ZDUSSCGKSA-N 2 2 264.373 0.761 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[N@H+]1C ZINC000557822040 291045373 /nfs/dbraw/zinc/04/53/73/291045373.db2.gz ZAILNZJLWDNXCG-ZDUSSCGKSA-N 2 2 264.373 0.761 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000423596989 235015212 /nfs/dbraw/zinc/01/52/12/235015212.db2.gz SYIXUPRUHKKQDT-YPMHNXCESA-N 2 2 285.351 0.995 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCc2ccsc2)[C@@H](C[NH3+])C1 ZINC000558343690 291052251 /nfs/dbraw/zinc/05/22/51/291052251.db2.gz CJBWRLMKAUTKTR-LBPRGKRZSA-N 2 2 267.398 0.782 20 0 CCADLP C[N@H+]1CCN(C(=O)CCc2ccsc2)[C@@H](C[NH3+])C1 ZINC000558343690 291052253 /nfs/dbraw/zinc/05/22/53/291052253.db2.gz CJBWRLMKAUTKTR-LBPRGKRZSA-N 2 2 267.398 0.782 20 0 CCADLP CCC[NH+]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000335936423 355052152 /nfs/dbraw/zinc/05/21/52/355052152.db2.gz SLUUNYXPBWHSBF-CYBMUJFWSA-N 2 2 276.384 1.000 20 0 CCADLP O=C(NCc1ccn2cc[nH+]c2c1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000336597284 355118118 /nfs/dbraw/zinc/11/81/18/355118118.db2.gz WREGTXMDCXWLIC-IUODEOHRSA-N 2 2 270.336 0.950 20 0 CCADLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000336107747 355093121 /nfs/dbraw/zinc/09/31/21/355093121.db2.gz WSEPATLOXXWFMK-WDNDVIMCSA-N 2 2 268.320 0.820 20 0 CCADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1cnn(C)c1 ZINC000336791768 355164860 /nfs/dbraw/zinc/16/48/60/355164860.db2.gz OYJSTTZTQMYBDM-ZWNOBZJWSA-N 2 2 252.362 0.526 20 0 CCADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1cnn(C)c1 ZINC000336791768 355164861 /nfs/dbraw/zinc/16/48/61/355164861.db2.gz OYJSTTZTQMYBDM-ZWNOBZJWSA-N 2 2 252.362 0.526 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000336654856 355130404 /nfs/dbraw/zinc/13/04/04/355130404.db2.gz GWPYESRCLPQKMU-MNOVXSKESA-N 2 2 250.408 0.597 20 0 CCADLP CC[N@H+](C)C[C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000336687660 355135125 /nfs/dbraw/zinc/13/51/25/355135125.db2.gz AXUYNWZPANZMGV-CQSZACIVSA-N 2 2 255.406 0.592 20 0 CCADLP CC[N@@H+](C)C[C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000336687660 355135127 /nfs/dbraw/zinc/13/51/27/355135127.db2.gz AXUYNWZPANZMGV-CQSZACIVSA-N 2 2 255.406 0.592 20 0 CCADLP CCOCCC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000336700834 355140038 /nfs/dbraw/zinc/14/00/38/355140038.db2.gz FWKUEYYHVYEHOC-UHFFFAOYSA-N 2 2 252.362 0.954 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+](CCO)Cc1ccccc1)C1CC1 ZINC000336725074 355150403 /nfs/dbraw/zinc/15/04/03/355150403.db2.gz XMOVIBWHGCGXDT-INIZCTEOSA-N 2 2 278.396 0.936 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+](CCO)Cc1ccccc1)C1CC1 ZINC000336725074 355150404 /nfs/dbraw/zinc/15/04/04/355150404.db2.gz XMOVIBWHGCGXDT-INIZCTEOSA-N 2 2 278.396 0.936 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+](CCO)Cc1ccccc1)C1CC1 ZINC000336725074 355150406 /nfs/dbraw/zinc/15/04/06/355150406.db2.gz XMOVIBWHGCGXDT-INIZCTEOSA-N 2 2 278.396 0.936 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+](CCO)Cc1ccccc1)C1CC1 ZINC000336725074 355150407 /nfs/dbraw/zinc/15/04/07/355150407.db2.gz XMOVIBWHGCGXDT-INIZCTEOSA-N 2 2 278.396 0.936 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@H](N2CCCC2=O)C1)C1CC1 ZINC000336839157 355210561 /nfs/dbraw/zinc/21/05/61/355210561.db2.gz OBGPBRODVUJJGE-ZIAGYGMSSA-N 2 2 281.400 0.138 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@H](N2CCCC2=O)C1)C1CC1 ZINC000336839157 355210565 /nfs/dbraw/zinc/21/05/65/355210565.db2.gz OBGPBRODVUJJGE-ZIAGYGMSSA-N 2 2 281.400 0.138 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@H](N2CCCC2=O)C1)C1CC1 ZINC000336839157 355210568 /nfs/dbraw/zinc/21/05/68/355210568.db2.gz OBGPBRODVUJJGE-ZIAGYGMSSA-N 2 2 281.400 0.138 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@H](N2CCCC2=O)C1)C1CC1 ZINC000336839157 355210571 /nfs/dbraw/zinc/21/05/71/355210571.db2.gz OBGPBRODVUJJGE-ZIAGYGMSSA-N 2 2 281.400 0.138 20 0 CCADLP Cn1cc[nH+]c1CN1CCN(c2[nH+]ccn2C)CC1 ZINC000336798949 355171996 /nfs/dbraw/zinc/17/19/96/355171996.db2.gz GXZRAVNCZAKVIW-UHFFFAOYSA-N 2 2 260.345 0.476 20 0 CCADLP CC[N@@H+](Cc1cnn(C)c1)C[C@H](O)C[NH+](C)C1CC1 ZINC000336818896 355192081 /nfs/dbraw/zinc/19/20/81/355192081.db2.gz XIKYPAHBNHAVAG-CQSZACIVSA-N 2 2 266.389 0.697 20 0 CCADLP CC[N@H+](Cc1cnn(C)c1)C[C@H](O)C[NH+](C)C1CC1 ZINC000336818896 355192082 /nfs/dbraw/zinc/19/20/82/355192082.db2.gz XIKYPAHBNHAVAG-CQSZACIVSA-N 2 2 266.389 0.697 20 0 CCADLP CC[NH+](Cc1cnn(C)c1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336818896 355192084 /nfs/dbraw/zinc/19/20/84/355192084.db2.gz XIKYPAHBNHAVAG-CQSZACIVSA-N 2 2 266.389 0.697 20 0 CCADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424460224 235208882 /nfs/dbraw/zinc/20/88/82/235208882.db2.gz AROJOCKYMIMIQR-VWYCJHECSA-N 2 2 290.358 0.610 20 0 CCADLP C[C@H]1COCCN1CC[NH+]1CCC([N@H+](C)CCO)CC1 ZINC000337125385 355270570 /nfs/dbraw/zinc/27/05/70/355270570.db2.gz DXHMHCSHSJLPQJ-AWEZNQCLSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H]1COCCN1CC[NH+]1CCC([N@@H+](C)CCO)CC1 ZINC000337125385 355270574 /nfs/dbraw/zinc/27/05/74/355270574.db2.gz DXHMHCSHSJLPQJ-AWEZNQCLSA-N 2 2 285.432 0.096 20 0 CCADLP CN(C(=O)C(C)(C)[NH+]1CCOCC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000338172380 355310646 /nfs/dbraw/zinc/31/06/46/355310646.db2.gz ADPAVSNTFBZYCS-AWEZNQCLSA-N 2 2 295.427 0.792 20 0 CCADLP CN(C(=O)C(C)(C)[NH+]1CCOCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000338172380 355310650 /nfs/dbraw/zinc/31/06/50/355310650.db2.gz ADPAVSNTFBZYCS-AWEZNQCLSA-N 2 2 295.427 0.792 20 0 CCADLP CC[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000338316608 355319249 /nfs/dbraw/zinc/31/92/49/355319249.db2.gz RBCCWRSFYPRYIG-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP CC[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000338316608 355319252 /nfs/dbraw/zinc/31/92/52/355319252.db2.gz RBCCWRSFYPRYIG-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP CN(C)C(=O)[C@@H]1CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425367119 235289058 /nfs/dbraw/zinc/28/90/58/235289058.db2.gz HHNQMOSJWZCMAL-LLVKDONJSA-N 2 2 279.388 0.396 20 0 CCADLP CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425367119 235289059 /nfs/dbraw/zinc/28/90/59/235289059.db2.gz HHNQMOSJWZCMAL-LLVKDONJSA-N 2 2 279.388 0.396 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000340518873 355566161 /nfs/dbraw/zinc/56/61/61/355566161.db2.gz YKQVEYXIFNXJQA-LXTVHRRPSA-N 2 2 279.428 0.779 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000340518873 355566162 /nfs/dbraw/zinc/56/61/62/355566162.db2.gz YKQVEYXIFNXJQA-LXTVHRRPSA-N 2 2 279.428 0.779 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCCCO)CC1 ZINC000425935482 235321957 /nfs/dbraw/zinc/32/19/57/235321957.db2.gz DJGBZPMTVLXKQI-UHFFFAOYSA-N 2 2 286.420 0.084 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CC(=O)N(C)C2)CC1 ZINC000342796556 355749020 /nfs/dbraw/zinc/74/90/20/355749020.db2.gz PVEXXQQDGDTIGK-CYBMUJFWSA-N 2 2 297.399 0.224 20 0 CCADLP C[C@@H]1C[NH+](CCN(C)C(=O)CCn2cc[nH+]c2)C[C@@H](C)O1 ZINC000345411583 355819465 /nfs/dbraw/zinc/81/94/65/355819465.db2.gz LTWGQYWOKUBDFZ-ZIAGYGMSSA-N 2 2 294.399 0.841 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)C[NH+]1CCCC1 ZINC000345511115 355841505 /nfs/dbraw/zinc/84/15/05/355841505.db2.gz UVZKFATVRBOTKJ-WDEREUQCSA-N 2 2 275.343 0.832 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC000347016100 355874940 /nfs/dbraw/zinc/87/49/40/355874940.db2.gz DECGAFVSRXWOLJ-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000351863907 356007073 /nfs/dbraw/zinc/00/70/73/356007073.db2.gz VOJBBDZRJMZEGP-IVZWLZJFSA-N 2 2 279.306 0.819 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000351863907 356007076 /nfs/dbraw/zinc/00/70/76/356007076.db2.gz VOJBBDZRJMZEGP-IVZWLZJFSA-N 2 2 279.306 0.819 20 0 CCADLP CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@@H](O)C[NH+](C)C3CC3)[C@@H]2C1 ZINC000351715263 356004211 /nfs/dbraw/zinc/00/42/11/356004211.db2.gz IHFDKVSVWLZFRL-JJXSEGSLSA-N 2 2 298.427 0.710 20 0 CCADLP CO[C@@H]1CC[C@@H]2OCC[N@@H+](C[C@@H](O)C[NH+](C)C3CC3)[C@@H]2C1 ZINC000351715263 356004212 /nfs/dbraw/zinc/00/42/12/356004212.db2.gz IHFDKVSVWLZFRL-JJXSEGSLSA-N 2 2 298.427 0.710 20 0 CCADLP CO[C@@H]1CC[C@@H]2OCC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)[C@@H]2C1 ZINC000351715263 356004213 /nfs/dbraw/zinc/00/42/13/356004213.db2.gz IHFDKVSVWLZFRL-JJXSEGSLSA-N 2 2 298.427 0.710 20 0 CCADLP CO[C@@H]1CC[C@@H]2OCC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)[C@@H]2C1 ZINC000351715263 356004214 /nfs/dbraw/zinc/00/42/14/356004214.db2.gz IHFDKVSVWLZFRL-JJXSEGSLSA-N 2 2 298.427 0.710 20 0 CCADLP C[C@H](CN1CCOCC1)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000352715845 356061164 /nfs/dbraw/zinc/06/11/64/356061164.db2.gz GOPKZVLWIUAJHP-UMVBOHGHSA-N 2 2 267.417 0.779 20 0 CCADLP C[C@H](CN1CCOCC1)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000352715845 356061166 /nfs/dbraw/zinc/06/11/66/356061166.db2.gz GOPKZVLWIUAJHP-UMVBOHGHSA-N 2 2 267.417 0.779 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000352830756 356091601 /nfs/dbraw/zinc/09/16/01/356091601.db2.gz VHHSDGSAMLVCHM-MGPQQGTHSA-N 2 2 283.416 0.506 20 0 CCADLP C[NH+]1CCC(CNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000352852207 356096475 /nfs/dbraw/zinc/09/64/75/356096475.db2.gz ZXRWZOSNSTYNBI-UHFFFAOYSA-N 2 2 250.346 0.800 20 0 CCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H]([NH3+])CC(C)C)CC1 ZINC000353201364 356176627 /nfs/dbraw/zinc/17/66/27/356176627.db2.gz GCWFEJQZOIDRDH-OLZOCXBDSA-N 2 2 299.415 0.456 20 0 CCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H]([NH3+])CC(C)C)CC1 ZINC000353201366 356177167 /nfs/dbraw/zinc/17/71/67/356177167.db2.gz GCWFEJQZOIDRDH-STQMWFEESA-N 2 2 299.415 0.456 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000353445699 356224159 /nfs/dbraw/zinc/22/41/59/356224159.db2.gz JEBFIKMBJMRTMS-XQQFMLRXSA-N 2 2 269.389 0.211 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000353445699 356224164 /nfs/dbraw/zinc/22/41/64/356224164.db2.gz JEBFIKMBJMRTMS-XQQFMLRXSA-N 2 2 269.389 0.211 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000353452786 356225001 /nfs/dbraw/zinc/22/50/01/356225001.db2.gz QYXNZFYQYIPKRW-MJBXVCDLSA-N 2 2 283.416 0.457 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000353452786 356225005 /nfs/dbraw/zinc/22/50/05/356225005.db2.gz QYXNZFYQYIPKRW-MJBXVCDLSA-N 2 2 283.416 0.457 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000353474818 356232335 /nfs/dbraw/zinc/23/23/35/356232335.db2.gz WNHWCFLOPSZGID-WOPDTQHZSA-N 2 2 250.346 0.776 20 0 CCADLP CC[C@H](Cn1cncn1)[NH2+][C@H](C)CC[NH+]1CCOCC1 ZINC000353275455 356192610 /nfs/dbraw/zinc/19/26/10/356192610.db2.gz JUPHPGOLGIUMNX-ZIAGYGMSSA-N 2 2 281.404 0.757 20 0 CCADLP C[C@@H]1[C@H](Nc2cc[nH+]c(N3CCOCC3)n2)CCC[N@@H+]1C ZINC000353284386 356194693 /nfs/dbraw/zinc/19/46/93/356194693.db2.gz YXAHJLVINJKDPB-CHWSQXEVSA-N 2 2 291.399 0.630 20 0 CCADLP C[C@@H]1[C@H](Nc2cc[nH+]c(N3CCOCC3)n2)CCC[N@H+]1C ZINC000353284386 356194694 /nfs/dbraw/zinc/19/46/94/356194694.db2.gz YXAHJLVINJKDPB-CHWSQXEVSA-N 2 2 291.399 0.630 20 0 CCADLP O=C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)NCc1cccnc1 ZINC000360559611 138000358 /nfs/dbraw/zinc/00/03/58/138000358.db2.gz CFLNXTFRBLYOTO-OAHLLOKOSA-N 2 2 274.368 0.383 20 0 CCADLP O=C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)NCc1cccnc1 ZINC000360559611 138000359 /nfs/dbraw/zinc/00/03/59/138000359.db2.gz CFLNXTFRBLYOTO-OAHLLOKOSA-N 2 2 274.368 0.383 20 0 CCADLP Cc1nc(C[N@@H+]2CCCN(C(=O)C3([NH3+])CC3)CC2)cs1 ZINC000353591509 356255320 /nfs/dbraw/zinc/25/53/20/356255320.db2.gz QFEZAQKPAXTSFA-UHFFFAOYSA-N 2 2 294.424 0.977 20 0 CCADLP Cc1nc(C[N@H+]2CCCN(C(=O)C3([NH3+])CC3)CC2)cs1 ZINC000353591509 356255325 /nfs/dbraw/zinc/25/53/25/356255325.db2.gz QFEZAQKPAXTSFA-UHFFFAOYSA-N 2 2 294.424 0.977 20 0 CCADLP Cc1ccc(CCC[N@H+](CCO)CCCO)c[nH+]1 ZINC000353626756 356261008 /nfs/dbraw/zinc/26/10/08/356261008.db2.gz QXKDRVFTHNYMIY-UHFFFAOYSA-N 2 2 252.358 0.999 20 0 CCADLP Cc1ccc(CCC[N@@H+](CCO)CCCO)c[nH+]1 ZINC000353626756 356261012 /nfs/dbraw/zinc/26/10/12/356261012.db2.gz QXKDRVFTHNYMIY-UHFFFAOYSA-N 2 2 252.358 0.999 20 0 CCADLP CC[C@@H](OC)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000360897777 138015675 /nfs/dbraw/zinc/01/56/75/138015675.db2.gz OSXANFVHKXXHQR-CYBMUJFWSA-N 2 2 271.405 0.554 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2C=C[C@@H](CO)C2)CC1 ZINC000360983489 138017558 /nfs/dbraw/zinc/01/75/58/138017558.db2.gz AVHXMRUSAVEJDN-UKRRQHHQSA-N 2 2 296.411 0.931 20 0 CCADLP c1c[nH+]c(CN2CC[NH+](CC3=CCCOC3)CC2)[nH]1 ZINC000353915214 356315034 /nfs/dbraw/zinc/31/50/34/356315034.db2.gz MBDSIPBXBBQUAA-UHFFFAOYSA-N 2 2 262.357 0.874 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(F)(F)[C@@H](CO)C1)C1CC1 ZINC000361407991 138035961 /nfs/dbraw/zinc/03/59/61/138035961.db2.gz JJJDPAHTPJTCNZ-ZYHUDNBSSA-N 2 2 278.343 0.391 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(F)(F)[C@@H](CO)C1)C1CC1 ZINC000361407991 138035962 /nfs/dbraw/zinc/03/59/62/138035962.db2.gz JJJDPAHTPJTCNZ-ZYHUDNBSSA-N 2 2 278.343 0.391 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC(F)(F)[C@@H](CO)C1)C1CC1 ZINC000361407991 138035963 /nfs/dbraw/zinc/03/59/63/138035963.db2.gz JJJDPAHTPJTCNZ-ZYHUDNBSSA-N 2 2 278.343 0.391 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCC(F)(F)[C@@H](CO)C1)C1CC1 ZINC000361407991 138035964 /nfs/dbraw/zinc/03/59/64/138035964.db2.gz JJJDPAHTPJTCNZ-ZYHUDNBSSA-N 2 2 278.343 0.391 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000362912391 138080207 /nfs/dbraw/zinc/08/02/07/138080207.db2.gz YTUZFJVSMVJMGS-CYBMUJFWSA-N 2 2 262.357 0.970 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000362912391 138080208 /nfs/dbraw/zinc/08/02/08/138080208.db2.gz YTUZFJVSMVJMGS-CYBMUJFWSA-N 2 2 262.357 0.970 20 0 CCADLP O=C(NCc1ccn2cc[nH+]c2c1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000362705065 138070661 /nfs/dbraw/zinc/07/06/61/138070661.db2.gz KZXKRFXNSWIEOG-CQSZACIVSA-N 2 2 299.378 0.340 20 0 CCADLP O=C(NCc1ccn2cc[nH+]c2c1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000362705065 138070662 /nfs/dbraw/zinc/07/06/62/138070662.db2.gz KZXKRFXNSWIEOG-CQSZACIVSA-N 2 2 299.378 0.340 20 0 CCADLP C[C@H]1CC[C@H](C[N@H+](C)C2CC[NH+](CCO)CC2)O1 ZINC000354890643 356522491 /nfs/dbraw/zinc/52/24/91/356522491.db2.gz JPVZYEOXPHPUEY-GXTWGEPZSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@H]1CC[C@H](C[N@@H+](C)C2CC[NH+](CCO)CC2)O1 ZINC000354890643 356522497 /nfs/dbraw/zinc/52/24/97/356522497.db2.gz JPVZYEOXPHPUEY-GXTWGEPZSA-N 2 2 256.390 0.942 20 0 CCADLP CC[NH+](CC)CC(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000354892124 356523277 /nfs/dbraw/zinc/52/32/77/356523277.db2.gz VMWRNVMDHWMPNW-ZDUSSCGKSA-N 2 2 299.415 0.329 20 0 CCADLP CC[NH+](CC)CC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000354892124 356523279 /nfs/dbraw/zinc/52/32/79/356523279.db2.gz VMWRNVMDHWMPNW-ZDUSSCGKSA-N 2 2 299.415 0.329 20 0 CCADLP C[C@H](C(=O)N1CC[C@@H](C[NH+](C)C)C1)[NH+]1CCOCC1 ZINC000354948947 356535020 /nfs/dbraw/zinc/53/50/20/356535020.db2.gz BREJVRZXTPZJRG-OLZOCXBDSA-N 2 2 269.389 0.117 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157362 363474852 /nfs/dbraw/zinc/47/48/52/363474852.db2.gz FZVLSIYCIKXYDC-VHSXEESVSA-N 2 2 265.317 0.103 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157362 363474858 /nfs/dbraw/zinc/47/48/58/363474858.db2.gz FZVLSIYCIKXYDC-VHSXEESVSA-N 2 2 265.317 0.103 20 0 CCADLP Cc1nc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)no1 ZINC000328801579 202063567 /nfs/dbraw/zinc/06/35/67/202063567.db2.gz AHACGJYHPMBOKT-UHFFFAOYSA-N 2 2 295.387 0.476 20 0 CCADLP Cc1nc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)no1 ZINC000328801579 202063570 /nfs/dbraw/zinc/06/35/70/202063570.db2.gz AHACGJYHPMBOKT-UHFFFAOYSA-N 2 2 295.387 0.476 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000355923993 356670906 /nfs/dbraw/zinc/67/09/06/356670906.db2.gz XXEWVTFTHWVDFC-STQMWFEESA-N 2 2 292.383 0.286 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1CCC[NH+]1C ZINC000356199030 356721312 /nfs/dbraw/zinc/72/13/12/356721312.db2.gz DDPICYIWKNKNIF-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1CCC[NH+]1C ZINC000356199030 356721315 /nfs/dbraw/zinc/72/13/15/356721315.db2.gz DDPICYIWKNKNIF-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000356199030 356721320 /nfs/dbraw/zinc/72/13/20/356721320.db2.gz DDPICYIWKNKNIF-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000356199030 356721321 /nfs/dbraw/zinc/72/13/21/356721321.db2.gz DDPICYIWKNKNIF-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP CN(Cc1ccc(F)cc1)C(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359294284 356796010 /nfs/dbraw/zinc/79/60/10/356796010.db2.gz BOEZYVJOUNPJRP-KBPBESRZSA-N 2 2 291.370 0.935 20 0 CCADLP C[C@H](C(=O)NCc1cccs1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359307258 356799331 /nfs/dbraw/zinc/79/93/31/356799331.db2.gz NEHANYMNCSMZMN-IJLUTSLNSA-N 2 2 279.409 0.904 20 0 CCADLP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000358738664 356783065 /nfs/dbraw/zinc/78/30/65/356783065.db2.gz AYBUNTVWGGOHIP-TZMCWYRMSA-N 2 2 277.416 0.633 20 0 CCADLP CO[C@@H]1CC[N@H+](CCC(=O)NC2CCCC2)[C@H](C[NH3+])C1 ZINC000359038694 356786618 /nfs/dbraw/zinc/78/66/18/356786618.db2.gz GGKCUKAMRNPTOW-UONOGXRCSA-N 2 2 283.416 0.873 20 0 CCADLP CO[C@@H]1CC[N@@H+](CCC(=O)NC2CCCC2)[C@H](C[NH3+])C1 ZINC000359038694 356786621 /nfs/dbraw/zinc/78/66/21/356786621.db2.gz GGKCUKAMRNPTOW-UONOGXRCSA-N 2 2 283.416 0.873 20 0 CCADLP O=C1NCCCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655687590 412644983 /nfs/dbraw/zinc/64/49/83/412644983.db2.gz REGKOWCBXAJSIN-KBPBESRZSA-N 2 2 281.400 0.498 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N2CC[N@H+](C)CC2(C)C)no1 ZINC000359568717 356846887 /nfs/dbraw/zinc/84/68/87/356846887.db2.gz XLHVGMDENOHGJJ-UHFFFAOYSA-N 2 2 280.372 0.902 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N2CC[N@@H+](C)CC2(C)C)no1 ZINC000359568717 356846891 /nfs/dbraw/zinc/84/68/91/356846891.db2.gz XLHVGMDENOHGJJ-UHFFFAOYSA-N 2 2 280.372 0.902 20 0 CCADLP CCNC(=O)[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655683646 412645808 /nfs/dbraw/zinc/64/58/08/412645808.db2.gz TWJOYAZXDUGWLY-JSGCOSHPSA-N 2 2 283.416 0.744 20 0 CCADLP O=C(NCC[NH+]1CCCC1)C1([NH+]2CCOCC2)CCC1 ZINC000359930591 356920332 /nfs/dbraw/zinc/92/03/32/356920332.db2.gz SDSLTXKEVVSONA-UHFFFAOYSA-N 2 2 281.400 0.453 20 0 CCADLP CCOCCCNC(=O)[C@@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000359951667 356926074 /nfs/dbraw/zinc/92/60/74/356926074.db2.gz CDLPAUNYVKPICB-CYBMUJFWSA-N 2 2 285.432 0.992 20 0 CCADLP Cn1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cn1 ZINC000655698569 412647632 /nfs/dbraw/zinc/64/76/32/412647632.db2.gz LRDDNGHFROVDDR-AWEZNQCLSA-N 2 2 264.373 0.763 20 0 CCADLP O[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(F)(F)F ZINC000655698882 412646864 /nfs/dbraw/zinc/64/68/64/412646864.db2.gz YSVOPEHVPGGTIM-QWRGUYRKSA-N 2 2 282.306 0.753 20 0 CCADLP CN(C)c1ccc(CNC(=O)NCC[NH+]2CCC2)c[nH+]1 ZINC000532786607 358513712 /nfs/dbraw/zinc/51/37/12/358513712.db2.gz CDHVQTYMZRDPKP-UHFFFAOYSA-N 2 2 277.372 0.653 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360533670 357036194 /nfs/dbraw/zinc/03/61/94/357036194.db2.gz AZVLCSXKGRTRLG-QMTHXVAHSA-N 2 2 280.372 0.049 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360533670 357036198 /nfs/dbraw/zinc/03/61/98/357036198.db2.gz AZVLCSXKGRTRLG-QMTHXVAHSA-N 2 2 280.372 0.049 20 0 CCADLP COCC[C@H](C)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362835971 357057063 /nfs/dbraw/zinc/05/70/63/357057063.db2.gz CETANDNHSUNEFZ-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP COCC[C@H](C)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362835971 357057066 /nfs/dbraw/zinc/05/70/66/357057066.db2.gz CETANDNHSUNEFZ-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H]1CCOCC[NH+]1C[C@@H](O)C[N@H+]1CCOCC[C@@H]1C ZINC000365706437 357165747 /nfs/dbraw/zinc/16/57/47/357165747.db2.gz QSHWQVDWDLEFRO-QDMKHBRRSA-N 2 2 286.416 0.569 20 0 CCADLP C[C@@H]1CCOCC[NH+]1C[C@@H](O)C[N@@H+]1CCOCC[C@@H]1C ZINC000365706437 357165748 /nfs/dbraw/zinc/16/57/48/357165748.db2.gz QSHWQVDWDLEFRO-QDMKHBRRSA-N 2 2 286.416 0.569 20 0 CCADLP C[C@@H]1CCOCC[N@@H+]1C[C@@H](O)C[NH+]1CCOCC[C@@H]1C ZINC000365706437 357165750 /nfs/dbraw/zinc/16/57/50/357165750.db2.gz QSHWQVDWDLEFRO-QDMKHBRRSA-N 2 2 286.416 0.569 20 0 CCADLP COCC1(C(=O)Nc2ccc(N)[nH+]c2)CC[NH2+]CC1 ZINC000366445972 357209512 /nfs/dbraw/zinc/20/95/12/357209512.db2.gz JHNDDRCZFGWHPA-UHFFFAOYSA-N 2 2 264.329 0.449 20 0 CCADLP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366535246 357222180 /nfs/dbraw/zinc/22/21/80/357222180.db2.gz NUTIMFIBEBOLNR-JSGCOSHPSA-N 2 2 253.390 0.929 20 0 CCADLP CC[C@H](C)NC(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366535246 357222184 /nfs/dbraw/zinc/22/21/84/357222184.db2.gz NUTIMFIBEBOLNR-JSGCOSHPSA-N 2 2 253.390 0.929 20 0 CCADLP CC[C@H](C)NC(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366535246 357222190 /nfs/dbraw/zinc/22/21/90/357222190.db2.gz NUTIMFIBEBOLNR-JSGCOSHPSA-N 2 2 253.390 0.929 20 0 CCADLP CC[C@H](C)NC(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366535246 357222194 /nfs/dbraw/zinc/22/21/94/357222194.db2.gz NUTIMFIBEBOLNR-JSGCOSHPSA-N 2 2 253.390 0.929 20 0 CCADLP CC(C)(C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000366991758 357263746 /nfs/dbraw/zinc/26/37/46/357263746.db2.gz ZRLRBVQMAJUMLR-UONOGXRCSA-N 2 2 295.427 0.840 20 0 CCADLP CC(C)(C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000366991758 357263751 /nfs/dbraw/zinc/26/37/51/357263751.db2.gz ZRLRBVQMAJUMLR-UONOGXRCSA-N 2 2 295.427 0.840 20 0 CCADLP O=C(NCC[N@H+]1CC=CCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000377280001 357561415 /nfs/dbraw/zinc/56/14/15/357561415.db2.gz XPXCREATSGVADX-CYBMUJFWSA-N 2 2 274.368 0.824 20 0 CCADLP O=C(NCC[N@@H+]1CC=CCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000377280001 357561419 /nfs/dbraw/zinc/56/14/19/357561419.db2.gz XPXCREATSGVADX-CYBMUJFWSA-N 2 2 274.368 0.824 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000377878270 357627678 /nfs/dbraw/zinc/62/76/78/357627678.db2.gz HYFAYTFRTPPYKP-CQSZACIVSA-N 2 2 271.380 0.973 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000377878270 357627683 /nfs/dbraw/zinc/62/76/83/357627683.db2.gz HYFAYTFRTPPYKP-CQSZACIVSA-N 2 2 271.380 0.973 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1C)[NH+]1CCOCC1 ZINC000449345569 236029079 /nfs/dbraw/zinc/02/90/79/236029079.db2.gz IOPLKGCVLAILEM-YVECIDJPSA-N 2 2 269.389 0.067 20 0 CCADLP C[C@@H]1CSC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000449119606 236018052 /nfs/dbraw/zinc/01/80/52/236018052.db2.gz AGFMUHQLFWOWNM-WOPDTQHZSA-N 2 2 271.430 0.667 20 0 CCADLP C[C@@H]1CSC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000449119606 236018053 /nfs/dbraw/zinc/01/80/53/236018053.db2.gz AGFMUHQLFWOWNM-WOPDTQHZSA-N 2 2 271.430 0.667 20 0 CCADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]CC[C@@H]1CCOC1 ZINC000449397966 236032743 /nfs/dbraw/zinc/03/27/43/236032743.db2.gz WRDDFFMDYLJETJ-ZIAGYGMSSA-N 2 2 256.390 0.849 20 0 CCADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]CC[C@@H]1CCOC1 ZINC000449397966 236032745 /nfs/dbraw/zinc/03/27/45/236032745.db2.gz WRDDFFMDYLJETJ-ZIAGYGMSSA-N 2 2 256.390 0.849 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(SC)CC1 ZINC000385887719 357728432 /nfs/dbraw/zinc/72/84/32/357728432.db2.gz CVJZWAAQKSFXEO-LBPRGKRZSA-N 2 2 276.446 0.753 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(SC)CC1 ZINC000385887719 357728434 /nfs/dbraw/zinc/72/84/34/357728434.db2.gz CVJZWAAQKSFXEO-LBPRGKRZSA-N 2 2 276.446 0.753 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CCS(=O)(=O)N(C)C ZINC000384013735 357719817 /nfs/dbraw/zinc/71/98/17/357719817.db2.gz QEVGWKPLHZHRSV-LLVKDONJSA-N 2 2 265.423 0.183 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCS(=O)(=O)N(C)C ZINC000384013735 357719821 /nfs/dbraw/zinc/71/98/21/357719821.db2.gz QEVGWKPLHZHRSV-LLVKDONJSA-N 2 2 265.423 0.183 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[N@H+](C)C1CC([NH3+])C1)C(=O)OC ZINC000384709629 357721826 /nfs/dbraw/zinc/72/18/26/357721826.db2.gz DCSBDLKLAOGUIX-YUVKLTJASA-N 2 2 285.388 0.112 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+](C)C1CC([NH3+])C1)C(=O)OC ZINC000384709629 357721829 /nfs/dbraw/zinc/72/18/29/357721829.db2.gz DCSBDLKLAOGUIX-YUVKLTJASA-N 2 2 285.388 0.112 20 0 CCADLP Cc1nc(NC[C@@H](C)[N@H+](C)Cc2ccccc2)nc(N)[nH+]1 ZINC000390713939 357742446 /nfs/dbraw/zinc/74/24/46/357742446.db2.gz ADYKXJOSQLUSET-LLVKDONJSA-N 2 2 286.383 0.947 20 0 CCADLP Cc1nc(NC[C@@H](C)[N@@H+](C)Cc2ccccc2)nc(N)[nH+]1 ZINC000390713939 357742452 /nfs/dbraw/zinc/74/24/52/357742452.db2.gz ADYKXJOSQLUSET-LLVKDONJSA-N 2 2 286.383 0.947 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)C[S@](C)=O ZINC000398843460 357778752 /nfs/dbraw/zinc/77/87/52/357778752.db2.gz KNOIBODECFXAGU-PEBVRCNWSA-N 2 2 264.435 0.386 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)C[S@](C)=O ZINC000398843460 357778757 /nfs/dbraw/zinc/77/87/57/357778757.db2.gz KNOIBODECFXAGU-PEBVRCNWSA-N 2 2 264.435 0.386 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)C[S@](C)=O ZINC000398843460 357778762 /nfs/dbraw/zinc/77/87/62/357778762.db2.gz KNOIBODECFXAGU-PEBVRCNWSA-N 2 2 264.435 0.386 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000398843460 357778767 /nfs/dbraw/zinc/77/87/67/357778767.db2.gz KNOIBODECFXAGU-PEBVRCNWSA-N 2 2 264.435 0.386 20 0 CCADLP CN(CCC[N@H+](C)Cc1cnns1)CC[NH+](C)C ZINC000451036550 236130153 /nfs/dbraw/zinc/13/01/53/236130153.db2.gz FZCRACGWIJODEW-UHFFFAOYSA-N 2 2 271.434 0.853 20 0 CCADLP CN(CCC[N@@H+](C)Cc1cnns1)CC[NH+](C)C ZINC000451036550 236130154 /nfs/dbraw/zinc/13/01/54/236130154.db2.gz FZCRACGWIJODEW-UHFFFAOYSA-N 2 2 271.434 0.853 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000408003715 357862542 /nfs/dbraw/zinc/86/25/42/357862542.db2.gz JEXQWAZVYDCOLP-UHFFFAOYSA-N 2 2 291.399 0.363 20 0 CCADLP Cc1nc(C)c(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])s1 ZINC000561180747 291119532 /nfs/dbraw/zinc/11/95/32/291119532.db2.gz AXLPUFNDBVFBKD-LLVKDONJSA-N 2 2 297.428 0.544 20 0 CCADLP Cc1nc(C)c(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])s1 ZINC000561180747 291119535 /nfs/dbraw/zinc/11/95/35/291119535.db2.gz AXLPUFNDBVFBKD-LLVKDONJSA-N 2 2 297.428 0.544 20 0 CCADLP CCC[NH+]1CCC([N@H+](C)CCS(=O)(=O)N(C)C)CC1 ZINC000336811572 283318343 /nfs/dbraw/zinc/31/83/43/283318343.db2.gz NOOFWTBCHXELOY-UHFFFAOYSA-N 2 2 291.461 0.684 20 0 CCADLP CCC[NH+]1CCC([N@@H+](C)CCS(=O)(=O)N(C)C)CC1 ZINC000336811572 283318346 /nfs/dbraw/zinc/31/83/46/283318346.db2.gz NOOFWTBCHXELOY-UHFFFAOYSA-N 2 2 291.461 0.684 20 0 CCADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)C(C)(C)n1cncn1 ZINC000453297637 236274894 /nfs/dbraw/zinc/27/48/94/236274894.db2.gz UULLVZAYPMDHNQ-UONOGXRCSA-N 2 2 295.431 0.838 20 0 CCADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)C(C)(C)n1cncn1 ZINC000453297637 236274896 /nfs/dbraw/zinc/27/48/96/236274896.db2.gz UULLVZAYPMDHNQ-UONOGXRCSA-N 2 2 295.431 0.838 20 0 CCADLP C[C@H](C[NH2+]C1CCC2(CC1)NC(=O)NC2=O)[N@H+](C)C1CC1 ZINC000561476145 291130483 /nfs/dbraw/zinc/13/04/83/291130483.db2.gz MMDQYCMBERBJKK-RWWNRMGGSA-N 2 2 294.399 0.580 20 0 CCADLP C[C@H](C[NH2+]C1CCC2(CC1)NC(=O)NC2=O)[N@@H+](C)C1CC1 ZINC000561476145 291130486 /nfs/dbraw/zinc/13/04/86/291130486.db2.gz MMDQYCMBERBJKK-RWWNRMGGSA-N 2 2 294.399 0.580 20 0 CCADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000417410663 358132436 /nfs/dbraw/zinc/13/24/36/358132436.db2.gz BZTAUTPSVLMNES-RYUDHWBXSA-N 2 2 284.404 0.228 20 0 CCADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000417410663 358132441 /nfs/dbraw/zinc/13/24/41/358132441.db2.gz BZTAUTPSVLMNES-RYUDHWBXSA-N 2 2 284.404 0.228 20 0 CCADLP C[NH2+]CCCNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000417517977 358133621 /nfs/dbraw/zinc/13/36/21/358133621.db2.gz JZSZQQHKQGDXGL-NWDGAFQWSA-N 2 2 272.393 0.004 20 0 CCADLP C[NH2+]C[C@@H]1CCCN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000417528790 358134100 /nfs/dbraw/zinc/13/41/00/358134100.db2.gz PXHNLUODADMRLT-KBPBESRZSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH2+]C[C@@H]1CCCN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC000417528790 358134107 /nfs/dbraw/zinc/13/41/07/358134107.db2.gz PXHNLUODADMRLT-KBPBESRZSA-N 2 2 298.431 0.348 20 0 CCADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420350887 358179651 /nfs/dbraw/zinc/17/96/51/358179651.db2.gz IISYMLKCXNKSBZ-JQWIXIFHSA-N 2 2 283.347 0.713 20 0 CCADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420350887 358179656 /nfs/dbraw/zinc/17/96/56/358179656.db2.gz IISYMLKCXNKSBZ-JQWIXIFHSA-N 2 2 283.347 0.713 20 0 CCADLP C[C@@H](C(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1)[C@H](C)[NH3+] ZINC000423862714 358207450 /nfs/dbraw/zinc/20/74/50/358207450.db2.gz GNUIERFBNZNEFU-DYEKYZERSA-N 2 2 283.416 0.539 20 0 CCADLP C[C@@H](C(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1)[C@H](C)[NH3+] ZINC000423862714 358207452 /nfs/dbraw/zinc/20/74/52/358207452.db2.gz GNUIERFBNZNEFU-DYEKYZERSA-N 2 2 283.416 0.539 20 0 CCADLP CCSCCCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000514590751 358335562 /nfs/dbraw/zinc/33/55/62/358335562.db2.gz DHDBFADLTRTXPC-NSHDSACASA-N 2 2 274.434 0.414 20 0 CCADLP CCSCCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000514590751 358335567 /nfs/dbraw/zinc/33/55/67/358335567.db2.gz DHDBFADLTRTXPC-NSHDSACASA-N 2 2 274.434 0.414 20 0 CCADLP CC(=O)NCC(=O)N1CCC[N@@H+](C[C@@H]([NH3+])CC(C)C)CC1 ZINC000530243337 358385122 /nfs/dbraw/zinc/38/51/22/358385122.db2.gz HNYVYJJCGWTIDF-AWEZNQCLSA-N 2 2 298.431 0.030 20 0 CCADLP CC(=O)NCC(=O)N1CCC[N@H+](C[C@@H]([NH3+])CC(C)C)CC1 ZINC000530243337 358385125 /nfs/dbraw/zinc/38/51/25/358385125.db2.gz HNYVYJJCGWTIDF-AWEZNQCLSA-N 2 2 298.431 0.030 20 0 CCADLP CCOC(=O)CC[C@@H](O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000567690835 358572473 /nfs/dbraw/zinc/57/24/73/358572473.db2.gz KFDZSBKGLHTWMF-GFCCVEGCSA-N 2 2 298.387 0.280 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567889739 358607488 /nfs/dbraw/zinc/60/74/88/358607488.db2.gz PLLQBSNCIATDGW-ZFWWWQNUSA-N 2 2 283.416 0.603 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567889739 358607494 /nfs/dbraw/zinc/60/74/94/358607494.db2.gz PLLQBSNCIATDGW-ZFWWWQNUSA-N 2 2 283.416 0.603 20 0 CCADLP COC[C@@]1(C(=O)NC[C@H](C)Cn2cc[nH+]c2)CC[NH2+]C1 ZINC000567972611 358619475 /nfs/dbraw/zinc/61/94/75/358619475.db2.gz AHBKXINFRVPGDI-GXTWGEPZSA-N 2 2 280.372 0.262 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000568166931 358639963 /nfs/dbraw/zinc/63/99/63/358639963.db2.gz XKIPUGSWHWMPNA-AWEZNQCLSA-N 2 2 264.373 0.369 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000568166931 358639965 /nfs/dbraw/zinc/63/99/65/358639965.db2.gz XKIPUGSWHWMPNA-AWEZNQCLSA-N 2 2 264.373 0.369 20 0 CCADLP C[N@@H+]1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C[NH3+])C1 ZINC000567830159 358596368 /nfs/dbraw/zinc/59/63/68/358596368.db2.gz VLBNHQZBSYWJOW-WTUNAVPPSA-N 3 2 280.416 0.008 20 0 CCADLP C[N@H+]1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C[NH3+])C1 ZINC000567830159 358596372 /nfs/dbraw/zinc/59/63/72/358596372.db2.gz VLBNHQZBSYWJOW-WTUNAVPPSA-N 3 2 280.416 0.008 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000568227133 358653252 /nfs/dbraw/zinc/65/32/52/358653252.db2.gz SBSLCVUENICDCK-FRRDWIJNSA-N 2 2 294.399 0.502 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000568227133 358653255 /nfs/dbraw/zinc/65/32/55/358653255.db2.gz SBSLCVUENICDCK-FRRDWIJNSA-N 2 2 294.399 0.502 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000568227133 358653257 /nfs/dbraw/zinc/65/32/57/358653257.db2.gz SBSLCVUENICDCK-FRRDWIJNSA-N 2 2 294.399 0.502 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000568227133 358653261 /nfs/dbraw/zinc/65/32/61/358653261.db2.gz SBSLCVUENICDCK-FRRDWIJNSA-N 2 2 294.399 0.502 20 0 CCADLP COc1cc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)ccn1 ZINC000568236912 358655058 /nfs/dbraw/zinc/65/50/58/358655058.db2.gz YORPKLBVRFPQLW-FZMZJTMJSA-N 2 2 265.357 0.807 20 0 CCADLP CC(C)(C)n1cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cn1 ZINC000568259657 358658696 /nfs/dbraw/zinc/65/86/96/358658696.db2.gz IPNFXZLDAWGUMK-OLZOCXBDSA-N 2 2 291.399 0.382 20 0 CCADLP CC(C)(C)n1cc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cn1 ZINC000568259657 358658699 /nfs/dbraw/zinc/65/86/99/358658699.db2.gz IPNFXZLDAWGUMK-OLZOCXBDSA-N 2 2 291.399 0.382 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3cc(F)cc(F)c3)CCN2C1=O ZINC000568260691 358658739 /nfs/dbraw/zinc/65/87/39/358658739.db2.gz YIRPAHMIILNVTG-STQMWFEESA-N 2 2 281.306 0.709 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3cc(F)cc(F)c3)CCN2C1=O ZINC000568260691 358658741 /nfs/dbraw/zinc/65/87/41/358658741.db2.gz YIRPAHMIILNVTG-STQMWFEESA-N 2 2 281.306 0.709 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000568491052 358678227 /nfs/dbraw/zinc/67/82/27/358678227.db2.gz ZJPVMNMDEZLJEO-LBPRGKRZSA-N 2 2 279.388 0.998 20 0 CCADLP Cc1noc([C@@H](C)[N@H+](C)CCC(=O)N2CC[NH2+]CC2)n1 ZINC000569378192 358759979 /nfs/dbraw/zinc/75/99/79/358759979.db2.gz JRXVKMASSNZXIN-SNVBAGLBSA-N 2 2 281.360 0.193 20 0 CCADLP Cc1noc([C@@H](C)[N@@H+](C)CCC(=O)N2CC[NH2+]CC2)n1 ZINC000569378192 358759984 /nfs/dbraw/zinc/75/99/84/358759984.db2.gz JRXVKMASSNZXIN-SNVBAGLBSA-N 2 2 281.360 0.193 20 0 CCADLP Cc1c[nH+]c(C)nc1N1CCO[C@H](C[NH+](C)C)C1 ZINC000569019845 358727568 /nfs/dbraw/zinc/72/75/68/358727568.db2.gz PLGLPQXNGVZSBT-GFCCVEGCSA-N 2 2 250.346 0.860 20 0 CCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000569707759 358786303 /nfs/dbraw/zinc/78/63/03/358786303.db2.gz LBBGNMCEZLFIOY-UONOGXRCSA-N 2 2 295.427 0.650 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1CC[NH+]1CCOC[C@H]1C ZINC000569716585 358787464 /nfs/dbraw/zinc/78/74/64/358787464.db2.gz TVMGJUYLOSQOOD-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1CC[NH+]1CCOC[C@H]1C ZINC000569716585 358787467 /nfs/dbraw/zinc/78/74/67/358787467.db2.gz TVMGJUYLOSQOOD-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP CC[C@@H]1C[NH+](C)CCN1CC[N@@H+]1CCOC[C@H]1C ZINC000569716585 358787470 /nfs/dbraw/zinc/78/74/70/358787470.db2.gz TVMGJUYLOSQOOD-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP CC[C@@H]1C[NH+](C)CCN1CC[N@H+]1CCOC[C@H]1C ZINC000569716585 358787473 /nfs/dbraw/zinc/78/74/73/358787473.db2.gz TVMGJUYLOSQOOD-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1CC[NH+]1CCOC[C@H]1C ZINC000569716582 358787757 /nfs/dbraw/zinc/78/77/57/358787757.db2.gz TVMGJUYLOSQOOD-KGLIPLIRSA-N 2 2 255.406 0.733 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1CC[NH+]1CCOC[C@H]1C ZINC000569716582 358787761 /nfs/dbraw/zinc/78/77/61/358787761.db2.gz TVMGJUYLOSQOOD-KGLIPLIRSA-N 2 2 255.406 0.733 20 0 CCADLP CC[C@H]1C[NH+](C)CCN1CC[N@@H+]1CCOC[C@H]1C ZINC000569716582 358787765 /nfs/dbraw/zinc/78/77/65/358787765.db2.gz TVMGJUYLOSQOOD-KGLIPLIRSA-N 2 2 255.406 0.733 20 0 CCADLP CC[C@H]1C[NH+](C)CCN1CC[N@H+]1CCOC[C@H]1C ZINC000569716582 358787768 /nfs/dbraw/zinc/78/77/68/358787768.db2.gz TVMGJUYLOSQOOD-KGLIPLIRSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@@H]1CCCC[C@@H]1C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000569808734 358794184 /nfs/dbraw/zinc/79/41/84/358794184.db2.gz JHFSYOKHRJCOAP-AGIUHOORSA-N 2 2 253.390 0.914 20 0 CCADLP C[C@@H]1CCCC[C@@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000569808734 358794187 /nfs/dbraw/zinc/79/41/87/358794187.db2.gz JHFSYOKHRJCOAP-AGIUHOORSA-N 2 2 253.390 0.914 20 0 CCADLP CCOC(=O)[C@@H](CC)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000570145673 358827476 /nfs/dbraw/zinc/82/74/76/358827476.db2.gz MCWIUMYVWIWCJM-LLVKDONJSA-N 2 2 266.345 0.873 20 0 CCADLP C[C@H](CNC(=O)[C@H]([NH3+])C1CCC1)Cn1cc[nH+]c1 ZINC000570164738 358829404 /nfs/dbraw/zinc/82/94/04/358829404.db2.gz ILMJPVOIKPPFHQ-ZYHUDNBSSA-N 2 2 250.346 0.763 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]C[C@H](O)Cc1ccccc1 ZINC000570211446 358834721 /nfs/dbraw/zinc/83/47/21/358834721.db2.gz DQQPDCVSKDQPFF-OAHLLOKOSA-N 2 2 266.385 0.494 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]C[C@H](O)Cc1ccccc1 ZINC000570211446 358834723 /nfs/dbraw/zinc/83/47/23/358834723.db2.gz DQQPDCVSKDQPFF-OAHLLOKOSA-N 2 2 266.385 0.494 20 0 CCADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000570628081 358875117 /nfs/dbraw/zinc/87/51/17/358875117.db2.gz IVTAQDZTBLAIRS-NEPJUHHUSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000570628081 358875123 /nfs/dbraw/zinc/87/51/23/358875123.db2.gz IVTAQDZTBLAIRS-NEPJUHHUSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[C@@H]([NH+]3CCCC3)C2)nc[nH+]1 ZINC000562721659 291165213 /nfs/dbraw/zinc/16/52/13/291165213.db2.gz NYICVPHZZHGOTR-QWHCGFSZSA-N 2 2 291.399 0.944 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000573486109 358972026 /nfs/dbraw/zinc/97/20/26/358972026.db2.gz XMMOQFXOJVKRHB-GFCCVEGCSA-N 2 2 251.330 0.678 20 0 CCADLP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(CO)o2)CC1 ZINC000573505216 358973357 /nfs/dbraw/zinc/97/33/57/358973357.db2.gz BRFCFBNAVRHRJE-UHFFFAOYSA-N 2 2 268.357 0.708 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000562798199 291167920 /nfs/dbraw/zinc/16/79/20/291167920.db2.gz ZLEYSHUAYGCHOV-OLZOCXBDSA-N 2 2 298.431 0.394 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000562798199 291167923 /nfs/dbraw/zinc/16/79/23/291167923.db2.gz ZLEYSHUAYGCHOV-OLZOCXBDSA-N 2 2 298.431 0.394 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000574053504 359025551 /nfs/dbraw/zinc/02/55/51/359025551.db2.gz MLIPETPKLJOSDH-XQQFMLRXSA-N 3 2 268.405 0.186 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000574053504 359025554 /nfs/dbraw/zinc/02/55/54/359025554.db2.gz MLIPETPKLJOSDH-XQQFMLRXSA-N 3 2 268.405 0.186 20 0 CCADLP Cn1nnc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000574159251 359034073 /nfs/dbraw/zinc/03/40/73/359034073.db2.gz FXHRCOJRKVTEIB-MNOVXSKESA-N 2 2 250.350 0.032 20 0 CCADLP Cn1nnc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000574159251 359034077 /nfs/dbraw/zinc/03/40/77/359034077.db2.gz FXHRCOJRKVTEIB-MNOVXSKESA-N 2 2 250.350 0.032 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000573813824 359002397 /nfs/dbraw/zinc/00/23/97/359002397.db2.gz KELIOBFNAQJGPZ-JQWIXIFHSA-N 2 2 250.346 0.799 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000573813824 359002402 /nfs/dbraw/zinc/00/24/02/359002402.db2.gz KELIOBFNAQJGPZ-JQWIXIFHSA-N 2 2 250.346 0.799 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000573813824 359002408 /nfs/dbraw/zinc/00/24/08/359002408.db2.gz KELIOBFNAQJGPZ-JQWIXIFHSA-N 2 2 250.346 0.799 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000573813824 359002414 /nfs/dbraw/zinc/00/24/14/359002414.db2.gz KELIOBFNAQJGPZ-JQWIXIFHSA-N 2 2 250.346 0.799 20 0 CCADLP C[NH2+]C[C@](C)(O)CN1CC[NH+](Cc2ccccn2)CC1 ZINC000573927823 359012760 /nfs/dbraw/zinc/01/27/60/359012760.db2.gz WKNPCWYYYYINCP-HNNXBMFYSA-N 2 2 278.400 0.170 20 0 CCADLP CC1(C)NC(=O)CC[C@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000580027448 359075855 /nfs/dbraw/zinc/07/58/55/359075855.db2.gz RIBHHPDDGJCOHH-JOYOIKCWSA-N 2 2 262.357 0.914 20 0 CCADLP CC1(C)NC(=O)CC[C@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000580027448 359075857 /nfs/dbraw/zinc/07/58/57/359075857.db2.gz RIBHHPDDGJCOHH-JOYOIKCWSA-N 2 2 262.357 0.914 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000580763483 359091094 /nfs/dbraw/zinc/09/10/94/359091094.db2.gz IZXDKKQJFCPTKQ-AGIUHOORSA-N 2 2 284.404 0.004 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000580763483 359091098 /nfs/dbraw/zinc/09/10/98/359091098.db2.gz IZXDKKQJFCPTKQ-AGIUHOORSA-N 2 2 284.404 0.004 20 0 CCADLP CC1(C)NC(=O)N(CC[N@@H+]2CC3CCC2(C[NH3+])CC3)C1=O ZINC000579852500 359056164 /nfs/dbraw/zinc/05/61/64/359056164.db2.gz OJNKKQOGZMYAEL-UHFFFAOYSA-N 2 2 294.399 0.520 20 0 CCADLP CC1(C)NC(=O)N(CC[N@H+]2CC3CCC2(C[NH3+])CC3)C1=O ZINC000579852500 359056166 /nfs/dbraw/zinc/05/61/66/359056166.db2.gz OJNKKQOGZMYAEL-UHFFFAOYSA-N 2 2 294.399 0.520 20 0 CCADLP CC(C)N1CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1=O ZINC000583258836 359153096 /nfs/dbraw/zinc/15/30/96/359153096.db2.gz UKFAGWIDEYGKMB-OLZOCXBDSA-N 2 2 269.389 0.040 20 0 CCADLP CC(C)N1CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1=O ZINC000583258836 359153099 /nfs/dbraw/zinc/15/30/99/359153099.db2.gz UKFAGWIDEYGKMB-OLZOCXBDSA-N 2 2 269.389 0.040 20 0 CCADLP C[C@]1(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CCC[NH2+]1 ZINC000584055445 359163719 /nfs/dbraw/zinc/16/37/19/359163719.db2.gz CPGKFRDUIOGMPZ-CQSZACIVSA-N 2 2 269.389 0.356 20 0 CCADLP C[C@]1(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CCC[NH2+]1 ZINC000584055445 359163725 /nfs/dbraw/zinc/16/37/25/359163725.db2.gz CPGKFRDUIOGMPZ-CQSZACIVSA-N 2 2 269.389 0.356 20 0 CCADLP CC1(C)C[NH+](CC(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000584070314 359166937 /nfs/dbraw/zinc/16/69/37/359166937.db2.gz BLJBCBPGHXWDBT-UHFFFAOYSA-N 2 2 283.416 0.557 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1nnc(C(C)(C)C)[nH]1 ZINC000562956831 291174805 /nfs/dbraw/zinc/17/48/05/291174805.db2.gz OHMTWYPXGYCIHZ-GHMZBOCLSA-N 2 2 281.404 0.959 20 0 CCADLP CCOC(=O)c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000590687064 359508237 /nfs/dbraw/zinc/50/82/37/359508237.db2.gz PXFMZGKFEFNUAE-BETUJISGSA-N 2 2 275.352 0.910 20 0 CCADLP CCOC(=O)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000590687064 359508241 /nfs/dbraw/zinc/50/82/41/359508241.db2.gz PXFMZGKFEFNUAE-BETUJISGSA-N 2 2 275.352 0.910 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000590859576 359531208 /nfs/dbraw/zinc/53/12/08/359531208.db2.gz LOXGJPQKHGXNAM-JTQLQIEISA-N 2 2 251.334 0.314 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000590859576 359531215 /nfs/dbraw/zinc/53/12/15/359531215.db2.gz LOXGJPQKHGXNAM-JTQLQIEISA-N 2 2 251.334 0.314 20 0 CCADLP CCN(C)C(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591869462 359670312 /nfs/dbraw/zinc/67/03/12/359670312.db2.gz XOXDVBRDKRDFSH-GFCCVEGCSA-N 2 2 250.346 0.998 20 0 CCADLP CCN(C)C(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591869462 359670314 /nfs/dbraw/zinc/67/03/14/359670314.db2.gz XOXDVBRDKRDFSH-GFCCVEGCSA-N 2 2 250.346 0.998 20 0 CCADLP Cn1nnc2cc(CN3CC[N@H+](C)C[C@H]3C[NH3+])ccc21 ZINC000563136154 291197550 /nfs/dbraw/zinc/19/75/50/291197550.db2.gz BNQRRVPJPBQTOE-GFCCVEGCSA-N 2 2 274.372 0.043 20 0 CCADLP Cn1nnc2cc(CN3CC[N@@H+](C)C[C@H]3C[NH3+])ccc21 ZINC000563136154 291197552 /nfs/dbraw/zinc/19/75/52/291197552.db2.gz BNQRRVPJPBQTOE-GFCCVEGCSA-N 2 2 274.372 0.043 20 0 CCADLP COC(=O)[C@H](C)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592181496 359778233 /nfs/dbraw/zinc/77/82/33/359778233.db2.gz FSRBNVSFBRWPSV-NSHDSACASA-N 2 2 256.346 0.345 20 0 CCADLP COC(=O)[C@H](C)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592181496 359778238 /nfs/dbraw/zinc/77/82/38/359778238.db2.gz FSRBNVSFBRWPSV-NSHDSACASA-N 2 2 256.346 0.345 20 0 CCADLP Cc1ncc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c(=O)[nH]1 ZINC000563153944 291200193 /nfs/dbraw/zinc/20/01/93/291200193.db2.gz GZQPSPZQRQWKJJ-MJBXVCDLSA-N 2 2 292.383 0.737 20 0 CCADLP Cc1cn2ccc(NC(=O)CN3CC[NH+](C)CC3)cc2[nH+]1 ZINC000620650341 366556212 /nfs/dbraw/zinc/55/62/12/366556212.db2.gz SXAMEWDVUXNITJ-UHFFFAOYSA-N 2 2 287.367 0.829 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000297621481 200243861 /nfs/dbraw/zinc/24/38/61/200243861.db2.gz RUQCCRPYVDMPRU-UHFFFAOYSA-N 2 2 262.357 0.888 20 0 CCADLP C[N@@H+]1CCN(C(=O)c2cccc3cnccc32)[C@@H](C[NH3+])C1 ZINC000563202901 291205210 /nfs/dbraw/zinc/20/52/10/291205210.db2.gz KDNMWPWDZLUSIX-ZDUSSCGKSA-N 2 2 284.363 0.950 20 0 CCADLP C[N@H+]1CCN(C(=O)c2cccc3cnccc32)[C@@H](C[NH3+])C1 ZINC000563202901 291205213 /nfs/dbraw/zinc/20/52/13/291205213.db2.gz KDNMWPWDZLUSIX-ZDUSSCGKSA-N 2 2 284.363 0.950 20 0 CCADLP Cc1nc(CN2CC[NH+](CCC[NH3+])CC2)oc1C ZINC000563214889 291206324 /nfs/dbraw/zinc/20/63/24/291206324.db2.gz INFUMVLNXUVYJN-UHFFFAOYSA-N 2 2 252.362 0.758 20 0 CCADLP c1ccc(C[NH+]2CCN(CCN3CC[NH2+]CC3)CC2)nc1 ZINC000563214825 291206420 /nfs/dbraw/zinc/20/64/20/291206420.db2.gz BZRIEYFSWZETNZ-UHFFFAOYSA-N 2 2 289.427 0.104 20 0 CCADLP C[NH+]1CCN(C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000621014943 366619683 /nfs/dbraw/zinc/61/96/83/366619683.db2.gz SCXRSEVTJLTSKY-UHFFFAOYSA-N 2 2 288.395 0.959 20 0 CCADLP CC(C)[C@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[NH2+]1 ZINC000621157334 366659320 /nfs/dbraw/zinc/65/93/20/366659320.db2.gz UFWFADQPGHAONO-CYBMUJFWSA-N 2 2 264.373 0.809 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000416432053 296008915 /nfs/dbraw/zinc/00/89/15/296008915.db2.gz JCQAVOQBBBLGBZ-STQMWFEESA-N 2 2 279.388 0.961 20 0 CCADLP COCCn1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cn1 ZINC000563349872 291215427 /nfs/dbraw/zinc/21/54/27/291215427.db2.gz KKXYSCDVCOTDMB-DGCLKSJQSA-N 2 2 252.362 0.841 20 0 CCADLP COCCn1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cn1 ZINC000563349872 291215430 /nfs/dbraw/zinc/21/54/30/291215430.db2.gz KKXYSCDVCOTDMB-DGCLKSJQSA-N 2 2 252.362 0.841 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2C[C@@H](C(N)=O)C2)CC1 ZINC000593669703 360132889 /nfs/dbraw/zinc/13/28/89/360132889.db2.gz BXHVAUMWDCSKSL-BJHJDKERSA-N 2 2 297.399 0.258 20 0 CCADLP COC(=O)[C@@H](CC(C)(C)C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593907225 360204380 /nfs/dbraw/zinc/20/43/80/360204380.db2.gz LGVJCFGEGMFQSR-WDEREUQCSA-N 2 2 287.404 0.359 20 0 CCADLP CSCC[C@H](C)N(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593908790 360205502 /nfs/dbraw/zinc/20/55/02/360205502.db2.gz DOGLVEGDCSEKHG-QWRGUYRKSA-N 2 2 261.435 0.865 20 0 CCADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000563374946 291219545 /nfs/dbraw/zinc/21/95/45/291219545.db2.gz CASPLYDUWNFBPN-RDBSUJKOSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000563374946 291219546 /nfs/dbraw/zinc/21/95/46/291219546.db2.gz CASPLYDUWNFBPN-RDBSUJKOSA-N 2 2 283.416 0.554 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3cnc4ccccn34)CCN2C1=O ZINC000594736390 360369732 /nfs/dbraw/zinc/36/97/32/360369732.db2.gz FPVLIZLWOHZHHF-YPMHNXCESA-N 2 2 285.351 0.078 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3cnc4ccccn34)CCN2C1=O ZINC000594736390 360369736 /nfs/dbraw/zinc/36/97/36/360369736.db2.gz FPVLIZLWOHZHHF-YPMHNXCESA-N 2 2 285.351 0.078 20 0 CCADLP CC(C)[NH2+][C@H]1CCC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC000594749315 360375536 /nfs/dbraw/zinc/37/55/36/360375536.db2.gz OSZLZOAJRIZCGF-KBPBESRZSA-N 2 2 266.389 0.706 20 0 CCADLP CC(C)[NH2+][C@H]1CCC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000594749315 360375544 /nfs/dbraw/zinc/37/55/44/360375544.db2.gz OSZLZOAJRIZCGF-KBPBESRZSA-N 2 2 266.389 0.706 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C[NH2+]C(C)C)[C@@H](C)C1 ZINC000595249715 360457963 /nfs/dbraw/zinc/45/79/63/360457963.db2.gz IMDSGRZKDIVZCA-LBPRGKRZSA-N 2 2 285.388 0.080 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)C[NH2+]C(C)C)[C@@H](C)C1 ZINC000595249715 360457967 /nfs/dbraw/zinc/45/79/67/360457967.db2.gz IMDSGRZKDIVZCA-LBPRGKRZSA-N 2 2 285.388 0.080 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1)[C@@H]1CCCC[NH2+]1 ZINC000423019230 299310691 /nfs/dbraw/zinc/31/06/91/299310691.db2.gz UTHBXZYBCVRSEL-XUXIUFHCSA-N 2 2 283.416 0.742 20 0 CCADLP COC(=O)[C@@H]1CC12CC[NH+](C[C@@H]1C[NH2+]CCO1)CC2 ZINC000595890361 360690599 /nfs/dbraw/zinc/69/05/99/360690599.db2.gz CSZJDBPNAFYCSD-RYUDHWBXSA-N 2 2 268.357 0.250 20 0 CCADLP COC(=O)[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C[C@@H]1C ZINC000595819258 360666979 /nfs/dbraw/zinc/66/69/79/360666979.db2.gz FEAQNHGGWMORMP-BFHYXJOUSA-N 2 2 286.416 0.819 20 0 CCADLP COC(=O)[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C[C@@H]1C ZINC000595819258 360666982 /nfs/dbraw/zinc/66/69/82/360666982.db2.gz FEAQNHGGWMORMP-BFHYXJOUSA-N 2 2 286.416 0.819 20 0 CCADLP COC(=O)[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC000595819258 360666984 /nfs/dbraw/zinc/66/69/84/360666984.db2.gz FEAQNHGGWMORMP-BFHYXJOUSA-N 2 2 286.416 0.819 20 0 CCADLP COC(=O)[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC000595819258 360666986 /nfs/dbraw/zinc/66/69/86/360666986.db2.gz FEAQNHGGWMORMP-BFHYXJOUSA-N 2 2 286.416 0.819 20 0 CCADLP CN1CCC[C@H]([NH+]2CCN(c3[nH]cc[nH+]3)CC2)C1=O ZINC000563545064 291237290 /nfs/dbraw/zinc/23/72/90/291237290.db2.gz HLEDODOUXXXXIZ-NSHDSACASA-N 2 2 263.345 0.153 20 0 CCADLP O=C(NC[C@@H]1CCC[NH2+]1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000178784635 189145656 /nfs/dbraw/zinc/14/56/56/189145656.db2.gz PQLXKGFBVBIBPS-LBPRGKRZSA-N 2 2 271.324 0.749 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1c[nH+]c(C)n1C ZINC000563635475 291244118 /nfs/dbraw/zinc/24/41/18/291244118.db2.gz HTHUBFDAIKQGJD-SNVBAGLBSA-N 2 2 274.390 0.146 20 0 CCADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000563709394 291247987 /nfs/dbraw/zinc/24/79/87/291247987.db2.gz SXRBLJRSJMITGQ-IUODEOHRSA-N 3 2 280.416 0.872 20 0 CCADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000563709394 291247989 /nfs/dbraw/zinc/24/79/89/291247989.db2.gz SXRBLJRSJMITGQ-IUODEOHRSA-N 3 2 280.416 0.872 20 0 CCADLP COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000597155075 361017461 /nfs/dbraw/zinc/01/74/61/361017461.db2.gz DTHLEYBWTXFNBG-JQWIXIFHSA-N 2 2 267.329 0.084 20 0 CCADLP COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000597155075 361017465 /nfs/dbraw/zinc/01/74/65/361017465.db2.gz DTHLEYBWTXFNBG-JQWIXIFHSA-N 2 2 267.329 0.084 20 0 CCADLP CNS(=O)(=O)CC[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000621268492 366693040 /nfs/dbraw/zinc/69/30/40/366693040.db2.gz MFBXJZUBFFIPOF-VXGBXAGGSA-N 2 2 286.401 0.315 20 0 CCADLP CNS(=O)(=O)CC[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000621268492 366693048 /nfs/dbraw/zinc/69/30/48/366693048.db2.gz MFBXJZUBFFIPOF-VXGBXAGGSA-N 2 2 286.401 0.315 20 0 CCADLP C[NH+](C)C1(CS(=O)(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000631795604 370673206 /nfs/dbraw/zinc/67/32/06/370673206.db2.gz IRTRRUBUFHKYNM-UHFFFAOYSA-N 2 2 275.418 0.094 20 0 CCADLP C[NH+](C)C1(CS(=O)(=O)NCC[N@@H+](C)C2CC2)CC1 ZINC000631795604 370673217 /nfs/dbraw/zinc/67/32/17/370673217.db2.gz IRTRRUBUFHKYNM-UHFFFAOYSA-N 2 2 275.418 0.094 20 0 CCADLP CCCn1nccc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000631824223 370690123 /nfs/dbraw/zinc/69/01/23/370690123.db2.gz YTBJYVUDBRLTSP-XQQFMLRXSA-N 2 2 291.399 0.901 20 0 CCADLP CCCn1nccc1NC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000631824223 370690130 /nfs/dbraw/zinc/69/01/30/370690130.db2.gz YTBJYVUDBRLTSP-XQQFMLRXSA-N 2 2 291.399 0.901 20 0 CCADLP C(c1nc(C2CCC2)no1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000631827818 370694292 /nfs/dbraw/zinc/69/42/92/370694292.db2.gz XCVBLECLUAYQRA-ZDUSSCGKSA-N 2 2 291.399 0.817 20 0 CCADLP C(c1nc(C2CCC2)no1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000631827818 370694296 /nfs/dbraw/zinc/69/42/96/370694296.db2.gz XCVBLECLUAYQRA-ZDUSSCGKSA-N 2 2 291.399 0.817 20 0 CCADLP O=C1[C@@H]([N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)CCN1C1CCC1 ZINC000631823335 370688739 /nfs/dbraw/zinc/68/87/39/370688739.db2.gz BRATUGWROHBWDH-DZGCQCFKSA-N 2 2 263.385 0.825 20 0 CCADLP O=C1[C@@H]([N@H+]2CC[C@@]3(CC[NH2+]C3)C2)CCN1C1CCC1 ZINC000631823335 370688745 /nfs/dbraw/zinc/68/87/45/370688745.db2.gz BRATUGWROHBWDH-DZGCQCFKSA-N 2 2 263.385 0.825 20 0 CCADLP C[C@@H](NC(=O)C1([NH3+])CCCCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000237494554 296040147 /nfs/dbraw/zinc/04/01/47/296040147.db2.gz VXGUOJXWGHFGQL-CHWSQXEVSA-N 2 2 283.416 0.873 20 0 CCADLP CCOC(=O)C[C@@H](O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000599341586 361661162 /nfs/dbraw/zinc/66/11/62/361661162.db2.gz KWCRBOQWVJAXSA-GFCCVEGCSA-N 2 2 281.356 0.903 20 0 CCADLP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000564659083 291292344 /nfs/dbraw/zinc/29/23/44/291292344.db2.gz OWLZFMDJJFPHKS-QWHCGFSZSA-N 2 2 285.432 0.848 20 0 CCADLP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000564659083 291292345 /nfs/dbraw/zinc/29/23/45/291292345.db2.gz OWLZFMDJJFPHKS-QWHCGFSZSA-N 2 2 285.432 0.848 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000612212440 363863650 /nfs/dbraw/zinc/86/36/50/363863650.db2.gz BKNAKMIUQPXGHR-FDYHWXHSSA-N 2 2 276.384 0.980 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000612212440 363863656 /nfs/dbraw/zinc/86/36/56/363863656.db2.gz BKNAKMIUQPXGHR-FDYHWXHSSA-N 2 2 276.384 0.980 20 0 CCADLP C[C@]1(NC(=O)NCCc2cn3c([nH+]2)CCCC3)CC[NH2+]C1 ZINC000612869256 364026461 /nfs/dbraw/zinc/02/64/61/364026461.db2.gz KNCSZFKZLHJYOF-HNNXBMFYSA-N 2 2 291.399 0.813 20 0 CCADLP C[C@@]1(NC(=O)NCCCCn2cc[nH+]c2)CC[NH2+]C1 ZINC000612872502 364028908 /nfs/dbraw/zinc/02/89/08/364028908.db2.gz JUOVNDOQAJJZNU-CYBMUJFWSA-N 2 2 265.361 0.715 20 0 CCADLP CCn1nc(C)c(C[N@H+](C)C[C@](C)(O)C[NH2+]C)c1C ZINC000631834742 370700819 /nfs/dbraw/zinc/70/08/19/370700819.db2.gz DZLINAQAPIIHMC-CQSZACIVSA-N 2 2 268.405 0.922 20 0 CCADLP CCn1nc(C)c(C[N@@H+](C)C[C@](C)(O)C[NH2+]C)c1C ZINC000631834742 370700826 /nfs/dbraw/zinc/70/08/26/370700826.db2.gz DZLINAQAPIIHMC-CQSZACIVSA-N 2 2 268.405 0.922 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)on1 ZINC000631840481 370705191 /nfs/dbraw/zinc/70/51/91/370705191.db2.gz CLUXDKLLUAJZTB-PSASIEDQSA-N 2 2 252.318 0.448 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)on1 ZINC000631840481 370705200 /nfs/dbraw/zinc/70/52/00/370705200.db2.gz CLUXDKLLUAJZTB-PSASIEDQSA-N 2 2 252.318 0.448 20 0 CCADLP O=C(CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)N1CCOCC1 ZINC000631885625 370736910 /nfs/dbraw/zinc/73/69/10/370736910.db2.gz ACDLDDZMNMIJIT-KGLIPLIRSA-N 2 2 281.400 0.309 20 0 CCADLP O=C(CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)N1CCOCC1 ZINC000631885625 370736914 /nfs/dbraw/zinc/73/69/14/370736914.db2.gz ACDLDDZMNMIJIT-KGLIPLIRSA-N 2 2 281.400 0.309 20 0 CCADLP CC(C)(C)NC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631887282 370738334 /nfs/dbraw/zinc/73/83/34/370738334.db2.gz QCNRFPYWUFFPTP-NWDGAFQWSA-N 2 2 253.390 0.975 20 0 CCADLP CC(C)(C)NC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631887282 370738337 /nfs/dbraw/zinc/73/83/37/370738337.db2.gz QCNRFPYWUFFPTP-NWDGAFQWSA-N 2 2 253.390 0.975 20 0 CCADLP CN(C(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)C1CC1 ZINC000631887222 370738640 /nfs/dbraw/zinc/73/86/40/370738640.db2.gz MLFHMJHMLGVRTL-WCQYABFASA-N 2 2 251.374 0.681 20 0 CCADLP CN(C(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)C1CC1 ZINC000631887222 370738643 /nfs/dbraw/zinc/73/86/43/370738643.db2.gz MLFHMJHMLGVRTL-WCQYABFASA-N 2 2 251.374 0.681 20 0 CCADLP CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631933212 370767440 /nfs/dbraw/zinc/76/74/40/370767440.db2.gz GQFCTTKZWHDWKG-GFCCVEGCSA-N 2 2 289.445 0.484 20 0 CCADLP CN(C)[C@H](C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C)c1c[nH+]cn1C ZINC000613665465 364331555 /nfs/dbraw/zinc/33/15/55/364331555.db2.gz MIICMVLWMQTAEZ-BZPMIXESSA-N 2 2 293.415 0.622 20 0 CCADLP COCC1([NH2+]Cc2c[nH+]c(N(C)C)n2C)CCOCC1 ZINC000564878816 291310306 /nfs/dbraw/zinc/31/03/06/291310306.db2.gz FKWWILBRZTYILV-UHFFFAOYSA-N 2 2 282.388 0.771 20 0 CCADLP CCOC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000613855632 364410539 /nfs/dbraw/zinc/41/05/39/364410539.db2.gz UYZHIEYATVFAJH-OCCSQVGLSA-N 2 2 281.356 0.834 20 0 CCADLP CCOC(=O)[C@@](C)(O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000613855632 364410544 /nfs/dbraw/zinc/41/05/44/364410544.db2.gz UYZHIEYATVFAJH-OCCSQVGLSA-N 2 2 281.356 0.834 20 0 CCADLP CC(C)[C@@H](C(=O)N[C@H](C)C[NH+]1CCN(C)CC1)[C@@H](C)[NH3+] ZINC000564922533 291316581 /nfs/dbraw/zinc/31/65/81/291316581.db2.gz VFEGMVGYIGJDLX-MGPQQGTHSA-N 2 2 284.448 0.358 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]([NH3+])c2cscn2)C[C@H]1C ZINC000564924194 291316966 /nfs/dbraw/zinc/31/69/66/291316966.db2.gz JCWQEDPBFPRVIU-SCVCMEIPSA-N 2 2 298.412 0.056 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]([NH3+])c2cscn2)C[C@H]1C ZINC000564924194 291316968 /nfs/dbraw/zinc/31/69/68/291316968.db2.gz JCWQEDPBFPRVIU-SCVCMEIPSA-N 2 2 298.412 0.056 20 0 CCADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCCN1CCOCC1)C2 ZINC000621784190 366866369 /nfs/dbraw/zinc/86/63/69/366866369.db2.gz LDWPARUWDSDBQZ-ZIAGYGMSSA-N 2 2 253.390 0.522 20 0 CCADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCCN1CCOCC1)C2 ZINC000621784190 366866373 /nfs/dbraw/zinc/86/63/73/366866373.db2.gz LDWPARUWDSDBQZ-ZIAGYGMSSA-N 2 2 253.390 0.522 20 0 CCADLP [NH3+][C@@]12CCC[C@@H]1CN(CCC[NH+]1CCOCC1)C2 ZINC000621784190 366866377 /nfs/dbraw/zinc/86/63/77/366866377.db2.gz LDWPARUWDSDBQZ-ZIAGYGMSSA-N 2 2 253.390 0.522 20 0 CCADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](C[C@@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000621784204 366866589 /nfs/dbraw/zinc/86/65/89/366866589.db2.gz LIPINOUQVDRMCE-DYEKYZERSA-N 3 2 251.374 0.321 20 0 CCADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](C[C@@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000621784204 366866593 /nfs/dbraw/zinc/86/65/93/366866593.db2.gz LIPINOUQVDRMCE-DYEKYZERSA-N 3 2 251.374 0.321 20 0 CCADLP C[C@@H](CC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)n1cc[nH+]c1 ZINC000614514158 364642628 /nfs/dbraw/zinc/64/26/28/364642628.db2.gz JKJSHPCETXUXCN-KBPBESRZSA-N 2 2 291.399 0.340 20 0 CCADLP C[C@@H](CC(=O)NC[C@H]1C[N@H+]2CCN1CCC2)n1cc[nH+]c1 ZINC000614514158 364642629 /nfs/dbraw/zinc/64/26/29/364642629.db2.gz JKJSHPCETXUXCN-KBPBESRZSA-N 2 2 291.399 0.340 20 0 CCADLP COc1cc2c(cc1CN1CC[N@H+](C)C[C@H]1C[NH3+])OCO2 ZINC000564973591 291328661 /nfs/dbraw/zinc/32/86/61/291328661.db2.gz MVIWIIFQDZMOLE-GFCCVEGCSA-N 2 2 293.367 0.499 20 0 CCADLP COc1cc2c(cc1CN1CC[N@@H+](C)C[C@H]1C[NH3+])OCO2 ZINC000564973591 291328663 /nfs/dbraw/zinc/32/86/63/291328663.db2.gz MVIWIIFQDZMOLE-GFCCVEGCSA-N 2 2 293.367 0.499 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000615185265 364874811 /nfs/dbraw/zinc/87/48/11/364874811.db2.gz WBQRMNMJQDJSRS-FMCLSXCISA-N 2 2 274.368 0.686 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000615185265 364874817 /nfs/dbraw/zinc/87/48/17/364874817.db2.gz WBQRMNMJQDJSRS-FMCLSXCISA-N 2 2 274.368 0.686 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)CCNC(=O)OC(C)(C)C ZINC000496455008 240078161 /nfs/dbraw/zinc/07/81/61/240078161.db2.gz SKZCOXFLNWJSNJ-LBPRGKRZSA-N 2 2 289.420 0.756 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCNC(=O)OC(C)(C)C ZINC000496455008 240078175 /nfs/dbraw/zinc/07/81/75/240078175.db2.gz SKZCOXFLNWJSNJ-LBPRGKRZSA-N 2 2 289.420 0.756 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)CCNC(=O)OC(C)(C)C ZINC000496455008 240078187 /nfs/dbraw/zinc/07/81/87/240078187.db2.gz SKZCOXFLNWJSNJ-LBPRGKRZSA-N 2 2 289.420 0.756 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCNC(=O)OC(C)(C)C ZINC000496455008 240078202 /nfs/dbraw/zinc/07/82/02/240078202.db2.gz SKZCOXFLNWJSNJ-LBPRGKRZSA-N 2 2 289.420 0.756 20 0 CCADLP COCC[NH2+]C1CC[NH+](Cc2cn(C)nc2C)CC1 ZINC000565060792 291341592 /nfs/dbraw/zinc/34/15/92/291341592.db2.gz 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CCOC(=O)c1ccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])o1 ZINC000565302289 291369981 /nfs/dbraw/zinc/36/99/81/291369981.db2.gz BMPBVZQXRHGCNB-LLVKDONJSA-N 2 2 281.356 0.531 20 0 CCADLP CCOC(=O)c1ccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])o1 ZINC000565302289 291369985 /nfs/dbraw/zinc/36/99/85/291369985.db2.gz BMPBVZQXRHGCNB-LLVKDONJSA-N 2 2 281.356 0.531 20 0 CCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000565303321 291370846 /nfs/dbraw/zinc/37/08/46/291370846.db2.gz MLNLMXLQLKGFSK-AWEZNQCLSA-N 2 2 253.390 0.930 20 0 CCADLP CCN(CC)C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000565303321 291370847 /nfs/dbraw/zinc/37/08/47/291370847.db2.gz MLNLMXLQLKGFSK-AWEZNQCLSA-N 2 2 253.390 0.930 20 0 CCADLP CN(C)[C@H](C(=O)N(C)CCC[NH+](C)C)c1c[nH+]cn1C ZINC000622484647 367184223 /nfs/dbraw/zinc/18/42/23/367184223.db2.gz UXJPBJJZSGPLHL-ZDUSSCGKSA-N 2 2 281.404 0.433 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000622503650 367189833 /nfs/dbraw/zinc/18/98/33/367189833.db2.gz IDBYJFMQWQJVBV-UHFFFAOYSA-N 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COC1(C[C@@H](C)[NH2+]CC[N@@H+]2CC[C@@H](O)C2)CCC1 ZINC000624230863 367799062 /nfs/dbraw/zinc/79/90/62/367799062.db2.gz JKQQDBQIDQUIBO-CHWSQXEVSA-N 2 2 256.390 0.990 20 0 CCADLP COC1(C[C@@H](C)[NH2+]CC[N@H+]2CC[C@@H](O)C2)CCC1 ZINC000624230863 367799067 /nfs/dbraw/zinc/79/90/67/367799067.db2.gz JKQQDBQIDQUIBO-CHWSQXEVSA-N 2 2 256.390 0.990 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000624380604 367861889 /nfs/dbraw/zinc/86/18/89/367861889.db2.gz LXYSBCKWGXZPPQ-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000624380604 367861895 /nfs/dbraw/zinc/86/18/95/367861895.db2.gz LXYSBCKWGXZPPQ-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP CCC[NH+]1CC[C@H](NC(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000624380604 367861904 /nfs/dbraw/zinc/86/19/04/367861904.db2.gz LXYSBCKWGXZPPQ-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP CCC[NH+]1CC[C@H](NC(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000624380604 367861910 /nfs/dbraw/zinc/86/19/10/367861910.db2.gz LXYSBCKWGXZPPQ-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCCCn1cc[nH+]c1C ZINC000624475022 367893577 /nfs/dbraw/zinc/89/35/77/367893577.db2.gz OXOAMDZAZONGHA-UHFFFAOYSA-N 2 2 261.329 0.903 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CCc2c(nnn2C)C1 ZINC000656201216 412764464 /nfs/dbraw/zinc/76/44/64/412764464.db2.gz KRZKRULPCZPPFR-UTUOFQBUSA-N 2 2 279.388 0.029 20 0 CCADLP Cn1cc(CC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)nn1 ZINC000625392910 368178286 /nfs/dbraw/zinc/17/82/86/368178286.db2.gz YNNVNLGKDUELBV-HNNXBMFYSA-N 2 2 293.415 0.544 20 0 CCADLP Cn1cc(CC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)nn1 ZINC000625392910 368178290 /nfs/dbraw/zinc/17/82/90/368178290.db2.gz YNNVNLGKDUELBV-HNNXBMFYSA-N 2 2 293.415 0.544 20 0 CCADLP O[C@]1(C[NH+]2CCC([NH+]3CCOCC3)CC2)CCCOC1 ZINC000625544106 368237746 /nfs/dbraw/zinc/23/77/46/368237746.db2.gz IBSDJFGKBFVAIU-HNNXBMFYSA-N 2 2 284.400 0.325 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@H]1CCC[N@H+]1C)CC2 ZINC000625566126 368249398 /nfs/dbraw/zinc/24/93/98/368249398.db2.gz GCFQEVRYUQOBAQ-CHWSQXEVSA-N 2 2 276.384 0.964 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1C)CC2 ZINC000625566126 368249402 /nfs/dbraw/zinc/24/94/02/368249402.db2.gz GCFQEVRYUQOBAQ-CHWSQXEVSA-N 2 2 276.384 0.964 20 0 CCADLP COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000566497433 291418387 /nfs/dbraw/zinc/41/83/87/291418387.db2.gz WXPRLEOCSWBHJD-ZIAGYGMSSA-N 2 2 283.372 0.639 20 0 CCADLP Cc1cc[nH+]c(C)c1NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000626559494 368578918 /nfs/dbraw/zinc/57/89/18/368578918.db2.gz CKUXMBREZGYBTF-GFCCVEGCSA-N 2 2 278.356 0.887 20 0 CCADLP Cc1cc[nH+]c(C)c1NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000626559494 368578922 /nfs/dbraw/zinc/57/89/22/368578922.db2.gz CKUXMBREZGYBTF-GFCCVEGCSA-N 2 2 278.356 0.887 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000626940472 368690690 /nfs/dbraw/zinc/69/06/90/368690690.db2.gz ZOLPKFOOCYERCD-UTUOFQBUSA-N 2 2 265.361 0.711 20 0 CCADLP C[C@H](NC(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000626970854 368703897 /nfs/dbraw/zinc/70/38/97/368703897.db2.gz WANRKLODPJLZJD-ZDEQEGDKSA-N 2 2 284.404 0.145 20 0 CCADLP C[NH2+]CCOCCNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000626984734 368713952 /nfs/dbraw/zinc/71/39/52/368713952.db2.gz KBIANRBOMJQAJW-UHFFFAOYSA-N 2 2 297.403 0.574 20 0 CCADLP Cc1cccn2cc(CCNC(=O)N[C@@H]3CC[NH2+]C3)[nH+]c12 ZINC000626991319 368718418 /nfs/dbraw/zinc/71/84/18/368718418.db2.gz FUHMMNRNETXGGP-GFCCVEGCSA-N 2 2 287.367 0.846 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)NCCCn2cc[nH+]c2)C[NH2+]1 ZINC000626917707 368676599 /nfs/dbraw/zinc/67/65/99/368676599.db2.gz LTYVJQBRRLSCQO-NEPJUHHUSA-N 2 2 265.361 0.713 20 0 CCADLP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCCCn1cc[nH+]c1)C2 ZINC000626917782 368677396 /nfs/dbraw/zinc/67/73/96/368677396.db2.gz NTONVAVDPGYJFS-GASCZTMLSA-N 2 2 291.399 0.914 20 0 CCADLP C[C@H](NC(=O)NC[C@H]1COCC[N@@H+]1C)[C@H]1CCC[NH2+]C1 ZINC000627070535 368769323 /nfs/dbraw/zinc/76/93/23/368769323.db2.gz VRWUBQWKAAXFQB-AVGNSLFASA-N 2 2 284.404 0.004 20 0 CCADLP C[C@H](NC(=O)NC[C@H]1COCC[N@H+]1C)[C@H]1CCC[NH2+]C1 ZINC000627070535 368769324 /nfs/dbraw/zinc/76/93/24/368769324.db2.gz VRWUBQWKAAXFQB-AVGNSLFASA-N 2 2 284.404 0.004 20 0 CCADLP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000627040347 368750977 /nfs/dbraw/zinc/75/09/77/368750977.db2.gz HTWSDXOVAWJMGS-LLVKDONJSA-N 2 2 295.387 0.144 20 0 CCADLP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000627040347 368750978 /nfs/dbraw/zinc/75/09/78/368750978.db2.gz HTWSDXOVAWJMGS-LLVKDONJSA-N 2 2 295.387 0.144 20 0 CCADLP C[NH2+]CCOCCNC(=O)NCc1c[nH+]ccc1OC ZINC000627043779 368752610 /nfs/dbraw/zinc/75/26/10/368752610.db2.gz WXZKXFNRHRRVEI-UHFFFAOYSA-N 2 2 282.344 0.125 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000627160459 368836089 /nfs/dbraw/zinc/83/60/89/368836089.db2.gz LPDKCHFJYWKBPL-NWDGAFQWSA-N 2 2 263.345 0.549 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000627162505 368837366 /nfs/dbraw/zinc/83/73/66/368837366.db2.gz OYAVAJLVGUWXEN-HZSPNIEDSA-N 2 2 298.431 0.489 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000627089475 368789056 /nfs/dbraw/zinc/78/90/56/368789056.db2.gz MTCXFJMZKJULBW-STQMWFEESA-N 2 2 284.404 0.134 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000627089475 368789060 /nfs/dbraw/zinc/78/90/60/368789060.db2.gz MTCXFJMZKJULBW-STQMWFEESA-N 2 2 284.404 0.134 20 0 CCADLP O=C(N[C@@H]1CC[NH2+]C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000627248068 368913271 /nfs/dbraw/zinc/91/32/71/368913271.db2.gz FYVAZZHTVYTPDO-GHMZBOCLSA-N 2 2 263.345 0.661 20 0 CCADLP C[C@H]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)C[C@@H]1n1cc[nH+]c1 ZINC000627249695 368914326 /nfs/dbraw/zinc/91/43/26/368914326.db2.gz ZIWOWDVMCHZFTE-XQQFMLRXSA-N 2 2 277.372 0.838 20 0 CCADLP [NH3+]CCCOCCNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000627213705 368885326 /nfs/dbraw/zinc/88/53/26/368885326.db2.gz OKZBPCXCIDNIHO-LBPRGKRZSA-N 2 2 295.387 0.664 20 0 CCADLP CCCN(C(=O)NC[C@H]1COCC[N@@H+]1C)[C@H]1CC[NH2+]C1 ZINC000627183230 368851451 /nfs/dbraw/zinc/85/14/51/368851451.db2.gz IJVFIRWHBHYTHC-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP CCCN(C(=O)NC[C@H]1COCC[N@H+]1C)[C@H]1CC[NH2+]C1 ZINC000627183230 368851453 /nfs/dbraw/zinc/85/14/53/368851453.db2.gz IJVFIRWHBHYTHC-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccnn1C ZINC000453271843 296133013 /nfs/dbraw/zinc/13/30/13/296133013.db2.gz UJOKLVNVYCPEKP-CHWSQXEVSA-N 2 2 266.389 0.918 20 0 CCADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccnn1C ZINC000453271843 296133014 /nfs/dbraw/zinc/13/30/14/296133014.db2.gz UJOKLVNVYCPEKP-CHWSQXEVSA-N 2 2 266.389 0.918 20 0 CCADLP NC(=O)CC[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000567136968 291461857 /nfs/dbraw/zinc/46/18/57/291461857.db2.gz RINVRORHHUKAOM-UHFFFAOYSA-N 2 2 271.430 0.813 20 0 CCADLP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628913621 369448601 /nfs/dbraw/zinc/44/86/01/369448601.db2.gz BNVCJFCWNSHOBY-NEPJUHHUSA-N 2 2 271.405 0.600 20 0 CCADLP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628913621 369448605 /nfs/dbraw/zinc/44/86/05/369448605.db2.gz BNVCJFCWNSHOBY-NEPJUHHUSA-N 2 2 271.405 0.600 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)n1C ZINC000567292502 291473643 /nfs/dbraw/zinc/47/36/43/291473643.db2.gz RVUDNNSQPZSUTG-OCCSQVGLSA-N 2 2 262.357 0.875 20 0 CCADLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)N3CCC3)C2)C1 ZINC000336439261 213302737 /nfs/dbraw/zinc/30/27/37/213302737.db2.gz JPOVZZVVRGYVNT-AWEZNQCLSA-N 2 2 251.374 0.636 20 0 CCADLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)N3CCC3)C2)C1 ZINC000336439261 213302738 /nfs/dbraw/zinc/30/27/38/213302738.db2.gz JPOVZZVVRGYVNT-AWEZNQCLSA-N 2 2 251.374 0.636 20 0 CCADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)N3CCC3)C2)C1 ZINC000336439261 213302741 /nfs/dbraw/zinc/30/27/41/213302741.db2.gz JPOVZZVVRGYVNT-AWEZNQCLSA-N 2 2 251.374 0.636 20 0 CCADLP CN1CC[C@H]([N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1=O ZINC000629564061 369710900 /nfs/dbraw/zinc/71/09/00/369710900.db2.gz RETPVWWFBLCVEP-GUBZILKMSA-N 2 2 279.306 0.676 20 0 CCADLP CN1CC[C@H]([N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1=O ZINC000629564061 369710905 /nfs/dbraw/zinc/71/09/05/369710905.db2.gz RETPVWWFBLCVEP-GUBZILKMSA-N 2 2 279.306 0.676 20 0 CCADLP C[C@H](c1nnnn1-c1ccccc1)[N@H+](C)CCOCC[NH3+] ZINC000629579927 369722684 /nfs/dbraw/zinc/72/26/84/369722684.db2.gz YLIYRHSQKYINKW-GFCCVEGCSA-N 2 2 290.371 0.630 20 0 CCADLP C[C@H](c1nnnn1-c1ccccc1)[N@@H+](C)CCOCC[NH3+] ZINC000629579927 369722689 /nfs/dbraw/zinc/72/26/89/369722689.db2.gz YLIYRHSQKYINKW-GFCCVEGCSA-N 2 2 290.371 0.630 20 0 CCADLP CC(=O)Nc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cn1 ZINC000629578474 369720522 /nfs/dbraw/zinc/72/05/22/369720522.db2.gz CPAKWBYTIFIRTH-AWEZNQCLSA-N 2 2 292.383 0.586 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000629516433 369689536 /nfs/dbraw/zinc/68/95/36/369689536.db2.gz FSXQXCGVTLDMNN-QWRGUYRKSA-N 2 2 260.403 0.684 20 0 CCADLP Nc1ncccc1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000629518034 369689848 /nfs/dbraw/zinc/68/98/48/369689848.db2.gz HGABHCGYZPUXHC-CYBMUJFWSA-N 2 2 289.383 0.060 20 0 CCADLP Nc1ncccc1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000629518034 369689852 /nfs/dbraw/zinc/68/98/52/369689852.db2.gz HGABHCGYZPUXHC-CYBMUJFWSA-N 2 2 289.383 0.060 20 0 CCADLP C[N@H+](CCOCC[NH3+])Cc1nc(-c2ccoc2)no1 ZINC000629579876 369722972 /nfs/dbraw/zinc/72/29/72/369722972.db2.gz WZSKGCHBFKGAAE-UHFFFAOYSA-N 2 2 266.301 0.737 20 0 CCADLP C[N@@H+](CCOCC[NH3+])Cc1nc(-c2ccoc2)no1 ZINC000629579876 369722974 /nfs/dbraw/zinc/72/29/74/369722974.db2.gz WZSKGCHBFKGAAE-UHFFFAOYSA-N 2 2 266.301 0.737 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@H]1CO[C@H](C2CC2)C1)C1CC1 ZINC000629607316 369737918 /nfs/dbraw/zinc/73/79/18/369737918.db2.gz LGGRCSXWTKRLNS-BNOWGMLFSA-N 2 2 254.374 0.599 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CO[C@H](C2CC2)C1)C1CC1 ZINC000629607316 369737922 /nfs/dbraw/zinc/73/79/22/369737922.db2.gz LGGRCSXWTKRLNS-BNOWGMLFSA-N 2 2 254.374 0.599 20 0 CCADLP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000629653073 369748227 /nfs/dbraw/zinc/74/82/27/369748227.db2.gz MHZBEPGKUULUGV-VHSXEESVSA-N 3 2 265.361 0.261 20 0 CCADLP O[C@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C[NH+]1CCCC1 ZINC000629579461 369723562 /nfs/dbraw/zinc/72/35/62/369723562.db2.gz DAYOWBNPNUGUAQ-NWDGAFQWSA-N 3 2 264.373 0.313 20 0 CCADLP O[C@H](C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C[NH+]1CCCC1 ZINC000629579461 369723566 /nfs/dbraw/zinc/72/35/66/369723566.db2.gz DAYOWBNPNUGUAQ-NWDGAFQWSA-N 3 2 264.373 0.313 20 0 CCADLP O[C@H](C[NH2+][C@H]1CCc2nc[nH]c2C1)C[NH+]1CCCC1 ZINC000629579461 369723570 /nfs/dbraw/zinc/72/35/70/369723570.db2.gz DAYOWBNPNUGUAQ-NWDGAFQWSA-N 2 2 264.373 0.313 20 0 CCADLP CC[C@@H](O)C[NH+]1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000276563469 193382290 /nfs/dbraw/zinc/38/22/90/193382290.db2.gz JKXNQFGJJTWQIS-CQSZACIVSA-N 2 2 294.399 0.268 20 0 CCADLP C(O[C@@H]1CC[NH2+]C1)C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000629591629 369732318 /nfs/dbraw/zinc/73/23/18/369732318.db2.gz LHQJVYUONLQXDA-HUUCEWRRSA-N 3 2 283.416 0.065 20 0 CCADLP CC(C)[C@H](CNC(=O)C=Cc1c[nH]c[nH+]1)[NH+]1CCOCC1 ZINC000276565004 193383356 /nfs/dbraw/zinc/38/33/56/193383356.db2.gz KMAJWZUWYNXDQH-XGACYXMMSA-N 2 2 292.383 0.896 20 0 CCADLP COCCOC[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000629600917 369735464 /nfs/dbraw/zinc/73/54/64/369735464.db2.gz BWEWUELUPPGQHQ-GJZGRUSLSA-N 2 2 286.416 0.617 20 0 CCADLP COCCOC[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000629600917 369735469 /nfs/dbraw/zinc/73/54/69/369735469.db2.gz BWEWUELUPPGQHQ-GJZGRUSLSA-N 2 2 286.416 0.617 20 0 CCADLP COc1c(N)[nH+]cnc1N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000630385580 370087967 /nfs/dbraw/zinc/08/79/67/370087967.db2.gz MDDMDCKPJVKTRJ-VHSXEESVSA-N 2 2 263.345 0.646 20 0 CCADLP COc1c(N)nc[nH+]c1N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000630385580 370087970 /nfs/dbraw/zinc/08/79/70/370087970.db2.gz MDDMDCKPJVKTRJ-VHSXEESVSA-N 2 2 263.345 0.646 20 0 CCADLP C[C@@H](O)CNc1cc(NC2CC[NH2+]CC2)nc[nH+]1 ZINC000630548856 370162672 /nfs/dbraw/zinc/16/26/72/370162672.db2.gz HBXWRGSTTPDFPF-SECBINFHSA-N 2 2 251.334 0.433 20 0 CCADLP C[C@@H](O)CNc1cc(NC2CC[NH2+]CC2)[nH+]cn1 ZINC000630548856 370162676 /nfs/dbraw/zinc/16/26/76/370162676.db2.gz HBXWRGSTTPDFPF-SECBINFHSA-N 2 2 251.334 0.433 20 0 CCADLP CC[C@@]1(C)CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000336507103 213384036 /nfs/dbraw/zinc/38/40/36/213384036.db2.gz FIIUFQOOAIYYGI-AWEZNQCLSA-N 2 2 253.390 0.882 20 0 CCADLP CC[C@@]1(C)CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000336507103 213384037 /nfs/dbraw/zinc/38/40/37/213384037.db2.gz FIIUFQOOAIYYGI-AWEZNQCLSA-N 2 2 253.390 0.882 20 0 CCADLP Cc1nc(NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)nc(N)[nH+]1 ZINC000631060034 370370864 /nfs/dbraw/zinc/37/08/64/370370864.db2.gz BNIFBNORRGMYDE-GHMZBOCLSA-N 2 2 278.404 0.794 20 0 CCADLP Cc1nc(N)nc(NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)[nH+]1 ZINC000631060034 370370865 /nfs/dbraw/zinc/37/08/65/370370865.db2.gz BNIFBNORRGMYDE-GHMZBOCLSA-N 2 2 278.404 0.794 20 0 CCADLP Cc1nc(NCC2([NH+]3CCCC3)CCOCC2)nc(N)[nH+]1 ZINC000631101693 370385065 /nfs/dbraw/zinc/38/50/65/370385065.db2.gz PBHJLZKVMKCPLA-UHFFFAOYSA-N 2 2 292.387 0.071 20 0 CCADLP Cc1nc(NCC[NH+]2[C@H](C)CCC[C@H]2C)nc(N)[nH+]1 ZINC000631110056 370387066 /nfs/dbraw/zinc/38/70/66/370387066.db2.gz GOFCCAIFTXRORF-NXEZZACHSA-N 2 2 264.377 0.689 20 0 CCADLP CC[N@H+](C)C[C@H]1CCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000631136540 370395341 /nfs/dbraw/zinc/39/53/41/370395341.db2.gz NTUMIDKEYFIIML-SNVBAGLBSA-N 2 2 250.350 0.371 20 0 CCADLP CC[N@@H+](C)C[C@H]1CCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000631136540 370395344 /nfs/dbraw/zinc/39/53/44/370395344.db2.gz NTUMIDKEYFIIML-SNVBAGLBSA-N 2 2 250.350 0.371 20 0 CCADLP CC[N@H+](C)C[C@H]1CCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000631136540 370395348 /nfs/dbraw/zinc/39/53/48/370395348.db2.gz NTUMIDKEYFIIML-SNVBAGLBSA-N 2 2 250.350 0.371 20 0 CCADLP CC[N@@H+](C)C[C@H]1CCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000631136540 370395351 /nfs/dbraw/zinc/39/53/51/370395351.db2.gz NTUMIDKEYFIIML-SNVBAGLBSA-N 2 2 250.350 0.371 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000631136331 370396005 /nfs/dbraw/zinc/39/60/05/370396005.db2.gz TYZCJJNURJICPU-NSHDSACASA-N 2 2 264.377 0.761 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000631136331 370396009 /nfs/dbraw/zinc/39/60/09/370396009.db2.gz TYZCJJNURJICPU-NSHDSACASA-N 2 2 264.377 0.761 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000631136331 370396015 /nfs/dbraw/zinc/39/60/15/370396015.db2.gz TYZCJJNURJICPU-NSHDSACASA-N 2 2 264.377 0.761 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000631136331 370396021 /nfs/dbraw/zinc/39/60/21/370396021.db2.gz TYZCJJNURJICPU-NSHDSACASA-N 2 2 264.377 0.761 20 0 CCADLP O=c1ccc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)c[nH]1 ZINC000631146967 370400513 /nfs/dbraw/zinc/40/05/13/370400513.db2.gz MTNFUSTZUDJVLV-CYBMUJFWSA-N 2 2 265.357 0.724 20 0 CCADLP O=c1ccc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c[nH]1 ZINC000631146967 370400519 /nfs/dbraw/zinc/40/05/19/370400519.db2.gz MTNFUSTZUDJVLV-CYBMUJFWSA-N 2 2 265.357 0.724 20 0 CCADLP Cc1nc(NC2CC[NH+]([C@H]3CCOC3)CC2)nc(N)[nH+]1 ZINC000631172505 370411274 /nfs/dbraw/zinc/41/12/74/370411274.db2.gz RHXHVBKLKHEYPN-NSHDSACASA-N 2 2 278.360 0.258 20 0 CCADLP Cc1nc(N)nc(NC2CC[NH+]([C@H]3CCOC3)CC2)[nH+]1 ZINC000631172505 370411275 /nfs/dbraw/zinc/41/12/75/370411275.db2.gz RHXHVBKLKHEYPN-NSHDSACASA-N 2 2 278.360 0.258 20 0 CCADLP CCC[N@H+](CC)C[C@@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000631279606 370452628 /nfs/dbraw/zinc/45/26/28/370452628.db2.gz OGGAHOYIMSGMQY-SECBINFHSA-N 2 2 252.366 0.547 20 0 CCADLP CCC[N@@H+](CC)C[C@@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000631279606 370452630 /nfs/dbraw/zinc/45/26/30/370452630.db2.gz OGGAHOYIMSGMQY-SECBINFHSA-N 2 2 252.366 0.547 20 0 CCADLP CC[N@H+](CCNc1nc(C)[nH+]c(N)n1)CCC(F)(F)F ZINC000631245166 370436586 /nfs/dbraw/zinc/43/65/86/370436586.db2.gz IVIGBTGSNKODJO-UHFFFAOYSA-N 2 2 292.309 0.701 20 0 CCADLP CC[N@@H+](CCNc1nc(C)[nH+]c(N)n1)CCC(F)(F)F ZINC000631245166 370436591 /nfs/dbraw/zinc/43/65/91/370436591.db2.gz IVIGBTGSNKODJO-UHFFFAOYSA-N 2 2 292.309 0.701 20 0 CCADLP CN(C)c1cc[nH+]cc1C[NH2+]C1CN(c2ccncn2)C1 ZINC000631256676 370439215 /nfs/dbraw/zinc/43/92/15/370439215.db2.gz HAHYVLCRNNUKBH-UHFFFAOYSA-N 2 2 284.367 0.916 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1nc(C2CC2)no1 ZINC000631444096 370544110 /nfs/dbraw/zinc/54/41/10/370544110.db2.gz YJSKQWZJZODLSS-UHFFFAOYSA-N 2 2 295.387 0.560 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1nc(C2CC2)no1 ZINC000631444096 370544114 /nfs/dbraw/zinc/54/41/14/370544114.db2.gz YJSKQWZJZODLSS-UHFFFAOYSA-N 2 2 295.387 0.560 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCc3ncccc32)CC1 ZINC000631577921 370597803 /nfs/dbraw/zinc/59/78/03/370597803.db2.gz XZNTYADWOXZMJH-HNNXBMFYSA-N 2 2 288.395 0.823 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000633480979 371566741 /nfs/dbraw/zinc/56/67/41/371566741.db2.gz OMSRWXOJPSZXRY-GXTWGEPZSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000633480979 371566747 /nfs/dbraw/zinc/56/67/47/371566747.db2.gz OMSRWXOJPSZXRY-GXTWGEPZSA-N 2 2 294.399 0.551 20 0 CCADLP C[NH+]1CCN(CCn2cc(C[NH+]3CCCC3)nn2)CC1 ZINC000656437954 412793075 /nfs/dbraw/zinc/79/30/75/412793075.db2.gz QMKALFMLZXZUCT-UHFFFAOYSA-N 2 2 278.404 0.121 20 0 CCADLP COC(=O)C[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000337342002 214018411 /nfs/dbraw/zinc/01/84/11/214018411.db2.gz VISCYPQSRPMAKF-UHFFFAOYSA-N 2 2 271.405 0.507 20 0 CCADLP COC(=O)C[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000337342002 214018413 /nfs/dbraw/zinc/01/84/13/214018413.db2.gz VISCYPQSRPMAKF-UHFFFAOYSA-N 2 2 271.405 0.507 20 0 CCADLP Cc1cc(N2CC[N@@H+](C)C[C@@H]2CO)nc(C2CC2)[nH+]1 ZINC000634801849 372242888 /nfs/dbraw/zinc/24/28/88/372242888.db2.gz NUTSEOKUQNRGQT-GFCCVEGCSA-N 2 2 262.357 0.775 20 0 CCADLP Cc1cc(N2CC[N@H+](C)C[C@@H]2CO)nc(C2CC2)[nH+]1 ZINC000634801849 372242892 /nfs/dbraw/zinc/24/28/92/372242892.db2.gz NUTSEOKUQNRGQT-GFCCVEGCSA-N 2 2 262.357 0.775 20 0 CCADLP Cc1nc(N2CC[N@@H+](C)C[C@H]2CO)c2c([nH+]1)CCCC2 ZINC000634802043 372244891 /nfs/dbraw/zinc/24/48/91/372244891.db2.gz VAQYYRGAKHSQJM-LBPRGKRZSA-N 2 2 276.384 0.777 20 0 CCADLP Cc1nc(N2CC[N@H+](C)C[C@H]2CO)c2c([nH+]1)CCCC2 ZINC000634802043 372244892 /nfs/dbraw/zinc/24/48/92/372244892.db2.gz VAQYYRGAKHSQJM-LBPRGKRZSA-N 2 2 276.384 0.777 20 0 CCADLP Nc1nc(-n2cccn2)cc(N2CCC[C@H]3C[NH2+]C[C@H]32)[nH+]1 ZINC000634810894 372254949 /nfs/dbraw/zinc/25/49/49/372254949.db2.gz LYUKFKRJJVUOOA-WDEREUQCSA-N 2 2 285.355 0.263 20 0 CCADLP Cn1ncc2c1nc(N)[nH+]c2N1CCC(CC[NH3+])CC1 ZINC000634811414 372255040 /nfs/dbraw/zinc/25/50/40/372255040.db2.gz DXNAVWRGLXXIED-UHFFFAOYSA-N 2 2 275.360 0.341 20 0 CCADLP CN(c1cc(-n2cc[nH+]c2)ncn1)[C@H](C[NH3+])C1CC1 ZINC000634811329 372255203 /nfs/dbraw/zinc/25/52/03/372255203.db2.gz BGCWXPJNDWJMRF-LLVKDONJSA-N 2 2 258.329 0.836 20 0 CCADLP Cc1nc(N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc[nH+]1 ZINC000634811058 372255360 /nfs/dbraw/zinc/25/53/60/372255360.db2.gz RLYBKDAJLYEUKJ-GFCCVEGCSA-N 2 2 273.344 0.677 20 0 CCADLP Cn1ncc2c1nc(N)[nH+]c2N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634813317 372257180 /nfs/dbraw/zinc/25/71/80/372257180.db2.gz GUMPVENCRDSORW-VIFPVBQESA-N 2 2 289.387 0.966 20 0 CCADLP C[NH+]1CCN(c2ccc(NCc3ccon3)[nH+]c2)CC1 ZINC000634954905 372309887 /nfs/dbraw/zinc/30/98/87/372309887.db2.gz QSTXFWOXAAVEEI-UHFFFAOYSA-N 2 2 273.340 0.855 20 0 CCADLP COCCO[C@@H]1C[C@H](CO)C[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634994985 372331108 /nfs/dbraw/zinc/33/11/08/372331108.db2.gz RLAPVEMJIINQEX-FGZQJIAISA-N 2 2 284.400 0.084 20 0 CCADLP COCCO[C@@H]1C[C@H](CO)C[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634994985 372331115 /nfs/dbraw/zinc/33/11/15/372331115.db2.gz RLAPVEMJIINQEX-FGZQJIAISA-N 2 2 284.400 0.084 20 0 CCADLP C[C@H](C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[NH+](C)C ZINC000635115766 372377178 /nfs/dbraw/zinc/37/71/78/372377178.db2.gz JRQWZXUMXKOCQV-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C[C@@H]2CC[NH+](C)C2)CCO1 ZINC000635465396 372534466 /nfs/dbraw/zinc/53/44/66/372534466.db2.gz MVINMQMNGQMARK-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C[C@@H]2CC[NH+](C)C2)CCO1 ZINC000635465396 372534477 /nfs/dbraw/zinc/53/44/77/372534477.db2.gz MVINMQMNGQMARK-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CCO1 ZINC000635465396 372534487 /nfs/dbraw/zinc/53/44/87/372534487.db2.gz MVINMQMNGQMARK-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC000635465396 372534496 /nfs/dbraw/zinc/53/44/96/372534496.db2.gz MVINMQMNGQMARK-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H](C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)[NH+](C)C ZINC000635494554 372560980 /nfs/dbraw/zinc/56/09/80/372560980.db2.gz DWMBDBVKYGJRDH-NEPJUHHUSA-N 2 2 250.346 0.997 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@@H]2CCC[N@H+](CCOC)C2)[nH+]1 ZINC000635531159 372591564 /nfs/dbraw/zinc/59/15/64/372591564.db2.gz PBXBDQDXQNNJKI-CYBMUJFWSA-N 2 2 294.399 0.742 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@@H]2CCC[N@@H+](CCOC)C2)[nH+]1 ZINC000635531159 372591572 /nfs/dbraw/zinc/59/15/72/372591572.db2.gz PBXBDQDXQNNJKI-CYBMUJFWSA-N 2 2 294.399 0.742 20 0 CCADLP CCc1c[nH]c(CC(=O)NCCN2CC[NH+](CC)CC2)[nH+]1 ZINC000635556783 372624317 /nfs/dbraw/zinc/62/43/17/372624317.db2.gz VELXXRWDVTTYMC-UHFFFAOYSA-N 2 2 293.415 0.268 20 0 CCADLP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)Cn1cc[nH+]c1 ZINC000635592455 372665009 /nfs/dbraw/zinc/66/50/09/372665009.db2.gz MNJLSRKUVGLVNK-OLZOCXBDSA-N 2 2 264.373 0.977 20 0 CCADLP C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)Cn1cc[nH+]c1 ZINC000635592455 372665012 /nfs/dbraw/zinc/66/50/12/372665012.db2.gz MNJLSRKUVGLVNK-OLZOCXBDSA-N 2 2 264.373 0.977 20 0 CCADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC000072858401 284348298 /nfs/dbraw/zinc/34/82/98/284348298.db2.gz CJTUKXJMOKMTNL-RYUDHWBXSA-N 2 2 296.415 0.637 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC000072858401 284348300 /nfs/dbraw/zinc/34/83/00/284348300.db2.gz CJTUKXJMOKMTNL-RYUDHWBXSA-N 2 2 296.415 0.637 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC000072858401 284348302 /nfs/dbraw/zinc/34/83/02/284348302.db2.gz CJTUKXJMOKMTNL-RYUDHWBXSA-N 2 2 296.415 0.637 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC000072858401 284348305 /nfs/dbraw/zinc/34/83/05/284348305.db2.gz CJTUKXJMOKMTNL-RYUDHWBXSA-N 2 2 296.415 0.637 20 0 CCADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC000072858389 284348390 /nfs/dbraw/zinc/34/83/90/284348390.db2.gz ALADOYVMVIZEFQ-STQMWFEESA-N 2 2 298.431 0.883 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC000072858389 284348391 /nfs/dbraw/zinc/34/83/91/284348391.db2.gz ALADOYVMVIZEFQ-STQMWFEESA-N 2 2 298.431 0.883 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC000072858389 284348392 /nfs/dbraw/zinc/34/83/92/284348392.db2.gz ALADOYVMVIZEFQ-STQMWFEESA-N 2 2 298.431 0.883 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC000072858389 284348393 /nfs/dbraw/zinc/34/83/93/284348393.db2.gz ALADOYVMVIZEFQ-STQMWFEESA-N 2 2 298.431 0.883 20 0 CCADLP Cc1cc(N2CC[C@@H]([NH2+][C@H](C)[C@@H]3CCC[NH2+]3)C2=O)n(C)n1 ZINC000333277789 205177073 /nfs/dbraw/zinc/17/70/73/205177073.db2.gz LVCKLBMNJXCRKD-FRRDWIJNSA-N 2 2 291.399 0.564 20 0 CCADLP C[C@H]1[NH2+]CCC[C@H]1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000333394539 205282733 /nfs/dbraw/zinc/28/27/33/205282733.db2.gz PGBCLQMKFSMDAC-CHWSQXEVSA-N 2 2 298.431 0.537 20 0 CCADLP C[C@H](NC(=O)NC[C@H]1CCC[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000333396812 205286062 /nfs/dbraw/zinc/28/60/62/205286062.db2.gz PKWCBKJKDWAWMZ-IHRRRGAJSA-N 2 2 298.431 0.394 20 0 CCADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 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C[NH+](C)CCC[NH+](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000636171959 373428851 /nfs/dbraw/zinc/42/88/51/373428851.db2.gz RBCITCISSALJPW-AWEZNQCLSA-N 3 2 284.448 0.328 20 0 CCADLP C[NH+](C)CCC[NH+](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000636171959 373428858 /nfs/dbraw/zinc/42/88/58/373428858.db2.gz RBCITCISSALJPW-AWEZNQCLSA-N 3 2 284.448 0.328 20 0 CCADLP C[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)c1[nH+]ccn1C ZINC000636212471 373458210 /nfs/dbraw/zinc/45/82/10/373458210.db2.gz YURTVWRLNNLLAV-LBPRGKRZSA-N 2 2 294.399 0.956 20 0 CCADLP C[N@H+](CCNC(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000636776241 373751344 /nfs/dbraw/zinc/75/13/44/373751344.db2.gz DVAONYDBFCTIJZ-JTQLQIEISA-N 2 2 263.345 0.201 20 0 CCADLP C[N@@H+](CCNC(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000636776241 373751350 /nfs/dbraw/zinc/75/13/50/373751350.db2.gz DVAONYDBFCTIJZ-JTQLQIEISA-N 2 2 263.345 0.201 20 0 CCADLP C[C@@H](CNC(=O)N[C@H]1Cc2c[nH+]cn2C1)[NH+](C)C ZINC000637195511 373994771 /nfs/dbraw/zinc/99/47/71/373994771.db2.gz 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374807230 /nfs/dbraw/zinc/80/72/30/374807230.db2.gz WHVDWBHHLMXEKL-LLVKDONJSA-N 2 2 250.346 0.848 20 0 CCADLP Cc1cn2ccc(C(=O)NC[C@H]3C[NH2+]CCCO3)cc2[nH+]1 ZINC000638268206 374868248 /nfs/dbraw/zinc/86/82/48/374868248.db2.gz XKOUIGDEXJZZHX-CYBMUJFWSA-N 2 2 288.351 0.751 20 0 CCADLP COCC[N@@H+]1CCCN(C(=O)c2oc(C[NH3+])cc2C)CC1 ZINC000638274439 374878176 /nfs/dbraw/zinc/87/81/76/374878176.db2.gz OLENQYONTLEKKI-UHFFFAOYSA-N 2 2 295.383 0.841 20 0 CCADLP COCC[N@H+]1CCCN(C(=O)c2oc(C[NH3+])cc2C)CC1 ZINC000638274439 374878187 /nfs/dbraw/zinc/87/81/87/374878187.db2.gz OLENQYONTLEKKI-UHFFFAOYSA-N 2 2 295.383 0.841 20 0 CCADLP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638280351 374885396 /nfs/dbraw/zinc/88/53/96/374885396.db2.gz DOYHEZCJAAVJJW-STQMWFEESA-N 2 2 298.431 0.043 20 0 CCADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638280351 374885402 /nfs/dbraw/zinc/88/54/02/374885402.db2.gz DOYHEZCJAAVJJW-STQMWFEESA-N 2 2 298.431 0.043 20 0 CCADLP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638280350 374885551 /nfs/dbraw/zinc/88/55/51/374885551.db2.gz DOYHEZCJAAVJJW-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000638280350 374885553 /nfs/dbraw/zinc/88/55/53/374885553.db2.gz DOYHEZCJAAVJJW-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(-n2cc[nH+]c2)ccc1O ZINC000638243049 374834876 /nfs/dbraw/zinc/83/48/76/374834876.db2.gz JUFDPLPSMCEPSH-IMRBUKKESA-N 2 2 284.319 0.526 20 0 CCADLP C[NH2+]Cc1ccc(NC(=O)[C@H](C)N2CC[NH2+]CC2=O)cc1 ZINC000638253998 374849814 /nfs/dbraw/zinc/84/98/14/374849814.db2.gz BZVFDRSWHFVCIH-NSHDSACASA-N 2 2 290.367 0.165 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000638337137 374938337 /nfs/dbraw/zinc/93/83/37/374938337.db2.gz OHSYBVRWSGRJHK-NOZJJQNGSA-N 2 2 250.346 0.704 20 0 CCADLP CCn1ncnc1C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000638351364 374949049 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C[NH2+]CCOCCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000638592514 375172722 /nfs/dbraw/zinc/17/27/22/375172722.db2.gz FQNFLBKOGKCOJO-LBPRGKRZSA-N 2 2 280.372 0.140 20 0 CCADLP C[C@@H]1CC(F)(F)CCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000638630912 375235049 /nfs/dbraw/zinc/23/50/49/375235049.db2.gz OVBJNTXCPHVYHW-ZJUUUORDSA-N 2 2 263.332 0.912 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)nn2)C[NH2+]1 ZINC000638644815 375249703 /nfs/dbraw/zinc/24/97/03/375249703.db2.gz SJYALORKIPAUBK-QWRGUYRKSA-N 2 2 286.339 0.533 20 0 CCADLP CCC[N@H+](CC)CCNCc1c[nH+]c(N)nc1N ZINC000638720574 375319999 /nfs/dbraw/zinc/31/99/99/375319999.db2.gz KGZIGAUOIAFPGK-UHFFFAOYSA-N 2 2 252.366 0.123 20 0 CCADLP CCC[N@@H+](CC)CCNCc1c[nH+]c(N)nc1N ZINC000638720574 375320004 /nfs/dbraw/zinc/32/00/04/375320004.db2.gz KGZIGAUOIAFPGK-UHFFFAOYSA-N 2 2 252.366 0.123 20 0 CCADLP Cc1cccn2cc(CC(=O)NCCOCCC[NH3+])[nH+]c12 ZINC000638661509 375264993 /nfs/dbraw/zinc/26/49/93/375264993.db2.gz SLYIELWUNBHRHF-UHFFFAOYSA-N 2 2 290.367 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CO[C@@]1(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CCOC1 ZINC000639301556 375711265 /nfs/dbraw/zinc/71/12/65/375711265.db2.gz GZSHMNMFXACPDW-HZPDHXFCSA-N 2 2 298.427 0.979 20 0 CCADLP CO[C@@]1(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CCOC1 ZINC000639301556 375711268 /nfs/dbraw/zinc/71/12/68/375711268.db2.gz GZSHMNMFXACPDW-HZPDHXFCSA-N 2 2 298.427 0.979 20 0 CCADLP OCc1ccc(C[NH2+]CC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000639357638 375757051 /nfs/dbraw/zinc/75/70/51/375757051.db2.gz QJNVCTSJHQYEMB-AWEZNQCLSA-N 2 2 250.342 0.335 20 0 CCADLP OCc1ccc(C[NH2+]CC[N@H+]2CC[C@H](O)C2)cc1 ZINC000639357638 375757052 /nfs/dbraw/zinc/75/70/52/375757052.db2.gz QJNVCTSJHQYEMB-AWEZNQCLSA-N 2 2 250.342 0.335 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000639543473 375828619 /nfs/dbraw/zinc/82/86/19/375828619.db2.gz HLDQWEQDZNPSMD-UHFFFAOYSA-N 2 2 291.399 0.842 20 0 CCADLP C[C@@H]1OCC[C@@H]1C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000639547500 375830755 /nfs/dbraw/zinc/83/07/55/375830755.db2.gz WZVGEFBQNYHTLA-GUTXKFCHSA-N 2 2 295.427 0.826 20 0 CCADLP C[C@@H]1OCC[C@@H]1C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000639547500 375830757 /nfs/dbraw/zinc/83/07/57/375830757.db2.gz WZVGEFBQNYHTLA-GUTXKFCHSA-N 2 2 295.427 0.826 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000639551316 375832252 /nfs/dbraw/zinc/83/22/52/375832252.db2.gz LWRVLENUKFNEAJ-UHFFFAOYSA-N 3 2 279.432 0.532 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000639551316 375832255 /nfs/dbraw/zinc/83/22/55/375832255.db2.gz LWRVLENUKFNEAJ-UHFFFAOYSA-N 3 2 279.432 0.532 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000639654057 375888946 /nfs/dbraw/zinc/88/89/46/375888946.db2.gz FUQSXEAWPUTEIG-LBPRGKRZSA-N 2 2 285.413 0.719 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000639654057 375888955 /nfs/dbraw/zinc/88/89/55/375888955.db2.gz FUQSXEAWPUTEIG-LBPRGKRZSA-N 2 2 285.413 0.719 20 0 CCADLP CC[NH+]1CCN(CC(C)(C)[NH2+]CCc2c[nH+]cn2C)CC1 ZINC000639669206 375899816 /nfs/dbraw/zinc/89/98/16/375899816.db2.gz XUOFNUNXHYZCQU-UHFFFAOYSA-N 3 2 293.459 0.968 20 0 CCADLP Cn1[nH]c(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)nc1=O ZINC000639706226 375932524 /nfs/dbraw/zinc/93/25/24/375932524.db2.gz XAWMHXPQDBBUJG-UHFFFAOYSA-N 2 2 288.355 0.216 20 0 CCADLP Cn1[nH]c(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)nc1=O ZINC000639706226 375932533 /nfs/dbraw/zinc/93/25/33/375932533.db2.gz XAWMHXPQDBBUJG-UHFFFAOYSA-N 2 2 288.355 0.216 20 0 CCADLP O=c1cc([C@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)[nH]c(=O)[nH]1 ZINC000639714706 375940737 /nfs/dbraw/zinc/94/07/37/375940737.db2.gz BHHLDTJBLLHVSC-NSHDSACASA-N 2 2 289.339 0.964 20 0 CCADLP O=c1cc([C@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)[nH]c(=O)[nH]1 ZINC000639714706 375940739 /nfs/dbraw/zinc/94/07/39/375940739.db2.gz BHHLDTJBLLHVSC-NSHDSACASA-N 2 2 289.339 0.964 20 0 CCADLP Cc1nn(C)cc1C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764951 375993598 /nfs/dbraw/zinc/99/35/98/375993598.db2.gz YIHSFGWBVRRDHK-CQSZACIVSA-N 2 2 266.389 0.617 20 0 CCADLP Cc1nn(C)cc1C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764951 375993605 /nfs/dbraw/zinc/99/36/05/375993605.db2.gz YIHSFGWBVRRDHK-CQSZACIVSA-N 2 2 266.389 0.617 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCOCC(F)F)C1 ZINC000639767400 375997064 /nfs/dbraw/zinc/99/70/64/375997064.db2.gz QXQMTXVNTAIAGP-GFCCVEGCSA-N 2 2 266.332 0.657 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCOCC(F)F)C1 ZINC000639767400 375997071 /nfs/dbraw/zinc/99/70/71/375997071.db2.gz QXQMTXVNTAIAGP-GFCCVEGCSA-N 2 2 266.332 0.657 20 0 CCADLP Cc1cc(C)n(CC[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)n1 ZINC000639767832 375999205 /nfs/dbraw/zinc/99/92/05/375999205.db2.gz TYYXMTIKOQTFHP-HNNXBMFYSA-N 2 2 280.416 0.888 20 0 CCADLP Cc1cc(C)n(CC[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)n1 ZINC000639767832 375999211 /nfs/dbraw/zinc/99/92/11/375999211.db2.gz TYYXMTIKOQTFHP-HNNXBMFYSA-N 2 2 280.416 0.888 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000639769668 376002018 /nfs/dbraw/zinc/00/20/18/376002018.db2.gz ZTKJETHVXVTYRQ-VHSXEESVSA-N 2 2 270.295 0.298 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000639769668 376002026 /nfs/dbraw/zinc/00/20/26/376002026.db2.gz ZTKJETHVXVTYRQ-VHSXEESVSA-N 2 2 270.295 0.298 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccccc1CC[NH3+] ZINC000070551960 284555131 /nfs/dbraw/zinc/55/51/31/284555131.db2.gz HZLLBTDFFUCBTR-ZDUSSCGKSA-N 2 2 291.395 0.638 20 0 CCADLP CCO[C@H](C[N@H+](C)CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000640060311 376222237 /nfs/dbraw/zinc/22/22/37/376222237.db2.gz GSAVXVIMHMGVNO-CQSZACIVSA-N 2 2 283.416 0.507 20 0 CCADLP CCO[C@H](C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000640060311 376222239 /nfs/dbraw/zinc/22/22/39/376222239.db2.gz GSAVXVIMHMGVNO-CQSZACIVSA-N 2 2 283.416 0.507 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)CC2 ZINC000640923907 376618084 /nfs/dbraw/zinc/61/80/84/376618084.db2.gz SYKNYNTTZYFXAS-JQWIXIFHSA-N 2 2 277.372 0.715 20 0 CCADLP COCC[NH2+]CCc1cn(Cc2ccc[nH+]c2C)nn1 ZINC000641052674 376719066 /nfs/dbraw/zinc/71/90/66/376719066.db2.gz VHICAWLDKOTNBT-UHFFFAOYSA-N 2 2 275.356 0.808 20 0 CCADLP c1cn(CCCn2cc(CC[NH+]3CCOCC3)nn2)c[nH+]1 ZINC000641054925 376721692 /nfs/dbraw/zinc/72/16/92/376721692.db2.gz IVAZAMLQKWBMDF-UHFFFAOYSA-N 2 2 290.371 0.440 20 0 CCADLP COCC[C@@H]([NH3+])Cc1cn(Cc2cc(OC)cc[nH+]2)nn1 ZINC000641030796 376687098 /nfs/dbraw/zinc/68/70/98/376687098.db2.gz KOMAYWSURWTMEW-LLVKDONJSA-N 2 2 291.355 0.636 20 0 CCADLP COc1cc[nH+]c(Cn2cc([C@H]([NH3+])[C@H]3CCCO3)nn2)c1 ZINC000641031181 376688835 /nfs/dbraw/zinc/68/88/35/376688835.db2.gz WINPYUDPVXRNJZ-KGLIPLIRSA-N 2 2 289.339 0.909 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000264475443 190112430 /nfs/dbraw/zinc/11/24/30/190112430.db2.gz MHBNXUMYBLLTJW-STQMWFEESA-N 2 2 295.387 0.292 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000264475443 190112431 /nfs/dbraw/zinc/11/24/31/190112431.db2.gz MHBNXUMYBLLTJW-STQMWFEESA-N 2 2 295.387 0.292 20 0 CCADLP COCC[C@H]([NH3+])Cc1cn(Cc2ccc[nH+]c2C)nn1 ZINC000641052042 376717079 /nfs/dbraw/zinc/71/70/79/376717079.db2.gz PMVMBKBNHCEMPS-ZDUSSCGKSA-N 2 2 275.356 0.936 20 0 CCADLP COCC[C@@H]([NH3+])Cc1cn(Cc2ccc[nH+]c2C)nn1 ZINC000641052040 376717591 /nfs/dbraw/zinc/71/75/91/376717591.db2.gz PMVMBKBNHCEMPS-CYBMUJFWSA-N 2 2 275.356 0.936 20 0 CCADLP OC[C@@H]1CCC[N@@H+]1Cc1cn(CCn2cc[nH+]c2)nn1 ZINC000641123473 376797695 /nfs/dbraw/zinc/79/76/95/376797695.db2.gz MBJCKGRRMMMYJP-ZDUSSCGKSA-N 2 2 276.344 0.132 20 0 CCADLP OC[C@@H]1CCC[N@H+]1Cc1cn(CCn2cc[nH+]c2)nn1 ZINC000641123473 376797702 /nfs/dbraw/zinc/79/77/02/376797702.db2.gz MBJCKGRRMMMYJP-ZDUSSCGKSA-N 2 2 276.344 0.132 20 0 CCADLP COc1cc[nH+]cc1Cn1cc(Cn2cc(C[NH3+])cn2)nn1 ZINC000641169015 376836733 /nfs/dbraw/zinc/83/67/33/376836733.db2.gz ROFSOXDSTIHHEY-UHFFFAOYSA-N 2 2 299.338 0.434 20 0 CCADLP COC[C@H]([NH3+])Cc1cn(Cc2c[nH+]ccc2OC)nn1 ZINC000641168818 376837071 /nfs/dbraw/zinc/83/70/71/376837071.db2.gz PMOMAGUFLMPIRZ-LLVKDONJSA-N 2 2 277.328 0.246 20 0 CCADLP C[N@@H+]1C[C@@H]2CCCN(S(=O)(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC000641542613 377246021 /nfs/dbraw/zinc/24/60/21/377246021.db2.gz HKKVXIZMHHBMHC-QWHCGFSZSA-N 2 2 298.412 0.239 20 0 CCADLP C[N@H+]1C[C@@H]2CCCN(S(=O)(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC000641542613 377246025 /nfs/dbraw/zinc/24/60/25/377246025.db2.gz HKKVXIZMHHBMHC-QWHCGFSZSA-N 2 2 298.412 0.239 20 0 CCADLP c1cn(-c2cc(NC[C@@H]3CSCC[NH2+]3)ncn2)c[nH+]1 ZINC000641687229 377388485 /nfs/dbraw/zinc/38/84/85/377388485.db2.gz KQPNGUBZNLSZPF-SNVBAGLBSA-N 2 2 276.369 0.779 20 0 CCADLP Cn1c[nH+]cc1CCn1cc[nH+]c1CN1CCOCC1 ZINC000641726124 377424319 /nfs/dbraw/zinc/42/43/19/377424319.db2.gz NWUUEKJRRYZLRO-UHFFFAOYSA-N 2 2 275.356 0.692 20 0 CCADLP CCn1nnc(C)c1C[NH2+][C@@H](CO)CC[NH+](CC)CC ZINC000641770317 377453271 /nfs/dbraw/zinc/45/32/71/377453271.db2.gz MZKCRNNYHICKPG-CYBMUJFWSA-N 2 2 283.420 0.789 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1cnc(C)nc1 ZINC000641771445 377455260 /nfs/dbraw/zinc/45/52/60/377455260.db2.gz IQPOWEHXIWABCK-CQSZACIVSA-N 2 2 266.389 0.967 20 0 CCADLP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641788364 377463696 /nfs/dbraw/zinc/46/36/96/377463696.db2.gz YYIISAGLJWZSPS-XHSDSOJGSA-N 2 2 297.443 0.550 20 0 CCADLP CC1(C)[C@H]([NH2+]Cc2cc(=O)n3[nH]ccc3n2)C[C@@H]1[NH3+] ZINC000641801911 377470904 /nfs/dbraw/zinc/47/09/04/377470904.db2.gz GREYZZPZQXEEAC-VHSXEESVSA-N 2 2 261.329 0.238 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCN2C(=O)CCC2=O)[C@H]1C ZINC000641805242 377477206 /nfs/dbraw/zinc/47/72/06/377477206.db2.gz FADRDKGOLXVXBZ-WOPDTQHZSA-N 2 2 267.373 0.583 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCN2C(=O)CCC2=O)[C@H]1C ZINC000641805242 377477212 /nfs/dbraw/zinc/47/72/12/377477212.db2.gz FADRDKGOLXVXBZ-WOPDTQHZSA-N 2 2 267.373 0.583 20 0 CCADLP CCCCn1nnnc1C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641806430 377479066 /nfs/dbraw/zinc/47/90/66/377479066.db2.gz PKRSHMQYCRIMRY-VHSXEESVSA-N 2 2 252.366 0.689 20 0 CCADLP C[C@@H]1CC[C@H](CN)[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H]1C ZINC000641809832 377482220 /nfs/dbraw/zinc/48/22/20/377482220.db2.gz SJMVOMHAQYQCBK-QLFBSQMISA-N 2 2 296.459 0.598 20 0 CCADLP C[C@@H]1CC[C@H](CN)[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H]1C ZINC000641809832 377482229 /nfs/dbraw/zinc/48/22/29/377482229.db2.gz SJMVOMHAQYQCBK-QLFBSQMISA-N 2 2 296.459 0.598 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])N(CCC(=O)N2CC[NH+](C)CC2)[C@H]1C ZINC000641809832 377482235 /nfs/dbraw/zinc/48/22/35/377482235.db2.gz SJMVOMHAQYQCBK-QLFBSQMISA-N 2 2 296.459 0.598 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C[NH+]1CCCC1 ZINC000422967212 249011456 /nfs/dbraw/zinc/01/14/56/249011456.db2.gz BQUKSZIEBLRTON-KLHDSHLOSA-N 3 2 281.444 0.953 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@@H](c1ccco1)[NH+](C)C ZINC000422964716 249011638 /nfs/dbraw/zinc/01/16/38/249011638.db2.gz MPHNJLBLRZSLQR-MBNYWOFBSA-N 2 2 295.383 0.766 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@H](c1ccco1)[NH+](C)C ZINC000422964719 249011895 /nfs/dbraw/zinc/01/18/95/249011895.db2.gz MPHNJLBLRZSLQR-YRGRVCCFSA-N 2 2 295.383 0.766 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@@H+]2CCC[C@@H](C[NH3+])C2)n1 ZINC000430665380 249022783 /nfs/dbraw/zinc/02/27/83/249022783.db2.gz MQJRTCATEYTMTD-JTQLQIEISA-N 2 2 250.346 0.915 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@H+]2CCC[C@@H](C[NH3+])C2)n1 ZINC000430665380 249022786 /nfs/dbraw/zinc/02/27/86/249022786.db2.gz MQJRTCATEYTMTD-JTQLQIEISA-N 2 2 250.346 0.915 20 0 CCADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N=c1ccn(CC[NH+](C)C)[nH]1 ZINC000352795456 249006561 /nfs/dbraw/zinc/00/65/61/249006561.db2.gz JXXWBPIZHLZTOY-CYBMUJFWSA-N 2 2 295.431 0.972 20 0 CCADLP Cn1c[nH+]c(CC[NH2+]CCN2C(=O)c3ccccc3C2=O)c1 ZINC000459663447 249050796 /nfs/dbraw/zinc/05/07/96/249050796.db2.gz OQQNUTNAVGMKCI-UHFFFAOYSA-N 2 2 298.346 0.848 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccn(C)n2)CC1 ZINC000459769847 249061574 /nfs/dbraw/zinc/06/15/74/249061574.db2.gz AMZKLUQQNYJGHX-CHWSQXEVSA-N 2 2 293.415 0.623 20 0 CCADLP C[N@@H+]1CCC[C@@H](NC(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000642056304 377534755 /nfs/dbraw/zinc/53/47/55/377534755.db2.gz HHJHQLFMSHYONA-LLVKDONJSA-N 2 2 263.345 0.503 20 0 CCADLP C[N@H+]1CCC[C@@H](NC(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000642056304 377534759 /nfs/dbraw/zinc/53/47/59/377534759.db2.gz HHJHQLFMSHYONA-LLVKDONJSA-N 2 2 263.345 0.503 20 0 CCADLP C[C@H]1C[C@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CO1 ZINC000514859962 249107788 /nfs/dbraw/zinc/10/77/88/249107788.db2.gz UFAIOBHSINTKDE-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP Cc1ccccc1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000516165996 249152261 /nfs/dbraw/zinc/15/22/61/249152261.db2.gz MMZANSKJLQHBFA-CQSZACIVSA-N 2 2 276.384 0.779 20 0 CCADLP Cc1ccccc1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000516165996 249152264 /nfs/dbraw/zinc/15/22/64/249152264.db2.gz MMZANSKJLQHBFA-CQSZACIVSA-N 2 2 276.384 0.779 20 0 CCADLP C[C@@H](C(=O)NC[C@@H]1CCc2[nH+]ccn2C1)[NH+]1CC(C)C1 ZINC000516980584 249196008 /nfs/dbraw/zinc/19/60/08/249196008.db2.gz ZVGONPJZUOJNKZ-STQMWFEESA-N 2 2 276.384 0.902 20 0 CCADLP C[NH2+]CCSCC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000517137733 249204166 /nfs/dbraw/zinc/20/41/66/249204166.db2.gz PCYPITSIQRIZHD-UHFFFAOYSA-N 2 2 289.445 0.166 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000517934038 249235200 /nfs/dbraw/zinc/23/52/00/249235200.db2.gz PNHSFFWEVHXZNF-GHMZBOCLSA-N 2 2 286.339 0.390 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@H](CO)Cc1ccc(O)cc1)C1CC1 ZINC000518184496 249242035 /nfs/dbraw/zinc/24/20/35/249242035.db2.gz CUOZOXOFGVFBQM-BBRMVZONSA-N 2 2 294.395 0.340 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H](CO)Cc1ccc(O)cc1)C1CC1 ZINC000518184496 249242037 /nfs/dbraw/zinc/24/20/37/249242037.db2.gz CUOZOXOFGVFBQM-BBRMVZONSA-N 2 2 294.395 0.340 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2C2(O)CC2)CC1 ZINC000518331916 249245366 /nfs/dbraw/zinc/24/53/66/249245366.db2.gz USUUJEGGAAHZFU-CYBMUJFWSA-N 2 2 281.400 0.140 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@H]2C2(O)CC2)CC1 ZINC000518331916 249245369 /nfs/dbraw/zinc/24/53/69/249245369.db2.gz USUUJEGGAAHZFU-CYBMUJFWSA-N 2 2 281.400 0.140 20 0 CCADLP C[C@H]1CCN(c2ncnc3c2C[N@H+](C)CC3)C[C@@H]1C[NH3+] ZINC000643052332 377706050 /nfs/dbraw/zinc/70/60/50/377706050.db2.gz SSSJNSMPNHREKK-RYUDHWBXSA-N 2 2 275.400 0.886 20 0 CCADLP C[C@H]1CCN(c2ncnc3c2C[N@@H+](C)CC3)C[C@@H]1C[NH3+] ZINC000643052332 377706063 /nfs/dbraw/zinc/70/60/63/377706063.db2.gz SSSJNSMPNHREKK-RYUDHWBXSA-N 2 2 275.400 0.886 20 0 CCADLP C[C@H]1CCN(c2ncnc3c2C[N@H+](C)CC3)C[C@H]1C[NH3+] ZINC000643052331 377706485 /nfs/dbraw/zinc/70/64/85/377706485.db2.gz SSSJNSMPNHREKK-NWDGAFQWSA-N 2 2 275.400 0.886 20 0 CCADLP C[C@H]1CCN(c2ncnc3c2C[N@@H+](C)CC3)C[C@H]1C[NH3+] ZINC000643052331 377706497 /nfs/dbraw/zinc/70/64/97/377706497.db2.gz SSSJNSMPNHREKK-NWDGAFQWSA-N 2 2 275.400 0.886 20 0 CCADLP CCCCNC(=O)CC[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643065708 377710656 /nfs/dbraw/zinc/71/06/56/377710656.db2.gz FKBHCZYTIYJWGQ-STQMWFEESA-N 2 2 253.390 0.977 20 0 CCADLP CCCCNC(=O)CC[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643065708 377710663 /nfs/dbraw/zinc/71/06/63/377710663.db2.gz FKBHCZYTIYJWGQ-STQMWFEESA-N 2 2 253.390 0.977 20 0 CCADLP Cc1cc(NC(=O)CC[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)no1 ZINC000643066134 377711104 /nfs/dbraw/zinc/71/11/04/377711104.db2.gz KSWYHCKQZPBHGE-NWDGAFQWSA-N 2 2 278.356 0.417 20 0 CCADLP Cc1cc(NC(=O)CC[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)no1 ZINC000643066134 377711111 /nfs/dbraw/zinc/71/11/11/377711111.db2.gz KSWYHCKQZPBHGE-NWDGAFQWSA-N 2 2 278.356 0.417 20 0 CCADLP CC(C)C[C@@H](C[NH3+])NC(=O)[C@H]([NH3+])c1cscn1 ZINC000574683866 335039002 /nfs/dbraw/zinc/03/90/02/335039002.db2.gz CNQUCIRVSODHLV-WCBMZHEXSA-N 2 2 256.375 0.633 20 0 CCADLP C[C@@H](C[NH2+]CCN1C(=O)c2ccccc2C1=O)[NH+](C)C ZINC000278510785 194019254 /nfs/dbraw/zinc/01/92/54/194019254.db2.gz PUWIIEAQFQQLTN-NSHDSACASA-N 2 2 275.352 0.822 20 0 CCADLP O=C1C[N@H+](CCCNc2cc[nH+]cc2Cl)CCN1 ZINC000278670609 194095427 /nfs/dbraw/zinc/09/54/27/194095427.db2.gz GAJINRXXPQKGKV-UHFFFAOYSA-N 2 2 268.748 0.969 20 0 CCADLP O=C1C[N@@H+](CCCNc2cc[nH+]cc2Cl)CCN1 ZINC000278670609 194095429 /nfs/dbraw/zinc/09/54/29/194095429.db2.gz GAJINRXXPQKGKV-UHFFFAOYSA-N 2 2 268.748 0.969 20 0 CCADLP Cc1cc(NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc[nH+]1 ZINC000334822047 207139071 /nfs/dbraw/zinc/13/90/71/207139071.db2.gz ACZAPVLAGJDLNO-SNVBAGLBSA-N 2 2 270.283 0.931 20 0 CCADLP O=C(C[NH2+]Cc1c[nH+]c2n1CCC2)NCc1ccco1 ZINC000657305414 412956895 /nfs/dbraw/zinc/95/68/95/412956895.db2.gz OQBIYWZKIYHDSZ-UHFFFAOYSA-N 2 2 274.324 0.828 20 0 CCADLP Cn1ncc(C2CC2)c1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000657333975 412961257 /nfs/dbraw/zinc/96/12/57/412961257.db2.gz GWIJQORTJBWVIE-UHFFFAOYSA-N 2 2 291.399 0.161 20 0 CCADLP [NH3+]C[C@H]1CN(C(=O)[C@@H]([NH3+])c2c(F)cccc2F)CCO1 ZINC000571325593 291806927 /nfs/dbraw/zinc/80/69/27/291806927.db2.gz UMFGLVLTAVTYED-UFBFGSQYSA-N 2 2 285.294 0.151 20 0 CCADLP COCC[NH+]1CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000413036120 532972048 /nfs/dbraw/zinc/97/20/48/532972048.db2.gz QOEFZFQTNSLBLJ-UHFFFAOYSA-N 2 2 277.372 0.819 20 0 CCADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCS(=O)(=O)C2)C1 ZINC000246203131 285009715 /nfs/dbraw/zinc/00/97/15/285009715.db2.gz VPRKDWLZBHDMBF-RYUDHWBXSA-N 2 2 260.403 0.495 20 0 CCADLP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCS(=O)(=O)C2)C1 ZINC000246203131 285009718 /nfs/dbraw/zinc/00/97/18/285009718.db2.gz VPRKDWLZBHDMBF-RYUDHWBXSA-N 2 2 260.403 0.495 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CCNS(=O)(=O)CC)[C@@H](C)C1 ZINC000246439796 285019665 /nfs/dbraw/zinc/01/96/65/285019665.db2.gz DKKBIEZDHODGAN-STQMWFEESA-N 2 2 291.461 0.588 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CCNS(=O)(=O)CC)[C@@H](C)C1 ZINC000246439796 285019668 /nfs/dbraw/zinc/01/96/68/285019668.db2.gz DKKBIEZDHODGAN-STQMWFEESA-N 2 2 291.461 0.588 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CCNS(=O)(=O)CC)[C@@H](C)C1 ZINC000246439796 285019670 /nfs/dbraw/zinc/01/96/70/285019670.db2.gz DKKBIEZDHODGAN-STQMWFEESA-N 2 2 291.461 0.588 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CCNS(=O)(=O)CC)[C@@H](C)C1 ZINC000246439796 285019672 /nfs/dbraw/zinc/01/96/72/285019672.db2.gz DKKBIEZDHODGAN-STQMWFEESA-N 2 2 291.461 0.588 20 0 CCADLP COCCN1CC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+]2CCO)C1 ZINC000449389082 532981276 /nfs/dbraw/zinc/98/12/76/532981276.db2.gz BWNVUCZKVQKXNW-HUUCEWRRSA-N 2 2 285.432 0.144 20 0 CCADLP COCCN1CC[C@@H]([NH2+]C[C@H]2CCCC[N@H+]2CCO)C1 ZINC000449389082 532981281 /nfs/dbraw/zinc/98/12/81/532981281.db2.gz BWNVUCZKVQKXNW-HUUCEWRRSA-N 2 2 285.432 0.144 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000246929577 285037332 /nfs/dbraw/zinc/03/73/32/285037332.db2.gz SZOJDODQXXCYTC-AVGNSLFASA-N 2 2 298.431 0.883 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000246929577 285037335 /nfs/dbraw/zinc/03/73/35/285037335.db2.gz SZOJDODQXXCYTC-AVGNSLFASA-N 2 2 298.431 0.883 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000246929577 285037336 /nfs/dbraw/zinc/03/73/36/285037336.db2.gz SZOJDODQXXCYTC-AVGNSLFASA-N 2 2 298.431 0.883 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000246929577 285037339 /nfs/dbraw/zinc/03/73/39/285037339.db2.gz SZOJDODQXXCYTC-AVGNSLFASA-N 2 2 298.431 0.883 20 0 CCADLP CS[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1[NH+](C)C ZINC000281051278 195084343 /nfs/dbraw/zinc/08/43/43/195084343.db2.gz BLDGBVMEYCTPTR-STQMWFEESA-N 2 2 296.440 0.857 20 0 CCADLP COCC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C1 ZINC000423259065 285060079 /nfs/dbraw/zinc/06/00/79/285060079.db2.gz NGUNRMDQZZRQHO-KBPBESRZSA-N 3 2 255.406 0.686 20 0 CCADLP COCC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C1 ZINC000423259065 285060080 /nfs/dbraw/zinc/06/00/80/285060080.db2.gz NGUNRMDQZZRQHO-KBPBESRZSA-N 3 2 255.406 0.686 20 0 CCADLP COCC[NH2+]CCNCc1c[nH+]c2c(C)cccn12 ZINC000414867677 533027603 /nfs/dbraw/zinc/02/76/03/533027603.db2.gz CRQCBUGRKLJVQP-UHFFFAOYSA-N 2 2 262.357 0.968 20 0 CCADLP OC[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)C1CCOCC1 ZINC000657433161 412986873 /nfs/dbraw/zinc/98/68/73/412986873.db2.gz VWNVRHBTKPBKPX-ZDUSSCGKSA-N 2 2 265.357 0.706 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000418224130 533078538 /nfs/dbraw/zinc/07/85/38/533078538.db2.gz ZJPNFYZIKSYTHT-GHMZBOCLSA-N 2 2 278.356 0.982 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418220929 533081626 /nfs/dbraw/zinc/08/16/26/533081626.db2.gz VERZLPOYTYBQFK-CMPLNLGQSA-N 2 2 278.356 0.887 20 0 CCADLP CCN(C)C(=O)[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657446101 412991978 /nfs/dbraw/zinc/99/19/78/412991978.db2.gz NMULROGRWWDHIC-SNVBAGLBSA-N 2 2 250.346 0.786 20 0 CCADLP COC[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)C1CC1 ZINC000453262727 533092790 /nfs/dbraw/zinc/09/27/90/533092790.db2.gz KXAFOICDXQVQAD-KGLIPLIRSA-N 2 2 256.390 0.848 20 0 CCADLP COC[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)C1CC1 ZINC000453262727 533092795 /nfs/dbraw/zinc/09/27/95/533092795.db2.gz KXAFOICDXQVQAD-KGLIPLIRSA-N 2 2 256.390 0.848 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCOC[C@@H]1CC(C)C ZINC000574819444 335050217 /nfs/dbraw/zinc/05/02/17/335050217.db2.gz DKSZGVACFALXQG-GJZGRUSLSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCOC[C@@H]1CC(C)C ZINC000574819444 335050219 /nfs/dbraw/zinc/05/02/19/335050219.db2.gz DKSZGVACFALXQG-GJZGRUSLSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCOC[C@@H]1CC(C)C ZINC000574819444 335050220 /nfs/dbraw/zinc/05/02/20/335050220.db2.gz DKSZGVACFALXQG-GJZGRUSLSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCOC[C@@H]1CC(C)C ZINC000574819444 335050222 /nfs/dbraw/zinc/05/02/22/335050222.db2.gz DKSZGVACFALXQG-GJZGRUSLSA-N 2 2 288.432 0.672 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000574816380 335049895 /nfs/dbraw/zinc/04/98/95/335049895.db2.gz KCNBBYNPMBBENE-WCQYABFASA-N 2 2 267.377 0.263 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000574816380 335049896 /nfs/dbraw/zinc/04/98/96/335049896.db2.gz KCNBBYNPMBBENE-WCQYABFASA-N 2 2 267.377 0.263 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000574816380 335049898 /nfs/dbraw/zinc/04/98/98/335049898.db2.gz KCNBBYNPMBBENE-WCQYABFASA-N 2 2 267.377 0.263 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000574816380 335049899 /nfs/dbraw/zinc/04/98/99/335049899.db2.gz KCNBBYNPMBBENE-WCQYABFASA-N 2 2 267.377 0.263 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000574816380 335049900 /nfs/dbraw/zinc/04/99/00/335049900.db2.gz KCNBBYNPMBBENE-WCQYABFASA-N 2 2 267.377 0.263 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cnn(C)c1C ZINC000574820027 335050204 /nfs/dbraw/zinc/05/02/04/335050204.db2.gz NBDCHXWWQDDAOF-WCQYABFASA-N 2 2 284.404 0.318 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cnn(C)c1C ZINC000574820027 335050205 /nfs/dbraw/zinc/05/02/05/335050205.db2.gz NBDCHXWWQDDAOF-WCQYABFASA-N 2 2 284.404 0.318 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2nc(C)no2)C1 ZINC000574867945 335053239 /nfs/dbraw/zinc/05/32/39/335053239.db2.gz IWHNCDBLSXYUDW-CHWSQXEVSA-N 2 2 282.388 0.870 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2nc(C)no2)C1 ZINC000574867945 335053240 /nfs/dbraw/zinc/05/32/40/335053240.db2.gz IWHNCDBLSXYUDW-CHWSQXEVSA-N 2 2 282.388 0.870 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](c2nc(C)no2)C1 ZINC000574867945 335053241 /nfs/dbraw/zinc/05/32/41/335053241.db2.gz IWHNCDBLSXYUDW-CHWSQXEVSA-N 2 2 282.388 0.870 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](c2nc(C)no2)C1 ZINC000574867945 335053242 /nfs/dbraw/zinc/05/32/42/335053242.db2.gz IWHNCDBLSXYUDW-CHWSQXEVSA-N 2 2 282.388 0.870 20 0 CCADLP O=C1NCC[C@@H]1CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000574867954 335053474 /nfs/dbraw/zinc/05/34/74/335053474.db2.gz JGSXAQKEKYPGDD-ZIAGYGMSSA-N 2 2 281.400 0.167 20 0 CCADLP O=C1NCC[C@@H]1CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000574867954 335053475 /nfs/dbraw/zinc/05/34/75/335053475.db2.gz JGSXAQKEKYPGDD-ZIAGYGMSSA-N 2 2 281.400 0.167 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000283356821 388765028 /nfs/dbraw/zinc/76/50/28/388765028.db2.gz IUNXWBWIGMGFDC-NSHDSACASA-N 2 2 294.399 0.564 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000283356821 388765033 /nfs/dbraw/zinc/76/50/33/388765033.db2.gz IUNXWBWIGMGFDC-NSHDSACASA-N 2 2 294.399 0.564 20 0 CCADLP CC[C@]1(C(=O)NCC[N@@H+]2CCOCC2(C)C)CCC[NH2+]1 ZINC000184160766 388769992 /nfs/dbraw/zinc/76/99/92/388769992.db2.gz CLOLZOWAWGSHIR-OAHLLOKOSA-N 2 2 283.416 0.746 20 0 CCADLP CC[C@]1(C(=O)NCC[N@H+]2CCOCC2(C)C)CCC[NH2+]1 ZINC000184160766 388769997 /nfs/dbraw/zinc/76/99/97/388769997.db2.gz CLOLZOWAWGSHIR-OAHLLOKOSA-N 2 2 283.416 0.746 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](O)[C@H](C)C2)CC1 ZINC000186829085 388854484 /nfs/dbraw/zinc/85/44/84/388854484.db2.gz YPNJOIWVFYKZHN-RDBSUJKOSA-N 2 2 283.416 0.242 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](O)[C@H](C)C2)CC1 ZINC000186829085 388854493 /nfs/dbraw/zinc/85/44/93/388854493.db2.gz YPNJOIWVFYKZHN-RDBSUJKOSA-N 2 2 283.416 0.242 20 0 CCADLP CC[NH+](CC)CCCNC(=O)NCCn1cc[nH+]c1 ZINC000043004762 388867950 /nfs/dbraw/zinc/86/79/50/388867950.db2.gz MWTVAOMNHNYAPM-UHFFFAOYSA-N 2 2 267.377 0.914 20 0 CCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CCC[NH2+]C1 ZINC000289725663 388886011 /nfs/dbraw/zinc/88/60/11/388886011.db2.gz GJXBHLRTOUMZSA-OLZOCXBDSA-N 2 2 274.368 0.776 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000289921725 388898052 /nfs/dbraw/zinc/89/80/52/388898052.db2.gz KJISRFZRJZWBIQ-ZDUSSCGKSA-N 2 2 292.383 0.662 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000290591291 388907904 /nfs/dbraw/zinc/90/79/04/388907904.db2.gz BFLASTLSHUNBBY-STQMWFEESA-N 2 2 277.372 0.846 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000290591291 388907906 /nfs/dbraw/zinc/90/79/06/388907906.db2.gz BFLASTLSHUNBBY-STQMWFEESA-N 2 2 277.372 0.846 20 0 CCADLP C[C@H]1CCCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)[C@H]1C[NH3+] ZINC000188186123 388916948 /nfs/dbraw/zinc/91/69/48/388916948.db2.gz NGSXGNQXIBZCAC-CABZTGNLSA-N 2 2 277.372 0.255 20 0 CCADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1c[nH+]cn1C ZINC000189475825 388961123 /nfs/dbraw/zinc/96/11/23/388961123.db2.gz DDNBGXRSPNIPKH-LBPRGKRZSA-N 2 2 266.389 0.697 20 0 CCADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1c[nH+]cn1C ZINC000189475825 388961124 /nfs/dbraw/zinc/96/11/24/388961124.db2.gz DDNBGXRSPNIPKH-LBPRGKRZSA-N 2 2 266.389 0.697 20 0 CCADLP CC(C)C[NH+]1CCN(C(=O)NCc2c[nH+]cn2C)CC1 ZINC000292283757 388947179 /nfs/dbraw/zinc/94/71/79/388947179.db2.gz JTEWAXQAJJVZRP-UHFFFAOYSA-N 2 2 279.388 0.903 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NCC[N@H+]1CC=CCC1 ZINC000292477988 388950556 /nfs/dbraw/zinc/95/05/56/388950556.db2.gz ZGHNULHSPBQREI-UHFFFAOYSA-N 2 2 263.345 0.481 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NCC[N@@H+]1CC=CCC1 ZINC000292477988 388950560 /nfs/dbraw/zinc/95/05/60/388950560.db2.gz ZGHNULHSPBQREI-UHFFFAOYSA-N 2 2 263.345 0.481 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075861062 388985227 /nfs/dbraw/zinc/98/52/27/388985227.db2.gz OGGAVRSDUYNEQJ-NEPJUHHUSA-N 2 2 284.404 0.637 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075861062 388985229 /nfs/dbraw/zinc/98/52/29/388985229.db2.gz OGGAVRSDUYNEQJ-NEPJUHHUSA-N 2 2 284.404 0.637 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075861062 388985230 /nfs/dbraw/zinc/98/52/30/388985230.db2.gz OGGAVRSDUYNEQJ-NEPJUHHUSA-N 2 2 284.404 0.637 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075861062 388985232 /nfs/dbraw/zinc/98/52/32/388985232.db2.gz OGGAVRSDUYNEQJ-NEPJUHHUSA-N 2 2 284.404 0.637 20 0 CCADLP C[C@H]1[N@H+](C[C@@H](O)C[NH+](C)C2CC2)CCOC1(C)C ZINC000336788941 389019864 /nfs/dbraw/zinc/01/98/64/389019864.db2.gz HXWGYBIVCUOEEL-YPMHNXCESA-N 2 2 256.390 0.941 20 0 CCADLP C[C@H]1[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)CCOC1(C)C ZINC000336788941 389019869 /nfs/dbraw/zinc/01/98/69/389019869.db2.gz HXWGYBIVCUOEEL-YPMHNXCESA-N 2 2 256.390 0.941 20 0 CCADLP C[C@H]1[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CCOC1(C)C ZINC000336788941 389019873 /nfs/dbraw/zinc/01/98/73/389019873.db2.gz HXWGYBIVCUOEEL-YPMHNXCESA-N 2 2 256.390 0.941 20 0 CCADLP C[C@H]1[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CCOC1(C)C ZINC000336788941 389019875 /nfs/dbraw/zinc/01/98/75/389019875.db2.gz HXWGYBIVCUOEEL-YPMHNXCESA-N 2 2 256.390 0.941 20 0 CCADLP CC(C)[C@H]1CN(CC[N@@H+]2CCOC[C@H]2C)CC[NH+]1C ZINC000337233738 389057116 /nfs/dbraw/zinc/05/71/16/389057116.db2.gz KOJORXCRJLCYNF-HUUCEWRRSA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@H]1CN(CC[N@H+]2CCOC[C@H]2C)CC[NH+]1C ZINC000337233738 389057119 /nfs/dbraw/zinc/05/71/19/389057119.db2.gz KOJORXCRJLCYNF-HUUCEWRRSA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@H]1CN(CC[NH+]2CCOC[C@H]2C)CC[N@@H+]1C ZINC000337233738 389057123 /nfs/dbraw/zinc/05/71/23/389057123.db2.gz KOJORXCRJLCYNF-HUUCEWRRSA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@H]1CN(CC[NH+]2CCOC[C@H]2C)CC[N@H+]1C ZINC000337233738 389057125 /nfs/dbraw/zinc/05/71/25/389057125.db2.gz KOJORXCRJLCYNF-HUUCEWRRSA-N 2 2 269.433 0.979 20 0 CCADLP Cc1cc(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)nc[nH+]1 ZINC000301909344 389060086 /nfs/dbraw/zinc/06/00/86/389060086.db2.gz BABPVGXOQRISSX-ZDUSSCGKSA-N 2 2 289.383 0.704 20 0 CCADLP Cc1cc(N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)nc[nH+]1 ZINC000301909344 389060090 /nfs/dbraw/zinc/06/00/90/389060090.db2.gz BABPVGXOQRISSX-ZDUSSCGKSA-N 2 2 289.383 0.704 20 0 CCADLP Cc1ccc(O)c(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)n1 ZINC000096481245 389062062 /nfs/dbraw/zinc/06/20/62/389062062.db2.gz ZDUJLMDYEQICNC-GFCCVEGCSA-N 2 2 264.373 0.431 20 0 CCADLP Cc1ccc(O)c(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)n1 ZINC000096481245 389062065 /nfs/dbraw/zinc/06/20/65/389062065.db2.gz ZDUJLMDYEQICNC-GFCCVEGCSA-N 2 2 264.373 0.431 20 0 CCADLP NC(=O)c1c[nH+]ccc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000302012887 389062480 /nfs/dbraw/zinc/06/24/80/389062480.db2.gz DGVJUMKPGKPASR-UHFFFAOYSA-N 2 2 297.362 0.898 20 0 CCADLP C[C@@H](CNc1cc[nH+]cc1C(N)=O)C[NH+]1CCOCC1 ZINC000302235081 389066532 /nfs/dbraw/zinc/06/65/32/389066532.db2.gz UPOPPRQAZQYCCC-NSHDSACASA-N 2 2 278.356 0.561 20 0 CCADLP CN(C)C(=O)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000111230801 389103876 /nfs/dbraw/zinc/10/38/76/389103876.db2.gz RLZGAPBTQGPEOR-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP CN(C)C(=O)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000111230801 389103880 /nfs/dbraw/zinc/10/38/80/389103880.db2.gz RLZGAPBTQGPEOR-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@](C)(O)CC1 ZINC000311659098 389104432 /nfs/dbraw/zinc/10/44/32/389104432.db2.gz FIKGEZNAEPQLMW-UONOGXRCSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@](C)(O)CC1 ZINC000311659098 389104434 /nfs/dbraw/zinc/10/44/34/389104434.db2.gz FIKGEZNAEPQLMW-UONOGXRCSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000311659098 389104436 /nfs/dbraw/zinc/10/44/36/389104436.db2.gz FIKGEZNAEPQLMW-UONOGXRCSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@](C)(O)CC1 ZINC000311659098 389104437 /nfs/dbraw/zinc/10/44/37/389104437.db2.gz FIKGEZNAEPQLMW-UONOGXRCSA-N 2 2 274.405 0.162 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000338299948 389107639 /nfs/dbraw/zinc/10/76/39/389107639.db2.gz ACXIHKWIDQKEIY-CQSZACIVSA-N 3 2 282.432 0.034 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000338299948 389107641 /nfs/dbraw/zinc/10/76/41/389107641.db2.gz ACXIHKWIDQKEIY-CQSZACIVSA-N 3 2 282.432 0.034 20 0 CCADLP CCCCNC(=O)[C@H](C)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313348272 389113287 /nfs/dbraw/zinc/11/32/87/389113287.db2.gz KWVLXKLGFDVBLQ-RYUDHWBXSA-N 2 2 257.378 0.341 20 0 CCADLP CCCCNC(=O)[C@H](C)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313348272 389113289 /nfs/dbraw/zinc/11/32/89/389113289.db2.gz KWVLXKLGFDVBLQ-RYUDHWBXSA-N 2 2 257.378 0.341 20 0 CCADLP CC(C)CCNC(=O)[C@H](C)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313400076 389114171 /nfs/dbraw/zinc/11/41/71/389114171.db2.gz SIZDNJZRMWSPTP-STQMWFEESA-N 2 2 271.405 0.587 20 0 CCADLP CC(C)CCNC(=O)[C@H](C)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313400076 389114172 /nfs/dbraw/zinc/11/41/72/389114172.db2.gz SIZDNJZRMWSPTP-STQMWFEESA-N 2 2 271.405 0.587 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000195128353 389116434 /nfs/dbraw/zinc/11/64/34/389116434.db2.gz MKGDRQBZVQBGAN-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000195128353 389116437 /nfs/dbraw/zinc/11/64/37/389116437.db2.gz MKGDRQBZVQBGAN-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H](C)[C@@H]2C)C1 ZINC000339568499 389135537 /nfs/dbraw/zinc/13/55/37/389135537.db2.gz IYRAGRXDAOZOPS-SOUVJXGZSA-N 2 2 297.443 0.800 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H](C)[C@@H]2C)C1 ZINC000339568499 389135541 /nfs/dbraw/zinc/13/55/41/389135541.db2.gz IYRAGRXDAOZOPS-SOUVJXGZSA-N 2 2 297.443 0.800 20 0 CCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@H](C)[C@@H]2C)C1 ZINC000339568499 389135544 /nfs/dbraw/zinc/13/55/44/389135544.db2.gz IYRAGRXDAOZOPS-SOUVJXGZSA-N 2 2 297.443 0.800 20 0 CCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@H](C)[C@@H]2C)C1 ZINC000339568499 389135546 /nfs/dbraw/zinc/13/55/46/389135546.db2.gz IYRAGRXDAOZOPS-SOUVJXGZSA-N 2 2 297.443 0.800 20 0 CCADLP Cc1cc(C[N@@H+]2CCO[C@@H](C[NH3+])C2)ccc1-n1cncn1 ZINC000357964391 389141018 /nfs/dbraw/zinc/14/10/18/389141018.db2.gz JHGHTODFMDRFIM-AWEZNQCLSA-N 2 2 287.367 0.735 20 0 CCADLP Cc1cc(C[N@H+]2CCO[C@@H](C[NH3+])C2)ccc1-n1cncn1 ZINC000357964391 389141021 /nfs/dbraw/zinc/14/10/21/389141021.db2.gz JHGHTODFMDRFIM-AWEZNQCLSA-N 2 2 287.367 0.735 20 0 CCADLP CC(C)C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000360184950 389193065 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C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000362818195 389242051 /nfs/dbraw/zinc/24/20/51/389242051.db2.gz SFDAJZIRLWWAMI-MCIONIFRSA-N 2 2 281.400 0.117 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000362818195 389242052 /nfs/dbraw/zinc/24/20/52/389242052.db2.gz SFDAJZIRLWWAMI-MCIONIFRSA-N 2 2 281.400 0.117 20 0 CCADLP CC[N@H+]1C[C@H](NC2CC[NH+](CC(=O)NC)CC2)[C@@H](C)C1 ZINC000343269280 389262133 /nfs/dbraw/zinc/26/21/33/389262133.db2.gz AUKZDOPXBCYAJZ-JSGCOSHPSA-N 2 2 282.432 0.127 20 0 CCADLP CC[N@@H+]1C[C@H](NC2CC[NH+](CC(=O)NC)CC2)[C@@H](C)C1 ZINC000343269280 389262135 /nfs/dbraw/zinc/26/21/35/389262135.db2.gz AUKZDOPXBCYAJZ-JSGCOSHPSA-N 2 2 282.432 0.127 20 0 CCADLP CSCC[C@H]([NH2+]Cc1c[nH+]cn1C)C(=O)N(C)C ZINC000342305849 389208908 /nfs/dbraw/zinc/20/89/08/389208908.db2.gz KGMGXBSHTUNXOL-NSHDSACASA-N 2 2 270.402 0.720 20 0 CCADLP COC(=O)C[C@H]1CSCC[N@@H+]1CCn1cc[nH+]c1 ZINC000131733466 389217873 /nfs/dbraw/zinc/21/78/73/389217873.db2.gz CNFHIEQUEDBRAG-NSHDSACASA-N 2 2 269.370 0.864 20 0 CCADLP COC(=O)C[C@H]1CSCC[N@H+]1CCn1cc[nH+]c1 ZINC000131733466 389217876 /nfs/dbraw/zinc/21/78/76/389217876.db2.gz CNFHIEQUEDBRAG-NSHDSACASA-N 2 2 269.370 0.864 20 0 CCADLP COc1c[nH+]ccc1N1CC[NH+]([C@@H](C)C(=O)N(C)C)CC1 ZINC000361520265 389218338 /nfs/dbraw/zinc/21/83/38/389218338.db2.gz SWIUNVJUDHQGMV-LBPRGKRZSA-N 2 2 292.383 0.689 20 0 CCADLP CCOC(=O)N1CCC([NH2+][C@H](C)C[C@H]2COCC[NH2+]2)CC1 ZINC000133402806 389234946 /nfs/dbraw/zinc/23/49/46/389234946.db2.gz FZUJIMRNVXFPIN-OCCSQVGLSA-N 2 2 299.415 0.964 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+][C@H]2C)C[C@H]1[NH+]1CCOCC1 ZINC000343500516 389266668 /nfs/dbraw/zinc/26/66/68/389266668.db2.gz FBZBKJQZBRIKMN-LXTVHRRPSA-N 2 2 295.427 0.554 20 0 CCADLP O=C(NCCC[NH+]1CCOCC1)[C@@H]1CC[NH2+]CC1(F)F ZINC000342660860 389237027 /nfs/dbraw/zinc/23/70/27/389237027.db2.gz UYIZGAUEDCRILV-NSHDSACASA-N 2 2 291.342 0.070 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+](CCn3cncn3)CC2)c1 ZINC000264223422 389313730 /nfs/dbraw/zinc/31/37/30/389313730.db2.gz WJZAQCGMZPVTQP-UHFFFAOYSA-N 2 2 288.355 0.504 20 0 CCADLP Cc1c[nH+]ccc1N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000367163489 389324943 /nfs/dbraw/zinc/32/49/43/389324943.db2.gz COLIMBFOQFCMBQ-LBPRGKRZSA-N 2 2 278.356 0.012 20 0 CCADLP Cc1c[nH+]ccc1N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000367163489 389324945 /nfs/dbraw/zinc/32/49/45/389324945.db2.gz COLIMBFOQFCMBQ-LBPRGKRZSA-N 2 2 278.356 0.012 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccco1 ZINC000264599315 389337891 /nfs/dbraw/zinc/33/78/91/389337891.db2.gz NFALLSQRCUNGPX-GFCCVEGCSA-N 2 2 251.330 0.709 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccco1 ZINC000264599315 389337894 /nfs/dbraw/zinc/33/78/94/389337894.db2.gz NFALLSQRCUNGPX-GFCCVEGCSA-N 2 2 251.330 0.709 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000261677713 389274699 /nfs/dbraw/zinc/27/46/99/389274699.db2.gz HNDHJUBWHCXVLX-LBPRGKRZSA-N 2 2 271.405 0.588 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000261677713 389274700 /nfs/dbraw/zinc/27/47/00/389274700.db2.gz HNDHJUBWHCXVLX-LBPRGKRZSA-N 2 2 271.405 0.588 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261785333 389276026 /nfs/dbraw/zinc/27/60/26/389276026.db2.gz PZBHYLDEWGSAAK-RYUDHWBXSA-N 2 2 282.388 0.152 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261785333 389276029 /nfs/dbraw/zinc/27/60/29/389276029.db2.gz PZBHYLDEWGSAAK-RYUDHWBXSA-N 2 2 282.388 0.152 20 0 CCADLP CC[C@H](C(=O)OC)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343971034 389277034 /nfs/dbraw/zinc/27/70/34/389277034.db2.gz FBYDFFGSJOSHRJ-KFWWJZLASA-N 2 2 297.443 0.896 20 0 CCADLP CC[C@H](C(=O)OC)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343971034 389277037 /nfs/dbraw/zinc/27/70/37/389277037.db2.gz FBYDFFGSJOSHRJ-KFWWJZLASA-N 2 2 297.443 0.896 20 0 CCADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[NH+](C2CC2)CC1 ZINC000263012126 389297312 /nfs/dbraw/zinc/29/73/12/389297312.db2.gz PUTKCXXMOMSMDN-JTQLQIEISA-N 2 2 259.300 0.290 20 0 CCADLP COC(=O)[C@@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)C1CC1 ZINC000348190784 389369292 /nfs/dbraw/zinc/36/92/92/389369292.db2.gz UASJRJKNJMEINO-HNNXBMFYSA-N 2 2 297.443 0.944 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000333524314 389417992 /nfs/dbraw/zinc/41/79/92/389417992.db2.gz HALAYIJWXUUXSM-IHRRRGAJSA-N 2 2 298.431 0.381 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000333524314 389417993 /nfs/dbraw/zinc/41/79/93/389417993.db2.gz HALAYIJWXUUXSM-IHRRRGAJSA-N 2 2 298.431 0.381 20 0 CCADLP Cc1nc(N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc[nH+]1 ZINC000161860363 389411135 /nfs/dbraw/zinc/41/11/35/389411135.db2.gz VFIJYWUKMCRDLL-CYBMUJFWSA-N 2 2 289.383 0.704 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000333475033 389414807 /nfs/dbraw/zinc/41/48/07/389414807.db2.gz BHQXRLRMSZRZHD-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CCC[NH+](CC)CC ZINC000422734706 389462389 /nfs/dbraw/zinc/46/23/89/389462389.db2.gz SWRRCGIPEGKQEQ-QWHCGFSZSA-N 2 2 271.405 0.602 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCCC[NH+](CC)CC ZINC000422734706 389462392 /nfs/dbraw/zinc/46/23/92/389462392.db2.gz SWRRCGIPEGKQEQ-QWHCGFSZSA-N 2 2 271.405 0.602 20 0 CCADLP [NH3+][C@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000422754247 389467795 /nfs/dbraw/zinc/46/77/95/389467795.db2.gz AIVSJIPWLVPASE-QWHCGFSZSA-N 2 2 267.373 0.047 20 0 CCADLP [NH3+][C@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000422754247 389467797 /nfs/dbraw/zinc/46/77/97/389467797.db2.gz AIVSJIPWLVPASE-QWHCGFSZSA-N 2 2 267.373 0.047 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000422756435 389469202 /nfs/dbraw/zinc/46/92/02/389469202.db2.gz CLNQVAUFPRNXLS-NWDGAFQWSA-N 2 2 255.362 0.047 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000422756435 389469208 /nfs/dbraw/zinc/46/92/08/389469208.db2.gz CLNQVAUFPRNXLS-NWDGAFQWSA-N 2 2 255.362 0.047 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000334382899 389479791 /nfs/dbraw/zinc/47/97/91/389479791.db2.gz GVKDFQNXEMIRMO-CYBMUJFWSA-N 2 2 265.332 0.860 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000422823218 389482731 /nfs/dbraw/zinc/48/27/31/389482731.db2.gz CUDVXRLEDUSFOH-JSGCOSHPSA-N 2 2 283.416 0.459 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000422823218 389482736 /nfs/dbraw/zinc/48/27/36/389482736.db2.gz CUDVXRLEDUSFOH-JSGCOSHPSA-N 2 2 283.416 0.459 20 0 CCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCC[NH+]1CCOCC1 ZINC000349697452 389421674 /nfs/dbraw/zinc/42/16/74/389421674.db2.gz WKUGVBQSUZQSEN-CQSZACIVSA-N 2 2 298.431 0.300 20 0 CCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCC[NH+]1CCOCC1 ZINC000349697452 389421676 /nfs/dbraw/zinc/42/16/76/389421676.db2.gz WKUGVBQSUZQSEN-CQSZACIVSA-N 2 2 298.431 0.300 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000165254427 389439024 /nfs/dbraw/zinc/43/90/24/389439024.db2.gz IDLQYMGZJZFLPS-CYBMUJFWSA-N 2 2 264.373 0.861 20 0 CCADLP C[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)C1C[NH2+]C1 ZINC000422692586 389452834 /nfs/dbraw/zinc/45/28/34/389452834.db2.gz KKQYAFHXFKFGMH-FZMZJTMJSA-N 2 2 259.353 0.989 20 0 CCADLP [NH3+][C@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000422690853 389453201 /nfs/dbraw/zinc/45/32/01/389453201.db2.gz HAXLFCOXFIMPIS-KBPBESRZSA-N 2 2 281.400 0.437 20 0 CCADLP [NH3+][C@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000422690853 389453204 /nfs/dbraw/zinc/45/32/04/389453204.db2.gz HAXLFCOXFIMPIS-KBPBESRZSA-N 2 2 281.400 0.437 20 0 CCADLP CCN(CC)S(=O)(=O)CC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000422856723 389493186 /nfs/dbraw/zinc/49/31/86/389493186.db2.gz FYOLNCTYSAHZOF-WDEREUQCSA-N 2 2 263.407 0.127 20 0 CCADLP C[C@H]([NH2+]CCN1CCOC[C@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000422711257 389456498 /nfs/dbraw/zinc/45/64/98/389456498.db2.gz GUTYHQJPMRRVPL-RDBSUJKOSA-N 2 2 255.406 0.827 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCNc1ccccn1 ZINC000422989284 389518499 /nfs/dbraw/zinc/51/84/99/389518499.db2.gz ATGCMNBRMMQAMS-QWHCGFSZSA-N 2 2 264.373 0.850 20 0 CCADLP C[C@@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)[C@H]1CCC[NH2+]1 ZINC000423024631 389523495 /nfs/dbraw/zinc/52/34/95/389523495.db2.gz JTDGYPKKKPNUBV-MRVWCRGKSA-N 2 2 253.390 0.580 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)[C@H]1CCCC[NH2+]1 ZINC000423040138 389524991 /nfs/dbraw/zinc/52/49/91/389524991.db2.gz GPCOZKRPOTZFSK-GHMZBOCLSA-N 2 2 265.361 0.260 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423040718 389526320 /nfs/dbraw/zinc/52/63/20/389526320.db2.gz UWUYZGGMXAMAJK-JONQDZQNSA-N 3 2 281.444 0.953 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000423040718 389526322 /nfs/dbraw/zinc/52/63/22/389526322.db2.gz UWUYZGGMXAMAJK-JONQDZQNSA-N 3 2 281.444 0.953 20 0 CCADLP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000423083979 389531688 /nfs/dbraw/zinc/53/16/88/389531688.db2.gz GSDNXRCAHNFCKS-CRWXNKLISA-N 2 2 282.384 0.685 20 0 CCADLP CCNC(=O)C1(C[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)CCC1 ZINC000423083856 389531890 /nfs/dbraw/zinc/53/18/90/389531890.db2.gz ZHHHKUJNFHWHSU-CHWSQXEVSA-N 2 2 283.416 0.649 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423347537 389570054 /nfs/dbraw/zinc/57/00/54/389570054.db2.gz ROERNKKZXGMERQ-MCIONIFRSA-N 3 2 255.406 0.733 20 0 CCADLP CNC(=O)COc1cccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000423115037 389537416 /nfs/dbraw/zinc/53/74/16/389537416.db2.gz WYQCDWZMEFBGOY-WFASDCNBSA-N 2 2 291.395 0.899 20 0 CCADLP C[NH+](C)CC1CC[NH+](Cc2cc(=O)n3[nH]ccc3n2)CC1 ZINC000350920269 389555344 /nfs/dbraw/zinc/55/53/44/389555344.db2.gz PZWZKFLWUXRZAD-UHFFFAOYSA-N 2 2 289.383 0.796 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000373585530 389499173 /nfs/dbraw/zinc/49/91/73/389499173.db2.gz YXZSSPLYGISXFN-ZDUSSCGKSA-N 2 2 294.399 0.530 20 0 CCADLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)[C@H]1CCCC[NH2+]1 ZINC000422888572 389499472 /nfs/dbraw/zinc/49/94/72/389499472.db2.gz NIPKFNPLHYNGOJ-ZNMIVQPWSA-N 3 2 296.459 0.837 20 0 CCADLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)[C@H]1CCCC[NH2+]1 ZINC000422888572 389499475 /nfs/dbraw/zinc/49/94/75/389499475.db2.gz NIPKFNPLHYNGOJ-ZNMIVQPWSA-N 3 2 296.459 0.837 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCC[N@H+](C)[C@H](C)CC ZINC000422905399 389503221 /nfs/dbraw/zinc/50/32/21/389503221.db2.gz IHHLFOYSCAQAPB-FRRDWIJNSA-N 2 2 271.405 0.600 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCC[N@@H+](C)[C@H](C)CC ZINC000422905399 389503224 /nfs/dbraw/zinc/50/32/24/389503224.db2.gz IHHLFOYSCAQAPB-FRRDWIJNSA-N 2 2 271.405 0.600 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCNC(=O)c1ccccc1 ZINC000422914613 389504940 /nfs/dbraw/zinc/50/49/40/389504940.db2.gz VAMQHVFQQYRKNI-HIFRSBDPSA-N 2 2 291.395 0.773 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000178669816 389614344 /nfs/dbraw/zinc/61/43/44/389614344.db2.gz HQFGDVHPOXOZOP-HUUCEWRRSA-N 3 2 296.459 0.470 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000178669816 389614346 /nfs/dbraw/zinc/61/43/46/389614346.db2.gz HQFGDVHPOXOZOP-HUUCEWRRSA-N 3 2 296.459 0.470 20 0 CCADLP COC(=O)CC1CC([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)C1 ZINC000424356005 389624380 /nfs/dbraw/zinc/62/43/80/389624380.db2.gz UQCJTEZZICRVKJ-RUXDESIVSA-N 2 2 284.400 0.765 20 0 CCADLP COC(=O)CC1CC([NH2+]C[C@@H]2CCCC[N@H+]2CCO)C1 ZINC000424356005 389624384 /nfs/dbraw/zinc/62/43/84/389624384.db2.gz UQCJTEZZICRVKJ-RUXDESIVSA-N 2 2 284.400 0.765 20 0 CCADLP COCCn1cc(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)cn1 ZINC000414955962 389647900 /nfs/dbraw/zinc/64/79/00/389647900.db2.gz PDQRNDMWINRNBP-WCQYABFASA-N 2 2 252.362 0.760 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@H](CO)c1cccc(F)c1)C1CC1 ZINC000351602559 389629325 /nfs/dbraw/zinc/62/93/25/389629325.db2.gz IQTPURLKOBPTBL-LSDHHAIUSA-N 2 2 282.359 0.904 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H](CO)c1cccc(F)c1)C1CC1 ZINC000351602559 389629329 /nfs/dbraw/zinc/62/93/29/389629329.db2.gz IQTPURLKOBPTBL-LSDHHAIUSA-N 2 2 282.359 0.904 20 0 CCADLP CC[C@]1(CO)CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351604959 389629778 /nfs/dbraw/zinc/62/97/78/389629778.db2.gz GRVOPUOKKVECDS-CABCVRRESA-N 2 2 270.417 0.926 20 0 CCADLP CC[C@]1(CO)CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351604959 389629781 /nfs/dbraw/zinc/62/97/81/389629781.db2.gz GRVOPUOKKVECDS-CABCVRRESA-N 2 2 270.417 0.926 20 0 CCADLP CC[C@]1(CO)CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000351604959 389629786 /nfs/dbraw/zinc/62/97/86/389629786.db2.gz GRVOPUOKKVECDS-CABCVRRESA-N 2 2 270.417 0.926 20 0 CCADLP CC[C@]1(CO)CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351604959 389629789 /nfs/dbraw/zinc/62/97/89/389629789.db2.gz GRVOPUOKKVECDS-CABCVRRESA-N 2 2 270.417 0.926 20 0 CCADLP COC(=O)[C@@H]1COCC[N@@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414744268 389634235 /nfs/dbraw/zinc/63/42/35/389634235.db2.gz PIISQLNMAQXLGK-SRVKXCTJSA-N 2 2 256.346 0.248 20 0 CCADLP COC(=O)[C@@H]1COCC[N@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414744268 389634237 /nfs/dbraw/zinc/63/42/37/389634237.db2.gz PIISQLNMAQXLGK-SRVKXCTJSA-N 2 2 256.346 0.248 20 0 CCADLP C[NH2+]CC[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000414832910 389639470 /nfs/dbraw/zinc/63/94/70/389639470.db2.gz RPLOMRXCYKOEPZ-UHFFFAOYSA-N 2 2 251.355 0.909 20 0 CCADLP C[NH2+]CC[NH2+]Cc1ccc(O[C@H](C)C(=O)OC)cc1 ZINC000414823733 389639528 /nfs/dbraw/zinc/63/95/28/389639528.db2.gz IXOVIEBSPGPBHZ-LLVKDONJSA-N 2 2 266.341 0.936 20 0 CCADLP CC[C@H]1C[C@H](C)C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000336507363 389639754 /nfs/dbraw/zinc/63/97/54/389639754.db2.gz ONYDPDQKCABLMO-STQMWFEESA-N 2 2 253.390 0.881 20 0 CCADLP CC[C@H]1C[C@H](C)C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000336507363 389639757 /nfs/dbraw/zinc/63/97/57/389639757.db2.gz ONYDPDQKCABLMO-STQMWFEESA-N 2 2 253.390 0.881 20 0 CCADLP COC(=O)[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)[C@@H]1C ZINC000351629307 389640278 /nfs/dbraw/zinc/64/02/78/389640278.db2.gz PCYMVDNGFQUDSC-RAIGVLPGSA-N 2 2 270.373 0.325 20 0 CCADLP COC(=O)[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)[C@@H]1C ZINC000351629307 389640281 /nfs/dbraw/zinc/64/02/81/389640281.db2.gz PCYMVDNGFQUDSC-RAIGVLPGSA-N 2 2 270.373 0.325 20 0 CCADLP COC(=O)[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)[C@@H]1C ZINC000351629307 389640284 /nfs/dbraw/zinc/64/02/84/389640284.db2.gz PCYMVDNGFQUDSC-RAIGVLPGSA-N 2 2 270.373 0.325 20 0 CCADLP COC(=O)[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)[C@@H]1C ZINC000351629307 389640287 /nfs/dbraw/zinc/64/02/87/389640287.db2.gz PCYMVDNGFQUDSC-RAIGVLPGSA-N 2 2 270.373 0.325 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423404601 389580060 /nfs/dbraw/zinc/58/00/60/389580060.db2.gz SOBVVJBXUGFNFK-LXFSFDBISA-N 3 2 267.417 0.874 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)[C@H]2C[C@@H](C)CC[NH2+]2)CC1 ZINC000423428806 389584500 /nfs/dbraw/zinc/58/45/00/389584500.db2.gz RTGBNHOMFZUDEM-LSDHHAIUSA-N 2 2 297.443 0.944 20 0 CCADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])c1 ZINC000423444823 389588592 /nfs/dbraw/zinc/58/85/92/389588592.db2.gz MFUFSQSIDLREHG-DCAQKATOSA-N 2 2 285.413 0.981 20 0 CCADLP C[C@@H]1CC[C@@H]([N@H+](CCO)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000351646247 389645692 /nfs/dbraw/zinc/64/56/92/389645692.db2.gz FXRCCZBAJXPZOA-ZIAGYGMSSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@@H]1CC[C@@H]([N@@H+](CCO)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000351646247 389645697 /nfs/dbraw/zinc/64/56/97/389645697.db2.gz FXRCCZBAJXPZOA-ZIAGYGMSSA-N 2 2 283.416 0.243 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000279563683 389589623 /nfs/dbraw/zinc/58/96/23/389589623.db2.gz YTTWFEYPPDHQOY-NEPJUHHUSA-N 2 2 262.357 0.956 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000279563683 389589626 /nfs/dbraw/zinc/58/96/26/389589626.db2.gz YTTWFEYPPDHQOY-NEPJUHHUSA-N 2 2 262.357 0.956 20 0 CCADLP [NH3+][C@@H](CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C1CC1 ZINC000423469964 389590885 /nfs/dbraw/zinc/59/08/85/389590885.db2.gz CQDPETZUDOEJCS-KBPBESRZSA-N 2 2 281.400 0.483 20 0 CCADLP [NH3+][C@@H](CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C1CC1 ZINC000423469964 389590886 /nfs/dbraw/zinc/59/08/86/389590886.db2.gz CQDPETZUDOEJCS-KBPBESRZSA-N 2 2 281.400 0.483 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H]1[C@H](O)C(F)(F)F)C1CC1 ZINC000351494265 389593480 /nfs/dbraw/zinc/59/34/80/389593480.db2.gz XRYVBBVIKZORBC-SRVKXCTJSA-N 2 2 296.333 0.829 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F)C1CC1 ZINC000351494265 389593484 /nfs/dbraw/zinc/59/34/84/389593484.db2.gz XRYVBBVIKZORBC-SRVKXCTJSA-N 2 2 296.333 0.829 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F)C1CC1 ZINC000351494265 389593486 /nfs/dbraw/zinc/59/34/86/389593486.db2.gz XRYVBBVIKZORBC-SRVKXCTJSA-N 2 2 296.333 0.829 20 0 CCADLP CN(C(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)c1nccs1 ZINC000351493144 389593616 /nfs/dbraw/zinc/59/36/16/389593616.db2.gz LYZVKEAXGHZFDS-HBNTYKKESA-N 2 2 280.397 0.775 20 0 CCADLP CN(C(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)c1nccs1 ZINC000351493144 389593622 /nfs/dbraw/zinc/59/36/22/389593622.db2.gz LYZVKEAXGHZFDS-HBNTYKKESA-N 2 2 280.397 0.775 20 0 CCADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000423483568 389594178 /nfs/dbraw/zinc/59/41/78/389594178.db2.gz XYYSQKVJXABAJG-PWSUYJOCSA-N 2 2 285.413 0.983 20 0 CCADLP [NH3+]C1(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)CCC1 ZINC000423505323 389596441 /nfs/dbraw/zinc/59/64/41/389596441.db2.gz HAGNFLFKQFELJK-UHFFFAOYSA-N 2 2 271.324 0.879 20 0 CCADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(-n2cncn2)cc1 ZINC000423532014 389600263 /nfs/dbraw/zinc/60/02/63/389600263.db2.gz YYYYDBICYCZVKV-IUODEOHRSA-N 2 2 287.367 0.906 20 0 CCADLP CCOC(=O)COCC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000351522461 389604752 /nfs/dbraw/zinc/60/47/52/389604752.db2.gz YGFCADYYRKMWRL-UHFFFAOYSA-N 2 2 296.371 0.107 20 0 CCADLP C[C@H](CC[NH+]1CCN(C)CC1)Nc1cc[nH+]c(N(C)C)n1 ZINC000351537854 389608648 /nfs/dbraw/zinc/60/86/48/389608648.db2.gz SYOVOUQEZIZSRC-CYBMUJFWSA-N 2 2 292.431 0.402 20 0 CCADLP C[C@H](CCN1CC[NH+](C)CC1)Nc1cc[nH+]c(N(C)C)n1 ZINC000351537854 389608652 /nfs/dbraw/zinc/60/86/52/389608652.db2.gz SYOVOUQEZIZSRC-CYBMUJFWSA-N 2 2 292.431 0.402 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375764375 389710019 /nfs/dbraw/zinc/71/00/19/389710019.db2.gz QBWXLJNFRWWCKV-FOSCPWQOSA-N 2 2 282.388 0.389 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375764375 389710022 /nfs/dbraw/zinc/71/00/22/389710022.db2.gz QBWXLJNFRWWCKV-FOSCPWQOSA-N 2 2 282.388 0.389 20 0 CCADLP CCNC(=O)NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375764375 389710026 /nfs/dbraw/zinc/71/00/26/389710026.db2.gz QBWXLJNFRWWCKV-FOSCPWQOSA-N 2 2 282.388 0.389 20 0 CCADLP CCNC(=O)NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375764375 389710028 /nfs/dbraw/zinc/71/00/28/389710028.db2.gz QBWXLJNFRWWCKV-FOSCPWQOSA-N 2 2 282.388 0.389 20 0 CCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000182624148 389712387 /nfs/dbraw/zinc/71/23/87/389712387.db2.gz IIGUMRLSUIWWHA-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000182624148 389712390 /nfs/dbraw/zinc/71/23/90/389712390.db2.gz IIGUMRLSUIWWHA-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP C[N@@H+](Cc1ccnn1-c1ccc(F)cc1)C[C@@H](O)C[NH3+] ZINC000415067742 389655554 /nfs/dbraw/zinc/65/55/54/389655554.db2.gz LKRXFWKBIFPXLD-AWEZNQCLSA-N 2 2 278.331 0.763 20 0 CCADLP C[N@H+](Cc1ccnn1-c1ccc(F)cc1)C[C@@H](O)C[NH3+] ZINC000415067742 389655555 /nfs/dbraw/zinc/65/55/55/389655555.db2.gz LKRXFWKBIFPXLD-AWEZNQCLSA-N 2 2 278.331 0.763 20 0 CCADLP COc1cc2c(cc1C[N@H+](C)C[C@H](O)C[NH3+])OCO2 ZINC000415067914 389655569 /nfs/dbraw/zinc/65/55/69/389655569.db2.gz LPMSVZIXOIKIPX-SNVBAGLBSA-N 2 2 268.313 0.175 20 0 CCADLP COc1cc2c(cc1C[N@@H+](C)C[C@H](O)C[NH3+])OCO2 ZINC000415067914 389655573 /nfs/dbraw/zinc/65/55/73/389655573.db2.gz LPMSVZIXOIKIPX-SNVBAGLBSA-N 2 2 268.313 0.175 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000351856773 389700008 /nfs/dbraw/zinc/70/00/08/389700008.db2.gz WFALLTMZMQWLAJ-UWVGGRQHSA-N 2 2 250.346 0.914 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000351856773 389700010 /nfs/dbraw/zinc/70/00/10/389700010.db2.gz WFALLTMZMQWLAJ-UWVGGRQHSA-N 2 2 250.346 0.914 20 0 CCADLP CO[C@@H](C)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000182237927 389704384 /nfs/dbraw/zinc/70/43/84/389704384.db2.gz XRXIAXNIHKFBCX-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CO[C@@H](C)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000182237927 389704385 /nfs/dbraw/zinc/70/43/85/389704385.db2.gz XRXIAXNIHKFBCX-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000352104000 389753736 /nfs/dbraw/zinc/75/37/36/389753736.db2.gz AOHBNZSZEWOVMX-ZIAGYGMSSA-N 2 2 285.432 0.990 20 0 CCADLP C[NH2+]CC1CCN(C(=O)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000429426034 389756091 /nfs/dbraw/zinc/75/60/91/389756091.db2.gz MPMXCZKNCUYPLC-GFCCVEGCSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000429671774 389764351 /nfs/dbraw/zinc/76/43/51/389764351.db2.gz PQCGDVSBAZOYCA-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP C[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000429671774 389764355 /nfs/dbraw/zinc/76/43/55/389764355.db2.gz PQCGDVSBAZOYCA-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000352178002 389765955 /nfs/dbraw/zinc/76/59/55/389765955.db2.gz IROIGIGUBANKHA-STQMWFEESA-N 2 2 271.405 0.600 20 0 CCADLP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000352178002 389765957 /nfs/dbraw/zinc/76/59/57/389765957.db2.gz IROIGIGUBANKHA-STQMWFEESA-N 2 2 271.405 0.600 20 0 CCADLP COC[C@]1(C(=O)NCCCn2cc[nH+]c2)CC[NH2+]C1 ZINC000388664169 389770295 /nfs/dbraw/zinc/77/02/95/389770295.db2.gz BCKZCYUVRUTXQT-ZDUSSCGKSA-N 2 2 266.345 0.016 20 0 CCADLP CCC[NH2+]CCNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000416809233 389772510 /nfs/dbraw/zinc/77/25/10/389772510.db2.gz ALDDVTHXYUXMIY-UHFFFAOYSA-N 2 2 286.420 0.396 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)NCC(F)(F)C[NH3+])c1ccco1 ZINC000416820469 389774126 /nfs/dbraw/zinc/77/41/26/389774126.db2.gz UGOWUNMABPRQCC-SECBINFHSA-N 2 2 290.314 0.776 20 0 CCADLP CC[NH2+]CCNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000416941651 389782927 /nfs/dbraw/zinc/78/29/27/389782927.db2.gz IGQSSRXRBPANQG-UHFFFAOYSA-N 2 2 275.356 0.786 20 0 CCADLP CC1(C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C[NH2+]C1 ZINC000399149923 389789154 /nfs/dbraw/zinc/78/91/54/389789154.db2.gz FKRSFIJZDFKBKM-UHFFFAOYSA-N 2 2 290.367 0.144 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000417018811 389790182 /nfs/dbraw/zinc/79/01/82/389790182.db2.gz FMJXSMBDYWGBOJ-MCIONIFRSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000417018812 389790504 /nfs/dbraw/zinc/79/05/04/389790504.db2.gz FMJXSMBDYWGBOJ-MGPQQGTHSA-N 2 2 298.431 0.476 20 0 CCADLP C[NH2+]CCNC(=O)NCCCNc1cccc[nH+]1 ZINC000417068956 389793024 /nfs/dbraw/zinc/79/30/24/389793024.db2.gz FCVZOZFRTPLIPN-UHFFFAOYSA-N 2 2 251.334 0.402 20 0 CCADLP C[C@@H]1[C@@H]([NH+]2CCOCC2)CCN1C[C@H](O)C[N@H+](C)C1CC1 ZINC000352027334 389738382 /nfs/dbraw/zinc/73/83/82/389738382.db2.gz KISBODBFVLNJLB-BMFZPTHFSA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1[C@@H]([NH+]2CCOCC2)CCN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000352027334 389738383 /nfs/dbraw/zinc/73/83/83/389738383.db2.gz KISBODBFVLNJLB-BMFZPTHFSA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1[C@@H](N2CCOCC2)CC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000352027334 389738385 /nfs/dbraw/zinc/73/83/85/389738385.db2.gz KISBODBFVLNJLB-BMFZPTHFSA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1[C@@H](N2CCOCC2)CC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000352027334 389738388 /nfs/dbraw/zinc/73/83/88/389738388.db2.gz KISBODBFVLNJLB-BMFZPTHFSA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1[C@@H](N2CCOCC2)CC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000352027334 389738390 /nfs/dbraw/zinc/73/83/90/389738390.db2.gz KISBODBFVLNJLB-BMFZPTHFSA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1[C@@H](N2CCOCC2)CC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000352027334 389738392 /nfs/dbraw/zinc/73/83/92/389738392.db2.gz KISBODBFVLNJLB-BMFZPTHFSA-N 2 2 297.443 0.237 20 0 CCADLP CCC[NH2+]CCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000416432105 389742199 /nfs/dbraw/zinc/74/21/99/389742199.db2.gz DJEUZSWKTBRZOQ-NSHDSACASA-N 2 2 253.350 0.570 20 0 CCADLP C[C@H]1CCCN(C(=O)NCC[NH+]2CCOCC2)[C@@H]1C[NH3+] ZINC000416432608 389742787 /nfs/dbraw/zinc/74/27/87/389742787.db2.gz LHYLDPGAXIWBQK-QWHCGFSZSA-N 2 2 284.404 0.087 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC(F)(F)C[NH3+] ZINC000416438086 389743875 /nfs/dbraw/zinc/74/38/75/389743875.db2.gz NMZSMZUCVUYNSX-MRVPVSSYSA-N 2 2 261.276 0.165 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCOCC2)C1 ZINC000429191651 389744102 /nfs/dbraw/zinc/74/41/02/389744102.db2.gz XTNWHDGICBNEGR-RWMBFGLXSA-N 2 2 269.389 0.293 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000416442506 389744181 /nfs/dbraw/zinc/74/41/81/389744181.db2.gz XZFKKCFHRIKPLM-BETUJISGSA-N 2 2 277.372 0.809 20 0 CCADLP Cc1cc(NC(=O)C[N@H+](C)CC(C)(C)C[NH3+])n(C)n1 ZINC000430541561 389806437 /nfs/dbraw/zinc/80/64/37/389806437.db2.gz BKWAFPKNKSPRCI-UHFFFAOYSA-N 2 2 267.377 0.584 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+](C)CC(C)(C)C[NH3+])n(C)n1 ZINC000430541561 389806438 /nfs/dbraw/zinc/80/64/38/389806438.db2.gz BKWAFPKNKSPRCI-UHFFFAOYSA-N 2 2 267.377 0.584 20 0 CCADLP C[C@](C[NH3+])([NH2+]Cc1cc(=O)n2ccccc2n1)C1CC1 ZINC000430570853 389808636 /nfs/dbraw/zinc/80/86/36/389808636.db2.gz JOUPGIAHICWSTH-OAHLLOKOSA-N 2 2 272.352 0.912 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000430609125 389812229 /nfs/dbraw/zinc/81/22/29/389812229.db2.gz GRAAYCWAHMYESD-QWHCGFSZSA-N 2 2 298.431 0.788 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000430609125 389812232 /nfs/dbraw/zinc/81/22/32/389812232.db2.gz GRAAYCWAHMYESD-QWHCGFSZSA-N 2 2 298.431 0.788 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCCN1CCOCC1 ZINC000430614742 389812656 /nfs/dbraw/zinc/81/26/56/389812656.db2.gz AGKBSVQMMMYEDH-UONOGXRCSA-N 2 2 255.406 0.910 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCCN1CCOCC1 ZINC000430614742 389812660 /nfs/dbraw/zinc/81/26/60/389812660.db2.gz AGKBSVQMMMYEDH-UONOGXRCSA-N 2 2 255.406 0.910 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCCN1CCC[NH+]1CCOCC1 ZINC000430614742 389812663 /nfs/dbraw/zinc/81/26/63/389812663.db2.gz AGKBSVQMMMYEDH-UONOGXRCSA-N 2 2 255.406 0.910 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCC([NH3+])CC1 ZINC000430616394 389813425 /nfs/dbraw/zinc/81/34/25/389813425.db2.gz GFWQXQBXKVFYKO-PWSUYJOCSA-N 2 2 255.362 0.093 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCC([NH3+])CC1 ZINC000430616395 389813588 /nfs/dbraw/zinc/81/35/88/389813588.db2.gz GFWQXQBXKVFYKO-ZYHUDNBSSA-N 2 2 255.362 0.093 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCCN1C(=O)NC(C)(C)C1=O ZINC000430618865 389813617 /nfs/dbraw/zinc/81/36/17/389813617.db2.gz XMENDTXNKYQTFS-NEPJUHHUSA-N 2 2 296.415 0.909 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCCN1C(=O)NC(C)(C)C1=O ZINC000430618865 389813620 /nfs/dbraw/zinc/81/36/20/389813620.db2.gz XMENDTXNKYQTFS-NEPJUHHUSA-N 2 2 296.415 0.909 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000417427565 389814722 /nfs/dbraw/zinc/81/47/22/389814722.db2.gz QLCKRXXRIJONHY-LLVKDONJSA-N 2 2 272.393 0.134 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000417427565 389814725 /nfs/dbraw/zinc/81/47/25/389814725.db2.gz QLCKRXXRIJONHY-LLVKDONJSA-N 2 2 272.393 0.134 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)N2CCC[C@@H]2C[NH3+])CCO1 ZINC000417429679 389816071 /nfs/dbraw/zinc/81/60/71/389816071.db2.gz VUIQXPUDLMZPJS-GFCCVEGCSA-N 2 2 284.404 0.230 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)N2CCC[C@@H]2C[NH3+])CCO1 ZINC000417429679 389816073 /nfs/dbraw/zinc/81/60/73/389816073.db2.gz VUIQXPUDLMZPJS-GFCCVEGCSA-N 2 2 284.404 0.230 20 0 CCADLP Cc1cnc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000352474972 389816957 /nfs/dbraw/zinc/81/69/57/389816957.db2.gz AAWPNTFXSSQOFD-CQSZACIVSA-N 2 2 261.373 0.265 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000417498219 389820869 /nfs/dbraw/zinc/82/08/69/389820869.db2.gz CIGSOLWRNGJGTI-KGLIPLIRSA-N 2 2 298.431 0.539 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000417498219 389820872 /nfs/dbraw/zinc/82/08/72/389820872.db2.gz CIGSOLWRNGJGTI-KGLIPLIRSA-N 2 2 298.431 0.539 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)c2csc(C[NH3+])n2)C[C@H]1C ZINC000430732044 389821216 /nfs/dbraw/zinc/82/12/16/389821216.db2.gz YINZUWNEUOUSHD-ZJUUUORDSA-N 2 2 298.412 0.129 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)c2csc(C[NH3+])n2)C[C@H]1C ZINC000430732044 389821217 /nfs/dbraw/zinc/82/12/17/389821217.db2.gz YINZUWNEUOUSHD-ZJUUUORDSA-N 2 2 298.412 0.129 20 0 CCADLP C[NH2+][C@@H]1CCCN(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000417520998 389825861 /nfs/dbraw/zinc/82/58/61/389825861.db2.gz OPVYLXGAFGYJQX-BFHYXJOUSA-N 2 2 298.431 0.489 20 0 CCADLP C[NH2+][C@@H]1CCCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000417520999 389826035 /nfs/dbraw/zinc/82/60/35/389826035.db2.gz OPVYLXGAFGYJQX-HZSPNIEDSA-N 2 2 298.431 0.489 20 0 CCADLP CN(C)c1ncc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)s1 ZINC000352534414 389828107 /nfs/dbraw/zinc/82/81/07/389828107.db2.gz GJKMJKOKJKTCGG-LBPRGKRZSA-N 2 2 295.456 0.689 20 0 CCADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)CC[NH3+])cc1 ZINC000430843632 389829271 /nfs/dbraw/zinc/82/92/71/389829271.db2.gz ZTILYTJZVSHMOL-HNNXBMFYSA-N 2 2 291.395 0.833 20 0 CCADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000430897742 389833149 /nfs/dbraw/zinc/83/31/49/389833149.db2.gz QOIKGEMIMQDTGK-QMMMGPOBSA-N 2 2 276.262 0.671 20 0 CCADLP [NH3+]C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000430928469 389836047 /nfs/dbraw/zinc/83/60/47/389836047.db2.gz LPHRKSSDUCEFPC-LBPRGKRZSA-N 2 2 283.397 0.246 20 0 CCADLP [NH3+]C[C@@H]1CC[N@@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000430928469 389836049 /nfs/dbraw/zinc/83/60/49/389836049.db2.gz LPHRKSSDUCEFPC-LBPRGKRZSA-N 2 2 283.397 0.246 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430944662 389838515 /nfs/dbraw/zinc/83/85/15/389838515.db2.gz NJJBHCXFIKHILK-GMTAPVOTSA-N 2 2 263.345 0.473 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430944662 389838516 /nfs/dbraw/zinc/83/85/16/389838516.db2.gz NJJBHCXFIKHILK-GMTAPVOTSA-N 2 2 263.345 0.473 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430950941 389839396 /nfs/dbraw/zinc/83/93/96/389839396.db2.gz SWYPWDHDILJGBO-KBPBESRZSA-N 2 2 285.432 0.834 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430950941 389839400 /nfs/dbraw/zinc/83/94/00/389839400.db2.gz SWYPWDHDILJGBO-KBPBESRZSA-N 2 2 285.432 0.834 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000430966965 389841753 /nfs/dbraw/zinc/84/17/53/389841753.db2.gz QODSHBKMXDKTDM-CYBMUJFWSA-N 3 2 282.432 0.256 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000430966965 389841758 /nfs/dbraw/zinc/84/17/58/389841758.db2.gz QODSHBKMXDKTDM-CYBMUJFWSA-N 3 2 282.432 0.256 20 0 CCADLP [NH3+]C1(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CCCC1 ZINC000431008186 389844398 /nfs/dbraw/zinc/84/43/98/389844398.db2.gz XRRXLXDGMABOAJ-UHFFFAOYSA-N 2 2 277.372 0.325 20 0 CCADLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)C(C)(C)n1cncn1 ZINC000353427596 389851143 /nfs/dbraw/zinc/85/11/43/389851143.db2.gz OXXOUWGNIZZXCN-STQMWFEESA-N 2 2 280.420 0.237 20 0 CCADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)C(C)(C)n1cncn1 ZINC000353427596 389851144 /nfs/dbraw/zinc/85/11/44/389851144.db2.gz OXXOUWGNIZZXCN-STQMWFEESA-N 2 2 280.420 0.237 20 0 CCADLP C[C@@H]([NH3+])CN1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000442663640 389854344 /nfs/dbraw/zinc/85/43/44/389854344.db2.gz KDZNITYBYHQVFG-ZIAGYGMSSA-N 2 2 282.432 0.352 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000417842807 389856134 /nfs/dbraw/zinc/85/61/34/389856134.db2.gz UUYRQURRKYSBBU-OUAUKWLOSA-N 2 2 275.343 0.736 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000417855735 389857562 /nfs/dbraw/zinc/85/75/62/389857562.db2.gz RNSARJDXNUPKIP-CPCISQLKSA-N 2 2 257.284 0.818 20 0 CCADLP Cc1[nH]c(C(=O)NC[C@](C)(O)CC[NH+](C)C)c[nH+]1 ZINC000431390886 389858252 /nfs/dbraw/zinc/85/82/52/389858252.db2.gz ITBIXHOKWONBMS-GFCCVEGCSA-N 2 2 254.334 0.151 20 0 CCADLP CCn1c[nH+]cc1CN1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000418104429 389869820 /nfs/dbraw/zinc/86/98/20/389869820.db2.gz ADBWTKGHGZPKJE-CHWSQXEVSA-N 2 2 266.389 0.790 20 0 CCADLP CCn1c[nH+]cc1CN1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000418104429 389869821 /nfs/dbraw/zinc/86/98/21/389869821.db2.gz ADBWTKGHGZPKJE-CHWSQXEVSA-N 2 2 266.389 0.790 20 0 CCADLP Cn1c(NC[C@H]2C[N@H+](C)CCN2C)[nH+]c2cccc(F)c21 ZINC000443512156 389881104 /nfs/dbraw/zinc/88/11/04/389881104.db2.gz SDAFKPGLRWXCTO-NSHDSACASA-N 2 2 291.374 0.792 20 0 CCADLP Cn1c(NC[C@H]2C[N@@H+](C)CCN2C)[nH+]c2cccc(F)c21 ZINC000443512156 389881106 /nfs/dbraw/zinc/88/11/06/389881106.db2.gz SDAFKPGLRWXCTO-NSHDSACASA-N 2 2 291.374 0.792 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)C[C@H]1[NH+]1CCOCC1 ZINC000444271198 389898771 /nfs/dbraw/zinc/89/87/71/389898771.db2.gz XMYVATZQBSNAMQ-CTASWTNQSA-N 2 2 293.411 0.165 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)C[C@@H]1[NH+]1CCOCC1 ZINC000444271203 389898819 /nfs/dbraw/zinc/89/88/19/389898819.db2.gz XMYVATZQBSNAMQ-ORIJERBGSA-N 2 2 293.411 0.165 20 0 CCADLP CC(C)[C@@H](C[NH3+])C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000433176086 389903422 /nfs/dbraw/zinc/90/34/22/389903422.db2.gz QZCGBQXSNSGXOM-SNVBAGLBSA-N 2 2 297.403 0.713 20 0 CCADLP CC(C)c1nc(N2CC[C@H]([NH3+])C2)nc(N(C)C)[nH+]1 ZINC000420167621 389961641 /nfs/dbraw/zinc/96/16/41/389961641.db2.gz JGKBNTKGBIHYPW-VIFPVBQESA-N 2 2 250.350 0.598 20 0 CCADLP C[C@@H](O)[C@@H]1CCN(c2cc(N3CC[NH2+][C@H](C)C3)nc[nH+]2)C1 ZINC000420192154 389964383 /nfs/dbraw/zinc/96/43/83/389964383.db2.gz SFRGVOPCAODUDB-JHJVBQTASA-N 2 2 291.399 0.482 20 0 CCADLP C[C@@H](O)[C@H]1CCN(c2cc(N3CC[NH2+][C@H](C)C3)nc[nH+]2)C1 ZINC000420192155 389964438 /nfs/dbraw/zinc/96/44/38/389964438.db2.gz SFRGVOPCAODUDB-UPJWGTAASA-N 2 2 291.399 0.482 20 0 CCADLP C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N1CCSCC1 ZINC000435874130 389964594 /nfs/dbraw/zinc/96/45/94/389964594.db2.gz ZEGCFFXMUKUWOC-LBPRGKRZSA-N 2 2 271.430 0.636 20 0 CCADLP C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N1CCSCC1 ZINC000435874130 389964597 /nfs/dbraw/zinc/96/45/97/389964597.db2.gz ZEGCFFXMUKUWOC-LBPRGKRZSA-N 2 2 271.430 0.636 20 0 CCADLP C[NH2+]C[C@@H](C)CNc1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000420203307 389965358 /nfs/dbraw/zinc/96/53/58/389965358.db2.gz OCSDOTPRWLOKQG-LLVKDONJSA-N 2 2 292.387 0.022 20 0 CCADLP C[NH2+]C[C@@H](C)CNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000420203307 389965360 /nfs/dbraw/zinc/96/53/60/389965360.db2.gz OCSDOTPRWLOKQG-LLVKDONJSA-N 2 2 292.387 0.022 20 0 CCADLP C[C@H](O)CNc1cc(N[C@@H](C)CCC[NH3+])nc[nH+]1 ZINC000420263290 389975407 /nfs/dbraw/zinc/97/54/07/389975407.db2.gz NRFFKVOSCWERRD-UWVGGRQHSA-N 2 2 253.350 0.809 20 0 CCADLP C[C@H](O)CNc1cc(N[C@@H](C)CCC[NH3+])[nH+]cn1 ZINC000420263290 389975409 /nfs/dbraw/zinc/97/54/09/389975409.db2.gz NRFFKVOSCWERRD-UWVGGRQHSA-N 2 2 253.350 0.809 20 0 CCADLP C[NH2+]C[C@@H](C)CNc1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000420212229 389966366 /nfs/dbraw/zinc/96/63/66/389966366.db2.gz TZQCHQYFKMQRIO-VXGBXAGGSA-N 2 2 279.388 0.705 20 0 CCADLP C[NH2+]C[C@@H](C)CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000420212229 389966367 /nfs/dbraw/zinc/96/63/67/389966367.db2.gz TZQCHQYFKMQRIO-VXGBXAGGSA-N 2 2 279.388 0.705 20 0 CCADLP C[C@@H]1C[NH2+]CCN1c1cc[nH+]c(N2CCOCC2)n1 ZINC000420221399 389967643 /nfs/dbraw/zinc/96/76/43/389967643.db2.gz ZETYDBZLUGTRKK-LLVKDONJSA-N 2 2 263.345 0.111 20 0 CCADLP [NH3+]C1(CNc2cc(N3CCOCC3)[nH+]cn2)CCC1 ZINC000420231290 389969127 /nfs/dbraw/zinc/96/91/27/389969127.db2.gz RLDAPLCTAUDYHY-UHFFFAOYSA-N 2 2 263.345 0.607 20 0 CCADLP CCC[C@H](O)[C@@H](CO)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000419801329 389917169 /nfs/dbraw/zinc/91/71/69/389917169.db2.gz ANMRLBUVWRRKIC-OLZOCXBDSA-N 2 2 263.341 0.946 20 0 CCADLP C[NH+](C)CCC1CC[NH+](Cc2nnc3n2CCOC3)CC1 ZINC000436163693 389972704 /nfs/dbraw/zinc/97/27/04/389972704.db2.gz WZVJJAPTKBSHAL-UHFFFAOYSA-N 2 2 293.415 0.972 20 0 CCADLP C[NH+](C)Cc1ccc(S(=O)(=O)NCC[NH+]2CCC2)cc1 ZINC000433875265 389920385 /nfs/dbraw/zinc/92/03/85/389920385.db2.gz PQTQQLHYPBGNOC-UHFFFAOYSA-N 2 2 297.424 0.732 20 0 CCADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000420295662 389979364 /nfs/dbraw/zinc/97/93/64/389979364.db2.gz PRKNVJPHKPRDKV-STQMWFEESA-N 2 2 297.399 0.211 20 0 CCADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000420295662 389979366 /nfs/dbraw/zinc/97/93/66/389979366.db2.gz PRKNVJPHKPRDKV-STQMWFEESA-N 2 2 297.399 0.211 20 0 CCADLP c1ccc([C@@H]2C[N@H+](CCN3CC[NH2+]CC3)CCO2)cc1 ZINC000420296302 389979556 /nfs/dbraw/zinc/97/95/56/389979556.db2.gz BJIIXQSKRWVSIY-INIZCTEOSA-N 2 2 275.396 0.965 20 0 CCADLP c1ccc([C@@H]2C[N@@H+](CCN3CC[NH2+]CC3)CCO2)cc1 ZINC000420296302 389979557 /nfs/dbraw/zinc/97/95/57/389979557.db2.gz BJIIXQSKRWVSIY-INIZCTEOSA-N 2 2 275.396 0.965 20 0 CCADLP [NH3+]CC[N@H+](CCO)CCCOCc1ccccc1 ZINC000420312550 389981829 /nfs/dbraw/zinc/98/18/29/389981829.db2.gz SKZRFZFIFBJYRA-UHFFFAOYSA-N 2 2 252.358 0.846 20 0 CCADLP [NH3+]CC[N@@H+](CCO)CCCOCc1ccccc1 ZINC000420312550 389981833 /nfs/dbraw/zinc/98/18/33/389981833.db2.gz SKZRFZFIFBJYRA-UHFFFAOYSA-N 2 2 252.358 0.846 20 0 CCADLP COc1ccc([C@H](C[NH3+])C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000420315239 389982579 /nfs/dbraw/zinc/98/25/79/389982579.db2.gz LKDREQMVJJOCHX-OAHLLOKOSA-N 2 2 291.395 0.902 20 0 CCADLP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420350891 389988771 /nfs/dbraw/zinc/98/87/71/389988771.db2.gz IISYMLKCXNKSBZ-ZYHUDNBSSA-N 2 2 283.347 0.713 20 0 CCADLP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420350891 389988773 /nfs/dbraw/zinc/98/87/73/389988773.db2.gz IISYMLKCXNKSBZ-ZYHUDNBSSA-N 2 2 283.347 0.713 20 0 CCADLP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420350889 389988814 /nfs/dbraw/zinc/98/88/14/389988814.db2.gz IISYMLKCXNKSBZ-PWSUYJOCSA-N 2 2 283.347 0.713 20 0 CCADLP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420350889 389988816 /nfs/dbraw/zinc/98/88/16/389988816.db2.gz IISYMLKCXNKSBZ-PWSUYJOCSA-N 2 2 283.347 0.713 20 0 CCADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+](C)C[C@H](O)C[NH3+])c1 ZINC000420356026 389990790 /nfs/dbraw/zinc/99/07/90/389990790.db2.gz QEXDTZXVWJFWEE-QWHCGFSZSA-N 2 2 279.384 0.882 20 0 CCADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+](C)C[C@H](O)C[NH3+])c1 ZINC000420356026 389990791 /nfs/dbraw/zinc/99/07/91/389990791.db2.gz QEXDTZXVWJFWEE-QWHCGFSZSA-N 2 2 279.384 0.882 20 0 CCADLP [NH3+]C[C@H]([NH2+]CC(=O)NC[C@H]1CCCO1)C1CCCCC1 ZINC000420369743 389993511 /nfs/dbraw/zinc/99/35/11/389993511.db2.gz OLYMPSQLYSLNTB-KGLIPLIRSA-N 2 2 283.416 0.779 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000449443206 389994130 /nfs/dbraw/zinc/99/41/30/389994130.db2.gz QFYGLGUMLSNYOH-IJLUTSLNSA-N 2 2 277.434 0.244 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000449443206 389994131 /nfs/dbraw/zinc/99/41/31/389994131.db2.gz QFYGLGUMLSNYOH-IJLUTSLNSA-N 2 2 277.434 0.244 20 0 CCADLP C[C@@H]([NH3+])C[NH2+][C@H](CN1CCOCC1)c1ccccc1 ZINC000420374109 389994393 /nfs/dbraw/zinc/99/43/93/389994393.db2.gz NFWNQYKGVUUUBP-UKRRQHHQSA-N 2 2 263.385 0.997 20 0 CCADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000449616278 389994526 /nfs/dbraw/zinc/99/45/26/389994526.db2.gz CNCVPWKBUZVHJV-XJPIPGLHSA-N 2 2 273.327 0.616 20 0 CCADLP CCCCN(CC)C(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420384248 389995117 /nfs/dbraw/zinc/99/51/17/389995117.db2.gz GHSJJMPQQVRCSS-ZDUSSCGKSA-N 2 2 271.405 0.685 20 0 CCADLP CCCCN(CC)C(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420384248 389995120 /nfs/dbraw/zinc/99/51/20/389995120.db2.gz GHSJJMPQQVRCSS-ZDUSSCGKSA-N 2 2 271.405 0.685 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)C[C@@H](C)O1 ZINC000420387905 389995661 /nfs/dbraw/zinc/99/56/61/389995661.db2.gz WJOVUBJRYJNFOY-IIAWOOMASA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)C[C@@H](C)O1 ZINC000420387905 389995664 /nfs/dbraw/zinc/99/56/64/389995664.db2.gz WJOVUBJRYJNFOY-IIAWOOMASA-N 2 2 295.427 0.698 20 0 CCADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+](C)CCC[NH2+]C ZINC000420390892 389996338 /nfs/dbraw/zinc/99/63/38/389996338.db2.gz RORBHKIUBBGEHM-CYBMUJFWSA-N 2 2 299.415 0.472 20 0 CCADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC[NH2+]C ZINC000420390892 389996339 /nfs/dbraw/zinc/99/63/39/389996339.db2.gz RORBHKIUBBGEHM-CYBMUJFWSA-N 2 2 299.415 0.472 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420404598 389997711 /nfs/dbraw/zinc/99/77/11/389997711.db2.gz MHUXQJPWECOFSO-KBPBESRZSA-N 2 2 285.432 0.836 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420404598 389997713 /nfs/dbraw/zinc/99/77/13/389997713.db2.gz MHUXQJPWECOFSO-KBPBESRZSA-N 2 2 285.432 0.836 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NCC2CCC2)C[C@@H]1C[NH3+] ZINC000420416261 389999228 /nfs/dbraw/zinc/99/92/28/389999228.db2.gz VQIKUHZKAJNDIY-AAEUAGOBSA-N 2 2 253.390 0.819 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)NCC2CCC2)C[C@@H]1C[NH3+] ZINC000420416261 389999230 /nfs/dbraw/zinc/99/92/30/389999230.db2.gz VQIKUHZKAJNDIY-AAEUAGOBSA-N 2 2 253.390 0.819 20 0 CCADLP CCC[C@H]1C(=O)NCC[N@H+]1CCc1c[nH+]cn1C ZINC000459375568 390073754 /nfs/dbraw/zinc/07/37/54/390073754.db2.gz QFZBSYHMFBPKSJ-LBPRGKRZSA-N 2 2 250.346 0.563 20 0 CCADLP CCC[C@H]1C(=O)NCC[N@@H+]1CCc1c[nH+]cn1C ZINC000459375568 390073755 /nfs/dbraw/zinc/07/37/55/390073755.db2.gz QFZBSYHMFBPKSJ-LBPRGKRZSA-N 2 2 250.346 0.563 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000478950882 390081052 /nfs/dbraw/zinc/08/10/52/390081052.db2.gz BTEUOAMEUJDJCW-MJBXVCDLSA-N 2 2 282.432 0.127 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000488603185 390095037 /nfs/dbraw/zinc/09/50/37/390095037.db2.gz ASVXJHVKQIMWLD-AWEZNQCLSA-N 2 2 298.431 0.489 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000488603185 390095038 /nfs/dbraw/zinc/09/50/38/390095038.db2.gz ASVXJHVKQIMWLD-AWEZNQCLSA-N 2 2 298.431 0.489 20 0 CCADLP CC(C)[NH+](C)CCNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000488603185 390095039 /nfs/dbraw/zinc/09/50/39/390095039.db2.gz ASVXJHVKQIMWLD-AWEZNQCLSA-N 2 2 298.431 0.489 20 0 CCADLP CC(C)[NH+](C)CCNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000488603185 390095040 /nfs/dbraw/zinc/09/50/40/390095040.db2.gz ASVXJHVKQIMWLD-AWEZNQCLSA-N 2 2 298.431 0.489 20 0 CCADLP CCC[N@H+](CC)CCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000490124549 390104601 /nfs/dbraw/zinc/10/46/01/390104601.db2.gz DFIYAQDLWPNLNN-UHFFFAOYSA-N 2 2 266.393 0.812 20 0 CCADLP CCC[N@@H+](CC)CCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000490124549 390104602 /nfs/dbraw/zinc/10/46/02/390104602.db2.gz DFIYAQDLWPNLNN-UHFFFAOYSA-N 2 2 266.393 0.812 20 0 CCADLP C[NH+](C)CCN1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493180658 390120384 /nfs/dbraw/zinc/12/03/84/390120384.db2.gz ANWOWDYSEJJBKH-ONEGZZNKSA-N 2 2 277.372 0.129 20 0 CCADLP O=C(/C=C/c1[nH]cc[nH+]1)N1CC[NH+](CC2CC2)CC1 ZINC000493322169 390123268 /nfs/dbraw/zinc/12/32/68/390123268.db2.gz NEDKCSSYQFKRIQ-ONEGZZNKSA-N 2 2 260.341 0.977 20 0 CCADLP Cc1cncc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000579098127 390140811 /nfs/dbraw/zinc/14/08/11/390140811.db2.gz FBPPWRFKYQLLIS-CYBMUJFWSA-N 2 2 277.372 0.174 20 0 CCADLP Cc1cncc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000579098127 390140815 /nfs/dbraw/zinc/14/08/15/390140815.db2.gz FBPPWRFKYQLLIS-CYBMUJFWSA-N 2 2 277.372 0.174 20 0 CCADLP O=C1NCCN1[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000535747069 390150322 /nfs/dbraw/zinc/15/03/22/390150322.db2.gz XDDREBBTLAHPBV-GFCCVEGCSA-N 2 2 263.345 0.373 20 0 CCADLP O=C1NCCN1[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000535747069 390150327 /nfs/dbraw/zinc/15/03/27/390150327.db2.gz XDDREBBTLAHPBV-GFCCVEGCSA-N 2 2 263.345 0.373 20 0 CCADLP CCC[NH+]1CCC([NH2+]C[C@@H](C)S(C)(=O)=O)CC1 ZINC000538197875 390189406 /nfs/dbraw/zinc/18/94/06/390189406.db2.gz FIHGFYZQNPGLMZ-LLVKDONJSA-N 2 2 262.419 0.884 20 0 CCADLP C[N@@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000535834843 390154141 /nfs/dbraw/zinc/15/41/41/390154141.db2.gz WRLMZOFHSZIJSJ-LLVKDONJSA-N 2 2 262.357 0.994 20 0 CCADLP C[N@H+]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000535834843 390154143 /nfs/dbraw/zinc/15/41/43/390154143.db2.gz WRLMZOFHSZIJSJ-LLVKDONJSA-N 2 2 262.357 0.994 20 0 CCADLP CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000494224848 390159202 /nfs/dbraw/zinc/15/92/02/390159202.db2.gz WCUVSMFLAAUMPI-CYBMUJFWSA-N 2 2 284.404 0.053 20 0 CCADLP CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000494224848 390159203 /nfs/dbraw/zinc/15/92/03/390159203.db2.gz WCUVSMFLAAUMPI-CYBMUJFWSA-N 2 2 284.404 0.053 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000494288335 390162822 /nfs/dbraw/zinc/16/28/22/390162822.db2.gz RFVPHJAEBOJOSI-GXTWGEPZSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000494288335 390162824 /nfs/dbraw/zinc/16/28/24/390162824.db2.gz RFVPHJAEBOJOSI-GXTWGEPZSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@H](O)C[C@H](C)[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000579473469 390176904 /nfs/dbraw/zinc/17/69/04/390176904.db2.gz WMOOWKFTSGKZBD-QNSTZXKLSA-N 2 2 274.405 0.206 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCCCS(C)(=O)=O)C1 ZINC000647845787 390190861 /nfs/dbraw/zinc/19/08/61/390190861.db2.gz NMPNQCWCHRLVTK-RYUDHWBXSA-N 2 2 262.419 0.870 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCCCS(C)(=O)=O)C1 ZINC000647845787 390190863 /nfs/dbraw/zinc/19/08/63/390190863.db2.gz NMPNQCWCHRLVTK-RYUDHWBXSA-N 2 2 262.419 0.870 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000494663820 390190976 /nfs/dbraw/zinc/19/09/76/390190976.db2.gz FWQYWEVDCWQMPJ-YNEHKIRRSA-N 2 2 269.389 0.149 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CS(=O)(=O)CCO1 ZINC000539062625 390201656 /nfs/dbraw/zinc/20/16/56/390201656.db2.gz XNGGEGSZCWGOKA-FVCCEPFGSA-N 2 2 290.429 0.118 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CS(=O)(=O)CCO1 ZINC000539062625 390201657 /nfs/dbraw/zinc/20/16/57/390201657.db2.gz XNGGEGSZCWGOKA-FVCCEPFGSA-N 2 2 290.429 0.118 20 0 CCADLP CCN(CC)C(=O)N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647876104 390203410 /nfs/dbraw/zinc/20/34/10/390203410.db2.gz PSGMXGOJAXMLGB-ZDUSSCGKSA-N 2 2 268.405 0.675 20 0 CCADLP CCN(CC)C(=O)N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647876103 390203477 /nfs/dbraw/zinc/20/34/77/390203477.db2.gz PSGMXGOJAXMLGB-CYBMUJFWSA-N 2 2 268.405 0.675 20 0 CCADLP c1cc([C@@H]2CCC[N@@H+](CCN3CC[NH2+]CC3)C2)[nH]n1 ZINC000647881010 390205178 /nfs/dbraw/zinc/20/51/78/390205178.db2.gz SUFFEADRXGFRPI-CYBMUJFWSA-N 2 2 263.389 0.494 20 0 CCADLP c1cc([C@@H]2CCC[N@H+](CCN3CC[NH2+]CC3)C2)[nH]n1 ZINC000647881010 390205181 /nfs/dbraw/zinc/20/51/81/390205181.db2.gz SUFFEADRXGFRPI-CYBMUJFWSA-N 2 2 263.389 0.494 20 0 CCADLP CC[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)CS(=O)(=O)CC ZINC000647885780 390208183 /nfs/dbraw/zinc/20/81/83/390208183.db2.gz PMSZCGMVNUWLAY-NWDGAFQWSA-N 2 2 262.419 0.741 20 0 CCADLP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)CS(=O)(=O)CC ZINC000647885780 390208184 /nfs/dbraw/zinc/20/81/84/390208184.db2.gz PMSZCGMVNUWLAY-NWDGAFQWSA-N 2 2 262.419 0.741 20 0 CCADLP CC(C)(O)C[NH+]1CCC([NH2+]Cc2cc[nH]n2)CC1 ZINC000647908958 390214687 /nfs/dbraw/zinc/21/46/87/390214687.db2.gz AIAJFWOXMFWSFK-UHFFFAOYSA-N 2 2 252.362 0.735 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)NC[C@H]2CCC[NH+]2C)CCO1 ZINC000495140256 390218873 /nfs/dbraw/zinc/21/88/73/390218873.db2.gz NRKSYIVXMNHBTD-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)NC[C@H]2CCC[NH+]2C)CCO1 ZINC000495140256 390218875 /nfs/dbraw/zinc/21/88/75/390218875.db2.gz NRKSYIVXMNHBTD-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H]1C[NH+](CCNC(=O)NC[C@H]2CCC[N@@H+]2C)CCO1 ZINC000495140256 390218876 /nfs/dbraw/zinc/21/88/76/390218876.db2.gz NRKSYIVXMNHBTD-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H]1C[NH+](CCNC(=O)NC[C@H]2CCC[N@H+]2C)CCO1 ZINC000495140256 390218878 /nfs/dbraw/zinc/21/88/78/390218878.db2.gz NRKSYIVXMNHBTD-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494700905 390194588 /nfs/dbraw/zinc/19/45/88/390194588.db2.gz BRTULZHPXJNYNO-CYBMUJFWSA-N 2 2 283.416 0.746 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494700905 390194593 /nfs/dbraw/zinc/19/45/93/390194593.db2.gz BRTULZHPXJNYNO-CYBMUJFWSA-N 2 2 283.416 0.746 20 0 CCADLP CCc1noc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)n1 ZINC000647983549 390238303 /nfs/dbraw/zinc/23/83/03/390238303.db2.gz MTMVJLVJUHXTKY-RISCZKNCSA-N 2 2 280.372 0.960 20 0 CCADLP Fc1cccnc1N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647989214 390240011 /nfs/dbraw/zinc/24/00/11/390240011.db2.gz XYNSBZBRUULWNH-GFCCVEGCSA-N 2 2 264.348 0.952 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000647962513 390230212 /nfs/dbraw/zinc/23/02/12/390230212.db2.gz BHFISWFSDUIZFI-OAHLLOKOSA-N 2 2 297.443 0.774 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000647962513 390230215 /nfs/dbraw/zinc/23/02/15/390230215.db2.gz BHFISWFSDUIZFI-OAHLLOKOSA-N 2 2 297.443 0.774 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)C1(C(N)=O)CCCC1 ZINC000647968899 390233188 /nfs/dbraw/zinc/23/31/88/390233188.db2.gz AKHKDLXXEXUHMD-LBPRGKRZSA-N 2 2 271.405 0.417 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)C1(C(N)=O)CCCC1 ZINC000647968899 390233192 /nfs/dbraw/zinc/23/31/92/390233192.db2.gz AKHKDLXXEXUHMD-LBPRGKRZSA-N 2 2 271.405 0.417 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)C1(C(N)=O)CCCC1 ZINC000647968899 390233196 /nfs/dbraw/zinc/23/31/96/390233196.db2.gz AKHKDLXXEXUHMD-LBPRGKRZSA-N 2 2 271.405 0.417 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)C1(C(N)=O)CCCC1 ZINC000647968899 390233198 /nfs/dbraw/zinc/23/31/98/390233198.db2.gz AKHKDLXXEXUHMD-LBPRGKRZSA-N 2 2 271.405 0.417 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)[C@@H]2CCCO2)C[N@@H+]1C1CC1 ZINC000527756164 285364673 /nfs/dbraw/zinc/36/46/73/285364673.db2.gz DLZXYXIUZBGHMR-WVWOOGAGSA-N 2 2 254.374 0.741 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)[C@@H]2CCCO2)C[N@H+]1C1CC1 ZINC000527756164 285364675 /nfs/dbraw/zinc/36/46/75/285364675.db2.gz DLZXYXIUZBGHMR-WVWOOGAGSA-N 2 2 254.374 0.741 20 0 CCADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCCCS2(=O)=O)n1C ZINC000583576002 390295901 /nfs/dbraw/zinc/29/59/01/390295901.db2.gz ZCBRDRJDIJLMTF-GFCCVEGCSA-N 2 2 271.386 0.785 20 0 CCADLP CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647995401 390243938 /nfs/dbraw/zinc/24/39/38/390243938.db2.gz VEZBIZSBVFUUQN-DOMZBBRYSA-N 2 2 273.380 0.769 20 0 CCADLP CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647995401 390243941 /nfs/dbraw/zinc/24/39/41/390243941.db2.gz VEZBIZSBVFUUQN-DOMZBBRYSA-N 2 2 273.380 0.769 20 0 CCADLP CN1C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1=O ZINC000644535587 390248036 /nfs/dbraw/zinc/24/80/36/390248036.db2.gz WDNNDIKOWVITSU-LSDHHAIUSA-N 2 2 291.395 0.300 20 0 CCADLP CN1C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1=O ZINC000644535587 390248040 /nfs/dbraw/zinc/24/80/40/390248040.db2.gz WDNNDIKOWVITSU-LSDHHAIUSA-N 2 2 291.395 0.300 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1CNC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000644559506 390252832 /nfs/dbraw/zinc/25/28/32/390252832.db2.gz ANHSDEJCRUUBMF-HOTGVXAUSA-N 2 2 298.475 0.059 20 0 CCADLP CC[N@H+]1CCCC[C@H]1CNC[C@H](O)C[NH+]1CCN(C)CC1 ZINC000644559506 390252835 /nfs/dbraw/zinc/25/28/35/390252835.db2.gz ANHSDEJCRUUBMF-HOTGVXAUSA-N 2 2 298.475 0.059 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC23CCC(CC2)C3)[C@H](C[NH3+])C1 ZINC000582231122 390270888 /nfs/dbraw/zinc/27/08/88/390270888.db2.gz MBIOJDGBKBMZNL-JVWICGRDSA-N 2 2 280.416 0.851 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC23CCC(CC2)C3)[C@H](C[NH3+])C1 ZINC000582231122 390270889 /nfs/dbraw/zinc/27/08/89/390270889.db2.gz MBIOJDGBKBMZNL-JVWICGRDSA-N 2 2 280.416 0.851 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000582236445 390272214 /nfs/dbraw/zinc/27/22/14/390272214.db2.gz VTVACOJWEQZLFK-AWEZNQCLSA-N 2 2 277.368 0.330 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000582236445 390272220 /nfs/dbraw/zinc/27/22/20/390272220.db2.gz VTVACOJWEQZLFK-AWEZNQCLSA-N 2 2 277.368 0.330 20 0 CCADLP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000644641331 390273739 /nfs/dbraw/zinc/27/37/39/390273739.db2.gz SABYDLPEVJUUJY-OCCSQVGLSA-N 2 2 278.400 0.842 20 0 CCADLP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000644641331 390273740 /nfs/dbraw/zinc/27/37/40/390273740.db2.gz SABYDLPEVJUUJY-OCCSQVGLSA-N 2 2 278.400 0.842 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+][C@H]2CCCOC2)C[C@H](C)O1 ZINC000644648513 390275626 /nfs/dbraw/zinc/27/56/26/390275626.db2.gz MVRBHBIEAGSKHO-CRWXNKLISA-N 2 2 272.389 0.225 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+][C@H]2CCCOC2)C[C@H](C)O1 ZINC000644648513 390275628 /nfs/dbraw/zinc/27/56/28/390275628.db2.gz MVRBHBIEAGSKHO-CRWXNKLISA-N 2 2 272.389 0.225 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@H]2CCCOC2)C[C@H](C)O1 ZINC000644648515 390276125 /nfs/dbraw/zinc/27/61/25/390276125.db2.gz MVRBHBIEAGSKHO-RFQIPJPRSA-N 2 2 272.389 0.225 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@H]2CCCOC2)C[C@H](C)O1 ZINC000644648515 390276129 /nfs/dbraw/zinc/27/61/29/390276129.db2.gz MVRBHBIEAGSKHO-RFQIPJPRSA-N 2 2 272.389 0.225 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCCCCn1cc[nH+]c1 ZINC000543094314 390277897 /nfs/dbraw/zinc/27/78/97/390277897.db2.gz GPSONWLKZZVSNE-CQSZACIVSA-N 2 2 294.399 0.748 20 0 CCADLP C[C@@H](CC(=O)NCCc1cn(C)c[nH+]1)n1cc[nH+]c1 ZINC000583266474 390279395 /nfs/dbraw/zinc/27/93/95/390279395.db2.gz LEILQZKWUFDOJT-NSHDSACASA-N 2 2 261.329 0.927 20 0 CCADLP C[C@H](CC(=O)NCCc1cn(C)c[nH+]1)n1cc[nH+]c1 ZINC000583266473 390279491 /nfs/dbraw/zinc/27/94/91/390279491.db2.gz LEILQZKWUFDOJT-LLVKDONJSA-N 2 2 261.329 0.927 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000583273328 390280408 /nfs/dbraw/zinc/28/04/08/390280408.db2.gz NNDASYGVGRUAMX-MCIONIFRSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000583273328 390280409 /nfs/dbraw/zinc/28/04/09/390280409.db2.gz NNDASYGVGRUAMX-MCIONIFRSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000583273328 390280410 /nfs/dbraw/zinc/28/04/10/390280410.db2.gz NNDASYGVGRUAMX-MCIONIFRSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000583273328 390280411 /nfs/dbraw/zinc/28/04/11/390280411.db2.gz NNDASYGVGRUAMX-MCIONIFRSA-N 2 2 281.400 0.308 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000547283543 390366109 /nfs/dbraw/zinc/36/61/09/390366109.db2.gz UDAUFWUUUGOUJW-OAHLLOKOSA-N 3 2 267.417 0.517 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000547283543 390366111 /nfs/dbraw/zinc/36/61/11/390366111.db2.gz UDAUFWUUUGOUJW-OAHLLOKOSA-N 3 2 267.417 0.517 20 0 CCADLP CNC(=O)OC[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000496102598 390300634 /nfs/dbraw/zinc/30/06/34/390300634.db2.gz SKHVGAHHZOZSNU-KGLIPLIRSA-N 2 2 299.415 0.652 20 0 CCADLP CNC(=O)OC[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000496102598 390300637 /nfs/dbraw/zinc/30/06/37/390300637.db2.gz SKHVGAHHZOZSNU-KGLIPLIRSA-N 2 2 299.415 0.652 20 0 CCADLP CNC(=O)OC[C@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000496102598 390300641 /nfs/dbraw/zinc/30/06/41/390300641.db2.gz SKHVGAHHZOZSNU-KGLIPLIRSA-N 2 2 299.415 0.652 20 0 CCADLP CNC(=O)OC[C@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000496102598 390300646 /nfs/dbraw/zinc/30/06/46/390300646.db2.gz SKHVGAHHZOZSNU-KGLIPLIRSA-N 2 2 299.415 0.652 20 0 CCADLP CC1CCC(O)(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000583748208 390307251 /nfs/dbraw/zinc/30/72/51/390307251.db2.gz USENAZWWUQKVOV-SHARSMKWSA-N 2 2 269.433 0.763 20 0 CCADLP CC1CCC(O)(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000583748208 390307253 /nfs/dbraw/zinc/30/72/53/390307253.db2.gz USENAZWWUQKVOV-SHARSMKWSA-N 2 2 269.433 0.763 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000583760668 390309018 /nfs/dbraw/zinc/30/90/18/390309018.db2.gz IGHUQIDYFVDUHD-AEGPPILISA-N 2 2 286.416 0.425 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000583760668 390309020 /nfs/dbraw/zinc/30/90/20/390309020.db2.gz IGHUQIDYFVDUHD-AEGPPILISA-N 2 2 286.416 0.425 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000583760668 390309023 /nfs/dbraw/zinc/30/90/23/390309023.db2.gz IGHUQIDYFVDUHD-AEGPPILISA-N 2 2 286.416 0.425 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCN(c2cc[nH+]cc2C(N)=O)C1 ZINC000545166840 390316022 /nfs/dbraw/zinc/31/60/22/390316022.db2.gz GYOQUIZXBVQFMO-SNVBAGLBSA-N 2 2 271.324 0.908 20 0 CCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000583876440 390320716 /nfs/dbraw/zinc/32/07/16/390320716.db2.gz RYWTXDRKNOIMIM-KBPBESRZSA-N 2 2 293.415 0.586 20 0 CCADLP CN(CCC[NH+]1CCCC1)C(=O)Cc1c[nH+]cn1C ZINC000545280005 390321410 /nfs/dbraw/zinc/32/14/10/390321410.db2.gz PRBRYCXPPMIZOA-UHFFFAOYSA-N 2 2 264.373 0.907 20 0 CCADLP C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000583889523 390321791 /nfs/dbraw/zinc/32/17/91/390321791.db2.gz NJDKCGPANCRSEZ-STQMWFEESA-N 2 2 276.384 0.856 20 0 CCADLP C[NH2+][C@@H](C)C(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000583944076 390326847 /nfs/dbraw/zinc/32/68/47/390326847.db2.gz BLXXMGCBKHEJBZ-NSHDSACASA-N 2 2 280.372 0.544 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)n1C ZINC000583945816 390327628 /nfs/dbraw/zinc/32/76/28/390327628.db2.gz HKMHXWAMWXHCQD-LBPRGKRZSA-N 3 2 265.405 0.454 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1nnnn1CC1CC1 ZINC000546024167 390343581 /nfs/dbraw/zinc/34/35/81/390343581.db2.gz NEDNXEMJYLVTTK-WZRBSPASSA-N 2 2 278.404 0.901 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1nnnn1CC1CC1 ZINC000546024167 390343584 /nfs/dbraw/zinc/34/35/84/390343584.db2.gz NEDNXEMJYLVTTK-WZRBSPASSA-N 2 2 278.404 0.901 20 0 CCADLP CN(C)c1ccc(CNc2cc[nH+]cc2C(N)=O)c[nH+]1 ZINC000546578185 390350397 /nfs/dbraw/zinc/35/03/97/390350397.db2.gz JPRNJTNFTONQLF-UHFFFAOYSA-N 2 2 271.324 0.676 20 0 CCADLP Cc1ncc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c(=O)[nH]1 ZINC000584523995 390351779 /nfs/dbraw/zinc/35/17/79/390351779.db2.gz UGCUUNCAIPEWPA-OLZOCXBDSA-N 2 2 278.356 0.347 20 0 CCADLP COc1nccnc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000648450865 390373756 /nfs/dbraw/zinc/37/37/56/390373756.db2.gz PBLFGRIWEQVKAE-NSHDSACASA-N 2 2 250.346 0.917 20 0 CCADLP COc1nccnc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000648450865 390373758 /nfs/dbraw/zinc/37/37/58/390373758.db2.gz PBLFGRIWEQVKAE-NSHDSACASA-N 2 2 250.346 0.917 20 0 CCADLP CCOC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000496919799 390385425 /nfs/dbraw/zinc/38/54/25/390385425.db2.gz KEHGDAUPLAPKAZ-TZMCWYRMSA-N 2 2 299.415 0.652 20 0 CCADLP CCOC(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000496919799 390385431 /nfs/dbraw/zinc/38/54/31/390385431.db2.gz KEHGDAUPLAPKAZ-TZMCWYRMSA-N 2 2 299.415 0.652 20 0 CCADLP CCOC(=O)N[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000496919799 390385438 /nfs/dbraw/zinc/38/54/38/390385438.db2.gz KEHGDAUPLAPKAZ-TZMCWYRMSA-N 2 2 299.415 0.652 20 0 CCADLP CCOC(=O)N[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000496919799 390385443 /nfs/dbraw/zinc/38/54/43/390385443.db2.gz KEHGDAUPLAPKAZ-TZMCWYRMSA-N 2 2 299.415 0.652 20 0 CCADLP CN(CC[N@H+](C)C1CC1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000547675516 390391160 /nfs/dbraw/zinc/39/11/60/390391160.db2.gz KFEDQFZUFYEZFM-LBPRGKRZSA-N 2 2 291.399 0.934 20 0 CCADLP CN(CC[N@@H+](C)C1CC1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000547675516 390391165 /nfs/dbraw/zinc/39/11/65/390391165.db2.gz KFEDQFZUFYEZFM-LBPRGKRZSA-N 2 2 291.399 0.934 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000517738610 390490762 /nfs/dbraw/zinc/49/07/62/390490762.db2.gz WUFMZHFCGMVQJW-DCAQKATOSA-N 2 2 265.361 0.623 20 0 CCADLP CC(C)[N@@H+]1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000519369001 390496054 /nfs/dbraw/zinc/49/60/54/390496054.db2.gz LRRQGTHJBWPYEY-UHFFFAOYSA-N 2 2 264.373 0.905 20 0 CCADLP CC(C)[N@H+]1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000519369001 390496059 /nfs/dbraw/zinc/49/60/59/390496059.db2.gz LRRQGTHJBWPYEY-UHFFFAOYSA-N 2 2 264.373 0.905 20 0 CCADLP CC1(C)C[NH2+][C@@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000645843379 390508832 /nfs/dbraw/zinc/50/88/32/390508832.db2.gz OGOKAJYJQOTPRG-LLVKDONJSA-N 2 2 269.389 0.211 20 0 CCADLP CC1(C)C[NH2+][C@@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000645843379 390508835 /nfs/dbraw/zinc/50/88/35/390508835.db2.gz OGOKAJYJQOTPRG-LLVKDONJSA-N 2 2 269.389 0.211 20 0 CCADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC000565423805 390512285 /nfs/dbraw/zinc/51/22/85/390512285.db2.gz PZTAJRLDZPRUOF-KCQAQPDRSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC000565423805 390512289 /nfs/dbraw/zinc/51/22/89/390512289.db2.gz PZTAJRLDZPRUOF-KCQAQPDRSA-N 2 2 288.395 0.998 20 0 CCADLP OCC1CCC([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000643471211 390450660 /nfs/dbraw/zinc/45/06/60/390450660.db2.gz DGYGNXDEUSBGLY-AXVKAWJUSA-N 2 2 268.401 0.894 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCC(=O)Nc1ccccn1 ZINC000643469680 390450939 /nfs/dbraw/zinc/45/09/39/390450939.db2.gz ZSHNSLNFRBZPIB-RYUDHWBXSA-N 2 2 262.357 0.998 20 0 CCADLP OCC1(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CCC1 ZINC000643480606 390453419 /nfs/dbraw/zinc/45/34/19/390453419.db2.gz FZANHCDYGGZUTB-CHWSQXEVSA-N 2 2 254.374 0.506 20 0 CCADLP COC(=O)N1CC([NH2+][C@@H](C)c2c[nH+]ccc2N)C1 ZINC000497307464 390454975 /nfs/dbraw/zinc/45/49/75/390454975.db2.gz VMKBNQOJHPYWNT-QMMMGPOBSA-N 2 2 250.302 0.595 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000514854755 390469789 /nfs/dbraw/zinc/46/97/89/390469789.db2.gz KRAHGEKOFNFOTP-LPWJVIDDSA-N 2 2 274.430 0.930 20 0 CCADLP CS(=O)(=O)C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000556193958 390476424 /nfs/dbraw/zinc/47/64/24/390476424.db2.gz XXAOGMUEWAMMSQ-ZWNOBZJWSA-N 2 2 283.397 0.680 20 0 CCADLP CS(=O)(=O)C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000556193958 390476428 /nfs/dbraw/zinc/47/64/28/390476428.db2.gz XXAOGMUEWAMMSQ-ZWNOBZJWSA-N 2 2 283.397 0.680 20 0 CCADLP Cc1noc(C)c1[C@H](C)CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000515842275 390477919 /nfs/dbraw/zinc/47/79/19/390477919.db2.gz VILMQWWGYZEMDI-ZWNOBZJWSA-N 2 2 294.399 0.886 20 0 CCADLP Cc1noc(C)c1[C@H](C)CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000515842275 390477923 /nfs/dbraw/zinc/47/79/23/390477923.db2.gz VILMQWWGYZEMDI-ZWNOBZJWSA-N 2 2 294.399 0.886 20 0 CCADLP CCCc1cc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])n(C)n1 ZINC000516425505 390481176 /nfs/dbraw/zinc/48/11/76/390481176.db2.gz KXPIQBJKZXDLKI-LBPRGKRZSA-N 2 2 294.403 0.479 20 0 CCADLP CCCc1cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])n(C)n1 ZINC000516425505 390481177 /nfs/dbraw/zinc/48/11/77/390481177.db2.gz KXPIQBJKZXDLKI-LBPRGKRZSA-N 2 2 294.403 0.479 20 0 CCADLP CCC[C@]1(CO)CCC[N@@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000520604361 390584783 /nfs/dbraw/zinc/58/47/83/390584783.db2.gz QISOLMOQILBOEJ-LSDHHAIUSA-N 2 2 288.432 0.553 20 0 CCADLP CCC[C@]1(CO)CCC[N@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000520604361 390584785 /nfs/dbraw/zinc/58/47/85/390584785.db2.gz QISOLMOQILBOEJ-LSDHHAIUSA-N 2 2 288.432 0.553 20 0 CCADLP CCC[C@]1(CO)CCC[NH+]1C[C@@H](O)C[N@H+](C)CCOC ZINC000520604361 390584788 /nfs/dbraw/zinc/58/47/88/390584788.db2.gz QISOLMOQILBOEJ-LSDHHAIUSA-N 2 2 288.432 0.553 20 0 CCADLP CCC[C@]1(CO)CCC[NH+]1C[C@@H](O)C[N@@H+](C)CCOC ZINC000520604361 390584790 /nfs/dbraw/zinc/58/47/90/390584790.db2.gz QISOLMOQILBOEJ-LSDHHAIUSA-N 2 2 288.432 0.553 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCc2cccnc2)C[C@@H](C)O1 ZINC000519639309 390521290 /nfs/dbraw/zinc/52/12/90/390521290.db2.gz NAEWAIWSQPMNTO-FMKPAKJESA-N 2 2 293.411 0.684 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)[C@@H]1C[NH2+]CCC1(F)F ZINC000649332811 390588989 /nfs/dbraw/zinc/58/89/89/390588989.db2.gz JMAQUHFVNDAWKH-QMMMGPOBSA-N 2 2 258.272 0.313 20 0 CCADLP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000649211614 390524685 /nfs/dbraw/zinc/52/46/85/390524685.db2.gz XIMRSGPDWHMJPJ-QWHCGFSZSA-N 2 2 276.384 0.904 20 0 CCADLP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000649211614 390524688 /nfs/dbraw/zinc/52/46/88/390524688.db2.gz XIMRSGPDWHMJPJ-QWHCGFSZSA-N 2 2 276.384 0.904 20 0 CCADLP C[C@H]1C[N@H+](C)CCN1C(=O)[C@H]([NH3+])c1cscn1 ZINC000649332252 390589255 /nfs/dbraw/zinc/58/92/55/390589255.db2.gz JRJSMEPZIKXSOM-WCBMZHEXSA-N 2 2 254.359 0.305 20 0 CCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]([NH3+])c1cscn1 ZINC000649332252 390589256 /nfs/dbraw/zinc/58/92/56/390589256.db2.gz JRJSMEPZIKXSOM-WCBMZHEXSA-N 2 2 254.359 0.305 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](Cc1ccncc1)C1CC1 ZINC000565607270 390528967 /nfs/dbraw/zinc/52/89/67/390528967.db2.gz ORZMEEGDJHCSBS-INIZCTEOSA-N 2 2 293.411 0.985 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](Cc1ccncc1)C1CC1 ZINC000565607270 390528969 /nfs/dbraw/zinc/52/89/69/390528969.db2.gz ORZMEEGDJHCSBS-INIZCTEOSA-N 2 2 293.411 0.985 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](Cc1ccncc1)C1CC1 ZINC000565607270 390528972 /nfs/dbraw/zinc/52/89/72/390528972.db2.gz ORZMEEGDJHCSBS-INIZCTEOSA-N 2 2 293.411 0.985 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000649334241 390589544 /nfs/dbraw/zinc/58/95/44/390589544.db2.gz VZDWJKDDJVHWMX-IPYPFGDCSA-N 3 2 296.459 0.645 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000649334241 390589549 /nfs/dbraw/zinc/58/95/49/390589549.db2.gz VZDWJKDDJVHWMX-IPYPFGDCSA-N 3 2 296.459 0.645 20 0 CCADLP C[N@@H+]1CCN(C(=O)CNc2cccc(Cl)c2)[C@@H](C[NH3+])C1 ZINC000649274879 390543175 /nfs/dbraw/zinc/54/31/75/390543175.db2.gz YSQAYLYMTZBOLO-ZDUSSCGKSA-N 2 2 296.802 0.853 20 0 CCADLP C[N@H+]1CCN(C(=O)CNc2cccc(Cl)c2)[C@@H](C[NH3+])C1 ZINC000649274879 390543182 /nfs/dbraw/zinc/54/31/82/390543182.db2.gz YSQAYLYMTZBOLO-ZDUSSCGKSA-N 2 2 296.802 0.853 20 0 CCADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000645957511 390548617 /nfs/dbraw/zinc/54/86/17/390548617.db2.gz RFWMUGVRJRFFIM-CQSZACIVSA-N 2 2 291.395 0.287 20 0 CCADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000645957511 390548620 /nfs/dbraw/zinc/54/86/20/390548620.db2.gz RFWMUGVRJRFFIM-CQSZACIVSA-N 2 2 291.395 0.287 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCSC[C@H]1CC(=O)OC ZINC000565870914 390553637 /nfs/dbraw/zinc/55/36/37/390553637.db2.gz MXFFEMIZFOQABN-VXGBXAGGSA-N 2 2 290.429 0.280 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCSC[C@H]1CC(=O)OC ZINC000565870914 390553643 /nfs/dbraw/zinc/55/36/43/390553643.db2.gz MXFFEMIZFOQABN-VXGBXAGGSA-N 2 2 290.429 0.280 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCSC[C@H]1CC(=O)OC ZINC000565870914 390553647 /nfs/dbraw/zinc/55/36/47/390553647.db2.gz MXFFEMIZFOQABN-VXGBXAGGSA-N 2 2 290.429 0.280 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCSC[C@H]1CC(=O)OC ZINC000565870914 390553652 /nfs/dbraw/zinc/55/36/52/390553652.db2.gz MXFFEMIZFOQABN-VXGBXAGGSA-N 2 2 290.429 0.280 20 0 CCADLP CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645977476 390555478 /nfs/dbraw/zinc/55/54/78/390555478.db2.gz BBEUPDNGWCPDAL-WCQYABFASA-N 3 2 268.405 0.008 20 0 CCADLP CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645977476 390555482 /nfs/dbraw/zinc/55/54/82/390555482.db2.gz BBEUPDNGWCPDAL-WCQYABFASA-N 3 2 268.405 0.008 20 0 CCADLP C[NH2+][C@@H]1CC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000566069184 390573601 /nfs/dbraw/zinc/57/36/01/390573601.db2.gz YCYXHJYPJOOTGL-OAHLLOKOSA-N 3 2 268.449 0.696 20 0 CCADLP COc1cccnc1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000566088858 390576183 /nfs/dbraw/zinc/57/61/83/390576183.db2.gz CYNJGXPTYYTHSA-HUUCEWRRSA-N 2 2 277.368 0.947 20 0 CCADLP COCC[NH2+]C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000522004420 390620011 /nfs/dbraw/zinc/62/00/11/390620011.db2.gz OTQHDANMHKMOMC-CYBMUJFWSA-N 3 2 255.406 0.686 20 0 CCADLP C[C@H]([NH3+])CCNc1cc(NCC[C@H](C)[NH3+])[nH+]cn1 ZINC000522013432 390622116 /nfs/dbraw/zinc/62/21/16/390622116.db2.gz HVCJZMQWIBZKKB-UWVGGRQHSA-N 3 2 252.366 0.197 20 0 CCADLP C[C@@H]1C[C@@H](N(C)C(=O)Cn2cc[nH+]c2)CC[N@@H+]1C ZINC000522050185 390624278 /nfs/dbraw/zinc/62/42/78/390624278.db2.gz ZUVHRNJLIGPEEY-NEPJUHHUSA-N 2 2 250.346 0.824 20 0 CCADLP C[C@@H]1C[C@@H](N(C)C(=O)Cn2cc[nH+]c2)CC[N@H+]1C ZINC000522050185 390624282 /nfs/dbraw/zinc/62/42/82/390624282.db2.gz ZUVHRNJLIGPEEY-NEPJUHHUSA-N 2 2 250.346 0.824 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000566615701 390633106 /nfs/dbraw/zinc/63/31/06/390633106.db2.gz UKYIUZGQJAONAU-LBPRGKRZSA-N 2 2 294.355 0.139 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)[C@H](C[NH3+])C1 ZINC000566668178 390636586 /nfs/dbraw/zinc/63/65/86/390636586.db2.gz ZYAKMVSBJZBAPF-SYQHCUMBSA-N 2 2 296.415 0.228 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)[C@H](C[NH3+])C1 ZINC000566668178 390636588 /nfs/dbraw/zinc/63/65/88/390636588.db2.gz ZYAKMVSBJZBAPF-SYQHCUMBSA-N 2 2 296.415 0.228 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000566677319 390638055 /nfs/dbraw/zinc/63/80/55/390638055.db2.gz PKTBBYIANOGLLD-VIFPVBQESA-N 2 2 295.387 0.623 20 0 CCADLP CC1(C)C[NH2+][C@@H]1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000646241730 390646982 /nfs/dbraw/zinc/64/69/82/390646982.db2.gz GKYQHLJEBJVEFJ-GFCCVEGCSA-N 2 2 258.325 0.949 20 0 CCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000646265095 390653420 /nfs/dbraw/zinc/65/34/20/390653420.db2.gz LINDBVLLUOPRIP-XQQFMLRXSA-N 2 2 274.368 0.775 20 0 CCADLP COCC[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000566406943 390596634 /nfs/dbraw/zinc/59/66/34/390596634.db2.gz IJRCBCMPQUVIMQ-LLVKDONJSA-N 2 2 254.334 0.186 20 0 CCADLP C[NH+]1CCC2(CC1)C[N@H+](CC(=O)N1CCCCC1)CCO2 ZINC000646103445 390598423 /nfs/dbraw/zinc/59/84/23/390598423.db2.gz SQSMGDRWDDDXRL-UHFFFAOYSA-N 2 2 295.427 0.796 20 0 CCADLP C[NH+]1CCC2(CC1)C[N@@H+](CC(=O)N1CCCCC1)CCO2 ZINC000646103445 390598425 /nfs/dbraw/zinc/59/84/25/390598425.db2.gz SQSMGDRWDDDXRL-UHFFFAOYSA-N 2 2 295.427 0.796 20 0 CCADLP FC(F)Cn1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000646105025 390599496 /nfs/dbraw/zinc/59/94/96/390599496.db2.gz FOJOAHJPGZUCKT-QWRGUYRKSA-N 2 2 256.300 0.799 20 0 CCADLP c1c[nH+]c(CN2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)[nH]1 ZINC000521253052 390601903 /nfs/dbraw/zinc/60/19/03/390601903.db2.gz TVOQFJMBFZJHNG-ZDUSSCGKSA-N 3 2 263.389 0.527 20 0 CCADLP C[C@H](CNC(=O)CCC(C)(C)[NH3+])[NH+]1CCN(C)CC1 ZINC000649352096 390603298 /nfs/dbraw/zinc/60/32/98/390603298.db2.gz QMNLBOKCRLEBEN-GFCCVEGCSA-N 2 2 270.421 0.256 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000649366268 390606963 /nfs/dbraw/zinc/60/69/63/390606963.db2.gz IFDWGENAESSBMK-BDAKNGLRSA-N 2 2 267.295 0.867 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000649366268 390606969 /nfs/dbraw/zinc/60/69/69/390606969.db2.gz IFDWGENAESSBMK-BDAKNGLRSA-N 2 2 267.295 0.867 20 0 CCADLP COC[C@H](O)C[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000571294676 390729708 /nfs/dbraw/zinc/72/97/08/390729708.db2.gz AWYKJWMUTRMCCM-TZMCWYRMSA-N 2 2 272.389 0.179 20 0 CCADLP COC[C@H](O)C[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000571294676 390729710 /nfs/dbraw/zinc/72/97/10/390729710.db2.gz AWYKJWMUTRMCCM-TZMCWYRMSA-N 2 2 272.389 0.179 20 0 CCADLP [NH3+]C[C@H]1CN(C(=O)[C@H]([NH3+])c2c(F)cccc2F)CCO1 ZINC000571325590 390731193 /nfs/dbraw/zinc/73/11/93/390731193.db2.gz UMFGLVLTAVTYED-QPUJVOFHSA-N 2 2 285.294 0.151 20 0 CCADLP Cc1nc(N2CCN(C(=O)CC3([NH3+])CCC3)CC2)cc[nH+]1 ZINC000646482007 390688068 /nfs/dbraw/zinc/68/80/68/390688068.db2.gz WBKFMIXRAYACQP-UHFFFAOYSA-N 2 2 289.383 0.705 20 0 CCADLP COC1CCC(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000567361997 390694963 /nfs/dbraw/zinc/69/49/63/390694963.db2.gz GABOBLLUQBTYSK-MOKVOYLWSA-N 2 2 298.431 0.476 20 0 CCADLP COC1CCC(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000567361997 390694965 /nfs/dbraw/zinc/69/49/65/390694965.db2.gz GABOBLLUQBTYSK-MOKVOYLWSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H]([NH3+])CNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000647021916 390759617 /nfs/dbraw/zinc/75/96/17/390759617.db2.gz MINKDBBMGPKPKH-GFCCVEGCSA-N 2 2 277.368 0.596 20 0 CCADLP COC(=O)C[C@H]([NH3+])C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000572837679 390805820 /nfs/dbraw/zinc/80/58/20/390805820.db2.gz AHWKUKBBXTZWOD-JTQLQIEISA-N 2 2 280.328 0.006 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000572290250 390776722 /nfs/dbraw/zinc/77/67/22/390776722.db2.gz LFFXYDZGNODKBU-DGCLKSJQSA-N 2 2 257.378 0.341 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000572290250 390776723 /nfs/dbraw/zinc/77/67/23/390776723.db2.gz LFFXYDZGNODKBU-DGCLKSJQSA-N 2 2 257.378 0.341 20 0 CCADLP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[NH+](C)C[C@H]1C[NH3+] ZINC000572499276 390786665 /nfs/dbraw/zinc/78/66/65/390786665.db2.gz MESBRQFVLLSTPS-QWHCGFSZSA-N 3 2 285.436 0.001 20 0 CCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[NH+](C)C[C@H]1C[NH3+] ZINC000572499276 390786669 /nfs/dbraw/zinc/78/66/69/390786669.db2.gz MESBRQFVLLSTPS-QWHCGFSZSA-N 3 2 285.436 0.001 20 0 CCADLP CC[C@H](C)[NH+](C)CCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000572499276 390786670 /nfs/dbraw/zinc/78/66/70/390786670.db2.gz MESBRQFVLLSTPS-QWHCGFSZSA-N 3 2 285.436 0.001 20 0 CCADLP CC[C@H](C)[NH+](C)CCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000572499276 390786673 /nfs/dbraw/zinc/78/66/73/390786673.db2.gz MESBRQFVLLSTPS-QWHCGFSZSA-N 3 2 285.436 0.001 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000529070158 390790521 /nfs/dbraw/zinc/79/05/21/390790521.db2.gz QLYXZRTWVBPLNT-QWHCGFSZSA-N 2 2 280.372 0.105 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000572652293 390795274 /nfs/dbraw/zinc/79/52/74/390795274.db2.gz RHIWEAHGXGEITM-OAHLLOKOSA-N 2 2 263.385 0.779 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000529189825 390797411 /nfs/dbraw/zinc/79/74/11/390797411.db2.gz KYXQFNAAHAYKFR-CHWSQXEVSA-N 2 2 280.347 0.836 20 0 CCADLP Cn1nccc1CC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000571451138 390736444 /nfs/dbraw/zinc/73/64/44/390736444.db2.gz ZDRQIXWJJCEUEM-UHFFFAOYSA-N 2 2 292.427 0.789 20 0 CCADLP c1c[nH+]c(N2CC[NH+](CCOC[C@H]3CCCO3)CC2)[nH]1 ZINC000571459993 390736807 /nfs/dbraw/zinc/73/68/07/390736807.db2.gz HZYBOOBANDLGQJ-CYBMUJFWSA-N 2 2 280.372 0.727 20 0 CCADLP c1c[nH+]c(N2CC[NH+](CCOC[C@@H]3CCCO3)CC2)[nH]1 ZINC000571459994 390737035 /nfs/dbraw/zinc/73/70/35/390737035.db2.gz HZYBOOBANDLGQJ-ZDUSSCGKSA-N 2 2 280.372 0.727 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000577961586 390855825 /nfs/dbraw/zinc/85/58/25/390855825.db2.gz XIMFAQWOGBRHOZ-GWCFXTLKSA-N 2 2 268.361 0.017 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000577961586 390855827 /nfs/dbraw/zinc/85/58/27/390855827.db2.gz XIMFAQWOGBRHOZ-GWCFXTLKSA-N 2 2 268.361 0.017 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)N2CCC[C@H](C[NH3+])C2)CCO1 ZINC000578121438 390865353 /nfs/dbraw/zinc/86/53/53/390865353.db2.gz FFILIMMKWNAAJX-CYBMUJFWSA-N 2 2 298.431 0.478 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)N2CCC[C@H](C[NH3+])C2)CCO1 ZINC000578121438 390865354 /nfs/dbraw/zinc/86/53/54/390865354.db2.gz FFILIMMKWNAAJX-CYBMUJFWSA-N 2 2 298.431 0.478 20 0 CCADLP O=C1C[C@H]([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CN1C1CC1 ZINC000578185566 390868768 /nfs/dbraw/zinc/86/87/68/390868768.db2.gz WLFQIIXHVYWOFP-WHOFXGATSA-N 2 2 279.384 0.106 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccncc2)C1 ZINC000578202874 390869899 /nfs/dbraw/zinc/86/98/99/390869899.db2.gz AMAVEFHGFQLHAB-HOTGVXAUSA-N 2 2 293.411 0.810 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccncc2)C1 ZINC000578202874 390869902 /nfs/dbraw/zinc/86/99/02/390869902.db2.gz AMAVEFHGFQLHAB-HOTGVXAUSA-N 2 2 293.411 0.810 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000578202874 390869904 /nfs/dbraw/zinc/86/99/04/390869904.db2.gz AMAVEFHGFQLHAB-HOTGVXAUSA-N 2 2 293.411 0.810 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000578202874 390869905 /nfs/dbraw/zinc/86/99/05/390869905.db2.gz AMAVEFHGFQLHAB-HOTGVXAUSA-N 2 2 293.411 0.810 20 0 CCADLP CC1(CNc2nc[nH+]c(N)c2Cl)CC[NH2+]CC1 ZINC000578227446 390871804 /nfs/dbraw/zinc/87/18/04/390871804.db2.gz JHBLSKRMQRCWBN-UHFFFAOYSA-N 2 2 255.753 0.936 20 0 CCADLP CC1(CNc2[nH+]cnc(N)c2Cl)CC[NH2+]CC1 ZINC000578227446 390871806 /nfs/dbraw/zinc/87/18/06/390871806.db2.gz JHBLSKRMQRCWBN-UHFFFAOYSA-N 2 2 255.753 0.936 20 0 CCADLP [NH3+][C@H](C(=O)NC[C@@H]1C[NH2+]CCCO1)c1c(F)cccc1F ZINC000578236243 390872733 /nfs/dbraw/zinc/87/27/33/390872733.db2.gz FSUZBFAECZFISR-ZANVPECISA-N 2 2 299.321 0.459 20 0 CCADLP C[C@@H]1CN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)[C@@H](C)C[NH2+]1 ZINC000572958213 390812924 /nfs/dbraw/zinc/81/29/24/390812924.db2.gz NQSCCZHWKCWSCC-OUAUKWLOSA-N 2 2 277.372 0.309 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H](C)[N@H+]1C ZINC000647393161 390816222 /nfs/dbraw/zinc/81/62/22/390816222.db2.gz HLHZNRZHNQBKQG-XQQFMLRXSA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H](C)[N@@H+]1C ZINC000647393161 390816224 /nfs/dbraw/zinc/81/62/24/390816224.db2.gz HLHZNRZHNQBKQG-XQQFMLRXSA-N 2 2 276.384 0.997 20 0 CCADLP Cc1ccc(NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])c(C)[nH+]1 ZINC000647494525 390824506 /nfs/dbraw/zinc/82/45/06/390824506.db2.gz ZBKJJNXGYJDFBW-WCBMZHEXSA-N 2 2 278.356 0.879 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1C[N@H+](Cc2ccccc2-n2cncn2)CCO1 ZINC000647507245 390826112 /nfs/dbraw/zinc/82/61/12/390826112.db2.gz MJAQMDXFXWIGMX-DOMZBBRYSA-N 2 2 287.367 0.815 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](Cc2ccccc2-n2cncn2)CCO1 ZINC000647507245 390826116 /nfs/dbraw/zinc/82/61/16/390826116.db2.gz MJAQMDXFXWIGMX-DOMZBBRYSA-N 2 2 287.367 0.815 20 0 CCADLP Nc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cn1 ZINC000647517492 390829670 /nfs/dbraw/zinc/82/96/70/390829670.db2.gz QRTCSYNLOBQVTG-CQSZACIVSA-N 2 2 276.384 0.648 20 0 CCADLP Nc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cn1 ZINC000647517492 390829671 /nfs/dbraw/zinc/82/96/71/390829671.db2.gz QRTCSYNLOBQVTG-CQSZACIVSA-N 2 2 276.384 0.648 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000529453393 390833750 /nfs/dbraw/zinc/83/37/50/390833750.db2.gz BZWHYCBHKVLYBW-BETUJISGSA-N 2 2 278.356 0.171 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000529453393 390833751 /nfs/dbraw/zinc/83/37/51/390833751.db2.gz BZWHYCBHKVLYBW-BETUJISGSA-N 2 2 278.356 0.171 20 0 CCADLP CCOc1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)nc1 ZINC000647541600 390838982 /nfs/dbraw/zinc/83/89/82/390838982.db2.gz CJIKDTYMAOVMRA-HNNXBMFYSA-N 2 2 290.411 0.960 20 0 CCADLP COC[C@H](O)C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000577841920 390847137 /nfs/dbraw/zinc/84/71/37/390847137.db2.gz BMAFNLYWDBZPPH-CQSZACIVSA-N 2 2 261.325 0.969 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000577940399 390853830 /nfs/dbraw/zinc/85/38/30/390853830.db2.gz JQOSCLCQKWNKOL-CABCVRRESA-N 3 2 296.459 0.648 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C[NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000577940399 390853831 /nfs/dbraw/zinc/85/38/31/390853831.db2.gz JQOSCLCQKWNKOL-CABCVRRESA-N 3 2 296.459 0.648 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000578519578 390888937 /nfs/dbraw/zinc/88/89/37/390888937.db2.gz AIHFJVIDTFDJOF-KKUMJFAQSA-N 2 2 285.432 0.094 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000578519578 390888939 /nfs/dbraw/zinc/88/89/39/390888939.db2.gz AIHFJVIDTFDJOF-KKUMJFAQSA-N 2 2 285.432 0.094 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000578519578 390888941 /nfs/dbraw/zinc/88/89/41/390888941.db2.gz AIHFJVIDTFDJOF-KKUMJFAQSA-N 2 2 285.432 0.094 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000578519578 390888944 /nfs/dbraw/zinc/88/89/44/390888944.db2.gz AIHFJVIDTFDJOF-KKUMJFAQSA-N 2 2 285.432 0.094 20 0 CCADLP CC[N@H+](C)C[C@H](O)CN1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000578519578 390888946 /nfs/dbraw/zinc/88/89/46/390888946.db2.gz AIHFJVIDTFDJOF-KKUMJFAQSA-N 2 2 285.432 0.094 20 0 CCADLP CC[N@@H+](C)C[C@H](O)CN1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000578519578 390888949 /nfs/dbraw/zinc/88/89/49/390888949.db2.gz AIHFJVIDTFDJOF-KKUMJFAQSA-N 2 2 285.432 0.094 20 0 CCADLP CN(C)S(=O)(=O)CCC[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000578549518 390892259 /nfs/dbraw/zinc/89/22/59/390892259.db2.gz PVAWHAUKAXJRIT-UHFFFAOYSA-N 2 2 289.445 0.471 20 0 CCADLP CN(C)S(=O)(=O)CCC[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000578549518 390892261 /nfs/dbraw/zinc/89/22/61/390892261.db2.gz PVAWHAUKAXJRIT-UHFFFAOYSA-N 2 2 289.445 0.471 20 0 CCADLP COc1c(O)cccc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358256737 533445294 /nfs/dbraw/zinc/44/52/94/533445294.db2.gz OJNOIBPRMRUYSU-CQSZACIVSA-N 2 2 266.341 0.557 20 0 CCADLP COc1c(O)cccc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358256737 533445297 /nfs/dbraw/zinc/44/52/97/533445297.db2.gz OJNOIBPRMRUYSU-CQSZACIVSA-N 2 2 266.341 0.557 20 0 CCADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1cn[nH]c1 ZINC000453266212 533417587 /nfs/dbraw/zinc/41/75/87/533417587.db2.gz ODAREWGSTQTHND-YPMHNXCESA-N 2 2 252.362 0.907 20 0 CCADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1cn[nH]c1 ZINC000453266212 533417591 /nfs/dbraw/zinc/41/75/91/533417591.db2.gz ODAREWGSTQTHND-YPMHNXCESA-N 2 2 252.362 0.907 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@](C)(O)C1CC1 ZINC000341802540 130040754 /nfs/dbraw/zinc/04/07/54/130040754.db2.gz ADCLUHXYKDXVEB-MRXNPFEDSA-N 2 2 297.443 0.632 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@](C)(O)C1CC1 ZINC000341802540 130040757 /nfs/dbraw/zinc/04/07/57/130040757.db2.gz ADCLUHXYKDXVEB-MRXNPFEDSA-N 2 2 297.443 0.632 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000341808257 130070473 /nfs/dbraw/zinc/07/04/73/130070473.db2.gz OUNFQXBGNUMIBY-UPJWGTAASA-N 2 2 269.389 0.021 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000341808257 130070475 /nfs/dbraw/zinc/07/04/75/130070475.db2.gz OUNFQXBGNUMIBY-UPJWGTAASA-N 2 2 269.389 0.021 20 0 CCADLP [NH3+]C1(C[NH2+]CC(=O)NC(=O)NCc2cccs2)CCC1 ZINC000342130998 130289578 /nfs/dbraw/zinc/28/95/78/130289578.db2.gz OHJCYZQVEMBAJN-UHFFFAOYSA-N 2 2 296.396 0.545 20 0 CCADLP [NH3+]C1(C[NH2+]CC(=O)NCCOc2cccc(F)c2)CCC1 ZINC000342145394 130336054 /nfs/dbraw/zinc/33/60/54/130336054.db2.gz SNTPSUOVXKFQDA-UHFFFAOYSA-N 2 2 295.358 0.792 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000684069714 545608064 /nfs/dbraw/zinc/60/80/64/545608064.db2.gz UEAKVDRQGWLWEK-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC000684069714 545608065 /nfs/dbraw/zinc/60/80/65/545608065.db2.gz UEAKVDRQGWLWEK-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000237300439 131022329 /nfs/dbraw/zinc/02/23/29/131022329.db2.gz OZGGHWGWNNSCES-ZDUSSCGKSA-N 2 2 291.395 0.892 20 0 CCADLP CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H]2C[NH3+])C1 ZINC000250956302 131128064 /nfs/dbraw/zinc/12/80/64/131128064.db2.gz SANPBTZTVPNNSC-RYUDHWBXSA-N 2 2 275.418 0.081 20 0 CCADLP CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H]2C[NH3+])C1 ZINC000250956302 131128065 /nfs/dbraw/zinc/12/80/65/131128065.db2.gz SANPBTZTVPNNSC-RYUDHWBXSA-N 2 2 275.418 0.081 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000251634123 131130081 /nfs/dbraw/zinc/13/00/81/131130081.db2.gz IPUFBFRPNGUYDS-AVGNSLFASA-N 2 2 269.389 0.164 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000251634123 131130085 /nfs/dbraw/zinc/13/00/85/131130085.db2.gz IPUFBFRPNGUYDS-AVGNSLFASA-N 2 2 269.389 0.164 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000252651590 131136221 /nfs/dbraw/zinc/13/62/21/131136221.db2.gz SARHEWVUUZMBOJ-AGIUHOORSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000252651591 131136702 /nfs/dbraw/zinc/13/67/02/131136702.db2.gz SARHEWVUUZMBOJ-FRRDWIJNSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261582513 131153940 /nfs/dbraw/zinc/15/39/40/131153940.db2.gz RHEPOBBODSEKQH-RYUDHWBXSA-N 2 2 250.346 0.920 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261832993 131171860 /nfs/dbraw/zinc/17/18/60/131171860.db2.gz UHCIQBWKWUPDPU-SDDRHHMPSA-N 2 2 250.346 0.905 20 0 CCADLP [NH3+][C@@H](C(=O)NCc1ccn2cc[nH+]c2c1)C1CCOCC1 ZINC000261843644 131172961 /nfs/dbraw/zinc/17/29/61/131172961.db2.gz QTGRLZDSXBLHNS-CQSZACIVSA-N 2 2 288.351 0.704 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)[C@H]3[NH2+]CCO[C@@H]3C)cn2c1 ZINC000262287736 131208083 /nfs/dbraw/zinc/20/80/83/131208083.db2.gz OLCUAIUCOASBPP-RISCZKNCSA-N 2 2 288.351 0.636 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)NCCCNc1cccc[nH+]1 ZINC000262532319 131230163 /nfs/dbraw/zinc/23/01/63/131230163.db2.gz OGPQTHLOOCCSLX-GHMZBOCLSA-N 2 2 250.346 0.983 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)NCCCNc1cccc[nH+]1 ZINC000262812683 131263985 /nfs/dbraw/zinc/26/39/85/131263985.db2.gz GAWJNLINMZYDFW-LLVKDONJSA-N 2 2 266.345 0.364 20 0 CCADLP COC(=O)CCC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000268668460 132045841 /nfs/dbraw/zinc/04/58/41/132045841.db2.gz ZWQGEPSVPKIMQG-UHFFFAOYSA-N 2 2 266.345 0.495 20 0 CCADLP O=C(C[NH2+]CC1CC1)NCc1cn2ccccc2[nH+]1 ZINC000269234609 132138666 /nfs/dbraw/zinc/13/86/66/132138666.db2.gz LOQXAWKKNHUGHY-UHFFFAOYSA-N 2 2 258.325 0.950 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@H]2CCC[NH2+]C2)c[nH+]1 ZINC000269235852 132138834 /nfs/dbraw/zinc/13/88/34/132138834.db2.gz MEEILOBPXUSFBU-LBPRGKRZSA-N 2 2 262.357 0.763 20 0 CCADLP Cc1cn2cc(NC(=O)C[C@@H]3C[NH2+]CCO3)ccc2[nH+]1 ZINC000269239429 132139674 /nfs/dbraw/zinc/13/96/74/132139674.db2.gz IYPBWTCOAGXRMO-GFCCVEGCSA-N 2 2 274.324 0.960 20 0 CCADLP O=C(C[C@@H]1C[NH2+]CCO1)NCc1cn2ccccc2[nH+]1 ZINC000269244190 132140778 /nfs/dbraw/zinc/14/07/78/132140778.db2.gz SSDVVMZNRIRRIM-GFCCVEGCSA-N 2 2 274.324 0.329 20 0 CCADLP CCn1nnc(C)c1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657751392 413057386 /nfs/dbraw/zinc/05/73/86/413057386.db2.gz IDYZTVKGSGWNHH-CQSZACIVSA-N 2 2 293.415 0.949 20 0 CCADLP CCS(=O)(=O)C1(C[NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657758866 413059308 /nfs/dbraw/zinc/05/93/08/413059308.db2.gz NTWFOJWOEGOKIP-UHFFFAOYSA-N 2 2 283.397 0.886 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)CCc2c[nH+]cn2C)n1C ZINC000530282153 285588655 /nfs/dbraw/zinc/58/86/55/285588655.db2.gz AWMIIYBLWAUICK-UHFFFAOYSA-N 2 2 290.371 0.469 20 0 CCADLP CO[C@@]1(C)C[C@H]1[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000658332497 413117031 /nfs/dbraw/zinc/11/70/31/413117031.db2.gz REIDEMXXJMKHET-CVEARBPZSA-N 2 2 297.443 0.550 20 0 CCADLP CO[C@@]1(C)C[C@H]1[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000658332497 413117034 /nfs/dbraw/zinc/11/70/34/413117034.db2.gz REIDEMXXJMKHET-CVEARBPZSA-N 2 2 297.443 0.550 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C)N1CC[NH+](C)CC1 ZINC000356887702 144041467 /nfs/dbraw/zinc/04/14/67/144041467.db2.gz UIXRHZCGHSCENP-MCIONIFRSA-N 2 2 282.432 0.173 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C)N1CC[NH+](C)CC1 ZINC000356887702 144041468 /nfs/dbraw/zinc/04/14/68/144041468.db2.gz UIXRHZCGHSCENP-MCIONIFRSA-N 2 2 282.432 0.173 20 0 CCADLP Cc1ncc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)cn1 ZINC000356899661 144042512 /nfs/dbraw/zinc/04/25/12/144042512.db2.gz WVGJERIQXFCBCQ-AWEZNQCLSA-N 2 2 291.399 0.462 20 0 CCADLP Cc1ncc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)cn1 ZINC000356899661 144042513 /nfs/dbraw/zinc/04/25/13/144042513.db2.gz WVGJERIQXFCBCQ-AWEZNQCLSA-N 2 2 291.399 0.462 20 0 CCADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCC[NH+]1CCOCC1 ZINC000357047594 144053777 /nfs/dbraw/zinc/05/37/77/144053777.db2.gz JYMSBQXXJLPOPC-ZDUSSCGKSA-N 2 2 286.420 0.347 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCC[NH+]1CCOCC1 ZINC000357047594 144053776 /nfs/dbraw/zinc/05/37/76/144053776.db2.gz JYMSBQXXJLPOPC-ZDUSSCGKSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@H]1[C@H](C)[N@H+](C)CCN1CCC[NH+]1CCOCC1 ZINC000357059824 144055036 /nfs/dbraw/zinc/05/50/36/144055036.db2.gz BCDUMESLZSYASG-KBPBESRZSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1CCC[NH+]1CCOCC1 ZINC000357059824 144055037 /nfs/dbraw/zinc/05/50/37/144055037.db2.gz BCDUMESLZSYASG-KBPBESRZSA-N 2 2 255.406 0.733 20 0 CCADLP [NH3+]CCOCCN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000357075860 144056920 /nfs/dbraw/zinc/05/69/20/144056920.db2.gz ORCWBSHWBXOOTF-UHFFFAOYSA-N 2 2 279.384 0.485 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357078983 144057725 /nfs/dbraw/zinc/05/77/25/144057725.db2.gz CESHBPAOKQHBOL-MQYQWHSLSA-N 2 2 281.400 0.211 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357078983 144057727 /nfs/dbraw/zinc/05/77/27/144057727.db2.gz CESHBPAOKQHBOL-MQYQWHSLSA-N 2 2 281.400 0.211 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCCCn1cc[nH+]c1 ZINC000357301511 144079985 /nfs/dbraw/zinc/07/99/85/144079985.db2.gz HYRAWGMYHAGKQW-UHFFFAOYSA-N 2 2 261.329 0.756 20 0 CCADLP Cc1cc(NCCCCN2CC[NH+](CCO)CC2)cc[nH+]1 ZINC000357686953 144112780 /nfs/dbraw/zinc/11/27/80/144112780.db2.gz JPULNESHRMHSPL-UHFFFAOYSA-N 2 2 292.427 0.614 20 0 CCADLP C[C@H](C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)[NH+]1CCOCC1 ZINC000357906482 144131744 /nfs/dbraw/zinc/13/17/44/144131744.db2.gz LJBQPJIHPIZZIO-QWHCGFSZSA-N 2 2 281.400 0.474 20 0 CCADLP C[C@H](C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)[NH+]1CCOCC1 ZINC000357906482 144131745 /nfs/dbraw/zinc/13/17/45/144131745.db2.gz LJBQPJIHPIZZIO-QWHCGFSZSA-N 2 2 281.400 0.474 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000358669834 144170929 /nfs/dbraw/zinc/17/09/29/144170929.db2.gz AUQKRCWQCOLOCQ-MELADBBJSA-N 2 2 283.416 0.506 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000358669834 144170931 /nfs/dbraw/zinc/17/09/31/144170931.db2.gz AUQKRCWQCOLOCQ-MELADBBJSA-N 2 2 283.416 0.506 20 0 CCADLP Cc1nc(NC[C@@H](c2ccco2)[NH+](C)C)nc(N(C)C)[nH+]1 ZINC000359232146 144203920 /nfs/dbraw/zinc/20/39/20/144203920.db2.gz NHYKNOIJVJNCLY-NSHDSACASA-N 2 2 290.371 0.976 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCO[C@@H](C(C)C)C1 ZINC000381116011 397484498 /nfs/dbraw/zinc/48/44/98/397484498.db2.gz DAQPPPKMZUYQRL-HUUCEWRRSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCO[C@@H](C(C)C)C1 ZINC000381116011 397484500 /nfs/dbraw/zinc/48/45/00/397484500.db2.gz DAQPPPKMZUYQRL-HUUCEWRRSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCO[C@@H](C(C)C)C1 ZINC000381116011 397484502 /nfs/dbraw/zinc/48/45/02/397484502.db2.gz DAQPPPKMZUYQRL-HUUCEWRRSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCO[C@@H](C(C)C)C1 ZINC000381116011 397484504 /nfs/dbraw/zinc/48/45/04/397484504.db2.gz DAQPPPKMZUYQRL-HUUCEWRRSA-N 2 2 288.432 0.672 20 0 CCADLP COCc1ccc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])o1 ZINC000382502858 397490937 /nfs/dbraw/zinc/49/09/37/397490937.db2.gz SSWPMUNLLCMGCP-NSHDSACASA-N 2 2 253.346 0.501 20 0 CCADLP COCc1ccc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])o1 ZINC000382502858 397490940 /nfs/dbraw/zinc/49/09/40/397490940.db2.gz SSWPMUNLLCMGCP-NSHDSACASA-N 2 2 253.346 0.501 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000369679937 144276389 /nfs/dbraw/zinc/27/63/89/144276389.db2.gz YMAJBTZOAJLPDU-CYBMUJFWSA-N 2 2 267.373 0.014 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000369679937 144276391 /nfs/dbraw/zinc/27/63/91/144276391.db2.gz YMAJBTZOAJLPDU-CYBMUJFWSA-N 2 2 267.373 0.014 20 0 CCADLP Cn1cnc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000371155635 144319923 /nfs/dbraw/zinc/31/99/23/144319923.db2.gz NPOIMEBBFDTKGS-GFCCVEGCSA-N 2 2 291.399 0.318 20 0 CCADLP Cn1cnc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000371155635 144319925 /nfs/dbraw/zinc/31/99/25/144319925.db2.gz NPOIMEBBFDTKGS-GFCCVEGCSA-N 2 2 291.399 0.318 20 0 CCADLP CC[NH+](CC)CCNC(=O)[C@H]1COCC[N@@H+]1CC ZINC000371343245 144327622 /nfs/dbraw/zinc/32/76/22/144327622.db2.gz BYSXAPWIAXTSSY-GFCCVEGCSA-N 2 2 257.378 0.165 20 0 CCADLP CC[NH+](CC)CCNC(=O)[C@H]1COCC[N@H+]1CC ZINC000371343245 144327626 /nfs/dbraw/zinc/32/76/26/144327626.db2.gz BYSXAPWIAXTSSY-GFCCVEGCSA-N 2 2 257.378 0.165 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)NCCC[NH+]1CCCCC1 ZINC000371424440 144331326 /nfs/dbraw/zinc/33/13/26/144331326.db2.gz HMHRWOVLBDAUKJ-AWEZNQCLSA-N 2 2 283.416 0.699 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)NCCC[NH+]1CCCCC1 ZINC000371424440 144331327 /nfs/dbraw/zinc/33/13/27/144331327.db2.gz HMHRWOVLBDAUKJ-AWEZNQCLSA-N 2 2 283.416 0.699 20 0 CCADLP COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000371535399 144336279 /nfs/dbraw/zinc/33/62/79/144336279.db2.gz RAWIAIKTXILWTG-OLZOCXBDSA-N 2 2 281.356 0.926 20 0 CCADLP COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1CCCn1cc[nH+]c1 ZINC000371535399 144336281 /nfs/dbraw/zinc/33/62/81/144336281.db2.gz RAWIAIKTXILWTG-OLZOCXBDSA-N 2 2 281.356 0.926 20 0 CCADLP [NH3+]Cc1ccc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000372027387 144350498 /nfs/dbraw/zinc/35/04/98/144350498.db2.gz SKDSWMNYLZCJSY-OAHLLOKOSA-N 2 2 289.379 0.692 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000386653934 397502510 /nfs/dbraw/zinc/50/25/10/397502510.db2.gz UCXQTYOYWWAXLM-NSHDSACASA-N 2 2 250.346 0.911 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](CCc2cccnc2)CC1=O ZINC000649685536 397655625 /nfs/dbraw/zinc/65/56/25/397655625.db2.gz CMPVNHZGOZVQMT-UHFFFAOYSA-N 2 2 276.384 0.330 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](CCc2cccnc2)CC1=O ZINC000649685536 397655628 /nfs/dbraw/zinc/65/56/28/397655628.db2.gz CMPVNHZGOZVQMT-UHFFFAOYSA-N 2 2 276.384 0.330 20 0 CCADLP C[N@@H+](Cc1cnccn1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000649412048 397606654 /nfs/dbraw/zinc/60/66/54/397606654.db2.gz FWSSHNBDUWCPQS-HOTGVXAUSA-N 2 2 286.379 0.839 20 0 CCADLP C[N@H+](Cc1cnccn1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000649412048 397606657 /nfs/dbraw/zinc/60/66/57/397606657.db2.gz FWSSHNBDUWCPQS-HOTGVXAUSA-N 2 2 286.379 0.839 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(C)([NH3+])CC2)CC1 ZINC000649416060 397609453 /nfs/dbraw/zinc/60/94/53/397609453.db2.gz KPEBZKKZXDEIIH-UHFFFAOYSA-N 3 2 296.459 0.789 20 0 CCADLP CC[C@@H](C)NC(=O)C[NH+]1CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000649478267 397617742 /nfs/dbraw/zinc/61/77/42/397617742.db2.gz AGHXKMZDLJVWTC-HUUCEWRRSA-N 2 2 296.459 0.613 20 0 CCADLP CC[C@@H](C)NC(=O)C[NH+]1CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000649478267 397617744 /nfs/dbraw/zinc/61/77/44/397617744.db2.gz AGHXKMZDLJVWTC-HUUCEWRRSA-N 2 2 296.459 0.613 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCCC1CC[NH2+]CC1 ZINC000649481490 397619114 /nfs/dbraw/zinc/61/91/14/397619114.db2.gz JTAPOUPVUCPJEF-LBPRGKRZSA-N 2 2 279.388 0.961 20 0 CCADLP Cn1cc(C[NH+]2CCN(C[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000649519913 397627227 /nfs/dbraw/zinc/62/72/27/397627227.db2.gz USAXFZWMEKOTDU-OAHLLOKOSA-N 2 2 277.416 0.632 20 0 CCADLP Cn1cc(C[NH+]2CCN(C[C@H]3CCC[N@H+]3C)CC2)cn1 ZINC000649519913 397627231 /nfs/dbraw/zinc/62/72/31/397627231.db2.gz USAXFZWMEKOTDU-OAHLLOKOSA-N 2 2 277.416 0.632 20 0 CCADLP CC[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC000649757941 397664761 /nfs/dbraw/zinc/66/47/61/397664761.db2.gz BGJLGSKKJSUHCH-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC000649757941 397664764 /nfs/dbraw/zinc/66/47/64/397664764.db2.gz BGJLGSKKJSUHCH-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP CC[C@]1(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CCC[NH2+]1 ZINC000248758855 288428610 /nfs/dbraw/zinc/42/86/10/288428610.db2.gz VQECUENQLVEYEU-KCQAQPDRSA-N 2 2 283.416 0.744 20 0 CCADLP C[NH+](C)[C@H]1CCN(c2nc(N[C@@H]3CCCOC3)cc[nH+]2)C1 ZINC000548027011 285997546 /nfs/dbraw/zinc/99/75/46/285997546.db2.gz LJPOKLCHMPYVKO-OLZOCXBDSA-N 2 2 291.399 0.630 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C2CC[NH+](C3CC3)CC2)CCO1 ZINC000549706221 286096266 /nfs/dbraw/zinc/09/62/66/286096266.db2.gz AOVMOLJVCXUZOE-CYBMUJFWSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2CC[NH+](C3CC3)CC2)CCO1 ZINC000549706221 286096267 /nfs/dbraw/zinc/09/62/67/286096267.db2.gz AOVMOLJVCXUZOE-CYBMUJFWSA-N 2 2 295.427 0.698 20 0 CCADLP Cc1ccc([C@@H]([NH3+])C(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000228092130 292203238 /nfs/dbraw/zinc/20/32/38/292203238.db2.gz XFIUJSSUINZONO-DZGCQCFKSA-N 2 2 291.395 0.832 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000551953228 286139791 /nfs/dbraw/zinc/13/97/91/286139791.db2.gz XAQMSBRAYRLFCQ-OLZOCXBDSA-N 2 2 269.389 0.117 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000551953228 286139793 /nfs/dbraw/zinc/13/97/93/286139793.db2.gz XAQMSBRAYRLFCQ-OLZOCXBDSA-N 2 2 269.389 0.117 20 0 CCADLP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261556035 298130097 /nfs/dbraw/zinc/13/00/97/298130097.db2.gz BVCGZABUXBONIV-IJLUTSLNSA-N 2 2 253.390 0.973 20 0 CCADLP C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261556035 298130099 /nfs/dbraw/zinc/13/00/99/298130099.db2.gz BVCGZABUXBONIV-IJLUTSLNSA-N 2 2 253.390 0.973 20 0 CCADLP CC(C)[NH2+]CC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000659287274 413374733 /nfs/dbraw/zinc/37/47/33/413374733.db2.gz YJSPHAKODFHPNE-ZDUSSCGKSA-N 2 2 271.405 0.457 20 0 CCADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000423481562 286864181 /nfs/dbraw/zinc/86/41/81/286864181.db2.gz WWYOVHABFJROJR-CMPLNLGQSA-N 2 2 285.413 0.983 20 0 CCADLP CC1(C)CCC[NH2+][C@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659358032 413441203 /nfs/dbraw/zinc/44/12/03/413441203.db2.gz OGPDFFRJKUGOTR-KGLIPLIRSA-N 2 2 295.427 0.698 20 0 CCADLP CC[C@@]1(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CCC[NH2+]1 ZINC000214458073 411734597 /nfs/dbraw/zinc/73/45/97/411734597.db2.gz XKJWKTMFSCKWGS-HOCLYGCPSA-N 2 2 295.427 0.842 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CC[C@]2(O)CCOC2)C[N@@H+]1C1CC1 ZINC000404136314 411790801 /nfs/dbraw/zinc/79/08/01/411790801.db2.gz CPSGNDRDKLDFDC-BZPMIXESSA-N 2 2 254.374 0.743 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CC[C@]2(O)CCOC2)C[N@H+]1C1CC1 ZINC000404136314 411790805 /nfs/dbraw/zinc/79/08/05/411790805.db2.gz CPSGNDRDKLDFDC-BZPMIXESSA-N 2 2 254.374 0.743 20 0 CCADLP CCO[C@@H]1C[N@@H+]([C@@H](C)c2cnccn2)C[C@H]1C[NH3+] ZINC000405267340 411798991 /nfs/dbraw/zinc/79/89/91/411798991.db2.gz SJRIKLLQDCORQU-DMDPSCGWSA-N 2 2 250.346 0.833 20 0 CCADLP CCO[C@@H]1C[N@H+]([C@@H](C)c2cnccn2)C[C@H]1C[NH3+] ZINC000405267340 411798995 /nfs/dbraw/zinc/79/89/95/411798995.db2.gz SJRIKLLQDCORQU-DMDPSCGWSA-N 2 2 250.346 0.833 20 0 CCADLP CCCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405222963 411799738 /nfs/dbraw/zinc/79/97/38/411799738.db2.gz RHNPXAUJQPDPEF-MGPQQGTHSA-N 2 2 285.432 0.977 20 0 CCADLP CCCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405222963 411799741 /nfs/dbraw/zinc/79/97/41/411799741.db2.gz RHNPXAUJQPDPEF-MGPQQGTHSA-N 2 2 285.432 0.977 20 0 CCADLP CC(C)(CNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)[NH+]1CCOCC1 ZINC000407307304 411805529 /nfs/dbraw/zinc/80/55/29/411805529.db2.gz MIVUIETVFRWXLU-UONOGXRCSA-N 2 2 295.427 0.744 20 0 CCADLP O[C@@H]1CC[N@@H+](C2CN(c3[nH]c4ccccc4[nH+]3)C2)C1 ZINC000651453104 411876738 /nfs/dbraw/zinc/87/67/38/411876738.db2.gz JWFKUILAPCMNRF-LLVKDONJSA-N 2 2 258.325 0.818 20 0 CCADLP O[C@@H]1CC[N@H+](C2CN(c3[nH]c4ccccc4[nH+]3)C2)C1 ZINC000651453104 411876740 /nfs/dbraw/zinc/87/67/40/411876740.db2.gz JWFKUILAPCMNRF-LLVKDONJSA-N 2 2 258.325 0.818 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652145985 411993461 /nfs/dbraw/zinc/99/34/61/411993461.db2.gz DKQORSLIQZSHNE-GFCCVEGCSA-N 2 2 284.404 0.135 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652145985 411993463 /nfs/dbraw/zinc/99/34/63/411993463.db2.gz DKQORSLIQZSHNE-GFCCVEGCSA-N 2 2 284.404 0.135 20 0 CCADLP O=C(NCCC1CC[NH2+]CC1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000652193271 412000317 /nfs/dbraw/zinc/00/03/17/412000317.db2.gz BWHNFFYZFALUOF-LBPRGKRZSA-N 2 2 291.399 0.956 20 0 CCADLP O=C(NCCC1CC[NH2+]CC1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000652193271 412000321 /nfs/dbraw/zinc/00/03/21/412000321.db2.gz BWHNFFYZFALUOF-LBPRGKRZSA-N 2 2 291.399 0.956 20 0 CCADLP C[C@@H](COCC1CC1)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000652306671 412025134 /nfs/dbraw/zinc/02/51/34/412025134.db2.gz ZQUJOMAXZOQEOK-AAEUAGOBSA-N 2 2 284.404 0.086 20 0 CCADLP C[C@@H](COCC1CC1)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000652306671 412025139 /nfs/dbraw/zinc/02/51/39/412025139.db2.gz ZQUJOMAXZOQEOK-AAEUAGOBSA-N 2 2 284.404 0.086 20 0 CCADLP Cn1nnnc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652363832 412040202 /nfs/dbraw/zinc/04/02/02/412040202.db2.gz PEEOQXPPYYJZDL-UTUOFQBUSA-N 2 2 280.376 0.071 20 0 CCADLP Cn1nnnc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652363832 412040205 /nfs/dbraw/zinc/04/02/05/412040205.db2.gz PEEOQXPPYYJZDL-UTUOFQBUSA-N 2 2 280.376 0.071 20 0 CCADLP CC[NH+]1CCN(CC(=O)NC(C)(C)c2[nH]cc[nH+]2)CC1 ZINC000652411462 412048582 /nfs/dbraw/zinc/04/85/82/412048582.db2.gz PNUDPCOXWNUPTK-UHFFFAOYSA-N 2 2 279.388 0.399 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000652446846 412056210 /nfs/dbraw/zinc/05/62/10/412056210.db2.gz BIWTVRMJVIJMGH-LBPRGKRZSA-N 2 2 276.384 0.972 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000652446846 412056214 /nfs/dbraw/zinc/05/62/14/412056214.db2.gz BIWTVRMJVIJMGH-LBPRGKRZSA-N 2 2 276.384 0.972 20 0 CCADLP Cc1cc(NC(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc[nH+]1 ZINC000284628052 196099396 /nfs/dbraw/zinc/09/93/96/196099396.db2.gz BJOAPMNUIKIMNF-GFCCVEGCSA-N 2 2 278.356 0.920 20 0 CCADLP CC(C)n1cc([C@@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cn1 ZINC000653089953 412214367 /nfs/dbraw/zinc/21/43/67/412214367.db2.gz ZPPYWMNGSOBWRT-YPMHNXCESA-N 2 2 281.404 0.920 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCCOCC1CC1 ZINC000653061719 412205330 /nfs/dbraw/zinc/20/53/30/412205330.db2.gz ZRVWRWHVDSTFLX-GFCCVEGCSA-N 2 2 257.378 0.198 20 0 CCADLP COc1ccc(OCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653061957 412206232 /nfs/dbraw/zinc/20/62/32/412206232.db2.gz GXGPWZVWBVFYRA-AWEZNQCLSA-N 2 2 295.383 0.469 20 0 CCADLP CCOc1cccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000653067098 412206876 /nfs/dbraw/zinc/20/68/76/412206876.db2.gz POGOALSTJXRYCN-AWEZNQCLSA-N 2 2 279.384 0.981 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1COc2ccccc2C1 ZINC000653072864 412209055 /nfs/dbraw/zinc/20/90/55/412209055.db2.gz IOPYGKKLUHBMTF-OLZOCXBDSA-N 2 2 277.368 0.385 20 0 CCADLP CCCNC(=O)[C@H]1CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653082808 412212394 /nfs/dbraw/zinc/21/23/94/412212394.db2.gz FHFNELSQECRCBS-STQMWFEESA-N 2 2 298.431 0.030 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCCC(F)(F)F ZINC000653089138 412214286 /nfs/dbraw/zinc/21/42/86/412214286.db2.gz YJEVUFFGTPQRLA-QMMMGPOBSA-N 2 2 255.284 0.724 20 0 CCADLP C[C@@H](C(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+])[NH+]1CCN(C)CC1 ZINC000653242987 412266415 /nfs/dbraw/zinc/26/64/15/412266415.db2.gz WQIQVOIZTZGXPG-QLFBSQMISA-N 2 2 296.459 0.598 20 0 CCADLP C[C@@H](C(=O)NCCC1CC[NH2+]CC1)[NH+]1CCN(C)CC1 ZINC000653272719 412276153 /nfs/dbraw/zinc/27/61/53/412276153.db2.gz ZRXOFKAOZOBSIV-ZDUSSCGKSA-N 2 2 282.432 0.128 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC(C)(C)OCC1(C)C ZINC000653092130 412215896 /nfs/dbraw/zinc/21/58/96/412215896.db2.gz SIXNTCVGQBKTNL-LLVKDONJSA-N 2 2 271.405 0.681 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC(C1CC1)C1CC1 ZINC000653097792 412216793 /nfs/dbraw/zinc/21/67/93/412216793.db2.gz UQKKRLGQKBARKS-CYBMUJFWSA-N 2 2 253.390 0.818 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CCS1 ZINC000653101703 412218414 /nfs/dbraw/zinc/21/84/14/412218414.db2.gz DINXDOKFCOYJJJ-NWDGAFQWSA-N 2 2 273.446 0.865 20 0 CCADLP Cn1c(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)nc2ccccc21 ZINC000653107014 412219928 /nfs/dbraw/zinc/21/99/28/412219928.db2.gz UTWCYJQNIWXKFA-LLVKDONJSA-N 2 2 289.383 0.469 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000653108182 412222323 /nfs/dbraw/zinc/22/23/23/412222323.db2.gz LVJCVWBTBATPRO-AWEZNQCLSA-N 3 2 282.432 0.352 20 0 CCADLP CC[NH+](CC)CC1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653109714 412222423 /nfs/dbraw/zinc/22/24/23/412222423.db2.gz KITSEWYJABJOIG-OAHLLOKOSA-N 3 2 298.475 0.846 20 0 CCADLP CN(C)c1cccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000653108323 412222515 /nfs/dbraw/zinc/22/25/15/412222515.db2.gz SGYBXKXXHGHCPW-CQSZACIVSA-N 2 2 278.400 0.648 20 0 CCADLP CN1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)c2ccccc21 ZINC000653112225 412224160 /nfs/dbraw/zinc/22/41/60/412224160.db2.gz ROEJEANOCSJYJG-LBPRGKRZSA-N 2 2 276.384 0.748 20 0 CCADLP Cc1[nH+]c2n(c1C)CCN(C(=O)CC(F)(F)C[NH3+])C2 ZINC000653115318 412225614 /nfs/dbraw/zinc/22/56/14/412225614.db2.gz KLZSVCGYSAIDGA-UHFFFAOYSA-N 2 2 272.299 0.826 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CCC[NH2+]CC2)CCO1 ZINC000653114368 412225855 /nfs/dbraw/zinc/22/58/55/412225855.db2.gz FXSYEMJOXXJWGN-OLZOCXBDSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CCC[NH2+]CC2)CCO1 ZINC000653114368 412225859 /nfs/dbraw/zinc/22/58/59/412225859.db2.gz FXSYEMJOXXJWGN-OLZOCXBDSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653116734 412227488 /nfs/dbraw/zinc/22/74/88/412227488.db2.gz QKDYVOWXWYJSKS-MCIONIFRSA-N 3 2 284.448 0.645 20 0 CCADLP Cc1nc(CCNC(=O)[C@H]([NH3+])CC[NH+](C)C)sc1C ZINC000653121516 412229304 /nfs/dbraw/zinc/22/93/04/412229304.db2.gz XPWXYAKQGYMNGN-LLVKDONJSA-N 2 2 284.429 0.698 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000653128650 412234003 /nfs/dbraw/zinc/23/40/03/412234003.db2.gz QSFUUVAPQJVZEC-NEPJUHHUSA-N 2 2 276.384 0.958 20 0 CCADLP CCc1ncc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cn1 ZINC000653149777 412241387 /nfs/dbraw/zinc/24/13/87/412241387.db2.gz FJXYXHRDVBKEQY-JTQLQIEISA-N 2 2 251.334 0.257 20 0 CCADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653149141 412241566 /nfs/dbraw/zinc/24/15/66/412241566.db2.gz XXNRAYDVQYKIKI-JSGCOSHPSA-N 3 2 284.448 0.454 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000653148947 412242037 /nfs/dbraw/zinc/24/20/37/412242037.db2.gz RGCUZWAHUSFWMR-JXQTWKCFSA-N 3 2 284.448 0.502 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000653148718 412242095 /nfs/dbraw/zinc/24/20/95/412242095.db2.gz ITVCWRPSXCJNSG-HZSPNIEDSA-N 2 2 277.368 0.040 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCc1ccccc1O ZINC000653148801 412242542 /nfs/dbraw/zinc/24/25/42/412242542.db2.gz MBSHHBSJFHDYIS-LBPRGKRZSA-N 2 2 265.357 0.330 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1ccc(Cl)cn1 ZINC000653150537 412244066 /nfs/dbraw/zinc/24/40/66/412244066.db2.gz FGXLEYPRZWYSDX-NSHDSACASA-N 2 2 270.764 0.630 20 0 CCADLP Cc1cnc([C@H](C)CNC(=O)[C@H]([NH3+])CC[NH+](C)C)s1 ZINC000653155837 412245098 /nfs/dbraw/zinc/24/50/98/412245098.db2.gz IRWNXWVDVKLYJR-MWLCHTKSSA-N 2 2 284.429 0.950 20 0 CCADLP CN(C(=O)Cc1cn2c([nH+]1)CCCC2)[C@H](C[NH3+])C1CC1 ZINC000653162386 412248865 /nfs/dbraw/zinc/24/88/65/412248865.db2.gz FKODXVRKDAFROA-CYBMUJFWSA-N 2 2 276.384 0.958 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)c1cnn(C)c1 ZINC000653616047 412324147 /nfs/dbraw/zinc/32/41/47/412324147.db2.gz FAUIKNYNGSYKNZ-CYBMUJFWSA-N 2 2 284.404 0.184 20 0 CCADLP Cc1[nH+]c2ccccn2c1CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000653827406 412352347 /nfs/dbraw/zinc/35/23/47/412352347.db2.gz ZKFIDADYPPGPRJ-UONOGXRCSA-N 2 2 286.379 0.894 20 0 CCADLP Cc1[nH+]c2ccccn2c1CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000653827406 412352349 /nfs/dbraw/zinc/35/23/49/412352349.db2.gz ZKFIDADYPPGPRJ-UONOGXRCSA-N 2 2 286.379 0.894 20 0 CCADLP C[N@@H+]1CCCN(CCCNC(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000654783419 412439346 /nfs/dbraw/zinc/43/93/46/412439346.db2.gz CWKOQDQDVQYLCU-UHFFFAOYSA-N 2 2 296.459 0.472 20 0 CCADLP C[N@H+]1CCCN(CCCNC(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000654783419 412439349 /nfs/dbraw/zinc/43/93/49/412439349.db2.gz CWKOQDQDVQYLCU-UHFFFAOYSA-N 2 2 296.459 0.472 20 0 CCADLP CN1CCC[N@H+](CCCNC(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000654783419 412439352 /nfs/dbraw/zinc/43/93/52/412439352.db2.gz CWKOQDQDVQYLCU-UHFFFAOYSA-N 2 2 296.459 0.472 20 0 CCADLP CN1CCC[N@@H+](CCCNC(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000654783419 412439355 /nfs/dbraw/zinc/43/93/55/412439355.db2.gz CWKOQDQDVQYLCU-UHFFFAOYSA-N 2 2 296.459 0.472 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659495677 413547035 /nfs/dbraw/zinc/54/70/35/413547035.db2.gz VJFVMDPSQYHAKB-UHFFFAOYSA-N 2 2 266.345 0.969 20 0 CCADLP C[C@H](NC(=O)NC[C@H]1CCC[NH2+]C1)c1[nH+]ccn1C ZINC000659509005 413571170 /nfs/dbraw/zinc/57/11/70/413571170.db2.gz CVULZXVKALZTAH-QWRGUYRKSA-N 2 2 265.361 0.780 20 0 CCADLP C[C@H](NC(=O)N[C@@H]1CC[NH2+][C@H](C)C1)c1[nH+]ccn1C ZINC000659541327 413628278 /nfs/dbraw/zinc/62/82/78/413628278.db2.gz ICCCZGMEDOQZGH-OUAUKWLOSA-N 2 2 265.361 0.921 20 0 CCADLP [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000659553491 413643389 /nfs/dbraw/zinc/64/33/89/413643389.db2.gz IMLIJBGPLGRDKC-MGPQQGTHSA-N 2 2 296.415 0.230 20 0 CCADLP O=C(NCC1=CC[NH2+]CC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659532832 413614988 /nfs/dbraw/zinc/61/49/88/413614988.db2.gz SJNLXTSKHMMMGO-AWEZNQCLSA-N 2 2 294.399 0.022 20 0 CCADLP O=C(N[C@H]1CCC[NH2+]CC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659535515 413617876 /nfs/dbraw/zinc/61/78/76/413617876.db2.gz JTXCSCYEUHDYFO-KBPBESRZSA-N 2 2 296.415 0.245 20 0 CCADLP [NH3+]C1(CNC(=O)N2CCn3c[nH+]cc3C2)CCCC1 ZINC000659577267 413676600 /nfs/dbraw/zinc/67/66/00/413676600.db2.gz JUDNRLQKKNTDSO-UHFFFAOYSA-N 2 2 263.345 0.680 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659616657 413710513 /nfs/dbraw/zinc/71/05/13/413710513.db2.gz VWTLOJGKYBLCAM-AVERBVTBSA-N 2 2 289.383 0.671 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659616659 413712332 /nfs/dbraw/zinc/71/23/32/413712332.db2.gz VWTLOJGKYBLCAM-MQYJIDSJSA-N 2 2 289.383 0.671 20 0 CCADLP C[C@@H](NC(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1[nH+]ccn1C ZINC000659626926 413725762 /nfs/dbraw/zinc/72/57/62/413725762.db2.gz FDMXVKHHOVBUMI-RISCZKNCSA-N 2 2 277.372 0.876 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)[C@@H](C)N1CCOCC1 ZINC000422743901 298882963 /nfs/dbraw/zinc/88/29/63/298882963.db2.gz SCPJGWCEBKPZBS-LXTVHRRPSA-N 2 2 285.432 0.452 20 0 CCADLP COCCO[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000660140284 414145282 /nfs/dbraw/zinc/14/52/82/414145282.db2.gz NIOABLFSYFZGLQ-GJZGRUSLSA-N 2 2 288.432 0.815 20 0 CCADLP COCCO[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000660140284 414145288 /nfs/dbraw/zinc/14/52/88/414145288.db2.gz NIOABLFSYFZGLQ-GJZGRUSLSA-N 2 2 288.432 0.815 20 0 CCADLP COCCO[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000660140284 414145295 /nfs/dbraw/zinc/14/52/95/414145295.db2.gz NIOABLFSYFZGLQ-GJZGRUSLSA-N 2 2 288.432 0.815 20 0 CCADLP COCCO[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000660140284 414145303 /nfs/dbraw/zinc/14/53/03/414145303.db2.gz NIOABLFSYFZGLQ-GJZGRUSLSA-N 2 2 288.432 0.815 20 0 CCADLP CC(C)[NH2+][C@H]1CCC[N@H+](C[C@]2(O)CCCOC2)C1 ZINC000660068261 414088224 /nfs/dbraw/zinc/08/82/24/414088224.db2.gz BKXJCUJZKSMJNK-UONOGXRCSA-N 2 2 256.390 0.990 20 0 CCADLP CC(C)[NH2+][C@H]1CCC[N@@H+](C[C@]2(O)CCCOC2)C1 ZINC000660068261 414088231 /nfs/dbraw/zinc/08/82/31/414088231.db2.gz BKXJCUJZKSMJNK-UONOGXRCSA-N 2 2 256.390 0.990 20 0 CCADLP C[C@@H]1CC[N@H+](C[C@@H]2CNC(=O)C2)C[C@H]1n1cc[nH+]c1 ZINC000660112664 414119956 /nfs/dbraw/zinc/11/99/56/414119956.db2.gz KOABTGXOIIIFLO-FRRDWIJNSA-N 2 2 262.357 0.902 20 0 CCADLP C[C@@H]1CC[N@@H+](C[C@@H]2CNC(=O)C2)C[C@H]1n1cc[nH+]c1 ZINC000660112664 414119963 /nfs/dbraw/zinc/11/99/63/414119963.db2.gz KOABTGXOIIIFLO-FRRDWIJNSA-N 2 2 262.357 0.902 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@]1(C)C(N)=O ZINC000660277028 414223044 /nfs/dbraw/zinc/22/30/44/414223044.db2.gz UFLONKDJXJGCFJ-TZMCWYRMSA-N 2 2 271.405 0.417 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@]1(C)C(N)=O ZINC000660277028 414223053 /nfs/dbraw/zinc/22/30/53/414223053.db2.gz UFLONKDJXJGCFJ-TZMCWYRMSA-N 2 2 271.405 0.417 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000660277028 414223059 /nfs/dbraw/zinc/22/30/59/414223059.db2.gz UFLONKDJXJGCFJ-TZMCWYRMSA-N 2 2 271.405 0.417 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@]1(C)C(N)=O ZINC000660277028 414223069 /nfs/dbraw/zinc/22/30/69/414223069.db2.gz UFLONKDJXJGCFJ-TZMCWYRMSA-N 2 2 271.405 0.417 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000660279799 414225894 /nfs/dbraw/zinc/22/58/94/414225894.db2.gz FFHZWXVIPNVJEW-ZIAGYGMSSA-N 2 2 298.431 0.223 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000660279799 414225899 /nfs/dbraw/zinc/22/58/99/414225899.db2.gz FFHZWXVIPNVJEW-ZIAGYGMSSA-N 2 2 298.431 0.223 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000660279799 414225907 /nfs/dbraw/zinc/22/59/07/414225907.db2.gz FFHZWXVIPNVJEW-ZIAGYGMSSA-N 2 2 298.431 0.223 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000660279799 414225915 /nfs/dbraw/zinc/22/59/15/414225915.db2.gz FFHZWXVIPNVJEW-ZIAGYGMSSA-N 2 2 298.431 0.223 20 0 CCADLP C[C@H]1C[N@H+](Cc2cn(C)cn2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000660158346 414171099 /nfs/dbraw/zinc/17/10/99/414171099.db2.gz XIYUQWUXDHXYIK-HOCLYGCPSA-N 2 2 291.443 0.878 20 0 CCADLP C[C@H]1C[N@@H+](Cc2cn(C)cn2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000660158346 414171106 /nfs/dbraw/zinc/17/11/06/414171106.db2.gz XIYUQWUXDHXYIK-HOCLYGCPSA-N 2 2 291.443 0.878 20 0 CCADLP C[C@H]1CN(Cc2cn(C)c[nH+]2)CC[N@@H+]1CC(C)(C)O ZINC000660372324 414269115 /nfs/dbraw/zinc/26/91/15/414269115.db2.gz WAGVPFJAAUJQMN-LBPRGKRZSA-N 2 2 266.389 0.697 20 0 CCADLP C[C@H]1CN(Cc2cn(C)c[nH+]2)CC[N@H+]1CC(C)(C)O ZINC000660372324 414269124 /nfs/dbraw/zinc/26/91/24/414269124.db2.gz WAGVPFJAAUJQMN-LBPRGKRZSA-N 2 2 266.389 0.697 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)CN1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000660536207 414382922 /nfs/dbraw/zinc/38/29/22/414382922.db2.gz FHTDDKICHUWELI-PMPSAXMXSA-N 2 2 299.459 0.483 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)CN1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000660536207 414382926 /nfs/dbraw/zinc/38/29/26/414382926.db2.gz FHTDDKICHUWELI-PMPSAXMXSA-N 2 2 299.459 0.483 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000660536207 414382928 /nfs/dbraw/zinc/38/29/28/414382928.db2.gz FHTDDKICHUWELI-PMPSAXMXSA-N 2 2 299.459 0.483 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000660536207 414382932 /nfs/dbraw/zinc/38/29/32/414382932.db2.gz FHTDDKICHUWELI-PMPSAXMXSA-N 2 2 299.459 0.483 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000660536207 414382936 /nfs/dbraw/zinc/38/29/36/414382936.db2.gz FHTDDKICHUWELI-PMPSAXMXSA-N 2 2 299.459 0.483 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000660536207 414382942 /nfs/dbraw/zinc/38/29/42/414382942.db2.gz FHTDDKICHUWELI-PMPSAXMXSA-N 2 2 299.459 0.483 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@](C)(CO)c1cccc(O)c1 ZINC000660561096 414392497 /nfs/dbraw/zinc/39/24/97/414392497.db2.gz QBJCLYRQUCOVRC-CVEARBPZSA-N 2 2 296.411 0.890 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@](C)(CO)c1cccc(O)c1 ZINC000660561096 414392501 /nfs/dbraw/zinc/39/25/01/414392501.db2.gz QBJCLYRQUCOVRC-CVEARBPZSA-N 2 2 296.411 0.890 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000660740668 414469978 /nfs/dbraw/zinc/46/99/78/414469978.db2.gz SOVIYZPLEJSGIW-LBPRGKRZSA-N 2 2 297.403 0.749 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000660740668 414469984 /nfs/dbraw/zinc/46/99/84/414469984.db2.gz SOVIYZPLEJSGIW-LBPRGKRZSA-N 2 2 297.403 0.749 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](CO)Cc1ccccc1 ZINC000661093577 414555474 /nfs/dbraw/zinc/55/54/74/414555474.db2.gz NXMBRIVYKUQLPT-JKSUJKDBSA-N 2 2 280.412 0.834 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](CO)Cc1ccccc1 ZINC000661093577 414555479 /nfs/dbraw/zinc/55/54/79/414555479.db2.gz NXMBRIVYKUQLPT-JKSUJKDBSA-N 2 2 280.412 0.834 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](CO)Cc1ccccc1 ZINC000661093577 414555483 /nfs/dbraw/zinc/55/54/83/414555483.db2.gz NXMBRIVYKUQLPT-JKSUJKDBSA-N 2 2 280.412 0.834 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](CO)Cc1ccccc1 ZINC000661093577 414555485 /nfs/dbraw/zinc/55/54/85/414555485.db2.gz NXMBRIVYKUQLPT-JKSUJKDBSA-N 2 2 280.412 0.834 20 0 CCADLP COc1ccc(C)cc1C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031445 174026015 /nfs/dbraw/zinc/02/60/15/174026015.db2.gz LLXCNMJUDNADFB-UHFFFAOYSA-N 2 2 291.395 0.867 20 0 CCADLP COc1ccc(C)cc1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031445 174026016 /nfs/dbraw/zinc/02/60/16/174026016.db2.gz LLXCNMJUDNADFB-UHFFFAOYSA-N 2 2 291.395 0.867 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)CC1 ZINC000661700749 414665966 /nfs/dbraw/zinc/66/59/66/414665966.db2.gz KKXLALZEENAFKM-SQWLQELKSA-N 2 2 295.427 0.507 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H]3COC[C@@]3(C)C2)CC1 ZINC000661700749 414665968 /nfs/dbraw/zinc/66/59/68/414665968.db2.gz KKXLALZEENAFKM-SQWLQELKSA-N 2 2 295.427 0.507 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000040600450 174350765 /nfs/dbraw/zinc/35/07/65/174350765.db2.gz KGNYCWNQBFWVFM-HZSPNIEDSA-N 2 2 283.416 0.554 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000040600450 174350766 /nfs/dbraw/zinc/35/07/66/174350766.db2.gz KGNYCWNQBFWVFM-HZSPNIEDSA-N 2 2 283.416 0.554 20 0 CCADLP Cn1cc(C[C@H]2CC[N@H+](C[C@H]3C[NH2+]CCO3)C2)cn1 ZINC000662262949 414702772 /nfs/dbraw/zinc/70/27/72/414702772.db2.gz JEDJAENPWBBZBK-TZMCWYRMSA-N 2 2 264.373 0.273 20 0 CCADLP Cn1cc(C[C@H]2CC[N@@H+](C[C@H]3C[NH2+]CCO3)C2)cn1 ZINC000662262949 414702773 /nfs/dbraw/zinc/70/27/73/414702773.db2.gz JEDJAENPWBBZBK-TZMCWYRMSA-N 2 2 264.373 0.273 20 0 CCADLP Cc1nnsc1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000662266678 414702994 /nfs/dbraw/zinc/70/29/94/414702994.db2.gz KXSYSWQGZNHTJY-LLVKDONJSA-N 2 2 295.412 0.243 20 0 CCADLP Cc1nnsc1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000662266678 414702995 /nfs/dbraw/zinc/70/29/95/414702995.db2.gz KXSYSWQGZNHTJY-LLVKDONJSA-N 2 2 295.412 0.243 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662267648 414703024 /nfs/dbraw/zinc/70/30/24/414703024.db2.gz XIMARRJLKRGYOV-XGUBFFRZSA-N 2 2 277.412 0.929 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000662267648 414703025 /nfs/dbraw/zinc/70/30/25/414703025.db2.gz XIMARRJLKRGYOV-XGUBFFRZSA-N 2 2 277.412 0.929 20 0 CCADLP CC(C)(C)n1nnc(CC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)n1 ZINC000662272919 414703755 /nfs/dbraw/zinc/70/37/55/414703755.db2.gz KRYSBKIQKMSVGX-NWDGAFQWSA-N 2 2 278.404 0.654 20 0 CCADLP CC(C)(C)n1nnc(CC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)n1 ZINC000662272919 414703756 /nfs/dbraw/zinc/70/37/56/414703756.db2.gz KRYSBKIQKMSVGX-NWDGAFQWSA-N 2 2 278.404 0.654 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662274868 414704250 /nfs/dbraw/zinc/70/42/50/414704250.db2.gz YBBOJRUECUBOGD-KFWWJZLASA-N 3 2 267.417 0.686 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662274868 414704251 /nfs/dbraw/zinc/70/42/51/414704251.db2.gz YBBOJRUECUBOGD-KFWWJZLASA-N 3 2 267.417 0.686 20 0 CCADLP CN(C)c1noc(C[N@@H+]2CCCC[C@H]2CC[NH3+])n1 ZINC000662274003 414704300 /nfs/dbraw/zinc/70/43/00/414704300.db2.gz RDUBYOCGVNFQLR-JTQLQIEISA-N 2 2 253.350 0.839 20 0 CCADLP CN(C)c1noc(C[N@H+]2CCCC[C@H]2CC[NH3+])n1 ZINC000662274003 414704301 /nfs/dbraw/zinc/70/43/01/414704301.db2.gz RDUBYOCGVNFQLR-JTQLQIEISA-N 2 2 253.350 0.839 20 0 CCADLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2C[C@H]2C[NH2+]CCO2)C1 ZINC000662282564 414705751 /nfs/dbraw/zinc/70/57/51/414705751.db2.gz CHJIHJFECQDLFH-KBXIAJHMSA-N 3 2 283.416 0.336 20 0 CCADLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2C[C@H]2C[NH2+]CCO2)C1 ZINC000662282564 414705752 /nfs/dbraw/zinc/70/57/52/414705752.db2.gz CHJIHJFECQDLFH-KBXIAJHMSA-N 3 2 283.416 0.336 20 0 CCADLP Cc1[nH+]ccn1CCC[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662286442 414706666 /nfs/dbraw/zinc/70/66/66/414706666.db2.gz HRCJNCGGNQYNRD-UHFFFAOYSA-N 3 2 252.362 0.286 20 0 CCADLP CC[C@H](CC(F)F)C[N@H+](CC[NH3+])C[C@H](O)CO ZINC000662286260 414706911 /nfs/dbraw/zinc/70/69/11/414706911.db2.gz PFNLJYVTWIGMPF-ZJUUUORDSA-N 2 2 254.321 0.282 20 0 CCADLP CC[C@H](CC(F)F)C[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000662286260 414706912 /nfs/dbraw/zinc/70/69/12/414706912.db2.gz PFNLJYVTWIGMPF-ZJUUUORDSA-N 2 2 254.321 0.282 20 0 CCADLP [NH3+]CC[N@H+](CCCCC1CCOCC1)C[C@H](O)CO ZINC000662288270 414707231 /nfs/dbraw/zinc/70/72/31/414707231.db2.gz NIKFCLZEZAKIMO-AWEZNQCLSA-N 2 2 274.405 0.197 20 0 CCADLP [NH3+]CC[N@@H+](CCCCC1CCOCC1)C[C@H](O)CO ZINC000662288270 414707232 /nfs/dbraw/zinc/70/72/32/414707232.db2.gz NIKFCLZEZAKIMO-AWEZNQCLSA-N 2 2 274.405 0.197 20 0 CCADLP Cc1cccc(C)c1C[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000662289600 414707244 /nfs/dbraw/zinc/70/72/44/414707244.db2.gz TUDNOKWGSDDUMQ-CYBMUJFWSA-N 2 2 252.358 0.417 20 0 CCADLP Cc1cccc(C)c1C[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000662289600 414707245 /nfs/dbraw/zinc/70/72/45/414707245.db2.gz TUDNOKWGSDDUMQ-CYBMUJFWSA-N 2 2 252.358 0.417 20 0 CCADLP Cn1nnc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)n1 ZINC000662293917 414707581 /nfs/dbraw/zinc/70/75/81/414707581.db2.gz VECPUYBZESFCSS-LBPRGKRZSA-N 2 2 264.377 0.422 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662316597 414708937 /nfs/dbraw/zinc/70/89/37/414708937.db2.gz JTLDESRRISFYET-CHWSQXEVSA-N 2 2 271.405 0.506 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662316597 414708938 /nfs/dbraw/zinc/70/89/38/414708938.db2.gz JTLDESRRISFYET-CHWSQXEVSA-N 2 2 271.405 0.506 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)n1 ZINC000662318171 414709361 /nfs/dbraw/zinc/70/93/61/414709361.db2.gz WZQDGBGSYNGMPC-NXEZZACHSA-N 2 2 266.345 0.732 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@H+]2CC[C@@H]3COC[C@H]3C2)n1 ZINC000662318171 414709362 /nfs/dbraw/zinc/70/93/62/414709362.db2.gz WZQDGBGSYNGMPC-NXEZZACHSA-N 2 2 266.345 0.732 20 0 CCADLP C[NH+](C)CCC[C@H]1C[N@H+](CCc2c[nH]nn2)CCO1 ZINC000662324260 414709678 /nfs/dbraw/zinc/70/96/78/414709678.db2.gz SUECLULVCKLNKI-ZDUSSCGKSA-N 2 2 267.377 0.390 20 0 CCADLP C[NH+](C)CCC[C@H]1C[N@@H+](CCc2c[nH]nn2)CCO1 ZINC000662324260 414709679 /nfs/dbraw/zinc/70/96/79/414709679.db2.gz SUECLULVCKLNKI-ZDUSSCGKSA-N 2 2 267.377 0.390 20 0 CCADLP C[NH+](C)CCC[C@H]1C[N@H+](CCc2cn[nH]n2)CCO1 ZINC000662324260 414709680 /nfs/dbraw/zinc/70/96/80/414709680.db2.gz SUECLULVCKLNKI-ZDUSSCGKSA-N 2 2 267.377 0.390 20 0 CCADLP C[NH+](C)CCC[C@H]1C[N@@H+](CCc2cn[nH]n2)CCO1 ZINC000662324260 414709681 /nfs/dbraw/zinc/70/96/81/414709681.db2.gz SUECLULVCKLNKI-ZDUSSCGKSA-N 2 2 267.377 0.390 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662325986 414710149 /nfs/dbraw/zinc/71/01/49/414710149.db2.gz SAILUZQCWPNUEK-HOTGVXAUSA-N 2 2 299.459 0.750 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662328162 414710768 /nfs/dbraw/zinc/71/07/68/414710768.db2.gz ZKHDJCKEKORVSI-SOUVJXGZSA-N 2 2 266.385 0.867 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662328162 414710769 /nfs/dbraw/zinc/71/07/69/414710769.db2.gz ZKHDJCKEKORVSI-SOUVJXGZSA-N 2 2 266.385 0.867 20 0 CCADLP CN(C)C(=O)N(C)[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000662008708 414686264 /nfs/dbraw/zinc/68/62/64/414686264.db2.gz PWXRYRKPOHWONE-CYBMUJFWSA-N 2 2 279.388 0.650 20 0 CCADLP CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000662008708 414686265 /nfs/dbraw/zinc/68/62/65/414686265.db2.gz PWXRYRKPOHWONE-CYBMUJFWSA-N 2 2 279.388 0.650 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662149991 414693302 /nfs/dbraw/zinc/69/33/02/414693302.db2.gz RLMUHUHCPQSZRB-OAHLLOKOSA-N 3 2 278.400 0.723 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662149991 414693303 /nfs/dbraw/zinc/69/33/03/414693303.db2.gz RLMUHUHCPQSZRB-OAHLLOKOSA-N 3 2 278.400 0.723 20 0 CCADLP CC(C)OC[C@@H](O)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662153945 414694253 /nfs/dbraw/zinc/69/42/53/414694253.db2.gz FEDWZHJSGQIDGP-GJZGRUSLSA-N 2 2 286.416 0.303 20 0 CCADLP CC(C)OC[C@@H](O)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662153945 414694254 /nfs/dbraw/zinc/69/42/54/414694254.db2.gz FEDWZHJSGQIDGP-GJZGRUSLSA-N 2 2 286.416 0.303 20 0 CCADLP CC(C)N1CC[C@@H]([NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1=O ZINC000662154245 414694520 /nfs/dbraw/zinc/69/45/20/414694520.db2.gz GBAXGYMTWUSCQB-LSDHHAIUSA-N 2 2 295.427 0.527 20 0 CCADLP CC(C)N1CC[C@@H]([NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)C1=O ZINC000662154245 414694521 /nfs/dbraw/zinc/69/45/21/414694521.db2.gz GBAXGYMTWUSCQB-LSDHHAIUSA-N 2 2 295.427 0.527 20 0 CCADLP C([NH2+]C1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1)C1CC1 ZINC000662245058 414698886 /nfs/dbraw/zinc/69/88/86/414698886.db2.gz MAQXIBNAWTZQLJ-OAHLLOKOSA-N 3 2 279.428 0.971 20 0 CCADLP Cc1nnc([C@H](C)[N@H+](C)CCN2CC[NH2+]CC2)[nH]1 ZINC000662246773 414699107 /nfs/dbraw/zinc/69/91/07/414699107.db2.gz RNPMMGIMLUFUGM-JTQLQIEISA-N 2 2 252.366 0.011 20 0 CCADLP Cc1nnc([C@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)[nH]1 ZINC000662246773 414699108 /nfs/dbraw/zinc/69/91/08/414699108.db2.gz RNPMMGIMLUFUGM-JTQLQIEISA-N 2 2 252.366 0.011 20 0 CCADLP CCCC(=O)NC1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662252879 414699949 /nfs/dbraw/zinc/69/99/49/414699949.db2.gz QXBMAUJDHIGMQB-ZDUSSCGKSA-N 2 2 269.389 0.356 20 0 CCADLP COCCOC1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662255457 414700500 /nfs/dbraw/zinc/70/05/00/414700500.db2.gz PORKDRXVERZMPN-CYBMUJFWSA-N 2 2 258.362 0.102 20 0 CCADLP C[NH+]1CCN(C(=O)c2cc(C(C)(C)[NH3+])no2)CC1 ZINC000662762820 414770417 /nfs/dbraw/zinc/77/04/17/414770417.db2.gz DPXLOKVQZJYJQU-UHFFFAOYSA-N 2 2 252.318 0.256 20 0 CCADLP [NH3+][C@@H](C(=O)N1CC[NH+](CCO)CC1)c1ccc(F)cc1F ZINC000662780757 414787153 /nfs/dbraw/zinc/78/71/53/414787153.db2.gz ROVFMFSHMFROFB-CYBMUJFWSA-N 2 2 299.321 0.101 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000662356611 414711717 /nfs/dbraw/zinc/71/17/17/414711717.db2.gz PAYCHFIRFQESOF-AWEZNQCLSA-N 2 2 276.384 0.724 20 0 CCADLP CCO[C@H]1C[C@]([NH3+])(C(=O)N(C)Cc2c[nH+]c[nH]2)C1(C)C ZINC000662586581 414730517 /nfs/dbraw/zinc/73/05/17/414730517.db2.gz WKEIFZQAGMUBOD-FZMZJTMJSA-N 2 2 280.372 0.901 20 0 CCADLP CCO[C@H]1C[C@]([NH3+])(C(=O)N(C)Cc2c[nH]c[nH+]2)C1(C)C ZINC000662586581 414730518 /nfs/dbraw/zinc/73/05/18/414730518.db2.gz WKEIFZQAGMUBOD-FZMZJTMJSA-N 2 2 280.372 0.901 20 0 CCADLP CC[C@@H](COCC1CC1)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000662620901 414733847 /nfs/dbraw/zinc/73/38/47/414733847.db2.gz SEVXFQHQGHZORM-STQMWFEESA-N 2 2 271.405 0.587 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CC1CC[NH2+]CC1 ZINC000662629876 414734509 /nfs/dbraw/zinc/73/45/09/414734509.db2.gz AUEHEGBDTJAZQR-UHFFFAOYSA-N 3 2 284.448 0.376 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CC1CC[NH2+]CC1 ZINC000662629876 414734510 /nfs/dbraw/zinc/73/45/10/414734510.db2.gz AUEHEGBDTJAZQR-UHFFFAOYSA-N 3 2 284.448 0.376 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CC23CC[NH2+]CC3)[C@@H](C)CO1 ZINC000662633480 414735489 /nfs/dbraw/zinc/73/54/89/414735489.db2.gz LELWVFBMXUWSEH-MJBXVCDLSA-N 2 2 295.427 0.602 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CC23CC[NH2+]CC3)[C@@H](C)CO1 ZINC000662633480 414735490 /nfs/dbraw/zinc/73/54/90/414735490.db2.gz LELWVFBMXUWSEH-MJBXVCDLSA-N 2 2 295.427 0.602 20 0 CCADLP [NH3+][C@H](C(=O)NCC[NH+]1CCOCC1)c1ccc(F)cc1F ZINC000662658899 414738085 /nfs/dbraw/zinc/73/80/85/414738085.db2.gz LTYJHKMJTXFCMS-ZDUSSCGKSA-N 2 2 299.321 0.413 20 0 CCADLP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000662665445 414738678 /nfs/dbraw/zinc/73/86/78/414738678.db2.gz KLPKRONUDHXLKS-KBPBESRZSA-N 2 2 299.415 0.062 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662668874 414739186 /nfs/dbraw/zinc/73/91/86/414739186.db2.gz RJIRUTRSLCYXHC-DZGCQCFKSA-N 3 2 296.459 0.789 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662668874 414739187 /nfs/dbraw/zinc/73/91/87/414739187.db2.gz RJIRUTRSLCYXHC-DZGCQCFKSA-N 3 2 296.459 0.789 20 0 CCADLP O=C(CC[NH2+]C1CC1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662704450 414744193 /nfs/dbraw/zinc/74/41/93/414744193.db2.gz IIOAXTZOHQPMIS-UHFFFAOYSA-N 2 2 295.427 0.699 20 0 CCADLP CO[C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CCCC1 ZINC000662711489 414744895 /nfs/dbraw/zinc/74/48/95/414744895.db2.gz NKYBBHKIXGZWEW-QWHCGFSZSA-N 2 2 271.405 0.587 20 0 CCADLP C[C@H](CNC(=O)[C@H]1[NH2+]CCC1(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662833580 414827399 /nfs/dbraw/zinc/82/73/99/414827399.db2.gz PGSZWOZHTIIKHL-YIYPIFLZSA-N 2 2 297.443 0.988 20 0 CCADLP C[C@H](CNC(=O)[C@H]1[NH2+]CCC1(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662833580 414827402 /nfs/dbraw/zinc/82/74/02/414827402.db2.gz PGSZWOZHTIIKHL-YIYPIFLZSA-N 2 2 297.443 0.988 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccccc1N ZINC000662857254 414848021 /nfs/dbraw/zinc/84/80/21/414848021.db2.gz JDBCGMSXPCDABJ-UHFFFAOYSA-N 2 2 278.400 0.882 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccccc1N ZINC000662857254 414848027 /nfs/dbraw/zinc/84/80/27/414848027.db2.gz JDBCGMSXPCDABJ-UHFFFAOYSA-N 2 2 278.400 0.882 20 0 CCADLP CC[C@]1(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)CCC[NH2+]1 ZINC000662857992 414848740 /nfs/dbraw/zinc/84/87/40/414848740.db2.gz DGMDHAWJGPNJMF-KCQAQPDRSA-N 2 2 283.416 0.744 20 0 CCADLP CC[C@]1(C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)CCC[NH2+]1 ZINC000662857992 414848747 /nfs/dbraw/zinc/84/87/47/414848747.db2.gz DGMDHAWJGPNJMF-KCQAQPDRSA-N 2 2 283.416 0.744 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000662858151 414849251 /nfs/dbraw/zinc/84/92/51/414849251.db2.gz UZROTEMSFXMVPA-AWEZNQCLSA-N 3 2 284.448 0.376 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000662858151 414849256 /nfs/dbraw/zinc/84/92/56/414849256.db2.gz UZROTEMSFXMVPA-AWEZNQCLSA-N 3 2 284.448 0.376 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000662871296 414856178 /nfs/dbraw/zinc/85/61/78/414856178.db2.gz WFUMUEPWTHJFKF-MGPQQGTHSA-N 2 2 281.400 0.308 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000662900927 414879834 /nfs/dbraw/zinc/87/98/34/414879834.db2.gz USCZDEHBLDZBNI-HBNTYKKESA-N 2 2 266.345 0.457 20 0 CCADLP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000662927408 414899101 /nfs/dbraw/zinc/89/91/01/414899101.db2.gz YPSDVDJQUYULLH-CHWSQXEVSA-N 2 2 270.421 0.112 20 0 CCADLP C[C@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1[nH+]ccn1C ZINC000662933885 414901890 /nfs/dbraw/zinc/90/18/90/414901890.db2.gz KJXFOCFQPIPJCG-DCAQKATOSA-N 2 2 250.346 0.985 20 0 CCADLP C[C@@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1[nH+]ccn1C ZINC000662933869 414903041 /nfs/dbraw/zinc/90/30/41/414903041.db2.gz KJXFOCFQPIPJCG-AXFHLTTASA-N 2 2 250.346 0.985 20 0 CCADLP COCC1(C(=O)N[C@@H](C)c2[nH+]ccn2C)CC[NH2+]CC1 ZINC000662934366 414903134 /nfs/dbraw/zinc/90/31/34/414903134.db2.gz NQQWLJXLCUQBEV-NSHDSACASA-N 2 2 280.372 0.614 20 0 CCADLP C[C@H](NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)c1[nH+]ccn1C ZINC000662934415 414904096 /nfs/dbraw/zinc/90/40/96/414904096.db2.gz NZDPPDIKUAWBSV-UWVGGRQHSA-N 2 2 288.355 0.711 20 0 CCADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1nc2c(s1)C[NH2+]CC2 ZINC000663493664 415075908 /nfs/dbraw/zinc/07/59/08/415075908.db2.gz CQQLOQHYTFPOMV-UWVGGRQHSA-N 3 2 266.414 0.958 20 0 CCADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1nc2c(s1)C[NH2+]CC2 ZINC000663493664 415075913 /nfs/dbraw/zinc/07/59/13/415075913.db2.gz CQQLOQHYTFPOMV-UWVGGRQHSA-N 3 2 266.414 0.958 20 0 CCADLP Cc1[nH+]c2ccccn2c1CN1CCOC2(C[NH2+]C2)C1 ZINC000663512331 415082579 /nfs/dbraw/zinc/08/25/79/415082579.db2.gz IXJFIDMMBHTCMF-UHFFFAOYSA-N 2 2 272.352 0.817 20 0 CCADLP COc1c(N)[nH+]cnc1N1CCC[C@H](CC[NH3+])C1 ZINC000663239475 415024643 /nfs/dbraw/zinc/02/46/43/415024643.db2.gz MPBQBILRSLWOBB-SECBINFHSA-N 2 2 251.334 0.633 20 0 CCADLP COc1c(N)nc[nH+]c1N1CCC[C@H](CC[NH3+])C1 ZINC000663239475 415024648 /nfs/dbraw/zinc/02/46/48/415024648.db2.gz MPBQBILRSLWOBB-SECBINFHSA-N 2 2 251.334 0.633 20 0 CCADLP Cc1cc(CO)cc(N2CCN(c3[nH]cc[nH+]3)CC2)[nH+]1 ZINC000663844622 415149857 /nfs/dbraw/zinc/14/98/57/415149857.db2.gz NVMGBHOSOOLFDX-UHFFFAOYSA-N 2 2 273.340 0.932 20 0 CCADLP Cc1nc(N2CC(C[NH+](C)C)C2)nc(N(C)C)[nH+]1 ZINC000663952163 415182559 /nfs/dbraw/zinc/18/25/59/415182559.db2.gz UYHCLHHMNWVBGM-UHFFFAOYSA-N 2 2 250.350 0.244 20 0 CCADLP Cc1nc(N(C)C)nc(N2CC(C[NH+](C)C)C2)[nH+]1 ZINC000663952163 415182566 /nfs/dbraw/zinc/18/25/66/415182566.db2.gz UYHCLHHMNWVBGM-UHFFFAOYSA-N 2 2 250.350 0.244 20 0 CCADLP C[C@@H](CCNC(=O)NCC[N@@H+]1CCOC[C@@H]1C)[NH+](C)C ZINC000663989581 415196708 /nfs/dbraw/zinc/19/67/08/415196708.db2.gz AFWLNSPSDILPFI-STQMWFEESA-N 2 2 286.420 0.347 20 0 CCADLP C[C@@H](CCNC(=O)NCC[N@H+]1CCOC[C@@H]1C)[NH+](C)C ZINC000663989581 415196717 /nfs/dbraw/zinc/19/67/17/415196717.db2.gz AFWLNSPSDILPFI-STQMWFEESA-N 2 2 286.420 0.347 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC/C=C\CO)C2)CC1 ZINC000664131461 415249605 /nfs/dbraw/zinc/24/96/05/415249605.db2.gz YCCACKRITDTRMD-XQJDBVBESA-N 2 2 296.415 0.003 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC/C=C\CO)C2)CC1 ZINC000664131461 415249610 /nfs/dbraw/zinc/24/96/10/415249610.db2.gz YCCACKRITDTRMD-XQJDBVBESA-N 2 2 296.415 0.003 20 0 CCADLP Cn1ccnc(NCC[N@H+](C)CCC[NH+](C)C)c1=O ZINC000664247590 415299485 /nfs/dbraw/zinc/29/94/85/415299485.db2.gz CKQLRIGHDKNRBM-UHFFFAOYSA-N 2 2 267.377 0.076 20 0 CCADLP Cn1ccnc(NCC[N@@H+](C)CCC[NH+](C)C)c1=O ZINC000664247590 415299494 /nfs/dbraw/zinc/29/94/94/415299494.db2.gz CKQLRIGHDKNRBM-UHFFFAOYSA-N 2 2 267.377 0.076 20 0 CCADLP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1nnnn1-c1ccccc1 ZINC000665238484 415573540 /nfs/dbraw/zinc/57/35/40/415573540.db2.gz ZITHNIUXCCEGIL-AAEUAGOBSA-N 2 2 272.356 0.879 20 0 CCADLP NC(=O)c1csc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])n1 ZINC000665273030 415584589 /nfs/dbraw/zinc/58/45/89/415584589.db2.gz PEPQRVXMYRJPRU-IUCAKERBSA-N 2 2 268.386 0.849 20 0 CCADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000665290634 415586900 /nfs/dbraw/zinc/58/69/00/415586900.db2.gz FXENGTKXHZODPW-UHFFFAOYSA-N 3 2 293.415 0.993 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000353532567 287317065 /nfs/dbraw/zinc/31/70/65/287317065.db2.gz VMAHGUOKOIUAQQ-IHRRRGAJSA-N 2 2 281.400 0.308 20 0 CCADLP O=C(CCCC[NH+]1CCOCC1)N1CC[NH+](C2CC2)CC1 ZINC000171766887 335078399 /nfs/dbraw/zinc/07/83/99/335078399.db2.gz UKBQQTHPJFGRQJ-UHFFFAOYSA-N 2 2 295.427 0.796 20 0 CCADLP Cn1ncc2c1nc[nH+]c2N1CCC[C@@H](CC[NH3+])C1 ZINC000070074030 544448709 /nfs/dbraw/zinc/44/87/09/544448709.db2.gz BUBQWWQZHYEHCG-JTQLQIEISA-N 2 2 260.345 0.929 20 0 CCADLP O=C(C[C@H]1CC[NH2+]C1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000089745035 544516273 /nfs/dbraw/zinc/51/62/73/544516273.db2.gz AZKGFKZZFCOTPY-CQSZACIVSA-N 2 2 288.395 0.725 20 0 CCADLP Cc1nc(N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)nc(N)[nH+]1 ZINC000631232568 419482866 /nfs/dbraw/zinc/48/28/66/419482866.db2.gz GJOFFASYXMWTJJ-SECBINFHSA-N 2 2 280.376 0.044 20 0 CCADLP Cc1nc(N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)nc(N)[nH+]1 ZINC000631232568 419482872 /nfs/dbraw/zinc/48/28/72/419482872.db2.gz GJOFFASYXMWTJJ-SECBINFHSA-N 2 2 280.376 0.044 20 0 CCADLP c1ncc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cn1 ZINC000119507340 544567330 /nfs/dbraw/zinc/56/73/30/544567330.db2.gz VVPWZCYZGSGERS-UHFFFAOYSA-N 2 2 275.400 0.690 20 0 CCADLP Cc1nc(N2CC[NH+](C[C@@H]3CCCO3)CC2)nc(N)[nH+]1 ZINC000631038411 419475330 /nfs/dbraw/zinc/47/53/30/419475330.db2.gz VPRKPGXEJHCBIU-NSHDSACASA-N 2 2 278.360 0.063 20 0 CCADLP C[C@H](CO)[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000120514954 544573365 /nfs/dbraw/zinc/57/33/65/544573365.db2.gz WBXKJPVEMFDBJT-UKRRQHHQSA-N 2 2 266.385 0.792 20 0 CCADLP C[C@H](CO)[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000120514954 544573367 /nfs/dbraw/zinc/57/33/67/544573367.db2.gz WBXKJPVEMFDBJT-UKRRQHHQSA-N 2 2 266.385 0.792 20 0 CCADLP C[C@H](CO)[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000120514954 544573371 /nfs/dbraw/zinc/57/33/71/544573371.db2.gz WBXKJPVEMFDBJT-UKRRQHHQSA-N 2 2 266.385 0.792 20 0 CCADLP C[C@H](CO)[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000120514954 544573374 /nfs/dbraw/zinc/57/33/74/544573374.db2.gz WBXKJPVEMFDBJT-UKRRQHHQSA-N 2 2 266.385 0.792 20 0 CCADLP CCS(=O)(=O)NCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000125243734 544590364 /nfs/dbraw/zinc/59/03/64/544590364.db2.gz OVJUNQFAHLRLFT-UHFFFAOYSA-N 2 2 298.412 0.143 20 0 CCADLP C[N@@H+]1CCN(C(=O)c2cccc3c2CCCN3)[C@H](C[NH3+])C1 ZINC000127680480 544606785 /nfs/dbraw/zinc/60/67/85/544606785.db2.gz RTOXGZKKTCPIKV-GFCCVEGCSA-N 2 2 288.395 0.760 20 0 CCADLP C[N@H+]1CCN(C(=O)c2cccc3c2CCCN3)[C@H](C[NH3+])C1 ZINC000127680480 544606789 /nfs/dbraw/zinc/60/67/89/544606789.db2.gz RTOXGZKKTCPIKV-GFCCVEGCSA-N 2 2 288.395 0.760 20 0 CCADLP C[C@H](NC(=O)N1CC[NH+](C2CC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000152542639 544660491 /nfs/dbraw/zinc/66/04/91/544660491.db2.gz BELTZCWIMDABST-JSGCOSHPSA-N 2 2 296.415 0.195 20 0 CCADLP C[C@H](NC(=O)N1CC[NH+](C2CC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000152542639 544660494 /nfs/dbraw/zinc/66/04/94/544660494.db2.gz BELTZCWIMDABST-JSGCOSHPSA-N 2 2 296.415 0.195 20 0 CCADLP C[N@@H+]1CCO[C@H](CNc2nc(N3CCOCC3)cc[nH+]2)C1 ZINC000153371274 544662960 /nfs/dbraw/zinc/66/29/60/544662960.db2.gz AJWYHYTWBCHVDK-GFCCVEGCSA-N 2 2 293.371 0.056 20 0 CCADLP C[N@H+]1CCO[C@H](CNc2nc(N3CCOCC3)cc[nH+]2)C1 ZINC000153371274 544662964 /nfs/dbraw/zinc/66/29/64/544662964.db2.gz AJWYHYTWBCHVDK-GFCCVEGCSA-N 2 2 293.371 0.056 20 0 CCADLP C[N@@H+]1CCC[C@H]([NH2+]C2CCN(S(C)(=O)=O)CC2)C1 ZINC000155852118 544677215 /nfs/dbraw/zinc/67/72/15/544677215.db2.gz BGSHRRZQLKUSSB-LBPRGKRZSA-N 2 2 275.418 0.094 20 0 CCADLP C[N@H+]1CCC[C@H]([NH2+]C2CCN(S(C)(=O)=O)CC2)C1 ZINC000155852118 544677216 /nfs/dbraw/zinc/67/72/16/544677216.db2.gz BGSHRRZQLKUSSB-LBPRGKRZSA-N 2 2 275.418 0.094 20 0 CCADLP C[N@@H+]1CCN(C(=O)c2cccc(-n3cccn3)c2)[C@@H](C[NH3+])C1 ZINC000162310548 544712420 /nfs/dbraw/zinc/71/24/20/544712420.db2.gz KOBUYWSBVALKEE-HNNXBMFYSA-N 2 2 299.378 0.587 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)C1([NH3+])CCCC1 ZINC000178763242 544747889 /nfs/dbraw/zinc/74/78/89/544747889.db2.gz DDPTUJYHSBUGLY-UHFFFAOYSA-N 2 2 269.389 0.485 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)C1([NH3+])CCCC1 ZINC000178763242 544747898 /nfs/dbraw/zinc/74/78/98/544747898.db2.gz DDPTUJYHSBUGLY-UHFFFAOYSA-N 2 2 269.389 0.485 20 0 CCADLP COc1cc[nH+]c(Cn2cc(CC[NH3+])nn2)c1OC ZINC000232198839 544863208 /nfs/dbraw/zinc/86/32/08/544863208.db2.gz AQFJRXLHRPUOSN-UHFFFAOYSA-N 2 2 263.301 0.240 20 0 CCADLP CCCNC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250554453 544923135 /nfs/dbraw/zinc/92/31/35/544923135.db2.gz UMBWCLPQFJVARX-QWHCGFSZSA-N 2 2 253.390 0.977 20 0 CCADLP CCCNC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250554453 544923138 /nfs/dbraw/zinc/92/31/38/544923138.db2.gz UMBWCLPQFJVARX-QWHCGFSZSA-N 2 2 253.390 0.977 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000291213948 544971815 /nfs/dbraw/zinc/97/18/15/544971815.db2.gz VLPQGTJLXMFHNW-UHFFFAOYSA-N 2 2 295.387 0.330 20 0 CCADLP CN(C(=O)CCc1c[nH+]c[nH]1)[C@H]1C[NH+]2CCC1CC2 ZINC000330011542 545028280 /nfs/dbraw/zinc/02/82/80/545028280.db2.gz JBZZVUQACIPDQE-ZDUSSCGKSA-N 2 2 262.357 0.895 20 0 CCADLP CN(C(=O)CCc1c[nH]c[nH+]1)[C@H]1C[NH+]2CCC1CC2 ZINC000330011542 545028282 /nfs/dbraw/zinc/02/82/82/545028282.db2.gz JBZZVUQACIPDQE-ZDUSSCGKSA-N 2 2 262.357 0.895 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCC1CC[NH2+]CC1 ZINC000516634194 269770107 /nfs/dbraw/zinc/77/01/07/269770107.db2.gz FUSJCSWGXLALSZ-GFCCVEGCSA-N 2 2 284.404 0.006 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCC1CC[NH2+]CC1 ZINC000516634194 269770108 /nfs/dbraw/zinc/77/01/08/269770108.db2.gz FUSJCSWGXLALSZ-GFCCVEGCSA-N 2 2 284.404 0.006 20 0 CCADLP C[N@@H+]1CCc2ncnc(NCC[C@H]3CCC[NH2+]3)c2C1 ZINC000519122883 265326947 /nfs/dbraw/zinc/32/69/47/265326947.db2.gz FGDPJNGLVGBGLP-LLVKDONJSA-N 2 2 261.373 0.440 20 0 CCADLP C[N@H+]1CCc2ncnc(NCC[C@H]3CCC[NH2+]3)c2C1 ZINC000519122883 265326948 /nfs/dbraw/zinc/32/69/48/265326948.db2.gz FGDPJNGLVGBGLP-LLVKDONJSA-N 2 2 261.373 0.440 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CCOC[C@H]2OC)C1 ZINC000449461104 276251934 /nfs/dbraw/zinc/25/19/34/276251934.db2.gz SITXKMPSRNIIPE-REWJHTLYSA-N 2 2 256.390 0.968 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CCOC[C@H]2OC)C1 ZINC000449461104 276251935 /nfs/dbraw/zinc/25/19/35/276251935.db2.gz SITXKMPSRNIIPE-REWJHTLYSA-N 2 2 256.390 0.968 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000430419089 276388865 /nfs/dbraw/zinc/38/88/65/276388865.db2.gz AGKMUGPKPGEYIH-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000430419089 276388868 /nfs/dbraw/zinc/38/88/68/276388868.db2.gz AGKMUGPKPGEYIH-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CCCCO3)C2)CC1 ZINC000372092843 277028597 /nfs/dbraw/zinc/02/85/97/277028597.db2.gz YLHYCEPGBGAHTH-DZGCQCFKSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CCCCO3)C2)CC1 ZINC000372092843 277028598 /nfs/dbraw/zinc/02/85/98/277028598.db2.gz YLHYCEPGBGAHTH-DZGCQCFKSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000418380411 277030793 /nfs/dbraw/zinc/03/07/93/277030793.db2.gz HKQHWFNSRBEAPC-MJBXVCDLSA-N 2 2 298.431 0.347 20 0 CCADLP COC(=O)CN1CCC([NH2+][C@H](C)C[NH+](C)C)CC1 ZINC000349014209 277061402 /nfs/dbraw/zinc/06/14/02/277061402.db2.gz WALXIDAFBVWTIH-LLVKDONJSA-N 2 2 257.378 0.164 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000336794933 277077894 /nfs/dbraw/zinc/07/78/94/277077894.db2.gz GSYCLIOEOYHFQI-STQMWFEESA-N 2 2 274.430 0.980 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000336794933 277077891 /nfs/dbraw/zinc/07/78/91/277077891.db2.gz GSYCLIOEOYHFQI-STQMWFEESA-N 2 2 274.430 0.980 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000336794933 277077892 /nfs/dbraw/zinc/07/78/92/277077892.db2.gz GSYCLIOEOYHFQI-STQMWFEESA-N 2 2 274.430 0.980 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000336794933 277077893 /nfs/dbraw/zinc/07/78/93/277077893.db2.gz GSYCLIOEOYHFQI-STQMWFEESA-N 2 2 274.430 0.980 20 0 CCADLP C[NH+]1CCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000019438439 277096134 /nfs/dbraw/zinc/09/61/34/277096134.db2.gz NNYDEHRXMWPPEF-CQSZACIVSA-N 2 2 259.353 0.475 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000227342303 277278571 /nfs/dbraw/zinc/27/85/71/277278571.db2.gz HHKANGIMXFKWDZ-KGLIPLIRSA-N 2 2 277.368 0.475 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000227342303 277278572 /nfs/dbraw/zinc/27/85/72/277278572.db2.gz HHKANGIMXFKWDZ-KGLIPLIRSA-N 2 2 277.368 0.475 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C[C@H]1[NH+]1CCOCC1 ZINC000342774922 288002811 /nfs/dbraw/zinc/00/28/11/288002811.db2.gz DXQPWNUKYPCBOO-APIJFGDWSA-N 2 2 295.427 0.363 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C[C@H]1[NH+]1CCOCC1 ZINC000342774922 288002814 /nfs/dbraw/zinc/00/28/14/288002814.db2.gz DXQPWNUKYPCBOO-APIJFGDWSA-N 2 2 295.427 0.363 20 0 CCADLP C[C@@H]1OCC[C@@]12C[N@H+](C[C@H](O)C[NH+](C)C1CC1)C[C@@H](C)O2 ZINC000352369517 278060209 /nfs/dbraw/zinc/06/02/09/278060209.db2.gz QPTSUHLTIZNAJJ-OCVGTWLNSA-N 2 2 298.427 0.710 20 0 CCADLP C[C@@H]1OCC[C@@]12C[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C[C@@H](C)O2 ZINC000352369517 278060211 /nfs/dbraw/zinc/06/02/11/278060211.db2.gz QPTSUHLTIZNAJJ-OCVGTWLNSA-N 2 2 298.427 0.710 20 0 CCADLP C[C@@H]1OCC[C@@]12C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C[C@@H](C)O2 ZINC000352369517 278060212 /nfs/dbraw/zinc/06/02/12/278060212.db2.gz QPTSUHLTIZNAJJ-OCVGTWLNSA-N 2 2 298.427 0.710 20 0 CCADLP C[C@@H]1OCC[C@@]12C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C[C@@H](C)O2 ZINC000352369517 278060214 /nfs/dbraw/zinc/06/02/14/278060214.db2.gz QPTSUHLTIZNAJJ-OCVGTWLNSA-N 2 2 298.427 0.710 20 0 CCADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000333796254 278092177 /nfs/dbraw/zinc/09/21/77/278092177.db2.gz NHOHNZGWKJSDSK-AXFHLTTASA-N 2 2 277.372 0.659 20 0 CCADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000333796254 278092178 /nfs/dbraw/zinc/09/21/78/278092178.db2.gz NHOHNZGWKJSDSK-AXFHLTTASA-N 2 2 277.372 0.659 20 0 CCADLP C[C@H](CC(=O)N(C)C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427861688 278162128 /nfs/dbraw/zinc/16/21/28/278162128.db2.gz UALZNLFSBYUYOV-MNOVXSKESA-N 2 2 250.346 0.654 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N(C)c2nccs2)C1 ZINC000351857632 278228669 /nfs/dbraw/zinc/22/86/69/278228669.db2.gz YAMXYEGGIVEJFK-VHSXEESVSA-N 2 2 268.386 0.775 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N(C)c2nccs2)C1 ZINC000351857632 278228670 /nfs/dbraw/zinc/22/86/70/278228670.db2.gz YAMXYEGGIVEJFK-VHSXEESVSA-N 2 2 268.386 0.775 20 0 CCADLP CC(C)(C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000366754786 278265914 /nfs/dbraw/zinc/26/59/14/278265914.db2.gz QWCJZQLVJHWIJV-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC(=O)NC(N)=O)C1 ZINC000364067208 278333766 /nfs/dbraw/zinc/33/37/66/278333766.db2.gz TXWBWNJOBGTGJF-STQMWFEESA-N 2 2 296.415 0.768 20 0 CCADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC(=O)NC(N)=O)C1 ZINC000364067208 278333767 /nfs/dbraw/zinc/33/37/67/278333767.db2.gz TXWBWNJOBGTGJF-STQMWFEESA-N 2 2 296.415 0.768 20 0 CCADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC000364067208 278333770 /nfs/dbraw/zinc/33/37/70/278333770.db2.gz TXWBWNJOBGTGJF-STQMWFEESA-N 2 2 296.415 0.768 20 0 CCADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000364067208 278333771 /nfs/dbraw/zinc/33/37/71/278333771.db2.gz TXWBWNJOBGTGJF-STQMWFEESA-N 2 2 296.415 0.768 20 0 CCADLP CC1(C)C[C@@H]([NH2+]C[C@H]2CCCC[N@@H+]2CCO)CO1 ZINC000418061794 278369229 /nfs/dbraw/zinc/36/92/29/278369229.db2.gz AXXOOLZUISPHHI-CHWSQXEVSA-N 2 2 256.390 0.990 20 0 CCADLP CC1(C)C[C@@H]([NH2+]C[C@H]2CCCC[N@H+]2CCO)CO1 ZINC000418061794 278369231 /nfs/dbraw/zinc/36/92/31/278369231.db2.gz AXXOOLZUISPHHI-CHWSQXEVSA-N 2 2 256.390 0.990 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@@]1([NH+](C)C)CCSC1 ZINC000344760967 288097919 /nfs/dbraw/zinc/09/79/19/288097919.db2.gz BWVWTGPSOKVSSV-UPJWGTAASA-N 2 2 257.447 0.963 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@@]1([NH+](C)C)CCSC1 ZINC000344760967 288097923 /nfs/dbraw/zinc/09/79/23/288097923.db2.gz BWVWTGPSOKVSSV-UPJWGTAASA-N 2 2 257.447 0.963 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCN1CCOC(C)(C)C1 ZINC000344192722 288097977 /nfs/dbraw/zinc/09/79/77/288097977.db2.gz XLYLXLSSXFSYAK-CHWSQXEVSA-N 2 2 255.406 0.637 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCN1CCOC(C)(C)C1 ZINC000344192722 288097981 /nfs/dbraw/zinc/09/79/81/288097981.db2.gz XLYLXLSSXFSYAK-CHWSQXEVSA-N 2 2 255.406 0.637 20 0 CCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)C1 ZINC000359451119 279035877 /nfs/dbraw/zinc/03/58/77/279035877.db2.gz XLQCIQQBLFLOFD-GJZGRUSLSA-N 2 2 296.459 0.423 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)C1 ZINC000359451119 279035878 /nfs/dbraw/zinc/03/58/78/279035878.db2.gz XLQCIQQBLFLOFD-GJZGRUSLSA-N 2 2 296.459 0.423 20 0 CCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C)C2 ZINC000335861286 279160590 /nfs/dbraw/zinc/16/05/90/279160590.db2.gz AKBQAADKVYTNBB-WCQYABFASA-N 2 2 276.384 0.916 20 0 CCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1C)C2 ZINC000335861286 279160592 /nfs/dbraw/zinc/16/05/92/279160592.db2.gz AKBQAADKVYTNBB-WCQYABFASA-N 2 2 276.384 0.916 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)CC1 ZINC000442761898 279346488 /nfs/dbraw/zinc/34/64/88/279346488.db2.gz ZAUVREAGLBXOCS-IHRRRGAJSA-N 3 2 282.432 0.208 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)CC1 ZINC000442761898 279346490 /nfs/dbraw/zinc/34/64/90/279346490.db2.gz ZAUVREAGLBXOCS-IHRRRGAJSA-N 3 2 282.432 0.208 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)C(=O)OC)C2)CC1 ZINC000107368897 279373000 /nfs/dbraw/zinc/37/30/00/279373000.db2.gz UOCKQCTWBLKXGT-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)C(=O)OC)C2)CC1 ZINC000107368897 279373001 /nfs/dbraw/zinc/37/30/01/279373001.db2.gz UOCKQCTWBLKXGT-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CN(C)C(=O)c1ccc(C[N@H+](C)C2CC[NH2+]CC2)[nH]1 ZINC000347111412 289029292 /nfs/dbraw/zinc/02/92/92/289029292.db2.gz QEWNVBNPVCNLQA-UHFFFAOYSA-N 2 2 264.373 0.900 20 0 CCADLP CN(C)C(=O)c1ccc(C[N@@H+](C)C2CC[NH2+]CC2)[nH]1 ZINC000347111412 289029295 /nfs/dbraw/zinc/02/92/95/289029295.db2.gz QEWNVBNPVCNLQA-UHFFFAOYSA-N 2 2 264.373 0.900 20 0 CCADLP CN(C)S(=O)(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000375577039 289243818 /nfs/dbraw/zinc/24/38/18/289243818.db2.gz IKXAGTZMLCZUMS-CHWSQXEVSA-N 2 2 289.445 0.294 20 0 CCADLP CN(C)S(=O)(=O)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000375577039 289243820 /nfs/dbraw/zinc/24/38/20/289243820.db2.gz IKXAGTZMLCZUMS-CHWSQXEVSA-N 2 2 289.445 0.294 20 0 CCADLP CN(C)S(=O)(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000375577039 289243824 /nfs/dbraw/zinc/24/38/24/289243824.db2.gz IKXAGTZMLCZUMS-CHWSQXEVSA-N 2 2 289.445 0.294 20 0 CCADLP CN(C)S(=O)(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000375577039 289243827 /nfs/dbraw/zinc/24/38/27/289243827.db2.gz IKXAGTZMLCZUMS-CHWSQXEVSA-N 2 2 289.445 0.294 20 0 CCADLP CN(C)[C@@H](C(=O)N(C)C1CC[NH+](C)CC1)c1c[nH+]cn1C ZINC000348337650 289269513 /nfs/dbraw/zinc/26/95/13/289269513.db2.gz HZYHLVHYSNTPDG-CQSZACIVSA-N 2 2 293.415 0.575 20 0 CCADLP C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229086453 289349478 /nfs/dbraw/zinc/34/94/78/289349478.db2.gz VKSWRYLMJLJPNZ-BBBLOLIVSA-N 2 2 281.322 0.970 20 0 CCADLP C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229086453 289349479 /nfs/dbraw/zinc/34/94/79/289349479.db2.gz VKSWRYLMJLJPNZ-BBBLOLIVSA-N 2 2 281.322 0.970 20 0 CCADLP C[C@H](C[NH2+][C@H](C)Cn1cccn1)C[NH+]1CCOCC1 ZINC000122740749 289695808 /nfs/dbraw/zinc/69/58/08/289695808.db2.gz LTGRTIRACVRVIJ-ZIAGYGMSSA-N 2 2 266.389 0.830 20 0 CCADLP C[N@@H+]1CCN(C(=O)C[NH+]2CC(C)(C)C2)C(C)(C)C1 ZINC000517040879 290011291 /nfs/dbraw/zinc/01/12/91/290011291.db2.gz XBIYPXUZMNFZKJ-UHFFFAOYSA-N 2 2 253.390 0.881 20 0 CCADLP C[N@H+]1CCN(C(=O)C[NH+]2CC(C)(C)C2)C(C)(C)C1 ZINC000517040879 290011293 /nfs/dbraw/zinc/01/12/93/290011293.db2.gz XBIYPXUZMNFZKJ-UHFFFAOYSA-N 2 2 253.390 0.881 20 0 CCADLP C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000246949922 290101496 /nfs/dbraw/zinc/10/14/96/290101496.db2.gz XBLOFICSBSIHPP-MJBXVCDLSA-N 2 2 281.400 0.260 20 0 CCADLP C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000246949922 290101500 /nfs/dbraw/zinc/10/15/00/290101500.db2.gz XBLOFICSBSIHPP-MJBXVCDLSA-N 2 2 281.400 0.260 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000246949922 290101503 /nfs/dbraw/zinc/10/15/03/290101503.db2.gz XBLOFICSBSIHPP-MJBXVCDLSA-N 2 2 281.400 0.260 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000246949922 290101505 /nfs/dbraw/zinc/10/15/05/290101505.db2.gz XBLOFICSBSIHPP-MJBXVCDLSA-N 2 2 281.400 0.260 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]CCN2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000420397885 290217961 /nfs/dbraw/zinc/21/79/61/290217961.db2.gz GOAQWBUWMKNZHD-IRXDYDNUSA-N 3 2 288.439 0.927 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]CCN2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000420397885 290217963 /nfs/dbraw/zinc/21/79/63/290217963.db2.gz GOAQWBUWMKNZHD-IRXDYDNUSA-N 3 2 288.439 0.927 20 0 CCADLP Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449397223 293100056 /nfs/dbraw/zinc/10/00/56/293100056.db2.gz UQALXTXWLPGUQO-ZDUSSCGKSA-N 2 2 266.389 0.963 20 0 CCADLP Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449397223 293100060 /nfs/dbraw/zinc/10/00/60/293100060.db2.gz UQALXTXWLPGUQO-ZDUSSCGKSA-N 2 2 266.389 0.963 20 0 CCADLP C[C@@H]1C[N@H+](Cc2cnn(C)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374326504 297034852 /nfs/dbraw/zinc/03/48/52/297034852.db2.gz SQCUFOGLVMQJCT-GDBMZVCRSA-N 2 2 291.443 0.878 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2cnn(C)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374326504 297034854 /nfs/dbraw/zinc/03/48/54/297034854.db2.gz SQCUFOGLVMQJCT-GDBMZVCRSA-N 2 2 291.443 0.878 20 0 CCADLP [NH3+]CCN1CC[NH+]([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000262934918 295233257 /nfs/dbraw/zinc/23/32/57/295233257.db2.gz IGCVKFAHWLHRRF-OAHLLOKOSA-N 2 2 288.395 0.368 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCOC(C)(C)C1 ZINC000388996910 545086436 /nfs/dbraw/zinc/08/64/36/545086436.db2.gz DKZRCCQFHTWZGK-CYBMUJFWSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCOC(C)(C)C1 ZINC000388996910 545086437 /nfs/dbraw/zinc/08/64/37/545086437.db2.gz DKZRCCQFHTWZGK-CYBMUJFWSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCOC(C)(C)C1 ZINC000388996910 545086438 /nfs/dbraw/zinc/08/64/38/545086438.db2.gz DKZRCCQFHTWZGK-CYBMUJFWSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCOC(C)(C)C1 ZINC000388996910 545086439 /nfs/dbraw/zinc/08/64/39/545086439.db2.gz DKZRCCQFHTWZGK-CYBMUJFWSA-N 2 2 274.405 0.426 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccccn1 ZINC000516292951 298048203 /nfs/dbraw/zinc/04/82/03/298048203.db2.gz OMGITXVQBNJZBY-NWDGAFQWSA-N 2 2 262.357 0.286 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccccn1 ZINC000516292951 298048205 /nfs/dbraw/zinc/04/82/05/298048205.db2.gz OMGITXVQBNJZBY-NWDGAFQWSA-N 2 2 262.357 0.286 20 0 CCADLP C[C@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261656216 298144330 /nfs/dbraw/zinc/14/43/30/298144330.db2.gz YTFPYZXCZJQKNQ-AGIUHOORSA-N 2 2 265.401 0.975 20 0 CCADLP C[C@H](C(=O)NC1CCCC1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261656216 298144333 /nfs/dbraw/zinc/14/43/33/298144333.db2.gz YTFPYZXCZJQKNQ-AGIUHOORSA-N 2 2 265.401 0.975 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000358389258 300226075 /nfs/dbraw/zinc/22/60/75/300226075.db2.gz CWCUSDWWLMFZQG-GXTWGEPZSA-N 2 2 282.432 0.079 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000358389258 300226079 /nfs/dbraw/zinc/22/60/79/300226079.db2.gz CWCUSDWWLMFZQG-GXTWGEPZSA-N 2 2 282.432 0.079 20 0 CCADLP C[C@H]1C[NH+](CCOCC[N@@H+]2CCO[C@@H](C)C2)CCO1 ZINC000247229335 300263718 /nfs/dbraw/zinc/26/37/18/300263718.db2.gz ZESXWPZNZHLOCJ-KBPBESRZSA-N 2 2 272.389 0.444 20 0 CCADLP C[C@H]1C[NH+](CCOCC[N@H+]2CCO[C@@H](C)C2)CCO1 ZINC000247229335 300263719 /nfs/dbraw/zinc/26/37/19/300263719.db2.gz ZESXWPZNZHLOCJ-KBPBESRZSA-N 2 2 272.389 0.444 20 0 CCADLP Cn1nccc1[C@H]1[C@@H]([NH2+]C2CC[NH+](C)CC2)CC(=O)N1C ZINC000345097886 303094440 /nfs/dbraw/zinc/09/44/40/303094440.db2.gz CIHPTUFYNXIHFK-SWLSCSKDSA-N 2 2 291.399 0.376 20 0 CCADLP CN1CC[NH2+]C[C@H]1CNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000580169859 327719089 /nfs/dbraw/zinc/71/90/89/327719089.db2.gz OAJROGYIIZDKJQ-LBPRGKRZSA-N 2 2 288.355 0.359 20 0 CCADLP Nc1ccc(NC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)c[nH+]1 ZINC000583935116 326801363 /nfs/dbraw/zinc/80/13/63/326801363.db2.gz PQSQODOJOFWTMZ-LBPRGKRZSA-N 2 2 286.339 0.867 20 0 CCADLP [NH3+]C[C@@H]1CCCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000573207398 327125961 /nfs/dbraw/zinc/12/59/61/327125961.db2.gz SJMJLINFPFOUHN-MELADBBJSA-N 2 2 253.390 0.520 20 0 CCADLP [NH3+]C[C@@H]1CCCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000573207398 327125962 /nfs/dbraw/zinc/12/59/62/327125962.db2.gz SJMJLINFPFOUHN-MELADBBJSA-N 2 2 253.390 0.520 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)N(C)CCCn1cc[nH+]c1 ZINC000584290133 327222165 /nfs/dbraw/zinc/22/21/65/327222165.db2.gz FSGOMVMXSXAGMW-NSHDSACASA-N 2 2 254.334 0.095 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)CCO1 ZINC000579011692 327355173 /nfs/dbraw/zinc/35/51/73/327355173.db2.gz ZXKMNRVQOSRPPD-XQQFMLRXSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)CCO1 ZINC000579011692 327355174 /nfs/dbraw/zinc/35/51/74/327355174.db2.gz ZXKMNRVQOSRPPD-XQQFMLRXSA-N 2 2 269.389 0.211 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@@H](C)C[NH3+])CC2)cc[nH+]1 ZINC000575121819 327504782 /nfs/dbraw/zinc/50/47/82/327504782.db2.gz ILHLUENSYNTZSE-JTQLQIEISA-N 2 2 263.345 0.028 20 0 CCADLP CC(C)[C@H](NC(=O)COC1CC[NH2+]CC1)c1[nH]cc[nH+]1 ZINC000582545105 329105021 /nfs/dbraw/zinc/10/50/21/329105021.db2.gz MXTCZOGBQDSCLI-ZDUSSCGKSA-N 2 2 280.372 0.992 20 0 CCADLP C[NH+](C)[C@H]1CCN(C(=O)[C@H]([NH3+])c2cscn2)C1 ZINC000582962398 329290519 /nfs/dbraw/zinc/29/05/19/329290519.db2.gz TXXINNUMCRYUEW-WCBMZHEXSA-N 2 2 254.359 0.305 20 0 CCADLP CCc1cnc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])s1 ZINC000583013758 329302460 /nfs/dbraw/zinc/30/24/60/329302460.db2.gz JPOJKQXIXWYIEJ-JTQLQIEISA-N 2 2 297.428 0.490 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000583200341 329359452 /nfs/dbraw/zinc/35/94/52/329359452.db2.gz HURLOEZYUKQLQS-GOOCMWNKSA-N 2 2 295.427 0.698 20 0 CCADLP CCC[NH+](CCC)CCCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000575866862 335126004 /nfs/dbraw/zinc/12/60/04/335126004.db2.gz NNECYRMNIHSLGU-OAHLLOKOSA-N 3 2 298.475 0.990 20 0 CCADLP CCC[NH+](CCC)CCCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000575866862 335126005 /nfs/dbraw/zinc/12/60/05/335126005.db2.gz NNECYRMNIHSLGU-OAHLLOKOSA-N 3 2 298.475 0.990 20 0 CCADLP COC[C@]1(C(=O)Nc2ccc(N)[nH+]c2)CC[NH2+]C1 ZINC000576100033 335153745 /nfs/dbraw/zinc/15/37/45/335153745.db2.gz UMCQSORRLNJXPA-LBPRGKRZSA-N 2 2 250.302 0.059 20 0 CCADLP CC[N@H+](CC[NH2+]C1CCC2(CC1)NC(=O)NC2=O)C1CC1 ZINC000553724014 334396724 /nfs/dbraw/zinc/39/67/24/334396724.db2.gz YGXGXWZDMQDOHB-UHFFFAOYSA-N 2 2 294.399 0.581 20 0 CCADLP CC[N@@H+](CC[NH2+]C1CCC2(CC1)NC(=O)NC2=O)C1CC1 ZINC000553724014 334396725 /nfs/dbraw/zinc/39/67/25/334396725.db2.gz YGXGXWZDMQDOHB-UHFFFAOYSA-N 2 2 294.399 0.581 20 0 CCADLP CSC1(C[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000576697825 335236011 /nfs/dbraw/zinc/23/60/11/335236011.db2.gz MHLODGIMLISTHF-UPJWGTAASA-N 2 2 288.457 0.942 20 0 CCADLP O=C(NCCNc1cc[nH+]cc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000576813102 335250243 /nfs/dbraw/zinc/25/02/43/335250243.db2.gz VLGLXUXDTBXDCX-GFCCVEGCSA-N 2 2 285.351 0.491 20 0 CCADLP COc1ccncc1C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000576861459 335256800 /nfs/dbraw/zinc/25/68/00/335256800.db2.gz RPAPTQTVDSXKOM-AAEUAGOBSA-N 2 2 265.357 0.947 20 0 CCADLP CC(C)c1[nH+]ccn1CCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000577182025 335317995 /nfs/dbraw/zinc/31/79/95/335317995.db2.gz JCRXDPRHDPNCOF-CYBMUJFWSA-N 3 2 293.415 0.498 20 0 CCADLP CC(C)c1[nH+]ccn1CCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000577182025 335317997 /nfs/dbraw/zinc/31/79/97/335317997.db2.gz JCRXDPRHDPNCOF-CYBMUJFWSA-N 3 2 293.415 0.498 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](COC)[C@@H]1CCCO1 ZINC000577506295 335361389 /nfs/dbraw/zinc/36/13/89/335361389.db2.gz ZZBQCBLRQPVQEK-UPJWGTAASA-N 2 2 260.378 0.083 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](COC)[C@@H]1CCCO1 ZINC000577506295 335361391 /nfs/dbraw/zinc/36/13/91/335361391.db2.gz ZZBQCBLRQPVQEK-UPJWGTAASA-N 2 2 260.378 0.083 20 0 CCADLP COc1ccc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1O ZINC000577602954 335376572 /nfs/dbraw/zinc/37/65/72/335376572.db2.gz VDIQQCJULYBVDT-ZDUSSCGKSA-N 2 2 280.368 0.946 20 0 CCADLP CC[C@@]1(C)COCC[N@@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000577623091 335380909 /nfs/dbraw/zinc/38/09/09/335380909.db2.gz DOSAEEPGWXMOTJ-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP CC[C@@]1(C)COCC[N@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000577623091 335380910 /nfs/dbraw/zinc/38/09/10/335380910.db2.gz DOSAEEPGWXMOTJ-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP CC[C@@]1(C)COCC[NH+]1C[C@@H](O)C[N@H+](C)CCOC ZINC000577623091 335380912 /nfs/dbraw/zinc/38/09/12/335380912.db2.gz DOSAEEPGWXMOTJ-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP CC[C@@]1(C)COCC[NH+]1C[C@@H](O)C[N@@H+](C)CCOC ZINC000577623091 335380914 /nfs/dbraw/zinc/38/09/14/335380914.db2.gz DOSAEEPGWXMOTJ-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP Cc1c[nH+]ccc1CC[NH2+]C[C@H](O)CN1CCOCC1 ZINC000578127139 335508914 /nfs/dbraw/zinc/50/89/14/335508914.db2.gz DEKBXNNKXUZCEO-HNNXBMFYSA-N 2 2 279.384 0.215 20 0 CCADLP Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@@H](C[NH3+])C3)C2=O)n(C)n1 ZINC000581133811 336013692 /nfs/dbraw/zinc/01/36/92/336013692.db2.gz FLBBRMNVESCBDR-STQMWFEESA-N 2 2 291.399 0.505 20 0 CCADLP Cc1cc(N2CC[C@H]([N@H+]3CCC[C@@H](C[NH3+])C3)C2=O)n(C)n1 ZINC000581133811 336013693 /nfs/dbraw/zinc/01/36/93/336013693.db2.gz FLBBRMNVESCBDR-STQMWFEESA-N 2 2 291.399 0.505 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000581486317 336087544 /nfs/dbraw/zinc/08/75/44/336087544.db2.gz FTQJEWFZJZEJEG-NWDGAFQWSA-N 2 2 277.372 0.052 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000581496618 336090059 /nfs/dbraw/zinc/09/00/59/336090059.db2.gz RAOHPJVSJGILFV-CYBMUJFWSA-N 2 2 294.399 0.632 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000581496618 336090062 /nfs/dbraw/zinc/09/00/62/336090062.db2.gz RAOHPJVSJGILFV-CYBMUJFWSA-N 2 2 294.399 0.632 20 0 CCADLP C[C@H](NC(=O)NCC1CC[NH2+]CC1)[C@H](C)[NH+]1CCOCC1 ZINC000581537680 336096759 /nfs/dbraw/zinc/09/67/59/336096759.db2.gz AGOFZPMYTCJJGM-STQMWFEESA-N 2 2 298.431 0.394 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]Cc1cccc(O)c1)C1CC1 ZINC000383639239 336116051 /nfs/dbraw/zinc/11/60/51/336116051.db2.gz MOOKKBDPVFCHNL-CQSZACIVSA-N 2 2 250.342 0.937 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1cccc(O)c1)C1CC1 ZINC000383639239 336116052 /nfs/dbraw/zinc/11/60/52/336116052.db2.gz MOOKKBDPVFCHNL-CQSZACIVSA-N 2 2 250.342 0.937 20 0 CCADLP CCn1cc[nH+]c1CNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000385393509 336145390 /nfs/dbraw/zinc/14/53/90/336145390.db2.gz VJGINDVQABBHJO-GFCCVEGCSA-N 2 2 252.362 0.448 20 0 CCADLP CCn1cc[nH+]c1CNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000385393509 336145392 /nfs/dbraw/zinc/14/53/92/336145392.db2.gz VJGINDVQABBHJO-GFCCVEGCSA-N 2 2 252.362 0.448 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@H]([NH3+])c2ccccc2)CCO1 ZINC000581886826 336160114 /nfs/dbraw/zinc/16/01/14/336160114.db2.gz SYAKXTNEWRSGOR-GXTWGEPZSA-N 2 2 277.368 0.523 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]([NH3+])c2ccccc2)CCO1 ZINC000581886826 336160115 /nfs/dbraw/zinc/16/01/15/336160115.db2.gz SYAKXTNEWRSGOR-GXTWGEPZSA-N 2 2 277.368 0.523 20 0 CCADLP C[N@@H+]1CCN(c2ncnc3cc(F)c(F)cc32)[C@H](C[NH3+])C1 ZINC000581934071 336171880 /nfs/dbraw/zinc/17/18/80/336171880.db2.gz GNVQBTYGPPIRBN-SECBINFHSA-N 2 2 293.321 0.987 20 0 CCADLP C[N@H+]1CCN(c2ncnc3cc(F)c(F)cc32)[C@H](C[NH3+])C1 ZINC000581934071 336171881 /nfs/dbraw/zinc/17/18/81/336171881.db2.gz GNVQBTYGPPIRBN-SECBINFHSA-N 2 2 293.321 0.987 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000449138421 533795580 /nfs/dbraw/zinc/79/55/80/533795580.db2.gz HXNIXYOBQZGZTF-SGMGOOAPSA-N 2 2 281.400 0.306 20 0 CCADLP C[C@H](CCC[NH3+])NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000423679351 533865633 /nfs/dbraw/zinc/86/56/33/533865633.db2.gz KCQDVIAMVFAIFI-OCCSQVGLSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@H](CCC[NH3+])NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000423679351 533865638 /nfs/dbraw/zinc/86/56/38/533865638.db2.gz KCQDVIAMVFAIFI-OCCSQVGLSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@H](CNC(=O)C[C@@H]1CC[NH2+]C1)Cn1cc[nH+]c1 ZINC000427293469 534076508 /nfs/dbraw/zinc/07/65/08/534076508.db2.gz BPIAYUOIPOYOBQ-NEPJUHHUSA-N 2 2 250.346 0.635 20 0 CCADLP C[C@@H](CNc1nc(N[C@H]2CCCOC2)cc[nH+]1)[NH+](C)C ZINC000450824702 534099680 /nfs/dbraw/zinc/09/96/80/534099680.db2.gz XMHUNZLRKCBSII-RYUDHWBXSA-N 2 2 279.388 0.851 20 0 CCADLP C[C@@H](Cn1cccn1)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449395141 534271049 /nfs/dbraw/zinc/27/10/49/534271049.db2.gz IAUCBANDSFDWTI-UONOGXRCSA-N 2 2 266.389 0.708 20 0 CCADLP C[C@@H](Cn1cccn1)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449395141 534271051 /nfs/dbraw/zinc/27/10/51/534271051.db2.gz IAUCBANDSFDWTI-UONOGXRCSA-N 2 2 266.389 0.708 20 0 CCADLP O=C(Nc1ncc(C2CC[NH2+]CC2)s1)[C@@H]1COCC[NH2+]1 ZINC000424196601 534472259 /nfs/dbraw/zinc/47/22/59/534472259.db2.gz NFTSPJIAZRZZAC-JTQLQIEISA-N 2 2 296.396 0.537 20 0 CCADLP CC1(C)C[N@H+](CCCn2cc[nH+]c2)C[C@H](CO)O1 ZINC000163867239 520464165 /nfs/dbraw/zinc/46/41/65/520464165.db2.gz DBABWGYMAKVMOT-GFCCVEGCSA-N 2 2 253.346 0.745 20 0 CCADLP CC1(C)C[N@@H+](CCCn2cc[nH+]c2)C[C@H](CO)O1 ZINC000163867239 520464178 /nfs/dbraw/zinc/46/41/78/520464178.db2.gz DBABWGYMAKVMOT-GFCCVEGCSA-N 2 2 253.346 0.745 20 0 CCADLP O=C(C[NH2+]CC1CC1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000423797694 534590584 /nfs/dbraw/zinc/59/05/84/534590584.db2.gz ICWGJOFOQJARLA-ZDUSSCGKSA-N 2 2 274.368 0.776 20 0 CCADLP C[N@H+](CC(=O)NC[C@@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353158192 522481735 /nfs/dbraw/zinc/48/17/35/522481735.db2.gz YHHYEPOCCHBWSG-IXXDHKBRSA-N 2 2 295.427 0.839 20 0 CCADLP C[N@@H+](CC(=O)NC[C@@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353158192 522481744 /nfs/dbraw/zinc/48/17/44/522481744.db2.gz YHHYEPOCCHBWSG-IXXDHKBRSA-N 2 2 295.427 0.839 20 0 CCADLP C[NH+](CC(=O)NC[C@@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353158192 522481750 /nfs/dbraw/zinc/48/17/50/522481750.db2.gz YHHYEPOCCHBWSG-IXXDHKBRSA-N 2 2 295.427 0.839 20 0 CCADLP C[NH+](CC(=O)NC[C@@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353158192 522481760 /nfs/dbraw/zinc/48/17/60/522481760.db2.gz YHHYEPOCCHBWSG-IXXDHKBRSA-N 2 2 295.427 0.839 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000340706146 522777628 /nfs/dbraw/zinc/77/76/28/522777628.db2.gz GEGZDGHPTBWNMQ-OAHLLOKOSA-N 3 2 269.433 0.765 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000340706146 522777637 /nfs/dbraw/zinc/77/76/37/522777637.db2.gz GEGZDGHPTBWNMQ-OAHLLOKOSA-N 3 2 269.433 0.765 20 0 CCADLP COC[C@](C)([NH2+]CCCn1cc[nH+]c1)C(=O)OC ZINC000182603105 522889512 /nfs/dbraw/zinc/88/95/12/522889512.db2.gz KGKOIZJSWQZXKA-LBPRGKRZSA-N 2 2 255.318 0.441 20 0 CCADLP COC(=O)CCNC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150838006 523094175 /nfs/dbraw/zinc/09/41/75/523094175.db2.gz NNBNQMMRBFJTHH-CYBMUJFWSA-N 2 2 297.399 0.083 20 0 CCADLP COC(=O)CCNC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150838006 523094179 /nfs/dbraw/zinc/09/41/79/523094179.db2.gz NNBNQMMRBFJTHH-CYBMUJFWSA-N 2 2 297.399 0.083 20 0 CCADLP COCCCNC(=O)C[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000340712643 523320788 /nfs/dbraw/zinc/32/07/88/523320788.db2.gz QIRRVVHZAXHPJL-ZDUSSCGKSA-N 2 2 257.378 0.071 20 0 CCADLP COCCCNC(=O)C[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000340712643 523320798 /nfs/dbraw/zinc/32/07/98/523320798.db2.gz QIRRVVHZAXHPJL-ZDUSSCGKSA-N 2 2 257.378 0.071 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261649543 534707984 /nfs/dbraw/zinc/70/79/84/534707984.db2.gz YAGYUAZCVMDLBD-ZDUSSCGKSA-N 2 2 270.377 0.281 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261649543 534707988 /nfs/dbraw/zinc/70/79/88/534707988.db2.gz YAGYUAZCVMDLBD-ZDUSSCGKSA-N 2 2 270.377 0.281 20 0 CCADLP Cc1nc(N2CCN(C(=O)N[C@@H](C)[C@@H](C)[NH3+])CC2)cc[nH+]1 ZINC000418728287 534754349 /nfs/dbraw/zinc/75/43/49/534754349.db2.gz QEAHXOILTRKEFZ-MNOVXSKESA-N 2 2 292.387 0.352 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC000357636449 524043670 /nfs/dbraw/zinc/04/36/70/524043670.db2.gz MLPYRIGWHGWRSZ-LBPRGKRZSA-N 2 2 271.405 0.099 20 0 CCADLP C[C@H](CO)CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369362984 524525453 /nfs/dbraw/zinc/52/54/53/524525453.db2.gz IOHSIQXTXTTZBJ-QWHCGFSZSA-N 2 2 298.431 0.083 20 0 CCADLP C[C@H](CO)CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369362984 524525465 /nfs/dbraw/zinc/52/54/65/524525465.db2.gz IOHSIQXTXTTZBJ-QWHCGFSZSA-N 2 2 298.431 0.083 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCCCn1cc[nH+]c1 ZINC000049152987 524785889 /nfs/dbraw/zinc/78/58/89/524785889.db2.gz CQNPTYQQMGDBOW-GFCCVEGCSA-N 2 2 276.344 0.858 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCCC[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000246745344 524845545 /nfs/dbraw/zinc/84/55/45/524845545.db2.gz ZKHNFNCNIZLMJO-MCIONIFRSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000151367042 524894096 /nfs/dbraw/zinc/89/40/96/524894096.db2.gz FKQGUPCUFOFLGE-HIFRSBDPSA-N 3 2 269.433 0.763 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000151367042 524894104 /nfs/dbraw/zinc/89/41/04/524894104.db2.gz FKQGUPCUFOFLGE-HIFRSBDPSA-N 3 2 269.433 0.763 20 0 CCADLP C[C@@H]1C[C@H](NC[C@@H]2C[NH+](C)CCN2C)CC[N@@H+]1C ZINC000156298652 525438189 /nfs/dbraw/zinc/43/81/89/525438189.db2.gz BWFPOMUPHTVYHP-MGPQQGTHSA-N 2 2 254.422 0.305 20 0 CCADLP C[C@@H]1C[C@H](NC[C@@H]2C[NH+](C)CCN2C)CC[N@H+]1C ZINC000156298652 525438203 /nfs/dbraw/zinc/43/82/03/525438203.db2.gz BWFPOMUPHTVYHP-MGPQQGTHSA-N 2 2 254.422 0.305 20 0 CCADLP C[C@@H]1C[C@H](NC[C@@H]2C[N@H+](C)CCN2C)CC[NH+]1C ZINC000156298652 525438212 /nfs/dbraw/zinc/43/82/12/525438212.db2.gz BWFPOMUPHTVYHP-MGPQQGTHSA-N 2 2 254.422 0.305 20 0 CCADLP C[C@@H]1C[C@H](NC[C@@H]2C[N@@H+](C)CCN2C)CC[NH+]1C ZINC000156298652 525438220 /nfs/dbraw/zinc/43/82/20/525438220.db2.gz BWFPOMUPHTVYHP-MGPQQGTHSA-N 2 2 254.422 0.305 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(C)CCN2C)CC[N@@H+]1C ZINC000156298652 525438230 /nfs/dbraw/zinc/43/82/30/525438230.db2.gz BWFPOMUPHTVYHP-MGPQQGTHSA-N 2 2 254.422 0.305 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(C)CCN2C)CC[N@H+]1C ZINC000156298652 525438241 /nfs/dbraw/zinc/43/82/41/525438241.db2.gz BWFPOMUPHTVYHP-MGPQQGTHSA-N 2 2 254.422 0.305 20 0 CCADLP Cc1cccn2c(C[NH2+][C@]3(CO)CCOC3)c[nH+]c12 ZINC000184197011 525468132 /nfs/dbraw/zinc/46/81/32/525468132.db2.gz HBIXLZGFRUZSSB-AWEZNQCLSA-N 2 2 261.325 0.884 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)C[C@H]1C ZINC000246729777 525757535 /nfs/dbraw/zinc/75/75/35/525757535.db2.gz YFOYMNFLHGSOPT-IPYPFGDCSA-N 2 2 291.395 0.600 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)C[C@H]1C ZINC000246729777 525757538 /nfs/dbraw/zinc/75/75/38/525757538.db2.gz YFOYMNFLHGSOPT-IPYPFGDCSA-N 2 2 291.395 0.600 20 0 CCADLP CC[C@@H](C)[N@H+](C)CCNc1nc[nH+]c2c1OCCN2 ZINC000665697879 545103568 /nfs/dbraw/zinc/10/35/68/545103568.db2.gz YKDCKTMNBRBQIO-SNVBAGLBSA-N 2 2 265.361 0.536 20 0 CCADLP CC[C@@H](C)[N@@H+](C)CCNc1nc[nH+]c2c1OCCN2 ZINC000665697879 545103569 /nfs/dbraw/zinc/10/35/69/545103569.db2.gz YKDCKTMNBRBQIO-SNVBAGLBSA-N 2 2 265.361 0.536 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000261813904 536435873 /nfs/dbraw/zinc/43/58/73/536435873.db2.gz SPGZBRLJJSWNBY-UONOGXRCSA-N 2 2 283.416 0.731 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000261813904 536435878 /nfs/dbraw/zinc/43/58/78/536435878.db2.gz SPGZBRLJJSWNBY-UONOGXRCSA-N 2 2 283.416 0.731 20 0 CCADLP O=C(NCc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CSC[NH2+]1 ZINC000370763093 526649768 /nfs/dbraw/zinc/64/97/68/526649768.db2.gz DTWMSLDGLBRNKW-NSHDSACASA-N 2 2 289.364 0.546 20 0 CCADLP CC(C)(CCC[NH3+])NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000418227027 527010463 /nfs/dbraw/zinc/01/04/63/527010463.db2.gz ZWRDCFLBAKEQRS-CYBMUJFWSA-N 2 2 298.431 0.666 20 0 CCADLP CC(C)(CCC[NH3+])NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000418227027 527010468 /nfs/dbraw/zinc/01/04/68/527010468.db2.gz ZWRDCFLBAKEQRS-CYBMUJFWSA-N 2 2 298.431 0.666 20 0 CCADLP FC(F)(F)c1cc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)[nH]n1 ZINC000666965404 545135979 /nfs/dbraw/zinc/13/59/79/545135979.db2.gz LAQIJZYMRFQRDK-VIFPVBQESA-N 2 2 278.278 0.897 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000667182742 545140704 /nfs/dbraw/zinc/14/07/04/545140704.db2.gz HYTLSPXHVVKSJX-CYZMBNFOSA-N 2 2 274.368 0.877 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000667182742 545140705 /nfs/dbraw/zinc/14/07/05/545140705.db2.gz HYTLSPXHVVKSJX-CYZMBNFOSA-N 2 2 274.368 0.877 20 0 CCADLP OCC[NH+]1CCN(Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667461665 545148207 /nfs/dbraw/zinc/14/82/07/545148207.db2.gz JPKKGTYOOQACPV-UHFFFAOYSA-N 2 2 287.367 0.377 20 0 CCADLP C[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C(C)(F)F ZINC000667654400 545152882 /nfs/dbraw/zinc/15/28/82/545152882.db2.gz XGSFRPITQSLJNI-BDAKNGLRSA-N 2 2 264.320 0.314 20 0 CCADLP C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C(C)(F)F ZINC000667654400 545152883 /nfs/dbraw/zinc/15/28/83/545152883.db2.gz XGSFRPITQSLJNI-BDAKNGLRSA-N 2 2 264.320 0.314 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(Cc2c[nH+]c3n2CCC3)[C@H](C)C1 ZINC000668093688 545163099 /nfs/dbraw/zinc/16/30/99/545163099.db2.gz QWXSPZKICZPMGJ-CHWSQXEVSA-N 2 2 278.400 0.716 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(Cc2c[nH+]c3n2CCC3)[C@H](C)C1 ZINC000668093688 545163100 /nfs/dbraw/zinc/16/31/00/545163100.db2.gz QWXSPZKICZPMGJ-CHWSQXEVSA-N 2 2 278.400 0.716 20 0 CCADLP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000668330257 545173666 /nfs/dbraw/zinc/17/36/66/545173666.db2.gz OFWUHGLNKPKNDQ-QWRGUYRKSA-N 2 2 262.357 0.725 20 0 CCADLP C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000668330257 545173667 /nfs/dbraw/zinc/17/36/67/545173667.db2.gz OFWUHGLNKPKNDQ-QWRGUYRKSA-N 2 2 262.357 0.725 20 0 CCADLP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000668330257 545173668 /nfs/dbraw/zinc/17/36/68/545173668.db2.gz OFWUHGLNKPKNDQ-QWRGUYRKSA-N 2 2 262.357 0.725 20 0 CCADLP C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000668330257 545173669 /nfs/dbraw/zinc/17/36/69/545173669.db2.gz OFWUHGLNKPKNDQ-QWRGUYRKSA-N 2 2 262.357 0.725 20 0 CCADLP C[N@H+]1CCN(C(=O)NCc2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000668551170 545181449 /nfs/dbraw/zinc/18/14/49/545181449.db2.gz SCKJSVXCJDIDAR-CYBMUJFWSA-N 2 2 280.347 0.610 20 0 CCADLP COc1cccc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000668565024 545181904 /nfs/dbraw/zinc/18/19/04/545181904.db2.gz HULKLWNQVQSBFG-CYBMUJFWSA-N 2 2 292.383 0.480 20 0 CCADLP COc1cccc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000668565024 545181905 /nfs/dbraw/zinc/18/19/05/545181905.db2.gz HULKLWNQVQSBFG-CYBMUJFWSA-N 2 2 292.383 0.480 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ncc[nH]3)C2)CC1 ZINC000668640693 545184813 /nfs/dbraw/zinc/18/48/13/545184813.db2.gz VYKFAEVUSCMWPT-NSHDSACASA-N 2 2 277.372 0.308 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ncc[nH]3)C2)CC1 ZINC000668640693 545184814 /nfs/dbraw/zinc/18/48/14/545184814.db2.gz VYKFAEVUSCMWPT-NSHDSACASA-N 2 2 277.372 0.308 20 0 CCADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CNc3ccnn3C2)C1 ZINC000668681403 545187044 /nfs/dbraw/zinc/18/70/44/545187044.db2.gz JZKFOJQTGPCOMV-QWHCGFSZSA-N 2 2 263.389 0.999 20 0 CCADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@H]2CNc3ccnn3C2)C1 ZINC000668681403 545187045 /nfs/dbraw/zinc/18/70/45/545187045.db2.gz JZKFOJQTGPCOMV-QWHCGFSZSA-N 2 2 263.389 0.999 20 0 CCADLP CCN(C)C(=O)[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000451307224 527763178 /nfs/dbraw/zinc/76/31/78/527763178.db2.gz ANDOPHQKKLOOPP-KGLIPLIRSA-N 2 2 285.432 0.534 20 0 CCADLP CCN(C)C(=O)[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000451307224 527763183 /nfs/dbraw/zinc/76/31/83/527763183.db2.gz ANDOPHQKKLOOPP-KGLIPLIRSA-N 2 2 285.432 0.534 20 0 CCADLP C[C@H]1C[N@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@]1(C)CO ZINC000668737124 545189393 /nfs/dbraw/zinc/18/93/93/545189393.db2.gz LSBUUGNRIKNULW-SMDDNHRTSA-N 2 2 266.389 0.936 20 0 CCADLP C[C@H]1C[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@]1(C)CO ZINC000668737124 545189394 /nfs/dbraw/zinc/18/93/94/545189394.db2.gz LSBUUGNRIKNULW-SMDDNHRTSA-N 2 2 266.389 0.936 20 0 CCADLP Cc1n[nH]cc1C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668741379 545189479 /nfs/dbraw/zinc/18/94/79/545189479.db2.gz RHFJPTVTJPTGTF-CQSZACIVSA-N 2 2 264.373 0.749 20 0 CCADLP Cc1n[nH]cc1C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668741379 545189480 /nfs/dbraw/zinc/18/94/80/545189480.db2.gz RHFJPTVTJPTGTF-CQSZACIVSA-N 2 2 264.373 0.749 20 0 CCADLP CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](C)OC ZINC000361573624 527897821 /nfs/dbraw/zinc/89/78/21/527897821.db2.gz MGURHDRXGNPMLM-LBPRGKRZSA-N 2 2 257.378 0.117 20 0 CCADLP CC[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](C)OC ZINC000361573624 527897827 /nfs/dbraw/zinc/89/78/27/527897827.db2.gz MGURHDRXGNPMLM-LBPRGKRZSA-N 2 2 257.378 0.117 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC(=O)N(C(C)C)C2)C1 ZINC000358161446 527974746 /nfs/dbraw/zinc/97/47/46/527974746.db2.gz UIXMGEIGPJVDPE-YNEHKIRRSA-N 2 2 253.390 0.926 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC(=O)N(C(C)C)C2)C1 ZINC000358161446 527974752 /nfs/dbraw/zinc/97/47/52/527974752.db2.gz UIXMGEIGPJVDPE-YNEHKIRRSA-N 2 2 253.390 0.926 20 0 CCADLP C[C@H](CNC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)[NH+]1CCOCC1 ZINC000669283168 545204434 /nfs/dbraw/zinc/20/44/34/545204434.db2.gz CKHHZXJTBBWXSQ-HZSPNIEDSA-N 2 2 296.415 0.101 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2Cc3ccccc32)[C@H](C[NH3+])C1 ZINC000669404468 545207445 /nfs/dbraw/zinc/20/74/45/545207445.db2.gz WFHWSEQYQSRAAF-UONOGXRCSA-N 2 2 288.395 0.611 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@@H]2Cc3ccccc32)[C@H](C[NH3+])C1 ZINC000669404468 545207446 /nfs/dbraw/zinc/20/74/46/545207446.db2.gz WFHWSEQYQSRAAF-UONOGXRCSA-N 2 2 288.395 0.611 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000669461868 545208824 /nfs/dbraw/zinc/20/88/24/545208824.db2.gz GOGNAPWTXQNAOH-OLZOCXBDSA-N 2 2 284.404 0.148 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000669461868 545208825 /nfs/dbraw/zinc/20/88/25/545208825.db2.gz GOGNAPWTXQNAOH-OLZOCXBDSA-N 2 2 284.404 0.148 20 0 CCADLP CC[NH+](CC)CCOCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492810640 528140527 /nfs/dbraw/zinc/14/05/27/528140527.db2.gz ISUDTECJFKYTNQ-AATRIKPKSA-N 2 2 280.372 0.898 20 0 CCADLP CCC[NH+]1CCC([NH2+]C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000358261183 528204319 /nfs/dbraw/zinc/20/43/19/528204319.db2.gz ZFRTWYXXIVRNPO-AWEZNQCLSA-N 3 2 255.406 0.517 20 0 CCADLP CCC[NH+]1CCC([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000358261183 528204323 /nfs/dbraw/zinc/20/43/23/528204323.db2.gz ZFRTWYXXIVRNPO-AWEZNQCLSA-N 3 2 255.406 0.517 20 0 CCADLP CCn1c[nH+]cc1CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000669502145 545211020 /nfs/dbraw/zinc/21/10/20/545211020.db2.gz HRJIFYBQQPSOPE-GJZGRUSLSA-N 2 2 278.400 0.934 20 0 CCADLP Cc1cccn2cc(CCNC(=O)N3CC[C@H]([NH3+])C3)[nH+]c12 ZINC000669512140 545211641 /nfs/dbraw/zinc/21/16/41/545211641.db2.gz YRAQLOCMESVOAG-LBPRGKRZSA-N 2 2 287.367 0.928 20 0 CCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000669538304 545213656 /nfs/dbraw/zinc/21/36/56/545213656.db2.gz KDHHKZRDAZCSCD-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000669538304 545213657 /nfs/dbraw/zinc/21/36/57/545213657.db2.gz KDHHKZRDAZCSCD-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP O=C(NC[C@H]1CCCC[NH2+]1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000669588679 545215526 /nfs/dbraw/zinc/21/55/26/545215526.db2.gz INMQCAPEVPIFJW-WDEREUQCSA-N 2 2 277.372 0.708 20 0 CCADLP O=C(NC[C@H]1CCCC[NH2+]1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000669588679 545215527 /nfs/dbraw/zinc/21/55/27/545215527.db2.gz INMQCAPEVPIFJW-WDEREUQCSA-N 2 2 277.372 0.708 20 0 CCADLP O=C(NC[C@@H]1CCCC[NH2+]1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000669588678 545215707 /nfs/dbraw/zinc/21/57/07/545215707.db2.gz INMQCAPEVPIFJW-QWRGUYRKSA-N 2 2 277.372 0.708 20 0 CCADLP O=C(NC[C@@H]1CCCC[NH2+]1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000669588678 545215708 /nfs/dbraw/zinc/21/57/08/545215708.db2.gz INMQCAPEVPIFJW-QWRGUYRKSA-N 2 2 277.372 0.708 20 0 CCADLP CC[NH2+]CCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000418318619 528310960 /nfs/dbraw/zinc/31/09/60/528310960.db2.gz AFIXDNPFBDJYTM-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP COCC[C@H]1CCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000669699156 545219608 /nfs/dbraw/zinc/21/96/08/545219608.db2.gz UCUPSZPNUZQDHV-KGLIPLIRSA-N 2 2 283.416 0.555 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423601574 528474308 /nfs/dbraw/zinc/47/43/08/528474308.db2.gz BZTMOXZXBCTXHY-HIFRSBDPSA-N 2 2 283.416 0.685 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423601574 528474314 /nfs/dbraw/zinc/47/43/14/528474314.db2.gz BZTMOXZXBCTXHY-HIFRSBDPSA-N 2 2 283.416 0.685 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000423539697 528478580 /nfs/dbraw/zinc/47/85/80/528478580.db2.gz BYAMEWACHZBWCL-BFHYXJOUSA-N 2 2 283.416 0.602 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000423539697 528478585 /nfs/dbraw/zinc/47/85/85/528478585.db2.gz BYAMEWACHZBWCL-BFHYXJOUSA-N 2 2 283.416 0.602 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000671744066 545259319 /nfs/dbraw/zinc/25/93/19/545259319.db2.gz WVFOWQIUEJZDRX-ZNMIVQPWSA-N 3 2 294.443 0.223 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000671744066 545259320 /nfs/dbraw/zinc/25/93/20/545259320.db2.gz WVFOWQIUEJZDRX-ZNMIVQPWSA-N 3 2 294.443 0.223 20 0 CCADLP CCCC[C@@H]([NH3+])C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000423774776 528834918 /nfs/dbraw/zinc/83/49/18/528834918.db2.gz BZKXGIZJENYEHV-CYBMUJFWSA-N 2 2 291.399 0.951 20 0 CCADLP C[C@@H](C(=O)N[C@H]1CCc2c[nH+]cn2C1)[NH+]1CCSCC1 ZINC000672155052 545263737 /nfs/dbraw/zinc/26/37/37/545263737.db2.gz WWIFEUKLQIRHPX-RYUDHWBXSA-N 2 2 294.424 0.751 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC000672209407 545264792 /nfs/dbraw/zinc/26/47/92/545264792.db2.gz BGWXEQFGASCUTE-RBSFLKMASA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@H]1CCCC[N@H+]1C ZINC000672209407 545264793 /nfs/dbraw/zinc/26/47/93/545264793.db2.gz BGWXEQFGASCUTE-RBSFLKMASA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCC[NH+](C)C ZINC000672663665 545271136 /nfs/dbraw/zinc/27/11/36/545271136.db2.gz VBRFWSCLTLELNE-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)CC1 ZINC000420358609 528980601 /nfs/dbraw/zinc/98/06/01/528980601.db2.gz FODOFECCQTWKPM-WOSRLPQWSA-N 3 2 296.459 0.563 20 0 CCADLP CCC[C@@H](O)C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000450429876 529026611 /nfs/dbraw/zinc/02/66/11/529026611.db2.gz NTTFQVCWVBPDHF-CYBMUJFWSA-N 2 2 293.415 0.826 20 0 CCADLP CCC[C@@H](O)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000450402237 529026707 /nfs/dbraw/zinc/02/67/07/529026707.db2.gz KLEHFKXPZFQISM-GFCCVEGCSA-N 2 2 252.362 0.688 20 0 CCADLP C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)[C@@H]1C[N@H+](C)CCO1 ZINC000673017418 545277859 /nfs/dbraw/zinc/27/78/59/545277859.db2.gz YDMJGJUTUMOQJN-MNOVXSKESA-N 2 2 266.345 0.178 20 0 CCADLP C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000673017418 545277860 /nfs/dbraw/zinc/27/78/60/545277860.db2.gz YDMJGJUTUMOQJN-MNOVXSKESA-N 2 2 266.345 0.178 20 0 CCADLP C[NH+](C)C[C@H](CO)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000673520957 545286905 /nfs/dbraw/zinc/28/69/05/545286905.db2.gz JBUOFGWSPFXENC-CYBMUJFWSA-N 2 2 288.351 0.525 20 0 CCADLP CCSCC[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424293439 529179875 /nfs/dbraw/zinc/17/98/75/529179875.db2.gz NVLMVVGEBVQEBH-NWDGAFQWSA-N 2 2 254.403 0.900 20 0 CCADLP CCSCC[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424293439 529179876 /nfs/dbraw/zinc/17/98/76/529179876.db2.gz NVLMVVGEBVQEBH-NWDGAFQWSA-N 2 2 254.403 0.900 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000673667966 545290656 /nfs/dbraw/zinc/29/06/56/545290656.db2.gz CNQXTGPUHRARMN-LLVKDONJSA-N 2 2 260.297 0.603 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000673667966 545290657 /nfs/dbraw/zinc/29/06/57/545290657.db2.gz CNQXTGPUHRARMN-LLVKDONJSA-N 2 2 260.297 0.603 20 0 CCADLP C[NH+](C)[C@]1(C[NH2+]C[C@@H]2CNc3ccnn3C2)CCSC1 ZINC000673931559 545296352 /nfs/dbraw/zinc/29/63/52/545296352.db2.gz HZYODDNMZJYYGQ-OCCSQVGLSA-N 2 2 295.456 0.952 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)C[NH+](C)C(C)C)CCO1 ZINC000428056374 529292093 /nfs/dbraw/zinc/29/20/93/529292093.db2.gz SQLMSNDVUYLVKB-ZDUSSCGKSA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)C[NH+](C)C(C)C)CCO1 ZINC000428056374 529292095 /nfs/dbraw/zinc/29/20/95/529292095.db2.gz SQLMSNDVUYLVKB-ZDUSSCGKSA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@H]1C[NH+](CCNC(=O)C[N@H+](C)C(C)C)CCO1 ZINC000428056374 529292096 /nfs/dbraw/zinc/29/20/96/529292096.db2.gz SQLMSNDVUYLVKB-ZDUSSCGKSA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@H]1C[NH+](CCNC(=O)C[N@@H+](C)C(C)C)CCO1 ZINC000428056374 529292097 /nfs/dbraw/zinc/29/20/97/529292097.db2.gz SQLMSNDVUYLVKB-ZDUSSCGKSA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)/C=C/C[NH+](C)C)CCO1 ZINC000493769426 529292176 /nfs/dbraw/zinc/29/21/76/529292176.db2.gz GHSFGJFSFOUWEO-GFUIURDCSA-N 2 2 269.389 0.331 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)/C=C/C[NH+](C)C)CCO1 ZINC000493769426 529292178 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CCCNC(=O)CN(C)C(=O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250563735 535055702 /nfs/dbraw/zinc/05/57/02/535055702.db2.gz XIPXEQUNGXVHHV-QWHCGFSZSA-N 2 2 298.431 0.030 20 0 CCADLP CC(C)[C@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1[nH]cc[nH+]1 ZINC000517234710 535085901 /nfs/dbraw/zinc/08/59/01/535085901.db2.gz QJBWZAOYUKZNAO-PWSUYJOCSA-N 2 2 293.371 0.091 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)CC1 ZINC000261682693 535157991 /nfs/dbraw/zinc/15/79/91/535157991.db2.gz HAGMPQJVFOEPPZ-MRXNPFEDSA-N 3 2 296.459 0.646 20 0 CCADLP CCOCCC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362829239 535515228 /nfs/dbraw/zinc/51/52/28/535515228.db2.gz GDYFUIBFAIHPQS-CYBMUJFWSA-N 2 2 269.389 0.309 20 0 CCADLP CCOCCC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362829239 535515235 /nfs/dbraw/zinc/51/52/35/535515235.db2.gz GDYFUIBFAIHPQS-CYBMUJFWSA-N 2 2 269.389 0.309 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)[C@H]1C[N@H+](C)CCO1 ZINC000676701492 545349414 /nfs/dbraw/zinc/34/94/14/545349414.db2.gz IALDZYZSGQSLFW-RWMBFGLXSA-N 2 2 292.383 0.281 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)[C@H]1C[N@@H+](C)CCO1 ZINC000676701492 545349415 /nfs/dbraw/zinc/34/94/15/545349415.db2.gz IALDZYZSGQSLFW-RWMBFGLXSA-N 2 2 292.383 0.281 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000676842698 545353537 /nfs/dbraw/zinc/35/35/37/545353537.db2.gz FIEAEDLLCMDVLX-NWDGAFQWSA-N 2 2 274.368 0.798 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000676842698 545353538 /nfs/dbraw/zinc/35/35/38/545353538.db2.gz FIEAEDLLCMDVLX-NWDGAFQWSA-N 2 2 274.368 0.798 20 0 CCADLP CC[NH+]1CCN([C@@H](C)CNC(=O)CCn2cc[nH+]c2)CC1 ZINC000349118883 535726585 /nfs/dbraw/zinc/72/65/85/535726585.db2.gz OPBOVTBYUBZUAX-AWEZNQCLSA-N 2 2 293.415 0.415 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC000677194112 545360458 /nfs/dbraw/zinc/36/04/58/545360458.db2.gz QKDHWFUYPGCFKM-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC000677194112 545360459 /nfs/dbraw/zinc/36/04/59/545360459.db2.gz QKDHWFUYPGCFKM-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP C[NH+](C)CCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000370428502 535888649 /nfs/dbraw/zinc/88/86/49/535888649.db2.gz PPRRCSDXTNVXMP-CYBMUJFWSA-N 2 2 269.389 0.165 20 0 CCADLP C[NH+](C)CCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000370428502 535888650 /nfs/dbraw/zinc/88/86/50/535888650.db2.gz PPRRCSDXTNVXMP-CYBMUJFWSA-N 2 2 269.389 0.165 20 0 CCADLP CC[C@@]1(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CCC[NH2+]1 ZINC000343779265 536024480 /nfs/dbraw/zinc/02/44/80/536024480.db2.gz ZRGHPXNEDKVIGO-OCCSQVGLSA-N 2 2 269.389 0.356 20 0 CCADLP CC[C@@]1(C(=O)NCC[N@H+]2CCOC[C@H]2C)CCC[NH2+]1 ZINC000343779265 536024483 /nfs/dbraw/zinc/02/44/83/536024483.db2.gz ZRGHPXNEDKVIGO-OCCSQVGLSA-N 2 2 269.389 0.356 20 0 CCADLP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)NC[C@@H]2CCCO2)CC1 ZINC000372992534 536136141 /nfs/dbraw/zinc/13/61/41/536136141.db2.gz XUFZASFABIWBLA-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)NC[C@@H]2CCCO2)CC1 ZINC000372992534 536136138 /nfs/dbraw/zinc/13/61/38/536136138.db2.gz XUFZASFABIWBLA-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@H](NC(=O)N(C)Cc1[nH+]ccn1C)[C@@H]1C[N@H+](C)CCO1 ZINC000678781568 545397572 /nfs/dbraw/zinc/39/75/72/545397572.db2.gz KFSQNEBRFQIADB-RYUDHWBXSA-N 2 2 295.387 0.281 20 0 CCADLP C[C@H](NC(=O)N(C)Cc1[nH+]ccn1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000678781568 545397573 /nfs/dbraw/zinc/39/75/73/545397573.db2.gz KFSQNEBRFQIADB-RYUDHWBXSA-N 2 2 295.387 0.281 20 0 CCADLP C[NH2+][C@H](C(=O)NC[C@H](C)Cn1cc[nH+]c1)c1cnn(C)c1 ZINC000357199563 536382776 /nfs/dbraw/zinc/38/27/76/536382776.db2.gz KUVCZWBOLASBFJ-AAEUAGOBSA-N 2 2 290.371 0.330 20 0 CCADLP CNC(=O)c1ccc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C[NH3+])cc1 ZINC000359047840 536424072 /nfs/dbraw/zinc/42/40/72/536424072.db2.gz UUTYMGVSEXJNCF-LSDHHAIUSA-N 2 2 291.395 0.984 20 0 CCADLP CNC(=O)c1ccc(C[N@H+]2CC[C@@H](OC)C[C@H]2C[NH3+])cc1 ZINC000359047840 536424075 /nfs/dbraw/zinc/42/40/75/536424075.db2.gz UUTYMGVSEXJNCF-LSDHHAIUSA-N 2 2 291.395 0.984 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1CCCn1cc[nH+]c1C ZINC000372310285 536511030 /nfs/dbraw/zinc/51/10/30/536511030.db2.gz BVRYRQAILWQHCJ-OLZOCXBDSA-N 2 2 281.356 0.844 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1CCCn1cc[nH+]c1C ZINC000372310285 536511038 /nfs/dbraw/zinc/51/10/38/536511038.db2.gz BVRYRQAILWQHCJ-OLZOCXBDSA-N 2 2 281.356 0.844 20 0 CCADLP O[C@@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@@H]1O ZINC000680328955 545425680 /nfs/dbraw/zinc/42/56/80/545425680.db2.gz LWUNREGMXXTEAU-TXEJJXNPSA-N 2 2 265.338 0.471 20 0 CCADLP O[C@@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@@H]1O ZINC000680328955 545425681 /nfs/dbraw/zinc/42/56/81/545425681.db2.gz LWUNREGMXXTEAU-TXEJJXNPSA-N 2 2 265.338 0.471 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682498867 545480832 /nfs/dbraw/zinc/48/08/32/545480832.db2.gz DTVVSOCGWPQGCH-GFCCVEGCSA-N 2 2 264.373 0.902 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682498867 545480833 /nfs/dbraw/zinc/48/08/33/545480833.db2.gz DTVVSOCGWPQGCH-GFCCVEGCSA-N 2 2 264.373 0.902 20 0 CCADLP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000682501976 545481148 /nfs/dbraw/zinc/48/11/48/545481148.db2.gz BSOFKVZRFCTYQS-QWHCGFSZSA-N 2 2 276.384 0.856 20 0 CCADLP C[C@H](Nc1nc2c(cnn2C)c(N)[nH+]1)[C@H]1C[N@H+](C)CCO1 ZINC000683458315 545524046 /nfs/dbraw/zinc/52/40/46/545524046.db2.gz DXDUXKSQIUEMSR-WCBMZHEXSA-N 2 2 291.359 0.077 20 0 CCADLP C[C@H](Nc1nc2c(cnn2C)c(N)[nH+]1)[C@H]1C[N@@H+](C)CCO1 ZINC000683458315 545524049 /nfs/dbraw/zinc/52/40/49/545524049.db2.gz DXDUXKSQIUEMSR-WCBMZHEXSA-N 2 2 291.359 0.077 20 0 CCADLP NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cc[nH+]c(N)c1 ZINC000683787457 545563908 /nfs/dbraw/zinc/56/39/08/545563908.db2.gz JQJMQRPYSFZAHG-MDZLAQPJSA-N 2 2 260.341 0.750 20 0 CCADLP NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cc[nH+]c(N)c1 ZINC000683787457 545563910 /nfs/dbraw/zinc/56/39/10/545563910.db2.gz JQJMQRPYSFZAHG-MDZLAQPJSA-N 2 2 260.341 0.750 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000683667449 545556332 /nfs/dbraw/zinc/55/63/32/545556332.db2.gz DDZQITFPCVLAOF-ZNMIVQPWSA-N 2 2 288.432 0.861 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000683667449 545556333 /nfs/dbraw/zinc/55/63/33/545556333.db2.gz DDZQITFPCVLAOF-ZNMIVQPWSA-N 2 2 288.432 0.861 20 0 CCADLP CC1(C)CN(C(=O)[C@@H]2CCC[NH+]2C2CC2)CC[N@@H+]1CCO ZINC000683874667 545575308 /nfs/dbraw/zinc/57/53/08/545575308.db2.gz GETMGGFJQRNTMQ-AWEZNQCLSA-N 2 2 295.427 0.528 20 0 CCADLP CC1(C)CN(C(=O)[C@@H]2CCC[NH+]2C2CC2)CC[N@H+]1CCO ZINC000683874667 545575313 /nfs/dbraw/zinc/57/53/13/545575313.db2.gz GETMGGFJQRNTMQ-AWEZNQCLSA-N 2 2 295.427 0.528 20 0 CCADLP CC1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC[NH+]1CCO ZINC000683874667 545575318 /nfs/dbraw/zinc/57/53/18/545575318.db2.gz GETMGGFJQRNTMQ-AWEZNQCLSA-N 2 2 295.427 0.528 20 0 CCADLP CC1(C)CN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC[NH+]1CCO ZINC000683874667 545575320 /nfs/dbraw/zinc/57/53/20/545575320.db2.gz GETMGGFJQRNTMQ-AWEZNQCLSA-N 2 2 295.427 0.528 20 0 CCADLP CN(C)[C@@H](C(=O)N1CC[C@@H](C[NH+](C)C)C1)c1c[nH+]cn1C ZINC000684835286 545747438 /nfs/dbraw/zinc/74/74/38/545747438.db2.gz WIQPLWQIAJZXTI-GXTWGEPZSA-N 2 2 293.415 0.433 20 0 CCADLP C[NH+]1CCC(CN2C(=O)CNC2=O)([NH+]2CCCCC2)CC1 ZINC000777662744 581129175 /nfs/dbraw/zinc/12/91/75/581129175.db2.gz BVHKCSQTTNMJRX-UHFFFAOYSA-N 2 2 294.399 0.489 20 0 CCADLP Cc1cc(NCC[N@@H+]2CCO[C@H](C)C2)nc(N)[nH+]1 ZINC000725790243 581133447 /nfs/dbraw/zinc/13/34/47/581133447.db2.gz UTJLUHKNIMJKAC-SNVBAGLBSA-N 2 2 251.334 0.500 20 0 CCADLP Cc1cc(NCC[N@H+]2CCO[C@H](C)C2)nc(N)[nH+]1 ZINC000725790243 581133450 /nfs/dbraw/zinc/13/34/50/581133450.db2.gz UTJLUHKNIMJKAC-SNVBAGLBSA-N 2 2 251.334 0.500 20 0 CCADLP C[C@@H](C[NH2+]CCC(=O)NC(N)=O)[NH+]1CCCCC1 ZINC000725842724 581148812 /nfs/dbraw/zinc/14/88/12/581148812.db2.gz SQYDLEMYIKOBKB-JTQLQIEISA-N 2 2 256.350 0.035 20 0 CCADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000776102559 581180139 /nfs/dbraw/zinc/18/01/39/581180139.db2.gz OXILPSUHVVENFL-WDEREUQCSA-N 2 2 253.346 0.065 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000776102559 581180143 /nfs/dbraw/zinc/18/01/43/581180143.db2.gz OXILPSUHVVENFL-WDEREUQCSA-N 2 2 253.346 0.065 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000776102559 581180147 /nfs/dbraw/zinc/18/01/47/581180147.db2.gz OXILPSUHVVENFL-WDEREUQCSA-N 2 2 253.346 0.065 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000776102559 581180150 /nfs/dbraw/zinc/18/01/50/581180150.db2.gz OXILPSUHVVENFL-WDEREUQCSA-N 2 2 253.346 0.065 20 0 CCADLP Cc1cc(NCC(=O)N2CC[NH+](C)CC2)nc(C)[nH+]1 ZINC000780539679 581232512 /nfs/dbraw/zinc/23/25/12/581232512.db2.gz NITYIXIIVAUDIS-UHFFFAOYSA-N 2 2 263.345 0.279 20 0 CCADLP C[C@@H]1COCC[N@H+](CN2C[C@@H](c3c[nH+]cn3C)CC2=O)C1 ZINC000783989234 581369832 /nfs/dbraw/zinc/36/98/32/581369832.db2.gz FQRIIMMAGFBTCY-STQMWFEESA-N 2 2 292.383 0.662 20 0 CCADLP C[C@@H]1COCC[N@@H+](CN2C[C@@H](c3c[nH+]cn3C)CC2=O)C1 ZINC000783989234 581369834 /nfs/dbraw/zinc/36/98/34/581369834.db2.gz FQRIIMMAGFBTCY-STQMWFEESA-N 2 2 292.383 0.662 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)CCO1 ZINC000795312343 581404100 /nfs/dbraw/zinc/40/41/00/581404100.db2.gz WSTXFHFGHBYQJJ-HIFRSBDPSA-N 2 2 281.400 0.261 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)CCO1 ZINC000795312343 581404101 /nfs/dbraw/zinc/40/41/01/581404101.db2.gz WSTXFHFGHBYQJJ-HIFRSBDPSA-N 2 2 281.400 0.261 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)CCO1 ZINC000795312343 581404102 /nfs/dbraw/zinc/40/41/02/581404102.db2.gz WSTXFHFGHBYQJJ-HIFRSBDPSA-N 2 2 281.400 0.261 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)CCO1 ZINC000795312343 581404103 /nfs/dbraw/zinc/40/41/03/581404103.db2.gz WSTXFHFGHBYQJJ-HIFRSBDPSA-N 2 2 281.400 0.261 20 0 CCADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1CC(C)(C)OC1=O ZINC000795654097 581418526 /nfs/dbraw/zinc/41/85/26/581418526.db2.gz SNPURMPZZAJAKK-LBPRGKRZSA-N 2 2 297.399 0.176 20 0 CCADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1CC(C)(C)OC1=O ZINC000795654097 581418527 /nfs/dbraw/zinc/41/85/27/581418527.db2.gz SNPURMPZZAJAKK-LBPRGKRZSA-N 2 2 297.399 0.176 20 0 CCADLP CO[C@H]1C[C@@H]([N@H+](C)CN2C[C@H](c3c[nH+]cn3C)CC2=O)C1 ZINC000795674459 581418812 /nfs/dbraw/zinc/41/88/12/581418812.db2.gz KEMNZISMOPINNR-UPJWGTAASA-N 2 2 292.383 0.803 20 0 CCADLP CO[C@H]1C[C@@H]([N@@H+](C)CN2C[C@H](c3c[nH+]cn3C)CC2=O)C1 ZINC000795674459 581418813 /nfs/dbraw/zinc/41/88/13/581418813.db2.gz KEMNZISMOPINNR-UPJWGTAASA-N 2 2 292.383 0.803 20 0 CCADLP O[C@@H](C[NH2+][C@H]1CCCc2n[nH]cc21)C[NH+]1CCCC1 ZINC000796703005 581448413 /nfs/dbraw/zinc/44/84/13/581448413.db2.gz OUDJAJSKPINQKQ-AAEUAGOBSA-N 2 2 264.373 0.833 20 0 CCADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000796730381 581449040 /nfs/dbraw/zinc/44/90/40/581449040.db2.gz QWJSZKNQKIAPAL-STQMWFEESA-N 2 2 253.390 0.785 20 0 CCADLP CO[C@H]1CC(=O)N(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000787223127 581461077 /nfs/dbraw/zinc/46/10/77/581461077.db2.gz HXVGKWFBJMOXFV-RYUDHWBXSA-N 2 2 278.356 0.414 20 0 CCADLP CO[C@H]1CC(=O)N(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000787223127 581461079 /nfs/dbraw/zinc/46/10/79/581461079.db2.gz HXVGKWFBJMOXFV-RYUDHWBXSA-N 2 2 278.356 0.414 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(F)F)CC2)CC1 ZINC000787273459 581463566 /nfs/dbraw/zinc/46/35/66/581463566.db2.gz WSBCLQPIKYAPFK-UHFFFAOYSA-N 2 2 275.343 0.926 20 0 CCADLP CNC(=O)[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000729542758 581603943 /nfs/dbraw/zinc/60/39/43/581603943.db2.gz SGGOGOCGSZSZDU-CHWSQXEVSA-N 2 2 269.389 0.044 20 0 CCADLP CNC(=O)[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000729542758 581603944 /nfs/dbraw/zinc/60/39/44/581603944.db2.gz SGGOGOCGSZSZDU-CHWSQXEVSA-N 2 2 269.389 0.044 20 0 CCADLP C[C@H](NC(=S)NCC[NH+](C)C)[C@H](C)[NH+]1CCOCC1 ZINC000729646880 581608940 /nfs/dbraw/zinc/60/89/40/581608940.db2.gz DVSYNNQESOFRFD-RYUDHWBXSA-N 2 2 288.461 0.121 20 0 CCADLP CC[N@@H+]1CCCN(C(=O)NCC[NH+]2CCO[C@@H](C)C2)CC1 ZINC000769609866 581697402 /nfs/dbraw/zinc/69/74/02/581697402.db2.gz CTMXAZOSNORKPR-AWEZNQCLSA-N 2 2 298.431 0.444 20 0 CCADLP CC[N@H+]1CCCN(C(=O)NCC[NH+]2CCO[C@@H](C)C2)CC1 ZINC000769609866 581697405 /nfs/dbraw/zinc/69/74/05/581697405.db2.gz CTMXAZOSNORKPR-AWEZNQCLSA-N 2 2 298.431 0.444 20 0 CCADLP CC[NH+]1CCCN(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000769609866 581697410 /nfs/dbraw/zinc/69/74/10/581697410.db2.gz CTMXAZOSNORKPR-AWEZNQCLSA-N 2 2 298.431 0.444 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C1([NH+](C)C)CCC1 ZINC000763022717 581977735 /nfs/dbraw/zinc/97/77/35/581977735.db2.gz GCEVWWNSNHYYNS-LLVKDONJSA-N 2 2 250.346 0.872 20 0 CCADLP CCC[NH+]1CCC([NH2+]C2CN(C(=O)OC)C2)CC1 ZINC000775413543 582023554 /nfs/dbraw/zinc/02/35/54/582023554.db2.gz GBBHRATVXNEXFH-UHFFFAOYSA-N 2 2 255.362 0.901 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)N2CC[C@@H](C[NH+](C)C)C2)CCO1 ZINC000776515443 582075618 /nfs/dbraw/zinc/07/56/18/582075618.db2.gz SUBCLZQNIAQFDS-KGLIPLIRSA-N 2 2 298.431 0.300 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)N2CC[C@@H](C[NH+](C)C)C2)CCO1 ZINC000776515443 582075620 /nfs/dbraw/zinc/07/56/20/582075620.db2.gz SUBCLZQNIAQFDS-KGLIPLIRSA-N 2 2 298.431 0.300 20 0 CCADLP CCO[C@H](C[NH2+]C[C@](C)(O)C(F)(F)F)C[NH+](C)C ZINC000905577726 615484112 /nfs/dbraw/zinc/48/41/12/615484112.db2.gz ABZUWNZZQOIWRN-ZJUUUORDSA-N 2 2 272.311 0.856 20 0 CCADLP CCS(=O)(=O)CC[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000842476209 615539164 /nfs/dbraw/zinc/53/91/64/615539164.db2.gz JDFJSGJPSZEEAU-GFCCVEGCSA-N 2 2 262.419 0.918 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC1CC(C[NH2+]C[C@@H]2CCOC2)C1 ZINC000962896873 649907210 /nfs/dbraw/zinc/90/72/10/649907210.db2.gz VWSMNDPHWAMIPO-HSBZDZAISA-N 2 2 292.383 0.404 20 0 CCADLP C[C@@H]([NH3+])C[N@H+](C)CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000863566883 617175342 /nfs/dbraw/zinc/17/53/42/617175342.db2.gz SBIAXANJMUIQMG-SNVBAGLBSA-N 2 2 278.356 0.393 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+](C)CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000863566883 617175344 /nfs/dbraw/zinc/17/53/44/617175344.db2.gz SBIAXANJMUIQMG-SNVBAGLBSA-N 2 2 278.356 0.393 20 0 CCADLP c1cc(-c2nn[nH]n2)oc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000826514776 608858973 /nfs/dbraw/zinc/85/89/73/608858973.db2.gz CHOXOHNUNMAGCC-IUCAKERBSA-N 2 2 260.301 0.111 20 0 CCADLP CC(C)[NH2+][C@@H](C)[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC000979442201 613965679 /nfs/dbraw/zinc/96/56/79/613965679.db2.gz GEXUZMFPUYFPAD-GXTWGEPZSA-N 2 2 294.399 0.577 20 0 CCADLP CC(C)CN(CC[NH+](C)C)C(=O)Cc1[nH]cc[nH+]1 ZINC000826538911 614079685 /nfs/dbraw/zinc/07/96/85/614079685.db2.gz LEJMYANCAPVBSF-UHFFFAOYSA-N 2 2 252.362 0.998 20 0 CCADLP CC(C)[C@@H](O)CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000878517391 614145056 /nfs/dbraw/zinc/14/50/56/614145056.db2.gz LBUBGFSRFCHKQO-LBPRGKRZSA-N 2 2 252.362 0.939 20 0 CCADLP CC(C)C[C@H](O)C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000817905526 614223577 /nfs/dbraw/zinc/22/35/77/614223577.db2.gz JQCJCXZUXICZLB-MJBXVCDLSA-N 2 2 256.390 0.750 20 0 CCADLP CCC[C@H](O)CC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000925860506 614422345 /nfs/dbraw/zinc/42/23/45/614422345.db2.gz YZYHQMOZHXEEIA-MELADBBJSA-N 2 2 256.390 0.894 20 0 CCADLP CSC[C@H](O)C[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000905519463 617256323 /nfs/dbraw/zinc/25/63/23/617256323.db2.gz UEPCYFMYUDACQB-GFCCVEGCSA-N 2 2 255.387 0.961 20 0 CCADLP COc1ccc(OC)c([C@H](O)C[NH2+]C[C@H](O)C[NH+](C)C)c1 ZINC000843064283 617276101 /nfs/dbraw/zinc/27/61/01/617276101.db2.gz YEFMUVSBZDELHC-SMDDNHRTSA-N 2 2 298.383 0.249 20 0 CCADLP COc1ccccc1[C@H]([NH3+])CNC(=O)C[C@@H]([NH3+])C(F)F ZINC000911663174 617318514 /nfs/dbraw/zinc/31/85/14/617318514.db2.gz CCNIIFPRMYEQRX-NXEZZACHSA-N 2 2 287.310 0.794 20 0 CCADLP C(C[C@H]1CCC2(CCOCC2)CO1)[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925774165 613228960 /nfs/dbraw/zinc/22/89/60/613228960.db2.gz SFVQUISEEFWOMU-LSDHHAIUSA-N 2 2 298.427 0.930 20 0 CCADLP C(COC1CCOCC1)[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000925877817 613229502 /nfs/dbraw/zinc/22/95/02/613229502.db2.gz MHFQDWYJDDUXDO-CABCVRRESA-N 2 2 284.400 0.539 20 0 CCADLP C/C(=C/C(=O)NCCC[NH+](C)C)C[NH+]1CCOCC1 ZINC000899920092 613236077 /nfs/dbraw/zinc/23/60/77/613236077.db2.gz ISJLOBDPKRSJLC-QBFSEMIESA-N 2 2 269.389 0.333 20 0 CCADLP C/C(=C\C(=O)NCC[N@@H+](C)C1CC1)C[NH+]1CCOCC1 ZINC000900366565 613255580 /nfs/dbraw/zinc/25/55/80/613255580.db2.gz CNVYQSDPAAQCIO-ACCUITESSA-N 2 2 281.400 0.475 20 0 CCADLP C/C(=C\C(=O)NCC[N@H+](C)C1CC1)C[NH+]1CCOCC1 ZINC000900366565 613255583 /nfs/dbraw/zinc/25/55/83/613255583.db2.gz CNVYQSDPAAQCIO-ACCUITESSA-N 2 2 281.400 0.475 20 0 CCADLP C/C(=C\C(=O)NCC[N@H+]1CC=CCC1)C[NH+]1CCOCC1 ZINC000907885064 613255921 /nfs/dbraw/zinc/25/59/21/613255921.db2.gz CMRGMBKAPUZQCS-FYWRMAATSA-N 2 2 293.411 0.643 20 0 CCADLP C/C(=C\C(=O)NCC[N@@H+]1CC=CCC1)C[NH+]1CCOCC1 ZINC000907885064 613255924 /nfs/dbraw/zinc/25/59/24/613255924.db2.gz CMRGMBKAPUZQCS-FYWRMAATSA-N 2 2 293.411 0.643 20 0 CCADLP C/C(=C\C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C)C[NH+]1CCOCC1 ZINC000928426458 613258586 /nfs/dbraw/zinc/25/85/86/613258586.db2.gz GBFYBAKEUOTVSL-YVAPMFQZSA-N 2 2 281.400 0.474 20 0 CCADLP C/C(=C\C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C)C[NH+]1CCOCC1 ZINC000928426458 613258589 /nfs/dbraw/zinc/25/85/89/613258589.db2.gz GBFYBAKEUOTVSL-YVAPMFQZSA-N 2 2 281.400 0.474 20 0 CCADLP CC(C)Nc1nc(NC[C@H]2CC[N@@H+]2C)nc(NCCO)[nH+]1 ZINC000895768615 613984151 /nfs/dbraw/zinc/98/41/51/613984151.db2.gz GSHKHPBILUJGMI-SNVBAGLBSA-N 2 2 295.391 0.212 20 0 CCADLP CC(C)Nc1nc(NC[C@H]2CC[N@H+]2C)nc(NCCO)[nH+]1 ZINC000895768615 613984154 /nfs/dbraw/zinc/98/41/54/613984154.db2.gz GSHKHPBILUJGMI-SNVBAGLBSA-N 2 2 295.391 0.212 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C[C@@](C)(O)C(F)F)C1 ZINC000905938039 614098301 /nfs/dbraw/zinc/09/83/01/614098301.db2.gz OCOQRCBNUJWUEP-WCQYABFASA-N 2 2 280.359 0.949 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C[C@@](C)(O)C(F)F)C1 ZINC000905938039 614098303 /nfs/dbraw/zinc/09/83/03/614098303.db2.gz OCOQRCBNUJWUEP-WCQYABFASA-N 2 2 280.359 0.949 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)O)C1 ZINC000871977900 614098466 /nfs/dbraw/zinc/09/84/66/614098466.db2.gz GEHONCQEGSBSNS-KBPBESRZSA-N 2 2 288.432 0.455 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)O)C1 ZINC000871977900 614098468 /nfs/dbraw/zinc/09/84/68/614098468.db2.gz GEHONCQEGSBSNS-KBPBESRZSA-N 2 2 288.432 0.455 20 0 CCADLP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000948739043 614109771 /nfs/dbraw/zinc/10/97/71/614109771.db2.gz WCPZBWLWYSYVRL-AWEZNQCLSA-N 2 2 283.416 0.101 20 0 CCADLP CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000948739043 614109773 /nfs/dbraw/zinc/10/97/73/614109773.db2.gz WCPZBWLWYSYVRL-AWEZNQCLSA-N 2 2 283.416 0.101 20 0 CCADLP CC(C)C[N@@H+]1CC[C@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC000819151826 614113000 /nfs/dbraw/zinc/11/30/00/614113000.db2.gz FNIIIFOLEATJAV-GFCCVEGCSA-N 2 2 262.419 0.599 20 0 CCADLP CC(C)C[N@H+]1CC[C@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC000819151826 614113002 /nfs/dbraw/zinc/11/30/02/614113002.db2.gz FNIIIFOLEATJAV-GFCCVEGCSA-N 2 2 262.419 0.599 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923520568 614139249 /nfs/dbraw/zinc/13/92/49/614139249.db2.gz NCYBVXBQFZAUAE-NWDGAFQWSA-N 2 2 282.388 0.010 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923520568 614139253 /nfs/dbraw/zinc/13/92/53/614139253.db2.gz NCYBVXBQFZAUAE-NWDGAFQWSA-N 2 2 282.388 0.010 20 0 CCADLP CC(C)[C@H](CNC(=[NH2+])N[C@H]1C[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000864451793 614208186 /nfs/dbraw/zinc/20/81/86/614208186.db2.gz YNDUVFXBXPRWSW-IHRRRGAJSA-N 2 2 281.448 0.781 20 0 CCADLP CC(C)[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000960530494 614266422 /nfs/dbraw/zinc/26/64/22/614266422.db2.gz XBLCINIRKVJMRX-KGLIPLIRSA-N 2 2 283.416 0.648 20 0 CCADLP CC(C)[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000960530494 614266424 /nfs/dbraw/zinc/26/64/24/614266424.db2.gz XBLCINIRKVJMRX-KGLIPLIRSA-N 2 2 283.416 0.648 20 0 CCADLP CC(C)[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000960530494 614266426 /nfs/dbraw/zinc/26/64/26/614266426.db2.gz XBLCINIRKVJMRX-KGLIPLIRSA-N 2 2 283.416 0.648 20 0 CCADLP CC(C)[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000960530494 614266429 /nfs/dbraw/zinc/26/64/29/614266429.db2.gz XBLCINIRKVJMRX-KGLIPLIRSA-N 2 2 283.416 0.648 20 0 CCADLP CC(C)=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000969441180 614285487 /nfs/dbraw/zinc/28/54/87/614285487.db2.gz ITMXICANZGXJFQ-HIFRSBDPSA-N 2 2 295.427 0.720 20 0 CCADLP CC(C)=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000969441180 614285490 /nfs/dbraw/zinc/28/54/90/614285490.db2.gz ITMXICANZGXJFQ-HIFRSBDPSA-N 2 2 295.427 0.720 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC000935500327 614339121 /nfs/dbraw/zinc/33/91/21/614339121.db2.gz SGMHWVUHMVLQOZ-UONOGXRCSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC000935500327 614339124 /nfs/dbraw/zinc/33/91/24/614339124.db2.gz SGMHWVUHMVLQOZ-UONOGXRCSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000935500327 614339127 /nfs/dbraw/zinc/33/91/27/614339127.db2.gz SGMHWVUHMVLQOZ-UONOGXRCSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000935500327 614339128 /nfs/dbraw/zinc/33/91/28/614339128.db2.gz SGMHWVUHMVLQOZ-UONOGXRCSA-N 2 2 283.416 0.384 20 0 CCADLP CCC[C@H](O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000824957240 614408761 /nfs/dbraw/zinc/40/87/61/614408761.db2.gz LZSGUAXBRAJJLD-LBPRGKRZSA-N 2 2 259.394 0.147 20 0 CCADLP CCC[C@H](O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000824957240 614408762 /nfs/dbraw/zinc/40/87/62/614408762.db2.gz LZSGUAXBRAJJLD-LBPRGKRZSA-N 2 2 259.394 0.147 20 0 CCADLP CCCCNC(=[NH2+])NCC1([NH+]2CCOCC2)CCOCC1 ZINC000849040516 614417615 /nfs/dbraw/zinc/41/76/15/614417615.db2.gz ZSCMIOSXBTWQNJ-UHFFFAOYSA-N 2 2 298.431 0.782 20 0 CCADLP CCCn1cc(C[NH2+]CCCCN2CC[NH+](C)CC2)nn1 ZINC000865412198 614531029 /nfs/dbraw/zinc/53/10/29/614531029.db2.gz KFOJMLWCSWYVGR-UHFFFAOYSA-N 2 2 294.447 0.805 20 0 CCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000906177397 614653086 /nfs/dbraw/zinc/65/30/86/614653086.db2.gz RZGIRQTVXNTSHH-LSDHHAIUSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000906177397 614653087 /nfs/dbraw/zinc/65/30/87/614653087.db2.gz RZGIRQTVXNTSHH-LSDHHAIUSA-N 2 2 297.443 0.945 20 0 CCADLP CC1(C)C[NH2+]C[C@@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000884206496 614655450 /nfs/dbraw/zinc/65/54/50/614655450.db2.gz WTWCEDMGCBXOCL-GFCCVEGCSA-N 2 2 283.416 0.459 20 0 CCADLP CC1(C)C[NH2+]C[C@@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000884206496 614655452 /nfs/dbraw/zinc/65/54/52/614655452.db2.gz WTWCEDMGCBXOCL-GFCCVEGCSA-N 2 2 283.416 0.459 20 0 CCADLP CCC1(C(=O)NCC[N@H+](C)CCC[NH+](C)C)COC1 ZINC000855414968 614660277 /nfs/dbraw/zinc/66/02/77/614660277.db2.gz OGFRKLIMRQOASP-UHFFFAOYSA-N 2 2 271.405 0.413 20 0 CCADLP CCC1(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)COC1 ZINC000855414968 614660280 /nfs/dbraw/zinc/66/02/80/614660280.db2.gz OGFRKLIMRQOASP-UHFFFAOYSA-N 2 2 271.405 0.413 20 0 CCADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+](C[C@@H](C)OC)C1 ZINC000949796626 614671166 /nfs/dbraw/zinc/67/11/66/614671166.db2.gz LNRUDXKQENXXAQ-TZMCWYRMSA-N 2 2 283.416 0.648 20 0 CCADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)C1C[NH+](C[C@@H](C)OC)C1 ZINC000949796626 614671168 /nfs/dbraw/zinc/67/11/68/614671168.db2.gz LNRUDXKQENXXAQ-TZMCWYRMSA-N 2 2 283.416 0.648 20 0 CCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000906177395 614671771 /nfs/dbraw/zinc/67/17/71/614671771.db2.gz RZGIRQTVXNTSHH-GJZGRUSLSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000906177395 614671774 /nfs/dbraw/zinc/67/17/74/614671774.db2.gz RZGIRQTVXNTSHH-GJZGRUSLSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913445110 614677624 /nfs/dbraw/zinc/67/76/24/614677624.db2.gz LGKUYUUPYYQXOY-KBPBESRZSA-N 2 2 291.399 0.757 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913445110 614677626 /nfs/dbraw/zinc/67/76/26/614677626.db2.gz LGKUYUUPYYQXOY-KBPBESRZSA-N 2 2 291.399 0.757 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905258485 614683876 /nfs/dbraw/zinc/68/38/76/614683876.db2.gz WVMRMTUQNCXHQD-KKUMJFAQSA-N 2 2 286.416 0.353 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905258485 614683879 /nfs/dbraw/zinc/68/38/79/614683879.db2.gz WVMRMTUQNCXHQD-KKUMJFAQSA-N 2 2 286.416 0.353 20 0 CCADLP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1C[NH+](C(C)C)C1 ZINC000950612765 614684150 /nfs/dbraw/zinc/68/41/50/614684150.db2.gz XRBJKXNDEATUGP-TZMCWYRMSA-N 2 2 283.416 0.647 20 0 CCADLP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1C[NH+](C(C)C)C1 ZINC000950612765 614684154 /nfs/dbraw/zinc/68/41/54/614684154.db2.gz XRBJKXNDEATUGP-TZMCWYRMSA-N 2 2 283.416 0.647 20 0 CCADLP CC1(C)CNC(=O)[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000895322530 614696562 /nfs/dbraw/zinc/69/65/62/614696562.db2.gz UQCCHGQBVYSLKS-ZIAGYGMSSA-N 2 2 295.427 0.744 20 0 CCADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903920967 614704128 /nfs/dbraw/zinc/70/41/28/614704128.db2.gz YWUNZUSLZMDTEG-TZMCWYRMSA-N 3 2 292.431 0.680 20 0 CCADLP CC1(C)C[NH2+]C[C@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000884405682 614708405 /nfs/dbraw/zinc/70/84/05/614708405.db2.gz ZUXMBICQNMRUIX-STQMWFEESA-N 2 2 281.400 0.165 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870881562 614718713 /nfs/dbraw/zinc/71/87/13/614718713.db2.gz ZQPHWHIKNYCOKH-JOCQHMNTSA-N 2 2 283.416 0.731 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870881562 614718716 /nfs/dbraw/zinc/71/87/16/614718716.db2.gz ZQPHWHIKNYCOKH-JOCQHMNTSA-N 2 2 283.416 0.731 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2CCO[C@@H](C)C2)C1 ZINC000853607737 614752808 /nfs/dbraw/zinc/75/28/08/614752808.db2.gz UMJTYGTVCUTMET-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)NCC[NH+]2CCO[C@@H](C)C2)C1 ZINC000853607737 614752809 /nfs/dbraw/zinc/75/28/09/614752809.db2.gz UMJTYGTVCUTMET-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[NH+]1CC[C@H](NC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000853607737 614752811 /nfs/dbraw/zinc/75/28/11/614752811.db2.gz UMJTYGTVCUTMET-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[NH+]1CC[C@H](NC(=O)NCC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000853607737 614752814 /nfs/dbraw/zinc/75/28/14/614752814.db2.gz UMJTYGTVCUTMET-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1CNC(=O)NC ZINC000879338574 614851367 /nfs/dbraw/zinc/85/13/67/614851367.db2.gz WSDXALRHXDMFKD-QWHCGFSZSA-N 2 2 286.420 0.083 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1CNC(=O)NC ZINC000879338574 614851369 /nfs/dbraw/zinc/85/13/69/614851369.db2.gz WSDXALRHXDMFKD-QWHCGFSZSA-N 2 2 286.420 0.083 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@H]1CNC(=O)NC ZINC000879338574 614851370 /nfs/dbraw/zinc/85/13/70/614851370.db2.gz WSDXALRHXDMFKD-QWHCGFSZSA-N 2 2 286.420 0.083 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@H]1CNC(=O)NC ZINC000879338574 614851371 /nfs/dbraw/zinc/85/13/71/614851371.db2.gz WSDXALRHXDMFKD-QWHCGFSZSA-N 2 2 286.420 0.083 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000846867724 614866329 /nfs/dbraw/zinc/86/63/29/614866329.db2.gz JPSSZUCRCXSVGA-KBPBESRZSA-N 2 2 296.415 0.468 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000846867724 614866330 /nfs/dbraw/zinc/86/63/30/614866330.db2.gz JPSSZUCRCXSVGA-KBPBESRZSA-N 2 2 296.415 0.468 20 0 CCADLP CC[N@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000972040762 614906009 /nfs/dbraw/zinc/90/60/09/614906009.db2.gz UOQAAUUWMNNFAE-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP CC[N@@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000972040762 614906012 /nfs/dbraw/zinc/90/60/12/614906012.db2.gz UOQAAUUWMNNFAE-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP CC1([NH+]2CCCC2)CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000870256905 614913326 /nfs/dbraw/zinc/91/33/26/614913326.db2.gz BIBIMEDTSJVOBK-CYBMUJFWSA-N 2 2 292.383 0.920 20 0 CCADLP CCCOC(=O)[C@@H](C)[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000843377079 614929586 /nfs/dbraw/zinc/92/95/86/614929586.db2.gz OEAPUDPVPSGQMG-CHWSQXEVSA-N 2 2 299.415 0.648 20 0 CCADLP CCCOC(=O)[C@@H](C)[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000843377079 614929588 /nfs/dbraw/zinc/92/95/88/614929588.db2.gz OEAPUDPVPSGQMG-CHWSQXEVSA-N 2 2 299.415 0.648 20 0 CCADLP CCN(CC)C(=O)CCC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925597853 614963874 /nfs/dbraw/zinc/96/38/74/614963874.db2.gz OOHRIFMOTOFTGR-GFCCVEGCSA-N 2 2 257.378 0.213 20 0 CCADLP CC1=CC[N@H+](CCNC(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000867417632 614970254 /nfs/dbraw/zinc/97/02/54/614970254.db2.gz CLWMJMHIARKWHS-IHWYPQMZSA-N 2 2 293.411 0.643 20 0 CCADLP CC1=CC[N@@H+](CCNC(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000867417632 614970257 /nfs/dbraw/zinc/97/02/57/614970257.db2.gz CLWMJMHIARKWHS-IHWYPQMZSA-N 2 2 293.411 0.643 20 0 CCADLP CCN(OC)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000895115148 615075646 /nfs/dbraw/zinc/07/56/46/615075646.db2.gz HMQQWJXZBULUSP-YOGCLGLASA-N 2 2 255.362 0.611 20 0 CCADLP CCN(OC)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000895115148 615075648 /nfs/dbraw/zinc/07/56/48/615075648.db2.gz HMQQWJXZBULUSP-YOGCLGLASA-N 2 2 255.362 0.611 20 0 CCADLP CCN(OC)C(=O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000842768668 615076527 /nfs/dbraw/zinc/07/65/27/615076527.db2.gz CXCPDCOADHGDGZ-RYUDHWBXSA-N 2 2 255.362 0.613 20 0 CCADLP CCN(OC)C(=O)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000842768668 615076529 /nfs/dbraw/zinc/07/65/29/615076529.db2.gz CXCPDCOADHGDGZ-RYUDHWBXSA-N 2 2 255.362 0.613 20 0 CCADLP CCN1C(=O)[C@H]2C[N@H+](CCC[NH2+]C3CC3)CCN2C1=O ZINC000923315010 615080305 /nfs/dbraw/zinc/08/03/05/615080305.db2.gz QCMDMZMNICNGAG-GFCCVEGCSA-N 2 2 280.372 0.097 20 0 CCADLP CCN1C(=O)[C@H]2C[N@@H+](CCC[NH2+]C3CC3)CCN2C1=O ZINC000923315010 615080306 /nfs/dbraw/zinc/08/03/06/615080306.db2.gz QCMDMZMNICNGAG-GFCCVEGCSA-N 2 2 280.372 0.097 20 0 CCADLP CCN(C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)C1C[NH+](CC)C1 ZINC000951365200 615081827 /nfs/dbraw/zinc/08/18/27/615081827.db2.gz IYZILKICIWRVAV-AWEZNQCLSA-N 2 2 283.416 0.648 20 0 CCADLP CCN(C(=O)[C@@H]1C[N@H+](C(C)C)CCO1)C1C[NH+](CC)C1 ZINC000951365200 615081828 /nfs/dbraw/zinc/08/18/28/615081828.db2.gz IYZILKICIWRVAV-AWEZNQCLSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH2+]CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000911861079 615084780 /nfs/dbraw/zinc/08/47/80/615084780.db2.gz CKOQSQLHIWCIIH-UHFFFAOYSA-N 2 2 250.346 0.800 20 0 CCADLP CC[NH2+]CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000911687516 615085713 /nfs/dbraw/zinc/08/57/13/615085713.db2.gz HUNKMKRVTWSFAR-NSHDSACASA-N 2 2 250.346 0.561 20 0 CCADLP CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000969994844 615094553 /nfs/dbraw/zinc/09/45/53/615094553.db2.gz AOJPXXVJDMUTNN-NWDGAFQWSA-N 2 2 276.384 0.902 20 0 CCADLP CC[NH2+][C@@H](C)[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CCO1 ZINC000979448607 615111536 /nfs/dbraw/zinc/11/15/36/615111536.db2.gz QQLRCXPACDFLTG-WCQYABFASA-N 2 2 280.372 0.486 20 0 CCADLP CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CCc2[nH+]ccn2C)CCO1 ZINC000979371818 615111679 /nfs/dbraw/zinc/11/16/79/615111679.db2.gz LQISRITWNVHRIJ-QWHCGFSZSA-N 2 2 294.399 0.578 20 0 CCADLP CC[NH2+][C@H](C)[C@H]1CN(C(=O)CCc2[nH+]ccn2C)CCO1 ZINC000979371814 615131188 /nfs/dbraw/zinc/13/11/88/615131188.db2.gz LQISRITWNVHRIJ-CHWSQXEVSA-N 2 2 294.399 0.578 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccnn2C)CC1 ZINC000879683978 615150964 /nfs/dbraw/zinc/15/09/64/615150964.db2.gz DCEQCNKAWOAZIO-CHWSQXEVSA-N 2 2 293.415 0.623 20 0 CCADLP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925549376 615161986 /nfs/dbraw/zinc/16/19/86/615161986.db2.gz XZBVGKOPQGYUOC-GJZGRUSLSA-N 3 2 280.460 0.887 20 0 CCADLP CCOC(=O)CC(C)(C)C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000838916049 615170515 /nfs/dbraw/zinc/17/05/15/615170515.db2.gz RDLMTPPTNLLTLU-UHFFFAOYSA-N 2 2 299.415 0.329 20 0 CCADLP CCOC(=O)C[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903751732 615190574 /nfs/dbraw/zinc/19/05/74/615190574.db2.gz IRAOCDBSKXUSDE-DZGCQCFKSA-N 2 2 282.384 0.783 20 0 CCADLP CCOC(=O)C[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903751732 615190576 /nfs/dbraw/zinc/19/05/76/615190576.db2.gz IRAOCDBSKXUSDE-DZGCQCFKSA-N 2 2 282.384 0.783 20 0 CCADLP CCOC(C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)OCC ZINC000852707787 615202987 /nfs/dbraw/zinc/20/29/87/615202987.db2.gz KVBXXIXNKFMZTE-CQSZACIVSA-N 2 2 286.416 0.917 20 0 CCADLP CCOC(C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)OCC ZINC000852707787 615202990 /nfs/dbraw/zinc/20/29/90/615202990.db2.gz KVBXXIXNKFMZTE-CQSZACIVSA-N 2 2 286.416 0.917 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1C[C@@H](C)OC[C@@H]1C ZINC000890058527 615249177 /nfs/dbraw/zinc/24/91/77/615249177.db2.gz ZSPAAKCFZCPCJU-BFHYXJOUSA-N 2 2 298.431 0.489 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1C[C@@H](C)OC[C@@H]1C ZINC000890058527 615249178 /nfs/dbraw/zinc/24/91/78/615249178.db2.gz ZSPAAKCFZCPCJU-BFHYXJOUSA-N 2 2 298.431 0.489 20 0 CCADLP CC[NH+]1CC[C@@H]1CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000890058527 615249180 /nfs/dbraw/zinc/24/91/80/615249180.db2.gz ZSPAAKCFZCPCJU-BFHYXJOUSA-N 2 2 298.431 0.489 20 0 CCADLP CC[NH+]1CC[C@@H]1CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000890058527 615249181 /nfs/dbraw/zinc/24/91/81/615249181.db2.gz ZSPAAKCFZCPCJU-BFHYXJOUSA-N 2 2 298.431 0.489 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000883144358 615254236 /nfs/dbraw/zinc/25/42/36/615254236.db2.gz MJOBIDFNBPPFPE-VXGBXAGGSA-N 2 2 265.361 0.665 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000883144358 615254238 /nfs/dbraw/zinc/25/42/38/615254238.db2.gz MJOBIDFNBPPFPE-VXGBXAGGSA-N 2 2 265.361 0.665 20 0 CCADLP CC[N@@H+]1CC[C@H](CNC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000864961920 615271078 /nfs/dbraw/zinc/27/10/78/615271078.db2.gz GKHQIKVRTGWJNI-VQTKUKTRSA-N 2 2 281.400 0.333 20 0 CCADLP CC[N@H+]1CC[C@H](CNC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000864961920 615271081 /nfs/dbraw/zinc/27/10/81/615271081.db2.gz GKHQIKVRTGWJNI-VQTKUKTRSA-N 2 2 281.400 0.333 20 0 CCADLP CCN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)[C@H]1CC[N@H+](CC)C1 ZINC000869249082 615273632 /nfs/dbraw/zinc/27/36/32/615273632.db2.gz YBDMWVNDBLQJLU-JQWIXIFHSA-N 2 2 266.345 0.386 20 0 CCADLP CCN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CC)C1 ZINC000869249082 615273635 /nfs/dbraw/zinc/27/36/35/615273635.db2.gz YBDMWVNDBLQJLU-JQWIXIFHSA-N 2 2 266.345 0.386 20 0 CCADLP CCOCC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931721501 615299334 /nfs/dbraw/zinc/29/93/34/615299334.db2.gz QEAUKAZDQQUAGS-HZSPNIEDSA-N 2 2 256.390 0.942 20 0 CCADLP CCOCC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931721501 615299335 /nfs/dbraw/zinc/29/93/35/615299335.db2.gz QEAUKAZDQQUAGS-HZSPNIEDSA-N 2 2 256.390 0.942 20 0 CCADLP CCOCC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931721501 615299337 /nfs/dbraw/zinc/29/93/37/615299337.db2.gz QEAUKAZDQQUAGS-HZSPNIEDSA-N 2 2 256.390 0.942 20 0 CCADLP CCOCC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931721501 615299339 /nfs/dbraw/zinc/29/93/39/615299339.db2.gz QEAUKAZDQQUAGS-HZSPNIEDSA-N 2 2 256.390 0.942 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000863546625 615326712 /nfs/dbraw/zinc/32/67/12/615326712.db2.gz LUSYEZFGZJHFFR-WHOHXGKFSA-N 2 2 255.362 0.010 20 0 CCADLP CCN1C[C@@H](C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)OC1=O ZINC000846918469 615344936 /nfs/dbraw/zinc/34/49/36/615344936.db2.gz KDYAOLLCAQYDRI-OCCSQVGLSA-N 2 2 267.373 0.855 20 0 CCADLP CCN1C[C@@H](C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)OC1=O ZINC000846918469 615344938 /nfs/dbraw/zinc/34/49/38/615344938.db2.gz KDYAOLLCAQYDRI-OCCSQVGLSA-N 2 2 267.373 0.855 20 0 CCADLP CCN1C[C@@H](C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)OC1=O ZINC000846918469 615344940 /nfs/dbraw/zinc/34/49/40/615344940.db2.gz KDYAOLLCAQYDRI-OCCSQVGLSA-N 2 2 267.373 0.855 20 0 CCADLP CCN1C[C@@H](C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)OC1=O ZINC000846918469 615344942 /nfs/dbraw/zinc/34/49/42/615344942.db2.gz KDYAOLLCAQYDRI-OCCSQVGLSA-N 2 2 267.373 0.855 20 0 CCADLP CC[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1CO)[NH+](CC)CC ZINC000912744574 615371098 /nfs/dbraw/zinc/37/10/98/615371098.db2.gz XCZOHRKVZYZYLO-OLZOCXBDSA-N 2 2 271.405 0.242 20 0 CCADLP CC[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1CO)[NH+](CC)CC ZINC000912744574 615371102 /nfs/dbraw/zinc/37/11/02/615371102.db2.gz XCZOHRKVZYZYLO-OLZOCXBDSA-N 2 2 271.405 0.242 20 0 CCADLP CCO[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)C[NH+](C)C ZINC000831730729 615408650 /nfs/dbraw/zinc/40/86/50/615408650.db2.gz HMWUSKDCVNQJDT-JSGCOSHPSA-N 2 2 294.399 0.528 20 0 CCADLP CCNC(=[NH2+])NCC1([NH+]2CCOCC2)CCOCC1 ZINC000849040494 615451692 /nfs/dbraw/zinc/45/16/92/615451692.db2.gz YNAFDTDFDLAAAR-UHFFFAOYSA-N 2 2 270.377 0.002 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000928640092 615479209 /nfs/dbraw/zinc/47/92/09/615479209.db2.gz JUJPNTJHSBGCOK-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000928640092 615479210 /nfs/dbraw/zinc/47/92/10/615479210.db2.gz JUJPNTJHSBGCOK-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP CCO[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C[NH+](C)C ZINC000831707783 615480783 /nfs/dbraw/zinc/48/07/83/615480783.db2.gz LZZVLFDOKNCIND-CHWSQXEVSA-N 2 2 282.388 0.917 20 0 CCADLP CCO[C@H](CNc1[nH+]cnc2c1cnn2C)C[NH+](C)C ZINC000896114558 615484775 /nfs/dbraw/zinc/48/47/75/615484775.db2.gz AHRCSRCQEACCPT-SNVBAGLBSA-N 2 2 278.360 0.742 20 0 CCADLP CCS(=O)(=O)CC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000842474074 615533952 /nfs/dbraw/zinc/53/39/52/615533952.db2.gz DBESNRBIEUFQHV-STQMWFEESA-N 2 2 274.430 0.885 20 0 CCADLP CCS(=O)(=O)CC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000842474074 615533954 /nfs/dbraw/zinc/53/39/54/615533954.db2.gz DBESNRBIEUFQHV-STQMWFEESA-N 2 2 274.430 0.885 20 0 CCADLP CCS(=O)(=O)CC[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000843388752 615534765 /nfs/dbraw/zinc/53/47/65/615534765.db2.gz XFAKXWMFQZSUEY-GFCCVEGCSA-N 2 2 290.429 0.108 20 0 CCADLP CCS(=O)(=O)CC[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000843388752 615534766 /nfs/dbraw/zinc/53/47/66/615534766.db2.gz XFAKXWMFQZSUEY-GFCCVEGCSA-N 2 2 290.429 0.108 20 0 CCADLP CCS(=O)(=O)CC[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000842476210 615538573 /nfs/dbraw/zinc/53/85/73/615538573.db2.gz JDFJSGJPSZEEAU-LBPRGKRZSA-N 2 2 262.419 0.918 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000877432384 615568074 /nfs/dbraw/zinc/56/80/74/615568074.db2.gz COXJVVICAWAGCZ-UPJWGTAASA-N 2 2 287.379 0.161 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000877432384 615568075 /nfs/dbraw/zinc/56/80/75/615568075.db2.gz COXJVVICAWAGCZ-UPJWGTAASA-N 2 2 287.379 0.161 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000877433690 615568422 /nfs/dbraw/zinc/56/84/22/615568422.db2.gz HHRNBBKMHPXSFB-OLZOCXBDSA-N 2 2 283.416 0.602 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000877433690 615568423 /nfs/dbraw/zinc/56/84/23/615568423.db2.gz HHRNBBKMHPXSFB-OLZOCXBDSA-N 2 2 283.416 0.602 20 0 CCADLP CC[C@@H]1C[C@H]1C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000931487650 615578624 /nfs/dbraw/zinc/57/86/24/615578624.db2.gz FLRIQMJPPKAOBM-OLZOCXBDSA-N 2 2 253.390 0.738 20 0 CCADLP CC[C@@H]1C[C@H]1C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000931487650 615578625 /nfs/dbraw/zinc/57/86/25/615578625.db2.gz FLRIQMJPPKAOBM-OLZOCXBDSA-N 2 2 253.390 0.738 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N(CC)C2C[NH+](CCO)C2)CC[N@@H+]1C ZINC000950370968 615584137 /nfs/dbraw/zinc/58/41/37/615584137.db2.gz INXAUOKPLFYAIJ-UONOGXRCSA-N 2 2 283.416 0.242 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N(CC)C2C[NH+](CCO)C2)CC[N@H+]1C ZINC000950370968 615584138 /nfs/dbraw/zinc/58/41/38/615584138.db2.gz INXAUOKPLFYAIJ-UONOGXRCSA-N 2 2 283.416 0.242 20 0 CCADLP CC[C@H](C(=O)N1CC[NH+](C[C@@H](C)OC)CC1)[NH+](C)C ZINC000957356333 615601053 /nfs/dbraw/zinc/60/10/53/615601053.db2.gz NCCMGUDVZBGRQS-CHWSQXEVSA-N 2 2 271.405 0.506 20 0 CCADLP CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2nc(C)no2)C1)[NH+](C)C ZINC000969074775 615602814 /nfs/dbraw/zinc/60/28/14/615602814.db2.gz RSESHWPWJVMIFD-VXGBXAGGSA-N 2 2 295.387 0.409 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CC[N@@H+]1C ZINC000925434120 615716801 /nfs/dbraw/zinc/71/68/01/615716801.db2.gz YOGJQHCFDRSEIE-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CC[N@H+]1C ZINC000925434120 615716803 /nfs/dbraw/zinc/71/68/03/615716803.db2.gz YOGJQHCFDRSEIE-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](C)[NH+](C)C ZINC000922742640 615717166 /nfs/dbraw/zinc/71/71/66/615717166.db2.gz JNPFIIQTGOHDTK-QWHCGFSZSA-N 2 2 286.420 0.347 20 0 CCADLP CCc1ncc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)cn1 ZINC000926073422 615775262 /nfs/dbraw/zinc/77/52/62/615775262.db2.gz AMBBOCCIODAUMF-UHFFFAOYSA-N 2 2 292.387 0.584 20 0 CCADLP C[NH+](C)C1(C(=O)N2CC[C@@H]([NH2+]Cc3cnon3)C2)CCC1 ZINC000968907650 615840824 /nfs/dbraw/zinc/84/08/24/615840824.db2.gz QKEHZAGBRWDMSM-LLVKDONJSA-N 2 2 293.371 0.244 20 0 CCADLP Cn1nnnc1CC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931355223 615846145 /nfs/dbraw/zinc/84/61/45/615846145.db2.gz QLPBPHYJLAWXED-UHFFFAOYSA-N 2 2 252.366 0.169 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NCC1([NH+](C)C)CC1 ZINC000922516327 615849385 /nfs/dbraw/zinc/84/93/85/615849385.db2.gz WSVKSIQRQNQWGO-UHFFFAOYSA-N 2 2 251.334 0.314 20 0 CCADLP CN(CC(C)(C)C[NH+](C)C)C(=O)Cc1c[nH+]c[nH]1 ZINC000890878904 615866534 /nfs/dbraw/zinc/86/65/34/615866534.db2.gz KXAACVXAKDZWTM-UHFFFAOYSA-N 2 2 252.362 0.998 20 0 CCADLP CN(C(=O)[C@H](O)c1c[nH+]c[nH]1)C(C)(C)C[NH+]1CCCC1 ZINC000868899068 615874429 /nfs/dbraw/zinc/87/44/29/615874429.db2.gz GLZXFXCSFTUZIZ-GFCCVEGCSA-N 2 2 280.372 0.776 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)/C=C\[C@H]1CCCO1 ZINC000855417767 615878945 /nfs/dbraw/zinc/87/89/45/615878945.db2.gz OOLOUDJNVLDEGZ-WBTMPAOCSA-N 2 2 283.416 0.721 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)/C=C\[C@H]1CCCO1 ZINC000855417767 615878948 /nfs/dbraw/zinc/87/89/48/615878948.db2.gz OOLOUDJNVLDEGZ-WBTMPAOCSA-N 2 2 283.416 0.721 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCn1cc(COC(N)=O)nn1 ZINC000899730072 615880221 /nfs/dbraw/zinc/88/02/21/615880221.db2.gz FLSXERLGFAZSLB-UHFFFAOYSA-N 2 2 284.364 0.171 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCn1cc(COC(N)=O)nn1 ZINC000899730072 615880223 /nfs/dbraw/zinc/88/02/23/615880223.db2.gz FLSXERLGFAZSLB-UHFFFAOYSA-N 2 2 284.364 0.171 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@H]2CC3(CCC3)C(=O)O2)C1 ZINC000878867031 615937419 /nfs/dbraw/zinc/93/74/19/615937419.db2.gz ZGMWWUOOLVWRKS-CJNGLKHVSA-N 2 2 296.411 0.861 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@H]2CC3(CCC3)C(=O)O2)C1 ZINC000878867031 615937420 /nfs/dbraw/zinc/93/74/20/615937420.db2.gz ZGMWWUOOLVWRKS-CJNGLKHVSA-N 2 2 296.411 0.861 20 0 CCADLP C[NH+](C)Cc1ccoc1C(=O)N1CCC[N@H+](CCO)CC1 ZINC000981836290 615956714 /nfs/dbraw/zinc/95/67/14/615956714.db2.gz FVOQYZCUUIABDX-UHFFFAOYSA-N 2 2 295.383 0.481 20 0 CCADLP C[NH+](C)Cc1ccoc1C(=O)N1CCC[N@@H+](CCO)CC1 ZINC000981836290 615956716 /nfs/dbraw/zinc/95/67/16/615956716.db2.gz FVOQYZCUUIABDX-UHFFFAOYSA-N 2 2 295.383 0.481 20 0 CCADLP CN(C)S(=O)(=O)CC[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874126 615964058 /nfs/dbraw/zinc/96/40/58/615964058.db2.gz HBVBIXNOIVADCZ-ZDUSSCGKSA-N 2 2 289.445 0.343 20 0 CCADLP CN(C)S(=O)(=O)CC[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874126 615964059 /nfs/dbraw/zinc/96/40/59/615964059.db2.gz HBVBIXNOIVADCZ-ZDUSSCGKSA-N 2 2 289.445 0.343 20 0 CCADLP CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)O1 ZINC000925629875 616000966 /nfs/dbraw/zinc/00/09/66/616000966.db2.gz MCVRQFJNQOGFPC-AVGNSLFASA-N 2 2 281.400 0.496 20 0 CCADLP CCn1cc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)cn1 ZINC000905004600 616005869 /nfs/dbraw/zinc/00/58/69/616005869.db2.gz OWIPXMDBRLRNQV-UHFFFAOYSA-N 2 2 280.376 0.448 20 0 CCADLP CN(C)c1cc(NC(=O)C2C[NH+]([C@H]3CCOC3)C2)cc[nH+]1 ZINC000896838672 616008506 /nfs/dbraw/zinc/00/85/06/616008506.db2.gz RYLIIPXONUIZRD-ZDUSSCGKSA-N 2 2 290.367 0.807 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)C[NH+]2CCCC2)n1C ZINC000874464909 616035974 /nfs/dbraw/zinc/03/59/74/616035974.db2.gz NNKYQHLVQZHQOW-UHFFFAOYSA-N 2 2 265.361 0.198 20 0 CCADLP CN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000635973503 616042116 /nfs/dbraw/zinc/04/21/16/616042116.db2.gz NLJNFTQOGWFPMR-KBPBESRZSA-N 2 2 297.443 0.896 20 0 CCADLP CN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]1CC[NH+]2CCO[C@H]1C2 ZINC000635973503 616042118 /nfs/dbraw/zinc/04/21/18/616042118.db2.gz NLJNFTQOGWFPMR-KBPBESRZSA-N 2 2 297.443 0.896 20 0 CCADLP CN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1CC[NH+]2CCO[C@H]1C2 ZINC000635973503 616042119 /nfs/dbraw/zinc/04/21/19/616042119.db2.gz NLJNFTQOGWFPMR-KBPBESRZSA-N 2 2 297.443 0.896 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876895236 616076678 /nfs/dbraw/zinc/07/66/78/616076678.db2.gz XLCCQIRIBZHNKF-UWVGGRQHSA-N 2 2 272.299 0.572 20 0 CCADLP C[N@H+](CCF)[C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000971811656 616081084 /nfs/dbraw/zinc/08/10/84/616081084.db2.gz SPLGTIBCMSZUNK-OLZOCXBDSA-N 2 2 294.374 0.948 20 0 CCADLP C[N@@H+](CCF)[C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000971811656 616081085 /nfs/dbraw/zinc/08/10/85/616081085.db2.gz SPLGTIBCMSZUNK-OLZOCXBDSA-N 2 2 294.374 0.948 20 0 CCADLP C[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C1CCCC1 ZINC000826565628 616091677 /nfs/dbraw/zinc/09/16/77/616091677.db2.gz PUFYGVAXBIAFQI-UHFFFAOYSA-N 2 2 250.346 0.943 20 0 CCADLP C[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C1CCCC1 ZINC000826565628 616091678 /nfs/dbraw/zinc/09/16/78/616091678.db2.gz PUFYGVAXBIAFQI-UHFFFAOYSA-N 2 2 250.346 0.943 20 0 CCADLP CN(C(=O)NCC[NH+](C)C1CC1)[C@@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000454640583 616092141 /nfs/dbraw/zinc/09/21/41/616092141.db2.gz KLBPNZKSCUYUQU-KGLIPLIRSA-N 2 2 296.415 0.195 20 0 CCADLP CN(C(=O)NCC[NH+](C)C1CC1)[C@@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000454640583 616092142 /nfs/dbraw/zinc/09/21/42/616092142.db2.gz KLBPNZKSCUYUQU-KGLIPLIRSA-N 2 2 296.415 0.195 20 0 CCADLP CN(C(=O)NCC[N@H+](C)C1CC1)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000454640583 616092143 /nfs/dbraw/zinc/09/21/43/616092143.db2.gz KLBPNZKSCUYUQU-KGLIPLIRSA-N 2 2 296.415 0.195 20 0 CCADLP CN(C(=O)NCC[N@@H+](C)C1CC1)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000454640583 616092145 /nfs/dbraw/zinc/09/21/45/616092145.db2.gz KLBPNZKSCUYUQU-KGLIPLIRSA-N 2 2 296.415 0.195 20 0 CCADLP Cn1c2ccccc2[nH+]c1NCC[N@H+](C)CCOCCO ZINC000882951669 616097732 /nfs/dbraw/zinc/09/77/32/616097732.db2.gz PSOIGUYECDSARB-UHFFFAOYSA-N 2 2 292.383 0.926 20 0 CCADLP Cn1c2ccccc2[nH+]c1NCC[N@@H+](C)CCOCCO ZINC000882951669 616097733 /nfs/dbraw/zinc/09/77/33/616097733.db2.gz PSOIGUYECDSARB-UHFFFAOYSA-N 2 2 292.383 0.926 20 0 CCADLP C[N@@H+](Cc1ncc[nH]1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903777761 616105908 /nfs/dbraw/zinc/10/59/08/616105908.db2.gz DNFHZUSFYPCUSU-YPMHNXCESA-N 2 2 250.346 0.610 20 0 CCADLP C[N@H+](Cc1ncc[nH]1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903777761 616105909 /nfs/dbraw/zinc/10/59/09/616105909.db2.gz DNFHZUSFYPCUSU-YPMHNXCESA-N 2 2 250.346 0.610 20 0 CCADLP C[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000843358731 616144124 /nfs/dbraw/zinc/14/41/24/616144124.db2.gz XERXRHVVOIFZMN-NXEZZACHSA-N 2 2 279.306 0.691 20 0 CCADLP C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000843358731 616144125 /nfs/dbraw/zinc/14/41/25/616144125.db2.gz XERXRHVVOIFZMN-NXEZZACHSA-N 2 2 279.306 0.691 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]CCOc1cccnc1)C1CC1 ZINC000819070295 616149459 /nfs/dbraw/zinc/14/94/59/616149459.db2.gz YRWGFPCSIHDYHT-CYBMUJFWSA-N 2 2 265.357 0.505 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]CCOc1cccnc1)C1CC1 ZINC000819070295 616149460 /nfs/dbraw/zinc/14/94/60/616149460.db2.gz YRWGFPCSIHDYHT-CYBMUJFWSA-N 2 2 265.357 0.505 20 0 CCADLP Cn1c[nH+]cc1CCOC(=O)COC1CC[NH+](C)CC1 ZINC000923787363 616175836 /nfs/dbraw/zinc/17/58/36/616175836.db2.gz HLBOYKJYRCOFLK-UHFFFAOYSA-N 2 2 281.356 0.617 20 0 CCADLP C[NH+]1CCC(ONC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000846650204 616176099 /nfs/dbraw/zinc/17/60/99/616176099.db2.gz SXHQBUZHQRYQTI-NSHDSACASA-N 2 2 278.356 0.588 20 0 CCADLP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC000900724759 616189220 /nfs/dbraw/zinc/18/92/20/616189220.db2.gz CLTVWSNGJKOONF-CQSZACIVSA-N 2 2 291.399 0.191 20 0 CCADLP C[N@H+]1CCC[C@@H](N2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC000900724759 616189221 /nfs/dbraw/zinc/18/92/21/616189221.db2.gz CLTVWSNGJKOONF-CQSZACIVSA-N 2 2 291.399 0.191 20 0 CCADLP C[N@@H+]1CCC[C@@H](NC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000865184229 616189394 /nfs/dbraw/zinc/18/93/94/616189394.db2.gz PSTFMDZUNNCPSX-HSBHDXMMSA-N 2 2 267.373 0.085 20 0 CCADLP C[N@H+]1CCC[C@@H](NC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000865184229 616189395 /nfs/dbraw/zinc/18/93/95/616189395.db2.gz PSTFMDZUNNCPSX-HSBHDXMMSA-N 2 2 267.373 0.085 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903782665 616199555 /nfs/dbraw/zinc/19/95/55/616199555.db2.gz QCHAROTUFIABOC-QXSJWSMHSA-N 3 2 279.428 0.924 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903782665 616199556 /nfs/dbraw/zinc/19/95/56/616199556.db2.gz QCHAROTUFIABOC-QXSJWSMHSA-N 3 2 279.428 0.924 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903782665 616199557 /nfs/dbraw/zinc/19/95/57/616199557.db2.gz QCHAROTUFIABOC-QXSJWSMHSA-N 3 2 279.428 0.924 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903782665 616199558 /nfs/dbraw/zinc/19/95/58/616199558.db2.gz QCHAROTUFIABOC-QXSJWSMHSA-N 3 2 279.428 0.924 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000894912507 616200088 /nfs/dbraw/zinc/20/00/88/616200088.db2.gz DTXCZOSOGLZMAV-CHWSQXEVSA-N 2 2 277.372 0.798 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000894912507 616200089 /nfs/dbraw/zinc/20/00/89/616200089.db2.gz DTXCZOSOGLZMAV-CHWSQXEVSA-N 2 2 277.372 0.798 20 0 CCADLP C[N@@H+]1CCC[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000909915362 616204224 /nfs/dbraw/zinc/20/42/24/616204224.db2.gz WKOXRYGTGFPRES-LLVKDONJSA-N 2 2 250.346 0.800 20 0 CCADLP C[N@H+]1CCC[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000909915362 616204225 /nfs/dbraw/zinc/20/42/25/616204225.db2.gz WKOXRYGTGFPRES-LLVKDONJSA-N 2 2 250.346 0.800 20 0 CCADLP CN(C(=O)N[C@H]1CCC[NH+](C)C1)[C@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000652418120 616207142 /nfs/dbraw/zinc/20/71/42/616207142.db2.gz SLSJTDIMKYCCBZ-IHRRRGAJSA-N 2 2 296.415 0.195 20 0 CCADLP CN(C(=O)N[C@H]1CCC[NH+](C)C1)[C@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000652418120 616207143 /nfs/dbraw/zinc/20/71/43/616207143.db2.gz SLSJTDIMKYCCBZ-IHRRRGAJSA-N 2 2 296.415 0.195 20 0 CCADLP CN(C(=O)N[C@H]1CCC[N@@H+](C)C1)[C@H]1CC[NH+]2CCO[C@H]1C2 ZINC000652418120 616207145 /nfs/dbraw/zinc/20/71/45/616207145.db2.gz SLSJTDIMKYCCBZ-IHRRRGAJSA-N 2 2 296.415 0.195 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000901119531 616217135 /nfs/dbraw/zinc/21/71/35/616217135.db2.gz RPQVLRXHHUAREX-HNNXBMFYSA-N 2 2 294.399 0.578 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000901119531 616217136 /nfs/dbraw/zinc/21/71/36/616217136.db2.gz RPQVLRXHHUAREX-HNNXBMFYSA-N 2 2 294.399 0.578 20 0 CCADLP Cn1c(Cl)cnc1C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000799336981 616222498 /nfs/dbraw/zinc/22/24/98/616222498.db2.gz AMWMBCDZCGZYMB-UHFFFAOYSA-N 2 2 299.806 0.327 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)[C@@H](CO)C1 ZINC000912734926 616227163 /nfs/dbraw/zinc/22/71/63/616227163.db2.gz RSFSLSAFHQYWAQ-MCIONIFRSA-N 2 2 281.400 0.138 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)[C@@H](CO)C1 ZINC000912734926 616227164 /nfs/dbraw/zinc/22/71/64/616227164.db2.gz RSFSLSAFHQYWAQ-MCIONIFRSA-N 2 2 281.400 0.138 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)[C@@H](CO)C1 ZINC000912734926 616227165 /nfs/dbraw/zinc/22/71/65/616227165.db2.gz RSFSLSAFHQYWAQ-MCIONIFRSA-N 2 2 281.400 0.138 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)[C@@H](CO)C1 ZINC000912734926 616227166 /nfs/dbraw/zinc/22/71/66/616227166.db2.gz RSFSLSAFHQYWAQ-MCIONIFRSA-N 2 2 281.400 0.138 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@H]2CC[NH+]2C2CCCC2)C[C@H]1CO ZINC000913540301 616228457 /nfs/dbraw/zinc/22/84/57/616228457.db2.gz SHENQIQQKQGECF-UONOGXRCSA-N 2 2 281.400 0.138 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]2CC[NH+]2C2CCCC2)C[C@H]1CO ZINC000913540301 616228458 /nfs/dbraw/zinc/22/84/58/616228458.db2.gz SHENQIQQKQGECF-UONOGXRCSA-N 2 2 281.400 0.138 20 0 CCADLP C[NH+]1CCN(C(=O)[C@H]2CC[N@@H+]2C2CCCC2)C[C@H]1CO ZINC000913540301 616228459 /nfs/dbraw/zinc/22/84/59/616228459.db2.gz SHENQIQQKQGECF-UONOGXRCSA-N 2 2 281.400 0.138 20 0 CCADLP C[NH+]1CCN(C(=O)[C@H]2CC[N@H+]2C2CCCC2)C[C@H]1CO ZINC000913540301 616228460 /nfs/dbraw/zinc/22/84/60/616228460.db2.gz SHENQIQQKQGECF-UONOGXRCSA-N 2 2 281.400 0.138 20 0 CCADLP C[N@@H+]1CC[C@@H]1CNC(=O)NCCCCN1CC[NH+](C)CC1 ZINC000919509415 616240434 /nfs/dbraw/zinc/24/04/34/616240434.db2.gz NWYLGQVCTJWGBL-CQSZACIVSA-N 2 2 297.447 0.017 20 0 CCADLP C[N@H+]1CC[C@@H]1CNC(=O)NCCCCN1CC[NH+](C)CC1 ZINC000919509415 616240435 /nfs/dbraw/zinc/24/04/35/616240435.db2.gz NWYLGQVCTJWGBL-CQSZACIVSA-N 2 2 297.447 0.017 20 0 CCADLP Cn1cc([C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC[NH2+]2)cn1 ZINC000913455942 616268764 /nfs/dbraw/zinc/26/87/64/616268764.db2.gz FSXAYHWISQOLTB-JSGCOSHPSA-N 2 2 291.399 0.235 20 0 CCADLP Cn1cc([C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC[NH2+]2)cn1 ZINC000913455942 616268765 /nfs/dbraw/zinc/26/87/65/616268765.db2.gz FSXAYHWISQOLTB-JSGCOSHPSA-N 2 2 291.399 0.235 20 0 CCADLP C[N@@H+]1CC[C@@H]1CNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000925402610 616289532 /nfs/dbraw/zinc/28/95/32/616289532.db2.gz AZIBTMKXHNUVMF-OLZOCXBDSA-N 2 2 277.372 0.934 20 0 CCADLP C[N@H+]1CC[C@@H]1CNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000925402610 616289537 /nfs/dbraw/zinc/28/95/37/616289537.db2.gz AZIBTMKXHNUVMF-OLZOCXBDSA-N 2 2 277.372 0.934 20 0 CCADLP C[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000921628659 616295539 /nfs/dbraw/zinc/29/55/39/616295539.db2.gz GZFBKVFPMCXAEM-CHWSQXEVSA-N 2 2 289.383 0.664 20 0 CCADLP C[N@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000921628659 616295542 /nfs/dbraw/zinc/29/55/42/616295542.db2.gz GZFBKVFPMCXAEM-CHWSQXEVSA-N 2 2 289.383 0.664 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]21 ZINC000827277478 616314530 /nfs/dbraw/zinc/31/45/30/616314530.db2.gz LZIQWRMDPMXDNH-YPMHNXCESA-N 2 2 262.357 0.895 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]21 ZINC000827277478 616314538 /nfs/dbraw/zinc/31/45/38/616314538.db2.gz LZIQWRMDPMXDNH-YPMHNXCESA-N 2 2 262.357 0.895 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]21 ZINC000827277478 616314543 /nfs/dbraw/zinc/31/45/43/616314543.db2.gz LZIQWRMDPMXDNH-YPMHNXCESA-N 2 2 262.357 0.895 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]21 ZINC000827277478 616314547 /nfs/dbraw/zinc/31/45/47/616314547.db2.gz LZIQWRMDPMXDNH-YPMHNXCESA-N 2 2 262.357 0.895 20 0 CCADLP COCC[NH+]1CCC([NH2+][C@H]2CCC2(OC)OC)CC1 ZINC000924788132 616328149 /nfs/dbraw/zinc/32/81/49/616328149.db2.gz LLBNCKJAMVPYAO-ZDUSSCGKSA-N 2 2 272.389 0.838 20 0 CCADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+]([C@@H]1CCC(=O)NC1=O)C2 ZINC000852106464 616351756 /nfs/dbraw/zinc/35/17/56/616351756.db2.gz YTJODUNFRXFRGN-RISCZKNCSA-N 2 2 265.357 0.209 20 0 CCADLP C[N@H+]1CC[C@]2(C1)CCC[NH+]([C@@H]1CCC(=O)NC1=O)C2 ZINC000852106464 616351757 /nfs/dbraw/zinc/35/17/57/616351757.db2.gz YTJODUNFRXFRGN-RISCZKNCSA-N 2 2 265.357 0.209 20 0 CCADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC000852106464 616351761 /nfs/dbraw/zinc/35/17/61/616351761.db2.gz YTJODUNFRXFRGN-RISCZKNCSA-N 2 2 265.357 0.209 20 0 CCADLP C[NH+]1CC[C@]2(C1)CCC[N@H+]([C@@H]1CCC(=O)NC1=O)C2 ZINC000852106464 616351766 /nfs/dbraw/zinc/35/17/66/616351766.db2.gz YTJODUNFRXFRGN-RISCZKNCSA-N 2 2 265.357 0.209 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]CCC(=O)N(C)OC ZINC000819017892 616354683 /nfs/dbraw/zinc/35/46/83/616354683.db2.gz MYQMNQHVOMMLMS-LBPRGKRZSA-N 2 2 273.377 0.097 20 0 CCADLP COCC[N@H+]1CCC[C@H]1C[NH2+]CCC(=O)N(C)OC ZINC000819017892 616354687 /nfs/dbraw/zinc/35/46/87/616354687.db2.gz MYQMNQHVOMMLMS-LBPRGKRZSA-N 2 2 273.377 0.097 20 0 CCADLP COC(OC)[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000895788914 616357979 /nfs/dbraw/zinc/35/79/79/616357979.db2.gz CCWIZJLSADHRRX-AAEUAGOBSA-N 2 2 272.389 0.837 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000948759619 616363289 /nfs/dbraw/zinc/36/32/89/616363289.db2.gz DZNZLRGVEGUAHH-CYBMUJFWSA-N 2 2 269.389 0.117 20 0 CCADLP COC/C(C)=C/C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000929845842 616372468 /nfs/dbraw/zinc/37/24/68/616372468.db2.gz MDMGYRGRVMJKQH-HVJNQHDOSA-N 2 2 295.427 0.818 20 0 CCADLP COC/C(C)=C/C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000929845842 616372473 /nfs/dbraw/zinc/37/24/73/616372473.db2.gz MDMGYRGRVMJKQH-HVJNQHDOSA-N 2 2 295.427 0.818 20 0 CCADLP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H]([NH2+]Cc3cnon3)C2)C1 ZINC000970483091 616389425 /nfs/dbraw/zinc/38/94/25/616389425.db2.gz GBFOHTGYSBCDDG-VXGBXAGGSA-N 2 2 293.371 0.102 20 0 CCADLP C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H]([NH2+]Cc3cnon3)C2)C1 ZINC000970483091 616389430 /nfs/dbraw/zinc/38/94/30/616389430.db2.gz GBFOHTGYSBCDDG-VXGBXAGGSA-N 2 2 293.371 0.102 20 0 CCADLP C[N@@H+]1CC[C@H]1CNC[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000905546162 616431752 /nfs/dbraw/zinc/43/17/52/616431752.db2.gz JDGVWAIXDSBUMB-IRXDYDNUSA-N 2 2 289.423 0.917 20 0 CCADLP C[N@H+]1CC[C@H]1CNC[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000905546162 616431754 /nfs/dbraw/zinc/43/17/54/616431754.db2.gz JDGVWAIXDSBUMB-IRXDYDNUSA-N 2 2 289.423 0.917 20 0 CCADLP C[NH+]1CC[C@H]1CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000905546162 616431756 /nfs/dbraw/zinc/43/17/56/616431756.db2.gz JDGVWAIXDSBUMB-IRXDYDNUSA-N 2 2 289.423 0.917 20 0 CCADLP C[NH+]1CC[C@H]1CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000905546162 616431757 /nfs/dbraw/zinc/43/17/57/616431757.db2.gz JDGVWAIXDSBUMB-IRXDYDNUSA-N 2 2 289.423 0.917 20 0 CCADLP C[N@@H+]1CC[C@H]2C[NH+](CCc3nnn(C(C)(C)C)n3)CC[C@H]21 ZINC000879578846 616445183 /nfs/dbraw/zinc/44/51/83/616445183.db2.gz HMXOGGJPQCMLPI-QWHCGFSZSA-N 2 2 292.431 0.997 20 0 CCADLP C[N@H+]1CC[C@H]2C[NH+](CCc3nnn(C(C)(C)C)n3)CC[C@H]21 ZINC000879578846 616445186 /nfs/dbraw/zinc/44/51/86/616445186.db2.gz HMXOGGJPQCMLPI-QWHCGFSZSA-N 2 2 292.431 0.997 20 0 CCADLP C[NH+]1CC[C@H]2C[N@H+](CCc3nnn(C(C)(C)C)n3)CC[C@H]21 ZINC000879578846 616445189 /nfs/dbraw/zinc/44/51/89/616445189.db2.gz HMXOGGJPQCMLPI-QWHCGFSZSA-N 2 2 292.431 0.997 20 0 CCADLP C[NH+]1CC[C@H]2C[N@@H+](CCc3nnn(C(C)(C)C)n3)CC[C@H]21 ZINC000879578846 616445192 /nfs/dbraw/zinc/44/51/92/616445192.db2.gz HMXOGGJPQCMLPI-QWHCGFSZSA-N 2 2 292.431 0.997 20 0 CCADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2CN2CCOC2=O)C1 ZINC000902196724 616449964 /nfs/dbraw/zinc/44/99/64/616449964.db2.gz RNVBHBMXZZOALG-NEPJUHHUSA-N 2 2 253.346 0.812 20 0 CCADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2CN2CCOC2=O)C1 ZINC000902196724 616449966 /nfs/dbraw/zinc/44/99/66/616449966.db2.gz RNVBHBMXZZOALG-NEPJUHHUSA-N 2 2 253.346 0.812 20 0 CCADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2CN2CCOC2=O)C1 ZINC000902196724 616449969 /nfs/dbraw/zinc/44/99/69/616449969.db2.gz RNVBHBMXZZOALG-NEPJUHHUSA-N 2 2 253.346 0.812 20 0 CCADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2CN2CCOC2=O)C1 ZINC000902196724 616449974 /nfs/dbraw/zinc/44/99/74/616449974.db2.gz RNVBHBMXZZOALG-NEPJUHHUSA-N 2 2 253.346 0.812 20 0 CCADLP COCC[N@@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000977450495 616453002 /nfs/dbraw/zinc/45/30/02/616453002.db2.gz FLLYMCPQAJUYHQ-ZDUSSCGKSA-N 2 2 294.399 0.436 20 0 CCADLP COCC[N@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000977450495 616453005 /nfs/dbraw/zinc/45/30/05/616453005.db2.gz FLLYMCPQAJUYHQ-ZDUSSCGKSA-N 2 2 294.399 0.436 20 0 CCADLP COCCNC(=[NH2+])NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000848983425 616482824 /nfs/dbraw/zinc/48/28/24/616482824.db2.gz DSQWIAIDACJYJT-VXGBXAGGSA-N 2 2 286.420 0.635 20 0 CCADLP C[N@H+]1C[C@H]2CN(C(=O)N[C@@H]3CCn4cc[nH+]c4C3)C[C@H]2C1 ZINC000894310288 616510798 /nfs/dbraw/zinc/51/07/98/616510798.db2.gz UHKFOYAXRDKDLD-FRRDWIJNSA-N 2 2 289.383 0.401 20 0 CCADLP C[N@@H+]1C[C@H]2CN(C(=O)N[C@@H]3CCn4cc[nH+]c4C3)C[C@H]2C1 ZINC000894310288 616510802 /nfs/dbraw/zinc/51/08/02/616510802.db2.gz UHKFOYAXRDKDLD-FRRDWIJNSA-N 2 2 289.383 0.401 20 0 CCADLP COCCS(=O)(=O)CCC[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000843353128 616605303 /nfs/dbraw/zinc/60/53/03/616605303.db2.gz CKHJKFHEBFPPKQ-STQMWFEESA-N 2 2 292.445 0.497 20 0 CCADLP COCCS(=O)(=O)CCC[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000843353128 616605305 /nfs/dbraw/zinc/60/53/05/616605305.db2.gz CKHJKFHEBFPPKQ-STQMWFEESA-N 2 2 292.445 0.497 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517548 616623210 /nfs/dbraw/zinc/62/32/10/616623210.db2.gz AZTLAIKEPCPLKR-RYUDHWBXSA-N 2 2 295.383 0.434 20 0 CCADLP COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1cc(C)[nH+]cc1C ZINC000904398148 616646929 /nfs/dbraw/zinc/64/69/29/616646929.db2.gz LWYFSYLIOKZAJO-CYBMUJFWSA-N 2 2 292.383 0.963 20 0 CCADLP COC[C@H](C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C(C)C ZINC000903448487 616651933 /nfs/dbraw/zinc/65/19/33/616651933.db2.gz GOVRTKCEGLMIRA-LSDHHAIUSA-N 2 2 297.443 0.801 20 0 CCADLP COC[C@H](C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C(C)C ZINC000903448487 616651939 /nfs/dbraw/zinc/65/19/39/616651939.db2.gz GOVRTKCEGLMIRA-LSDHHAIUSA-N 2 2 297.443 0.801 20 0 CCADLP COC(=O)[C@](C)(Cn1cccn1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904477797 616751438 /nfs/dbraw/zinc/75/14/38/616751438.db2.gz YCCZACCLJVVZTD-LOWVWBTDSA-N 2 2 266.345 0.142 20 0 CCADLP COC(=O)[C@]1(F)CC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903768460 616772231 /nfs/dbraw/zinc/77/22/31/616772231.db2.gz NPPBXUAOYJWMBX-AAEUAGOBSA-N 2 2 258.337 0.963 20 0 CCADLP COC(=O)[C@]1(F)CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903768460 616772232 /nfs/dbraw/zinc/77/22/32/616772232.db2.gz NPPBXUAOYJWMBX-AAEUAGOBSA-N 2 2 258.337 0.963 20 0 CCADLP COC[C@H]1CCN(C(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC000903565961 616778680 /nfs/dbraw/zinc/77/86/80/616778680.db2.gz VTMOAMUPSBCZLC-LBPRGKRZSA-N 2 2 284.404 0.087 20 0 CCADLP COC[C@@H](C)[NH+]1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000949094117 616804355 /nfs/dbraw/zinc/80/43/55/616804355.db2.gz QIKBISQLBQXSPL-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP COC[C@@H](C)NC(=S)NCC[N@H+](C)CCC[NH+](C)C ZINC000849280598 616826572 /nfs/dbraw/zinc/82/65/72/616826572.db2.gz XTGMSHZSKTXAJD-GFCCVEGCSA-N 2 2 290.477 0.369 20 0 CCADLP COC[C@@H](C)NC(=S)NCC[N@@H+](C)CCC[NH+](C)C ZINC000849280598 616826574 /nfs/dbraw/zinc/82/65/74/616826574.db2.gz XTGMSHZSKTXAJD-GFCCVEGCSA-N 2 2 290.477 0.369 20 0 CCADLP CNC(=O)[C@H](CCSC)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925668856 616862816 /nfs/dbraw/zinc/86/28/16/616862816.db2.gz KVCAOFKDYRIRLJ-RJRAAQABSA-N 2 2 283.441 0.440 20 0 CCADLP CO[C@@H]1C[C@H]1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000932713671 616875349 /nfs/dbraw/zinc/87/53/49/616875349.db2.gz RLYBDCPMBUZWDK-ZIAGYGMSSA-N 2 2 283.416 0.506 20 0 CCADLP CO[C@@H]1C[C@H]1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000932713671 616875354 /nfs/dbraw/zinc/87/53/54/616875354.db2.gz RLYBDCPMBUZWDK-ZIAGYGMSSA-N 2 2 283.416 0.506 20 0 CCADLP CO[C@@H]1C[C@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000824957066 616883155 /nfs/dbraw/zinc/88/31/55/616883155.db2.gz KVAAMUYMOQFVPY-VXGBXAGGSA-N 2 2 257.378 0.021 20 0 CCADLP CO[C@@H]1C[C@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000824957066 616883158 /nfs/dbraw/zinc/88/31/58/616883158.db2.gz KVAAMUYMOQFVPY-VXGBXAGGSA-N 2 2 257.378 0.021 20 0 CCADLP COC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1ccco1 ZINC000878409416 616899115 /nfs/dbraw/zinc/89/91/15/616899115.db2.gz KGMLZTKRLKYIJL-CYBMUJFWSA-N 2 2 295.383 0.767 20 0 CCADLP COC[C@@H]1CCN(C(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC000903565960 616950862 /nfs/dbraw/zinc/95/08/62/616950862.db2.gz VTMOAMUPSBCZLC-GFCCVEGCSA-N 2 2 284.404 0.087 20 0 CCADLP COC(=O)c1ccoc1C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931481328 616951111 /nfs/dbraw/zinc/95/11/11/616951111.db2.gz QJLWHTQDTJHNTR-UHFFFAOYSA-N 2 2 296.367 0.955 20 0 CCADLP C[NH2+]CCOCC[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925719218 616968808 /nfs/dbraw/zinc/96/88/08/616968808.db2.gz MKLPGBMGSRQIET-TZMCWYRMSA-N 3 2 251.374 0.901 20 0 CCADLP C[NH2+]C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000923430504 616979925 /nfs/dbraw/zinc/97/99/25/616979925.db2.gz MRARZJRUUFDIDJ-ZNMIVQPWSA-N 2 2 286.416 0.617 20 0 CCADLP C[NH2+]C[C@@H]1CCCC[N@H+]1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000923430504 616979930 /nfs/dbraw/zinc/97/99/30/616979930.db2.gz MRARZJRUUFDIDJ-ZNMIVQPWSA-N 2 2 286.416 0.617 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000850864631 616989995 /nfs/dbraw/zinc/98/99/95/616989995.db2.gz QTCSFRROJZKIGV-JTQLQIEISA-N 2 2 293.371 0.119 20 0 CCADLP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000911864905 616998738 /nfs/dbraw/zinc/99/87/38/616998738.db2.gz UQSZIOXAVHSQIY-DGCLKSJQSA-N 2 2 262.357 0.656 20 0 CCADLP CON(C)C(=O)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000819143878 617017566 /nfs/dbraw/zinc/01/75/66/617017566.db2.gz PUUIZEXFFDBFMP-GHMZBOCLSA-N 2 2 255.362 0.611 20 0 CCADLP CON(C)C(=O)CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000819143878 617017571 /nfs/dbraw/zinc/01/75/71/617017571.db2.gz PUUIZEXFFDBFMP-GHMZBOCLSA-N 2 2 255.362 0.611 20 0 CCADLP COC[C@H](C)C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000895685257 617053801 /nfs/dbraw/zinc/05/38/01/617053801.db2.gz KNUYRRJKDWNALA-CVEARBPZSA-N 2 2 299.459 0.655 20 0 CCADLP CON(C)C(=O)[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000858580674 617068642 /nfs/dbraw/zinc/06/86/42/617068642.db2.gz UDSKVOQVYORPQP-JSGCOSHPSA-N 2 2 299.415 0.628 20 0 CCADLP CON1CC[C@H]([N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1=O ZINC000931684425 617098572 /nfs/dbraw/zinc/09/85/72/617098572.db2.gz RJGRBXUTWIASCB-OCCSQVGLSA-N 2 2 290.367 0.754 20 0 CCADLP CON1CC[C@H]([N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1=O ZINC000931684425 617098573 /nfs/dbraw/zinc/09/85/73/617098573.db2.gz RJGRBXUTWIASCB-OCCSQVGLSA-N 2 2 290.367 0.754 20 0 CCADLP CO[C@H]1CCC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000903206497 617099259 /nfs/dbraw/zinc/09/92/59/617099259.db2.gz RCISROAVZFCXBG-AGIUHOORSA-N 2 2 269.389 0.483 20 0 CCADLP CO[C@H]1CCC[C@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000903206497 617099260 /nfs/dbraw/zinc/09/92/60/617099260.db2.gz RCISROAVZFCXBG-AGIUHOORSA-N 2 2 269.389 0.483 20 0 CCADLP COc1c(C)c[nH+]c(CNS(=O)(=O)C2C[NH2+]C2)c1C ZINC000923602674 617146086 /nfs/dbraw/zinc/14/60/86/617146086.db2.gz RLEOXMGFRMONQX-UHFFFAOYSA-N 2 2 285.369 0.098 20 0 CCADLP C[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)N1CCOCC1 ZINC000925524879 625363863 /nfs/dbraw/zinc/36/38/63/625363863.db2.gz BDADMNXOBQTISG-STQMWFEESA-N 2 2 253.390 0.581 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2CC[C@@H]([NH2+]CCO)[C@H]2C1 ZINC001026254875 625377921 /nfs/dbraw/zinc/37/79/21/625377921.db2.gz YFSJZEQKXHJMMX-RWMBFGLXSA-N 2 2 292.383 0.161 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(c2nccn3c[nH+]cc23)[C@@H](C)C1 ZINC000893258184 625404257 /nfs/dbraw/zinc/40/42/57/625404257.db2.gz FHUCQWSEDMBBFL-RYUDHWBXSA-N 2 2 275.356 0.621 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(c2nccn3c[nH+]cc23)[C@@H](C)C1 ZINC000893258184 625404261 /nfs/dbraw/zinc/40/42/61/625404261.db2.gz FHUCQWSEDMBBFL-RYUDHWBXSA-N 2 2 275.356 0.621 20 0 CCADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000925607958 625442385 /nfs/dbraw/zinc/44/23/85/625442385.db2.gz YFZLWPULUQBLQW-HIFRSBDPSA-N 3 2 268.449 0.743 20 0 CCADLP CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001026432137 625448652 /nfs/dbraw/zinc/44/86/52/625448652.db2.gz OJYYPRJRFKZERR-RWMBFGLXSA-N 2 2 262.357 0.730 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000892081619 622570243 /nfs/dbraw/zinc/57/02/43/622570243.db2.gz CGHSLPWCIJRGOX-JTQLQIEISA-N 2 2 251.334 0.361 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NCc2c[nH+]cn2C)CC[NH2+]1 ZINC000892094622 622582712 /nfs/dbraw/zinc/58/27/12/622582712.db2.gz BGQXGMHDTVABTN-NXEZZACHSA-N 2 2 251.334 0.360 20 0 CCADLP Cc1cc(N)nc(NCC[N@@H+]2CCOC(C)(C)C2)[nH+]1 ZINC000892250433 622690655 /nfs/dbraw/zinc/69/06/55/622690655.db2.gz HPLKGBVNDMOVFY-UHFFFAOYSA-N 2 2 265.361 0.890 20 0 CCADLP Cc1cc(N)nc(NCC[N@H+]2CCOC(C)(C)C2)[nH+]1 ZINC000892250433 622690659 /nfs/dbraw/zinc/69/06/59/622690659.db2.gz HPLKGBVNDMOVFY-UHFFFAOYSA-N 2 2 265.361 0.890 20 0 CCADLP C[C@H](CN1CCOCC1)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310775 625590760 /nfs/dbraw/zinc/59/07/60/625590760.db2.gz HSABWEWIWHRGEO-OAGGEKHMSA-N 2 2 281.444 0.981 20 0 CCADLP C[C@H](CN1CCOCC1)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310775 625590771 /nfs/dbraw/zinc/59/07/71/625590771.db2.gz HSABWEWIWHRGEO-OAGGEKHMSA-N 2 2 281.444 0.981 20 0 CCADLP C[C@H](CN1CCOCC1)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931310775 625590786 /nfs/dbraw/zinc/59/07/86/625590786.db2.gz HSABWEWIWHRGEO-OAGGEKHMSA-N 2 2 281.444 0.981 20 0 CCADLP C[C@H](CN1CCOCC1)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931310775 625590793 /nfs/dbraw/zinc/59/07/93/625590793.db2.gz HSABWEWIWHRGEO-OAGGEKHMSA-N 2 2 281.444 0.981 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+]Cc2cccnc2)C1 ZINC001022775352 622742363 /nfs/dbraw/zinc/74/23/63/622742363.db2.gz PQPLYRYMAKBYPN-BETUJISGSA-N 2 2 285.351 0.784 20 0 CCADLP Cc1cc(N)nc(NC[C@H](C)N2CC[NH+](C)CC2)[nH+]1 ZINC000892281999 622772684 /nfs/dbraw/zinc/77/26/84/622772684.db2.gz SEEWNVGPSZBQIB-NSHDSACASA-N 2 2 264.377 0.415 20 0 CCADLP C[C@H](CC(=O)N1CC[C@@H]([N@H+](C)CCO)C1)n1cc[nH+]c1 ZINC000972451049 622845842 /nfs/dbraw/zinc/84/58/42/622845842.db2.gz VNDBNADRVBMMJC-CHWSQXEVSA-N 2 2 280.372 0.359 20 0 CCADLP C[C@H](CC(=O)N1CC[C@@H]([N@@H+](C)CCO)C1)n1cc[nH+]c1 ZINC000972451049 622845845 /nfs/dbraw/zinc/84/58/45/622845845.db2.gz VNDBNADRVBMMJC-CHWSQXEVSA-N 2 2 280.372 0.359 20 0 CCADLP CCNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000052043305 622850466 /nfs/dbraw/zinc/85/04/66/622850466.db2.gz AQPAXMNOYINUEE-LBPRGKRZSA-N 2 2 255.410 0.392 20 0 CCADLP O=C(N[C@H]1C[C@@H]([NH2+]CCF)C1)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001023117615 622915818 /nfs/dbraw/zinc/91/58/18/622915818.db2.gz WYVQEIOCLKONHX-MJBXVCDLSA-N 2 2 299.390 0.304 20 0 CCADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925698255 625620967 /nfs/dbraw/zinc/62/09/67/625620967.db2.gz JOKHRYROWBTFJT-VZANTVGXSA-N 3 2 253.390 0.470 20 0 CCADLP CC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001026880607 625652262 /nfs/dbraw/zinc/65/22/62/625652262.db2.gz RGIDPYORGXHKQG-LLVKDONJSA-N 2 2 250.346 0.800 20 0 CCADLP CC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001026880607 625652273 /nfs/dbraw/zinc/65/22/73/625652273.db2.gz RGIDPYORGXHKQG-LLVKDONJSA-N 2 2 250.346 0.800 20 0 CCADLP C[C@@H]1CC[N@H+](CCNC(=O)NCC[NH+]2CCO[C@H](C)C2)C1 ZINC000892598231 623574702 /nfs/dbraw/zinc/57/47/02/623574702.db2.gz YQXBQMCAIZNAIC-ZIAGYGMSSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@@H]1CC[N@@H+](CCNC(=O)NCC[NH+]2CCO[C@H](C)C2)C1 ZINC000892598231 623574706 /nfs/dbraw/zinc/57/47/06/623574706.db2.gz YQXBQMCAIZNAIC-ZIAGYGMSSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@@H]1CC[NH+](CCNC(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000892598231 623574711 /nfs/dbraw/zinc/57/47/11/623574711.db2.gz YQXBQMCAIZNAIC-ZIAGYGMSSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@@H]1CC[NH+](CCNC(=O)NCC[N@H+]2CCO[C@H](C)C2)C1 ZINC000892598231 623574715 /nfs/dbraw/zinc/57/47/15/623574715.db2.gz YQXBQMCAIZNAIC-ZIAGYGMSSA-N 2 2 298.431 0.348 20 0 CCADLP Cn1cc[nH+]c1N1CCN(c2nccn3c[nH+]cc23)CC1 ZINC000892607774 623584341 /nfs/dbraw/zinc/58/43/41/623584341.db2.gz MDFYJMUAGIIAKD-UHFFFAOYSA-N 2 2 283.339 0.789 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC)C1 ZINC001026973071 625676827 /nfs/dbraw/zinc/67/68/27/625676827.db2.gz VHGHZWFVVVFUHL-HUUCEWRRSA-N 2 2 297.443 0.945 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC)C1 ZINC001026973071 625676831 /nfs/dbraw/zinc/67/68/31/625676831.db2.gz VHGHZWFVVVFUHL-HUUCEWRRSA-N 2 2 297.443 0.945 20 0 CCADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC000892762459 623829631 /nfs/dbraw/zinc/82/96/31/623829631.db2.gz AECWQKSGHHTDLW-GRYCIOLGSA-N 2 2 262.419 0.739 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](C/C=C\Cl)C[C@H]32)C1 ZINC001025719861 623875786 /nfs/dbraw/zinc/87/57/86/623875786.db2.gz OZLFMUPYSSXFHZ-JXDOPVFRSA-N 2 2 299.802 0.116 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](C/C=C\Cl)C[C@H]32)C1 ZINC001025719861 623875787 /nfs/dbraw/zinc/87/57/87/623875787.db2.gz OZLFMUPYSSXFHZ-JXDOPVFRSA-N 2 2 299.802 0.116 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](C/C=C\Cl)C[C@H]32)C1 ZINC001025719861 623875790 /nfs/dbraw/zinc/87/57/90/623875790.db2.gz OZLFMUPYSSXFHZ-JXDOPVFRSA-N 2 2 299.802 0.116 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](C/C=C\Cl)C[C@H]32)C1 ZINC001025719861 623875792 /nfs/dbraw/zinc/87/57/92/623875792.db2.gz OZLFMUPYSSXFHZ-JXDOPVFRSA-N 2 2 299.802 0.116 20 0 CCADLP CC(C)C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001021130112 624664870 /nfs/dbraw/zinc/66/48/70/624664870.db2.gz OYYDQZVDDWLSGQ-HAQNSBGRSA-N 2 2 250.346 0.776 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2cnsn2)CC1 ZINC000926115345 624809701 /nfs/dbraw/zinc/80/97/01/624809701.db2.gz FVBIGVWQTNSSIM-UHFFFAOYSA-N 2 2 270.362 0.083 20 0 CCADLP O=C(N[C@H]1C[C@@H]([NH2+]CCF)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001022309778 624921038 /nfs/dbraw/zinc/92/10/38/624921038.db2.gz FSJCABSBDAQNIF-SDDRHHMPSA-N 2 2 280.347 0.652 20 0 CCADLP O=C(N[C@H]1C[C@@H]([NH2+]CCF)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001022310752 624921504 /nfs/dbraw/zinc/92/15/04/624921504.db2.gz IWTLPPNVTRAGFX-UTUOFQBUSA-N 2 2 280.347 0.652 20 0 CCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1)C2 ZINC001022321158 624924168 /nfs/dbraw/zinc/92/41/68/624924168.db2.gz GAZRVIJQVKWOMC-UTUOFQBUSA-N 2 2 292.383 0.052 20 0 CCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1)CC2 ZINC001022321158 624924175 /nfs/dbraw/zinc/92/41/75/624924175.db2.gz GAZRVIJQVKWOMC-UTUOFQBUSA-N 2 2 292.383 0.052 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000891895102 624979980 /nfs/dbraw/zinc/97/99/80/624979980.db2.gz BQWNPQLDPZNADC-MCIONIFRSA-N 2 2 296.415 0.053 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000891895102 624980016 /nfs/dbraw/zinc/98/00/16/624980016.db2.gz BQWNPQLDPZNADC-MCIONIFRSA-N 2 2 296.415 0.053 20 0 CCADLP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001022590568 625053947 /nfs/dbraw/zinc/05/39/47/625053947.db2.gz IGFQZSTZAZLEDA-GUTXKFCHSA-N 2 2 295.427 0.887 20 0 CCADLP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001022590568 625053950 /nfs/dbraw/zinc/05/39/50/625053950.db2.gz IGFQZSTZAZLEDA-GUTXKFCHSA-N 2 2 295.427 0.887 20 0 CCADLP Cn1cnnc1N1CC[NH+]([C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925714683 625719121 /nfs/dbraw/zinc/71/91/21/625719121.db2.gz UTDTZLZSLZLBAG-NEPJUHHUSA-N 2 2 276.388 0.207 20 0 CCADLP CC[C@H](C[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1)OC ZINC001009717486 625913970 /nfs/dbraw/zinc/91/39/70/625913970.db2.gz OZGJIHQPKQFPQL-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP CC[C@H](C[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1)OC ZINC001009717486 625913971 /nfs/dbraw/zinc/91/39/71/625913971.db2.gz OZGJIHQPKQFPQL-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP Cn1nnnc1CCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000903351844 634555588 /nfs/dbraw/zinc/55/55/88/634555588.db2.gz PQXYPIRNHLRLQB-CHWSQXEVSA-N 2 2 278.404 0.749 20 0 CCADLP Cn1nnnc1CCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000903351844 634555597 /nfs/dbraw/zinc/55/55/97/634555597.db2.gz PQXYPIRNHLRLQB-CHWSQXEVSA-N 2 2 278.404 0.749 20 0 CCADLP c1ccc([C@]23COC[C@H]2C[N@@H+](C[C@H]2C[NH2+]CCO2)C3)cc1 ZINC000903490829 634587508 /nfs/dbraw/zinc/58/75/08/634587508.db2.gz JSKOCPLELYQCDN-ZACQAIPSSA-N 2 2 288.391 0.875 20 0 CCADLP c1ccc([C@]23COC[C@H]2C[N@H+](C[C@H]2C[NH2+]CCO2)C3)cc1 ZINC000903490829 634587513 /nfs/dbraw/zinc/58/75/13/634587513.db2.gz JSKOCPLELYQCDN-ZACQAIPSSA-N 2 2 288.391 0.875 20 0 CCADLP O=C(CN1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1)NC1CC1 ZINC000903732805 634632553 /nfs/dbraw/zinc/63/25/53/634632553.db2.gz IAWUUWZGYTZLMD-AWEZNQCLSA-N 2 2 294.443 0.272 20 0 CCADLP O=S1(=O)C[C@@H]2CC[N@H+](C[C@@H]3CCCC[NH2+]C3)C[C@H]2C1 ZINC000903781280 634651163 /nfs/dbraw/zinc/65/11/63/634651163.db2.gz PGSPXJKEGGLKEY-RDBSUJKOSA-N 2 2 286.441 0.743 20 0 CCADLP O=S1(=O)C[C@@H]2CC[N@@H+](C[C@@H]3CCCC[NH2+]C3)C[C@H]2C1 ZINC000903781280 634651169 /nfs/dbraw/zinc/65/11/69/634651169.db2.gz PGSPXJKEGGLKEY-RDBSUJKOSA-N 2 2 286.441 0.743 20 0 CCADLP [NH3+]C[C@]12CC[C@H]1CCC[N@@H+]2C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000903803178 634655856 /nfs/dbraw/zinc/65/58/56/634655856.db2.gz WGJDWPZUTMLVSU-VNHYZAJKSA-N 3 2 265.401 0.711 20 0 CCADLP [NH3+]C[C@]12CC[C@H]1CCC[N@H+]2C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000903803178 634655859 /nfs/dbraw/zinc/65/58/59/634655859.db2.gz WGJDWPZUTMLVSU-VNHYZAJKSA-N 3 2 265.401 0.711 20 0 CCADLP Cn1nccc1[C@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000903824404 634658262 /nfs/dbraw/zinc/65/82/62/634658262.db2.gz PZVCIRZYFVAYAG-TZMCWYRMSA-N 2 2 292.383 0.314 20 0 CCADLP Cn1nccc1[C@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000903824404 634658268 /nfs/dbraw/zinc/65/82/68/634658268.db2.gz PZVCIRZYFVAYAG-TZMCWYRMSA-N 2 2 292.383 0.314 20 0 CCADLP O=C(CC[N@@H+]1CCC[C@@]12CC[NH2+]C2)N1CCOCC1 ZINC000903867171 634665436 /nfs/dbraw/zinc/66/54/36/634665436.db2.gz ZUQYBRNOZPDWJO-AWEZNQCLSA-N 2 2 267.373 0.063 20 0 CCADLP O=C(CC[N@H+]1CCC[C@@]12CC[NH2+]C2)N1CCOCC1 ZINC000903867171 634665442 /nfs/dbraw/zinc/66/54/42/634665442.db2.gz ZUQYBRNOZPDWJO-AWEZNQCLSA-N 2 2 267.373 0.063 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CCCN1CCOCC1 ZINC000903856108 634667942 /nfs/dbraw/zinc/66/79/42/634667942.db2.gz PXNRIWKCLHQANT-ZIAGYGMSSA-N 2 2 253.390 0.522 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CCCN1CCOCC1 ZINC000903856108 634667949 /nfs/dbraw/zinc/66/79/49/634667949.db2.gz PXNRIWKCLHQANT-ZIAGYGMSSA-N 2 2 253.390 0.522 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CCN2CCC[NH+]1CCOCC1 ZINC000903856108 634667956 /nfs/dbraw/zinc/66/79/56/634667956.db2.gz PXNRIWKCLHQANT-ZIAGYGMSSA-N 2 2 253.390 0.522 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903873477 634672701 /nfs/dbraw/zinc/67/27/01/634672701.db2.gz IMEQANUZZCVXRB-YNEHKIRRSA-N 3 2 278.404 0.372 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903873477 634672702 /nfs/dbraw/zinc/67/27/02/634672702.db2.gz IMEQANUZZCVXRB-YNEHKIRRSA-N 3 2 278.404 0.372 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cnn1C ZINC000903919593 634686646 /nfs/dbraw/zinc/68/66/46/634686646.db2.gz OOXXOSSSXKEEEM-KYOSRNDESA-N 3 2 279.432 0.576 20 0 CCADLP Cc1c(C[C@@H](C[NH3+])C[NH+]2CCC3(CC[NH2+]3)CC2)cnn1C ZINC000903930549 634690822 /nfs/dbraw/zinc/69/08/22/634690822.db2.gz ZSZGYBAWFZQOAV-AWEZNQCLSA-N 3 2 291.443 0.674 20 0 CCADLP [NH3+][C@@H](CC(F)F)C[N@@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000903933251 634691776 /nfs/dbraw/zinc/69/17/76/634691776.db2.gz NEXWPOFMOIRBNY-MNOVXSKESA-N 2 2 275.343 0.913 20 0 CCADLP [NH3+][C@@H](CC(F)F)C[N@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000903933251 634691779 /nfs/dbraw/zinc/69/17/79/634691779.db2.gz NEXWPOFMOIRBNY-MNOVXSKESA-N 2 2 275.343 0.913 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH2+]CC3)o2)CC[NH2+]1 ZINC000904355255 634734876 /nfs/dbraw/zinc/73/48/76/634734876.db2.gz LYPGMGOEIGVCEL-CHWSQXEVSA-N 3 2 278.400 0.919 20 0 CCADLP [NH3+]C[C@H]1CC2(CO1)CC[NH+](C[C@@H]([NH3+])CC(F)F)CC2 ZINC000904393354 634738330 /nfs/dbraw/zinc/73/83/30/634738330.db2.gz QVRZNRLUMVXYKQ-WDEREUQCSA-N 3 2 277.359 0.799 20 0 CCADLP Cn1c[nH+]c(CCNC(=[NH2+])NC[C@H]2CCCS2)c1 ZINC000905042065 634783024 /nfs/dbraw/zinc/78/30/24/634783024.db2.gz ARYJNYFCVQONEG-LLVKDONJSA-N 2 2 267.402 0.972 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CCn2cc[nH+]c2C1)C1(O)CCCC1 ZINC000905219895 634824711 /nfs/dbraw/zinc/82/47/11/634824711.db2.gz TZQGCOWTIWQBQC-VXGBXAGGSA-N 2 2 265.357 0.454 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC000980272959 631006003 /nfs/dbraw/zinc/00/60/03/631006003.db2.gz IKUFEGSSVIKDNK-MELADBBJSA-N 2 2 292.383 0.092 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC000980272959 631006008 /nfs/dbraw/zinc/00/60/08/631006008.db2.gz IKUFEGSSVIKDNK-MELADBBJSA-N 2 2 292.383 0.092 20 0 CCADLP O=C([C@@H]1C[NH+]2CCC[C@@H]2CO1)N1CCC[N@@H+](CCF)CC1 ZINC000981210605 631250529 /nfs/dbraw/zinc/25/05/29/631250529.db2.gz RXYNQQGRMGNFKJ-KGLIPLIRSA-N 2 2 299.390 0.353 20 0 CCADLP O=C([C@@H]1C[NH+]2CCC[C@@H]2CO1)N1CCC[N@H+](CCF)CC1 ZINC000981210605 631250536 /nfs/dbraw/zinc/25/05/36/631250536.db2.gz RXYNQQGRMGNFKJ-KGLIPLIRSA-N 2 2 299.390 0.353 20 0 CCADLP O=C([C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC[NH+](CCF)CC1 ZINC000981210605 631250544 /nfs/dbraw/zinc/25/05/44/631250544.db2.gz RXYNQQGRMGNFKJ-KGLIPLIRSA-N 2 2 299.390 0.353 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N2CCC[NH+](CCF)CC2)C1 ZINC000981957356 631347132 /nfs/dbraw/zinc/34/71/32/631347132.db2.gz JFSXXLWTMILTOF-ZDUSSCGKSA-N 2 2 271.380 0.832 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N2CCC[NH+](CCF)CC2)C1 ZINC000981957356 631347138 /nfs/dbraw/zinc/34/71/38/631347138.db2.gz JFSXXLWTMILTOF-ZDUSSCGKSA-N 2 2 271.380 0.832 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)N2CCC[N@H+](CCF)CC2)C1 ZINC000981957356 631347142 /nfs/dbraw/zinc/34/71/42/631347142.db2.gz JFSXXLWTMILTOF-ZDUSSCGKSA-N 2 2 271.380 0.832 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)N2CCC[N@@H+](CCF)CC2)C1 ZINC000981957356 631347147 /nfs/dbraw/zinc/34/71/47/631347147.db2.gz JFSXXLWTMILTOF-ZDUSSCGKSA-N 2 2 271.380 0.832 20 0 CCADLP Cn1cncc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010368880 631351283 /nfs/dbraw/zinc/35/12/83/631351283.db2.gz HRDDVVDVFMZKNH-TZMCWYRMSA-N 2 2 291.399 0.205 20 0 CCADLP Cn1cncc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010368880 631351288 /nfs/dbraw/zinc/35/12/88/631351288.db2.gz HRDDVVDVFMZKNH-TZMCWYRMSA-N 2 2 291.399 0.205 20 0 CCADLP Cn1cncc1C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001010368880 631351292 /nfs/dbraw/zinc/35/12/92/631351292.db2.gz HRDDVVDVFMZKNH-TZMCWYRMSA-N 2 2 291.399 0.205 20 0 CCADLP Cn1cncc1C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001010368880 631351297 /nfs/dbraw/zinc/35/12/97/631351297.db2.gz HRDDVVDVFMZKNH-TZMCWYRMSA-N 2 2 291.399 0.205 20 0 CCADLP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@H]1CCC[NH2+]1 ZINC000925848303 631396372 /nfs/dbraw/zinc/39/63/72/631396372.db2.gz FCDNBKZXHQIUBB-YNEHKIRRSA-N 3 2 281.400 0.402 20 0 CCADLP CS(=O)(=O)C1CC([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000893706106 631399036 /nfs/dbraw/zinc/39/90/36/631399036.db2.gz AUGTWPROIYUBKY-WHXUTIOJSA-N 2 2 269.370 0.363 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C(C)(C)CO ZINC000924903579 631612633 /nfs/dbraw/zinc/61/26/33/631612633.db2.gz VZKWWGCRWMNHGZ-KGLIPLIRSA-N 2 2 299.459 0.926 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)C(C)(C)CO ZINC000924903579 631612636 /nfs/dbraw/zinc/61/26/36/631612636.db2.gz VZKWWGCRWMNHGZ-KGLIPLIRSA-N 2 2 299.459 0.926 20 0 CCADLP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cn(C)cn1 ZINC000924946531 631658286 /nfs/dbraw/zinc/65/82/86/631658286.db2.gz UNPGEJCISFVETN-LBPRGKRZSA-N 2 2 279.388 0.235 20 0 CCADLP C[C@@H]1CC[N@H+](CCCO)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000968703505 650026096 /nfs/dbraw/zinc/02/60/96/650026096.db2.gz WDQSXZDLYSNIKE-CHWSQXEVSA-N 2 2 280.372 0.092 20 0 CCADLP C[C@@H]1CC[N@@H+](CCCO)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000968703505 650026098 /nfs/dbraw/zinc/02/60/98/650026098.db2.gz WDQSXZDLYSNIKE-CHWSQXEVSA-N 2 2 280.372 0.092 20 0 CCADLP C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@@H+]1C ZINC000928438381 631841814 /nfs/dbraw/zinc/84/18/14/631841814.db2.gz ZNJPGNJAZHCZEQ-QCNOEVLYSA-N 2 2 262.357 0.732 20 0 CCADLP C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@H+]1C ZINC000928438381 631841821 /nfs/dbraw/zinc/84/18/21/631841821.db2.gz ZNJPGNJAZHCZEQ-QCNOEVLYSA-N 2 2 262.357 0.732 20 0 CCADLP CC1(C)COC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000895390060 632073979 /nfs/dbraw/zinc/07/39/79/632073979.db2.gz IASRQAMKKIKSPE-RYUDHWBXSA-N 2 2 269.389 0.341 20 0 CCADLP CC1(C)COC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000895390060 632073988 /nfs/dbraw/zinc/07/39/88/632073988.db2.gz IASRQAMKKIKSPE-RYUDHWBXSA-N 2 2 269.389 0.341 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC000986605576 632779013 /nfs/dbraw/zinc/77/90/13/632779013.db2.gz YFSUBJIJWGGDCN-NWDGAFQWSA-N 2 2 264.373 0.952 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000987348999 632859826 /nfs/dbraw/zinc/85/98/26/632859826.db2.gz RKVKGYFQABDKPR-ZYHUDNBSSA-N 2 2 250.346 0.562 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCc1nnnn1C ZINC000898040710 633272844 /nfs/dbraw/zinc/27/28/44/633272844.db2.gz YKUNNCJAGBVBQR-JQWIXIFHSA-N 2 2 264.377 0.215 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCc1nnnn1C ZINC000898040710 633272847 /nfs/dbraw/zinc/27/28/47/633272847.db2.gz YKUNNCJAGBVBQR-JQWIXIFHSA-N 2 2 264.377 0.215 20 0 CCADLP O[C@@H](C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000905446711 634862985 /nfs/dbraw/zinc/86/29/85/634862985.db2.gz KMYAUNZVTJVWSR-HOTGVXAUSA-N 2 2 297.443 0.144 20 0 CCADLP CC(C)[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC000989679974 633344715 /nfs/dbraw/zinc/34/47/15/633344715.db2.gz OLHXVOWZESXRLP-NWDGAFQWSA-N 2 2 264.373 0.950 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCF)CN1C(=O)Cc1c[nH+]cn1C ZINC000989679482 633344757 /nfs/dbraw/zinc/34/47/57/633344757.db2.gz KYJAYOCCGXXJCB-GHMZBOCLSA-N 2 2 268.336 0.511 20 0 CCADLP C[C@H]1[C@H](NC(=O)N(C)CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000925328362 633448621 /nfs/dbraw/zinc/44/86/21/633448621.db2.gz INNWDUAYEBGVOE-QWHCGFSZSA-N 2 2 284.404 0.053 20 0 CCADLP C[C@H]1[C@H](NC(=O)N(C)CC[NH+]2CCOCC2)CC[N@H+]1C ZINC000925328362 633448623 /nfs/dbraw/zinc/44/86/23/633448623.db2.gz INNWDUAYEBGVOE-QWHCGFSZSA-N 2 2 284.404 0.053 20 0 CCADLP O=C(N[C@@H]1CCC[N@@H+](CCF)C1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000898504155 633617245 /nfs/dbraw/zinc/61/72/45/633617245.db2.gz OMSQFOYASUUAAX-KGLIPLIRSA-N 2 2 299.390 0.257 20 0 CCADLP O=C(N[C@@H]1CCC[N@H+](CCF)C1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000898504155 633617246 /nfs/dbraw/zinc/61/72/46/633617246.db2.gz OMSQFOYASUUAAX-KGLIPLIRSA-N 2 2 299.390 0.257 20 0 CCADLP C[C@@H](C(=O)N[C@@H](CO)c1c[nH+]cn1C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000898883853 633681476 /nfs/dbraw/zinc/68/14/76/633681476.db2.gz MLOKLNQUWUVGHR-RNJOBUHISA-N 2 2 294.399 0.831 20 0 CCADLP C[C@@H](C(=O)N[C@@H](CO)c1c[nH+]cn1C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000898883853 633681477 /nfs/dbraw/zinc/68/14/77/633681477.db2.gz MLOKLNQUWUVGHR-RNJOBUHISA-N 2 2 294.399 0.831 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[N@H+](CCO)C1 ZINC001008583481 650120970 /nfs/dbraw/zinc/12/09/70/650120970.db2.gz QBSODWWAQLWHED-YNEHKIRRSA-N 2 2 292.383 0.097 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCO)C1 ZINC001008583481 650120975 /nfs/dbraw/zinc/12/09/75/650120975.db2.gz QBSODWWAQLWHED-YNEHKIRRSA-N 2 2 292.383 0.097 20 0 CCADLP CC(C)C[C@H](C(=O)NCC[N@H+](C)CCO)n1cc[nH+]c1 ZINC000899740016 633881524 /nfs/dbraw/zinc/88/15/24/633881524.db2.gz CCMXSOIBYBYBBV-CYBMUJFWSA-N 2 2 282.388 0.511 20 0 CCADLP CC(C)C[C@H](C(=O)NCC[N@@H+](C)CCO)n1cc[nH+]c1 ZINC000899740016 633881526 /nfs/dbraw/zinc/88/15/26/633881526.db2.gz CCMXSOIBYBYBBV-CYBMUJFWSA-N 2 2 282.388 0.511 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900600979 634051348 /nfs/dbraw/zinc/05/13/48/634051348.db2.gz CMIMGHCNSFLURG-ZNMIVQPWSA-N 2 2 295.427 0.528 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900600979 634051352 /nfs/dbraw/zinc/05/13/52/634051352.db2.gz CMIMGHCNSFLURG-ZNMIVQPWSA-N 2 2 295.427 0.528 20 0 CCADLP CSC[C@@H](O)C[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000905519464 634874608 /nfs/dbraw/zinc/87/46/08/634874608.db2.gz UEPCYFMYUDACQB-LBPRGKRZSA-N 2 2 255.387 0.961 20 0 CCADLP C[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1cnccn1 ZINC000912386161 636561854 /nfs/dbraw/zinc/56/18/54/636561854.db2.gz BUAAVRPVYKVVCO-CYBMUJFWSA-N 2 2 293.415 0.580 20 0 CCADLP C[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1cnccn1 ZINC000912386161 636561855 /nfs/dbraw/zinc/56/18/55/636561855.db2.gz BUAAVRPVYKVVCO-CYBMUJFWSA-N 2 2 293.415 0.580 20 0 CCADLP COCCOCCOCC[N@@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000228569083 637063566 /nfs/dbraw/zinc/06/35/66/637063566.db2.gz PJWMWXKGZIKLAS-KGLIPLIRSA-N 2 2 274.405 0.725 20 0 CCADLP COCCOCCOCC[N@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000228569083 637063572 /nfs/dbraw/zinc/06/35/72/637063572.db2.gz PJWMWXKGZIKLAS-KGLIPLIRSA-N 2 2 274.405 0.725 20 0 CCADLP CCCc1noc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)n1 ZINC000063180442 637206598 /nfs/dbraw/zinc/20/65/98/637206598.db2.gz CHVKHRFDEYETMY-NSHDSACASA-N 2 2 295.387 0.309 20 0 CCADLP CCCc1noc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)n1 ZINC000063180442 637206604 /nfs/dbraw/zinc/20/66/04/637206604.db2.gz CHVKHRFDEYETMY-NSHDSACASA-N 2 2 295.387 0.309 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC2(CC1)OCCO2 ZINC000311435647 637314671 /nfs/dbraw/zinc/31/46/71/637314671.db2.gz DZBMBMASRUUXKN-CYBMUJFWSA-N 2 2 272.389 0.526 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC2(CC1)OCCO2 ZINC000311435647 637314676 /nfs/dbraw/zinc/31/46/76/637314676.db2.gz DZBMBMASRUUXKN-CYBMUJFWSA-N 2 2 272.389 0.526 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCO[C@H](C)C2)[C@H](C)C1 ZINC000174772976 637653881 /nfs/dbraw/zinc/65/38/81/637653881.db2.gz FQWLMRXBZCFOFL-KFWWJZLASA-N 2 2 297.443 0.896 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCO[C@H](C)C2)[C@H](C)C1 ZINC000174772976 637653888 /nfs/dbraw/zinc/65/38/88/637653888.db2.gz FQWLMRXBZCFOFL-KFWWJZLASA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCO[C@H](C)C2)[C@H](C)C1 ZINC000174772976 637653890 /nfs/dbraw/zinc/65/38/90/637653890.db2.gz FQWLMRXBZCFOFL-KFWWJZLASA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCO[C@H](C)C2)[C@H](C)C1 ZINC000174772976 637653898 /nfs/dbraw/zinc/65/38/98/637653898.db2.gz FQWLMRXBZCFOFL-KFWWJZLASA-N 2 2 297.443 0.896 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000917224883 637959367 /nfs/dbraw/zinc/95/93/67/637959367.db2.gz XNWOBIILGNJXIV-MCIONIFRSA-N 2 2 297.447 0.014 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000917224883 637959372 /nfs/dbraw/zinc/95/93/72/637959372.db2.gz XNWOBIILGNJXIV-MCIONIFRSA-N 2 2 297.447 0.014 20 0 CCADLP FC(F)(F)CN1CC[C@@H](C[NH2+][C@H]2C[NH2+]CCOC2)C1 ZINC000925479430 638134841 /nfs/dbraw/zinc/13/48/41/638134841.db2.gz ZJWQYGXXGLUETO-QWRGUYRKSA-N 2 2 281.322 0.449 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCF)C1 ZINC000939628039 638386061 /nfs/dbraw/zinc/38/60/61/638386061.db2.gz WHFGDNNQQVDMCO-BXKDBHETSA-N 2 2 268.336 0.667 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@@H]1C ZINC000942518852 638660625 /nfs/dbraw/zinc/66/06/25/638660625.db2.gz YHNIBNYBIAJODV-WCQYABFASA-N 2 2 282.363 0.988 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CCF)C[C@@H]1C ZINC000942518852 638660632 /nfs/dbraw/zinc/66/06/32/638660632.db2.gz YHNIBNYBIAJODV-WCQYABFASA-N 2 2 282.363 0.988 20 0 CCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC([NH2+]CCO)CC1 ZINC000996760038 638831760 /nfs/dbraw/zinc/83/17/60/638831760.db2.gz RULLSEHSJCVYTJ-LBPRGKRZSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@H]([NH2+]CCO)C1 ZINC000999505651 638983609 /nfs/dbraw/zinc/98/36/09/638983609.db2.gz XFZYXHDMBOQQOK-LBPRGKRZSA-N 2 2 288.351 0.749 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N(C)C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC000925345125 638996845 /nfs/dbraw/zinc/99/68/45/638996845.db2.gz OYVGRVNXJDWKRD-FRRDWIJNSA-N 2 2 284.404 0.051 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N(C)C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC000925345125 638996850 /nfs/dbraw/zinc/99/68/50/638996850.db2.gz OYVGRVNXJDWKRD-FRRDWIJNSA-N 2 2 284.404 0.051 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N(C)C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC000925345125 638996856 /nfs/dbraw/zinc/99/68/56/638996856.db2.gz OYVGRVNXJDWKRD-FRRDWIJNSA-N 2 2 284.404 0.051 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N(C)C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC000925345125 638996858 /nfs/dbraw/zinc/99/68/58/638996858.db2.gz OYVGRVNXJDWKRD-FRRDWIJNSA-N 2 2 284.404 0.051 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]([NH2+]CC2CC2)C1 ZINC001000325508 639073344 /nfs/dbraw/zinc/07/33/44/639073344.db2.gz SZAUMICNVMVZGE-LBPRGKRZSA-N 2 2 262.357 0.943 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]([NH2+]CC2CC2)C1 ZINC001000688644 639153167 /nfs/dbraw/zinc/15/31/67/639153167.db2.gz LOQOXYSSHWRTIY-ZDUSSCGKSA-N 2 2 276.384 0.953 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC[NH+](CCO)CC1 ZINC001003652430 639584948 /nfs/dbraw/zinc/58/49/48/639584948.db2.gz MZOWGWAYHNOPJI-CHWSQXEVSA-N 2 2 292.383 0.097 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC1CC[NH+](CCCO)CC1 ZINC001004056545 639668828 /nfs/dbraw/zinc/66/88/28/639668828.db2.gz RGOCVQOHVXRDDD-UHFFFAOYSA-N 2 2 280.372 0.224 20 0 CCADLP C[C@H](C[NH3+])[N@H+](C)C[C@@H](O)COc1ccc(F)cc1 ZINC000923289040 640071407 /nfs/dbraw/zinc/07/14/07/640071407.db2.gz DCNXTTRZGBFFAP-ZYHUDNBSSA-N 2 2 256.321 0.844 20 0 CCADLP C[C@H](C[NH3+])[N@@H+](C)C[C@@H](O)COc1ccc(F)cc1 ZINC000923289040 640071410 /nfs/dbraw/zinc/07/14/10/640071410.db2.gz DCNXTTRZGBFFAP-ZYHUDNBSSA-N 2 2 256.321 0.844 20 0 CCADLP Cc1nc([C@H]2CCC[N@@H+]2C[C@H]2CC3(C[NH2+]C3)CO2)no1 ZINC000923313168 640078611 /nfs/dbraw/zinc/07/86/11/640078611.db2.gz WNFDUZHGUOAJDB-VXGBXAGGSA-N 2 2 278.356 0.893 20 0 CCADLP Cc1nc([C@H]2CCC[N@H+]2C[C@H]2CC3(C[NH2+]C3)CO2)no1 ZINC000923313168 640078615 /nfs/dbraw/zinc/07/86/15/640078615.db2.gz WNFDUZHGUOAJDB-VXGBXAGGSA-N 2 2 278.356 0.893 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)COC1CCOCC1 ZINC000923400241 640122009 /nfs/dbraw/zinc/12/20/09/640122009.db2.gz VBHJHBRFYYUZRU-TZMCWYRMSA-N 2 2 284.400 0.417 20 0 CCADLP [NH3+][C@@]1(CO)CCC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000923473739 640152907 /nfs/dbraw/zinc/15/29/07/640152907.db2.gz VHPWSGBKYXFDPU-KBPBESRZSA-N 2 2 256.390 0.713 20 0 CCADLP [NH3+][C@@]1(CO)CCC[N@@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000923473739 640152910 /nfs/dbraw/zinc/15/29/10/640152910.db2.gz VHPWSGBKYXFDPU-KBPBESRZSA-N 2 2 256.390 0.713 20 0 CCADLP [NH3+][C@]1(CO)CCC[N@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000923474603 640154963 /nfs/dbraw/zinc/15/49/63/640154963.db2.gz UDGJJDAYWAZLNC-LSDHHAIUSA-N 2 2 264.369 0.376 20 0 CCADLP [NH3+][C@]1(CO)CCC[N@@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000923474603 640154965 /nfs/dbraw/zinc/15/49/65/640154965.db2.gz UDGJJDAYWAZLNC-LSDHHAIUSA-N 2 2 264.369 0.376 20 0 CCADLP O[C@@H](Cn1cccn1)C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923536148 640180701 /nfs/dbraw/zinc/18/07/01/640180701.db2.gz MXYIMHUOLYOULV-ZIAGYGMSSA-N 2 2 264.373 0.462 20 0 CCADLP O[C@@H](Cn1cccn1)C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923536148 640180709 /nfs/dbraw/zinc/18/07/09/640180709.db2.gz MXYIMHUOLYOULV-ZIAGYGMSSA-N 2 2 264.373 0.462 20 0 CCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1CC[N@H+](CCO)C1 ZINC001015623576 650595669 /nfs/dbraw/zinc/59/56/69/650595669.db2.gz XPOWVJPNKFCRAE-LBPRGKRZSA-N 2 2 281.356 0.138 20 0 CCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1CC[N@@H+](CCO)C1 ZINC001015623576 650595672 /nfs/dbraw/zinc/59/56/72/650595672.db2.gz XPOWVJPNKFCRAE-LBPRGKRZSA-N 2 2 281.356 0.138 20 0 CCADLP C[C@@H](CC[NH2+]CCS(C)(=O)=O)[NH+]1CCCCC1 ZINC000819231242 641390858 /nfs/dbraw/zinc/39/08/58/641390858.db2.gz RPSJKVHBTAPSHU-LBPRGKRZSA-N 2 2 262.419 0.885 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001015996087 650672243 /nfs/dbraw/zinc/67/22/43/650672243.db2.gz CRPPEDSOEJCUOM-VXGBXAGGSA-N 2 2 280.372 0.188 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001015996087 650672246 /nfs/dbraw/zinc/67/22/46/650672246.db2.gz CRPPEDSOEJCUOM-VXGBXAGGSA-N 2 2 280.372 0.188 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CC[N@H+](CCF)C1 ZINC001016010262 650674621 /nfs/dbraw/zinc/67/46/21/650674621.db2.gz ZLZNPEGQDNJGFI-LLVKDONJSA-N 2 2 280.347 0.921 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CC[N@@H+](CCF)C1 ZINC001016010262 650674623 /nfs/dbraw/zinc/67/46/23/650674623.db2.gz ZLZNPEGQDNJGFI-LLVKDONJSA-N 2 2 280.347 0.921 20 0 CCADLP C[C@@H]1C[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC[N@@H+]1C ZINC000828596271 642108089 /nfs/dbraw/zinc/10/80/89/642108089.db2.gz TZDTZJNGTKALSS-MNOVXSKESA-N 2 2 250.346 0.893 20 0 CCADLP C[C@@H]1C[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC[N@H+]1C ZINC000828596271 642108099 /nfs/dbraw/zinc/10/80/99/642108099.db2.gz TZDTZJNGTKALSS-MNOVXSKESA-N 2 2 250.346 0.893 20 0 CCADLP [NH3+]CCOCC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000829469670 642163221 /nfs/dbraw/zinc/16/32/21/642163221.db2.gz DCRZUHJBVBXEHJ-UHFFFAOYSA-N 2 2 274.324 0.464 20 0 CCADLP O=C(N1CCCC[C@@H]1C[NH+]1CCOCC1)[C@]1(F)CC[NH2+]C1 ZINC000830739405 642288748 /nfs/dbraw/zinc/28/87/48/642288748.db2.gz HJFSPFUORRKVGZ-HIFRSBDPSA-N 2 2 299.390 0.401 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000831193632 642326750 /nfs/dbraw/zinc/32/67/50/642326750.db2.gz ORMIPPCLOMQMIR-LLVKDONJSA-N 2 2 263.345 0.361 20 0 CCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@]1(F)CC[NH2+]C1 ZINC000831443928 642364311 /nfs/dbraw/zinc/36/43/11/642364311.db2.gz REFYITAUQCFNQI-RISCZKNCSA-N 2 2 278.331 0.478 20 0 CCADLP O[C@H](C[NH2+]C[C@@H](O)c1cccnc1)C[NH+]1CCCC1 ZINC000843062831 642984824 /nfs/dbraw/zinc/98/48/24/642984824.db2.gz SKISRXYSDUWVPG-ZIAGYGMSSA-N 2 2 265.357 0.161 20 0 CCADLP O=C(CO[C@H]1CCC[NH2+]C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000844174647 643171104 /nfs/dbraw/zinc/17/11/04/643171104.db2.gz PPVYKNZXIYXQFS-STQMWFEESA-N 2 2 292.383 0.884 20 0 CCADLP C[C@@H](CNC(=O)C[C@H]([NH3+])C1CC1)Cn1cc[nH+]c1 ZINC000844176317 643171470 /nfs/dbraw/zinc/17/14/70/643171470.db2.gz PYFYTCHLMAUPEX-JQWIXIFHSA-N 2 2 250.346 0.763 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)c2cccc(C[NH3+])c2)CCO1 ZINC000844179731 643173284 /nfs/dbraw/zinc/17/32/84/643173284.db2.gz YFOFOYFJWPLDDB-LBPRGKRZSA-N 2 2 277.368 0.596 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)c2cccc(C[NH3+])c2)CCO1 ZINC000844179731 643173292 /nfs/dbraw/zinc/17/32/92/643173292.db2.gz YFOFOYFJWPLDDB-LBPRGKRZSA-N 2 2 277.368 0.596 20 0 CCADLP O=C1OCCN1CCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000846876983 643465372 /nfs/dbraw/zinc/46/53/72/643465372.db2.gz CKRFVZZITIHDEP-UHFFFAOYSA-N 2 2 279.344 0.374 20 0 CCADLP C[S@@](=O)CCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000848528392 643649671 /nfs/dbraw/zinc/64/96/71/643649671.db2.gz LPZUEHSVIRFUJB-AUUYWEPGSA-N 2 2 288.457 0.988 20 0 CCADLP O=C1OCCN1[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000852435698 643964004 /nfs/dbraw/zinc/96/40/04/643964004.db2.gz ADJUHUOILOOXJB-GFCCVEGCSA-N 2 2 264.329 0.800 20 0 CCADLP O=C1OCCN1[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000852435698 643964014 /nfs/dbraw/zinc/96/40/14/643964014.db2.gz ADJUHUOILOOXJB-GFCCVEGCSA-N 2 2 264.329 0.800 20 0 CCADLP Cn1nccc1[C@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000852746739 643993578 /nfs/dbraw/zinc/99/35/78/643993578.db2.gz RBOIEVFETVKBPD-QWHCGFSZSA-N 2 2 264.373 0.588 20 0 CCADLP Cn1nccc1[C@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000852746739 643993585 /nfs/dbraw/zinc/99/35/85/643993585.db2.gz RBOIEVFETVKBPD-QWHCGFSZSA-N 2 2 264.373 0.588 20 0 CCADLP [NH3+]C[C@@H]1CC(C(=O)NCCCNc2cccc[nH+]2)=NO1 ZINC000852859520 644027381 /nfs/dbraw/zinc/02/73/81/644027381.db2.gz WBXHCXBGBDPVFS-JTQLQIEISA-N 2 2 277.328 0.103 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000857114455 644473882 /nfs/dbraw/zinc/47/38/82/644473882.db2.gz OQSOULDKGDBWNQ-LBPRGKRZSA-N 2 2 277.372 0.651 20 0 CCADLP C[C@H]([NH3+])CN(C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000861568447 644893355 /nfs/dbraw/zinc/89/33/55/644893355.db2.gz CJPWWWHUYFLVLN-NSHDSACASA-N 2 2 272.393 0.086 20 0 CCADLP C[C@H]([NH3+])CN(C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000861568447 644893359 /nfs/dbraw/zinc/89/33/59/644893359.db2.gz CJPWWWHUYFLVLN-NSHDSACASA-N 2 2 272.393 0.086 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000861708128 644912704 /nfs/dbraw/zinc/91/27/04/644912704.db2.gz SCRWSOYKIINNJQ-VXGBXAGGSA-N 2 2 277.372 0.671 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001019455908 650974658 /nfs/dbraw/zinc/97/46/58/650974658.db2.gz QRBNYJBODCLIGY-AWEZNQCLSA-N 2 2 295.427 0.842 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]CC2CC2)C1 ZINC001019707468 651000242 /nfs/dbraw/zinc/00/02/42/651000242.db2.gz GGSYBZXATWKPQU-LBPRGKRZSA-N 2 2 262.357 0.861 20 0 CCADLP O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000865141854 645327948 /nfs/dbraw/zinc/32/79/48/645327948.db2.gz XIJHQOHNFDSJBE-JSGCOSHPSA-N 2 2 292.383 0.920 20 0 CCADLP C[C@@H](O)[C@H](O)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000865738794 645408101 /nfs/dbraw/zinc/40/81/01/645408101.db2.gz PXHBMPBSBAIQIV-MWLCHTKSSA-N 2 2 284.322 0.735 20 0 CCADLP C[NH+](C)CCCCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865798606 645421629 /nfs/dbraw/zinc/42/16/29/645421629.db2.gz ZBTZPRQHZPHXEE-AATRIKPKSA-N 2 2 269.389 0.333 20 0 CCADLP Cn1ccc(C[NH2+][C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC001019868983 651011997 /nfs/dbraw/zinc/01/19/97/651011997.db2.gz PDKSMPQYSVVFBU-ZDUSSCGKSA-N 2 2 288.355 0.007 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001020314883 651058877 /nfs/dbraw/zinc/05/88/77/651058877.db2.gz XDJNDHQTSFQSBE-CYDGBPFRSA-N 2 2 292.383 0.063 20 0 CCADLP [NH3+][C@H]1CC[C@H](C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000870895785 646040160 /nfs/dbraw/zinc/04/01/60/646040160.db2.gz BYDFWXMSSYOIEN-KKUMJFAQSA-N 2 2 295.427 0.827 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000870896824 646041183 /nfs/dbraw/zinc/04/11/83/646041183.db2.gz PXCXYUCIHLYYMF-KNCOVGOOSA-N 2 2 293.411 0.437 20 0 CCADLP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000123952077 646208447 /nfs/dbraw/zinc/20/84/47/646208447.db2.gz LAPRDLHCPRYOFW-NEPJUHHUSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000123952077 646208450 /nfs/dbraw/zinc/20/84/50/646208450.db2.gz LAPRDLHCPRYOFW-NEPJUHHUSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872152537 646214819 /nfs/dbraw/zinc/21/48/19/646214819.db2.gz SWWGPRPUYMLISH-GRYCIOLGSA-N 2 2 295.349 0.776 20 0 CCADLP C[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000876516270 646616771 /nfs/dbraw/zinc/61/67/71/646616771.db2.gz ONQLFEIYIMVGRZ-SVDKCWMDSA-N 2 2 281.400 0.379 20 0 CCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876727705 646652292 /nfs/dbraw/zinc/65/22/92/646652292.db2.gz RPUSUVPNCRQHFA-FZMZJTMJSA-N 2 2 294.374 0.826 20 0 CCADLP C[C@@H](CCCC[NH3+])NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876855655 646682819 /nfs/dbraw/zinc/68/28/19/646682819.db2.gz YNPASVNYOMYPOM-AGLBCWCQSA-N 2 2 269.389 0.509 20 0 CCADLP [NH3+]CC[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)C(F)(F)F ZINC000876870434 646687114 /nfs/dbraw/zinc/68/71/14/646687114.db2.gz KOAVMBKGJMGZRB-SYBPUXJVSA-N 2 2 295.305 0.271 20 0 CCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876887992 646691132 /nfs/dbraw/zinc/69/11/32/646691132.db2.gz LTXPKDZUUHRNCS-YRGRVCCFSA-N 2 2 292.358 0.724 20 0 CCADLP [NH3+]C[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)C1CCCC1 ZINC000876913212 646694765 /nfs/dbraw/zinc/69/47/65/646694765.db2.gz ORZFYYYXUUPJAH-ZRFDWSJLSA-N 2 2 281.400 0.509 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)[C@@H](C)CO1 ZINC000876961990 646707769 /nfs/dbraw/zinc/70/77/69/646707769.db2.gz XXAVVNNSTLRHDZ-QNWHQSFQSA-N 2 2 283.416 0.585 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)[C@@H](C)CO1 ZINC000876961990 646707771 /nfs/dbraw/zinc/70/77/71/646707771.db2.gz XXAVVNNSTLRHDZ-QNWHQSFQSA-N 2 2 283.416 0.585 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)/C=C\C[NH+]2CCOCC2)C[NH2+]1 ZINC000877046411 646722258 /nfs/dbraw/zinc/72/22/58/646722258.db2.gz LOORGTVYINIQPD-FAQRPARDSA-N 2 2 267.373 0.132 20 0 CCADLP O=C(/C=C\C[NH+]1CCOCC1)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877246237 646766734 /nfs/dbraw/zinc/76/67/34/646766734.db2.gz SBUMNNUSPMGTQC-NNXVMTBOSA-N 2 2 293.411 0.522 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877327910 646795299 /nfs/dbraw/zinc/79/52/99/646795299.db2.gz ZHVCZBQKMYAZDV-GFCCVEGCSA-N 2 2 292.383 0.536 20 0 CCADLP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC000877371384 646803392 /nfs/dbraw/zinc/80/33/92/646803392.db2.gz PSQJLLVFXAQUKR-ICUOPCATSA-N 2 2 260.341 0.581 20 0 CCADLP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC000877371384 646803395 /nfs/dbraw/zinc/80/33/95/646803395.db2.gz PSQJLLVFXAQUKR-ICUOPCATSA-N 2 2 260.341 0.581 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C1([NH3+])CCCC1 ZINC000877432755 646814685 /nfs/dbraw/zinc/81/46/85/646814685.db2.gz GGLZFORCJYPDRZ-LBPRGKRZSA-N 2 2 269.389 0.485 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C1([NH3+])CCCC1 ZINC000877432755 646814688 /nfs/dbraw/zinc/81/46/88/646814688.db2.gz GGLZFORCJYPDRZ-LBPRGKRZSA-N 2 2 269.389 0.485 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+](CC1CC1)[C@H](C(N)=O)C1CC1)C1CC1 ZINC000879487701 647064886 /nfs/dbraw/zinc/06/48/86/647064886.db2.gz ZMCHLVKOCVCHOH-CABCVRRESA-N 2 2 295.427 0.417 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+](CC1CC1)[C@H](C(N)=O)C1CC1)C1CC1 ZINC000879487701 647064888 /nfs/dbraw/zinc/06/48/88/647064888.db2.gz ZMCHLVKOCVCHOH-CABCVRRESA-N 2 2 295.427 0.417 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+](CC1CC1)[C@H](C(N)=O)C1CC1)C1CC1 ZINC000879487701 647064892 /nfs/dbraw/zinc/06/48/92/647064892.db2.gz ZMCHLVKOCVCHOH-CABCVRRESA-N 2 2 295.427 0.417 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+](CC1CC1)[C@H](C(N)=O)C1CC1)C1CC1 ZINC000879487701 647064896 /nfs/dbraw/zinc/06/48/96/647064896.db2.gz ZMCHLVKOCVCHOH-CABCVRRESA-N 2 2 295.427 0.417 20 0 CCADLP NC(=O)[C@H](C1CC1)[N@H+](C[C@H](O)C[NH+]1CCCC1)CC1CC1 ZINC000879490976 647066322 /nfs/dbraw/zinc/06/63/22/647066322.db2.gz ANGQDPIBUYLLDJ-CABCVRRESA-N 2 2 295.427 0.419 20 0 CCADLP NC(=O)[C@H](C1CC1)[N@@H+](C[C@H](O)C[NH+]1CCCC1)CC1CC1 ZINC000879490976 647066327 /nfs/dbraw/zinc/06/63/27/647066327.db2.gz ANGQDPIBUYLLDJ-CABCVRRESA-N 2 2 295.427 0.419 20 0 CCADLP Nc1cnccc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000882984960 647471665 /nfs/dbraw/zinc/47/16/65/647471665.db2.gz AKYGGNKOXVHBIO-CHWSQXEVSA-N 2 2 262.357 0.617 20 0 CCADLP Nc1cnccc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000882984960 647471666 /nfs/dbraw/zinc/47/16/66/647471666.db2.gz AKYGGNKOXVHBIO-CHWSQXEVSA-N 2 2 262.357 0.617 20 0 CCADLP F[C@@H]1C[NH2+][C@H](CN2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000883429887 647524727 /nfs/dbraw/zinc/52/47/27/647524727.db2.gz HHRSUVJDVMZDQJ-GJZGRUSLSA-N 2 2 278.375 0.899 20 0 CCADLP C[C@H](CNC(=O)[C@H]1C[NH2+]CC1(C)C)Cn1cc[nH+]c1 ZINC000884196668 647663495 /nfs/dbraw/zinc/66/34/95/647663495.db2.gz XPKVBAXDAVWUNL-VXGBXAGGSA-N 2 2 264.373 0.881 20 0 CCADLP [NH3+][C@@H](CC1CC1)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000884211084 647669743 /nfs/dbraw/zinc/66/97/43/647669743.db2.gz SMKSUOCNLYXCDX-CABCVRRESA-N 2 2 295.427 0.827 20 0 CCADLP C[C@H]1C[N@@H+]([C@H]2CC(=O)N(C)C2=O)CCN1c1cc[nH+]cc1 ZINC000887300906 648088494 /nfs/dbraw/zinc/08/84/94/648088494.db2.gz HBZIMHPEEWCSNU-AAEUAGOBSA-N 2 2 288.351 0.349 20 0 CCADLP C[C@H]1C[N@H+]([C@H]2CC(=O)N(C)C2=O)CCN1c1cc[nH+]cc1 ZINC000887300906 648088501 /nfs/dbraw/zinc/08/85/01/648088501.db2.gz HBZIMHPEEWCSNU-AAEUAGOBSA-N 2 2 288.351 0.349 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889769660 648249694 /nfs/dbraw/zinc/24/96/94/648249694.db2.gz MPZFLPYDXRFJLJ-UONOGXRCSA-N 2 2 292.383 0.331 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889769660 648249702 /nfs/dbraw/zinc/24/97/02/648249702.db2.gz MPZFLPYDXRFJLJ-UONOGXRCSA-N 2 2 292.383 0.331 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925551376 648442799 /nfs/dbraw/zinc/44/27/99/648442799.db2.gz XMFHYVYVGZBECQ-GWNLFYIMSA-N 3 2 278.444 0.208 20 0 CCADLP C[C@H](CCS(C)(=O)=O)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925562124 648443742 /nfs/dbraw/zinc/44/37/42/648443742.db2.gz VBMAWNRYJWPUMP-MNOVXSKESA-N 2 2 260.403 0.684 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000925696085 648453916 /nfs/dbraw/zinc/45/39/16/648453916.db2.gz SNKNCDLBQROTDW-GJZGRUSLSA-N 2 2 297.443 0.598 20 0 CCADLP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@H]1CCC[NH2+]1 ZINC000925848298 648466188 /nfs/dbraw/zinc/46/61/88/648466188.db2.gz FCDNBKZXHQIUBB-FRRDWIJNSA-N 3 2 281.400 0.402 20 0 CCADLP C[C@H]1COC[C@H](C)C1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000926749994 648524232 /nfs/dbraw/zinc/52/42/32/648524232.db2.gz OKNRYFQNXFRKEZ-AVGNSLFASA-N 2 2 283.416 0.587 20 0 CCADLP C[C@H]1COC[C@H](C)C1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000926749994 648524235 /nfs/dbraw/zinc/52/42/35/648524235.db2.gz OKNRYFQNXFRKEZ-AVGNSLFASA-N 2 2 283.416 0.587 20 0 CCADLP O[C@@H]1CCN(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000926766455 648525236 /nfs/dbraw/zinc/52/52/36/648525236.db2.gz FCTYBUKGEOBYND-RBSFLKMASA-N 2 2 267.417 0.660 20 0 CCADLP O[C@@H]1CCN(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000926766455 648525237 /nfs/dbraw/zinc/52/52/37/648525237.db2.gz FCTYBUKGEOBYND-RBSFLKMASA-N 2 2 267.417 0.660 20 0 CCADLP C[C@H](O)[C@H](O)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000929287335 648724605 /nfs/dbraw/zinc/72/46/05/648724605.db2.gz NHVWFISNQQBKPS-GXTWGEPZSA-N 2 2 256.390 0.678 20 0 CCADLP OC[C@H](O)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000930615261 648881538 /nfs/dbraw/zinc/88/15/38/648881538.db2.gz PDKAUBKZRSBKOB-OAHLLOKOSA-N 2 2 264.369 0.594 20 0 CCADLP Cc1[nH]c(CN2C[C@H](C)[N@@H+](CCO)C[C@H]2C)c(C)[nH+]1 ZINC000930742714 648898890 /nfs/dbraw/zinc/89/88/90/648898890.db2.gz ITNRWWFZBWOWLJ-WDEREUQCSA-N 2 2 266.389 0.913 20 0 CCADLP Cc1[nH]c(CN2C[C@H](C)[N@H+](CCO)C[C@H]2C)c(C)[nH+]1 ZINC000930742714 648898891 /nfs/dbraw/zinc/89/88/91/648898891.db2.gz ITNRWWFZBWOWLJ-WDEREUQCSA-N 2 2 266.389 0.913 20 0 CCADLP C[C@@](O)(C[C@@H](O)C[N@@H+]1CCc2[nH+]ccc(N)c2C1)C1CC1 ZINC000931516849 648999485 /nfs/dbraw/zinc/99/94/85/648999485.db2.gz PNPDUTGOBIVXQI-MLGOLLRUSA-N 2 2 291.395 0.934 20 0 CCADLP C[C@@](O)(C[C@@H](O)C[N@H+]1CCc2[nH+]ccc(N)c2C1)C1CC1 ZINC000931516849 648999489 /nfs/dbraw/zinc/99/94/89/648999489.db2.gz PNPDUTGOBIVXQI-MLGOLLRUSA-N 2 2 291.395 0.934 20 0 CCADLP C[C@H]1CC[NH+](CC(O)C[N@@H+]2CCO[C@@H](C)CC2)CCO1 ZINC000932347975 649068052 /nfs/dbraw/zinc/06/80/52/649068052.db2.gz PQZAIAAETOYQAU-KBPBESRZSA-N 2 2 286.416 0.569 20 0 CCADLP C[C@H]1CC[NH+](CC(O)C[N@H+]2CCO[C@@H](C)CC2)CCO1 ZINC000932347975 649068056 /nfs/dbraw/zinc/06/80/56/649068056.db2.gz PQZAIAAETOYQAU-KBPBESRZSA-N 2 2 286.416 0.569 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC2(CCNC(=O)O2)CC1)C1CC1 ZINC000932759287 649089115 /nfs/dbraw/zinc/08/91/15/649089115.db2.gz KYBZFZNWOOBMNA-CYBMUJFWSA-N 2 2 297.399 0.406 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC2(CCNC(=O)O2)CC1)C1CC1 ZINC000932759287 649089116 /nfs/dbraw/zinc/08/91/16/649089116.db2.gz KYBZFZNWOOBMNA-CYBMUJFWSA-N 2 2 297.399 0.406 20 0 CCADLP COC[C@@H](C)[NH+]1CCC(N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC001006476867 649541601 /nfs/dbraw/zinc/54/16/01/649541601.db2.gz WIZJKPBOBOWRDN-CYBMUJFWSA-N 2 2 294.399 0.841 20 0 CCADLP CN(C)c1[nH+]cc(CNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1C ZINC000091666355 649708504 /nfs/dbraw/zinc/70/85/04/649708504.db2.gz UTEVWCUEHGGVLH-TZMCWYRMSA-N 2 2 293.415 0.439 20 0 CCADLP CN(C)c1[nH+]cc(CNC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1C ZINC000091666355 649708507 /nfs/dbraw/zinc/70/85/07/649708507.db2.gz UTEVWCUEHGGVLH-TZMCWYRMSA-N 2 2 293.415 0.439 20 0 CCADLP COCC[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000250368637 649763529 /nfs/dbraw/zinc/76/35/29/649763529.db2.gz HIMKSCBFDLSZID-GJZGRUSLSA-N 2 2 291.395 0.866 20 0 CCADLP COCC[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000250368637 649763533 /nfs/dbraw/zinc/76/35/33/649763533.db2.gz HIMKSCBFDLSZID-GJZGRUSLSA-N 2 2 291.395 0.866 20 0 CCADLP CCCN(CCC)c1cc(N2C[C@@H](O)[C@@H]([NH3+])C2)nc[nH+]1 ZINC001167092768 790531983 /nfs/dbraw/zinc/53/19/83/790531983.db2.gz QPVLKOWZUZKAGL-NWDGAFQWSA-N 2 2 279.388 0.611 20 0 CCADLP C[C@H](CC[NH+](C)C)[NH2+]CC1CCS(=O)(=O)CC1 ZINC000693014247 790638007 /nfs/dbraw/zinc/63/80/07/790638007.db2.gz YHSIQFKGWCOOHS-LLVKDONJSA-N 2 2 262.419 0.741 20 0 CCADLP C[N@@H+]1CCC[C@@H](C[NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC000693014113 790638470 /nfs/dbraw/zinc/63/84/70/790638470.db2.gz NPROAEXXSPCFEA-ZDUSSCGKSA-N 2 2 274.430 0.743 20 0 CCADLP C[N@H+]1CCC[C@@H](C[NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC000693014113 790638478 /nfs/dbraw/zinc/63/84/78/790638478.db2.gz NPROAEXXSPCFEA-ZDUSSCGKSA-N 2 2 274.430 0.743 20 0 CCADLP C[N@@H+]1CC[C@H](Nc2cc[nH+]c(N3CCC([NH3+])CC3)n2)C1 ZINC001167272980 790767104 /nfs/dbraw/zinc/76/71/04/790767104.db2.gz LCDHQBLINZDGKF-LBPRGKRZSA-N 3 2 276.388 0.520 20 0 CCADLP C[N@H+]1CC[C@H](Nc2cc[nH+]c(N3CCC([NH3+])CC3)n2)C1 ZINC001167272980 790767112 /nfs/dbraw/zinc/76/71/12/790767112.db2.gz LCDHQBLINZDGKF-LBPRGKRZSA-N 3 2 276.388 0.520 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O)C1CC1 ZINC000693166701 790901108 /nfs/dbraw/zinc/90/11/08/790901108.db2.gz OGQBPBFJUBJACP-XQLPTFJDSA-N 2 2 282.428 0.923 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O)C1CC1 ZINC000693166701 790901117 /nfs/dbraw/zinc/90/11/17/790901117.db2.gz OGQBPBFJUBJACP-XQLPTFJDSA-N 2 2 282.428 0.923 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O)C1CC1 ZINC000693166701 790901127 /nfs/dbraw/zinc/90/11/27/790901127.db2.gz OGQBPBFJUBJACP-XQLPTFJDSA-N 2 2 282.428 0.923 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O)C1CC1 ZINC000693166701 790901135 /nfs/dbraw/zinc/90/11/35/790901135.db2.gz OGQBPBFJUBJACP-XQLPTFJDSA-N 2 2 282.428 0.923 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCCC1(C[NH2+]CCF)CC1 ZINC001167333562 790909007 /nfs/dbraw/zinc/90/90/07/790909007.db2.gz GMFVHHNYYHHHQI-UHFFFAOYSA-N 2 2 268.336 0.798 20 0 CCADLP Cc1cc(C[NH2+]CCCNC(=O)Cc2c[nH]c[nH+]2)nn1C ZINC001167355369 790957260 /nfs/dbraw/zinc/95/72/60/790957260.db2.gz DNTNDKGKUUWYNR-UHFFFAOYSA-N 2 2 290.371 0.290 20 0 CCADLP C[NH+](C)CCN1CC[NH+](Cc2cccc(=O)[nH]2)CC1 ZINC001207065353 790973807 /nfs/dbraw/zinc/97/38/07/790973807.db2.gz OMAUGRMLUMJYDL-UHFFFAOYSA-N 2 2 264.373 0.466 20 0 CCADLP CCN(C(=O)[C@@H]1CC[NH2+][C@@H](C(=O)OC)C1)[C@@H]1CCC[NH2+]C1 ZINC001161331372 791107840 /nfs/dbraw/zinc/10/78/40/791107840.db2.gz WUXJOLZIPAYZLC-JHJVBQTASA-N 2 2 297.399 0.128 20 0 CCADLP COC(=O)[C@H](O)C[NH2+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000398326607 791116815 /nfs/dbraw/zinc/11/68/15/791116815.db2.gz AXOMLKJDZISFNC-BARDWOONSA-N 2 2 290.363 0.240 20 0 CCADLP COC(=O)[C@H](O)C[NH2+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000398326607 791116820 /nfs/dbraw/zinc/11/68/20/791116820.db2.gz AXOMLKJDZISFNC-BARDWOONSA-N 2 2 290.363 0.240 20 0 CCADLP Cc1[nH+]c(N)ccc1CN1CCOC[C@H]1C[NH+](C)C ZINC001232342249 805924133 /nfs/dbraw/zinc/92/41/33/805924133.db2.gz KTOZHTMPFLDPOD-CYBMUJFWSA-N 2 2 264.373 0.735 20 0 CCADLP C[NH+]1CCN(c2ccc(C[NH+]3CC(CO)C3)cn2)CC1 ZINC001232366970 805928450 /nfs/dbraw/zinc/92/84/50/805928450.db2.gz WDMIADISOLWVNV-UHFFFAOYSA-N 2 2 276.384 0.258 20 0 CCADLP CC[N@@H+]1CCO[C@@H]2CN(Cc3c[nH+]c(C)[nH]3)C[C@@H]2C1 ZINC001232459102 805942214 /nfs/dbraw/zinc/94/22/14/805942214.db2.gz ASQFZGJLIBGIFL-GXTWGEPZSA-N 2 2 264.373 0.871 20 0 CCADLP CC[N@H+]1CCO[C@@H]2CN(Cc3c[nH+]c(C)[nH]3)C[C@@H]2C1 ZINC001232459102 805942219 /nfs/dbraw/zinc/94/22/19/805942219.db2.gz ASQFZGJLIBGIFL-GXTWGEPZSA-N 2 2 264.373 0.871 20 0 CCADLP CC[N@@H+]1CCO[C@@H]2CN(Cc3c[nH]c(C)[nH+]3)C[C@@H]2C1 ZINC001232459102 805942224 /nfs/dbraw/zinc/94/22/24/805942224.db2.gz ASQFZGJLIBGIFL-GXTWGEPZSA-N 2 2 264.373 0.871 20 0 CCADLP CC[N@H+]1CCO[C@@H]2CN(Cc3c[nH]c(C)[nH+]3)C[C@@H]2C1 ZINC001232459102 805942226 /nfs/dbraw/zinc/94/22/26/805942226.db2.gz ASQFZGJLIBGIFL-GXTWGEPZSA-N 2 2 264.373 0.871 20 0 CCADLP Cc1ncc(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)[nH]1 ZINC001232459326 805941982 /nfs/dbraw/zinc/94/19/82/805941982.db2.gz CJDRRWPHNLCBMZ-LSDHHAIUSA-N 2 2 277.416 0.928 20 0 CCADLP Cc1ncc(C[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)[nH]1 ZINC001232459326 805941987 /nfs/dbraw/zinc/94/19/87/805941987.db2.gz CJDRRWPHNLCBMZ-LSDHHAIUSA-N 2 2 277.416 0.928 20 0 CCADLP Cc1nc(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c[nH]1 ZINC001232459326 805941992 /nfs/dbraw/zinc/94/19/92/805941992.db2.gz CJDRRWPHNLCBMZ-LSDHHAIUSA-N 2 2 277.416 0.928 20 0 CCADLP Cc1nc(C[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c[nH]1 ZINC001232459326 805941995 /nfs/dbraw/zinc/94/19/95/805941995.db2.gz CJDRRWPHNLCBMZ-LSDHHAIUSA-N 2 2 277.416 0.928 20 0 CCADLP [NH3+]Cc1cnn(-c2ccc(Cn3cc[nH+]c3)cn2)c1 ZINC001168257151 814927048 /nfs/dbraw/zinc/92/70/48/814927048.db2.gz ONUJIOZRPSMXIO-UHFFFAOYSA-N 2 2 254.297 0.971 20 0 CCADLP CN(C)C(=O)C[N@H+]1C[C@H]2C[C@@H](C1)N2c1cc[nH+]cc1 ZINC001277693718 805964269 /nfs/dbraw/zinc/96/42/69/805964269.db2.gz KAKCEGFPCVCUSD-BETUJISGSA-N 2 2 260.341 0.433 20 0 CCADLP CN(C)C(=O)C[N@@H+]1C[C@H]2C[C@@H](C1)N2c1cc[nH+]cc1 ZINC001277693718 805964275 /nfs/dbraw/zinc/96/42/75/805964275.db2.gz KAKCEGFPCVCUSD-BETUJISGSA-N 2 2 260.341 0.433 20 0 CCADLP CC(C)[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001266730786 791195646 /nfs/dbraw/zinc/19/56/46/791195646.db2.gz GODADVJRKANZJR-GHMZBOCLSA-N 2 2 250.346 0.970 20 0 CCADLP CC(C)[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001266730786 791195638 /nfs/dbraw/zinc/19/56/38/791195638.db2.gz GODADVJRKANZJR-GHMZBOCLSA-N 2 2 250.346 0.970 20 0 CCADLP CCC[NH2+]CCN(C)C(=O)CCc1[nH+]ccn1C ZINC001266785400 791235858 /nfs/dbraw/zinc/23/58/58/791235858.db2.gz NMTIPDYOQRPVEN-UHFFFAOYSA-N 2 2 252.362 0.811 20 0 CCADLP CN(CC[NH2+]CCF)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001266838911 791280161 /nfs/dbraw/zinc/28/01/61/791280161.db2.gz DGXZJYOAZQEATB-GHMZBOCLSA-N 2 2 268.336 0.541 20 0 CCADLP CC(C)[C@@H](C(=O)N(C)CC[NH2+]Cc1ncccn1)[NH+](C)C ZINC001267005276 791436786 /nfs/dbraw/zinc/43/67/86/791436786.db2.gz ZRWXQHYGUSBEKY-AWEZNQCLSA-N 2 2 293.415 0.611 20 0 CCADLP CC(C)[C@H](C(=O)N(C)CC[NH2+]Cc1ncccn1)[NH+](C)C ZINC001267005277 791436939 /nfs/dbraw/zinc/43/69/39/791436939.db2.gz ZRWXQHYGUSBEKY-CQSZACIVSA-N 2 2 293.415 0.611 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H](C[NH2+]CCCO)C1 ZINC001267068714 791495818 /nfs/dbraw/zinc/49/58/18/791495818.db2.gz ZWKMWXOHGGDDLN-CYBMUJFWSA-N 2 2 294.399 0.173 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cccc(C[NH3+])c1 ZINC000049503909 791576947 /nfs/dbraw/zinc/57/69/47/791576947.db2.gz USHXOZRTCLHIGK-LBPRGKRZSA-N 2 2 277.368 0.596 20 0 CCADLP C[C@H](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CCCO ZINC001267134575 791579634 /nfs/dbraw/zinc/57/96/34/791579634.db2.gz WFIDJGQWJBDLRG-OLZOCXBDSA-N 2 2 294.399 0.312 20 0 CCADLP C[C@@H](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CCCO ZINC001267134577 791580248 /nfs/dbraw/zinc/58/02/48/791580248.db2.gz WFIDJGQWJBDLRG-STQMWFEESA-N 2 2 294.399 0.312 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724593524 791612026 /nfs/dbraw/zinc/61/20/26/791612026.db2.gz FRTQFVDJEFFPMK-DGTMBMJNSA-N 2 2 270.373 0.147 20 0 CCADLP C[NH+]1CCN(c2ncc(NCc3cc[nH+]c(N)c3)cn2)CC1 ZINC001167617483 791635218 /nfs/dbraw/zinc/63/52/18/791635218.db2.gz OJGRXGJHWSRULW-UHFFFAOYSA-N 2 2 299.382 0.818 20 0 CCADLP COC(=O)C[NH+]1CCC2(CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC001277820591 806156292 /nfs/dbraw/zinc/15/62/92/806156292.db2.gz ALBVIIAHHIXYJQ-UHFFFAOYSA-N 2 2 292.383 0.871 20 0 CCADLP COC(=O)C[NH+]1CCC2(CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC001277820591 806156295 /nfs/dbraw/zinc/15/62/95/806156295.db2.gz ALBVIIAHHIXYJQ-UHFFFAOYSA-N 2 2 292.383 0.871 20 0 CCADLP c1[nH+]c(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c2ccccn12 ZINC001234990387 806334514 /nfs/dbraw/zinc/33/45/14/806334514.db2.gz SHUBJDIDBWTFMJ-OAHLLOKOSA-N 3 2 271.368 0.472 20 0 CCADLP Oc1c(F)ccc(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c1F ZINC001234994640 806339933 /nfs/dbraw/zinc/33/99/33/806339933.db2.gz YOXYKPQFUJEZHY-CQSZACIVSA-N 2 2 283.322 0.808 20 0 CCADLP c1cc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc2c1COC2 ZINC001235054927 806358136 /nfs/dbraw/zinc/35/81/36/806358136.db2.gz YHZZDUZMKAAIMC-INIZCTEOSA-N 2 2 273.380 0.854 20 0 CCADLP c1cc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc2c1COC2 ZINC001235054927 806358146 /nfs/dbraw/zinc/35/81/46/806358146.db2.gz YHZZDUZMKAAIMC-INIZCTEOSA-N 2 2 273.380 0.854 20 0 CCADLP CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001277938692 806409698 /nfs/dbraw/zinc/40/96/98/806409698.db2.gz WKZFXPAIIVCLBO-QJPTWQEYSA-N 2 2 264.373 0.980 20 0 CCADLP [NH3+]CC[NH+]1CCC2(CCN(Cc3ccccn3)C2=O)CC1 ZINC001235494959 806434635 /nfs/dbraw/zinc/43/46/35/806434635.db2.gz UTEMSJONTDZUME-UHFFFAOYSA-N 2 2 288.395 0.855 20 0 CCADLP OCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001235534825 806446639 /nfs/dbraw/zinc/44/66/39/806446639.db2.gz AFMDNYVTZBBGNX-OKILXGFUSA-N 2 2 261.369 0.828 20 0 CCADLP OCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001235534825 806446643 /nfs/dbraw/zinc/44/66/43/806446643.db2.gz AFMDNYVTZBBGNX-OKILXGFUSA-N 2 2 261.369 0.828 20 0 CCADLP OCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001235534825 806446649 /nfs/dbraw/zinc/44/66/49/806446649.db2.gz AFMDNYVTZBBGNX-OKILXGFUSA-N 2 2 261.369 0.828 20 0 CCADLP OCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001235534825 806446653 /nfs/dbraw/zinc/44/66/53/806446653.db2.gz AFMDNYVTZBBGNX-OKILXGFUSA-N 2 2 261.369 0.828 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1CC[C@H]2OCC[C@@H](C(=O)N(C)C)[C@@H]2C1 ZINC001235549907 806452645 /nfs/dbraw/zinc/45/26/45/806452645.db2.gz MRPUIOFHXCWLIH-QNWHQSFQSA-N 2 2 269.389 0.149 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1CC[C@H]2OCC[C@@H](C(=O)N(C)C)[C@@H]2C1 ZINC001235549907 806452651 /nfs/dbraw/zinc/45/26/51/806452651.db2.gz MRPUIOFHXCWLIH-QNWHQSFQSA-N 2 2 269.389 0.149 20 0 CCADLP [NH3+]CC[N@@H+]1CC[C@H]2[C@@H](CC(=O)NC3CCC3)OC[C@H]2C1 ZINC001235605110 806470546 /nfs/dbraw/zinc/47/05/46/806470546.db2.gz JAPMPTHORFLFIY-MRVWCRGKSA-N 2 2 281.400 0.341 20 0 CCADLP [NH3+]CC[N@H+]1CC[C@H]2[C@@H](CC(=O)NC3CCC3)OC[C@H]2C1 ZINC001235605110 806470554 /nfs/dbraw/zinc/47/05/54/806470554.db2.gz JAPMPTHORFLFIY-MRVWCRGKSA-N 2 2 281.400 0.341 20 0 CCADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](CCCCO)C[C@H]3C2)cn1 ZINC001235598638 806469901 /nfs/dbraw/zinc/46/99/01/806469901.db2.gz VLWGFNJMQNNVEK-CVEARBPZSA-N 2 2 292.427 0.946 20 0 CCADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](CCCCO)C[C@H]3C2)cn1 ZINC001235598638 806469908 /nfs/dbraw/zinc/46/99/08/806469908.db2.gz VLWGFNJMQNNVEK-CVEARBPZSA-N 2 2 292.427 0.946 20 0 CCADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](CCCCO)C[C@H]3C2)cn1 ZINC001235598638 806469915 /nfs/dbraw/zinc/46/99/15/806469915.db2.gz VLWGFNJMQNNVEK-CVEARBPZSA-N 2 2 292.427 0.946 20 0 CCADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](CCCCO)C[C@H]3C2)cn1 ZINC001235598638 806469918 /nfs/dbraw/zinc/46/99/18/806469918.db2.gz VLWGFNJMQNNVEK-CVEARBPZSA-N 2 2 292.427 0.946 20 0 CCADLP [NH3+]CC[N@@H+]1C[C@@H]2COC[C@@H](CC(=O)N3CCCCO3)[C@@H]2C1 ZINC001235638891 806478414 /nfs/dbraw/zinc/47/84/14/806478414.db2.gz PAQPGNFTRHKJDW-MCIONIFRSA-N 2 2 297.399 0.084 20 0 CCADLP [NH3+]CC[N@H+]1C[C@@H]2COC[C@@H](CC(=O)N3CCCCO3)[C@@H]2C1 ZINC001235638891 806478420 /nfs/dbraw/zinc/47/84/20/806478420.db2.gz PAQPGNFTRHKJDW-MCIONIFRSA-N 2 2 297.399 0.084 20 0 CCADLP OCCC[N@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001235638217 806479386 /nfs/dbraw/zinc/47/93/86/806479386.db2.gz XAHZJLMFRDTPJF-UHFFFAOYSA-N 2 2 293.415 0.505 20 0 CCADLP OCCC[N@@H+]1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001235638217 806479391 /nfs/dbraw/zinc/47/93/91/806479391.db2.gz XAHZJLMFRDTPJF-UHFFFAOYSA-N 2 2 293.415 0.505 20 0 CCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235982705 806523153 /nfs/dbraw/zinc/52/31/53/806523153.db2.gz WSAUXBSFKQFKDO-PRHODGIISA-N 2 2 250.302 0.119 20 0 CCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235982705 806523159 /nfs/dbraw/zinc/52/31/59/806523159.db2.gz WSAUXBSFKQFKDO-PRHODGIISA-N 2 2 250.302 0.119 20 0 CCADLP COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C2 ZINC001236043063 806534443 /nfs/dbraw/zinc/53/44/43/806534443.db2.gz VOYMGLWNRVITQE-RNJOBUHISA-N 2 2 282.384 0.984 20 0 CCADLP COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C2 ZINC001236043063 806534449 /nfs/dbraw/zinc/53/44/49/806534449.db2.gz VOYMGLWNRVITQE-RNJOBUHISA-N 2 2 282.384 0.984 20 0 CCADLP C[NH+]1CC2(C1)CC[NH+](C[C@@H]1C[NH2+]C(C)(C)O1)CC2 ZINC001236089362 806543366 /nfs/dbraw/zinc/54/33/66/806543366.db2.gz QXHRAQYVYXIWKX-LBPRGKRZSA-N 3 2 253.390 0.739 20 0 CCADLP CC[C@@H]([NH3+])CN(CC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001236398780 806589178 /nfs/dbraw/zinc/58/91/78/806589178.db2.gz JNHNUIKMHCVYKI-MRXNPFEDSA-N 3 2 298.475 0.358 20 0 CCADLP CC[NH2+]CCN(CC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001236399748 806589804 /nfs/dbraw/zinc/58/98/04/806589804.db2.gz QNVLGXFDBMIAES-UHFFFAOYSA-N 3 2 298.475 0.230 20 0 CCADLP CC[NH2+]CC[N@H+](CCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001236399748 806589814 /nfs/dbraw/zinc/58/98/14/806589814.db2.gz QNVLGXFDBMIAES-UHFFFAOYSA-N 3 2 298.475 0.230 20 0 CCADLP CC[NH2+]CC[N@@H+](CCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001236399748 806589823 /nfs/dbraw/zinc/58/98/23/806589823.db2.gz QNVLGXFDBMIAES-UHFFFAOYSA-N 3 2 298.475 0.230 20 0 CCADLP CN1CC[NH+](CCCN2CC[C@H]3[C@@H]2CC[N@@H+]3C)CC1 ZINC001278117186 806690043 /nfs/dbraw/zinc/69/00/43/806690043.db2.gz MXNLDUQHBHYUPS-GJZGRUSLSA-N 2 2 266.433 0.402 20 0 CCADLP CN1CC[NH+](CCCN2CC[C@H]3[C@@H]2CC[N@H+]3C)CC1 ZINC001278117186 806690046 /nfs/dbraw/zinc/69/00/46/806690046.db2.gz MXNLDUQHBHYUPS-GJZGRUSLSA-N 2 2 266.433 0.402 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NC1CC2(C1)CC([NH2+]CCO)C2 ZINC001121034004 798986048 /nfs/dbraw/zinc/98/60/48/798986048.db2.gz WOXWPQRHIVQGFR-UHFFFAOYSA-N 2 2 292.383 0.352 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCCC[NH2+]1 ZINC001122175299 799162089 /nfs/dbraw/zinc/16/20/89/799162089.db2.gz YRGJARZWMOBCHP-CHWSQXEVSA-N 2 2 269.389 0.356 20 0 CCADLP O=c1cc[nH]cc1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001237849224 806726373 /nfs/dbraw/zinc/72/63/73/806726373.db2.gz RVYBLPRXVLHXLW-UHFFFAOYSA-N 2 2 290.411 0.588 20 0 CCADLP OC[C@@H]1C[N@H+](Cc2cccc3c[nH+]cn32)CC[C@@H]1O ZINC001238107197 806750331 /nfs/dbraw/zinc/75/03/31/806750331.db2.gz ONSSBVNVJQSETF-FZMZJTMJSA-N 2 2 261.325 0.509 20 0 CCADLP OC[C@@H]1C[N@@H+](Cc2cccc3c[nH+]cn32)CC[C@@H]1O ZINC001238107197 806750336 /nfs/dbraw/zinc/75/03/36/806750336.db2.gz ONSSBVNVJQSETF-FZMZJTMJSA-N 2 2 261.325 0.509 20 0 CCADLP COCC[NH2+]C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001202855654 799746646 /nfs/dbraw/zinc/74/66/46/799746646.db2.gz LDJHQXWEIHJGKS-LBPRGKRZSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[NH2+]C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001202855654 799746650 /nfs/dbraw/zinc/74/66/50/799746650.db2.gz LDJHQXWEIHJGKS-LBPRGKRZSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139320125 799803833 /nfs/dbraw/zinc/80/38/33/799803833.db2.gz PKZZWZHSSAMPMO-VXGBXAGGSA-N 2 2 296.440 0.850 20 0 CCADLP C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001139320125 799803841 /nfs/dbraw/zinc/80/38/41/799803841.db2.gz PKZZWZHSSAMPMO-VXGBXAGGSA-N 2 2 296.440 0.850 20 0 CCADLP C[NH+]1CC2(C1)CC[NH+](CC1C(=O)N=CNC1=O)CC2 ZINC001140472857 799915908 /nfs/dbraw/zinc/91/59/08/799915908.db2.gz HVORVLHUNRKXLJ-UHFFFAOYSA-N 2 2 264.329 0.415 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H](C[NH2+]CCO)C1CCCC1 ZINC001278242117 806788223 /nfs/dbraw/zinc/78/82/23/806788223.db2.gz USAHHQHVNJMQSL-CQSZACIVSA-N 2 2 294.399 0.599 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H](C[NH2+]CCO)C1CCCC1 ZINC001278242117 806788226 /nfs/dbraw/zinc/78/82/26/806788226.db2.gz USAHHQHVNJMQSL-CQSZACIVSA-N 2 2 294.399 0.599 20 0 CCADLP O=C(NCCC[NH2+]CCCF)[C@H]1CCn2c[nH+]cc2C1 ZINC001161209544 799981423 /nfs/dbraw/zinc/98/14/23/799981423.db2.gz PTTXBZGNGXFEMV-LBPRGKRZSA-N 2 2 282.363 0.901 20 0 CCADLP CC[N@@H+]1CCCO[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001150054430 800313540 /nfs/dbraw/zinc/31/35/40/800313540.db2.gz UARYAMLLGOZQSK-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP CC[N@H+]1CCCO[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001150054430 800313545 /nfs/dbraw/zinc/31/35/45/800313545.db2.gz UARYAMLLGOZQSK-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)C[NH+]2CCCC2)s1 ZINC001151097182 800397371 /nfs/dbraw/zinc/39/73/71/800397371.db2.gz KPGNJWOBODNALB-UHFFFAOYSA-N 2 2 283.401 0.148 20 0 CCADLP CCc1nnc([C@H](C)[NH2+]CCNC(=O)C[NH+]2CCCC2)o1 ZINC001151101107 800399563 /nfs/dbraw/zinc/39/95/63/800399563.db2.gz LXTGZHMRADEQBS-NSHDSACASA-N 2 2 295.387 0.495 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)C[NH+]2CCCC2)oc1C ZINC001151115704 800401234 /nfs/dbraw/zinc/40/12/34/800401234.db2.gz ZUUSHYYOUGNRMA-UHFFFAOYSA-N 2 2 280.372 0.593 20 0 CCADLP CCn1ccnc1C[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151146976 800403867 /nfs/dbraw/zinc/40/38/67/800403867.db2.gz BHSGDVNRCOVQCM-UHFFFAOYSA-N 2 2 290.371 0.314 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+][C@H]2COC3(C2)CC[NH2+]CC3)C[NH2+]1 ZINC001246172540 807174613 /nfs/dbraw/zinc/17/46/13/807174613.db2.gz HRXYNYSLCWJVBO-FRRDWIJNSA-N 3 2 253.390 0.628 20 0 CCADLP O=C(NCC[NH2+]CCCF)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001151815621 800461149 /nfs/dbraw/zinc/46/11/49/800461149.db2.gz XCSWDAKRQNOMLQ-CYBMUJFWSA-N 2 2 287.379 0.163 20 0 CCADLP CC(C)[C@H](C(=O)NCC[NH2+]Cc1cnon1)[NH+]1CCCC1 ZINC001152480514 800527769 /nfs/dbraw/zinc/52/77/69/800527769.db2.gz VUXRRUDAEXYUAJ-CYBMUJFWSA-N 2 2 295.387 0.396 20 0 CCADLP C[NH+](C)[C@H](C(=O)NCC[NH2+]CCF)c1cccnc1 ZINC001152617959 800542762 /nfs/dbraw/zinc/54/27/62/800542762.db2.gz GWWBVDFCLKZSKO-LBPRGKRZSA-N 2 2 268.336 0.360 20 0 CCADLP CC[N@H+](CCO)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001154539992 800796857 /nfs/dbraw/zinc/79/68/57/800796857.db2.gz DZYYVYBLNIROKE-GFCCVEGCSA-N 2 2 268.361 0.092 20 0 CCADLP CC[N@@H+](CCO)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001154539992 800796861 /nfs/dbraw/zinc/79/68/61/800796861.db2.gz DZYYVYBLNIROKE-GFCCVEGCSA-N 2 2 268.361 0.092 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNc2nccc(C3CC[NH2+]CC3)n2)C1 ZINC001155196972 800930144 /nfs/dbraw/zinc/93/01/44/800930144.db2.gz HIIDSBKETJPDLB-ZDUSSCGKSA-N 2 2 291.399 0.686 20 0 CCADLP C[N@H+]1CCO[C@@H](CNc2nccc(C3CC[NH2+]CC3)n2)C1 ZINC001155196972 800930145 /nfs/dbraw/zinc/93/01/45/800930145.db2.gz HIIDSBKETJPDLB-ZDUSSCGKSA-N 2 2 291.399 0.686 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2cscn2)C1 ZINC001156125007 801113617 /nfs/dbraw/zinc/11/36/17/801113617.db2.gz DUBBOJVYWLRLGO-GFCCVEGCSA-N 2 2 298.412 0.070 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]Cc2cscn2)C1 ZINC001156125007 801113620 /nfs/dbraw/zinc/11/36/20/801113620.db2.gz DUBBOJVYWLRLGO-GFCCVEGCSA-N 2 2 298.412 0.070 20 0 CCADLP C[C@@H](CCO)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001156452495 801167836 /nfs/dbraw/zinc/16/78/36/801167836.db2.gz UQRMWZFQSDKXHD-NSHDSACASA-N 2 2 250.346 0.674 20 0 CCADLP Cn1cc[nH+]c1CCNC(=O)[C@@H]([NH3+])CC1CCC1 ZINC001157422773 801377786 /nfs/dbraw/zinc/37/77/86/801377786.db2.gz NYZPNDFZAXYPHP-NSHDSACASA-N 2 2 250.346 0.596 20 0 CCADLP CCN(c1nc(Cl)nc2c1CC[NH2+]C2)C1C[NH+](C)C1 ZINC001157455210 801389959 /nfs/dbraw/zinc/38/99/59/801389959.db2.gz CSZQKEMREBAAQE-UHFFFAOYSA-N 2 2 281.791 0.916 20 0 CCADLP CCN(CCn1cc[nH+]c1)c1ncnc2c1C[NH2+]C2 ZINC001157459953 801390083 /nfs/dbraw/zinc/39/00/83/801390083.db2.gz OFNCGCBRSHFRIV-UHFFFAOYSA-N 2 2 258.329 0.803 20 0 CCADLP CN(CC(F)(F)F)C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001157519292 801404912 /nfs/dbraw/zinc/40/49/12/801404912.db2.gz MOMHABXTBCWQLN-ZETCQYMHSA-N 2 2 250.224 0.300 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC2(C1)CC(F)(F)C2 ZINC001157522276 801405853 /nfs/dbraw/zinc/40/58/53/801405853.db2.gz QKXKENZRWZUCPK-SECBINFHSA-N 2 2 270.283 0.537 20 0 CCADLP c1nc(N2C[C@@H]3C[NH2+][C@@H]3C2)cc(N2CCSCC2)[nH+]1 ZINC001157623450 801437600 /nfs/dbraw/zinc/43/76/00/801437600.db2.gz BROPYBHZKJISKJ-WDEREUQCSA-N 2 2 277.397 0.438 20 0 CCADLP O=C(N1CCCC(F)(F)CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157708053 801461208 /nfs/dbraw/zinc/46/12/08/801461208.db2.gz HCPYUGPIZCBUJY-GWCFXTLKSA-N 2 2 273.327 0.586 20 0 CCADLP [NH3+]C1(C(=O)N2CC[C@](CF)(C(F)(F)F)C2)CC[NH2+]CC1 ZINC001157889559 801510703 /nfs/dbraw/zinc/51/07/03/801510703.db2.gz LXLJGACUKZFRKG-SNVBAGLBSA-N 2 2 297.296 0.818 20 0 CCADLP CNC(=O)c1ccnc(NC(=[NH2+])N2CC[NH+](C)CC2)c1 ZINC001157915194 801518292 /nfs/dbraw/zinc/51/82/92/801518292.db2.gz KMEWWZRYPLTOKB-UHFFFAOYSA-N 2 2 276.344 0.035 20 0 CCADLP C[C@@]1(F)CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C[C@H]1F ZINC001157922797 801523101 /nfs/dbraw/zinc/52/31/01/801523101.db2.gz YMZYQMBCBXEALV-HOSYDEDBSA-N 2 2 272.299 0.578 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CCNCC(F)(F)C2)cc1 ZINC001157944117 801536275 /nfs/dbraw/zinc/53/62/75/801536275.db2.gz HZMFJTCGXROGTO-LBPRGKRZSA-N 2 2 298.337 0.326 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cncnc1Cl ZINC001158203704 801591233 /nfs/dbraw/zinc/59/12/33/801591233.db2.gz GLAFQCVFDQSFJN-SSDOTTSWSA-N 2 2 253.693 0.178 20 0 CCADLP Cn1cnc2c1ccnc2-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158203505 801591927 /nfs/dbraw/zinc/59/19/27/801591927.db2.gz BBUMYQAJZHDOSG-SECBINFHSA-N 2 2 272.312 0.016 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncc(C2CC2)cn1 ZINC001158204534 801593247 /nfs/dbraw/zinc/59/32/47/801593247.db2.gz QECHYTDLLUHSBJ-LLVKDONJSA-N 2 2 259.313 0.402 20 0 CCADLP Cc1ccc2nc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)ncc2c1 ZINC001158206295 801593674 /nfs/dbraw/zinc/59/36/74/801593674.db2.gz IHNUGNMKPFOZTK-GFCCVEGCSA-N 2 2 283.335 0.986 20 0 CCADLP CCN(CC)c1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ncn1 ZINC001158206260 801593787 /nfs/dbraw/zinc/59/37/87/801593787.db2.gz GMBFHUMUDJEKMA-LLVKDONJSA-N 2 2 290.371 0.371 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2ncc(F)cc2n1 ZINC001158206749 801594388 /nfs/dbraw/zinc/59/43/88/801594388.db2.gz ZOSJPPCZFHOKMW-SNVBAGLBSA-N 2 2 287.298 0.817 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nncc2ccc(F)cc21 ZINC001158206474 801594554 /nfs/dbraw/zinc/59/45/54/801594554.db2.gz QNQZXXWXDDUPGN-LLVKDONJSA-N 2 2 287.298 0.817 20 0 CCADLP CCOc1nccc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158262029 801609164 /nfs/dbraw/zinc/60/91/64/801609164.db2.gz QIDJHPSOIVDMJJ-GFCCVEGCSA-N 2 2 291.399 0.877 20 0 CCADLP CCOc1nccc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158262029 801609167 /nfs/dbraw/zinc/60/91/67/801609167.db2.gz QIDJHPSOIVDMJJ-GFCCVEGCSA-N 2 2 291.399 0.877 20 0 CCADLP C=CC(=O)NCCNc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001158834701 801712010 /nfs/dbraw/zinc/71/20/10/801712010.db2.gz DEPCITVAHFXRPX-UHFFFAOYSA-N 2 2 275.356 0.205 20 0 CCADLP CC(C)[N@H+](C)Cc1n[nH]c2c1CCN(C(=O)[C@@H]1CC[NH2+]1)C2 ZINC001158855566 801713603 /nfs/dbraw/zinc/71/36/03/801713603.db2.gz HOIKIFATBOTDCR-LBPRGKRZSA-N 2 2 291.399 0.497 20 0 CCADLP CC(C)[N@@H+](C)Cc1n[nH]c2c1CCN(C(=O)[C@@H]1CC[NH2+]1)C2 ZINC001158855566 801713607 /nfs/dbraw/zinc/71/36/07/801713607.db2.gz HOIKIFATBOTDCR-LBPRGKRZSA-N 2 2 291.399 0.497 20 0 CCADLP c1nc(N2CC[NH2+]C3(CC3)C2)cc(N2CCOCC2)[nH+]1 ZINC001158932721 801724800 /nfs/dbraw/zinc/72/48/00/801724800.db2.gz CAOUILFWMZTSNC-UHFFFAOYSA-N 2 2 275.356 0.255 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+]2C[C@@H](F)C[C@H]2C1)C1CCC1 ZINC001159098184 801759465 /nfs/dbraw/zinc/75/94/65/801759465.db2.gz PLYQARDRPOTZHA-AAEUAGOBSA-N 2 2 269.364 0.725 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+]2C[C@@H](F)C[C@H]2C1)C1CCC1 ZINC001159098184 801759471 /nfs/dbraw/zinc/75/94/71/801759471.db2.gz PLYQARDRPOTZHA-AAEUAGOBSA-N 2 2 269.364 0.725 20 0 CCADLP C[NH+](CC(=O)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1)C1CCC1 ZINC001159098184 801759475 /nfs/dbraw/zinc/75/94/75/801759475.db2.gz PLYQARDRPOTZHA-AAEUAGOBSA-N 2 2 269.364 0.725 20 0 CCADLP C[NH+](CC(=O)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1)C1CCC1 ZINC001159098184 801759481 /nfs/dbraw/zinc/75/94/81/801759481.db2.gz PLYQARDRPOTZHA-AAEUAGOBSA-N 2 2 269.364 0.725 20 0 CCADLP OC[C@H]1C[NH2+]C[C@H]1Nc1cc(N2CCCCC2)[nH+]cn1 ZINC001159682198 801850570 /nfs/dbraw/zinc/85/05/70/801850570.db2.gz RCKFPYOBGCOVOZ-VXGBXAGGSA-N 2 2 277.372 0.459 20 0 CCADLP CC[NH+](CC)C1CCN(C(=O)C[C@H]([NH3+])C(=O)OC)CC1 ZINC001160482693 801949450 /nfs/dbraw/zinc/94/94/50/801949450.db2.gz KFQMHLDDUGHOOG-LBPRGKRZSA-N 2 2 285.388 0.210 20 0 CCADLP O=C([C@@H]1CC[NH2+]1)N1CC[NH+](CCc2ccncc2)CC1 ZINC001160490407 801950648 /nfs/dbraw/zinc/95/06/48/801950648.db2.gz OZJHHFYWUIDMEZ-AWEZNQCLSA-N 2 2 274.368 0.130 20 0 CCADLP Cc1ncc(F)c(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)n1 ZINC001160511183 801955145 /nfs/dbraw/zinc/95/51/45/801955145.db2.gz MAVQJABWEWNLOW-CYBMUJFWSA-N 2 2 265.336 0.759 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@@H]1Cc1ccccn1 ZINC001160546377 801967108 /nfs/dbraw/zinc/96/71/08/801967108.db2.gz ZJZIIGSYYRLINM-RDBSUJKOSA-N 2 2 274.368 0.162 20 0 CCADLP CCOC(=O)[C@@H]1CCCCN1C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001160583407 801975644 /nfs/dbraw/zinc/97/56/44/801975644.db2.gz XLEOJOZKZCOPAE-NEPJUHHUSA-N 2 2 294.355 0.224 20 0 CCADLP O=C(N1[C@@H]2CCC[C@H]1CC(=O)C2)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160631597 801983091 /nfs/dbraw/zinc/98/30/91/801983091.db2.gz OURQVOGJTVWJLW-MCYUEQNJSA-N 2 2 277.368 0.051 20 0 CCADLP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001160689513 802001712 /nfs/dbraw/zinc/00/17/12/802001712.db2.gz NUZSRAFSTWCPQV-OLZOCXBDSA-N 3 2 293.415 0.833 20 0 CCADLP CN(C[C@@H]1CC1(C)C)C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001160709273 802008631 /nfs/dbraw/zinc/00/86/31/802008631.db2.gz DYQVYJYFMJDSBD-GXSJLCMTSA-N 2 2 250.346 0.784 20 0 CCADLP [NH3+][C@H](C(=O)N1CCC(n2cc[nH+]c2)CC1)C1CC[NH2+]CC1 ZINC001160726577 802013091 /nfs/dbraw/zinc/01/30/91/802013091.db2.gz QCTKPQGWVQLCML-AWEZNQCLSA-N 3 2 291.399 0.374 20 0 CCADLP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001160849629 802032133 /nfs/dbraw/zinc/03/21/33/802032133.db2.gz SLHAVHJKYBGASU-ZDUSSCGKSA-N 3 2 293.415 0.962 20 0 CCADLP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001160849629 802032137 /nfs/dbraw/zinc/03/21/37/802032137.db2.gz SLHAVHJKYBGASU-ZDUSSCGKSA-N 3 2 293.415 0.962 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2C[C@@H]([NH3+])CC(F)(F)C2)cc1 ZINC001160973052 802056268 /nfs/dbraw/zinc/05/62/68/802056268.db2.gz PUFCQCFMYGZMLN-NWDGAFQWSA-N 3 2 298.337 0.454 20 0 CCADLP CC(=O)[C@@H]1CCN(C(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)C1 ZINC001161037905 802072609 /nfs/dbraw/zinc/07/26/09/802072609.db2.gz BMDJFODNBNUQJV-ZIAGYGMSSA-N 2 2 275.352 0.696 20 0 CCADLP COC(=O)[C@H]1C[C@@H]1CNc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001161042598 802074194 /nfs/dbraw/zinc/07/41/94/802074194.db2.gz NDSLWXXULLHFLP-YPMHNXCESA-N 2 2 290.367 0.712 20 0 CCADLP CCN(C(=O)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1)C1C[NH+](C)C1 ZINC001161138062 802099254 /nfs/dbraw/zinc/09/92/54/802099254.db2.gz MFCYQSBETJSZFF-KGLIPLIRSA-N 2 2 294.443 0.223 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])CC(=O)N1CC[N@H+](C)C[C@H]1C(=O)OC ZINC001161239412 802115597 /nfs/dbraw/zinc/11/55/97/802115597.db2.gz ZXWYZWKWFPTLIM-SRVKXCTJSA-N 2 2 285.388 0.066 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])CC(=O)N1CC[N@@H+](C)C[C@H]1C(=O)OC ZINC001161239412 802115601 /nfs/dbraw/zinc/11/56/01/802115601.db2.gz ZXWYZWKWFPTLIM-SRVKXCTJSA-N 2 2 285.388 0.066 20 0 CCADLP CCOCC[NH2+]CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001161314840 802124337 /nfs/dbraw/zinc/12/43/37/802124337.db2.gz LBOWYTBWZREQNJ-ZDUSSCGKSA-N 2 2 294.399 0.578 20 0 CCADLP [NH3+]Cc1cc(NC2CN(c3cccc[nH+]3)C2)ncn1 ZINC001161321096 802125072 /nfs/dbraw/zinc/12/50/72/802125072.db2.gz XRGVQOPFSIQIQU-UHFFFAOYSA-N 2 2 256.313 0.631 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[C@@H]([NH+]3CCC([NH3+])CC3)C2)C1 ZINC001161379355 802141435 /nfs/dbraw/zinc/14/14/35/802141435.db2.gz OFJIOPPDZCMYTC-YUELXQCFSA-N 3 2 294.443 0.399 20 0 CCADLP Cc1nc2c(o1)CCN(C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)C2 ZINC001161523535 802169980 /nfs/dbraw/zinc/16/99/80/802169980.db2.gz NVTYHUZYUJATPR-NSHDSACASA-N 2 2 289.339 0.171 20 0 CCADLP C[C@@H]1C[C@@H](CNc2cc3c(c[nH+]2)OCC(=O)N3)C[NH2+]1 ZINC001162554457 802368083 /nfs/dbraw/zinc/36/80/83/802368083.db2.gz CGLYVGHCUVULMD-RKDXNWHRSA-N 2 2 262.313 0.822 20 0 CCADLP C[N@@H+]1CCc2ncnc(NC[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)c2C1 ZINC001163101257 802482464 /nfs/dbraw/zinc/48/24/64/802482464.db2.gz KTRKVKLWIOKKHY-JTNHKYCSSA-N 2 2 289.383 0.111 20 0 CCADLP C[N@H+]1CCc2ncnc(NC[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)c2C1 ZINC001163101257 802482469 /nfs/dbraw/zinc/48/24/69/802482469.db2.gz KTRKVKLWIOKKHY-JTNHKYCSSA-N 2 2 289.383 0.111 20 0 CCADLP O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ccc(Cn3cc[nH+]c3)cn2)N1 ZINC001163240681 802513229 /nfs/dbraw/zinc/51/32/29/802513229.db2.gz ZVZJBIRAYFTUJQ-IUODEOHRSA-N 2 2 298.350 0.316 20 0 CCADLP Cc1oncc1C[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163594038 802574256 /nfs/dbraw/zinc/57/42/56/802574256.db2.gz SBFMIWOTBQJWGU-UHFFFAOYSA-N 2 2 291.355 0.866 20 0 CCADLP OC[C@@H]1C[C@@H](F)CN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC001164043802 802660073 /nfs/dbraw/zinc/66/00/73/802660073.db2.gz OLUHISCGTNNMGE-CHWSQXEVSA-N 2 2 294.374 0.648 20 0 CCADLP CC(C)N(CCC[NH3+])c1[nH+]cnc2[nH]cc(C(N)=O)c21 ZINC001164122539 802670721 /nfs/dbraw/zinc/67/07/21/802670721.db2.gz HAEMWBFBVVYXIT-UHFFFAOYSA-N 2 2 276.344 0.620 20 0 CCADLP C[C@@H]1CCN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)C[C@H]1O ZINC001164273531 802700928 /nfs/dbraw/zinc/70/09/28/802700928.db2.gz RVKJXQJMERTVGP-TZMCWYRMSA-N 2 2 276.384 0.698 20 0 CCADLP C[NH+]1CCN(c2cccc(N3CC4(CCO4)C3)[nH+]2)CC1 ZINC001165118199 802785769 /nfs/dbraw/zinc/78/57/69/802785769.db2.gz DXTYVCARZTVHEA-UHFFFAOYSA-N 2 2 274.368 0.813 20 0 CCADLP Cc1nc(N2CC(=O)NC3(CC[NH2+]CC3)C2)c(C)c(C)[nH+]1 ZINC001165254652 802804832 /nfs/dbraw/zinc/80/48/32/802804832.db2.gz HHHQVXUJFMLGPD-UHFFFAOYSA-N 2 2 289.383 0.460 20 0 CCADLP CCc1cc(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)nc(C)[nH+]1 ZINC001165271009 802810105 /nfs/dbraw/zinc/81/01/05/802810105.db2.gz MOABNQDCCHQAQZ-STQMWFEESA-N 2 2 262.357 0.915 20 0 CCADLP [NH3+]CCc1nccn1-c1cc[nH+]c(N2CCCC2)n1 ZINC001166276104 802897096 /nfs/dbraw/zinc/89/70/96/802897096.db2.gz DQUYJXZVEXOTFP-UHFFFAOYSA-N 2 2 258.329 0.764 20 0 CCADLP COCC[NH2+]CCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001166402637 802904898 /nfs/dbraw/zinc/90/48/98/802904898.db2.gz RHEUGASPXHYCGX-NSHDSACASA-N 2 2 280.372 0.572 20 0 CCADLP c1cc(N2CCC3(C2)OCCO3)[nH+]cc1N1CC[NH2+]CC1 ZINC001166590248 802922479 /nfs/dbraw/zinc/92/24/79/802922479.db2.gz DGLUDEPPGPPVAR-UHFFFAOYSA-N 2 2 290.367 0.444 20 0 CCADLP C[C@@H](C(=O)N1CCC([NH+](C)C)CC1)n1cc[nH+]c1 ZINC000060021778 802931970 /nfs/dbraw/zinc/93/19/70/802931970.db2.gz FCYUUYVEAWZMLI-NSHDSACASA-N 2 2 250.346 0.997 20 0 CCADLP C[N@@H+]1CCC[C@@H](NC(=O)c2cnc(C[NH3+])s2)C1 ZINC000720276826 803053192 /nfs/dbraw/zinc/05/31/92/803053192.db2.gz UPJZGUBBRRHQBQ-MRVPVSSYSA-N 2 2 254.359 0.426 20 0 CCADLP C[N@H+]1CCC[C@@H](NC(=O)c2cnc(C[NH3+])s2)C1 ZINC000720276826 803053198 /nfs/dbraw/zinc/05/31/98/803053198.db2.gz UPJZGUBBRRHQBQ-MRVPVSSYSA-N 2 2 254.359 0.426 20 0 CCADLP Cn1c[nH+]cc1CN1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001204383219 803081755 /nfs/dbraw/zinc/08/17/55/803081755.db2.gz ZYGOLYGDHRRACP-ZDUSSCGKSA-N 2 2 288.399 0.810 20 0 CCADLP CN(C)CC[NH+]1CCC2(C[NH+](CC(=O)N(C)C)C2)CC1 ZINC001276463320 803084985 /nfs/dbraw/zinc/08/49/85/803084985.db2.gz JUGVJZPICIENSK-UHFFFAOYSA-N 2 2 282.432 0.034 20 0 CCADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1CC1=C2CCOC(=O)C2=CN[C@@H]1C ZINC001205177301 803123982 /nfs/dbraw/zinc/12/39/82/803123982.db2.gz JINBJRZYCHUAIB-GPCCPHFNSA-N 2 2 277.368 0.527 20 0 CCADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CC1=C2CCOC(=O)C2=CN[C@@H]1C ZINC001205177301 803123986 /nfs/dbraw/zinc/12/39/86/803123986.db2.gz JINBJRZYCHUAIB-GPCCPHFNSA-N 2 2 277.368 0.527 20 0 CCADLP Cc1c(CN2CC[C@@H]([NH3+])[C@H](O)C2)[nH+]c2ccccn12 ZINC001205952856 803190024 /nfs/dbraw/zinc/19/00/24/803190024.db2.gz CGCURGZYVVKOFB-DGCLKSJQSA-N 2 2 260.341 0.537 20 0 CCADLP COc1ccc(C)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205953302 803190811 /nfs/dbraw/zinc/19/08/11/803190811.db2.gz SHDPRYVWAZCULK-CHWSQXEVSA-N 2 2 250.342 0.898 20 0 CCADLP COc1ccc(C)cc1C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205953302 803190814 /nfs/dbraw/zinc/19/08/14/803190814.db2.gz SHDPRYVWAZCULK-CHWSQXEVSA-N 2 2 250.342 0.898 20 0 CCADLP [NH3+][C@@H]1CN(Cc2c[nH+]cn2Cc2ccccc2)CC[C@H]1O ZINC001206087175 803204373 /nfs/dbraw/zinc/20/43/73/803204373.db2.gz NZUAMLZBCUQDPT-HZPDHXFCSA-N 2 2 286.379 0.825 20 0 CCADLP COc1cc(F)cc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206467942 803247390 /nfs/dbraw/zinc/24/73/90/803247390.db2.gz DUNRRDSSDFGYOB-GXFFZTMASA-N 2 2 254.305 0.586 20 0 CCADLP COc1cc(F)cc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206467942 803247393 /nfs/dbraw/zinc/24/73/93/803247393.db2.gz DUNRRDSSDFGYOB-GXFFZTMASA-N 2 2 254.305 0.586 20 0 CCADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206469862 803248273 /nfs/dbraw/zinc/24/82/73/803248273.db2.gz UTLWBGICKHHJIR-GOEBONIOSA-N 3 2 286.379 0.932 20 0 CCADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206469862 803248280 /nfs/dbraw/zinc/24/82/80/803248280.db2.gz UTLWBGICKHHJIR-GOEBONIOSA-N 3 2 286.379 0.932 20 0 CCADLP CCCCc1[nH]c(CN2C[C@@H](O)[C@@H](C[NH3+])C2)c[nH+]1 ZINC001206475442 803249893 /nfs/dbraw/zinc/24/98/93/803249893.db2.gz PFTNBXPJJPFBRV-CMPLNLGQSA-N 2 2 252.362 0.504 20 0 CCADLP CCCCc1[nH]cc(CN2C[C@@H](O)[C@@H](C[NH3+])C2)[nH+]1 ZINC001206475442 803249898 /nfs/dbraw/zinc/24/98/98/803249898.db2.gz PFTNBXPJJPFBRV-CMPLNLGQSA-N 2 2 252.362 0.504 20 0 CCADLP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206481682 803251410 /nfs/dbraw/zinc/25/14/10/803251410.db2.gz YDJAQHLRULVAJS-DZGCQCFKSA-N 3 2 281.375 0.639 20 0 CCADLP C[NH+](C)Cc1cc(F)cc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206481682 803251414 /nfs/dbraw/zinc/25/14/14/803251414.db2.gz YDJAQHLRULVAJS-DZGCQCFKSA-N 3 2 281.375 0.639 20 0 CCADLP CCOc1cc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)ccc1F ZINC001206530593 803261147 /nfs/dbraw/zinc/26/11/47/803261147.db2.gz MEMOWAVWHHXSMC-AAEUAGOBSA-N 2 2 268.332 0.976 20 0 CCADLP CCOc1cc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)ccc1F ZINC001206530593 803261151 /nfs/dbraw/zinc/26/11/51/803261151.db2.gz MEMOWAVWHHXSMC-AAEUAGOBSA-N 2 2 268.332 0.976 20 0 CCADLP Cc1[nH+]cc(C[NH+]2CCC3(C[C@@H](O)CO3)CC2)n1C ZINC001206791437 803285621 /nfs/dbraw/zinc/28/56/21/803285621.db2.gz CFRYBXBXBUMXKO-CYBMUJFWSA-N 2 2 265.357 0.844 20 0 CCADLP CCOCC[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001206971794 803320322 /nfs/dbraw/zinc/32/03/22/803320322.db2.gz BSZPQGLLEJORCP-UHFFFAOYSA-N 2 2 294.399 0.748 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001207547096 803418701 /nfs/dbraw/zinc/41/87/01/803418701.db2.gz KXLXWSYDTGBYSP-MCIONIFRSA-N 2 2 293.415 0.270 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001207547096 803418708 /nfs/dbraw/zinc/41/87/08/803418708.db2.gz KXLXWSYDTGBYSP-MCIONIFRSA-N 2 2 293.415 0.270 20 0 CCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1C)[NH+](C)C ZINC001207650179 803429999 /nfs/dbraw/zinc/42/99/99/803429999.db2.gz WFUZHIRXWOTYJD-UPJWGTAASA-N 2 2 273.396 0.979 20 0 CCADLP CC(C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1C)[NH+](C)C ZINC001207650179 803430001 /nfs/dbraw/zinc/43/00/01/803430001.db2.gz WFUZHIRXWOTYJD-UPJWGTAASA-N 2 2 273.396 0.979 20 0 CCADLP C(C[NH+]1CCOCC1)N1CC([NH+]2CCCCC2)C1 ZINC001209293494 803589912 /nfs/dbraw/zinc/58/99/12/803589912.db2.gz QWWOTVHLTUDTJT-UHFFFAOYSA-N 2 2 253.390 0.489 20 0 CCADLP CC(=O)N1CCC[C@@H]([N@H+](C)Cc2c[nH+]ccc2N)C1 ZINC001209731531 803625081 /nfs/dbraw/zinc/62/50/81/803625081.db2.gz DEDFHWBQTOOBQE-CYBMUJFWSA-N 2 2 262.357 0.937 20 0 CCADLP CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2c[nH+]ccc2N)C1 ZINC001209731531 803625083 /nfs/dbraw/zinc/62/50/83/803625083.db2.gz DEDFHWBQTOOBQE-CYBMUJFWSA-N 2 2 262.357 0.937 20 0 CCADLP C[C@@H]1C[NH+](C2CN(Cc3c[nH+]ccc3N)C2)C[C@@H](C)O1 ZINC001209733111 803625929 /nfs/dbraw/zinc/62/59/29/803625929.db2.gz HUHDYCVXNDSAEI-VXGBXAGGSA-N 2 2 276.384 0.788 20 0 CCADLP C[C@H](CC(=O)N1CCC[C@@H]([NH2+]CCCO)C1)n1cc[nH+]c1 ZINC001209865246 803632459 /nfs/dbraw/zinc/63/24/59/803632459.db2.gz DYACVXJLVGDWIZ-ZIAGYGMSSA-N 2 2 294.399 0.797 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](OCC[NH+]1CCOCC1)C2 ZINC001210208933 803641970 /nfs/dbraw/zinc/64/19/70/803641970.db2.gz WRECLSUQNZWMEQ-BTTYYORXSA-N 2 2 254.374 0.960 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](OCC[NH+]1CCOCC1)C2 ZINC001210208933 803641974 /nfs/dbraw/zinc/64/19/74/803641974.db2.gz WRECLSUQNZWMEQ-BTTYYORXSA-N 2 2 254.374 0.960 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001210304741 803647141 /nfs/dbraw/zinc/64/71/41/803647141.db2.gz PKDBCOQYLHXKEN-NEPJUHHUSA-N 2 2 280.372 0.568 20 0 CCADLP COCC[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001210667926 803656780 /nfs/dbraw/zinc/65/67/80/803656780.db2.gz JTSAIDZPJRZMKM-LBPRGKRZSA-N 2 2 280.372 0.190 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001210667553 803657206 /nfs/dbraw/zinc/65/72/06/803657206.db2.gz HAFRVWFZXKGTQT-CHWSQXEVSA-N 2 2 294.399 0.578 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCF)C[C@H]1C ZINC001211369504 803678568 /nfs/dbraw/zinc/67/85/68/803678568.db2.gz JZWDNKRVDWENSW-VXGBXAGGSA-N 2 2 259.369 0.733 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCF)C[C@H]1C ZINC001211369504 803678573 /nfs/dbraw/zinc/67/85/73/803678573.db2.gz JZWDNKRVDWENSW-VXGBXAGGSA-N 2 2 259.369 0.733 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1C ZINC001211369504 803678576 /nfs/dbraw/zinc/67/85/76/803678576.db2.gz JZWDNKRVDWENSW-VXGBXAGGSA-N 2 2 259.369 0.733 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1C ZINC001211369504 803678581 /nfs/dbraw/zinc/67/85/81/803678581.db2.gz JZWDNKRVDWENSW-VXGBXAGGSA-N 2 2 259.369 0.733 20 0 CCADLP CO[C@@H]1C[N@@H+](CCCF)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213242017 803686038 /nfs/dbraw/zinc/68/60/38/803686038.db2.gz ZVHBLDCGGQUPAD-CHWSQXEVSA-N 2 2 298.362 0.448 20 0 CCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1OC)[NH+](C)C ZINC001213457905 803695093 /nfs/dbraw/zinc/69/50/93/803695093.db2.gz GSHPFYSYDXPAEW-GRYCIOLGSA-N 2 2 275.368 0.112 20 0 CCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1OC)[NH+](C)C ZINC001213457905 803695094 /nfs/dbraw/zinc/69/50/94/803695094.db2.gz GSHPFYSYDXPAEW-GRYCIOLGSA-N 2 2 275.368 0.112 20 0 CCADLP CO[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929750 803706033 /nfs/dbraw/zinc/70/60/33/803706033.db2.gz JLWMJXIQOMEXLX-VXGBXAGGSA-N 2 2 275.368 0.112 20 0 CCADLP CO[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)C[NH+](C)C(C)C ZINC001213929750 803706035 /nfs/dbraw/zinc/70/60/35/803706035.db2.gz JLWMJXIQOMEXLX-VXGBXAGGSA-N 2 2 275.368 0.112 20 0 CCADLP CO[C@@H]1C[NH+](CCF)C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001213929750 803706039 /nfs/dbraw/zinc/70/60/39/803706039.db2.gz JLWMJXIQOMEXLX-VXGBXAGGSA-N 2 2 275.368 0.112 20 0 CCADLP CO[C@@H]1C[NH+](CCF)C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001213929750 803706041 /nfs/dbraw/zinc/70/60/41/803706041.db2.gz JLWMJXIQOMEXLX-VXGBXAGGSA-N 2 2 275.368 0.112 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001214531162 803747995 /nfs/dbraw/zinc/74/79/95/803747995.db2.gz QUWWSBDZGAECGZ-JHJVBQTASA-N 2 2 294.399 0.814 20 0 CCADLP COCCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001214812076 803759830 /nfs/dbraw/zinc/75/98/30/803759830.db2.gz QTVBRFSEFSXEBF-TZMCWYRMSA-N 2 2 294.399 0.815 20 0 CCADLP COCCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001214812076 803759837 /nfs/dbraw/zinc/75/98/37/803759837.db2.gz QTVBRFSEFSXEBF-TZMCWYRMSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001215269358 803787512 /nfs/dbraw/zinc/78/75/12/803787512.db2.gz XMEBECKFXFKOGE-CHWSQXEVSA-N 2 2 280.372 0.356 20 0 CCADLP CCOCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215684953 803823610 /nfs/dbraw/zinc/82/36/10/803823610.db2.gz JZFYXCLZNPOCLF-DGCLKSJQSA-N 2 2 280.372 0.425 20 0 CCADLP CN1CCN(C)[C@H](C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000405307260 803873255 /nfs/dbraw/zinc/87/32/55/803873255.db2.gz MVVTUXYRZUDNAH-UPJWGTAASA-N 2 2 252.406 0.092 20 0 CCADLP C[C@@H]([NH3+])c1nnc(CC[NH+]2C[C@H](C)O[C@@H](C)C2)o1 ZINC001217709189 803903907 /nfs/dbraw/zinc/90/39/07/803903907.db2.gz FFGFHLWZSFZGCK-LPEHRKFASA-N 2 2 254.334 0.741 20 0 CCADLP C[S@](=O)CC[C@H]([NH3+])C(=O)Nc1cccc2[nH+]ccn21 ZINC001218498627 803964944 /nfs/dbraw/zinc/96/49/44/803964944.db2.gz GADXXKMNBRWOSB-UGZDLDLSSA-N 2 2 280.353 0.369 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cnc(-c2ccccc2)cn1 ZINC001218506225 803973614 /nfs/dbraw/zinc/97/36/14/803973614.db2.gz YIBDQRTZJCHMBO-NSHDSACASA-N 2 2 271.324 0.758 20 0 CCADLP Cc1cc(O)cnc1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218517950 803980268 /nfs/dbraw/zinc/98/02/68/803980268.db2.gz KIMFFXYZUUHCFI-UHFFFAOYSA-N 2 2 264.329 0.376 20 0 CCADLP Cn1nc2c(c1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)CCC2 ZINC001218527885 803989973 /nfs/dbraw/zinc/98/99/73/803989973.db2.gz KSWZAXDQPBHQRE-SNVBAGLBSA-N 2 2 274.328 0.140 20 0 CCADLP CN(C)c1cc[nH+]cc1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218563388 804009251 /nfs/dbraw/zinc/00/92/51/804009251.db2.gz OKEHLUIYLJBUFA-UHFFFAOYSA-N 3 2 263.345 0.167 20 0 CCADLP O=C(Nc1cc[nH+]c2c1CCC2)[C@@H]1CC[NH2+]C[C@H]1F ZINC001218620029 804037541 /nfs/dbraw/zinc/03/75/41/804037541.db2.gz HSSIQSFPSIFPES-MWLCHTKSSA-N 2 2 263.316 0.878 20 0 CCADLP Cc1ncnc(C)c1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218638409 804052433 /nfs/dbraw/zinc/05/24/33/804052433.db2.gz NOBNJOFEBFPBNB-BREBYQMCSA-N 2 2 261.329 0.254 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cc(Cl)c[nH]c1=O ZINC001218642731 804056614 /nfs/dbraw/zinc/05/66/14/804056614.db2.gz ZRULZYSLXBLOPU-QMMMGPOBSA-N 2 2 281.703 0.672 20 0 CCADLP CCOC(=O)c1cc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)c[nH]1 ZINC001218650188 804060426 /nfs/dbraw/zinc/06/04/26/804060426.db2.gz ULGDACQQKYLSSC-SNVBAGLBSA-N 2 2 291.311 0.423 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1cc2ccccn2n1 ZINC001218755812 804111486 /nfs/dbraw/zinc/11/14/86/804111486.db2.gz XYRSMMITMVDIAV-UHFFFAOYSA-N 2 2 273.340 0.614 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1ccc2n[nH]nc2c1 ZINC001218877626 804144484 /nfs/dbraw/zinc/14/44/84/804144484.db2.gz UPNYBUDYSVUMFF-UHFFFAOYSA-N 2 2 274.328 0.238 20 0 CCADLP Cc1cccc(N)c1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218913364 804155103 /nfs/dbraw/zinc/15/51/03/804155103.db2.gz UBEXNLJEXSBIGW-UHFFFAOYSA-N 2 2 262.357 0.857 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc2c(c1)CCNC2=O ZINC001218935054 804162555 /nfs/dbraw/zinc/16/25/55/804162555.db2.gz PDUMCSVXHBJUMK-CYBMUJFWSA-N 2 2 299.334 0.204 20 0 CCADLP CCOC(=O)Nc1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc1 ZINC001218951358 804165070 /nfs/dbraw/zinc/16/50/70/804165070.db2.gz HGILAONEXTWGQL-RYUDHWBXSA-N 2 2 292.339 0.740 20 0 CCADLP [NH3+]C1(C(=O)Nc2cccc(Cl)c2CO)CC[NH2+]CC1 ZINC001218991364 804177363 /nfs/dbraw/zinc/17/73/63/804177363.db2.gz PDQWOQQQMPGWQL-UHFFFAOYSA-N 2 2 283.759 0.852 20 0 CCADLP CC(=O)c1cccc(O)c1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218994754 804178077 /nfs/dbraw/zinc/17/80/77/804178077.db2.gz OCLWDQVNDBCXKZ-SCZZXKLOSA-N 2 2 263.297 0.223 20 0 CCADLP O=C(Nc1ccc([C@@H]2CC[NH2+]C2)cc1)[C@@H]1COCC[NH2+]1 ZINC001218997151 804180191 /nfs/dbraw/zinc/18/01/91/804180191.db2.gz SLSKWJFONVWRRP-OCCSQVGLSA-N 2 2 275.352 0.690 20 0 CCADLP COc1ccc(CO)c(NC(=O)C[NH2+]C2CC[NH2+]CC2)c1 ZINC001219074510 804191024 /nfs/dbraw/zinc/19/10/24/804191024.db2.gz MTMUVAFVFOKKOL-UHFFFAOYSA-N 2 2 293.367 0.468 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc2oc(=O)[nH]c2c1 ZINC001219152401 804220484 /nfs/dbraw/zinc/22/04/84/804220484.db2.gz XLCYBSUHFQEWTF-SECBINFHSA-N 2 2 287.279 0.765 20 0 CCADLP Cc1cc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc2snnc21 ZINC001219184324 804229680 /nfs/dbraw/zinc/22/96/80/804229680.db2.gz JYTYCXIULVWZJU-APPZFPTMSA-N 2 2 277.353 0.627 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(F)c2cnccc12 ZINC001219199870 804232519 /nfs/dbraw/zinc/23/25/19/804232519.db2.gz QTTKGZJOEZRKON-JQWIXIFHSA-N 2 2 274.299 0.859 20 0 CCADLP [NH3+][C@@H]1CCCN(c2ccc(NC(=O)C3(F)C[NH2+]C3)cc2)C1 ZINC001219233759 804243696 /nfs/dbraw/zinc/24/36/96/804243696.db2.gz VWUVUGMJHZBKJG-LLVKDONJSA-N 2 2 292.358 0.864 20 0 CCADLP Nc1nc2cc(NC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])ccc2s1 ZINC001219248045 804248903 /nfs/dbraw/zinc/24/89/03/804248903.db2.gz VRDQSKGIGHGKPK-YUMQZZPRSA-N 2 2 277.353 0.364 20 0 CCADLP CN1Cc2cccc(NC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)c2C1=O ZINC001219362213 804286839 /nfs/dbraw/zinc/28/68/39/804286839.db2.gz FTIQLLQIPXQKME-NSHDSACASA-N 2 2 299.334 0.504 20 0 CCADLP O=C(Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2)[C@@H]1COCC[NH2+]1 ZINC001219537664 804339986 /nfs/dbraw/zinc/33/99/86/804339986.db2.gz OOFNSCCODVUJOB-SUZMYJTESA-N 2 2 289.335 0.061 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)[C@H]2C[NH2+]CC(F)(F)C2)C[NH2+]1 ZINC001219583468 804359271 /nfs/dbraw/zinc/35/92/71/804359271.db2.gz YKNFCTQBATXRTK-AEJSXWLSSA-N 2 2 261.316 0.488 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)C[NH2+]1 ZINC001219591940 804362314 /nfs/dbraw/zinc/36/23/14/804362314.db2.gz AOHSXFYHWGLEJY-LEWSCRJBSA-N 3 2 276.384 0.515 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]([NH3+])Cc2ccccc2F)C1 ZINC001219694464 804406038 /nfs/dbraw/zinc/40/60/38/804406038.db2.gz JDZRKYFTUFGMCG-GXTWGEPZSA-N 2 2 295.358 0.142 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@H]([NH3+])Cc2ccccc2F)C1 ZINC001219694464 804406042 /nfs/dbraw/zinc/40/60/42/804406042.db2.gz JDZRKYFTUFGMCG-GXTWGEPZSA-N 2 2 295.358 0.142 20 0 CCADLP CC(C)(NC(=O)[C@@H]([NH3+])CC[NH3+])C(=O)c1ccccc1 ZINC001219693034 804406379 /nfs/dbraw/zinc/40/63/79/804406379.db2.gz MFHSLLZZMHKMSJ-NSHDSACASA-N 2 2 263.341 0.440 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])c2ccsc2)C1 ZINC001219694192 804406782 /nfs/dbraw/zinc/40/67/82/804406782.db2.gz GQYRFHZRECAKSM-QWRGUYRKSA-N 2 2 269.370 0.195 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])c2ccsc2)C1 ZINC001219694192 804406786 /nfs/dbraw/zinc/40/67/86/804406786.db2.gz GQYRFHZRECAKSM-QWRGUYRKSA-N 2 2 269.370 0.195 20 0 CCADLP C[C@H](NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)c1nc2ccccc2[nH]1 ZINC001219700786 804408312 /nfs/dbraw/zinc/40/83/12/804408312.db2.gz DLGKGPVGXVUTKY-TXFQPVFDSA-N 2 2 299.378 0.690 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NC[C@@]2(F)CCC[NH2+]C2)cc1 ZINC001219770530 804419868 /nfs/dbraw/zinc/41/98/68/804419868.db2.gz AGHRKQXQOULHDA-DZGCQCFKSA-N 3 2 294.374 0.467 20 0 CCADLP O=C(NCc1cc(F)c(F)c(F)c1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219904505 804445638 /nfs/dbraw/zinc/44/56/38/804445638.db2.gz XGQRGTQUXCPXLR-YMTOWFKASA-N 2 2 299.296 0.672 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)c1ccc([C@H](N)C[NH3+])cc1 ZINC001219934743 804451650 /nfs/dbraw/zinc/45/16/50/804451650.db2.gz KMJKYMPZWSTXFN-CQSZACIVSA-N 2 2 287.367 0.580 20 0 CCADLP Cc1c[nH]c(CCNC(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)[nH+]1 ZINC001219952559 804456371 /nfs/dbraw/zinc/45/63/71/804456371.db2.gz XSSCHMGAHXMPOY-GFCCVEGCSA-N 3 2 291.399 0.251 20 0 CCADLP O=C(NC1C2CC3CC(C2)CC1C3)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219989801 804466692 /nfs/dbraw/zinc/46/66/92/804466692.db2.gz QJOVKXUYYGYXLF-HCOZDDLKSA-N 2 2 289.423 0.879 20 0 CCADLP CC(C)[C@@](C)(NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)C(N)=O ZINC001220022304 804475100 /nfs/dbraw/zinc/47/51/00/804475100.db2.gz FMFUGMAUAFNOPL-IUODEOHRSA-N 2 2 292.383 0.275 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1nccc2ccccc21 ZINC001220046836 804483459 /nfs/dbraw/zinc/48/34/59/804483459.db2.gz GIZRSXRSKYEJIO-STQMWFEESA-N 2 2 270.336 0.398 20 0 CCADLP CC[C@H](C)C[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220103847 804500699 /nfs/dbraw/zinc/50/06/99/804500699.db2.gz LLDXBEHLMJLOCJ-MJBXVCDLSA-N 2 2 294.399 0.481 20 0 CCADLP CC[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220103847 804500704 /nfs/dbraw/zinc/50/07/04/804500704.db2.gz LLDXBEHLMJLOCJ-MJBXVCDLSA-N 2 2 294.399 0.481 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCc1cccc(F)n1 ZINC001220124938 804505883 /nfs/dbraw/zinc/50/58/83/804505883.db2.gz QVWDYZCCOKXNGS-NSHDSACASA-N 2 2 277.303 0.140 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@H]([NH3+])[C@@H](C)OC(C)(C)C)C1 ZINC001220159712 804522492 /nfs/dbraw/zinc/52/24/92/804522492.db2.gz RHTDPUQCZRNDLC-ZYHUDNBSSA-N 2 2 271.405 0.726 20 0 CCADLP C[C@@H](NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)c1cncnc1 ZINC001220183824 804530724 /nfs/dbraw/zinc/53/07/24/804530724.db2.gz ZNSPRRGIHLPEGW-QMTHXVAHSA-N 2 2 285.351 0.926 20 0 CCADLP C[C@H](NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)c1cnn(C)c1 ZINC001220308158 804568194 /nfs/dbraw/zinc/56/81/94/804568194.db2.gz DUPAIVSWNJMFJP-IINYFYTJSA-N 2 2 287.367 0.870 20 0 CCADLP CCOC(=O)C1(CNC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CCC1 ZINC001220370842 804584089 /nfs/dbraw/zinc/58/40/89/804584089.db2.gz GCMXDVCECUAAGY-LLVKDONJSA-N 2 2 294.355 0.129 20 0 CCADLP C[C@@H](NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)c1ncc(F)cn1 ZINC001220599136 804635917 /nfs/dbraw/zinc/63/59/17/804635917.db2.gz MRNDUUYDXHKXKV-GMSGAONNSA-N 2 2 278.291 0.086 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc2ocnc2c1 ZINC001220679065 804648945 /nfs/dbraw/zinc/64/89/45/804648945.db2.gz SNGSFIAOUFQQNU-NSHDSACASA-N 2 2 285.307 0.737 20 0 CCADLP CC(=O)CC(C)(C)NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220688136 804650184 /nfs/dbraw/zinc/65/01/84/804650184.db2.gz ZFUKPAADJJQREX-BREBYQMCSA-N 2 2 253.346 0.082 20 0 CCADLP C[C@@H](CNC(=O)C1([NH3+])CC[NH2+]CC1)CC(C)(C)CC[NH3+] ZINC001220765822 804661558 /nfs/dbraw/zinc/66/15/58/804661558.db2.gz GEJPXZZSTZOHLC-GFCCVEGCSA-N 3 2 284.448 0.585 20 0 CCADLP CC1(C)[C@H](O)C[C@H]1NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220766139 804663144 /nfs/dbraw/zinc/66/31/44/804663144.db2.gz MGVIMQGAZNXDQC-YNEHKIRRSA-N 2 2 277.368 0.534 20 0 CCADLP [NH3+][C@@]12CC[C@@](NC(=O)c3cnc4n3CC[NH2+]C4)(C1)CCC2 ZINC001220784279 804667773 /nfs/dbraw/zinc/66/77/73/804667773.db2.gz VBHJHCXEGMUDQK-LSDHHAIUSA-N 2 2 289.383 0.520 20 0 CCADLP [NH3+]C1(C(=O)NCCc2c[nH]c3cc[nH+]cc23)CC[NH2+]CC1 ZINC001220866389 804683887 /nfs/dbraw/zinc/68/38/87/804683887.db2.gz XNLCQHQCMUAKPG-UHFFFAOYSA-N 3 2 287.367 0.303 20 0 CCADLP CCOCC[N@H+](C)CCN(C)C(=O)Cc1c[nH+]cn1C ZINC001272152072 815031595 /nfs/dbraw/zinc/03/15/95/815031595.db2.gz NVWJJFUOTLIBOG-UHFFFAOYSA-N 2 2 282.388 0.389 20 0 CCADLP CCOCC[N@@H+](C)CCN(C)C(=O)Cc1c[nH+]cn1C ZINC001272152072 815031601 /nfs/dbraw/zinc/03/16/01/815031601.db2.gz NVWJJFUOTLIBOG-UHFFFAOYSA-N 2 2 282.388 0.389 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NC2(c3ncccn3)CC2)cc1 ZINC001220934163 804702082 /nfs/dbraw/zinc/70/20/82/804702082.db2.gz KITOGMUAXOLYEJ-CYBMUJFWSA-N 2 2 297.362 0.854 20 0 CCADLP CC(C)(C)[NH+]1CC(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001221193782 804744035 /nfs/dbraw/zinc/74/40/35/804744035.db2.gz FURZFBRIPWHHRX-ZDUSSCGKSA-N 3 2 294.443 0.460 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CCCNC(=O)C2)cc1 ZINC001221269851 804762046 /nfs/dbraw/zinc/76/20/46/804762046.db2.gz ZIVAVNQBDWFBMN-STQMWFEESA-N 2 2 290.367 0.044 20 0 CCADLP C[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])c1cccc(N(C)C)c1 ZINC001221313907 804774377 /nfs/dbraw/zinc/77/43/77/804774377.db2.gz AYBDMEQLNNEARB-BPNCWPANSA-N 2 2 276.384 0.477 20 0 CCADLP [NH3+]C1(C(=O)NC2(Cc3ccc(O)cc3)CC2)CC[NH2+]CC1 ZINC001221331033 804778498 /nfs/dbraw/zinc/77/84/98/804778498.db2.gz RGYJGTCXZFTISC-UHFFFAOYSA-N 2 2 289.379 0.664 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCc2c1cccc2O ZINC001221395313 804801660 /nfs/dbraw/zinc/80/16/60/804801660.db2.gz SDUAXEVBELIKME-CHWSQXEVSA-N 2 2 286.335 0.789 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)[C@H](C)C1 ZINC001221409491 804809617 /nfs/dbraw/zinc/80/96/17/804809617.db2.gz UPJDBHJRXZPCHQ-HGTKMLMNSA-N 3 2 294.443 0.173 20 0 CCADLP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)[C@H](C)C1 ZINC001221409491 804809623 /nfs/dbraw/zinc/80/96/23/804809623.db2.gz UPJDBHJRXZPCHQ-HGTKMLMNSA-N 3 2 294.443 0.173 20 0 CCADLP Fc1ccc(CN2CC[NH2+]C3(CC[NH2+]CC3)C2)cn1 ZINC001222090739 804865785 /nfs/dbraw/zinc/86/57/85/804865785.db2.gz IRWZKMAQNSLZEQ-UHFFFAOYSA-N 2 2 264.348 0.748 20 0 CCADLP Fc1ncccc1CN1CC[NH2+]C2(CC[NH2+]CC2)C1 ZINC001222091262 804866735 /nfs/dbraw/zinc/86/67/35/804866735.db2.gz PGKSFAVRKMMOAJ-UHFFFAOYSA-N 2 2 264.348 0.748 20 0 CCADLP COc1cc(CN2CC[NH2+]C3(CC[NH2+]CC3)C2)cnc1F ZINC001222105217 804869493 /nfs/dbraw/zinc/86/94/93/804869493.db2.gz WNVPATABLIBFGH-UHFFFAOYSA-N 2 2 294.374 0.757 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC3(CC2)C[NH2+]CCO3)O1 ZINC001222208811 804881985 /nfs/dbraw/zinc/88/19/85/804881985.db2.gz QYPJCKOYPQXLNH-LBPRGKRZSA-N 3 2 269.389 0.165 20 0 CCADLP C1=CO[C@@H](CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)CC1 ZINC001222491453 804904133 /nfs/dbraw/zinc/90/41/33/804904133.db2.gz BVIAMRZNXHDQFH-RDBSUJKOSA-N 2 2 251.374 0.705 20 0 CCADLP COCC[NH+]1CCC(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001223419515 804970487 /nfs/dbraw/zinc/97/04/87/804970487.db2.gz LPNRLUJRNGUOKA-UHFFFAOYSA-N 2 2 294.399 0.817 20 0 CCADLP COCC[NH+]1CCC(CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001223419515 804970490 /nfs/dbraw/zinc/97/04/90/804970490.db2.gz LPNRLUJRNGUOKA-UHFFFAOYSA-N 2 2 294.399 0.817 20 0 CCADLP COc1cc(N2CC3(CCN3CC[NH+](C)C)C2)cc[nH+]1 ZINC001277075129 805165616 /nfs/dbraw/zinc/16/56/16/805165616.db2.gz GKADYJSHERKMMI-UHFFFAOYSA-N 2 2 276.384 0.916 20 0 CCADLP CCC[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001277125353 805226597 /nfs/dbraw/zinc/22/65/97/805226597.db2.gz NBQYTOGEZKZVBF-UHFFFAOYSA-N 2 2 250.346 0.922 20 0 CCADLP COc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC001245979584 807104908 /nfs/dbraw/zinc/10/49/08/807104908.db2.gz BVKZATRETBXWRI-CHWSQXEVSA-N 2 2 280.368 0.777 20 0 CCADLP COc1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC001245984762 807106814 /nfs/dbraw/zinc/10/68/14/807106814.db2.gz YEXCJCWOQRWNCZ-CHWSQXEVSA-N 2 2 280.368 0.777 20 0 CCADLP O[C@@H](C[NH2+][C@H]1CCC[NH2+]C1)COc1ccccc1 ZINC001245985156 807107108 /nfs/dbraw/zinc/10/71/08/807107108.db2.gz ZTXQYVRXTHTDBW-STQMWFEESA-N 2 2 250.342 0.768 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1C[NH2+]CC12CC2)COCc1ccccc1 ZINC001245985907 807107265 /nfs/dbraw/zinc/10/72/65/807107265.db2.gz NKJCWKANDBTRMH-LSDHHAIUSA-N 2 2 276.380 0.906 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@H]1C[NH2+]C[C@@H](C)C1 ZINC001245994375 807109860 /nfs/dbraw/zinc/10/98/60/807109860.db2.gz RHETXMGLSANCOR-BFHYXJOUSA-N 3 2 257.422 0.524 20 0 CCADLP C[C@@](O)(C[N@@H+]1CCC[NH2+]CC1)C(=O)OCc1ccccc1 ZINC001246013065 807116090 /nfs/dbraw/zinc/11/60/90/807116090.db2.gz BQUJUAIAMQWLMX-MRXNPFEDSA-N 2 2 292.379 0.776 20 0 CCADLP C[C@@](O)(C[N@H+]1CCC[NH2+]CC1)C(=O)OCc1ccccc1 ZINC001246013065 807116094 /nfs/dbraw/zinc/11/60/94/807116094.db2.gz BQUJUAIAMQWLMX-MRXNPFEDSA-N 2 2 292.379 0.776 20 0 CCADLP CC1(C[NH3+])C[NH+](C[C@H](O)COc2ccc(CCO)cc2)C1 ZINC001246037869 807130517 /nfs/dbraw/zinc/13/05/17/807130517.db2.gz WSWZGVQQFBKNEV-AWEZNQCLSA-N 2 2 294.395 0.242 20 0 CCADLP [NH3+][C@]12CC[C@H]1C[N@H+](C[C@H](O)COc1ccc(F)cc1)C2 ZINC001246047190 807133822 /nfs/dbraw/zinc/13/38/22/807133822.db2.gz QLGQFDQWDNDHRS-WHOFXGATSA-N 2 2 280.343 0.989 20 0 CCADLP [NH3+][C@]12CC[C@H]1C[N@@H+](C[C@H](O)COc1ccc(F)cc1)C2 ZINC001246047190 807133827 /nfs/dbraw/zinc/13/38/27/807133827.db2.gz QLGQFDQWDNDHRS-WHOFXGATSA-N 2 2 280.343 0.989 20 0 CCADLP CC[C@H]([NH3+])C[N@H+](C)C[C@@H](O)COCc1ccco1 ZINC001246066611 807140037 /nfs/dbraw/zinc/14/00/37/807140037.db2.gz KZBJMKUXNPXKIW-NWDGAFQWSA-N 2 2 256.346 0.826 20 0 CCADLP CC[C@H]([NH3+])C[N@@H+](C)C[C@@H](O)COCc1ccco1 ZINC001246066611 807140043 /nfs/dbraw/zinc/14/00/43/807140043.db2.gz KZBJMKUXNPXKIW-NWDGAFQWSA-N 2 2 256.346 0.826 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC23CC3)CO1 ZINC001246128764 807160937 /nfs/dbraw/zinc/16/09/37/807160937.db2.gz FFXWRTZAIVDZLM-SDDRHHMPSA-N 2 2 268.357 0.439 20 0 CCADLP C[C@@H]1CC[C@@H]([NH2+]C2CCN(C3CC[NH2+]CC3)CC2)C[NH2+]1 ZINC001246136758 807162452 /nfs/dbraw/zinc/16/24/52/807162452.db2.gz DVTQLZAZMNRHCJ-UKRRQHHQSA-N 3 2 280.460 0.933 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001246140254 807163942 /nfs/dbraw/zinc/16/39/42/807163942.db2.gz GKAFSTQQIGKOJV-HZSPNIEDSA-N 3 2 295.427 0.792 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N[C@H](C[NH+](C)C)c2ccccc2)C[NH2+]1 ZINC001246168718 807173916 /nfs/dbraw/zinc/17/39/16/807173916.db2.gz GGGXFJIGSLAKJH-QLFBSQMISA-N 2 2 291.395 0.782 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@]2(C)CCC[NH2+]C2)CN1 ZINC001246191304 807181571 /nfs/dbraw/zinc/18/15/71/807181571.db2.gz VOKKLHNFHYBPCH-MDZLAQPJSA-N 2 2 255.362 0.012 20 0 CCADLP C1CC1[NH+]1CCC([NH2+]C2CN(C3CC[NH2+]CC3)C2)CC1 ZINC001246212592 807187859 /nfs/dbraw/zinc/18/78/59/807187859.db2.gz BLMAISDWHRFRFV-UHFFFAOYSA-N 3 2 278.444 0.639 20 0 CCADLP CCC[C@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C(=O)OCC ZINC001246258016 807199846 /nfs/dbraw/zinc/19/98/46/807199846.db2.gz ATRIAAUWHZUOFO-RYUDHWBXSA-N 2 2 269.389 0.402 20 0 CCADLP CCOC(=O)[C@@H](CC1CCC1)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246285198 807207367 /nfs/dbraw/zinc/20/73/67/807207367.db2.gz FTQDIVOPDVJJBH-ZIAGYGMSSA-N 2 2 295.427 0.792 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@@H]1[NH2+][C@@H]1CCc2c(F)cccc2C1 ZINC001246312498 807218064 /nfs/dbraw/zinc/21/80/64/807218064.db2.gz XXQREFFZSAYOGL-ZOWXZIJZSA-N 2 2 264.344 0.853 20 0 CCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246334255 807225222 /nfs/dbraw/zinc/22/52/22/807225222.db2.gz PWMQURBUYVDGKM-WZRBSPASSA-N 2 2 280.372 0.234 20 0 CCADLP COC(=O)[C@H]1C[C@H](N[C@H](C[NH3+])c2ccccc2)C[NH2+]1 ZINC001246507238 807269079 /nfs/dbraw/zinc/26/90/79/807269079.db2.gz MAGKNSWIVYFWBL-YNEHKIRRSA-N 2 2 263.341 0.180 20 0 CCADLP COC(=O)C1C[C@@H]2CC([N@@H+]3CCC[C@@H]([NH3+])CC3)C[C@H](C1)[NH2+]2 ZINC001246540126 807277095 /nfs/dbraw/zinc/27/70/95/807277095.db2.gz FSVIXKXZMFLFGN-VCNCWYJPSA-N 2 2 295.427 0.872 20 0 CCADLP COC(=O)C1C[C@@H]2CC([N@H+]3CCC[C@@H]([NH3+])CC3)C[C@H](C1)[NH2+]2 ZINC001246540126 807277101 /nfs/dbraw/zinc/27/71/01/807277101.db2.gz FSVIXKXZMFLFGN-VCNCWYJPSA-N 3 2 295.427 0.872 20 0 CCADLP CCOC(=O)CN1CC[NH+]([C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246537595 807277500 /nfs/dbraw/zinc/27/75/00/807277500.db2.gz KYLXWPMOWDDNBG-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP OC[C@@H]1CCC(F)(F)C[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246549345 807281835 /nfs/dbraw/zinc/28/18/35/807281835.db2.gz MDYRXVHEWOOJDE-MNOVXSKESA-N 2 2 275.343 0.172 20 0 CCADLP OC[C@@H]1CCC(F)(F)C[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246549345 807281839 /nfs/dbraw/zinc/28/18/39/807281839.db2.gz MDYRXVHEWOOJDE-MNOVXSKESA-N 2 2 275.343 0.172 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCC[C@@](O)(C[NH3+])C1)C2 ZINC001246558988 807287455 /nfs/dbraw/zinc/28/74/55/807287455.db2.gz MSYJTYRUNUVHQK-CBBWQLFWSA-N 3 2 267.417 0.787 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCC[C@@](O)(C[NH3+])C1)C2 ZINC001246558988 807287460 /nfs/dbraw/zinc/28/74/60/807287460.db2.gz MSYJTYRUNUVHQK-CBBWQLFWSA-N 3 2 267.417 0.787 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCC[C@@](O)(C[NH3+])C1)C2 ZINC001246558988 807287465 /nfs/dbraw/zinc/28/74/65/807287465.db2.gz MSYJTYRUNUVHQK-CBBWQLFWSA-N 3 2 267.417 0.787 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCC[C@@](O)(C[NH3+])C1)C2 ZINC001246558988 807287471 /nfs/dbraw/zinc/28/74/71/807287471.db2.gz MSYJTYRUNUVHQK-CBBWQLFWSA-N 3 2 267.417 0.787 20 0 CCADLP COc1cccc2c1C[C@H]([N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1)CO2 ZINC001246566468 807293062 /nfs/dbraw/zinc/29/30/62/807293062.db2.gz IXMOYWIFOKKBNS-CYZMBNFOSA-N 2 2 278.352 0.393 20 0 CCADLP COc1cccc2c1C[C@H]([N@H+]1CC[C@@H]([NH3+])[C@H](O)C1)CO2 ZINC001246566468 807293070 /nfs/dbraw/zinc/29/30/70/807293070.db2.gz IXMOYWIFOKKBNS-CYZMBNFOSA-N 2 2 278.352 0.393 20 0 CCADLP C[C@H]1CC[C@H]([NH+]2CCC(OCC(=O)NC3CC3)CC2)C[NH2+]1 ZINC001246845551 807403205 /nfs/dbraw/zinc/40/32/05/807403205.db2.gz OSRJSOLCSLWPMK-JSGCOSHPSA-N 2 2 295.427 0.887 20 0 CCADLP C[C@@H]1CC[C@H]([NH+]2CCC(OCC(=O)NC3CC3)CC2)C[NH2+]1 ZINC001246845552 807403741 /nfs/dbraw/zinc/40/37/41/807403741.db2.gz OSRJSOLCSLWPMK-OCCSQVGLSA-N 2 2 295.427 0.887 20 0 CCADLP COC(=O)CCCC[C@H](C)[N@@H+]1C[C@H]([NH3+])[C@@H](C(=O)OC)C1 ZINC001246939512 807435962 /nfs/dbraw/zinc/43/59/62/807435962.db2.gz RZPUHWCFRIDZMW-SRVKXCTJSA-N 2 2 286.372 0.540 20 0 CCADLP COC(=O)CCCC[C@H](C)[N@H+]1C[C@H]([NH3+])[C@@H](C(=O)OC)C1 ZINC001246939512 807435964 /nfs/dbraw/zinc/43/59/64/807435964.db2.gz RZPUHWCFRIDZMW-SRVKXCTJSA-N 2 2 286.372 0.540 20 0 CCADLP c1ncnc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)n1 ZINC001246949874 807438826 /nfs/dbraw/zinc/43/88/26/807438826.db2.gz RDMLUQRVTFIWPY-FUNVUKJBSA-N 2 2 274.372 0.277 20 0 CCADLP C[C@H]1C[C@@H]([N@@H+]2CC(=O)NC3(CCCC3)C2)CC[NH2+]1 ZINC001246997662 807451928 /nfs/dbraw/zinc/45/19/28/807451928.db2.gz XANFDPNKHKBTBO-RYUDHWBXSA-N 2 2 251.374 0.872 20 0 CCADLP C[C@H]1C[C@@H]([N@H+]2CC(=O)NC3(CCCC3)C2)CC[NH2+]1 ZINC001246997662 807451933 /nfs/dbraw/zinc/45/19/33/807451933.db2.gz XANFDPNKHKBTBO-RYUDHWBXSA-N 2 2 251.374 0.872 20 0 CCADLP C[NH+](C)Cc1ccc(-c2noc([C@@H]([NH3+])CO)n2)cc1 ZINC001247609024 807469032 /nfs/dbraw/zinc/46/90/32/807469032.db2.gz ZAPAOSJKLOKCAK-NSHDSACASA-N 2 2 262.313 0.790 20 0 CCADLP CC[N@H+](C)C1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC001251024252 807645602 /nfs/dbraw/zinc/64/56/02/807645602.db2.gz NTYFZFJIDVOUAU-HNNXBMFYSA-N 2 2 285.432 0.096 20 0 CCADLP CC[N@@H+](C)C1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC001251024252 807645607 /nfs/dbraw/zinc/64/56/07/807645607.db2.gz NTYFZFJIDVOUAU-HNNXBMFYSA-N 2 2 285.432 0.096 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])NC[C@H](O)c2ccc(F)cc2)CC1 ZINC001252861722 807979190 /nfs/dbraw/zinc/97/91/90/807979190.db2.gz IGOLKLLHKATGMY-ZDUSSCGKSA-N 2 2 280.347 0.631 20 0 CCADLP NC(=O)C1C[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001252929935 807986107 /nfs/dbraw/zinc/98/61/07/807986107.db2.gz LRCCMDFYTZJPEQ-INIZCTEOSA-N 2 2 289.379 0.041 20 0 CCADLP NC(=O)C1C[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001252929935 807986113 /nfs/dbraw/zinc/98/61/13/807986113.db2.gz LRCCMDFYTZJPEQ-INIZCTEOSA-N 2 2 289.379 0.041 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC2(CNC(=O)O2)CC1 ZINC001253187391 808024012 /nfs/dbraw/zinc/02/40/12/808024012.db2.gz DHKLORLZZVEGPW-GFCCVEGCSA-N 2 2 285.388 0.264 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+]CCCc1[nH]cc[nH+]1 ZINC001253217113 808038246 /nfs/dbraw/zinc/03/82/46/808038246.db2.gz SIEPDRUMHTVIJA-LBPRGKRZSA-N 3 2 254.378 0.635 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]Cc1cccc(C(N)=O)c1 ZINC001253406169 808060414 /nfs/dbraw/zinc/06/04/14/808060414.db2.gz BIYHOLSSHOZBAI-ZDUSSCGKSA-N 2 2 279.384 0.624 20 0 CCADLP Cc1nn(C)c(C)c1C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253405902 808060617 /nfs/dbraw/zinc/06/06/17/808060617.db2.gz VBHCFYSOSCSVAZ-LBPRGKRZSA-N 2 2 268.405 0.876 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]Cc1ccc2c(c1)C(=O)NC2 ZINC001253406730 808061278 /nfs/dbraw/zinc/06/12/78/808061278.db2.gz UFEWZISMERTVAD-ZDUSSCGKSA-N 2 2 291.395 0.769 20 0 CCADLP C[NH+](C)CCC[N@H+](C)C[C@@H](O)C(=O)OC(C)(C)C ZINC001253667264 808105010 /nfs/dbraw/zinc/10/50/10/808105010.db2.gz QETFZISZAZIPMO-LLVKDONJSA-N 2 2 260.378 0.573 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)C[C@@H](O)C(=O)OC(C)(C)C ZINC001253667264 808105013 /nfs/dbraw/zinc/10/50/13/808105013.db2.gz QETFZISZAZIPMO-LLVKDONJSA-N 2 2 260.378 0.573 20 0 CCADLP CCOC(=O)CN1CCC([NH2+]CC[NH+](CC)CC)CC1 ZINC001254388456 808229279 /nfs/dbraw/zinc/22/92/79/808229279.db2.gz XWVXKQSCUIBHTO-UHFFFAOYSA-N 2 2 285.432 0.945 20 0 CCADLP CCOC(=O)C[NH+]1CCC(N2CC(C)([NH3+])C2)CC1 ZINC001254401577 808232968 /nfs/dbraw/zinc/23/29/68/808232968.db2.gz SBGHWOLGSRZGLR-UHFFFAOYSA-N 2 2 255.362 0.047 20 0 CCADLP Cc1nc(CC[NH2+][C@H]2CC3CC[NH+](CC3)C2)no1 ZINC001254834049 808283297 /nfs/dbraw/zinc/28/32/97/808283297.db2.gz UOAWPCLMPHIJOC-LBPRGKRZSA-N 2 2 250.346 0.994 20 0 CCADLP CC(=O)NC[C@H](C)C[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254842573 808285940 /nfs/dbraw/zinc/28/59/40/808285940.db2.gz FIPOHWMYDNGAEQ-FZMZJTMJSA-N 2 2 253.390 0.833 20 0 CCADLP CC(=O)N1CC[C@@H](C[NH2+][C@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254848461 808286837 /nfs/dbraw/zinc/28/68/37/808286837.db2.gz QRNLCKJWAVEPKZ-GJZGRUSLSA-N 2 2 265.401 0.929 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])N[C@H]2CCOC(C)(C)C2)CC1 ZINC001255527450 808398609 /nfs/dbraw/zinc/39/86/09/808398609.db2.gz QNJKXARQJJAOJB-NSHDSACASA-N 2 2 254.378 0.716 20 0 CCADLP C[C@H]1C(=O)NCC[N@@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255680543 808423143 /nfs/dbraw/zinc/42/31/43/808423143.db2.gz ZGQCANJTFBBARE-ACJTYDJDSA-N 2 2 251.374 0.822 20 0 CCADLP C[C@H]1C(=O)NCC[N@H+]1C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255680543 808423146 /nfs/dbraw/zinc/42/31/46/808423146.db2.gz ZGQCANJTFBBARE-ACJTYDJDSA-N 2 2 251.374 0.822 20 0 CCADLP C[C@H]1C(=O)NCC[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255680543 808423149 /nfs/dbraw/zinc/42/31/49/808423149.db2.gz ZGQCANJTFBBARE-ACJTYDJDSA-N 2 2 251.374 0.822 20 0 CCADLP C[C@H]1C(=O)NCC[NH+]1C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255680543 808423153 /nfs/dbraw/zinc/42/31/53/808423153.db2.gz ZGQCANJTFBBARE-ACJTYDJDSA-N 2 2 251.374 0.822 20 0 CCADLP CC[NH+](CC)CC[C@H](C)NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001255945419 808439996 /nfs/dbraw/zinc/43/99/96/808439996.db2.gz FIFABCATNNUZSW-ZDUSSCGKSA-N 3 2 269.437 0.879 20 0 CCADLP [NH3+]C[C@@]1(NC2CC[NH+](C3CC3)CC2)C[NH+]2CCC1CC2 ZINC001256071415 808467009 /nfs/dbraw/zinc/46/70/09/808467009.db2.gz WMNBDFKVXWANLB-MRXNPFEDSA-N 3 2 278.444 0.626 20 0 CCADLP O=C1COCC2(CC[NH+](C3CC[NH+](C4CC4)CC3)CC2)N1 ZINC001256074977 808467569 /nfs/dbraw/zinc/46/75/69/808467569.db2.gz AMQUJDMCJDFCOM-UHFFFAOYSA-N 2 2 293.411 0.594 20 0 CCADLP OC[C@@H]1C[N@@H+](C2CC[NH+](C3CC3)CC2)CC[C@@H]1O ZINC001256075087 808468209 /nfs/dbraw/zinc/46/82/09/808468209.db2.gz CMXYWELJVBAIGU-FZMZJTMJSA-N 2 2 254.374 0.288 20 0 CCADLP OC[C@@H]1C[N@H+](C2CC[NH+](C3CC3)CC2)CC[C@@H]1O ZINC001256075087 808468211 /nfs/dbraw/zinc/46/82/11/808468211.db2.gz CMXYWELJVBAIGU-FZMZJTMJSA-N 2 2 254.374 0.288 20 0 CCADLP COc1cccc(C[C@H](C)[NH2+][C@@H]2COC[C@H]2[NH3+])c1 ZINC001256146304 808473164 /nfs/dbraw/zinc/47/31/64/808473164.db2.gz WCTGMGWAWDPYOK-ZLKJLUDKSA-N 2 2 250.342 0.942 20 0 CCADLP C[NH+]1CCC([N@@H+]2C[C@](O)(C(F)(F)F)C[C@H]2CO)CC1 ZINC001256203204 808478289 /nfs/dbraw/zinc/47/82/89/808478289.db2.gz SQPRBPYAWHNIGC-QWRGUYRKSA-N 2 2 282.306 0.441 20 0 CCADLP C[NH+]1CCC([N@H+]2C[C@](O)(C(F)(F)F)C[C@H]2CO)CC1 ZINC001256203204 808478294 /nfs/dbraw/zinc/47/82/94/808478294.db2.gz SQPRBPYAWHNIGC-QWRGUYRKSA-N 2 2 282.306 0.441 20 0 CCADLP C[C@@H]1C[N@H+](C2CN(C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC001256216154 808481138 /nfs/dbraw/zinc/48/11/38/808481138.db2.gz UPINLCXBAMRWTK-BETUJISGSA-N 2 2 267.417 0.874 20 0 CCADLP C[C@@H]1C[N@@H+](C2CN(C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC001256216154 808481143 /nfs/dbraw/zinc/48/11/43/808481143.db2.gz UPINLCXBAMRWTK-BETUJISGSA-N 2 2 267.417 0.874 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(N3CCOCC3=O)CC2)CC1 ZINC001256208867 808481297 /nfs/dbraw/zinc/48/12/97/808481297.db2.gz JHPFCSAJWNLIIX-UHFFFAOYSA-N 2 2 281.400 0.404 20 0 CCADLP COc1cccc2c1CC[C@@H]([N@H+](CC[NH3+])CCO)C2 ZINC001256633250 808544146 /nfs/dbraw/zinc/54/41/46/808544146.db2.gz QTQJPJOTIJZIOA-CYBMUJFWSA-N 2 2 264.369 0.806 20 0 CCADLP COc1cccc2c1CC[C@@H]([N@@H+](CC[NH3+])CCO)C2 ZINC001256633250 808544152 /nfs/dbraw/zinc/54/41/52/808544152.db2.gz QTQJPJOTIJZIOA-CYBMUJFWSA-N 2 2 264.369 0.806 20 0 CCADLP C[C@H]1CC([NH2+]C2(CO)CC[NH+](C)CC2)C[C@H](C)O1 ZINC001257086565 808590913 /nfs/dbraw/zinc/59/09/13/808590913.db2.gz IVKLSJHIKXBGJV-RYUDHWBXSA-N 2 2 256.390 0.989 20 0 CCADLP COCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076295774 815273859 /nfs/dbraw/zinc/27/38/59/815273859.db2.gz XUXRUMHCKYYLGD-WCQYABFASA-N 2 2 278.356 0.131 20 0 CCADLP COCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076295774 815273860 /nfs/dbraw/zinc/27/38/60/815273860.db2.gz XUXRUMHCKYYLGD-WCQYABFASA-N 2 2 278.356 0.131 20 0 CCADLP C=CC(=O)NCC[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001262565868 809345851 /nfs/dbraw/zinc/34/58/51/809345851.db2.gz YDBWGZIHMPBZLQ-OAHLLOKOSA-N 2 2 291.395 0.371 20 0 CCADLP C=CC(=O)NCC[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC001262565868 809345858 /nfs/dbraw/zinc/34/58/58/809345858.db2.gz YDBWGZIHMPBZLQ-OAHLLOKOSA-N 2 2 291.395 0.371 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001262652309 809385535 /nfs/dbraw/zinc/38/55/35/809385535.db2.gz CAADQBCSJLQTTP-GFCCVEGCSA-N 2 2 250.346 0.943 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001262652309 809385541 /nfs/dbraw/zinc/38/55/41/809385541.db2.gz CAADQBCSJLQTTP-GFCCVEGCSA-N 2 2 250.346 0.943 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001262652309 809385547 /nfs/dbraw/zinc/38/55/47/809385547.db2.gz CAADQBCSJLQTTP-GFCCVEGCSA-N 2 2 250.346 0.943 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001262652309 809385550 /nfs/dbraw/zinc/38/55/50/809385550.db2.gz CAADQBCSJLQTTP-GFCCVEGCSA-N 2 2 250.346 0.943 20 0 CCADLP COc1c(C)c[nH+]c(CNC(=O)[C@@H]2C[C@@H]2C[NH3+])c1C ZINC001263098155 809442714 /nfs/dbraw/zinc/44/27/14/809442714.db2.gz ULRNCUSSWOVEGE-GHMZBOCLSA-N 2 2 263.341 0.918 20 0 CCADLP [NH3+][C@@H](CC(=O)NCc1ccc2c(c1)C[NH2+]C2)C(F)F ZINC001263105873 809447218 /nfs/dbraw/zinc/44/72/18/809447218.db2.gz BFYMBWLOLUJAOT-NSHDSACASA-N 2 2 269.295 0.889 20 0 CCADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001263133888 809456074 /nfs/dbraw/zinc/45/60/74/809456074.db2.gz HFZJSEGAFYAOOD-LMLFDSFASA-N 2 2 250.346 0.766 20 0 CCADLP [NH3+][C@@H](CC1CC1)C(=O)NCCCCn1cc[nH+]c1 ZINC000380956775 809531624 /nfs/dbraw/zinc/53/16/24/809531624.db2.gz ABQITQGCPNMPKZ-LBPRGKRZSA-N 2 2 250.346 0.907 20 0 CCADLP C[NH+]1CCN(c2ccc3[nH]c(CCO)[nH+]c3c2)CC1 ZINC000586894524 809539400 /nfs/dbraw/zinc/53/94/00/809539400.db2.gz KHSOYQLYADOKEN-UHFFFAOYSA-N 2 2 260.341 0.850 20 0 CCADLP CN(C[C@@H]1CC[N@@H+]1CCCF)C(=O)Cc1c[nH+]c[nH]1 ZINC001263812546 809574912 /nfs/dbraw/zinc/57/49/12/809574912.db2.gz OSFUYRODCHPUFS-LBPRGKRZSA-N 2 2 268.336 0.845 20 0 CCADLP CN(C[C@@H]1CC[N@H+]1CCCF)C(=O)Cc1c[nH+]c[nH]1 ZINC001263812546 809574916 /nfs/dbraw/zinc/57/49/16/809574916.db2.gz OSFUYRODCHPUFS-LBPRGKRZSA-N 2 2 268.336 0.845 20 0 CCADLP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001263995620 809619667 /nfs/dbraw/zinc/61/96/67/809619667.db2.gz HWCQRZKQKWPWIK-QJPTWQEYSA-N 2 2 262.357 0.799 20 0 CCADLP C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001263995620 809619672 /nfs/dbraw/zinc/61/96/72/809619672.db2.gz HWCQRZKQKWPWIK-QJPTWQEYSA-N 2 2 262.357 0.799 20 0 CCADLP C[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)C[C@@H]1CCCOC1 ZINC001265040697 809699123 /nfs/dbraw/zinc/69/91/23/809699123.db2.gz FNZCMICRYOBNKB-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP C[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)C[C@@H]1CCCOC1 ZINC001265040697 809699125 /nfs/dbraw/zinc/69/91/25/809699125.db2.gz FNZCMICRYOBNKB-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP COCCCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001265451346 809781738 /nfs/dbraw/zinc/78/17/38/809781738.db2.gz LNODWBPMQAIRFY-LBPRGKRZSA-N 2 2 280.372 0.569 20 0 CCADLP CC[C@H](C(=O)NCCC[N@H+](C)Cc1cnn(C)n1)[NH+](C)C ZINC001265871483 809881180 /nfs/dbraw/zinc/88/11/80/809881180.db2.gz BGHSSNUHZJYULB-CYBMUJFWSA-N 2 2 296.419 0.093 20 0 CCADLP CC[C@H](C(=O)NCCC[N@@H+](C)Cc1cnn(C)n1)[NH+](C)C ZINC001265871483 809881183 /nfs/dbraw/zinc/88/11/83/809881183.db2.gz BGHSSNUHZJYULB-CYBMUJFWSA-N 2 2 296.419 0.093 20 0 CCADLP C[N@H+](CCCNC(=O)Cn1cc[nH+]c1)CC[C@H]1CCOC1 ZINC001265984469 809912977 /nfs/dbraw/zinc/91/29/77/809912977.db2.gz YMNCTWVFRZOGEA-AWEZNQCLSA-N 2 2 294.399 0.748 20 0 CCADLP C[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)CC[C@H]1CCOC1 ZINC001265984469 809912982 /nfs/dbraw/zinc/91/29/82/809912982.db2.gz YMNCTWVFRZOGEA-AWEZNQCLSA-N 2 2 294.399 0.748 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCC[C@@H]([NH2+]CCCO)C1 ZINC001266072254 809930377 /nfs/dbraw/zinc/93/03/77/809930377.db2.gz VOAZLFAXXMIBJG-NEPJUHHUSA-N 2 2 280.372 0.352 20 0 CCADLP CN(CC[NH2+]CCC1CCOCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001267434956 811303414 /nfs/dbraw/zinc/30/34/14/811303414.db2.gz RWNPNPAWXRIEBT-UHFFFAOYSA-N 2 2 294.399 0.817 20 0 CCADLP CN(CC[NH2+]CC1CCC1)C(=O)Cn1cc[nH+]c1 ZINC001267479160 811362793 /nfs/dbraw/zinc/36/27/93/811362793.db2.gz PASOECNZGILGMZ-UHFFFAOYSA-N 2 2 250.346 0.731 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC1CC[NH+](CCCO)CC1 ZINC001224672548 815447108 /nfs/dbraw/zinc/44/71/08/815447108.db2.gz JNDCULLKHHLXEO-UHFFFAOYSA-N 2 2 280.372 0.163 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(C(F)F)nc1 ZINC001218655984 811603503 /nfs/dbraw/zinc/60/35/03/811603503.db2.gz PEUAPLIPBXRZPL-YUMQZZPRSA-N 2 2 256.256 0.504 20 0 CCADLP CCC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC001083290552 811698589 /nfs/dbraw/zinc/69/85/89/811698589.db2.gz HSKZYAMKADPJOQ-QWHCGFSZSA-N 2 2 278.356 0.205 20 0 CCADLP CCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC001083290552 811698593 /nfs/dbraw/zinc/69/85/93/811698593.db2.gz HSKZYAMKADPJOQ-QWHCGFSZSA-N 2 2 278.356 0.205 20 0 CCADLP CC(C)C[NH2+]C[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001268004755 811942029 /nfs/dbraw/zinc/94/20/29/811942029.db2.gz OFMRCIICXGDNBK-NSHDSACASA-N 2 2 252.362 0.950 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+]2CCF)O1 ZINC001027966254 812173689 /nfs/dbraw/zinc/17/36/89/812173689.db2.gz MRQNBEWRNOQGTQ-JHJVBQTASA-N 2 2 287.379 0.256 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+]2CCF)O1 ZINC001027966254 812173695 /nfs/dbraw/zinc/17/36/95/812173695.db2.gz MRQNBEWRNOQGTQ-JHJVBQTASA-N 2 2 287.379 0.256 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CCF)O1 ZINC001027966254 812173700 /nfs/dbraw/zinc/17/37/00/812173700.db2.gz MRQNBEWRNOQGTQ-JHJVBQTASA-N 2 2 287.379 0.256 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@H+]2CCF)O1 ZINC001027966254 812173705 /nfs/dbraw/zinc/17/37/05/812173705.db2.gz MRQNBEWRNOQGTQ-JHJVBQTASA-N 2 2 287.379 0.256 20 0 CCADLP COCC[NH2+]C[C@H](C)N(C)C(=O)CCc1[nH+]ccn1C ZINC001268076621 812190367 /nfs/dbraw/zinc/19/03/67/812190367.db2.gz RSWQLDVSCPVMAF-LBPRGKRZSA-N 2 2 282.388 0.436 20 0 CCADLP Cc1[nH+]ccn1-c1ccc(NC(=[NH2+])NCCCC[NH3+])nn1 ZINC001167880597 812400139 /nfs/dbraw/zinc/40/01/39/812400139.db2.gz QQECTURNNAQCND-UHFFFAOYSA-N 3 2 288.359 0.646 20 0 CCADLP CC[C@@H](C(=O)NC1C[NH+](CCCOC)C1)[NH+](C)C ZINC001268455592 812596296 /nfs/dbraw/zinc/59/62/96/812596296.db2.gz ZBDBWRUJBMJLJT-LBPRGKRZSA-N 2 2 257.378 0.164 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1c1nc(-c2ccc3c(c2)CCC3=O)no1 ZINC001211755450 812671146 /nfs/dbraw/zinc/67/11/46/812671146.db2.gz NMCDFLCMOLKZBL-RYUDHWBXSA-N 2 2 284.319 0.880 20 0 CCADLP CC[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H](OC)C1 ZINC001213204281 812733206 /nfs/dbraw/zinc/73/32/06/812733206.db2.gz AICMXQGCPHHEBE-VXGBXAGGSA-N 2 2 280.372 0.188 20 0 CCADLP CC[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H](OC)C1 ZINC001213204281 812733211 /nfs/dbraw/zinc/73/32/11/812733211.db2.gz AICMXQGCPHHEBE-VXGBXAGGSA-N 2 2 280.372 0.188 20 0 CCADLP CC(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075645267 812782554 /nfs/dbraw/zinc/78/25/54/812782554.db2.gz VNDPVIBYQKKUTJ-RRFJBIMHSA-N 2 2 295.427 0.506 20 0 CCADLP CC(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075645267 812782559 /nfs/dbraw/zinc/78/25/59/812782559.db2.gz VNDPVIBYQKKUTJ-RRFJBIMHSA-N 2 2 295.427 0.506 20 0 CCADLP CC(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001075645267 812782563 /nfs/dbraw/zinc/78/25/63/812782563.db2.gz VNDPVIBYQKKUTJ-RRFJBIMHSA-N 2 2 295.427 0.506 20 0 CCADLP CC(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001075645267 812782565 /nfs/dbraw/zinc/78/25/65/812782565.db2.gz VNDPVIBYQKKUTJ-RRFJBIMHSA-N 2 2 295.427 0.506 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[N@H+](C)CCF ZINC001268757291 813071311 /nfs/dbraw/zinc/07/13/11/813071311.db2.gz RKDPVEKKPGCQGR-SNVBAGLBSA-N 2 2 256.325 0.598 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[N@@H+](C)CCF ZINC001268757291 813071317 /nfs/dbraw/zinc/07/13/17/813071317.db2.gz RKDPVEKKPGCQGR-SNVBAGLBSA-N 2 2 256.325 0.598 20 0 CCADLP C[C@@H](O)C[NH2+]CCCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001268808777 813097576 /nfs/dbraw/zinc/09/75/76/813097576.db2.gz ONPQUVYFKAJDPZ-GFCCVEGCSA-N 2 2 290.367 0.767 20 0 CCADLP Cc1nc(C)c(C[NH2+]CCNC(=O)CCc2[nH]cc[nH+]2)o1 ZINC001126436657 813582747 /nfs/dbraw/zinc/58/27/47/813582747.db2.gz GHPDYEICRMPREO-UHFFFAOYSA-N 2 2 291.355 0.853 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]Cc1cncc(F)c1 ZINC001126437040 813586350 /nfs/dbraw/zinc/58/63/50/813586350.db2.gz SPRPNQHSDQHAEV-UHFFFAOYSA-N 2 2 291.330 0.782 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]CC[C@@H]1CCOC1 ZINC001126442638 813597571 /nfs/dbraw/zinc/59/75/71/813597571.db2.gz ROUWOUYAWHDSKE-GFCCVEGCSA-N 2 2 280.372 0.475 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)CCc2[nH]cc[nH+]2)cn1 ZINC001126447657 813631925 /nfs/dbraw/zinc/63/19/25/813631925.db2.gz JMGVOGDHOKORSZ-UHFFFAOYSA-N 2 2 288.355 0.347 20 0 CCADLP CC1(C)CO[C@@H](C[NH2+]CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001126448743 813640781 /nfs/dbraw/zinc/64/07/81/813640781.db2.gz XWAKQSPYFYOWKC-GFCCVEGCSA-N 2 2 294.399 0.863 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]1C[NH2+]CCCF ZINC001270316018 813717350 /nfs/dbraw/zinc/71/73/50/813717350.db2.gz NVPSIMLYHWRNHD-GFCCVEGCSA-N 2 2 268.336 0.823 20 0 CCADLP C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001270447995 813767319 /nfs/dbraw/zinc/76/73/19/813767319.db2.gz YGMUDHCENXTEIT-WOPDTQHZSA-N 2 2 274.368 0.992 20 0 CCADLP C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]1CCCc3[nH+]c[nH]c31)C2 ZINC001270447995 813767321 /nfs/dbraw/zinc/76/73/21/813767321.db2.gz YGMUDHCENXTEIT-WOPDTQHZSA-N 2 2 274.368 0.992 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]CC1CC1 ZINC001270568362 813816582 /nfs/dbraw/zinc/81/65/82/813816582.db2.gz MXFPRZCOPJXGDD-NSHDSACASA-N 2 2 264.373 0.715 20 0 CCADLP Cn1cc(C[NH+]2CCN(CC[NH+](C)C)CC2)cn1 ZINC001204970249 813938350 /nfs/dbraw/zinc/93/83/50/813938350.db2.gz UBNWAOPJDSAJPU-UHFFFAOYSA-N 2 2 251.378 0.099 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1C[C@H](C)O ZINC001087797912 814216611 /nfs/dbraw/zinc/21/66/11/814216611.db2.gz PLWLJCORJWHKMD-FPMFFAJLSA-N 2 2 294.399 0.313 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1C[C@H](C)O ZINC001087797912 814216619 /nfs/dbraw/zinc/21/66/19/814216619.db2.gz PLWLJCORJWHKMD-FPMFFAJLSA-N 2 2 294.399 0.313 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[N@@H+]1CCOC ZINC001087810383 814218998 /nfs/dbraw/zinc/21/89/98/814218998.db2.gz RYCWFKJHTGYTQB-GXTWGEPZSA-N 2 2 294.399 0.876 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[N@H+]1CCOC ZINC001087810383 814219004 /nfs/dbraw/zinc/21/90/04/814219004.db2.gz RYCWFKJHTGYTQB-GXTWGEPZSA-N 2 2 294.399 0.876 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCO ZINC001029491980 814312260 /nfs/dbraw/zinc/31/22/60/814312260.db2.gz DEFTWVFDOJGTHC-BETUJISGSA-N 2 2 278.356 0.010 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCO ZINC001029491980 814312266 /nfs/dbraw/zinc/31/22/66/814312266.db2.gz DEFTWVFDOJGTHC-BETUJISGSA-N 2 2 278.356 0.010 20 0 CCADLP C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)CCc1ccc(N)[nH+]c1 ZINC001271817593 814592768 /nfs/dbraw/zinc/59/27/68/814592768.db2.gz WZDNBMCXWMTWKK-BETUJISGSA-N 2 2 290.367 0.138 20 0 CCADLP C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)CCc1ccc(N)[nH+]c1 ZINC001271817593 814592774 /nfs/dbraw/zinc/59/27/74/814592774.db2.gz WZDNBMCXWMTWKK-BETUJISGSA-N 2 2 290.367 0.138 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ncccn1 ZINC001127065651 815621128 /nfs/dbraw/zinc/62/11/28/815621128.db2.gz CMLHXKFCKHAWKY-ZDUSSCGKSA-N 2 2 291.399 0.555 20 0 CCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ncccn1 ZINC001127065651 815621133 /nfs/dbraw/zinc/62/11/33/815621133.db2.gz CMLHXKFCKHAWKY-ZDUSSCGKSA-N 2 2 291.399 0.555 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001105909043 815979934 /nfs/dbraw/zinc/97/99/34/815979934.db2.gz CBVHUTDQSCOKDR-GFCCVEGCSA-N 2 2 295.387 0.016 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001105909043 815979936 /nfs/dbraw/zinc/97/99/36/815979936.db2.gz CBVHUTDQSCOKDR-GFCCVEGCSA-N 2 2 295.387 0.016 20 0 CCADLP CC(C)C[N@@H+]1CC[C@H](C(=O)NC2C[NH+](C[C@H](C)O)C2)C1 ZINC001030432524 816037314 /nfs/dbraw/zinc/03/73/14/816037314.db2.gz JIESNIJHKBUZIO-STQMWFEESA-N 2 2 283.416 0.146 20 0 CCADLP CC(C)C[N@H+]1CC[C@H](C(=O)NC2C[NH+](C[C@H](C)O)C2)C1 ZINC001030432524 816037320 /nfs/dbraw/zinc/03/73/20/816037320.db2.gz JIESNIJHKBUZIO-STQMWFEESA-N 2 2 283.416 0.146 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001030441606 816041138 /nfs/dbraw/zinc/04/11/38/816041138.db2.gz BTXZQJPSCCBHTK-TZMCWYRMSA-N 2 2 283.416 0.431 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001030441606 816041148 /nfs/dbraw/zinc/04/11/48/816041148.db2.gz BTXZQJPSCCBHTK-TZMCWYRMSA-N 2 2 283.416 0.431 20 0 CCADLP CC[NH+]1CC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001030737848 816257704 /nfs/dbraw/zinc/25/77/04/816257704.db2.gz MBISPIOMWSAFAY-CYBMUJFWSA-N 2 2 251.374 0.681 20 0 CCADLP COCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001272344307 816345592 /nfs/dbraw/zinc/34/55/92/816345592.db2.gz SQKMERYSCNEMEI-CHWSQXEVSA-N 2 2 280.372 0.404 20 0 CCADLP C[C@@H](F)CC[NH+]1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001030959256 816504426 /nfs/dbraw/zinc/50/44/26/816504426.db2.gz FPUFKDBKGCFIQT-NWDGAFQWSA-N 2 2 271.380 0.877 20 0 CCADLP O=C(NC1C[NH+](CCCO)C1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001031084195 816633805 /nfs/dbraw/zinc/63/38/05/816633805.db2.gz XUVGZNLKGFLVSV-KGLIPLIRSA-N 2 2 281.400 0.186 20 0 CCADLP O=C(NC1C[NH+](CCCO)C1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001031084195 816633806 /nfs/dbraw/zinc/63/38/06/816633806.db2.gz XUVGZNLKGFLVSV-KGLIPLIRSA-N 2 2 281.400 0.186 20 0 CCADLP COC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106704914 816859474 /nfs/dbraw/zinc/85/94/74/816859474.db2.gz IQZINQBLSVHOCI-FRRDWIJNSA-N 2 2 294.399 0.671 20 0 CCADLP COCC[NH+]1CC(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001031254522 816902326 /nfs/dbraw/zinc/90/23/26/816902326.db2.gz USYYXVROYKEFSG-OCCSQVGLSA-N 2 2 283.416 0.554 20 0 CCADLP CC1CC(C[NH+]2CC(NC(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001031257980 816908386 /nfs/dbraw/zinc/90/83/86/816908386.db2.gz CEVXAFLTAIXNFP-UHFFFAOYSA-N 2 2 276.384 0.809 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC1C[NH+](C[C@@H]2CCOC2)C1 ZINC001031316678 816969742 /nfs/dbraw/zinc/96/97/42/816969742.db2.gz OETQYEXULHROFB-NSHDSACASA-N 2 2 278.356 0.098 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+](CCC(C)(C)C)C2)C1 ZINC001031417857 817041081 /nfs/dbraw/zinc/04/10/81/817041081.db2.gz DMJNSFDFEBOAFY-CQSZACIVSA-N 2 2 297.443 0.944 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NC2C[NH+](CCC(C)(C)C)C2)C1 ZINC001031417857 817041089 /nfs/dbraw/zinc/04/10/89/817041089.db2.gz DMJNSFDFEBOAFY-CQSZACIVSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@@H](O)C1 ZINC001083768719 817431718 /nfs/dbraw/zinc/43/17/18/817431718.db2.gz NCQKESHQRQUTSN-UHTWSYAYSA-N 2 2 292.383 0.399 20 0 CCADLP CC(C)[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@@H](O)C1 ZINC001083768719 817431721 /nfs/dbraw/zinc/43/17/21/817431721.db2.gz NCQKESHQRQUTSN-UHTWSYAYSA-N 2 2 292.383 0.399 20 0 CCADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(OCC(N)=O)cc1 ZINC001236867905 817434067 /nfs/dbraw/zinc/43/40/67/817434067.db2.gz FSQCDYKMNQHGSF-LBPRGKRZSA-N 2 2 265.357 0.720 20 0 CCADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(OCC(N)=O)cc1 ZINC001236867905 817434078 /nfs/dbraw/zinc/43/40/78/817434078.db2.gz FSQCDYKMNQHGSF-LBPRGKRZSA-N 2 2 265.357 0.720 20 0 CCADLP CC(C)(C)c1ccc(S(=O)(=O)NCC[NH2+]CC[NH3+])cc1 ZINC001238837229 817841245 /nfs/dbraw/zinc/84/12/45/817841245.db2.gz BKEGIKNPMRRGGZ-UHFFFAOYSA-N 2 2 299.440 0.811 20 0 CCADLP CC[NH2+]CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001127771988 817851028 /nfs/dbraw/zinc/85/10/28/817851028.db2.gz BHCYTNJIMZKLOO-GFCCVEGCSA-N 2 2 265.361 0.516 20 0 CCADLP CC[NH2+]CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001127771988 817851034 /nfs/dbraw/zinc/85/10/34/817851034.db2.gz BHCYTNJIMZKLOO-GFCCVEGCSA-N 2 2 265.361 0.516 20 0 CCADLP COCCOC[C@@H](O)C[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000692335941 817974544 /nfs/dbraw/zinc/97/45/44/817974544.db2.gz TWDQILZYPLICHC-AGIUHOORSA-N 2 2 260.378 0.070 20 0 CCADLP COCCOC[C@@H](O)C[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000692335941 817974551 /nfs/dbraw/zinc/97/45/51/817974551.db2.gz TWDQILZYPLICHC-AGIUHOORSA-N 2 2 260.378 0.070 20 0 CCADLP CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001107816488 818026305 /nfs/dbraw/zinc/02/63/05/818026305.db2.gz DVERMNNDGSIMCY-GXTWGEPZSA-N 2 2 269.389 0.308 20 0 CCADLP CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001107816488 818026312 /nfs/dbraw/zinc/02/63/12/818026312.db2.gz DVERMNNDGSIMCY-GXTWGEPZSA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001107816488 818026320 /nfs/dbraw/zinc/02/63/20/818026320.db2.gz DVERMNNDGSIMCY-GXTWGEPZSA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH+]1CCO[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001107816488 818026322 /nfs/dbraw/zinc/02/63/22/818026322.db2.gz DVERMNNDGSIMCY-GXTWGEPZSA-N 2 2 269.389 0.308 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1C[C@H]([NH2+]CCF)C12CCC2 ZINC001078735919 818038338 /nfs/dbraw/zinc/03/83/38/818038338.db2.gz AQZCFKFNZCMYAG-NWDGAFQWSA-N 2 2 280.347 0.939 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ncnc3sncc32)CC1 ZINC001168735114 818533728 /nfs/dbraw/zinc/53/37/28/818533728.db2.gz ITBBDDXNNIMFRZ-UHFFFAOYSA-N 2 2 277.357 0.680 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2nccc3c2OCC(=O)N3)CC1 ZINC001168735338 818535530 /nfs/dbraw/zinc/53/55/30/818535530.db2.gz OVJSMUBKWQQOSZ-UHFFFAOYSA-N 2 2 290.327 0.007 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N(C)[C@H]2CC[NH+](CCF)C2)C1 ZINC001033421071 818771259 /nfs/dbraw/zinc/77/12/59/818771259.db2.gz UVBLJIAUZOUPKQ-STQMWFEESA-N 2 2 271.380 0.830 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CC[NH+](CCF)C2)C1 ZINC001033421071 818771267 /nfs/dbraw/zinc/77/12/67/818771267.db2.gz UVBLJIAUZOUPKQ-STQMWFEESA-N 2 2 271.380 0.830 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](CCF)C2)C1 ZINC001033421071 818771273 /nfs/dbraw/zinc/77/12/73/818771273.db2.gz UVBLJIAUZOUPKQ-STQMWFEESA-N 2 2 271.380 0.830 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](CCF)C2)C1 ZINC001033421071 818771281 /nfs/dbraw/zinc/77/12/81/818771281.db2.gz UVBLJIAUZOUPKQ-STQMWFEESA-N 2 2 271.380 0.830 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033618459 818853557 /nfs/dbraw/zinc/85/35/57/818853557.db2.gz HALRRQQSQLTVIE-YPMHNXCESA-N 2 2 294.399 0.828 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033618459 818853566 /nfs/dbraw/zinc/85/35/66/818853566.db2.gz HALRRQQSQLTVIE-YPMHNXCESA-N 2 2 294.399 0.828 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033703534 818891755 /nfs/dbraw/zinc/89/17/55/818891755.db2.gz GHIRJHFOTIFNOC-QWHCGFSZSA-N 2 2 280.372 0.451 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033703534 818891760 /nfs/dbraw/zinc/89/17/60/818891760.db2.gz GHIRJHFOTIFNOC-QWHCGFSZSA-N 2 2 280.372 0.451 20 0 CCADLP C[C@H]1CC[C@H](C[NH2+]CCNC(=O)CCc2c[nH]c[nH+]2)O1 ZINC001128967268 819237305 /nfs/dbraw/zinc/23/73/05/819237305.db2.gz IXVATMLQSHYWSI-WCQYABFASA-N 2 2 280.372 0.616 20 0 CCADLP C[C@H]1CC[C@H](C[NH2+]CCNC(=O)CCc2c[nH+]c[nH]2)O1 ZINC001128967268 819237309 /nfs/dbraw/zinc/23/73/09/819237309.db2.gz IXVATMLQSHYWSI-WCQYABFASA-N 2 2 280.372 0.616 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+]Cc1cccnc1 ZINC001128986041 819289571 /nfs/dbraw/zinc/28/95/71/819289571.db2.gz CORMTZZBAWUZQK-UHFFFAOYSA-N 2 2 273.340 0.643 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC[NH2+]Cc1cccnc1 ZINC001128986041 819289575 /nfs/dbraw/zinc/28/95/75/819289575.db2.gz CORMTZZBAWUZQK-UHFFFAOYSA-N 2 2 273.340 0.643 20 0 CCADLP CC[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001034801716 819333103 /nfs/dbraw/zinc/33/31/03/819333103.db2.gz QLTZHMRXSDQYGS-HAQNSBGRSA-N 2 2 250.346 0.920 20 0 CCADLP CC[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH+]cn1C ZINC001035114590 819394627 /nfs/dbraw/zinc/39/46/27/819394627.db2.gz SCAIFFYGNRJPSJ-CYBMUJFWSA-N 2 2 264.373 0.953 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1[NH2+]CCF ZINC001036239539 819711405 /nfs/dbraw/zinc/71/14/05/819711405.db2.gz LPUOKHWJBPEDDC-GHMZBOCLSA-N 2 2 268.336 0.748 20 0 CCADLP Cc1[nH]c(CNC[C@H]2C[N@@H+]3CCC[C@H]3CO2)[nH+]c1C ZINC000709056479 819784669 /nfs/dbraw/zinc/78/46/69/819784669.db2.gz JJENWGKFLQEXFL-STQMWFEESA-N 2 2 264.373 0.979 20 0 CCADLP Cc1[nH]c(CNC[C@H]2C[N@H+]3CCC[C@H]3CO2)[nH+]c1C ZINC000709056479 819784674 /nfs/dbraw/zinc/78/46/74/819784674.db2.gz JJENWGKFLQEXFL-STQMWFEESA-N 2 2 264.373 0.979 20 0 CCADLP O=S1(=O)CCCN1CC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709955987 819818416 /nfs/dbraw/zinc/81/84/16/819818416.db2.gz ZVLWQNQTBRXFAE-ZDUSSCGKSA-N 2 2 287.429 0.097 20 0 CCADLP O=S1(=O)CCCN1CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709955987 819818424 /nfs/dbraw/zinc/81/84/24/819818424.db2.gz ZVLWQNQTBRXFAE-ZDUSSCGKSA-N 2 2 287.429 0.097 20 0 CCADLP O=S1(=O)CCCN1CC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709955983 819818924 /nfs/dbraw/zinc/81/89/24/819818924.db2.gz ZVLWQNQTBRXFAE-CYBMUJFWSA-N 2 2 287.429 0.097 20 0 CCADLP O=S1(=O)CCCN1CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709955983 819818935 /nfs/dbraw/zinc/81/89/35/819818935.db2.gz ZVLWQNQTBRXFAE-CYBMUJFWSA-N 2 2 287.429 0.097 20 0 CCADLP CC(C)(CNC(=O)[C@H]1CC[C@H]([NH3+])CC1)[NH+]1CCOCC1 ZINC000710866740 819851069 /nfs/dbraw/zinc/85/10/69/819851069.db2.gz ITJGJXXWGHFUKO-JOCQHMNTSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711335363 820005273 /nfs/dbraw/zinc/00/52/73/820005273.db2.gz QQHJTUPOQXIQOA-NWDGAFQWSA-N 2 2 269.389 0.069 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)CC[C@@H]1[NH3+] ZINC001118197614 820088346 /nfs/dbraw/zinc/08/83/46/820088346.db2.gz VLKHQZVMONVNLB-WOPDTQHZSA-N 2 2 260.403 0.480 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)CC[C@@H]1[NH3+] ZINC001118197614 820088354 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VXQKBPYIJHNPMW-CHWSQXEVSA-N 2 2 281.375 0.584 20 0 CCADLP O=C(N1C[C@H]2CC[N@H+](CCF)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001084778397 821390787 /nfs/dbraw/zinc/39/07/87/821390787.db2.gz VXQKBPYIJHNPMW-CHWSQXEVSA-N 2 2 281.375 0.584 20 0 CCADLP COc1cncnc1N1CCC[C@@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155372457 822138011 /nfs/dbraw/zinc/13/80/11/822138011.db2.gz IHDDTFXWBUGOHI-GFCCVEGCSA-N 2 2 277.372 0.345 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]Cc1nncs1 ZINC001129842322 837565470 /nfs/dbraw/zinc/56/54/70/837565470.db2.gz WHIRYLOIXDFVER-LLVKDONJSA-N 2 2 297.428 0.618 20 0 CCADLP C[N@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]Cc1nncs1 ZINC001129842322 837565475 /nfs/dbraw/zinc/56/54/75/837565475.db2.gz WHIRYLOIXDFVER-LLVKDONJSA-N 2 2 297.428 0.618 20 0 CCADLP CC[C@@H](C[NH2+]CCNC(=O)Cc1c[nH+]ccc1OC)OC ZINC001130176188 837712678 /nfs/dbraw/zinc/71/26/78/837712678.db2.gz FOQBRLORIUOXJU-ZDUSSCGKSA-N 2 2 295.383 0.764 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NCC[NH2+]C[C@H](C)OC ZINC001130173865 837717524 /nfs/dbraw/zinc/71/75/24/837717524.db2.gz RPXWZKGVFWXSQT-NSHDSACASA-N 2 2 281.356 0.373 20 0 CCADLP Cn1cncc1C[NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001130265839 837743229 /nfs/dbraw/zinc/74/32/29/837743229.db2.gz AYGYLCJEGUFJHO-UHFFFAOYSA-N 2 2 298.350 0.816 20 0 CCADLP COCC[NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001130266558 837746086 /nfs/dbraw/zinc/74/60/86/837746086.db2.gz ZGIWVJTVWZSXAD-UHFFFAOYSA-N 2 2 262.313 0.529 20 0 CCADLP C[C@@]1(CF)CC(F)(F)CN1C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001157952101 837787438 /nfs/dbraw/zinc/78/74/38/837787438.db2.gz MIBIDHXROHCBSY-ONGXEEELSA-N 2 2 290.289 0.875 20 0 CCADLP CC(C)OCC[NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130406842 837786916 /nfs/dbraw/zinc/78/69/16/837786916.db2.gz GZJRJCDWRMCNFO-ZDUSSCGKSA-N 2 2 294.399 0.576 20 0 CCADLP C[C@@H](O)CCC[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130477899 837801592 /nfs/dbraw/zinc/80/15/92/837801592.db2.gz NNTYYDPUOGGOCZ-CHWSQXEVSA-N 2 2 294.399 0.312 20 0 CCADLP COCCC[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001130490703 837812152 /nfs/dbraw/zinc/81/21/52/837812152.db2.gz GBUSGQARTHBYAZ-GFCCVEGCSA-N 2 2 294.399 0.565 20 0 CCADLP COCCC[NH2+]CCNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001130490703 837812166 /nfs/dbraw/zinc/81/21/66/837812166.db2.gz GBUSGQARTHBYAZ-GFCCVEGCSA-N 2 2 294.399 0.565 20 0 CCADLP COC[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001130490743 837812560 /nfs/dbraw/zinc/81/25/60/837812560.db2.gz HJYSFSJDQCUTBC-PWSUYJOCSA-N 2 2 294.399 0.564 20 0 CCADLP COC[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001130490743 837812570 /nfs/dbraw/zinc/81/25/70/837812570.db2.gz HJYSFSJDQCUTBC-PWSUYJOCSA-N 2 2 294.399 0.564 20 0 CCADLP COC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001130490744 837813151 /nfs/dbraw/zinc/81/31/51/837813151.db2.gz HJYSFSJDQCUTBC-ZYHUDNBSSA-N 2 2 294.399 0.564 20 0 CCADLP COC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001130490744 837813166 /nfs/dbraw/zinc/81/31/66/837813166.db2.gz HJYSFSJDQCUTBC-ZYHUDNBSSA-N 2 2 294.399 0.564 20 0 CCADLP CC(C)[N@@H+]1CCO[C@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001108439703 836111000 /nfs/dbraw/zinc/11/10/00/836111000.db2.gz RSWJYRRNNMRVEN-CQSZACIVSA-N 2 2 280.372 0.499 20 0 CCADLP CC(C)[N@H+]1CCO[C@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001108439703 836111003 /nfs/dbraw/zinc/11/10/03/836111003.db2.gz RSWJYRRNNMRVEN-CQSZACIVSA-N 2 2 280.372 0.499 20 0 CCADLP CCOc1cc(C)nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169066443 836122453 /nfs/dbraw/zinc/12/24/53/836122453.db2.gz CGAOXZDDLIVGBV-SNVBAGLBSA-N 2 2 277.328 0.232 20 0 CCADLP Cn1cnc2cnc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)cc21 ZINC001169072345 836125232 /nfs/dbraw/zinc/12/52/32/836125232.db2.gz RALGYCKQVJLHNO-SECBINFHSA-N 2 2 272.312 0.016 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc(Cn2cncn2)cc1 ZINC001169073930 836126677 /nfs/dbraw/zinc/12/66/77/836126677.db2.gz OEKQTIGEEXSRPL-CYBMUJFWSA-N 2 2 298.350 0.374 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nccc(Cl)n1 ZINC001169074271 836127258 /nfs/dbraw/zinc/12/72/58/836127258.db2.gz IMIWWTBLXNSQIW-SSDOTTSWSA-N 2 2 253.693 0.178 20 0 CCADLP CCOC(=O)c1ccncc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169075817 836130581 /nfs/dbraw/zinc/13/05/81/836130581.db2.gz YRDARKZADSQINM-SNVBAGLBSA-N 2 2 290.323 0.306 20 0 CCADLP C[N@H+](CCO)CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124819 836141300 /nfs/dbraw/zinc/14/13/00/836141300.db2.gz UHZGPDLKYCJZRD-ZSOGYDGISA-N 3 2 255.406 0.515 20 0 CCADLP C[N@@H+](CCO)CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124819 836141302 /nfs/dbraw/zinc/14/13/02/836141302.db2.gz UHZGPDLKYCJZRD-ZSOGYDGISA-N 3 2 255.406 0.515 20 0 CCADLP C[NH+](CCO)CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169124819 836141305 /nfs/dbraw/zinc/14/13/05/836141305.db2.gz UHZGPDLKYCJZRD-ZSOGYDGISA-N 3 2 255.406 0.515 20 0 CCADLP C[NH+](CCO)CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169124819 836141308 /nfs/dbraw/zinc/14/13/08/836141308.db2.gz UHZGPDLKYCJZRD-ZSOGYDGISA-N 3 2 255.406 0.515 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Nc2ccc(C[NH+](C)C)cn2)C[NH2+]1 ZINC001169130971 836147277 /nfs/dbraw/zinc/14/72/77/836147277.db2.gz WQTABKUAUMNCAP-NEPJUHHUSA-N 2 2 278.356 0.459 20 0 CCADLP C[C@H]1CC[C@H](C[NH2+]CCCNC(=O)Cc2[nH]cc[nH+]2)O1 ZINC001169203738 836158474 /nfs/dbraw/zinc/15/84/74/836158474.db2.gz AZPXRECFHWLASP-NWDGAFQWSA-N 2 2 280.372 0.616 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]C[C@@H]1C[C@]12CCOC2 ZINC001169211327 836160802 /nfs/dbraw/zinc/16/08/02/836160802.db2.gz DTGOBHURYBAGEZ-WFASDCNBSA-N 2 2 292.383 0.475 20 0 CCADLP CC[NH+]1CCC([NH2+][C@H]2COCCC23OCCO3)CC1 ZINC001169231318 836167302 /nfs/dbraw/zinc/16/73/02/836167302.db2.gz XJTKPIOCCDZGRE-ZDUSSCGKSA-N 2 2 270.373 0.592 20 0 CCADLP CC[NH+]1CCC([N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)CC1 ZINC001169265842 836170596 /nfs/dbraw/zinc/17/05/96/836170596.db2.gz RWKZUDFHWRERQB-AAEUAGOBSA-N 2 2 251.374 0.539 20 0 CCADLP CC[NH+]1CCC([N@H+]2CC[C@H]3CNC(=O)[C@H]3C2)CC1 ZINC001169265842 836170602 /nfs/dbraw/zinc/17/06/02/836170602.db2.gz RWKZUDFHWRERQB-AAEUAGOBSA-N 2 2 251.374 0.539 20 0 CCADLP Fc1c[nH+]ccc1NCc1ncn2c1C[NH2+]CCC2 ZINC001169240228 836171376 /nfs/dbraw/zinc/17/13/76/836171376.db2.gz FOFWFFQCJOMYQM-UHFFFAOYSA-N 2 2 261.304 0.945 20 0 CCADLP CC[NH+]1CCC([NH2+][C@@H](CCCC[NH3+])C(=O)NC)CC1 ZINC001169244220 836172898 /nfs/dbraw/zinc/17/28/98/836172898.db2.gz IPKCEGWGNVUTEV-ZDUSSCGKSA-N 3 2 270.421 0.304 20 0 CCADLP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCn2cc[nH+]c2)CO1 ZINC001169312908 836192503 /nfs/dbraw/zinc/19/25/03/836192503.db2.gz HHCCNVSQKSCLOC-VXGBXAGGSA-N 2 2 267.329 0.583 20 0 CCADLP Cc1[nH+]cn(-c2ccc(-n3nncc3C[NH3+])nn2)c1C ZINC001169310894 836210691 /nfs/dbraw/zinc/21/06/91/836210691.db2.gz LXVXHKSMWYGLMX-UHFFFAOYSA-N 2 2 270.300 0.319 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO ZINC001109218812 836638455 /nfs/dbraw/zinc/63/84/55/836638455.db2.gz XOYIUGYMUJTQJL-AGIUHOORSA-N 2 2 292.383 0.446 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO ZINC001109218812 836638457 /nfs/dbraw/zinc/63/84/57/836638457.db2.gz XOYIUGYMUJTQJL-AGIUHOORSA-N 2 2 292.383 0.446 20 0 CCADLP Cc1[nH+]ccn1-c1ccc(NC[C@H]2COCC[NH2+]2)nn1 ZINC001170040697 836767694 /nfs/dbraw/zinc/76/76/94/836767694.db2.gz ALZQHDCVPWTULO-NSHDSACASA-N 2 2 274.328 0.371 20 0 CCADLP Cn1cc[nH+]c1CCNC(=O)[C@@H]1C[C@@H](OC(C)(C)C)C[NH2+]1 ZINC001157422279 836999524 /nfs/dbraw/zinc/99/95/24/836999524.db2.gz LFQGNYIYXXCYDV-NEPJUHHUSA-N 2 2 294.399 0.624 20 0 CCADLP CC[N@@H+](C)C(C)(C)C(=O)N1CC[NH+](C[C@@H](C)OC)CC1 ZINC001113033032 837003551 /nfs/dbraw/zinc/00/35/51/837003551.db2.gz WFKLNRDEAWYHEC-CYBMUJFWSA-N 2 2 285.432 0.896 20 0 CCADLP COC[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001184492399 844241395 /nfs/dbraw/zinc/24/13/95/844241395.db2.gz RNMBZLNGPKLIFL-QWHCGFSZSA-N 2 2 294.399 0.578 20 0 CCADLP Cc1nc(N(C)[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001113615557 837177932 /nfs/dbraw/zinc/17/79/32/837177932.db2.gz SXGJTMLYEBYAOD-DGCLKSJQSA-N 2 2 291.399 0.678 20 0 CCADLP Cc1nc(N(C)[C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001113615557 837177936 /nfs/dbraw/zinc/17/79/36/837177936.db2.gz SXGJTMLYEBYAOD-DGCLKSJQSA-N 2 2 291.399 0.678 20 0 CCADLP CC(C)COCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001113629738 837181701 /nfs/dbraw/zinc/18/17/01/837181701.db2.gz WPBYKFTVMZHSPH-OAHLLOKOSA-N 2 2 297.443 0.755 20 0 CCADLP CC(C)COCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001113629738 837181709 /nfs/dbraw/zinc/18/17/09/837181709.db2.gz WPBYKFTVMZHSPH-OAHLLOKOSA-N 2 2 297.443 0.755 20 0 CCADLP Cc1c(CC[NH3+])c(=O)[nH]n1-c1ccn2cc(N)[nH+]c2c1 ZINC001170339550 837320624 /nfs/dbraw/zinc/32/06/24/837320624.db2.gz KSZNVSFYJHKWCD-UHFFFAOYSA-N 2 2 272.312 0.617 20 0 CCADLP C[NH+](C)CCCc1cnn(CC[NH+]2CCOCC2)c1 ZINC001250160758 844275247 /nfs/dbraw/zinc/27/52/47/844275247.db2.gz GKFXEFHQVPQTRF-UHFFFAOYSA-N 2 2 266.389 0.710 20 0 CCADLP Cc1nc2ccccc2c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158204189 837980560 /nfs/dbraw/zinc/98/05/60/837980560.db2.gz MGXNAEZJYMYUAA-LLVKDONJSA-N 2 2 283.335 0.986 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1nccnc1C ZINC001131385694 838071109 /nfs/dbraw/zinc/07/11/09/838071109.db2.gz UQBCACZUWQFOSU-UHFFFAOYSA-N 2 2 288.355 0.196 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1ncc(C)cn1 ZINC001131380563 838079575 /nfs/dbraw/zinc/07/95/75/838079575.db2.gz QYDVBEZKZBIVNS-UHFFFAOYSA-N 2 2 288.355 0.196 20 0 CCADLP CCN(C)c1cc(N[C@H](C)[C@@H]2C[NH2+]CCO2)nc[nH+]1 ZINC001170566077 838120842 /nfs/dbraw/zinc/12/08/42/838120842.db2.gz XCXMBGXDYWPIIU-MNOVXSKESA-N 2 2 265.361 0.722 20 0 CCADLP CCN(C)c1cc(N[C@H](C)[C@@H]2C[NH2+]CCO2)[nH+]cn1 ZINC001170566077 838120838 /nfs/dbraw/zinc/12/08/38/838120838.db2.gz XCXMBGXDYWPIIU-MNOVXSKESA-N 2 2 265.361 0.722 20 0 CCADLP Cc1nocc1C[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131639922 838163318 /nfs/dbraw/zinc/16/33/18/838163318.db2.gz UBQJBUMKKYCUJJ-UHFFFAOYSA-N 2 2 291.355 0.555 20 0 CCADLP COCCOc1cc(N[C@@H](C)[C@H]2C[NH2+]CCO2)cc[nH+]1 ZINC001170577147 838173020 /nfs/dbraw/zinc/17/30/20/838173020.db2.gz YGDWTRBNKJZXKE-WCQYABFASA-N 2 2 281.356 0.896 20 0 CCADLP COCCOc1cc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)cc[nH+]1 ZINC001170577145 838173328 /nfs/dbraw/zinc/17/33/28/838173328.db2.gz YGDWTRBNKJZXKE-AAEUAGOBSA-N 2 2 281.356 0.896 20 0 CCADLP C[C@H]1C[C@H](C[NH2+]CCNC(=O)CCn2cc[nH+]c2)CCO1 ZINC001132082428 838314686 /nfs/dbraw/zinc/31/46/86/838314686.db2.gz NRLWPUGGWOVEDJ-UONOGXRCSA-N 2 2 294.399 0.794 20 0 CCADLP CN(c1ccc(N2CC[NH2+]CC2)c[nH+]1)[C@H]1CCOC1 ZINC001158575563 838362025 /nfs/dbraw/zinc/36/20/25/838362025.db2.gz ZLBUORCPBRFORG-ZDUSSCGKSA-N 2 2 262.357 0.716 20 0 CCADLP C[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C[NH2+]CCO ZINC001132781495 838493465 /nfs/dbraw/zinc/49/34/65/838493465.db2.gz CJLDITDYJGFAOU-STQMWFEESA-N 2 2 294.399 0.409 20 0 CCADLP COCC[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001133664717 838690972 /nfs/dbraw/zinc/69/09/72/838690972.db2.gz YIUUYXROKXOEKR-SNVBAGLBSA-N 2 2 266.345 0.182 20 0 CCADLP CO[C@H](C)C[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001133663311 838691015 /nfs/dbraw/zinc/69/10/15/838691015.db2.gz CWEOVFBVCKWHFA-MNOVXSKESA-N 2 2 280.372 0.570 20 0 CCADLP CC[C@@H](C(=O)NCC[NH2+]Cc1nc(C)no1)[NH+](CC)CC ZINC001133685664 838696070 /nfs/dbraw/zinc/69/60/70/838696070.db2.gz YVRFLJFGLUHEEK-LBPRGKRZSA-N 2 2 297.403 0.704 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C)c1ncccn1 ZINC001133823779 838725329 /nfs/dbraw/zinc/72/53/29/838725329.db2.gz OKMMOUSSBOVKEQ-STQMWFEESA-N 2 2 291.399 0.728 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C)c1ncccn1 ZINC001133823779 838725335 /nfs/dbraw/zinc/72/53/35/838725335.db2.gz OKMMOUSSBOVKEQ-STQMWFEESA-N 2 2 291.399 0.728 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1csnn1 ZINC001133846059 838745178 /nfs/dbraw/zinc/74/51/78/838745178.db2.gz SKBMFOGWCPCRSA-MNOVXSKESA-N 2 2 297.428 0.647 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1)c1csnn1 ZINC001133846059 838745187 /nfs/dbraw/zinc/74/51/87/838745187.db2.gz SKBMFOGWCPCRSA-MNOVXSKESA-N 2 2 297.428 0.647 20 0 CCADLP CCc1noc(C[NH2+]CCNC(=O)[C@H](CC)[NH+](C)C)n1 ZINC001133965972 838798002 /nfs/dbraw/zinc/79/80/02/838798002.db2.gz RRFZVVRLOFXKQT-JTQLQIEISA-N 2 2 283.376 0.178 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]C[C@H]1CCOC1 ZINC001134046221 838841768 /nfs/dbraw/zinc/84/17/68/838841768.db2.gz VOWALGDUSQJDIK-JHJVBQTASA-N 2 2 292.383 0.266 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001185257975 844385368 /nfs/dbraw/zinc/38/53/68/844385368.db2.gz OOQDUYZQOCVSSC-AWEZNQCLSA-N 2 2 291.399 0.292 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001185257975 844385381 /nfs/dbraw/zinc/38/53/81/844385381.db2.gz OOQDUYZQOCVSSC-AWEZNQCLSA-N 2 2 291.399 0.292 20 0 CCADLP Cc1[nH+]cn(-c2ccc(N[C@H]3C[NH2+]C[C@H]3CO)nn2)c1C ZINC001170777132 839101292 /nfs/dbraw/zinc/10/12/92/839101292.db2.gz HLWRRLLKMMAFBL-RYUDHWBXSA-N 2 2 288.355 0.271 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@H]1Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC001170779282 839114406 /nfs/dbraw/zinc/11/44/06/839114406.db2.gz XFNITQPQJNYXAT-QWHCGFSZSA-N 2 2 273.340 0.319 20 0 CCADLP CC(C)C[NH2+]CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001135071961 839151033 /nfs/dbraw/zinc/15/10/33/839151033.db2.gz NHYYULLSVQTMLC-LLVKDONJSA-N 2 2 252.362 0.950 20 0 CCADLP CC(C)C[NH2+]CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001135071961 839151036 /nfs/dbraw/zinc/15/10/36/839151036.db2.gz NHYYULLSVQTMLC-LLVKDONJSA-N 2 2 252.362 0.950 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1C[NH2+]CCCO ZINC001185370442 844410193 /nfs/dbraw/zinc/41/01/93/844410193.db2.gz KRKUJESMVVIGQR-CHWSQXEVSA-N 2 2 294.399 0.409 20 0 CCADLP C[C@H]1CC[C@H](C[NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)O1 ZINC001135757612 839392509 /nfs/dbraw/zinc/39/25/09/839392509.db2.gz HTUAWMJMGBIBAV-WDEREUQCSA-N 2 2 266.345 0.226 20 0 CCADLP CC[C@H](C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1)OC ZINC001135758079 839395628 /nfs/dbraw/zinc/39/56/28/839395628.db2.gz XSICVLIFQRKKQI-SNVBAGLBSA-N 2 2 254.334 0.083 20 0 CCADLP C[C@@H](C[C@H](C)[NH2+]CCCO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135799245 839418646 /nfs/dbraw/zinc/41/86/46/839418646.db2.gz UHHLBKAMWXATNG-QWRGUYRKSA-N 2 2 268.361 0.208 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001185586731 844435010 /nfs/dbraw/zinc/43/50/10/844435010.db2.gz WBUOZAKGEWRWNJ-NEPJUHHUSA-N 2 2 292.383 0.667 20 0 CCADLP COc1ccc2[nH+]ccc(N[C@@H]([NH3+])CCC[NH3+])c2n1 ZINC001170900845 839548721 /nfs/dbraw/zinc/54/87/21/839548721.db2.gz YQUILXLQRWIHDE-LLVKDONJSA-N 3 2 261.329 0.496 20 0 CCADLP COCC[N@@H+]1CCC[C@]12CCN(Cc1c[nH+]cn1C)C2=O ZINC001273509515 844459690 /nfs/dbraw/zinc/45/96/90/844459690.db2.gz WCLPOYUPGWZFEG-OAHLLOKOSA-N 2 2 292.383 0.633 20 0 CCADLP COCC[N@H+]1CCC[C@]12CCN(Cc1c[nH+]cn1C)C2=O ZINC001273509515 844459692 /nfs/dbraw/zinc/45/96/92/844459692.db2.gz WCLPOYUPGWZFEG-OAHLLOKOSA-N 2 2 292.383 0.633 20 0 CCADLP CCCCOCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001185925344 844475787 /nfs/dbraw/zinc/47/57/87/844475787.db2.gz LYOOTRHNRKZBMZ-CYBMUJFWSA-N 2 2 294.399 0.959 20 0 CCADLP CC(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090847770 839852001 /nfs/dbraw/zinc/85/20/01/839852001.db2.gz BLFGOWATWGAOON-KBPBESRZSA-N 2 2 294.399 0.481 20 0 CCADLP CC(C)CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090847770 839852005 /nfs/dbraw/zinc/85/20/05/839852005.db2.gz BLFGOWATWGAOON-KBPBESRZSA-N 2 2 294.399 0.481 20 0 CCADLP C[C@H](O)C[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171153015 839986402 /nfs/dbraw/zinc/98/64/02/839986402.db2.gz VOICWDRHFVEEQP-STQMWFEESA-N 2 2 296.415 0.988 20 0 CCADLP C[C@H](O)C[NH2+]CCCC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171153015 839986405 /nfs/dbraw/zinc/98/64/05/839986405.db2.gz VOICWDRHFVEEQP-STQMWFEESA-N 2 2 296.415 0.988 20 0 CCADLP O=C(NCC1CC([NH2+]CCO)C1)c1cccc2[nH+]ccn21 ZINC001091141868 840063945 /nfs/dbraw/zinc/06/39/45/840063945.db2.gz QCCWOILESALZQK-UHFFFAOYSA-N 2 2 288.351 0.425 20 0 CCADLP [NH3+]C[C@]1(F)CCCC[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246573363 840079499 /nfs/dbraw/zinc/07/94/99/840079499.db2.gz BZCPDGJRJLPLKC-QWHCGFSZSA-N 3 2 270.396 0.233 20 0 CCADLP [NH3+]C[C@]1(F)CCCC[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246573363 840079506 /nfs/dbraw/zinc/07/95/06/840079506.db2.gz BZCPDGJRJLPLKC-QWHCGFSZSA-N 3 2 270.396 0.233 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N(C(C)C)[C@@H]2CCC[NH2+]CC2)C[NH2+]1 ZINC001246596880 840155658 /nfs/dbraw/zinc/15/56/58/840155658.db2.gz VRXMEJNEKZKJSG-RDBSUJKOSA-N 2 2 283.416 0.742 20 0 CCADLP CCc1noc(C[NH2+]CCNC(=O)CC[N@@H+](C)CC)n1 ZINC001146711113 840352661 /nfs/dbraw/zinc/35/26/61/840352661.db2.gz OTIQSEBDXWMMOD-UHFFFAOYSA-N 2 2 283.376 0.180 20 0 CCADLP CCc1noc(C[NH2+]CCNC(=O)CC[N@H+](C)CC)n1 ZINC001146711113 840352673 /nfs/dbraw/zinc/35/26/73/840352673.db2.gz OTIQSEBDXWMMOD-UHFFFAOYSA-N 2 2 283.376 0.180 20 0 CCADLP CC[NH+]1CCC(C(=O)N2CCc3[nH+]ccn3CC2)CC1 ZINC001146782753 840365894 /nfs/dbraw/zinc/36/58/94/840365894.db2.gz SIRWVGMOVSGZBF-UHFFFAOYSA-N 2 2 276.384 1.000 20 0 CCADLP C[C@@H]1C[C@H](N2CC([NH+]3C[C@H](C)O[C@@H](C)C3)C2)CC[NH2+]1 ZINC001246985553 840677314 /nfs/dbraw/zinc/67/73/14/840677314.db2.gz CQMNVFRRGZNNNF-ZOBORPQBSA-N 2 2 267.417 0.920 20 0 CCADLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@H+](CCCO)C2 ZINC001092049419 840989792 /nfs/dbraw/zinc/98/97/92/840989792.db2.gz DLXLQMMZTGZQHO-DOMZBBRYSA-N 2 2 292.383 0.115 20 0 CCADLP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC001186824970 844606221 /nfs/dbraw/zinc/60/62/21/844606221.db2.gz SSTXYYREGPBLLW-LLVKDONJSA-N 2 2 297.428 0.570 20 0 CCADLP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC001186824970 844606226 /nfs/dbraw/zinc/60/62/26/844606226.db2.gz SSTXYYREGPBLLW-LLVKDONJSA-N 2 2 297.428 0.570 20 0 CCADLP CN(C)S(=O)(=O)CCC[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000713140856 841121847 /nfs/dbraw/zinc/12/18/47/841121847.db2.gz OSTKGSKTIRDYHF-UHFFFAOYSA-N 2 2 289.445 0.486 20 0 CCADLP CN(C)S(=O)(=O)CCC[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713140856 841121853 /nfs/dbraw/zinc/12/18/53/841121853.db2.gz OSTKGSKTIRDYHF-UHFFFAOYSA-N 2 2 289.445 0.486 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715404887 841323762 /nfs/dbraw/zinc/32/37/62/841323762.db2.gz QYFZJULUPJIVGQ-MXWKQRLJSA-N 2 2 264.316 0.122 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715404887 841323774 /nfs/dbraw/zinc/32/37/74/841323774.db2.gz QYFZJULUPJIVGQ-MXWKQRLJSA-N 2 2 264.316 0.122 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715404887 841323747 /nfs/dbraw/zinc/32/37/47/841323747.db2.gz QYFZJULUPJIVGQ-MXWKQRLJSA-N 2 2 264.316 0.122 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715404887 841323758 /nfs/dbraw/zinc/32/37/58/841323758.db2.gz QYFZJULUPJIVGQ-MXWKQRLJSA-N 2 2 264.316 0.122 20 0 CCADLP Cc1nc(NCCNC(=O)[C@@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001093638606 841391192 /nfs/dbraw/zinc/39/11/92/841391192.db2.gz DIUXBSPDWRCDKO-LLVKDONJSA-N 2 2 263.345 0.265 20 0 CCADLP Cc1nc(NCCNC(=O)[C@@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001093638606 841391203 /nfs/dbraw/zinc/39/12/03/841391203.db2.gz DIUXBSPDWRCDKO-LLVKDONJSA-N 2 2 263.345 0.265 20 0 CCADLP Cc1nc(NCCNC(=O)C[N@@H+](C)C(C)C)cc[nH+]1 ZINC001093674091 841421022 /nfs/dbraw/zinc/42/10/22/841421022.db2.gz NZHDJTKTUUVKCB-UHFFFAOYSA-N 2 2 265.361 0.653 20 0 CCADLP Cc1nc(NCCNC(=O)C[N@H+](C)C(C)C)cc[nH+]1 ZINC001093674091 841421030 /nfs/dbraw/zinc/42/10/30/841421030.db2.gz NZHDJTKTUUVKCB-UHFFFAOYSA-N 2 2 265.361 0.653 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCCNc1cc(C)[nH+]c(C)n1 ZINC001094008247 841508472 /nfs/dbraw/zinc/50/84/72/841508472.db2.gz JJKCJSUFRRXLDB-UHFFFAOYSA-N 2 2 288.355 0.827 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CC(=O)N(CC2CC2)C1 ZINC000716774864 841680235 /nfs/dbraw/zinc/68/02/35/841680235.db2.gz XFHPCQFOFQPKTE-UHTWSYAYSA-N 2 2 251.374 0.727 20 0 CCADLP CCC[N@H+](C)CC(=O)NCCC[NH2+][C@H](C)c1noc(C)n1 ZINC001171762556 841760928 /nfs/dbraw/zinc/76/09/28/841760928.db2.gz FRBCUFRYJIVYFZ-LLVKDONJSA-N 2 2 297.403 0.877 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCCC[NH2+][C@H](C)c1noc(C)n1 ZINC001171762556 841760932 /nfs/dbraw/zinc/76/09/32/841760932.db2.gz FRBCUFRYJIVYFZ-LLVKDONJSA-N 2 2 297.403 0.877 20 0 CCADLP COC(=O)[C@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCN1C ZINC001172127747 841836954 /nfs/dbraw/zinc/83/69/54/841836954.db2.gz LFXULTIEQVMDOM-LXTVHRRPSA-N 2 2 295.427 0.791 20 0 CCADLP COC(=O)[C@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCN1C ZINC001172127747 841836966 /nfs/dbraw/zinc/83/69/66/841836966.db2.gz LFXULTIEQVMDOM-LXTVHRRPSA-N 2 2 295.427 0.791 20 0 CCADLP COC(=O)[C@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCN1C ZINC001172127747 841836980 /nfs/dbraw/zinc/83/69/80/841836980.db2.gz LFXULTIEQVMDOM-LXTVHRRPSA-N 2 2 295.427 0.791 20 0 CCADLP COC(=O)[C@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCN1C ZINC001172127747 841836993 /nfs/dbraw/zinc/83/69/93/841836993.db2.gz LFXULTIEQVMDOM-LXTVHRRPSA-N 2 2 295.427 0.791 20 0 CCADLP CN1[C@H]2COC[C@@H]1CC([N@@H+]1C[C@@H]3CCC[NH+](C)[C@@H]3C1)C2 ZINC001172140733 841844644 /nfs/dbraw/zinc/84/46/44/841844644.db2.gz KGXAAAFWAKOTAX-NIOBXDJOSA-N 2 2 279.428 0.874 20 0 CCADLP CN1[C@H]2COC[C@@H]1CC([N@H+]1C[C@@H]3CCC[NH+](C)[C@@H]3C1)C2 ZINC001172140733 841844651 /nfs/dbraw/zinc/84/46/51/841844651.db2.gz KGXAAAFWAKOTAX-NIOBXDJOSA-N 2 2 279.428 0.874 20 0 CCADLP CN1[C@H]2COC[C@@H]1CC([NH+]1C[C@@H]3CCC[N@H+](C)[C@@H]3C1)C2 ZINC001172140733 841844658 /nfs/dbraw/zinc/84/46/58/841844658.db2.gz KGXAAAFWAKOTAX-NIOBXDJOSA-N 2 2 279.428 0.874 20 0 CCADLP CN1[C@H]2COC[C@@H]1CC([NH+]1C[C@@H]3CCC[N@@H+](C)[C@@H]3C1)C2 ZINC001172140733 841844662 /nfs/dbraw/zinc/84/46/62/841844662.db2.gz KGXAAAFWAKOTAX-NIOBXDJOSA-N 2 2 279.428 0.874 20 0 CCADLP CN(C)c1cc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)[nH+]cn1 ZINC000096207235 841938894 /nfs/dbraw/zinc/93/88/94/841938894.db2.gz CNEGGNOWEJXUJO-SMDDNHRTSA-N 2 2 277.372 0.866 20 0 CCADLP CN(C)c1cc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)nc[nH+]1 ZINC000096207235 841938899 /nfs/dbraw/zinc/93/88/99/841938899.db2.gz CNEGGNOWEJXUJO-SMDDNHRTSA-N 2 2 277.372 0.866 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]C[C@@H]1CCCCO1 ZINC001174690116 842200223 /nfs/dbraw/zinc/20/02/23/842200223.db2.gz AYLLQNGPMJUPNA-ZDUSSCGKSA-N 2 2 294.399 0.926 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001176675594 842399263 /nfs/dbraw/zinc/39/92/63/842399263.db2.gz KMLAPKATBHJWAB-CQSZACIVSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@H](CCCC[NH2+][C@@H](C)C(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001176828930 842417055 /nfs/dbraw/zinc/41/70/55/842417055.db2.gz HHNSJFAPFKSSGC-RYUDHWBXSA-N 2 2 295.387 0.022 20 0 CCADLP Cc1nc([C@@H](C)[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C)no1 ZINC001176972301 842472950 /nfs/dbraw/zinc/47/29/50/842472950.db2.gz VQDLEDKXHNIACN-LLVKDONJSA-N 2 2 297.403 0.875 20 0 CCADLP Cc1nc([C@@H](C)[NH2+]CCCNC(=O)C[N@H+](C)C(C)C)no1 ZINC001176972301 842472956 /nfs/dbraw/zinc/47/29/56/842472956.db2.gz VQDLEDKXHNIACN-LLVKDONJSA-N 2 2 297.403 0.875 20 0 CCADLP C[C@H]1CC[C@H](C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)O1 ZINC001177405953 842578045 /nfs/dbraw/zinc/57/80/45/842578045.db2.gz SWGYVAHKJJDCAU-QWHCGFSZSA-N 2 2 280.372 0.547 20 0 CCADLP COCCC1([NH3+])CCN(C(=O)[C@@H](C)n2cc[nH+]c2)CC1 ZINC001177929523 842716672 /nfs/dbraw/zinc/71/66/72/842716672.db2.gz MWGNDXNPNQSSCA-GFCCVEGCSA-N 2 2 280.372 0.801 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCCCCC[NH2+]CCO ZINC001179180306 842967549 /nfs/dbraw/zinc/96/75/49/842967549.db2.gz RCYXAOYJCMQDCB-UHFFFAOYSA-N 2 2 282.388 0.532 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001179264278 842981627 /nfs/dbraw/zinc/98/16/27/842981627.db2.gz FKRBUCIGOGNGIG-IHRRRGAJSA-N 2 2 294.399 0.887 20 0 CCADLP C[N@H+](CC(=O)NCCn1cc[nH+]c1)C1CCCC1 ZINC001180624696 843215873 /nfs/dbraw/zinc/21/58/73/843215873.db2.gz GPOJOZDQLSKSOA-UHFFFAOYSA-N 2 2 250.346 0.874 20 0 CCADLP C[N@@H+](CC(=O)NCCn1cc[nH+]c1)C1CCCC1 ZINC001180624696 843215885 /nfs/dbraw/zinc/21/58/85/843215885.db2.gz GPOJOZDQLSKSOA-UHFFFAOYSA-N 2 2 250.346 0.874 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)CC23CCC[NH+]2CCC3)C1 ZINC001181108872 843402005 /nfs/dbraw/zinc/40/20/05/843402005.db2.gz RHCZRJZZKWAHQJ-ZDUSSCGKSA-N 2 2 281.400 0.452 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)CC23CCC[NH+]2CCC3)C1 ZINC001181108872 843402009 /nfs/dbraw/zinc/40/20/09/843402009.db2.gz RHCZRJZZKWAHQJ-ZDUSSCGKSA-N 2 2 281.400 0.452 20 0 CCADLP CCCCC[N@H+](C)CCC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC001181867109 843632496 /nfs/dbraw/zinc/63/24/96/843632496.db2.gz NMQWZZCNVFHPIS-CQSZACIVSA-N 2 2 285.432 0.945 20 0 CCADLP CCCCC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC001181867109 843632500 /nfs/dbraw/zinc/63/25/00/843632500.db2.gz NMQWZZCNVFHPIS-CQSZACIVSA-N 2 2 285.432 0.945 20 0 CCADLP CCCCC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC001181867109 843632505 /nfs/dbraw/zinc/63/25/05/843632505.db2.gz NMQWZZCNVFHPIS-CQSZACIVSA-N 2 2 285.432 0.945 20 0 CCADLP CCCCC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC001181867109 843632509 /nfs/dbraw/zinc/63/25/09/843632509.db2.gz NMQWZZCNVFHPIS-CQSZACIVSA-N 2 2 285.432 0.945 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001181981539 843658816 /nfs/dbraw/zinc/65/88/16/843658816.db2.gz FZIHKUQRXIGXPY-CYBMUJFWSA-N 2 2 294.399 0.876 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)[C@@H]1CC[N@H+](C(C)C)C1 ZINC001181981539 843658818 /nfs/dbraw/zinc/65/88/18/843658818.db2.gz FZIHKUQRXIGXPY-CYBMUJFWSA-N 2 2 294.399 0.876 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)C2(C)CC[NH+](C)CC2)c1 ZINC001181990477 843664388 /nfs/dbraw/zinc/66/43/88/843664388.db2.gz SQIZNLOCTWMROO-UHFFFAOYSA-N 2 2 264.373 0.811 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC001182010884 843690944 /nfs/dbraw/zinc/69/09/44/843690944.db2.gz OJKDCQRBYHYVJN-ZDUSSCGKSA-N 2 2 262.357 0.421 20 0 CCADLP COc1cc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)ccc1F ZINC001206511998 843819150 /nfs/dbraw/zinc/81/91/50/843819150.db2.gz GDYXPRLPYIANOH-JQWIXIFHSA-N 2 2 254.305 0.586 20 0 CCADLP COc1cc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)ccc1F ZINC001206511998 843819138 /nfs/dbraw/zinc/81/91/38/843819138.db2.gz GDYXPRLPYIANOH-JQWIXIFHSA-N 2 2 254.305 0.586 20 0 CCADLP Cc1c[nH]c(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)[nH+]1 ZINC001183363387 844007781 /nfs/dbraw/zinc/00/77/81/844007781.db2.gz UKQQWBFVZWSNCF-GFCCVEGCSA-N 2 2 252.362 0.963 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001187420647 844723157 /nfs/dbraw/zinc/72/31/57/844723157.db2.gz PULDMOMFLOZKAJ-CMPLNLGQSA-N 2 2 280.372 0.486 20 0 CCADLP COCCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001189246744 845088002 /nfs/dbraw/zinc/08/80/02/845088002.db2.gz RTWHAHZIYMQYCL-GXTWGEPZSA-N 2 2 292.383 0.521 20 0 CCADLP COCCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001189246744 845088015 /nfs/dbraw/zinc/08/80/15/845088015.db2.gz RTWHAHZIYMQYCL-GXTWGEPZSA-N 2 2 292.383 0.521 20 0 CCADLP CCN(CC[NH2+]Cc1cnon1)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001273597188 845381038 /nfs/dbraw/zinc/38/10/38/845381038.db2.gz OEYRLLLFIFSLIJ-CYBMUJFWSA-N 2 2 297.403 0.594 20 0 CCADLP COC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001191633675 845699469 /nfs/dbraw/zinc/69/94/69/845699469.db2.gz SMJOIRRBFHWRGR-KGLIPLIRSA-N 2 2 294.399 0.841 20 0 CCADLP COC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001191633675 845699474 /nfs/dbraw/zinc/69/94/74/845699474.db2.gz SMJOIRRBFHWRGR-KGLIPLIRSA-N 2 2 294.399 0.841 20 0 CCADLP COCCC[N@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001191633723 845699627 /nfs/dbraw/zinc/69/96/27/845699627.db2.gz SZJQPARYJDQEMQ-CQSZACIVSA-N 2 2 294.399 0.842 20 0 CCADLP COCCC[N@@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001191633723 845699630 /nfs/dbraw/zinc/69/96/30/845699630.db2.gz SZJQPARYJDQEMQ-CQSZACIVSA-N 2 2 294.399 0.842 20 0 CCADLP Cn1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001192153338 845794151 /nfs/dbraw/zinc/79/41/51/845794151.db2.gz OXOTUISYRXLJBU-CQSZACIVSA-N 2 2 293.415 0.405 20 0 CCADLP Cn1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001192153338 845794157 /nfs/dbraw/zinc/79/41/57/845794157.db2.gz OXOTUISYRXLJBU-CQSZACIVSA-N 2 2 293.415 0.405 20 0 CCADLP CCOCC[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192558993 845868431 /nfs/dbraw/zinc/86/84/31/845868431.db2.gz FXNCAXGHXDWILS-ZDUSSCGKSA-N 2 2 280.372 0.521 20 0 CCADLP CCOCC[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192558993 845868438 /nfs/dbraw/zinc/86/84/38/845868438.db2.gz FXNCAXGHXDWILS-ZDUSSCGKSA-N 2 2 280.372 0.521 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]([N@H+](C)CCCO)C1 ZINC001192779930 845907409 /nfs/dbraw/zinc/90/74/09/845907409.db2.gz XUCAIUQOAMIKDT-TZMCWYRMSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]([N@@H+](C)CCCO)C1 ZINC001192779930 845907414 /nfs/dbraw/zinc/90/74/14/845907414.db2.gz XUCAIUQOAMIKDT-TZMCWYRMSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]([N@H+](C)CCCO)C1 ZINC001192779930 845907417 /nfs/dbraw/zinc/90/74/17/845907417.db2.gz XUCAIUQOAMIKDT-TZMCWYRMSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]([N@@H+](C)CCCO)C1 ZINC001192779930 845907420 /nfs/dbraw/zinc/90/74/20/845907420.db2.gz XUCAIUQOAMIKDT-TZMCWYRMSA-N 2 2 294.399 0.503 20 0 CCADLP COCC[N@@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001193786289 846152483 /nfs/dbraw/zinc/15/24/83/846152483.db2.gz GATZCWMAYNZFHR-CQSZACIVSA-N 2 2 294.399 0.532 20 0 CCADLP COC(=O)c1cc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)ccn1 ZINC001205688848 846473643 /nfs/dbraw/zinc/47/36/43/846473643.db2.gz KZGGGWBRUKXOHF-OAHLLOKOSA-N 2 2 293.367 0.544 20 0 CCADLP COC(=O)c1cc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)ccn1 ZINC001205688848 846473654 /nfs/dbraw/zinc/47/36/54/846473654.db2.gz KZGGGWBRUKXOHF-OAHLLOKOSA-N 2 2 293.367 0.544 20 0 CCADLP C[NH+](C)CC1(C(=O)N2CCC[N@H+](CCF)CC2)CC1 ZINC001196953432 846825512 /nfs/dbraw/zinc/82/55/12/846825512.db2.gz PPGZIMRBWZDPTD-UHFFFAOYSA-N 2 2 271.380 0.832 20 0 CCADLP C[NH+](C)CC1(C(=O)N2CCC[N@@H+](CCF)CC2)CC1 ZINC001196953432 846825523 /nfs/dbraw/zinc/82/55/23/846825523.db2.gz PPGZIMRBWZDPTD-UHFFFAOYSA-N 2 2 271.380 0.832 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](F)CC)C[C@H]1O ZINC001198030282 847031688 /nfs/dbraw/zinc/03/16/88/847031688.db2.gz XKZMIDQTKRDYLG-JHJVBQTASA-N 2 2 289.395 0.238 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@H](F)CC)C[C@H]1O ZINC001198030282 847031692 /nfs/dbraw/zinc/03/16/92/847031692.db2.gz XKZMIDQTKRDYLG-JHJVBQTASA-N 2 2 289.395 0.238 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@H](F)CC)C[C@H]1O ZINC001198030282 847031699 /nfs/dbraw/zinc/03/16/99/847031699.db2.gz XKZMIDQTKRDYLG-JHJVBQTASA-N 2 2 289.395 0.238 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](F)CC)C[C@H]1O ZINC001198030282 847031702 /nfs/dbraw/zinc/03/17/02/847031702.db2.gz XKZMIDQTKRDYLG-JHJVBQTASA-N 2 2 289.395 0.238 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](F)CC)C[C@H]1O ZINC001198030283 847031818 /nfs/dbraw/zinc/03/18/18/847031818.db2.gz XKZMIDQTKRDYLG-YNEHKIRRSA-N 2 2 289.395 0.238 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](F)CC)C[C@H]1O ZINC001198030283 847031824 /nfs/dbraw/zinc/03/18/24/847031824.db2.gz XKZMIDQTKRDYLG-YNEHKIRRSA-N 2 2 289.395 0.238 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](F)CC)C[C@H]1O ZINC001198030283 847031831 /nfs/dbraw/zinc/03/18/31/847031831.db2.gz XKZMIDQTKRDYLG-YNEHKIRRSA-N 2 2 289.395 0.238 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](F)CC)C[C@H]1O ZINC001198030283 847031837 /nfs/dbraw/zinc/03/18/37/847031837.db2.gz XKZMIDQTKRDYLG-YNEHKIRRSA-N 2 2 289.395 0.238 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C)oc1C ZINC001152439515 847090071 /nfs/dbraw/zinc/09/00/71/847090071.db2.gz OATICQLOEYRASZ-UHFFFAOYSA-N 2 2 282.388 0.837 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)C[N@H+](C)C(C)C)oc1C ZINC001152439515 847090078 /nfs/dbraw/zinc/09/00/78/847090078.db2.gz OATICQLOEYRASZ-UHFFFAOYSA-N 2 2 282.388 0.837 20 0 CCADLP C=CS(=O)(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001198579605 847139251 /nfs/dbraw/zinc/13/92/51/847139251.db2.gz YNHFLHOCERKZHS-UHFFFAOYSA-N 2 2 282.369 0.719 20 0 CCADLP CCN(CC[NH2+]Cc1cnns1)C(=O)Cn1cc[nH+]c1 ZINC001273778641 847205791 /nfs/dbraw/zinc/20/57/91/847205791.db2.gz MLCVMZOGPUSSSD-UHFFFAOYSA-N 2 2 294.384 0.373 20 0 CCADLP COCCCNC(=O)c1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001199356329 847299667 /nfs/dbraw/zinc/29/96/67/847299667.db2.gz VZRXKHGSBGESRO-UHFFFAOYSA-N 2 2 292.383 0.600 20 0 CCADLP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001199397892 847311988 /nfs/dbraw/zinc/31/19/88/847311988.db2.gz FLCFVIZMCYSQAY-CHWSQXEVSA-N 2 2 280.372 0.235 20 0 CCADLP C[NH+]1CC(NC(=S)NCC[NH+]2CCCCC2)C1 ZINC001200439923 847625980 /nfs/dbraw/zinc/62/59/80/847625980.db2.gz ZCZFRFZYVOBHFR-UHFFFAOYSA-N 2 2 256.419 0.250 20 0 CCADLP CN1CC[C@]2(CCC[N@@H+]2C[C@H](O)C[NH2+]C(C)(C)C)C1=O ZINC001273868257 847703736 /nfs/dbraw/zinc/70/37/36/847703736.db2.gz NHLWUYNWJLTXKT-IUODEOHRSA-N 2 2 283.416 0.432 20 0 CCADLP CN1CC[C@]2(CCC[N@H+]2C[C@H](O)C[NH2+]C(C)(C)C)C1=O ZINC001273868257 847703741 /nfs/dbraw/zinc/70/37/41/847703741.db2.gz NHLWUYNWJLTXKT-IUODEOHRSA-N 2 2 283.416 0.432 20 0 CCADLP Cc1cnc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001273909886 847819278 /nfs/dbraw/zinc/81/92/78/847819278.db2.gz LCBHATSNRCTYFM-DHCBQETCSA-N 2 2 292.383 0.839 20 0 CCADLP CCC(=O)C[N@@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001273950653 847919994 /nfs/dbraw/zinc/91/99/94/847919994.db2.gz JFXUYKKWNHPISR-OAHLLOKOSA-N 2 2 281.400 0.594 20 0 CCADLP CCC(=O)C[N@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001273950653 847920006 /nfs/dbraw/zinc/92/00/06/847920006.db2.gz JFXUYKKWNHPISR-OAHLLOKOSA-N 2 2 281.400 0.594 20 0 CCADLP CCCCOC[C@@H](O)C[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001252540147 847998258 /nfs/dbraw/zinc/99/82/58/847998258.db2.gz KEKMVFYSXQBSIQ-ZDUSSCGKSA-N 2 2 274.405 0.210 20 0 CCADLP O=C1CO[C@@]2(CC[N@@H+](C3CC3)C2)CN1CCn1cc[nH+]c1 ZINC001274015603 848301664 /nfs/dbraw/zinc/30/16/64/848301664.db2.gz DWJDCTVNLNNRSN-OAHLLOKOSA-N 2 2 290.367 0.349 20 0 CCADLP O=C1CO[C@@]2(CC[N@H+](C3CC3)C2)CN1CCn1cc[nH+]c1 ZINC001274015603 848301669 /nfs/dbraw/zinc/30/16/69/848301669.db2.gz DWJDCTVNLNNRSN-OAHLLOKOSA-N 2 2 290.367 0.349 20 0 CCADLP CCOCC[N@H+](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001275707012 848797318 /nfs/dbraw/zinc/79/73/18/848797318.db2.gz PBTFUGNCGPXKHY-NSHDSACASA-N 2 2 282.388 0.734 20 0 CCADLP CCOCC[N@@H+](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001275707012 848797320 /nfs/dbraw/zinc/79/73/20/848797320.db2.gz PBTFUGNCGPXKHY-NSHDSACASA-N 2 2 282.388 0.734 20 0 CCADLP C[N@@H+]1C[C@@H]2COC[C@H](C1)N2Cc1ccn2cc[nH+]c2c1 ZINC001276206407 848962022 /nfs/dbraw/zinc/96/20/22/848962022.db2.gz HOFIZWQYMWRNDM-OKILXGFUSA-N 2 2 272.352 0.849 20 0 CCADLP C[N@H+]1C[C@@H]2COC[C@H](C1)N2Cc1ccn2cc[nH+]c2c1 ZINC001276206407 848962027 /nfs/dbraw/zinc/96/20/27/848962027.db2.gz HOFIZWQYMWRNDM-OKILXGFUSA-N 2 2 272.352 0.849 20 0 CCADLP Cc1ncoc1C[NH+]1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001276211950 848963860 /nfs/dbraw/zinc/96/38/60/848963860.db2.gz HGSNLBIPRVETLO-UHFFFAOYSA-N 2 2 264.373 0.662 20 0 CCADLP Cn1cc(C[NH+]2CC3(CN(CC[NH+](C)C)C3)C2)cn1 ZINC001276223459 848965648 /nfs/dbraw/zinc/96/56/48/848965648.db2.gz MYOAYQBLBKGGCT-UHFFFAOYSA-N 2 2 263.389 0.099 20 0 CCADLP Cn1cnc(C[N@H+]2[C@@H]3CC[C@H]2CN(CC[NH+](C)C)C3)c1 ZINC001276272437 848979723 /nfs/dbraw/zinc/97/97/23/848979723.db2.gz IYSOUTVJHWMYLY-GASCZTMLSA-N 2 2 277.416 0.630 20 0 CCADLP Cn1cnc(C[N@@H+]2[C@@H]3CC[C@H]2CN(CC[NH+](C)C)C3)c1 ZINC001276272437 848979729 /nfs/dbraw/zinc/97/97/29/848979729.db2.gz IYSOUTVJHWMYLY-GASCZTMLSA-N 2 2 277.416 0.630 20 0 CCADLP CO[C@@H]1CCC[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000718297522 849248012 /nfs/dbraw/zinc/24/80/12/849248012.db2.gz GWCNIALQCTZYMD-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CCO ZINC001037937329 849610115 /nfs/dbraw/zinc/61/01/15/849610115.db2.gz ZFQGJDXLUJGUTK-AAEUAGOBSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]CCCn1cc[nH+]c1 ZINC000381357215 849753794 /nfs/dbraw/zinc/75/37/94/849753794.db2.gz NQKPZBPZBQCFMW-NWDGAFQWSA-N 2 2 250.346 0.920 20 0 CCADLP [NH3+]Cc1ncc(C(=O)NCC[NH+]2CCCCC2)s1 ZINC000720183605 849791733 /nfs/dbraw/zinc/79/17/33/849791733.db2.gz JPMFTDHDNPGWRI-UHFFFAOYSA-N 2 2 268.386 0.818 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCO ZINC001040006883 850250693 /nfs/dbraw/zinc/25/06/93/850250693.db2.gz UXVBPQCTEUWKOK-OKILXGFUSA-N 2 2 292.383 0.249 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCO ZINC001040006883 850250760 /nfs/dbraw/zinc/25/07/60/850250760.db2.gz UXVBPQCTEUWKOK-OKILXGFUSA-N 2 2 292.383 0.249 20 0 CCADLP C[C@@H](F)CC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042546079 850690136 /nfs/dbraw/zinc/69/01/36/850690136.db2.gz QCTVQQARSIRGGV-DGCLKSJQSA-N 2 2 271.380 0.971 20 0 CCADLP C[C@@H](F)CC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001042546079 850690140 /nfs/dbraw/zinc/69/01/40/850690140.db2.gz QCTVQQARSIRGGV-DGCLKSJQSA-N 2 2 271.380 0.971 20 0 CCADLP CCC[NH+]1CC(N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001043361016 850858461 /nfs/dbraw/zinc/85/84/61/850858461.db2.gz GZMICTDMYMRJTB-UHFFFAOYSA-N 2 2 250.346 0.744 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N(C)C1C[NH+](C(C)C)C1 ZINC001043361518 850859964 /nfs/dbraw/zinc/85/99/64/850859964.db2.gz JTIVEZNUQBSWOT-UHFFFAOYSA-N 2 2 250.346 0.743 20 0 CCADLP CN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)C1C[NH+](CCCO)C1 ZINC001044030671 850989048 /nfs/dbraw/zinc/98/90/48/850989048.db2.gz OAICDILSCZVEGW-HIFRSBDPSA-N 2 2 295.427 0.528 20 0 CCADLP CN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)C1C[NH+](CCCO)C1 ZINC001044030671 850989055 /nfs/dbraw/zinc/98/90/55/850989055.db2.gz OAICDILSCZVEGW-HIFRSBDPSA-N 2 2 295.427 0.528 20 0 CCADLP CN(C(=O)C[NH+]1CCCC1)C1C[NH+](C[C@@H]2CCCCO2)C1 ZINC001044297112 851068733 /nfs/dbraw/zinc/06/87/33/851068733.db2.gz YYAXHSUUVMHCSR-HNNXBMFYSA-N 2 2 295.427 0.794 20 0 CCADLP COC[C@H](C)[NH+]1CC(N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001044300582 851071630 /nfs/dbraw/zinc/07/16/30/851071630.db2.gz WIFIYFPHJFNDIC-NSHDSACASA-N 2 2 280.372 0.369 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCO)CCN1C(=O)CCc1c[nH+]cn1C ZINC001044837490 851166721 /nfs/dbraw/zinc/16/67/21/851166721.db2.gz QQOLTFICEQSNSO-OLZOCXBDSA-N 2 2 294.399 0.314 20 0 CCADLP CCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046218581 851426968 /nfs/dbraw/zinc/42/69/68/851426968.db2.gz LDOSDKBWHCXIEI-UKRRQHHQSA-N 2 2 283.416 0.698 20 0 CCADLP CCCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046218581 851426971 /nfs/dbraw/zinc/42/69/71/851426971.db2.gz LDOSDKBWHCXIEI-UKRRQHHQSA-N 2 2 283.416 0.698 20 0 CCADLP CCCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001046218581 851426975 /nfs/dbraw/zinc/42/69/75/851426975.db2.gz LDOSDKBWHCXIEI-UKRRQHHQSA-N 2 2 283.416 0.698 20 0 CCADLP CCCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001046218581 851426977 /nfs/dbraw/zinc/42/69/77/851426977.db2.gz LDOSDKBWHCXIEI-UKRRQHHQSA-N 2 2 283.416 0.698 20 0 CCADLP CC(C)[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046221148 851429418 /nfs/dbraw/zinc/42/94/18/851429418.db2.gz XLKKHCMUYXAADP-JSGCOSHPSA-N 2 2 269.389 0.306 20 0 CCADLP CC(C)[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046221148 851429421 /nfs/dbraw/zinc/42/94/21/851429421.db2.gz XLKKHCMUYXAADP-JSGCOSHPSA-N 2 2 269.389 0.306 20 0 CCADLP CC(C)[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001046221148 851429422 /nfs/dbraw/zinc/42/94/22/851429422.db2.gz XLKKHCMUYXAADP-JSGCOSHPSA-N 2 2 269.389 0.306 20 0 CCADLP CC(C)[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001046221148 851429425 /nfs/dbraw/zinc/42/94/25/851429425.db2.gz XLKKHCMUYXAADP-JSGCOSHPSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@]1(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC[N@H+](CCO)C1 ZINC001046608950 851564279 /nfs/dbraw/zinc/56/42/79/851564279.db2.gz GYHCDDUNUQDSQX-IAQYHMDHSA-N 2 2 292.383 0.403 20 0 CCADLP C[C@@]1(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC[N@@H+](CCO)C1 ZINC001046608950 851564280 /nfs/dbraw/zinc/56/42/80/851564280.db2.gz GYHCDDUNUQDSQX-IAQYHMDHSA-N 2 2 292.383 0.403 20 0 CCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1C[N@H+](CC2CCC2)C[C@@H]1O ZINC001047545694 851810794 /nfs/dbraw/zinc/81/07/94/851810794.db2.gz VJWZAFZDVRJKNN-KBPBESRZSA-N 2 2 292.383 0.256 20 0 CCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1C[N@@H+](CC2CCC2)C[C@@H]1O ZINC001047545694 851810797 /nfs/dbraw/zinc/81/07/97/851810797.db2.gz VJWZAFZDVRJKNN-KBPBESRZSA-N 2 2 292.383 0.256 20 0 CCADLP CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001048017621 851882335 /nfs/dbraw/zinc/88/23/35/851882335.db2.gz CFYJCUFTALHPJO-WDEREUQCSA-N 2 2 250.346 0.799 20 0 CCADLP CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC001048001377 851882403 /nfs/dbraw/zinc/88/24/03/851882403.db2.gz SEHAPQDODYPOGY-ZIAGYGMSSA-N 2 2 297.443 0.944 20 0 CCADLP CC[N@H+](C)CCC(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096422949 852065950 /nfs/dbraw/zinc/06/59/50/852065950.db2.gz HQDOCNKKZOAWHN-ZDUSSCGKSA-N 2 2 291.399 0.822 20 0 CCADLP CC[N@@H+](C)CCC(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001096422949 852065960 /nfs/dbraw/zinc/06/59/60/852065960.db2.gz HQDOCNKKZOAWHN-ZDUSSCGKSA-N 2 2 291.399 0.822 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2C1 ZINC001049174039 852184787 /nfs/dbraw/zinc/18/47/87/852184787.db2.gz KWFFZOKSJGVFDO-OKILXGFUSA-N 2 2 288.395 0.763 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@@H]2C1 ZINC001049174039 852184796 /nfs/dbraw/zinc/18/47/96/852184796.db2.gz KWFFZOKSJGVFDO-OKILXGFUSA-N 2 2 288.395 0.763 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@H+](CCF)C[C@@H]2C1 ZINC001049247714 852201342 /nfs/dbraw/zinc/20/13/42/852201342.db2.gz FFQNMUUKUIXRDZ-TXEJJXNPSA-N 2 2 266.320 0.243 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@@H+](CCF)C[C@@H]2C1 ZINC001049247714 852201350 /nfs/dbraw/zinc/20/13/50/852201350.db2.gz FFQNMUUKUIXRDZ-TXEJJXNPSA-N 2 2 266.320 0.243 20 0 CCADLP CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049926855 852397856 /nfs/dbraw/zinc/39/78/56/852397856.db2.gz FRZQYQDADKNBSH-QWHCGFSZSA-N 2 2 262.357 0.968 20 0 CCADLP CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049926855 852397862 /nfs/dbraw/zinc/39/78/62/852397862.db2.gz FRZQYQDADKNBSH-QWHCGFSZSA-N 2 2 262.357 0.968 20 0 CCADLP C[NH+](C)CCCN1CC[NH+](Cc2cnc(N)s2)CC1 ZINC001139227069 852529426 /nfs/dbraw/zinc/52/94/26/852529426.db2.gz AKMNLFIPAZHGOV-UHFFFAOYSA-N 2 2 283.445 0.795 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCC[N@@H+](CCCO)CC1 ZINC001052749963 852648273 /nfs/dbraw/zinc/64/82/73/852648273.db2.gz DKIMOFTWRMHIRU-GFCCVEGCSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCC[N@H+](CCCO)CC1 ZINC001052749963 852648278 /nfs/dbraw/zinc/64/82/78/852648278.db2.gz DKIMOFTWRMHIRU-GFCCVEGCSA-N 2 2 280.372 0.305 20 0 CCADLP COCC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052748353 852648930 /nfs/dbraw/zinc/64/89/30/852648930.db2.gz MGYZNVBKVNRRFW-LBPRGKRZSA-N 2 2 280.372 0.569 20 0 CCADLP COCC[N@H+]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052748353 852648934 /nfs/dbraw/zinc/64/89/34/852648934.db2.gz MGYZNVBKVNRRFW-LBPRGKRZSA-N 2 2 280.372 0.569 20 0 CCADLP COC[C@H](C)[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970164 852678320 /nfs/dbraw/zinc/67/83/20/852678320.db2.gz FOWYSILHEJUQJQ-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP COC[C@H](C)[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970164 852678324 /nfs/dbraw/zinc/67/83/24/852678324.db2.gz FOWYSILHEJUQJQ-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)[C@H](C(C)C)[NH+](C)C)CCO2 ZINC001053296655 852723829 /nfs/dbraw/zinc/72/38/29/852723829.db2.gz SGUCGOJPKPBOFS-AWEZNQCLSA-N 2 2 297.443 0.896 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C[C@@H]1CCCCO1 ZINC000384456837 853870111 /nfs/dbraw/zinc/87/01/11/853870111.db2.gz QCEFYKBHJNKCSQ-KBPBESRZSA-N 2 2 256.390 0.944 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCCC1)C[C@@H]1CCCCO1 ZINC000384456837 853870109 /nfs/dbraw/zinc/87/01/09/853870109.db2.gz QCEFYKBHJNKCSQ-KBPBESRZSA-N 2 2 256.390 0.944 20 0 CCADLP [NH3+]CCCCCCC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394384325 854176221 /nfs/dbraw/zinc/17/62/21/854176221.db2.gz IPXVDJADXYPGKS-AWEZNQCLSA-N 2 2 282.432 0.402 20 0 CCADLP [NH3+]CCCCCCC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000394384325 854176224 /nfs/dbraw/zinc/17/62/24/854176224.db2.gz IPXVDJADXYPGKS-AWEZNQCLSA-N 2 2 282.432 0.402 20 0 CCADLP CC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001071992359 854331848 /nfs/dbraw/zinc/33/18/48/854331848.db2.gz KRXDUXWSFZATNR-NEPJUHHUSA-N 2 2 264.373 0.952 20 0 CCADLP CC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001071992359 854331854 /nfs/dbraw/zinc/33/18/54/854331854.db2.gz KRXDUXWSFZATNR-NEPJUHHUSA-N 2 2 264.373 0.952 20 0 CCADLP COC[C@@H](C)[NH+]1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000076618060 854730340 /nfs/dbraw/zinc/73/03/40/854730340.db2.gz AQUVTDZIEYGLFU-CYBMUJFWSA-N 2 2 280.372 0.452 20 0 CCADLP C[C@H]1[C@@H]([NH2+]C[C@H]2CCOC2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001074998580 854804847 /nfs/dbraw/zinc/80/48/47/854804847.db2.gz YSUFYNBEUQZYAJ-XQQFMLRXSA-N 2 2 292.383 0.568 20 0 CCADLP CC[NH2+]C1CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001100551774 855186145 /nfs/dbraw/zinc/18/61/45/855186145.db2.gz SUBXTYNDBXQQCK-UHFFFAOYSA-N 2 2 250.346 0.778 20 0 CCADLP Cc1nc(N2CC[C@H](CNC(=O)CC[NH+](C)C)C2)cc[nH+]1 ZINC001101052791 855258165 /nfs/dbraw/zinc/25/81/65/855258165.db2.gz WIULXMDHAHMAPW-CYBMUJFWSA-N 2 2 291.399 0.679 20 0 CCADLP Cc1nc(NCCN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)cc[nH+]1 ZINC001101962441 855400357 /nfs/dbraw/zinc/40/03/57/855400357.db2.gz JGQPGEBSYQIUTR-GFCCVEGCSA-N 2 2 291.399 0.997 20 0 CCADLP Cc1nc(NCCN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)cc[nH+]1 ZINC001101962441 855400363 /nfs/dbraw/zinc/40/03/63/855400363.db2.gz JGQPGEBSYQIUTR-GFCCVEGCSA-N 2 2 291.399 0.997 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001102205202 855418042 /nfs/dbraw/zinc/41/80/42/855418042.db2.gz QFJOWJMJAVZGIG-HZSPNIEDSA-N 2 2 294.399 0.338 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001102205202 855418048 /nfs/dbraw/zinc/41/80/48/855418048.db2.gz QFJOWJMJAVZGIG-HZSPNIEDSA-N 2 2 294.399 0.338 20 0 CCADLP CO[C@H](C)C[N@H+]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102406417 855433845 /nfs/dbraw/zinc/43/38/45/855433845.db2.gz RSBKDPVVYXNLRI-JHJVBQTASA-N 2 2 294.399 0.671 20 0 CCADLP CO[C@H](C)C[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102406417 855433846 /nfs/dbraw/zinc/43/38/46/855433846.db2.gz RSBKDPVVYXNLRI-JHJVBQTASA-N 2 2 294.399 0.671 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@@H+](CCF)C[C@H]1C ZINC001102531704 855443855 /nfs/dbraw/zinc/44/38/55/855443855.db2.gz ASNLICXKPZLDBZ-ZYHUDNBSSA-N 2 2 282.363 0.914 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@H+](CCF)C[C@H]1C ZINC001102531704 855443858 /nfs/dbraw/zinc/44/38/58/855443858.db2.gz ASNLICXKPZLDBZ-ZYHUDNBSSA-N 2 2 282.363 0.914 20 0 CCADLP CCO[C@@H]1C[N@H+](CC2CCS(=O)(=O)CC2)C[C@H]1C[NH3+] ZINC000692841766 855595389 /nfs/dbraw/zinc/59/53/89/855595389.db2.gz SPKXACQOGOGNQK-CHWSQXEVSA-N 2 2 290.429 0.107 20 0 CCADLP CCO[C@@H]1C[N@@H+](CC2CCS(=O)(=O)CC2)C[C@H]1C[NH3+] ZINC000692841766 855595393 /nfs/dbraw/zinc/59/53/93/855595393.db2.gz SPKXACQOGOGNQK-CHWSQXEVSA-N 2 2 290.429 0.107 20 0 CCADLP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001115315391 855661611 /nfs/dbraw/zinc/66/16/11/855661611.db2.gz AWSMYUJTPKVYGT-YJNKXOJESA-N 2 2 288.395 0.751 20 0 CCADLP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001115315391 855661614 /nfs/dbraw/zinc/66/16/14/855661614.db2.gz AWSMYUJTPKVYGT-YJNKXOJESA-N 2 2 288.395 0.751 20 0 CCADLP O=C(NCC[NH+]1CC=CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001116354121 855751929 /nfs/dbraw/zinc/75/19/29/855751929.db2.gz SYGICDLRANIRAY-GFCCVEGCSA-N 2 2 260.341 0.434 20 0 CCADLP CCC[N@@H+]1CCCC[C@H]1C(=O)NCC(F)(F)C[NH3+] ZINC001118222152 856211462 /nfs/dbraw/zinc/21/14/62/856211462.db2.gz QMLDNKGOTGAHPQ-JTQLQIEISA-N 2 2 263.332 0.961 20 0 CCADLP CCC[N@H+]1CCCC[C@H]1C(=O)NCC(F)(F)C[NH3+] ZINC001118222152 856211470 /nfs/dbraw/zinc/21/14/70/856211470.db2.gz QMLDNKGOTGAHPQ-JTQLQIEISA-N 2 2 263.332 0.961 20 0 CCADLP CC(C)C[NH2+]CC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC001118286719 856243855 /nfs/dbraw/zinc/24/38/55/856243855.db2.gz IUAHOWKCXNLIRK-LBPRGKRZSA-N 2 2 257.378 0.069 20 0 CCADLP CC(C)C[NH2+]CC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC001118286719 856243858 /nfs/dbraw/zinc/24/38/58/856243858.db2.gz IUAHOWKCXNLIRK-LBPRGKRZSA-N 2 2 257.378 0.069 20 0 CCADLP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001118847693 856462815 /nfs/dbraw/zinc/46/28/15/856462815.db2.gz ASWUOWVNCBOVPA-UTUOFQBUSA-N 2 2 262.357 0.689 20 0 CCADLP CCC[C@H](C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)OC ZINC001119303613 856623210 /nfs/dbraw/zinc/62/32/10/856623210.db2.gz FCLRKNKYWZMBIW-OLZOCXBDSA-N 2 2 271.405 0.731 20 0 CCADLP CCC[C@H](C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)OC ZINC001119303613 856623214 /nfs/dbraw/zinc/62/32/14/856623214.db2.gz FCLRKNKYWZMBIW-OLZOCXBDSA-N 2 2 271.405 0.731 20 0 CCADLP CC[C@@H]1CN(C(=O)NCc2c[nH+]cn2C)CC[C@H]1[NH3+] ZINC001119419763 856675793 /nfs/dbraw/zinc/67/57/93/856675793.db2.gz JIUSTAKHKQQWEL-ZYHUDNBSSA-N 2 2 265.361 0.689 20 0 CCADLP [NH3+]Cc1ccccc1CNC(=O)C[C@@H]([NH3+])C(F)F ZINC001120455004 857076237 /nfs/dbraw/zinc/07/62/37/857076237.db2.gz ZLCPQCLRPQBLHC-SNVBAGLBSA-N 2 2 257.284 0.744 20 0 CCADLP [NH3+]Cc1ccccc1CNC(=O)C[C@H]([NH3+])C(F)F ZINC001120455001 857076796 /nfs/dbraw/zinc/07/67/96/857076796.db2.gz ZLCPQCLRPQBLHC-JTQLQIEISA-N 2 2 257.284 0.744 20 0 CCADLP CCOCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001323262501 912231766 /nfs/dbraw/zinc/23/17/66/912231766.db2.gz OOYWKWRAIKOXSR-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP CCOCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001323262501 912231780 /nfs/dbraw/zinc/23/17/80/912231780.db2.gz OOYWKWRAIKOXSR-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP CCOCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001323262501 912231801 /nfs/dbraw/zinc/23/18/01/912231801.db2.gz OOYWKWRAIKOXSR-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP CCOCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001323262501 912231818 /nfs/dbraw/zinc/23/18/18/912231818.db2.gz OOYWKWRAIKOXSR-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP COCC[N@@H+]1CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001323280502 912239029 /nfs/dbraw/zinc/23/90/29/912239029.db2.gz ZJEMGERFIIFBEV-LBPRGKRZSA-N 2 2 266.345 0.110 20 0 CCADLP COCC[N@H+]1CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001323280502 912239045 /nfs/dbraw/zinc/23/90/45/912239045.db2.gz ZJEMGERFIIFBEV-LBPRGKRZSA-N 2 2 266.345 0.110 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NCC1(O)C[NH+](CC[C@H](C)F)C1 ZINC001393355979 912535132 /nfs/dbraw/zinc/53/51/32/912535132.db2.gz CQLDPXKHWZDQGH-LBPRGKRZSA-N 2 2 289.395 0.238 20 0 CCADLP C[C@H](F)CC[N@@H+]1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001393529525 912629339 /nfs/dbraw/zinc/62/93/39/912629339.db2.gz UCNSYDPCWMSQHO-QWHCGFSZSA-N 2 2 289.395 0.503 20 0 CCADLP C[C@H](F)CC[N@H+]1CCOC[C@H]1CNC(=O)CC[NH+](C)C ZINC001393529525 912629349 /nfs/dbraw/zinc/62/93/49/912629349.db2.gz UCNSYDPCWMSQHO-QWHCGFSZSA-N 2 2 289.395 0.503 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@@H+]1CCO ZINC001393788675 912759915 /nfs/dbraw/zinc/75/99/15/912759915.db2.gz UUFUOWHYMDSJGZ-OLZOCXBDSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@H+]1CCO ZINC001393788675 912759934 /nfs/dbraw/zinc/75/99/34/912759934.db2.gz UUFUOWHYMDSJGZ-OLZOCXBDSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@H](NC(=O)c1cc(C[NH+](C)C)on1)[C@H](C)[NH2+]CCF ZINC001393950059 912876378 /nfs/dbraw/zinc/87/63/78/912876378.db2.gz MKOLKCRIARWZPG-UWVGGRQHSA-N 2 2 286.351 0.802 20 0 CCADLP C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]Cc1ccnn1C ZINC001393969978 912891806 /nfs/dbraw/zinc/89/18/06/912891806.db2.gz BNKHAKHBWPEWEN-QWRGUYRKSA-N 2 2 290.371 0.369 20 0 CCADLP CCOCC[N@@H+]1CC[C@](C)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001324667963 912969428 /nfs/dbraw/zinc/96/94/28/912969428.db2.gz BPPYQPYTSLGKET-HNNXBMFYSA-N 2 2 294.399 0.878 20 0 CCADLP CCOCC[N@H+]1CC[C@](C)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001324667963 912969446 /nfs/dbraw/zinc/96/94/46/912969446.db2.gz BPPYQPYTSLGKET-HNNXBMFYSA-N 2 2 294.399 0.878 20 0 CCADLP CCOCCC[N@@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001324680484 912978193 /nfs/dbraw/zinc/97/81/93/912978193.db2.gz LWPXRMWAEVRUBM-OAHLLOKOSA-N 2 2 294.399 0.890 20 0 CCADLP CCOCCC[N@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001324680484 912978207 /nfs/dbraw/zinc/97/82/07/912978207.db2.gz LWPXRMWAEVRUBM-OAHLLOKOSA-N 2 2 294.399 0.890 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[N@H+](C)CCCO ZINC001394079204 912978353 /nfs/dbraw/zinc/97/83/53/912978353.db2.gz MDDBMRGXXQPOAI-OLZOCXBDSA-N 2 2 294.399 0.264 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[N@@H+](C)CCCO ZINC001394079204 912978366 /nfs/dbraw/zinc/97/83/66/912978366.db2.gz MDDBMRGXXQPOAI-OLZOCXBDSA-N 2 2 294.399 0.264 20 0 CCADLP O=C(NC[C@H](CO)[NH2+]CC1CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001394620894 913321730 /nfs/dbraw/zinc/32/17/30/913321730.db2.gz UUJLTLQISBQALX-GFCCVEGCSA-N 2 2 288.351 0.653 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C(C)(C)C ZINC001394818838 913452159 /nfs/dbraw/zinc/45/21/59/913452159.db2.gz BQSNLXAJUXVPNX-AAEUAGOBSA-N 2 2 296.415 0.844 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H](NC(=O)CCc1c[nH+]c[nH]1)C(C)(C)C ZINC001394818838 913452167 /nfs/dbraw/zinc/45/21/67/913452167.db2.gz BQSNLXAJUXVPNX-AAEUAGOBSA-N 2 2 296.415 0.844 20 0 CCADLP Cc1nccnc1C[N@@H+](C)CCNC(=O)CCC[NH+](C)C ZINC001480907795 891740489 /nfs/dbraw/zinc/74/04/89/891740489.db2.gz NNGLRAAESYAYPT-UHFFFAOYSA-N 2 2 293.415 0.675 20 0 CCADLP Cc1nccnc1C[N@H+](C)CCNC(=O)CCC[NH+](C)C ZINC001480907795 891740502 /nfs/dbraw/zinc/74/05/02/891740502.db2.gz NNGLRAAESYAYPT-UHFFFAOYSA-N 2 2 293.415 0.675 20 0 CCADLP CC[N@H+](CCCO)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001480983817 892013025 /nfs/dbraw/zinc/01/30/25/892013025.db2.gz NNLVUJDDSQRKIV-CYBMUJFWSA-N 2 2 294.399 0.266 20 0 CCADLP CC[N@@H+](CCCO)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001480983817 892013045 /nfs/dbraw/zinc/01/30/45/892013045.db2.gz NNLVUJDDSQRKIV-CYBMUJFWSA-N 2 2 294.399 0.266 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[N@H+](CCCF)C1 ZINC001481119052 892190995 /nfs/dbraw/zinc/19/09/95/892190995.db2.gz QCRLAZFILOVWRX-GFCCVEGCSA-N 2 2 282.363 0.760 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[N@@H+](CCCF)C1 ZINC001481119052 892191000 /nfs/dbraw/zinc/19/10/00/892191000.db2.gz QCRLAZFILOVWRX-GFCCVEGCSA-N 2 2 282.363 0.760 20 0 CCADLP CN(CC[NH2+]CC[C@H]1CCOC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001481284835 892520562 /nfs/dbraw/zinc/52/05/62/892520562.db2.gz IXAXJMQGUUJGPE-LBPRGKRZSA-N 2 2 280.372 0.427 20 0 CCADLP C[C@H](O)CCC[NH+]1CC(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001481583185 892864699 /nfs/dbraw/zinc/86/46/99/892864699.db2.gz YLNMJVYIAFJKLN-STQMWFEESA-N 2 2 283.416 0.290 20 0 CCADLP C[C@H](O)CCC[NH+]1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001481583185 892864717 /nfs/dbraw/zinc/86/47/17/892864717.db2.gz YLNMJVYIAFJKLN-STQMWFEESA-N 2 2 283.416 0.290 20 0 CCADLP COC[C@@H](C)[NH+]1CC(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001481635912 892942175 /nfs/dbraw/zinc/94/21/75/892942175.db2.gz MOZXBJOXJNDMNZ-GFCCVEGCSA-N 2 2 294.399 0.436 20 0 CCADLP C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)[C@@H]1C[NH2+]CCO ZINC001496476899 893090206 /nfs/dbraw/zinc/09/02/06/893090206.db2.gz DDWZKIIFLGHAOT-ZIAGYGMSSA-N 2 2 294.399 0.482 20 0 CCADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1C)[NH2+]Cc1cnon1 ZINC001481879309 893242225 /nfs/dbraw/zinc/24/22/25/893242225.db2.gz PSJKVCQEHVOBMV-LLVKDONJSA-N 2 2 292.343 0.259 20 0 CCADLP COC[C@@H](C)[NH2+]CC1(NC(=O)Cn2cc[nH+]c2)CCCC1 ZINC001481912508 893257535 /nfs/dbraw/zinc/25/75/35/893257535.db2.gz CMTDFHLBLNMNPO-CYBMUJFWSA-N 2 2 294.399 0.937 20 0 CCADLP Cc1ncoc1C[NH2+]C[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001482155266 893442748 /nfs/dbraw/zinc/44/27/48/893442748.db2.gz WXPZQJKUVLRFPZ-JTQLQIEISA-N 2 2 291.355 0.791 20 0 CCADLP CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001284446571 893561082 /nfs/dbraw/zinc/56/10/82/893561082.db2.gz KVDNOKSIVCDTLS-AAEUAGOBSA-N 2 2 282.388 0.407 20 0 CCADLP CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001284446571 893561098 /nfs/dbraw/zinc/56/10/98/893561098.db2.gz KVDNOKSIVCDTLS-AAEUAGOBSA-N 2 2 282.388 0.407 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[N@H+](C)CC1(C)C ZINC001362586107 893601190 /nfs/dbraw/zinc/60/11/90/893601190.db2.gz FGTMOTXKGKKROM-ZDUSSCGKSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[N@@H+](C)CC1(C)C ZINC001362586107 893601197 /nfs/dbraw/zinc/60/11/97/893601197.db2.gz FGTMOTXKGKKROM-ZDUSSCGKSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@@H](C[NH2+]C[C@H]1CCOC1)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001482291834 893787777 /nfs/dbraw/zinc/78/77/77/893787777.db2.gz IDTCALCIXLRNQI-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H](C[NH2+]C[C@H]1CCOC1)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001482291834 893787789 /nfs/dbraw/zinc/78/77/89/893787789.db2.gz IDTCALCIXLRNQI-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H](C[NH2+]Cc1cncn1C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001482336035 893883014 /nfs/dbraw/zinc/88/30/14/893883014.db2.gz SGJFAQYUJHNAFJ-NSHDSACASA-N 2 2 290.371 0.322 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC([NH2+]C2COC2)C1 ZINC001364364004 894014126 /nfs/dbraw/zinc/01/41/26/894014126.db2.gz JASBPAPZNZONOZ-CQSZACIVSA-N 2 2 281.400 0.306 20 0 CCADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC([NH2+]C2COC2)C1 ZINC001364364004 894014149 /nfs/dbraw/zinc/01/41/49/894014149.db2.gz JASBPAPZNZONOZ-CQSZACIVSA-N 2 2 281.400 0.306 20 0 CCADLP COCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001482486000 894126256 /nfs/dbraw/zinc/12/62/56/894126256.db2.gz YUSOLMBKPWSHRE-KGLIPLIRSA-N 2 2 294.399 0.746 20 0 CCADLP CCN(CC[NH2+]C[C@H](C)OC)C(=O)Cc1c[nH+]c[nH]1 ZINC001482952107 894720766 /nfs/dbraw/zinc/72/07/66/894720766.db2.gz BBHLERZCLRNJIP-NSHDSACASA-N 2 2 268.361 0.425 20 0 CCADLP CC[NH+](CC)C[C@@H](F)C(=O)NC1(CCO)C[NH+](CC)C1 ZINC001409699434 895336115 /nfs/dbraw/zinc/33/61/15/895336115.db2.gz FCMGEGVLGDXJSV-GFCCVEGCSA-N 2 2 289.395 0.239 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH2+]Cc1nncs1 ZINC001483249204 895378286 /nfs/dbraw/zinc/37/82/86/895378286.db2.gz TWPMKSRDGQPUFR-VIFPVBQESA-N 2 2 294.384 0.338 20 0 CCADLP C[NH+](C)CCCC(=O)NCC1([NH2+]Cc2ccon2)CC1 ZINC001483761861 896022336 /nfs/dbraw/zinc/02/23/36/896022336.db2.gz BFHDLBOVIABEBW-UHFFFAOYSA-N 2 2 280.372 0.755 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+]CC[C@@H]2CCOC2)CC1 ZINC001483778614 896048010 /nfs/dbraw/zinc/04/80/10/896048010.db2.gz HWDINGPFVVJXOF-GFCCVEGCSA-N 2 2 292.383 0.617 20 0 CCADLP CCOCC[NH+]1CCC(C)(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001483972682 896138206 /nfs/dbraw/zinc/13/82/06/896138206.db2.gz WSHBAJSWQCFRFH-UHFFFAOYSA-N 2 2 294.399 0.959 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@](C)(C[NH2+]CCF)C1 ZINC001484121612 896202214 /nfs/dbraw/zinc/20/22/14/896202214.db2.gz FXQRASNRLRGAEC-CQSZACIVSA-N 2 2 282.363 0.760 20 0 CCADLP CCC[N@@H+]1CCC[C@](CO)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001484436214 896406279 /nfs/dbraw/zinc/40/62/79/896406279.db2.gz CXDKLZDOUDVCRI-HNNXBMFYSA-N 2 2 294.399 0.695 20 0 CCADLP CCC[N@H+]1CCC[C@](CO)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001484436214 896406282 /nfs/dbraw/zinc/40/62/82/896406282.db2.gz CXDKLZDOUDVCRI-HNNXBMFYSA-N 2 2 294.399 0.695 20 0 CCADLP CCC[N@@H+]1CCC[C@](CO)(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001484436214 896406289 /nfs/dbraw/zinc/40/62/89/896406289.db2.gz CXDKLZDOUDVCRI-HNNXBMFYSA-N 2 2 294.399 0.695 20 0 CCADLP CCC[N@H+]1CCC[C@](CO)(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001484436214 896406296 /nfs/dbraw/zinc/40/62/96/896406296.db2.gz CXDKLZDOUDVCRI-HNNXBMFYSA-N 2 2 294.399 0.695 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)CC[NH+](C)C)CCO2 ZINC001484777230 896597838 /nfs/dbraw/zinc/59/78/38/896597838.db2.gz JNXIYGDWDMJLPM-UHFFFAOYSA-N 2 2 269.389 0.261 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C[N@H+](C)CCO ZINC001485071499 896757710 /nfs/dbraw/zinc/75/77/10/896757710.db2.gz QRVLMPUUUZYQEI-OCCSQVGLSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C[N@@H+](C)CCO ZINC001485071499 896757713 /nfs/dbraw/zinc/75/77/13/896757713.db2.gz QRVLMPUUUZYQEI-OCCSQVGLSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C[N@H+](C)CCO ZINC001485071499 896757719 /nfs/dbraw/zinc/75/77/19/896757719.db2.gz QRVLMPUUUZYQEI-OCCSQVGLSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C[N@@H+](C)CCO ZINC001485071499 896757721 /nfs/dbraw/zinc/75/77/21/896757721.db2.gz QRVLMPUUUZYQEI-OCCSQVGLSA-N 2 2 294.399 0.503 20 0 CCADLP Cc1noc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)n1 ZINC001485228291 896877188 /nfs/dbraw/zinc/87/71/88/896877188.db2.gz CTOCRUVPDSHRTG-GHMZBOCLSA-N 2 2 297.403 0.701 20 0 CCADLP Cc1noc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)C(C)C)n1 ZINC001485228291 896877198 /nfs/dbraw/zinc/87/71/98/896877198.db2.gz CTOCRUVPDSHRTG-GHMZBOCLSA-N 2 2 297.403 0.701 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1[C@H]2C[N@H+](CCCF)C[C@H]21 ZINC001485628281 897158086 /nfs/dbraw/zinc/15/80/86/897158086.db2.gz KBUCKSZDUPOYLM-XYYAHUGASA-N 2 2 280.347 0.537 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1[C@H]2C[N@@H+](CCCF)C[C@H]21 ZINC001485628281 897158098 /nfs/dbraw/zinc/15/80/98/897158098.db2.gz KBUCKSZDUPOYLM-XYYAHUGASA-N 2 2 280.347 0.537 20 0 CCADLP CC1(C)C[C@@]1(C)NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336944291 921119488 /nfs/dbraw/zinc/11/94/88/921119488.db2.gz WQYLQHATZLFNIW-CQSZACIVSA-N 2 2 268.405 0.897 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCc1[nH+]ccn1C ZINC000094647979 897848715 /nfs/dbraw/zinc/84/87/15/897848715.db2.gz AYFQVXXEMQAOBW-QWRGUYRKSA-N 2 2 250.346 0.467 20 0 CCADLP CC[C@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1)OC ZINC001032652137 897902820 /nfs/dbraw/zinc/90/28/20/897902820.db2.gz LPIUXZXIUAWANS-MELADBBJSA-N 2 2 292.383 0.662 20 0 CCADLP CC[C@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1)OC ZINC001032652137 897902830 /nfs/dbraw/zinc/90/28/30/897902830.db2.gz LPIUXZXIUAWANS-MELADBBJSA-N 2 2 292.383 0.662 20 0 CCADLP CC(C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]cn1C ZINC001032733422 898029268 /nfs/dbraw/zinc/02/92/68/898029268.db2.gz VJMPSJNRMFXIEZ-STQMWFEESA-N 2 2 262.357 0.656 20 0 CCADLP CC(C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]cn1C ZINC001032733422 898029280 /nfs/dbraw/zinc/02/92/80/898029280.db2.gz VJMPSJNRMFXIEZ-STQMWFEESA-N 2 2 262.357 0.656 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH+]cn1C ZINC001032759193 898119328 /nfs/dbraw/zinc/11/93/28/898119328.db2.gz BLPQASOUICSJIZ-XBFCOCLRSA-N 2 2 292.383 0.019 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH+]cn1C ZINC001032759193 898119331 /nfs/dbraw/zinc/11/93/31/898119331.db2.gz BLPQASOUICSJIZ-XBFCOCLRSA-N 2 2 292.383 0.019 20 0 CCADLP CC(C)[NH2+]C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CCCO1 ZINC001078391869 898366989 /nfs/dbraw/zinc/36/69/89/898366989.db2.gz SVHSMUQBRYMTNN-ZDUSSCGKSA-N 2 2 294.399 0.958 20 0 CCADLP CC[NH2+]C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)CCCO1 ZINC001078434285 898378537 /nfs/dbraw/zinc/37/85/37/898378537.db2.gz BYVKYDOTXAPQNK-ZDUSSCGKSA-N 2 2 294.399 0.580 20 0 CCADLP CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCCO1 ZINC001078479282 898386998 /nfs/dbraw/zinc/38/69/98/898386998.db2.gz VZOUXBFOAWLLMK-LBPRGKRZSA-N 2 2 266.345 0.179 20 0 CCADLP C[C@@H](CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CCF ZINC001485892500 898489917 /nfs/dbraw/zinc/48/99/17/898489917.db2.gz FQEHHENUZBUPAS-NWDGAFQWSA-N 2 2 282.363 0.852 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1([NH2+]CCCO)CCC1 ZINC001326899331 914259328 /nfs/dbraw/zinc/25/93/28/914259328.db2.gz MQPYINSAWWIITD-GFCCVEGCSA-N 2 2 294.399 0.599 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1([NH2+]CCCO)CCC1 ZINC001326899331 914259344 /nfs/dbraw/zinc/25/93/44/914259344.db2.gz MQPYINSAWWIITD-GFCCVEGCSA-N 2 2 294.399 0.599 20 0 CCADLP CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001486349691 898826281 /nfs/dbraw/zinc/82/62/81/898826281.db2.gz DTNUPGHNLYMQDA-JSGCOSHPSA-N 2 2 296.415 0.749 20 0 CCADLP CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001486349691 898826298 /nfs/dbraw/zinc/82/62/98/898826298.db2.gz DTNUPGHNLYMQDA-JSGCOSHPSA-N 2 2 296.415 0.749 20 0 CCADLP CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001486349691 898826312 /nfs/dbraw/zinc/82/63/12/898826312.db2.gz DTNUPGHNLYMQDA-JSGCOSHPSA-N 2 2 296.415 0.749 20 0 CCADLP CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001486349691 898826326 /nfs/dbraw/zinc/82/63/26/898826326.db2.gz DTNUPGHNLYMQDA-JSGCOSHPSA-N 2 2 296.415 0.749 20 0 CCADLP CCn1nc(C)c(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)n1 ZINC001364868422 899402641 /nfs/dbraw/zinc/40/26/41/899402641.db2.gz LDNMECOSBSAHOR-LBPRGKRZSA-N 2 2 280.420 0.332 20 0 CCADLP CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001411184678 899720128 /nfs/dbraw/zinc/72/01/28/899720128.db2.gz NZWBYNYNPQHOCL-GFCCVEGCSA-N 2 2 282.388 0.422 20 0 CCADLP CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001411184678 899720138 /nfs/dbraw/zinc/72/01/38/899720138.db2.gz NZWBYNYNPQHOCL-GFCCVEGCSA-N 2 2 282.388 0.422 20 0 CCADLP C[C@H](CCCC[NH2+]CCO)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001175643743 899967903 /nfs/dbraw/zinc/96/79/03/899967903.db2.gz GDVHZBYMSWEHLU-QWHCGFSZSA-N 2 2 296.415 0.845 20 0 CCADLP C[C@H](CCCC[NH2+]CCO)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001175643743 899967910 /nfs/dbraw/zinc/96/79/10/899967910.db2.gz GDVHZBYMSWEHLU-QWHCGFSZSA-N 2 2 296.415 0.845 20 0 CCADLP COCC[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001488777532 900375319 /nfs/dbraw/zinc/37/53/19/900375319.db2.gz VTLJXOOWBKGMIE-MCIONIFRSA-N 2 2 294.399 0.965 20 0 CCADLP O[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Cn1ccnn1 ZINC001308430078 901085890 /nfs/dbraw/zinc/08/58/90/901085890.db2.gz ACUSSSYMSSQAKE-OAHLLOKOSA-N 2 2 298.350 0.615 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC1C[NH+](CCC[C@@H]2CCOC2)C1 ZINC001443563929 901115586 /nfs/dbraw/zinc/11/55/86/901115586.db2.gz SZWHWKQAMBKUSV-CQSZACIVSA-N 2 2 297.443 0.944 20 0 CCADLP NC(=O)NC(=O)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001413051330 902588676 /nfs/dbraw/zinc/58/86/76/902588676.db2.gz VFJJLOJOCUVKGI-LBPRGKRZSA-N 2 2 287.323 0.409 20 0 CCADLP CCn1nncc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001413132636 902729523 /nfs/dbraw/zinc/72/95/23/902729523.db2.gz LEAGXQGZBIBQSL-GJZGRUSLSA-N 2 2 293.415 0.765 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]C[C@@]2(CO)COC[C@@H]3CCCN32)CC[N@@H+]1C ZINC001413276677 902839521 /nfs/dbraw/zinc/83/95/21/902839521.db2.gz MNFCNMAEWZIGFC-YHUYYLMFSA-N 2 2 297.443 0.284 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]C[C@@]2(CO)COC[C@@H]3CCCN32)CC[N@H+]1C ZINC001413276677 902839528 /nfs/dbraw/zinc/83/95/28/902839528.db2.gz MNFCNMAEWZIGFC-YHUYYLMFSA-N 2 2 297.443 0.284 20 0 CCADLP C[C@H]1C[C@@H](NC[C@@]2(CO)COC[C@@H]3CCC[NH+]32)CC[N@@H+]1C ZINC001413276677 902839538 /nfs/dbraw/zinc/83/95/38/902839538.db2.gz MNFCNMAEWZIGFC-YHUYYLMFSA-N 2 2 297.443 0.284 20 0 CCADLP C[C@H]1C[C@@H](NC[C@@]2(CO)COC[C@@H]3CCC[NH+]32)CC[N@H+]1C ZINC001413276677 902839551 /nfs/dbraw/zinc/83/95/51/902839551.db2.gz MNFCNMAEWZIGFC-YHUYYLMFSA-N 2 2 297.443 0.284 20 0 CCADLP C[C@H]1C[C@@H](NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)CC[NH+]1C ZINC001413276677 902839559 /nfs/dbraw/zinc/83/95/59/902839559.db2.gz MNFCNMAEWZIGFC-YHUYYLMFSA-N 2 2 297.443 0.284 20 0 CCADLP C[C@H]1C[C@@H](NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)CC[NH+]1C ZINC001413276677 902839568 /nfs/dbraw/zinc/83/95/68/902839568.db2.gz MNFCNMAEWZIGFC-YHUYYLMFSA-N 2 2 297.443 0.284 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1cnsn1 ZINC001495812667 903066387 /nfs/dbraw/zinc/06/63/87/903066387.db2.gz IDTICZMJHUSFCS-JTQLQIEISA-N 2 2 294.384 0.277 20 0 CCADLP COCC[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001491178590 903422998 /nfs/dbraw/zinc/42/29/98/903422998.db2.gz FHRCGABETUXVDV-ZDUSSCGKSA-N 2 2 294.399 0.437 20 0 CCADLP COCCCC[NH+]1CC([C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001276467670 903787271 /nfs/dbraw/zinc/78/72/71/903787271.db2.gz CLEWJOLPNDKRFC-ZDUSSCGKSA-N 2 2 294.399 0.746 20 0 CCADLP CNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001377227666 904703061 /nfs/dbraw/zinc/70/30/61/904703061.db2.gz KIACZYIUHSLJEQ-CYBMUJFWSA-N 2 2 298.431 0.043 20 0 CCADLP CNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001377227666 904703066 /nfs/dbraw/zinc/70/30/66/904703066.db2.gz KIACZYIUHSLJEQ-CYBMUJFWSA-N 2 2 298.431 0.043 20 0 CCADLP CNC(=O)C[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001377227666 904703073 /nfs/dbraw/zinc/70/30/73/904703073.db2.gz KIACZYIUHSLJEQ-CYBMUJFWSA-N 2 2 298.431 0.043 20 0 CCADLP CNC(=O)C[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001377227666 904703076 /nfs/dbraw/zinc/70/30/76/904703076.db2.gz KIACZYIUHSLJEQ-CYBMUJFWSA-N 2 2 298.431 0.043 20 0 CCADLP Cc1oncc1C[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001377259606 904732835 /nfs/dbraw/zinc/73/28/35/904732835.db2.gz DNALAYGFCVCTEG-UHFFFAOYSA-N 2 2 280.372 0.627 20 0 CCADLP Cc1oncc1C[N@@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001377259606 904732842 /nfs/dbraw/zinc/73/28/42/904732842.db2.gz DNALAYGFCVCTEG-UHFFFAOYSA-N 2 2 280.372 0.627 20 0 CCADLP C[C@H](CCC[NH2+]CCO)NC(=O)c1cccc2[nH+]ccn21 ZINC001283203506 904755365 /nfs/dbraw/zinc/75/53/65/904755365.db2.gz DHDKWUQDHRCJPR-GFCCVEGCSA-N 2 2 290.367 0.815 20 0 CCADLP C[C@@H](O)C[NH2+]C1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001377304818 904776121 /nfs/dbraw/zinc/77/61/21/904776121.db2.gz NCVCDSURGVSNHD-LLVKDONJSA-N 2 2 280.372 0.304 20 0 CCADLP CC[N@H+](CCCO)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001377321802 904785614 /nfs/dbraw/zinc/78/56/14/904785614.db2.gz BDDIMOLBNOPSDN-UHFFFAOYSA-N 2 2 290.367 0.768 20 0 CCADLP CC[N@@H+](CCCO)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001377321802 904785627 /nfs/dbraw/zinc/78/56/27/904785627.db2.gz BDDIMOLBNOPSDN-UHFFFAOYSA-N 2 2 290.367 0.768 20 0 CCADLP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCC[N@H+](CCO)C1 ZINC001398792443 914846377 /nfs/dbraw/zinc/84/63/77/914846377.db2.gz MKAWFJZWLMKARY-NWDGAFQWSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCC[N@@H+](CCO)C1 ZINC001398792443 914846399 /nfs/dbraw/zinc/84/63/99/914846399.db2.gz MKAWFJZWLMKARY-NWDGAFQWSA-N 2 2 280.372 0.161 20 0 CCADLP CO[C@@H](C)C[NH2+]CC1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001377726095 905117966 /nfs/dbraw/zinc/11/79/66/905117966.db2.gz HXQWPLJUTARRJC-UNXYVOJBSA-N 2 2 280.372 0.472 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1C[NH+](CCCF)C1 ZINC001377998965 905313009 /nfs/dbraw/zinc/31/30/09/905313009.db2.gz YLMRFHSGZIYTOL-NSHDSACASA-N 2 2 282.363 0.996 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1C[NH+](CCCF)C1 ZINC001377998965 905313022 /nfs/dbraw/zinc/31/30/22/905313022.db2.gz YLMRFHSGZIYTOL-NSHDSACASA-N 2 2 282.363 0.996 20 0 CCADLP CN(C[C@H](O)C[NH2+]C/C=C\Cl)C(=O)Cn1cc[nH+]c1 ZINC001284479295 905315903 /nfs/dbraw/zinc/31/59/03/905315903.db2.gz XRIMHLYQVUYFKC-OTDNITJGSA-N 2 2 286.763 0.045 20 0 CCADLP CN(C[C@H](O)C[NH2+]C/C=C/Cl)C(=O)Cn1cc[nH+]c1 ZINC001284479293 905316728 /nfs/dbraw/zinc/31/67/28/905316728.db2.gz XRIMHLYQVUYFKC-KXMPLOMGSA-N 2 2 286.763 0.045 20 0 CCADLP CC(C)(C)[C@@H](C[NH2+]CCCO)NC(=O)CCc1c[nH]c[nH+]1 ZINC001284599051 905391538 /nfs/dbraw/zinc/39/15/38/905391538.db2.gz RRGAWEDZTZGLMQ-CYBMUJFWSA-N 2 2 296.415 0.845 20 0 CCADLP CC(C)(C)[C@@H](C[NH2+]CCCO)NC(=O)CCc1c[nH+]c[nH]1 ZINC001284599051 905391556 /nfs/dbraw/zinc/39/15/56/905391556.db2.gz RRGAWEDZTZGLMQ-CYBMUJFWSA-N 2 2 296.415 0.845 20 0 CCADLP CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001378082864 905409996 /nfs/dbraw/zinc/40/99/96/905409996.db2.gz ZNYFSCLSJSYBGR-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001378082864 905410012 /nfs/dbraw/zinc/41/00/12/905410012.db2.gz ZNYFSCLSJSYBGR-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH+](C)Cc1cnnn1C ZINC001378170367 905472520 /nfs/dbraw/zinc/47/25/20/905472520.db2.gz IBBIIZHHXJAATE-LBPRGKRZSA-N 2 2 296.419 0.093 20 0 CCADLP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH+](C)Cc1cnnn1C ZINC001378170367 905472531 /nfs/dbraw/zinc/47/25/31/905472531.db2.gz IBBIIZHHXJAATE-LBPRGKRZSA-N 2 2 296.419 0.093 20 0 CCADLP CC[NH+](C)CCC(=O)NC[C@H](C)[N@H+](C)Cc1cnnn1C ZINC001378170367 905472539 /nfs/dbraw/zinc/47/25/39/905472539.db2.gz IBBIIZHHXJAATE-LBPRGKRZSA-N 2 2 296.419 0.093 20 0 CCADLP CC[NH+](C)CCC(=O)NC[C@H](C)[N@@H+](C)Cc1cnnn1C ZINC001378170367 905472548 /nfs/dbraw/zinc/47/25/48/905472548.db2.gz IBBIIZHHXJAATE-LBPRGKRZSA-N 2 2 296.419 0.093 20 0 CCADLP CC[C@H](C)C[NH+]1CC(CCO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001378356031 905609306 /nfs/dbraw/zinc/60/93/06/905609306.db2.gz NMDWMRVNRISWLK-AWEZNQCLSA-N 2 2 297.443 0.681 20 0 CCADLP CO[C@@H](C)C[NH+]1CC([C@@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001378534341 905667272 /nfs/dbraw/zinc/66/72/72/905667272.db2.gz PDYKFGWCZAIWBU-QWHCGFSZSA-N 2 2 294.399 0.745 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NC[C@H](C)C[NH2+]C[C@@H](C)O ZINC001378579577 905696561 /nfs/dbraw/zinc/69/65/61/905696561.db2.gz MLWGYRKAXNVEOO-VXGBXAGGSA-N 2 2 295.383 0.355 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[N@H+](C(C)C)CCO1 ZINC001378674680 905754313 /nfs/dbraw/zinc/75/43/13/905754313.db2.gz XWSPATIFGWPFGI-ZDUSSCGKSA-N 2 2 280.372 0.417 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001378674680 905754332 /nfs/dbraw/zinc/75/43/32/905754332.db2.gz XWSPATIFGWPFGI-ZDUSSCGKSA-N 2 2 280.372 0.417 20 0 CCADLP COCCC[NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001316641089 905759303 /nfs/dbraw/zinc/75/93/03/905759303.db2.gz HNALOCZWGRFXHR-JOCQHMNTSA-N 2 2 280.372 0.404 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)CCn1cc[nH+]c1 ZINC001378808950 905829890 /nfs/dbraw/zinc/82/98/90/905829890.db2.gz XINOXRLHLIXOPL-OLZOCXBDSA-N 2 2 282.388 0.745 20 0 CCADLP C[C@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+]C[C@@H]1CCOC1 ZINC001379279047 906110810 /nfs/dbraw/zinc/11/08/10/906110810.db2.gz SFYOZNIVRXVDIO-OLZOCXBDSA-N 2 2 294.399 0.436 20 0 CCADLP C[C@@H](C[NH2+]Cc1csnn1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001379519774 906321451 /nfs/dbraw/zinc/32/14/51/906321451.db2.gz ZGWMFHCGNPWZDA-CMPLNLGQSA-N 2 2 297.428 0.617 20 0 CCADLP C[C@@H](C[NH2+]Cc1csnn1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001379519774 906321473 /nfs/dbraw/zinc/32/14/73/906321473.db2.gz ZGWMFHCGNPWZDA-CMPLNLGQSA-N 2 2 297.428 0.617 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CC[N@@H+]1C[C@@H]1CCOC1 ZINC001379974206 906568120 /nfs/dbraw/zinc/56/81/20/906568120.db2.gz MQEWTLNAFOCEPM-JSGCOSHPSA-N 2 2 292.383 0.569 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CC[N@H+]1C[C@@H]1CCOC1 ZINC001379974206 906568126 /nfs/dbraw/zinc/56/81/26/906568126.db2.gz MQEWTLNAFOCEPM-JSGCOSHPSA-N 2 2 292.383 0.569 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CC[N@@H+]1C[C@@H]1CCOC1 ZINC001379974206 906568137 /nfs/dbraw/zinc/56/81/37/906568137.db2.gz MQEWTLNAFOCEPM-JSGCOSHPSA-N 2 2 292.383 0.569 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CC[N@H+]1C[C@@H]1CCOC1 ZINC001379974206 906568142 /nfs/dbraw/zinc/56/81/42/906568142.db2.gz MQEWTLNAFOCEPM-JSGCOSHPSA-N 2 2 292.383 0.569 20 0 CCADLP Cc1nc(C[NH2+]C2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)co1 ZINC001380168048 906664902 /nfs/dbraw/zinc/66/49/02/906664902.db2.gz FPNNGNWQSBBQRV-LBPRGKRZSA-N 2 2 292.383 0.673 20 0 CCADLP Cc1nc(C[NH2+]C2(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)co1 ZINC001380168048 906664907 /nfs/dbraw/zinc/66/49/07/906664907.db2.gz FPNNGNWQSBBQRV-LBPRGKRZSA-N 2 2 292.383 0.673 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)Cc1ccn(C)n1 ZINC001381568797 907302122 /nfs/dbraw/zinc/30/21/22/907302122.db2.gz WWHQHTBNCADYSF-TZMCWYRMSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)Cc1ccn(C)n1 ZINC001381568797 907302144 /nfs/dbraw/zinc/30/21/44/907302144.db2.gz WWHQHTBNCADYSF-TZMCWYRMSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@H+](C)Cc1ccn(C)n1 ZINC001381568797 907302162 /nfs/dbraw/zinc/30/21/62/907302162.db2.gz WWHQHTBNCADYSF-TZMCWYRMSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@@H+](C)Cc1ccn(C)n1 ZINC001381568797 907302180 /nfs/dbraw/zinc/30/21/80/907302180.db2.gz WWHQHTBNCADYSF-TZMCWYRMSA-N 2 2 293.415 0.451 20 0 CCADLP CO[C@@H](C)C[N@H+](C)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001381626838 907338897 /nfs/dbraw/zinc/33/88/97/907338897.db2.gz PMXJFPYHUOWHJC-MNOVXSKESA-N 2 2 282.388 0.732 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001381626838 907338918 /nfs/dbraw/zinc/33/89/18/907338918.db2.gz PMXJFPYHUOWHJC-MNOVXSKESA-N 2 2 282.388 0.732 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001381964880 907474102 /nfs/dbraw/zinc/47/41/02/907474102.db2.gz AZRNNDYNNWSGNR-AVGNSLFASA-N 2 2 294.399 0.218 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CCC[N@@H+]2C)[nH]1 ZINC001382126235 907560746 /nfs/dbraw/zinc/56/07/46/907560746.db2.gz VDTANJFVFWLEBQ-ZYHUDNBSSA-N 2 2 294.403 0.144 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CCC[N@H+]2C)[nH]1 ZINC001382126235 907560763 /nfs/dbraw/zinc/56/07/63/907560763.db2.gz VDTANJFVFWLEBQ-ZYHUDNBSSA-N 2 2 294.403 0.144 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001382150929 907574592 /nfs/dbraw/zinc/57/45/92/907574592.db2.gz NPTWVLOQWCEDKY-QWHCGFSZSA-N 2 2 296.415 0.824 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001491858944 907609670 /nfs/dbraw/zinc/60/96/70/907609670.db2.gz NBAFXBFFGOOQSC-ZIAGYGMSSA-N 2 2 294.399 0.482 20 0 CCADLP CC(C)CC[NH2+][C@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001382268422 907649157 /nfs/dbraw/zinc/64/91/57/907649157.db2.gz WJWQYZJEQTVMAW-LBPRGKRZSA-N 2 2 282.388 0.075 20 0 CCADLP CC[C@H]([NH2+][C@H](C)CCNC(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC001492114187 907707561 /nfs/dbraw/zinc/70/75/61/907707561.db2.gz DBSYLZPNKJCJQE-KOLCDFICSA-N 2 2 295.387 0.009 20 0 CCADLP CCCCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001492215147 907767196 /nfs/dbraw/zinc/76/71/96/907767196.db2.gz NDIYMQUIIKUPJA-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CCCCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001492215147 907767208 /nfs/dbraw/zinc/76/72/08/907767208.db2.gz NDIYMQUIIKUPJA-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CCCCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001492215147 907767214 /nfs/dbraw/zinc/76/72/14/907767214.db2.gz NDIYMQUIIKUPJA-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CCCCNC(=O)C[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001492215147 907767227 /nfs/dbraw/zinc/76/72/27/907767227.db2.gz NDIYMQUIIKUPJA-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)C[C@H]1CC[NH2+]C1 ZINC001341126334 908572201 /nfs/dbraw/zinc/57/22/01/908572201.db2.gz HZAYFUDZNMRSGS-CHWSQXEVSA-N 2 2 269.389 0.213 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@H]1CC[NH2+]C1 ZINC001341126341 908574297 /nfs/dbraw/zinc/57/42/97/908574297.db2.gz HZAYFUDZNMRSGS-OLZOCXBDSA-N 2 2 269.389 0.213 20 0 CCADLP CC(C)[N@H+](C)CCOCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001316766415 908694491 /nfs/dbraw/zinc/69/44/91/908694491.db2.gz XLBZSOBYVOEKMB-UHFFFAOYSA-N 2 2 282.388 0.767 20 0 CCADLP CC(C)[N@@H+](C)CCOCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001316766415 908694496 /nfs/dbraw/zinc/69/44/96/908694496.db2.gz XLBZSOBYVOEKMB-UHFFFAOYSA-N 2 2 282.388 0.767 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]([NH2+]CCF)C1CC1 ZINC001317029772 908930677 /nfs/dbraw/zinc/93/06/77/908930677.db2.gz WXCLXJGOLDXQBG-GFCCVEGCSA-N 2 2 268.336 0.715 20 0 CCADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]CC1CC1 ZINC001317247309 909086687 /nfs/dbraw/zinc/08/66/87/909086687.db2.gz SUEXNFQYVJEJGF-SNVBAGLBSA-N 2 2 250.346 0.847 20 0 CCADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]CC1CC1 ZINC001317247309 909086701 /nfs/dbraw/zinc/08/67/01/909086701.db2.gz SUEXNFQYVJEJGF-SNVBAGLBSA-N 2 2 250.346 0.847 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001317302481 909127448 /nfs/dbraw/zinc/12/74/48/909127448.db2.gz GTSFFRNYNKWMHO-LBPRGKRZSA-N 2 2 288.351 0.785 20 0 CCADLP CC[C@H](C(=O)N(C)CC[NH2+]Cc1ncc(C)cn1)[NH+](C)C ZINC001317652503 909447113 /nfs/dbraw/zinc/44/71/13/909447113.db2.gz ARDYEQHVXCSKHW-CYBMUJFWSA-N 2 2 293.415 0.673 20 0 CCADLP COCC[NH+]1CC(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001318089942 909615915 /nfs/dbraw/zinc/61/59/15/909615915.db2.gz YJGYETDGACSALE-UHFFFAOYSA-N 2 2 269.389 0.309 20 0 CCADLP CN1CC[NH+](CCCCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001318304400 909697541 /nfs/dbraw/zinc/69/75/41/909697541.db2.gz AVEPJQDNRAQEMD-UHFFFAOYSA-N 2 2 293.415 0.417 20 0 CCADLP CO[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001389376547 909859162 /nfs/dbraw/zinc/85/91/62/909859162.db2.gz OYLCYXMLEDUJCJ-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP CO[C@H](C)C[N@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001389376547 909859174 /nfs/dbraw/zinc/85/91/74/909859174.db2.gz OYLCYXMLEDUJCJ-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@@H](C(=O)NCC[N@@H+]1CC[C@H](C)C1)n1cc[nH+]c1 ZINC001318882917 909912531 /nfs/dbraw/zinc/91/25/31/909912531.db2.gz ZRKFIKXALBPADY-RYUDHWBXSA-N 2 2 250.346 0.902 20 0 CCADLP C[C@@H](C(=O)NCC[N@H+]1CC[C@H](C)C1)n1cc[nH+]c1 ZINC001318882917 909912548 /nfs/dbraw/zinc/91/25/48/909912548.db2.gz ZRKFIKXALBPADY-RYUDHWBXSA-N 2 2 250.346 0.902 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H](C[NH2+]CCO)C1CCCCC1 ZINC001319661958 910249282 /nfs/dbraw/zinc/24/92/82/910249282.db2.gz GUSHSQGURRZAOD-AWEZNQCLSA-N 2 2 294.399 0.599 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001319710183 910266781 /nfs/dbraw/zinc/26/67/81/910266781.db2.gz SELRQMLQDAHUIG-AAEUAGOBSA-N 2 2 280.372 0.425 20 0 CCADLP C[C@@H](O)C[NH2+]CC[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001319791767 910297041 /nfs/dbraw/zinc/29/70/41/910297041.db2.gz USCJNHLMFRUMMP-ZIAGYGMSSA-N 2 2 294.399 0.625 20 0 CCADLP Cc1nonc1C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001390407388 910400242 /nfs/dbraw/zinc/40/02/42/910400242.db2.gz UGHPOKHPRFSMGC-SNVBAGLBSA-N 2 2 295.387 0.457 20 0 CCADLP Cc1nonc1C[NH2+][C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001390407388 910400250 /nfs/dbraw/zinc/40/02/50/910400250.db2.gz UGHPOKHPRFSMGC-SNVBAGLBSA-N 2 2 295.387 0.457 20 0 CCADLP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1csnn1 ZINC001390477691 910451760 /nfs/dbraw/zinc/45/17/60/910451760.db2.gz XQGBUWOOAZFZGA-SECBINFHSA-N 2 2 271.390 0.084 20 0 CCADLP Cc1cnc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001390519587 910488639 /nfs/dbraw/zinc/48/86/39/910488639.db2.gz KHRDDWHQFKUAEQ-PWSUYJOCSA-N 2 2 280.372 0.529 20 0 CCADLP Cc1cnc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001390519587 910488650 /nfs/dbraw/zinc/48/86/50/910488650.db2.gz KHRDDWHQFKUAEQ-PWSUYJOCSA-N 2 2 280.372 0.529 20 0 CCADLP C[C@@H](CNC(=O)CCCn1cc[nH+]c1)[NH2+]C[C@H]1CCOC1 ZINC001390534796 910497213 /nfs/dbraw/zinc/49/72/13/910497213.db2.gz XJLQUAWRRXISIM-UONOGXRCSA-N 2 2 294.399 0.794 20 0 CCADLP C[N@H+](CCCO)C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001391355059 911071775 /nfs/dbraw/zinc/07/17/75/911071775.db2.gz OQQBOHPESXSUBB-LBPRGKRZSA-N 2 2 280.372 0.115 20 0 CCADLP C[N@@H+](CCCO)C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001391355059 911071795 /nfs/dbraw/zinc/07/17/95/911071795.db2.gz OQQBOHPESXSUBB-LBPRGKRZSA-N 2 2 280.372 0.115 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CCC[C@@H](C)O)C1 ZINC001391593635 911246700 /nfs/dbraw/zinc/24/67/00/911246700.db2.gz PVCJETQHTNXAPS-DGCLKSJQSA-N 2 2 294.399 0.612 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CCC[C@@H](C)O)C1 ZINC001391593635 911246720 /nfs/dbraw/zinc/24/67/20/911246720.db2.gz PVCJETQHTNXAPS-DGCLKSJQSA-N 2 2 294.399 0.612 20 0 CCADLP C[C@H](C[NH2+]CC1CC1)NC(=O)CCn1cc[nH+]c1 ZINC001321605805 911395338 /nfs/dbraw/zinc/39/53/38/911395338.db2.gz ZTVIMYBTHUZENC-LLVKDONJSA-N 2 2 250.346 0.778 20 0 CCADLP Cc1nnc(C[NH2+]C[C@H](C)CNC(=O)Cn2cc[nH+]c2)o1 ZINC001391966175 911488956 /nfs/dbraw/zinc/48/89/56/911488956.db2.gz MSLSOVHIRQFNSE-JTQLQIEISA-N 2 2 292.343 0.117 20 0 CCADLP C[C@@H](C[NH2+]CC[C@H]1CCOC1)NC(=O)Cn1cc[nH+]c1 ZINC001322094216 911652182 /nfs/dbraw/zinc/65/21/82/911652182.db2.gz UBZNCGCDBVJCRR-STQMWFEESA-N 2 2 280.372 0.404 20 0 CCADLP CN(CCC[NH2+]CCF)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001322555677 911858365 /nfs/dbraw/zinc/85/83/65/911858365.db2.gz UVWWXJYPCXVCTD-GHMZBOCLSA-N 2 2 268.336 0.921 20 0 CCADLP CN(CCC[NH2+]CCF)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001322555677 911858376 /nfs/dbraw/zinc/85/83/76/911858376.db2.gz UVWWXJYPCXVCTD-GHMZBOCLSA-N 2 2 268.336 0.921 20 0 CCADLP Cc1conc1C[NH2+]CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001322711823 911923777 /nfs/dbraw/zinc/92/37/77/911923777.db2.gz WJVVQNGOHZVOCP-UHFFFAOYSA-N 2 2 291.355 0.887 20 0 CCADLP C[C@@H](C[NH2+]C[C@H]1CCCCO1)NC(=O)CCn1cc[nH+]c1 ZINC001392583790 911958552 /nfs/dbraw/zinc/95/85/52/911958552.db2.gz PTCXCGQRMLNLQG-UONOGXRCSA-N 2 2 294.399 0.937 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001392854759 912203360 /nfs/dbraw/zinc/20/33/60/912203360.db2.gz KNMGLBNWOXVLGV-QWHCGFSZSA-N 2 2 280.372 0.499 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001392854759 912203382 /nfs/dbraw/zinc/20/33/82/912203382.db2.gz KNMGLBNWOXVLGV-QWHCGFSZSA-N 2 2 280.372 0.499 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCCC[N@H+]1CCC[C@@H]1CO ZINC001328296916 915088555 /nfs/dbraw/zinc/08/85/55/915088555.db2.gz HIPYQSCFBCFJLB-GFCCVEGCSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC001328296916 915088570 /nfs/dbraw/zinc/08/85/70/915088570.db2.gz HIPYQSCFBCFJLB-GFCCVEGCSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)NCC[NH+]1CC=CC1 ZINC001328678077 915356682 /nfs/dbraw/zinc/35/66/82/915356682.db2.gz DMGDYGNFSJEWMG-UHFFFAOYSA-N 2 2 274.368 0.750 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001328720884 915380818 /nfs/dbraw/zinc/38/08/18/915380818.db2.gz HINAGLAZMZQFDL-QJPTWQEYSA-N 2 2 262.357 0.641 20 0 CCADLP COC[C@H](C)[N@H+](CCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001400044572 915524732 /nfs/dbraw/zinc/52/47/32/915524732.db2.gz YIWRPQRNZJYPOV-LBPRGKRZSA-N 2 2 280.372 0.499 20 0 CCADLP COC[C@H](C)[N@@H+](CCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001400044572 915524745 /nfs/dbraw/zinc/52/47/45/915524745.db2.gz YIWRPQRNZJYPOV-LBPRGKRZSA-N 2 2 280.372 0.499 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H](CNC(=O)Cc1c[nH+]cn1C)C(C)C ZINC001401398885 916242882 /nfs/dbraw/zinc/24/28/82/916242882.db2.gz ZFEYFRMXGBRHCM-OCCSQVGLSA-N 2 2 296.415 0.728 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC001329884431 916251662 /nfs/dbraw/zinc/25/16/62/916251662.db2.gz OAKFMZOEDYCELG-WDEREUQCSA-N 2 2 250.346 0.656 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC001329884431 916251678 /nfs/dbraw/zinc/25/16/78/916251678.db2.gz OAKFMZOEDYCELG-WDEREUQCSA-N 2 2 250.346 0.656 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC001329884431 916251698 /nfs/dbraw/zinc/25/16/98/916251698.db2.gz OAKFMZOEDYCELG-WDEREUQCSA-N 2 2 250.346 0.656 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC001329884431 916251719 /nfs/dbraw/zinc/25/17/19/916251719.db2.gz OAKFMZOEDYCELG-WDEREUQCSA-N 2 2 250.346 0.656 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[NH2+]C[C@H]1CCOC1 ZINC001401661683 916437813 /nfs/dbraw/zinc/43/78/13/916437813.db2.gz VVRHYGDSQITVKO-ZYHUDNBSSA-N 2 2 280.372 0.391 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1csnn1 ZINC001401659319 916440472 /nfs/dbraw/zinc/44/04/72/916440472.db2.gz MGTIVPUUABVLDY-SNVBAGLBSA-N 2 2 285.417 0.474 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1csnn1 ZINC001401659319 916440481 /nfs/dbraw/zinc/44/04/81/916440481.db2.gz MGTIVPUUABVLDY-SNVBAGLBSA-N 2 2 285.417 0.474 20 0 CCADLP Cc1nnc(C[NH2+]C[C@H](C)NC(=O)C2([NH+](C)C)CCC2)[nH]1 ZINC001401686450 916481835 /nfs/dbraw/zinc/48/18/35/916481835.db2.gz PEEJUUZZWYUZQV-JTQLQIEISA-N 2 2 294.403 0.192 20 0 CCADLP C[C@@H](O)CCC[N@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001401812515 916608966 /nfs/dbraw/zinc/60/89/66/916608966.db2.gz BOEMMVHMEXCONI-CHWSQXEVSA-N 2 2 282.388 0.481 20 0 CCADLP C[C@@H](O)CCC[N@@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001401812515 916608975 /nfs/dbraw/zinc/60/89/75/916608975.db2.gz BOEMMVHMEXCONI-CHWSQXEVSA-N 2 2 282.388 0.481 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC001330593503 916724228 /nfs/dbraw/zinc/72/42/28/916724228.db2.gz QELMHZRFESDFNH-UUSXEQNQSA-N 2 2 281.400 0.379 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC001330593503 916724244 /nfs/dbraw/zinc/72/42/44/916724244.db2.gz QELMHZRFESDFNH-UUSXEQNQSA-N 2 2 281.400 0.379 20 0 CCADLP C[C@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001401954852 916727536 /nfs/dbraw/zinc/72/75/36/916727536.db2.gz LKLXKAPYVJHIJS-NWDGAFQWSA-N 2 2 292.383 0.065 20 0 CCADLP CC[C@H](C(=O)NCCN1CC[NH+](CCF)CC1)[NH+](C)C ZINC001402107204 916807039 /nfs/dbraw/zinc/80/70/39/916807039.db2.gz QGYCYGWCJZKSEJ-CYBMUJFWSA-N 2 2 288.411 0.030 20 0 CCADLP CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001402229980 916880814 /nfs/dbraw/zinc/88/08/14/916880814.db2.gz LDOOMTLOOOSQLH-ZDUSSCGKSA-N 2 2 298.431 0.043 20 0 CCADLP CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001402229980 916880830 /nfs/dbraw/zinc/88/08/30/916880830.db2.gz LDOOMTLOOOSQLH-ZDUSSCGKSA-N 2 2 298.431 0.043 20 0 CCADLP CCCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001402229980 916880841 /nfs/dbraw/zinc/88/08/41/916880841.db2.gz LDOOMTLOOOSQLH-ZDUSSCGKSA-N 2 2 298.431 0.043 20 0 CCADLP CCCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001402229980 916880855 /nfs/dbraw/zinc/88/08/55/916880855.db2.gz LDOOMTLOOOSQLH-ZDUSSCGKSA-N 2 2 298.431 0.043 20 0 CCADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cn1cnnc1 ZINC001331062451 917057775 /nfs/dbraw/zinc/05/77/75/917057775.db2.gz RROIWSICFDZMJQ-LBPRGKRZSA-N 2 2 258.329 0.841 20 0 CCADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cn1cnnc1 ZINC001331062451 917057789 /nfs/dbraw/zinc/05/77/89/917057789.db2.gz RROIWSICFDZMJQ-LBPRGKRZSA-N 2 2 258.329 0.841 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1COCC[N@@H+]1CC1CC1 ZINC001402533081 917081579 /nfs/dbraw/zinc/08/15/79/917081579.db2.gz ZSHDAUBPFCZUML-CQSZACIVSA-N 2 2 292.383 0.419 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1COCC[N@H+]1CC1CC1 ZINC001402533081 917081592 /nfs/dbraw/zinc/08/15/92/917081592.db2.gz ZSHDAUBPFCZUML-CQSZACIVSA-N 2 2 292.383 0.419 20 0 CCADLP Cc1cc(C[NH2+][C@H](C)[C@H](C)NC(=O)Cn2cc[nH+]c2)on1 ZINC001403019959 917425007 /nfs/dbraw/zinc/42/50/07/917425007.db2.gz BKQQYOMBVOXVJL-NEPJUHHUSA-N 2 2 291.355 0.863 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+]Cc1ccon1 ZINC001403140139 917522342 /nfs/dbraw/zinc/52/23/42/917522342.db2.gz MOSSOIZOPGISGP-SNVBAGLBSA-N 2 2 277.328 0.474 20 0 CCADLP CCC1([NH3+])CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC001331831446 917648345 /nfs/dbraw/zinc/64/83/45/917648345.db2.gz TVPRFGJRMWEOKS-UHFFFAOYSA-N 2 2 265.361 0.796 20 0 CCADLP COCCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@@H]1C ZINC001331927742 917725707 /nfs/dbraw/zinc/72/57/07/917725707.db2.gz FJSPMKQDKKOWJX-OLZOCXBDSA-N 2 2 294.399 0.876 20 0 CCADLP C[C@@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccnn1C ZINC001403610855 917843375 /nfs/dbraw/zinc/84/33/75/917843375.db2.gz LLQHGGSPIKCYLD-NSHDSACASA-N 2 2 290.371 0.322 20 0 CCADLP C[C@H]1CC[C@@H](C[N@H+](C)CCNC(=O)CCn2cc[nH+]c2)O1 ZINC001403649796 917888942 /nfs/dbraw/zinc/88/89/42/917888942.db2.gz YKXJHBKFZBLJSF-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@H]1CC[C@@H](C[N@@H+](C)CCNC(=O)CCn2cc[nH+]c2)O1 ZINC001403649796 917888962 /nfs/dbraw/zinc/88/89/62/917888962.db2.gz YKXJHBKFZBLJSF-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@@H]1[C@@H]([NH2+]Cc2csnn2)CCN1C(=O)CC[NH+](C)C ZINC001403738394 917979458 /nfs/dbraw/zinc/97/94/58/917979458.db2.gz DLCQSGYBZVLMEM-PWSUYJOCSA-N 2 2 297.428 0.569 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2ccnnc2)CC1 ZINC001332413695 918135478 /nfs/dbraw/zinc/13/54/78/918135478.db2.gz WWWWBMPSHNTWAY-UHFFFAOYSA-N 2 2 264.333 0.021 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@@H+]1C[C@@H]1CCOC1 ZINC001404013979 918170839 /nfs/dbraw/zinc/17/08/39/918170839.db2.gz CWCANQJFJCYDCB-UONOGXRCSA-N 2 2 292.383 0.500 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@H+]1C[C@@H]1CCOC1 ZINC001404013979 918170854 /nfs/dbraw/zinc/17/08/54/918170854.db2.gz CWCANQJFJCYDCB-UONOGXRCSA-N 2 2 292.383 0.500 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC001333323053 918805044 /nfs/dbraw/zinc/80/50/44/918805044.db2.gz WIRLREMTSVRNNC-RWMBFGLXSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC001333323053 918805057 /nfs/dbraw/zinc/80/50/57/918805057.db2.gz WIRLREMTSVRNNC-RWMBFGLXSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC001333323056 918805226 /nfs/dbraw/zinc/80/52/26/918805226.db2.gz WIRLREMTSVRNNC-UPJWGTAASA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC001333323056 918805231 /nfs/dbraw/zinc/80/52/31/918805231.db2.gz WIRLREMTSVRNNC-UPJWGTAASA-N 2 2 269.389 0.341 20 0 CCADLP CN(CC[N@H+](C)CC[C@H]1CCCO1)C(=O)Cc1c[nH+]c[nH]1 ZINC001406143990 919074871 /nfs/dbraw/zinc/07/48/71/919074871.db2.gz XHUZJEAEOSTLSX-CQSZACIVSA-N 2 2 294.399 0.912 20 0 CCADLP CN(CC[N@@H+](C)CC[C@H]1CCCO1)C(=O)Cc1c[nH+]c[nH]1 ZINC001406143990 919074883 /nfs/dbraw/zinc/07/48/83/919074883.db2.gz XHUZJEAEOSTLSX-CQSZACIVSA-N 2 2 294.399 0.912 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](O)C[NH2+]CC1CCC1 ZINC001406279804 919152385 /nfs/dbraw/zinc/15/23/85/919152385.db2.gz HYMHZGFCSSLJRF-RISCZKNCSA-N 2 2 294.399 0.455 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](O)C[NH2+]CC1CCC1 ZINC001406279804 919152397 /nfs/dbraw/zinc/15/23/97/919152397.db2.gz HYMHZGFCSSLJRF-RISCZKNCSA-N 2 2 294.399 0.455 20 0 CCADLP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1nnc(C)o1)[NH+](C)C ZINC001406501250 919306839 /nfs/dbraw/zinc/30/68/39/919306839.db2.gz ORCYMVJVERWENN-GXSJLCMTSA-N 2 2 283.376 0.313 20 0 CCADLP Cc1cc(C[N@H+]2CC[C@H]2CNC(=O)CC[NH+](C)C)ncn1 ZINC001406863018 919504596 /nfs/dbraw/zinc/50/45/96/919504596.db2.gz OMUQYRVRKKFFSK-AWEZNQCLSA-N 2 2 291.399 0.427 20 0 CCADLP Cc1cc(C[N@@H+]2CC[C@H]2CNC(=O)CC[NH+](C)C)ncn1 ZINC001406863018 919504607 /nfs/dbraw/zinc/50/46/07/919504607.db2.gz OMUQYRVRKKFFSK-AWEZNQCLSA-N 2 2 291.399 0.427 20 0 CCADLP Cc1nnc(C[NH2+]C2(CNC(=O)C[N@@H+](C)C(C)C)CC2)[nH]1 ZINC001407008904 919572158 /nfs/dbraw/zinc/57/21/58/919572158.db2.gz PLQCRZZNTMYJEW-UHFFFAOYSA-N 2 2 294.403 0.192 20 0 CCADLP Cc1nnc(C[NH2+]C2(CNC(=O)C[N@H+](C)C(C)C)CC2)[nH]1 ZINC001407008904 919572164 /nfs/dbraw/zinc/57/21/64/919572164.db2.gz PLQCRZZNTMYJEW-UHFFFAOYSA-N 2 2 294.403 0.192 20 0 CCADLP C[C@@H](O)CCC[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001407066045 919598767 /nfs/dbraw/zinc/59/87/67/919598767.db2.gz ZWJDLDLBQIKMFT-UKRRQHHQSA-N 2 2 297.443 0.774 20 0 CCADLP C[C@@H](O)CCC[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001407066045 919598780 /nfs/dbraw/zinc/59/87/80/919598780.db2.gz ZWJDLDLBQIKMFT-UKRRQHHQSA-N 2 2 297.443 0.774 20 0 CCADLP C[C@@H](F)CC[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001407388117 919736652 /nfs/dbraw/zinc/73/66/52/919736652.db2.gz VEWIGHAZZYASDE-OCCSQVGLSA-N 2 2 298.362 0.184 20 0 CCADLP C[C@@H](F)CC[N@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001407388117 919736662 /nfs/dbraw/zinc/73/66/62/919736662.db2.gz VEWIGHAZZYASDE-OCCSQVGLSA-N 2 2 298.362 0.184 20 0 CCADLP CCOCCOCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC001334888932 919819540 /nfs/dbraw/zinc/81/95/40/919819540.db2.gz UYYHZGAQMVTBDL-UHFFFAOYSA-N 2 2 268.361 0.585 20 0 CCADLP C[NH+](C)CCC(=O)NC[C@@H]1COCC[N@@H+]1CCCF ZINC001407759412 919877727 /nfs/dbraw/zinc/87/77/27/919877727.db2.gz PJYFPIWGKJOQED-GFCCVEGCSA-N 2 2 275.368 0.115 20 0 CCADLP C[NH+](C)CCC(=O)NC[C@@H]1COCC[N@H+]1CCCF ZINC001407759412 919877730 /nfs/dbraw/zinc/87/77/30/919877730.db2.gz PJYFPIWGKJOQED-GFCCVEGCSA-N 2 2 275.368 0.115 20 0 CCADLP CCC[NH2+][C@@]1(CO)CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001408025239 919990734 /nfs/dbraw/zinc/99/07/34/919990734.db2.gz MOEBQCAELRMYEB-HNNXBMFYSA-N 2 2 294.399 0.316 20 0 CCADLP CC1(C)C[NH2+]C[C@H]1NC(=O)NCCCn1cc[nH+]c1 ZINC001335360311 920144609 /nfs/dbraw/zinc/14/46/09/920144609.db2.gz JDCNTIIEPREVBP-LLVKDONJSA-N 2 2 265.361 0.570 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001335556659 920278165 /nfs/dbraw/zinc/27/81/65/920278165.db2.gz KYFQBRICLZORDB-GMTAPVOTSA-N 2 2 263.345 0.105 20 0 CCADLP C[NH2+]C[C@@H]1CCCCN1C(=O)NCc1c[nH+]cn1C ZINC001335572546 920286538 /nfs/dbraw/zinc/28/65/38/920286538.db2.gz QZRZKLSDHIWGSS-NSHDSACASA-N 2 2 265.361 0.704 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)N1CCC[C@@]12CC[NH2+]C2 ZINC001336710216 920943404 /nfs/dbraw/zinc/94/34/04/920943404.db2.gz MRLQEJMATMKXPG-AWEZNQCLSA-N 2 2 277.372 0.811 20 0 CCADLP CC(C)(C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)c1c[nH+]c[nH]1 ZINC001340161527 921987692 /nfs/dbraw/zinc/98/76/92/921987692.db2.gz AKUBYTVDMAUHHO-GHMZBOCLSA-N 2 2 262.357 0.898 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)CNC(=O)C[NH+]2CCCC2)o1 ZINC001418314234 922017036 /nfs/dbraw/zinc/01/70/36/922017036.db2.gz GZOCBLATGGBYBC-SNVBAGLBSA-N 2 2 281.360 0.068 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001418489193 922174077 /nfs/dbraw/zinc/17/40/77/922174077.db2.gz UGMWCUYPXIEHJO-ZDUSSCGKSA-N 2 2 298.431 0.043 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001418489193 922174087 /nfs/dbraw/zinc/17/40/87/922174087.db2.gz UGMWCUYPXIEHJO-ZDUSSCGKSA-N 2 2 298.431 0.043 20 0 CCADLP CC(C)NC(=O)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001418489193 922174095 /nfs/dbraw/zinc/17/40/95/922174095.db2.gz UGMWCUYPXIEHJO-ZDUSSCGKSA-N 2 2 298.431 0.043 20 0 CCADLP CC(C)NC(=O)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001418489193 922174105 /nfs/dbraw/zinc/17/41/05/922174105.db2.gz UGMWCUYPXIEHJO-ZDUSSCGKSA-N 2 2 298.431 0.043 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)C1=NOC2(C1)CC[NH2+]CC2 ZINC001340774791 922211432 /nfs/dbraw/zinc/21/14/32/922211432.db2.gz VEQZWOQBXBCEGB-UHFFFAOYSA-N 2 2 291.355 0.288 20 0 CCADLP CC[N@H+](CCCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001418565217 922263927 /nfs/dbraw/zinc/26/39/27/922263927.db2.gz UNMNIHYMBODWMH-CHWSQXEVSA-N 2 2 294.399 0.344 20 0 CCADLP CC[N@@H+](CCCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001418565217 922263942 /nfs/dbraw/zinc/26/39/42/922263942.db2.gz UNMNIHYMBODWMH-CHWSQXEVSA-N 2 2 294.399 0.344 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NC[C@H]1CC[N@H+](CCCO)C1 ZINC001418692762 922369746 /nfs/dbraw/zinc/36/97/46/922369746.db2.gz VUIKTIATGLYSTA-CYBMUJFWSA-N 2 2 294.399 0.173 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NC[C@H]1CC[N@@H+](CCCO)C1 ZINC001418692762 922369763 /nfs/dbraw/zinc/36/97/63/922369763.db2.gz VUIKTIATGLYSTA-CYBMUJFWSA-N 2 2 294.399 0.173 20 0 CCADLP C[C@H](CC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)n1cc[nH+]c1 ZINC001341272198 922405089 /nfs/dbraw/zinc/40/50/89/922405089.db2.gz OQQKSROAPBYQJE-FRRDWIJNSA-N 2 2 262.357 0.902 20 0 CCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001418972342 922529877 /nfs/dbraw/zinc/52/98/77/922529877.db2.gz QLESKBKWBKOCCU-NWDGAFQWSA-N 2 2 294.399 0.578 20 0 CCADLP O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@H]1CCn2cc[nH+]c2C1 ZINC001341537369 922541006 /nfs/dbraw/zinc/54/10/06/922541006.db2.gz VFTXGLGSGISJFG-NNYUYHANSA-N 2 2 260.341 0.455 20 0 CCADLP COCC[NH2+]C1CCN(C(=O)C[C@@H]([NH3+])C(F)F)CC1 ZINC001342052044 922778725 /nfs/dbraw/zinc/77/87/25/922778725.db2.gz SJXKHOYVRLRJPX-SNVBAGLBSA-N 2 2 279.331 0.196 20 0 CCADLP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]([NH3+])C(F)F)C2 ZINC001342154159 922833421 /nfs/dbraw/zinc/83/34/21/922833421.db2.gz FFDCQLSONBRQDU-SBMIAAHKSA-N 2 2 261.316 0.556 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1C[N@H+](CC2CCC2)CCO1 ZINC001419576179 922927583 /nfs/dbraw/zinc/92/75/83/922927583.db2.gz AQIWWADQLQBQHP-AWEZNQCLSA-N 2 2 292.383 0.500 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1C[N@@H+](CC2CCC2)CCO1 ZINC001419576179 922927602 /nfs/dbraw/zinc/92/76/02/922927602.db2.gz AQIWWADQLQBQHP-AWEZNQCLSA-N 2 2 292.383 0.500 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC001342537745 922993601 /nfs/dbraw/zinc/99/36/01/922993601.db2.gz YEZXRXGWLBKSDG-TZMCWYRMSA-N 2 2 269.389 0.356 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC[C@@H]1CCOC1 ZINC001419842817 923130956 /nfs/dbraw/zinc/13/09/56/923130956.db2.gz AGXFOIBEQRGWDA-NWDGAFQWSA-N 2 2 280.372 0.473 20 0 CCADLP Cc1cc(N)nc(N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)[nH+]1 ZINC001342945958 923144390 /nfs/dbraw/zinc/14/43/90/923144390.db2.gz BISPPXLYCJWKJW-VHSXEESVSA-N 2 2 251.334 0.498 20 0 CCADLP CC[C@@H](C[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)OC ZINC001420016203 923240768 /nfs/dbraw/zinc/24/07/68/923240768.db2.gz XIARAASHVCWFIG-KBPBESRZSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@H]([NH3+])C1(C(=O)NCCCn2cc[nH+]c2)CCOCC1 ZINC001343340275 923275973 /nfs/dbraw/zinc/27/59/73/923275973.db2.gz PUKKFAFOUIUQEH-LBPRGKRZSA-N 2 2 280.372 0.533 20 0 CCADLP CC[C@H](C(=O)NC[C@@H](C)[NH3+])[N@@H+]1CCO[C@H](CC)C1 ZINC001343487185 923344843 /nfs/dbraw/zinc/34/48/43/923344843.db2.gz LYWLSPZMHMVBMU-IJLUTSLNSA-N 2 2 257.378 0.339 20 0 CCADLP CC[C@H](C(=O)NC[C@@H](C)[NH3+])[N@H+]1CCO[C@H](CC)C1 ZINC001343487185 923344856 /nfs/dbraw/zinc/34/48/56/923344856.db2.gz LYWLSPZMHMVBMU-IJLUTSLNSA-N 2 2 257.378 0.339 20 0 CCADLP [NH3+][C@H](CC(=O)N[C@H]1CC[NH2+]C12CCCC2)C(F)F ZINC001343879422 923490102 /nfs/dbraw/zinc/49/01/02/923490102.db2.gz DJCIPQKEPDJDPU-BDAKNGLRSA-N 2 2 261.316 0.760 20 0 CCADLP C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1cncs1 ZINC001420348834 923560862 /nfs/dbraw/zinc/56/08/62/923560862.db2.gz WDCWZISGRHCNTK-LLVKDONJSA-N 2 2 282.413 0.643 20 0 CCADLP C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1cncs1 ZINC001420348834 923560869 /nfs/dbraw/zinc/56/08/69/923560869.db2.gz WDCWZISGRHCNTK-LLVKDONJSA-N 2 2 282.413 0.643 20 0 CCADLP C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1cncs1 ZINC001420348834 923560878 /nfs/dbraw/zinc/56/08/78/923560878.db2.gz WDCWZISGRHCNTK-LLVKDONJSA-N 2 2 282.413 0.643 20 0 CCADLP C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1cncs1 ZINC001420348834 923560889 /nfs/dbraw/zinc/56/08/89/923560889.db2.gz WDCWZISGRHCNTK-LLVKDONJSA-N 2 2 282.413 0.643 20 0 CCADLP COc1cc(C[NH2+]C[C@H](C)NC(=O)Cn2cc[nH+]c2)on1 ZINC001420524177 923741571 /nfs/dbraw/zinc/74/15/71/923741571.db2.gz UDEZMAZWZVHRLB-JTQLQIEISA-N 2 2 293.327 0.174 20 0 CCADLP CC(C)[C@H](C(=O)NC1C[NH+](C[C@H]2CCCCO2)C1)[NH+](C)C ZINC001421082946 924143639 /nfs/dbraw/zinc/14/36/39/924143639.db2.gz DXSMJCAXDRFQHF-HUUCEWRRSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@](O)(C[C@H](O)C[NH2+][C@@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC001346338162 924167525 /nfs/dbraw/zinc/16/75/25/924167525.db2.gz DKNQAJFIYLJYOS-XBFCOCLRSA-N 2 2 265.357 0.309 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@@]1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001421254190 924241892 /nfs/dbraw/zinc/24/18/92/924241892.db2.gz ULHBRNWYEBJYOK-IUODEOHRSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)CCc1[nH+]ccn1C ZINC001349899507 925089975 /nfs/dbraw/zinc/08/99/75/925089975.db2.gz DESIAJQDHXDFAA-VXGBXAGGSA-N 2 2 264.373 0.904 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001353063522 925719404 /nfs/dbraw/zinc/71/94/04/925719404.db2.gz MKOAUWBTWVTZRY-JTQLQIEISA-N 2 2 252.318 0.089 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+](C)CN1C(=O)[C@@H]2CC[C@@H]2C1=O ZINC001353184621 925752872 /nfs/dbraw/zinc/75/28/72/925752872.db2.gz MPGADQVOMBHFQO-BETUJISGSA-N 2 2 290.367 0.866 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+](C)CN1C(=O)[C@@H]2CC[C@@H]2C1=O ZINC001353184621 925752878 /nfs/dbraw/zinc/75/28/78/925752878.db2.gz MPGADQVOMBHFQO-BETUJISGSA-N 2 2 290.367 0.866 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1C[C@H]1C(F)(F)F)C1CC1 ZINC001353309272 925789381 /nfs/dbraw/zinc/78/93/81/925789381.db2.gz DJNNXMGXXIXQSW-OPRDCNLKSA-N 2 2 252.280 0.982 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1C[C@H]1C(F)(F)F)C1CC1 ZINC001353309272 925789386 /nfs/dbraw/zinc/78/93/86/925789386.db2.gz DJNNXMGXXIXQSW-OPRDCNLKSA-N 2 2 252.280 0.982 20 0 CCADLP C[C@@H](CNC(=O)C1=CCC[NH2+]CC1)Cn1cc[nH+]c1 ZINC001353494578 925849091 /nfs/dbraw/zinc/84/90/91/925849091.db2.gz GXFINVXYORSOMD-LBPRGKRZSA-N 2 2 262.357 0.945 20 0 CCADLP CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001421616566 926820533 /nfs/dbraw/zinc/82/05/33/926820533.db2.gz TVRXGNHFMIMSJH-JMSVASOKSA-N 2 2 292.383 0.476 20 0 CCADLP CC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001421616566 926820543 /nfs/dbraw/zinc/82/05/43/926820543.db2.gz TVRXGNHFMIMSJH-JMSVASOKSA-N 2 2 292.383 0.476 20 0 CCADLP CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001421696851 926862773 /nfs/dbraw/zinc/86/27/73/926862773.db2.gz DEWDAMVRQBHIFX-KBPBESRZSA-N 2 2 283.416 0.555 20 0 CCADLP CCC[N@H+]1CCOC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001421696851 926862789 /nfs/dbraw/zinc/86/27/89/926862789.db2.gz DEWDAMVRQBHIFX-KBPBESRZSA-N 2 2 283.416 0.555 20 0 CCADLP CCC[NH+]1CCOC[C@@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001421696851 926862797 /nfs/dbraw/zinc/86/27/97/926862797.db2.gz DEWDAMVRQBHIFX-KBPBESRZSA-N 2 2 283.416 0.555 20 0 CCADLP CCC[NH+]1CCOC[C@@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001421696851 926862812 /nfs/dbraw/zinc/86/28/12/926862812.db2.gz DEWDAMVRQBHIFX-KBPBESRZSA-N 2 2 283.416 0.555 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)CCc1c[nH+]cn1C ZINC001421980852 927022488 /nfs/dbraw/zinc/02/24/88/927022488.db2.gz BQMHSGCYNYVVER-CHWSQXEVSA-N 2 2 296.415 0.824 20 0 CCADLP CC[C@H](C(=O)NC[C@@H]1CC[NH+](C)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC001361832835 927366816 /nfs/dbraw/zinc/36/68/16/927366816.db2.gz ICQNRKCBQRVYEV-RRFJBIMHSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@H](C(=O)NC[C@@H]1CC[NH+](C)C1)[N@H+]1CCO[C@H](CC)C1 ZINC001361832835 927366828 /nfs/dbraw/zinc/36/68/28/927366828.db2.gz ICQNRKCBQRVYEV-RRFJBIMHSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)[NH+]1CCO[C@H](CC)C1 ZINC001361832835 927366834 /nfs/dbraw/zinc/36/68/34/927366834.db2.gz ICQNRKCBQRVYEV-RRFJBIMHSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)C1)[NH+]1CCO[C@H](CC)C1 ZINC001361832835 927366842 /nfs/dbraw/zinc/36/68/42/927366842.db2.gz ICQNRKCBQRVYEV-RRFJBIMHSA-N 2 2 297.443 0.944 20 0 CCADLP CO[C@@H](C)C[NH+]1CC([C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001422760951 927492511 /nfs/dbraw/zinc/49/25/11/927492511.db2.gz KSWAPKBCRMQYNB-RYUDHWBXSA-N 2 2 280.372 0.355 20 0 CCADLP C[C@H](c1ncccn1)[N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001422886189 927574042 /nfs/dbraw/zinc/57/40/42/927574042.db2.gz NZMFZFWDVVAWLA-QWHCGFSZSA-N 2 2 293.415 0.926 20 0 CCADLP C[C@H](c1ncccn1)[N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001422886189 927574045 /nfs/dbraw/zinc/57/40/45/927574045.db2.gz NZMFZFWDVVAWLA-QWHCGFSZSA-N 2 2 293.415 0.926 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001422906415 927581708 /nfs/dbraw/zinc/58/17/08/927581708.db2.gz VASRLIPEODVRBZ-CYDGBPFRSA-N 2 2 294.399 0.454 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001422906415 927581718 /nfs/dbraw/zinc/58/17/18/927581718.db2.gz VASRLIPEODVRBZ-CYDGBPFRSA-N 2 2 294.399 0.454 20 0 CCADLP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1nncs1)[NH+](C)C ZINC001423081698 927666132 /nfs/dbraw/zinc/66/61/32/927666132.db2.gz VSUSNMVMRRBDAU-WDEREUQCSA-N 2 2 299.444 0.815 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC001362187844 927710300 /nfs/dbraw/zinc/71/03/00/927710300.db2.gz IASSNNFFWMHKKX-UHFFFAOYSA-N 2 2 293.415 0.287 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC001362187844 927710307 /nfs/dbraw/zinc/71/03/07/927710307.db2.gz IASSNNFFWMHKKX-UHFFFAOYSA-N 2 2 293.415 0.287 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001423185003 927719626 /nfs/dbraw/zinc/71/96/26/927719626.db2.gz ZSKWMSSGQFXLSI-VXGBXAGGSA-N 2 2 280.372 0.188 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001423185003 927719635 /nfs/dbraw/zinc/71/96/35/927719635.db2.gz ZSKWMSSGQFXLSI-VXGBXAGGSA-N 2 2 280.372 0.188 20 0 CCADLP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccccn1 ZINC001423192902 927726972 /nfs/dbraw/zinc/72/69/72/927726972.db2.gz YJJZSIPDRNXPLA-CYBMUJFWSA-N 2 2 287.367 0.915 20 0 CCADLP Cc1cnc([C@H](C)[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C)o1 ZINC001423255023 927767857 /nfs/dbraw/zinc/76/78/57/927767857.db2.gz BTBJLKXMGWPWRK-RYUDHWBXSA-N 2 2 298.387 0.062 20 0 CCADLP Cc1cnc([C@@H](C)[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C)o1 ZINC001423255025 927768983 /nfs/dbraw/zinc/76/89/83/927768983.db2.gz BTBJLKXMGWPWRK-VXGBXAGGSA-N 2 2 298.387 0.062 20 0 CCADLP CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001423446690 927866503 /nfs/dbraw/zinc/86/65/03/927866503.db2.gz PDIJKNMMVZSHNJ-KGLIPLIRSA-N 2 2 296.415 0.899 20 0 CCADLP C[C@H](O)C[NH2+]C1CC(N(C)C(=O)CCc2[nH+]ccn2C)C1 ZINC001423684616 927957058 /nfs/dbraw/zinc/95/70/58/927957058.db2.gz SPIPRJLOXDMAEL-HIFPTAJRSA-N 2 2 294.399 0.313 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001424087379 928091397 /nfs/dbraw/zinc/09/13/97/928091397.db2.gz RTIVJYDEAQVNIY-IHRRRGAJSA-N 2 2 294.399 0.529 20 0 CCADLP C[C@@H](CCNC(=O)CCc1c[nH]c[nH+]1)[NH2+]C[C@H]1CCOC1 ZINC001424572253 928220250 /nfs/dbraw/zinc/22/02/50/928220250.db2.gz MXKGJZGZRVISCA-QWHCGFSZSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@@H](CCNC(=O)CCc1c[nH+]c[nH]1)[NH2+]C[C@H]1CCOC1 ZINC001424572253 928220260 /nfs/dbraw/zinc/22/02/60/928220260.db2.gz MXKGJZGZRVISCA-QWHCGFSZSA-N 2 2 294.399 0.863 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)o1 ZINC001424855331 928320867 /nfs/dbraw/zinc/32/08/67/928320867.db2.gz MFIIASCCJKHSHW-WDEREUQCSA-N 2 2 297.403 0.701 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)C(C)C)o1 ZINC001424855331 928320878 /nfs/dbraw/zinc/32/08/78/928320878.db2.gz MFIIASCCJKHSHW-WDEREUQCSA-N 2 2 297.403 0.701 20 0 CCADLP CC(C)[C@H](CCN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]C[C@H](C)O ZINC001425157813 928448334 /nfs/dbraw/zinc/44/83/34/928448334.db2.gz GPTHLZWTAFIKRZ-STQMWFEESA-N 2 2 296.415 0.796 20 0 CCADLP CC[C@H](C[NH+]1CC([C@@H](C)NC(=O)Cn2cc[nH+]c2)C1)OC ZINC001425265641 928485821 /nfs/dbraw/zinc/48/58/21/928485821.db2.gz ORNCOOBVZQLFIB-TZMCWYRMSA-N 2 2 294.399 0.745 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001425510367 928571521 /nfs/dbraw/zinc/57/15/21/928571521.db2.gz OVJYLEUBNUBYAT-DGCLKSJQSA-N 2 2 280.372 0.091 20 0 CCADLP O=C(NC[C@H](CO)[NH2+]CC1CC1)c1cccc2[nH+]ccn21 ZINC001425777345 928667716 /nfs/dbraw/zinc/66/77/16/928667716.db2.gz LRZXNDVTZPUDHC-GFCCVEGCSA-N 2 2 288.351 0.425 20 0 CCADLP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CC[NH+](C)[C@@H](CO)C3)C[N@@H+]2C1 ZINC001363231520 929002830 /nfs/dbraw/zinc/00/28/30/929002830.db2.gz IJFROZHOGPFQDO-CBBWQLFWSA-N 2 2 295.427 0.242 20 0 CCADLP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CC[NH+](C)[C@@H](CO)C3)C[N@H+]2C1 ZINC001363231520 929002837 /nfs/dbraw/zinc/00/28/37/929002837.db2.gz IJFROZHOGPFQDO-CBBWQLFWSA-N 2 2 295.427 0.242 20 0 CCADLP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CC[N@H+](C)[C@@H](CO)C3)C[NH+]2C1 ZINC001363231520 929002843 /nfs/dbraw/zinc/00/28/43/929002843.db2.gz IJFROZHOGPFQDO-CBBWQLFWSA-N 2 2 295.427 0.242 20 0 CCADLP C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CC[N@@H+](C)[C@@H](CO)C3)C[NH+]2C1 ZINC001363231520 929002850 /nfs/dbraw/zinc/00/28/50/929002850.db2.gz IJFROZHOGPFQDO-CBBWQLFWSA-N 2 2 295.427 0.242 20 0 CCADLP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)Nc3ccncc3)C[C@@H]2C1 ZINC001363293936 929087576 /nfs/dbraw/zinc/08/75/76/929087576.db2.gz MNRGIUFFJVOJGV-OLZOCXBDSA-N 2 2 274.368 0.326 20 0 CCADLP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)Nc3ccncc3)C[C@@H]2C1 ZINC001363293936 929087585 /nfs/dbraw/zinc/08/75/85/929087585.db2.gz MNRGIUFFJVOJGV-OLZOCXBDSA-N 2 2 274.368 0.326 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)Nc3ccncc3)C[C@@H]2C1 ZINC001363293936 929087597 /nfs/dbraw/zinc/08/75/97/929087597.db2.gz MNRGIUFFJVOJGV-OLZOCXBDSA-N 2 2 274.368 0.326 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)Nc3ccncc3)C[C@@H]2C1 ZINC001363293936 929087609 /nfs/dbraw/zinc/08/76/09/929087609.db2.gz MNRGIUFFJVOJGV-OLZOCXBDSA-N 2 2 274.368 0.326 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001363626958 929429434 /nfs/dbraw/zinc/42/94/34/929429434.db2.gz GQMQHAWUSMLPFY-GFCCVEGCSA-N 2 2 278.356 0.253 20 0 CCADLP CC(C)[C@H](C(=O)NC1C[NH+](CCCO)C1)[NH+]1CCCCC1 ZINC001443561627 929646969 /nfs/dbraw/zinc/64/69/69/929646969.db2.gz MFTUREZUAOHIKT-OAHLLOKOSA-N 2 2 297.443 0.680 20 0 CCADLP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1csnn1 ZINC001443989048 929760314 /nfs/dbraw/zinc/76/03/14/929760314.db2.gz VVLQCHYAXWRCHY-SNVBAGLBSA-N 2 2 285.417 0.474 20 0 CCADLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]C[C@@H]1CCOC1 ZINC001444000126 929763137 /nfs/dbraw/zinc/76/31/37/929763137.db2.gz DKEFVFIGZDCZNF-NWDGAFQWSA-N 2 2 280.372 0.473 20 0 CCADLP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccns1 ZINC001372223315 929772381 /nfs/dbraw/zinc/77/23/81/929772381.db2.gz YBBQEASLJVZGRW-NSHDSACASA-N 2 2 282.413 0.643 20 0 CCADLP C[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccns1 ZINC001372223315 929772391 /nfs/dbraw/zinc/77/23/91/929772391.db2.gz YBBQEASLJVZGRW-NSHDSACASA-N 2 2 282.413 0.643 20 0 CCADLP C[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccns1 ZINC001372223315 929772401 /nfs/dbraw/zinc/77/24/01/929772401.db2.gz YBBQEASLJVZGRW-NSHDSACASA-N 2 2 282.413 0.643 20 0 CCADLP C[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccns1 ZINC001372223315 929772406 /nfs/dbraw/zinc/77/24/06/929772406.db2.gz YBBQEASLJVZGRW-NSHDSACASA-N 2 2 282.413 0.643 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]Cc1nccs1 ZINC001444386096 929858455 /nfs/dbraw/zinc/85/84/55/929858455.db2.gz HAPYJEGFHJIDQU-SNVBAGLBSA-N 2 2 293.396 0.951 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CCO ZINC001444896722 929967684 /nfs/dbraw/zinc/96/76/84/929967684.db2.gz SWQPWNHRFVKCFY-TZMCWYRMSA-N 2 2 294.399 0.168 20 0 CCADLP O=C(NCC[N@@H+](CCO)C1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001372825844 929977786 /nfs/dbraw/zinc/97/77/86/929977786.db2.gz INQPBSARAOCOSY-GFCCVEGCSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(NCC[N@H+](CCO)C1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001372825844 929977804 /nfs/dbraw/zinc/97/78/04/929977804.db2.gz INQPBSARAOCOSY-GFCCVEGCSA-N 2 2 292.383 0.018 20 0 CCADLP Cc1ccncc1C[NH2+]C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001445456319 930138643 /nfs/dbraw/zinc/13/86/43/930138643.db2.gz OYTQZTLYWZXUDX-GFCCVEGCSA-N 2 2 287.367 0.950 20 0 CCADLP COc1cc(C[NH2+]C[C@@H](C)NC(=O)Cn2cc[nH+]c2)on1 ZINC001445502660 930149888 /nfs/dbraw/zinc/14/98/88/930149888.db2.gz UDEZMAZWZVHRLB-SNVBAGLBSA-N 2 2 293.327 0.174 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CCC[C@@H](C)O)C1 ZINC001373433825 930191593 /nfs/dbraw/zinc/19/15/93/930191593.db2.gz XVPBPYWQKFZNIG-UKRRQHHQSA-N 2 2 297.443 0.822 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CCC[C@@H](C)O)C1 ZINC001373433825 930191599 /nfs/dbraw/zinc/19/15/99/930191599.db2.gz XVPBPYWQKFZNIG-UKRRQHHQSA-N 2 2 297.443 0.822 20 0 CCADLP CC(C)[C@@H](C(=O)NC1C[NH+](CCCO)C1)[NH+]1CCCC1 ZINC001373491317 930217183 /nfs/dbraw/zinc/21/71/83/930217183.db2.gz ZRQIXQOMYUCWLM-AWEZNQCLSA-N 2 2 283.416 0.290 20 0 CCADLP C[C@H](C[N@H+](C)CCF)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001445756293 930239778 /nfs/dbraw/zinc/23/97/78/930239778.db2.gz DCFCCWGQUAVWTG-VXGBXAGGSA-N 2 2 282.363 0.852 20 0 CCADLP C[C@H](C[N@@H+](C)CCF)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001445756293 930239789 /nfs/dbraw/zinc/23/97/89/930239789.db2.gz DCFCCWGQUAVWTG-VXGBXAGGSA-N 2 2 282.363 0.852 20 0 CCADLP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccnn1C ZINC001373801519 930346963 /nfs/dbraw/zinc/34/69/63/930346963.db2.gz OKGBAALAFJDQON-NSHDSACASA-N 2 2 290.371 0.370 20 0 CCADLP CC[C@@H](C[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1)OC ZINC001374327016 930486253 /nfs/dbraw/zinc/48/62/53/930486253.db2.gz BFNHILLJYDDONB-STQMWFEESA-N 2 2 282.388 0.745 20 0 CCADLP C[C@@H](O)C[N@H+](C)CCCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001447370560 930619522 /nfs/dbraw/zinc/61/95/22/930619522.db2.gz JTDXHLZLLCRWQB-GFCCVEGCSA-N 2 2 296.415 0.848 20 0 CCADLP C[C@@H](O)C[N@@H+](C)CCCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001447370560 930619529 /nfs/dbraw/zinc/61/95/29/930619529.db2.gz JTDXHLZLLCRWQB-GFCCVEGCSA-N 2 2 296.415 0.848 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001447756158 930697222 /nfs/dbraw/zinc/69/72/22/930697222.db2.gz ABGIPEFYGJMWRI-OLZOCXBDSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@@H]([NH2+]CC1CCOCC1)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001447909390 930752141 /nfs/dbraw/zinc/75/21/41/930752141.db2.gz NQUQIQPFJVYUHY-NEPJUHHUSA-N 2 2 294.399 0.862 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)C[C@@H]1CCCOC1 ZINC001448122373 930825110 /nfs/dbraw/zinc/82/51/10/930825110.db2.gz PBBOKRKXMGVGTN-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC001448122373 930825123 /nfs/dbraw/zinc/82/51/23/930825123.db2.gz PBBOKRKXMGVGTN-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP CC[C@@H](C[N@H+](C)[C@@H](C)CNC(=O)Cc1c[nH+]cn1C)OC ZINC001448127830 930826790 /nfs/dbraw/zinc/82/67/90/930826790.db2.gz BDTSTBITFVNSHV-JSGCOSHPSA-N 2 2 296.415 0.824 20 0 CCADLP CC[C@@H](C[N@@H+](C)[C@@H](C)CNC(=O)Cc1c[nH+]cn1C)OC ZINC001448127830 930826795 /nfs/dbraw/zinc/82/67/95/930826795.db2.gz BDTSTBITFVNSHV-JSGCOSHPSA-N 2 2 296.415 0.824 20 0 CCADLP Cc1nn(C)cc1C[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001375340374 930858354 /nfs/dbraw/zinc/85/83/54/930858354.db2.gz LTDRLAHGHBSAJM-CQSZACIVSA-N 2 2 293.415 0.371 20 0 CCADLP Cc1nn(C)cc1C[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001375340374 930858356 /nfs/dbraw/zinc/85/83/56/930858356.db2.gz LTDRLAHGHBSAJM-CQSZACIVSA-N 2 2 293.415 0.371 20 0 CCADLP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@@H+]1Cc1ccccn1 ZINC001375372310 930866310 /nfs/dbraw/zinc/86/63/10/930866310.db2.gz BVVSBRVTYQHDLQ-HNNXBMFYSA-N 2 2 288.395 0.868 20 0 CCADLP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@H+]1Cc1ccccn1 ZINC001375372310 930866313 /nfs/dbraw/zinc/86/63/13/930866313.db2.gz BVVSBRVTYQHDLQ-HNNXBMFYSA-N 2 2 288.395 0.868 20 0 CCADLP COC[C@@H](C)[NH+]1CCC(C)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001375782300 930974846 /nfs/dbraw/zinc/97/48/46/930974846.db2.gz LHQAQLGNYIVIGX-CYBMUJFWSA-N 2 2 294.399 0.889 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](C)[NH2+]C[C@H]1CCOC1 ZINC001448789304 930985347 /nfs/dbraw/zinc/98/53/47/930985347.db2.gz RNNMMTSMJLUQKP-WCQYABFASA-N 2 2 294.399 0.734 20 0 CCADLP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2cnn(C)c2)C1)[NH+](C)C ZINC001376155268 931071285 /nfs/dbraw/zinc/07/12/85/931071285.db2.gz AODNPWRUJJKKMH-KBPBESRZSA-N 2 2 293.415 0.451 20 0 CCADLP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2cnn(C)c2)C1)[NH+](C)C ZINC001376155268 931071293 /nfs/dbraw/zinc/07/12/93/931071293.db2.gz AODNPWRUJJKKMH-KBPBESRZSA-N 2 2 293.415 0.451 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001376339750 931126212 /nfs/dbraw/zinc/12/62/12/931126212.db2.gz XUMNSGVBCLKSBC-RYUDHWBXSA-N 2 2 280.372 0.188 20 0 CCADLP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]Cc1cnon1 ZINC001376724472 931249327 /nfs/dbraw/zinc/24/93/27/931249327.db2.gz LKNRJZMROPMCQA-MFKMUULPSA-N 2 2 293.371 0.006 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ncccn1)[NH+](C)C ZINC001376805768 931283978 /nfs/dbraw/zinc/28/39/78/931283978.db2.gz AZEAAAJIAJTUGZ-NEPJUHHUSA-N 2 2 279.388 0.411 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CCc1ccns1 ZINC001376823847 931290216 /nfs/dbraw/zinc/29/02/16/931290216.db2.gz KOBOGADFQDOAIW-JTQLQIEISA-N 2 2 293.396 0.746 20 0 CCADLP CO[C@H](C[NH2+][C@H](C)CNC(=O)Cc1[nH]cc[nH+]1)C1CCC1 ZINC001376833606 931298508 /nfs/dbraw/zinc/29/85/08/931298508.db2.gz JWDPFUNTYRZFRP-DGCLKSJQSA-N 2 2 294.399 0.862 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@H]1CCC[C@H]([NH2+]CCO)C1 ZINC001376969348 931339911 /nfs/dbraw/zinc/33/99/11/931339911.db2.gz KXAKEMXSCQIBAA-STQMWFEESA-N 2 2 280.372 0.283 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N1CCOC2(C[NH+](CC3CC3)C2)C1 ZINC001377048362 931368171 /nfs/dbraw/zinc/36/81/71/931368171.db2.gz XBONUKWDWJWNSY-UHFFFAOYSA-N 2 2 295.427 0.650 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N1CCOC2(C[NH+](CC3CC3)C2)C1 ZINC001377048362 931368176 /nfs/dbraw/zinc/36/81/76/931368176.db2.gz XBONUKWDWJWNSY-UHFFFAOYSA-N 2 2 295.427 0.650 20 0 CCADLP CC[C@H](C(=O)NCC[N@H+](C)Cc1cnc(C)o1)[NH+](C)C ZINC001377185455 931421230 /nfs/dbraw/zinc/42/12/30/931421230.db2.gz WHZMJYRDZGMIAO-CYBMUJFWSA-N 2 2 282.388 0.871 20 0 CCADLP CC[C@H](C(=O)NCC[N@@H+](C)Cc1cnc(C)o1)[NH+](C)C ZINC001377185455 931421238 /nfs/dbraw/zinc/42/12/38/931421238.db2.gz WHZMJYRDZGMIAO-CYBMUJFWSA-N 2 2 282.388 0.871 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC(=O)[O-])CC2)CC[N@@H+]1C ZINC001589291734 953608561 /nfs/dbraw/zinc/60/85/61/953608561.db2.gz QZAYSGKEVKNPHV-YPMHNXCESA-N 2 2 269.389 0.608 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC(=O)[O-])CC2)CC[N@H+]1C ZINC001589291734 953608566 /nfs/dbraw/zinc/60/85/66/953608566.db2.gz QZAYSGKEVKNPHV-YPMHNXCESA-N 2 2 269.389 0.608 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[N@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000337440193 214082050 /nfs/dbraw/zinc/08/20/50/214082050.db2.gz CWBYCMFQDREQRG-ZDUSSCGKSA-N 2 2 299.415 0.424 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[N@@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000337440193 214082052 /nfs/dbraw/zinc/08/20/52/214082052.db2.gz CWBYCMFQDREQRG-ZDUSSCGKSA-N 2 2 299.415 0.424 20 0 CCADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[NH+]1CCC([NH3+])CC1 ZINC000092714246 349503420 /nfs/dbraw/zinc/50/34/20/349503420.db2.gz FGIFPLJGKMFSCH-CYBMUJFWSA-N 2 2 297.399 0.354 20 0 CCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000092954614 349514689 /nfs/dbraw/zinc/51/46/89/349514689.db2.gz IUJBECBVGOWFMO-ZFWWWQNUSA-N 2 2 288.395 0.724 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)C[C@@H](C)O1 ZINC000599604392 361757903 /nfs/dbraw/zinc/75/79/03/361757903.db2.gz KSSSERUICLDHQZ-YPMHNXCESA-N 2 2 281.356 0.615 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)C[C@@H](C)O1 ZINC000599604392 361757906 /nfs/dbraw/zinc/75/79/06/361757906.db2.gz KSSSERUICLDHQZ-YPMHNXCESA-N 2 2 281.356 0.615 20 0 CCADLP CCOC[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093174158 349529670 /nfs/dbraw/zinc/52/96/70/349529670.db2.gz DJHHPGNULYESAL-CQSZACIVSA-N 2 2 283.416 0.509 20 0 CCADLP CCOC[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093174158 349529673 /nfs/dbraw/zinc/52/96/73/349529673.db2.gz DJHHPGNULYESAL-CQSZACIVSA-N 2 2 283.416 0.509 20 0 CCADLP CS[C@@H]1CCCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093203353 349531035 /nfs/dbraw/zinc/53/10/35/349531035.db2.gz LIPNBLCHBBQSEX-CYBMUJFWSA-N 2 2 285.457 0.978 20 0 CCADLP CS[C@@H]1CCCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093203353 349531038 /nfs/dbraw/zinc/53/10/38/349531038.db2.gz LIPNBLCHBBQSEX-CYBMUJFWSA-N 2 2 285.457 0.978 20 0 CCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000083018433 178334312 /nfs/dbraw/zinc/33/43/12/178334312.db2.gz PHGYRMCWCZCSSM-ZDUSSCGKSA-N 2 2 279.388 0.866 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000083018433 178334314 /nfs/dbraw/zinc/33/43/14/178334314.db2.gz PHGYRMCWCZCSSM-ZDUSSCGKSA-N 2 2 279.388 0.866 20 0 CCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CCn1cc[nH+]c1 ZINC000617505254 365661212 /nfs/dbraw/zinc/66/12/12/365661212.db2.gz ZFJVNPUAPCEWPU-AWEZNQCLSA-N 3 2 295.431 0.661 20 0 CCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CCn1cc[nH+]c1 ZINC000617505254 365661217 /nfs/dbraw/zinc/66/12/17/365661217.db2.gz ZFJVNPUAPCEWPU-AWEZNQCLSA-N 3 2 295.431 0.661 20 0 CCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CCn1ccnc1 ZINC000617505254 365661223 /nfs/dbraw/zinc/66/12/23/365661223.db2.gz ZFJVNPUAPCEWPU-AWEZNQCLSA-N 2 2 295.431 0.661 20 0 CCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CCn1ccnc1 ZINC000617505254 365661226 /nfs/dbraw/zinc/66/12/26/365661226.db2.gz ZFJVNPUAPCEWPU-AWEZNQCLSA-N 2 2 295.431 0.661 20 0 CCADLP Cn1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000093821078 349553664 /nfs/dbraw/zinc/55/36/64/349553664.db2.gz VUZVHGRZVLIPED-HNNXBMFYSA-N 2 2 290.411 0.764 20 0 CCADLP Cn1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000093821078 349553670 /nfs/dbraw/zinc/55/36/70/349553670.db2.gz VUZVHGRZVLIPED-HNNXBMFYSA-N 2 2 290.411 0.764 20 0 CCADLP CCC[NH+]1CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000343767532 534924152 /nfs/dbraw/zinc/92/41/52/534924152.db2.gz JDQVWZNHPRZSMO-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000456367429 529388014 /nfs/dbraw/zinc/38/80/14/529388014.db2.gz DNTVKTLNFDGVBK-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000456367429 529388016 /nfs/dbraw/zinc/38/80/16/529388016.db2.gz DNTVKTLNFDGVBK-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@@H]1C[NH+](CC)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000456367429 529388017 /nfs/dbraw/zinc/38/80/17/529388017.db2.gz DNTVKTLNFDGVBK-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@@H]1C[NH+](CC)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000456367429 529388019 /nfs/dbraw/zinc/38/80/19/529388019.db2.gz DNTVKTLNFDGVBK-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@H](C)C[NH2+]C)CCO1 ZINC000418380952 529391939 /nfs/dbraw/zinc/39/19/39/529391939.db2.gz HYSYWOKEBVFMGA-CHWSQXEVSA-N 2 2 286.420 0.252 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@H](C)C[NH2+]C)CCO1 ZINC000418380952 529391941 /nfs/dbraw/zinc/39/19/41/529391941.db2.gz HYSYWOKEBVFMGA-CHWSQXEVSA-N 2 2 286.420 0.252 20 0 CCADLP C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC[NH+](CCC[NH3+])CC2)C1 ZINC000414684919 297223086 /nfs/dbraw/zinc/22/30/86/297223086.db2.gz XKPYWNXUSZYILD-HUUCEWRRSA-N 2 2 296.459 0.457 20 0 CCADLP C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(CCC[NH3+])CC2)C1 ZINC000414684919 297223091 /nfs/dbraw/zinc/22/30/91/297223091.db2.gz XKPYWNXUSZYILD-HUUCEWRRSA-N 2 2 296.459 0.457 20 0 CCADLP Cc1ncc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c(C)n1 ZINC000330876955 282165668 /nfs/dbraw/zinc/16/56/68/282165668.db2.gz KDFLMAGYRBNIOC-HZMBPMFUSA-N 2 2 264.373 0.811 20 0 CCADLP Cc1ncc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c(C)n1 ZINC000330876955 282165669 /nfs/dbraw/zinc/16/56/69/282165669.db2.gz KDFLMAGYRBNIOC-HZMBPMFUSA-N 2 2 264.373 0.811 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449660425 529417158 /nfs/dbraw/zinc/41/71/58/529417158.db2.gz XTLWAWHNWPUTBM-BBBLOLIVSA-N 2 2 263.332 0.721 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000413172595 529510521 /nfs/dbraw/zinc/51/05/21/529510521.db2.gz RCJCONHYLKUYSF-ZDUSSCGKSA-N 2 2 291.399 0.944 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000493778862 529550653 /nfs/dbraw/zinc/55/06/53/529550653.db2.gz NCHSSKXATKPENG-FSIBCCDJSA-N 2 2 284.310 0.982 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)NC[C@H](C)C[NH2+]C ZINC000493565472 529554375 /nfs/dbraw/zinc/55/43/75/529554375.db2.gz YEKSHRMMFHAFHC-MVIFTORASA-N 2 2 250.346 0.888 20 0 CCADLP COCC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000343246083 536796887 /nfs/dbraw/zinc/79/68/87/536796887.db2.gz MYALVKHZVGBVJV-BZUAXINKSA-N 3 2 299.459 0.701 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000343246083 536796889 /nfs/dbraw/zinc/79/68/89/536796889.db2.gz MYALVKHZVGBVJV-BZUAXINKSA-N 3 2 299.459 0.701 20 0 CCADLP CCC(CC)[C@@H](C(=O)NCC[NH3+])[NH+]1CCOCC1 ZINC000158696427 282223030 /nfs/dbraw/zinc/22/30/30/282223030.db2.gz ARWQSEZKMTWCCE-LBPRGKRZSA-N 2 2 257.378 0.198 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](C)CO1 ZINC000617723672 365729059 /nfs/dbraw/zinc/72/90/59/365729059.db2.gz PRWAJKITPWVZPD-YNEHKIRRSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](C)CO1 ZINC000617723672 365729062 /nfs/dbraw/zinc/72/90/62/365729062.db2.gz PRWAJKITPWVZPD-YNEHKIRRSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](C)CO1 ZINC000617723672 365729066 /nfs/dbraw/zinc/72/90/66/365729066.db2.gz PRWAJKITPWVZPD-YNEHKIRRSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](C)CO1 ZINC000617723672 365729069 /nfs/dbraw/zinc/72/90/69/365729069.db2.gz PRWAJKITPWVZPD-YNEHKIRRSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)CCc2[nH]cc[nH+]2)[C@@H](C)CO1 ZINC000617725512 365734452 /nfs/dbraw/zinc/73/44/52/365734452.db2.gz LGBIJECLZYHGOQ-NWDGAFQWSA-N 2 2 280.372 0.568 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)CCc2[nH]cc[nH+]2)[C@@H](C)CO1 ZINC000617725512 365734459 /nfs/dbraw/zinc/73/44/59/365734459.db2.gz LGBIJECLZYHGOQ-NWDGAFQWSA-N 2 2 280.372 0.568 20 0 CCADLP C[C@H](NC(=O)N1CCC[NH2+]CC1)[C@H](C)[NH+]1CCOCC1 ZINC000332004368 299091399 /nfs/dbraw/zinc/09/13/99/299091399.db2.gz OEZBXKMOLKUAPY-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)[NH+](C)C ZINC000617730171 365740673 /nfs/dbraw/zinc/74/06/73/365740673.db2.gz KAOVTCQLXSVDHI-MJBXVCDLSA-N 2 2 285.432 0.798 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)[NH+](C)C ZINC000617730171 365740678 /nfs/dbraw/zinc/74/06/78/365740678.db2.gz KAOVTCQLXSVDHI-MJBXVCDLSA-N 2 2 285.432 0.798 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)CO1 ZINC000617732584 365742686 /nfs/dbraw/zinc/74/26/86/365742686.db2.gz HDNJMGIEQGFFJT-UPJWGTAASA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)CO1 ZINC000617732584 365742692 /nfs/dbraw/zinc/74/26/92/365742692.db2.gz HDNJMGIEQGFFJT-UPJWGTAASA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](C)CO1 ZINC000617732584 365742702 /nfs/dbraw/zinc/74/27/02/365742702.db2.gz HDNJMGIEQGFFJT-UPJWGTAASA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@H+]2C)[C@H](C)CO1 ZINC000617732584 365742709 /nfs/dbraw/zinc/74/27/09/365742709.db2.gz HDNJMGIEQGFFJT-UPJWGTAASA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)CCCC[NH+](C)C)[C@@H](C)CO1 ZINC000617733848 365745059 /nfs/dbraw/zinc/74/50/59/365745059.db2.gz WRQLWVPBLUMVOI-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)CCCC[NH+](C)C)[C@@H](C)CO1 ZINC000617733848 365745064 /nfs/dbraw/zinc/74/50/64/365745064.db2.gz WRQLWVPBLUMVOI-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP C[C@H](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH+](C)C ZINC000617755695 365758667 /nfs/dbraw/zinc/75/86/67/365758667.db2.gz SQAMTVPBPUQNHS-VXGBXAGGSA-N 2 2 264.373 0.902 20 0 CCADLP C[C@@H](CCNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)[NH+](C)C ZINC000617760640 365763280 /nfs/dbraw/zinc/76/32/80/365763280.db2.gz CGIHGQHZHZPIGA-QWRGUYRKSA-N 2 2 264.373 0.971 20 0 CCADLP C[C@@H](CCNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)[NH+](C)C ZINC000617760640 365763289 /nfs/dbraw/zinc/76/32/89/365763289.db2.gz CGIHGQHZHZPIGA-QWRGUYRKSA-N 2 2 264.373 0.971 20 0 CCADLP Cn1cnc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000617766002 365770689 /nfs/dbraw/zinc/77/06/89/365770689.db2.gz YVCVZRUQWUXMJT-UHFFFAOYSA-N 2 2 267.377 0.033 20 0 CCADLP Cn1cnc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000617766002 365770694 /nfs/dbraw/zinc/77/06/94/365770694.db2.gz YVCVZRUQWUXMJT-UHFFFAOYSA-N 2 2 267.377 0.033 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000617764433 365769494 /nfs/dbraw/zinc/76/94/94/365769494.db2.gz XIURDWLPYGVLQK-HNNXBMFYSA-N 3 2 296.459 0.613 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000617764433 365769497 /nfs/dbraw/zinc/76/94/97/365769497.db2.gz XIURDWLPYGVLQK-HNNXBMFYSA-N 3 2 296.459 0.613 20 0 CCADLP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000617764433 365769501 /nfs/dbraw/zinc/76/95/01/365769501.db2.gz XIURDWLPYGVLQK-HNNXBMFYSA-N 3 2 296.459 0.613 20 0 CCADLP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000617764433 365769504 /nfs/dbraw/zinc/76/95/04/365769504.db2.gz XIURDWLPYGVLQK-HNNXBMFYSA-N 3 2 296.459 0.613 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)CCC[NH+](C)C ZINC000617767178 365773607 /nfs/dbraw/zinc/77/36/07/365773607.db2.gz JQHXHJSFBLDINW-OAHLLOKOSA-N 3 2 298.475 0.861 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)CCC[NH+](C)C ZINC000617767178 365773610 /nfs/dbraw/zinc/77/36/10/365773610.db2.gz JQHXHJSFBLDINW-OAHLLOKOSA-N 3 2 298.475 0.861 20 0 CCADLP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767178 365773611 /nfs/dbraw/zinc/77/36/11/365773611.db2.gz JQHXHJSFBLDINW-OAHLLOKOSA-N 3 2 298.475 0.861 20 0 CCADLP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767178 365773612 /nfs/dbraw/zinc/77/36/12/365773612.db2.gz JQHXHJSFBLDINW-OAHLLOKOSA-N 3 2 298.475 0.861 20 0 CCADLP CC[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)[NH+](C)C ZINC000617765731 365771119 /nfs/dbraw/zinc/77/11/19/365771119.db2.gz OCBCNRKQTXAHCB-CYBMUJFWSA-N 3 2 272.437 0.326 20 0 CCADLP CC[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)[NH+](C)C ZINC000617765731 365771122 /nfs/dbraw/zinc/77/11/22/365771122.db2.gz OCBCNRKQTXAHCB-CYBMUJFWSA-N 3 2 272.437 0.326 20 0 CCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000449702464 529779577 /nfs/dbraw/zinc/77/95/77/529779577.db2.gz UUNZODUWMKIPKQ-OAHLLOKOSA-N 2 2 299.378 0.506 20 0 CCADLP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000423860308 529782794 /nfs/dbraw/zinc/78/27/94/529782794.db2.gz AJMQEDIBTPXSIV-HUUCEWRRSA-N 2 2 295.427 0.555 20 0 CCADLP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000423860308 529782795 /nfs/dbraw/zinc/78/27/95/529782795.db2.gz AJMQEDIBTPXSIV-HUUCEWRRSA-N 2 2 295.427 0.555 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114199703 349824357 /nfs/dbraw/zinc/82/43/57/349824357.db2.gz AVRLUQWTQLYBMG-WDEREUQCSA-N 2 2 270.377 0.104 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114199703 349824361 /nfs/dbraw/zinc/82/43/61/349824361.db2.gz AVRLUQWTQLYBMG-WDEREUQCSA-N 2 2 270.377 0.104 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCc2cccnc2)C1 ZINC000114477382 349833233 /nfs/dbraw/zinc/83/32/33/349833233.db2.gz APPLYVJACBDKRZ-AWEZNQCLSA-N 2 2 276.384 0.581 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCc2cccnc2)C1 ZINC000114477382 349833238 /nfs/dbraw/zinc/83/32/38/349833238.db2.gz APPLYVJACBDKRZ-AWEZNQCLSA-N 2 2 276.384 0.581 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000358250185 529810465 /nfs/dbraw/zinc/81/04/65/529810465.db2.gz LBRFORVYALAAAF-MJBXVCDLSA-N 3 2 253.390 0.269 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000358250185 529810467 /nfs/dbraw/zinc/81/04/67/529810467.db2.gz LBRFORVYALAAAF-MJBXVCDLSA-N 3 2 253.390 0.269 20 0 CCADLP C[NH+]1CC[C@](O)(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000358250185 529810468 /nfs/dbraw/zinc/81/04/68/529810468.db2.gz LBRFORVYALAAAF-MJBXVCDLSA-N 3 2 253.390 0.269 20 0 CCADLP C[NH+]1CC[C@](O)(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000358250185 529810469 /nfs/dbraw/zinc/81/04/69/529810469.db2.gz LBRFORVYALAAAF-MJBXVCDLSA-N 3 2 253.390 0.269 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CC[C@@H](CO)C2)n1C ZINC000425375595 529811273 /nfs/dbraw/zinc/81/12/73/529811273.db2.gz ZZYJPSUAVKBVAJ-MNOVXSKESA-N 2 2 252.362 0.737 20 0 CCADLP CN(C)c1nccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)n1 ZINC000427145906 529812428 /nfs/dbraw/zinc/81/24/28/529812428.db2.gz UAXWZNVICZTDFG-YPMHNXCESA-N 2 2 261.373 0.726 20 0 CCADLP CN(C)c1nccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)n1 ZINC000427145906 529812430 /nfs/dbraw/zinc/81/24/30/529812430.db2.gz UAXWZNVICZTDFG-YPMHNXCESA-N 2 2 261.373 0.726 20 0 CCADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)C(C)(C)[NH3+])C1 ZINC000423933456 529815144 /nfs/dbraw/zinc/81/51/44/529815144.db2.gz VUJVOFSFLWORHY-LLVKDONJSA-N 2 2 292.383 0.865 20 0 CCADLP CN1C[C@@H](C[NH+]2CCC([N@H+](C)CCCO)CC2)OC1=O ZINC000495726482 529893626 /nfs/dbraw/zinc/89/36/26/529893626.db2.gz HIMHZBKRAXFJBB-ZDUSSCGKSA-N 2 2 285.388 0.216 20 0 CCADLP CN1C[C@@H](C[NH+]2CCC([N@@H+](C)CCCO)CC2)OC1=O ZINC000495726482 529893627 /nfs/dbraw/zinc/89/36/27/529893627.db2.gz HIMHZBKRAXFJBB-ZDUSSCGKSA-N 2 2 285.388 0.216 20 0 CCADLP CNC(=O)[C@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000492312118 529917432 /nfs/dbraw/zinc/91/74/32/529917432.db2.gz KLHNFEZSILHMAC-QMMMGPOBSA-N 2 2 256.375 0.429 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000423735812 529911203 /nfs/dbraw/zinc/91/12/03/529911203.db2.gz BEOCGEUBHDFHBX-ZFWWWQNUSA-N 2 2 283.416 0.685 20 0 CCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000573560259 334947119 /nfs/dbraw/zinc/94/71/19/334947119.db2.gz FTLVNJMJZPTIAO-AAEUAGOBSA-N 2 2 276.384 0.876 20 0 CCADLP C[C@H](C(=O)NCCC1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000338935182 214847391 /nfs/dbraw/zinc/84/73/91/214847391.db2.gz VMPZJSVGDWMTRG-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP C[N@@H+](CC(=O)N1CCOCC1)C[C@H]1CCC[NH+](C)C1 ZINC000118841655 282347221 /nfs/dbraw/zinc/34/72/21/282347221.db2.gz DJDVGXKZLVSPCS-ZDUSSCGKSA-N 2 2 269.389 0.119 20 0 CCADLP C[N@H+](CC(=O)N1CCOCC1)C[C@H]1CCC[NH+](C)C1 ZINC000118841655 282347222 /nfs/dbraw/zinc/34/72/22/282347222.db2.gz DJDVGXKZLVSPCS-ZDUSSCGKSA-N 2 2 269.389 0.119 20 0 CCADLP C[NH+](CC(=O)N1CCOCC1)C[C@H]1CCC[N@H+](C)C1 ZINC000118841655 282347223 /nfs/dbraw/zinc/34/72/23/282347223.db2.gz DJDVGXKZLVSPCS-ZDUSSCGKSA-N 2 2 269.389 0.119 20 0 CCADLP C[NH+](CC(=O)N1CCOCC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118841655 282347225 /nfs/dbraw/zinc/34/72/25/282347225.db2.gz DJDVGXKZLVSPCS-ZDUSSCGKSA-N 2 2 269.389 0.119 20 0 CCADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000449089522 530042354 /nfs/dbraw/zinc/04/23/54/530042354.db2.gz KXFZQYDTAKJGIU-OLZOCXBDSA-N 2 2 285.432 0.848 20 0 CCADLP C[N@@H+]1CCN(C(=O)/C=C/c2ccsc2)[C@H](C[NH3+])C1 ZINC000493609587 530066005 /nfs/dbraw/zinc/06/60/05/530066005.db2.gz DFECXUYRWXCIFX-QAVQXKDTSA-N 2 2 265.382 0.863 20 0 CCADLP C[N@H+]1CCN(C(=O)/C=C/c2ccsc2)[C@H](C[NH3+])C1 ZINC000493609587 530066006 /nfs/dbraw/zinc/06/60/06/530066006.db2.gz DFECXUYRWXCIFX-QAVQXKDTSA-N 2 2 265.382 0.863 20 0 CCADLP Cc1ccc(CCC[N@@H+]2CCn3c(CO)nnc3C2)c[nH+]1 ZINC000684360674 545654225 /nfs/dbraw/zinc/65/42/25/545654225.db2.gz DLZLLGDKTGVXFV-UHFFFAOYSA-N 2 2 287.367 0.922 20 0 CCADLP Cc1ccc(CCC[N@H+]2CCn3c(CO)nnc3C2)c[nH+]1 ZINC000684360674 545654232 /nfs/dbraw/zinc/65/42/32/545654232.db2.gz DLZLLGDKTGVXFV-UHFFFAOYSA-N 2 2 287.367 0.922 20 0 CCADLP COC(=O)c1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)[nH]c1C ZINC000602493748 362644013 /nfs/dbraw/zinc/64/40/13/362644013.db2.gz KPMIHVXXTCLKCS-QWRGUYRKSA-N 2 2 263.341 0.761 20 0 CCADLP CCOC(=O)c1cc(C[NH2+]CCC[NH+](C)C)on1 ZINC000602504907 362648129 /nfs/dbraw/zinc/64/81/29/362648129.db2.gz NLCURCLONJTFNC-UHFFFAOYSA-N 2 2 255.318 0.893 20 0 CCADLP C[C@H](C(=O)NCC[N@H+]1CC=CCC1)N1CC[NH+](C)CC1 ZINC000339203562 215010830 /nfs/dbraw/zinc/01/08/30/215010830.db2.gz WMGOAZDOUPMZDG-CQSZACIVSA-N 2 2 280.416 0.000 20 0 CCADLP C[C@H](C(=O)NCC[N@@H+]1CC=CCC1)N1CC[NH+](C)CC1 ZINC000339203562 215010832 /nfs/dbraw/zinc/01/08/32/215010832.db2.gz WMGOAZDOUPMZDG-CQSZACIVSA-N 2 2 280.416 0.000 20 0 CCADLP COC(=O)c1[nH]c(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1C ZINC000602547023 362671532 /nfs/dbraw/zinc/67/15/32/362671532.db2.gz WNGUMUXZOHGUKL-ZDUSSCGKSA-N 2 2 294.399 0.445 20 0 CCADLP COC(=O)c1[nH]c(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1C ZINC000602547023 362671538 /nfs/dbraw/zinc/67/15/38/362671538.db2.gz WNGUMUXZOHGUKL-ZDUSSCGKSA-N 2 2 294.399 0.445 20 0 CCADLP CC(C)OC[C@@H](O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000119745212 349950498 /nfs/dbraw/zinc/95/04/98/349950498.db2.gz SHFFTPCETASVTL-ZDUSSCGKSA-N 2 2 255.362 0.991 20 0 CCADLP CC(C)OC[C@@H](O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000119745212 349950501 /nfs/dbraw/zinc/95/05/01/349950501.db2.gz SHFFTPCETASVTL-ZDUSSCGKSA-N 2 2 255.362 0.991 20 0 CCADLP COC(=O)c1[nH]c(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1C ZINC000602614458 362715018 /nfs/dbraw/zinc/71/50/18/362715018.db2.gz ZKLJHMJQPRMWGJ-CQSZACIVSA-N 2 2 281.356 0.266 20 0 CCADLP COC(=O)c1[nH]c(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1C ZINC000602614458 362715020 /nfs/dbraw/zinc/71/50/20/362715020.db2.gz ZKLJHMJQPRMWGJ-CQSZACIVSA-N 2 2 281.356 0.266 20 0 CCADLP CCc1nocc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000339244472 215037859 /nfs/dbraw/zinc/03/78/59/215037859.db2.gz ATTNATPFQGEVSC-ZDUSSCGKSA-N 2 2 280.372 0.666 20 0 CCADLP CCc1nocc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000339244472 215037861 /nfs/dbraw/zinc/03/78/61/215037861.db2.gz ATTNATPFQGEVSC-ZDUSSCGKSA-N 2 2 280.372 0.666 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[S@](=O)CC1(C)C ZINC000602813103 362813869 /nfs/dbraw/zinc/81/38/69/362813869.db2.gz DWDUOMCIYGTSCH-KRWDZBQOSA-N 2 2 255.387 0.806 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CC[S@](=O)CC1(C)C ZINC000602813103 362813874 /nfs/dbraw/zinc/81/38/74/362813874.db2.gz DWDUOMCIYGTSCH-KRWDZBQOSA-N 2 2 255.387 0.806 20 0 CCADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3nnnn3-c3ccccc3)C[C@@H]12 ZINC000261690773 137015414 /nfs/dbraw/zinc/01/54/14/137015414.db2.gz NIGUFWKPNQKLKG-MRVWCRGKSA-N 2 2 284.367 0.831 20 0 CCADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3nnnn3-c3ccccc3)C[C@@H]12 ZINC000261690773 137015415 /nfs/dbraw/zinc/01/54/15/137015415.db2.gz NIGUFWKPNQKLKG-MRVWCRGKSA-N 2 2 284.367 0.831 20 0 CCADLP C[C@]1(C[NH3+])CC[N@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000261574874 137009635 /nfs/dbraw/zinc/00/96/35/137009635.db2.gz BGZLARULBPDPAA-CYBMUJFWSA-N 2 2 278.381 0.927 20 0 CCADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000261574874 137009636 /nfs/dbraw/zinc/00/96/36/137009636.db2.gz BGZLARULBPDPAA-CYBMUJFWSA-N 2 2 278.381 0.927 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261578312 137009669 /nfs/dbraw/zinc/00/96/69/137009669.db2.gz DCUVIXUSFLKTCS-CHWSQXEVSA-N 2 2 269.389 0.356 20 0 CCADLP CC1CCN(C(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000261579819 137009909 /nfs/dbraw/zinc/00/99/09/137009909.db2.gz FAUOUHMREGTOMX-ZIAGYGMSSA-N 2 2 265.401 0.786 20 0 CCADLP CC1CCN(C(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000261579819 137009910 /nfs/dbraw/zinc/00/99/10/137009910.db2.gz FAUOUHMREGTOMX-ZIAGYGMSSA-N 2 2 265.401 0.786 20 0 CCADLP [NH3+][C@@H](CC1CCCCC1)C(=O)NCC[NH+]1CCOCC1 ZINC000261660361 137014261 /nfs/dbraw/zinc/01/42/61/137014261.db2.gz FBEYFBXXFWTEFN-AWEZNQCLSA-N 2 2 283.416 0.733 20 0 CCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261713075 137016950 /nfs/dbraw/zinc/01/69/50/137016950.db2.gz PJDPOEIACZEMAG-HUUCEWRRSA-N 2 2 294.443 0.367 20 0 CCADLP C[C@@H]([NH3+])CC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000261858341 137022829 /nfs/dbraw/zinc/02/28/29/137022829.db2.gz PKYXMEQGSIQILI-UKRRQHHQSA-N 2 2 291.395 0.913 20 0 CCADLP CCOC[C@H]1CCC[N@H+](Cc2noc(C[NH3+])n2)C1 ZINC000261892002 137024512 /nfs/dbraw/zinc/02/45/12/137024512.db2.gz ZTHJEWSSPBXZLP-JTQLQIEISA-N 2 2 254.334 0.777 20 0 CCADLP CCOC[C@H]1CCC[N@@H+](Cc2noc(C[NH3+])n2)C1 ZINC000261892002 137024513 /nfs/dbraw/zinc/02/45/13/137024513.db2.gz ZTHJEWSSPBXZLP-JTQLQIEISA-N 2 2 254.334 0.777 20 0 CCADLP C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000261918548 137025924 /nfs/dbraw/zinc/02/59/24/137025924.db2.gz KEZIMLGQBVRXMX-JHJVBQTASA-N 2 2 251.374 0.539 20 0 CCADLP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000261918548 137025925 /nfs/dbraw/zinc/02/59/25/137025925.db2.gz KEZIMLGQBVRXMX-JHJVBQTASA-N 2 2 251.374 0.539 20 0 CCADLP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000263142419 137059241 /nfs/dbraw/zinc/05/92/41/137059241.db2.gz CLPAXSLKMUDLNR-NWDGAFQWSA-N 2 2 287.354 0.928 20 0 CCADLP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000311040134 137073620 /nfs/dbraw/zinc/07/36/20/137073620.db2.gz OVRGIWQBVWPJKW-RWMBFGLXSA-N 2 2 253.390 0.833 20 0 CCADLP CCCCNC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000311040134 137073621 /nfs/dbraw/zinc/07/36/21/137073621.db2.gz OVRGIWQBVWPJKW-RWMBFGLXSA-N 2 2 253.390 0.833 20 0 CCADLP [NH3+][C@H](CC(F)F)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000312587237 137077501 /nfs/dbraw/zinc/07/75/01/137077501.db2.gz DELLMMSZUVTRBV-SNVBAGLBSA-N 2 2 284.310 0.713 20 0 CCADLP [NH3+]CC[N@H+](CCO)CCC(=O)NCc1ccccc1Cl ZINC000342402857 137091660 /nfs/dbraw/zinc/09/16/60/137091660.db2.gz RITBYEYJCPKRQV-UHFFFAOYSA-N 2 2 299.802 0.599 20 0 CCADLP [NH3+]CC[N@@H+](CCO)CCC(=O)NCc1ccccc1Cl ZINC000342402857 137091661 /nfs/dbraw/zinc/09/16/61/137091661.db2.gz RITBYEYJCPKRQV-UHFFFAOYSA-N 2 2 299.802 0.599 20 0 CCADLP C[NH+](C)CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000343270163 137123602 /nfs/dbraw/zinc/12/36/02/137123602.db2.gz PFOAMAHXVNZSSW-MJBXVCDLSA-N 3 2 255.406 0.685 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH+](C)C ZINC000343179410 137119735 /nfs/dbraw/zinc/11/97/35/137119735.db2.gz ZLJYSOAUOSXDIJ-MNOVXSKESA-N 2 2 250.346 0.512 20 0 CCADLP COC(=O)C[N@H+](CCN1CC[NH+](C)CC1)CC(C)C ZINC000343596767 137144719 /nfs/dbraw/zinc/14/47/19/137144719.db2.gz DAUXMPSNFXSFCW-UHFFFAOYSA-N 2 2 271.405 0.365 20 0 CCADLP COC(=O)C[N@@H+](CCN1CC[NH+](C)CC1)CC(C)C ZINC000343596767 137144720 /nfs/dbraw/zinc/14/47/20/137144720.db2.gz DAUXMPSNFXSFCW-UHFFFAOYSA-N 2 2 271.405 0.365 20 0 CCADLP C[C@H]1CN(C)C[C@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000343669812 137148054 /nfs/dbraw/zinc/14/80/54/137148054.db2.gz RHKYQPXDKBNVLP-GXTWGEPZSA-N 2 2 255.406 0.373 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1cccnc1N1CCOCC1 ZINC000343292331 137125176 /nfs/dbraw/zinc/12/51/76/137125176.db2.gz TUBPCYIFOFKQTD-HIFRSBDPSA-N 2 2 290.411 0.958 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000344282815 137186947 /nfs/dbraw/zinc/18/69/47/137186947.db2.gz MVRFELJUWNBGBT-HRCADAONSA-N 3 2 282.476 0.800 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000344282815 137186948 /nfs/dbraw/zinc/18/69/48/137186948.db2.gz MVRFELJUWNBGBT-HRCADAONSA-N 3 2 282.476 0.800 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000344256981 137186334 /nfs/dbraw/zinc/18/63/34/137186334.db2.gz HBIAFNJTYULXTE-ZNMIVQPWSA-N 3 2 268.449 0.552 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000344256981 137186335 /nfs/dbraw/zinc/18/63/35/137186335.db2.gz HBIAFNJTYULXTE-ZNMIVQPWSA-N 3 2 268.449 0.552 20 0 CCADLP COC[C@@H](C(N)=O)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000339365138 215123199 /nfs/dbraw/zinc/12/31/99/215123199.db2.gz WFEAZBPOUVSBCY-AWEZNQCLSA-N 2 2 288.351 0.804 20 0 CCADLP COC[C@@H](C(N)=O)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000339365138 215123201 /nfs/dbraw/zinc/12/32/01/215123201.db2.gz WFEAZBPOUVSBCY-AWEZNQCLSA-N 2 2 288.351 0.804 20 0 CCADLP [NH3+]C1(C(=O)NCC[NH+]2CCOCC2)CCCCC1 ZINC000019511355 348063474 /nfs/dbraw/zinc/06/34/74/348063474.db2.gz BORJEOXYSUJTPP-UHFFFAOYSA-N 2 2 255.362 0.096 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000344631182 137204752 /nfs/dbraw/zinc/20/47/52/137204752.db2.gz OVJGPXWLNBKLLT-IPYPFGDCSA-N 2 2 277.416 0.929 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000344631182 137204753 /nfs/dbraw/zinc/20/47/53/137204753.db2.gz OVJGPXWLNBKLLT-IPYPFGDCSA-N 2 2 277.416 0.929 20 0 CCADLP C[NH2+]CCCC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000040856534 348245044 /nfs/dbraw/zinc/24/50/44/348245044.db2.gz HFUHHRCOEKRQTD-UHFFFAOYSA-N 2 2 292.383 0.534 20 0 CCADLP COCCN1CC[C@H]([NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)C1 ZINC000346346252 137280499 /nfs/dbraw/zinc/28/04/99/137280499.db2.gz XDFQDUCJLOXUMN-MELADBBJSA-N 2 2 255.406 0.779 20 0 CCADLP COCCN1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)C1 ZINC000346346252 137280500 /nfs/dbraw/zinc/28/05/00/137280500.db2.gz XDFQDUCJLOXUMN-MELADBBJSA-N 2 2 255.406 0.779 20 0 CCADLP C[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)C[C@@H]1CCCO1 ZINC000043402159 348308108 /nfs/dbraw/zinc/30/81/08/348308108.db2.gz LJWAXMCMYNSIAA-VIFPVBQESA-N 2 2 254.334 0.874 20 0 CCADLP C[N@H+](Cc1nc(C(C)(C)[NH3+])no1)C[C@@H]1CCCO1 ZINC000043402159 348308111 /nfs/dbraw/zinc/30/81/11/348308111.db2.gz LJWAXMCMYNSIAA-VIFPVBQESA-N 2 2 254.334 0.874 20 0 CCADLP C[N@H+](C[C@H](O)CC(F)(F)F)C1CC[NH+](CCO)CC1 ZINC000346233887 137274171 /nfs/dbraw/zinc/27/41/71/137274171.db2.gz CQJUZEISMRKSQZ-LLVKDONJSA-N 2 2 284.322 0.688 20 0 CCADLP C[N@@H+](C[C@H](O)CC(F)(F)F)C1CC[NH+](CCO)CC1 ZINC000346233887 137274172 /nfs/dbraw/zinc/27/41/72/137274172.db2.gz CQJUZEISMRKSQZ-LLVKDONJSA-N 2 2 284.322 0.688 20 0 CCADLP CC(C)([NH3+])C[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000045174360 348334166 /nfs/dbraw/zinc/33/41/66/348334166.db2.gz RFIBTSSGBFGWFM-UHFFFAOYSA-N 2 2 256.371 0.917 20 0 CCADLP CO[C@H]1CC[N@H+](Cc2ccc3c(c2)nnn3C)[C@H](C[NH3+])C1 ZINC000346840805 137307762 /nfs/dbraw/zinc/30/77/62/137307762.db2.gz USMUVRBUMWTDSX-STQMWFEESA-N 2 2 289.383 0.906 20 0 CCADLP CO[C@H]1CC[N@@H+](Cc2ccc3c(c2)nnn3C)[C@H](C[NH3+])C1 ZINC000346840805 137307763 /nfs/dbraw/zinc/30/77/63/137307763.db2.gz USMUVRBUMWTDSX-STQMWFEESA-N 2 2 289.383 0.906 20 0 CCADLP COCC[NH+]1CCN(C(=O)Nc2cc(C)[nH+]cc2C)CC1 ZINC000536620034 290859191 /nfs/dbraw/zinc/85/91/91/290859191.db2.gz PXRGLLWUOJIAJO-UHFFFAOYSA-N 2 2 292.383 0.916 20 0 CCADLP [NH3+]CCCC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000347484740 137339000 /nfs/dbraw/zinc/33/90/00/137339000.db2.gz XBBQAOWKMCEUOX-UHFFFAOYSA-N 2 2 278.356 0.273 20 0 CCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccon1 ZINC000349246018 137390678 /nfs/dbraw/zinc/39/06/78/137390678.db2.gz SHCDFJZNVDXTNS-JTQLQIEISA-N 2 2 252.318 0.099 20 0 CCADLP COc1cc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)ccn1 ZINC000347533684 137341526 /nfs/dbraw/zinc/34/15/26/137341526.db2.gz FHTHNFSNHLDSGD-GFCCVEGCSA-N 2 2 292.383 0.515 20 0 CCADLP O[C@H](C[NH2+]CCn1cc[nH+]c1)COCc1ccco1 ZINC000049077190 348438950 /nfs/dbraw/zinc/43/89/50/348438950.db2.gz LBFSICLZGYSENT-GFCCVEGCSA-N 2 2 265.313 0.643 20 0 CCADLP COCCn1cc(C[NH2+][C@@H](C)CC[NH+]2CCOCC2)cn1 ZINC000347774642 137356037 /nfs/dbraw/zinc/35/60/37/137356037.db2.gz JRDVQXOPBYZMJP-AWEZNQCLSA-N 2 2 296.415 0.730 20 0 CCADLP C[C@H](NC(=O)CCn1cc[nH+]c1)[C@@H]1CCC[NH2+]C1 ZINC000050162622 348469094 /nfs/dbraw/zinc/46/90/94/348469094.db2.gz BDOZVTWUEGDOST-NWDGAFQWSA-N 2 2 250.346 0.778 20 0 CCADLP CO[C@H](C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050796881 348479137 /nfs/dbraw/zinc/47/91/37/348479137.db2.gz JXXAMQSXSGLODE-GFCCVEGCSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H](C[NH3+])C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000054338379 348551494 /nfs/dbraw/zinc/55/14/94/348551494.db2.gz ODWBLAJPUIMPMW-LLVKDONJSA-N 2 2 262.357 0.761 20 0 CCADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@H]1CC[NH2+]C1 ZINC000062113292 348664279 /nfs/dbraw/zinc/66/42/79/348664279.db2.gz FUUSMSVXQMDVME-LBPRGKRZSA-N 2 2 274.368 0.776 20 0 CCADLP O=C([C@@H]1CC[NH2+]C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000062114657 348664874 /nfs/dbraw/zinc/66/48/74/348664874.db2.gz VQYVQXFCWDQLPP-CYBMUJFWSA-N 2 2 274.368 0.335 20 0 CCADLP CC(C)(CNC(=O)[C@]1(C)CC[NH2+]C1)[NH+]1CCOCC1 ZINC000062899305 348672083 /nfs/dbraw/zinc/67/20/83/348672083.db2.gz PVVFUHNUCOZUHO-CQSZACIVSA-N 2 2 269.389 0.213 20 0 CCADLP NC(=O)NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063190103 348682784 /nfs/dbraw/zinc/68/27/84/348682784.db2.gz SDUGPXPAMVEXEG-WDEREUQCSA-N 2 2 268.361 0.178 20 0 CCADLP NC(=O)NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063190103 348682786 /nfs/dbraw/zinc/68/27/86/348682786.db2.gz SDUGPXPAMVEXEG-WDEREUQCSA-N 2 2 268.361 0.178 20 0 CCADLP CC1(C)COCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000064517692 348701736 /nfs/dbraw/zinc/70/17/36/348701736.db2.gz CMGZSMXCUJNHNZ-UHFFFAOYSA-N 2 2 295.427 0.840 20 0 CCADLP CC1(C)COCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000064517692 348701739 /nfs/dbraw/zinc/70/17/39/348701739.db2.gz CMGZSMXCUJNHNZ-UHFFFAOYSA-N 2 2 295.427 0.840 20 0 CCADLP CN(C)c1ncc(C[NH2+]C2CC[NH+](C)CC2)n1C ZINC000070142994 348873153 /nfs/dbraw/zinc/87/31/53/348873153.db2.gz BLZTWXKJSOYYIR-UHFFFAOYSA-N 2 2 251.378 0.670 20 0 CCADLP C[C@@H]([NH3+])CCC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000070318099 348885435 /nfs/dbraw/zinc/88/54/35/348885435.db2.gz LAVFOKKUCULVEC-VXGBXAGGSA-N 2 2 255.362 0.047 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1csnn1 ZINC000076485869 349084781 /nfs/dbraw/zinc/08/47/81/349084781.db2.gz PKGCIEXSQICGHG-UHFFFAOYSA-N 2 2 297.428 0.636 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1csnn1 ZINC000076485869 349084783 /nfs/dbraw/zinc/08/47/83/349084783.db2.gz PKGCIEXSQICGHG-UHFFFAOYSA-N 2 2 297.428 0.636 20 0 CCADLP Cc1nc(NC[C@](C)(O)C[NH+]2CCOCC2)cc[nH+]1 ZINC000078343509 349135368 /nfs/dbraw/zinc/13/53/68/349135368.db2.gz SAQYCQPTDGMZJO-ZDUSSCGKSA-N 2 2 266.345 0.280 20 0 CCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000082256012 349292885 /nfs/dbraw/zinc/29/28/85/349292885.db2.gz GKHGDADMSNFYOQ-NWDGAFQWSA-N 2 2 262.357 0.634 20 0 CCADLP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000089106566 349374884 /nfs/dbraw/zinc/37/48/84/349374884.db2.gz PITIXJCADXNBJY-NEPJUHHUSA-N 2 2 250.346 0.907 20 0 CCADLP OCC1(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)COC1 ZINC000089129222 349375653 /nfs/dbraw/zinc/37/56/53/349375653.db2.gz PSFKIHONPBAJOV-NSHDSACASA-N 2 2 251.330 0.598 20 0 CCADLP OCC1(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)COC1 ZINC000089129222 349375654 /nfs/dbraw/zinc/37/56/54/349375654.db2.gz PSFKIHONPBAJOV-NSHDSACASA-N 2 2 251.330 0.598 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)CC1 ZINC000120760808 350004109 /nfs/dbraw/zinc/00/41/09/350004109.db2.gz MWKIOUFUBWUWTK-ZDUSSCGKSA-N 2 2 291.399 0.363 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)CC1 ZINC000120760808 350004113 /nfs/dbraw/zinc/00/41/13/350004113.db2.gz MWKIOUFUBWUWTK-ZDUSSCGKSA-N 2 2 291.399 0.363 20 0 CCADLP COc1ccc(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000120769914 350005256 /nfs/dbraw/zinc/00/52/56/350005256.db2.gz FSQLNDLCLRCWCU-CYBMUJFWSA-N 2 2 277.368 0.339 20 0 CCADLP COc1ccc(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000120769914 350005259 /nfs/dbraw/zinc/00/52/59/350005259.db2.gz FSQLNDLCLRCWCU-CYBMUJFWSA-N 2 2 277.368 0.339 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)CN1CC[NH+](C)CC1 ZINC000120804675 350007167 /nfs/dbraw/zinc/00/71/67/350007167.db2.gz XOHLRBIKCBTZCM-BZUAXINKSA-N 3 2 282.476 0.942 20 0 CCADLP [NH3+]CCc1nc(C(=O)NCCn2cc[nH+]c2)cs1 ZINC000090952473 180073643 /nfs/dbraw/zinc/07/36/43/180073643.db2.gz WCILEABVTHPZTN-UHFFFAOYSA-N 2 2 265.342 0.271 20 0 CCADLP C[C@@H](C(=O)NCCC[NH+]1CCC(C)CC1)[NH+]1CCOCC1 ZINC000339699688 215302996 /nfs/dbraw/zinc/30/29/96/215302996.db2.gz DFECFSOFGJFHFX-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@]2(C)CCCO2)CC1 ZINC000126972905 350158440 /nfs/dbraw/zinc/15/84/40/350158440.db2.gz GTZHAZARCNDYTJ-OAHLLOKOSA-N 2 2 283.416 0.698 20 0 CCADLP Cc1nc(N2CC[NH+]([C@H]3CCCCNC3=O)CC2)cc[nH+]1 ZINC000128730368 350197252 /nfs/dbraw/zinc/19/72/52/350197252.db2.gz QPWBPICELGESTH-ZDUSSCGKSA-N 2 2 289.383 0.576 20 0 CCADLP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)NC(C)(C)C)C2)C1 ZINC000336125646 290250882 /nfs/dbraw/zinc/25/08/82/290250882.db2.gz MDIQVKIHTFSHHV-AWEZNQCLSA-N 2 2 253.390 0.929 20 0 CCADLP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)NC(C)(C)C)C2)C1 ZINC000336125646 290250884 /nfs/dbraw/zinc/25/08/84/290250884.db2.gz MDIQVKIHTFSHHV-AWEZNQCLSA-N 2 2 253.390 0.929 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)NC(C)(C)C)C2)C1 ZINC000336125646 290250885 /nfs/dbraw/zinc/25/08/85/290250885.db2.gz MDIQVKIHTFSHHV-AWEZNQCLSA-N 2 2 253.390 0.929 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)NC(C)(C)C)C2)C1 ZINC000336125646 290250887 /nfs/dbraw/zinc/25/08/87/290250887.db2.gz MDIQVKIHTFSHHV-AWEZNQCLSA-N 2 2 253.390 0.929 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N2CCNC2=O)C[C@@H]1n1cc[nH+]c1 ZINC000129591895 350217973 /nfs/dbraw/zinc/21/79/73/350217973.db2.gz OLZYLUXMRPKFBZ-RYUDHWBXSA-N 2 2 291.355 0.318 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N2CCNC2=O)C[C@@H]1n1cc[nH+]c1 ZINC000129591895 350217975 /nfs/dbraw/zinc/21/79/75/350217975.db2.gz OLZYLUXMRPKFBZ-RYUDHWBXSA-N 2 2 291.355 0.318 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000105130145 186043357 /nfs/dbraw/zinc/04/33/57/186043357.db2.gz OGIPGEXUJPAXMS-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP COC(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129342341 350211307 /nfs/dbraw/zinc/21/13/07/350211307.db2.gz VFKWYYQHNASSPW-GFCCVEGCSA-N 2 2 256.346 0.204 20 0 CCADLP COC(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129342341 350211308 /nfs/dbraw/zinc/21/13/08/350211308.db2.gz VFKWYYQHNASSPW-GFCCVEGCSA-N 2 2 256.346 0.204 20 0 CCADLP Cc1cc(NC(=O)C[N@H+](C)CCCn2cc[nH+]c2)n(C)n1 ZINC000130385818 350236097 /nfs/dbraw/zinc/23/60/97/350236097.db2.gz MNXFNOPCFKXUGY-UHFFFAOYSA-N 2 2 290.371 0.886 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+](C)CCCn2cc[nH+]c2)n(C)n1 ZINC000130385818 350236098 /nfs/dbraw/zinc/23/60/98/350236098.db2.gz MNXFNOPCFKXUGY-UHFFFAOYSA-N 2 2 290.371 0.886 20 0 CCADLP CSCC[C@@H]([NH3+])C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000130834391 350251098 /nfs/dbraw/zinc/25/10/98/350251098.db2.gz GCZQQZRPFHBGSZ-VHSXEESVSA-N 2 2 256.375 0.468 20 0 CCADLP CC[NH2+]CC1CC[NH+](Cc2nnnn2C2CC2)CC1 ZINC000131580037 350279672 /nfs/dbraw/zinc/27/96/72/350279672.db2.gz ZDPBJAQGBCRSDV-UHFFFAOYSA-N 2 2 264.377 0.830 20 0 CCADLP COC(=O)c1sccc1NC(=O)C[N@H+](C)CCC[NH3+] ZINC000133802394 350345805 /nfs/dbraw/zinc/34/58/05/350345805.db2.gz WNIVBERKISCBFP-UHFFFAOYSA-N 2 2 285.369 0.754 20 0 CCADLP COC(=O)c1sccc1NC(=O)C[N@@H+](C)CCC[NH3+] ZINC000133802394 350345806 /nfs/dbraw/zinc/34/58/06/350345806.db2.gz WNIVBERKISCBFP-UHFFFAOYSA-N 2 2 285.369 0.754 20 0 CCADLP C[NH+](C)CCNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000133350807 350332707 /nfs/dbraw/zinc/33/27/07/350332707.db2.gz SQZABTYGRAIHEB-UHFFFAOYSA-N 2 2 261.329 0.695 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000136200183 350417810 /nfs/dbraw/zinc/41/78/10/350417810.db2.gz QOFCONKMEAMTIY-GXTWGEPZSA-N 2 2 269.389 0.356 20 0 CCADLP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000136662640 350425796 /nfs/dbraw/zinc/42/57/96/350425796.db2.gz BXSYYMJAIPOZNU-CABCVRRESA-N 2 2 297.443 0.944 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139819942 350449057 /nfs/dbraw/zinc/44/90/57/350449057.db2.gz GDQVPSGIELKYDK-YNEHKIRRSA-N 2 2 296.415 0.637 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139819942 350449063 /nfs/dbraw/zinc/44/90/63/350449063.db2.gz GDQVPSGIELKYDK-YNEHKIRRSA-N 2 2 296.415 0.637 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139819942 350449068 /nfs/dbraw/zinc/44/90/68/350449068.db2.gz GDQVPSGIELKYDK-YNEHKIRRSA-N 2 2 296.415 0.637 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139819942 350449074 /nfs/dbraw/zinc/44/90/74/350449074.db2.gz GDQVPSGIELKYDK-YNEHKIRRSA-N 2 2 296.415 0.637 20 0 CCADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(-n2cncn2)cc1 ZINC000154382478 350586849 /nfs/dbraw/zinc/58/68/49/350586849.db2.gz LMRYASJQEFJOPY-WFASDCNBSA-N 2 2 289.383 0.840 20 0 CCADLP Cc1noc(C)c1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000109463978 186254166 /nfs/dbraw/zinc/25/41/66/186254166.db2.gz KTTXLHOARPRWFQ-GFCCVEGCSA-N 2 2 253.346 0.838 20 0 CCADLP Cc1ccc(OCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c(C)c1 ZINC000162519676 350744584 /nfs/dbraw/zinc/74/45/84/350744584.db2.gz DQMCBJMIIXWYDS-CQSZACIVSA-N 2 2 291.395 0.784 20 0 CCADLP Cc1ccc(OCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c(C)c1 ZINC000162519676 350744587 /nfs/dbraw/zinc/74/45/87/350744587.db2.gz DQMCBJMIIXWYDS-CQSZACIVSA-N 2 2 291.395 0.784 20 0 CCADLP CC[C@H]([NH3+])C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000167965784 350817377 /nfs/dbraw/zinc/81/73/77/350817377.db2.gz JCXNAOKRQTXJCT-LSDHHAIUSA-N 2 2 291.395 0.602 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)[C@@H](C)[NH+]1CCOCC1 ZINC000167684449 350813062 /nfs/dbraw/zinc/81/30/62/350813062.db2.gz IOPBEKWBUFEMJM-JHJVBQTASA-N 2 2 269.389 0.211 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170829605 350865900 /nfs/dbraw/zinc/86/59/00/350865900.db2.gz JHNPXJAKPJMSFM-CYBMUJFWSA-N 2 2 291.399 0.993 20 0 CCADLP CC(C)C[C@@H](CNC(=O)C[NH+](C)C)[NH+]1CCOCC1 ZINC000171360720 350903740 /nfs/dbraw/zinc/90/37/40/350903740.db2.gz FHSOOXFUTLMZMC-ZDUSSCGKSA-N 2 2 271.405 0.411 20 0 CCADLP CC[NH+](CC)CCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000339777298 215337072 /nfs/dbraw/zinc/33/70/72/215337072.db2.gz SPEJXNKAIRMBSN-GFCCVEGCSA-N 2 2 257.378 0.165 20 0 CCADLP O[C@@H](CN1CCOCC1)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000176913526 351188305 /nfs/dbraw/zinc/18/83/05/351188305.db2.gz CEOVWDJPQCJERJ-OAHLLOKOSA-N 2 2 294.399 0.213 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)c1csc(CC[NH3+])n1 ZINC000090954487 282744273 /nfs/dbraw/zinc/74/42/73/282744273.db2.gz IHVZALTXZBZISV-UHFFFAOYSA-N 2 2 265.342 0.308 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000178860697 351249515 /nfs/dbraw/zinc/24/95/15/351249515.db2.gz ZKHNFNCNIZLMJO-HZSPNIEDSA-N 2 2 281.400 0.308 20 0 CCADLP CCC(CC)C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000178930035 351253725 /nfs/dbraw/zinc/25/37/25/351253725.db2.gz CBJGSAPJBMLBRH-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CCOC2)CC1 ZINC000177150337 351196514 /nfs/dbraw/zinc/19/65/14/351196514.db2.gz UCBXRLOLSQZVEJ-LBPRGKRZSA-N 2 2 269.389 0.165 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC(=O)NC(N)=O ZINC000177334655 351201146 /nfs/dbraw/zinc/20/11/46/351201146.db2.gz KDJKMLDRIQQWOJ-NEPJUHHUSA-N 2 2 282.388 0.520 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC(=O)NC(N)=O ZINC000177334655 351201147 /nfs/dbraw/zinc/20/11/47/351201147.db2.gz KDJKMLDRIQQWOJ-NEPJUHHUSA-N 2 2 282.388 0.520 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCC(=O)NC(N)=O ZINC000177334655 351201148 /nfs/dbraw/zinc/20/11/48/351201148.db2.gz KDJKMLDRIQQWOJ-NEPJUHHUSA-N 2 2 282.388 0.520 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC(=O)NC(N)=O ZINC000177334655 351201149 /nfs/dbraw/zinc/20/11/49/351201149.db2.gz KDJKMLDRIQQWOJ-NEPJUHHUSA-N 2 2 282.388 0.520 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)NCCC[NH+]1CCCC1 ZINC000339794184 215342666 /nfs/dbraw/zinc/34/26/66/215342666.db2.gz AGJDTBHOAJDMFG-UHFFFAOYSA-N 2 2 298.431 0.446 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(Cc2cccc3[nH+]ccn32)CC1 ZINC000188731398 351622400 /nfs/dbraw/zinc/62/24/00/351622400.db2.gz OXGCFXMLUADAOW-CYBMUJFWSA-N 2 2 274.368 0.833 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000342788344 297261890 /nfs/dbraw/zinc/26/18/90/297261890.db2.gz YZNNZOVHTRWBRD-MCIONIFRSA-N 2 2 281.400 0.402 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000195121642 351897592 /nfs/dbraw/zinc/89/75/92/351897592.db2.gz GRYZNKOQNAJHDG-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP C[N@H+]1CCC[C@@H]1CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000195121642 351897594 /nfs/dbraw/zinc/89/75/94/351897594.db2.gz GRYZNKOQNAJHDG-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP O=C(NCCc1cn2ccccc2[nH+]1)[C@H]1CCC[NH2+]C1 ZINC000195144832 351898767 /nfs/dbraw/zinc/89/87/67/351898767.db2.gz PTXXFVVTPCFSPG-LBPRGKRZSA-N 2 2 272.352 0.993 20 0 CCADLP C[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000195161804 351899738 /nfs/dbraw/zinc/89/97/38/351899738.db2.gz APTDEJMGTPYAJO-JSGCOSHPSA-N 2 2 277.368 0.523 20 0 CCADLP C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000655411889 412561075 /nfs/dbraw/zinc/56/10/75/412561075.db2.gz ZCUCXGPCWJRYMV-STQMWFEESA-N 2 2 276.384 0.904 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225890770 352017680 /nfs/dbraw/zinc/01/76/80/352017680.db2.gz YVQRYUWHYTVSLZ-TUAOUCFPSA-N 2 2 282.388 0.295 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225890770 352017684 /nfs/dbraw/zinc/01/76/84/352017684.db2.gz YVQRYUWHYTVSLZ-TUAOUCFPSA-N 2 2 282.388 0.295 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000226677543 352031093 /nfs/dbraw/zinc/03/10/93/352031093.db2.gz OBSAGELUQIAOTE-QWRGUYRKSA-N 2 2 270.377 0.152 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000226677543 352031097 /nfs/dbraw/zinc/03/10/97/352031097.db2.gz OBSAGELUQIAOTE-QWRGUYRKSA-N 2 2 270.377 0.152 20 0 CCADLP Cc1nn(C)c(Cl)c1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000228726532 352083137 /nfs/dbraw/zinc/08/31/37/352083137.db2.gz OTGAKLYBRZPKKG-LBPRGKRZSA-N 2 2 274.796 0.784 20 0 CCADLP CN(C)C(=O)C[NH+]1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000230393269 352114759 /nfs/dbraw/zinc/11/47/59/352114759.db2.gz QUAWSZQKEQSIJM-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000603434906 363132573 /nfs/dbraw/zinc/13/25/73/363132573.db2.gz UPUJAQMOYKWHNI-WOPDTQHZSA-N 2 2 258.337 0.962 20 0 CCADLP COC(=O)[C@@H]1C[C@H](F)C[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000603434906 363132576 /nfs/dbraw/zinc/13/25/76/363132576.db2.gz UPUJAQMOYKWHNI-WOPDTQHZSA-N 2 2 258.337 0.962 20 0 CCADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000236953724 352231133 /nfs/dbraw/zinc/23/11/33/352231133.db2.gz OOZYBHHQLGLERC-TZMCWYRMSA-N 2 2 293.415 0.438 20 0 CCADLP C[C@@H]([NH3+])C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000237461588 352266182 /nfs/dbraw/zinc/26/61/82/352266182.db2.gz DTCGDOUPALOFIX-GFCCVEGCSA-N 2 2 272.352 0.937 20 0 CCADLP Cc1[nH+]ccn1CCCCNC(=O)NCC(F)(F)C[NH3+] ZINC000417744824 234000554 /nfs/dbraw/zinc/00/05/54/234000554.db2.gz YVMBKQBMVCSWMV-UHFFFAOYSA-N 2 2 289.330 0.865 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246188859 352352770 /nfs/dbraw/zinc/35/27/70/352352770.db2.gz SYZQIUYECZBWFE-RYUDHWBXSA-N 2 2 296.415 0.637 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246188859 352352775 /nfs/dbraw/zinc/35/27/75/352352775.db2.gz SYZQIUYECZBWFE-RYUDHWBXSA-N 2 2 296.415 0.637 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246188859 352352779 /nfs/dbraw/zinc/35/27/79/352352779.db2.gz SYZQIUYECZBWFE-RYUDHWBXSA-N 2 2 296.415 0.637 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246188859 352352783 /nfs/dbraw/zinc/35/27/83/352352783.db2.gz SYZQIUYECZBWFE-RYUDHWBXSA-N 2 2 296.415 0.637 20 0 CCADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC000245430924 352321610 /nfs/dbraw/zinc/32/16/10/352321610.db2.gz ALADOYVMVIZEFQ-CHWSQXEVSA-N 2 2 298.431 0.883 20 0 CCADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC000245430924 352321612 /nfs/dbraw/zinc/32/16/12/352321612.db2.gz ALADOYVMVIZEFQ-CHWSQXEVSA-N 2 2 298.431 0.883 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC000245430924 352321615 /nfs/dbraw/zinc/32/16/15/352321615.db2.gz ALADOYVMVIZEFQ-CHWSQXEVSA-N 2 2 298.431 0.883 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC000245430924 352321616 /nfs/dbraw/zinc/32/16/16/352321616.db2.gz ALADOYVMVIZEFQ-CHWSQXEVSA-N 2 2 298.431 0.883 20 0 CCADLP O=C1NCC[C@@H]1[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000245691908 352333997 /nfs/dbraw/zinc/33/39/97/352333997.db2.gz PXJDCMGLEBTCGY-NEPJUHHUSA-N 2 2 260.341 0.704 20 0 CCADLP O=C1NCC[C@@H]1[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000245691908 352333999 /nfs/dbraw/zinc/33/39/99/352333999.db2.gz PXJDCMGLEBTCGY-NEPJUHHUSA-N 2 2 260.341 0.704 20 0 CCADLP C[N@@H+]1CCN(C(=O)C[C@H]2OCc3ccccc32)[C@H](C[NH3+])C1 ZINC000655419021 412563805 /nfs/dbraw/zinc/56/38/05/412563805.db2.gz JMNVPIVTENRTMD-UKRRQHHQSA-N 2 2 289.379 0.749 20 0 CCADLP C[N@H+]1CCN(C(=O)C[C@H]2OCc3ccccc32)[C@H](C[NH3+])C1 ZINC000655419021 412563808 /nfs/dbraw/zinc/56/38/08/412563808.db2.gz JMNVPIVTENRTMD-UKRRQHHQSA-N 2 2 289.379 0.749 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246397167 352364630 /nfs/dbraw/zinc/36/46/30/352364630.db2.gz QBLGAEHCWTZGNU-STQMWFEESA-N 2 2 298.431 0.740 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246397167 352364633 /nfs/dbraw/zinc/36/46/33/352364633.db2.gz QBLGAEHCWTZGNU-STQMWFEESA-N 2 2 298.431 0.740 20 0 CCADLP C[C@H](CCS(C)(=O)=O)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247037210 352395532 /nfs/dbraw/zinc/39/55/32/352395532.db2.gz LOCMLJVAUQHJBN-GRYCIOLGSA-N 2 2 262.419 0.882 20 0 CCADLP C[C@H](CCS(C)(=O)=O)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247037210 352395536 /nfs/dbraw/zinc/39/55/36/352395536.db2.gz LOCMLJVAUQHJBN-GRYCIOLGSA-N 2 2 262.419 0.882 20 0 CCADLP CC[C@]1(C(=O)N2CC[N@H+](CCOC)[C@@H](C)C2)CCC[NH2+]1 ZINC000248706649 352455009 /nfs/dbraw/zinc/45/50/09/352455009.db2.gz HRKIGBIBBPZSTA-DZGCQCFKSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@]1(C(=O)N2CC[N@@H+](CCOC)[C@@H](C)C2)CCC[NH2+]1 ZINC000248706649 352455010 /nfs/dbraw/zinc/45/50/10/352455010.db2.gz HRKIGBIBBPZSTA-DZGCQCFKSA-N 2 2 283.416 0.698 20 0 CCADLP COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1CCCCn1cc[nH+]c1C ZINC000248888702 352465640 /nfs/dbraw/zinc/46/56/40/352465640.db2.gz HSNNEQDZYQCRSE-STQMWFEESA-N 2 2 281.356 0.580 20 0 CCADLP COC(=O)[C@@H]1C[C@H](O)C[N@H+]1CCCCn1cc[nH+]c1C ZINC000248888702 352465644 /nfs/dbraw/zinc/46/56/44/352465644.db2.gz HSNNEQDZYQCRSE-STQMWFEESA-N 2 2 281.356 0.580 20 0 CCADLP C[C@@H](C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)[C@H](C)[NH3+] ZINC000249048303 352474520 /nfs/dbraw/zinc/47/45/20/352474520.db2.gz NYVXXLACXHWMON-RDBSUJKOSA-N 2 2 283.416 0.683 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000250323108 352504342 /nfs/dbraw/zinc/50/43/42/352504342.db2.gz VSVIPTIILQRNQR-UTLUCORTSA-N 2 2 256.350 0.032 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000250323108 352504343 /nfs/dbraw/zinc/50/43/43/352504343.db2.gz VSVIPTIILQRNQR-UTLUCORTSA-N 2 2 256.350 0.032 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C[NH+]1CCCC1 ZINC000250838273 352508343 /nfs/dbraw/zinc/50/83/43/352508343.db2.gz LHJRWDDKGDXKQV-QLFBSQMISA-N 3 2 267.417 0.660 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C[NH+]1CCCC1 ZINC000250838273 352508346 /nfs/dbraw/zinc/50/83/46/352508346.db2.gz LHJRWDDKGDXKQV-QLFBSQMISA-N 3 2 267.417 0.660 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C)C(=O)OC ZINC000252685302 352523086 /nfs/dbraw/zinc/52/30/86/352523086.db2.gz HXQFHVQLCGHIKJ-SFTQSGBHSA-N 2 2 299.415 0.502 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C)C(=O)OC ZINC000252685302 352523089 /nfs/dbraw/zinc/52/30/89/352523089.db2.gz HXQFHVQLCGHIKJ-SFTQSGBHSA-N 2 2 299.415 0.502 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NC[C@H]1CCCO1 ZINC000252683840 352523138 /nfs/dbraw/zinc/52/31/38/352523138.db2.gz FHIGJIHONUFXNZ-IJLUTSLNSA-N 2 2 255.362 0.093 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NC[C@H]1CCCO1 ZINC000252683840 352523140 /nfs/dbraw/zinc/52/31/40/352523140.db2.gz FHIGJIHONUFXNZ-IJLUTSLNSA-N 2 2 255.362 0.093 20 0 CCADLP CN(C)c1[nH+]cc(CNc2[nH+]cnc3c2cnn3C)n1C ZINC000265020119 352614938 /nfs/dbraw/zinc/61/49/38/352614938.db2.gz JANIAALHBAGTOZ-UHFFFAOYSA-N 2 2 286.343 0.775 20 0 CCADLP COC1(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC[NH2+]CC1 ZINC000261588185 352561723 /nfs/dbraw/zinc/56/17/23/352561723.db2.gz KBZUDYDHMMWABD-NSHDSACASA-N 2 2 266.345 0.156 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261705032 352563033 /nfs/dbraw/zinc/56/30/33/352563033.db2.gz LYAZBUVONUTZGG-ZANVPECISA-N 2 2 268.361 0.034 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261705032 352563038 /nfs/dbraw/zinc/56/30/38/352563038.db2.gz LYAZBUVONUTZGG-ZANVPECISA-N 2 2 268.361 0.034 20 0 CCADLP CN(C)C(=O)c1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)[nH]1 ZINC000261681663 352563045 /nfs/dbraw/zinc/56/30/45/352563045.db2.gz AGWAFMDIYXOMIP-OAHLLOKOSA-N 2 2 276.384 0.902 20 0 CCADLP CN(C)C(=O)c1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)[nH]1 ZINC000261681663 352563049 /nfs/dbraw/zinc/56/30/49/352563049.db2.gz AGWAFMDIYXOMIP-OAHLLOKOSA-N 2 2 276.384 0.902 20 0 CCADLP CC(C)([NH3+])C[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261959818 352567450 /nfs/dbraw/zinc/56/74/50/352567450.db2.gz PDJSUNKGALQRHD-CYBMUJFWSA-N 2 2 268.361 0.034 20 0 CCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000261956642 352567474 /nfs/dbraw/zinc/56/74/74/352567474.db2.gz QWEMOBIRLVSQRT-UONOGXRCSA-N 2 2 294.443 0.128 20 0 CCADLP Cc1nc(C)n(C[C@H]2C[N@H+](C[C@]3(C)CC[NH2+]C3)CCO2)n1 ZINC000262067334 352574780 /nfs/dbraw/zinc/57/47/80/352574780.db2.gz RSARCUJSSGDDTG-HUUCEWRRSA-N 2 2 293.415 0.595 20 0 CCADLP Cc1nc(C)n(C[C@H]2C[N@@H+](C[C@]3(C)CC[NH2+]C3)CCO2)n1 ZINC000262067334 352574782 /nfs/dbraw/zinc/57/47/82/352574782.db2.gz RSARCUJSSGDDTG-HUUCEWRRSA-N 2 2 293.415 0.595 20 0 CCADLP Cc1nc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cs1 ZINC000262132674 352582299 /nfs/dbraw/zinc/58/22/99/352582299.db2.gz OHLSXVARUQIUDX-ZDUSSCGKSA-N 2 2 294.424 0.848 20 0 CCADLP Cc1nc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cs1 ZINC000262132674 352582303 /nfs/dbraw/zinc/58/23/03/352582303.db2.gz OHLSXVARUQIUDX-ZDUSSCGKSA-N 2 2 294.424 0.848 20 0 CCADLP OCc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)o1 ZINC000266180608 352687549 /nfs/dbraw/zinc/68/75/49/352687549.db2.gz FXNHUVBTMBPXLQ-LLVKDONJSA-N 2 2 254.330 0.318 20 0 CCADLP Cn1cc2c(n1)CCC[C@@H]2[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000684551899 545701865 /nfs/dbraw/zinc/70/18/65/545701865.db2.gz DQPRITFWORMKDY-ZDUSSCGKSA-N 2 2 291.399 0.161 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000266335651 352697757 /nfs/dbraw/zinc/69/77/57/352697757.db2.gz WXIDTSDKBKRCRB-UONOGXRCSA-N 2 2 289.383 0.927 20 0 CCADLP CCNC(=O)C[N@@H+]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC000266416952 352700822 /nfs/dbraw/zinc/70/08/22/352700822.db2.gz RHYXEXYGPHADNQ-UHFFFAOYSA-N 2 2 277.372 0.433 20 0 CCADLP CCNC(=O)C[N@H+]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC000266416952 352700823 /nfs/dbraw/zinc/70/08/23/352700823.db2.gz RHYXEXYGPHADNQ-UHFFFAOYSA-N 2 2 277.372 0.433 20 0 CCADLP C[C@@H](CC(N)=O)[NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000267269917 352755196 /nfs/dbraw/zinc/75/51/96/352755196.db2.gz SBGGEZNPFYCJTA-WFASDCNBSA-N 2 2 291.395 0.259 20 0 CCADLP C[C@@H](CC(N)=O)[NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000267269917 352755200 /nfs/dbraw/zinc/75/52/00/352755200.db2.gz SBGGEZNPFYCJTA-WFASDCNBSA-N 2 2 291.395 0.259 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CCn2ccnc2)CC1 ZINC000270887958 352999788 /nfs/dbraw/zinc/99/97/88/352999788.db2.gz OMWLHENDWNOAMU-UHFFFAOYSA-N 2 2 260.345 0.439 20 0 CCADLP C[C@@H](CCn1cccn1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000272404445 353060726 /nfs/dbraw/zinc/06/07/26/353060726.db2.gz XZBUEJWTVNIFAJ-KBPBESRZSA-N 2 2 293.415 0.591 20 0 CCADLP C[C@@H](CCn1cccn1)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000272404445 353060727 /nfs/dbraw/zinc/06/07/27/353060727.db2.gz XZBUEJWTVNIFAJ-KBPBESRZSA-N 2 2 293.415 0.591 20 0 CCADLP C[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000655444376 412571143 /nfs/dbraw/zinc/57/11/43/412571143.db2.gz DUCHOWURGHXCFE-ZFWWWQNUSA-N 2 2 291.395 0.784 20 0 CCADLP C[C@@H](NC(=O)NCCn1cc[nH+]c1)C1=CC[N@H+](C)CC1 ZINC000272635845 353081129 /nfs/dbraw/zinc/08/11/29/353081129.db2.gz MPGNNFXKGKNVIC-GFCCVEGCSA-N 2 2 277.372 0.833 20 0 CCADLP C[C@@H](NC(=O)NCCn1cc[nH+]c1)C1=CC[N@@H+](C)CC1 ZINC000272635845 353081136 /nfs/dbraw/zinc/08/11/36/353081136.db2.gz MPGNNFXKGKNVIC-GFCCVEGCSA-N 2 2 277.372 0.833 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc(O)cc(F)c1 ZINC000274463979 353132170 /nfs/dbraw/zinc/13/21/70/353132170.db2.gz UFNCQHDADIUWFX-AWEZNQCLSA-N 2 2 295.358 0.961 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cc(O)cc(F)c1 ZINC000274463979 353132172 /nfs/dbraw/zinc/13/21/72/353132172.db2.gz UFNCQHDADIUWFX-AWEZNQCLSA-N 2 2 295.358 0.961 20 0 CCADLP CC1CC[NH+](CC(=O)N2CC(n3cc[nH+]c3)C2)CC1 ZINC000531634725 358475299 /nfs/dbraw/zinc/47/52/99/358475299.db2.gz BOWYYNDMANIXKI-UHFFFAOYSA-N 2 2 262.357 0.998 20 0 CCADLP Cc1nc(N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)cc[nH+]1 ZINC000276108762 353207478 /nfs/dbraw/zinc/20/74/78/353207478.db2.gz LLXIAZTWGVHPGH-MNOVXSKESA-N 2 2 250.346 0.676 20 0 CCADLP Cc1nc(N2CC[N@H+](C[C@H](C)O)C[C@H]2C)cc[nH+]1 ZINC000276108762 353207480 /nfs/dbraw/zinc/20/74/80/353207480.db2.gz LLXIAZTWGVHPGH-MNOVXSKESA-N 2 2 250.346 0.676 20 0 CCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000343468859 535210049 /nfs/dbraw/zinc/21/00/49/535210049.db2.gz FUMJRRDEEGJSGQ-SNVBAGLBSA-N 2 2 252.318 0.135 20 0 CCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000343468859 535210053 /nfs/dbraw/zinc/21/00/53/535210053.db2.gz FUMJRRDEEGJSGQ-SNVBAGLBSA-N 2 2 252.318 0.135 20 0 CCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000655449447 412575462 /nfs/dbraw/zinc/57/54/62/412575462.db2.gz GVVCZMXFBZCFPK-AAEUAGOBSA-N 2 2 274.368 0.798 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)NCc1cn2ccccc2[nH+]1 ZINC000278238333 353290090 /nfs/dbraw/zinc/29/00/90/353290090.db2.gz LDSRUIKIRXIFCT-LLVKDONJSA-N 2 2 262.313 0.314 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000280080411 353336605 /nfs/dbraw/zinc/33/66/05/353336605.db2.gz JHZHALKRNGDQMN-LLVKDONJSA-N 2 2 250.346 0.563 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CCC[N@H+]1C ZINC000280080411 353336611 /nfs/dbraw/zinc/33/66/11/353336611.db2.gz JHZHALKRNGDQMN-LLVKDONJSA-N 2 2 250.346 0.563 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655452883 412577980 /nfs/dbraw/zinc/57/79/80/412577980.db2.gz CEPHLYCKSZPBKF-IJLUTSLNSA-N 2 2 262.357 0.560 20 0 CCADLP C[N@@H+]1CCN(CCNC(=O)C=Cc2c[nH]c[nH+]2)CC1(C)C ZINC000282857822 353457890 /nfs/dbraw/zinc/45/78/90/353457890.db2.gz STEKMJOADFLTKR-SNAWJCMRSA-N 2 2 291.399 0.565 20 0 CCADLP C[N@H+]1CCN(CCNC(=O)C=Cc2c[nH]c[nH+]2)CC1(C)C ZINC000282857822 353457892 /nfs/dbraw/zinc/45/78/92/353457892.db2.gz STEKMJOADFLTKR-SNAWJCMRSA-N 2 2 291.399 0.565 20 0 CCADLP COC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccco1 ZINC000283102615 353481057 /nfs/dbraw/zinc/48/10/57/353481057.db2.gz LVWLVPJOYWKIDG-ZDUSSCGKSA-N 2 2 295.383 0.721 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655458384 412580212 /nfs/dbraw/zinc/58/02/12/412580212.db2.gz OXNPIAKYIXQLGP-TUAOUCFPSA-N 2 2 262.357 0.702 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC[NH2+]1 ZINC000655458489 412580792 /nfs/dbraw/zinc/58/07/92/412580792.db2.gz QCFWOHSONRLPEA-WOPDTQHZSA-N 2 2 262.357 0.702 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655460799 412581338 /nfs/dbraw/zinc/58/13/38/412581338.db2.gz CPUVWQYFBYGPSB-HKUMRIAESA-N 2 2 276.384 0.948 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000287392644 353643102 /nfs/dbraw/zinc/64/31/02/353643102.db2.gz PBHFUQFIWMAGCT-VJTBZZIASA-N 2 2 290.367 0.745 20 0 CCADLP CCc1nc(N2CC[NH+](C(C)(C)C(N)=O)CC2)cc(C)[nH+]1 ZINC000287893648 353674360 /nfs/dbraw/zinc/67/43/60/353674360.db2.gz OTMBICPHRSAKPZ-UHFFFAOYSA-N 2 2 291.399 0.733 20 0 CCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000655464473 412582466 /nfs/dbraw/zinc/58/24/66/412582466.db2.gz BMUOAPKJVCFDFA-RWMBFGLXSA-N 2 2 274.368 0.656 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1CC[NH2+][C@@H]1C(C)C ZINC000290019711 353701940 /nfs/dbraw/zinc/70/19/40/353701940.db2.gz FGMDIYMJYJEMSY-ZYHUDNBSSA-N 2 2 250.346 0.968 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)N(C)Cc1[nH+]ccn1C ZINC000271710319 191285132 /nfs/dbraw/zinc/28/51/32/191285132.db2.gz OFANSKKJPPMJMK-UHFFFAOYSA-N 2 2 297.403 0.530 20 0 CCADLP COCC[N@@H+](C)CCCNC(=O)N(C)Cc1[nH+]ccn1C ZINC000271710319 191285135 /nfs/dbraw/zinc/28/51/35/191285135.db2.gz OFANSKKJPPMJMK-UHFFFAOYSA-N 2 2 297.403 0.530 20 0 CCADLP CC[N@H+](CCO)CCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000290827386 353752344 /nfs/dbraw/zinc/75/23/44/353752344.db2.gz XLJPJHFBGQEXTH-UHFFFAOYSA-N 2 2 291.355 0.770 20 0 CCADLP CC[N@@H+](CCO)CCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000290827386 353752348 /nfs/dbraw/zinc/75/23/48/353752348.db2.gz XLJPJHFBGQEXTH-UHFFFAOYSA-N 2 2 291.355 0.770 20 0 CCADLP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000655466263 412583490 /nfs/dbraw/zinc/58/34/90/412583490.db2.gz UKSBSSRTYKJCHX-UTUOFQBUSA-N 2 2 262.357 0.689 20 0 CCADLP C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000295822470 353920928 /nfs/dbraw/zinc/92/09/28/353920928.db2.gz UVROAJLGGRDSHB-DGCLKSJQSA-N 2 2 274.368 0.917 20 0 CCADLP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000296520712 353950256 /nfs/dbraw/zinc/95/02/56/353950256.db2.gz SADIVFQCXOJJAG-DZGCQCFKSA-N 2 2 291.395 0.832 20 0 CCADLP C[C@@H]1C[N@H+](CCCN2C(=O)c3ccccc3C2=O)C[C@H]1[NH3+] ZINC000300168501 354060529 /nfs/dbraw/zinc/06/05/29/354060529.db2.gz VUOAHSRAFPZRFP-BXUZGUMPSA-N 2 2 287.363 0.952 20 0 CCADLP C[C@@H]1C[N@@H+](CCCN2C(=O)c3ccccc3C2=O)C[C@H]1[NH3+] ZINC000300168501 354060532 /nfs/dbraw/zinc/06/05/32/354060532.db2.gz VUOAHSRAFPZRFP-BXUZGUMPSA-N 2 2 287.363 0.952 20 0 CCADLP O=C(NC[C@H]1C[NH2+]CCO1)Nc1ccc2[nH+]ccn2c1 ZINC000556958131 291017533 /nfs/dbraw/zinc/01/75/33/291017533.db2.gz FMYCVDFUEHAOCJ-LLVKDONJSA-N 2 2 275.312 0.444 20 0 CCADLP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cnn(C)c1 ZINC000305113474 354131717 /nfs/dbraw/zinc/13/17/17/354131717.db2.gz GXZXBOMCWALGMC-LBPRGKRZSA-N 2 2 266.389 0.918 20 0 CCADLP C[C@@H](CO)N(C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000305738618 354156768 /nfs/dbraw/zinc/15/67/68/354156768.db2.gz WPOYRKSADPMHFS-LBPRGKRZSA-N 2 2 286.420 0.035 20 0 CCADLP C[C@H](CS(C)(=O)=O)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000305759331 354159671 /nfs/dbraw/zinc/15/96/71/354159671.db2.gz CTDMLRXSZHAFGE-CHWSQXEVSA-N 2 2 292.445 0.102 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H]([C@@H](C)O)C2)CC1 ZINC000305821079 354164378 /nfs/dbraw/zinc/16/43/78/354164378.db2.gz BGYWWVRNFHOZBS-MJBXVCDLSA-N 2 2 283.416 0.242 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H]([C@@H](C)O)C2)CC1 ZINC000305821079 354164382 /nfs/dbraw/zinc/16/43/82/354164382.db2.gz BGYWWVRNFHOZBS-MJBXVCDLSA-N 2 2 283.416 0.242 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000310795687 354192194 /nfs/dbraw/zinc/19/21/94/354192194.db2.gz VYSDUHPCPXQGQE-QWRGUYRKSA-N 2 2 250.346 0.944 20 0 CCADLP CCOC(=O)[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000312806272 354210679 /nfs/dbraw/zinc/21/06/79/354210679.db2.gz RWUWEWMIXNMBQG-KBPBESRZSA-N 2 2 286.416 0.963 20 0 CCADLP CCOC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000312806272 354210682 /nfs/dbraw/zinc/21/06/82/354210682.db2.gz RWUWEWMIXNMBQG-KBPBESRZSA-N 2 2 286.416 0.963 20 0 CCADLP CCOC(=O)[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000312806272 354210686 /nfs/dbraw/zinc/21/06/86/354210686.db2.gz RWUWEWMIXNMBQG-KBPBESRZSA-N 2 2 286.416 0.963 20 0 CCADLP CCOC(=O)[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000312806272 354210688 /nfs/dbraw/zinc/21/06/88/354210688.db2.gz RWUWEWMIXNMBQG-KBPBESRZSA-N 2 2 286.416 0.963 20 0 CCADLP COc1ccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)cn1 ZINC000313391615 354215139 /nfs/dbraw/zinc/21/51/39/354215139.db2.gz VGDNLPKIXKHDRP-GFCCVEGCSA-N 2 2 251.330 0.640 20 0 CCADLP COc1ccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)cn1 ZINC000313391615 354215142 /nfs/dbraw/zinc/21/51/42/354215142.db2.gz VGDNLPKIXKHDRP-GFCCVEGCSA-N 2 2 251.330 0.640 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(c2cc[nH+]c(N(C)C)n2)C[C@H]1C ZINC000607144998 363339902 /nfs/dbraw/zinc/33/99/02/363339902.db2.gz NHXPGXISQARVAU-NEPJUHHUSA-N 2 2 279.388 0.434 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(c2cc[nH+]c(N(C)C)n2)C[C@H]1C ZINC000607144998 363339906 /nfs/dbraw/zinc/33/99/06/363339906.db2.gz NHXPGXISQARVAU-NEPJUHHUSA-N 2 2 279.388 0.434 20 0 CCADLP Cn1cc([C@@H]2C[N@H+](CCn3cc[nH+]c3)C[C@H]2CO)cn1 ZINC000328615071 354238215 /nfs/dbraw/zinc/23/82/15/354238215.db2.gz RNSKHICVVBKKLQ-KBPBESRZSA-N 2 2 275.356 0.325 20 0 CCADLP Cn1cc([C@@H]2C[N@@H+](CCn3cc[nH+]c3)C[C@H]2CO)cn1 ZINC000328615071 354238219 /nfs/dbraw/zinc/23/82/19/354238219.db2.gz RNSKHICVVBKKLQ-KBPBESRZSA-N 2 2 275.356 0.325 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000557168606 291024972 /nfs/dbraw/zinc/02/49/72/291024972.db2.gz DYYPENWQPQIITP-QMMMGPOBSA-N 2 2 268.283 0.223 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000557168606 291024974 /nfs/dbraw/zinc/02/49/74/291024974.db2.gz DYYPENWQPQIITP-QMMMGPOBSA-N 2 2 268.283 0.223 20 0 CCADLP CC(=O)NC[C@@H]1C[N@H+](CCCn2cc[nH+]c2C)CCO1 ZINC000330509072 354385892 /nfs/dbraw/zinc/38/58/92/354385892.db2.gz COTPOEJFRVXIIS-CQSZACIVSA-N 2 2 280.372 0.419 20 0 CCADLP CC(=O)NC[C@@H]1C[N@@H+](CCCn2cc[nH+]c2C)CCO1 ZINC000330509072 354385894 /nfs/dbraw/zinc/38/58/94/354385894.db2.gz COTPOEJFRVXIIS-CQSZACIVSA-N 2 2 280.372 0.419 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000331310952 354529193 /nfs/dbraw/zinc/52/91/93/354529193.db2.gz UXFHBVOKBJLSRI-VXGBXAGGSA-N 2 2 264.373 0.902 20 0 CCADLP [NH3+]C[C@@H]1CCCN1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000332163786 354623677 /nfs/dbraw/zinc/62/36/77/354623677.db2.gz UASNUZRORSWFFS-STQMWFEESA-N 2 2 289.383 0.793 20 0 CCADLP Cc1cnc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)cn1 ZINC000332487180 354685218 /nfs/dbraw/zinc/68/52/18/354685218.db2.gz YGOVAMXCMYNMST-UHFFFAOYSA-N 2 2 272.356 0.841 20 0 CCADLP CC[N@@H+]1CCC[C@H](CNC(=O)NCCn2cc[nH+]c2)C1 ZINC000332551116 354694770 /nfs/dbraw/zinc/69/47/70/354694770.db2.gz KILVLZQQUUYSIE-CYBMUJFWSA-N 2 2 279.388 0.914 20 0 CCADLP CC[N@H+]1CCC[C@H](CNC(=O)NCCn2cc[nH+]c2)C1 ZINC000332551116 354694772 /nfs/dbraw/zinc/69/47/72/354694772.db2.gz KILVLZQQUUYSIE-CYBMUJFWSA-N 2 2 279.388 0.914 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000557597480 291037550 /nfs/dbraw/zinc/03/75/50/291037550.db2.gz ZVVJWHPYCLTFMX-UHFFFAOYSA-N 2 2 250.346 0.768 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000557597480 291037552 /nfs/dbraw/zinc/03/75/52/291037552.db2.gz ZVVJWHPYCLTFMX-UHFFFAOYSA-N 2 2 250.346 0.768 20 0 CCADLP c1nc(N2CC[C@H](N3CC[NH2+]CC3)C2)cc(NC2CC2)[nH+]1 ZINC000333623479 354765026 /nfs/dbraw/zinc/76/50/26/354765026.db2.gz ZURRVMYGWBIFGF-ZDUSSCGKSA-N 2 2 288.399 0.535 20 0 CCADLP CCCN(C(=O)NC[C@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH2+]C1 ZINC000333680608 354776146 /nfs/dbraw/zinc/77/61/46/354776146.db2.gz ZPVWXSUYKRKLRL-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP CCCN(C(=O)NC[C@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH2+]C1 ZINC000333680608 354776149 /nfs/dbraw/zinc/77/61/49/354776149.db2.gz ZPVWXSUYKRKLRL-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP Cc1nc(NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc[nH+]1 ZINC000608082241 363400292 /nfs/dbraw/zinc/40/02/92/363400292.db2.gz SFOCPOCSLZXSOD-GFCCVEGCSA-N 2 2 277.372 0.206 20 0 CCADLP Cc1nc(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc[nH+]1 ZINC000608082241 363400296 /nfs/dbraw/zinc/40/02/96/363400296.db2.gz SFOCPOCSLZXSOD-GFCCVEGCSA-N 2 2 277.372 0.206 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000334043057 354841663 /nfs/dbraw/zinc/84/16/63/354841663.db2.gz PAKHIZXKBURNDT-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP O=C(NCC1=CC[NH2+]CC1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000423545234 235003004 /nfs/dbraw/zinc/00/30/04/235003004.db2.gz JFYKXNQLMNCAGN-OAHLLOKOSA-N 2 2 293.411 0.523 20 0 CCADLP O=C(NCC1=CC[NH2+]CC1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000423545234 235003008 /nfs/dbraw/zinc/00/30/08/235003008.db2.gz JFYKXNQLMNCAGN-OAHLLOKOSA-N 2 2 293.411 0.523 20 0 CCADLP COc1cc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCO2)c(F)cn1 ZINC000423546419 235003039 /nfs/dbraw/zinc/00/30/39/235003039.db2.gz DFGQEYYWPAVOPJ-UWVGGRQHSA-N 2 2 269.320 0.868 20 0 CCADLP O=C(NC[C@H]1CC[NH2+]C1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000423548166 235004324 /nfs/dbraw/zinc/00/43/24/235004324.db2.gz DRKUPMOXKBMTTD-UONOGXRCSA-N 2 2 281.400 0.213 20 0 CCADLP O=C(NC[C@H]1CC[NH2+]C1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000423548166 235004328 /nfs/dbraw/zinc/00/43/28/235004328.db2.gz DRKUPMOXKBMTTD-UONOGXRCSA-N 2 2 281.400 0.213 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)[C@H](C)[NH3+] ZINC000423689158 235036772 /nfs/dbraw/zinc/03/67/72/235036772.db2.gz YEWMOFLLGQJUCA-LOWVWBTDSA-N 2 2 269.389 0.482 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)[C@H](C)[NH3+] ZINC000423689158 235036775 /nfs/dbraw/zinc/03/67/75/235036775.db2.gz YEWMOFLLGQJUCA-LOWVWBTDSA-N 2 2 269.389 0.482 20 0 CCADLP C[C@H]([NH3+])CCC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000423868385 235099872 /nfs/dbraw/zinc/09/98/72/235099872.db2.gz NKEBHKOVYFXGLA-JSGCOSHPSA-N 2 2 283.416 0.683 20 0 CCADLP C[C@H]([NH3+])CCC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000423868385 235099875 /nfs/dbraw/zinc/09/98/75/235099875.db2.gz NKEBHKOVYFXGLA-JSGCOSHPSA-N 2 2 283.416 0.683 20 0 CCADLP C[C@H]([NH3+])C(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000423934562 235124857 /nfs/dbraw/zinc/12/48/57/235124857.db2.gz ZGLZDVKDDNXBOZ-QWRGUYRKSA-N 2 2 278.356 0.475 20 0 CCADLP C[C@H](C(=O)N1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000424053856 235144742 /nfs/dbraw/zinc/14/47/42/235144742.db2.gz AFWBYYIKWNLBNC-LXTVHRRPSA-N 2 2 296.459 0.454 20 0 CCADLP C[C@H]([NH3+])C[N@H+](C)C[C@H](O)COCc1ccccc1 ZINC000336706270 355143566 /nfs/dbraw/zinc/14/35/66/355143566.db2.gz IIVBVUIFDNLJRS-JSGCOSHPSA-N 2 2 252.358 0.843 20 0 CCADLP C[C@H]([NH3+])C[N@@H+](C)C[C@H](O)COCc1ccccc1 ZINC000336706270 355143568 /nfs/dbraw/zinc/14/35/68/355143568.db2.gz IIVBVUIFDNLJRS-JSGCOSHPSA-N 2 2 252.358 0.843 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000336802557 355178312 /nfs/dbraw/zinc/17/83/12/355178312.db2.gz VBUUBVRFPZJZJN-ZDUSSCGKSA-N 2 2 269.389 0.044 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000336802557 355178314 /nfs/dbraw/zinc/17/83/14/355178314.db2.gz VBUUBVRFPZJZJN-ZDUSSCGKSA-N 2 2 269.389 0.044 20 0 CCADLP c1cc(O[C@@H]2CC[N@@H+](C[C@H]3COCCO3)C2)cc[nH+]1 ZINC000336803519 355179401 /nfs/dbraw/zinc/17/94/01/355179401.db2.gz YSFSVMAYSZNVJT-KGLIPLIRSA-N 2 2 264.325 0.950 20 0 CCADLP c1cc(O[C@@H]2CC[N@H+](C[C@H]3COCCO3)C2)cc[nH+]1 ZINC000336803519 355179406 /nfs/dbraw/zinc/17/94/06/355179406.db2.gz YSFSVMAYSZNVJT-KGLIPLIRSA-N 2 2 264.325 0.950 20 0 CCADLP Cn1cc(CC[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cn1 ZINC000336819938 355192945 /nfs/dbraw/zinc/19/29/45/355192945.db2.gz BEHSIZZYJHGFQW-OAHLLOKOSA-N 2 2 278.400 0.617 20 0 CCADLP Cn1cc(CC[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cn1 ZINC000336819938 355192947 /nfs/dbraw/zinc/19/29/47/355192947.db2.gz BEHSIZZYJHGFQW-OAHLLOKOSA-N 2 2 278.400 0.617 20 0 CCADLP C[C@H](C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)[NH+]1CCOCC1 ZINC000424246377 235187396 /nfs/dbraw/zinc/18/73/96/235187396.db2.gz VPKXJDGBTTXJLL-ZIAGYGMSSA-N 2 2 295.427 0.698 20 0 CCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC000424287073 235193596 /nfs/dbraw/zinc/19/35/96/235193596.db2.gz IJGBMFKAUSSVEZ-QJPTWQEYSA-N 2 2 255.362 0.141 20 0 CCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC000424336417 235197877 /nfs/dbraw/zinc/19/78/77/235197877.db2.gz QOZLKDVVVUKXRU-GHMZBOCLSA-N 2 2 261.329 0.382 20 0 CCADLP C[N@H+](C[C@](C)(O)C(F)(F)F)C1CC[NH+](CCO)CC1 ZINC000337142297 355272509 /nfs/dbraw/zinc/27/25/09/355272509.db2.gz TYBQZSKBJMWDQH-NSHDSACASA-N 2 2 284.322 0.688 20 0 CCADLP C[N@@H+](C[C@](C)(O)C(F)(F)F)C1CC[NH+](CCO)CC1 ZINC000337142297 355272511 /nfs/dbraw/zinc/27/25/11/355272511.db2.gz TYBQZSKBJMWDQH-NSHDSACASA-N 2 2 284.322 0.688 20 0 CCADLP [NH3+]CCCCNC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424479947 235214299 /nfs/dbraw/zinc/21/42/99/235214299.db2.gz POEIYSVHMIYQJK-VIFPVBQESA-N 2 2 264.320 0.269 20 0 CCADLP CC[NH+]1CCN(CC(=O)NCCCn2cc[nH+]c2C)CC1 ZINC000338331391 355323718 /nfs/dbraw/zinc/32/37/18/355323718.db2.gz HJSJADRKOUKSCV-UHFFFAOYSA-N 2 2 293.415 0.335 20 0 CCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccncc1F ZINC000338343158 355326581 /nfs/dbraw/zinc/32/65/81/355326581.db2.gz LWCKFBVYXCLIOM-LLVKDONJSA-N 2 2 280.347 0.645 20 0 CCADLP Cn1nccc1CC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000338547390 355367070 /nfs/dbraw/zinc/36/70/70/355367070.db2.gz NQUUHCPGJDKANQ-UHFFFAOYSA-N 2 2 266.389 0.351 20 0 CCADLP Cn1nccc1CC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000338547390 355367074 /nfs/dbraw/zinc/36/70/74/355367074.db2.gz NQUUHCPGJDKANQ-UHFFFAOYSA-N 2 2 266.389 0.351 20 0 CCADLP COC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000338781681 355419161 /nfs/dbraw/zinc/41/91/61/355419161.db2.gz QHSVRBZOIYPITD-HNNXBMFYSA-N 2 2 279.384 0.643 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@@H]2CCOC2)CC1 ZINC000340248920 355538117 /nfs/dbraw/zinc/53/81/17/355538117.db2.gz AAQYOACQUJOOSA-ZDUSSCGKSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000340286079 355548784 /nfs/dbraw/zinc/54/87/84/355548784.db2.gz LNXWIZLFECGPQU-QKPAOTATSA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000340286079 355548788 /nfs/dbraw/zinc/54/87/88/355548788.db2.gz LNXWIZLFECGPQU-QKPAOTATSA-N 2 2 297.443 0.237 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCOC[C@H]1C ZINC000341118235 355610052 /nfs/dbraw/zinc/61/00/52/355610052.db2.gz IABCYLILQXMXQU-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCOC[C@H]1C ZINC000341118235 355610059 /nfs/dbraw/zinc/61/00/59/355610059.db2.gz IABCYLILQXMXQU-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH+]1CCC[C@@H]1CNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000341118235 355610063 /nfs/dbraw/zinc/61/00/63/355610063.db2.gz IABCYLILQXMXQU-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000341724314 355722734 /nfs/dbraw/zinc/72/27/34/355722734.db2.gz VVSCTKAYYFVCRP-WCQYABFASA-N 2 2 276.384 0.962 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000341724314 355722736 /nfs/dbraw/zinc/72/27/36/355722736.db2.gz VVSCTKAYYFVCRP-WCQYABFASA-N 2 2 276.384 0.962 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+]CCn2cccn2)CC1 ZINC000342772698 355743250 /nfs/dbraw/zinc/74/32/50/355743250.db2.gz AWFSEAVEXQOVLD-UHFFFAOYSA-N 2 2 294.399 0.890 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000342788345 355746718 /nfs/dbraw/zinc/74/67/18/355746718.db2.gz YZNNZOVHTRWBRD-MGPQQGTHSA-N 2 2 281.400 0.402 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000342788345 355746721 /nfs/dbraw/zinc/74/67/21/355746721.db2.gz YZNNZOVHTRWBRD-MGPQQGTHSA-N 2 2 281.400 0.402 20 0 CCADLP CC(C)[C@H](O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000352841206 356094072 /nfs/dbraw/zinc/09/40/72/356094072.db2.gz GJPQYVYDWJDNEM-AWEZNQCLSA-N 2 2 285.432 0.488 20 0 CCADLP CC(C)[C@H](O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000352841206 356094075 /nfs/dbraw/zinc/09/40/75/356094075.db2.gz GJPQYVYDWJDNEM-AWEZNQCLSA-N 2 2 285.432 0.488 20 0 CCADLP Cc1cn[nH]c1C[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000352854671 356097282 /nfs/dbraw/zinc/09/72/82/356097282.db2.gz RFROMRPBCSKZNJ-ZDUSSCGKSA-N 2 2 266.389 0.901 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](CO)C2CCOCC2)C1 ZINC000360813990 138012066 /nfs/dbraw/zinc/01/20/66/138012066.db2.gz IVCFBVKCPUSPGO-YUTCNCBUSA-N 2 2 256.390 0.704 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](CO)C2CCOCC2)C1 ZINC000360813990 138012067 /nfs/dbraw/zinc/01/20/67/138012067.db2.gz IVCFBVKCPUSPGO-YUTCNCBUSA-N 2 2 256.390 0.704 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CC2(O)CCCC2)CC1 ZINC000360898819 138015386 /nfs/dbraw/zinc/01/53/86/138015386.db2.gz YHSPYYMMEGRGOD-UHFFFAOYSA-N 2 2 297.443 0.824 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnnn2C)[C@@H](C)C1 ZINC000353751735 356286399 /nfs/dbraw/zinc/28/63/99/356286399.db2.gz JPNGUASEQRHMHG-WCQYABFASA-N 2 2 251.378 0.977 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnnn2C)[C@@H](C)C1 ZINC000353751735 356286400 /nfs/dbraw/zinc/28/64/00/356286400.db2.gz JPNGUASEQRHMHG-WCQYABFASA-N 2 2 251.378 0.977 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnnn2C)[C@@H](C)C1 ZINC000353751735 356286401 /nfs/dbraw/zinc/28/64/01/356286401.db2.gz JPNGUASEQRHMHG-WCQYABFASA-N 2 2 251.378 0.977 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnnn2C)[C@@H](C)C1 ZINC000353751735 356286402 /nfs/dbraw/zinc/28/64/02/356286402.db2.gz JPNGUASEQRHMHG-WCQYABFASA-N 2 2 251.378 0.977 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000353760548 356288024 /nfs/dbraw/zinc/28/80/24/356288024.db2.gz IWTLJGCCOPMOAG-VXGBXAGGSA-N 2 2 278.356 0.207 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000353760548 356288030 /nfs/dbraw/zinc/28/80/30/356288030.db2.gz IWTLJGCCOPMOAG-VXGBXAGGSA-N 2 2 278.356 0.207 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCCNC2=O)CC1 ZINC000360963234 138017259 /nfs/dbraw/zinc/01/72/59/138017259.db2.gz AEPMVFNFQQMFDJ-ZDUSSCGKSA-N 2 2 297.399 0.272 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1CNc1cc[nH+]c(C)n1 ZINC000360999734 138018570 /nfs/dbraw/zinc/01/85/70/138018570.db2.gz VXOFUEFPIFDXEC-LBPRGKRZSA-N 2 2 250.346 0.730 20 0 CCADLP COCC[N@H+]1CCC[C@H]1CNc1cc[nH+]c(C)n1 ZINC000360999734 138018571 /nfs/dbraw/zinc/01/85/71/138018571.db2.gz VXOFUEFPIFDXEC-LBPRGKRZSA-N 2 2 250.346 0.730 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cnccn1 ZINC000361183387 138024266 /nfs/dbraw/zinc/02/42/66/138024266.db2.gz USGBDTXOUXJUAD-QWHCGFSZSA-N 2 2 291.399 0.715 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cnccn1 ZINC000361183387 138024267 /nfs/dbraw/zinc/02/42/67/138024267.db2.gz USGBDTXOUXJUAD-QWHCGFSZSA-N 2 2 291.399 0.715 20 0 CCADLP C[C@H]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[N@@H+]1C ZINC000354073378 356341371 /nfs/dbraw/zinc/34/13/71/356341371.db2.gz WMFOIJSMRKZFOL-WDEREUQCSA-N 2 2 250.346 0.941 20 0 CCADLP C[C@H]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[N@H+]1C ZINC000354073378 356341373 /nfs/dbraw/zinc/34/13/73/356341373.db2.gz WMFOIJSMRKZFOL-WDEREUQCSA-N 2 2 250.346 0.941 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000354281016 356381286 /nfs/dbraw/zinc/38/12/86/356381286.db2.gz GCLUQGVZWYOWAH-STQMWFEESA-N 2 2 292.383 0.597 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000354281016 356381290 /nfs/dbraw/zinc/38/12/90/356381290.db2.gz GCLUQGVZWYOWAH-STQMWFEESA-N 2 2 292.383 0.597 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCOCC2)C[C@@H]1C ZINC000354226617 356369643 /nfs/dbraw/zinc/36/96/43/356369643.db2.gz XCFBDNBAUORERS-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCOCC2)C[C@@H]1C ZINC000354226617 356369644 /nfs/dbraw/zinc/36/96/44/356369644.db2.gz XCFBDNBAUORERS-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCOCC2)C[C@@H]1C ZINC000354226617 356369646 /nfs/dbraw/zinc/36/96/46/356369646.db2.gz XCFBDNBAUORERS-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCOCC2)C[C@@H]1C ZINC000354226617 356369648 /nfs/dbraw/zinc/36/96/48/356369648.db2.gz XCFBDNBAUORERS-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP COCCCCC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362832461 138076251 /nfs/dbraw/zinc/07/62/51/138076251.db2.gz ZHVFKVKGLCBXCS-CQSZACIVSA-N 2 2 283.416 0.699 20 0 CCADLP COCCCCC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362832461 138076252 /nfs/dbraw/zinc/07/62/52/138076252.db2.gz ZHVFKVKGLCBXCS-CQSZACIVSA-N 2 2 283.416 0.699 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363182832 138087424 /nfs/dbraw/zinc/08/74/24/138087424.db2.gz HPHABCKMHUGDBZ-VXGBXAGGSA-N 2 2 293.371 0.083 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363182832 138087425 /nfs/dbraw/zinc/08/74/25/138087425.db2.gz HPHABCKMHUGDBZ-VXGBXAGGSA-N 2 2 293.371 0.083 20 0 CCADLP CCC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[N@@H+]1CCOC ZINC000560389280 291098933 /nfs/dbraw/zinc/09/89/33/291098933.db2.gz GIGOTPQTDNIYSH-CQSZACIVSA-N 2 2 294.399 0.842 20 0 CCADLP CCC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[N@H+]1CCOC ZINC000560389280 291098936 /nfs/dbraw/zinc/09/89/36/291098936.db2.gz GIGOTPQTDNIYSH-CQSZACIVSA-N 2 2 294.399 0.842 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCO2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354949665 356534984 /nfs/dbraw/zinc/53/49/84/356534984.db2.gz SSGADSQZXZVTCR-HIFRSBDPSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCO2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354949665 356534989 /nfs/dbraw/zinc/53/49/89/356534989.db2.gz SSGADSQZXZVTCR-HIFRSBDPSA-N 2 2 295.427 0.792 20 0 CCADLP CCNC(=O)C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355026620 356553105 /nfs/dbraw/zinc/55/31/05/356553105.db2.gz APNPIARPAOGFDM-CYBMUJFWSA-N 2 2 282.432 0.223 20 0 CCADLP CCNC(=O)C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355026620 356553107 /nfs/dbraw/zinc/55/31/07/356553107.db2.gz APNPIARPAOGFDM-CYBMUJFWSA-N 2 2 282.432 0.223 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157388 363475195 /nfs/dbraw/zinc/47/51/95/363475195.db2.gz HWVKTXNBWREZEM-GFCCVEGCSA-N 2 2 293.371 0.756 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157388 363475202 /nfs/dbraw/zinc/47/52/02/363475202.db2.gz HWVKTXNBWREZEM-GFCCVEGCSA-N 2 2 293.371 0.756 20 0 CCADLP NC(=O)NC(=O)CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157580 363475833 /nfs/dbraw/zinc/47/58/33/363475833.db2.gz GWRDDAXSYZSNSM-SNVBAGLBSA-N 2 2 265.317 0.105 20 0 CCADLP NC(=O)NC(=O)CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157580 363475835 /nfs/dbraw/zinc/47/58/35/363475835.db2.gz GWRDDAXSYZSNSM-SNVBAGLBSA-N 2 2 265.317 0.105 20 0 CCADLP Cn1nncc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000355213167 356609462 /nfs/dbraw/zinc/60/94/62/356609462.db2.gz PTSYVDQWRSJDPL-KWCYVHTRSA-N 2 2 279.388 0.499 20 0 CCADLP Cn1nncc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000355213167 356609467 /nfs/dbraw/zinc/60/94/67/356609467.db2.gz PTSYVDQWRSJDPL-KWCYVHTRSA-N 2 2 279.388 0.499 20 0 CCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000355817960 356654258 /nfs/dbraw/zinc/65/42/58/356654258.db2.gz YYFWLUZRMOKBPQ-HIFRSBDPSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000355817960 356654260 /nfs/dbraw/zinc/65/42/60/356654260.db2.gz YYFWLUZRMOKBPQ-HIFRSBDPSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000355817960 356654262 /nfs/dbraw/zinc/65/42/62/356654262.db2.gz YYFWLUZRMOKBPQ-HIFRSBDPSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000355817960 356654263 /nfs/dbraw/zinc/65/42/63/356654263.db2.gz YYFWLUZRMOKBPQ-HIFRSBDPSA-N 2 2 295.427 0.792 20 0 CCADLP CC[C@@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)c1[nH]cc[nH+]1 ZINC000356118006 356706058 /nfs/dbraw/zinc/70/60/58/356706058.db2.gz DRWLCADGCAHQFP-MNOVXSKESA-N 2 2 266.345 0.698 20 0 CCADLP CC[C@@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)c1[nH]cc[nH+]1 ZINC000356118006 356706064 /nfs/dbraw/zinc/70/60/64/356706064.db2.gz DRWLCADGCAHQFP-MNOVXSKESA-N 2 2 266.345 0.698 20 0 CCADLP Cc1nc([C@@H]2CN(CCn3cc[nH+]c3)CCO2)no1 ZINC000329055117 202168847 /nfs/dbraw/zinc/16/88/47/202168847.db2.gz SHFUYCLLPNQZSA-NSHDSACASA-N 2 2 263.301 0.648 20 0 CCADLP Cc1nc([C@@H]2C[N@H+](CCn3cc[nH+]c3)CCO2)no1 ZINC000329055117 202168849 /nfs/dbraw/zinc/16/88/49/202168849.db2.gz SHFUYCLLPNQZSA-NSHDSACASA-N 2 2 263.301 0.648 20 0 CCADLP Cc1nc([C@@H]2C[N@@H+](CCn3cc[nH+]c3)CCO2)no1 ZINC000329055117 202168852 /nfs/dbraw/zinc/16/88/52/202168852.db2.gz SHFUYCLLPNQZSA-NSHDSACASA-N 2 2 263.301 0.648 20 0 CCADLP C[C@@H](C(=O)NCCc1cccs1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359275096 356790973 /nfs/dbraw/zinc/79/09/73/356790973.db2.gz BUHIRVNGMJAVCY-RWMBFGLXSA-N 2 2 293.436 0.947 20 0 CCADLP C[C@@H](C(=O)NCCc1cccs1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359275096 356790977 /nfs/dbraw/zinc/79/09/77/356790977.db2.gz BUHIRVNGMJAVCY-RWMBFGLXSA-N 2 2 293.436 0.947 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000619900371 366380678 /nfs/dbraw/zinc/38/06/78/366380678.db2.gz ZTXPRNISAVPUHY-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000619900371 366380681 /nfs/dbraw/zinc/38/06/81/366380681.db2.gz ZTXPRNISAVPUHY-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N2CCn3cc[nH+]c3C2)no1 ZINC000359359514 356808088 /nfs/dbraw/zinc/80/80/88/356808088.db2.gz KVAABAKTQVMWDA-UHFFFAOYSA-N 2 2 275.312 0.589 20 0 CCADLP CN(C(=O)c1cc(C[NH+](C)C)on1)[C@H]1C[NH+]2CCC1CC2 ZINC000359360267 356808658 /nfs/dbraw/zinc/80/86/58/356808658.db2.gz LXDNMQDTKRZFBR-AWEZNQCLSA-N 2 2 292.383 0.902 20 0 CCADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@H]1COCC[NH+]1CC ZINC000359743316 356882723 /nfs/dbraw/zinc/88/27/23/356882723.db2.gz MWYBYAVSEMZZHK-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@H]1COCC[NH+]1CC ZINC000359743316 356882728 /nfs/dbraw/zinc/88/27/28/356882728.db2.gz MWYBYAVSEMZZHK-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1COCC[N@@H+]1CC ZINC000359743316 356882730 /nfs/dbraw/zinc/88/27/30/356882730.db2.gz MWYBYAVSEMZZHK-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1COCC[N@H+]1CC ZINC000359743316 356882734 /nfs/dbraw/zinc/88/27/34/356882734.db2.gz MWYBYAVSEMZZHK-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP COC(=O)[C@@H](C1CC1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000359586024 356851636 /nfs/dbraw/zinc/85/16/36/356851636.db2.gz CIUWSNJVXXPXAG-GFCCVEGCSA-N 2 2 278.356 0.494 20 0 CCADLP C[C@H](CC(N)=O)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000360037608 356938731 /nfs/dbraw/zinc/93/87/31/356938731.db2.gz KQVXDCZGJXCCDP-SNVBAGLBSA-N 2 2 250.346 0.615 20 0 CCADLP C[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCN(C)CC1 ZINC000360085577 356945332 /nfs/dbraw/zinc/94/53/32/356945332.db2.gz QGDKHMFJIIDKHN-HUUCEWRRSA-N 2 2 296.459 0.423 20 0 CCADLP C[C@H](C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)CS(C)(=O)=O ZINC000360559601 357039633 /nfs/dbraw/zinc/03/96/33/357039633.db2.gz CDOZKQWHSQENGB-VXGBXAGGSA-N 2 2 260.403 0.353 20 0 CCADLP C[C@H](C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)CS(C)(=O)=O ZINC000360559601 357039636 /nfs/dbraw/zinc/03/96/36/357039636.db2.gz CDOZKQWHSQENGB-VXGBXAGGSA-N 2 2 260.403 0.353 20 0 CCADLP C[C@H](C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)CS(C)(=O)=O ZINC000360559598 357040005 /nfs/dbraw/zinc/04/00/05/357040005.db2.gz CDOZKQWHSQENGB-NEPJUHHUSA-N 2 2 260.403 0.353 20 0 CCADLP C[C@H](C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)CS(C)(=O)=O ZINC000360559598 357040008 /nfs/dbraw/zinc/04/00/08/357040008.db2.gz CDOZKQWHSQENGB-NEPJUHHUSA-N 2 2 260.403 0.353 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000360820630 357041977 /nfs/dbraw/zinc/04/19/77/357041977.db2.gz VXCSSWKMBTVNDS-VWYCJHECSA-N 2 2 273.327 0.727 20 0 CCADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000360820630 357041980 /nfs/dbraw/zinc/04/19/80/357041980.db2.gz VXCSSWKMBTVNDS-VWYCJHECSA-N 2 2 273.327 0.727 20 0 CCADLP C[C@@H](CC(N)=O)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000360417886 357007845 /nfs/dbraw/zinc/00/78/45/357007845.db2.gz VSTYJCBPPVKXDT-LBPRGKRZSA-N 2 2 276.384 0.900 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000364366809 357112622 /nfs/dbraw/zinc/11/26/22/357112622.db2.gz QCTCTSOUFAMOQU-STQMWFEESA-N 2 2 278.356 0.253 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000364366809 357112629 /nfs/dbraw/zinc/11/26/29/357112629.db2.gz QCTCTSOUFAMOQU-STQMWFEESA-N 2 2 278.356 0.253 20 0 CCADLP C[NH+](C)CCn1ccc(=NC(=O)[C@H]2CCCCC[NH2+]2)[nH]1 ZINC000364133653 357087692 /nfs/dbraw/zinc/08/76/92/357087692.db2.gz YYQCEZWLBBVDJH-GFCCVEGCSA-N 2 2 279.388 0.337 20 0 CCADLP c1nc(N2CC[NH+]3CCC2CC3)cc(N2CCOCC2)[nH+]1 ZINC000365488347 357153889 /nfs/dbraw/zinc/15/38/89/357153889.db2.gz USQDRPCLLRSSBF-UHFFFAOYSA-N 2 2 289.383 0.598 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCN(c2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000365545346 357158024 /nfs/dbraw/zinc/15/80/24/357158024.db2.gz JLJZZSKUZFVKDM-VIFPVBQESA-N 2 2 298.354 0.673 20 0 CCADLP CC(C)[C@@H](CO)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655722014 412651637 /nfs/dbraw/zinc/65/16/37/412651637.db2.gz UPPQGZIUAZSTQD-UONOGXRCSA-N 2 2 256.390 0.846 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000366892143 357250685 /nfs/dbraw/zinc/25/06/85/357250685.db2.gz YNSUNZWRUKOKRY-GFCCVEGCSA-N 2 2 294.399 0.914 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000366892143 357250694 /nfs/dbraw/zinc/25/06/94/357250694.db2.gz YNSUNZWRUKOKRY-GFCCVEGCSA-N 2 2 294.399 0.914 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000366892143 357250698 /nfs/dbraw/zinc/25/06/98/357250698.db2.gz YNSUNZWRUKOKRY-GFCCVEGCSA-N 2 2 294.399 0.914 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000366892143 357250706 /nfs/dbraw/zinc/25/07/06/357250706.db2.gz YNSUNZWRUKOKRY-GFCCVEGCSA-N 2 2 294.399 0.914 20 0 CCADLP CC(C)(C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000366991759 357263853 /nfs/dbraw/zinc/26/38/53/357263853.db2.gz ZRLRBVQMAJUMLR-ZIAGYGMSSA-N 2 2 295.427 0.840 20 0 CCADLP CC(C)(C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000366991759 357263857 /nfs/dbraw/zinc/26/38/57/357263857.db2.gz ZRLRBVQMAJUMLR-ZIAGYGMSSA-N 2 2 295.427 0.840 20 0 CCADLP COCCNC(=[NH2+])NCC1([NH+]2CCOCC2)CCCCC1 ZINC000377497087 357580593 /nfs/dbraw/zinc/58/05/93/357580593.db2.gz STJZPNWSMLSKHQ-UHFFFAOYSA-N 2 2 298.431 0.782 20 0 CCADLP O=C(Cc1cn2ccccc2[nH+]1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000377529782 357585375 /nfs/dbraw/zinc/58/53/75/357585375.db2.gz IGNPSRGUXGNUTD-LLVKDONJSA-N 2 2 294.305 0.942 20 0 CCADLP CCO[C@@H]1COC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655773706 412658615 /nfs/dbraw/zinc/65/86/15/412658615.db2.gz DDIOGEYQVSCMNF-RRFJBIMHSA-N 2 2 284.400 0.633 20 0 CCADLP OC[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655772439 412658206 /nfs/dbraw/zinc/65/82/06/412658206.db2.gz IOGGEAVBSHYFNQ-SNPRPXQTSA-N 2 2 268.401 0.990 20 0 CCADLP Cc1nc(NCC[NH+]2CCC(C)CC2)nc(N)[nH+]1 ZINC000380759060 357705505 /nfs/dbraw/zinc/70/55/05/357705505.db2.gz OYMGBBYTKWKOPC-UHFFFAOYSA-N 2 2 250.350 0.158 20 0 CCADLP O=C(CC[C@H]1CCC[NH2+]C1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394381762 357755903 /nfs/dbraw/zinc/75/59/03/357755903.db2.gz SVNVQRWIUBHCOS-CABCVRRESA-N 2 2 294.443 0.272 20 0 CCADLP O=C(CC[C@H]1CCC[NH2+]C1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000394381762 357755905 /nfs/dbraw/zinc/75/59/05/357755905.db2.gz SVNVQRWIUBHCOS-CABCVRRESA-N 2 2 294.443 0.272 20 0 CCADLP Cc1cc(NC[C@H]2CCCC[N@@H+]2CCO)nc(C)[nH+]1 ZINC000450622633 236102182 /nfs/dbraw/zinc/10/21/82/236102182.db2.gz YVZNAUJRWXERGX-CYBMUJFWSA-N 2 2 264.373 0.774 20 0 CCADLP Cc1cc(NC[C@H]2CCCC[N@H+]2CCO)nc(C)[nH+]1 ZINC000450622633 236102183 /nfs/dbraw/zinc/10/21/83/236102183.db2.gz YVZNAUJRWXERGX-CYBMUJFWSA-N 2 2 264.373 0.774 20 0 CCADLP COC[C@@H](CCO)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352786825 219631476 /nfs/dbraw/zinc/63/14/76/219631476.db2.gz KHRZWZPYMGZIHR-SNVBAGLBSA-N 2 2 273.402 0.692 20 0 CCADLP O[C@@H]1COC[C@@H]1[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000561273262 291125471 /nfs/dbraw/zinc/12/54/71/291125471.db2.gz CZQWOIOWQVOCEO-RWMBFGLXSA-N 2 2 263.341 0.575 20 0 CCADLP O[C@@H]1COC[C@@H]1[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000561273262 291125473 /nfs/dbraw/zinc/12/54/73/291125473.db2.gz CZQWOIOWQVOCEO-RWMBFGLXSA-N 2 2 263.341 0.575 20 0 CCADLP CNC(=O)N1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000336234101 213064126 /nfs/dbraw/zinc/06/41/26/213064126.db2.gz UQVRRUUCJHHZOQ-GFCCVEGCSA-N 2 2 254.378 0.428 20 0 CCADLP CNC(=O)N1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000336234101 213064129 /nfs/dbraw/zinc/06/41/29/213064129.db2.gz UQVRRUUCJHHZOQ-GFCCVEGCSA-N 2 2 254.378 0.428 20 0 CCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc[nH+]cc1C(N)=O ZINC000561359361 291128227 /nfs/dbraw/zinc/12/82/27/291128227.db2.gz YQKMLQJZUFMEKV-NWDGAFQWSA-N 2 2 290.367 0.480 20 0 CCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cn1cc[nH+]c1 ZINC000287440583 291128333 /nfs/dbraw/zinc/12/83/33/291128333.db2.gz RARBZRRZDVAXBK-STQMWFEESA-N 2 2 278.356 0.205 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000561562992 291131630 /nfs/dbraw/zinc/13/16/30/291131630.db2.gz OVBRLOIGJVBLSN-UHFFFAOYSA-N 2 2 293.415 0.105 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000561562992 291131633 /nfs/dbraw/zinc/13/16/33/291131633.db2.gz OVBRLOIGJVBLSN-UHFFFAOYSA-N 2 2 293.415 0.105 20 0 CCADLP CSc1cc2c(cc1C[N@H+](C)C[C@@H](O)C[NH3+])OCCO2 ZINC000415072317 358124645 /nfs/dbraw/zinc/12/46/45/358124645.db2.gz WCUNDYKWGKTQQG-NSHDSACASA-N 2 2 298.408 0.931 20 0 CCADLP CSc1cc2c(cc1C[N@@H+](C)C[C@@H](O)C[NH3+])OCCO2 ZINC000415072317 358124649 /nfs/dbraw/zinc/12/46/49/358124649.db2.gz WCUNDYKWGKTQQG-NSHDSACASA-N 2 2 298.408 0.931 20 0 CCADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000417430148 358132765 /nfs/dbraw/zinc/13/27/65/358132765.db2.gz WXFQBJNAZGGDGJ-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000417430148 358132767 /nfs/dbraw/zinc/13/27/67/358132767.db2.gz WXFQBJNAZGGDGJ-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP O=C1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCN1CC(F)(F)F ZINC000420360205 358180596 /nfs/dbraw/zinc/18/05/96/358180596.db2.gz LLWNHDBZLIVYHM-SNVBAGLBSA-N 2 2 279.306 0.693 20 0 CCADLP O=C1C[N@H+](CC[C@H]2CC[NH2+]C2)CCN1CC(F)(F)F ZINC000420360205 358180602 /nfs/dbraw/zinc/18/06/02/358180602.db2.gz LLWNHDBZLIVYHM-SNVBAGLBSA-N 2 2 279.306 0.693 20 0 CCADLP c1ccc(NCC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)nc1 ZINC000423009179 358195984 /nfs/dbraw/zinc/19/59/84/358195984.db2.gz VCRCVUSVJJMIML-UKRRQHHQSA-N 2 2 276.384 0.850 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCCN(c2ccnn2C)C1 ZINC000423091932 358196482 /nfs/dbraw/zinc/19/64/82/358196482.db2.gz ZQMLMYJAHCILRE-HZSPNIEDSA-N 2 2 277.416 0.977 20 0 CCADLP COc1ncccc1CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423141727 358196701 /nfs/dbraw/zinc/19/67/01/358196701.db2.gz RMEAPSQQDAWTRG-GJZGRUSLSA-N 2 2 291.395 0.989 20 0 CCADLP c1ccc2c(c1)CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)CO2 ZINC000423541791 358201526 /nfs/dbraw/zinc/20/15/26/358201526.db2.gz AXJSKRKLJKPHHZ-KBPBESRZSA-N 2 2 262.353 0.958 20 0 CCADLP C[C@H](CNC(=O)C[C@H]1CC[NH2+]C1)Cn1cc[nH+]c1 ZINC000427293472 358218880 /nfs/dbraw/zinc/21/88/80/358218880.db2.gz BPIAYUOIPOYOBQ-VXGBXAGGSA-N 2 2 250.346 0.635 20 0 CCADLP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cn1cc[nH+]c1 ZINC000562274598 291141470 /nfs/dbraw/zinc/14/14/70/291141470.db2.gz BIRFVFFWKDDVEG-RYUDHWBXSA-N 2 2 250.346 0.682 20 0 CCADLP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)Cn1cc[nH+]c1 ZINC000562274598 291141473 /nfs/dbraw/zinc/14/14/73/291141473.db2.gz BIRFVFFWKDDVEG-RYUDHWBXSA-N 2 2 250.346 0.682 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCCN1C(=O)NC(C)(C)C1=O ZINC000430547183 358226930 /nfs/dbraw/zinc/22/69/30/358226930.db2.gz UIDPLBTVNDVLJJ-NSHDSACASA-N 2 2 282.388 0.391 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCCN1C(=O)NC(C)(C)C1=O ZINC000430547183 358226935 /nfs/dbraw/zinc/22/69/35/358226935.db2.gz UIDPLBTVNDVLJJ-NSHDSACASA-N 2 2 282.388 0.391 20 0 CCADLP O=C(C[N@H+](C1CC1)C1COC1)NC1CC[NH+](C2CC2)CC1 ZINC000451133446 358259209 /nfs/dbraw/zinc/25/92/09/358259209.db2.gz ZAWQQOREBTWACE-UHFFFAOYSA-N 2 2 293.411 0.593 20 0 CCADLP O=C(C[N@@H+](C1CC1)C1COC1)NC1CC[NH+](C2CC2)CC1 ZINC000451133446 358259212 /nfs/dbraw/zinc/25/92/12/358259212.db2.gz ZAWQQOREBTWACE-UHFFFAOYSA-N 2 2 293.411 0.593 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246148569 283359232 /nfs/dbraw/zinc/35/92/32/283359232.db2.gz LPRNLQNYRWEBOC-MNOVXSKESA-N 2 2 270.377 0.104 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246148569 283359235 /nfs/dbraw/zinc/35/92/35/283359235.db2.gz LPRNLQNYRWEBOC-MNOVXSKESA-N 2 2 270.377 0.104 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246148569 283359239 /nfs/dbraw/zinc/35/92/39/283359239.db2.gz LPRNLQNYRWEBOC-MNOVXSKESA-N 2 2 270.377 0.104 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246148569 283359243 /nfs/dbraw/zinc/35/92/43/283359243.db2.gz LPRNLQNYRWEBOC-MNOVXSKESA-N 2 2 270.377 0.104 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075861061 283361563 /nfs/dbraw/zinc/36/15/63/283361563.db2.gz OGGAVRSDUYNEQJ-RYUDHWBXSA-N 2 2 284.404 0.637 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075861061 283361567 /nfs/dbraw/zinc/36/15/67/283361567.db2.gz OGGAVRSDUYNEQJ-RYUDHWBXSA-N 2 2 284.404 0.637 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075861061 283361572 /nfs/dbraw/zinc/36/15/72/283361572.db2.gz OGGAVRSDUYNEQJ-RYUDHWBXSA-N 2 2 284.404 0.637 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075861061 283361576 /nfs/dbraw/zinc/36/15/76/283361576.db2.gz OGGAVRSDUYNEQJ-RYUDHWBXSA-N 2 2 284.404 0.637 20 0 CCADLP C[N@H+](CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)[C@H]1CCOC1 ZINC000496812274 358327931 /nfs/dbraw/zinc/32/79/31/358327931.db2.gz WSVRYXYNASJVHN-ZFWWWQNUSA-N 2 2 295.383 0.581 20 0 CCADLP C[N@@H+](CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)[C@H]1CCOC1 ZINC000496812274 358327932 /nfs/dbraw/zinc/32/79/32/358327932.db2.gz WSVRYXYNASJVHN-ZFWWWQNUSA-N 2 2 295.383 0.581 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000514854758 358336190 /nfs/dbraw/zinc/33/61/90/358336190.db2.gz KRAHGEKOFNFOTP-XQHKEYJVSA-N 2 2 274.430 0.930 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000515490841 358338765 /nfs/dbraw/zinc/33/87/65/358338765.db2.gz UQHQERHYCNKIJE-GJZGRUSLSA-N 3 2 269.433 0.621 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000515490841 358338767 /nfs/dbraw/zinc/33/87/67/358338767.db2.gz UQHQERHYCNKIJE-GJZGRUSLSA-N 3 2 269.433 0.621 20 0 CCADLP C[NH2+]C[C@](C)(O)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000515490841 358338769 /nfs/dbraw/zinc/33/87/69/358338769.db2.gz UQHQERHYCNKIJE-GJZGRUSLSA-N 3 2 269.433 0.621 20 0 CCADLP C[NH2+]C[C@](C)(O)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000515490841 358338770 /nfs/dbraw/zinc/33/87/70/358338770.db2.gz UQHQERHYCNKIJE-GJZGRUSLSA-N 3 2 269.433 0.621 20 0 CCADLP COc1ccnc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])n1 ZINC000567674522 358569359 /nfs/dbraw/zinc/56/93/59/358569359.db2.gz OSZOFUTXBUFDIK-GMTAPVOTSA-N 2 2 266.345 0.327 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2CSC2(C)C)C[C@@H](C)O1 ZINC000567707947 358574039 /nfs/dbraw/zinc/57/40/39/358574039.db2.gz GDNUPPUBERMACF-FDYHWXHSSA-N 2 2 288.457 0.940 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@]2(C)CO)n1C ZINC000567722468 358576727 /nfs/dbraw/zinc/57/67/27/358576727.db2.gz LMQIKWLHYFIHNR-CYBMUJFWSA-N 2 2 252.362 0.833 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1CC[NH+]1CCO[C@H](C)C1 ZINC000567724943 358577205 /nfs/dbraw/zinc/57/72/05/358577205.db2.gz GLUNECMZTKWXPG-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP CC[C@@H]1C[NH+](C)CCN1CC[N@@H+]1CCO[C@H](C)C1 ZINC000567724943 358577206 /nfs/dbraw/zinc/57/72/06/358577206.db2.gz GLUNECMZTKWXPG-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP CC[C@@H]1C[NH+](C)CCN1CC[N@H+]1CCO[C@H](C)C1 ZINC000567724943 358577208 /nfs/dbraw/zinc/57/72/08/358577208.db2.gz GLUNECMZTKWXPG-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP CC(C)[N@H+](C)CC1CC[NH+](Cc2nc(N)nc(N)n2)CC1 ZINC000533271987 358533521 /nfs/dbraw/zinc/53/35/21/358533521.db2.gz SZJQQOIZPPZACZ-UHFFFAOYSA-N 2 2 293.419 0.249 20 0 CCADLP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nc(N)nc(N)n2)CC1 ZINC000533271987 358533524 /nfs/dbraw/zinc/53/35/24/358533524.db2.gz SZJQQOIZPPZACZ-UHFFFAOYSA-N 2 2 293.419 0.249 20 0 CCADLP COc1ccc(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1F ZINC000567899716 358609902 /nfs/dbraw/zinc/60/99/02/358609902.db2.gz QWWUQXCTBKLXHM-LBPRGKRZSA-N 2 2 295.358 0.478 20 0 CCADLP COc1ccc(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1F ZINC000567899716 358609904 /nfs/dbraw/zinc/60/99/04/358609904.db2.gz QWWUQXCTBKLXHM-LBPRGKRZSA-N 2 2 295.358 0.478 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)C1 ZINC000567902323 358610016 /nfs/dbraw/zinc/61/00/16/358610016.db2.gz RSZGSBOPSXERMD-IHRRRGAJSA-N 2 2 282.432 0.208 20 0 CCADLP O=C(NCCn1cc[nH+]c1)[C@H]1CCc2c[nH+]cn2C1 ZINC000567975786 358619753 /nfs/dbraw/zinc/61/97/53/358619753.db2.gz CJBKTFVCGJYPSM-NSHDSACASA-N 2 2 259.313 0.458 20 0 CCADLP CCOC[C@@H](O)C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000567994955 358623745 /nfs/dbraw/zinc/62/37/45/358623745.db2.gz ZOFKUHCUNMSEOQ-AWEZNQCLSA-N 2 2 286.416 0.210 20 0 CCADLP OC1(CC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)CCC1 ZINC000574050248 334988092 /nfs/dbraw/zinc/98/80/92/334988092.db2.gz GQAHKXSETVEOLV-UHFFFAOYSA-N 2 2 250.346 0.837 20 0 CCADLP C[C@H](CC(=O)NCC[N@@H+]1CCOC[C@@H]1C)n1cc[nH+]c1 ZINC000568021330 358626116 /nfs/dbraw/zinc/62/61/16/358626116.db2.gz QKTZIDCHJWGYKX-OLZOCXBDSA-N 2 2 280.372 0.671 20 0 CCADLP C[C@H](CC(=O)NCC[N@H+]1CCOC[C@@H]1C)n1cc[nH+]c1 ZINC000568021330 358626120 /nfs/dbraw/zinc/62/61/20/358626120.db2.gz QKTZIDCHJWGYKX-OLZOCXBDSA-N 2 2 280.372 0.671 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000568050725 358628794 /nfs/dbraw/zinc/62/87/94/358628794.db2.gz CNFYJPOVFQQILI-KBPBESRZSA-N 3 2 257.422 0.763 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000568050725 358628797 /nfs/dbraw/zinc/62/87/97/358628797.db2.gz CNFYJPOVFQQILI-KBPBESRZSA-N 3 2 257.422 0.763 20 0 CCADLP C[NH2+]C[C@](C)(O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000568050725 358628799 /nfs/dbraw/zinc/62/87/99/358628799.db2.gz CNFYJPOVFQQILI-KBPBESRZSA-N 3 2 257.422 0.763 20 0 CCADLP C[NH2+]C[C@](C)(O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000568050725 358628802 /nfs/dbraw/zinc/62/88/02/358628802.db2.gz CNFYJPOVFQQILI-KBPBESRZSA-N 3 2 257.422 0.763 20 0 CCADLP Cc1[nH]c(CN[C@@H]2CCC[N@H+](CCCO)C2)[nH+]c1C ZINC000568273434 358661282 /nfs/dbraw/zinc/66/12/82/358661282.db2.gz RJLUUIWFLDNZCW-CYBMUJFWSA-N 2 2 266.389 0.963 20 0 CCADLP Cc1[nH]c(CN[C@@H]2CCC[N@@H+](CCCO)C2)[nH+]c1C ZINC000568273434 358661283 /nfs/dbraw/zinc/66/12/83/358661283.db2.gz RJLUUIWFLDNZCW-CYBMUJFWSA-N 2 2 266.389 0.963 20 0 CCADLP C[C@H](CNC(=O)[C@@]1(C)CCC[NH2+]1)Cn1cc[nH+]c1 ZINC000568515164 358681967 /nfs/dbraw/zinc/68/19/67/358681967.db2.gz HKBWUCGZWPNZNY-DGCLKSJQSA-N 2 2 250.346 0.778 20 0 CCADLP CCc1csc(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000568748693 358700610 /nfs/dbraw/zinc/70/06/10/358700610.db2.gz BCERKJZRKXRJET-LLVKDONJSA-N 2 2 282.413 0.349 20 0 CCADLP CCc1csc(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])n1 ZINC000568748693 358700613 /nfs/dbraw/zinc/70/06/13/358700613.db2.gz BCERKJZRKXRJET-LLVKDONJSA-N 2 2 282.413 0.349 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C[C@@H](C)O)C(C)C ZINC000569234676 358746358 /nfs/dbraw/zinc/74/63/58/358746358.db2.gz HFFCUMOSLKKKLB-CHWSQXEVSA-N 2 2 262.394 0.017 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C[C@@H](C)O)C(C)C ZINC000569234676 358746364 /nfs/dbraw/zinc/74/63/64/358746364.db2.gz HFFCUMOSLKKKLB-CHWSQXEVSA-N 2 2 262.394 0.017 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C[C@@H](C)O)C(C)C ZINC000569234676 358746369 /nfs/dbraw/zinc/74/63/69/358746369.db2.gz HFFCUMOSLKKKLB-CHWSQXEVSA-N 2 2 262.394 0.017 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C[C@@H](C)O)C(C)C ZINC000569234676 358746371 /nfs/dbraw/zinc/74/63/71/358746371.db2.gz HFFCUMOSLKKKLB-CHWSQXEVSA-N 2 2 262.394 0.017 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000569369386 358759393 /nfs/dbraw/zinc/75/93/93/358759393.db2.gz CWPYNEGRWUNYOQ-GFCCVEGCSA-N 2 2 253.390 0.929 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000569369386 358759396 /nfs/dbraw/zinc/75/93/96/358759396.db2.gz CWPYNEGRWUNYOQ-GFCCVEGCSA-N 2 2 253.390 0.929 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]C[C@H](O)Cc1cccc(F)c1)C1CC1 ZINC000568983441 358721962 /nfs/dbraw/zinc/72/19/62/358721962.db2.gz JSIZWFCFYALCTF-HZPDHXFCSA-N 2 2 296.386 0.774 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@H](O)Cc1cccc(F)c1)C1CC1 ZINC000568983441 358721966 /nfs/dbraw/zinc/72/19/66/358721966.db2.gz JSIZWFCFYALCTF-HZPDHXFCSA-N 2 2 296.386 0.774 20 0 CCADLP COCC[NH2+]C1CC[NH+](CCn2cccn2)CC1 ZINC000569031106 358728590 /nfs/dbraw/zinc/72/85/90/358728590.db2.gz YCQCEFMBGIDVGM-UHFFFAOYSA-N 2 2 252.362 0.584 20 0 CCADLP CC[C@@](C)(CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])OC ZINC000569204768 358742204 /nfs/dbraw/zinc/74/22/04/358742204.db2.gz SNDFDCAMBAPPEK-YPMHNXCESA-N 2 2 272.393 0.086 20 0 CCADLP CC[C@@](C)(CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])OC ZINC000569204768 358742207 /nfs/dbraw/zinc/74/22/07/358742207.db2.gz SNDFDCAMBAPPEK-YPMHNXCESA-N 2 2 272.393 0.086 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2C2CC2)[C@@H](C[NH3+])C1 ZINC000570029893 358815127 /nfs/dbraw/zinc/81/51/27/358815127.db2.gz RPSPVPSGLUXMRV-SDDRHHMPSA-N 2 2 252.362 0.069 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2C[C@H]2C2CC2)[C@@H](C[NH3+])C1 ZINC000570029893 358815129 /nfs/dbraw/zinc/81/51/29/358815129.db2.gz RPSPVPSGLUXMRV-SDDRHHMPSA-N 2 2 252.362 0.069 20 0 CCADLP CCc1nn(C)c(CC)c1CN1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000570044359 358816621 /nfs/dbraw/zinc/81/66/21/358816621.db2.gz HAXAPXRVVRXVCC-LBPRGKRZSA-N 2 2 279.432 0.620 20 0 CCADLP CCc1nn(C)c(CC)c1CN1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000570044359 358816625 /nfs/dbraw/zinc/81/66/25/358816625.db2.gz HAXAPXRVVRXVCC-LBPRGKRZSA-N 2 2 279.432 0.620 20 0 CCADLP COC(=O)COC[C@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000562667002 291162698 /nfs/dbraw/zinc/16/26/98/291162698.db2.gz CMFADTCZVPGZEN-NSHDSACASA-N 2 2 281.356 0.887 20 0 CCADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)[C@H]1OC ZINC000570626941 358875838 /nfs/dbraw/zinc/87/58/38/358875838.db2.gz OIVNVLPNLLOARB-XJFOESAGSA-N 2 2 272.389 0.224 20 0 CCADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)[C@H]1OC ZINC000570626941 358875841 /nfs/dbraw/zinc/87/58/41/358875841.db2.gz OIVNVLPNLLOARB-XJFOESAGSA-N 2 2 272.389 0.224 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000570981196 358900500 /nfs/dbraw/zinc/90/05/00/358900500.db2.gz HNUARDFWIXPINV-STQMWFEESA-N 2 2 286.416 0.963 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000570981196 358900502 /nfs/dbraw/zinc/90/05/02/358900502.db2.gz HNUARDFWIXPINV-STQMWFEESA-N 2 2 286.416 0.963 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000570981196 358900505 /nfs/dbraw/zinc/90/05/05/358900505.db2.gz HNUARDFWIXPINV-STQMWFEESA-N 2 2 286.416 0.963 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000570981196 358900508 /nfs/dbraw/zinc/90/05/08/358900508.db2.gz HNUARDFWIXPINV-STQMWFEESA-N 2 2 286.416 0.963 20 0 CCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2cccnc2)C1 ZINC000573438164 358966887 /nfs/dbraw/zinc/96/68/87/358966887.db2.gz CLSSEPDSLVJPDE-CQSZACIVSA-N 2 2 292.383 0.721 20 0 CCADLP COCC[N@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2cccnc2)C1 ZINC000573438164 358966891 /nfs/dbraw/zinc/96/68/91/358966891.db2.gz CLSSEPDSLVJPDE-CQSZACIVSA-N 2 2 292.383 0.721 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000573497418 358972455 /nfs/dbraw/zinc/97/24/55/358972455.db2.gz XRQVGCXWIBYFTO-UHFFFAOYSA-N 3 2 292.427 0.789 20 0 CCADLP O=C(NCC1CC[NH2+]CC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000573204769 358947494 /nfs/dbraw/zinc/94/74/94/358947494.db2.gz KNYXDUTZWVEAPX-UHFFFAOYSA-N 2 2 285.351 0.997 20 0 CCADLP Cc1ccc(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cn1 ZINC000573204813 358948032 /nfs/dbraw/zinc/94/80/32/358948032.db2.gz NICPOMAXVGQQQG-CYBMUJFWSA-N 2 2 262.357 0.034 20 0 CCADLP Cc1ccc(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cn1 ZINC000573204813 358948037 /nfs/dbraw/zinc/94/80/37/358948037.db2.gz NICPOMAXVGQQQG-CYBMUJFWSA-N 2 2 262.357 0.034 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCC(F)(F)F)C[C@@H](C)O1 ZINC000574151452 359032742 /nfs/dbraw/zinc/03/27/42/359032742.db2.gz MWYRLNOBHIQBFK-GMTAPVOTSA-N 2 2 284.322 0.999 20 0 CCADLP CC[N@H+](C)C[C@@H]1CC[NH+](CCNC(=O)NC(C)C)C1 ZINC000574153717 359033039 /nfs/dbraw/zinc/03/30/39/359033039.db2.gz NBHLABIOAJDJMF-ZDUSSCGKSA-N 2 2 270.421 0.968 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CCNC(=O)NC(C)C)C1 ZINC000574153717 359033041 /nfs/dbraw/zinc/03/30/41/359033041.db2.gz NBHLABIOAJDJMF-ZDUSSCGKSA-N 2 2 270.421 0.968 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@H+](CCNC(=O)NC(C)C)C1 ZINC000574153717 359033043 /nfs/dbraw/zinc/03/30/43/359033043.db2.gz NBHLABIOAJDJMF-ZDUSSCGKSA-N 2 2 270.421 0.968 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CCNC(=O)NC(C)C)C1 ZINC000574153717 359033046 /nfs/dbraw/zinc/03/30/46/359033046.db2.gz NBHLABIOAJDJMF-ZDUSSCGKSA-N 2 2 270.421 0.968 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@H](CO)C2CC2)C[C@@H](C)O1 ZINC000573967364 359016770 /nfs/dbraw/zinc/01/67/70/359016770.db2.gz VGEFQLHJSHOQDE-QHSBEEBCSA-N 2 2 286.416 0.065 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)CC[N@@H+]1CC(C)(C)O ZINC000579976803 359073123 /nfs/dbraw/zinc/07/31/23/359073123.db2.gz PNNIGVRBLMQZJW-CYBMUJFWSA-N 2 2 297.443 0.632 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)CC[N@H+]1CC(C)(C)O ZINC000579976803 359073127 /nfs/dbraw/zinc/07/31/27/359073127.db2.gz PNNIGVRBLMQZJW-CYBMUJFWSA-N 2 2 297.443 0.632 20 0 CCADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC000580025286 359075847 /nfs/dbraw/zinc/07/58/47/359075847.db2.gz OGYUCQMOMBEPPR-QWHCGFSZSA-N 2 2 262.357 0.826 20 0 CCADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC000580025286 359075848 /nfs/dbraw/zinc/07/58/48/359075848.db2.gz OGYUCQMOMBEPPR-QWHCGFSZSA-N 2 2 262.357 0.826 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000581019852 359121248 /nfs/dbraw/zinc/12/12/48/359121248.db2.gz NYEXCZWIGQRMDV-XJFOESAGSA-N 2 2 274.405 0.159 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000581019852 359121250 /nfs/dbraw/zinc/12/12/50/359121250.db2.gz NYEXCZWIGQRMDV-XJFOESAGSA-N 2 2 274.405 0.159 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000581019852 359121252 /nfs/dbraw/zinc/12/12/52/359121252.db2.gz NYEXCZWIGQRMDV-XJFOESAGSA-N 2 2 274.405 0.159 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000581019852 359121254 /nfs/dbraw/zinc/12/12/54/359121254.db2.gz NYEXCZWIGQRMDV-XJFOESAGSA-N 2 2 274.405 0.159 20 0 CCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000582290736 359129824 /nfs/dbraw/zinc/12/98/24/359129824.db2.gz ALDNIKQOFKTLHZ-QWHCGFSZSA-N 2 2 291.399 0.981 20 0 CCADLP CSC[C@H](O)C[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000562994071 291179112 /nfs/dbraw/zinc/17/91/12/291179112.db2.gz UQVSGYKEURFLFC-VXGBXAGGSA-N 2 2 262.419 0.268 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)CCCn1cc[nH+]c1 ZINC000591189466 359567446 /nfs/dbraw/zinc/56/74/46/359567446.db2.gz MEASDGOPINSAGG-UHFFFAOYSA-N 2 2 280.372 0.454 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)NCCC[NH+]1CCC(O)CC1 ZINC000492811657 237302929 /nfs/dbraw/zinc/30/29/29/237302929.db2.gz KYYHBJCVPHFIDS-NSCUHMNNSA-N 2 2 278.356 0.386 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000329296705 202271364 /nfs/dbraw/zinc/27/13/64/202271364.db2.gz TVDAEOYNSPPWIJ-CQSZACIVSA-N 2 2 292.383 0.666 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563149558 291199836 /nfs/dbraw/zinc/19/98/36/291199836.db2.gz LBLYOHYTDGHERK-CQSZACIVSA-N 2 2 282.388 0.298 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563149558 291199837 /nfs/dbraw/zinc/19/98/37/291199837.db2.gz LBLYOHYTDGHERK-CQSZACIVSA-N 2 2 282.388 0.298 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@H]2CCCC[C@@H]2O)C[C@H](C)O1 ZINC000563144564 291199081 /nfs/dbraw/zinc/19/90/81/291199081.db2.gz WVBWIEMTGFIFOZ-SEBNEYGDSA-N 2 2 286.416 0.350 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@H]2CCCC[C@@H]2O)C[C@H](C)O1 ZINC000563144564 291199082 /nfs/dbraw/zinc/19/90/82/291199082.db2.gz WVBWIEMTGFIFOZ-SEBNEYGDSA-N 2 2 286.416 0.350 20 0 CCADLP Cc1ncc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c(=O)[nH]1 ZINC000563153942 291199946 /nfs/dbraw/zinc/19/99/46/291199946.db2.gz GZQPSPZQRQWKJJ-MGPQQGTHSA-N 2 2 292.383 0.737 20 0 CCADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+](C)CCC[NH3+] ZINC000592474246 359851401 /nfs/dbraw/zinc/85/14/01/359851401.db2.gz JSKBYLAJMWDBSA-GFCCVEGCSA-N 2 2 285.388 0.211 20 0 CCADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC[NH3+] ZINC000592474246 359851404 /nfs/dbraw/zinc/85/14/04/359851404.db2.gz JSKBYLAJMWDBSA-GFCCVEGCSA-N 2 2 285.388 0.211 20 0 CCADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC2CC2)CC[C@H]1[NH3+] ZINC000592487883 359854410 /nfs/dbraw/zinc/85/44/10/359854410.db2.gz AMLKJDHOLJMGIX-CKYFFXLPSA-N 2 2 282.388 0.422 20 0 CCADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC2CC2)CC[C@H]1[NH3+] ZINC000592487883 359854413 /nfs/dbraw/zinc/85/44/13/359854413.db2.gz AMLKJDHOLJMGIX-CKYFFXLPSA-N 2 2 282.388 0.422 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cn[nH]c3)C2)CC1 ZINC000611269095 363698815 /nfs/dbraw/zinc/69/88/15/363698815.db2.gz PDIFNNGRKSCGJM-AWEZNQCLSA-N 2 2 263.389 0.622 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cn[nH]c3)C2)CC1 ZINC000611269095 363698824 /nfs/dbraw/zinc/69/88/24/363698824.db2.gz PDIFNNGRKSCGJM-AWEZNQCLSA-N 2 2 263.389 0.622 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@H](c2c[nH+]cn2C)N(C)C)CC[NH2+]1 ZINC000621158827 366661441 /nfs/dbraw/zinc/66/14/41/366661441.db2.gz YJZUCBOCZUCFBY-OCCSQVGLSA-N 2 2 293.415 0.479 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[NH2+]1 ZINC000621159776 366662673 /nfs/dbraw/zinc/66/26/73/366662673.db2.gz RTLKHEZLHQLXHQ-UPJWGTAASA-N 2 2 276.384 0.980 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccn[nH]2)CC1 ZINC000177115560 189029977 /nfs/dbraw/zinc/02/99/77/189029977.db2.gz FMRCVUNPXZWSIX-UHFFFAOYSA-N 2 2 265.361 0.166 20 0 CCADLP C[C@H](C[S@](C)=O)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000594500134 360323719 /nfs/dbraw/zinc/32/37/19/360323719.db2.gz LJBGTSDAZVGYKY-TVZGQMOCSA-N 2 2 288.457 0.986 20 0 CCADLP Cc1noc(C)c1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594736681 360369965 /nfs/dbraw/zinc/36/99/65/360369965.db2.gz JYPWAQUIEHGSIG-CMPLNLGQSA-N 2 2 264.329 0.035 20 0 CCADLP Cc1noc(C)c1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594736681 360369968 /nfs/dbraw/zinc/36/99/68/360369968.db2.gz JYPWAQUIEHGSIG-CMPLNLGQSA-N 2 2 264.329 0.035 20 0 CCADLP CC(C)n1cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cn1 ZINC000594737048 360371393 /nfs/dbraw/zinc/37/13/93/360371393.db2.gz XIYQCOBUDLIHSG-OLZOCXBDSA-N 2 2 277.372 0.208 20 0 CCADLP CC(C)n1cc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cn1 ZINC000594737048 360371394 /nfs/dbraw/zinc/37/13/94/360371394.db2.gz XIYQCOBUDLIHSG-OLZOCXBDSA-N 2 2 277.372 0.208 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000594922021 360415358 /nfs/dbraw/zinc/41/53/58/360415358.db2.gz OEFMPCPQUCJSLZ-AAVRWANBSA-N 2 2 284.400 0.742 20 0 CCADLP C[C@H](NC(=O)N(C)Cc1c[nH+]c[nH]1)[C@@H]1CCC[NH2+]C1 ZINC000563451796 291231417 /nfs/dbraw/zinc/23/14/17/291231417.db2.gz OUTHAFXEHVSWGL-WDEREUQCSA-N 2 2 265.361 0.939 20 0 CCADLP C[C@H](NC(=O)N(C)Cc1c[nH]c[nH+]1)[C@@H]1CCC[NH2+]C1 ZINC000563451796 291231420 /nfs/dbraw/zinc/23/14/20/291231420.db2.gz OUTHAFXEHVSWGL-WDEREUQCSA-N 2 2 265.361 0.939 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H](C2CC2)C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000563498200 291233201 /nfs/dbraw/zinc/23/32/01/291233201.db2.gz OHQPRJDIUYLVTM-UWVGGRQHSA-N 2 2 294.321 0.612 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H](C2CC2)C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000563498200 291233203 /nfs/dbraw/zinc/23/32/03/291233203.db2.gz OHQPRJDIUYLVTM-UWVGGRQHSA-N 2 2 294.321 0.612 20 0 CCADLP CCC[C@](C)([NH2+]C[C@H]1CCC2(C[NH2+]C2)O1)C(=O)OC ZINC000595890050 360691022 /nfs/dbraw/zinc/69/10/22/360691022.db2.gz BAEOLRJUFJHJNC-YPMHNXCESA-N 2 2 270.373 0.829 20 0 CCADLP CCOC(=O)C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000595894257 360694070 /nfs/dbraw/zinc/69/40/70/360694070.db2.gz WHVGUGGDNSRYCV-GFCCVEGCSA-N 2 2 256.346 0.250 20 0 CCADLP CCSC1(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000595945154 360723219 /nfs/dbraw/zinc/72/32/19/360723219.db2.gz RSGIXAFHOCVLED-SNVBAGLBSA-N 2 2 259.419 0.667 20 0 CCADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)CCC[NH3+])CC1 ZINC000178887557 189152704 /nfs/dbraw/zinc/15/27/04/189152704.db2.gz UQCJBWXFUUSZPR-UHFFFAOYSA-N 2 2 293.415 0.420 20 0 CCADLP COC(=O)Cc1cc[nH+]c(NCCCn2cc[nH+]c2)c1 ZINC000596050081 360781271 /nfs/dbraw/zinc/78/12/71/360781271.db2.gz ATRUGUFNZOLROC-UHFFFAOYSA-N 2 2 274.324 0.918 20 0 CCADLP COC(=O)Cc1cc[nH+]c(N(C)CC2C[NH+](C)C2)c1 ZINC000596455046 360900303 /nfs/dbraw/zinc/90/03/03/360900303.db2.gz ZAFKCXFWSWTCDI-UHFFFAOYSA-N 2 2 263.341 0.795 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000563636102 291244364 /nfs/dbraw/zinc/24/43/64/291244364.db2.gz KRWREQFWDODEMC-QWRGUYRKSA-N 2 2 250.346 0.751 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000563636102 291244366 /nfs/dbraw/zinc/24/43/66/291244366.db2.gz KRWREQFWDODEMC-QWRGUYRKSA-N 2 2 250.346 0.751 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000563636102 291244368 /nfs/dbraw/zinc/24/43/68/291244368.db2.gz KRWREQFWDODEMC-QWRGUYRKSA-N 2 2 250.346 0.751 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000563636102 291244370 /nfs/dbraw/zinc/24/43/70/291244370.db2.gz KRWREQFWDODEMC-QWRGUYRKSA-N 2 2 250.346 0.751 20 0 CCADLP C[C@H](C[NH2+]CCCCn1cc[nH+]c1)S(C)(=O)=O ZINC000563708919 291247414 /nfs/dbraw/zinc/24/74/14/291247414.db2.gz REQLGGUGGXPTSX-LLVKDONJSA-N 2 2 259.375 0.686 20 0 CCADLP CC[NH+]1CCC([NH2+][C@@H]2CCO[C@@H]2C(=O)OC)CC1 ZINC000597185355 361025398 /nfs/dbraw/zinc/02/53/98/361025398.db2.gz BFQUUGZELQSJNI-NEPJUHHUSA-N 2 2 256.346 0.391 20 0 CCADLP COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000597186746 361027027 /nfs/dbraw/zinc/02/70/27/361027027.db2.gz IARVJMUOFMSOAO-WDEREUQCSA-N 2 2 253.302 0.149 20 0 CCADLP CC(C)[NH+](CCCNC(=O)CN1CC[NH2+]CC1=O)C(C)C ZINC000563808753 291251681 /nfs/dbraw/zinc/25/16/81/291251681.db2.gz OVWIMISCTMMDCR-UHFFFAOYSA-N 2 2 298.431 0.043 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000563957303 291260935 /nfs/dbraw/zinc/26/09/35/291260935.db2.gz CKGVDRFJUGZBNX-HNNXBMFYSA-N 2 2 284.375 0.633 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000563957303 291260937 /nfs/dbraw/zinc/26/09/37/291260937.db2.gz CKGVDRFJUGZBNX-HNNXBMFYSA-N 2 2 284.375 0.633 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)CCCO1 ZINC000631828687 370694404 /nfs/dbraw/zinc/69/44/04/370694404.db2.gz VUCVEWDXHNJTIK-CHWSQXEVSA-N 2 2 267.373 0.189 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCN(C3CCC3)C2=O)CCCO1 ZINC000631828687 370694412 /nfs/dbraw/zinc/69/44/12/370694412.db2.gz VUCVEWDXHNJTIK-CHWSQXEVSA-N 2 2 267.373 0.189 20 0 CCADLP C[C@@H]1CC[N@H+](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000611751455 363776065 /nfs/dbraw/zinc/77/60/65/363776065.db2.gz WGFORRBWKVRRLN-OLZOCXBDSA-N 2 2 276.384 0.904 20 0 CCADLP C[C@@H]1CC[N@@H+](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000611751455 363776066 /nfs/dbraw/zinc/77/60/66/363776066.db2.gz WGFORRBWKVRRLN-OLZOCXBDSA-N 2 2 276.384 0.904 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC(C)(C)CC[C@H]1CO ZINC000621381109 366757199 /nfs/dbraw/zinc/75/71/99/366757199.db2.gz LLEYUKIHMXGSAX-QWHCGFSZSA-N 2 2 258.406 0.782 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC(C)(C)CC[C@H]1CO ZINC000621381109 366757204 /nfs/dbraw/zinc/75/72/04/366757204.db2.gz LLEYUKIHMXGSAX-QWHCGFSZSA-N 2 2 258.406 0.782 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC(C)(C)CC[C@H]1CO ZINC000621381109 366757210 /nfs/dbraw/zinc/75/72/10/366757210.db2.gz LLEYUKIHMXGSAX-QWHCGFSZSA-N 2 2 258.406 0.782 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC(C)(C)CC[C@H]1CO ZINC000621381109 366757214 /nfs/dbraw/zinc/75/72/14/366757214.db2.gz LLEYUKIHMXGSAX-QWHCGFSZSA-N 2 2 258.406 0.782 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC(C)(C)CC[C@@H]1CO ZINC000621381402 366757504 /nfs/dbraw/zinc/75/75/04/366757504.db2.gz SHDSKRWHVPFBDT-ZIAGYGMSSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC(C)(C)CC[C@@H]1CO ZINC000621381402 366757509 /nfs/dbraw/zinc/75/75/09/366757509.db2.gz SHDSKRWHVPFBDT-ZIAGYGMSSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC(C)(C)CC[C@@H]1CO ZINC000621381402 366757512 /nfs/dbraw/zinc/75/75/12/366757512.db2.gz SHDSKRWHVPFBDT-ZIAGYGMSSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC(C)(C)CC[C@@H]1CO ZINC000621381402 366757516 /nfs/dbraw/zinc/75/75/16/366757516.db2.gz SHDSKRWHVPFBDT-ZIAGYGMSSA-N 2 2 288.432 0.408 20 0 CCADLP CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000564360576 291277086 /nfs/dbraw/zinc/27/70/86/291277086.db2.gz CIXKZHCLUXGCGF-GFCCVEGCSA-N 2 2 262.357 0.658 20 0 CCADLP CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000564360576 291277092 /nfs/dbraw/zinc/27/70/92/291277092.db2.gz CIXKZHCLUXGCGF-GFCCVEGCSA-N 2 2 262.357 0.658 20 0 CCADLP C[C@H](C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)[NH+]1CCN(C)CC1 ZINC000564453097 291280482 /nfs/dbraw/zinc/28/04/82/291280482.db2.gz RDQDMOYGESFTGD-CBBWQLFWSA-N 2 2 294.443 0.208 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000599290450 361637010 /nfs/dbraw/zinc/63/70/10/361637010.db2.gz OWGXCPOEKNMOFF-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000599290450 361637014 /nfs/dbraw/zinc/63/70/14/361637014.db2.gz OWGXCPOEKNMOFF-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP CN1CC[NH+](C[C@H](O)CNCC2([NH+](C)C)CCCC2)CC1 ZINC000564651378 291290743 /nfs/dbraw/zinc/29/07/43/291290743.db2.gz IPXQXDYNKBAPMB-OAHLLOKOSA-N 2 2 298.475 0.059 20 0 CCADLP CN(C)C1(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CCCC1 ZINC000564651378 291290744 /nfs/dbraw/zinc/29/07/44/291290744.db2.gz IPXQXDYNKBAPMB-OAHLLOKOSA-N 2 2 298.475 0.059 20 0 CCADLP Cn1c2cc(C[NH2+]C3(CO)CC[NH2+]CC3)ccc2oc1=O ZINC000631829145 370696817 /nfs/dbraw/zinc/69/68/17/370696817.db2.gz ILZQVUKJQIVRFF-UHFFFAOYSA-N 2 2 291.351 0.336 20 0 CCADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H]2COC[C@H]2O)C1 ZINC000564666343 291292841 /nfs/dbraw/zinc/29/28/41/291292841.db2.gz IEKXOCYCJNASGH-RWMBFGLXSA-N 2 2 265.357 0.842 20 0 CCADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H]2COC[C@H]2O)C1 ZINC000564666343 291292844 /nfs/dbraw/zinc/29/28/44/291292844.db2.gz IEKXOCYCJNASGH-RWMBFGLXSA-N 2 2 265.357 0.842 20 0 CCADLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839853 370706217 /nfs/dbraw/zinc/70/62/17/370706217.db2.gz LRGHIFORRUKMAY-JIMOISOXSA-N 2 2 293.415 0.891 20 0 CCADLP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839853 370706222 /nfs/dbraw/zinc/70/62/22/370706222.db2.gz LRGHIFORRUKMAY-JIMOISOXSA-N 2 2 293.415 0.891 20 0 CCADLP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)[C@H](O)C(F)(F)F ZINC000564799255 291301598 /nfs/dbraw/zinc/30/15/98/291301598.db2.gz QJRYBAVFXUROBE-VWYCJHECSA-N 2 2 284.322 0.733 20 0 CCADLP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)[C@H](O)C(F)(F)F ZINC000564799255 291301601 /nfs/dbraw/zinc/30/16/01/291301601.db2.gz QJRYBAVFXUROBE-VWYCJHECSA-N 2 2 284.322 0.733 20 0 CCADLP CNC(=O)c1cccc(C[NH+]2CCC([NH2+]CCO)CC2)c1 ZINC000631864925 370724520 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286.441 0.885 20 0 CCADLP C(CN1CCOCC1)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631888926 370738488 /nfs/dbraw/zinc/73/84/88/370738488.db2.gz DIBHGEKYMKUWFG-CABCVRRESA-N 2 2 267.417 0.783 20 0 CCADLP C(CN1CCOCC1)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631888926 370738492 /nfs/dbraw/zinc/73/84/92/370738492.db2.gz DIBHGEKYMKUWFG-CABCVRRESA-N 2 2 267.417 0.783 20 0 CCADLP CCCCNC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631886737 370738627 /nfs/dbraw/zinc/73/86/27/370738627.db2.gz LXPJLBTWTAPHGC-STQMWFEESA-N 2 2 253.390 0.977 20 0 CCADLP CCCCNC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631886737 370738631 /nfs/dbraw/zinc/73/86/31/370738631.db2.gz LXPJLBTWTAPHGC-STQMWFEESA-N 2 2 253.390 0.977 20 0 CCADLP [NH3+][C@]12CCC[C@H]1CN(C(=O)c1ccc(-n3cc[nH+]c3)nn1)C2 ZINC000621693535 366839528 /nfs/dbraw/zinc/83/95/28/366839528.db2.gz XMPDGQHCOULTQL-NHYWBVRUSA-N 2 2 298.350 0.616 20 0 CCADLP CCn1nccc1CC[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000621775306 366863775 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O=C(NCC[N@H+]1CC=CCC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000614261036 364551728 /nfs/dbraw/zinc/55/17/28/364551728.db2.gz SKTCAYJBMSVZDQ-GFCCVEGCSA-N 2 2 274.368 0.893 20 0 CCADLP O=C(NCC[N@@H+]1CC=CCC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000614261036 364551733 /nfs/dbraw/zinc/55/17/33/364551733.db2.gz SKTCAYJBMSVZDQ-GFCCVEGCSA-N 2 2 274.368 0.893 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000335647621 212364021 /nfs/dbraw/zinc/36/40/21/212364021.db2.gz OVBQTVOKFDIZME-NSHDSACASA-N 2 2 265.361 0.665 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000335643072 212359826 /nfs/dbraw/zinc/35/98/26/212359826.db2.gz MMMRWHRLAUOSIS-WCQYABFASA-N 2 2 283.351 0.615 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000564941462 291322019 /nfs/dbraw/zinc/32/20/19/291322019.db2.gz APWQLAZZYXPIBJ-SWLSCSKDSA-N 2 2 299.415 0.505 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000564941462 291322022 /nfs/dbraw/zinc/32/20/22/291322022.db2.gz APWQLAZZYXPIBJ-SWLSCSKDSA-N 2 2 299.415 0.505 20 0 CCADLP C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]c[nH]c4C3)[C@@H]2C1 ZINC000615182675 364873412 /nfs/dbraw/zinc/87/34/12/364873412.db2.gz LKCSQUZCZBVBPL-UHIISALHSA-N 2 2 274.368 0.677 20 0 CCADLP C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]c[nH]c4C3)[C@@H]2C1 ZINC000615182675 364873417 /nfs/dbraw/zinc/87/34/17/364873417.db2.gz LKCSQUZCZBVBPL-UHIISALHSA-N 2 2 274.368 0.677 20 0 CCADLP C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH]c[nH+]c4C3)[C@@H]2C1 ZINC000615182675 364873424 /nfs/dbraw/zinc/87/34/24/364873424.db2.gz LKCSQUZCZBVBPL-UHIISALHSA-N 2 2 274.368 0.677 20 0 CCADLP C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH]c[nH+]c4C3)[C@@H]2C1 ZINC000615182675 364873428 /nfs/dbraw/zinc/87/34/28/364873428.db2.gz LKCSQUZCZBVBPL-UHIISALHSA-N 2 2 274.368 0.677 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000615303985 364913101 /nfs/dbraw/zinc/91/31/01/364913101.db2.gz JVQNMDJNLZPEJG-ZYHUDNBSSA-N 2 2 250.346 0.812 20 0 CCADLP C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)Cn1cc[nH+]c1 ZINC000615262590 364898150 /nfs/dbraw/zinc/89/81/50/364898150.db2.gz GRHHJVXATBPKMT-CHWSQXEVSA-N 2 2 278.356 0.205 20 0 CCADLP C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)Cn1cc[nH+]c1 ZINC000615262590 364898152 /nfs/dbraw/zinc/89/81/52/364898152.db2.gz GRHHJVXATBPKMT-CHWSQXEVSA-N 2 2 278.356 0.205 20 0 CCADLP CC[C@H](O)[C@H](CC)[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000564975782 291328924 /nfs/dbraw/zinc/32/89/24/291328924.db2.gz MSQRNSNBELDZQM-YTFOTSKYSA-N 2 2 288.432 0.596 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC1(CS(C)(=O)=O)CC1 ZINC000564987909 291331567 /nfs/dbraw/zinc/33/15/67/291331567.db2.gz VYBCZPSEEPYDOB-GHMZBOCLSA-N 2 2 260.403 0.480 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC1(CS(C)(=O)=O)CC1 ZINC000564987909 291331569 /nfs/dbraw/zinc/33/15/69/291331569.db2.gz VYBCZPSEEPYDOB-GHMZBOCLSA-N 2 2 260.403 0.480 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000565032595 291338378 /nfs/dbraw/zinc/33/83/78/291338378.db2.gz HVWNMUUZFODBAU-RISCZKNCSA-N 2 2 260.341 0.516 20 0 CCADLP CN(Cc1cnn(C)c1)C(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000565047714 291340354 /nfs/dbraw/zinc/34/03/54/291340354.db2.gz WGFDWYAAZGINNK-UHFFFAOYSA-N 2 2 281.404 0.295 20 0 CCADLP CN(Cc1cnn(C)c1)C(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000565047714 291340356 /nfs/dbraw/zinc/34/03/56/291340356.db2.gz WGFDWYAAZGINNK-UHFFFAOYSA-N 2 2 281.404 0.295 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]c[nH]c4C3)C[C@@H]21 ZINC000615849350 365107922 /nfs/dbraw/zinc/10/79/22/365107922.db2.gz IFOYAALLYLOYAJ-GYSYKLTISA-N 2 2 274.368 0.677 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]c[nH]c4C3)C[C@@H]21 ZINC000615849350 365107928 /nfs/dbraw/zinc/10/79/28/365107928.db2.gz IFOYAALLYLOYAJ-GYSYKLTISA-N 2 2 274.368 0.677 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH]c[nH+]c4C3)C[C@@H]21 ZINC000615849350 365107933 /nfs/dbraw/zinc/10/79/33/365107933.db2.gz IFOYAALLYLOYAJ-GYSYKLTISA-N 2 2 274.368 0.677 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH]c[nH+]c4C3)C[C@@H]21 ZINC000615849350 365107938 /nfs/dbraw/zinc/10/79/38/365107938.db2.gz IFOYAALLYLOYAJ-GYSYKLTISA-N 2 2 274.368 0.677 20 0 CCADLP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000275547860 193073067 /nfs/dbraw/zinc/07/30/67/193073067.db2.gz RVVRHCZAQRNJDW-WDEREUQCSA-N 2 2 266.320 0.816 20 0 CCADLP O=C(C[C@@H]1C[NH2+]CCO1)NCCCNc1cccc[nH+]1 ZINC000165240803 283861895 /nfs/dbraw/zinc/86/18/95/283861895.db2.gz PENZAINGPYOHSA-GFCCVEGCSA-N 2 2 278.356 0.378 20 0 CCADLP CCS(=O)(=O)NCCC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621784470 366868050 /nfs/dbraw/zinc/86/80/50/366868050.db2.gz PMKPJWPWXHAAIB-NWDGAFQWSA-N 2 2 275.418 0.129 20 0 CCADLP CCS(=O)(=O)NCCC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621784470 366868052 /nfs/dbraw/zinc/86/80/52/366868052.db2.gz PMKPJWPWXHAAIB-NWDGAFQWSA-N 2 2 275.418 0.129 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)C(C)(C)CO)CC1 ZINC000565185190 291354232 /nfs/dbraw/zinc/35/42/32/291354232.db2.gz GMEMYOGHOHMVDT-UHFFFAOYSA-N 2 2 271.405 0.147 20 0 CCADLP C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000621959684 366948962 /nfs/dbraw/zinc/94/89/62/366948962.db2.gz CBJGTICIESVYJR-IUODEOHRSA-N 2 2 294.399 0.264 20 0 CCADLP C[NH+](C)C1CC(NC(=O)C(C)(C)c2c[nH]c[nH+]2)C1 ZINC000622008542 366979085 /nfs/dbraw/zinc/97/90/85/366979085.db2.gz SBEKZPIUXYYFRI-UHFFFAOYSA-N 2 2 250.346 0.896 20 0 CCADLP CCOC(=O)c1ccc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])o1 ZINC000565302294 291370063 /nfs/dbraw/zinc/37/00/63/291370063.db2.gz BMPBVZQXRHGCNB-NSHDSACASA-N 2 2 281.356 0.531 20 0 CCADLP CCOC(=O)c1ccc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])o1 ZINC000565302294 291370065 /nfs/dbraw/zinc/37/00/65/291370065.db2.gz BMPBVZQXRHGCNB-NSHDSACASA-N 2 2 281.356 0.531 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000335556936 212262651 /nfs/dbraw/zinc/26/26/51/212262651.db2.gz GCWKACJSCVMNHU-GFCCVEGCSA-N 2 2 262.357 0.610 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2c[nH]c[nH+]2)C1 ZINC000622104799 367030505 /nfs/dbraw/zinc/03/05/05/367030505.db2.gz GHVDRJHFGMSLQP-SNVBAGLBSA-N 2 2 250.346 0.898 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2c[nH]c[nH+]2)C1 ZINC000622104799 367030509 /nfs/dbraw/zinc/03/05/09/367030509.db2.gz GHVDRJHFGMSLQP-SNVBAGLBSA-N 2 2 250.346 0.898 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000622104799 367030514 /nfs/dbraw/zinc/03/05/14/367030514.db2.gz GHVDRJHFGMSLQP-SNVBAGLBSA-N 2 2 250.346 0.898 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000622104799 367030521 /nfs/dbraw/zinc/03/05/21/367030521.db2.gz GHVDRJHFGMSLQP-SNVBAGLBSA-N 2 2 250.346 0.898 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000622303556 367108389 /nfs/dbraw/zinc/10/83/89/367108389.db2.gz OVCBGKBTRJHIMN-UHFFFAOYSA-N 2 2 273.340 0.969 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC2(CC2(F)F)C1 ZINC000656153877 412752405 /nfs/dbraw/zinc/75/24/05/412752405.db2.gz DNEYUGSPEOCRAT-SNVBAGLBSA-N 2 2 264.316 0.267 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC2(CC2(F)F)C1 ZINC000656153877 412752409 /nfs/dbraw/zinc/75/24/09/412752409.db2.gz DNEYUGSPEOCRAT-SNVBAGLBSA-N 2 2 264.316 0.267 20 0 CCADLP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000623178929 367467553 /nfs/dbraw/zinc/46/75/53/367467553.db2.gz NNOIDCWWYBVPBN-BXUZGUMPSA-N 2 2 280.347 0.606 20 0 CCADLP CCn1cncc1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000623086972 367446358 /nfs/dbraw/zinc/44/63/58/367446358.db2.gz VLQDSGJVKYHZFH-UHFFFAOYSA-N 2 2 279.432 0.972 20 0 CCADLP CCn1cncc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000623086972 367446371 /nfs/dbraw/zinc/44/63/71/367446371.db2.gz VLQDSGJVKYHZFH-UHFFFAOYSA-N 2 2 279.432 0.972 20 0 CCADLP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623176031 367462815 /nfs/dbraw/zinc/46/28/15/367462815.db2.gz ARXLASUJMABGCY-LLVKDONJSA-N 2 2 264.373 0.889 20 0 CCADLP [NH3+]CC[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C(F)(F)F ZINC000623178699 367465621 /nfs/dbraw/zinc/46/56/21/367465621.db2.gz AJLPHPVHUOPNPD-DTWKUNHWSA-N 2 2 290.289 0.841 20 0 CCADLP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000623177713 367465933 /nfs/dbraw/zinc/46/59/33/367465933.db2.gz LFRMCUSUIJXKCE-UTUOFQBUSA-N 2 2 262.357 0.832 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H](C)C[NH2+]1 ZINC000623177243 367465983 /nfs/dbraw/zinc/46/59/83/367465983.db2.gz NUATUDGVVUOXOT-UTUOFQBUSA-N 2 2 262.357 0.654 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1nccs1 ZINC000623618289 367605043 /nfs/dbraw/zinc/60/50/43/367605043.db2.gz LHKNCOLXBBVEAU-JTQLQIEISA-N 2 2 268.386 0.573 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1nccs1 ZINC000623618289 367605049 /nfs/dbraw/zinc/60/50/49/367605049.db2.gz LHKNCOLXBBVEAU-JTQLQIEISA-N 2 2 268.386 0.573 20 0 CCADLP Cn1nccc1[C@H](CO)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623547688 367590969 /nfs/dbraw/zinc/59/09/69/367590969.db2.gz YDEFTHINXGVIDW-RYUDHWBXSA-N 2 2 266.389 0.916 20 0 CCADLP Cn1nccc1[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623547688 367590971 /nfs/dbraw/zinc/59/09/71/367590971.db2.gz YDEFTHINXGVIDW-RYUDHWBXSA-N 2 2 266.389 0.916 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000623633474 367612282 /nfs/dbraw/zinc/61/22/82/367612282.db2.gz RFGGBPXAOHZLRW-ZIAGYGMSSA-N 2 2 296.415 0.101 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000623633474 367612289 /nfs/dbraw/zinc/61/22/89/367612289.db2.gz RFGGBPXAOHZLRW-ZIAGYGMSSA-N 2 2 296.415 0.101 20 0 CCADLP C[NH+]1CCOC[C@H]1CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000623633474 367612296 /nfs/dbraw/zinc/61/22/96/367612296.db2.gz RFGGBPXAOHZLRW-ZIAGYGMSSA-N 2 2 296.415 0.101 20 0 CCADLP C[NH+]1CCOC[C@H]1CNC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000623633474 367612305 /nfs/dbraw/zinc/61/23/05/367612305.db2.gz RFGGBPXAOHZLRW-ZIAGYGMSSA-N 2 2 296.415 0.101 20 0 CCADLP O[C@@H]1CC[N@H+](CC[NH2+]Cc2ccccc2-n2cncn2)C1 ZINC000623758069 367647047 /nfs/dbraw/zinc/64/70/47/367647047.db2.gz OGULVQDOBRQXLD-CQSZACIVSA-N 2 2 287.367 0.424 20 0 CCADLP O[C@@H]1CC[N@@H+](CC[NH2+]Cc2ccccc2-n2cncn2)C1 ZINC000623758069 367647050 /nfs/dbraw/zinc/64/70/50/367647050.db2.gz OGULVQDOBRQXLD-CQSZACIVSA-N 2 2 287.367 0.424 20 0 CCADLP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623716280 367631973 /nfs/dbraw/zinc/63/19/73/367631973.db2.gz LIWDEWBBMOAZQW-OLZOCXBDSA-N 2 2 286.420 0.347 20 0 CCADLP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623716280 367631975 /nfs/dbraw/zinc/63/19/75/367631975.db2.gz LIWDEWBBMOAZQW-OLZOCXBDSA-N 2 2 286.420 0.347 20 0 CCADLP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000623719128 367632802 /nfs/dbraw/zinc/63/28/02/367632802.db2.gz HTYQTUCTJCXTIN-KGLIPLIRSA-N 2 2 298.431 0.348 20 0 CCADLP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000623719128 367632807 /nfs/dbraw/zinc/63/28/07/367632807.db2.gz HTYQTUCTJCXTIN-KGLIPLIRSA-N 2 2 298.431 0.348 20 0 CCADLP CCC[NH+]1CC[C@H](CNC(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000623719128 367632811 /nfs/dbraw/zinc/63/28/11/367632811.db2.gz HTYQTUCTJCXTIN-KGLIPLIRSA-N 2 2 298.431 0.348 20 0 CCADLP CCC[NH+]1CC[C@H](CNC(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000623719128 367632814 /nfs/dbraw/zinc/63/28/14/367632814.db2.gz HTYQTUCTJCXTIN-KGLIPLIRSA-N 2 2 298.431 0.348 20 0 CCADLP Nc1nc(N)[nH+]c(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000624055647 367738954 /nfs/dbraw/zinc/73/89/54/367738954.db2.gz KZBAUXSGJAXYRI-MWLCHTKSSA-N 2 2 289.387 0.150 20 0 CCADLP Nc1nc(N)[nH+]c(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000624055647 367738957 /nfs/dbraw/zinc/73/89/57/367738957.db2.gz KZBAUXSGJAXYRI-MWLCHTKSSA-N 2 2 289.387 0.150 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)[C@H]1CCCCO1 ZINC000624087097 367748800 /nfs/dbraw/zinc/74/88/00/367748800.db2.gz HMMNWKORGGPXKX-MELADBBJSA-N 2 2 283.416 0.873 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)[C@H]1CCCCO1 ZINC000624087097 367748809 /nfs/dbraw/zinc/74/88/09/367748809.db2.gz HMMNWKORGGPXKX-MELADBBJSA-N 2 2 283.416 0.873 20 0 CCADLP CC(C)N(CC[NH+](C)C)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632130281 370881859 /nfs/dbraw/zinc/88/18/59/370881859.db2.gz DYONDHPGUQQTOS-UHFFFAOYSA-N 2 2 291.461 0.682 20 0 CCADLP C[N@@H+]1CC[C@@H]([NH+]2CCO[C@@H](CC(N)=O)C2)CC1(C)C ZINC000624250722 367807067 /nfs/dbraw/zinc/80/70/67/367807067.db2.gz ASZISQLBLQMBGC-NEPJUHHUSA-N 2 2 269.389 0.435 20 0 CCADLP C[N@H+]1CC[C@@H]([NH+]2CCO[C@@H](CC(N)=O)C2)CC1(C)C ZINC000624250722 367807071 /nfs/dbraw/zinc/80/70/71/367807071.db2.gz ASZISQLBLQMBGC-NEPJUHHUSA-N 2 2 269.389 0.435 20 0 CCADLP C[NH+]1CC[C@@H]([N@@H+]2CCO[C@@H](CC(N)=O)C2)CC1(C)C ZINC000624250722 367807076 /nfs/dbraw/zinc/80/70/76/367807076.db2.gz ASZISQLBLQMBGC-NEPJUHHUSA-N 2 2 269.389 0.435 20 0 CCADLP C[NH+]1CC[C@@H]([N@H+]2CCO[C@@H](CC(N)=O)C2)CC1(C)C ZINC000624250722 367807081 /nfs/dbraw/zinc/80/70/81/367807081.db2.gz ASZISQLBLQMBGC-NEPJUHHUSA-N 2 2 269.389 0.435 20 0 CCADLP O[C@@H]1CC[N@H+](CCNc2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000624679092 367952590 /nfs/dbraw/zinc/95/25/90/367952590.db2.gz UIIVQTNOKGKWKV-CYBMUJFWSA-N 2 2 291.399 0.945 20 0 CCADLP O[C@@H]1CC[N@@H+](CCNc2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000624679092 367952596 /nfs/dbraw/zinc/95/25/96/367952596.db2.gz UIIVQTNOKGKWKV-CYBMUJFWSA-N 2 2 291.399 0.945 20 0 CCADLP COc1cncc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)n1 ZINC000625508818 368226506 /nfs/dbraw/zinc/22/65/06/368226506.db2.gz IIAWHWRYQWTLMG-UHFFFAOYSA-N 2 2 292.383 0.782 20 0 CCADLP COc1cncc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)n1 ZINC000625508818 368226510 /nfs/dbraw/zinc/22/65/10/368226510.db2.gz IIAWHWRYQWTLMG-UHFFFAOYSA-N 2 2 292.383 0.782 20 0 CCADLP Cn1c[nH+]cc1CN1CCC([NH+]2CCOCC2)CC1 ZINC000625550270 368241592 /nfs/dbraw/zinc/24/15/92/368241592.db2.gz UUQRAOVVKRRANJ-UHFFFAOYSA-N 2 2 264.373 0.717 20 0 CCADLP CC(C)(CNC(=O)C[NH+](C1CC1)C1CC1)[NH+]1CCOCC1 ZINC000625833484 368339942 /nfs/dbraw/zinc/33/99/42/368339942.db2.gz AFTOMAKVHMZFFO-UHFFFAOYSA-N 2 2 295.427 0.840 20 0 CCADLP [NH3+]C1(CNC(=O)Nc2ccn3cc[nH+]c3c2)CCOCC1 ZINC000625884987 368356515 /nfs/dbraw/zinc/35/65/15/368356515.db2.gz MMBBPNUYRKXRCN-UHFFFAOYSA-N 2 2 289.339 0.964 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCO[C@H](CC(N)=O)C1 ZINC000626081487 368433045 /nfs/dbraw/zinc/43/30/45/368433045.db2.gz FZISIIQTJUFVJQ-CHWSQXEVSA-N 2 2 269.389 0.437 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCO[C@H](CC(N)=O)C1 ZINC000626081487 368433049 /nfs/dbraw/zinc/43/30/49/368433049.db2.gz FZISIIQTJUFVJQ-CHWSQXEVSA-N 2 2 269.389 0.437 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626081487 368433050 /nfs/dbraw/zinc/43/30/50/368433050.db2.gz FZISIIQTJUFVJQ-CHWSQXEVSA-N 2 2 269.389 0.437 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626081487 368433053 /nfs/dbraw/zinc/43/30/53/368433053.db2.gz FZISIIQTJUFVJQ-CHWSQXEVSA-N 2 2 269.389 0.437 20 0 CCADLP O=C(NCC[N@H+]1CC[C@H](O)C1)Nc1ccc2[nH+]ccn2c1 ZINC000626393723 368534546 /nfs/dbraw/zinc/53/45/46/368534546.db2.gz DFLORBPWMYVINE-LBPRGKRZSA-N 2 2 289.339 0.522 20 0 CCADLP O=C(NCC[N@@H+]1CC[C@H](O)C1)Nc1ccc2[nH+]ccn2c1 ZINC000626393723 368534548 /nfs/dbraw/zinc/53/45/48/368534548.db2.gz DFLORBPWMYVINE-LBPRGKRZSA-N 2 2 289.339 0.522 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000626940188 368690870 /nfs/dbraw/zinc/69/08/70/368690870.db2.gz UJTPJWAGQZOUEH-GRYCIOLGSA-N 2 2 265.361 0.711 20 0 CCADLP C[C@H]1CC[C@@H](NC(=O)NCC[N@@H+]2CCOCC2(C)C)C[NH2+]1 ZINC000626969553 368702350 /nfs/dbraw/zinc/70/23/50/368702350.db2.gz YMJMLBJELZGKAA-QWHCGFSZSA-N 2 2 298.431 0.537 20 0 CCADLP C[C@H]1CC[C@@H](NC(=O)NCC[N@H+]2CCOCC2(C)C)C[NH2+]1 ZINC000626969553 368702357 /nfs/dbraw/zinc/70/23/57/368702357.db2.gz YMJMLBJELZGKAA-QWHCGFSZSA-N 2 2 298.431 0.537 20 0 CCADLP CCN(CC[NH3+])C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000626970264 368703716 /nfs/dbraw/zinc/70/37/16/368703716.db2.gz IVBADWZJPOYASE-VXGBXAGGSA-N 2 2 272.393 0.086 20 0 CCADLP C[C@@H](CNC(=O)N[C@@H]1CC[NH2+]C12CCC2)[NH+]1CCOCC1 ZINC000626933540 368684484 /nfs/dbraw/zinc/68/44/84/368684484.db2.gz MEVBWRILWWOGGX-QWHCGFSZSA-N 2 2 296.415 0.291 20 0 CCADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)CCC[NH+](C)C ZINC000632174313 370905479 /nfs/dbraw/zinc/90/54/79/370905479.db2.gz WOHLHFNVFFBKIN-NWDGAFQWSA-N 2 2 277.434 0.292 20 0 CCADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)CCC[NH+](C)C ZINC000632174313 370905481 /nfs/dbraw/zinc/90/54/81/370905481.db2.gz WOHLHFNVFFBKIN-NWDGAFQWSA-N 2 2 277.434 0.292 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NCC1([NH3+])CCCCCC1 ZINC000627063248 368765584 /nfs/dbraw/zinc/76/55/84/368765584.db2.gz PLIZGEKPIWQMKF-CYBMUJFWSA-N 2 2 298.431 0.668 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)NCC1([NH3+])CCCCCC1 ZINC000627063248 368765589 /nfs/dbraw/zinc/76/55/89/368765589.db2.gz PLIZGEKPIWQMKF-CYBMUJFWSA-N 2 2 298.431 0.668 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NCC1([NH3+])CCCCC1 ZINC000627067433 368767836 /nfs/dbraw/zinc/76/78/36/368767836.db2.gz DBAOYYYZWKXAFD-GFCCVEGCSA-N 2 2 284.404 0.278 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)NCC1([NH3+])CCCCC1 ZINC000627067433 368767840 /nfs/dbraw/zinc/76/78/40/368767840.db2.gz DBAOYYYZWKXAFD-GFCCVEGCSA-N 2 2 284.404 0.278 20 0 CCADLP CCN(CC[NH3+])C(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000627051854 368757386 /nfs/dbraw/zinc/75/73/86/368757386.db2.gz IFVQDQASSVEHPQ-NXEZZACHSA-N 2 2 251.334 0.879 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627248715 368913804 /nfs/dbraw/zinc/91/38/04/368913804.db2.gz XZZYRISAGYFOFO-CYBMUJFWSA-N 3 2 297.447 0.016 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627248715 368913809 /nfs/dbraw/zinc/91/38/09/368913809.db2.gz XZZYRISAGYFOFO-CYBMUJFWSA-N 3 2 297.447 0.016 20 0 CCADLP [NH3+]CCCOCCNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000627213704 368885396 /nfs/dbraw/zinc/88/53/96/368885396.db2.gz OKZBPCXCIDNIHO-GFCCVEGCSA-N 2 2 295.387 0.664 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000627241643 368905482 /nfs/dbraw/zinc/90/54/82/368905482.db2.gz IGJDTRXIDURMSX-SDDRHHMPSA-N 2 2 277.372 0.669 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCC(CC[NH3+])CC1 ZINC000627182428 368851446 /nfs/dbraw/zinc/85/14/46/368851446.db2.gz ANUJQNUIMRXKBX-ZDUSSCGKSA-N 2 2 284.404 0.087 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCC(CC[NH3+])CC1 ZINC000627182428 368851448 /nfs/dbraw/zinc/85/14/48/368851448.db2.gz ANUJQNUIMRXKBX-ZDUSSCGKSA-N 2 2 284.404 0.087 20 0 CCADLP C[C@H](CC(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1)n1cc[nH+]c1 ZINC000627271271 368939314 /nfs/dbraw/zinc/93/93/14/368939314.db2.gz TXHLUBLJYNQKDV-MCIONIFRSA-N 2 2 292.383 0.502 20 0 CCADLP C[C@H](CC(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1)n1cc[nH+]c1 ZINC000627271271 368939318 /nfs/dbraw/zinc/93/93/18/368939318.db2.gz TXHLUBLJYNQKDV-MCIONIFRSA-N 2 2 292.383 0.502 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[C@@H]3C[N@@H+](C)C[C@@H]31)CC2 ZINC000627488070 369020558 /nfs/dbraw/zinc/02/05/58/369020558.db2.gz QTLZRSKFLAOCRD-MCIONIFRSA-N 2 2 288.395 0.916 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[C@@H]3C[N@H+](C)C[C@@H]31)CC2 ZINC000627488070 369020562 /nfs/dbraw/zinc/02/05/62/369020562.db2.gz QTLZRSKFLAOCRD-MCIONIFRSA-N 2 2 288.395 0.916 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[C@@H]3C[N@@H+](C)C[C@H]31)CC2 ZINC000627488071 369021443 /nfs/dbraw/zinc/02/14/43/369021443.db2.gz QTLZRSKFLAOCRD-MGPQQGTHSA-N 2 2 288.395 0.916 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[C@@H]3C[N@H+](C)C[C@H]31)CC2 ZINC000627488071 369021447 /nfs/dbraw/zinc/02/14/47/369021447.db2.gz QTLZRSKFLAOCRD-MGPQQGTHSA-N 2 2 288.395 0.916 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627656259 369069441 /nfs/dbraw/zinc/06/94/41/369069441.db2.gz ZSQAZPSEYSOMCX-XEZLXBQYSA-N 2 2 262.357 0.607 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627656259 369069446 /nfs/dbraw/zinc/06/94/46/369069446.db2.gz ZSQAZPSEYSOMCX-XEZLXBQYSA-N 2 2 262.357 0.607 20 0 CCADLP CCC[N@H+](C)CC(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000627932598 369137918 /nfs/dbraw/zinc/13/79/18/369137918.db2.gz XSOCMOLYZPNJKV-UHFFFAOYSA-N 2 2 269.389 0.308 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000627932598 369137924 /nfs/dbraw/zinc/13/79/24/369137924.db2.gz XSOCMOLYZPNJKV-UHFFFAOYSA-N 2 2 269.389 0.308 20 0 CCADLP NC(=O)C1([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000656254869 412775597 /nfs/dbraw/zinc/77/55/97/412775597.db2.gz FMWOTZOZFXMBKB-LBPRGKRZSA-N 2 2 267.373 0.237 20 0 CCADLP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CC(F)(F)C[NH2+]1 ZINC000334656487 284125568 /nfs/dbraw/zinc/12/55/68/284125568.db2.gz YWVVWJOZIGABLZ-RNFRBKRXSA-N 2 2 269.242 0.097 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+](C)[C@@]2(CO)CCOC2)n1C ZINC000628367897 369250811 /nfs/dbraw/zinc/25/08/11/369250811.db2.gz XXSZLFKTMKBTQC-CYBMUJFWSA-N 2 2 268.361 0.069 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+](C)[C@@]2(CO)CCOC2)n1C ZINC000628367897 369250812 /nfs/dbraw/zinc/25/08/12/369250812.db2.gz XXSZLFKTMKBTQC-CYBMUJFWSA-N 2 2 268.361 0.069 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H]1COCC[N@@H+]1C)[NH+](CC)CC ZINC000628915434 369452045 /nfs/dbraw/zinc/45/20/45/369452045.db2.gz BKWOUTKQUURMID-OLZOCXBDSA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H]1COCC[N@H+]1C)[NH+](CC)CC ZINC000628915434 369452049 /nfs/dbraw/zinc/45/20/49/369452049.db2.gz BKWOUTKQUURMID-OLZOCXBDSA-N 2 2 271.405 0.554 20 0 CCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H]1COCC[N@H+]1C)C2 ZINC000628915510 369453947 /nfs/dbraw/zinc/45/39/47/369453947.db2.gz XBWWSECQCFLMNJ-JSGCOSHPSA-N 2 2 292.383 0.201 20 0 CCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H]1COCC[N@@H+]1C)C2 ZINC000628915510 369453953 /nfs/dbraw/zinc/45/39/53/369453953.db2.gz XBWWSECQCFLMNJ-JSGCOSHPSA-N 2 2 292.383 0.201 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@@H]1COCC[N@@H+]1C)[NH+](C)C ZINC000628920319 369463205 /nfs/dbraw/zinc/46/32/05/369463205.db2.gz UYDMXZVQSMXNQT-VXGBXAGGSA-N 2 2 257.378 0.019 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@@H]1COCC[N@H+]1C)[NH+](C)C ZINC000628920319 369463209 /nfs/dbraw/zinc/46/32/09/369463209.db2.gz UYDMXZVQSMXNQT-VXGBXAGGSA-N 2 2 257.378 0.019 20 0 CCADLP CC[N@@H+]1CCN(S(=O)(=O)CC2([NH+](C)C)CC2)[C@@H](C)C1 ZINC000632330469 370988392 /nfs/dbraw/zinc/98/83/92/370988392.db2.gz POWPPYHWGVOZIJ-LBPRGKRZSA-N 2 2 289.445 0.436 20 0 CCADLP CC[N@H+]1CCN(S(=O)(=O)CC2([NH+](C)C)CC2)[C@@H](C)C1 ZINC000632330469 370988396 /nfs/dbraw/zinc/98/83/96/370988396.db2.gz POWPPYHWGVOZIJ-LBPRGKRZSA-N 2 2 289.445 0.436 20 0 CCADLP COCCC[NH+]1CCC([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000629558769 369708688 /nfs/dbraw/zinc/70/86/88/369708688.db2.gz HAINDTLVZDYFHL-MRXNPFEDSA-N 3 2 299.459 0.534 20 0 CCADLP CN(C(=O)C[NH2+]C[C@H](O)C[NH+]1CCCC1)C1CCCCC1 ZINC000629562675 369710839 /nfs/dbraw/zinc/71/08/39/369710839.db2.gz CAJPKHZDLQXVIY-HNNXBMFYSA-N 2 2 297.443 0.824 20 0 CCADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C(=O)N1CCCC[C@H]1C ZINC000629568120 369713990 /nfs/dbraw/zinc/71/39/90/369713990.db2.gz RNKXUUOCRSDLFL-ILXRZTDVSA-N 2 2 297.443 0.822 20 0 CCADLP C[NH2+]CCOCC[N@H+](C)Cc1ncnn1C(C)C ZINC000629571094 369715859 /nfs/dbraw/zinc/71/58/59/369715859.db2.gz GXDCADITCRHFPY-UHFFFAOYSA-N 2 2 255.366 0.527 20 0 CCADLP C[NH2+]CCOCC[N@@H+](C)Cc1ncnn1C(C)C ZINC000629571094 369715865 /nfs/dbraw/zinc/71/58/65/369715865.db2.gz GXDCADITCRHFPY-UHFFFAOYSA-N 2 2 255.366 0.527 20 0 CCADLP CCCn1ncnc1C[N@H+](C)CCOCC[NH2+]C ZINC000629572482 369717398 /nfs/dbraw/zinc/71/73/98/369717398.db2.gz UQKKIRQITXCMMX-UHFFFAOYSA-N 2 2 255.366 0.356 20 0 CCADLP CCCn1ncnc1C[N@@H+](C)CCOCC[NH2+]C ZINC000629572482 369717401 /nfs/dbraw/zinc/71/74/01/369717401.db2.gz UQKKIRQITXCMMX-UHFFFAOYSA-N 2 2 255.366 0.356 20 0 CCADLP C[N@H+](CCOCC[NH3+])Cc1nc(-c2ccco2)no1 ZINC000629578254 369720616 /nfs/dbraw/zinc/72/06/16/369720616.db2.gz ABXHOVKBUZQWAY-UHFFFAOYSA-N 2 2 266.301 0.737 20 0 CCADLP C[N@@H+](CCOCC[NH3+])Cc1nc(-c2ccco2)no1 ZINC000629578254 369720618 /nfs/dbraw/zinc/72/06/18/369720618.db2.gz ABXHOVKBUZQWAY-UHFFFAOYSA-N 2 2 266.301 0.737 20 0 CCADLP CC(C)(C)CNC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000629532370 369693184 /nfs/dbraw/zinc/69/31/84/369693184.db2.gz XAASRAMKDJBDLR-NWDGAFQWSA-N 2 2 253.390 0.833 20 0 CCADLP CC(C)(C)CNC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000629532370 369693187 /nfs/dbraw/zinc/69/31/87/369693187.db2.gz XAASRAMKDJBDLR-NWDGAFQWSA-N 2 2 253.390 0.833 20 0 CCADLP C(C[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)OC1CCOCC1 ZINC000629534279 369694485 /nfs/dbraw/zinc/69/44/85/369694485.db2.gz UDPSTNMFGXSTTA-JSGCOSHPSA-N 2 2 254.374 0.866 20 0 CCADLP C(C[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)OC1CCOCC1 ZINC000629534279 369694491 /nfs/dbraw/zinc/69/44/91/369694491.db2.gz UDPSTNMFGXSTTA-JSGCOSHPSA-N 2 2 254.374 0.866 20 0 CCADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000276477184 193348030 /nfs/dbraw/zinc/34/80/30/193348030.db2.gz RMWJPRJQFNQJPH-CYBMUJFWSA-N 2 2 263.341 0.509 20 0 CCADLP Cc1cc[nH+]cc1CCC[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000276477184 193348032 /nfs/dbraw/zinc/34/80/32/193348032.db2.gz RMWJPRJQFNQJPH-CYBMUJFWSA-N 2 2 263.341 0.509 20 0 CCADLP CCO[C@H](C[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)C1CC1 ZINC000629538409 369696285 /nfs/dbraw/zinc/69/62/85/369696285.db2.gz MTGRYFZOAXHMMJ-RRFJBIMHSA-N 2 2 278.400 0.962 20 0 CCADLP CCO[C@H](C[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)C1CC1 ZINC000629538409 369696289 /nfs/dbraw/zinc/69/62/89/369696289.db2.gz MTGRYFZOAXHMMJ-RRFJBIMHSA-N 2 2 278.400 0.962 20 0 CCADLP [NH3+]CCCOCC[NH2+][C@@H](c1ncc[nH]1)c1cccnc1 ZINC000629540065 369696425 /nfs/dbraw/zinc/69/64/25/369696425.db2.gz SMLXEPAKEZLHAB-CYBMUJFWSA-N 2 2 275.356 0.849 20 0 CCADLP Cc1noc([C@H]2OCC[C@H]2[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)n1 ZINC000629544561 369698968 /nfs/dbraw/zinc/69/89/68/369698968.db2.gz AJWSNBIOHMHFGE-IXLVHKGHSA-N 2 2 266.345 0.938 20 0 CCADLP CN1CCC[C@H]1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000629551257 369702039 /nfs/dbraw/zinc/70/20/39/369702039.db2.gz SSIOWRSXIRSLIO-IHRRRGAJSA-N 2 2 253.390 0.437 20 0 CCADLP CNC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629561201 369708356 /nfs/dbraw/zinc/70/83/56/369708356.db2.gz GSRCZPMQQSPRFX-SFYZADRCSA-N 2 2 253.268 0.192 20 0 CCADLP CNC(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629561201 369708363 /nfs/dbraw/zinc/70/83/63/369708363.db2.gz GSRCZPMQQSPRFX-SFYZADRCSA-N 2 2 253.268 0.192 20 0 CCADLP Cn1ccc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000629647455 369747568 /nfs/dbraw/zinc/74/75/68/369747568.db2.gz VMDOJDMAEPJNSS-AWEZNQCLSA-N 2 2 276.384 0.421 20 0 CCADLP Cn1ccc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000629647455 369747570 /nfs/dbraw/zinc/74/75/70/369747570.db2.gz VMDOJDMAEPJNSS-AWEZNQCLSA-N 2 2 276.384 0.421 20 0 CCADLP COc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)nc1 ZINC000629579382 369723109 /nfs/dbraw/zinc/72/31/09/369723109.db2.gz KYOIXWFHDNFNMH-CYBMUJFWSA-N 2 2 265.357 0.637 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)C[NH+](C)C2CCC2)CCO1 ZINC000629954282 369853049 /nfs/dbraw/zinc/85/30/49/369853049.db2.gz DUZFHAATLZKZJT-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)C[NH+](C)C2CCC2)CCO1 ZINC000629954282 369853054 /nfs/dbraw/zinc/85/30/54/369853054.db2.gz DUZFHAATLZKZJT-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)C[N@H+](C)C2CCC2)CCO1 ZINC000629954282 369853058 /nfs/dbraw/zinc/85/30/58/369853058.db2.gz DUZFHAATLZKZJT-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)C[N@@H+](C)C2CCC2)CCO1 ZINC000629954282 369853064 /nfs/dbraw/zinc/85/30/64/369853064.db2.gz DUZFHAATLZKZJT-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP CC[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000336507362 213384047 /nfs/dbraw/zinc/38/40/47/213384047.db2.gz ONYDPDQKCABLMO-QWHCGFSZSA-N 2 2 253.390 0.881 20 0 CCADLP CC[C@@H]1C[C@H](C)C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000336507362 213384048 /nfs/dbraw/zinc/38/40/48/213384048.db2.gz ONYDPDQKCABLMO-QWHCGFSZSA-N 2 2 253.390 0.881 20 0 CCADLP [NH3+]C1CC[NH+](CCc2cn(-c3cc[nH+]cc3)nn2)CC1 ZINC000630586718 370190317 /nfs/dbraw/zinc/19/03/17/370190317.db2.gz QFIYCBPVGAISOE-UHFFFAOYSA-N 3 2 272.356 0.628 20 0 CCADLP Cc1nc(NC2CC[NH+](CC3CC3)CC2)nc(N)[nH+]1 ZINC000631065631 370372708 /nfs/dbraw/zinc/37/27/08/370372708.db2.gz NQSHASYRSKEVDH-UHFFFAOYSA-N 2 2 262.361 0.879 20 0 CCADLP Cc1nc(N)nc(NC2CC[NH+](CC3CC3)CC2)[nH+]1 ZINC000631065631 370372712 /nfs/dbraw/zinc/37/27/12/370372712.db2.gz NQSHASYRSKEVDH-UHFFFAOYSA-N 2 2 262.361 0.879 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631062198 370373604 /nfs/dbraw/zinc/37/36/04/370373604.db2.gz QTVXYSCZCHLXIY-ZDUSSCGKSA-N 2 2 265.357 0.988 20 0 CCADLP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631062198 370373611 /nfs/dbraw/zinc/37/36/11/370373611.db2.gz QTVXYSCZCHLXIY-ZDUSSCGKSA-N 2 2 265.357 0.988 20 0 CCADLP Cn1nc2c(c1C[NH2+]C[C@@](C)(O)C[NH+](C)C)CCCC2 ZINC000631100390 370384254 /nfs/dbraw/zinc/38/42/54/370384254.db2.gz VFNUSCRXWPVIAM-OAHLLOKOSA-N 2 2 280.416 0.701 20 0 CCADLP Cc1nc(N(C)C[C@@H]2CCC[N@H+](C)C2)nc(N)[nH+]1 ZINC000631119769 370390096 /nfs/dbraw/zinc/39/00/96/370390096.db2.gz QIBKXRSVBDZCMF-SNVBAGLBSA-N 2 2 250.350 0.371 20 0 CCADLP Cc1nc(N(C)C[C@@H]2CCC[N@@H+](C)C2)nc(N)[nH+]1 ZINC000631119769 370390101 /nfs/dbraw/zinc/39/01/01/370390101.db2.gz QIBKXRSVBDZCMF-SNVBAGLBSA-N 2 2 250.350 0.371 20 0 CCADLP Cc1nc(N)nc(N(C)C[C@@H]2CCC[N@H+](C)C2)[nH+]1 ZINC000631119769 370390108 /nfs/dbraw/zinc/39/01/08/370390108.db2.gz QIBKXRSVBDZCMF-SNVBAGLBSA-N 2 2 250.350 0.371 20 0 CCADLP Cc1nc(N)nc(N(C)C[C@@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000631119769 370390112 /nfs/dbraw/zinc/39/01/12/370390112.db2.gz QIBKXRSVBDZCMF-SNVBAGLBSA-N 2 2 250.350 0.371 20 0 CCADLP Cc1nc(NCC2(C[NH+](C)C)CCCC2)nc(N)[nH+]1 ZINC000631209308 370423543 /nfs/dbraw/zinc/42/35/43/370423543.db2.gz VEWHJKRWWPYRPU-UHFFFAOYSA-N 2 2 264.377 0.548 20 0 CCADLP Cc1nc(N)nc(NCC2(C[NH+](C)C)CCCC2)[nH+]1 ZINC000631209308 370423550 /nfs/dbraw/zinc/42/35/50/370423550.db2.gz VEWHJKRWWPYRPU-UHFFFAOYSA-N 2 2 264.377 0.548 20 0 CCADLP C[NH+](C)C1CCN(C(=O)C2([NH+]3CCOCC3)CC2)CC1 ZINC000631170980 370410293 /nfs/dbraw/zinc/41/02/93/370410293.db2.gz SXJCNPQYECIJOP-UHFFFAOYSA-N 2 2 281.400 0.404 20 0 CCADLP Cc1nc(N2CCC[C@](O)(C[NH+](C)C)C2)cc[nH+]1 ZINC000631344166 370484082 /nfs/dbraw/zinc/48/40/82/370484082.db2.gz LGGWZCFMXLLPIZ-ZDUSSCGKSA-N 2 2 250.346 0.678 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCc3ncccc32)CC1 ZINC000631577922 370597267 /nfs/dbraw/zinc/59/72/67/370597267.db2.gz XZNTYADWOXZMJH-OAHLLOKOSA-N 2 2 288.395 0.823 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000631595100 370603451 /nfs/dbraw/zinc/60/34/51/370603451.db2.gz RISPOUOOQRZWNU-UHFFFAOYSA-N 2 2 276.344 0.406 20 0 CCADLP C[C@@H](NS(=O)(=O)CCC[NH+](C)C)c1[nH+]ccn1C ZINC000632572745 371151623 /nfs/dbraw/zinc/15/16/23/371151623.db2.gz FRXWNYPOEJCUQX-SNVBAGLBSA-N 2 2 274.390 0.352 20 0 CCADLP COC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375891965 284262409 /nfs/dbraw/zinc/26/24/09/284262409.db2.gz SMSHXVFNLNLRHR-UONOGXRCSA-N 2 2 283.416 0.648 20 0 CCADLP COC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375891965 284262412 /nfs/dbraw/zinc/26/24/12/284262412.db2.gz SMSHXVFNLNLRHR-UONOGXRCSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632757874 371247579 /nfs/dbraw/zinc/24/75/79/371247579.db2.gz WHRQSALYEUGKAV-UHFFFAOYSA-N 2 2 274.390 0.513 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000331919400 204294273 /nfs/dbraw/zinc/29/42/73/204294273.db2.gz PJMRMMLHUVYJKD-JQWIXIFHSA-N 2 2 282.388 0.234 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000331919400 204294277 /nfs/dbraw/zinc/29/42/77/204294277.db2.gz PJMRMMLHUVYJKD-JQWIXIFHSA-N 2 2 282.388 0.234 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000331919400 204294279 /nfs/dbraw/zinc/29/42/79/204294279.db2.gz PJMRMMLHUVYJKD-JQWIXIFHSA-N 2 2 282.388 0.234 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000331919400 204294283 /nfs/dbraw/zinc/29/42/83/204294283.db2.gz PJMRMMLHUVYJKD-JQWIXIFHSA-N 2 2 282.388 0.234 20 0 CCADLP Cc1cc(C)c(CNC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)c[nH+]1 ZINC000633716326 371697024 /nfs/dbraw/zinc/69/70/24/371697024.db2.gz VEQVBXDPWFWJRW-JSGCOSHPSA-N 2 2 292.383 0.956 20 0 CCADLP C[C@@](O)(C[C@H](O)C[NH2+]CCCn1cc[nH+]c1)C1CC1 ZINC000634636529 372112226 /nfs/dbraw/zinc/11/22/26/372112226.db2.gz DUPLMCRKTGNRBO-UONOGXRCSA-N 2 2 267.373 0.775 20 0 CCADLP COCC1(C2CC2)C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000634651911 372124666 /nfs/dbraw/zinc/12/46/66/372124666.db2.gz CCZANCNTWSCDSL-AWEZNQCLSA-N 2 2 268.401 0.800 20 0 CCADLP COCC1(C2CC2)C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000634651911 372124675 /nfs/dbraw/zinc/12/46/75/372124675.db2.gz CCZANCNTWSCDSL-AWEZNQCLSA-N 2 2 268.401 0.800 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634763786 372210688 /nfs/dbraw/zinc/21/06/88/372210688.db2.gz CXHZVHLXUQNPJV-NEPJUHHUSA-N 3 2 270.421 0.160 20 0 CCADLP c1nc(N2CC[C@H]3CC[NH2+][C@@H]3C2)cc(N2CCOCC2)[nH+]1 ZINC000634807896 372247044 /nfs/dbraw/zinc/24/70/44/372247044.db2.gz DRPVZMBANSOCKM-CHWSQXEVSA-N 2 2 289.383 0.501 20 0 CCADLP C[C@H](O)[C@H]1CCN(c2cc(N3CC[NH2+]CC3)nc[nH+]2)C1 ZINC000634807585 372248054 /nfs/dbraw/zinc/24/80/54/372248054.db2.gz UBDBVKQIXMPIPD-RYUDHWBXSA-N 2 2 277.372 0.093 20 0 CCADLP C[C@H](O)[C@@H]1CCN(c2cc(NC3C[NH2+]C3)nc[nH+]2)C1 ZINC000634809607 372251909 /nfs/dbraw/zinc/25/19/09/372251909.db2.gz XBEMTVVZGQNIPF-VHSXEESVSA-N 2 2 263.345 0.067 20 0 CCADLP C[C@@H]([NH3+])CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000634810306 372253219 /nfs/dbraw/zinc/25/32/19/372253219.db2.gz SBSOGLNSNPRGGZ-MNOVXSKESA-N 2 2 265.361 0.444 20 0 CCADLP Cn1ncc2c1nc(N)[nH+]c2N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000634812885 372256992 /nfs/dbraw/zinc/25/69/92/372256992.db2.gz SYNBQSYOLSWYCC-MWLCHTKSSA-N 2 2 287.371 0.354 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004530 372340489 /nfs/dbraw/zinc/34/04/89/372340489.db2.gz IUOOUZJZRPNTAV-XUXIUFHCSA-N 3 2 255.406 0.861 20 0 CCADLP C[C@H]([NH2+]Cc1c(Br)cnn1C)C1C[NH2+]C1 ZINC000635020885 372349751 /nfs/dbraw/zinc/34/97/51/372349751.db2.gz NFRPHLKKHTUCPC-ZETCQYMHSA-N 2 2 273.178 0.880 20 0 CCADLP C[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)[C@@H]1CCC[NH2+]1 ZINC000635022988 372351381 /nfs/dbraw/zinc/35/13/81/372351381.db2.gz QRHNSIILDBZXTA-FPMFFAJLSA-N 2 2 281.400 0.496 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635127394 372383614 /nfs/dbraw/zinc/38/36/14/372383614.db2.gz PQZGLWXFWHUJME-UHFFFAOYSA-N 2 2 294.399 0.737 20 0 CCADLP O=C(NCCn1cc[nH+]c1)C12CCC[NH+](CCC1)C2 ZINC000635281074 372446655 /nfs/dbraw/zinc/44/66/55/372446655.db2.gz MXBOQMZDXGRQIZ-UHFFFAOYSA-N 2 2 262.357 0.875 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC000635383719 372483864 /nfs/dbraw/zinc/48/38/64/372483864.db2.gz WCTHJNOIJKTWJB-WZRBSPASSA-N 2 2 262.357 0.970 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC000635383719 372483871 /nfs/dbraw/zinc/48/38/71/372483871.db2.gz WCTHJNOIJKTWJB-WZRBSPASSA-N 2 2 262.357 0.970 20 0 CCADLP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635400470 372490062 /nfs/dbraw/zinc/49/00/62/372490062.db2.gz FSGGUBJSNUBBGY-QJPTWQEYSA-N 2 2 262.357 0.971 20 0 CCADLP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635400470 372490069 /nfs/dbraw/zinc/49/00/69/372490069.db2.gz FSGGUBJSNUBBGY-QJPTWQEYSA-N 2 2 262.357 0.971 20 0 CCADLP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635400470 372490077 /nfs/dbraw/zinc/49/00/77/372490077.db2.gz FSGGUBJSNUBBGY-QJPTWQEYSA-N 2 2 262.357 0.971 20 0 CCADLP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635400470 372490084 /nfs/dbraw/zinc/49/00/84/372490084.db2.gz FSGGUBJSNUBBGY-QJPTWQEYSA-N 2 2 262.357 0.971 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@@H]2CC[N@@H+](CC)C2)[nH+]1 ZINC000635401392 372491242 /nfs/dbraw/zinc/49/12/42/372491242.db2.gz KICDCKVUYDBNCO-NSHDSACASA-N 2 2 264.373 0.973 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@@H]2CC[N@H+](CC)C2)[nH+]1 ZINC000635401392 372491245 /nfs/dbraw/zinc/49/12/45/372491245.db2.gz KICDCKVUYDBNCO-NSHDSACASA-N 2 2 264.373 0.973 20 0 CCADLP C[C@H](C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1)[NH+](C)C ZINC000635471268 372540995 /nfs/dbraw/zinc/54/09/95/372540995.db2.gz JCBZFGNBSHJUQU-SECBINFHSA-N 2 2 283.376 0.433 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635545710 372609691 /nfs/dbraw/zinc/60/96/91/372609691.db2.gz KYJXSTUGBKSADP-CHWSQXEVSA-N 2 2 292.383 0.694 20 0 CCADLP CN(C(=O)[C@H]1C[C@@H](O)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000635553261 372620437 /nfs/dbraw/zinc/62/04/37/372620437.db2.gz YMQIXUFHDHYVHJ-AEGPPILISA-N 2 2 295.427 0.384 20 0 CCADLP CN(C(=O)[C@H]1C[C@@H](O)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000635553261 372620444 /nfs/dbraw/zinc/62/04/44/372620444.db2.gz YMQIXUFHDHYVHJ-AEGPPILISA-N 2 2 295.427 0.384 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000635618188 372691150 /nfs/dbraw/zinc/69/11/50/372691150.db2.gz LLJGRVJBAIYTDS-CABCVRRESA-N 2 2 295.427 0.794 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000635618188 372691154 /nfs/dbraw/zinc/69/11/54/372691154.db2.gz LLJGRVJBAIYTDS-CABCVRRESA-N 2 2 295.427 0.794 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1COC(=O)NC ZINC000496126086 284341077 /nfs/dbraw/zinc/34/10/77/284341077.db2.gz SNOMHERKRTUYSA-CHWSQXEVSA-N 2 2 287.404 0.510 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1COC(=O)NC ZINC000496126086 284341078 /nfs/dbraw/zinc/34/10/78/284341078.db2.gz SNOMHERKRTUYSA-CHWSQXEVSA-N 2 2 287.404 0.510 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1COC(=O)NC ZINC000496126086 284341079 /nfs/dbraw/zinc/34/10/79/284341079.db2.gz SNOMHERKRTUYSA-CHWSQXEVSA-N 2 2 287.404 0.510 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@@H]1COC(=O)NC ZINC000496126086 284341080 /nfs/dbraw/zinc/34/10/80/284341080.db2.gz SNOMHERKRTUYSA-CHWSQXEVSA-N 2 2 287.404 0.510 20 0 CCADLP Cc1cc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc[nH+]1 ZINC000333130001 205055535 /nfs/dbraw/zinc/05/55/35/205055535.db2.gz HUDALDBQGGZSGC-NEPJUHHUSA-N 2 2 260.341 0.885 20 0 CCADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000635714577 372804949 /nfs/dbraw/zinc/80/49/49/372804949.db2.gz CPHYOMOTVCYMKC-GHMZBOCLSA-N 2 2 262.357 0.725 20 0 CCADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000635714577 372804953 /nfs/dbraw/zinc/80/49/53/372804953.db2.gz CPHYOMOTVCYMKC-GHMZBOCLSA-N 2 2 262.357 0.725 20 0 CCADLP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000635714577 372804957 /nfs/dbraw/zinc/80/49/57/372804957.db2.gz CPHYOMOTVCYMKC-GHMZBOCLSA-N 2 2 262.357 0.725 20 0 CCADLP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000635714577 372804964 /nfs/dbraw/zinc/80/49/64/372804964.db2.gz CPHYOMOTVCYMKC-GHMZBOCLSA-N 2 2 262.357 0.725 20 0 CCADLP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000333247311 205149463 /nfs/dbraw/zinc/14/94/63/205149463.db2.gz FZLMBWDQXJWAOL-IPYPFGDCSA-N 2 2 295.427 0.873 20 0 CCADLP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000333247311 205149467 /nfs/dbraw/zinc/14/94/67/205149467.db2.gz FZLMBWDQXJWAOL-IPYPFGDCSA-N 2 2 295.427 0.873 20 0 CCADLP CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000333311554 205208865 /nfs/dbraw/zinc/20/88/65/205208865.db2.gz RWSDCIRFNOJDTH-RWMBFGLXSA-N 2 2 268.405 0.910 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)C1(C[NH+](C)C)CC1)CC2 ZINC000635787836 372910060 /nfs/dbraw/zinc/91/00/60/372910060.db2.gz VYFDTPBWICEAPR-UHFFFAOYSA-N 2 2 262.357 0.876 20 0 CCADLP Cc1cn2ccc(C(=O)NC[C@@]3(O)CC[N@@H+](C)C3)cc2[nH+]1 ZINC000635800561 372926968 /nfs/dbraw/zinc/92/69/68/372926968.db2.gz AWADPJFUKSCALY-HNNXBMFYSA-N 2 2 288.351 0.439 20 0 CCADLP Cc1cn2ccc(C(=O)NC[C@@]3(O)CC[N@H+](C)C3)cc2[nH+]1 ZINC000635800561 372926979 /nfs/dbraw/zinc/92/69/79/372926979.db2.gz AWADPJFUKSCALY-HNNXBMFYSA-N 2 2 288.351 0.439 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCC(=O)NC23CCC3)n1C ZINC000333374830 205268408 /nfs/dbraw/zinc/26/84/08/205268408.db2.gz ANUXBORYKZFOFE-LBPRGKRZSA-N 2 2 291.399 0.777 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CC[NH+]2C2CCCC2)CC[N@@H+]1CCO ZINC000635823718 372961909 /nfs/dbraw/zinc/96/19/09/372961909.db2.gz SXZXJHXUEFBNKN-UKRRQHHQSA-N 2 2 295.427 0.528 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CC[NH+]2C2CCCC2)CC[N@H+]1CCO ZINC000635823718 372961914 /nfs/dbraw/zinc/96/19/14/372961914.db2.gz SXZXJHXUEFBNKN-UKRRQHHQSA-N 2 2 295.427 0.528 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+]2C2CCCC2)CC[NH+]1CCO ZINC000635823718 372961922 /nfs/dbraw/zinc/96/19/22/372961922.db2.gz SXZXJHXUEFBNKN-UKRRQHHQSA-N 2 2 295.427 0.528 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+]2C2CCCC2)CC[NH+]1CCO ZINC000635823718 372961926 /nfs/dbraw/zinc/96/19/26/372961926.db2.gz SXZXJHXUEFBNKN-UKRRQHHQSA-N 2 2 295.427 0.528 20 0 CCADLP c1c[nH+]c(N2CC[NH+](CCOCC3CC3)CC2)[nH]1 ZINC000568166547 291558261 /nfs/dbraw/zinc/55/82/61/291558261.db2.gz NKSIWQXFPABDEJ-UHFFFAOYSA-N 2 2 250.346 0.958 20 0 CCADLP CC(C)C[C@H](C(=O)N[C@@H](CO)C[NH+](C)C)n1cc[nH+]c1 ZINC000635929123 373118805 /nfs/dbraw/zinc/11/88/05/373118805.db2.gz QKFIYSUYJOKFHO-CHWSQXEVSA-N 2 2 282.388 0.509 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635982918 373204073 /nfs/dbraw/zinc/20/40/73/373204073.db2.gz IRMQSJSFKSPJBV-LLVKDONJSA-N 2 2 250.346 0.861 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635982918 373204082 /nfs/dbraw/zinc/20/40/82/373204082.db2.gz IRMQSJSFKSPJBV-LLVKDONJSA-N 2 2 250.346 0.861 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)CC(C)(C)[NH3+] ZINC000656474385 412810499 /nfs/dbraw/zinc/81/04/99/412810499.db2.gz UAGWOTGHYMTYHK-SNVBAGLBSA-N 2 2 253.350 0.650 20 0 CCADLP C[C@@H]1CCC[N@H+](CCNC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000636555204 373640030 /nfs/dbraw/zinc/64/00/30/373640030.db2.gz NHBRGGCOFUJBML-OLZOCXBDSA-N 2 2 291.399 0.839 20 0 CCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000636555204 373640039 /nfs/dbraw/zinc/64/00/39/373640039.db2.gz NHBRGGCOFUJBML-OLZOCXBDSA-N 2 2 291.399 0.839 20 0 CCADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000636596377 373665103 /nfs/dbraw/zinc/66/51/03/373665103.db2.gz NANXPQGJTUBGPI-KWCYVHTRSA-N 2 2 289.383 0.734 20 0 CCADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000636596377 373665112 /nfs/dbraw/zinc/66/51/12/373665112.db2.gz NANXPQGJTUBGPI-KWCYVHTRSA-N 2 2 289.383 0.734 20 0 CCADLP C[C@@H](CNC1=[NH+]CCCN1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656508597 412815786 /nfs/dbraw/zinc/81/57/86/412815786.db2.gz PIMBZKNHTSEFFU-SDDRHHMPSA-N 2 2 254.378 0.423 20 0 CCADLP C[C@@H](CNC1=[NH+]CCCN1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656508597 412815789 /nfs/dbraw/zinc/81/57/89/412815789.db2.gz PIMBZKNHTSEFFU-SDDRHHMPSA-N 2 2 254.378 0.423 20 0 CCADLP CCN(C(=O)NC[C@@H]1COCC[NH+]1C)[C@H]1CC[N@H+](C)C1 ZINC000637440487 374155557 /nfs/dbraw/zinc/15/55/57/374155557.db2.gz MKJBXQPVNRCJCC-QWHCGFSZSA-N 2 2 284.404 0.053 20 0 CCADLP CCN(C(=O)NC[C@@H]1COCC[NH+]1C)[C@H]1CC[N@@H+](C)C1 ZINC000637440487 374155565 /nfs/dbraw/zinc/15/55/65/374155565.db2.gz MKJBXQPVNRCJCC-QWHCGFSZSA-N 2 2 284.404 0.053 20 0 CCADLP CCN(C(=O)NC[C@@H]1COCC[N@@H+]1C)[C@H]1CC[NH+](C)C1 ZINC000637440487 374155573 /nfs/dbraw/zinc/15/55/73/374155573.db2.gz MKJBXQPVNRCJCC-QWHCGFSZSA-N 2 2 284.404 0.053 20 0 CCADLP CCN(C(=O)NC[C@@H]1COCC[N@H+]1C)[C@H]1CC[NH+](C)C1 ZINC000637440487 374155583 /nfs/dbraw/zinc/15/55/83/374155583.db2.gz MKJBXQPVNRCJCC-QWHCGFSZSA-N 2 2 284.404 0.053 20 0 CCADLP CN(CC[NH+]1CCCCC1)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637440997 374157891 /nfs/dbraw/zinc/15/78/91/374157891.db2.gz WVAQHNRKIGJEQC-AWEZNQCLSA-N 2 2 298.431 0.444 20 0 CCADLP CN(CC[NH+]1CCCCC1)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000637440997 374157899 /nfs/dbraw/zinc/15/78/99/374157899.db2.gz WVAQHNRKIGJEQC-AWEZNQCLSA-N 2 2 298.431 0.444 20 0 CCADLP C[NH+]1CCC(C)(CNC(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000637444716 374169820 /nfs/dbraw/zinc/16/98/20/374169820.db2.gz UWIJFIRGWGIGKV-CYBMUJFWSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH+]1CCC(C)(CNC(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000637444716 374169826 /nfs/dbraw/zinc/16/98/26/374169826.db2.gz UWIJFIRGWGIGKV-CYBMUJFWSA-N 2 2 298.431 0.348 20 0 CCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NC[C@H]1COCC[NH+]1C ZINC000637447481 374172283 /nfs/dbraw/zinc/17/22/83/374172283.db2.gz OSOWRZGYNAWYHR-UONOGXRCSA-N 2 2 298.431 0.299 20 0 CCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@H]1COCC[NH+]1C ZINC000637447481 374172284 /nfs/dbraw/zinc/17/22/84/374172284.db2.gz OSOWRZGYNAWYHR-UONOGXRCSA-N 2 2 298.431 0.299 20 0 CCADLP CC(C)[C@H]1C[NH+](C)CCN1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637447481 374172289 /nfs/dbraw/zinc/17/22/89/374172289.db2.gz OSOWRZGYNAWYHR-UONOGXRCSA-N 2 2 298.431 0.299 20 0 CCADLP CC(C)[C@H]1C[NH+](C)CCN1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000637447481 374172291 /nfs/dbraw/zinc/17/22/91/374172291.db2.gz OSOWRZGYNAWYHR-UONOGXRCSA-N 2 2 298.431 0.299 20 0 CCADLP C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCn3cc(C)[nH+]c3C2)C1 ZINC000637821875 374359751 /nfs/dbraw/zinc/35/97/51/374359751.db2.gz DUDICFDELQJTPF-STQMWFEESA-N 2 2 276.384 0.964 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@H]1CCC[NH2+]1)CC2 ZINC000637827343 374366478 /nfs/dbraw/zinc/36/64/78/374366478.db2.gz PZNLLXKNYUTAAT-VXGBXAGGSA-N 2 2 262.357 0.622 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)NCCn2cc[nH+]c2)[C@H](C)CO1 ZINC000656543546 412821043 /nfs/dbraw/zinc/82/10/43/412821043.db2.gz SLHBYUPRJQODOE-CHWSQXEVSA-N 2 2 295.387 0.292 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCCn2cc[nH+]c2)[C@H](C)CO1 ZINC000656543546 412821046 /nfs/dbraw/zinc/82/10/46/412821046.db2.gz SLHBYUPRJQODOE-CHWSQXEVSA-N 2 2 295.387 0.292 20 0 CCADLP CC(C)[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000334168022 206131034 /nfs/dbraw/zinc/13/10/34/206131034.db2.gz AKTLFRVTKOAPCI-CYBMUJFWSA-N 2 2 253.390 0.881 20 0 CCADLP CC(C)[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000334168022 206131038 /nfs/dbraw/zinc/13/10/38/206131038.db2.gz AKTLFRVTKOAPCI-CYBMUJFWSA-N 2 2 253.390 0.881 20 0 CCADLP CO[C@]1(C[NH+]2CCN(Cc3[nH+]ccn3C)CC2)CCOC1 ZINC000638034032 374574914 /nfs/dbraw/zinc/57/49/14/374574914.db2.gz ZZCBHZAAQJBETF-HNNXBMFYSA-N 2 2 294.399 0.343 20 0 CCADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000638051540 374593675 /nfs/dbraw/zinc/59/36/75/374593675.db2.gz KKYJHVDVUCITQU-SWLSCSKDSA-N 2 2 288.351 0.718 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@H]([NH3+])CCC(C)C)CC1 ZINC000638054615 374598381 /nfs/dbraw/zinc/59/83/81/374598381.db2.gz FGUBGFTVXVJDFS-CYBMUJFWSA-N 2 2 271.405 0.541 20 0 CCADLP [NH3+][C@H]1CC=C(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000638077033 374632302 /nfs/dbraw/zinc/63/23/02/374632302.db2.gz PCOKUXKLUAMNEO-UONOGXRCSA-N 2 2 279.384 0.357 20 0 CCADLP [NH3+][C@H]1CC=C(C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000638072671 374624737 /nfs/dbraw/zinc/62/47/37/374624737.db2.gz UXSFDZRYEMJMND-LBPRGKRZSA-N 2 2 274.368 0.926 20 0 CCADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000638074902 374628305 /nfs/dbraw/zinc/62/83/05/374628305.db2.gz FGHBRCSKJNKGCQ-TZMCWYRMSA-N 2 2 280.372 0.547 20 0 CCADLP CO[C@@H](C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)[C@@H]1CCOC1 ZINC000638090494 374651562 /nfs/dbraw/zinc/65/15/62/374651562.db2.gz XTVVGBLADYRKLY-DGAVXFQQSA-N 2 2 254.374 0.722 20 0 CCADLP CO[C@@H](C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)[C@@H]1CCOC1 ZINC000638090494 374651565 /nfs/dbraw/zinc/65/15/65/374651565.db2.gz XTVVGBLADYRKLY-DGAVXFQQSA-N 2 2 254.374 0.722 20 0 CCADLP COc1cccc(C[C@H]([NH3+])C(=O)NCc2[nH]c[nH+]c2C)c1 ZINC000638131040 374700205 /nfs/dbraw/zinc/70/02/05/374700205.db2.gz IHTCGHGXTVYCRJ-ZDUSSCGKSA-N 2 2 288.351 0.913 20 0 CCADLP C[C@H]1C[C@@H](N(C)Cc2c[nH+]c(N)nc2N)CC[N@@H+]1C ZINC000638117465 374684635 /nfs/dbraw/zinc/68/46/35/374684635.db2.gz REQDQUYCTCPPQU-ONGXEEELSA-N 2 2 264.377 0.216 20 0 CCADLP C[C@H]1C[C@@H](N(C)Cc2c[nH+]c(N)nc2N)CC[N@H+]1C ZINC000638117465 374684638 /nfs/dbraw/zinc/68/46/38/374684638.db2.gz REQDQUYCTCPPQU-ONGXEEELSA-N 2 2 264.377 0.216 20 0 CCADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc(N)nc2N)CC[N@@H+]1C ZINC000638117465 374684640 /nfs/dbraw/zinc/68/46/40/374684640.db2.gz REQDQUYCTCPPQU-ONGXEEELSA-N 2 2 264.377 0.216 20 0 CCADLP C[C@H]1C[C@@H]([NH+](C)Cc2cnc(N)nc2N)CC[N@H+]1C ZINC000638117465 374684643 /nfs/dbraw/zinc/68/46/43/374684643.db2.gz REQDQUYCTCPPQU-ONGXEEELSA-N 2 2 264.377 0.216 20 0 CCADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cnc(N)nc2N)CC[NH+]1C ZINC000638117465 374684646 /nfs/dbraw/zinc/68/46/46/374684646.db2.gz REQDQUYCTCPPQU-ONGXEEELSA-N 2 2 264.377 0.216 20 0 CCADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cnc(N)nc2N)CC[NH+]1C ZINC000638117465 374684650 /nfs/dbraw/zinc/68/46/50/374684650.db2.gz REQDQUYCTCPPQU-ONGXEEELSA-N 2 2 264.377 0.216 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638120533 374687201 /nfs/dbraw/zinc/68/72/01/374687201.db2.gz ABPLZGRBKLQHAZ-HNNXBMFYSA-N 2 2 294.399 0.911 20 0 CCADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000638119365 374687299 /nfs/dbraw/zinc/68/72/99/374687299.db2.gz PQCGITNQSOLWDX-SWLSCSKDSA-N 2 2 288.351 0.718 20 0 CCADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cnc(N)nc1N ZINC000638145297 374716053 /nfs/dbraw/zinc/71/60/53/374716053.db2.gz IZFOUMHAMGJSPQ-LBPRGKRZSA-N 2 2 287.371 0.471 20 0 CCADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cnc(N)nc1N ZINC000638145297 374716056 /nfs/dbraw/zinc/71/60/56/374716056.db2.gz IZFOUMHAMGJSPQ-LBPRGKRZSA-N 2 2 287.371 0.471 20 0 CCADLP CCC[C@H]1C[NH2+]CCN1C(=O)Cc1[nH]c[nH+]c1C ZINC000638157809 374731907 /nfs/dbraw/zinc/73/19/07/374731907.db2.gz FEQZRSZSQISMCW-NSHDSACASA-N 2 2 250.346 0.861 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638280711 374887084 /nfs/dbraw/zinc/88/70/84/374887084.db2.gz DGZYIXOKFSTATL-FRRDWIJNSA-N 2 2 271.405 0.552 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638280711 374887092 /nfs/dbraw/zinc/88/70/92/374887092.db2.gz DGZYIXOKFSTATL-FRRDWIJNSA-N 2 2 271.405 0.552 20 0 CCADLP CCc1c[nH]c(CC(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)[nH+]1 ZINC000638337725 374938208 /nfs/dbraw/zinc/93/82/08/374938208.db2.gz YETHUVHUYQGEFB-QMTHXVAHSA-N 2 2 264.373 0.958 20 0 CCADLP O=C(NC[C@@H]1C[NH2+]CCO1)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000638338527 374939982 /nfs/dbraw/zinc/93/99/82/374939982.db2.gz YGCIYORRVBQCIM-ZDUSSCGKSA-N 2 2 286.335 0.795 20 0 CCADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)N(C)CCCn2cc[nH+]c2)C1 ZINC000638301980 374907222 /nfs/dbraw/zinc/90/72/22/374907222.db2.gz RAMOGYKGHKRRKK-TZMCWYRMSA-N 2 2 280.372 0.499 20 0 CCADLP Nc1ncc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(N)n1 ZINC000638383534 374978559 /nfs/dbraw/zinc/97/85/59/374978559.db2.gz JDVWFHSICYSXOW-UHFFFAOYSA-N 2 2 276.388 0.266 20 0 CCADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc(N)nc2N)C1 ZINC000638409605 375006708 /nfs/dbraw/zinc/00/67/08/375006708.db2.gz MMGPPXDLRZGSBJ-JTQLQIEISA-N 2 2 264.377 0.123 20 0 CCADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cnc(N)nc2N)C1 ZINC000638409605 375006715 /nfs/dbraw/zinc/00/67/15/375006715.db2.gz MMGPPXDLRZGSBJ-JTQLQIEISA-N 2 2 264.377 0.123 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C12CCC2)c1ccc(-n2cc[nH+]c2)nn1 ZINC000638506323 375095702 /nfs/dbraw/zinc/09/57/02/375095702.db2.gz SSKOJTSPCDVDLL-LBPRGKRZSA-N 2 2 298.350 0.677 20 0 CCADLP Cc1cnc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)o1 ZINC000638555274 375138895 /nfs/dbraw/zinc/13/88/95/375138895.db2.gz YMBJCKZXIZIHDR-UHFFFAOYSA-N 2 2 266.345 0.237 20 0 CCADLP C[C@H]1CCCN1C(=O)CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000568659546 291613956 /nfs/dbraw/zinc/61/39/56/291613956.db2.gz CTBUUTIWCHKLPE-ZDUSSCGKSA-N 2 2 291.399 0.933 20 0 CCADLP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@H]1COCC[N@H+]1C ZINC000638609157 375190754 /nfs/dbraw/zinc/19/07/54/375190754.db2.gz FCMWRTSVJTZMEM-JSGCOSHPSA-N 2 2 277.368 0.442 20 0 CCADLP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638609157 375190763 /nfs/dbraw/zinc/19/07/63/375190763.db2.gz FCMWRTSVJTZMEM-JSGCOSHPSA-N 2 2 277.368 0.442 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccc2c1CC[NH2+]C2 ZINC000638611654 375192340 /nfs/dbraw/zinc/19/23/40/375192340.db2.gz PBYMECZMUIMZTQ-ZDUSSCGKSA-N 2 2 289.379 0.393 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)c1cccc2c1CC[NH2+]C2 ZINC000638611654 375192345 /nfs/dbraw/zinc/19/23/45/375192345.db2.gz PBYMECZMUIMZTQ-ZDUSSCGKSA-N 2 2 289.379 0.393 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000638611240 375192913 /nfs/dbraw/zinc/19/29/13/375192913.db2.gz NCCAWFSFLVOJGA-HIFRSBDPSA-N 2 2 289.379 0.320 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000638611240 375192915 /nfs/dbraw/zinc/19/29/15/375192915.db2.gz NCCAWFSFLVOJGA-HIFRSBDPSA-N 2 2 289.379 0.320 20 0 CCADLP COc1cccc([C@H]([NH3+])C(=O)NC[C@H]2COCC[N@@H+]2C)c1 ZINC000638612610 375195539 /nfs/dbraw/zinc/19/55/39/375195539.db2.gz VTOMEXUASAWLQN-JSGCOSHPSA-N 2 2 293.367 0.142 20 0 CCADLP COc1cccc([C@H]([NH3+])C(=O)NC[C@H]2COCC[N@H+]2C)c1 ZINC000638612610 375195547 /nfs/dbraw/zinc/19/55/47/375195547.db2.gz VTOMEXUASAWLQN-JSGCOSHPSA-N 2 2 293.367 0.142 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000638613004 375196897 /nfs/dbraw/zinc/19/68/97/375196897.db2.gz ZTWBBMHQZDDLEB-BFHYXJOUSA-N 2 2 283.416 0.731 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000638613004 375196905 /nfs/dbraw/zinc/19/69/05/375196905.db2.gz ZTWBBMHQZDDLEB-BFHYXJOUSA-N 2 2 283.416 0.731 20 0 CCADLP [NH3+][C@H](C(=O)NC[C@H]1COCC[NH2+]1)c1c(F)cccc1F ZINC000638616100 375204495 /nfs/dbraw/zinc/20/44/95/375204495.db2.gz IKCSWUKADOCWAT-UFBFGSQYSA-N 2 2 285.294 0.069 20 0 CCADLP CO[C@@]1(C[NH2+]C[C@@H](C)C[NH+]2CCOCC2)CCOC1 ZINC000638674376 375277415 /nfs/dbraw/zinc/27/74/15/375277415.db2.gz IFZIYLAWHXHWIS-ZIAGYGMSSA-N 2 2 272.389 0.350 20 0 CCADLP CO[C@H](C[NH2+]C[C@@H](C)C[NH+]1CCOCC1)[C@@H]1CCOC1 ZINC000638675093 375279611 /nfs/dbraw/zinc/27/96/11/375279611.db2.gz RTTAMHDQCMRHPR-RBSFLKMASA-N 2 2 286.416 0.596 20 0 CCADLP COCCC[N@H+](C)CC[NH2+][C@H]1CCCNC(=O)C1 ZINC000638709793 375314471 /nfs/dbraw/zinc/31/44/71/375314471.db2.gz LAXVVYHEBUTWIQ-LBPRGKRZSA-N 2 2 257.378 0.213 20 0 CCADLP COCCC[N@@H+](C)CC[NH2+][C@H]1CCCNC(=O)C1 ZINC000638709793 375314476 /nfs/dbraw/zinc/31/44/76/375314476.db2.gz LAXVVYHEBUTWIQ-LBPRGKRZSA-N 2 2 257.378 0.213 20 0 CCADLP [NH3+]CCCOCCNC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000638661873 375265158 /nfs/dbraw/zinc/26/51/58/375265158.db2.gz HJPAEOYVNRADPW-LBPRGKRZSA-N 2 2 287.310 0.446 20 0 CCADLP CCn1nc(C)c(CN(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C)c1C ZINC000638831041 375397579 /nfs/dbraw/zinc/39/75/79/375397579.db2.gz WALDHMRKHFEUNX-AWEZNQCLSA-N 2 2 295.431 0.757 20 0 CCADLP CCC(CC)[C@H](C(=O)N[C@@H]1CC[NH2+][C@H]1C)[NH+]1CCOCC1 ZINC000638767923 375343713 /nfs/dbraw/zinc/34/37/13/375343713.db2.gz MFOBRAKTKFMLBS-NWANDNLSSA-N 2 2 297.443 0.990 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638838069 375398645 /nfs/dbraw/zinc/39/86/45/375398645.db2.gz LRIOPJLPKOULDC-ZDUSSCGKSA-N 2 2 298.431 0.173 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638838069 375398648 /nfs/dbraw/zinc/39/86/48/375398648.db2.gz LRIOPJLPKOULDC-ZDUSSCGKSA-N 2 2 298.431 0.173 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638814484 375386620 /nfs/dbraw/zinc/38/66/20/375386620.db2.gz BTUUUSORONPTRE-LLVKDONJSA-N 2 2 250.346 0.991 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000638878843 375421318 /nfs/dbraw/zinc/42/13/18/375421318.db2.gz FAPAYQXSUFBUGU-GJZGRUSLSA-N 3 2 292.427 0.342 20 0 CCADLP C[C@H](CC[NH2+]Cc1cnc(N)nc1N)[NH+]1CCCCC1 ZINC000639036663 375538781 /nfs/dbraw/zinc/53/87/81/375538781.db2.gz CFNJTPBLXWLDRG-LLVKDONJSA-N 2 2 278.404 0.656 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639003549 375512772 /nfs/dbraw/zinc/51/27/72/375512772.db2.gz IAENLJPUQZUGFJ-AWEZNQCLSA-N 2 2 291.399 0.147 20 0 CCADLP CC(C)CN(CC[NH+](C)C)Cc1c[nH+]c(N)nc1N ZINC000639168895 375615249 /nfs/dbraw/zinc/61/52/49/375615249.db2.gz ZXFBSNKIMJIFFF-UHFFFAOYSA-N 2 2 266.393 0.321 20 0 CCADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1c[nH+]c(N)nc1N ZINC000639191841 375625864 /nfs/dbraw/zinc/62/58/64/375625864.db2.gz XSJGCGBYGQVQDF-ZYHUDNBSSA-N 2 2 276.388 0.360 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](N(C)Cc2c[nH+]c(N)nc2N)C1 ZINC000639243289 375658480 /nfs/dbraw/zinc/65/84/80/375658480.db2.gz GBGQJSVPYIUWFF-LLVKDONJSA-N 2 2 264.377 0.216 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](N(C)Cc2c[nH+]c(N)nc2N)C1 ZINC000639243289 375658485 /nfs/dbraw/zinc/65/84/85/375658485.db2.gz GBGQJSVPYIUWFF-LLVKDONJSA-N 2 2 264.377 0.216 20 0 CCADLP Cn1cc(CCC[NH2+]C[C@H]2CCC[N@@H+]2CCCO)cn1 ZINC000639217055 375637814 /nfs/dbraw/zinc/63/78/14/375637814.db2.gz DGPIYJHSPRDWGP-OAHLLOKOSA-N 2 2 280.416 0.789 20 0 CCADLP Cn1cc(CCC[NH2+]C[C@H]2CCC[N@H+]2CCCO)cn1 ZINC000639217055 375637818 /nfs/dbraw/zinc/63/78/18/375637818.db2.gz DGPIYJHSPRDWGP-OAHLLOKOSA-N 2 2 280.416 0.789 20 0 CCADLP CO[C@@H](C[NH2+]C[C@H]1CCCC[N@@H+]1CCO)C1CC1 ZINC000639218484 375639615 /nfs/dbraw/zinc/63/96/15/375639615.db2.gz KFZXBNPEVWHYCK-KGLIPLIRSA-N 2 2 256.390 0.848 20 0 CCADLP CO[C@@H](C[NH2+]C[C@H]1CCCC[N@H+]1CCO)C1CC1 ZINC000639218484 375639621 /nfs/dbraw/zinc/63/96/21/375639621.db2.gz KFZXBNPEVWHYCK-KGLIPLIRSA-N 2 2 256.390 0.848 20 0 CCADLP C[C@H](Cc1cnccn1)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000639219146 375641943 /nfs/dbraw/zinc/64/19/43/375641943.db2.gz PZIXOFJFDJIYET-UKRRQHHQSA-N 2 2 278.400 0.844 20 0 CCADLP C[C@H](Cc1cnccn1)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000639219146 375641949 /nfs/dbraw/zinc/64/19/49/375641949.db2.gz PZIXOFJFDJIYET-UKRRQHHQSA-N 2 2 278.400 0.844 20 0 CCADLP Cn1c[nH+]c(CC[NH2+]Cc2cc3c(cn2)OCCO3)c1 ZINC000639256211 375670231 /nfs/dbraw/zinc/67/02/31/375670231.db2.gz UVPJYOPJFFJZMD-UHFFFAOYSA-N 2 2 274.324 0.919 20 0 CCADLP C[NH+](C)C1(C[NH2+]CC(C)(C)N2CCOCC2)CC1 ZINC000639271583 375683173 /nfs/dbraw/zinc/68/31/73/375683173.db2.gz NUQYEFJOZSWJAD-UHFFFAOYSA-N 2 2 255.406 0.781 20 0 CCADLP CO[C@@](C)(C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)C1CC1 ZINC000639350091 375749994 /nfs/dbraw/zinc/74/99/94/375749994.db2.gz USFBLOGSEHHXAW-ZFWWWQNUSA-N 2 2 283.416 0.731 20 0 CCADLP CO[C@@](C)(C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)C1CC1 ZINC000639350091 375750001 /nfs/dbraw/zinc/75/00/01/375750001.db2.gz USFBLOGSEHHXAW-ZFWWWQNUSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CCS1(=O)=O ZINC000639352007 375753339 /nfs/dbraw/zinc/75/33/39/375753339.db2.gz KFMJLOTYHGGFCH-IRCOFANPSA-N 2 2 260.403 0.634 20 0 CCADLP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCS1(=O)=O ZINC000639352007 375753347 /nfs/dbraw/zinc/75/33/47/375753347.db2.gz KFMJLOTYHGGFCH-IRCOFANPSA-N 2 2 260.403 0.634 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000639508915 375815234 /nfs/dbraw/zinc/81/52/34/375815234.db2.gz TWEVEPCNMCJQGN-LLVKDONJSA-N 2 2 250.346 0.550 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000639508915 375815238 /nfs/dbraw/zinc/81/52/38/375815238.db2.gz TWEVEPCNMCJQGN-LLVKDONJSA-N 2 2 250.346 0.550 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000639556743 375835755 /nfs/dbraw/zinc/83/57/55/375835755.db2.gz YZALSJGZIWBWFD-ZDUSSCGKSA-N 2 2 262.357 0.659 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000639556743 375835758 /nfs/dbraw/zinc/83/57/58/375835758.db2.gz YZALSJGZIWBWFD-ZDUSSCGKSA-N 2 2 262.357 0.659 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000639563870 375839828 /nfs/dbraw/zinc/83/98/28/375839828.db2.gz CBOVRPLNJUNZSO-RYUDHWBXSA-N 2 2 272.356 0.988 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000639586527 375844705 /nfs/dbraw/zinc/84/47/05/375844705.db2.gz NFHZEOQLCCUXKC-GFCCVEGCSA-N 2 2 271.386 0.472 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000639586527 375844711 /nfs/dbraw/zinc/84/47/11/375844711.db2.gz NFHZEOQLCCUXKC-GFCCVEGCSA-N 2 2 271.386 0.472 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@H]1CS(C)(=O)=O ZINC000639664149 375897662 /nfs/dbraw/zinc/89/76/62/375897662.db2.gz GMZZYIJLTAVSJF-ZDUSSCGKSA-N 2 2 285.413 0.862 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@H]1CS(C)(=O)=O ZINC000639664149 375897667 /nfs/dbraw/zinc/89/76/67/375897667.db2.gz GMZZYIJLTAVSJF-ZDUSSCGKSA-N 2 2 285.413 0.862 20 0 CCADLP C[C@@H]1OCC[C@@]12C[N@H+](CCc1c[nH+]cn1C)CCO2 ZINC000639622834 375868218 /nfs/dbraw/zinc/86/82/18/375868218.db2.gz UTFIMDVMLOQMOT-GXTWGEPZSA-N 2 2 265.357 0.842 20 0 CCADLP C[C@@H]1OCC[C@@]12C[N@@H+](CCc1c[nH+]cn1C)CCO2 ZINC000639622834 375868226 /nfs/dbraw/zinc/86/82/26/375868226.db2.gz UTFIMDVMLOQMOT-GXTWGEPZSA-N 2 2 265.357 0.842 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCN(CC(F)(F)CO)CC1 ZINC000639737583 375964292 /nfs/dbraw/zinc/96/42/92/375964292.db2.gz XGHBUPNTLJKMRX-UHFFFAOYSA-N 2 2 288.342 0.208 20 0 CCADLP C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@@H+]1CCc1c[nH+]cn1C ZINC000639691514 375925239 /nfs/dbraw/zinc/92/52/39/375925239.db2.gz UUAWJNZXZVOXPB-GRYCIOLGSA-N 2 2 264.373 0.902 20 0 CCADLP C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@H+]1CCc1c[nH+]cn1C ZINC000639691514 375925243 /nfs/dbraw/zinc/92/52/43/375925243.db2.gz UUAWJNZXZVOXPB-GRYCIOLGSA-N 2 2 264.373 0.902 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000639764360 375993151 /nfs/dbraw/zinc/99/31/51/375993151.db2.gz VJFOFFIELBFYHC-MRXNPFEDSA-N 2 2 291.395 0.674 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000639764360 375993157 /nfs/dbraw/zinc/99/31/57/375993157.db2.gz VJFOFFIELBFYHC-MRXNPFEDSA-N 2 2 291.395 0.674 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1c1cn[nH]c1 ZINC000639778053 376007184 /nfs/dbraw/zinc/00/71/84/376007184.db2.gz PGAKKJWDWFGRGF-OLZOCXBDSA-N 2 2 252.362 0.859 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1c1cn[nH]c1 ZINC000639778053 376007187 /nfs/dbraw/zinc/00/71/87/376007187.db2.gz PGAKKJWDWFGRGF-OLZOCXBDSA-N 2 2 252.362 0.859 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639778053 376007192 /nfs/dbraw/zinc/00/71/92/376007192.db2.gz PGAKKJWDWFGRGF-OLZOCXBDSA-N 2 2 252.362 0.859 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639778053 376007199 /nfs/dbraw/zinc/00/71/99/376007199.db2.gz PGAKKJWDWFGRGF-OLZOCXBDSA-N 2 2 252.362 0.859 20 0 CCADLP CC(C)N1CC[C@H]([N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)C1=O ZINC000639760100 375983510 /nfs/dbraw/zinc/98/35/10/375983510.db2.gz BLZIZTCJTNMNGH-ZFWWWQNUSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)N1CC[C@H]([N@H+]2CCC[C@](O)(C[NH+](C)C)C2)C1=O ZINC000639760100 375983512 /nfs/dbraw/zinc/98/35/12/375983512.db2.gz BLZIZTCJTNMNGH-ZFWWWQNUSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)C[C@H](C)O1 ZINC000639763296 375989895 /nfs/dbraw/zinc/98/98/95/375989895.db2.gz PTMOZMZSZJUZSF-XHSDSOJGSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)C[C@H](C)O1 ZINC000639763296 375989899 /nfs/dbraw/zinc/98/98/99/375989899.db2.gz PTMOZMZSZJUZSF-XHSDSOJGSA-N 2 2 299.459 0.484 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000639858352 376087476 /nfs/dbraw/zinc/08/74/76/376087476.db2.gz RZYCYTZABUVDAZ-ZIAGYGMSSA-N 2 2 279.388 0.463 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000639858352 376087479 /nfs/dbraw/zinc/08/74/79/376087479.db2.gz RZYCYTZABUVDAZ-ZIAGYGMSSA-N 2 2 279.388 0.463 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000639858352 376087481 /nfs/dbraw/zinc/08/74/81/376087481.db2.gz RZYCYTZABUVDAZ-ZIAGYGMSSA-N 2 2 279.388 0.463 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000639858352 376087483 /nfs/dbraw/zinc/08/74/83/376087483.db2.gz RZYCYTZABUVDAZ-ZIAGYGMSSA-N 2 2 279.388 0.463 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCn2nccc21 ZINC000640219318 376286501 /nfs/dbraw/zinc/28/65/01/376286501.db2.gz DHRQJHMLOSHOFJ-VXGBXAGGSA-N 2 2 252.362 0.620 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCn2nccc21 ZINC000640219318 376286506 /nfs/dbraw/zinc/28/65/06/376286506.db2.gz DHRQJHMLOSHOFJ-VXGBXAGGSA-N 2 2 252.362 0.620 20 0 CCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)NCc1[nH+]ccn1C ZINC000334311653 206351828 /nfs/dbraw/zinc/35/18/28/206351828.db2.gz GUJNGNXPNAXKKB-LLVKDONJSA-N 2 2 265.361 0.656 20 0 CCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCc1[nH+]ccn1C ZINC000334311653 206351829 /nfs/dbraw/zinc/35/18/29/206351829.db2.gz GUJNGNXPNAXKKB-LLVKDONJSA-N 2 2 265.361 0.656 20 0 CCADLP COc1cc[nH+]c(Cn2cc(CC[NH+](C)C)nn2)c1OC ZINC000640942724 376631601 /nfs/dbraw/zinc/63/16/01/376631601.db2.gz WRXSYSPDEIKXPF-UHFFFAOYSA-N 2 2 291.355 0.843 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000641224600 376918598 /nfs/dbraw/zinc/91/85/98/376918598.db2.gz WHDXBRQHKVWNME-CYBMUJFWSA-N 2 2 278.360 0.224 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000641224600 376918607 /nfs/dbraw/zinc/91/86/07/376918607.db2.gz WHDXBRQHKVWNME-CYBMUJFWSA-N 2 2 278.360 0.224 20 0 CCADLP O=S(=O)(CCn1cc[nH+]c1)N1CCc2c[nH+]ccc21 ZINC000641369533 377043487 /nfs/dbraw/zinc/04/34/87/377043487.db2.gz GPQPMJWIIXKAEK-UHFFFAOYSA-N 2 2 278.337 0.671 20 0 CCADLP CN(CC[N@H+](C)C1CC1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641430879 377110138 /nfs/dbraw/zinc/11/01/38/377110138.db2.gz PBKCFLUUAQZQBC-UHFFFAOYSA-N 2 2 286.401 0.239 20 0 CCADLP CN(CC[N@@H+](C)C1CC1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641430879 377110148 /nfs/dbraw/zinc/11/01/48/377110148.db2.gz PBKCFLUUAQZQBC-UHFFFAOYSA-N 2 2 286.401 0.239 20 0 CCADLP C[NH+](C)CCn1nnnc1SCc1ccc[nH+]c1N ZINC000641440007 377117796 /nfs/dbraw/zinc/11/77/96/377117796.db2.gz DHWZUALUDIHFPF-UHFFFAOYSA-N 2 2 279.373 0.504 20 0 CCADLP C[C@@H](Nc1cc(CO)cc[nH+]1)[C@H]1C[N@H+](C)CCO1 ZINC000641449720 377132219 /nfs/dbraw/zinc/13/22/19/377132219.db2.gz MLMHSQMIGYBSIU-ZYHUDNBSSA-N 2 2 251.330 0.705 20 0 CCADLP C[C@@H](Nc1cc(CO)cc[nH+]1)[C@H]1C[N@@H+](C)CCO1 ZINC000641449720 377132228 /nfs/dbraw/zinc/13/22/28/377132228.db2.gz MLMHSQMIGYBSIU-ZYHUDNBSSA-N 2 2 251.330 0.705 20 0 CCADLP C[C@H](CCNS(=O)(=O)CCn1cc[nH+]c1)[NH+](C)C ZINC000641605921 377307807 /nfs/dbraw/zinc/30/78/07/377307807.db2.gz MNHDRLJBEPPKNH-LLVKDONJSA-N 2 2 274.390 0.143 20 0 CCADLP CC1(C)[C@H]([NH2+]CCS(=O)(=O)c2ccccn2)C[C@@H]1[NH3+] ZINC000641800313 377468435 /nfs/dbraw/zinc/46/84/35/377468435.db2.gz AONQSGVLFZXOOW-WDEREUQCSA-N 2 2 283.397 0.571 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1nnnn1Cc1ccccc1 ZINC000641805783 377478948 /nfs/dbraw/zinc/47/89/48/377478948.db2.gz OMUNWIPJUORZNA-OLZOCXBDSA-N 2 2 286.383 0.937 20 0 CCADLP CCO[C@@H]1C[N@H+](CCc2c[nH+]cn2C)C[C@H]1C[NH3+] ZINC000641819926 377490945 /nfs/dbraw/zinc/49/09/45/377490945.db2.gz IMNWTPJFYSXILB-DGCLKSJQSA-N 3 2 252.362 0.258 20 0 CCADLP CCO[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)C[C@H]1C[NH3+] ZINC000641819926 377490946 /nfs/dbraw/zinc/49/09/46/377490946.db2.gz IMNWTPJFYSXILB-DGCLKSJQSA-N 3 2 252.362 0.258 20 0 CCADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC000459675102 249050912 /nfs/dbraw/zinc/05/09/12/249050912.db2.gz JMDXCIYAPQOEFB-ZBFHGGJFSA-N 2 2 287.363 0.966 20 0 CCADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@H](O)[C@@H](CO)C1 ZINC000459675102 249050913 /nfs/dbraw/zinc/05/09/13/249050913.db2.gz JMDXCIYAPQOEFB-ZBFHGGJFSA-N 2 2 287.363 0.966 20 0 CCADLP O=C1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)CN1CCOc1ccccc1 ZINC000514660418 249096645 /nfs/dbraw/zinc/09/66/45/249096645.db2.gz JPLHJIRRLLMFGW-ZIAGYGMSSA-N 2 2 289.379 0.618 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000514824963 249105948 /nfs/dbraw/zinc/10/59/48/249105948.db2.gz LVUUKJJELAHZFH-JSGCOSHPSA-N 2 2 297.424 0.553 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CO1 ZINC000514859961 249108362 /nfs/dbraw/zinc/10/83/62/249108362.db2.gz UFAIOBHSINTKDE-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP OCCNc1[nH+]c2ccccc2n1CC[C@H]1CC[NH2+]C1 ZINC000516453050 249164827 /nfs/dbraw/zinc/16/48/27/249164827.db2.gz JDTGFDYBGHRLKR-GFCCVEGCSA-N 2 2 274.368 0.862 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)C[C@H](C)O1 ZINC000517733250 249227566 /nfs/dbraw/zinc/22/75/66/249227566.db2.gz ZSHGDSSKAQLFBE-ARSDKDGVSA-N 2 2 268.401 0.845 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)C[C@H](C)O1 ZINC000517733250 249227568 /nfs/dbraw/zinc/22/75/68/249227568.db2.gz ZSHGDSSKAQLFBE-ARSDKDGVSA-N 2 2 268.401 0.845 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000517738612 249229139 /nfs/dbraw/zinc/22/91/39/249229139.db2.gz WUFMZHFCGMVQJW-HBNTYKKESA-N 2 2 265.361 0.623 20 0 CCADLP CC(C)OCC[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC000518853145 249263106 /nfs/dbraw/zinc/26/31/06/249263106.db2.gz BZMZQBHZWBHTMG-UHFFFAOYSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@@H]1CN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)[C@@H](C)C[NH2+]1 ZINC000643023152 377691394 /nfs/dbraw/zinc/69/13/94/377691394.db2.gz XKMNVJILMOUPLY-AGIUHOORSA-N 2 2 291.399 0.624 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H](Nc2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000643030178 377697097 /nfs/dbraw/zinc/69/70/97/377697097.db2.gz DZKUYPSMUTVSQB-VXGBXAGGSA-N 2 2 277.372 0.995 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H](Nc2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000643030178 377697108 /nfs/dbraw/zinc/69/71/08/377697108.db2.gz DZKUYPSMUTVSQB-VXGBXAGGSA-N 2 2 277.372 0.995 20 0 CCADLP Cc1nc(NC[C@H]2CCCC[NH2+]2)nc(N(C)C)[nH+]1 ZINC000642996219 377681735 /nfs/dbraw/zinc/68/17/35/377681735.db2.gz NOZARVPMZWQDIV-SNVBAGLBSA-N 2 2 250.350 0.222 20 0 CCADLP [NH3+]C1CCC(Nc2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000642997801 377684697 /nfs/dbraw/zinc/68/46/97/377684697.db2.gz PUJCTQQLGGCINO-UHFFFAOYSA-N 2 2 277.372 0.995 20 0 CCADLP [NH3+]C1CCC(Nc2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000642997801 377684707 /nfs/dbraw/zinc/68/47/07/377684707.db2.gz PUJCTQQLGGCINO-UHFFFAOYSA-N 2 2 277.372 0.995 20 0 CCADLP C[NH+](C)CCCNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000643216561 377736183 /nfs/dbraw/zinc/73/61/83/377736183.db2.gz DACGIARHXQUXHT-UHFFFAOYSA-N 2 2 286.420 0.348 20 0 CCADLP C[C@@H]1CN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)C[C@@H]1[NH3+] ZINC000643050640 377707474 /nfs/dbraw/zinc/70/74/74/377707474.db2.gz DJIXAHJZAFJQSB-AGIUHOORSA-N 2 2 291.399 0.611 20 0 CCADLP CC[NH+]1CCC(Nc2nc3c(cnn3C)c(N)[nH+]2)CC1 ZINC000278483430 194005637 /nfs/dbraw/zinc/00/56/37/194005637.db2.gz VQTZPOBRCRVYRT-UHFFFAOYSA-N 2 2 275.360 0.842 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccnn1C ZINC000278752950 194138856 /nfs/dbraw/zinc/13/88/56/194138856.db2.gz NXXAPXCTBLSSHN-DGCLKSJQSA-N 2 2 279.388 0.411 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccnn1C ZINC000278752950 194138857 /nfs/dbraw/zinc/13/88/57/194138857.db2.gz NXXAPXCTBLSSHN-DGCLKSJQSA-N 2 2 279.388 0.411 20 0 CCADLP O=C1C[C@@]2(CC[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)CN1 ZINC000278777062 194150240 /nfs/dbraw/zinc/15/02/40/194150240.db2.gz CVDNCKLQCFLBSZ-INIZCTEOSA-N 2 2 297.362 0.979 20 0 CCADLP O=C1C[C@@]2(CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)CN1 ZINC000278777062 194150242 /nfs/dbraw/zinc/15/02/42/194150242.db2.gz CVDNCKLQCFLBSZ-INIZCTEOSA-N 2 2 297.362 0.979 20 0 CCADLP O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000279048686 194263125 /nfs/dbraw/zinc/26/31/25/194263125.db2.gz RELUVGZQCVAQCO-VXGBXAGGSA-N 2 2 289.383 0.407 20 0 CCADLP O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000279048686 194263126 /nfs/dbraw/zinc/26/31/26/194263126.db2.gz RELUVGZQCVAQCO-VXGBXAGGSA-N 2 2 289.383 0.407 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCNC2=O)C[N@@H+]1C1CC1 ZINC000657284660 412952083 /nfs/dbraw/zinc/95/20/83/412952083.db2.gz UVTBDDHLDHGOTH-IJLUTSLNSA-N 2 2 251.374 0.727 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCNC2=O)C[N@H+]1C1CC1 ZINC000657284660 412952086 /nfs/dbraw/zinc/95/20/86/412952086.db2.gz UVTBDDHLDHGOTH-IJLUTSLNSA-N 2 2 251.374 0.727 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[NH+](C3CC3)CC2)CC1 ZINC000195221717 284940272 /nfs/dbraw/zinc/94/02/72/284940272.db2.gz NAHCHCYPIXNBTI-CQSZACIVSA-N 2 2 294.443 0.319 20 0 CCADLP [NH3+][C@H](C(=O)N1CCC[NH2+]CC1)c1c(F)cccc1F ZINC000334951549 207346283 /nfs/dbraw/zinc/34/62/83/207346283.db2.gz QWFHBJIXPAPDIY-LBPRGKRZSA-N 2 2 269.295 0.787 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000236805859 284958838 /nfs/dbraw/zinc/95/88/38/284958838.db2.gz RKVMUZHZUOGBRC-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP CC1(C)CN(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)CC[NH2+]1 ZINC000334968652 207383930 /nfs/dbraw/zinc/38/39/30/207383930.db2.gz TYJKPDUMEOROME-SNVBAGLBSA-N 2 2 290.358 0.625 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)[C@@H](C)[NH2+]C2CC2)C[C@@H]1C ZINC000449126491 532954487 /nfs/dbraw/zinc/95/44/87/532954487.db2.gz MBOOKSURWCFRLH-NWDGAFQWSA-N 2 2 269.389 0.306 20 0 CCADLP COCC[N@H+]1CCN(C(=O)[C@@H](C)[NH2+]C2CC2)C[C@@H]1C ZINC000449126491 532954501 /nfs/dbraw/zinc/95/45/01/532954501.db2.gz MBOOKSURWCFRLH-NWDGAFQWSA-N 2 2 269.389 0.306 20 0 CCADLP CC[N@H+](C)C[C@H]1CCN([C@H](C)C[NH+]2CCOCC2)C1 ZINC000246185648 285008720 /nfs/dbraw/zinc/00/87/20/285008720.db2.gz WQCKQJKDXNMSDZ-HUUCEWRRSA-N 2 2 269.433 0.981 20 0 CCADLP CC[N@@H+](C)C[C@H]1CCN([C@H](C)C[NH+]2CCOCC2)C1 ZINC000246185648 285008721 /nfs/dbraw/zinc/00/87/21/285008721.db2.gz WQCKQJKDXNMSDZ-HUUCEWRRSA-N 2 2 269.433 0.981 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000246221694 285010822 /nfs/dbraw/zinc/01/08/22/285010822.db2.gz BINYDAWHUFXAMD-WOPDTQHZSA-N 2 2 284.404 0.635 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000246221694 285010826 /nfs/dbraw/zinc/01/08/26/285010826.db2.gz BINYDAWHUFXAMD-WOPDTQHZSA-N 2 2 284.404 0.635 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246221694 285010828 /nfs/dbraw/zinc/01/08/28/285010828.db2.gz BINYDAWHUFXAMD-WOPDTQHZSA-N 2 2 284.404 0.635 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246221694 285010832 /nfs/dbraw/zinc/01/08/32/285010832.db2.gz BINYDAWHUFXAMD-WOPDTQHZSA-N 2 2 284.404 0.635 20 0 CCADLP O=C1c2ccccc2C(=O)N1CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000262495986 285020825 /nfs/dbraw/zinc/02/08/25/285020825.db2.gz LKEXRVQPWQOZCW-STQMWFEESA-N 2 2 299.374 0.824 20 0 CCADLP O=C1c2ccccc2C(=O)N1CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000262495986 285020829 /nfs/dbraw/zinc/02/08/29/285020829.db2.gz LKEXRVQPWQOZCW-STQMWFEESA-N 2 2 299.374 0.824 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000418694768 532990582 /nfs/dbraw/zinc/99/05/82/532990582.db2.gz IMNZNQDXFQZRFC-OLZOCXBDSA-N 2 2 291.399 0.645 20 0 CCADLP Cc1cc(CNC(=O)c2cn(CC[NH3+])nn2)cc(C)[nH+]1 ZINC000571702258 291832559 /nfs/dbraw/zinc/83/25/59/291832559.db2.gz FTTSWLCWFSUQGL-UHFFFAOYSA-N 2 2 274.328 0.179 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CC(C)(C)S(C)(=O)=O)n1C ZINC000657386893 412978707 /nfs/dbraw/zinc/97/87/07/412978707.db2.gz NAJMLEHMWFGZBQ-UHFFFAOYSA-N 2 2 259.375 0.641 20 0 CCADLP C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)CC1=O ZINC000657380183 412979349 /nfs/dbraw/zinc/97/93/49/412979349.db2.gz GYTGBOKZHFZZCT-MDZLAQPJSA-N 2 2 274.368 0.928 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000418221906 533077376 /nfs/dbraw/zinc/07/73/76/533077376.db2.gz WIWBBTFVOXYLQU-WDEREUQCSA-N 2 2 278.356 0.969 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCOC[C@H]1CC(C)C ZINC000574819443 335050279 /nfs/dbraw/zinc/05/02/79/335050279.db2.gz DKSZGVACFALXQG-CABCVRRESA-N 2 2 288.432 0.672 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCOC[C@H]1CC(C)C ZINC000574819443 335050281 /nfs/dbraw/zinc/05/02/81/335050281.db2.gz DKSZGVACFALXQG-CABCVRRESA-N 2 2 288.432 0.672 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCOC[C@H]1CC(C)C ZINC000574819443 335050282 /nfs/dbraw/zinc/05/02/82/335050282.db2.gz DKSZGVACFALXQG-CABCVRRESA-N 2 2 288.432 0.672 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCOC[C@H]1CC(C)C ZINC000574819443 335050283 /nfs/dbraw/zinc/05/02/83/335050283.db2.gz DKSZGVACFALXQG-CABCVRRESA-N 2 2 288.432 0.672 20 0 CCADLP COc1ccc(C[NH2+]C[C@H]2C[NH2+]CCN2C)cc1F ZINC000258915028 285153895 /nfs/dbraw/zinc/15/38/95/285153895.db2.gz MOUXFWUXSOZKJK-GFCCVEGCSA-N 2 2 267.348 0.828 20 0 CCADLP CO[C@H]1COCC[C@H]1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657480362 413003359 /nfs/dbraw/zinc/00/33/59/413003359.db2.gz WESKGGCFDLVSOC-AAEUAGOBSA-N 2 2 265.357 0.970 20 0 CCADLP CN(CC[N@H+](C)C1CC1)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000373505554 285202471 /nfs/dbraw/zinc/20/24/71/285202471.db2.gz TVQZTOWXKZYNMD-UHFFFAOYSA-N 2 2 295.427 0.794 20 0 CCADLP CN(CC[N@@H+](C)C1CC1)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000373505554 285202473 /nfs/dbraw/zinc/20/24/73/285202473.db2.gz TVQZTOWXKZYNMD-UHFFFAOYSA-N 2 2 295.427 0.794 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CC(=O)NCC2CC2)n1C ZINC000393097077 285208253 /nfs/dbraw/zinc/20/82/53/285208253.db2.gz WYASKGUXDLRJDJ-UHFFFAOYSA-N 2 2 265.361 0.102 20 0 CCADLP CC(C)[C@@H](CO)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000394067439 285213591 /nfs/dbraw/zinc/21/35/91/285213591.db2.gz MNUIADFPROGDTR-LLVKDONJSA-N 2 2 254.378 0.840 20 0 CCADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccnc(OC)n2)C1 ZINC000395115503 285220543 /nfs/dbraw/zinc/22/05/43/285220543.db2.gz GBSXHZGJSHRWCD-NSHDSACASA-N 2 2 250.346 0.917 20 0 CCADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccnc(OC)n2)C1 ZINC000395115503 285220545 /nfs/dbraw/zinc/22/05/45/285220545.db2.gz GBSXHZGJSHRWCD-NSHDSACASA-N 2 2 250.346 0.917 20 0 CCADLP O=C1NCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000657523300 413015706 /nfs/dbraw/zinc/01/57/06/413015706.db2.gz QBCZDXFNHUUGGQ-ZDUSSCGKSA-N 2 2 256.309 0.850 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@H](CO)C2CCC2)n1C ZINC000657558629 413025674 /nfs/dbraw/zinc/02/56/74/413025674.db2.gz FDZWAOCTUXNMOV-GFCCVEGCSA-N 2 2 252.362 0.737 20 0 CCADLP O=C1[C@H]([NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CCN1CC(F)(F)F ZINC000359282777 296432822 /nfs/dbraw/zinc/43/28/22/296432822.db2.gz TWWZRMYZQXLPLC-OPRDCNLKSA-N 2 2 277.290 0.301 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+]CC2([NH3+])CCC2)CC1 ZINC000342091746 285299138 /nfs/dbraw/zinc/29/91/38/285299138.db2.gz CNCGYACOSXSJTB-GFCCVEGCSA-N 3 2 268.405 0.010 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000575044374 335058485 /nfs/dbraw/zinc/05/84/85/335058485.db2.gz XRHSBFOFQZCRGX-RYUDHWBXSA-N 2 2 284.404 0.276 20 0 CCADLP C[C@@H](C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1)[NH+]1CCOCC1 ZINC000423987580 533224404 /nfs/dbraw/zinc/22/44/04/533224404.db2.gz WIGMVHJBEHNTPR-MBNYWOFBSA-N 2 2 269.389 0.150 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)CCc2c[nH+]cn2C)CCO1 ZINC000525998483 285325423 /nfs/dbraw/zinc/32/54/23/285325423.db2.gz STTLFCKBVGYTII-LBPRGKRZSA-N 2 2 280.372 0.190 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)CCc2c[nH+]cn2C)CCO1 ZINC000525998483 285325428 /nfs/dbraw/zinc/32/54/28/285325428.db2.gz STTLFCKBVGYTII-LBPRGKRZSA-N 2 2 280.372 0.190 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000011954077 388777283 /nfs/dbraw/zinc/77/72/83/388777283.db2.gz BWUBZORCTYLAQN-NEPJUHHUSA-N 2 2 271.405 0.587 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000286183330 388837109 /nfs/dbraw/zinc/83/71/09/388837109.db2.gz AKXFTVAYXZGNML-YPMHNXCESA-N 2 2 262.357 0.813 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000286183330 388837113 /nfs/dbraw/zinc/83/71/13/388837113.db2.gz AKXFTVAYXZGNML-YPMHNXCESA-N 2 2 262.357 0.813 20 0 CCADLP C[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000040832853 388856654 /nfs/dbraw/zinc/85/66/54/388856654.db2.gz CJHZAVOXIZDHSC-LBPRGKRZSA-N 2 2 277.368 0.482 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](CCO)[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000187296510 388876508 /nfs/dbraw/zinc/87/65/08/388876508.db2.gz GUWDUEMBVPEMSY-LSDHHAIUSA-N 2 2 297.443 0.776 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000187296510 388876512 /nfs/dbraw/zinc/87/65/12/388876512.db2.gz GUWDUEMBVPEMSY-LSDHHAIUSA-N 2 2 297.443 0.776 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000290824440 388913677 /nfs/dbraw/zinc/91/36/77/388913677.db2.gz XEVSTKWOHKVOAF-JTQLQIEISA-N 2 2 251.334 0.314 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCO[C@@H]2CC2(F)F)n1C ZINC000657619041 413039283 /nfs/dbraw/zinc/03/92/83/413039283.db2.gz KOPHZUPJCOTAIZ-SNVBAGLBSA-N 2 2 274.315 1.000 20 0 CCADLP CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)C(F)(F)F ZINC000189491385 388962449 /nfs/dbraw/zinc/96/24/49/388962449.db2.gz ZCZPPQPXRCOFLO-JTQLQIEISA-N 2 2 297.321 0.006 20 0 CCADLP CC[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)C(F)(F)F ZINC000189491385 388962451 /nfs/dbraw/zinc/96/24/51/388962451.db2.gz ZCZPPQPXRCOFLO-JTQLQIEISA-N 2 2 297.321 0.006 20 0 CCADLP CS(=O)(=O)N1CC(C[NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000189691501 388968903 /nfs/dbraw/zinc/96/89/03/388968903.db2.gz ZHPFCGSNZNWTOC-UHFFFAOYSA-N 2 2 294.380 0.315 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000069699088 388951830 /nfs/dbraw/zinc/95/18/30/388951830.db2.gz WUHGKAJGZQEPRW-SNVBAGLBSA-N 2 2 261.329 0.461 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)NCCn1cc[nH+]c1 ZINC000073499018 388976913 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COCCCNC(=O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000338257302 389099372 /nfs/dbraw/zinc/09/93/72/389099372.db2.gz NREJOZXZMSWTHI-UHFFFAOYSA-N 2 2 285.432 0.944 20 0 CCADLP COCCCNC(=O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000338257302 389099373 /nfs/dbraw/zinc/09/93/73/389099373.db2.gz NREJOZXZMSWTHI-UHFFFAOYSA-N 2 2 285.432 0.944 20 0 CCADLP CC(C)SCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000338268326 389100955 /nfs/dbraw/zinc/10/09/55/389100955.db2.gz UVVWKAXITLRDHD-UHFFFAOYSA-N 2 2 273.446 0.834 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]CCC1CCOCC1 ZINC000311152663 389102047 /nfs/dbraw/zinc/10/20/47/389102047.db2.gz JLRYXJOFCNBCNG-CQSZACIVSA-N 2 2 255.406 0.639 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]CCC1CCOCC1 ZINC000311152663 389102048 /nfs/dbraw/zinc/10/20/48/389102048.db2.gz JLRYXJOFCNBCNG-CQSZACIVSA-N 2 2 255.406 0.639 20 0 CCADLP C[C@@H]1CCC[C@H](NC(=O)C[N@H+](C)C[C@H](O)C[NH3+])[C@@H]1C ZINC000311911807 389106020 /nfs/dbraw/zinc/10/60/20/389106020.db2.gz RGHPFJDXDXILAT-LPWJVIDDSA-N 2 2 271.405 0.179 20 0 CCADLP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)C[C@H](O)C[NH3+])[C@@H]1C ZINC000311911807 389106022 /nfs/dbraw/zinc/10/60/22/389106022.db2.gz RGHPFJDXDXILAT-LPWJVIDDSA-N 2 2 271.405 0.179 20 0 CCADLP COCCC(=O)N1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000355668077 389109710 /nfs/dbraw/zinc/10/97/10/389109710.db2.gz FVEPKZHFCFVLBO-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP COCCC(=O)N1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000355668077 389109712 /nfs/dbraw/zinc/10/97/12/389109712.db2.gz FVEPKZHFCFVLBO-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](CC(=O)NC2CCCCC2)CCCO1 ZINC000313330490 389112389 /nfs/dbraw/zinc/11/23/89/389112389.db2.gz AGDUMHOVUUAQOU-ZDUSSCGKSA-N 2 2 269.389 0.485 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)NC2CCCCC2)CCCO1 ZINC000313330490 389112390 /nfs/dbraw/zinc/11/23/90/389112390.db2.gz AGDUMHOVUUAQOU-ZDUSSCGKSA-N 2 2 269.389 0.485 20 0 CCADLP CC[N@@H+]1CC[C@@H]2OCCN(Cc3[nH+]ccn3C)[C@@H]2C1 ZINC000339379032 389131416 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CNS(=O)(=O)CCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123403943 389156278 /nfs/dbraw/zinc/15/62/78/389156278.db2.gz OUISHJVHGBDINA-VXGBXAGGSA-N 2 2 277.434 0.340 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@@H+]1CCOCC1(C)C)[NH+](C)C ZINC000359260433 389169423 /nfs/dbraw/zinc/16/94/23/389169423.db2.gz CIVZZSZMYATHAM-ZDUSSCGKSA-N 2 2 285.432 0.800 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@H+]1CCOCC1(C)C)[NH+](C)C ZINC000359260433 389169426 /nfs/dbraw/zinc/16/94/26/389169426.db2.gz CIVZZSZMYATHAM-ZDUSSCGKSA-N 2 2 285.432 0.800 20 0 CCADLP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000330693808 389251785 /nfs/dbraw/zinc/25/17/85/389251785.db2.gz AZBBRUTYERKSIA-DGCLKSJQSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000330693808 389251788 /nfs/dbraw/zinc/25/17/88/389251788.db2.gz AZBBRUTYERKSIA-DGCLKSJQSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000330693808 389251790 /nfs/dbraw/zinc/25/17/90/389251790.db2.gz AZBBRUTYERKSIA-DGCLKSJQSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000330693808 389251792 /nfs/dbraw/zinc/25/17/92/389251792.db2.gz AZBBRUTYERKSIA-DGCLKSJQSA-N 2 2 280.372 0.256 20 0 CCADLP COCC[N@H+](C)CCNC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000363698713 389252059 /nfs/dbraw/zinc/25/20/59/389252059.db2.gz JQTFZAMDNTZBGT-UHFFFAOYSA-N 2 2 295.387 0.295 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000363698713 389252062 /nfs/dbraw/zinc/25/20/62/389252062.db2.gz JQTFZAMDNTZBGT-UHFFFAOYSA-N 2 2 295.387 0.295 20 0 CCADLP C[C@H]1[N@H+](CC(=O)N2CC[NH+](C)CC2)CCC12CCOCC2 ZINC000363802470 389254080 /nfs/dbraw/zinc/25/40/80/389254080.db2.gz TUTSCFCTICFDRW-CQSZACIVSA-N 2 2 295.427 0.651 20 0 CCADLP C[C@H]1[N@@H+](CC(=O)N2CC[NH+](C)CC2)CCC12CCOCC2 ZINC000363802470 389254083 /nfs/dbraw/zinc/25/40/83/389254083.db2.gz TUTSCFCTICFDRW-CQSZACIVSA-N 2 2 295.427 0.651 20 0 CCADLP COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246155921 389224555 /nfs/dbraw/zinc/22/45/55/389224555.db2.gz GTRYDZFABTWHMK-OLZOCXBDSA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)CNC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246155921 389224557 /nfs/dbraw/zinc/22/45/57/389224557.db2.gz GTRYDZFABTWHMK-OLZOCXBDSA-N 2 2 297.399 0.082 20 0 CCADLP CC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C1CCOCC1 ZINC000343396149 389265974 /nfs/dbraw/zinc/26/59/74/389265974.db2.gz DRGYUTQWENUYIR-CQSZACIVSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H]1CCN(Cc2nnnn2C)C[C@H]1n1cc[nH+]c1 ZINC000362399943 389235552 /nfs/dbraw/zinc/23/55/52/389235552.db2.gz CUGWXUSALAYKNX-GHMZBOCLSA-N 2 2 261.333 0.490 20 0 CCADLP C[C@@H]1CC[N@H+](Cc2nnnn2C)C[C@H]1n1cc[nH+]c1 ZINC000362399943 389235554 /nfs/dbraw/zinc/23/55/54/389235554.db2.gz CUGWXUSALAYKNX-GHMZBOCLSA-N 2 2 261.333 0.490 20 0 CCADLP C[C@@H]1CC[N@@H+](Cc2nnnn2C)C[C@H]1n1cc[nH+]c1 ZINC000362399943 389235557 /nfs/dbraw/zinc/23/55/57/389235557.db2.gz CUGWXUSALAYKNX-GHMZBOCLSA-N 2 2 261.333 0.490 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCOC[C@@H]2OCCOC)C1 ZINC000362700839 389240367 /nfs/dbraw/zinc/24/03/67/389240367.db2.gz VYGSUJKZPIGLIO-YJNKXOJESA-N 2 2 286.416 0.737 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCOC[C@@H]2OCCOC)C1 ZINC000362700839 389240370 /nfs/dbraw/zinc/24/03/70/389240370.db2.gz VYGSUJKZPIGLIO-YJNKXOJESA-N 2 2 286.416 0.737 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000367083381 389319512 /nfs/dbraw/zinc/31/95/12/389319512.db2.gz FQRJOUFTLKFNDA-CQSZACIVSA-N 2 2 276.384 0.896 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N(C)C2=O)CC[N@@H+]1C ZINC000156135269 389323408 /nfs/dbraw/zinc/32/34/08/389323408.db2.gz DEALJEBZYJHVHX-GMTAPVOTSA-N 2 2 253.346 0.206 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N(C)C2=O)CC[N@H+]1C ZINC000156135269 389323412 /nfs/dbraw/zinc/32/34/12/389323412.db2.gz DEALJEBZYJHVHX-GMTAPVOTSA-N 2 2 253.346 0.206 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000264428311 389327519 /nfs/dbraw/zinc/32/75/19/389327519.db2.gz AGXKGNMNPJYWRW-GFCCVEGCSA-N 2 2 266.345 0.110 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000264428311 389327521 /nfs/dbraw/zinc/32/75/21/389327521.db2.gz AGXKGNMNPJYWRW-GFCCVEGCSA-N 2 2 266.345 0.110 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000264547699 389335816 /nfs/dbraw/zinc/33/58/16/389335816.db2.gz SHBLRANTRZSHKK-CYBMUJFWSA-N 2 2 288.351 0.785 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000264547699 389335819 /nfs/dbraw/zinc/33/58/19/389335819.db2.gz SHBLRANTRZSHKK-CYBMUJFWSA-N 2 2 288.351 0.785 20 0 CCADLP CC[C@@H](NC(=O)[C@H](C)N1CC[NH+](C)CC1)c1[nH]cc[nH+]1 ZINC000330982384 389271881 /nfs/dbraw/zinc/27/18/81/389271881.db2.gz KDSCCNMYGBDCCT-NWDGAFQWSA-N 2 2 279.388 0.613 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261660906 389273502 /nfs/dbraw/zinc/27/35/02/389273502.db2.gz IGJXTVDUXAJHFV-MFKMUULPSA-N 2 2 270.377 0.280 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261660906 389273504 /nfs/dbraw/zinc/27/35/04/389273504.db2.gz IGJXTVDUXAJHFV-MFKMUULPSA-N 2 2 270.377 0.280 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000364950454 389274236 /nfs/dbraw/zinc/27/42/36/389274236.db2.gz OVUCUAUZILJPMA-CABCVRRESA-N 2 2 295.427 0.970 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000364950454 389274238 /nfs/dbraw/zinc/27/42/38/389274238.db2.gz OVUCUAUZILJPMA-CABCVRRESA-N 2 2 295.427 0.970 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)C[C@@H](C)O1 ZINC000261747788 389275476 /nfs/dbraw/zinc/27/54/76/389275476.db2.gz MMBXNLGBXYPGPY-NFAWXSAZSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)C[C@@H](C)O1 ZINC000261747788 389275479 /nfs/dbraw/zinc/27/54/79/389275479.db2.gz MMBXNLGBXYPGPY-NFAWXSAZSA-N 2 2 281.400 0.308 20 0 CCADLP COCC[N@H+](C)CCN[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000262031898 389280468 /nfs/dbraw/zinc/28/04/68/389280468.db2.gz XQDOAEQFRZKNDR-KFWWJZLASA-N 2 2 285.432 0.311 20 0 CCADLP COCC[N@@H+](C)CCN[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000262031898 389280469 /nfs/dbraw/zinc/28/04/69/389280469.db2.gz XQDOAEQFRZKNDR-KFWWJZLASA-N 2 2 285.432 0.311 20 0 CCADLP C[N@H+](CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)C1CCCC1 ZINC000263277579 389298579 /nfs/dbraw/zinc/29/85/79/389298579.db2.gz TVKXJMCHNSTMMO-NSHDSACASA-N 2 2 275.343 0.974 20 0 CCADLP C[N@@H+](CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)C1CCCC1 ZINC000263277579 389298580 /nfs/dbraw/zinc/29/85/80/389298580.db2.gz TVKXJMCHNSTMMO-NSHDSACASA-N 2 2 275.343 0.974 20 0 CCADLP C[C@H]1[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CCC[N@@H+]1C ZINC000345294170 389299962 /nfs/dbraw/zinc/29/99/62/389299962.db2.gz BMGCCHADYHEWOL-CMPLNLGQSA-N 2 2 280.372 0.949 20 0 CCADLP C[C@H]1[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CCC[N@H+]1C ZINC000345294170 389299966 /nfs/dbraw/zinc/29/99/66/389299966.db2.gz BMGCCHADYHEWOL-CMPLNLGQSA-N 2 2 280.372 0.949 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+](CCO)CC1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000153735262 389307024 /nfs/dbraw/zinc/30/70/24/389307024.db2.gz KXSAFZOKEPTLDD-IHRRRGAJSA-N 2 2 283.416 0.384 20 0 CCADLP COCC[N@H+](C)CCC[NH2+][C@H]1CC[NH+](C)C[C@@H]1C ZINC000153756203 389307649 /nfs/dbraw/zinc/30/76/49/389307649.db2.gz FYQFDVFKBALNPH-KBPBESRZSA-N 3 2 257.422 0.885 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+][C@H]1CC[NH+](C)C[C@@H]1C ZINC000153756203 389307652 /nfs/dbraw/zinc/30/76/52/389307652.db2.gz FYQFDVFKBALNPH-KBPBESRZSA-N 3 2 257.422 0.885 20 0 CCADLP COCC[NH+](C)CCC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000153756203 389307654 /nfs/dbraw/zinc/30/76/54/389307654.db2.gz FYQFDVFKBALNPH-KBPBESRZSA-N 3 2 257.422 0.885 20 0 CCADLP COCC[NH+](C)CCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000153756203 389307659 /nfs/dbraw/zinc/30/76/59/389307659.db2.gz FYQFDVFKBALNPH-KBPBESRZSA-N 3 2 257.422 0.885 20 0 CCADLP C[C@H](CC(N)=O)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000267269912 389368678 /nfs/dbraw/zinc/36/86/78/389368678.db2.gz SBGGEZNPFYCJTA-IUODEOHRSA-N 2 2 291.395 0.259 20 0 CCADLP C[C@H](CC(N)=O)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000267269912 389368683 /nfs/dbraw/zinc/36/86/83/389368683.db2.gz SBGGEZNPFYCJTA-IUODEOHRSA-N 2 2 291.395 0.259 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)N2CCn3c[nH+]cc3C2)CC[N@@H+]1C ZINC000332901350 389389360 /nfs/dbraw/zinc/38/93/60/389389360.db2.gz OWYBRQSENSNXNW-RYUDHWBXSA-N 2 2 277.372 0.891 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)N2CCn3c[nH+]cc3C2)CC[N@H+]1C ZINC000332901350 389389362 /nfs/dbraw/zinc/38/93/62/389389362.db2.gz OWYBRQSENSNXNW-RYUDHWBXSA-N 2 2 277.372 0.891 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3(O)CCCC3)C2)CC1 ZINC000369256535 389393167 /nfs/dbraw/zinc/39/31/67/389393167.db2.gz PJACFQDELVOLFC-ZDUSSCGKSA-N 2 2 295.427 0.576 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3(O)CCCC3)C2)CC1 ZINC000369256535 389393169 /nfs/dbraw/zinc/39/31/69/389393169.db2.gz PJACFQDELVOLFC-ZDUSSCGKSA-N 2 2 295.427 0.576 20 0 CCADLP C[NH2+][C@H]1CCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000332156176 389345736 /nfs/dbraw/zinc/34/57/36/389345736.db2.gz RMMHQZSPOZPVGY-QWHCGFSZSA-N 2 2 289.383 0.664 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCN2CCSCC2)C1 ZINC000347756389 389358228 /nfs/dbraw/zinc/35/82/28/389358228.db2.gz ULFNGPYPJUQKAX-OLZOCXBDSA-N 2 2 257.447 0.965 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCN2CCSCC2)C1 ZINC000347756389 389358230 /nfs/dbraw/zinc/35/82/30/389358230.db2.gz ULFNGPYPJUQKAX-OLZOCXBDSA-N 2 2 257.447 0.965 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC2(C(N)=O)CCCC2)C1 ZINC000347834487 389359478 /nfs/dbraw/zinc/35/94/78/389359478.db2.gz QIXNFPJLZOWFCV-NWDGAFQWSA-N 2 2 253.390 0.962 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC2(C(N)=O)CCCC2)C1 ZINC000347834487 389359480 /nfs/dbraw/zinc/35/94/80/389359480.db2.gz QIXNFPJLZOWFCV-NWDGAFQWSA-N 2 2 253.390 0.962 20 0 CCADLP C(C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)CN1CCOCC1 ZINC000422729303 389461419 /nfs/dbraw/zinc/46/14/19/389461419.db2.gz HSJRQZZFCXEHQV-GJZGRUSLSA-N 2 2 283.416 0.065 20 0 CCADLP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CCC[NH+](CC)CC ZINC000422734704 389462093 /nfs/dbraw/zinc/46/20/93/389462093.db2.gz SWRRCGIPEGKQEQ-CHWSQXEVSA-N 2 2 271.405 0.602 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCCC[NH+](CC)CC ZINC000422734704 389462096 /nfs/dbraw/zinc/46/20/96/389462096.db2.gz SWRRCGIPEGKQEQ-CHWSQXEVSA-N 2 2 271.405 0.602 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1NCC[NH+](C(C)C)C(C)C ZINC000422761667 389469379 /nfs/dbraw/zinc/46/93/79/389469379.db2.gz RKRPPWPSXVOJTQ-KBPBESRZSA-N 2 2 285.432 0.988 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)C2CCC(O)CC2)CC1 ZINC000350155613 389493958 /nfs/dbraw/zinc/49/39/58/389493958.db2.gz HMMKUGDIZVIBPX-UHFFFAOYSA-N 2 2 297.443 0.680 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1NCCC[NH+]1CCCCC1 ZINC000422780057 389473278 /nfs/dbraw/zinc/47/32/78/389473278.db2.gz GRTBSJDPHIVNDX-KBPBESRZSA-N 2 2 283.416 0.746 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CCCOCC2)CC1 ZINC000373329117 389474623 /nfs/dbraw/zinc/47/46/23/389474623.db2.gz UUNSAFJODJNKPH-AWEZNQCLSA-N 2 2 297.443 0.945 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC[C@H](C)[NH3+] ZINC000422792521 389477246 /nfs/dbraw/zinc/47/72/46/389477246.db2.gz ZIYMLCASXCQKDW-NWDGAFQWSA-N 2 2 257.378 0.341 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC[C@H](C)[NH3+] ZINC000422792521 389477251 /nfs/dbraw/zinc/47/72/51/389477251.db2.gz ZIYMLCASXCQKDW-NWDGAFQWSA-N 2 2 257.378 0.341 20 0 CCADLP O=C(NCC[C@H]1CC[NH2+]C1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000422804324 389478343 /nfs/dbraw/zinc/47/83/43/389478343.db2.gz HJZJBACQMQEFFD-UKRRQHHQSA-N 2 2 295.427 0.746 20 0 CCADLP O=C(NCC[C@H]1CC[NH2+]C1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000422804324 389478346 /nfs/dbraw/zinc/47/83/46/389478346.db2.gz HJZJBACQMQEFFD-UKRRQHHQSA-N 2 2 295.427 0.746 20 0 CCADLP O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000422810676 389479265 /nfs/dbraw/zinc/47/92/65/389479265.db2.gz SDJKHCCMYXHAFC-ZFWWWQNUSA-N 2 2 295.427 0.603 20 0 CCADLP O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000422810676 389479268 /nfs/dbraw/zinc/47/92/68/389479268.db2.gz SDJKHCCMYXHAFC-ZFWWWQNUSA-N 2 2 295.427 0.603 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCC[NH+]1CCCCCC1 ZINC000422808815 389479304 /nfs/dbraw/zinc/47/93/04/389479304.db2.gz ORHYONGRBQGHPM-ZIAGYGMSSA-N 2 2 283.416 0.746 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1NCC[NH+]1CCCCCC1 ZINC000422808813 389479578 /nfs/dbraw/zinc/47/95/78/389479578.db2.gz ORHYONGRBQGHPM-KGLIPLIRSA-N 2 2 283.416 0.746 20 0 CCADLP c1cnn(CCC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422815905 389480469 /nfs/dbraw/zinc/48/04/69/389480469.db2.gz YNGPVDACHLWNMY-ZIAGYGMSSA-N 2 2 264.373 0.630 20 0 CCADLP C[N@H+](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000370864481 389420838 /nfs/dbraw/zinc/42/08/38/389420838.db2.gz BWYJZDUFVVFYQC-LLVKDONJSA-N 2 2 262.357 0.656 20 0 CCADLP C[N@@H+](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000370864481 389420842 /nfs/dbraw/zinc/42/08/42/389420842.db2.gz BWYJZDUFVVFYQC-LLVKDONJSA-N 2 2 262.357 0.656 20 0 CCADLP Cc1cc(C)c(NC(=O)C(=O)NCC[NH+]2CCC2)c(C)[nH+]1 ZINC000411345622 389424878 /nfs/dbraw/zinc/42/48/78/389424878.db2.gz LCEYRVZZNAAMJU-UHFFFAOYSA-N 2 2 290.367 0.767 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCN1C(=O)N[C@H](C)C1=O ZINC000333568105 389427317 /nfs/dbraw/zinc/42/73/17/389427317.db2.gz IAMHUPOHXWNGGK-UPJWGTAASA-N 2 2 294.399 0.485 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCN1C(=O)N[C@H](C)C1=O ZINC000333568105 389427322 /nfs/dbraw/zinc/42/73/22/389427322.db2.gz IAMHUPOHXWNGGK-UPJWGTAASA-N 2 2 294.399 0.485 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCN1C(=O)N[C@H](C)C1=O ZINC000333568105 389427325 /nfs/dbraw/zinc/42/73/25/389427325.db2.gz IAMHUPOHXWNGGK-UPJWGTAASA-N 2 2 294.399 0.485 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCN1C(=O)N[C@H](C)C1=O ZINC000333568105 389427329 /nfs/dbraw/zinc/42/73/29/389427329.db2.gz IAMHUPOHXWNGGK-UPJWGTAASA-N 2 2 294.399 0.485 20 0 CCADLP CC[NH+]1CCN(CCC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000422852781 389491859 /nfs/dbraw/zinc/49/18/59/389491859.db2.gz BHLDZEGGGKCWCU-CABCVRRESA-N 3 2 268.449 0.744 20 0 CCADLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccon2)CC1 ZINC000172653584 389492023 /nfs/dbraw/zinc/49/20/23/389492023.db2.gz XFTDSNADZTXZMI-UHFFFAOYSA-N 2 2 280.372 0.564 20 0 CCADLP Cc1cc(CNC(=O)NC[C@H]2C[NH2+]CCN2C)cc(C)[nH+]1 ZINC000422604321 389445077 /nfs/dbraw/zinc/44/50/77/389445077.db2.gz BOVBUTKWQIPTIX-CQSZACIVSA-N 2 2 291.399 0.401 20 0 CCADLP CC(C)(CC[NH3+])NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000422623616 389448131 /nfs/dbraw/zinc/44/81/31/389448131.db2.gz WWZDHEIRUGIQLO-GFCCVEGCSA-N 2 2 284.404 0.276 20 0 CCADLP CC(C)(CC[NH3+])NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000422623616 389448133 /nfs/dbraw/zinc/44/81/33/389448133.db2.gz WWZDHEIRUGIQLO-GFCCVEGCSA-N 2 2 284.404 0.276 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000168650995 389450526 /nfs/dbraw/zinc/45/05/26/389450526.db2.gz MPFSVFYFQPSXHI-VXGBXAGGSA-N 2 2 296.415 0.814 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000168650995 389450530 /nfs/dbraw/zinc/45/05/30/389450530.db2.gz MPFSVFYFQPSXHI-VXGBXAGGSA-N 2 2 296.415 0.814 20 0 CCADLP [NH3+][C@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000422697638 389452970 /nfs/dbraw/zinc/45/29/70/389452970.db2.gz VLHKLPVEJRRCMI-JSGCOSHPSA-N 2 2 281.400 0.580 20 0 CCADLP [NH3+][C@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000422697638 389452974 /nfs/dbraw/zinc/45/29/74/389452974.db2.gz VLHKLPVEJRRCMI-JSGCOSHPSA-N 2 2 281.400 0.580 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000422689993 389453060 /nfs/dbraw/zinc/45/30/60/389453060.db2.gz FZIWJTCRKFYUMM-OLZOCXBDSA-N 2 2 269.389 0.437 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000422689993 389453065 /nfs/dbraw/zinc/45/30/65/389453065.db2.gz FZIWJTCRKFYUMM-OLZOCXBDSA-N 2 2 269.389 0.437 20 0 CCADLP COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1CCn1cc[nH+]c1C ZINC000275656848 389512700 /nfs/dbraw/zinc/51/27/00/389512700.db2.gz XSGRZNLFXYNGFT-VXGBXAGGSA-N 2 2 267.329 0.190 20 0 CCADLP COC(=O)[C@H]1[C@H](O)CCC[N@H+]1CCn1cc[nH+]c1C ZINC000275656848 389512704 /nfs/dbraw/zinc/51/27/04/389512704.db2.gz XSGRZNLFXYNGFT-VXGBXAGGSA-N 2 2 267.329 0.190 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)/C=C/C[NH+](C)C)C1 ZINC000374355234 389569195 /nfs/dbraw/zinc/56/91/95/389569195.db2.gz FLVNAWBUBCNAIT-ITKZLYELSA-N 2 2 262.357 0.854 20 0 CCADLP CCc1nn(C)c(OC)c1C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000422991561 389518369 /nfs/dbraw/zinc/51/83/69/389518369.db2.gz OUHDIIHYXDHCGP-NEPJUHHUSA-N 2 2 296.415 0.848 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC(C)(C)[NH+](C)C ZINC000276627858 389520001 /nfs/dbraw/zinc/52/00/01/389520001.db2.gz VPAQJGCDZHJUEM-UHFFFAOYSA-N 2 2 252.362 0.809 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCCC(=O)OC)[C@H](C)C1 ZINC000175723621 389546082 /nfs/dbraw/zinc/54/60/82/389546082.db2.gz KQLQGSRUOVTSPX-OLZOCXBDSA-N 2 2 299.415 0.328 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCCC(=O)OC)[C@H](C)C1 ZINC000175723621 389546086 /nfs/dbraw/zinc/54/60/86/389546086.db2.gz KQLQGSRUOVTSPX-OLZOCXBDSA-N 2 2 299.415 0.328 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCCC(=O)OC)[C@H](C)C1 ZINC000175723621 389546089 /nfs/dbraw/zinc/54/60/89/389546089.db2.gz KQLQGSRUOVTSPX-OLZOCXBDSA-N 2 2 299.415 0.328 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCCC(=O)OC)[C@H](C)C1 ZINC000175723621 389546093 /nfs/dbraw/zinc/54/60/93/389546093.db2.gz KQLQGSRUOVTSPX-OLZOCXBDSA-N 2 2 299.415 0.328 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](CC)[C@@H]1CCCC[NH2+]1 ZINC000423162145 389547121 /nfs/dbraw/zinc/54/71/21/389547121.db2.gz SUNWUDXYXISDAJ-UPJWGTAASA-N 2 2 291.461 0.825 20 0 CCADLP C[C@@H]1CC[C@H](C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)O1 ZINC000423168603 389547879 /nfs/dbraw/zinc/54/78/79/389547879.db2.gz USWJAOIKQNGCLQ-RUZUBIRVSA-N 2 2 254.374 0.911 20 0 CCADLP COCCN1CC[C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)C1 ZINC000423192416 389551415 /nfs/dbraw/zinc/55/14/15/389551415.db2.gz VFJKSYCQBPOQDM-MRXNPFEDSA-N 2 2 292.427 0.872 20 0 CCADLP C[C@@H]1C[C@@H]([NH+](C)CCN2C(=O)CCC2=O)CC[N@@H+]1C ZINC000177059067 389571112 /nfs/dbraw/zinc/57/11/12/389571112.db2.gz AZURYMDGIOQGTI-NEPJUHHUSA-N 2 2 267.373 0.550 20 0 CCADLP C[C@@H]1C[C@@H]([NH+](C)CCN2C(=O)CCC2=O)CC[N@H+]1C ZINC000177059067 389571114 /nfs/dbraw/zinc/57/11/14/389571114.db2.gz AZURYMDGIOQGTI-NEPJUHHUSA-N 2 2 267.373 0.550 20 0 CCADLP C[C@@H]1C[C@@H]([N@H+](C)CCN2C(=O)CCC2=O)CC[NH+]1C ZINC000177059067 389571118 /nfs/dbraw/zinc/57/11/18/389571118.db2.gz AZURYMDGIOQGTI-NEPJUHHUSA-N 2 2 267.373 0.550 20 0 CCADLP C[C@@H]1C[C@@H]([N@@H+](C)CCN2C(=O)CCC2=O)CC[NH+]1C ZINC000177059067 389571121 /nfs/dbraw/zinc/57/11/21/389571121.db2.gz AZURYMDGIOQGTI-NEPJUHHUSA-N 2 2 267.373 0.550 20 0 CCADLP C[C@@H](CC(=O)N(C)C)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423239672 389555538 /nfs/dbraw/zinc/55/55/38/389555538.db2.gz WGSSXBJTDFPJPT-LBPRGKRZSA-N 2 2 291.399 0.770 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)Cc2[nH+]ccn2C)C1 ZINC000350918637 389555856 /nfs/dbraw/zinc/55/58/56/389555856.db2.gz MPZUCIYBMTYSJA-NSHDSACASA-N 2 2 266.345 0.099 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N(C)Cc2[nH+]ccn2C)C1 ZINC000350918637 389555859 /nfs/dbraw/zinc/55/58/59/389555859.db2.gz MPZUCIYBMTYSJA-NSHDSACASA-N 2 2 266.345 0.099 20 0 CCADLP C[NH2+]CC[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000423242164 389556442 /nfs/dbraw/zinc/55/64/42/389556442.db2.gz IQVULYHBNUTGOU-VIFPVBQESA-N 2 2 288.189 0.808 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423317040 389563019 /nfs/dbraw/zinc/56/30/19/389563019.db2.gz BEMCPOKACPRUQD-QWHCGFSZSA-N 3 2 255.406 0.733 20 0 CCADLP CC1(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC[NH2+]CC1 ZINC000423323533 389565756 /nfs/dbraw/zinc/56/57/56/389565756.db2.gz IADHNJABOHEETP-UONOGXRCSA-N 3 2 267.417 0.733 20 0 CCADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)C2(C)C[NH2+]C2)CC1 ZINC000423334097 389566601 /nfs/dbraw/zinc/56/66/01/389566601.db2.gz SGVCVYJGNLDMQS-UHFFFAOYSA-N 2 2 292.383 0.545 20 0 CCADLP CC(C)([NH3+])CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000422873424 389497276 /nfs/dbraw/zinc/49/72/76/389497276.db2.gz AFKUFWZYGDBLHQ-GFCCVEGCSA-N 2 2 269.389 0.341 20 0 CCADLP CC(C)([NH3+])CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000422873424 389497279 /nfs/dbraw/zinc/49/72/79/389497279.db2.gz AFKUFWZYGDBLHQ-GFCCVEGCSA-N 2 2 269.389 0.341 20 0 CCADLP CC(C)C(=O)NCCC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414365205 389612940 /nfs/dbraw/zinc/61/29/40/389612940.db2.gz KLIQAPSCQLMHTC-UHFFFAOYSA-N 2 2 281.404 0.738 20 0 CCADLP CC(C)(C)[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000178662063 389614159 /nfs/dbraw/zinc/61/41/59/389614159.db2.gz JQQZYJIROVYBFO-LLVKDONJSA-N 2 2 271.405 0.587 20 0 CCADLP CC(C)(C)[C@H]([NH3+])C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000178662063 389614163 /nfs/dbraw/zinc/61/41/63/389614163.db2.gz JQQZYJIROVYBFO-LLVKDONJSA-N 2 2 271.405 0.587 20 0 CCADLP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000424456406 389624277 /nfs/dbraw/zinc/62/42/77/389624277.db2.gz WVRRHXCQUJYPTM-GHMZBOCLSA-N 2 2 251.334 0.452 20 0 CCADLP CN(C(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)C1CC1 ZINC000336124887 389624660 /nfs/dbraw/zinc/62/46/60/389624660.db2.gz FSEIQMPCKWKVOE-CQSZACIVSA-N 2 2 251.374 0.635 20 0 CCADLP CN(C(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)C1CC1 ZINC000336124887 389624664 /nfs/dbraw/zinc/62/46/64/389624664.db2.gz FSEIQMPCKWKVOE-CQSZACIVSA-N 2 2 251.374 0.635 20 0 CCADLP CN(C(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)C1CC1 ZINC000336124887 389624667 /nfs/dbraw/zinc/62/46/67/389624667.db2.gz FSEIQMPCKWKVOE-CQSZACIVSA-N 2 2 251.374 0.635 20 0 CCADLP CN(C(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)C1CC1 ZINC000336124887 389624669 /nfs/dbraw/zinc/62/46/69/389624669.db2.gz FSEIQMPCKWKVOE-CQSZACIVSA-N 2 2 251.374 0.635 20 0 CCADLP C[C@@H]1CN(C(=O)C2(C[NH3+])CCCC2)C[C@H]1[NH+]1CCOCC1 ZINC000178860657 389625954 /nfs/dbraw/zinc/62/59/54/389625954.db2.gz NKSDZZMJNXBVCL-ZIAGYGMSSA-N 2 2 295.427 0.685 20 0 CCADLP CCN(CC)C(=O)C[NH+]1CCN(C[C@H]([NH3+])CC(C)C)CC1 ZINC000414674348 389625932 /nfs/dbraw/zinc/62/59/32/389625932.db2.gz DRBWCEKFDWMKLX-OAHLLOKOSA-N 2 2 298.475 0.846 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCCC[C@@]1(C)C(N)=O)C1CC1 ZINC000351596412 389626547 /nfs/dbraw/zinc/62/65/47/389626547.db2.gz SNYOKHQJCQAGFD-JSGCOSHPSA-N 2 2 269.389 0.171 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCCC[C@@]1(C)C(N)=O)C1CC1 ZINC000351596412 389626549 /nfs/dbraw/zinc/62/65/49/389626549.db2.gz SNYOKHQJCQAGFD-JSGCOSHPSA-N 2 2 269.389 0.171 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCCC[C@@]1(C)C(N)=O)C1CC1 ZINC000351596412 389626551 /nfs/dbraw/zinc/62/65/51/389626551.db2.gz SNYOKHQJCQAGFD-JSGCOSHPSA-N 2 2 269.389 0.171 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCCC[C@@]1(C)C(N)=O)C1CC1 ZINC000351596412 389626552 /nfs/dbraw/zinc/62/65/52/389626552.db2.gz SNYOKHQJCQAGFD-JSGCOSHPSA-N 2 2 269.389 0.171 20 0 CCADLP COc1cc(C[NH2+]C[C@H]2C[NH2+]CCN2C)cc2c1OCO2 ZINC000414964619 389647846 /nfs/dbraw/zinc/64/78/46/389647846.db2.gz MNVUEPLQDNARRO-GFCCVEGCSA-N 2 2 293.367 0.417 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCCN(C(=O)C2CC2)CC1)C1CC1 ZINC000351652561 389648077 /nfs/dbraw/zinc/64/80/77/389648077.db2.gz SIHXSNWRABYNDX-OAHLLOKOSA-N 2 2 295.427 0.386 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCN(C(=O)C2CC2)CC1)C1CC1 ZINC000351652561 389648080 /nfs/dbraw/zinc/64/80/80/389648080.db2.gz SIHXSNWRABYNDX-OAHLLOKOSA-N 2 2 295.427 0.386 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCCN(C(=O)C2CC2)CC1)C1CC1 ZINC000351652561 389648084 /nfs/dbraw/zinc/64/80/84/389648084.db2.gz SIHXSNWRABYNDX-OAHLLOKOSA-N 2 2 295.427 0.386 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCCN(C(=O)C2CC2)CC1)C1CC1 ZINC000351652561 389648088 /nfs/dbraw/zinc/64/80/88/389648088.db2.gz SIHXSNWRABYNDX-OAHLLOKOSA-N 2 2 295.427 0.386 20 0 CCADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000414967103 389649018 /nfs/dbraw/zinc/64/90/18/389649018.db2.gz PNHZCRVKISLSGO-HNNXBMFYSA-N 2 2 289.427 0.675 20 0 CCADLP CN(C)C(=O)COc1ccccc1C[NH2+]CC(C)(C)[NH3+] ZINC000414800700 389637810 /nfs/dbraw/zinc/63/78/10/389637810.db2.gz IGPHHBGBAXEOMJ-UHFFFAOYSA-N 2 2 279.384 0.981 20 0 CCADLP CCOC(=O)Cn1nc(C)c(C[NH2+]C[C@@H]([NH3+])C2CC2)c1C ZINC000414883836 389643001 /nfs/dbraw/zinc/64/30/01/389643001.db2.gz DQTPKXGSOZHZDP-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP C[NH+](C)C1(CNC(=O)CCc2c[nH+]c[nH]2)CCC1 ZINC000282005470 389644539 /nfs/dbraw/zinc/64/45/39/389644539.db2.gz WNGGVZJCGGJPCC-UHFFFAOYSA-N 2 2 250.346 0.943 20 0 CCADLP C[NH+](C)C1(CNC(=O)CCc2c[nH]c[nH+]2)CCC1 ZINC000282005470 389644541 /nfs/dbraw/zinc/64/45/41/389644541.db2.gz WNGGVZJCGGJPCC-UHFFFAOYSA-N 2 2 250.346 0.943 20 0 CCADLP COc1cc(C[NH2+][C@H](C)C[NH3+])cc2c1OCCO2 ZINC000414927097 389645069 /nfs/dbraw/zinc/64/50/69/389645069.db2.gz KZLRRAQYRRIANI-SECBINFHSA-N 2 2 252.314 0.903 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC000279450094 389578161 /nfs/dbraw/zinc/57/81/61/389578161.db2.gz NZMWEFPFSMUQMK-UHFFFAOYSA-N 2 2 268.361 0.345 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC000279450094 389578164 /nfs/dbraw/zinc/57/81/64/389578164.db2.gz NZMWEFPFSMUQMK-UHFFFAOYSA-N 2 2 268.361 0.345 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)Cc1[nH+]c[nH]c1C ZINC000279450094 389578166 /nfs/dbraw/zinc/57/81/66/389578166.db2.gz NZMWEFPFSMUQMK-UHFFFAOYSA-N 2 2 268.361 0.345 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)Cc1[nH+]c[nH]c1C ZINC000279450094 389578168 /nfs/dbraw/zinc/57/81/68/389578168.db2.gz NZMWEFPFSMUQMK-UHFFFAOYSA-N 2 2 268.361 0.345 20 0 CCADLP CC(C)[C@H](C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)[C@H](C)[NH3+] ZINC000423427630 389584679 /nfs/dbraw/zinc/58/46/79/389584679.db2.gz JFWXCKKVQUXVEB-XQLPTFJDSA-N 2 2 297.443 0.785 20 0 CCADLP CC[N@H+](CC(=O)NC(C)(C)C[NH+]1CCOCC1)C1CC1 ZINC000413961354 389585890 /nfs/dbraw/zinc/58/58/90/389585890.db2.gz SPCAALDLVADNGL-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP CC[N@@H+](CC(=O)NC(C)(C)C[NH+]1CCOCC1)C1CC1 ZINC000413961354 389585893 /nfs/dbraw/zinc/58/58/93/389585893.db2.gz SPCAALDLVADNGL-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC[NH2+]CCC ZINC000423455435 389589965 /nfs/dbraw/zinc/58/99/65/389589965.db2.gz FDPPFVICZMSUEI-ZDUSSCGKSA-N 2 2 271.405 0.603 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC[NH2+]CCC ZINC000423455435 389589970 /nfs/dbraw/zinc/58/99/70/389589970.db2.gz FDPPFVICZMSUEI-ZDUSSCGKSA-N 2 2 271.405 0.603 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC1([NH3+])CCC1 ZINC000423512780 389597621 /nfs/dbraw/zinc/59/76/21/389597621.db2.gz QIIYBDPSGWZCHQ-GFCCVEGCSA-N 2 2 269.389 0.485 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC1([NH3+])CCC1 ZINC000423512780 389597626 /nfs/dbraw/zinc/59/76/26/389597626.db2.gz QIIYBDPSGWZCHQ-GFCCVEGCSA-N 2 2 269.389 0.485 20 0 CCADLP COC[C@]1(C[NH2+]Cc2cccc(C(N)=O)c2)CCC[NH2+]1 ZINC000414948948 389646163 /nfs/dbraw/zinc/64/61/63/389646163.db2.gz YOROCKYLGANBHE-OAHLLOKOSA-N 2 2 277.368 0.644 20 0 CCADLP CCn1cc(C[NH2+]C[C@@]2(COC)CCC[NH2+]2)cn1 ZINC000414935966 389646688 /nfs/dbraw/zinc/64/66/88/389646688.db2.gz BJZFXLYDUOWZTM-CYBMUJFWSA-N 2 2 252.362 0.761 20 0 CCADLP CC[N@@H+]1CCCN(C(=O)NCC[NH+]2CCOC[C@@H]2C)CC1 ZINC000428693328 389714604 /nfs/dbraw/zinc/71/46/04/389714604.db2.gz ZBSKGPJDRYYBQE-AWEZNQCLSA-N 2 2 298.431 0.444 20 0 CCADLP CC[N@H+]1CCCN(C(=O)NCC[NH+]2CCOC[C@@H]2C)CC1 ZINC000428693328 389714607 /nfs/dbraw/zinc/71/46/07/389714607.db2.gz ZBSKGPJDRYYBQE-AWEZNQCLSA-N 2 2 298.431 0.444 20 0 CCADLP CC[NH+]1CCCN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000428693328 389714610 /nfs/dbraw/zinc/71/46/10/389714610.db2.gz ZBSKGPJDRYYBQE-AWEZNQCLSA-N 2 2 298.431 0.444 20 0 CCADLP CC[NH+]1CCCN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000428693328 389714615 /nfs/dbraw/zinc/71/46/15/389714615.db2.gz ZBSKGPJDRYYBQE-AWEZNQCLSA-N 2 2 298.431 0.444 20 0 CCADLP CC(=O)NC[C@H]1C[N@H+](CCCn2cc[nH+]c2)CCO1 ZINC000182788886 389717179 /nfs/dbraw/zinc/71/71/79/389717179.db2.gz OEZBGVAWBVXZKI-ZDUSSCGKSA-N 2 2 266.345 0.110 20 0 CCADLP CC(=O)NC[C@H]1C[N@@H+](CCCn2cc[nH+]c2)CCO1 ZINC000182788886 389717182 /nfs/dbraw/zinc/71/71/82/389717182.db2.gz OEZBGVAWBVXZKI-ZDUSSCGKSA-N 2 2 266.345 0.110 20 0 CCADLP O=S1(=O)CCCN1[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000375922543 389725399 /nfs/dbraw/zinc/72/53/99/389725399.db2.gz ZJOPGFSGRSRJQK-ZDUSSCGKSA-N 2 2 298.412 0.383 20 0 CCADLP O=S1(=O)CCCN1[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000375922543 389725401 /nfs/dbraw/zinc/72/54/01/389725401.db2.gz ZJOPGFSGRSRJQK-ZDUSSCGKSA-N 2 2 298.412 0.383 20 0 CCADLP OCCO[C@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000182783739 389717337 /nfs/dbraw/zinc/71/73/37/389717337.db2.gz RISBCAGWJLYVFI-ZDUSSCGKSA-N 2 2 253.346 0.747 20 0 CCADLP OCCO[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000182783739 389717340 /nfs/dbraw/zinc/71/73/40/389717340.db2.gz RISBCAGWJLYVFI-ZDUSSCGKSA-N 2 2 253.346 0.747 20 0 CCADLP CCN(CC)c1ncc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)s1 ZINC000414970194 389649182 /nfs/dbraw/zinc/64/91/82/389649182.db2.gz UJWRQRCKGRLAJR-LBPRGKRZSA-N 2 2 297.472 0.983 20 0 CCADLP Cn1c(C[NH2+]C[C@@H]2C[NH2+]CCN2C)nc2ccccc21 ZINC000414968005 389649398 /nfs/dbraw/zinc/64/93/98/389649398.db2.gz QXQCTMRQNXVVBL-LBPRGKRZSA-N 2 2 273.384 0.567 20 0 CCADLP COc1cccc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)c1OC ZINC000414966615 389649501 /nfs/dbraw/zinc/64/95/01/389649501.db2.gz OTDPMHHLGJXVBK-ZDUSSCGKSA-N 2 2 279.384 0.697 20 0 CCADLP CCOc1cccc(C[NH2+]C[C@H]2C[NH2+]CCO2)n1 ZINC000415096820 389658236 /nfs/dbraw/zinc/65/82/36/389658236.db2.gz QWLKIPXXRPFGQR-GFCCVEGCSA-N 2 2 251.330 0.558 20 0 CCADLP [NH3+]CC(F)(F)CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000375296709 389662323 /nfs/dbraw/zinc/66/23/23/389662323.db2.gz FLEILQAEHHKYFX-GFCCVEGCSA-N 2 2 298.337 0.756 20 0 CCADLP [NH3+]CC(F)(F)CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000375296709 389662325 /nfs/dbraw/zinc/66/23/25/389662325.db2.gz FLEILQAEHHKYFX-GFCCVEGCSA-N 2 2 298.337 0.756 20 0 CCADLP C[N@@H+](C[C@H]1CCS(=O)(=O)C1)C[C@H]1CCC[NH+](C)C1 ZINC000336694006 389662647 /nfs/dbraw/zinc/66/26/47/389662647.db2.gz DFLJPAWYXBESAV-QWHCGFSZSA-N 2 2 274.430 0.695 20 0 CCADLP C[NH+](C[C@H]1CCS(=O)(=O)C1)C[C@H]1CCC[N@H+](C)C1 ZINC000336694006 389662649 /nfs/dbraw/zinc/66/26/49/389662649.db2.gz DFLJPAWYXBESAV-QWHCGFSZSA-N 2 2 274.430 0.695 20 0 CCADLP C[NH+](C[C@H]1CCS(=O)(=O)C1)C[C@H]1CCC[N@@H+](C)C1 ZINC000336694006 389662652 /nfs/dbraw/zinc/66/26/52/389662652.db2.gz DFLJPAWYXBESAV-QWHCGFSZSA-N 2 2 274.430 0.695 20 0 CCADLP CCOCCO[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351710449 389663291 /nfs/dbraw/zinc/66/32/91/389663291.db2.gz QSQLPYTUMLXPCR-HUUCEWRRSA-N 2 2 286.416 0.569 20 0 CCADLP CCOCCO[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351710449 389663294 /nfs/dbraw/zinc/66/32/94/389663294.db2.gz QSQLPYTUMLXPCR-HUUCEWRRSA-N 2 2 286.416 0.569 20 0 CCADLP CCOCCO[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000351710449 389663299 /nfs/dbraw/zinc/66/32/99/389663299.db2.gz QSQLPYTUMLXPCR-HUUCEWRRSA-N 2 2 286.416 0.569 20 0 CCADLP CCOCCO[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351710449 389663302 /nfs/dbraw/zinc/66/33/02/389663302.db2.gz QSQLPYTUMLXPCR-HUUCEWRRSA-N 2 2 286.416 0.569 20 0 CCADLP CC[C@H](C)NC(=O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180943864 389678264 /nfs/dbraw/zinc/67/82/64/389678264.db2.gz IMNUXGXSNYLADM-AWEZNQCLSA-N 2 2 298.475 0.859 20 0 CCADLP CC[C@H](C)NC(=O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180943864 389678267 /nfs/dbraw/zinc/67/82/67/389678267.db2.gz IMNUXGXSNYLADM-AWEZNQCLSA-N 2 2 298.475 0.859 20 0 CCADLP CC[C@H](C)NC(=O)CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000180943864 389678270 /nfs/dbraw/zinc/67/82/70/389678270.db2.gz IMNUXGXSNYLADM-AWEZNQCLSA-N 2 2 298.475 0.859 20 0 CCADLP CC[C@H](C)NC(=O)CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000180943864 389678273 /nfs/dbraw/zinc/67/82/73/389678273.db2.gz IMNUXGXSNYLADM-AWEZNQCLSA-N 2 2 298.475 0.859 20 0 CCADLP C[C@H]1CC[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)CS1(=O)=O ZINC000657637851 413041839 /nfs/dbraw/zinc/04/18/39/413041839.db2.gz KKZAMYZNCOYIKD-WDEREUQCSA-N 2 2 283.397 0.885 20 0 CCADLP COC1(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)CCOCC1 ZINC000428859231 389724348 /nfs/dbraw/zinc/72/43/48/389724348.db2.gz ZBZZGMLMSAZIDU-GFCCVEGCSA-N 2 2 265.357 0.983 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377755480 389752333 /nfs/dbraw/zinc/75/23/33/389752333.db2.gz HAQDHAQXGQDTMH-AEGPPILISA-N 2 2 295.427 0.459 20 0 CCADLP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)NC2CCOCC2)CC1 ZINC000429527340 389758901 /nfs/dbraw/zinc/75/89/01/389758901.db2.gz JPYKFHAKTZPYFR-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)NC2CCOCC2)CC1 ZINC000429527340 389758903 /nfs/dbraw/zinc/75/89/03/389758903.db2.gz JPYKFHAKTZPYFR-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[C@@](C)([NH2+]CCC(=O)N1CC[NH+](C)CC1)C(=O)OC ZINC000429668473 389763450 /nfs/dbraw/zinc/76/34/50/389763450.db2.gz CGKPKUHVJTWUNZ-OAHLLOKOSA-N 2 2 299.415 0.472 20 0 CCADLP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000352178254 389766058 /nfs/dbraw/zinc/76/60/58/389766058.db2.gz LFKYHQWFJRYADM-KBPBESRZSA-N 2 2 285.432 0.990 20 0 CCADLP CC[N@H+](C[C@@H](C)O)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000352194875 389768770 /nfs/dbraw/zinc/76/87/70/389768770.db2.gz MGNWVURUAPZUMK-OLZOCXBDSA-N 2 2 271.405 0.242 20 0 CCADLP CC[N@@H+](C[C@@H](C)O)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000352194875 389768774 /nfs/dbraw/zinc/76/87/74/389768774.db2.gz MGNWVURUAPZUMK-OLZOCXBDSA-N 2 2 271.405 0.242 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)CC1(O)CCCC1 ZINC000388916299 389770724 /nfs/dbraw/zinc/77/07/24/389770724.db2.gz WCIJBDXGQDDKSK-ZDUSSCGKSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)CC1(O)CCCC1 ZINC000388916299 389770725 /nfs/dbraw/zinc/77/07/25/389770725.db2.gz WCIJBDXGQDDKSK-ZDUSSCGKSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)CC1(O)CCCC1 ZINC000388916299 389770726 /nfs/dbraw/zinc/77/07/26/389770726.db2.gz WCIJBDXGQDDKSK-ZDUSSCGKSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)CC1(O)CCCC1 ZINC000388916299 389770727 /nfs/dbraw/zinc/77/07/27/389770727.db2.gz WCIJBDXGQDDKSK-ZDUSSCGKSA-N 2 2 274.405 0.162 20 0 CCADLP [NH3+]CCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000416818160 389773757 /nfs/dbraw/zinc/77/37/57/389773757.db2.gz QPBGUYKDMVGUKE-CQSZACIVSA-N 2 2 292.383 0.145 20 0 CCADLP [NH3+]CCNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000416818160 389773761 /nfs/dbraw/zinc/77/37/61/389773761.db2.gz QPBGUYKDMVGUKE-CQSZACIVSA-N 2 2 292.383 0.145 20 0 CCADLP C[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[NH2+]1 ZINC000416834336 389775349 /nfs/dbraw/zinc/77/53/49/389775349.db2.gz WWUNRAOUMPBGTK-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP CC1(C)CCC[NH2+][C@@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000416857116 389776570 /nfs/dbraw/zinc/77/65/70/389776570.db2.gz RNSVTJZAJBQGNW-GFCCVEGCSA-N 2 2 279.388 0.961 20 0 CCADLP CCCC[C@H](C[NH3+])NC(=O)NCCn1cc[nH+]c1 ZINC000416860696 389777089 /nfs/dbraw/zinc/77/70/89/389777089.db2.gz VWGLJYNBOSLCNQ-LLVKDONJSA-N 2 2 253.350 0.700 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416951125 389784201 /nfs/dbraw/zinc/78/42/01/389784201.db2.gz HZGWMOBJIUEAHV-STQMWFEESA-N 2 2 292.383 0.731 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416951125 389784202 /nfs/dbraw/zinc/78/42/02/389784202.db2.gz HZGWMOBJIUEAHV-STQMWFEESA-N 2 2 292.383 0.731 20 0 CCADLP CN(C)c1ccc(CNC(=O)NC[C@@H]2CCC[NH2+]C2)c[nH+]1 ZINC000417027545 389791027 /nfs/dbraw/zinc/79/10/27/389791027.db2.gz ZXVAUYYWRSEXJV-GFCCVEGCSA-N 2 2 291.399 0.946 20 0 CCADLP C[NH2+]C[C@H]1CCCN1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000417043877 389791419 /nfs/dbraw/zinc/79/14/19/389791419.db2.gz YDGLSTUOFNQRDI-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H](C[NH3+])NC(=O)NCCCNc1cccc[nH+]1 ZINC000417086173 389795906 /nfs/dbraw/zinc/79/59/06/389795906.db2.gz YHIDETWMWSQGPI-SNVBAGLBSA-N 2 2 251.334 0.530 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000352074009 389746586 /nfs/dbraw/zinc/74/65/86/389746586.db2.gz KMFJGIPPWNITEM-QWHCGFSZSA-N 2 2 291.461 0.682 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000352074009 389746589 /nfs/dbraw/zinc/74/65/89/389746589.db2.gz KMFJGIPPWNITEM-QWHCGFSZSA-N 2 2 291.461 0.682 20 0 CCADLP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)Nc1ccc(N)[nH+]c1 ZINC000377387984 389748988 /nfs/dbraw/zinc/74/89/88/389748988.db2.gz CSRVFFMVGMMYNQ-NVBFEUDRSA-N 2 2 290.367 0.965 20 0 CCADLP CN(C(=O)[C@@H]1CCOC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377638327 389750743 /nfs/dbraw/zinc/75/07/43/389750743.db2.gz BPSKGXBJAOIRAS-HIFRSBDPSA-N 2 2 295.427 0.650 20 0 CCADLP CN(C(=O)[C@@H]1CCOC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377638327 389750747 /nfs/dbraw/zinc/75/07/47/389750747.db2.gz BPSKGXBJAOIRAS-HIFRSBDPSA-N 2 2 295.427 0.650 20 0 CCADLP CC(C)n1nccc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000575072776 335062172 /nfs/dbraw/zinc/06/21/72/335062172.db2.gz JYXISQNDNJZVOJ-CHWSQXEVSA-N 2 2 277.372 0.208 20 0 CCADLP CC(C)n1nccc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000575072776 335062174 /nfs/dbraw/zinc/06/21/74/335062174.db2.gz JYXISQNDNJZVOJ-CHWSQXEVSA-N 2 2 277.372 0.208 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)N3CC[NH2+]CC3)cn2c1 ZINC000417197865 389803014 /nfs/dbraw/zinc/80/30/14/389803014.db2.gz VITRJLFYWJTPHY-UHFFFAOYSA-N 2 2 273.340 0.758 20 0 CCADLP CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000352407012 389805603 /nfs/dbraw/zinc/80/56/03/389805603.db2.gz OMOQCCOJTZJZTN-GHMZBOCLSA-N 2 2 272.374 0.360 20 0 CCADLP CN(CC(F)(F)F)C(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000430567772 389808317 /nfs/dbraw/zinc/80/83/17/389808317.db2.gz JOVVBQRZVGMTDX-UHFFFAOYSA-N 2 2 269.311 0.924 20 0 CCADLP CN(CC(F)(F)F)C(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430567772 389808320 /nfs/dbraw/zinc/80/83/20/389808320.db2.gz JOVVBQRZVGMTDX-UHFFFAOYSA-N 2 2 269.311 0.924 20 0 CCADLP COCCc1noc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000430567170 389808573 /nfs/dbraw/zinc/80/85/73/389808573.db2.gz AHNSCQWQMQOCBE-GHMZBOCLSA-N 2 2 268.361 0.818 20 0 CCADLP COCCc1noc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000430567170 389808576 /nfs/dbraw/zinc/80/85/76/389808576.db2.gz AHNSCQWQMQOCBE-GHMZBOCLSA-N 2 2 268.361 0.818 20 0 CCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC000430565543 389808660 /nfs/dbraw/zinc/80/86/60/389808660.db2.gz AGDQPJUQUDFUDY-CYBMUJFWSA-N 2 2 263.345 0.486 20 0 CCADLP C[C@@](C[NH3+])([NH2+]CC(=O)NC(=O)NCC(F)(F)F)C1CC1 ZINC000430575036 389809407 /nfs/dbraw/zinc/80/94/07/389809407.db2.gz PQDBOXPOVHEKCZ-JTQLQIEISA-N 2 2 296.293 0.092 20 0 CCADLP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000430610711 389812962 /nfs/dbraw/zinc/81/29/62/389812962.db2.gz LMCHDQQDELEOGC-UHFFFAOYSA-N 2 2 290.367 0.409 20 0 CCADLP NC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[NH2+]CC2)cc1 ZINC000430610711 389812963 /nfs/dbraw/zinc/81/29/63/389812963.db2.gz LMCHDQQDELEOGC-UHFFFAOYSA-N 2 2 290.367 0.409 20 0 CCADLP Cc1ccc([C@@H]([NH3+])C(=O)NCC[N@H+]2CCOC[C@H]2C)cc1 ZINC000430633845 389815016 /nfs/dbraw/zinc/81/50/16/389815016.db2.gz QLISXNCGRDQFNN-UKRRQHHQSA-N 2 2 291.395 0.832 20 0 CCADLP Cc1ccc([C@@H]([NH3+])C(=O)NCC[N@@H+]2CCOC[C@H]2C)cc1 ZINC000430633845 389815019 /nfs/dbraw/zinc/81/50/19/389815019.db2.gz QLISXNCGRDQFNN-UKRRQHHQSA-N 2 2 291.395 0.832 20 0 CCADLP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000417422425 389815215 /nfs/dbraw/zinc/81/52/15/389815215.db2.gz KYDBTVOKWGXLBZ-STQMWFEESA-N 2 2 298.431 0.476 20 0 CCADLP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000417422425 389815217 /nfs/dbraw/zinc/81/52/17/389815217.db2.gz KYDBTVOKWGXLBZ-STQMWFEESA-N 2 2 298.431 0.476 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)COC3C[NH2+]C3)cn21 ZINC000430709291 389819201 /nfs/dbraw/zinc/81/92/01/389819201.db2.gz MVIGEXSXRANRRT-UHFFFAOYSA-N 2 2 274.324 0.247 20 0 CCADLP Cc1cccn2cc(CNC(=O)COC3C[NH2+]C3)[nH+]c12 ZINC000430736783 389822446 /nfs/dbraw/zinc/82/24/46/389822446.db2.gz VACOHRHGFXVJSU-UHFFFAOYSA-N 2 2 274.324 0.247 20 0 CCADLP CCC[NH2+]CCNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000417522220 389825706 /nfs/dbraw/zinc/82/57/06/389825706.db2.gz QAUQLHZIOGFMSR-CHWSQXEVSA-N 2 2 286.420 0.394 20 0 CCADLP C[C@H]([C@H](C)NC(=O)NC[C@@H]([NH3+])C1CC1)[NH+]1CCOCC1 ZINC000417527353 389826791 /nfs/dbraw/zinc/82/67/91/389826791.db2.gz VLHUNQYUAQZUKD-DMDPSCGWSA-N 2 2 284.404 0.132 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000417527975 389826881 /nfs/dbraw/zinc/82/68/81/389826881.db2.gz OOZJASVOIQEKFE-ZDUSSCGKSA-N 2 2 298.431 0.396 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000417527975 389826882 /nfs/dbraw/zinc/82/68/82/389826882.db2.gz OOZJASVOIQEKFE-ZDUSSCGKSA-N 2 2 298.431 0.396 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000417529250 389827292 /nfs/dbraw/zinc/82/72/92/389827292.db2.gz QNAHEVVTIIXCTM-JHJVBQTASA-N 2 2 284.404 0.086 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000417529250 389827293 /nfs/dbraw/zinc/82/72/93/389827293.db2.gz QNAHEVVTIIXCTM-JHJVBQTASA-N 2 2 284.404 0.086 20 0 CCADLP C[N@@H+]1CCN(CC[NH2+]Cc2ccn[nH]2)CC1(C)C ZINC000441335985 389830490 /nfs/dbraw/zinc/83/04/90/389830490.db2.gz RMPWZLGGPDFLLJ-UHFFFAOYSA-N 2 2 251.378 0.525 20 0 CCADLP C[N@H+]1CCN(CC[NH2+]Cc2ccn[nH]2)CC1(C)C ZINC000441335985 389830492 /nfs/dbraw/zinc/83/04/92/389830492.db2.gz RMPWZLGGPDFLLJ-UHFFFAOYSA-N 2 2 251.378 0.525 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000430937670 389837719 /nfs/dbraw/zinc/83/77/19/389837719.db2.gz DJHRXTJDJQTOLH-STQMWFEESA-N 2 2 271.405 0.459 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000430937670 389837721 /nfs/dbraw/zinc/83/77/21/389837721.db2.gz DJHRXTJDJQTOLH-STQMWFEESA-N 2 2 271.405 0.459 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C[C@H](O)C[NH+]1CCOCC1 ZINC000352814112 389837754 /nfs/dbraw/zinc/83/77/54/389837754.db2.gz DPFIWVWOUJLMRE-OWCLPIDISA-N 2 2 297.443 0.238 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(C)(C)C[NH3+])CC2)CC1 ZINC000431051226 389847991 /nfs/dbraw/zinc/84/79/91/389847991.db2.gz OSDFZCNUZBMMKV-UHFFFAOYSA-N 3 2 296.459 0.646 20 0 CCADLP CO[C@H](C[NH3+])C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000353423781 389850621 /nfs/dbraw/zinc/85/06/21/389850621.db2.gz DMFIPAKYOOTVDR-GFCCVEGCSA-N 2 2 280.372 0.402 20 0 CCADLP Cc1cc(NC(=O)C2CC[NH+](C[C@H](C)[NH3+])CC2)no1 ZINC000442664123 389854731 /nfs/dbraw/zinc/85/47/31/389854731.db2.gz LOGYIYUWFNSFRA-VIFPVBQESA-N 2 2 266.345 0.403 20 0 CCADLP CCOCC1(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000442689443 389856215 /nfs/dbraw/zinc/85/62/15/389856215.db2.gz SGSZBTYKCCHJIG-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)c[nH+]1 ZINC000444182042 389895317 /nfs/dbraw/zinc/89/53/17/389895317.db2.gz KZYAZGAUMVWGCJ-WFASDCNBSA-N 2 2 274.368 0.763 20 0 CCADLP C[C@H](CNC(=O)c1coc(C[NH3+])c1)C[NH+]1CCN(C)CC1 ZINC000444273266 389899305 /nfs/dbraw/zinc/89/93/05/389899305.db2.gz ZRGXQXIVVGDXKD-GFCCVEGCSA-N 2 2 294.399 0.352 20 0 CCADLP C[C@H](CNC(=O)c1coc(C[NH3+])c1)CN1CC[NH+](C)CC1 ZINC000444273266 389899306 /nfs/dbraw/zinc/89/93/06/389899306.db2.gz ZRGXQXIVVGDXKD-GFCCVEGCSA-N 2 2 294.399 0.352 20 0 CCADLP CCOCC[C@H](O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000444661021 389911846 /nfs/dbraw/zinc/91/18/46/389911846.db2.gz HABJWHXLAGYJGT-ZDUSSCGKSA-N 2 2 282.388 0.330 20 0 CCADLP CCCCNc1cc(N2CCC[NH2+]CC2)nc(N)[nH+]1 ZINC000420172113 389962597 /nfs/dbraw/zinc/96/25/97/389962597.db2.gz SZGVTTAXDKCMDI-UHFFFAOYSA-N 2 2 264.377 0.901 20 0 CCADLP C[NH2+]C[C@H](C)CNc1cc(N2CCOCC2)nc[nH+]1 ZINC000420189087 389963859 /nfs/dbraw/zinc/96/38/59/389963859.db2.gz FUXLPRYVQUZKFF-NSHDSACASA-N 2 2 265.361 0.581 20 0 CCADLP C[NH2+]C[C@H](C)CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000420189087 389963862 /nfs/dbraw/zinc/96/38/62/389963862.db2.gz FUXLPRYVQUZKFF-NSHDSACASA-N 2 2 265.361 0.581 20 0 CCADLP CCc1noc([C@H](C)N2CC[NH+](CCC[NH2+]C)CC2)n1 ZINC000435870634 389964829 /nfs/dbraw/zinc/96/48/29/389964829.db2.gz GWUQVBYEHUBRML-LBPRGKRZSA-N 2 2 281.404 0.920 20 0 CCADLP Cc1nc(N2CC[C@@H](C)C[C@H]2C[NH3+])nc(N(C)C)[nH+]1 ZINC000420266094 389975507 /nfs/dbraw/zinc/97/55/07/389975507.db2.gz WQXUFGUNKHCDTF-KOLCDFICSA-N 2 2 264.377 0.810 20 0 CCADLP O=S1(=O)CC[C@H](C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000434543378 389937524 /nfs/dbraw/zinc/93/75/24/389937524.db2.gz GRNKNYYUKZBQNW-ZIAGYGMSSA-N 2 2 286.441 0.839 20 0 CCADLP O=S1(=O)CC[C@H](C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000434543378 389937526 /nfs/dbraw/zinc/93/75/26/389937526.db2.gz GRNKNYYUKZBQNW-ZIAGYGMSSA-N 2 2 286.441 0.839 20 0 CCADLP C[NH+](C)CC[C@](C)(O)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000420056137 389949165 /nfs/dbraw/zinc/94/91/65/389949165.db2.gz ZCWKWMXOVWQLIH-HNNXBMFYSA-N 2 2 290.367 0.767 20 0 CCADLP COCCO[C@@H]1C[C@@H](CO)C[N@H+](CCn2cc[nH+]c2)C1 ZINC000447392466 389953479 /nfs/dbraw/zinc/95/34/79/389953479.db2.gz HNVMDSCGLYCPOZ-ZIAGYGMSSA-N 2 2 283.372 0.229 20 0 CCADLP COCCO[C@@H]1C[C@@H](CO)C[N@@H+](CCn2cc[nH+]c2)C1 ZINC000447392466 389953480 /nfs/dbraw/zinc/95/34/80/389953480.db2.gz HNVMDSCGLYCPOZ-ZIAGYGMSSA-N 2 2 283.372 0.229 20 0 CCADLP C[C@H]1CCCN(C(=O)C[NH2+][C@](C)(C[NH3+])C2CC2)C1 ZINC000420296673 389979428 /nfs/dbraw/zinc/97/94/28/389979428.db2.gz XOAAGJKTXQGAQD-SMDDNHRTSA-N 2 2 253.390 0.962 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420305816 389980567 /nfs/dbraw/zinc/98/05/67/389980567.db2.gz KMUPZUSZLOOAHX-HUUCEWRRSA-N 3 2 294.443 0.272 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420305816 389980569 /nfs/dbraw/zinc/98/05/69/389980569.db2.gz KMUPZUSZLOOAHX-HUUCEWRRSA-N 3 2 294.443 0.272 20 0 CCADLP C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000420343926 389986694 /nfs/dbraw/zinc/98/66/94/389986694.db2.gz XDEUITTXBMGTPY-WTIISPKJSA-N 2 2 296.415 0.812 20 0 CCADLP C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000420343926 389986695 /nfs/dbraw/zinc/98/66/95/389986695.db2.gz XDEUITTXBMGTPY-WTIISPKJSA-N 2 2 296.415 0.812 20 0 CCADLP C[C@H](NC(=O)[C@H](C)[N@H+](C)C[C@H](O)C[NH3+])c1ccc(F)cc1 ZINC000420348550 389988082 /nfs/dbraw/zinc/98/80/82/389988082.db2.gz ADTZECIHDCXGCZ-COPLHBTASA-N 2 2 297.374 0.643 20 0 CCADLP C[C@H](NC(=O)[C@H](C)[N@@H+](C)C[C@H](O)C[NH3+])c1ccc(F)cc1 ZINC000420348550 389988084 /nfs/dbraw/zinc/98/80/84/389988084.db2.gz ADTZECIHDCXGCZ-COPLHBTASA-N 2 2 297.374 0.643 20 0 CCADLP C[C@H](C(=O)N1CCc2ccccc21)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420350465 389988195 /nfs/dbraw/zinc/98/81/95/389988195.db2.gz GYUZDLIZIRRKKM-DGCLKSJQSA-N 2 2 277.368 0.216 20 0 CCADLP C[C@H](C(=O)N1CCc2ccccc21)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420350465 389988197 /nfs/dbraw/zinc/98/81/97/389988197.db2.gz GYUZDLIZIRRKKM-DGCLKSJQSA-N 2 2 277.368 0.216 20 0 CCADLP CC(C)N(C(=O)C[N@H+](C)C[C@@H](O)C[NH3+])C1CCCC1 ZINC000420350924 389989192 /nfs/dbraw/zinc/98/91/92/389989192.db2.gz ILNABGQXGWTJGJ-ZDUSSCGKSA-N 2 2 271.405 0.417 20 0 CCADLP CC(C)N(C(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])C1CCCC1 ZINC000420350924 389989195 /nfs/dbraw/zinc/98/91/95/389989195.db2.gz ILNABGQXGWTJGJ-ZDUSSCGKSA-N 2 2 271.405 0.417 20 0 CCADLP C[N@@H+](CC(=O)NCc1cccc(Cl)c1)C[C@@H](O)C[NH3+] ZINC000420352879 389989683 /nfs/dbraw/zinc/98/96/83/389989683.db2.gz MYBRQJYHIYUHMI-LBPRGKRZSA-N 2 2 285.775 0.208 20 0 CCADLP C[N@H+](CC(=O)NCc1cccc(Cl)c1)C[C@@H](O)C[NH3+] ZINC000420352879 389989684 /nfs/dbraw/zinc/98/96/84/389989684.db2.gz MYBRQJYHIYUHMI-LBPRGKRZSA-N 2 2 285.775 0.208 20 0 CCADLP Cc1cccc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000420358176 389991039 /nfs/dbraw/zinc/99/10/39/389991039.db2.gz SZBFUWJJIGRSNI-YPMHNXCESA-N 2 2 265.357 0.573 20 0 CCADLP Cc1cccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000420358176 389991040 /nfs/dbraw/zinc/99/10/40/389991040.db2.gz SZBFUWJJIGRSNI-YPMHNXCESA-N 2 2 265.357 0.573 20 0 CCADLP C[C@@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420403561 389997446 /nfs/dbraw/zinc/99/74/46/389997446.db2.gz LDRRXNGOCAKUKW-OUAUKWLOSA-N 2 2 293.419 0.328 20 0 CCADLP C[C@@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420403561 389997447 /nfs/dbraw/zinc/99/74/47/389997447.db2.gz LDRRXNGOCAKUKW-OUAUKWLOSA-N 2 2 293.419 0.328 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)[C@@H](C)C1 ZINC000451222286 390001228 /nfs/dbraw/zinc/00/12/28/390001228.db2.gz LPMOOTHJSUCGHH-XQLPTFJDSA-N 2 2 267.417 0.779 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)[C@@H](C)C1 ZINC000451222286 390001229 /nfs/dbraw/zinc/00/12/29/390001229.db2.gz LPMOOTHJSUCGHH-XQLPTFJDSA-N 2 2 267.417 0.779 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000453345698 390009881 /nfs/dbraw/zinc/00/98/81/390009881.db2.gz OKSSETGEWDPZBK-HNKHHVNMSA-N 2 2 279.428 0.922 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000453345698 390009883 /nfs/dbraw/zinc/00/98/83/390009883.db2.gz OKSSETGEWDPZBK-HNKHHVNMSA-N 2 2 279.428 0.922 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000420801380 390033032 /nfs/dbraw/zinc/03/30/32/390033032.db2.gz OPAWEDSCSPSXKW-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000420801380 390033033 /nfs/dbraw/zinc/03/30/33/390033033.db2.gz OPAWEDSCSPSXKW-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H](C(=O)NC(C)(C)C[NH+](C)C)[NH+]1CCOCC1 ZINC000457211197 390034610 /nfs/dbraw/zinc/03/46/10/390034610.db2.gz QUVHPFHROUPTMQ-LLVKDONJSA-N 2 2 257.378 0.164 20 0 CCADLP CC[N@H+](CCO)CCNC(=O)NCc1c[nH+]c(C)cc1C ZINC000459080070 390069149 /nfs/dbraw/zinc/06/91/49/390069149.db2.gz PNVBIGZEWKPHJJ-UHFFFAOYSA-N 2 2 294.399 0.812 20 0 CCADLP CC[N@@H+](CCO)CCNC(=O)NCc1c[nH+]c(C)cc1C ZINC000459080070 390069150 /nfs/dbraw/zinc/06/91/50/390069150.db2.gz PNVBIGZEWKPHJJ-UHFFFAOYSA-N 2 2 294.399 0.812 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000478963408 390081113 /nfs/dbraw/zinc/08/11/13/390081113.db2.gz VBUQSPQXTWBZEI-XQQFMLRXSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000478963408 390081114 /nfs/dbraw/zinc/08/11/14/390081114.db2.gz VBUQSPQXTWBZEI-XQQFMLRXSA-N 2 2 269.389 0.211 20 0 CCADLP CC(C)[C@@H]1CN(CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000487970814 390090962 /nfs/dbraw/zinc/09/09/62/390090962.db2.gz MDGJLDJVJWZLQT-AWEZNQCLSA-N 2 2 255.406 0.591 20 0 CCADLP CC(C)[C@@H]1CN(CC[NH+]2CCOCC2)CC[N@H+]1C ZINC000487970814 390090963 /nfs/dbraw/zinc/09/09/63/390090963.db2.gz MDGJLDJVJWZLQT-AWEZNQCLSA-N 2 2 255.406 0.591 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000493150708 390119615 /nfs/dbraw/zinc/11/96/15/390119615.db2.gz IONQTOBVDOCKHH-MUBLQREKSA-N 2 2 292.383 0.441 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000493150708 390119616 /nfs/dbraw/zinc/11/96/16/390119616.db2.gz IONQTOBVDOCKHH-MUBLQREKSA-N 2 2 292.383 0.441 20 0 CCADLP CC[NH+](CC)CCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000489494448 390100709 /nfs/dbraw/zinc/10/07/09/390100709.db2.gz JMVIBPDWEXRPKJ-UHFFFAOYSA-N 2 2 252.366 0.422 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000490790579 390107876 /nfs/dbraw/zinc/10/78/76/390107876.db2.gz CLUQTIDOVDRGOT-LBPRGKRZSA-N 2 2 288.355 0.784 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000457713038 390048629 /nfs/dbraw/zinc/04/86/29/390048629.db2.gz APIZIEDKSRHSQV-UHFFFAOYSA-N 2 2 266.345 0.559 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000457733272 390049120 /nfs/dbraw/zinc/04/91/20/390049120.db2.gz ZWKXTMKLYRKYAI-HNNXBMFYSA-N 2 2 295.427 0.696 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000457733272 390049121 /nfs/dbraw/zinc/04/91/21/390049121.db2.gz ZWKXTMKLYRKYAI-HNNXBMFYSA-N 2 2 295.427 0.696 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C\C[NH+](C)C ZINC000491850077 390117388 /nfs/dbraw/zinc/11/73/88/390117388.db2.gz PQXIBJVNMRXVTL-SREVYHEPSA-N 3 2 296.459 0.589 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C\C[NH+](C)C ZINC000491850077 390117389 /nfs/dbraw/zinc/11/73/89/390117389.db2.gz PQXIBJVNMRXVTL-SREVYHEPSA-N 3 2 296.459 0.589 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N1CCC[N@H+](C)CC1 ZINC000458815945 390063712 /nfs/dbraw/zinc/06/37/12/390063712.db2.gz TYUDYTHORXNPFI-UHFFFAOYSA-N 2 2 278.356 0.937 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N1CCC[N@@H+](C)CC1 ZINC000458815945 390063713 /nfs/dbraw/zinc/06/37/13/390063713.db2.gz TYUDYTHORXNPFI-UHFFFAOYSA-N 2 2 278.356 0.937 20 0 CCADLP CN1CCC[C@H]([N@H+](C)CCCn2cc[nH+]c2)C1=O ZINC000537610431 390182071 /nfs/dbraw/zinc/18/20/71/390182071.db2.gz JACWOGQHFIARFT-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP CN1CCC[C@H]([N@@H+](C)CCCn2cc[nH+]c2)C1=O ZINC000537610431 390182074 /nfs/dbraw/zinc/18/20/74/390182074.db2.gz JACWOGQHFIARFT-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1Nc1ncnc2c1C[N@H+](C)CC2 ZINC000579573737 390185378 /nfs/dbraw/zinc/18/53/78/390185378.db2.gz SVBLIYIUNGGQIW-ZWNOBZJWSA-N 2 2 261.373 0.874 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1Nc1ncnc2c1C[N@@H+](C)CC2 ZINC000579573737 390185380 /nfs/dbraw/zinc/18/53/80/390185380.db2.gz SVBLIYIUNGGQIW-ZWNOBZJWSA-N 2 2 261.373 0.874 20 0 CCADLP Cn1c(C[N@H+](C)CCN2CC[NH2+]CC2)nnc1C1CCC1 ZINC000647836159 390187050 /nfs/dbraw/zinc/18/70/50/390187050.db2.gz DHXVGVULMVLPNS-UHFFFAOYSA-N 2 2 292.431 0.420 20 0 CCADLP Cn1c(C[N@@H+](C)CCN2CC[NH2+]CC2)nnc1C1CCC1 ZINC000647836159 390187052 /nfs/dbraw/zinc/18/70/52/390187052.db2.gz DHXVGVULMVLPNS-UHFFFAOYSA-N 2 2 292.431 0.420 20 0 CCADLP Cc1ccc(/C=C/C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000493395995 390124736 /nfs/dbraw/zinc/12/47/36/390124736.db2.gz DRZYJGNKCUEHLU-GJBLVYBDSA-N 2 2 274.368 0.505 20 0 CCADLP Cc1ccc(/C=C/C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000493395995 390124737 /nfs/dbraw/zinc/12/47/37/390124737.db2.gz DRZYJGNKCUEHLU-GJBLVYBDSA-N 2 2 274.368 0.505 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493448276 390125824 /nfs/dbraw/zinc/12/58/24/390125824.db2.gz ICPBTHIMVAEWOT-AAOUONPWSA-N 2 2 278.356 0.338 20 0 CCADLP C[N@@H+]1CCN(C(=O)/C=C\c2cncc(F)c2)[C@@H](C[NH3+])C1 ZINC000493862741 390130111 /nfs/dbraw/zinc/13/01/11/390130111.db2.gz YUIFZQXASGKCLJ-ZRMMWKCHSA-N 2 2 278.331 0.335 20 0 CCADLP C[N@H+]1CCN(C(=O)/C=C\c2cncc(F)c2)[C@@H](C[NH3+])C1 ZINC000493862741 390130112 /nfs/dbraw/zinc/13/01/12/390130112.db2.gz YUIFZQXASGKCLJ-ZRMMWKCHSA-N 2 2 278.331 0.335 20 0 CCADLP Cc1cncc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000579098128 390140539 /nfs/dbraw/zinc/14/05/39/390140539.db2.gz FBPPWRFKYQLLIS-ZDUSSCGKSA-N 2 2 277.372 0.174 20 0 CCADLP Cc1cncc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000579098128 390140541 /nfs/dbraw/zinc/14/05/41/390140541.db2.gz FBPPWRFKYQLLIS-ZDUSSCGKSA-N 2 2 277.372 0.174 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CCCN2CCCC2=O)CC1 ZINC000536353222 390160484 /nfs/dbraw/zinc/16/04/84/390160484.db2.gz HEPRACOAPJVVAV-UHFFFAOYSA-N 2 2 291.399 0.555 20 0 CCADLP C[C@@H](C(=O)N(C)CCC[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000537215012 390176277 /nfs/dbraw/zinc/17/62/77/390176277.db2.gz KFHKOHVTOKEAJK-ZDUSSCGKSA-N 2 2 270.421 0.032 20 0 CCADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000579709514 390200410 /nfs/dbraw/zinc/20/04/10/390200410.db2.gz ZIRQEVIMZZAQJE-QWHCGFSZSA-N 2 2 292.383 0.255 20 0 CCADLP O=C(C[N@H+](C[C@@H]1CC[NH2+]C1)C[C@@H]1CCCO1)N1CCCC1 ZINC000647889408 390209855 /nfs/dbraw/zinc/20/98/55/390209855.db2.gz OAVGMLHWDAHKOP-CABCVRRESA-N 2 2 295.427 0.699 20 0 CCADLP O=C(C[N@@H+](C[C@@H]1CC[NH2+]C1)C[C@@H]1CCCO1)N1CCCC1 ZINC000647889408 390209858 /nfs/dbraw/zinc/20/98/58/390209858.db2.gz OAVGMLHWDAHKOP-CABCVRRESA-N 2 2 295.427 0.699 20 0 CCADLP C[C@@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000647905596 390212851 /nfs/dbraw/zinc/21/28/51/390212851.db2.gz ZYVIIWKFADOTTJ-KXUCPTDWSA-N 2 2 279.392 0.080 20 0 CCADLP C[C@@H](c1nc(N)nc(N(C)C)n1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000647905596 390212854 /nfs/dbraw/zinc/21/28/54/390212854.db2.gz ZYVIIWKFADOTTJ-KXUCPTDWSA-N 2 2 279.392 0.080 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000580074703 390217678 /nfs/dbraw/zinc/21/76/78/390217678.db2.gz ZSXQDVGREIDPNT-RYUDHWBXSA-N 2 2 295.387 0.022 20 0 CCADLP CCC[NH+]1CCC([NH2+]C[C@@H]2CS(=O)(=O)CCO2)CC1 ZINC000540394028 390218897 /nfs/dbraw/zinc/21/88/97/390218897.db2.gz ZMPMPBIICQNJPV-CYBMUJFWSA-N 2 2 290.429 0.264 20 0 CCADLP CC(C)CCOCCNC(=O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000647925673 390219305 /nfs/dbraw/zinc/21/93/05/390219305.db2.gz SHDBOYGKNRQSAG-UHFFFAOYSA-N 2 2 285.432 0.979 20 0 CCADLP C[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)S(C)(=O)=O ZINC000580183002 390226445 /nfs/dbraw/zinc/22/64/45/390226445.db2.gz OBTNTSLSYCRMQL-CHWSQXEVSA-N 2 2 292.445 0.102 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC000281651172 195322429 /nfs/dbraw/zinc/32/24/29/195322429.db2.gz RLLILQFUMPTJFP-OLZOCXBDSA-N 2 2 280.372 0.187 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC000281651172 195322431 /nfs/dbraw/zinc/32/24/31/195322431.db2.gz RLLILQFUMPTJFP-OLZOCXBDSA-N 2 2 280.372 0.187 20 0 CCADLP CCCNC(=O)C1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000647963368 390229992 /nfs/dbraw/zinc/22/99/92/390229992.db2.gz RAIOYCXKFQXJOH-OAHLLOKOSA-N 2 2 299.459 0.926 20 0 CCADLP CCCNC(=O)C1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000647963368 390229997 /nfs/dbraw/zinc/22/99/97/390229997.db2.gz RAIOYCXKFQXJOH-OAHLLOKOSA-N 2 2 299.459 0.926 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000647964069 390231314 /nfs/dbraw/zinc/23/13/14/390231314.db2.gz PWKJXZNCVPBQFF-UONOGXRCSA-N 2 2 283.416 0.431 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000647964069 390231317 /nfs/dbraw/zinc/23/13/17/390231317.db2.gz PWKJXZNCVPBQFF-UONOGXRCSA-N 2 2 283.416 0.431 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000647964069 390231319 /nfs/dbraw/zinc/23/13/19/390231319.db2.gz PWKJXZNCVPBQFF-UONOGXRCSA-N 2 2 283.416 0.431 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000647964069 390231322 /nfs/dbraw/zinc/23/13/22/390231322.db2.gz PWKJXZNCVPBQFF-UONOGXRCSA-N 2 2 283.416 0.431 20 0 CCADLP Cn1c(Cl)cnc1C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000281752334 195364950 /nfs/dbraw/zinc/36/49/50/195364950.db2.gz RCCZCFIMPOEVBA-SNVBAGLBSA-N 2 2 299.806 0.503 20 0 CCADLP Cn1c(Cl)cnc1C[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000281752334 195364951 /nfs/dbraw/zinc/36/49/51/195364951.db2.gz RCCZCFIMPOEVBA-SNVBAGLBSA-N 2 2 299.806 0.503 20 0 CCADLP CNC(=O)CC1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000647965859 390231934 /nfs/dbraw/zinc/23/19/34/390231934.db2.gz QNNSZDCZHIKQBL-CQSZACIVSA-N 2 2 285.432 0.536 20 0 CCADLP CNC(=O)CC1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000647965859 390231939 /nfs/dbraw/zinc/23/19/39/390231939.db2.gz QNNSZDCZHIKQBL-CQSZACIVSA-N 2 2 285.432 0.536 20 0 CCADLP CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C[C@@H](C)[NH3+])C1 ZINC000647997630 390244623 /nfs/dbraw/zinc/24/46/23/390244623.db2.gz SZHNDYZSYCXIMM-VXNVDRBHSA-N 2 2 253.268 0.334 20 0 CCADLP CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](C[C@@H](C)[NH3+])C1 ZINC000647997630 390244630 /nfs/dbraw/zinc/24/46/30/390244630.db2.gz SZHNDYZSYCXIMM-VXNVDRBHSA-N 2 2 253.268 0.334 20 0 CCADLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000644569511 390255530 /nfs/dbraw/zinc/25/55/30/390255530.db2.gz UDNBZTDKKNKOIA-HOTGVXAUSA-N 3 2 298.475 0.059 20 0 CCADLP CC[C@@H](CN1CCCC1)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000644569511 390255533 /nfs/dbraw/zinc/25/55/33/390255533.db2.gz UDNBZTDKKNKOIA-HOTGVXAUSA-N 2 2 298.475 0.059 20 0 CCADLP C[C@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)CC[C@H]1[NH3+] ZINC000582181829 390267231 /nfs/dbraw/zinc/26/72/31/390267231.db2.gz SWKPDCGKQDLLCD-WDEREUQCSA-N 2 2 260.403 0.480 20 0 CCADLP C[C@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)CC[C@H]1[NH3+] ZINC000582181829 390267233 /nfs/dbraw/zinc/26/72/33/390267233.db2.gz SWKPDCGKQDLLCD-WDEREUQCSA-N 2 2 260.403 0.480 20 0 CCADLP CO[C@H]1CC[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000496134065 390306502 /nfs/dbraw/zinc/30/65/02/390306502.db2.gz QHSLJDCJERCTMH-DZGCQCFKSA-N 2 2 295.383 0.581 20 0 CCADLP CO[C@H]1CC[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000496134065 390306511 /nfs/dbraw/zinc/30/65/11/390306511.db2.gz QHSLJDCJERCTMH-DZGCQCFKSA-N 2 2 295.383 0.581 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1cccs1 ZINC000583811323 390314129 /nfs/dbraw/zinc/31/41/29/390314129.db2.gz QIPZDDWJRWCMOO-WDEREUQCSA-N 2 2 267.398 0.953 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1cccs1 ZINC000583811323 390314130 /nfs/dbraw/zinc/31/41/30/390314130.db2.gz QIPZDDWJRWCMOO-WDEREUQCSA-N 2 2 267.398 0.953 20 0 CCADLP C[N@@H+]1C[C@@H]2CCCN(c3nc[nH+]c4c3OCCN4)[C@@H]2C1 ZINC000644881322 390337357 /nfs/dbraw/zinc/33/73/57/390337357.db2.gz DXYVKSJRFVYDEE-WDEREUQCSA-N 2 2 275.356 0.811 20 0 CCADLP C[N@H+]1C[C@@H]2CCCN(c3nc[nH+]c4c3OCCN4)[C@@H]2C1 ZINC000644881322 390337362 /nfs/dbraw/zinc/33/73/62/390337362.db2.gz DXYVKSJRFVYDEE-WDEREUQCSA-N 2 2 275.356 0.811 20 0 CCADLP CN(C)c1[nH+]cc(C[NH+]2CC([C@@H]3CCOC3)C2)n1C ZINC000644903415 390342654 /nfs/dbraw/zinc/34/26/54/390342654.db2.gz JKPONZFRXIPTIT-LLVKDONJSA-N 2 2 264.373 0.954 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1nnnn1CC1CC1 ZINC000546024165 390343381 /nfs/dbraw/zinc/34/33/81/390343381.db2.gz NEDNXEMJYLVTTK-NQBHXWOUSA-N 2 2 278.404 0.901 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1nnnn1CC1CC1 ZINC000546024165 390343384 /nfs/dbraw/zinc/34/33/84/390343384.db2.gz NEDNXEMJYLVTTK-NQBHXWOUSA-N 2 2 278.404 0.901 20 0 CCADLP C[C@@H](O)CNc1cc(N2CC[N@H+](C)C[C@@H]2C)nc[nH+]1 ZINC000584516497 390351336 /nfs/dbraw/zinc/35/13/36/390351336.db2.gz RJWAUZKKWGQVCZ-WDEREUQCSA-N 2 2 265.361 0.410 20 0 CCADLP C[C@@H](O)CNc1cc(N2CC[N@@H+](C)C[C@@H]2C)nc[nH+]1 ZINC000584516497 390351339 /nfs/dbraw/zinc/35/13/39/390351339.db2.gz RJWAUZKKWGQVCZ-WDEREUQCSA-N 2 2 265.361 0.410 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000584537921 390354098 /nfs/dbraw/zinc/35/40/98/390354098.db2.gz AOIKEHALLNUPAR-CABCVRRESA-N 2 2 296.415 0.377 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000584537921 390354101 /nfs/dbraw/zinc/35/41/01/390354101.db2.gz AOIKEHALLNUPAR-CABCVRRESA-N 2 2 296.415 0.377 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000584537921 390354103 /nfs/dbraw/zinc/35/41/03/390354103.db2.gz AOIKEHALLNUPAR-CABCVRRESA-N 2 2 296.415 0.377 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000584537921 390354105 /nfs/dbraw/zinc/35/41/05/390354105.db2.gz AOIKEHALLNUPAR-CABCVRRESA-N 2 2 296.415 0.377 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCOC[C@H]2C)CC[N@@H+]1C ZINC000648769278 390405120 /nfs/dbraw/zinc/40/51/20/390405120.db2.gz PDYULNWBEKPDJD-JHJVBQTASA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCOC[C@H]2C)CC[N@H+]1C ZINC000648769278 390405126 /nfs/dbraw/zinc/40/51/26/390405126.db2.gz PDYULNWBEKPDJD-JHJVBQTASA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC[NH+]1C ZINC000648769278 390405129 /nfs/dbraw/zinc/40/51/29/390405129.db2.gz PDYULNWBEKPDJD-JHJVBQTASA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[N@H+]2CCOC[C@H]2C)CC[NH+]1C ZINC000648769278 390405132 /nfs/dbraw/zinc/40/51/32/390405132.db2.gz PDYULNWBEKPDJD-JHJVBQTASA-N 2 2 269.389 0.164 20 0 CCADLP CCN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000548018967 390414279 /nfs/dbraw/zinc/41/42/79/390414279.db2.gz YTFAKODOFOCWQK-CHWSQXEVSA-N 2 2 291.399 0.709 20 0 CCADLP CCN1CCN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000548018967 390414282 /nfs/dbraw/zinc/41/42/82/390414282.db2.gz YTFAKODOFOCWQK-CHWSQXEVSA-N 2 2 291.399 0.709 20 0 CCADLP O=C(NCC[NH+]1CCC1)c1cc(C[NH+]2CCCC2)on1 ZINC000643234975 390423456 /nfs/dbraw/zinc/42/34/56/390423456.db2.gz KAEZWZDHWMCWSM-UHFFFAOYSA-N 2 2 278.356 0.706 20 0 CCADLP O[C@@H]1COC[C@H]1[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000643377744 390436892 /nfs/dbraw/zinc/43/68/92/390436892.db2.gz YVNKYNLPEPOFPR-NILFDRSVSA-N 2 2 277.368 0.768 20 0 CCADLP O[C@@H]1COC[C@H]1[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000643377744 390436897 /nfs/dbraw/zinc/43/68/97/390436897.db2.gz YVNKYNLPEPOFPR-NILFDRSVSA-N 2 2 277.368 0.768 20 0 CCADLP CN1C[C@@H](C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)OC1=O ZINC000496878298 390378977 /nfs/dbraw/zinc/37/89/77/390378977.db2.gz YZHFABZQDADCAL-OLZOCXBDSA-N 2 2 277.324 0.985 20 0 CCADLP CN1C[C@@H](C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)OC1=O ZINC000496878298 390378979 /nfs/dbraw/zinc/37/89/79/390378979.db2.gz YZHFABZQDADCAL-OLZOCXBDSA-N 2 2 277.324 0.985 20 0 CCADLP CN(CC[N@H+](C)C1CC1)C(=O)NCc1[nH+]ccn1C ZINC000547773717 390398116 /nfs/dbraw/zinc/39/81/16/390398116.db2.gz VINRSYXKUBDFPK-UHFFFAOYSA-N 2 2 265.361 0.656 20 0 CCADLP CN(CC[N@@H+](C)C1CC1)C(=O)NCc1[nH+]ccn1C ZINC000547773717 390398117 /nfs/dbraw/zinc/39/81/17/390398117.db2.gz VINRSYXKUBDFPK-UHFFFAOYSA-N 2 2 265.361 0.656 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000565421406 390512911 /nfs/dbraw/zinc/51/29/11/390512911.db2.gz XHARDRBDPOULMO-SRVKXCTJSA-N 2 2 272.393 0.132 20 0 CCADLP C[C@@H](N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000643452310 390448195 /nfs/dbraw/zinc/44/81/95/390448195.db2.gz FMIHMPGWWGHREN-FMKPAKJESA-N 3 2 280.460 0.885 20 0 CCADLP C[C@@H](N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000643452310 390448196 /nfs/dbraw/zinc/44/81/96/390448196.db2.gz FMIHMPGWWGHREN-FMKPAKJESA-N 3 2 280.460 0.885 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000643452310 390448198 /nfs/dbraw/zinc/44/81/98/390448198.db2.gz FMIHMPGWWGHREN-FMKPAKJESA-N 3 2 280.460 0.885 20 0 CCADLP CNC(=O)CCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000555880682 390468511 /nfs/dbraw/zinc/46/85/11/390468511.db2.gz ULTWLMWVBFWTHF-CYBMUJFWSA-N 2 2 269.389 0.167 20 0 CCADLP CNC(=O)CCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000555880682 390468513 /nfs/dbraw/zinc/46/85/13/390468513.db2.gz ULTWLMWVBFWTHF-CYBMUJFWSA-N 2 2 269.389 0.167 20 0 CCADLP Cc1nc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])sc1C ZINC000516423740 390481306 /nfs/dbraw/zinc/48/13/06/390481306.db2.gz ZOLVZENBXYMFQT-SNVBAGLBSA-N 2 2 283.401 0.867 20 0 CCADLP Cc1nc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])sc1C ZINC000516423740 390481308 /nfs/dbraw/zinc/48/13/08/390481308.db2.gz ZOLVZENBXYMFQT-SNVBAGLBSA-N 2 2 283.401 0.867 20 0 CCADLP Cc1[nH+]c2n(c1C)CCN(C(=O)[C@H]([NH3+])C1CCC1)C2 ZINC000646044016 390583243 /nfs/dbraw/zinc/58/32/43/390583243.db2.gz BYQTUZAWPVDBSR-CYBMUJFWSA-N 2 2 262.357 0.970 20 0 CCADLP CCC[C@@]1(CO)CCC[N@@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000520604359 390584853 /nfs/dbraw/zinc/58/48/53/390584853.db2.gz QISOLMOQILBOEJ-GJZGRUSLSA-N 2 2 288.432 0.553 20 0 CCADLP CCC[C@@]1(CO)CCC[N@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000520604359 390584856 /nfs/dbraw/zinc/58/48/56/390584856.db2.gz QISOLMOQILBOEJ-GJZGRUSLSA-N 2 2 288.432 0.553 20 0 CCADLP CCC[C@@]1(CO)CCC[NH+]1C[C@@H](O)C[N@H+](C)CCOC ZINC000520604359 390584857 /nfs/dbraw/zinc/58/48/57/390584857.db2.gz QISOLMOQILBOEJ-GJZGRUSLSA-N 2 2 288.432 0.553 20 0 CCADLP CCC[C@@]1(CO)CCC[NH+]1C[C@@H](O)C[N@@H+](C)CCOC ZINC000520604359 390584860 /nfs/dbraw/zinc/58/48/60/390584860.db2.gz QISOLMOQILBOEJ-GJZGRUSLSA-N 2 2 288.432 0.553 20 0 CCADLP O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@H]1CCc2c[nH+]cn2C1 ZINC000649220430 390527750 /nfs/dbraw/zinc/52/77/50/390527750.db2.gz YNWMQSXVOCCMOR-NWDGAFQWSA-N 2 2 285.351 0.773 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000645932721 390534865 /nfs/dbraw/zinc/53/48/65/390534865.db2.gz BZABALNGQZCYBK-AEGPPILISA-N 2 2 295.427 0.459 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000645932721 390534868 /nfs/dbraw/zinc/53/48/68/390534868.db2.gz BZABALNGQZCYBK-AEGPPILISA-N 2 2 295.427 0.459 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[NH+]1CCOCC1 ZINC000649284986 390550210 /nfs/dbraw/zinc/55/02/10/390550210.db2.gz QKAVPRNVRTYFSU-MQYQWHSLSA-N 2 2 281.400 0.210 20 0 CCADLP CC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000649287186 390552220 /nfs/dbraw/zinc/55/22/20/390552220.db2.gz LZPNEMQNVRBPPR-OLZOCXBDSA-N 2 2 251.330 0.860 20 0 CCADLP CC(=O)[C@@](C)(O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000649287186 390552221 /nfs/dbraw/zinc/55/22/21/390552221.db2.gz LZPNEMQNVRBPPR-OLZOCXBDSA-N 2 2 251.330 0.860 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645977536 390556157 /nfs/dbraw/zinc/55/61/57/390556157.db2.gz FXTMZAAIRFMJBT-GXTWGEPZSA-N 3 2 282.432 0.254 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645977536 390556162 /nfs/dbraw/zinc/55/61/62/390556162.db2.gz FXTMZAAIRFMJBT-GXTWGEPZSA-N 3 2 282.432 0.254 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000645977709 390556332 /nfs/dbraw/zinc/55/63/32/390556332.db2.gz JIYJUJKYMABQMD-GXTWGEPZSA-N 3 2 280.416 0.023 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000645977709 390556334 /nfs/dbraw/zinc/55/63/34/390556334.db2.gz JIYJUJKYMABQMD-GXTWGEPZSA-N 3 2 280.416 0.023 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1C[NH2+]CCC1(F)F)Cn1cc[nH+]c1 ZINC000649302363 390560947 /nfs/dbraw/zinc/56/09/47/390560947.db2.gz IMKVXUOPYUOQOU-QWRGUYRKSA-N 2 2 286.326 0.880 20 0 CCADLP [NH3+][C@H]1C[C@@H](C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000649306454 390566367 /nfs/dbraw/zinc/56/63/67/390566367.db2.gz RRRLFHSMYLTSIT-OKILXGFUSA-N 2 2 259.353 0.856 20 0 CCADLP CC(C)N1C[C@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1=O ZINC000520394085 390570203 /nfs/dbraw/zinc/57/02/03/390570203.db2.gz FOMBSDYXLIMQLO-VNHYZAJKSA-N 2 2 281.400 0.352 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000649312396 390570941 /nfs/dbraw/zinc/57/09/41/390570941.db2.gz MEMIPOATRWTGIO-FFHGMXDLSA-N 2 2 295.427 0.744 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000649312396 390570945 /nfs/dbraw/zinc/57/09/45/390570945.db2.gz MEMIPOATRWTGIO-FFHGMXDLSA-N 2 2 295.427 0.744 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000520424744 390574294 /nfs/dbraw/zinc/57/42/94/390574294.db2.gz BWBQTUPIIKCEMI-DCAQKATOSA-N 2 2 284.322 0.544 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000520424744 390574298 /nfs/dbraw/zinc/57/42/98/390574298.db2.gz BWBQTUPIIKCEMI-DCAQKATOSA-N 2 2 284.322 0.544 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000520424744 390574303 /nfs/dbraw/zinc/57/43/03/390574303.db2.gz BWBQTUPIIKCEMI-DCAQKATOSA-N 2 2 284.322 0.544 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000520424744 390574308 /nfs/dbraw/zinc/57/43/08/390574308.db2.gz BWBQTUPIIKCEMI-DCAQKATOSA-N 2 2 284.322 0.544 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000649320562 390577352 /nfs/dbraw/zinc/57/73/52/390577352.db2.gz LRWSPNHFVUTQDO-QWHCGFSZSA-N 2 2 269.389 0.356 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000649320562 390577354 /nfs/dbraw/zinc/57/73/54/390577354.db2.gz LRWSPNHFVUTQDO-QWHCGFSZSA-N 2 2 269.389 0.356 20 0 CCADLP Cc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cn1 ZINC000566491787 390622419 /nfs/dbraw/zinc/62/24/19/390622419.db2.gz YZSXEFHBQTUUCB-QWHCGFSZSA-N 2 2 260.341 0.134 20 0 CCADLP Cc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cn1 ZINC000566491787 390622424 /nfs/dbraw/zinc/62/24/24/390622424.db2.gz YZSXEFHBQTUUCB-QWHCGFSZSA-N 2 2 260.341 0.134 20 0 CCADLP CCOC(=O)[C@](C)(O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000566540850 390627136 /nfs/dbraw/zinc/62/71/36/390627136.db2.gz LOGVZDOPHRFEHL-BXUZGUMPSA-N 2 2 281.356 0.524 20 0 CCADLP CCOC(=O)[C@](C)(O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000566540850 390627138 /nfs/dbraw/zinc/62/71/38/390627138.db2.gz LOGVZDOPHRFEHL-BXUZGUMPSA-N 2 2 281.356 0.524 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCC(C)(C)CO)C[C@@H](C)O1 ZINC000566561064 390629075 /nfs/dbraw/zinc/62/90/75/390629075.db2.gz DGDMDDFNENRPNQ-MGPQQGTHSA-N 2 2 288.432 0.455 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)CCC2CC[NH2+]CC2)CCO1 ZINC000566681320 390639196 /nfs/dbraw/zinc/63/91/96/390639196.db2.gz RCFOVPDZXRDTCU-ZDUSSCGKSA-N 2 2 283.416 0.603 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)CCC2CC[NH2+]CC2)CCO1 ZINC000566681320 390639197 /nfs/dbraw/zinc/63/91/97/390639197.db2.gz RCFOVPDZXRDTCU-ZDUSSCGKSA-N 2 2 283.416 0.603 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000566792204 390647667 /nfs/dbraw/zinc/64/76/67/390647667.db2.gz NLWZBEARYDRHBO-PWNZVWSESA-N 2 2 286.416 0.614 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000566792204 390647670 /nfs/dbraw/zinc/64/76/70/390647670.db2.gz NLWZBEARYDRHBO-PWNZVWSESA-N 2 2 286.416 0.614 20 0 CCADLP CC(C)([NH3+])CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000646265136 390654147 /nfs/dbraw/zinc/65/41/47/390654147.db2.gz MUUVFJUFWNHTNT-NSHDSACASA-N 2 2 262.357 0.904 20 0 CCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000566874341 390656357 /nfs/dbraw/zinc/65/63/57/390656357.db2.gz PEGBCBFZLAZHSI-NWDGAFQWSA-N 2 2 264.373 0.904 20 0 CCADLP CC[N@H+]1C[C@@H](C)N(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000566874341 390656361 /nfs/dbraw/zinc/65/63/61/390656361.db2.gz PEGBCBFZLAZHSI-NWDGAFQWSA-N 2 2 264.373 0.904 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)n1C ZINC000521229043 390600075 /nfs/dbraw/zinc/60/00/75/390600075.db2.gz NHVQGJGUAFZCBQ-DGCLKSJQSA-N 2 2 291.399 0.729 20 0 CCADLP C[C@@H](C(=O)Nc1ccc(-c2nnc(C[NH3+])[nH]2)cc1)[NH+](C)C ZINC000649358875 390605383 /nfs/dbraw/zinc/60/53/83/390605383.db2.gz GNYBCEYIYHNKDK-VIFPVBQESA-N 2 2 288.355 0.819 20 0 CCADLP COCCOC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000649379855 390612512 /nfs/dbraw/zinc/61/25/12/390612512.db2.gz QWOSLEZZYIGZGR-KGLIPLIRSA-N 2 2 274.405 0.473 20 0 CCADLP COCCOC[C@@H](O)C[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000649379855 390612514 /nfs/dbraw/zinc/61/25/14/390612514.db2.gz QWOSLEZZYIGZGR-KGLIPLIRSA-N 2 2 274.405 0.473 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCc2ccccc2[C@H]1CO ZINC000567565620 390704114 /nfs/dbraw/zinc/70/41/14/390704114.db2.gz NVJPCIMPGXTMIF-GOEBONIOSA-N 2 2 278.396 0.891 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCc2ccccc2[C@H]1CO ZINC000567565620 390704117 /nfs/dbraw/zinc/70/41/17/390704117.db2.gz NVJPCIMPGXTMIF-GOEBONIOSA-N 2 2 278.396 0.891 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000567565620 390704119 /nfs/dbraw/zinc/70/41/19/390704119.db2.gz NVJPCIMPGXTMIF-GOEBONIOSA-N 2 2 278.396 0.891 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCc2ccccc2[C@H]1CO ZINC000567565620 390704122 /nfs/dbraw/zinc/70/41/22/390704122.db2.gz NVJPCIMPGXTMIF-GOEBONIOSA-N 2 2 278.396 0.891 20 0 CCADLP Cc1cccc(C)c1CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000570925141 390724319 /nfs/dbraw/zinc/72/43/19/390724319.db2.gz GLQICAZSXIOIEP-CQSZACIVSA-N 2 2 275.396 0.947 20 0 CCADLP Cc1cccc(C)c1CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000570925141 390724320 /nfs/dbraw/zinc/72/43/20/390724320.db2.gz GLQICAZSXIOIEP-CQSZACIVSA-N 2 2 275.396 0.947 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C1CCOCC1 ZINC000646833215 390725893 /nfs/dbraw/zinc/72/58/93/390725893.db2.gz QIHSPKPBQKWICO-WCQYABFASA-N 2 2 269.389 0.150 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C1CCOCC1 ZINC000646833215 390725895 /nfs/dbraw/zinc/72/58/95/390725895.db2.gz QIHSPKPBQKWICO-WCQYABFASA-N 2 2 269.389 0.150 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000566998865 390665116 /nfs/dbraw/zinc/66/51/16/390665116.db2.gz WQCLQWHSLWXHLB-KBPBESRZSA-N 2 2 281.400 0.261 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000566998865 390665119 /nfs/dbraw/zinc/66/51/19/390665119.db2.gz WQCLQWHSLWXHLB-KBPBESRZSA-N 2 2 281.400 0.261 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](n2cccn2)C1 ZINC000567246739 390683315 /nfs/dbraw/zinc/68/33/15/390683315.db2.gz TYALDYPPXBYMOC-KBPBESRZSA-N 2 2 282.388 0.069 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](n2cccn2)C1 ZINC000567246739 390683317 /nfs/dbraw/zinc/68/33/17/390683317.db2.gz TYALDYPPXBYMOC-KBPBESRZSA-N 2 2 282.388 0.069 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000567246739 390683319 /nfs/dbraw/zinc/68/33/19/390683319.db2.gz TYALDYPPXBYMOC-KBPBESRZSA-N 2 2 282.388 0.069 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[NH+]2C2CC2)CCO1 ZINC000571354033 390732058 /nfs/dbraw/zinc/73/20/58/390732058.db2.gz GCLCGSCKXLENOE-JSGCOSHPSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[NH+]2C2CC2)CCO1 ZINC000571354033 390732060 /nfs/dbraw/zinc/73/20/60/390732060.db2.gz GCLCGSCKXLENOE-JSGCOSHPSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)CCO1 ZINC000571354033 390732063 /nfs/dbraw/zinc/73/20/63/390732063.db2.gz GCLCGSCKXLENOE-JSGCOSHPSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@H+]2C2CC2)CCO1 ZINC000571354033 390732066 /nfs/dbraw/zinc/73/20/66/390732066.db2.gz GCLCGSCKXLENOE-JSGCOSHPSA-N 2 2 281.400 0.450 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)n1C ZINC000567488120 390701349 /nfs/dbraw/zinc/70/13/49/390701349.db2.gz GYVQCTPBLMEFTH-NFAWXSAZSA-N 2 2 292.383 0.644 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C[C@H]1CCOC1)C1CC1 ZINC000572199845 390772564 /nfs/dbraw/zinc/77/25/64/390772564.db2.gz YFVNKMKBJDEXKD-HIFRSBDPSA-N 2 2 286.416 0.426 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C[C@H]1CCOC1)C1CC1 ZINC000572199845 390772565 /nfs/dbraw/zinc/77/25/65/390772565.db2.gz YFVNKMKBJDEXKD-HIFRSBDPSA-N 2 2 286.416 0.426 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000572199845 390772566 /nfs/dbraw/zinc/77/25/66/390772566.db2.gz YFVNKMKBJDEXKD-HIFRSBDPSA-N 2 2 286.416 0.426 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000572199845 390772567 /nfs/dbraw/zinc/77/25/67/390772567.db2.gz YFVNKMKBJDEXKD-HIFRSBDPSA-N 2 2 286.416 0.426 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000647098151 390774965 /nfs/dbraw/zinc/77/49/65/390774965.db2.gz HEYRGGVGEPBIAZ-ZDUSSCGKSA-N 2 2 290.367 0.665 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528781256 390777778 /nfs/dbraw/zinc/77/77/78/390777778.db2.gz BBKGCMNRZUBENL-CVXDAYKESA-N 2 2 274.430 0.284 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528781256 390777780 /nfs/dbraw/zinc/77/77/80/390777780.db2.gz BBKGCMNRZUBENL-CVXDAYKESA-N 2 2 274.430 0.284 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528781256 390777782 /nfs/dbraw/zinc/77/77/82/390777782.db2.gz BBKGCMNRZUBENL-CVXDAYKESA-N 2 2 274.430 0.284 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528781256 390777784 /nfs/dbraw/zinc/77/77/84/390777784.db2.gz BBKGCMNRZUBENL-CVXDAYKESA-N 2 2 274.430 0.284 20 0 CCADLP C[NH+](C)CCCCC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000572343680 390778750 /nfs/dbraw/zinc/77/87/50/390778750.db2.gz HMEJQTUTFMEIEB-UHFFFAOYSA-N 2 2 283.416 0.699 20 0 CCADLP COc1ncncc1C[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000647185236 390784435 /nfs/dbraw/zinc/78/44/35/390784435.db2.gz VHWZAMIMBWMAHS-GFCCVEGCSA-N 2 2 280.372 0.543 20 0 CCADLP Cc1cc(NC(=O)CN2CC[NH+](C)CC2)cn2cc[nH+]c12 ZINC000647220309 390792066 /nfs/dbraw/zinc/79/20/66/390792066.db2.gz LKHGFUKPQSWSFB-UHFFFAOYSA-N 2 2 287.367 0.829 20 0 CCADLP Cc1[nH]c(CNc2ccn(CC[NH+](C)C)n2)[nH+]c1C ZINC000571418697 390734919 /nfs/dbraw/zinc/73/49/19/390734919.db2.gz MNWHYIRWPYWREG-UHFFFAOYSA-N 2 2 262.361 0.819 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000528433004 390744294 /nfs/dbraw/zinc/74/42/94/390744294.db2.gz JYNLATAOXBCHLC-STQMWFEESA-N 2 2 280.372 0.417 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCC2(C)CC2)[C@H](C[NH3+])C1 ZINC000571626036 390744638 /nfs/dbraw/zinc/74/46/38/390744638.db2.gz NKRVQISAHWSTAC-LLVKDONJSA-N 2 2 254.378 0.461 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCC2(C)CC2)[C@H](C[NH3+])C1 ZINC000571626036 390744640 /nfs/dbraw/zinc/74/46/40/390744640.db2.gz NKRVQISAHWSTAC-LLVKDONJSA-N 2 2 254.378 0.461 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCC2(C)CC2)[C@@H](C[NH3+])C1 ZINC000571626037 390744686 /nfs/dbraw/zinc/74/46/86/390744686.db2.gz NKRVQISAHWSTAC-NSHDSACASA-N 2 2 254.378 0.461 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCC2(C)CC2)[C@@H](C[NH3+])C1 ZINC000571626037 390744688 /nfs/dbraw/zinc/74/46/88/390744688.db2.gz NKRVQISAHWSTAC-NSHDSACASA-N 2 2 254.378 0.461 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000529331316 390810470 /nfs/dbraw/zinc/81/04/70/390810470.db2.gz PXJPUQHPEMFNCY-MNOVXSKESA-N 2 2 281.360 0.252 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCO[C@@H]1c1cnn(C)c1C ZINC000572982601 390816664 /nfs/dbraw/zinc/81/66/64/390816664.db2.gz YLWVLLPABKFTIC-VHDGCEQUSA-N 2 2 296.415 0.461 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCO[C@@H]1c1cnn(C)c1C ZINC000572982601 390816667 /nfs/dbraw/zinc/81/66/67/390816667.db2.gz YLWVLLPABKFTIC-VHDGCEQUSA-N 2 2 296.415 0.461 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccsc2)[C@@H](C[NH3+])C1 ZINC000529384771 390826002 /nfs/dbraw/zinc/82/60/02/390826002.db2.gz ZYJOICJPAXATHA-RWMBFGLXSA-N 2 2 294.424 0.888 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccsc2)[C@@H](C[NH3+])C1 ZINC000529384771 390826005 /nfs/dbraw/zinc/82/60/05/390826005.db2.gz ZYJOICJPAXATHA-RWMBFGLXSA-N 2 2 294.424 0.888 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)Cn1c[nH+]cc1C ZINC000529441397 390832263 /nfs/dbraw/zinc/83/22/63/390832263.db2.gz ZPJFEHZCSAAZJZ-LBPRGKRZSA-N 2 2 250.346 0.744 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000529499032 390838842 /nfs/dbraw/zinc/83/88/42/390838842.db2.gz UUNLMOBYNQDQAD-QWHCGFSZSA-N 2 2 280.372 0.105 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000529499032 390838845 /nfs/dbraw/zinc/83/88/45/390838845.db2.gz UUNLMOBYNQDQAD-QWHCGFSZSA-N 2 2 280.372 0.105 20 0 CCADLP C/C(Cl)=C/C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000528350158 285397208 /nfs/dbraw/zinc/39/72/08/285397208.db2.gz LACAGORIDWGTCY-WCIBSUBMSA-N 2 2 259.781 0.835 20 0 CCADLP C[C@@H](NC(=O)c1ccnc(C[NH3+])c1)[C@H](C)[NH+]1CCOCC1 ZINC000361623452 533307317 /nfs/dbraw/zinc/30/73/17/533307317.db2.gz VCENYLJMYKMWGF-NEPJUHHUSA-N 2 2 292.383 0.379 20 0 CCADLP C[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)C1CC1 ZINC000361484982 533378059 /nfs/dbraw/zinc/37/80/59/533378059.db2.gz LNJOYXCSCFVRNL-CQSZACIVSA-N 2 2 269.433 0.765 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](C)[NH2+]C2CC2)C[C@H]1C ZINC000423894708 533422894 /nfs/dbraw/zinc/42/28/94/533422894.db2.gz MEPVJDOAVIRJOI-NEPJUHHUSA-N 2 2 297.399 0.223 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H](C)[NH2+]C2CC2)C[C@H]1C ZINC000423894708 533422898 /nfs/dbraw/zinc/42/28/98/533422898.db2.gz MEPVJDOAVIRJOI-NEPJUHHUSA-N 2 2 297.399 0.223 20 0 CCADLP COC(=O)COC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000449129815 533547833 /nfs/dbraw/zinc/54/78/33/533547833.db2.gz DPQHJQSORWERHV-MNOVXSKESA-N 2 2 256.346 0.391 20 0 CCADLP COC(=O)COC[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000449129815 533547837 /nfs/dbraw/zinc/54/78/37/533547837.db2.gz DPQHJQSORWERHV-MNOVXSKESA-N 2 2 256.346 0.391 20 0 CCADLP C[C@H]1CCN(C(=O)NCCn2cc[nH+]c2)C[C@@H]1C[NH3+] ZINC000416842778 533609588 /nfs/dbraw/zinc/60/95/88/533609588.db2.gz JXXXJBFCTKNYDO-RYUDHWBXSA-N 2 2 265.361 0.509 20 0 CCADLP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492773753 533644986 /nfs/dbraw/zinc/64/49/86/533644986.db2.gz VQOWACSSFHDNQG-VSQXVHSFSA-N 2 2 292.383 0.727 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492773753 533644989 /nfs/dbraw/zinc/64/49/89/533644989.db2.gz VQOWACSSFHDNQG-VSQXVHSFSA-N 2 2 292.383 0.727 20 0 CCADLP COCC[N@H+](C)CCNC(=O)N(C)Cc1[nH+]ccn1C ZINC000341803446 130067804 /nfs/dbraw/zinc/06/78/04/130067804.db2.gz WAHCLUUWRKGBTD-UHFFFAOYSA-N 2 2 283.376 0.140 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)N(C)Cc1[nH+]ccn1C ZINC000341803446 130067807 /nfs/dbraw/zinc/06/78/07/130067807.db2.gz WAHCLUUWRKGBTD-UHFFFAOYSA-N 2 2 283.376 0.140 20 0 CCADLP O=C(C1C[NH2+]C1)N(CC[NH+]1CCOCC1)c1ccccc1 ZINC000342139989 130298532 /nfs/dbraw/zinc/29/85/32/130298532.db2.gz DNTRYTCMVYCHEI-UHFFFAOYSA-N 2 2 289.379 0.571 20 0 CCADLP CC(C)n1cc(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)nn1 ZINC000342169084 130359345 /nfs/dbraw/zinc/35/93/45/130359345.db2.gz GBPUENZDJBLSSU-ZDUSSCGKSA-N 2 2 280.420 0.585 20 0 CCADLP C[C@H]1[C@H](NC(=O)NCCn2cc[nH+]c2)CCC[N@H+]1C ZINC000342210923 130387274 /nfs/dbraw/zinc/38/72/74/130387274.db2.gz YPSMVDCUQXMIDZ-NWDGAFQWSA-N 2 2 265.361 0.665 20 0 CCADLP C[C@H](CNC(=O)[C@@H]([NH3+])Cc1ccccc1)[NH+]1CCOCC1 ZINC000237428936 131030332 /nfs/dbraw/zinc/03/03/32/131030332.db2.gz RGGLFWGOSDVTPU-HIFRSBDPSA-N 2 2 291.395 0.393 20 0 CCADLP Cc1cccc([C@H](CNC(=O)[C@@H](C)[NH3+])[NH+]2CCOCC2)c1 ZINC000237464601 131033058 /nfs/dbraw/zinc/03/30/58/131033058.db2.gz CYDVNBQTLPDOLC-HIFRSBDPSA-N 2 2 291.395 0.832 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C[NH3+] ZINC000237504049 131037544 /nfs/dbraw/zinc/03/75/44/131037544.db2.gz QCWVVZKTHRMBIU-AWEZNQCLSA-N 2 2 291.395 0.695 20 0 CCADLP [NH3+]C[C@@H](NC(=O)Cc1cn2ccccc2[nH+]1)C1CC1 ZINC000238070589 131075067 /nfs/dbraw/zinc/07/50/67/131075067.db2.gz DFFYEZFYALYIDX-GFCCVEGCSA-N 2 2 258.325 0.730 20 0 CCADLP O=C(NCC[NH+]1CCOCC1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000250881369 131127509 /nfs/dbraw/zinc/12/75/09/131127509.db2.gz VLXSOGYXOOCDRE-MCIONIFRSA-N 2 2 281.400 0.356 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]1C[NH3+] ZINC000253200620 131141298 /nfs/dbraw/zinc/14/12/98/131141298.db2.gz XHBSOVNKGKNJMJ-GHMZBOCLSA-N 2 2 284.404 0.527 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]1C[NH3+] ZINC000253200620 131141300 /nfs/dbraw/zinc/14/13/00/131141300.db2.gz XHBSOVNKGKNJMJ-GHMZBOCLSA-N 2 2 284.404 0.527 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000262675525 131249725 /nfs/dbraw/zinc/24/97/25/131249725.db2.gz UBBNKHBIPJKFGF-OAHLLOKOSA-N 2 2 291.395 0.785 20 0 CCADLP COCC[N@H+](C)CCNC(=O)NCCNc1cccc[nH+]1 ZINC000263727881 131317190 /nfs/dbraw/zinc/31/71/90/131317190.db2.gz GMXHEAQCOHGCKV-UHFFFAOYSA-N 2 2 295.387 0.371 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)NCCNc1cccc[nH+]1 ZINC000263727881 131317192 /nfs/dbraw/zinc/31/71/92/131317192.db2.gz GMXHEAQCOHGCKV-UHFFFAOYSA-N 2 2 295.387 0.371 20 0 CCADLP CCn1cc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cn1 ZINC000268920816 132089144 /nfs/dbraw/zinc/08/91/44/132089144.db2.gz OTUIXYBLSNDJGY-JSGCOSHPSA-N 2 2 293.415 0.893 20 0 CCADLP CCn1cc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cn1 ZINC000268920816 132089145 /nfs/dbraw/zinc/08/91/45/132089145.db2.gz OTUIXYBLSNDJGY-JSGCOSHPSA-N 2 2 293.415 0.893 20 0 CCADLP O=C(NCc1cn2ccccc2[nH+]1)[C@H]1CSC[NH2+]1 ZINC000269226924 132136323 /nfs/dbraw/zinc/13/63/23/132136323.db2.gz FPALRJZEELNXID-SNVBAGLBSA-N 2 2 262.338 0.613 20 0 CCADLP O=C(Nc1c[nH+]ccc1-n1cc[nH+]c1)[C@@H]1CC[NH2+]C1 ZINC000269239006 132139318 /nfs/dbraw/zinc/13/93/18/132139318.db2.gz ABSFVXZKOGTIHU-SNVBAGLBSA-N 3 2 257.297 0.815 20 0 CCADLP Cc1cn2cc(NC(=O)[C@H]3COCC[NH2+]3)ccc2[nH+]1 ZINC000269237812 132139474 /nfs/dbraw/zinc/13/94/74/132139474.db2.gz HUCXNPXIKYPVPX-LLVKDONJSA-N 2 2 260.297 0.570 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000269267403 132146880 /nfs/dbraw/zinc/14/68/80/132146880.db2.gz ZVVLEWHWEPSLOM-VXGBXAGGSA-N 2 2 266.345 0.156 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000269270734 132147604 /nfs/dbraw/zinc/14/76/04/132147604.db2.gz SDZTUINTFQIULY-LBPRGKRZSA-N 2 2 295.387 0.009 20 0 CCADLP CCCNC(=O)C1CC[NH+](C[C@@H](O)C[N@H+](C)CC)CC1 ZINC000575119809 335068748 /nfs/dbraw/zinc/06/87/48/335068748.db2.gz QHYGUBMHFSYLHK-AWEZNQCLSA-N 2 2 285.432 0.537 20 0 CCADLP CCCNC(=O)C1CC[NH+](C[C@@H](O)C[N@@H+](C)CC)CC1 ZINC000575119809 335068749 /nfs/dbraw/zinc/06/87/49/335068749.db2.gz QHYGUBMHFSYLHK-AWEZNQCLSA-N 2 2 285.432 0.537 20 0 CCADLP COC(C)(C)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000224075881 292044378 /nfs/dbraw/zinc/04/43/78/292044378.db2.gz RJUOWMQELMCNFH-UHFFFAOYSA-N 2 2 285.432 0.896 20 0 CCADLP COC(C)(C)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000224075881 292044380 /nfs/dbraw/zinc/04/43/80/292044380.db2.gz RJUOWMQELMCNFH-UHFFFAOYSA-N 2 2 285.432 0.896 20 0 CCADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1CCn1cc[nH+]c1 ZINC000189454070 397424576 /nfs/dbraw/zinc/42/45/76/397424576.db2.gz AGGKGEAPSHDUTB-CYBMUJFWSA-N 2 2 266.389 0.660 20 0 CCADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1CCn1cc[nH+]c1 ZINC000189454070 397424580 /nfs/dbraw/zinc/42/45/80/397424580.db2.gz AGGKGEAPSHDUTB-CYBMUJFWSA-N 2 2 266.389 0.660 20 0 CCADLP COc1coc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1=O ZINC000352488391 397465294 /nfs/dbraw/zinc/46/52/94/397465294.db2.gz PMGHWNMYABJCFC-GFCCVEGCSA-N 2 2 293.367 0.128 20 0 CCADLP CCc1nsc(N2CC[NH+](CCOCC[NH3+])CC2)n1 ZINC000357080363 144058054 /nfs/dbraw/zinc/05/80/54/144058054.db2.gz UCTYAHVYAULCFF-UHFFFAOYSA-N 2 2 285.417 0.198 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357085071 144058454 /nfs/dbraw/zinc/05/84/54/144058454.db2.gz QFJRZPHLACENMO-CABCVRRESA-N 2 2 297.443 0.707 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357085071 144058455 /nfs/dbraw/zinc/05/84/55/144058455.db2.gz QFJRZPHLACENMO-CABCVRRESA-N 2 2 297.443 0.707 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C)[C@H](C(C)C)C2)C1 ZINC000357235718 144071899 /nfs/dbraw/zinc/07/18/99/144071899.db2.gz BKABRBITVXJSOV-UONOGXRCSA-N 2 2 283.416 0.506 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](C)[C@H](C(C)C)C2)C1 ZINC000357235718 144071900 /nfs/dbraw/zinc/07/19/00/144071900.db2.gz BKABRBITVXJSOV-UONOGXRCSA-N 2 2 283.416 0.506 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)C1 ZINC000357235718 144071901 /nfs/dbraw/zinc/07/19/01/144071901.db2.gz BKABRBITVXJSOV-UONOGXRCSA-N 2 2 283.416 0.506 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)C1 ZINC000357235718 144071902 /nfs/dbraw/zinc/07/19/02/144071902.db2.gz BKABRBITVXJSOV-UONOGXRCSA-N 2 2 283.416 0.506 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000358530721 144159307 /nfs/dbraw/zinc/15/93/07/144159307.db2.gz SBNNVGMMDGSSMB-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CC[NH2+][C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000358697889 144173611 /nfs/dbraw/zinc/17/36/11/144173611.db2.gz UKKREGRNIXDQNK-MGPQQGTHSA-N 2 2 282.432 0.127 20 0 CCADLP CS[C@@H]1CN(CC[NH+]2CCOCC2)C[C@H]1[NH+]1CCCC1 ZINC000358828534 144182097 /nfs/dbraw/zinc/18/20/97/144182097.db2.gz QTDMFTKPHURFDN-HUUCEWRRSA-N 2 2 299.484 0.830 20 0 CCADLP CCCOCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369275943 144260818 /nfs/dbraw/zinc/26/08/18/144260818.db2.gz DSAWIUMVNVOVKF-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP CCCOCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369275943 144260820 /nfs/dbraw/zinc/26/08/20/144260820.db2.gz DSAWIUMVNVOVKF-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP CC(=O)CCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369505094 144271977 /nfs/dbraw/zinc/27/19/77/144271977.db2.gz WUJONTQNWTZAAF-CYBMUJFWSA-N 2 2 281.400 0.640 20 0 CCADLP CC(=O)CCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369505094 144271979 /nfs/dbraw/zinc/27/19/79/144271979.db2.gz WUJONTQNWTZAAF-CYBMUJFWSA-N 2 2 281.400 0.640 20 0 CCADLP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCS1(=O)=O ZINC000383982046 397494032 /nfs/dbraw/zinc/49/40/32/397494032.db2.gz KFMJLOTYHGGFCH-DDHJBXDOSA-N 2 2 260.403 0.634 20 0 CCADLP O[C@@H]1CCC[C@@H]1[NH+]1CCN(CCCn2cc[nH+]c2)CC1 ZINC000371470861 144332966 /nfs/dbraw/zinc/33/29/66/144332966.db2.gz PAKLMLJIJILNMA-LSDHHAIUSA-N 2 2 278.400 0.804 20 0 CCADLP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000372746588 144379450 /nfs/dbraw/zinc/37/94/50/144379450.db2.gz CLXIXSOBGAPHRD-STQMWFEESA-N 2 2 276.384 0.904 20 0 CCADLP CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000372746588 144379452 /nfs/dbraw/zinc/37/94/52/144379452.db2.gz CLXIXSOBGAPHRD-STQMWFEESA-N 2 2 276.384 0.904 20 0 CCADLP Cc1cncc(CC[NH2+][C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](O)C2)n1 ZINC000649634829 397651503 /nfs/dbraw/zinc/65/15/03/397651503.db2.gz WMLGNGLKWSFRDM-OAGGEKHMSA-N 2 2 290.411 0.905 20 0 CCADLP Cc1cncc(CC[NH2+][C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](O)C2)n1 ZINC000649634829 397651505 /nfs/dbraw/zinc/65/15/05/397651505.db2.gz WMLGNGLKWSFRDM-OAGGEKHMSA-N 2 2 290.411 0.905 20 0 CCADLP Cn1cc(CCC[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)cn1 ZINC000649687448 397655945 /nfs/dbraw/zinc/65/59/45/397655945.db2.gz RILWSTKMAWNYGI-UHFFFAOYSA-N 2 2 293.415 0.059 20 0 CCADLP Cn1cc(CCC[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)cn1 ZINC000649687448 397655946 /nfs/dbraw/zinc/65/59/46/397655946.db2.gz RILWSTKMAWNYGI-UHFFFAOYSA-N 2 2 293.415 0.059 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)CCC[NH3+])CC1 ZINC000649409958 397605965 /nfs/dbraw/zinc/60/59/65/397605965.db2.gz DILNQIYQTCWCGQ-UHFFFAOYSA-N 3 2 270.421 0.256 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)CCC[NH3+])CC1 ZINC000649409958 397605968 /nfs/dbraw/zinc/60/59/68/397605968.db2.gz DILNQIYQTCWCGQ-UHFFFAOYSA-N 3 2 270.421 0.256 20 0 CCADLP CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000649417915 397609396 /nfs/dbraw/zinc/60/93/96/397609396.db2.gz NXYJZWKWJCQSLU-KGLIPLIRSA-N 2 2 291.399 0.062 20 0 CCADLP CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000649417915 397609397 /nfs/dbraw/zinc/60/93/97/397609397.db2.gz NXYJZWKWJCQSLU-KGLIPLIRSA-N 2 2 291.399 0.062 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)N(C)Cc1cnn(C)c1 ZINC000649420203 397610161 /nfs/dbraw/zinc/61/01/61/397610161.db2.gz LVYSQUHVYUEFPP-TYNCELHUSA-N 2 2 293.415 0.355 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000649731687 397661486 /nfs/dbraw/zinc/66/14/86/397661486.db2.gz LHNRYBVQMCOPOB-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000649731687 397661489 /nfs/dbraw/zinc/66/14/89/397661489.db2.gz LHNRYBVQMCOPOB-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP C[NH+]1CCC(NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000651024840 397809672 /nfs/dbraw/zinc/80/96/72/397809672.db2.gz IVZCIRJAQIWNEV-UHFFFAOYSA-N 2 2 276.384 0.972 20 0 CCADLP CC(C)(O)C[NH+]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000684192496 545625485 /nfs/dbraw/zinc/62/54/85/545625485.db2.gz QECFBXAQQZEDBY-UHFFFAOYSA-N 2 2 294.399 0.602 20 0 CCADLP CCOCCNC(=O)C[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000440360756 286093872 /nfs/dbraw/zinc/09/38/72/286093872.db2.gz SFCQARRWBJBUBL-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP CCOCCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000440360756 286093875 /nfs/dbraw/zinc/09/38/75/286093875.db2.gz SFCQARRWBJBUBL-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP CCOCCNC(=O)C[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000440360756 286093877 /nfs/dbraw/zinc/09/38/77/286093877.db2.gz SFCQARRWBJBUBL-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP CCOCCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000440360756 286093881 /nfs/dbraw/zinc/09/38/81/286093881.db2.gz SFCQARRWBJBUBL-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP CCN1CC[NH+](CCCNC(=O)[C@H](C)[NH+]2CC(C)C2)CC1 ZINC000552981253 286177120 /nfs/dbraw/zinc/17/71/20/286177120.db2.gz IWELCVRHDNKAPN-HNNXBMFYSA-N 2 2 296.459 0.470 20 0 CCADLP C[C@@H]1C[NH+](CCCNC(=O)C[NH+]2CC(C)(C)C2)C[C@@H](C)O1 ZINC000553255404 286186862 /nfs/dbraw/zinc/18/68/62/286186862.db2.gz BOYRZJQPOCDSIO-ZIAGYGMSSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1(N2CCOCC2)CC1 ZINC000423075402 533676048 /nfs/dbraw/zinc/67/60/48/533676048.db2.gz OLLNNHPCLCBGAT-QWHCGFSZSA-N 2 2 253.390 0.439 20 0 CCADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)CC(N)=O)cc1 ZINC000423335241 286362970 /nfs/dbraw/zinc/36/29/70/286362970.db2.gz PUHUBFNHAUFUBD-UGFHNGPFSA-N 2 2 291.395 0.994 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCN1CC[C@H]2OCC[NH+](C)[C@@H]2C1 ZINC000342169329 297125831 /nfs/dbraw/zinc/12/58/31/297125831.db2.gz KTCNRXIYBYZKSC-RBSFLKMASA-N 2 2 283.416 0.112 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000342169329 297125833 /nfs/dbraw/zinc/12/58/33/297125833.db2.gz KTCNRXIYBYZKSC-RBSFLKMASA-N 2 2 283.416 0.112 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000342169329 297125834 /nfs/dbraw/zinc/12/58/34/297125834.db2.gz KTCNRXIYBYZKSC-RBSFLKMASA-N 2 2 283.416 0.112 20 0 CCADLP CC(C)OC[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000659320768 413408415 /nfs/dbraw/zinc/40/84/15/413408415.db2.gz KTCYYCWOHBVOQD-QWHCGFSZSA-N 2 2 271.405 0.537 20 0 CCADLP CC(C)OC[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000659320768 413408422 /nfs/dbraw/zinc/40/84/22/413408422.db2.gz KTCYYCWOHBVOQD-QWHCGFSZSA-N 2 2 271.405 0.537 20 0 CCADLP C[C@@]1(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CCC[NH2+]1 ZINC000659359252 413443044 /nfs/dbraw/zinc/44/30/44/413443044.db2.gz XLPGTOJQTVPSIB-JSGCOSHPSA-N 2 2 267.373 0.062 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659357654 413443838 /nfs/dbraw/zinc/44/38/38/413443838.db2.gz LPHWXYYAGNTRCJ-IHRRRGAJSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423394551 287036119 /nfs/dbraw/zinc/03/61/19/287036119.db2.gz QHOMDQGYBCCPEB-WOPDTQHZSA-N 3 2 294.365 0.553 20 0 CCADLP C[C@@H]([NH2+][C@H]1CC(=O)N([C@H]2C[C@H]2C)C1)[C@@H]1CCC[NH2+]1 ZINC000422918347 287065872 /nfs/dbraw/zinc/06/58/72/287065872.db2.gz HCTOJCCKQSKMFW-BNDIWNMDSA-N 2 2 251.374 0.726 20 0 CCADLP C[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)[C@H]1CCCC[NH2+]1 ZINC000422925275 287065963 /nfs/dbraw/zinc/06/59/63/287065963.db2.gz ZYHQPRLLJXHPKW-NTZNESFSSA-N 2 2 251.374 0.870 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@@H](C)[C@H](C)[NH3+])CCO1 ZINC000418730901 287195268 /nfs/dbraw/zinc/19/52/68/287195268.db2.gz SOORGCGZIXPPSC-SDDRHHMPSA-N 2 2 272.393 0.132 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@@H](C)[C@H](C)[NH3+])CCO1 ZINC000418730901 287195269 /nfs/dbraw/zinc/19/52/69/287195269.db2.gz SOORGCGZIXPPSC-SDDRHHMPSA-N 2 2 272.393 0.132 20 0 CCADLP C[C@H](C[NH2+][C@H](C)[C@H]1CCOC1)C[NH+]1CCOCC1 ZINC000247976598 298788916 /nfs/dbraw/zinc/78/89/16/298788916.db2.gz HWKYUVUBGJSEOV-MCIONIFRSA-N 2 2 256.390 0.969 20 0 CCADLP COCC[NH+]1CCN(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000042895285 411625587 /nfs/dbraw/zinc/62/55/87/411625587.db2.gz VXTXYWAIGFFAQN-UHFFFAOYSA-N 2 2 295.387 0.247 20 0 CCADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1nc(C2CC2)no1 ZINC000071150150 411693854 /nfs/dbraw/zinc/69/38/54/411693854.db2.gz MLYLFOFUGHKZFW-UHFFFAOYSA-N 2 2 265.361 0.284 20 0 CCADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1nc(C2CC2)no1 ZINC000071150150 411693857 /nfs/dbraw/zinc/69/38/57/411693857.db2.gz MLYLFOFUGHKZFW-UHFFFAOYSA-N 2 2 265.361 0.284 20 0 CCADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1nc(-c2ccco2)no1 ZINC000071150290 411695297 /nfs/dbraw/zinc/69/52/97/411695297.db2.gz GZKMRIVSJQECKS-UHFFFAOYSA-N 2 2 291.355 0.667 20 0 CCADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1nc(-c2ccco2)no1 ZINC000071150290 411695302 /nfs/dbraw/zinc/69/53/02/411695302.db2.gz GZKMRIVSJQECKS-UHFFFAOYSA-N 2 2 291.355 0.667 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CC[C@@]2(O)CCOC2)n1C ZINC000404194634 411792891 /nfs/dbraw/zinc/79/28/91/411792891.db2.gz MEDNATSRXVIQIZ-CYBMUJFWSA-N 2 2 268.361 0.117 20 0 CCADLP C[C@@H]1CCC[N@H+](Cc2nnnn2C2CC2)[C@H]1CC[NH3+] ZINC000404411505 411795015 /nfs/dbraw/zinc/79/50/15/411795015.db2.gz XUJIXNTXLIBENA-PWSUYJOCSA-N 2 2 264.377 0.957 20 0 CCADLP C[C@@H]1CCC[N@@H+](Cc2nnnn2C2CC2)[C@H]1CC[NH3+] ZINC000404411505 411795019 /nfs/dbraw/zinc/79/50/19/411795019.db2.gz XUJIXNTXLIBENA-PWSUYJOCSA-N 2 2 264.377 0.957 20 0 CCADLP O=C([C@H]1CC[C@H](C2CC2)[NH2+]1)N1CC[NH+](C2CC2)CC1 ZINC000407460575 411808817 /nfs/dbraw/zinc/80/88/17/411808817.db2.gz RMVAYEZTJVKHIW-ZIAGYGMSSA-N 2 2 263.385 0.824 20 0 CCADLP C[C@@H](CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)n1cc[nH+]c1 ZINC000651490390 411886235 /nfs/dbraw/zinc/88/62/35/411886235.db2.gz KGHOLPGSKKTJRA-UONOGXRCSA-N 2 2 292.383 0.767 20 0 CCADLP CCc1nc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc(C)[nH+]1 ZINC000651449682 411874111 /nfs/dbraw/zinc/87/41/11/411874111.db2.gz PKRXWVAANITRLR-GFCCVEGCSA-N 2 2 262.357 0.603 20 0 CCADLP CCc1nc(N2CC([N@H+]3CC[C@@H](O)C3)C2)cc(C)[nH+]1 ZINC000651449682 411874114 /nfs/dbraw/zinc/87/41/14/411874114.db2.gz PKRXWVAANITRLR-GFCCVEGCSA-N 2 2 262.357 0.603 20 0 CCADLP O[C@@H]1CC[N@@H+](C2CN(Cc3cccc4[nH+]ccn43)C2)C1 ZINC000651978194 411970652 /nfs/dbraw/zinc/97/06/52/411970652.db2.gz WXADTMHUCZOHGP-CQSZACIVSA-N 2 2 272.352 0.585 20 0 CCADLP O[C@@H]1CC[N@H+](C2CN(Cc3cccc4[nH+]ccn43)C2)C1 ZINC000651978194 411970655 /nfs/dbraw/zinc/97/06/55/411970655.db2.gz WXADTMHUCZOHGP-CQSZACIVSA-N 2 2 272.352 0.585 20 0 CCADLP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653043814 412198728 /nfs/dbraw/zinc/19/87/28/412198728.db2.gz CINRWGITSVWEEU-QWHCGFSZSA-N 3 2 294.399 0.090 20 0 CCADLP CC(C)N1C(=O)CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1(C)C ZINC000653092507 412215396 /nfs/dbraw/zinc/21/53/96/412215396.db2.gz BYFLFVNSUXELDM-GFCCVEGCSA-N 2 2 298.431 0.123 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000653065752 412207120 /nfs/dbraw/zinc/20/71/20/412207120.db2.gz RPIJHFMYOJDVKW-LBPRGKRZSA-N 2 2 290.367 0.789 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1ccc(CO)c(F)c1 ZINC000653077297 412209497 /nfs/dbraw/zinc/20/94/97/412209497.db2.gz XEBICIXQFZPLOW-ZDUSSCGKSA-N 2 2 283.347 0.213 20 0 CCADLP C[C@H](O)CN(Cc1ccccc1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653074015 412209827 /nfs/dbraw/zinc/20/98/27/412209827.db2.gz WJFAYUAUNZLUQT-ZFWWWQNUSA-N 2 2 293.411 0.675 20 0 CCADLP Cc1ccccc1OCCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653076565 412210194 /nfs/dbraw/zinc/21/01/94/412210194.db2.gz ZTMWNIQOERQXLS-CYBMUJFWSA-N 2 2 279.384 0.769 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H]1Cc2ccccc21 ZINC000653074488 412210618 /nfs/dbraw/zinc/21/06/18/412210618.db2.gz JJVOIVHHIVUARX-OCCSQVGLSA-N 2 2 261.369 0.722 20 0 CCADLP CN(CCC1CCOCC1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653095016 412215504 /nfs/dbraw/zinc/21/55/04/412215504.db2.gz XWPSTXYFKXGGFI-CYBMUJFWSA-N 2 2 271.405 0.541 20 0 CCADLP COc1ccc2c(c1)CCN2C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653082005 412212040 /nfs/dbraw/zinc/21/20/40/412212040.db2.gz GAPHUOFNZXDSAP-ZDUSSCGKSA-N 2 2 277.368 0.863 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000653082912 412213366 /nfs/dbraw/zinc/21/33/66/412213366.db2.gz IUILPQVKVWQQHO-CYBMUJFWSA-N 2 2 288.355 0.485 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCc1cc(F)ccc1F ZINC000653089755 412213960 /nfs/dbraw/zinc/21/39/60/412213960.db2.gz SPBITXACMWBHRV-CYBMUJFWSA-N 2 2 285.338 0.903 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cc2c([nH]c1=O)CCCC2 ZINC000653192762 412255142 /nfs/dbraw/zinc/25/51/42/412255142.db2.gz VZIJZDDGVDAIGY-NSHDSACASA-N 2 2 292.383 0.884 20 0 CCADLP Cn1nccc1[C@@H]1CCCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653204964 412259327 /nfs/dbraw/zinc/25/93/27/412259327.db2.gz LASGQJNMPMYWER-JSGCOSHPSA-N 2 2 293.415 0.753 20 0 CCADLP CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H]1CCCOC1 ZINC000653249097 412267816 /nfs/dbraw/zinc/26/78/16/412267816.db2.gz OOSYDLVTPZQLMF-NWDGAFQWSA-N 2 2 257.378 0.293 20 0 CCADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N(C)Cc1cnn(C)c1 ZINC000653299559 412285403 /nfs/dbraw/zinc/28/54/03/412285403.db2.gz ZYQIXIPEOKVGQK-AAEUAGOBSA-N 2 2 279.388 0.190 20 0 CCADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N(C)Cc1cnn(C)c1 ZINC000653299559 412285406 /nfs/dbraw/zinc/28/54/06/412285406.db2.gz ZYQIXIPEOKVGQK-AAEUAGOBSA-N 2 2 279.388 0.190 20 0 CCADLP Cc1ccc(CCNC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653091761 412216230 /nfs/dbraw/zinc/21/62/30/412216230.db2.gz HMQTYMVFKBZLOW-CQSZACIVSA-N 2 2 263.385 0.933 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C[C@@H](C(F)(F)F)O1 ZINC000653097345 412216774 /nfs/dbraw/zinc/21/67/74/412216774.db2.gz KJOYZZCBUCXMIO-BBBLOLIVSA-N 2 2 297.321 0.444 20 0 CCADLP CC(C)C[C@H](CCO)CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653101878 412219025 /nfs/dbraw/zinc/21/90/25/412219025.db2.gz IVFGIXUVFRDSES-QWHCGFSZSA-N 2 2 273.421 0.426 20 0 CCADLP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653109517 412221934 /nfs/dbraw/zinc/22/19/34/412221934.db2.gz DJVAIAVQYZMKMW-CHWSQXEVSA-N 3 2 270.421 0.256 20 0 CCADLP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653109517 412221937 /nfs/dbraw/zinc/22/19/37/412221937.db2.gz DJVAIAVQYZMKMW-CHWSQXEVSA-N 3 2 270.421 0.256 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000653109827 412222295 /nfs/dbraw/zinc/22/22/95/412222295.db2.gz OKINUMWQXABJQQ-STQMWFEESA-N 3 2 298.456 0.746 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(-n2cccn2)nc1 ZINC000653107897 412222880 /nfs/dbraw/zinc/22/28/80/412222880.db2.gz ASHHCBAVEBERFB-GFCCVEGCSA-N 2 2 288.355 0.485 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)CCO1 ZINC000653114397 412226536 /nfs/dbraw/zinc/22/65/36/412226536.db2.gz GQZSEMYBFSMAKD-KGLIPLIRSA-N 2 2 295.427 0.744 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)CCO1 ZINC000653114397 412226539 /nfs/dbraw/zinc/22/65/39/412226539.db2.gz GQZSEMYBFSMAKD-KGLIPLIRSA-N 2 2 295.427 0.744 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653116643 412228032 /nfs/dbraw/zinc/22/80/32/412228032.db2.gz NVSBITZNTPXVEO-QWHCGFSZSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653116643 412228035 /nfs/dbraw/zinc/22/80/35/412228035.db2.gz NVSBITZNTPXVEO-QWHCGFSZSA-N 2 2 269.389 0.213 20 0 CCADLP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653122002 412229913 /nfs/dbraw/zinc/22/99/13/412229913.db2.gz IFTUDIMFYIMQHL-KGLIPLIRSA-N 3 2 284.448 0.456 20 0 CCADLP CCc1cnc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)s1 ZINC000653123422 412232805 /nfs/dbraw/zinc/23/28/05/412232805.db2.gz XZNPGNJCGQSAGB-SNVBAGLBSA-N 2 2 270.402 0.601 20 0 CCADLP C[C@H]1C[NH2+]CC[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653134739 412237364 /nfs/dbraw/zinc/23/73/64/412237364.db2.gz JKASEKDYMFZLBP-WCQYABFASA-N 2 2 276.384 0.876 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCCc2cccc(O)c21 ZINC000653148070 412241435 /nfs/dbraw/zinc/24/14/35/412241435.db2.gz NEPLRSIGENSZIX-LBPRGKRZSA-N 2 2 277.368 0.950 20 0 CCADLP COc1ccc(F)cc1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653151318 412244282 /nfs/dbraw/zinc/24/42/82/412244282.db2.gz CQGVACYPICVLTI-LBPRGKRZSA-N 2 2 283.347 0.730 20 0 CCADLP C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653156152 412245272 /nfs/dbraw/zinc/24/52/72/412245272.db2.gz SYTJTVKIMIBZSB-GHMZBOCLSA-N 2 2 286.420 0.027 20 0 CCADLP CC(C)[C@H](O)C1(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653158794 412246346 /nfs/dbraw/zinc/24/63/46/412246346.db2.gz LYUFYGZIBHSRKH-RYUDHWBXSA-N 2 2 271.405 0.179 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000653157854 412246840 /nfs/dbraw/zinc/24/68/40/412246840.db2.gz NXWODFZPYOHXFD-MELADBBJSA-N 3 2 282.432 0.208 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000653157854 412246842 /nfs/dbraw/zinc/24/68/42/412246842.db2.gz NXWODFZPYOHXFD-MELADBBJSA-N 3 2 282.432 0.208 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000653167068 412249467 /nfs/dbraw/zinc/24/94/67/412249467.db2.gz HJWMGQWWPPGEDL-GJZGRUSLSA-N 3 2 290.411 0.350 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](n2ccnc2)C1 ZINC000653547149 412315984 /nfs/dbraw/zinc/31/59/84/412315984.db2.gz ASOXXAQNCJTYKO-KBPBESRZSA-N 2 2 266.389 0.833 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](n2ccnc2)C1 ZINC000653547149 412315988 /nfs/dbraw/zinc/31/59/88/412315988.db2.gz ASOXXAQNCJTYKO-KBPBESRZSA-N 2 2 266.389 0.833 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000653547149 412315992 /nfs/dbraw/zinc/31/59/92/412315992.db2.gz ASOXXAQNCJTYKO-KBPBESRZSA-N 2 2 266.389 0.833 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000653547149 412315994 /nfs/dbraw/zinc/31/59/94/412315994.db2.gz ASOXXAQNCJTYKO-KBPBESRZSA-N 2 2 266.389 0.833 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@]2(CCOC2)C1 ZINC000653568513 412318663 /nfs/dbraw/zinc/31/86/63/412318663.db2.gz YTZFPNMITBOJEQ-ZIAGYGMSSA-N 2 2 272.389 0.038 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@]2(CCOC2)C1 ZINC000653568513 412318666 /nfs/dbraw/zinc/31/86/66/412318666.db2.gz YTZFPNMITBOJEQ-ZIAGYGMSSA-N 2 2 272.389 0.038 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000653568513 412318667 /nfs/dbraw/zinc/31/86/67/412318667.db2.gz YTZFPNMITBOJEQ-ZIAGYGMSSA-N 2 2 272.389 0.038 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000653568513 412318672 /nfs/dbraw/zinc/31/86/72/412318672.db2.gz YTZFPNMITBOJEQ-ZIAGYGMSSA-N 2 2 272.389 0.038 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000653564547 412319455 /nfs/dbraw/zinc/31/94/55/412319455.db2.gz BOXSYBJEIUOHGN-HIFRSBDPSA-N 2 2 286.416 0.569 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000653564547 412319458 /nfs/dbraw/zinc/31/94/58/412319458.db2.gz BOXSYBJEIUOHGN-HIFRSBDPSA-N 2 2 286.416 0.569 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ncnn2CCF)C1 ZINC000653590540 412323046 /nfs/dbraw/zinc/32/30/46/412323046.db2.gz IBFRXJCGYMDFIX-NSHDSACASA-N 2 2 278.335 0.971 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ncnn2CCF)C1 ZINC000653590540 412323048 /nfs/dbraw/zinc/32/30/48/412323048.db2.gz IBFRXJCGYMDFIX-NSHDSACASA-N 2 2 278.335 0.971 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](OC(F)F)C1 ZINC000653611336 412324776 /nfs/dbraw/zinc/32/47/76/412324776.db2.gz UZCHXZJDFCLYNQ-NWDGAFQWSA-N 2 2 296.358 0.629 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](OC(F)F)C1 ZINC000653611336 412324777 /nfs/dbraw/zinc/32/47/77/412324777.db2.gz UZCHXZJDFCLYNQ-NWDGAFQWSA-N 2 2 296.358 0.629 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000653611336 412324781 /nfs/dbraw/zinc/32/47/81/412324781.db2.gz UZCHXZJDFCLYNQ-NWDGAFQWSA-N 2 2 296.358 0.629 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000653642831 412330134 /nfs/dbraw/zinc/33/01/34/412330134.db2.gz YHKNPXAZJCIIRY-CABCVRRESA-N 3 2 287.448 0.342 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000653642831 412330137 /nfs/dbraw/zinc/33/01/37/412330137.db2.gz YHKNPXAZJCIIRY-CABCVRRESA-N 3 2 287.448 0.342 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000653642831 412330141 /nfs/dbraw/zinc/33/01/41/412330141.db2.gz YHKNPXAZJCIIRY-CABCVRRESA-N 3 2 287.448 0.342 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000653642831 412330143 /nfs/dbraw/zinc/33/01/43/412330143.db2.gz YHKNPXAZJCIIRY-CABCVRRESA-N 3 2 287.448 0.342 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](CC(=O)NC)c1ccccc1 ZINC000653656479 412330646 /nfs/dbraw/zinc/33/06/46/412330646.db2.gz DTKPLTJFNHZDBH-CABCVRRESA-N 2 2 293.411 0.766 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](CC(=O)NC)c1ccccc1 ZINC000653656479 412330648 /nfs/dbraw/zinc/33/06/48/412330648.db2.gz DTKPLTJFNHZDBH-CABCVRRESA-N 2 2 293.411 0.766 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCCC[C@H]1CCO ZINC000653664522 412332450 /nfs/dbraw/zinc/33/24/50/412332450.db2.gz CLBHYYOEUVZJCX-LSDHHAIUSA-N 2 2 288.432 0.553 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCCC[C@H]1CCO ZINC000653664522 412332453 /nfs/dbraw/zinc/33/24/53/412332453.db2.gz CLBHYYOEUVZJCX-LSDHHAIUSA-N 2 2 288.432 0.553 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCCC[C@H]1CCO ZINC000653664522 412332455 /nfs/dbraw/zinc/33/24/55/412332455.db2.gz CLBHYYOEUVZJCX-LSDHHAIUSA-N 2 2 288.432 0.553 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCCC[C@H]1CCO ZINC000653664522 412332458 /nfs/dbraw/zinc/33/24/58/412332458.db2.gz CLBHYYOEUVZJCX-LSDHHAIUSA-N 2 2 288.432 0.553 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653778350 412344602 /nfs/dbraw/zinc/34/46/02/412344602.db2.gz YJHSZGAIJWCCTE-UHFFFAOYSA-N 3 2 293.415 0.059 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000653778350 412344605 /nfs/dbraw/zinc/34/46/05/412344605.db2.gz YJHSZGAIJWCCTE-UHFFFAOYSA-N 3 2 293.415 0.059 20 0 CCADLP COC1CC[NH+](CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000654869279 412446346 /nfs/dbraw/zinc/44/63/46/412446346.db2.gz HEKSQOUSOCDNKY-LBPRGKRZSA-N 2 2 294.399 0.815 20 0 CCADLP COC1CC[NH+](CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000654869279 412446349 /nfs/dbraw/zinc/44/63/49/412446349.db2.gz HEKSQOUSOCDNKY-LBPRGKRZSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H](C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)[NH+]1CCOCC1 ZINC000654927628 412451030 /nfs/dbraw/zinc/45/10/30/412451030.db2.gz VITBKYHRZGQVFG-SOUVJXGZSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H](C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)[NH+]1CCOCC1 ZINC000654927628 412451032 /nfs/dbraw/zinc/45/10/32/412451032.db2.gz VITBKYHRZGQVFG-SOUVJXGZSA-N 2 2 295.427 0.650 20 0 CCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CC(C)(C)C3)[C@H]2C1 ZINC000654989114 412458475 /nfs/dbraw/zinc/45/84/75/412458475.db2.gz KTMVYJFUMMNOIK-OLZOCXBDSA-N 2 2 265.401 0.881 20 0 CCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CC(C)(C)C3)[C@H]2C1 ZINC000654989114 412458477 /nfs/dbraw/zinc/45/84/77/412458477.db2.gz KTMVYJFUMMNOIK-OLZOCXBDSA-N 2 2 265.401 0.881 20 0 CCADLP CC1(C)C[NH+](CC(=O)N2CC[N@H+](CCO)C(C)(C)C2)C1 ZINC000655016691 412461750 /nfs/dbraw/zinc/46/17/50/412461750.db2.gz CAMYZXUKJHZZKQ-UHFFFAOYSA-N 2 2 283.416 0.243 20 0 CCADLP CC1(C)C[NH+](CC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C1 ZINC000655016691 412461752 /nfs/dbraw/zinc/46/17/52/412461752.db2.gz CAMYZXUKJHZZKQ-UHFFFAOYSA-N 2 2 283.416 0.243 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)C[NH+]2CCC(C)(C)C2)CCO1 ZINC000655035889 412465905 /nfs/dbraw/zinc/46/59/05/412465905.db2.gz LLEFUIFOZKWLQK-AWEZNQCLSA-N 2 2 297.443 0.945 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)C[NH+]2CCC(C)(C)C2)CCO1 ZINC000655035889 412465906 /nfs/dbraw/zinc/46/59/06/412465906.db2.gz LLEFUIFOZKWLQK-AWEZNQCLSA-N 2 2 297.443 0.945 20 0 CCADLP CC[C@H]1C[NH+](CCNC(=O)C[N@@H+]2CCC(C)(C)C2)CCO1 ZINC000655035889 412465907 /nfs/dbraw/zinc/46/59/07/412465907.db2.gz LLEFUIFOZKWLQK-AWEZNQCLSA-N 2 2 297.443 0.945 20 0 CCADLP CC[C@H]1C[NH+](CCNC(=O)C[N@H+]2CCC(C)(C)C2)CCO1 ZINC000655035889 412465908 /nfs/dbraw/zinc/46/59/08/412465908.db2.gz LLEFUIFOZKWLQK-AWEZNQCLSA-N 2 2 297.443 0.945 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)C(C)(C)C1)[C@@H]1CCSC1 ZINC000655051723 412468462 /nfs/dbraw/zinc/46/84/62/412468462.db2.gz BMZUGIZSTTZNDA-GFCCVEGCSA-N 2 2 285.457 0.976 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)C(C)(C)C1)[C@@H]1CCSC1 ZINC000655051723 412468464 /nfs/dbraw/zinc/46/84/64/412468464.db2.gz BMZUGIZSTTZNDA-GFCCVEGCSA-N 2 2 285.457 0.976 20 0 CCADLP C[NH+](CC(=O)N1CC[N@H+](C)C(C)(C)C1)[C@@H]1CCSC1 ZINC000655051723 412468466 /nfs/dbraw/zinc/46/84/66/412468466.db2.gz BMZUGIZSTTZNDA-GFCCVEGCSA-N 2 2 285.457 0.976 20 0 CCADLP C[NH+](CC(=O)N1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CCSC1 ZINC000655051723 412468468 /nfs/dbraw/zinc/46/84/68/412468468.db2.gz BMZUGIZSTTZNDA-GFCCVEGCSA-N 2 2 285.457 0.976 20 0 CCADLP C[C@H](CC(=O)NC[C@@]1(O)C[NH+]2CCC1CC2)n1cc[nH+]c1 ZINC000655074254 412473237 /nfs/dbraw/zinc/47/32/37/412473237.db2.gz CUNWWWCKZGNNBR-IUODEOHRSA-N 2 2 292.383 0.407 20 0 CCADLP C[C@H](CC(=O)NC[C@]1(O)C[NH+]2CCC1CC2)n1cc[nH+]c1 ZINC000655074253 412473546 /nfs/dbraw/zinc/47/35/46/412473546.db2.gz CUNWWWCKZGNNBR-DOMZBBRYSA-N 2 2 292.383 0.407 20 0 CCADLP C[C@H]1C[C@H](NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c2[nH+]ccn21 ZINC000659501346 413557104 /nfs/dbraw/zinc/55/71/04/413557104.db2.gz KNEHPCSDWRHGRC-ZDCRXTMVSA-N 2 2 281.335 0.970 20 0 CCADLP C[N@@H+]1CC[C@H]2OCCN(C(=O)C=Cc3c[nH]c[nH+]3)[C@H]2C1 ZINC000285177176 196214531 /nfs/dbraw/zinc/21/45/31/196214531.db2.gz ZHAKWRLFHPSWOK-OUDYMMNNSA-N 2 2 276.340 0.354 20 0 CCADLP C[N@H+]1CC[C@H]2OCCN(C(=O)C=Cc3c[nH]c[nH+]3)[C@H]2C1 ZINC000285177176 196214533 /nfs/dbraw/zinc/21/45/33/196214533.db2.gz ZHAKWRLFHPSWOK-OUDYMMNNSA-N 2 2 276.340 0.354 20 0 CCADLP CC(C)C[C@@H](C[NH3+])NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659523840 413598945 /nfs/dbraw/zinc/59/89/45/413598945.db2.gz XMKAWLGYLYVGGT-UONOGXRCSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@H](CCC[NH3+])NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000659554862 413647597 /nfs/dbraw/zinc/64/75/97/413647597.db2.gz VYCIAPFYHGUUCY-NXEZZACHSA-N 2 2 253.350 0.908 20 0 CCADLP CC(C)[C@H]([NH3+])CCNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000659620885 413719566 /nfs/dbraw/zinc/71/95/66/413719566.db2.gz RSLJKMHIGWZJAV-LLVKDONJSA-N 2 2 253.350 0.925 20 0 CCADLP CC(C)[C@H]([NH3+])CCNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000659620885 413719576 /nfs/dbraw/zinc/71/95/76/413719576.db2.gz RSLJKMHIGWZJAV-LLVKDONJSA-N 2 2 253.350 0.925 20 0 CCADLP C[C@H](NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)c1[nH+]ccn1C ZINC000659628040 413724116 /nfs/dbraw/zinc/72/41/16/413724116.db2.gz KHEBAOKRXDPBSS-QJPTWQEYSA-N 2 2 277.372 0.875 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000659633683 413733773 /nfs/dbraw/zinc/73/37/73/413733773.db2.gz FHMAYQLRKQNTLV-XQQFMLRXSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@H](O)C[NH+]1CCN(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000659873889 413932624 /nfs/dbraw/zinc/93/26/24/413932624.db2.gz AVKDGRYEKYGUFD-SOUVJXGZSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@H](O)C[NH+]1CCN(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000659873889 413932631 /nfs/dbraw/zinc/93/26/31/413932631.db2.gz AVKDGRYEKYGUFD-SOUVJXGZSA-N 2 2 285.432 0.094 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000659814242 413886014 /nfs/dbraw/zinc/88/60/14/413886014.db2.gz OWOQCUIFGHFORL-CQSZACIVSA-N 2 2 285.432 0.488 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000659814242 413886019 /nfs/dbraw/zinc/88/60/19/413886019.db2.gz OWOQCUIFGHFORL-CQSZACIVSA-N 2 2 285.432 0.488 20 0 CCADLP COCC[NH+]1CCN(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000659835495 413900987 /nfs/dbraw/zinc/90/09/87/413900987.db2.gz KNNNQJNIJAWHAV-GASCZTMLSA-N 2 2 285.432 0.360 20 0 CCADLP COCC[NH+]1CCN(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000659835495 413900993 /nfs/dbraw/zinc/90/09/93/413900993.db2.gz KNNNQJNIJAWHAV-GASCZTMLSA-N 2 2 285.432 0.360 20 0 CCADLP CCN1OC[C@@H]([N@@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)C1=O ZINC000659980139 414016452 /nfs/dbraw/zinc/01/64/52/414016452.db2.gz RPOVLIWENKRFOD-ZIAGYGMSSA-N 2 2 299.415 0.581 20 0 CCADLP CCN1OC[C@@H]([N@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)C1=O ZINC000659980139 414016458 /nfs/dbraw/zinc/01/64/58/414016458.db2.gz RPOVLIWENKRFOD-ZIAGYGMSSA-N 2 2 299.415 0.581 20 0 CCADLP C[NH+](C)CC(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000285726665 196379948 /nfs/dbraw/zinc/37/99/48/196379948.db2.gz GDSZOQIYMWALFE-HNNXBMFYSA-N 2 2 275.396 0.933 20 0 CCADLP C[NH+](C)CC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000285726665 196379950 /nfs/dbraw/zinc/37/99/50/196379950.db2.gz GDSZOQIYMWALFE-HNNXBMFYSA-N 2 2 275.396 0.933 20 0 CCADLP C[NH2+]C1CC[NH+]([C@@H](C)C(=O)NCCCOC)CC1 ZINC000037536913 173256677 /nfs/dbraw/zinc/25/66/77/173256677.db2.gz NEHQRBDPADZFMI-NSHDSACASA-N 2 2 257.378 0.211 20 0 CCADLP CCN1OC[C@@H](N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1=O ZINC000660139019 414142926 /nfs/dbraw/zinc/14/29/26/414142926.db2.gz FXCZJDVKUBETQX-CQSZACIVSA-N 2 2 298.431 0.107 20 0 CCADLP CCN1OC[C@@H](N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1=O ZINC000660139019 414142935 /nfs/dbraw/zinc/14/29/35/414142935.db2.gz FXCZJDVKUBETQX-CQSZACIVSA-N 2 2 298.431 0.107 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](n2cncn2)C1 ZINC000660323607 414248033 /nfs/dbraw/zinc/24/80/33/414248033.db2.gz AUMLUFYQQJZADB-QWHCGFSZSA-N 2 2 267.377 0.226 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](n2cncn2)C1 ZINC000660323607 414248039 /nfs/dbraw/zinc/24/80/39/414248039.db2.gz AUMLUFYQQJZADB-QWHCGFSZSA-N 2 2 267.377 0.226 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000660323607 414248049 /nfs/dbraw/zinc/24/80/49/414248049.db2.gz AUMLUFYQQJZADB-QWHCGFSZSA-N 2 2 267.377 0.226 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000660323607 414248053 /nfs/dbraw/zinc/24/80/53/414248053.db2.gz AUMLUFYQQJZADB-QWHCGFSZSA-N 2 2 267.377 0.226 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000660463798 414337568 /nfs/dbraw/zinc/33/75/68/414337568.db2.gz IUDAEMJDCKUJFJ-VXGBXAGGSA-N 2 2 298.387 0.656 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000660463798 414337575 /nfs/dbraw/zinc/33/75/75/414337575.db2.gz IUDAEMJDCKUJFJ-VXGBXAGGSA-N 2 2 298.387 0.656 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000660463798 414337580 /nfs/dbraw/zinc/33/75/80/414337580.db2.gz IUDAEMJDCKUJFJ-VXGBXAGGSA-N 2 2 298.387 0.656 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000660463798 414337585 /nfs/dbraw/zinc/33/75/85/414337585.db2.gz IUDAEMJDCKUJFJ-VXGBXAGGSA-N 2 2 298.387 0.656 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000660463798 414337588 /nfs/dbraw/zinc/33/75/88/414337588.db2.gz IUDAEMJDCKUJFJ-VXGBXAGGSA-N 2 2 298.387 0.656 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000660463798 414337595 /nfs/dbraw/zinc/33/75/95/414337595.db2.gz IUDAEMJDCKUJFJ-VXGBXAGGSA-N 2 2 298.387 0.656 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000660463798 414337600 /nfs/dbraw/zinc/33/76/00/414337600.db2.gz IUDAEMJDCKUJFJ-VXGBXAGGSA-N 2 2 298.387 0.656 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000660463798 414337606 /nfs/dbraw/zinc/33/76/06/414337606.db2.gz IUDAEMJDCKUJFJ-VXGBXAGGSA-N 2 2 298.387 0.656 20 0 CCADLP CCOC[C@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660474200 414344459 /nfs/dbraw/zinc/34/44/59/414344459.db2.gz ZEMAYSMPENNCGT-HUUCEWRRSA-N 2 2 286.416 0.571 20 0 CCADLP CCOC[C@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660474200 414344467 /nfs/dbraw/zinc/34/44/67/414344467.db2.gz ZEMAYSMPENNCGT-HUUCEWRRSA-N 2 2 286.416 0.571 20 0 CCADLP C[C@H](O)CC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660478369 414347737 /nfs/dbraw/zinc/34/77/37/414347737.db2.gz LZHJMLGGQBHMIC-KBPBESRZSA-N 2 2 256.390 0.944 20 0 CCADLP C[C@H](O)CC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660478369 414347747 /nfs/dbraw/zinc/34/77/47/414347747.db2.gz LZHJMLGGQBHMIC-KBPBESRZSA-N 2 2 256.390 0.944 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660659087 414432221 /nfs/dbraw/zinc/43/22/21/414432221.db2.gz MSJJFLPNJVGRTA-HNNXBMFYSA-N 2 2 283.416 0.557 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660659087 414432228 /nfs/dbraw/zinc/43/22/28/414432228.db2.gz MSJJFLPNJVGRTA-HNNXBMFYSA-N 2 2 283.416 0.557 20 0 CCADLP CCOCCNC(=O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660659087 414432231 /nfs/dbraw/zinc/43/22/31/414432231.db2.gz MSJJFLPNJVGRTA-HNNXBMFYSA-N 2 2 283.416 0.557 20 0 CCADLP CCOCCNC(=O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660659087 414432237 /nfs/dbraw/zinc/43/22/37/414432237.db2.gz MSJJFLPNJVGRTA-HNNXBMFYSA-N 2 2 283.416 0.557 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCN(c2ncns2)CC1 ZINC000660704308 414449859 /nfs/dbraw/zinc/44/98/59/414449859.db2.gz BXVJWWNLOXYPLP-UHFFFAOYSA-N 2 2 278.385 0.865 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C[C@H](C)O1 ZINC000660724333 414462830 /nfs/dbraw/zinc/46/28/30/414462830.db2.gz CMMLIEHWFUSKEK-GEEKYZPCSA-N 2 2 299.459 0.483 20 0 CCADLP C[C@@H]1C[N@H+](CCN2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C[C@H](C)O1 ZINC000660724333 414462835 /nfs/dbraw/zinc/46/28/35/414462835.db2.gz CMMLIEHWFUSKEK-GEEKYZPCSA-N 2 2 299.459 0.483 20 0 CCADLP C[C@@H]1C[NH+](CCN2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C[C@H](C)O1 ZINC000660724333 414462838 /nfs/dbraw/zinc/46/28/38/414462838.db2.gz CMMLIEHWFUSKEK-GEEKYZPCSA-N 2 2 299.459 0.483 20 0 CCADLP C[C@@H]1C[NH+](CCN2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)C[C@H](C)O1 ZINC000660724333 414462843 /nfs/dbraw/zinc/46/28/43/414462843.db2.gz CMMLIEHWFUSKEK-GEEKYZPCSA-N 2 2 299.459 0.483 20 0 CCADLP C[C@@H](NC(=O)NCC[N@H+](C)C1CC1)c1[nH+]ccn1C ZINC000660838015 414499392 /nfs/dbraw/zinc/49/93/92/414499392.db2.gz DIOWDJPZUUGNHO-SNVBAGLBSA-N 2 2 265.361 0.875 20 0 CCADLP C[C@@H](NC(=O)NCC[N@@H+](C)C1CC1)c1[nH+]ccn1C ZINC000660838015 414499397 /nfs/dbraw/zinc/49/93/97/414499397.db2.gz DIOWDJPZUUGNHO-SNVBAGLBSA-N 2 2 265.361 0.875 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000661303490 414594719 /nfs/dbraw/zinc/59/47/19/414594719.db2.gz MLAWQJOZSIHIBD-CYBMUJFWSA-N 2 2 279.388 0.746 20 0 CCADLP CCC[NH+]1CCC([NH2+]C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000038082565 174091748 /nfs/dbraw/zinc/09/17/48/174091748.db2.gz HRUPGCRQDKUNAR-GFCCVEGCSA-N 2 2 274.430 0.885 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@](O)(C2CC2)C1 ZINC000661633147 414658635 /nfs/dbraw/zinc/65/86/35/414658635.db2.gz UNJWHMLQFWZNTD-LSDHHAIUSA-N 2 2 286.416 0.162 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@](O)(C2CC2)C1 ZINC000661633147 414658637 /nfs/dbraw/zinc/65/86/37/414658637.db2.gz UNJWHMLQFWZNTD-LSDHHAIUSA-N 2 2 286.416 0.162 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000661633147 414658639 /nfs/dbraw/zinc/65/86/39/414658639.db2.gz UNJWHMLQFWZNTD-LSDHHAIUSA-N 2 2 286.416 0.162 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000661633147 414658640 /nfs/dbraw/zinc/65/86/40/414658640.db2.gz UNJWHMLQFWZNTD-LSDHHAIUSA-N 2 2 286.416 0.162 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)CC1=CCCOC1 ZINC000661653752 414659582 /nfs/dbraw/zinc/65/95/82/414659582.db2.gz SVWFVANJECGWGA-CQSZACIVSA-N 2 2 272.389 0.204 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)CC1=CCCOC1 ZINC000661653752 414659584 /nfs/dbraw/zinc/65/95/84/414659584.db2.gz SVWFVANJECGWGA-CQSZACIVSA-N 2 2 272.389 0.204 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)CC1=CCCOC1 ZINC000661653752 414659586 /nfs/dbraw/zinc/65/95/86/414659586.db2.gz SVWFVANJECGWGA-CQSZACIVSA-N 2 2 272.389 0.204 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)CC1=CCCOC1 ZINC000661653752 414659587 /nfs/dbraw/zinc/65/95/87/414659587.db2.gz SVWFVANJECGWGA-CQSZACIVSA-N 2 2 272.389 0.204 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)N2CCCCC2)C1 ZINC000040601067 174350665 /nfs/dbraw/zinc/35/06/65/174350665.db2.gz RZWWHDLRKIUMKL-ZDUSSCGKSA-N 2 2 253.390 0.930 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC000040601067 174350666 /nfs/dbraw/zinc/35/06/66/174350666.db2.gz RZWWHDLRKIUMKL-ZDUSSCGKSA-N 2 2 253.390 0.930 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000662262507 414701646 /nfs/dbraw/zinc/70/16/46/414701646.db2.gz VUQLAHSWQMXBDO-GJZGRUSLSA-N 2 2 283.416 0.162 20 0 CCADLP C([C@@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]CCO1)N1CCOCC1 ZINC000662262507 414701647 /nfs/dbraw/zinc/70/16/47/414701647.db2.gz VUQLAHSWQMXBDO-GJZGRUSLSA-N 2 2 283.416 0.162 20 0 CCADLP C([C@@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]CCO1)N1CCOCC1 ZINC000662262507 414701648 /nfs/dbraw/zinc/70/16/48/414701648.db2.gz VUQLAHSWQMXBDO-GJZGRUSLSA-N 2 2 283.416 0.162 20 0 CCADLP O[C@@H](C[NH2+]Cc1cccc2c1OCO2)C[NH+]1CCCC1 ZINC000040667368 174366750 /nfs/dbraw/zinc/36/67/50/174366750.db2.gz LOSZEDOIUNJJPK-ZDUSSCGKSA-N 2 2 278.352 0.962 20 0 CCADLP C[C@H](c1cccnc1)[NH+]1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC000662266149 414703052 /nfs/dbraw/zinc/70/30/52/414703052.db2.gz YIKYHOZJFLHLEM-GDBMZVCRSA-N 2 2 290.411 0.749 20 0 CCADLP CC(C)(C)n1nnc(CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)n1 ZINC000662272918 414703726 /nfs/dbraw/zinc/70/37/26/414703726.db2.gz KRYSBKIQKMSVGX-NEPJUHHUSA-N 2 2 278.404 0.654 20 0 CCADLP CC(C)(C)n1nnc(CC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)n1 ZINC000662272918 414703727 /nfs/dbraw/zinc/70/37/27/414703727.db2.gz KRYSBKIQKMSVGX-NEPJUHHUSA-N 2 2 278.404 0.654 20 0 CCADLP CC(C)(C)n1nnc(CC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)n1 ZINC000662272923 414703779 /nfs/dbraw/zinc/70/37/79/414703779.db2.gz KRYSBKIQKMSVGX-VXGBXAGGSA-N 2 2 278.404 0.654 20 0 CCADLP CC(C)(C)n1nnc(CC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)n1 ZINC000662272923 414703780 /nfs/dbraw/zinc/70/37/80/414703780.db2.gz KRYSBKIQKMSVGX-VXGBXAGGSA-N 2 2 278.404 0.654 20 0 CCADLP C[N@H+](CCc1nnn(C(C)(C)C)n1)[C@H](C[NH3+])C1CC1 ZINC000662273583 414704267 /nfs/dbraw/zinc/70/42/67/414704267.db2.gz OOGDWCKPWJGIDO-LLVKDONJSA-N 2 2 266.393 0.640 20 0 CCADLP C[N@@H+](CCc1nnn(C(C)(C)C)n1)[C@H](C[NH3+])C1CC1 ZINC000662273583 414704268 /nfs/dbraw/zinc/70/42/68/414704268.db2.gz OOGDWCKPWJGIDO-LLVKDONJSA-N 2 2 266.393 0.640 20 0 CCADLP Cc1cc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)nc(C)n1 ZINC000662280707 414704885 /nfs/dbraw/zinc/70/48/85/414704885.db2.gz HBPGJXUHXGZMHA-CYBMUJFWSA-N 2 2 250.346 0.643 20 0 CCADLP Cc1cc(C[N@H+]2CCCO[C@H](C[NH3+])C2)nc(C)n1 ZINC000662280707 414704886 /nfs/dbraw/zinc/70/48/86/414704886.db2.gz HBPGJXUHXGZMHA-CYBMUJFWSA-N 2 2 250.346 0.643 20 0 CCADLP C([NH2+][C@H]1CCCC12CCOCC2)[C@H]1C[NH2+]CCO1 ZINC000662281729 414705581 /nfs/dbraw/zinc/70/55/81/414705581.db2.gz LLIOMDVQTPAUAB-OLZOCXBDSA-N 2 2 254.374 0.914 20 0 CCADLP CC(C)(C)n1nnc(CC[N@@H+]2CCCO[C@@H](C[NH3+])C2)n1 ZINC000662282797 414705780 /nfs/dbraw/zinc/70/57/80/414705780.db2.gz WMLOHLGMPFFEOC-NSHDSACASA-N 2 2 282.392 0.020 20 0 CCADLP CC(C)(C)n1nnc(CC[N@H+]2CCCO[C@@H](C[NH3+])C2)n1 ZINC000662282797 414705781 /nfs/dbraw/zinc/70/57/81/414705781.db2.gz WMLOHLGMPFFEOC-NSHDSACASA-N 2 2 282.392 0.020 20 0 CCADLP COCC[NH2+]C1CC[NH+]([C@@H]2CCCN(C)C2=O)CC1 ZINC000662283598 414705795 /nfs/dbraw/zinc/70/57/95/414705795.db2.gz BEWABEDSSFRZPR-CYBMUJFWSA-N 2 2 269.389 0.308 20 0 CCADLP Cc1noc([C@@H](C)[N@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662282550 414705895 /nfs/dbraw/zinc/70/58/95/414705895.db2.gz CDGQPCLCPHDPRH-MWLCHTKSSA-N 2 2 266.345 0.892 20 0 CCADLP CC(C)N1CCC[C@H]([NH2+]C2(CO)CC[NH2+]CC2)C1=O ZINC000662287219 414706483 /nfs/dbraw/zinc/70/64/83/414706483.db2.gz VBBKGUJDTJBGNU-LBPRGKRZSA-N 2 2 269.389 0.090 20 0 CCADLP Cc1cc(C)c(C[N@H+](CC[NH3+])C[C@@H](O)CO)c(C)c1 ZINC000662289665 414706966 /nfs/dbraw/zinc/70/69/66/414706966.db2.gz VBRYLAXXZILBHF-CQSZACIVSA-N 2 2 266.385 0.726 20 0 CCADLP Cc1cc(C)c(C[N@@H+](CC[NH3+])C[C@@H](O)CO)c(C)c1 ZINC000662289665 414706967 /nfs/dbraw/zinc/70/69/67/414706967.db2.gz VBRYLAXXZILBHF-CQSZACIVSA-N 2 2 266.385 0.726 20 0 CCADLP Cc1cc(C)cc(C[N@H+](CC[NH3+])C[C@@H](O)CO)c1 ZINC000662289576 414707086 /nfs/dbraw/zinc/70/70/86/414707086.db2.gz ZHIAUIKJGYYOOE-CQSZACIVSA-N 2 2 252.358 0.417 20 0 CCADLP Cc1cc(C)cc(C[N@@H+](CC[NH3+])C[C@@H](O)CO)c1 ZINC000662289576 414707087 /nfs/dbraw/zinc/70/70/87/414707087.db2.gz ZHIAUIKJGYYOOE-CQSZACIVSA-N 2 2 252.358 0.417 20 0 CCADLP Cn1nnnc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662292511 414707495 /nfs/dbraw/zinc/70/74/95/414707495.db2.gz NIHCDWYOZAIOGM-LBPRGKRZSA-N 2 2 264.377 0.422 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291925 414707541 /nfs/dbraw/zinc/70/75/41/414707541.db2.gz ARSIGDMNAXZUTE-CABCVRRESA-N 3 2 267.417 0.686 20 0 CCADLP C(C[N@H+](CC1CC1)C[C@H]1C[NH2+]CCO1)N1CCOCC1 ZINC000662315409 414708672 /nfs/dbraw/zinc/70/86/72/414708672.db2.gz OHLUQOCFPOMSEK-OAHLLOKOSA-N 2 2 283.416 0.019 20 0 CCADLP C(C[N@@H+](CC1CC1)C[C@H]1C[NH2+]CCO1)N1CCOCC1 ZINC000662315409 414708673 /nfs/dbraw/zinc/70/86/73/414708673.db2.gz OHLUQOCFPOMSEK-OAHLLOKOSA-N 2 2 283.416 0.019 20 0 CCADLP C[NH+](C)CCC[C@H]1CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000662320111 414709080 /nfs/dbraw/zinc/70/90/80/414709080.db2.gz PWXPCKWRWMVBEI-LBPRGKRZSA-N 2 2 252.362 0.952 20 0 CCADLP CN1CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCC1=O ZINC000662317627 414709166 /nfs/dbraw/zinc/70/91/66/414709166.db2.gz YEWYXNHEZVXLHC-GJZGRUSLSA-N 2 2 291.395 0.081 20 0 CCADLP CN1CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCC1=O ZINC000662317627 414709167 /nfs/dbraw/zinc/70/91/67/414709167.db2.gz YEWYXNHEZVXLHC-GJZGRUSLSA-N 2 2 291.395 0.081 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CCO[C@H](CCC[NH+](C)C)C2)CCO1 ZINC000662323989 414709622 /nfs/dbraw/zinc/70/96/22/414709622.db2.gz RTXLOGLSILBBNR-HZPDHXFCSA-N 2 2 299.459 0.750 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CCO[C@H](CCC[NH+](C)C)C2)CCO1 ZINC000662323989 414709623 /nfs/dbraw/zinc/70/96/23/414709623.db2.gz RTXLOGLSILBBNR-HZPDHXFCSA-N 2 2 299.459 0.750 20 0 CCADLP CN1CCC[C@@H]([N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)C1=O ZINC000662324939 414709728 /nfs/dbraw/zinc/70/97/28/414709728.db2.gz FKEYHEUGZFIZBR-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CN1CCC[C@@H]([N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)C1=O ZINC000662324939 414709729 /nfs/dbraw/zinc/70/97/29/414709729.db2.gz FKEYHEUGZFIZBR-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000662326836 414710465 /nfs/dbraw/zinc/71/04/65/414710465.db2.gz DIRHKSANEQLNSD-HNNXBMFYSA-N 2 2 277.368 0.114 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000662326836 414710466 /nfs/dbraw/zinc/71/04/66/414710466.db2.gz DIRHKSANEQLNSD-HNNXBMFYSA-N 2 2 277.368 0.114 20 0 CCADLP COc1cc[nH+]c(CN2CC[C@@H](F)[C@H]([NH3+])C2)c1OC ZINC000662325080 414710495 /nfs/dbraw/zinc/71/04/95/414710495.db2.gz BQYOODQEHVNYQN-NXEZZACHSA-N 2 2 269.320 0.970 20 0 CCADLP CN(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H](C[NH3+])C(F)(F)F ZINC000662331980 414710805 /nfs/dbraw/zinc/71/08/05/414710805.db2.gz QRIHCWVZRYZDLF-AXFHLTTASA-N 2 2 281.322 0.671 20 0 CCADLP CN(CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H](C[NH3+])C(F)(F)F ZINC000662331980 414710806 /nfs/dbraw/zinc/71/08/06/414710806.db2.gz QRIHCWVZRYZDLF-AXFHLTTASA-N 2 2 281.322 0.671 20 0 CCADLP C(C[NH+]1CCOCC1)C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662033700 414687891 /nfs/dbraw/zinc/68/78/91/414687891.db2.gz KPCODBXROJCREF-KBPBESRZSA-N 2 2 254.374 0.677 20 0 CCADLP C(C[NH+]1CCOCC1)C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662033700 414687892 /nfs/dbraw/zinc/68/78/92/414687892.db2.gz KPCODBXROJCREF-KBPBESRZSA-N 2 2 254.374 0.677 20 0 CCADLP C[C@H](NC(=O)N1CC[NH+]2CCC1CC2)c1[nH+]ccn1C ZINC000662096097 414691007 /nfs/dbraw/zinc/69/10/07/414691007.db2.gz JNDNNDJGJCUUSE-NSHDSACASA-N 2 2 277.372 0.971 20 0 CCADLP Cn1cc[nH+]c1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662147886 414692865 /nfs/dbraw/zinc/69/28/65/414692865.db2.gz IGKLOTWITUMWSR-ZDUSSCGKSA-N 2 2 264.373 0.451 20 0 CCADLP Cn1cc[nH+]c1CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662147886 414692866 /nfs/dbraw/zinc/69/28/66/414692866.db2.gz IGKLOTWITUMWSR-ZDUSSCGKSA-N 2 2 264.373 0.451 20 0 CCADLP Cn1c[nH+]cc1CCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662149035 414693470 /nfs/dbraw/zinc/69/34/70/414693470.db2.gz MUPYCZQMTYERBL-INIZCTEOSA-N 3 2 292.427 0.884 20 0 CCADLP Cn1c[nH+]cc1CCC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662149035 414693471 /nfs/dbraw/zinc/69/34/71/414693471.db2.gz MUPYCZQMTYERBL-INIZCTEOSA-N 3 2 292.427 0.884 20 0 CCADLP Cn1c[nH+]cc1CCCN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662149035 414693472 /nfs/dbraw/zinc/69/34/72/414693472.db2.gz MUPYCZQMTYERBL-INIZCTEOSA-N 2 2 292.427 0.884 20 0 CCADLP Cn1c[nH+]cc1CCCN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662149035 414693473 /nfs/dbraw/zinc/69/34/73/414693473.db2.gz MUPYCZQMTYERBL-INIZCTEOSA-N 2 2 292.427 0.884 20 0 CCADLP O[C@@H](C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)CC(F)(F)F ZINC000662151206 414693502 /nfs/dbraw/zinc/69/35/02/414693502.db2.gz GDYJCJHJHAEDOP-NWDGAFQWSA-N 2 2 296.333 0.831 20 0 CCADLP O[C@@H](C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)CC(F)(F)F ZINC000662151206 414693503 /nfs/dbraw/zinc/69/35/03/414693503.db2.gz GDYJCJHJHAEDOP-NWDGAFQWSA-N 2 2 296.333 0.831 20 0 CCADLP C[C@](O)(C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)C(F)(F)F ZINC000662151468 414693695 /nfs/dbraw/zinc/69/36/95/414693695.db2.gz HSXSCDPVXOLAMG-RYUDHWBXSA-N 2 2 296.333 0.831 20 0 CCADLP C[C@](O)(C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)C(F)(F)F ZINC000662151468 414693696 /nfs/dbraw/zinc/69/36/96/414693696.db2.gz HSXSCDPVXOLAMG-RYUDHWBXSA-N 2 2 296.333 0.831 20 0 CCADLP NS(=O)(=O)c1cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)co1 ZINC000662235854 414698554 /nfs/dbraw/zinc/69/85/54/414698554.db2.gz UIXDKACOZRHRQO-UHFFFAOYSA-N 2 2 299.396 0.643 20 0 CCADLP NS(=O)(=O)c1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)co1 ZINC000662235854 414698555 /nfs/dbraw/zinc/69/85/55/414698555.db2.gz UIXDKACOZRHRQO-UHFFFAOYSA-N 2 2 299.396 0.643 20 0 CCADLP CCCCN(C)C(=O)C1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662251398 414699313 /nfs/dbraw/zinc/69/93/13/414699313.db2.gz BNFNCCAMGLTDMA-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP O=C(NCC1CC1)[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662252187 414699811 /nfs/dbraw/zinc/69/98/11/414699811.db2.gz MQEYNCXIJVXWQS-KGLIPLIRSA-N 2 2 281.400 0.213 20 0 CCADLP O=C(NCC1CC1)[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662252187 414699812 /nfs/dbraw/zinc/69/98/12/414699812.db2.gz MQEYNCXIJVXWQS-KGLIPLIRSA-N 2 2 281.400 0.213 20 0 CCADLP Cc1cc(C[N@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)no1 ZINC000662251693 414700104 /nfs/dbraw/zinc/70/01/04/414700104.db2.gz IECLMACNTWBJMR-LBPRGKRZSA-N 2 2 251.330 0.936 20 0 CCADLP Cc1cc(C[N@@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)no1 ZINC000662251693 414700105 /nfs/dbraw/zinc/70/01/05/414700105.db2.gz IECLMACNTWBJMR-LBPRGKRZSA-N 2 2 251.330 0.936 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000662257698 414700452 /nfs/dbraw/zinc/70/04/52/414700452.db2.gz UMMVFHZSBYHDFC-UONOGXRCSA-N 2 2 254.374 0.867 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000662257698 414700453 /nfs/dbraw/zinc/70/04/53/414700453.db2.gz UMMVFHZSBYHDFC-UONOGXRCSA-N 2 2 254.374 0.867 20 0 CCADLP CCCNC(=O)[C@@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662256506 414700593 /nfs/dbraw/zinc/70/05/93/414700593.db2.gz IOYNFSZMMMVUSQ-CHWSQXEVSA-N 2 2 269.389 0.213 20 0 CCADLP CCCNC(=O)[C@@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662256506 414700594 /nfs/dbraw/zinc/70/05/94/414700594.db2.gz IOYNFSZMMMVUSQ-CHWSQXEVSA-N 2 2 269.389 0.213 20 0 CCADLP C[NH2+]CCC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000662760590 414769436 /nfs/dbraw/zinc/76/94/36/414769436.db2.gz XQDYMALWLABNCW-NSHDSACASA-N 2 2 250.346 0.939 20 0 CCADLP C[C@H](CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])[C@H]1CCCO1 ZINC000662430048 414717531 /nfs/dbraw/zinc/71/75/31/414717531.db2.gz UDTRWLIOVAZQOK-FRRDWIJNSA-N 2 2 269.389 0.293 20 0 CCADLP C[C@H](CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])[C@H]1CCCO1 ZINC000662430048 414717532 /nfs/dbraw/zinc/71/75/32/414717532.db2.gz UDTRWLIOVAZQOK-FRRDWIJNSA-N 2 2 269.389 0.293 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)c1cccc2c1C[NH2+]C2 ZINC000662439309 414718483 /nfs/dbraw/zinc/71/84/83/414718483.db2.gz JJFIVELHVNZDNV-UHFFFAOYSA-N 2 2 289.379 0.694 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)c1cn(CC[NH3+])nn1 ZINC000662474038 414721536 /nfs/dbraw/zinc/72/15/36/414721536.db2.gz QIFXVKJZFGBYHQ-UHFFFAOYSA-N 2 2 291.359 0.019 20 0 CCADLP CC(C)OC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000662480129 414721811 /nfs/dbraw/zinc/72/18/11/414721811.db2.gz UKBQCJZXDTXNJC-KGLIPLIRSA-N 2 2 299.415 0.062 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662529086 414725872 /nfs/dbraw/zinc/72/58/72/414725872.db2.gz ODWMWUADNCJSAD-UHFFFAOYSA-N 2 2 286.339 0.580 20 0 CCADLP C[NH2+][C@@H](C)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000662529659 414725892 /nfs/dbraw/zinc/72/58/92/414725892.db2.gz FOGGKXPPBMCESC-RWMBFGLXSA-N 2 2 269.389 0.354 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662586185 414730361 /nfs/dbraw/zinc/73/03/61/414730361.db2.gz GTMVHRUXZYGPJL-HUUCEWRRSA-N 3 2 296.459 0.504 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000662633039 414735353 /nfs/dbraw/zinc/73/53/53/414735353.db2.gz XIHPRUDVZHABQW-HOCLYGCPSA-N 3 2 296.459 0.376 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000662633039 414735354 /nfs/dbraw/zinc/73/53/54/414735354.db2.gz XIHPRUDVZHABQW-HOCLYGCPSA-N 3 2 296.459 0.376 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccnc(C[NH3+])c1 ZINC000662635909 414735763 /nfs/dbraw/zinc/73/57/63/414735763.db2.gz WTRZOJKCQDPVEP-UHFFFAOYSA-N 3 2 293.415 0.154 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccnc(C[NH3+])c1 ZINC000662635909 414735764 /nfs/dbraw/zinc/73/57/64/414735764.db2.gz WTRZOJKCQDPVEP-UHFFFAOYSA-N 3 2 293.415 0.154 20 0 CCADLP C[C@@H](C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)[C@H](C)[NH3+] ZINC000662636497 414736267 /nfs/dbraw/zinc/73/62/67/414736267.db2.gz YVCWRCIIXPFZGW-QCNOEVLYSA-N 2 2 257.378 0.195 20 0 CCADLP C[C@@H](C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)[C@H](C)[NH3+] ZINC000662636497 414736268 /nfs/dbraw/zinc/73/62/68/414736268.db2.gz YVCWRCIIXPFZGW-QCNOEVLYSA-N 2 2 257.378 0.195 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662654447 414737322 /nfs/dbraw/zinc/73/73/22/414737322.db2.gz CSPMMWCSHBTZJU-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH+]1CCN(C(=O)c2cc(C(C)(C)[NH3+])no2)CC1 ZINC000662659007 414738176 /nfs/dbraw/zinc/73/81/76/414738176.db2.gz HOEJYMWTVDXENF-UHFFFAOYSA-N 2 2 266.345 0.646 20 0 CCADLP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000662664132 414738645 /nfs/dbraw/zinc/73/86/45/414738645.db2.gz OMZNIBZACXSUBL-VXGBXAGGSA-N 2 2 274.324 0.314 20 0 CCADLP [NH3+][C@H]1C[C@H](C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000662670305 414739444 /nfs/dbraw/zinc/73/94/44/414739444.db2.gz DLNSAULHMATWOF-XYPYZODXSA-N 2 2 258.325 0.730 20 0 CCADLP [NH3+][C@H]1C[C@H](C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)C1 ZINC000662675620 414739675 /nfs/dbraw/zinc/73/96/75/414739675.db2.gz NJUWNZXSIWRIDW-JOCQHMNTSA-N 2 2 290.367 0.272 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662685722 414741192 /nfs/dbraw/zinc/74/11/92/414741192.db2.gz GXUVHCHSICLTGK-WDEREUQCSA-N 2 2 250.346 0.776 20 0 CCADLP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000662695326 414742400 /nfs/dbraw/zinc/74/24/00/414742400.db2.gz ZDBSDSKBPRLWDI-CABCVRRESA-N 2 2 289.379 0.482 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662702618 414743507 /nfs/dbraw/zinc/74/35/07/414743507.db2.gz ADFZUBSUPMLIBX-AWEZNQCLSA-N 2 2 297.443 0.945 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662703005 414743844 /nfs/dbraw/zinc/74/38/44/414743844.db2.gz GIJDMQVXQLOIBH-CHWSQXEVSA-N 2 2 283.416 0.541 20 0 CCADLP [NH3+]CCCC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662703988 414743860 /nfs/dbraw/zinc/74/38/60/414743860.db2.gz QPSNVBUHYNXTRD-UHFFFAOYSA-N 2 2 269.389 0.296 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662858551 414848133 /nfs/dbraw/zinc/84/81/33/414848133.db2.gz YIMQFKAOWUYFDF-UHFFFAOYSA-N 3 2 296.459 0.661 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662858551 414848136 /nfs/dbraw/zinc/84/81/36/414848136.db2.gz YIMQFKAOWUYFDF-UHFFFAOYSA-N 3 2 296.459 0.661 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)C1 ZINC000662859781 414851721 /nfs/dbraw/zinc/85/17/21/414851721.db2.gz ONYJLPCFYDDOMK-RQJABVFESA-N 2 2 283.416 0.600 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)C1 ZINC000662859781 414851724 /nfs/dbraw/zinc/85/17/24/414851724.db2.gz ONYJLPCFYDDOMK-RQJABVFESA-N 2 2 283.416 0.600 20 0 CCADLP C[C@@]1(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CCC[NH2+]C1 ZINC000662870346 414853860 /nfs/dbraw/zinc/85/38/60/414853860.db2.gz DZDIDJPYBQKWBF-DZGCQCFKSA-N 2 2 281.400 0.309 20 0 CCADLP CC[C@]1(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CCC[NH2+]1 ZINC000662870553 414855845 /nfs/dbraw/zinc/85/58/45/414855845.db2.gz HPXWLTLYYCSOBW-UKRRQHHQSA-N 2 2 281.400 0.452 20 0 CCADLP CC1(C)CC[NH2+][C@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662871383 414856150 /nfs/dbraw/zinc/85/61/50/414856150.db2.gz ZGSSSTBAWSXRHS-STQMWFEESA-N 2 2 281.400 0.308 20 0 CCADLP C[C@@H]([NH3+])CCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900690 414879668 /nfs/dbraw/zinc/87/96/68/414879668.db2.gz ODLSOZKBVHMFDA-UKRRQHHQSA-N 3 2 296.459 0.741 20 0 CCADLP C[C@@H]([NH3+])CCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900690 414879673 /nfs/dbraw/zinc/87/96/73/414879673.db2.gz ODLSOZKBVHMFDA-UKRRQHHQSA-N 3 2 296.459 0.741 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000662900631 414880201 /nfs/dbraw/zinc/88/02/01/414880201.db2.gz RWEPZPIBYYTGTH-QWRGUYRKSA-N 2 2 266.345 0.459 20 0 CCADLP CN(C(=O)[C@@H]1CCC[NH2+]1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899147 414880288 /nfs/dbraw/zinc/88/02/88/414880288.db2.gz BYBGQHJXFCALCO-GJZGRUSLSA-N 3 2 294.443 0.365 20 0 CCADLP CN(C(=O)[C@@H]1CCC[NH2+]1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899147 414880293 /nfs/dbraw/zinc/88/02/93/414880293.db2.gz BYBGQHJXFCALCO-GJZGRUSLSA-N 3 2 294.443 0.365 20 0 CCADLP CC1(C)C[NH2+][C@@H]1C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662910080 414884359 /nfs/dbraw/zinc/88/43/59/414884359.db2.gz KDARJYXPELFRJS-CQSZACIVSA-N 2 2 295.427 0.555 20 0 CCADLP C[C@H](NC(=O)[C@H]1CC12CC[NH2+]CC2)c1[nH+]ccn1C ZINC000662932435 414899618 /nfs/dbraw/zinc/89/96/18/414899618.db2.gz ATKLAODPYHLRDT-WDEREUQCSA-N 2 2 262.357 0.987 20 0 CCADLP C[C@@H](NC(=O)[C@H]1[NH2+]CCC1(C)C)c1[nH+]ccn1C ZINC000662932711 414902784 /nfs/dbraw/zinc/90/27/84/414902784.db2.gz CYKMCPVZNVZAJX-NXEZZACHSA-N 2 2 250.346 0.985 20 0 CCADLP COCCCn1nccc1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663499184 415080567 /nfs/dbraw/zinc/08/05/67/415080567.db2.gz BTDBNAGSLNLUGY-UHFFFAOYSA-N 2 2 264.373 0.761 20 0 CCADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(N(C)CCOC)nc1 ZINC000663513786 415082183 /nfs/dbraw/zinc/08/21/83/415082183.db2.gz MMUKGTWOLOVFOX-LBPRGKRZSA-N 2 2 266.389 0.862 20 0 CCADLP CCc1cc(NCc2nc(C[NH3+])cc(=O)[nH]2)nc(C)[nH+]1 ZINC000663277238 415033501 /nfs/dbraw/zinc/03/35/01/415033501.db2.gz LURDOFQCACPSJJ-UHFFFAOYSA-N 2 2 274.328 0.914 20 0 CCADLP C[C@H](CCNC(=O)N[C@@H](C)C[NH+]1CCOCC1)[NH+](C)C ZINC000663640018 415100858 /nfs/dbraw/zinc/10/08/58/415100858.db2.gz ZTPOJFFHDHDEAI-QWHCGFSZSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@H](CCNC(=O)NCC[N@@H+]1CCOC[C@H]1C)[NH+](C)C ZINC000663989578 415197206 /nfs/dbraw/zinc/19/72/06/415197206.db2.gz AFWLNSPSDILPFI-CHWSQXEVSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@H](CCNC(=O)NCC[N@H+]1CCOC[C@H]1C)[NH+](C)C ZINC000663989578 415197210 /nfs/dbraw/zinc/19/72/10/415197210.db2.gz AFWLNSPSDILPFI-CHWSQXEVSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)NCC[NH+](C)C2CC2)[C@H](C)CO1 ZINC000664094517 415243450 /nfs/dbraw/zinc/24/34/50/415243450.db2.gz MQXZHAGLHNTFRU-CHWSQXEVSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC[NH+](C)C2CC2)[C@H](C)CO1 ZINC000664094517 415243454 /nfs/dbraw/zinc/24/34/54/415243454.db2.gz MQXZHAGLHNTFRU-CHWSQXEVSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)NCC[N@H+](C)C2CC2)[C@H](C)CO1 ZINC000664094517 415243463 /nfs/dbraw/zinc/24/34/63/415243463.db2.gz MQXZHAGLHNTFRU-CHWSQXEVSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)NCC[N@@H+](C)C2CC2)[C@H](C)CO1 ZINC000664094517 415243468 /nfs/dbraw/zinc/24/34/68/415243468.db2.gz MQXZHAGLHNTFRU-CHWSQXEVSA-N 2 2 298.431 0.489 20 0 CCADLP Cn1cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cn1 ZINC000664578852 415424328 /nfs/dbraw/zinc/42/43/28/415424328.db2.gz TZAJJPAMNNNCFV-UHFFFAOYSA-N 2 2 282.392 0.425 20 0 CCADLP Cn1cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000664578852 415424333 /nfs/dbraw/zinc/42/43/33/415424333.db2.gz TZAJJPAMNNNCFV-UHFFFAOYSA-N 2 2 282.392 0.425 20 0 CCADLP C[C@@H](CCNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)[NH+](C)C ZINC000664927081 415488308 /nfs/dbraw/zinc/48/83/08/415488308.db2.gz PGVLOUHXTQPRRX-WDEREUQCSA-N 2 2 279.388 0.906 20 0 CCADLP C[C@@H](CCNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)[NH+](C)C ZINC000664927081 415488315 /nfs/dbraw/zinc/48/83/15/415488315.db2.gz PGVLOUHXTQPRRX-WDEREUQCSA-N 2 2 279.388 0.906 20 0 CCADLP C[C@H]1C[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)CO1 ZINC000665212548 415563478 /nfs/dbraw/zinc/56/34/78/415563478.db2.gz AIGNVICKITUGMW-STQMWFEESA-N 2 2 286.420 0.347 20 0 CCADLP C[C@H]1C[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CO1 ZINC000665212548 415563485 /nfs/dbraw/zinc/56/34/85/415563485.db2.gz AIGNVICKITUGMW-STQMWFEESA-N 2 2 286.420 0.347 20 0 CCADLP C[C@@H]([NH2+]Cc1nnnn1-c1ccccc1)C1C[NH2+]C1 ZINC000665237525 415572696 /nfs/dbraw/zinc/57/26/96/415572696.db2.gz CPANYXPOXSDBFL-SNVBAGLBSA-N 2 2 258.329 0.360 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1nnnn1-c1ccccc1 ZINC000665236204 415572937 /nfs/dbraw/zinc/57/29/37/415572937.db2.gz JFEBMKRENCVKMK-WDEREUQCSA-N 2 2 260.345 0.878 20 0 CCADLP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1nnnn1-c1ccccc1 ZINC000665238487 415573161 /nfs/dbraw/zinc/57/31/61/415573161.db2.gz ZITHNIUXCCEGIL-YPMHNXCESA-N 2 2 272.356 0.879 20 0 CCADLP C[NH+](C)C1(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000665379782 415624761 /nfs/dbraw/zinc/62/47/61/415624761.db2.gz ZGAAODDPYBJEOB-ZDUSSCGKSA-N 2 2 281.400 0.404 20 0 CCADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000665275454 415583928 /nfs/dbraw/zinc/58/39/28/415583928.db2.gz LAWBSPKVNJASTL-GZBFAFLISA-N 3 2 267.417 0.827 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000665275809 415586338 /nfs/dbraw/zinc/58/63/38/415586338.db2.gz RWUBNNQEUFRDHV-OBJOEFQTSA-N 3 2 255.406 0.955 20 0 CCADLP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292130 415591681 /nfs/dbraw/zinc/59/16/81/415591681.db2.gz UANJHXPXACAZFQ-JOYOIKCWSA-N 2 2 277.372 0.213 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)[C@H]2CCC[C@H]21 ZINC000665292653 415592054 /nfs/dbraw/zinc/59/20/54/415592054.db2.gz GRGSHGPFVCZQQA-FRRDWIJNSA-N 3 2 291.399 0.603 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)[C@H]2CCC[C@H]21 ZINC000665292653 415592059 /nfs/dbraw/zinc/59/20/59/415592059.db2.gz GRGSHGPFVCZQQA-FRRDWIJNSA-N 3 2 291.399 0.603 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(F)cc2)C1 ZINC000071147238 176043384 /nfs/dbraw/zinc/04/33/84/176043384.db2.gz QGRWYGPUFYTOQK-ZDUSSCGKSA-N 2 2 279.359 0.983 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(F)cc2)C1 ZINC000071147238 176043386 /nfs/dbraw/zinc/04/33/86/176043386.db2.gz QGRWYGPUFYTOQK-ZDUSSCGKSA-N 2 2 279.359 0.983 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000353466481 287318733 /nfs/dbraw/zinc/31/87/33/287318733.db2.gz HDZZIBCIEQBIJP-XUXIUFHCSA-N 2 2 283.416 0.600 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CC([C@H]2CCOC2)C1)C1CC1 ZINC000685911335 545867496 /nfs/dbraw/zinc/86/74/96/545867496.db2.gz DRHWVYUJROTIKB-SMDDNHRTSA-N 2 2 254.374 0.410 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CC([C@H]2CCOC2)C1)C1CC1 ZINC000685911335 545867500 /nfs/dbraw/zinc/86/75/00/545867500.db2.gz DRHWVYUJROTIKB-SMDDNHRTSA-N 2 2 254.374 0.410 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000521366099 260088188 /nfs/dbraw/zinc/08/81/88/260088188.db2.gz GJRWBNPHUGJMRE-LBPRGKRZSA-N 2 2 290.371 0.460 20 0 CCADLP CCn1c[nH+]cc1CN1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000418077519 228012138 /nfs/dbraw/zinc/01/21/38/228012138.db2.gz UEDKDLYNPVLJIT-BETUJISGSA-N 2 2 266.389 0.790 20 0 CCADLP CCn1c[nH+]cc1CN1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000418077519 228012139 /nfs/dbraw/zinc/01/21/39/228012139.db2.gz UEDKDLYNPVLJIT-BETUJISGSA-N 2 2 266.389 0.790 20 0 CCADLP C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)[C@H]1C[NH3+] ZINC000070176417 544450511 /nfs/dbraw/zinc/45/05/11/544450511.db2.gz OGXAVJKNCAOLMG-RYUDHWBXSA-N 2 2 250.346 0.859 20 0 CCADLP O=C1CC[C@@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)N1 ZINC000079928220 544478158 /nfs/dbraw/zinc/47/81/58/544478158.db2.gz WVTHPTJTWPQYSW-ZDUSSCGKSA-N 2 2 274.368 0.919 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000080530449 544478870 /nfs/dbraw/zinc/47/88/70/544478870.db2.gz YQDZRYMTQVBQQF-LBPRGKRZSA-N 2 2 258.325 0.938 20 0 CCADLP Cn1cc[nH+]c1[C@H](NC(=O)COCC[NH3+])c1ccccc1 ZINC000093232023 544540411 /nfs/dbraw/zinc/54/04/11/544540411.db2.gz ZJVJKSBBNYEHMR-CQSZACIVSA-N 2 2 288.351 0.601 20 0 CCADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000088539375 544508276 /nfs/dbraw/zinc/50/82/76/544508276.db2.gz XMFIDLMRYQSQLQ-VIFPVBQESA-N 2 2 275.374 0.357 20 0 CCADLP Cc1csc(C[N@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000094970033 544548207 /nfs/dbraw/zinc/54/82/07/544548207.db2.gz FQPJYIAPFZNQGY-UHFFFAOYSA-N 2 2 254.403 0.789 20 0 CCADLP Cc1csc(C[N@@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000094970033 544548213 /nfs/dbraw/zinc/54/82/13/544548213.db2.gz FQPJYIAPFZNQGY-UHFFFAOYSA-N 2 2 254.403 0.789 20 0 CCADLP CC(C)(CNC(=O)C[C@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000089746468 544516746 /nfs/dbraw/zinc/51/67/46/544516746.db2.gz PTOCFBUFSXCFCV-GFCCVEGCSA-N 2 2 269.389 0.213 20 0 CCADLP O=C(NCC[NH+]1CCOCC1)c1cccc2c1CC[NH2+]C2 ZINC000124097796 544587669 /nfs/dbraw/zinc/58/76/69/544587669.db2.gz XYAWMYXNTRTGRA-UHFFFAOYSA-N 2 2 289.379 0.394 20 0 CCADLP C[C@H](NC(=O)C[NH+]1CCC(C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000134976299 544632302 /nfs/dbraw/zinc/63/23/02/544632302.db2.gz CRNXRSGUDYGGNC-KBPBESRZSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H](NC(=O)C[NH+]1CCC(C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000134976299 544632306 /nfs/dbraw/zinc/63/23/06/544632306.db2.gz CRNXRSGUDYGGNC-KBPBESRZSA-N 2 2 283.416 0.554 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000147511378 544646870 /nfs/dbraw/zinc/64/68/70/544646870.db2.gz MVHUWTAPXFQBBO-DCAQKATOSA-N 2 2 270.377 0.280 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000147511378 544646873 /nfs/dbraw/zinc/64/68/73/544646873.db2.gz MVHUWTAPXFQBBO-DCAQKATOSA-N 2 2 270.377 0.280 20 0 CCADLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cccc(-n2cnnn2)c1 ZINC000154239752 544668809 /nfs/dbraw/zinc/66/88/09/544668809.db2.gz BTYBUEGZWBSEGW-RISCZKNCSA-N 2 2 290.371 0.235 20 0 CCADLP O=C(NCCC[NH+]1CCOCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000141086641 544644524 /nfs/dbraw/zinc/64/45/24/544644524.db2.gz GAIMPPQAQAPKFL-VXGBXAGGSA-N 2 2 278.356 0.352 20 0 CCADLP O=C(NCCC[NH+]1CCOCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000141086641 544644528 /nfs/dbraw/zinc/64/45/28/544644528.db2.gz GAIMPPQAQAPKFL-VXGBXAGGSA-N 2 2 278.356 0.352 20 0 CCADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)CCc1c[nH+]c[nH]1 ZINC000193169084 544805096 /nfs/dbraw/zinc/80/50/96/544805096.db2.gz WSXCCTZTFNMSHY-CQSZACIVSA-N 2 2 294.399 0.912 20 0 CCADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)CCc1c[nH]c[nH+]1 ZINC000193169084 544805104 /nfs/dbraw/zinc/80/51/04/544805104.db2.gz WSXCCTZTFNMSHY-CQSZACIVSA-N 2 2 294.399 0.912 20 0 CCADLP O=C(C[NH2+]C[C@H](O)C[NH+]1CCCC1)N1CCCCC1 ZINC000228815104 544846155 /nfs/dbraw/zinc/84/61/55/544846155.db2.gz OSKZEAMRFMAAFB-ZDUSSCGKSA-N 2 2 269.389 0.045 20 0 CCADLP Cc1nc(NCCC[NH+]2CCC(O)CC2)nc(N(C)C)[nH+]1 ZINC000488425578 420308886 /nfs/dbraw/zinc/30/88/86/420308886.db2.gz GHYMZEUEDIBFBJ-UHFFFAOYSA-N 2 2 294.403 0.505 20 0 CCADLP CC(C)NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250741636 544924291 /nfs/dbraw/zinc/92/42/91/544924291.db2.gz LNGAFCSHJATWFF-CHWSQXEVSA-N 2 2 253.390 0.975 20 0 CCADLP CC(C)NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250741636 544924296 /nfs/dbraw/zinc/92/42/96/544924296.db2.gz LNGAFCSHJATWFF-CHWSQXEVSA-N 2 2 253.390 0.975 20 0 CCADLP C[NH+](C)[C@]1(CNC(=O)CCc2c[nH+]c[nH]2)CCSC1 ZINC000279991303 544957992 /nfs/dbraw/zinc/95/79/92/544957992.db2.gz RLNYSCSSIIZDPP-ZDUSSCGKSA-N 2 2 282.413 0.896 20 0 CCADLP C[NH+](C)[C@]1(CNC(=O)CCc2c[nH]c[nH+]2)CCSC1 ZINC000279991303 544957998 /nfs/dbraw/zinc/95/79/98/544957998.db2.gz RLNYSCSSIIZDPP-ZDUSSCGKSA-N 2 2 282.413 0.896 20 0 CCADLP C[C@@H]1C[N@H+](Cc2cncnc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000354018724 545072249 /nfs/dbraw/zinc/07/22/49/545072249.db2.gz RTDVBSLBMIOHON-ZBFHGGJFSA-N 2 2 289.427 0.934 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2cncnc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000354018724 545072250 /nfs/dbraw/zinc/07/22/50/545072250.db2.gz RTDVBSLBMIOHON-ZBFHGGJFSA-N 2 2 289.427 0.934 20 0 CCADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC000335721567 545049416 /nfs/dbraw/zinc/04/94/16/545049416.db2.gz XRXQTRBEXJTPOJ-QWRGUYRKSA-N 2 2 250.346 0.893 20 0 CCADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC000335721567 545049418 /nfs/dbraw/zinc/04/94/18/545049418.db2.gz XRXQTRBEXJTPOJ-QWRGUYRKSA-N 2 2 250.346 0.893 20 0 CCADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC000335721567 545049419 /nfs/dbraw/zinc/04/94/19/545049419.db2.gz XRXQTRBEXJTPOJ-QWRGUYRKSA-N 2 2 250.346 0.893 20 0 CCADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC000335721567 545049420 /nfs/dbraw/zinc/04/94/20/545049420.db2.gz XRXQTRBEXJTPOJ-QWRGUYRKSA-N 2 2 250.346 0.893 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000336585234 545050912 /nfs/dbraw/zinc/05/09/12/545050912.db2.gz VZSCTXFTELOPCP-BXUZGUMPSA-N 2 2 251.374 0.729 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000336585234 545050914 /nfs/dbraw/zinc/05/09/14/545050914.db2.gz VZSCTXFTELOPCP-BXUZGUMPSA-N 2 2 251.374 0.729 20 0 CCADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCOC1 ZINC000337211408 545051500 /nfs/dbraw/zinc/05/15/00/545051500.db2.gz AMXCRPVCPZFJHU-XLWJZTARSA-N 2 2 286.416 0.471 20 0 CCADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCOC1 ZINC000337211408 545051501 /nfs/dbraw/zinc/05/15/01/545051501.db2.gz AMXCRPVCPZFJHU-XLWJZTARSA-N 2 2 286.416 0.471 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCCC[C@@H]2CCO)CC1 ZINC000342038785 545056151 /nfs/dbraw/zinc/05/61/51/545056151.db2.gz VHEPQRKYLLPOBL-CQSZACIVSA-N 2 2 283.416 0.387 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCCC[C@@H]2CCO)CC1 ZINC000342038785 545056153 /nfs/dbraw/zinc/05/61/53/545056153.db2.gz VHEPQRKYLLPOBL-CQSZACIVSA-N 2 2 283.416 0.387 20 0 CCADLP CC(C)C[NH+]1CCN(CC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000191377373 262191602 /nfs/dbraw/zinc/19/16/02/262191602.db2.gz RIUJJVRCLZDQAS-OAHLLOKOSA-N 2 2 269.433 0.981 20 0 CCADLP CC(C)C[NH+]1CCN(CC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000191377373 262191603 /nfs/dbraw/zinc/19/16/03/262191603.db2.gz RIUJJVRCLZDQAS-OAHLLOKOSA-N 2 2 269.433 0.981 20 0 CCADLP CCCCCOCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000519152241 265339488 /nfs/dbraw/zinc/33/94/88/265339488.db2.gz IBDOVAGELHCNMM-LBPRGKRZSA-N 2 2 257.378 0.295 20 0 CCADLP CCCCCOCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000519152241 265339490 /nfs/dbraw/zinc/33/94/90/265339490.db2.gz IBDOVAGELHCNMM-LBPRGKRZSA-N 2 2 257.378 0.295 20 0 CCADLP CN(C)c1nc(N2CC[NH+]([C@H]3CCOC3)CC2)cc[nH+]1 ZINC000336825159 273825537 /nfs/dbraw/zinc/82/55/37/273825537.db2.gz XHXVHKVGCFHORN-LBPRGKRZSA-N 2 2 277.372 0.454 20 0 CCADLP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)CO2 ZINC000423507176 274125531 /nfs/dbraw/zinc/12/55/31/274125531.db2.gz HTEGPKRAGKVJHB-ZIAGYGMSSA-N 2 2 291.395 0.492 20 0 CCADLP CCN1C(=O)[C@H]2C[N@H+](CCCn3cc[nH+]c3)CCN2C1=O ZINC000367586167 276147805 /nfs/dbraw/zinc/14/78/05/276147805.db2.gz FRVIGLMUHLYANH-GFCCVEGCSA-N 2 2 291.355 0.242 20 0 CCADLP CCN1C(=O)[C@H]2C[N@@H+](CCCn3cc[nH+]c3)CCN2C1=O ZINC000367586167 276147806 /nfs/dbraw/zinc/14/78/06/276147806.db2.gz FRVIGLMUHLYANH-GFCCVEGCSA-N 2 2 291.355 0.242 20 0 CCADLP CC[N@@H+]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000335967270 276163105 /nfs/dbraw/zinc/16/31/05/276163105.db2.gz ZVBBPVGMKCMQPU-CYBMUJFWSA-N 2 2 276.384 1.000 20 0 CCADLP CC[N@H+]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000335967270 276163106 /nfs/dbraw/zinc/16/31/06/276163106.db2.gz ZVBBPVGMKCMQPU-CYBMUJFWSA-N 2 2 276.384 1.000 20 0 CCADLP CCO[C@H]1C[C@]([NH3+])(C(=O)N2CCn3cc[nH+]c3C2)C1(C)C ZINC000157226614 276366997 /nfs/dbraw/zinc/36/69/97/276366997.db2.gz SKUKXABJBRQMAP-NHYWBVRUSA-N 2 2 292.383 0.758 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000335475911 276381965 /nfs/dbraw/zinc/38/19/65/276381965.db2.gz DWPPPSHOECKYDB-CYBMUJFWSA-N 2 2 251.374 0.777 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000335475911 276381968 /nfs/dbraw/zinc/38/19/68/276381968.db2.gz DWPPPSHOECKYDB-CYBMUJFWSA-N 2 2 251.374 0.777 20 0 CCADLP C[NH+](C)C[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CCO1 ZINC000492812999 276803892 /nfs/dbraw/zinc/80/38/92/276803892.db2.gz OGZGCURIGJEKOC-MVZIDQBPSA-N 2 2 264.329 0.212 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCCOC(C)(C)C1)C1CC1 ZINC000381592903 545084526 /nfs/dbraw/zinc/08/45/26/545084526.db2.gz HTXIBNQWFHTWJF-ZDUSSCGKSA-N 2 2 256.390 0.942 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCCOC(C)(C)C1)C1CC1 ZINC000381592903 545084527 /nfs/dbraw/zinc/08/45/27/545084527.db2.gz HTXIBNQWFHTWJF-ZDUSSCGKSA-N 2 2 256.390 0.942 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCCOC(C)(C)C1)C1CC1 ZINC000381592903 545084528 /nfs/dbraw/zinc/08/45/28/545084528.db2.gz HTXIBNQWFHTWJF-ZDUSSCGKSA-N 2 2 256.390 0.942 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCCOC(C)(C)C1)C1CC1 ZINC000381592903 545084529 /nfs/dbraw/zinc/08/45/29/545084529.db2.gz HTXIBNQWFHTWJF-ZDUSSCGKSA-N 2 2 256.390 0.942 20 0 CCADLP CC(=O)N[C@H]1CCCN(C(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C)C1 ZINC000430567943 277056983 /nfs/dbraw/zinc/05/69/83/277056983.db2.gz BPERPYOGVDJICS-ZFWWWQNUSA-N 2 2 298.431 0.077 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN2C(=O)NC[C@H]2C1 ZINC000245644544 277060664 /nfs/dbraw/zinc/06/06/64/277060664.db2.gz SXPLPKMQBHIQQO-NEPJUHHUSA-N 2 2 252.362 0.180 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN2C(=O)NC[C@H]2C1 ZINC000245644544 277060665 /nfs/dbraw/zinc/06/06/65/277060665.db2.gz SXPLPKMQBHIQQO-NEPJUHHUSA-N 2 2 252.362 0.180 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000245644544 277060666 /nfs/dbraw/zinc/06/06/66/277060666.db2.gz SXPLPKMQBHIQQO-NEPJUHHUSA-N 2 2 252.362 0.180 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000245644544 277060667 /nfs/dbraw/zinc/06/06/67/277060667.db2.gz SXPLPKMQBHIQQO-NEPJUHHUSA-N 2 2 252.362 0.180 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C1Cc2ccccc2C1 ZINC000068800941 277102921 /nfs/dbraw/zinc/10/29/21/277102921.db2.gz CZGHINIOQRJYIA-MRXNPFEDSA-N 2 2 259.397 0.989 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C1Cc2ccccc2C1 ZINC000068800941 277102922 /nfs/dbraw/zinc/10/29/22/277102922.db2.gz CZGHINIOQRJYIA-MRXNPFEDSA-N 2 2 259.397 0.989 20 0 CCADLP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000423753181 277248992 /nfs/dbraw/zinc/24/89/92/277248992.db2.gz GOBJSWHDHWRPSG-VXGBXAGGSA-N 2 2 269.389 0.339 20 0 CCADLP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000423753181 277248995 /nfs/dbraw/zinc/24/89/95/277248995.db2.gz GOBJSWHDHWRPSG-VXGBXAGGSA-N 2 2 269.389 0.339 20 0 CCADLP CS[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1[NH+](C)C ZINC000284305789 278163551 /nfs/dbraw/zinc/16/35/51/278163551.db2.gz GYRTXVIJJMQLJQ-RVAOTSRCSA-N 2 2 280.397 0.927 20 0 CCADLP CS[C@H]1CN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@H]1[NH+](C)C ZINC000343625790 278167056 /nfs/dbraw/zinc/16/70/56/278167056.db2.gz LFVWACUVHSCYAI-BARDWOONSA-N 2 2 299.484 0.827 20 0 CCADLP CS[C@H]1CN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@H]1[NH+](C)C ZINC000343625790 278167058 /nfs/dbraw/zinc/16/70/58/278167058.db2.gz LFVWACUVHSCYAI-BARDWOONSA-N 2 2 299.484 0.827 20 0 CCADLP C[C@@H](CC(=O)N(C)C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000367998530 278220573 /nfs/dbraw/zinc/22/05/73/278220573.db2.gz UFGGYTMXRFPCIK-VHSXEESVSA-N 2 2 250.346 0.723 20 0 CCADLP C[C@@H](CC(=O)N(C)C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000367998530 278220575 /nfs/dbraw/zinc/22/05/75/278220575.db2.gz UFGGYTMXRFPCIK-VHSXEESVSA-N 2 2 250.346 0.723 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1nccn1C ZINC000341704034 278258284 /nfs/dbraw/zinc/25/82/84/278258284.db2.gz ZQJWBMCZYNRRRV-RYUDHWBXSA-N 2 2 279.388 0.411 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1nccn1C ZINC000341704034 278258286 /nfs/dbraw/zinc/25/82/86/278258286.db2.gz ZQJWBMCZYNRRRV-RYUDHWBXSA-N 2 2 279.388 0.411 20 0 CCADLP C[C@H](O)CN(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371408681 278287719 /nfs/dbraw/zinc/28/77/19/278287719.db2.gz IKTOYICWKRSOJX-QWHCGFSZSA-N 2 2 298.431 0.177 20 0 CCADLP C[C@H](O)CN(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371408681 278287720 /nfs/dbraw/zinc/28/77/20/278287720.db2.gz IKTOYICWKRSOJX-QWHCGFSZSA-N 2 2 298.431 0.177 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000422921989 278565584 /nfs/dbraw/zinc/56/55/84/278565584.db2.gz ROHRKZCVESFWER-WOPDTQHZSA-N 2 2 253.390 0.973 20 0 CCADLP CC(C)(CNC(=O)CC1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000040805297 278613443 /nfs/dbraw/zinc/61/34/43/278613443.db2.gz PTSLXDFNBKRARF-UHFFFAOYSA-N 2 2 283.416 0.603 20 0 CCADLP CCC[C@H]([NH3+])C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000353666936 278937261 /nfs/dbraw/zinc/93/72/61/278937261.db2.gz DRQNBLPQKFJCQH-NSHDSACASA-N 2 2 265.361 0.181 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414974625 278996068 /nfs/dbraw/zinc/99/60/68/278996068.db2.gz NTUGGDKNEJZRTJ-NEPJUHHUSA-N 3 2 296.381 0.786 20 0 CCADLP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000341616794 279071754 /nfs/dbraw/zinc/07/17/54/279071754.db2.gz QZAZPZXIQDSMPC-KBPBESRZSA-N 2 2 284.448 0.469 20 0 CCADLP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000341616794 279071755 /nfs/dbraw/zinc/07/17/55/279071755.db2.gz QZAZPZXIQDSMPC-KBPBESRZSA-N 2 2 284.448 0.469 20 0 CCADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000366111118 279094655 /nfs/dbraw/zinc/09/46/55/279094655.db2.gz XLPIBGLYOBWEKH-AWEZNQCLSA-N 2 2 282.388 0.392 20 0 CCADLP CC[NH+](CC)CCC[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000366111118 279094657 /nfs/dbraw/zinc/09/46/57/279094657.db2.gz XLPIBGLYOBWEKH-AWEZNQCLSA-N 2 2 282.388 0.392 20 0 CCADLP CC(C)C[C@H]([NH3+])C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414974631 279180660 /nfs/dbraw/zinc/18/06/60/279180660.db2.gz NTUGGDKNEJZRTJ-RYUDHWBXSA-N 3 2 296.381 0.786 20 0 CCADLP CCN(Cc1ccccc1)C(=O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000309813525 279238049 /nfs/dbraw/zinc/23/80/49/279238049.db2.gz XFMVRIGTTNIYNU-AWEZNQCLSA-N 2 2 279.384 0.287 20 0 CCADLP CCN(Cc1ccccc1)C(=O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000309813525 279238052 /nfs/dbraw/zinc/23/80/52/279238052.db2.gz XFMVRIGTTNIYNU-AWEZNQCLSA-N 2 2 279.384 0.287 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263002489 288121659 /nfs/dbraw/zinc/12/16/59/288121659.db2.gz OXJMWHMMTRATIZ-MIMYLULJSA-N 2 2 273.327 0.583 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263002489 288121660 /nfs/dbraw/zinc/12/16/60/288121660.db2.gz OXJMWHMMTRATIZ-MIMYLULJSA-N 2 2 273.327 0.583 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000422878389 279370142 /nfs/dbraw/zinc/37/01/42/279370142.db2.gz STWYLAQAXJCBKH-BHPKHCPMSA-N 2 2 267.417 0.826 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCCC(=O)NC(N)=O)C1 ZINC000365632383 279379396 /nfs/dbraw/zinc/37/93/96/279379396.db2.gz SPTTXAHMHWJSDF-NSHDSACASA-N 2 2 293.371 0.575 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCCC(=O)NC(N)=O)C1 ZINC000365632383 279379397 /nfs/dbraw/zinc/37/93/97/279379397.db2.gz SPTTXAHMHWJSDF-NSHDSACASA-N 2 2 293.371 0.575 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000458214386 279381692 /nfs/dbraw/zinc/38/16/92/279381692.db2.gz MPUPSHYKRCZWSW-KGLIPLIRSA-N 2 2 283.416 0.555 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000458214386 279381695 /nfs/dbraw/zinc/38/16/95/279381695.db2.gz MPUPSHYKRCZWSW-KGLIPLIRSA-N 2 2 283.416 0.555 20 0 CCADLP CC[NH+]1CCOC[C@H]1C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000458214386 279381696 /nfs/dbraw/zinc/38/16/96/279381696.db2.gz MPUPSHYKRCZWSW-KGLIPLIRSA-N 2 2 283.416 0.555 20 0 CCADLP CC[NH+]1CCOC[C@H]1C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000458214386 279381699 /nfs/dbraw/zinc/38/16/99/279381699.db2.gz MPUPSHYKRCZWSW-KGLIPLIRSA-N 2 2 283.416 0.555 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000353426970 280069657 /nfs/dbraw/zinc/06/96/57/280069657.db2.gz KSGRDCWSCQFNGQ-RDBSUJKOSA-N 2 2 283.416 0.457 20 0 CCADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420349361 280243959 /nfs/dbraw/zinc/24/39/59/280243959.db2.gz CQGZEDROJYDGTF-YNEHKIRRSA-N 2 2 271.405 0.417 20 0 CCADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420349361 280243961 /nfs/dbraw/zinc/24/39/61/280243961.db2.gz CQGZEDROJYDGTF-YNEHKIRRSA-N 2 2 271.405 0.417 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000423866155 280782026 /nfs/dbraw/zinc/78/20/26/280782026.db2.gz LCOYEDPMOGTIJC-XQQFMLRXSA-N 2 2 293.415 0.609 20 0 CCADLP CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)C1=O ZINC000333629959 281394605 /nfs/dbraw/zinc/39/46/05/281394605.db2.gz GKYQJIKGNJFISW-OAHLLOKOSA-N 2 2 294.399 0.392 20 0 CCADLP CC1(C)NC(=O)N(CC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)C1=O ZINC000333629959 281394606 /nfs/dbraw/zinc/39/46/06/281394606.db2.gz GKYQJIKGNJFISW-OAHLLOKOSA-N 2 2 294.399 0.392 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000580541256 335251815 /nfs/dbraw/zinc/25/18/15/335251815.db2.gz UMKNBAXWIQRMNS-UPJWGTAASA-N 2 2 289.445 0.388 20 0 CCADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000346182851 289043413 /nfs/dbraw/zinc/04/34/13/289043413.db2.gz JQHFOTBMOMZSHP-MGPQQGTHSA-N 2 2 281.400 0.402 20 0 CCADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000346182851 289043414 /nfs/dbraw/zinc/04/34/14/289043414.db2.gz JQHFOTBMOMZSHP-MGPQQGTHSA-N 2 2 281.400 0.402 20 0 CCADLP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420356991 289371286 /nfs/dbraw/zinc/37/12/86/289371286.db2.gz RMYLNDLNVFLZKM-LPWJVIDDSA-N 2 2 271.405 0.321 20 0 CCADLP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420356991 289371289 /nfs/dbraw/zinc/37/12/89/289371289.db2.gz RMYLNDLNVFLZKM-LPWJVIDDSA-N 2 2 271.405 0.321 20 0 CCADLP Cc1nnsc1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000383670019 545085075 /nfs/dbraw/zinc/08/50/75/545085075.db2.gz LNHYDGRWMQJAIW-UHFFFAOYSA-N 2 2 255.391 0.184 20 0 CCADLP Cc1nnsc1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000383670019 545085076 /nfs/dbraw/zinc/08/50/76/545085076.db2.gz LNHYDGRWMQJAIW-UHFFFAOYSA-N 2 2 255.391 0.184 20 0 CCADLP Cn1cc(N2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)cn1 ZINC000262007966 294250373 /nfs/dbraw/zinc/25/03/73/294250373.db2.gz MAKMKRARYFSNSQ-AWEZNQCLSA-N 2 2 263.389 0.542 20 0 CCADLP Cn1cc([C@@H](CO)[NH2+]CC[C@H]2CCCC[N@@H+]2C)cn1 ZINC000494809914 294273080 /nfs/dbraw/zinc/27/30/80/294273080.db2.gz PYQPRMUJEATUKW-ZIAGYGMSSA-N 2 2 266.389 0.918 20 0 CCADLP Cn1cc([C@@H](CO)[NH2+]CC[C@H]2CCCC[N@H+]2C)cn1 ZINC000494809914 294273085 /nfs/dbraw/zinc/27/30/85/294273085.db2.gz PYQPRMUJEATUKW-ZIAGYGMSSA-N 2 2 266.389 0.918 20 0 CCADLP CCO[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000385801528 545085652 /nfs/dbraw/zinc/08/56/52/545085652.db2.gz HKMYTTPZKRVCGR-ZIAGYGMSSA-N 2 2 256.390 0.942 20 0 CCADLP CCO[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000385801528 545085653 /nfs/dbraw/zinc/08/56/53/545085653.db2.gz HKMYTTPZKRVCGR-ZIAGYGMSSA-N 2 2 256.390 0.942 20 0 CCADLP CCO[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000385801528 545085654 /nfs/dbraw/zinc/08/56/54/545085654.db2.gz HKMYTTPZKRVCGR-ZIAGYGMSSA-N 2 2 256.390 0.942 20 0 CCADLP CCO[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000385801528 545085655 /nfs/dbraw/zinc/08/56/55/545085655.db2.gz HKMYTTPZKRVCGR-ZIAGYGMSSA-N 2 2 256.390 0.942 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422884933 295111299 /nfs/dbraw/zinc/11/12/99/295111299.db2.gz GAPSBAWIBGCEET-MJBXVCDLSA-N 3 2 282.432 0.576 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422884933 295111300 /nfs/dbraw/zinc/11/13/00/295111300.db2.gz GAPSBAWIBGCEET-MJBXVCDLSA-N 3 2 282.432 0.576 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCN1CC[C@H]2OCC[NH+](C)[C@@H]2C1 ZINC000342169329 297125830 /nfs/dbraw/zinc/12/58/30/297125830.db2.gz KTCNRXIYBYZKSC-RBSFLKMASA-N 2 2 283.416 0.112 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000342788344 297261889 /nfs/dbraw/zinc/26/18/89/297261889.db2.gz YZNNZOVHTRWBRD-MCIONIFRSA-N 2 2 281.400 0.402 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000342766700 297543287 /nfs/dbraw/zinc/54/32/87/297543287.db2.gz WMRUDSCHVTVFEW-SOUVJXGZSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H](CC(=O)NC[C@@]1(O)CC[N@H+](C)C1)n1cc[nH+]c1 ZINC000516574955 298302685 /nfs/dbraw/zinc/30/26/85/298302685.db2.gz WPVMYQRINRZMPX-YPMHNXCESA-N 2 2 266.345 0.017 20 0 CCADLP C[C@H](CC(=O)NC[C@@]1(O)CC[N@@H+](C)C1)n1cc[nH+]c1 ZINC000516574955 298302687 /nfs/dbraw/zinc/30/26/87/298302687.db2.gz WPVMYQRINRZMPX-YPMHNXCESA-N 2 2 266.345 0.017 20 0 CCADLP C[C@H](CC(N)=O)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000267213471 298351321 /nfs/dbraw/zinc/35/13/21/298351321.db2.gz HVDONERMACZMAU-CYBMUJFWSA-N 2 2 291.395 0.872 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)CC[NH3+] ZINC000423527357 528477876 /nfs/dbraw/zinc/47/78/76/528477876.db2.gz MKFVRRQEXWAMQU-NWDGAFQWSA-N 2 2 257.378 0.341 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)CC[NH3+] ZINC000423527357 528477882 /nfs/dbraw/zinc/47/78/82/528477882.db2.gz MKFVRRQEXWAMQU-NWDGAFQWSA-N 2 2 257.378 0.341 20 0 CCADLP COc1cc(C)[nH+]c(CN2CC[N@H+](CCO)[C@H](C)C2)c1 ZINC000426490660 533698571 /nfs/dbraw/zinc/69/85/71/533698571.db2.gz BZSJEXXJVAQALC-CYBMUJFWSA-N 2 2 279.384 0.897 20 0 CCADLP COc1cc(C)[nH+]c(CN2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000426490660 533698580 /nfs/dbraw/zinc/69/85/80/533698580.db2.gz BZSJEXXJVAQALC-CYBMUJFWSA-N 2 2 279.384 0.897 20 0 CCADLP C[C@H](O)CCC[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000584113585 327040717 /nfs/dbraw/zinc/04/07/17/327040717.db2.gz YIZZENCMCREIJA-DGAVXFQQSA-N 2 2 274.405 0.207 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC000574032402 327282602 /nfs/dbraw/zinc/28/26/02/327282602.db2.gz ADNZTKAGFVHNCO-KWCYVHTRSA-N 2 2 264.373 0.316 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC000574032402 327282603 /nfs/dbraw/zinc/28/26/03/327282603.db2.gz ADNZTKAGFVHNCO-KWCYVHTRSA-N 2 2 264.373 0.316 20 0 CCADLP COc1ccnc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000582959338 329289648 /nfs/dbraw/zinc/28/96/48/329289648.db2.gz QWZQCDMOSBJNOQ-RWMBFGLXSA-N 2 2 292.383 0.732 20 0 CCADLP COCC[NH2+]C1CC[NH+]([C@H]2CCN(C(C)C)C2=O)CC1 ZINC000582971358 329296472 /nfs/dbraw/zinc/29/64/72/329296472.db2.gz YJXINZFYBXOYFY-AWEZNQCLSA-N 2 2 283.416 0.696 20 0 CCADLP CC1(C)CCC[NH2+][C@H]1C[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000580421624 330129084 /nfs/dbraw/zinc/12/90/84/330129084.db2.gz MUXOEBKCOYHNRF-NEPJUHHUSA-N 2 2 274.430 0.931 20 0 CCADLP Cc1[nH+]cc2n1C[C@H](C(=O)NCc1c[nH+]cn1C)CC2 ZINC000580455678 330141808 /nfs/dbraw/zinc/14/18/08/330141808.db2.gz QMVDTCACHNARBX-LLVKDONJSA-N 2 2 273.340 0.804 20 0 CCADLP CC[C@@H](CSC)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000580532826 335107826 /nfs/dbraw/zinc/10/78/26/335107826.db2.gz IIBQCMAHGMSAMC-WDEREUQCSA-N 2 2 274.434 0.412 20 0 CCADLP CC[C@@H](CSC)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000580532826 335107827 /nfs/dbraw/zinc/10/78/27/335107827.db2.gz IIBQCMAHGMSAMC-WDEREUQCSA-N 2 2 274.434 0.412 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000575873112 335126911 /nfs/dbraw/zinc/12/69/11/335126911.db2.gz HIOBSZZTEIQGMK-OLZOCXBDSA-N 2 2 280.372 0.671 20 0 CCADLP CCC[NH2+]CCNC(=O)NCCCCn1cc[nH+]c1 ZINC000576133634 335158961 /nfs/dbraw/zinc/15/89/61/335158961.db2.gz ZBBVRIRSXNJWQX-UHFFFAOYSA-N 2 2 267.377 0.962 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(OC)CC1 ZINC000311144861 334013526 /nfs/dbraw/zinc/01/35/26/334013526.db2.gz LXAIBISNIHWANC-LBPRGKRZSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(OC)CC1 ZINC000311144861 334013527 /nfs/dbraw/zinc/01/35/27/334013527.db2.gz LXAIBISNIHWANC-LBPRGKRZSA-N 2 2 260.378 0.036 20 0 CCADLP COC(=O)C[C@H]([NH3+])C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000576342119 335191685 /nfs/dbraw/zinc/19/16/85/335191685.db2.gz FMYRKANEJUEBAM-NSHDSACASA-N 2 2 290.323 0.149 20 0 CCADLP CC1(NC(=O)c2ccc(-n3cc[nH+]c3)nn2)CC[NH2+]CC1 ZINC000576351353 335193114 /nfs/dbraw/zinc/19/31/14/335193114.db2.gz WKPNEPSKXZMAON-UHFFFAOYSA-N 2 2 286.339 0.534 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@@H](CO)CC(F)F)C1CC1 ZINC000576636801 335228839 /nfs/dbraw/zinc/22/88/39/335228839.db2.gz LGSNZJIPLLEJJM-PSASIEDQSA-N 2 2 252.305 0.047 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H](CO)CC(F)F)C1CC1 ZINC000576636801 335228840 /nfs/dbraw/zinc/22/88/40/335228840.db2.gz LGSNZJIPLLEJJM-PSASIEDQSA-N 2 2 252.305 0.047 20 0 CCADLP CN(C)c1[nH+]cc(C[NH+]2CCC3(CNC(=O)C3)CC2)n1C ZINC000580546050 335272371 /nfs/dbraw/zinc/27/23/71/335272371.db2.gz MALVLXGKZWPNKD-UHFFFAOYSA-N 2 2 291.399 0.588 20 0 CCADLP CC(C)[C@@](C)(C[NH3+])NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000580554883 335279471 /nfs/dbraw/zinc/27/94/71/335279471.db2.gz DTWURXJQQBFEEG-CQSZACIVSA-N 2 2 288.355 0.766 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)[C@H]([NH3+])c1cscn1 ZINC000577060104 335293160 /nfs/dbraw/zinc/29/31/60/335293160.db2.gz HQAKICVKYQUEKN-PSASIEDQSA-N 2 2 256.375 0.599 20 0 CCADLP CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000577062470 335293585 /nfs/dbraw/zinc/29/35/85/335293585.db2.gz JOSMCIGLPJHVEL-TZMCWYRMSA-N 2 2 253.390 0.977 20 0 CCADLP CCCNC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000577062470 335293587 /nfs/dbraw/zinc/29/35/87/335293587.db2.gz JOSMCIGLPJHVEL-TZMCWYRMSA-N 2 2 253.390 0.977 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)CN(C)c1[nH]c2ccccc2[nH+]1 ZINC000577124619 335304991 /nfs/dbraw/zinc/30/49/91/335304991.db2.gz PUHHIHKZOZATGG-LBPRGKRZSA-N 2 2 292.383 0.938 20 0 CCADLP COc1ccccc1C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000176698695 335324146 /nfs/dbraw/zinc/32/41/46/335324146.db2.gz KDIHFLONFOMAQB-UHFFFAOYSA-N 2 2 291.395 0.901 20 0 CCADLP COc1ccccc1C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000176698695 335324148 /nfs/dbraw/zinc/32/41/48/335324148.db2.gz KDIHFLONFOMAQB-UHFFFAOYSA-N 2 2 291.395 0.901 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCOc2ccccc2)[C@@H](C[NH3+])C1 ZINC000577474746 335356309 /nfs/dbraw/zinc/35/63/09/335356309.db2.gz IUXKWNPZCUGWLF-ZDUSSCGKSA-N 2 2 292.383 0.350 20 0 CCADLP CC[NH2+]CCCNC(=O)NCCCCn1cc[nH+]c1 ZINC000578225961 335588526 /nfs/dbraw/zinc/58/85/26/335588526.db2.gz UUKCGJIXUXIIIE-UHFFFAOYSA-N 2 2 267.377 0.962 20 0 CCADLP O[C@@H]1CCC[C@H](C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000580781148 335966120 /nfs/dbraw/zinc/96/61/20/335966120.db2.gz VZZDRCBXXBOSPD-MYPMTAMASA-N 2 2 268.401 0.894 20 0 CCADLP C[C@H]([NH3+])CCC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000581009251 335995608 /nfs/dbraw/zinc/99/56/08/335995608.db2.gz GRVFYQYNAYVPRU-LBPRGKRZSA-N 2 2 279.388 0.192 20 0 CCADLP O=C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NC1CCOCC1 ZINC000581311192 336045884 /nfs/dbraw/zinc/04/58/84/336045884.db2.gz NBJNIRRNDQWJNC-HNNXBMFYSA-N 2 2 281.400 0.357 20 0 CCADLP O=C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NC1CCOCC1 ZINC000581311192 336045885 /nfs/dbraw/zinc/04/58/85/336045885.db2.gz NBJNIRRNDQWJNC-HNNXBMFYSA-N 2 2 281.400 0.357 20 0 CCADLP C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000581367942 336062232 /nfs/dbraw/zinc/06/22/32/336062232.db2.gz BTLVBFZKXJMRNC-ZYHUDNBSSA-N 2 2 258.325 0.949 20 0 CCADLP C[C@@H](O)CNc1cc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)nc[nH+]1 ZINC000581419668 336074238 /nfs/dbraw/zinc/07/42/38/336074238.db2.gz JCTQTULAKVEYOB-UPJWGTAASA-N 2 2 291.399 0.705 20 0 CCADLP C[C@@H](O)CNc1cc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)[nH+]cn1 ZINC000581419668 336074240 /nfs/dbraw/zinc/07/42/40/336074240.db2.gz JCTQTULAKVEYOB-UPJWGTAASA-N 2 2 291.399 0.705 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCSC2)[C@@H](C[NH3+])C1 ZINC000581597780 336109278 /nfs/dbraw/zinc/10/92/78/336109278.db2.gz WWVNPIZPNJTRQC-QWRGUYRKSA-N 2 2 272.418 0.024 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCSC2)[C@@H](C[NH3+])C1 ZINC000581597780 336109279 /nfs/dbraw/zinc/10/92/79/336109279.db2.gz WWVNPIZPNJTRQC-QWRGUYRKSA-N 2 2 272.418 0.024 20 0 CCADLP CCN1CCN(C[C@@H](O)C[N@H+](C)CC)C[C@H]1c1[nH]cc[nH+]1 ZINC000581674340 336126501 /nfs/dbraw/zinc/12/65/01/336126501.db2.gz AQNOZNSORRCCJC-KBPBESRZSA-N 2 2 295.431 0.401 20 0 CCADLP CCN1CCN(C[C@@H](O)C[N@@H+](C)CC)C[C@H]1c1[nH]cc[nH+]1 ZINC000581674340 336126502 /nfs/dbraw/zinc/12/65/02/336126502.db2.gz AQNOZNSORRCCJC-KBPBESRZSA-N 2 2 295.431 0.401 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCSCC[C@@H]1C ZINC000385329594 336144339 /nfs/dbraw/zinc/14/43/39/336144339.db2.gz PCXDQGIJXQMMSL-QWHCGFSZSA-N 2 2 276.446 0.753 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCSCC[C@@H]1C ZINC000385329594 336144340 /nfs/dbraw/zinc/14/43/40/336144340.db2.gz PCXDQGIJXQMMSL-QWHCGFSZSA-N 2 2 276.446 0.753 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCSCC[C@@H]1C ZINC000385329594 336144341 /nfs/dbraw/zinc/14/43/41/336144341.db2.gz PCXDQGIJXQMMSL-QWHCGFSZSA-N 2 2 276.446 0.753 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCSCC[C@@H]1C ZINC000385329594 336144343 /nfs/dbraw/zinc/14/43/43/336144343.db2.gz PCXDQGIJXQMMSL-QWHCGFSZSA-N 2 2 276.446 0.753 20 0 CCADLP CC[N@H+](C[C@H](O)C[NH+](C)CCOC)[C@H]1CCOC1 ZINC000386326349 336171028 /nfs/dbraw/zinc/17/10/28/336171028.db2.gz JIIGVQFWYPCBCQ-QWHCGFSZSA-N 2 2 260.378 0.036 20 0 CCADLP CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)[C@H]1CCOC1 ZINC000386326349 336171029 /nfs/dbraw/zinc/17/10/29/336171029.db2.gz JIIGVQFWYPCBCQ-QWHCGFSZSA-N 2 2 260.378 0.036 20 0 CCADLP CC[NH+](C[C@H](O)C[N@H+](C)CCOC)[C@H]1CCOC1 ZINC000386326349 336171030 /nfs/dbraw/zinc/17/10/30/336171030.db2.gz JIIGVQFWYPCBCQ-QWHCGFSZSA-N 2 2 260.378 0.036 20 0 CCADLP CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)[C@H]1CCOC1 ZINC000386326349 336171031 /nfs/dbraw/zinc/17/10/31/336171031.db2.gz JIIGVQFWYPCBCQ-QWHCGFSZSA-N 2 2 260.378 0.036 20 0 CCADLP c1cn2c(cccc2C[NH2+][C@@H]2CCc3nnnn3CC2)[nH+]1 ZINC000581937298 336172486 /nfs/dbraw/zinc/17/24/86/336172486.db2.gz OPLAXFGCTVGMDA-LLVKDONJSA-N 2 2 283.339 0.816 20 0 CCADLP COC(=O)Cn1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)nn1 ZINC000358347593 533812832 /nfs/dbraw/zinc/81/28/32/533812832.db2.gz UUROAEGRVFEVBC-QWRGUYRKSA-N 2 2 281.360 0.023 20 0 CCADLP COC(=O)Cn1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)nn1 ZINC000358347593 533812837 /nfs/dbraw/zinc/81/28/37/533812837.db2.gz UUROAEGRVFEVBC-QWRGUYRKSA-N 2 2 281.360 0.023 20 0 CCADLP C[NH2+]CCN(C)C(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000417813040 545094285 /nfs/dbraw/zinc/09/42/85/545094285.db2.gz QMBAQVJQTNOYNU-NSHDSACASA-N 2 2 257.284 0.642 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)[C@H]1CCCO1 ZINC000453273775 533881236 /nfs/dbraw/zinc/88/12/36/533881236.db2.gz VZDSBHDBFDACAR-MELADBBJSA-N 2 2 256.390 0.990 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)[C@H]1CCCO1 ZINC000453273775 533881242 /nfs/dbraw/zinc/88/12/42/533881242.db2.gz VZDSBHDBFDACAR-MELADBBJSA-N 2 2 256.390 0.990 20 0 CCADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1cnn(C)c1 ZINC000453254285 533904854 /nfs/dbraw/zinc/90/48/54/533904854.db2.gz DLLBGZXEOYUCGR-GXTWGEPZSA-N 2 2 266.389 0.918 20 0 CCADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1cnn(C)c1 ZINC000453254285 533904856 /nfs/dbraw/zinc/90/48/56/533904856.db2.gz DLLBGZXEOYUCGR-GXTWGEPZSA-N 2 2 266.389 0.918 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)[C@@H](C)O1 ZINC000449384532 533951907 /nfs/dbraw/zinc/95/19/07/533951907.db2.gz BPUWSTMVRIQHPI-MQYQWHSLSA-N 2 2 256.390 0.989 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)[C@@H](C)O1 ZINC000449384532 533951914 /nfs/dbraw/zinc/95/19/14/533951914.db2.gz BPUWSTMVRIQHPI-MQYQWHSLSA-N 2 2 256.390 0.989 20 0 CCADLP CCN1CC[NH+](CCCC[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000343304346 535695030 /nfs/dbraw/zinc/69/50/30/535695030.db2.gz OKTCDOOYDBNNBA-HOTGVXAUSA-N 3 2 282.476 0.944 20 0 CCADLP CCN1CC[NH+](CCCC[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000343304346 535695035 /nfs/dbraw/zinc/69/50/35/535695035.db2.gz OKTCDOOYDBNNBA-HOTGVXAUSA-N 3 2 282.476 0.944 20 0 CCADLP C[C@H](O)CNc1cc(NCC2([NH+](C)C)CC2)nc[nH+]1 ZINC000419011887 534088791 /nfs/dbraw/zinc/08/87/91/534088791.db2.gz UGPJLMVVQCALKO-JTQLQIEISA-N 2 2 265.361 0.197 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)Cn1cc[nH+]c1)c1ccco1 ZINC000570213486 517915562 /nfs/dbraw/zinc/91/55/62/517915562.db2.gz KJVDZCWFVAEETA-LLVKDONJSA-N 2 2 262.313 0.895 20 0 CCADLP CCc1cc(N2CC[N@H+](CCO)[C@H](C)C2)nc(C)[nH+]1 ZINC000490072723 545098720 /nfs/dbraw/zinc/09/87/20/545098720.db2.gz COVPNOKMHUIDHM-LLVKDONJSA-N 2 2 264.373 0.850 20 0 CCADLP CCc1cc(N2CC[N@@H+](CCO)[C@H](C)C2)nc(C)[nH+]1 ZINC000490072723 545098721 /nfs/dbraw/zinc/09/87/21/545098721.db2.gz COVPNOKMHUIDHM-LLVKDONJSA-N 2 2 264.373 0.850 20 0 CCADLP CC(C)(CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2)[NH+]1CCOCC1 ZINC000372423144 519256070 /nfs/dbraw/zinc/25/60/70/519256070.db2.gz VVRJJNLOMZMVIZ-WFASDCNBSA-N 2 2 281.400 0.213 20 0 CCADLP CC(C)[C@H](C[NH+](C)C)[NH2+]C[C@H](O)Cn1cccn1 ZINC000049203989 519814529 /nfs/dbraw/zinc/81/45/29/519814529.db2.gz WNPUMUKBJOFKMC-STQMWFEESA-N 2 2 254.378 0.420 20 0 CCADLP CC[NH+](CC)CCNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000356135430 520674755 /nfs/dbraw/zinc/67/47/55/520674755.db2.gz VLFVGRLZMFGTTG-CYBMUJFWSA-N 2 2 286.420 0.348 20 0 CCADLP CC[NH+](CC)CCNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000356135430 520674761 /nfs/dbraw/zinc/67/47/61/520674761.db2.gz VLFVGRLZMFGTTG-CYBMUJFWSA-N 2 2 286.420 0.348 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365651571 521740938 /nfs/dbraw/zinc/74/09/38/521740938.db2.gz WPHLRFYEBSUUNV-NSHDSACASA-N 2 2 293.371 0.445 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365651571 521740939 /nfs/dbraw/zinc/74/09/39/521740939.db2.gz WPHLRFYEBSUUNV-NSHDSACASA-N 2 2 293.371 0.445 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000364994936 521944897 /nfs/dbraw/zinc/94/48/97/521944897.db2.gz NBOUEDFPTQDTCR-AVGNSLFASA-N 2 2 269.389 0.293 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000068801957 522031953 /nfs/dbraw/zinc/03/19/53/522031953.db2.gz LEUMXDQTUIOICM-OAHLLOKOSA-N 2 2 291.395 0.809 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000068801957 522031962 /nfs/dbraw/zinc/03/19/62/522031962.db2.gz LEUMXDQTUIOICM-OAHLLOKOSA-N 2 2 291.395 0.809 20 0 CCADLP [NH3+]CCCNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000418312195 534613353 /nfs/dbraw/zinc/61/33/53/534613353.db2.gz NPZVKCFZHLSPAK-UHFFFAOYSA-N 2 2 263.345 0.262 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)CCc2c[nH+]c[nH]2)n1C ZINC000530282676 545101799 /nfs/dbraw/zinc/10/17/99/545101799.db2.gz QSIBBGQRSACCMZ-UHFFFAOYSA-N 2 2 276.344 0.458 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)CCc2c[nH]c[nH+]2)n1C ZINC000530282676 545101800 /nfs/dbraw/zinc/10/18/00/545101800.db2.gz QSIBBGQRSACCMZ-UHFFFAOYSA-N 2 2 276.344 0.458 20 0 CCADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000353436291 523411506 /nfs/dbraw/zinc/41/15/06/523411506.db2.gz XSQPRZZNZLCFNY-CHWSQXEVSA-N 2 2 283.416 0.602 20 0 CCADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000353436291 523411516 /nfs/dbraw/zinc/41/15/16/523411516.db2.gz XSQPRZZNZLCFNY-CHWSQXEVSA-N 2 2 283.416 0.602 20 0 CCADLP [NH3+][C@H](C(=O)NC[C@H]1CC[NH2+]CC1(F)F)C1CCC1 ZINC000424188258 534718688 /nfs/dbraw/zinc/71/86/88/534718688.db2.gz JGONGIAXCYGTPF-ZJUUUORDSA-N 2 2 261.316 0.475 20 0 CCADLP Cc1cnn(C)c1C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449396727 534728535 /nfs/dbraw/zinc/72/85/35/534728535.db2.gz MMFAVTZUAPQMLF-ZDUSSCGKSA-N 2 2 266.389 0.665 20 0 CCADLP Cc1cnn(C)c1C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449396727 534728538 /nfs/dbraw/zinc/72/85/38/534728538.db2.gz MMFAVTZUAPQMLF-ZDUSSCGKSA-N 2 2 266.389 0.665 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCOCC23CCC3)CC1 ZINC000363744463 523869508 /nfs/dbraw/zinc/86/95/08/523869508.db2.gz QSTYRUQSKHCYPK-UHFFFAOYSA-N 2 2 281.400 0.405 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCOCC23CCC3)CC1 ZINC000363744463 523869511 /nfs/dbraw/zinc/86/95/11/523869511.db2.gz QSTYRUQSKHCYPK-UHFFFAOYSA-N 2 2 281.400 0.405 20 0 CCADLP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)NC[C@@H]3CCCO3)C2)C1 ZINC000366537178 523994886 /nfs/dbraw/zinc/99/48/86/523994886.db2.gz VVYQXQCGWALGPG-ZFWWWQNUSA-N 2 2 281.400 0.309 20 0 CCADLP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)NC[C@@H]3CCCO3)C2)C1 ZINC000366537178 523994889 /nfs/dbraw/zinc/99/48/89/523994889.db2.gz VVYQXQCGWALGPG-ZFWWWQNUSA-N 2 2 281.400 0.309 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)NC[C@@H]3CCCO3)C2)C1 ZINC000366537178 523994892 /nfs/dbraw/zinc/99/48/92/523994892.db2.gz VVYQXQCGWALGPG-ZFWWWQNUSA-N 2 2 281.400 0.309 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)NC[C@@H]3CCCO3)C2)C1 ZINC000366537178 523994896 /nfs/dbraw/zinc/99/48/96/523994896.db2.gz VVYQXQCGWALGPG-ZFWWWQNUSA-N 2 2 281.400 0.309 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@H](C)[C@H](C)[NH3+])CC2)cc[nH+]1 ZINC000423777236 534754619 /nfs/dbraw/zinc/75/46/19/534754619.db2.gz FTGCQEXTGIYAFT-MNOVXSKESA-N 2 2 277.372 0.417 20 0 CCADLP Cc1nc(N2CC[NH+](CC[C@@H](C)O)CC2)cc[nH+]1 ZINC000450743474 534755885 /nfs/dbraw/zinc/75/58/85/534755885.db2.gz HLTCXIWWFRNBKI-LLVKDONJSA-N 2 2 250.346 0.678 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCO2)C[C@@H]1C[NH3+] ZINC000163826456 524500636 /nfs/dbraw/zinc/50/06/36/524500636.db2.gz IPBJGEHLBLNKEQ-AGIUHOORSA-N 2 2 269.389 0.198 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCO2)C[C@@H]1C[NH3+] ZINC000163826456 524500641 /nfs/dbraw/zinc/50/06/41/524500641.db2.gz IPBJGEHLBLNKEQ-AGIUHOORSA-N 2 2 269.389 0.198 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366558746 526677135 /nfs/dbraw/zinc/67/71/35/526677135.db2.gz SVSBDLISGJRASQ-CYBMUJFWSA-N 2 2 278.356 0.206 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)NC1CC1 ZINC000156356667 526800631 /nfs/dbraw/zinc/80/06/31/526800631.db2.gz MTVSVWIHNQDFOY-CYBMUJFWSA-N 2 2 261.325 0.813 20 0 CCADLP O=C(C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)NC1CC1 ZINC000156356667 526800634 /nfs/dbraw/zinc/80/06/34/526800634.db2.gz MTVSVWIHNQDFOY-CYBMUJFWSA-N 2 2 261.325 0.813 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000666810841 545131512 /nfs/dbraw/zinc/13/15/12/545131512.db2.gz VQULDIKTQKTTEK-FZMZJTMJSA-N 2 2 276.384 0.971 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000666810841 545131513 /nfs/dbraw/zinc/13/15/13/545131513.db2.gz VQULDIKTQKTTEK-FZMZJTMJSA-N 2 2 276.384 0.971 20 0 CCADLP F[C@@H]1C[NH2+][C@H](C[NH2+]Cc2cnc(N3CCCC3)nc2)C1 ZINC000666945464 545135838 /nfs/dbraw/zinc/13/58/38/545135838.db2.gz RRJMPFPINOXKFT-STQMWFEESA-N 2 2 279.363 0.866 20 0 CCADLP C([NH2+]C[C@@H]1C[NH2+]CCO1)c1nc2c(s1)CCC2 ZINC000667036203 545137739 /nfs/dbraw/zinc/13/77/39/545137739.db2.gz XSUMTFGEZOBCRS-VIFPVBQESA-N 2 2 253.371 0.710 20 0 CCADLP Cc1[nH+]cc(CN2CC[NH+](CC(=O)NC(C)C)CC2)n1C ZINC000667484159 545148635 /nfs/dbraw/zinc/14/86/35/545148635.db2.gz AXHJFJXHOQTTCM-UHFFFAOYSA-N 2 2 293.415 0.371 20 0 CCADLP CC(C)(O)C[NH+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493641762 527343992 /nfs/dbraw/zinc/34/39/92/527343992.db2.gz KKXUBHMVJXPBBF-ARJAWSKDSA-N 2 2 278.356 0.338 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000667662286 545153037 /nfs/dbraw/zinc/15/30/37/545153037.db2.gz DMPSDMQFLLWFNN-VXGBXAGGSA-N 2 2 273.340 0.845 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)Nc1cccc(C[NH3+])c1 ZINC000667729556 545155340 /nfs/dbraw/zinc/15/53/40/545155340.db2.gz MTXIULKHIISCNV-GFCCVEGCSA-N 2 2 292.383 0.988 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)Nc1cccc(C[NH3+])c1 ZINC000667729556 545155341 /nfs/dbraw/zinc/15/53/41/545155341.db2.gz MTXIULKHIISCNV-GFCCVEGCSA-N 2 2 292.383 0.988 20 0 CCADLP Cc1[nH+]cc(C[N@@H+]2CCCC[C@@H]2CC(N)=O)n1C ZINC000667561166 545149810 /nfs/dbraw/zinc/14/98/10/545149810.db2.gz NRPGEXHVNSIGNK-LLVKDONJSA-N 2 2 250.346 0.958 20 0 CCADLP Cc1[nH+]cc(C[N@H+]2CCCC[C@@H]2CC(N)=O)n1C ZINC000667561166 545149811 /nfs/dbraw/zinc/14/98/11/545149811.db2.gz NRPGEXHVNSIGNK-LLVKDONJSA-N 2 2 250.346 0.958 20 0 CCADLP Cc1[nH+]cc(CN2CC[N@@H+](CCO)C[C@@H]2C)n1C ZINC000668228443 545168520 /nfs/dbraw/zinc/16/85/20/545168520.db2.gz IUUHQIADULCBAZ-NSHDSACASA-N 2 2 252.362 0.227 20 0 CCADLP Cc1[nH+]cc(CN2CC[N@H+](CCO)C[C@@H]2C)n1C ZINC000668228443 545168521 /nfs/dbraw/zinc/16/85/21/545168521.db2.gz IUUHQIADULCBAZ-NSHDSACASA-N 2 2 252.362 0.227 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000668329970 545173653 /nfs/dbraw/zinc/17/36/53/545173653.db2.gz IISVZUNNBQNASO-IJLUTSLNSA-N 2 2 262.357 0.734 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000668329970 545173654 /nfs/dbraw/zinc/17/36/54/545173654.db2.gz IISVZUNNBQNASO-IJLUTSLNSA-N 2 2 262.357 0.734 20 0 CCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)n1C ZINC000668546334 545181115 /nfs/dbraw/zinc/18/11/15/545181115.db2.gz YAKFODWEJHHDSU-AAEUAGOBSA-N 2 2 262.357 0.829 20 0 CCADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)n1C ZINC000668546334 545181116 /nfs/dbraw/zinc/18/11/16/545181116.db2.gz YAKFODWEJHHDSU-AAEUAGOBSA-N 2 2 262.357 0.829 20 0 CCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)n1C ZINC000668546337 545181142 /nfs/dbraw/zinc/18/11/42/545181142.db2.gz YAKFODWEJHHDSU-YPMHNXCESA-N 2 2 262.357 0.829 20 0 CCADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)n1C ZINC000668546337 545181143 /nfs/dbraw/zinc/18/11/43/545181143.db2.gz YAKFODWEJHHDSU-YPMHNXCESA-N 2 2 262.357 0.829 20 0 CCADLP C[C@@H](O)C1([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CC1 ZINC000668699072 545187882 /nfs/dbraw/zinc/18/78/82/545187882.db2.gz LOMABJDAESIJRV-CQSZACIVSA-N 2 2 297.443 0.286 20 0 CCADLP C[C@@H](O)C1([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CC1 ZINC000668699072 545187883 /nfs/dbraw/zinc/18/78/83/545187883.db2.gz LOMABJDAESIJRV-CQSZACIVSA-N 2 2 297.443 0.286 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC000412873321 527792305 /nfs/dbraw/zinc/79/23/05/527792305.db2.gz HNBWIJFUJPDWGA-HIFRSBDPSA-N 2 2 295.427 0.840 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC000412873321 527792310 /nfs/dbraw/zinc/79/23/10/527792310.db2.gz HNBWIJFUJPDWGA-HIFRSBDPSA-N 2 2 295.427 0.840 20 0 CCADLP CC[NH+]1CC[C@@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000412873321 527792314 /nfs/dbraw/zinc/79/23/14/527792314.db2.gz HNBWIJFUJPDWGA-HIFRSBDPSA-N 2 2 295.427 0.840 20 0 CCADLP CC[NH+]1CC[C@@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000412873321 527792319 /nfs/dbraw/zinc/79/23/19/527792319.db2.gz HNBWIJFUJPDWGA-HIFRSBDPSA-N 2 2 295.427 0.840 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(O)CC[NH+](C)C2)[C@@H](C)C1 ZINC000358223119 527879926 /nfs/dbraw/zinc/87/99/26/527879926.db2.gz ABJKHGMVYRTYAF-IHRRRGAJSA-N 3 2 255.406 0.373 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+]C[C@@]2(O)CC[NH+](C)C2)[C@@H](C)C1 ZINC000358223119 527879931 /nfs/dbraw/zinc/87/99/31/527879931.db2.gz ABJKHGMVYRTYAF-IHRRRGAJSA-N 3 2 255.406 0.373 20 0 CCADLP CC[NH+]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)[C@@H](C)C1 ZINC000358223119 527879940 /nfs/dbraw/zinc/87/99/40/527879940.db2.gz ABJKHGMVYRTYAF-IHRRRGAJSA-N 3 2 255.406 0.373 20 0 CCADLP CC[NH+]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)[C@@H](C)C1 ZINC000358223119 527879945 /nfs/dbraw/zinc/87/99/45/527879945.db2.gz ABJKHGMVYRTYAF-IHRRRGAJSA-N 3 2 255.406 0.373 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H](NC[C@@H]2C[NH+](C3CC3)CCO2)C1 ZINC000358174222 527974202 /nfs/dbraw/zinc/97/42/02/527974202.db2.gz KXQBRJDTVQBZEK-NWANDNLSSA-N 2 2 267.417 0.779 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H](NC[C@@H]2C[NH+](C3CC3)CCO2)C1 ZINC000358174222 527974204 /nfs/dbraw/zinc/97/42/04/527974204.db2.gz KXQBRJDTVQBZEK-NWANDNLSSA-N 2 2 267.417 0.779 20 0 CCADLP CC[NH+]1C[C@H](C)[C@H](NC[C@@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000358174222 527974207 /nfs/dbraw/zinc/97/42/07/527974207.db2.gz KXQBRJDTVQBZEK-NWANDNLSSA-N 2 2 267.417 0.779 20 0 CCADLP CC[NH+]1C[C@H](C)[C@H](NC[C@@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000358174222 527974210 /nfs/dbraw/zinc/97/42/10/527974210.db2.gz KXQBRJDTVQBZEK-NWANDNLSSA-N 2 2 267.417 0.779 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]CC2(CO)CCOCC2)[C@@H](C)C1 ZINC000358349624 527989328 /nfs/dbraw/zinc/98/93/28/527989328.db2.gz HYCHQNADHKZKJM-STQMWFEESA-N 2 2 256.390 0.705 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]CC2(CO)CCOCC2)[C@@H](C)C1 ZINC000358349624 527989331 /nfs/dbraw/zinc/98/93/31/527989331.db2.gz HYCHQNADHKZKJM-STQMWFEESA-N 2 2 256.390 0.705 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000669457038 545208651 /nfs/dbraw/zinc/20/86/51/545208651.db2.gz BVJDBKLEZAICBT-ZDUSSCGKSA-N 2 2 298.431 0.539 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000669457038 545208652 /nfs/dbraw/zinc/20/86/52/545208652.db2.gz BVJDBKLEZAICBT-ZDUSSCGKSA-N 2 2 298.431 0.539 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000669461658 545208947 /nfs/dbraw/zinc/20/89/47/545208947.db2.gz HWFJDEOERLKSAF-CHWSQXEVSA-N 2 2 284.404 0.148 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000669461658 545208948 /nfs/dbraw/zinc/20/89/48/545208948.db2.gz HWFJDEOERLKSAF-CHWSQXEVSA-N 2 2 284.404 0.148 20 0 CCADLP CC[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])[C@H]1CCCO1 ZINC000669545142 545214218 /nfs/dbraw/zinc/21/42/18/545214218.db2.gz ZQPBWOWUWKHSKC-RWMBFGLXSA-N 2 2 284.404 0.228 20 0 CCADLP CC[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])[C@H]1CCCO1 ZINC000669545142 545214219 /nfs/dbraw/zinc/21/42/19/545214219.db2.gz ZQPBWOWUWKHSKC-RWMBFGLXSA-N 2 2 284.404 0.228 20 0 CCADLP C[C@H]1C[N@@H+](CCN2CC[NH+](C[C@H]3CCCO3)CC2)CCO1 ZINC000669687476 545219190 /nfs/dbraw/zinc/21/91/90/545219190.db2.gz LZIQJAUWLYUNTJ-JKSUJKDBSA-N 2 2 297.443 0.504 20 0 CCADLP CC[N@@H+]1CCN(CC[NH+]2CCO[C@H](C)C2)C[C@@H]1C ZINC000669691555 545219474 /nfs/dbraw/zinc/21/94/74/545219474.db2.gz KTYOZPAAWSHIDQ-UONOGXRCSA-N 2 2 255.406 0.733 20 0 CCADLP CC[N@H+]1CCN(CC[NH+]2CCO[C@H](C)C2)C[C@@H]1C ZINC000669691555 545219475 /nfs/dbraw/zinc/21/94/75/545219475.db2.gz KTYOZPAAWSHIDQ-UONOGXRCSA-N 2 2 255.406 0.733 20 0 CCADLP CC[NH+]1CCN(CC[N@@H+]2CCO[C@H](C)C2)C[C@@H]1C ZINC000669691555 545219476 /nfs/dbraw/zinc/21/94/76/545219476.db2.gz KTYOZPAAWSHIDQ-UONOGXRCSA-N 2 2 255.406 0.733 20 0 CCADLP CC[NH+]1CCN(CC[N@H+]2CCO[C@H](C)C2)C[C@@H]1C ZINC000669691555 545219477 /nfs/dbraw/zinc/21/94/77/545219477.db2.gz KTYOZPAAWSHIDQ-UONOGXRCSA-N 2 2 255.406 0.733 20 0 CCADLP Cc1cc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)nn1C ZINC000669699136 545219555 /nfs/dbraw/zinc/21/95/55/545219555.db2.gz RFFDUZGSCKWXIL-GFCCVEGCSA-N 2 2 279.388 0.153 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000418446371 528507427 /nfs/dbraw/zinc/50/74/27/528507427.db2.gz PLIHHFKPTOBJBN-CYBMUJFWSA-N 2 2 286.420 0.333 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449656908 528553699 /nfs/dbraw/zinc/55/36/99/528553699.db2.gz MWINZJYSPPCDLP-ZJUUUORDSA-N 2 2 263.332 0.736 20 0 CCADLP CC(C)n1c[nH+]cc1CN1CC[NH+](C[C@H](C)O)CC1 ZINC000425338028 528621400 /nfs/dbraw/zinc/62/14/00/528621400.db2.gz OGHOJFTYHRWZIB-ZDUSSCGKSA-N 2 2 266.389 0.962 20 0 CCADLP CCOc1cccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)n1 ZINC000358164135 528655661 /nfs/dbraw/zinc/65/56/61/528655661.db2.gz NBDAVWPXOWRWGN-CQSZACIVSA-N 2 2 265.357 0.637 20 0 CCADLP CCOc1cccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)n1 ZINC000358164135 528655666 /nfs/dbraw/zinc/65/56/66/528655666.db2.gz NBDAVWPXOWRWGN-CQSZACIVSA-N 2 2 265.357 0.637 20 0 CCADLP CC[N@H+](C[C@H](C)OC)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000361561485 528726195 /nfs/dbraw/zinc/72/61/95/528726195.db2.gz AFZIKGYADDMVBS-UONOGXRCSA-N 2 2 285.432 0.896 20 0 CCADLP CC[N@@H+](C[C@H](C)OC)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000361561485 528726198 /nfs/dbraw/zinc/72/61/98/528726198.db2.gz AFZIKGYADDMVBS-UONOGXRCSA-N 2 2 285.432 0.896 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)c2ccnc(C[NH3+])c2)CC1 ZINC000361612624 528747927 /nfs/dbraw/zinc/74/79/27/528747927.db2.gz XHASWSDOLDQBNK-UHFFFAOYSA-N 2 2 292.383 0.335 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)NC2CC[NH+](C)CC2)CCO1 ZINC000492134578 529292674 /nfs/dbraw/zinc/29/26/74/529292674.db2.gz TWQUDLRUVWQHJA-AWEZNQCLSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)NC2CC[NH+](C)CC2)CCO1 ZINC000492134578 529292676 /nfs/dbraw/zinc/29/26/76/529292676.db2.gz TWQUDLRUVWQHJA-AWEZNQCLSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H]1C[C@@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000674000695 545298223 /nfs/dbraw/zinc/29/82/23/545298223.db2.gz UATTXQDXHURAPM-YPMHNXCESA-N 2 2 253.390 0.785 20 0 CCADLP C[C@@H](C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1)[NH+](C)C ZINC000674287277 545302622 /nfs/dbraw/zinc/30/26/22/545302622.db2.gz JCBZFGNBSHJUQU-VIFPVBQESA-N 2 2 283.376 0.433 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)N[C@@H]2CCC[N@H+](C)C2)n1C ZINC000674394419 545305682 /nfs/dbraw/zinc/30/56/82/545305682.db2.gz BPJUCNOYAASLTF-LLVKDONJSA-N 2 2 294.403 0.380 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)N[C@@H]2CCC[N@@H+](C)C2)n1C ZINC000674394419 545305683 /nfs/dbraw/zinc/30/56/83/545305683.db2.gz BPJUCNOYAASLTF-LLVKDONJSA-N 2 2 294.403 0.380 20 0 CCADLP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000356626034 535245304 /nfs/dbraw/zinc/24/53/04/535245304.db2.gz IRRULEIPEQLCOC-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000356626034 535245308 /nfs/dbraw/zinc/24/53/08/535245308.db2.gz IRRULEIPEQLCOC-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000349613482 535247684 /nfs/dbraw/zinc/24/76/84/535247684.db2.gz RPDNYXCTHSEIIT-CYBMUJFWSA-N 2 2 299.415 0.424 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000349613482 535247690 /nfs/dbraw/zinc/24/76/90/535247690.db2.gz RPDNYXCTHSEIIT-CYBMUJFWSA-N 2 2 299.415 0.424 20 0 CCADLP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)[NH+](C)C ZINC000675663959 545330184 /nfs/dbraw/zinc/33/01/84/545330184.db2.gz WQTGQRLNRFEGMV-MELADBBJSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCCN(C)S(C)(=O)=O)C[N@@H+]1C1CC1 ZINC000675747301 545331138 /nfs/dbraw/zinc/33/11/38/545331138.db2.gz XPBZYCUKMBYBBJ-RYUDHWBXSA-N 2 2 289.445 0.483 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCCN(C)S(C)(=O)=O)C[N@H+]1C1CC1 ZINC000675747301 545331139 /nfs/dbraw/zinc/33/11/39/545331139.db2.gz XPBZYCUKMBYBBJ-RYUDHWBXSA-N 2 2 289.445 0.483 20 0 CCADLP Cc1ncc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)c(C)n1 ZINC000675781877 545331233 /nfs/dbraw/zinc/33/12/33/545331233.db2.gz FPFJYOGYCKFBRM-LLVKDONJSA-N 2 2 291.399 0.518 20 0 CCADLP CCO[C@@H]1C[C@H]1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000344772968 535523915 /nfs/dbraw/zinc/52/39/15/535523915.db2.gz RALXRZYCOFJBQN-HUUCEWRRSA-N 2 2 297.443 0.896 20 0 CCADLP CCO[C@@H]1C[C@H]1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000344772968 535523920 /nfs/dbraw/zinc/52/39/20/535523920.db2.gz RALXRZYCOFJBQN-HUUCEWRRSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@@H](NC(=O)CCCn1cc[nH+]c1)[C@H]1C[N@H+](C)CCO1 ZINC000676291159 545340210 /nfs/dbraw/zinc/34/02/10/545340210.db2.gz ZUKXUBAIGMILED-CHWSQXEVSA-N 2 2 280.372 0.499 20 0 CCADLP C[C@@H](NC(=O)CCCn1cc[nH+]c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676291159 545340211 /nfs/dbraw/zinc/34/02/11/545340211.db2.gz ZUKXUBAIGMILED-CHWSQXEVSA-N 2 2 280.372 0.499 20 0 CCADLP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CCC[N@H+](C)C(C)C ZINC000422965912 535579512 /nfs/dbraw/zinc/57/95/12/535579512.db2.gz QCKJAWSMMFGUTP-CHWSQXEVSA-N 2 2 271.405 0.600 20 0 CCADLP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CCC[N@@H+](C)C(C)C ZINC000422965912 535579515 /nfs/dbraw/zinc/57/95/15/535579515.db2.gz QCKJAWSMMFGUTP-CHWSQXEVSA-N 2 2 271.405 0.600 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCCC[N@H+](C)C(C)C ZINC000422965912 535579520 /nfs/dbraw/zinc/57/95/20/535579520.db2.gz QCKJAWSMMFGUTP-CHWSQXEVSA-N 2 2 271.405 0.600 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCCC[N@@H+](C)C(C)C ZINC000422965912 535579525 /nfs/dbraw/zinc/57/95/25/535579525.db2.gz QCKJAWSMMFGUTP-CHWSQXEVSA-N 2 2 271.405 0.600 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC000263715353 535598762 /nfs/dbraw/zinc/59/87/62/535598762.db2.gz VYFZYDJRRGVAQY-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC000263715353 535598766 /nfs/dbraw/zinc/59/87/66/535598766.db2.gz VYFZYDJRRGVAQY-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000341759070 535641456 /nfs/dbraw/zinc/64/14/56/535641456.db2.gz CVMJUDRFVBEFKK-GFCCVEGCSA-N 2 2 292.445 0.246 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1CCOCC1 ZINC000676664673 545348048 /nfs/dbraw/zinc/34/80/48/545348048.db2.gz ZPLMQLTWOYAFJL-UHFFFAOYSA-N 2 2 271.405 0.413 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1CCOCC1 ZINC000676664673 545348049 /nfs/dbraw/zinc/34/80/49/545348049.db2.gz ZPLMQLTWOYAFJL-UHFFFAOYSA-N 2 2 271.405 0.413 20 0 CCADLP CC[NH+]1CCN(CCC[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000347716793 535698550 /nfs/dbraw/zinc/69/85/50/535698550.db2.gz IURVQWXIVFYZKG-LSDHHAIUSA-N 3 2 268.449 0.554 20 0 CCADLP CC[NH+]1CCN(CCC[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000347716793 535698555 /nfs/dbraw/zinc/69/85/55/535698555.db2.gz IURVQWXIVFYZKG-LSDHHAIUSA-N 3 2 268.449 0.554 20 0 CCADLP C[C@H](C(=O)N[C@@H]1CCC[N@H+](C)C1)[NH+]1CCSCC1 ZINC000676842202 545353501 /nfs/dbraw/zinc/35/35/01/545353501.db2.gz YVAZDLGIRWDNAE-VXGBXAGGSA-N 2 2 271.430 0.634 20 0 CCADLP C[C@H](C(=O)N[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCSCC1 ZINC000676842202 545353502 /nfs/dbraw/zinc/35/35/02/545353502.db2.gz YVAZDLGIRWDNAE-VXGBXAGGSA-N 2 2 271.430 0.634 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000423671961 535778598 /nfs/dbraw/zinc/77/85/98/535778598.db2.gz DCFKQXHAMKWCQM-SNVBAGLBSA-N 2 2 259.313 0.734 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC000677182239 545360178 /nfs/dbraw/zinc/36/01/78/545360178.db2.gz FAJBOTLXQOICSR-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC000677182239 545360179 /nfs/dbraw/zinc/36/01/79/545360179.db2.gz FAJBOTLXQOICSR-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC000677182241 545360237 /nfs/dbraw/zinc/36/02/37/545360237.db2.gz FAJBOTLXQOICSR-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC000677182241 545360238 /nfs/dbraw/zinc/36/02/38/545360238.db2.gz FAJBOTLXQOICSR-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP CC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccn(C)n1 ZINC000349448718 535898948 /nfs/dbraw/zinc/89/89/48/535898948.db2.gz DZQPLKUFBHMEJC-ZDUSSCGKSA-N 2 2 293.415 0.625 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+]([C@H]2CCCOC2)CC1 ZINC000678083264 545384266 /nfs/dbraw/zinc/38/42/66/545384266.db2.gz XZBKNPHAIVJFOB-UONOGXRCSA-N 2 2 281.400 0.580 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+]([C@H]2CCCOC2)CC1 ZINC000678083264 545384267 /nfs/dbraw/zinc/38/42/67/545384267.db2.gz XZBKNPHAIVJFOB-UONOGXRCSA-N 2 2 281.400 0.580 20 0 CCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cscn1 ZINC000678115049 545385024 /nfs/dbraw/zinc/38/50/24/545385024.db2.gz RYDCQEFXYLZUPB-SNVBAGLBSA-N 2 2 268.386 0.568 20 0 CCADLP Cc1cccn2c(C[NH2+]CCc3nnnn3C)c[nH+]c12 ZINC000678499089 545393207 /nfs/dbraw/zinc/39/32/07/545393207.db2.gz IQTHFWROUQLMBH-UHFFFAOYSA-N 2 2 271.328 0.499 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C(F)F)C2)CC1 ZINC000678531175 545393917 /nfs/dbraw/zinc/39/39/17/545393917.db2.gz AUPDIVHXGFVISK-JTQLQIEISA-N 2 2 261.316 0.347 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C(F)F)C2)CC1 ZINC000678531175 545393918 /nfs/dbraw/zinc/39/39/18/545393918.db2.gz AUPDIVHXGFVISK-JTQLQIEISA-N 2 2 261.316 0.347 20 0 CCADLP C[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)C(C)(C)O ZINC000679015025 545401107 /nfs/dbraw/zinc/40/11/07/545401107.db2.gz BGAOUUAEBRDQDY-CQSZACIVSA-N 2 2 299.459 0.532 20 0 CCADLP C[C@@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)C(C)(C)O ZINC000679015025 545401108 /nfs/dbraw/zinc/40/11/08/545401108.db2.gz BGAOUUAEBRDQDY-CQSZACIVSA-N 2 2 299.459 0.532 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1F ZINC000679224450 545404274 /nfs/dbraw/zinc/40/42/74/545404274.db2.gz SQUNJBVIPKRPPZ-VXGBXAGGSA-N 2 2 257.353 0.440 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1F ZINC000679224450 545404275 /nfs/dbraw/zinc/40/42/75/545404275.db2.gz SQUNJBVIPKRPPZ-VXGBXAGGSA-N 2 2 257.353 0.440 20 0 CCADLP COC(=O)c1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)[nH]1 ZINC000261768130 536675256 /nfs/dbraw/zinc/67/52/56/536675256.db2.gz MEMWUWDZILJQRJ-CYBMUJFWSA-N 2 2 251.330 0.972 20 0 CCADLP COC(=O)c1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)[nH]1 ZINC000261768130 536675262 /nfs/dbraw/zinc/67/52/62/536675262.db2.gz MEMWUWDZILJQRJ-CYBMUJFWSA-N 2 2 251.330 0.972 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)N[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC000679890288 545417968 /nfs/dbraw/zinc/41/79/68/545417968.db2.gz KIHNBNGHIFRDDK-GFCCVEGCSA-N 2 2 277.372 0.811 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)N[C@@H]1CCC[N@H+](C)C1)CC2 ZINC000679890288 545417969 /nfs/dbraw/zinc/41/79/69/545417969.db2.gz KIHNBNGHIFRDDK-GFCCVEGCSA-N 2 2 277.372 0.811 20 0 CCADLP NC(=O)c1c[nH+]ccc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000680827038 545435401 /nfs/dbraw/zinc/43/54/01/545435401.db2.gz AZVFQGJQSWRFKQ-LBPRGKRZSA-N 2 2 290.367 0.482 20 0 CCADLP C[N@@H+]1CC[C@@](O)(CNc2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000680830819 545435486 /nfs/dbraw/zinc/43/54/86/545435486.db2.gz PKTYOIPYFIFFQH-CYBMUJFWSA-N 2 2 274.328 0.141 20 0 CCADLP C[N@H+]1CC[C@@](O)(CNc2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000680830819 545435487 /nfs/dbraw/zinc/43/54/87/545435487.db2.gz PKTYOIPYFIFFQH-CYBMUJFWSA-N 2 2 274.328 0.141 20 0 CCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000681205793 545445290 /nfs/dbraw/zinc/44/52/90/545445290.db2.gz MXIHKOZXWOLUFM-HUUCEWRRSA-N 2 2 296.459 0.613 20 0 CCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC000681205793 545445291 /nfs/dbraw/zinc/44/52/91/545445291.db2.gz MXIHKOZXWOLUFM-HUUCEWRRSA-N 2 2 296.459 0.613 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682460323 545479656 /nfs/dbraw/zinc/47/96/56/545479656.db2.gz QBOHXNQTWRBCJY-NWDGAFQWSA-N 2 2 273.340 0.847 20 0 CCADLP C[NH+](C)CCCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682498451 545480760 /nfs/dbraw/zinc/48/07/60/545480760.db2.gz CPMLNAZYGZXCJW-GFCCVEGCSA-N 2 2 264.373 0.904 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000682519407 545481942 /nfs/dbraw/zinc/48/19/42/545481942.db2.gz LCXKOILJKUHDOH-GFCCVEGCSA-N 2 2 276.384 0.998 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000682519407 545481943 /nfs/dbraw/zinc/48/19/43/545481943.db2.gz LCXKOILJKUHDOH-GFCCVEGCSA-N 2 2 276.384 0.998 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)c1nc(N2CCOCC2)cc[nH+]1 ZINC000683191223 545498020 /nfs/dbraw/zinc/49/80/20/545498020.db2.gz XPLRBERNEPFPTB-UHFFFAOYSA-N 2 2 274.328 0.673 20 0 CCADLP CC(C)C(=O)N1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000727931577 581341728 /nfs/dbraw/zinc/34/17/28/581341728.db2.gz PRHDQWNLTOJIQW-HNNXBMFYSA-N 2 2 297.443 0.633 20 0 CCADLP CC(C)C(=O)N1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000727931577 581341730 /nfs/dbraw/zinc/34/17/30/581341730.db2.gz PRHDQWNLTOJIQW-HNNXBMFYSA-N 2 2 297.443 0.633 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[NH+]1CCC(n2ccnc2)CC1 ZINC000750978225 581356313 /nfs/dbraw/zinc/35/63/13/581356313.db2.gz JHRSEJQWZZUXFG-OAHLLOKOSA-N 2 2 278.400 0.977 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000750978225 581356314 /nfs/dbraw/zinc/35/63/14/581356314.db2.gz JHRSEJQWZZUXFG-OAHLLOKOSA-N 3 2 278.400 0.977 20 0 CCADLP CN(C)c1cc[nH+]c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000753014705 581524438 /nfs/dbraw/zinc/52/44/38/581524438.db2.gz FNURVXCRTQKMGO-UHFFFAOYSA-N 2 2 278.356 0.808 20 0 CCADLP OCCC[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000734000617 581539115 /nfs/dbraw/zinc/53/91/15/581539115.db2.gz SGJAHYMUZXNTHQ-MRXNPFEDSA-N 2 2 278.396 0.986 20 0 CCADLP OCCC[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000734000617 581539118 /nfs/dbraw/zinc/53/91/18/581539118.db2.gz SGJAHYMUZXNTHQ-MRXNPFEDSA-N 2 2 278.396 0.986 20 0 CCADLP CON(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000753447339 581541836 /nfs/dbraw/zinc/54/18/36/581541836.db2.gz UFCSFYJTMADXSG-UHFFFAOYSA-N 2 2 284.404 0.748 20 0 CCADLP CC(=O)CC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000734486574 581565809 /nfs/dbraw/zinc/56/58/09/581565809.db2.gz HMZKQXRQSRFENX-AWEZNQCLSA-N 2 2 253.390 0.677 20 0 CCADLP CC(=O)CC[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000734486574 581565811 /nfs/dbraw/zinc/56/58/11/581565811.db2.gz HMZKQXRQSRFENX-AWEZNQCLSA-N 2 2 253.390 0.677 20 0 CCADLP COCCC[NH+]1CCC(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000352941291 581568949 /nfs/dbraw/zinc/56/89/49/581568949.db2.gz OVFIYGVSFGEQOV-UHFFFAOYSA-N 2 2 294.399 0.959 20 0 CCADLP COCCC[NH+]1CCC(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000352941291 581568954 /nfs/dbraw/zinc/56/89/54/581568954.db2.gz OVFIYGVSFGEQOV-UHFFFAOYSA-N 2 2 294.399 0.959 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000767448491 581614326 /nfs/dbraw/zinc/61/43/26/581614326.db2.gz FMVYLBKZIDDFBI-OAHLLOKOSA-N 3 2 280.416 0.970 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000767448491 581614328 /nfs/dbraw/zinc/61/43/28/581614328.db2.gz FMVYLBKZIDDFBI-OAHLLOKOSA-N 3 2 280.416 0.970 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000732150102 581805396 /nfs/dbraw/zinc/80/53/96/581805396.db2.gz WVBZORAAPZQYMY-CQSZACIVSA-N 2 2 293.415 0.334 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000732150102 581805402 /nfs/dbraw/zinc/80/54/02/581805402.db2.gz WVBZORAAPZQYMY-CQSZACIVSA-N 2 2 293.415 0.334 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000732150102 581805406 /nfs/dbraw/zinc/80/54/06/581805406.db2.gz WVBZORAAPZQYMY-CQSZACIVSA-N 2 2 293.415 0.334 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000732150102 581805411 /nfs/dbraw/zinc/80/54/11/581805411.db2.gz WVBZORAAPZQYMY-CQSZACIVSA-N 2 2 293.415 0.334 20 0 CCADLP O=C1OCCN1CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000732205055 581809027 /nfs/dbraw/zinc/80/90/27/581809027.db2.gz YNDRFLXSBIAJJF-UHFFFAOYSA-N 2 2 264.329 0.972 20 0 CCADLP Cc1cccc(NCCNC(=O)CC[NH+]2CCOCC2)[nH+]1 ZINC000743463169 581813287 /nfs/dbraw/zinc/81/32/87/581813287.db2.gz FCMGVNMICPFHOL-UHFFFAOYSA-N 2 2 292.383 0.640 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000761123085 581890454 /nfs/dbraw/zinc/89/04/54/581890454.db2.gz KCVHZSXUHRNQGQ-KBPBESRZSA-N 2 2 254.374 0.554 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCOC[C@H]1C1CC1 ZINC000761123085 581890456 /nfs/dbraw/zinc/89/04/56/581890456.db2.gz KCVHZSXUHRNQGQ-KBPBESRZSA-N 2 2 254.374 0.554 20 0 CCADLP C[C@@H](C[NH2+]C1CCN(C=O)CC1)C[NH+]1CCOCC1 ZINC000774202246 581964630 /nfs/dbraw/zinc/96/46/30/581964630.db2.gz QIOJEGJPLIAHCU-ZDUSSCGKSA-N 2 2 269.389 0.165 20 0 CCADLP C[NH+](C)[C@]1(C[NH2+]C2CCN(C=O)CC2)CCSC1 ZINC000774213444 581965558 /nfs/dbraw/zinc/96/55/58/581965558.db2.gz MHCHTIZXVNJUTF-ZDUSSCGKSA-N 2 2 271.430 0.634 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+](C)CN1CC(=O)N(C)C1=O ZINC000776202558 582059650 /nfs/dbraw/zinc/05/96/50/582059650.db2.gz UOZBIRITOLYUAB-UHFFFAOYSA-N 2 2 279.344 0.365 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+](C)CN1CC(=O)N(C)C1=O ZINC000776202558 582059653 /nfs/dbraw/zinc/05/96/53/582059653.db2.gz UOZBIRITOLYUAB-UHFFFAOYSA-N 2 2 279.344 0.365 20 0 CCADLP C[C@H](O)C[NH2+]C1CCC(N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000963955348 649914719 /nfs/dbraw/zinc/91/47/19/649914719.db2.gz LEFWHGFARVZMQQ-DCBWTQNWSA-N 2 2 294.399 0.692 20 0 CCADLP Fc1c(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cccc1-c1nn[nH]n1 ZINC000826370340 608387038 /nfs/dbraw/zinc/38/70/38/608387038.db2.gz NZEPZPVMGIHCMJ-GHMZBOCLSA-N 2 2 288.330 0.657 20 0 CCADLP CSC1(C[NH2+][C@@H]2C[NH2+]CCOC2)CCOCC1 ZINC000925571241 617205317 /nfs/dbraw/zinc/20/53/17/617205317.db2.gz BOVWRGNZZBNZMM-LLVKDONJSA-N 2 2 260.403 0.477 20 0 CCADLP CC(C)[NH2+][C@@H](C)[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CCO1 ZINC000979276041 613965663 /nfs/dbraw/zinc/96/56/63/613965663.db2.gz IKWJNPHSVDXRHP-QWHCGFSZSA-N 2 2 294.399 0.956 20 0 CCADLP CC(C)C[C@@H](C(N)=O)[N@H+](C)CCc1c[nH+]cn1C ZINC000880590347 614184272 /nfs/dbraw/zinc/18/42/72/614184272.db2.gz OAPBSRNVRAEJNP-LBPRGKRZSA-N 2 2 252.362 0.794 20 0 CCADLP CC(C)C[C@@H](C(N)=O)[N@@H+](C)CCc1c[nH+]cn1C ZINC000880590347 614184273 /nfs/dbraw/zinc/18/42/73/614184273.db2.gz OAPBSRNVRAEJNP-LBPRGKRZSA-N 2 2 252.362 0.794 20 0 CCADLP CC(C)C[C@@H]1C[N@H+](C)CCN1c1nc(N)[nH+]c(N)n1 ZINC000896651128 614202671 /nfs/dbraw/zinc/20/26/71/614202671.db2.gz QUHNKWXOXDSALF-SECBINFHSA-N 2 2 265.365 0.203 20 0 CCADLP CC(C)C[C@@H]1C[N@@H+](C)CCN1c1nc(N)[nH+]c(N)n1 ZINC000896651128 614202677 /nfs/dbraw/zinc/20/26/77/614202677.db2.gz QUHNKWXOXDSALF-SECBINFHSA-N 2 2 265.365 0.203 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+]C(C)(C)C(=O)N1CCCC1 ZINC000852004043 614264108 /nfs/dbraw/zinc/26/41/08/614264108.db2.gz ORZBLFWENRHOJL-CYBMUJFWSA-N 2 2 285.432 0.678 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)C(=O)N1CCCC1 ZINC000852004043 614264112 /nfs/dbraw/zinc/26/41/12/614264112.db2.gz ORZBLFWENRHOJL-CYBMUJFWSA-N 2 2 285.432 0.678 20 0 CCADLP CC(C)[NH+]1CCN(CCC[NH2+][C@]2(C)CCOC2=O)CC1 ZINC000810095496 614362424 /nfs/dbraw/zinc/36/24/24/614362424.db2.gz NQNCQCZIMCLHAD-OAHLLOKOSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[C@H]1C(=O)NCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903755356 614438813 /nfs/dbraw/zinc/43/88/13/614438813.db2.gz FZMIMIVPBSRLQJ-STQMWFEESA-N 2 2 253.390 0.977 20 0 CCADLP CCC[C@H]1C(=O)NCC[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903755356 614438817 /nfs/dbraw/zinc/43/88/17/614438817.db2.gz FZMIMIVPBSRLQJ-STQMWFEESA-N 2 2 253.390 0.977 20 0 CCADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000876755380 613191806 /nfs/dbraw/zinc/19/18/06/613191806.db2.gz YNADWCILFJUMME-KOABKASLSA-N 2 2 295.427 0.625 20 0 CCADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000876755380 613191808 /nfs/dbraw/zinc/19/18/08/613191808.db2.gz YNADWCILFJUMME-KOABKASLSA-N 2 2 295.427 0.625 20 0 CCADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000876755627 613193135 /nfs/dbraw/zinc/19/31/35/613193135.db2.gz LSMJOSUOWIKZSK-BEPHGVJPSA-N 2 2 295.427 0.624 20 0 CCADLP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903872191 613227009 /nfs/dbraw/zinc/22/70/09/613227009.db2.gz WYOASWLPQBCBFG-ZNMIVQPWSA-N 3 2 265.401 0.583 20 0 CCADLP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903872191 613227010 /nfs/dbraw/zinc/22/70/10/613227010.db2.gz WYOASWLPQBCBFG-ZNMIVQPWSA-N 3 2 265.401 0.583 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC[C@@H]([NH2+][C@@H]2CCOC2)C1 ZINC000883369833 613231109 /nfs/dbraw/zinc/23/11/09/613231109.db2.gz AHPNCDWOCRUALU-HUUCEWRRSA-N 2 2 283.416 0.162 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC[C@@H]([NH2+][C@H]2CCSC2)C1 ZINC000883369006 613231996 /nfs/dbraw/zinc/23/19/96/613231996.db2.gz HJISQCVVVUPNLM-CABCVRRESA-N 2 2 299.484 0.878 20 0 CCADLP C/C(=C\C(=O)NC[C@H]1CC[N@H+]1C)C[NH+]1CCOCC1 ZINC000928550938 613257465 /nfs/dbraw/zinc/25/74/65/613257465.db2.gz JOACXHLATKRLAP-CNELAYHGSA-N 2 2 267.373 0.085 20 0 CCADLP C/C(=C\C(=O)NC[C@H]1CC[N@@H+]1C)C[NH+]1CCOCC1 ZINC000928550938 613257466 /nfs/dbraw/zinc/25/74/66/613257466.db2.gz JOACXHLATKRLAP-CNELAYHGSA-N 2 2 267.373 0.085 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N1CC[C@H]([N@H+](C)CCO)C1 ZINC000971784532 617327129 /nfs/dbraw/zinc/32/71/29/617327129.db2.gz KOISMILQDCTCPP-ZDUSSCGKSA-N 2 2 293.367 0.158 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N1CC[C@H]([N@@H+](C)CCO)C1 ZINC000971784532 617327131 /nfs/dbraw/zinc/32/71/31/617327131.db2.gz KOISMILQDCTCPP-ZDUSSCGKSA-N 2 2 293.367 0.158 20 0 CCADLP CC(=O)NCCCCC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000930066332 613722276 /nfs/dbraw/zinc/72/22/76/613722276.db2.gz DYKVKVUQMKCYAQ-UHFFFAOYSA-N 2 2 293.415 0.849 20 0 CCADLP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000904429218 613914705 /nfs/dbraw/zinc/91/47/05/613914705.db2.gz ZUMNBAGLCJIFLT-VXGBXAGGSA-N 2 2 291.461 0.750 20 0 CCADLP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000904429218 613914707 /nfs/dbraw/zinc/91/47/07/613914707.db2.gz ZUMNBAGLCJIFLT-VXGBXAGGSA-N 2 2 291.461 0.750 20 0 CCADLP CC(C)[NH2+]C1CC[NH+](C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC000929960560 613944097 /nfs/dbraw/zinc/94/40/97/613944097.db2.gz HCWIYBBTAZHIJW-LSDHHAIUSA-N 2 2 286.416 0.351 20 0 CCADLP CC(C)[NH2+]CC1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC000962537349 613945814 /nfs/dbraw/zinc/94/58/14/613945814.db2.gz RIQCAQNIEUZSIK-UHFFFAOYSA-N 2 2 264.373 0.855 20 0 CCADLP CC(C)(C[NH+]1CCCC1)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868807356 614089135 /nfs/dbraw/zinc/08/91/35/614089135.db2.gz OQZBTALVBPFEDD-WAYWQWQTSA-N 2 2 295.427 0.865 20 0 CCADLP CC(C)(CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)n1cc[nH+]c1 ZINC000898904107 614107194 /nfs/dbraw/zinc/10/71/94/614107194.db2.gz AJSWHLHCQXZIIJ-CYBMUJFWSA-N 2 2 291.399 0.124 20 0 CCADLP CC(C)(CNC(=O)[C@H]1C[N@H+]2CCN1CCC2)n1cc[nH+]c1 ZINC000898904107 614107196 /nfs/dbraw/zinc/10/71/96/614107196.db2.gz AJSWHLHCQXZIIJ-CYBMUJFWSA-N 2 2 291.399 0.124 20 0 CCADLP CC(C)[C@@H]1COCC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000924839694 614164668 /nfs/dbraw/zinc/16/46/68/614164668.db2.gz OHUMQFDWKPQGEO-UONOGXRCSA-N 2 2 283.416 0.411 20 0 CCADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCO2)C1 ZINC000877665423 614192025 /nfs/dbraw/zinc/19/20/25/614192025.db2.gz VAIAEVMFYFXABY-QWHCGFSZSA-N 2 2 256.390 0.990 20 0 CCADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCO2)C1 ZINC000877665423 614192027 /nfs/dbraw/zinc/19/20/27/614192027.db2.gz VAIAEVMFYFXABY-QWHCGFSZSA-N 2 2 256.390 0.990 20 0 CCADLP CC(=O)[C@](C)(O)C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880474850 614243696 /nfs/dbraw/zinc/24/36/96/614243696.db2.gz MPCRROYIBFVOOS-CQSZACIVSA-N 2 2 254.374 0.887 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000934593993 614340116 /nfs/dbraw/zinc/34/01/16/614340116.db2.gz TXKPFXCLCFGHRW-LSDHHAIUSA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000934593993 614340118 /nfs/dbraw/zinc/34/01/18/614340118.db2.gz TXKPFXCLCFGHRW-LSDHHAIUSA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000821386526 614346220 /nfs/dbraw/zinc/34/62/20/614346220.db2.gz UBSZNDZCEDGKPV-WCQYABFASA-N 2 2 262.357 0.797 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000821386526 614346222 /nfs/dbraw/zinc/34/62/22/614346222.db2.gz UBSZNDZCEDGKPV-WCQYABFASA-N 2 2 262.357 0.797 20 0 CCADLP CCCCOC(=O)[C@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000843349285 614442984 /nfs/dbraw/zinc/44/29/84/614442984.db2.gz RMBZPGJEFIMSQX-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP CCCCOC(=O)[C@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000843349285 614442987 /nfs/dbraw/zinc/44/29/87/614442987.db2.gz RMBZPGJEFIMSQX-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[N@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972612494 614531126 /nfs/dbraw/zinc/53/11/26/614531126.db2.gz LPZUKKUHOPIKRH-LLVKDONJSA-N 2 2 250.346 0.895 20 0 CCADLP CCC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972612494 614531128 /nfs/dbraw/zinc/53/11/28/614531128.db2.gz LPZUKKUHOPIKRH-LLVKDONJSA-N 2 2 250.346 0.895 20 0 CCADLP CC1(C)CC[N@H+](CCNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000890072468 614541638 /nfs/dbraw/zinc/54/16/38/614541638.db2.gz UZXPNGDOBJKAIL-ONEGZZNKSA-N 2 2 295.427 0.723 20 0 CCADLP CC1(C)CC[N@@H+](CCNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000890072468 614541641 /nfs/dbraw/zinc/54/16/41/614541641.db2.gz UZXPNGDOBJKAIL-ONEGZZNKSA-N 2 2 295.427 0.723 20 0 CCADLP CC1(C)C[N@H+](CCF)C[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000977592590 614649026 /nfs/dbraw/zinc/64/90/26/614649026.db2.gz DZGCENWJTRCFCE-LBPRGKRZSA-N 2 2 271.380 0.878 20 0 CCADLP CC1(C)C[N@@H+](CCF)C[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000977592590 614649027 /nfs/dbraw/zinc/64/90/27/614649027.db2.gz DZGCENWJTRCFCE-LBPRGKRZSA-N 2 2 271.380 0.878 20 0 CCADLP CC1(C)NC(=O)N(CCC[N@@H+]2CC[C@H]3CC[C@@]32C[NH3+])C1=O ZINC000903853831 614803705 /nfs/dbraw/zinc/80/37/05/614803705.db2.gz HCLAICIDBIVVDL-IAQYHMDHSA-N 2 2 294.399 0.520 20 0 CCADLP CC1(C)NC(=O)N(CCC[N@H+]2CC[C@H]3CC[C@@]32C[NH3+])C1=O ZINC000903853831 614803706 /nfs/dbraw/zinc/80/37/06/614803706.db2.gz HCLAICIDBIVVDL-IAQYHMDHSA-N 2 2 294.399 0.520 20 0 CCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC000925524775 614807189 /nfs/dbraw/zinc/80/71/89/614807189.db2.gz ZFKCYZJIBTWVHP-ZDUSSCGKSA-N 2 2 277.368 0.781 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC([C@@H]2COC(=O)N2)CC1 ZINC000932774169 614850170 /nfs/dbraw/zinc/85/01/70/614850170.db2.gz UMIIITOJEGSWOB-OLZOCXBDSA-N 2 2 285.388 0.119 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC([C@@H]2COC(=O)N2)CC1 ZINC000932774169 614850173 /nfs/dbraw/zinc/85/01/73/614850173.db2.gz UMIIITOJEGSWOB-OLZOCXBDSA-N 2 2 285.388 0.119 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](Nc2ncccn2)C1 ZINC000903025018 614850431 /nfs/dbraw/zinc/85/04/31/614850431.db2.gz ZWKOSRASJINLDZ-QWHCGFSZSA-N 2 2 279.388 0.275 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](Nc2ncccn2)C1 ZINC000903025018 614850433 /nfs/dbraw/zinc/85/04/33/614850433.db2.gz ZWKOSRASJINLDZ-QWHCGFSZSA-N 2 2 279.388 0.275 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903025018 614850435 /nfs/dbraw/zinc/85/04/35/614850435.db2.gz ZWKOSRASJINLDZ-QWHCGFSZSA-N 2 2 279.388 0.275 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903025018 614850436 /nfs/dbraw/zinc/85/04/36/614850436.db2.gz ZWKOSRASJINLDZ-QWHCGFSZSA-N 2 2 279.388 0.275 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2nccn2C)C1 ZINC000846878228 614850486 /nfs/dbraw/zinc/85/04/86/614850486.db2.gz GDIHWAWSXXHNQV-UONOGXRCSA-N 2 2 280.416 0.912 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2nccn2C)C1 ZINC000846878228 614850489 /nfs/dbraw/zinc/85/04/89/614850489.db2.gz GDIHWAWSXXHNQV-UONOGXRCSA-N 2 2 280.416 0.912 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](c2nccn2C)C1 ZINC000846878228 614850491 /nfs/dbraw/zinc/85/04/91/614850491.db2.gz GDIHWAWSXXHNQV-UONOGXRCSA-N 2 2 280.416 0.912 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](c2nccn2C)C1 ZINC000846878228 614850492 /nfs/dbraw/zinc/85/04/92/614850492.db2.gz GDIHWAWSXXHNQV-UONOGXRCSA-N 2 2 280.416 0.912 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C(=O)OC)C[C@@H]1C ZINC000933169081 614850767 /nfs/dbraw/zinc/85/07/67/614850767.db2.gz AOYSNCUVZVKPTC-RWMBFGLXSA-N 2 2 272.389 0.573 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C(=O)OC)C[C@@H]1C ZINC000933169081 614850770 /nfs/dbraw/zinc/85/07/70/614850770.db2.gz AOYSNCUVZVKPTC-RWMBFGLXSA-N 2 2 272.389 0.573 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](C(=O)OC)C[C@@H]1C ZINC000933169081 614850773 /nfs/dbraw/zinc/85/07/73/614850773.db2.gz AOYSNCUVZVKPTC-RWMBFGLXSA-N 2 2 272.389 0.573 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](C(=O)OC)C[C@@H]1C ZINC000933169081 614850775 /nfs/dbraw/zinc/85/07/75/614850775.db2.gz AOYSNCUVZVKPTC-RWMBFGLXSA-N 2 2 272.389 0.573 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000932129471 614851499 /nfs/dbraw/zinc/85/14/99/614851499.db2.gz BQXVZRBXCNWMDT-UONOGXRCSA-N 2 2 280.416 0.912 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000932129471 614851502 /nfs/dbraw/zinc/85/15/02/614851502.db2.gz BQXVZRBXCNWMDT-UONOGXRCSA-N 2 2 280.416 0.912 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000932129471 614851504 /nfs/dbraw/zinc/85/15/04/614851504.db2.gz BQXVZRBXCNWMDT-UONOGXRCSA-N 2 2 280.416 0.912 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000932129471 614851507 /nfs/dbraw/zinc/85/15/07/614851507.db2.gz BQXVZRBXCNWMDT-UONOGXRCSA-N 2 2 280.416 0.912 20 0 CCADLP CC[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC000960979002 614855567 /nfs/dbraw/zinc/85/55/67/614855567.db2.gz NAOVUQFJLNGKNP-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC000960979002 614855568 /nfs/dbraw/zinc/85/55/68/614855568.db2.gz NAOVUQFJLNGKNP-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP CCCNC(=O)[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903435185 614870639 /nfs/dbraw/zinc/87/06/39/614870639.db2.gz QLOQXCSWFHPZAK-CHWSQXEVSA-N 2 2 253.390 0.977 20 0 CCADLP CCCNC(=O)[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903435185 614870642 /nfs/dbraw/zinc/87/06/42/614870642.db2.gz QLOQXCSWFHPZAK-CHWSQXEVSA-N 2 2 253.390 0.977 20 0 CCADLP CCC[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000939400422 614916605 /nfs/dbraw/zinc/91/66/05/614916605.db2.gz NJHFHUBCFXLNOJ-QWRGUYRKSA-N 2 2 250.346 0.799 20 0 CCADLP CCCC[N@H+](C)CCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865746751 614949105 /nfs/dbraw/zinc/94/91/05/614949105.db2.gz UTZVGHWBANYLDR-AATRIKPKSA-N 2 2 283.416 0.723 20 0 CCADLP CCCC[N@@H+](C)CCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865746751 614949107 /nfs/dbraw/zinc/94/91/07/614949107.db2.gz UTZVGHWBANYLDR-AATRIKPKSA-N 2 2 283.416 0.723 20 0 CCADLP CCCS(=O)(=O)CC[NH2+][C@](C)(C[NH3+])C(C)C ZINC000843355929 614963308 /nfs/dbraw/zinc/96/33/08/614963308.db2.gz MXIPKMDICIEVNZ-LLVKDONJSA-N 2 2 250.408 0.774 20 0 CCADLP CCCS(=O)(=O)CC[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000843355930 614963537 /nfs/dbraw/zinc/96/35/37/614963537.db2.gz MXIPKMDICIEVNZ-NSHDSACASA-N 2 2 250.408 0.774 20 0 CCADLP CC[N@H+](C[C@H](O)CO)CC1CCN(c2cccc[nH+]2)CC1 ZINC000929755464 615020635 /nfs/dbraw/zinc/02/06/35/615020635.db2.gz MIWVWNANIDEAMQ-HNNXBMFYSA-N 2 2 293.411 0.973 20 0 CCADLP CC[N@@H+](C[C@H](O)CO)CC1CCN(c2cccc[nH+]2)CC1 ZINC000929755464 615020636 /nfs/dbraw/zinc/02/06/36/615020636.db2.gz MIWVWNANIDEAMQ-HNNXBMFYSA-N 2 2 293.411 0.973 20 0 CCADLP CCN(C(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1C[NH+](CC)C1 ZINC000950381215 615081756 /nfs/dbraw/zinc/08/17/56/615081756.db2.gz MSNPUMYBHMENNZ-JSGCOSHPSA-N 2 2 281.400 0.402 20 0 CCADLP CCN(C(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1C[NH+](CC)C1 ZINC000950381215 615081757 /nfs/dbraw/zinc/08/17/57/615081757.db2.gz MSNPUMYBHMENNZ-JSGCOSHPSA-N 2 2 281.400 0.402 20 0 CCADLP CCN(C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)C1C[NH+](CC)C1 ZINC000950924721 615081815 /nfs/dbraw/zinc/08/18/15/615081815.db2.gz ZHDQBECXEVBTOP-UGWHAMFMSA-N 2 2 293.411 0.402 20 0 CCADLP CCN(C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)C1C[NH+](CC)C1 ZINC000950924721 615081817 /nfs/dbraw/zinc/08/18/17/615081817.db2.gz ZHDQBECXEVBTOP-UGWHAMFMSA-N 2 2 293.411 0.402 20 0 CCADLP CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000984089614 615094429 /nfs/dbraw/zinc/09/44/29/615094429.db2.gz HIJHZNTVSARLSM-AVGNSLFASA-N 2 2 276.384 0.950 20 0 CCADLP CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000939536804 615124714 /nfs/dbraw/zinc/12/47/14/615124714.db2.gz XEEYLBRPHLDTSO-CMPLNLGQSA-N 2 2 250.346 0.419 20 0 CCADLP CCN1CCC[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1=O ZINC000903389110 615142971 /nfs/dbraw/zinc/14/29/71/615142971.db2.gz SBZRXOQMPUSNKB-GJZGRUSLSA-N 2 2 295.427 0.840 20 0 CCADLP CCN1CCC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1=O ZINC000903389109 615143005 /nfs/dbraw/zinc/14/30/05/615143005.db2.gz SBZRXOQMPUSNKB-CABCVRRESA-N 2 2 295.427 0.840 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CNC(=S)NCCc1cn(C)c[nH+]1 ZINC000840841347 615146013 /nfs/dbraw/zinc/14/60/13/615146013.db2.gz ADMPLPCYEPVNFC-ZDUSSCGKSA-N 2 2 295.456 0.911 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNC(=S)NCCc1cn(C)c[nH+]1 ZINC000840841347 615146014 /nfs/dbraw/zinc/14/60/14/615146014.db2.gz ADMPLPCYEPVNFC-ZDUSSCGKSA-N 2 2 295.456 0.911 20 0 CCADLP CCOC(C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1)OCC ZINC000878866018 615203323 /nfs/dbraw/zinc/20/33/23/615203323.db2.gz PVBJXWJKNFAFPG-AWEZNQCLSA-N 2 2 274.405 0.774 20 0 CCADLP CCOC(C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1)OCC ZINC000878866018 615203325 /nfs/dbraw/zinc/20/33/25/615203325.db2.gz PVBJXWJKNFAFPG-AWEZNQCLSA-N 2 2 274.405 0.774 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000883336644 615252614 /nfs/dbraw/zinc/25/26/14/615252614.db2.gz RAXCMULSSYYZGP-BFHYXJOUSA-N 2 2 298.431 0.489 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000883336644 615252616 /nfs/dbraw/zinc/25/26/16/615252616.db2.gz RAXCMULSSYYZGP-BFHYXJOUSA-N 2 2 298.431 0.489 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945809182 615282637 /nfs/dbraw/zinc/28/26/37/615282637.db2.gz RTUKWXJVCYLQKB-NEPJUHHUSA-N 2 2 250.346 0.730 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945809182 615282638 /nfs/dbraw/zinc/28/26/38/615282638.db2.gz RTUKWXJVCYLQKB-NEPJUHHUSA-N 2 2 250.346 0.730 20 0 CCADLP CCOCC[C@H](O)C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517540 615300855 /nfs/dbraw/zinc/30/08/55/615300855.db2.gz ATOCDCFUOSRBES-NSHDSACASA-N 2 2 265.357 0.809 20 0 CCADLP CCOCC[C@H](O)C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517540 615300858 /nfs/dbraw/zinc/30/08/58/615300858.db2.gz ATOCDCFUOSRBES-NSHDSACASA-N 2 2 265.357 0.809 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000882488795 615323717 /nfs/dbraw/zinc/32/37/17/615323717.db2.gz IQIASOVZVXQUPJ-RYUDHWBXSA-N 2 2 271.430 0.634 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000882488795 615323720 /nfs/dbraw/zinc/32/37/20/615323720.db2.gz IQIASOVZVXQUPJ-RYUDHWBXSA-N 2 2 271.430 0.634 20 0 CCADLP CCON(CC)C(=O)C[NH2+]C1CC[NH+](CC)CC1 ZINC000862453101 615348947 /nfs/dbraw/zinc/34/89/47/615348947.db2.gz QZBJNWAIUHRBGF-UHFFFAOYSA-N 2 2 257.378 0.860 20 0 CCADLP CC[C@@H](C(=O)NCC[N@@H+]1CCOC[C@H]1CC)[NH+](C)C ZINC000874704729 615380831 /nfs/dbraw/zinc/38/08/31/615380831.db2.gz MMDLPYYXWHIVEM-OLZOCXBDSA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@@H](C(=O)NCC[N@H+]1CCOC[C@H]1CC)[NH+](C)C ZINC000874704729 615380833 /nfs/dbraw/zinc/38/08/33/615380833.db2.gz MMDLPYYXWHIVEM-OLZOCXBDSA-N 2 2 271.405 0.554 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902432387 615388582 /nfs/dbraw/zinc/38/85/82/615388582.db2.gz HEOYQOXOJDKCJH-YJNKXOJESA-N 2 2 289.379 0.494 20 0 CCADLP CCO[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C[NH+](C)C ZINC000831722760 615405725 /nfs/dbraw/zinc/40/57/25/615405725.db2.gz BFFRCAJIHITKME-LBPRGKRZSA-N 2 2 268.361 0.425 20 0 CCADLP CCO[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)C[NH+](C)C ZINC000831722760 615405727 /nfs/dbraw/zinc/40/57/27/615405727.db2.gz BFFRCAJIHITKME-LBPRGKRZSA-N 2 2 268.361 0.425 20 0 CCADLP CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC000978316493 615432367 /nfs/dbraw/zinc/43/23/67/615432367.db2.gz FATGYEUXDYYQRM-VEGXAWMVSA-N 2 2 274.368 0.827 20 0 CCADLP CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC000978316493 615432369 /nfs/dbraw/zinc/43/23/69/615432369.db2.gz FATGYEUXDYYQRM-VEGXAWMVSA-N 2 2 274.368 0.827 20 0 CCADLP CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC000978316493 615432371 /nfs/dbraw/zinc/43/23/71/615432371.db2.gz FATGYEUXDYYQRM-VEGXAWMVSA-N 2 2 274.368 0.827 20 0 CCADLP CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC000978316493 615432373 /nfs/dbraw/zinc/43/23/73/615432373.db2.gz FATGYEUXDYYQRM-VEGXAWMVSA-N 2 2 274.368 0.827 20 0 CCADLP CCO[C@@H]1C[C@@H](O)C12CC[NH+](C[C@H]1CCC[NH2+]1)CC2 ZINC000903439541 615436661 /nfs/dbraw/zinc/43/66/61/615436661.db2.gz JYNQLOCBUPEZHS-MGPQQGTHSA-N 2 2 268.401 0.990 20 0 CCADLP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000960649387 615438970 /nfs/dbraw/zinc/43/89/70/615438970.db2.gz PNKDGDHRLZUHIS-ZZVYKPCYSA-N 2 2 274.368 0.512 20 0 CCADLP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000960649387 615438972 /nfs/dbraw/zinc/43/89/72/615438972.db2.gz PNKDGDHRLZUHIS-ZZVYKPCYSA-N 2 2 274.368 0.512 20 0 CCADLP CC[N@H+]1[C@H](C)CN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)C[C@@H]1C ZINC000864084452 615451119 /nfs/dbraw/zinc/45/11/19/615451119.db2.gz SHZIOEVKILIYGZ-XFMPKHEZSA-N 2 2 283.416 0.383 20 0 CCADLP CC[N@@H+]1[C@H](C)CN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)C[C@@H]1C ZINC000864084452 615451122 /nfs/dbraw/zinc/45/11/22/615451122.db2.gz SHZIOEVKILIYGZ-XFMPKHEZSA-N 2 2 283.416 0.383 20 0 CCADLP CC[NH+]1[C@H](C)CN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)C[C@@H]1C ZINC000864084452 615451124 /nfs/dbraw/zinc/45/11/24/615451124.db2.gz SHZIOEVKILIYGZ-XFMPKHEZSA-N 2 2 283.416 0.383 20 0 CCADLP CC[NH+]1[C@H](C)CN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)C[C@@H]1C ZINC000864084452 615451125 /nfs/dbraw/zinc/45/11/25/615451125.db2.gz SHZIOEVKILIYGZ-XFMPKHEZSA-N 2 2 283.416 0.383 20 0 CCADLP CCO[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C[NH+](C)C ZINC000831712692 615482834 /nfs/dbraw/zinc/48/28/34/615482834.db2.gz FAUSKFOZHZXNSU-CHWSQXEVSA-N 2 2 294.399 0.528 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(c2nc(N)cc(C)[nH+]2)CC1 ZINC000892712537 615489274 /nfs/dbraw/zinc/48/92/74/615489274.db2.gz OBTWRTBKFIYWRA-NSHDSACASA-N 2 2 265.361 0.260 20 0 CCADLP CCO[C@H]1C[C@@H](O)C12CC[NH+](C[C@H]1CCC[NH2+]1)CC2 ZINC000903439540 615494252 /nfs/dbraw/zinc/49/42/52/615494252.db2.gz JYNQLOCBUPEZHS-MCIONIFRSA-N 2 2 268.401 0.990 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CC(C)C ZINC000877433078 615568087 /nfs/dbraw/zinc/56/80/87/615568087.db2.gz ITCNEBBQOKAJFM-OLZOCXBDSA-N 2 2 271.405 0.587 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CC(C)C ZINC000877433078 615568088 /nfs/dbraw/zinc/56/80/88/615568088.db2.gz ITCNEBBQOKAJFM-OLZOCXBDSA-N 2 2 271.405 0.587 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000877433731 615568260 /nfs/dbraw/zinc/56/82/60/615568260.db2.gz HYPSRLWYJRGSIM-NEPJUHHUSA-N 2 2 269.389 0.211 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000877433731 615568261 /nfs/dbraw/zinc/56/82/61/615568261.db2.gz HYPSRLWYJRGSIM-NEPJUHHUSA-N 2 2 269.389 0.211 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000877433275 615568377 /nfs/dbraw/zinc/56/83/77/615568377.db2.gz NUHUFHMUNHMIHG-CHWSQXEVSA-N 2 2 269.389 0.213 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000877433275 615568378 /nfs/dbraw/zinc/56/83/78/615568378.db2.gz NUHUFHMUNHMIHG-CHWSQXEVSA-N 2 2 269.389 0.213 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000877432715 615568870 /nfs/dbraw/zinc/56/88/70/615568870.db2.gz FXCJGJLHXCFKNW-ZIAGYGMSSA-N 2 2 297.443 0.992 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000877432715 615568871 /nfs/dbraw/zinc/56/88/71/615568871.db2.gz FXCJGJLHXCFKNW-ZIAGYGMSSA-N 2 2 297.443 0.992 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N[C@H](C)[C@H]2CN(C)CC[NH+]2C)CC[N@@H+]1C ZINC000896533217 615585557 /nfs/dbraw/zinc/58/55/57/615585557.db2.gz GHLDDGSMQITDBV-LXTVHRRPSA-N 2 2 296.459 0.467 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N[C@H](C)[C@H]2CN(C)CC[NH+]2C)CC[N@H+]1C ZINC000896533217 615585558 /nfs/dbraw/zinc/58/55/58/615585558.db2.gz GHLDDGSMQITDBV-LXTVHRRPSA-N 2 2 296.459 0.467 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)CC[NH+]1C ZINC000896533217 615585559 /nfs/dbraw/zinc/58/55/59/615585559.db2.gz GHLDDGSMQITDBV-LXTVHRRPSA-N 2 2 296.459 0.467 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)CC[NH+]1C ZINC000896533217 615585560 /nfs/dbraw/zinc/58/55/60/615585560.db2.gz GHLDDGSMQITDBV-LXTVHRRPSA-N 2 2 296.459 0.467 20 0 CCADLP CCn1cnc2c1CC[N@H+](C[C@@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000923558710 615629435 /nfs/dbraw/zinc/62/94/35/615629435.db2.gz TXGZFDNGNPOMCE-LBPRGKRZSA-N 2 2 276.384 0.782 20 0 CCADLP CCn1cnc2c1CC[N@@H+](C[C@@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000923558710 615629437 /nfs/dbraw/zinc/62/94/37/615629437.db2.gz TXGZFDNGNPOMCE-LBPRGKRZSA-N 2 2 276.384 0.782 20 0 CCADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872203691 615711545 /nfs/dbraw/zinc/71/15/45/615711545.db2.gz AVXCBVIMGRTZAS-OLZOCXBDSA-N 2 2 258.406 0.972 20 0 CCADLP CCc1nc(CN2CC[NH+](C[C@@H]3C[NH2+]C[C@H]3C)CC2)no1 ZINC000903445105 615742445 /nfs/dbraw/zinc/74/24/45/615742445.db2.gz YHXULAWQGNZFPQ-OLZOCXBDSA-N 2 2 293.415 0.605 20 0 CCADLP CC[C@H]([NH2+]C[C@@H](O)c1ccnn1C)[C@H]1CCCC[NH2+]1 ZINC000925891927 615818344 /nfs/dbraw/zinc/81/83/44/615818344.db2.gz YVKYLMGEPFDNAJ-OUCADQQQSA-N 2 2 266.389 0.964 20 0 CCADLP C[NH+](C)C1(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000928078271 615844244 /nfs/dbraw/zinc/84/42/44/615844244.db2.gz DTZRAIFDJASXCU-NWDGAFQWSA-N 2 2 283.441 0.777 20 0 CCADLP C[NH+](C)C1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000854964106 615855153 /nfs/dbraw/zinc/85/51/53/615855153.db2.gz VMLIFMGTGZIPBF-UHFFFAOYSA-N 2 2 250.346 0.941 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000880504053 615865519 /nfs/dbraw/zinc/86/55/19/615865519.db2.gz ZPQSIUSMTVVBRV-VXGBXAGGSA-N 2 2 269.389 0.164 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)/C=C\C1CCOCC1 ZINC000855414358 615878421 /nfs/dbraw/zinc/87/84/21/615878421.db2.gz CGWGDXRZUQTOKV-WAYWQWQTSA-N 2 2 297.443 0.969 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)/C=C\C1CCOCC1 ZINC000855414358 615878423 /nfs/dbraw/zinc/87/84/23/615878423.db2.gz CGWGDXRZUQTOKV-WAYWQWQTSA-N 2 2 297.443 0.969 20 0 CCADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865177304 615896036 /nfs/dbraw/zinc/89/60/36/615896036.db2.gz DORYGLINVCFCPA-YPMHNXCESA-N 2 2 296.371 0.012 20 0 CCADLP C[NH+](C)CCONC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000854945284 615908926 /nfs/dbraw/zinc/90/89/26/615908926.db2.gz FFKBORFBVOZDMH-UHFFFAOYSA-N 2 2 275.312 0.490 20 0 CCADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000909212521 615912180 /nfs/dbraw/zinc/91/21/80/615912180.db2.gz NTVPYMJLLWFEBS-LBPRGKRZSA-N 2 2 250.346 0.895 20 0 CCADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000909212521 615912182 /nfs/dbraw/zinc/91/21/82/615912182.db2.gz NTVPYMJLLWFEBS-LBPRGKRZSA-N 2 2 250.346 0.895 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C1CC[NH2+]CC1 ZINC000877432256 615922853 /nfs/dbraw/zinc/92/28/53/615922853.db2.gz CESBSASUGINUOM-ZDUSSCGKSA-N 2 2 269.389 0.213 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C1CC[NH2+]CC1 ZINC000877432256 615922854 /nfs/dbraw/zinc/92/28/54/615922854.db2.gz CESBSASUGINUOM-ZDUSSCGKSA-N 2 2 269.389 0.213 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000877432172 615927449 /nfs/dbraw/zinc/92/74/49/615927449.db2.gz BDOOYHBQKDSGGN-QWHCGFSZSA-N 2 2 269.389 0.356 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000877432172 615927450 /nfs/dbraw/zinc/92/74/50/615927450.db2.gz BDOOYHBQKDSGGN-QWHCGFSZSA-N 2 2 269.389 0.356 20 0 CCADLP Cn1ncc2cc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cnc21 ZINC000865507829 615936045 /nfs/dbraw/zinc/93/60/45/615936045.db2.gz JGZSGTZNSXDKKZ-AWEZNQCLSA-N 2 2 277.372 0.371 20 0 CCADLP Cn1nc2c(c1C[NH2+]C[C@](C)(O)C[NH+](C)C)CCC2 ZINC000921931009 615936069 /nfs/dbraw/zinc/93/60/69/615936069.db2.gz YCYRPXZUNGXBSF-AWEZNQCLSA-N 2 2 266.389 0.311 20 0 CCADLP CN(C(=O)c1n[nH]c2c1C[NH2+]CC2)C1(C[NH3+])CCC1 ZINC000843485058 615936992 /nfs/dbraw/zinc/93/69/92/615936992.db2.gz ORUDVVOTFGDDNY-UHFFFAOYSA-N 2 2 263.345 0.009 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@@H]2COC(C)(C)O2)C1 ZINC000878864995 615937464 /nfs/dbraw/zinc/93/74/64/615937464.db2.gz CIYLDWJFWPDPMQ-OCCSQVGLSA-N 2 2 272.389 0.526 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@@H]2COC(C)(C)O2)C1 ZINC000878864995 615937467 /nfs/dbraw/zinc/93/74/67/615937467.db2.gz CIYLDWJFWPDPMQ-OCCSQVGLSA-N 2 2 272.389 0.526 20 0 CCADLP Cn1[nH]c(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)nc1=O ZINC000859213604 615954181 /nfs/dbraw/zinc/95/41/81/615954181.db2.gz ZGSOPKFXKDJLJA-UHFFFAOYSA-N 2 2 289.383 0.802 20 0 CCADLP Cn1[nH]c(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)nc1=O ZINC000859213604 615954182 /nfs/dbraw/zinc/95/41/82/615954182.db2.gz ZGSOPKFXKDJLJA-UHFFFAOYSA-N 2 2 289.383 0.802 20 0 CCADLP C[NH+](C)[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1)C1CC1 ZINC000968912202 615972101 /nfs/dbraw/zinc/97/21/01/615972101.db2.gz CDWDGWAROWFWGK-DGCLKSJQSA-N 2 2 293.371 0.100 20 0 CCADLP CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[NH2+]C2(C)C)O1 ZINC000925628589 616002435 /nfs/dbraw/zinc/00/24/35/616002435.db2.gz DVPRTCLODAESHE-GRYCIOLGSA-N 2 2 269.389 0.352 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892573823 616076345 /nfs/dbraw/zinc/07/63/45/616076345.db2.gz NSNLJAIHRKVZDP-HAQNSBGRSA-N 2 2 265.361 0.652 20 0 CCADLP C[N@H+](CCF)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972430033 616078067 /nfs/dbraw/zinc/07/80/67/616078067.db2.gz XZTYBDOPGCKCMU-LLVKDONJSA-N 2 2 254.309 0.454 20 0 CCADLP C[N@@H+](CCF)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972430033 616078068 /nfs/dbraw/zinc/07/80/68/616078068.db2.gz XZTYBDOPGCKCMU-LLVKDONJSA-N 2 2 254.309 0.454 20 0 CCADLP C[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C[C@H]1CCCO1 ZINC000903879496 616098307 /nfs/dbraw/zinc/09/83/07/616098307.db2.gz CAGXEGRZAUQQAJ-TZMCWYRMSA-N 2 2 279.388 0.813 20 0 CCADLP C[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C[C@H]1CCCO1 ZINC000903879496 616098308 /nfs/dbraw/zinc/09/83/08/616098308.db2.gz CAGXEGRZAUQQAJ-TZMCWYRMSA-N 2 2 279.388 0.813 20 0 CCADLP C[N@H+](CCO)CCNc1cc(N2CCSCC2)[nH+]cn1 ZINC000884824938 616107992 /nfs/dbraw/zinc/10/79/92/616107992.db2.gz WQUDGDBJMPPCPY-UHFFFAOYSA-N 2 2 297.428 0.366 20 0 CCADLP C[N@@H+](CCO)CCNc1cc(N2CCSCC2)[nH+]cn1 ZINC000884824938 616107994 /nfs/dbraw/zinc/10/79/94/616107994.db2.gz WQUDGDBJMPPCPY-UHFFFAOYSA-N 2 2 297.428 0.366 20 0 CCADLP Cn1ccc(-c2nc(C[N@H+](C)CCOCC[NH3+])cs2)n1 ZINC000883437383 616115871 /nfs/dbraw/zinc/11/58/71/616115871.db2.gz QPEIAXPQWUTXEU-UHFFFAOYSA-N 2 2 295.412 0.951 20 0 CCADLP Cn1ccc(-c2nc(C[N@@H+](C)CCOCC[NH3+])cs2)n1 ZINC000883437383 616115874 /nfs/dbraw/zinc/11/58/74/616115874.db2.gz QPEIAXPQWUTXEU-UHFFFAOYSA-N 2 2 295.412 0.951 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@H](O)Cc1ccc(F)cc1)C1CC1 ZINC000905476402 616131940 /nfs/dbraw/zinc/13/19/40/616131940.db2.gz ZMVUHIRTBBYCHT-CVEARBPZSA-N 2 2 296.386 0.774 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H](O)Cc1ccc(F)cc1)C1CC1 ZINC000905476402 616131941 /nfs/dbraw/zinc/13/19/41/616131941.db2.gz ZMVUHIRTBBYCHT-CVEARBPZSA-N 2 2 296.386 0.774 20 0 CCADLP C[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1(C[NH3+])CCC1 ZINC000903750306 616147600 /nfs/dbraw/zinc/14/76/00/616147600.db2.gz XDBMBEUUINCJPX-QWHCGFSZSA-N 3 2 253.390 0.568 20 0 CCADLP C[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1(C[NH3+])CCC1 ZINC000903750306 616147602 /nfs/dbraw/zinc/14/76/02/616147602.db2.gz XDBMBEUUINCJPX-QWHCGFSZSA-N 3 2 253.390 0.568 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)C1CC1 ZINC000848679070 616149879 /nfs/dbraw/zinc/14/98/79/616149879.db2.gz QVRCGAJUQXRPRK-CHWSQXEVSA-N 2 2 283.372 0.014 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)C1CC1 ZINC000848679070 616149880 /nfs/dbraw/zinc/14/98/80/616149880.db2.gz QVRCGAJUQXRPRK-CHWSQXEVSA-N 2 2 283.372 0.014 20 0 CCADLP Cn1c[nH+]cc1CNC(=S)NCC1CC[NH+](C)CC1 ZINC000811702244 616170466 /nfs/dbraw/zinc/17/04/66/616170466.db2.gz YUTBLUYTNBZGNB-UHFFFAOYSA-N 2 2 281.429 0.726 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)OC3COC3)CC2)CC1 ZINC000902834927 616171926 /nfs/dbraw/zinc/17/19/26/616171926.db2.gz SBURNGPBUSZVOY-UHFFFAOYSA-N 2 2 297.399 0.670 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]([NH3+])CC3CC3)C2)CC1 ZINC000884220785 616172579 /nfs/dbraw/zinc/17/25/79/616172579.db2.gz BXBIIEKCWXTRKB-ZFWWWQNUSA-N 3 2 294.443 0.399 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]([NH3+])CC3CC3)C2)CC1 ZINC000884220785 616172580 /nfs/dbraw/zinc/17/25/80/616172580.db2.gz BXBIIEKCWXTRKB-ZFWWWQNUSA-N 3 2 294.443 0.399 20 0 CCADLP C[NH+]1CCC(NC(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000864598260 616172668 /nfs/dbraw/zinc/17/26/68/616172668.db2.gz ZIBWNNTVJGOLDB-IHWYPQMZSA-N 2 2 267.373 0.085 20 0 CCADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCOC[C@@H]2CC2CC2)CC1 ZINC000933203328 616173190 /nfs/dbraw/zinc/17/31/90/616173190.db2.gz PBLKKLPCSOLMPJ-HNNXBMFYSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC(NC(=O)C[N@H+]2CCOC[C@@H]2CC2CC2)CC1 ZINC000933203328 616173191 /nfs/dbraw/zinc/17/31/91/616173191.db2.gz PBLKKLPCSOLMPJ-HNNXBMFYSA-N 2 2 295.427 0.698 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NOC1CC[NH+](C)CC1 ZINC000816532976 616175948 /nfs/dbraw/zinc/17/59/48/616175948.db2.gz DSZNNUKAHVTDBF-UHFFFAOYSA-N 2 2 266.345 0.495 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000868698182 616187549 /nfs/dbraw/zinc/18/75/49/616187549.db2.gz SVLDBHFIERKWJJ-LBPRGKRZSA-N 2 2 279.388 0.951 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000868698182 616187550 /nfs/dbraw/zinc/18/75/50/616187550.db2.gz SVLDBHFIERKWJJ-LBPRGKRZSA-N 2 2 279.388 0.951 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CC[C@H]1CCNC1=O ZINC000880141388 616200525 /nfs/dbraw/zinc/20/05/25/616200525.db2.gz IDTHWXHHWSAGDW-JHJVBQTASA-N 2 2 251.374 0.681 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CC[C@H]1CCNC1=O ZINC000880141388 616200526 /nfs/dbraw/zinc/20/05/26/616200526.db2.gz IDTHWXHHWSAGDW-JHJVBQTASA-N 2 2 251.374 0.681 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CC[C@H]1CCNC1=O ZINC000880141388 616200527 /nfs/dbraw/zinc/20/05/27/616200527.db2.gz IDTHWXHHWSAGDW-JHJVBQTASA-N 2 2 251.374 0.681 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CC[C@H]1CCNC1=O ZINC000880141388 616200528 /nfs/dbraw/zinc/20/05/28/616200528.db2.gz IDTHWXHHWSAGDW-JHJVBQTASA-N 2 2 251.374 0.681 20 0 CCADLP CN(C(=O)NCc1c[nH+]cn1C)[C@H]1CCC[N@H+](C)C1 ZINC000894913900 616205668 /nfs/dbraw/zinc/20/56/68/616205668.db2.gz QEGXJRSENSOASK-NSHDSACASA-N 2 2 265.361 0.656 20 0 CCADLP CN(C(=O)NCc1c[nH+]cn1C)[C@H]1CCC[N@@H+](C)C1 ZINC000894913900 616205669 /nfs/dbraw/zinc/20/56/69/616205669.db2.gz QEGXJRSENSOASK-NSHDSACASA-N 2 2 265.361 0.656 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000897004259 616212001 /nfs/dbraw/zinc/21/20/01/616212001.db2.gz FLMFKZNMMPOBEF-ILXRZTDVSA-N 2 2 295.427 0.840 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000897004259 616212002 /nfs/dbraw/zinc/21/20/02/616212002.db2.gz FLMFKZNMMPOBEF-ILXRZTDVSA-N 2 2 295.427 0.840 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000895291158 616215895 /nfs/dbraw/zinc/21/58/95/616215895.db2.gz IENVSEVSGVSRTO-KBPBESRZSA-N 2 2 291.399 0.841 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)c1 ZINC000895291158 616215896 /nfs/dbraw/zinc/21/58/96/616215896.db2.gz IENVSEVSGVSRTO-KBPBESRZSA-N 2 2 291.399 0.841 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](c2ccccn2)C2CC2)CC1 ZINC000932381690 616223753 /nfs/dbraw/zinc/22/37/53/616223753.db2.gz ZTEZXSZCXGOOJP-INIZCTEOSA-N 2 2 288.395 0.896 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCOC23CCCCC3)CC1 ZINC000924840485 616223761 /nfs/dbraw/zinc/22/37/61/616223761.db2.gz WNYGNKRWCXQUPL-AWEZNQCLSA-N 2 2 295.427 0.842 20 0 CCADLP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925516729 616241496 /nfs/dbraw/zinc/24/14/96/616241496.db2.gz FEAVUEWLHMTLOA-CQSZACIVSA-N 3 2 266.433 0.498 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@H]21 ZINC000827321105 616314823 /nfs/dbraw/zinc/31/48/23/616314823.db2.gz UJPXFIQLEJORAJ-CHWSQXEVSA-N 2 2 262.357 0.826 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@H]21 ZINC000827321105 616314828 /nfs/dbraw/zinc/31/48/28/616314828.db2.gz UJPXFIQLEJORAJ-CHWSQXEVSA-N 2 2 262.357 0.826 20 0 CCADLP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)N3CCOCC3)CC[C@@H]21 ZINC000879571316 616334549 /nfs/dbraw/zinc/33/45/49/616334549.db2.gz PKEVSEQVGHSXQU-KGLIPLIRSA-N 2 2 281.400 0.261 20 0 CCADLP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)N3CCOCC3)CC[C@@H]21 ZINC000879571316 616334551 /nfs/dbraw/zinc/33/45/51/616334551.db2.gz PKEVSEQVGHSXQU-KGLIPLIRSA-N 2 2 281.400 0.261 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)N3CCOCC3)CC[C@@H]21 ZINC000879571316 616334558 /nfs/dbraw/zinc/33/45/58/616334558.db2.gz PKEVSEQVGHSXQU-KGLIPLIRSA-N 2 2 281.400 0.261 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)N3CCOCC3)CC[C@@H]21 ZINC000879571316 616334566 /nfs/dbraw/zinc/33/45/66/616334566.db2.gz PKEVSEQVGHSXQU-KGLIPLIRSA-N 2 2 281.400 0.261 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC000916660302 616336123 /nfs/dbraw/zinc/33/61/23/616336123.db2.gz KDZWIVCZVHSPRA-OLZOCXBDSA-N 2 2 298.412 0.096 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(S(=O)(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC000916660302 616336128 /nfs/dbraw/zinc/33/61/28/616336128.db2.gz KDZWIVCZVHSPRA-OLZOCXBDSA-N 2 2 298.412 0.096 20 0 CCADLP COCC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000950491007 616360003 /nfs/dbraw/zinc/36/00/03/616360003.db2.gz GUSBGILBDROLNB-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP COCC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000950491007 616360007 /nfs/dbraw/zinc/36/00/07/616360007.db2.gz GUSBGILBDROLNB-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)NC[C@H]2CC[NH+]2C)C[C@H]1C ZINC000925405365 616360978 /nfs/dbraw/zinc/36/09/78/616360978.db2.gz GANSLMZOEQFHGM-CHWSQXEVSA-N 2 2 284.404 0.053 20 0 CCADLP COCC[N@H+]1CCN(C(=O)NC[C@H]2CC[NH+]2C)C[C@H]1C ZINC000925405365 616360984 /nfs/dbraw/zinc/36/09/84/616360984.db2.gz GANSLMZOEQFHGM-CHWSQXEVSA-N 2 2 284.404 0.053 20 0 CCADLP COCC[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C)C[C@H]1C ZINC000925405365 616360986 /nfs/dbraw/zinc/36/09/86/616360986.db2.gz GANSLMZOEQFHGM-CHWSQXEVSA-N 2 2 284.404 0.053 20 0 CCADLP COCC[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+]2C)C[C@H]1C ZINC000925405365 616360991 /nfs/dbraw/zinc/36/09/91/616360991.db2.gz GANSLMZOEQFHGM-CHWSQXEVSA-N 2 2 284.404 0.053 20 0 CCADLP C[N@H+](Cc1ccon1)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000980392293 616361817 /nfs/dbraw/zinc/36/18/17/616361817.db2.gz WNOZIMDIMOYNFM-GXTWGEPZSA-N 2 2 292.383 0.659 20 0 CCADLP C[N@@H+](Cc1ccon1)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000980392293 616361818 /nfs/dbraw/zinc/36/18/18/616361818.db2.gz WNOZIMDIMOYNFM-GXTWGEPZSA-N 2 2 292.383 0.659 20 0 CCADLP C[NH+](Cc1ccon1)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000980392293 616361821 /nfs/dbraw/zinc/36/18/21/616361821.db2.gz WNOZIMDIMOYNFM-GXTWGEPZSA-N 2 2 292.383 0.659 20 0 CCADLP C[NH+](Cc1ccon1)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000980392293 616361823 /nfs/dbraw/zinc/36/18/23/616361823.db2.gz WNOZIMDIMOYNFM-GXTWGEPZSA-N 2 2 292.383 0.659 20 0 CCADLP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000924758240 616364447 /nfs/dbraw/zinc/36/44/47/616364447.db2.gz UCODMZOFARYOGX-PEUVFPKISA-N 3 2 267.417 0.373 20 0 CCADLP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000924758240 616364450 /nfs/dbraw/zinc/36/44/50/616364450.db2.gz UCODMZOFARYOGX-PEUVFPKISA-N 3 2 267.417 0.373 20 0 CCADLP COCC[NH+]1CCN(Cc2[nH]c(C)[nH+]c2C)CC1 ZINC000929244049 616373708 /nfs/dbraw/zinc/37/37/08/616373708.db2.gz FVQHSOQBUXOGHO-UHFFFAOYSA-N 2 2 252.362 0.791 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000947928466 616414997 /nfs/dbraw/zinc/41/49/97/616414997.db2.gz ATBDNUXWDNUXGJ-STQMWFEESA-N 2 2 294.399 0.578 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000947928466 616415000 /nfs/dbraw/zinc/41/50/00/616415000.db2.gz ATBDNUXWDNUXGJ-STQMWFEESA-N 2 2 294.399 0.578 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000868694076 616438436 /nfs/dbraw/zinc/43/84/36/616438436.db2.gz UWLCEDJJIZWHOI-JSGCOSHPSA-N 2 2 291.399 0.698 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)c1 ZINC000868694076 616438437 /nfs/dbraw/zinc/43/84/37/616438437.db2.gz UWLCEDJJIZWHOI-JSGCOSHPSA-N 2 2 291.399 0.698 20 0 CCADLP COCCNC(=[NH2+])NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000849048228 616482703 /nfs/dbraw/zinc/48/27/03/616482703.db2.gz GQNLGTKEYZARFW-UTUOFQBUSA-N 2 2 272.393 0.244 20 0 CCADLP COCCNC(=[NH2+])NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000849048228 616482705 /nfs/dbraw/zinc/48/27/05/616482705.db2.gz GQNLGTKEYZARFW-UTUOFQBUSA-N 2 2 272.393 0.244 20 0 CCADLP COC(=O)[C@@H]1[C@H](C[NH2+]CC[N@@H+]2CC[C@@H](C)C2)C1(F)F ZINC000894392900 616514674 /nfs/dbraw/zinc/51/46/74/616514674.db2.gz DXBTYALWIDWOPO-VWYCJHECSA-N 2 2 276.327 0.972 20 0 CCADLP COC(=O)[C@@H]1[C@H](C[NH2+]CC[N@H+]2CC[C@@H](C)C2)C1(F)F ZINC000894392900 616514679 /nfs/dbraw/zinc/51/46/79/616514679.db2.gz DXBTYALWIDWOPO-VWYCJHECSA-N 2 2 276.327 0.972 20 0 CCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cnc(C[NH3+])nc1 ZINC000877247626 616517765 /nfs/dbraw/zinc/51/77/65/616517765.db2.gz SGRVLAZCZQAPEH-AWEZNQCLSA-N 2 2 297.362 0.852 20 0 CCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cnc(C[NH3+])nc1 ZINC000877247626 616517767 /nfs/dbraw/zinc/51/77/67/616517767.db2.gz SGRVLAZCZQAPEH-AWEZNQCLSA-N 2 2 297.362 0.852 20 0 CCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000870979197 616517960 /nfs/dbraw/zinc/51/79/60/616517960.db2.gz ICSDMIWBEFYTQF-ZFWWWQNUSA-N 2 2 277.343 0.991 20 0 CCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000870979197 616517961 /nfs/dbraw/zinc/51/79/61/616517961.db2.gz ICSDMIWBEFYTQF-ZFWWWQNUSA-N 2 2 277.343 0.991 20 0 CCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000877247638 616518057 /nfs/dbraw/zinc/51/80/57/616518057.db2.gz SOAUYLGKKHEHCR-HOCLYGCPSA-N 2 2 289.379 0.668 20 0 CCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000877247638 616518060 /nfs/dbraw/zinc/51/80/60/616518060.db2.gz SOAUYLGKKHEHCR-HOCLYGCPSA-N 2 2 289.379 0.668 20 0 CCADLP CNC(=O)C1([NH2+]Cc2c[nH+]c(C)n2C)CCCC1 ZINC000825555680 616550769 /nfs/dbraw/zinc/55/07/69/616550769.db2.gz JPAHOWHCDGUISY-UHFFFAOYSA-N 2 2 250.346 0.877 20 0 CCADLP COCCS(=O)(=O)CCC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000843346039 616603534 /nfs/dbraw/zinc/60/35/34/616603534.db2.gz AFRDXXYNPVKDNL-LBPRGKRZSA-N 2 2 278.418 0.108 20 0 CCADLP COCCS(=O)(=O)CCC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000843346039 616603536 /nfs/dbraw/zinc/60/35/36/616603536.db2.gz AFRDXXYNPVKDNL-LBPRGKRZSA-N 2 2 278.418 0.108 20 0 CCADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC[NH2+]C(C)(C)C ZINC000935106888 616610738 /nfs/dbraw/zinc/61/07/38/616610738.db2.gz LURQQLNCTVBWDZ-NSHDSACASA-N 2 2 296.371 0.388 20 0 CCADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC[NH2+]C(C)(C)C ZINC000935106888 616610742 /nfs/dbraw/zinc/61/07/42/616610742.db2.gz LURQQLNCTVBWDZ-NSHDSACASA-N 2 2 296.371 0.388 20 0 CCADLP COCC[C@@H](C)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883370493 616619090 /nfs/dbraw/zinc/61/90/90/616619090.db2.gz MOXCMTUDZFVDHV-HZPDHXFCSA-N 2 2 299.459 0.798 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[N@@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903806075 616625775 /nfs/dbraw/zinc/62/57/75/616625775.db2.gz UMKYNGCMGZGDDH-BYNSBNAKSA-N 2 2 286.416 0.602 20 0 CCADLP COC[C@H](C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)C(C)C ZINC000903448485 616652538 /nfs/dbraw/zinc/65/25/38/616652538.db2.gz GOVRTKCEGLMIRA-GJZGRUSLSA-N 2 2 297.443 0.801 20 0 CCADLP COC[C@H](C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)C(C)C ZINC000903448485 616652542 /nfs/dbraw/zinc/65/25/42/616652542.db2.gz GOVRTKCEGLMIRA-GJZGRUSLSA-N 2 2 297.443 0.801 20 0 CCADLP COCC[C@H]([NH3+])C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000884222317 616675575 /nfs/dbraw/zinc/67/55/75/616675575.db2.gz NSWYHYLUNKXBDA-ZDUSSCGKSA-N 2 2 290.367 0.665 20 0 CCADLP COC[C@H](O)C[N@@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000923338187 616734371 /nfs/dbraw/zinc/73/43/71/616734371.db2.gz YLSKWNJSAWDGHC-CHWSQXEVSA-N 2 2 299.440 0.870 20 0 CCADLP COC[C@H](O)C[N@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000923338187 616734375 /nfs/dbraw/zinc/73/43/75/616734375.db2.gz YLSKWNJSAWDGHC-CHWSQXEVSA-N 2 2 299.440 0.870 20 0 CCADLP COC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000904345654 616789295 /nfs/dbraw/zinc/78/92/95/616789295.db2.gz HXYGXAIDMWWOKR-GFCCVEGCSA-N 2 2 289.339 0.786 20 0 CCADLP COC(=O)[C@]12C[C@H]1CCC[N@@H+]2C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903788509 616807276 /nfs/dbraw/zinc/80/72/76/616807276.db2.gz MUNMLAKNQWTAPL-XOUADPBQSA-N 2 2 294.395 0.783 20 0 CCADLP COC(=O)[C@]12C[C@H]1CCC[N@H+]2C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903788509 616807281 /nfs/dbraw/zinc/80/72/81/616807281.db2.gz MUNMLAKNQWTAPL-XOUADPBQSA-N 2 2 294.395 0.783 20 0 CCADLP COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000977641387 616811939 /nfs/dbraw/zinc/81/19/39/616811939.db2.gz DHJJBEJRWXGLIH-CHWSQXEVSA-N 2 2 294.399 0.745 20 0 CCADLP COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000977641387 616811941 /nfs/dbraw/zinc/81/19/41/616811941.db2.gz DHJJBEJRWXGLIH-CHWSQXEVSA-N 2 2 294.399 0.745 20 0 CCADLP COCCCN1CC[NH2+]CC[N@H+](CCCOC)CC1 ZINC000923394987 616884938 /nfs/dbraw/zinc/88/49/38/616884938.db2.gz OIWRHLXSWZMQEM-UHFFFAOYSA-N 2 2 273.421 0.267 20 0 CCADLP COCCCN1CC[NH2+]CC[N@@H+](CCCOC)CC1 ZINC000923394987 616884942 /nfs/dbraw/zinc/88/49/42/616884942.db2.gz OIWRHLXSWZMQEM-UHFFFAOYSA-N 2 2 273.421 0.267 20 0 CCADLP COCCCNC(=O)C1CC[NH+](C[C@@H]2CCC[NH2+]2)CC1 ZINC000843060715 616886493 /nfs/dbraw/zinc/88/64/93/616886493.db2.gz MMGXTUBZCZUQHC-AWEZNQCLSA-N 2 2 283.416 0.603 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000923356500 616964704 /nfs/dbraw/zinc/96/47/04/616964704.db2.gz IXNVKTLSCBIVLW-HZPDHXFCSA-N 3 2 299.459 0.247 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000923356500 616964708 /nfs/dbraw/zinc/96/47/08/616964708.db2.gz IXNVKTLSCBIVLW-HZPDHXFCSA-N 3 2 299.459 0.247 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H](O)COC[C@H]1CCCO1 ZINC000923295545 616984020 /nfs/dbraw/zinc/98/40/20/616984020.db2.gz YLSUZOPZXBZFJX-MELADBBJSA-N 2 2 272.389 0.227 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H](O)COC[C@H]1CCCO1 ZINC000923295545 616984022 /nfs/dbraw/zinc/98/40/22/616984022.db2.gz YLSUZOPZXBZFJX-MELADBBJSA-N 2 2 272.389 0.227 20 0 CCADLP COC(=O)c1cncc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000886589608 616994829 /nfs/dbraw/zinc/99/48/29/616994829.db2.gz ADULOFXFNDFABL-ABAIWWIYSA-N 2 2 293.367 0.585 20 0 CCADLP COC(=O)c1cncc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000886589608 616994832 /nfs/dbraw/zinc/99/48/32/616994832.db2.gz ADULOFXFNDFABL-ABAIWWIYSA-N 2 2 293.367 0.585 20 0 CCADLP C[NH2+]C[C@H]1CCCC[N@@H+]1C[C@H](O)Cn1cccn1 ZINC000923424169 616996923 /nfs/dbraw/zinc/99/69/23/616996923.db2.gz OTDLCRIYADOUPH-OLZOCXBDSA-N 2 2 252.362 0.318 20 0 CCADLP C[NH2+]C[C@H]1CCCC[N@H+]1C[C@H](O)Cn1cccn1 ZINC000923424169 616996924 /nfs/dbraw/zinc/99/69/24/616996924.db2.gz OTDLCRIYADOUPH-OLZOCXBDSA-N 2 2 252.362 0.318 20 0 CCADLP C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000911634341 616998173 /nfs/dbraw/zinc/99/81/73/616998173.db2.gz MYEMVAAKYBLADV-OLZOCXBDSA-N 2 2 276.384 0.904 20 0 CCADLP C[NH2+]C[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000884027829 616999352 /nfs/dbraw/zinc/99/93/52/616999352.db2.gz OKSKMKCEKWEZSB-GFCCVEGCSA-N 2 2 264.373 0.995 20 0 CCADLP CNc1cc(N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)nc[nH+]1 ZINC000893373883 617057669 /nfs/dbraw/zinc/05/76/69/617057669.db2.gz KTKXVLOBNCUIDM-LLVKDONJSA-N 2 2 279.388 0.800 20 0 CCADLP CNc1cc(N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)nc[nH+]1 ZINC000893373883 617057673 /nfs/dbraw/zinc/05/76/73/617057673.db2.gz KTKXVLOBNCUIDM-LLVKDONJSA-N 2 2 279.388 0.800 20 0 CCADLP CON(C)C(=O)[C@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000858578788 617068579 /nfs/dbraw/zinc/06/85/79/617068579.db2.gz LSWXDDVEHGWDRQ-NSHDSACASA-N 2 2 269.389 0.859 20 0 CCADLP COC[C@H](C)NC(=[NH2+])NCC[NH+]1CCSCC1 ZINC000849005853 617074362 /nfs/dbraw/zinc/07/43/62/617074362.db2.gz TVMWWBHIPBPGSM-JTQLQIEISA-N 2 2 260.407 0.184 20 0 CCADLP CO[C@H]1CC[C@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000879355276 617105192 /nfs/dbraw/zinc/10/51/92/617105192.db2.gz BGHNANDKDQCAOJ-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CO[C@H]1CC[C@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000879355276 617105193 /nfs/dbraw/zinc/10/51/93/617105193.db2.gz BGHNANDKDQCAOJ-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CCC[NH2+][C@H]1C)CN1CCOCC1 ZINC000925510259 625335739 /nfs/dbraw/zinc/33/57/39/625335739.db2.gz VINUOFJNEZWWJC-HZSPNIEDSA-N 2 2 255.406 0.685 20 0 CCADLP C[C@H](CN[C@@H]1CCC[NH2+][C@H]1C)C[NH+]1CCOCC1 ZINC000925510259 625335740 /nfs/dbraw/zinc/33/57/40/625335740.db2.gz VINUOFJNEZWWJC-HZSPNIEDSA-N 2 2 255.406 0.685 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001022889643 622836183 /nfs/dbraw/zinc/83/61/83/622836183.db2.gz TVYKFQHYJHQOBR-SDDRHHMPSA-N 2 2 278.356 0.226 20 0 CCADLP CC(C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001023116197 622913679 /nfs/dbraw/zinc/91/36/79/622913679.db2.gz CVBPTDMMYFPHTH-ZNMIVQPWSA-N 2 2 295.427 0.742 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]Cc2cncs2)C1 ZINC001023161149 622936104 /nfs/dbraw/zinc/93/61/04/622936104.db2.gz PWJHLXXISUOBIF-PHIMTYICSA-N 2 2 291.380 0.777 20 0 CCADLP Cc1cc(N)nc(NC[C@H]2C[N@H+](C)CCN2C)[nH+]1 ZINC000892470315 623322658 /nfs/dbraw/zinc/32/26/58/623322658.db2.gz YTHJYWHYRDWKLO-JTQLQIEISA-N 2 2 250.350 0.025 20 0 CCADLP Cc1cc(N)nc(NCC[NH+]2CCSCC2)[nH+]1 ZINC000892492882 623370029 /nfs/dbraw/zinc/37/00/29/623370029.db2.gz WOJQRPWEHUYFCG-UHFFFAOYSA-N 2 2 253.375 0.828 20 0 CCADLP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925706718 625662562 /nfs/dbraw/zinc/66/25/62/625662562.db2.gz KIEQOQSNDYIGCU-ASHHDVGLSA-N 3 2 271.355 0.817 20 0 CCADLP CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001026929366 625662700 /nfs/dbraw/zinc/66/27/00/625662700.db2.gz QWUHRTGBGWJDOL-CHWSQXEVSA-N 2 2 276.384 0.904 20 0 CCADLP CC[NH2+]C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001025174293 623641538 /nfs/dbraw/zinc/64/15/38/623641538.db2.gz IFSPRVXQQAUFSS-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC)C1 ZINC001026973070 625675647 /nfs/dbraw/zinc/67/56/47/625675647.db2.gz VHGHZWFVVVFUHL-GJZGRUSLSA-N 2 2 297.443 0.945 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC)C1 ZINC001026973070 625675648 /nfs/dbraw/zinc/67/56/48/625675648.db2.gz VHGHZWFVVVFUHL-GJZGRUSLSA-N 2 2 297.443 0.945 20 0 CCADLP Cc1cc(N)nc(N2CC[NH+](C[C@H]3CCOC3)CC2)[nH+]1 ZINC000892837100 623850888 /nfs/dbraw/zinc/85/08/88/623850888.db2.gz WPAIVVHNQKACJA-GFCCVEGCSA-N 2 2 277.372 0.526 20 0 CCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCC(C)(C)[NH3+] ZINC000892849385 623853069 /nfs/dbraw/zinc/85/30/69/623853069.db2.gz IFNKSYCBMMKXOW-STQMWFEESA-N 2 2 298.431 0.618 20 0 CCADLP C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1C[NH+](CCF)C1 ZINC000969957275 624564468 /nfs/dbraw/zinc/56/44/68/624564468.db2.gz CZLSGIXDHUFSES-NTZNESFSSA-N 2 2 287.379 0.112 20 0 CCADLP C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1C[NH+](CCF)C1 ZINC000969957275 624564473 /nfs/dbraw/zinc/56/44/73/624564473.db2.gz CZLSGIXDHUFSES-NTZNESFSSA-N 2 2 287.379 0.112 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]Cc2cncs2)C1 ZINC000970102935 624601463 /nfs/dbraw/zinc/60/14/63/624601463.db2.gz HILYWRCUZVGBCD-SNVBAGLBSA-N 2 2 291.380 0.799 20 0 CCADLP Cc1ncc(C[NH2+][C@H]2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)o1 ZINC001020819157 624606374 /nfs/dbraw/zinc/60/63/74/624606374.db2.gz QEGUXWQACYPVGI-XYPYZODXSA-N 2 2 289.339 0.686 20 0 CCADLP Cn1nccc1C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000970342823 624676854 /nfs/dbraw/zinc/67/68/54/624676854.db2.gz BPXXQVYLNFJNRN-LLVKDONJSA-N 2 2 288.355 0.076 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000902516732 634401067 /nfs/dbraw/zinc/40/10/67/634401067.db2.gz FQHCZKHFNDHOQZ-RUZUBIRVSA-N 2 2 254.374 0.768 20 0 CCADLP C[C@H](CC(=O)N1CC[N@H+](C)[C@H](C)C1)n1cc[nH+]c1 ZINC000845637432 624752952 /nfs/dbraw/zinc/75/29/52/624752952.db2.gz DZGCKVBLQZDMSA-VXGBXAGGSA-N 2 2 250.346 0.997 20 0 CCADLP C[C@H](CC(=O)N1CC[N@@H+](C)[C@H](C)C1)n1cc[nH+]c1 ZINC000845637432 624752953 /nfs/dbraw/zinc/75/29/53/624752953.db2.gz DZGCKVBLQZDMSA-VXGBXAGGSA-N 2 2 250.346 0.997 20 0 CCADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000050248863 624803841 /nfs/dbraw/zinc/80/38/41/624803841.db2.gz QZUJTLOEYKZQJN-NSHDSACASA-N 2 2 282.388 0.426 20 0 CCADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000050248863 624803844 /nfs/dbraw/zinc/80/38/44/624803844.db2.gz QZUJTLOEYKZQJN-NSHDSACASA-N 2 2 282.388 0.426 20 0 CCADLP CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000050248716 624803940 /nfs/dbraw/zinc/80/39/40/624803940.db2.gz BFYWVGXQPJYSHC-ZDUSSCGKSA-N 2 2 297.424 0.718 20 0 CCADLP CN(C)S(=O)(=O)c1cccc(C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000050248716 624803943 /nfs/dbraw/zinc/80/39/43/624803943.db2.gz BFYWVGXQPJYSHC-ZDUSSCGKSA-N 2 2 297.424 0.718 20 0 CCADLP Cc1cc(N)nc(NC2CC[NH+](CCN(C)C)CC2)[nH+]1 ZINC000891787764 624929858 /nfs/dbraw/zinc/92/98/58/624929858.db2.gz WTOJTSOZVZPCRR-UHFFFAOYSA-N 2 2 278.404 0.805 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000891895880 624983146 /nfs/dbraw/zinc/98/31/46/624983146.db2.gz PWWYUMVJZGTGSL-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000891895880 624983159 /nfs/dbraw/zinc/98/31/59/624983159.db2.gz PWWYUMVJZGTGSL-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000971989814 625046998 /nfs/dbraw/zinc/04/69/98/625046998.db2.gz RCISPSPMAXGCBI-QWHCGFSZSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000971989814 625047010 /nfs/dbraw/zinc/04/70/10/625047010.db2.gz RCISPSPMAXGCBI-QWHCGFSZSA-N 2 2 294.399 0.266 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](C[C@@H]2COc3ccccc3O2)CCCO1 ZINC000313407938 625795335 /nfs/dbraw/zinc/79/53/35/625795335.db2.gz YMLMCPGRZQVMNQ-QWHCGFSZSA-N 2 2 278.352 0.876 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](C[C@@H]2COc3ccccc3O2)CCCO1 ZINC000313407938 625795344 /nfs/dbraw/zinc/79/53/44/625795344.db2.gz YMLMCPGRZQVMNQ-QWHCGFSZSA-N 2 2 278.352 0.876 20 0 CCADLP COC[C@H](C)[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001009714745 625912053 /nfs/dbraw/zinc/91/20/53/625912053.db2.gz GCSWOGIOZKNKIH-STQMWFEESA-N 2 2 280.372 0.499 20 0 CCADLP COC[C@H](C)[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001009714745 625912055 /nfs/dbraw/zinc/91/20/55/625912055.db2.gz GCSWOGIOZKNKIH-STQMWFEESA-N 2 2 280.372 0.499 20 0 CCADLP CC[C@@H](C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1)OC ZINC001009717481 625914013 /nfs/dbraw/zinc/91/40/13/625914013.db2.gz OZGJIHQPKQFPQL-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP CC[C@@H](C[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1)OC ZINC001009717481 625914014 /nfs/dbraw/zinc/91/40/14/625914014.db2.gz OZGJIHQPKQFPQL-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@H]([N@H+](C)CCO)C1 ZINC001027505594 625925780 /nfs/dbraw/zinc/92/57/80/625925780.db2.gz QQPFREMEVIRCGR-ZDUSSCGKSA-N 2 2 294.399 0.268 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@H]([N@@H+](C)CCO)C1 ZINC001027505594 625925787 /nfs/dbraw/zinc/92/57/87/625925787.db2.gz QQPFREMEVIRCGR-ZDUSSCGKSA-N 2 2 294.399 0.268 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[N@@H+](C[C@H](C)O)CC1(C)C ZINC000977539792 625946108 /nfs/dbraw/zinc/94/61/08/625946108.db2.gz YHFFXDUIZJWDCT-GWCFXTLKSA-N 2 2 294.399 0.468 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[N@H+](C[C@H](C)O)CC1(C)C ZINC000977539792 625946118 /nfs/dbraw/zinc/94/61/18/625946118.db2.gz YHFFXDUIZJWDCT-GWCFXTLKSA-N 2 2 294.399 0.468 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN(Cc2cnn(C)c2)CC1 ZINC000903445585 634568431 /nfs/dbraw/zinc/56/84/31/634568431.db2.gz MDXMKWORVSZKEW-HIFRSBDPSA-N 2 2 277.416 0.393 20 0 CCADLP CS(=O)(=O)CC1(C[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000903472245 634573841 /nfs/dbraw/zinc/57/38/41/634573841.db2.gz PWPLCPJPMOOISC-LLVKDONJSA-N 2 2 272.414 0.685 20 0 CCADLP O=S(=O)(C1CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903562646 634607551 /nfs/dbraw/zinc/60/75/51/634607551.db2.gz RONSLXZHYVZEBY-BETUJISGSA-N 2 2 299.440 0.379 20 0 CCADLP O=S(=O)(C1CC1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903562646 634607558 /nfs/dbraw/zinc/60/75/58/634607558.db2.gz RONSLXZHYVZEBY-BETUJISGSA-N 2 2 299.440 0.379 20 0 CCADLP C[C@@H]1CCC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)[C@H]1C[NH3+] ZINC000903716679 634628383 /nfs/dbraw/zinc/62/83/83/634628383.db2.gz BRHHJXALGCVWFR-CBBWQLFWSA-N 3 2 267.417 0.814 20 0 CCADLP C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)[C@H]1C[NH3+] ZINC000903716679 634628387 /nfs/dbraw/zinc/62/83/87/634628387.db2.gz BRHHJXALGCVWFR-CBBWQLFWSA-N 3 2 267.417 0.814 20 0 CCADLP Cc1nc(CN2CC[NH+](C[C@@H]3CCCC[NH2+]C3)CC2)no1 ZINC000903739207 634638651 /nfs/dbraw/zinc/63/86/51/634638651.db2.gz FFEMCBJISKSUGB-CQSZACIVSA-N 2 2 293.415 0.885 20 0 CCADLP COc1cnc([C@H]2CCC[N@@H+]2CCOCC[NH3+])[nH]c1=O ZINC000903829545 634660451 /nfs/dbraw/zinc/66/04/51/634660451.db2.gz GYMYBQPIMNBWEG-SNVBAGLBSA-N 2 2 282.344 0.303 20 0 CCADLP COc1cnc([C@H]2CCC[N@H+]2CCOCC[NH3+])[nH]c1=O ZINC000903829545 634660459 /nfs/dbraw/zinc/66/04/59/634660459.db2.gz GYMYBQPIMNBWEG-SNVBAGLBSA-N 2 2 282.344 0.303 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cnn1C ZINC000903873479 634672765 /nfs/dbraw/zinc/67/27/65/634672765.db2.gz IMGMYTZBBYBGSC-CFVMTHIKSA-N 3 2 293.459 0.905 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cnn1C ZINC000903873479 634672766 /nfs/dbraw/zinc/67/27/66/634672766.db2.gz IMGMYTZBBYBGSC-CFVMTHIKSA-N 3 2 293.459 0.905 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000903918759 634685529 /nfs/dbraw/zinc/68/55/29/634685529.db2.gz HDQNQESWDGWOIO-UPJWGTAASA-N 3 2 278.404 0.433 20 0 CCADLP [NH3+]C1(C[NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)CCCCC1 ZINC000903918283 634696272 /nfs/dbraw/zinc/69/62/72/634696272.db2.gz WFXKXFVLSCCORZ-ZDUSSCGKSA-N 3 2 292.431 0.954 20 0 CCADLP Cn1c[nH+]cc1CN[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903973510 634700340 /nfs/dbraw/zinc/70/03/40/634700340.db2.gz PENRMARDSSPFKA-GFCCVEGCSA-N 2 2 264.373 0.668 20 0 CCADLP Cn1nc2c(cc1=O)C[N@@H+](C[C@]1(C)CCC[NH2+]C1)CC2 ZINC000904341955 634731001 /nfs/dbraw/zinc/73/10/01/634731001.db2.gz SCWBFFSHBKWWLC-OAHLLOKOSA-N 2 2 276.384 0.528 20 0 CCADLP Cn1nc2c(cc1=O)C[N@H+](C[C@]1(C)CCC[NH2+]C1)CC2 ZINC000904341955 634731005 /nfs/dbraw/zinc/73/10/05/634731005.db2.gz SCWBFFSHBKWWLC-OAHLLOKOSA-N 2 2 276.384 0.528 20 0 CCADLP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)C1(O)CCC1 ZINC000905045606 634783459 /nfs/dbraw/zinc/78/34/59/634783459.db2.gz KQXGXTKWESPHCY-YNEHKIRRSA-N 2 2 254.374 0.479 20 0 CCADLP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)C1(O)CCC1 ZINC000905045606 634783465 /nfs/dbraw/zinc/78/34/65/634783465.db2.gz KQXGXTKWESPHCY-YNEHKIRRSA-N 2 2 254.374 0.479 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905044146 634783842 /nfs/dbraw/zinc/78/38/42/634783842.db2.gz ACUOQMIEZXIEND-RYUDHWBXSA-N 2 2 253.346 0.527 20 0 CCADLP C[C@H](O)C[N@H+](C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027628967 630813955 /nfs/dbraw/zinc/81/39/55/630813955.db2.gz PBCSBYVEDUARRL-NWDGAFQWSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@H](O)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027628967 630813958 /nfs/dbraw/zinc/81/39/58/630813958.db2.gz PBCSBYVEDUARRL-NWDGAFQWSA-N 2 2 280.372 0.256 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[C@@H]([NH2+]CCO)C1 ZINC000981485207 631283271 /nfs/dbraw/zinc/28/32/71/631283271.db2.gz HRONJWLAJLDAOG-NEPJUHHUSA-N 2 2 280.372 0.270 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2cccnc2)C1 ZINC001010370123 631352128 /nfs/dbraw/zinc/35/21/28/631352128.db2.gz SZCLNQOEIXIZQL-HUUCEWRRSA-N 2 2 288.395 0.866 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2cccnc2)C1 ZINC001010370123 631352130 /nfs/dbraw/zinc/35/21/30/631352130.db2.gz SZCLNQOEIXIZQL-HUUCEWRRSA-N 2 2 288.395 0.866 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001010370123 631352136 /nfs/dbraw/zinc/35/21/36/631352136.db2.gz SZCLNQOEIXIZQL-HUUCEWRRSA-N 2 2 288.395 0.866 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001010370123 631352140 /nfs/dbraw/zinc/35/21/40/631352140.db2.gz SZCLNQOEIXIZQL-HUUCEWRRSA-N 2 2 288.395 0.866 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[N@H+](C[C@H]2CCOC2)CC1 ZINC000982035289 631369747 /nfs/dbraw/zinc/36/97/47/631369747.db2.gz DFQHYCHYZLHWDU-CYBMUJFWSA-N 2 2 292.383 0.523 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[N@@H+](C[C@H]2CCOC2)CC1 ZINC000982035289 631369758 /nfs/dbraw/zinc/36/97/58/631369758.db2.gz DFQHYCHYZLHWDU-CYBMUJFWSA-N 2 2 292.383 0.523 20 0 CCADLP Cn1nnc2c1C[C@H]([NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)CC2 ZINC000925893096 631438072 /nfs/dbraw/zinc/43/80/72/631438072.db2.gz KSJGMYNZXFPMGK-DFBGVHRSSA-N 2 2 291.399 0.029 20 0 CCADLP Cc1nonc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000967926577 650005646 /nfs/dbraw/zinc/00/56/46/650005646.db2.gz YHVRNYWQWJLCDO-YPMHNXCESA-N 2 2 293.371 0.163 20 0 CCADLP Cc1nonc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000967926577 650005650 /nfs/dbraw/zinc/00/56/50/650005650.db2.gz YHVRNYWQWJLCDO-YPMHNXCESA-N 2 2 293.371 0.163 20 0 CCADLP C[C@@H](C(=O)NCc1nc(C[NH+](C)C)cs1)[NH+](C)C ZINC000927761325 631570140 /nfs/dbraw/zinc/57/01/40/631570140.db2.gz QXKZEQYCDFIPCA-VIFPVBQESA-N 2 2 270.402 0.771 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cn(C)cn1 ZINC000924965338 631681304 /nfs/dbraw/zinc/68/13/04/631681304.db2.gz NJBVSRAWFWKKNV-STQMWFEESA-N 2 2 293.415 0.658 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cn(C)cn1 ZINC000924965338 631681306 /nfs/dbraw/zinc/68/13/06/631681306.db2.gz NJBVSRAWFWKKNV-STQMWFEESA-N 2 2 293.415 0.658 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CCCO)CC[C@H]1C ZINC000968597513 650022414 /nfs/dbraw/zinc/02/24/14/650022414.db2.gz YXJYLCNCJNNXKP-BXUZGUMPSA-N 2 2 294.399 0.470 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CCCO)CC[C@H]1C ZINC000968597513 650022415 /nfs/dbraw/zinc/02/24/15/650022415.db2.gz YXJYLCNCJNNXKP-BXUZGUMPSA-N 2 2 294.399 0.470 20 0 CCADLP C[C@H]1CC[N@H+](CCNC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000894309163 631702744 /nfs/dbraw/zinc/70/27/44/631702744.db2.gz OFHVBRBMSVGGBP-STQMWFEESA-N 2 2 291.399 0.839 20 0 CCADLP C[C@H]1CC[N@@H+](CCNC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000894309163 631702750 /nfs/dbraw/zinc/70/27/50/631702750.db2.gz OFHVBRBMSVGGBP-STQMWFEESA-N 2 2 291.399 0.839 20 0 CCADLP Cc1noc2ncc(C[NH2+]C[C@@]3(O)CC[N@@H+](C)C3)cc12 ZINC000894469801 631776100 /nfs/dbraw/zinc/77/61/00/631776100.db2.gz QCRWRCJPFABJPM-AWEZNQCLSA-N 2 2 276.340 0.687 20 0 CCADLP Cc1noc2ncc(C[NH2+]C[C@@]3(O)CC[N@H+](C)C3)cc12 ZINC000894469801 631776103 /nfs/dbraw/zinc/77/61/03/631776103.db2.gz QCRWRCJPFABJPM-AWEZNQCLSA-N 2 2 276.340 0.687 20 0 CCADLP C[C@H]1[C@@H](Nc2cc[nH+]c(N3CCOCC3)n2)CC[N@@H+]1C ZINC000895736937 632142965 /nfs/dbraw/zinc/14/29/65/632142965.db2.gz QILWEJNLAGGOGY-RYUDHWBXSA-N 2 2 277.372 0.818 20 0 CCADLP C[C@H]1[C@@H](Nc2cc[nH+]c(N3CCOCC3)n2)CC[N@H+]1C ZINC000895736937 632142972 /nfs/dbraw/zinc/14/29/72/632142972.db2.gz QILWEJNLAGGOGY-RYUDHWBXSA-N 2 2 277.372 0.818 20 0 CCADLP CC(C)=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001006995228 650060882 /nfs/dbraw/zinc/06/08/82/650060882.db2.gz DKYHKXLIMLGILB-HUUCEWRRSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001006995228 650060884 /nfs/dbraw/zinc/06/08/84/650060884.db2.gz DKYHKXLIMLGILB-HUUCEWRRSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001006995228 650060887 /nfs/dbraw/zinc/06/08/87/650060887.db2.gz DKYHKXLIMLGILB-HUUCEWRRSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001006995228 650060890 /nfs/dbraw/zinc/06/08/90/650060890.db2.gz DKYHKXLIMLGILB-HUUCEWRRSA-N 2 2 295.427 0.864 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N1CC[C@H]([NH2+]CCO)[C@H]1C ZINC000986429325 632754954 /nfs/dbraw/zinc/75/49/54/632754954.db2.gz XXIIQXMEPZRUKZ-YPMHNXCESA-N 2 2 293.367 0.204 20 0 CCADLP C[C@H]1[C@H]([NH2+]CCO)CCN1C(=O)c1cccc2[nH+]ccn21 ZINC000986545475 632768807 /nfs/dbraw/zinc/76/88/07/632768807.db2.gz VRLBHVVVKXCUBE-NWDGAFQWSA-N 2 2 288.351 0.519 20 0 CCADLP CCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C ZINC000987058816 632818136 /nfs/dbraw/zinc/81/81/36/632818136.db2.gz NFWRERYXZSMDQH-PWSUYJOCSA-N 2 2 250.346 0.941 20 0 CCADLP C[C@H]1[C@H]([NH2+]CC2CC2)CCN1C(=O)Cc1c[nH+]cn1C ZINC000987348699 632859997 /nfs/dbraw/zinc/85/99/97/632859997.db2.gz OPHVEZWLILCEMG-SMDDNHRTSA-N 2 2 276.384 0.952 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC000987423813 632866441 /nfs/dbraw/zinc/86/64/41/632866441.db2.gz XMNDFWOCJJAWLR-WDEREUQCSA-N 2 2 250.346 0.860 20 0 CCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1CCC[N@H+](CCO)C1 ZINC001008345458 650111243 /nfs/dbraw/zinc/11/12/43/650111243.db2.gz ULAMVHJERMBUHQ-ZDUSSCGKSA-N 2 2 295.383 0.528 20 0 CCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1CCC[N@@H+](CCO)C1 ZINC001008345458 650111245 /nfs/dbraw/zinc/11/12/45/650111245.db2.gz ULAMVHJERMBUHQ-ZDUSSCGKSA-N 2 2 295.383 0.528 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CCC[N@H+](CCF)CC1 ZINC000989673120 633343698 /nfs/dbraw/zinc/34/36/98/633343698.db2.gz JTEZNTKQNJTXHV-UHFFFAOYSA-N 2 2 268.336 0.695 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CCC[N@@H+](CCF)CC1 ZINC000989673120 633343702 /nfs/dbraw/zinc/34/37/02/633343702.db2.gz JTEZNTKQNJTXHV-UHFFFAOYSA-N 2 2 268.336 0.695 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]CCF)C[C@H]1C ZINC000989724531 633348668 /nfs/dbraw/zinc/34/86/68/633348668.db2.gz AGNLBHJSHNCSEZ-MWLCHTKSSA-N 2 2 268.336 0.809 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]Cc2cnon2)CN1C(=O)C[NH+]1CCCC1 ZINC000989799052 633356226 /nfs/dbraw/zinc/35/62/26/633356226.db2.gz IZOLYXAAVXZLEC-NEPJUHHUSA-N 2 2 293.371 0.244 20 0 CCADLP CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@H]12 ZINC000990108205 633448109 /nfs/dbraw/zinc/44/81/09/633448109.db2.gz NKWFJCPTDCRQOE-IJEWVQPXSA-N 2 2 295.427 0.840 20 0 CCADLP CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@H]12 ZINC000990108205 633448112 /nfs/dbraw/zinc/44/81/12/633448112.db2.gz NKWFJCPTDCRQOE-IJEWVQPXSA-N 2 2 295.427 0.840 20 0 CCADLP CCC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+](C)CCO3)CCC[C@H]12 ZINC000990108205 633448113 /nfs/dbraw/zinc/44/81/13/633448113.db2.gz NKWFJCPTDCRQOE-IJEWVQPXSA-N 2 2 295.427 0.840 20 0 CCADLP CCC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](C)CCO3)CCC[C@H]12 ZINC000990108205 633448119 /nfs/dbraw/zinc/44/81/19/633448119.db2.gz NKWFJCPTDCRQOE-IJEWVQPXSA-N 2 2 295.427 0.840 20 0 CCADLP O=C(N[C@H]1CCC[N@@H+](CCF)C1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000898504156 633616855 /nfs/dbraw/zinc/61/68/55/633616855.db2.gz OMSQFOYASUUAAX-UONOGXRCSA-N 2 2 299.390 0.257 20 0 CCADLP O=C(N[C@H]1CCC[N@H+](CCF)C1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000898504156 633616861 /nfs/dbraw/zinc/61/68/61/633616861.db2.gz OMSQFOYASUUAAX-UONOGXRCSA-N 2 2 299.390 0.257 20 0 CCADLP C[C@@H]1CO[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000898668697 633645705 /nfs/dbraw/zinc/64/57/05/633645705.db2.gz JRBZUGMRSULJNW-STQMWFEESA-N 2 2 271.405 0.411 20 0 CCADLP C[C@@H]1CO[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000898668697 633645709 /nfs/dbraw/zinc/64/57/09/633645709.db2.gz JRBZUGMRSULJNW-STQMWFEESA-N 2 2 271.405 0.411 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCC[N@@H+]2CC[C@H](O)C2)c[nH+]1 ZINC000899155295 633745862 /nfs/dbraw/zinc/74/58/62/633745862.db2.gz YNMFZCWAIQVRNR-LBPRGKRZSA-N 2 2 280.372 0.109 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCC[N@H+]2CC[C@H](O)C2)c[nH+]1 ZINC000899155295 633745868 /nfs/dbraw/zinc/74/58/68/633745868.db2.gz YNMFZCWAIQVRNR-LBPRGKRZSA-N 2 2 280.372 0.109 20 0 CCADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccnnc1 ZINC000924754705 633806387 /nfs/dbraw/zinc/80/63/87/633806387.db2.gz GVKAPEISCTTXGV-AAEUAGOBSA-N 2 2 250.346 0.584 20 0 CCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900283888 633983436 /nfs/dbraw/zinc/98/34/36/633983436.db2.gz MAEUEWNHKOZUTB-KYOSRNDESA-N 2 2 294.399 0.399 20 0 CCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900283888 633983443 /nfs/dbraw/zinc/98/34/43/633983443.db2.gz MAEUEWNHKOZUTB-KYOSRNDESA-N 2 2 294.399 0.399 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000900416452 634015651 /nfs/dbraw/zinc/01/56/51/634015651.db2.gz DXNKMYSSNBMBKX-AWEZNQCLSA-N 2 2 292.383 0.666 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000900416452 634015657 /nfs/dbraw/zinc/01/56/57/634015657.db2.gz DXNKMYSSNBMBKX-AWEZNQCLSA-N 2 2 292.383 0.666 20 0 CCADLP Cc1cc(NC(=O)C[C@]2(O)CCC[N@@H+](C)C2)cc[nH+]1 ZINC000900672708 634068012 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Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@H+](C[C@@H](C)O)C1 ZINC001009347068 650143367 /nfs/dbraw/zinc/14/33/67/650143367.db2.gz PFQIEFKKFZFSLC-PWSUYJOCSA-N 2 2 280.372 0.222 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC000901161368 634203971 /nfs/dbraw/zinc/20/39/71/634203971.db2.gz AXGMFWUSAGZWQQ-HZSPNIEDSA-N 2 2 292.383 0.662 20 0 CCADLP O=C(CNc1cccc[nH+]1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000908199619 635312015 /nfs/dbraw/zinc/31/20/15/635312015.db2.gz GXLSUKWUMGWMLY-OLZOCXBDSA-N 2 2 290.367 0.161 20 0 CCADLP O=C(CNc1cccc[nH+]1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000908199619 635312020 /nfs/dbraw/zinc/31/20/20/635312020.db2.gz GXLSUKWUMGWMLY-OLZOCXBDSA-N 2 2 290.367 0.161 20 0 CCADLP O=C(CNc1cccc[nH+]1)N[C@H](CO)C[NH+]1CCCC1 ZINC000908200822 635313255 /nfs/dbraw/zinc/31/32/55/635313255.db2.gz AFNDKMXAGFXQHF-LBPRGKRZSA-N 2 2 278.356 0.066 20 0 CCADLP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CNc1cccc[nH+]1 ZINC000910930657 635854606 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AGMHYSOSUIKHBU-GFCCVEGCSA-N 2 2 294.399 0.314 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001000322251 639071190 /nfs/dbraw/zinc/07/11/90/639071190.db2.gz WFCPLKRFEZNCKU-STQMWFEESA-N 2 2 292.383 0.569 20 0 CCADLP CC[C@H](F)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016397804 639551232 /nfs/dbraw/zinc/55/12/32/639551232.db2.gz NOZWPEWTLSTURZ-RYUDHWBXSA-N 2 2 268.336 0.822 20 0 CCADLP CC[C@H](F)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016397804 639551234 /nfs/dbraw/zinc/55/12/34/639551234.db2.gz NOZWPEWTLSTURZ-RYUDHWBXSA-N 2 2 268.336 0.822 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016398124 639551659 /nfs/dbraw/zinc/55/16/59/639551659.db2.gz RHEPBGLNPJWHCB-NEPJUHHUSA-N 2 2 266.345 0.109 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016398124 639551670 /nfs/dbraw/zinc/55/16/70/639551670.db2.gz RHEPBGLNPJWHCB-NEPJUHHUSA-N 2 2 266.345 0.109 20 0 CCADLP C[C@@H](CC[NH2+]Cc1c2c(nn1C)CCOC2)[NH+](C)C 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BBPXQPPVWKBJOG-AJNGGQMLSA-N 3 2 267.417 0.787 20 0 CCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000923323925 640087006 /nfs/dbraw/zinc/08/70/06/640087006.db2.gz BBPXQPPVWKBJOG-AJNGGQMLSA-N 3 2 267.417 0.787 20 0 CCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCN(Cc3ccccn3)CC2)C1 ZINC000923325964 640088602 /nfs/dbraw/zinc/08/86/02/640088602.db2.gz DEOXFGJMANJSEM-QEJZJMRPSA-N 2 2 276.384 0.050 20 0 CCADLP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000923325964 640088611 /nfs/dbraw/zinc/08/86/11/640088611.db2.gz DEOXFGJMANJSEM-QEJZJMRPSA-N 2 2 276.384 0.050 20 0 CCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCO[C@@H](Cc3ccccc3)C2)C1 ZINC000923373820 640109252 /nfs/dbraw/zinc/10/92/52/640109252.db2.gz SVQMXPJMSKIPNO-VGWMRTNUSA-N 2 2 276.380 0.781 20 0 CCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCO[C@@H](Cc3ccccc3)C2)C1 ZINC000923373820 640109254 /nfs/dbraw/zinc/10/92/54/640109254.db2.gz SVQMXPJMSKIPNO-VGWMRTNUSA-N 2 2 276.380 0.781 20 0 CCADLP Cn1nc(C(F)(F)F)cc1C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000923381397 640112065 /nfs/dbraw/zinc/11/20/65/640112065.db2.gz MGSSEMTXTFYBEN-UHFFFAOYSA-N 2 2 292.305 0.725 20 0 CCADLP C[C@@H]1C[N@H+](Cc2cc(=O)n3[nH]ccc3n2)CC[C@H]1C[NH3+] ZINC000923500321 640171233 /nfs/dbraw/zinc/17/12/33/640171233.db2.gz WSCDCJBTTXDPIM-MNOVXSKESA-N 2 2 275.356 0.439 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)CC[C@H]1C[NH3+] ZINC000923500321 640171238 /nfs/dbraw/zinc/17/12/38/640171238.db2.gz WSCDCJBTTXDPIM-MNOVXSKESA-N 2 2 275.356 0.439 20 0 CCADLP Cn1ccnc1[C@@H](O)C1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000843060860 640361001 /nfs/dbraw/zinc/36/10/01/640361001.db2.gz DDQCBLBHZIMGET-LBPRGKRZSA-N 2 2 266.389 0.903 20 0 CCADLP O=C1CC[C@@H]([N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C(=O)N1 ZINC000799123671 640545326 /nfs/dbraw/zinc/54/53/26/640545326.db2.gz CHXIKCDJLLJKRE-CHWSQXEVSA-N 2 2 279.384 0.599 20 0 CCADLP O=C1CC[C@@H]([N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C(=O)N1 ZINC000799123671 640545333 /nfs/dbraw/zinc/54/53/33/640545333.db2.gz CHXIKCDJLLJKRE-CHWSQXEVSA-N 2 2 279.384 0.599 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC2(CC1)OCCCO2)C1CC1 ZINC000815158138 641097720 /nfs/dbraw/zinc/09/77/20/641097720.db2.gz OTEKFTHTSULCQX-AWEZNQCLSA-N 2 2 284.400 0.671 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC2(CC1)OCCCO2)C1CC1 ZINC000815158138 641097723 /nfs/dbraw/zinc/09/77/23/641097723.db2.gz OTEKFTHTSULCQX-AWEZNQCLSA-N 2 2 284.400 0.671 20 0 CCADLP O=C(C[NH+]1CCCC1)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000820974206 641551025 /nfs/dbraw/zinc/55/10/25/641551025.db2.gz CUEWNRYLQHKKMW-GJZGRUSLSA-N 2 2 295.427 0.842 20 0 CCADLP CC[C@H](C[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1)OC ZINC001016108539 650682315 /nfs/dbraw/zinc/68/23/15/650682315.db2.gz UUULVOFTNRUNSY-QWHCGFSZSA-N 2 2 294.399 0.876 20 0 CCADLP CC[C@H](C[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1)OC ZINC001016108539 650682319 /nfs/dbraw/zinc/68/23/19/650682319.db2.gz UUULVOFTNRUNSY-QWHCGFSZSA-N 2 2 294.399 0.876 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827264354 641994128 /nfs/dbraw/zinc/99/41/28/641994128.db2.gz AZLVSNKQXJARPH-AAEUAGOBSA-N 2 2 262.357 0.813 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827264354 641994133 /nfs/dbraw/zinc/99/41/33/641994133.db2.gz AZLVSNKQXJARPH-AAEUAGOBSA-N 2 2 262.357 0.813 20 0 CCADLP C[C@H](F)CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016395866 650725172 /nfs/dbraw/zinc/72/51/72/650725172.db2.gz AQOVIYZPJNPQMP-RYUDHWBXSA-N 2 2 268.336 0.822 20 0 CCADLP C[C@H](F)CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016395866 650725174 /nfs/dbraw/zinc/72/51/74/650725174.db2.gz AQOVIYZPJNPQMP-RYUDHWBXSA-N 2 2 268.336 0.822 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCCCCCC[NH3+] ZINC000831127686 642316550 /nfs/dbraw/zinc/31/65/50/642316550.db2.gz XZRRZJZBACXRCU-ZDUSSCGKSA-N 2 2 286.420 0.525 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCCCCCC[NH3+] ZINC000831127686 642316557 /nfs/dbraw/zinc/31/65/57/642316557.db2.gz XZRRZJZBACXRCU-ZDUSSCGKSA-N 2 2 286.420 0.525 20 0 CCADLP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H](C)[N@H+]1CCO ZINC000836864923 642712521 /nfs/dbraw/zinc/71/25/21/642712521.db2.gz AFSAWOTYKUDFIO-BETUJISGSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H](C)[N@@H+]1CCO ZINC000836864923 642712527 /nfs/dbraw/zinc/71/25/27/642712527.db2.gz AFSAWOTYKUDFIO-BETUJISGSA-N 2 2 283.416 0.384 20 0 CCADLP O=C(CO[C@@H]1CCC[NH2+]C1)NCCCn1cc[nH+]c1 ZINC000844165513 643165835 /nfs/dbraw/zinc/16/58/35/643165835.db2.gz IOZPFEASAVXTBM-GFCCVEGCSA-N 2 2 266.345 0.158 20 0 CCADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000844178360 643173653 /nfs/dbraw/zinc/17/36/53/643173653.db2.gz QOYBSZRTNQKVMJ-FICVDOATSA-N 2 2 282.347 0.954 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000846838219 643462217 /nfs/dbraw/zinc/46/22/17/643462217.db2.gz MIQDLNJQGYUGSP-UWVGGRQHSA-N 2 2 262.313 0.015 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000846838221 643462170 /nfs/dbraw/zinc/46/21/70/643462170.db2.gz MIQDLNJQGYUGSP-VHSXEESVSA-N 2 2 262.313 0.015 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000846838221 643462173 /nfs/dbraw/zinc/46/21/73/643462173.db2.gz MIQDLNJQGYUGSP-VHSXEESVSA-N 2 2 262.313 0.015 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000846838219 643462214 /nfs/dbraw/zinc/46/22/14/643462214.db2.gz MIQDLNJQGYUGSP-UWVGGRQHSA-N 2 2 262.313 0.015 20 0 CCADLP CO[C@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001018337963 650854047 /nfs/dbraw/zinc/85/40/47/650854047.db2.gz OJXGNDQWSAXPMI-MCIONIFRSA-N 2 2 292.383 0.593 20 0 CCADLP CO[C@H](C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001018337963 650854049 /nfs/dbraw/zinc/85/40/49/650854049.db2.gz OJXGNDQWSAXPMI-MCIONIFRSA-N 2 2 292.383 0.593 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000848598598 643659282 /nfs/dbraw/zinc/65/92/82/643659282.db2.gz NLGLYQJBHVONNT-SSDOTTSWSA-N 2 2 265.239 0.109 20 0 CCADLP C[C@H](CNC(=[NH2+])NC1CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000849048156 643709306 /nfs/dbraw/zinc/70/93/06/643709306.db2.gz DYGBZDMTEWWTKE-MXWKQRLJSA-N 2 2 254.378 0.760 20 0 CCADLP C[C@H](CNC(=[NH2+])NC1CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000849048156 643709310 /nfs/dbraw/zinc/70/93/10/643709310.db2.gz DYGBZDMTEWWTKE-MXWKQRLJSA-N 2 2 254.378 0.760 20 0 CCADLP c1nonc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000851727992 643875901 /nfs/dbraw/zinc/87/59/01/643875901.db2.gz CSEROHLTFVJQHH-UHFFFAOYSA-N 2 2 266.345 0.614 20 0 CCADLP Nc1n[nH]c(C2CC[NH+](C[C@H](O)C[NH+]3CCCC3)CC2)n1 ZINC000852057078 643922681 /nfs/dbraw/zinc/92/26/81/643922681.db2.gz MFWBGBVTXBYOBP-GFCCVEGCSA-N 2 2 294.403 0.023 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)c2cccc(C[NH3+])c2)[C@@H](C)CO1 ZINC000852847005 644020561 /nfs/dbraw/zinc/02/05/61/644020561.db2.gz MSKXCSGPAJSXCX-QWHCGFSZSA-N 2 2 291.395 0.984 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)c2cccc(C[NH3+])c2)[C@@H](C)CO1 ZINC000852847005 644020565 /nfs/dbraw/zinc/02/05/65/644020565.db2.gz MSKXCSGPAJSXCX-QWHCGFSZSA-N 2 2 291.395 0.984 20 0 CCADLP Cc1[nH]c(-c2cccc(NC(=O)C3(O)C[NH2+]C3)c2)[nH+]c1C ZINC000852863105 644029629 /nfs/dbraw/zinc/02/96/29/644029629.db2.gz QCHUYBVJLYFQCE-UHFFFAOYSA-N 2 2 286.335 0.966 20 0 CCADLP Cc1cn2cc(NC(=O)C3=NO[C@@H](C[NH3+])C3)ccc2[nH+]1 ZINC000852864908 644031372 /nfs/dbraw/zinc/03/13/72/644031372.db2.gz LWQFQBCVKXSGMB-SNVBAGLBSA-N 2 2 273.296 0.685 20 0 CCADLP Cc1ccc(NC(=O)C(=O)NCC[C@H](C)[NH3+])c(N(C)C)[nH+]1 ZINC000857100959 644465266 /nfs/dbraw/zinc/46/52/66/644465266.db2.gz NXFWLOMXVSXOMS-VIFPVBQESA-N 2 2 293.371 0.248 20 0 CCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[C@H]([NH2+]CCF)C1 ZINC001019061086 650934834 /nfs/dbraw/zinc/93/48/34/650934834.db2.gz QHWWWMBYDYEIRS-RYUDHWBXSA-N 2 2 280.347 0.606 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+]Cc2ccon2)C1 ZINC001019153383 650941991 /nfs/dbraw/zinc/94/19/91/650941991.db2.gz VWMOLKVZASDDQE-ZDUSSCGKSA-N 2 2 289.339 0.570 20 0 CCADLP Cc1c[nH+]cn1CC(=O)OCCC[NH+]1CCOCC1 ZINC000859948514 644748675 /nfs/dbraw/zinc/74/86/75/644748675.db2.gz UTIWBXOYXMGWKV-UHFFFAOYSA-N 2 2 267.329 0.457 20 0 CCADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(N)=[NH2+])C2)c1 ZINC000864358075 645216527 /nfs/dbraw/zinc/21/65/27/645216527.db2.gz HFPAUUDRFPVNPW-ZDUSSCGKSA-N 2 2 262.357 0.679 20 0 CCADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(N)=[NH2+])C2)c1 ZINC000864358075 645216530 /nfs/dbraw/zinc/21/65/30/645216530.db2.gz HFPAUUDRFPVNPW-ZDUSSCGKSA-N 2 2 262.357 0.679 20 0 CCADLP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]([NH2+]Cc3cnon3)C2)C1 ZINC001019653205 650996050 /nfs/dbraw/zinc/99/60/50/650996050.db2.gz GBFOHTGYSBCDDG-RYUDHWBXSA-N 2 2 293.371 0.102 20 0 CCADLP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]([NH2+]Cc3cnon3)C2)C1 ZINC001019653205 650996052 /nfs/dbraw/zinc/99/60/52/650996052.db2.gz GBFOHTGYSBCDDG-RYUDHWBXSA-N 2 2 293.371 0.102 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000865344978 645357282 /nfs/dbraw/zinc/35/72/82/645357282.db2.gz UJXBMGPVBZQAHA-CHWSQXEVSA-N 2 2 277.372 0.809 20 0 CCADLP O=C([C@@H](O)c1c[nH+]c[nH]1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000865588347 645384964 /nfs/dbraw/zinc/38/49/64/645384964.db2.gz CQFWYXFWUZURMS-AAEUAGOBSA-N 2 2 278.356 0.530 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001020296618 651056995 /nfs/dbraw/zinc/05/69/95/651056995.db2.gz XWOPJHBSVZRXND-DLOVCJGASA-N 2 2 288.351 0.794 20 0 CCADLP C[C@@H](CNC(=O)CC[NH2+]CC1CC1)[NH+]1CCN(C)CC1 ZINC000870889377 646037619 /nfs/dbraw/zinc/03/76/19/646037619.db2.gz IMXORXMZEKXHIY-ZDUSSCGKSA-N 2 2 282.432 0.128 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000871600830 646157050 /nfs/dbraw/zinc/15/70/50/646157050.db2.gz YBNDTKSHLDAQHJ-BZPMIXESSA-N 2 2 277.372 0.855 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000871600175 646157279 /nfs/dbraw/zinc/15/72/79/646157279.db2.gz KJPCCIGIMZXFAH-OCCSQVGLSA-N 2 2 277.372 0.857 20 0 CCADLP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1nnnn1C1CC1 ZINC000873220204 646361613 /nfs/dbraw/zinc/36/16/13/646361613.db2.gz QRVMPNURZNCCBD-LPEHRKFASA-N 2 2 250.350 0.929 20 0 CCADLP O=C(NCCn1cc[nH+]c1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000874434006 646464321 /nfs/dbraw/zinc/46/43/21/646464321.db2.gz XPUQILOWRQDQKH-VXGBXAGGSA-N 2 2 263.345 0.419 20 0 CCADLP O=C([C@@H](F)[C@H]1CC[NH2+]C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000876708227 646647440 /nfs/dbraw/zinc/64/74/40/646647440.db2.gz ISGGESCUNLASRT-JSGCOSHPSA-N 2 2 292.358 0.678 20 0 CCADLP C[C@H]([NH3+])CN(C)C(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000877104221 646732652 /nfs/dbraw/zinc/73/26/52/646732652.db2.gz FORMCXOCDAMKFT-CPCISQLKSA-N 2 2 257.284 0.770 20 0 CCADLP C[C@H]([NH3+])CN(C)C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000877108552 646734897 /nfs/dbraw/zinc/73/48/97/646734897.db2.gz SNZYOFAMMUNEFU-JTQLQIEISA-N 2 2 274.324 0.997 20 0 CCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877273404 646776016 /nfs/dbraw/zinc/77/60/16/646776016.db2.gz DMHJUATYCICQJQ-JHJVBQTASA-N 2 2 274.368 0.798 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C(CC)(CC)C[NH3+] ZINC000877432390 646814300 /nfs/dbraw/zinc/81/43/00/646814300.db2.gz CRWGLNBCGMARPP-ZDUSSCGKSA-N 2 2 285.432 0.979 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C(CC)(CC)C[NH3+] ZINC000877432390 646814305 /nfs/dbraw/zinc/81/43/05/646814305.db2.gz CRWGLNBCGMARPP-ZDUSSCGKSA-N 2 2 285.432 0.979 20 0 CCADLP Cn1cc(CCC[NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)cn1 ZINC000877665402 646833404 /nfs/dbraw/zinc/83/34/04/646833404.db2.gz UMFQBSZYLBTRME-AWEZNQCLSA-N 2 2 280.416 0.788 20 0 CCADLP Cn1cc(CCC[NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)cn1 ZINC000877665402 646833407 /nfs/dbraw/zinc/83/34/07/646833407.db2.gz UMFQBSZYLBTRME-AWEZNQCLSA-N 2 2 280.416 0.788 20 0 CCADLP C[C@H]1COC(C)(C)C[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878507834 646926179 /nfs/dbraw/zinc/92/61/79/646926179.db2.gz PEXWPWCKBBTXII-LBPRGKRZSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H]1COC(C)(C)C[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878507834 646926182 /nfs/dbraw/zinc/92/61/82/646926182.db2.gz PEXWPWCKBBTXII-LBPRGKRZSA-N 2 2 283.416 0.696 20 0 CCADLP O=C1OCC[C@H]1[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878743605 646972862 /nfs/dbraw/zinc/97/28/62/646972862.db2.gz JBYWZSIOCVCDJV-CYBMUJFWSA-N 2 2 261.325 0.909 20 0 CCADLP O=C1OCC[C@H]1[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878743605 646972869 /nfs/dbraw/zinc/97/28/69/646972869.db2.gz JBYWZSIOCVCDJV-CYBMUJFWSA-N 2 2 261.325 0.909 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](CC1CC1)[C@@H](C(N)=O)C1CC1 ZINC000879487393 647065139 /nfs/dbraw/zinc/06/51/39/647065139.db2.gz WBDWRAWIZKYMOH-LSDHHAIUSA-N 2 2 297.443 0.663 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](CC1CC1)[C@@H](C(N)=O)C1CC1 ZINC000879487393 647065144 /nfs/dbraw/zinc/06/51/44/647065144.db2.gz WBDWRAWIZKYMOH-LSDHHAIUSA-N 2 2 297.443 0.663 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](CC1CC1)[C@@H](C(N)=O)C1CC1 ZINC000879487393 647065148 /nfs/dbraw/zinc/06/51/48/647065148.db2.gz WBDWRAWIZKYMOH-LSDHHAIUSA-N 2 2 297.443 0.663 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](CC1CC1)[C@@H](C(N)=O)C1CC1 ZINC000879487393 647065151 /nfs/dbraw/zinc/06/51/51/647065151.db2.gz WBDWRAWIZKYMOH-LSDHHAIUSA-N 2 2 297.443 0.663 20 0 CCADLP O=C1NCCO[C@@H]2CCC[N@H+](CCCn3cc[nH+]c3)[C@@H]12 ZINC000879722788 647101623 /nfs/dbraw/zinc/10/16/23/647101623.db2.gz XWLKTOFCFPOSAN-CHWSQXEVSA-N 2 2 278.356 0.253 20 0 CCADLP O=C1NCCO[C@@H]2CCC[N@@H+](CCCn3cc[nH+]c3)[C@@H]12 ZINC000879722788 647101629 /nfs/dbraw/zinc/10/16/29/647101629.db2.gz XWLKTOFCFPOSAN-CHWSQXEVSA-N 2 2 278.356 0.253 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[C@@H]3[C@@H]2CCC[NH+]3C)CCO1 ZINC000880136859 647159873 /nfs/dbraw/zinc/15/98/73/647159873.db2.gz UAWYEAMWHBGHOH-KFWWJZLASA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[C@@H]3[C@@H]2CCC[NH+]3C)CCO1 ZINC000880136859 647159875 /nfs/dbraw/zinc/15/98/75/647159875.db2.gz UAWYEAMWHBGHOH-KFWWJZLASA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)CCO1 ZINC000880136859 647159877 /nfs/dbraw/zinc/15/98/77/647159877.db2.gz UAWYEAMWHBGHOH-KFWWJZLASA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[C@@H]3[C@@H]2CCC[N@H+]3C)CCO1 ZINC000880136859 647159879 /nfs/dbraw/zinc/15/98/79/647159879.db2.gz UAWYEAMWHBGHOH-KFWWJZLASA-N 2 2 267.417 0.876 20 0 CCADLP O[C@@H](C[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1)C1CC1 ZINC000880206863 647170216 /nfs/dbraw/zinc/17/02/16/647170216.db2.gz LOXPAMYFRWPQFQ-CABCVRRESA-N 2 2 268.401 0.990 20 0 CCADLP O[C@@H](C[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1)C1CC1 ZINC000880206863 647170227 /nfs/dbraw/zinc/17/02/27/647170227.db2.gz LOXPAMYFRWPQFQ-CABCVRRESA-N 2 2 268.401 0.990 20 0 CCADLP C[C@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)CCN1c1cc[nH+]cc1 ZINC000880258805 647176656 /nfs/dbraw/zinc/17/66/56/647176656.db2.gz COONZRZEOCARNL-AAEUAGOBSA-N 2 2 288.351 0.397 20 0 CCADLP C[C@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)CCN1c1cc[nH+]cc1 ZINC000880258805 647176661 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OC[C@H](C[C@@H]1CCCO1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000886670300 647998126 /nfs/dbraw/zinc/99/81/26/647998126.db2.gz MPYNZTJSGFUTTK-JYJNAYRXSA-N 2 2 298.427 0.759 20 0 CCADLP [NH3+]C[C@H]1CCCN1C(=O)NCCCn1cc[nH+]c1 ZINC000887280703 648086705 /nfs/dbraw/zinc/08/67/05/648086705.db2.gz GHCNIWCDJXLNNO-LLVKDONJSA-N 2 2 251.334 0.406 20 0 CCADLP c1cn(CC[NH2+][C@H]2CCOC23CCOCC3)c[nH+]1 ZINC000924550313 648370308 /nfs/dbraw/zinc/37/03/08/648370308.db2.gz BWLBQFSGZNQXJR-LBPRGKRZSA-N 2 2 251.330 0.811 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@@H]2CC[NH+]2C)[C@@H](C)CO1 ZINC000925434401 648434904 /nfs/dbraw/zinc/43/49/04/648434904.db2.gz JKPSLZPRKPBMBV-XQQFMLRXSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H]2CC[NH+]2C)[C@@H](C)CO1 ZINC000925434401 648434907 /nfs/dbraw/zinc/43/49/07/648434907.db2.gz JKPSLZPRKPBMBV-XQQFMLRXSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2CC[N@@H+]2C)[C@@H](C)CO1 ZINC000925434401 648434911 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0 CCADLP O=C1OC[C@@]2(C[NH2+][C@@H]3CC[NH2+]C34CCC4)COCCN12 ZINC000925734427 648458601 /nfs/dbraw/zinc/45/86/01/648458601.db2.gz PILWOXVSSZUGHL-DGCLKSJQSA-N 2 2 281.356 0.082 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925803169 648462071 /nfs/dbraw/zinc/46/20/71/648462071.db2.gz NAENCLIMAXHHMO-XJFOESAGSA-N 3 2 255.406 0.589 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCO[C@@H]1CCOC1 ZINC000925874052 648467904 /nfs/dbraw/zinc/46/79/04/648467904.db2.gz GYZLBAPBFFQRQC-JHJVBQTASA-N 2 2 258.362 0.149 20 0 CCADLP C[C@H](C[C@H]1CCC(=O)N1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000926449374 648504053 /nfs/dbraw/zinc/50/40/53/648504053.db2.gz FYTCEBCUTBJJJN-MXWKQRLJSA-N 2 2 262.357 0.914 20 0 CCADLP O[C@H](C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)C1(O)CCC1 ZINC000929804901 648794263 /nfs/dbraw/zinc/79/42/63/648794263.db2.gz ZLKWMUICLSVWRU-GFCCVEGCSA-N 2 2 265.357 0.865 20 0 CCADLP OCC1([NH2+]CC2CC2)CC[NH+](CCOC2CC2)CC1 ZINC000930676522 648889713 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291.395 0.934 20 0 CCADLP C[C@](O)(C[C@@H](O)C[N@H+]1CCc2[nH+]ccc(N)c2C1)C1CC1 ZINC000931516851 648999833 /nfs/dbraw/zinc/99/98/33/648999833.db2.gz PNPDUTGOBIVXQI-WBMJQRKESA-N 2 2 291.395 0.934 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC000932759292 649088786 /nfs/dbraw/zinc/08/87/86/649088786.db2.gz LDNNDCNEGVOJEZ-CYBMUJFWSA-N 2 2 299.415 0.652 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC000932759292 649088788 /nfs/dbraw/zinc/08/87/88/649088788.db2.gz LDNNDCNEGVOJEZ-CYBMUJFWSA-N 2 2 299.415 0.652 20 0 CCADLP C[C@@H](CNC(=O)c1coc(C[NH3+])c1)C[NH+]1CCOCC1 ZINC000188142420 649342151 /nfs/dbraw/zinc/34/21/51/649342151.db2.gz ZIRLGBSFHUKZEP-NSHDSACASA-N 2 2 281.356 0.436 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000950808113 649499881 /nfs/dbraw/zinc/49/98/81/649499881.db2.gz NAGRNZUPYVCNNK-ZDUSSCGKSA-N 2 2 292.383 0.523 20 0 CCADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000091299610 649702242 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CCc1nc(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cc(C)[nH+]1 ZINC000342707574 719447962 /nfs/dbraw/zinc/44/79/62/719447962.db2.gz SZSBNMDZXJNDJB-RYUDHWBXSA-N 2 2 262.357 0.867 20 0 CCADLP CCc1nc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)cc(C)[nH+]1 ZINC000342707574 719447963 /nfs/dbraw/zinc/44/79/63/719447963.db2.gz SZSBNMDZXJNDJB-RYUDHWBXSA-N 2 2 262.357 0.867 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCO ZINC001230018860 805577260 /nfs/dbraw/zinc/57/72/60/805577260.db2.gz HPDTYDIBQAXRAN-ZIAGYGMSSA-N 2 2 294.399 0.362 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1[NH2+]CCCO ZINC001230352761 805597131 /nfs/dbraw/zinc/59/71/31/805597131.db2.gz OAJUABWDWRVQIE-CHWSQXEVSA-N 2 2 280.372 0.283 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](C[C@H]2CCC[NH+](C)C2)CCC1=O ZINC001208618069 790433779 /nfs/dbraw/zinc/43/37/79/790433779.db2.gz RMZUKGHGBPEXBZ-HNNXBMFYSA-N 3 2 296.459 0.424 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](C[C@H]2CCC[NH+](C)C2)CCC1=O ZINC001208618069 790433787 /nfs/dbraw/zinc/43/37/87/790433787.db2.gz RMZUKGHGBPEXBZ-HNNXBMFYSA-N 3 2 296.459 0.424 20 0 CCADLP C[NH+](C)CCN1CC[NH+](C[C@H]2CCC[N@H+](C)C2)CCC1=O ZINC001208618069 790433792 /nfs/dbraw/zinc/43/37/92/790433792.db2.gz RMZUKGHGBPEXBZ-HNNXBMFYSA-N 3 2 296.459 0.424 20 0 CCADLP C[NH+](C)CCN1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)CCC1=O ZINC001208618069 790433801 /nfs/dbraw/zinc/43/38/01/790433801.db2.gz RMZUKGHGBPEXBZ-HNNXBMFYSA-N 3 2 296.459 0.424 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]CCC[C@H]1CCOC1 ZINC001167346101 790934034 /nfs/dbraw/zinc/93/40/34/790934034.db2.gz HDKSQTQMIATGHL-ZDUSSCGKSA-N 2 2 294.399 0.865 20 0 CCADLP CCCCOCC[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167349748 790944159 /nfs/dbraw/zinc/94/41/59/790944159.db2.gz FLIFUNPGNBSQHB-UHFFFAOYSA-N 2 2 282.388 0.865 20 0 CCADLP COCCCCC[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167350310 790947963 /nfs/dbraw/zinc/94/79/63/790947963.db2.gz SURHOMJDYVROHR-UHFFFAOYSA-N 2 2 282.388 0.865 20 0 CCADLP Cc1ncccc1C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167355684 790957406 /nfs/dbraw/zinc/95/74/06/790957406.db2.gz VUFXHPYLKFKWEU-UHFFFAOYSA-N 2 2 287.367 0.952 20 0 CCADLP Cn1cnnc1C[N@@H+]1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001277624266 805905091 /nfs/dbraw/zinc/90/50/91/805905091.db2.gz UEQLBBRDJPSZQH-UHFFFAOYSA-N 2 2 292.431 0.275 20 0 CCADLP Cn1cnnc1C[N@H+]1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001277624266 805905095 /nfs/dbraw/zinc/90/50/95/805905095.db2.gz UEQLBBRDJPSZQH-UHFFFAOYSA-N 2 2 292.431 0.275 20 0 CCADLP CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1c[nH+]c(C)[nH]1)C2 ZINC001232460440 805940151 /nfs/dbraw/zinc/94/01/51/805940151.db2.gz SANPAZOPHAQYNH-TZMCWYRMSA-N 2 2 278.356 0.445 20 0 CCADLP CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1c[nH+]c(C)[nH]1)C2 ZINC001232460440 805940156 /nfs/dbraw/zinc/94/01/56/805940156.db2.gz SANPAZOPHAQYNH-TZMCWYRMSA-N 2 2 278.356 0.445 20 0 CCADLP C[N@@H+]1C[C@H]2C(=O)NC3(CCN(c4cccc[nH+]4)CC3)[C@@H]2C1 ZINC001277752131 806011346 /nfs/dbraw/zinc/01/13/46/806011346.db2.gz BPPRXLAKPOFENB-CHWSQXEVSA-N 2 2 286.379 0.728 20 0 CCADLP C[N@H+]1C[C@H]2C(=O)NC3(CCN(c4cccc[nH+]4)CC3)[C@@H]2C1 ZINC001277752131 806011356 /nfs/dbraw/zinc/01/13/56/806011356.db2.gz BPPRXLAKPOFENB-CHWSQXEVSA-N 2 2 286.379 0.728 20 0 CCADLP CC(C)OCC[NH2+][C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001266704001 791158910 /nfs/dbraw/zinc/15/89/10/791158910.db2.gz VXICMLVROWCLPH-OKILXGFUSA-N 2 2 294.399 0.935 20 0 CCADLP CCc1nnc(C[NH2+]CCN(C)C(=O)CC[NH+](C)C)o1 ZINC001266826857 791272593 /nfs/dbraw/zinc/27/25/93/791272593.db2.gz AAGSBCHDJIVMRX-UHFFFAOYSA-N 2 2 283.376 0.132 20 0 CCADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891819689 791333616 /nfs/dbraw/zinc/33/36/16/791333616.db2.gz REBCHUYBJVVQCH-FRRDWIJNSA-N 2 2 289.383 0.734 20 0 CCADLP COCC[NH2+][C@@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001266956033 791392363 /nfs/dbraw/zinc/39/23/63/791392363.db2.gz KNEUPQFPAOJAGJ-NSHDSACASA-N 2 2 276.340 0.689 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CCOC1CCC1 ZINC001266981876 791419326 /nfs/dbraw/zinc/41/93/26/791419326.db2.gz SJLCAQOLYTUPDZ-LLVKDONJSA-N 2 2 280.372 0.616 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CCC1CC1 ZINC001266995624 791429177 /nfs/dbraw/zinc/42/91/77/791429177.db2.gz JHSATDJDHSWPNB-LLVKDONJSA-N 2 2 250.346 0.778 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+]Cc1cccnc1 ZINC001267016828 791453094 /nfs/dbraw/zinc/45/30/94/791453094.db2.gz BEPHILZYRFHVFR-UHFFFAOYSA-N 2 2 287.367 0.904 20 0 CCADLP [NH3+]Cc1cccn1-c1cc[nH+]c(N2CCC([NH3+])CC2)n1 ZINC001167586028 791592090 /nfs/dbraw/zinc/59/20/90/791592090.db2.gz IFQJHPLEYOQFCR-UHFFFAOYSA-N 3 2 272.356 0.654 20 0 CCADLP CCS(=O)(=O)CC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693677399 791678023 /nfs/dbraw/zinc/67/80/23/791678023.db2.gz KHCPMPFZRZZKEB-GRYCIOLGSA-N 2 2 274.430 0.787 20 0 CCADLP CC(C)(C)OC[C@H](O)C[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246021038 807119727 /nfs/dbraw/zinc/11/97/27/807119727.db2.gz DLZQBOAORXKKCB-RDBSUJKOSA-N 2 2 285.432 0.188 20 0 CCADLP CC(C)(C)OC[C@H](O)C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246021038 807119730 /nfs/dbraw/zinc/11/97/30/807119730.db2.gz DLZQBOAORXKKCB-RDBSUJKOSA-N 2 2 285.432 0.188 20 0 CCADLP Fc1ccc2c(c1)[nH]nc2CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234988936 806334949 /nfs/dbraw/zinc/33/49/49/806334949.db2.gz KBZXVVFAFAGHKW-OAHLLOKOSA-N 2 2 289.358 0.839 20 0 CCADLP c1[nH+]c(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c2ccccn12 ZINC001234990383 806335158 /nfs/dbraw/zinc/33/51/58/806335158.db2.gz SHUBJDIDBWTFMJ-HNNXBMFYSA-N 3 2 271.368 0.472 20 0 CCADLP Oc1cnc(Cl)cc1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234993595 806339582 /nfs/dbraw/zinc/33/95/82/806339582.db2.gz VGQYFRLHZVKZCI-ZDUSSCGKSA-N 2 2 282.775 0.578 20 0 CCADLP Cc1cc(O)cc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235060316 806362289 /nfs/dbraw/zinc/36/22/89/806362289.db2.gz HJSJMDQAZYWTKL-OAHLLOKOSA-N 2 2 261.369 0.838 20 0 CCADLP Cc1cc(O)cc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235060316 806362297 /nfs/dbraw/zinc/36/22/97/806362297.db2.gz HJSJMDQAZYWTKL-OAHLLOKOSA-N 2 2 261.369 0.838 20 0 CCADLP C(C[N@@H+]1CCCC[C@]12CC[NH2+]C2)[C@H]1C[NH2+]CCO1 ZINC001235122634 806373751 /nfs/dbraw/zinc/37/37/51/806373751.db2.gz HNZKZHPKKOTISI-UONOGXRCSA-N 3 2 253.390 0.583 20 0 CCADLP C(C[N@H+]1CCCC[C@]12CC[NH2+]C2)[C@H]1C[NH2+]CCO1 ZINC001235122634 806373761 /nfs/dbraw/zinc/37/37/61/806373761.db2.gz HNZKZHPKKOTISI-UONOGXRCSA-N 3 2 253.390 0.583 20 0 CCADLP OCCC[N@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001235479724 806429094 /nfs/dbraw/zinc/42/90/94/806429094.db2.gz QWHPDLULXTWWSW-GASCZTMLSA-N 2 2 261.369 0.828 20 0 CCADLP OCCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001235479724 806429098 /nfs/dbraw/zinc/42/90/98/806429098.db2.gz QWHPDLULXTWWSW-GASCZTMLSA-N 2 2 261.369 0.828 20 0 CCADLP OCCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001235479724 806429102 /nfs/dbraw/zinc/42/91/02/806429102.db2.gz QWHPDLULXTWWSW-GASCZTMLSA-N 2 2 261.369 0.828 20 0 CCADLP OCCC[NH+]1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001235479724 806429106 /nfs/dbraw/zinc/42/91/06/806429106.db2.gz QWHPDLULXTWWSW-GASCZTMLSA-N 2 2 261.369 0.828 20 0 CCADLP OCC[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001235562842 806457363 /nfs/dbraw/zinc/45/73/63/806457363.db2.gz ZCENVPLILQZTAJ-CABCVRRESA-N 2 2 261.369 0.828 20 0 CCADLP OCC[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001235562842 806457367 /nfs/dbraw/zinc/45/73/67/806457367.db2.gz ZCENVPLILQZTAJ-CABCVRRESA-N 2 2 261.369 0.828 20 0 CCADLP OCC[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001235562842 806457372 /nfs/dbraw/zinc/45/73/72/806457372.db2.gz ZCENVPLILQZTAJ-CABCVRRESA-N 2 2 261.369 0.828 20 0 CCADLP OCC[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001235562842 806457379 /nfs/dbraw/zinc/45/73/79/806457379.db2.gz ZCENVPLILQZTAJ-CABCVRRESA-N 2 2 261.369 0.828 20 0 CCADLP [NH3+]CC[N@@H+]1CC[C@H]2[C@@H](CC(=O)NCC3CC3)OC[C@H]2C1 ZINC001235568756 806459560 /nfs/dbraw/zinc/45/95/60/806459560.db2.gz KWUOUQFPKRRBKQ-MGPQQGTHSA-N 2 2 281.400 0.198 20 0 CCADLP [NH3+]CC[N@H+]1CC[C@H]2[C@@H](CC(=O)NCC3CC3)OC[C@H]2C1 ZINC001235568756 806459562 /nfs/dbraw/zinc/45/95/62/806459562.db2.gz KWUOUQFPKRRBKQ-MGPQQGTHSA-N 2 2 281.400 0.198 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1CC[C@]2(CC(=O)N(c3ccccn3)C2)C1 ZINC001235634735 806478251 /nfs/dbraw/zinc/47/82/51/806478251.db2.gz XGSSOCRPDOEDNW-WFASDCNBSA-N 2 2 274.368 0.858 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1CC[C@]2(CC(=O)N(c3ccccn3)C2)C1 ZINC001235634735 806478258 /nfs/dbraw/zinc/47/82/58/806478258.db2.gz XGSSOCRPDOEDNW-WFASDCNBSA-N 2 2 274.368 0.858 20 0 CCADLP C[C@@H]([NH3+])C[NH+]1CCC2(CC(N3CCCC3)=NO2)CC1 ZINC001235644884 806481399 /nfs/dbraw/zinc/48/13/99/806481399.db2.gz RBGCTQWHMCFPGZ-GFCCVEGCSA-N 2 2 266.389 0.998 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([NH3+])C[N@H+](CCC2CC[NH2+]CC2)C1 ZINC001235779086 806501494 /nfs/dbraw/zinc/50/14/94/806501494.db2.gz WTOJNGOYLRXSDJ-OLZOCXBDSA-N 3 2 269.389 0.198 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([NH3+])C[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC001235779086 806501500 /nfs/dbraw/zinc/50/15/00/806501500.db2.gz WTOJNGOYLRXSDJ-OLZOCXBDSA-N 3 2 269.389 0.198 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N(C)C[C@H]2CC[N@@H+]2CCO)c[nH+]1 ZINC001235796994 806503418 /nfs/dbraw/zinc/50/34/18/806503418.db2.gz MSKLHDRBKOLRGJ-CYBMUJFWSA-N 2 2 294.399 0.452 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N(C)C[C@H]2CC[N@H+]2CCO)c[nH+]1 ZINC001235796994 806503422 /nfs/dbraw/zinc/50/34/22/806503422.db2.gz MSKLHDRBKOLRGJ-CYBMUJFWSA-N 2 2 294.399 0.452 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](C)C[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001235893624 806515479 /nfs/dbraw/zinc/51/54/79/806515479.db2.gz XPSUSDPIUTZAFZ-UTUOFQBUSA-N 2 2 270.373 0.842 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](C)C[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001235893624 806515488 /nfs/dbraw/zinc/51/54/88/806515488.db2.gz XPSUSDPIUTZAFZ-UTUOFQBUSA-N 2 2 270.373 0.842 20 0 CCADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1CN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC001235911177 806515944 /nfs/dbraw/zinc/51/59/44/806515944.db2.gz OPMMDOPYNDSEMJ-LMLFDSFASA-N 2 2 265.323 0.848 20 0 CCADLP COC(=O)[C@@H]1C[NH2+]CCN1Cc1cccc2[nH+]ccn21 ZINC001236056389 806538871 /nfs/dbraw/zinc/53/88/71/806538871.db2.gz FZCYJVYYNGKBRK-LBPRGKRZSA-N 2 2 274.324 0.281 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@@H](N[C@@H]2CCCC[C@@H]2[NH3+])C[NH2+]1 ZINC001246101910 807154486 /nfs/dbraw/zinc/15/44/86/807154486.db2.gz MVRJHMZABYBHGL-GFQSEFKGSA-N 2 2 269.389 0.530 20 0 CCADLP C[C@H]([NH3+])CN(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001236387091 806589508 /nfs/dbraw/zinc/58/95/08/806589508.db2.gz UOUCEHILIDJDFB-HNNXBMFYSA-N 3 2 298.475 0.358 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CCC[C@H]1C[NH2+]CCCO ZINC001277991132 806598912 /nfs/dbraw/zinc/59/89/12/806598912.db2.gz SYAMQZJVMOHTNN-AWEZNQCLSA-N 2 2 294.399 0.316 20 0 CCADLP CN1CCO[C@]2(CCC[N@H+](CCC[NH+](C)C)C2)C1 ZINC001278049075 806637547 /nfs/dbraw/zinc/63/75/47/806637547.db2.gz UOPQQZAXWDHOHT-CQSZACIVSA-N 2 2 255.406 0.735 20 0 CCADLP CN1CCO[C@]2(CCC[N@@H+](CCC[NH+](C)C)C2)C1 ZINC001278049075 806637554 /nfs/dbraw/zinc/63/75/54/806637554.db2.gz UOPQQZAXWDHOHT-CQSZACIVSA-N 2 2 255.406 0.735 20 0 CCADLP CN1CC[NH+](CCCN2CC3(CC[N@@H+]3C)C2)CC1 ZINC001278116929 806689646 /nfs/dbraw/zinc/68/96/46/806689646.db2.gz IYYGWQSFSFSVRI-UHFFFAOYSA-N 2 2 252.406 0.014 20 0 CCADLP CN1CC[NH+](CCCN2CC3(CC[N@H+]3C)C2)CC1 ZINC001278116929 806689649 /nfs/dbraw/zinc/68/96/49/806689649.db2.gz IYYGWQSFSFSVRI-UHFFFAOYSA-N 2 2 252.406 0.014 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)Nc1cc[nH+]c(N)n1 ZINC001120962861 798970271 /nfs/dbraw/zinc/97/02/71/798970271.db2.gz LQDDWWNAWAXAIS-JTQLQIEISA-N 2 2 251.334 0.582 20 0 CCADLP C[C@@H](CNC(=O)C12CCC(CC1)[NH2+]2)Cn1cc[nH+]c1 ZINC001121909799 799090964 /nfs/dbraw/zinc/09/09/64/799090964.db2.gz CAAIYLPPMOJBKZ-DCBWTQNWSA-N 2 2 262.357 0.920 20 0 CCADLP CC[NH+]1CCN(CCCNC(=O)C[C@@H]([NH3+])C(F)F)CC1 ZINC001121927735 799097088 /nfs/dbraw/zinc/09/70/88/799097088.db2.gz FJGWTXGVGSKTEL-LLVKDONJSA-N 2 2 292.374 0.113 20 0 CCADLP Cc1cnc(C[N@@H+]2CCC(=O)N(CC[NH+](C)C)CC2)nc1 ZINC001237808755 806719894 /nfs/dbraw/zinc/71/98/94/806719894.db2.gz QMJJYDFCVVNKCW-UHFFFAOYSA-N 2 2 291.399 0.381 20 0 CCADLP Cc1cnc(C[N@H+]2CCC(=O)N(CC[NH+](C)C)CC2)nc1 ZINC001237808755 806719898 /nfs/dbraw/zinc/71/98/98/806719898.db2.gz QMJJYDFCVVNKCW-UHFFFAOYSA-N 2 2 291.399 0.381 20 0 CCADLP C[N@H+](CC(=O)N1CCNCC[NH2+]CC1)Cc1ccccc1 ZINC001122287512 799187559 /nfs/dbraw/zinc/18/75/59/799187559.db2.gz CYQXCWAKTISWKZ-UHFFFAOYSA-N 2 2 290.411 0.140 20 0 CCADLP C[N@@H+](CC(=O)N1CCNCC[NH2+]CC1)Cc1ccccc1 ZINC001122287512 799187561 /nfs/dbraw/zinc/18/75/61/799187561.db2.gz CYQXCWAKTISWKZ-UHFFFAOYSA-N 2 2 290.411 0.140 20 0 CCADLP COCC[C@H]1C[NH2+]CCN1C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001122314302 799194979 /nfs/dbraw/zinc/19/49/79/799194979.db2.gz YQGKPRSEYBRNPG-NEPJUHHUSA-N 2 2 266.345 0.281 20 0 CCADLP OC[C@@H]1CC[N@H+](Cc2cccc3c[nH+]cn32)C[C@@H]1O ZINC001238104460 806750364 /nfs/dbraw/zinc/75/03/64/806750364.db2.gz VRXOICVZOQGXOG-FZMZJTMJSA-N 2 2 261.325 0.509 20 0 CCADLP OC[C@@H]1CC[N@@H+](Cc2cccc3c[nH+]cn32)C[C@@H]1O ZINC001238104460 806750368 /nfs/dbraw/zinc/75/03/68/806750368.db2.gz VRXOICVZOQGXOG-FZMZJTMJSA-N 2 2 261.325 0.509 20 0 CCADLP COc1ccnc(C[NH+]2CC3(CN(CC[NH+](C)C)C3)C2)c1 ZINC001276391900 799680232 /nfs/dbraw/zinc/68/02/32/799680232.db2.gz XPTXFKHSSMVRDF-UHFFFAOYSA-N 2 2 290.411 0.769 20 0 CCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[NH+]1CCC([NH+](C)C)CC1 ZINC001138461482 799728729 /nfs/dbraw/zinc/72/87/29/799728729.db2.gz HGRXRTVKQWZGLD-UHFFFAOYSA-N 2 2 266.345 0.722 20 0 CCADLP Cc1nccnc1C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001140939857 799963074 /nfs/dbraw/zinc/96/30/74/799963074.db2.gz JXBOBMHKMZKMFZ-CYBMUJFWSA-N 2 2 291.399 0.427 20 0 CCADLP Cc1nccnc1C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001140939857 799963081 /nfs/dbraw/zinc/96/30/81/799963081.db2.gz JXBOBMHKMZKMFZ-CYBMUJFWSA-N 2 2 291.399 0.427 20 0 CCADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001141241127 799993401 /nfs/dbraw/zinc/99/34/01/799993401.db2.gz WDHAUTSPVBJEGH-GFCCVEGCSA-N 2 2 294.318 0.819 20 0 CCADLP Cc1ccc(C[N@H+](C)CCN2CC[NH+](C)CC2)c(N)n1 ZINC001143209437 800207529 /nfs/dbraw/zinc/20/75/29/800207529.db2.gz PRJBYPXDOKACAQ-UHFFFAOYSA-N 2 2 277.416 0.651 20 0 CCADLP Cc1ccc(C[N@@H+](C)CCN2CC[NH+](C)CC2)c(N)n1 ZINC001143209437 800207534 /nfs/dbraw/zinc/20/75/34/800207534.db2.gz PRJBYPXDOKACAQ-UHFFFAOYSA-N 2 2 277.416 0.651 20 0 CCADLP CCc1ccc(S(=O)(=O)NCC[NH2+]CC[NH3+])cc1 ZINC001238836839 806811585 /nfs/dbraw/zinc/81/15/85/806811585.db2.gz AECLNMKLCLGLNO-UHFFFAOYSA-N 2 2 271.386 0.076 20 0 CCADLP CC(C)c1ccc(S(=O)(=O)NCC[NH2+]CC[NH3+])cc1 ZINC001238837002 806811746 /nfs/dbraw/zinc/81/17/46/806811746.db2.gz APMZDTZGCDDUMD-UHFFFAOYSA-N 2 2 285.413 0.637 20 0 CCADLP Cc1c[nH]c(CCNC(=O)C2CC[NH+](C)CC2)[nH+]1 ZINC001143313789 800229184 /nfs/dbraw/zinc/22/91/84/800229184.db2.gz LBERIWLNQJALEZ-UHFFFAOYSA-N 2 2 250.346 0.719 20 0 CCADLP CCOCCC[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149570955 800277084 /nfs/dbraw/zinc/27/70/84/800277084.db2.gz IJYGHQAEBLDVEO-UHFFFAOYSA-N 2 2 282.388 0.485 20 0 CCADLP C[NH+]1CCC(CO)(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001151979192 800476520 /nfs/dbraw/zinc/47/65/20/800476520.db2.gz NOTMSEUUXIRSAK-UHFFFAOYSA-N 2 2 288.351 0.749 20 0 CCADLP CC[N@H+](CCF)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001152619412 800542590 /nfs/dbraw/zinc/54/25/90/800542590.db2.gz DZVMULNVXLJQGY-NEPJUHHUSA-N 2 2 275.368 0.113 20 0 CCADLP CC[N@@H+](CCF)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001152619412 800542594 /nfs/dbraw/zinc/54/25/94/800542594.db2.gz DZVMULNVXLJQGY-NEPJUHHUSA-N 2 2 275.368 0.113 20 0 CCADLP CC[NH+](CCF)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001152619412 800542596 /nfs/dbraw/zinc/54/25/96/800542596.db2.gz DZVMULNVXLJQGY-NEPJUHHUSA-N 2 2 275.368 0.113 20 0 CCADLP CC[NH+](CCF)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001152619412 800542599 /nfs/dbraw/zinc/54/25/99/800542599.db2.gz DZVMULNVXLJQGY-NEPJUHHUSA-N 2 2 275.368 0.113 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NCC[NH2+]CCOCC1CC1 ZINC001153350648 800624575 /nfs/dbraw/zinc/62/45/75/800624575.db2.gz GWTPDZHWNQWMCZ-UHFFFAOYSA-N 2 2 294.399 0.796 20 0 CCADLP Cc1ncc(C[NH3+])c(=N)n1C(=O)c1cccc2[nH+]ccn21 ZINC001154526625 800794987 /nfs/dbraw/zinc/79/49/87/800794987.db2.gz XBGYCKRJYTXXCI-UHFFFAOYSA-N 2 2 282.307 0.466 20 0 CCADLP CC[N@H+](C[C@@H](C)O)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001154528902 800795623 /nfs/dbraw/zinc/79/56/23/800795623.db2.gz PKGMCQNNMBLWDF-CHWSQXEVSA-N 2 2 282.388 0.481 20 0 CCADLP CC[N@@H+](C[C@@H](C)O)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001154528902 800795625 /nfs/dbraw/zinc/79/56/25/800795625.db2.gz PKGMCQNNMBLWDF-CHWSQXEVSA-N 2 2 282.388 0.481 20 0 CCADLP Cn1ccnc1CNc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001154617218 800814108 /nfs/dbraw/zinc/81/41/08/800814108.db2.gz KIRAPOQWXKVMOO-UHFFFAOYSA-N 2 2 272.356 0.837 20 0 CCADLP c1ncn(-c2cncc(-n3c[nH+]cc3C3CC[NH2+]CC3)n2)n1 ZINC001155063527 800901157 /nfs/dbraw/zinc/90/11/57/800901157.db2.gz FDTGIFUDMNMWII-UHFFFAOYSA-N 2 2 296.338 0.710 20 0 CCADLP CCCCCCNC(=O)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239285971 806879332 /nfs/dbraw/zinc/87/93/32/806879332.db2.gz AYOFSIGULSMVFR-UHFFFAOYSA-N 2 2 299.463 0.361 20 0 CCADLP C[NH+]1CCN(c2ccc(NCc3cc[nH+]c(N)c3)nn2)CC1 ZINC001156755718 801231590 /nfs/dbraw/zinc/23/15/90/801231590.db2.gz JMUFEKPAGYFHAC-UHFFFAOYSA-N 2 2 299.382 0.818 20 0 CCADLP COC[C@@H](C)[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157264770 801335505 /nfs/dbraw/zinc/33/55/05/801335505.db2.gz JTRWEJXQMTZKNI-LLVKDONJSA-N 2 2 268.361 0.473 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCCC[NH2+]CCOCC1CC1 ZINC001157264109 801335884 /nfs/dbraw/zinc/33/58/84/801335884.db2.gz CTLSDAHYHGSOHA-UHFFFAOYSA-N 2 2 294.399 0.865 20 0 CCADLP Cn1cc[nH+]c1CCNC(=O)c1ccccc1C[NH3+] ZINC001157423258 801378795 /nfs/dbraw/zinc/37/87/95/801378795.db2.gz PWSJMSNCIQBCTF-UHFFFAOYSA-N 2 2 258.325 0.851 20 0 CCADLP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)N1CC[NH+](C)CC1 ZINC001157450430 801386657 /nfs/dbraw/zinc/38/66/57/801386657.db2.gz BCAJSHHEDDWLOF-GHMZBOCLSA-N 2 2 257.378 0.291 20 0 CCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC(=O)[C@H]2CCCC[C@@H]21 ZINC001157567427 801422029 /nfs/dbraw/zinc/42/20/29/801422029.db2.gz LVPBWSPQUQTGRC-YHQUGGNUSA-N 2 2 291.395 0.297 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@](O)(CF)CC1 ZINC001157781425 801482018 /nfs/dbraw/zinc/48/20/18/801482018.db2.gz PAXMAGJCPWHYDQ-GXTWGEPZSA-N 2 2 298.362 0.003 20 0 CCADLP C[C@@H]1CCN(C(=O)[C@]2(C)CC(F)(F)C[NH2+]2)C[C@@H]1[NH3+] ZINC001157798579 801487350 /nfs/dbraw/zinc/48/73/50/801487350.db2.gz FGTARVGGMHAUNO-YWVKMMECSA-N 2 2 261.316 0.569 20 0 CCADLP COC(=O)c1cc(NC(=[NH2+])N2CC[NH+](C)CC2)ncc1F ZINC001157914351 801518398 /nfs/dbraw/zinc/51/83/98/801518398.db2.gz CUXYYTXQIMIZAV-UHFFFAOYSA-N 2 2 295.318 0.601 20 0 CCADLP C[C@@]1(F)CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C[C@H]1F ZINC001157923968 801524715 /nfs/dbraw/zinc/52/47/15/801524715.db2.gz GZOGEKPFGZETCX-NPNZPCOPSA-N 2 2 273.327 0.507 20 0 CCADLP C[C@@]1(CF)CC(F)(F)CN1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001157952164 801537667 /nfs/dbraw/zinc/53/76/67/801537667.db2.gz OIEVSKMQSSUMFH-JTQLQIEISA-N 2 2 279.306 0.663 20 0 CCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])c1ccccc1 ZINC001157998941 801550098 /nfs/dbraw/zinc/55/00/98/801550098.db2.gz KWLUXUMZIIFDOF-OLZOCXBDSA-N 2 2 291.351 0.050 20 0 CCADLP CCCCC[C@H]([NH2+]C)C(=O)N1CC[NH2+]C[C@@H]1C(=O)OCC ZINC001158007445 801552228 /nfs/dbraw/zinc/55/22/28/801552228.db2.gz SBFKBBQPAPWMMJ-QWHCGFSZSA-N 2 2 299.415 0.518 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001158031314 801555604 /nfs/dbraw/zinc/55/56/04/801555604.db2.gz KZCGKHXNBRDVFO-DZKIICNBSA-N 3 2 294.443 0.306 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(CC([NH3+])C2)CC1 ZINC001158082678 801567809 /nfs/dbraw/zinc/56/78/09/801567809.db2.gz QAAPJYHAAFOHOQ-LBPRGKRZSA-N 3 2 277.372 0.009 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158160026 801578561 /nfs/dbraw/zinc/57/85/61/801578561.db2.gz CXLKFKUZSOZKAU-GXTWGEPZSA-N 3 2 277.372 0.024 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1[nH]ccc2nccc1-2 ZINC001158203469 801591997 /nfs/dbraw/zinc/59/19/97/801591997.db2.gz ONYWEARZSOONSH-SECBINFHSA-N 2 2 257.297 0.611 20 0 CCADLP CC(C)c1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ncn1 ZINC001158204936 801593228 /nfs/dbraw/zinc/59/32/28/801593228.db2.gz WNRKZGICMCBSTG-SNVBAGLBSA-N 2 2 261.329 0.648 20 0 CCADLP COc1nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc2ccccc21 ZINC001158206631 801594918 /nfs/dbraw/zinc/59/49/18/801594918.db2.gz WOPQXXIYXCBFOZ-SNVBAGLBSA-N 2 2 299.334 0.686 20 0 CCADLP COc1nc(C)nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1C ZINC001158209384 801596107 /nfs/dbraw/zinc/59/61/07/801596107.db2.gz UCHMVZUXEKVSKR-SNVBAGLBSA-N 2 2 277.328 0.150 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2CC3(C2)CCCO3)cc1 ZINC001158240088 801601782 /nfs/dbraw/zinc/60/17/82/801601782.db2.gz JNWCJEOVDJAKQJ-CYBMUJFWSA-N 2 2 275.352 0.650 20 0 CCADLP c1cc(N2CC[N@H+]3CC[C@@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001158431719 801646546 /nfs/dbraw/zinc/64/65/46/801646546.db2.gz GFFDJMQNJHCHKA-GFCCVEGCSA-N 2 2 275.356 0.208 20 0 CCADLP c1cc(N2CC[N@@H+]3CC[C@@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001158431719 801646549 /nfs/dbraw/zinc/64/65/49/801646549.db2.gz GFFDJMQNJHCHKA-GFCCVEGCSA-N 2 2 275.356 0.208 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CCCC(=O)CC2)cc1 ZINC001158672553 801681244 /nfs/dbraw/zinc/68/12/44/801681244.db2.gz WTSAEQQBGMQGAU-AWEZNQCLSA-N 2 2 275.352 0.840 20 0 CCADLP Cn1c[nH+]cc1CN1CC([N@H+](C)[C@H]2CCOC2)C1 ZINC001204387353 801722157 /nfs/dbraw/zinc/72/21/57/801722157.db2.gz CWLVMUXZPFFOBV-NSHDSACASA-N 2 2 250.346 0.325 20 0 CCADLP Cn1c[nH+]cc1CN1CC([N@@H+](C)[C@H]2CCOC2)C1 ZINC001204387353 801722161 /nfs/dbraw/zinc/72/21/61/801722161.db2.gz CWLVMUXZPFFOBV-NSHDSACASA-N 2 2 250.346 0.325 20 0 CCADLP C[C@@H]1CCCN(c2cc(N[C@@H]3C[NH2+]C[C@H]3CO)nc[nH+]2)C1 ZINC001159680320 801849256 /nfs/dbraw/zinc/84/92/56/801849256.db2.gz HJPNPBQQZYSGFT-FRRDWIJNSA-N 2 2 291.399 0.705 20 0 CCADLP Nc1[nH]c2cc(C(=O)N3CCC([NH3+])CC3)ccc2[nH+]1 ZINC001160524873 801961503 /nfs/dbraw/zinc/96/15/03/801961503.db2.gz QHJPKLPMWPAGDO-UHFFFAOYSA-N 2 2 259.313 0.708 20 0 CCADLP CC(C)[C@@H]1COCCN1C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001160669453 801995189 /nfs/dbraw/zinc/99/51/89/801995189.db2.gz FISHCMXNMQNNCA-NEPJUHHUSA-N 2 2 266.345 0.163 20 0 CCADLP CC(C)[C@H]1COCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001160669454 801995573 /nfs/dbraw/zinc/99/55/73/801995573.db2.gz FISHCMXNMQNNCA-NWDGAFQWSA-N 2 2 266.345 0.163 20 0 CCADLP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001160692567 802003969 /nfs/dbraw/zinc/00/39/69/802003969.db2.gz CNPQVHKNVBHLBB-MKXJDEKUSA-N 2 2 298.412 0.212 20 0 CCADLP CN(C[C@H]1CC1(C)C)C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001160709274 802008473 /nfs/dbraw/zinc/00/84/73/802008473.db2.gz DYQVYJYFMJDSBD-KOLCDFICSA-N 2 2 250.346 0.784 20 0 CCADLP COC(=O)[C@H](C)N(C)C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001160718648 802010632 /nfs/dbraw/zinc/01/06/32/802010632.db2.gz PFVKJEFLACWNCA-JOYOIKCWSA-N 2 2 279.340 0.279 20 0 CCADLP O=C([C@H]1CC[NH2+]C[C@H]1F)N1CCc2[nH+]ccn2CC1 ZINC001160760440 802016379 /nfs/dbraw/zinc/01/63/79/802016379.db2.gz MDGUBTABFIDEFQ-WDEREUQCSA-N 2 2 266.320 0.215 20 0 CCADLP O=C(NCCC[NH2+]CCCO)c1cc2c[nH+]ccc2[nH]1 ZINC001160992033 802058326 /nfs/dbraw/zinc/05/83/26/802058326.db2.gz PFOIKXWQFHDCKH-UHFFFAOYSA-N 2 2 276.340 0.655 20 0 CCADLP CC(C)OC1CN(C(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)C1 ZINC001161009643 802060278 /nfs/dbraw/zinc/06/02/78/802060278.db2.gz GWTPMTNNIBSWKA-AWEZNQCLSA-N 2 2 277.368 0.895 20 0 CCADLP C[N@@H+]1CCC[C@H]2CN(C(=O)c3cnc(C[NH3+])s3)C[C@@H]21 ZINC001161084972 802086749 /nfs/dbraw/zinc/08/67/49/802086749.db2.gz LNJDSWSEOZJVMM-UWVGGRQHSA-N 2 2 280.397 0.768 20 0 CCADLP C[N@H+]1CCC[C@H]2CN(C(=O)c3cnc(C[NH3+])s3)C[C@@H]21 ZINC001161084972 802086759 /nfs/dbraw/zinc/08/67/59/802086759.db2.gz LNJDSWSEOZJVMM-UWVGGRQHSA-N 2 2 280.397 0.768 20 0 CCADLP Cc1cc(NCCN(CC[NH3+])N(O)N=O)nc(C2CC2)[nH+]1 ZINC001161095980 802090098 /nfs/dbraw/zinc/09/00/98/802090098.db2.gz SMZIJTGTQDQDJP-UHFFFAOYSA-N 2 2 295.347 0.623 20 0 CCADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@](C)([NH3+])CC(C)C ZINC001161238445 802113689 /nfs/dbraw/zinc/11/36/89/802113689.db2.gz UKCVFACDQVLMAC-BXUZGUMPSA-N 2 2 285.388 0.066 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@](C)([NH3+])CC(C)C ZINC001161238445 802113692 /nfs/dbraw/zinc/11/36/92/802113692.db2.gz UKCVFACDQVLMAC-BXUZGUMPSA-N 2 2 285.388 0.066 20 0 CCADLP O=C(NCCC[NH2+]CCF)[C@@H]1CCc2[nH+]ccn2C1 ZINC001161301657 802122017 /nfs/dbraw/zinc/12/20/17/802122017.db2.gz VOIDAYGSWNDOSJ-LLVKDONJSA-N 2 2 268.336 0.511 20 0 CCADLP CO[C@@H]1CCN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001161534207 802171921 /nfs/dbraw/zinc/17/19/21/802171921.db2.gz HYVFAZFRALIDFC-YUSALJHKSA-N 2 2 266.345 0.305 20 0 CCADLP C[C@@H]([NH3+])c1ncc(C(=O)N2CC3(C2)C[NH+](C)C3)s1 ZINC001161532867 802171968 /nfs/dbraw/zinc/17/19/68/802171968.db2.gz YWBSEACKLXVDTJ-MRVPVSSYSA-N 2 2 266.370 0.550 20 0 CCADLP COC(=O)c1ccnc(NCC[NH+]2CCC([NH3+])CC2)n1 ZINC001161867655 802233726 /nfs/dbraw/zinc/23/37/26/802233726.db2.gz USCWUJQUSSGAHM-UHFFFAOYSA-N 2 2 279.344 0.098 20 0 CCADLP Cc1cc(N(CC[NH3+])S(C)(=O)=O)c2[nH+]ccn2c1 ZINC001162128361 802280380 /nfs/dbraw/zinc/28/03/80/802280380.db2.gz BYFJTYYMKFFVOM-UHFFFAOYSA-N 2 2 268.342 0.367 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCCC[NH2+]Cc1csnn1 ZINC001162627907 802379641 /nfs/dbraw/zinc/37/96/41/802379641.db2.gz NAVYXIUFZRUUFH-UHFFFAOYSA-N 2 2 294.384 0.339 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCCC[NH2+]Cc1ncccn1 ZINC001162628576 802380531 /nfs/dbraw/zinc/38/05/31/802380531.db2.gz VUTQXYWFKWUPBU-UHFFFAOYSA-N 2 2 288.355 0.278 20 0 CCADLP CCOC(=O)[C@@H]1CCC[C@H](NC(=[NH2+])N2CC[NH+](C)CC2)C1 ZINC001255344517 808348031 /nfs/dbraw/zinc/34/80/31/808348031.db2.gz OOZWMOJRXAVNMV-OLZOCXBDSA-N 2 2 296.415 0.880 20 0 CCADLP Cc1[nH+]cn(-c2ccc(N[C@@H]3COC[C@@H]3[NH3+])nn2)c1C ZINC001162919934 802437697 /nfs/dbraw/zinc/43/76/97/802437697.db2.gz KXXMTXILIMCVEX-WDEREUQCSA-N 2 2 274.328 0.417 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000251142452 802443041 /nfs/dbraw/zinc/44/30/41/802443041.db2.gz WQHONQCGMVYNOE-JHJVBQTASA-N 2 2 269.389 0.341 20 0 CCADLP c1cn(Cc2ccc(NC[C@@]34C[NH2+][C@@H](CO3)C4)nc2)c[nH+]1 ZINC001163193128 802504234 /nfs/dbraw/zinc/50/42/34/802504234.db2.gz MHCLYPKSBJQLNI-UKRRQHHQSA-N 2 2 285.351 0.869 20 0 CCADLP CCN(C)c1cc(NC[C@@]23C[NH2+][C@@H](CO2)C3)[nH+]cn1 ZINC001163193580 802504714 /nfs/dbraw/zinc/50/47/14/802504714.db2.gz VZONUIPZCJTCBI-ZWNOBZJWSA-N 2 2 263.345 0.476 20 0 CCADLP CCN(C)c1cc(NC[C@@]23C[NH2+][C@@H](CO2)C3)nc[nH+]1 ZINC001163193580 802504719 /nfs/dbraw/zinc/50/47/19/802504719.db2.gz VZONUIPZCJTCBI-ZWNOBZJWSA-N 2 2 263.345 0.476 20 0 CCADLP Cc1cc(C[NH2+]CCCNC(=O)CCn2cc[nH+]c2)on1 ZINC001163589146 802573299 /nfs/dbraw/zinc/57/32/99/802573299.db2.gz VLSPVCDRFVXEAS-UHFFFAOYSA-N 2 2 291.355 0.866 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Nc2c[nH+]cc3cc[nH]c32)C[NH2+]1 ZINC001164308439 802716677 /nfs/dbraw/zinc/71/66/77/802716677.db2.gz KLVPCRKUWZJLSC-UWVGGRQHSA-N 2 2 260.297 0.878 20 0 CCADLP CCN(CC)c1cc(N2CCOCC23C[NH2+]C3)nc[nH+]1 ZINC001165288798 802816091 /nfs/dbraw/zinc/81/60/91/802816091.db2.gz QGMKJUJZILZTMY-UHFFFAOYSA-N 2 2 277.372 0.501 20 0 CCADLP Cc1[nH+]c2c(n1-c1cccc(C(N)=O)n1)CC[NH2+]CC2 ZINC001165354875 802826298 /nfs/dbraw/zinc/82/62/98/802826298.db2.gz KQBOWPREQNEBEZ-UHFFFAOYSA-N 2 2 271.324 0.363 20 0 CCADLP Cc1[nH+]c2c(n1-c1cc3c(nn1)CCOC3)CC[NH2+]CC2 ZINC001165356351 802826349 /nfs/dbraw/zinc/82/63/49/802826349.db2.gz NOVNPLJJTFCKLD-UHFFFAOYSA-N 2 2 285.351 0.732 20 0 CCADLP Cn1c[nH+]cc1N(c1cccc(C[NH3+])c1)S(C)(=O)=O ZINC001166463678 802908194 /nfs/dbraw/zinc/90/81/94/802908194.db2.gz QMLKRKHAZQTFLF-UHFFFAOYSA-N 2 2 280.353 0.977 20 0 CCADLP COC(=O)C1([NH3+])CCN(c2[nH+]cccc2N)CC1 ZINC001166795569 802961557 /nfs/dbraw/zinc/96/15/57/802961557.db2.gz YSTOUJGWVNUADQ-UHFFFAOYSA-N 2 2 250.302 0.135 20 0 CCADLP COC(=O)[C@@H](CCC[NH3+])Nc1ccn2cc(N)[nH+]c2c1 ZINC001167897374 812436800 /nfs/dbraw/zinc/43/68/00/812436800.db2.gz HBMFIUFACDTKER-SNVBAGLBSA-N 2 2 277.328 0.609 20 0 CCADLP [NH3+][C@@H]1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1(F)F ZINC001166958596 802994338 /nfs/dbraw/zinc/99/43/38/802994338.db2.gz GCZGKMFGEXLRDL-SNVBAGLBSA-N 2 2 299.325 0.486 20 0 CCADLP [NH3+][C@@H]1CCN(c2ncc3c(n2)C[NH2+]C3)CC1(F)F ZINC001166959647 802995771 /nfs/dbraw/zinc/99/57/71/802995771.db2.gz BDESDMRCXOAROP-SECBINFHSA-N 2 2 255.272 0.253 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([NH2+]CCCO)CC1 ZINC001203493851 803030534 /nfs/dbraw/zinc/03/05/34/803030534.db2.gz DYEMGFKSTIBHNO-UHFFFAOYSA-N 2 2 280.372 0.224 20 0 CCADLP C[C@@H]1CC[N@H+](Cc2cnc3n2CC[NH2+]C3)CC[C@H]1C[NH3+] ZINC001205651506 803151671 /nfs/dbraw/zinc/15/16/71/803151671.db2.gz FXWGEPVXLACXTO-OLZOCXBDSA-N 3 2 277.416 0.793 20 0 CCADLP C[C@@H]1CC[N@@H+](Cc2cnc3n2CC[NH2+]C3)CC[C@H]1C[NH3+] ZINC001205651506 803151674 /nfs/dbraw/zinc/15/16/74/803151674.db2.gz FXWGEPVXLACXTO-OLZOCXBDSA-N 3 2 277.416 0.793 20 0 CCADLP COc1cncc(OC)c1C[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205689786 803156694 /nfs/dbraw/zinc/15/66/94/803156694.db2.gz SCPYQICWUBJOJT-OAHLLOKOSA-N 2 2 295.383 0.775 20 0 CCADLP COc1cncc(OC)c1C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205689786 803156698 /nfs/dbraw/zinc/15/66/98/803156698.db2.gz SCPYQICWUBJOJT-OAHLLOKOSA-N 2 2 295.383 0.775 20 0 CCADLP C[NH+]1CCN(C2CC[NH+](Cc3cnoc3)CC2)CC1 ZINC001205697120 803157776 /nfs/dbraw/zinc/15/77/76/803157776.db2.gz MTSDVONANJNOKI-UHFFFAOYSA-N 2 2 264.373 0.886 20 0 CCADLP Cc1cc(OC(C)C)ncc1C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206480601 803249718 /nfs/dbraw/zinc/24/97/18/803249718.db2.gz DZTIHWPYVXLHNP-GXTWGEPZSA-N 2 2 279.384 0.929 20 0 CCADLP Cc1cc(OC(C)C)ncc1C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206480601 803249722 /nfs/dbraw/zinc/24/97/22/803249722.db2.gz DZTIHWPYVXLHNP-GXTWGEPZSA-N 2 2 279.384 0.929 20 0 CCADLP C[N@@H+]1CCC[C@@H](C[NH+]2CC3(CN(Cc4cn[nH]c4)C3)C2)C1 ZINC001276496584 803290858 /nfs/dbraw/zinc/29/08/58/803290858.db2.gz GPGUJNLPUPUUTP-CQSZACIVSA-N 2 2 289.427 0.869 20 0 CCADLP C[N@H+]1CCC[C@@H](C[NH+]2CC3(CN(Cc4cn[nH]c4)C3)C2)C1 ZINC001276496584 803290863 /nfs/dbraw/zinc/29/08/63/803290863.db2.gz GPGUJNLPUPUUTP-CQSZACIVSA-N 2 2 289.427 0.869 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CCC(C[NH2+]CCO)CC1 ZINC001206905865 803305780 /nfs/dbraw/zinc/30/57/80/803305780.db2.gz QUPGSDUCOKKBRV-UHFFFAOYSA-N 2 2 294.399 0.173 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(=O)[nH]2)C1 ZINC001207075082 803348147 /nfs/dbraw/zinc/34/81/47/803348147.db2.gz VAVLHTYLHPFNRK-CYBMUJFWSA-N 2 2 292.383 0.429 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(=O)[nH]2)C1 ZINC001207075082 803348151 /nfs/dbraw/zinc/34/81/51/803348151.db2.gz VAVLHTYLHPFNRK-CYBMUJFWSA-N 2 2 292.383 0.429 20 0 CCADLP Cc1nccc(C[NH+]2CCN(CC[NH+](C)C)CC2)n1 ZINC001207162873 803362931 /nfs/dbraw/zinc/36/29/31/803362931.db2.gz DJCMZWZORUCNPN-UHFFFAOYSA-N 2 2 263.389 0.464 20 0 CCADLP COCC[NH2+][C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001207923798 803465998 /nfs/dbraw/zinc/46/59/98/803465998.db2.gz CNWQXLYHXVANHA-LBPRGKRZSA-N 2 2 280.372 0.569 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001207923894 803466367 /nfs/dbraw/zinc/46/63/67/803466367.db2.gz GAXFCTDEIQXALS-STQMWFEESA-N 2 2 294.399 0.958 20 0 CCADLP CCn1ccnc1C[N@@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001276621346 803577061 /nfs/dbraw/zinc/57/70/61/803577061.db2.gz SQJZGFUBGVTYJE-LSDHHAIUSA-N 2 2 291.443 0.971 20 0 CCADLP CCn1ccnc1C[N@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001276621346 803577066 /nfs/dbraw/zinc/57/70/66/803577066.db2.gz SQJZGFUBGVTYJE-LSDHHAIUSA-N 2 2 291.443 0.971 20 0 CCADLP C(C[NH+]1CCOCC1)N1CC[NH+](C2CCOCC2)CC1 ZINC001209291496 803588279 /nfs/dbraw/zinc/58/82/79/803588279.db2.gz DGHAEQQWEVYNLA-UHFFFAOYSA-N 2 2 283.416 0.115 20 0 CCADLP CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2c[nH+]ccc2N)O1 ZINC001209727341 803624350 /nfs/dbraw/zinc/62/43/50/803624350.db2.gz VYDDEAOIMPYBRW-MGPQQGTHSA-N 2 2 290.367 0.314 20 0 CCADLP CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2c[nH+]ccc2N)O1 ZINC001209727341 803624354 /nfs/dbraw/zinc/62/43/54/803624354.db2.gz VYDDEAOIMPYBRW-MGPQQGTHSA-N 2 2 290.367 0.314 20 0 CCADLP Cc1[nH+]cn(-c2cc[nH+]c(N3CC[NH2+]CC3)c2)c1N ZINC001210262767 803643570 /nfs/dbraw/zinc/64/35/70/803643570.db2.gz KWGUWZNLQOSRLN-UHFFFAOYSA-N 3 2 258.329 0.568 20 0 CCADLP Cc1[nH+]cn(-c2ccnc(N3CC[NH2+]CC3)c2)c1N ZINC001210262767 803643573 /nfs/dbraw/zinc/64/35/73/803643573.db2.gz KWGUWZNLQOSRLN-UHFFFAOYSA-N 2 2 258.329 0.568 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001210667554 803656789 /nfs/dbraw/zinc/65/67/89/803656789.db2.gz HAFRVWFZXKGTQT-OLZOCXBDSA-N 2 2 294.399 0.578 20 0 CCADLP CCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@H](OC)C1 ZINC001213802242 803704307 /nfs/dbraw/zinc/70/43/07/803704307.db2.gz ONTKRCUGVYDTDZ-ZIAGYGMSSA-N 2 2 294.399 0.578 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215685403 803823558 /nfs/dbraw/zinc/82/35/58/803823558.db2.gz QIVWXOOXGWACEB-NQBHXWOUSA-N 2 2 280.372 0.424 20 0 CCADLP C[C@H]1C[C@H]1c1nnc(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)o1 ZINC001217697166 803901699 /nfs/dbraw/zinc/90/16/99/803901699.db2.gz WJKQNAKQQSCAQB-SFGNSQDASA-N 2 2 290.327 0.102 20 0 CCADLP C[C@@H]1C[NH+](CCc2nnc([C@@H]3C[C@H](O)C[NH2+]3)o2)C[C@@H](C)O1 ZINC001217719307 803903626 /nfs/dbraw/zinc/90/36/26/803903626.db2.gz ZBQZVJBDGTWLTG-WYUUTHIRSA-N 2 2 296.371 0.117 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Oc2cccc3c2CC[NH2+]C3)C[NH2+]1 ZINC001218174698 803934354 /nfs/dbraw/zinc/93/43/54/803934354.db2.gz LGMUMAGTBLTOEA-AAEUAGOBSA-N 2 2 276.336 0.615 20 0 CCADLP NC(=O)[C@@H]([NH3+])Cc1ccc(O[C@@H]2C[NH2+]CC2(F)F)cc1 ZINC001218241306 803943128 /nfs/dbraw/zinc/94/31/28/803943128.db2.gz XMABSMOXBSUJOE-WDEREUQCSA-N 2 2 285.294 0.028 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccncc2C(F)(F)F)C1 ZINC001218498731 803965842 /nfs/dbraw/zinc/96/58/42/803965842.db2.gz XJMVUOHQTCCMDO-MUWHJKNJSA-N 2 2 274.246 0.150 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)Nc2cccnn2)cc1 ZINC001218509911 803974483 /nfs/dbraw/zinc/97/44/83/803974483.db2.gz PYJXBPKQNYUNNB-NSHDSACASA-N 2 2 257.297 0.687 20 0 CCADLP [NH3+]C1(C(=O)Nc2cc(Cl)nnc2Cl)CC[NH2+]CC1 ZINC001218542253 803996420 /nfs/dbraw/zinc/99/64/20/803996420.db2.gz WHODVMUURZIUEQ-UHFFFAOYSA-N 2 2 290.154 0.803 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)Nc2ccnnc2)cc1 ZINC001218569088 804012887 /nfs/dbraw/zinc/01/28/87/804012887.db2.gz SLKQNOUBOGZMIK-LBPRGKRZSA-N 2 2 257.297 0.687 20 0 CCADLP Cn1nc(C(C)(C)C)cc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218605466 804031590 /nfs/dbraw/zinc/03/15/90/804031590.db2.gz GNMGROVDKHKWBJ-JTQLQIEISA-N 2 2 290.371 0.949 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc(-c2ccccn2)no1 ZINC001218637820 804053456 /nfs/dbraw/zinc/05/34/56/804053456.db2.gz HOTSMSWKYNLNTM-IUCAKERBSA-N 2 2 273.296 0.222 20 0 CCADLP [NH3+]C1(C(=O)Nc2cc(Cl)c[nH]c2=O)CC[NH2+]CC1 ZINC001218642288 804056823 /nfs/dbraw/zinc/05/68/23/804056823.db2.gz RMIGFDWTLPXXPW-UHFFFAOYSA-N 2 2 270.720 0.460 20 0 CCADLP Cc1c[nH]c(=O)cc1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218651256 804061042 /nfs/dbraw/zinc/06/10/42/804061042.db2.gz FTMBNKLXOPWSAZ-UHFFFAOYSA-N 2 2 264.329 0.376 20 0 CCADLP COc1ncc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc1C(F)(F)F ZINC001218690695 804081749 /nfs/dbraw/zinc/08/17/49/804081749.db2.gz CPIIVOWMEZHDBN-QMMMGPOBSA-N 2 2 292.261 0.724 20 0 CCADLP COCn1cc(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)cn1 ZINC001218701167 804088533 /nfs/dbraw/zinc/08/85/33/804088533.db2.gz QSEOOBDIPXNKAK-CYBMUJFWSA-N 2 2 289.339 0.698 20 0 CCADLP Cc1cnn(C2CCOCC2)c1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218742629 804103157 /nfs/dbraw/zinc/10/31/57/804103157.db2.gz YZYAVURPVUVPSI-RYUDHWBXSA-N 2 2 293.371 0.028 20 0 CCADLP Cc1cncnc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001218793113 804122125 /nfs/dbraw/zinc/12/21/25/804122125.db2.gz USPZBJHSWMOZOH-JTQLQIEISA-N 2 2 260.301 0.027 20 0 CCADLP Cc1ccc(CO)cc1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218812388 804131716 /nfs/dbraw/zinc/13/17/16/804131716.db2.gz RDEQDXFTEPJZPW-GFCCVEGCSA-N 2 2 274.324 0.719 20 0 CCADLP Nc1cccc(Cl)c1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218906467 804152526 /nfs/dbraw/zinc/15/25/26/804152526.db2.gz GZBIJYVOQVRVCS-UHFFFAOYSA-N 2 2 268.748 0.942 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc2nccnc21 ZINC001218913551 804154631 /nfs/dbraw/zinc/15/46/31/804154631.db2.gz OKUGLASYUGMUAA-IUCAKERBSA-N 2 2 257.297 0.115 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc2c(c1)CCNC2=O ZINC001218935055 804161256 /nfs/dbraw/zinc/16/12/56/804161256.db2.gz PDUMCSVXHBJUMK-ZDUSSCGKSA-N 2 2 299.334 0.204 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cccc(Cl)c2CO)C1 ZINC001218991393 804177155 /nfs/dbraw/zinc/17/71/55/804177155.db2.gz PXQGYMGAVOLCER-HQJQHLMTSA-N 2 2 269.732 0.460 20 0 CCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)Nc2ccc([C@H]3CC[NH2+]C3)cc2)C1 ZINC001218999432 804180361 /nfs/dbraw/zinc/18/03/61/804180361.db2.gz TVMSFYFENIZFGF-OBJOEFQTSA-N 3 2 274.368 0.391 20 0 CCADLP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)C1(F)C[NH2+]C1 ZINC001219025392 804184162 /nfs/dbraw/zinc/18/41/62/804184162.db2.gz ICBLSUMWSDFTPG-UHFFFAOYSA-N 2 2 265.288 0.419 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccccc1-c1ncc[nH]1 ZINC001219168281 804224616 /nfs/dbraw/zinc/22/46/16/804224616.db2.gz YYQWEFDSVZOHAS-JTQLQIEISA-N 2 2 259.313 0.691 20 0 CCADLP Nc1ccc2c(c1)CCCN2C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001219266438 804252044 /nfs/dbraw/zinc/25/20/44/804252044.db2.gz JOYCNTSQBNQNFL-IOASZLSFSA-N 2 2 286.379 0.770 20 0 CCADLP Nc1cccc2c1N(C(=O)C[NH2+]C1CC[NH2+]CC1)CC2 ZINC001219438992 804312559 /nfs/dbraw/zinc/31/25/59/804312559.db2.gz BNSNSFJULOWQOG-UHFFFAOYSA-N 2 2 274.368 0.500 20 0 CCADLP [NH3+]C1(C(=O)NCc2ccc3c(c2)OCO3)CC[NH2+]CC1 ZINC001219552211 804344583 /nfs/dbraw/zinc/34/45/83/804344583.db2.gz WLJXEAJEGRDCIO-UHFFFAOYSA-N 2 2 277.324 0.112 20 0 CCADLP Cc1cccnc1CCCNC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001219571914 804356644 /nfs/dbraw/zinc/35/66/44/804356644.db2.gz UICURNWKPCKLMG-CYBMUJFWSA-N 2 2 287.367 0.732 20 0 CCADLP CC(C)OC(=O)[C@H](C)NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001219881358 804439431 /nfs/dbraw/zinc/43/94/31/804439431.db2.gz WPCFATHWYTVWPY-GWCFXTLKSA-N 2 2 293.367 0.715 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1Cc2ccccc2O1 ZINC001219923596 804448073 /nfs/dbraw/zinc/44/80/73/804448073.db2.gz SSRVWEAZXNMZFS-QWHCGFSZSA-N 2 2 286.335 0.399 20 0 CCADLP [NH3+]C1(C(=O)NC[C@H]2Cc3ccccc3O2)CC[NH2+]CC1 ZINC001219925842 804450648 /nfs/dbraw/zinc/45/06/48/804450648.db2.gz YGGNWUJXQAYRHJ-GFCCVEGCSA-N 2 2 275.352 0.187 20 0 CCADLP CNc1ccc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)cc1 ZINC001219954052 804458473 /nfs/dbraw/zinc/45/84/73/804458473.db2.gz BDBTUPABUAYJBH-SWLSCSKDSA-N 2 2 274.368 0.296 20 0 CCADLP C[N@@H+]1CCC[C@H](CCNC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001219978169 804462685 /nfs/dbraw/zinc/46/26/85/804462685.db2.gz FPSRPYQHNRWXBM-DGCLKSJQSA-N 3 2 279.388 0.128 20 0 CCADLP C[N@H+]1CCC[C@H](CCNC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001219978169 804462689 /nfs/dbraw/zinc/46/26/89/804462689.db2.gz FPSRPYQHNRWXBM-DGCLKSJQSA-N 3 2 279.388 0.128 20 0 CCADLP C[NH+]1CC(NC(=O)[C@@](C)([NH3+])Cc2ccc(F)cc2)C1 ZINC001220013218 804471270 /nfs/dbraw/zinc/47/12/70/804471270.db2.gz LROVLEURXITXLQ-AWEZNQCLSA-N 2 2 265.332 0.516 20 0 CCADLP CC(C)C[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001220052113 804487130 /nfs/dbraw/zinc/48/71/30/804487130.db2.gz TVVNTJFKJOVQSF-OLZOCXBDSA-N 2 2 294.399 0.170 20 0 CCADLP CC(C)C[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001220052113 804487133 /nfs/dbraw/zinc/48/71/33/804487133.db2.gz TVVNTJFKJOVQSF-OLZOCXBDSA-N 2 2 294.399 0.170 20 0 CCADLP Cn1cc2cccc(CNC(=O)[C@H]([NH3+])Cc3c[nH+]c[nH]3)c2n1 ZINC001220143742 804512619 /nfs/dbraw/zinc/51/26/19/804512619.db2.gz SWXKGKMQFITJTE-CYBMUJFWSA-N 2 2 298.350 0.483 20 0 CCADLP O=C(N[C@H]1CCCc2cccnc21)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220226771 804542721 /nfs/dbraw/zinc/54/27/21/804542721.db2.gz YKSDZUHJEBVRRJ-XDQVBPFNSA-N 2 2 286.379 0.525 20 0 CCADLP Cc1[nH+]c[nH]c1CSCCNC(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001220256959 804554028 /nfs/dbraw/zinc/55/40/28/804554028.db2.gz KAFGAKYZLUHDQK-CYBMUJFWSA-N 2 2 297.428 0.148 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC001220274514 804557965 /nfs/dbraw/zinc/55/79/65/804557965.db2.gz GDOXICQGZAXLGF-ZDUSSCGKSA-N 2 2 266.345 0.145 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC001220274513 804558036 /nfs/dbraw/zinc/55/80/36/804558036.db2.gz GDOXICQGZAXLGF-CYBMUJFWSA-N 2 2 266.345 0.145 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2cc(C(F)(F)F)ccn2)C1 ZINC001220389941 804592404 /nfs/dbraw/zinc/59/24/04/804592404.db2.gz HVURQBRYGAIBGR-SCZZXKLOSA-N 2 2 288.273 0.406 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NCc2cc[nH]c2)cc1 ZINC001220388391 804593425 /nfs/dbraw/zinc/59/34/25/804593425.db2.gz SWALAZJFMRRIGR-ZDUSSCGKSA-N 2 2 258.325 0.903 20 0 CCADLP CC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001220441639 804604195 /nfs/dbraw/zinc/60/41/95/804604195.db2.gz JNRDUGIEKCBDQX-TUAOUCFPSA-N 2 2 266.345 0.015 20 0 CCADLP CC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001220441639 804604201 /nfs/dbraw/zinc/60/42/01/804604201.db2.gz JNRDUGIEKCBDQX-TUAOUCFPSA-N 2 2 266.345 0.015 20 0 CCADLP COC(C)(CNC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)OC ZINC001220509328 804617029 /nfs/dbraw/zinc/61/70/29/804617029.db2.gz UFKRNYVIRHROHG-GFCCVEGCSA-N 2 2 281.356 0.384 20 0 CCADLP C[C@@H]1COCC[C@@H]1NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220566149 804626264 /nfs/dbraw/zinc/62/62/64/804626264.db2.gz ZYWUUOCKQVETIW-HONMWMINSA-N 2 2 277.368 0.800 20 0 CCADLP [NH3+]C1(C(=O)NCC(F)(F)c2ccccn2)CC[NH2+]CC1 ZINC001220571277 804627110 /nfs/dbraw/zinc/62/71/10/804627110.db2.gz NJOSKHHLHLLDOF-UHFFFAOYSA-N 2 2 284.310 0.371 20 0 CCADLP CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220660644 804643782 /nfs/dbraw/zinc/64/37/82/804643782.db2.gz JKGUFPDVDDHJNI-WOPDTQHZSA-N 2 2 294.355 0.128 20 0 CCADLP COc1cc(F)cc(CNC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)c1 ZINC001220666345 804645310 /nfs/dbraw/zinc/64/53/10/804645310.db2.gz VSSIDDHCEPKHCG-CYBMUJFWSA-N 2 2 292.314 0.744 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001220918683 804700750 /nfs/dbraw/zinc/70/07/50/804700750.db2.gz BJLLPFXBBCOUKN-YPMHNXCESA-N 3 2 268.405 0.186 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001220918683 804700757 /nfs/dbraw/zinc/70/07/57/804700757.db2.gz BJLLPFXBBCOUKN-YPMHNXCESA-N 3 2 268.405 0.186 20 0 CCADLP C[C@H]1[C@H]2C[C@@H](C[C@H]1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C2(C)C ZINC001221199279 804745374 /nfs/dbraw/zinc/74/53/74/804745374.db2.gz JUVNEVGAYPONMJ-WTHWOGDNSA-N 2 2 265.401 0.863 20 0 CCADLP CCCC[C@H](NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)C(N)=O ZINC001221235175 804751986 /nfs/dbraw/zinc/75/19/86/804751986.db2.gz VAMTUCUQZBTNGS-OLZOCXBDSA-N 2 2 292.383 0.419 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N[C@H]2CCCNC(=O)C2)cc1 ZINC001221269850 804762430 /nfs/dbraw/zinc/76/24/30/804762430.db2.gz ZIVAVNQBDWFBMN-QWHCGFSZSA-N 2 2 290.367 0.044 20 0 CCADLP Cc1ncsc1CCNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221327744 804776870 /nfs/dbraw/zinc/77/68/70/804776870.db2.gz DFFLBDRZSHWCEY-GXFFZTMASA-N 2 2 280.397 0.062 20 0 CCADLP [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001221331141 804778116 /nfs/dbraw/zinc/77/81/16/804778116.db2.gz CHGADDIDVAYHQF-LSDHHAIUSA-N 3 2 299.378 0.192 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)C2([NH3+])CC[NH2+]CC2)[C@@H](C)C1 ZINC001221405569 804806216 /nfs/dbraw/zinc/80/62/16/804806216.db2.gz BBVZIOIXTQACRT-QWHCGFSZSA-N 3 2 282.432 0.302 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](NC(=O)C2([NH3+])CC[NH2+]CC2)[C@@H](C)C1 ZINC001221405569 804806226 /nfs/dbraw/zinc/80/62/26/804806226.db2.gz BBVZIOIXTQACRT-QWHCGFSZSA-N 3 2 282.432 0.302 20 0 CCADLP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@H+](CCF)C[C@H]21 ZINC001221946829 804853116 /nfs/dbraw/zinc/85/31/16/804853116.db2.gz DQWAMTVNGWJHAZ-CHWSQXEVSA-N 2 2 287.379 0.067 20 0 CCADLP C[NH+](C)CCOCC(=O)N1C[C@H]2CC[N@@H+](CCF)C[C@H]21 ZINC001221946829 804853120 /nfs/dbraw/zinc/85/31/20/804853120.db2.gz DQWAMTVNGWJHAZ-CHWSQXEVSA-N 2 2 287.379 0.067 20 0 CCADLP Cc1nn(C)c(Cl)c1CN1CC[NH2+]C2(CC[NH2+]CC2)C1 ZINC001222091554 804864956 /nfs/dbraw/zinc/86/49/56/804864956.db2.gz XFDQEFDAAWJDRY-UHFFFAOYSA-N 2 2 297.834 0.909 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001222091830 804865207 /nfs/dbraw/zinc/86/52/07/804865207.db2.gz ANEZADPYOVCSKI-CYBMUJFWSA-N 2 2 280.372 0.236 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]([NH2+]CCCF)C1 ZINC001222104367 804870334 /nfs/dbraw/zinc/87/03/34/804870334.db2.gz HZJGZBWKQBQNFO-GFCCVEGCSA-N 2 2 268.336 0.823 20 0 CCADLP CCOc1ccnc(NCC[NH+]2CCC([NH3+])CC2)n1 ZINC000321549446 805064207 /nfs/dbraw/zinc/06/42/07/805064207.db2.gz MGWCMEJOZRLMEN-UHFFFAOYSA-N 2 2 265.361 0.710 20 0 CCADLP C[C@@H](O)C[NH+]1CCC(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001224957779 805095002 /nfs/dbraw/zinc/09/50/02/805095002.db2.gz MYJZFNKRCVEMRD-LLVKDONJSA-N 2 2 280.372 0.161 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCO ZINC001227679988 805377231 /nfs/dbraw/zinc/37/72/31/805377231.db2.gz FHCIHKXRBSLPPI-CHWSQXEVSA-N 2 2 294.399 0.362 20 0 CCADLP C[C@@H](O)C[NH+]1CCC(NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001228407814 805443542 /nfs/dbraw/zinc/44/35/42/805443542.db2.gz GQDLKESBMIYHHJ-GFCCVEGCSA-N 2 2 294.399 0.314 20 0 CCADLP COCCCC[NH+]1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001229363053 805525525 /nfs/dbraw/zinc/52/55/25/805525525.db2.gz HAAQAZUKSJHCCL-UHFFFAOYSA-N 2 2 294.399 0.959 20 0 CCADLP Cc1nonc1C[N@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001277384191 805528723 /nfs/dbraw/zinc/52/87/23/805528723.db2.gz JLQBZGMQFCCMKV-KBPBESRZSA-N 2 2 279.388 0.588 20 0 CCADLP Cc1nonc1C[N@@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001277384191 805528731 /nfs/dbraw/zinc/52/87/31/805528731.db2.gz JLQBZGMQFCCMKV-KBPBESRZSA-N 2 2 279.388 0.588 20 0 CCADLP Cc1cc(N)[nH+]cc1-c1cncc(N2CC[NH2+]CC2)n1 ZINC001242072140 806991379 /nfs/dbraw/zinc/99/13/79/806991379.db2.gz CUYLWWPXCADDEU-UHFFFAOYSA-N 2 2 270.340 0.839 20 0 CCADLP COCC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001278417630 807096862 /nfs/dbraw/zinc/09/68/62/807096862.db2.gz VRESVGFCDDOCNS-JQWIXIFHSA-N 2 2 280.372 0.486 20 0 CCADLP COCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCc2c[nH+]cn2C)C1 ZINC001278417702 807097911 /nfs/dbraw/zinc/09/79/11/807097911.db2.gz WJKQPXVAILRAMU-OLZOCXBDSA-N 2 2 294.399 0.578 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001245978027 807104325 /nfs/dbraw/zinc/10/43/25/807104325.db2.gz YVKHIDUBSHDEOX-MELADBBJSA-N 3 2 257.422 0.667 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H](C[NH2+]C[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC001245987046 807108619 /nfs/dbraw/zinc/10/86/19/807108619.db2.gz AYWYSNJTVMTFMW-PQEBFOHHSA-N 3 2 291.439 0.753 20 0 CCADLP [NH3+]CCC[NH2+]CCC[NH2+]C[C@H](O)COc1cccc(F)c1 ZINC001246010033 807114293 /nfs/dbraw/zinc/11/42/93/807114293.db2.gz LUZCJUNBNWAIKL-AWEZNQCLSA-N 3 2 299.390 0.484 20 0 CCADLP O[C@H](C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC001246027194 807125627 /nfs/dbraw/zinc/12/56/27/807125627.db2.gz PMAUCUUNYOKSDM-CABCVRRESA-N 2 2 279.359 0.496 20 0 CCADLP O[C@H](C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC001246027194 807125628 /nfs/dbraw/zinc/12/56/28/807125628.db2.gz PMAUCUUNYOKSDM-CABCVRRESA-N 2 2 279.359 0.496 20 0 CCADLP CC1(C[NH3+])C[NH+](C[C@@H](O)COCc2ccco2)C1 ZINC001246031009 807126597 /nfs/dbraw/zinc/12/65/97/807126597.db2.gz GVWCYFNRMYFDTC-LLVKDONJSA-N 2 2 254.330 0.438 20 0 CCADLP COc1cccc([C@H](O)C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1 ZINC001246030771 807127395 /nfs/dbraw/zinc/12/73/95/807127395.db2.gz YWSFDBQMAHVHKJ-CVEARBPZSA-N 2 2 291.395 0.366 20 0 CCADLP COc1cccc([C@H](O)C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1 ZINC001246030771 807127397 /nfs/dbraw/zinc/12/73/97/807127397.db2.gz YWSFDBQMAHVHKJ-CVEARBPZSA-N 2 2 291.395 0.366 20 0 CCADLP CCOC(=O)N1CCC([NH2+][C@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246087771 807147954 /nfs/dbraw/zinc/14/79/54/807147954.db2.gz PTEXAEIMYDIOKE-RYUDHWBXSA-N 2 2 273.352 0.897 20 0 CCADLP CCOC(=O)N1CC[C@H]([NH2+][C@H]2CCCC[NH2+]C2)C1 ZINC001246092074 807151458 /nfs/dbraw/zinc/15/14/58/807151458.db2.gz RUFVEFJUMLZOFW-RYUDHWBXSA-N 2 2 255.362 0.949 20 0 CCADLP O[C@@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCC[NH2+]C1 ZINC001246110112 807155829 /nfs/dbraw/zinc/15/58/29/807155829.db2.gz LTKJDLMNFLYFEP-PIGZVRMJSA-N 3 2 253.390 0.364 20 0 CCADLP CS(=O)(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC001246120106 807160356 /nfs/dbraw/zinc/16/03/56/807160356.db2.gz LDZSGHNRJBGTJE-QYJAPNMZSA-N 2 2 295.408 0.858 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[NH2+]CC23CC3)CO1 ZINC001246128766 807160711 /nfs/dbraw/zinc/16/07/11/807160711.db2.gz FFXWRTZAIVDZLM-SRVKXCTJSA-N 2 2 268.357 0.439 20 0 CCADLP CCN1CC[C@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1=O ZINC001246151266 807168703 /nfs/dbraw/zinc/16/87/03/807168703.db2.gz XHHZZBKIQCOMDD-KBPBESRZSA-N 3 2 294.443 0.461 20 0 CCADLP O=C(c1ccco1)N1C[C@@H]2C[C@]2([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC001246156733 807171157 /nfs/dbraw/zinc/17/11/57/807171157.db2.gz LGDYISOGVBITKI-HUBLWGQQSA-N 2 2 275.352 0.836 20 0 CCADLP [NH3+]C[C@@H](Cc1ccccc1)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246263255 807201330 /nfs/dbraw/zinc/20/13/30/807201330.db2.gz CPSKIDZSCYHRLZ-LSDHHAIUSA-N 3 2 274.412 0.240 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CCC(=O)OC(C)(C)C)C(N)=O)CC[NH2+]1 ZINC001246268393 807202646 /nfs/dbraw/zinc/20/26/46/807202646.db2.gz PKSYQVKTBIHHSM-WOPDTQHZSA-N 2 2 299.415 0.692 20 0 CCADLP O=C1CC[NH2+]C[C@H]1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001246293907 807210237 /nfs/dbraw/zinc/21/02/37/807210237.db2.gz PVXLNPKGTNBVDM-LSDHHAIUSA-N 2 2 273.380 0.782 20 0 CCADLP O=C1CC[NH2+]C[C@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001246293907 807210242 /nfs/dbraw/zinc/21/02/42/807210242.db2.gz PVXLNPKGTNBVDM-LSDHHAIUSA-N 2 2 273.380 0.782 20 0 CCADLP CCOC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2C[NH2+]C[C@@H]2CO)C1 ZINC001246296647 807211917 /nfs/dbraw/zinc/21/19/17/807211917.db2.gz BOUJYQBYXOTWOY-NDBYEHHHSA-N 2 2 270.373 0.278 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001246296893 807211977 /nfs/dbraw/zinc/21/19/77/807211977.db2.gz CTRCVTHDEIBUSA-WFASDCNBSA-N 3 2 276.384 0.220 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001246296826 807212717 /nfs/dbraw/zinc/21/27/17/807212717.db2.gz CTRCVTHDEIBUSA-SWLSCSKDSA-N 3 2 276.384 0.220 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](NC[C@@H]([NH3+])Cc2ccccc2)C[NH2+]1 ZINC001246298780 807212771 /nfs/dbraw/zinc/21/27/71/807212771.db2.gz FSAQAQDSIUMHSJ-MJBXVCDLSA-N 2 2 277.368 0.050 20 0 CCADLP [NH3+][C@H](C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)Cc1ccccc1 ZINC001246301499 807213544 /nfs/dbraw/zinc/21/35/44/807213544.db2.gz YHUPWYLNZHYCHV-GJZGRUSLSA-N 3 2 274.412 0.240 20 0 CCADLP COc1ccccc1C[C@H](C)[NH2+][C@H]1C[NH2+]C[C@@H]1CO ZINC001246304084 807216220 /nfs/dbraw/zinc/21/62/20/807216220.db2.gz GTQQNKDJVYWMLT-YUTCNCBUSA-N 2 2 264.369 0.796 20 0 CCADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H]1C[NH2+]C[C@@H]1CO ZINC001246308997 807217279 /nfs/dbraw/zinc/21/72/79/807217279.db2.gz QMWGTIRUSWJTTH-MGPQQGTHSA-N 2 2 292.379 0.906 20 0 CCADLP CCOC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2C[NH2+]CCC2(C)C)CCN1 ZINC001246334014 807225134 /nfs/dbraw/zinc/22/51/34/807225134.db2.gz WQPOQHJFXIHNCW-AVGNSLFASA-N 2 2 283.416 0.648 20 0 CCADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246332798 807225551 /nfs/dbraw/zinc/22/55/51/807225551.db2.gz JBNORFHMLBMKNX-NQBHXWOUSA-N 2 2 280.372 0.234 20 0 CCADLP COc1ccc(C[NH2+]C2CC[NH2+]CC2)nc1OC ZINC001246373396 807238071 /nfs/dbraw/zinc/23/80/71/807238071.db2.gz QSYRNBLYTMRHDQ-UHFFFAOYSA-N 2 2 251.330 0.940 20 0 CCADLP COC(=O)[C@H](CCC[NH3+])[NH2+][C@@H](C)CCC(=O)OC(C)C ZINC001246416827 807248714 /nfs/dbraw/zinc/24/87/14/807248714.db2.gz MOSGAMNCIOFROZ-RYUDHWBXSA-N 2 2 288.388 0.977 20 0 CCADLP O=C(NCC[NH2+][C@H]1CCC[NH2+]C1)c1cccs1 ZINC001246475076 807260562 /nfs/dbraw/zinc/26/05/62/807260562.db2.gz OCKLGODMNOIITI-JTQLQIEISA-N 2 2 253.371 0.820 20 0 CCADLP [NH3+]C[C@H]1Cc2ccccc2C[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246487022 807263884 /nfs/dbraw/zinc/26/38/84/807263884.db2.gz YXFJYJQIPYGRNZ-HZPDHXFCSA-N 3 2 286.423 0.466 20 0 CCADLP [NH3+]C[C@H]1Cc2ccccc2C[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246487022 807263888 /nfs/dbraw/zinc/26/38/88/807263888.db2.gz YXFJYJQIPYGRNZ-HZPDHXFCSA-N 3 2 286.423 0.466 20 0 CCADLP c1cn2cc(C[NH2+][C@H]3CCNC4(C[NH2+]C4)C3)ccc2[nH+]1 ZINC001246493451 807265042 /nfs/dbraw/zinc/26/50/42/807265042.db2.gz GWVZWWGGDAXPAE-ZDUSSCGKSA-N 3 2 271.368 0.518 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H]2C)CCN1 ZINC001246549638 807282037 /nfs/dbraw/zinc/28/20/37/807282037.db2.gz LRWYRPFKAKDXFX-KKOKHZNYSA-N 2 2 255.362 0.092 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@@H]([NH3+])[C@H]2C)CCN1 ZINC001246549638 807282040 /nfs/dbraw/zinc/28/20/40/807282040.db2.gz LRWYRPFKAKDXFX-KKOKHZNYSA-N 2 2 255.362 0.092 20 0 CCADLP COc1cccc2c1C[C@@H]([N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1)CO2 ZINC001246566469 807291820 /nfs/dbraw/zinc/29/18/20/807291820.db2.gz IXMOYWIFOKKBNS-RAIGVLPGSA-N 2 2 278.352 0.393 20 0 CCADLP COc1cccc2c1C[C@@H]([N@H+]1CC[C@@H]([NH3+])[C@H](O)C1)CO2 ZINC001246566469 807291822 /nfs/dbraw/zinc/29/18/22/807291822.db2.gz IXMOYWIFOKKBNS-RAIGVLPGSA-N 2 2 278.352 0.393 20 0 CCADLP CC(C)[C@@H]1C[C@@H]([N@@H+]2CCCC[C@](O)(C[NH3+])C2)CC[NH2+]1 ZINC001246565902 807292752 /nfs/dbraw/zinc/29/27/52/807292752.db2.gz ZWQJLCPPHWSJPT-KKUMJFAQSA-N 3 2 269.433 0.939 20 0 CCADLP CC(C)[C@@H]1C[C@@H]([N@H+]2CCCC[C@](O)(C[NH3+])C2)CC[NH2+]1 ZINC001246565902 807292758 /nfs/dbraw/zinc/29/27/58/807292758.db2.gz ZWQJLCPPHWSJPT-KKUMJFAQSA-N 3 2 269.433 0.939 20 0 CCADLP CCCC[C@H]1C[C@H]([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246582374 807302677 /nfs/dbraw/zinc/30/26/77/807302677.db2.gz XCQZESRYACZONF-IGQOVBAYSA-N 3 2 255.406 0.549 20 0 CCADLP CCCC[C@H]1C[C@H]([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246582374 807302684 /nfs/dbraw/zinc/30/26/84/807302684.db2.gz XCQZESRYACZONF-IGQOVBAYSA-N 3 2 255.406 0.549 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CC(C)(C[NH3+])C2)CO1 ZINC001246599644 807316044 /nfs/dbraw/zinc/31/60/44/807316044.db2.gz PSOYZYYRPCRLDK-MNOVXSKESA-N 2 2 256.346 0.378 20 0 CCADLP C1C[N@@H+]([C@@H]2CC3CC[NH+](CC3)C2)CC2(CC[NH2+]CC2)N1 ZINC001246605211 807319558 /nfs/dbraw/zinc/31/95/58/807319558.db2.gz PPAQAGFSQTWCDZ-OAHLLOKOSA-N 3 2 278.444 0.498 20 0 CCADLP C1C[N@H+]([C@@H]2CC3CC[NH+](CC3)C2)CC2(CC[NH2+]CC2)N1 ZINC001246605211 807319566 /nfs/dbraw/zinc/31/95/66/807319566.db2.gz PPAQAGFSQTWCDZ-OAHLLOKOSA-N 3 2 278.444 0.498 20 0 CCADLP COC(=O)[C@H]1CCC[C@@H](N2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)C1 ZINC001246619730 807328292 /nfs/dbraw/zinc/32/82/92/807328292.db2.gz UFDOEZRSQGZZBT-XGUBFFRZSA-N 2 2 295.427 0.744 20 0 CCADLP Cc1[nH+]c2c(n1[C@H]1CCNC3(C[NH2+]C3)C1)CC[NH2+]CC2 ZINC001246660641 807349712 /nfs/dbraw/zinc/34/97/12/807349712.db2.gz FEBDYARACBGYSX-LBPRGKRZSA-N 3 2 275.400 0.146 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N2CCCC[C@H]2C[NH+]2CCCC2)C[NH2+]1 ZINC001246784669 807376039 /nfs/dbraw/zinc/37/60/39/807376039.db2.gz HQQZWHPVCBSBRB-ZNMIVQPWSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@H]1CC[C@H](N2CC[NH+](CC(=O)N3CCCC3)CC2)C[NH2+]1 ZINC001246790315 807380251 /nfs/dbraw/zinc/38/02/51/807380251.db2.gz NMQPPDDSMFUDEP-GJZGRUSLSA-N 2 2 294.443 0.367 20 0 CCADLP COC(=O)[C@@H]1CC[C@H](n2cc[nH+]c2[C@H]2CCC[NH2+]C2)CN1 ZINC001246850746 807406355 /nfs/dbraw/zinc/40/63/55/807406355.db2.gz WTLRSDOMVGTIOU-AVGNSLFASA-N 2 2 292.383 0.816 20 0 CCADLP COC(=O)C1C[C@@H]2CC([N@@H+]3C[C@H]4CC[C@]4([NH3+])C3)C[C@H](C1)[NH2+]2 ZINC001246865153 807413666 /nfs/dbraw/zinc/41/36/66/807413666.db2.gz YCTBJQFBURJCIY-MBIGDULZSA-N 3 2 293.411 0.482 20 0 CCADLP COC(=O)C1C[C@@H]2CC([N@H+]3C[C@H]4CC[C@]4([NH3+])C3)C[C@H](C1)[NH2+]2 ZINC001246865153 807413671 /nfs/dbraw/zinc/41/36/71/807413671.db2.gz YCTBJQFBURJCIY-MBIGDULZSA-N 3 2 293.411 0.482 20 0 CCADLP CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2C[NH3+])CO1 ZINC001246917676 807428481 /nfs/dbraw/zinc/42/84/81/807428481.db2.gz SCDDWWGSIJNQGK-IJLUTSLNSA-N 2 2 256.346 0.520 20 0 CCADLP CCOC(=O)[C@H]1CC[C@@H]([N@H+]2CCC[C@@H]2C[NH3+])CO1 ZINC001246917676 807428486 /nfs/dbraw/zinc/42/84/86/807428486.db2.gz SCDDWWGSIJNQGK-IJLUTSLNSA-N 2 2 256.346 0.520 20 0 CCADLP O=S1(=O)CC[C@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC001168357942 815125829 /nfs/dbraw/zinc/12/58/29/815125829.db2.gz NAZZBYDGLIHCBU-CYBMUJFWSA-N 2 2 286.441 0.885 20 0 CCADLP COc1cc(F)c(F)cc1-c1noc(C[C@@H]([NH3+])C[NH3+])n1 ZINC001249129759 807544524 /nfs/dbraw/zinc/54/45/24/807544524.db2.gz SHYMGVZYDHTBIB-ZCFIWIBFSA-N 2 2 284.266 0.852 20 0 CCADLP COc1cccc([C@H](O)C[NH2+]C2(CO)CC[NH+](C)CC2)c1 ZINC001250743419 807611413 /nfs/dbraw/zinc/61/14/13/807611413.db2.gz YUWKDXJLWIAPMG-OAHLLOKOSA-N 2 2 294.395 0.775 20 0 CCADLP CN(C(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1C[NH+](CCCF)C1 ZINC001042756922 815134526 /nfs/dbraw/zinc/13/45/26/815134526.db2.gz WGJNCSBFUAPZSH-JSGCOSHPSA-N 2 2 299.390 0.352 20 0 CCADLP CN(C(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1C[NH+](CCCF)C1 ZINC001042756922 815134528 /nfs/dbraw/zinc/13/45/28/815134528.db2.gz WGJNCSBFUAPZSH-JSGCOSHPSA-N 2 2 299.390 0.352 20 0 CCADLP CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC001075976319 815135257 /nfs/dbraw/zinc/13/52/57/815135257.db2.gz WBUZDFLNXLDCPS-SMDDNHRTSA-N 2 2 292.383 0.902 20 0 CCADLP CC[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC001075976319 815135261 /nfs/dbraw/zinc/13/52/61/815135261.db2.gz WBUZDFLNXLDCPS-SMDDNHRTSA-N 2 2 292.383 0.902 20 0 CCADLP [NH2+]=C(NC[C@H](O)C[NH+]1CCOCC1)c1cccnc1Cl ZINC001251041078 807653637 /nfs/dbraw/zinc/65/36/37/807653637.db2.gz DBGLCVCWXOVAEG-JTQLQIEISA-N 2 2 298.774 0.343 20 0 CCADLP C[NH+]1CCC(CO)([NH2+]C[C@H](O)COCc2ccco2)CC1 ZINC001252665302 807932907 /nfs/dbraw/zinc/93/29/07/807932907.db2.gz PRUXPCMYUZWWEG-ZDUSSCGKSA-N 2 2 298.383 0.203 20 0 CCADLP COC[C@@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001252815685 807966170 /nfs/dbraw/zinc/96/61/70/807966170.db2.gz USHDXXOGMLDPTL-XHSDSOJGSA-N 2 2 291.395 0.453 20 0 CCADLP COC[C@@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001252815685 807966176 /nfs/dbraw/zinc/96/61/76/807966176.db2.gz USHDXXOGMLDPTL-XHSDSOJGSA-N 2 2 291.395 0.453 20 0 CCADLP COC[C@@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001252815685 807966183 /nfs/dbraw/zinc/96/61/83/807966183.db2.gz USHDXXOGMLDPTL-XHSDSOJGSA-N 2 2 291.395 0.453 20 0 CCADLP COC[C@@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001252815685 807966187 /nfs/dbraw/zinc/96/61/87/807966187.db2.gz USHDXXOGMLDPTL-XHSDSOJGSA-N 2 2 291.395 0.453 20 0 CCADLP NOCC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252943860 807988461 /nfs/dbraw/zinc/98/84/61/807988461.db2.gz RMUKYMOOXZIIAI-AWEZNQCLSA-N 2 2 265.357 0.103 20 0 CCADLP NOCC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252943860 807988464 /nfs/dbraw/zinc/98/84/64/807988464.db2.gz RMUKYMOOXZIIAI-AWEZNQCLSA-N 2 2 265.357 0.103 20 0 CCADLP CC(=O)OCC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252952308 807988542 /nfs/dbraw/zinc/98/85/42/807988542.db2.gz ZZMHGZXPYWAAGN-INIZCTEOSA-N 2 2 292.379 0.776 20 0 CCADLP CC(=O)OCC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252952308 807988546 /nfs/dbraw/zinc/98/85/46/807988546.db2.gz ZZMHGZXPYWAAGN-INIZCTEOSA-N 2 2 292.379 0.776 20 0 CCADLP Cc1[nH]c2c([nH+]1)CC[NH+](CC1(O)CCOCC1)CC2 ZINC001252957836 807989860 /nfs/dbraw/zinc/98/98/60/807989860.db2.gz GDYPVKHCVCAWTO-UHFFFAOYSA-N 2 2 265.357 0.660 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+][C@H](C(=O)NC)C(C)(C)C ZINC001253209231 808032654 /nfs/dbraw/zinc/03/26/54/808032654.db2.gz CHRPCHIIHWNGFD-VXGBXAGGSA-N 2 2 273.421 0.439 20 0 CCADLP CCOC(=O)CC1([NH2+]C[C@@H](O)C[NH+](CC)CC)CC1 ZINC001253217308 808037514 /nfs/dbraw/zinc/03/75/14/808037514.db2.gz WWNJAQCKPOUGQH-GFCCVEGCSA-N 2 2 272.389 0.765 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH+]1CCC2(CNC(=O)O2)CC1 ZINC001253395004 808055495 /nfs/dbraw/zinc/05/54/95/808055495.db2.gz XBHRPATYIMNIRD-LLVKDONJSA-N 2 2 285.388 0.310 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccc(=O)[nH]c2CC1 ZINC001253394378 808055516 /nfs/dbraw/zinc/05/55/16/808055516.db2.gz KCZXHSVDRVHMPD-CYBMUJFWSA-N 2 2 293.411 0.937 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccc(=O)[nH]c2CC1 ZINC001253394378 808055526 /nfs/dbraw/zinc/05/55/26/808055526.db2.gz KCZXHSVDRVHMPD-CYBMUJFWSA-N 2 2 293.411 0.937 20 0 CCADLP C[N@@H+]1CCC[C@@H]([NH+]2Cc3ccnn3CC[C@H]2CO)CC1 ZINC001254531783 808255823 /nfs/dbraw/zinc/25/58/23/808255823.db2.gz LWYUUXMUMZWRAL-HIFRSBDPSA-N 2 2 278.400 0.934 20 0 CCADLP C[N@H+]1CCC[C@@H]([NH+]2Cc3ccnn3CC[C@H]2CO)CC1 ZINC001254531783 808255825 /nfs/dbraw/zinc/25/58/25/808255825.db2.gz LWYUUXMUMZWRAL-HIFRSBDPSA-N 2 2 278.400 0.934 20 0 CCADLP C[NH+]1CCC[C@@H]([N@@H+]2Cc3ccnn3CC[C@H]2CO)CC1 ZINC001254531783 808255829 /nfs/dbraw/zinc/25/58/29/808255829.db2.gz LWYUUXMUMZWRAL-HIFRSBDPSA-N 2 2 278.400 0.934 20 0 CCADLP C[NH+]1CCC[C@@H]([N@H+]2Cc3ccnn3CC[C@H]2CO)CC1 ZINC001254531783 808255834 /nfs/dbraw/zinc/25/58/34/808255834.db2.gz LWYUUXMUMZWRAL-HIFRSBDPSA-N 2 2 278.400 0.934 20 0 CCADLP O=C1C[C@H](C[NH2+][C@@H]2CC3CC[NH+](CC3)C2)CCN1 ZINC001254833084 808282723 /nfs/dbraw/zinc/28/27/23/808282723.db2.gz MPGFZESZYNMVMA-CHWSQXEVSA-N 2 2 251.374 0.587 20 0 CCADLP C[C@H]1COCCN1CC[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254845490 808285848 /nfs/dbraw/zinc/28/58/48/808285848.db2.gz OEFAKUCKAFJAAL-DZGCQCFKSA-N 2 2 267.417 0.781 20 0 CCADLP CC[NH+](CC)CC[C@@H](C)[NH2+]CCS(C)(=O)=O ZINC001255939044 808440204 /nfs/dbraw/zinc/44/02/04/808440204.db2.gz AFZAHZGJOVEUNZ-LLVKDONJSA-N 2 2 250.408 0.741 20 0 CCADLP CCOC(=O)N1CC[C@H](n2cc[nH+]c2CC[NH3+])C1 ZINC001256014074 808448290 /nfs/dbraw/zinc/44/82/90/808448290.db2.gz JPPRPULXZHABEJ-JTQLQIEISA-N 2 2 252.318 0.788 20 0 CCADLP COC(=O)[C@H]([NH3+])Cc1cn(C2CC[NH+](C3CC3)CC2)cn1 ZINC001256074464 808466844 /nfs/dbraw/zinc/46/68/44/808466844.db2.gz ZVHHLQQJTQXVLB-CQSZACIVSA-N 2 2 292.383 0.725 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1C1CC[NH+](C2CC2)CC1 ZINC001256069171 808467498 /nfs/dbraw/zinc/46/74/98/808467498.db2.gz UEWPWSQPIAHVEJ-LLVKDONJSA-N 3 2 264.373 0.545 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C2CC[NH+](C3CC3)CC2)CCCO1 ZINC001256081737 808469769 /nfs/dbraw/zinc/46/97/69/808469769.db2.gz LTEKBQOGXNBRQK-AWEZNQCLSA-N 2 2 282.384 0.877 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C2CC[NH+](C3CC3)CC2)CCCO1 ZINC001256081737 808469771 /nfs/dbraw/zinc/46/97/71/808469771.db2.gz LTEKBQOGXNBRQK-AWEZNQCLSA-N 2 2 282.384 0.877 20 0 CCADLP OC[C@@H]1C[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C[C@H]1O ZINC001256604577 808539574 /nfs/dbraw/zinc/53/95/74/808539574.db2.gz SVANMFUHVUBNDW-DOTOQJQBSA-N 2 2 290.407 0.936 20 0 CCADLP OC[C@@H]1C[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C[C@H]1O ZINC001256604577 808539577 /nfs/dbraw/zinc/53/95/77/808539577.db2.gz SVANMFUHVUBNDW-DOTOQJQBSA-N 2 2 290.407 0.936 20 0 CCADLP COC[C@@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)CCO1 ZINC001256629577 808544097 /nfs/dbraw/zinc/54/40/97/808544097.db2.gz LVGINDJLGQMJCF-PIGZVRMJSA-N 2 2 254.374 0.959 20 0 CCADLP COC[C@@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)CCO1 ZINC001256629577 808544099 /nfs/dbraw/zinc/54/40/99/808544099.db2.gz LVGINDJLGQMJCF-PIGZVRMJSA-N 2 2 254.374 0.959 20 0 CCADLP COC[C@@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCO1 ZINC001256629577 808544102 /nfs/dbraw/zinc/54/41/02/808544102.db2.gz LVGINDJLGQMJCF-PIGZVRMJSA-N 2 2 254.374 0.959 20 0 CCADLP COC[C@@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC001256629577 808544106 /nfs/dbraw/zinc/54/41/06/808544106.db2.gz LVGINDJLGQMJCF-PIGZVRMJSA-N 2 2 254.374 0.959 20 0 CCADLP CCCC[N@H+](C)CC[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC001257225554 808600113 /nfs/dbraw/zinc/60/01/13/808600113.db2.gz QIZXLVQGMZHJSF-UHFFFAOYSA-N 2 2 291.461 0.732 20 0 CCADLP CCCC[N@@H+](C)CC[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC001257225554 808600116 /nfs/dbraw/zinc/60/01/16/808600116.db2.gz QIZXLVQGMZHJSF-UHFFFAOYSA-N 2 2 291.461 0.732 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]([NH3+])C2)C[C@H]1C(=O)OC ZINC001257722630 808630578 /nfs/dbraw/zinc/63/05/78/808630578.db2.gz OLUOVDUOEOUUFN-FDYHWXHSSA-N 2 2 298.383 0.540 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H]([NH3+])C2)C[C@H]1C(=O)OC ZINC001257722630 808630581 /nfs/dbraw/zinc/63/05/81/808630581.db2.gz OLUOVDUOEOUUFN-FDYHWXHSSA-N 2 2 298.383 0.540 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+](CCn2cncn2)CC1 ZINC001258298198 808670387 /nfs/dbraw/zinc/67/03/87/808670387.db2.gz XXTJYKVBMBPYTR-UHFFFAOYSA-N 2 2 267.377 0.057 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+](CCn2cncn2)CC1 ZINC001258298198 808670391 /nfs/dbraw/zinc/67/03/91/808670391.db2.gz XXTJYKVBMBPYTR-UHFFFAOYSA-N 2 2 267.377 0.057 20 0 CCADLP COc1c(C)c[nH+]c(CNC(=O)C2(C)C[NH2+]C2)c1C ZINC001261456707 808982648 /nfs/dbraw/zinc/98/26/48/808982648.db2.gz IXXOPWAGROSPPQ-UHFFFAOYSA-N 2 2 263.341 0.933 20 0 CCADLP [NH3+]C1(CNC(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC001262578059 809352951 /nfs/dbraw/zinc/35/29/51/809352951.db2.gz GZHKFVPHOJNEMW-UHFFFAOYSA-N 2 2 259.313 0.625 20 0 CCADLP COCC[NH+]1CCN(C(=O)C23CCC(CC2)[NH2+]3)CC1 ZINC001263094032 809440756 /nfs/dbraw/zinc/44/07/56/809440756.db2.gz TWSRJBZERIVAKR-UHFFFAOYSA-N 2 2 267.373 0.062 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cn2cc(C[NH3+])ccc2n1 ZINC001263096080 809441499 /nfs/dbraw/zinc/44/14/99/809441499.db2.gz GOHXQJDHMACFFS-NSHDSACASA-N 2 2 298.350 0.808 20 0 CCADLP C[NH2+]CCCCC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC001263097897 809441830 /nfs/dbraw/zinc/44/18/30/809441830.db2.gz MCOALYRUZLMYML-GFCCVEGCSA-N 2 2 257.378 0.213 20 0 CCADLP C[NH2+]CCCCC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC001263097897 809441836 /nfs/dbraw/zinc/44/18/36/809441836.db2.gz MCOALYRUZLMYML-GFCCVEGCSA-N 2 2 257.378 0.213 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001263996126 809618879 /nfs/dbraw/zinc/61/88/79/809618879.db2.gz TVVDYXMYWWOQFT-IJLUTSLNSA-N 2 2 262.357 0.717 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001263996126 809618886 /nfs/dbraw/zinc/61/88/86/809618886.db2.gz TVVDYXMYWWOQFT-IJLUTSLNSA-N 2 2 262.357 0.717 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001076517763 815306200 /nfs/dbraw/zinc/30/62/00/815306200.db2.gz WAZJVOBHTGBZFT-GXTWGEPZSA-N 2 2 294.374 0.855 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC001076517763 815306208 /nfs/dbraw/zinc/30/62/08/815306208.db2.gz WAZJVOBHTGBZFT-GXTWGEPZSA-N 2 2 294.374 0.855 20 0 CCADLP Cc1nnc(C[N@H+](C)CCCNC(=O)C[NH+]2CCCC2)[nH]1 ZINC001265068732 809703976 /nfs/dbraw/zinc/70/39/76/809703976.db2.gz RTTDKEBLXBULLD-UHFFFAOYSA-N 2 2 294.403 0.147 20 0 CCADLP Cc1nnc(C[N@@H+](C)CCCNC(=O)C[NH+]2CCCC2)[nH]1 ZINC001265068732 809703981 /nfs/dbraw/zinc/70/39/81/809703981.db2.gz RTTDKEBLXBULLD-UHFFFAOYSA-N 2 2 294.403 0.147 20 0 CCADLP C[N@H+](CCCNC(=O)Cn1cc[nH+]c1)Cc1ccns1 ZINC001265075637 809704949 /nfs/dbraw/zinc/70/49/49/809704949.db2.gz CISHAJLFOJNCTM-UHFFFAOYSA-N 2 2 293.396 0.978 20 0 CCADLP C[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)Cc1ccns1 ZINC001265075637 809704952 /nfs/dbraw/zinc/70/49/52/809704952.db2.gz CISHAJLFOJNCTM-UHFFFAOYSA-N 2 2 293.396 0.978 20 0 CCADLP CC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3c[nH+]cn3C)[C@H]2C1 ZINC001083262482 811186800 /nfs/dbraw/zinc/18/68/00/811186800.db2.gz XFUHKRXOHKMLNJ-UONOGXRCSA-N 2 2 292.383 0.284 20 0 CCADLP CC[N@H+]1C[C@H]2OCCN(C(=O)CCc3c[nH+]cn3C)[C@H]2C1 ZINC001083262482 811186804 /nfs/dbraw/zinc/18/68/04/811186804.db2.gz XFUHKRXOHKMLNJ-UONOGXRCSA-N 2 2 292.383 0.284 20 0 CCADLP CCC[NH2+]CCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001267392906 811282636 /nfs/dbraw/zinc/28/26/36/811282636.db2.gz LQVUTGVBLHAWMF-LBPRGKRZSA-N 2 2 264.373 0.904 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2CC[N@@H+](CCO)[C@@H]2C1 ZINC001042176436 811350249 /nfs/dbraw/zinc/35/02/49/811350249.db2.gz NQHVVUWSPQGLFI-ZIAGYGMSSA-N 2 2 292.383 0.188 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2CC[N@H+](CCO)[C@@H]2C1 ZINC001042176436 811350259 /nfs/dbraw/zinc/35/02/59/811350259.db2.gz NQHVVUWSPQGLFI-ZIAGYGMSSA-N 2 2 292.383 0.188 20 0 CCADLP CC[C@H](F)C[NH2+]CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001267479240 811362559 /nfs/dbraw/zinc/36/25/59/811362559.db2.gz RHEMWRGCRFHRFC-NSHDSACASA-N 2 2 256.325 0.679 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2O)c[nH+]1 ZINC001083563460 815446100 /nfs/dbraw/zinc/44/61/00/815446100.db2.gz QSOHCXDVJMBVEY-OLZOCXBDSA-N 2 2 294.399 0.496 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2O)c[nH+]1 ZINC001083563460 815446103 /nfs/dbraw/zinc/44/61/03/815446103.db2.gz QSOHCXDVJMBVEY-OLZOCXBDSA-N 2 2 294.399 0.496 20 0 CCADLP N=c1scc(N)n1C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001218543000 811580216 /nfs/dbraw/zinc/58/02/16/811580216.db2.gz YJPFPQQRSGZCBU-SECBINFHSA-N 2 2 277.353 0.258 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CC[N@@H+](CCF)[C@H]2C1 ZINC001042247411 811613278 /nfs/dbraw/zinc/61/32/78/811613278.db2.gz NYTYMTXJKNMYIU-YPMHNXCESA-N 2 2 280.347 0.845 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CC[N@H+](CCF)[C@H]2C1 ZINC001042247411 811613281 /nfs/dbraw/zinc/61/32/81/811613281.db2.gz NYTYMTXJKNMYIU-YPMHNXCESA-N 2 2 280.347 0.845 20 0 CCADLP C[N@H+](CCF)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001267709277 811670493 /nfs/dbraw/zinc/67/04/93/811670493.db2.gz VNOSIXYRLYDBKX-LBPRGKRZSA-N 2 2 268.336 0.633 20 0 CCADLP C[N@@H+](CCF)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001267709277 811670499 /nfs/dbraw/zinc/67/04/99/811670499.db2.gz VNOSIXYRLYDBKX-LBPRGKRZSA-N 2 2 268.336 0.633 20 0 CCADLP CCC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1 ZINC001083570834 815470647 /nfs/dbraw/zinc/47/06/47/815470647.db2.gz RWRXROMRYSLENG-KGLIPLIRSA-N 2 2 288.351 0.748 20 0 CCADLP CCC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1 ZINC001083570834 815470650 /nfs/dbraw/zinc/47/06/50/815470650.db2.gz RWRXROMRYSLENG-KGLIPLIRSA-N 2 2 288.351 0.748 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1CC[NH2+]CCO ZINC001104908577 811767819 /nfs/dbraw/zinc/76/78/19/811767819.db2.gz CHRFDDKXNKAQTO-CHWSQXEVSA-N 2 2 294.399 0.029 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCN2CCOC2=O)[C@@H]1C ZINC000692630377 811790143 /nfs/dbraw/zinc/79/01/43/811790143.db2.gz FFMAERORZHYSEM-IJLUTSLNSA-N 2 2 255.362 0.886 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCN2CCOC2=O)[C@@H]1C ZINC000692630377 811790149 /nfs/dbraw/zinc/79/01/49/811790149.db2.gz FFMAERORZHYSEM-IJLUTSLNSA-N 2 2 255.362 0.886 20 0 CCADLP CCN1CCC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1=O ZINC000722347887 812130985 /nfs/dbraw/zinc/13/09/85/812130985.db2.gz VWSUBEXRNXBPJE-STQMWFEESA-N 2 2 269.389 0.042 20 0 CCADLP CCN1CCC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1=O ZINC000722347887 812130989 /nfs/dbraw/zinc/13/09/89/812130989.db2.gz VWSUBEXRNXBPJE-STQMWFEESA-N 2 2 269.389 0.042 20 0 CCADLP O=C(NC[C@H]1CCC[N@H+]1CCO)c1cc2c[nH+]ccc2[nH]1 ZINC001027970465 812177391 /nfs/dbraw/zinc/17/73/91/812177391.db2.gz KTFIRPVVJZXNLJ-GFCCVEGCSA-N 2 2 288.351 0.749 20 0 CCADLP O=C(NC[C@H]1CCC[N@@H+]1CCO)c1cc2c[nH+]ccc2[nH]1 ZINC001027970465 812177393 /nfs/dbraw/zinc/17/73/93/812177393.db2.gz KTFIRPVVJZXNLJ-GFCCVEGCSA-N 2 2 288.351 0.749 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C1(O)CCCC1 ZINC000905102359 815509992 /nfs/dbraw/zinc/50/99/92/815509992.db2.gz RTXMHUVHARLGGT-ZIAGYGMSSA-N 2 2 268.401 0.726 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C1(O)CCCC1 ZINC000905102359 815509995 /nfs/dbraw/zinc/50/99/95/815509995.db2.gz RTXMHUVHARLGGT-ZIAGYGMSSA-N 2 2 268.401 0.726 20 0 CCADLP O=C(NC[C@H]1CCC[N@H+]1CCO)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001028131046 812300986 /nfs/dbraw/zinc/30/09/86/812300986.db2.gz AZOXMYJRBCBFTC-VXGBXAGGSA-N 2 2 292.383 0.403 20 0 CCADLP O=C(NC[C@H]1CCC[N@@H+]1CCO)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001028131046 812300997 /nfs/dbraw/zinc/30/09/97/812300997.db2.gz AZOXMYJRBCBFTC-VXGBXAGGSA-N 2 2 292.383 0.403 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925829656 812347883 /nfs/dbraw/zinc/34/78/83/812347883.db2.gz FRPYCWOCPGDIOK-KHMAMNHCSA-N 2 2 266.385 0.934 20 0 CCADLP O[C@@H](C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)C(F)(F)F ZINC000709995994 812364757 /nfs/dbraw/zinc/36/47/57/812364757.db2.gz LKTICEPKCABDNM-VHSXEESVSA-N 2 2 252.280 0.985 20 0 CCADLP O[C@@H](C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)C(F)(F)F ZINC000709995994 812364766 /nfs/dbraw/zinc/36/47/66/812364766.db2.gz LKTICEPKCABDNM-VHSXEESVSA-N 2 2 252.280 0.985 20 0 CCADLP CO[C@@H](C)C[N@H+](C)CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001268251882 812416580 /nfs/dbraw/zinc/41/65/80/812416580.db2.gz KJFDKOSYPIKQTA-NSHDSACASA-N 2 2 268.361 0.377 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001268251882 812416583 /nfs/dbraw/zinc/41/65/83/812416583.db2.gz KJFDKOSYPIKQTA-NSHDSACASA-N 2 2 268.361 0.377 20 0 CCADLP C[C@H](CC[NH2+]CCCO)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001268377682 812531728 /nfs/dbraw/zinc/53/17/28/812531728.db2.gz MFSJNEYGTFVJRS-CHWSQXEVSA-N 2 2 294.399 0.312 20 0 CCADLP Cc1nocc1C[NH2+]CC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001268401570 812546938 /nfs/dbraw/zinc/54/69/38/812546938.db2.gz BVJPNEMJPXBJIE-SNVBAGLBSA-N 2 2 291.355 0.933 20 0 CCADLP CC1(C)OCCC12CCN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)CC2 ZINC001161239683 812579956 /nfs/dbraw/zinc/57/99/56/812579956.db2.gz QILXWWSIMLCMIJ-NEPJUHHUSA-N 2 2 281.400 0.483 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCF)C1 ZINC001028329124 812623701 /nfs/dbraw/zinc/62/37/01/812623701.db2.gz GMSGXVDAVZEHFJ-STQMWFEESA-N 2 2 287.379 0.257 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCF)C1 ZINC001028329124 812623708 /nfs/dbraw/zinc/62/37/08/812623708.db2.gz GMSGXVDAVZEHFJ-STQMWFEESA-N 2 2 287.379 0.257 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCF)C1 ZINC001028329124 812623714 /nfs/dbraw/zinc/62/37/14/812623714.db2.gz GMSGXVDAVZEHFJ-STQMWFEESA-N 2 2 287.379 0.257 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CCF)C1 ZINC001028329124 812623720 /nfs/dbraw/zinc/62/37/20/812623720.db2.gz GMSGXVDAVZEHFJ-STQMWFEESA-N 2 2 287.379 0.257 20 0 CCADLP COc1ccc(-c2noc([C@H]3C[NH2+]C[C@@H]3[NH3+])n2)cc1F ZINC001211755665 812670470 /nfs/dbraw/zinc/67/04/70/812670470.db2.gz YCKANMZPMXJWGD-WPRPVWTQSA-N 2 2 278.287 0.898 20 0 CCADLP CCOCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001268652151 812981342 /nfs/dbraw/zinc/98/13/42/812981342.db2.gz BMKUENQTFYTZNE-CHWSQXEVSA-N 2 2 294.399 0.576 20 0 CCADLP C[C@@H](C[NH2+]CC[C@@H]1CCOC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001268689190 813011482 /nfs/dbraw/zinc/01/14/82/813011482.db2.gz RLJHYPTWXISCCU-QWHCGFSZSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@@H](C[NH2+]CC[C@@H]1CCOC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001268689190 813011490 /nfs/dbraw/zinc/01/14/90/813011490.db2.gz RLJHYPTWXISCCU-QWHCGFSZSA-N 2 2 294.399 0.863 20 0 CCADLP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+](CCF)C2)CC1 ZINC001269056770 813195357 /nfs/dbraw/zinc/19/53/57/813195357.db2.gz KZXQFMDWCAAMPH-NSHDSACASA-N 2 2 257.353 0.488 20 0 CCADLP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@@H+](CCF)C2)CC1 ZINC001269056770 813195360 /nfs/dbraw/zinc/19/53/60/813195360.db2.gz KZXQFMDWCAAMPH-NSHDSACASA-N 2 2 257.353 0.488 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+](CCF)C1 ZINC001269290667 813309901 /nfs/dbraw/zinc/30/99/01/813309901.db2.gz ADFJPQMDMAJTCS-LBPRGKRZSA-N 2 2 259.369 0.830 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)[C@H]1CC[NH+](CCF)C1 ZINC001269290667 813309908 /nfs/dbraw/zinc/30/99/08/813309908.db2.gz ADFJPQMDMAJTCS-LBPRGKRZSA-N 2 2 259.369 0.830 20 0 CCADLP CCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@H+](CCF)C1 ZINC001269290667 813309914 /nfs/dbraw/zinc/30/99/14/813309914.db2.gz ADFJPQMDMAJTCS-LBPRGKRZSA-N 2 2 259.369 0.830 20 0 CCADLP O=C(NC[C@H]1CC[N@@H+](CCO)C1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001028796980 813522213 /nfs/dbraw/zinc/52/22/13/813522213.db2.gz KADCGZSMNHAEFW-VXGBXAGGSA-N 2 2 292.383 0.260 20 0 CCADLP O=C(NC[C@H]1CC[N@H+](CCO)C1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001028796980 813522216 /nfs/dbraw/zinc/52/22/16/813522216.db2.gz KADCGZSMNHAEFW-VXGBXAGGSA-N 2 2 292.383 0.260 20 0 CCADLP COCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001038407740 813533266 /nfs/dbraw/zinc/53/32/66/813533266.db2.gz GVAGCWZPCNHHRM-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP COCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001038407740 813533279 /nfs/dbraw/zinc/53/32/79/813533279.db2.gz GVAGCWZPCNHHRM-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP COCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001038407740 813533287 /nfs/dbraw/zinc/53/32/87/813533287.db2.gz GVAGCWZPCNHHRM-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP COCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001038407740 813533293 /nfs/dbraw/zinc/53/32/93/813533293.db2.gz GVAGCWZPCNHHRM-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC001075744383 813691534 /nfs/dbraw/zinc/69/15/34/813691534.db2.gz NEHURJPOFKTZCJ-NWDGAFQWSA-N 2 2 280.347 0.845 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001075744383 813691540 /nfs/dbraw/zinc/69/15/40/813691540.db2.gz NEHURJPOFKTZCJ-NWDGAFQWSA-N 2 2 280.347 0.845 20 0 CCADLP C[NH+]1CC2(C1)CCN(C(=O)CCc1[nH]cc[nH+]1)CC2 ZINC001270457108 813770766 /nfs/dbraw/zinc/77/07/66/813770766.db2.gz XALNXILSNFACDC-UHFFFAOYSA-N 2 2 262.357 0.897 20 0 CCADLP CCC(CO)(CO)Nc1[nH+]cccc1N1CC[NH2+]CC1 ZINC001167970758 813858354 /nfs/dbraw/zinc/85/83/54/813858354.db2.gz ZDELTSPBYWYVDS-UHFFFAOYSA-N 2 2 280.372 0.037 20 0 CCADLP CO[C@H](C)C[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001167977041 813879103 /nfs/dbraw/zinc/87/91/03/813879103.db2.gz GGEKGUHOGMKQDD-NWDGAFQWSA-N 2 2 282.388 0.719 20 0 CCADLP CO[C@H](C)C[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001167977041 813879113 /nfs/dbraw/zinc/87/91/13/813879113.db2.gz GGEKGUHOGMKQDD-NWDGAFQWSA-N 2 2 282.388 0.719 20 0 CCADLP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1C[NH+](CC2CCC2)C1 ZINC001042569906 814540717 /nfs/dbraw/zinc/54/07/17/814540717.db2.gz JLCOLCTVQKQEJC-AWEZNQCLSA-N 2 2 281.400 0.260 20 0 CCADLP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1C[NH+](CC2CCC2)C1 ZINC001042569906 814540724 /nfs/dbraw/zinc/54/07/24/814540724.db2.gz JLCOLCTVQKQEJC-AWEZNQCLSA-N 2 2 281.400 0.260 20 0 CCADLP [NH3+]Cc1cccc(N[C@@H]2CCC[N@@H+](C3COC3)C2)n1 ZINC001168374743 815591200 /nfs/dbraw/zinc/59/12/00/815591200.db2.gz ROWSCEKYFYXXGR-GFCCVEGCSA-N 2 2 262.357 0.815 20 0 CCADLP [NH3+]Cc1cccc(N[C@@H]2CCC[N@H+](C3COC3)C2)n1 ZINC001168374743 815591204 /nfs/dbraw/zinc/59/12/04/815591204.db2.gz ROWSCEKYFYXXGR-GFCCVEGCSA-N 2 2 262.357 0.815 20 0 CCADLP C[C@@H](F)CC[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001030162115 815854245 /nfs/dbraw/zinc/85/42/45/815854245.db2.gz RYVUZEDJRLOSOE-PWSUYJOCSA-N 2 2 257.353 0.629 20 0 CCADLP C[C@@H](F)CC[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001030162115 815854253 /nfs/dbraw/zinc/85/42/53/815854253.db2.gz RYVUZEDJRLOSOE-PWSUYJOCSA-N 2 2 257.353 0.629 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001030323360 815975978 /nfs/dbraw/zinc/97/59/78/815975978.db2.gz LCLVCGXROOFUAP-RISCZKNCSA-N 2 2 281.400 0.164 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001030335488 815980233 /nfs/dbraw/zinc/98/02/33/815980233.db2.gz ZWRXHAJQNBLJOW-NQBHXWOUSA-N 2 2 269.389 0.162 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001030335488 815980237 /nfs/dbraw/zinc/98/02/37/815980237.db2.gz ZWRXHAJQNBLJOW-NQBHXWOUSA-N 2 2 269.389 0.162 20 0 CCADLP CC(C)=CC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001030346017 815985146 /nfs/dbraw/zinc/98/51/46/815985146.db2.gz OFRQVAXCKDASEN-CABCVRRESA-N 2 2 293.411 0.616 20 0 CCADLP CC(C)=CC[NH+]1CC(NC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001030346017 815985152 /nfs/dbraw/zinc/98/51/52/815985152.db2.gz OFRQVAXCKDASEN-CABCVRRESA-N 2 2 293.411 0.616 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC1C[NH+](CC[C@@H]2CCOC2)C1 ZINC001030683728 816215856 /nfs/dbraw/zinc/21/58/56/816215856.db2.gz WGCLUHXLGPVVRM-CYBMUJFWSA-N 2 2 292.383 0.419 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001030684080 816217112 /nfs/dbraw/zinc/21/71/12/816217112.db2.gz KVKTYHPHTXKKRL-LLVKDONJSA-N 2 2 288.351 0.783 20 0 CCADLP COCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001272344312 816345963 /nfs/dbraw/zinc/34/59/63/816345963.db2.gz SQKMERYSCNEMEI-STQMWFEESA-N 2 2 280.372 0.404 20 0 CCADLP CC[N@@H+]1CCOC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001272437299 816427409 /nfs/dbraw/zinc/42/74/09/816427409.db2.gz HRUOSMMLFJQYNS-HNNXBMFYSA-N 2 2 292.383 0.454 20 0 CCADLP CC[N@H+]1CCOC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001272437299 816427414 /nfs/dbraw/zinc/42/74/14/816427414.db2.gz HRUOSMMLFJQYNS-HNNXBMFYSA-N 2 2 292.383 0.454 20 0 CCADLP CCCC[NH+]1CC2(C1)COCC(=O)N2CCn1cc[nH+]c1 ZINC001272467082 816454484 /nfs/dbraw/zinc/45/44/84/816454484.db2.gz MFGIBYIDUGUNMJ-UHFFFAOYSA-N 2 2 292.383 0.596 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001030963930 816511765 /nfs/dbraw/zinc/51/17/65/816511765.db2.gz CVMXYKALTWBHOC-GFCCVEGCSA-N 2 2 283.416 0.554 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001030963930 816511768 /nfs/dbraw/zinc/51/17/68/816511768.db2.gz CVMXYKALTWBHOC-GFCCVEGCSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001122073084 816568118 /nfs/dbraw/zinc/56/81/18/816568118.db2.gz CHROKAGWQSGXKI-QCNOEVLYSA-N 2 2 262.357 0.780 20 0 CCADLP C[C@@H](O)C[NH+]1CC(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001031049874 816607872 /nfs/dbraw/zinc/60/78/72/816607872.db2.gz QXJPLQWWZNQFIG-OLZOCXBDSA-N 2 2 283.416 0.432 20 0 CCADLP C[C@H](C(=O)NC1C[NH+](C[C@H](C)O)C1)[NH+]1CCCCCC1 ZINC001031049875 816607879 /nfs/dbraw/zinc/60/78/79/816607879.db2.gz QXJPLQWWZNQFIG-QWHCGFSZSA-N 2 2 283.416 0.432 20 0 CCADLP CCN(CCNc1cc[nH+]c(C)n1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001106768875 816900792 /nfs/dbraw/zinc/90/07/92/816900792.db2.gz SLPVWFYREYIXEP-CYBMUJFWSA-N 2 2 291.399 0.997 20 0 CCADLP CCN(CCNc1cc[nH+]c(C)n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001106768875 816900799 /nfs/dbraw/zinc/90/07/99/816900799.db2.gz SLPVWFYREYIXEP-CYBMUJFWSA-N 2 2 291.399 0.997 20 0 CCADLP CCCC[NH+]1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001031258893 816910201 /nfs/dbraw/zinc/91/02/01/816910201.db2.gz SOJLPBGQGGXOAN-UHFFFAOYSA-N 2 2 250.346 0.563 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CCCO ZINC001106801065 816922320 /nfs/dbraw/zinc/92/23/20/816922320.db2.gz VNISQOTYLZIRPV-VXGBXAGGSA-N 2 2 280.372 0.019 20 0 CCADLP O=C(C[NH+]1CCCC1)NC1C[NH+](CCC[C@@H]2CCOC2)C1 ZINC001031389128 817022918 /nfs/dbraw/zinc/02/29/18/817022918.db2.gz BWSMDXSVSAZQAR-CQSZACIVSA-N 2 2 295.427 0.699 20 0 CCADLP C[C@@H](F)CC[NH+]1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001031389697 817023547 /nfs/dbraw/zinc/02/35/47/817023547.db2.gz WSHWMZZNSMLEPK-LLVKDONJSA-N 2 2 257.353 0.631 20 0 CCADLP CC1(C)CO[C@H](C[NH+]2CC(NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001031390953 817025676 /nfs/dbraw/zinc/02/56/76/817025676.db2.gz XCVHUBLPYWVSGZ-AWEZNQCLSA-N 2 2 295.427 0.698 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC1C[NH+](C[C@H]2C[C@]23CCOC3)C1 ZINC001031477332 817074159 /nfs/dbraw/zinc/07/41/59/817074159.db2.gz ZYIMPIPSRNLZMM-DOMZBBRYSA-N 2 2 290.367 0.110 20 0 CCADLP O=C(NCC[NH2+]Cc1cnsn1)[C@@H]1C[NH+]2CCC1CC2 ZINC001127474822 817147244 /nfs/dbraw/zinc/14/72/44/817147244.db2.gz PGPFOFGCJFLMOU-GFCCVEGCSA-N 2 2 295.412 0.086 20 0 CCADLP Cc1oncc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001031584444 817165011 /nfs/dbraw/zinc/16/50/11/817165011.db2.gz CLVVNZPRQUNMPP-AWEZNQCLSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1oncc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001031584444 817165015 /nfs/dbraw/zinc/16/50/15/817165015.db2.gz CLVVNZPRQUNMPP-AWEZNQCLSA-N 2 2 292.383 0.625 20 0 CCADLP CO[C@H](C)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001031744854 817308885 /nfs/dbraw/zinc/30/88/85/817308885.db2.gz UODIKAJCGCMEIP-RAIGVLPGSA-N 2 2 292.383 0.596 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2ncccn2)CC[N@@H+]1C ZINC001127689885 817458669 /nfs/dbraw/zinc/45/86/69/817458669.db2.gz AMZMOLZKXNCXNN-VXGBXAGGSA-N 2 2 277.372 0.023 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2ncccn2)CC[N@H+]1C ZINC001127689885 817458671 /nfs/dbraw/zinc/45/86/71/817458671.db2.gz AMZMOLZKXNCXNN-VXGBXAGGSA-N 2 2 277.372 0.023 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)oc1C ZINC001124838143 817591230 /nfs/dbraw/zinc/59/12/30/817591230.db2.gz UMDDDSJGSYOIKI-GFCCVEGCSA-N 2 2 280.372 0.591 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)oc1C ZINC001124838143 817591239 /nfs/dbraw/zinc/59/12/39/817591239.db2.gz UMDDDSJGSYOIKI-GFCCVEGCSA-N 2 2 280.372 0.591 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]([NH2+]CCF)C12CCC2 ZINC001078782539 818052562 /nfs/dbraw/zinc/05/25/62/818052562.db2.gz BMQDWLXZTCPHHB-QWHCGFSZSA-N 2 2 294.374 0.949 20 0 CCADLP COC(OC)c1nccnc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168736019 818540692 /nfs/dbraw/zinc/54/06/92/818540692.db2.gz YARPKLLSVNQYDE-UHFFFAOYSA-N 2 2 294.359 0.362 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(-n3ccnn3)cc2)CC1 ZINC001168736923 818555624 /nfs/dbraw/zinc/55/56/24/818555624.db2.gz RZEYHROCSIELLH-UHFFFAOYSA-N 2 2 285.355 0.861 20 0 CCADLP CC(C)Cn1cc(NC(=[NH2+])N2CC[NH+](C)CC2)cnc1=O ZINC001168740383 818600522 /nfs/dbraw/zinc/60/05/22/818600522.db2.gz GURMWFNYCSWTDL-UHFFFAOYSA-N 2 2 292.387 0.493 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@H+](CCF)C1 ZINC001033266380 818682912 /nfs/dbraw/zinc/68/29/12/818682912.db2.gz OQNMGDKMTVNWSE-LBPRGKRZSA-N 2 2 268.336 0.694 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H]1CC[N@@H+](CCF)C1 ZINC001033266380 818682918 /nfs/dbraw/zinc/68/29/18/818682918.db2.gz OQNMGDKMTVNWSE-LBPRGKRZSA-N 2 2 268.336 0.694 20 0 CCADLP COCC[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CCC1 ZINC001273129116 818701072 /nfs/dbraw/zinc/70/10/72/818701072.db2.gz JUIAYDQCPWAKBS-UHFFFAOYSA-N 2 2 280.372 0.548 20 0 CCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](CCCF)C1 ZINC001033451828 818784630 /nfs/dbraw/zinc/78/46/30/818784630.db2.gz FYIPRTDAUJXFFT-LBPRGKRZSA-N 2 2 268.336 0.845 20 0 CCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CCCF)C1 ZINC001033451828 818784634 /nfs/dbraw/zinc/78/46/34/818784634.db2.gz FYIPRTDAUJXFFT-LBPRGKRZSA-N 2 2 268.336 0.845 20 0 CCADLP CC[C@@H](C[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1)OC ZINC001033704477 818891993 /nfs/dbraw/zinc/89/19/93/818891993.db2.gz VTFGDYYGTDDAAA-KBPBESRZSA-N 2 2 294.399 0.841 20 0 CCADLP CC[C@@H](C[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1)OC ZINC001033704477 818892002 /nfs/dbraw/zinc/89/20/02/818892002.db2.gz VTFGDYYGTDDAAA-KBPBESRZSA-N 2 2 294.399 0.841 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+]CC1CCOCC1 ZINC001128973061 819246915 /nfs/dbraw/zinc/24/69/15/819246915.db2.gz RWRJLFJNSFJHIC-UHFFFAOYSA-N 2 2 280.372 0.475 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC[NH2+]CC1CCOCC1 ZINC001128973061 819246921 /nfs/dbraw/zinc/24/69/21/819246921.db2.gz RWRJLFJNSFJHIC-UHFFFAOYSA-N 2 2 280.372 0.475 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+]C[C@@H]1CCOC1 ZINC001128973392 819249307 /nfs/dbraw/zinc/24/93/07/819249307.db2.gz ZDMJGPYUGGGBRG-NSHDSACASA-N 2 2 266.345 0.085 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC[NH2+]C[C@@H]1CCOC1 ZINC001128973392 819249310 /nfs/dbraw/zinc/24/93/10/819249310.db2.gz ZDMJGPYUGGGBRG-NSHDSACASA-N 2 2 266.345 0.085 20 0 CCADLP CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001035435261 819524092 /nfs/dbraw/zinc/52/40/92/819524092.db2.gz KRFPRYLRWNAJQI-AWEZNQCLSA-N 2 2 288.351 0.785 20 0 CCADLP CC[N@H+]1CCO[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001035435261 819524094 /nfs/dbraw/zinc/52/40/94/819524094.db2.gz KRFPRYLRWNAJQI-AWEZNQCLSA-N 2 2 288.351 0.785 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@@H]1[NH2+]CCO ZINC001036115209 819689493 /nfs/dbraw/zinc/68/94/93/819689493.db2.gz LGQNBGZNXRFSJO-OLZOCXBDSA-N 2 2 294.399 0.172 20 0 CCADLP COCCOCCOCC[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000709011453 819785419 /nfs/dbraw/zinc/78/54/19/819785419.db2.gz WIXUDBUQVAOKFZ-AWEZNQCLSA-N 2 2 274.405 0.869 20 0 CCADLP COCCOCCOCC[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000709011453 819785423 /nfs/dbraw/zinc/78/54/23/819785423.db2.gz WIXUDBUQVAOKFZ-AWEZNQCLSA-N 2 2 274.405 0.869 20 0 CCADLP O=C(N[C@@H]1CCC[NH2+]CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001118848536 820950144 /nfs/dbraw/zinc/95/01/44/820950144.db2.gz YLBOUSUGQVTWTF-NWDGAFQWSA-N 2 2 262.357 0.704 20 0 CCADLP CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C ZINC001082751637 821029482 /nfs/dbraw/zinc/02/94/82/821029482.db2.gz RJSDSURRXLQHED-FDYHWXHSSA-N 2 2 276.384 0.980 20 0 CCADLP CC(C)CC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083954787 821165281 /nfs/dbraw/zinc/16/52/81/821165281.db2.gz IVOQOWPRZQHICU-KGLIPLIRSA-N 2 2 294.399 0.170 20 0 CCADLP CC(C)CC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083954787 821165291 /nfs/dbraw/zinc/16/52/91/821165291.db2.gz IVOQOWPRZQHICU-KGLIPLIRSA-N 2 2 294.399 0.170 20 0 CCADLP Cc1nc(N2CC[NH2+][C@H](C(N)=O)C2)cc(C(C)C)[nH+]1 ZINC001166723868 821300238 /nfs/dbraw/zinc/30/02/38/821300238.db2.gz LIULXWOBVHJPFI-NSHDSACASA-N 2 2 263.345 0.172 20 0 CCADLP c1[nH+]cn(-c2ncnc3c2CC[NH2+]C3)c1C1CC[NH2+]CC1 ZINC001155054425 821983520 /nfs/dbraw/zinc/98/35/20/821983520.db2.gz YAILPDGVWXCSAJ-UHFFFAOYSA-N 3 2 284.367 0.775 20 0 CCADLP NC(=O)c1ccc(-n2c[nH+]cc2C2CC[NH2+]CC2)nc1 ZINC001155054483 821984350 /nfs/dbraw/zinc/98/43/50/821984350.db2.gz ZTPZYKOUXGEKKJ-UHFFFAOYSA-N 2 2 271.324 0.833 20 0 CCADLP CC(C)C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2cnon2)C1 ZINC001129326657 822122695 /nfs/dbraw/zinc/12/26/95/822122695.db2.gz ALDOCTVPIGHXQI-LBPRGKRZSA-N 2 2 295.387 0.253 20 0 CCADLP CC(C)C[N@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2cnon2)C1 ZINC001129326657 822122696 /nfs/dbraw/zinc/12/26/96/822122696.db2.gz ALDOCTVPIGHXQI-LBPRGKRZSA-N 2 2 295.387 0.253 20 0 CCADLP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2cnon2)C1 ZINC001129326655 822123018 /nfs/dbraw/zinc/12/30/18/822123018.db2.gz ALDOCTVPIGHXQI-GFCCVEGCSA-N 2 2 295.387 0.253 20 0 CCADLP CC(C)C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]Cc2cnon2)C1 ZINC001129326655 822123024 /nfs/dbraw/zinc/12/30/24/822123024.db2.gz ALDOCTVPIGHXQI-GFCCVEGCSA-N 2 2 295.387 0.253 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001108243893 822124989 /nfs/dbraw/zinc/12/49/89/822124989.db2.gz BWHVNJYAFXISBK-HNNXBMFYSA-N 2 2 294.399 0.815 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@](C)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001108243893 822124993 /nfs/dbraw/zinc/12/49/93/822124993.db2.gz BWHVNJYAFXISBK-HNNXBMFYSA-N 2 2 294.399 0.815 20 0 CCADLP CC[N@H+](CCC[C@@H](C)O)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155469324 822161959 /nfs/dbraw/zinc/16/19/59/822161959.db2.gz HHSWFQKGCQGTEL-CHWSQXEVSA-N 2 2 296.415 0.940 20 0 CCADLP CC[N@@H+](CCC[C@@H](C)O)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155469324 822161963 /nfs/dbraw/zinc/16/19/63/822161963.db2.gz HHSWFQKGCQGTEL-CHWSQXEVSA-N 2 2 296.415 0.940 20 0 CCADLP CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001086408951 822241786 /nfs/dbraw/zinc/24/17/86/822241786.db2.gz ZZHRXLCMVJNBRX-JHJVBQTASA-N 2 2 276.384 0.950 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)C[N@H+](C)C2CCC2)[nH]1 ZINC001129531589 837518903 /nfs/dbraw/zinc/51/89/03/837518903.db2.gz ANTKIUIGSRGLSZ-JTQLQIEISA-N 2 2 294.403 0.364 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)C[N@@H+](C)C2CCC2)[nH]1 ZINC001129531589 837518916 /nfs/dbraw/zinc/51/89/16/837518916.db2.gz ANTKIUIGSRGLSZ-JTQLQIEISA-N 2 2 294.403 0.364 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[NH2+][C@H](C)c1csnn1)[NH+](C)C ZINC001129950420 837591928 /nfs/dbraw/zinc/59/19/28/837591928.db2.gz TUQLPLUNHRQGCF-PWSUYJOCSA-N 2 2 299.444 0.891 20 0 CCADLP C[C@]1(CO)CCCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001157899686 837601026 /nfs/dbraw/zinc/60/10/26/837601026.db2.gz BJRSPHLODQSQFA-JSGCOSHPSA-N 2 2 280.372 0.291 20 0 CCADLP CN(C)c1cccc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001157915186 837695491 /nfs/dbraw/zinc/69/54/91/837695491.db2.gz UKALWZDQTIRXKX-UHFFFAOYSA-N 2 2 262.361 0.742 20 0 CCADLP C[C@]1(F)CCCCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001157915009 837695583 /nfs/dbraw/zinc/69/55/83/837695583.db2.gz ONQMDJGFNWSVNT-XBFCOCLRSA-N 2 2 269.364 0.679 20 0 CCADLP CC[C@H](C[NH2+]CCNC(=O)Cc1c[nH+]ccc1OC)OC ZINC001130176187 837712255 /nfs/dbraw/zinc/71/22/55/837712255.db2.gz FOQBRLORIUOXJU-CYBMUJFWSA-N 2 2 295.383 0.764 20 0 CCADLP O=C(NCC[NH2+]CCCF)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130477508 837801107 /nfs/dbraw/zinc/80/11/07/837801107.db2.gz FGWWKOVAYUZTLK-LLVKDONJSA-N 2 2 268.336 0.511 20 0 CCADLP C[C@@H](F)CC[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130477149 837801263 /nfs/dbraw/zinc/80/12/63/837801263.db2.gz BPFWUNAKCMSUOU-VXGBXAGGSA-N 2 2 282.363 0.899 20 0 CCADLP COCCC[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130477889 837801345 /nfs/dbraw/zinc/80/13/45/837801345.db2.gz NDOKAXQGKXLBOF-GFCCVEGCSA-N 2 2 280.372 0.188 20 0 CCADLP C[C@H](F)CC[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130477148 837802172 /nfs/dbraw/zinc/80/21/72/837802172.db2.gz BPFWUNAKCMSUOU-RYUDHWBXSA-N 2 2 282.363 0.899 20 0 CCADLP CC(C)OCC[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130487950 837810182 /nfs/dbraw/zinc/81/01/82/837810182.db2.gz LUDLNBFRGPETCR-CYBMUJFWSA-N 2 2 294.399 0.576 20 0 CCADLP O=C(NCC[NH2+]C[C@@H]1CCOC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130484817 837807721 /nfs/dbraw/zinc/80/77/21/837807721.db2.gz WNXJRAHPTWAEKV-QWHCGFSZSA-N 2 2 292.383 0.188 20 0 CCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC[NH2+]C(C)C)C2 ZINC001130491119 837810632 /nfs/dbraw/zinc/81/06/32/837810632.db2.gz LKPNFENTQNGJQT-NSHDSACASA-N 2 2 264.373 0.937 20 0 CCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC[NH2+]C(C)C)CC2 ZINC001130491119 837810648 /nfs/dbraw/zinc/81/06/48/837810648.db2.gz LKPNFENTQNGJQT-NSHDSACASA-N 2 2 264.373 0.937 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001183402383 844013425 /nfs/dbraw/zinc/01/34/25/844013425.db2.gz GUFDKNCKXUJYJC-IJLUTSLNSA-N 2 2 278.356 0.086 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001183402383 844013430 /nfs/dbraw/zinc/01/34/30/844013430.db2.gz GUFDKNCKXUJYJC-IJLUTSLNSA-N 2 2 278.356 0.086 20 0 CCADLP CC(C)[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001108343597 835980620 /nfs/dbraw/zinc/98/06/20/835980620.db2.gz VMUOPNVRPOXLBQ-HNNXBMFYSA-N 2 2 294.399 0.578 20 0 CCADLP CC(C)[N@H+]1CCO[C@@](C)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001108343597 835980628 /nfs/dbraw/zinc/98/06/28/835980628.db2.gz VMUOPNVRPOXLBQ-HNNXBMFYSA-N 2 2 294.399 0.578 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc2nccnc2cn1 ZINC001169066437 836122893 /nfs/dbraw/zinc/12/28/93/836122893.db2.gz BZBIOGAMMLHIQC-SECBINFHSA-N 2 2 270.296 0.073 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc(C(F)(F)F)cnn1 ZINC001169070752 836124069 /nfs/dbraw/zinc/12/40/69/836124069.db2.gz ABGLYIBOCCOKFU-MRVPVSSYSA-N 2 2 287.245 0.543 20 0 CCADLP CCc1nnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1CC ZINC001169072205 836125099 /nfs/dbraw/zinc/12/50/99/836125099.db2.gz KPYSGDYQSYMNPO-SECBINFHSA-N 2 2 276.344 0.044 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2c(n1)COC2 ZINC001169071348 836125769 /nfs/dbraw/zinc/12/57/69/836125769.db2.gz KDZPBCQRAFOOSC-SNVBAGLBSA-N 2 2 260.297 0.160 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1COCCC13OCCO3)C2 ZINC001169099078 836130614 /nfs/dbraw/zinc/13/06/14/836130614.db2.gz MVMWYFGYPJKXQS-YIYPIFLZSA-N 2 2 282.384 0.733 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1COCCC13OCCO3)C2 ZINC001169099078 836130618 /nfs/dbraw/zinc/13/06/18/836130618.db2.gz MVMWYFGYPJKXQS-YIYPIFLZSA-N 2 2 282.384 0.733 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCS(=O)(=O)CC1)C2 ZINC001169091872 836137023 /nfs/dbraw/zinc/13/70/23/836137023.db2.gz WOZUTDWQVXEAEB-CLLJXQQHSA-N 2 2 272.414 0.778 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCS(=O)(=O)CC1)C2 ZINC001169091872 836137029 /nfs/dbraw/zinc/13/70/29/836137029.db2.gz WOZUTDWQVXEAEB-CLLJXQQHSA-N 2 2 272.414 0.778 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Nc2cccc3c2CC[C@H]3[NH3+])C[NH2+]1 ZINC001169136705 836148896 /nfs/dbraw/zinc/14/88/96/836148896.db2.gz POMFKVBLJCQHBA-IUPBHXKESA-N 2 2 275.352 0.948 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]Cc1ccns1 ZINC001169211615 836160153 /nfs/dbraw/zinc/16/01/53/836160153.db2.gz IEOJYHARKHUANB-UHFFFAOYSA-N 2 2 279.369 0.705 20 0 CCADLP CC[NH+]1CCC([NH2+][C@@H](Cc2ccc(O)cc2)C(N)=O)CC1 ZINC001169225300 836162153 /nfs/dbraw/zinc/16/21/53/836162153.db2.gz RVGXDGWCDSPEGC-HNNXBMFYSA-N 2 2 291.395 0.863 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2C[NH+](C)C2)CO1 ZINC001169338351 836231114 /nfs/dbraw/zinc/23/11/14/836231114.db2.gz HFNUEVOPVSAQEW-NEPJUHHUSA-N 2 2 256.346 0.248 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001100138696 836774701 /nfs/dbraw/zinc/77/47/01/836774701.db2.gz KRCYKJXKSSTWHR-KGLIPLIRSA-N 2 2 294.399 0.625 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001100138696 836774706 /nfs/dbraw/zinc/77/47/06/836774706.db2.gz KRCYKJXKSSTWHR-KGLIPLIRSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@@H](O)CCC[NH+]1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001112961767 836979251 /nfs/dbraw/zinc/97/92/51/836979251.db2.gz NGOSXSWBKXLJKI-CQSZACIVSA-N 2 2 297.443 0.776 20 0 CCADLP Cc1c(CC[NH3+])c(=O)[nH]n1-c1ccc(OC2C[NH2+]C2)cn1 ZINC001170344195 837323448 /nfs/dbraw/zinc/32/34/48/837323448.db2.gz IRAYGZMNXDLPQC-UHFFFAOYSA-N 2 2 289.339 0.133 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001158031315 837893491 /nfs/dbraw/zinc/89/34/91/837893491.db2.gz KZCGKHXNBRDVFO-OFQRWUPVSA-N 3 2 294.443 0.306 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]CC[C@H]1CCOC1 ZINC001131652221 838167841 /nfs/dbraw/zinc/16/78/41/838167841.db2.gz DPNOZYBCNVJVEH-ZDUSSCGKSA-N 2 2 294.399 0.485 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]C[C@H]1CCCCO1 ZINC001131656210 838171782 /nfs/dbraw/zinc/17/17/82/838171782.db2.gz LKKNSPZAOGOGIL-CYBMUJFWSA-N 2 2 294.399 0.628 20 0 CCADLP O=C(NCC[NH2+]CC1CC1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001131822464 838232715 /nfs/dbraw/zinc/23/27/15/838232715.db2.gz OGUFXRBFOVZGHD-OAHLLOKOSA-N 2 2 295.427 0.603 20 0 CCADLP O=C(NCC[NH2+]CC1CC1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001131822464 838232727 /nfs/dbraw/zinc/23/27/27/838232727.db2.gz OGUFXRBFOVZGHD-OAHLLOKOSA-N 2 2 295.427 0.603 20 0 CCADLP C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1C[NH2+]CCO ZINC001184901760 844307237 /nfs/dbraw/zinc/30/72/37/844307237.db2.gz FAMKTTGOJSKZIJ-UONOGXRCSA-N 2 2 294.399 0.340 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]Cc1ccc(F)cn1 ZINC001132079707 838312510 /nfs/dbraw/zinc/31/25/10/838312510.db2.gz JBPIPLLWOOIROF-UHFFFAOYSA-N 2 2 291.330 0.713 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]CCOCC1CC1 ZINC001132082006 838313103 /nfs/dbraw/zinc/31/31/03/838313103.db2.gz IBTLZRYLMAYQHM-UHFFFAOYSA-N 2 2 280.372 0.406 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]CCc1ccns1 ZINC001132082570 838314729 /nfs/dbraw/zinc/31/47/29/838314729.db2.gz RLZJCBUVYFOQHY-UHFFFAOYSA-N 2 2 293.396 0.678 20 0 CCADLP CCOCC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001132537499 838429922 /nfs/dbraw/zinc/42/99/22/838429922.db2.gz PKYOJGVIGPVYSX-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP CCOCC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001132537499 838429926 /nfs/dbraw/zinc/42/99/26/838429926.db2.gz PKYOJGVIGPVYSX-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)CCC[NH+](C)C)c1csnn1 ZINC001133042588 838540089 /nfs/dbraw/zinc/54/00/89/838540089.db2.gz JYKQMPOEEYBAIJ-SNVBAGLBSA-N 2 2 285.417 0.647 20 0 CCADLP C[NH+]1CCC(C(=O)NCC[NH2+]Cc2cnsn2)CC1 ZINC001133281709 838585443 /nfs/dbraw/zinc/58/54/43/838585443.db2.gz INAVKKXBHCQVRC-UHFFFAOYSA-N 2 2 283.401 0.086 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)CC[NH+](C)C)oc1C ZINC001133294282 838590695 /nfs/dbraw/zinc/59/06/95/838590695.db2.gz AZFOVONXUMIRQG-UHFFFAOYSA-N 2 2 268.361 0.449 20 0 CCADLP CCc1nnc([C@@H](C)[NH2+]CCNC(=O)CC[NH+](C)C)o1 ZINC001133291181 838590945 /nfs/dbraw/zinc/59/09/45/838590945.db2.gz KUOURVIQWZZZII-SNVBAGLBSA-N 2 2 283.376 0.351 20 0 CCADLP Cn1cc[nH+]c1CCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054292395 838616176 /nfs/dbraw/zinc/61/61/76/838616176.db2.gz IBSZDQDHMRWHGJ-NSHDSACASA-N 2 2 250.346 0.469 20 0 CCADLP O=C(NCC[NH2+]C[C@H]1CCOC1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001133664133 838691421 /nfs/dbraw/zinc/69/14/21/838691421.db2.gz MDJQEWQZIQSABW-VXGBXAGGSA-N 2 2 292.383 0.572 20 0 CCADLP CC(C)[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001133667682 838691529 /nfs/dbraw/zinc/69/15/29/838691529.db2.gz IXGWCAWPKPGDQS-JTQLQIEISA-N 2 2 250.346 0.944 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C)c1csnn1 ZINC001133823794 838723714 /nfs/dbraw/zinc/72/37/14/838723714.db2.gz OPVLRGOHGVOTKZ-QWRGUYRKSA-N 2 2 297.428 0.789 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C)c1csnn1 ZINC001133823794 838723720 /nfs/dbraw/zinc/72/37/20/838723720.db2.gz OPVLRGOHGVOTKZ-QWRGUYRKSA-N 2 2 297.428 0.789 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C)c1ncccn1 ZINC001133823776 838725487 /nfs/dbraw/zinc/72/54/87/838725487.db2.gz OKMMOUSSBOVKEQ-CHWSQXEVSA-N 2 2 291.399 0.728 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C)c1ncccn1 ZINC001133823776 838725494 /nfs/dbraw/zinc/72/54/94/838725494.db2.gz OKMMOUSSBOVKEQ-CHWSQXEVSA-N 2 2 291.399 0.728 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2csnn2)C1 ZINC001133842352 838742729 /nfs/dbraw/zinc/74/27/29/838742729.db2.gz MNODMGLOAOLLDO-JTQLQIEISA-N 2 2 283.401 0.086 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2csnn2)C1 ZINC001133842352 838742724 /nfs/dbraw/zinc/74/27/24/838742724.db2.gz MNODMGLOAOLLDO-JTQLQIEISA-N 2 2 283.401 0.086 20 0 CCADLP CC1(C)CC[N@H+](CC(=O)NCC[NH2+]Cc2ncccn2)C1 ZINC001133894227 838767565 /nfs/dbraw/zinc/76/75/65/838767565.db2.gz YMXIFSGPPHATRF-UHFFFAOYSA-N 2 2 291.399 0.414 20 0 CCADLP CC1(C)CC[N@@H+](CC(=O)NCC[NH2+]Cc2ncccn2)C1 ZINC001133894227 838767571 /nfs/dbraw/zinc/76/75/71/838767571.db2.gz YMXIFSGPPHATRF-UHFFFAOYSA-N 2 2 291.399 0.414 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)C[N@@H+]2CCC(C)(C)C2)co1 ZINC001133896883 838770009 /nfs/dbraw/zinc/77/00/09/838770009.db2.gz SWDPFTHAMAAECC-UHFFFAOYSA-N 2 2 294.399 0.921 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)C[N@H+]2CCC(C)(C)C2)co1 ZINC001133896883 838770016 /nfs/dbraw/zinc/77/00/16/838770016.db2.gz SWDPFTHAMAAECC-UHFFFAOYSA-N 2 2 294.399 0.921 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]C[C@@H]1CCOC1 ZINC001134046222 838841018 /nfs/dbraw/zinc/84/10/18/838841018.db2.gz VOWALGDUSQJDIK-YNEHKIRRSA-N 2 2 292.383 0.266 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]CC1CC1 ZINC001134049945 838843732 /nfs/dbraw/zinc/84/37/32/838843732.db2.gz WDIABZFPMLTKLU-VXGBXAGGSA-N 2 2 262.357 0.639 20 0 CCADLP CC(C)COCC[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134392930 838964741 /nfs/dbraw/zinc/96/47/41/838964741.db2.gz BYAXCQALVVUAJB-UHFFFAOYSA-N 2 2 268.361 0.331 20 0 CCADLP C[C@@H](CC(=O)NCC[NH2+]CCCF)n1cc[nH+]c1 ZINC001134498480 838995235 /nfs/dbraw/zinc/99/52/35/838995235.db2.gz HWLZBKRIKKIDAC-NSHDSACASA-N 2 2 256.325 0.900 20 0 CCADLP C[C@H](CC(=O)NCC[NH2+]CCOCC1CC1)n1cc[nH+]c1 ZINC001134518035 839001468 /nfs/dbraw/zinc/00/14/68/839001468.db2.gz ZYHLTJBJDWUYNG-CYBMUJFWSA-N 2 2 294.399 0.967 20 0 CCADLP Cc1noc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001185384369 844406933 /nfs/dbraw/zinc/40/69/33/844406933.db2.gz CRMFTSCZBOGPLN-LLVKDONJSA-N 2 2 281.360 0.020 20 0 CCADLP Cc1nc(NCCOCCOCC[NH3+])c2c([nH+]1)CCC2 ZINC001159445280 839194234 /nfs/dbraw/zinc/19/42/34/839194234.db2.gz IVCXTHLKSQPLQO-UHFFFAOYSA-N 2 2 280.372 0.678 20 0 CCADLP C[C@H](C[C@@H](C)[NH2+]CCCO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135552543 839291581 /nfs/dbraw/zinc/29/15/81/839291581.db2.gz HODIHYDFXUGVAA-GHMZBOCLSA-N 2 2 268.361 0.208 20 0 CCADLP Cc1cccnc1C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135760155 839395947 /nfs/dbraw/zinc/39/59/47/839395947.db2.gz JLMQGMXDXYKHPS-UHFFFAOYSA-N 2 2 273.340 0.562 20 0 CCADLP Cc1[nH+]cn(-c2ccc(N[C@H]([NH3+])CCC[NH3+])nn2)c1C ZINC001170897321 839543210 /nfs/dbraw/zinc/54/32/10/839543210.db2.gz MJQTYQDTVPFQEO-NSHDSACASA-N 3 2 275.360 0.715 20 0 CCADLP CCCOC[C@H](O)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001245995686 839579259 /nfs/dbraw/zinc/57/92/59/839579259.db2.gz DOOBKKYDNATLHD-VWYCJHECSA-N 2 2 284.322 0.904 20 0 CCADLP F[C@]1(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCCC[NH2+]C1 ZINC001246111498 839622367 /nfs/dbraw/zinc/62/23/67/839622367.db2.gz JCSRKVIHQHVPLH-QWHCGFSZSA-N 3 2 270.396 0.152 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]C2)C[C@@H]1C(=O)OC ZINC001246126803 839633419 /nfs/dbraw/zinc/63/34/19/839633419.db2.gz JVACDSNTBOJBFI-YFKTTZPYSA-N 2 2 284.356 0.069 20 0 CCADLP C1C[N@@H+](C2CC[NH2+]CC2)C[C@@H]1N[C@@H]1CCC[NH2+]C1 ZINC001246371308 839825012 /nfs/dbraw/zinc/82/50/12/839825012.db2.gz JFFDJGFCAZEJEO-CHWSQXEVSA-N 3 2 252.406 0.154 20 0 CCADLP C1C[N@H+](C2CC[NH2+]CC2)C[C@@H]1N[C@@H]1CCC[NH2+]C1 ZINC001246371308 839825013 /nfs/dbraw/zinc/82/50/13/839825013.db2.gz JFFDJGFCAZEJEO-CHWSQXEVSA-N 3 2 252.406 0.154 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCC[NH2+]CCC[NH3+])C1 ZINC001246454385 839847557 /nfs/dbraw/zinc/84/75/57/839847557.db2.gz SCAAQSRNGXMQJW-OLZOCXBDSA-N 3 2 271.405 0.636 20 0 CCADLP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090846969 839850683 /nfs/dbraw/zinc/85/06/83/839850683.db2.gz KJNODBBHRRRPNG-UONOGXRCSA-N 2 2 292.383 0.401 20 0 CCADLP CC(C)=CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090846969 839850691 /nfs/dbraw/zinc/85/06/91/839850691.db2.gz KJNODBBHRRRPNG-UONOGXRCSA-N 2 2 292.383 0.401 20 0 CCADLP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090846967 839851806 /nfs/dbraw/zinc/85/18/06/839851806.db2.gz KJNODBBHRRRPNG-KBPBESRZSA-N 2 2 292.383 0.401 20 0 CCADLP CC(C)=CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090846967 839851813 /nfs/dbraw/zinc/85/18/13/839851813.db2.gz KJNODBBHRRRPNG-KBPBESRZSA-N 2 2 292.383 0.401 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)CN1 ZINC001246556627 840005538 /nfs/dbraw/zinc/00/55/38/840005538.db2.gz JXNDOPDQBFTLGT-DCAQKATOSA-N 2 2 291.342 0.196 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)CN1 ZINC001246556627 840005542 /nfs/dbraw/zinc/00/55/42/840005542.db2.gz JXNDOPDQBFTLGT-DCAQKATOSA-N 2 2 291.342 0.196 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]CC[C@H]1CCCO1 ZINC001171237431 840176246 /nfs/dbraw/zinc/17/62/46/840176246.db2.gz JPPIJPJOSSQYSO-CQSZACIVSA-N 2 2 294.399 0.628 20 0 CCADLP C[C@H]1CC[C@H](C[NH2+]CCCNC(=O)Cc2c[nH+]cn2C)O1 ZINC001171238939 840179498 /nfs/dbraw/zinc/17/94/98/840179498.db2.gz TWCNDSGWIRKEAX-GXTWGEPZSA-N 2 2 294.399 0.626 20 0 CCADLP COCCCC[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171243948 840186498 /nfs/dbraw/zinc/18/64/98/840186498.db2.gz HOXCSQWMXRDETR-UHFFFAOYSA-N 2 2 282.388 0.485 20 0 CCADLP COC(=O)[C@H]1CC[N@H+](CC(=O)NC2C[NH+](C(C)(C)C)C2)C1 ZINC001186117403 844513762 /nfs/dbraw/zinc/51/37/62/844513762.db2.gz XPDCQWXPBIVIBP-NSHDSACASA-N 2 2 297.399 0.080 20 0 CCADLP C[N@@H+]1CCC[C@@H]([NH+]2CCN[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246645600 840227167 /nfs/dbraw/zinc/22/71/67/840227167.db2.gz UZPOJPVDSBPZDF-ZIAGYGMSSA-N 3 2 252.406 0.108 20 0 CCADLP C[N@H+]1CCC[C@@H]([NH+]2CCN[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246645600 840227179 /nfs/dbraw/zinc/22/71/79/840227179.db2.gz UZPOJPVDSBPZDF-ZIAGYGMSSA-N 3 2 252.406 0.108 20 0 CCADLP C[NH+]1CCC[C@@H]([N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246645600 840227187 /nfs/dbraw/zinc/22/71/87/840227187.db2.gz UZPOJPVDSBPZDF-ZIAGYGMSSA-N 3 2 252.406 0.108 20 0 CCADLP C[NH+]1CCC[C@@H]([N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001246645600 840227194 /nfs/dbraw/zinc/22/71/94/840227194.db2.gz UZPOJPVDSBPZDF-ZIAGYGMSSA-N 3 2 252.406 0.108 20 0 CCADLP COC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001160908944 840264014 /nfs/dbraw/zinc/26/40/14/840264014.db2.gz FOTAKUHHARSQQU-LJHFBBCUSA-N 2 2 279.384 0.377 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]C[C@H]1CC[C@H](C)O1 ZINC001149123221 840322853 /nfs/dbraw/zinc/32/28/53/840322853.db2.gz IWZFRVQFIPKBRT-CMPLNLGQSA-N 2 2 280.372 0.534 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]Cc1cnoc1C ZINC001149123199 840324310 /nfs/dbraw/zinc/32/43/10/840324310.db2.gz ITCXHODQSYCJBD-UHFFFAOYSA-N 2 2 277.328 0.463 20 0 CCADLP CC(=O)N1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C ZINC001246890918 840414855 /nfs/dbraw/zinc/41/48/55/840414855.db2.gz WDQIKIMRGAKXCU-BKQLOGFTSA-N 2 2 251.374 0.822 20 0 CCADLP CC(=O)N1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C ZINC001246890918 840414861 /nfs/dbraw/zinc/41/48/61/840414861.db2.gz WDQIKIMRGAKXCU-BKQLOGFTSA-N 2 2 251.374 0.822 20 0 CCADLP CC[N@@H+]1CC[C@H]1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC001147455995 840601909 /nfs/dbraw/zinc/60/19/09/840601909.db2.gz BHKUEXRAQVVYDV-NEPJUHHUSA-N 2 2 250.346 0.730 20 0 CCADLP CC[N@H+]1CC[C@H]1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC001147455995 840601913 /nfs/dbraw/zinc/60/19/13/840601913.db2.gz BHKUEXRAQVVYDV-NEPJUHHUSA-N 2 2 250.346 0.730 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]Cc1nccnc1C ZINC001149124880 840608513 /nfs/dbraw/zinc/60/85/13/840608513.db2.gz WXHONPNWGWJJSL-UHFFFAOYSA-N 2 2 288.355 0.265 20 0 CCADLP CO[C@H](C[NH2+]CCNC(=O)Cc1c[nH+]cn1C)C1CCC1 ZINC001147876981 840712036 /nfs/dbraw/zinc/71/20/36/840712036.db2.gz BCOIDIPVMQLDHH-CQSZACIVSA-N 2 2 294.399 0.484 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CCc1ccns1 ZINC001147878249 840712594 /nfs/dbraw/zinc/71/25/94/840712594.db2.gz WLDWUOKFKVQSRH-UHFFFAOYSA-N 2 2 293.396 0.368 20 0 CCADLP CCO[C@@H](C[NH2+]CCNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001147878244 840713265 /nfs/dbraw/zinc/71/32/65/840713265.db2.gz WHWOBPPKBTWELX-AWEZNQCLSA-N 2 2 294.399 0.484 20 0 CCADLP Cc1ncccc1C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147900891 840720567 /nfs/dbraw/zinc/72/05/67/840720567.db2.gz YFJFGWPHPLMGQL-UHFFFAOYSA-N 2 2 287.367 0.572 20 0 CCADLP CCCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186576118 844569835 /nfs/dbraw/zinc/56/98/35/844569835.db2.gz MGWXGMRIZNEJNB-LLVKDONJSA-N 2 2 250.346 0.943 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1nc(CC)no1 ZINC001148642012 840860932 /nfs/dbraw/zinc/86/09/32/840860932.db2.gz BRMNMFIMSUXBJH-UHFFFAOYSA-N 2 2 283.376 0.180 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1nc(CC)no1 ZINC001148642012 840860945 /nfs/dbraw/zinc/86/09/45/840860945.db2.gz BRMNMFIMSUXBJH-UHFFFAOYSA-N 2 2 283.376 0.180 20 0 CCADLP CCN(CC[NH2+]C[C@@H](C)O)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001273448964 840928651 /nfs/dbraw/zinc/92/86/51/840928651.db2.gz HKNMVABPWODJSX-CYBMUJFWSA-N 2 2 296.415 0.746 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1OCC ZINC001087093983 840959026 /nfs/dbraw/zinc/95/90/26/840959026.db2.gz MDMHLSLTHMWSRB-VXGBXAGGSA-N 2 2 280.372 0.425 20 0 CCADLP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC001186808312 844599415 /nfs/dbraw/zinc/59/94/15/844599415.db2.gz LGGLZYXYNDSEDZ-GFCCVEGCSA-N 2 2 295.387 0.410 20 0 CCADLP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC001186808312 844599418 /nfs/dbraw/zinc/59/94/18/844599418.db2.gz LGGLZYXYNDSEDZ-GFCCVEGCSA-N 2 2 295.387 0.410 20 0 CCADLP C[C@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)[C@H]1CCC[NH2+]1 ZINC000714337902 841193972 /nfs/dbraw/zinc/19/39/72/841193972.db2.gz KJZAMMMARZOOEH-SDDRHHMPSA-N 2 2 260.403 0.684 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715113288 841257529 /nfs/dbraw/zinc/25/75/29/841257529.db2.gz BTJDLESODFDJHC-CIUDSAMLSA-N 2 2 258.272 0.228 20 0 CCADLP CC[NH+](CC)CC(=O)NCCNc1cc[nH+]c(C)n1 ZINC001093645618 841400127 /nfs/dbraw/zinc/40/01/27/841400127.db2.gz MQKWNTIIVWORIV-UHFFFAOYSA-N 2 2 265.361 0.655 20 0 CCADLP Cc1nc(NCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc[nH+]1 ZINC001094199690 841565012 /nfs/dbraw/zinc/56/50/12/841565012.db2.gz GQKITGBKEHVNEV-ZYHUDNBSSA-N 2 2 277.372 0.653 20 0 CCADLP Cc1nc(NCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc[nH+]1 ZINC001094199690 841565025 /nfs/dbraw/zinc/56/50/25/841565025.db2.gz GQKITGBKEHVNEV-ZYHUDNBSSA-N 2 2 277.372 0.653 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(C(C)(C)O)CC1 ZINC000716391934 841650167 /nfs/dbraw/zinc/65/01/67/841650167.db2.gz UZVIOMIGFKZUEA-AWEZNQCLSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(C)(C)O)CC1 ZINC000716391934 841650172 /nfs/dbraw/zinc/65/01/72/841650172.db2.gz UZVIOMIGFKZUEA-AWEZNQCLSA-N 2 2 288.432 0.408 20 0 CCADLP CCN1CC[C@@H]([NH2+]CCCn2cc[nH+]c2)CC1=O ZINC001172020307 841799051 /nfs/dbraw/zinc/79/90/51/841799051.db2.gz GHNOBBGLIHGIGO-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP C[C@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC(=O)N1 ZINC001172117492 841853226 /nfs/dbraw/zinc/85/32/26/841853226.db2.gz HHAGOFIYMUMFQI-WUHRBBMRSA-N 2 2 251.374 0.822 20 0 CCADLP C[C@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC(=O)N1 ZINC001172117492 841853238 /nfs/dbraw/zinc/85/32/38/841853238.db2.gz HHAGOFIYMUMFQI-WUHRBBMRSA-N 2 2 251.374 0.822 20 0 CCADLP C[C@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC(=O)N1 ZINC001172117492 841853241 /nfs/dbraw/zinc/85/32/41/841853241.db2.gz HHAGOFIYMUMFQI-WUHRBBMRSA-N 2 2 251.374 0.822 20 0 CCADLP C[C@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC(=O)N1 ZINC001172117492 841853250 /nfs/dbraw/zinc/85/32/50/841853250.db2.gz HHAGOFIYMUMFQI-WUHRBBMRSA-N 2 2 251.374 0.822 20 0 CCADLP CC1(C)C[C@H](n2c[nH+]cc2CCNC(=O)CC[NH3+])CO1 ZINC001172278513 841914765 /nfs/dbraw/zinc/91/47/65/841914765.db2.gz VEPLJDUVLVNKQB-LBPRGKRZSA-N 2 2 280.372 0.631 20 0 CCADLP COCCn1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cn1 ZINC001206173569 841955474 /nfs/dbraw/zinc/95/54/74/841955474.db2.gz IHRVTUOYNSVQRI-CHWSQXEVSA-N 2 2 270.352 0.791 20 0 CCADLP COCCn1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cn1 ZINC001206173569 841955477 /nfs/dbraw/zinc/95/54/77/841955477.db2.gz IHRVTUOYNSVQRI-CHWSQXEVSA-N 2 2 270.352 0.791 20 0 CCADLP CCOC(=O)C[C@@H]1CC[C@H]([NH2+]C2(C[NH3+])COC2)C1 ZINC001173631167 842120505 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Cc1nnc([C@@H](C)[NH2+]CCCNC(=O)Cn2cc[nH+]c2)[nH]1 ZINC001177406342 842580694 /nfs/dbraw/zinc/58/06/94/842580694.db2.gz VSMNAGCJJCHYCM-SNVBAGLBSA-N 2 2 291.359 0.167 20 0 CCADLP C[C@H](C(=O)N(c1ncccn1)C1C[NH2+]C1)n1cc[nH+]c1 ZINC001177925356 842711739 /nfs/dbraw/zinc/71/17/39/842711739.db2.gz IORXHMWPXKQUFH-SNVBAGLBSA-N 2 2 272.312 0.239 20 0 CCADLP Cc1ncc(C[NH3+])c(=N)n1C(=O)CCc1[nH]cc[nH+]1 ZINC001177997961 842720671 /nfs/dbraw/zinc/72/06/71/842720671.db2.gz IBLWKCWPZRQPGX-UHFFFAOYSA-N 2 2 260.301 0.126 20 0 CCADLP CCOCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001179617789 843028265 /nfs/dbraw/zinc/02/82/65/843028265.db2.gz QCKNXZPIOHTCFY-AAEUAGOBSA-N 2 2 280.372 0.568 20 0 CCADLP C[C@@H](O)CCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC001179783125 843042724 /nfs/dbraw/zinc/04/27/24/843042724.db2.gz CYHOZPJQMGVPQI-AGIUHOORSA-N 2 2 294.399 0.692 20 0 CCADLP Cn1cc[nH+]c1CCNC(=O)C[N@@H+](C)C1CCCC1 ZINC001180632856 843239398 /nfs/dbraw/zinc/23/93/98/843239398.db2.gz LYNYJIBOUYLUKP-UHFFFAOYSA-N 2 2 264.373 0.953 20 0 CCADLP C[C@@H](CC(=O)N1CCC(C[NH2+]CCO)CC1)n1cc[nH+]c1 ZINC001206427774 843267711 /nfs/dbraw/zinc/26/77/11/843267711.db2.gz KWGYBATZPBSKDL-ZDUSSCGKSA-N 2 2 294.399 0.655 20 0 CCADLP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1C[NH+](C)C1 ZINC001182012762 843692248 /nfs/dbraw/zinc/69/22/48/843692248.db2.gz OFVJVQCHYIIADZ-ZDUSSCGKSA-N 2 2 251.374 0.491 20 0 CCADLP CCOCC[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001182221168 843757610 /nfs/dbraw/zinc/75/76/10/843757610.db2.gz YJODRAMXYLNZQD-GFCCVEGCSA-N 2 2 280.372 0.569 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2cnc3cccnc3c2)C[C@@H]1O ZINC001206518954 843846082 /nfs/dbraw/zinc/84/60/82/843846082.db2.gz GLOUUGRYFHZDAB-FZMZJTMJSA-N 2 2 258.325 0.381 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2cnc3cccnc3c2)C[C@@H]1O ZINC001206518954 843846094 /nfs/dbraw/zinc/84/60/94/843846094.db2.gz GLOUUGRYFHZDAB-FZMZJTMJSA-N 2 2 258.325 0.381 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2CC2CC2)C1 ZINC001182557781 843854362 /nfs/dbraw/zinc/85/43/62/843854362.db2.gz NQRSVTCEZXNXAI-KGLIPLIRSA-N 2 2 281.400 0.308 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2CC2CC2)C1 ZINC001182557781 843854374 /nfs/dbraw/zinc/85/43/74/843854374.db2.gz NQRSVTCEZXNXAI-KGLIPLIRSA-N 2 2 281.400 0.308 20 0 CCADLP C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC2CC2)C1 ZINC001182557781 843854380 /nfs/dbraw/zinc/85/43/80/843854380.db2.gz NQRSVTCEZXNXAI-KGLIPLIRSA-N 2 2 281.400 0.308 20 0 CCADLP C[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2CC2CC2)C1 ZINC001182557781 843854391 /nfs/dbraw/zinc/85/43/91/843854391.db2.gz NQRSVTCEZXNXAI-KGLIPLIRSA-N 2 2 281.400 0.308 20 0 CCADLP CC(C)[N@@H+]1CC[C@H]1C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001182850160 843935800 /nfs/dbraw/zinc/93/58/00/843935800.db2.gz ZDZVGCCKDWQCID-LBPRGKRZSA-N 2 2 275.356 0.264 20 0 CCADLP CC(C)[N@H+]1CC[C@H]1C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001182850160 843935801 /nfs/dbraw/zinc/93/58/01/843935801.db2.gz ZDZVGCCKDWQCID-LBPRGKRZSA-N 2 2 275.356 0.264 20 0 CCADLP COC[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001183115902 843967317 /nfs/dbraw/zinc/96/73/17/843967317.db2.gz KOBRWSIZMSGZKS-WCQYABFASA-N 2 2 280.372 0.568 20 0 CCADLP COC[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001183115902 843967321 /nfs/dbraw/zinc/96/73/21/843967321.db2.gz KOBRWSIZMSGZKS-WCQYABFASA-N 2 2 280.372 0.568 20 0 CCADLP CCCCOCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001188375447 844875734 /nfs/dbraw/zinc/87/57/34/844875734.db2.gz IWAHGFVINBAYBI-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+]([C@H](C)[C@@H](C)O)CC2)c1 ZINC001190871909 845530690 /nfs/dbraw/zinc/53/06/90/845530690.db2.gz CNUKJGIBJLBFNC-VXGBXAGGSA-N 2 2 265.357 0.982 20 0 CCADLP COC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001191633678 845699340 /nfs/dbraw/zinc/69/93/40/845699340.db2.gz SMJOIRRBFHWRGR-ZIAGYGMSSA-N 2 2 294.399 0.841 20 0 CCADLP COC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001191633678 845699342 /nfs/dbraw/zinc/69/93/42/845699342.db2.gz SMJOIRRBFHWRGR-ZIAGYGMSSA-N 2 2 294.399 0.841 20 0 CCADLP C[N@H+](CCCF)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192550334 845866502 /nfs/dbraw/zinc/86/65/02/845866502.db2.gz HPSTVDUINFVBFA-LBPRGKRZSA-N 2 2 268.336 0.845 20 0 CCADLP C[N@@H+](CCCF)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192550334 845866509 /nfs/dbraw/zinc/86/65/09/845866509.db2.gz HPSTVDUINFVBFA-LBPRGKRZSA-N 2 2 268.336 0.845 20 0 CCADLP CCOCCC[N@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193047698 845964374 /nfs/dbraw/zinc/96/43/74/845964374.db2.gz JITIMPIIQVHBET-ZDUSSCGKSA-N 2 2 294.399 0.912 20 0 CCADLP CCOCCC[N@@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193047698 845964380 /nfs/dbraw/zinc/96/43/80/845964380.db2.gz JITIMPIIQVHBET-ZDUSSCGKSA-N 2 2 294.399 0.912 20 0 CCADLP CO[C@@H](C)C[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194448455 846303008 /nfs/dbraw/zinc/30/30/08/846303008.db2.gz FVEUUPSAQSPDRZ-STQMWFEESA-N 2 2 280.372 0.451 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194448455 846303012 /nfs/dbraw/zinc/30/30/12/846303012.db2.gz FVEUUPSAQSPDRZ-STQMWFEESA-N 2 2 280.372 0.451 20 0 CCADLP C[C@@H]1C[N@H+](CCN2C[C@H]3CC[NH+](C)[C@H]3C2)CCO1 ZINC001194519940 846314451 /nfs/dbraw/zinc/31/44/51/846314451.db2.gz WLHNVGSHAAWLTJ-MCIONIFRSA-N 2 2 253.390 0.343 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2C[C@H]3CC[NH+](C)[C@H]3C2)CCO1 ZINC001194519940 846314452 /nfs/dbraw/zinc/31/44/52/846314452.db2.gz WLHNVGSHAAWLTJ-MCIONIFRSA-N 2 2 253.390 0.343 20 0 CCADLP C[C@@H]1C[NH+](CCN2C[C@H]3CC[N@H+](C)[C@H]3C2)CCO1 ZINC001194519940 846314453 /nfs/dbraw/zinc/31/44/53/846314453.db2.gz WLHNVGSHAAWLTJ-MCIONIFRSA-N 2 2 253.390 0.343 20 0 CCADLP C[C@@H]1C[NH+](CCN2C[C@H]3CC[N@@H+](C)[C@H]3C2)CCO1 ZINC001194519940 846314454 /nfs/dbraw/zinc/31/44/54/846314454.db2.gz WLHNVGSHAAWLTJ-MCIONIFRSA-N 2 2 253.390 0.343 20 0 CCADLP CC(C)CN1C[C@@]2(CC[N@H+](CCC[NH+](C)C)C2)OCC1=O ZINC001273714065 846694600 /nfs/dbraw/zinc/69/46/00/846694600.db2.gz OLINRRLOILAHQV-INIZCTEOSA-N 2 2 297.443 0.897 20 0 CCADLP CC(C)CN1C[C@@]2(CC[N@@H+](CCC[NH+](C)C)C2)OCC1=O ZINC001273714065 846694606 /nfs/dbraw/zinc/69/46/06/846694606.db2.gz OLINRRLOILAHQV-INIZCTEOSA-N 2 2 297.443 0.897 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCCC[C@@](O)(CF)C2)O1 ZINC001205862998 847313860 /nfs/dbraw/zinc/31/38/60/847313860.db2.gz IINOESCKEDUNDZ-WCQYABFASA-N 2 2 260.353 0.897 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCCC[C@@](O)(CF)C2)O1 ZINC001205862998 847313869 /nfs/dbraw/zinc/31/38/69/847313869.db2.gz IINOESCKEDUNDZ-WCQYABFASA-N 2 2 260.353 0.897 20 0 CCADLP CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001199385689 847314582 /nfs/dbraw/zinc/31/45/82/847314582.db2.gz WYCHVGROFLMVCO-HUUCEWRRSA-N 2 2 291.395 0.300 20 0 CCADLP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001199385689 847314562 /nfs/dbraw/zinc/31/45/62/847314562.db2.gz WYCHVGROFLMVCO-HUUCEWRRSA-N 2 2 291.395 0.300 20 0 CCADLP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001199385689 847314570 /nfs/dbraw/zinc/31/45/70/847314570.db2.gz WYCHVGROFLMVCO-HUUCEWRRSA-N 2 2 291.395 0.300 20 0 CCADLP CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001199385689 847314576 /nfs/dbraw/zinc/31/45/76/847314576.db2.gz WYCHVGROFLMVCO-HUUCEWRRSA-N 2 2 291.395 0.300 20 0 CCADLP COCCC[NH2+]C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001200292347 847599566 /nfs/dbraw/zinc/59/95/66/847599566.db2.gz SEOXQYFWYKDGBB-UHFFFAOYSA-N 2 2 294.399 0.959 20 0 CCADLP Cn1cc[nH+]c1CCNC(=S)NCC[NH+]1CCCCC1 ZINC001200443889 847628375 /nfs/dbraw/zinc/62/83/75/847628375.db2.gz BYCVAKCMBAXYIN-UHFFFAOYSA-N 2 2 295.456 0.913 20 0 CCADLP Cc1cc(C[NH+]2CCN(CCC[NH+](C)C)CC2)n(C)n1 ZINC001205918353 847781491 /nfs/dbraw/zinc/78/14/91/847781491.db2.gz AFGHHWBRRFTUOP-UHFFFAOYSA-N 2 2 279.432 0.798 20 0 CCADLP Cc1cnc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001273909889 847820003 /nfs/dbraw/zinc/82/00/03/847820003.db2.gz LCBHATSNRCTYFM-SCOBNMCVSA-N 2 2 292.383 0.839 20 0 CCADLP CCOCC[NH2+]C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001201892900 847823925 /nfs/dbraw/zinc/82/39/25/847823925.db2.gz NEIPYXAKUJXCCV-UHFFFAOYSA-N 2 2 294.399 0.890 20 0 CCADLP [NH3+][C@H]1CN(CC[NH+]2CCOCC2)CC[C@@H]1C(F)(F)F ZINC000717090161 848128307 /nfs/dbraw/zinc/12/83/07/848128307.db2.gz AKBOLNUNJBBZQV-QWRGUYRKSA-N 2 2 281.322 0.530 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@H](O)c1ccc(F)cc1F ZINC000717319094 848228022 /nfs/dbraw/zinc/22/80/22/848228022.db2.gz SJMIBTPMRJGUJL-MFKMUULPSA-N 2 2 274.311 0.510 20 0 CCADLP CC[NH2+]C/C=C\CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001274143429 848359534 /nfs/dbraw/zinc/35/95/34/848359534.db2.gz SBZNWYGMWNABDH-MVZIDQBPSA-N 2 2 262.357 0.727 20 0 CCADLP Cc1cc(C[NH2+]C/C=C\CNC(=O)[C@H]2CC[N@@H+](C)C2)no1 ZINC001274579189 848512044 /nfs/dbraw/zinc/51/20/44/848512044.db2.gz RNGQEQAIHUCCCE-SCOBNMCVSA-N 2 2 292.383 0.697 20 0 CCADLP Cc1cc(C[NH2+]C/C=C\CNC(=O)[C@H]2CC[N@H+](C)C2)no1 ZINC001274579189 848512051 /nfs/dbraw/zinc/51/20/51/848512051.db2.gz RNGQEQAIHUCCCE-SCOBNMCVSA-N 2 2 292.383 0.697 20 0 CCADLP COCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001274818222 848573833 /nfs/dbraw/zinc/57/38/33/848573833.db2.gz IWRUJMXHSUCVQZ-NEPJUHHUSA-N 2 2 280.372 0.186 20 0 CCADLP COCC[NH2+][C@@H](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001274840512 848575267 /nfs/dbraw/zinc/57/52/67/848575267.db2.gz GWTDZNUWBPGSII-NSHDSACASA-N 2 2 254.334 0.014 20 0 CCADLP CC(C)C[N@H+]1C[C@H]2CN(CCn3cc[nH+]c3)C[C@@H](C1)O2 ZINC001275056444 848622352 /nfs/dbraw/zinc/62/23/52/848622352.db2.gz VJKFCMWYXQGATR-GASCZTMLSA-N 2 2 278.400 0.924 20 0 CCADLP CC(C)C[N@@H+]1C[C@H]2CN(CCn3cc[nH+]c3)C[C@@H](C1)O2 ZINC001275056444 848622355 /nfs/dbraw/zinc/62/23/55/848622355.db2.gz VJKFCMWYXQGATR-GASCZTMLSA-N 2 2 278.400 0.924 20 0 CCADLP C[C@@H](C[NH2+]CCOC1CCC1)NC(=O)Cn1cc[nH+]c1 ZINC001275467090 848728675 /nfs/dbraw/zinc/72/86/75/848728675.db2.gz CIFQWCXGZCBYBT-LBPRGKRZSA-N 2 2 280.372 0.547 20 0 CCADLP C[C@H](NC(=O)CCc1c[nH+]cn1C)[C@H](C)[NH2+]CCCO ZINC001275553102 848760774 /nfs/dbraw/zinc/76/07/74/848760774.db2.gz MMUCVOIMCLUKCW-RYUDHWBXSA-N 2 2 282.388 0.218 20 0 CCADLP CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001275865902 848851646 /nfs/dbraw/zinc/85/16/46/848851646.db2.gz PZNWDJZKZYNRLP-NEPJUHHUSA-N 2 2 264.373 0.902 20 0 CCADLP CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001275865902 848851657 /nfs/dbraw/zinc/85/16/57/848851657.db2.gz PZNWDJZKZYNRLP-NEPJUHHUSA-N 2 2 264.373 0.902 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)CCCF ZINC001276010659 848889758 /nfs/dbraw/zinc/88/97/58/848889758.db2.gz IPUIJEGAOMOHHL-NSHDSACASA-N 2 2 256.325 0.679 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)CCCF ZINC001276010659 848889759 /nfs/dbraw/zinc/88/97/59/848889759.db2.gz IPUIJEGAOMOHHL-NSHDSACASA-N 2 2 256.325 0.679 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001042034370 850564308 /nfs/dbraw/zinc/56/43/08/850564308.db2.gz IURRZYQIWXWALK-OLZOCXBDSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001042034370 850564317 /nfs/dbraw/zinc/56/43/17/850564317.db2.gz IURRZYQIWXWALK-OLZOCXBDSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2CC[N@@H+](CCCO)[C@H]2C1 ZINC001042384211 850623353 /nfs/dbraw/zinc/62/33/53/850623353.db2.gz JVDOIJMJFKVKKO-KGLIPLIRSA-N 2 2 292.383 0.188 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2CC[N@H+](CCCO)[C@H]2C1 ZINC001042384211 850623357 /nfs/dbraw/zinc/62/33/57/850623357.db2.gz JVDOIJMJFKVKKO-KGLIPLIRSA-N 2 2 292.383 0.188 20 0 CCADLP CC[NH+]1CC(N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001042741797 850750048 /nfs/dbraw/zinc/75/00/48/850750048.db2.gz WIBPDBHNPIKAGV-UHFFFAOYSA-N 2 2 279.388 0.221 20 0 CCADLP CC[C@@H](C)C[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001043068171 850806842 /nfs/dbraw/zinc/80/68/42/850806842.db2.gz XOJFCEKMASNMKJ-UMVBOHGHSA-N 2 2 297.443 0.894 20 0 CCADLP CC[C@@H](C)C[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001043068171 850806845 /nfs/dbraw/zinc/80/68/45/850806845.db2.gz XOJFCEKMASNMKJ-UMVBOHGHSA-N 2 2 297.443 0.894 20 0 CCADLP CC(C)[NH+]1CC(N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001043124108 850818673 /nfs/dbraw/zinc/81/86/73/850818673.db2.gz NJDAEMDQNGYHAL-GFCCVEGCSA-N 2 2 276.384 0.997 20 0 CCADLP CC[NH+]1CC(N(C)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001043887640 850959912 /nfs/dbraw/zinc/95/99/12/850959912.db2.gz RAONXRJHEOFURF-GFCCVEGCSA-N 2 2 276.384 0.916 20 0 CCADLP CN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1C[NH+](CCO)C1 ZINC001044189095 851037560 /nfs/dbraw/zinc/03/75/60/851037560.db2.gz UFWNWGPLRUKUQU-CHWSQXEVSA-N 2 2 283.416 0.242 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2C[NH+](CCC3CC3)C2)C1 ZINC001044317876 851076105 /nfs/dbraw/zinc/07/61/05/851076105.db2.gz XGOTZTRUNZUJMQ-OAHLLOKOSA-N 2 2 295.427 0.650 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)C2C[NH+](CCC3CC3)C2)C1 ZINC001044317876 851076113 /nfs/dbraw/zinc/07/61/13/851076113.db2.gz XGOTZTRUNZUJMQ-OAHLLOKOSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCO)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001044628785 851134085 /nfs/dbraw/zinc/13/40/85/851134085.db2.gz YOFCKBMLFBSKHR-NWDGAFQWSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCO)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001044628785 851134089 /nfs/dbraw/zinc/13/40/89/851134089.db2.gz YOFCKBMLFBSKHR-NWDGAFQWSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCF)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001044805244 851161789 /nfs/dbraw/zinc/16/17/89/851161789.db2.gz GMSBDVCPOFTBFB-WDEREUQCSA-N 2 2 268.336 0.891 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]1C[NH2+]C[C@@H]1CCOC1 ZINC001045253662 851228117 /nfs/dbraw/zinc/22/81/17/851228117.db2.gz NVJWRHMZAZCJPZ-STQMWFEESA-N 2 2 292.383 0.569 20 0 CCADLP C[C@@]1(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC[N@H+](CCO)C1 ZINC001046427145 851496254 /nfs/dbraw/zinc/49/62/54/851496254.db2.gz WMNDNYHZHNJDKE-SWLSCSKDSA-N 2 2 292.383 0.018 20 0 CCADLP C[C@@]1(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC[N@@H+](CCO)C1 ZINC001046427145 851496262 /nfs/dbraw/zinc/49/62/62/851496262.db2.gz WMNDNYHZHNJDKE-SWLSCSKDSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCO)C2 ZINC001047170540 851677368 /nfs/dbraw/zinc/67/73/68/851677368.db2.gz FFEAHUFCZNUXLG-XQQFMLRXSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCO)C2 ZINC001047170540 851677372 /nfs/dbraw/zinc/67/73/72/851677372.db2.gz FFEAHUFCZNUXLG-XQQFMLRXSA-N 2 2 292.383 0.304 20 0 CCADLP CC[C@H](C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047646840 851843286 /nfs/dbraw/zinc/84/32/86/851843286.db2.gz MIWYCQMJYQGYFC-IHRRRGAJSA-N 2 2 294.399 0.433 20 0 CCADLP CC[C@H](C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047646840 851843291 /nfs/dbraw/zinc/84/32/91/851843291.db2.gz MIWYCQMJYQGYFC-IHRRRGAJSA-N 2 2 294.399 0.433 20 0 CCADLP CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001048017618 851882396 /nfs/dbraw/zinc/88/23/96/851882396.db2.gz CFYJCUFTALHPJO-GHMZBOCLSA-N 2 2 250.346 0.799 20 0 CCADLP CO[C@@H](C)C[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001049083777 852159033 /nfs/dbraw/zinc/15/90/33/852159033.db2.gz SAYSCCPSYFLZQI-RWMBFGLXSA-N 2 2 292.383 0.377 20 0 CCADLP CO[C@@H](C)C[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001049083777 852159036 /nfs/dbraw/zinc/15/90/36/852159036.db2.gz SAYSCCPSYFLZQI-RWMBFGLXSA-N 2 2 292.383 0.377 20 0 CCADLP CO[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052747792 852649145 /nfs/dbraw/zinc/64/91/45/852649145.db2.gz IKWAOPAZGDTVQY-CHWSQXEVSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@H](C)C[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052747792 852649147 /nfs/dbraw/zinc/64/91/47/852649147.db2.gz IKWAOPAZGDTVQY-CHWSQXEVSA-N 2 2 294.399 0.958 20 0 CCADLP CC[N@@H+]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001052823245 852659690 /nfs/dbraw/zinc/65/96/90/852659690.db2.gz DMDUNHKICOIAHX-LLVKDONJSA-N 2 2 250.346 0.943 20 0 CCADLP CC[N@H+]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001052823245 852659693 /nfs/dbraw/zinc/65/96/93/852659693.db2.gz DMDUNHKICOIAHX-LLVKDONJSA-N 2 2 250.346 0.943 20 0 CCADLP COC[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001052824643 852659880 /nfs/dbraw/zinc/65/98/80/852659880.db2.gz ZNZJGJRTWDDTJZ-QWHCGFSZSA-N 2 2 294.399 0.958 20 0 CCADLP COC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001052824643 852659883 /nfs/dbraw/zinc/65/98/83/852659883.db2.gz ZNZJGJRTWDDTJZ-QWHCGFSZSA-N 2 2 294.399 0.958 20 0 CCADLP COCC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001052868009 852665450 /nfs/dbraw/zinc/66/54/50/852665450.db2.gz QAKBFJYVLDDMIM-ZDUSSCGKSA-N 2 2 294.399 0.580 20 0 CCADLP COCC[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001052868009 852665453 /nfs/dbraw/zinc/66/54/53/852665453.db2.gz QAKBFJYVLDDMIM-ZDUSSCGKSA-N 2 2 294.399 0.580 20 0 CCADLP CCCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCC[N@@H+]1C)CCO2 ZINC001053189938 852705505 /nfs/dbraw/zinc/70/55/05/852705505.db2.gz GVYRFBMJMMFRSL-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP CCCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCC[N@H+]1C)CCO2 ZINC001053189938 852705509 /nfs/dbraw/zinc/70/55/09/852705509.db2.gz GVYRFBMJMMFRSL-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)CCO2 ZINC001053294213 852724455 /nfs/dbraw/zinc/72/44/55/852724455.db2.gz RNEWQIBHXVNHLE-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)CC[C@@H]1CCC[N@H+]1C)CCO2 ZINC001053294213 852724459 /nfs/dbraw/zinc/72/44/59/852724459.db2.gz RNEWQIBHXVNHLE-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)CCO2 ZINC001053393160 852737989 /nfs/dbraw/zinc/73/79/89/852737989.db2.gz DJVUDSIAEZAHAX-KBPBESRZSA-N 2 2 295.427 0.650 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)CCO2 ZINC001053393160 852738000 /nfs/dbraw/zinc/73/80/00/852738000.db2.gz DJVUDSIAEZAHAX-KBPBESRZSA-N 2 2 295.427 0.650 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)CCO2 ZINC001053429147 852742621 /nfs/dbraw/zinc/74/26/21/852742621.db2.gz HDGDNPUNAZDXQZ-CHWSQXEVSA-N 2 2 281.400 0.117 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)CCO2 ZINC001053429147 852742623 /nfs/dbraw/zinc/74/26/23/852742623.db2.gz HDGDNPUNAZDXQZ-CHWSQXEVSA-N 2 2 281.400 0.117 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)N2CCOC3(C[NH+](CCCF)C3)C2)C1 ZINC001053530845 852752394 /nfs/dbraw/zinc/75/23/94/852752394.db2.gz HXLXVTIGFFFJHF-ZDUSSCGKSA-N 2 2 299.390 0.211 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)N2CCOC3(C[NH+](CCCF)C3)C2)C1 ZINC001053530845 852752397 /nfs/dbraw/zinc/75/23/97/852752397.db2.gz HXLXVTIGFFFJHF-ZDUSSCGKSA-N 2 2 299.390 0.211 20 0 CCADLP CC[NH2+][C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001054950851 853042385 /nfs/dbraw/zinc/04/23/85/853042385.db2.gz GWAYGRYILKTKJU-RYUDHWBXSA-N 2 2 250.346 0.730 20 0 CCADLP COCC[NH+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001050681618 853412942 /nfs/dbraw/zinc/41/29/42/853412942.db2.gz NNGVJNJNWJQNMP-UHFFFAOYSA-N 2 2 292.383 0.523 20 0 CCADLP CC[NH2+]C[C@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCO1 ZINC001051861637 853652171 /nfs/dbraw/zinc/65/21/71/853652171.db2.gz KKCPDIQXXRIAAY-YPMHNXCESA-N 2 2 280.372 0.425 20 0 CCADLP CC[NH2+]C[C@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCO1 ZINC001051861637 853652172 /nfs/dbraw/zinc/65/21/72/853652172.db2.gz KKCPDIQXXRIAAY-YPMHNXCESA-N 2 2 280.372 0.425 20 0 CCADLP Cc1nc(N2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc[nH+]1 ZINC001058373510 853835075 /nfs/dbraw/zinc/83/50/75/853835075.db2.gz KGLOQTHZYREFHP-CHWSQXEVSA-N 2 2 289.383 0.432 20 0 CCADLP Cc1nc(N2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc[nH+]1 ZINC001058373510 853835081 /nfs/dbraw/zinc/83/50/81/853835081.db2.gz KGLOQTHZYREFHP-CHWSQXEVSA-N 2 2 289.383 0.432 20 0 CCADLP CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)C[C@@H](C)O2 ZINC001071216623 854137360 /nfs/dbraw/zinc/13/73/60/854137360.db2.gz SZZVUNWONGIBMY-IUODEOHRSA-N 2 2 292.383 0.664 20 0 CCADLP CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)C[C@@H](C)O2 ZINC001071216623 854137362 /nfs/dbraw/zinc/13/73/62/854137362.db2.gz SZZVUNWONGIBMY-IUODEOHRSA-N 2 2 292.383 0.664 20 0 CCADLP CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cc[nH+]c1)C[C@@H](C)O2 ZINC001071248786 854141277 /nfs/dbraw/zinc/14/12/77/854141277.db2.gz SSUNPZVTYLTIJQ-UKRRQHHQSA-N 2 2 292.383 0.595 20 0 CCADLP CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cn1cc[nH+]c1)C[C@@H](C)O2 ZINC001071248786 854141280 /nfs/dbraw/zinc/14/12/80/854141280.db2.gz SSUNPZVTYLTIJQ-UKRRQHHQSA-N 2 2 292.383 0.595 20 0 CCADLP COCC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[C@@H]1C ZINC001071989514 854331945 /nfs/dbraw/zinc/33/19/45/854331945.db2.gz PYJWWOZPYQQLST-STQMWFEESA-N 2 2 294.399 0.578 20 0 CCADLP COCC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[C@@H]1C ZINC001071989514 854331948 /nfs/dbraw/zinc/33/19/48/854331948.db2.gz PYJWWOZPYQQLST-STQMWFEESA-N 2 2 294.399 0.578 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CC2(C1)CC[N@@H+](CCCO)C2 ZINC001072803662 854466020 /nfs/dbraw/zinc/46/60/20/854466020.db2.gz DAPDVBZJWAIFQJ-UHFFFAOYSA-N 2 2 292.383 0.259 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CC2(C1)CC[N@H+](CCCO)C2 ZINC001072803662 854466025 /nfs/dbraw/zinc/46/60/25/854466025.db2.gz DAPDVBZJWAIFQJ-UHFFFAOYSA-N 2 2 292.383 0.259 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CC2(C1)CC[N@@H+](CCCO)C2 ZINC001072803662 854466029 /nfs/dbraw/zinc/46/60/29/854466029.db2.gz DAPDVBZJWAIFQJ-UHFFFAOYSA-N 2 2 292.383 0.259 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CC2(C1)CC[N@H+](CCCO)C2 ZINC001072803662 854466034 /nfs/dbraw/zinc/46/60/34/854466034.db2.gz DAPDVBZJWAIFQJ-UHFFFAOYSA-N 2 2 292.383 0.259 20 0 CCADLP C[C@@H](CC(=O)N1CC2(C1)CC[N@H+](CCO)C2)n1cc[nH+]c1 ZINC001073021964 854517502 /nfs/dbraw/zinc/51/75/02/854517502.db2.gz VDHJFYAAOQYSRD-ZDUSSCGKSA-N 2 2 292.383 0.361 20 0 CCADLP C[C@@H](CC(=O)N1CC2(C1)CC[N@@H+](CCO)C2)n1cc[nH+]c1 ZINC001073021964 854517504 /nfs/dbraw/zinc/51/75/04/854517504.db2.gz VDHJFYAAOQYSRD-ZDUSSCGKSA-N 2 2 292.383 0.361 20 0 CCADLP CC(C)(C(=O)N1CC2(C1)CC[N@H+](CCO)C2)c1c[nH+]c[nH]1 ZINC001073129293 854535369 /nfs/dbraw/zinc/53/53/69/854535369.db2.gz QHVKJYNTGDTOQJ-UHFFFAOYSA-N 2 2 292.383 0.214 20 0 CCADLP CC(C)(C(=O)N1CC2(C1)CC[N@@H+](CCO)C2)c1c[nH+]c[nH]1 ZINC001073129293 854535370 /nfs/dbraw/zinc/53/53/70/854535370.db2.gz QHVKJYNTGDTOQJ-UHFFFAOYSA-N 2 2 292.383 0.214 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001074719644 854770422 /nfs/dbraw/zinc/77/04/22/854770422.db2.gz XJLCLSQKDMISPN-SCRDCRAPSA-N 2 2 292.383 0.017 20 0 CCADLP CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001099121452 854916340 /nfs/dbraw/zinc/91/63/40/854916340.db2.gz ZPJLFLFYTOSZAJ-WFASDCNBSA-N 2 2 276.384 0.953 20 0 CCADLP CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001099121452 854916343 /nfs/dbraw/zinc/91/63/43/854916343.db2.gz ZPJLFLFYTOSZAJ-WFASDCNBSA-N 2 2 276.384 0.953 20 0 CCADLP Cc1nc(N(C)CCNC(=O)C2([NH+](C)C)CCC2)cc[nH+]1 ZINC001100195742 855116292 /nfs/dbraw/zinc/11/62/92/855116292.db2.gz FTRFKBKBKZMIFH-UHFFFAOYSA-N 2 2 291.399 0.822 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001101926981 855392323 /nfs/dbraw/zinc/39/23/23/855392323.db2.gz TVAKXTBKIXIBJZ-FRRDWIJNSA-N 2 2 294.399 0.407 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001101926981 855392324 /nfs/dbraw/zinc/39/23/24/855392324.db2.gz TVAKXTBKIXIBJZ-FRRDWIJNSA-N 2 2 294.399 0.407 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001103472493 855519507 /nfs/dbraw/zinc/51/95/07/855519507.db2.gz WENBXCNFOMXHDE-FRRDWIJNSA-N 2 2 294.399 0.407 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001103472493 855519508 /nfs/dbraw/zinc/51/95/08/855519508.db2.gz WENBXCNFOMXHDE-FRRDWIJNSA-N 2 2 294.399 0.407 20 0 CCADLP C[C@@H]1C[N@H+](CCO)C[C@H]1CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001103473869 855520403 /nfs/dbraw/zinc/52/04/03/855520403.db2.gz XLUCWZKTWRAQGA-VXGBXAGGSA-N 2 2 280.372 0.019 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)C[C@H]1CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001103473869 855520407 /nfs/dbraw/zinc/52/04/07/855520407.db2.gz XLUCWZKTWRAQGA-VXGBXAGGSA-N 2 2 280.372 0.019 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001103574353 855524226 /nfs/dbraw/zinc/52/42/26/855524226.db2.gz LNSDTXWMNKIQHQ-JHJVBQTASA-N 2 2 294.399 0.407 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001103574353 855524228 /nfs/dbraw/zinc/52/42/28/855524228.db2.gz LNSDTXWMNKIQHQ-JHJVBQTASA-N 2 2 294.399 0.407 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccon3)C[C@H]21 ZINC001115158994 855648055 /nfs/dbraw/zinc/64/80/55/855648055.db2.gz BDAVPGPJKYCKCG-NHAGDIPZSA-N 2 2 292.383 0.563 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccon3)C[C@H]21 ZINC001115158994 855648057 /nfs/dbraw/zinc/64/80/57/855648057.db2.gz BDAVPGPJKYCKCG-NHAGDIPZSA-N 2 2 292.383 0.563 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001115158994 855648059 /nfs/dbraw/zinc/64/80/59/855648059.db2.gz BDAVPGPJKYCKCG-NHAGDIPZSA-N 2 2 292.383 0.563 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001115158994 855648064 /nfs/dbraw/zinc/64/80/64/855648064.db2.gz BDAVPGPJKYCKCG-NHAGDIPZSA-N 2 2 292.383 0.563 20 0 CCADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cnnn1C ZINC001116901070 855861488 /nfs/dbraw/zinc/86/14/88/855861488.db2.gz WWCNMEYNXNYFII-UHFFFAOYSA-N 2 2 283.295 0.957 20 0 CCADLP C[C@H](C(=O)N(C)C[C@H]1CCC[N@@H+]1C)n1cc[nH+]c1 ZINC001117996885 856132390 /nfs/dbraw/zinc/13/23/90/856132390.db2.gz HCFDNQOIZRPNAN-VXGBXAGGSA-N 2 2 250.346 0.997 20 0 CCADLP C[C@H](C(=O)N(C)C[C@H]1CCC[N@H+]1C)n1cc[nH+]c1 ZINC001117996885 856132394 /nfs/dbraw/zinc/13/23/94/856132394.db2.gz HCFDNQOIZRPNAN-VXGBXAGGSA-N 2 2 250.346 0.997 20 0 CCADLP C[C@@H]([NH3+])C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001118130933 856170418 /nfs/dbraw/zinc/17/04/18/856170418.db2.gz OOFBCYUKQPGPHH-LLVKDONJSA-N 3 2 268.405 0.008 20 0 CCADLP Cc1cc(NC(=O)NC[C@H]2COCC[NH2+]2)cc(C)[nH+]1 ZINC001118902599 856484132 /nfs/dbraw/zinc/48/41/32/856484132.db2.gz MQZPBLPSULMXSL-LBPRGKRZSA-N 2 2 264.329 0.230 20 0 CCADLP Cc1cc(NC(=O)NC[C@@H]2COCC[NH2+]2)cc(C)[nH+]1 ZINC001118902597 856484285 /nfs/dbraw/zinc/48/42/85/856484285.db2.gz MQZPBLPSULMXSL-GFCCVEGCSA-N 2 2 264.329 0.230 20 0 CCADLP [NH3+]C[C@]12CC[C@H]1CCN2C(=O)NCCn1cc[nH+]c1 ZINC001120474338 857083854 /nfs/dbraw/zinc/08/38/54/857083854.db2.gz HDDIYBCTLKWQJG-WCQYABFASA-N 2 2 263.345 0.406 20 0 CCADLP CCOCC[N@@H+]1CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001323340817 912280125 /nfs/dbraw/zinc/28/01/25/912280125.db2.gz QJQUREHFEVSAQE-LBPRGKRZSA-N 2 2 280.372 0.488 20 0 CCADLP CCOCC[N@H+]1CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001323340817 912280144 /nfs/dbraw/zinc/28/01/44/912280144.db2.gz QJQUREHFEVSAQE-LBPRGKRZSA-N 2 2 280.372 0.488 20 0 CCADLP CC[NH+](CC)C[C@H](F)C(=O)N(C)C1C[NH+](C[C@H](C)O)C1 ZINC001393005629 912320845 /nfs/dbraw/zinc/32/08/45/912320845.db2.gz OPNRASKXKVEWQH-AAEUAGOBSA-N 2 2 289.395 0.190 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001393054452 912362082 /nfs/dbraw/zinc/36/20/82/912362082.db2.gz LOGHHLPPRMZCQU-RYUDHWBXSA-N 2 2 280.372 0.568 20 0 CCADLP C[C@@]1(CNC(=O)CCc2c[nH]c[nH+]2)CCC[N@H+](CCO)C1 ZINC001393197946 912435431 /nfs/dbraw/zinc/43/54/31/912435431.db2.gz BGYQHGPCCUQJAA-HNNXBMFYSA-N 2 2 294.399 0.553 20 0 CCADLP C[C@@]1(CNC(=O)CCc2c[nH]c[nH+]2)CCC[N@@H+](CCO)C1 ZINC001393197946 912435444 /nfs/dbraw/zinc/43/54/44/912435444.db2.gz BGYQHGPCCUQJAA-HNNXBMFYSA-N 2 2 294.399 0.553 20 0 CCADLP C[C@@]1(CNC(=O)CCc2c[nH+]c[nH]2)CCC[N@H+](CCO)C1 ZINC001393197946 912435453 /nfs/dbraw/zinc/43/54/53/912435453.db2.gz BGYQHGPCCUQJAA-HNNXBMFYSA-N 2 2 294.399 0.553 20 0 CCADLP C[C@@]1(CNC(=O)CCc2c[nH+]c[nH]2)CCC[N@@H+](CCO)C1 ZINC001393197946 912435468 /nfs/dbraw/zinc/43/54/68/912435468.db2.gz BGYQHGPCCUQJAA-HNNXBMFYSA-N 2 2 294.399 0.553 20 0 CCADLP CC[C@H](C(=O)NCC1(O)C[NH+](CC[C@H](C)F)C1)[NH+](C)C ZINC001393362169 912532688 /nfs/dbraw/zinc/53/26/88/912532688.db2.gz UUXUPNTXKNOTAD-NWDGAFQWSA-N 2 2 289.395 0.238 20 0 CCADLP CC[NH+]1CC(O)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001393358750 912533351 /nfs/dbraw/zinc/53/33/51/912533351.db2.gz MCVXSEIZCPIONM-CQSZACIVSA-N 2 2 297.443 0.680 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[N@H+](CCO)CC1 ZINC001393601727 912671996 /nfs/dbraw/zinc/67/19/96/912671996.db2.gz HFTXJSLDQLPLAK-QWHCGFSZSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[N@@H+](CCO)CC1 ZINC001393601727 912672006 /nfs/dbraw/zinc/67/20/06/912672006.db2.gz HFTXJSLDQLPLAK-QWHCGFSZSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[N@H+](CCO)CC1 ZINC001393601727 912672012 /nfs/dbraw/zinc/67/20/12/912672012.db2.gz HFTXJSLDQLPLAK-QWHCGFSZSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[N@@H+](CCO)CC1 ZINC001393601727 912672024 /nfs/dbraw/zinc/67/20/24/912672024.db2.gz HFTXJSLDQLPLAK-QWHCGFSZSA-N 2 2 294.399 0.551 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)N[C@H]2C=CCC2)CC1 ZINC001336932110 921113078 /nfs/dbraw/zinc/11/30/78/921113078.db2.gz DAAJNAZBXZYDQE-LBPRGKRZSA-N 2 2 252.362 0.427 20 0 CCADLP CC(C)[C@H](CCN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]CCO ZINC001394185879 913062070 /nfs/dbraw/zinc/06/20/70/913062070.db2.gz HLLIFDWDTAGOPC-LBPRGKRZSA-N 2 2 282.388 0.407 20 0 CCADLP CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1)[NH+](CC)CC ZINC001394257114 913103185 /nfs/dbraw/zinc/10/31/85/913103185.db2.gz YTSDPIXDYHDLQZ-AAEUAGOBSA-N 2 2 298.431 0.029 20 0 CCADLP COCC[NH+]1CC([C@@H](C)NC(=O)CCCn2cc[nH+]c2)C1 ZINC001394264158 913105454 /nfs/dbraw/zinc/10/54/54/913105454.db2.gz BEQDWZPMXOZDNI-CYBMUJFWSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@H](CN(C)C(=O)CCc1c[nH+]cn1C)[NH2+]CCF ZINC001394556084 913255474 /nfs/dbraw/zinc/25/54/74/913255474.db2.gz NGFZCRCGMJGRMF-LLVKDONJSA-N 2 2 270.352 0.759 20 0 CCADLP CC(C)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001394599836 913303836 /nfs/dbraw/zinc/30/38/36/913303836.db2.gz BTEARASQQDETQS-STQMWFEESA-N 2 2 294.399 0.168 20 0 CCADLP CC(C)OCC[N@H+](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001480927620 891848695 /nfs/dbraw/zinc/84/86/95/891848695.db2.gz NEZDDTICZUJUHW-UHFFFAOYSA-N 2 2 268.361 0.425 20 0 CCADLP CC(C)OCC[N@@H+](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001480927620 891848702 /nfs/dbraw/zinc/84/87/02/891848702.db2.gz NEZDDTICZUJUHW-UHFFFAOYSA-N 2 2 268.361 0.425 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC001353201301 892292018 /nfs/dbraw/zinc/29/20/18/892292018.db2.gz OVUSWXJNZRUKTO-QJPTWQEYSA-N 2 2 262.357 0.721 20 0 CCADLP CN(CC[NH2+]Cc1csnn1)C(=O)C[N@H+](C)C1CCC1 ZINC001481240512 892418189 /nfs/dbraw/zinc/41/81/89/892418189.db2.gz MWAMXAVOGYYJQO-UHFFFAOYSA-N 2 2 297.428 0.570 20 0 CCADLP CN(CC[NH2+]Cc1csnn1)C(=O)C[N@@H+](C)C1CCC1 ZINC001481240512 892418195 /nfs/dbraw/zinc/41/81/95/892418195.db2.gz MWAMXAVOGYYJQO-UHFFFAOYSA-N 2 2 297.428 0.570 20 0 CCADLP CN(CC[NH2+]C/C=C/Cl)C(=O)Cc1c[nH+]cn1C ZINC001481304348 892554775 /nfs/dbraw/zinc/55/47/75/892554775.db2.gz QSIQEQXHORDXTA-ONEGZZNKSA-N 2 2 270.764 0.763 20 0 CCADLP C[N@H+](CCO)CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001481514707 892763490 /nfs/dbraw/zinc/76/34/90/892763490.db2.gz LBMCUHASZLMKAX-UHFFFAOYSA-N 2 2 294.399 0.505 20 0 CCADLP C[N@@H+](CCO)CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001481514707 892763501 /nfs/dbraw/zinc/76/35/01/892763501.db2.gz LBMCUHASZLMKAX-UHFFFAOYSA-N 2 2 294.399 0.505 20 0 CCADLP C[N@H+](CCO)CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001481514707 892763509 /nfs/dbraw/zinc/76/35/09/892763509.db2.gz LBMCUHASZLMKAX-UHFFFAOYSA-N 2 2 294.399 0.505 20 0 CCADLP C[N@@H+](CCO)CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001481514707 892763522 /nfs/dbraw/zinc/76/35/22/892763522.db2.gz LBMCUHASZLMKAX-UHFFFAOYSA-N 2 2 294.399 0.505 20 0 CCADLP COCCC[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001481526580 892773858 /nfs/dbraw/zinc/77/38/58/892773858.db2.gz OPBPIQHKVYQMHD-CQSZACIVSA-N 2 2 294.399 0.959 20 0 CCADLP COCCC[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001481526580 892773868 /nfs/dbraw/zinc/77/38/68/892773868.db2.gz OPBPIQHKVYQMHD-CQSZACIVSA-N 2 2 294.399 0.959 20 0 CCADLP COCCC[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001481526580 892773876 /nfs/dbraw/zinc/77/38/76/892773876.db2.gz OPBPIQHKVYQMHD-CQSZACIVSA-N 2 2 294.399 0.959 20 0 CCADLP COCCC[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001481526580 892773885 /nfs/dbraw/zinc/77/38/85/892773885.db2.gz OPBPIQHKVYQMHD-CQSZACIVSA-N 2 2 294.399 0.959 20 0 CCADLP C[NH+](C)CCC(=O)NC1C[NH+](CCOCC2CCC2)C1 ZINC001481581043 892862101 /nfs/dbraw/zinc/86/21/01/892862101.db2.gz LNYIWEKDEKCXQS-UHFFFAOYSA-N 2 2 283.416 0.555 20 0 CCADLP COCC[NH+]1CC(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001481589445 892874905 /nfs/dbraw/zinc/87/49/05/892874905.db2.gz VDLISDMYAWZRGN-UHFFFAOYSA-N 2 2 280.372 0.419 20 0 CCADLP CCOCC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001481753964 893113922 /nfs/dbraw/zinc/11/39/22/893113922.db2.gz FVHPTYXOLWSLRS-CYBMUJFWSA-N 2 2 280.372 0.452 20 0 CCADLP CCOCC[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001481753964 893113927 /nfs/dbraw/zinc/11/39/27/893113927.db2.gz FVHPTYXOLWSLRS-CYBMUJFWSA-N 2 2 280.372 0.452 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1cccnc1 ZINC001482175111 893460484 /nfs/dbraw/zinc/46/04/84/893460484.db2.gz KSUSZKLBVNZPFU-CYBMUJFWSA-N 2 2 287.367 0.820 20 0 CCADLP CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001284446574 893564187 /nfs/dbraw/zinc/56/41/87/893564187.db2.gz KVDNOKSIVCDTLS-YPMHNXCESA-N 2 2 282.388 0.407 20 0 CCADLP CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001284446574 893564201 /nfs/dbraw/zinc/56/42/01/893564201.db2.gz KVDNOKSIVCDTLS-YPMHNXCESA-N 2 2 282.388 0.407 20 0 CCADLP C[C@H]1C[N@H+](CCO)CCN1Cc1ncc(C[NH+](C)C)s1 ZINC001363912266 893852218 /nfs/dbraw/zinc/85/22/18/893852218.db2.gz XOUXRUZAQXHARG-LBPRGKRZSA-N 2 2 298.456 0.703 20 0 CCADLP C[C@H]1C[N@@H+](CCO)CCN1Cc1ncc(C[NH+](C)C)s1 ZINC001363912266 893852234 /nfs/dbraw/zinc/85/22/34/893852234.db2.gz XOUXRUZAQXHARG-LBPRGKRZSA-N 2 2 298.456 0.703 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N(C)CC[N@H+](C)CCF ZINC001496742876 894232518 /nfs/dbraw/zinc/23/25/18/894232518.db2.gz RHOQLPWBGODDCS-UHFFFAOYSA-N 2 2 256.325 0.551 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N(C)CC[N@@H+](C)CCF ZINC001496742876 894232533 /nfs/dbraw/zinc/23/25/33/894232533.db2.gz RHOQLPWBGODDCS-UHFFFAOYSA-N 2 2 256.325 0.551 20 0 CCADLP C[C@@H](CC[NH2+]CCF)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001482845244 894645399 /nfs/dbraw/zinc/64/53/99/894645399.db2.gz JZXQELAMOKFDME-RYUDHWBXSA-N 2 2 282.363 0.899 20 0 CCADLP C[C@@H](CC[NH2+]Cc1cnn(C)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001482883445 894664550 /nfs/dbraw/zinc/66/45/50/894664550.db2.gz CMZWAHVLKDNWKC-NSHDSACASA-N 2 2 290.371 0.370 20 0 CCADLP CCN(CC[NH2+]CC[C@@H]1CCCO1)C(=O)Cc1c[nH+]c[nH]1 ZINC001482952417 894722289 /nfs/dbraw/zinc/72/22/89/894722289.db2.gz JSMMDVLPLYLGAP-AWEZNQCLSA-N 2 2 294.399 0.959 20 0 CCADLP CCN(CC[NH2+]C[C@H]1CCCCO1)C(=O)Cn1cc[nH+]c1 ZINC001482972393 894738072 /nfs/dbraw/zinc/73/80/72/894738072.db2.gz XOJCFSWKADPGBB-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP CC(C)OCC[NH2+]C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001483179242 895062671 /nfs/dbraw/zinc/06/26/71/895062671.db2.gz VKGVVVNFUJDEIA-LLVKDONJSA-N 2 2 268.361 0.472 20 0 CCADLP C[C@H](C[NH2+]C[C@H]1CCCCO1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001483179357 895065762 /nfs/dbraw/zinc/06/57/62/895065762.db2.gz ZLDNEEVKBONSNM-VXGBXAGGSA-N 2 2 280.372 0.616 20 0 CCADLP Cc1ncccc1C[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001483199362 895086754 /nfs/dbraw/zinc/08/67/54/895086754.db2.gz DYMQAUVPXKXUDS-GFCCVEGCSA-N 2 2 287.367 0.881 20 0 CCADLP CC[N@H+](C)C[C@H](O)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001426096457 895220386 /nfs/dbraw/zinc/22/03/86/895220386.db2.gz DNXXDPHGUAUCNZ-STQMWFEESA-N 2 2 282.388 0.605 20 0 CCADLP CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001426096457 895220402 /nfs/dbraw/zinc/22/04/02/895220402.db2.gz DNXXDPHGUAUCNZ-STQMWFEESA-N 2 2 282.388 0.605 20 0 CCADLP CO[C@H](C)C[N@H+](C)[C@@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001409644391 895301944 /nfs/dbraw/zinc/30/19/44/895301944.db2.gz VPDQYORRPDUCDC-QWHCGFSZSA-N 2 2 296.415 0.824 20 0 CCADLP CO[C@H](C)C[N@@H+](C)[C@@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001409644391 895301953 /nfs/dbraw/zinc/30/19/53/895301953.db2.gz VPDQYORRPDUCDC-QWHCGFSZSA-N 2 2 296.415 0.824 20 0 CCADLP Cc1conc1C[N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001483382230 895524619 /nfs/dbraw/zinc/52/46/19/895524619.db2.gz SUZBMEQXHOIGMU-LBPRGKRZSA-N 2 2 282.388 0.871 20 0 CCADLP Cc1conc1C[N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001483382230 895524629 /nfs/dbraw/zinc/52/46/29/895524629.db2.gz SUZBMEQXHOIGMU-LBPRGKRZSA-N 2 2 282.388 0.871 20 0 CCADLP CO[C@@H](C)C[N@H+](C)C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001483415922 895550352 /nfs/dbraw/zinc/55/03/52/895550352.db2.gz RLFHWACLTIYLPC-OLZOCXBDSA-N 2 2 296.415 0.824 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001483415922 895550360 /nfs/dbraw/zinc/55/03/60/895550360.db2.gz RLFHWACLTIYLPC-OLZOCXBDSA-N 2 2 296.415 0.824 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CC[N@H+]1CCCF ZINC001483669425 895824025 /nfs/dbraw/zinc/82/40/25/895824025.db2.gz VSOFMASFGNCDIO-LBPRGKRZSA-N 2 2 268.336 0.823 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CC[N@@H+]1CCCF ZINC001483669425 895824029 /nfs/dbraw/zinc/82/40/29/895824029.db2.gz VSOFMASFGNCDIO-LBPRGKRZSA-N 2 2 268.336 0.823 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC1([NH2+]CCF)CC1 ZINC001483755221 896008095 /nfs/dbraw/zinc/00/80/95/896008095.db2.gz RGYPTDRUNNJSDG-UHFFFAOYSA-N 2 2 268.336 0.561 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC1([NH2+]CC2CCOCC2)CC1 ZINC001483770876 896036963 /nfs/dbraw/zinc/03/69/63/896036963.db2.gz IWHGRDCHAZUWIP-UHFFFAOYSA-N 2 2 292.383 0.617 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC001483903687 896106810 /nfs/dbraw/zinc/10/68/10/896106810.db2.gz AEYLJQSRQQDKRL-QWHCGFSZSA-N 2 2 294.399 0.958 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC001483903687 896106812 /nfs/dbraw/zinc/10/68/12/896106812.db2.gz AEYLJQSRQQDKRL-QWHCGFSZSA-N 2 2 294.399 0.958 20 0 CCADLP CCOCC[NH2+]C[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001483932648 896123166 /nfs/dbraw/zinc/12/31/66/896123166.db2.gz MHAQNDPGMARIHP-AWEZNQCLSA-N 2 2 294.399 0.959 20 0 CCADLP CCOCC[NH2+]C[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001483932648 896123169 /nfs/dbraw/zinc/12/31/69/896123169.db2.gz MHAQNDPGMARIHP-AWEZNQCLSA-N 2 2 294.399 0.959 20 0 CCADLP CC(C)[NH+]1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001484280411 896315406 /nfs/dbraw/zinc/31/54/06/896315406.db2.gz WIAYQSLHMHWERE-GFCCVEGCSA-N 2 2 269.389 0.042 20 0 CCADLP CC(C)[NH+]1CC(O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001484280411 896315417 /nfs/dbraw/zinc/31/54/17/896315417.db2.gz WIAYQSLHMHWERE-GFCCVEGCSA-N 2 2 269.389 0.042 20 0 CCADLP O=C(NC1CC(C[NH2+]CCCO)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001485094703 896776079 /nfs/dbraw/zinc/77/60/79/896776079.db2.gz TXFJKDKXOZCZAS-FIYWTHMPSA-N 2 2 292.383 0.380 20 0 CCADLP O=C(NC1CC(C[NH2+]CCCO)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001485094703 896776084 /nfs/dbraw/zinc/77/60/84/896776084.db2.gz TXFJKDKXOZCZAS-FIYWTHMPSA-N 2 2 292.383 0.380 20 0 CCADLP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1csnn1 ZINC001485206168 896862996 /nfs/dbraw/zinc/86/29/96/896862996.db2.gz HPDIVYYREDQRKC-QWRGUYRKSA-N 2 2 299.444 0.863 20 0 CCADLP CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1csnn1 ZINC001485206168 896863004 /nfs/dbraw/zinc/86/30/04/896863004.db2.gz HPDIVYYREDQRKC-QWRGUYRKSA-N 2 2 299.444 0.863 20 0 CCADLP COCCC[N@H+](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001485765317 897230606 /nfs/dbraw/zinc/23/06/06/897230606.db2.gz PSJJORXUEQPWFG-UHFFFAOYSA-N 2 2 294.399 0.912 20 0 CCADLP COCCC[N@@H+](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001485765317 897230621 /nfs/dbraw/zinc/23/06/21/897230621.db2.gz PSJJORXUEQPWFG-UHFFFAOYSA-N 2 2 294.399 0.912 20 0 CCADLP Cc1nc(NC[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)cc[nH+]1 ZINC001107847274 897346648 /nfs/dbraw/zinc/34/66/48/897346648.db2.gz ZFWPKLHLFLBLJQ-LLVKDONJSA-N 2 2 289.383 0.797 20 0 CCADLP CO[C@@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1[nH]cc[nH+]1 ZINC001032379517 897368928 /nfs/dbraw/zinc/36/89/28/897368928.db2.gz UJNWGCHVXMVPMR-AVGNSLFASA-N 2 2 292.383 0.662 20 0 CCADLP CO[C@@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1[nH]cc[nH+]1 ZINC001032379517 897368934 /nfs/dbraw/zinc/36/89/34/897368934.db2.gz UJNWGCHVXMVPMR-AVGNSLFASA-N 2 2 292.383 0.662 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N(C)[C@H]2CC[NH+]3CCO[C@H]2C3)CC[N@@H+]1C ZINC000925340987 897413178 /nfs/dbraw/zinc/41/31/78/897413178.db2.gz LOICDZVCCHBTDB-MQYQWHSLSA-N 2 2 296.415 0.194 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N(C)[C@H]2CC[NH+]3CCO[C@H]2C3)CC[N@H+]1C ZINC000925340987 897413183 /nfs/dbraw/zinc/41/31/83/897413183.db2.gz LOICDZVCCHBTDB-MQYQWHSLSA-N 2 2 296.415 0.194 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N(C)[C@H]2CC[N@@H+]3CCO[C@H]2C3)CC[NH+]1C ZINC000925340987 897413186 /nfs/dbraw/zinc/41/31/86/897413186.db2.gz LOICDZVCCHBTDB-MQYQWHSLSA-N 2 2 296.415 0.194 20 0 CCADLP C[C@@H](F)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC001032651608 897900724 /nfs/dbraw/zinc/90/07/24/897900724.db2.gz DHKDCIALRCDXTK-WXHSDQCUSA-N 2 2 280.347 0.985 20 0 CCADLP C[C@@H](F)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC001032651608 897900732 /nfs/dbraw/zinc/90/07/32/897900732.db2.gz DHKDCIALRCDXTK-WXHSDQCUSA-N 2 2 280.347 0.985 20 0 CCADLP CC(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]cn1C ZINC001032732494 898024131 /nfs/dbraw/zinc/02/41/31/898024131.db2.gz DJDNHGNBLHOUFQ-KBPBESRZSA-N 2 2 276.384 0.904 20 0 CCADLP CC(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]cn1C ZINC001032732494 898024144 /nfs/dbraw/zinc/02/41/44/898024144.db2.gz DJDNHGNBLHOUFQ-KBPBESRZSA-N 2 2 276.384 0.904 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC1 ZINC001032753027 898084753 /nfs/dbraw/zinc/08/47/53/898084753.db2.gz BCRBNOGJFCMWFM-STQMWFEESA-N 2 2 274.368 0.956 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CC1 ZINC001032753027 898084758 /nfs/dbraw/zinc/08/47/58/898084758.db2.gz BCRBNOGJFCMWFM-STQMWFEESA-N 2 2 274.368 0.956 20 0 CCADLP CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1[nH]c[nH+]c1C ZINC001032754257 898092413 /nfs/dbraw/zinc/09/24/13/898092413.db2.gz DTSCSRDIXCDROR-RYUDHWBXSA-N 2 2 262.357 0.956 20 0 CCADLP CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1[nH]c[nH+]c1C ZINC001032754257 898092424 /nfs/dbraw/zinc/09/24/24/898092424.db2.gz DTSCSRDIXCDROR-RYUDHWBXSA-N 2 2 262.357 0.956 20 0 CCADLP CC[NH2+]C[C@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCCO1 ZINC001078484366 898389475 /nfs/dbraw/zinc/38/94/75/898389475.db2.gz HIWCGXBMFBQJNJ-JSGCOSHPSA-N 2 2 294.399 0.815 20 0 CCADLP CC[NH2+]C[C@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCCO1 ZINC001078484366 898389486 /nfs/dbraw/zinc/38/94/86/898389486.db2.gz HIWCGXBMFBQJNJ-JSGCOSHPSA-N 2 2 294.399 0.815 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1csnn1 ZINC001485961921 898563601 /nfs/dbraw/zinc/56/36/01/898563601.db2.gz VCQKEQMYCZSSKL-LLVKDONJSA-N 2 2 299.444 0.815 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1csnn1 ZINC001485961921 898563616 /nfs/dbraw/zinc/56/36/16/898563616.db2.gz VCQKEQMYCZSSKL-LLVKDONJSA-N 2 2 299.444 0.815 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](O)C[NH2+]CCCF ZINC001486314602 898773517 /nfs/dbraw/zinc/77/35/17/898773517.db2.gz OHCHJZBSAIWZTM-NSHDSACASA-N 2 2 286.351 0.029 20 0 CCADLP CC(C)N(CC[N@@H+](C)C[C@H](C)O)C(=O)CCn1cc[nH+]c1 ZINC001486372691 898838974 /nfs/dbraw/zinc/83/89/74/898838974.db2.gz GXGVPOBUZYOTED-AWEZNQCLSA-N 2 2 296.415 0.823 20 0 CCADLP CC(C)N(CC[N@H+](C)C[C@H](C)O)C(=O)CCn1cc[nH+]c1 ZINC001486372691 898838987 /nfs/dbraw/zinc/83/89/87/898838987.db2.gz GXGVPOBUZYOTED-AWEZNQCLSA-N 2 2 296.415 0.823 20 0 CCADLP CC(C)N(CC[N@H+](C)CCCO)C(=O)Cc1c[nH+]cn1C ZINC001486379367 898845609 /nfs/dbraw/zinc/84/56/09/898845609.db2.gz YNIMSMRXYCGATL-UHFFFAOYSA-N 2 2 296.415 0.514 20 0 CCADLP CC(C)N(CC[N@@H+](C)CCCO)C(=O)Cc1c[nH+]cn1C ZINC001486379367 898845622 /nfs/dbraw/zinc/84/56/22/898845622.db2.gz YNIMSMRXYCGATL-UHFFFAOYSA-N 2 2 296.415 0.514 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C(C)(C)C ZINC001486422689 898858277 /nfs/dbraw/zinc/85/82/77/898858277.db2.gz LYDZRMJFYVZYFR-NWDGAFQWSA-N 2 2 282.388 0.384 20 0 CCADLP Cc1noc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001410491330 899437514 /nfs/dbraw/zinc/43/75/14/899437514.db2.gz KKFHTGHPTWKFIN-ZYHUDNBSSA-N 2 2 295.387 0.266 20 0 CCADLP Cc1noc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001410491330 899437521 /nfs/dbraw/zinc/43/75/21/899437521.db2.gz KKFHTGHPTWKFIN-ZYHUDNBSSA-N 2 2 295.387 0.266 20 0 CCADLP Cc1cc(C)n(CC[NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001134397833 899833029 /nfs/dbraw/zinc/83/30/29/899833029.db2.gz VNKSDPHWCVFVNU-UHFFFAOYSA-N 2 2 290.371 0.172 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CCO[C@H]1CC1(F)F ZINC001134397933 899834944 /nfs/dbraw/zinc/83/49/44/899834944.db2.gz ZGLCOAMBUUQAMY-JTQLQIEISA-N 2 2 288.298 0.082 20 0 CCADLP CC[N@H+](CCO)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001489166691 900445180 /nfs/dbraw/zinc/44/51/80/900445180.db2.gz DXZZMYZKYRDWFT-LBPRGKRZSA-N 2 2 280.372 0.257 20 0 CCADLP CC[N@@H+](CCO)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001489166691 900445193 /nfs/dbraw/zinc/44/51/93/900445193.db2.gz DXZZMYZKYRDWFT-LBPRGKRZSA-N 2 2 280.372 0.257 20 0 CCADLP CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001320468384 900928245 /nfs/dbraw/zinc/92/82/45/900928245.db2.gz KHSYZZJDDZKMSE-VXGBXAGGSA-N 2 2 264.373 0.950 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)no1 ZINC001411404904 901037865 /nfs/dbraw/zinc/03/78/65/901037865.db2.gz ITORBTCOWPQOML-MFKMUULPSA-N 2 2 278.356 0.512 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)no1 ZINC001411404904 901037878 /nfs/dbraw/zinc/03/78/78/901037878.db2.gz ITORBTCOWPQOML-MFKMUULPSA-N 2 2 278.356 0.512 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(Cc2nn[nH]n2)CC1 ZINC001413048266 902566344 /nfs/dbraw/zinc/56/63/44/902566344.db2.gz NWYWFIYHLRMZIN-ZDUSSCGKSA-N 2 2 296.419 0.155 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(Cc2nn[nH]n2)CC1 ZINC001413048266 902566350 /nfs/dbraw/zinc/56/63/50/902566350.db2.gz NWYWFIYHLRMZIN-ZDUSSCGKSA-N 2 2 296.419 0.155 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001491463626 903608235 /nfs/dbraw/zinc/60/82/35/903608235.db2.gz OZWHDZOWGVUTJR-NWDGAFQWSA-N 2 2 294.399 0.237 20 0 CCADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]CCn1cccn1 ZINC001491476181 903616422 /nfs/dbraw/zinc/61/64/22/903616422.db2.gz BZSHYNZQODOVIR-GFCCVEGCSA-N 2 2 290.371 0.333 20 0 CCADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]CCn1cccn1 ZINC001491476181 903616429 /nfs/dbraw/zinc/61/64/29/903616429.db2.gz BZSHYNZQODOVIR-GFCCVEGCSA-N 2 2 290.371 0.333 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CC1CC1 ZINC001491508175 903627692 /nfs/dbraw/zinc/62/76/92/903627692.db2.gz PEGDYTVCINZFCR-YPMHNXCESA-N 2 2 276.384 0.950 20 0 CCADLP C[C@@H](NC(=O)[C@@H](C)n1cc[nH+]c1)C1CC[NH2+]CC1 ZINC001331688939 904004836 /nfs/dbraw/zinc/00/48/36/904004836.db2.gz GLYODVOTLSWXBT-GHMZBOCLSA-N 2 2 250.346 0.948 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@H+](C)C[C@@H]1CC[C@@H](C)O1 ZINC001377249567 904722508 /nfs/dbraw/zinc/72/25/08/904722508.db2.gz SOPRMXPARRBISQ-YPMHNXCESA-N 2 2 294.399 0.876 20 0 CCADLP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@H+](Cc2ccon2)C1 ZINC001377469184 904918847 /nfs/dbraw/zinc/91/88/47/904918847.db2.gz BXRWDJHXMARPBF-CYBMUJFWSA-N 2 2 292.383 0.709 20 0 CCADLP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@@H+](Cc2ccon2)C1 ZINC001377469184 904918860 /nfs/dbraw/zinc/91/88/60/904918860.db2.gz BXRWDJHXMARPBF-CYBMUJFWSA-N 2 2 292.383 0.709 20 0 CCADLP CO[C@H](C)C[NH2+]CC1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001377726098 905115991 /nfs/dbraw/zinc/11/59/91/905115991.db2.gz HXQWPLJUTARRJC-VOMCLLRMSA-N 2 2 280.372 0.472 20 0 CCADLP CO[C@H](C)C[N@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001377756181 905141822 /nfs/dbraw/zinc/14/18/22/905141822.db2.gz BEAKGSXKZJFGNI-CHWSQXEVSA-N 2 2 294.399 0.767 20 0 CCADLP CO[C@H](C)C[N@@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001377756181 905141828 /nfs/dbraw/zinc/14/18/28/905141828.db2.gz BEAKGSXKZJFGNI-CHWSQXEVSA-N 2 2 294.399 0.767 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)NCCCCCCO)CC1 ZINC001336963659 921130250 /nfs/dbraw/zinc/13/02/50/921130250.db2.gz QWNXSLLYSDTFMU-UHFFFAOYSA-N 2 2 286.420 0.261 20 0 CCADLP C[C@H]1CC[C@H](C[NH+]2CC(CNC(=O)Cc3c[nH]c[nH+]3)C2)O1 ZINC001377997870 905311344 /nfs/dbraw/zinc/31/13/44/905311344.db2.gz DBMVCEROXZDYDQ-SMDDNHRTSA-N 2 2 292.383 0.568 20 0 CCADLP CO[C@H](C)C[NH+]1CC(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001378003056 905315478 /nfs/dbraw/zinc/31/54/78/905315478.db2.gz XXNDFFJTTHHXQX-CHWSQXEVSA-N 2 2 294.399 0.917 20 0 CCADLP Cc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)CC[NH+](C)C)C2)co1 ZINC001378165378 905469081 /nfs/dbraw/zinc/46/90/81/905469081.db2.gz MITHHVJFCYAQKM-CQSZACIVSA-N 2 2 294.399 0.967 20 0 CCADLP Cc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)CC[NH+](C)C)C2)co1 ZINC001378165378 905469088 /nfs/dbraw/zinc/46/90/88/905469088.db2.gz MITHHVJFCYAQKM-CQSZACIVSA-N 2 2 294.399 0.967 20 0 CCADLP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cnon1 ZINC001378308801 905582027 /nfs/dbraw/zinc/58/20/27/905582027.db2.gz ZSHWDYSEKSNQJH-ZYHUDNBSSA-N 2 2 281.360 0.148 20 0 CCADLP CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cnon1 ZINC001378308801 905582039 /nfs/dbraw/zinc/58/20/39/905582039.db2.gz ZSHWDYSEKSNQJH-ZYHUDNBSSA-N 2 2 281.360 0.148 20 0 CCADLP C[C@H]([NH2+]CCF)[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001378774900 905813776 /nfs/dbraw/zinc/81/37/76/905813776.db2.gz VFFFRTNCRSYGML-QWHCGFSZSA-N 2 2 298.362 0.448 20 0 CCADLP CC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CN(C)CCN2C)CC1 ZINC000829179537 906164763 /nfs/dbraw/zinc/16/47/63/906164763.db2.gz HCWXYQCKWHNWSI-ZFWWWQNUSA-N 2 2 268.449 0.695 20 0 CCADLP C[C@@H](C[NH2+]Cc1ccccn1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001379564065 906350160 /nfs/dbraw/zinc/35/01/60/906350160.db2.gz YEQPIRGATZJDRG-NSHDSACASA-N 2 2 273.340 0.642 20 0 CCADLP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001379562906 906351301 /nfs/dbraw/zinc/35/13/01/906351301.db2.gz KICFWNAFSHECAO-NWDGAFQWSA-N 2 2 295.387 0.065 20 0 CCADLP COCC[N@H+](C)CCN(C(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001380038125 906605403 /nfs/dbraw/zinc/60/54/03/906605403.db2.gz YIRRKIVKTAXUIR-UHFFFAOYSA-N 2 2 282.388 0.767 20 0 CCADLP COCC[N@@H+](C)CCN(C(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001380038125 906605413 /nfs/dbraw/zinc/60/54/13/906605413.db2.gz YIRRKIVKTAXUIR-UHFFFAOYSA-N 2 2 282.388 0.767 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2cscn2)CC1 ZINC001380131063 906646735 /nfs/dbraw/zinc/64/67/35/906646735.db2.gz HWCQMLRNCCOJIO-GFCCVEGCSA-N 2 2 294.424 0.976 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2cscn2)CC1 ZINC001380131063 906646745 /nfs/dbraw/zinc/64/67/45/906646745.db2.gz HWCQMLRNCCOJIO-GFCCVEGCSA-N 2 2 294.424 0.976 20 0 CCADLP CC(C)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001380564779 906823686 /nfs/dbraw/zinc/82/36/86/906823686.db2.gz LZJKMIVPPFGNLK-HNNXBMFYSA-N 2 2 294.399 0.172 20 0 CCADLP CC(C)C[N@H+]1CC[C@](O)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001380564779 906823703 /nfs/dbraw/zinc/82/37/03/906823703.db2.gz LZJKMIVPPFGNLK-HNNXBMFYSA-N 2 2 294.399 0.172 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@@H]1COCC[NH+]1CC(C)C ZINC001380832414 906954352 /nfs/dbraw/zinc/95/43/52/906954352.db2.gz NVBYMAJYGBYHOX-CQSZACIVSA-N 2 2 285.432 0.801 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1COCC[NH+]1CC(C)C ZINC001380832414 906954367 /nfs/dbraw/zinc/95/43/67/906954367.db2.gz NVBYMAJYGBYHOX-CQSZACIVSA-N 2 2 285.432 0.801 20 0 CCADLP CCC[NH+](C)CC(=O)NC[C@@H]1COCC[N@@H+]1CC(C)C ZINC001380832414 906954384 /nfs/dbraw/zinc/95/43/84/906954384.db2.gz NVBYMAJYGBYHOX-CQSZACIVSA-N 2 2 285.432 0.801 20 0 CCADLP CCC[NH+](C)CC(=O)NC[C@@H]1COCC[N@H+]1CC(C)C ZINC001380832414 906954403 /nfs/dbraw/zinc/95/44/03/906954403.db2.gz NVBYMAJYGBYHOX-CQSZACIVSA-N 2 2 285.432 0.801 20 0 CCADLP [NH3+]Cc1nccnc1N1CCC(n2cc[nH+]c2)CC1 ZINC001337824401 921296450 /nfs/dbraw/zinc/29/64/50/921296450.db2.gz CWIMRHVXUOEAOO-UHFFFAOYSA-N 2 2 258.329 0.973 20 0 CCADLP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1csnn1 ZINC001381417046 907198559 /nfs/dbraw/zinc/19/85/59/907198559.db2.gz IUCXTXOILNFWNR-UWVGGRQHSA-N 2 2 285.417 0.473 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CC(=O)NC ZINC001381645857 907351268 /nfs/dbraw/zinc/35/12/68/907351268.db2.gz RUZJLMZDTPWHOR-CHWSQXEVSA-N 2 2 298.431 0.043 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CC(=O)NC ZINC001381645857 907351276 /nfs/dbraw/zinc/35/12/76/907351276.db2.gz RUZJLMZDTPWHOR-CHWSQXEVSA-N 2 2 298.431 0.043 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC ZINC001381645857 907351295 /nfs/dbraw/zinc/35/12/95/907351295.db2.gz RUZJLMZDTPWHOR-CHWSQXEVSA-N 2 2 298.431 0.043 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC ZINC001381645857 907351314 /nfs/dbraw/zinc/35/13/14/907351314.db2.gz RUZJLMZDTPWHOR-CHWSQXEVSA-N 2 2 298.431 0.043 20 0 CCADLP C=CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001338389326 908209105 /nfs/dbraw/zinc/20/91/05/908209105.db2.gz KLTFJCKOEQKPJE-UHFFFAOYSA-N 2 2 251.374 0.847 20 0 CCADLP C[NH+]1CCN(CCCC[NH2+]Cc2nc(CO)cs2)CC1 ZINC001308198069 908395434 /nfs/dbraw/zinc/39/54/34/908395434.db2.gz UMXKOSLRSBLAOZ-UHFFFAOYSA-N 2 2 298.456 0.753 20 0 CCADLP [NH3+][C@@H](CC(=O)N1CCC2(CC[NH2+]C2)CC1)C(F)F ZINC001340298406 908516876 /nfs/dbraw/zinc/51/68/76/908516876.db2.gz AQNJEZXXLQTSOE-VIFPVBQESA-N 2 2 261.316 0.571 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001317064202 908953867 /nfs/dbraw/zinc/95/38/67/908953867.db2.gz HKIQLLJDUFVFON-MNOVXSKESA-N 2 2 266.345 0.178 20 0 CCADLP CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317090072 908973919 /nfs/dbraw/zinc/97/39/19/908973919.db2.gz LJEQARVIYHBZRQ-GMTAPVOTSA-N 2 2 268.336 0.937 20 0 CCADLP CCCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317122085 908997820 /nfs/dbraw/zinc/99/78/20/908997820.db2.gz DTOUROZQHUBOFT-PHIMTYICSA-N 2 2 250.346 0.989 20 0 CCADLP CCC[N@H+](C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001317451494 909225870 /nfs/dbraw/zinc/22/58/70/909225870.db2.gz NHEMCJHLODJGMW-LBPRGKRZSA-N 2 2 264.373 0.904 20 0 CCADLP CCC[N@@H+](C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001317451494 909225885 /nfs/dbraw/zinc/22/58/85/909225885.db2.gz NHEMCJHLODJGMW-LBPRGKRZSA-N 2 2 264.373 0.904 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001389475431 909923588 /nfs/dbraw/zinc/92/35/88/909923588.db2.gz ARJKRFCIEGZTPF-QWHCGFSZSA-N 2 2 280.372 0.499 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001389475431 909923598 /nfs/dbraw/zinc/92/35/98/909923598.db2.gz ARJKRFCIEGZTPF-QWHCGFSZSA-N 2 2 280.372 0.499 20 0 CCADLP C[C@H](C(=O)NCCCC[N@@H+]1CCC[C@H]1CO)n1cc[nH+]c1 ZINC001319585295 910213871 /nfs/dbraw/zinc/21/38/71/910213871.db2.gz HRXPEXXXQAUZHU-KGLIPLIRSA-N 2 2 294.399 0.797 20 0 CCADLP C[C@H](C(=O)NCCCC[N@H+]1CCC[C@H]1CO)n1cc[nH+]c1 ZINC001319585295 910213890 /nfs/dbraw/zinc/21/38/90/910213890.db2.gz HRXPEXXXQAUZHU-KGLIPLIRSA-N 2 2 294.399 0.797 20 0 CCADLP COCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001320471512 910689641 /nfs/dbraw/zinc/68/96/41/910689641.db2.gz XYORGTPYYCYVTA-CHWSQXEVSA-N 2 2 294.399 0.576 20 0 CCADLP Cn1cncc1C[N@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001390809816 910697105 /nfs/dbraw/zinc/69/71/05/910697105.db2.gz IXORHXQSWGAUNY-UHFFFAOYSA-N 2 2 293.415 0.310 20 0 CCADLP Cn1cncc1C[N@@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001390809816 910697110 /nfs/dbraw/zinc/69/71/10/910697110.db2.gz IXORHXQSWGAUNY-UHFFFAOYSA-N 2 2 293.415 0.310 20 0 CCADLP C[C@@H](CC[NH2+]CC1CCOCC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001320560698 910740261 /nfs/dbraw/zinc/74/02/61/910740261.db2.gz GOQKZUZNRXSPJV-LBPRGKRZSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001417803060 921620496 /nfs/dbraw/zinc/62/04/96/921620496.db2.gz QLWXLCRVNXILAE-IHRRRGAJSA-N 2 2 294.399 0.529 20 0 CCADLP CC[NH2+]C/C=C/CNC(=O)Cc1c[nH+]ccc1OC ZINC001321108192 911089357 /nfs/dbraw/zinc/08/93/57/911089357.db2.gz DKICIYRZGJFFDA-SNAWJCMRSA-N 2 2 263.341 0.915 20 0 CCADLP CC[NH2+]C/C=C\CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001321124091 911103852 /nfs/dbraw/zinc/10/38/52/911103852.db2.gz DFLMSMTVESNSOP-MVZIDQBPSA-N 2 2 262.357 0.727 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1ccns1 ZINC001391972225 911491808 /nfs/dbraw/zinc/49/18/08/911491808.db2.gz ZMNUBEXHZJZJAR-NSHDSACASA-N 2 2 293.396 0.882 20 0 CCADLP C[C@@H](C[NH2+]C/C=C\Cl)NC(=O)Cc1c[nH]c[nH+]1 ZINC001322001951 911606810 /nfs/dbraw/zinc/60/68/10/911606810.db2.gz FVNIEDTYXIUKOX-XADBCAIWSA-N 2 2 256.737 0.799 20 0 CCADLP COCCC[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC001339207041 921682654 /nfs/dbraw/zinc/68/26/54/921682654.db2.gz NJELXOVDXMLHKB-UHFFFAOYSA-N 2 2 279.388 0.597 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CC[NH+](C)CCF)C1 ZINC001392329796 911728930 /nfs/dbraw/zinc/72/89/30/911728930.db2.gz DUSPRLGYJKKEFV-GFCCVEGCSA-N 2 2 275.368 0.067 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)CC[NH+](C)CCF)C1 ZINC001392329796 911728943 /nfs/dbraw/zinc/72/89/43/911728943.db2.gz DUSPRLGYJKKEFV-GFCCVEGCSA-N 2 2 275.368 0.067 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N(C)CC[N@H+](C)CCF)C1 ZINC001392329796 911728954 /nfs/dbraw/zinc/72/89/54/911728954.db2.gz DUSPRLGYJKKEFV-GFCCVEGCSA-N 2 2 275.368 0.067 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N(C)CC[N@@H+](C)CCF)C1 ZINC001392329796 911728965 /nfs/dbraw/zinc/72/89/65/911728965.db2.gz DUSPRLGYJKKEFV-GFCCVEGCSA-N 2 2 275.368 0.067 20 0 CCADLP C[C@H](C[N@H+](C)CCCF)NC(=O)Cc1[nH]cc[nH+]1 ZINC001322268936 911738684 /nfs/dbraw/zinc/73/86/84/911738684.db2.gz GVBXDOSASWDWMD-SNVBAGLBSA-N 2 2 256.325 0.748 20 0 CCADLP C[C@H](C[N@@H+](C)CCCF)NC(=O)Cc1[nH]cc[nH+]1 ZINC001322268936 911738692 /nfs/dbraw/zinc/73/86/92/911738692.db2.gz GVBXDOSASWDWMD-SNVBAGLBSA-N 2 2 256.325 0.748 20 0 CCADLP C[C@H](C(=O)NCC1CC[NH+](C)CC1)n1cc[nH+]c1 ZINC001322289164 911747678 /nfs/dbraw/zinc/74/76/78/911747678.db2.gz FGELHLQBFPWFPP-LLVKDONJSA-N 2 2 250.346 0.902 20 0 CCADLP CN(CCC[NH2+]CCCO)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001322579641 911865762 /nfs/dbraw/zinc/86/57/62/911865762.db2.gz HLEYTWGWTANEBH-ZDUSSCGKSA-N 2 2 294.399 0.266 20 0 CCADLP CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1nncs1)[NH+](C)C ZINC001392512087 911873814 /nfs/dbraw/zinc/87/38/14/911873814.db2.gz VLNSAYAHLDBRPG-ZJUUUORDSA-N 2 2 285.417 0.473 20 0 CCADLP Cc1noc(C[NH2+]C[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)n1 ZINC001392522806 911890328 /nfs/dbraw/zinc/89/03/28/911890328.db2.gz DMDCJXUIPNXWNK-SNVBAGLBSA-N 2 2 293.371 0.068 20 0 CCADLP C[C@H](C[NH2+][C@H](C)c1cnccn1)NC(=O)Cn1cc[nH+]c1 ZINC001392538301 911900554 /nfs/dbraw/zinc/90/05/54/911900554.db2.gz PFLPHNQNSZYRLA-VXGBXAGGSA-N 2 2 288.355 0.529 20 0 CCADLP O=C(N[C@@H](C[NH2+]CCO)C1CC1)c1cccc2[nH+]ccn21 ZINC001323036270 912084842 /nfs/dbraw/zinc/08/48/42/912084842.db2.gz ROQXMMHPAYLODS-LBPRGKRZSA-N 2 2 288.351 0.425 20 0 CCADLP Cc1cnc(C[N@H+](C)CCNC(=O)C[NH+]2CCCC2)cn1 ZINC001399648885 915288830 /nfs/dbraw/zinc/28/88/30/915288830.db2.gz WCWFRJFKXQFONG-UHFFFAOYSA-N 2 2 291.399 0.429 20 0 CCADLP Cc1cnc(C[N@@H+](C)CCNC(=O)C[NH+]2CCCC2)cn1 ZINC001399648885 915288843 /nfs/dbraw/zinc/28/88/43/915288843.db2.gz WCWFRJFKXQFONG-UHFFFAOYSA-N 2 2 291.399 0.429 20 0 CCADLP CCC[N@H+](CCO)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001399957455 915476337 /nfs/dbraw/zinc/47/63/37/915476337.db2.gz OIVDFKGAYAKOHD-UHFFFAOYSA-N 2 2 290.367 0.997 20 0 CCADLP CCC[N@@H+](CCO)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001399957455 915476352 /nfs/dbraw/zinc/47/63/52/915476352.db2.gz OIVDFKGAYAKOHD-UHFFFAOYSA-N 2 2 290.367 0.997 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)C(C)(C)C1)n1cc[nH+]c1 ZINC001329066754 915637848 /nfs/dbraw/zinc/63/78/48/915637848.db2.gz QTPJFJFVXDYWPS-LLVKDONJSA-N 2 2 250.346 0.997 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)C(C)(C)C1)n1cc[nH+]c1 ZINC001329066754 915637866 /nfs/dbraw/zinc/63/78/66/915637866.db2.gz QTPJFJFVXDYWPS-LLVKDONJSA-N 2 2 250.346 0.997 20 0 CCADLP COCC[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001329168690 915723503 /nfs/dbraw/zinc/72/35/03/915723503.db2.gz NSSMUIHWQKTGSH-GHMZBOCLSA-N 2 2 268.361 0.092 20 0 CCADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1C)[NH2+]Cc1ccon1 ZINC001400928670 915990281 /nfs/dbraw/zinc/99/02/81/915990281.db2.gz PGQHETGPORQREA-GFCCVEGCSA-N 2 2 291.355 0.864 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]Cc1ccon1 ZINC001401142187 916069871 /nfs/dbraw/zinc/06/98/71/916069871.db2.gz YHCMZIUTTXWQKE-LLVKDONJSA-N 2 2 291.355 0.493 20 0 CCADLP C[C@H](C[NH2+]C[C@H](C)O)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001401229204 916134513 /nfs/dbraw/zinc/13/45/13/916134513.db2.gz SCMNACPJTXTTFZ-MNOVXSKESA-N 2 2 290.367 0.994 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC001401256564 916150985 /nfs/dbraw/zinc/15/09/85/916150985.db2.gz PNJRDKZQWPCRGW-RYUDHWBXSA-N 2 2 282.388 0.434 20 0 CCADLP Cc1ncoc1C[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001401267692 916156023 /nfs/dbraw/zinc/15/60/23/916156023.db2.gz QAUVUMPAESQEGC-LLVKDONJSA-N 2 2 291.355 0.816 20 0 CCADLP COC[C@H](C)[NH2+][C@H](CNC(=O)Cc1c[nH+]cn1C)C(C)C ZINC001401398869 916246479 /nfs/dbraw/zinc/24/64/79/916246479.db2.gz ZFEYFRMXGBRHCM-GXTWGEPZSA-N 2 2 296.415 0.728 20 0 CCADLP CC[NH2+]C[C@@H](O)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001401502445 916287244 /nfs/dbraw/zinc/28/72/44/916287244.db2.gz HOYHBFPJQHKDFM-GFCCVEGCSA-N 2 2 276.340 0.343 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]C[C@@H](C)NC(=O)C[NH+]2CCCC2)[nH]1 ZINC001401672907 916453101 /nfs/dbraw/zinc/45/31/01/916453101.db2.gz XTPMHMYOOUPLDB-MNOVXSKESA-N 2 2 294.403 0.364 20 0 CCADLP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC001330343514 916564414 /nfs/dbraw/zinc/56/44/14/916564414.db2.gz QTXKTRNTBNZOSJ-DNWYELSFSA-N 2 2 295.427 0.864 20 0 CCADLP O=C(NCC1([NH2+]CCO)CCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001402553167 917088689 /nfs/dbraw/zinc/08/86/89/917088689.db2.gz GKZYFOJHKNKTCX-LBPRGKRZSA-N 2 2 292.383 0.066 20 0 CCADLP CC[C@@H](F)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001402608936 917124375 /nfs/dbraw/zinc/12/43/75/917124375.db2.gz SJDPQDPCOWDJKX-DGCLKSJQSA-N 2 2 298.362 0.517 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccon1 ZINC001402914522 917344589 /nfs/dbraw/zinc/34/45/89/917344589.db2.gz ZRELQBNVIIABMJ-AAEUAGOBSA-N 2 2 280.372 0.753 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1ccon1 ZINC001402914522 917344604 /nfs/dbraw/zinc/34/46/04/917344604.db2.gz ZRELQBNVIIABMJ-AAEUAGOBSA-N 2 2 280.372 0.753 20 0 CCADLP O=C(NC[C@H](CO)[NH2+]CCCF)c1cc2c[nH+]ccc2[nH]1 ZINC001331739017 917562739 /nfs/dbraw/zinc/56/27/39/917562739.db2.gz JKCSSXMBHIJAKY-LLVKDONJSA-N 2 2 294.330 0.603 20 0 CCADLP COC[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001403357769 917674262 /nfs/dbraw/zinc/67/42/62/917674262.db2.gz VCMIBPBIONATCI-VXGBXAGGSA-N 2 2 280.372 0.355 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1[C@H]2C[N@@H+](CC3CCC3)C[C@H]21 ZINC001403400767 917695494 /nfs/dbraw/zinc/69/54/94/917695494.db2.gz FATPWHTZNHZWNK-QKDCVEJESA-N 2 2 288.395 0.977 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1[C@H]2C[N@H+](CC3CCC3)C[C@H]21 ZINC001403400767 917695504 /nfs/dbraw/zinc/69/55/04/917695504.db2.gz FATPWHTZNHZWNK-QKDCVEJESA-N 2 2 288.395 0.977 20 0 CCADLP C[C@@H]1[C@H]([NH2+]Cc2csnn2)CCN1C(=O)CC[NH+](C)C ZINC001403738397 917980310 /nfs/dbraw/zinc/98/03/10/917980310.db2.gz DLCQSGYBZVLMEM-ZYHUDNBSSA-N 2 2 297.428 0.569 20 0 CCADLP CC(C)[NH2+]C[C@@H](O)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001403849075 918056906 /nfs/dbraw/zinc/05/69/06/918056906.db2.gz LVSHLVYWXQVOJQ-GFCCVEGCSA-N 2 2 282.388 0.170 20 0 CCADLP CC[C@@H](C)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001403876986 918078662 /nfs/dbraw/zinc/07/86/62/918078662.db2.gz GMQSCFKPRRPEQC-OCCSQVGLSA-N 2 2 296.415 0.418 20 0 CCADLP COC[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001404030937 918176329 /nfs/dbraw/zinc/17/63/29/918176329.db2.gz ZZLQFPXKVYGUGS-CHWSQXEVSA-N 2 2 294.399 0.578 20 0 CCADLP COC[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001404030937 918176337 /nfs/dbraw/zinc/17/63/37/918176337.db2.gz ZZLQFPXKVYGUGS-CHWSQXEVSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCc2c[nH+]cn2C)C1 ZINC001332558512 918277135 /nfs/dbraw/zinc/27/71/35/918277135.db2.gz WWEGYCVWEAQCHT-VHSXEESVSA-N 2 2 251.334 0.299 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001404345090 918320510 /nfs/dbraw/zinc/32/05/10/918320510.db2.gz SPRCYRDUQAKZAN-ZYHUDNBSSA-N 2 2 295.387 0.439 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001404345090 918320527 /nfs/dbraw/zinc/32/05/27/918320527.db2.gz SPRCYRDUQAKZAN-ZYHUDNBSSA-N 2 2 295.387 0.439 20 0 CCADLP CC[C@H](C(=O)NC1C[NH+]([C@@H](C)COC)C1)[NH+](CC)CC ZINC001404804894 918471690 /nfs/dbraw/zinc/47/16/90/918471690.db2.gz PTODUHDAWZEKSR-GXTWGEPZSA-N 2 2 285.432 0.942 20 0 CCADLP C[C@H]1[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[N@@H+]1C ZINC001332925088 918535317 /nfs/dbraw/zinc/53/53/17/918535317.db2.gz AHNOZWLWLUVJQP-ONGXEEELSA-N 2 2 266.345 0.559 20 0 CCADLP C[C@H]1[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[N@H+]1C ZINC001332925088 918535328 /nfs/dbraw/zinc/53/53/28/918535328.db2.gz AHNOZWLWLUVJQP-ONGXEEELSA-N 2 2 266.345 0.559 20 0 CCADLP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1csnn1 ZINC001405346353 918733260 /nfs/dbraw/zinc/73/32/60/918733260.db2.gz OYTHRINWDIXZLI-QWRGUYRKSA-N 2 2 297.428 0.474 20 0 CCADLP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1csnn1 ZINC001405346353 918733278 /nfs/dbraw/zinc/73/32/78/918733278.db2.gz OYTHRINWDIXZLI-QWRGUYRKSA-N 2 2 297.428 0.474 20 0 CCADLP C[C@@H]([NH2+]CCO)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001406000889 918991960 /nfs/dbraw/zinc/99/19/60/918991960.db2.gz QMSKCLHIMKSRNJ-CHWSQXEVSA-N 2 2 280.372 0.092 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC001333597431 919032081 /nfs/dbraw/zinc/03/20/81/919032081.db2.gz AQPSHWMAYOOGLF-DGCLKSJQSA-N 2 2 263.345 0.504 20 0 CCADLP CC[N@@H+](C/C=C\Cl)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001492947907 919044826 /nfs/dbraw/zinc/04/48/26/919044826.db2.gz HAAVAVUKGHUOHE-RXNFCKPNSA-N 2 2 289.807 0.508 20 0 CCADLP CC[N@H+](C/C=C\Cl)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001492947907 919044841 /nfs/dbraw/zinc/04/48/41/919044841.db2.gz HAAVAVUKGHUOHE-RXNFCKPNSA-N 2 2 289.807 0.508 20 0 CCADLP CC[NH+](C/C=C\Cl)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001492947907 919044858 /nfs/dbraw/zinc/04/48/58/919044858.db2.gz HAAVAVUKGHUOHE-RXNFCKPNSA-N 2 2 289.807 0.508 20 0 CCADLP CC[NH+](C/C=C\Cl)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001492947907 919044876 /nfs/dbraw/zinc/04/48/76/919044876.db2.gz HAAVAVUKGHUOHE-RXNFCKPNSA-N 2 2 289.807 0.508 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC001333625291 919051810 /nfs/dbraw/zinc/05/18/10/919051810.db2.gz RCQGNCLXIAAFOQ-LLVKDONJSA-N 2 2 265.361 0.691 20 0 CCADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)[C@@H]1CCS(=O)(=O)C1 ZINC001333697822 919108032 /nfs/dbraw/zinc/10/80/32/919108032.db2.gz REDKEDCETUUBST-GHMZBOCLSA-N 2 2 257.359 0.296 20 0 CCADLP Cc1ncoc1C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001406408437 919242138 /nfs/dbraw/zinc/24/21/38/919242138.db2.gz HIOFTKHHCPVRMO-SNVBAGLBSA-N 2 2 291.355 0.554 20 0 CCADLP CC[C@H](C[N@@H+]1CC[C@@H]1CNC(=O)Cc1c[nH+]cn1C)OC ZINC001406867485 919504494 /nfs/dbraw/zinc/50/44/94/919504494.db2.gz AXRVWXWADQTLGS-TZMCWYRMSA-N 2 2 294.399 0.578 20 0 CCADLP CC[C@H](C[N@H+]1CC[C@@H]1CNC(=O)Cc1c[nH+]cn1C)OC ZINC001406867485 919504500 /nfs/dbraw/zinc/50/45/00/919504500.db2.gz AXRVWXWADQTLGS-TZMCWYRMSA-N 2 2 294.399 0.578 20 0 CCADLP CC(C)OCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001407065846 919600242 /nfs/dbraw/zinc/60/02/42/919600242.db2.gz TUWCMMUGYLZBAO-CQSZACIVSA-N 2 2 283.416 0.648 20 0 CCADLP CC(C)OCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001407065846 919600255 /nfs/dbraw/zinc/60/02/55/919600255.db2.gz TUWCMMUGYLZBAO-CQSZACIVSA-N 2 2 283.416 0.648 20 0 CCADLP CC(C)[N@@H+]1CCO[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001407471299 919770996 /nfs/dbraw/zinc/77/09/96/919770996.db2.gz QIJXPFNEWOADAB-CQSZACIVSA-N 2 2 294.399 0.578 20 0 CCADLP CC(C)[N@H+]1CCO[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001407471299 919771013 /nfs/dbraw/zinc/77/10/13/919771013.db2.gz QIJXPFNEWOADAB-CQSZACIVSA-N 2 2 294.399 0.578 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[N@@H+](C)C[C@H](C)O ZINC001407953358 919963759 /nfs/dbraw/zinc/96/37/59/919963759.db2.gz MGIVRPQDZBJKCW-NSHDSACASA-N 2 2 282.388 0.422 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[N@H+](C)C[C@H](C)O ZINC001407953358 919963769 /nfs/dbraw/zinc/96/37/69/919963769.db2.gz MGIVRPQDZBJKCW-NSHDSACASA-N 2 2 282.388 0.422 20 0 CCADLP [NH3+]C[C@H]1C[C@H](NC(=O)NCCCn2cc[nH+]c2)C1 ZINC001335328879 920124718 /nfs/dbraw/zinc/12/47/18/920124718.db2.gz XHVWWZGHMJNAAK-XYPYZODXSA-N 2 2 251.334 0.310 20 0 CCADLP C[C@H](C[NH2+]C[C@@H](O)Cn1cccn1)Cn1cc[nH+]c1 ZINC001335351968 920139031 /nfs/dbraw/zinc/13/90/31/920139031.db2.gz UKZZRTJQFLDHHV-CHWSQXEVSA-N 2 2 263.345 0.366 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1CC[NH2+]CC1 ZINC001335841750 920474442 /nfs/dbraw/zinc/47/44/42/920474442.db2.gz GEJZIGMIIJWUJF-VXGBXAGGSA-N 2 2 262.357 0.639 20 0 CCADLP [NH3+][C@H](CC(=O)NCCCC[NH+]1CCOCC1)C(F)F ZINC001340042221 921926335 /nfs/dbraw/zinc/92/63/35/921926335.db2.gz VTDRJVLVJDYWRZ-SNVBAGLBSA-N 2 2 279.331 0.198 20 0 CCADLP CC(C)C[C@@H](C(=O)NC[C@@H](C)[NH2+]CCO)n1cc[nH+]c1 ZINC001418236074 921949793 /nfs/dbraw/zinc/94/97/93/921949793.db2.gz KXCBDEHJNWZFFW-OLZOCXBDSA-N 2 2 282.388 0.557 20 0 CCADLP CC(C)(C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)c1c[nH+]c[nH]1 ZINC001340161533 921989093 /nfs/dbraw/zinc/98/90/93/921989093.db2.gz AKUBYTVDMAUHHO-QWRGUYRKSA-N 2 2 262.357 0.898 20 0 CCADLP C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]CC(=O)N(C)C ZINC001418285295 921993494 /nfs/dbraw/zinc/99/34/94/921993494.db2.gz SVLJSRBCCVJNBU-NEPJUHHUSA-N 2 2 295.387 0.017 20 0 CCADLP C[C@H](CC(=O)NC[C@H](C)[NH2+]CC(=O)N(C)C)n1cc[nH+]c1 ZINC001418285299 921994557 /nfs/dbraw/zinc/99/45/57/921994557.db2.gz SVLJSRBCCVJNBU-NWDGAFQWSA-N 2 2 295.387 0.017 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)CC(C)(C)C[NH3+])CCO1 ZINC001340199044 922008208 /nfs/dbraw/zinc/00/82/08/922008208.db2.gz DOANOISBBSMACB-LLVKDONJSA-N 2 2 257.378 0.198 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)CC(C)(C)C[NH3+])CCO1 ZINC001340199044 922008219 /nfs/dbraw/zinc/00/82/19/922008219.db2.gz DOANOISBBSMACB-LLVKDONJSA-N 2 2 257.378 0.198 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001340700736 922174329 /nfs/dbraw/zinc/17/43/29/922174329.db2.gz FMQJRBHWBFEEGE-WCFLWFBJSA-N 2 2 262.357 0.702 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[N@@H+](C)C/C=C\Cl ZINC001418519196 922209675 /nfs/dbraw/zinc/20/96/75/922209675.db2.gz JDQRJMVBJIRBAX-ARJAWSKDSA-N 2 2 270.764 0.992 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[N@H+](C)C/C=C\Cl ZINC001418519196 922209685 /nfs/dbraw/zinc/20/96/85/922209685.db2.gz JDQRJMVBJIRBAX-ARJAWSKDSA-N 2 2 270.764 0.992 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH+](C)Cc1ocnc1C ZINC001418516991 922211255 /nfs/dbraw/zinc/21/12/55/922211255.db2.gz RJGWSOCINKXZJM-UHFFFAOYSA-N 2 2 282.388 0.873 20 0 CCADLP CCC[NH+](C)CC(=O)NCC[N@H+](C)Cc1ocnc1C ZINC001418516991 922211264 /nfs/dbraw/zinc/21/12/64/922211264.db2.gz RJGWSOCINKXZJM-UHFFFAOYSA-N 2 2 282.388 0.873 20 0 CCADLP CCC[NH+](C)CC(=O)NCC[N@@H+](C)Cc1ocnc1C ZINC001418516991 922211274 /nfs/dbraw/zinc/21/12/74/922211274.db2.gz RJGWSOCINKXZJM-UHFFFAOYSA-N 2 2 282.388 0.873 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC001340977883 922304391 /nfs/dbraw/zinc/30/43/91/922304391.db2.gz MLUBBNUCSWJWES-FOGDFJRCSA-N 2 2 262.357 0.719 20 0 CCADLP CC[N@H+](CCO)[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001418787469 922422741 /nfs/dbraw/zinc/42/27/41/922422741.db2.gz DGZHPXXUCFFGNU-CYBMUJFWSA-N 2 2 294.399 0.566 20 0 CCADLP CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001418787469 922422745 /nfs/dbraw/zinc/42/27/45/922422745.db2.gz DGZHPXXUCFFGNU-CYBMUJFWSA-N 2 2 294.399 0.566 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC001341548355 922544168 /nfs/dbraw/zinc/54/41/68/922544168.db2.gz QSZFBHAIACDJEU-RAIGVLPGSA-N 2 2 262.357 0.941 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC001341548355 922544182 /nfs/dbraw/zinc/54/41/82/922544182.db2.gz QSZFBHAIACDJEU-RAIGVLPGSA-N 2 2 262.357 0.941 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)Cc1csc(C[NH3+])n1 ZINC001341555018 922552071 /nfs/dbraw/zinc/55/20/71/922552071.db2.gz HNKKESFOMGNQMT-UHFFFAOYSA-N 2 2 293.396 0.856 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001341747755 922655863 /nfs/dbraw/zinc/65/58/63/922655863.db2.gz JAZJUVLXZNFHMW-UWVGGRQHSA-N 2 2 250.346 0.883 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCCC2(CC[NH2+]CC2)C1 ZINC001341763644 922661204 /nfs/dbraw/zinc/66/12/04/922661204.db2.gz CZBABXQYDZBAMQ-UHFFFAOYSA-N 2 2 262.357 0.944 20 0 CCADLP C[C@@H](C(=O)N(C)C1(C[NH3+])CCOCC1)n1cc[nH+]c1 ZINC001342096649 922801408 /nfs/dbraw/zinc/80/14/08/922801408.db2.gz QSIWDMBAVZRKGT-NSHDSACASA-N 2 2 266.345 0.410 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001342302247 922903073 /nfs/dbraw/zinc/90/30/73/922903073.db2.gz QOLHAYTZUUUDMR-ZMLRMANQSA-N 2 2 250.346 0.845 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001342302247 922903077 /nfs/dbraw/zinc/90/30/77/922903077.db2.gz QOLHAYTZUUUDMR-ZMLRMANQSA-N 2 2 250.346 0.845 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[NH2+]1 ZINC001342319620 922908988 /nfs/dbraw/zinc/90/89/88/922908988.db2.gz BMOZVDYWURZEKD-WRWGMCAJSA-N 2 2 262.357 0.780 20 0 CCADLP CCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H]1CC[NH2+]C1 ZINC001342474772 922976103 /nfs/dbraw/zinc/97/61/03/922976103.db2.gz JXTFTZPOZVGOOA-AAEUAGOBSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH+]cn1C ZINC001419737453 923053915 /nfs/dbraw/zinc/05/39/15/923053915.db2.gz GKILIZDBLDPFHR-NWDGAFQWSA-N 2 2 282.388 0.170 20 0 CCADLP Cc1cc(N)nc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)[nH+]1 ZINC001342945956 923145554 /nfs/dbraw/zinc/14/55/54/923145554.db2.gz BISPPXLYCJWKJW-UWVGGRQHSA-N 2 2 251.334 0.498 20 0 CCADLP CN(CC[N@H+](C)C[C@@H]1CCOC1)C(=O)Cc1c[nH+]cn1C ZINC001420035895 923249044 /nfs/dbraw/zinc/24/90/44/923249044.db2.gz HFFVLSQIOQTZHM-ZDUSSCGKSA-N 2 2 294.399 0.389 20 0 CCADLP CN(CC[N@@H+](C)C[C@@H]1CCOC1)C(=O)Cc1c[nH+]cn1C ZINC001420035895 923249058 /nfs/dbraw/zinc/24/90/58/923249058.db2.gz HFFVLSQIOQTZHM-ZDUSSCGKSA-N 2 2 294.399 0.389 20 0 CCADLP CC[C@H](C(=O)NC[C@H](C)[NH3+])[N@H+]1CCO[C@H](CC)C1 ZINC001343487186 923344563 /nfs/dbraw/zinc/34/45/63/923344563.db2.gz LYWLSPZMHMVBMU-QJPTWQEYSA-N 2 2 257.378 0.339 20 0 CCADLP Cn1c[nH+]cc1COC(=O)COC1CC[NH+](C)CC1 ZINC001343468965 923331863 /nfs/dbraw/zinc/33/18/63/923331863.db2.gz MSYGUTLGEHLZEK-UHFFFAOYSA-N 2 2 267.329 0.574 20 0 CCADLP CC[C@H](C(=O)NC[C@H](C)[NH3+])[N@@H+]1CCO[C@H](CC)C1 ZINC001343487186 923344550 /nfs/dbraw/zinc/34/45/50/923344550.db2.gz LYWLSPZMHMVBMU-QJPTWQEYSA-N 2 2 257.378 0.339 20 0 CCADLP CC1(C)CC(C[NH2+]C[C@@H](O)CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001420180741 923376913 /nfs/dbraw/zinc/37/69/13/923376913.db2.gz BFCONIHKLQGVCW-GFCCVEGCSA-N 2 2 294.399 0.455 20 0 CCADLP [NH3+][C@H](CC(=O)NCC[C@@H]1CCC[NH2+]CC1)C(F)F ZINC001343765058 923461771 /nfs/dbraw/zinc/46/17/71/923461771.db2.gz MTQGWAVIGDZZSU-NXEZZACHSA-N 2 2 263.332 0.865 20 0 CCADLP CC[C@@H]([NH3+])C(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001343825082 923477572 /nfs/dbraw/zinc/47/75/72/923477572.db2.gz WXFNZJNHNHARPF-LLVKDONJSA-N 2 2 250.346 0.863 20 0 CCADLP CC[C@H](C)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001420281301 923493427 /nfs/dbraw/zinc/49/34/27/923493427.db2.gz DGLAFUKLLOLWPX-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP CC[C@H](C)NC(=O)C[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001420281301 923493440 /nfs/dbraw/zinc/49/34/40/923493440.db2.gz DGLAFUKLLOLWPX-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP CC[C@H](C)NC(=O)C[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001420281301 923493451 /nfs/dbraw/zinc/49/34/51/923493451.db2.gz DGLAFUKLLOLWPX-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP C[NH2+]CCOCCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001344342700 923581287 /nfs/dbraw/zinc/58/12/87/923581287.db2.gz BXCXPGTYCWRXCX-UHFFFAOYSA-N 2 2 268.361 0.382 20 0 CCADLP Cc1nocc1C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001420364616 923583110 /nfs/dbraw/zinc/58/31/10/923583110.db2.gz FMUCWGONYWNRCS-SNVBAGLBSA-N 2 2 291.355 0.554 20 0 CCADLP CC[N@H+](CCNC(=O)Cc1c[nH+]cn1C)C[C@H](C)OC ZINC001420439451 923661303 /nfs/dbraw/zinc/66/13/03/923661303.db2.gz PTASXDDVRGOMRH-LBPRGKRZSA-N 2 2 282.388 0.436 20 0 CCADLP CC[N@@H+](CCNC(=O)Cc1c[nH+]cn1C)C[C@H](C)OC ZINC001420439451 923661308 /nfs/dbraw/zinc/66/13/08/923661308.db2.gz PTASXDDVRGOMRH-LBPRGKRZSA-N 2 2 282.388 0.436 20 0 CCADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)CC[C@H]1CCOC1 ZINC001420453471 923677699 /nfs/dbraw/zinc/67/76/99/923677699.db2.gz NOZACTIDMLIFNK-AWEZNQCLSA-N 2 2 294.399 0.748 20 0 CCADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)CC[C@H]1CCOC1 ZINC001420453471 923677708 /nfs/dbraw/zinc/67/77/08/923677708.db2.gz NOZACTIDMLIFNK-AWEZNQCLSA-N 2 2 294.399 0.748 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC001420470890 923696718 /nfs/dbraw/zinc/69/67/18/923696718.db2.gz PDNWNCMLFFIVCM-ZDUSSCGKSA-N 2 2 294.399 0.316 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC001420470890 923696731 /nfs/dbraw/zinc/69/67/31/923696731.db2.gz PDNWNCMLFFIVCM-ZDUSSCGKSA-N 2 2 294.399 0.316 20 0 CCADLP COC[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001420474045 923702203 /nfs/dbraw/zinc/70/22/03/923702203.db2.gz YQCOARSZOJDFGT-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP COC[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001420474045 923702215 /nfs/dbraw/zinc/70/22/15/923702215.db2.gz YQCOARSZOJDFGT-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP Cc1noc(C[NH2+]C[C@H](C)NC(=O)C23CC[NH+](CC2)C3)n1 ZINC001420502808 923721045 /nfs/dbraw/zinc/72/10/45/923721045.db2.gz DMDCJXUIPNXWNK-JTQLQIEISA-N 2 2 293.371 0.068 20 0 CCADLP C[C@H](C[N@H+](C)C/C=C\Cl)NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001420549116 923770729 /nfs/dbraw/zinc/77/07/29/923770729.db2.gz ARNJEKMERSNABT-XLMCQVRKSA-N 2 2 289.807 0.506 20 0 CCADLP C[C@H](C[N@@H+](C)C/C=C\Cl)NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001420549116 923770736 /nfs/dbraw/zinc/77/07/36/923770736.db2.gz ARNJEKMERSNABT-XLMCQVRKSA-N 2 2 289.807 0.506 20 0 CCADLP C[C@H](C[NH+](C)C/C=C\Cl)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001420549116 923770750 /nfs/dbraw/zinc/77/07/50/923770750.db2.gz ARNJEKMERSNABT-XLMCQVRKSA-N 2 2 289.807 0.506 20 0 CCADLP C[C@H](C[NH+](C)C/C=C\Cl)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001420549116 923770756 /nfs/dbraw/zinc/77/07/56/923770756.db2.gz ARNJEKMERSNABT-XLMCQVRKSA-N 2 2 289.807 0.506 20 0 CCADLP [NH3+]Cc1ccc(C(=O)Nc2cc3n(n2)CC[NH2+]C3)o1 ZINC001345454566 923894520 /nfs/dbraw/zinc/89/45/20/923894520.db2.gz ZKVNBUQYZBXADO-UHFFFAOYSA-N 2 2 261.285 0.290 20 0 CCADLP COC[C@@H](C)[NH2+]CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001420726319 923906101 /nfs/dbraw/zinc/90/61/01/923906101.db2.gz KGKGVRAPNRYXEU-OLZOCXBDSA-N 2 2 282.388 0.917 20 0 CCADLP C[C@H]1CN(C(=O)NCCn2cc[nH+]c2)CC[C@H]1C[NH3+] ZINC001346150231 924086583 /nfs/dbraw/zinc/08/65/83/924086583.db2.gz KEUXXMOEPMGWFD-RYUDHWBXSA-N 2 2 265.361 0.509 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1([NH2+]Cc2cncs2)CC1 ZINC001421002605 924088128 /nfs/dbraw/zinc/08/81/28/924088128.db2.gz GHTKPHXXBJYDFU-UHFFFAOYSA-N 2 2 291.380 0.778 20 0 CCADLP CC(C)OCC[NH+]1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001421043662 924114569 /nfs/dbraw/zinc/11/45/69/924114569.db2.gz VZLDUJOWQCOLGH-HNNXBMFYSA-N 2 2 295.427 0.554 20 0 CCADLP [NH3+]CCCCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001347045753 924358739 /nfs/dbraw/zinc/35/87/39/924358739.db2.gz GYBBTZKUPVFUKB-UHFFFAOYSA-N 2 2 275.312 0.128 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001347597999 924489160 /nfs/dbraw/zinc/48/91/60/924489160.db2.gz UBCVERAJMGJIDI-DRZSPHRISA-N 2 2 262.357 0.419 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001347597999 924489165 /nfs/dbraw/zinc/48/91/65/924489165.db2.gz UBCVERAJMGJIDI-DRZSPHRISA-N 2 2 262.357 0.419 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2C[C@H]([NH3+])C(C)(C)C2)c1 ZINC001353413664 925826265 /nfs/dbraw/zinc/82/62/65/925826265.db2.gz LIINVDORNJYRHA-NSHDSACASA-N 2 2 265.361 0.341 20 0 CCADLP CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H](C[NH3+])C1CC1 ZINC001353883085 925953528 /nfs/dbraw/zinc/95/35/28/925953528.db2.gz SNHOPGXVPVKSEV-YPMHNXCESA-N 2 2 262.357 0.641 20 0 CCADLP C[NH+](C)C1(CNC(=O)Cc2c[nH]c[nH+]2)CCOCC1 ZINC001353886464 925955695 /nfs/dbraw/zinc/95/56/95/925955695.db2.gz LDYXPUIVSNAWSY-UHFFFAOYSA-N 2 2 266.345 0.179 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)CCC[NH2+]C ZINC001354854990 926175436 /nfs/dbraw/zinc/17/54/36/926175436.db2.gz WNUNCANXUYBHPS-GFCCVEGCSA-N 2 2 257.378 0.213 20 0 CCADLP C[NH2+]C1CC(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC001357397932 926525890 /nfs/dbraw/zinc/52/58/90/926525890.db2.gz XHLLTKWMVGPVIM-ZFDZMSFRSA-N 2 2 269.389 0.210 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C[NH2+]1 ZINC001357939168 926611721 /nfs/dbraw/zinc/61/17/21/926611721.db2.gz RUOTXCWGFCQFMY-IJLUTSLNSA-N 2 2 262.357 0.702 20 0 CCADLP CCc1ocnc1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001358111920 926640414 /nfs/dbraw/zinc/64/04/14/926640414.db2.gz TVVXYZFVESZVMG-UHFFFAOYSA-N 2 2 266.345 0.390 20 0 CCADLP CC(C)CC[N@@H+]1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001421377659 926712726 /nfs/dbraw/zinc/71/27/26/926712726.db2.gz AFYSRQHIYDSJRG-HNNXBMFYSA-N 2 2 294.399 0.551 20 0 CCADLP CC(C)CC[N@H+]1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001421377659 926712734 /nfs/dbraw/zinc/71/27/34/926712734.db2.gz AFYSRQHIYDSJRG-HNNXBMFYSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)C[NH2+]C[C@@H]1CCOC1 ZINC001421704786 926864390 /nfs/dbraw/zinc/86/43/90/926864390.db2.gz VOOVBOFOZDBQKY-STQMWFEESA-N 2 2 294.399 0.721 20 0 CCADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)C[NH2+]C[C@@H]1CCOC1 ZINC001421704786 926864398 /nfs/dbraw/zinc/86/43/98/926864398.db2.gz VOOVBOFOZDBQKY-STQMWFEESA-N 2 2 294.399 0.721 20 0 CCADLP C[NH+](C)C1(C(=O)NC[C@H]2COCC[N@@H+]2CC2CC2)CCC1 ZINC001421715032 926870788 /nfs/dbraw/zinc/87/07/88/926870788.db2.gz YJCNEAOMEADSOZ-AWEZNQCLSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+](C)C1(C(=O)NC[C@H]2COCC[N@H+]2CC2CC2)CCC1 ZINC001421715032 926870796 /nfs/dbraw/zinc/87/07/96/926870796.db2.gz YJCNEAOMEADSOZ-AWEZNQCLSA-N 2 2 295.427 0.698 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[N@H+](CC2CC2)CCO1 ZINC001421804026 926919727 /nfs/dbraw/zinc/91/97/27/926919727.db2.gz HHXAIQLELGULFZ-AWEZNQCLSA-N 2 2 292.383 0.419 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[N@@H+](CC2CC2)CCO1 ZINC001421804026 926919736 /nfs/dbraw/zinc/91/97/36/926919736.db2.gz HHXAIQLELGULFZ-AWEZNQCLSA-N 2 2 292.383 0.419 20 0 CCADLP CC[NH2+][C@]1(CO)CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001421979071 927024315 /nfs/dbraw/zinc/02/43/15/927024315.db2.gz KAIXMLWETDPDNU-DZGCQCFKSA-N 2 2 294.399 0.797 20 0 CCADLP CN(CC[N@H+](C)Cc1cncs1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001422241450 927169369 /nfs/dbraw/zinc/16/93/69/927169369.db2.gz ZKJCFWIMNSLIQJ-GFCCVEGCSA-N 2 2 296.440 0.985 20 0 CCADLP CN(CC[N@@H+](C)Cc1cncs1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001422241450 927169375 /nfs/dbraw/zinc/16/93/75/927169375.db2.gz ZKJCFWIMNSLIQJ-GFCCVEGCSA-N 2 2 296.440 0.985 20 0 CCADLP CN(CC[NH+](C)Cc1cncs1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001422241450 927169383 /nfs/dbraw/zinc/16/93/83/927169383.db2.gz ZKJCFWIMNSLIQJ-GFCCVEGCSA-N 2 2 296.440 0.985 20 0 CCADLP CN(CC[NH+](C)Cc1cncs1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001422241450 927169393 /nfs/dbraw/zinc/16/93/93/927169393.db2.gz ZKJCFWIMNSLIQJ-GFCCVEGCSA-N 2 2 296.440 0.985 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)CC[NH+]1CC[C@H](F)C1 ZINC001361800193 927343047 /nfs/dbraw/zinc/34/30/47/927343047.db2.gz ZITBISJVHQCVGL-STQMWFEESA-N 2 2 287.379 0.257 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)CC[NH+]1CC[C@H](F)C1 ZINC001361800193 927343060 /nfs/dbraw/zinc/34/30/60/927343060.db2.gz ZITBISJVHQCVGL-STQMWFEESA-N 2 2 287.379 0.257 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001361800193 927343073 /nfs/dbraw/zinc/34/30/73/927343073.db2.gz ZITBISJVHQCVGL-STQMWFEESA-N 2 2 287.379 0.257 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)CC[N@H+]1CC[C@H](F)C1 ZINC001361800193 927343086 /nfs/dbraw/zinc/34/30/86/927343086.db2.gz ZITBISJVHQCVGL-STQMWFEESA-N 2 2 287.379 0.257 20 0 CCADLP CCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001422649319 927435076 /nfs/dbraw/zinc/43/50/76/927435076.db2.gz YTVKKBJXCJMIOX-AWEZNQCLSA-N 2 2 297.443 0.824 20 0 CCADLP CCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001422649319 927435089 /nfs/dbraw/zinc/43/50/89/927435089.db2.gz YTVKKBJXCJMIOX-AWEZNQCLSA-N 2 2 297.443 0.824 20 0 CCADLP Cc1conc1C[NH+]1CC([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001422737694 927481939 /nfs/dbraw/zinc/48/19/39/927481939.db2.gz YSXSSPYOPZUTGP-LBPRGKRZSA-N 2 2 294.399 0.871 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC1[C@H]2C[N@H+](C/C=C/Cl)C[C@@H]12 ZINC001422819597 927535459 /nfs/dbraw/zinc/53/54/59/927535459.db2.gz GZNKPYOHWNKHEY-VOSUWGKHSA-N 2 2 294.786 0.999 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC1[C@H]2C[N@@H+](C/C=C/Cl)C[C@@H]12 ZINC001422819597 927535470 /nfs/dbraw/zinc/53/54/70/927535470.db2.gz GZNKPYOHWNKHEY-VOSUWGKHSA-N 2 2 294.786 0.999 20 0 CCADLP C[C@H](C[N@H+](C)[C@H](C)c1ncccn1)NC(=O)CC[NH+](C)C ZINC001422886156 927572023 /nfs/dbraw/zinc/57/20/23/927572023.db2.gz NZMFZFWDVVAWLA-CHWSQXEVSA-N 2 2 293.415 0.926 20 0 CCADLP C[C@H](C[N@@H+](C)[C@H](C)c1ncccn1)NC(=O)CC[NH+](C)C ZINC001422886156 927572027 /nfs/dbraw/zinc/57/20/27/927572027.db2.gz NZMFZFWDVVAWLA-CHWSQXEVSA-N 2 2 293.415 0.926 20 0 CCADLP C[C@H](C[N@H+](C)CC(N)=O)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001422890261 927573336 /nfs/dbraw/zinc/57/33/36/927573336.db2.gz JPFVCMZORSOKKZ-CHWSQXEVSA-N 2 2 298.431 0.173 20 0 CCADLP C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001422890261 927573340 /nfs/dbraw/zinc/57/33/40/927573340.db2.gz JPFVCMZORSOKKZ-CHWSQXEVSA-N 2 2 298.431 0.173 20 0 CCADLP C[C@@H](O)C[NH2+][C@H](C)CN(C)C(=O)CCCn1cc[nH+]c1 ZINC001423180497 927716220 /nfs/dbraw/zinc/71/62/20/927716220.db2.gz CKJKLGORTHHEIW-CHWSQXEVSA-N 2 2 282.388 0.481 20 0 CCADLP CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001423446682 927866732 /nfs/dbraw/zinc/86/67/32/927866732.db2.gz PDIJKNMMVZSHNJ-KBPBESRZSA-N 2 2 296.415 0.899 20 0 CCADLP C[NH+]1CCC(O)(CNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001362339760 927897352 /nfs/dbraw/zinc/89/73/52/927897352.db2.gz RLTBXCNBSWLTPV-UHFFFAOYSA-N 2 2 288.351 0.521 20 0 CCADLP C[C@@H]([NH2+]CCF)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001423957225 928044426 /nfs/dbraw/zinc/04/44/26/928044426.db2.gz VEFYXBYTOTUUPJ-NEPJUHHUSA-N 2 2 282.363 0.759 20 0 CCADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](C)CC[NH+](C)C ZINC001362482132 928076971 /nfs/dbraw/zinc/07/69/71/928076971.db2.gz IOJMBCHQGJREMS-PWSUYJOCSA-N 2 2 296.371 0.198 20 0 CCADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](C)CC[NH+](C)C ZINC001362482132 928076982 /nfs/dbraw/zinc/07/69/82/928076982.db2.gz IOJMBCHQGJREMS-PWSUYJOCSA-N 2 2 296.371 0.198 20 0 CCADLP CN(CCC[N@H+](C)CCO)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001424299949 928155854 /nfs/dbraw/zinc/15/58/54/928155854.db2.gz BJXUZAXMJJRJDF-UHFFFAOYSA-N 2 2 290.367 0.949 20 0 CCADLP CN(CCC[N@@H+](C)CCO)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001424299949 928155862 /nfs/dbraw/zinc/15/58/62/928155862.db2.gz BJXUZAXMJJRJDF-UHFFFAOYSA-N 2 2 290.367 0.949 20 0 CCADLP C[C@H](O)C[NH2+]CC(C)(C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001424903545 928337259 /nfs/dbraw/zinc/33/72/59/928337259.db2.gz WSMZTLXAJGBNST-LBPRGKRZSA-N 2 2 282.388 0.338 20 0 CCADLP CC(C)[C@H](CCN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]C[C@@H](C)O ZINC001425157808 928448876 /nfs/dbraw/zinc/44/88/76/928448876.db2.gz GPTHLZWTAFIKRZ-OLZOCXBDSA-N 2 2 296.415 0.796 20 0 CCADLP CC(C)[C@H](CCN(C)C(=O)Cn1cc[nH+]c1)[NH2+]C[C@H](C)O ZINC001425166791 928451019 /nfs/dbraw/zinc/45/10/19/928451019.db2.gz VPGQWHMDKOUOGY-KBPBESRZSA-N 2 2 296.415 0.727 20 0 CCADLP CC(C)C[C@H](C(=O)NC[C@@H](CO)[NH2+]C(C)C)n1cc[nH+]c1 ZINC001425758506 928660209 /nfs/dbraw/zinc/66/02/09/928660209.db2.gz GSKYKGXEIKAWPG-UONOGXRCSA-N 2 2 296.415 0.945 20 0 CCADLP CC(C)(C)CC[NH2+][C@H](CO)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001425761486 928662148 /nfs/dbraw/zinc/66/21/48/928662148.db2.gz QMXWYWKOHLEFAT-ZDUSSCGKSA-N 2 2 296.415 0.845 20 0 CCADLP CC(C)(C)CC[NH2+][C@H](CO)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001425761486 928662156 /nfs/dbraw/zinc/66/21/56/928662156.db2.gz QMXWYWKOHLEFAT-ZDUSSCGKSA-N 2 2 296.415 0.845 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC001425952364 928712524 /nfs/dbraw/zinc/71/25/24/928712524.db2.gz IMWLUYDSABCMNC-AAEUAGOBSA-N 2 2 294.399 0.814 20 0 CCADLP C[N@@H+]1C[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC001362991587 928735168 /nfs/dbraw/zinc/73/51/68/928735168.db2.gz STXHWXCRGCJGRJ-RYUDHWBXSA-N 2 2 276.384 0.902 20 0 CCADLP C[N@H+]1C[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC001362991587 928735180 /nfs/dbraw/zinc/73/51/80/928735180.db2.gz STXHWXCRGCJGRJ-RYUDHWBXSA-N 2 2 276.384 0.902 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC001363178873 928949587 /nfs/dbraw/zinc/94/95/87/928949587.db2.gz RXGRVGQDBUIPNV-KFWWJZLASA-N 2 2 297.443 0.896 20 0 CCADLP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N3CC[NH+](C)[C@H](CO)C3)C[N@@H+]2C1 ZINC001363231529 929002441 /nfs/dbraw/zinc/00/24/41/929002441.db2.gz IJFROZHOGPFQDO-KBXIAJHMSA-N 2 2 295.427 0.242 20 0 CCADLP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N3CC[NH+](C)[C@H](CO)C3)C[N@H+]2C1 ZINC001363231529 929002447 /nfs/dbraw/zinc/00/24/47/929002447.db2.gz IJFROZHOGPFQDO-KBXIAJHMSA-N 2 2 295.427 0.242 20 0 CCADLP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N3CC[N@H+](C)[C@H](CO)C3)C[NH+]2C1 ZINC001363231529 929002459 /nfs/dbraw/zinc/00/24/59/929002459.db2.gz IJFROZHOGPFQDO-KBXIAJHMSA-N 2 2 295.427 0.242 20 0 CCADLP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N3CC[N@@H+](C)[C@H](CO)C3)C[NH+]2C1 ZINC001363231529 929002473 /nfs/dbraw/zinc/00/24/73/929002473.db2.gz IJFROZHOGPFQDO-KBXIAJHMSA-N 2 2 295.427 0.242 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H](C(=O)N[C@@H](CO)c2c[nH+]cn2C)C1 ZINC001363321113 929112118 /nfs/dbraw/zinc/11/21/18/929112118.db2.gz KBJWCVMHYHHTMQ-STQMWFEESA-N 2 2 294.399 0.690 20 0 CCADLP CC(C)[N@H+]1CCC[C@H](C(=O)N[C@@H](CO)c2c[nH+]cn2C)C1 ZINC001363321113 929112127 /nfs/dbraw/zinc/11/21/27/929112127.db2.gz KBJWCVMHYHHTMQ-STQMWFEESA-N 2 2 294.399 0.690 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH+](C)Cc1cncn1C ZINC001372193896 929761976 /nfs/dbraw/zinc/76/19/76/929761976.db2.gz YGVLSNZGHKMSHG-UHFFFAOYSA-N 2 2 281.404 0.310 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH+](C)Cc1cncn1C ZINC001372193896 929761983 /nfs/dbraw/zinc/76/19/83/929761983.db2.gz YGVLSNZGHKMSHG-UHFFFAOYSA-N 2 2 281.404 0.310 20 0 CCADLP CCC[NH+](C)CC(=O)NCC[N@H+](C)Cc1cncn1C ZINC001372193896 929761996 /nfs/dbraw/zinc/76/19/96/929761996.db2.gz YGVLSNZGHKMSHG-UHFFFAOYSA-N 2 2 281.404 0.310 20 0 CCADLP CCC[NH+](C)CC(=O)NCC[N@@H+](C)Cc1cncn1C ZINC001372193896 929762005 /nfs/dbraw/zinc/76/20/05/929762005.db2.gz YGVLSNZGHKMSHG-UHFFFAOYSA-N 2 2 281.404 0.310 20 0 CCADLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]C[C@H]1CCOC1 ZINC001444000129 929762965 /nfs/dbraw/zinc/76/29/65/929762965.db2.gz DKEFVFIGZDCZNF-VXGBXAGGSA-N 2 2 280.372 0.473 20 0 CCADLP CC[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C[C@H]1CCCCO1 ZINC001372445658 929837523 /nfs/dbraw/zinc/83/75/23/929837523.db2.gz NPHVJUYQDFOCKZ-CYBMUJFWSA-N 2 2 294.399 0.959 20 0 CCADLP CC[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C[C@H]1CCCCO1 ZINC001372445658 929837530 /nfs/dbraw/zinc/83/75/30/929837530.db2.gz NPHVJUYQDFOCKZ-CYBMUJFWSA-N 2 2 294.399 0.959 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C)n1 ZINC001444670398 929929050 /nfs/dbraw/zinc/92/90/50/929929050.db2.gz RZCPUWAHQIIOPX-GHMZBOCLSA-N 2 2 297.403 0.827 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CCO ZINC001444896690 929967517 /nfs/dbraw/zinc/96/75/17/929967517.db2.gz SWQPWNHRFVKCFY-GXTWGEPZSA-N 2 2 294.399 0.168 20 0 CCADLP COC[C@@H](C)[NH2+]CCN(C)C(=O)CCc1c[nH+]cn1C ZINC001372975936 930035537 /nfs/dbraw/zinc/03/55/37/930035537.db2.gz IPZWEHSRRUOBCA-GFCCVEGCSA-N 2 2 282.388 0.436 20 0 CCADLP COC[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001373303599 930133627 /nfs/dbraw/zinc/13/36/27/930133627.db2.gz YGYCMZJGDIXJCX-CHWSQXEVSA-N 2 2 294.399 0.767 20 0 CCADLP COC[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001373303599 930133633 /nfs/dbraw/zinc/13/36/33/930133633.db2.gz YGYCMZJGDIXJCX-CHWSQXEVSA-N 2 2 294.399 0.767 20 0 CCADLP Cc1cc(C[NH2+]C[C@H](C)NC(=O)Cn2c[nH+]cc2C)no1 ZINC001445580892 930176682 /nfs/dbraw/zinc/17/66/82/930176682.db2.gz GIQHSBHHPJGKCP-JTQLQIEISA-N 2 2 291.355 0.782 20 0 CCADLP CC(C)[C@H](C(=O)NC1C[NH+](C[C@@H](C)O)C1)[NH+]1CCCC1 ZINC001373490313 930216849 /nfs/dbraw/zinc/21/68/49/930216849.db2.gz QZNXNRQDVHPBOX-TZMCWYRMSA-N 2 2 283.416 0.288 20 0 CCADLP C[N@H+](CC(=O)N[C@H]1CC[NH+](CCO)C1)Cc1ccccc1 ZINC001373619107 930272733 /nfs/dbraw/zinc/27/27/33/930272733.db2.gz ZUXCSHJNFOTAKT-HNNXBMFYSA-N 2 2 291.395 0.301 20 0 CCADLP C[N@@H+](CC(=O)N[C@H]1CC[NH+](CCO)C1)Cc1ccccc1 ZINC001373619107 930272744 /nfs/dbraw/zinc/27/27/44/930272744.db2.gz ZUXCSHJNFOTAKT-HNNXBMFYSA-N 2 2 291.395 0.301 20 0 CCADLP C[NH+](CC(=O)N[C@H]1CC[N@H+](CCO)C1)Cc1ccccc1 ZINC001373619107 930272749 /nfs/dbraw/zinc/27/27/49/930272749.db2.gz ZUXCSHJNFOTAKT-HNNXBMFYSA-N 2 2 291.395 0.301 20 0 CCADLP C[NH+](CC(=O)N[C@H]1CC[N@@H+](CCO)C1)Cc1ccccc1 ZINC001373619107 930272755 /nfs/dbraw/zinc/27/27/55/930272755.db2.gz ZUXCSHJNFOTAKT-HNNXBMFYSA-N 2 2 291.395 0.301 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC(=O)NC ZINC001445885847 930279585 /nfs/dbraw/zinc/27/95/85/930279585.db2.gz RNMGEPQATXCNSH-STQMWFEESA-N 2 2 298.431 0.043 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC(=O)NC ZINC001445885847 930279593 /nfs/dbraw/zinc/27/95/93/930279593.db2.gz RNMGEPQATXCNSH-STQMWFEESA-N 2 2 298.431 0.043 20 0 CCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC ZINC001445885847 930279606 /nfs/dbraw/zinc/27/96/06/930279606.db2.gz RNMGEPQATXCNSH-STQMWFEESA-N 2 2 298.431 0.043 20 0 CCADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC ZINC001445885847 930279609 /nfs/dbraw/zinc/27/96/09/930279609.db2.gz RNMGEPQATXCNSH-STQMWFEESA-N 2 2 298.431 0.043 20 0 CCADLP CO[C@@H](C)C[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001446265438 930380012 /nfs/dbraw/zinc/38/00/12/930380012.db2.gz IDWVXYJPPZWQJI-NSHDSACASA-N 2 2 280.372 0.236 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001446548488 930434357 /nfs/dbraw/zinc/43/43/57/930434357.db2.gz YOTJMJWOVDZCGR-HIFRSBDPSA-N 2 2 294.399 0.889 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001446548488 930434364 /nfs/dbraw/zinc/43/43/64/930434364.db2.gz YOTJMJWOVDZCGR-HIFRSBDPSA-N 2 2 294.399 0.889 20 0 CCADLP CC[C@H](C(=O)N(C)CC[N@H+](C)Cc1cncn1C)[NH+](C)C ZINC001374509490 930538135 /nfs/dbraw/zinc/53/81/35/930538135.db2.gz YKAROVARFMKBII-CQSZACIVSA-N 2 2 295.431 0.651 20 0 CCADLP CC[C@H](C(=O)N(C)CC[N@@H+](C)Cc1cncn1C)[NH+](C)C ZINC001374509490 930538143 /nfs/dbraw/zinc/53/81/43/930538143.db2.gz YKAROVARFMKBII-CQSZACIVSA-N 2 2 295.431 0.651 20 0 CCADLP CC(C)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001374617900 930597645 /nfs/dbraw/zinc/59/76/45/930597645.db2.gz NBHCMCUTIQCWIG-STQMWFEESA-N 2 2 294.399 0.168 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@](CO)([NH2+]CC2CC2)C1 ZINC001447465893 930637166 /nfs/dbraw/zinc/63/71/66/930637166.db2.gz XWDRESMZTZDBCV-HNNXBMFYSA-N 2 2 292.383 0.305 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(O)(C[NH2+]C(C)C)CC1 ZINC001447608289 930668124 /nfs/dbraw/zinc/66/81/24/930668124.db2.gz AVMZLYDUVOZCNY-UHFFFAOYSA-N 2 2 294.399 0.612 20 0 CCADLP C[C@@H](O)C[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001447786739 930715271 /nfs/dbraw/zinc/71/52/71/930715271.db2.gz QNXBCKGJRMSVCM-NEPJUHHUSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001447786739 930715279 /nfs/dbraw/zinc/71/52/79/930715279.db2.gz QNXBCKGJRMSVCM-NEPJUHHUSA-N 2 2 280.372 0.256 20 0 CCADLP Cc1nonc1C[NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001374976514 930741549 /nfs/dbraw/zinc/74/15/49/930741549.db2.gz IQOGPBGLCCPTPR-JTQLQIEISA-N 2 2 281.360 0.068 20 0 CCADLP COCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001448046906 930798668 /nfs/dbraw/zinc/79/86/68/930798668.db2.gz NZBSORBRGJSSSA-STQMWFEESA-N 2 2 294.399 0.528 20 0 CCADLP COCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001448046906 930798676 /nfs/dbraw/zinc/79/86/76/930798676.db2.gz NZBSORBRGJSSSA-STQMWFEESA-N 2 2 294.399 0.528 20 0 CCADLP CO[C@@H](C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001448436758 930888615 /nfs/dbraw/zinc/88/86/15/930888615.db2.gz GCMDQYAZJGUUDI-DOERSZECSA-N 2 2 292.383 0.281 20 0 CCADLP CO[C@@H](C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001448436758 930888622 /nfs/dbraw/zinc/88/86/22/930888622.db2.gz GCMDQYAZJGUUDI-DOERSZECSA-N 2 2 292.383 0.281 20 0 CCADLP CC[N@H+](C)CCC(=O)N(C)C1C[NH+](CCn2cccn2)C1 ZINC001375720662 930960071 /nfs/dbraw/zinc/96/00/71/930960071.db2.gz RIJWUPXOJZUCLF-UHFFFAOYSA-N 2 2 293.415 0.368 20 0 CCADLP CC[N@@H+](C)CCC(=O)N(C)C1C[NH+](CCn2cccn2)C1 ZINC001375720662 930960075 /nfs/dbraw/zinc/96/00/75/930960075.db2.gz RIJWUPXOJZUCLF-UHFFFAOYSA-N 2 2 293.415 0.368 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](C)[NH2+]C[C@@H]1CCOC1 ZINC001448789302 930984940 /nfs/dbraw/zinc/98/49/40/930984940.db2.gz RNNMMTSMJLUQKP-AAEUAGOBSA-N 2 2 294.399 0.734 20 0 CCADLP CC[C@@H](C)C[NH2+][C@@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001448948169 931032531 /nfs/dbraw/zinc/03/25/31/931032531.db2.gz PSWJZZTYNGFTIU-VXGBXAGGSA-N 2 2 282.388 0.075 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](CO)[NH2+]CC1CCCC1 ZINC001448947034 931032841 /nfs/dbraw/zinc/03/28/41/931032841.db2.gz MJQRJYFZDHIQSS-ZDUSSCGKSA-N 2 2 294.399 0.220 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001376126895 931059116 /nfs/dbraw/zinc/05/91/16/931059116.db2.gz BFKGLBBQUVOWPU-WCQYABFASA-N 2 2 280.372 0.568 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001376126895 931059124 /nfs/dbraw/zinc/05/91/24/931059124.db2.gz BFKGLBBQUVOWPU-WCQYABFASA-N 2 2 280.372 0.568 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001376126895 931059132 /nfs/dbraw/zinc/05/91/32/931059132.db2.gz BFKGLBBQUVOWPU-WCQYABFASA-N 2 2 280.372 0.568 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001376126895 931059135 /nfs/dbraw/zinc/05/91/35/931059135.db2.gz BFKGLBBQUVOWPU-WCQYABFASA-N 2 2 280.372 0.568 20 0 CCADLP Cn1ccc(C[N@@H+]2CC[C@H](NC(=O)CCC[NH+](C)C)C2)n1 ZINC001376145971 931069989 /nfs/dbraw/zinc/06/99/89/931069989.db2.gz CYCZEXYYMCTIHD-ZDUSSCGKSA-N 2 2 293.415 0.452 20 0 CCADLP Cn1ccc(C[N@H+]2CC[C@H](NC(=O)CCC[NH+](C)C)C2)n1 ZINC001376145971 931069992 /nfs/dbraw/zinc/06/99/92/931069992.db2.gz CYCZEXYYMCTIHD-ZDUSSCGKSA-N 2 2 293.415 0.452 20 0 CCADLP CO[C@@H](C[NH2+][C@H](C)CNC(=O)Cc1[nH]cc[nH+]1)C1CCC1 ZINC001376833611 931298336 /nfs/dbraw/zinc/29/83/36/931298336.db2.gz JWDPFUNTYRZFRP-YPMHNXCESA-N 2 2 294.399 0.862 20 0 CCADLP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@@H](C)c1nnc(C)o1 ZINC001376839980 931299329 /nfs/dbraw/zinc/29/93/29/931299329.db2.gz KDVSWIVVDQWNAH-QWRGUYRKSA-N 2 2 297.403 0.875 20 0 CCADLP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@@H](C)c1nnc(C)o1 ZINC001376839980 931299338 /nfs/dbraw/zinc/29/93/38/931299338.db2.gz KDVSWIVVDQWNAH-QWRGUYRKSA-N 2 2 297.403 0.875 20 0 CCADLP C[C@H](CCNC(=O)c1cccc2[nH+]ccn21)[NH2+]CCO ZINC001377043620 931365524 /nfs/dbraw/zinc/36/55/24/931365524.db2.gz MKFRLHMYXPLZHS-LLVKDONJSA-N 2 2 276.340 0.425 20 0 CCADLP C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124428114 187137239 /nfs/dbraw/zinc/13/72/39/187137239.db2.gz LBRBMTFCUXTGQH-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124428114 187137240 /nfs/dbraw/zinc/13/72/40/187137240.db2.gz LBRBMTFCUXTGQH-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP CCNS(=O)(=O)[C@@H]1CC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000092842390 349507060 /nfs/dbraw/zinc/50/70/60/349507060.db2.gz MJLNYJOIWHFMLZ-GFCCVEGCSA-N 2 2 286.401 0.205 20 0 CCADLP CCNS(=O)(=O)[C@@H]1CC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000092842390 349507063 /nfs/dbraw/zinc/50/70/63/349507063.db2.gz MJLNYJOIWHFMLZ-GFCCVEGCSA-N 2 2 286.401 0.205 20 0 CCADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000092955603 349515657 /nfs/dbraw/zinc/51/56/57/349515657.db2.gz GEPOZCSLSLKZIY-NEPJUHHUSA-N 2 2 269.389 0.211 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@H+]2CC(=O)N(C)[C@H](C)C2)CC1 ZINC000337475592 214107661 /nfs/dbraw/zinc/10/76/61/214107661.db2.gz YFJBHNCKYXXXRI-OAHLLOKOSA-N 2 2 296.459 0.565 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CC(=O)N(C)[C@H](C)C2)CC1 ZINC000337475592 214107663 /nfs/dbraw/zinc/10/76/63/214107663.db2.gz YFJBHNCKYXXXRI-OAHLLOKOSA-N 2 2 296.459 0.565 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000337475377 214105338 /nfs/dbraw/zinc/10/53/38/214105338.db2.gz XYZBHLBLRRNPSW-KBPBESRZSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000337475377 214105340 /nfs/dbraw/zinc/10/53/40/214105340.db2.gz XYZBHLBLRRNPSW-KBPBESRZSA-N 2 2 295.427 0.698 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](CCCn2cc[nH+]c2C)C[C@@H](C)O1 ZINC000599601640 361756396 /nfs/dbraw/zinc/75/63/96/361756396.db2.gz GOXYWIWMQSDWSY-YPMHNXCESA-N 2 2 281.356 0.844 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](CCCn2cc[nH+]c2C)C[C@@H](C)O1 ZINC000599601640 361756404 /nfs/dbraw/zinc/75/64/04/361756404.db2.gz GOXYWIWMQSDWSY-YPMHNXCESA-N 2 2 281.356 0.844 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)CC1 ZINC000093190856 349529515 /nfs/dbraw/zinc/52/95/15/349529515.db2.gz DMCSUGNXTLNQLM-CABCVRRESA-N 3 2 294.443 0.177 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)CC1 ZINC000093190856 349529518 /nfs/dbraw/zinc/52/95/18/349529518.db2.gz DMCSUGNXTLNQLM-CABCVRRESA-N 3 2 294.443 0.177 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000093190856 349529521 /nfs/dbraw/zinc/52/95/21/349529521.db2.gz DMCSUGNXTLNQLM-CABCVRRESA-N 3 2 294.443 0.177 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000093190856 349529523 /nfs/dbraw/zinc/52/95/23/349529523.db2.gz DMCSUGNXTLNQLM-CABCVRRESA-N 3 2 294.443 0.177 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093177765 349530142 /nfs/dbraw/zinc/53/01/42/349530142.db2.gz BWXBSPOLUHQRCX-OLZOCXBDSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093177765 349530146 /nfs/dbraw/zinc/53/01/46/349530146.db2.gz BWXBSPOLUHQRCX-OLZOCXBDSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000093168587 349528160 /nfs/dbraw/zinc/52/81/60/349528160.db2.gz JCVDTHCMONVKGN-ZDUSSCGKSA-N 2 2 253.390 0.882 20 0 CCADLP C[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000093168587 349528164 /nfs/dbraw/zinc/52/81/64/349528164.db2.gz JCVDTHCMONVKGN-ZDUSSCGKSA-N 2 2 253.390 0.882 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000337583785 214168486 /nfs/dbraw/zinc/16/84/86/214168486.db2.gz JYTQECRFOMGNPH-UONOGXRCSA-N 2 2 274.368 0.649 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000337583785 214168487 /nfs/dbraw/zinc/16/84/87/214168487.db2.gz JYTQECRFOMGNPH-UONOGXRCSA-N 2 2 274.368 0.649 20 0 CCADLP Cc1cc2ncc([C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)c(C)n2n1 ZINC000093406047 349541421 /nfs/dbraw/zinc/54/14/21/349541421.db2.gz QMPXSSFINONANZ-WCQYABFASA-N 2 2 291.399 0.919 20 0 CCADLP CC[C@]1(C(=O)N(C)CC[NH+]2CCOCC2)CCC[NH2+]1 ZINC000423750102 529386401 /nfs/dbraw/zinc/38/64/01/529386401.db2.gz SKVIFNWFUOOSFN-CQSZACIVSA-N 2 2 269.389 0.309 20 0 CCADLP CC[NH+](CC)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000096785732 349623288 /nfs/dbraw/zinc/62/32/88/349623288.db2.gz JZUKVGWJSPDZHN-GFCCVEGCSA-N 2 2 264.373 0.904 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000418604333 529392325 /nfs/dbraw/zinc/39/23/25/529392325.db2.gz OPCHECHNGMYYFP-MGPQQGTHSA-N 2 2 298.431 0.537 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CCO1 ZINC000418604333 529392328 /nfs/dbraw/zinc/39/23/28/529392328.db2.gz OPCHECHNGMYYFP-MGPQQGTHSA-N 2 2 298.431 0.537 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000104161222 349709898 /nfs/dbraw/zinc/70/98/98/349709898.db2.gz DNWUOKWCHZOTLR-GFCCVEGCSA-N 2 2 258.325 0.779 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000449608209 529567183 /nfs/dbraw/zinc/56/71/83/529567183.db2.gz FXQPAHDOSNOFET-OAHLLOKOSA-N 2 2 291.395 0.986 20 0 CCADLP CN(C(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000107574198 349738655 /nfs/dbraw/zinc/73/86/55/349738655.db2.gz AGIIJXLGRTYIQE-STQMWFEESA-N 2 2 259.353 0.801 20 0 CCADLP COC(=O)c1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000107575481 349738715 /nfs/dbraw/zinc/73/87/15/349738715.db2.gz QRQGSTBKFSDXOE-NXEZZACHSA-N 2 2 250.298 0.717 20 0 CCADLP CN(Cc1ccco1)C(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107575537 349738897 /nfs/dbraw/zinc/73/88/97/349738897.db2.gz YNIZPMVURDQFJE-VXGBXAGGSA-N 2 2 263.341 0.389 20 0 CCADLP C[C@H]([NH3+])C1CC[NH+](Cc2nc(N)nc(N(C)C)n2)CC1 ZINC000110649113 349761365 /nfs/dbraw/zinc/76/13/65/349761365.db2.gz XRRIHZXCQVIRNY-VIFPVBQESA-N 2 2 279.392 0.079 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC(=O)NC1CC1 ZINC000371301928 282214854 /nfs/dbraw/zinc/21/48/54/282214854.db2.gz WOOXEFLLKATCTE-MCIONIFRSA-N 2 2 281.400 0.449 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC(=O)NC1CC1 ZINC000371301928 282214858 /nfs/dbraw/zinc/21/48/58/282214858.db2.gz WOOXEFLLKATCTE-MCIONIFRSA-N 2 2 281.400 0.449 20 0 CCADLP Cn1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cn1 ZINC000112839533 349794393 /nfs/dbraw/zinc/79/43/93/349794393.db2.gz ZVKKIZOPFWDHFM-CHWSQXEVSA-N 2 2 250.346 0.373 20 0 CCADLP Cn1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cn1 ZINC000112839533 349794394 /nfs/dbraw/zinc/79/43/94/349794394.db2.gz ZVKKIZOPFWDHFM-CHWSQXEVSA-N 2 2 250.346 0.373 20 0 CCADLP Cc1cncc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000600710671 362041890 /nfs/dbraw/zinc/04/18/90/362041890.db2.gz QCBBIBZZVHZGMF-OLZOCXBDSA-N 2 2 260.341 0.134 20 0 CCADLP Cc1cncc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000600710671 362041894 /nfs/dbraw/zinc/04/18/94/362041894.db2.gz QCBBIBZZVHZGMF-OLZOCXBDSA-N 2 2 260.341 0.134 20 0 CCADLP C[NH+]1CCN(CC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000600989492 362120420 /nfs/dbraw/zinc/12/04/20/362120420.db2.gz NUDYEJVXMNSZEO-CYBMUJFWSA-N 2 2 291.399 0.363 20 0 CCADLP C[NH+]1CCN(CC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000600997162 362122207 /nfs/dbraw/zinc/12/22/07/362122207.db2.gz VQRIRBZDAKCZTJ-CQSZACIVSA-N 2 2 291.399 0.294 20 0 CCADLP CC1CC[NH+](CC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000617731255 365740897 /nfs/dbraw/zinc/74/08/97/365740897.db2.gz XLXDKLIIRGCSRS-LSDHHAIUSA-N 2 2 297.443 0.944 20 0 CCADLP CC1CC[NH+](CC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000617731255 365740903 /nfs/dbraw/zinc/74/09/03/365740903.db2.gz XLXDKLIIRGCSRS-LSDHHAIUSA-N 2 2 297.443 0.944 20 0 CCADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000601294087 362207053 /nfs/dbraw/zinc/20/70/53/362207053.db2.gz MZQSVKJHRJLREG-NOOOWODRSA-N 2 2 285.388 0.125 20 0 CCADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000601294087 362207056 /nfs/dbraw/zinc/20/70/56/362207056.db2.gz MZQSVKJHRJLREG-NOOOWODRSA-N 2 2 285.388 0.125 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH+]1C[C@H](C)OC[C@H]1C ZINC000617734063 365745261 /nfs/dbraw/zinc/74/52/61/365745261.db2.gz ZQONHSCOKKMIHY-OLZOCXBDSA-N 2 2 271.405 0.554 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH+]1C[C@H](C)OC[C@H]1C ZINC000617734063 365745266 /nfs/dbraw/zinc/74/52/66/365745266.db2.gz ZQONHSCOKKMIHY-OLZOCXBDSA-N 2 2 271.405 0.554 20 0 CCADLP CCC[NH+](C)CC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000617734063 365745273 /nfs/dbraw/zinc/74/52/73/365745273.db2.gz ZQONHSCOKKMIHY-OLZOCXBDSA-N 2 2 271.405 0.554 20 0 CCADLP CCC[NH+](C)CC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000617734063 365745278 /nfs/dbraw/zinc/74/52/78/365745278.db2.gz ZQONHSCOKKMIHY-OLZOCXBDSA-N 2 2 271.405 0.554 20 0 CCADLP C[C@@H](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH+](C)C ZINC000617754840 365757324 /nfs/dbraw/zinc/75/73/24/365757324.db2.gz BLHKYXVPPPRJDG-NWDGAFQWSA-N 2 2 264.373 0.902 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccsn1 ZINC000617762275 365764552 /nfs/dbraw/zinc/76/45/52/365764552.db2.gz LKASBFNTKXSVQP-UHFFFAOYSA-N 2 2 270.402 0.756 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccsn1 ZINC000617762275 365764558 /nfs/dbraw/zinc/76/45/58/365764558.db2.gz LKASBFNTKXSVQP-UHFFFAOYSA-N 2 2 270.402 0.756 20 0 CCADLP COc1ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)o1 ZINC000617763185 365766031 /nfs/dbraw/zinc/76/60/31/365766031.db2.gz INDNLJUBBUFXMA-UHFFFAOYSA-N 2 2 283.372 0.902 20 0 CCADLP COc1ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)o1 ZINC000617763185 365766039 /nfs/dbraw/zinc/76/60/39/365766039.db2.gz INDNLJUBBUFXMA-UHFFFAOYSA-N 2 2 283.372 0.902 20 0 CCADLP Cn1nccc1CCC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764886 365769330 /nfs/dbraw/zinc/76/93/30/365769330.db2.gz KGGLMONRKRQMBF-UHFFFAOYSA-N 2 2 295.431 0.352 20 0 CCADLP Cn1nccc1CCC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764886 365769336 /nfs/dbraw/zinc/76/93/36/365769336.db2.gz KGGLMONRKRQMBF-UHFFFAOYSA-N 2 2 295.431 0.352 20 0 CCADLP Cc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cnn1 ZINC000617765156 365769520 /nfs/dbraw/zinc/76/95/20/365769520.db2.gz VUIDLYZAAQMDJL-UHFFFAOYSA-N 2 2 279.388 0.398 20 0 CCADLP Cc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cnn1 ZINC000617765156 365769528 /nfs/dbraw/zinc/76/95/28/365769528.db2.gz VUIDLYZAAQMDJL-UHFFFAOYSA-N 2 2 279.388 0.398 20 0 CCADLP COCc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)no1 ZINC000617766327 365771482 /nfs/dbraw/zinc/77/14/82/365771482.db2.gz GNTFRJOWCRGKCO-UHFFFAOYSA-N 2 2 298.387 0.434 20 0 CCADLP COCc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)no1 ZINC000617766327 365771486 /nfs/dbraw/zinc/77/14/86/365771486.db2.gz GNTFRJOWCRGKCO-UHFFFAOYSA-N 2 2 298.387 0.434 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114198709 349823950 /nfs/dbraw/zinc/82/39/50/349823950.db2.gz AIAXCRZNDWAPHS-WDEREUQCSA-N 2 2 282.388 0.247 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114198709 349823952 /nfs/dbraw/zinc/82/39/52/349823952.db2.gz AIAXCRZNDWAPHS-WDEREUQCSA-N 2 2 282.388 0.247 20 0 CCADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000423871565 529788602 /nfs/dbraw/zinc/78/86/02/529788602.db2.gz PTEYUEINMWTWLM-ILXRZTDVSA-N 2 2 295.427 0.683 20 0 CCADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000423871565 529788604 /nfs/dbraw/zinc/78/86/04/529788604.db2.gz PTEYUEINMWTWLM-ILXRZTDVSA-N 2 2 295.427 0.683 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C1 ZINC000423742149 529789787 /nfs/dbraw/zinc/78/97/87/529789787.db2.gz IONFONDSPQFAST-GZBFAFLISA-N 2 2 281.400 0.213 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C1 ZINC000423742149 529789789 /nfs/dbraw/zinc/78/97/89/529789789.db2.gz IONFONDSPQFAST-GZBFAFLISA-N 2 2 281.400 0.213 20 0 CCADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)[C@H]2CC[NH2+]2)C1 ZINC000423930281 529815193 /nfs/dbraw/zinc/81/51/93/529815193.db2.gz NXNCZVGEVHTUBQ-VXGBXAGGSA-N 2 2 290.367 0.489 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CC2CC[NH+](CCO)CC2)n1C ZINC000425351082 529809427 /nfs/dbraw/zinc/80/94/27/529809427.db2.gz LYYZXWUZYIQGJX-UHFFFAOYSA-N 3 2 295.431 0.280 20 0 CCADLP C[NH2+]CC(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000423932159 529956390 /nfs/dbraw/zinc/95/63/90/529956390.db2.gz RPZAWEJLGUZAPW-NSHDSACASA-N 2 2 278.356 0.347 20 0 CCADLP C[NH2+]CCNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000418320696 529975780 /nfs/dbraw/zinc/97/57/80/529975780.db2.gz WEXNJTYEDLBMQC-UHFFFAOYSA-N 2 2 266.345 0.326 20 0 CCADLP Cc1cc(NC[C@@]2(O)CC[N@@H+](C)C2)nc(C2CC2)[nH+]1 ZINC000358353690 232086897 /nfs/dbraw/zinc/08/68/97/232086897.db2.gz OMAZTFYXURIJDD-AWEZNQCLSA-N 2 2 262.357 0.563 20 0 CCADLP Cc1cc(NC[C@@]2(O)CC[N@H+](C)C2)nc(C2CC2)[nH+]1 ZINC000358353690 232086898 /nfs/dbraw/zinc/08/68/98/232086898.db2.gz OMAZTFYXURIJDD-AWEZNQCLSA-N 2 2 262.357 0.563 20 0 CCADLP C[C@@H](C[N@@H+]1CC[C@H](C[NH+](C)C)C1)CS(C)(=O)=O ZINC000119174903 349922410 /nfs/dbraw/zinc/92/24/10/349922410.db2.gz WOAGZHLGMXFFBZ-NWDGAFQWSA-N 2 2 262.419 0.551 20 0 CCADLP C[C@@H](C[N@H+]1CC[C@H](C[NH+](C)C)C1)CS(C)(=O)=O ZINC000119174903 349922414 /nfs/dbraw/zinc/92/24/14/349922414.db2.gz WOAGZHLGMXFFBZ-NWDGAFQWSA-N 2 2 262.419 0.551 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000127406011 187303647 /nfs/dbraw/zinc/30/36/47/187303647.db2.gz YHVINVVXHUNWNK-ZYHUDNBSSA-N 2 2 266.345 0.156 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000127406011 187303648 /nfs/dbraw/zinc/30/36/48/187303648.db2.gz YHVINVVXHUNWNK-ZYHUDNBSSA-N 2 2 266.345 0.156 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H](O)COC[C@@H]1CCCO1 ZINC000119326951 349930391 /nfs/dbraw/zinc/93/03/91/349930391.db2.gz KSCSNFXIWHMBIM-GJZGRUSLSA-N 2 2 297.399 0.762 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H](O)COC[C@@H]1CCCO1 ZINC000119326951 349930392 /nfs/dbraw/zinc/93/03/92/349930392.db2.gz KSCSNFXIWHMBIM-GJZGRUSLSA-N 2 2 297.399 0.762 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000119814424 349955252 /nfs/dbraw/zinc/95/52/52/349955252.db2.gz BGQHXNLXPXOMHQ-CQSZACIVSA-N 2 2 285.432 0.753 20 0 CCADLP CN(CC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)CC(F)(F)F ZINC000422703833 282477967 /nfs/dbraw/zinc/47/79/67/282477967.db2.gz IZACNZRULXMUAM-NWDGAFQWSA-N 2 2 295.349 0.837 20 0 CCADLP COC(=O)c1ccc(C[N@H+](C)CC2C[NH+](C)C2)n1C ZINC000602708807 362762148 /nfs/dbraw/zinc/76/21/48/362762148.db2.gz MKZUXOWPSFYVPI-UHFFFAOYSA-N 2 2 265.357 0.805 20 0 CCADLP COC(=O)c1ccc(C[N@@H+](C)CC2C[NH+](C)C2)n1C ZINC000602708807 362762151 /nfs/dbraw/zinc/76/21/51/362762151.db2.gz MKZUXOWPSFYVPI-UHFFFAOYSA-N 2 2 265.357 0.805 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000262701783 535055673 /nfs/dbraw/zinc/05/56/73/535055673.db2.gz IWMFCZPPEWELQS-AWEZNQCLSA-N 2 2 292.383 0.518 20 0 CCADLP CCN(C#N)CC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000602775053 362794807 /nfs/dbraw/zinc/79/48/07/362794807.db2.gz DZJIQMDMNGVYFA-INIZCTEOSA-N 2 2 293.459 0.891 20 0 CCADLP CCN(C#N)CC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000602775053 362794810 /nfs/dbraw/zinc/79/48/10/362794810.db2.gz DZJIQMDMNGVYFA-INIZCTEOSA-N 2 2 293.459 0.891 20 0 CCADLP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261682765 137015360 /nfs/dbraw/zinc/01/53/60/137015360.db2.gz MPMCMLLKWNDNEI-KBPBESRZSA-N 2 2 296.459 0.659 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NCCCOC)C1 ZINC000251553646 137001765 /nfs/dbraw/zinc/00/17/65/137001765.db2.gz OJGJGBIGSNWBLR-OLZOCXBDSA-N 2 2 271.405 0.459 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)C(=O)NCCCOC)C1 ZINC000251553646 137001766 /nfs/dbraw/zinc/00/17/66/137001766.db2.gz OJGJGBIGSNWBLR-OLZOCXBDSA-N 2 2 271.405 0.459 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000618189727 365919632 /nfs/dbraw/zinc/91/96/32/365919632.db2.gz TYIIMVRZQRXIQH-VXGBXAGGSA-N 2 2 262.357 0.544 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CCCCC1 ZINC000261555913 137008274 /nfs/dbraw/zinc/00/82/74/137008274.db2.gz BSKWQHSYFGPASU-OLZOCXBDSA-N 2 2 251.374 0.683 20 0 CCADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CCCCC1 ZINC000261555913 137008275 /nfs/dbraw/zinc/00/82/75/137008275.db2.gz BSKWQHSYFGPASU-OLZOCXBDSA-N 2 2 251.374 0.683 20 0 CCADLP CC(C)[C@@H](C)NC(=O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261577462 137009755 /nfs/dbraw/zinc/00/97/55/137009755.db2.gz OJYMBCGNDAJCDY-OCCSQVGLSA-N 2 2 253.390 0.833 20 0 CCADLP CC(C)[C@@H](C)NC(=O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261577462 137009756 /nfs/dbraw/zinc/00/97/56/137009756.db2.gz OJYMBCGNDAJCDY-OCCSQVGLSA-N 2 2 253.390 0.833 20 0 CCADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)NC1CCCCC1 ZINC000261591547 137010898 /nfs/dbraw/zinc/01/08/98/137010898.db2.gz MAWWBAJCHPLLJK-STQMWFEESA-N 2 2 265.401 0.977 20 0 CCADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)NC1CCCCC1 ZINC000261591547 137010899 /nfs/dbraw/zinc/01/08/99/137010899.db2.gz MAWWBAJCHPLLJK-STQMWFEESA-N 2 2 265.401 0.977 20 0 CCADLP CN(C)[C@@H](C(=O)N(C)CC1C[NH+](C)C1)c1c[nH+]cn1C ZINC000618190129 365921139 /nfs/dbraw/zinc/92/11/39/365921139.db2.gz IGOQAKHDSOGRSE-CYBMUJFWSA-N 2 2 279.388 0.043 20 0 CCADLP Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261653485 137014568 /nfs/dbraw/zinc/01/45/68/137014568.db2.gz JXRBAMYROFXHLW-AVGNSLFASA-N 2 2 291.399 0.645 20 0 CCADLP Cc1nn(C)c(C)c1NC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261653485 137014569 /nfs/dbraw/zinc/01/45/69/137014569.db2.gz JXRBAMYROFXHLW-AVGNSLFASA-N 2 2 291.399 0.645 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)[NH+]1CCOCC1 ZINC000262367521 137040823 /nfs/dbraw/zinc/04/08/23/137040823.db2.gz JPJAJHHIFBDQDQ-AVGNSLFASA-N 2 2 269.389 0.211 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263125124 137058729 /nfs/dbraw/zinc/05/87/29/137058729.db2.gz BEQUJZCLUMVLBS-WDEREUQCSA-N 2 2 291.342 0.211 20 0 CCADLP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263125124 137058730 /nfs/dbraw/zinc/05/87/30/137058730.db2.gz BEQUJZCLUMVLBS-WDEREUQCSA-N 2 2 291.342 0.211 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263169147 137059831 /nfs/dbraw/zinc/05/98/31/137059831.db2.gz FNAUDAVGZPWAPR-NSHDSACASA-N 2 2 291.342 0.164 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)N(C)C ZINC000261926660 137026316 /nfs/dbraw/zinc/02/63/16/137026316.db2.gz LDAZWNDGIHNGMY-RQJABVFESA-N 2 2 255.406 0.683 20 0 CCADLP Cc1cccn2cc(CNC(=O)C3([NH3+])CCOCC3)[nH+]c12 ZINC000261933235 137026727 /nfs/dbraw/zinc/02/67/27/137026727.db2.gz WNUQTGQAXJIDSR-UHFFFAOYSA-N 2 2 288.351 0.767 20 0 CCADLP COC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000262271769 137034180 /nfs/dbraw/zinc/03/41/80/137034180.db2.gz KMWDWEWPGBJTCJ-LBPRGKRZSA-N 2 2 298.412 0.069 20 0 CCADLP C[C@H](C[NH3+])C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000262303638 137036427 /nfs/dbraw/zinc/03/64/27/137036427.db2.gz BXWWBMMFUDXZHP-SNVBAGLBSA-N 2 2 259.313 0.478 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000311944057 137076555 /nfs/dbraw/zinc/07/65/55/137076555.db2.gz WQSQNLTWUBLCCR-YNEHKIRRSA-N 2 2 269.389 0.211 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000311944057 137076556 /nfs/dbraw/zinc/07/65/56/137076556.db2.gz WQSQNLTWUBLCCR-YNEHKIRRSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000313151223 137077727 /nfs/dbraw/zinc/07/77/27/137077727.db2.gz GQACOVIMGZJNTN-TZMCWYRMSA-N 2 2 279.384 0.457 20 0 CCADLP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000313151223 137077728 /nfs/dbraw/zinc/07/77/28/137077728.db2.gz GQACOVIMGZJNTN-TZMCWYRMSA-N 2 2 279.384 0.457 20 0 CCADLP CCC[N@H+](CCN1CC[NH+](CC)CC1)CC(=O)OCC ZINC000344155669 137180479 /nfs/dbraw/zinc/18/04/79/137180479.db2.gz VSVVVQCEQTYPDO-UHFFFAOYSA-N 2 2 285.432 0.899 20 0 CCADLP CCC[N@@H+](CCN1CC[NH+](CC)CC1)CC(=O)OCC ZINC000344155669 137180480 /nfs/dbraw/zinc/18/04/80/137180480.db2.gz VSVVVQCEQTYPDO-UHFFFAOYSA-N 2 2 285.432 0.899 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000343654305 137147368 /nfs/dbraw/zinc/14/73/68/137147368.db2.gz OEDCJSBDMJHLQM-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000343654305 137147369 /nfs/dbraw/zinc/14/73/69/137147369.db2.gz OEDCJSBDMJHLQM-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)NC2CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343891182 137164540 /nfs/dbraw/zinc/16/45/40/137164540.db2.gz XCHMBLRCSVRKDJ-DZGCQCFKSA-N 2 2 294.443 0.223 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)NC2CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343891182 137164541 /nfs/dbraw/zinc/16/45/41/137164541.db2.gz XCHMBLRCSVRKDJ-DZGCQCFKSA-N 2 2 294.443 0.223 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1cccnc1N1CCOCC1 ZINC000343292319 137125295 /nfs/dbraw/zinc/12/52/95/137125295.db2.gz TUBPCYIFOFKQTD-DZGCQCFKSA-N 2 2 290.411 0.958 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000343352868 137129936 /nfs/dbraw/zinc/12/99/36/137129936.db2.gz IOTPSNJILITPOS-GFCCVEGCSA-N 2 2 278.356 0.322 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000343352868 137129937 /nfs/dbraw/zinc/12/99/37/137129937.db2.gz IOTPSNJILITPOS-GFCCVEGCSA-N 2 2 278.356 0.322 20 0 CCADLP O=C([C@@H]1CCCC[NH2+]1)N1CCN(c2cccc[nH+]2)CC1 ZINC000019412187 348060929 /nfs/dbraw/zinc/06/09/29/348060929.db2.gz QBKUIWHROWRCOL-ZDUSSCGKSA-N 2 2 274.368 0.872 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@]2(CCO)CCOC2)C1 ZINC000344787984 137213657 /nfs/dbraw/zinc/21/36/57/137213657.db2.gz JBHIIEZYJZCYKM-MJBXVCDLSA-N 2 2 256.390 0.705 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@]2(CCO)CCOC2)C1 ZINC000344787984 137213658 /nfs/dbraw/zinc/21/36/58/137213658.db2.gz JBHIIEZYJZCYKM-MJBXVCDLSA-N 2 2 256.390 0.705 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000344631184 137204715 /nfs/dbraw/zinc/20/47/15/137204715.db2.gz OVJGPXWLNBKLLT-NFAWXSAZSA-N 2 2 277.416 0.929 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000344631184 137204716 /nfs/dbraw/zinc/20/47/16/137204716.db2.gz OVJGPXWLNBKLLT-NFAWXSAZSA-N 2 2 277.416 0.929 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000269280550 535070643 /nfs/dbraw/zinc/07/06/43/535070643.db2.gz QFOSTGQNLQSHPB-GFCCVEGCSA-N 2 2 260.341 0.976 20 0 CCADLP COc1ccc(C[NH+]2CCN(CC[NH3+])CC2)cc1F ZINC000037039593 348182458 /nfs/dbraw/zinc/18/24/58/348182458.db2.gz TYYZGWNWXUDFGE-UHFFFAOYSA-N 2 2 267.348 0.911 20 0 CCADLP COCCCn1nccc1C[NH+]1CCC([NH3+])CC1 ZINC000339408342 215153835 /nfs/dbraw/zinc/15/38/35/215153835.db2.gz ZJHWRCCYAUTRDW-UHFFFAOYSA-N 2 2 252.362 0.843 20 0 CCADLP C[NH+](C)CCCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000041287799 348250876 /nfs/dbraw/zinc/25/08/76/348250876.db2.gz FCAHOZRGTTWFKO-UHFFFAOYSA-N 2 2 260.341 0.945 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCC[C@@H]2C(=O)NC)C1 ZINC000345839133 137255373 /nfs/dbraw/zinc/25/53/73/137255373.db2.gz GCXRKRGUBNVKBX-WUHRBBMRSA-N 2 2 253.390 0.831 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCC[C@@H]2C(=O)NC)C1 ZINC000345839133 137255374 /nfs/dbraw/zinc/25/53/74/137255374.db2.gz GCXRKRGUBNVKBX-WUHRBBMRSA-N 2 2 253.390 0.831 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000043588504 348310880 /nfs/dbraw/zinc/31/08/80/348310880.db2.gz VQUIVYDQVHASAK-KGLIPLIRSA-N 2 2 283.416 0.603 20 0 CCADLP COc1cc[nH+]c(CN2CCC[N@@H+]([C@H](C)CO)CC2)c1 ZINC000346690573 137299673 /nfs/dbraw/zinc/29/96/73/137299673.db2.gz UCLOJWYRAWQJJT-CYBMUJFWSA-N 2 2 279.384 0.979 20 0 CCADLP COc1cc[nH+]c(CN2CCC[N@H+]([C@H](C)CO)CC2)c1 ZINC000346690573 137299674 /nfs/dbraw/zinc/29/96/74/137299674.db2.gz UCLOJWYRAWQJJT-CYBMUJFWSA-N 2 2 279.384 0.979 20 0 CCADLP CC[NH+]1CCN(CC(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000346104044 137267712 /nfs/dbraw/zinc/26/77/12/137267712.db2.gz HDAPVWPQCNITLO-UHFFFAOYSA-N 2 2 294.443 0.321 20 0 CCADLP CC[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CC1 ZINC000046058676 348349068 /nfs/dbraw/zinc/34/90/68/348349068.db2.gz PWCFHBCYSIBNAV-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP CC[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CC1 ZINC000046058676 348349070 /nfs/dbraw/zinc/34/90/70/348349070.db2.gz PWCFHBCYSIBNAV-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP c1cc(CN2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)no1 ZINC000347007399 137315347 /nfs/dbraw/zinc/31/53/47/137315347.db2.gz QGKRVTYEDFUUIH-ZDUSSCGKSA-N 2 2 264.373 0.792 20 0 CCADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N=c1ccn(CC[NH+](C)C)[nH]1 ZINC000347036286 137316899 /nfs/dbraw/zinc/31/68/99/137316899.db2.gz DPOQPCNNVHCZIQ-GFCCVEGCSA-N 2 2 295.431 0.972 20 0 CCADLP O=C(C[NH+]1CCN(C[C@H]2CCC[NH2+]C2)CC1)N1CCCC1 ZINC000346821668 137306168 /nfs/dbraw/zinc/30/61/68/137306168.db2.gz JDRUYZLCYMYSLR-HNNXBMFYSA-N 2 2 294.443 0.226 20 0 CCADLP O=C(CN1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1)N1CCCC1 ZINC000346821668 137306169 /nfs/dbraw/zinc/30/61/69/137306169.db2.gz JDRUYZLCYMYSLR-HNNXBMFYSA-N 2 2 294.443 0.226 20 0 CCADLP CN(C)C(=O)c1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)[nH]1 ZINC000347101680 137320103 /nfs/dbraw/zinc/32/01/03/137320103.db2.gz LELZOELPTSTBND-LLVKDONJSA-N 2 2 264.373 0.887 20 0 CCADLP CN(C)C(=O)c1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)[nH]1 ZINC000347101680 137320104 /nfs/dbraw/zinc/32/01/04/137320104.db2.gz LELZOELPTSTBND-LLVKDONJSA-N 2 2 264.373 0.887 20 0 CCADLP COc1c(O)cccc1C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000347186393 137324261 /nfs/dbraw/zinc/32/42/61/137324261.db2.gz BTOYQDLAFSRWFS-UHFFFAOYSA-N 2 2 293.367 0.264 20 0 CCADLP COc1c(O)cccc1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000347186393 137324262 /nfs/dbraw/zinc/32/42/62/137324262.db2.gz BTOYQDLAFSRWFS-UHFFFAOYSA-N 2 2 293.367 0.264 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCSCC2)CC1 ZINC000047993398 348394286 /nfs/dbraw/zinc/39/42/86/348394286.db2.gz AWBWIVLAAPCXQC-GFCCVEGCSA-N 2 2 271.430 0.588 20 0 CCADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH+](C)C)CC2)n1 ZINC000347391322 137334414 /nfs/dbraw/zinc/33/44/14/137334414.db2.gz WUENELWWXWJYEH-UHFFFAOYSA-N 2 2 276.384 0.596 20 0 CCADLP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000349310845 137391410 /nfs/dbraw/zinc/39/14/10/137391410.db2.gz HQEIIJNXEVSZAG-ZNMIVQPWSA-N 3 2 268.449 0.552 20 0 CCADLP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000349310845 137391411 /nfs/dbraw/zinc/39/14/11/137391411.db2.gz HQEIIJNXEVSZAG-ZNMIVQPWSA-N 3 2 268.449 0.552 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)CC1 ZINC000347802682 137357840 /nfs/dbraw/zinc/35/78/40/137357840.db2.gz XGZOBVSEBFYKJH-KGLIPLIRSA-N 2 2 297.443 0.489 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)CC1 ZINC000347802682 137357841 /nfs/dbraw/zinc/35/78/41/137357841.db2.gz XGZOBVSEBFYKJH-KGLIPLIRSA-N 2 2 297.443 0.489 20 0 CCADLP CCOC(=O)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000049826021 348459186 /nfs/dbraw/zinc/45/91/86/348459186.db2.gz XCRTXRISWOEUBN-UHFFFAOYSA-N 2 2 297.399 0.036 20 0 CCADLP COCCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051674611 348492466 /nfs/dbraw/zinc/49/24/66/348492466.db2.gz SGKRGXVZYNGOOV-UHFFFAOYSA-N 2 2 298.431 0.491 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976704 348674385 /nfs/dbraw/zinc/67/43/85/348674385.db2.gz QTJBUJXDJAPFPI-OLZOCXBDSA-N 2 2 269.389 0.293 20 0 CCADLP CCOC(=O)N1CCC([NH2+]C[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000068801711 348822153 /nfs/dbraw/zinc/82/21/53/348822153.db2.gz QJFLJLUUBCVZNT-CQSZACIVSA-N 2 2 298.431 0.443 20 0 CCADLP CCOC(=O)N1CCC([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000068801711 348822155 /nfs/dbraw/zinc/82/21/55/348822155.db2.gz QJFLJLUUBCVZNT-CQSZACIVSA-N 2 2 298.431 0.443 20 0 CCADLP CCOC(=O)[C@@]1(C)C[N@H+](CCCn2cc[nH+]c2)CCO1 ZINC000603004728 362932864 /nfs/dbraw/zinc/93/28/64/362932864.db2.gz YCQFAVCBPBUICN-CQSZACIVSA-N 2 2 281.356 0.927 20 0 CCADLP CCOC(=O)[C@@]1(C)C[N@@H+](CCCn2cc[nH+]c2)CCO1 ZINC000603004728 362932866 /nfs/dbraw/zinc/93/28/66/362932866.db2.gz YCQFAVCBPBUICN-CQSZACIVSA-N 2 2 281.356 0.927 20 0 CCADLP CC(C)[N@H+](C)CCNCc1c[nH+]c(N(C)C)n1C ZINC000070144134 348873240 /nfs/dbraw/zinc/87/32/40/348873240.db2.gz VSQANENVWXVTRT-UHFFFAOYSA-N 2 2 253.394 0.916 20 0 CCADLP CC(C)[N@@H+](C)CCNCc1c[nH+]c(N(C)C)n1C ZINC000070144134 348873244 /nfs/dbraw/zinc/87/32/44/348873244.db2.gz VSQANENVWXVTRT-UHFFFAOYSA-N 2 2 253.394 0.916 20 0 CCADLP [NH3+]CCCCC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000070202431 348879130 /nfs/dbraw/zinc/87/91/30/348879130.db2.gz DUTPRUPSEARHCN-UHFFFAOYSA-N 2 2 276.384 0.855 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)C1 ZINC000072997300 348941342 /nfs/dbraw/zinc/94/13/42/348941342.db2.gz YPVTUEOEWDQQKA-OCCSQVGLSA-N 2 2 294.399 0.665 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)C1 ZINC000072997300 348941345 /nfs/dbraw/zinc/94/13/45/348941345.db2.gz YPVTUEOEWDQQKA-OCCSQVGLSA-N 2 2 294.399 0.665 20 0 CCADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Cn1cc[nH+]c1 ZINC000073728627 348960484 /nfs/dbraw/zinc/96/04/84/348960484.db2.gz DUIKXJQOOIHHAB-GFCCVEGCSA-N 2 2 250.346 0.683 20 0 CCADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Cn1cc[nH+]c1 ZINC000073728627 348960486 /nfs/dbraw/zinc/96/04/86/348960486.db2.gz DUIKXJQOOIHHAB-GFCCVEGCSA-N 2 2 250.346 0.683 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000076005126 349063176 /nfs/dbraw/zinc/06/31/76/349063176.db2.gz QNOZBFFYUNECKL-LBPRGKRZSA-N 2 2 284.404 0.496 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000076005126 349063180 /nfs/dbraw/zinc/06/31/80/349063180.db2.gz QNOZBFFYUNECKL-LBPRGKRZSA-N 2 2 284.404 0.496 20 0 CCADLP CC(C)[C@@H](CNC(=O)N1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000339614904 215270312 /nfs/dbraw/zinc/27/03/12/215270312.db2.gz ZWYYDSARFQPPHF-CQSZACIVSA-N 2 2 298.431 0.300 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@H]1CCCCC[NH2+]1 ZINC000080996876 349238923 /nfs/dbraw/zinc/23/89/23/349238923.db2.gz VFCBCODRZJVOOV-LLVKDONJSA-N 2 2 250.346 0.911 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000081571962 349276172 /nfs/dbraw/zinc/27/61/72/349276172.db2.gz RIDPPEXWEHYERT-ZDUSSCGKSA-N 2 2 298.431 0.886 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000081571962 349276173 /nfs/dbraw/zinc/27/61/73/349276173.db2.gz RIDPPEXWEHYERT-ZDUSSCGKSA-N 2 2 298.431 0.886 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000081571962 349276176 /nfs/dbraw/zinc/27/61/76/349276176.db2.gz RIDPPEXWEHYERT-ZDUSSCGKSA-N 2 2 298.431 0.886 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000081571962 349276179 /nfs/dbraw/zinc/27/61/79/349276179.db2.gz RIDPPEXWEHYERT-ZDUSSCGKSA-N 2 2 298.431 0.886 20 0 CCADLP C[C@H](CS(C)(=O)=O)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000081900499 349287421 /nfs/dbraw/zinc/28/74/21/349287421.db2.gz KVKPTOSWCIHKHW-GHMZBOCLSA-N 2 2 260.403 0.493 20 0 CCADLP C[C@H](CS(C)(=O)=O)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000081900499 349287425 /nfs/dbraw/zinc/28/74/25/349287425.db2.gz KVKPTOSWCIHKHW-GHMZBOCLSA-N 2 2 260.403 0.493 20 0 CCADLP OCC1(C[NH+]2CCC([NH+]3CCCCC3)CC2)COC1 ZINC000084881673 349329122 /nfs/dbraw/zinc/32/91/22/349329122.db2.gz ITEGPOKZFMZWHW-UHFFFAOYSA-N 2 2 268.401 0.946 20 0 CCADLP [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000089450359 349387720 /nfs/dbraw/zinc/38/77/20/349387720.db2.gz NVNMOZSWVUFZTF-NEPJUHHUSA-N 2 2 250.346 0.764 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2ccc(F)c(F)c2)[C@H](C[NH3+])C1 ZINC000120762411 350004134 /nfs/dbraw/zinc/00/41/34/350004134.db2.gz VDPJHDSUHFRCRS-LLVKDONJSA-N 2 2 283.322 0.609 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2ccc(F)c(F)c2)[C@H](C[NH3+])C1 ZINC000120762411 350004138 /nfs/dbraw/zinc/00/41/38/350004138.db2.gz VDPJHDSUHFRCRS-LLVKDONJSA-N 2 2 283.322 0.609 20 0 CCADLP COCCCNC(=O)C[N@H+](C)CCC[NH+]1CCCCC1 ZINC000125022083 350113179 /nfs/dbraw/zinc/11/31/79/350113179.db2.gz FSXMXKBRIITJPT-UHFFFAOYSA-N 2 2 285.432 0.947 20 0 CCADLP COCCCNC(=O)C[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000125022083 350113183 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CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCCCOC)[C@H](C)C1 ZINC000125765221 350129407 /nfs/dbraw/zinc/12/94/07/350129407.db2.gz OWUWBLMJCRLCOP-ZIAGYGMSSA-N 2 2 285.432 0.801 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CCCCO2)CC1 ZINC000125892785 350132436 /nfs/dbraw/zinc/13/24/36/350132436.db2.gz JBTXSLZVYDPURZ-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000127337283 350166658 /nfs/dbraw/zinc/16/66/58/350166658.db2.gz XGIFVZNVHKGZQT-RRFJBIMHSA-N 3 2 268.449 0.695 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000127337283 350166660 /nfs/dbraw/zinc/16/66/60/350166660.db2.gz XGIFVZNVHKGZQT-RRFJBIMHSA-N 3 2 268.449 0.695 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCn1nc2ccccn2c1=O ZINC000129076554 350204491 /nfs/dbraw/zinc/20/44/91/350204491.db2.gz VYVKPZTWANAMKR-NEPJUHHUSA-N 2 2 275.356 0.308 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCn1nc2ccccn2c1=O ZINC000129076554 350204493 /nfs/dbraw/zinc/20/44/93/350204493.db2.gz VYVKPZTWANAMKR-NEPJUHHUSA-N 2 2 275.356 0.308 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H](C[NH3+])c2ccccc2)C1 ZINC000091666969 180222579 /nfs/dbraw/zinc/22/25/79/180222579.db2.gz RGIBTTHIRJNPKY-KGLIPLIRSA-N 2 2 277.368 0.176 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H](C[NH3+])c2ccccc2)C1 ZINC000091666969 180222580 /nfs/dbraw/zinc/22/25/80/180222580.db2.gz RGIBTTHIRJNPKY-KGLIPLIRSA-N 2 2 277.368 0.176 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000091669273 180224622 /nfs/dbraw/zinc/22/46/22/180224622.db2.gz GLZTWNBHIRRPAG-CHWSQXEVSA-N 2 2 263.341 0.133 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000091669273 180224623 /nfs/dbraw/zinc/22/46/23/180224623.db2.gz GLZTWNBHIRRPAG-CHWSQXEVSA-N 2 2 263.341 0.133 20 0 CCADLP O=C(C[C@@H]1COCC[NH2+]1)N1CCN(c2cccc[nH+]2)CC1 ZINC000130120218 350230023 /nfs/dbraw/zinc/23/00/23/350230023.db2.gz MNDOYEBXUNYLKH-CYBMUJFWSA-N 2 2 290.367 0.109 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](CCOCC2CC2)CC1 ZINC000130227878 350233199 /nfs/dbraw/zinc/23/31/99/350233199.db2.gz OCWUAZSSFZGECY-UHFFFAOYSA-N 2 2 269.389 0.119 20 0 CCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000131478005 350277379 /nfs/dbraw/zinc/27/73/79/350277379.db2.gz SMZAKMZVSKSCKE-ZJUUUORDSA-N 2 2 278.381 0.925 20 0 CCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000131478005 350277382 /nfs/dbraw/zinc/27/73/82/350277382.db2.gz SMZAKMZVSKSCKE-ZJUUUORDSA-N 2 2 278.381 0.925 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000132847729 350318219 /nfs/dbraw/zinc/31/82/19/350318219.db2.gz FGJDKVNSXMXCFJ-ZDUSSCGKSA-N 2 2 294.399 0.530 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000132847729 350318221 /nfs/dbraw/zinc/31/82/21/350318221.db2.gz FGJDKVNSXMXCFJ-ZDUSSCGKSA-N 2 2 294.399 0.530 20 0 CCADLP CN(C)C(=O)C[NH+]1CCC([NH2+]Cc2cncs2)CC1 ZINC000133103428 350325377 /nfs/dbraw/zinc/32/53/77/350325377.db2.gz APHOOKYMEMNNFH-UHFFFAOYSA-N 2 2 282.413 0.785 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCC[NH+]1CCCC1 ZINC000133440965 350335896 /nfs/dbraw/zinc/33/58/96/350335896.db2.gz FHHTVEHDBMUVKW-KGLIPLIRSA-N 3 2 255.406 0.829 20 0 CCADLP CC(C)[C@@]1(CO)CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000339711489 215309901 /nfs/dbraw/zinc/30/99/01/215309901.db2.gz RWLBKECIIHDESO-INIZCTEOSA-N 2 2 297.443 0.491 20 0 CCADLP CC(C)[C@@]1(CO)CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000339711489 215309904 /nfs/dbraw/zinc/30/99/04/215309904.db2.gz RWLBKECIIHDESO-INIZCTEOSA-N 2 2 297.443 0.491 20 0 CCADLP COc1c(N)[nH+]cnc1NCCC[NH+]1CCOCC1 ZINC000134819049 350376952 /nfs/dbraw/zinc/37/69/52/350376952.db2.gz RBGWANWVYHXXHN-UHFFFAOYSA-N 2 2 267.333 0.202 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)c1ccc2c(c1)C[NH2+]C2 ZINC000139612404 350447995 /nfs/dbraw/zinc/44/79/95/350447995.db2.gz PNOKDHKTLOKWHG-UHFFFAOYSA-N 2 2 256.309 0.985 20 0 CCADLP [NH3+]C1(C(=O)N2CC[NH+](Cc3cccnc3)CC2)CCC1 ZINC000147949065 350471497 /nfs/dbraw/zinc/47/14/97/350471497.db2.gz AUJCBAXEEHPXBR-UHFFFAOYSA-N 2 2 274.368 0.607 20 0 CCADLP COc1cc[nH+]c(CN2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000106860990 186142094 /nfs/dbraw/zinc/14/20/94/186142094.db2.gz HCSLHVKDPFLGSH-AWEZNQCLSA-N 2 2 265.357 0.853 20 0 CCADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NC(=O)NC1CCCCC1 ZINC000107855250 186195865 /nfs/dbraw/zinc/19/58/65/186195865.db2.gz SNSULMDVZYJNGQ-TXEJJXNPSA-N 2 2 294.399 0.296 20 0 CCADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NC(=O)NC1CCCCC1 ZINC000107855250 186195867 /nfs/dbraw/zinc/19/58/67/186195867.db2.gz SNSULMDVZYJNGQ-TXEJJXNPSA-N 2 2 294.399 0.296 20 0 CCADLP CC(C)[NH2+]C1CC[NH+](CCCS(=O)(=O)N(C)C)CC1 ZINC000108367952 186213743 /nfs/dbraw/zinc/21/37/43/186213743.db2.gz CNMMPHKEBFLWHH-UHFFFAOYSA-N 2 2 291.461 0.730 20 0 CCADLP C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000261912290 282711625 /nfs/dbraw/zinc/71/16/25/282711625.db2.gz JFMBKSYNCJVGLL-KFWWJZLASA-N 3 2 267.417 0.827 20 0 CCADLP CCC(CC)[C@H](C(=O)N[C@@H](C[NH3+])C1CC1)[NH+]1CCOCC1 ZINC000159203816 350672589 /nfs/dbraw/zinc/67/25/89/350672589.db2.gz NTSOQZRZRKSPIY-LSDHHAIUSA-N 2 2 297.443 0.977 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158759156 350662180 /nfs/dbraw/zinc/66/21/80/350662180.db2.gz QOPSCLQNHCNUSZ-OLZOCXBDSA-N 2 2 289.445 0.342 20 0 CCADLP CCS(=O)(=O)NCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158759156 350662183 /nfs/dbraw/zinc/66/21/83/350662183.db2.gz QOPSCLQNHCNUSZ-OLZOCXBDSA-N 2 2 289.445 0.342 20 0 CCADLP CCS(=O)(=O)NCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158759156 350662187 /nfs/dbraw/zinc/66/21/87/350662187.db2.gz QOPSCLQNHCNUSZ-OLZOCXBDSA-N 2 2 289.445 0.342 20 0 CCADLP CCS(=O)(=O)NCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158759156 350662188 /nfs/dbraw/zinc/66/21/88/350662188.db2.gz QOPSCLQNHCNUSZ-OLZOCXBDSA-N 2 2 289.445 0.342 20 0 CCADLP c1cn(CC[NH+]2CCN(c3cccnn3)CC2)c[nH+]1 ZINC000162888640 350755641 /nfs/dbraw/zinc/75/56/41/350755641.db2.gz AGFBHPZSBPXTSZ-UHFFFAOYSA-N 2 2 258.329 0.495 20 0 CCADLP Cn1cc(CN2CCC[N@H+](CCn3cc[nH+]c3)CC2)cn1 ZINC000163024102 350758361 /nfs/dbraw/zinc/75/83/61/350758361.db2.gz WSPJKINZHCSXIU-UHFFFAOYSA-N 2 2 288.399 0.825 20 0 CCADLP Cn1cc(CN2CCC[N@@H+](CCn3cc[nH+]c3)CC2)cn1 ZINC000163024102 350758364 /nfs/dbraw/zinc/75/83/64/350758364.db2.gz WSPJKINZHCSXIU-UHFFFAOYSA-N 2 2 288.399 0.825 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000162242295 350739709 /nfs/dbraw/zinc/73/97/09/350739709.db2.gz MADCKOIDCJGRKP-MNOVXSKESA-N 2 2 250.408 0.739 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCOc2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000162330199 350741432 /nfs/dbraw/zinc/74/14/32/350741432.db2.gz NXRDVIMSDBUJKS-ZDUSSCGKSA-N 2 2 295.358 0.696 20 0 CCADLP C[N@H+]1CCN(C(=O)CCOc2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000162330199 350741435 /nfs/dbraw/zinc/74/14/35/350741435.db2.gz NXRDVIMSDBUJKS-ZDUSSCGKSA-N 2 2 295.358 0.696 20 0 CCADLP CC[NH+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000163383069 350765728 /nfs/dbraw/zinc/76/57/28/350765728.db2.gz VPWWHYWHDKBVGA-AWEZNQCLSA-N 2 2 298.431 0.302 20 0 CCADLP O=C(C[NH2+]C[C@H]1CCCO1)NCCCn1cc[nH+]c1 ZINC000163382358 350765797 /nfs/dbraw/zinc/76/57/97/350765797.db2.gz YRRKCWPXXMHOCU-GFCCVEGCSA-N 2 2 266.345 0.158 20 0 CCADLP Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000163850299 350774043 /nfs/dbraw/zinc/77/40/43/350774043.db2.gz NLKUZDZECPTZTB-ZWNOBZJWSA-N 2 2 293.415 0.892 20 0 CCADLP Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000163850299 350774046 /nfs/dbraw/zinc/77/40/46/350774046.db2.gz NLKUZDZECPTZTB-ZWNOBZJWSA-N 2 2 293.415 0.892 20 0 CCADLP CC[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C(=O)N1CCOCC1 ZINC000165029664 350786750 /nfs/dbraw/zinc/78/67/50/350786750.db2.gz NDUCWNYEZPNGMS-HZSPNIEDSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)N1CCOCC1 ZINC000165029664 350786753 /nfs/dbraw/zinc/78/67/53/350786753.db2.gz NDUCWNYEZPNGMS-HZSPNIEDSA-N 2 2 283.416 0.696 20 0 CCADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)CCC[NH3+])CC1 ZINC000165461607 350790887 /nfs/dbraw/zinc/79/08/87/350790887.db2.gz GUZOGJVIHHEEMV-UHFFFAOYSA-N 2 2 280.372 0.675 20 0 CCADLP C[C@@H](CNC(=O)C[C@H]1C[NH2+]CCO1)Cn1cc[nH+]c1 ZINC000165586110 350791730 /nfs/dbraw/zinc/79/17/30/350791730.db2.gz XYLPWADAGRGWPV-RYUDHWBXSA-N 2 2 266.345 0.014 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000165683267 350792454 /nfs/dbraw/zinc/79/24/54/350792454.db2.gz CIWWKWLWDAOOQT-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H](NC(=O)c1ccc(C[NH3+])cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000167690513 350813495 /nfs/dbraw/zinc/81/34/95/350813495.db2.gz ZWFXNKPYJCBWHM-CHWSQXEVSA-N 2 2 291.395 0.984 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2nnnn2-c2ccccc2)C1 ZINC000168644528 350829946 /nfs/dbraw/zinc/82/99/46/350829946.db2.gz MLVUGLKRONFLEV-VXGBXAGGSA-N 2 2 272.356 0.831 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2nnnn2-c2ccccc2)C1 ZINC000168644528 350829949 /nfs/dbraw/zinc/82/99/49/350829949.db2.gz MLVUGLKRONFLEV-VXGBXAGGSA-N 2 2 272.356 0.831 20 0 CCADLP Cc1ccc(NCCCNC(=O)[C@H]2COCC[NH2+]2)[nH+]c1 ZINC000168947393 350833482 /nfs/dbraw/zinc/83/34/82/350833482.db2.gz ACKXHUSKCWTUMF-GFCCVEGCSA-N 2 2 278.356 0.297 20 0 CCADLP O=C(NCCC[NH+]1CCOCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000170250435 350843343 /nfs/dbraw/zinc/84/33/43/350843343.db2.gz VYGGWYYORLKAAN-ZDUSSCGKSA-N 2 2 292.383 0.284 20 0 CCADLP Cc1cccn2cc(CNC(=O)[C@@H]3CC[NH2+]C3)[nH+]c12 ZINC000168496207 350827608 /nfs/dbraw/zinc/82/76/08/350827608.db2.gz WMXXMKNBVVXOEG-LLVKDONJSA-N 2 2 258.325 0.868 20 0 CCADLP CNC(=O)NC(=O)CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000171932780 350944538 /nfs/dbraw/zinc/94/45/38/350944538.db2.gz DPXSCGJHVRGHNK-UHFFFAOYSA-N 2 2 279.344 0.366 20 0 CCADLP COC(=O)CNC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173871723 351059262 /nfs/dbraw/zinc/05/92/62/351059262.db2.gz CIMYRTFVWVIFTJ-CYBMUJFWSA-N 2 2 297.399 0.083 20 0 CCADLP COC(=O)CNC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173871723 351059266 /nfs/dbraw/zinc/05/92/66/351059266.db2.gz CIMYRTFVWVIFTJ-CYBMUJFWSA-N 2 2 297.399 0.083 20 0 CCADLP CC[N@H+](C)C[C@@H]1CC[NH+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000173884629 351060103 /nfs/dbraw/zinc/06/01/03/351060103.db2.gz MPUVGNPUXBWBSK-LBPRGKRZSA-N 2 2 296.415 0.590 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000173884629 351060107 /nfs/dbraw/zinc/06/01/07/351060107.db2.gz MPUVGNPUXBWBSK-LBPRGKRZSA-N 2 2 296.415 0.590 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000173884629 351060109 /nfs/dbraw/zinc/06/01/09/351060109.db2.gz MPUVGNPUXBWBSK-LBPRGKRZSA-N 2 2 296.415 0.590 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000173884629 351060113 /nfs/dbraw/zinc/06/01/13/351060113.db2.gz MPUVGNPUXBWBSK-LBPRGKRZSA-N 2 2 296.415 0.590 20 0 CCADLP CCC(CC)[C@@H](C(=O)N[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000178396981 351230042 /nfs/dbraw/zinc/23/00/42/351230042.db2.gz CSAMYIROAKPPRC-CABCVRRESA-N 2 2 297.443 0.992 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000178862266 351249593 /nfs/dbraw/zinc/24/95/93/351249593.db2.gz RUQPKWLODUIALO-IHRRRGAJSA-N 2 2 283.416 0.539 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000178883802 351251656 /nfs/dbraw/zinc/25/16/56/351251656.db2.gz SXVHITICIPVTBO-LLVKDONJSA-N 2 2 296.440 0.951 20 0 CCADLP CC[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(C)C ZINC000181041319 351300320 /nfs/dbraw/zinc/30/03/20/351300320.db2.gz MTTDEEHRXMLTKO-HUUCEWRRSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)C[C@@H](C)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181044280 351301384 /nfs/dbraw/zinc/30/13/84/351301384.db2.gz ZKZMUDQMBWSJLU-CABCVRRESA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000186701714 351508634 /nfs/dbraw/zinc/50/86/34/351508634.db2.gz IKXGVNPPXBNDFW-WCQYABFASA-N 2 2 272.352 0.991 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)c1c[nH+]ccc1N ZINC000188173107 351577456 /nfs/dbraw/zinc/57/74/56/351577456.db2.gz SBXFPHFPZDFYQX-UHFFFAOYSA-N 2 2 278.356 0.504 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)c1c[nH+]ccc1N ZINC000188173107 351577465 /nfs/dbraw/zinc/57/74/65/351577465.db2.gz SBXFPHFPZDFYQX-UHFFFAOYSA-N 2 2 278.356 0.504 20 0 CCADLP C[C@@H](NC(=O)c1c[nH+]ccc1N)[C@@H](C)[NH+]1CCOCC1 ZINC000188181220 351577787 /nfs/dbraw/zinc/57/77/87/351577787.db2.gz ABTLAMYCCLIOKB-GHMZBOCLSA-N 2 2 278.356 0.503 20 0 CCADLP CCNS(=O)(=O)[C@@H]1CC[N@H+](CCC[NH+](CC)CC)C1 ZINC000191819168 351774224 /nfs/dbraw/zinc/77/42/24/351774224.db2.gz FOQPMBJRQULKHJ-CYBMUJFWSA-N 2 2 291.461 0.732 20 0 CCADLP CCNS(=O)(=O)[C@@H]1CC[N@@H+](CCC[NH+](CC)CC)C1 ZINC000191819168 351774226 /nfs/dbraw/zinc/77/42/26/351774226.db2.gz FOQPMBJRQULKHJ-CYBMUJFWSA-N 2 2 291.461 0.732 20 0 CCADLP C[C@H]([NH3+])CCC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000193302628 351821098 /nfs/dbraw/zinc/82/10/98/351821098.db2.gz DDQRUJJFOYZOTH-QWHCGFSZSA-N 2 2 269.389 0.437 20 0 CCADLP CCN(CC)C(=O)C[NH+]1CCN(C(=O)CC[C@H](C)[NH3+])CC1 ZINC000193293272 351821103 /nfs/dbraw/zinc/82/11/03/351821103.db2.gz YZPUOJHNLAIGBI-ZDUSSCGKSA-N 2 2 298.431 0.126 20 0 CCADLP C[C@H]([NH3+])CCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000193302651 351821137 /nfs/dbraw/zinc/82/11/37/351821137.db2.gz DDQRUJJFOYZOTH-STQMWFEESA-N 2 2 269.389 0.437 20 0 CCADLP C=Cn1cc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cn1 ZINC000193578948 351833378 /nfs/dbraw/zinc/83/33/78/351833378.db2.gz AAWAGPVQYZDHHF-UHFFFAOYSA-N 2 2 264.373 0.872 20 0 CCADLP C=Cn1cc(C[N@H+](CCO)C2CC[NH+](C)CC2)cn1 ZINC000193578948 351833379 /nfs/dbraw/zinc/83/33/79/351833379.db2.gz AAWAGPVQYZDHHF-UHFFFAOYSA-N 2 2 264.373 0.872 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1)C(=O)OC ZINC000227068332 352037290 /nfs/dbraw/zinc/03/72/90/352037290.db2.gz NLPJASJTXNUCCL-FMSGJZPZSA-N 2 2 299.415 0.359 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1)C(=O)OC ZINC000227068332 352037295 /nfs/dbraw/zinc/03/72/95/352037295.db2.gz NLPJASJTXNUCCL-FMSGJZPZSA-N 2 2 299.415 0.359 20 0 CCADLP CNC(=O)NC(=O)C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000230025645 352101076 /nfs/dbraw/zinc/10/10/76/352101076.db2.gz UIOTXILFOLTWPX-UHFFFAOYSA-N 2 2 278.356 0.293 20 0 CCADLP CNC(=O)NC(=O)C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000230025645 352101078 /nfs/dbraw/zinc/10/10/78/352101078.db2.gz UIOTXILFOLTWPX-UHFFFAOYSA-N 2 2 278.356 0.293 20 0 CCADLP COCC1(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC[NH2+]CC1 ZINC000234668305 352165386 /nfs/dbraw/zinc/16/53/86/352165386.db2.gz OVERIUYLJAAQKJ-LBPRGKRZSA-N 2 2 280.372 0.404 20 0 CCADLP CO[C@@H]1C[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000234810643 352172600 /nfs/dbraw/zinc/17/26/00/352172600.db2.gz VZCOWZAEGYZBOP-NWDGAFQWSA-N 2 2 269.389 0.164 20 0 CCADLP COC[C@@H](C)OC[C@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC000234831096 352173996 /nfs/dbraw/zinc/17/39/96/352173996.db2.gz DLDCMOBPQZARBE-TZMCWYRMSA-N 2 2 274.405 0.425 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)[C@@H]1CCC[NH2+]C1 ZINC000655413536 412562287 /nfs/dbraw/zinc/56/22/87/412562287.db2.gz CMIQAWYRVLUUFS-XQQFMLRXSA-N 2 2 276.384 0.950 20 0 CCADLP CC[NH+](CC)Cc1nc(C2(NC(=O)C[NH3+])CCCC2)no1 ZINC000236933766 352229563 /nfs/dbraw/zinc/22/95/63/352229563.db2.gz ABTOTNGMJYXFQI-UHFFFAOYSA-N 2 2 295.387 0.756 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000603474389 363135276 /nfs/dbraw/zinc/13/52/76/363135276.db2.gz GYRBGMXFZLCDAR-LBPRGKRZSA-N 2 2 277.372 0.006 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000603474389 363135281 /nfs/dbraw/zinc/13/52/81/363135281.db2.gz GYRBGMXFZLCDAR-LBPRGKRZSA-N 2 2 277.372 0.006 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CC12CC[NH2+]CC2)[NH+]1CCOCC1 ZINC000237432383 352265054 /nfs/dbraw/zinc/26/50/54/352265054.db2.gz SYELBJMYKXVWMS-OLZOCXBDSA-N 2 2 281.400 0.213 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C[NH+](C)C)C[C@H](C)O1 ZINC000245392856 352318234 /nfs/dbraw/zinc/31/82/34/352318234.db2.gz BTXDMMPYQBQVNG-HZSPNIEDSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C[NH+](C)C)C[C@H](C)O1 ZINC000245392856 352318237 /nfs/dbraw/zinc/31/82/37/352318237.db2.gz BTXDMMPYQBQVNG-HZSPNIEDSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@@H]([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000237695610 352279835 /nfs/dbraw/zinc/27/98/35/352279835.db2.gz VDQVECKCURISNT-GRYCIOLGSA-N 2 2 292.383 0.659 20 0 CCADLP O=C(c1cccc(C[NH+]2CCOCC2)c1)N1CC[NH2+]CC1 ZINC000237885185 352287182 /nfs/dbraw/zinc/28/71/82/352287182.db2.gz OWSZFFCHHPKKJV-UHFFFAOYSA-N 2 2 289.379 0.564 20 0 CCADLP CN(CC(C)(C)C[NH3+])C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655418967 412564175 /nfs/dbraw/zinc/56/41/75/412564175.db2.gz IJAWIZCTVBUCSO-NSHDSACASA-N 2 2 264.373 0.889 20 0 CCADLP CC[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000245544549 352328652 /nfs/dbraw/zinc/32/86/52/352328652.db2.gz UQYUEABENUCBFO-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000245544549 352328658 /nfs/dbraw/zinc/32/86/58/352328658.db2.gz UQYUEABENUCBFO-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@H]([C@H](C)NC(=O)NC[C@H]1CCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000246366733 352363150 /nfs/dbraw/zinc/36/31/50/352363150.db2.gz FVYNOYGQPQJTTK-BFHYXJOUSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H]([C@H](C)NC(=O)NC[C@H]1CCC[N@H+]1C)[NH+]1CCOCC1 ZINC000246366733 352363154 /nfs/dbraw/zinc/36/31/54/352363154.db2.gz FVYNOYGQPQJTTK-BFHYXJOUSA-N 2 2 298.431 0.489 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000418286088 234052449 /nfs/dbraw/zinc/05/24/49/234052449.db2.gz XRJMZJOMOBUDID-AAEUAGOBSA-N 2 2 279.388 0.779 20 0 CCADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000247109251 352398823 /nfs/dbraw/zinc/39/88/23/352398823.db2.gz DTDKQDBIRWALET-ZIAGYGMSSA-N 2 2 283.416 0.555 20 0 CCADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000247109251 352398828 /nfs/dbraw/zinc/39/88/28/352398828.db2.gz DTDKQDBIRWALET-ZIAGYGMSSA-N 2 2 283.416 0.555 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000247109251 352398832 /nfs/dbraw/zinc/39/88/32/352398832.db2.gz DTDKQDBIRWALET-ZIAGYGMSSA-N 2 2 283.416 0.555 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000247109251 352398835 /nfs/dbraw/zinc/39/88/35/352398835.db2.gz DTDKQDBIRWALET-ZIAGYGMSSA-N 2 2 283.416 0.555 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247988903 352429306 /nfs/dbraw/zinc/42/93/06/352429306.db2.gz JDXFETSJVZNFFD-RYUDHWBXSA-N 2 2 282.388 0.248 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247988903 352429309 /nfs/dbraw/zinc/42/93/09/352429309.db2.gz JDXFETSJVZNFFD-RYUDHWBXSA-N 2 2 282.388 0.248 20 0 CCADLP CCNC(=O)NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247988903 352429312 /nfs/dbraw/zinc/42/93/12/352429312.db2.gz JDXFETSJVZNFFD-RYUDHWBXSA-N 2 2 282.388 0.248 20 0 CCADLP CCNC(=O)NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247988903 352429314 /nfs/dbraw/zinc/42/93/14/352429314.db2.gz JDXFETSJVZNFFD-RYUDHWBXSA-N 2 2 282.388 0.248 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCSC[C@H]1C(N)=O ZINC000271551474 191207839 /nfs/dbraw/zinc/20/78/39/191207839.db2.gz LPTGLJZWNCDDMB-NSHDSACASA-N 2 2 268.386 0.484 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CCSC[C@H]1C(N)=O ZINC000271551474 191207842 /nfs/dbraw/zinc/20/78/42/191207842.db2.gz LPTGLJZWNCDDMB-NSHDSACASA-N 2 2 268.386 0.484 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(CCCn2cc[nH+]c2)[C@H](C)C1 ZINC000248986616 352471136 /nfs/dbraw/zinc/47/11/36/352471136.db2.gz FDGATGDBIUXUFP-KGLIPLIRSA-N 2 2 266.389 0.660 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(CCCn2cc[nH+]c2)[C@H](C)C1 ZINC000248986616 352471137 /nfs/dbraw/zinc/47/11/37/352471137.db2.gz FDGATGDBIUXUFP-KGLIPLIRSA-N 2 2 266.389 0.660 20 0 CCADLP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C[NH3+])C1 ZINC000250964669 352508997 /nfs/dbraw/zinc/50/89/97/352508997.db2.gz ZHZJGSUYTICJDC-OLZOCXBDSA-N 2 2 289.445 0.471 20 0 CCADLP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C[NH3+])C1 ZINC000250964669 352509000 /nfs/dbraw/zinc/50/90/00/352509000.db2.gz ZHZJGSUYTICJDC-OLZOCXBDSA-N 2 2 289.445 0.471 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)NC(=O)NC2CCCC2)CC[C@H]1[NH3+] ZINC000251814827 352511490 /nfs/dbraw/zinc/51/14/90/352511490.db2.gz OWFQNRCVLYOBKM-DGCLKSJQSA-N 2 2 296.415 0.814 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CCCC2)CC[C@H]1[NH3+] ZINC000251814827 352511494 /nfs/dbraw/zinc/51/14/94/352511494.db2.gz OWFQNRCVLYOBKM-DGCLKSJQSA-N 2 2 296.415 0.814 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCS(=O)(=O)C2)CC[N@@H+]1C ZINC000252165971 352513390 /nfs/dbraw/zinc/51/33/90/352513390.db2.gz QMBRHMGORMYGNL-UTUOFQBUSA-N 2 2 260.403 0.636 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCS(=O)(=O)C2)CC[N@H+]1C ZINC000252165971 352513394 /nfs/dbraw/zinc/51/33/94/352513394.db2.gz QMBRHMGORMYGNL-UTUOFQBUSA-N 2 2 260.403 0.636 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[NH+]1CCSCC1 ZINC000264834574 352601068 /nfs/dbraw/zinc/60/10/68/352601068.db2.gz VFQXSUHSSDWCLT-UHFFFAOYSA-N 2 2 268.386 0.438 20 0 CCADLP Cc1[nH]ncc1C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000262101708 352578365 /nfs/dbraw/zinc/57/83/65/352578365.db2.gz VPDVBHIOAGZPCP-CYBMUJFWSA-N 2 2 279.388 0.538 20 0 CCADLP Cc1[nH]ncc1C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000262101708 352578368 /nfs/dbraw/zinc/57/83/68/352578368.db2.gz VPDVBHIOAGZPCP-CYBMUJFWSA-N 2 2 279.388 0.538 20 0 CCADLP CCn1cc(C[N@H+](CCO)C[C@]2(C)CC[NH2+]C2)cn1 ZINC000262148128 352583242 /nfs/dbraw/zinc/58/32/42/352583242.db2.gz ZPLLAZJGYFXJEM-CQSZACIVSA-N 2 2 266.389 0.697 20 0 CCADLP CCn1cc(C[N@@H+](CCO)C[C@]2(C)CC[NH2+]C2)cn1 ZINC000262148128 352583245 /nfs/dbraw/zinc/58/32/45/352583245.db2.gz ZPLLAZJGYFXJEM-CQSZACIVSA-N 2 2 266.389 0.697 20 0 CCADLP O=C(CC[N@@H+](CC(F)F)C1CC1)N1CC[NH2+]CC1 ZINC000262235279 352583872 /nfs/dbraw/zinc/58/38/72/352583872.db2.gz VTCSPLVEMZLDHW-UHFFFAOYSA-N 2 2 261.316 0.538 20 0 CCADLP O=C(CC[N@H+](CC(F)F)C1CC1)N1CC[NH2+]CC1 ZINC000262235279 352583876 /nfs/dbraw/zinc/58/38/76/352583876.db2.gz VTCSPLVEMZLDHW-UHFFFAOYSA-N 2 2 261.316 0.538 20 0 CCADLP CN(C(=O)CCn1cc[nH+]c1)[C@H]1CCC[N@H+](C)C1 ZINC000266220463 352690485 /nfs/dbraw/zinc/69/04/85/352690485.db2.gz ZFXGWUFSEIYTGW-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP CN(C(=O)CCn1cc[nH+]c1)[C@H]1CCC[N@@H+](C)C1 ZINC000266220463 352690486 /nfs/dbraw/zinc/69/04/86/352690486.db2.gz ZFXGWUFSEIYTGW-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)NCc1[nH+]ccn1C ZINC000266569099 352711277 /nfs/dbraw/zinc/71/12/77/352711277.db2.gz VRSHBOWKHVHRII-UHFFFAOYSA-N 2 2 283.376 0.188 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)NCc1[nH+]ccn1C ZINC000266569099 352711278 /nfs/dbraw/zinc/71/12/78/352711278.db2.gz VRSHBOWKHVHRII-UHFFFAOYSA-N 2 2 283.376 0.188 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1[nH+]ccn1C ZINC000266847521 352725572 /nfs/dbraw/zinc/72/55/72/352725572.db2.gz PXSXZWOIEMTQTC-NSHDSACASA-N 2 2 265.361 0.704 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNC(=O)NCc1[nH+]ccn1C ZINC000266847521 352725574 /nfs/dbraw/zinc/72/55/74/352725574.db2.gz PXSXZWOIEMTQTC-NSHDSACASA-N 2 2 265.361 0.704 20 0 CCADLP CCn1cc[nH+]c1CN1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000573913013 334976064 /nfs/dbraw/zinc/97/60/64/334976064.db2.gz LIYOZODDFLDJCK-QWHCGFSZSA-N 2 2 274.372 0.563 20 0 CCADLP COCCCNC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000269616438 352853908 /nfs/dbraw/zinc/85/39/08/352853908.db2.gz GYQYDXUUDPBGGY-GFCCVEGCSA-N 2 2 280.372 0.742 20 0 CCADLP COCCCNC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000269616438 352853912 /nfs/dbraw/zinc/85/39/12/352853912.db2.gz GYQYDXUUDPBGGY-GFCCVEGCSA-N 2 2 280.372 0.742 20 0 CCADLP C[C@@H](C(=O)NCc1[nH+]ccn1C)[NH+]1CCSCC1 ZINC000269661506 352860787 /nfs/dbraw/zinc/86/07/87/352860787.db2.gz FSEBXTSOQNDQSR-JTQLQIEISA-N 2 2 268.386 0.474 20 0 CCADLP C[NH+]1CCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000270088374 352903030 /nfs/dbraw/zinc/90/30/30/352903030.db2.gz STPYUULRMRKTKN-CYBMUJFWSA-N 2 2 289.383 0.617 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)N1CC[NH+](CCO)CC1 ZINC000271107342 353023111 /nfs/dbraw/zinc/02/31/11/353023111.db2.gz FJHPMHCOVZRVSJ-UHFFFAOYSA-N 2 2 264.329 0.532 20 0 CCADLP Cc1nn2c(C[NH2+]C[C@](C)(O)C[NH+](C)C)c(C)nc2s1 ZINC000271201557 353032613 /nfs/dbraw/zinc/03/26/13/353032613.db2.gz ITFILNFZYHLERH-ZDUSSCGKSA-N 2 2 297.428 0.810 20 0 CCADLP C[N@@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC000272391925 353059061 /nfs/dbraw/zinc/05/90/61/353059061.db2.gz CXPHELFGPXAPLC-QWHCGFSZSA-N 2 2 262.357 0.826 20 0 CCADLP C[N@H+]1CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC000272391925 353059065 /nfs/dbraw/zinc/05/90/65/353059065.db2.gz CXPHELFGPXAPLC-QWHCGFSZSA-N 2 2 262.357 0.826 20 0 CCADLP C[NH+](C)C1(CNc2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000419005135 234284544 /nfs/dbraw/zinc/28/45/44/234284544.db2.gz FSTQVIFWUOLEGM-UHFFFAOYSA-N 2 2 277.372 0.819 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000269251622 535206068 /nfs/dbraw/zinc/20/60/68/535206068.db2.gz ZBVBGGULRIOONZ-GFCCVEGCSA-N 2 2 250.346 0.747 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000276939096 353211502 /nfs/dbraw/zinc/21/15/02/353211502.db2.gz BPTJEILETFJAMY-UWVGGRQHSA-N 2 2 250.346 0.819 20 0 CCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cocn1 ZINC000276942012 353212482 /nfs/dbraw/zinc/21/24/82/353212482.db2.gz AQIGIOKIALTCCW-CYBMUJFWSA-N 2 2 280.372 0.707 20 0 CCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cocn1 ZINC000276942012 353212485 /nfs/dbraw/zinc/21/24/85/353212485.db2.gz AQIGIOKIALTCCW-CYBMUJFWSA-N 2 2 280.372 0.707 20 0 CCADLP COc1cc[nH+]c(CN2C[C@@H](C)[N@H+](CCO)C[C@H]2C)c1 ZINC000419328313 234370048 /nfs/dbraw/zinc/37/00/48/234370048.db2.gz OLZWGHSEVXZUSY-CHWSQXEVSA-N 2 2 279.384 0.977 20 0 CCADLP COc1cc[nH+]c(CN2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)c1 ZINC000419328313 234370051 /nfs/dbraw/zinc/37/00/51/234370051.db2.gz OLZWGHSEVXZUSY-CHWSQXEVSA-N 2 2 279.384 0.977 20 0 CCADLP OCC[C@@]1([NH2+]Cc2cccc3[nH+]ccn32)CCOC1 ZINC000278461505 353301821 /nfs/dbraw/zinc/30/18/21/353301821.db2.gz FAWVMAAWUVMECS-CQSZACIVSA-N 2 2 261.325 0.965 20 0 CCADLP CN(C)[C@H](C(=O)N1CC[NH+](C2CC2)CC1)c1c[nH+]cn1C ZINC000280671219 353375051 /nfs/dbraw/zinc/37/50/51/353375051.db2.gz BOIPWECFSZANLA-AWEZNQCLSA-N 2 2 291.399 0.329 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)[C@@H](C)C[NH2+]1 ZINC000655452399 412577549 /nfs/dbraw/zinc/57/75/49/412577549.db2.gz WIDATWSKDIOZDI-WOPDTQHZSA-N 2 2 262.357 0.654 20 0 CCADLP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCOCC1)Cn1cc[nH+]c1 ZINC000283053261 353477145 /nfs/dbraw/zinc/47/71/45/353477145.db2.gz BWJOZDZFLAVMKC-ZDUSSCGKSA-N 2 2 294.399 0.746 20 0 CCADLP CCc1nc(N2CC[NH+](CCCO)CC2)cc(C)[nH+]1 ZINC000286468431 353589203 /nfs/dbraw/zinc/58/92/03/353589203.db2.gz YGTCWQJNOATSKP-UHFFFAOYSA-N 2 2 264.373 0.852 20 0 CCADLP CCc1nc(N2CC[NH+](CCO)CC2)cc(C)[nH+]1 ZINC000285832972 353561845 /nfs/dbraw/zinc/56/18/45/353561845.db2.gz ZZKHHMPLJUHPGC-UHFFFAOYSA-N 2 2 250.346 0.462 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCCNc1cccc[nH+]1 ZINC000287152769 353629026 /nfs/dbraw/zinc/62/90/26/353629026.db2.gz QJMIOEIHTZXKSE-UHFFFAOYSA-N 2 2 259.313 0.966 20 0 CCADLP CS[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH+](C)C ZINC000287836936 353670357 /nfs/dbraw/zinc/67/03/57/353670357.db2.gz WYVORMRQNIJUCR-GHMZBOCLSA-N 2 2 282.413 0.846 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000290082221 353706445 /nfs/dbraw/zinc/70/64/45/353706445.db2.gz VDMAWCWONHBGMC-ZDUSSCGKSA-N 2 2 276.384 0.918 20 0 CCADLP CN(C)CC[N@H+](C)CCCNC(=O)CCn1cc[nH+]c1 ZINC000290111532 353708841 /nfs/dbraw/zinc/70/88/41/353708841.db2.gz LTFVAPQTTWZYFF-UHFFFAOYSA-N 2 2 281.404 0.273 20 0 CCADLP CN(C)CC[N@@H+](C)CCCNC(=O)CCn1cc[nH+]c1 ZINC000290111532 353708843 /nfs/dbraw/zinc/70/88/43/353708843.db2.gz LTFVAPQTTWZYFF-UHFFFAOYSA-N 2 2 281.404 0.273 20 0 CCADLP CN(CCCNC(=O)CCn1cc[nH+]c1)CC[NH+](C)C ZINC000290111532 353708848 /nfs/dbraw/zinc/70/88/48/353708848.db2.gz LTFVAPQTTWZYFF-UHFFFAOYSA-N 2 2 281.404 0.273 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+]CCc2cn[nH]c2)CC1 ZINC000291062261 353766225 /nfs/dbraw/zinc/76/62/25/353766225.db2.gz PMWLZTDTCLTPHK-UHFFFAOYSA-N 2 2 294.399 0.959 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)NCC[NH+]1CCSCC1 ZINC000296467752 353948697 /nfs/dbraw/zinc/94/86/97/353948697.db2.gz OJFTXYKNARWHRX-UHFFFAOYSA-N 2 2 297.428 0.751 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000296550811 353951096 /nfs/dbraw/zinc/95/10/96/353951096.db2.gz SWYOOUVXVSAKQY-NSHDSACASA-N 2 2 265.361 0.796 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000296550811 353951099 /nfs/dbraw/zinc/95/10/99/353951099.db2.gz SWYOOUVXVSAKQY-NSHDSACASA-N 2 2 265.361 0.796 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@@H](C)[NH+](C)C ZINC000299548185 354026298 /nfs/dbraw/zinc/02/62/98/354026298.db2.gz WYPOYNIIYXTKEB-SECBINFHSA-N 2 2 280.328 0.095 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCCC[NH+]1CCOCC1 ZINC000299565742 354028419 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OCCOCC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000304340170 354114784 /nfs/dbraw/zinc/11/47/84/354114784.db2.gz WUDNOARGWVTTEY-CQSZACIVSA-N 2 2 272.389 0.040 20 0 CCADLP OCCOCC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000304340170 354114787 /nfs/dbraw/zinc/11/47/87/354114787.db2.gz WUDNOARGWVTTEY-CQSZACIVSA-N 2 2 272.389 0.040 20 0 CCADLP Cc1[nH+]ccn1C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000305350751 354143887 /nfs/dbraw/zinc/14/38/87/354143887.db2.gz WEQCHWALZXROBX-NTZNESFSSA-N 2 2 253.346 0.662 20 0 CCADLP Cc1[nH+]ccn1C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000305350751 354143889 /nfs/dbraw/zinc/14/38/89/354143889.db2.gz WEQCHWALZXROBX-NTZNESFSSA-N 2 2 253.346 0.662 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](CO)OC[C@H]1C ZINC000305619229 354147706 /nfs/dbraw/zinc/14/77/06/354147706.db2.gz GPQMEHDQYIXNPQ-DGCLKSJQSA-N 2 2 253.346 0.663 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](CO)OC[C@H]1C ZINC000305619229 354147709 /nfs/dbraw/zinc/14/77/09/354147709.db2.gz GPQMEHDQYIXNPQ-DGCLKSJQSA-N 2 2 253.346 0.663 20 0 CCADLP O=S1(=O)CC[C@H](C[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000683995021 545598358 /nfs/dbraw/zinc/59/83/58/545598358.db2.gz JVKCWNKERBILMK-CYBMUJFWSA-N 2 2 295.408 0.638 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCO[C@H](C)C1 ZINC000310967616 354194760 /nfs/dbraw/zinc/19/47/60/354194760.db2.gz BWPNGYZIBQFYPN-OLZOCXBDSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCO[C@H](C)C1 ZINC000310967616 354194764 /nfs/dbraw/zinc/19/47/64/354194764.db2.gz BWPNGYZIBQFYPN-OLZOCXBDSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCO[C@H](C)C1 ZINC000310967616 354194768 /nfs/dbraw/zinc/19/47/68/354194768.db2.gz BWPNGYZIBQFYPN-OLZOCXBDSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCO[C@H](C)C1 ZINC000310967616 354194770 /nfs/dbraw/zinc/19/47/70/354194770.db2.gz BWPNGYZIBQFYPN-OLZOCXBDSA-N 2 2 260.378 0.036 20 0 CCADLP CCOC(=O)C1CC[NH+](C[C@@H](O)C[N@H+](C)CC)CC1 ZINC000311592372 354201560 /nfs/dbraw/zinc/20/15/60/354201560.db2.gz RBGBTARGQHXTBC-ZDUSSCGKSA-N 2 2 272.389 0.574 20 0 CCADLP CCOC(=O)C1CC[NH+](C[C@@H](O)C[N@@H+](C)CC)CC1 ZINC000311592372 354201561 /nfs/dbraw/zinc/20/15/61/354201561.db2.gz RBGBTARGQHXTBC-ZDUSSCGKSA-N 2 2 272.389 0.574 20 0 CCADLP Cn1c[nH+]c(CC[NH2+]C[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000313267647 354212709 /nfs/dbraw/zinc/21/27/09/354212709.db2.gz UPEPMQLDJVUUMN-ZDUSSCGKSA-N 3 2 252.362 0.007 20 0 CCADLP Cn1c[nH+]c(CC[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000313267647 354212713 /nfs/dbraw/zinc/21/27/13/354212713.db2.gz UPEPMQLDJVUUMN-ZDUSSCGKSA-N 3 2 252.362 0.007 20 0 CCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC2(CC[NH2+]2)CC1 ZINC000655480133 412587240 /nfs/dbraw/zinc/58/72/40/412587240.db2.gz QCCKWRZUUJQJDV-GFCCVEGCSA-N 2 2 274.368 0.800 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+]([C@H]2CCc3ccccc3NC2=O)CCCO1 ZINC000313350417 354214239 /nfs/dbraw/zinc/21/42/39/354214239.db2.gz MTZJBVVQYFDYSH-ZFWWWQNUSA-N 2 2 289.379 0.990 20 0 CCADLP [NH3+]C[C@H]1C[N@H+]([C@H]2CCc3ccccc3NC2=O)CCCO1 ZINC000313350417 354214242 /nfs/dbraw/zinc/21/42/42/354214242.db2.gz MTZJBVVQYFDYSH-ZFWWWQNUSA-N 2 2 289.379 0.990 20 0 CCADLP CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@H](C[NH3+])C1CC1 ZINC000655476587 412587480 /nfs/dbraw/zinc/58/74/80/412587480.db2.gz VBWYPKKCFKUFID-NWDGAFQWSA-N 2 2 262.357 0.641 20 0 CCADLP COCCC1(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CCC1 ZINC000557182828 291025572 /nfs/dbraw/zinc/02/55/72/291025572.db2.gz OTVSMZOADHYQNC-CYBMUJFWSA-N 2 2 298.431 0.478 20 0 CCADLP COCCC1(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CCC1 ZINC000557182828 291025576 /nfs/dbraw/zinc/02/55/76/291025576.db2.gz OTVSMZOADHYQNC-CYBMUJFWSA-N 2 2 298.431 0.478 20 0 CCADLP CC[NH2+]CCCNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000557151663 291024297 /nfs/dbraw/zinc/02/42/97/291024297.db2.gz WCZKLKJUNILKOB-LBPRGKRZSA-N 2 2 272.393 0.006 20 0 CCADLP CC[NH2+]CCCNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000557151663 291024299 /nfs/dbraw/zinc/02/42/99/291024299.db2.gz WCZKLKJUNILKOB-LBPRGKRZSA-N 2 2 272.393 0.006 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CCNS(=O)(=O)CC)C[C@@H]1C ZINC000330365333 354327660 /nfs/dbraw/zinc/32/76/60/354327660.db2.gz KZXYKVJGWQRVNO-STQMWFEESA-N 2 2 291.461 0.730 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CCNS(=O)(=O)CC)C[C@@H]1C ZINC000330365333 354327664 /nfs/dbraw/zinc/32/76/64/354327664.db2.gz KZXYKVJGWQRVNO-STQMWFEESA-N 2 2 291.461 0.730 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CCNS(=O)(=O)CC)C[C@@H]1C ZINC000330365333 354327668 /nfs/dbraw/zinc/32/76/68/354327668.db2.gz KZXYKVJGWQRVNO-STQMWFEESA-N 2 2 291.461 0.730 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CCNS(=O)(=O)CC)C[C@@H]1C ZINC000330365333 354327670 /nfs/dbraw/zinc/32/76/70/354327670.db2.gz KZXYKVJGWQRVNO-STQMWFEESA-N 2 2 291.461 0.730 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000360098474 283018213 /nfs/dbraw/zinc/01/82/13/283018213.db2.gz OZZUPLMITFKWTD-KBPBESRZSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000360098474 283018215 /nfs/dbraw/zinc/01/82/15/283018215.db2.gz OZZUPLMITFKWTD-KBPBESRZSA-N 2 2 281.400 0.404 20 0 CCADLP Cc1cc(NC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)no1 ZINC000330534573 354398481 /nfs/dbraw/zinc/39/84/81/354398481.db2.gz UYWFOQTUWLSSJE-UHFFFAOYSA-N 2 2 280.372 0.617 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000330539793 354400258 /nfs/dbraw/zinc/40/02/58/354400258.db2.gz RLZQKFCNBOXJAG-NWDGAFQWSA-N 2 2 264.373 0.902 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000330539794 354400611 /nfs/dbraw/zinc/40/06/11/354400611.db2.gz RLZQKFCNBOXJAG-RYUDHWBXSA-N 2 2 264.373 0.902 20 0 CCADLP CCN(C)C(=O)CC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000331177027 354479480 /nfs/dbraw/zinc/47/94/80/354479480.db2.gz LMMVONXJZVFFSY-UHFFFAOYSA-N 2 2 279.388 0.396 20 0 CCADLP CCOC[C@@H](O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000331307536 354527631 /nfs/dbraw/zinc/52/76/31/354527631.db2.gz SDVGXJCTAKFBDA-RYUDHWBXSA-N 2 2 253.346 0.987 20 0 CCADLP CCOC[C@@H](O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000331307536 354527633 /nfs/dbraw/zinc/52/76/33/354527633.db2.gz SDVGXJCTAKFBDA-RYUDHWBXSA-N 2 2 253.346 0.987 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N(C)C1CC([NH3+])C1)[NH+]1CCOCC1 ZINC000331406584 354564682 /nfs/dbraw/zinc/56/46/82/354564682.db2.gz INTDWMFALUPVAZ-ZFDZMSFRSA-N 2 2 284.404 0.227 20 0 CCADLP CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[N@@H+]1CCOC ZINC000331358152 354549984 /nfs/dbraw/zinc/54/99/84/354549984.db2.gz UUCCNQFDAWXVJD-CQSZACIVSA-N 2 2 294.399 0.761 20 0 CCADLP CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[N@H+]1CCOC ZINC000331358152 354549987 /nfs/dbraw/zinc/54/99/87/354549987.db2.gz UUCCNQFDAWXVJD-CQSZACIVSA-N 2 2 294.399 0.761 20 0 CCADLP CCCN(C(=O)NC[C@@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH2+]C1 ZINC000333680604 354776182 /nfs/dbraw/zinc/77/61/82/354776182.db2.gz ZPVWXSUYKRKLRL-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP CCCN(C(=O)NC[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH2+]C1 ZINC000333680604 354776184 /nfs/dbraw/zinc/77/61/84/354776184.db2.gz ZPVWXSUYKRKLRL-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP CCCN(C(=O)NC[C@@H]1C[N@H+](C)CCO1)[C@H]1CC[NH2+]C1 ZINC000333680609 354776324 /nfs/dbraw/zinc/77/63/24/354776324.db2.gz ZPVWXSUYKRKLRL-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP CCCN(C(=O)NC[C@@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH2+]C1 ZINC000333680609 354776327 /nfs/dbraw/zinc/77/63/27/354776327.db2.gz ZPVWXSUYKRKLRL-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000333705471 354779444 /nfs/dbraw/zinc/77/94/44/354779444.db2.gz DVSFPABKBVLAGO-JHJVBQTASA-N 2 2 284.404 0.004 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCn2cc[nH+]c2C1 ZINC000333857497 354805597 /nfs/dbraw/zinc/80/55/97/354805597.db2.gz RGUNLFFNUKEDAJ-MNOVXSKESA-N 2 2 263.345 0.406 20 0 CCADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000557667504 291041743 /nfs/dbraw/zinc/04/17/43/291041743.db2.gz MUCMDOALKOMWSP-CABCVRRESA-N 2 2 296.459 0.469 20 0 CCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000557667504 291041746 /nfs/dbraw/zinc/04/17/46/291041746.db2.gz MUCMDOALKOMWSP-CABCVRRESA-N 2 2 296.459 0.469 20 0 CCADLP CCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000655495098 412597429 /nfs/dbraw/zinc/59/74/29/412597429.db2.gz TUKAGNXRWCPMFM-NSHDSACASA-N 2 2 271.430 0.982 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@@H](OC2CCC2)C1 ZINC000655495620 412597478 /nfs/dbraw/zinc/59/74/78/412597478.db2.gz RIHONFMRNWOLPB-KGLIPLIRSA-N 2 2 283.416 0.826 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000334051198 354844530 /nfs/dbraw/zinc/84/45/30/354844530.db2.gz RXSCHANNMWKAFZ-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000334051198 354844532 /nfs/dbraw/zinc/84/45/32/354844532.db2.gz RXSCHANNMWKAFZ-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP C[N@H+]1CC=C(CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000334646819 354917239 /nfs/dbraw/zinc/91/72/39/354917239.db2.gz KNLVLVQTBIVFEE-LBPRGKRZSA-N 2 2 289.383 0.828 20 0 CCADLP C[N@@H+]1CC=C(CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000334646819 354917244 /nfs/dbraw/zinc/91/72/44/354917244.db2.gz KNLVLVQTBIVFEE-LBPRGKRZSA-N 2 2 289.383 0.828 20 0 CCADLP O=C(NCc1cn2ccccc2[nH+]1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000335203043 354985428 /nfs/dbraw/zinc/98/54/28/354985428.db2.gz KBXUCBBBQXLKDW-DOMZBBRYSA-N 2 2 270.336 0.950 20 0 CCADLP [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000423749865 235053650 /nfs/dbraw/zinc/05/36/50/235053650.db2.gz CORLVFNKXRSSNL-NWANDNLSSA-N 2 2 295.427 0.873 20 0 CCADLP [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000423749865 235053654 /nfs/dbraw/zinc/05/36/54/235053654.db2.gz CORLVFNKXRSSNL-NWANDNLSSA-N 2 2 295.427 0.873 20 0 CCADLP C[C@H](C(=O)N(C)[C@H]1C[NH+]2CCC1CC2)[NH+]1CCSCC1 ZINC000335833747 355023933 /nfs/dbraw/zinc/02/39/33/355023933.db2.gz FKWMKFPSUNDWCB-OCCSQVGLSA-N 2 2 297.468 0.976 20 0 CCADLP CN(C(=O)[C@H]1CSC[NH2+]1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000336032856 355077625 /nfs/dbraw/zinc/07/76/25/355077625.db2.gz ZOPUELLGCYJJQD-GHMZBOCLSA-N 2 2 255.387 0.344 20 0 CCADLP CN(C(=O)[C@H]1CSC[NH2+]1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000336032856 355077626 /nfs/dbraw/zinc/07/76/26/355077626.db2.gz ZOPUELLGCYJJQD-GHMZBOCLSA-N 2 2 255.387 0.344 20 0 CCADLP O=C(C[C@@H]1CCC[NH2+]1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000423805128 235086978 /nfs/dbraw/zinc/08/69/78/235086978.db2.gz SGEOEBIQJPMJAC-QWHCGFSZSA-N 2 2 274.368 0.919 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@@H](C)C1 ZINC000335952997 355057187 /nfs/dbraw/zinc/05/71/87/355057187.db2.gz WZLGDSOYQQURAH-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@@H](C)C1 ZINC000335952997 355057189 /nfs/dbraw/zinc/05/71/89/355057189.db2.gz WZLGDSOYQQURAH-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP CO[C@H](C[NH3+])C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000423813101 235089614 /nfs/dbraw/zinc/08/96/14/235089614.db2.gz DKKPENRZSDMEFQ-DGCLKSJQSA-N 2 2 297.424 0.927 20 0 CCADLP Cc1ccccc1[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCCOCC1 ZINC000423821236 235091017 /nfs/dbraw/zinc/09/10/17/235091017.db2.gz HCKPYFWIGFNFLN-OAHLLOKOSA-N 2 2 291.395 0.833 20 0 CCADLP Cc1ccccc1[C@@H]([NH3+])C(=O)NCC[N@H+]1CCCOCC1 ZINC000423821236 235091021 /nfs/dbraw/zinc/09/10/21/235091021.db2.gz HCKPYFWIGFNFLN-OAHLLOKOSA-N 2 2 291.395 0.833 20 0 CCADLP c1c[nH+]c(CN2CC[NH+](C[C@H]3CCCO3)CC2)[nH]1 ZINC000336698634 355139352 /nfs/dbraw/zinc/13/93/52/355139352.db2.gz GDEFOFQMBDYGPZ-GFCCVEGCSA-N 2 2 250.346 0.706 20 0 CCADLP CC1(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)COC1 ZINC000336712475 355145984 /nfs/dbraw/zinc/14/59/84/355145984.db2.gz OOBVFDKLQAFWJU-ZDUSSCGKSA-N 2 2 254.374 0.677 20 0 CCADLP CC1(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)COC1 ZINC000336712475 355145987 /nfs/dbraw/zinc/14/59/87/355145987.db2.gz OOBVFDKLQAFWJU-ZDUSSCGKSA-N 2 2 254.374 0.677 20 0 CCADLP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000336785413 355158604 /nfs/dbraw/zinc/15/86/04/355158604.db2.gz DHNMJMBVWPYAPL-JSGCOSHPSA-N 2 2 253.390 0.977 20 0 CCADLP CCCCNC(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000336785413 355158605 /nfs/dbraw/zinc/15/86/05/355158605.db2.gz DHNMJMBVWPYAPL-JSGCOSHPSA-N 2 2 253.390 0.977 20 0 CCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424168000 235166751 /nfs/dbraw/zinc/16/67/51/235166751.db2.gz FMJJGRNQUNTDBE-UTUOFQBUSA-N 2 2 262.357 0.548 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000336816207 355190179 /nfs/dbraw/zinc/19/01/79/355190179.db2.gz KXTAJHALPXPTPH-CYBMUJFWSA-N 2 2 285.413 0.948 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000336816207 355190182 /nfs/dbraw/zinc/19/01/82/355190182.db2.gz KXTAJHALPXPTPH-CYBMUJFWSA-N 2 2 285.413 0.948 20 0 CCADLP C[C@H](O)CCC[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000336847513 355215422 /nfs/dbraw/zinc/21/54/22/355215422.db2.gz FJIKPWVLYMFVQD-ZDUSSCGKSA-N 2 2 293.415 0.826 20 0 CCADLP C[N@H+](CCC[NH+]1CCCC1)CC(=O)NCC1CC1 ZINC000337269755 355293675 /nfs/dbraw/zinc/29/36/75/355293675.db2.gz MBEACIUORJUSHZ-UHFFFAOYSA-N 2 2 253.390 0.930 20 0 CCADLP C[N@@H+](CCC[NH+]1CCCC1)CC(=O)NCC1CC1 ZINC000337269755 355293678 /nfs/dbraw/zinc/29/36/78/355293678.db2.gz MBEACIUORJUSHZ-UHFFFAOYSA-N 2 2 253.390 0.930 20 0 CCADLP CC[NH+](CC)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338196152 355310732 /nfs/dbraw/zinc/31/07/32/355310732.db2.gz MKUYQPKOYUFRRE-CYBMUJFWSA-N 2 2 285.432 0.944 20 0 CCADLP CC(C)[C@H]1CN(CCC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000338355256 355330314 /nfs/dbraw/zinc/33/03/14/355330314.db2.gz HXYINYJEKNWQIM-OAHLLOKOSA-N 2 2 296.459 0.423 20 0 CCADLP CC(C)[C@H]1CN(CCC(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000338355256 355330318 /nfs/dbraw/zinc/33/03/18/355330318.db2.gz HXYINYJEKNWQIM-OAHLLOKOSA-N 2 2 296.459 0.423 20 0 CCADLP CC(C)[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCN1C ZINC000338355256 355330320 /nfs/dbraw/zinc/33/03/20/355330320.db2.gz HXYINYJEKNWQIM-OAHLLOKOSA-N 2 2 296.459 0.423 20 0 CCADLP CC(C)[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCN1C ZINC000338355256 355330322 /nfs/dbraw/zinc/33/03/22/355330322.db2.gz HXYINYJEKNWQIM-OAHLLOKOSA-N 2 2 296.459 0.423 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000424482227 235213804 /nfs/dbraw/zinc/21/38/04/235213804.db2.gz TVWITHRZTXBSIZ-VXGBXAGGSA-N 2 2 265.361 0.532 20 0 CCADLP CC[C@@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C(=O)OC ZINC000338835832 355433697 /nfs/dbraw/zinc/43/36/97/355433697.db2.gz YUJYCXFXWOIFSW-ZDUSSCGKSA-N 2 2 299.415 0.328 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@@H](O)C2CC2)CC1 ZINC000340251121 355539255 /nfs/dbraw/zinc/53/92/55/355539255.db2.gz GIYDYCDFWUEDFF-CQSZACIVSA-N 2 2 298.431 0.083 20 0 CCADLP CO[C@H](C[NH+]1CCN(C(=O)C[NH+](C)C)CC1)C1CC1 ZINC000425388532 235291862 /nfs/dbraw/zinc/29/18/62/235291862.db2.gz XDBARSWUYUEBTF-CYBMUJFWSA-N 2 2 269.389 0.117 20 0 CCADLP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H]1CC[N@H+](CCOC)C1 ZINC000341580201 355697495 /nfs/dbraw/zinc/69/74/95/355697495.db2.gz ACBBPJVSXDZMLN-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H]1CC[N@@H+](CCOC)C1 ZINC000341580201 355697497 /nfs/dbraw/zinc/69/74/97/355697497.db2.gz ACBBPJVSXDZMLN-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@H]2CCC[NH2+]C2)no1 ZINC000342758424 355739178 /nfs/dbraw/zinc/73/91/78/355739178.db2.gz TXWXNAZNFOYRRH-JTQLQIEISA-N 2 2 295.387 0.482 20 0 CCADLP COCC[N@@H+]1CCN(Cc2[nH+]cc(C)n2C)C[C@H]1C ZINC000342790380 355746615 /nfs/dbraw/zinc/74/66/15/355746615.db2.gz ZKCHXOKGKKLVRE-CYBMUJFWSA-N 2 2 266.389 0.881 20 0 CCADLP COCC[N@H+]1CCN(Cc2[nH+]cc(C)n2C)C[C@H]1C ZINC000342790380 355746616 /nfs/dbraw/zinc/74/66/16/355746616.db2.gz ZKCHXOKGKKLVRE-CYBMUJFWSA-N 2 2 266.389 0.881 20 0 CCADLP Cc1c[nH+]c(CN2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)n1C ZINC000342796228 355749046 /nfs/dbraw/zinc/74/90/46/355749046.db2.gz JPGVSOGGZBIQKP-OLZOCXBDSA-N 2 2 266.389 0.615 20 0 CCADLP Cc1c[nH+]c(CN2CC[N@H+](C[C@H](C)O)[C@H](C)C2)n1C ZINC000342796228 355749048 /nfs/dbraw/zinc/74/90/48/355749048.db2.gz JPGVSOGGZBIQKP-OLZOCXBDSA-N 2 2 266.389 0.615 20 0 CCADLP Cc1c[nH+]c(CN2CC[NH+](CCC(=O)N(C)C)CC2)n1C ZINC000342800951 355750089 /nfs/dbraw/zinc/75/00/89/355750089.db2.gz VPMMMLSJWCLVLE-UHFFFAOYSA-N 2 2 293.415 0.324 20 0 CCADLP CCC1CC([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000342735656 355732564 /nfs/dbraw/zinc/73/25/64/355732564.db2.gz PBONWKDVGVBOKR-YMAMQOFZSA-N 2 2 295.427 0.698 20 0 CCADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)NC(C1CC1)C1CC1 ZINC000428049168 235392585 /nfs/dbraw/zinc/39/25/85/235392585.db2.gz MSHWKCGUDCFLEO-UONOGXRCSA-N 2 2 277.412 0.975 20 0 CCADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)NC(C1CC1)C1CC1 ZINC000428049168 235392588 /nfs/dbraw/zinc/39/25/88/235392588.db2.gz MSHWKCGUDCFLEO-UONOGXRCSA-N 2 2 277.412 0.975 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000347722907 355881390 /nfs/dbraw/zinc/88/13/90/355881390.db2.gz PAKDUWLMXWEEGM-FZMZJTMJSA-N 2 2 297.424 0.416 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000347722907 355881393 /nfs/dbraw/zinc/88/13/93/355881393.db2.gz PAKDUWLMXWEEGM-FZMZJTMJSA-N 2 2 297.424 0.416 20 0 CCADLP c1nc2cnccn2c1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352695256 356056699 /nfs/dbraw/zinc/05/66/99/356056699.db2.gz VMQCYJJEIFFFHZ-ZDUSSCGKSA-N 2 2 286.383 0.209 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)[C@@H]2CCC[C@@H]21 ZINC000353432942 283137804 /nfs/dbraw/zinc/13/78/04/283137804.db2.gz DQASPKQQMULJSF-XUXIUFHCSA-N 2 2 286.441 0.884 20 0 CCADLP COC(=O)[C@H](CC(C)C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000352029814 356009251 /nfs/dbraw/zinc/00/92/51/356009251.db2.gz SMHCXCOLFKCDSY-AWEZNQCLSA-N 2 2 286.416 0.963 20 0 CCADLP COC(=O)[C@H](CC(C)C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000352029814 356009253 /nfs/dbraw/zinc/00/92/53/356009253.db2.gz SMHCXCOLFKCDSY-AWEZNQCLSA-N 2 2 286.416 0.963 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)[C@@H]2CCC[C@@H]21 ZINC000353432942 283137808 /nfs/dbraw/zinc/13/78/08/283137808.db2.gz DQASPKQQMULJSF-XUXIUFHCSA-N 2 2 286.441 0.884 20 0 CCADLP CCOC[C@H](O)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352746154 356069789 /nfs/dbraw/zinc/06/97/89/356069789.db2.gz ATFKURUTNQOGHL-SNVBAGLBSA-N 2 2 273.402 0.692 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NCCn2cc[nH+]c2C)C1 ZINC000352794487 356082764 /nfs/dbraw/zinc/08/27/64/356082764.db2.gz GORSOVWYBNLWIJ-LBPRGKRZSA-N 2 2 266.345 0.028 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NCCn2cc[nH+]c2C)C1 ZINC000352794487 356082765 /nfs/dbraw/zinc/08/27/65/356082765.db2.gz GORSOVWYBNLWIJ-LBPRGKRZSA-N 2 2 266.345 0.028 20 0 CCADLP Cc1cnn(C)c1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000352812784 356087598 /nfs/dbraw/zinc/08/75/98/356087598.db2.gz HYYJHOYXJLENGH-LBPRGKRZSA-N 2 2 252.362 0.275 20 0 CCADLP Cc1cccn2c(C[NH2+]CCS(=O)(=O)N(C)C)c[nH+]c12 ZINC000353104713 356157490 /nfs/dbraw/zinc/15/74/90/356157490.db2.gz GFECNXIKJMLNIP-UHFFFAOYSA-N 2 2 296.396 0.624 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000353458777 356227058 /nfs/dbraw/zinc/22/70/58/356227058.db2.gz KLKXJMPSJFXHEH-ZDUSSCGKSA-N 2 2 274.324 0.462 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000353466480 356229623 /nfs/dbraw/zinc/22/96/23/356229623.db2.gz HDZZIBCIEQBIJP-RFGFWPKPSA-N 2 2 283.416 0.600 20 0 CCADLP CSCC[C@H]([NH3+])C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000353575840 356252214 /nfs/dbraw/zinc/25/22/14/356252214.db2.gz FWFVTVQIODLQIU-NSHDSACASA-N 2 2 282.413 0.916 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000353581908 356253842 /nfs/dbraw/zinc/25/38/42/356253842.db2.gz ZUSDLIDDHHJUME-QJPTWQEYSA-N 2 2 257.378 0.197 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000353581908 356253844 /nfs/dbraw/zinc/25/38/44/356253844.db2.gz ZUSDLIDDHHJUME-QJPTWQEYSA-N 2 2 257.378 0.197 20 0 CCADLP C[N@@H+]1CCN(CCC[NH+]2CCOCC2)CC1(C)C ZINC000559763941 291087852 /nfs/dbraw/zinc/08/78/52/291087852.db2.gz ZBZXGCHAARCCRG-UHFFFAOYSA-N 2 2 255.406 0.735 20 0 CCADLP C[N@H+]1CCN(CCC[NH+]2CCOCC2)CC1(C)C ZINC000559763941 291087854 /nfs/dbraw/zinc/08/78/54/291087854.db2.gz ZBZXGCHAARCCRG-UHFFFAOYSA-N 2 2 255.406 0.735 20 0 CCADLP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000360814212 138012028 /nfs/dbraw/zinc/01/20/28/138012028.db2.gz AXAKFYDQSDOTKU-ONGXEEELSA-N 2 2 273.327 0.584 20 0 CCADLP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000360814212 138012029 /nfs/dbraw/zinc/01/20/29/138012029.db2.gz AXAKFYDQSDOTKU-ONGXEEELSA-N 2 2 273.327 0.584 20 0 CCADLP COC[C@H](C)[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000360901260 138015597 /nfs/dbraw/zinc/01/55/97/138015597.db2.gz IJIGFSMFZBBOCR-NWDGAFQWSA-N 2 2 280.372 0.536 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CN(C)CCN1C ZINC000361342919 138030424 /nfs/dbraw/zinc/03/04/24/138030424.db2.gz YSVFWEJWXCEGKP-MCIONIFRSA-N 2 2 254.422 0.162 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CN(C)CCN1C ZINC000361342919 138030425 /nfs/dbraw/zinc/03/04/25/138030425.db2.gz YSVFWEJWXCEGKP-MCIONIFRSA-N 2 2 254.422 0.162 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@@H]1C[NH+](C)CCN1C ZINC000361342919 138030426 /nfs/dbraw/zinc/03/04/26/138030426.db2.gz YSVFWEJWXCEGKP-MCIONIFRSA-N 2 2 254.422 0.162 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H]1C[NH+](C)CCN1C ZINC000361342919 138030427 /nfs/dbraw/zinc/03/04/27/138030427.db2.gz YSVFWEJWXCEGKP-MCIONIFRSA-N 2 2 254.422 0.162 20 0 CCADLP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@@H]1C[N@H+](C)CCN1C ZINC000361342919 138030428 /nfs/dbraw/zinc/03/04/28/138030428.db2.gz YSVFWEJWXCEGKP-MCIONIFRSA-N 2 2 254.422 0.162 20 0 CCADLP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@@H]1C[N@@H+](C)CCN1C ZINC000361342919 138030429 /nfs/dbraw/zinc/03/04/29/138030429.db2.gz YSVFWEJWXCEGKP-MCIONIFRSA-N 2 2 254.422 0.162 20 0 CCADLP [NH3+]C1(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCOCC1 ZINC000353761473 356289090 /nfs/dbraw/zinc/28/90/90/356289090.db2.gz UOGCTHAKMXBXPY-GFCCVEGCSA-N 2 2 290.367 0.284 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)C(=O)N(C)C)CC1 ZINC000361144992 138022844 /nfs/dbraw/zinc/02/28/44/138022844.db2.gz NHZMUIMYVXQNKH-LBPRGKRZSA-N 2 2 299.415 0.470 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCCN2CCC[NH+](C)CC2)C1 ZINC000361184553 138024310 /nfs/dbraw/zinc/02/43/10/138024310.db2.gz SNXIDAJBOCJJDI-HZPDHXFCSA-N 3 2 282.476 0.944 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCCN2CCC[NH+](C)CC2)C1 ZINC000361184553 138024311 /nfs/dbraw/zinc/02/43/11/138024311.db2.gz SNXIDAJBOCJJDI-HZPDHXFCSA-N 3 2 282.476 0.944 20 0 CCADLP CC[NH+]1C[C@@H](C)[C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)C1 ZINC000361184553 138024312 /nfs/dbraw/zinc/02/43/12/138024312.db2.gz SNXIDAJBOCJJDI-HZPDHXFCSA-N 3 2 282.476 0.944 20 0 CCADLP CC[NH+]1C[C@@H](C)[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C1 ZINC000361184553 138024313 /nfs/dbraw/zinc/02/43/13/138024313.db2.gz SNXIDAJBOCJJDI-HZPDHXFCSA-N 3 2 282.476 0.944 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCC(=O)OC)C[C@H]1C ZINC000362188595 138050375 /nfs/dbraw/zinc/05/03/75/138050375.db2.gz SHSIKDYLVAUCFF-NEPJUHHUSA-N 2 2 285.388 0.080 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCC(=O)OC)C[C@H]1C ZINC000362188595 138050376 /nfs/dbraw/zinc/05/03/76/138050376.db2.gz SHSIKDYLVAUCFF-NEPJUHHUSA-N 2 2 285.388 0.080 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCC(=O)OC)C[C@H]1C ZINC000362188595 138050377 /nfs/dbraw/zinc/05/03/77/138050377.db2.gz SHSIKDYLVAUCFF-NEPJUHHUSA-N 2 2 285.388 0.080 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCC(=O)OC)C[C@H]1C ZINC000362188595 138050378 /nfs/dbraw/zinc/05/03/78/138050378.db2.gz SHSIKDYLVAUCFF-NEPJUHHUSA-N 2 2 285.388 0.080 20 0 CCADLP Cc1cc[nH+]cc1N1CC[NH+]([C@@H]2COC[C@@H]2O)CC1 ZINC000361394851 138033935 /nfs/dbraw/zinc/03/39/35/138033935.db2.gz IUWQRIJZVRSRSB-KGLIPLIRSA-N 2 2 263.341 0.272 20 0 CCADLP CC(C)c1nc(N(C)C)nc(NCCOCC[NH+](C)C)[nH+]1 ZINC000354079646 356343515 /nfs/dbraw/zinc/34/35/15/356343515.db2.gz JUWJYMSXVQYIGZ-UHFFFAOYSA-N 2 2 296.419 0.473 20 0 CCADLP CC(C)c1nc(NCCOCC[NH+](C)C)nc(N(C)C)[nH+]1 ZINC000354079646 356343521 /nfs/dbraw/zinc/34/35/21/356343521.db2.gz JUWJYMSXVQYIGZ-UHFFFAOYSA-N 2 2 296.419 0.473 20 0 CCADLP O=C(Nc1cc[nH+]cc1O)[C@@H]1CCCc2[nH+]ccn21 ZINC000354256242 356376048 /nfs/dbraw/zinc/37/60/48/356376048.db2.gz REERIKRDXBGTNA-JTQLQIEISA-N 2 2 258.281 0.922 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCc2[nH]c[nH+]c2C)C1 ZINC000354361924 356399436 /nfs/dbraw/zinc/39/94/36/356399436.db2.gz SINKCAJYMPXICB-LLVKDONJSA-N 2 2 252.318 0.055 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NCc2[nH]c[nH+]c2C)C1 ZINC000354361924 356399440 /nfs/dbraw/zinc/39/94/40/356399440.db2.gz SINKCAJYMPXICB-LLVKDONJSA-N 2 2 252.318 0.055 20 0 CCADLP O=C(NCc1[nH]cc[nH+]1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000362570999 138064856 /nfs/dbraw/zinc/06/48/56/138064856.db2.gz UHLHUVCWGJFIQT-MRVPVSSYSA-N 2 2 260.301 0.140 20 0 CCADLP 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C[NH+]1CC[C@]2(CCN(CC[N@H+]3C[C@H]4CC[C@@H](C3)O4)C2)C1 ZINC000429046537 283170151 /nfs/dbraw/zinc/17/01/51/283170151.db2.gz XOYCLARSHZCRLI-XHSDSOJGSA-N 2 2 279.428 0.877 20 0 CCADLP C[NH+]1CC[C@]2(CCN(CC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)C2)C1 ZINC000429046537 283170154 /nfs/dbraw/zinc/17/01/54/283170154.db2.gz XOYCLARSHZCRLI-XHSDSOJGSA-N 2 2 279.428 0.877 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2CCCO2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354949668 356534896 /nfs/dbraw/zinc/53/48/96/356534896.db2.gz SSGADSQZXZVTCR-ZFWWWQNUSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2CCCO2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354949668 356534900 /nfs/dbraw/zinc/53/49/00/356534900.db2.gz SSGADSQZXZVTCR-ZFWWWQNUSA-N 2 2 295.427 0.792 20 0 CCADLP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157536 363475585 /nfs/dbraw/zinc/47/55/85/363475585.db2.gz CKHNHJMOIVQKJI-NSHDSACASA-N 2 2 279.344 0.366 20 0 CCADLP CNC(=O)NC(=O)CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157536 363475590 /nfs/dbraw/zinc/47/55/90/363475590.db2.gz CKHNHJMOIVQKJI-NSHDSACASA-N 2 2 279.344 0.366 20 0 CCADLP CCC[C@@H]([NH2+]C(C)C)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000355096487 356576856 /nfs/dbraw/zinc/57/68/56/356576856.db2.gz OLICVNJWQLRHCW-CYBMUJFWSA-N 2 2 298.431 0.091 20 0 CCADLP CCC[C@@H]([NH2+]C(C)C)C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000355096487 356576861 /nfs/dbraw/zinc/57/68/61/356576861.db2.gz OLICVNJWQLRHCW-CYBMUJFWSA-N 2 2 298.431 0.091 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)[C@H]2CCNC2=O)CC1 ZINC000328802425 202063827 /nfs/dbraw/zinc/06/38/27/202063827.db2.gz AYQCOIIIUYLXIE-RYUDHWBXSA-N 2 2 282.388 0.200 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)[C@H]2CCNC2=O)CC1 ZINC000328802425 202063829 /nfs/dbraw/zinc/06/38/29/202063829.db2.gz AYQCOIIIUYLXIE-RYUDHWBXSA-N 2 2 282.388 0.200 20 0 CCADLP Cc1noc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1 ZINC000610250172 363544427 /nfs/dbraw/zinc/54/44/27/363544427.db2.gz BXVKROBWZDAMGB-AWEZNQCLSA-N 2 2 293.415 0.978 20 0 CCADLP Cc1noc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1 ZINC000610250172 363544429 /nfs/dbraw/zinc/54/44/29/363544429.db2.gz BXVKROBWZDAMGB-AWEZNQCLSA-N 2 2 293.415 0.978 20 0 CCADLP Cc1nc([C@H]2CN(CCn3cc[nH+]c3)CCO2)no1 ZINC000329055116 202170184 /nfs/dbraw/zinc/17/01/84/202170184.db2.gz SHFUYCLLPNQZSA-LLVKDONJSA-N 2 2 263.301 0.648 20 0 CCADLP Cc1nc([C@H]2C[N@H+](CCn3cc[nH+]c3)CCO2)no1 ZINC000329055116 202170188 /nfs/dbraw/zinc/17/01/88/202170188.db2.gz SHFUYCLLPNQZSA-LLVKDONJSA-N 2 2 263.301 0.648 20 0 CCADLP Cc1nc([C@H]2C[N@@H+](CCn3cc[nH+]c3)CCO2)no1 ZINC000329055116 202170189 /nfs/dbraw/zinc/17/01/89/202170189.db2.gz SHFUYCLLPNQZSA-LLVKDONJSA-N 2 2 263.301 0.648 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](S(N)(=O)=O)C1 ZINC000357359407 356770416 /nfs/dbraw/zinc/77/04/16/356770416.db2.gz BSZOJDAIRKVMDM-NEPJUHHUSA-N 2 2 275.418 0.224 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](S(N)(=O)=O)C1 ZINC000357359407 356770420 /nfs/dbraw/zinc/77/04/20/356770420.db2.gz BSZOJDAIRKVMDM-NEPJUHHUSA-N 2 2 275.418 0.224 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000357359407 356770422 /nfs/dbraw/zinc/77/04/22/356770422.db2.gz BSZOJDAIRKVMDM-NEPJUHHUSA-N 2 2 275.418 0.224 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000357359407 356770427 /nfs/dbraw/zinc/77/04/27/356770427.db2.gz BSZOJDAIRKVMDM-NEPJUHHUSA-N 2 2 275.418 0.224 20 0 CCADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000358235474 356775748 /nfs/dbraw/zinc/77/57/48/356775748.db2.gz IJDHZTCEEKBMNP-GHYVTOPFSA-N 2 2 265.401 0.973 20 0 CCADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000358235474 356775753 /nfs/dbraw/zinc/77/57/53/356775753.db2.gz IJDHZTCEEKBMNP-GHYVTOPFSA-N 2 2 265.401 0.973 20 0 CCADLP CC(C)CN(C(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000359270604 356790526 /nfs/dbraw/zinc/79/05/26/356790526.db2.gz FMJBKBQBUWSXMK-CHWSQXEVSA-N 2 2 265.401 0.785 20 0 CCADLP CCN(C)c1ccc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)cn1 ZINC000359720774 356879212 /nfs/dbraw/zinc/87/92/12/356879212.db2.gz MXWZBRUTMQDJLW-HNNXBMFYSA-N 2 2 291.443 0.873 20 0 CCADLP CCN(C)c1ccc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cn1 ZINC000359720774 356879216 /nfs/dbraw/zinc/87/92/16/356879216.db2.gz MXWZBRUTMQDJLW-HNNXBMFYSA-N 2 2 291.443 0.873 20 0 CCADLP Cc1csc(=O)n1CC[N@@H+](C)[C@H](C[NH3+])C1CC1 ZINC000359895111 356916403 /nfs/dbraw/zinc/91/64/03/356916403.db2.gz GCSACTBSWGQMBY-LLVKDONJSA-N 2 2 255.387 0.887 20 0 CCADLP Cc1csc(=O)n1CC[N@H+](C)[C@H](C[NH3+])C1CC1 ZINC000359895111 356916407 /nfs/dbraw/zinc/91/64/07/356916407.db2.gz GCSACTBSWGQMBY-LLVKDONJSA-N 2 2 255.387 0.887 20 0 CCADLP CC(C)NC(=O)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655683465 412646476 /nfs/dbraw/zinc/64/64/76/412646476.db2.gz RYRYNRANAIUCGP-CQSZACIVSA-N 2 2 283.416 0.744 20 0 CCADLP Cc1ncncc1[C@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000655702479 412647425 /nfs/dbraw/zinc/64/74/25/412647425.db2.gz YKEUKYFZENFANF-NSHDSACASA-N 2 2 277.372 0.210 20 0 CCADLP CN1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1=O ZINC000655704916 412648325 /nfs/dbraw/zinc/64/83/25/412648325.db2.gz QFFFPFQJEMSXHC-OLZOCXBDSA-N 2 2 267.373 0.060 20 0 CCADLP CC[C@@H](CCO)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655715813 412648767 /nfs/dbraw/zinc/64/87/67/412648767.db2.gz NUSYDOPHTPPMSG-GXTWGEPZSA-N 2 2 256.390 0.990 20 0 CCADLP C[C@H](CNC(=O)C[C@H]1CCC[NH2+]CC1)[NH+]1CCOCC1 ZINC000364262143 357102954 /nfs/dbraw/zinc/10/29/54/357102954.db2.gz WHZBFQLBMKHYQD-KGLIPLIRSA-N 2 2 283.416 0.603 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000364586659 357122458 /nfs/dbraw/zinc/12/24/58/357122458.db2.gz MLRJLSWAMSHPAW-SWLSCSKDSA-N 2 2 274.368 0.763 20 0 CCADLP C[NH+](C)CCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000366192000 357191501 /nfs/dbraw/zinc/19/15/01/357191501.db2.gz VJVDJGRHXVLDQC-SNVBAGLBSA-N 2 2 250.346 0.898 20 0 CCADLP C[NH+](C)CCCNC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000366192000 357191502 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C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CCCC[NH2+]3)C2)CC1 ZINC000377197789 357550558 /nfs/dbraw/zinc/55/05/58/357550558.db2.gz NEBZXVDCNOIJHZ-DZGCQCFKSA-N 3 2 294.443 0.413 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CCCC[NH2+]3)C2)CC1 ZINC000377197789 357550564 /nfs/dbraw/zinc/55/05/64/357550564.db2.gz NEBZXVDCNOIJHZ-DZGCQCFKSA-N 3 2 294.443 0.413 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3([NH3+])CCCC3)C2)CC1 ZINC000377197801 357550800 /nfs/dbraw/zinc/55/08/00/357550800.db2.gz NFWCQIQBKARLHF-ZDUSSCGKSA-N 3 2 294.443 0.543 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3([NH3+])CCCC3)C2)CC1 ZINC000377197801 357550803 /nfs/dbraw/zinc/55/08/03/357550803.db2.gz NFWCQIQBKARLHF-ZDUSSCGKSA-N 3 2 294.443 0.543 20 0 CCADLP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)N(C)C ZINC000655759979 412655878 /nfs/dbraw/zinc/65/58/78/412655878.db2.gz JFZMLUIMSYHEPE-GXTWGEPZSA-N 2 2 283.416 0.696 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC(F)F)C2)CC1 ZINC000377915260 357630709 /nfs/dbraw/zinc/63/07/09/357630709.db2.gz QONYNZAQPYBALX-SNVBAGLBSA-N 2 2 290.358 0.719 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC(F)F)C2)CC1 ZINC000377915260 357630711 /nfs/dbraw/zinc/63/07/11/357630711.db2.gz QONYNZAQPYBALX-SNVBAGLBSA-N 2 2 290.358 0.719 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)CC1 ZINC000377666863 357602385 /nfs/dbraw/zinc/60/23/85/357602385.db2.gz CKBZIEWSEMEQRA-HIFRSBDPSA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)CC1 ZINC000377666863 357602386 /nfs/dbraw/zinc/60/23/86/357602386.db2.gz CKBZIEWSEMEQRA-HIFRSBDPSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@H](C(=O)N(C)C1(C[NH3+])CCC1)[NH+]1CCOCC1 ZINC000449687651 236046072 /nfs/dbraw/zinc/04/60/72/236046072.db2.gz QQBBVTWQNMZDLW-LLVKDONJSA-N 2 2 255.362 0.047 20 0 CCADLP COc1ccccc1NC(=O)C[N@H+](C)CCOCC[NH3+] ZINC000380492612 357704093 /nfs/dbraw/zinc/70/40/93/357704093.db2.gz YKVYNOHIFYGCLI-UHFFFAOYSA-N 2 2 281.356 0.541 20 0 CCADLP COc1ccccc1NC(=O)C[N@@H+](C)CCOCC[NH3+] ZINC000380492612 357704099 /nfs/dbraw/zinc/70/40/99/357704099.db2.gz YKVYNOHIFYGCLI-UHFFFAOYSA-N 2 2 281.356 0.541 20 0 CCADLP CCn1cc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cn1 ZINC000449390665 236031766 /nfs/dbraw/zinc/03/17/66/236031766.db2.gz HBDOUMAQVMCCHG-CQSZACIVSA-N 2 2 266.389 0.839 20 0 CCADLP CCn1cc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cn1 ZINC000449390665 236031768 /nfs/dbraw/zinc/03/17/68/236031768.db2.gz HBDOUMAQVMCCHG-CQSZACIVSA-N 2 2 266.389 0.839 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)CCC(F)(F)F ZINC000386494654 357730754 /nfs/dbraw/zinc/73/07/54/357730754.db2.gz YENDRCYXRJEJSH-JTQLQIEISA-N 2 2 272.311 0.810 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)CCC(F)(F)F ZINC000386494654 357730760 /nfs/dbraw/zinc/73/07/60/357730760.db2.gz YENDRCYXRJEJSH-JTQLQIEISA-N 2 2 272.311 0.810 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)CCC(F)(F)F ZINC000386494654 357730765 /nfs/dbraw/zinc/73/07/65/357730765.db2.gz YENDRCYXRJEJSH-JTQLQIEISA-N 2 2 272.311 0.810 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)CCC(F)(F)F ZINC000386494654 357730767 /nfs/dbraw/zinc/73/07/67/357730767.db2.gz YENDRCYXRJEJSH-JTQLQIEISA-N 2 2 272.311 0.810 20 0 CCADLP CCO[C@@H]1C[N@H+](Cc2ccc(C(=O)OC)o2)C[C@H]1C[NH3+] ZINC000405315105 357824119 /nfs/dbraw/zinc/82/41/19/357824119.db2.gz WLTGQZDFQFSDHD-ZWNOBZJWSA-N 2 2 282.340 0.862 20 0 CCADLP CCO[C@@H]1C[N@@H+](Cc2ccc(C(=O)OC)o2)C[C@H]1C[NH3+] ZINC000405315105 357824127 /nfs/dbraw/zinc/82/41/27/357824127.db2.gz WLTGQZDFQFSDHD-ZWNOBZJWSA-N 2 2 282.340 0.862 20 0 CCADLP CCn1cc[nH+]c1CN1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000404281744 357820222 /nfs/dbraw/zinc/82/02/22/357820222.db2.gz VRTXGXNINVDYMG-NEPJUHHUSA-N 2 2 250.346 0.466 20 0 CCADLP C[C@@H]1CN(c2[nH+]cnc3[nH]ccc32)C[C@H](C)[N@H+]1CCO ZINC000450797505 236113357 /nfs/dbraw/zinc/11/33/57/236113357.db2.gz SYUDFXKEIKPNQJ-PHIMTYICSA-N 2 2 275.356 0.849 20 0 CCADLP C[C@@H]1CN(c2[nH+]cnc3[nH]ccc32)C[C@H](C)[N@@H+]1CCO ZINC000450797505 236113359 /nfs/dbraw/zinc/11/33/59/236113359.db2.gz SYUDFXKEIKPNQJ-PHIMTYICSA-N 2 2 275.356 0.849 20 0 CCADLP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000561169278 291119206 /nfs/dbraw/zinc/11/92/06/291119206.db2.gz QLZWGTRFMDQEGS-CHWSQXEVSA-N 2 2 276.384 0.904 20 0 CCADLP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000561169278 291119207 /nfs/dbraw/zinc/11/92/07/291119207.db2.gz QLZWGTRFMDQEGS-CHWSQXEVSA-N 2 2 276.384 0.904 20 0 CCADLP NC(=O)[C@H]1C[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655793158 412662703 /nfs/dbraw/zinc/66/27/03/412662703.db2.gz VHPWVMGZXZSHEJ-UHTWSYAYSA-N 2 2 267.373 0.093 20 0 CCADLP CCOC1CC(CCNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000561203002 291120919 /nfs/dbraw/zinc/12/09/19/291120919.db2.gz LPGGHNIAKOQLEV-ROKHWSDSSA-N 2 2 298.431 0.476 20 0 CCADLP CCOC1CC(CCNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000561203002 291120921 /nfs/dbraw/zinc/12/09/21/291120921.db2.gz LPGGHNIAKOQLEV-ROKHWSDSSA-N 2 2 298.431 0.476 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@H]2C=CCCC2)[C@@H](C[NH3+])C1 ZINC000561190148 291119970 /nfs/dbraw/zinc/11/99/70/291119970.db2.gz UUWJXKQMYOJQKH-RYUDHWBXSA-N 2 2 252.362 0.379 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@H]2C=CCCC2)[C@@H](C[NH3+])C1 ZINC000561190148 291119971 /nfs/dbraw/zinc/11/99/71/291119971.db2.gz UUWJXKQMYOJQKH-RYUDHWBXSA-N 2 2 252.362 0.379 20 0 CCADLP Cc1nc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc[nH+]1 ZINC000408239722 357987427 /nfs/dbraw/zinc/98/74/27/357987427.db2.gz BJXURGXKMINPAV-UHFFFAOYSA-N 2 2 289.383 0.529 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000452016186 236211908 /nfs/dbraw/zinc/21/19/08/236211908.db2.gz OUZFLMSMEBHAGL-ZDUSSCGKSA-N 2 2 279.388 0.927 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000452016186 236211910 /nfs/dbraw/zinc/21/19/10/236211910.db2.gz OUZFLMSMEBHAGL-ZDUSSCGKSA-N 2 2 279.388 0.927 20 0 CCADLP C[C@H](C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)[NH+]1CC(C)C1 ZINC000561266204 291124763 /nfs/dbraw/zinc/12/47/63/291124763.db2.gz NJBHHHAEALVSHQ-KFWWJZLASA-N 2 2 295.427 0.506 20 0 CCADLP C[C@H]1C[C@H]([NH+](C)CCCS(=O)(=O)N(C)C)CC[N@@H+]1C ZINC000123266719 291125043 /nfs/dbraw/zinc/12/50/43/291125043.db2.gz GKOMUJSTZHRFKY-QWHCGFSZSA-N 2 2 291.461 0.682 20 0 CCADLP C[C@H]1C[C@H]([NH+](C)CCCS(=O)(=O)N(C)C)CC[N@H+]1C ZINC000123266719 291125046 /nfs/dbraw/zinc/12/50/46/291125046.db2.gz GKOMUJSTZHRFKY-QWHCGFSZSA-N 2 2 291.461 0.682 20 0 CCADLP C[C@H]1C[C@H]([N@H+](C)CCCS(=O)(=O)N(C)C)CC[NH+]1C ZINC000123266719 291125048 /nfs/dbraw/zinc/12/50/48/291125048.db2.gz GKOMUJSTZHRFKY-QWHCGFSZSA-N 2 2 291.461 0.682 20 0 CCADLP C[C@H]1C[C@H]([N@@H+](C)CCCS(=O)(=O)N(C)C)CC[NH+]1C ZINC000123266719 291125051 /nfs/dbraw/zinc/12/50/51/291125051.db2.gz GKOMUJSTZHRFKY-QWHCGFSZSA-N 2 2 291.461 0.682 20 0 CCADLP Cc1nc(NC[C@@H]2[NH2+]CCc3ccccc32)nc(N(C)C)[nH+]1 ZINC000561267821 291125563 /nfs/dbraw/zinc/12/55/63/291125563.db2.gz MFQDFSNDCDKBCG-AWEZNQCLSA-N 2 2 298.394 0.967 20 0 CCADLP COC1([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)CCC1 ZINC000412023563 358117698 /nfs/dbraw/zinc/11/76/98/358117698.db2.gz XTODRDNWOJKSEX-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP COCCO[C@@H]1C[C@@H](CO)C[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414756266 358123304 /nfs/dbraw/zinc/12/33/04/358123304.db2.gz JIPQXWLYCSLIKG-QLFBSQMISA-N 2 2 288.432 0.706 20 0 CCADLP COCCO[C@@H]1C[C@@H](CO)C[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000414756266 358123308 /nfs/dbraw/zinc/12/33/08/358123308.db2.gz JIPQXWLYCSLIKG-QLFBSQMISA-N 2 2 288.432 0.706 20 0 CCADLP C[C@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000422745489 358192469 /nfs/dbraw/zinc/19/24/69/358192469.db2.gz VGUHAHIJLIHSDL-RBSFLKMASA-N 3 2 268.449 0.743 20 0 CCADLP CS[C@H](CO)[C@H](C)[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422973776 358195207 /nfs/dbraw/zinc/19/52/07/358195207.db2.gz CQWYXEHYROHANL-WKSBVSIWSA-N 2 2 274.430 0.455 20 0 CCADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000422978227 358195383 /nfs/dbraw/zinc/19/53/83/358195383.db2.gz YUOQTJZDICDYFF-KFWWJZLASA-N 3 2 269.433 0.811 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000423110277 358195964 /nfs/dbraw/zinc/19/59/64/358195964.db2.gz VLJSQMMLTJDMHC-KGLIPLIRSA-N 3 2 268.449 0.600 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000423110277 358195967 /nfs/dbraw/zinc/19/59/67/358195967.db2.gz VLJSQMMLTJDMHC-KGLIPLIRSA-N 3 2 268.449 0.600 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000423389196 358200219 /nfs/dbraw/zinc/20/02/19/358200219.db2.gz OCCHBVWNRNAASG-CHWSQXEVSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000423389196 358200222 /nfs/dbraw/zinc/20/02/22/358200222.db2.gz OCCHBVWNRNAASG-CHWSQXEVSA-N 2 2 283.416 0.602 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](CCc2cscn2)CC1 ZINC000294791960 199184466 /nfs/dbraw/zinc/18/44/66/199184466.db2.gz BLQLWTOERJMRRW-UHFFFAOYSA-N 2 2 282.413 0.391 20 0 CCADLP COCCOC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000515497075 358338804 /nfs/dbraw/zinc/33/88/04/358338804.db2.gz SGXWLVNOZLMOAR-BFHYXJOUSA-N 2 2 272.389 0.179 20 0 CCADLP COCCOC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000515497075 358338806 /nfs/dbraw/zinc/33/88/06/358338806.db2.gz SGXWLVNOZLMOAR-BFHYXJOUSA-N 2 2 272.389 0.179 20 0 CCADLP COCCOC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000515497075 358338808 /nfs/dbraw/zinc/33/88/08/358338808.db2.gz SGXWLVNOZLMOAR-BFHYXJOUSA-N 2 2 272.389 0.179 20 0 CCADLP COCCOC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000515497075 358338810 /nfs/dbraw/zinc/33/88/10/358338810.db2.gz SGXWLVNOZLMOAR-BFHYXJOUSA-N 2 2 272.389 0.179 20 0 CCADLP [NH3+][C@H]1C[C@@H]2CN(c3cc[nH+]c4ccncc43)CCN2C1=O ZINC000516089130 358339477 /nfs/dbraw/zinc/33/94/77/358339477.db2.gz PGVWZJGOJPDNEZ-PWSUYJOCSA-N 2 2 283.335 0.378 20 0 CCADLP COc1ccc(CC[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)cn1 ZINC000530221959 358381619 /nfs/dbraw/zinc/38/16/19/358381619.db2.gz QBWPKISPQJGRBL-GXTWGEPZSA-N 2 2 279.384 0.989 20 0 CCADLP CC(C)(C(=O)N[C@H](CO)C[NH+]1CCCCC1)c1c[nH]c[nH+]1 ZINC000565703691 358565277 /nfs/dbraw/zinc/56/52/77/358565277.db2.gz SHRMLXOKSWTUFU-LBPRGKRZSA-N 2 2 294.399 0.650 20 0 CCADLP CC(C)(C(=O)N[C@H](CO)C[NH+]1CCCCC1)c1c[nH+]c[nH]1 ZINC000565703691 358565281 /nfs/dbraw/zinc/56/52/81/358565281.db2.gz SHRMLXOKSWTUFU-LBPRGKRZSA-N 2 2 294.399 0.650 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)no1 ZINC000567709271 358575622 /nfs/dbraw/zinc/57/56/22/358575622.db2.gz RGNAPPWURPDEDJ-SNVBAGLBSA-N 2 2 289.339 0.604 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)no1 ZINC000567709271 358575625 /nfs/dbraw/zinc/57/56/25/358575625.db2.gz RGNAPPWURPDEDJ-SNVBAGLBSA-N 2 2 289.339 0.604 20 0 CCADLP CC(C)C[C@H](CO)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000567734812 358579255 /nfs/dbraw/zinc/57/92/55/358579255.db2.gz YKTNLKQKPHXVQU-LXTVHRRPSA-N 2 2 288.432 0.453 20 0 CCADLP CC(C)C[C@H](CO)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000567734812 358579258 /nfs/dbraw/zinc/57/92/58/358579258.db2.gz YKTNLKQKPHXVQU-LXTVHRRPSA-N 2 2 288.432 0.453 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)c2csc(C[NH3+])n2)CCO1 ZINC000567966562 358618989 /nfs/dbraw/zinc/61/89/89/358618989.db2.gz QXJPNFNYIGVXRZ-SECBINFHSA-N 2 2 284.385 0.052 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)c2csc(C[NH3+])n2)CCO1 ZINC000567966562 358618992 /nfs/dbraw/zinc/61/89/92/358618992.db2.gz QXJPNFNYIGVXRZ-SECBINFHSA-N 2 2 284.385 0.052 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000568050727 358628631 /nfs/dbraw/zinc/62/86/31/358628631.db2.gz CNFYJPOVFQQILI-UONOGXRCSA-N 3 2 257.422 0.763 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000568050727 358628635 /nfs/dbraw/zinc/62/86/35/358628635.db2.gz CNFYJPOVFQQILI-UONOGXRCSA-N 3 2 257.422 0.763 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000568050727 358628638 /nfs/dbraw/zinc/62/86/38/358628638.db2.gz CNFYJPOVFQQILI-UONOGXRCSA-N 3 2 257.422 0.763 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000568050727 358628640 /nfs/dbraw/zinc/62/86/40/358628640.db2.gz CNFYJPOVFQQILI-UONOGXRCSA-N 3 2 257.422 0.763 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000568050728 358628816 /nfs/dbraw/zinc/62/88/16/358628816.db2.gz CNFYJPOVFQQILI-ZIAGYGMSSA-N 3 2 257.422 0.763 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000568050728 358628817 /nfs/dbraw/zinc/62/88/17/358628817.db2.gz CNFYJPOVFQQILI-ZIAGYGMSSA-N 3 2 257.422 0.763 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000568050728 358628819 /nfs/dbraw/zinc/62/88/19/358628819.db2.gz CNFYJPOVFQQILI-ZIAGYGMSSA-N 3 2 257.422 0.763 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000568050728 358628821 /nfs/dbraw/zinc/62/88/21/358628821.db2.gz CNFYJPOVFQQILI-ZIAGYGMSSA-N 3 2 257.422 0.763 20 0 CCADLP O=C1CCCN1CCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000568166240 358638859 /nfs/dbraw/zinc/63/88/59/358638859.db2.gz GPIVPWVSXZTMQO-UHFFFAOYSA-N 2 2 277.372 0.544 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)OC)CC1 ZINC000568169785 358639842 /nfs/dbraw/zinc/63/98/42/358639842.db2.gz UEKMRSGIIHWLJL-CHWSQXEVSA-N 2 2 284.400 0.574 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)OC)CC1 ZINC000568169785 358639844 /nfs/dbraw/zinc/63/98/44/358639844.db2.gz UEKMRSGIIHWLJL-CHWSQXEVSA-N 2 2 284.400 0.574 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000567821566 358593582 /nfs/dbraw/zinc/59/35/82/358593582.db2.gz CSNYEKVDHDKVPY-FQUUOJAGSA-N 2 2 298.431 0.617 20 0 CCADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC000568200996 358645951 /nfs/dbraw/zinc/64/59/51/358645951.db2.gz FADSMCMCNPTWBR-SOUVJXGZSA-N 2 2 297.443 0.896 20 0 CCADLP CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC000568200996 358645952 /nfs/dbraw/zinc/64/59/52/358645952.db2.gz FADSMCMCNPTWBR-SOUVJXGZSA-N 2 2 297.443 0.896 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCCC2CC2)[C@@H](C[NH3+])C1 ZINC000568231721 358654128 /nfs/dbraw/zinc/65/41/28/358654128.db2.gz DQDZWTCCLLSWED-LBPRGKRZSA-N 2 2 254.378 0.461 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCCC2CC2)[C@@H](C[NH3+])C1 ZINC000568231721 358654129 /nfs/dbraw/zinc/65/41/29/358654129.db2.gz DQDZWTCCLLSWED-LBPRGKRZSA-N 2 2 254.378 0.461 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)[C@@H](C[NH3+])C1 ZINC000568372735 358667612 /nfs/dbraw/zinc/66/76/12/358667612.db2.gz NAOAXXGREAQFIG-NNYUYHANSA-N 2 2 252.362 0.069 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)[C@@H](C[NH3+])C1 ZINC000568372735 358667614 /nfs/dbraw/zinc/66/76/14/358667614.db2.gz NAOAXXGREAQFIG-NNYUYHANSA-N 2 2 252.362 0.069 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000569234834 358746214 /nfs/dbraw/zinc/74/62/14/358746214.db2.gz LYZYAPJJMNFMTC-KGLIPLIRSA-N 2 2 297.443 0.536 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000569234834 358746215 /nfs/dbraw/zinc/74/62/15/358746215.db2.gz LYZYAPJJMNFMTC-KGLIPLIRSA-N 2 2 297.443 0.536 20 0 CCADLP CC(C)C[NH+]1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000568953228 358719214 /nfs/dbraw/zinc/71/92/14/358719214.db2.gz GNOQSYCVNUSAGI-UHFFFAOYSA-N 2 2 250.346 0.683 20 0 CCADLP C[C@@H](NC(=O)CC(F)(F)C[NH3+])[C@@H](C)[NH+]1CCOCC1 ZINC000569617247 358779752 /nfs/dbraw/zinc/77/97/52/358779752.db2.gz VREQGNIMESLHOE-NXEZZACHSA-N 2 2 279.331 0.196 20 0 CCADLP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1CCCc1c[nH+]cn1C ZINC000569618517 358780418 /nfs/dbraw/zinc/78/04/18/358780418.db2.gz IJHDYKWKZHZKFU-KBPBESRZSA-N 2 2 280.416 0.740 20 0 CCADLP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1CCCc1c[nH+]cn1C ZINC000569618517 358780423 /nfs/dbraw/zinc/78/04/23/358780423.db2.gz IJHDYKWKZHZKFU-KBPBESRZSA-N 2 2 280.416 0.740 20 0 CCADLP C[C@H]1C[N@H+](CCCc2c[nH+]cn2C)[C@@H](C)CN1CCO ZINC000569618517 358780426 /nfs/dbraw/zinc/78/04/26/358780426.db2.gz IJHDYKWKZHZKFU-KBPBESRZSA-N 2 2 280.416 0.740 20 0 CCADLP C[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)[C@@H](C)CN1CCO ZINC000569618517 358780431 /nfs/dbraw/zinc/78/04/31/358780431.db2.gz IJHDYKWKZHZKFU-KBPBESRZSA-N 2 2 280.416 0.740 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@H+](CCOc3ccccc3)CCN2C1=O ZINC000569710098 358788144 /nfs/dbraw/zinc/78/81/44/358788144.db2.gz MTPCOZLYGKLEPG-JSGCOSHPSA-N 2 2 275.352 0.309 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CCOc3ccccc3)CCN2C1=O ZINC000569710098 358788146 /nfs/dbraw/zinc/78/81/46/358788146.db2.gz MTPCOZLYGKLEPG-JSGCOSHPSA-N 2 2 275.352 0.309 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH2+]C[C@@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)O1 ZINC000570510030 358864063 /nfs/dbraw/zinc/86/40/63/358864063.db2.gz UAXSBWQULHWYRQ-RYPNDVFKSA-N 2 2 286.416 0.614 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@H]2CCCN(CCCO)C2)n1C ZINC000570345730 358850105 /nfs/dbraw/zinc/85/01/05/358850105.db2.gz UMIAPLNRVQPUHZ-ZDUSSCGKSA-N 2 2 266.389 0.665 20 0 CCADLP C[N@H+](CCC[NH3+])Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000570683125 358883821 /nfs/dbraw/zinc/88/38/21/358883821.db2.gz ZLYZAHNJIJIRGX-UHFFFAOYSA-N 3 2 278.404 0.009 20 0 CCADLP C[N@@H+](CCC[NH3+])Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000570683125 358883824 /nfs/dbraw/zinc/88/38/24/358883824.db2.gz ZLYZAHNJIJIRGX-UHFFFAOYSA-N 3 2 278.404 0.009 20 0 CCADLP COc1ccsc1CN1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000570966901 358899239 /nfs/dbraw/zinc/89/92/39/358899239.db2.gz ZAPNNNWSFKOGMI-JTQLQIEISA-N 2 2 255.387 0.831 20 0 CCADLP COc1ccsc1CN1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000570966901 358899244 /nfs/dbraw/zinc/89/92/44/358899244.db2.gz ZAPNNNWSFKOGMI-JTQLQIEISA-N 2 2 255.387 0.831 20 0 CCADLP Cc1cc(C)c(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c(=O)[nH]1 ZINC000571012949 358902472 /nfs/dbraw/zinc/90/24/72/358902472.db2.gz YFHMDGYMJXZDHV-CYBMUJFWSA-N 2 2 279.384 0.949 20 0 CCADLP Cc1cc(C)c(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c(=O)[nH]1 ZINC000571012949 358902475 /nfs/dbraw/zinc/90/24/75/358902475.db2.gz YFHMDGYMJXZDHV-CYBMUJFWSA-N 2 2 279.384 0.949 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000571042981 358906314 /nfs/dbraw/zinc/90/63/14/358906314.db2.gz XKGOGGBOYWBGAP-NWDGAFQWSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000571042981 358906318 /nfs/dbraw/zinc/90/63/18/358906318.db2.gz XKGOGGBOYWBGAP-NWDGAFQWSA-N 2 2 269.389 0.211 20 0 CCADLP CC1CCN(C(=O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)CC1 ZINC000573516327 358974430 /nfs/dbraw/zinc/97/44/30/358974430.db2.gz XPBWUTXKRIUGIO-UHFFFAOYSA-N 2 2 291.399 0.790 20 0 CCADLP COc1cc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])ccc1F ZINC000562761124 291167026 /nfs/dbraw/zinc/16/70/26/291167026.db2.gz LGDAUWVSESXKBO-LLVKDONJSA-N 2 2 296.346 0.941 20 0 CCADLP COc1cc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])ccc1F ZINC000562761124 291167027 /nfs/dbraw/zinc/16/70/27/291167027.db2.gz LGDAUWVSESXKBO-LLVKDONJSA-N 2 2 296.346 0.941 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCc2cccc(F)c2)[C@H](C[NH3+])C1 ZINC000573073837 358934760 /nfs/dbraw/zinc/93/47/60/358934760.db2.gz HDRLXVUAPJEUNR-CQSZACIVSA-N 2 2 294.374 0.653 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCc2cccc(F)c2)[C@H](C[NH3+])C1 ZINC000573073837 358934766 /nfs/dbraw/zinc/93/47/66/358934766.db2.gz HDRLXVUAPJEUNR-CQSZACIVSA-N 2 2 294.374 0.653 20 0 CCADLP CC[C@@]1(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CCC[NH2+]1 ZINC000573092592 358937848 /nfs/dbraw/zinc/93/78/48/358937848.db2.gz CGMHSRWXCITRJW-JSGCOSHPSA-N 2 2 269.389 0.356 20 0 CCADLP CC[C@@]1(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CCC[NH2+]1 ZINC000573092592 358937850 /nfs/dbraw/zinc/93/78/50/358937850.db2.gz CGMHSRWXCITRJW-JSGCOSHPSA-N 2 2 269.389 0.356 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCc2ccco2)[C@@H](C[NH3+])C1 ZINC000573188602 358944662 /nfs/dbraw/zinc/94/46/62/358944662.db2.gz GIKJFPZZEWCSTG-JTQLQIEISA-N 2 2 252.318 0.064 20 0 CCADLP C[N@H+]1CCN(C(=O)NCc2ccco2)[C@@H](C[NH3+])C1 ZINC000573188602 358944668 /nfs/dbraw/zinc/94/46/68/358944668.db2.gz GIKJFPZZEWCSTG-JTQLQIEISA-N 2 2 252.318 0.064 20 0 CCADLP C[C@@H]1CSC[C@H]1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000573190369 358945912 /nfs/dbraw/zinc/94/59/12/358945912.db2.gz RPKAQRJLULRGNX-OUAUKWLOSA-N 2 2 272.418 0.022 20 0 CCADLP C[C@@H]1CSC[C@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000573190369 358945914 /nfs/dbraw/zinc/94/59/14/358945914.db2.gz RPKAQRJLULRGNX-OUAUKWLOSA-N 2 2 272.418 0.022 20 0 CCADLP CCC(C)(C)OCCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000574060194 359025129 /nfs/dbraw/zinc/02/51/29/359025129.db2.gz FFCYYTSAPDGNMZ-GFCCVEGCSA-N 2 2 286.420 0.476 20 0 CCADLP CCC(C)(C)OCCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000574060194 359025133 /nfs/dbraw/zinc/02/51/33/359025133.db2.gz FFCYYTSAPDGNMZ-GFCCVEGCSA-N 2 2 286.420 0.476 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CC2(CC(N)=O)CC2)C[N@@H+]1C1CC1 ZINC000574187431 359037183 /nfs/dbraw/zinc/03/71/83/359037183.db2.gz NEIBTPMDYIFJKI-QWRGUYRKSA-N 2 2 251.374 0.857 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CC2(CC(N)=O)CC2)C[N@H+]1C1CC1 ZINC000574187431 359037187 /nfs/dbraw/zinc/03/71/87/359037187.db2.gz NEIBTPMDYIFJKI-QWRGUYRKSA-N 2 2 251.374 0.857 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000573636684 358987211 /nfs/dbraw/zinc/98/72/11/358987211.db2.gz QRPUIDIMAOFBCK-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000573636684 358987212 /nfs/dbraw/zinc/98/72/12/358987212.db2.gz QRPUIDIMAOFBCK-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000573697368 358991887 /nfs/dbraw/zinc/99/18/87/358991887.db2.gz SPPLQMVNEMUCBJ-MELADBBJSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000573697368 358991888 /nfs/dbraw/zinc/99/18/88/358991888.db2.gz SPPLQMVNEMUCBJ-MELADBBJSA-N 2 2 283.416 0.648 20 0 CCADLP CCc1ccnc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000562812371 291168890 /nfs/dbraw/zinc/16/88/90/291168890.db2.gz SQEUJLIZZNXPRH-CQSZACIVSA-N 2 2 291.399 0.428 20 0 CCADLP CCc1ccnc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000562812371 291168891 /nfs/dbraw/zinc/16/88/91/291168891.db2.gz SQEUJLIZZNXPRH-CQSZACIVSA-N 2 2 291.399 0.428 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)NCC2=CC[NH2+]CC2)CCO1 ZINC000562796836 291167662 /nfs/dbraw/zinc/16/76/62/291167662.db2.gz JVDVDMIEVCVDTH-UHFFFAOYSA-N 2 2 296.415 0.316 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)NCC2=CC[NH2+]CC2)CCO1 ZINC000562796836 291167663 /nfs/dbraw/zinc/16/76/63/291167663.db2.gz JVDVDMIEVCVDTH-UHFFFAOYSA-N 2 2 296.415 0.316 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000580894677 359106133 /nfs/dbraw/zinc/10/61/33/359106133.db2.gz LFDGDJYVHRNXBD-RDBSUJKOSA-N 2 2 283.416 0.457 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000580894677 359106138 /nfs/dbraw/zinc/10/61/38/359106138.db2.gz LFDGDJYVHRNXBD-RDBSUJKOSA-N 2 2 283.416 0.457 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1=CC[N@H+](C)CC1 ZINC000579851119 359055519 /nfs/dbraw/zinc/05/55/19/359055519.db2.gz IPARTFNWIMLGQH-LLVKDONJSA-N 2 2 262.357 0.966 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000579851119 359055523 /nfs/dbraw/zinc/05/55/23/359055523.db2.gz IPARTFNWIMLGQH-LLVKDONJSA-N 2 2 262.357 0.966 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1=CC[N@H+](C)CC1 ZINC000579851119 359055527 /nfs/dbraw/zinc/05/55/27/359055527.db2.gz IPARTFNWIMLGQH-LLVKDONJSA-N 2 2 262.357 0.966 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000579851119 359055531 /nfs/dbraw/zinc/05/55/31/359055531.db2.gz IPARTFNWIMLGQH-LLVKDONJSA-N 2 2 262.357 0.966 20 0 CCADLP CC(C)C1(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000582290575 359129803 /nfs/dbraw/zinc/12/98/03/359129803.db2.gz HOVIMDHXMUUJBF-LBPRGKRZSA-N 2 2 268.405 0.707 20 0 CCADLP CC(C)C1(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000582290575 359129805 /nfs/dbraw/zinc/12/98/05/359129805.db2.gz HOVIMDHXMUUJBF-LBPRGKRZSA-N 2 2 268.405 0.707 20 0 CCADLP CO[C@@H]1C[C@@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1(C)C ZINC000582350169 359135964 /nfs/dbraw/zinc/13/59/64/359135964.db2.gz SOAMXQVLKUHUBL-QJPTWQEYSA-N 2 2 284.404 0.084 20 0 CCADLP CO[C@@H]1C[C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1(C)C ZINC000582350169 359135966 /nfs/dbraw/zinc/13/59/66/359135966.db2.gz SOAMXQVLKUHUBL-QJPTWQEYSA-N 2 2 284.404 0.084 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@](O)(C(F)F)C1 ZINC000582368887 359139958 /nfs/dbraw/zinc/13/99/58/359139958.db2.gz UOEDLGOSHCLUIL-MWLCHTKSSA-N 2 2 252.305 0.001 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@](O)(C(F)F)C1 ZINC000582368887 359139964 /nfs/dbraw/zinc/13/99/64/359139964.db2.gz UOEDLGOSHCLUIL-MWLCHTKSSA-N 2 2 252.305 0.001 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000582368887 359139971 /nfs/dbraw/zinc/13/99/71/359139971.db2.gz UOEDLGOSHCLUIL-MWLCHTKSSA-N 2 2 252.305 0.001 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000582368887 359139978 /nfs/dbraw/zinc/13/99/78/359139978.db2.gz UOEDLGOSHCLUIL-MWLCHTKSSA-N 2 2 252.305 0.001 20 0 CCADLP COc1ccccc1OCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000584589531 359176810 /nfs/dbraw/zinc/17/68/10/359176810.db2.gz XFMIWTGXTLZSGK-GFCCVEGCSA-N 2 2 293.367 0.175 20 0 CCADLP COc1ccccc1OCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000584589531 359176812 /nfs/dbraw/zinc/17/68/12/359176812.db2.gz XFMIWTGXTLZSGK-GFCCVEGCSA-N 2 2 293.367 0.175 20 0 CCADLP C[NH+](C)CCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000584783920 359206908 /nfs/dbraw/zinc/20/69/08/359206908.db2.gz YWTMVMXKOYXGLE-LBPRGKRZSA-N 2 2 276.384 0.998 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C(C)C)[C@H]1CCOC1 ZINC000584788782 359207738 /nfs/dbraw/zinc/20/77/38/359207738.db2.gz QRCCNMMJIIRGON-KBPBESRZSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C(C)C)[C@H]1CCOC1 ZINC000584788782 359207742 /nfs/dbraw/zinc/20/77/42/359207742.db2.gz QRCCNMMJIIRGON-KBPBESRZSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C(C)C)[C@H]1CCOC1 ZINC000584788782 359207748 /nfs/dbraw/zinc/20/77/48/359207748.db2.gz QRCCNMMJIIRGON-KBPBESRZSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C(C)C)[C@H]1CCOC1 ZINC000584788782 359207751 /nfs/dbraw/zinc/20/77/51/359207751.db2.gz QRCCNMMJIIRGON-KBPBESRZSA-N 2 2 274.405 0.425 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]C[C@@H](O)CC1CCCC1 ZINC000584839757 359215553 /nfs/dbraw/zinc/21/55/53/359215553.db2.gz SOHMDQHLASIUQT-AWEZNQCLSA-N 2 2 258.406 0.831 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]C[C@@H](O)CC1CCCC1 ZINC000584839757 359215556 /nfs/dbraw/zinc/21/55/56/359215556.db2.gz SOHMDQHLASIUQT-AWEZNQCLSA-N 2 2 258.406 0.831 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000584847544 359218184 /nfs/dbraw/zinc/21/81/84/359218184.db2.gz QODOQQKYJPKLCT-MJBXVCDLSA-N 2 2 297.399 0.622 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000584847544 359218189 /nfs/dbraw/zinc/21/81/89/359218189.db2.gz QODOQQKYJPKLCT-MJBXVCDLSA-N 2 2 297.399 0.622 20 0 CCADLP CSC[C@@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000585718330 359266739 /nfs/dbraw/zinc/26/67/39/359266739.db2.gz CYUWVETXTLGHFB-KBPBESRZSA-N 2 2 288.457 0.897 20 0 CCADLP CSC[C@@H](O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000585718330 359266747 /nfs/dbraw/zinc/26/67/47/359266747.db2.gz CYUWVETXTLGHFB-KBPBESRZSA-N 2 2 288.457 0.897 20 0 CCADLP COC(=O)c1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)n(C)c1C ZINC000589730478 359399537 /nfs/dbraw/zinc/39/95/37/359399537.db2.gz BAWPDEMNSLXJLL-RYUDHWBXSA-N 2 2 277.368 0.771 20 0 CCADLP CCOC(=O)c1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)nc1 ZINC000590687065 359507865 /nfs/dbraw/zinc/50/78/65/359507865.db2.gz PXFMZGKFEFNUAE-CHWSQXEVSA-N 2 2 275.352 0.910 20 0 CCADLP CS[C@@H]1CN(c2nc[nH+]c3c2OCCN3)C[C@H]1[NH+](C)C ZINC000591151365 359563892 /nfs/dbraw/zinc/56/38/92/359563892.db2.gz KJBMKBCKPRYTKB-NXEZZACHSA-N 2 2 295.412 0.763 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2C)CC1 ZINC000296813637 200005158 /nfs/dbraw/zinc/00/51/58/200005158.db2.gz NEJORVLPBQGRAO-HNNXBMFYSA-N 2 2 291.395 0.785 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](CCO)C2)CC1 ZINC000591476301 359598122 /nfs/dbraw/zinc/59/81/22/359598122.db2.gz MFNLVJHRPWIGBP-HUUCEWRRSA-N 2 2 297.443 0.633 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](CCO)C2)CC1 ZINC000591476301 359598129 /nfs/dbraw/zinc/59/81/29/359598129.db2.gz MFNLVJHRPWIGBP-HUUCEWRRSA-N 2 2 297.443 0.633 20 0 CCADLP CNC(=O)N1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000336234102 213065206 /nfs/dbraw/zinc/06/52/06/213065206.db2.gz UQVRRUUCJHHZOQ-LBPRGKRZSA-N 2 2 254.378 0.428 20 0 CCADLP CNC(=O)N1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000336234102 213065209 /nfs/dbraw/zinc/06/52/09/213065209.db2.gz UQVRRUUCJHHZOQ-LBPRGKRZSA-N 2 2 254.378 0.428 20 0 CCADLP O=C1CNC(=O)N1CCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591869397 359670319 /nfs/dbraw/zinc/67/03/19/359670319.db2.gz UBVBTSNBORNVCA-LBPRGKRZSA-N 2 2 291.355 0.462 20 0 CCADLP O=C1CNC(=O)N1CCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591869397 359670320 /nfs/dbraw/zinc/67/03/20/359670320.db2.gz UBVBTSNBORNVCA-LBPRGKRZSA-N 2 2 291.355 0.462 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000297234650 200122047 /nfs/dbraw/zinc/12/20/47/200122047.db2.gz NKLGVYWOHRHOMI-CYBMUJFWSA-N 2 2 274.324 0.281 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000297234650 200122049 /nfs/dbraw/zinc/12/20/49/200122049.db2.gz NKLGVYWOHRHOMI-CYBMUJFWSA-N 2 2 274.324 0.281 20 0 CCADLP COCC[NH+]1CCC(NC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492857259 237318313 /nfs/dbraw/zinc/31/83/13/237318313.db2.gz CYLUPLDFULWROK-IHWYPQMZSA-N 2 2 278.356 0.650 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000493021156 237366397 /nfs/dbraw/zinc/36/63/97/237366397.db2.gz UBJKQCNBLFSGBE-NQHOJNORSA-N 2 2 290.367 0.746 20 0 CCADLP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ncc[nH]2)CC1 ZINC000329285950 202267057 /nfs/dbraw/zinc/26/70/57/202267057.db2.gz PBIMJBCIUZMONR-STQMWFEESA-N 2 2 264.373 0.877 20 0 CCADLP O[C@H]1CCC[C@@H]1[NH+]1CCC(NCc2[nH]cc[nH+]2)CC1 ZINC000329285950 202267059 /nfs/dbraw/zinc/26/70/59/202267059.db2.gz PBIMJBCIUZMONR-STQMWFEESA-N 2 2 264.373 0.877 20 0 CCADLP C[NH+](C)C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC000329298761 202272008 /nfs/dbraw/zinc/27/20/08/202272008.db2.gz UUJJGXTWMLXBKP-LBPRGKRZSA-N 2 2 266.345 0.131 20 0 CCADLP C[NH+](C)C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC000329298761 202272011 /nfs/dbraw/zinc/27/20/11/202272011.db2.gz UUJJGXTWMLXBKP-LBPRGKRZSA-N 2 2 266.345 0.131 20 0 CCADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H]([NH3+])C(C)C)C2)CC1 ZINC000592134435 359763212 /nfs/dbraw/zinc/76/32/12/359763212.db2.gz VBKJSAINIONCMB-HUUCEWRRSA-N 2 2 296.459 0.598 20 0 CCADLP COC(=O)C[C@H]([NH3+])c1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000592353422 359823877 /nfs/dbraw/zinc/82/38/77/359823877.db2.gz AYAIXDPPVCPOJQ-YUMQZZPRSA-N 2 2 256.306 0.678 20 0 CCADLP C[C@H]1C[N@H+](CCSC[C@H]2C[NH+](C)CCO2)CCO1 ZINC000592359033 359824817 /nfs/dbraw/zinc/82/48/17/359824817.db2.gz OOWXBIGNAGRSAS-QWHCGFSZSA-N 2 2 274.430 0.771 20 0 CCADLP C[C@H]1C[N@@H+](CCSC[C@H]2C[NH+](C)CCO2)CCO1 ZINC000592359033 359824825 /nfs/dbraw/zinc/82/48/25/359824825.db2.gz OOWXBIGNAGRSAS-QWHCGFSZSA-N 2 2 274.430 0.771 20 0 CCADLP C[C@H]1C[NH+](CCSC[C@H]2C[N@H+](C)CCO2)CCO1 ZINC000592359033 359824830 /nfs/dbraw/zinc/82/48/30/359824830.db2.gz OOWXBIGNAGRSAS-QWHCGFSZSA-N 2 2 274.430 0.771 20 0 CCADLP C[C@H]1C[NH+](CCSC[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC000592359033 359824837 /nfs/dbraw/zinc/82/48/37/359824837.db2.gz OOWXBIGNAGRSAS-QWHCGFSZSA-N 2 2 274.430 0.771 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000563171441 291202492 /nfs/dbraw/zinc/20/24/92/291202492.db2.gz XEROIINIFMTCKQ-SGMGOOAPSA-N 2 2 283.416 0.872 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000563171441 291202493 /nfs/dbraw/zinc/20/24/93/291202493.db2.gz XEROIINIFMTCKQ-SGMGOOAPSA-N 2 2 283.416 0.872 20 0 CCADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC2CC2)CC[C@@H]1[NH3+] ZINC000592487884 359854927 /nfs/dbraw/zinc/85/49/27/359854927.db2.gz AMLKJDHOLJMGIX-FOGDFJRCSA-N 2 2 282.388 0.422 20 0 CCADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC2CC2)CC[C@@H]1[NH3+] ZINC000592487884 359854933 /nfs/dbraw/zinc/85/49/33/359854933.db2.gz AMLKJDHOLJMGIX-FOGDFJRCSA-N 2 2 282.388 0.422 20 0 CCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000592504095 359863764 /nfs/dbraw/zinc/86/37/64/359863764.db2.gz MLCRLJKVWQYGLA-UONOGXRCSA-N 2 2 297.447 0.016 20 0 CCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000592504095 359863770 /nfs/dbraw/zinc/86/37/70/359863770.db2.gz MLCRLJKVWQYGLA-UONOGXRCSA-N 2 2 297.447 0.016 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2cccc3cccnc32)[C@H](C[NH3+])C1 ZINC000563202816 291205109 /nfs/dbraw/zinc/20/51/09/291205109.db2.gz AXMDGBWACRJIQQ-OAHLLOKOSA-N 2 2 298.390 0.879 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2cccc3cccnc32)[C@H](C[NH3+])C1 ZINC000563202816 291205110 /nfs/dbraw/zinc/20/51/10/291205110.db2.gz AXMDGBWACRJIQQ-OAHLLOKOSA-N 2 2 298.390 0.879 20 0 CCADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000262060645 291210396 /nfs/dbraw/zinc/21/03/96/291210396.db2.gz AUEKLJRUDUIXPR-WXHSDQCUSA-N 2 2 297.424 0.844 20 0 CCADLP CC(C)[C@H]1CN(C(=O)C(C)(C)[NH+]2CCOCC2)CC[NH2+]1 ZINC000621158041 366660041 /nfs/dbraw/zinc/66/00/41/366660041.db2.gz HSOOBPUPWPBRBN-CYBMUJFWSA-N 2 2 283.416 0.554 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](CCCn2cc[nH+]c2)C[C@H](C)O1 ZINC000593086886 360031534 /nfs/dbraw/zinc/03/15/34/360031534.db2.gz JWVBDFBUYDSRKD-RYUDHWBXSA-N 2 2 267.329 0.536 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)C[C@H](C)O1 ZINC000593086886 360031538 /nfs/dbraw/zinc/03/15/38/360031538.db2.gz JWVBDFBUYDSRKD-RYUDHWBXSA-N 2 2 267.329 0.536 20 0 CCADLP COCCn1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cn1 ZINC000563349877 291215464 /nfs/dbraw/zinc/21/54/64/291215464.db2.gz KKXYSCDVCOTDMB-YPMHNXCESA-N 2 2 252.362 0.841 20 0 CCADLP COCCn1cc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cn1 ZINC000563349877 291215465 /nfs/dbraw/zinc/21/54/65/291215465.db2.gz KKXYSCDVCOTDMB-YPMHNXCESA-N 2 2 252.362 0.841 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000563353563 291215986 /nfs/dbraw/zinc/21/59/86/291215986.db2.gz CUCIPFDTKQEGBZ-CYBMUJFWSA-N 2 2 271.405 0.099 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000563353563 291215987 /nfs/dbraw/zinc/21/59/87/291215987.db2.gz CUCIPFDTKQEGBZ-CYBMUJFWSA-N 2 2 271.405 0.099 20 0 CCADLP Cc1cc(NC[C@H](O)C[NH+]2CCOCC2)nc(C)[nH+]1 ZINC000298285880 200383813 /nfs/dbraw/zinc/38/38/13/200383813.db2.gz VZFLDUOBZMFGQS-LBPRGKRZSA-N 2 2 266.345 0.198 20 0 CCADLP COC(=O)Cc1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000593901220 360199921 /nfs/dbraw/zinc/19/99/21/360199921.db2.gz BZNRAWFSFUAEDO-CYBMUJFWSA-N 2 2 293.367 0.620 20 0 CCADLP COC(=O)Cc1cccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000593904039 360201971 /nfs/dbraw/zinc/20/19/71/360201971.db2.gz QGJHTBOATZEGNL-ZDUSSCGKSA-N 2 2 293.367 0.620 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c(C)o1 ZINC000594613048 360339537 /nfs/dbraw/zinc/33/95/37/360339537.db2.gz SPRBNPNIFVTAQN-AWEZNQCLSA-N 2 2 282.340 0.531 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c(C)o1 ZINC000594613048 360339542 /nfs/dbraw/zinc/33/95/42/360339542.db2.gz SPRBNPNIFVTAQN-AWEZNQCLSA-N 2 2 282.340 0.531 20 0 CCADLP CCOC(=O)CCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595864625 360684413 /nfs/dbraw/zinc/68/44/13/360684413.db2.gz UQPJWGIECQIVTD-AWEZNQCLSA-N 2 2 284.400 0.861 20 0 CCADLP CCOC(=O)CCC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595864625 360684417 /nfs/dbraw/zinc/68/44/17/360684417.db2.gz UQPJWGIECQIVTD-AWEZNQCLSA-N 2 2 284.400 0.861 20 0 CCADLP CCOC(=O)CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595869065 360685959 /nfs/dbraw/zinc/68/59/59/360685959.db2.gz UDQYLLWGOMCZNJ-ZDUSSCGKSA-N 2 2 270.373 0.471 20 0 CCADLP CCOC(=O)CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595869065 360685961 /nfs/dbraw/zinc/68/59/61/360685961.db2.gz UDQYLLWGOMCZNJ-ZDUSSCGKSA-N 2 2 270.373 0.471 20 0 CCADLP CCOC(=O)[C@@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000595893510 360693515 /nfs/dbraw/zinc/69/35/15/360693515.db2.gz RXEQLZOXWNYCDN-VXGBXAGGSA-N 2 2 256.346 0.250 20 0 CCADLP CCOC(=O)[C@@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000595893510 360693521 /nfs/dbraw/zinc/69/35/21/360693521.db2.gz RXEQLZOXWNYCDN-VXGBXAGGSA-N 2 2 256.346 0.250 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000563529881 291235203 /nfs/dbraw/zinc/23/52/03/291235203.db2.gz KBBCBSCAUUVOQW-JKSUJKDBSA-N 2 2 277.412 0.425 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000563529881 291235206 /nfs/dbraw/zinc/23/52/06/291235206.db2.gz KBBCBSCAUUVOQW-JKSUJKDBSA-N 2 2 277.412 0.425 20 0 CCADLP COC[C@@]1(C(=O)OC)CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000595904671 360699464 /nfs/dbraw/zinc/69/94/64/360699464.db2.gz KJPKZKGDPPRPCY-WCQYABFASA-N 2 2 256.346 0.250 20 0 CCADLP COC[C@@]1(C(=O)OC)CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000595904671 360699466 /nfs/dbraw/zinc/69/94/66/360699466.db2.gz KJPKZKGDPPRPCY-WCQYABFASA-N 2 2 256.346 0.250 20 0 CCADLP C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000178722467 189140362 /nfs/dbraw/zinc/14/03/62/189140362.db2.gz XACVDUFMQXYHBP-CQSZACIVSA-N 2 2 276.340 0.377 20 0 CCADLP C[NH2+]CC(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000178773843 189144581 /nfs/dbraw/zinc/14/45/81/189144581.db2.gz UYKCPRNDTCNRCK-AWEZNQCLSA-N 2 2 277.368 0.084 20 0 CCADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+] ZINC000563591212 291239635 /nfs/dbraw/zinc/23/96/35/291239635.db2.gz FGMIGNSRFQGQGQ-KGLIPLIRSA-N 3 2 299.463 0.391 20 0 CCADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+] ZINC000563591212 291239636 /nfs/dbraw/zinc/23/96/36/291239636.db2.gz FGMIGNSRFQGQGQ-KGLIPLIRSA-N 3 2 299.463 0.391 20 0 CCADLP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000563591212 291239638 /nfs/dbraw/zinc/23/96/38/291239638.db2.gz FGMIGNSRFQGQGQ-KGLIPLIRSA-N 3 2 299.463 0.391 20 0 CCADLP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000563591212 291239639 /nfs/dbraw/zinc/23/96/39/291239639.db2.gz FGMIGNSRFQGQGQ-KGLIPLIRSA-N 3 2 299.463 0.391 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563711646 291248121 /nfs/dbraw/zinc/24/81/21/291248121.db2.gz ANZCRGWWWNBVPD-NHYWBVRUSA-N 2 2 294.399 0.439 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563711646 291248122 /nfs/dbraw/zinc/24/81/22/291248122.db2.gz ANZCRGWWWNBVPD-NHYWBVRUSA-N 2 2 294.399 0.439 20 0 CCADLP Cc1c[nH+]c(C)nc1NC[C@@H](C)C[NH+]1CCOCC1 ZINC000563820075 291253199 /nfs/dbraw/zinc/25/31/99/291253199.db2.gz BTPLGNZDYOPYQP-LLVKDONJSA-N 2 2 264.373 0.896 20 0 CCADLP CC1([NH3+])CC[NH+]([C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000631824859 370691338 /nfs/dbraw/zinc/69/13/38/370691338.db2.gz SJXVOKQFEQHDHF-LBPRGKRZSA-N 2 2 251.374 0.953 20 0 CCADLP Cn1c2cc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)ccc2oc1=O ZINC000631825222 370691849 /nfs/dbraw/zinc/69/18/49/370691849.db2.gz CFOVIHPPDOBVHQ-TXEJJXNPSA-N 2 2 273.336 0.783 20 0 CCADLP Cn1c2cc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)ccc2oc1=O ZINC000631825222 370691854 /nfs/dbraw/zinc/69/18/54/370691854.db2.gz CFOVIHPPDOBVHQ-TXEJJXNPSA-N 2 2 273.336 0.783 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC(C)(C)CC[C@@H]2CO)CC1 ZINC000621377741 366756053 /nfs/dbraw/zinc/75/60/53/366756053.db2.gz FLCVSKZWGOTHGF-CYBMUJFWSA-N 2 2 283.416 0.243 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC(C)(C)CC[C@@H]2CO)CC1 ZINC000621377741 366756057 /nfs/dbraw/zinc/75/60/57/366756057.db2.gz FLCVSKZWGOTHGF-CYBMUJFWSA-N 2 2 283.416 0.243 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@H](CO)C2)CC1 ZINC000621362812 366749381 /nfs/dbraw/zinc/74/93/81/366749381.db2.gz AISLFHDPEUMING-ILXRZTDVSA-N 2 2 297.443 0.489 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@H](CO)C2)CC1 ZINC000621362812 366749385 /nfs/dbraw/zinc/74/93/85/366749385.db2.gz AISLFHDPEUMING-ILXRZTDVSA-N 2 2 297.443 0.489 20 0 CCADLP CN(C)c1cc[nH+]c(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC000301675236 201131037 /nfs/dbraw/zinc/13/10/37/201131037.db2.gz HHFNDNJKSKBUET-ZDUSSCGKSA-N 2 2 291.399 0.701 20 0 CCADLP C[C@@H](CN1CC[NH+](C)CC1)Nc1nc(N(C)C)cc[nH+]1 ZINC000301729088 201163922 /nfs/dbraw/zinc/16/39/22/201163922.db2.gz NYWIENJQVXVDCT-LBPRGKRZSA-N 2 2 278.404 0.590 20 0 CCADLP CC[C@H](Cn1cncn1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000564438902 291279324 /nfs/dbraw/zinc/27/93/24/291279324.db2.gz MLUUUPPUZIANBH-VXGBXAGGSA-N 2 2 260.345 0.858 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000599341587 361660781 /nfs/dbraw/zinc/66/07/81/361660781.db2.gz KWCRBOQWVJAXSA-LBPRGKRZSA-N 2 2 281.356 0.903 20 0 CCADLP COC(=O)CCCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000599451034 361707380 /nfs/dbraw/zinc/70/73/80/361707380.db2.gz SKRDBAZCEGDHCZ-UHFFFAOYSA-N 2 2 285.388 0.036 20 0 CCADLP COC(=O)CCCC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000599451034 361707384 /nfs/dbraw/zinc/70/73/84/361707384.db2.gz SKRDBAZCEGDHCZ-UHFFFAOYSA-N 2 2 285.388 0.036 20 0 CCADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000564659084 291292064 /nfs/dbraw/zinc/29/20/64/291292064.db2.gz OWLZFMDJJFPHKS-STQMWFEESA-N 2 2 285.432 0.848 20 0 CCADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000564659084 291292066 /nfs/dbraw/zinc/29/20/66/291292066.db2.gz OWLZFMDJJFPHKS-STQMWFEESA-N 2 2 285.432 0.848 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612970652 364060290 /nfs/dbraw/zinc/06/02/90/364060290.db2.gz PCHMTSSMNBMXRF-ZDUSSCGKSA-N 2 2 296.415 0.102 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000631834843 370700631 /nfs/dbraw/zinc/70/06/31/370700631.db2.gz HANKDTVTOQGSHB-CQSZACIVSA-N 3 2 282.432 0.354 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000631834843 370700636 /nfs/dbraw/zinc/70/06/36/370700636.db2.gz HANKDTVTOQGSHB-CQSZACIVSA-N 3 2 282.432 0.354 20 0 CCADLP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)[C@@H](O)C(F)(F)F ZINC000564799254 291301494 /nfs/dbraw/zinc/30/14/94/291301494.db2.gz QJRYBAVFXUROBE-OUAUKWLOSA-N 2 2 284.322 0.733 20 0 CCADLP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H](O)C(F)(F)F ZINC000564799254 291301496 /nfs/dbraw/zinc/30/14/96/291301496.db2.gz QJRYBAVFXUROBE-OUAUKWLOSA-N 2 2 284.322 0.733 20 0 CCADLP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)[C@@H](O)C(F)(F)F ZINC000564799253 291301521 /nfs/dbraw/zinc/30/15/21/291301521.db2.gz QJRYBAVFXUROBE-GARJFASQSA-N 2 2 284.322 0.733 20 0 CCADLP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)[C@@H](O)C(F)(F)F ZINC000564799253 291301522 /nfs/dbraw/zinc/30/15/22/291301522.db2.gz QJRYBAVFXUROBE-GARJFASQSA-N 2 2 284.322 0.733 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(c2cccc(F)c2)CC1 ZINC000631880193 370733872 /nfs/dbraw/zinc/73/38/72/370733872.db2.gz PGRVWSJNSVWEEG-OAHLLOKOSA-N 2 2 281.375 0.918 20 0 CCADLP CC(C)CCNC(=O)[C@H](C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631864284 370725249 /nfs/dbraw/zinc/72/52/49/370725249.db2.gz MNCVBYYHDWPCPB-ZDUSSCGKSA-N 2 2 285.432 0.584 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)NCC1CCC1 ZINC000631886671 370736527 /nfs/dbraw/zinc/73/65/27/370736527.db2.gz IZSQFOCMADOTAQ-ZIAGYGMSSA-N 2 2 265.401 0.977 20 0 CCADLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)NCC1CCC1 ZINC000631886671 370736534 /nfs/dbraw/zinc/73/65/34/370736534.db2.gz IZSQFOCMADOTAQ-ZIAGYGMSSA-N 2 2 265.401 0.977 20 0 CCADLP CC(C)(C)NC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631887281 370738601 /nfs/dbraw/zinc/73/86/01/370738601.db2.gz QCNRFPYWUFFPTP-NEPJUHHUSA-N 2 2 253.390 0.975 20 0 CCADLP CC(C)(C)NC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631887281 370738603 /nfs/dbraw/zinc/73/86/03/370738603.db2.gz QCNRFPYWUFFPTP-NEPJUHHUSA-N 2 2 253.390 0.975 20 0 CCADLP C[C@H](C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)CS(C)(=O)=O ZINC000631886879 370738726 /nfs/dbraw/zinc/73/87/26/370738726.db2.gz KKJFXUKDPGHVQJ-UPJWGTAASA-N 2 2 274.430 0.741 20 0 CCADLP C[C@H](C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)CS(C)(=O)=O ZINC000631886879 370738729 /nfs/dbraw/zinc/73/87/29/370738729.db2.gz KKJFXUKDPGHVQJ-UPJWGTAASA-N 2 2 274.430 0.741 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000614124305 364509411 /nfs/dbraw/zinc/50/94/11/364509411.db2.gz LGNNEQOKCJVVLE-YVECIDJPSA-N 2 2 274.368 0.544 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000614124305 364509412 /nfs/dbraw/zinc/50/94/12/364509412.db2.gz LGNNEQOKCJVVLE-YVECIDJPSA-N 2 2 274.368 0.544 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000614092200 364501469 /nfs/dbraw/zinc/50/14/69/364501469.db2.gz IJTNKRQUGVINOP-OLZOCXBDSA-N 2 2 280.347 0.607 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000335642303 212357468 /nfs/dbraw/zinc/35/74/68/212357468.db2.gz YLRSLPGWXVFOAF-MNOVXSKESA-N 2 2 265.361 0.795 20 0 CCADLP C[NH+]1CCC2(CCN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC000614960135 364795104 /nfs/dbraw/zinc/79/51/04/364795104.db2.gz XUVQLMRIMBVZKF-UHFFFAOYSA-N 2 2 262.357 0.827 20 0 CCADLP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000615302643 364912525 /nfs/dbraw/zinc/91/25/25/364912525.db2.gz MZTNOZPEUMGTEC-JHJVBQTASA-N 2 2 276.384 0.997 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]C[C@H](O)Cc1ccccc1)C1CC1 ZINC000564975322 291329068 /nfs/dbraw/zinc/32/90/68/291329068.db2.gz NNJMUHJYKGJBIV-HZPDHXFCSA-N 2 2 278.396 0.635 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@H](O)Cc1ccccc1)C1CC1 ZINC000564975322 291329071 /nfs/dbraw/zinc/32/90/71/291329071.db2.gz NNJMUHJYKGJBIV-HZPDHXFCSA-N 2 2 278.396 0.635 20 0 CCADLP C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000615271514 364902045 /nfs/dbraw/zinc/90/20/45/364902045.db2.gz XRWXACWEHYFANK-ZIAGYGMSSA-N 2 2 292.383 0.664 20 0 CCADLP C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000615271514 364902051 /nfs/dbraw/zinc/90/20/51/364902051.db2.gz XRWXACWEHYFANK-ZIAGYGMSSA-N 2 2 292.383 0.664 20 0 CCADLP C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000615271514 364902054 /nfs/dbraw/zinc/90/20/54/364902054.db2.gz XRWXACWEHYFANK-ZIAGYGMSSA-N 2 2 292.383 0.664 20 0 CCADLP C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000615271514 364902056 /nfs/dbraw/zinc/90/20/56/364902056.db2.gz XRWXACWEHYFANK-ZIAGYGMSSA-N 2 2 292.383 0.664 20 0 CCADLP C[C@H](CC(=O)NC[C@](C)(O)C[NH+](C)C)n1cc[nH+]c1 ZINC000565076703 291343273 /nfs/dbraw/zinc/34/32/73/291343273.db2.gz LTVXDWBJNXWKLR-YPMHNXCESA-N 2 2 268.361 0.263 20 0 CCADLP C[C@H](CC(=O)NCCc1c[nH+]cn1C)n1cc[nH+]c1 ZINC000565079832 291343385 /nfs/dbraw/zinc/34/33/85/291343385.db2.gz UYDAQRUPFYVXDH-LLVKDONJSA-N 2 2 261.329 0.927 20 0 CCADLP CSC[C@H](O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000275343644 193005289 /nfs/dbraw/zinc/00/52/89/193005289.db2.gz FISOTBXDQAZXCC-LLVKDONJSA-N 2 2 270.402 0.266 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC000335567087 212277472 /nfs/dbraw/zinc/27/74/72/212277472.db2.gz XRMCMBAEDYQSJW-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC000335567087 212277473 /nfs/dbraw/zinc/27/74/73/212277473.db2.gz XRMCMBAEDYQSJW-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000275763567 193123202 /nfs/dbraw/zinc/12/32/02/193123202.db2.gz YDMHSUMTAUOQEA-ZDUSSCGKSA-N 2 2 295.387 0.293 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC[N@H+]1CCCOCC1 ZINC000275763567 193123204 /nfs/dbraw/zinc/12/32/04/193123204.db2.gz YDMHSUMTAUOQEA-ZDUSSCGKSA-N 2 2 295.387 0.293 20 0 CCADLP Cn1cc[nH+]c1[C@H](NC(=O)C[NH+](C)C)C(C)(C)CO ZINC000616868444 365465895 /nfs/dbraw/zinc/46/58/95/365465895.db2.gz NXOKVPUXSIDNAV-NSHDSACASA-N 2 2 268.361 0.158 20 0 CCADLP C[NH+](C)CC[C@](C)(O)CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621960585 366951964 /nfs/dbraw/zinc/95/19/64/366951964.db2.gz ZWEYLDMCDVCPND-AWEZNQCLSA-N 2 2 282.388 0.506 20 0 CCADLP COc1c(N)[nH+]cnc1NCCN1CCC([NH+](C)C)CC1 ZINC000656141016 412749075 /nfs/dbraw/zinc/74/90/75/412749075.db2.gz SJYXPZFAIWRTKV-UHFFFAOYSA-N 2 2 294.403 0.505 20 0 CCADLP C[NH+](C)CCCC(C)(C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000622091322 367019614 /nfs/dbraw/zinc/01/96/14/367019614.db2.gz JHCAHJVEBXEBCA-GFCCVEGCSA-N 2 2 271.405 0.554 20 0 CCADLP C[NH+](C)CCCC(C)(C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000622091322 367019622 /nfs/dbraw/zinc/01/96/22/367019622.db2.gz JHCAHJVEBXEBCA-GFCCVEGCSA-N 2 2 271.405 0.554 20 0 CCADLP CC(C)(C[NH+]1CCOCC1)NC(=O)CCc1[nH]cc[nH+]1 ZINC000622124642 367047632 /nfs/dbraw/zinc/04/76/32/367047632.db2.gz QOQVHFMGCHHTOU-UHFFFAOYSA-N 2 2 280.372 0.569 20 0 CCADLP C[NH+](C)Cc1ccc(C(=O)NCC[NH+]2CCC2)cn1 ZINC000622458217 367170520 /nfs/dbraw/zinc/17/05/20/367170520.db2.gz GHPZPUSFTVQBMV-UHFFFAOYSA-N 2 2 262.357 0.579 20 0 CCADLP C[NH+]1CCC(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000335547916 212251073 /nfs/dbraw/zinc/25/10/73/212251073.db2.gz LATRPTQURGNSJB-CYBMUJFWSA-N 2 2 276.384 0.904 20 0 CCADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2ccc(N)[nH+]c2)C1(C)C ZINC000566237109 291381405 /nfs/dbraw/zinc/38/14/05/291381405.db2.gz KGWNGOIDKJKAJZ-QMTHXVAHSA-N 2 2 278.356 0.965 20 0 CCADLP C[NH2+]CCCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623179169 367467462 /nfs/dbraw/zinc/46/74/62/367467462.db2.gz AFMWVKWWSPRJHF-LLVKDONJSA-N 2 2 250.346 0.513 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623180106 367467879 /nfs/dbraw/zinc/46/78/79/367467879.db2.gz RTHXDEUIDREPJW-GARJFASQSA-N 2 2 250.346 0.688 20 0 CCADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000623178945 367468068 /nfs/dbraw/zinc/46/80/68/367468068.db2.gz OISAGQHKEBMMDA-RWMBFGLXSA-N 2 2 274.368 0.656 20 0 CCADLP O[C@@H](C[NH2+][C@H]1CCCc2cn[nH]c21)C[NH+]1CCCC1 ZINC000623182244 367469306 /nfs/dbraw/zinc/46/93/06/367469306.db2.gz HWZBSOIKMNAICD-STQMWFEESA-N 2 2 264.373 0.833 20 0 CCADLP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623176340 367464576 /nfs/dbraw/zinc/46/45/76/367464576.db2.gz VYCCHDATJKZHKA-BXUZGUMPSA-N 2 2 264.373 0.935 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623304472 367526713 /nfs/dbraw/zinc/52/67/13/367526713.db2.gz ZBLKQUULVIVEHQ-NSHDSACASA-N 2 2 250.346 0.654 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623304472 367526719 /nfs/dbraw/zinc/52/67/19/367526719.db2.gz ZBLKQUULVIVEHQ-NSHDSACASA-N 2 2 250.346 0.654 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)S(C)(=O)=O ZINC000623472326 367568715 /nfs/dbraw/zinc/56/87/15/367568715.db2.gz MFLOWFSTFICARR-GHMZBOCLSA-N 2 2 262.419 0.882 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)S(C)(=O)=O ZINC000623472326 367568720 /nfs/dbraw/zinc/56/87/20/367568720.db2.gz MFLOWFSTFICARR-GHMZBOCLSA-N 2 2 262.419 0.882 20 0 CCADLP CCn1cc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cn1 ZINC000623618527 367605924 /nfs/dbraw/zinc/60/59/24/367605924.db2.gz VGWXWBHGOGKIDG-ZDUSSCGKSA-N 2 2 279.388 0.332 20 0 CCADLP CCn1cc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cn1 ZINC000623618527 367605930 /nfs/dbraw/zinc/60/59/30/367605930.db2.gz VGWXWBHGOGKIDG-ZDUSSCGKSA-N 2 2 279.388 0.332 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H]2CCCC[NH+](C)C2)C1 ZINC000623570911 367593964 /nfs/dbraw/zinc/59/39/64/367593964.db2.gz IDEXJMUZYMLATB-KGLIPLIRSA-N 2 2 298.431 0.348 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)NC[C@H]2CCCC[NH+](C)C2)C1 ZINC000623570911 367593969 /nfs/dbraw/zinc/59/39/69/367593969.db2.gz IDEXJMUZYMLATB-KGLIPLIRSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH+]1CCO[C@@H](CNC(=O)NC[C@H]2CCCC[N@H+](C)C2)C1 ZINC000623570911 367593975 /nfs/dbraw/zinc/59/39/75/367593975.db2.gz IDEXJMUZYMLATB-KGLIPLIRSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH+]1CCO[C@@H](CNC(=O)NC[C@H]2CCCC[N@@H+](C)C2)C1 ZINC000623570911 367593977 /nfs/dbraw/zinc/59/39/77/367593977.db2.gz IDEXJMUZYMLATB-KGLIPLIRSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000566351731 291396647 /nfs/dbraw/zinc/39/66/47/291396647.db2.gz ZOOPKNXOAGLSFX-WFASDCNBSA-N 2 2 280.368 0.729 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000566351731 291396649 /nfs/dbraw/zinc/39/66/49/291396649.db2.gz ZOOPKNXOAGLSFX-WFASDCNBSA-N 2 2 280.368 0.729 20 0 CCADLP C[NH+](C)C1(CNC(=O)NC[C@@H]2COCC[N@@H+]2C)CCC1 ZINC000623916763 367695212 /nfs/dbraw/zinc/69/52/12/367695212.db2.gz ZCLUOOHJIFQKGE-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP C[NH+](C)C1(CNC(=O)NC[C@@H]2COCC[N@H+]2C)CCC1 ZINC000623916763 367695217 /nfs/dbraw/zinc/69/52/17/367695217.db2.gz ZCLUOOHJIFQKGE-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c2nccn21 ZINC000624086722 367749959 /nfs/dbraw/zinc/74/99/59/367749959.db2.gz STJIIOWKPPWTCC-AGIUHOORSA-N 2 2 291.399 0.818 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c2nccn21 ZINC000624086722 367749961 /nfs/dbraw/zinc/74/99/61/367749961.db2.gz STJIIOWKPPWTCC-AGIUHOORSA-N 2 2 291.399 0.818 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)NC[C@@H]1COCC[NH+]1C)C2 ZINC000624164947 367771728 /nfs/dbraw/zinc/77/17/28/367771728.db2.gz QOZUSRCNUQYQSD-WTUNAVPPSA-N 2 2 296.415 0.241 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)NC[C@@H]1COCC[NH+]1C)C2 ZINC000624164947 367771731 /nfs/dbraw/zinc/77/17/31/367771731.db2.gz QOZUSRCNUQYQSD-WTUNAVPPSA-N 2 2 296.415 0.241 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)NC[C@@H]1COCC[N@@H+]1C)C2 ZINC000624164947 367771734 /nfs/dbraw/zinc/77/17/34/367771734.db2.gz QOZUSRCNUQYQSD-WTUNAVPPSA-N 2 2 296.415 0.241 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)NC[C@@H]1COCC[N@H+]1C)C2 ZINC000624164947 367771738 /nfs/dbraw/zinc/77/17/38/367771738.db2.gz QOZUSRCNUQYQSD-WTUNAVPPSA-N 2 2 296.415 0.241 20 0 CCADLP C[N@@H+]1CC[C@](O)(CNc2nc3ccccc3n3c[nH+]cc23)C1 ZINC000624103991 367756374 /nfs/dbraw/zinc/75/63/74/367756374.db2.gz UUDXFZQUFKWOOT-INIZCTEOSA-N 2 2 297.362 0.783 20 0 CCADLP C[N@H+]1CC[C@](O)(CNc2nc3ccccc3n3c[nH+]cc23)C1 ZINC000624103991 367756378 /nfs/dbraw/zinc/75/63/78/367756378.db2.gz UUDXFZQUFKWOOT-INIZCTEOSA-N 2 2 297.362 0.783 20 0 CCADLP C[C@H](CC(=O)N1CCCCCC1)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624333567 367836356 /nfs/dbraw/zinc/83/63/56/367836356.db2.gz RVNPBALVOGLHOQ-CABCVRRESA-N 2 2 297.443 0.824 20 0 CCADLP C[C@H](CC(=O)N1CCCCCC1)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624333567 367836358 /nfs/dbraw/zinc/83/63/58/367836358.db2.gz RVNPBALVOGLHOQ-CABCVRRESA-N 2 2 297.443 0.824 20 0 CCADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)c1cccc(CO)c1 ZINC000624336535 367838087 /nfs/dbraw/zinc/83/80/87/367838087.db2.gz TVMAPKOFJKXEMB-DOMZBBRYSA-N 2 2 264.369 0.896 20 0 CCADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)c1cccc(CO)c1 ZINC000624336535 367838088 /nfs/dbraw/zinc/83/80/88/367838088.db2.gz TVMAPKOFJKXEMB-DOMZBBRYSA-N 2 2 264.369 0.896 20 0 CCADLP Cc1nc(NC[C@H]2CCCC[N@H+](C)C2)nc(N(C)C)[nH+]1 ZINC000624536440 367916641 /nfs/dbraw/zinc/91/66/41/367916641.db2.gz PUWYVOFTHAUXNC-GFCCVEGCSA-N 2 2 278.404 0.812 20 0 CCADLP Cc1nc(NC[C@H]2CCCC[N@@H+](C)C2)nc(N(C)C)[nH+]1 ZINC000624536440 367916643 /nfs/dbraw/zinc/91/66/43/367916643.db2.gz PUWYVOFTHAUXNC-GFCCVEGCSA-N 2 2 278.404 0.812 20 0 CCADLP Cc1nc(N(C)C)nc(NC[C@H]2CCCC[N@H+](C)C2)[nH+]1 ZINC000624536440 367916649 /nfs/dbraw/zinc/91/66/49/367916649.db2.gz PUWYVOFTHAUXNC-GFCCVEGCSA-N 2 2 278.404 0.812 20 0 CCADLP Cc1nc(N(C)C)nc(NC[C@H]2CCCC[N@@H+](C)C2)[nH+]1 ZINC000624536440 367916654 /nfs/dbraw/zinc/91/66/54/367916654.db2.gz PUWYVOFTHAUXNC-GFCCVEGCSA-N 2 2 278.404 0.812 20 0 CCADLP O[C@H]1CC[N@H+](CCNc2cc(N3CCCC3)[nH+]cn2)C1 ZINC000624775061 367990023 /nfs/dbraw/zinc/99/00/23/367990023.db2.gz WEZPSLQFFVNIEC-LBPRGKRZSA-N 2 2 277.372 0.555 20 0 CCADLP O[C@H]1CC[N@@H+](CCNc2cc(N3CCCC3)[nH+]cn2)C1 ZINC000624775061 367990030 /nfs/dbraw/zinc/99/00/30/367990030.db2.gz WEZPSLQFFVNIEC-LBPRGKRZSA-N 2 2 277.372 0.555 20 0 CCADLP O[C@H]1CC[N@H+](CCNc2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000624774953 367991045 /nfs/dbraw/zinc/99/10/45/367991045.db2.gz UIIVQTNOKGKWKV-ZDUSSCGKSA-N 2 2 291.399 0.945 20 0 CCADLP O[C@H]1CC[N@@H+](CCNc2cc(N3CCCCC3)[nH+]cn2)C1 ZINC000624774953 367991049 /nfs/dbraw/zinc/99/10/49/367991049.db2.gz UIIVQTNOKGKWKV-ZDUSSCGKSA-N 2 2 291.399 0.945 20 0 CCADLP COc1cncc(C[N@H+](C)CCCN2CC[NH+](C)CC2)n1 ZINC000625273630 368126526 /nfs/dbraw/zinc/12/65/26/368126526.db2.gz DVBHIFAJEWJVER-UHFFFAOYSA-N 2 2 293.415 0.555 20 0 CCADLP COc1cncc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)n1 ZINC000625273630 368126528 /nfs/dbraw/zinc/12/65/28/368126528.db2.gz DVBHIFAJEWJVER-UHFFFAOYSA-N 2 2 293.415 0.555 20 0 CCADLP Cn1cc(CC[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)nn1 ZINC000625191415 368095707 /nfs/dbraw/zinc/09/57/07/368095707.db2.gz ZXXUWJROIIQETL-ZDUSSCGKSA-N 2 2 279.388 0.012 20 0 CCADLP Cn1cc(CC[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)nn1 ZINC000625191415 368095711 /nfs/dbraw/zinc/09/57/11/368095711.db2.gz ZXXUWJROIIQETL-ZDUSSCGKSA-N 2 2 279.388 0.012 20 0 CCADLP Cc1[nH]c(CNC[C@@H](O)C[NH+]2CCCC2)[nH+]c1C ZINC000566631839 291428935 /nfs/dbraw/zinc/42/89/35/291428935.db2.gz YYZDWJFGEABHIQ-GFCCVEGCSA-N 2 2 252.362 0.573 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000626468781 368555964 /nfs/dbraw/zinc/55/59/64/368555964.db2.gz WLYSRXNQDCDKGI-LLVKDONJSA-N 2 2 264.329 0.000 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000626468781 368555970 /nfs/dbraw/zinc/55/59/70/368555970.db2.gz WLYSRXNQDCDKGI-LLVKDONJSA-N 2 2 264.329 0.000 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC1(C[NH3+])CCOCC1 ZINC000626940441 368690787 /nfs/dbraw/zinc/69/07/87/368690787.db2.gz ZAECFFJRDFDNRR-NSHDSACASA-N 2 2 281.360 0.079 20 0 CCADLP C[C@H]1CC[C@@H](NC(=O)NCc2[nH+]ccn2C)C[NH2+]1 ZINC000626969515 368702446 /nfs/dbraw/zinc/70/24/46/368702446.db2.gz XNEDGAQQBCFPKM-VHSXEESVSA-N 2 2 251.334 0.360 20 0 CCADLP C[NH2+]CCOCCNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000626923912 368681582 /nfs/dbraw/zinc/68/15/82/368681582.db2.gz ZCAHHSBBDRIQKB-UHFFFAOYSA-N 2 2 291.355 0.370 20 0 CCADLP C[NH+](C)CCCS(=O)(=O)NCCCCn1cc[nH+]c1 ZINC000632180791 370909418 /nfs/dbraw/zinc/90/94/18/370909418.db2.gz LYZBPQTYMVSHFL-UHFFFAOYSA-N 2 2 288.417 0.534 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCc1cn(C)c[nH+]1 ZINC000627056954 368760535 /nfs/dbraw/zinc/76/05/35/368760535.db2.gz FUBGZHDPMOTSTR-GXSJLCMTSA-N 2 2 251.334 0.012 20 0 CCADLP C[C@@H](NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)c1[nH+]ccn1C ZINC000627116899 368809425 /nfs/dbraw/zinc/80/94/25/368809425.db2.gz AXTHXCCSFHCANN-GMTAPVOTSA-N 2 2 265.361 0.921 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627201932 368870658 /nfs/dbraw/zinc/87/06/58/368870658.db2.gz DRDUCIZSMHWRTA-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)NCCOCCC[NH3+])CC2 ZINC000627216966 368888250 /nfs/dbraw/zinc/88/82/50/368888250.db2.gz ZUMJMBJSYYMVIR-UHFFFAOYSA-N 2 2 281.360 0.082 20 0 CCADLP CC[C@@H]1CN(C(=O)NC[C@H]2COCC[N@@H+]2C)CC[C@@H]1[NH3+] ZINC000627183556 368851433 /nfs/dbraw/zinc/85/14/33/368851433.db2.gz MFHCVYJNBZFOKV-AGIUHOORSA-N 2 2 284.404 0.086 20 0 CCADLP CC[C@@H]1CN(C(=O)NC[C@H]2COCC[N@H+]2C)CC[C@@H]1[NH3+] ZINC000627183556 368851434 /nfs/dbraw/zinc/85/14/34/368851434.db2.gz MFHCVYJNBZFOKV-AGIUHOORSA-N 2 2 284.404 0.086 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)C3([NH+]4CCOCC4)CCC3)C[C@H]21 ZINC000627653560 369065967 /nfs/dbraw/zinc/06/59/67/369065967.db2.gz RXTBXQPOWXFBPH-WDNDVIMCSA-N 2 2 293.411 0.260 20 0 CCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[NH+](CCCF)CC1 ZINC000627956850 369146354 /nfs/dbraw/zinc/14/63/54/369146354.db2.gz AAYHMBUUVWKTHV-ZDUSSCGKSA-N 2 2 294.374 0.949 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](COC(F)F)C1 ZINC000574288073 335007405 /nfs/dbraw/zinc/00/74/05/335007405.db2.gz KHNJRODCCHCKTB-WDEREUQCSA-N 2 2 266.332 0.860 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](COC(F)F)C1 ZINC000574288073 335007406 /nfs/dbraw/zinc/00/74/06/335007406.db2.gz KHNJRODCCHCKTB-WDEREUQCSA-N 2 2 266.332 0.860 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000574288073 335007407 /nfs/dbraw/zinc/00/74/07/335007407.db2.gz KHNJRODCCHCKTB-WDEREUQCSA-N 2 2 266.332 0.860 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](COC(F)F)C1 ZINC000574288073 335007408 /nfs/dbraw/zinc/00/74/08/335007408.db2.gz KHNJRODCCHCKTB-WDEREUQCSA-N 2 2 266.332 0.860 20 0 CCADLP OC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000656262083 412775701 /nfs/dbraw/zinc/77/57/01/412775701.db2.gz HWQHPSXDLAWLBP-QEJZJMRPSA-N 2 2 268.401 0.990 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000574292126 335007894 /nfs/dbraw/zinc/00/78/94/335007894.db2.gz JCYPEIZLIJFQMD-ZDUSSCGKSA-N 2 2 294.424 0.937 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC000330689076 203119652 /nfs/dbraw/zinc/11/96/52/203119652.db2.gz XOUOXBMGZNPXEQ-UHFFFAOYSA-N 2 2 250.346 0.872 20 0 CCADLP CC[C@H](O)C[NH+]1CCN(Cc2[nH]cc(C)[nH+]2)CC1 ZINC000628168726 369198046 /nfs/dbraw/zinc/19/80/46/369198046.db2.gz FZZMFBCNIAZXTL-LBPRGKRZSA-N 2 2 252.362 0.607 20 0 CCADLP CC[C@H](C)[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000168941540 335012441 /nfs/dbraw/zinc/01/24/41/335012441.db2.gz VMZZZIOCMXESAH-AWEZNQCLSA-N 2 2 257.422 0.765 20 0 CCADLP Cc1[nH]c(CN2CN(CC[NH+](C)C)C(=O)[C@@H]2C)[nH+]c1C ZINC000628322321 369241347 /nfs/dbraw/zinc/24/13/47/369241347.db2.gz OGPJXNMOPHFTDQ-LBPRGKRZSA-N 2 2 279.388 0.578 20 0 CCADLP Cc1[nH]c(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)[nH+]c1C ZINC000628327885 369242755 /nfs/dbraw/zinc/24/27/55/369242755.db2.gz UUYVNASYKMZIKX-NWDGAFQWSA-N 2 2 250.346 0.277 20 0 CCADLP Cc1[nH]c(CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)[nH+]c1C ZINC000628327885 369242757 /nfs/dbraw/zinc/24/27/57/369242757.db2.gz UUYVNASYKMZIKX-NWDGAFQWSA-N 2 2 250.346 0.277 20 0 CCADLP CC(C)COC[C@H](O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000567212051 291466530 /nfs/dbraw/zinc/46/65/30/291466530.db2.gz ASGOQKHFMGKTBR-CYBMUJFWSA-N 2 2 282.388 0.565 20 0 CCADLP Cc1cc(NCCNC(=O)[C@H](C)[NH+](C)C)nc(C(C)C)[nH+]1 ZINC000628825931 369409815 /nfs/dbraw/zinc/40/98/15/369409815.db2.gz FEQSNKHELYQLKX-LBPRGKRZSA-N 2 2 293.415 0.809 20 0 CCADLP C[C@H](CC(=O)NC[C@H]1COCC[N@@H+]1C)n1cc[nH+]c1 ZINC000628913749 369449070 /nfs/dbraw/zinc/44/90/70/369449070.db2.gz WALKOWXBBRJVKE-NEPJUHHUSA-N 2 2 266.345 0.281 20 0 CCADLP C[C@H](CC(=O)NC[C@H]1COCC[N@H+]1C)n1cc[nH+]c1 ZINC000628913749 369449076 /nfs/dbraw/zinc/44/90/76/369449076.db2.gz WALKOWXBBRJVKE-NEPJUHHUSA-N 2 2 266.345 0.281 20 0 CCADLP C[C@H](CC(=O)NC[C@@H]1COCC[N@@H+]1C)n1cc[nH+]c1 ZINC000628913753 369449301 /nfs/dbraw/zinc/44/93/01/369449301.db2.gz WALKOWXBBRJVKE-VXGBXAGGSA-N 2 2 266.345 0.281 20 0 CCADLP C[C@H](CC(=O)NC[C@@H]1COCC[N@H+]1C)n1cc[nH+]c1 ZINC000628913753 369449305 /nfs/dbraw/zinc/44/93/05/369449305.db2.gz WALKOWXBBRJVKE-VXGBXAGGSA-N 2 2 266.345 0.281 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N=c1ccn(CC[NH+](C)C)[nH]1 ZINC000330893203 203360093 /nfs/dbraw/zinc/36/00/93/203360093.db2.gz LAPHZYSAYNOLBA-BETUJISGSA-N 2 2 293.415 0.678 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N=c1ccn(CC[NH+](C)C)[nH]1 ZINC000330893203 203360096 /nfs/dbraw/zinc/36/00/96/203360096.db2.gz LAPHZYSAYNOLBA-BETUJISGSA-N 2 2 293.415 0.678 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1[nH+]ccn1C ZINC000330899727 203368724 /nfs/dbraw/zinc/36/87/24/203368724.db2.gz QAKLUUZLCWLUHB-GHMZBOCLSA-N 2 2 250.346 0.909 20 0 CCADLP OCc1cn([C@@H]2CCCC[C@@H]2[NH2+]CCn2cc[nH+]c2)nn1 ZINC000276317933 193285039 /nfs/dbraw/zinc/28/50/39/193285039.db2.gz NWPZSWRJUCBSRY-UONOGXRCSA-N 2 2 290.371 0.740 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629561870 369710493 /nfs/dbraw/zinc/71/04/93/369710493.db2.gz KDELKNQXJCLINC-KXUCPTDWSA-N 2 2 281.322 0.922 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629561870 369710496 /nfs/dbraw/zinc/71/04/96/369710496.db2.gz KDELKNQXJCLINC-KXUCPTDWSA-N 2 2 281.322 0.922 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+]CC2([NH3+])CCOCC2)[C@@H](C)C1 ZINC000629522426 369690914 /nfs/dbraw/zinc/69/09/14/369690914.db2.gz ZUCWVJQZCROMBT-STQMWFEESA-N 3 2 255.406 0.814 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+]CC2([NH3+])CCOCC2)[C@@H](C)C1 ZINC000629522426 369690916 /nfs/dbraw/zinc/69/09/16/369690916.db2.gz ZUCWVJQZCROMBT-STQMWFEESA-N 3 2 255.406 0.814 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH2+]CC2([NH3+])CCOCC2)[C@H](C)C1 ZINC000629522423 369690949 /nfs/dbraw/zinc/69/09/49/369690949.db2.gz ZUCWVJQZCROMBT-CHWSQXEVSA-N 3 2 255.406 0.814 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH2+]CC2([NH3+])CCOCC2)[C@H](C)C1 ZINC000629522423 369690951 /nfs/dbraw/zinc/69/09/51/369690951.db2.gz ZUCWVJQZCROMBT-CHWSQXEVSA-N 3 2 255.406 0.814 20 0 CCADLP CN(C)S(=O)(=O)CC[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000629535392 369694775 /nfs/dbraw/zinc/69/47/75/369694775.db2.gz GDFWZZPJCKXNIG-GFCCVEGCSA-N 2 2 277.434 0.375 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccc(-n2cnnn2)c1 ZINC000629544872 369698932 /nfs/dbraw/zinc/69/89/32/369698932.db2.gz DYUKIFWYWDIXAO-ZYHUDNBSSA-N 2 2 258.329 0.675 20 0 CCADLP CO[C@H]1C[C@@H](C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000629553604 369703202 /nfs/dbraw/zinc/70/32/02/369703202.db2.gz AXNBPTQCQIZEAK-CABNGKKXSA-N 2 2 254.374 0.768 20 0 CCADLP O=C(C[NH2+]C[C@@H](O)C[NH+]1CCCC1)Nc1ccccc1 ZINC000629557137 369706539 /nfs/dbraw/zinc/70/65/39/369706539.db2.gz VCYJHVWITMRSMS-CQSZACIVSA-N 2 2 277.368 0.671 20 0 CCADLP c1nnc2ccc(N3CC[C@H]([NH2+][C@H]4CCC[NH2+]C4)C3)nn12 ZINC000629655644 369748909 /nfs/dbraw/zinc/74/89/09/369748909.db2.gz WZMRLRQRKKKHLZ-RYUDHWBXSA-N 2 2 287.371 0.045 20 0 CCADLP Cn1nc(C2CC2)nc1C[N@H+](C)CCOCC[NH3+] ZINC000629581014 369725067 /nfs/dbraw/zinc/72/50/67/369725067.db2.gz KAEPHQQSCBJIIV-UHFFFAOYSA-N 2 2 253.350 0.100 20 0 CCADLP Cn1nc(C2CC2)nc1C[N@@H+](C)CCOCC[NH3+] ZINC000629581014 369725071 /nfs/dbraw/zinc/72/50/71/369725071.db2.gz KAEPHQQSCBJIIV-UHFFFAOYSA-N 2 2 253.350 0.100 20 0 CCADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@@H](O)C(F)(F)F ZINC000629583274 369726747 /nfs/dbraw/zinc/72/67/47/369726747.db2.gz XNTQUFYFXRUGHU-IVZWLZJFSA-N 2 2 270.295 0.344 20 0 CCADLP COCCOC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000629600921 369735053 /nfs/dbraw/zinc/73/50/53/369735053.db2.gz BWEWUELUPPGQHQ-LSDHHAIUSA-N 2 2 286.416 0.617 20 0 CCADLP COCCOC[C@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000629600921 369735059 /nfs/dbraw/zinc/73/50/59/369735059.db2.gz BWEWUELUPPGQHQ-LSDHHAIUSA-N 2 2 286.416 0.617 20 0 CCADLP CCN(Cc1ccoc1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000629599695 369735487 /nfs/dbraw/zinc/73/54/87/369735487.db2.gz KIDSBVPQSPGWRM-LBPRGKRZSA-N 2 2 253.346 0.907 20 0 CCADLP O=C(Cc1cn2ccccc2[nH+]1)NCC[N@H+]1CC[C@H](O)C1 ZINC000629911680 369816894 /nfs/dbraw/zinc/81/68/94/369816894.db2.gz QXOSQPPROZCVBV-ZDUSSCGKSA-N 2 2 288.351 0.060 20 0 CCADLP O=C(Cc1cn2ccccc2[nH+]1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629911680 369816901 /nfs/dbraw/zinc/81/69/01/369816901.db2.gz QXOSQPPROZCVBV-ZDUSSCGKSA-N 2 2 288.351 0.060 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2COCC[NH+]2C)CC[N@@H+]1C ZINC000630087168 369945375 /nfs/dbraw/zinc/94/53/75/369945375.db2.gz BNZJGSVAAWZBAC-FRRDWIJNSA-N 2 2 269.389 0.164 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2COCC[NH+]2C)CC[N@H+]1C ZINC000630087168 369945380 /nfs/dbraw/zinc/94/53/80/369945380.db2.gz BNZJGSVAAWZBAC-FRRDWIJNSA-N 2 2 269.389 0.164 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2COCC[N@@H+]2C)CC[NH+]1C ZINC000630087168 369945386 /nfs/dbraw/zinc/94/53/86/369945386.db2.gz BNZJGSVAAWZBAC-FRRDWIJNSA-N 2 2 269.389 0.164 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2COCC[N@H+]2C)CC[NH+]1C ZINC000630087168 369945390 /nfs/dbraw/zinc/94/53/90/369945390.db2.gz BNZJGSVAAWZBAC-FRRDWIJNSA-N 2 2 269.389 0.164 20 0 CCADLP CO[C@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)[C@](C)(C[NH3+])C1 ZINC000630371578 370072964 /nfs/dbraw/zinc/07/29/64/370072964.db2.gz ACXTYQCRMXYQBJ-DOMZBBRYSA-N 2 2 288.351 0.913 20 0 CCADLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262915979 284193913 /nfs/dbraw/zinc/19/39/13/284193913.db2.gz GILQTDSVCPVBBV-WCBMZHEXSA-N 2 2 259.300 0.337 20 0 CCADLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262915979 284193915 /nfs/dbraw/zinc/19/39/15/284193915.db2.gz GILQTDSVCPVBBV-WCBMZHEXSA-N 2 2 259.300 0.337 20 0 CCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188976134 284199320 /nfs/dbraw/zinc/19/93/20/284199320.db2.gz CEFJRPPIVXJJOV-SDDRHHMPSA-N 2 2 278.331 0.477 20 0 CCADLP OC[C@@H]1CCCCN1c1cc(N2C[C@@H]3C[C@H]2C[NH2+]3)nc[nH+]1 ZINC000630555369 370168135 /nfs/dbraw/zinc/16/81/35/370168135.db2.gz JULLTNMNZJYVKX-AVGNSLFASA-N 2 2 289.383 0.378 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCO[C@H](C)C2)CC[N@@H+]1C ZINC000630878936 370303666 /nfs/dbraw/zinc/30/36/66/370303666.db2.gz FDJKZTJOMFCKQT-HZSPNIEDSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCO[C@H](C)C2)CC[N@H+]1C ZINC000630878936 370303672 /nfs/dbraw/zinc/30/36/72/370303672.db2.gz FDJKZTJOMFCKQT-HZSPNIEDSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC[NH+]1C ZINC000630878936 370303675 /nfs/dbraw/zinc/30/36/75/370303675.db2.gz FDJKZTJOMFCKQT-HZSPNIEDSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[N@H+]2CCO[C@H](C)C2)CC[NH+]1C ZINC000630878936 370303681 /nfs/dbraw/zinc/30/36/81/370303681.db2.gz FDJKZTJOMFCKQT-HZSPNIEDSA-N 2 2 283.416 0.554 20 0 CCADLP [NH3+][C@@H]1CCCCCN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000631001270 370356122 /nfs/dbraw/zinc/35/61/22/370356122.db2.gz NGRWVVXDDRYELN-CYBMUJFWSA-N 2 2 284.404 0.232 20 0 CCADLP Cc1nc(N2CC[C@H](C[NH+]3CCCC3)C2)nc(N)[nH+]1 ZINC000631126909 370392828 /nfs/dbraw/zinc/39/28/28/370392828.db2.gz PDXHDXOHOPKDME-LLVKDONJSA-N 2 2 262.361 0.515 20 0 CCADLP Cc1nc(N)nc(N2CC[C@H](C[NH+]3CCCC3)C2)[nH+]1 ZINC000631126909 370392832 /nfs/dbraw/zinc/39/28/32/370392832.db2.gz PDXHDXOHOPKDME-LLVKDONJSA-N 2 2 262.361 0.515 20 0 CCADLP Cc1nc(NCC[N@H+]2[C@H](C)CCC[C@@H]2C)nc(N)[nH+]1 ZINC000631110049 370387312 /nfs/dbraw/zinc/38/73/12/370387312.db2.gz GOFCCAIFTXRORF-AOOOYVTPSA-N 2 2 264.377 0.689 20 0 CCADLP Cc1nc(NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)nc(N)[nH+]1 ZINC000631110049 370387315 /nfs/dbraw/zinc/38/73/15/370387315.db2.gz GOFCCAIFTXRORF-AOOOYVTPSA-N 2 2 264.377 0.689 20 0 CCADLP Cc1nc(N2CC[NH+](CCOC(C)C)CC2)nc(N)[nH+]1 ZINC000631138817 370396940 /nfs/dbraw/zinc/39/69/40/370396940.db2.gz JUZPSTHYZQZNMX-UHFFFAOYSA-N 2 2 280.376 0.140 20 0 CCADLP Cc1nc(NC[C@H]2CCC[N@H+](CC3CC3)C2)nc(N)[nH+]1 ZINC000631386307 370509087 /nfs/dbraw/zinc/50/90/87/370509087.db2.gz VFCVPPQDFMXHRB-GFCCVEGCSA-N 2 2 276.388 0.548 20 0 CCADLP Cc1nc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)nc(N)[nH+]1 ZINC000631386307 370509089 /nfs/dbraw/zinc/50/90/89/370509089.db2.gz VFCVPPQDFMXHRB-GFCCVEGCSA-N 2 2 276.388 0.548 20 0 CCADLP Cc1nc(N)nc(NC[C@H]2CCC[N@H+](CC3CC3)C2)[nH+]1 ZINC000631386307 370509092 /nfs/dbraw/zinc/50/90/92/370509092.db2.gz VFCVPPQDFMXHRB-GFCCVEGCSA-N 2 2 276.388 0.548 20 0 CCADLP Cc1nc(N)nc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)[nH+]1 ZINC000631386307 370509096 /nfs/dbraw/zinc/50/90/96/370509096.db2.gz VFCVPPQDFMXHRB-GFCCVEGCSA-N 2 2 276.388 0.548 20 0 CCADLP Cc1nc(NC[C@@H]2CC[N@@H+]2C2CCCCC2)nc(N)[nH+]1 ZINC000631392829 370514046 /nfs/dbraw/zinc/51/40/46/370514046.db2.gz JFPIZVGCMPPWEQ-LBPRGKRZSA-N 2 2 276.388 0.833 20 0 CCADLP Cc1nc(NC[C@@H]2CC[N@H+]2C2CCCCC2)nc(N)[nH+]1 ZINC000631392829 370514049 /nfs/dbraw/zinc/51/40/49/370514049.db2.gz JFPIZVGCMPPWEQ-LBPRGKRZSA-N 2 2 276.388 0.833 20 0 CCADLP Cc1nc(N2CCC[C@@](O)(C[NH+](C)C)C2)nc(N(C)C)[nH+]1 ZINC000631344437 370483852 /nfs/dbraw/zinc/48/38/52/370483852.db2.gz PUOOGOGITLYENC-CQSZACIVSA-N 2 2 294.403 0.139 20 0 CCADLP Cc1nc(N(C)C)nc(N2CCC[C@@](O)(C[NH+](C)C)C2)[nH+]1 ZINC000631344437 370483859 /nfs/dbraw/zinc/48/38/59/370483859.db2.gz PUOOGOGITLYENC-CQSZACIVSA-N 2 2 294.403 0.139 20 0 CCADLP C[C@@H]1C[C@H](NS(=O)(=O)CC2([NH+](C)C)CC2)c2[nH+]ccn21 ZINC000632417161 371049929 /nfs/dbraw/zinc/04/99/29/371049929.db2.gz PXYVLYACBKAMPF-MNOVXSKESA-N 2 2 298.412 0.903 20 0 CCADLP C[C@H]1C[C@@H](NS(=O)(=O)CCC[NH+](C)C)c2[nH+]ccn21 ZINC000632417860 371050277 /nfs/dbraw/zinc/05/02/77/371050277.db2.gz PDIHWAWHAFTQEU-WDEREUQCSA-N 2 2 286.401 0.760 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632755726 371245680 /nfs/dbraw/zinc/24/56/80/371245680.db2.gz DZXQEDGUTVRIMV-UHFFFAOYSA-N 2 2 272.374 0.266 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000632984799 371348173 /nfs/dbraw/zinc/34/81/73/371348173.db2.gz BWFBLFSSAPYHME-NSHDSACASA-N 2 2 265.361 0.844 20 0 CCADLP C[C@H](NC(=O)N(C)Cc1[nH]cc[nH+]1)[C@H]1C[N@H+](C)CCO1 ZINC000633128747 371408061 /nfs/dbraw/zinc/40/80/61/371408061.db2.gz GFQRUJSZOKDUPA-WDEREUQCSA-N 2 2 281.360 0.270 20 0 CCADLP C[C@H](NC(=O)N(C)Cc1[nH]cc[nH+]1)[C@H]1C[N@@H+](C)CCO1 ZINC000633128747 371408063 /nfs/dbraw/zinc/40/80/63/371408063.db2.gz GFQRUJSZOKDUPA-WDEREUQCSA-N 2 2 281.360 0.270 20 0 CCADLP CC[C@]1(O)CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000640036712 376206304 /nfs/dbraw/zinc/20/63/04/376206304.db2.gz WLXKGOUOGLQLBH-KBPBESRZSA-N 2 2 256.390 0.678 20 0 CCADLP CC[C@]1(O)CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000640036712 376206308 /nfs/dbraw/zinc/20/63/08/376206308.db2.gz WLXKGOUOGLQLBH-KBPBESRZSA-N 2 2 256.390 0.678 20 0 CCADLP CC[C@]1(O)CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000640036712 376206315 /nfs/dbraw/zinc/20/63/15/376206315.db2.gz WLXKGOUOGLQLBH-KBPBESRZSA-N 2 2 256.390 0.678 20 0 CCADLP CC[C@]1(O)CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000640036712 376206318 /nfs/dbraw/zinc/20/63/18/376206318.db2.gz WLXKGOUOGLQLBH-KBPBESRZSA-N 2 2 256.390 0.678 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)CC[N@@H+]1C ZINC000633304994 371478299 /nfs/dbraw/zinc/47/82/99/371478299.db2.gz ZYZKDVHGJZSTJM-WCFLWFBJSA-N 2 2 262.357 0.654 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)CC[N@H+]1C ZINC000633304994 371478300 /nfs/dbraw/zinc/47/83/00/371478300.db2.gz ZYZKDVHGJZSTJM-WCFLWFBJSA-N 2 2 262.357 0.654 20 0 CCADLP CO[C@H]1CN(c2nc[nH+]c3c2OCCN3)[C@@](C)(C[NH3+])C1 ZINC000634240541 371964618 /nfs/dbraw/zinc/96/46/18/371964618.db2.gz ZUNGHGRLMUWYCB-NOZJJQNGSA-N 2 2 279.344 0.223 20 0 CCADLP C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)O1 ZINC000634688407 372133187 /nfs/dbraw/zinc/13/31/87/372133187.db2.gz RJIHQBMMOWTBIV-RDBSUJKOSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@@H]1CC[C@@H](C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)O1 ZINC000634688407 372133191 /nfs/dbraw/zinc/13/31/91/372133191.db2.gz RJIHQBMMOWTBIV-RDBSUJKOSA-N 2 2 281.400 0.450 20 0 CCADLP C[N@@H+]1CCC[C@H]([NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)C1 ZINC000634703689 372148625 /nfs/dbraw/zinc/14/86/25/372148625.db2.gz ZVTCMHRLHBPOIQ-MELADBBJSA-N 2 2 256.390 0.582 20 0 CCADLP C[N@H+]1CCC[C@H]([NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)C1 ZINC000634703689 372148630 /nfs/dbraw/zinc/14/86/30/372148630.db2.gz ZVTCMHRLHBPOIQ-MELADBBJSA-N 2 2 256.390 0.582 20 0 CCADLP C[N@@H+]1CCC[C@H]([NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)C1 ZINC000634703687 372148810 /nfs/dbraw/zinc/14/88/10/372148810.db2.gz ZVTCMHRLHBPOIQ-BFHYXJOUSA-N 2 2 256.390 0.582 20 0 CCADLP C[N@H+]1CCC[C@H]([NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)C1 ZINC000634703687 372148815 /nfs/dbraw/zinc/14/88/15/372148815.db2.gz ZVTCMHRLHBPOIQ-BFHYXJOUSA-N 2 2 256.390 0.582 20 0 CCADLP CN(C)c1ncc(C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cn1 ZINC000634733382 372178505 /nfs/dbraw/zinc/17/85/05/372178505.db2.gz DOVNEAOVFSMTOL-OCCSQVGLSA-N 2 2 261.373 0.774 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCO[C@@H](C(F)F)CC1)C1CC1 ZINC000634758287 372205471 /nfs/dbraw/zinc/20/54/71/372205471.db2.gz MFOAFBGVDRXZJG-NWDGAFQWSA-N 2 2 278.343 0.798 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCO[C@@H](C(F)F)CC1)C1CC1 ZINC000634758287 372205476 /nfs/dbraw/zinc/20/54/76/372205476.db2.gz MFOAFBGVDRXZJG-NWDGAFQWSA-N 2 2 278.343 0.798 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCO[C@@H](C(F)F)CC1)C1CC1 ZINC000634758287 372205482 /nfs/dbraw/zinc/20/54/82/372205482.db2.gz MFOAFBGVDRXZJG-NWDGAFQWSA-N 2 2 278.343 0.798 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCO[C@@H](C(F)F)CC1)C1CC1 ZINC000634758287 372205485 /nfs/dbraw/zinc/20/54/85/372205485.db2.gz MFOAFBGVDRXZJG-NWDGAFQWSA-N 2 2 278.343 0.798 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCO[C@H](C(F)F)CC1)C1CC1 ZINC000634758288 372205747 /nfs/dbraw/zinc/20/57/47/372205747.db2.gz MFOAFBGVDRXZJG-RYUDHWBXSA-N 2 2 278.343 0.798 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCO[C@H](C(F)F)CC1)C1CC1 ZINC000634758288 372205753 /nfs/dbraw/zinc/20/57/53/372205753.db2.gz MFOAFBGVDRXZJG-RYUDHWBXSA-N 2 2 278.343 0.798 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCO[C@H](C(F)F)CC1)C1CC1 ZINC000634758288 372205756 /nfs/dbraw/zinc/20/57/56/372205756.db2.gz MFOAFBGVDRXZJG-RYUDHWBXSA-N 2 2 278.343 0.798 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCO[C@H](C(F)F)CC1)C1CC1 ZINC000634758288 372205762 /nfs/dbraw/zinc/20/57/62/372205762.db2.gz MFOAFBGVDRXZJG-RYUDHWBXSA-N 2 2 278.343 0.798 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCO[C@H](C(F)F)CC1 ZINC000634758649 372206106 /nfs/dbraw/zinc/20/61/06/372206106.db2.gz SLKPSEZGGRKRIH-MNOVXSKESA-N 2 2 266.332 0.655 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCO[C@H](C(F)F)CC1 ZINC000634758649 372206115 /nfs/dbraw/zinc/20/61/15/372206115.db2.gz SLKPSEZGGRKRIH-MNOVXSKESA-N 2 2 266.332 0.655 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000634758649 372206119 /nfs/dbraw/zinc/20/61/19/372206119.db2.gz SLKPSEZGGRKRIH-MNOVXSKESA-N 2 2 266.332 0.655 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000634758649 372206127 /nfs/dbraw/zinc/20/61/27/372206127.db2.gz SLKPSEZGGRKRIH-MNOVXSKESA-N 2 2 266.332 0.655 20 0 CCADLP C[C@@H](O)[C@@H]1CCN(c2cc(N3CCC[NH2+]CC3)nc[nH+]2)C1 ZINC000634807208 372245686 /nfs/dbraw/zinc/24/56/86/372245686.db2.gz BWHDMDYHBWWIFH-CHWSQXEVSA-N 2 2 291.399 0.483 20 0 CCADLP c1cn(-c2cc(N3CC[C@@H]4CC[NH2+][C@H]4C3)ncn2)c[nH+]1 ZINC000634807763 372247998 /nfs/dbraw/zinc/24/79/98/372247998.db2.gz ABYQYLJYTGKARJ-RYUDHWBXSA-N 2 2 270.340 0.851 20 0 CCADLP C[C@@H](O)CNc1cc(N2CCC[NH2+]CC2)nc[nH+]1 ZINC000634807307 372248161 /nfs/dbraw/zinc/24/81/61/372248161.db2.gz GIQPBNORNZYYLE-SNVBAGLBSA-N 2 2 251.334 0.069 20 0 CCADLP CC1(O)CCN(c2cc(N[C@@H]3CC[NH2+]C3)nc[nH+]2)CC1 ZINC000634809405 372251310 /nfs/dbraw/zinc/25/13/10/372251310.db2.gz RHYKRKCJOORALN-LLVKDONJSA-N 2 2 277.372 0.602 20 0 CCADLP OC[C@@H]1CCCN(c2cc(N[C@@H]3[C@H]4C[NH2+]C[C@H]43)[nH+]cn2)C1 ZINC000634810045 372253748 /nfs/dbraw/zinc/25/37/48/372253748.db2.gz KSUQCFINXVLVLK-FJJYHAOUSA-N 2 2 289.383 0.315 20 0 CCADLP OC[C@@H]1CCCN(c2cc(N[C@@H]3[C@H]4C[NH2+]C[C@H]43)nc[nH+]2)C1 ZINC000634810045 372253754 /nfs/dbraw/zinc/25/37/54/372253754.db2.gz KSUQCFINXVLVLK-FJJYHAOUSA-N 2 2 289.383 0.315 20 0 CCADLP C[C@H](C(=O)NCc1ccc(N(C)C)[nH+]c1)[NH+](C)C ZINC000635258125 372436169 /nfs/dbraw/zinc/43/61/69/372436169.db2.gz PXVGJJTWPPBRED-SNVBAGLBSA-N 2 2 250.346 0.714 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635480120 372545494 /nfs/dbraw/zinc/54/54/94/372545494.db2.gz XFLACJPEDPCKFZ-ZDUSSCGKSA-N 2 2 269.389 0.119 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635480120 372545504 /nfs/dbraw/zinc/54/55/04/372545504.db2.gz XFLACJPEDPCKFZ-ZDUSSCGKSA-N 2 2 269.389 0.119 20 0 CCADLP CCc1c[nH]c(CC(=O)NCc2c[nH+]c(N(C)C)n2C)[nH+]1 ZINC000635557913 372627172 /nfs/dbraw/zinc/62/71/72/372627172.db2.gz WXYDMKBDTCCTTJ-UHFFFAOYSA-N 2 2 290.371 0.631 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@@H]2CCC[N@@H+]2C)[nH+]1 ZINC000635559910 372630480 /nfs/dbraw/zinc/63/04/80/372630480.db2.gz WQAPRIJXCLGNCD-NSHDSACASA-N 2 2 250.346 0.725 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@@H]2CCC[N@H+]2C)[nH+]1 ZINC000635559910 372630485 /nfs/dbraw/zinc/63/04/85/372630485.db2.gz WQAPRIJXCLGNCD-NSHDSACASA-N 2 2 250.346 0.725 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@@H]2CCC[N@H+](C)C2)[nH+]1 ZINC000635539717 372604893 /nfs/dbraw/zinc/60/48/93/372604893.db2.gz GLSZWFMFQDKKTM-NSHDSACASA-N 2 2 264.373 0.973 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000635539717 372604901 /nfs/dbraw/zinc/60/49/01/372604901.db2.gz GLSZWFMFQDKKTM-NSHDSACASA-N 2 2 264.373 0.973 20 0 CCADLP O=C(NC1CC1)[C@H](O)C1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000333137298 205061954 /nfs/dbraw/zinc/06/19/54/205061954.db2.gz JPZLBCZJMJHDKJ-CQSZACIVSA-N 2 2 292.383 0.235 20 0 CCADLP C[C@H](C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)[NH+](C)C ZINC000635696164 372777018 /nfs/dbraw/zinc/77/70/18/372777018.db2.gz WQTGQRLNRFEGMV-HZSPNIEDSA-N 2 2 283.416 0.696 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)[nH+]1 ZINC000635712452 372801781 /nfs/dbraw/zinc/80/17/81/372801781.db2.gz PEIJITWGESAETI-PWSUYJOCSA-N 2 2 280.372 0.350 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)[nH+]1 ZINC000635712452 372801783 /nfs/dbraw/zinc/80/17/83/372801783.db2.gz PEIJITWGESAETI-PWSUYJOCSA-N 2 2 280.372 0.350 20 0 CCADLP CCc1c[nH]c(CC(=O)NCCOCC[NH+](C)C)[nH+]1 ZINC000635772948 372889485 /nfs/dbraw/zinc/88/94/85/372889485.db2.gz VLDRJKISZIFSHH-UHFFFAOYSA-N 2 2 268.361 0.209 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000333320248 205215961 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UVPAURZKFVMEES-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP O=C(NCC[NH2+]C1CC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000637349071 374114801 /nfs/dbraw/zinc/11/48/01/374114801.db2.gz YPELSXUZOKXDON-CQSZACIVSA-N 2 2 296.415 0.245 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCC(Cn2ccnn2)CC1 ZINC000289494083 197375364 /nfs/dbraw/zinc/37/53/64/197375364.db2.gz CSQDMXZOJMZMDE-UHFFFAOYSA-N 2 2 274.372 0.966 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000637442529 374163754 /nfs/dbraw/zinc/16/37/54/374163754.db2.gz RCXIAWRDQFLFQW-UONOGXRCSA-N 2 2 298.431 0.441 20 0 CCADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000637442529 374163758 /nfs/dbraw/zinc/16/37/58/374163758.db2.gz RCXIAWRDQFLFQW-UONOGXRCSA-N 2 2 298.431 0.441 20 0 CCADLP CC(C)[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000637442529 374163764 /nfs/dbraw/zinc/16/37/64/374163764.db2.gz RCXIAWRDQFLFQW-UONOGXRCSA-N 2 2 298.431 0.441 20 0 CCADLP CC(C)[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000637442529 374163768 /nfs/dbraw/zinc/16/37/68/374163768.db2.gz RCXIAWRDQFLFQW-UONOGXRCSA-N 2 2 298.431 0.441 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000637446274 374172148 /nfs/dbraw/zinc/17/21/48/374172148.db2.gz OORXMJBZXADMCY-CQSZACIVSA-N 2 2 296.415 0.054 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000637446274 374172151 /nfs/dbraw/zinc/17/21/51/374172151.db2.gz OORXMJBZXADMCY-CQSZACIVSA-N 2 2 296.415 0.054 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H]1CCC[NH2+]C1)CC2 ZINC000637806306 374335925 /nfs/dbraw/zinc/33/59/25/374335925.db2.gz WQJXHTKXZWKJKZ-NEPJUHHUSA-N 2 2 262.357 0.622 20 0 CCADLP C[NH+]1CCC([N@H+](CCO)CCC[C@@H]2CCO2)CC1 ZINC000637814619 374348034 /nfs/dbraw/zinc/34/80/34/374348034.db2.gz KROREPKANPAIJH-CQSZACIVSA-N 2 2 256.390 0.944 20 0 CCADLP C[NH+]1CCC([N@@H+](CCO)CCC[C@@H]2CCO2)CC1 ZINC000637814619 374348037 /nfs/dbraw/zinc/34/80/37/374348037.db2.gz KROREPKANPAIJH-CQSZACIVSA-N 2 2 256.390 0.944 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N(C)[C@H]1CC[NH2+]C1)CC2 ZINC000637834925 374380399 /nfs/dbraw/zinc/38/03/99/374380399.db2.gz BURGFJDIVXZEBV-NEPJUHHUSA-N 2 2 262.357 0.574 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CCC(C[NH2+]C)CC2)[nH+]1 ZINC000637838249 374384685 /nfs/dbraw/zinc/38/46/85/374384685.db2.gz UAVCKOXAUSAKHI-UHFFFAOYSA-N 2 2 264.373 0.973 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000637851387 374407405 /nfs/dbraw/zinc/40/74/05/374407405.db2.gz HGUSZPDMFHCOBQ-WDEREUQCSA-N 2 2 250.346 0.894 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000637851387 374407407 /nfs/dbraw/zinc/40/74/07/374407407.db2.gz HGUSZPDMFHCOBQ-WDEREUQCSA-N 2 2 250.346 0.894 20 0 CCADLP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H](C)N2CC[NH2+]CC2=O)cc1 ZINC000637856196 374414105 /nfs/dbraw/zinc/41/41/05/374414105.db2.gz JEELDQDLQMWBNO-GHMZBOCLSA-N 2 2 290.367 0.465 20 0 CCADLP Cc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cnc(N)nc2N)C1 ZINC000638059817 374605333 /nfs/dbraw/zinc/60/53/33/374605333.db2.gz XOYNXIURXRRCNL-LBPRGKRZSA-N 2 2 287.371 0.644 20 0 CCADLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cnc(N)nc2N)C1 ZINC000638059817 374605340 /nfs/dbraw/zinc/60/53/40/374605340.db2.gz XOYNXIURXRRCNL-LBPRGKRZSA-N 2 2 287.371 0.644 20 0 CCADLP Cc1ccn2cc(CNC(=O)CN3CC[NH2+]CC3)[nH+]c2c1 ZINC000638077288 374632451 /nfs/dbraw/zinc/63/24/51/374632451.db2.gz QCUWREHTHANHMX-UHFFFAOYSA-N 2 2 287.367 0.164 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)NCCn1cc[nH+]c1C ZINC000638089823 374651336 /nfs/dbraw/zinc/65/13/36/374651336.db2.gz DSALIJZGRMWYRT-UHFFFAOYSA-N 2 2 262.313 0.982 20 0 CCADLP [NH3+][C@@H]1CCO[C@@H]1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000638119327 374687152 /nfs/dbraw/zinc/68/71/52/374687152.db2.gz OVQWDZNPDPRPFO-PWSUYJOCSA-N 2 2 260.297 0.067 20 0 CCADLP CC(C)C[C@H](C(=O)N1CCO[C@@H](C[NH3+])C1)n1cc[nH+]c1 ZINC000638172509 374756256 /nfs/dbraw/zinc/75/62/56/374756256.db2.gz PDXBPGATUDDIEH-QWHCGFSZSA-N 2 2 280.372 0.656 20 0 CCADLP C[C@H](C[NH3+])NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000638173608 374758083 /nfs/dbraw/zinc/75/80/83/374758083.db2.gz ZIJXBDGETSRGKO-SFYZADRCSA-N 2 2 264.251 0.840 20 0 CCADLP C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2c[nH+]c(N)nc2N)C1 ZINC000638134995 374705555 /nfs/dbraw/zinc/70/55/55/374705555.db2.gz QYGDHHGSQZYCRH-LBPRGKRZSA-N 2 2 290.415 0.465 20 0 CCADLP C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2c[nH+]c(N)nc2N)C1 ZINC000638134995 374705557 /nfs/dbraw/zinc/70/55/57/374705557.db2.gz QYGDHHGSQZYCRH-LBPRGKRZSA-N 2 2 290.415 0.465 20 0 CCADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cnc(N)nc1N ZINC000638145288 374716023 /nfs/dbraw/zinc/71/60/23/374716023.db2.gz IZFOUMHAMGJSPQ-GFCCVEGCSA-N 2 2 287.371 0.471 20 0 CCADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cnc(N)nc1N ZINC000638145288 374716026 /nfs/dbraw/zinc/71/60/26/374716026.db2.gz IZFOUMHAMGJSPQ-GFCCVEGCSA-N 2 2 287.371 0.471 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H](C)CC[NH3+])CC2 ZINC000638153121 374723687 /nfs/dbraw/zinc/72/36/87/374723687.db2.gz CEQBBADBYIBZMZ-MWLCHTKSSA-N 2 2 250.346 0.607 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)[nH+]1 ZINC000638209915 374796961 /nfs/dbraw/zinc/79/69/61/374796961.db2.gz FUKKOHXSAPRSSA-MWLCHTKSSA-N 2 2 250.346 0.771 20 0 CCADLP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Cc1[nH]c[nH+]c1C ZINC000638225003 374811500 /nfs/dbraw/zinc/81/15/00/374811500.db2.gz SXXJDLULYQOPRV-UWVGGRQHSA-N 2 2 254.309 0.419 20 0 CCADLP [NH3+]CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(F)(F)F ZINC000638269547 374870139 /nfs/dbraw/zinc/87/01/39/374870139.db2.gz QPVHWLUAWPLKQY-ZXFLCMHBSA-N 2 2 276.262 0.909 20 0 CCADLP [NH3+]CC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(F)(F)F ZINC000638269547 374870143 /nfs/dbraw/zinc/87/01/43/374870143.db2.gz QPVHWLUAWPLKQY-ZXFLCMHBSA-N 2 2 276.262 0.909 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[NH2+]C[C@@](C)(F)C1)CC2 ZINC000638253641 374848499 /nfs/dbraw/zinc/84/84/99/374848499.db2.gz PTXBBFFURBZODG-IUODEOHRSA-N 2 2 294.374 0.914 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N(C)[C@H](C[NH3+])C1CC1)CC2 ZINC000638332083 374933623 /nfs/dbraw/zinc/93/36/23/374933623.db2.gz MZGKVMJMFNVYKO-CHWSQXEVSA-N 2 2 276.384 0.950 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH2+]CC1([NH3+])CCC1 ZINC000568632081 291609912 /nfs/dbraw/zinc/60/99/12/291609912.db2.gz HGJZFTHXZRSOOU-KBPBESRZSA-N 3 2 263.385 0.388 20 0 CCADLP C[NH+]1CCC([NH2+]Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000638304988 374909276 /nfs/dbraw/zinc/90/92/76/374909276.db2.gz XLRZWBXOMHIWPA-UHFFFAOYSA-N 2 2 289.426 0.579 20 0 CCADLP CC(C)CC[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000638413779 375012636 /nfs/dbraw/zinc/01/26/36/375012636.db2.gz FQJHDSLDMPNSPX-KGLIPLIRSA-N 2 2 283.416 0.683 20 0 CCADLP O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CC(F)(F)C[NH2+]1 ZINC000638505761 375095164 /nfs/dbraw/zinc/09/51/64/375095164.db2.gz NUGOZPBSLDTRAX-RKDXNWHRSA-N 2 2 259.300 0.384 20 0 CCADLP O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000638505759 375095571 /nfs/dbraw/zinc/09/55/71/375095571.db2.gz NUGOZPBSLDTRAX-DTWKUNHWSA-N 2 2 259.300 0.384 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCNC(=O)C1 ZINC000638509660 375099751 /nfs/dbraw/zinc/09/97/51/375099751.db2.gz NWTIPQGYONKTMQ-STQMWFEESA-N 2 2 269.389 0.356 20 0 CCADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCNC(=O)C1 ZINC000638509660 375099754 /nfs/dbraw/zinc/09/97/54/375099754.db2.gz NWTIPQGYONKTMQ-STQMWFEESA-N 2 2 269.389 0.356 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@]1(OC)CCOC1 ZINC000638510853 375101380 /nfs/dbraw/zinc/10/13/80/375101380.db2.gz UACWVUHQWWRKGW-UONOGXRCSA-N 2 2 272.389 0.492 20 0 CCADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@]1(OC)CCOC1 ZINC000638510853 375101389 /nfs/dbraw/zinc/10/13/89/375101389.db2.gz UACWVUHQWWRKGW-UONOGXRCSA-N 2 2 272.389 0.492 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cccc2c1OCC2 ZINC000638514102 375105047 /nfs/dbraw/zinc/10/50/47/375105047.db2.gz QHLGZECOYLJCIW-NSHDSACASA-N 2 2 263.341 0.839 20 0 CCADLP CCC[C@@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)OCC ZINC000638456284 375060596 /nfs/dbraw/zinc/06/05/96/375060596.db2.gz BTTZFCJWBIDULU-NWDGAFQWSA-N 2 2 259.394 0.587 20 0 CCADLP CC[C@@H]([NH3+])C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000638584283 375164360 /nfs/dbraw/zinc/16/43/60/375164360.db2.gz SGDKFSDRYNRTCG-LLVKDONJSA-N 2 2 279.388 0.596 20 0 CCADLP COc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638608397 375187922 /nfs/dbraw/zinc/18/79/22/375187922.db2.gz AWTLNMMUWBZBEX-RISCZKNCSA-N 2 2 293.367 0.142 20 0 CCADLP COc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638608397 375187929 /nfs/dbraw/zinc/18/79/29/375187929.db2.gz AWTLNMMUWBZBEX-RISCZKNCSA-N 2 2 293.367 0.142 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000638609682 375188761 /nfs/dbraw/zinc/18/87/61/375188761.db2.gz GKWTXWTWRMPVOF-CABCVRRESA-N 2 2 291.395 0.913 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000638609682 375188769 /nfs/dbraw/zinc/18/87/69/375188769.db2.gz GKWTXWTWRMPVOF-CABCVRRESA-N 2 2 291.395 0.913 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000638609807 375189129 /nfs/dbraw/zinc/18/91/29/375189129.db2.gz HCUZKQRFDXSLKG-KGLIPLIRSA-N 2 2 283.416 0.731 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000638609807 375189131 /nfs/dbraw/zinc/18/91/31/375189131.db2.gz HCUZKQRFDXSLKG-KGLIPLIRSA-N 2 2 283.416 0.731 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000638612624 375195639 /nfs/dbraw/zinc/19/56/39/375195639.db2.gz WBGWFDXRVCTBHW-ZIAGYGMSSA-N 2 2 277.368 0.523 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000638612624 375195645 /nfs/dbraw/zinc/19/56/45/375195645.db2.gz WBGWFDXRVCTBHW-ZIAGYGMSSA-N 2 2 277.368 0.523 20 0 CCADLP CN(CCOCC[NH3+])C(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000638672063 375274916 /nfs/dbraw/zinc/27/49/16/375274916.db2.gz CAQPVNNNXBMZBT-GFCCVEGCSA-N 2 2 287.310 0.398 20 0 CCADLP CN(CCOCC[NH3+])C(=O)Cc1cn2ccccc2[nH+]1 ZINC000638676033 375281058 /nfs/dbraw/zinc/28/10/58/375281058.db2.gz NSDKJLROJVESAX-UHFFFAOYSA-N 2 2 276.340 0.311 20 0 CCADLP C[NH+](C)[C@@]1(C[NH2+][C@H]2CCCNC(=O)C2)CCSC1 ZINC000638719876 375318873 /nfs/dbraw/zinc/31/88/73/375318873.db2.gz HDVQXPVCZVCUJT-WCQYABFASA-N 2 2 271.430 0.682 20 0 CCADLP Nc1ncc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c(N)n1 ZINC000639043357 375542336 /nfs/dbraw/zinc/54/23/36/375542336.db2.gz SZQLVYINFBJWQH-LLVKDONJSA-N 2 2 273.344 0.163 20 0 CCADLP Nc1ncc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c(N)n1 ZINC000639043357 375542343 /nfs/dbraw/zinc/54/23/43/375542343.db2.gz SZQLVYINFBJWQH-LLVKDONJSA-N 2 2 273.344 0.163 20 0 CCADLP Cc1n[nH]cc1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987850 375499783 /nfs/dbraw/zinc/49/97/83/375499783.db2.gz LLIMBZCHWDXUGA-UHFFFAOYSA-N 2 2 286.339 0.775 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639005039 375514287 /nfs/dbraw/zinc/51/42/87/375514287.db2.gz UFQJTRHYYFSQTQ-CYBMUJFWSA-N 2 2 291.399 0.019 20 0 CCADLP CC(C)(C[NH2+][C@@H]1CCn2cc[nH+]c2C1)N1CCOCC1 ZINC000639071875 375559232 /nfs/dbraw/zinc/55/92/32/375559232.db2.gz PXYPWXAGAKVXGV-CYBMUJFWSA-N 2 2 278.400 0.898 20 0 CCADLP CCN(CCC[NH+](CC)CC)Cc1c[nH+]c(N)nc1N ZINC000639173836 375619336 /nfs/dbraw/zinc/61/93/36/375619336.db2.gz KEXGVTZFERESGM-UHFFFAOYSA-N 2 2 280.420 0.856 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](C)NCc1c[nH+]c(N)nc1N ZINC000639188280 375624496 /nfs/dbraw/zinc/62/44/96/375624496.db2.gz ICNOTFOQMLLNEQ-VIFPVBQESA-N 2 2 252.366 0.120 20 0 CCADLP CC(C)[N@H+](C)C[C@H](C)NCc1c[nH+]c(N)nc1N ZINC000639188280 375624501 /nfs/dbraw/zinc/62/45/01/375624501.db2.gz ICNOTFOQMLLNEQ-VIFPVBQESA-N 2 2 252.366 0.120 20 0 CCADLP CC(C)(C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO)N1CCOCC1 ZINC000639219112 375641025 /nfs/dbraw/zinc/64/10/25/375641025.db2.gz PIYKKIIXWFGXDY-HNNXBMFYSA-N 2 2 299.459 0.534 20 0 CCADLP CC(C)(C[NH2+]C[C@@H]1CCCC[N@H+]1CCO)N1CCOCC1 ZINC000639219112 375641029 /nfs/dbraw/zinc/64/10/29/375641029.db2.gz PIYKKIIXWFGXDY-HNNXBMFYSA-N 2 2 299.459 0.534 20 0 CCADLP Cn1cc(CCC[NH2+][C@H]2CCC[N@H+](CCCO)C2)cn1 ZINC000639219577 375642824 /nfs/dbraw/zinc/64/28/24/375642824.db2.gz SAPIZFQZPSRQCM-HNNXBMFYSA-N 2 2 280.416 0.789 20 0 CCADLP Cn1cc(CCC[NH2+][C@H]2CCC[N@@H+](CCCO)C2)cn1 ZINC000639219577 375642831 /nfs/dbraw/zinc/64/28/31/375642831.db2.gz SAPIZFQZPSRQCM-HNNXBMFYSA-N 2 2 280.416 0.789 20 0 CCADLP CO[C@H](C[NH2+][C@H]1CCC[N@H+](CCCO)C1)[C@@H]1CCOC1 ZINC000639220042 375643396 /nfs/dbraw/zinc/64/33/96/375643396.db2.gz VSBQHAGDACLIBQ-QLFBSQMISA-N 2 2 286.416 0.474 20 0 CCADLP CO[C@H](C[NH2+][C@H]1CCC[N@@H+](CCCO)C1)[C@@H]1CCOC1 ZINC000639220042 375643401 /nfs/dbraw/zinc/64/34/01/375643401.db2.gz VSBQHAGDACLIBQ-QLFBSQMISA-N 2 2 286.416 0.474 20 0 CCADLP CC(C)OC[C@H](O)C[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000568857610 291627701 /nfs/dbraw/zinc/62/77/01/291627701.db2.gz IZOIRKYFWZJRIY-ZIAGYGMSSA-N 2 2 274.405 0.330 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000639469999 375793541 /nfs/dbraw/zinc/79/35/41/375793541.db2.gz FRRPFWALXGJUSV-GFCCVEGCSA-N 2 2 264.373 0.940 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000639469999 375793545 /nfs/dbraw/zinc/79/35/45/375793545.db2.gz FRRPFWALXGJUSV-GFCCVEGCSA-N 2 2 264.373 0.940 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+](CCO)Cc1cccnc1 ZINC000639517578 375820997 /nfs/dbraw/zinc/82/09/97/375820997.db2.gz LJXVMDTUDBIJTR-UHFFFAOYSA-N 2 2 260.341 0.852 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+](CCO)Cc1cccnc1 ZINC000639517578 375821006 /nfs/dbraw/zinc/82/10/06/375821006.db2.gz LJXVMDTUDBIJTR-UHFFFAOYSA-N 2 2 260.341 0.852 20 0 CCADLP O=c1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc[nH]1 ZINC000639495897 375809367 /nfs/dbraw/zinc/80/93/67/375809367.db2.gz CKVNPMCVLPAMMQ-AWEZNQCLSA-N 2 2 277.368 0.941 20 0 CCADLP O=c1cc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc[nH]1 ZINC000639495897 375809372 /nfs/dbraw/zinc/80/93/72/375809372.db2.gz CKVNPMCVLPAMMQ-AWEZNQCLSA-N 2 2 277.368 0.941 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000639556742 375836244 /nfs/dbraw/zinc/83/62/44/375836244.db2.gz YZALSJGZIWBWFD-CYBMUJFWSA-N 2 2 262.357 0.659 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000639556742 375836248 /nfs/dbraw/zinc/83/62/48/375836248.db2.gz YZALSJGZIWBWFD-CYBMUJFWSA-N 2 2 262.357 0.659 20 0 CCADLP Cc1nc(N2CC[NH+](C[C@H]3CCc4ncnn43)CC2)cc[nH+]1 ZINC000639585518 375845030 /nfs/dbraw/zinc/84/50/30/375845030.db2.gz JGCXUVSUMDMHDW-CYBMUJFWSA-N 2 2 299.382 0.686 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000639648424 375886139 /nfs/dbraw/zinc/88/61/39/375886139.db2.gz ZRZPTNIMCCUEEY-SNVBAGLBSA-N 2 2 276.344 0.666 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000639648424 375886143 /nfs/dbraw/zinc/88/61/43/375886143.db2.gz ZRZPTNIMCCUEEY-SNVBAGLBSA-N 2 2 276.344 0.666 20 0 CCADLP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1CCc1c[nH+]cn1C ZINC000639675006 375906363 /nfs/dbraw/zinc/90/63/63/375906363.db2.gz YNHOQBPZMJBLPB-OLZOCXBDSA-N 2 2 266.389 0.350 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1CCc1c[nH+]cn1C ZINC000639675006 375906370 /nfs/dbraw/zinc/90/63/70/375906370.db2.gz YNHOQBPZMJBLPB-OLZOCXBDSA-N 2 2 266.389 0.350 20 0 CCADLP Cn1c[nH+]cc1CCC[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000639731899 375960074 /nfs/dbraw/zinc/96/00/74/375960074.db2.gz MPTTXNKLRGDZOD-UHFFFAOYSA-N 2 2 275.360 0.293 20 0 CCADLP C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)[N@@H+]1CCn1cc[nH+]c1 ZINC000639690798 375923803 /nfs/dbraw/zinc/92/38/03/375923803.db2.gz PATKZLJXLQDHLD-IJLUTSLNSA-N 2 2 250.346 0.823 20 0 CCADLP C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)[N@H+]1CCn1cc[nH+]c1 ZINC000639690798 375923806 /nfs/dbraw/zinc/92/38/06/375923806.db2.gz PATKZLJXLQDHLD-IJLUTSLNSA-N 2 2 250.346 0.823 20 0 CCADLP CC(C)CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764916 375992643 /nfs/dbraw/zinc/99/26/43/375992643.db2.gz XDRLHWDIPOLMCV-GOEBONIOSA-N 2 2 299.459 0.926 20 0 CCADLP CC(C)CCNC(=O)[C@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764916 375992646 /nfs/dbraw/zinc/99/26/46/375992646.db2.gz XDRLHWDIPOLMCV-GOEBONIOSA-N 2 2 299.459 0.926 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCn2ccccc2=O)C1 ZINC000639768988 375998824 /nfs/dbraw/zinc/99/88/24/375998824.db2.gz VUCHNBRJWNRGKT-HNNXBMFYSA-N 2 2 279.384 0.237 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCn2ccccc2=O)C1 ZINC000639768988 375998830 /nfs/dbraw/zinc/99/88/30/375998830.db2.gz VUCHNBRJWNRGKT-HNNXBMFYSA-N 2 2 279.384 0.237 20 0 CCADLP CC(C)NC(=O)NCC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762421 375988026 /nfs/dbraw/zinc/98/80/26/375988026.db2.gz LAXCDRORYVDJGZ-CQSZACIVSA-N 2 2 286.420 0.083 20 0 CCADLP CC(C)NC(=O)NCC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762421 375988030 /nfs/dbraw/zinc/98/80/30/375988030.db2.gz LAXCDRORYVDJGZ-CQSZACIVSA-N 2 2 286.420 0.083 20 0 CCADLP C[N@H+](CCC[C@@H]1CCOC1)CC(=O)N1CC[NH+](C)CC1 ZINC000640051725 376219088 /nfs/dbraw/zinc/21/90/88/376219088.db2.gz XQDXXGTVKJKFTC-CQSZACIVSA-N 2 2 283.416 0.509 20 0 CCADLP C[N@@H+](CCC[C@@H]1CCOC1)CC(=O)N1CC[NH+](C)CC1 ZINC000640051725 376219094 /nfs/dbraw/zinc/21/90/94/376219094.db2.gz XQDXXGTVKJKFTC-CQSZACIVSA-N 2 2 283.416 0.509 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCC[C@@H](O)C1 ZINC000640051784 376219165 /nfs/dbraw/zinc/21/91/65/376219165.db2.gz ZTHAUJZCMXRSFG-UONOGXRCSA-N 2 2 283.416 0.243 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCC[C@@H](O)C1 ZINC000640051784 376219169 /nfs/dbraw/zinc/21/91/69/376219169.db2.gz ZTHAUJZCMXRSFG-UONOGXRCSA-N 2 2 283.416 0.243 20 0 CCADLP O=C([C@H]1CC[NH2+]CC1(F)F)N1CC[NH+](C2CCC2)CC1 ZINC000335110705 284566335 /nfs/dbraw/zinc/56/63/35/284566335.db2.gz IHWDTUCXKCQYHH-GFCCVEGCSA-N 2 2 287.354 0.928 20 0 CCADLP Cc1cccn2cc(Cn3cc(COCC[NH3+])nn3)[nH+]c12 ZINC000640954353 376636767 /nfs/dbraw/zinc/63/67/67/376636767.db2.gz YZVNSQIBDJUONS-UHFFFAOYSA-N 2 2 286.339 0.758 20 0 CCADLP CC[NH2+]Cc1ccn(Cc2cn(Cc3c[nH]c[nH+]3)nn2)n1 ZINC000641035578 376692541 /nfs/dbraw/zinc/69/25/41/376692541.db2.gz PQQYUSBOIZXQGQ-UHFFFAOYSA-N 2 2 286.343 0.404 20 0 CCADLP COCC[C@@H]([NH3+])Cc1cn(Cc2cc[nH+]c(C)c2)nn1 ZINC000641090592 376766288 /nfs/dbraw/zinc/76/62/88/376766288.db2.gz YHIMSHFBQKPECW-CYBMUJFWSA-N 2 2 275.356 0.936 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641253014 376944564 /nfs/dbraw/zinc/94/45/64/376944564.db2.gz UZIMQPROXGWTMO-GFCCVEGCSA-N 2 2 286.401 0.287 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641253014 376944569 /nfs/dbraw/zinc/94/45/69/376944569.db2.gz UZIMQPROXGWTMO-GFCCVEGCSA-N 2 2 286.401 0.287 20 0 CCADLP CC1(C)[C@H]([NH2+]CC(=O)Nc2nccs2)C[C@@H]1[NH3+] ZINC000641801174 377471844 /nfs/dbraw/zinc/47/18/44/377471844.db2.gz AUNNHEDTDIQMKW-JGVFFNPUSA-N 2 2 254.359 0.797 20 0 CCADLP CCOC[C@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000459714615 249056658 /nfs/dbraw/zinc/05/66/58/249056658.db2.gz OMLGGIRTTGMKJD-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP CCOC[C@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000459714615 249056660 /nfs/dbraw/zinc/05/66/60/249056660.db2.gz OMLGGIRTTGMKJD-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP C[C@H](NC(=O)C[NH+]1CC(C)(C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000515068858 249120190 /nfs/dbraw/zinc/12/01/90/249120190.db2.gz CWYARSYSPLFBDA-STQMWFEESA-N 2 2 283.416 0.554 20 0 CCADLP FC(F)(F)c1ccnc(NCC[NH2+][C@H]2CC[NH2+]C2)n1 ZINC000515139766 249121610 /nfs/dbraw/zinc/12/16/10/249121610.db2.gz YIAJVSKHOFJOJP-QMMMGPOBSA-N 2 2 275.278 0.859 20 0 CCADLP Cc1nc(CN2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)no1 ZINC000515300207 249125976 /nfs/dbraw/zinc/12/59/76/249125976.db2.gz JMKXWLAUDPJDDI-CQSZACIVSA-N 2 2 279.388 0.495 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCSC[C@H]1CCO ZINC000516191131 249155953 /nfs/dbraw/zinc/15/59/53/249155953.db2.gz GJOULAMFIOCWOJ-VXGBXAGGSA-N 2 2 262.419 0.099 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCSC[C@H]1CCO ZINC000516191131 249155955 /nfs/dbraw/zinc/15/59/55/249155955.db2.gz GJOULAMFIOCWOJ-VXGBXAGGSA-N 2 2 262.419 0.099 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCSC[C@H]1CCO ZINC000516191131 249155957 /nfs/dbraw/zinc/15/59/57/249155957.db2.gz GJOULAMFIOCWOJ-VXGBXAGGSA-N 2 2 262.419 0.099 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCSC[C@H]1CCO ZINC000516191131 249155958 /nfs/dbraw/zinc/15/59/58/249155958.db2.gz GJOULAMFIOCWOJ-VXGBXAGGSA-N 2 2 262.419 0.099 20 0 CCADLP C[C@H]1CCN(C(=O)N[C@H]2CC[NH2+]C2)C[C@@H]1n1cc[nH+]c1 ZINC000516195498 249157000 /nfs/dbraw/zinc/15/70/00/249157000.db2.gz ZIWOWDVMCHZFTE-AVGNSLFASA-N 2 2 277.372 0.838 20 0 CCADLP C[N@@H+]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC000516222985 249157075 /nfs/dbraw/zinc/15/70/75/249157075.db2.gz HBPRKARXCREYLS-STQMWFEESA-N 2 2 262.357 0.826 20 0 CCADLP C[N@H+]1CCC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC000516222985 249157077 /nfs/dbraw/zinc/15/70/77/249157077.db2.gz HBPRKARXCREYLS-STQMWFEESA-N 2 2 262.357 0.826 20 0 CCADLP [NH3+]C[C@H]1CN(C(=O)C2CC[NH+](CC(F)F)CC2)CCO1 ZINC000515647460 249141203 /nfs/dbraw/zinc/14/12/03/249141203.db2.gz PRUPWRBMEXAPMN-NSHDSACASA-N 2 2 291.342 0.150 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]CCCNc1cccc[nH+]1)C1CC1 ZINC000516454767 249164956 /nfs/dbraw/zinc/16/49/56/249164956.db2.gz VMBGMYPKBUXYMW-CQSZACIVSA-N 3 2 278.400 0.928 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]CCCNc1cccc[nH+]1)C1CC1 ZINC000516454767 249164959 /nfs/dbraw/zinc/16/49/59/249164959.db2.gz VMBGMYPKBUXYMW-CQSZACIVSA-N 3 2 278.400 0.928 20 0 CCADLP C[C@@H]1COCCN1CC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000515863122 249146602 /nfs/dbraw/zinc/14/66/02/249146602.db2.gz JSIYQKXVOSUPKN-KGLIPLIRSA-N 2 2 278.400 0.930 20 0 CCADLP C[C@@H]1COCCN1CC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000515863122 249146604 /nfs/dbraw/zinc/14/66/04/249146604.db2.gz JSIYQKXVOSUPKN-KGLIPLIRSA-N 2 2 278.400 0.930 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3scnc3C3CC3)CCN2C1=O ZINC000517176048 249207395 /nfs/dbraw/zinc/20/73/95/249207395.db2.gz LEEFJBPJFVDMAM-MNOVXSKESA-N 2 2 292.408 0.764 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3scnc3C3CC3)CCN2C1=O ZINC000517176048 249207398 /nfs/dbraw/zinc/20/73/98/249207398.db2.gz LEEFJBPJFVDMAM-MNOVXSKESA-N 2 2 292.408 0.764 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[N@@H+]1CCCC1(C)C ZINC000516851401 249181977 /nfs/dbraw/zinc/18/19/77/249181977.db2.gz IGDIDKMFFXDWGR-UHFFFAOYSA-N 2 2 264.373 0.953 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[N@H+]1CCCC1(C)C ZINC000516851401 249181979 /nfs/dbraw/zinc/18/19/79/249181979.db2.gz IGDIDKMFFXDWGR-UHFFFAOYSA-N 2 2 264.373 0.953 20 0 CCADLP OCC1(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CCCC1 ZINC000517024120 249198225 /nfs/dbraw/zinc/19/82/25/249198225.db2.gz GDCROWGYVGBGPF-KBPBESRZSA-N 2 2 268.401 0.896 20 0 CCADLP C[C@H]([NH3+])C1CCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000517935911 249235860 /nfs/dbraw/zinc/23/58/60/249235860.db2.gz HKDXYQYHBUGKBE-STQMWFEESA-N 2 2 282.432 0.208 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(c2nc(C)c(C)s2)CC1 ZINC000517948608 249236312 /nfs/dbraw/zinc/23/63/12/249236312.db2.gz WEFQLBMOYBEXQM-CQSZACIVSA-N 2 2 298.456 0.852 20 0 CCADLP [NH3+][C@H](C(=O)N1CC[NH+]2CCC1CC2)c1cscn1 ZINC000517234979 249210548 /nfs/dbraw/zinc/21/05/48/249210548.db2.gz YPRWWWCGZCHMHT-NSHDSACASA-N 2 2 266.370 0.450 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)nc[nH+]1 ZINC000643031887 377695896 /nfs/dbraw/zinc/69/58/96/377695896.db2.gz ZCHIQRJKKDOSEB-SDDRHHMPSA-N 2 2 277.372 0.458 20 0 CCADLP C[C@@H]1C[N@H+](CCc2nnnn2-c2ccccc2)C[C@H]1[NH3+] ZINC000643074543 377713347 /nfs/dbraw/zinc/71/33/47/377713347.db2.gz WKSFDJIPLCTVCX-DGCLKSJQSA-N 2 2 272.356 0.484 20 0 CCADLP C[C@@H]1C[N@@H+](CCc2nnnn2-c2ccccc2)C[C@H]1[NH3+] ZINC000643074543 377713356 /nfs/dbraw/zinc/71/33/56/377713356.db2.gz WKSFDJIPLCTVCX-DGCLKSJQSA-N 2 2 272.356 0.484 20 0 CCADLP CCCCNC(=O)CC[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643065706 377709652 /nfs/dbraw/zinc/70/96/52/377709652.db2.gz FKBHCZYTIYJWGQ-OLZOCXBDSA-N 2 2 253.390 0.977 20 0 CCADLP CCCCNC(=O)CC[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643065706 377709662 /nfs/dbraw/zinc/70/96/62/377709662.db2.gz FKBHCZYTIYJWGQ-OLZOCXBDSA-N 2 2 253.390 0.977 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)CC(C)(C)C ZINC000657092069 412886638 /nfs/dbraw/zinc/88/66/38/412886638.db2.gz PMEGPFRBCHITHE-UHFFFAOYSA-N 2 2 293.477 0.835 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)CC(C)(C)C ZINC000657092069 412886641 /nfs/dbraw/zinc/88/66/41/412886641.db2.gz PMEGPFRBCHITHE-UHFFFAOYSA-N 2 2 293.477 0.835 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000569605551 291694182 /nfs/dbraw/zinc/69/41/82/291694182.db2.gz MKQWXKZDFFWKAU-IJLUTSLNSA-N 2 2 296.392 0.691 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]Cc1ccc(F)nc1C ZINC000278666405 194091676 /nfs/dbraw/zinc/09/16/76/194091676.db2.gz GXBNGDQSRMAGHE-UHFFFAOYSA-N 2 2 255.337 0.933 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]Cc1ccc(F)nc1C ZINC000278666405 194091677 /nfs/dbraw/zinc/09/16/77/194091677.db2.gz GXBNGDQSRMAGHE-UHFFFAOYSA-N 2 2 255.337 0.933 20 0 CCADLP C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000278759558 194141103 /nfs/dbraw/zinc/14/11/03/194141103.db2.gz XEJCQBIYLRFZKB-SMDDNHRTSA-N 2 2 261.325 0.964 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000279108841 194286976 /nfs/dbraw/zinc/28/69/76/194286976.db2.gz YDAUKGQEBOZWKB-NSHDSACASA-N 2 2 288.355 0.503 20 0 CCADLP C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)[C@@H](C)[NH+]1CCOCC1 ZINC000279351381 194396159 /nfs/dbraw/zinc/39/61/59/194396159.db2.gz FHGDSZJCVKSWBJ-VXGBXAGGSA-N 2 2 280.372 0.568 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(CCCn2cc[nH+]c2C)CC1 ZINC000136401056 284887902 /nfs/dbraw/zinc/88/79/02/284887902.db2.gz WYVRQAYHBIYHBN-HNNXBMFYSA-N 2 2 280.416 0.970 20 0 CCADLP [NH3+][C@@H]1CCCN(C(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000334910038 207278255 /nfs/dbraw/zinc/27/82/55/207278255.db2.gz UBUHKWGWAFVNBR-LLVKDONJSA-N 2 2 273.340 0.967 20 0 CCADLP C[NH+](CCc1cnccn1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289406077 197332093 /nfs/dbraw/zinc/33/20/93/197332093.db2.gz UATPGWRFWBQLSD-AWEZNQCLSA-N 2 2 264.373 0.406 20 0 CCADLP C[NH+]1CCN(C(=O)CC[NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657347413 412965363 /nfs/dbraw/zinc/96/53/63/412965363.db2.gz ZWBSVUQZSSFFBP-UHFFFAOYSA-N 3 2 291.399 0.083 20 0 CCADLP C[C@H]([C@H](C)NC(=O)C1(C[NH3+])CCCC1)[NH+]1CCOCC1 ZINC000237544473 284971638 /nfs/dbraw/zinc/97/16/38/284971638.db2.gz XQBLHCKWZIYUAK-QWHCGFSZSA-N 2 2 283.416 0.731 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2ccon2)C1 ZINC000362827735 296339628 /nfs/dbraw/zinc/33/96/28/296339628.db2.gz UZLNWKJMGIQSSR-LBPRGKRZSA-N 2 2 264.329 0.071 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2ccon2)C1 ZINC000362827735 296339631 /nfs/dbraw/zinc/33/96/31/296339631.db2.gz UZLNWKJMGIQSSR-LBPRGKRZSA-N 2 2 264.329 0.071 20 0 CCADLP COCCN1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)C1 ZINC000449389081 532985861 /nfs/dbraw/zinc/98/58/61/532985861.db2.gz BWNVUCZKVQKXNW-GJZGRUSLSA-N 2 2 285.432 0.144 20 0 CCADLP COCCN1CC[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2CCO)C1 ZINC000449389081 532985865 /nfs/dbraw/zinc/98/58/65/532985865.db2.gz BWNVUCZKVQKXNW-GJZGRUSLSA-N 2 2 285.432 0.144 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)NC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000418692735 532990917 /nfs/dbraw/zinc/99/09/17/532990917.db2.gz GCQQOTNXDUBVFU-NEPJUHHUSA-N 2 2 280.372 0.843 20 0 CCADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000571850322 291841274 /nfs/dbraw/zinc/84/12/74/291841274.db2.gz CUDGEVBBKUAEKU-UONOGXRCSA-N 2 2 278.352 0.993 20 0 CCADLP COCC[C@](C)(O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000248214975 285061678 /nfs/dbraw/zinc/06/16/78/285061678.db2.gz ZLYGZGGQEPTFHK-SCRDCRAPSA-N 2 2 256.390 0.989 20 0 CCADLP COCC[C@](C)(O)C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000248214975 285061679 /nfs/dbraw/zinc/06/16/79/285061679.db2.gz ZLYGZGGQEPTFHK-SCRDCRAPSA-N 2 2 256.390 0.989 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CCn2cnnc2C2CC2)n1C ZINC000657364575 412973189 /nfs/dbraw/zinc/97/31/89/412973189.db2.gz NLFMXNWPFXTPRM-UHFFFAOYSA-N 2 2 260.345 0.987 20 0 CCADLP OCC[C@]1(C[NH2+]Cc2c[nH+]c3n2CCC3)CCOC1 ZINC000657397379 412982063 /nfs/dbraw/zinc/98/20/63/412982063.db2.gz BICNLHAFCWWTFK-CQSZACIVSA-N 2 2 265.357 0.708 20 0 CCADLP CO[C@@H]1COC[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000657407834 412985024 /nfs/dbraw/zinc/98/50/24/412985024.db2.gz HWEDTSKEARQXGN-OWCLPIDISA-N 2 2 294.395 0.483 20 0 CCADLP CO[C@@H]1COC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000657407834 412985027 /nfs/dbraw/zinc/98/50/27/412985027.db2.gz HWEDTSKEARQXGN-OWCLPIDISA-N 2 2 294.395 0.483 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000249363025 285111572 /nfs/dbraw/zinc/11/15/72/285111572.db2.gz LZDVZVIPXUUDEC-HUUCEWRRSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000249363025 285111575 /nfs/dbraw/zinc/11/15/75/285111575.db2.gz LZDVZVIPXUUDEC-HUUCEWRRSA-N 2 2 299.459 0.484 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+](C)CCc1cnccn1)C1CC1 ZINC000289406077 197332088 /nfs/dbraw/zinc/33/20/88/197332088.db2.gz UATPGWRFWBQLSD-AWEZNQCLSA-N 2 2 264.373 0.406 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+](C)CCc1cnccn1)C1CC1 ZINC000289406077 197332090 /nfs/dbraw/zinc/33/20/90/197332090.db2.gz UATPGWRFWBQLSD-AWEZNQCLSA-N 2 2 264.373 0.406 20 0 CCADLP C[NH+](CCc1cnccn1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000289406077 197332092 /nfs/dbraw/zinc/33/20/92/197332092.db2.gz UATPGWRFWBQLSD-AWEZNQCLSA-N 2 2 264.373 0.406 20 0 CCADLP CCOCC[N@@H+]1CCN(CC[NH+]2CCOC[C@@H]2C)C[C@H]1C ZINC000249430899 285116348 /nfs/dbraw/zinc/11/63/48/285116348.db2.gz DWLZJHUYHXWZKU-CVEARBPZSA-N 2 2 299.459 0.750 20 0 CCADLP CCOCC[N@H+]1CCN(CC[NH+]2CCOC[C@@H]2C)C[C@H]1C ZINC000249430899 285116351 /nfs/dbraw/zinc/11/63/51/285116351.db2.gz DWLZJHUYHXWZKU-CVEARBPZSA-N 2 2 299.459 0.750 20 0 CCADLP CCOCC[NH+]1CCN(CC[N@H+]2CCOC[C@@H]2C)C[C@H]1C ZINC000249430899 285116356 /nfs/dbraw/zinc/11/63/56/285116356.db2.gz DWLZJHUYHXWZKU-CVEARBPZSA-N 2 2 299.459 0.750 20 0 CCADLP C[C@H](Cn1cccn1)[NH2+]Cc1nc(C(C)(C)[NH3+])no1 ZINC000574811273 335049229 /nfs/dbraw/zinc/04/92/29/335049229.db2.gz GCLKRHFSSAFXFR-SECBINFHSA-N 2 2 264.333 0.638 20 0 CCADLP COCCO[C@H]1COCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657440037 412991422 /nfs/dbraw/zinc/99/14/22/412991422.db2.gz LFTCAUQIXDPPLI-KGLIPLIRSA-N 2 2 295.383 0.739 20 0 CCADLP COCC(C)(C)[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000425354312 533096586 /nfs/dbraw/zinc/09/65/86/533096586.db2.gz RPFQMAOMUNPXQP-UHFFFAOYSA-N 2 2 266.389 0.963 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@H](OC)C2)CC1 ZINC000251509654 285147108 /nfs/dbraw/zinc/14/71/08/285147108.db2.gz CBFKVFNTHQIMGM-QLFBSQMISA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@H](OC)C2)CC1 ZINC000251509654 285147111 /nfs/dbraw/zinc/14/71/11/285147111.db2.gz CBFKVFNTHQIMGM-QLFBSQMISA-N 2 2 297.443 0.896 20 0 CCADLP CS(=O)(=O)C1(C[NH2+]Cc2c[nH+]c3n2CCC3)CCC1 ZINC000657455618 412995273 /nfs/dbraw/zinc/99/52/73/412995273.db2.gz ALKSAOJRPDORGD-UHFFFAOYSA-N 2 2 283.397 0.886 20 0 CCADLP CC[NH+]1CCC([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000422773505 285191731 /nfs/dbraw/zinc/19/17/31/285191731.db2.gz UFHQXNZCHRDKKQ-HUUCEWRRSA-N 3 2 267.417 0.827 20 0 CCADLP CC[NH+]1CCC([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000422773506 285191800 /nfs/dbraw/zinc/19/18/00/285191800.db2.gz UFHQXNZCHRDKKQ-LSDHHAIUSA-N 3 2 267.417 0.827 20 0 CCADLP C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000288686703 197145302 /nfs/dbraw/zinc/14/53/02/197145302.db2.gz XPGIXBTYWAZRJO-CMPLNLGQSA-N 2 2 279.365 0.857 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000572759348 291902474 /nfs/dbraw/zinc/90/24/74/291902474.db2.gz AIVHIEMRLOIEIZ-RYUDHWBXSA-N 2 2 286.420 0.522 20 0 CCADLP CO[C@H](C[NH2+]Cc1c[nH+]c(C)n1C)[C@@H]1CCOC1 ZINC000657540446 413019917 /nfs/dbraw/zinc/01/99/17/413019917.db2.gz HALXIQJNFYWCEO-DGCLKSJQSA-N 2 2 253.346 0.870 20 0 CCADLP COCC[N@@H+]1CC[C@H]([NH2+]CC[C@@H](COC)OC)C1 ZINC000657552387 413023217 /nfs/dbraw/zinc/02/32/17/413023217.db2.gz CZHJXYVAOYTUSE-STQMWFEESA-N 2 2 260.378 0.348 20 0 CCADLP COCC[N@H+]1CC[C@H]([NH2+]CC[C@@H](COC)OC)C1 ZINC000657552387 413023224 /nfs/dbraw/zinc/02/32/24/413023224.db2.gz CZHJXYVAOYTUSE-STQMWFEESA-N 2 2 260.378 0.348 20 0 CCADLP CN(C)C(=O)O[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000496197762 285266316 /nfs/dbraw/zinc/26/63/16/285266316.db2.gz PYZJRNIJAMCJST-QWHCGFSZSA-N 2 2 285.388 0.214 20 0 CCADLP CN(C)C(=O)O[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000496197762 285266318 /nfs/dbraw/zinc/26/63/18/285266318.db2.gz PYZJRNIJAMCJST-QWHCGFSZSA-N 2 2 285.388 0.214 20 0 CCADLP CN(C)C(=O)O[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000496197762 285266321 /nfs/dbraw/zinc/26/63/21/285266321.db2.gz PYZJRNIJAMCJST-QWHCGFSZSA-N 2 2 285.388 0.214 20 0 CCADLP CN(C)C(=O)O[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000496197762 285266326 /nfs/dbraw/zinc/26/63/26/285266326.db2.gz PYZJRNIJAMCJST-QWHCGFSZSA-N 2 2 285.388 0.214 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](c2c[nH+]cn2C)N(C)C)CC1 ZINC000281283972 195179705 /nfs/dbraw/zinc/17/97/05/195179705.db2.gz XFWBSHWCKPNDMV-CYBMUJFWSA-N 2 2 279.388 0.187 20 0 CCADLP COC(=O)C[C@H]([NH3+])C(=O)NCCCCNc1cccc[nH+]1 ZINC000574875192 335054221 /nfs/dbraw/zinc/05/42/21/335054221.db2.gz WMXAKMBBRJRRJV-NSHDSACASA-N 2 2 294.355 0.280 20 0 CCADLP C[C@H](CNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)[NH+](C)C1CC1 ZINC000524262691 285311552 /nfs/dbraw/zinc/31/15/52/285311552.db2.gz LDSCIOUNBLOBBA-OCCSQVGLSA-N 2 2 297.447 0.014 20 0 CCADLP C[C@H](CNC(=O)NC[C@H]1CN(C)CC[N@H+]1C)[NH+](C)C1CC1 ZINC000524262691 285311555 /nfs/dbraw/zinc/31/15/55/285311555.db2.gz LDSCIOUNBLOBBA-OCCSQVGLSA-N 2 2 297.447 0.014 20 0 CCADLP C[C@H](CNC(=O)NC[C@H]1CN(C)CC[NH+]1C)[N@H+](C)C1CC1 ZINC000524262691 285311557 /nfs/dbraw/zinc/31/15/57/285311557.db2.gz LDSCIOUNBLOBBA-OCCSQVGLSA-N 2 2 297.447 0.014 20 0 CCADLP C[C@H](CNC(=O)NC[C@H]1CN(C)CC[NH+]1C)[N@@H+](C)C1CC1 ZINC000524262691 285311561 /nfs/dbraw/zinc/31/15/61/285311561.db2.gz LDSCIOUNBLOBBA-OCCSQVGLSA-N 2 2 297.447 0.014 20 0 CCADLP CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000657602245 413033549 /nfs/dbraw/zinc/03/35/49/413033549.db2.gz FGYMBPVQGXBWFC-NEPJUHHUSA-N 2 2 295.364 0.236 20 0 CCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C1(C)C[NH2+]C1 ZINC000575038733 335057517 /nfs/dbraw/zinc/05/75/17/335057517.db2.gz NMKLBVLPXBHRKW-UHFFFAOYSA-N 2 2 262.357 0.787 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]Cc1ccc(C(=O)NC)cc1 ZINC000184549845 388775859 /nfs/dbraw/zinc/77/58/59/388775859.db2.gz DZHOKXPUPQVZNI-UHFFFAOYSA-N 2 2 279.384 0.450 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]Cc1ccc(C(=O)NC)cc1 ZINC000184549845 388775863 /nfs/dbraw/zinc/77/58/63/388775863.db2.gz DZHOKXPUPQVZNI-UHFFFAOYSA-N 2 2 279.384 0.450 20 0 CCADLP C[C@@H]1CCCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000187987067 388907627 /nfs/dbraw/zinc/90/76/27/388907627.db2.gz BQPQNXGBKCHJKL-CYBMUJFWSA-N 2 2 253.390 0.882 20 0 CCADLP C[C@@H]1CCCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000187987067 388907632 /nfs/dbraw/zinc/90/76/32/388907632.db2.gz BQPQNXGBKCHJKL-CYBMUJFWSA-N 2 2 253.390 0.882 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(Cc2[nH+]ccn2C)[C@H](C)C1 ZINC000189568405 388964030 /nfs/dbraw/zinc/96/40/30/388964030.db2.gz NIWGDFZMEXLYFU-VXGBXAGGSA-N 2 2 252.362 0.307 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(Cc2[nH+]ccn2C)[C@H](C)C1 ZINC000189568405 388964032 /nfs/dbraw/zinc/96/40/32/388964032.db2.gz NIWGDFZMEXLYFU-VXGBXAGGSA-N 2 2 252.362 0.307 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCO[C@H]2CC2(F)F)n1C ZINC000657619040 413039627 /nfs/dbraw/zinc/03/96/27/413039627.db2.gz KOPHZUPJCOTAIZ-JTQLQIEISA-N 2 2 274.315 1.000 20 0 CCADLP CO[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)CC[C@H]1C ZINC000189366260 388956908 /nfs/dbraw/zinc/95/69/08/388956908.db2.gz VMFNRVUEADYTOP-OLZOCXBDSA-N 2 2 269.389 0.117 20 0 CCADLP CO[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CC[C@H]1C ZINC000189366260 388956910 /nfs/dbraw/zinc/95/69/10/388956910.db2.gz VMFNRVUEADYTOP-OLZOCXBDSA-N 2 2 269.389 0.117 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000073180364 388974696 /nfs/dbraw/zinc/97/46/96/388974696.db2.gz FOXHWWRDTYIAJR-ZDUSSCGKSA-N 2 2 280.372 0.356 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000073180364 388974699 /nfs/dbraw/zinc/97/46/99/388974699.db2.gz FOXHWWRDTYIAJR-ZDUSSCGKSA-N 2 2 280.372 0.356 20 0 CCADLP C[NH2+]CCCNC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000083419791 389002880 /nfs/dbraw/zinc/00/28/80/389002880.db2.gz JICBMPDVOUTVBL-NSHDSACASA-N 2 2 257.284 0.690 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[NH2+]CCC[NH+]1CCCCC1 ZINC000081899032 389001287 /nfs/dbraw/zinc/00/12/87/389001287.db2.gz XQURVKCONFKHMJ-LBPRGKRZSA-N 2 2 262.419 0.885 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)NC1CC[NH+](C)CC1 ZINC000292955833 388971646 /nfs/dbraw/zinc/97/16/46/388971646.db2.gz HDEZDEWUNHMTDW-UHFFFAOYSA-N 2 2 278.356 0.984 20 0 CCADLP C[C@@H](C[NH2+]Cc1cn2cccnc2n1)C[NH+]1CCOCC1 ZINC000298575930 389032466 /nfs/dbraw/zinc/03/24/66/389032466.db2.gz XIOGQEKPEIAWKC-ZDUSSCGKSA-N 2 2 289.383 0.787 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000336842510 389026275 /nfs/dbraw/zinc/02/62/75/389026275.db2.gz SPSRWMRECNJOKE-LSDHHAIUSA-N 2 2 294.443 0.367 20 0 CCADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000336842510 389026280 /nfs/dbraw/zinc/02/62/80/389026280.db2.gz SPSRWMRECNJOKE-LSDHHAIUSA-N 2 2 294.443 0.367 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[NH+](CC(C)(C)O)C[C@@H]2C)CCO1 ZINC000192838711 389055833 /nfs/dbraw/zinc/05/58/33/389055833.db2.gz QWQFGNITUCPINM-LSDHHAIUSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](CC(C)(C)O)C[C@@H]2C)CCO1 ZINC000192838711 389055835 /nfs/dbraw/zinc/05/58/35/389055835.db2.gz QWQFGNITUCPINM-LSDHHAIUSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CCO1 ZINC000192838711 389055837 /nfs/dbraw/zinc/05/58/37/389055837.db2.gz QWQFGNITUCPINM-LSDHHAIUSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CCO1 ZINC000192838711 389055839 /nfs/dbraw/zinc/05/58/39/389055839.db2.gz QWQFGNITUCPINM-LSDHHAIUSA-N 2 2 299.459 0.484 20 0 CCADLP CC[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)[C@H]1CCOC1 ZINC000301641614 389055977 /nfs/dbraw/zinc/05/59/77/389055977.db2.gz CIPLPJFXJIECCL-IHRRRGAJSA-N 2 2 255.406 0.637 20 0 CCADLP CC[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)[C@H]1CCOC1 ZINC000301641614 389055982 /nfs/dbraw/zinc/05/59/82/389055982.db2.gz CIPLPJFXJIECCL-IHRRRGAJSA-N 2 2 255.406 0.637 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000302153292 389064015 /nfs/dbraw/zinc/06/40/15/389064015.db2.gz MIQGNHVAETZTFZ-LLVKDONJSA-N 2 2 278.356 0.073 20 0 CCADLP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCOCC1)[NH+](C)C ZINC000338153006 389080611 /nfs/dbraw/zinc/08/06/11/389080611.db2.gz DLEIBYPMUOJLRD-NSHDSACASA-N 2 2 257.378 0.164 20 0 CCADLP C[C@@H]1C[C@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@@H+]1C ZINC000355519065 389088759 /nfs/dbraw/zinc/08/87/59/389088759.db2.gz JFCKDNGLKCGTGC-ZIAGYGMSSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]1C[C@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@H+]1C ZINC000355519065 389088763 /nfs/dbraw/zinc/08/87/63/389088763.db2.gz JFCKDNGLKCGTGC-ZIAGYGMSSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)Cc2[nH]cc[nH+]2)C[C@H](C)O1 ZINC000192449878 389037234 /nfs/dbraw/zinc/03/72/34/389037234.db2.gz ZTLZKRKZKGDVGT-TXEJJXNPSA-N 2 2 252.362 0.951 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)Cc2[nH]cc[nH+]2)C[C@H](C)O1 ZINC000192449878 389037237 /nfs/dbraw/zinc/03/72/37/389037237.db2.gz ZTLZKRKZKGDVGT-TXEJJXNPSA-N 2 2 252.362 0.951 20 0 CCADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)OC(C)(C)C ZINC000338238656 389096034 /nfs/dbraw/zinc/09/60/34/389096034.db2.gz LRIBVCMMQBXACV-UHFFFAOYSA-N 2 2 299.415 0.424 20 0 CCADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)OC(C)(C)C ZINC000338238656 389096036 /nfs/dbraw/zinc/09/60/36/389096036.db2.gz LRIBVCMMQBXACV-UHFFFAOYSA-N 2 2 299.415 0.424 20 0 CCADLP CC[NH+](CC)CC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194762776 389103032 /nfs/dbraw/zinc/10/30/32/389103032.db2.gz SRLFTWSIDMZUSS-OKILXGFUSA-N 2 2 285.432 0.896 20 0 CCADLP CC[NH+](CC)CC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194762776 389103034 /nfs/dbraw/zinc/10/30/34/389103034.db2.gz SRLFTWSIDMZUSS-OKILXGFUSA-N 2 2 285.432 0.896 20 0 CCADLP CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000311565780 389103761 /nfs/dbraw/zinc/10/37/61/389103761.db2.gz DPCUWXKQUKXNAM-CHWSQXEVSA-N 2 2 289.445 0.342 20 0 CCADLP CN(C)S(=O)(=O)CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000311565780 389103763 /nfs/dbraw/zinc/10/37/63/389103763.db2.gz DPCUWXKQUKXNAM-CHWSQXEVSA-N 2 2 289.445 0.342 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@](C)(O)CC1 ZINC000311659095 389104497 /nfs/dbraw/zinc/10/44/97/389104497.db2.gz FIKGEZNAEPQLMW-KGLIPLIRSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@](C)(O)CC1 ZINC000311659095 389104498 /nfs/dbraw/zinc/10/44/98/389104498.db2.gz FIKGEZNAEPQLMW-KGLIPLIRSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@](C)(O)CC1 ZINC000311659095 389104500 /nfs/dbraw/zinc/10/45/00/389104500.db2.gz FIKGEZNAEPQLMW-KGLIPLIRSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@](C)(O)CC1 ZINC000311659095 389104501 /nfs/dbraw/zinc/10/45/01/389104501.db2.gz FIKGEZNAEPQLMW-KGLIPLIRSA-N 2 2 274.405 0.162 20 0 CCADLP COC(=O)c1cc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)oc1C ZINC000313344038 389113389 /nfs/dbraw/zinc/11/33/89/389113389.db2.gz DQWTVEWYIJNHIF-GFCCVEGCSA-N 2 2 282.340 0.924 20 0 CCADLP COC(=O)c1cc(C[N@H+]2CCCO[C@H](C[NH3+])C2)oc1C ZINC000313344038 389113391 /nfs/dbraw/zinc/11/33/91/389113391.db2.gz DQWTVEWYIJNHIF-GFCCVEGCSA-N 2 2 282.340 0.924 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000356149674 389120702 /nfs/dbraw/zinc/12/07/02/389120702.db2.gz FZVSVMXCJNASNR-OLZOCXBDSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000356149674 389120704 /nfs/dbraw/zinc/12/07/04/389120704.db2.gz FZVSVMXCJNASNR-OLZOCXBDSA-N 2 2 286.420 0.347 20 0 CCADLP CC[C@](C)(C[NH2+]CC(=O)N1CC[NH+](C)CC1)OC ZINC000322675869 389122909 /nfs/dbraw/zinc/12/29/09/389122909.db2.gz GYZJFFPIXGUPIE-CYBMUJFWSA-N 2 2 257.378 0.165 20 0 CCADLP CC(C)[C@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C)[NH+](C)C ZINC000356701902 389127399 /nfs/dbraw/zinc/12/73/99/389127399.db2.gz GTVFBLGGBNENAG-RBSFLKMASA-N 2 2 297.443 0.894 20 0 CCADLP CC(C)C[NH+]1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1 ZINC000221100160 389140046 /nfs/dbraw/zinc/14/00/46/389140046.db2.gz FBJNBYFSJJOMSM-ZDUSSCGKSA-N 2 2 274.430 0.884 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000358034624 389141571 /nfs/dbraw/zinc/14/15/71/389141571.db2.gz HLDYYADDBWLKCP-YNEHKIRRSA-N 2 2 289.445 0.340 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000358034624 389141573 /nfs/dbraw/zinc/14/15/73/389141573.db2.gz HLDYYADDBWLKCP-YNEHKIRRSA-N 2 2 289.445 0.340 20 0 CCADLP C[C@H](CNC(=O)C1(C[NH3+])CCCC1)[NH+]1CCOCC1 ZINC000237377309 389188597 /nfs/dbraw/zinc/18/85/97/389188597.db2.gz SKDDYHKNDCSWKE-GFCCVEGCSA-N 2 2 269.389 0.342 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@]2(C1)NC(=O)NC2=O)C1CC1 ZINC000329728814 389193358 /nfs/dbraw/zinc/19/33/58/389193358.db2.gz CTFLTJGMMIPTBE-RISCZKNCSA-N 2 2 296.371 0.160 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@]2(C1)NC(=O)NC2=O)C1CC1 ZINC000329728814 389193359 /nfs/dbraw/zinc/19/33/59/389193359.db2.gz CTFLTJGMMIPTBE-RISCZKNCSA-N 2 2 296.371 0.160 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)C1CC1 ZINC000329728814 389193361 /nfs/dbraw/zinc/19/33/61/389193361.db2.gz CTFLTJGMMIPTBE-RISCZKNCSA-N 2 2 296.371 0.160 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O)C1CC1 ZINC000329728814 389193362 /nfs/dbraw/zinc/19/33/62/389193362.db2.gz CTFLTJGMMIPTBE-RISCZKNCSA-N 2 2 296.371 0.160 20 0 CCADLP [NH3+]C1CC[NH+](CC(=O)NCCOc2cccc(F)c2)CC1 ZINC000237872045 389195665 /nfs/dbraw/zinc/19/56/65/389195665.db2.gz BPPBNKWROPEFMW-UHFFFAOYSA-N 2 2 295.358 0.744 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](CO)[C@H]1CCOC1 ZINC000360885979 389206325 /nfs/dbraw/zinc/20/63/25/389206325.db2.gz UBFFQOBCEBLERJ-OSFYFWSMSA-N 2 2 268.401 0.704 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](CO)[C@H]1CCOC1 ZINC000360885979 389206328 /nfs/dbraw/zinc/20/63/28/389206328.db2.gz UBFFQOBCEBLERJ-OSFYFWSMSA-N 2 2 268.401 0.704 20 0 CCADLP [NH3+]CCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000237982076 389198365 /nfs/dbraw/zinc/19/83/65/389198365.db2.gz VLIFLEJDUMJVSJ-UHFFFAOYSA-N 2 2 263.341 0.207 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123954056 389158678 /nfs/dbraw/zinc/15/86/78/389158678.db2.gz YNOMNFSAJOFNQG-MNOVXSKESA-N 2 2 270.377 0.247 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123954056 389158680 /nfs/dbraw/zinc/15/86/80/389158680.db2.gz YNOMNFSAJOFNQG-MNOVXSKESA-N 2 2 270.377 0.247 20 0 CCADLP CCNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123954056 389158682 /nfs/dbraw/zinc/15/86/82/389158682.db2.gz YNOMNFSAJOFNQG-MNOVXSKESA-N 2 2 270.377 0.247 20 0 CCADLP CCNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123954056 389158684 /nfs/dbraw/zinc/15/86/84/389158684.db2.gz YNOMNFSAJOFNQG-MNOVXSKESA-N 2 2 270.377 0.247 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000340518871 389161805 /nfs/dbraw/zinc/16/18/05/389161805.db2.gz YKQVEYXIFNXJQA-KBUPBQIOSA-N 2 2 279.428 0.779 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000340518871 389161807 /nfs/dbraw/zinc/16/18/07/389161807.db2.gz YKQVEYXIFNXJQA-KBUPBQIOSA-N 2 2 279.428 0.779 20 0 CCADLP CO[C@H]1CC[N@H+](CCN2CCCC2=O)[C@H](C[NH3+])C1 ZINC000359041471 389165959 /nfs/dbraw/zinc/16/59/59/389165959.db2.gz IZVKQDUTHYMIMN-RYUDHWBXSA-N 2 2 255.362 0.047 20 0 CCADLP CO[C@H]1CC[N@@H+](CCN2CCCC2=O)[C@H](C[NH3+])C1 ZINC000359041471 389165961 /nfs/dbraw/zinc/16/59/61/389165961.db2.gz IZVKQDUTHYMIMN-RYUDHWBXSA-N 2 2 255.362 0.047 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCN1C(=O)NC2(CCCC2)C1=O ZINC000359096914 389166589 /nfs/dbraw/zinc/16/65/89/389166589.db2.gz CLHONJDTAWCHIQ-NEPJUHHUSA-N 2 2 294.399 0.391 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCN1C(=O)NC2(CCCC2)C1=O ZINC000359096914 389166593 /nfs/dbraw/zinc/16/65/93/389166593.db2.gz CLHONJDTAWCHIQ-NEPJUHHUSA-N 2 2 294.399 0.391 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000362862867 389242640 /nfs/dbraw/zinc/24/26/40/389242640.db2.gz LJLRUWIVMNNQLD-KFWWJZLASA-N 2 2 295.427 0.507 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000362862867 389242643 /nfs/dbraw/zinc/24/26/43/389242643.db2.gz LJLRUWIVMNNQLD-KFWWJZLASA-N 2 2 295.427 0.507 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000342699835 389243959 /nfs/dbraw/zinc/24/39/59/389243959.db2.gz VYMZTPUCECKOMY-QWRGUYRKSA-N 2 2 291.342 0.068 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000342699835 389243962 /nfs/dbraw/zinc/24/39/62/389243962.db2.gz VYMZTPUCECKOMY-QWRGUYRKSA-N 2 2 291.342 0.068 20 0 CCADLP CCC(CC)[C@H](C(=O)N1CC([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000134939553 389251022 /nfs/dbraw/zinc/25/10/22/389251022.db2.gz XKFRTMXANUYQDB-OAHLLOKOSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000249123239 389252659 /nfs/dbraw/zinc/25/26/59/389252659.db2.gz XDEMWIRZFHHSQE-BJDJZHNGSA-N 2 2 257.378 0.195 20 0 CCADLP O=C([C@@H]1CC[NH2+]CC1(F)F)N1CCn2cc[nH+]c2C1 ZINC000342766532 389252965 /nfs/dbraw/zinc/25/29/65/389252965.db2.gz VSZYOPPGNVTIGY-VIFPVBQESA-N 2 2 270.283 0.470 20 0 CCADLP COC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000135525000 389258599 /nfs/dbraw/zinc/25/85/99/389258599.db2.gz XMAINVDYIRLQFW-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP COC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000135525000 389258600 /nfs/dbraw/zinc/25/86/00/389258600.db2.gz XMAINVDYIRLQFW-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]CC2(C(N)=O)CCOCC2)[C@@H](C)C1 ZINC000343269913 389261929 /nfs/dbraw/zinc/26/19/29/389261929.db2.gz DHJBBPGPWZHKPE-RYUDHWBXSA-N 2 2 269.389 0.198 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]CC2(C(N)=O)CCOCC2)[C@@H](C)C1 ZINC000343269913 389261932 /nfs/dbraw/zinc/26/19/32/389261932.db2.gz DHJBBPGPWZHKPE-RYUDHWBXSA-N 2 2 269.389 0.198 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H](NC2CC[NH+](CC(=O)NC)CC2)C1 ZINC000343269279 389262255 /nfs/dbraw/zinc/26/22/55/389262255.db2.gz AUKZDOPXBCYAJZ-GXTWGEPZSA-N 2 2 282.432 0.127 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H](NC2CC[NH+](CC(=O)NC)CC2)C1 ZINC000343269279 389262257 /nfs/dbraw/zinc/26/22/57/389262257.db2.gz AUKZDOPXBCYAJZ-GXTWGEPZSA-N 2 2 282.432 0.127 20 0 CCADLP CC(C)(CNC(=O)[C@@]1(C)CCCC[NH2+]1)[NH+]1CCOCC1 ZINC000136194143 389264959 /nfs/dbraw/zinc/26/49/59/389264959.db2.gz ROJBMUGIVZLEJR-OAHLLOKOSA-N 2 2 283.416 0.746 20 0 CCADLP COC[C@@H](CC(C)C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000361352293 389213653 /nfs/dbraw/zinc/21/36/53/389213653.db2.gz PDBXUWADQYWDNW-ZIAGYGMSSA-N 2 2 257.422 0.883 20 0 CCADLP COC[C@@H](CC(C)C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000361352293 389213655 /nfs/dbraw/zinc/21/36/55/389213655.db2.gz PDBXUWADQYWDNW-ZIAGYGMSSA-N 2 2 257.422 0.883 20 0 CCADLP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000131991563 389219472 /nfs/dbraw/zinc/21/94/72/389219472.db2.gz FHAVBHJTOHMCQQ-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246148577 389224485 /nfs/dbraw/zinc/22/44/85/389224485.db2.gz LPRNLQNYRWEBOC-QWRGUYRKSA-N 2 2 270.377 0.104 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246148577 389224487 /nfs/dbraw/zinc/22/44/87/389224487.db2.gz LPRNLQNYRWEBOC-QWRGUYRKSA-N 2 2 270.377 0.104 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246148577 389224489 /nfs/dbraw/zinc/22/44/89/389224489.db2.gz LPRNLQNYRWEBOC-QWRGUYRKSA-N 2 2 270.377 0.104 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246148577 389224491 /nfs/dbraw/zinc/22/44/91/389224491.db2.gz LPRNLQNYRWEBOC-QWRGUYRKSA-N 2 2 270.377 0.104 20 0 CCADLP O=C(NCCC[NH+]1CCOCC1)[C@H]1CC[NH2+]CC1(F)F ZINC000342660859 389237017 /nfs/dbraw/zinc/23/70/17/389237017.db2.gz UYIZGAUEDCRILV-LLVKDONJSA-N 2 2 291.342 0.070 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCOC2)CC1 ZINC000342667680 389238210 /nfs/dbraw/zinc/23/82/10/389238210.db2.gz BTIWUMAMCBMLFI-ZDUSSCGKSA-N 2 2 270.373 0.783 20 0 CCADLP CC[C@H](COC)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000155352496 389318338 /nfs/dbraw/zinc/31/83/38/389318338.db2.gz MATMYCUFWMCHCQ-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP CC[C@H](COC)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000155352496 389318342 /nfs/dbraw/zinc/31/83/42/389318342.db2.gz MATMYCUFWMCHCQ-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP C[NH+](C)C/C=C/C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000367083417 389319112 /nfs/dbraw/zinc/31/91/12/389319112.db2.gz FZMWDVNKSPEZMP-XGACYXMMSA-N 2 2 274.368 0.672 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000346519088 389330940 /nfs/dbraw/zinc/33/09/40/389330940.db2.gz AHQRRURMIZCSSK-UONOGXRCSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+]1CCOCC1 ZINC000346519088 389330941 /nfs/dbraw/zinc/33/09/41/389330941.db2.gz AHQRRURMIZCSSK-UONOGXRCSA-N 2 2 283.416 0.554 20 0 CCADLP O=S1(=O)CC[C@@H]([N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)C1 ZINC000261592898 389273205 /nfs/dbraw/zinc/27/32/05/389273205.db2.gz YVIPOOLNSLHFQW-WCQYABFASA-N 2 2 272.414 0.638 20 0 CCADLP O=S1(=O)CC[C@@H]([N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)C1 ZINC000261592898 389273206 /nfs/dbraw/zinc/27/32/06/389273206.db2.gz YVIPOOLNSLHFQW-WCQYABFASA-N 2 2 272.414 0.638 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2cocn2)C1 ZINC000261768482 389276432 /nfs/dbraw/zinc/27/64/32/389276432.db2.gz DMPNNJCMARHQKK-LBPRGKRZSA-N 2 2 264.329 0.071 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2cocn2)C1 ZINC000261768482 389276434 /nfs/dbraw/zinc/27/64/34/389276434.db2.gz DMPNNJCMARHQKK-LBPRGKRZSA-N 2 2 264.329 0.071 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCN1CCOC(C)(C)C1 ZINC000344192725 389280118 /nfs/dbraw/zinc/28/01/18/389280118.db2.gz XLYLXLSSXFSYAK-QWHCGFSZSA-N 2 2 255.406 0.637 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCN1CCOC(C)(C)C1 ZINC000344192725 389280119 /nfs/dbraw/zinc/28/01/19/389280119.db2.gz XLYLXLSSXFSYAK-QWHCGFSZSA-N 2 2 255.406 0.637 20 0 CCADLP C[C@@H](C[NH3+])C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000262305905 389284636 /nfs/dbraw/zinc/28/46/36/389284636.db2.gz CGSCNXOIIQZWEL-DZGCQCFKSA-N 2 2 291.395 0.771 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCN1CCO[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000345025377 389287110 /nfs/dbraw/zinc/28/71/10/389287110.db2.gz ZCWODYWENJAPGO-QLFBSQMISA-N 2 2 283.416 0.112 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCN1CCO[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000345025377 389287113 /nfs/dbraw/zinc/28/71/13/389287113.db2.gz ZCWODYWENJAPGO-QLFBSQMISA-N 2 2 283.416 0.112 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000345025377 389287117 /nfs/dbraw/zinc/28/71/17/389287117.db2.gz ZCWODYWENJAPGO-QLFBSQMISA-N 2 2 283.416 0.112 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000345025377 389287119 /nfs/dbraw/zinc/28/71/19/389287119.db2.gz ZCWODYWENJAPGO-QLFBSQMISA-N 2 2 283.416 0.112 20 0 CCADLP C[C@@H]1[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CCC[N@@H+]1C ZINC000345294196 389299378 /nfs/dbraw/zinc/29/93/78/389299378.db2.gz BMGCCHADYHEWOL-ZYHUDNBSSA-N 2 2 280.372 0.949 20 0 CCADLP C[C@@H]1[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CCC[N@H+]1C ZINC000345294196 389299383 /nfs/dbraw/zinc/29/93/83/389299383.db2.gz BMGCCHADYHEWOL-ZYHUDNBSSA-N 2 2 280.372 0.949 20 0 CCADLP Cn1c[nH+]cc1CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000370226365 389405670 /nfs/dbraw/zinc/40/56/70/389405670.db2.gz AHOWQMDVXAIQCW-UONOGXRCSA-N 2 2 264.373 0.451 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C[C@@H]2CCC[NH+]2C)CCO1 ZINC000421005977 389345551 /nfs/dbraw/zinc/34/55/51/389345551.db2.gz VQXVWAAGUVCVGM-KGLIPLIRSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C[C@@H]2CCC[NH+]2C)CCO1 ZINC000421005977 389345554 /nfs/dbraw/zinc/34/55/54/389345554.db2.gz VQXVWAAGUVCVGM-KGLIPLIRSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@@H]1C[NH+](CCN(C)C[C@@H]2CCC[N@@H+]2C)CCO1 ZINC000421005977 389345555 /nfs/dbraw/zinc/34/55/55/389345555.db2.gz VQXVWAAGUVCVGM-KGLIPLIRSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@@H]1C[NH+](CCN(C)C[C@@H]2CCC[N@H+]2C)CCO1 ZINC000421005977 389345558 /nfs/dbraw/zinc/34/55/58/389345558.db2.gz VQXVWAAGUVCVGM-KGLIPLIRSA-N 2 2 255.406 0.733 20 0 CCADLP CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367725561 389352339 /nfs/dbraw/zinc/35/23/39/389352339.db2.gz LFJSRDPIBXRHFA-JHJVBQTASA-N 2 2 274.430 0.884 20 0 CCADLP CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367725561 389352341 /nfs/dbraw/zinc/35/23/41/389352341.db2.gz LFJSRDPIBXRHFA-JHJVBQTASA-N 2 2 274.430 0.884 20 0 CCADLP C[C@H](CCn1cccn1)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000158837995 389352903 /nfs/dbraw/zinc/35/29/03/389352903.db2.gz MITCNLAPDWVWKG-ZIAGYGMSSA-N 2 2 265.405 0.497 20 0 CCADLP C[C@H](CCn1cccn1)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000158837995 389352909 /nfs/dbraw/zinc/35/29/09/389352909.db2.gz MITCNLAPDWVWKG-ZIAGYGMSSA-N 2 2 265.405 0.497 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[N@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000347748962 389358468 /nfs/dbraw/zinc/35/84/68/389358468.db2.gz GDQCYQUEPHDIJN-NSHDSACASA-N 2 2 285.413 0.860 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[N@@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000347748962 389358475 /nfs/dbraw/zinc/35/84/75/389358475.db2.gz GDQCYQUEPHDIJN-NSHDSACASA-N 2 2 285.413 0.860 20 0 CCADLP CN(CC[N@@H+](C)CCn1cc[nH+]c1)C1CC[NH+](C)CC1 ZINC000162189048 389415696 /nfs/dbraw/zinc/41/56/96/389415696.db2.gz DVOCQWVWWWLJMK-UHFFFAOYSA-N 3 2 279.432 0.841 20 0 CCADLP COCCCNC(=O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000170804261 389462650 /nfs/dbraw/zinc/46/26/50/389462650.db2.gz SUNQCWXUISFMMV-UHFFFAOYSA-N 2 2 271.405 0.557 20 0 CCADLP COCCCNC(=O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000170804261 389462654 /nfs/dbraw/zinc/46/26/54/389462654.db2.gz SUNQCWXUISFMMV-UHFFFAOYSA-N 2 2 271.405 0.557 20 0 CCADLP C[C@H]1COCC[N@H+](C[C@H](O)C[NH+]2CCOC[C@@H](C)C2)C1 ZINC000373171816 389465638 /nfs/dbraw/zinc/46/56/38/389465638.db2.gz CFZQJOKTZZPHKS-FICVDOATSA-N 2 2 286.416 0.284 20 0 CCADLP C[C@H]1COCC[N@@H+](C[C@H](O)C[NH+]2CCOC[C@@H](C)C2)C1 ZINC000373171816 389465640 /nfs/dbraw/zinc/46/56/40/389465640.db2.gz CFZQJOKTZZPHKS-FICVDOATSA-N 2 2 286.416 0.284 20 0 CCADLP C[C@H]1COCC[NH+](C[C@H](O)C[N@@H+]2CCOC[C@@H](C)C2)C1 ZINC000373171816 389465644 /nfs/dbraw/zinc/46/56/44/389465644.db2.gz CFZQJOKTZZPHKS-FICVDOATSA-N 2 2 286.416 0.284 20 0 CCADLP C[C@H]1COCC[NH+](C[C@H](O)C[N@H+]2CCOC[C@@H](C)C2)C1 ZINC000373171816 389465647 /nfs/dbraw/zinc/46/56/47/389465647.db2.gz CFZQJOKTZZPHKS-FICVDOATSA-N 2 2 286.416 0.284 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1NCC[NH+](C(C)C)C(C)C ZINC000422761671 389469111 /nfs/dbraw/zinc/46/91/11/389469111.db2.gz RKRPPWPSXVOJTQ-KGLIPLIRSA-N 2 2 285.432 0.988 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000422768314 389470403 /nfs/dbraw/zinc/47/04/03/389470403.db2.gz NTFNNODOPQPZGW-OLZOCXBDSA-N 2 2 269.389 0.295 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000422768314 389470407 /nfs/dbraw/zinc/47/04/07/389470407.db2.gz NTFNNODOPQPZGW-OLZOCXBDSA-N 2 2 269.389 0.295 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC[NH2+]CC ZINC000422779642 389473468 /nfs/dbraw/zinc/47/34/68/389473468.db2.gz GDSDQPMFQQGGBA-GFCCVEGCSA-N 2 2 257.378 0.213 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC[NH2+]CC ZINC000422779642 389473472 /nfs/dbraw/zinc/47/34/72/389473472.db2.gz GDSDQPMFQQGGBA-GFCCVEGCSA-N 2 2 257.378 0.213 20 0 CCADLP COC(=O)[C@]1(C)CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000412076619 389475001 /nfs/dbraw/zinc/47/50/01/389475001.db2.gz SOWJSHNQQDDCPF-UKRRQHHQSA-N 2 2 284.400 0.717 20 0 CCADLP COC(=O)[C@]1(C)CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000412076619 389475005 /nfs/dbraw/zinc/47/50/05/389475005.db2.gz SOWJSHNQQDDCPF-UKRRQHHQSA-N 2 2 284.400 0.717 20 0 CCADLP COC(=O)[C@]1(C)CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000412076619 389475010 /nfs/dbraw/zinc/47/50/10/389475010.db2.gz SOWJSHNQQDDCPF-UKRRQHHQSA-N 2 2 284.400 0.717 20 0 CCADLP COC(=O)[C@]1(C)CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000412076619 389475012 /nfs/dbraw/zinc/47/50/12/389475012.db2.gz SOWJSHNQQDDCPF-UKRRQHHQSA-N 2 2 284.400 0.717 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000422794552 389476618 /nfs/dbraw/zinc/47/66/18/389476618.db2.gz YYAGDEHEFZPEIY-STQMWFEESA-N 2 2 269.389 0.356 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000422794552 389476621 /nfs/dbraw/zinc/47/66/21/389476621.db2.gz YYAGDEHEFZPEIY-STQMWFEESA-N 2 2 269.389 0.356 20 0 CCADLP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000422862449 389494293 /nfs/dbraw/zinc/49/42/93/389494293.db2.gz KGICAOSKWHIMRP-SOUVJXGZSA-N 3 2 287.448 0.700 20 0 CCADLP C(CN1CCCCC1)[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422806362 389479675 /nfs/dbraw/zinc/47/96/75/389479675.db2.gz IBVJXGKAHNFWPZ-HUUCEWRRSA-N 2 2 267.417 0.829 20 0 CCADLP CC[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C(=O)N1CCOCC1 ZINC000422846056 389489741 /nfs/dbraw/zinc/48/97/41/389489741.db2.gz DQNSGKJWUFXNFK-XQQFMLRXSA-N 2 2 269.389 0.354 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000422850854 389491575 /nfs/dbraw/zinc/49/15/75/389491575.db2.gz OHPSCGNDAMETEK-KBPBESRZSA-N 2 2 283.416 0.729 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000422850854 389491579 /nfs/dbraw/zinc/49/15/79/389491579.db2.gz OHPSCGNDAMETEK-KBPBESRZSA-N 2 2 283.416 0.729 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1NCC[NH+]1CCC(C)CC1 ZINC000422852752 389491619 /nfs/dbraw/zinc/49/16/19/389491619.db2.gz BFFFSBLNRMOOIO-KGLIPLIRSA-N 2 2 283.416 0.602 20 0 CCADLP CC[NH+]1CCN(CCC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000422852783 389492119 /nfs/dbraw/zinc/49/21/19/389492119.db2.gz BHLDZEGGGKCWCU-HUUCEWRRSA-N 3 2 268.449 0.744 20 0 CCADLP O=C(N[C@@H]1CC[NH2+]C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000333629365 389437554 /nfs/dbraw/zinc/43/75/54/389437554.db2.gz GHTSJIIQQWGLDY-GFCCVEGCSA-N 2 2 275.356 0.275 20 0 CCADLP O=C(N[C@@H]1CC[NH2+]C1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000333660450 389438377 /nfs/dbraw/zinc/43/83/77/389438377.db2.gz LMLSANQWDHVHFY-CQSZACIVSA-N 2 2 289.383 0.271 20 0 CCADLP O=C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)NC[C@H]1CCCO1 ZINC000333719191 389441570 /nfs/dbraw/zinc/44/15/70/389441570.db2.gz UGPBGZXQBYAZIZ-UKRRQHHQSA-N 2 2 281.400 0.357 20 0 CCADLP O=C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)NC[C@H]1CCCO1 ZINC000333719191 389441575 /nfs/dbraw/zinc/44/15/75/389441575.db2.gz UGPBGZXQBYAZIZ-UKRRQHHQSA-N 2 2 281.400 0.357 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@]1(C)CC[NH2+]C1)[NH+]1CCOCC1 ZINC000167688223 389446801 /nfs/dbraw/zinc/44/68/01/389446801.db2.gz ZWCDUQYLDDAPJA-OUCADQQQSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC(=O)N1CCCCC1 ZINC000422697534 389453094 /nfs/dbraw/zinc/45/30/94/389453094.db2.gz UYFNEVCEMZYCJS-CHWSQXEVSA-N 2 2 253.390 0.977 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC000422935490 389508031 /nfs/dbraw/zinc/50/80/31/389508031.db2.gz ANGQFSDAOJCGLE-YUMQZZPRSA-N 2 2 253.268 0.253 20 0 CCADLP O=C(NCC[N@H+]1CC=CCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000373758805 389513035 /nfs/dbraw/zinc/51/30/35/389513035.db2.gz PUXQLHUXDWCENX-CYBMUJFWSA-N 2 2 274.368 0.824 20 0 CCADLP O=C(NCC[N@@H+]1CC=CCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000373758805 389513039 /nfs/dbraw/zinc/51/30/39/389513039.db2.gz PUXQLHUXDWCENX-CYBMUJFWSA-N 2 2 274.368 0.824 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000422980000 389516162 /nfs/dbraw/zinc/51/61/62/389516162.db2.gz OHCMVXPFEXINSU-MELADBBJSA-N 3 2 257.422 0.795 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC000276506620 389516501 /nfs/dbraw/zinc/51/65/01/389516501.db2.gz ANCSMWCXLPXLPO-CHWSQXEVSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC000276506620 389516506 /nfs/dbraw/zinc/51/65/06/389516506.db2.gz ANCSMWCXLPXLPO-CHWSQXEVSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@H](CNC(=O)CCc1c[nH+]cn1C)[NH+]1CCOCC1 ZINC000276630801 389520389 /nfs/dbraw/zinc/52/03/89/389520389.db2.gz SPYSFBJLUSMYRW-GFCCVEGCSA-N 2 2 280.372 0.190 20 0 CCADLP CC[C@@H]1CN(CC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CCO1 ZINC000423079497 389530341 /nfs/dbraw/zinc/53/03/41/389530341.db2.gz AHJYLUPAKLWZJR-PMPSAXMXSA-N 2 2 297.443 0.454 20 0 CCADLP CCC[C@H](C)C(=O)NCC[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423138195 389541611 /nfs/dbraw/zinc/54/16/11/389541611.db2.gz XJVCOEPNWFJCEP-MELADBBJSA-N 2 2 285.432 0.895 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)NC[C@H]1CCCC[N@@H+]1CCO ZINC000423146413 389542968 /nfs/dbraw/zinc/54/29/68/389542968.db2.gz PDZJFTYKXUBVPO-RBSFLKMASA-N 2 2 285.432 0.190 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)NC[C@H]1CCCC[N@H+]1CCO ZINC000423146413 389542971 /nfs/dbraw/zinc/54/29/71/389542971.db2.gz PDZJFTYKXUBVPO-RBSFLKMASA-N 2 2 285.432 0.190 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H]1CCCCN1CCO ZINC000423146413 389542976 /nfs/dbraw/zinc/54/29/76/389542976.db2.gz PDZJFTYKXUBVPO-RBSFLKMASA-N 2 2 285.432 0.190 20 0 CCADLP CN(C)C(=O)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000335264950 389544199 /nfs/dbraw/zinc/54/41/99/389544199.db2.gz SLPSPJWWOYZTJR-LBPRGKRZSA-N 2 2 254.378 0.285 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000423157332 389545599 /nfs/dbraw/zinc/54/55/99/389545599.db2.gz MOXRTOJTAXTXSO-UTUOFQBUSA-N 2 2 277.434 0.434 20 0 CCADLP CN(C)S(=O)(=O)c1cccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])c1 ZINC000423160631 389547141 /nfs/dbraw/zinc/54/71/41/389547141.db2.gz ZYNKWHVEUPMTFI-KGLIPLIRSA-N 2 2 297.424 0.906 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCN2CC[NH2+]CC2)C[N@@H+]1C1CC1 ZINC000423207823 389553053 /nfs/dbraw/zinc/55/30/53/389553053.db2.gz SHGLIKWZPMTWOO-STQMWFEESA-N 3 2 252.406 0.106 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCN2CC[NH2+]CC2)C[N@H+]1C1CC1 ZINC000423207823 389553056 /nfs/dbraw/zinc/55/30/56/389553056.db2.gz SHGLIKWZPMTWOO-STQMWFEESA-N 3 2 252.406 0.106 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCC1([NH3+])CCCCCC1 ZINC000423204544 389553257 /nfs/dbraw/zinc/55/32/57/389553257.db2.gz UPXXKUGTFSNOFW-QWHCGFSZSA-N 2 2 283.416 0.921 20 0 CCADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CC1([NH3+])CCCCCC1 ZINC000423204544 389553260 /nfs/dbraw/zinc/55/32/60/389553260.db2.gz UPXXKUGTFSNOFW-QWHCGFSZSA-N 2 2 283.416 0.921 20 0 CCADLP CC[C@@H]1CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000176239913 389555122 /nfs/dbraw/zinc/55/51/22/389555122.db2.gz RBSLLVSDNGCIIA-CQSZACIVSA-N 2 2 297.443 0.945 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423306472 389562129 /nfs/dbraw/zinc/56/21/29/389562129.db2.gz UASQPZWBSBMYOP-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP COCC[NH2+]CC[NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000423334507 389567095 /nfs/dbraw/zinc/56/70/95/389567095.db2.gz PDEXZHXSJJZYTI-NSHDSACASA-N 2 2 293.367 0.904 20 0 CCADLP CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@H]1CCC[N@@H+](C)C1 ZINC000373582277 389497640 /nfs/dbraw/zinc/49/76/40/389497640.db2.gz MHDMXGYCRGMEES-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)[C@@H]1CCCC[NH2+]1 ZINC000422888571 389499628 /nfs/dbraw/zinc/49/96/28/389499628.db2.gz NIPKFNPLHYNGOJ-SOUVJXGZSA-N 3 2 296.459 0.837 20 0 CCADLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)[C@@H]1CCCC[NH2+]1 ZINC000422888571 389499630 /nfs/dbraw/zinc/49/96/30/389499630.db2.gz NIPKFNPLHYNGOJ-SOUVJXGZSA-N 3 2 296.459 0.837 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000422891378 389501541 /nfs/dbraw/zinc/50/15/41/389501541.db2.gz VFQMVBFYKCLKPE-BFHYXJOUSA-N 3 2 282.432 0.433 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000422891378 389501544 /nfs/dbraw/zinc/50/15/44/389501544.db2.gz VFQMVBFYKCLKPE-BFHYXJOUSA-N 3 2 282.432 0.433 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCC[N@H+](C)[C@@H](C)CC ZINC000422905401 389503409 /nfs/dbraw/zinc/50/34/09/389503409.db2.gz IHHLFOYSCAQAPB-RWMBFGLXSA-N 2 2 271.405 0.600 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCC[N@@H+](C)[C@@H](C)CC ZINC000422905401 389503414 /nfs/dbraw/zinc/50/34/14/389503414.db2.gz IHHLFOYSCAQAPB-RWMBFGLXSA-N 2 2 271.405 0.600 20 0 CCADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000422914702 389505057 /nfs/dbraw/zinc/50/50/57/389505057.db2.gz VONSIAWGXSFZTB-UONOGXRCSA-N 3 2 255.406 0.829 20 0 CCADLP CC(C)NC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000335798811 389610593 /nfs/dbraw/zinc/61/05/93/389610593.db2.gz VMSYVYSXGDWBEY-CQSZACIVSA-N 2 2 253.390 0.929 20 0 CCADLP CC(C)NC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000335798811 389610597 /nfs/dbraw/zinc/61/05/97/389610597.db2.gz VMSYVYSXGDWBEY-CQSZACIVSA-N 2 2 253.390 0.929 20 0 CCADLP CC(C)NC(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000335798811 389610601 /nfs/dbraw/zinc/61/06/01/389610601.db2.gz VMSYVYSXGDWBEY-CQSZACIVSA-N 2 2 253.390 0.929 20 0 CCADLP CC(C)NC(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000335798811 389610606 /nfs/dbraw/zinc/61/06/06/389610606.db2.gz VMSYVYSXGDWBEY-CQSZACIVSA-N 2 2 253.390 0.929 20 0 CCADLP CCc1ncc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cn1 ZINC000414452622 389618022 /nfs/dbraw/zinc/61/80/22/389618022.db2.gz AXNNAUMOOHKDIQ-AWEZNQCLSA-N 2 2 278.400 0.975 20 0 CCADLP CCc1ncc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cn1 ZINC000414452622 389618026 /nfs/dbraw/zinc/61/80/26/389618026.db2.gz AXNNAUMOOHKDIQ-AWEZNQCLSA-N 2 2 278.400 0.975 20 0 CCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCc1c[nH+]cn1C ZINC000336030199 389620899 /nfs/dbraw/zinc/62/08/99/389620899.db2.gz IJOAQBQHSMWPJW-CYBMUJFWSA-N 2 2 279.388 0.902 20 0 CCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCc1c[nH+]cn1C ZINC000336030199 389620900 /nfs/dbraw/zinc/62/09/00/389620900.db2.gz IJOAQBQHSMWPJW-CYBMUJFWSA-N 2 2 279.388 0.902 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])C[C@@H](C)O1 ZINC000424277871 389623387 /nfs/dbraw/zinc/62/33/87/389623387.db2.gz BDMPWAFPMOJDMJ-FDYHWXHSSA-N 2 2 269.389 0.482 20 0 CCADLP [NH3+]CCC[NH+]1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000414682880 389625696 /nfs/dbraw/zinc/62/56/96/389625696.db2.gz ZDSLBBWAPXHSKC-UHFFFAOYSA-N 2 2 295.358 0.698 20 0 CCADLP C[C@H]1CCC[C@@H](NC(=O)CN2CC[NH+](CCC[NH3+])CC2)C1 ZINC000414691310 389627626 /nfs/dbraw/zinc/62/76/26/389627626.db2.gz ITHAYFYSPKXVFB-LSDHHAIUSA-N 2 2 296.459 0.648 20 0 CCADLP CCOC(=O)Cn1nc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H]2C)c1C ZINC000414780712 389638368 /nfs/dbraw/zinc/63/83/68/389638368.db2.gz HBNJZGRASMOESY-GXTWGEPZSA-N 2 2 294.399 0.985 20 0 CCADLP CCOC(=O)Cn1nc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@@H]2C)c1C ZINC000414780712 389638371 /nfs/dbraw/zinc/63/83/71/389638371.db2.gz HBNJZGRASMOESY-GXTWGEPZSA-N 2 2 294.399 0.985 20 0 CCADLP C[NH2+]CC[NH2+]Cc1ccc(O[C@@H](C)C(=O)OC)cc1 ZINC000414823734 389639224 /nfs/dbraw/zinc/63/92/24/389639224.db2.gz IXOVIEBSPGPBHZ-NSHDSACASA-N 2 2 266.341 0.936 20 0 CCADLP CCOC(=O)Cn1nc(C)c(C[NH2+]C[C@H]2CCC[NH2+]2)c1C ZINC000414845478 389640254 /nfs/dbraw/zinc/64/02/54/389640254.db2.gz MARWBDZMZRFTKC-CYBMUJFWSA-N 2 2 294.399 0.905 20 0 CCADLP C[N@H+](CCC[NH+]1CCCC1)CC(=O)N1CCOCC1 ZINC000179156713 389641284 /nfs/dbraw/zinc/64/12/84/389641284.db2.gz MDNVYOAYAAEWHO-UHFFFAOYSA-N 2 2 269.389 0.263 20 0 CCADLP C[N@@H+](CCC[NH+]1CCCC1)CC(=O)N1CCOCC1 ZINC000179156713 389641285 /nfs/dbraw/zinc/64/12/85/389641285.db2.gz MDNVYOAYAAEWHO-UHFFFAOYSA-N 2 2 269.389 0.263 20 0 CCADLP COC(=O)COc1ccc(C[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000414879386 389643014 /nfs/dbraw/zinc/64/30/14/389643014.db2.gz IRAZKFGZIPGNHC-LBPRGKRZSA-N 2 2 264.325 0.690 20 0 CCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335549162 389574269 /nfs/dbraw/zinc/57/42/69/389574269.db2.gz RIPKEUUMJSPGOQ-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000423379305 389576555 /nfs/dbraw/zinc/57/65/55/389576555.db2.gz MYSBCTXUVRXMDH-QWHCGFSZSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000423379305 389576559 /nfs/dbraw/zinc/57/65/59/389576559.db2.gz MYSBCTXUVRXMDH-QWHCGFSZSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423430583 389585953 /nfs/dbraw/zinc/58/59/53/389585953.db2.gz LDBCQTMSRIBLCM-CYUUQNCZSA-N 3 2 267.417 0.731 20 0 CCADLP COC(=O)c1coc([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000423444316 389588385 /nfs/dbraw/zinc/58/83/85/389588385.db2.gz WOYHBMZGOBDFEO-QAHWYCSRSA-N 2 2 250.298 0.935 20 0 CCADLP COCC[NH2+]CCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000423484183 389593669 /nfs/dbraw/zinc/59/36/69/389593669.db2.gz UAWDJTKCGLSFJG-UHFFFAOYSA-N 2 2 289.339 0.233 20 0 CCADLP CC(=O)NC[C@H]1C[N@H+](CCCCn2cc[nH+]c2C)CCO1 ZINC000179442031 260049500 /nfs/dbraw/zinc/04/95/00/260049500.db2.gz LNZMIUFIJCZBNG-HNNXBMFYSA-N 2 2 294.399 0.809 20 0 CCADLP CC(=O)NC[C@H]1C[N@@H+](CCCCn2cc[nH+]c2C)CCO1 ZINC000179442031 260049502 /nfs/dbraw/zinc/04/95/02/260049502.db2.gz LNZMIUFIJCZBNG-HNNXBMFYSA-N 2 2 294.399 0.809 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000280060655 389596856 /nfs/dbraw/zinc/59/68/56/389596856.db2.gz WTEAQAQMWJLISM-ZDUSSCGKSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000280060655 389596858 /nfs/dbraw/zinc/59/68/58/389596858.db2.gz WTEAQAQMWJLISM-ZDUSSCGKSA-N 2 2 280.372 0.305 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000414043937 389597269 /nfs/dbraw/zinc/59/72/69/389597269.db2.gz RHESRXLIFVLIQT-UHFFFAOYSA-N 2 2 294.399 0.761 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000423514127 389597657 /nfs/dbraw/zinc/59/76/57/389597657.db2.gz DAYHPEDXKRMKEV-HOCLYGCPSA-N 2 2 297.443 0.993 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000423514127 389597660 /nfs/dbraw/zinc/59/76/60/389597660.db2.gz DAYHPEDXKRMKEV-HOCLYGCPSA-N 2 2 297.443 0.993 20 0 CCADLP CCC[NH+]1CCC([NH2+]C2(C(=O)NCCOC)CC2)CC1 ZINC000414217607 389607943 /nfs/dbraw/zinc/60/79/43/389607943.db2.gz YSPDDFGJBIOYMU-UHFFFAOYSA-N 2 2 283.416 0.746 20 0 CCADLP Cc1ccc([C@@H](CNC(=O)C[NH3+])[NH+]2CCOCC2)s1 ZINC000423762552 389608665 /nfs/dbraw/zinc/60/86/65/389608665.db2.gz SRDMNWMLLXJARP-LLVKDONJSA-N 2 2 283.397 0.505 20 0 CCADLP C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000428750479 389717399 /nfs/dbraw/zinc/71/73/99/389717399.db2.gz PWWVLSRLGOWXIB-CHWSQXEVSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1CCC[NH+]1CCOCC1 ZINC000351933096 389718064 /nfs/dbraw/zinc/71/80/64/389718064.db2.gz AAZJYZUQVCPBFR-KBPBESRZSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1CCC[NH+]1CCOCC1 ZINC000351933096 389718067 /nfs/dbraw/zinc/71/80/67/389718067.db2.gz AAZJYZUQVCPBFR-KBPBESRZSA-N 2 2 255.406 0.733 20 0 CCADLP CC(C)[C@H]1C[N@H+](C)CCN1CC[NH+]1CCO[C@@H](C)C1 ZINC000425487278 389650190 /nfs/dbraw/zinc/65/01/90/389650190.db2.gz VURPFBOHIDSEBC-LSDHHAIUSA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@H]1C[N@@H+](C)CCN1CC[NH+]1CCO[C@@H](C)C1 ZINC000425487278 389650194 /nfs/dbraw/zinc/65/01/94/389650194.db2.gz VURPFBOHIDSEBC-LSDHHAIUSA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@H]1C[NH+](C)CCN1CC[N@@H+]1CCO[C@@H](C)C1 ZINC000425487278 389650196 /nfs/dbraw/zinc/65/01/96/389650196.db2.gz VURPFBOHIDSEBC-LSDHHAIUSA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@H]1C[NH+](C)CCN1CC[N@H+]1CCO[C@@H](C)C1 ZINC000425487278 389650199 /nfs/dbraw/zinc/65/01/99/389650199.db2.gz VURPFBOHIDSEBC-LSDHHAIUSA-N 2 2 269.433 0.979 20 0 CCADLP C[NH+]1CCC([NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000414974153 389651136 /nfs/dbraw/zinc/65/11/36/389651136.db2.gz LAHPCZLOWLLBPC-LBPRGKRZSA-N 3 2 294.365 0.506 20 0 CCADLP CCOCC[N@H+](CC)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000179314395 389652290 /nfs/dbraw/zinc/65/22/90/389652290.db2.gz BFABTTYOMAAPLY-AWEZNQCLSA-N 2 2 285.432 0.897 20 0 CCADLP CCOCC[N@@H+](CC)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000179314395 389652295 /nfs/dbraw/zinc/65/22/95/389652295.db2.gz BFABTTYOMAAPLY-AWEZNQCLSA-N 2 2 285.432 0.897 20 0 CCADLP COC(=O)c1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)oc1C ZINC000415046931 389653075 /nfs/dbraw/zinc/65/30/75/389653075.db2.gz XZRLBOSZXACUDO-GDNZZTSVSA-N 2 2 250.298 0.682 20 0 CCADLP CCOC(=O)c1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)o1 ZINC000415034490 389653190 /nfs/dbraw/zinc/65/31/90/389653190.db2.gz JUTBFKBBWFZNAY-IAZYJMLFSA-N 2 2 250.298 0.764 20 0 CCADLP COc1cc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc2c1OCO2 ZINC000415048147 389654251 /nfs/dbraw/zinc/65/42/51/389654251.db2.gz WVHZBUAPEGCOIS-LBPRGKRZSA-N 2 2 294.351 0.892 20 0 CCADLP CC(C)[C@H]([NH2+]CCCn1cc[nH+]c1)C(=O)N1CCOCC1 ZINC000179674534 389661221 /nfs/dbraw/zinc/66/12/21/389661221.db2.gz RCCWQQGNSKAMLW-AWEZNQCLSA-N 2 2 294.399 0.746 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)CC1 ZINC000375357491 389669599 /nfs/dbraw/zinc/66/95/99/389669599.db2.gz VMFIVDYFOZNWDZ-KGLIPLIRSA-N 2 2 281.400 0.404 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)CC1 ZINC000375357491 389669600 /nfs/dbraw/zinc/66/96/00/389669600.db2.gz VMFIVDYFOZNWDZ-KGLIPLIRSA-N 2 2 281.400 0.404 20 0 CCADLP CC(C)COCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000375594343 389690206 /nfs/dbraw/zinc/69/02/06/389690206.db2.gz AOKOMJDCAZXOGY-HNNXBMFYSA-N 2 2 297.443 0.897 20 0 CCADLP CC(C)COCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000375594343 389690208 /nfs/dbraw/zinc/69/02/08/389690208.db2.gz AOKOMJDCAZXOGY-HNNXBMFYSA-N 2 2 297.443 0.897 20 0 CCADLP CNC(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000428302836 389691039 /nfs/dbraw/zinc/69/10/39/389691039.db2.gz NWRGBTMSVDOHNO-NSHDSACASA-N 2 2 250.346 0.421 20 0 CCADLP CNC(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000428302836 389691043 /nfs/dbraw/zinc/69/10/43/389691043.db2.gz NWRGBTMSVDOHNO-NSHDSACASA-N 2 2 250.346 0.421 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351862764 389702623 /nfs/dbraw/zinc/70/26/23/389702623.db2.gz QKCAJQMLUUMSIE-VXGBXAGGSA-N 2 2 262.419 0.869 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351862764 389702625 /nfs/dbraw/zinc/70/26/25/389702625.db2.gz QKCAJQMLUUMSIE-VXGBXAGGSA-N 2 2 262.419 0.869 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000351863729 389702962 /nfs/dbraw/zinc/70/29/62/389702962.db2.gz UTVDYMSJHDZMQM-MELADBBJSA-N 3 2 282.432 0.208 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000351863729 389702964 /nfs/dbraw/zinc/70/29/64/389702964.db2.gz UTVDYMSJHDZMQM-MELADBBJSA-N 3 2 282.432 0.208 20 0 CCADLP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cocn1 ZINC000428876195 389724690 /nfs/dbraw/zinc/72/46/90/389724690.db2.gz ZIAQEFNZUQGOMC-GFCCVEGCSA-N 2 2 252.362 0.790 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCN(c2cccnn2)CC1 ZINC000428566967 389706999 /nfs/dbraw/zinc/70/69/99/389706999.db2.gz QDUDBNAKCHTOFV-OCCSQVGLSA-N 2 2 275.400 0.985 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCN(c2cccnn2)CC1 ZINC000428566967 389707001 /nfs/dbraw/zinc/70/70/01/389707001.db2.gz QDUDBNAKCHTOFV-OCCSQVGLSA-N 2 2 275.400 0.985 20 0 CCADLP CC(C)([NH3+])CNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000429650007 389763034 /nfs/dbraw/zinc/76/30/34/389763034.db2.gz DLCLCAKUSROYLF-UHFFFAOYSA-N 2 2 291.395 0.986 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](COC)C1 ZINC000389060415 389770797 /nfs/dbraw/zinc/77/07/97/389770797.db2.gz IVZZNRIXEVPWGV-KBPBESRZSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](COC)C1 ZINC000389060415 389770798 /nfs/dbraw/zinc/77/07/98/389770798.db2.gz IVZZNRIXEVPWGV-KBPBESRZSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](COC)C1 ZINC000389060415 389770799 /nfs/dbraw/zinc/77/07/99/389770799.db2.gz IVZZNRIXEVPWGV-KBPBESRZSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](COC)C1 ZINC000389060415 389770800 /nfs/dbraw/zinc/77/08/00/389770800.db2.gz IVZZNRIXEVPWGV-KBPBESRZSA-N 2 2 274.405 0.284 20 0 CCADLP C[C@H]([NH3+])[C@H](C)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000416813242 389773081 /nfs/dbraw/zinc/77/30/81/389773081.db2.gz FNXNCERXZRLNPE-QWRGUYRKSA-N 2 2 272.393 0.132 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCN2CC=CCC2)n1C ZINC000392293866 389774527 /nfs/dbraw/zinc/77/45/27/389774527.db2.gz OPODLWWWLDMTLF-UHFFFAOYSA-N 2 2 263.389 0.838 20 0 CCADLP C[C@@H]1CCN(C(=O)NCCn2cc[nH+]c2)[C@@H](C[NH3+])C1 ZINC000416841453 389776133 /nfs/dbraw/zinc/77/61/33/389776133.db2.gz HGHVBVNZDSFYFJ-VXGBXAGGSA-N 2 2 265.361 0.652 20 0 CCADLP C[C@@]1(CNC(=O)NCCn2cc[nH+]c2)CCC[NH2+]C1 ZINC000416861120 389776866 /nfs/dbraw/zinc/77/68/66/389776866.db2.gz WOIPWGYXPGLCGL-CYBMUJFWSA-N 2 2 265.361 0.572 20 0 CCADLP C[C@@H]1C[C@H](C)[N@H+](CC(=O)NCC(F)(F)F)C[C@H]1C[NH3+] ZINC000397427702 389778330 /nfs/dbraw/zinc/77/83/30/389778330.db2.gz YOTUCYCSCKDPEV-KXUCPTDWSA-N 2 2 281.322 0.970 20 0 CCADLP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)NCC(F)(F)F)C[C@H]1C[NH3+] ZINC000397427702 389778334 /nfs/dbraw/zinc/77/83/34/389778334.db2.gz YOTUCYCSCKDPEV-KXUCPTDWSA-N 2 2 281.322 0.970 20 0 CCADLP CC(C)(C[NH3+])NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000416877972 389778715 /nfs/dbraw/zinc/77/87/15/389778715.db2.gz WZRUTOLZMGMXHD-UHFFFAOYSA-N 2 2 261.329 0.871 20 0 CCADLP CCN(CC)c1ccc(CNC(=O)NCC[NH3+])c[nH+]1 ZINC000416978229 389786825 /nfs/dbraw/zinc/78/68/25/389786825.db2.gz CMZYWDDRPMVXSL-UHFFFAOYSA-N 2 2 265.361 0.686 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000417003220 389788141 /nfs/dbraw/zinc/78/81/41/389788141.db2.gz BHCAACWPCKYVIZ-AAEUAGOBSA-N 2 2 291.399 0.945 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCCC[C@H]1C[NH3+] ZINC000417024889 389790985 /nfs/dbraw/zinc/79/09/85/389790985.db2.gz LDASKNGQERTRPX-OLZOCXBDSA-N 2 2 284.404 0.230 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000417026276 389790988 /nfs/dbraw/zinc/79/09/88/389790988.db2.gz YWPCBEOKEXGTNW-GFCCVEGCSA-N 2 2 277.372 0.684 20 0 CCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)NCC[NH+]1CCOCC1 ZINC000416436244 389743298 /nfs/dbraw/zinc/74/32/98/389743298.db2.gz IERGHYCJQLLABP-CYBMUJFWSA-N 2 2 284.404 0.102 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)NCCCn1cc[nH+]c1 ZINC000416440681 389743671 /nfs/dbraw/zinc/74/36/71/389743671.db2.gz SXGCZTVFTLSHKQ-LLVKDONJSA-N 2 2 253.350 0.570 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@H](C)[NH+]2CCSCC2)C1 ZINC000430433042 389801323 /nfs/dbraw/zinc/80/13/23/389801323.db2.gz SSNRHDZWEJTDRF-NSHDSACASA-N 2 2 271.430 0.633 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430559015 389807708 /nfs/dbraw/zinc/80/77/08/389807708.db2.gz WRJHTXPUHAKOMH-KGLIPLIRSA-N 2 2 285.432 0.979 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430559015 389807711 /nfs/dbraw/zinc/80/77/11/389807711.db2.gz WRJHTXPUHAKOMH-KGLIPLIRSA-N 2 2 285.432 0.979 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NCC2CCC2)C1 ZINC000430571017 389808566 /nfs/dbraw/zinc/80/85/66/389808566.db2.gz HLZSJUSCGCPNRT-YPMHNXCESA-N 2 2 253.390 0.962 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC000430571017 389808567 /nfs/dbraw/zinc/80/85/67/389808567.db2.gz HLZSJUSCGCPNRT-YPMHNXCESA-N 2 2 253.390 0.962 20 0 CCADLP C[N@H+](CCNS(=O)(=O)c1ccccc1)CC(C)(C)C[NH3+] ZINC000430574745 389809414 /nfs/dbraw/zinc/80/94/14/389809414.db2.gz OVFQQSFQWCMBTC-UHFFFAOYSA-N 2 2 299.440 0.882 20 0 CCADLP C[N@@H+](CCNS(=O)(=O)c1ccccc1)CC(C)(C)C[NH3+] ZINC000430574745 389809415 /nfs/dbraw/zinc/80/94/15/389809415.db2.gz OVFQQSFQWCMBTC-UHFFFAOYSA-N 2 2 299.440 0.882 20 0 CCADLP Cc1cc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)sn1 ZINC000404410546 389811103 /nfs/dbraw/zinc/81/11/03/389811103.db2.gz CFMBQTKJJJFFRO-NSHDSACASA-N 2 2 255.387 0.998 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC000430611782 389812676 /nfs/dbraw/zinc/81/26/76/389812676.db2.gz PMOAMJJDQALJIG-QWRGUYRKSA-N 2 2 282.388 0.295 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC000430611782 389812679 /nfs/dbraw/zinc/81/26/79/389812679.db2.gz PMOAMJJDQALJIG-QWRGUYRKSA-N 2 2 282.388 0.295 20 0 CCADLP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000417411180 389814138 /nfs/dbraw/zinc/81/41/38/389814138.db2.gz CSWRMFHPLDRLLB-STQMWFEESA-N 2 2 298.431 0.394 20 0 CCADLP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000417411180 389814139 /nfs/dbraw/zinc/81/41/39/389814139.db2.gz CSWRMFHPLDRLLB-STQMWFEESA-N 2 2 298.431 0.394 20 0 CCADLP Cn1ccc(N2CCC[C@H]([N@@H+]3CCC[C@H](C[NH3+])C3)C2=O)n1 ZINC000430642616 389815926 /nfs/dbraw/zinc/81/59/26/389815926.db2.gz VMZAWDITIZPPTJ-OLZOCXBDSA-N 2 2 291.399 0.586 20 0 CCADLP Cn1ccc(N2CCC[C@H]([N@H+]3CCC[C@H](C[NH3+])C3)C2=O)n1 ZINC000430642616 389815929 /nfs/dbraw/zinc/81/59/29/389815929.db2.gz VMZAWDITIZPPTJ-OLZOCXBDSA-N 2 2 291.399 0.586 20 0 CCADLP CN(CC(F)(F)F)C(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000430648547 389816359 /nfs/dbraw/zinc/81/63/59/389816359.db2.gz RFIXRFAPMRYAOM-UHFFFAOYSA-N 2 2 267.295 0.691 20 0 CCADLP CN(CC(F)(F)F)C(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000430648547 389816363 /nfs/dbraw/zinc/81/63/63/389816363.db2.gz RFIXRFAPMRYAOM-UHFFFAOYSA-N 2 2 267.295 0.691 20 0 CCADLP NC(=O)[C@@H](c1ccccc1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352494854 389819354 /nfs/dbraw/zinc/81/93/54/389819354.db2.gz GEVGIVQLKIHCCA-LSDHHAIUSA-N 2 2 288.395 0.193 20 0 CCADLP C[C@H](C[NH3+])N(C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000417509814 389823652 /nfs/dbraw/zinc/82/36/52/389823652.db2.gz RPGWQSDODIAMLS-LLVKDONJSA-N 2 2 272.393 0.086 20 0 CCADLP C[C@H](C[NH3+])N(C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000417509814 389823654 /nfs/dbraw/zinc/82/36/54/389823654.db2.gz RPGWQSDODIAMLS-LLVKDONJSA-N 2 2 272.393 0.086 20 0 CCADLP C[C@@H](NC(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000417520285 389826140 /nfs/dbraw/zinc/82/61/40/389826140.db2.gz NOGQBQJXLVQHBT-AAVRWANBSA-N 2 2 298.431 0.535 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000430878264 389830761 /nfs/dbraw/zinc/83/07/61/389830761.db2.gz HUJVRKRIPXALCF-GHMZBOCLSA-N 2 2 257.378 0.197 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000430878264 389830763 /nfs/dbraw/zinc/83/07/63/389830763.db2.gz HUJVRKRIPXALCF-GHMZBOCLSA-N 2 2 257.378 0.197 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]CCN2CC[NH+](C)C(C)(C)C2)[C@@H](C)C1 ZINC000441353302 389831665 /nfs/dbraw/zinc/83/16/65/389831665.db2.gz ZCBMDDRSISAUCA-GJZGRUSLSA-N 3 2 282.476 0.942 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]CCN2CC[NH+](C)C(C)(C)C2)[C@@H](C)C1 ZINC000441353302 389831667 /nfs/dbraw/zinc/83/16/67/389831667.db2.gz ZCBMDDRSISAUCA-GJZGRUSLSA-N 3 2 282.476 0.942 20 0 CCADLP CC[NH+]1C[C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)[C@@H](C)C1 ZINC000441353302 389831671 /nfs/dbraw/zinc/83/16/71/389831671.db2.gz ZCBMDDRSISAUCA-GJZGRUSLSA-N 3 2 282.476 0.942 20 0 CCADLP CC[NH+]1C[C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)[C@@H](C)C1 ZINC000441353302 389831674 /nfs/dbraw/zinc/83/16/74/389831674.db2.gz ZCBMDDRSISAUCA-GJZGRUSLSA-N 3 2 282.476 0.942 20 0 CCADLP CS(=O)(=O)c1cccc(OCC[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000430920196 389834861 /nfs/dbraw/zinc/83/48/61/389834861.db2.gz UJCSWYPHJAXUKS-GFCCVEGCSA-N 2 2 298.408 0.750 20 0 CCADLP CS(=O)(=O)c1cccc(OCC[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000430920196 389834863 /nfs/dbraw/zinc/83/48/63/389834863.db2.gz UJCSWYPHJAXUKS-GFCCVEGCSA-N 2 2 298.408 0.750 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000430932573 389836450 /nfs/dbraw/zinc/83/64/50/389836450.db2.gz FKFMYGTZXGTHKA-NWDGAFQWSA-N 2 2 284.404 0.398 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000430932573 389836452 /nfs/dbraw/zinc/83/64/52/389836452.db2.gz FKFMYGTZXGTHKA-NWDGAFQWSA-N 2 2 284.404 0.398 20 0 CCADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000430950128 389838908 /nfs/dbraw/zinc/83/89/08/389838908.db2.gz GEALINUKHUDNNF-NSHDSACASA-N 2 2 291.351 0.677 20 0 CCADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000430950128 389838913 /nfs/dbraw/zinc/83/89/13/389838913.db2.gz GEALINUKHUDNNF-NSHDSACASA-N 2 2 291.351 0.677 20 0 CCADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cn2)C1 ZINC000430967567 389842048 /nfs/dbraw/zinc/84/20/48/389842048.db2.gz TYSZEYDXPGSYSP-VIFPVBQESA-N 2 2 268.748 0.954 20 0 CCADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cn2)C1 ZINC000430967567 389842050 /nfs/dbraw/zinc/84/20/50/389842050.db2.gz TYSZEYDXPGSYSP-VIFPVBQESA-N 2 2 268.748 0.954 20 0 CCADLP Cn1c2cc(F)ccc2[nH+]c1NCCN1CC[NH+](C)CC1 ZINC000431014780 389845006 /nfs/dbraw/zinc/84/50/06/389845006.db2.gz PBAOQAPHMFGQGW-UHFFFAOYSA-N 2 2 291.374 0.794 20 0 CCADLP COc1ccccc1[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000431032834 389846772 /nfs/dbraw/zinc/84/67/72/389846772.db2.gz MELJGYQNWZBDCQ-RISCZKNCSA-N 2 2 277.368 0.905 20 0 CCADLP COc1ccccc1[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1C ZINC000431032834 389846774 /nfs/dbraw/zinc/84/67/74/389846774.db2.gz MELJGYQNWZBDCQ-RISCZKNCSA-N 2 2 277.368 0.905 20 0 CCADLP C[C@H](C(=O)N1CCC[C@H](CC[NH3+])C1)[NH+]1CCOCC1 ZINC000442620412 389850820 /nfs/dbraw/zinc/85/08/20/389850820.db2.gz JPPCJKMNMYNNJE-CHWSQXEVSA-N 2 2 269.389 0.295 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)C1 ZINC000353570377 389853230 /nfs/dbraw/zinc/85/32/30/389853230.db2.gz SIZJORIFARPETF-YTBGYOSVSA-N 2 2 295.427 0.742 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCC(=O)N[C@@H]2[C@H]2CCCO2)C1 ZINC000353570377 389853231 /nfs/dbraw/zinc/85/32/31/389853231.db2.gz SIZJORIFARPETF-YTBGYOSVSA-N 2 2 295.427 0.742 20 0 CCADLP COCC[N@H+](C)CCC[NH2+]Cc1cc(C)nn1C ZINC000417868325 389858664 /nfs/dbraw/zinc/85/86/64/389858664.db2.gz KAHUXNWRCIUWRB-UHFFFAOYSA-N 2 2 254.378 0.786 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+]Cc1cc(C)nn1C ZINC000417868325 389858665 /nfs/dbraw/zinc/85/86/65/389858665.db2.gz KAHUXNWRCIUWRB-UHFFFAOYSA-N 2 2 254.378 0.786 20 0 CCADLP CC[C@@H](NC(=O)CN1CC[NH+](CC)CC1)c1[nH]cc[nH+]1 ZINC000442804307 389863902 /nfs/dbraw/zinc/86/39/02/389863902.db2.gz WHGXSJGZGWCRJT-GFCCVEGCSA-N 2 2 279.388 0.615 20 0 CCADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000431779961 389865941 /nfs/dbraw/zinc/86/59/41/389865941.db2.gz CLEGAHZUZQTEFX-CQSZACIVSA-N 2 2 285.432 0.944 20 0 CCADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2cnnn2C)CCCO1 ZINC000432360530 389879057 /nfs/dbraw/zinc/87/90/57/389879057.db2.gz WGHBMCRISPBFRQ-LBPRGKRZSA-N 2 2 267.377 0.406 20 0 CCADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cnnn2C)CCCO1 ZINC000432360530 389879058 /nfs/dbraw/zinc/87/90/58/389879058.db2.gz WGHBMCRISPBFRQ-LBPRGKRZSA-N 2 2 267.377 0.406 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418568327 389879300 /nfs/dbraw/zinc/87/93/00/389879300.db2.gz BIYVPQWULVQVPD-RDBSUJKOSA-N 2 2 298.431 0.618 20 0 CCADLP CCCCOC[C@H](O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000432758232 389887580 /nfs/dbraw/zinc/88/75/80/389887580.db2.gz MRYHWAXLTQJAFL-OAHLLOKOSA-N 2 2 288.432 0.553 20 0 CCADLP CCCCOC[C@H](O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000432758232 389887581 /nfs/dbraw/zinc/88/75/81/389887581.db2.gz MRYHWAXLTQJAFL-OAHLLOKOSA-N 2 2 288.432 0.553 20 0 CCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444183125 389896040 /nfs/dbraw/zinc/89/60/40/389896040.db2.gz MUGQYNGMCOJUDD-BBRMVZONSA-N 2 2 288.395 0.878 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433168981 389903196 /nfs/dbraw/zinc/90/31/96/389903196.db2.gz PEYAMNPWVNUMPU-UHFFFAOYSA-N 3 2 276.384 0.954 20 0 CCADLP C/C=C\C[C@H](CO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000419691971 389906676 /nfs/dbraw/zinc/90/66/76/389906676.db2.gz XMFFGPROQZOKBV-ISALQUGTSA-N 2 2 252.362 0.903 20 0 CCADLP CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000419691422 389906798 /nfs/dbraw/zinc/90/67/98/389906798.db2.gz WHWRDJXRPMGMJP-LLVKDONJSA-N 2 2 295.387 0.022 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)NCc2[nH+]ccn2C)n1C ZINC000435502833 389957821 /nfs/dbraw/zinc/95/78/21/389957821.db2.gz SYIOIYRONJKYRU-UHFFFAOYSA-N 2 2 291.359 0.219 20 0 CCADLP CCN(C1CC[NH+](CCC[NH2+]C)CC1)S(C)(=O)=O ZINC000435883702 389965428 /nfs/dbraw/zinc/96/54/28/389965428.db2.gz MKVQLQSBYHSHOW-UHFFFAOYSA-N 2 2 277.434 0.342 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCc1nnnn1-c1ccccc1 ZINC000433491844 389916267 /nfs/dbraw/zinc/91/62/67/389916267.db2.gz BOQZJPXKTHUJDR-AWEZNQCLSA-N 2 2 286.383 0.889 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCc1nnnn1-c1ccccc1 ZINC000433491844 389916269 /nfs/dbraw/zinc/91/62/69/389916269.db2.gz BOQZJPXKTHUJDR-AWEZNQCLSA-N 2 2 286.383 0.889 20 0 CCADLP CC[N@H+](CC(=O)NCC1([NH+]2CCOCC2)CC1)C1CC1 ZINC000433737125 389918040 /nfs/dbraw/zinc/91/80/40/389918040.db2.gz KTKLQCIVFLWRKJ-UHFFFAOYSA-N 2 2 281.400 0.452 20 0 CCADLP CC[N@@H+](CC(=O)NCC1([NH+]2CCOCC2)CC1)C1CC1 ZINC000433737125 389918042 /nfs/dbraw/zinc/91/80/42/389918042.db2.gz KTKLQCIVFLWRKJ-UHFFFAOYSA-N 2 2 281.400 0.452 20 0 CCADLP CC(C)[C@H](C(=O)NCC1([NH+]2CCOCC2)CC1)[NH+](C)C ZINC000434035905 389923390 /nfs/dbraw/zinc/92/33/90/389923390.db2.gz KAIGVOFIHXTFAO-CYBMUJFWSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC1([NH+](C)C)CCC1 ZINC000446136346 389931465 /nfs/dbraw/zinc/93/14/65/389931465.db2.gz JPWAQSWTYQFRMV-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000446419495 389935631 /nfs/dbraw/zinc/93/56/31/389935631.db2.gz WKWWYKNYHDCUES-FRRDWIJNSA-N 2 2 294.374 0.901 20 0 CCADLP CCOCC[C@@H](O)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000434634002 389939473 /nfs/dbraw/zinc/93/94/73/389939473.db2.gz OFCDLQNTQLGPEJ-CYBMUJFWSA-N 2 2 282.388 0.315 20 0 CCADLP C[C@@H]([NH3+])CCC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000434680753 389941238 /nfs/dbraw/zinc/94/12/38/389941238.db2.gz KRDXTTRCNFGHDP-LLVKDONJSA-N 2 2 265.361 0.181 20 0 CCADLP OC[C@@H]1CCCCN1c1cc(N2CC[NH2+]CC2)nc[nH+]1 ZINC000420116374 389954783 /nfs/dbraw/zinc/95/47/83/389954783.db2.gz GENVEASHVBERCA-LBPRGKRZSA-N 2 2 277.372 0.237 20 0 CCADLP C[N@H+](CC(N)=O)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420898753 390037138 /nfs/dbraw/zinc/03/71/38/390037138.db2.gz DLBCLIBLFNNHMR-UHFFFAOYSA-N 2 2 277.368 0.436 20 0 CCADLP C[N@@H+](CC(N)=O)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420898753 390037141 /nfs/dbraw/zinc/03/71/41/390037141.db2.gz DLBCLIBLFNNHMR-UHFFFAOYSA-N 2 2 277.368 0.436 20 0 CCADLP O[C@@H]1C[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1O ZINC000420924453 390038204 /nfs/dbraw/zinc/03/82/04/390038204.db2.gz STHJNJJXJLQJQE-HZPDHXFCSA-N 2 2 292.379 0.056 20 0 CCADLP CC[NH+](CC)CCCNC(=O)NCCc1cn(C)c[nH+]1 ZINC000457434485 390043757 /nfs/dbraw/zinc/04/37/57/390043757.db2.gz OCKXKLQETONUNO-UHFFFAOYSA-N 2 2 281.404 0.994 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420295812 389979399 /nfs/dbraw/zinc/97/93/99/389979399.db2.gz WCGBGNRBOHEEBC-HJWJTTGWSA-N 3 2 291.439 0.977 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420295812 389979402 /nfs/dbraw/zinc/97/94/02/389979402.db2.gz WCGBGNRBOHEEBC-HJWJTTGWSA-N 3 2 291.439 0.977 20 0 CCADLP CC(C)n1nnnc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000420307873 389981444 /nfs/dbraw/zinc/98/14/44/389981444.db2.gz NCGQEJVUBAIIHG-SRVKXCTJSA-N 2 2 264.377 0.813 20 0 CCADLP CC(C)n1nnnc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000420307873 389981445 /nfs/dbraw/zinc/98/14/45/389981445.db2.gz NCGQEJVUBAIIHG-SRVKXCTJSA-N 2 2 264.377 0.813 20 0 CCADLP COC(=O)c1ccc(NC(=O)C[N@H+](C)C2CC([NH3+])C2)cc1 ZINC000420330024 389984230 /nfs/dbraw/zinc/98/42/30/389984230.db2.gz KZPRXYFHYWQNJP-UHFFFAOYSA-N 2 2 291.351 0.833 20 0 CCADLP COC(=O)c1ccc(NC(=O)C[N@@H+](C)C2CC([NH3+])C2)cc1 ZINC000420330024 389984233 /nfs/dbraw/zinc/98/42/33/389984233.db2.gz KZPRXYFHYWQNJP-UHFFFAOYSA-N 2 2 291.351 0.833 20 0 CCADLP CCCCCNC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000420337190 389985649 /nfs/dbraw/zinc/98/56/49/389985649.db2.gz MXBTXIHMVBKQGU-OLZOCXBDSA-N 2 2 253.390 0.977 20 0 CCADLP CCCCCNC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000420337190 389985652 /nfs/dbraw/zinc/98/56/52/389985652.db2.gz MXBTXIHMVBKQGU-OLZOCXBDSA-N 2 2 253.390 0.977 20 0 CCADLP [NH3+]CCOCC[NH+]1CCN(C(=O)c2ccccc2O)CC1 ZINC000436937295 389987995 /nfs/dbraw/zinc/98/79/95/389987995.db2.gz FFKOCTPUBQOEOJ-UHFFFAOYSA-N 2 2 293.367 0.125 20 0 CCADLP Cc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@H](O)C[NH3+])cc1F ZINC000420355002 389990196 /nfs/dbraw/zinc/99/01/96/389990196.db2.gz PFJXDFWVLGOGBR-CMPLNLGQSA-N 2 2 283.347 0.713 20 0 CCADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@H](O)C[NH3+])cc1F ZINC000420355002 389990198 /nfs/dbraw/zinc/99/01/98/389990198.db2.gz PFJXDFWVLGOGBR-CMPLNLGQSA-N 2 2 283.347 0.713 20 0 CCADLP C[N@H+](C[C@H](O)C[NH3+])[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000420356530 389990902 /nfs/dbraw/zinc/99/09/02/389990902.db2.gz QTZQMNXOGMBCSF-ZWNOBZJWSA-N 2 2 297.786 0.697 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH3+])[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000420356530 389990904 /nfs/dbraw/zinc/99/09/04/389990904.db2.gz QTZQMNXOGMBCSF-ZWNOBZJWSA-N 2 2 297.786 0.697 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH3+])[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000420356526 389991052 /nfs/dbraw/zinc/99/10/52/389991052.db2.gz QTZQMNXOGMBCSF-GXFFZTMASA-N 2 2 297.786 0.697 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH3+])[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000420356526 389991053 /nfs/dbraw/zinc/99/10/53/389991053.db2.gz QTZQMNXOGMBCSF-GXFFZTMASA-N 2 2 297.786 0.697 20 0 CCADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000420364526 389992505 /nfs/dbraw/zinc/99/25/05/389992505.db2.gz PDJYPFNLNTVHPI-ZDUSSCGKSA-N 2 2 299.440 0.928 20 0 CCADLP COC(=O)COC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000449129817 389992980 /nfs/dbraw/zinc/99/29/80/389992980.db2.gz DPQHJQSORWERHV-WDEREUQCSA-N 2 2 256.346 0.391 20 0 CCADLP COC(=O)COC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000449129817 389992981 /nfs/dbraw/zinc/99/29/81/389992981.db2.gz DPQHJQSORWERHV-WDEREUQCSA-N 2 2 256.346 0.391 20 0 CCADLP CN(C)c1ncc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cn1 ZINC000449389926 389993351 /nfs/dbraw/zinc/99/33/51/389993351.db2.gz FCPXAXGAKIGENG-AWEZNQCLSA-N 2 2 293.415 0.479 20 0 CCADLP CN(C)c1ncc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cn1 ZINC000449389926 389993354 /nfs/dbraw/zinc/99/33/54/389993354.db2.gz FCPXAXGAKIGENG-AWEZNQCLSA-N 2 2 293.415 0.479 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000449443209 389994112 /nfs/dbraw/zinc/99/41/12/389994112.db2.gz QFYGLGUMLSNYOH-UTUOFQBUSA-N 2 2 277.434 0.244 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000449443209 389994113 /nfs/dbraw/zinc/99/41/13/389994113.db2.gz QFYGLGUMLSNYOH-UTUOFQBUSA-N 2 2 277.434 0.244 20 0 CCADLP O=C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)NCC1CC1 ZINC000420380217 389994729 /nfs/dbraw/zinc/99/47/29/389994729.db2.gz RJIOKRCMRZBVAG-CQSZACIVSA-N 2 2 251.374 0.588 20 0 CCADLP O=C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)NCC1CC1 ZINC000420380217 389994731 /nfs/dbraw/zinc/99/47/31/389994731.db2.gz RJIOKRCMRZBVAG-CQSZACIVSA-N 2 2 251.374 0.588 20 0 CCADLP C[NH2+]CCC[N@H+](C)CC(=O)NCc1cccc(COC)c1 ZINC000420389589 389995885 /nfs/dbraw/zinc/99/58/85/389995885.db2.gz ONBUJYWDFACECQ-UHFFFAOYSA-N 2 2 293.411 0.991 20 0 CCADLP C[NH2+]CCC[N@@H+](C)CC(=O)NCc1cccc(COC)c1 ZINC000420389589 389995887 /nfs/dbraw/zinc/99/58/87/389995887.db2.gz ONBUJYWDFACECQ-UHFFFAOYSA-N 2 2 293.411 0.991 20 0 CCADLP CCCCCNC(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420392107 389996158 /nfs/dbraw/zinc/99/61/58/389996158.db2.gz PHDZKRNLYUIRBA-LBPRGKRZSA-N 2 2 257.378 0.342 20 0 CCADLP CCCCCNC(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420392107 389996160 /nfs/dbraw/zinc/99/61/60/389996160.db2.gz PHDZKRNLYUIRBA-LBPRGKRZSA-N 2 2 257.378 0.342 20 0 CCADLP C[NH2+]CCC[N@H+](C)CCNS(=O)(=O)c1ccccc1 ZINC000420390901 389996381 /nfs/dbraw/zinc/99/63/81/389996381.db2.gz RPZFSBHRTOCVNN-UHFFFAOYSA-N 2 2 285.413 0.506 20 0 CCADLP C[NH2+]CCC[N@@H+](C)CCNS(=O)(=O)c1ccccc1 ZINC000420390901 389996383 /nfs/dbraw/zinc/99/63/83/389996383.db2.gz RPZFSBHRTOCVNN-UHFFFAOYSA-N 2 2 285.413 0.506 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457861586 390050820 /nfs/dbraw/zinc/05/08/20/390050820.db2.gz PRLNGOHSBRJNSQ-CYBMUJFWSA-N 2 2 264.373 0.953 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457861586 390050821 /nfs/dbraw/zinc/05/08/21/390050821.db2.gz PRLNGOHSBRJNSQ-CYBMUJFWSA-N 2 2 264.373 0.953 20 0 CCADLP C[NH+](C)CCn1ccc(=NC(=O)C[N@@H+]2CCC(C)(C)C2)[nH]1 ZINC000579491185 390180658 /nfs/dbraw/zinc/18/06/58/390180658.db2.gz UBSPZOIBFTYVFP-UHFFFAOYSA-N 2 2 293.415 0.537 20 0 CCADLP C[NH+](C)CCn1ccc(=NC(=O)C[N@H+]2CCC(C)(C)C2)[nH]1 ZINC000579491185 390180660 /nfs/dbraw/zinc/18/06/60/390180660.db2.gz UBSPZOIBFTYVFP-UHFFFAOYSA-N 2 2 293.415 0.537 20 0 CCADLP Cc1ccc(/C=C/C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])nc1 ZINC000493229196 390121252 /nfs/dbraw/zinc/12/12/52/390121252.db2.gz YWZNGWYLQLMPJK-GJBLVYBDSA-N 2 2 274.368 0.505 20 0 CCADLP Cc1ccc(/C=C/C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])nc1 ZINC000493229196 390121253 /nfs/dbraw/zinc/12/12/53/390121253.db2.gz YWZNGWYLQLMPJK-GJBLVYBDSA-N 2 2 274.368 0.505 20 0 CCADLP Cn1cc[nH+]c1N1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493358916 390123933 /nfs/dbraw/zinc/12/39/33/390123933.db2.gz ACTOWCLHJCMTTN-NSCUHMNNSA-N 2 2 286.339 0.505 20 0 CCADLP COCc1cccc(CNC(=O)C[N@H+](C)CCC[NH3+])c1 ZINC000647848328 390191447 /nfs/dbraw/zinc/19/14/47/390191447.db2.gz MSYVRXRGZCMQPH-UHFFFAOYSA-N 2 2 279.384 0.730 20 0 CCADLP COCc1cccc(CNC(=O)C[N@@H+](C)CCC[NH3+])c1 ZINC000647848328 390191449 /nfs/dbraw/zinc/19/14/49/390191449.db2.gz MSYVRXRGZCMQPH-UHFFFAOYSA-N 2 2 279.384 0.730 20 0 CCADLP Cc1cc(C)n([C@@H](C)CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])n1 ZINC000579010449 390135550 /nfs/dbraw/zinc/13/55/50/390135550.db2.gz PSERTDGJGDHHJT-KBPBESRZSA-N 2 2 293.415 0.552 20 0 CCADLP Cc1cc(C)n([C@@H](C)CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])n1 ZINC000579010449 390135552 /nfs/dbraw/zinc/13/55/52/390135552.db2.gz PSERTDGJGDHHJT-KBPBESRZSA-N 2 2 293.415 0.552 20 0 CCADLP C[C@H](C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1)CS(C)(=O)=O ZINC000535315496 390142714 /nfs/dbraw/zinc/14/27/14/390142714.db2.gz XUODBWDRAYFKTB-NEPJUHHUSA-N 2 2 285.413 0.890 20 0 CCADLP C[C@H](C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1)CS(C)(=O)=O ZINC000535315496 390142717 /nfs/dbraw/zinc/14/27/17/390142717.db2.gz XUODBWDRAYFKTB-NEPJUHHUSA-N 2 2 285.413 0.890 20 0 CCADLP C[C@@H]1CC[N@@H+]([C@@H]2CC(=O)NC2=O)C[C@@H]1n1cc[nH+]c1 ZINC000579123386 390144504 /nfs/dbraw/zinc/14/45/04/390144504.db2.gz MTNDVCJAZOJJDD-MXWKQRLJSA-N 2 2 262.313 0.181 20 0 CCADLP C[C@@H]1CC[N@H+]([C@@H]2CC(=O)NC2=O)C[C@@H]1n1cc[nH+]c1 ZINC000579123386 390144506 /nfs/dbraw/zinc/14/45/06/390144506.db2.gz MTNDVCJAZOJJDD-MXWKQRLJSA-N 2 2 262.313 0.181 20 0 CCADLP C[C@@H]1CC[N@@H+]([C@H]2CC(=O)NC2=O)C[C@H]1n1cc[nH+]c1 ZINC000579123388 390144520 /nfs/dbraw/zinc/14/45/20/390144520.db2.gz MTNDVCJAZOJJDD-OUAUKWLOSA-N 2 2 262.313 0.181 20 0 CCADLP C[C@@H]1CC[N@H+]([C@H]2CC(=O)NC2=O)C[C@H]1n1cc[nH+]c1 ZINC000579123388 390144522 /nfs/dbraw/zinc/14/45/22/390144522.db2.gz MTNDVCJAZOJJDD-OUAUKWLOSA-N 2 2 262.313 0.181 20 0 CCADLP CCS(=O)(=O)NCCC[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000579129307 390145499 /nfs/dbraw/zinc/14/54/99/390145499.db2.gz UYXAFKDYDQHFHJ-UHFFFAOYSA-N 2 2 289.445 0.519 20 0 CCADLP CCS(=O)(=O)NCCC[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000579129307 390145503 /nfs/dbraw/zinc/14/55/03/390145503.db2.gz UYXAFKDYDQHFHJ-UHFFFAOYSA-N 2 2 289.445 0.519 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)Cc2c[nH+]cn2C)CCO1 ZINC000579159365 390147951 /nfs/dbraw/zinc/14/79/51/390147951.db2.gz UMMHERUQWXVBIH-CYBMUJFWSA-N 2 2 280.372 0.190 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C[C@@H](O)C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000579224321 390152328 /nfs/dbraw/zinc/15/23/28/390152328.db2.gz AXEFFXAVYKIIST-QXSJWSMHSA-N 2 2 299.459 0.483 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C[C@@H](O)C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000579224321 390152331 /nfs/dbraw/zinc/15/23/31/390152331.db2.gz AXEFFXAVYKIIST-QXSJWSMHSA-N 2 2 299.459 0.483 20 0 CCADLP CC[C@@H]1C[NH+](C)CCN1C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000579224321 390152335 /nfs/dbraw/zinc/15/23/35/390152335.db2.gz AXEFFXAVYKIIST-QXSJWSMHSA-N 2 2 299.459 0.483 20 0 CCADLP CC[C@@H]1C[NH+](C)CCN1C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000579224321 390152337 /nfs/dbraw/zinc/15/23/37/390152337.db2.gz AXEFFXAVYKIIST-QXSJWSMHSA-N 2 2 299.459 0.483 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](CO)c1ccccc1OC ZINC000579370726 390167884 /nfs/dbraw/zinc/16/78/84/390167884.db2.gz QFBHAEBQCZCGMS-TZMCWYRMSA-N 2 2 282.384 0.631 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](CO)c1ccccc1OC ZINC000579370726 390167886 /nfs/dbraw/zinc/16/78/86/390167886.db2.gz QFBHAEBQCZCGMS-TZMCWYRMSA-N 2 2 282.384 0.631 20 0 CCADLP Cc1cc(C[C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)[nH]n1 ZINC000579464938 390175162 /nfs/dbraw/zinc/17/51/62/390175162.db2.gz AYIRIKQWPXHUQL-QMTHXVAHSA-N 2 2 266.389 0.694 20 0 CCADLP Cc1cc(C[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)[nH]n1 ZINC000579464938 390175168 /nfs/dbraw/zinc/17/51/68/390175168.db2.gz AYIRIKQWPXHUQL-QMTHXVAHSA-N 2 2 266.389 0.694 20 0 CCADLP Cc1cc(C[C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)n[nH]1 ZINC000579464938 390175173 /nfs/dbraw/zinc/17/51/73/390175173.db2.gz AYIRIKQWPXHUQL-QMTHXVAHSA-N 2 2 266.389 0.694 20 0 CCADLP Cc1cc(C[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)n[nH]1 ZINC000579464938 390175177 /nfs/dbraw/zinc/17/51/77/390175177.db2.gz AYIRIKQWPXHUQL-QMTHXVAHSA-N 2 2 266.389 0.694 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCCCS(C)(=O)=O)C1 ZINC000647845785 390190941 /nfs/dbraw/zinc/19/09/41/390190941.db2.gz NMPNQCWCHRLVTK-NEPJUHHUSA-N 2 2 262.419 0.870 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCCCS(C)(=O)=O)C1 ZINC000647845785 390190942 /nfs/dbraw/zinc/19/09/42/390190942.db2.gz NMPNQCWCHRLVTK-NEPJUHHUSA-N 2 2 262.419 0.870 20 0 CCADLP O=C(C[N@H+](C1CC1)C1CC[NH2+]CC1)NCC1CC1 ZINC000647814714 390179081 /nfs/dbraw/zinc/17/90/81/390179081.db2.gz AWBGAHGLTDKQMQ-UHFFFAOYSA-N 2 2 251.374 0.729 20 0 CCADLP O=C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)NCC1CC1 ZINC000647814714 390179083 /nfs/dbraw/zinc/17/90/83/390179083.db2.gz AWBGAHGLTDKQMQ-UHFFFAOYSA-N 2 2 251.374 0.729 20 0 CCADLP COCCCNC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814878 390179093 /nfs/dbraw/zinc/17/90/93/390179093.db2.gz JSUYZTONRMNZPB-UHFFFAOYSA-N 2 2 269.389 0.356 20 0 CCADLP COCCCNC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814878 390179095 /nfs/dbraw/zinc/17/90/95/390179095.db2.gz JSUYZTONRMNZPB-UHFFFAOYSA-N 2 2 269.389 0.356 20 0 CCADLP CC[C@@H](O)C[NH+]1CCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000647868721 390200063 /nfs/dbraw/zinc/20/00/63/390200063.db2.gz HKAUGNRKSQYBOF-LLVKDONJSA-N 2 2 293.371 0.174 20 0 CCADLP C[N@H+]1CCN(C(=O)CCOc2cccc(F)c2)[C@H](C[NH3+])C1 ZINC000647873398 390201556 /nfs/dbraw/zinc/20/15/56/390201556.db2.gz FFAUWDWWKKZTLX-CYBMUJFWSA-N 2 2 295.358 0.696 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CS(=O)(=O)CCO1 ZINC000539062629 390202326 /nfs/dbraw/zinc/20/23/26/390202326.db2.gz XNGGEGSZCWGOKA-NDBYEHHHSA-N 2 2 290.429 0.118 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CS(=O)(=O)CCO1 ZINC000539062629 390202327 /nfs/dbraw/zinc/20/23/27/390202327.db2.gz XNGGEGSZCWGOKA-NDBYEHHHSA-N 2 2 290.429 0.118 20 0 CCADLP CCC[NH+]1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000579730409 390205186 /nfs/dbraw/zinc/20/51/86/390205186.db2.gz UNZRAWKHZDLZHU-UHFFFAOYSA-N 2 2 253.390 0.882 20 0 CCADLP CN1CCC[C@H]([N@H+](C)C[C@@H]2CCC[NH+](C)C2)C1=O ZINC000539808728 390211437 /nfs/dbraw/zinc/21/14/37/390211437.db2.gz ODXNJKWZGWEJAT-OLZOCXBDSA-N 2 2 253.390 0.881 20 0 CCADLP CN1CCC[C@H]([N@@H+](C)C[C@@H]2CCC[NH+](C)C2)C1=O ZINC000539808728 390211438 /nfs/dbraw/zinc/21/14/38/390211438.db2.gz ODXNJKWZGWEJAT-OLZOCXBDSA-N 2 2 253.390 0.881 20 0 CCADLP CN1CCC[C@H]([NH+](C)C[C@@H]2CCC[N@H+](C)C2)C1=O ZINC000539808728 390211440 /nfs/dbraw/zinc/21/14/40/390211440.db2.gz ODXNJKWZGWEJAT-OLZOCXBDSA-N 2 2 253.390 0.881 20 0 CCADLP CN1CCC[C@H]([NH+](C)C[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC000539808728 390211443 /nfs/dbraw/zinc/21/14/43/390211443.db2.gz ODXNJKWZGWEJAT-OLZOCXBDSA-N 2 2 253.390 0.881 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903986 390212786 /nfs/dbraw/zinc/21/27/86/390212786.db2.gz UNWJDMZLHJJPOW-STQMWFEESA-N 2 2 289.445 0.390 20 0 CCADLP CCS(=O)(=O)NCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903986 390212789 /nfs/dbraw/zinc/21/27/89/390212789.db2.gz UNWJDMZLHJJPOW-STQMWFEESA-N 2 2 289.445 0.390 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000579704200 390199587 /nfs/dbraw/zinc/19/95/87/390199587.db2.gz DYYOAAYWVQEESF-QMMMGPOBSA-N 2 2 284.385 0.433 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000579704200 390199589 /nfs/dbraw/zinc/19/95/89/390199589.db2.gz DYYOAAYWVQEESF-QMMMGPOBSA-N 2 2 284.385 0.433 20 0 CCADLP CC[C@@H](O)C[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000644517343 390243136 /nfs/dbraw/zinc/24/31/36/390243136.db2.gz SWYSIPQRTQMUKM-CQSZACIVSA-N 2 2 293.415 0.349 20 0 CCADLP CC[C@H](C)NC(=O)CN1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647988492 390239933 /nfs/dbraw/zinc/23/99/33/390239933.db2.gz RJOSSQZKFJTYBT-UONOGXRCSA-N 2 2 282.432 0.128 20 0 CCADLP CC[C@H](C)NC(=O)C[NH+]1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000647988492 390239936 /nfs/dbraw/zinc/23/99/36/390239936.db2.gz RJOSSQZKFJTYBT-UONOGXRCSA-N 2 2 282.432 0.128 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1CC(=O)N(C2CC2)C1 ZINC000582067370 390257969 /nfs/dbraw/zinc/25/79/69/390257969.db2.gz QMMFLPUBXQMXIM-WZRBSPASSA-N 2 2 251.374 0.537 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1CC(=O)N(C2CC2)C1 ZINC000582067370 390257972 /nfs/dbraw/zinc/25/79/72/390257972.db2.gz QMMFLPUBXQMXIM-WZRBSPASSA-N 2 2 251.374 0.537 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN2CCOC[C@@H]2C1 ZINC000543558634 390284989 /nfs/dbraw/zinc/28/49/89/390284989.db2.gz XZXDLKZONIEWOH-CABCVRRESA-N 2 2 267.417 0.877 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN2CCOC[C@@H]2C1 ZINC000543558634 390284992 /nfs/dbraw/zinc/28/49/92/390284992.db2.gz XZXDLKZONIEWOH-CABCVRRESA-N 2 2 267.417 0.877 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000543558634 390284994 /nfs/dbraw/zinc/28/49/94/390284994.db2.gz XZXDLKZONIEWOH-CABCVRRESA-N 2 2 267.417 0.877 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000543558634 390284998 /nfs/dbraw/zinc/28/49/98/390284998.db2.gz XZXDLKZONIEWOH-CABCVRRESA-N 2 2 267.417 0.877 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CCN1CC[NH+]2CCOC[C@@H]2C1 ZINC000543558634 390285002 /nfs/dbraw/zinc/28/50/02/390285002.db2.gz XZXDLKZONIEWOH-CABCVRRESA-N 2 2 267.417 0.877 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CCN1CC[NH+]2CCOC[C@@H]2C1 ZINC000543558634 390285004 /nfs/dbraw/zinc/28/50/04/390285004.db2.gz XZXDLKZONIEWOH-CABCVRRESA-N 2 2 267.417 0.877 20 0 CCADLP C[NH+]1CCCC[C@@H]1CCN1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000543558634 390285008 /nfs/dbraw/zinc/28/50/08/390285008.db2.gz XZXDLKZONIEWOH-CABCVRRESA-N 2 2 267.417 0.877 20 0 CCADLP C[NH+]1CCCC[C@@H]1CCN1CC[N@H+]2CCOC[C@@H]2C1 ZINC000543558634 390285012 /nfs/dbraw/zinc/28/50/12/390285012.db2.gz XZXDLKZONIEWOH-CABCVRRESA-N 2 2 267.417 0.877 20 0 CCADLP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000583452559 390286769 /nfs/dbraw/zinc/28/67/69/390286769.db2.gz OZYQSOQXWGNKSY-JTQLQIEISA-N 2 2 287.323 0.141 20 0 CCADLP CC(C)[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C(F)(F)F ZINC000583740976 390306496 /nfs/dbraw/zinc/30/64/96/390306496.db2.gz MOTGYBZAJFXDFK-ZJUUUORDSA-N 2 2 296.337 0.858 20 0 CCADLP CC(C)[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C(F)(F)F ZINC000583740976 390306501 /nfs/dbraw/zinc/30/65/01/390306501.db2.gz MOTGYBZAJFXDFK-ZJUUUORDSA-N 2 2 296.337 0.858 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@@]3(CNC(=O)C3)C2)n1C ZINC000583749104 390307442 /nfs/dbraw/zinc/30/74/42/390307442.db2.gz JMVZZEURQDORAU-OAHLLOKOSA-N 2 2 291.399 0.588 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@@]3(CNC(=O)C3)C2)n1C ZINC000583749104 390307445 /nfs/dbraw/zinc/30/74/45/390307445.db2.gz JMVZZEURQDORAU-OAHLLOKOSA-N 2 2 291.399 0.588 20 0 CCADLP CC1(OCC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)C[NH2+]C1 ZINC000648151640 390313681 /nfs/dbraw/zinc/31/36/81/390313681.db2.gz AHCCCHMRSCQOCI-LLVKDONJSA-N 2 2 278.356 0.842 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000648152238 390314272 /nfs/dbraw/zinc/31/42/72/390314272.db2.gz AWMQRUPENSFIBW-LLVKDONJSA-N 2 2 291.342 0.022 20 0 CCADLP Cc1nc(N2CCN(C(=O)CCC(C)(C)[NH3+])CC2)cc[nH+]1 ZINC000648157791 390319318 /nfs/dbraw/zinc/31/93/18/390319318.db2.gz CPKFGAMHSFGRQH-UHFFFAOYSA-N 2 2 291.399 0.951 20 0 CCADLP C[C@H](CC(=O)N=c1ccn(CC[NH+](C)C)[nH]1)n1cc[nH+]c1 ZINC000583938515 390326437 /nfs/dbraw/zinc/32/64/37/390326437.db2.gz ZMRSEIZZNRPAAG-GFCCVEGCSA-N 2 2 290.371 0.653 20 0 CCADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC000644826308 390327045 /nfs/dbraw/zinc/32/70/45/390327045.db2.gz NDCKRAZFAOFZIR-BFHYXJOUSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC000644826308 390327049 /nfs/dbraw/zinc/32/70/49/390327049.db2.gz NDCKRAZFAOFZIR-BFHYXJOUSA-N 2 2 288.395 0.998 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)C(=O)NCC2 ZINC000584404806 390340873 /nfs/dbraw/zinc/34/08/73/390340873.db2.gz BCWLNCWBALMIEQ-ZIAGYGMSSA-N 2 2 259.353 0.942 20 0 CCADLP C[C@@H]1CCCC[C@H]1OCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000584468842 390346980 /nfs/dbraw/zinc/34/69/80/390346980.db2.gz VFDBWUWKYKIQGW-HZSPNIEDSA-N 2 2 283.416 0.683 20 0 CCADLP C[C@@H]1CCCC[C@H]1OCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000584468842 390346983 /nfs/dbraw/zinc/34/69/83/390346983.db2.gz VFDBWUWKYKIQGW-HZSPNIEDSA-N 2 2 283.416 0.683 20 0 CCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648774403 390406312 /nfs/dbraw/zinc/40/63/12/390406312.db2.gz WJXUZMMYKZZIJI-BFHYXJOUSA-N 2 2 282.432 0.079 20 0 CCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648774403 390406313 /nfs/dbraw/zinc/40/63/13/390406313.db2.gz WJXUZMMYKZZIJI-BFHYXJOUSA-N 2 2 282.432 0.079 20 0 CCADLP COC1(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000648780025 390407802 /nfs/dbraw/zinc/40/78/02/390407802.db2.gz QAJWDGRBWXMIKH-AWEZNQCLSA-N 2 2 295.427 0.792 20 0 CCADLP COC1(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000648780025 390407803 /nfs/dbraw/zinc/40/78/03/390407803.db2.gz QAJWDGRBWXMIKH-AWEZNQCLSA-N 2 2 295.427 0.792 20 0 CCADLP CC[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000554400468 390425744 /nfs/dbraw/zinc/42/57/44/390425744.db2.gz MQIDISFFNUNLMW-LLVKDONJSA-N 2 2 250.346 0.563 20 0 CCADLP C[C@H]1CCCC[N@@H+]1CCNC(=O)Cc1c[nH+]cn1C ZINC000547539698 390382312 /nfs/dbraw/zinc/38/23/12/390382312.db2.gz PAMRTWNKDIWPFR-LBPRGKRZSA-N 2 2 264.373 0.953 20 0 CCADLP C[C@H]1CCCC[N@H+]1CCNC(=O)Cc1c[nH+]cn1C ZINC000547539698 390382314 /nfs/dbraw/zinc/38/23/14/390382314.db2.gz PAMRTWNKDIWPFR-LBPRGKRZSA-N 2 2 264.373 0.953 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000547605336 390386152 /nfs/dbraw/zinc/38/61/52/390386152.db2.gz JRYXDNRSWTVBRI-CYBMUJFWSA-N 2 2 292.383 0.286 20 0 CCADLP Nc1nc(N2CC[N@@H+]3CCOC[C@H]3C2)c2c([nH+]1)CCCC2 ZINC000645210300 390388893 /nfs/dbraw/zinc/38/88/93/390388893.db2.gz FENMFFWSGDZXCF-LLVKDONJSA-N 2 2 289.383 0.289 20 0 CCADLP Nc1nc(N2CC[N@H+]3CCOC[C@H]3C2)c2c([nH+]1)CCCC2 ZINC000645210300 390388894 /nfs/dbraw/zinc/38/88/94/390388894.db2.gz FENMFFWSGDZXCF-LLVKDONJSA-N 2 2 289.383 0.289 20 0 CCADLP CC[N@H+](CC(=O)N[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000547658339 390389518 /nfs/dbraw/zinc/38/95/18/390389518.db2.gz FXCCFHGMJMVAFM-LLVKDONJSA-N 2 2 262.357 0.798 20 0 CCADLP CC[N@@H+](CC(=O)N[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000547658339 390389520 /nfs/dbraw/zinc/38/95/20/390389520.db2.gz FXCCFHGMJMVAFM-LLVKDONJSA-N 2 2 262.357 0.798 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000565421037 390512495 /nfs/dbraw/zinc/51/24/95/390512495.db2.gz SUXMXJDEVOLBFU-NWDGAFQWSA-N 2 2 286.420 0.522 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000565421037 390512499 /nfs/dbraw/zinc/51/24/99/390512499.db2.gz SUXMXJDEVOLBFU-NWDGAFQWSA-N 2 2 286.420 0.522 20 0 CCADLP OCC1CCC([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000643471214 390450754 /nfs/dbraw/zinc/45/07/54/390450754.db2.gz DGYGNXDEUSBGLY-UZVIJOLCSA-N 2 2 268.401 0.894 20 0 CCADLP CCCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](C)C1 ZINC000649000175 390463596 /nfs/dbraw/zinc/46/35/96/390463596.db2.gz QFCSYXUJFRCCKA-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP CCCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](C)C1 ZINC000649000175 390463599 /nfs/dbraw/zinc/46/35/99/390463599.db2.gz QFCSYXUJFRCCKA-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP CC[NH+](Cc1cnn(C)c1)C[C@H](O)C[N@@H+](C)CC ZINC000565459990 390516224 /nfs/dbraw/zinc/51/62/24/390516224.db2.gz YEDYDJBMGQXSDN-CYBMUJFWSA-N 2 2 254.378 0.555 20 0 CCADLP CC[NH+](Cc1cnn(C)c1)C[C@H](O)C[N@H+](C)CC ZINC000565459990 390516226 /nfs/dbraw/zinc/51/62/26/390516226.db2.gz YEDYDJBMGQXSDN-CYBMUJFWSA-N 2 2 254.378 0.555 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](CC)Cc1cnn(C)c1 ZINC000565459990 390516230 /nfs/dbraw/zinc/51/62/30/390516230.db2.gz YEDYDJBMGQXSDN-CYBMUJFWSA-N 2 2 254.378 0.555 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)Cc1cnn(C)c1 ZINC000565459990 390516234 /nfs/dbraw/zinc/51/62/34/390516234.db2.gz YEDYDJBMGQXSDN-CYBMUJFWSA-N 2 2 254.378 0.555 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1C[C@@H]2CCCCN2C1=O)C1CC1 ZINC000516276919 390481374 /nfs/dbraw/zinc/48/13/74/390481374.db2.gz QLDCXLGEJSXHAH-BFHYXJOUSA-N 2 2 281.400 0.185 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1C[C@@H]2CCCCN2C1=O)C1CC1 ZINC000516276919 390481377 /nfs/dbraw/zinc/48/13/77/390481377.db2.gz QLDCXLGEJSXHAH-BFHYXJOUSA-N 2 2 281.400 0.185 20 0 CCADLP C[N@H+]1CCN(C(=O)Nc2cc3c(cn2)CCC3)[C@@H](C[NH3+])C1 ZINC000519631931 390519848 /nfs/dbraw/zinc/51/98/48/390519848.db2.gz IADHCPJHBGRBOV-ZDUSSCGKSA-N 2 2 289.383 0.677 20 0 CCADLP C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000649211615 390523727 /nfs/dbraw/zinc/52/37/27/390523727.db2.gz XIMRSGPDWHMJPJ-STQMWFEESA-N 2 2 276.384 0.904 20 0 CCADLP C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000649211615 390523730 /nfs/dbraw/zinc/52/37/30/390523730.db2.gz XIMRSGPDWHMJPJ-STQMWFEESA-N 2 2 276.384 0.904 20 0 CCADLP Cc1ccsc1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000565704896 390537051 /nfs/dbraw/zinc/53/70/51/390537051.db2.gz GNHXDQFPESYCHJ-NSHDSACASA-N 2 2 282.413 0.841 20 0 CCADLP Cc1ccsc1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000565704896 390537053 /nfs/dbraw/zinc/53/70/53/390537053.db2.gz GNHXDQFPESYCHJ-NSHDSACASA-N 2 2 282.413 0.841 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@@H](C)[NH+]2CC(C)C2)[C@H](C)C1 ZINC000565726982 390540940 /nfs/dbraw/zinc/54/09/40/390540940.db2.gz XMISPSPASJZBAD-CHWSQXEVSA-N 2 2 253.390 0.879 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@@H](C)[NH+]2CC(C)C2)[C@H](C)C1 ZINC000565726982 390540945 /nfs/dbraw/zinc/54/09/45/390540945.db2.gz XMISPSPASJZBAD-CHWSQXEVSA-N 2 2 253.390 0.879 20 0 CCADLP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000645944348 390542500 /nfs/dbraw/zinc/54/25/00/390542500.db2.gz JYGSQODZXRNKOB-TZMCWYRMSA-N 2 2 291.399 0.062 20 0 CCADLP [NH3+][C@H](C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1cscn1 ZINC000519820314 390548138 /nfs/dbraw/zinc/54/81/38/390548138.db2.gz GBGQUKPOSPUXIM-AAEUAGOBSA-N 2 2 280.397 0.745 20 0 CCADLP O=C(NCCc1cn2ccccc2[nH+]1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649284702 390549818 /nfs/dbraw/zinc/54/98/18/390549818.db2.gz RWIZWVJLHMKRFC-RTXFEEFZSA-N 2 2 270.336 0.743 20 0 CCADLP C[C@H](C(=O)N[C@@H](C)Cn1cc[nH+]c1)[NH+]1CC(C)C1 ZINC000519834153 390552504 /nfs/dbraw/zinc/55/25/04/390552504.db2.gz QBFGEWQTVVNMBL-NWDGAFQWSA-N 2 2 250.346 0.728 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)c[nH+]1 ZINC000649293055 390552626 /nfs/dbraw/zinc/55/26/26/390552626.db2.gz YIAWCAUQYTYYLL-PJXYFTJBSA-N 2 2 260.341 0.229 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CCO1 ZINC000565895791 390556949 /nfs/dbraw/zinc/55/69/49/390556949.db2.gz VVGNAAWJTNLFDY-IPYPFGDCSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CCO1 ZINC000565895791 390556951 /nfs/dbraw/zinc/55/69/51/390556951.db2.gz VVGNAAWJTNLFDY-IPYPFGDCSA-N 2 2 283.416 0.731 20 0 CCADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@H]2[NH2+]CC2(C)C)no1 ZINC000649304174 390563473 /nfs/dbraw/zinc/56/34/73/390563473.db2.gz LLZGUGXYFNYGTR-SNVBAGLBSA-N 2 2 295.387 0.481 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000649312083 390570965 /nfs/dbraw/zinc/57/09/65/390570965.db2.gz NIROMXUCCZNQPQ-UTUOFQBUSA-N 2 2 257.378 0.197 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000649312083 390570970 /nfs/dbraw/zinc/57/09/70/390570970.db2.gz NIROMXUCCZNQPQ-UTUOFQBUSA-N 2 2 257.378 0.197 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000649320561 390577360 /nfs/dbraw/zinc/57/73/60/390577360.db2.gz LRWSPNHFVUTQDO-OLZOCXBDSA-N 2 2 269.389 0.356 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000649320561 390577362 /nfs/dbraw/zinc/57/73/62/390577362.db2.gz LRWSPNHFVUTQDO-OLZOCXBDSA-N 2 2 269.389 0.356 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC(C(C)(C)C)C1 ZINC000566481673 390620449 /nfs/dbraw/zinc/62/04/49/390620449.db2.gz ONDVZDOBXAQDQW-CYBMUJFWSA-N 2 2 258.406 0.903 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC(C(C)(C)C)C1 ZINC000566481673 390620451 /nfs/dbraw/zinc/62/04/51/390620451.db2.gz ONDVZDOBXAQDQW-CYBMUJFWSA-N 2 2 258.406 0.903 20 0 CCADLP COc1cc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])ccn1 ZINC000566608884 390632193 /nfs/dbraw/zinc/63/21/93/390632193.db2.gz ZKSRXYRDCXQANY-NSHDSACASA-N 2 2 279.344 0.197 20 0 CCADLP COc1cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])ccn1 ZINC000566608884 390632197 /nfs/dbraw/zinc/63/21/97/390632197.db2.gz ZKSRXYRDCXQANY-NSHDSACASA-N 2 2 279.344 0.197 20 0 CCADLP CC[N@H+](C)CCNC(=O)NCCCCn1cc[nH+]c1 ZINC000523202521 390634902 /nfs/dbraw/zinc/63/49/02/390634902.db2.gz RARJGFFEHTVGBP-UHFFFAOYSA-N 2 2 267.377 0.914 20 0 CCADLP CC[N@@H+](C)CCNC(=O)NCCCCn1cc[nH+]c1 ZINC000523202521 390634905 /nfs/dbraw/zinc/63/49/05/390634905.db2.gz RARJGFFEHTVGBP-UHFFFAOYSA-N 2 2 267.377 0.914 20 0 CCADLP C[C@@H](CF)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000646215005 390637546 /nfs/dbraw/zinc/63/75/46/390637546.db2.gz GMLLYWZOOPESGQ-ZDUSSCGKSA-N 2 2 273.396 0.731 20 0 CCADLP C[C@@H](CF)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000646215005 390637548 /nfs/dbraw/zinc/63/75/48/390637548.db2.gz GMLLYWZOOPESGQ-ZDUSSCGKSA-N 2 2 273.396 0.731 20 0 CCADLP Cc1cc(NCC[N@@H+]2CCO[C@H](C)C2)nc(C)[nH+]1 ZINC000523463099 390637790 /nfs/dbraw/zinc/63/77/90/390637790.db2.gz LMHFMYUKRUVKDS-LLVKDONJSA-N 2 2 250.346 0.648 20 0 CCADLP Cc1cc(NCC[N@H+]2CCO[C@H](C)C2)nc(C)[nH+]1 ZINC000523463099 390637791 /nfs/dbraw/zinc/63/77/91/390637791.db2.gz LMHFMYUKRUVKDS-LLVKDONJSA-N 2 2 250.346 0.648 20 0 CCADLP Cc1cccc2[nH+]c(CCNC(=O)N3CC[C@H]([NH3+])C3)cn21 ZINC000646234289 390645291 /nfs/dbraw/zinc/64/52/91/390645291.db2.gz HMDSCZUZIKUMMK-LBPRGKRZSA-N 2 2 287.367 0.928 20 0 CCADLP CO[C@@H]1COCC[C@@H]1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000566849889 390652721 /nfs/dbraw/zinc/65/27/21/390652721.db2.gz YJPZKGUMKPBRKB-LXTVHRRPSA-N 2 2 284.400 0.395 20 0 CCADLP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000566893976 390657090 /nfs/dbraw/zinc/65/70/90/390657090.db2.gz LKNXANSHDCPILY-OLZOCXBDSA-N 2 2 276.384 0.904 20 0 CCADLP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000566893976 390657093 /nfs/dbraw/zinc/65/70/93/390657093.db2.gz LKNXANSHDCPILY-OLZOCXBDSA-N 2 2 276.384 0.904 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCc2nccs2)C[C@@H](C)O1 ZINC000566909889 390658057 /nfs/dbraw/zinc/65/80/57/390658057.db2.gz QLLVUGFQQPPKGO-JHJVBQTASA-N 2 2 299.440 0.745 20 0 CCADLP Cc1cnccc1C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000566910521 390658132 /nfs/dbraw/zinc/65/81/32/390658132.db2.gz PJIZCQFKVQKVRM-LZWOXQAQSA-N 2 2 293.411 0.950 20 0 CCADLP Cc1cnccc1C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000566910521 390658135 /nfs/dbraw/zinc/65/81/35/390658135.db2.gz PJIZCQFKVQKVRM-LZWOXQAQSA-N 2 2 293.411 0.950 20 0 CCADLP C(C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)OC[C@@H]1CCCO1 ZINC000525122555 390659631 /nfs/dbraw/zinc/65/96/31/390659631.db2.gz GXIQXRDYCDXBGN-CVEARBPZSA-N 2 2 298.427 0.836 20 0 CCADLP C(C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)OC[C@@H]1CCCO1 ZINC000525122555 390659633 /nfs/dbraw/zinc/65/96/33/390659633.db2.gz GXIQXRDYCDXBGN-CVEARBPZSA-N 2 2 298.427 0.836 20 0 CCADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102264 390597648 /nfs/dbraw/zinc/59/76/48/390597648.db2.gz GZHLBLQWFTUWHC-AWEZNQCLSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[C@H](C)NC(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102264 390597652 /nfs/dbraw/zinc/59/76/52/390597652.db2.gz GZHLBLQWFTUWHC-AWEZNQCLSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1CCO ZINC000566452604 390611532 /nfs/dbraw/zinc/61/15/32/390611532.db2.gz ZQISIKMYIUJCMQ-CYBMUJFWSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1CCO ZINC000566452604 390611534 /nfs/dbraw/zinc/61/15/34/390611534.db2.gz ZQISIKMYIUJCMQ-CYBMUJFWSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1CCO ZINC000566452604 390611538 /nfs/dbraw/zinc/61/15/38/390611538.db2.gz ZQISIKMYIUJCMQ-CYBMUJFWSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1CCO ZINC000566452604 390611540 /nfs/dbraw/zinc/61/15/40/390611540.db2.gz ZQISIKMYIUJCMQ-CYBMUJFWSA-N 2 2 283.416 0.243 20 0 CCADLP C[NH2+]CCC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000646138554 390616552 /nfs/dbraw/zinc/61/65/52/390616552.db2.gz LPJZUJDQELKRNI-UHFFFAOYSA-N 2 2 260.341 0.911 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000646679097 390708002 /nfs/dbraw/zinc/70/80/02/390708002.db2.gz UKATZJSMXLHOBV-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000646679097 390708004 /nfs/dbraw/zinc/70/80/04/390708004.db2.gz UKATZJSMXLHOBV-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP CN(C(=O)CCCn1cc[nH+]c1)[C@H]1CC[N@H+](C)C1 ZINC000527535715 390708609 /nfs/dbraw/zinc/70/86/09/390708609.db2.gz VIPAEUBLDQHYJE-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP CN(C(=O)CCCn1cc[nH+]c1)[C@H]1CC[N@@H+](C)C1 ZINC000527535715 390708611 /nfs/dbraw/zinc/70/86/11/390708611.db2.gz VIPAEUBLDQHYJE-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000527595380 390717231 /nfs/dbraw/zinc/71/72/31/390717231.db2.gz TUDDLTPLDSJINK-QWHCGFSZSA-N 2 2 276.384 0.902 20 0 CCADLP CN(CCC[NH3+])C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000646782136 390719214 /nfs/dbraw/zinc/71/92/14/390719214.db2.gz HDKJNWFHAUZORL-UHFFFAOYSA-N 2 2 259.313 0.688 20 0 CCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H](C)C[NH3+] ZINC000570835630 390720621 /nfs/dbraw/zinc/72/06/21/390720621.db2.gz OYXYMLCXWPPLID-SNVBAGLBSA-N 2 2 278.356 0.760 20 0 CCADLP CCOC(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000570843535 390721572 /nfs/dbraw/zinc/72/15/72/390721572.db2.gz CQBLAKZCMJBFHF-LLVKDONJSA-N 2 2 256.346 0.237 20 0 CCADLP CCOC(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000570843535 390721574 /nfs/dbraw/zinc/72/15/74/390721574.db2.gz CQBLAKZCMJBFHF-LLVKDONJSA-N 2 2 256.346 0.237 20 0 CCADLP COc1ccc[nH+]c1NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000527905386 390725581 /nfs/dbraw/zinc/72/55/81/390725581.db2.gz OFIYLGKWRZXNRT-AWEZNQCLSA-N 2 2 281.356 0.585 20 0 CCADLP COCc1cccc(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000646835450 390726317 /nfs/dbraw/zinc/72/63/17/390726317.db2.gz FFOKCCVQNQEBJU-HNNXBMFYSA-N 2 2 291.395 0.477 20 0 CCADLP COCc1cccc(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000646835450 390726319 /nfs/dbraw/zinc/72/63/19/390726319.db2.gz FFOKCCVQNQEBJU-HNNXBMFYSA-N 2 2 291.395 0.477 20 0 CCADLP CCCC[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000646837251 390726737 /nfs/dbraw/zinc/72/67/37/390726737.db2.gz NFBFEAFQMJXAIN-SCZZXKLOSA-N 2 2 256.375 0.777 20 0 CCADLP [NH3+][C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1cscn1 ZINC000646330736 390666245 /nfs/dbraw/zinc/66/62/45/390666245.db2.gz JVMOCXAQURRBBG-NGZCFLSTSA-N 2 2 266.370 0.496 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](C[C@H](C)C(=O)OC)C1CC1 ZINC000571341633 390731744 /nfs/dbraw/zinc/73/17/44/390731744.db2.gz PCRZQLNSTRZMIW-AAEUAGOBSA-N 2 2 272.389 0.573 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C[C@H](C)C(=O)OC)C1CC1 ZINC000571341633 390731746 /nfs/dbraw/zinc/73/17/46/390731746.db2.gz PCRZQLNSTRZMIW-AAEUAGOBSA-N 2 2 272.389 0.573 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](C[C@H](C)C(=O)OC)C1CC1 ZINC000571341633 390731747 /nfs/dbraw/zinc/73/17/47/390731747.db2.gz PCRZQLNSTRZMIW-AAEUAGOBSA-N 2 2 272.389 0.573 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C[C@H](C)C(=O)OC)C1CC1 ZINC000571341633 390731749 /nfs/dbraw/zinc/73/17/49/390731749.db2.gz PCRZQLNSTRZMIW-AAEUAGOBSA-N 2 2 272.389 0.573 20 0 CCADLP O=C(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)NCc1ccccc1 ZINC000567322683 390692613 /nfs/dbraw/zinc/69/26/13/390692613.db2.gz BKOJTFIDRSAUNB-UHFFFAOYSA-N 2 2 299.378 0.848 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C[NH+](C)C ZINC000646607181 390699637 /nfs/dbraw/zinc/69/96/37/390699637.db2.gz MECZYQWUXPDYPU-RYUDHWBXSA-N 2 2 264.373 0.759 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000567483095 390700670 /nfs/dbraw/zinc/70/06/70/390700670.db2.gz KIOYDVOQNPUJML-ZFWWWQNUSA-N 2 2 286.416 0.569 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000567483095 390700673 /nfs/dbraw/zinc/70/06/73/390700673.db2.gz KIOYDVOQNPUJML-ZFWWWQNUSA-N 2 2 286.416 0.569 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000567483095 390700674 /nfs/dbraw/zinc/70/06/74/390700674.db2.gz KIOYDVOQNPUJML-ZFWWWQNUSA-N 2 2 286.416 0.569 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000567483095 390700676 /nfs/dbraw/zinc/70/06/76/390700676.db2.gz KIOYDVOQNPUJML-ZFWWWQNUSA-N 2 2 286.416 0.569 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000567483092 390700850 /nfs/dbraw/zinc/70/08/50/390700850.db2.gz KIOYDVOQNPUJML-DZGCQCFKSA-N 2 2 286.416 0.569 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000567483092 390700851 /nfs/dbraw/zinc/70/08/51/390700851.db2.gz KIOYDVOQNPUJML-DZGCQCFKSA-N 2 2 286.416 0.569 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000567483092 390700852 /nfs/dbraw/zinc/70/08/52/390700852.db2.gz KIOYDVOQNPUJML-DZGCQCFKSA-N 2 2 286.416 0.569 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000567483092 390700854 /nfs/dbraw/zinc/70/08/54/390700854.db2.gz KIOYDVOQNPUJML-DZGCQCFKSA-N 2 2 286.416 0.569 20 0 CCADLP C[NH2+]CCC[NH+]1CCN(Cc2nccn2C)CC1 ZINC000571801969 390753980 /nfs/dbraw/zinc/75/39/80/390753980.db2.gz AVGRDCOUCWHJCE-UHFFFAOYSA-N 2 2 251.378 0.147 20 0 CCADLP C[C@H](CC(=O)NCC[N@@H+]1CCO[C@H](C)C1)C1CC[NH2+]CC1 ZINC000571804506 390754356 /nfs/dbraw/zinc/75/43/56/390754356.db2.gz SIPSISYFLXGDHB-ZIAGYGMSSA-N 2 2 297.443 0.849 20 0 CCADLP C[C@H](CC(=O)NCC[N@H+]1CCO[C@H](C)C1)C1CC[NH2+]CC1 ZINC000571804506 390754357 /nfs/dbraw/zinc/75/43/57/390754357.db2.gz SIPSISYFLXGDHB-ZIAGYGMSSA-N 2 2 297.443 0.849 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC(CC[NH3+])CC1 ZINC000571814965 390754664 /nfs/dbraw/zinc/75/46/64/390754664.db2.gz KLFSXRLALQLTSO-UHFFFAOYSA-N 2 2 298.431 0.030 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC(CC[NH3+])CC1 ZINC000571814965 390754666 /nfs/dbraw/zinc/75/46/66/390754666.db2.gz KLFSXRLALQLTSO-UHFFFAOYSA-N 2 2 298.431 0.030 20 0 CCADLP COCC[NH2+]CC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000571879982 390757687 /nfs/dbraw/zinc/75/76/87/390757687.db2.gz GPZVUEISNZDHAU-UHFFFAOYSA-N 2 2 251.330 0.551 20 0 CCADLP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000528756950 390775426 /nfs/dbraw/zinc/77/54/26/390775426.db2.gz PFLPERWEUMYQJB-CIQGVGRVSA-N 2 2 269.389 0.162 20 0 CCADLP C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000528756957 390775485 /nfs/dbraw/zinc/77/54/85/390775485.db2.gz PFLPERWEUMYQJB-FMSGJZPZSA-N 2 2 269.389 0.162 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C)[C@@H]1CO ZINC000572493807 390786045 /nfs/dbraw/zinc/78/60/45/390786045.db2.gz AVWXLPQJOHEALE-IHRRRGAJSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C)[C@@H]1CO ZINC000572493807 390786046 /nfs/dbraw/zinc/78/60/46/390786046.db2.gz AVWXLPQJOHEALE-IHRRRGAJSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](C)[C@@H]1CO ZINC000572493807 390786047 /nfs/dbraw/zinc/78/60/47/390786047.db2.gz AVWXLPQJOHEALE-IHRRRGAJSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](C)[C@@H]1CO ZINC000572493807 390786048 /nfs/dbraw/zinc/78/60/48/390786048.db2.gz AVWXLPQJOHEALE-IHRRRGAJSA-N 2 2 274.405 0.018 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)CO1 ZINC000647200364 390786974 /nfs/dbraw/zinc/78/69/74/390786974.db2.gz AKJKSEQGBGJAJM-FRRDWIJNSA-N 2 2 292.383 0.678 20 0 CCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000572541514 390789186 /nfs/dbraw/zinc/78/91/86/390789186.db2.gz BUBZJNCMDGJOQM-ILXRZTDVSA-N 3 2 296.459 0.789 20 0 CCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000572541514 390789188 /nfs/dbraw/zinc/78/91/88/390789188.db2.gz BUBZJNCMDGJOQM-ILXRZTDVSA-N 3 2 296.459 0.789 20 0 CCADLP [NH3+][C@@H](C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1cscn1 ZINC000572635727 390794141 /nfs/dbraw/zinc/79/41/41/390794141.db2.gz DWSBQGYDZFQEPQ-CMPLNLGQSA-N 2 2 280.397 0.840 20 0 CCADLP [NH3+][C@@H](C(=O)N1CC[N@H+]2CCCC[C@H]2C1)c1cscn1 ZINC000572635727 390794144 /nfs/dbraw/zinc/79/41/44/390794144.db2.gz DWSBQGYDZFQEPQ-CMPLNLGQSA-N 2 2 280.397 0.840 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529300743 390802772 /nfs/dbraw/zinc/80/27/72/390802772.db2.gz FFPZMRHPKLCTKI-CHWSQXEVSA-N 2 2 296.415 0.291 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529300743 390802773 /nfs/dbraw/zinc/80/27/73/390802773.db2.gz FFPZMRHPKLCTKI-CHWSQXEVSA-N 2 2 296.415 0.291 20 0 CCADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000646922076 390741836 /nfs/dbraw/zinc/74/18/36/390741836.db2.gz JKCFQOCMGNAGJI-AAEUAGOBSA-N 2 2 298.350 0.438 20 0 CCADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000646922076 390741838 /nfs/dbraw/zinc/74/18/38/390741838.db2.gz JKCFQOCMGNAGJI-AAEUAGOBSA-N 2 2 298.350 0.438 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H](O)CC2(O)CCC2)CC1 ZINC000528424280 390742591 /nfs/dbraw/zinc/74/25/91/390742591.db2.gz LOROZOUWMDZQGD-ZDUSSCGKSA-N 2 2 294.399 0.208 20 0 CCADLP CC(C)OC[C@H](O)C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000578064252 390861930 /nfs/dbraw/zinc/86/19/30/390861930.db2.gz ZYRIEUGRRDQWNM-MBNYWOFBSA-N 2 2 256.390 0.987 20 0 CCADLP CC(C)OC[C@H](O)C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000578064252 390861931 /nfs/dbraw/zinc/86/19/31/390861931.db2.gz ZYRIEUGRRDQWNM-MBNYWOFBSA-N 2 2 256.390 0.987 20 0 CCADLP Cn1cc(C[NH+]2CCN(C(=O)CCCC[NH3+])CC2)cn1 ZINC000578235072 390872760 /nfs/dbraw/zinc/87/27/60/390872760.db2.gz IMZDVFQXJNTTHZ-UHFFFAOYSA-N 2 2 279.388 0.193 20 0 CCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000529328694 390809765 /nfs/dbraw/zinc/80/97/65/390809765.db2.gz VXXGOEJWRUGKSQ-RISCZKNCSA-N 2 2 291.399 0.906 20 0 CCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000529328694 390809767 /nfs/dbraw/zinc/80/97/67/390809767.db2.gz VXXGOEJWRUGKSQ-RISCZKNCSA-N 2 2 291.399 0.906 20 0 CCADLP Cc1nc(N2CCN(C(=O)Cn3cc[nH+]c3)CC2)cc[nH+]1 ZINC000572892938 390810218 /nfs/dbraw/zinc/81/02/18/390810218.db2.gz ZUXGQQBXRBDPBJ-UHFFFAOYSA-N 2 2 286.339 0.330 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3ccc(F)cc3F)CCN2C1=O ZINC000572985681 390816614 /nfs/dbraw/zinc/81/66/14/390816614.db2.gz LCSQGLSWRCWZGO-AAEUAGOBSA-N 2 2 281.306 0.709 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3ccc(F)cc3F)CCN2C1=O ZINC000572985681 390816615 /nfs/dbraw/zinc/81/66/15/390816615.db2.gz LCSQGLSWRCWZGO-AAEUAGOBSA-N 2 2 281.306 0.709 20 0 CCADLP Cc1ncccc1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000529370397 390820167 /nfs/dbraw/zinc/82/01/67/390820167.db2.gz BDDUIVXOWPKVTA-ZDUSSCGKSA-N 2 2 277.372 0.174 20 0 CCADLP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000529376436 390823543 /nfs/dbraw/zinc/82/35/43/390823543.db2.gz DBEJNFUIBCPSSA-IEECTRCBSA-N 2 2 284.404 0.083 20 0 CCADLP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000529376436 390823546 /nfs/dbraw/zinc/82/35/46/390823546.db2.gz DBEJNFUIBCPSSA-IEECTRCBSA-N 2 2 284.404 0.083 20 0 CCADLP Cc1nc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)nc(N(C)C)[nH+]1 ZINC000574907420 390823739 /nfs/dbraw/zinc/82/37/39/390823739.db2.gz DCAVZLWUHPRXJD-WDEREUQCSA-N 2 2 262.361 0.292 20 0 CCADLP Cc1nc(N(C)C)nc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)[nH+]1 ZINC000574907420 390823741 /nfs/dbraw/zinc/82/37/41/390823741.db2.gz DCAVZLWUHPRXJD-WDEREUQCSA-N 2 2 262.361 0.292 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000574916891 390825474 /nfs/dbraw/zinc/82/54/74/390825474.db2.gz KGDYTMYEWAIENJ-OLZOCXBDSA-N 2 2 286.347 0.078 20 0 CCADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1cscn1 ZINC000574928305 390827114 /nfs/dbraw/zinc/82/71/14/390827114.db2.gz QEUMZILWKMJCIG-VHSXEESVSA-N 2 2 283.401 0.488 20 0 CCADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1cscn1 ZINC000574928305 390827116 /nfs/dbraw/zinc/82/71/16/390827116.db2.gz QEUMZILWKMJCIG-VHSXEESVSA-N 2 2 283.401 0.488 20 0 CCADLP C[N@@H+]1CCN(C(=O)CNc2ccccc2)[C@@H](C[NH3+])C1 ZINC000574974720 390828529 /nfs/dbraw/zinc/82/85/29/390828529.db2.gz NAOPUFLSLKCGRC-ZDUSSCGKSA-N 2 2 262.357 0.200 20 0 CCADLP C[N@H+]1CCN(C(=O)CNc2ccccc2)[C@@H](C[NH3+])C1 ZINC000574974720 390828533 /nfs/dbraw/zinc/82/85/33/390828533.db2.gz NAOPUFLSLKCGRC-ZDUSSCGKSA-N 2 2 262.357 0.200 20 0 CCADLP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000647516155 390828625 /nfs/dbraw/zinc/82/86/25/390828625.db2.gz RJWLPOAJEWUCLV-CVEARBPZSA-N 3 2 280.460 0.698 20 0 CCADLP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000647516155 390828627 /nfs/dbraw/zinc/82/86/27/390828627.db2.gz RJWLPOAJEWUCLV-CVEARBPZSA-N 3 2 280.460 0.698 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000528333976 285394180 /nfs/dbraw/zinc/39/41/80/285394180.db2.gz FNBQKIRDWUUNSF-GFCCVEGCSA-N 2 2 266.345 0.028 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000528333976 285394181 /nfs/dbraw/zinc/39/41/81/285394181.db2.gz FNBQKIRDWUUNSF-GFCCVEGCSA-N 2 2 266.345 0.028 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000647617156 390851736 /nfs/dbraw/zinc/85/17/36/390851736.db2.gz JNNSWTZMTWCMLY-VXGBXAGGSA-N 2 2 250.346 0.872 20 0 CCADLP C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000578502390 390887237 /nfs/dbraw/zinc/88/72/37/390887237.db2.gz OICHMSGUBQAWDZ-ZYHUDNBSSA-N 2 2 262.357 0.762 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000578784163 390902634 /nfs/dbraw/zinc/90/26/34/390902634.db2.gz CFJMZIPEQNFXIV-SNVBAGLBSA-N 2 2 261.329 0.910 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000578784163 390902635 /nfs/dbraw/zinc/90/26/35/390902635.db2.gz CFJMZIPEQNFXIV-SNVBAGLBSA-N 2 2 261.329 0.910 20 0 CCADLP O=S(=O)(C1CC1)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000528615078 285418745 /nfs/dbraw/zinc/41/87/45/285418745.db2.gz STHUZQCODHKQOI-UHFFFAOYSA-N 2 2 298.412 0.383 20 0 CCADLP COC(=O)COC[C@H](C)[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000449191974 533551352 /nfs/dbraw/zinc/55/13/52/533551352.db2.gz PXESGHJOPKHOEA-RWMBFGLXSA-N 2 2 272.389 0.883 20 0 CCADLP COC(=O)COC[C@H](C)[NH2+][C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000449191974 533551354 /nfs/dbraw/zinc/55/13/54/533551354.db2.gz PXESGHJOPKHOEA-RWMBFGLXSA-N 2 2 272.389 0.883 20 0 CCADLP COc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1O ZINC000358168609 533670729 /nfs/dbraw/zinc/67/07/29/533670729.db2.gz OPMHDQRUEKFOHR-AWEZNQCLSA-N 2 2 266.341 0.557 20 0 CCADLP COc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1O ZINC000358168609 533670739 /nfs/dbraw/zinc/67/07/39/533670739.db2.gz OPMHDQRUEKFOHR-AWEZNQCLSA-N 2 2 266.341 0.557 20 0 CCADLP [NH3+]CCCC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000237904117 131064588 /nfs/dbraw/zinc/06/45/88/131064588.db2.gz RYTWUNQVLZRISA-UHFFFAOYSA-N 2 2 277.368 0.775 20 0 CCADLP [NH3+]C[C@@H]1CCCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000237974244 131070034 /nfs/dbraw/zinc/07/00/34/131070034.db2.gz KPLLTUXKXXWZHN-LBPRGKRZSA-N 2 2 271.324 0.831 20 0 CCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)[C@H]1CCC[NH2+]1 ZINC000238096889 131076897 /nfs/dbraw/zinc/07/68/97/131076897.db2.gz UPOVBJCYTZSSKF-GFCCVEGCSA-N 2 2 279.409 0.974 20 0 CCADLP O=C(NCC[N@H+]1CCc2sccc2C1)[C@H]1CCC[NH2+]1 ZINC000238096889 131076899 /nfs/dbraw/zinc/07/68/99/131076899.db2.gz UPOVBJCYTZSSKF-GFCCVEGCSA-N 2 2 279.409 0.974 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000250625452 131126434 /nfs/dbraw/zinc/12/64/34/131126434.db2.gz WHGOYYZMFWLDNU-UTUOFQBUSA-N 2 2 262.357 0.957 20 0 CCADLP CN(C)c1ccc(CNC(=O)C[C@H]2COCC[NH2+]2)c[nH+]1 ZINC000262361171 131214849 /nfs/dbraw/zinc/21/48/49/131214849.db2.gz KKUHPWWKSCDMHS-LBPRGKRZSA-N 2 2 278.356 0.142 20 0 CCADLP Cc1ncc(C[NH+]2CCN(C(=O)C(C)(C)[NH3+])CC2)s1 ZINC000262658662 131248318 /nfs/dbraw/zinc/24/83/18/131248318.db2.gz VWDWGJYKEUXOCW-UHFFFAOYSA-N 2 2 282.413 0.833 20 0 CCADLP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000262741684 131257168 /nfs/dbraw/zinc/25/71/68/131257168.db2.gz JCFLNPHKXPQMHP-AAEUAGOBSA-N 2 2 272.352 0.991 20 0 CCADLP CC(C)c1nc(N[C@H](CO)C[NH+](C)C)nc(N(C)C)[nH+]1 ZINC000685262238 545805604 /nfs/dbraw/zinc/80/56/04/545805604.db2.gz QIQPQEZDJMDLTE-JTQLQIEISA-N 2 2 282.392 0.395 20 0 CCADLP COCc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)o1 ZINC000268812317 132070289 /nfs/dbraw/zinc/07/02/89/132070289.db2.gz UQMMQSWSSOWWOO-LBPRGKRZSA-N 2 2 268.357 0.972 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cnccn1 ZINC000268920885 132088739 /nfs/dbraw/zinc/08/87/39/132088739.db2.gz OUWFQMKMLUXLSP-YPMHNXCESA-N 2 2 277.372 0.467 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cnccn1 ZINC000268920885 132088741 /nfs/dbraw/zinc/08/87/41/132088741.db2.gz OUWFQMKMLUXLSP-YPMHNXCESA-N 2 2 277.372 0.467 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)c[nH+]1 ZINC000269223761 132135304 /nfs/dbraw/zinc/13/53/04/132135304.db2.gz BZIHNLCJSAIDPJ-RYUDHWBXSA-N 2 2 262.357 0.891 20 0 CCADLP O=C(C[NH2+]C[C@H]1CCCO1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000269245247 132141194 /nfs/dbraw/zinc/14/11/94/132141194.db2.gz MBHSCAJAQKLHPG-QWHCGFSZSA-N 2 2 292.383 0.884 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)C[C@H]3C[NH2+]CCO3)cn21 ZINC000269264496 132145935 /nfs/dbraw/zinc/14/59/35/132145935.db2.gz ONGQEPCCJUNWCT-ZDUSSCGKSA-N 2 2 288.351 0.637 20 0 CCADLP CN(C)c1cc(NC(=O)[C@@H]2COCC[NH2+]2)cc[nH+]1 ZINC000269274105 132148034 /nfs/dbraw/zinc/14/80/34/132148034.db2.gz VIBZGNJUGNIAAS-JTQLQIEISA-N 2 2 250.302 0.075 20 0 CCADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CC(=O)N(C)C3)n2c1 ZINC000269343968 132158004 /nfs/dbraw/zinc/15/80/04/132158004.db2.gz HGMDLHYSCCUNFL-NSHDSACASA-N 2 2 258.325 0.963 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)Cn1cncn1 ZINC000657867268 413069659 /nfs/dbraw/zinc/06/96/59/413069659.db2.gz FFHGSLAAQLEPEG-CHWSQXEVSA-N 2 2 267.377 0.367 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)Cn1cncn1 ZINC000657867268 413069665 /nfs/dbraw/zinc/06/96/65/413069665.db2.gz FFHGSLAAQLEPEG-CHWSQXEVSA-N 2 2 267.377 0.367 20 0 CCADLP O=C(N[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21)[C@@H]1CCCc2[nH+]ccn21 ZINC000960283542 649853011 /nfs/dbraw/zinc/85/30/11/649853011.db2.gz SMVPRCDXOKFVRX-KZVDOYCCSA-N 2 2 292.358 0.776 20 0 CCADLP O=C(N[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21)[C@@H]1CCCc2[nH+]ccn21 ZINC000960283542 649853012 /nfs/dbraw/zinc/85/30/12/649853012.db2.gz SMVPRCDXOKFVRX-KZVDOYCCSA-N 2 2 292.358 0.776 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCCn1cc[nH+]c1 ZINC000357022145 144051818 /nfs/dbraw/zinc/05/18/18/144051818.db2.gz BAWLXTWJRBIRCX-LBPRGKRZSA-N 2 2 267.377 0.911 20 0 CCADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCCn1cc[nH+]c1 ZINC000357022145 144051819 /nfs/dbraw/zinc/05/18/19/144051819.db2.gz BAWLXTWJRBIRCX-LBPRGKRZSA-N 2 2 267.377 0.911 20 0 CCADLP [NH3+]CCOCC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000357065448 144055943 /nfs/dbraw/zinc/05/59/43/144055943.db2.gz AQCNDMABFYDWJF-CQSZACIVSA-N 3 2 271.405 0.006 20 0 CCADLP [NH3+]CCOCC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000357065448 144055944 /nfs/dbraw/zinc/05/59/44/144055944.db2.gz AQCNDMABFYDWJF-CQSZACIVSA-N 3 2 271.405 0.006 20 0 CCADLP c1nc2cnccn2c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357105879 144061015 /nfs/dbraw/zinc/06/10/15/144061015.db2.gz OFSKHBQWQCHPRM-VXGBXAGGSA-N 2 2 257.341 0.771 20 0 CCADLP c1nc2cnccn2c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357105879 144061016 /nfs/dbraw/zinc/06/10/16/144061016.db2.gz OFSKHBQWQCHPRM-VXGBXAGGSA-N 2 2 257.341 0.771 20 0 CCADLP C[C@H](CNC(=O)C[C@@H]1COCC[NH2+]1)Cn1cc[nH+]c1 ZINC000357206053 144069522 /nfs/dbraw/zinc/06/95/22/144069522.db2.gz WHTNDSGTSNOFSY-VXGBXAGGSA-N 2 2 266.345 0.014 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000357883647 144129451 /nfs/dbraw/zinc/12/94/51/144129451.db2.gz UPZPBQUMZCXYSL-YMAMQOFZSA-N 2 2 295.427 0.840 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000357883647 144129454 /nfs/dbraw/zinc/12/94/54/144129454.db2.gz UPZPBQUMZCXYSL-YMAMQOFZSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@H](NC(=O)[C@H](C)[NH+]1CCOCC1)C1=CC[N@H+](C)CC1 ZINC000357906484 144131715 /nfs/dbraw/zinc/13/17/15/144131715.db2.gz LJBQPJIHPIZZIO-STQMWFEESA-N 2 2 281.400 0.474 20 0 CCADLP C[C@H](NC(=O)[C@H](C)[NH+]1CCOCC1)C1=CC[N@@H+](C)CC1 ZINC000357906484 144131716 /nfs/dbraw/zinc/13/17/16/144131716.db2.gz LJBQPJIHPIZZIO-STQMWFEESA-N 2 2 281.400 0.474 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000357978186 144139600 /nfs/dbraw/zinc/13/96/00/144139600.db2.gz STOZMMBVSQRROR-UHFFFAOYSA-N 2 2 295.387 0.330 20 0 CCADLP C[C@@H](CC[NH+]1CCOCC1)NC(=O)CCn1cc[nH+]c1 ZINC000358067810 144148606 /nfs/dbraw/zinc/14/86/06/144148606.db2.gz PWVIQUNFFCOQNN-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP CN(CCC[NH3+])Cc1cn(CCCn2cc[nH+]c2)nn1 ZINC000380904105 397483168 /nfs/dbraw/zinc/48/31/68/397483168.db2.gz HTQBMTPDBZMJAS-UHFFFAOYSA-N 2 2 277.376 0.346 20 0 CCADLP Cn1cc(-c2ncc(C[NH2+]CCC[NH+](C)C)cn2)cn1 ZINC000368440450 144225328 /nfs/dbraw/zinc/22/53/28/144225328.db2.gz DGIUTSLAOBUSEB-UHFFFAOYSA-N 2 2 274.372 0.918 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccn[nH]3)C2)CC1 ZINC000369278473 144262438 /nfs/dbraw/zinc/26/24/38/144262438.db2.gz RCVXSSRWLLUORJ-NSHDSACASA-N 2 2 277.372 0.308 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccn[nH]3)C2)CC1 ZINC000369278473 144262439 /nfs/dbraw/zinc/26/24/39/144262439.db2.gz RCVXSSRWLLUORJ-NSHDSACASA-N 2 2 277.372 0.308 20 0 CCADLP C[C@H](CCO)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369521568 144271667 /nfs/dbraw/zinc/27/16/67/144271667.db2.gz LUMTUZFEYQNNDK-OLZOCXBDSA-N 2 2 298.431 0.225 20 0 CCADLP C[C@H](CCO)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369521568 144271668 /nfs/dbraw/zinc/27/16/68/144271668.db2.gz LUMTUZFEYQNNDK-OLZOCXBDSA-N 2 2 298.431 0.225 20 0 CCADLP Cn1c[nH+]cc1CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000370226366 144294553 /nfs/dbraw/zinc/29/45/53/144294553.db2.gz AHOWQMDVXAIQCW-ZIAGYGMSSA-N 2 2 264.373 0.451 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000371317182 144326806 /nfs/dbraw/zinc/32/68/06/144326806.db2.gz OSYCPQWCHQAVBI-CHWSQXEVSA-N 2 2 290.367 0.797 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000371317182 144326808 /nfs/dbraw/zinc/32/68/08/144326808.db2.gz OSYCPQWCHQAVBI-CHWSQXEVSA-N 2 2 290.367 0.797 20 0 CCADLP CCC[C@@H](C[NH2+]CC(=O)N1CC[NH+](C)CC1)OC ZINC000386260275 397501695 /nfs/dbraw/zinc/50/16/95/397501695.db2.gz UYFOJEONKWFSHO-LBPRGKRZSA-N 2 2 257.378 0.165 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CC[NH+]2CCC[C@@H]2C1)C1CC1 ZINC000389106423 397508524 /nfs/dbraw/zinc/50/85/24/397508524.db2.gz KBRZCEQVECDODR-BPLDGKMQSA-N 3 2 267.417 0.658 20 0 CCADLP C[NH+](C[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000389106423 397508536 /nfs/dbraw/zinc/50/85/36/397508536.db2.gz KBRZCEQVECDODR-BPLDGKMQSA-N 3 2 267.417 0.658 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](CCOC2CCC2)CC1=O ZINC000649684960 397655110 /nfs/dbraw/zinc/65/51/10/397655110.db2.gz JBNKXSRARKBQIW-UHFFFAOYSA-N 2 2 269.389 0.261 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](CCOC2CCC2)CC1=O ZINC000649684960 397655112 /nfs/dbraw/zinc/65/51/12/397655112.db2.gz JBNKXSRARKBQIW-UHFFFAOYSA-N 2 2 269.389 0.261 20 0 CCADLP Cc1cc(CN2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)no1 ZINC000649411028 397606030 /nfs/dbraw/zinc/60/60/30/397606030.db2.gz FDCJVLSLNZFACL-CYBMUJFWSA-N 2 2 264.373 0.710 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](Cc2cccs2)CC1=O ZINC000649686051 397656366 /nfs/dbraw/zinc/65/63/66/397656366.db2.gz WQVQDJQTBPCJQS-UHFFFAOYSA-N 2 2 267.398 0.954 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](Cc2cccs2)CC1=O ZINC000649686051 397656369 /nfs/dbraw/zinc/65/63/69/397656369.db2.gz WQVQDJQTBPCJQS-UHFFFAOYSA-N 2 2 267.398 0.954 20 0 CCADLP C(CC1CC[NH2+]CC1)[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000650761497 397754354 /nfs/dbraw/zinc/75/43/54/397754354.db2.gz AKXBNLRRJFZTKR-LSDHHAIUSA-N 3 2 267.417 0.733 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@H](OC(F)F)C1)C1CC1 ZINC000685584028 545841657 /nfs/dbraw/zinc/84/16/57/545841657.db2.gz YHARLQSXYRPJOT-QWRGUYRKSA-N 2 2 264.316 0.755 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H](OC(F)F)C1)C1CC1 ZINC000685584028 545841661 /nfs/dbraw/zinc/84/16/61/545841661.db2.gz YHARLQSXYRPJOT-QWRGUYRKSA-N 2 2 264.316 0.755 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H](OC(F)F)C1)C1CC1 ZINC000685584028 545841664 /nfs/dbraw/zinc/84/16/64/545841664.db2.gz YHARLQSXYRPJOT-QWRGUYRKSA-N 2 2 264.316 0.755 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@H](OC(F)F)C1)C1CC1 ZINC000685584028 545841667 /nfs/dbraw/zinc/84/16/67/545841667.db2.gz YHARLQSXYRPJOT-QWRGUYRKSA-N 2 2 264.316 0.755 20 0 CCADLP COCCn1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cn1 ZINC000547642374 285962905 /nfs/dbraw/zinc/96/29/05/285962905.db2.gz BSTBNFWRVWUVRY-ZDUSSCGKSA-N 2 2 275.356 0.831 20 0 CCADLP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000548122087 286007915 /nfs/dbraw/zinc/00/79/15/286007915.db2.gz OILNNWPOGSSMEI-CHWSQXEVSA-N 2 2 285.432 0.990 20 0 CCADLP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000548122087 286007916 /nfs/dbraw/zinc/00/79/16/286007916.db2.gz OILNNWPOGSSMEI-CHWSQXEVSA-N 2 2 285.432 0.990 20 0 CCADLP CCOCC[N@H+](C)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000495914089 286075810 /nfs/dbraw/zinc/07/58/10/286075810.db2.gz RVHPRJXYTVHUCG-HNNXBMFYSA-N 2 2 297.399 0.829 20 0 CCADLP CCOCC[N@@H+](C)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000495914089 286075811 /nfs/dbraw/zinc/07/58/11/286075811.db2.gz RVHPRJXYTVHUCG-HNNXBMFYSA-N 2 2 297.399 0.829 20 0 CCADLP Cc1nc(N)c(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c[nH+]1 ZINC000552018393 286147704 /nfs/dbraw/zinc/14/77/04/286147704.db2.gz NLCFAILDSDWLAN-ONGXEEELSA-N 2 2 277.372 0.544 20 0 CCADLP Cc1nc(N)c(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c[nH+]1 ZINC000552018393 286147705 /nfs/dbraw/zinc/14/77/05/286147705.db2.gz NLCFAILDSDWLAN-ONGXEEELSA-N 2 2 277.372 0.544 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000552981485 286177085 /nfs/dbraw/zinc/17/70/85/286177085.db2.gz SZKQQOZHYSGAIX-CHWSQXEVSA-N 2 2 269.389 0.164 20 0 CCADLP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422850707 286443210 /nfs/dbraw/zinc/44/32/10/286443210.db2.gz DITWGKKOZGETII-OWCLPIDISA-N 3 2 299.459 0.700 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)[C@H](n2cncn2)C1 ZINC000333852650 296734166 /nfs/dbraw/zinc/73/41/66/296734166.db2.gz QHAUIMRDOPXJCM-ZOBORPQBSA-N 2 2 279.388 0.586 20 0 CCADLP CC(C)OC[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000659320769 413406234 /nfs/dbraw/zinc/40/62/34/413406234.db2.gz KTCYYCWOHBVOQD-STQMWFEESA-N 2 2 271.405 0.537 20 0 CCADLP CC(C)OC[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000659320769 413406240 /nfs/dbraw/zinc/40/62/40/413406240.db2.gz KTCYYCWOHBVOQD-STQMWFEESA-N 2 2 271.405 0.537 20 0 CCADLP CC(C)[NH2+]CC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000659330048 413419794 /nfs/dbraw/zinc/41/97/94/413419794.db2.gz ONOJDDXGZSJQTJ-UPJWGTAASA-N 2 2 271.405 0.598 20 0 CCADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000423483557 286864204 /nfs/dbraw/zinc/86/42/04/286864204.db2.gz XYYSQKVJXABAJG-CMPLNLGQSA-N 2 2 285.413 0.983 20 0 CCADLP C[C@@H]([NH2+]CCN1CCOCC1(C)C)[C@H]1CCC[NH2+]1 ZINC000422717611 287027736 /nfs/dbraw/zinc/02/77/36/287027736.db2.gz VSKDFJBEBYMLFW-CHWSQXEVSA-N 2 2 255.406 0.827 20 0 CCADLP C[C@@H](NCC[N@@H+]1CCOCC1(C)C)[C@H]1CCC[NH2+]1 ZINC000422717611 287027739 /nfs/dbraw/zinc/02/77/39/287027739.db2.gz VSKDFJBEBYMLFW-CHWSQXEVSA-N 2 2 255.406 0.827 20 0 CCADLP C[C@@H](NCC[N@H+]1CCOCC1(C)C)[C@H]1CCC[NH2+]1 ZINC000422717611 287027740 /nfs/dbraw/zinc/02/77/40/287027740.db2.gz VSKDFJBEBYMLFW-CHWSQXEVSA-N 2 2 255.406 0.827 20 0 CCADLP C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1CCC[NH2+]1 ZINC000422954426 287069546 /nfs/dbraw/zinc/06/95/46/287069546.db2.gz HMVDKKGXCZLSOL-UTLUCORTSA-N 2 2 279.306 0.880 20 0 CCADLP Cc1ccc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)o1 ZINC000049948525 411676453 /nfs/dbraw/zinc/67/64/53/411676453.db2.gz OTAGNRSOYNVHES-UHFFFAOYSA-N 2 2 251.330 0.452 20 0 CCADLP CNC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000133787652 411729815 /nfs/dbraw/zinc/72/98/15/411729815.db2.gz FQRFDRZZVGVZOK-XQQFMLRXSA-N 2 2 271.405 0.504 20 0 CCADLP Cc1nc(C)c(C[NH2+]C[C@H](O)C[NH+]2CCCC2)o1 ZINC000311871642 411752309 /nfs/dbraw/zinc/75/23/09/411752309.db2.gz UNNTVNKFFVXXPL-LBPRGKRZSA-N 2 2 253.346 0.838 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](OC(C)C)C1 ZINC000404496815 411795155 /nfs/dbraw/zinc/79/51/55/411795155.db2.gz VSUXQBNFHLBSPU-CABCVRRESA-N 2 2 288.432 0.815 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](OC(C)C)C1 ZINC000404496815 411795158 /nfs/dbraw/zinc/79/51/58/411795158.db2.gz VSUXQBNFHLBSPU-CABCVRRESA-N 2 2 288.432 0.815 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](OC(C)C)C1 ZINC000404496815 411795165 /nfs/dbraw/zinc/79/51/65/411795165.db2.gz VSUXQBNFHLBSPU-CABCVRRESA-N 2 2 288.432 0.815 20 0 CCADLP CCO[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)C[C@H]1C[NH3+] ZINC000405226379 411799205 /nfs/dbraw/zinc/79/92/05/411799205.db2.gz SUBVQZNTFBDSPL-ZIAGYGMSSA-N 2 2 283.416 0.685 20 0 CCADLP CCO[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)C[C@H]1C[NH3+] ZINC000405226379 411799212 /nfs/dbraw/zinc/79/92/12/411799212.db2.gz SUBVQZNTFBDSPL-ZIAGYGMSSA-N 2 2 283.416 0.685 20 0 CCADLP CCO[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1C[NH3+] ZINC000405848827 411803522 /nfs/dbraw/zinc/80/35/22/411803522.db2.gz IRBHFCYLSSBASL-GHMZBOCLSA-N 2 2 257.378 0.197 20 0 CCADLP CCO[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1C[NH3+] ZINC000405848827 411803527 /nfs/dbraw/zinc/80/35/27/411803527.db2.gz IRBHFCYLSSBASL-GHMZBOCLSA-N 2 2 257.378 0.197 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407308179 411805946 /nfs/dbraw/zinc/80/59/46/411805946.db2.gz FRJVBXHHASEYDT-KGYLQXTDSA-N 2 2 262.357 0.918 20 0 CCADLP C[NH+](C)CCN1CCN(c2[nH]c3ccccc3[nH+]2)CC1=O ZINC000651383973 411858176 /nfs/dbraw/zinc/85/81/76/411858176.db2.gz XGXPTQXOCMICDB-UHFFFAOYSA-N 2 2 287.367 0.773 20 0 CCADLP C[C@H](CCCCO)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000651382143 411858659 /nfs/dbraw/zinc/85/86/59/411858659.db2.gz PNCOASLWZYBNGD-ZIAGYGMSSA-N 2 2 258.406 0.974 20 0 CCADLP C[C@H](CCCCO)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000651382143 411858664 /nfs/dbraw/zinc/85/86/64/411858664.db2.gz PNCOASLWZYBNGD-ZIAGYGMSSA-N 2 2 258.406 0.974 20 0 CCADLP CCO[C@@H]1CN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@H]1C[NH3+] ZINC000652355882 412035479 /nfs/dbraw/zinc/03/54/79/412035479.db2.gz KRVVISPBKVRDFG-APIJFGDWSA-N 2 2 283.416 0.145 20 0 CCADLP CCO[C@@H]1CN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@H]1C[NH3+] ZINC000652355882 412035484 /nfs/dbraw/zinc/03/54/84/412035484.db2.gz KRVVISPBKVRDFG-APIJFGDWSA-N 2 2 283.416 0.145 20 0 CCADLP CCO[C@@H]1C[N@H+](CC(=O)NCC2CCC2)C[C@H]1C[NH3+] ZINC000652357046 412038201 /nfs/dbraw/zinc/03/82/01/412038201.db2.gz YVHLJUFAMMTMGA-CHWSQXEVSA-N 2 2 269.389 0.198 20 0 CCADLP CCO[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)C[C@H]1C[NH3+] ZINC000652357046 412038204 /nfs/dbraw/zinc/03/82/04/412038204.db2.gz YVHLJUFAMMTMGA-CHWSQXEVSA-N 2 2 269.389 0.198 20 0 CCADLP CC(=O)NCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000020358494 171157705 /nfs/dbraw/zinc/15/77/05/171157705.db2.gz ZCKFSFAVKLNNJQ-HNNXBMFYSA-N 2 2 261.369 0.987 20 0 CCADLP CC(=O)NCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000020358494 171157707 /nfs/dbraw/zinc/15/77/07/171157707.db2.gz ZCKFSFAVKLNNJQ-HNNXBMFYSA-N 2 2 261.369 0.987 20 0 CCADLP CN1C(=O)N[C@@H]2C[N@@H+](Cc3cccc4[nH+]ccn43)CC[C@@H]21 ZINC000284772388 196128758 /nfs/dbraw/zinc/12/87/58/196128758.db2.gz JVCWUKOEZNVUJJ-OLZOCXBDSA-N 2 2 285.351 0.932 20 0 CCADLP CN1C(=O)N[C@@H]2C[N@H+](Cc3cccc4[nH+]ccn43)CC[C@@H]21 ZINC000284772388 196128759 /nfs/dbraw/zinc/12/87/59/196128759.db2.gz JVCWUKOEZNVUJJ-OLZOCXBDSA-N 2 2 285.351 0.932 20 0 CCADLP COC1CCC(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653092076 412215292 /nfs/dbraw/zinc/21/52/92/412215292.db2.gz QRUMIMRHVRXOTO-WXRRBKDZSA-N 2 2 271.405 0.587 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000653048518 412201542 /nfs/dbraw/zinc/20/15/42/412201542.db2.gz GDDAZNSSNKBRTR-ZDUSSCGKSA-N 3 2 276.384 0.402 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1nc2ccccc2[nH]1 ZINC000653056163 412204393 /nfs/dbraw/zinc/20/43/93/412204393.db2.gz WHOHRTNOXLEIFN-SECBINFHSA-N 2 2 261.329 0.780 20 0 CCADLP CC[C@@H]1CO[C@@H](C)CN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653058668 412206083 /nfs/dbraw/zinc/20/60/83/412206083.db2.gz BALJXZXRQRBVSA-TUAOUCFPSA-N 2 2 257.378 0.291 20 0 CCADLP CCNC(=O)c1cccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000653059806 412206252 /nfs/dbraw/zinc/20/62/52/412206252.db2.gz NVLXQNXUYOENPH-CYBMUJFWSA-N 2 2 292.383 0.654 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000653064072 412207034 /nfs/dbraw/zinc/20/70/34/412207034.db2.gz FCKIXWVRGGYMCI-ZDUSSCGKSA-N 2 2 287.367 0.512 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCOc1ccc(F)cc1 ZINC000653068820 412207518 /nfs/dbraw/zinc/20/75/18/412207518.db2.gz SCKHCKMIYKQXGU-ZDUSSCGKSA-N 2 2 283.347 0.600 20 0 CCADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653070223 412208402 /nfs/dbraw/zinc/20/84/02/412208402.db2.gz OICAFSBNNQXZKL-RDBSUJKOSA-N 2 2 285.432 0.977 20 0 CCADLP CCC(CC)N(CCOC)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653071690 412208533 /nfs/dbraw/zinc/20/85/33/412208533.db2.gz PNBXGHOBEXYWML-ZDUSSCGKSA-N 2 2 273.421 0.929 20 0 CCADLP C[C@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC(C)(C)O1 ZINC000653077986 412209489 /nfs/dbraw/zinc/20/94/89/412209489.db2.gz QSUUIQQHIZDREO-WDEREUQCSA-N 2 2 257.378 0.291 20 0 CCADLP COCCOc1ccccc1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653078361 412209630 /nfs/dbraw/zinc/20/96/30/412209630.db2.gz AGGOPRKGCWGYOG-GFCCVEGCSA-N 2 2 295.383 0.929 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCOC1CCCC1 ZINC000653074663 412209770 /nfs/dbraw/zinc/20/97/70/412209770.db2.gz QMDHDDHVASBOAM-GFCCVEGCSA-N 2 2 257.378 0.341 20 0 CCADLP CCCNC(=O)[C@@H]1CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653082805 412213273 /nfs/dbraw/zinc/21/32/73/412213273.db2.gz FHFNELSQECRCBS-CHWSQXEVSA-N 2 2 298.431 0.030 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@@H](C)CO1 ZINC000653203508 412259346 /nfs/dbraw/zinc/25/93/46/412259346.db2.gz PCPHAQXBIGWIDJ-QJPTWQEYSA-N 2 2 257.378 0.291 20 0 CCADLP CO[C@@H](C)CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C(C)C ZINC000653094995 412216360 /nfs/dbraw/zinc/21/63/60/412216360.db2.gz XNODXLUCUIXWRV-RYUDHWBXSA-N 2 2 259.394 0.537 20 0 CCADLP COc1cc(C)ccc1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653098794 412216856 /nfs/dbraw/zinc/21/68/56/412216856.db2.gz YFVKPSPXOYCSOQ-ZDUSSCGKSA-N 2 2 279.384 0.899 20 0 CCADLP CC[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CCOCC1 ZINC000653099445 412218298 /nfs/dbraw/zinc/21/82/98/412218298.db2.gz QVQGWRVZHPXRPR-STQMWFEESA-N 2 2 271.405 0.587 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000653108183 412221850 /nfs/dbraw/zinc/22/18/50/412221850.db2.gz LVJCVWBTBATPRO-CQSZACIVSA-N 3 2 282.432 0.352 20 0 CCADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653110374 412222538 /nfs/dbraw/zinc/22/25/38/412222538.db2.gz GAQWBUZBZMHVHK-CABCVRRESA-N 3 2 298.475 0.894 20 0 CCADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653110374 412222541 /nfs/dbraw/zinc/22/25/41/412222541.db2.gz GAQWBUZBZMHVHK-CABCVRRESA-N 3 2 298.475 0.894 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000653111126 412223334 /nfs/dbraw/zinc/22/33/34/412223334.db2.gz FLUPWQAQTYDJGN-RWMBFGLXSA-N 3 2 268.405 0.008 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000653111126 412223336 /nfs/dbraw/zinc/22/33/36/412223336.db2.gz FLUPWQAQTYDJGN-RWMBFGLXSA-N 3 2 268.405 0.008 20 0 CCADLP CCC[NH+]1CCC(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653112391 412223391 /nfs/dbraw/zinc/22/33/91/412223391.db2.gz XNCACJRNRVDJAD-CQSZACIVSA-N 3 2 284.448 0.504 20 0 CCADLP C[C@@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)C[NH+]1CCCC1 ZINC000653111113 412224068 /nfs/dbraw/zinc/22/40/68/412224068.db2.gz FDQRNKZLAOYARJ-QWHCGFSZSA-N 3 2 270.421 0.114 20 0 CCADLP CCC[NH+]1CCC(N(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653112064 412224185 /nfs/dbraw/zinc/22/41/85/412224185.db2.gz KUHFJQGOAIOJOV-AWEZNQCLSA-N 3 2 284.448 0.598 20 0 CCADLP C[C@@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)C[NH+]1CCCCC1 ZINC000653111932 412224575 /nfs/dbraw/zinc/22/45/75/412224575.db2.gz GZOMOJPWICACRD-UONOGXRCSA-N 3 2 284.448 0.504 20 0 CCADLP Cc1ccc(CCNC(=O)[C@H]([NH3+])CC[NH+](C)C)cn1 ZINC000653114561 412225676 /nfs/dbraw/zinc/22/56/76/412225676.db2.gz MNOADIOVDDCYOL-CYBMUJFWSA-N 2 2 264.373 0.328 20 0 CCADLP CCc1nc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)cs1 ZINC000653118365 412228492 /nfs/dbraw/zinc/22/84/92/412228492.db2.gz JRIAWFFRPJMLCB-JTQLQIEISA-N 2 2 270.402 0.601 20 0 CCADLP CCc1cnc(CN(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)s1 ZINC000653123312 412232551 /nfs/dbraw/zinc/23/25/51/412232551.db2.gz UVMDFTCFGPSMBW-LLVKDONJSA-N 2 2 284.429 0.943 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C[N@@H+]1C1CC1 ZINC000653123702 412232792 /nfs/dbraw/zinc/23/27/92/412232792.db2.gz DQEPMULRJTYNLP-WZRBSPASSA-N 3 2 268.405 0.007 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C[N@H+]1C1CC1 ZINC000653123702 412232795 /nfs/dbraw/zinc/23/27/95/412232795.db2.gz DQEPMULRJTYNLP-WZRBSPASSA-N 3 2 268.405 0.007 20 0 CCADLP Cc1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c(O)c1 ZINC000653148010 412241736 /nfs/dbraw/zinc/24/17/36/412241736.db2.gz KJNRFBHWLOYUKX-SNVBAGLBSA-N 2 2 251.330 0.918 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCCc1ccccn1 ZINC000653151662 412243116 /nfs/dbraw/zinc/24/31/16/412243116.db2.gz NMQYUHNVUDDFNY-ZDUSSCGKSA-N 2 2 264.373 0.409 20 0 CCADLP C[C@H](CN(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C)c1nccs1 ZINC000653151703 412243384 /nfs/dbraw/zinc/24/33/84/412243384.db2.gz PJVXTLGOQHQTSB-MNOVXSKESA-N 2 2 284.429 0.984 20 0 CCADLP CN(C)c1cccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)n1 ZINC000653154141 412244872 /nfs/dbraw/zinc/24/48/72/412244872.db2.gz JRUHXFQLZHFQKO-GFCCVEGCSA-N 2 2 279.388 0.043 20 0 CCADLP Cc1cnc(CCN(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)s1 ZINC000653152972 412245604 /nfs/dbraw/zinc/24/56/04/412245604.db2.gz DEFZZBMICBDBSN-LLVKDONJSA-N 2 2 284.429 0.731 20 0 CCADLP Cn1c(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)nc2cccnc21 ZINC000653160072 412246780 /nfs/dbraw/zinc/24/67/80/412246780.db2.gz XCGQVMBHGCCMJP-VIFPVBQESA-N 2 2 276.344 0.186 20 0 CCADLP CC(C)[C@@H](O)C(C)(C)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653157751 412247386 /nfs/dbraw/zinc/24/73/86/412247386.db2.gz LCNZPTUCFXHVEW-NWDGAFQWSA-N 2 2 273.421 0.425 20 0 CCADLP C[C@@H]1C(=O)N(C)CC[N@H+]1CCCc1c[nH+]cn1C ZINC000653624213 412326630 /nfs/dbraw/zinc/32/66/30/412326630.db2.gz FZPNDIZUCMBAFO-LLVKDONJSA-N 2 2 250.346 0.515 20 0 CCADLP C[C@@H]1C(=O)N(C)CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000653624213 412326633 /nfs/dbraw/zinc/32/66/33/412326633.db2.gz FZPNDIZUCMBAFO-LLVKDONJSA-N 2 2 250.346 0.515 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@]2(C1)CCCOC2 ZINC000653664962 412332677 /nfs/dbraw/zinc/33/26/77/412332677.db2.gz DSJHLEUDJKEINB-GJZGRUSLSA-N 2 2 286.416 0.428 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@]2(C1)CCCOC2 ZINC000653664962 412332678 /nfs/dbraw/zinc/33/26/78/412332678.db2.gz DSJHLEUDJKEINB-GJZGRUSLSA-N 2 2 286.416 0.428 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000653664962 412332680 /nfs/dbraw/zinc/33/26/80/412332680.db2.gz DSJHLEUDJKEINB-GJZGRUSLSA-N 2 2 286.416 0.428 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000653664962 412332681 /nfs/dbraw/zinc/33/26/81/412332681.db2.gz DSJHLEUDJKEINB-GJZGRUSLSA-N 2 2 286.416 0.428 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@](C)(CO)c1cccc(O)c1 ZINC000653677613 412334975 /nfs/dbraw/zinc/33/49/75/412334975.db2.gz ZFXQHSHSKIRMPK-LSDHHAIUSA-N 2 2 282.384 0.502 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@](C)(CO)c1cccc(O)c1 ZINC000653677613 412334977 /nfs/dbraw/zinc/33/49/77/412334977.db2.gz ZFXQHSHSKIRMPK-LSDHHAIUSA-N 2 2 282.384 0.502 20 0 CCADLP CC[NH+]1CCN(CCC(=O)NC2C[NH+](C(C)C)C2)CC1 ZINC000655052325 412468335 /nfs/dbraw/zinc/46/83/35/412468335.db2.gz MYVFMFKRWMGEQF-UHFFFAOYSA-N 2 2 282.432 0.223 20 0 CCADLP CCN1CC[NH+](CCC(=O)NC2C[NH+](C(C)C)C2)CC1 ZINC000655052325 412468336 /nfs/dbraw/zinc/46/83/36/412468336.db2.gz MYVFMFKRWMGEQF-UHFFFAOYSA-N 2 2 282.432 0.223 20 0 CCADLP C[C@H](C(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1)[NH+]1CC(C)C1 ZINC000655065269 412472460 /nfs/dbraw/zinc/47/24/60/412472460.db2.gz HROXUJBNBVHKMQ-MGPQQGTHSA-N 2 2 281.400 0.258 20 0 CCADLP C[C@H](C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1)[NH+]1CC(C)C1 ZINC000655065269 412472463 /nfs/dbraw/zinc/47/24/63/412472463.db2.gz HROXUJBNBVHKMQ-MGPQQGTHSA-N 2 2 281.400 0.258 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000659460422 413520614 /nfs/dbraw/zinc/52/06/14/413520614.db2.gz VNCLQTHYRHFSHA-NSHDSACASA-N 2 2 265.361 0.700 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)NCC2([NH3+])CCCC2)c1 ZINC000659503298 413557677 /nfs/dbraw/zinc/55/76/77/413557677.db2.gz PVVCSMGLKUVFLA-UHFFFAOYSA-N 2 2 265.361 0.533 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659556812 413652118 /nfs/dbraw/zinc/65/21/18/413652118.db2.gz VNVWKYXKXVWKIJ-AVGNSLFASA-N 2 2 284.404 0.228 20 0 CCADLP O=C(NCC1=CC[NH2+]CC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659532833 413614623 /nfs/dbraw/zinc/61/46/23/413614623.db2.gz SJNLXTSKHMMMGO-CQSZACIVSA-N 2 2 294.399 0.022 20 0 CCADLP C[NH2+]C[C@H]1CCCN1C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000659627694 413725749 /nfs/dbraw/zinc/72/57/49/413725749.db2.gz HYLGFRYHCPMDAV-GHMZBOCLSA-N 2 2 265.361 0.875 20 0 CCADLP C[C@H](NC(=O)N1CC[NH2+]C[C@@](C)(F)C1)c1[nH+]ccn1C ZINC000659629043 413726070 /nfs/dbraw/zinc/72/60/70/413726070.db2.gz TZQSMNIDFYIIHB-GXFFZTMASA-N 2 2 283.351 0.824 20 0 CCADLP Cc1cc(C[NH+]2CCN(C(=O)C[NH+](C)C)CC2)nc(C)n1 ZINC000659838623 413904024 /nfs/dbraw/zinc/90/40/24/413904024.db2.gz QMRUYKHKRFGMKT-UHFFFAOYSA-N 2 2 291.399 0.299 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](N2CCCC2=O)C1 ZINC000659917548 413967200 /nfs/dbraw/zinc/96/72/00/413967200.db2.gz AWNQMUFYYMEITF-GJZGRUSLSA-N 2 2 297.443 0.774 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](N2CCCC2=O)C1 ZINC000659917548 413967204 /nfs/dbraw/zinc/96/72/04/413967204.db2.gz AWNQMUFYYMEITF-GJZGRUSLSA-N 2 2 297.443 0.774 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000659917548 413967212 /nfs/dbraw/zinc/96/72/12/413967212.db2.gz AWNQMUFYYMEITF-GJZGRUSLSA-N 2 2 297.443 0.774 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000659917548 413967219 /nfs/dbraw/zinc/96/72/19/413967219.db2.gz AWNQMUFYYMEITF-GJZGRUSLSA-N 2 2 297.443 0.774 20 0 CCADLP CC[N@H+](C)C[C@H]1CC[NH+](CCN2C(=O)CN(C)C2=O)C1 ZINC000659989109 414028907 /nfs/dbraw/zinc/02/89/07/414028907.db2.gz BRUWSWLODFDFSO-GFCCVEGCSA-N 2 2 282.388 0.154 20 0 CCADLP CC[N@@H+](C)C[C@H]1CC[NH+](CCN2C(=O)CN(C)C2=O)C1 ZINC000659989109 414028915 /nfs/dbraw/zinc/02/89/15/414028915.db2.gz BRUWSWLODFDFSO-GFCCVEGCSA-N 2 2 282.388 0.154 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000659989109 414028923 /nfs/dbraw/zinc/02/89/23/414028923.db2.gz BRUWSWLODFDFSO-GFCCVEGCSA-N 2 2 282.388 0.154 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000659989109 414028933 /nfs/dbraw/zinc/02/89/33/414028933.db2.gz BRUWSWLODFDFSO-GFCCVEGCSA-N 2 2 282.388 0.154 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](N2CCCC2=O)C1 ZINC000660149319 414162751 /nfs/dbraw/zinc/16/27/51/414162751.db2.gz WWVZJUKAEQEMFN-KBPBESRZSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](N2CCCC2=O)C1 ZINC000660149319 414162754 /nfs/dbraw/zinc/16/27/54/414162754.db2.gz WWVZJUKAEQEMFN-KBPBESRZSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000660149319 414162759 /nfs/dbraw/zinc/16/27/59/414162759.db2.gz WWVZJUKAEQEMFN-KBPBESRZSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000660149319 414162764 /nfs/dbraw/zinc/16/27/64/414162764.db2.gz WWVZJUKAEQEMFN-KBPBESRZSA-N 2 2 283.416 0.384 20 0 CCADLP Cc1nocc1C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000660165928 414174950 /nfs/dbraw/zinc/17/49/50/414174950.db2.gz XGKDSHLHEQDLGY-UHFFFAOYSA-N 2 2 295.383 0.642 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000660345935 414257980 /nfs/dbraw/zinc/25/79/80/414257980.db2.gz PSENHJQQGRHIJO-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000660345935 414257987 /nfs/dbraw/zinc/25/79/87/414257987.db2.gz PSENHJQQGRHIJO-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP FC1(F)C[C@@H]1OCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000660419605 414304180 /nfs/dbraw/zinc/30/41/80/414304180.db2.gz KASQGCDHFRTZHS-JTQLQIEISA-N 2 2 272.299 0.956 20 0 CCADLP CNC(=O)CC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660473142 414345438 /nfs/dbraw/zinc/34/54/38/414345438.db2.gz PDDRMELRFKWMHL-CYBMUJFWSA-N 2 2 269.389 0.309 20 0 CCADLP CNC(=O)CC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660473142 414345446 /nfs/dbraw/zinc/34/54/46/414345446.db2.gz PDDRMELRFKWMHL-CYBMUJFWSA-N 2 2 269.389 0.309 20 0 CCADLP C[C@@H](CO)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660477784 414350812 /nfs/dbraw/zinc/35/08/12/414350812.db2.gz JEGMUNIVWYGRIT-KGLIPLIRSA-N 2 2 256.390 0.802 20 0 CCADLP C[C@@H](CO)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660477784 414350819 /nfs/dbraw/zinc/35/08/19/414350819.db2.gz JEGMUNIVWYGRIT-KGLIPLIRSA-N 2 2 256.390 0.802 20 0 CCADLP CC(C)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@H](O)C(F)(F)F ZINC000660528023 414378596 /nfs/dbraw/zinc/37/85/96/414378596.db2.gz JENKBOAPXCBPEF-SRVKXCTJSA-N 2 2 298.349 0.981 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000660623639 414415639 /nfs/dbraw/zinc/41/56/39/414415639.db2.gz PDINGCFIWKOGQF-OLZOCXBDSA-N 2 2 271.405 0.240 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000660623639 414415644 /nfs/dbraw/zinc/41/56/44/414415644.db2.gz PDINGCFIWKOGQF-OLZOCXBDSA-N 2 2 271.405 0.240 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000660623639 414415650 /nfs/dbraw/zinc/41/56/50/414415650.db2.gz PDINGCFIWKOGQF-OLZOCXBDSA-N 2 2 271.405 0.240 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000660623639 414415658 /nfs/dbraw/zinc/41/56/58/414415658.db2.gz PDINGCFIWKOGQF-OLZOCXBDSA-N 2 2 271.405 0.240 20 0 CCADLP CC(C)C[NH2+]C1(CO)CC[NH+]([C@H](C)C(=O)N(C)C)CC1 ZINC000660692773 414446693 /nfs/dbraw/zinc/44/66/93/414446693.db2.gz RYCPQBSFJSQCMQ-CYBMUJFWSA-N 2 2 285.432 0.536 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](n2cccn2)C1 ZINC000660596322 414405294 /nfs/dbraw/zinc/40/52/94/414405294.db2.gz KFWSNNJKNTUHGN-KGLIPLIRSA-N 2 2 266.389 0.831 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](n2cccn2)C1 ZINC000660596322 414405302 /nfs/dbraw/zinc/40/53/02/414405302.db2.gz KFWSNNJKNTUHGN-KGLIPLIRSA-N 2 2 266.389 0.831 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000660596322 414405307 /nfs/dbraw/zinc/40/53/07/414405307.db2.gz KFWSNNJKNTUHGN-KGLIPLIRSA-N 2 2 266.389 0.831 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000660596322 414405312 /nfs/dbraw/zinc/40/53/12/414405312.db2.gz KFWSNNJKNTUHGN-KGLIPLIRSA-N 2 2 266.389 0.831 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](n2cccn2)C1 ZINC000660596321 414405386 /nfs/dbraw/zinc/40/53/86/414405386.db2.gz KFWSNNJKNTUHGN-KBPBESRZSA-N 2 2 266.389 0.831 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](n2cccn2)C1 ZINC000660596321 414405393 /nfs/dbraw/zinc/40/53/93/414405393.db2.gz KFWSNNJKNTUHGN-KBPBESRZSA-N 2 2 266.389 0.831 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000660596321 414405398 /nfs/dbraw/zinc/40/53/98/414405398.db2.gz KFWSNNJKNTUHGN-KBPBESRZSA-N 2 2 266.389 0.831 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000660596321 414405404 /nfs/dbraw/zinc/40/54/04/414405404.db2.gz KFWSNNJKNTUHGN-KBPBESRZSA-N 2 2 266.389 0.831 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000660848363 414506031 /nfs/dbraw/zinc/50/60/31/414506031.db2.gz HORIBAVJQWWXSZ-SNVBAGLBSA-N 2 2 276.344 0.985 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](Cc2cccc(N)c2)CC1=O ZINC000660915363 414527561 /nfs/dbraw/zinc/52/75/61/414527561.db2.gz ZIDCSQUHKLZSST-UHFFFAOYSA-N 2 2 276.384 0.475 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](Cc2cccc(N)c2)CC1=O ZINC000660915363 414527565 /nfs/dbraw/zinc/52/75/65/414527565.db2.gz ZIDCSQUHKLZSST-UHFFFAOYSA-N 2 2 276.384 0.475 20 0 CCADLP C[C@@H](CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)[NH+](C)C ZINC000661276495 414589108 /nfs/dbraw/zinc/58/91/08/414589108.db2.gz ZBIDOQNQMNYSHL-QWHCGFSZSA-N 2 2 284.404 0.053 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C)[C@@H]1CCO ZINC000661490923 414633177 /nfs/dbraw/zinc/63/31/77/414633177.db2.gz FWRCVHAUDDBDJI-KKUMJFAQSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C)[C@@H]1CCO ZINC000661490923 414633180 /nfs/dbraw/zinc/63/31/80/414633180.db2.gz FWRCVHAUDDBDJI-KKUMJFAQSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](C)[C@@H]1CCO ZINC000661490923 414633184 /nfs/dbraw/zinc/63/31/84/414633184.db2.gz FWRCVHAUDDBDJI-KKUMJFAQSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](C)[C@@H]1CCO ZINC000661490923 414633189 /nfs/dbraw/zinc/63/31/89/414633189.db2.gz FWRCVHAUDDBDJI-KKUMJFAQSA-N 2 2 288.432 0.408 20 0 CCADLP CCC(CC)NC(=O)[C@@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031575 174025839 /nfs/dbraw/zinc/02/58/39/174025839.db2.gz ASMKUIYMPGRGNC-GFCCVEGCSA-N 2 2 298.431 0.043 20 0 CCADLP CCC(CC)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031575 174025841 /nfs/dbraw/zinc/02/58/41/174025841.db2.gz ASMKUIYMPGRGNC-GFCCVEGCSA-N 2 2 298.431 0.043 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC2(CCC2)OC[C@@H]1C ZINC000661464190 414630500 /nfs/dbraw/zinc/63/05/00/414630500.db2.gz ZQRLERVUEDZMOP-KBPBESRZSA-N 2 2 286.416 0.569 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC2(CCC2)OC[C@@H]1C ZINC000661464190 414630502 /nfs/dbraw/zinc/63/05/02/414630502.db2.gz ZQRLERVUEDZMOP-KBPBESRZSA-N 2 2 286.416 0.569 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC2(CCC2)OC[C@@H]1C ZINC000661464190 414630505 /nfs/dbraw/zinc/63/05/05/414630505.db2.gz ZQRLERVUEDZMOP-KBPBESRZSA-N 2 2 286.416 0.569 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC2(CCC2)OC[C@@H]1C ZINC000661464190 414630508 /nfs/dbraw/zinc/63/05/08/414630508.db2.gz ZQRLERVUEDZMOP-KBPBESRZSA-N 2 2 286.416 0.569 20 0 CCADLP CC[NH+]1CCC([NH2+]C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000038082559 174091925 /nfs/dbraw/zinc/09/19/25/174091925.db2.gz GWCDTSCLJGCFGF-LLVKDONJSA-N 2 2 260.403 0.495 20 0 CCADLP C([C@H]1CCCO1)N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662258872 414701189 /nfs/dbraw/zinc/70/11/89/414701189.db2.gz NHFKTDFOFGSXQT-HUUCEWRRSA-N 2 2 295.427 0.304 20 0 CCADLP CN1CC[N@H+](C[C@H]2C[NH2+]CCO2)Cc2ccccc21 ZINC000662262952 414702631 /nfs/dbraw/zinc/70/26/31/414702631.db2.gz YNTSLBBSCRQXDM-CQSZACIVSA-N 2 2 261.369 0.927 20 0 CCADLP CN1CC[N@@H+](C[C@H]2C[NH2+]CCO2)Cc2ccccc21 ZINC000662262952 414702632 /nfs/dbraw/zinc/70/26/32/414702632.db2.gz YNTSLBBSCRQXDM-CQSZACIVSA-N 2 2 261.369 0.927 20 0 CCADLP [NH3+]CC[C@H]1CCC[N@H+](Cc2nnn(CC(F)(F)F)n2)C1 ZINC000662272546 414703627 /nfs/dbraw/zinc/70/36/27/414703627.db2.gz OOYCIHMLSSCHBY-SECBINFHSA-N 2 2 292.309 0.796 20 0 CCADLP [NH3+]CC[C@H]1CCC[N@@H+](Cc2nnn(CC(F)(F)F)n2)C1 ZINC000662272546 414703628 /nfs/dbraw/zinc/70/36/28/414703628.db2.gz OOYCIHMLSSCHBY-SECBINFHSA-N 2 2 292.309 0.796 20 0 CCADLP C[N@H+](CC(=O)NC(=O)NC1CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747006 174392633 /nfs/dbraw/zinc/39/26/33/174392633.db2.gz RCHKLFVHDHWNSH-FOSCPWQOSA-N 2 2 280.372 0.189 20 0 CCADLP C[N@@H+](CC(=O)NC(=O)NC1CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747006 174392635 /nfs/dbraw/zinc/39/26/35/174392635.db2.gz RCHKLFVHDHWNSH-FOSCPWQOSA-N 2 2 280.372 0.189 20 0 CCADLP CNS(=O)(=O)c1ccc(C[N@H+](C)C2(C[NH3+])CCC2)cc1 ZINC000662273794 414704015 /nfs/dbraw/zinc/70/40/15/414704015.db2.gz PFLJMKPQFKFZFF-UHFFFAOYSA-N 2 2 297.424 0.908 20 0 CCADLP CNS(=O)(=O)c1ccc(C[N@@H+](C)C2(C[NH3+])CCC2)cc1 ZINC000662273794 414704016 /nfs/dbraw/zinc/70/40/16/414704016.db2.gz PFLJMKPQFKFZFF-UHFFFAOYSA-N 2 2 297.424 0.908 20 0 CCADLP NS(=O)(=O)c1cc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])co1 ZINC000662274001 414704041 /nfs/dbraw/zinc/70/40/41/414704041.db2.gz RBKMIQQNPVCMCM-LLVKDONJSA-N 2 2 287.385 0.630 20 0 CCADLP NS(=O)(=O)c1cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])co1 ZINC000662274001 414704042 /nfs/dbraw/zinc/70/40/42/414704042.db2.gz RBKMIQQNPVCMCM-LLVKDONJSA-N 2 2 287.385 0.630 20 0 CCADLP NS(=O)(=O)c1cc(C[N@@H+]2CCCC[C@H]2CC[NH3+])co1 ZINC000662274002 414704092 /nfs/dbraw/zinc/70/40/92/414704092.db2.gz RBKMIQQNPVCMCM-NSHDSACASA-N 2 2 287.385 0.630 20 0 CCADLP NS(=O)(=O)c1cc(C[N@H+]2CCCC[C@H]2CC[NH3+])co1 ZINC000662274002 414704093 /nfs/dbraw/zinc/70/40/93/414704093.db2.gz RBKMIQQNPVCMCM-NSHDSACASA-N 2 2 287.385 0.630 20 0 CCADLP CC1(C)CCC(C[N@H+](CC[NH3+])C[C@@H](O)CO)CC1 ZINC000662287711 414706572 /nfs/dbraw/zinc/70/65/72/414706572.db2.gz HIFMAZDLOBWCRR-CYBMUJFWSA-N 2 2 258.406 0.817 20 0 CCADLP CC1(C)CCC(C[N@@H+](CC[NH3+])C[C@@H](O)CO)CC1 ZINC000662287711 414706573 /nfs/dbraw/zinc/70/65/73/414706573.db2.gz HIFMAZDLOBWCRR-CYBMUJFWSA-N 2 2 258.406 0.817 20 0 CCADLP OCC1([NH2+]Cc2ccncc2Cl)CC[NH2+]CC1 ZINC000662285942 414706865 /nfs/dbraw/zinc/70/68/65/414706865.db2.gz BLMZNPJUFHTHEL-UHFFFAOYSA-N 2 2 255.749 0.939 20 0 CCADLP C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662286625 414706947 /nfs/dbraw/zinc/70/69/47/414706947.db2.gz UBCCHIHYMZMPQM-CHWSQXEVSA-N 2 2 283.416 0.480 20 0 CCADLP Cc1ccc(OCCC[N@H+](CC[NH3+])C[C@@H](O)CO)cc1C ZINC000662287882 414707007 /nfs/dbraw/zinc/70/70/07/414707007.db2.gz BQVHPHOPJXWQNM-OAHLLOKOSA-N 2 2 296.411 0.686 20 0 CCADLP Cc1ccc(OCCC[N@@H+](CC[NH3+])C[C@@H](O)CO)cc1C ZINC000662287882 414707008 /nfs/dbraw/zinc/70/70/08/414707008.db2.gz BQVHPHOPJXWQNM-OAHLLOKOSA-N 2 2 296.411 0.686 20 0 CCADLP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CC3CC2(C[NH3+])C3)C1 ZINC000662304204 414708357 /nfs/dbraw/zinc/70/83/57/414708357.db2.gz MSVPXVVJAPBUAS-PNESKVBLSA-N 2 2 287.429 0.081 20 0 CCADLP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CC3CC2(C[NH3+])C3)C1 ZINC000662304204 414708358 /nfs/dbraw/zinc/70/83/58/414708358.db2.gz MSVPXVVJAPBUAS-PNESKVBLSA-N 2 2 287.429 0.081 20 0 CCADLP CC(C)NC(=O)[C@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662316620 414709028 /nfs/dbraw/zinc/70/90/28/414709028.db2.gz KMSHXHYLYIYSMN-QWHCGFSZSA-N 2 2 269.389 0.211 20 0 CCADLP CC(C)NC(=O)[C@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662316620 414709029 /nfs/dbraw/zinc/70/90/29/414709029.db2.gz KMSHXHYLYIYSMN-QWHCGFSZSA-N 2 2 269.389 0.211 20 0 CCADLP Cn1c[nH+]cc1CN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662322140 414709833 /nfs/dbraw/zinc/70/98/33/414709833.db2.gz USOFMHKDEXXEMK-AWEZNQCLSA-N 2 2 266.389 0.963 20 0 CCADLP CCN1CC[C@@H]([N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)C1=O ZINC000662326656 414710423 /nfs/dbraw/zinc/71/04/23/414710423.db2.gz YECQVRQUHLXTFO-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CCN1CC[C@@H]([N@H+]2CCO[C@H](CCC[NH+](C)C)C2)C1=O ZINC000662326656 414710424 /nfs/dbraw/zinc/71/04/24/414710424.db2.gz YECQVRQUHLXTFO-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CCOc1ccc(N2CC[NH+](CCC[NH3+])CC2)nn1 ZINC000662327147 414710445 /nfs/dbraw/zinc/71/04/45/414710445.db2.gz KTFPTZFOZNHPRG-UHFFFAOYSA-N 2 2 265.361 0.346 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(CO)C2)CC1 ZINC000662137465 414692042 /nfs/dbraw/zinc/69/20/42/414692042.db2.gz UEVINFMVCRDZHJ-YCPHGPKFSA-N 2 2 297.443 0.489 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@](C)(CO)C2)CC1 ZINC000662137465 414692043 /nfs/dbraw/zinc/69/20/43/414692043.db2.gz UEVINFMVCRDZHJ-YCPHGPKFSA-N 2 2 297.443 0.489 20 0 CCADLP CC(C)(C)n1nnc(CC[NH+]2CCC([NH3+])CC2)n1 ZINC000662240223 414698361 /nfs/dbraw/zinc/69/83/61/414698361.db2.gz IVYVNIRIOJAUOF-UHFFFAOYSA-N 2 2 252.366 0.394 20 0 CCADLP FC(F)(F)[C@@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662256016 414700374 /nfs/dbraw/zinc/70/03/74/414700374.db2.gz HSMRKYJOLGJRBS-ZJUUUORDSA-N 2 2 280.290 0.771 20 0 CCADLP FC(F)(F)[C@@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662256016 414700375 /nfs/dbraw/zinc/70/03/75/414700375.db2.gz HSMRKYJOLGJRBS-ZJUUUORDSA-N 2 2 280.290 0.771 20 0 CCADLP CC(C)OC[C@H]([NH3+])C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000662426849 414717319 /nfs/dbraw/zinc/71/73/19/414717319.db2.gz FSZINWWMEQRAJF-ZDUSSCGKSA-N 2 2 280.372 0.799 20 0 CCADLP C[C@H]1Cc2cc(C(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])ccc2O1 ZINC000662429654 414717598 /nfs/dbraw/zinc/71/75/98/414717598.db2.gz QJJVAHPBJMPBTM-SMDDNHRTSA-N 2 2 289.379 0.725 20 0 CCADLP C[C@H]1Cc2cc(C(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])ccc2O1 ZINC000662429654 414717599 /nfs/dbraw/zinc/71/75/99/414717599.db2.gz QJJVAHPBJMPBTM-SMDDNHRTSA-N 2 2 289.379 0.725 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000662445588 414719146 /nfs/dbraw/zinc/71/91/46/414719146.db2.gz TVSVCRDNNRSAHO-CYBMUJFWSA-N 2 2 295.387 0.152 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000662586140 414730418 /nfs/dbraw/zinc/73/04/18/414730418.db2.gz OYXFPEIUDVOLLX-SECBINFHSA-N 2 2 254.359 0.463 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000662586140 414730419 /nfs/dbraw/zinc/73/04/19/414730419.db2.gz OYXFPEIUDVOLLX-SECBINFHSA-N 2 2 254.359 0.463 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1ccnc(C[NH3+])c1 ZINC000662632276 414734730 /nfs/dbraw/zinc/73/47/30/414734730.db2.gz ZSFUPDLTSPJMBZ-NEPJUHHUSA-N 2 2 292.383 0.379 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1ccnc(C[NH3+])c1 ZINC000662632276 414734731 /nfs/dbraw/zinc/73/47/31/414734731.db2.gz ZSFUPDLTSPJMBZ-NEPJUHHUSA-N 2 2 292.383 0.379 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C2(C[NH3+])CCCC2)[C@H](C)CO1 ZINC000662631030 414734946 /nfs/dbraw/zinc/73/49/46/414734946.db2.gz PGNRFQFTBWUOFD-CHWSQXEVSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2(C[NH3+])CCCC2)[C@H](C)CO1 ZINC000662631030 414734947 /nfs/dbraw/zinc/73/49/47/414734947.db2.gz PGNRFQFTBWUOFD-CHWSQXEVSA-N 2 2 283.416 0.731 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000662632232 414735062 /nfs/dbraw/zinc/73/50/62/414735062.db2.gz ZCSPHMDXFCVJAI-QJPTWQEYSA-N 2 2 257.378 0.067 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000662632232 414735063 /nfs/dbraw/zinc/73/50/63/414735063.db2.gz ZCSPHMDXFCVJAI-QJPTWQEYSA-N 2 2 257.378 0.067 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)c2ccnc(C[NH3+])c2)[C@H](C)CO1 ZINC000662632279 414735479 /nfs/dbraw/zinc/73/54/79/414735479.db2.gz ZSFUPDLTSPJMBZ-VXGBXAGGSA-N 2 2 292.383 0.379 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)c2ccnc(C[NH3+])c2)[C@H](C)CO1 ZINC000662632279 414735480 /nfs/dbraw/zinc/73/54/80/414735480.db2.gz ZSFUPDLTSPJMBZ-VXGBXAGGSA-N 2 2 292.383 0.379 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000662635034 414735788 /nfs/dbraw/zinc/73/57/88/414735788.db2.gz UGDOSEPYXSBVRH-WOPDTQHZSA-N 2 2 257.378 0.210 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000662635034 414735789 /nfs/dbraw/zinc/73/57/89/414735789.db2.gz UGDOSEPYXSBVRH-WOPDTQHZSA-N 2 2 257.378 0.210 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)[C@@H](C)CO1 ZINC000662636093 414736019 /nfs/dbraw/zinc/73/60/19/414736019.db2.gz XTUIHJCDIONBOO-NEBZKDRISA-N 2 2 295.427 0.742 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)[C@@H](C)CO1 ZINC000662636093 414736020 /nfs/dbraw/zinc/73/60/20/414736020.db2.gz XTUIHJCDIONBOO-NEBZKDRISA-N 2 2 295.427 0.742 20 0 CCADLP Cc1ccn2cc(CNC(=O)[C@@H]3CCO[C@@H]3C[NH3+])[nH+]c2c1 ZINC000662689628 414741299 /nfs/dbraw/zinc/74/12/99/414741299.db2.gz UWYYOJWUDWIIPP-CHWSQXEVSA-N 2 2 288.351 0.623 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)CCOC2 ZINC000662691438 414741653 /nfs/dbraw/zinc/74/16/53/414741653.db2.gz HNSCUYXDIXJBCM-CQSZACIVSA-N 2 2 277.368 0.977 20 0 CCADLP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000662695333 414742534 /nfs/dbraw/zinc/74/25/34/414742534.db2.gz ZDBSDSKBPRLWDI-HUUCEWRRSA-N 2 2 289.379 0.482 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)c2cccc3c2C[NH2+]C3)CCO1 ZINC000662700293 414743343 /nfs/dbraw/zinc/74/33/43/414743343.db2.gz GAPWIFGJDBIMBY-LBPRGKRZSA-N 2 2 289.379 0.740 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)c2cccc3c2C[NH2+]C3)CCO1 ZINC000662700293 414743344 /nfs/dbraw/zinc/74/33/44/414743344.db2.gz GAPWIFGJDBIMBY-LBPRGKRZSA-N 2 2 289.379 0.740 20 0 CCADLP CC(C)([NH3+])CC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662703290 414743863 /nfs/dbraw/zinc/74/38/63/414743863.db2.gz JFQINRUBWMXQPN-UHFFFAOYSA-N 2 2 283.416 0.685 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662835429 414827685 /nfs/dbraw/zinc/82/76/85/414827685.db2.gz OBKIONWHNDGWMC-MJBXVCDLSA-N 3 2 282.432 0.399 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000662835429 414827691 /nfs/dbraw/zinc/82/76/91/414827691.db2.gz OBKIONWHNDGWMC-MJBXVCDLSA-N 3 2 282.432 0.399 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000662858297 414848706 /nfs/dbraw/zinc/84/87/06/414848706.db2.gz XGMRHPNHPWKXKY-KGLIPLIRSA-N 3 2 284.448 0.374 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000662858297 414848711 /nfs/dbraw/zinc/84/87/11/414848711.db2.gz XGMRHPNHPWKXKY-KGLIPLIRSA-N 3 2 284.448 0.374 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000662858333 414848910 /nfs/dbraw/zinc/84/89/10/414848910.db2.gz GKKRDRSEWPREQC-CHWSQXEVSA-N 2 2 285.432 0.977 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000662858333 414848917 /nfs/dbraw/zinc/84/89/17/414848917.db2.gz GKKRDRSEWPREQC-CHWSQXEVSA-N 2 2 285.432 0.977 20 0 CCADLP COCC1(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)CCCCC1 ZINC000662988192 414938116 /nfs/dbraw/zinc/93/81/16/414938116.db2.gz QVDOZKKTWMGAGZ-LBPRGKRZSA-N 2 2 271.405 0.731 20 0 CCADLP CN(C(=O)CC(C)(C)[NH3+])[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899732 414879519 /nfs/dbraw/zinc/87/95/19/414879519.db2.gz FQNWRKDAYOVCRI-CQSZACIVSA-N 3 2 296.459 0.741 20 0 CCADLP CN(C(=O)CC(C)(C)[NH3+])[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899732 414879523 /nfs/dbraw/zinc/87/95/23/414879523.db2.gz FQNWRKDAYOVCRI-CQSZACIVSA-N 3 2 296.459 0.741 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000662899682 414880454 /nfs/dbraw/zinc/88/04/54/414880454.db2.gz HXECPUOCZPDLDC-NEPJUHHUSA-N 2 2 280.372 0.849 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)C1(OC)CC[NH2+]CC1 ZINC000662899979 414880841 /nfs/dbraw/zinc/88/08/41/414880841.db2.gz JNBZZWKYCJRPJM-NSHDSACASA-N 2 2 280.372 0.849 20 0 CCADLP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H](C)[NH3+] ZINC000662901711 414883656 /nfs/dbraw/zinc/88/36/56/414883656.db2.gz YNUJBQJQMBXZOL-VNHYZAJKSA-N 3 2 296.459 0.597 20 0 CCADLP C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H](C)[NH3+] ZINC000662901711 414883660 /nfs/dbraw/zinc/88/36/60/414883660.db2.gz YNUJBQJQMBXZOL-VNHYZAJKSA-N 3 2 296.459 0.597 20 0 CCADLP [NH3+]C1(C(=O)N(CC[NH+]2CCOCC2)CC2CC2)CCC1 ZINC000662910319 414884690 /nfs/dbraw/zinc/88/46/90/414884690.db2.gz NINNEEXNAIRKLM-UHFFFAOYSA-N 2 2 281.400 0.439 20 0 CCADLP [NH3+]C1(C(=O)N(CC[NH+]2CCOCC2)CC2CC2)CCCC1 ZINC000662911499 414886791 /nfs/dbraw/zinc/88/67/91/414886791.db2.gz UWIZLXHCSIFKOB-UHFFFAOYSA-N 2 2 295.427 0.829 20 0 CCADLP C[C@]1(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC[NH2+]C1 ZINC000663014255 414950961 /nfs/dbraw/zinc/95/09/61/414950961.db2.gz USHNQNJXNKCITL-AWEZNQCLSA-N 2 2 271.324 0.749 20 0 CCADLP C[NH+](C)CCCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000663408991 415060028 /nfs/dbraw/zinc/06/00/28/415060028.db2.gz JIBZYYPWZKTIMQ-ZDUSSCGKSA-N 2 2 284.404 0.054 20 0 CCADLP O=C1NCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000663456331 415068329 /nfs/dbraw/zinc/06/83/29/415068329.db2.gz HCEOVKMOFFNAIN-AWEZNQCLSA-N 2 2 274.368 0.524 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000663238269 415024235 /nfs/dbraw/zinc/02/42/35/415024235.db2.gz CFSJHRJAGYGMPZ-AOOOYVTPSA-N 2 2 263.345 0.503 20 0 CCADLP COc1c(N)nc[nH+]c1N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000663238269 415024238 /nfs/dbraw/zinc/02/42/38/415024238.db2.gz CFSJHRJAGYGMPZ-AOOOYVTPSA-N 2 2 263.345 0.503 20 0 CCADLP COc1c(N)[nH+]cnc1N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000663243370 415026821 /nfs/dbraw/zinc/02/68/21/415026821.db2.gz YQKNCLQXRFDOME-AEJSXWLSSA-N 2 2 265.361 0.877 20 0 CCADLP COc1c(N)nc[nH+]c1N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000663243370 415026823 /nfs/dbraw/zinc/02/68/23/415026823.db2.gz YQKNCLQXRFDOME-AEJSXWLSSA-N 2 2 265.361 0.877 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000663775243 415131609 /nfs/dbraw/zinc/13/16/09/415131609.db2.gz VTJARYOGEHCWAZ-AWEZNQCLSA-N 3 2 299.463 0.263 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000663775243 415131618 /nfs/dbraw/zinc/13/16/18/415131618.db2.gz VTJARYOGEHCWAZ-AWEZNQCLSA-N 3 2 299.463 0.263 20 0 CCADLP C[NH+](C)CCC[NH+](C)CCNC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000663775243 415131625 /nfs/dbraw/zinc/13/16/25/415131625.db2.gz VTJARYOGEHCWAZ-AWEZNQCLSA-N 3 2 299.463 0.263 20 0 CCADLP C[NH+](C)CCC[NH+](C)CCNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000663775243 415131634 /nfs/dbraw/zinc/13/16/34/415131634.db2.gz VTJARYOGEHCWAZ-AWEZNQCLSA-N 3 2 299.463 0.263 20 0 CCADLP CC(C)C[NH+]1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000043310455 175004104 /nfs/dbraw/zinc/00/41/04/175004104.db2.gz ZADJTENDNCGDMU-UHFFFAOYSA-N 2 2 279.388 0.866 20 0 CCADLP Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000043709374 175103203 /nfs/dbraw/zinc/10/32/03/175103203.db2.gz HRZJYOIRDXUQHH-LBPRGKRZSA-N 2 2 287.323 0.503 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044530025 175194758 /nfs/dbraw/zinc/19/47/58/175194758.db2.gz DNUNSRFEFZJBDC-NSHDSACASA-N 2 2 270.377 0.139 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044530025 175194760 /nfs/dbraw/zinc/19/47/60/175194760.db2.gz DNUNSRFEFZJBDC-NSHDSACASA-N 2 2 270.377 0.139 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)C1 ZINC000044529986 175195075 /nfs/dbraw/zinc/19/50/75/175195075.db2.gz CGAHGYZIRCMAOG-CHWSQXEVSA-N 2 2 253.390 0.916 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)C1 ZINC000044529986 175195076 /nfs/dbraw/zinc/19/50/76/175195076.db2.gz CGAHGYZIRCMAOG-CHWSQXEVSA-N 2 2 253.390 0.916 20 0 CCADLP COC[C@H](CC[NH2+][C@H](C)C[C@H]1COCC[NH2+]1)OC ZINC000665235151 415574364 /nfs/dbraw/zinc/57/43/64/415574364.db2.gz QKRYRTVGWMYEHI-AGIUHOORSA-N 2 2 260.378 0.395 20 0 CCADLP C[C@H]([NH2+]Cc1nc(C(N)=O)cs1)[C@H]1CCC[NH2+]C1 ZINC000665273158 415584239 /nfs/dbraw/zinc/58/42/39/415584239.db2.gz QTFIIDPSQNDHRG-IUCAKERBSA-N 2 2 268.386 0.720 20 0 CCADLP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1nc(C(N)=O)cs1 ZINC000665272469 415584266 /nfs/dbraw/zinc/58/42/66/415584266.db2.gz FWUIBFMPSLFQJU-IUCAKERBSA-N 2 2 268.386 0.720 20 0 CCADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)C[NH2+]C)cc1 ZINC000665293875 415592513 /nfs/dbraw/zinc/59/25/13/415592513.db2.gz DUOHUZYWMMHGRP-WDEREUQCSA-N 2 2 285.413 0.853 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N2CCC(C)CC2)C1 ZINC000071147232 176043157 /nfs/dbraw/zinc/04/31/57/176043157.db2.gz BQOQVIFEACWRFV-ZDUSSCGKSA-N 2 2 253.390 0.786 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C)CC2)C1 ZINC000071147232 176043158 /nfs/dbraw/zinc/04/31/58/176043158.db2.gz BQOQVIFEACWRFV-ZDUSSCGKSA-N 2 2 253.390 0.786 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000071276109 176106794 /nfs/dbraw/zinc/10/67/94/176106794.db2.gz WHGOYYZMFWLDNU-WOPDTQHZSA-N 2 2 262.357 0.957 20 0 CCADLP CC(C)[NH2+]CC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000037818464 544423576 /nfs/dbraw/zinc/42/35/76/544423576.db2.gz GNTOKOLPOVSNAV-UHFFFAOYSA-N 2 2 276.384 0.724 20 0 CCADLP CC(C)[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000040420014 544423930 /nfs/dbraw/zinc/42/39/30/544423930.db2.gz MZJNWWPARNWIBB-UHFFFAOYSA-N 2 2 257.378 0.211 20 0 CCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)Cn1cc[nH+]c1 ZINC000081255777 544480659 /nfs/dbraw/zinc/48/06/59/544480659.db2.gz HYJPUUVKJTZHME-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP CN(C)c1nc(N2CC[NH+](Cc3cncnc3)CC2)cc[nH+]1 ZINC000129163284 544612135 /nfs/dbraw/zinc/61/21/35/544612135.db2.gz OMZIKHSFJNVRBY-UHFFFAOYSA-N 2 2 299.382 0.655 20 0 CCADLP CC[N@H+](CC(=O)N[C@H](C)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC000154041691 544666744 /nfs/dbraw/zinc/66/67/44/544666744.db2.gz BYONMMYPCFNWEX-YPMHNXCESA-N 2 2 269.389 0.306 20 0 CCADLP CC[N@@H+](CC(=O)N[C@H](C)[C@@H]1C[NH+](C)CCO1)C1CC1 ZINC000154041691 544666750 /nfs/dbraw/zinc/66/67/50/544666750.db2.gz BYONMMYPCFNWEX-YPMHNXCESA-N 2 2 269.389 0.306 20 0 CCADLP CC[NH+](CC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC000154041691 544666755 /nfs/dbraw/zinc/66/67/55/544666755.db2.gz BYONMMYPCFNWEX-YPMHNXCESA-N 2 2 269.389 0.306 20 0 CCADLP CC[NH+](CC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000154041691 544666760 /nfs/dbraw/zinc/66/67/60/544666760.db2.gz BYONMMYPCFNWEX-YPMHNXCESA-N 2 2 269.389 0.306 20 0 CCADLP Cc1ccncc1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000162783004 544713474 /nfs/dbraw/zinc/71/34/74/544713474.db2.gz JMGIINJMOJLTQM-UHFFFAOYSA-N 2 2 262.357 0.254 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccc(CO)cc2)CC1 ZINC000227474295 544835188 /nfs/dbraw/zinc/83/51/88/544835188.db2.gz DFZKKLBDBBCMES-UHFFFAOYSA-N 2 2 277.368 0.043 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000228921646 544845740 /nfs/dbraw/zinc/84/57/40/544845740.db2.gz IIJPLGRJFMHHKL-ITDIGPHOSA-N 2 2 292.383 0.901 20 0 CCADLP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000230978431 544858845 /nfs/dbraw/zinc/85/88/45/544858845.db2.gz BBAMCOGTUJBYDG-NEPJUHHUSA-N 2 2 253.390 0.975 20 0 CCADLP CC(C)(C)[NH2+]CC[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000230978431 544858850 /nfs/dbraw/zinc/85/88/50/544858850.db2.gz BBAMCOGTUJBYDG-NEPJUHHUSA-N 2 2 253.390 0.975 20 0 CCADLP CN(C(=O)CC(C)(C)O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000684281497 545639608 /nfs/dbraw/zinc/63/96/08/545639608.db2.gz FNIRXDAHGJLOCE-CQSZACIVSA-N 2 2 297.443 0.774 20 0 CCADLP CN(C(=O)CC(C)(C)O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000684281497 545639613 /nfs/dbraw/zinc/63/96/13/545639613.db2.gz FNIRXDAHGJLOCE-CQSZACIVSA-N 2 2 297.443 0.774 20 0 CCADLP C[C@@H](NC(=O)CC1([NH3+])CCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000237518146 544894007 /nfs/dbraw/zinc/89/40/07/544894007.db2.gz QGDRCMBMJOXTGB-VXGBXAGGSA-N 2 2 269.389 0.483 20 0 CCADLP C[C@@H]1CCC[N@H+](CCN2C(=O)CCC2=O)[C@H]1C[NH3+] ZINC000252131037 544928847 /nfs/dbraw/zinc/92/88/47/544928847.db2.gz KUMUTPSXYWDFCL-MNOVXSKESA-N 2 2 253.346 0.195 20 0 CCADLP C[C@@H]1CCC[N@@H+](CCN2C(=O)CCC2=O)[C@H]1C[NH3+] ZINC000252131037 544928850 /nfs/dbraw/zinc/92/88/50/544928850.db2.gz KUMUTPSXYWDFCL-MNOVXSKESA-N 2 2 253.346 0.195 20 0 CCADLP CN(C)C(=O)C[NH+]1CCC([NH2+]CCC2CCOCC2)CC1 ZINC000314328990 545015286 /nfs/dbraw/zinc/01/52/86/545015286.db2.gz FZQMMKDMXDFPFU-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP CC[C@](C)(C[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1)OC ZINC000322615418 545016429 /nfs/dbraw/zinc/01/64/29/545016429.db2.gz MCMYNIDFTITDET-OAHLLOKOSA-N 2 2 285.432 0.944 20 0 CCADLP CC[NH+](CC)CCC[C@H](C)NC(=O)CN1CC[NH2+]CC1=O ZINC000236858161 269751973 /nfs/dbraw/zinc/75/19/73/269751973.db2.gz XVIGFZPVJZBZCG-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000523440687 260223725 /nfs/dbraw/zinc/22/37/25/260223725.db2.gz NIJOMOBXEUUTNR-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000523440687 260223727 /nfs/dbraw/zinc/22/37/27/260223727.db2.gz NIJOMOBXEUUTNR-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000523440687 260223728 /nfs/dbraw/zinc/22/37/28/260223728.db2.gz NIJOMOBXEUUTNR-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000523440687 260223731 /nfs/dbraw/zinc/22/37/31/260223731.db2.gz NIJOMOBXEUUTNR-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCc1c[nH+]cn1C ZINC000356770814 545077763 /nfs/dbraw/zinc/07/77/63/545077763.db2.gz BLWBRKGXGCHYLD-CQSZACIVSA-N 2 2 294.399 0.830 20 0 CCADLP Cc1cccnc1C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000521427090 262328926 /nfs/dbraw/zinc/32/89/26/262328926.db2.gz ZGNPDXSNRAXBSJ-ZNMIVQPWSA-N 2 2 293.411 0.950 20 0 CCADLP Cc1cccnc1C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000521427090 262328928 /nfs/dbraw/zinc/32/89/28/262328928.db2.gz ZGNPDXSNRAXBSJ-ZNMIVQPWSA-N 2 2 293.411 0.950 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCc2nccs2)[C@@H](C[NH3+])C1 ZINC000521433768 262334436 /nfs/dbraw/zinc/33/44/36/262334436.db2.gz WTHKCYGPGJRRMQ-JTQLQIEISA-N 2 2 268.386 0.177 20 0 CCADLP C[N@H+]1CCN(C(=O)CCc2nccs2)[C@@H](C[NH3+])C1 ZINC000521433768 262334439 /nfs/dbraw/zinc/33/44/39/262334439.db2.gz WTHKCYGPGJRRMQ-JTQLQIEISA-N 2 2 268.386 0.177 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCc2nccs2)[C@H](C[NH3+])C1 ZINC000521433769 262334627 /nfs/dbraw/zinc/33/46/27/262334627.db2.gz WTHKCYGPGJRRMQ-SNVBAGLBSA-N 2 2 268.386 0.177 20 0 CCADLP C[N@H+]1CCN(C(=O)CCc2nccs2)[C@H](C[NH3+])C1 ZINC000521433769 262334629 /nfs/dbraw/zinc/33/46/29/262334629.db2.gz WTHKCYGPGJRRMQ-SNVBAGLBSA-N 2 2 268.386 0.177 20 0 CCADLP CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001017440745 649854306 /nfs/dbraw/zinc/85/43/06/649854306.db2.gz JQSDLGXKUADJDK-FRRDWIJNSA-N 2 2 267.373 0.012 20 0 CCADLP CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001017440745 649854307 /nfs/dbraw/zinc/85/43/07/649854307.db2.gz JQSDLGXKUADJDK-FRRDWIJNSA-N 2 2 267.373 0.012 20 0 CCADLP CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001017440745 649854310 /nfs/dbraw/zinc/85/43/10/649854310.db2.gz JQSDLGXKUADJDK-FRRDWIJNSA-N 2 2 267.373 0.012 20 0 CCADLP CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001017440745 649854312 /nfs/dbraw/zinc/85/43/12/649854312.db2.gz JQSDLGXKUADJDK-FRRDWIJNSA-N 2 2 267.373 0.012 20 0 CCADLP CC(=O)N1CCC[C@H](C[NH2+]Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425346748 275455232 /nfs/dbraw/zinc/45/52/32/275455232.db2.gz WVCGWMOVLWTHSN-CYBMUJFWSA-N 2 2 293.415 0.834 20 0 CCADLP CCC[C@@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976842 276023818 /nfs/dbraw/zinc/02/38/18/276023818.db2.gz GXGQFLZDKKTNLK-NWDGAFQWSA-N 2 2 255.362 0.047 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)C[C@@H]2CCC[C@@H]2O)CC1 ZINC000305276020 276191157 /nfs/dbraw/zinc/19/11/57/276191157.db2.gz AYZTZHMIWGIRQZ-KKUMJFAQSA-N 2 2 297.443 0.632 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@@H]2CCC[C@@H]2O)CC1 ZINC000305276020 276191158 /nfs/dbraw/zinc/19/11/58/276191158.db2.gz AYZTZHMIWGIRQZ-KKUMJFAQSA-N 2 2 297.443 0.632 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H](C)C1 ZINC000335567090 276191590 /nfs/dbraw/zinc/19/15/90/276191590.db2.gz XRMCMBAEDYQSJW-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H](C)C1 ZINC000335567090 276191592 /nfs/dbraw/zinc/19/15/92/276191592.db2.gz XRMCMBAEDYQSJW-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@@H+]1CC[C@@H]2OCCN(Cc3[nH+]ccn3C)[C@H]2C1 ZINC000339379036 276220800 /nfs/dbraw/zinc/22/08/00/276220800.db2.gz NFWHCEWJGWKFND-STQMWFEESA-N 2 2 264.373 0.715 20 0 CCADLP CC[N@H+]1CC[C@@H]2OCCN(Cc3[nH+]ccn3C)[C@H]2C1 ZINC000339379036 276220801 /nfs/dbraw/zinc/22/08/01/276220801.db2.gz NFWHCEWJGWKFND-STQMWFEESA-N 2 2 264.373 0.715 20 0 CCADLP CCN(C)C(=O)[C@@H]([NH2+][C@@H](C)C[C@H]1COCC[NH2+]1)C(C)C ZINC000423155953 276304105 /nfs/dbraw/zinc/30/41/05/276304105.db2.gz KGORQATVJDUQEA-IHRRRGAJSA-N 2 2 285.432 0.846 20 0 CCADLP CCO[C@H]1C[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C12CCC2 ZINC000344026038 276365298 /nfs/dbraw/zinc/36/52/98/276365298.db2.gz SUUOPGAWBWDEAD-KBPBESRZSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000156362413 276868419 /nfs/dbraw/zinc/86/84/19/276868419.db2.gz FLQCYTSZRLWZLU-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC(C)(C)[NH3+])c1 ZINC000423287243 277037571 /nfs/dbraw/zinc/03/75/71/277037571.db2.gz LATSUSKFHMAEGK-JTQLQIEISA-N 2 2 285.413 0.983 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000328612220 277060872 /nfs/dbraw/zinc/06/08/72/277060872.db2.gz PEJXTJIMQOOPHR-GHMZBOCLSA-N 2 2 266.345 0.547 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000328612220 277060873 /nfs/dbraw/zinc/06/08/73/277060873.db2.gz PEJXTJIMQOOPHR-GHMZBOCLSA-N 2 2 266.345 0.547 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000328612220 277060874 /nfs/dbraw/zinc/06/08/74/277060874.db2.gz PEJXTJIMQOOPHR-GHMZBOCLSA-N 2 2 266.345 0.547 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000328612220 277060875 /nfs/dbraw/zinc/06/08/75/277060875.db2.gz PEJXTJIMQOOPHR-GHMZBOCLSA-N 2 2 266.345 0.547 20 0 CCADLP Cn1ncc2c1nc[nH+]c2N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000368303907 277186627 /nfs/dbraw/zinc/18/66/27/277186627.db2.gz ISUUSEOJEYAVDU-AWEZNQCLSA-N 2 2 272.356 0.895 20 0 CCADLP Cn1ncc2c1nc[nH+]c2N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000368303907 277186628 /nfs/dbraw/zinc/18/66/28/277186628.db2.gz ISUUSEOJEYAVDU-AWEZNQCLSA-N 2 2 272.356 0.895 20 0 CCADLP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000422859255 277259854 /nfs/dbraw/zinc/25/98/54/277259854.db2.gz HFVPNJDCFKXTOP-RWMBFGLXSA-N 3 2 255.406 0.955 20 0 CCADLP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000422859255 277259855 /nfs/dbraw/zinc/25/98/55/277259855.db2.gz HFVPNJDCFKXTOP-RWMBFGLXSA-N 3 2 255.406 0.955 20 0 CCADLP CS[C@H]1CN(c2nc(C)[nH+]c(N(C)C)n2)C[C@H]1[NH+](C)C ZINC000340210019 278168310 /nfs/dbraw/zinc/16/83/10/278168310.db2.gz RQADEFAYIUSFKY-MNOVXSKESA-N 2 2 296.444 0.728 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000423029231 278217401 /nfs/dbraw/zinc/21/74/01/278217401.db2.gz HTOSCTKLVGLUTJ-XJFOESAGSA-N 2 2 255.406 0.826 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000423029231 278217403 /nfs/dbraw/zinc/21/74/03/278217403.db2.gz HTOSCTKLVGLUTJ-XJFOESAGSA-N 2 2 255.406 0.826 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCN(C)[C@H]1C ZINC000423029231 278217406 /nfs/dbraw/zinc/21/74/06/278217406.db2.gz HTOSCTKLVGLUTJ-XJFOESAGSA-N 2 2 255.406 0.826 20 0 CCADLP CC(=O)[C@@H](NC(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1)C(C)C ZINC000226468430 278223804 /nfs/dbraw/zinc/22/38/04/278223804.db2.gz DOXUPYJEAYTNHR-HIFRSBDPSA-N 2 2 283.416 0.790 20 0 CCADLP CC(=O)[C@@H](NC(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1)C(C)C ZINC000226468430 278223806 /nfs/dbraw/zinc/22/38/06/278223806.db2.gz DOXUPYJEAYTNHR-HIFRSBDPSA-N 2 2 283.416 0.790 20 0 CCADLP C[C@H]([NH2+][C@@H]1C[C@H]2CCCCN2C1=O)[C@@H]1CCC[NH2+]1 ZINC000423159175 278278250 /nfs/dbraw/zinc/27/82/50/278278250.db2.gz FLQPEUBDYKLUHJ-QNWHQSFQSA-N 2 2 251.374 0.870 20 0 CCADLP C[C@@H](Cn1cccn1)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000070143521 278300437 /nfs/dbraw/zinc/30/04/37/278300437.db2.gz BABQCTDDKZUUQJ-NSHDSACASA-N 2 2 262.361 0.861 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261874978 278364590 /nfs/dbraw/zinc/36/45/90/278364590.db2.gz ZMFSBOKHKBOPAY-GHMZBOCLSA-N 2 2 282.388 0.295 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261874978 278364591 /nfs/dbraw/zinc/36/45/91/278364591.db2.gz ZMFSBOKHKBOPAY-GHMZBOCLSA-N 2 2 282.388 0.295 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)N1CCOCC1 ZINC000343080784 288090008 /nfs/dbraw/zinc/09/00/08/288090008.db2.gz VBTZLEZWRDMUHM-OLZOCXBDSA-N 2 2 255.406 0.637 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)N1CCOCC1 ZINC000343080784 288090009 /nfs/dbraw/zinc/09/00/09/288090009.db2.gz VBTZLEZWRDMUHM-OLZOCXBDSA-N 2 2 255.406 0.637 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1 ZINC000353580188 288091374 /nfs/dbraw/zinc/09/13/74/288091374.db2.gz WJNMCEHHPMJVFL-VVSAWPALSA-N 2 2 281.400 0.352 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCC(=O)N[C@@H]1[C@H]1CCCO1 ZINC000353580188 288091376 /nfs/dbraw/zinc/09/13/76/288091376.db2.gz WJNMCEHHPMJVFL-VVSAWPALSA-N 2 2 281.400 0.352 20 0 CCADLP C[C@@H]1[C@@H](C)[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCN1C ZINC000338287302 279083218 /nfs/dbraw/zinc/08/32/18/279083218.db2.gz ZVYLMBSQQPNOES-ZIAGYGMSSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@@H]1[C@@H](C)[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCN1C ZINC000338287302 279083219 /nfs/dbraw/zinc/08/32/19/279083219.db2.gz ZVYLMBSQQPNOES-ZIAGYGMSSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1CCC(=O)N1CC[NH+](C)CC1 ZINC000338287302 279083220 /nfs/dbraw/zinc/08/32/20/279083220.db2.gz ZVYLMBSQQPNOES-ZIAGYGMSSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1CCC(=O)N1CC[NH+](C)CC1 ZINC000338287302 279083222 /nfs/dbraw/zinc/08/32/22/279083222.db2.gz ZVYLMBSQQPNOES-ZIAGYGMSSA-N 2 2 282.432 0.175 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000167685007 279177999 /nfs/dbraw/zinc/17/79/99/279177999.db2.gz ZFLSUOGIVXOIMV-UPJWGTAASA-N 2 2 271.405 0.585 20 0 CCADLP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129126578 279217496 /nfs/dbraw/zinc/21/74/96/279217496.db2.gz QAJAPCROMGQPTN-ZIAGYGMSSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129126578 279217497 /nfs/dbraw/zinc/21/74/97/279217497.db2.gz QAJAPCROMGQPTN-ZIAGYGMSSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000414800134 279367443 /nfs/dbraw/zinc/36/74/43/279367443.db2.gz YRSXADJDVHCHPH-RFGFWPKPSA-N 3 2 255.406 0.467 20 0 CCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@H]2CC[NH2+]C2)C1 ZINC000335369258 279374807 /nfs/dbraw/zinc/37/48/07/279374807.db2.gz VNUINBSRVVSSON-STQMWFEESA-N 2 2 276.384 0.811 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000517738611 279401232 /nfs/dbraw/zinc/40/12/32/279401232.db2.gz WUFMZHFCGMVQJW-GARJFASQSA-N 2 2 265.361 0.623 20 0 CCADLP CC(C)[C@H](C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1)[C@@H](C)[NH3+] ZINC000332708954 280160998 /nfs/dbraw/zinc/16/09/98/280160998.db2.gz YBZGQGBEOOQQSJ-RQJABVFESA-N 2 2 283.416 0.537 20 0 CCADLP CC(C)[C@H](C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1)[C@@H](C)[NH3+] ZINC000332708954 280161000 /nfs/dbraw/zinc/16/10/00/280161000.db2.gz YBZGQGBEOOQQSJ-RQJABVFESA-N 2 2 283.416 0.537 20 0 CCADLP CC[C@@H]1C(=O)N(CC)CC[N@H+]1CCn1cc[nH+]c1 ZINC000495192147 280224183 /nfs/dbraw/zinc/22/41/83/280224183.db2.gz HZMMROCJBPYCBW-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP CC[C@@H]1C(=O)N(CC)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000495192147 280224185 /nfs/dbraw/zinc/22/41/85/280224185.db2.gz HZMMROCJBPYCBW-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000178763588 280274512 /nfs/dbraw/zinc/27/45/12/280274512.db2.gz CIIOULMFGDDFJV-NSHDSACASA-N 2 2 257.378 0.197 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000178763588 280274513 /nfs/dbraw/zinc/27/45/13/280274513.db2.gz CIIOULMFGDDFJV-NSHDSACASA-N 2 2 257.378 0.197 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCN1CCO[C@@H]2CC[NH+](C)C[C@H]21 ZINC000345025378 288344743 /nfs/dbraw/zinc/34/47/43/288344743.db2.gz ZCWODYWENJAPGO-RBSFLKMASA-N 2 2 283.416 0.112 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCN1CCO[C@@H]2CC[NH+](C)C[C@H]21 ZINC000345025378 288344744 /nfs/dbraw/zinc/34/47/44/288344744.db2.gz ZCWODYWENJAPGO-RBSFLKMASA-N 2 2 283.416 0.112 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000345025378 288344745 /nfs/dbraw/zinc/34/47/45/288344745.db2.gz ZCWODYWENJAPGO-RBSFLKMASA-N 2 2 283.416 0.112 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000345025378 288344746 /nfs/dbraw/zinc/34/47/46/288344746.db2.gz ZCWODYWENJAPGO-RBSFLKMASA-N 2 2 283.416 0.112 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000237083763 282051567 /nfs/dbraw/zinc/05/15/67/282051567.db2.gz CSDRORGGUPXSMJ-KBPBESRZSA-N 3 2 296.459 0.646 20 0 CCADLP C[C@@H]1[C@H](C)OCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338268926 289021218 /nfs/dbraw/zinc/02/12/18/289021218.db2.gz ACROPRCNZLTBFM-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@@H]1[C@H](C)OCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338268926 289021219 /nfs/dbraw/zinc/02/12/19/289021219.db2.gz ACROPRCNZLTBFM-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000375247632 289069334 /nfs/dbraw/zinc/06/93/34/289069334.db2.gz ARRAIWFSFBIDDB-ZBFHGGJFSA-N 3 2 294.443 0.128 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000361208629 289209181 /nfs/dbraw/zinc/20/91/81/289209181.db2.gz NFFXTHNYBLNHDD-CYBMUJFWSA-N 3 2 257.422 0.761 20 0 CCADLP CN(C)[C@H](C(=O)N(C)C1CC[NH+](C)CC1)c1c[nH+]cn1C ZINC000348337648 289342880 /nfs/dbraw/zinc/34/28/80/289342880.db2.gz HZYHLVHYSNTPDG-AWEZNQCLSA-N 2 2 293.415 0.575 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCOC[C@H]2C2CCC2)CC1 ZINC000516865483 290012318 /nfs/dbraw/zinc/01/23/18/290012318.db2.gz KVIFGCDGICRCBG-AWEZNQCLSA-N 2 2 281.400 0.261 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCOC[C@H]2C2CCC2)CC1 ZINC000516865483 290012320 /nfs/dbraw/zinc/01/23/20/290012320.db2.gz KVIFGCDGICRCBG-AWEZNQCLSA-N 2 2 281.400 0.261 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1CN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21 ZINC000353523675 290036093 /nfs/dbraw/zinc/03/60/93/290036093.db2.gz YFEUVMIPJPINTR-KLHDSHLOSA-N 2 2 280.460 0.695 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1CN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21 ZINC000353523675 290036094 /nfs/dbraw/zinc/03/60/94/290036094.db2.gz YFEUVMIPJPINTR-KLHDSHLOSA-N 2 2 280.460 0.695 20 0 CCADLP CN1CC[NH+](C)C[C@H]1CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353523675 290036095 /nfs/dbraw/zinc/03/60/95/290036095.db2.gz YFEUVMIPJPINTR-KLHDSHLOSA-N 2 2 280.460 0.695 20 0 CCADLP CN1CC[NH+](C)C[C@H]1CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353523675 290036097 /nfs/dbraw/zinc/03/60/97/290036097.db2.gz YFEUVMIPJPINTR-KLHDSHLOSA-N 2 2 280.460 0.695 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000414981532 290061856 /nfs/dbraw/zinc/06/18/56/290061856.db2.gz XSBZVZXDAKTQAW-APIJFGDWSA-N 3 2 266.433 0.400 20 0 CCADLP [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000423749863 295298716 /nfs/dbraw/zinc/29/87/16/295298716.db2.gz CORLVFNKXRSSNL-AEGPPILISA-N 2 2 295.427 0.873 20 0 CCADLP [NH3+][C@@H]1CCCC[C@H]1CC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000423749863 295298717 /nfs/dbraw/zinc/29/87/17/295298717.db2.gz CORLVFNKXRSSNL-AEGPPILISA-N 2 2 295.427 0.873 20 0 CCADLP CCO[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000385801526 545085717 /nfs/dbraw/zinc/08/57/17/545085717.db2.gz HKMYTTPZKRVCGR-UONOGXRCSA-N 2 2 256.390 0.942 20 0 CCADLP CCO[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000385801526 545085718 /nfs/dbraw/zinc/08/57/18/545085718.db2.gz HKMYTTPZKRVCGR-UONOGXRCSA-N 2 2 256.390 0.942 20 0 CCADLP CCO[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000385801526 545085719 /nfs/dbraw/zinc/08/57/19/545085719.db2.gz HKMYTTPZKRVCGR-UONOGXRCSA-N 2 2 256.390 0.942 20 0 CCADLP CCO[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000385801526 545085720 /nfs/dbraw/zinc/08/57/20/545085720.db2.gz HKMYTTPZKRVCGR-UONOGXRCSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@@H]1OCC[NH2+][C@@H]1C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000343434101 297583263 /nfs/dbraw/zinc/58/32/63/297583263.db2.gz JVKATDCOBOAAIU-LAEOZQHASA-N 2 2 296.396 0.275 20 0 CCADLP [NH3+]C1(CC(=O)N2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000398144554 545088987 /nfs/dbraw/zinc/08/89/87/545088987.db2.gz BFEQLPRVHONDDF-UHFFFAOYSA-N 2 2 274.368 0.607 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)N2CCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343927767 300238284 /nfs/dbraw/zinc/23/82/84/300238284.db2.gz SYDBLPCDMSZWGV-LSDHHAIUSA-N 2 2 294.443 0.177 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)N2CCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343927767 300238287 /nfs/dbraw/zinc/23/82/87/300238287.db2.gz SYDBLPCDMSZWGV-LSDHHAIUSA-N 2 2 294.443 0.177 20 0 CCADLP COc1cc(C)[nH+]c(CN2CC[N@H+](CCO)C[C@@H]2C)c1 ZINC000449785813 533697892 /nfs/dbraw/zinc/69/78/92/533697892.db2.gz JHWXNVZDSWJHPI-ZDUSSCGKSA-N 2 2 279.384 0.897 20 0 CCADLP COc1cc(C)[nH+]c(CN2CC[N@@H+](CCO)C[C@@H]2C)c1 ZINC000449785813 533697896 /nfs/dbraw/zinc/69/78/96/533697896.db2.gz JHWXNVZDSWJHPI-ZDUSSCGKSA-N 2 2 279.384 0.897 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](CCO)[C@@H]1CC[C@H](C)C1 ZINC000582793566 329210317 /nfs/dbraw/zinc/21/03/17/329210317.db2.gz HDUVOYFDYZBDHN-ZNMIVQPWSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](CCO)[C@@H]1CC[C@H](C)C1 ZINC000582793566 329210318 /nfs/dbraw/zinc/21/03/18/329210318.db2.gz HDUVOYFDYZBDHN-ZNMIVQPWSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](CCO)[C@@H]1CC[C@H](C)C1 ZINC000582793566 329210319 /nfs/dbraw/zinc/21/03/19/329210319.db2.gz HDUVOYFDYZBDHN-ZNMIVQPWSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](CCO)[C@@H]1CC[C@H](C)C1 ZINC000582793566 329210320 /nfs/dbraw/zinc/21/03/20/329210320.db2.gz HDUVOYFDYZBDHN-ZNMIVQPWSA-N 2 2 288.432 0.408 20 0 CCADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000565724678 327000269 /nfs/dbraw/zinc/00/02/69/327000269.db2.gz QPQNHCSLHKXZCS-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000565724678 327000270 /nfs/dbraw/zinc/00/02/70/327000270.db2.gz QPQNHCSLHKXZCS-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)NCC[N@H+]1CC=CCC1 ZINC000576717799 327038921 /nfs/dbraw/zinc/03/89/21/327038921.db2.gz NBASYKCSFMCJDD-UHFFFAOYSA-N 2 2 277.372 0.964 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)NCC[N@@H+]1CC=CCC1 ZINC000576717799 327038922 /nfs/dbraw/zinc/03/89/22/327038922.db2.gz NBASYKCSFMCJDD-UHFFFAOYSA-N 2 2 277.372 0.964 20 0 CCADLP CC(C)(C[NH+]1CCOCC1)NC(=O)Cn1cc[nH+]c1 ZINC000584237197 327073002 /nfs/dbraw/zinc/07/30/02/327073002.db2.gz PAOIRJQJTUFFPI-UHFFFAOYSA-N 2 2 266.345 0.110 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000584243070 327126151 /nfs/dbraw/zinc/12/61/51/327126151.db2.gz ODIZJTHWGKZTIG-VIFPVBQESA-N 2 2 259.375 0.641 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)CS1 ZINC000566121123 327141422 /nfs/dbraw/zinc/14/14/22/327141422.db2.gz XXDWFXCBTDJGSH-XGFWRYKXSA-N 2 2 288.457 0.940 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)N(C)CCCn1cc[nH+]c1 ZINC000584290132 327222253 /nfs/dbraw/zinc/22/22/53/327222253.db2.gz FSGOMVMXSXAGMW-LLVKDONJSA-N 2 2 254.334 0.095 20 0 CCADLP Cc1nc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)no1 ZINC000584291668 327223512 /nfs/dbraw/zinc/22/35/12/327223512.db2.gz BEXQYDMZHRGPFL-LBPRGKRZSA-N 2 2 293.371 0.022 20 0 CCADLP Cc1nc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)no1 ZINC000584291668 327223514 /nfs/dbraw/zinc/22/35/14/327223514.db2.gz BEXQYDMZHRGPFL-LBPRGKRZSA-N 2 2 293.371 0.022 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(OCCOC)CC1 ZINC000577765909 327281544 /nfs/dbraw/zinc/28/15/44/327281544.db2.gz QACSWJCAJTYZMZ-ZDUSSCGKSA-N 2 2 274.405 0.426 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(OCCOC)CC1 ZINC000577765909 327281545 /nfs/dbraw/zinc/28/15/45/327281545.db2.gz QACSWJCAJTYZMZ-ZDUSSCGKSA-N 2 2 274.405 0.426 20 0 CCADLP [NH3+]CC12CCC(CC1)C[N@@H+]2CCN1C(=O)CCC1=O ZINC000574171494 327297627 /nfs/dbraw/zinc/29/76/27/327297627.db2.gz XJYBWXSSOHRLAC-UHFFFAOYSA-N 2 2 265.357 0.339 20 0 CCADLP [NH3+]CC12CCC(CC1)C[N@H+]2CCN1C(=O)CCC1=O ZINC000574171494 327297628 /nfs/dbraw/zinc/29/76/28/327297628.db2.gz XJYBWXSSOHRLAC-UHFFFAOYSA-N 2 2 265.357 0.339 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000578524763 327342894 /nfs/dbraw/zinc/34/28/94/327342894.db2.gz QSWBEPWAYMXVSQ-UHFFFAOYSA-N 2 2 253.350 0.939 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000578524763 327342896 /nfs/dbraw/zinc/34/28/96/327342896.db2.gz QSWBEPWAYMXVSQ-UHFFFAOYSA-N 2 2 253.350 0.939 20 0 CCADLP C[C@@H](c1nnnn1C1CC1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000583431175 327360741 /nfs/dbraw/zinc/36/07/41/327360741.db2.gz CGWKJFPGHIUMOY-OUAUKWLOSA-N 2 2 264.377 0.986 20 0 CCADLP C[C@@H](c1nnnn1C1CC1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000583431175 327360742 /nfs/dbraw/zinc/36/07/42/327360742.db2.gz CGWKJFPGHIUMOY-OUAUKWLOSA-N 2 2 264.377 0.986 20 0 CCADLP C[C@H]1[NH2+]CC[C@H]1C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000575300184 327456711 /nfs/dbraw/zinc/45/67/11/327456711.db2.gz FBLWCCIAHCQZMF-NXEZZACHSA-N 2 2 295.387 0.481 20 0 CCADLP Cc1cc(CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)cc(C)[nH+]1 ZINC000575121772 327504933 /nfs/dbraw/zinc/50/49/33/327504933.db2.gz FDCBPKJYWBSCRW-ZDUSSCGKSA-N 2 2 290.367 0.183 20 0 CCADLP CS(=O)(=O)CC1(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000583693862 329003898 /nfs/dbraw/zinc/00/38/98/329003898.db2.gz MZNWXBHPXBNKFS-GFCCVEGCSA-N 2 2 272.414 0.497 20 0 CCADLP CS(=O)(=O)CC1(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000583693862 329003900 /nfs/dbraw/zinc/00/39/00/329003900.db2.gz MZNWXBHPXBNKFS-GFCCVEGCSA-N 2 2 272.414 0.497 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]CC1([S@](C)=O)CCC1)C1CC1 ZINC000393700061 329088930 /nfs/dbraw/zinc/08/89/30/329088930.db2.gz CGUIKUDQVRPPOM-XIKOKIGWSA-N 2 2 274.430 0.332 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]CC1([S@](C)=O)CCC1)C1CC1 ZINC000393700061 329088932 /nfs/dbraw/zinc/08/89/32/329088932.db2.gz CGUIKUDQVRPPOM-XIKOKIGWSA-N 2 2 274.430 0.332 20 0 CCADLP COC(=O)C[N@@H+]1CCC[C@@H](CNc2cc(C)[nH+]c(C)n2)C1 ZINC000582755717 329144656 /nfs/dbraw/zinc/14/46/56/329144656.db2.gz JXBUSNUSACESBF-ZDUSSCGKSA-N 2 2 292.383 0.812 20 0 CCADLP COC(=O)C[N@H+]1CCC[C@@H](CNc2cc(C)[nH+]c(C)n2)C1 ZINC000582755717 329144657 /nfs/dbraw/zinc/14/46/57/329144657.db2.gz JXBUSNUSACESBF-ZDUSSCGKSA-N 2 2 292.383 0.812 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000582786811 329198645 /nfs/dbraw/zinc/19/86/45/329198645.db2.gz IVJWLFPGLKDTNB-DMDPSCGWSA-N 2 2 251.374 0.809 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000582786811 329198646 /nfs/dbraw/zinc/19/86/46/329198646.db2.gz IVJWLFPGLKDTNB-DMDPSCGWSA-N 2 2 251.374 0.809 20 0 CCADLP C[C@@H](C(=O)NCC[N@@H+]1CCOC[C@H]1C)[NH+]1CC(C)C1 ZINC000582913336 329287815 /nfs/dbraw/zinc/28/78/15/329287815.db2.gz FWSOZLCZQWHOBM-OLZOCXBDSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H](C(=O)NCC[N@H+]1CCOC[C@H]1C)[NH+]1CC(C)C1 ZINC000582913336 329287816 /nfs/dbraw/zinc/28/78/16/329287816.db2.gz FWSOZLCZQWHOBM-OLZOCXBDSA-N 2 2 269.389 0.164 20 0 CCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@H]2C1 ZINC000580435060 330133340 /nfs/dbraw/zinc/13/33/40/330133340.db2.gz YJGWVJMSXFTAPC-IPYPFGDCSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@H]2C1 ZINC000580435060 330133342 /nfs/dbraw/zinc/13/33/42/330133342.db2.gz YJGWVJMSXFTAPC-IPYPFGDCSA-N 2 2 288.395 0.998 20 0 CCADLP CC(C)[C@]1(C)C[C@@H]1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000575354848 335096999 /nfs/dbraw/zinc/09/69/99/335096999.db2.gz KLZXCDYZFCTHQI-DYEKYZERSA-N 2 2 268.405 0.705 20 0 CCADLP CC(C)[C@]1(C)C[C@@H]1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000575354848 335097001 /nfs/dbraw/zinc/09/70/01/335097001.db2.gz KLZXCDYZFCTHQI-DYEKYZERSA-N 2 2 268.405 0.705 20 0 CCADLP C[C@@H]1C[C@H]1C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000575377048 335099350 /nfs/dbraw/zinc/09/93/50/335099350.db2.gz DYIWATUSDVZJFA-PEBLQZBPSA-N 2 2 256.390 0.702 20 0 CCADLP C[C@@H]1C[C@H]1C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000575377048 335099351 /nfs/dbraw/zinc/09/93/51/335099351.db2.gz DYIWATUSDVZJFA-PEBLQZBPSA-N 2 2 256.390 0.702 20 0 CCADLP Cc1cccn2cc(CC(=O)NC[C@H]3C[NH2+]CCO3)[nH+]c12 ZINC000575926207 335131829 /nfs/dbraw/zinc/13/18/29/335131829.db2.gz QZTWDSPELYSQFL-CYBMUJFWSA-N 2 2 288.351 0.290 20 0 CCADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Cn1cc[nH+]c1 ZINC000575918560 335130699 /nfs/dbraw/zinc/13/06/99/335130699.db2.gz XRPYRGRHEPPXDQ-GFCCVEGCSA-N 2 2 280.372 0.187 20 0 CCADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Cn1cc[nH+]c1 ZINC000575918560 335130700 /nfs/dbraw/zinc/13/07/00/335130700.db2.gz XRPYRGRHEPPXDQ-GFCCVEGCSA-N 2 2 280.372 0.187 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)CC1 ZINC000575920241 335130887 /nfs/dbraw/zinc/13/08/87/335130887.db2.gz RFLGHNJBENIMDU-CABCVRRESA-N 2 2 295.427 0.651 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)CC1 ZINC000575920241 335130889 /nfs/dbraw/zinc/13/08/89/335130889.db2.gz RFLGHNJBENIMDU-CABCVRRESA-N 2 2 295.427 0.651 20 0 CCADLP CC[NH+]1CCN([C@@H](C)CNC(=O)Cn2cc[nH+]c2)CC1 ZINC000575966986 335136117 /nfs/dbraw/zinc/13/61/17/335136117.db2.gz JALZSGIEJHCXIF-ZDUSSCGKSA-N 2 2 279.388 0.025 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]CCC(C)(C)S(C)(=O)=O)C1CC1 ZINC000576101086 335153783 /nfs/dbraw/zinc/15/37/83/335153783.db2.gz LJTZRADVZXSOGD-LBPRGKRZSA-N 2 2 292.445 0.244 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)C[C@@H]([NH3+])c2ccccc2)CCO1 ZINC000576111091 335156042 /nfs/dbraw/zinc/15/60/42/335156042.db2.gz KFCYJOJVALTHRE-DZGCQCFKSA-N 2 2 291.395 0.913 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)C[C@@H]([NH3+])c2ccccc2)CCO1 ZINC000576111091 335156044 /nfs/dbraw/zinc/15/60/44/335156044.db2.gz KFCYJOJVALTHRE-DZGCQCFKSA-N 2 2 291.395 0.913 20 0 CCADLP Cc1cccn2cc(CC(=O)N(C)[C@H](C)C[NH3+])[nH+]c12 ZINC000565659534 334585354 /nfs/dbraw/zinc/58/53/54/334585354.db2.gz FTBGROXJEIWQHZ-LLVKDONJSA-N 2 2 260.341 0.991 20 0 CCADLP C[C@H](C[NH2+]CCCC[NH+]1CCOCC1)S(C)(=O)=O ZINC000566106173 334622785 /nfs/dbraw/zinc/62/27/85/334622785.db2.gz IZOLJDCUXFNTOK-GFCCVEGCSA-N 2 2 278.418 0.122 20 0 CCADLP CC(C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175502858 335186740 /nfs/dbraw/zinc/18/67/40/335186740.db2.gz PCPDYJPNOVMVHO-UHFFFAOYSA-N 2 2 256.394 0.720 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1nnnn1-c1ccccc1 ZINC000576338033 335190945 /nfs/dbraw/zinc/19/09/45/335190945.db2.gz COHVYQDTRKJWGC-OCCSQVGLSA-N 2 2 286.383 0.792 20 0 CCADLP [NH3+][C@H]1C[C@@H](C(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000576347245 335192709 /nfs/dbraw/zinc/19/27/09/335192709.db2.gz RKZBVJUXNWOXHA-OKILXGFUSA-N 2 2 274.368 0.463 20 0 CCADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]Cc1cnc2cnccn12 ZINC000576431277 335202796 /nfs/dbraw/zinc/20/27/96/335202796.db2.gz JBZKIHLZXSIZJU-ZDUSSCGKSA-N 2 2 289.383 0.666 20 0 CCADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]Cc1cnc2cnccn12 ZINC000576431277 335202798 /nfs/dbraw/zinc/20/27/98/335202798.db2.gz JBZKIHLZXSIZJU-ZDUSSCGKSA-N 2 2 289.383 0.666 20 0 CCADLP CC[C@@H]1C[C@H]1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000580540801 335203724 /nfs/dbraw/zinc/20/37/24/335203724.db2.gz QZBOSFNWLBYKTB-GRYCIOLGSA-N 2 2 254.378 0.317 20 0 CCADLP CC[C@@H]1C[C@H]1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000580540801 335203725 /nfs/dbraw/zinc/20/37/25/335203725.db2.gz QZBOSFNWLBYKTB-GRYCIOLGSA-N 2 2 254.378 0.317 20 0 CCADLP CC(C)COC[C@H](O)C[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000580543796 335270463 /nfs/dbraw/zinc/27/04/63/335270463.db2.gz RZQQNHTZGZKCIF-HUUCEWRRSA-N 2 2 288.432 0.578 20 0 CCADLP CC[NH+]1C[C@H](C)N(C(=O)[C@@H](C)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000577295573 335336643 /nfs/dbraw/zinc/33/66/43/335336643.db2.gz SJTBHBMIYVOHNY-SOUVJXGZSA-N 2 2 296.459 0.563 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCOc2ccccc2)[C@H](C[NH3+])C1 ZINC000577474745 335356198 /nfs/dbraw/zinc/35/61/98/335356198.db2.gz IUXKWNPZCUGWLF-CYBMUJFWSA-N 2 2 292.383 0.350 20 0 CCADLP C[C@@H]1CCC[C@@H](OCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000577491280 335358526 /nfs/dbraw/zinc/35/85/26/335358526.db2.gz MZTPRXMKLZXRLZ-HZSPNIEDSA-N 2 2 283.416 0.683 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+](C)CC(=O)NCc1ccccc1 ZINC000577521342 335364198 /nfs/dbraw/zinc/36/41/98/335364198.db2.gz BLSULDGOIQORJS-OAHLLOKOSA-N 2 2 279.384 0.205 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CC(=O)NCc1ccccc1 ZINC000577521342 335364200 /nfs/dbraw/zinc/36/42/00/335364200.db2.gz BLSULDGOIQORJS-OAHLLOKOSA-N 2 2 279.384 0.205 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)C(F)(F)F ZINC000577622162 335380115 /nfs/dbraw/zinc/38/01/15/335380115.db2.gz XJFZEDMKKZVHBJ-ZJUUUORDSA-N 2 2 270.295 0.610 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)C(F)(F)F ZINC000577622162 335380117 /nfs/dbraw/zinc/38/01/17/335380117.db2.gz XJFZEDMKKZVHBJ-ZJUUUORDSA-N 2 2 270.295 0.610 20 0 CCADLP COc1c(N)[nH+]cnc1NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000577626814 335381764 /nfs/dbraw/zinc/38/17/64/335381764.db2.gz UHIZDLXLJCHIJK-SNVBAGLBSA-N 2 2 288.355 0.984 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000380633731 336008991 /nfs/dbraw/zinc/00/89/91/336008991.db2.gz IYLYIYUXRSYZGZ-OAHLLOKOSA-N 3 2 287.448 0.199 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000380633731 336008992 /nfs/dbraw/zinc/00/89/92/336008992.db2.gz IYLYIYUXRSYZGZ-OAHLLOKOSA-N 3 2 287.448 0.199 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1(C)C ZINC000581438918 336078337 /nfs/dbraw/zinc/07/83/37/336078337.db2.gz DQKZVURTQOMTKS-UHFFFAOYSA-N 2 2 250.346 0.895 20 0 CCADLP C[N@H+]1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1(C)C ZINC000581438918 336078338 /nfs/dbraw/zinc/07/83/38/336078338.db2.gz DQKZVURTQOMTKS-UHFFFAOYSA-N 2 2 250.346 0.895 20 0 CCADLP CCC[C@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])OC ZINC000581598013 336109545 /nfs/dbraw/zinc/10/95/45/336109545.db2.gz XITRHQAXLHNCBZ-NWDGAFQWSA-N 2 2 272.393 0.086 20 0 CCADLP C[NH2+]C[C@@](C)(O)CN1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000581613217 336112512 /nfs/dbraw/zinc/11/25/12/336112512.db2.gz VTTUNPICBMCFTQ-GOEBONIOSA-N 2 2 292.427 0.731 20 0 CCADLP CCOC(=O)CC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000385482594 336148719 /nfs/dbraw/zinc/14/87/19/336148719.db2.gz ZXJFVGHSKNMZSJ-NWDGAFQWSA-N 2 2 258.362 0.374 20 0 CCADLP CCOC(=O)CC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000385482594 336148720 /nfs/dbraw/zinc/14/87/20/336148720.db2.gz ZXJFVGHSKNMZSJ-NWDGAFQWSA-N 2 2 258.362 0.374 20 0 CCADLP CC(C)(C)[C@@H](O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000581892286 336161642 /nfs/dbraw/zinc/16/16/42/336161642.db2.gz HSEIPAQUZSFAIB-NSHDSACASA-N 2 2 252.362 0.939 20 0 CCADLP CC(C)(C)N1C[C@H]([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1=O ZINC000581937917 336172658 /nfs/dbraw/zinc/17/26/58/336172658.db2.gz DLJFYXOIBMQOMH-NFAWXSAZSA-N 2 2 295.427 0.742 20 0 CCADLP C[C@@H](O)CNc1cc(N2CCC[C@H]3C[N@H+](C)C[C@H]32)nc[nH+]1 ZINC000425278022 533716899 /nfs/dbraw/zinc/71/68/99/533716899.db2.gz DHOYGFYKIZMECH-FRRDWIJNSA-N 2 2 291.399 0.800 20 0 CCADLP C[C@@H](O)CNc1cc(N2CCC[C@H]3C[N@@H+](C)C[C@H]32)nc[nH+]1 ZINC000425278022 533716904 /nfs/dbraw/zinc/71/69/04/533716904.db2.gz DHOYGFYKIZMECH-FRRDWIJNSA-N 2 2 291.399 0.800 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)C1CC1 ZINC000340727424 519705055 /nfs/dbraw/zinc/70/50/55/519705055.db2.gz SZVXKAVZZKALIL-LBPRGKRZSA-N 2 2 298.431 0.042 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)C1CC1 ZINC000340727424 519705056 /nfs/dbraw/zinc/70/50/56/519705056.db2.gz SZVXKAVZZKALIL-LBPRGKRZSA-N 2 2 298.431 0.042 20 0 CCADLP CC(C)NC(=O)C[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000340727424 519705058 /nfs/dbraw/zinc/70/50/58/519705058.db2.gz SZVXKAVZZKALIL-LBPRGKRZSA-N 2 2 298.431 0.042 20 0 CCADLP CC(C)NC(=O)C[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000340727424 519705059 /nfs/dbraw/zinc/70/50/59/519705059.db2.gz SZVXKAVZZKALIL-LBPRGKRZSA-N 2 2 298.431 0.042 20 0 CCADLP CCOC(=O)CCCCC[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000143466830 520627873 /nfs/dbraw/zinc/62/78/73/520627873.db2.gz ZRPQQNVRIOUQQJ-LBPRGKRZSA-N 2 2 258.362 0.769 20 0 CCADLP CCOC(=O)CCCCC[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000143466830 520627881 /nfs/dbraw/zinc/62/78/81/520627881.db2.gz ZRPQQNVRIOUQQJ-LBPRGKRZSA-N 2 2 258.362 0.769 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000417513343 545094023 /nfs/dbraw/zinc/09/40/23/545094023.db2.gz XQJRDAKVOAVCIO-CHWSQXEVSA-N 2 2 298.431 0.666 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000417513343 545094024 /nfs/dbraw/zinc/09/40/24/545094024.db2.gz XQJRDAKVOAVCIO-CHWSQXEVSA-N 2 2 298.431 0.666 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000449138420 533795541 /nfs/dbraw/zinc/79/55/41/533795541.db2.gz HXNIXYOBQZGZTF-OBJOEFQTSA-N 2 2 281.400 0.306 20 0 CCADLP COC(=O)Cn1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)nn1 ZINC000358347594 533810059 /nfs/dbraw/zinc/81/00/59/533810059.db2.gz UUROAEGRVFEVBC-WDEREUQCSA-N 2 2 281.360 0.023 20 0 CCADLP COC(=O)Cn1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)nn1 ZINC000358347594 533810064 /nfs/dbraw/zinc/81/00/64/533810064.db2.gz UUROAEGRVFEVBC-WDEREUQCSA-N 2 2 281.360 0.023 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000358521846 534017209 /nfs/dbraw/zinc/01/72/09/534017209.db2.gz PQABREWJAHAUMP-MCIONIFRSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@H](C[NH3+])C(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000423873604 534033334 /nfs/dbraw/zinc/03/33/34/534033334.db2.gz QWHWBJGLTVSLQB-YPMHNXCESA-N 2 2 269.389 0.150 20 0 CCADLP C[C@H](C[NH3+])C(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000423873604 534033342 /nfs/dbraw/zinc/03/33/42/534033342.db2.gz QWHWBJGLTVSLQB-YPMHNXCESA-N 2 2 269.389 0.150 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424450535 534062829 /nfs/dbraw/zinc/06/28/29/534062829.db2.gz ARCZGOZOFBXOBC-JHJVBQTASA-N 2 2 284.404 0.276 20 0 CCADLP C[C@H](O)CNc1cc(NC[C@@H](C2CC2)[NH+](C)C)nc[nH+]1 ZINC000413122341 534089463 /nfs/dbraw/zinc/08/94/63/534089463.db2.gz JNNUYGLXGUFXSB-JQWIXIFHSA-N 2 2 279.388 0.443 20 0 CCADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CCC[NH+]1C1CC1 ZINC000456196234 534343657 /nfs/dbraw/zinc/34/36/57/534343657.db2.gz CILOUIIOWRDWLL-ZNMIVQPWSA-N 2 2 293.411 0.593 20 0 CCADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CCC[NH+]1C1CC1 ZINC000456196234 534343661 /nfs/dbraw/zinc/34/36/61/534343661.db2.gz CILOUIIOWRDWLL-ZNMIVQPWSA-N 2 2 293.411 0.593 20 0 CCADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000456196234 534343674 /nfs/dbraw/zinc/34/36/74/534343674.db2.gz CILOUIIOWRDWLL-ZNMIVQPWSA-N 2 2 293.411 0.593 20 0 CCADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CCC[N@H+]1C1CC1 ZINC000456196234 534343677 /nfs/dbraw/zinc/34/36/77/534343677.db2.gz CILOUIIOWRDWLL-ZNMIVQPWSA-N 2 2 293.411 0.593 20 0 CCADLP Cc1ccn2c(C[NH2+]C[C@@]3(O)CC[N@@H+](C)C3)cnc2c1 ZINC000358175196 534347781 /nfs/dbraw/zinc/34/77/81/534347781.db2.gz ZQTCMXSWMDOUSB-HNNXBMFYSA-N 2 2 274.368 0.799 20 0 CCADLP Cc1ccn2c(C[NH2+]C[C@@]3(O)CC[N@H+](C)C3)cnc2c1 ZINC000358175196 534347786 /nfs/dbraw/zinc/34/77/86/534347786.db2.gz ZQTCMXSWMDOUSB-HNNXBMFYSA-N 2 2 274.368 0.799 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]([NH3+])C2CCC2)C[C@H]1[NH+]1CCOCC1 ZINC000423435767 534384086 /nfs/dbraw/zinc/38/40/86/534384086.db2.gz RQQWXRHTRHAEDL-MRVWCRGKSA-N 2 2 281.400 0.293 20 0 CCADLP C[C@@H]1CN(Cc2[nH+]ccn2C)[C@@H](C)C[N@@H+]1CCO ZINC000418120646 534475135 /nfs/dbraw/zinc/47/51/35/534475135.db2.gz WCYYLAQWSZYTPD-NEPJUHHUSA-N 2 2 252.362 0.307 20 0 CCADLP C[C@@H]1CN(Cc2[nH+]ccn2C)[C@@H](C)C[N@H+]1CCO ZINC000418120646 534475140 /nfs/dbraw/zinc/47/51/40/534475140.db2.gz WCYYLAQWSZYTPD-NEPJUHHUSA-N 2 2 252.362 0.307 20 0 CCADLP CCC[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000182721803 520723365 /nfs/dbraw/zinc/72/33/65/520723365.db2.gz LZWGXPCDKRMOKY-NWDGAFQWSA-N 2 2 262.357 0.904 20 0 CCADLP CC[N@H+](CCO)CC[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@H]1C ZINC000354639788 521122129 /nfs/dbraw/zinc/12/21/29/521122129.db2.gz UASOFMNYARTBMB-HZSPNIEDSA-N 2 2 286.416 0.868 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@H]1C ZINC000354639788 521122136 /nfs/dbraw/zinc/12/21/36/521122136.db2.gz UASOFMNYARTBMB-HZSPNIEDSA-N 2 2 286.416 0.868 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000262674200 522372828 /nfs/dbraw/zinc/37/28/28/522372828.db2.gz QKBKTAXELGOVFP-ZYHUDNBSSA-N 2 2 262.357 0.891 20 0 CCADLP C[N@H+]1C[C@H]2CN(c3cc[nH+]c(N4CCOCC4)n3)C[C@H]2C1 ZINC000365118645 524016437 /nfs/dbraw/zinc/01/64/37/524016437.db2.gz WETSUXAMHPUIHQ-BETUJISGSA-N 2 2 289.383 0.311 20 0 CCADLP C[N@@H+]1C[C@H]2CN(c3cc[nH+]c(N4CCOCC4)n3)C[C@H]2C1 ZINC000365118645 524016440 /nfs/dbraw/zinc/01/64/40/524016440.db2.gz WETSUXAMHPUIHQ-BETUJISGSA-N 2 2 289.383 0.311 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000262290184 524345254 /nfs/dbraw/zinc/34/52/54/524345254.db2.gz NLTWNVKSCPBUSP-MCIONIFRSA-N 2 2 282.432 0.256 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000049154581 524788057 /nfs/dbraw/zinc/78/80/57/524788057.db2.gz IQCGDJHLZSTFNK-VXGBXAGGSA-N 2 2 265.361 0.665 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000049154581 524788069 /nfs/dbraw/zinc/78/80/69/524788069.db2.gz IQCGDJHLZSTFNK-VXGBXAGGSA-N 2 2 265.361 0.665 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)Cc1[nH+]ccn1C ZINC000340743126 524957030 /nfs/dbraw/zinc/95/70/30/524957030.db2.gz LCRGZVOINOARSO-NSHDSACASA-N 2 2 276.344 0.847 20 0 CCADLP C[C@H]1CN(c2nc[nH+]c3c2OCCN3)C[C@H]1[NH+](C)C ZINC000665706090 545104358 /nfs/dbraw/zinc/10/43/58/545104358.db2.gz QLVFOVMCMUNUPA-VHSXEESVSA-N 2 2 263.345 0.667 20 0 CCADLP Cc1csc([C@@H]2C[N@H+](CCOCC[NH3+])CCO2)n1 ZINC000357081677 526422663 /nfs/dbraw/zinc/42/26/63/526422663.db2.gz WGVARPPLPBLNIE-NSHDSACASA-N 2 2 271.386 0.800 20 0 CCADLP Cc1csc([C@@H]2C[N@@H+](CCOCC[NH3+])CCO2)n1 ZINC000357081677 526422669 /nfs/dbraw/zinc/42/26/69/526422669.db2.gz WGVARPPLPBLNIE-NSHDSACASA-N 2 2 271.386 0.800 20 0 CCADLP C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000358051684 536480743 /nfs/dbraw/zinc/48/07/43/536480743.db2.gz RKXLTUCEVKNNSX-AWEZNQCLSA-N 2 2 274.324 0.131 20 0 CCADLP C[N@H+]1CC[C@](O)(CNC(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000358051684 536480747 /nfs/dbraw/zinc/48/07/47/536480747.db2.gz RKXLTUCEVKNNSX-AWEZNQCLSA-N 2 2 274.324 0.131 20 0 CCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H]1CCC[NH2+]1 ZINC000182631440 526971126 /nfs/dbraw/zinc/97/11/26/526971126.db2.gz YAYMKYNAVMWJHK-CYBMUJFWSA-N 2 2 290.367 0.917 20 0 CCADLP CC(C)(C[NH3+])C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000423801149 527069509 /nfs/dbraw/zinc/06/95/09/527069509.db2.gz MVCPPECIBJJPMC-NSHDSACASA-N 2 2 262.357 0.761 20 0 CCADLP CC(C)c1nn(C)c(N(C)C)c1C[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000667037229 545137671 /nfs/dbraw/zinc/13/76/71/545137671.db2.gz BFPRIFFHQBKJGZ-GFCCVEGCSA-N 2 2 295.431 0.688 20 0 CCADLP Cc1[nH+]cc(C[N@H+]2C[C@H](C(N)=O)CC[C@H]2C)n1C ZINC000667512317 545149032 /nfs/dbraw/zinc/14/90/32/545149032.db2.gz BPBLUEOQNVZGOU-MWLCHTKSSA-N 2 2 250.346 0.814 20 0 CCADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)n1C ZINC000667512317 545149033 /nfs/dbraw/zinc/14/90/33/545149033.db2.gz BPBLUEOQNVZGOU-MWLCHTKSSA-N 2 2 250.346 0.814 20 0 CCADLP COCC[N@H+](Cc1c[nH+]c(C)n1C)[C@@H]1CCOC1 ZINC000668081417 545162604 /nfs/dbraw/zinc/16/26/04/545162604.db2.gz YFFFUDREZBGRAM-GFCCVEGCSA-N 2 2 253.346 0.966 20 0 CCADLP COCC[N@@H+](Cc1c[nH+]c(C)n1C)[C@@H]1CCOC1 ZINC000668081417 545162605 /nfs/dbraw/zinc/16/26/05/545162605.db2.gz YFFFUDREZBGRAM-GFCCVEGCSA-N 2 2 253.346 0.966 20 0 CCADLP C[N@H+](CCOCCO)Cc1ccnn1-c1cc[nH+]cc1 ZINC000668109172 545163592 /nfs/dbraw/zinc/16/35/92/545163592.db2.gz WOTVXNXAAKKKCS-UHFFFAOYSA-N 2 2 276.340 0.708 20 0 CCADLP C[N@@H+](CCOCCO)Cc1ccnn1-c1cc[nH+]cc1 ZINC000668109172 545163593 /nfs/dbraw/zinc/16/35/93/545163593.db2.gz WOTVXNXAAKKKCS-UHFFFAOYSA-N 2 2 276.340 0.708 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000668163413 545165693 /nfs/dbraw/zinc/16/56/93/545165693.db2.gz SVGJDQOKBJBPFY-VXGBXAGGSA-N 2 2 265.361 0.713 20 0 CCADLP C(CN1CCOCC1)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428041383 527481659 /nfs/dbraw/zinc/48/16/59/527481659.db2.gz PNPZKYTYYJZVTA-KGLIPLIRSA-N 2 2 253.390 0.393 20 0 CCADLP C(CN1CCOCC1)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428041383 527481661 /nfs/dbraw/zinc/48/16/61/527481661.db2.gz PNPZKYTYYJZVTA-KGLIPLIRSA-N 2 2 253.390 0.393 20 0 CCADLP COCCn1nnc2c1CC[N@H+](Cc1c[nH+]c(C)n1C)C2 ZINC000668193893 545166766 /nfs/dbraw/zinc/16/67/66/545166766.db2.gz SKMGXTMACBEDIT-UHFFFAOYSA-N 2 2 290.371 0.525 20 0 CCADLP COCCn1nnc2c1CC[N@@H+](Cc1c[nH+]c(C)n1C)C2 ZINC000668193893 545166767 /nfs/dbraw/zinc/16/67/67/545166767.db2.gz SKMGXTMACBEDIT-UHFFFAOYSA-N 2 2 290.371 0.525 20 0 CCADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000668203807 545167128 /nfs/dbraw/zinc/16/71/28/545167128.db2.gz UCHZEMSKOPCHPU-RRFJBIMHSA-N 2 2 268.401 0.990 20 0 CCADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000668203807 545167129 /nfs/dbraw/zinc/16/71/29/545167129.db2.gz UCHZEMSKOPCHPU-RRFJBIMHSA-N 2 2 268.401 0.990 20 0 CCADLP C[C@H]1C[N@H+](CCO)CCN1Cc1c[nH+]c2n1CCC2 ZINC000668228308 545168638 /nfs/dbraw/zinc/16/86/38/545168638.db2.gz FRHYDUHKQJDJET-LBPRGKRZSA-N 2 2 264.373 0.328 20 0 CCADLP C[C@H]1C[N@@H+](CCO)CCN1Cc1c[nH+]c2n1CCC2 ZINC000668228308 545168639 /nfs/dbraw/zinc/16/86/39/545168639.db2.gz FRHYDUHKQJDJET-LBPRGKRZSA-N 2 2 264.373 0.328 20 0 CCADLP O[C@@H]1C[C@H]2CN(Cc3c[nH+]c4n3CCC4)CC[N@H+]2C1 ZINC000668296571 545171689 /nfs/dbraw/zinc/17/16/89/545171689.db2.gz SGADQKJNFBWEHD-WCQYABFASA-N 2 2 262.357 0.080 20 0 CCADLP CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000668505633 545179307 /nfs/dbraw/zinc/17/93/07/545179307.db2.gz BNHAVBJNKLUVAL-ZIAGYGMSSA-N 2 2 298.408 0.724 20 0 CCADLP C[N@H+](CCN1C(=O)c2ccccc2C1=O)CC1C[NH+](C)C1 ZINC000668540042 545180864 /nfs/dbraw/zinc/18/08/64/545180864.db2.gz UYDZPEOIDZSFSH-UHFFFAOYSA-N 2 2 287.363 0.776 20 0 CCADLP C[N@@H+](CCN1C(=O)c2ccccc2C1=O)CC1C[NH+](C)C1 ZINC000668540042 545180865 /nfs/dbraw/zinc/18/08/65/545180865.db2.gz UYDZPEOIDZSFSH-UHFFFAOYSA-N 2 2 287.363 0.776 20 0 CCADLP C[NH+](C)CCCCNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000668680816 545186776 /nfs/dbraw/zinc/18/67/76/545186776.db2.gz GITSTEXEYOBODF-NSHDSACASA-N 2 2 264.373 0.973 20 0 CCADLP C[NH+](C)CCCCNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000668680816 545186777 /nfs/dbraw/zinc/18/67/77/545186777.db2.gz GITSTEXEYOBODF-NSHDSACASA-N 2 2 264.373 0.973 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000355567655 527822019 /nfs/dbraw/zinc/82/20/19/527822019.db2.gz AYOBVTCEEIEGMQ-HNNXBMFYSA-N 2 2 298.475 0.716 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000355567655 527822028 /nfs/dbraw/zinc/82/20/28/527822028.db2.gz AYOBVTCEEIEGMQ-HNNXBMFYSA-N 2 2 298.475 0.716 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000355567655 527822031 /nfs/dbraw/zinc/82/20/31/527822031.db2.gz AYOBVTCEEIEGMQ-HNNXBMFYSA-N 2 2 298.475 0.716 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000355567655 527822038 /nfs/dbraw/zinc/82/20/38/527822038.db2.gz AYOBVTCEEIEGMQ-HNNXBMFYSA-N 2 2 298.475 0.716 20 0 CCADLP C[C@@H]1C[N@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@@]1(C)CO ZINC000668737123 545189659 /nfs/dbraw/zinc/18/96/59/545189659.db2.gz LSBUUGNRIKNULW-RISCZKNCSA-N 2 2 266.389 0.936 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@@]1(C)CO ZINC000668737123 545189660 /nfs/dbraw/zinc/18/96/60/545189660.db2.gz LSBUUGNRIKNULW-RISCZKNCSA-N 2 2 266.389 0.936 20 0 CCADLP CC1(C)[C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)[C@H]2CCCO[C@@H]21 ZINC000423572606 527869773 /nfs/dbraw/zinc/86/97/73/527869773.db2.gz OINYMRQCOIPVRC-LOWDOPEQSA-N 2 2 254.374 0.768 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669461678 545208903 /nfs/dbraw/zinc/20/89/03/545208903.db2.gz OECVZWFJVXEMFL-MCIONIFRSA-N 2 2 296.415 0.101 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669461678 545208904 /nfs/dbraw/zinc/20/89/04/545208904.db2.gz OECVZWFJVXEMFL-MCIONIFRSA-N 2 2 296.415 0.101 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000669690543 545218971 /nfs/dbraw/zinc/21/89/71/545218971.db2.gz HMPKNBHAWHBYIS-OAHLLOKOSA-N 2 2 290.411 0.924 20 0 CCADLP CC(C)[C@@H](CNC(=O)C=Cc1c[nH]c[nH+]1)[NH+]1CCOCC1 ZINC000493673137 528446449 /nfs/dbraw/zinc/44/64/49/528446449.db2.gz KMAJWZUWYNXDQH-VQTKUKTRSA-N 2 2 292.383 0.896 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000449117983 528539449 /nfs/dbraw/zinc/53/94/49/528539449.db2.gz QWOXMUMMHHFDHD-LBPRGKRZSA-N 2 2 271.405 0.602 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000449117983 528539453 /nfs/dbraw/zinc/53/94/53/528539453.db2.gz QWOXMUMMHHFDHD-LBPRGKRZSA-N 2 2 271.405 0.602 20 0 CCADLP C[C@@H](NC(=O)N1CC[NH+]2CCC1CC2)[C@H]1C[N@H+](C)CCO1 ZINC000671209463 545244077 /nfs/dbraw/zinc/24/40/77/545244077.db2.gz MGPQCVBJIWJOKD-TZMCWYRMSA-N 2 2 296.415 0.195 20 0 CCADLP C[C@@H](NC(=O)N1CC[NH+]2CCC1CC2)[C@H]1C[N@@H+](C)CCO1 ZINC000671209463 545244078 /nfs/dbraw/zinc/24/40/78/545244078.db2.gz MGPQCVBJIWJOKD-TZMCWYRMSA-N 2 2 296.415 0.195 20 0 CCADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)[C@@H](C)C1 ZINC000423527167 528669071 /nfs/dbraw/zinc/66/90/71/528669071.db2.gz RJUFDXTWPATGMJ-JYJNAYRXSA-N 3 2 299.459 0.701 20 0 CCADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)[C@@H](C)C1 ZINC000423527167 528669074 /nfs/dbraw/zinc/66/90/74/528669074.db2.gz RJUFDXTWPATGMJ-JYJNAYRXSA-N 3 2 299.459 0.701 20 0 CCADLP CC(C)[C@@H]1C[N@H+](C)CCN1CC(=O)N1CC[NH+](C)CC1 ZINC000425478932 528744056 /nfs/dbraw/zinc/74/40/56/528744056.db2.gz NQIPMMIEOIMGPI-AWEZNQCLSA-N 2 2 282.432 0.032 20 0 CCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1CC(=O)N1CC[NH+](C)CC1 ZINC000425478932 528744061 /nfs/dbraw/zinc/74/40/61/528744061.db2.gz NQIPMMIEOIMGPI-AWEZNQCLSA-N 2 2 282.432 0.032 20 0 CCADLP C[C@@H](C(=O)NCc1c[nH+]c2n1CCCC2)[NH+](C)C ZINC000671921596 545261173 /nfs/dbraw/zinc/26/11/73/545261173.db2.gz LXJLTFGRIIPRMH-JTQLQIEISA-N 2 2 250.346 0.786 20 0 CCADLP C[C@@H](C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C)[NH+](C)C ZINC000672209626 545264986 /nfs/dbraw/zinc/26/49/86/545264986.db2.gz TVENLPSZXBQVHJ-AVGNSLFASA-N 2 2 269.389 0.258 20 0 CCADLP CCCC[C@H](C[NH3+])NC(=O)N1CCn2c[nH+]cc2C1 ZINC000418446675 528939174 /nfs/dbraw/zinc/93/91/74/528939174.db2.gz OPBDHYVYRQWFMR-LLVKDONJSA-N 2 2 265.361 0.926 20 0 CCADLP CCC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000450433192 529026157 /nfs/dbraw/zinc/02/61/57/529026157.db2.gz DGWOSWWTTLZWOX-UONOGXRCSA-N 2 2 256.390 0.802 20 0 CCADLP CCC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000450433192 529026164 /nfs/dbraw/zinc/02/61/64/529026164.db2.gz DGWOSWWTTLZWOX-UONOGXRCSA-N 2 2 256.390 0.802 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)c1ccnc(C[NH3+])c1 ZINC000361627097 529132070 /nfs/dbraw/zinc/13/20/70/529132070.db2.gz LZQLDZATPQETQE-UHFFFAOYSA-N 2 2 292.383 0.381 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)c1ccnc(C[NH3+])c1 ZINC000361627097 529132072 /nfs/dbraw/zinc/13/20/72/529132072.db2.gz LZQLDZATPQETQE-UHFFFAOYSA-N 2 2 292.383 0.381 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@](O)(CC)C2)CC1 ZINC000425931275 529132548 /nfs/dbraw/zinc/13/25/48/529132548.db2.gz PPKKCIFPMPRQIQ-ZFWWWQNUSA-N 2 2 283.416 0.386 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@](O)(CC)C2)CC1 ZINC000425931275 529132550 /nfs/dbraw/zinc/13/25/50/529132550.db2.gz PPKKCIFPMPRQIQ-ZFWWWQNUSA-N 2 2 283.416 0.386 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)[C@@H]2CCC[C@H]2O)CC1 ZINC000352661536 529132581 /nfs/dbraw/zinc/13/25/81/529132581.db2.gz TWLWAXKVZWNHCG-BFHYXJOUSA-N 2 2 283.416 0.384 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)[C@@H]2CCC[C@H]2O)CC1 ZINC000352661536 529132583 /nfs/dbraw/zinc/13/25/83/529132583.db2.gz TWLWAXKVZWNHCG-BFHYXJOUSA-N 2 2 283.416 0.384 20 0 CCADLP CC[C@H]1CN(C(=O)C[NH2+]CC2CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000423875312 529269377 /nfs/dbraw/zinc/26/93/77/529269377.db2.gz MPWAADFFJSIEIP-GJZGRUSLSA-N 2 2 295.427 0.555 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)NC2CCC([NH3+])CC2)CCO1 ZINC000418383885 529293154 /nfs/dbraw/zinc/29/31/54/529293154.db2.gz JRNMZPMXRVUUPG-RUXDESIVSA-N 2 2 298.431 0.666 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)NC2CCC([NH3+])CC2)CCO1 ZINC000418383885 529293158 /nfs/dbraw/zinc/29/31/58/529293158.db2.gz JRNMZPMXRVUUPG-RUXDESIVSA-N 2 2 298.431 0.666 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)NC[C@H]([NH3+])C(C)C)CCO1 ZINC000418416738 529293344 /nfs/dbraw/zinc/29/33/44/529293344.db2.gz VXJZGOCGBCIAME-STQMWFEESA-N 2 2 286.420 0.380 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)NC[C@H]([NH3+])C(C)C)CCO1 ZINC000418416738 529293347 /nfs/dbraw/zinc/29/33/47/529293347.db2.gz VXJZGOCGBCIAME-STQMWFEESA-N 2 2 286.420 0.380 20 0 CCADLP CC[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CC[N@@H+]1C[C@H](C)O ZINC000493535661 529346869 /nfs/dbraw/zinc/34/68/69/529346869.db2.gz ZXTZPWYOYFUAPT-QITAHTHBSA-N 2 2 292.383 0.727 20 0 CCADLP CC[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CC[N@H+]1C[C@H](C)O ZINC000493535661 529346871 /nfs/dbraw/zinc/34/68/71/529346871.db2.gz ZXTZPWYOYFUAPT-QITAHTHBSA-N 2 2 292.383 0.727 20 0 CCADLP C[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+](C)C ZINC000674289748 545303005 /nfs/dbraw/zinc/30/30/05/545303005.db2.gz QMVCRRIDPABYBV-STQMWFEESA-N 3 2 282.432 0.221 20 0 CCADLP C[C@@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+](C)C ZINC000674289748 545303006 /nfs/dbraw/zinc/30/30/06/545303006.db2.gz QMVCRRIDPABYBV-STQMWFEESA-N 3 2 282.432 0.221 20 0 CCADLP O=C(C[NH+]1CCCC1)N1CC[NH+]([C@H]2CCCOC2)CC1 ZINC000674302269 545303630 /nfs/dbraw/zinc/30/36/30/545303630.db2.gz ZMAXTHLWQJAFIM-AWEZNQCLSA-N 2 2 281.400 0.405 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000674881151 545317470 /nfs/dbraw/zinc/31/74/70/545317470.db2.gz YPDMUZYHGVAHOY-KWCYVHTRSA-N 2 2 278.400 0.793 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000674881151 545317471 /nfs/dbraw/zinc/31/74/71/545317471.db2.gz YPDMUZYHGVAHOY-KWCYVHTRSA-N 2 2 278.400 0.793 20 0 CCADLP CCCCNC(=O)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000363220399 535282108 /nfs/dbraw/zinc/28/21/08/535282108.db2.gz ZROFNWVUKFILKY-OAHLLOKOSA-N 2 2 296.459 0.615 20 0 CCADLP CCCCNC(=O)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000363220399 535282111 /nfs/dbraw/zinc/28/21/11/535282111.db2.gz ZROFNWVUKFILKY-OAHLLOKOSA-N 2 2 296.459 0.615 20 0 CCADLP CCC[C@@H](C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)[NH+](C)C ZINC000343393824 535311919 /nfs/dbraw/zinc/31/19/19/535311919.db2.gz GFFSNSXMNAERKF-ZDUSSCGKSA-N 2 2 293.415 0.784 20 0 CCADLP Cn1ncc2c1CCC[C@@H]2[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000675781925 545331329 /nfs/dbraw/zinc/33/13/29/545331329.db2.gz HHLSTALSLYOTMD-ZDUSSCGKSA-N 2 2 291.399 0.161 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000676246605 545338466 /nfs/dbraw/zinc/33/84/66/545338466.db2.gz XLGHHFDIADHXKN-AAEUAGOBSA-N 2 2 295.387 0.210 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676246605 545338467 /nfs/dbraw/zinc/33/84/67/545338467.db2.gz XLGHHFDIADHXKN-AAEUAGOBSA-N 2 2 295.387 0.210 20 0 CCADLP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263081131 535534264 /nfs/dbraw/zinc/53/42/64/535534264.db2.gz XMAGLCGUUJQCRY-ZJUUUORDSA-N 2 2 261.316 0.584 20 0 CCADLP CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263081131 535534267 /nfs/dbraw/zinc/53/42/67/535534267.db2.gz XMAGLCGUUJQCRY-ZJUUUORDSA-N 2 2 261.316 0.584 20 0 CCADLP C[C@@H](Nc1cc[nH+]c(N(C)C)n1)[C@H]1C[N@H+](C)CCO1 ZINC000676314587 545341259 /nfs/dbraw/zinc/34/12/59/545341259.db2.gz GGOPXZNZDIWDFD-GHMZBOCLSA-N 2 2 265.361 0.674 20 0 CCADLP C[C@@H](Nc1cc[nH+]c(N(C)C)n1)[C@H]1C[N@@H+](C)CCO1 ZINC000676314587 545341260 /nfs/dbraw/zinc/34/12/60/545341260.db2.gz GGOPXZNZDIWDFD-GHMZBOCLSA-N 2 2 265.361 0.674 20 0 CCADLP C[C@H](Nc1[nH+]cnc2c1cnn2C)[C@@H]1C[N@H+](C)CCO1 ZINC000676315187 545341497 /nfs/dbraw/zinc/34/14/97/545341497.db2.gz ZCGVANZLMVTHAJ-ONGXEEELSA-N 2 2 276.344 0.494 20 0 CCADLP C[C@H](Nc1[nH+]cnc2c1cnn2C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676315187 545341498 /nfs/dbraw/zinc/34/14/98/545341498.db2.gz ZCGVANZLMVTHAJ-ONGXEEELSA-N 2 2 276.344 0.494 20 0 CCADLP CCC[C@H](O)CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000676753697 545351305 /nfs/dbraw/zinc/35/13/05/545351305.db2.gz AEFLPJIWOBVCMC-AWEZNQCLSA-N 2 2 285.432 0.680 20 0 CCADLP CCN1CC[NH+](CCCNC(=O)c2c[nH+]ccc2N)CC1 ZINC000444263523 535695662 /nfs/dbraw/zinc/69/56/62/535695662.db2.gz GVENDKGUINMIGS-UHFFFAOYSA-N 2 2 291.399 0.252 20 0 CCADLP CC[N@H+](CCC(=O)OC)C[C@H](O)C[NH+](C)C1CC1 ZINC000311155842 535710086 /nfs/dbraw/zinc/71/00/86/535710086.db2.gz OHKGRIMZRLLKPA-GFCCVEGCSA-N 2 2 258.362 0.327 20 0 CCADLP CC[N@@H+](CCC(=O)OC)C[C@H](O)C[NH+](C)C1CC1 ZINC000311155842 535710090 /nfs/dbraw/zinc/71/00/90/535710090.db2.gz OHKGRIMZRLLKPA-GFCCVEGCSA-N 2 2 258.362 0.327 20 0 CCADLP CC[NH+](CCC(=O)OC)C[C@H](O)C[N@H+](C)C1CC1 ZINC000311155842 535710094 /nfs/dbraw/zinc/71/00/94/535710094.db2.gz OHKGRIMZRLLKPA-GFCCVEGCSA-N 2 2 258.362 0.327 20 0 CCADLP CC[NH+](CCC(=O)OC)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000311155842 535710100 /nfs/dbraw/zinc/71/01/00/535710100.db2.gz OHKGRIMZRLLKPA-GFCCVEGCSA-N 2 2 258.362 0.327 20 0 CCADLP O=C(NCC[NH+]1CCC1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000676948274 545355543 /nfs/dbraw/zinc/35/55/43/545355543.db2.gz CZLOTGDKDCPXIN-HNNXBMFYSA-N 2 2 288.395 0.868 20 0 CCADLP O=C(NCC[NH+]1CCC1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000676948274 545355544 /nfs/dbraw/zinc/35/55/44/545355544.db2.gz CZLOTGDKDCPXIN-HNNXBMFYSA-N 2 2 288.395 0.868 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H](NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000347160904 535781907 /nfs/dbraw/zinc/78/19/07/535781907.db2.gz WCGQKJWMWITYEZ-DZGCQCFKSA-N 2 2 296.459 0.469 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H](NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000347160904 535781910 /nfs/dbraw/zinc/78/19/10/535781910.db2.gz WCGQKJWMWITYEZ-DZGCQCFKSA-N 2 2 296.459 0.469 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000677802759 545372809 /nfs/dbraw/zinc/37/28/09/545372809.db2.gz YYAUWPQGWIEFEE-LBPRGKRZSA-N 2 2 286.401 0.205 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000677802759 545372810 /nfs/dbraw/zinc/37/28/10/545372810.db2.gz YYAUWPQGWIEFEE-LBPRGKRZSA-N 2 2 286.401 0.205 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NCC[N@H+](C)C2CC2)no1 ZINC000359164598 535982343 /nfs/dbraw/zinc/98/23/43/535982343.db2.gz GVYICPIVHNONHQ-UHFFFAOYSA-N 2 2 266.345 0.560 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NCC[N@@H+](C)C2CC2)no1 ZINC000359164598 535982348 /nfs/dbraw/zinc/98/23/48/535982348.db2.gz GVYICPIVHNONHQ-UHFFFAOYSA-N 2 2 266.345 0.560 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@@H](O)C2CC2)CC1 ZINC000677891951 545375954 /nfs/dbraw/zinc/37/59/54/545375954.db2.gz GLFCRAZWZRUFQE-TZMCWYRMSA-N 2 2 283.416 0.242 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)C2CC2)CC1 ZINC000677891951 545375955 /nfs/dbraw/zinc/37/59/55/545375955.db2.gz GLFCRAZWZRUFQE-TZMCWYRMSA-N 2 2 283.416 0.242 20 0 CCADLP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000373023379 536043396 /nfs/dbraw/zinc/04/33/96/536043396.db2.gz HXTPBWDDHYZQGD-AWEZNQCLSA-N 2 2 291.395 0.809 20 0 CCADLP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000373023379 536043402 /nfs/dbraw/zinc/04/34/02/536043402.db2.gz HXTPBWDDHYZQGD-AWEZNQCLSA-N 2 2 291.395 0.809 20 0 CCADLP Cc1nn(C)cc1C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000678257886 545387512 /nfs/dbraw/zinc/38/75/12/545387512.db2.gz UCEINHVYNWISCS-INIZCTEOSA-N 2 2 291.443 0.940 20 0 CCADLP Cc1nn(C)cc1C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000678257886 545387513 /nfs/dbraw/zinc/38/75/13/545387513.db2.gz UCEINHVYNWISCS-INIZCTEOSA-N 2 2 291.443 0.940 20 0 CCADLP C[N@H+](CCC[NH+]1CCCC1)CCN1CCNC1=O ZINC000343939324 536346300 /nfs/dbraw/zinc/34/63/00/536346300.db2.gz MNKLECXTTCQBNW-UHFFFAOYSA-N 2 2 254.378 0.429 20 0 CCADLP C[N@@H+](CCC[NH+]1CCCC1)CCN1CCNC1=O ZINC000343939324 536346303 /nfs/dbraw/zinc/34/63/03/536346303.db2.gz MNKLECXTTCQBNW-UHFFFAOYSA-N 2 2 254.378 0.429 20 0 CCADLP C[NH2+][C@H](C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1cnn(C)c1 ZINC000262019827 536379875 /nfs/dbraw/zinc/37/98/75/536379875.db2.gz AGQQTHUBMZEBFO-KBPBESRZSA-N 2 2 291.399 0.377 20 0 CCADLP C[NH2+][C@H](C(=O)N1CC[N@H+]2CCCC[C@H]2C1)c1cnn(C)c1 ZINC000262019827 536379882 /nfs/dbraw/zinc/37/98/82/536379882.db2.gz AGQQTHUBMZEBFO-KBPBESRZSA-N 2 2 291.399 0.377 20 0 CCADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCCn3cc[nH+]c3)CC2)C1 ZINC000678887563 545399673 /nfs/dbraw/zinc/39/96/73/545399673.db2.gz UOSXDRMOEJSVRJ-MRXNPFEDSA-N 3 2 291.443 0.985 20 0 CCADLP C[N@H+]1CCC[C@@H](N2CC[NH+](CCCn3cc[nH+]c3)CC2)C1 ZINC000678887563 545399674 /nfs/dbraw/zinc/39/96/74/545399674.db2.gz UOSXDRMOEJSVRJ-MRXNPFEDSA-N 3 2 291.443 0.985 20 0 CCADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)[nH]1 ZINC000347137479 536670397 /nfs/dbraw/zinc/67/03/97/536670397.db2.gz ULWXUPNKHVZVPG-MWLCHTKSSA-N 2 2 251.330 0.970 20 0 CCADLP COC(=O)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)[nH]1 ZINC000347137479 536670405 /nfs/dbraw/zinc/67/04/05/536670405.db2.gz ULWXUPNKHVZVPG-MWLCHTKSSA-N 2 2 251.330 0.970 20 0 CCADLP COCCn1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000357116976 536843092 /nfs/dbraw/zinc/84/30/92/536843092.db2.gz CIVIOOWVJYDGMZ-ZIAGYGMSSA-N 2 2 264.373 0.571 20 0 CCADLP COCCn1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000357116976 536843101 /nfs/dbraw/zinc/84/31/01/536843101.db2.gz CIVIOOWVJYDGMZ-ZIAGYGMSSA-N 2 2 264.373 0.571 20 0 CCADLP C[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000680590266 545432986 /nfs/dbraw/zinc/43/29/86/545432986.db2.gz NZVRQVBKAYRTHD-RISCZKNCSA-N 2 2 292.383 0.597 20 0 CCADLP C[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000680590266 545432987 /nfs/dbraw/zinc/43/29/87/545432987.db2.gz NZVRQVBKAYRTHD-RISCZKNCSA-N 2 2 292.383 0.597 20 0 CCADLP Cn1nc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c2ccccc21 ZINC000680815005 545434989 /nfs/dbraw/zinc/43/49/89/545434989.db2.gz GVAROXFEVCBGDA-HNNXBMFYSA-N 2 2 274.368 0.730 20 0 CCADLP Cn1nc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c2ccccc21 ZINC000680815005 545434990 /nfs/dbraw/zinc/43/49/90/545434990.db2.gz GVAROXFEVCBGDA-HNNXBMFYSA-N 2 2 274.368 0.730 20 0 CCADLP CO[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000681178814 545444614 /nfs/dbraw/zinc/44/46/14/545444614.db2.gz USDBXDCFGFGARZ-HIFRSBDPSA-N 2 2 297.443 0.942 20 0 CCADLP CO[C@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000681178814 545444615 /nfs/dbraw/zinc/44/46/15/545444615.db2.gz USDBXDCFGFGARZ-HIFRSBDPSA-N 2 2 297.443 0.942 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]C2CCC3(CCCO3)CC2)CC1 ZINC000682642150 545486374 /nfs/dbraw/zinc/48/63/74/545486374.db2.gz NRKOACUBBVJJRT-UHFFFAOYSA-N 2 2 295.427 0.842 20 0 CCADLP CCN1OC[C@@H]([NH+]2CCC(C[NH+]3CCOCC3)CC2)C1=O ZINC000682678023 545487177 /nfs/dbraw/zinc/48/71/77/545487177.db2.gz YVDZQIWPCGWGDL-CQSZACIVSA-N 2 2 297.399 0.193 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000683667442 545556177 /nfs/dbraw/zinc/55/61/77/545556177.db2.gz DDZQITFPCVLAOF-KKUMJFAQSA-N 2 2 288.432 0.861 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000683667442 545556180 /nfs/dbraw/zinc/55/61/80/545556180.db2.gz DDZQITFPCVLAOF-KKUMJFAQSA-N 2 2 288.432 0.861 20 0 CCADLP Cc1c(NC(=[NH2+])SCC[NH3+])cncc1C(N)=O ZINC001167912951 791664895 /nfs/dbraw/zinc/66/48/95/791664895.db2.gz UFEKYCDABJWGMH-UHFFFAOYSA-N 2 2 253.331 0.527 20 0 CCADLP CC[N@H+](C[C@H](O)C[NH+]1CCCC1)C[C@@H](O)C(F)(F)F ZINC000778196124 581144734 /nfs/dbraw/zinc/14/47/34/581144734.db2.gz BVFOUFMAUYPPHQ-WDEREUQCSA-N 2 2 284.322 0.688 20 0 CCADLP CC[N@@H+](C[C@H](O)C[NH+]1CCCC1)C[C@@H](O)C(F)(F)F ZINC000778196124 581144735 /nfs/dbraw/zinc/14/47/35/581144735.db2.gz BVFOUFMAUYPPHQ-WDEREUQCSA-N 2 2 284.322 0.688 20 0 CCADLP c1cn(-c2ccc(C[N@@H+]3CCc4nn[nH]c4C3)cn2)c[nH+]1 ZINC000788467433 581112777 /nfs/dbraw/zinc/11/27/77/581112777.db2.gz HFDNSJGYYWGATD-UHFFFAOYSA-N 2 2 281.323 0.944 20 0 CCADLP c1cn(-c2ccc(C[N@H+]3CCc4nn[nH]c4C3)cn2)c[nH+]1 ZINC000788467433 581112779 /nfs/dbraw/zinc/11/27/79/581112779.db2.gz HFDNSJGYYWGATD-UHFFFAOYSA-N 2 2 281.323 0.944 20 0 CCADLP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cocn2)CC1 ZINC000395066000 581170544 /nfs/dbraw/zinc/17/05/44/581170544.db2.gz IGDKMBPQHLWJMZ-UHFFFAOYSA-N 2 2 252.362 0.790 20 0 CCADLP CCNS(=O)(=O)CC[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000792955795 581277797 /nfs/dbraw/zinc/27/77/97/581277797.db2.gz IOUYIAGJYJEUEM-UHFFFAOYSA-N 2 2 285.413 0.852 20 0 CCADLP CC(C)C(=O)N1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000727931578 581341640 /nfs/dbraw/zinc/34/16/40/581341640.db2.gz PRHDQWNLTOJIQW-OAHLLOKOSA-N 2 2 297.443 0.633 20 0 CCADLP CC(C)C(=O)N1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000727931578 581341642 /nfs/dbraw/zinc/34/16/42/581341642.db2.gz PRHDQWNLTOJIQW-OAHLLOKOSA-N 2 2 297.443 0.633 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]CC1CCC2(CC1)OCCO2 ZINC000795961646 581428641 /nfs/dbraw/zinc/42/86/41/581428641.db2.gz CXQGJXWXGGMNNY-UHFFFAOYSA-N 2 2 286.416 0.824 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]CC1CCC2(CC1)OCCO2 ZINC000795961646 581428643 /nfs/dbraw/zinc/42/86/43/581428643.db2.gz CXQGJXWXGGMNNY-UHFFFAOYSA-N 2 2 286.416 0.824 20 0 CCADLP CCOC(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)OCC ZINC000788002898 581484568 /nfs/dbraw/zinc/48/45/68/581484568.db2.gz CEAGQYYXZOBWEB-UHFFFAOYSA-N 2 2 268.361 0.931 20 0 CCADLP C[NH+](C)CCNC(=S)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000753675568 581550338 /nfs/dbraw/zinc/55/03/38/581550338.db2.gz IUOWEFKRMREDII-GFCCVEGCSA-N 2 2 293.440 0.686 20 0 CCADLP C[C@H]1CN(C(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)CCO1 ZINC000729265876 581569963 /nfs/dbraw/zinc/56/99/63/581569963.db2.gz QWYYYVXFOQCRHK-KBPBESRZSA-N 2 2 292.383 0.767 20 0 CCADLP C[C@H]1CN(C(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)CCO1 ZINC000729265876 581569965 /nfs/dbraw/zinc/56/99/65/581569965.db2.gz QWYYYVXFOQCRHK-KBPBESRZSA-N 2 2 292.383 0.767 20 0 CCADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000729681647 581610079 /nfs/dbraw/zinc/61/00/79/581610079.db2.gz GRWKYJQYBFBXII-CYBMUJFWSA-N 2 2 283.397 0.852 20 0 CCADLP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000729681647 581610084 /nfs/dbraw/zinc/61/00/84/581610084.db2.gz GRWKYJQYBFBXII-CYBMUJFWSA-N 2 2 283.397 0.852 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000745794207 581640893 /nfs/dbraw/zinc/64/08/93/581640893.db2.gz XXGVJSQREAEHTL-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000745794207 581640894 /nfs/dbraw/zinc/64/08/94/581640894.db2.gz XXGVJSQREAEHTL-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH+]1CCC[C@H]1CNC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000745794207 581640896 /nfs/dbraw/zinc/64/08/96/581640896.db2.gz XXGVJSQREAEHTL-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CN1CC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000756117549 581656916 /nfs/dbraw/zinc/65/69/16/581656916.db2.gz BWOGOMZFCBPKSU-GJZGRUSLSA-N 2 2 267.417 0.924 20 0 CCADLP COC(=O)N1CCC[C@H]([NH2+][C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000756112567 581657117 /nfs/dbraw/zinc/65/71/17/581657117.db2.gz DBMFNYPEAGEBNP-GRYCIOLGSA-N 2 2 255.362 0.757 20 0 CCADLP COC(=O)N1CCC[C@H]([NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000756112567 581657119 /nfs/dbraw/zinc/65/71/19/581657119.db2.gz DBMFNYPEAGEBNP-GRYCIOLGSA-N 2 2 255.362 0.757 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000352956178 581843220 /nfs/dbraw/zinc/84/32/20/581843220.db2.gz CCIMRVSISQOANI-CYBMUJFWSA-N 2 2 280.372 0.569 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000352956178 581843227 /nfs/dbraw/zinc/84/32/27/581843227.db2.gz CCIMRVSISQOANI-CYBMUJFWSA-N 2 2 280.372 0.569 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000352956178 581843232 /nfs/dbraw/zinc/84/32/32/581843232.db2.gz CCIMRVSISQOANI-CYBMUJFWSA-N 2 2 280.372 0.569 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000352956178 581843235 /nfs/dbraw/zinc/84/32/35/581843235.db2.gz CCIMRVSISQOANI-CYBMUJFWSA-N 2 2 280.372 0.569 20 0 CCADLP CNC(=S)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732720246 581844719 /nfs/dbraw/zinc/84/47/19/581844719.db2.gz GJBWXZNUNKUEAS-JTQLQIEISA-N 2 2 256.419 0.249 20 0 CCADLP CNC(=S)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732720246 581844722 /nfs/dbraw/zinc/84/47/22/581844722.db2.gz GJBWXZNUNKUEAS-JTQLQIEISA-N 2 2 256.419 0.249 20 0 CCADLP CCNC(=S)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732720550 581844679 /nfs/dbraw/zinc/84/46/79/581844679.db2.gz JQAALYDMKBLUGQ-NSHDSACASA-N 2 2 270.446 0.639 20 0 CCADLP CCNC(=S)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732720550 581844683 /nfs/dbraw/zinc/84/46/83/581844683.db2.gz JQAALYDMKBLUGQ-NSHDSACASA-N 2 2 270.446 0.639 20 0 CCADLP CC(C)[NH+]1CCN(C2CC[NH+]([C@H]3CCOC3=O)CC2)CC1 ZINC000761123325 581890262 /nfs/dbraw/zinc/89/02/62/581890262.db2.gz KXSULXKHXOQZBH-HNNXBMFYSA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)c1[nH+]ccn1CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000746255774 581905062 /nfs/dbraw/zinc/90/50/62/581905062.db2.gz RQIPEOCCXOLOMW-GFCCVEGCSA-N 2 2 280.372 0.453 20 0 CCADLP CC(C)c1[nH+]ccn1CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000746255774 581905066 /nfs/dbraw/zinc/90/50/66/581905066.db2.gz RQIPEOCCXOLOMW-GFCCVEGCSA-N 2 2 280.372 0.453 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000763043378 581979863 /nfs/dbraw/zinc/97/98/63/581979863.db2.gz FGMLEYVBZFXPDM-UHFFFAOYSA-N 2 2 283.416 0.651 20 0 CCADLP CON(C)C(=O)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000774641916 581985752 /nfs/dbraw/zinc/98/57/52/581985752.db2.gz INQCOKKNLKLDRN-CYBMUJFWSA-N 2 2 269.389 0.670 20 0 CCADLP CON(C)C(=O)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000774641916 581985754 /nfs/dbraw/zinc/98/57/54/581985754.db2.gz INQCOKKNLKLDRN-CYBMUJFWSA-N 2 2 269.389 0.670 20 0 CCADLP CON(C)C(=O)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000774641916 581985756 /nfs/dbraw/zinc/98/57/56/581985756.db2.gz INQCOKKNLKLDRN-CYBMUJFWSA-N 2 2 269.389 0.670 20 0 CCADLP CON(C)C(=O)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000774641916 581985758 /nfs/dbraw/zinc/98/57/58/581985758.db2.gz INQCOKKNLKLDRN-CYBMUJFWSA-N 2 2 269.389 0.670 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H](O)C[NH+]1CCCC1 ZINC000774745493 581993761 /nfs/dbraw/zinc/99/37/61/581993761.db2.gz QEGMUCYWAGMMQW-CQSZACIVSA-N 3 2 266.389 0.662 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H](O)C[NH+]1CCCC1 ZINC000774745493 581993767 /nfs/dbraw/zinc/99/37/67/581993767.db2.gz QEGMUCYWAGMMQW-CQSZACIVSA-N 3 2 266.389 0.662 20 0 CCADLP C[N@H+](CCCn1ccnc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000774745493 581993769 /nfs/dbraw/zinc/99/37/69/581993769.db2.gz QEGMUCYWAGMMQW-CQSZACIVSA-N 2 2 266.389 0.662 20 0 CCADLP C[N@@H+](CCCn1ccnc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000774745493 581993772 /nfs/dbraw/zinc/99/37/72/581993772.db2.gz QEGMUCYWAGMMQW-CQSZACIVSA-N 2 2 266.389 0.662 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)NCCNc1cccc(C)[nH+]1 ZINC000775605511 582032088 /nfs/dbraw/zinc/03/20/88/582032088.db2.gz FOKLYPZCADZIJU-ZDUSSCGKSA-N 2 2 292.383 0.639 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)NCCNc1cccc(C)[nH+]1 ZINC000775605511 582032089 /nfs/dbraw/zinc/03/20/89/582032089.db2.gz FOKLYPZCADZIJU-ZDUSSCGKSA-N 2 2 292.383 0.639 20 0 CCADLP O=C(NCC[NH+]1CCC1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000752297431 582103388 /nfs/dbraw/zinc/10/33/88/582103388.db2.gz KZTWYBVYYUXDNU-UHFFFAOYSA-N 2 2 271.324 0.703 20 0 CCADLP C[C@@H]([NH3+])C[N@H+](C)C[C@@H](O)COc1ccc(F)cc1 ZINC000923412010 617175336 /nfs/dbraw/zinc/17/53/36/617175336.db2.gz VPEJQHGLLRRMGG-ZYHUDNBSSA-N 2 2 256.321 0.844 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+](C)C[C@@H](O)COc1ccc(F)cc1 ZINC000923412010 617175337 /nfs/dbraw/zinc/17/53/37/617175337.db2.gz VPEJQHGLLRRMGG-ZYHUDNBSSA-N 2 2 256.321 0.844 20 0 CCADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)c1ccccc1 ZINC000925545085 617177325 /nfs/dbraw/zinc/17/73/25/617177325.db2.gz WWXMLUDVDYBESN-TZMCWYRMSA-N 2 2 299.440 0.946 20 0 CCADLP C[C@@H](O)C[NH2+]C1CC2(CC(NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC000965947336 649943578 /nfs/dbraw/zinc/94/35/78/649943578.db2.gz INLUVAPGZOCTER-PEGDAGBESA-N 2 2 292.383 0.281 20 0 CCADLP CSC1(C[NH2+][C@H]2C[NH2+]CCOC2)CCOCC1 ZINC000925571242 617205508 /nfs/dbraw/zinc/20/55/08/617205508.db2.gz BOVWRGNZZBNZMM-NSHDSACASA-N 2 2 260.403 0.477 20 0 CCADLP CC(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000860172920 613886668 /nfs/dbraw/zinc/88/66/68/613886668.db2.gz QRRSTFNJCGEMIT-CABCVRRESA-N 2 2 283.416 0.434 20 0 CCADLP CC(=O)NC[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000860172920 613886671 /nfs/dbraw/zinc/88/66/71/613886671.db2.gz QRRSTFNJCGEMIT-CABCVRRESA-N 2 2 283.416 0.434 20 0 CCADLP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000884405285 614116911 /nfs/dbraw/zinc/11/69/11/614116911.db2.gz MFZRXCTUAIMTJD-UONOGXRCSA-N 2 2 297.443 0.929 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000911825547 614119104 /nfs/dbraw/zinc/11/91/04/614119104.db2.gz ISCSMXPKHUEBNU-JQWIXIFHSA-N 2 2 250.346 0.545 20 0 CCADLP CC(C)COC[C@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000923399075 614168149 /nfs/dbraw/zinc/16/81/49/614168149.db2.gz NXMAGDSTTAZSJF-CHWSQXEVSA-N 2 2 256.390 0.894 20 0 CCADLP CC(=O)OC[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000895436026 614225366 /nfs/dbraw/zinc/22/53/66/614225366.db2.gz NFXYKAUCSUDHSI-SMDDNHRTSA-N 2 2 270.373 0.781 20 0 CCADLP COc1cccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000855414947 617291232 /nfs/dbraw/zinc/29/12/32/617291232.db2.gz NNLIVBHBWYJDAP-UHFFFAOYSA-N 2 2 294.399 0.704 20 0 CCADLP COc1cccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000855414947 617291233 /nfs/dbraw/zinc/29/12/33/617291233.db2.gz NNLIVBHBWYJDAP-UHFFFAOYSA-N 2 2 294.399 0.704 20 0 CCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931304036 617299229 /nfs/dbraw/zinc/29/92/29/617299229.db2.gz KBKPIXRRTVNYFO-FPMFFAJLSA-N 2 2 253.390 0.737 20 0 CCADLP C[C@@H](C(=O)N(C)C)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931304036 617299231 /nfs/dbraw/zinc/29/92/31/617299231.db2.gz KBKPIXRRTVNYFO-FPMFFAJLSA-N 2 2 253.390 0.737 20 0 CCADLP C[C@@H](C(=O)N(C)C)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931304036 617299232 /nfs/dbraw/zinc/29/92/32/617299232.db2.gz KBKPIXRRTVNYFO-FPMFFAJLSA-N 2 2 253.390 0.737 20 0 CCADLP C[C@@H](C(=O)N(C)C)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931304036 617299233 /nfs/dbraw/zinc/29/92/33/617299233.db2.gz KBKPIXRRTVNYFO-FPMFFAJLSA-N 2 2 253.390 0.737 20 0 CCADLP C([NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000925831893 613230806 /nfs/dbraw/zinc/23/08/06/613230806.db2.gz MUCZPJABGWFBKU-NIFZNCRKSA-N 2 2 282.384 0.147 20 0 CCADLP C/C(=C/C(=O)NOC1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000908030573 613238387 /nfs/dbraw/zinc/23/83/87/613238387.db2.gz XNGSSULNUFCWMP-QBFSEMIESA-N 2 2 297.399 0.407 20 0 CCADLP C/C(=C\C(=O)N1CC([NH+]2CCCC2)C1)C[NH+]1CCOCC1 ZINC000912321917 613249030 /nfs/dbraw/zinc/24/90/30/613249030.db2.gz MJTDCSCCBXVMMK-GXDHUFHOSA-N 2 2 293.411 0.572 20 0 CCADLP C/C(=C\C(=O)N1CC[N@@H+](C)C(C)(C)C1)C[NH+]1CCOCC1 ZINC000907976822 613250447 /nfs/dbraw/zinc/25/04/47/613250447.db2.gz YLKIWNYVDQXBRP-SDNWHVSQSA-N 2 2 295.427 0.818 20 0 CCADLP C/C(=C\C(=O)N1CC[N@H+](C)C(C)(C)C1)C[NH+]1CCOCC1 ZINC000907976822 613250449 /nfs/dbraw/zinc/25/04/49/613250449.db2.gz YLKIWNYVDQXBRP-SDNWHVSQSA-N 2 2 295.427 0.818 20 0 CCADLP C/C(=C\C(=O)NC1CC([NH+](C)C)C1)C[NH+]1CCOCC1 ZINC000908012275 613255273 /nfs/dbraw/zinc/25/52/73/613255273.db2.gz MKKLDIHXZRGPKA-XYOKQWHBSA-N 2 2 281.400 0.474 20 0 CCADLP CC(C)N1C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1=O ZINC000925581763 613894467 /nfs/dbraw/zinc/89/44/67/613894467.db2.gz UWCGZDUQXDIFDS-MDFWMIKMSA-N 2 2 263.385 0.582 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000869233155 613926585 /nfs/dbraw/zinc/92/65/85/613926585.db2.gz CKLBXBZNUHPWPG-ZRUQZJFASA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000869233155 613926588 /nfs/dbraw/zinc/92/65/88/613926588.db2.gz CKLBXBZNUHPWPG-ZRUQZJFASA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)OC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880140320 614028616 /nfs/dbraw/zinc/02/86/16/614028616.db2.gz HVRDDEDZEULJFL-BFHYXJOUSA-N 2 2 256.390 0.941 20 0 CCADLP CC(C)OC[C@@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880140320 614028618 /nfs/dbraw/zinc/02/86/18/614028618.db2.gz HVRDDEDZEULJFL-BFHYXJOUSA-N 2 2 256.390 0.941 20 0 CCADLP CC(C)OC[C@@H](O)C[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880140320 614028621 /nfs/dbraw/zinc/02/86/21/614028621.db2.gz HVRDDEDZEULJFL-BFHYXJOUSA-N 2 2 256.390 0.941 20 0 CCADLP CC(C)OC[C@@H](O)C[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880140320 614028624 /nfs/dbraw/zinc/02/86/24/614028624.db2.gz HVRDDEDZEULJFL-BFHYXJOUSA-N 2 2 256.390 0.941 20 0 CCADLP CC(C)OC[C@H](O)C[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000871971150 614036928 /nfs/dbraw/zinc/03/69/28/614036928.db2.gz HRHWDJGKVDKGRJ-SOUVJXGZSA-N 2 2 288.432 0.861 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000949046292 614091506 /nfs/dbraw/zinc/09/15/06/614091506.db2.gz NCMXHUGBXNDUKD-CQSZACIVSA-N 2 2 283.416 0.243 20 0 CCADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000949046292 614091509 /nfs/dbraw/zinc/09/15/09/614091509.db2.gz NCMXHUGBXNDUKD-CQSZACIVSA-N 2 2 283.416 0.243 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C[C@@H](O)C2(O)CCC2)C1 ZINC000899875185 614098658 /nfs/dbraw/zinc/09/86/58/614098658.db2.gz CSUCAVWLIWJEFE-UONOGXRCSA-N 2 2 286.416 0.209 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C[C@@H](O)C2(O)CCC2)C1 ZINC000899875185 614098659 /nfs/dbraw/zinc/09/86/59/614098659.db2.gz CSUCAVWLIWJEFE-UONOGXRCSA-N 2 2 286.416 0.209 20 0 CCADLP CC(C)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000970484563 614148459 /nfs/dbraw/zinc/14/84/59/614148459.db2.gz JUROINKZQNVBOW-GFCCVEGCSA-N 2 2 264.373 0.809 20 0 CCADLP CC(C)([NH3+])CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000925741274 614161017 /nfs/dbraw/zinc/16/10/17/614161017.db2.gz OJSWTBAULVMZOL-YNEHKIRRSA-N 3 2 255.406 0.861 20 0 CCADLP CC(C)[C@H](C(=O)N[C@H](CO)c1c[nH+]cn1C)[NH+](C)C ZINC000898884259 614191994 /nfs/dbraw/zinc/19/19/94/614191994.db2.gz QQHWCPMVLHYCDT-ZYHUDNBSSA-N 2 2 268.361 0.156 20 0 CCADLP CC(C)C[C@](C)(C[NH3+])NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876537100 614228873 /nfs/dbraw/zinc/22/88/73/614228873.db2.gz WWPSPBZXMBRTAX-MBVDDHJVSA-N 2 2 283.416 0.755 20 0 CCADLP CC(=O)[C@](C)(O)C[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931314371 614244193 /nfs/dbraw/zinc/24/41/93/614244193.db2.gz NARPEJDRFFEOAS-MELADBBJSA-N 2 2 254.374 0.600 20 0 CCADLP CC(C)[C@H]1CN(C(=O)CNc2cccc[nH+]2)CC[NH2+]1 ZINC000912765998 614268871 /nfs/dbraw/zinc/26/88/71/614268871.db2.gz NWSKXJAOQVQVRE-GFCCVEGCSA-N 2 2 262.357 0.950 20 0 CCADLP CC(C)N1C(=O)CN(C[N@H+](C)CCCn2cc[nH+]c2)C1=O ZINC000130584689 614312001 /nfs/dbraw/zinc/31/20/01/614312001.db2.gz HIWKTPLNIWIWOU-UHFFFAOYSA-N 2 2 293.371 0.835 20 0 CCADLP CC(C)N1C(=O)CN(C[N@@H+](C)CCCn2cc[nH+]c2)C1=O ZINC000130584689 614312003 /nfs/dbraw/zinc/31/20/03/614312003.db2.gz HIWKTPLNIWIWOU-UHFFFAOYSA-N 2 2 293.371 0.835 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)CCC[NH+](C)C ZINC000824957596 614343095 /nfs/dbraw/zinc/34/30/95/614343095.db2.gz OJNLTSIYDZDKFR-OAHLLOKOSA-N 3 2 298.475 0.859 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)CCC[NH+](C)C ZINC000824957596 614343097 /nfs/dbraw/zinc/34/30/97/614343097.db2.gz OJNLTSIYDZDKFR-OAHLLOKOSA-N 3 2 298.475 0.859 20 0 CCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000824957596 614343100 /nfs/dbraw/zinc/34/31/00/614343100.db2.gz OJNLTSIYDZDKFR-OAHLLOKOSA-N 3 2 298.475 0.859 20 0 CCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000824957596 614343102 /nfs/dbraw/zinc/34/31/02/614343102.db2.gz OJNLTSIYDZDKFR-OAHLLOKOSA-N 3 2 298.475 0.859 20 0 CCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000932127569 614350543 /nfs/dbraw/zinc/35/05/43/614350543.db2.gz XBNUXUVOAOIOJH-KGLIPLIRSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000932127569 614350545 /nfs/dbraw/zinc/35/05/45/614350545.db2.gz XBNUXUVOAOIOJH-KGLIPLIRSA-N 2 2 283.416 0.384 20 0 CCADLP CC1CC(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000903744858 614411300 /nfs/dbraw/zinc/41/13/00/614411300.db2.gz XZCNWQNHNNRVHS-RUXDESIVSA-N 2 2 265.401 0.929 20 0 CCADLP CC1CC(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000903744858 614411303 /nfs/dbraw/zinc/41/13/03/614411303.db2.gz XZCNWQNHNNRVHS-RUXDESIVSA-N 2 2 265.401 0.929 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000877432528 614446955 /nfs/dbraw/zinc/44/69/55/614446955.db2.gz FIUXXVIJQNCFMR-OCCSQVGLSA-N 2 2 271.405 0.731 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000877432528 614446956 /nfs/dbraw/zinc/44/69/56/614446956.db2.gz FIUXXVIJQNCFMR-OCCSQVGLSA-N 2 2 271.405 0.731 20 0 CCADLP CCC[N@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972612495 614544622 /nfs/dbraw/zinc/54/46/22/614544622.db2.gz LPZUKKUHOPIKRH-NSHDSACASA-N 2 2 250.346 0.895 20 0 CCADLP CCC[N@@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972612495 614544626 /nfs/dbraw/zinc/54/46/26/614544626.db2.gz LPZUKKUHOPIKRH-NSHDSACASA-N 2 2 250.346 0.895 20 0 CCADLP CCC[N@H+](CC)CCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000866300838 614569417 /nfs/dbraw/zinc/56/94/17/614569417.db2.gz FDHMGBZCPJIPSD-AATRIKPKSA-N 2 2 283.416 0.723 20 0 CCADLP CCC[N@@H+](CC)CCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000866300838 614569421 /nfs/dbraw/zinc/56/94/21/614569421.db2.gz FDHMGBZCPJIPSD-AATRIKPKSA-N 2 2 283.416 0.723 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]([NH3+])CC2CC2)CCO1 ZINC000884206429 614655734 /nfs/dbraw/zinc/65/57/34/614655734.db2.gz UXNVSHQNNHTHOT-LBPRGKRZSA-N 2 2 269.389 0.341 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]([NH3+])CC2CC2)CCO1 ZINC000884206429 614655736 /nfs/dbraw/zinc/65/57/36/614655736.db2.gz UXNVSHQNNHTHOT-LBPRGKRZSA-N 2 2 269.389 0.341 20 0 CCADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+]([C@H](C)COC)C1 ZINC000949780344 614671059 /nfs/dbraw/zinc/67/10/59/614671059.db2.gz JVYOFCQLRUSGOJ-TZMCWYRMSA-N 2 2 283.416 0.648 20 0 CCADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)C1C[NH+]([C@H](C)COC)C1 ZINC000949780344 614671060 /nfs/dbraw/zinc/67/10/60/614671060.db2.gz JVYOFCQLRUSGOJ-TZMCWYRMSA-N 2 2 283.416 0.648 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872207902 614683651 /nfs/dbraw/zinc/68/36/51/614683651.db2.gz HYFLIBCPJVNMPK-STQMWFEESA-N 2 2 258.406 0.972 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872207902 614683653 /nfs/dbraw/zinc/68/36/53/614683653.db2.gz HYFLIBCPJVNMPK-STQMWFEESA-N 2 2 258.406 0.972 20 0 CCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000841088328 614807211 /nfs/dbraw/zinc/80/72/11/614807211.db2.gz ZFORPBLIMLJWIR-ZDUSSCGKSA-N 2 2 277.368 0.781 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1C(=O)NCC1(CC)CC ZINC000933284274 614852114 /nfs/dbraw/zinc/85/21/14/614852114.db2.gz GCDJFBDVSXWYMX-NWDGAFQWSA-N 2 2 271.405 0.193 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1C(=O)NCC1(CC)CC ZINC000933284274 614852116 /nfs/dbraw/zinc/85/21/16/614852116.db2.gz GCDJFBDVSXWYMX-NWDGAFQWSA-N 2 2 271.405 0.193 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2ncccn2)C1 ZINC000886688732 614867143 /nfs/dbraw/zinc/86/71/43/614867143.db2.gz ZDROKRFHHNSCIG-KBPBESRZSA-N 2 2 278.400 0.969 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2ncccn2)C1 ZINC000886688732 614867144 /nfs/dbraw/zinc/86/71/44/614867144.db2.gz ZDROKRFHHNSCIG-KBPBESRZSA-N 2 2 278.400 0.969 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886688732 614867146 /nfs/dbraw/zinc/86/71/46/614867146.db2.gz ZDROKRFHHNSCIG-KBPBESRZSA-N 2 2 278.400 0.969 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886688732 614867147 /nfs/dbraw/zinc/86/71/47/614867147.db2.gz ZDROKRFHHNSCIG-KBPBESRZSA-N 2 2 278.400 0.969 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](Nc2ncccn2)C1 ZINC000903025019 614867547 /nfs/dbraw/zinc/86/75/47/614867547.db2.gz ZWKOSRASJINLDZ-STQMWFEESA-N 2 2 279.388 0.275 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](Nc2ncccn2)C1 ZINC000903025019 614867548 /nfs/dbraw/zinc/86/75/48/614867548.db2.gz ZWKOSRASJINLDZ-STQMWFEESA-N 2 2 279.388 0.275 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903025019 614867550 /nfs/dbraw/zinc/86/75/50/614867550.db2.gz ZWKOSRASJINLDZ-STQMWFEESA-N 2 2 279.388 0.275 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903025019 614867553 /nfs/dbraw/zinc/86/75/53/614867553.db2.gz ZWKOSRASJINLDZ-STQMWFEESA-N 2 2 279.388 0.275 20 0 CCADLP CC1([NH+]2CCC2)CC[NH+](C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000931701145 614912225 /nfs/dbraw/zinc/91/22/25/614912225.db2.gz WZSFOKKIMRSMDE-ZBFHGGJFSA-N 2 2 298.427 0.449 20 0 CCADLP CC1([NH+]2CCC2)CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000880473301 614912646 /nfs/dbraw/zinc/91/26/46/614912646.db2.gz VCDZYVKONIKGQC-UHFFFAOYSA-N 2 2 275.418 0.225 20 0 CCADLP CC1=CC[NH+](CCNC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000907385265 614970614 /nfs/dbraw/zinc/97/06/14/614970614.db2.gz DYJSFKNLQYPFFP-ZFWWWQNUSA-N 2 2 281.400 0.210 20 0 CCADLP CC1=CC[NH+](CCNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000907385265 614970616 /nfs/dbraw/zinc/97/06/16/614970616.db2.gz DYJSFKNLQYPFFP-ZFWWWQNUSA-N 2 2 281.400 0.210 20 0 CCADLP CC1=CC[N@H+](CCNC(=O)[C@]2(C)C[C@H](O)C[NH+]2C)CC1 ZINC000907385265 614970618 /nfs/dbraw/zinc/97/06/18/614970618.db2.gz DYJSFKNLQYPFFP-ZFWWWQNUSA-N 2 2 281.400 0.210 20 0 CCADLP CC1=CC[N@@H+](CCNC(=O)[C@]2(C)C[C@H](O)C[NH+]2C)CC1 ZINC000907385265 614970619 /nfs/dbraw/zinc/97/06/19/614970619.db2.gz DYJSFKNLQYPFFP-ZFWWWQNUSA-N 2 2 281.400 0.210 20 0 CCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000829508022 614998884 /nfs/dbraw/zinc/99/88/84/614998884.db2.gz BQXZZFBYQDRFRE-CYBMUJFWSA-N 2 2 294.399 0.912 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)NC(=O)Cc1c[nH]c[nH+]1 ZINC000907935753 615000112 /nfs/dbraw/zinc/00/01/12/615000112.db2.gz USZQBAMOQDACPU-NSHDSACASA-N 2 2 268.361 0.161 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000799123624 615004724 /nfs/dbraw/zinc/00/47/24/615004724.db2.gz DESYIBXQYIWHLK-VXGBXAGGSA-N 2 2 267.373 0.455 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000799123624 615004727 /nfs/dbraw/zinc/00/47/27/615004727.db2.gz DESYIBXQYIWHLK-VXGBXAGGSA-N 2 2 267.373 0.455 20 0 CCADLP CC[N@H+](CCNC(=O)/C=C(/C)C[NH+]1CCOCC1)C1CC1 ZINC000900552594 615047415 /nfs/dbraw/zinc/04/74/15/615047415.db2.gz INYDFPPRPBEJFC-OWBHPGMISA-N 2 2 295.427 0.865 20 0 CCADLP CC[N@@H+](CCNC(=O)/C=C(/C)C[NH+]1CCOCC1)C1CC1 ZINC000900552594 615047417 /nfs/dbraw/zinc/04/74/17/615047417.db2.gz INYDFPPRPBEJFC-OWBHPGMISA-N 2 2 295.427 0.865 20 0 CCADLP CCNC(=O)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880264273 615047795 /nfs/dbraw/zinc/04/77/95/615047795.db2.gz RWPQDKLBPLSBJG-LBPRGKRZSA-N 2 2 262.357 0.728 20 0 CCADLP CCNC(=O)C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880264273 615047797 /nfs/dbraw/zinc/04/77/97/615047797.db2.gz RWPQDKLBPLSBJG-LBPRGKRZSA-N 2 2 262.357 0.728 20 0 CCADLP CCNC(=O)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C(C)C ZINC000815131636 615064849 /nfs/dbraw/zinc/06/48/49/615064849.db2.gz IUOOUNQBRPDOFW-STQMWFEESA-N 2 2 271.405 0.193 20 0 CCADLP CC[NH+]1CC(N2CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC000941509393 615086701 /nfs/dbraw/zinc/08/67/01/615086701.db2.gz HJPOLKFFLIKLCJ-UHFFFAOYSA-N 2 2 291.399 0.122 20 0 CCADLP CC[NH+]1CCC(NC(=O)/C=C(/C)C[NH+]2CCOCC2)CC1 ZINC000900009575 615099997 /nfs/dbraw/zinc/09/99/97/615099997.db2.gz KECXUBZCFRGFHB-OWBHPGMISA-N 2 2 295.427 0.865 20 0 CCADLP CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CCO1 ZINC000979280786 615109731 /nfs/dbraw/zinc/10/97/31/615109731.db2.gz QEHZQPYPBUDBGS-RYUDHWBXSA-N 2 2 280.372 0.568 20 0 CCADLP CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC000979356157 615111682 /nfs/dbraw/zinc/11/16/82/615111682.db2.gz YCOARRHYQXJCPC-QWHCGFSZSA-N 2 2 280.372 0.499 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000970767875 615119952 /nfs/dbraw/zinc/11/99/52/615119952.db2.gz PKVYWTAOZNXEOE-KGLIPLIRSA-N 2 2 281.400 0.308 20 0 CCADLP CC[NH2+][C@H](C)C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000877435188 615128283 /nfs/dbraw/zinc/12/82/83/615128283.db2.gz YWQVKHYLXIYYMK-VXGBXAGGSA-N 2 2 257.378 0.211 20 0 CCADLP CC[NH2+][C@H](C)C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000877435188 615128284 /nfs/dbraw/zinc/12/82/84/615128284.db2.gz YWQVKHYLXIYYMK-VXGBXAGGSA-N 2 2 257.378 0.211 20 0 CCADLP CC[NH2+][C@H](C)C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000877435185 615128302 /nfs/dbraw/zinc/12/83/02/615128302.db2.gz YWQVKHYLXIYYMK-NEPJUHHUSA-N 2 2 257.378 0.211 20 0 CCADLP CC[NH2+][C@H](C)C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000877435185 615128304 /nfs/dbraw/zinc/12/83/04/615128304.db2.gz YWQVKHYLXIYYMK-NEPJUHHUSA-N 2 2 257.378 0.211 20 0 CCADLP CC[NH2+][C@H](C)[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC000979441442 615129846 /nfs/dbraw/zinc/12/98/46/615129846.db2.gz FVVXHEVKXLIWRP-YPMHNXCESA-N 2 2 280.372 0.188 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cn(C)c[nH+]1 ZINC000849040243 615131905 /nfs/dbraw/zinc/13/19/05/615131905.db2.gz OFEGUXCLZANFJE-CYBMUJFWSA-N 3 2 278.404 0.561 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1cn(C)c[nH+]1 ZINC000849040243 615131906 /nfs/dbraw/zinc/13/19/06/615131906.db2.gz OFEGUXCLZANFJE-CYBMUJFWSA-N 3 2 278.404 0.561 20 0 CCADLP CC[N@@H+]1CCN(C(=O)/C=C(\C)C[NH+]2CCOCC2)C[C@H]1C ZINC000901197789 615147883 /nfs/dbraw/zinc/14/78/83/615147883.db2.gz DWXHUFWCEKRYMK-ATGUSINASA-N 2 2 295.427 0.818 20 0 CCADLP CC[N@H+]1CCN(C(=O)/C=C(\C)C[NH+]2CCOCC2)C[C@H]1C ZINC000901197789 615147884 /nfs/dbraw/zinc/14/78/84/615147884.db2.gz DWXHUFWCEKRYMK-ATGUSINASA-N 2 2 295.427 0.818 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)OCC[NH+]2CCCCC2)C1 ZINC000805473155 615185381 /nfs/dbraw/zinc/18/53/81/615185381.db2.gz RVGHEVNGDQUCKQ-ZDUSSCGKSA-N 2 2 270.373 0.736 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)OCC[NH+]2CCCCC2)C1 ZINC000805473155 615185383 /nfs/dbraw/zinc/18/53/83/615185383.db2.gz RVGHEVNGDQUCKQ-ZDUSSCGKSA-N 2 2 270.373 0.736 20 0 CCADLP CC[N@@H+]1CC[C@@H](CNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000864961921 615204183 /nfs/dbraw/zinc/20/41/83/615204183.db2.gz GKHQIKVRTGWJNI-XGACYXMMSA-N 2 2 281.400 0.333 20 0 CCADLP CC[N@H+]1CC[C@@H](CNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000864961921 615204185 /nfs/dbraw/zinc/20/41/85/615204185.db2.gz GKHQIKVRTGWJNI-XGACYXMMSA-N 2 2 281.400 0.333 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000943767529 615213979 /nfs/dbraw/zinc/21/39/79/615213979.db2.gz XCCZYCGKUFDFBF-WDEREUQCSA-N 2 2 250.346 0.799 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000943767529 615213981 /nfs/dbraw/zinc/21/39/81/615213981.db2.gz XCCZYCGKUFDFBF-WDEREUQCSA-N 2 2 250.346 0.799 20 0 CCADLP CCOC(=O)N1CC[C@H]([NH2+][C@H]2CCC[NH2+][C@H]2C)C1 ZINC000925639506 615234470 /nfs/dbraw/zinc/23/44/70/615234470.db2.gz CGDXBPSSVWMBGS-SRVKXCTJSA-N 2 2 255.362 0.947 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000947929702 615281374 /nfs/dbraw/zinc/28/13/74/615281374.db2.gz NEYSDQSYYOPDBO-RYUDHWBXSA-N 2 2 264.373 0.952 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000947929702 615281375 /nfs/dbraw/zinc/28/13/75/615281375.db2.gz NEYSDQSYYOPDBO-RYUDHWBXSA-N 2 2 264.373 0.952 20 0 CCADLP CCOC(=O)[C@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000932641659 615378710 /nfs/dbraw/zinc/37/87/10/615378710.db2.gz LXMVCSDFUWNWHV-NSHDSACASA-N 2 2 251.330 0.848 20 0 CCADLP CCOC(=O)[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000932641659 615378713 /nfs/dbraw/zinc/37/87/13/615378713.db2.gz LXMVCSDFUWNWHV-NSHDSACASA-N 2 2 251.330 0.848 20 0 CCADLP CCO[C@@H](C[NH2+]C[C@H](O)c1ccccn1)C[NH+](C)C ZINC000905575588 615410238 /nfs/dbraw/zinc/41/02/38/615410238.db2.gz IPHREJYIVYAVSY-JSGCOSHPSA-N 2 2 267.373 0.671 20 0 CCADLP CCO[C@@H](C[NH2+][C@H]1C[C@@H](OCC)[C@@H]1OC)C[NH+](C)C ZINC000896880045 615410977 /nfs/dbraw/zinc/41/09/77/615410977.db2.gz LZZOOSDZAJPLIH-IGQOVBAYSA-N 2 2 274.405 0.735 20 0 CCADLP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000960633390 615439369 /nfs/dbraw/zinc/43/93/69/615439369.db2.gz ZOMAFIYDIANHBE-ZZVYKPCYSA-N 2 2 274.368 0.512 20 0 CCADLP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000960633390 615439371 /nfs/dbraw/zinc/43/93/71/615439371.db2.gz ZOMAFIYDIANHBE-ZZVYKPCYSA-N 2 2 274.368 0.512 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@H]1CC ZINC000928647545 615479097 /nfs/dbraw/zinc/47/90/97/615479097.db2.gz PWDRPHHYHBGOOE-ZNMIVQPWSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@H]1CC ZINC000928647545 615479098 /nfs/dbraw/zinc/47/90/98/615479098.db2.gz PWDRPHHYHBGOOE-ZNMIVQPWSA-N 2 2 297.443 0.944 20 0 CCADLP CCO[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)C[NH+](C)C ZINC000925836508 615484485 /nfs/dbraw/zinc/48/44/85/615484485.db2.gz BAOTUSLUWURDNB-MGPQQGTHSA-N 3 2 257.422 0.931 20 0 CCADLP CC[C@@H](F)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000961895411 615521211 /nfs/dbraw/zinc/52/12/11/615521211.db2.gz HGKHFMBCUAAHER-WUWHUORYSA-N 2 2 280.347 0.747 20 0 CCADLP CC[C@@H](F)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000961895411 615521212 /nfs/dbraw/zinc/52/12/12/615521212.db2.gz HGKHFMBCUAAHER-WUWHUORYSA-N 2 2 280.347 0.747 20 0 CCADLP CC[C@@H](F)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962294664 615521258 /nfs/dbraw/zinc/52/12/58/615521258.db2.gz RWBXJURWEQDNEG-PBOSXPJTSA-N 2 2 294.374 0.757 20 0 CCADLP CC[C@@H](F)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962294664 615521260 /nfs/dbraw/zinc/52/12/60/615521260.db2.gz RWBXJURWEQDNEG-PBOSXPJTSA-N 2 2 294.374 0.757 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903955733 615540402 /nfs/dbraw/zinc/54/04/02/615540402.db2.gz AUOQOWFMCMAQRE-ZJUUUORDSA-N 2 2 284.372 0.644 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)NCc2ccccn2)CC[C@H]1[NH3+] ZINC000844222841 615563402 /nfs/dbraw/zinc/56/34/02/615563402.db2.gz MGQWSBMYTNOLNE-TZMCWYRMSA-N 2 2 276.384 0.757 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)NCc2ccccn2)CC[C@H]1[NH3+] ZINC000844222841 615563403 /nfs/dbraw/zinc/56/34/03/615563403.db2.gz MGQWSBMYTNOLNE-TZMCWYRMSA-N 2 2 276.384 0.757 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000877435144 615568096 /nfs/dbraw/zinc/56/80/96/615568096.db2.gz XVLANIYMCYBWIM-OLZOCXBDSA-N 2 2 269.389 0.341 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000877435144 615568097 /nfs/dbraw/zinc/56/80/97/615568097.db2.gz XVLANIYMCYBWIM-OLZOCXBDSA-N 2 2 269.389 0.341 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000877433677 615568383 /nfs/dbraw/zinc/56/83/83/615568383.db2.gz HGIYSYFDKXGXMD-IPYPFGDCSA-N 2 2 281.400 0.213 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000877433677 615568384 /nfs/dbraw/zinc/56/83/84/615568384.db2.gz HGIYSYFDKXGXMD-IPYPFGDCSA-N 2 2 281.400 0.213 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@]1(CC)CCC[NH2+]1 ZINC000877433943 615569002 /nfs/dbraw/zinc/56/90/02/615569002.db2.gz KROYXHMTEMWVGX-HIFRSBDPSA-N 2 2 283.416 0.746 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@]1(CC)CCC[NH2+]1 ZINC000877433943 615569003 /nfs/dbraw/zinc/56/90/03/615569003.db2.gz KROYXHMTEMWVGX-HIFRSBDPSA-N 2 2 283.416 0.746 20 0 CCADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000866666714 615600113 /nfs/dbraw/zinc/60/01/13/615600113.db2.gz VKEBCSFFPYZPLU-LSDHHAIUSA-N 2 2 293.411 0.988 20 0 CCADLP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000866666714 615600114 /nfs/dbraw/zinc/60/01/14/615600114.db2.gz VKEBCSFFPYZPLU-LSDHHAIUSA-N 2 2 293.411 0.988 20 0 CCADLP CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1)[NH+](C)C ZINC000969074924 615602656 /nfs/dbraw/zinc/60/26/56/615602656.db2.gz ZUWZDHCSZHWIOM-ZYHUDNBSSA-N 2 2 297.428 0.569 20 0 CCADLP CC[C@H](C)[N@H+](C)CCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865126823 615667817 /nfs/dbraw/zinc/66/78/17/615667817.db2.gz VYMSHFMAXMXZDN-GJBLVYBDSA-N 2 2 283.416 0.721 20 0 CCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865126823 615667818 /nfs/dbraw/zinc/66/78/18/615667818.db2.gz VYMSHFMAXMXZDN-GJBLVYBDSA-N 2 2 283.416 0.721 20 0 CCADLP CCn1nc(C)c([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)n1 ZINC000924988435 615670321 /nfs/dbraw/zinc/67/03/21/615670321.db2.gz AYDKAEFILHVAGK-STQMWFEESA-N 2 2 294.447 0.893 20 0 CCADLP CCn1ncc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)n1 ZINC000838900783 615708025 /nfs/dbraw/zinc/70/80/25/615708025.db2.gz TUYYMIJPVVRKHD-HNNXBMFYSA-N 2 2 294.447 0.660 20 0 CCADLP CC[C@H](C[NH+]1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1)OC ZINC000957473079 615713403 /nfs/dbraw/zinc/71/34/03/615713403.db2.gz YXFRYRXDWAWCRK-CYBMUJFWSA-N 2 2 294.399 0.830 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000925357877 615717373 /nfs/dbraw/zinc/71/73/73/615717373.db2.gz YGQUFOGTMCETJG-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000925357877 615717375 /nfs/dbraw/zinc/71/73/75/615717375.db2.gz YGQUFOGTMCETJG-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925680707 615727412 /nfs/dbraw/zinc/72/74/12/615727412.db2.gz KXHNYBGDTWFYQK-NXEZZACHSA-N 2 2 263.407 0.044 20 0 CCADLP CC[C@H]([NH2+]CCN1CCC([NH3+])CC1)[C@H]1CCCC[NH2+]1 ZINC000925815892 615818090 /nfs/dbraw/zinc/81/80/90/615818090.db2.gz BPUXYPFWWMKMRB-LSDHHAIUSA-N 3 2 268.449 0.920 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H]2CCC(C)(C)CO2)CC1 ZINC000877959232 615863663 /nfs/dbraw/zinc/86/36/63/615863663.db2.gz SRRHUDGFHDDKJU-AWEZNQCLSA-N 2 2 297.443 0.897 20 0 CCADLP C[NH+](C)CC1(O)CC[NH+](Cc2nnc3n2CCCC3)CC1 ZINC000931482541 615872595 /nfs/dbraw/zinc/87/25/95/615872595.db2.gz WOPJEYPGQPHDQI-UHFFFAOYSA-N 2 2 293.415 0.503 20 0 CCADLP C[NH+](C)CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000816934621 615874174 /nfs/dbraw/zinc/87/41/74/615874174.db2.gz ZXFOAVVCNLHZTN-UHFFFAOYSA-N 2 2 250.346 0.752 20 0 CCADLP CN(C)CC[N@H+](C)CCCN(C)C(=O)NC[C@@H]1CC[NH+]1C ZINC000925423349 615892030 /nfs/dbraw/zinc/89/20/30/615892030.db2.gz PHBMVYFMRNKTOJ-AWEZNQCLSA-N 2 2 299.463 0.215 20 0 CCADLP CN(C)CC[N@@H+](C)CCCN(C)C(=O)NC[C@@H]1CC[NH+]1C ZINC000925423349 615892033 /nfs/dbraw/zinc/89/20/33/615892033.db2.gz PHBMVYFMRNKTOJ-AWEZNQCLSA-N 2 2 299.463 0.215 20 0 CCADLP CN(C)CC[NH+](C)CCCN(C)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925423349 615892035 /nfs/dbraw/zinc/89/20/35/615892035.db2.gz PHBMVYFMRNKTOJ-AWEZNQCLSA-N 2 2 299.463 0.215 20 0 CCADLP CN(C)CC[NH+](C)CCCN(C)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000925423349 615892036 /nfs/dbraw/zinc/89/20/36/615892036.db2.gz PHBMVYFMRNKTOJ-AWEZNQCLSA-N 2 2 299.463 0.215 20 0 CCADLP CN(CCCN(C)C(=O)NC[C@@H]1CC[N@@H+]1C)CC[NH+](C)C ZINC000925423349 615892038 /nfs/dbraw/zinc/89/20/38/615892038.db2.gz PHBMVYFMRNKTOJ-AWEZNQCLSA-N 2 2 299.463 0.215 20 0 CCADLP CN(CCCN(C)C(=O)NC[C@@H]1CC[N@H+]1C)CC[NH+](C)C ZINC000925423349 615892041 /nfs/dbraw/zinc/89/20/41/615892041.db2.gz PHBMVYFMRNKTOJ-AWEZNQCLSA-N 2 2 299.463 0.215 20 0 CCADLP CC[C@H]1C[N@H+](C)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000907927430 615908253 /nfs/dbraw/zinc/90/82/53/615908253.db2.gz XQSLAMUMWWKKAD-LBPRGKRZSA-N 2 2 250.346 0.895 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000907927430 615908255 /nfs/dbraw/zinc/90/82/55/615908255.db2.gz XQSLAMUMWWKKAD-LBPRGKRZSA-N 2 2 250.346 0.895 20 0 CCADLP C[NH+](C)CC[C@H]([NH2+]CCC(N)=O)c1cccnc1 ZINC000905556652 615913806 /nfs/dbraw/zinc/91/38/06/615913806.db2.gz JXKKJYLHUKNRMZ-LBPRGKRZSA-N 2 2 250.346 0.539 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000875135443 615924746 /nfs/dbraw/zinc/92/47/46/615924746.db2.gz YEEJQJPWLGSFEJ-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000875135443 615924749 /nfs/dbraw/zinc/92/47/49/615924749.db2.gz YEEJQJPWLGSFEJ-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H]1COCC[NH+]1CCNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000875135443 615924750 /nfs/dbraw/zinc/92/47/50/615924750.db2.gz YEEJQJPWLGSFEJ-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H]1COCC[NH+]1CCNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000875135443 615924753 /nfs/dbraw/zinc/92/47/53/615924753.db2.gz YEEJQJPWLGSFEJ-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](C)C[NH+](C)C ZINC000875582380 615925076 /nfs/dbraw/zinc/92/50/76/615925076.db2.gz OOVVZQDJFDMZPN-STQMWFEESA-N 2 2 286.420 0.347 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H](C)C[NH+](C)C ZINC000875582380 615925080 /nfs/dbraw/zinc/92/50/80/615925080.db2.gz OOVVZQDJFDMZPN-STQMWFEESA-N 2 2 286.420 0.347 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1CC[NH+]1C ZINC000925428368 615925543 /nfs/dbraw/zinc/92/55/43/615925543.db2.gz GLAIPUXDMXSPGB-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1CC[NH+]1C ZINC000925428368 615925545 /nfs/dbraw/zinc/92/55/45/615925545.db2.gz GLAIPUXDMXSPGB-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP CC[C@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925428368 615925547 /nfs/dbraw/zinc/92/55/47/615925547.db2.gz GLAIPUXDMXSPGB-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP CC[C@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CC[N@H+]1C ZINC000925428368 615925550 /nfs/dbraw/zinc/92/55/50/615925550.db2.gz GLAIPUXDMXSPGB-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000877433692 615927001 /nfs/dbraw/zinc/92/70/01/615927001.db2.gz HHRNBBKMHPXSFB-STQMWFEESA-N 2 2 283.416 0.602 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000877433692 615927003 /nfs/dbraw/zinc/92/70/03/615927003.db2.gz HHRNBBKMHPXSFB-STQMWFEESA-N 2 2 283.416 0.602 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@H]2CC3(CC3)C(=O)O2)C1 ZINC000878865544 615952649 /nfs/dbraw/zinc/95/26/49/615952649.db2.gz JTUNSRYFCZIGQO-IUODEOHRSA-N 2 2 282.384 0.471 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@H]2CC3(CC3)C(=O)O2)C1 ZINC000878865544 615952651 /nfs/dbraw/zinc/95/26/51/615952651.db2.gz JTUNSRYFCZIGQO-IUODEOHRSA-N 2 2 282.384 0.471 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCO[C@@H]2CCOC2)C1 ZINC000930902623 615952678 /nfs/dbraw/zinc/95/26/78/615952678.db2.gz DBRJMKGSMUIIMK-ZIAGYGMSSA-N 2 2 272.389 0.180 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCO[C@@H]2CCOC2)C1 ZINC000930902623 615952680 /nfs/dbraw/zinc/95/26/80/615952680.db2.gz DBRJMKGSMUIIMK-ZIAGYGMSSA-N 2 2 272.389 0.180 20 0 CCADLP CC[C@](C)(O)c1cn(CC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000864648004 615963218 /nfs/dbraw/zinc/96/32/18/615963218.db2.gz PJINFHUSURLZCN-AWEZNQCLSA-N 2 2 283.420 0.779 20 0 CCADLP CC[C@](C)(O)c1cn(CC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000864648004 615963219 /nfs/dbraw/zinc/96/32/19/615963219.db2.gz PJINFHUSURLZCN-AWEZNQCLSA-N 2 2 283.420 0.779 20 0 CCADLP CCn1cc(C[NH+]2CCC(O)(C[NH+](C)C)CC2)nn1 ZINC000931478881 615984985 /nfs/dbraw/zinc/98/49/85/615984985.db2.gz GNDOTRJRTPCWBU-UHFFFAOYSA-N 2 2 267.377 0.187 20 0 CCADLP C[NH+](C)[C@@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC000912601667 615986207 /nfs/dbraw/zinc/98/62/07/615986207.db2.gz RBWCYCIVSDHCNF-WDEREUQCSA-N 2 2 262.357 0.941 20 0 CCADLP CN(C)c1cc(N2CCC([NH2+]CCO)CC2)nc[nH+]1 ZINC000893024091 616007002 /nfs/dbraw/zinc/00/70/02/616007002.db2.gz XMHYYMHRFPUZSY-UHFFFAOYSA-N 2 2 265.361 0.093 20 0 CCADLP CN(C)c1cc(N2CCC([NH2+]CCO)CC2)[nH+]cn1 ZINC000893024091 616007005 /nfs/dbraw/zinc/00/70/05/616007005.db2.gz XMHYYMHRFPUZSY-UHFFFAOYSA-N 2 2 265.361 0.093 20 0 CCADLP C[N@H+](CCF)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000972552694 616077476 /nfs/dbraw/zinc/07/74/76/616077476.db2.gz SBXFGXODMBTEFR-CYBMUJFWSA-N 2 2 287.379 0.211 20 0 CCADLP C[N@@H+](CCF)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000972552694 616077477 /nfs/dbraw/zinc/07/74/77/616077477.db2.gz SBXFGXODMBTEFR-CYBMUJFWSA-N 2 2 287.379 0.211 20 0 CCADLP CN(CC[NH+]1CCOCC1)C[C@@H]([NH3+])CC(F)F ZINC000903891102 616089983 /nfs/dbraw/zinc/08/99/83/616089983.db2.gz JRQNBLWJTUZHKI-JTQLQIEISA-N 2 2 251.321 0.233 20 0 CCADLP C[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@@H]1CCOC1 ZINC000903891715 616098338 /nfs/dbraw/zinc/09/83/38/616098338.db2.gz NWOOEHQPDGOGDC-VXGBXAGGSA-N 2 2 265.361 0.423 20 0 CCADLP C[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@@H]1CCOC1 ZINC000903891715 616098340 /nfs/dbraw/zinc/09/83/40/616098340.db2.gz NWOOEHQPDGOGDC-VXGBXAGGSA-N 2 2 265.361 0.423 20 0 CCADLP C[N@@H+](Cc1ncc[nH]1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903777760 616105782 /nfs/dbraw/zinc/10/57/82/616105782.db2.gz DNFHZUSFYPCUSU-WCQYABFASA-N 2 2 250.346 0.610 20 0 CCADLP C[N@H+](Cc1ncc[nH]1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903777760 616105783 /nfs/dbraw/zinc/10/57/83/616105783.db2.gz DNFHZUSFYPCUSU-WCQYABFASA-N 2 2 250.346 0.610 20 0 CCADLP C[N@H+](CCO)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000971928795 616111921 /nfs/dbraw/zinc/11/19/21/616111921.db2.gz QYVWQRMHNWCIQH-GFCCVEGCSA-N 2 2 288.351 0.473 20 0 CCADLP C[N@@H+](CCO)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000971928795 616111923 /nfs/dbraw/zinc/11/19/23/616111923.db2.gz QYVWQRMHNWCIQH-GFCCVEGCSA-N 2 2 288.351 0.473 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]CC[S@](=O)C(C)(C)C)C1CC1 ZINC000819055970 616131667 /nfs/dbraw/zinc/13/16/67/616131667.db2.gz IMURDFVWQGRVCP-SGTLLEGYSA-N 2 2 276.446 0.578 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]CC[S@](=O)C(C)(C)C)C1CC1 ZINC000819055970 616131668 /nfs/dbraw/zinc/13/16/68/616131668.db2.gz IMURDFVWQGRVCP-SGTLLEGYSA-N 2 2 276.446 0.578 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]C[C@@H](O)c1ccc(F)cc1)C1CC1 ZINC000843108314 616149660 /nfs/dbraw/zinc/14/96/60/616149660.db2.gz OASCQGNZVHFJLL-HUUCEWRRSA-N 2 2 282.359 0.904 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H](O)c1ccc(F)cc1)C1CC1 ZINC000843108314 616149662 /nfs/dbraw/zinc/14/96/62/616149662.db2.gz OASCQGNZVHFJLL-HUUCEWRRSA-N 2 2 282.359 0.904 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1CN(C2CC2)C(=O)O1)C1CC1 ZINC000848679071 616150059 /nfs/dbraw/zinc/15/00/59/616150059.db2.gz QVRCGAJUQXRPRK-OLZOCXBDSA-N 2 2 283.372 0.014 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1CN(C2CC2)C(=O)O1)C1CC1 ZINC000848679071 616150061 /nfs/dbraw/zinc/15/00/61/616150061.db2.gz QVRCGAJUQXRPRK-OLZOCXBDSA-N 2 2 283.372 0.014 20 0 CCADLP C[NH+]1CCC(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000909028543 616166878 /nfs/dbraw/zinc/16/68/78/616166878.db2.gz UOXLAIJONZAQSV-OKILXGFUSA-N 2 2 281.400 0.308 20 0 CCADLP C[NH+]1CCC(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000909028543 616166880 /nfs/dbraw/zinc/16/68/80/616166880.db2.gz UOXLAIJONZAQSV-OKILXGFUSA-N 2 2 281.400 0.308 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)COC3CC3)CC2)CC1 ZINC000878552397 616172073 /nfs/dbraw/zinc/17/20/73/616172073.db2.gz CWHGWXGCDFNMDN-UHFFFAOYSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC(NC(=O)C[NH+]2CCSCC2)CC1 ZINC000877967971 616173206 /nfs/dbraw/zinc/17/32/06/616173206.db2.gz RMPKUMMIJMSOSL-UHFFFAOYSA-N 2 2 257.403 0.246 20 0 CCADLP C[NH+]1CCC([C@@H]2CCN(C(=O)[C@@H](O)c3c[nH+]c[nH]3)C2)CC1 ZINC000866976571 616176315 /nfs/dbraw/zinc/17/63/15/616176315.db2.gz FEIUBGZWBLIWMZ-OCCSQVGLSA-N 2 2 292.383 0.633 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000931622371 616199287 /nfs/dbraw/zinc/19/92/87/616199287.db2.gz OVBZGVICOJEQOB-LXFSFDBISA-N 2 2 266.385 0.959 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000931622371 616199288 /nfs/dbraw/zinc/19/92/88/616199288.db2.gz OVBZGVICOJEQOB-LXFSFDBISA-N 2 2 266.385 0.959 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000931622371 616199289 /nfs/dbraw/zinc/19/92/89/616199289.db2.gz OVBZGVICOJEQOB-LXFSFDBISA-N 2 2 266.385 0.959 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000931622371 616199290 /nfs/dbraw/zinc/19/92/90/616199290.db2.gz OVBZGVICOJEQOB-LXFSFDBISA-N 2 2 266.385 0.959 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCC(=O)N1CCOCC1 ZINC000880132099 616200567 /nfs/dbraw/zinc/20/05/67/616200567.db2.gz NFSKEJSFPOLZDT-ZIAGYGMSSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCC(=O)N1CCOCC1 ZINC000880132099 616200568 /nfs/dbraw/zinc/20/05/68/616200568.db2.gz NFSKEJSFPOLZDT-ZIAGYGMSSA-N 2 2 281.400 0.404 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC(=O)N1CCOCC1 ZINC000880132099 616200569 /nfs/dbraw/zinc/20/05/69/616200569.db2.gz NFSKEJSFPOLZDT-ZIAGYGMSSA-N 2 2 281.400 0.404 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCC(=O)N1CCOCC1 ZINC000880132099 616200570 /nfs/dbraw/zinc/20/05/70/616200570.db2.gz NFSKEJSFPOLZDT-ZIAGYGMSSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@@H]1CCc2ncnn21 ZINC000880142900 616200627 /nfs/dbraw/zinc/20/06/27/616200627.db2.gz VTZCBNCDLZCAIU-YNEHKIRRSA-N 2 2 261.373 0.934 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@@H]1CCc2ncnn21 ZINC000880142900 616200628 /nfs/dbraw/zinc/20/06/28/616200628.db2.gz VTZCBNCDLZCAIU-YNEHKIRRSA-N 2 2 261.373 0.934 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H]1CCc2ncnn21 ZINC000880142900 616200629 /nfs/dbraw/zinc/20/06/29/616200629.db2.gz VTZCBNCDLZCAIU-YNEHKIRRSA-N 2 2 261.373 0.934 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@@H]1CCc2ncnn21 ZINC000880142900 616200630 /nfs/dbraw/zinc/20/06/30/616200630.db2.gz VTZCBNCDLZCAIU-YNEHKIRRSA-N 2 2 261.373 0.934 20 0 CCADLP C[N@@H+]1CCC[C@@](O)(CC(=O)NCCCn2cc[nH+]c2)C1 ZINC000899920837 616201942 /nfs/dbraw/zinc/20/19/42/616201942.db2.gz LZOPOXOHCSBYHR-CQSZACIVSA-N 2 2 280.372 0.236 20 0 CCADLP C[N@H+]1CCC[C@@](O)(CC(=O)NCCCn2cc[nH+]c2)C1 ZINC000899920837 616201943 /nfs/dbraw/zinc/20/19/43/616201943.db2.gz LZOPOXOHCSBYHR-CQSZACIVSA-N 2 2 280.372 0.236 20 0 CCADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000221146544 616214572 /nfs/dbraw/zinc/21/45/72/616214572.db2.gz SHIDLBDFEOULSI-ZDUSSCGKSA-N 2 2 277.368 0.735 20 0 CCADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000221146544 616214573 /nfs/dbraw/zinc/21/45/73/616214573.db2.gz SHIDLBDFEOULSI-ZDUSSCGKSA-N 2 2 277.368 0.735 20 0 CCADLP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCCc3cn[nH]c32)CC1 ZINC000857853711 616222474 /nfs/dbraw/zinc/22/24/74/616222474.db2.gz VGKDVLFTFMGZTI-CYBMUJFWSA-N 2 2 291.399 0.541 20 0 CCADLP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCCc3c[nH]nc32)CC1 ZINC000857853711 616222475 /nfs/dbraw/zinc/22/24/75/616222475.db2.gz VGKDVLFTFMGZTI-CYBMUJFWSA-N 2 2 291.399 0.541 20 0 CCADLP C[NH+]1CCN(C2CC[NH+](C[C@@H](O)C(F)(F)F)CC2)CC1 ZINC000879596853 616239279 /nfs/dbraw/zinc/23/92/79/616239279.db2.gz SNKZNNZJALHRFB-GFCCVEGCSA-N 2 2 295.349 0.621 20 0 CCADLP CN1CCOC[C@]1(CO)C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926891694 616250655 /nfs/dbraw/zinc/25/06/55/616250655.db2.gz IZQWNHLOUALKKI-BZUAXINKSA-N 2 2 297.443 0.286 20 0 CCADLP CN1CCOC[C@]1(CO)C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926891694 616250656 /nfs/dbraw/zinc/25/06/56/616250656.db2.gz IZQWNHLOUALKKI-BZUAXINKSA-N 2 2 297.443 0.286 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000854726627 616264520 /nfs/dbraw/zinc/26/45/20/616264520.db2.gz QKAMVLBMYZEGGU-ZIAGYGMSSA-N 2 2 281.400 0.261 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000854726627 616264521 /nfs/dbraw/zinc/26/45/21/616264521.db2.gz QKAMVLBMYZEGGU-ZIAGYGMSSA-N 2 2 281.400 0.261 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3nncs3)C2)C1 ZINC000970712006 616265236 /nfs/dbraw/zinc/26/52/36/616265236.db2.gz JMNHAHFIYYFQRA-GHMZBOCLSA-N 2 2 295.412 0.180 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3nncs3)C2)C1 ZINC000970712006 616265237 /nfs/dbraw/zinc/26/52/37/616265237.db2.gz JMNHAHFIYYFQRA-GHMZBOCLSA-N 2 2 295.412 0.180 20 0 CCADLP C[N@@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000925408157 616291592 /nfs/dbraw/zinc/29/15/92/616291592.db2.gz PEVFGGBMLGWNFU-GFCCVEGCSA-N 2 2 252.362 0.180 20 0 CCADLP C[N@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000925408157 616291597 /nfs/dbraw/zinc/29/15/97/616291597.db2.gz PEVFGGBMLGWNFU-GFCCVEGCSA-N 2 2 252.362 0.180 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC000812325370 616313768 /nfs/dbraw/zinc/31/37/68/616313768.db2.gz PVQJEIMQIIIOKM-OLZOCXBDSA-N 2 2 276.384 0.763 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC000812325370 616313775 /nfs/dbraw/zinc/31/37/75/616313775.db2.gz PVQJEIMQIIIOKM-OLZOCXBDSA-N 2 2 276.384 0.763 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(CC[NH+]3CCOCC3)CC[C@@H]21 ZINC000879572681 616333550 /nfs/dbraw/zinc/33/35/50/616333550.db2.gz IYRJBGVTZMVXDI-KGLIPLIRSA-N 2 2 253.390 0.345 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(CC[NH+]3CCOCC3)CC[C@@H]21 ZINC000879572681 616333554 /nfs/dbraw/zinc/33/35/54/616333554.db2.gz IYRJBGVTZMVXDI-KGLIPLIRSA-N 2 2 253.390 0.345 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccon4)C[C@H]32)C1 ZINC000962550644 616380091 /nfs/dbraw/zinc/38/00/91/616380091.db2.gz FVPJNVMTYNRSOP-SCUASFONSA-N 2 2 290.367 0.173 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccon4)C[C@H]32)C1 ZINC000962550644 616380094 /nfs/dbraw/zinc/38/00/94/616380094.db2.gz FVPJNVMTYNRSOP-SCUASFONSA-N 2 2 290.367 0.173 20 0 CCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccon4)C[C@H]32)C1 ZINC000962550644 616380098 /nfs/dbraw/zinc/38/00/98/616380098.db2.gz FVPJNVMTYNRSOP-SCUASFONSA-N 2 2 290.367 0.173 20 0 CCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccon4)C[C@H]32)C1 ZINC000962550644 616380102 /nfs/dbraw/zinc/38/01/02/616380102.db2.gz FVPJNVMTYNRSOP-SCUASFONSA-N 2 2 290.367 0.173 20 0 CCADLP COC/C=C\C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000865800422 616402484 /nfs/dbraw/zinc/40/24/84/616402484.db2.gz YWFJIGUVKKAZHD-WAYWQWQTSA-N 2 2 283.416 0.673 20 0 CCADLP COC/C=C\C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000865800422 616402487 /nfs/dbraw/zinc/40/24/87/616402487.db2.gz YWFJIGUVKKAZHD-WAYWQWQTSA-N 2 2 283.416 0.673 20 0 CCADLP COCC[N@@H+]1CC[C@H](N[C@H]2CC[NH+](CC(C)(C)O)C2)C1 ZINC000865659100 616427464 /nfs/dbraw/zinc/42/74/64/616427464.db2.gz GYLCTBLABRHQRD-KBPBESRZSA-N 2 2 285.432 0.142 20 0 CCADLP COCC[N@H+]1CC[C@H](N[C@H]2CC[NH+](CC(C)(C)O)C2)C1 ZINC000865659100 616427468 /nfs/dbraw/zinc/42/74/68/616427468.db2.gz GYLCTBLABRHQRD-KBPBESRZSA-N 2 2 285.432 0.142 20 0 CCADLP COCC[NH+]1CC[C@H](N[C@H]2CC[N@H+](CC(C)(C)O)C2)C1 ZINC000865659100 616427470 /nfs/dbraw/zinc/42/74/70/616427470.db2.gz GYLCTBLABRHQRD-KBPBESRZSA-N 2 2 285.432 0.142 20 0 CCADLP COCC[NH+]1CC[C@H](N[C@H]2CC[N@@H+](CC(C)(C)O)C2)C1 ZINC000865659100 616427473 /nfs/dbraw/zinc/42/74/73/616427473.db2.gz GYLCTBLABRHQRD-KBPBESRZSA-N 2 2 285.432 0.142 20 0 CCADLP COC1(OC)CC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000924752300 616483546 /nfs/dbraw/zinc/48/35/46/616483546.db2.gz AHTIBKLZMQPWEI-RYUDHWBXSA-N 2 2 258.362 0.184 20 0 CCADLP COC1(OC)CC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000924757746 616485282 /nfs/dbraw/zinc/48/52/82/616485282.db2.gz QQYJZGNSWCPGNW-QWHCGFSZSA-N 2 2 272.389 0.574 20 0 CCADLP COC(=O)[C@@H]1[C@@H](C[NH2+][C@@H](C)C[NH+](C)C)C1(F)F ZINC000894760358 616505921 /nfs/dbraw/zinc/50/59/21/616505921.db2.gz JEQHRYFGMCOYEQ-YIZRAAEISA-N 2 2 250.289 0.580 20 0 CCADLP C[NH+]1C[C@]2(C)C[NH+](C[C@@H](O)C3(O)CCOCC3)C[C@@]2(C)C1 ZINC000931316699 616514001 /nfs/dbraw/zinc/51/40/01/616514001.db2.gz JPOATTUWNWAFRL-RBSFLKMASA-N 2 2 298.427 0.162 20 0 CCADLP COC(=O)[C@H]1[C@@H]2C[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C[C@@H]21 ZINC000852074724 616526632 /nfs/dbraw/zinc/52/66/32/616526632.db2.gz FHAPIXXXWNPFJC-WUHRBBMRSA-N 2 2 270.373 0.038 20 0 CCADLP COC(=O)[C@H]1[C@@H]2C[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C[C@@H]21 ZINC000852074724 616526635 /nfs/dbraw/zinc/52/66/35/616526635.db2.gz FHAPIXXXWNPFJC-WUHRBBMRSA-N 2 2 270.373 0.038 20 0 CCADLP COC(=O)[C@H]1[C@@H]2C[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C[C@@H]21 ZINC000852074724 616526638 /nfs/dbraw/zinc/52/66/38/616526638.db2.gz FHAPIXXXWNPFJC-WUHRBBMRSA-N 2 2 270.373 0.038 20 0 CCADLP COC(=O)[C@H]1[C@@H]2C[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C[C@@H]21 ZINC000852074724 616526639 /nfs/dbraw/zinc/52/66/39/616526639.db2.gz FHAPIXXXWNPFJC-WUHRBBMRSA-N 2 2 270.373 0.038 20 0 CCADLP COC(=O)[C@@]1(C)CC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903898172 616543028 /nfs/dbraw/zinc/54/30/28/616543028.db2.gz LINNCHPXCYYGGK-KCJUWKMLSA-N 2 2 250.289 0.854 20 0 CCADLP COC(=O)[C@@]1(C)CC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903898172 616543030 /nfs/dbraw/zinc/54/30/30/616543030.db2.gz LINNCHPXCYYGGK-KCJUWKMLSA-N 2 2 250.289 0.854 20 0 CCADLP COC(=O)CC[N@H+](CCn1cc[nH+]c1)C1CCOCC1 ZINC000131546915 616550929 /nfs/dbraw/zinc/55/09/29/616550929.db2.gz IONAVKLXQLWVCW-UHFFFAOYSA-N 2 2 281.356 0.927 20 0 CCADLP COC(=O)CC[N@@H+](CCn1cc[nH+]c1)C1CCOCC1 ZINC000131546915 616550935 /nfs/dbraw/zinc/55/09/35/616550935.db2.gz IONAVKLXQLWVCW-UHFFFAOYSA-N 2 2 281.356 0.927 20 0 CCADLP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880133841 616584435 /nfs/dbraw/zinc/58/44/35/616584435.db2.gz QRUDUECDEFWODN-STQMWFEESA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880133841 616584437 /nfs/dbraw/zinc/58/44/37/616584437.db2.gz QRUDUECDEFWODN-STQMWFEESA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)CN(C)C(=O)CC[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880133841 616584438 /nfs/dbraw/zinc/58/44/38/616584438.db2.gz QRUDUECDEFWODN-STQMWFEESA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)CN(C)C(=O)CC[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880133841 616584440 /nfs/dbraw/zinc/58/44/40/616584440.db2.gz QRUDUECDEFWODN-STQMWFEESA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)[C@H]1C[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903752287 616689925 /nfs/dbraw/zinc/68/99/25/616689925.db2.gz MFSPEDKQIBWKMJ-QWHCGFSZSA-N 2 2 298.383 0.019 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903752287 616689928 /nfs/dbraw/zinc/68/99/28/616689928.db2.gz MFSPEDKQIBWKMJ-QWHCGFSZSA-N 2 2 298.383 0.019 20 0 CCADLP COC(=O)[C@]1(O)CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000880566540 616783060 /nfs/dbraw/zinc/78/30/60/616783060.db2.gz MUXXEKDDBZJNMS-AWEZNQCLSA-N 2 2 270.373 0.472 20 0 CCADLP COC(=O)[C@]1(O)CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000880566540 616783063 /nfs/dbraw/zinc/78/30/63/616783063.db2.gz MUXXEKDDBZJNMS-AWEZNQCLSA-N 2 2 270.373 0.472 20 0 CCADLP COC(=O)[C@]12C[C@H]1CCC[N@@H+]2C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000923551104 616806403 /nfs/dbraw/zinc/80/64/03/616806403.db2.gz JKOYTBAQJIDKIM-XUJVJEKNSA-N 2 2 280.368 0.535 20 0 CCADLP COC(=O)[C@]12C[C@H]1CCC[N@H+]2C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000923551104 616806406 /nfs/dbraw/zinc/80/64/06/616806406.db2.gz JKOYTBAQJIDKIM-XUJVJEKNSA-N 2 2 280.368 0.535 20 0 CCADLP COCCC[N@H+](C)CC[NH2+][C@@H]1CC[C@H](C(=O)OC)C1 ZINC000886532911 616877744 /nfs/dbraw/zinc/87/77/44/616877744.db2.gz QVOFITLIOKPBCD-QWHCGFSZSA-N 2 2 272.389 0.886 20 0 CCADLP COCCC[N@@H+](C)CC[NH2+][C@@H]1CC[C@H](C(=O)OC)C1 ZINC000886532911 616877746 /nfs/dbraw/zinc/87/77/46/616877746.db2.gz QVOFITLIOKPBCD-QWHCGFSZSA-N 2 2 272.389 0.886 20 0 CCADLP C[NH2+]CCC[NH2+]Cc1ccc(N2CC[NH2+]CC2)o1 ZINC000904353658 616948230 /nfs/dbraw/zinc/94/82/30/616948230.db2.gz QMMPFDDBNLDORE-UHFFFAOYSA-N 3 2 252.362 0.388 20 0 CCADLP COCC[N@H+](C)CCCNc1cc(N(C)C)nc[nH+]1 ZINC000891805614 616955868 /nfs/dbraw/zinc/95/58/68/616955868.db2.gz NPKXFGGACCHPBM-UHFFFAOYSA-N 2 2 267.377 0.923 20 0 CCADLP COCC[N@@H+](C)CCCNc1cc(N(C)C)nc[nH+]1 ZINC000891805614 616955873 /nfs/dbraw/zinc/95/58/73/616955873.db2.gz NPKXFGGACCHPBM-UHFFFAOYSA-N 2 2 267.377 0.923 20 0 CCADLP COCC[N@H+](C)CCCNc1cc(N(C)C)[nH+]cn1 ZINC000891805614 616955877 /nfs/dbraw/zinc/95/58/77/616955877.db2.gz NPKXFGGACCHPBM-UHFFFAOYSA-N 2 2 267.377 0.923 20 0 CCADLP COCC[N@@H+](C)CCCNc1cc(N(C)C)[nH+]cn1 ZINC000891805614 616955881 /nfs/dbraw/zinc/95/58/81/616955881.db2.gz NPKXFGGACCHPBM-UHFFFAOYSA-N 2 2 267.377 0.923 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000850864641 616975345 /nfs/dbraw/zinc/97/53/45/616975345.db2.gz QTCSFRROJZKIGV-SNVBAGLBSA-N 2 2 293.371 0.119 20 0 CCADLP C[NH2+]C[C@@H]1CCCC[N@@H+]1C[C@H](O)COC[C@@H]1CCCO1 ZINC000923430500 616979821 /nfs/dbraw/zinc/97/98/21/616979821.db2.gz MRARZJRUUFDIDJ-KKUMJFAQSA-N 2 2 286.416 0.617 20 0 CCADLP C[NH2+]C[C@@H]1CCCC[N@H+]1C[C@H](O)COC[C@@H]1CCCO1 ZINC000923430500 616979826 /nfs/dbraw/zinc/97/98/26/616979826.db2.gz MRARZJRUUFDIDJ-KKUMJFAQSA-N 2 2 286.416 0.617 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000883447421 616987777 /nfs/dbraw/zinc/98/77/77/616987777.db2.gz BKCKNQJODNDHTP-UKRRQHHQSA-N 3 2 278.400 0.563 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000883447421 616987783 /nfs/dbraw/zinc/98/77/83/616987783.db2.gz BKCKNQJODNDHTP-UKRRQHHQSA-N 3 2 278.400 0.563 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000883447420 617001629 /nfs/dbraw/zinc/00/16/29/617001629.db2.gz BKCKNQJODNDHTP-HIFRSBDPSA-N 3 2 278.400 0.563 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000883447420 617001636 /nfs/dbraw/zinc/00/16/36/617001636.db2.gz BKCKNQJODNDHTP-HIFRSBDPSA-N 3 2 278.400 0.563 20 0 CCADLP CON(C)C(=O)CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000799139717 617005867 /nfs/dbraw/zinc/00/58/67/617005867.db2.gz KSZLBIFEFMBOLD-LLVKDONJSA-N 2 2 266.345 0.999 20 0 CCADLP CON(C)C(=O)CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000799139717 617005873 /nfs/dbraw/zinc/00/58/73/617005873.db2.gz KSZLBIFEFMBOLD-LLVKDONJSA-N 2 2 266.345 0.999 20 0 CCADLP C[NH2+][C@@H](CC(C)C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000884206302 617045775 /nfs/dbraw/zinc/04/57/75/617045775.db2.gz RGRVEQNZNSJHLN-OLZOCXBDSA-N 2 2 271.405 0.457 20 0 CCADLP C[NH2+][C@@H](CC(C)C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000884206302 617045778 /nfs/dbraw/zinc/04/57/78/617045778.db2.gz RGRVEQNZNSJHLN-OLZOCXBDSA-N 2 2 271.405 0.457 20 0 CCADLP C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000911737018 617052576 /nfs/dbraw/zinc/05/25/76/617052576.db2.gz QEGGNNATUWSWLE-QJPTWQEYSA-N 2 2 262.357 0.734 20 0 CCADLP CO[C@@H]1CC[C@@H]1[N@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CC[C@@H]1OC ZINC000934115414 617104033 /nfs/dbraw/zinc/10/40/33/617104033.db2.gz GZNJOYUYQIEBOS-YYFQZIEXSA-N 2 2 286.416 0.566 20 0 CCADLP CO[C@@H]1CC[C@@H]1[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CC[C@@H]1OC ZINC000934115414 617104034 /nfs/dbraw/zinc/10/40/34/617104034.db2.gz GZNJOYUYQIEBOS-YYFQZIEXSA-N 2 2 286.416 0.566 20 0 CCADLP CO[C@@H]1CC[C@@H]1[NH+](C)C[C@@H](O)C[N@H+](C)[C@H]1CC[C@@H]1OC ZINC000934115414 617104035 /nfs/dbraw/zinc/10/40/35/617104035.db2.gz GZNJOYUYQIEBOS-YYFQZIEXSA-N 2 2 286.416 0.566 20 0 CCADLP CO[C@@H]1CC[C@@H]1[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H]1CC[C@@H]1OC ZINC000934115414 617104036 /nfs/dbraw/zinc/10/40/36/617104036.db2.gz GZNJOYUYQIEBOS-YYFQZIEXSA-N 2 2 286.416 0.566 20 0 CCADLP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CNCCOC1 ZINC000925523902 625361069 /nfs/dbraw/zinc/36/10/69/625361069.db2.gz WGIIOHQWFPPZLB-ZDUSSCGKSA-N 2 2 252.362 0.550 20 0 CCADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000925691995 625590333 /nfs/dbraw/zinc/59/03/33/625590333.db2.gz NZCPBKQCDAODOK-NEPJUHHUSA-N 2 2 274.430 0.931 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+]CC2CCC2)C1 ZINC001022775209 622744205 /nfs/dbraw/zinc/74/42/05/622744205.db2.gz MEUDGTXADZPWNF-TXEJJXNPSA-N 2 2 262.357 0.989 20 0 CCADLP Cc1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)o1 ZINC001022775657 622744298 /nfs/dbraw/zinc/74/42/98/622744298.db2.gz CAMRUPLGFXCZDZ-PHIMTYICSA-N 2 2 289.339 0.686 20 0 CCADLP CN1CC[NH+](Cc2cccc(NC(=O)C3([NH3+])CC3)c2)CC1 ZINC000262128877 622745530 /nfs/dbraw/zinc/74/55/30/622745530.db2.gz LWXVTIXAWKGFTK-UHFFFAOYSA-N 2 2 288.395 0.864 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC001022889043 622834729 /nfs/dbraw/zinc/83/47/29/622834729.db2.gz WYZRAWVAADFMJB-UPJWGTAASA-N 2 2 292.383 0.616 20 0 CCADLP Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC001022889665 622836276 /nfs/dbraw/zinc/83/62/76/622836276.db2.gz UUVQYRDKKHQGLC-TXEJJXNPSA-N 2 2 288.355 0.123 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC001023161218 622931293 /nfs/dbraw/zinc/93/12/93/622931293.db2.gz SEIWEUKTACDZOR-HZSPNIEDSA-N 2 2 292.383 0.689 20 0 CCADLP Cn1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001023158773 622931337 /nfs/dbraw/zinc/93/13/37/622931337.db2.gz GRHZFYNBJHLVEQ-BETUJISGSA-N 2 2 288.355 0.054 20 0 CCADLP C[C@@H]([NH2+]CC1([NH3+])CC1)c1cccc(S(N)(=O)=O)c1 ZINC000902414735 634385878 /nfs/dbraw/zinc/38/58/78/634385878.db2.gz ZXBPVCITDQGFFX-SECBINFHSA-N 2 2 269.370 0.476 20 0 CCADLP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)[C@H]1CCS(=O)(=O)C1 ZINC000892762461 623829688 /nfs/dbraw/zinc/82/96/88/623829688.db2.gz AECWQKSGHHTDLW-UTUOFQBUSA-N 2 2 262.419 0.739 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccon2)C1 ZINC001020396879 624465025 /nfs/dbraw/zinc/46/50/25/624465025.db2.gz HFZDKURUZMIDMI-JOCQHMNTSA-N 2 2 289.339 0.617 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCCCO2)C1 ZINC001020637694 624556834 /nfs/dbraw/zinc/55/68/34/624556834.db2.gz ZTNPCIXMGXNNKY-OBJOEFQTSA-N 2 2 292.383 0.758 20 0 CCADLP COc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000050248556 624804193 /nfs/dbraw/zinc/80/41/93/624804193.db2.gz XOTLTJZKYFNYDK-LBPRGKRZSA-N 2 2 277.368 0.592 20 0 CCADLP COc1ccccc1CNC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000050248556 624804194 /nfs/dbraw/zinc/80/41/94/624804194.db2.gz XOTLTJZKYFNYDK-LBPRGKRZSA-N 2 2 277.368 0.592 20 0 CCADLP O[C@H](C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)CC(F)(F)F ZINC000307949521 624820819 /nfs/dbraw/zinc/82/08/19/624820819.db2.gz QQOYRTONFLCZNT-GUBZILKMSA-N 2 2 252.280 0.984 20 0 CCADLP O[C@H](C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)CC(F)(F)F ZINC000307949521 624820822 /nfs/dbraw/zinc/82/08/22/624820822.db2.gz QQOYRTONFLCZNT-GUBZILKMSA-N 2 2 252.280 0.984 20 0 CCADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000891682531 624902957 /nfs/dbraw/zinc/90/29/57/624902957.db2.gz WXKIBBCQBCDCHS-CMPLNLGQSA-N 2 2 273.340 0.965 20 0 CCADLP O=C(N[C@H]1C[C@@H]([NH2+]CCF)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001022303089 624917597 /nfs/dbraw/zinc/91/75/97/624917597.db2.gz ULSSGQPGYOVLFZ-UTUOFQBUSA-N 2 2 280.347 0.652 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000891980173 625015964 /nfs/dbraw/zinc/01/59/64/625015964.db2.gz SMRNZPAJJZXVSU-JTQLQIEISA-N 2 2 251.334 0.219 20 0 CCADLP COC[C@H](C)[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001009208182 625780400 /nfs/dbraw/zinc/78/04/00/625780400.db2.gz MNZPCJDYVVUGCH-STQMWFEESA-N 2 2 294.399 0.578 20 0 CCADLP COC[C@H](C)[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001009208182 625780413 /nfs/dbraw/zinc/78/04/13/625780413.db2.gz MNZPCJDYVVUGCH-STQMWFEESA-N 2 2 294.399 0.578 20 0 CCADLP C[C@@H]1CCN(c2cc(N3CCOCC3)[nH+]cn2)[C@@H](C[NH3+])C1 ZINC000957128443 625885863 /nfs/dbraw/zinc/88/58/63/625885863.db2.gz ONCLQUACXPMWSH-CHWSQXEVSA-N 2 2 291.399 0.877 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)CC1(C)C ZINC000977539806 625946835 /nfs/dbraw/zinc/94/68/35/625946835.db2.gz YHFFXDUIZJWDCT-GXFFZTMASA-N 2 2 294.399 0.468 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](C[C@H](C)O)CC1(C)C ZINC000977539806 625946837 /nfs/dbraw/zinc/94/68/37/625946837.db2.gz YHFFXDUIZJWDCT-GXFFZTMASA-N 2 2 294.399 0.468 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903154786 634536882 /nfs/dbraw/zinc/53/68/82/634536882.db2.gz WRUPTCVZUOONRH-WDVRLDOZSA-N 3 2 279.428 0.800 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903154786 634536887 /nfs/dbraw/zinc/53/68/87/634536887.db2.gz WRUPTCVZUOONRH-WDVRLDOZSA-N 3 2 279.428 0.800 20 0 CCADLP C[NH+]1CC[C@](O)(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903154786 634536891 /nfs/dbraw/zinc/53/68/91/634536891.db2.gz WRUPTCVZUOONRH-WDVRLDOZSA-N 3 2 279.428 0.800 20 0 CCADLP C[NH+]1CC[C@](O)(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903154786 634536903 /nfs/dbraw/zinc/53/69/03/634536903.db2.gz WRUPTCVZUOONRH-WDVRLDOZSA-N 3 2 279.428 0.800 20 0 CCADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1CCO[C@]13CCOC3)C2 ZINC000903173251 634538591 /nfs/dbraw/zinc/53/85/91/634538591.db2.gz XSWUIXSCCHWLCT-SWHYSGLUSA-N 2 2 263.341 0.805 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC[C@@H]1CC(=O)N(C)C1 ZINC000903219234 634545844 /nfs/dbraw/zinc/54/58/44/634545844.db2.gz PLLQBHAAPZNQEG-YRGRVCCFSA-N 2 2 265.401 0.927 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC[C@@H]1CC(=O)N(C)C1 ZINC000903219234 634545851 /nfs/dbraw/zinc/54/58/51/634545851.db2.gz PLLQBHAAPZNQEG-YRGRVCCFSA-N 2 2 265.401 0.927 20 0 CCADLP C[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000903392926 634556041 /nfs/dbraw/zinc/55/60/41/634556041.db2.gz BQKARGQXFOZUDA-BNOWGMLFSA-N 2 2 254.374 0.864 20 0 CCADLP CC[C@@H]1C[N@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)CC[C@@H]1[NH3+] ZINC000903874418 634675591 /nfs/dbraw/zinc/67/55/91/634675591.db2.gz ZZNCBUSXBLACCB-FMKPAKJESA-N 3 2 293.459 0.905 20 0 CCADLP CC[C@@H]1C[N@@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)CC[C@@H]1[NH3+] ZINC000903874418 634675598 /nfs/dbraw/zinc/67/55/98/634675598.db2.gz ZZNCBUSXBLACCB-FMKPAKJESA-N 3 2 293.459 0.905 20 0 CCADLP [NH3+]C1(C[NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCC1 ZINC000903918500 634685120 /nfs/dbraw/zinc/68/51/20/634685120.db2.gz APASZULPXRFHKG-LLVKDONJSA-N 3 2 264.377 0.174 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cnn1C ZINC000903929259 634689736 /nfs/dbraw/zinc/68/97/36/634689736.db2.gz CUQHLQLUCUVBBZ-XNRPHZJLSA-N 3 2 293.459 0.763 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cnn1C ZINC000903929259 634689741 /nfs/dbraw/zinc/68/97/41/634689741.db2.gz CUQHLQLUCUVBBZ-XNRPHZJLSA-N 3 2 293.459 0.763 20 0 CCADLP c1cc(N2CC[NH2+]CC2)oc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000904333837 634728270 /nfs/dbraw/zinc/72/82/70/634728270.db2.gz HPJGLCRVDRLHTJ-BETUJISGSA-N 3 2 276.384 0.340 20 0 CCADLP c1cc(N2CC[NH2+]CC2)oc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000904333837 634728276 /nfs/dbraw/zinc/72/82/76/634728276.db2.gz HPJGLCRVDRLHTJ-BETUJISGSA-N 3 2 276.384 0.340 20 0 CCADLP O[C@H](C[NH2+]CCn1cc[nH+]c1)CC1(O)CCCCC1 ZINC000905037387 634781007 /nfs/dbraw/zinc/78/10/07/634781007.db2.gz XQXGOVLEUNBXPU-ZDUSSCGKSA-N 2 2 267.373 0.919 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)CC1(O)CCCC1 ZINC000905044567 634783974 /nfs/dbraw/zinc/78/39/74/634783974.db2.gz FBKNQMCCXRGWDH-OLZOCXBDSA-N 2 2 267.373 0.917 20 0 CCADLP C[N@H+](CCF)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027595078 630791305 /nfs/dbraw/zinc/79/13/05/630791305.db2.gz UTNRIDOUASYMKF-GFCCVEGCSA-N 2 2 268.336 0.845 20 0 CCADLP C[N@@H+](CCF)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027595078 630791309 /nfs/dbraw/zinc/79/13/09/630791309.db2.gz UTNRIDOUASYMKF-GFCCVEGCSA-N 2 2 268.336 0.845 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC[NH+](CCF)CC1 ZINC000981959676 631349494 /nfs/dbraw/zinc/34/94/94/631349494.db2.gz OEBDPIQUUKWMJV-OLZOCXBDSA-N 2 2 271.380 0.688 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC[NH+](CCF)CC1 ZINC000981959676 631349500 /nfs/dbraw/zinc/34/95/00/631349500.db2.gz OEBDPIQUUKWMJV-OLZOCXBDSA-N 2 2 271.380 0.688 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CCC[N@H+](CCF)CC1 ZINC000981959676 631349506 /nfs/dbraw/zinc/34/95/06/631349506.db2.gz OEBDPIQUUKWMJV-OLZOCXBDSA-N 2 2 271.380 0.688 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CCC[N@@H+](CCF)CC1 ZINC000981959676 631349510 /nfs/dbraw/zinc/34/95/10/631349510.db2.gz OEBDPIQUUKWMJV-OLZOCXBDSA-N 2 2 271.380 0.688 20 0 CCADLP C[C@H](CC(=O)N1CCC[N@H+](CCO)CC1)n1cc[nH+]c1 ZINC000982050724 631373211 /nfs/dbraw/zinc/37/32/11/631373211.db2.gz FHLFWOIMSUVQAA-CYBMUJFWSA-N 2 2 280.372 0.361 20 0 CCADLP C[C@H](CC(=O)N1CCC[N@@H+](CCO)CC1)n1cc[nH+]c1 ZINC000982050724 631373217 /nfs/dbraw/zinc/37/32/17/631373217.db2.gz FHLFWOIMSUVQAA-CYBMUJFWSA-N 2 2 280.372 0.361 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC2(C1)CCC[N@@H+](CCCO)C2 ZINC000982087561 631374261 /nfs/dbraw/zinc/37/42/61/631374261.db2.gz WMBVMUDXWFVSGO-UHFFFAOYSA-N 2 2 292.383 0.259 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC2(C1)CCC[N@H+](CCCO)C2 ZINC000982087561 631374271 /nfs/dbraw/zinc/37/42/71/631374271.db2.gz WMBVMUDXWFVSGO-UHFFFAOYSA-N 2 2 292.383 0.259 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000982143404 631379624 /nfs/dbraw/zinc/37/96/24/631379624.db2.gz VQRMIPHJBDJPOQ-QWHCGFSZSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@@H](O)C[N@H+]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000982143404 631379626 /nfs/dbraw/zinc/37/96/26/631379626.db2.gz VQRMIPHJBDJPOQ-QWHCGFSZSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@@H]1CCC[NH2+]1 ZINC000925848302 631397018 /nfs/dbraw/zinc/39/70/18/631397018.db2.gz FCDNBKZXHQIUBB-XQQFMLRXSA-N 3 2 281.400 0.402 20 0 CCADLP Cn1nccc1[C@H](O)C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925888666 631434805 /nfs/dbraw/zinc/43/48/05/631434805.db2.gz FBKKBDHVBGKBNY-GIACCSKYSA-N 2 2 262.357 0.040 20 0 CCADLP Cn1nccc1[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925889896 631436219 /nfs/dbraw/zinc/43/62/19/631436219.db2.gz MNRYNVXQGDZNHY-QWHCGFSZSA-N 2 2 264.373 0.718 20 0 CCADLP O=C([C@@H]1CSC[NH2+]1)N1CC[NH+](C2CCC2)CC1 ZINC000262153989 631978595 /nfs/dbraw/zinc/97/85/95/631978595.db2.gz GEOODEYEODJEHL-NSHDSACASA-N 2 2 255.387 0.346 20 0 CCADLP NC(=O)c1c[nH+]ccc1N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000895567513 632104412 /nfs/dbraw/zinc/10/44/12/632104412.db2.gz QQPUXKQFWTTXNC-STQMWFEESA-N 2 2 292.408 0.594 20 0 CCADLP C[C@H](CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)[NH+](C)C ZINC000895681598 632132172 /nfs/dbraw/zinc/13/21/72/632132172.db2.gz RXPMKGWEKDQMAI-MFKMUULPSA-N 2 2 279.388 0.856 20 0 CCADLP 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O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000911857420 636426123 /nfs/dbraw/zinc/42/61/23/636426123.db2.gz WHAGYEFNQYWHRH-UPJWGTAASA-N 2 2 274.368 0.798 20 0 CCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1[C@@H]2C(=O)CC[C@H]12 ZINC000912303888 636548785 /nfs/dbraw/zinc/54/87/85/636548785.db2.gz LZDHMSJHGWDAIS-NZBPQXDJSA-N 2 2 295.427 0.600 20 0 CCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1[C@@H]2C(=O)CC[C@H]12 ZINC000912303888 636548789 /nfs/dbraw/zinc/54/87/89/636548789.db2.gz LZDHMSJHGWDAIS-NZBPQXDJSA-N 2 2 295.427 0.600 20 0 CCADLP C[C@H](C(=O)N1CC[C@@H]([NH+]2CCC2)C1)[NH+]1CCSCC1 ZINC000912913972 636702018 /nfs/dbraw/zinc/70/20/18/636702018.db2.gz SGNNHECBIITHIQ-CHWSQXEVSA-N 2 2 283.441 0.730 20 0 CCADLP CCNS(=O)(=O)CC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000230986103 637195256 /nfs/dbraw/zinc/19/52/56/637195256.db2.gz BUUDEFDWBYHUAB-CHWSQXEVSA-N 2 2 283.397 0.660 20 0 CCADLP COCC[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@H]12 ZINC000992533415 637465071 /nfs/dbraw/zinc/46/50/71/637465071.db2.gz NAKLDYPYAXXMEH-ZFWWWQNUSA-N 2 2 292.383 0.643 20 0 CCADLP COCC[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@H]12 ZINC000992533415 637465077 /nfs/dbraw/zinc/46/50/77/637465077.db2.gz NAKLDYPYAXXMEH-ZFWWWQNUSA-N 2 2 292.383 0.643 20 0 CCADLP C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+]2C)C[C@H]1[NH+]1CCOCC1 ZINC000925413674 637680992 /nfs/dbraw/zinc/68/09/92/637680992.db2.gz LGNNRMGIEPGXMP-MGPQQGTHSA-N 2 2 296.415 0.053 20 0 CCADLP C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+]2C)C[C@H]1[NH+]1CCOCC1 ZINC000925413674 637680998 /nfs/dbraw/zinc/68/09/98/637680998.db2.gz LGNNRMGIEPGXMP-MGPQQGTHSA-N 2 2 296.415 0.053 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCC[N@@H+]1CCCO ZINC000994232488 637878423 /nfs/dbraw/zinc/87/84/23/637878423.db2.gz QICNHDXMUZNDNI-OCCSQVGLSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CCC[N@H+]1CCCO ZINC000994232488 637878425 /nfs/dbraw/zinc/87/84/25/637878425.db2.gz QICNHDXMUZNDNI-OCCSQVGLSA-N 2 2 294.399 0.314 20 0 CCADLP COCC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000994504118 637953893 /nfs/dbraw/zinc/95/38/93/637953893.db2.gz GUYWBPRGCFGVFT-OLZOCXBDSA-N 2 2 280.372 0.499 20 0 CCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]CC1CC1 ZINC000939855885 638411738 /nfs/dbraw/zinc/41/17/38/638411738.db2.gz HSXOZPYSDDTTNA-DGCLKSJQSA-N 2 2 262.357 0.730 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CCF)C[C@@H]1C ZINC000944966332 638783893 /nfs/dbraw/zinc/78/38/93/638783893.db2.gz YHZSSOQCQBONRQ-WCQYABFASA-N 2 2 282.363 0.988 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CCF)C[C@@H]1C ZINC000944966332 638783894 /nfs/dbraw/zinc/78/38/94/638783894.db2.gz YHZSSOQCQBONRQ-WCQYABFASA-N 2 2 282.363 0.988 20 0 CCADLP CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1[NH2+]CCO ZINC000995933278 638805592 /nfs/dbraw/zinc/80/55/92/638805592.db2.gz KLTNNCAPQYPZEJ-NQBHXWOUSA-N 2 2 292.383 0.332 20 0 CCADLP CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1[NH2+]CCO ZINC000995933278 638805593 /nfs/dbraw/zinc/80/55/93/638805593.db2.gz KLTNNCAPQYPZEJ-NQBHXWOUSA-N 2 2 292.383 0.332 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]([NH2+]CCO)C(C)(C)C1 ZINC000996083934 638808880 /nfs/dbraw/zinc/80/88/80/638808880.db2.gz LNSUSJAFRLIESG-LBPRGKRZSA-N 2 2 294.399 0.172 20 0 CCADLP C[C@@H](O)C[NH2+]C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000997043788 638849850 /nfs/dbraw/zinc/84/98/50/638849850.db2.gz BEZHGVONWZMXQV-CHWSQXEVSA-N 2 2 294.399 0.796 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([NH2+]C[C@H](C)O)CC1 ZINC000997220986 638859485 /nfs/dbraw/zinc/85/94/85/638859485.db2.gz HVDFYKLMYVNECG-JTQLQIEISA-N 2 2 280.372 0.222 20 0 CCADLP C[C@H]1[C@@H](NC(=O)NC(C)(C)C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000925343653 638924524 /nfs/dbraw/zinc/92/45/24/638924524.db2.gz WONDFJZSBUONCH-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H]1[C@@H](NC(=O)NC(C)(C)C[NH+]2CCOCC2)CC[N@H+]1C ZINC000925343653 638924526 /nfs/dbraw/zinc/92/45/26/638924526.db2.gz WONDFJZSBUONCH-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP CCC[NH2+][C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001000547003 639118583 /nfs/dbraw/zinc/11/85/83/639118583.db2.gz QRROZOZPNFXBPU-NSHDSACASA-N 2 2 250.346 0.943 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001000693934 639153884 /nfs/dbraw/zinc/15/38/84/639153884.db2.gz HMMBDPWQRPQXFA-RYUDHWBXSA-N 2 2 294.399 0.649 20 0 CCADLP O=C(NC1CC[NH+](CCO)CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001003191436 639514803 /nfs/dbraw/zinc/51/48/03/639514803.db2.gz XZQYDWYEPPAIOO-GFCCVEGCSA-N 2 2 292.383 0.018 20 0 CCADLP CC[C@H](F)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016397803 639551350 /nfs/dbraw/zinc/55/13/50/639551350.db2.gz NOZWPEWTLSTURZ-NWDGAFQWSA-N 2 2 268.336 0.822 20 0 CCADLP CC[C@H](F)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016397803 639551359 /nfs/dbraw/zinc/55/13/59/639551359.db2.gz NOZWPEWTLSTURZ-NWDGAFQWSA-N 2 2 268.336 0.822 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016398126 639552313 /nfs/dbraw/zinc/55/23/13/639552313.db2.gz RHEPBGLNPJWHCB-RYUDHWBXSA-N 2 2 266.345 0.109 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016398126 639552317 /nfs/dbraw/zinc/55/23/17/639552317.db2.gz RHEPBGLNPJWHCB-RYUDHWBXSA-N 2 2 266.345 0.109 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](CCCO)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001015001308 650513275 /nfs/dbraw/zinc/51/32/75/650513275.db2.gz VAUCTDOJFZFCCB-QWHCGFSZSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](CCCO)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001015001308 650513276 /nfs/dbraw/zinc/51/32/76/650513276.db2.gz VAUCTDOJFZFCCB-QWHCGFSZSA-N 2 2 292.383 0.018 20 0 CCADLP COC[C@H](C)[NH+]1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001003847349 639634794 /nfs/dbraw/zinc/63/47/94/639634794.db2.gz WHJRZZJKLYOHFK-NSHDSACASA-N 2 2 280.372 0.568 20 0 CCADLP C[C@@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)[C@H]1C[NH3+] ZINC000923288664 640071853 /nfs/dbraw/zinc/07/18/53/640071853.db2.gz MDGCXILQGQRATQ-UPJWGTAASA-N 3 2 253.390 0.424 20 0 CCADLP C[C@@H]1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)[C@H]1C[NH3+] ZINC000923288664 640071858 /nfs/dbraw/zinc/07/18/58/640071858.db2.gz MDGCXILQGQRATQ-UPJWGTAASA-N 3 2 253.390 0.424 20 0 CCADLP c1c[nH+]c(C2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)[nH]1 ZINC000923321276 640084553 /nfs/dbraw/zinc/08/45/53/640084553.db2.gz BKGMQIXJBLUWQV-ZDUSSCGKSA-N 3 2 276.384 0.968 20 0 CCADLP Cn1cc(C[NH+]2CCN(CCC[NH2+]C3CC3)CC2)cn1 ZINC000923327165 640087787 /nfs/dbraw/zinc/08/77/87/640087787.db2.gz OBFAIHKDBRHDIU-UHFFFAOYSA-N 2 2 277.416 0.680 20 0 CCADLP C[C@H]([NH3+])C[N@H+](C)C[C@H](O)COc1ccc(F)cc1 ZINC000923412008 640128197 /nfs/dbraw/zinc/12/81/97/640128197.db2.gz VPEJQHGLLRRMGG-JQWIXIFHSA-N 2 2 256.321 0.844 20 0 CCADLP C[C@H]([NH3+])C[N@@H+](C)C[C@H](O)COc1ccc(F)cc1 ZINC000923412008 640128203 /nfs/dbraw/zinc/12/82/03/640128203.db2.gz VPEJQHGLLRRMGG-JQWIXIFHSA-N 2 2 256.321 0.844 20 0 CCADLP C[C@@H](O)C[NH+]1CCC(N(C)C(=O)Cc2c[nH+]cn2C)CC1 ZINC001006297743 640219458 /nfs/dbraw/zinc/21/94/58/640219458.db2.gz GQKCYSLQTBPVFM-GFCCVEGCSA-N 2 2 294.399 0.266 20 0 CCADLP Cn1ccnc1[C@H](O)C1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000843060859 640360489 /nfs/dbraw/zinc/36/04/89/640360489.db2.gz DDQCBLBHZIMGET-GFCCVEGCSA-N 2 2 266.389 0.903 20 0 CCADLP C[C@@H]1CCC[N@@H+]1CCNC(=O)Cc1c[nH+]cn1C ZINC000807271309 640821384 /nfs/dbraw/zinc/82/13/84/640821384.db2.gz SJJZHVWTZDVZMA-LLVKDONJSA-N 2 2 250.346 0.563 20 0 CCADLP C[C@@H]1CCC[N@H+]1CCNC(=O)Cc1c[nH+]cn1C ZINC000807271309 640821389 /nfs/dbraw/zinc/82/13/89/640821389.db2.gz SJJZHVWTZDVZMA-LLVKDONJSA-N 2 2 250.346 0.563 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001015996084 650672502 /nfs/dbraw/zinc/67/25/02/650672502.db2.gz CRPPEDSOEJCUOM-NEPJUHHUSA-N 2 2 280.372 0.188 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001015996084 650672504 /nfs/dbraw/zinc/67/25/04/650672504.db2.gz CRPPEDSOEJCUOM-NEPJUHHUSA-N 2 2 280.372 0.188 20 0 CCADLP CC[C@@H](C[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1)OC ZINC001016108538 650682047 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CCCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016397876 650724830 /nfs/dbraw/zinc/72/48/30/650724830.db2.gz OWNSPDRJKVDGKD-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP C[C@@H]1C[N@@H+](CCCCNC(=O)Cc2[nH]cc[nH+]2)C[C@H](C)O1 ZINC000829799939 642192877 /nfs/dbraw/zinc/19/28/77/642192877.db2.gz BUGHVZVMVOXGCZ-BETUJISGSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@@H]1C[N@H+](CCCCNC(=O)Cc2[nH]cc[nH+]2)C[C@H](C)O1 ZINC000829799939 642192881 /nfs/dbraw/zinc/19/28/81/642192881.db2.gz BUGHVZVMVOXGCZ-BETUJISGSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@@H](O)C[NH+]1CCC2(C[C@@H]2NC(=O)Cn2cc[nH+]c2)CC1 ZINC001016996032 650776041 /nfs/dbraw/zinc/77/60/41/650776041.db2.gz XYGRMLAUFBGIMW-OLZOCXBDSA-N 2 2 292.383 0.235 20 0 CCADLP COc1c(C)c[nH+]c(CNC(=O)N(C)CC[NH3+])c1C ZINC000841761750 642835270 /nfs/dbraw/zinc/83/52/70/642835270.db2.gz KTARPDUSSNJHDL-UHFFFAOYSA-N 2 2 266.345 0.807 20 0 CCADLP O[C@@H](C[NH2+]C[C@H](O)c1ccc(F)cn1)C[NH+]1CCCC1 ZINC000843061188 642983541 /nfs/dbraw/zinc/98/35/41/642983541.db2.gz 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643208686 /nfs/dbraw/zinc/20/86/86/643208686.db2.gz ZELSZYAGIHNGKV-CQSZACIVSA-N 2 2 296.411 0.766 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CCO1 ZINC000847306363 643502765 /nfs/dbraw/zinc/50/27/65/643502765.db2.gz QZFVRZBMQRGHSG-MCIONIFRSA-N 2 2 298.431 0.347 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CCO1 ZINC000847306363 643502778 /nfs/dbraw/zinc/50/27/78/643502778.db2.gz QZFVRZBMQRGHSG-MCIONIFRSA-N 2 2 298.431 0.347 20 0 CCADLP COCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001018336592 650853326 /nfs/dbraw/zinc/85/33/26/650853326.db2.gz CSFQYMVMOQDBBW-BETUJISGSA-N 2 2 278.356 0.205 20 0 CCADLP COCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001018336592 650853328 /nfs/dbraw/zinc/85/33/28/650853328.db2.gz CSFQYMVMOQDBBW-BETUJISGSA-N 2 2 278.356 0.205 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=S)NCC[NH+](C)C)[C@@H](C)CO1 ZINC000849280489 643727077 /nfs/dbraw/zinc/72/70/77/643727077.db2.gz DMEJCSXRRXWTNP-RYUDHWBXSA-N 2 2 288.461 0.121 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=S)NCC[NH+](C)C)[C@@H](C)CO1 ZINC000849280489 643727087 /nfs/dbraw/zinc/72/70/87/643727087.db2.gz DMEJCSXRRXWTNP-RYUDHWBXSA-N 2 2 288.461 0.121 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC(N2CCOC2=O)CC1)C1CC1 ZINC000852720594 643991340 /nfs/dbraw/zinc/99/13/40/643991340.db2.gz LZTPHJWTUCHECJ-AWEZNQCLSA-N 2 2 297.399 0.358 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(N2CCOC2=O)CC1)C1CC1 ZINC000852720594 643991345 /nfs/dbraw/zinc/99/13/45/643991345.db2.gz LZTPHJWTUCHECJ-AWEZNQCLSA-N 2 2 297.399 0.358 20 0 CCADLP Cc1nc(N)sc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000852847045 644021290 /nfs/dbraw/zinc/02/12/90/644021290.db2.gz NMBSMFBERGHLQD-UHFFFAOYSA-N 2 2 299.444 0.647 20 0 CCADLP Cc1nc(N)sc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000852847045 644021296 /nfs/dbraw/zinc/02/12/96/644021296.db2.gz NMBSMFBERGHLQD-UHFFFAOYSA-N 2 2 299.444 0.647 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C=C1CC[NH2+]CC1 ZINC000852859749 644027490 /nfs/dbraw/zinc/02/74/90/644027490.db2.gz ZGSJLIRPGIMQGO-LBPRGKRZSA-N 2 2 267.373 0.133 20 0 CCADLP O[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccn1 ZINC000853098910 644074607 /nfs/dbraw/zinc/07/46/07/644074607.db2.gz QBCINJSMOUJSSH-GZBFAFLISA-N 2 2 277.368 0.568 20 0 CCADLP O[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccn1 ZINC000853098910 644074611 /nfs/dbraw/zinc/07/46/11/644074611.db2.gz QBCINJSMOUJSSH-GZBFAFLISA-N 2 2 277.368 0.568 20 0 CCADLP OCc1cc(NCC2([NH+]3CCOCC3)CC2)cc[nH+]1 ZINC000858516642 644627686 /nfs/dbraw/zinc/62/76/86/644627686.db2.gz LHUANUSCSSXGEV-UHFFFAOYSA-N 2 2 263.341 0.851 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@H]([NH2+]CC)C1 ZINC001019192866 650945421 /nfs/dbraw/zinc/94/54/21/650945421.db2.gz QHBWXNZZGLGSGZ-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@H]([NH2+]CC)C1 ZINC001019192866 650945426 /nfs/dbraw/zinc/94/54/26/650945426.db2.gz QHBWXNZZGLGSGZ-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP Cc1c[nH+]cn1CC(=O)O[C@H]1C[C@@H]([NH+]2CCOCC2)C1 ZINC000860751544 644826780 /nfs/dbraw/zinc/82/67/80/644826780.db2.gz DLKDJXKMIHWDBM-BETUJISGSA-N 2 2 279.340 0.598 20 0 CCADLP Cc1cn2cc(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])ccc2[nH+]1 ZINC000861543031 644890182 /nfs/dbraw/zinc/89/01/82/644890182.db2.gz WJPLSRFGSYRLEM-SECBINFHSA-N 2 2 289.339 0.387 20 0 CCADLP C[C@H](CC(=O)N1CC[C@H]([NH2+]CCF)C1)n1cc[nH+]c1 ZINC001019447309 650974042 /nfs/dbraw/zinc/97/40/42/650974042.db2.gz BWPROFWRKUXAJO-NEPJUHHUSA-N 2 2 268.336 0.994 20 0 CCADLP O=C(/C=C/C[NH+]1CCOCC1)NCCC[NH+]1CCCCC1 ZINC000864587506 645242492 /nfs/dbraw/zinc/24/24/92/645242492.db2.gz MOUPRFYYMQGSEI-GQCTYLIASA-N 2 2 295.427 0.867 20 0 CCADLP C[C@H]1CCC[N@H+](CCNC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000864879338 645298721 /nfs/dbraw/zinc/29/87/21/645298721.db2.gz IXTGAFYKLDCKIY-QTLSWZBMSA-N 2 2 295.427 0.723 20 0 CCADLP C[C@H]1CCC[N@@H+](CCNC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000864879338 645298733 /nfs/dbraw/zinc/29/87/33/645298733.db2.gz IXTGAFYKLDCKIY-QTLSWZBMSA-N 2 2 295.427 0.723 20 0 CCADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000864962305 645308789 /nfs/dbraw/zinc/30/87/89/645308789.db2.gz JVGYQZSIRPNDTN-YUKKFKLSSA-N 2 2 293.411 0.475 20 0 CCADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000864962305 645308794 /nfs/dbraw/zinc/30/87/94/645308794.db2.gz JVGYQZSIRPNDTN-YUKKFKLSSA-N 2 2 293.411 0.475 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000865411379 645365523 /nfs/dbraw/zinc/36/55/23/645365523.db2.gz CNBQNHJTWTUMPZ-OCCSQVGLSA-N 2 2 290.371 0.832 20 0 CCADLP O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000865987743 645453833 /nfs/dbraw/zinc/45/38/33/645453833.db2.gz BQXNYZNBAUMVJH-JSGCOSHPSA-N 2 2 292.383 0.920 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000868280552 645742764 /nfs/dbraw/zinc/74/27/64/645742764.db2.gz BDRHKBDIXPEAQS-MDZLAQPJSA-N 2 2 278.356 0.528 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870864440 646029163 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293.411 0.546 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925849546 648466445 /nfs/dbraw/zinc/46/64/45/648466445.db2.gz PNOXEQKDJPQVPZ-AGIUHOORSA-N 3 2 281.400 0.259 20 0 CCADLP Cc1noc(C)c1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000925993554 648474901 /nfs/dbraw/zinc/47/49/01/648474901.db2.gz NQCJSMXOUCZCCR-UHFFFAOYSA-N 2 2 281.360 0.836 20 0 CCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@@H]1CC[N@H+]1C)C2 ZINC000928554727 648647538 /nfs/dbraw/zinc/64/75/38/648647538.db2.gz IOPZCQZHPVWEGW-NEPJUHHUSA-N 2 2 262.357 0.574 20 0 CCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C)C2 ZINC000928554727 648647545 /nfs/dbraw/zinc/64/75/45/648647545.db2.gz IOPZCQZHPVWEGW-NEPJUHHUSA-N 2 2 262.357 0.574 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1[C@H](C)C(=O)N[C@H](C)[C@@H]1C ZINC000930839362 648915156 /nfs/dbraw/zinc/91/51/56/648915156.db2.gz WQYYAOBYXSYARU-OUAUKWLOSA-N 2 2 250.346 0.789 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1[C@H](C)C(=O)N[C@H](C)[C@@H]1C ZINC000930839362 648915160 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CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@H](O)CC1(O)CCC1 ZINC000931718111 649021591 /nfs/dbraw/zinc/02/15/91/649021591.db2.gz KHNSAOFPFVMHNU-BFHYXJOUSA-N 2 2 268.401 0.821 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)c2coc(C[NH3+])c2)CC1 ZINC000188057618 649340496 /nfs/dbraw/zinc/34/04/96/649340496.db2.gz GNOFEBKLYNLPLD-UHFFFAOYSA-N 2 2 281.356 0.533 20 0 CCADLP CN1C(=O)CN(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)C1=O ZINC000245917731 649658876 /nfs/dbraw/zinc/65/88/76/649658876.db2.gz QGNJJHYRMYAVFE-RYUDHWBXSA-N 2 2 280.372 0.254 20 0 CCADLP CN1C(=O)CN(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)C1=O ZINC000245917731 649658878 /nfs/dbraw/zinc/65/88/78/649658878.db2.gz QGNJJHYRMYAVFE-RYUDHWBXSA-N 2 2 280.372 0.254 20 0 CCADLP CN1C(=O)CN(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)C1=O ZINC000245917731 649658881 /nfs/dbraw/zinc/65/88/81/649658881.db2.gz QGNJJHYRMYAVFE-RYUDHWBXSA-N 2 2 280.372 0.254 20 0 CCADLP CN1C(=O)CN(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)C1=O ZINC000245917731 649658882 /nfs/dbraw/zinc/65/88/82/649658882.db2.gz QGNJJHYRMYAVFE-RYUDHWBXSA-N 2 2 280.372 0.254 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[NH+](CC2CCC2)CC1 ZINC000957895789 649768316 /nfs/dbraw/zinc/76/83/16/649768316.db2.gz IQXWHZCAKIQONC-UHFFFAOYSA-N 2 2 262.357 0.827 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)N2CCO[C@H](C)C2)CC[C@H]1[NH3+] ZINC000251904812 649822731 /nfs/dbraw/zinc/82/27/31/649822731.db2.gz XENDMCVBJLCZKE-JHJVBQTASA-N 2 2 269.389 0.293 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)N2CCO[C@H](C)C2)CC[C@H]1[NH3+] ZINC000251904812 649822732 /nfs/dbraw/zinc/82/27/32/649822732.db2.gz XENDMCVBJLCZKE-JHJVBQTASA-N 2 2 269.389 0.293 20 0 CCADLP CCc1cc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)nc(C)[nH+]1 ZINC000302075832 719411470 /nfs/dbraw/zinc/41/14/70/719411470.db2.gz HAUYQKGZQHBRPJ-OLZOCXBDSA-N 2 2 262.357 0.867 20 0 CCADLP CCc1cc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)nc(C)[nH+]1 ZINC000302075832 719411475 /nfs/dbraw/zinc/41/14/75/719411475.db2.gz HAUYQKGZQHBRPJ-OLZOCXBDSA-N 2 2 262.357 0.867 20 0 CCADLP Cn1c[nH+]cc1CN1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001039005622 790327604 /nfs/dbraw/zinc/32/76/04/790327604.db2.gz HDYDPWGSAHZFNN-QWHCGFSZSA-N 2 2 291.399 0.062 20 0 CCADLP Cn1c[nH+]cc1CN1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039005622 790327608 /nfs/dbraw/zinc/32/76/08/790327608.db2.gz HDYDPWGSAHZFNN-QWHCGFSZSA-N 2 2 291.399 0.062 20 0 CCADLP COCCC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001266252066 790331216 /nfs/dbraw/zinc/33/12/16/790331216.db2.gz MADTUSJGZFECAE-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP COCCC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001266252066 790331230 /nfs/dbraw/zinc/33/12/30/790331230.db2.gz MADTUSJGZFECAE-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP C[C@@H]1C[C@H](C[NH2+]CCCNC(=O)Cc2c[nH]c[nH+]2)CCO1 ZINC001167346152 790932881 /nfs/dbraw/zinc/93/28/81/790932881.db2.gz JMFMRFWLDBNBCO-CHWSQXEVSA-N 2 2 294.399 0.863 20 0 CCADLP CC[C@@H](F)C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167346865 790937557 /nfs/dbraw/zinc/93/75/57/790937557.db2.gz SHBXQHPRYNRACT-SNVBAGLBSA-N 2 2 256.325 0.796 20 0 CCADLP Cc1ccncc1C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167355502 790958074 /nfs/dbraw/zinc/95/80/74/790958074.db2.gz LTNQFRNYXDRCHD-UHFFFAOYSA-N 2 2 287.367 0.952 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCCO)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001277765105 806024290 /nfs/dbraw/zinc/02/42/90/806024290.db2.gz ZOKXTALYHYRPHR-VXGBXAGGSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H](NC(=O)N1CCCC[C@@H]1C[NH3+])[C@@H](C)[NH+]1CCOCC1 ZINC000891517871 791264682 /nfs/dbraw/zinc/26/46/82/791264682.db2.gz MOBYDGAXXIQJEC-MGPQQGTHSA-N 2 2 298.431 0.618 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(N)n2)C1 ZINC001233372692 806050346 /nfs/dbraw/zinc/05/03/46/806050346.db2.gz ANVGJJYWSGURPI-CYBMUJFWSA-N 2 2 291.399 0.306 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(N)n2)C1 ZINC001233372692 806050356 /nfs/dbraw/zinc/05/03/56/806050356.db2.gz ANVGJJYWSGURPI-CYBMUJFWSA-N 2 2 291.399 0.306 20 0 CCADLP CC(C)[NH2+][C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001266949408 791383687 /nfs/dbraw/zinc/38/36/87/791383687.db2.gz OKQJEKPFLRKLBE-NEPJUHHUSA-N 2 2 264.373 0.948 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CCCF ZINC001266950743 791387266 /nfs/dbraw/zinc/38/72/66/791387266.db2.gz WLEXIDKCKQUDAB-VXGBXAGGSA-N 2 2 282.363 0.899 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)C1CCC([NH3+])CC1 ZINC000382380841 791415711 /nfs/dbraw/zinc/41/57/11/791415711.db2.gz RGURMUQLQOODDT-JXQTWKCFSA-N 3 2 273.421 0.127 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)C1CCC([NH3+])CC1 ZINC000382380841 791415719 /nfs/dbraw/zinc/41/57/19/791415719.db2.gz RGURMUQLQOODDT-JXQTWKCFSA-N 3 2 273.421 0.127 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000382380841 791415726 /nfs/dbraw/zinc/41/57/26/791415726.db2.gz RGURMUQLQOODDT-JXQTWKCFSA-N 3 2 273.421 0.127 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000382380841 791415731 /nfs/dbraw/zinc/41/57/31/791415731.db2.gz RGURMUQLQOODDT-JXQTWKCFSA-N 3 2 273.421 0.127 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([N@H+](C)CCF)C1 ZINC000971949418 791458734 /nfs/dbraw/zinc/45/87/34/791458734.db2.gz JHADEGDJIWPNLS-GFCCVEGCSA-N 2 2 268.336 0.694 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([N@@H+](C)CCF)C1 ZINC000971949418 791458747 /nfs/dbraw/zinc/45/87/47/791458747.db2.gz JHADEGDJIWPNLS-GFCCVEGCSA-N 2 2 268.336 0.694 20 0 CCADLP CC(C)OCC[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001267063923 791491507 /nfs/dbraw/zinc/49/15/07/791491507.db2.gz ZBOPFUHYXQHXTM-ZDUSSCGKSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001267134102 791580325 /nfs/dbraw/zinc/58/03/25/791580325.db2.gz PNMXGZOERSSVMT-QWHCGFSZSA-N 2 2 294.399 0.576 20 0 CCADLP COC(=O)C[NH+]1CCC2(CC[N@H+](CC(=O)N(C)C)C2)CC1 ZINC001277821697 806161181 /nfs/dbraw/zinc/16/11/81/806161181.db2.gz NXCPPJDSZJUSTP-UHFFFAOYSA-N 2 2 297.399 0.036 20 0 CCADLP COC(=O)C[NH+]1CCC2(CC[N@@H+](CC(=O)N(C)C)C2)CC1 ZINC001277821697 806161186 /nfs/dbraw/zinc/16/11/86/806161186.db2.gz NXCPPJDSZJUSTP-UHFFFAOYSA-N 2 2 297.399 0.036 20 0 CCADLP CCN(CC)C(=O)C[NH+]1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001277903866 806310874 /nfs/dbraw/zinc/31/08/74/806310874.db2.gz VTGRNNRYNSKJGX-UHFFFAOYSA-N 2 2 282.432 0.034 20 0 CCADLP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001234971694 806322203 /nfs/dbraw/zinc/32/22/03/806322203.db2.gz RVORFBLEDBCPCW-QNWHQSFQSA-N 3 2 289.370 0.397 20 0 CCADLP C[C@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001234971694 806322212 /nfs/dbraw/zinc/32/22/12/806322212.db2.gz RVORFBLEDBCPCW-QNWHQSFQSA-N 3 2 289.370 0.397 20 0 CCADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234979383 806323566 /nfs/dbraw/zinc/32/35/66/806323566.db2.gz DZHFZYLQIXYXCZ-JHJVBQTASA-N 3 2 288.386 0.115 20 0 CCADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1CN1CCNC[C@]12CC[NH2+]C2 ZINC001234979383 806323577 /nfs/dbraw/zinc/32/35/77/806323577.db2.gz DZHFZYLQIXYXCZ-JHJVBQTASA-N 2 2 288.386 0.115 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@@H](NCC2([NH3+])CCCC2)C[NH2+]1 ZINC001246074386 807142092 /nfs/dbraw/zinc/14/20/92/807142092.db2.gz CWHMYILIRMDDTR-BXUZGUMPSA-N 2 2 269.389 0.531 20 0 CCADLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+](CCCO)C2)C1 ZINC001235486580 806429948 /nfs/dbraw/zinc/42/99/48/806429948.db2.gz RGLDZANGMDKUAK-OAHLLOKOSA-N 2 2 286.416 0.430 20 0 CCADLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+](CCCO)C2)C1 ZINC001235486580 806429955 /nfs/dbraw/zinc/42/99/55/806429955.db2.gz RGLDZANGMDKUAK-OAHLLOKOSA-N 2 2 286.416 0.430 20 0 CCADLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+](CCCO)C2)C1 ZINC001235486580 806429961 /nfs/dbraw/zinc/42/99/61/806429961.db2.gz RGLDZANGMDKUAK-OAHLLOKOSA-N 2 2 286.416 0.430 20 0 CCADLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+](CCCO)C2)C1 ZINC001235486580 806429964 /nfs/dbraw/zinc/42/99/64/806429964.db2.gz RGLDZANGMDKUAK-OAHLLOKOSA-N 2 2 286.416 0.430 20 0 CCADLP C[NH+]1CCC(C[N@@H+]2CCn3cnc(CO)c3C2)CC1 ZINC001235503344 806437171 /nfs/dbraw/zinc/43/71/71/806437171.db2.gz RRSCIBIFMWCKFC-UHFFFAOYSA-N 2 2 264.373 0.533 20 0 CCADLP C[NH+]1CCC(C[N@H+]2CCn3cnc(CO)c3C2)CC1 ZINC001235503344 806437176 /nfs/dbraw/zinc/43/71/76/806437176.db2.gz RRSCIBIFMWCKFC-UHFFFAOYSA-N 2 2 264.373 0.533 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1CC[C@H]2O[C@@H](COCC(=O)N(C)C)CC[C@H]21 ZINC001235514344 806440901 /nfs/dbraw/zinc/44/09/01/806440901.db2.gz FZAINOLUDMFDPM-REWJHTLYSA-N 2 2 299.415 0.060 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1CC[C@H]2O[C@@H](COCC(=O)N(C)C)CC[C@H]21 ZINC001235514344 806440906 /nfs/dbraw/zinc/44/09/06/806440906.db2.gz FZAINOLUDMFDPM-REWJHTLYSA-N 2 2 299.415 0.060 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+]1C[C@@H]2COC[C@]2(COc2cccnc2)C1 ZINC001235549832 806453161 /nfs/dbraw/zinc/45/31/61/806453161.db2.gz JLLJBVOCDKUIBW-NFAWXSAZSA-N 2 2 277.368 0.756 20 0 CCADLP C[C@@H]([NH3+])C[N@H+]1C[C@@H]2COC[C@]2(COc2cccnc2)C1 ZINC001235549832 806453167 /nfs/dbraw/zinc/45/31/67/806453167.db2.gz JLLJBVOCDKUIBW-NFAWXSAZSA-N 2 2 277.368 0.756 20 0 CCADLP CC[N@@H+]1CCn2c(C)cnc2C12CCN(CC[NH3+])CC2 ZINC001235548232 806453592 /nfs/dbraw/zinc/45/35/92/806453592.db2.gz YZRCVGPECMALLA-UHFFFAOYSA-N 2 2 277.416 0.777 20 0 CCADLP CC[N@H+]1CCn2c(C)cnc2C12CCN(CC[NH3+])CC2 ZINC001235548232 806453595 /nfs/dbraw/zinc/45/35/95/806453595.db2.gz YZRCVGPECMALLA-UHFFFAOYSA-N 2 2 277.416 0.777 20 0 CCADLP C[C@H]([NH3+])C[NH+]1C[C@H]2CN(C(=O)c3ccco3)C[C@@H]2C1 ZINC001235583445 806463303 /nfs/dbraw/zinc/46/33/03/806463303.db2.gz QPSLANORXCZDIG-SRVKXCTJSA-N 2 2 263.341 0.631 20 0 CCADLP CC(C)C(=O)N1CC[C@H]2C[N@H+](C[C@H](C)[NH3+])CC[C@@H]21 ZINC001235594020 806468065 /nfs/dbraw/zinc/46/80/65/806468065.db2.gz OXXUZFKEYKGJCS-AVGNSLFASA-N 2 2 253.390 0.912 20 0 CCADLP CC(C)C(=O)N1CC[C@H]2C[N@@H+](C[C@H](C)[NH3+])CC[C@@H]21 ZINC001235594020 806468069 /nfs/dbraw/zinc/46/80/69/806468069.db2.gz OXXUZFKEYKGJCS-AVGNSLFASA-N 2 2 253.390 0.912 20 0 CCADLP [NH3+]CC[N@@H+]1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001235598235 806469626 /nfs/dbraw/zinc/46/96/26/806469626.db2.gz WIPFBYDRYZJHSV-HIFRSBDPSA-N 2 2 277.368 0.505 20 0 CCADLP [NH3+]CC[N@H+]1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 ZINC001235598235 806469630 /nfs/dbraw/zinc/46/96/30/806469630.db2.gz WIPFBYDRYZJHSV-HIFRSBDPSA-N 2 2 277.368 0.505 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1CC[C@@]2(C[C@H]2C(=O)NCc2cccnc2)C1 ZINC001235613567 806472604 /nfs/dbraw/zinc/47/26/04/806472604.db2.gz XPIMHOSEVUDAPP-DUVNUKRYSA-N 2 2 288.395 0.757 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1CC[C@@]2(C[C@H]2C(=O)NCc2cccnc2)C1 ZINC001235613567 806472605 /nfs/dbraw/zinc/47/26/05/806472605.db2.gz XPIMHOSEVUDAPP-DUVNUKRYSA-N 2 2 288.395 0.757 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@]2(CCN(c3cncnc3)C2=O)C1 ZINC001235661669 806486355 /nfs/dbraw/zinc/48/63/55/806486355.db2.gz VAAQISNKIONAEG-WFASDCNBSA-N 2 2 289.383 0.643 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1CCC[C@]2(CCN(c3cncnc3)C2=O)C1 ZINC001235661669 806486361 /nfs/dbraw/zinc/48/63/61/806486361.db2.gz VAAQISNKIONAEG-WFASDCNBSA-N 2 2 289.383 0.643 20 0 CCADLP CC(C)(CO)C[NH+]1CC2(CCN2CCn2cc[nH+]c2)C1 ZINC001277967959 806501535 /nfs/dbraw/zinc/50/15/35/806501535.db2.gz NGSAYVWQXQFJSJ-UHFFFAOYSA-N 2 2 278.400 0.662 20 0 CCADLP [NH3+][C@H]1NC(CN2CC[NH2+]C[C@H]2Cc2ccccc2)=CS1 ZINC001235847412 806509098 /nfs/dbraw/zinc/50/90/98/806509098.db2.gz HYNQLHVARLTTAL-CABCVRRESA-N 2 2 290.436 0.923 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H](N[C@H]2CCCC[NH2+]C2)C[NH2+]1 ZINC001246088989 807149420 /nfs/dbraw/zinc/14/94/20/807149420.db2.gz AOKIZLPLVNURLA-SGMGOOAPSA-N 2 2 269.389 0.402 20 0 CCADLP CCOC(=O)c1cc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c[nH]1 ZINC001236000303 806526485 /nfs/dbraw/zinc/52/64/85/806526485.db2.gz SKLPSVNYSPYYSO-ONXXMXGDSA-N 2 2 293.367 0.597 20 0 CCADLP CCOC(=O)c1cc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c[nH]1 ZINC001236000303 806526491 /nfs/dbraw/zinc/52/64/91/806526491.db2.gz SKLPSVNYSPYYSO-ONXXMXGDSA-N 2 2 293.367 0.597 20 0 CCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235982703 806522059 /nfs/dbraw/zinc/52/20/59/806522059.db2.gz WSAUXBSFKQFKDO-PELKAZGASA-N 2 2 250.302 0.119 20 0 CCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235982703 806522064 /nfs/dbraw/zinc/52/20/64/806522064.db2.gz WSAUXBSFKQFKDO-PELKAZGASA-N 2 2 250.302 0.119 20 0 CCADLP CC(C)(O)c1ccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cn1 ZINC001236000328 806527214 /nfs/dbraw/zinc/52/72/14/806527214.db2.gz SVVJDGRDISOSEJ-NNQSOWQGSA-N 2 2 291.395 0.715 20 0 CCADLP CC(C)(O)c1ccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cn1 ZINC001236000328 806527222 /nfs/dbraw/zinc/52/72/22/806527222.db2.gz SVVJDGRDISOSEJ-NNQSOWQGSA-N 2 2 291.395 0.715 20 0 CCADLP C1C[NH2+]CC2(C1)CCC([NH2+][C@@H]1C[NH2+]CCOC1)CC2 ZINC001246094708 807151696 /nfs/dbraw/zinc/15/16/96/807151696.db2.gz XNQNQCYXUOWLLE-SHARSMKWSA-N 3 2 267.417 0.877 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1c[nH+]c2c(C)cccn12 ZINC001236197547 806550331 /nfs/dbraw/zinc/55/03/31/806550331.db2.gz SIGPGOLQOCBOKI-AAEUAGOBSA-N 2 2 288.351 0.717 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1ccc2[nH+]ccn2c1 ZINC001236199590 806552358 /nfs/dbraw/zinc/55/23/58/806552358.db2.gz PLFKXCAVQRLHLQ-NEPJUHHUSA-N 2 2 274.324 0.409 20 0 CCADLP COC(=O)[C@@H]1CN(Cc2c[nH+]c3ccc(C)cn23)C[C@@H]1[NH3+] ZINC001236341447 806571592 /nfs/dbraw/zinc/57/15/92/806571592.db2.gz ICFZNYSZKRIBNH-OLZOCXBDSA-N 2 2 288.351 0.575 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](C(=O)OC)CC2)C[C@@H]1[NH3+] ZINC001236340836 806571795 /nfs/dbraw/zinc/57/17/95/806571795.db2.gz JZJLYEZWTXSRFO-LPWJVIDDSA-N 2 2 298.383 0.398 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](C(=O)OC)CC2)C[C@@H]1[NH3+] ZINC001236340836 806571806 /nfs/dbraw/zinc/57/18/06/806571806.db2.gz JZJLYEZWTXSRFO-LPWJVIDDSA-N 2 2 298.383 0.398 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC(N3CCOCC3=O)CC2)O1 ZINC001236464355 806591242 /nfs/dbraw/zinc/59/12/42/806591242.db2.gz BNRWOAWPIUUROZ-ZDUSSCGKSA-N 2 2 297.399 0.034 20 0 CCADLP CCOCC[NH+]1CCC(C)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001278093893 806659424 /nfs/dbraw/zinc/65/94/24/806659424.db2.gz CGRPSAKYWIICMV-UHFFFAOYSA-N 2 2 294.399 0.890 20 0 CCADLP Nc1cc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)nc[nH+]1 ZINC001120895645 798956586 /nfs/dbraw/zinc/95/65/86/798956586.db2.gz GNYGQFFXXLYGEU-QWRGUYRKSA-N 2 2 263.345 0.094 20 0 CCADLP CC(C)(C(=O)N1CCC(C[NH3+])CC1)c1c[nH+]c[nH]1 ZINC001121892266 799086213 /nfs/dbraw/zinc/08/62/13/799086213.db2.gz LIMOGCPDCSPDSU-UHFFFAOYSA-N 2 2 250.346 0.885 20 0 CCADLP [NH3+]CCNCC(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001121990207 799114536 /nfs/dbraw/zinc/11/45/36/799114536.db2.gz ZSAQHPJAHYOSBJ-UHFFFAOYSA-N 2 2 292.383 0.006 20 0 CCADLP C[C@H](CNC(=O)CC1CC([NH3+])C1)Cn1cc[nH+]c1 ZINC001121990024 799114989 /nfs/dbraw/zinc/11/49/89/799114989.db2.gz ZQHNRQFAUILKDC-VOMCLLRMSA-N 2 2 250.346 0.763 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC001122139502 799152178 /nfs/dbraw/zinc/15/21/78/799152178.db2.gz BDQPSAKFUWTSER-XXFPWJFMSA-N 2 2 269.295 0.689 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)C(C)(C)C[NH3+] ZINC001122173167 799161069 /nfs/dbraw/zinc/16/10/69/799161069.db2.gz GMWSEEISMJZFEQ-NSHDSACASA-N 2 2 257.378 0.198 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC001122173274 799161079 /nfs/dbraw/zinc/16/10/79/799161079.db2.gz ILHFUKLMJGMNQZ-CHWSQXEVSA-N 2 2 267.373 0.261 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@H]([NH3+])C1CC1 ZINC001122254299 799180202 /nfs/dbraw/zinc/18/02/02/799180202.db2.gz ODNSFQSLSXAJJW-STQMWFEESA-N 2 2 269.389 0.341 20 0 CCADLP CC[NH+]1CC2(C1)CC[C@@H](C(=O)NC1CC[NH+](C)CC1)O2 ZINC001278159594 806730012 /nfs/dbraw/zinc/73/00/12/806730012.db2.gz RJUHEZPTAIJRHG-ZDUSSCGKSA-N 2 2 281.400 0.450 20 0 CCADLP Cc1cnc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001124878411 799642715 /nfs/dbraw/zinc/64/27/15/799642715.db2.gz LSGZXOPUJXRANW-RYUDHWBXSA-N 2 2 280.372 0.844 20 0 CCADLP Cc1cnc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001124878411 799642720 /nfs/dbraw/zinc/64/27/20/799642720.db2.gz LSGZXOPUJXRANW-RYUDHWBXSA-N 2 2 280.372 0.844 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)s1 ZINC001124879590 799643079 /nfs/dbraw/zinc/64/30/79/799643079.db2.gz XCBDHNCGTWBFKX-JTQLQIEISA-N 2 2 297.428 0.401 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)s1 ZINC001124879590 799643081 /nfs/dbraw/zinc/64/30/81/799643081.db2.gz XCBDHNCGTWBFKX-JTQLQIEISA-N 2 2 297.428 0.401 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cnc(N)s2)C1 ZINC001139228966 799794711 /nfs/dbraw/zinc/79/47/11/799794711.db2.gz ICZCVMUAVAOSKB-SNVBAGLBSA-N 2 2 297.428 0.368 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cnc(N)s2)C1 ZINC001139228966 799794714 /nfs/dbraw/zinc/79/47/14/799794714.db2.gz ICZCVMUAVAOSKB-SNVBAGLBSA-N 2 2 297.428 0.368 20 0 CCADLP CCN(C(=O)CCn1cc[nH+]c1)[C@H]1CCC[NH2+]C1 ZINC000037541141 799989956 /nfs/dbraw/zinc/98/99/56/799989956.db2.gz PZYAIHUIVUMJEY-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N1CC[NH+](C)CC1)C2 ZINC001278270985 806800625 /nfs/dbraw/zinc/80/06/25/806800625.db2.gz QBAZRCINSHVVNZ-TXEJJXNPSA-N 2 2 252.362 0.132 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N1CC[NH+](C)CC1)C2 ZINC001278270985 806800632 /nfs/dbraw/zinc/80/06/32/806800632.db2.gz QBAZRCINSHVVNZ-TXEJJXNPSA-N 2 2 252.362 0.132 20 0 CCADLP [NH3+]CC[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1 ZINC001238838261 806813374 /nfs/dbraw/zinc/81/33/74/806813374.db2.gz HHCRKNBECCKJKD-UHFFFAOYSA-N 2 2 283.806 0.228 20 0 CCADLP CCCC[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149571276 800278104 /nfs/dbraw/zinc/27/81/04/800278104.db2.gz WQKBXBMNPKDPIY-UHFFFAOYSA-N 2 2 252.362 0.859 20 0 CCADLP CC[N@@H+]1CCCO[C@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001150012013 800309876 /nfs/dbraw/zinc/30/98/76/800309876.db2.gz FAWUYHBPBXPSAQ-CYBMUJFWSA-N 2 2 294.399 0.580 20 0 CCADLP CC[N@H+]1CCCO[C@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001150012013 800309884 /nfs/dbraw/zinc/30/98/84/800309884.db2.gz FAWUYHBPBXPSAQ-CYBMUJFWSA-N 2 2 294.399 0.580 20 0 CCADLP CC(C)[N@@H+]1CCCO[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001150597434 800350194 /nfs/dbraw/zinc/35/01/94/800350194.db2.gz VOUQZRSXMVIASQ-CQSZACIVSA-N 2 2 294.399 0.578 20 0 CCADLP CC(C)[N@H+]1CCCO[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001150597434 800350200 /nfs/dbraw/zinc/35/02/00/800350200.db2.gz VOUQZRSXMVIASQ-CQSZACIVSA-N 2 2 294.399 0.578 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001151074479 800395225 /nfs/dbraw/zinc/39/52/25/800395225.db2.gz ZQFTVNLYKDSXDK-MWLCHTKSSA-N 2 2 281.360 0.097 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001151074479 800395231 /nfs/dbraw/zinc/39/52/31/800395231.db2.gz ZQFTVNLYKDSXDK-MWLCHTKSSA-N 2 2 281.360 0.097 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)C[NH+]2CCCC2)o1 ZINC001151100410 800399382 /nfs/dbraw/zinc/39/93/82/800399382.db2.gz CBIXWKRQMFMDJH-JTQLQIEISA-N 2 2 281.360 0.241 20 0 CCADLP Cc1nocc1C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153487534 800633930 /nfs/dbraw/zinc/63/39/30/800633930.db2.gz CSLVUNXTHLNMPD-UHFFFAOYSA-N 2 2 263.301 0.086 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]Cc1nccs1 ZINC001153487758 800633972 /nfs/dbraw/zinc/63/39/72/800633972.db2.gz NLERRSQAMPLAPH-UHFFFAOYSA-N 2 2 265.342 0.246 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]Cc1ccccc1F ZINC001153487596 800634314 /nfs/dbraw/zinc/63/43/14/800634314.db2.gz HNPNPNYZHTUXJF-UHFFFAOYSA-N 2 2 276.315 0.928 20 0 CCADLP C[C@@H]1C[C@H](C[NH2+]CCNC(=O)Cn2cc[nH+]c2)CCO1 ZINC001153496219 800635563 /nfs/dbraw/zinc/63/55/63/800635563.db2.gz WNGPCLJSDZEEOI-CHWSQXEVSA-N 2 2 280.372 0.404 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CC[C@@H]1CCCO1 ZINC001153496250 800635773 /nfs/dbraw/zinc/63/57/73/800635773.db2.gz XIJLQUCGRQWHKD-LBPRGKRZSA-N 2 2 266.345 0.158 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]C[C@H]1CCCCO1 ZINC001153500660 800637153 /nfs/dbraw/zinc/63/71/53/800637153.db2.gz UBCJPFFYTHDGMJ-GFCCVEGCSA-N 2 2 266.345 0.158 20 0 CCADLP c1[nH+]cn(-c2ncnc3c2C[NH2+]C3)c1C1CC[NH2+]CC1 ZINC001155052524 800899118 /nfs/dbraw/zinc/89/91/18/800899118.db2.gz CGTFOVNMLFYBBY-UHFFFAOYSA-N 3 2 270.340 0.733 20 0 CCADLP O=S1(=O)CC[C@@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC001155055547 800900096 /nfs/dbraw/zinc/90/00/96/800900096.db2.gz ZBLMRCDGLMAZKH-LLVKDONJSA-N 2 2 296.396 0.090 20 0 CCADLP C[N@@H+]1CCO[C@H](CNc2[nH+]ccc3c2NC(=O)CO3)C1 ZINC001155197367 800930158 /nfs/dbraw/zinc/93/01/58/800930158.db2.gz TUZJVRJPEKWMEF-SECBINFHSA-N 2 2 278.312 0.155 20 0 CCADLP C[N@H+]1CCO[C@H](CNc2[nH+]ccc3c2NC(=O)CO3)C1 ZINC001155197367 800930160 /nfs/dbraw/zinc/93/01/60/800930160.db2.gz TUZJVRJPEKWMEF-SECBINFHSA-N 2 2 278.312 0.155 20 0 CCADLP Cc1nc(N(C)C)nc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)[nH+]1 ZINC001155527012 801000551 /nfs/dbraw/zinc/00/05/51/801000551.db2.gz IJCPDRKXKNSRTR-UTUOFQBUSA-N 2 2 292.387 0.282 20 0 CCADLP CC(C)CCOC(=O)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239334702 806887256 /nfs/dbraw/zinc/88/72/56/806887256.db2.gz LLSSOUOJWRSHIH-UHFFFAOYSA-N 2 2 286.420 0.254 20 0 CCADLP CC[C@H](C)OC(=O)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239335017 806888324 /nfs/dbraw/zinc/88/83/24/806888324.db2.gz XSQUCMPDNWSDLH-LBPRGKRZSA-N 2 2 272.393 0.006 20 0 CCADLP Cc1cnc(C[NH2+]CCCNC(=O)CCc2[nH]cc[nH+]2)o1 ZINC001157257552 801334025 /nfs/dbraw/zinc/33/40/25/801334025.db2.gz UAPONKHHQFSKHK-UHFFFAOYSA-N 2 2 291.355 0.935 20 0 CCADLP Cc1cc(N(C(N)=[NH2+])C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)n[nH]1 ZINC001157439298 801381260 /nfs/dbraw/zinc/38/12/60/801381260.db2.gz DFKRNONVVFDBSO-JTQLQIEISA-N 3 2 295.391 0.004 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCc2cnccc2C1 ZINC001157566968 801423052 /nfs/dbraw/zinc/42/30/52/801423052.db2.gz HOIFQKFHOQJKCO-AWEZNQCLSA-N 2 2 285.351 0.270 20 0 CCADLP C[C@@H]1CC[C@H](CO)CN1C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001157855802 801503271 /nfs/dbraw/zinc/50/32/71/801503271.db2.gz PZSBOVALJXHMAY-TYNCELHUSA-N 2 2 291.395 0.878 20 0 CCADLP COc1nc(Cl)cc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001157910345 801517403 /nfs/dbraw/zinc/51/74/03/801517403.db2.gz DXJKHFUTQIMDLE-UHFFFAOYSA-N 2 2 284.751 0.733 20 0 CCADLP Cc1cc2ncnc(NC(=[NH2+])N3CC[NH+](C)CC3)c2[nH]1 ZINC001157914994 801518124 /nfs/dbraw/zinc/51/81/24/801518124.db2.gz JLIAFJAHPQQTSE-UHFFFAOYSA-N 2 2 273.344 0.860 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2nc(Cl)nc(Cl)n2)CC1 ZINC001157914905 801518781 /nfs/dbraw/zinc/51/87/81/801518781.db2.gz OUSODEPDTVMBHZ-UHFFFAOYSA-N 2 2 290.158 0.772 20 0 CCADLP COc1cc(NC(=[NH2+])N2CC[NH+](C)CC2)nc(OC)c1 ZINC001157915006 801519128 /nfs/dbraw/zinc/51/91/28/801519128.db2.gz JSIWBZACUWRBQO-UHFFFAOYSA-N 2 2 279.344 0.693 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ncnc3c2CCCC3)CC1 ZINC001157915193 801520694 /nfs/dbraw/zinc/52/06/94/801520694.db2.gz UXJYVRHXRJCGOW-UHFFFAOYSA-N 2 2 274.372 0.949 20 0 CCADLP CCOc1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)nn1 ZINC001157915166 801520711 /nfs/dbraw/zinc/52/07/11/801520711.db2.gz SDQDBHYZBPOYAQ-UHFFFAOYSA-N 2 2 264.333 0.469 20 0 CCADLP Cn1ccc2c1ncnc2NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001157915174 801521319 /nfs/dbraw/zinc/52/13/19/801521319.db2.gz SWRZYMVNSHBVJE-UHFFFAOYSA-N 2 2 273.344 0.562 20 0 CCADLP COC[C@H]1CCCCN1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001157922366 801523165 /nfs/dbraw/zinc/52/31/65/801523165.db2.gz MHEIEYDQMUMUQC-LLVKDONJSA-N 2 2 255.362 0.095 20 0 CCADLP Cc1c[nH]c2ncnc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)c12 ZINC001158203225 801591489 /nfs/dbraw/zinc/59/14/89/801591489.db2.gz GPKVYCQBPCHHHV-SECBINFHSA-N 2 2 272.312 0.314 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncnc2ncccc21 ZINC001158204918 801592580 /nfs/dbraw/zinc/59/25/80/801592580.db2.gz VONMQZOWWQOLNY-SECBINFHSA-N 2 2 270.296 0.073 20 0 CCADLP COc1cc(Cl)cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158204991 801592886 /nfs/dbraw/zinc/59/28/86/801592886.db2.gz ZYYACGFOBGYZGH-SECBINFHSA-N 2 2 282.731 0.791 20 0 CCADLP Nc1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c(Cl)c1 ZINC001158204598 801593169 /nfs/dbraw/zinc/59/31/69/801593169.db2.gz RTSVDYUUXPJYLR-MRVPVSSYSA-N 2 2 267.720 0.365 20 0 CCADLP COc1nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ccc1Cl ZINC001158206158 801594192 /nfs/dbraw/zinc/59/41/92/801594192.db2.gz AOYXDMRORPXIPP-MRVPVSSYSA-N 2 2 282.731 0.791 20 0 CCADLP COc1ccnc(Cl)c1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158209204 801595739 /nfs/dbraw/zinc/59/57/39/801595739.db2.gz KXUBKGLZHAQNKB-MRVPVSSYSA-N 2 2 282.731 0.791 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc(C2CCC2)ncn1 ZINC001158209116 801596191 /nfs/dbraw/zinc/59/61/91/801596191.db2.gz GQNMKUGPBZJGLB-LLVKDONJSA-N 2 2 273.340 0.792 20 0 CCADLP Cc1cnc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)cn1 ZINC001158258260 801606851 /nfs/dbraw/zinc/60/68/51/801606851.db2.gz VDSJEBLFNIUVEL-LBPRGKRZSA-N 2 2 261.373 0.787 20 0 CCADLP Cc1cnc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)cn1 ZINC001158258260 801606854 /nfs/dbraw/zinc/60/68/54/801606854.db2.gz VDSJEBLFNIUVEL-LBPRGKRZSA-N 2 2 261.373 0.787 20 0 CCADLP Cc1c[nH+]c(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)cc1N ZINC001158271295 801609943 /nfs/dbraw/zinc/60/99/43/801609943.db2.gz ZMRJKJDGWZZTDX-LBPRGKRZSA-N 3 2 275.400 0.974 20 0 CCADLP Cc1c[nH+]c(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)cc1N ZINC001158271295 801609944 /nfs/dbraw/zinc/60/99/44/801609944.db2.gz ZMRJKJDGWZZTDX-LBPRGKRZSA-N 3 2 275.400 0.974 20 0 CCADLP [NH3+][C@H]1CN(c2cccc(N3CCOCC3)[nH+]2)CC12COC2 ZINC001158766109 801703738 /nfs/dbraw/zinc/70/37/38/801703738.db2.gz RVHRLOGBZHUJTF-LBPRGKRZSA-N 2 2 290.367 0.082 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC001158804454 801707477 /nfs/dbraw/zinc/70/74/77/801707477.db2.gz QARZQKUXVMDIEG-RVMXOQNASA-N 2 2 269.389 0.291 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC001158804454 801707482 /nfs/dbraw/zinc/70/74/82/801707482.db2.gz QARZQKUXVMDIEG-RVMXOQNASA-N 2 2 269.389 0.291 20 0 CCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CC(OCc3ccccc3)C2)C1 ZINC001160490747 801950931 /nfs/dbraw/zinc/95/09/31/801950931.db2.gz GTMDRQBMYKBEBW-JSGCOSHPSA-N 2 2 275.352 0.103 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC2(CCC2)C1 ZINC001160658211 801992638 /nfs/dbraw/zinc/99/26/38/801992638.db2.gz QPNZZMRCPWSLQC-LBPRGKRZSA-N 2 2 262.357 0.693 20 0 CCADLP CC(=O)OC[C@H]([NH3+])C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001160689830 802001828 /nfs/dbraw/zinc/00/18/28/802001828.db2.gz TZLFUJTXEGZJPZ-QWRGUYRKSA-N 2 2 280.328 0.006 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC001160706254 802007724 /nfs/dbraw/zinc/00/77/24/802007724.db2.gz ZNVJEEOFPIZNQT-DTWKUNHWSA-N 2 2 292.261 0.069 20 0 CCADLP O=C(C[C@H]1CCC[NH2+]C1)N1CCc2[nH+]ccn2CC1 ZINC001160760113 802017729 /nfs/dbraw/zinc/01/77/29/802017729.db2.gz DCVBBUMBZQKUGL-GFCCVEGCSA-N 2 2 262.357 0.658 20 0 CCADLP [NH3+]C1(C(=O)N2CC[C@]3(C2)CC(F)(F)CO3)CC[NH2+]CC1 ZINC001160771911 802018921 /nfs/dbraw/zinc/01/89/21/802018921.db2.gz JCJAVBBHLPFGJP-LLVKDONJSA-N 2 2 289.326 0.094 20 0 CCADLP CN(Cc1cncs1)C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001161065092 802079113 /nfs/dbraw/zinc/07/91/13/802079113.db2.gz PMJUZLLAPNKNCO-INTQDDNPSA-N 2 2 266.370 0.051 20 0 CCADLP COC(=O)[C@@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)[C@@H]1C ZINC001161117377 802094839 /nfs/dbraw/zinc/09/48/39/802094839.db2.gz ISHAKKZUQUPNKT-JLLWLGSASA-N 2 2 294.355 0.080 20 0 CCADLP CCN(C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CC(C)C)C1C[NH+](C)C1 ZINC001161136973 802097629 /nfs/dbraw/zinc/09/76/29/802097629.db2.gz AQKDRPILZNUUJW-AAEUAGOBSA-N 2 2 298.431 0.027 20 0 CCADLP COCC[NH2+]CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001161309720 802124298 /nfs/dbraw/zinc/12/42/98/802124298.db2.gz PPVBROBFVICVNI-LBPRGKRZSA-N 2 2 280.372 0.188 20 0 CCADLP N=c1ncc(C[NH3+])cn1-c1cc(-n2cc[nH+]c2)ccn1 ZINC001161418258 802151213 /nfs/dbraw/zinc/15/12/13/802151213.db2.gz PZEOIHHTTDRKNF-UHFFFAOYSA-N 2 2 267.296 0.391 20 0 CCADLP C[C@@H](C(=O)N(C)C1CC[NH+](C)CC1)n1cc[nH+]c1 ZINC000056482189 802152820 /nfs/dbraw/zinc/15/28/20/802152820.db2.gz QWGONECORQJOMG-NSHDSACASA-N 2 2 250.346 0.997 20 0 CCADLP NC(=O)c1cc(Cl)nc(NCC[NH+]2CCC([NH3+])CC2)n1 ZINC001161867432 802233796 /nfs/dbraw/zinc/23/37/96/802233796.db2.gz HLTXCENIVPUYMP-UHFFFAOYSA-N 2 2 298.778 0.064 20 0 CCADLP CC[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2)(COC)CC1 ZINC001162628700 802380552 /nfs/dbraw/zinc/38/05/52/802380552.db2.gz CUCOYWOFKUZXBX-UHFFFAOYSA-N 2 2 294.399 0.748 20 0 CCADLP CN(C)C(=O)CN1CC[NH+]([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254522389 808254585 /nfs/dbraw/zinc/25/45/85/808254585.db2.gz FNIFAXPDBOAHIE-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP CN(C)C(=O)CN1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254522389 808254589 /nfs/dbraw/zinc/25/45/89/808254589.db2.gz FNIFAXPDBOAHIE-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP CCOC(=O)C1CCC([N@@H+]2CCO[C@H](C[NH3+])C2)CC1 ZINC001255251621 808336743 /nfs/dbraw/zinc/33/67/43/808336743.db2.gz VVBOKYNGQPQXGK-WXRRBKDZSA-N 2 2 270.373 0.768 20 0 CCADLP CCOC(=O)C1CCC([N@H+]2CCO[C@H](C[NH3+])C2)CC1 ZINC001255251621 808336751 /nfs/dbraw/zinc/33/67/51/808336751.db2.gz VVBOKYNGQPQXGK-WXRRBKDZSA-N 2 2 270.373 0.768 20 0 CCADLP Cc1nc(NC[C@H]([NH3+])C(=O)OC(C)(C)C)cc(N(C)C)[nH+]1 ZINC001162850343 802428846 /nfs/dbraw/zinc/42/88/46/802428846.db2.gz XRPIJOQWXMLOJH-JTQLQIEISA-N 2 2 295.387 0.932 20 0 CCADLP CCOC(=O)[C@@H]1CCC[C@@H](NC(=[NH2+])N2CC[NH+](C)CC2)C1 ZINC001255344515 808348217 /nfs/dbraw/zinc/34/82/17/808348217.db2.gz OOZWMOJRXAVNMV-CHWSQXEVSA-N 2 2 296.415 0.880 20 0 CCADLP O=c1[nH]cc2[nH]c([NH2+][C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)ccc1-2 ZINC001163261315 802524108 /nfs/dbraw/zinc/52/41/08/802524108.db2.gz QDSDEDFWJXUMND-MIMYLULJSA-N 2 2 258.325 0.735 20 0 CCADLP Cn1cncc1C[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163588950 802572907 /nfs/dbraw/zinc/57/29/07/802572907.db2.gz RIFWQFSKSYJSKD-UHFFFAOYSA-N 2 2 290.371 0.303 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH3+])N(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001164060669 802663341 /nfs/dbraw/zinc/66/33/41/802663341.db2.gz BIQWSJZVOOYHCL-OLZOCXBDSA-N 2 2 291.399 0.877 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Nc2ccc(C[NH+](C)C)cn2)C[NH2+]1 ZINC001164307300 802715242 /nfs/dbraw/zinc/71/52/42/802715242.db2.gz WQTABKUAUMNCAP-RYUDHWBXSA-N 2 2 278.356 0.459 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Nc2ccc(C)c(N)[nH+]2)C[NH2+]1 ZINC001164306646 802716115 /nfs/dbraw/zinc/71/61/15/802716115.db2.gz MPFSHXUQQFNRQP-IUCAKERBSA-N 2 2 250.302 0.288 20 0 CCADLP FC1(F)C[NH2+]CCN(c2ncnc3c2CC[NH2+]CC3)C1 ZINC001164489003 802748217 /nfs/dbraw/zinc/74/82/17/802748217.db2.gz VQXBBYNFGCAFAU-UHFFFAOYSA-N 2 2 283.326 0.210 20 0 CCADLP Cc1n[nH]c(C)c1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252668439 802778104 /nfs/dbraw/zinc/77/81/04/802778104.db2.gz WVRVTRHEJGMVTM-STQMWFEESA-N 2 2 264.373 0.979 20 0 CCADLP Cc1n[nH]c(C)c1C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252668439 802778108 /nfs/dbraw/zinc/77/81/08/802778108.db2.gz WVRVTRHEJGMVTM-STQMWFEESA-N 2 2 264.373 0.979 20 0 CCADLP [NH3+][C@@]12C[C@@H]1CCN(c1cccc(N3CCOCC3)[nH+]1)C2 ZINC001165328487 802823000 /nfs/dbraw/zinc/82/30/00/802823000.db2.gz WPVOMCKPMCKGLS-SWLSCSKDSA-N 2 2 274.368 0.846 20 0 CCADLP Cc1[nH+]c2c(n1-c1cc3c(nn1)CC[NH2+]C3)CC[NH2+]CC2 ZINC001165354498 802826679 /nfs/dbraw/zinc/82/66/79/802826679.db2.gz BQXGREVWLITDHL-UHFFFAOYSA-N 3 2 284.367 0.305 20 0 CCADLP c1nc(N2CCC[C@@H]3[NH2+]C[C@H]32)cc(N2CCOCC2)[nH+]1 ZINC001165387677 802833154 /nfs/dbraw/zinc/83/31/54/802833154.db2.gz QRZRWPITRBDHOI-NWDGAFQWSA-N 2 2 275.356 0.254 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[NH2+]CCCO ZINC001166969547 803002522 /nfs/dbraw/zinc/00/25/22/803002522.db2.gz XBJBVHYJGGAYJL-VXGBXAGGSA-N 2 2 280.372 0.002 20 0 CCADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H]2COC[C@H]12 ZINC001205933296 803188365 /nfs/dbraw/zinc/18/83/65/803188365.db2.gz RRRHWCGVUDSLFH-YIYPIFLZSA-N 2 2 254.374 0.458 20 0 CCADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H]2COC[C@H]12 ZINC001205933296 803188368 /nfs/dbraw/zinc/18/83/68/803188368.db2.gz RRRHWCGVUDSLFH-YIYPIFLZSA-N 2 2 254.374 0.458 20 0 CCADLP [NH3+]C[C@@]1(F)CCCC[N@H+](CC[C@@H]2C[NH2+]CCO2)C1 ZINC001206338205 803231123 /nfs/dbraw/zinc/23/11/23/803231123.db2.gz YFNNQCJCLNERHB-OLZOCXBDSA-N 3 2 259.369 0.518 20 0 CCADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](CC[C@@H]2C[NH2+]CCO2)C1 ZINC001206338205 803231126 /nfs/dbraw/zinc/23/11/26/803231126.db2.gz YFNNQCJCLNERHB-OLZOCXBDSA-N 3 2 259.369 0.518 20 0 CCADLP Cn1nc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c2ccccc21 ZINC001206464142 803246090 /nfs/dbraw/zinc/24/60/90/803246090.db2.gz LFUZKHRQEKSSQU-IINYFYTJSA-N 2 2 260.341 0.325 20 0 CCADLP Cn1nc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c2ccccc21 ZINC001206464142 803246095 /nfs/dbraw/zinc/24/60/95/803246095.db2.gz LFUZKHRQEKSSQU-IINYFYTJSA-N 2 2 260.341 0.325 20 0 CCADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206467830 803246682 /nfs/dbraw/zinc/24/66/82/803246682.db2.gz ARJARTREQIANRX-GOEBONIOSA-N 3 2 286.379 0.932 20 0 CCADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206467830 803246687 /nfs/dbraw/zinc/24/66/87/803246687.db2.gz ARJARTREQIANRX-GOEBONIOSA-N 3 2 286.379 0.932 20 0 CCADLP COc1ccc2n[nH]c(C[N@@H+]3C[C@H](O)[C@@H](C[NH3+])C3)c2c1 ZINC001206519596 803258492 /nfs/dbraw/zinc/25/84/92/803258492.db2.gz NNPKIZKSRLNKKF-XPTSAGLGSA-N 2 2 276.340 0.323 20 0 CCADLP COc1ccc2n[nH]c(C[N@H+]3C[C@H](O)[C@@H](C[NH3+])C3)c2c1 ZINC001206519596 803258498 /nfs/dbraw/zinc/25/84/98/803258498.db2.gz NNPKIZKSRLNKKF-XPTSAGLGSA-N 2 2 276.340 0.323 20 0 CCADLP COc1cc(C)c(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cn1 ZINC001206530086 803260851 /nfs/dbraw/zinc/26/08/51/803260851.db2.gz BKPZNRGUYXFEQS-JQWIXIFHSA-N 2 2 251.330 0.150 20 0 CCADLP COc1cc(C)c(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cn1 ZINC001206530086 803260853 /nfs/dbraw/zinc/26/08/53/803260853.db2.gz BKPZNRGUYXFEQS-JQWIXIFHSA-N 2 2 251.330 0.150 20 0 CCADLP Nc1ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC001206530415 803261876 /nfs/dbraw/zinc/26/18/76/803261876.db2.gz JEMNXLDEYWJAIO-CABZTGNLSA-N 2 2 255.749 0.674 20 0 CCADLP Nc1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(Cl)c1 ZINC001206530415 803261880 /nfs/dbraw/zinc/26/18/80/803261880.db2.gz JEMNXLDEYWJAIO-CABZTGNLSA-N 2 2 255.749 0.674 20 0 CCADLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(F)cn1 ZINC001207041408 803339192 /nfs/dbraw/zinc/33/91/92/803339192.db2.gz ZHZJHQMSROPXMF-UHFFFAOYSA-N 2 2 266.364 0.900 20 0 CCADLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc(F)cn1 ZINC001207041408 803339194 /nfs/dbraw/zinc/33/91/94/803339194.db2.gz ZHZJHQMSROPXMF-UHFFFAOYSA-N 2 2 266.364 0.900 20 0 CCADLP CC(=O)N1CCC(C[NH+]2CC3(C2)CC[N@@H+](C)C3)CC1 ZINC001276505050 803342584 /nfs/dbraw/zinc/34/25/84/803342584.db2.gz UFOKGMPVMTVNRP-UHFFFAOYSA-N 2 2 265.401 0.882 20 0 CCADLP CC(=O)N1CCC(C[NH+]2CC3(C2)CC[N@H+](C)C3)CC1 ZINC001276505050 803342590 /nfs/dbraw/zinc/34/25/90/803342590.db2.gz UFOKGMPVMTVNRP-UHFFFAOYSA-N 2 2 265.401 0.882 20 0 CCADLP CNC(=O)N[C@H]1CCC[N@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207284953 803377980 /nfs/dbraw/zinc/37/79/80/803377980.db2.gz VULIJDMIZPXLLA-LBPRGKRZSA-N 2 2 270.421 0.968 20 0 CCADLP CNC(=O)N[C@H]1CCC[N@@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207284953 803377982 /nfs/dbraw/zinc/37/79/82/803377982.db2.gz VULIJDMIZPXLLA-LBPRGKRZSA-N 2 2 270.421 0.968 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001208061667 803484204 /nfs/dbraw/zinc/48/42/04/803484204.db2.gz LIQYYWSTWAMEFM-FRRDWIJNSA-N 2 2 294.399 0.170 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001208061667 803484210 /nfs/dbraw/zinc/48/42/10/803484210.db2.gz LIQYYWSTWAMEFM-FRRDWIJNSA-N 2 2 294.399 0.170 20 0 CCADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3cccnn3)CC2)C1 ZINC001208607992 803529320 /nfs/dbraw/zinc/52/93/20/803529320.db2.gz DXJIUCWVCICJFH-CQSZACIVSA-N 2 2 275.400 0.940 20 0 CCADLP C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3cccnn3)CC2)C1 ZINC001208607992 803529324 /nfs/dbraw/zinc/52/93/24/803529324.db2.gz DXJIUCWVCICJFH-CQSZACIVSA-N 2 2 275.400 0.940 20 0 CCADLP COC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209835989 803631899 /nfs/dbraw/zinc/63/18/99/803631899.db2.gz HIMRXZTZCPTRNP-NWDGAFQWSA-N 2 2 280.372 0.568 20 0 CCADLP CO[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213399892 803692599 /nfs/dbraw/zinc/69/25/99/803692599.db2.gz PQKKZVSAYVCRDM-JHJVBQTASA-N 2 2 289.395 0.358 20 0 CCADLP CO[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001213399892 803692601 /nfs/dbraw/zinc/69/26/01/803692601.db2.gz PQKKZVSAYVCRDM-JHJVBQTASA-N 2 2 289.395 0.358 20 0 CCADLP CC(C)OCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001217011089 803863169 /nfs/dbraw/zinc/86/31/69/803863169.db2.gz XNSFTPQKNUPNBP-ZIAGYGMSSA-N 2 2 294.399 0.745 20 0 CCADLP C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001217005709 803863422 /nfs/dbraw/zinc/86/34/22/803863422.db2.gz PGWNOHFBRITQKB-MGPQQGTHSA-N 2 2 294.399 0.481 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ncc(C(F)(F)F)cn2)C1 ZINC001218528526 803989467 /nfs/dbraw/zinc/98/94/67/803989467.db2.gz DCSDZXUOYSJYGO-RQJHMYQMSA-N 2 2 275.234 0.123 20 0 CCADLP Cc1nonc1NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001218563908 804009907 /nfs/dbraw/zinc/00/99/07/804009907.db2.gz STJVWNZGZZGXNE-SNVBAGLBSA-N 2 2 261.285 0.589 20 0 CCADLP CCOC(=O)c1ccncc1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218572627 804014749 /nfs/dbraw/zinc/01/47/49/804014749.db2.gz YEJKIADIBIPUMT-UHFFFAOYSA-N 2 2 292.339 0.278 20 0 CCADLP Cc1nc2ccccn2c1NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001218590876 804023794 /nfs/dbraw/zinc/02/37/94/804023794.db2.gz WPNPYBRMPNAQTN-LBPRGKRZSA-N 2 2 298.350 0.885 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(OCC2CCC2)nc1 ZINC001218592300 804023915 /nfs/dbraw/zinc/02/39/15/804023915.db2.gz URCNTNHZSKMPDJ-STQMWFEESA-N 2 2 290.367 0.746 20 0 CCADLP COC(=O)c1ccnc(Cl)c1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218593078 804026345 /nfs/dbraw/zinc/02/63/45/804026345.db2.gz OAHFMIGVBJDNOJ-YUMQZZPRSA-N 2 2 298.730 0.007 20 0 CCADLP Cc1cc(C)n2nc(NC(=O)C3([NH3+])CC[NH2+]CC3)cc2n1 ZINC001218627132 804045202 /nfs/dbraw/zinc/04/52/02/804045202.db2.gz BLKCCGIRUHQMGB-UHFFFAOYSA-N 2 2 288.355 0.366 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1nccc2cnccc21 ZINC001218637948 804052469 /nfs/dbraw/zinc/05/24/69/804052469.db2.gz UCGCRNWFJGQHOI-ZDUSSCGKSA-N 2 2 296.334 0.872 20 0 CCADLP CCOC(=O)c1cc(NC(=O)C[NH2+]C2CC[NH2+]CC2)c[nH]1 ZINC001218650225 804060623 /nfs/dbraw/zinc/06/06/23/804060623.db2.gz VOYATTRAFRSKKZ-UHFFFAOYSA-N 2 2 294.355 0.472 20 0 CCADLP COc1nc(Cl)ccc1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218674307 804076333 /nfs/dbraw/zinc/07/63/33/804076333.db2.gz YKVYTHIEHQVUQY-MRVPVSSYSA-N 2 2 295.730 0.975 20 0 CCADLP Cc1nnc2cc(NC(=O)[C@@H]([NH3+])Cc3c[nH+]cn3C)ccn12 ZINC001218700389 804086437 /nfs/dbraw/zinc/08/64/37/804086437.db2.gz XZQKJJPUBRKYLE-LBPRGKRZSA-N 2 2 299.338 0.280 20 0 CCADLP CCc1cc2ncc(NC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)cn2n1 ZINC001218733546 804099937 /nfs/dbraw/zinc/09/99/37/804099937.db2.gz GSMRTEAGOWBQNC-LBPRGKRZSA-N 2 2 299.338 0.523 20 0 CCADLP Cc1cnn(-c2ccc(C)cc2)c1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218749380 804109553 /nfs/dbraw/zinc/10/95/53/804109553.db2.gz BZJGHLAIEZITHA-KBPBESRZSA-N 2 2 299.378 0.974 20 0 CCADLP COc1cc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc(OC)c1 ZINC001218811071 804118939 /nfs/dbraw/zinc/11/89/39/804118939.db2.gz ZVDAYVATUSYZNB-NSHDSACASA-N 2 2 253.302 0.318 20 0 CCADLP Cc1cncnc1NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001218792957 804122807 /nfs/dbraw/zinc/12/28/07/804122807.db2.gz SVGWRYDQUTUZBP-LBPRGKRZSA-N 2 2 271.324 0.996 20 0 CCADLP Cc1ccc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c2n[nH]cc21 ZINC001218830489 804135429 /nfs/dbraw/zinc/13/54/29/804135429.db2.gz VKWUXOXJQDCGDT-KCJUWKMLSA-N 2 2 259.313 0.499 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC001218835273 804137096 /nfs/dbraw/zinc/13/70/96/804137096.db2.gz AXTDFDOJQFJTAR-UHFFFAOYSA-N 2 2 289.339 0.549 20 0 CCADLP Cc1cc2c(cccc2NC(=O)[C@@H]([NH3+])CC[NH3+])nn1 ZINC001218860016 804140735 /nfs/dbraw/zinc/14/07/35/804140735.db2.gz SDOAPZQEDRFIOL-JTQLQIEISA-N 2 2 259.313 0.553 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc2nccnc21 ZINC001218910084 804154317 /nfs/dbraw/zinc/15/43/17/804154317.db2.gz DMWSSXDFXLGOQL-SNVBAGLBSA-N 2 2 282.307 0.861 20 0 CCADLP CC(=O)c1cccc(O)c1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218994563 804178625 /nfs/dbraw/zinc/17/86/25/804178625.db2.gz LIRFLZPBXKAKHL-UHFFFAOYSA-N 2 2 291.351 0.875 20 0 CCADLP CN1c2cc(NC(=O)[C@@H]([NH3+])CC[NH3+])ccc2C(C)(C)C1=O ZINC001219329284 804272955 /nfs/dbraw/zinc/27/29/55/804272955.db2.gz WCGVMRHJMUUKMS-NSHDSACASA-N 2 2 290.367 0.555 20 0 CCADLP COC(=O)[C@@H]1CCc2cc(NC(=O)[C@@H]([NH3+])CC[NH3+])ccc21 ZINC001219425043 804305331 /nfs/dbraw/zinc/30/53/31/804305331.db2.gz BJLWJADDNCWFGQ-OLZOCXBDSA-N 2 2 291.351 0.504 20 0 CCADLP CC(C)C[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219531377 804339109 /nfs/dbraw/zinc/33/91/09/804339109.db2.gz RFERVRUVZIOMGB-NEPJUHHUSA-N 2 2 280.372 0.160 20 0 CCADLP CC(C)C[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219531377 804339113 /nfs/dbraw/zinc/33/91/13/804339113.db2.gz RFERVRUVZIOMGB-NEPJUHHUSA-N 2 2 280.372 0.160 20 0 CCADLP CC[NH+](CC)CCNC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001219555669 804345429 /nfs/dbraw/zinc/34/54/29/804345429.db2.gz MBTWKLHRPCWVGT-CQSZACIVSA-N 3 2 278.400 0.717 20 0 CCADLP C[C@H](NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)c1ccncc1 ZINC001219600219 804367874 /nfs/dbraw/zinc/36/78/74/804367874.db2.gz LPDLCSYRWKWUKL-JKOKRWQUSA-N 2 2 260.341 0.210 20 0 CCADLP C[C@@H](NC(=O)C1([NH3+])CC[NH2+]CC1)c1nc2ccccc2[nH]1 ZINC001219701364 804409802 /nfs/dbraw/zinc/40/98/02/804409802.db2.gz MGTLFBPXKGFGHF-SNVBAGLBSA-N 2 2 287.367 0.821 20 0 CCADLP Cn1c(CNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)cc2ccccc21 ZINC001219934975 804452158 /nfs/dbraw/zinc/45/21/58/804452158.db2.gz WDGHUMBIJCVTTC-DYVFJYSZSA-N 2 2 298.390 0.746 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc2nonc2c1 ZINC001219962741 804459663 /nfs/dbraw/zinc/45/96/63/804459663.db2.gz HQPHBCOETZZSEE-SNVBAGLBSA-N 2 2 286.295 0.132 20 0 CCADLP O=C(NC1C2CC3CC(C2)CC1C3)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219989430 804466913 /nfs/dbraw/zinc/46/69/13/804466913.db2.gz AHBZUGDUPSOPMI-CFUCXKSASA-N 2 2 289.423 0.877 20 0 CCADLP O=C(NCc1cnc2[nH]ccc2c1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220012953 804471781 /nfs/dbraw/zinc/47/17/81/804471781.db2.gz FDHBANBZYHQJOR-DOMZBBRYSA-N 2 2 285.351 0.131 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccncc1F ZINC001220036553 804479888 /nfs/dbraw/zinc/47/98/88/804479888.db2.gz PUVXNUKFTKKNHT-LLVKDONJSA-N 2 2 263.276 0.130 20 0 CCADLP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220061977 804490265 /nfs/dbraw/zinc/49/02/65/804490265.db2.gz HVVFVDJFKDNEFS-NHIYQJMISA-N 3 2 294.443 0.589 20 0 CCADLP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220061977 804490269 /nfs/dbraw/zinc/49/02/69/804490269.db2.gz HVVFVDJFKDNEFS-NHIYQJMISA-N 3 2 294.443 0.589 20 0 CCADLP Cc1cnc(=O)[nH]c1NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220125022 804505975 /nfs/dbraw/zinc/50/59/75/804505975.db2.gz UYPNZUAWSINATF-LLVKDONJSA-N 2 2 287.323 0.701 20 0 CCADLP CC1(C)C[C@@H](NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CCO1 ZINC001220219265 804540462 /nfs/dbraw/zinc/54/04/62/804540462.db2.gz VXIYTGUVEAIRSG-FIQHERPVSA-N 2 2 267.373 0.010 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC001220274970 804558316 /nfs/dbraw/zinc/55/83/16/804558316.db2.gz STWHWOSFVUPRKJ-AAEUAGOBSA-N 2 2 280.372 0.534 20 0 CCADLP O=C(N[C@@H]1CCCC(F)(F)C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220308808 804569008 /nfs/dbraw/zinc/56/90/08/804569008.db2.gz PNHSQLDOYHVFFW-GIPNMCIBSA-N 2 2 273.327 0.632 20 0 CCADLP Cc1cccc(C)c1CNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220350046 804581183 /nfs/dbraw/zinc/58/11/83/804581183.db2.gz JKBGGFXPAUMARC-AEGPPILISA-N 2 2 273.380 0.870 20 0 CCADLP C[C@]1(C(=O)NCC2([NH3+])CCCC2)CC(F)(F)C[NH2+]1 ZINC001220494282 804614829 /nfs/dbraw/zinc/61/48/29/804614829.db2.gz JBIMJXUMNZQAKP-SNVBAGLBSA-N 2 2 261.316 0.761 20 0 CCADLP [NH3+][C@H](CNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)c1ccccc1 ZINC001220499868 804617145 /nfs/dbraw/zinc/61/71/45/804617145.db2.gz FFORCYOSEUNXIJ-BHPKHCPMSA-N 3 2 274.368 0.024 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001220520251 804618100 /nfs/dbraw/zinc/61/81/00/804618100.db2.gz ODWWTGSEAPQYEL-GDLCADMTSA-N 2 2 292.383 0.160 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001220520251 804618103 /nfs/dbraw/zinc/61/81/03/804618103.db2.gz ODWWTGSEAPQYEL-GDLCADMTSA-N 2 2 292.383 0.160 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001220520251 804618106 /nfs/dbraw/zinc/61/81/06/804618106.db2.gz ODWWTGSEAPQYEL-GDLCADMTSA-N 2 2 292.383 0.160 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001220520251 804618111 /nfs/dbraw/zinc/61/81/11/804618111.db2.gz ODWWTGSEAPQYEL-GDLCADMTSA-N 2 2 292.383 0.160 20 0 CCADLP O=C(N[C@@H]1COCc2ccccc21)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220658802 804643620 /nfs/dbraw/zinc/64/36/20/804643620.db2.gz XREONGPRKCEJSB-BJJXKVORSA-N 2 2 287.363 0.326 20 0 CCADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)C1([NH3+])CC[NH2+]CC1)C2 ZINC001220716985 804655031 /nfs/dbraw/zinc/65/50/31/804655031.db2.gz WKTHGXXVHUDBFK-XYYAHUGASA-N 3 2 280.416 0.199 20 0 CCADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)C1([NH3+])CC[NH2+]CC1)C2 ZINC001220716985 804655038 /nfs/dbraw/zinc/65/50/38/804655038.db2.gz WKTHGXXVHUDBFK-XYYAHUGASA-N 3 2 280.416 0.199 20 0 CCADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)C2 ZINC001220716429 804655084 /nfs/dbraw/zinc/65/50/84/804655084.db2.gz HNGSXYIIHCWBLL-RUZUBIRVSA-N 3 2 291.399 0.411 20 0 CCADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)C2 ZINC001220716429 804655088 /nfs/dbraw/zinc/65/50/88/804655088.db2.gz HNGSXYIIHCWBLL-RUZUBIRVSA-N 3 2 291.399 0.411 20 0 CCADLP C[C@H](CNC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)CC(C)(C)CC[NH3+] ZINC001220763546 804661785 /nfs/dbraw/zinc/66/17/85/804661785.db2.gz FZWCOUNZWQTVST-WCQYABFASA-N 3 2 295.431 0.797 20 0 CCADLP C[C@@H](CNC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)CC(C)(C)CC[NH3+] ZINC001220763545 804661824 /nfs/dbraw/zinc/66/18/24/804661824.db2.gz FZWCOUNZWQTVST-DGCLKSJQSA-N 3 2 295.431 0.797 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)CC(C)(C)CC[NH3+] ZINC001220766505 804663614 /nfs/dbraw/zinc/66/36/14/804663614.db2.gz UAFZHVADEIISIK-UTUOFQBUSA-N 3 2 270.421 0.193 20 0 CCADLP CC(C)C[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220888236 804692055 /nfs/dbraw/zinc/69/20/55/804692055.db2.gz HLEWXUTYOTVYSN-KGLIPLIRSA-N 2 2 294.399 0.170 20 0 CCADLP CC(C)C[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220888236 804692060 /nfs/dbraw/zinc/69/20/60/804692060.db2.gz HLEWXUTYOTVYSN-KGLIPLIRSA-N 2 2 294.399 0.170 20 0 CCADLP CC1(C)C[C@H](CNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CCO1 ZINC001220952880 804706786 /nfs/dbraw/zinc/70/67/86/804706786.db2.gz GZYNDEGHLSFEIW-XUJVJEKNSA-N 2 2 281.400 0.259 20 0 CCADLP CC(C)CC1(NC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CCOCC1 ZINC001221000925 804715545 /nfs/dbraw/zinc/71/55/45/804715545.db2.gz HUBOEZLLXBRKCJ-BBRMVZONSA-N 2 2 295.427 0.649 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NCCc2nncs2)cc1 ZINC001221015847 804720397 /nfs/dbraw/zinc/72/03/97/804720397.db2.gz QDVBUQGUHMKGMA-NSHDSACASA-N 2 2 291.380 0.469 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC1(Cc2ccc(O)cc2)CC1 ZINC001221329499 804778914 /nfs/dbraw/zinc/77/89/14/804778914.db2.gz KSAXZZZGHVCZBD-STQMWFEESA-N 2 2 275.352 0.130 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1CCc2c1c(F)ccc2F ZINC001221363409 804787031 /nfs/dbraw/zinc/78/70/31/804787031.db2.gz MSWNMUKKIONZSW-UWJYBYFXSA-N 2 2 281.306 0.615 20 0 CCADLP COCC[NH2+][C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001222091902 804865155 /nfs/dbraw/zinc/86/51/55/804865155.db2.gz CJOCLZALHWMLFR-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP Oc1cccnc1CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222497584 804906909 /nfs/dbraw/zinc/90/69/09/804906909.db2.gz QJUOPSMXEIGLGR-AAEUAGOBSA-N 2 2 262.357 0.313 20 0 CCADLP COCC[NH+]1CCC(CNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001223043576 804949880 /nfs/dbraw/zinc/94/98/80/804949880.db2.gz QNLMJYWEKRXTTC-UHFFFAOYSA-N 2 2 294.399 0.817 20 0 CCADLP Cc1occc1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000321400476 805020955 /nfs/dbraw/zinc/02/09/55/805020955.db2.gz SFPNWHQWOVNWEX-UHFFFAOYSA-N 2 2 251.330 0.741 20 0 CCADLP CO[C@H](C)C[NH+]1CCC(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001227715338 805383501 /nfs/dbraw/zinc/38/35/01/805383501.db2.gz UXKRUEBRBOCOIC-GFCCVEGCSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@H](C)C[NH+]1CCC(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001227715338 805383511 /nfs/dbraw/zinc/38/35/11/805383511.db2.gz UXKRUEBRBOCOIC-GFCCVEGCSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@@H](O)C[NH+]1CCC(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001228534929 805454309 /nfs/dbraw/zinc/45/43/09/805454309.db2.gz PPHODJQGKKIVCV-GFCCVEGCSA-N 2 2 280.372 0.235 20 0 CCADLP O[C@]1(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)CCC[NH2+]C1 ZINC001246059692 807137090 /nfs/dbraw/zinc/13/70/90/807137090.db2.gz LVASUMMWZNOZLF-HZSPNIEDSA-N 3 2 253.390 0.175 20 0 CCADLP O[C@]1(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)CCC[NH2+]C1 ZINC001246059692 807137094 /nfs/dbraw/zinc/13/70/94/807137094.db2.gz LVASUMMWZNOZLF-HZSPNIEDSA-N 3 2 253.390 0.175 20 0 CCADLP F[C@H]1C[NH2+]CC[C@H]1[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001246088689 807149201 /nfs/dbraw/zinc/14/92/01/807149201.db2.gz WSYSPPAQCNEHIB-PFSRBDOWSA-N 3 2 285.407 0.919 20 0 CCADLP CCOC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)CO1 ZINC001246125756 807159639 /nfs/dbraw/zinc/15/96/39/807159639.db2.gz GSPUCQJWAPZHRX-QJPTWQEYSA-N 2 2 256.346 0.439 20 0 CCADLP O=C(c1ccco1)N1C[C@@H]2C[C@]2([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC001246156739 807171118 /nfs/dbraw/zinc/17/11/18/807171118.db2.gz LGDYISOGVBITKI-ZOWXZIJZSA-N 2 2 275.352 0.836 20 0 CCADLP C[NH2+]CC[C@@H](C)[NH2+][C@@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246160885 807172088 /nfs/dbraw/zinc/17/20/88/807172088.db2.gz PTPKVVCISACJID-MGPQQGTHSA-N 3 2 255.406 0.875 20 0 CCADLP CCCC[N@H+](CC)CC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246159755 807172611 /nfs/dbraw/zinc/17/26/11/807172611.db2.gz CCMOATJQDYGGML-AWEZNQCLSA-N 3 2 268.449 0.792 20 0 CCADLP CCCC[N@@H+](CC)CC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246159755 807172617 /nfs/dbraw/zinc/17/26/17/807172617.db2.gz CCMOATJQDYGGML-AWEZNQCLSA-N 3 2 268.449 0.792 20 0 CCADLP COC(=O)[C@@H]1CC[C@H](n2ccc3cc(C[NH3+])cnc32)C[NH2+]1 ZINC001246188602 807181504 /nfs/dbraw/zinc/18/15/04/807181504.db2.gz JNVCVIVVGCEJTN-STQMWFEESA-N 2 2 288.351 0.961 20 0 CCADLP CCCCOC(=O)[C@H](C)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246194047 807182589 /nfs/dbraw/zinc/18/25/89/807182589.db2.gz QITUAIHMKAFQQY-NWDGAFQWSA-N 2 2 269.389 0.402 20 0 CCADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246257000 807199429 /nfs/dbraw/zinc/19/94/29/807199429.db2.gz RAUSELASHAYGCS-HUUCEWRRSA-N 3 2 280.460 0.790 20 0 CCADLP CCOC(=O)[C@H](CC1CCC1)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246285192 807206891 /nfs/dbraw/zinc/20/68/91/807206891.db2.gz FTQDIVOPDVJJBH-KBPBESRZSA-N 2 2 295.427 0.792 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](NC[C@@H]([NH3+])c2ccccc2)C[NH2+]1 ZINC001246295961 807210396 /nfs/dbraw/zinc/21/03/96/807210396.db2.gz ZNDKLZLMLVPYQU-UPJWGTAASA-N 2 2 263.341 0.180 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@@H]1[NH2+][C@H]1CCc2cccc(F)c2C1 ZINC001246302339 807213826 /nfs/dbraw/zinc/21/38/26/807213826.db2.gz DARPDOLJFDNNPQ-HUBLWGQQSA-N 2 2 264.344 0.853 20 0 CCADLP OC[C@H]1C[NH2+]C[C@@H]1[NH2+]C1Cc2cc(F)c(F)cc2C1 ZINC001246306757 807216816 /nfs/dbraw/zinc/21/68/16/807216816.db2.gz LHCYUHVIJCTYNZ-YGRLFVJLSA-N 2 2 268.307 0.602 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+]CCOc2ccccc2C(N)=O)C[NH2+]1 ZINC001246323933 807221208 /nfs/dbraw/zinc/22/12/08/807221208.db2.gz GAKYAUSTNKAEAF-NEPJUHHUSA-N 2 2 277.368 0.894 20 0 CCADLP O=C(c1cccnc1)N1CC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC001246362598 807235139 /nfs/dbraw/zinc/23/51/39/807235139.db2.gz BCOJRSBZXDRQIR-UONOGXRCSA-N 2 2 274.368 0.638 20 0 CCADLP COC(=O)[C@H](CCC[NH3+])[NH2+][C@H]1CCN(C2CC2)C(=O)C1 ZINC001246401985 807243295 /nfs/dbraw/zinc/24/32/95/807243295.db2.gz RGVQWBTUDNDVRW-JQWIXIFHSA-N 2 2 283.372 0.010 20 0 CCADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246470647 807259093 /nfs/dbraw/zinc/25/90/93/807259093.db2.gz QPDQXPJIXGYION-SCRDCRAPSA-N 2 2 294.399 0.624 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@H]2CCCC[C@H]2[NH3+])C[NH2+]1 ZINC001246477983 807260707 /nfs/dbraw/zinc/26/07/07/807260707.db2.gz LAEIGQMLSPSIGQ-RNJOBUHISA-N 2 2 283.416 0.918 20 0 CCADLP COC(=O)c1ccc([C@H](CO)[NH2+]C2CC[NH2+]CC2)cc1 ZINC001246498518 807266291 /nfs/dbraw/zinc/26/62/91/807266291.db2.gz SWAIIYOQMJHAAA-AWEZNQCLSA-N 2 2 278.352 0.848 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Nc2ccc([C@@H](C[NH3+])CO)cc2)C[NH2+]1 ZINC001246499714 807266486 /nfs/dbraw/zinc/26/64/86/807266486.db2.gz DDVXCDFJBFDRMZ-YUTCNCBUSA-N 2 2 293.367 0.037 20 0 CCADLP COC(=O)[C@H]([NH3+])Cc1cn(C2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC001246514860 807270158 /nfs/dbraw/zinc/27/01/58/807270158.db2.gz ADYGNGDHRORNTR-CFSYFYNJSA-N 2 2 278.356 0.381 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC[NH2+]CC2)CO1 ZINC001246525969 807274353 /nfs/dbraw/zinc/27/43/53/807274353.db2.gz UPYUGWBFRKSBKN-RYUDHWBXSA-N 2 2 256.346 0.392 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CCC[NH2+]CC2)CO1 ZINC001246525969 807274360 /nfs/dbraw/zinc/27/43/60/807274360.db2.gz UPYUGWBFRKSBKN-RYUDHWBXSA-N 2 2 256.346 0.392 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N2CC[NH+](C3CCC3)CC2)C[NH2+]1 ZINC001246544848 807278445 /nfs/dbraw/zinc/27/84/45/807278445.db2.gz CRFWTHGOYSPNHN-OLZOCXBDSA-N 2 2 267.373 0.060 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+]([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C[C@H]1O ZINC001246585217 807305181 /nfs/dbraw/zinc/30/51/81/807305181.db2.gz NFVMQQWIBVECOG-LUKYLMHMSA-N 3 2 289.423 0.601 20 0 CCADLP [NH3+]C[C@H]1C[N@H+]([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C[C@H]1O ZINC001246585217 807305188 /nfs/dbraw/zinc/30/51/88/807305188.db2.gz NFVMQQWIBVECOG-LUKYLMHMSA-N 3 2 289.423 0.601 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@H]1O ZINC001246585997 807308467 /nfs/dbraw/zinc/30/84/67/807308467.db2.gz PIBMXXFLYIYDKU-SRXPKIRMSA-N 3 2 279.428 0.643 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@H]1O ZINC001246585997 807308474 /nfs/dbraw/zinc/30/84/74/807308474.db2.gz PIBMXXFLYIYDKU-SRXPKIRMSA-N 3 2 279.428 0.643 20 0 CCADLP [NH3+]C[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C[C@H]1O ZINC001246585997 807308481 /nfs/dbraw/zinc/30/84/81/807308481.db2.gz PIBMXXFLYIYDKU-SRXPKIRMSA-N 3 2 279.428 0.643 20 0 CCADLP [NH3+]C[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@H]1O ZINC001246585997 807308486 /nfs/dbraw/zinc/30/84/86/807308486.db2.gz PIBMXXFLYIYDKU-SRXPKIRMSA-N 3 2 279.428 0.643 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H](N2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)C1 ZINC001246618079 807326643 /nfs/dbraw/zinc/32/66/43/807326643.db2.gz JTNMRTXMAGXKMV-KBXIAJHMSA-N 2 2 295.427 0.744 20 0 CCADLP Cc1noc([C@]23COC[C@H]2C[N@@H+]([C@H]2CC[C@@H](C)[NH2+]C2)C3)n1 ZINC001246725787 807366429 /nfs/dbraw/zinc/36/64/29/807366429.db2.gz NFKYFYXXLJCFGW-IKVITTDRSA-N 2 2 292.383 0.718 20 0 CCADLP Cc1noc([C@]23COC[C@H]2C[N@H+]([C@H]2CC[C@@H](C)[NH2+]C2)C3)n1 ZINC001246725787 807366437 /nfs/dbraw/zinc/36/64/37/807366437.db2.gz NFKYFYXXLJCFGW-IKVITTDRSA-N 2 2 292.383 0.718 20 0 CCADLP CC[N@@H+]1CCO[C@@H]2C[NH+](C3CC[NH2+]CC3)C[C@@H]2C1 ZINC001246757170 807373041 /nfs/dbraw/zinc/37/30/41/807373041.db2.gz YMVSEHNJKBJWSF-GXTWGEPZSA-N 3 2 253.390 0.391 20 0 CCADLP CC[N@H+]1CCO[C@@H]2C[NH+](C3CC[NH2+]CC3)C[C@@H]2C1 ZINC001246757170 807373048 /nfs/dbraw/zinc/37/30/48/807373048.db2.gz YMVSEHNJKBJWSF-GXTWGEPZSA-N 3 2 253.390 0.391 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@@H+](C3CC[NH2+]CC3)C[C@@H]2C1 ZINC001246757170 807373056 /nfs/dbraw/zinc/37/30/56/807373056.db2.gz YMVSEHNJKBJWSF-GXTWGEPZSA-N 3 2 253.390 0.391 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@H+](C3CC[NH2+]CC3)C[C@@H]2C1 ZINC001246757170 807373064 /nfs/dbraw/zinc/37/30/64/807373064.db2.gz YMVSEHNJKBJWSF-GXTWGEPZSA-N 3 2 253.390 0.391 20 0 CCADLP C[NH2+]Cc1ccc(N[C@H]2C[NH2+][C@H](C(=O)OC)C2)cc1 ZINC001246777107 807374875 /nfs/dbraw/zinc/37/48/75/807374875.db2.gz JRASASGOOVCPSD-OLZOCXBDSA-N 2 2 263.341 0.721 20 0 CCADLP C1CC1c1nnc2n1CC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246795857 807382534 /nfs/dbraw/zinc/38/25/34/807382534.db2.gz HVVTZXAXYGRERP-GFCCVEGCSA-N 2 2 288.399 0.065 20 0 CCADLP C1CC1c1nnc2n1CC[N@@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246795857 807382544 /nfs/dbraw/zinc/38/25/44/807382544.db2.gz HVVTZXAXYGRERP-GFCCVEGCSA-N 2 2 288.399 0.065 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1=O ZINC001246838117 807401497 /nfs/dbraw/zinc/40/14/97/807401497.db2.gz AZKLRIPJVAKWNH-YIONKMFJSA-N 3 2 294.443 0.365 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1=O ZINC001246838117 807401501 /nfs/dbraw/zinc/40/15/01/807401501.db2.gz AZKLRIPJVAKWNH-YIONKMFJSA-N 3 2 294.443 0.365 20 0 CCADLP O=C(COC1CC[NH+]([C@@H]2CCC[NH2+]C2)CC1)NC1CC1 ZINC001246845083 807403540 /nfs/dbraw/zinc/40/35/40/807403540.db2.gz NSYWZDVXGPHYKO-CYBMUJFWSA-N 2 2 281.400 0.498 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)CN1 ZINC001246922727 807429235 /nfs/dbraw/zinc/42/92/35/807429235.db2.gz XUMMAWXCXUPDPY-ZOBORPQBSA-N 2 2 281.400 0.306 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)CN1 ZINC001246922727 807429239 /nfs/dbraw/zinc/42/92/39/807429239.db2.gz XUMMAWXCXUPDPY-ZOBORPQBSA-N 2 2 281.400 0.306 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH+]2C[C@H]3CCC[N@H+](C)[C@@H]3C2)CN1 ZINC001246922727 807429242 /nfs/dbraw/zinc/42/92/42/807429242.db2.gz XUMMAWXCXUPDPY-ZOBORPQBSA-N 2 2 281.400 0.306 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH+]2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)CN1 ZINC001246922727 807429246 /nfs/dbraw/zinc/42/92/46/807429246.db2.gz XUMMAWXCXUPDPY-ZOBORPQBSA-N 2 2 281.400 0.306 20 0 CCADLP COCC[N@H+]([C@@H]1CSC2(C[NH2+]C2)C1)[C@H]1CCC[NH2+]C1 ZINC001246927638 807429960 /nfs/dbraw/zinc/42/99/60/807429960.db2.gz HOTDFXVZBXCCGI-STQMWFEESA-N 3 2 285.457 0.534 20 0 CCADLP COCC[N@@H+]([C@@H]1CSC2(C[NH2+]C2)C1)[C@H]1CCC[NH2+]C1 ZINC001246927638 807429963 /nfs/dbraw/zinc/42/99/63/807429963.db2.gz HOTDFXVZBXCCGI-STQMWFEESA-N 3 2 285.457 0.534 20 0 CCADLP C[C@@H]1CN(C2C[C@@H]3COC[C@H](C2)[N@@H+]3C)C[C@H](C)[NH2+]1 ZINC001246961546 807441674 /nfs/dbraw/zinc/44/16/74/807441674.db2.gz BDRIUXUNJQCUAQ-LSPKCERGSA-N 2 2 253.390 0.530 20 0 CCADLP C[C@@H]1CN(C2C[C@@H]3COC[C@H](C2)[N@H+]3C)C[C@H](C)[NH2+]1 ZINC001246961546 807441681 /nfs/dbraw/zinc/44/16/81/807441681.db2.gz BDRIUXUNJQCUAQ-LSPKCERGSA-N 2 2 253.390 0.530 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([N@H+](C)C[C@@H]([NH3+])CC)CO1 ZINC001246974771 807445211 /nfs/dbraw/zinc/44/52/11/807445211.db2.gz QVGSZONDQMFMKU-SRVKXCTJSA-N 2 2 258.362 0.766 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([N@@H+](C)C[C@@H]([NH3+])CC)CO1 ZINC001246974771 807445213 /nfs/dbraw/zinc/44/52/13/807445213.db2.gz QVGSZONDQMFMKU-SRVKXCTJSA-N 2 2 258.362 0.766 20 0 CCADLP [NH3+]C[C@H]([NH3+])Cc1nc(-c2cncc(C(F)(F)F)c2)no1 ZINC001249129370 807544382 /nfs/dbraw/zinc/54/43/82/807544382.db2.gz NDDJMUIOUHQELF-MRVPVSSYSA-N 2 2 287.245 0.979 20 0 CCADLP COc1cccc([C@@H](O)CNC(=[NH2+])N2CC[NH+](C)CC2)c1 ZINC001250730731 807610413 /nfs/dbraw/zinc/61/04/13/807610413.db2.gz NVIRGHYOLPNUBO-AWEZNQCLSA-N 2 2 292.383 0.500 20 0 CCADLP COc1cc(NC[C@H](O)C[NH+]2CCOCC2)cc(C)[nH+]1 ZINC001251005433 807636825 /nfs/dbraw/zinc/63/68/25/807636825.db2.gz BXTOKVIZKLAFMO-ZDUSSCGKSA-N 2 2 281.356 0.504 20 0 CCADLP C[C@H](O)C[N@@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001251959742 807751762 /nfs/dbraw/zinc/75/17/62/807751762.db2.gz IFTFBQOXFZXQDQ-NSHDSACASA-N 2 2 276.344 0.109 20 0 CCADLP C[C@H](O)C[N@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001251959742 807751767 /nfs/dbraw/zinc/75/17/67/807751767.db2.gz IFTFBQOXFZXQDQ-NSHDSACASA-N 2 2 276.344 0.109 20 0 CCADLP C[C@@H](CC[NH2+][C@@H]1CCCS(=O)(=O)CC1)[NH+](C)C ZINC000697848416 815144624 /nfs/dbraw/zinc/14/46/24/815144624.db2.gz MSDBALYTEKUDAX-NWDGAFQWSA-N 2 2 262.419 0.884 20 0 CCADLP CCOC[C@H](O)C[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001252029763 807767637 /nfs/dbraw/zinc/76/76/37/807767637.db2.gz VDZOJDAFJDIBCT-CQSZACIVSA-N 2 2 256.390 0.942 20 0 CCADLP CCOC[C@H](O)C[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001252029763 807767642 /nfs/dbraw/zinc/76/76/42/807767642.db2.gz VDZOJDAFJDIBCT-CQSZACIVSA-N 2 2 256.390 0.942 20 0 CCADLP COC(=O)[C@@H](O)C[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001252412984 807826475 /nfs/dbraw/zinc/82/64/75/807826475.db2.gz ATJQKCNQOJWBED-AWEZNQCLSA-N 2 2 296.411 0.861 20 0 CCADLP COC(=O)[C@@H](O)C[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001252412984 807826481 /nfs/dbraw/zinc/82/64/81/807826481.db2.gz ATJQKCNQOJWBED-AWEZNQCLSA-N 2 2 296.411 0.861 20 0 CCADLP COC(=O)[C@H](O)C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001252425513 807838295 /nfs/dbraw/zinc/83/82/95/807838295.db2.gz KVRJRNXRDXSUBL-GFCCVEGCSA-N 2 2 258.362 0.325 20 0 CCADLP COC(=O)[C@H](O)C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001252425513 807838302 /nfs/dbraw/zinc/83/83/02/807838302.db2.gz KVRJRNXRDXSUBL-GFCCVEGCSA-N 2 2 258.362 0.325 20 0 CCADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC3(O)CCOCC3)C[C@@H]21 ZINC001252966066 807994358 /nfs/dbraw/zinc/99/43/58/807994358.db2.gz UDBFYYHPYDLUDO-OLZOCXBDSA-N 2 2 254.374 0.554 20 0 CCADLP C[N@H+]1CCC[C@@H]2C[NH+](CC3(O)CCOCC3)C[C@@H]21 ZINC001252966066 807994365 /nfs/dbraw/zinc/99/43/65/807994365.db2.gz UDBFYYHPYDLUDO-OLZOCXBDSA-N 2 2 254.374 0.554 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@H+](CC3(O)CCOCC3)C[C@@H]21 ZINC001252966066 807994374 /nfs/dbraw/zinc/99/43/74/807994374.db2.gz UDBFYYHPYDLUDO-OLZOCXBDSA-N 2 2 254.374 0.554 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC3(O)CCOCC3)C[C@@H]21 ZINC001252966066 807994375 /nfs/dbraw/zinc/99/43/75/807994375.db2.gz UDBFYYHPYDLUDO-OLZOCXBDSA-N 2 2 254.374 0.554 20 0 CCADLP CC[NH+](CC)C[C@H](O)CN1CCc2c([nH+]cn2C)C1 ZINC001253188101 808022849 /nfs/dbraw/zinc/02/28/49/808022849.db2.gz PTOFLZFFGFLKDU-LBPRGKRZSA-N 2 2 266.389 0.481 20 0 CCADLP CCOC(=O)[C@@H]1CC[N@H+](C[C@H](O)C[NH+](CC)CC)C1 ZINC001253189061 808024100 /nfs/dbraw/zinc/02/41/00/808024100.db2.gz FKYFLGAPHIBGJH-CHWSQXEVSA-N 2 2 272.389 0.574 20 0 CCADLP CCOC(=O)[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](CC)CC)C1 ZINC001253189061 808024106 /nfs/dbraw/zinc/02/41/06/808024106.db2.gz FKYFLGAPHIBGJH-CHWSQXEVSA-N 2 2 272.389 0.574 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@H]1OCCc2cn(C)nc21 ZINC001253201857 808028558 /nfs/dbraw/zinc/02/85/58/808028558.db2.gz AFCGVUOSKBBKGB-ZIAGYGMSSA-N 2 2 296.415 0.326 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+][C@H](C(=O)NC(C)C)C(C)C ZINC001253209281 808032820 /nfs/dbraw/zinc/03/28/20/808032820.db2.gz DHZNRISHGHOWFD-KGLIPLIRSA-N 2 2 287.448 0.828 20 0 CCADLP CCCC[C@H]([NH2+]C[C@H](O)C[NH+](CC)CC)C(N)=O ZINC001253215260 808036703 /nfs/dbraw/zinc/03/67/03/808036703.db2.gz WGWINCINTZDBRC-RYUDHWBXSA-N 2 2 259.394 0.323 20 0 CCADLP CC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C1 ZINC001253391229 808053126 /nfs/dbraw/zinc/05/31/26/808053126.db2.gz IUABDTJOIXOROX-CHWSQXEVSA-N 2 2 271.405 0.336 20 0 CCADLP CC(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C1 ZINC001253391229 808053135 /nfs/dbraw/zinc/05/31/35/808053135.db2.gz IUABDTJOIXOROX-CHWSQXEVSA-N 2 2 271.405 0.336 20 0 CCADLP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)C1 ZINC001253404448 808057741 /nfs/dbraw/zinc/05/77/41/808057741.db2.gz WJGATSQAMLHLRL-OLZOCXBDSA-N 3 2 257.422 0.667 20 0 CCADLP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)C1 ZINC001253404448 808057749 /nfs/dbraw/zinc/05/77/49/808057749.db2.gz WJGATSQAMLHLRL-OLZOCXBDSA-N 3 2 257.422 0.667 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]Cc1ncccc1O ZINC001253406374 808060553 /nfs/dbraw/zinc/06/05/53/808060553.db2.gz INWLIWVFZJERNN-JTQLQIEISA-N 2 2 253.346 0.626 20 0 CCADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](C[C@@H](O)C(C)C)CC2 ZINC001253759291 808132566 /nfs/dbraw/zinc/13/25/66/808132566.db2.gz JFAQAJAUIHJDMJ-CQSZACIVSA-N 2 2 297.443 0.680 20 0 CCADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](C[C@@H](O)C(C)C)CC2 ZINC001253759291 808132569 /nfs/dbraw/zinc/13/25/69/808132569.db2.gz JFAQAJAUIHJDMJ-CQSZACIVSA-N 2 2 297.443 0.680 20 0 CCADLP C[N@@H+]1CCC[C@H](N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)CC1 ZINC001254509427 808249273 /nfs/dbraw/zinc/24/92/73/808249273.db2.gz NGDVIXVPKCXJKP-GJZGRUSLSA-N 3 2 266.433 0.483 20 0 CCADLP C[N@H+]1CCC[C@H](N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)CC1 ZINC001254509427 808249281 /nfs/dbraw/zinc/24/92/81/808249281.db2.gz NGDVIXVPKCXJKP-GJZGRUSLSA-N 3 2 266.433 0.483 20 0 CCADLP OCC[NH+]1CCC(C[NH2+][C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254840703 808285463 /nfs/dbraw/zinc/28/54/63/808285463.db2.gz MDQALXFXGLXTJR-MRXNPFEDSA-N 3 2 281.444 0.765 20 0 CCADLP COC(=O)CO[C@H]1CC[N@@H+]([C@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254865870 808292148 /nfs/dbraw/zinc/29/21/48/808292148.db2.gz IRCJBGBDGSHSMI-KBPBESRZSA-N 2 2 282.384 0.735 20 0 CCADLP COC(=O)CO[C@H]1CC[N@H+]([C@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254865870 808292156 /nfs/dbraw/zinc/29/21/56/808292156.db2.gz IRCJBGBDGSHSMI-KBPBESRZSA-N 2 2 282.384 0.735 20 0 CCADLP CCOC(=O)[C@H]1CCC[C@H]([NH2+][C@@H]2COC[C@H]2[NH3+])C1 ZINC001255336427 808346610 /nfs/dbraw/zinc/34/66/10/808346610.db2.gz BQTDTEDBITTYLO-NNYUYHANSA-N 2 2 256.346 0.424 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](C2CCN(C(=O)C(F)(F)F)CC2)C1 ZINC001255969414 808443072 /nfs/dbraw/zinc/44/30/72/808443072.db2.gz AEAJISSEGQTZAQ-MRVPVSSYSA-N 2 2 265.279 0.573 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](C2CCN(C(=O)C(F)(F)F)CC2)C1 ZINC001255969414 808443078 /nfs/dbraw/zinc/44/30/78/808443078.db2.gz AEAJISSEGQTZAQ-MRVPVSSYSA-N 2 2 265.279 0.573 20 0 CCADLP C[C@@]1([NH2+]C2CC[NH+](C3CC3)CC2)CCC(=O)NC1=O ZINC001256069629 808468184 /nfs/dbraw/zinc/46/81/84/808468184.db2.gz JQQJPGPXDHTTSS-CQSZACIVSA-N 2 2 265.357 0.398 20 0 CCADLP C[C@H](NC(=O)[C@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1)C(N)=O ZINC001256565410 808534382 /nfs/dbraw/zinc/53/43/82/808534382.db2.gz ABKWJLGBPINOBY-QWRGUYRKSA-N 2 2 298.431 0.217 20 0 CCADLP C[C@@H]1CC(NC(=[NH2+])N2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC001257078087 808589661 /nfs/dbraw/zinc/58/96/61/808589661.db2.gz VIESGWYTPXPGCO-GHMZBOCLSA-N 2 2 254.378 0.714 20 0 CCADLP COCC[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C(C)(C)C ZINC001279035107 808628431 /nfs/dbraw/zinc/62/84/31/808628431.db2.gz REEIMEDVTLHGFU-GFCCVEGCSA-N 2 2 282.388 0.650 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CC[C@@H](CF)C2)C1 ZINC001262052831 809173934 /nfs/dbraw/zinc/17/39/34/809173934.db2.gz IWKONHVKYDKBSN-NWDGAFQWSA-N 2 2 280.347 0.985 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CC[C@@H](CF)C2)C1 ZINC001262052831 809173935 /nfs/dbraw/zinc/17/39/35/809173935.db2.gz IWKONHVKYDKBSN-NWDGAFQWSA-N 2 2 280.347 0.985 20 0 CCADLP C[C@@H]1OC[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)[C@@H]1C ZINC001262198452 809237278 /nfs/dbraw/zinc/23/72/78/809237278.db2.gz MUOSQXHTUYVOFJ-QPSCCSFWSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@@H]1OC[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)[C@@H]1C ZINC001262198452 809237277 /nfs/dbraw/zinc/23/72/77/809237277.db2.gz MUOSQXHTUYVOFJ-QPSCCSFWSA-N 2 2 297.443 0.942 20 0 CCADLP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC001076365812 815283596 /nfs/dbraw/zinc/28/35/96/815283596.db2.gz OBPHKHHUOBVBDT-UONOGXRCSA-N 2 2 299.390 0.211 20 0 CCADLP O=C(CC[NH+]1CCOCC1)N1CC[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001076365812 815283599 /nfs/dbraw/zinc/28/35/99/815283599.db2.gz OBPHKHHUOBVBDT-UONOGXRCSA-N 2 2 299.390 0.211 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC001263110228 809449407 /nfs/dbraw/zinc/44/94/07/809449407.db2.gz QQYAYPQAPJKFMG-NNYUYHANSA-N 2 2 262.357 0.767 20 0 CCADLP C[NH2+]CCOCCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001263166533 809467207 /nfs/dbraw/zinc/46/72/07/809467207.db2.gz KDYPGOVNNXNNKU-GFCCVEGCSA-N 2 2 280.372 0.140 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000379086914 809507470 /nfs/dbraw/zinc/50/74/70/809507470.db2.gz FHSUBEUPHGFRLS-HNNXBMFYSA-N 2 2 273.380 0.910 20 0 CCADLP C[C@H](CC[S@](C)=O)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000380077191 809519231 /nfs/dbraw/zinc/51/92/31/809519231.db2.gz RKWJXLHJMZCXKX-MOCULFSLSA-N 2 2 262.419 0.188 20 0 CCADLP C[C@H](CC[S@](C)=O)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000380077191 809519230 /nfs/dbraw/zinc/51/92/30/809519230.db2.gz RKWJXLHJMZCXKX-MOCULFSLSA-N 2 2 262.419 0.188 20 0 CCADLP CCOCC[NH2+][C@H]1C[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001263849546 809587902 /nfs/dbraw/zinc/58/79/02/809587902.db2.gz MUQZOZKLUZIOHR-BETUJISGSA-N 2 2 294.399 0.782 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001076504934 815305591 /nfs/dbraw/zinc/30/55/91/815305591.db2.gz ZDRHJTUFJQMNBX-GXTWGEPZSA-N 2 2 292.383 0.176 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001076504934 815305594 /nfs/dbraw/zinc/30/55/94/815305594.db2.gz ZDRHJTUFJQMNBX-GXTWGEPZSA-N 2 2 292.383 0.176 20 0 CCADLP COCCC[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001264378980 809647340 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C[C@H](O)CCC[NH2+][C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001265844015 809872057 /nfs/dbraw/zinc/87/20/57/809872057.db2.gz QYLHUQQTULUKIJ-QWRGUYRKSA-N 2 2 268.361 0.208 20 0 CCADLP CCOCCC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001265923128 809895149 /nfs/dbraw/zinc/89/51/49/809895149.db2.gz IOOYVQSTFWAESE-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@@H](C[NH2+]CCCO)C1 ZINC001265987312 809913422 /nfs/dbraw/zinc/91/34/22/809913422.db2.gz XKQRMNQISUFWQV-YNEHKIRRSA-N 2 2 292.383 0.334 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@@H](C[NH2+]CCCO)C1 ZINC001265987312 809913425 /nfs/dbraw/zinc/91/34/25/809913425.db2.gz XKQRMNQISUFWQV-YNEHKIRRSA-N 2 2 292.383 0.334 20 0 CCADLP COCC[NH2+][C@H]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001266070267 809930499 /nfs/dbraw/zinc/93/04/99/809930499.db2.gz AHQHKIXDGKOSFF-RYUDHWBXSA-N 2 2 280.372 0.616 20 0 CCADLP NC1(c2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)C[NH2+]C1 ZINC001212126659 815414307 /nfs/dbraw/zinc/41/43/07/815414307.db2.gz MMMCKNQPQURLHV-UHFFFAOYSA-N 2 2 282.307 0.680 20 0 CCADLP CN(CC[NH2+]CCCO)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001267375385 811234655 /nfs/dbraw/zinc/23/46/55/811234655.db2.gz GSPGAZQLKFPFDM-UHFFFAOYSA-N 2 2 294.399 0.192 20 0 CCADLP Cc1ncccc1C[NH2+]CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001267446136 811310355 /nfs/dbraw/zinc/31/03/55/811310355.db2.gz LUYAGKUOFPVCNZ-UHFFFAOYSA-N 2 2 287.367 0.904 20 0 CCADLP CC[C@H](C)C[C@H](C)NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220240451 811725349 /nfs/dbraw/zinc/72/53/49/811725349.db2.gz LFEVVZIFVMDTEM-MNXVOIDGSA-N 2 2 253.390 0.879 20 0 CCADLP CC(C)C[NH2+]C[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001268009574 811947037 /nfs/dbraw/zinc/94/70/37/811947037.db2.gz VZJUGWNFAVCWDD-LLVKDONJSA-N 2 2 252.362 0.950 20 0 CCADLP CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@@H](O)C1 ZINC001083583530 815503267 /nfs/dbraw/zinc/50/32/67/815503267.db2.gz JEMGZMNYAOZRFM-UPJWGTAASA-N 2 2 292.383 0.017 20 0 CCADLP CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@@H](O)C1 ZINC001083583530 815503273 /nfs/dbraw/zinc/50/32/73/815503273.db2.gz JEMGZMNYAOZRFM-UPJWGTAASA-N 2 2 292.383 0.017 20 0 CCADLP CCN1CCC[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1=O ZINC000722348260 812132933 /nfs/dbraw/zinc/13/29/33/812132933.db2.gz RXJNMUSOTAIVDZ-VZKILSJISA-N 2 2 263.385 0.583 20 0 CCADLP C[C@H](C[NH2+]CCCO)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001268071883 812183742 /nfs/dbraw/zinc/18/37/42/812183742.db2.gz RDLDTIULEAKKEO-CHWSQXEVSA-N 2 2 294.399 0.264 20 0 CCADLP O=C(NC[C@H]1CCC[N@H+]1CCO)[C@H]1CCc2c[nH+]cn2C1 ZINC001027982186 812191976 /nfs/dbraw/zinc/19/19/76/812191976.db2.gz RPPMNGUKZMKKJP-QWHCGFSZSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(NC[C@H]1CCC[N@@H+]1CCO)[C@H]1CCc2c[nH+]cn2C1 ZINC001027982186 812191983 /nfs/dbraw/zinc/19/19/83/812191983.db2.gz RPPMNGUKZMKKJP-QWHCGFSZSA-N 2 2 292.383 0.018 20 0 CCADLP CC[N@H+](CCO)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001098514343 812303504 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CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC1CC1 ZINC001269517445 813401232 /nfs/dbraw/zinc/40/12/32/813401232.db2.gz XXZNJFCAZVKUQO-LBPRGKRZSA-N 2 2 250.346 0.778 20 0 CCADLP C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CCCc2c[nH+]cn21 ZINC001270391141 813745147 /nfs/dbraw/zinc/74/51/47/813745147.db2.gz XRGDKRRYJIVDHR-HZSPNIEDSA-N 2 2 290.367 0.302 20 0 CCADLP C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CCCc2c[nH+]cn21 ZINC001270391141 813745155 /nfs/dbraw/zinc/74/51/55/813745155.db2.gz XRGDKRRYJIVDHR-HZSPNIEDSA-N 2 2 290.367 0.302 20 0 CCADLP C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC001270447370 813767036 /nfs/dbraw/zinc/76/70/36/813767036.db2.gz SLQCKDPPXDXUGU-DMDPSCGWSA-N 2 2 274.368 0.992 20 0 CCADLP C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC001270447370 813767038 /nfs/dbraw/zinc/76/70/38/813767038.db2.gz SLQCKDPPXDXUGU-DMDPSCGWSA-N 2 2 274.368 0.992 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C[NH2+]CCO)C1CCCC1 ZINC001270450282 813768530 /nfs/dbraw/zinc/76/85/30/813768530.db2.gz TUXIACJIHRVHAK-AWEZNQCLSA-N 2 2 294.399 0.518 20 0 CCADLP C[N@H+]1C[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H](C1)O2 ZINC001270609412 813838665 /nfs/dbraw/zinc/83/86/65/813838665.db2.gz FGVYIPFPWZJYJC-OKILXGFUSA-N 2 2 286.335 0.489 20 0 CCADLP C[N@@H+]1C[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H](C1)O2 ZINC001270609412 813838675 /nfs/dbraw/zinc/83/86/75/813838675.db2.gz FGVYIPFPWZJYJC-OKILXGFUSA-N 2 2 286.335 0.489 20 0 CCADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001270977305 814105536 /nfs/dbraw/zinc/10/55/36/814105536.db2.gz NEQFYUHKEFPFSB-PSEXLTFBSA-N 2 2 267.373 0.058 20 0 CCADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001270977305 814105541 /nfs/dbraw/zinc/10/55/41/814105541.db2.gz NEQFYUHKEFPFSB-PSEXLTFBSA-N 2 2 267.373 0.058 20 0 CCADLP C[C@H](C(=O)N1C[C@@H]2C[N@@H+](C)C[C@H](C1)O2)[NH+]1CCCC1 ZINC001271210471 814335751 /nfs/dbraw/zinc/33/57/51/814335751.db2.gz DEISHQKOPSKNRR-UPJWGTAASA-N 2 2 267.373 0.012 20 0 CCADLP C[C@H](C(=O)N1C[C@@H]2C[N@H+](C)C[C@H](C1)O2)[NH+]1CCCC1 ZINC001271210471 814335760 /nfs/dbraw/zinc/33/57/60/814335760.db2.gz DEISHQKOPSKNRR-UPJWGTAASA-N 2 2 267.373 0.012 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CCCCC[C@@H]([NH2+]CCO)C1 ZINC001088325122 814611835 /nfs/dbraw/zinc/61/18/35/814611835.db2.gz IBHGGJXKNQMCNB-CQSZACIVSA-N 2 2 294.399 0.695 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CCCCC[C@@H]([NH2+]CCO)C1 ZINC001088325122 814611840 /nfs/dbraw/zinc/61/18/40/814611840.db2.gz IBHGGJXKNQMCNB-CQSZACIVSA-N 2 2 294.399 0.695 20 0 CCADLP Cc1nc(N[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc[nH+]1 ZINC001059647152 814678934 /nfs/dbraw/zinc/67/89/34/814678934.db2.gz LGZKLEHTCRHHNC-RWMBFGLXSA-N 2 2 289.383 0.796 20 0 CCADLP Cc1nc(N[C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc[nH+]1 ZINC001059647152 814678938 /nfs/dbraw/zinc/67/89/38/814678938.db2.gz LGZKLEHTCRHHNC-RWMBFGLXSA-N 2 2 289.383 0.796 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NC2C[NH+](CCOC)C2)CC[N@@H+]1C ZINC001030339242 815982766 /nfs/dbraw/zinc/98/27/66/815982766.db2.gz LIXWCUOUODBQBQ-QWHCGFSZSA-N 2 2 269.389 0.164 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NC2C[NH+](CCOC)C2)CC[N@H+]1C ZINC001030339242 815982770 /nfs/dbraw/zinc/98/27/70/815982770.db2.gz LIXWCUOUODBQBQ-QWHCGFSZSA-N 2 2 269.389 0.164 20 0 CCADLP COCC[NH+]1CC(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001030432955 816036881 /nfs/dbraw/zinc/03/68/81/816036881.db2.gz SUYILWWDHDFRET-ZDUSSCGKSA-N 2 2 283.416 0.411 20 0 CCADLP COCC[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001030432955 816036887 /nfs/dbraw/zinc/03/68/87/816036887.db2.gz SUYILWWDHDFRET-ZDUSSCGKSA-N 2 2 283.416 0.411 20 0 CCADLP CC(C)C[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001030515509 816080088 /nfs/dbraw/zinc/08/00/88/816080088.db2.gz AHLNPWZVPOHSKY-DGCLKSJQSA-N 2 2 269.389 0.162 20 0 CCADLP CC(C)C[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001030515509 816080092 /nfs/dbraw/zinc/08/00/92/816080092.db2.gz AHLNPWZVPOHSKY-DGCLKSJQSA-N 2 2 269.389 0.162 20 0 CCADLP CC[C@H](C)C[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001030515670 816081416 /nfs/dbraw/zinc/08/14/16/816081416.db2.gz FHOIXXNIEQVBII-OUCADQQQSA-N 2 2 283.416 0.552 20 0 CCADLP CC[C@H](C)C[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001030515670 816081422 /nfs/dbraw/zinc/08/14/22/816081422.db2.gz FHOIXXNIEQVBII-OUCADQQQSA-N 2 2 283.416 0.552 20 0 CCADLP CC[C@H](C[NH+]1CC(NC(=O)[C@H]2CCCC[N@@H+]2C)C1)OC ZINC001030532820 816090163 /nfs/dbraw/zinc/09/01/63/816090163.db2.gz WTNNCYFWVFDXCX-ZIAGYGMSSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@H](C[NH+]1CC(NC(=O)[C@H]2CCCC[N@H+]2C)C1)OC ZINC001030532820 816090171 /nfs/dbraw/zinc/09/01/71/816090171.db2.gz WTNNCYFWVFDXCX-ZIAGYGMSSA-N 2 2 283.416 0.696 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001030618295 816151491 /nfs/dbraw/zinc/15/14/91/816151491.db2.gz CTZSGFCNXUBGDA-NSHDSACASA-N 2 2 288.351 0.783 20 0 CCADLP C[NH+]1CCC(C(=O)NC2C[NH+](CCn3cccn3)C2)CC1 ZINC001030891784 816400719 /nfs/dbraw/zinc/40/07/19/816400719.db2.gz OOEUFEBEOLPBQJ-UHFFFAOYSA-N 2 2 291.399 0.025 20 0 CCADLP C[NH+]1CCC(C(=O)NC2C[NH+](C[C@@H]3CCCCO3)C2)CC1 ZINC001030892870 816400990 /nfs/dbraw/zinc/40/09/90/816400990.db2.gz JHFNTXYGDUYNPT-HNNXBMFYSA-N 2 2 295.427 0.698 20 0 CCADLP CC[N@@H+]1CCC[C@@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001272437359 816427915 /nfs/dbraw/zinc/42/79/15/816427915.db2.gz JFVOGYBZDPSVGK-AWEZNQCLSA-N 2 2 262.357 0.970 20 0 CCADLP CC[N@H+]1CCC[C@@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001272437359 816427918 /nfs/dbraw/zinc/42/79/18/816427918.db2.gz JFVOGYBZDPSVGK-AWEZNQCLSA-N 2 2 262.357 0.970 20 0 CCADLP CC(C)=CC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001030965207 816513004 /nfs/dbraw/zinc/51/30/04/816513004.db2.gz YIHFGPZFABYPFC-TZMCWYRMSA-N 2 2 265.401 0.951 20 0 CCADLP CC(C)=CC[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001030965207 816513010 /nfs/dbraw/zinc/51/30/10/816513010.db2.gz YIHFGPZFABYPFC-TZMCWYRMSA-N 2 2 265.401 0.951 20 0 CCADLP CCC[NH+]1CC(NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001031267342 816915743 /nfs/dbraw/zinc/91/57/43/816915743.db2.gz CEOCUDHDAYKMDJ-UHFFFAOYSA-N 2 2 262.357 0.972 20 0 CCADLP O=C(C[NH+]1CCCC1)NC1C[NH+](CCC[C@H]2CCOC2)C1 ZINC001031389127 817023209 /nfs/dbraw/zinc/02/32/09/817023209.db2.gz BWSMDXSVSAZQAR-AWEZNQCLSA-N 2 2 295.427 0.699 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC1C[NH+](CC[C@@H]2CCCO2)C1 ZINC001031476219 817072480 /nfs/dbraw/zinc/07/24/80/817072480.db2.gz BITCXRFECBKQRO-ZDUSSCGKSA-N 2 2 278.356 0.253 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C/C=C\Cl)C1 ZINC001031585213 817165201 /nfs/dbraw/zinc/16/52/01/817165201.db2.gz SCJFEPCTHRVBCX-FHMRSRPSSA-N 2 2 271.792 0.881 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C/C=C\Cl)C1 ZINC001031585213 817165204 /nfs/dbraw/zinc/16/52/04/817165204.db2.gz SCJFEPCTHRVBCX-FHMRSRPSSA-N 2 2 271.792 0.881 20 0 CCADLP O=C(NCC1C[NH+](CCCF)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001031783842 817365092 /nfs/dbraw/zinc/36/50/92/817365092.db2.gz HPUZPDCBALEXSK-ZDUSSCGKSA-N 2 2 294.374 0.853 20 0 CCADLP C[NH+](C)CCOCC[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000353673703 817430346 /nfs/dbraw/zinc/43/03/46/817430346.db2.gz RXWJMZWSXLEVCT-LBPRGKRZSA-N 2 2 252.362 0.955 20 0 CCADLP Cc1nc(NC/C=C\CNC(=O)CC[NH+](C)C)cc[nH+]1 ZINC001107490953 817868540 /nfs/dbraw/zinc/86/85/40/817868540.db2.gz YPKVKNOJZFNFDR-PLNGDYQASA-N 2 2 277.372 0.821 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CC2)C1 ZINC001032331956 817886889 /nfs/dbraw/zinc/88/68/89/817886889.db2.gz NKFLOLGLPJKUMF-IHRRRGAJSA-N 2 2 279.384 0.012 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CC2)C1 ZINC001032331956 817886892 /nfs/dbraw/zinc/88/68/92/817886892.db2.gz NKFLOLGLPJKUMF-IHRRRGAJSA-N 2 2 279.384 0.012 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CC2)C1 ZINC001032331956 817886900 /nfs/dbraw/zinc/88/69/00/817886900.db2.gz NKFLOLGLPJKUMF-IHRRRGAJSA-N 2 2 279.384 0.012 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CC2)C1 ZINC001032331956 817886909 /nfs/dbraw/zinc/88/69/09/817886909.db2.gz NKFLOLGLPJKUMF-IHRRRGAJSA-N 2 2 279.384 0.012 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)OCCCF ZINC001212462853 818136759 /nfs/dbraw/zinc/13/67/59/818136759.db2.gz JMRWIGTUJZZFGL-UHFFFAOYSA-N 2 2 263.357 0.956 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)OCCCF ZINC001212462853 818136753 /nfs/dbraw/zinc/13/67/53/818136753.db2.gz JMRWIGTUJZZFGL-UHFFFAOYSA-N 2 2 263.357 0.956 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000358120692 818161875 /nfs/dbraw/zinc/16/18/75/818161875.db2.gz QRXSGWFBILNPMB-NWDGAFQWSA-N 2 2 277.372 0.846 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000358120692 818161880 /nfs/dbraw/zinc/16/18/80/818161880.db2.gz QRXSGWFBILNPMB-NWDGAFQWSA-N 2 2 277.372 0.846 20 0 CCADLP CC(C)[N@@H+]1CCn2ncc(CNC(=O)CC[NH+](C)C)c2C1 ZINC001128467015 818269476 /nfs/dbraw/zinc/26/94/76/818269476.db2.gz MGSQUFSIPWKDAQ-UHFFFAOYSA-N 2 2 293.415 0.675 20 0 CCADLP CC(C)[N@H+]1CCn2ncc(CNC(=O)CC[NH+](C)C)c2C1 ZINC001128467015 818269482 /nfs/dbraw/zinc/26/94/82/818269482.db2.gz MGSQUFSIPWKDAQ-UHFFFAOYSA-N 2 2 293.415 0.675 20 0 CCADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCF)C1 ZINC001032960504 818388315 /nfs/dbraw/zinc/38/83/15/818388315.db2.gz VGEKUTYRVBLIJG-VXGBXAGGSA-N 2 2 257.353 0.583 20 0 CCADLP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CCF)C1 ZINC001032960504 818388328 /nfs/dbraw/zinc/38/83/28/818388328.db2.gz VGEKUTYRVBLIJG-VXGBXAGGSA-N 2 2 257.353 0.583 20 0 CCADLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CCF)C1 ZINC001032960504 818388335 /nfs/dbraw/zinc/38/83/35/818388335.db2.gz VGEKUTYRVBLIJG-VXGBXAGGSA-N 2 2 257.353 0.583 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc3c(n2)C[NH2+]CC3)CC1 ZINC001168734769 818529785 /nfs/dbraw/zinc/52/97/85/818529785.db2.gz AHMBKKXXHHZCKG-UHFFFAOYSA-N 3 2 274.372 0.321 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccn3ncnc3c2)CC1 ZINC001168736193 818542807 /nfs/dbraw/zinc/54/28/07/818542807.db2.gz BYTZFRGHEJHCNU-UHFFFAOYSA-N 2 2 259.317 0.323 20 0 CCADLP Cn1ccc2nc(NC(=[NH2+])N3CC[NH+](C)CC3)cnc21 ZINC001168737130 818560581 /nfs/dbraw/zinc/56/05/81/818560581.db2.gz PJIIHPAFRKQHAE-UHFFFAOYSA-N 2 2 273.344 0.562 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc3nccnc3n2)CC1 ZINC001168737178 818561633 /nfs/dbraw/zinc/56/16/33/818561633.db2.gz XCJCIMDPSZCNFJ-UHFFFAOYSA-N 2 2 271.328 0.619 20 0 CCADLP COCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001033163547 818589893 /nfs/dbraw/zinc/58/98/93/818589893.db2.gz MZGDZWYAMGDVIC-YNEHKIRRSA-N 2 2 292.383 0.692 20 0 CCADLP COCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001033163547 818589899 /nfs/dbraw/zinc/58/98/99/818589899.db2.gz MZGDZWYAMGDVIC-YNEHKIRRSA-N 2 2 292.383 0.692 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccnn(CC3CC3)c2=O)CC1 ZINC001168740156 818596468 /nfs/dbraw/zinc/59/64/68/818596468.db2.gz FPKIFVIVCPMFCE-UHFFFAOYSA-N 2 2 290.371 0.247 20 0 CCADLP CC(C)n1cc(NC(=[NH2+])N2CC[NH+](C)CC2)cnc1=O ZINC001168740631 818605933 /nfs/dbraw/zinc/60/59/33/818605933.db2.gz KVJDYFUHLDJFQP-UHFFFAOYSA-N 2 2 278.360 0.418 20 0 CCADLP CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@H+](CCCF)C1 ZINC001033587134 818841480 /nfs/dbraw/zinc/84/14/80/818841480.db2.gz FRCAQYSEZCJEQQ-GFCCVEGCSA-N 2 2 282.363 0.855 20 0 CCADLP CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@@H+](CCCF)C1 ZINC001033587134 818841483 /nfs/dbraw/zinc/84/14/83/818841483.db2.gz FRCAQYSEZCJEQQ-GFCCVEGCSA-N 2 2 282.363 0.855 20 0 CCADLP CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001033788579 818936012 /nfs/dbraw/zinc/93/60/12/818936012.db2.gz HVZCBLMCSDPBSE-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001033788579 818936013 /nfs/dbraw/zinc/93/60/13/818936013.db2.gz HVZCBLMCSDPBSE-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001033788579 818936017 /nfs/dbraw/zinc/93/60/17/818936017.db2.gz HVZCBLMCSDPBSE-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001033788579 818936021 /nfs/dbraw/zinc/93/60/21/818936021.db2.gz HVZCBLMCSDPBSE-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CC[N@@H+](CCO)C1 ZINC001033864976 818968465 /nfs/dbraw/zinc/96/84/65/818968465.db2.gz OQHVXCVCBCHGCB-YNEHKIRRSA-N 2 2 292.383 0.428 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+]C[C@@H]1C[C@@]12CCOC2 ZINC001128967116 819235057 /nfs/dbraw/zinc/23/50/57/819235057.db2.gz BVEWPYFRKFVMAZ-SWLSCSKDSA-N 2 2 292.383 0.475 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC[NH2+]C[C@@H]1C[C@@]12CCOC2 ZINC001128967116 819235062 /nfs/dbraw/zinc/23/50/62/819235062.db2.gz BVEWPYFRKFVMAZ-SWLSCSKDSA-N 2 2 292.383 0.475 20 0 CCADLP C[C@H]1C[C@@H](C[NH2+]CCNC(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001128967517 819238246 /nfs/dbraw/zinc/23/82/46/819238246.db2.gz UOGZDZYDPYRBNG-STQMWFEESA-N 2 2 294.399 0.863 20 0 CCADLP C[C@H]1C[C@@H](C[NH2+]CCNC(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC001128967517 819238251 /nfs/dbraw/zinc/23/82/51/819238251.db2.gz UOGZDZYDPYRBNG-STQMWFEESA-N 2 2 294.399 0.863 20 0 CCADLP CO[C@H](C)C[N@@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547613 819240685 /nfs/dbraw/zinc/24/06/85/819240685.db2.gz VZSLHNNVBKZQDZ-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP CO[C@H](C)C[N@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547613 819240689 /nfs/dbraw/zinc/24/06/89/819240689.db2.gz VZSLHNNVBKZQDZ-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP CC[NH2+][C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001034763511 819324672 /nfs/dbraw/zinc/32/46/72/819324672.db2.gz KJFQJALMFRUJJC-XYPYZODXSA-N 2 2 250.346 0.989 20 0 CCADLP C[C@@H]1CC[N@H+](CCCCS(C)(=O)=O)C[C@@H]1C[NH3+] ZINC000706604657 819655067 /nfs/dbraw/zinc/65/50/67/819655067.db2.gz PBSCSFDRKNQODP-NEPJUHHUSA-N 2 2 262.419 0.728 20 0 CCADLP C[C@@H]1CC[N@@H+](CCCCS(C)(=O)=O)C[C@@H]1C[NH3+] ZINC000706604657 819655075 /nfs/dbraw/zinc/65/50/75/819655075.db2.gz PBSCSFDRKNQODP-NEPJUHHUSA-N 2 2 262.419 0.728 20 0 CCADLP C[C@H]1CC[N@H+](CCCCS(C)(=O)=O)C[C@H]1C[NH3+] ZINC000706604658 819655403 /nfs/dbraw/zinc/65/54/03/819655403.db2.gz PBSCSFDRKNQODP-NWDGAFQWSA-N 2 2 262.419 0.728 20 0 CCADLP C[C@H]1CC[N@@H+](CCCCS(C)(=O)=O)C[C@H]1C[NH3+] ZINC000706604658 819655409 /nfs/dbraw/zinc/65/54/09/819655409.db2.gz PBSCSFDRKNQODP-NWDGAFQWSA-N 2 2 262.419 0.728 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001036204317 819704642 /nfs/dbraw/zinc/70/46/42/819704642.db2.gz JJRCCXWIZUCAPV-ZYHUDNBSSA-N 2 2 250.346 0.799 20 0 CCADLP CC(C)(CNC(=O)[C@H]1C[NH2+]CC1(C)C)[NH+]1CCOCC1 ZINC000711320505 820004123 /nfs/dbraw/zinc/00/41/23/820004123.db2.gz ZOQXLKDCRDTPEX-GFCCVEGCSA-N 2 2 283.416 0.459 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001081038280 820670585 /nfs/dbraw/zinc/67/05/85/820670585.db2.gz WDDWYGSBDMLYIZ-MGPQQGTHSA-N 2 2 292.383 0.356 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001081038280 820670592 /nfs/dbraw/zinc/67/05/92/820670592.db2.gz WDDWYGSBDMLYIZ-MGPQQGTHSA-N 2 2 292.383 0.356 20 0 CCADLP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CC[NH+](CCF)C[C@H]21 ZINC001084661156 821342874 /nfs/dbraw/zinc/34/28/74/821342874.db2.gz JJGBQRSBJLNOPO-BFHYXJOUSA-N 2 2 283.391 0.973 20 0 CCADLP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@H]2CC[NH+](CCF)C[C@H]21 ZINC001084661156 821342884 /nfs/dbraw/zinc/34/28/84/821342884.db2.gz JJGBQRSBJLNOPO-BFHYXJOUSA-N 2 2 283.391 0.973 20 0 CCADLP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2CC[N@H+](CCF)C[C@H]21 ZINC001084661156 821342893 /nfs/dbraw/zinc/34/28/93/821342893.db2.gz JJGBQRSBJLNOPO-BFHYXJOUSA-N 2 2 283.391 0.973 20 0 CCADLP C[C@H]1CCC[NH+]1CC(=O)N1C[C@H]2CC[N@@H+](CCF)C[C@H]21 ZINC001084661156 821342901 /nfs/dbraw/zinc/34/29/01/821342901.db2.gz JJGBQRSBJLNOPO-BFHYXJOUSA-N 2 2 283.391 0.973 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001084686910 821349774 /nfs/dbraw/zinc/34/97/74/821349774.db2.gz BWFMMJFJYMKYNC-OUCADQQQSA-N 2 2 292.383 0.520 20 0 CCADLP CN(C[C@@H]1CC[N@@H+]1CCCF)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001085531528 821771065 /nfs/dbraw/zinc/77/10/65/821771065.db2.gz VIYPTHVAKWETOO-QWHCGFSZSA-N 2 2 287.379 0.209 20 0 CCADLP CN(C[C@@H]1CC[N@H+]1CCCF)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001085531528 821771067 /nfs/dbraw/zinc/77/10/67/821771067.db2.gz VIYPTHVAKWETOO-QWHCGFSZSA-N 2 2 287.379 0.209 20 0 CCADLP CN(C[C@@H]1CC[NH+]1CCCF)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001085531528 821771072 /nfs/dbraw/zinc/77/10/72/821771072.db2.gz VIYPTHVAKWETOO-QWHCGFSZSA-N 2 2 287.379 0.209 20 0 CCADLP CN(C[C@@H]1CC[NH+]1CCCF)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001085531528 821771077 /nfs/dbraw/zinc/77/10/77/821771077.db2.gz VIYPTHVAKWETOO-QWHCGFSZSA-N 2 2 287.379 0.209 20 0 CCADLP COC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH]cc[nH+]1 ZINC001114213321 837474537 /nfs/dbraw/zinc/47/45/37/837474537.db2.gz YPUGVQJMWHQYMZ-UUIJZJDISA-N 2 2 292.383 0.424 20 0 CCADLP COC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH]cc[nH+]1 ZINC001114213321 837474541 /nfs/dbraw/zinc/47/45/41/837474541.db2.gz YPUGVQJMWHQYMZ-UUIJZJDISA-N 2 2 292.383 0.424 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)C[N@H+](C)C2CCC2)o1 ZINC001129535418 837528348 /nfs/dbraw/zinc/52/83/48/837528348.db2.gz QEPMGQGVDKOXSV-SNVBAGLBSA-N 2 2 295.387 0.629 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)C[N@@H+](C)C2CCC2)o1 ZINC001129535418 837528356 /nfs/dbraw/zinc/52/83/56/837528356.db2.gz QEPMGQGVDKOXSV-SNVBAGLBSA-N 2 2 295.387 0.629 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]Cc1cnon1 ZINC001129841856 837566605 /nfs/dbraw/zinc/56/66/05/837566605.db2.gz QAPJWFLEDVLJIW-GFCCVEGCSA-N 2 2 281.360 0.150 20 0 CCADLP C[N@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]Cc1cnon1 ZINC001129841856 837566610 /nfs/dbraw/zinc/56/66/10/837566610.db2.gz QAPJWFLEDVLJIW-GFCCVEGCSA-N 2 2 281.360 0.150 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[NH2+]Cc1ncccn1)[NH+](C)C ZINC001129946960 837597851 /nfs/dbraw/zinc/59/78/51/837597851.db2.gz BXGBTDLNCTYYQZ-ZDUSSCGKSA-N 2 2 279.388 0.269 20 0 CCADLP CCOCC[NH2+]CCNC(=O)Cc1c[nH+]ccc1OC ZINC001130180298 837715147 /nfs/dbraw/zinc/71/51/47/837715147.db2.gz LVKPZUXYGGYOJK-UHFFFAOYSA-N 2 2 281.356 0.375 20 0 CCADLP CC[C@H](C(=O)NCC[NH2+]Cc1nc(C(C)C)no1)[NH+](C)C ZINC001130198161 837721923 /nfs/dbraw/zinc/72/19/23/837721923.db2.gz XXPURKYIYVWUAF-LLVKDONJSA-N 2 2 297.403 0.739 20 0 CCADLP CCCc1noc(C[NH2+]CCNC(=O)[C@@H](CC)[NH+](C)C)n1 ZINC001130198120 837723072 /nfs/dbraw/zinc/72/30/72/837723072.db2.gz VOCNAOZVWWVHSS-LLVKDONJSA-N 2 2 297.403 0.568 20 0 CCADLP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001130419401 837795266 /nfs/dbraw/zinc/79/52/66/837795266.db2.gz ZBAMBUZGEMMQSQ-UHFFFAOYSA-N 2 2 283.376 0.314 20 0 CCADLP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1nc(C)no1 ZINC001130419401 837795273 /nfs/dbraw/zinc/79/52/73/837795273.db2.gz ZBAMBUZGEMMQSQ-UHFFFAOYSA-N 2 2 283.376 0.314 20 0 CCADLP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1ncccn1 ZINC001130418910 837794024 /nfs/dbraw/zinc/79/40/24/837794024.db2.gz BYJDFYPRQTUAQJ-UHFFFAOYSA-N 2 2 279.388 0.413 20 0 CCADLP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1ncccn1 ZINC001130418910 837794030 /nfs/dbraw/zinc/79/40/30/837794030.db2.gz BYJDFYPRQTUAQJ-UHFFFAOYSA-N 2 2 279.388 0.413 20 0 CCADLP C[C@H](O)CCC[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130477902 837801741 /nfs/dbraw/zinc/80/17/41/837801741.db2.gz NNTYYDPUOGGOCZ-STQMWFEESA-N 2 2 294.399 0.312 20 0 CCADLP CC[C@H](C[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)OC ZINC001130488161 837812238 /nfs/dbraw/zinc/81/22/38/837812238.db2.gz NHIUXQSGBYCZDC-TZMCWYRMSA-N 2 2 294.399 0.576 20 0 CCADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001183628650 844059485 /nfs/dbraw/zinc/05/94/85/844059485.db2.gz COZMBHUJZHUCQY-GFCCVEGCSA-N 2 2 288.351 0.749 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001183765631 844085133 /nfs/dbraw/zinc/08/51/33/844085133.db2.gz XYOOVABNJHDCSM-CHWSQXEVSA-N 2 2 292.383 0.282 20 0 CCADLP CC[N@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001108399132 835999864 /nfs/dbraw/zinc/99/98/64/835999864.db2.gz MRIMWAHJCFEDLZ-CQSZACIVSA-N 2 2 269.389 0.309 20 0 CCADLP CC[N@@H+]1CCO[C@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001108399132 835999855 /nfs/dbraw/zinc/99/98/55/835999855.db2.gz MRIMWAHJCFEDLZ-CQSZACIVSA-N 2 2 269.389 0.309 20 0 CCADLP CCC[N@@H+]1CCO[C@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001108439431 836110750 /nfs/dbraw/zinc/11/07/50/836110750.db2.gz KDFWPOGJPDHMMS-CQSZACIVSA-N 2 2 280.372 0.500 20 0 CCADLP CCC[N@H+]1CCO[C@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001108439431 836110758 /nfs/dbraw/zinc/11/07/58/836110758.db2.gz KDFWPOGJPDHMMS-CQSZACIVSA-N 2 2 280.372 0.500 20 0 CCADLP CNc1cc(Cl)cnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169070856 836123712 /nfs/dbraw/zinc/12/37/12/836123712.db2.gz DTANDPJLFYFWAT-SECBINFHSA-N 2 2 281.747 0.825 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc(-c2cccnc2)nn1 ZINC001169071769 836124881 /nfs/dbraw/zinc/12/48/81/836124881.db2.gz KIBVWKURCXMERB-GFCCVEGCSA-N 2 2 296.334 0.586 20 0 CCADLP [NH3+][C@@H](CO)Cc1cncn1-c1ccc(Cn2cc[nH+]c2)cn1 ZINC001169072177 836125088 /nfs/dbraw/zinc/12/50/88/836125088.db2.gz JZYNGBKZUCCOLP-CYBMUJFWSA-N 2 2 298.350 0.374 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cnc(C2CC2)nc1 ZINC001169074569 836127211 /nfs/dbraw/zinc/12/72/11/836127211.db2.gz RSWGWDBVMHNSJD-SNVBAGLBSA-N 2 2 259.313 0.402 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc(-n2ccnn2)cc1 ZINC001169073856 836127538 /nfs/dbraw/zinc/12/75/38/836127538.db2.gz NGBBBFCLICLTPN-LLVKDONJSA-N 2 2 284.323 0.315 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(CC[NH3+])CC1)C2 ZINC001169091188 836136512 /nfs/dbraw/zinc/13/65/12/836136512.db2.gz PAUXRRGODCDVSF-BTTYYORXSA-N 3 2 252.406 0.188 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN(CC[NH3+])CC1)C2 ZINC001169091188 836136516 /nfs/dbraw/zinc/13/65/16/836136516.db2.gz PAUXRRGODCDVSF-BTTYYORXSA-N 3 2 252.406 0.188 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Nc2cc[nH+]c(C)c2F)C[NH2+]1 ZINC001169136335 836148785 /nfs/dbraw/zinc/14/87/85/836148785.db2.gz KCBZUVDIJPDCJM-SCZZXKLOSA-N 2 2 253.277 0.266 20 0 CCADLP CC[NH+]1CCC([NH2+][C@@]2(C)CCC(=O)NC2=O)CC1 ZINC001169233500 836166454 /nfs/dbraw/zinc/16/64/54/836166454.db2.gz ROHXHAGZTADZTI-ZDUSSCGKSA-N 2 2 253.346 0.256 20 0 CCADLP CC[NH+]1CCC(N[C@H](Cc2c[nH+]cn2C)C(=O)OC)CC1 ZINC001169238715 836171349 /nfs/dbraw/zinc/17/13/49/836171349.db2.gz LMWDOACITRVWOJ-CQSZACIVSA-N 2 2 294.399 0.578 20 0 CCADLP C[NH+](C)C1(C(=O)NCC[NH2+]Cc2cnsn2)CCC1 ZINC001129352383 836495926 /nfs/dbraw/zinc/49/59/26/836495926.db2.gz ZOGJTBDPEHIAPN-UHFFFAOYSA-N 2 2 283.401 0.228 20 0 CCADLP Cc1nc(NC(=N)SCC[NH3+])cc(N(C)C)[nH+]1 ZINC001157128179 836799840 /nfs/dbraw/zinc/79/98/40/836799840.db2.gz FEDMMWZDVFCXIU-UHFFFAOYSA-N 2 2 254.363 0.890 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001184492053 844241368 /nfs/dbraw/zinc/24/13/68/844241368.db2.gz GUJHSDXTWPTINA-CHWSQXEVSA-N 2 2 294.399 0.578 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@@H]([NH2+]CCCF)C1 ZINC001184710078 844275351 /nfs/dbraw/zinc/27/53/51/844275351.db2.gz PHYVCEOTIZLTJZ-GFCCVEGCSA-N 2 2 268.336 0.823 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]CCc2[nH+]ccn2C)C1 ZINC001170540367 837998545 /nfs/dbraw/zinc/99/85/45/837998545.db2.gz RCFRPNMTQZUQCY-GHMZBOCLSA-N 2 2 251.330 0.894 20 0 CCADLP CCOCC[NH2+]CCNC(=O)c1cccc2[nH+]ccn21 ZINC001131273056 838027389 /nfs/dbraw/zinc/02/73/89/838027389.db2.gz CUKGSCSLECKPMK-UHFFFAOYSA-N 2 2 276.340 0.690 20 0 CCADLP Cc1cc(C[NH2+]CCNC(=O)CCn2cc[nH+]c2)nn1C ZINC001132079910 838313315 /nfs/dbraw/zinc/31/33/15/838313315.db2.gz SCQCKKWXSLDXNW-UHFFFAOYSA-N 2 2 290.371 0.221 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@@H+]1CCO ZINC001132091354 838317016 /nfs/dbraw/zinc/31/70/16/838317016.db2.gz WCSHTHILRLTVPO-AAEUAGOBSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@H+]1CCO ZINC001132091354 838317021 /nfs/dbraw/zinc/31/70/21/838317021.db2.gz WCSHTHILRLTVPO-AAEUAGOBSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@@H+]1CCO ZINC001132091354 838317026 /nfs/dbraw/zinc/31/70/26/838317026.db2.gz WCSHTHILRLTVPO-AAEUAGOBSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)C[N@@H+]1CCO ZINC001132195221 838331700 /nfs/dbraw/zinc/33/17/00/838331700.db2.gz LPDWNONPWBBLRP-QWHCGFSZSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@H]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)C[N@H+]1CCO ZINC001132195221 838331703 /nfs/dbraw/zinc/33/17/03/838331703.db2.gz LPDWNONPWBBLRP-QWHCGFSZSA-N 2 2 294.399 0.314 20 0 CCADLP COCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001132533018 838426784 /nfs/dbraw/zinc/42/67/84/838426784.db2.gz IUYOEQKRCBITKH-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP COCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001132533018 838426788 /nfs/dbraw/zinc/42/67/88/838426788.db2.gz IUYOEQKRCBITKH-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[N@@H+]1CCO ZINC001132545729 838427432 /nfs/dbraw/zinc/42/74/32/838427432.db2.gz FKSQLKXGGKZWNO-UONOGXRCSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[N@H+]1CCO ZINC001132545729 838427436 /nfs/dbraw/zinc/42/74/36/838427436.db2.gz FKSQLKXGGKZWNO-UONOGXRCSA-N 2 2 294.399 0.625 20 0 CCADLP Cc1noc(C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC001132882980 838511583 /nfs/dbraw/zinc/51/15/83/838511583.db2.gz KUCDADZNFKOKCD-JQWIXIFHSA-N 2 2 295.387 0.314 20 0 CCADLP Cc1noc(C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC001132882980 838511587 /nfs/dbraw/zinc/51/15/87/838511587.db2.gz KUCDADZNFKOKCD-JQWIXIFHSA-N 2 2 295.387 0.314 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)C2CC[NH+](C)CC2)o1 ZINC001133288223 838590103 /nfs/dbraw/zinc/59/01/03/838590103.db2.gz SIRDJVHIODUDIJ-UHFFFAOYSA-N 2 2 295.387 0.180 20 0 CCADLP C[C@H]1C[C@@H](C[NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)CCO1 ZINC001134393010 838965015 /nfs/dbraw/zinc/96/50/15/838965015.db2.gz GCLDKHQPEHVYSJ-RYUDHWBXSA-N 2 2 280.372 0.473 20 0 CCADLP CO[C@H](C)C[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001134498474 838995097 /nfs/dbraw/zinc/99/50/97/838995097.db2.gz HVQXITSJBYJWLR-VXGBXAGGSA-N 2 2 268.361 0.575 20 0 CCADLP COC[C@H](C)[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001134517963 839000640 /nfs/dbraw/zinc/00/06/40/839000640.db2.gz YFBLQYNBJHQSBO-NWDGAFQWSA-N 2 2 268.361 0.575 20 0 CCADLP C[C@@H](C[C@H](C)[NH2+]CCO)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134549558 839003468 /nfs/dbraw/zinc/00/34/68/839003468.db2.gz TXEJYTKBOCVMNJ-QWRGUYRKSA-N 2 2 268.361 0.208 20 0 CCADLP C[C@@H](C[C@H](C)[NH2+]CCO)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134549558 839003482 /nfs/dbraw/zinc/00/34/82/839003482.db2.gz TXEJYTKBOCVMNJ-QWRGUYRKSA-N 2 2 268.361 0.208 20 0 CCADLP CO[C@H](C)C[NH2+]CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001135080608 839157818 /nfs/dbraw/zinc/15/78/18/839157818.db2.gz YBBBUOKCINARFQ-GHMZBOCLSA-N 2 2 268.361 0.329 20 0 CCADLP CO[C@H](C)C[NH2+]CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001135080608 839157824 /nfs/dbraw/zinc/15/78/24/839157824.db2.gz YBBBUOKCINARFQ-GHMZBOCLSA-N 2 2 268.361 0.329 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1nc(C(C)C)no1 ZINC001135511611 839280742 /nfs/dbraw/zinc/28/07/42/839280742.db2.gz VJTBIDXDUDWYNU-UHFFFAOYSA-N 2 2 297.403 0.741 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CCc1ccccc1 ZINC001135755594 839385463 /nfs/dbraw/zinc/38/54/63/839385463.db2.gz QLIOWHXIBNOLBC-UHFFFAOYSA-N 2 2 272.352 0.901 20 0 CCADLP CC[C@@]([NH3+])(CO)Nc1cc(N2CCOCC2)[nH+]c(C)n1 ZINC001170854564 839422095 /nfs/dbraw/zinc/42/20/95/839422095.db2.gz GCLOXNXDBYBFCJ-ZDUSSCGKSA-N 2 2 281.360 0.091 20 0 CCADLP CCOC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[NH2+]C2)CCN1 ZINC001246089261 839603094 /nfs/dbraw/zinc/60/30/94/839603094.db2.gz BXAIHDXYBGVAAM-AVGNSLFASA-N 2 2 269.389 0.402 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001185750189 844461043 /nfs/dbraw/zinc/46/10/43/844461043.db2.gz VIIXPSBNVCINCI-JHJVBQTASA-N 2 2 292.383 0.097 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[N@@H+](CC2CCC2)C[C@@H]1O ZINC001090679545 839732319 /nfs/dbraw/zinc/73/23/19/839732319.db2.gz OPIUQEYVCNIXAH-OLZOCXBDSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[N@H+](CC2CCC2)C[C@@H]1O ZINC001090679545 839732331 /nfs/dbraw/zinc/73/23/31/839732331.db2.gz OPIUQEYVCNIXAH-OLZOCXBDSA-N 2 2 292.383 0.304 20 0 CCADLP C[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1C[NH2+]C[C@@H]1CO ZINC001246299503 839775828 /nfs/dbraw/zinc/77/58/28/839775828.db2.gz LFLWTYDDNBGIBW-QKCSRTOESA-N 2 2 252.333 0.927 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1Cc2cccc(Cl)c2C1 ZINC001246306469 839777985 /nfs/dbraw/zinc/77/79/85/839777985.db2.gz KPKKXBBVTAICFK-COPLHBTASA-N 2 2 266.772 0.977 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CCC2CC2)C[C@@H]1O ZINC001090847240 839851116 /nfs/dbraw/zinc/85/11/16/839851116.db2.gz PUHXPYFNDXMIGC-KGLIPLIRSA-N 2 2 292.383 0.235 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](CCC2CC2)C[C@@H]1O ZINC001090847240 839851121 /nfs/dbraw/zinc/85/11/21/839851121.db2.gz PUHXPYFNDXMIGC-KGLIPLIRSA-N 2 2 292.383 0.235 20 0 CCADLP CC(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090851074 839854203 /nfs/dbraw/zinc/85/42/03/839854203.db2.gz YKNKZUIZEAKSMT-OLZOCXBDSA-N 2 2 280.372 0.091 20 0 CCADLP CC(C)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090851074 839854206 /nfs/dbraw/zinc/85/42/06/839854206.db2.gz YKNKZUIZEAKSMT-OLZOCXBDSA-N 2 2 280.372 0.091 20 0 CCADLP COc1nccnc1N[C@@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160509160 839950630 /nfs/dbraw/zinc/95/06/30/839950630.db2.gz OHFYAMYDAMQBDN-ZDUSSCGKSA-N 2 2 263.345 0.320 20 0 CCADLP C[NH+]1CCN(C2C[NH+](Cc3ccc4cc[nH]c4n3)C2)CC1 ZINC001144188292 839974525 /nfs/dbraw/zinc/97/45/25/839974525.db2.gz VGPQMDMPWYGENQ-UHFFFAOYSA-N 2 2 285.395 0.995 20 0 CCADLP O=C(C[N@H+]1CC[C@H](O)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001186046114 844496975 /nfs/dbraw/zinc/49/69/75/844496975.db2.gz ZGBHIVMIVAIRFV-NEPJUHHUSA-N 2 2 278.356 0.182 20 0 CCADLP O=C(C[N@@H+]1CC[C@H](O)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001186046114 844496980 /nfs/dbraw/zinc/49/69/80/844496980.db2.gz ZGBHIVMIVAIRFV-NEPJUHHUSA-N 2 2 278.356 0.182 20 0 CCADLP OC[C@@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC(F)(F)C1 ZINC001246572367 840070126 /nfs/dbraw/zinc/07/01/26/840070126.db2.gz GUNFSJULWZQYDW-QWRGUYRKSA-N 2 2 275.343 0.030 20 0 CCADLP OC[C@@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC(F)(F)C1 ZINC001246572367 840070134 /nfs/dbraw/zinc/07/01/34/840070134.db2.gz GUNFSJULWZQYDW-QWRGUYRKSA-N 2 2 275.343 0.030 20 0 CCADLP O=C(NCC1CC([NH2+]CCO)C1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001091228559 840153184 /nfs/dbraw/zinc/15/31/84/840153184.db2.gz HBBYKADPQGTPMU-MCIGGMRASA-N 2 2 292.383 0.306 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]CC1CCC1 ZINC001171237403 840176139 /nfs/dbraw/zinc/17/61/39/840176139.db2.gz ITGCRPNFOUQKOO-UHFFFAOYSA-N 2 2 264.373 0.859 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]C[C@@H]1CCCCO1 ZINC001171244339 840186734 /nfs/dbraw/zinc/18/67/34/840186734.db2.gz NMLLXVGOYRDPLB-AWEZNQCLSA-N 2 2 294.399 0.628 20 0 CCADLP C1[NH2+]CC12C[C@@H]([N@@H+]1CCC[C@@]3(CCC[NH2+]3)CC1)CCN2 ZINC001246630330 840202298 /nfs/dbraw/zinc/20/22/98/840202298.db2.gz ILSVMYWMNYAMNT-GJZGRUSLSA-N 3 2 278.444 0.689 20 0 CCADLP C1[NH2+]CC12C[C@@H]([N@H+]1CCC[C@@]3(CCC[NH2+]3)CC1)CCN2 ZINC001246630330 840202305 /nfs/dbraw/zinc/20/23/05/840202305.db2.gz ILSVMYWMNYAMNT-GJZGRUSLSA-N 3 2 278.444 0.689 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CCOC1CCC1 ZINC001149123202 840322649 /nfs/dbraw/zinc/32/26/49/840322649.db2.gz ITOXOHZOJKMAPU-UHFFFAOYSA-N 2 2 280.372 0.536 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CCC1CC1 ZINC001149122827 840328941 /nfs/dbraw/zinc/32/89/41/840328941.db2.gz CGROMUWNERFJMH-UHFFFAOYSA-N 2 2 250.346 0.767 20 0 CCADLP CC[N@H+](C)CCC(=O)NCC[NH2+][C@H](C)c1nnc(C)o1 ZINC001146711065 840351115 /nfs/dbraw/zinc/35/11/15/840351115.db2.gz NYQVCOBUBFDFTR-SNVBAGLBSA-N 2 2 283.376 0.487 20 0 CCADLP CC[N@@H+](C)CCC(=O)NCC[NH2+][C@H](C)c1nnc(C)o1 ZINC001146711065 840351126 /nfs/dbraw/zinc/35/11/26/840351126.db2.gz NYQVCOBUBFDFTR-SNVBAGLBSA-N 2 2 283.376 0.487 20 0 CCADLP C[C@H](C[C@@H](C)[NH2+]CCO)NC(=O)CCCn1cc[nH+]c1 ZINC001146715914 840351964 /nfs/dbraw/zinc/35/19/64/840351964.db2.gz WZCGDZRRGPHXJP-CHWSQXEVSA-N 2 2 282.388 0.529 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CCC1CCOCC1 ZINC001149123650 840517066 /nfs/dbraw/zinc/51/70/66/840517066.db2.gz MZRKXLVAOINCJK-UHFFFAOYSA-N 2 2 294.399 0.783 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC001186496567 844552602 /nfs/dbraw/zinc/55/26/02/844552602.db2.gz LRAOIAVOGWBVKB-LLVKDONJSA-N 2 2 297.428 0.570 20 0 CCADLP COCCCCC[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147877422 840711430 /nfs/dbraw/zinc/71/14/30/840711430.db2.gz JUKPZLDYMUKNMI-UHFFFAOYSA-N 2 2 282.388 0.485 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)C[C@@H]2CC[N@H+](C)C2)o1 ZINC001147877042 840711882 /nfs/dbraw/zinc/71/18/82/840711882.db2.gz DFCFNRFRNXAWPM-LBPRGKRZSA-N 2 2 294.399 0.785 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)o1 ZINC001147877042 840711889 /nfs/dbraw/zinc/71/18/89/840711889.db2.gz DFCFNRFRNXAWPM-LBPRGKRZSA-N 2 2 294.399 0.785 20 0 CCADLP Cc1noc([C@H](C)[NH2+]CCNC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001147900736 840719419 /nfs/dbraw/zinc/71/94/19/840719419.db2.gz VBALNUQKKAQGEO-JQWIXIFHSA-N 2 2 295.387 0.487 20 0 CCADLP Cc1noc([C@H](C)[NH2+]CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001147900736 840719428 /nfs/dbraw/zinc/71/94/28/840719428.db2.gz VBALNUQKKAQGEO-JQWIXIFHSA-N 2 2 295.387 0.487 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)NCC[NH2+]Cc1ccon1 ZINC001148051206 840735659 /nfs/dbraw/zinc/73/56/59/840735659.db2.gz CAMBLRKUBYBGPJ-UHFFFAOYSA-N 2 2 289.339 0.655 20 0 CCADLP Cn1cc[nH+]c1CCNC(=O)c1ccc(NC(N)=[NH2+])cc1 ZINC001148656555 840861100 /nfs/dbraw/zinc/86/11/00/840861100.db2.gz YAWCQNUUEVHBNH-UHFFFAOYSA-N 2 2 286.339 0.698 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1nc(C)no1 ZINC001148655628 840869472 /nfs/dbraw/zinc/86/94/72/840869472.db2.gz QENRZBIBDRUKMJ-JTQLQIEISA-N 2 2 283.376 0.487 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1nc(C)no1 ZINC001148655628 840869478 /nfs/dbraw/zinc/86/94/78/840869478.db2.gz QENRZBIBDRUKMJ-JTQLQIEISA-N 2 2 283.376 0.487 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1OCC ZINC001087059022 840957560 /nfs/dbraw/zinc/95/75/60/840957560.db2.gz MQTOOWXQRYSIEK-TZMCWYRMSA-N 2 2 294.399 0.815 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1OCC ZINC001087059022 840957563 /nfs/dbraw/zinc/95/75/63/840957563.db2.gz MQTOOWXQRYSIEK-TZMCWYRMSA-N 2 2 294.399 0.815 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2[C@H](CC[N@H+]2CCO)C1 ZINC001036786636 841218358 /nfs/dbraw/zinc/21/83/58/841218358.db2.gz YOPOPNQPNODPNW-KGLIPLIRSA-N 2 2 292.383 0.188 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2[C@H](CC[N@@H+]2CCO)C1 ZINC001036786636 841218365 /nfs/dbraw/zinc/21/83/65/841218365.db2.gz YOPOPNQPNODPNW-KGLIPLIRSA-N 2 2 292.383 0.188 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CC(=O)N(CC2CC2)C1 ZINC000716774861 841679883 /nfs/dbraw/zinc/67/98/83/841679883.db2.gz XFHPCQFOFQPKTE-DRZSPHRISA-N 2 2 251.374 0.727 20 0 CCADLP C[NH+]1CCC(CO)([NH2+][C@@H]2CCN(C3CC3)C(=O)C2)CC1 ZINC001172008861 841788591 /nfs/dbraw/zinc/78/85/91/841788591.db2.gz UIJQAZOTLCAFDH-GFCCVEGCSA-N 2 2 281.400 0.186 20 0 CCADLP CCOC(=O)[C@H](CCC[NH3+])[NH2+][C@H]1CCN(CC)C(=O)C1 ZINC001172027786 841806242 /nfs/dbraw/zinc/80/62/42/841806242.db2.gz FPLGSRPKRQAGOA-RYUDHWBXSA-N 2 2 285.388 0.258 20 0 CCADLP C[C@@H]1CNC(=O)C[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128265 841836845 /nfs/dbraw/zinc/83/68/45/841836845.db2.gz QNIINTNPSOYEQY-NDBYEHHHSA-N 2 2 251.374 0.822 20 0 CCADLP C[C@@H]1CNC(=O)C[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128265 841836853 /nfs/dbraw/zinc/83/68/53/841836853.db2.gz QNIINTNPSOYEQY-NDBYEHHHSA-N 2 2 251.374 0.822 20 0 CCADLP C[C@@H]1CNC(=O)C[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172128265 841836856 /nfs/dbraw/zinc/83/68/56/841836856.db2.gz QNIINTNPSOYEQY-NDBYEHHHSA-N 2 2 251.374 0.822 20 0 CCADLP C[C@@H]1CNC(=O)C[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172128265 841836863 /nfs/dbraw/zinc/83/68/63/841836863.db2.gz QNIINTNPSOYEQY-NDBYEHHHSA-N 2 2 251.374 0.822 20 0 CCADLP C[NH+](C)CCC[N@H+](CCC[NH3+])[C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172153003 841865118 /nfs/dbraw/zinc/86/51/18/841865118.db2.gz DKNONRVQDYNWIR-HUUCEWRRSA-N 3 2 296.459 0.742 20 0 CCADLP C[NH+](C)CCC[N@@H+](CCC[NH3+])[C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172153003 841865128 /nfs/dbraw/zinc/86/51/28/841865128.db2.gz DKNONRVQDYNWIR-HUUCEWRRSA-N 3 2 296.459 0.742 20 0 CCADLP Cn1cc[nH+]c1CC[NH2+][C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172166692 841877902 /nfs/dbraw/zinc/87/79/02/841877902.db2.gz QTOMKGKJJVYHOB-NEPJUHHUSA-N 2 2 262.357 0.706 20 0 CCADLP COCCC[NH+]1CCC([N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)CC1 ZINC001172253613 841912819 /nfs/dbraw/zinc/91/28/19/841912819.db2.gz WXAMEAZKDDUVEK-GASCZTMLSA-N 3 2 281.444 0.981 20 0 CCADLP COCCC[NH+]1CCC([NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)CC1 ZINC001172253613 841912844 /nfs/dbraw/zinc/91/28/44/841912844.db2.gz WXAMEAZKDDUVEK-GASCZTMLSA-N 3 2 281.444 0.981 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]CC1CC1 ZINC001174682808 842199405 /nfs/dbraw/zinc/19/94/05/842199405.db2.gz NTYLWXHUYCMWII-UHFFFAOYSA-N 2 2 250.346 0.767 20 0 CCADLP C[C@@H](O)CCC[NH2+]CCCNC(=O)CCc1c[nH+]cn1C ZINC001175003931 842224014 /nfs/dbraw/zinc/22/40/14/842224014.db2.gz XKJKLBXYGCDSMD-CYBMUJFWSA-N 2 2 296.415 0.610 20 0 CCADLP Cc1noc(C[NH2+]CCCNC(=O)Cn2cc[nH+]c2C)n1 ZINC001176125886 842330793 /nfs/dbraw/zinc/33/07/93/842330793.db2.gz OMHSDVUPRLMOPV-UHFFFAOYSA-N 2 2 292.343 0.179 20 0 CCADLP [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001176836773 842423896 /nfs/dbraw/zinc/42/38/96/842423896.db2.gz VWTDJPCKSAKPET-AWEZNQCLSA-N 2 2 270.336 0.864 20 0 CCADLP COCCN(C(=O)CCn1cc[nH+]c1)C1CC[NH+](C)CC1 ZINC001176877630 842436923 /nfs/dbraw/zinc/43/69/23/842436923.db2.gz JLHJARHPGXLHNY-UHFFFAOYSA-N 2 2 294.399 0.842 20 0 CCADLP Cc1cccnc1C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177400921 842575595 /nfs/dbraw/zinc/57/55/95/842575595.db2.gz OEIDJILLYVKIHA-UHFFFAOYSA-N 2 2 287.367 0.883 20 0 CCADLP Cc1ncc(C[NH3+])c(=N)n1C(=O)CN(C)c1cccc[nH+]1 ZINC001177414071 842586227 /nfs/dbraw/zinc/58/62/27/842586227.db2.gz QZCGXVGUVDDECM-UHFFFAOYSA-N 2 2 286.339 0.301 20 0 CCADLP CCCCOCC[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177414930 842588107 /nfs/dbraw/zinc/58/81/07/842588107.db2.gz LGBDLGNYZFNVDL-UHFFFAOYSA-N 2 2 282.388 0.796 20 0 CCADLP C[C@H](C(=O)N1C[C@H]2CCC[N@H+](C)[C@@H]2C1)n1cc[nH+]c1 ZINC001177925457 842711465 /nfs/dbraw/zinc/71/14/65/842711465.db2.gz JQYCANFCQAKEAP-JHJVBQTASA-N 2 2 262.357 0.997 20 0 CCADLP C[C@H](C(=O)N1C[C@H]2CCC[N@@H+](C)[C@@H]2C1)n1cc[nH+]c1 ZINC001177925457 842711470 /nfs/dbraw/zinc/71/14/70/842711470.db2.gz JQYCANFCQAKEAP-JHJVBQTASA-N 2 2 262.357 0.997 20 0 CCADLP CC[C@H](C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C)OC ZINC001179783345 843050679 /nfs/dbraw/zinc/05/06/79/843050679.db2.gz JWDOGNSLJFKEOC-XQQFMLRXSA-N 2 2 294.399 0.956 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@H]1C ZINC001180032807 843099583 /nfs/dbraw/zinc/09/95/83/843099583.db2.gz GSXKHDKSEHRVKE-JSGCOSHPSA-N 2 2 294.399 0.578 20 0 CCADLP Cc1c[nH]c(CCNC(=O)[C@@H](C)[NH+]2CCCC2)[nH+]1 ZINC001180586300 843220743 /nfs/dbraw/zinc/22/07/43/843220743.db2.gz VUHXIIXVCOGQKW-LLVKDONJSA-N 2 2 250.346 0.861 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)C[N@H+](C)C2CCCC2)c1 ZINC001180629639 843235782 /nfs/dbraw/zinc/23/57/82/843235782.db2.gz RPUIEJKUWNOQCV-UHFFFAOYSA-N 2 2 264.373 0.953 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)C[N@@H+](C)C2CCCC2)c1 ZINC001180629639 843235791 /nfs/dbraw/zinc/23/57/91/843235791.db2.gz RPUIEJKUWNOQCV-UHFFFAOYSA-N 2 2 264.373 0.953 20 0 CCADLP O=C(NCC1([NH+]2CCCC2)COC1)C12CC[NH+](CC1)CC2 ZINC001181552170 843523184 /nfs/dbraw/zinc/52/31/84/843523184.db2.gz OEOWWUPBKPPUCF-UHFFFAOYSA-N 2 2 293.411 0.453 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2nnc(C3CC3)o2)C1 ZINC001151048478 843530521 /nfs/dbraw/zinc/53/05/21/843530521.db2.gz BIYNJHALIONCFW-NSHDSACASA-N 2 2 293.371 0.105 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2nnc(C3CC3)o2)C1 ZINC001151048478 843530527 /nfs/dbraw/zinc/53/05/27/843530527.db2.gz BIYNJHALIONCFW-NSHDSACASA-N 2 2 293.371 0.105 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001151066565 843629453 /nfs/dbraw/zinc/62/94/53/843629453.db2.gz WKSAHYOMXKBYGC-GXSJLCMTSA-N 2 2 281.360 0.097 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001151066565 843629454 /nfs/dbraw/zinc/62/94/54/843629454.db2.gz WKSAHYOMXKBYGC-GXSJLCMTSA-N 2 2 281.360 0.097 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1)c1csnn1 ZINC001151066794 843631326 /nfs/dbraw/zinc/63/13/26/843631326.db2.gz YWSZKDMVHYBRCS-ZJUUUORDSA-N 2 2 283.401 0.257 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1)c1csnn1 ZINC001151066794 843631333 /nfs/dbraw/zinc/63/13/33/843631333.db2.gz YWSZKDMVHYBRCS-ZJUUUORDSA-N 2 2 283.401 0.257 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001182000146 843671215 /nfs/dbraw/zinc/67/12/15/843671215.db2.gz IEBOFIKVIAOSOB-ZDUSSCGKSA-N 2 2 281.400 0.309 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001182000146 843671219 /nfs/dbraw/zinc/67/12/19/843671219.db2.gz IEBOFIKVIAOSOB-ZDUSSCGKSA-N 2 2 281.400 0.309 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2cnc(C3CC3)s2)C[C@@H]1O ZINC001206536050 843898045 /nfs/dbraw/zinc/89/80/45/843898045.db2.gz WVFUCRFPDZSKAH-ONGXEEELSA-N 2 2 253.371 0.772 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2cnc(C3CC3)s2)C[C@@H]1O ZINC001206536050 843898058 /nfs/dbraw/zinc/89/80/58/843898058.db2.gz WVFUCRFPDZSKAH-ONGXEEELSA-N 2 2 253.371 0.772 20 0 CCADLP C[C@H](O)C[NH2+]C[C@]1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001182741600 843911763 /nfs/dbraw/zinc/91/17/63/843911763.db2.gz QGKYJYOFOXHQDF-TYNCELHUSA-N 2 2 294.399 0.407 20 0 CCADLP COc1c(C)ccc(F)c1C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206542226 843924493 /nfs/dbraw/zinc/92/44/93/843924493.db2.gz VPNYLXZTKHCFLP-GWCFXTLKSA-N 2 2 268.332 0.894 20 0 CCADLP COc1c(C)ccc(F)c1C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206542226 843924498 /nfs/dbraw/zinc/92/44/98/843924498.db2.gz VPNYLXZTKHCFLP-GWCFXTLKSA-N 2 2 268.332 0.894 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001187091599 844649454 /nfs/dbraw/zinc/64/94/54/844649454.db2.gz IXNULINPVBYHKX-VXGBXAGGSA-N 2 2 294.399 0.913 20 0 CCADLP CCOCCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001187421235 844723308 /nfs/dbraw/zinc/72/33/08/844723308.db2.gz YHOGANRHEFLLAV-CYBMUJFWSA-N 2 2 294.399 0.878 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC001188145755 844836241 /nfs/dbraw/zinc/83/62/41/844836241.db2.gz NGLSAPZNOJQVSX-LLVKDONJSA-N 2 2 297.428 0.569 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC001188145755 844836242 /nfs/dbraw/zinc/83/62/42/844836242.db2.gz NGLSAPZNOJQVSX-LLVKDONJSA-N 2 2 297.428 0.569 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2cscn2)C1 ZINC001151740871 845004909 /nfs/dbraw/zinc/00/49/09/845004909.db2.gz YXOAYEQZFLOAAV-GFCCVEGCSA-N 2 2 298.412 0.070 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2cscn2)C1 ZINC001151740871 845004921 /nfs/dbraw/zinc/00/49/21/845004921.db2.gz YXOAYEQZFLOAAV-GFCCVEGCSA-N 2 2 298.412 0.070 20 0 CCADLP COCCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001190480535 845404170 /nfs/dbraw/zinc/40/41/70/845404170.db2.gz BKPCQOXYXPQQBO-UONOGXRCSA-N 2 2 292.383 0.452 20 0 CCADLP COCCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001190480535 845404173 /nfs/dbraw/zinc/40/41/73/845404173.db2.gz BKPCQOXYXPQQBO-UONOGXRCSA-N 2 2 292.383 0.452 20 0 CCADLP COC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192561127 845872016 /nfs/dbraw/zinc/87/20/16/845872016.db2.gz XPEFIBWJDMJUHN-WCQYABFASA-N 2 2 280.372 0.520 20 0 CCADLP COC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192561127 845872019 /nfs/dbraw/zinc/87/20/19/845872019.db2.gz XPEFIBWJDMJUHN-WCQYABFASA-N 2 2 280.372 0.520 20 0 CCADLP CO[C@H](C)C[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001193460412 846081051 /nfs/dbraw/zinc/08/10/51/846081051.db2.gz CBHIXERQSWKGEE-OLZOCXBDSA-N 2 2 294.399 0.530 20 0 CCADLP CO[C@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001193460412 846081057 /nfs/dbraw/zinc/08/10/57/846081057.db2.gz CBHIXERQSWKGEE-OLZOCXBDSA-N 2 2 294.399 0.530 20 0 CCADLP CCOCC[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001193463474 846081778 /nfs/dbraw/zinc/08/17/78/846081778.db2.gz VAASAFAZIFQGEK-ZDUSSCGKSA-N 2 2 294.399 0.532 20 0 CCADLP CCOCC[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001193463474 846081788 /nfs/dbraw/zinc/08/17/88/846081788.db2.gz VAASAFAZIFQGEK-ZDUSSCGKSA-N 2 2 294.399 0.532 20 0 CCADLP CCOCC[N@H+](C)[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193706431 846147606 /nfs/dbraw/zinc/14/76/06/846147606.db2.gz XYRRVMQTWZXWBS-ZDUSSCGKSA-N 2 2 294.399 0.830 20 0 CCADLP CCOCC[N@@H+](C)[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193706431 846147610 /nfs/dbraw/zinc/14/76/10/846147610.db2.gz XYRRVMQTWZXWBS-ZDUSSCGKSA-N 2 2 294.399 0.830 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH2+]Cc1ncccn1 ZINC001152138112 846383124 /nfs/dbraw/zinc/38/31/24/846383124.db2.gz RTMJGPXFRZFOJK-BETUJISGSA-N 2 2 291.399 0.555 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH2+]Cc1ncccn1 ZINC001152138112 846383136 /nfs/dbraw/zinc/38/31/36/846383136.db2.gz RTMJGPXFRZFOJK-BETUJISGSA-N 2 2 291.399 0.555 20 0 CCADLP O=C(CCC[NH+]1CCCC1)NCC[NH2+]Cc1nncs1 ZINC001152236538 846602356 /nfs/dbraw/zinc/60/23/56/846602356.db2.gz AZIXBFFMOULTOJ-UHFFFAOYSA-N 2 2 297.428 0.620 20 0 CCADLP C[C@@H](CC(=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1O)n1cc[nH+]c1 ZINC001196500372 846764168 /nfs/dbraw/zinc/76/41/68/846764168.db2.gz SOAQAQCEYORXTM-YNEHKIRRSA-N 2 2 298.362 0.355 20 0 CCADLP C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O)n1cc[nH+]c1 ZINC001196500372 846764174 /nfs/dbraw/zinc/76/41/74/846764174.db2.gz SOAQAQCEYORXTM-YNEHKIRRSA-N 2 2 298.362 0.355 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001152457439 847120522 /nfs/dbraw/zinc/12/05/22/847120522.db2.gz DTKAQXCYACKGBK-GFCCVEGCSA-N 2 2 281.360 0.150 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001152457439 847120529 /nfs/dbraw/zinc/12/05/29/847120529.db2.gz DTKAQXCYACKGBK-GFCCVEGCSA-N 2 2 281.360 0.150 20 0 CCADLP C[NH+]1CCN(c2cc[nH+]cc2C(=O)NCC(F)F)CC1 ZINC001199356402 847299168 /nfs/dbraw/zinc/29/91/68/847299168.db2.gz WYWLHZVPVKEXBZ-UHFFFAOYSA-N 2 2 284.310 0.828 20 0 CCADLP C[NH+]1CCN(c2cc[nH+]cc2C(=O)N[C@@H]2C[C@H]2F)CC1 ZINC001199361648 847309802 /nfs/dbraw/zinc/30/98/02/847309802.db2.gz SKNCCUHRHSJICA-VXGBXAGGSA-N 2 2 278.331 0.674 20 0 CCADLP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001199398320 847321179 /nfs/dbraw/zinc/32/11/79/847321179.db2.gz OKFKKUWSBQCCHM-CHWSQXEVSA-N 2 2 280.372 0.233 20 0 CCADLP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001199398320 847321169 /nfs/dbraw/zinc/32/11/69/847321169.db2.gz OKFKKUWSBQCCHM-CHWSQXEVSA-N 2 2 280.372 0.233 20 0 CCADLP COC[C@@H](C)[NH2+]CCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001152619204 847345248 /nfs/dbraw/zinc/34/52/48/847345248.db2.gz YSVITHUOFGWGOP-OCCSQVGLSA-N 2 2 294.399 0.425 20 0 CCADLP COC[C@H](C)[NH2+]CCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001152619203 847346149 /nfs/dbraw/zinc/34/61/49/847346149.db2.gz YSVITHUOFGWGOP-JSGCOSHPSA-N 2 2 294.399 0.425 20 0 CCADLP CN1C(=O)C[C@]2(CCC[N@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001273784809 847401959 /nfs/dbraw/zinc/40/19/59/847401959.db2.gz JMIIHXMEYYCKRR-AWEZNQCLSA-N 2 2 276.340 0.354 20 0 CCADLP CN1C(=O)C[C@]2(CCC[N@@H+](CCn3cc[nH+]c3)C2)C1=O ZINC001273784809 847401964 /nfs/dbraw/zinc/40/19/64/847401964.db2.gz JMIIHXMEYYCKRR-AWEZNQCLSA-N 2 2 276.340 0.354 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCCO[C@@H](C[NH2+]CCF)C1 ZINC001201857471 847817488 /nfs/dbraw/zinc/81/74/88/847817488.db2.gz UXNOESBPWIJWBS-ZDUSSCGKSA-N 2 2 298.362 0.139 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CCCO1 ZINC001202208103 847867344 /nfs/dbraw/zinc/86/73/44/847867344.db2.gz IFGGVMUEJPBGGN-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2)sc1C ZINC001153487814 848010831 /nfs/dbraw/zinc/01/08/31/848010831.db2.gz RIWSMPRXKCFQBB-UHFFFAOYSA-N 2 2 293.396 0.862 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]C1(C(=O)N(C)C)CCC1 ZINC001253214118 848161101 /nfs/dbraw/zinc/16/11/01/848161101.db2.gz NRENBRADMAWZOL-GFCCVEGCSA-N 2 2 271.405 0.290 20 0 CCADLP COC[C@@H](C)[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001202674957 848208696 /nfs/dbraw/zinc/20/86/96/848208696.db2.gz WEUHESVYNSEXFA-LLVKDONJSA-N 2 2 280.372 0.568 20 0 CCADLP C[C@H](C[NH2+]CC1CC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001274781141 848566826 /nfs/dbraw/zinc/56/68/26/848566826.db2.gz QLKMRJAGNIPIQX-SNVBAGLBSA-N 2 2 250.346 0.847 20 0 CCADLP C[C@H](C[NH2+]CC1CC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001274781141 848566827 /nfs/dbraw/zinc/56/68/27/848566827.db2.gz QLKMRJAGNIPIQX-SNVBAGLBSA-N 2 2 250.346 0.847 20 0 CCADLP C[N@H+]1C[C@H]2CN(Cc3[nH+]cn4ccccc34)C[C@@H](C1)O2 ZINC001275138276 848648157 /nfs/dbraw/zinc/64/81/57/848648157.db2.gz BYDFFCIYLHABJX-BETUJISGSA-N 2 2 272.352 0.849 20 0 CCADLP C[N@@H+]1C[C@H]2CN(Cc3[nH+]cn4ccccc34)C[C@@H](C1)O2 ZINC001275138276 848648163 /nfs/dbraw/zinc/64/81/63/848648163.db2.gz BYDFFCIYLHABJX-BETUJISGSA-N 2 2 272.352 0.849 20 0 CCADLP CCOCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001275208641 848666653 /nfs/dbraw/zinc/66/66/53/848666653.db2.gz MAYWPNRCRMVPDU-STQMWFEESA-N 2 2 294.399 0.576 20 0 CCADLP Cc1cncc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)n1 ZINC001275223799 848672109 /nfs/dbraw/zinc/67/21/09/848672109.db2.gz YOWADNOEDZMMRF-IYBDPMFKSA-N 2 2 289.427 0.995 20 0 CCADLP Cc1cncc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)n1 ZINC001275223799 848672112 /nfs/dbraw/zinc/67/21/12/848672112.db2.gz YOWADNOEDZMMRF-IYBDPMFKSA-N 2 2 289.427 0.995 20 0 CCADLP C[C@H](C[N@H+](C)CC1CC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001275666486 848787593 /nfs/dbraw/zinc/78/75/93/848787593.db2.gz XYGOZJBIDRGSHR-SNVBAGLBSA-N 2 2 250.346 0.799 20 0 CCADLP C[C@H](C[N@@H+](C)CC1CC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001275666486 848787602 /nfs/dbraw/zinc/78/76/02/848787602.db2.gz XYGOZJBIDRGSHR-SNVBAGLBSA-N 2 2 250.346 0.799 20 0 CCADLP C[C@@H](C[N@H+](C)CCO)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001275673051 848788882 /nfs/dbraw/zinc/78/88/82/848788882.db2.gz ONVIBYPCPCNFCU-QWRGUYRKSA-N 2 2 268.361 0.017 20 0 CCADLP C[C@@H](C[N@@H+](C)CCO)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001275673051 848788884 /nfs/dbraw/zinc/78/88/84/848788884.db2.gz ONVIBYPCPCNFCU-QWRGUYRKSA-N 2 2 268.361 0.017 20 0 CCADLP C[C@@H](C[N@H+](C)CCO)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001275673051 848788885 /nfs/dbraw/zinc/78/88/85/848788885.db2.gz ONVIBYPCPCNFCU-QWRGUYRKSA-N 2 2 268.361 0.017 20 0 CCADLP C[C@@H](C[N@@H+](C)CCO)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001275673051 848788887 /nfs/dbraw/zinc/78/88/87/848788887.db2.gz ONVIBYPCPCNFCU-QWRGUYRKSA-N 2 2 268.361 0.017 20 0 CCADLP Cc1nc(N(C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C)cc[nH+]1 ZINC001100306707 849011153 /nfs/dbraw/zinc/01/11/53/849011153.db2.gz YYDCZWYFMCEBMW-CQSZACIVSA-N 2 2 293.415 0.924 20 0 CCADLP CCc1nc(N2CC[N@H+](C)[C@H](CO)C2)cc(C)[nH+]1 ZINC000687589595 849109891 /nfs/dbraw/zinc/10/98/91/849109891.db2.gz WMSQUADEQYVTLJ-NSHDSACASA-N 2 2 250.346 0.460 20 0 CCADLP CCc1nc(N2CC[N@@H+](C)[C@H](CO)C2)cc(C)[nH+]1 ZINC000687589595 849109900 /nfs/dbraw/zinc/10/99/00/849109900.db2.gz WMSQUADEQYVTLJ-NSHDSACASA-N 2 2 250.346 0.460 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@H]1COC2(CCC2)C1)C1CC1 ZINC000688271886 849165503 /nfs/dbraw/zinc/16/55/03/849165503.db2.gz KHLXMQAIYCAWKP-YPMHNXCESA-N 2 2 254.374 0.743 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1COC2(CCC2)C1)C1CC1 ZINC000688271886 849165505 /nfs/dbraw/zinc/16/55/05/849165505.db2.gz KHLXMQAIYCAWKP-YPMHNXCESA-N 2 2 254.374 0.743 20 0 CCADLP c1cn(CC[N@@H+]2C[C@H]3C[C@@H](C2)N(Cc2cncnc2)C3)c[nH+]1 ZINC001276302591 849189924 /nfs/dbraw/zinc/18/99/24/849189924.db2.gz OMGMMTNDWNLPBO-ZBFHGGJFSA-N 2 2 298.394 0.879 20 0 CCADLP c1cn(CC[N@H+]2C[C@H]3C[C@@H](C2)N(Cc2cncnc2)C3)c[nH+]1 ZINC001276302591 849189927 /nfs/dbraw/zinc/18/99/27/849189927.db2.gz OMGMMTNDWNLPBO-ZBFHGGJFSA-N 2 2 298.394 0.879 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000300259657 849366443 /nfs/dbraw/zinc/36/64/43/849366443.db2.gz KOTVXYOIBSFDQG-AVGNSLFASA-N 2 2 260.378 0.212 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[N@H+]1CCCC[C@H]1C[NH3+] ZINC000300259657 849366451 /nfs/dbraw/zinc/36/64/51/849366451.db2.gz KOTVXYOIBSFDQG-AVGNSLFASA-N 2 2 260.378 0.212 20 0 CCADLP COCCOC[C@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000720482499 849473805 /nfs/dbraw/zinc/47/38/05/849473805.db2.gz RGVRRCUJHBIQBJ-MGPQQGTHSA-N 2 2 272.389 0.179 20 0 CCADLP COCCOC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000720482499 849473804 /nfs/dbraw/zinc/47/38/04/849473804.db2.gz RGVRRCUJHBIQBJ-MGPQQGTHSA-N 2 2 272.389 0.179 20 0 CCADLP COCCOC[C@H](O)C[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000720482499 849473809 /nfs/dbraw/zinc/47/38/09/849473809.db2.gz RGVRRCUJHBIQBJ-MGPQQGTHSA-N 2 2 272.389 0.179 20 0 CCADLP COCCOC[C@H](O)C[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000720482499 849473813 /nfs/dbraw/zinc/47/38/13/849473813.db2.gz RGVRRCUJHBIQBJ-MGPQQGTHSA-N 2 2 272.389 0.179 20 0 CCADLP CC[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1[NH2+]CCO ZINC001037855646 849598569 /nfs/dbraw/zinc/59/85/69/849598569.db2.gz WFVLZMGJZMMYOB-JSGCOSHPSA-N 2 2 294.399 0.551 20 0 CCADLP CC[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CCO ZINC001037855646 849598572 /nfs/dbraw/zinc/59/85/72/849598572.db2.gz WFVLZMGJZMMYOB-JSGCOSHPSA-N 2 2 294.399 0.551 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001038347439 849861503 /nfs/dbraw/zinc/86/15/03/849861503.db2.gz WGVOMZNGCPTKQR-NWDGAFQWSA-N 2 2 262.357 0.971 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001038347439 849861509 /nfs/dbraw/zinc/86/15/09/849861509.db2.gz WGVOMZNGCPTKQR-NWDGAFQWSA-N 2 2 262.357 0.971 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@]2(C1)CCC[N@H+](CCO)C2 ZINC001040552812 850301431 /nfs/dbraw/zinc/30/14/31/850301431.db2.gz PGSUARBKINQNIN-HNNXBMFYSA-N 2 2 292.383 0.190 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@]2(C1)CCC[N@@H+](CCO)C2 ZINC001040552812 850301416 /nfs/dbraw/zinc/30/14/16/850301416.db2.gz PGSUARBKINQNIN-HNNXBMFYSA-N 2 2 292.383 0.190 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001041344259 850434905 /nfs/dbraw/zinc/43/49/05/850434905.db2.gz PYZROVFUHSOPNH-HNNXBMFYSA-N 2 2 292.383 0.259 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001041344259 850434909 /nfs/dbraw/zinc/43/49/09/850434909.db2.gz PYZROVFUHSOPNH-HNNXBMFYSA-N 2 2 292.383 0.259 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001041344259 850434916 /nfs/dbraw/zinc/43/49/16/850434916.db2.gz PYZROVFUHSOPNH-HNNXBMFYSA-N 2 2 292.383 0.259 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001041344259 850434921 /nfs/dbraw/zinc/43/49/21/850434921.db2.gz PYZROVFUHSOPNH-HNNXBMFYSA-N 2 2 292.383 0.259 20 0 CCADLP CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1C[NH+](CCC(C)(C)C)C1 ZINC001042573833 850699550 /nfs/dbraw/zinc/69/95/50/850699550.db2.gz VMNTWPBHNHKSQF-CQSZACIVSA-N 2 2 297.443 0.896 20 0 CCADLP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1C[NH+](CCC(C)(C)C)C1 ZINC001042573833 850699553 /nfs/dbraw/zinc/69/95/53/850699553.db2.gz VMNTWPBHNHKSQF-CQSZACIVSA-N 2 2 297.443 0.896 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001042718935 850742573 /nfs/dbraw/zinc/74/25/73/850742573.db2.gz XQGBDBXKFIAMTR-KBPBESRZSA-N 2 2 295.427 0.650 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001042718935 850742574 /nfs/dbraw/zinc/74/25/74/850742574.db2.gz XQGBDBXKFIAMTR-KBPBESRZSA-N 2 2 295.427 0.650 20 0 CCADLP CC[C@H](C)C[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001043068168 850806584 /nfs/dbraw/zinc/80/65/84/850806584.db2.gz XOJFCEKMASNMKJ-GZBFAFLISA-N 2 2 297.443 0.894 20 0 CCADLP CC[C@H](C)C[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001043068168 850806592 /nfs/dbraw/zinc/80/65/92/850806592.db2.gz XOJFCEKMASNMKJ-GZBFAFLISA-N 2 2 297.443 0.894 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N(C)C2C[NH+](CCCF)C2)C1 ZINC001043876186 850953761 /nfs/dbraw/zinc/95/37/61/850953761.db2.gz ONMYHNRVMJVOPG-LBPRGKRZSA-N 2 2 271.380 0.830 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N(C)C2C[NH+](CCCF)C2)C1 ZINC001043876186 850953766 /nfs/dbraw/zinc/95/37/66/850953766.db2.gz ONMYHNRVMJVOPG-LBPRGKRZSA-N 2 2 271.380 0.830 20 0 CCADLP C[C@H](O)C[NH+]1CC(N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001043878237 850953845 /nfs/dbraw/zinc/95/38/45/850953845.db2.gz CUYBJLDEEUAXAY-LBPRGKRZSA-N 2 2 283.416 0.242 20 0 CCADLP C[C@H](O)C[NH+]1CC(N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001043878237 850953848 /nfs/dbraw/zinc/95/38/48/850953848.db2.gz CUYBJLDEEUAXAY-LBPRGKRZSA-N 2 2 283.416 0.242 20 0 CCADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](C[C@@H](C)O)C1 ZINC001044005585 850982906 /nfs/dbraw/zinc/98/29/06/850982906.db2.gz DTZIPKVFAUSEFE-HIFRSBDPSA-N 2 2 297.443 0.773 20 0 CCADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](C[C@@H](C)O)C1 ZINC001044005585 850982910 /nfs/dbraw/zinc/98/29/10/850982910.db2.gz DTZIPKVFAUSEFE-HIFRSBDPSA-N 2 2 297.443 0.773 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]2C[NH2+]CC2CCC2)C1 ZINC001044972762 851196270 /nfs/dbraw/zinc/19/62/70/851196270.db2.gz AWXQZZFABDBVOO-GJZGRUSLSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]2C[NH2+]CC2CCC2)C1 ZINC001044972762 851196279 /nfs/dbraw/zinc/19/62/79/851196279.db2.gz AWXQZZFABDBVOO-GJZGRUSLSA-N 2 2 295.427 0.698 20 0 CCADLP COC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001049082940 852158763 /nfs/dbraw/zinc/15/87/63/852158763.db2.gz NBGMIBVHULDQHM-RWMBFGLXSA-N 2 2 292.383 0.377 20 0 CCADLP COC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001049082940 852158771 /nfs/dbraw/zinc/15/87/71/852158771.db2.gz NBGMIBVHULDQHM-RWMBFGLXSA-N 2 2 292.383 0.377 20 0 CCADLP CCC[N@H+]1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001049130919 852173952 /nfs/dbraw/zinc/17/39/52/852173952.db2.gz AXCRAIHJWKWSPU-TXEJJXNPSA-N 2 2 262.357 0.752 20 0 CCADLP CCC[N@@H+]1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001049130919 852173954 /nfs/dbraw/zinc/17/39/54/852173954.db2.gz AXCRAIHJWKWSPU-TXEJJXNPSA-N 2 2 262.357 0.752 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2C1 ZINC001049131472 852174337 /nfs/dbraw/zinc/17/43/37/852174337.db2.gz OJOSXTPRGGGBCT-BETUJISGSA-N 2 2 274.368 0.752 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2C[N@H+](CC3CC3)C[C@@H]2C1 ZINC001049131472 852174345 /nfs/dbraw/zinc/17/43/45/852174345.db2.gz OJOSXTPRGGGBCT-BETUJISGSA-N 2 2 274.368 0.752 20 0 CCADLP CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001049390578 852257404 /nfs/dbraw/zinc/25/74/04/852257404.db2.gz BYULIAKSMFZBRN-RRFJBIMHSA-N 2 2 295.427 0.792 20 0 CCADLP CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001049390578 852257417 /nfs/dbraw/zinc/25/74/17/852257417.db2.gz BYULIAKSMFZBRN-RRFJBIMHSA-N 2 2 295.427 0.792 20 0 CCADLP CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001049390578 852257429 /nfs/dbraw/zinc/25/74/29/852257429.db2.gz BYULIAKSMFZBRN-RRFJBIMHSA-N 2 2 295.427 0.792 20 0 CCADLP CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001049390578 852257440 /nfs/dbraw/zinc/25/74/40/852257440.db2.gz BYULIAKSMFZBRN-RRFJBIMHSA-N 2 2 295.427 0.792 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]2[C@H]1CC[N@H+]2CCO ZINC001049751343 852367174 /nfs/dbraw/zinc/36/71/74/852367174.db2.gz TZBUMUOMWORHEX-QWHCGFSZSA-N 2 2 278.356 0.010 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCO ZINC001049751343 852367185 /nfs/dbraw/zinc/36/71/85/852367185.db2.gz TZBUMUOMWORHEX-QWHCGFSZSA-N 2 2 278.356 0.010 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCO ZINC001049867798 852389446 /nfs/dbraw/zinc/38/94/46/852389446.db2.gz PHMLHIOSXJRWOJ-KGLIPLIRSA-N 2 2 292.383 0.318 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCO ZINC001049867798 852389453 /nfs/dbraw/zinc/38/94/53/852389453.db2.gz PHMLHIOSXJRWOJ-KGLIPLIRSA-N 2 2 292.383 0.318 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](CC)[NH+](C)C)CCO2 ZINC001053306207 852724217 /nfs/dbraw/zinc/72/42/17/852724217.db2.gz KXOAMLJPHAJRCE-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)C[NH+]1CCCC1)CCO2 ZINC001053532526 852755840 /nfs/dbraw/zinc/75/58/40/852755840.db2.gz ONZQFTPNFBMDPE-UHFFFAOYSA-N 2 2 281.400 0.405 20 0 CCADLP CC(C)[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)CO2 ZINC001053755229 852807259 /nfs/dbraw/zinc/80/72/59/852807259.db2.gz AEEFHOGKABETRF-OLZOCXBDSA-N 2 2 281.400 0.449 20 0 CCADLP CC(C)[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)CO2 ZINC001053755229 852807265 /nfs/dbraw/zinc/80/72/65/852807265.db2.gz AEEFHOGKABETRF-OLZOCXBDSA-N 2 2 281.400 0.449 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)CO2 ZINC001053803521 852825797 /nfs/dbraw/zinc/82/57/97/852825797.db2.gz UIJVYBBWWNBPSL-KBPBESRZSA-N 2 2 293.411 0.308 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@@H+]1CCC[C@H]1C)CO2 ZINC001053926339 852849955 /nfs/dbraw/zinc/84/99/55/852849955.db2.gz DOZXCZURDNGPEA-OLZOCXBDSA-N 2 2 281.400 0.450 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@H+]1CCC[C@H]1C)CO2 ZINC001053926339 852849963 /nfs/dbraw/zinc/84/99/63/852849963.db2.gz DOZXCZURDNGPEA-OLZOCXBDSA-N 2 2 281.400 0.450 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1COC2(C[NH+](C(C)C)C2)C1 ZINC001054007160 852865809 /nfs/dbraw/zinc/86/58/09/852865809.db2.gz YLZWNYHUEHVRSP-ZDUSSCGKSA-N 2 2 292.383 0.559 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC3(C2)CC[NH+](CCF)CC3)C1 ZINC001050472088 853381742 /nfs/dbraw/zinc/38/17/42/853381742.db2.gz KARFDGMGEXDKCK-CYBMUJFWSA-N 2 2 299.390 0.211 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2CC3(C2)CC[NH+](CCF)CC3)C1 ZINC001050472088 853381750 /nfs/dbraw/zinc/38/17/50/853381750.db2.gz KARFDGMGEXDKCK-CYBMUJFWSA-N 2 2 299.390 0.211 20 0 CCADLP C[C@H](O)C[NH+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001050708856 853416305 /nfs/dbraw/zinc/41/63/05/853416305.db2.gz AWLJMHWTPDCLCT-LBPRGKRZSA-N 2 2 292.383 0.257 20 0 CCADLP CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001050930778 853489208 /nfs/dbraw/zinc/48/92/08/853489208.db2.gz KWXYPGUVXHKTQC-SOUVJXGZSA-N 2 2 297.443 0.944 20 0 CCADLP CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001050930778 853489213 /nfs/dbraw/zinc/48/92/13/853489213.db2.gz KWXYPGUVXHKTQC-SOUVJXGZSA-N 2 2 297.443 0.944 20 0 CCADLP CCC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001050930778 853489219 /nfs/dbraw/zinc/48/92/19/853489219.db2.gz KWXYPGUVXHKTQC-SOUVJXGZSA-N 2 2 297.443 0.944 20 0 CCADLP CCC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001050930778 853489225 /nfs/dbraw/zinc/48/92/25/853489225.db2.gz KWXYPGUVXHKTQC-SOUVJXGZSA-N 2 2 297.443 0.944 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2COCC[NH+]2CCCF)C1 ZINC001051241140 853552125 /nfs/dbraw/zinc/55/21/25/853552125.db2.gz KTSPMIIBNIZFGI-QWHCGFSZSA-N 2 2 287.379 0.115 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2COCC[NH+]2CCCF)C1 ZINC001051241140 853552134 /nfs/dbraw/zinc/55/21/34/853552134.db2.gz KTSPMIIBNIZFGI-QWHCGFSZSA-N 2 2 287.379 0.115 20 0 CCADLP C[NH+]1CC[C@H](C(=O)NC[C@@H]2COCC[N@@H+]2CCCF)C1 ZINC001051241140 853552144 /nfs/dbraw/zinc/55/21/44/853552144.db2.gz KTSPMIIBNIZFGI-QWHCGFSZSA-N 2 2 287.379 0.115 20 0 CCADLP C[NH+]1CC[C@H](C(=O)NC[C@@H]2COCC[N@H+]2CCCF)C1 ZINC001051241140 853552151 /nfs/dbraw/zinc/55/21/51/853552151.db2.gz KTSPMIIBNIZFGI-QWHCGFSZSA-N 2 2 287.379 0.115 20 0 CCADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC[NH2+]1 ZINC000384811350 853876646 /nfs/dbraw/zinc/87/66/46/853876646.db2.gz GQYKSSIVTIHOAY-MNOVXSKESA-N 2 2 250.346 0.776 20 0 CCADLP CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+]C[C@@H]2CCC[NH2+]2)C1 ZINC000397458324 854423956 /nfs/dbraw/zinc/42/39/56/854423956.db2.gz ODUUVDAQRHOJLR-STQMWFEESA-N 2 2 299.415 0.964 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CC2(C1)CC[N@@H+](CCCO)C2 ZINC001072673565 854443399 /nfs/dbraw/zinc/44/33/99/854443399.db2.gz QAVMGAIZICQDQN-UHFFFAOYSA-N 2 2 292.383 0.259 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CC2(C1)CC[N@H+](CCCO)C2 ZINC001072673565 854443404 /nfs/dbraw/zinc/44/34/04/854443404.db2.gz QAVMGAIZICQDQN-UHFFFAOYSA-N 2 2 292.383 0.259 20 0 CCADLP C[C@H](CC(=O)N1CC[C@H]([NH2+]CCO)[C@@H]1C)n1cc[nH+]c1 ZINC001074927603 854799388 /nfs/dbraw/zinc/79/93/88/854799388.db2.gz LNOIBEAFIPVSML-AGIUHOORSA-N 2 2 280.372 0.406 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CC2CC2)C[C@@H]1O ZINC001099940582 855040042 /nfs/dbraw/zinc/04/00/42/855040042.db2.gz YDUDIAYJWPFMJB-KGLIPLIRSA-N 2 2 292.383 0.235 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[N@H+](CC2CC2)C[C@@H]1O ZINC001099940582 855040046 /nfs/dbraw/zinc/04/00/46/855040046.db2.gz YDUDIAYJWPFMJB-KGLIPLIRSA-N 2 2 292.383 0.235 20 0 CCADLP Cc1nc(N(C)CCNC(=O)CC[NH+](C)C)cc[nH+]1 ZINC001100299495 855142565 /nfs/dbraw/zinc/14/25/65/855142565.db2.gz KBNPNOZRUKTPAX-UHFFFAOYSA-N 2 2 265.361 0.289 20 0 CCADLP COCCC[NH2+]C1CC(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001100871256 855233839 /nfs/dbraw/zinc/23/38/39/855233839.db2.gz JINQNOKIEIEGAN-UHFFFAOYSA-N 2 2 294.399 0.484 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001256320722 855242407 /nfs/dbraw/zinc/24/24/07/855242407.db2.gz VWXWGXIARPWBQX-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001256320722 855242414 /nfs/dbraw/zinc/24/24/14/855242414.db2.gz VWXWGXIARPWBQX-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H]1C[N@H+](CCF)C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001101927070 855393201 /nfs/dbraw/zinc/39/32/01/855393201.db2.gz WTORGCHODQMMGC-VXGBXAGGSA-N 2 2 282.363 0.996 20 0 CCADLP C[C@@H]1C[N@@H+](CCF)C[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001101927070 855393204 /nfs/dbraw/zinc/39/32/04/855393204.db2.gz WTORGCHODQMMGC-VXGBXAGGSA-N 2 2 282.363 0.996 20 0 CCADLP C[C@@H]1C[N@H+](CCCO)C[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001102031833 855409708 /nfs/dbraw/zinc/40/97/08/855409708.db2.gz FGBLRAUDDZMHBD-CHWSQXEVSA-N 2 2 294.399 0.409 20 0 CCADLP C[C@@H]1C[N@@H+](CCCO)C[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001102031833 855409713 /nfs/dbraw/zinc/40/97/13/855409713.db2.gz FGBLRAUDDZMHBD-CHWSQXEVSA-N 2 2 294.399 0.409 20 0 CCADLP C[C@@H]1C[N@H+](CCCO)C[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001102031833 855409715 /nfs/dbraw/zinc/40/97/15/855409715.db2.gz FGBLRAUDDZMHBD-CHWSQXEVSA-N 2 2 294.399 0.409 20 0 CCADLP C[C@@H]1C[N@@H+](CCCO)C[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001102031833 855409718 /nfs/dbraw/zinc/40/97/18/855409718.db2.gz FGBLRAUDDZMHBD-CHWSQXEVSA-N 2 2 294.399 0.409 20 0 CCADLP C[C@@H]1C[N@H+](CCF)C[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001102205268 855418984 /nfs/dbraw/zinc/41/89/84/855418984.db2.gz UBGRVWXXHHQPGJ-CHWSQXEVSA-N 2 2 282.363 0.927 20 0 CCADLP C[C@@H]1C[N@@H+](CCF)C[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001102205268 855418986 /nfs/dbraw/zinc/41/89/86/855418986.db2.gz UBGRVWXXHHQPGJ-CHWSQXEVSA-N 2 2 282.363 0.927 20 0 CCADLP CC[N@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102482959 855438538 /nfs/dbraw/zinc/43/85/38/855438538.db2.gz QIFMJFSGJBRFGG-GHMZBOCLSA-N 2 2 250.346 0.656 20 0 CCADLP CC[N@@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102482959 855438546 /nfs/dbraw/zinc/43/85/46/855438546.db2.gz QIFMJFSGJBRFGG-GHMZBOCLSA-N 2 2 250.346 0.656 20 0 CCADLP C[C@@H]1C[N@H+](CCCO)C[C@H]1CCNC(=O)Cn1cc[nH+]c1 ZINC001103779762 855528790 /nfs/dbraw/zinc/52/87/90/855528790.db2.gz NEZBXSIZTKCZNW-ZIAGYGMSSA-N 2 2 294.399 0.340 20 0 CCADLP C[C@@H]1C[N@@H+](CCCO)C[C@H]1CCNC(=O)Cn1cc[nH+]c1 ZINC001103779762 855528795 /nfs/dbraw/zinc/52/87/95/855528795.db2.gz NEZBXSIZTKCZNW-ZIAGYGMSSA-N 2 2 294.399 0.340 20 0 CCADLP CC(C)OCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC001115016438 855635953 /nfs/dbraw/zinc/63/59/53/855635953.db2.gz WWCUAJJWRIUTEZ-JYAVWHMHSA-N 2 2 292.383 0.424 20 0 CCADLP CC(C)OCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC001115016438 855635958 /nfs/dbraw/zinc/63/59/58/855635958.db2.gz WWCUAJJWRIUTEZ-JYAVWHMHSA-N 2 2 292.383 0.424 20 0 CCADLP C[C@@H]1C[N@@H+](CCCNc2cc(N)[nH+]cn2)C[C@H](C)O1 ZINC001115989788 855709082 /nfs/dbraw/zinc/70/90/82/855709082.db2.gz YXNRQOAKUGIZQE-PHIMTYICSA-N 2 2 265.361 0.970 20 0 CCADLP C[C@@H]1C[N@H+](CCCNc2cc(N)[nH+]cn2)C[C@H](C)O1 ZINC001115989788 855709088 /nfs/dbraw/zinc/70/90/88/855709088.db2.gz YXNRQOAKUGIZQE-PHIMTYICSA-N 2 2 265.361 0.970 20 0 CCADLP C[NH+](C)CCCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001116354942 855752150 /nfs/dbraw/zinc/75/21/50/855752150.db2.gz DWFDAKGDVYBKAF-LBPRGKRZSA-N 2 2 264.373 0.904 20 0 CCADLP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cnnn1C ZINC001117736917 856065369 /nfs/dbraw/zinc/06/53/69/856065369.db2.gz CCCGEEFIOCDPSK-LLVKDONJSA-N 2 2 267.377 0.313 20 0 CCADLP Cc1cc(C)c(CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])c[nH+]1 ZINC001118864576 856469323 /nfs/dbraw/zinc/46/93/23/856469323.db2.gz DHSFLIXHLAKLJV-SNVBAGLBSA-N 2 2 278.356 0.120 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CCCC[C@@H]2C[NH3+])c1 ZINC001119476800 856699115 /nfs/dbraw/zinc/69/91/15/856699115.db2.gz HZAZYGWAVHUODK-GFCCVEGCSA-N 2 2 265.361 0.485 20 0 CCADLP C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001119592501 856762956 /nfs/dbraw/zinc/76/29/56/856762956.db2.gz HGUAPZZSPXDDMZ-NEPJUHHUSA-N 2 2 250.346 0.941 20 0 CCADLP C[C@@H]1CCC[C@@H]1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001120503887 857096667 /nfs/dbraw/zinc/09/66/67/857096667.db2.gz BDDMVFHNFCDXKL-YPMHNXCESA-N 2 2 268.405 0.897 20 0 CCADLP CC[C@H](C[N@@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1)OC ZINC001392876870 912221730 /nfs/dbraw/zinc/22/17/30/912221730.db2.gz GSMNCNGQPFQCKK-QWHCGFSZSA-N 2 2 280.372 0.499 20 0 CCADLP CC[C@H](C[N@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1)OC ZINC001392876870 912221752 /nfs/dbraw/zinc/22/17/52/912221752.db2.gz GSMNCNGQPFQCKK-QWHCGFSZSA-N 2 2 280.372 0.499 20 0 CCADLP Cc1cnc(C[NH2+]C2(CNC(=O)[C@H]3CCC[N@H+]3C)CC2)o1 ZINC001392922016 912268832 /nfs/dbraw/zinc/26/88/32/912268832.db2.gz AGHFGKKCPZPRJL-GFCCVEGCSA-N 2 2 292.383 0.816 20 0 CCADLP Cc1cnc(C[NH2+]C2(CNC(=O)[C@H]3CCC[N@@H+]3C)CC2)o1 ZINC001392922016 912268845 /nfs/dbraw/zinc/26/88/45/912268845.db2.gz AGHFGKKCPZPRJL-GFCCVEGCSA-N 2 2 292.383 0.816 20 0 CCADLP Cc1nonc1C[NH2+]C1(CNC(=O)CC[NH+](C)C)CC1 ZINC001392928222 912273615 /nfs/dbraw/zinc/27/36/15/912273615.db2.gz HPEYQVLXYKFWAV-UHFFFAOYSA-N 2 2 281.360 0.068 20 0 CCADLP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001392938618 912277741 /nfs/dbraw/zinc/27/77/41/912277741.db2.gz KAHOZAGDSFAEMS-WDEREUQCSA-N 2 2 280.372 0.208 20 0 CCADLP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001392938618 912277759 /nfs/dbraw/zinc/27/77/59/912277759.db2.gz KAHOZAGDSFAEMS-WDEREUQCSA-N 2 2 280.372 0.208 20 0 CCADLP CC[NH+](CC)C[C@@H](F)C(=O)N(C)C1C[NH+](C[C@@H](C)O)C1 ZINC001393005630 912320788 /nfs/dbraw/zinc/32/07/88/912320788.db2.gz OPNRASKXKVEWQH-DGCLKSJQSA-N 2 2 289.395 0.190 20 0 CCADLP C[NH+](C)CCCC(=O)N[C@@]1(CO)CCC[N@H+](CCF)C1 ZINC001393449766 912580612 /nfs/dbraw/zinc/58/06/12/912580612.db2.gz KNURRRWINOAQNI-AWEZNQCLSA-N 2 2 289.395 0.241 20 0 CCADLP C[NH+](C)CCCC(=O)N[C@@]1(CO)CCC[N@@H+](CCF)C1 ZINC001393449766 912580631 /nfs/dbraw/zinc/58/06/31/912580631.db2.gz KNURRRWINOAQNI-AWEZNQCLSA-N 2 2 289.395 0.241 20 0 CCADLP COCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001324233275 912732957 /nfs/dbraw/zinc/73/29/57/912732957.db2.gz AAGOODIGCHBYIU-JSGCOSHPSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001324233275 912732973 /nfs/dbraw/zinc/73/29/73/912732973.db2.gz AAGOODIGCHBYIU-JSGCOSHPSA-N 2 2 294.399 0.815 20 0 CCADLP Cc1noc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC[NH+](C)C)n1 ZINC001393961595 912880301 /nfs/dbraw/zinc/88/03/01/912880301.db2.gz HWWSTKGGZLHNBE-WDEREUQCSA-N 2 2 297.403 0.703 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)C[C@@H]1CCCCO1 ZINC001394140510 913037397 /nfs/dbraw/zinc/03/73/97/913037397.db2.gz BVNRWQZTIGAZCU-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)C[C@@H]1CCCCO1 ZINC001394140510 913037414 /nfs/dbraw/zinc/03/74/14/913037414.db2.gz BVNRWQZTIGAZCU-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP CN(C[C@@H](O)C[N@H+](C)CC1CC1)C(=O)Cn1cc[nH+]c1 ZINC001394788289 913427476 /nfs/dbraw/zinc/42/74/76/913427476.db2.gz HIKKONMIFSBGJT-ZDUSSCGKSA-N 2 2 280.372 0.044 20 0 CCADLP CN(C[C@@H](O)C[N@@H+](C)CC1CC1)C(=O)Cn1cc[nH+]c1 ZINC001394788289 913427494 /nfs/dbraw/zinc/42/74/94/913427494.db2.gz HIKKONMIFSBGJT-ZDUSSCGKSA-N 2 2 280.372 0.044 20 0 CCADLP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC[NH+](CCCO)CC1 ZINC001394843019 913458870 /nfs/dbraw/zinc/45/88/70/913458870.db2.gz BFOCDPRJCLXXDE-LBPRGKRZSA-N 2 2 294.399 0.551 20 0 CCADLP CO[C@H](C)C[N@H+](C)CCNC(=O)CCc1c[nH+]cn1C ZINC001492836097 913559123 /nfs/dbraw/zinc/55/91/23/913559123.db2.gz WJGBOTWOIPVHMS-GFCCVEGCSA-N 2 2 282.388 0.436 20 0 CCADLP CO[C@H](C)C[N@@H+](C)CCNC(=O)CCc1c[nH+]cn1C ZINC001492836097 913559147 /nfs/dbraw/zinc/55/91/47/913559147.db2.gz WJGBOTWOIPVHMS-GFCCVEGCSA-N 2 2 282.388 0.436 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC[N@H+]1CC=CCC1 ZINC001347532252 891573430 /nfs/dbraw/zinc/57/34/30/891573430.db2.gz SMYWDRITRKAGKJ-UHFFFAOYSA-N 2 2 262.357 0.731 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC[N@@H+]1CC=CCC1 ZINC001347532252 891573441 /nfs/dbraw/zinc/57/34/41/891573441.db2.gz SMYWDRITRKAGKJ-UHFFFAOYSA-N 2 2 262.357 0.731 20 0 CCADLP Cc1[nH+]ccn1Cc1cn(CCc2c[nH+]cn2C)nn1 ZINC001349749585 891775209 /nfs/dbraw/zinc/77/52/09/891775209.db2.gz BFPWDPHOWZQPCT-UHFFFAOYSA-N 2 2 271.328 0.808 20 0 CCADLP CC(C)C[NH2+]CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC001350405845 891832407 /nfs/dbraw/zinc/83/24/07/891832407.db2.gz VVRQCQSGPSREGN-ZDUSSCGKSA-N 2 2 269.389 0.165 20 0 CCADLP COC[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001283691256 892107139 /nfs/dbraw/zinc/10/71/39/892107139.db2.gz LFHCYMIGFMKVBK-QWRGUYRKSA-N 2 2 268.361 0.424 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001481104040 892168081 /nfs/dbraw/zinc/16/80/81/892168081.db2.gz PTJONVKXQSIFQH-STQMWFEESA-N 2 2 294.399 0.172 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001481104040 892168086 /nfs/dbraw/zinc/16/80/86/892168086.db2.gz PTJONVKXQSIFQH-STQMWFEESA-N 2 2 294.399 0.172 20 0 CCADLP CCC[N@H+](CCO)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001481140777 892221638 /nfs/dbraw/zinc/22/16/38/892221638.db2.gz VTOHVBKPUGOZQP-CYBMUJFWSA-N 2 2 294.399 0.266 20 0 CCADLP CCC[N@@H+](CCO)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001481140777 892221656 /nfs/dbraw/zinc/22/16/56/892221656.db2.gz VTOHVBKPUGOZQP-CYBMUJFWSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@@H](O)C[N@H+](C)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001481507818 892756613 /nfs/dbraw/zinc/75/66/13/892756613.db2.gz BMANKTRGFMULLY-OLZOCXBDSA-N 2 2 280.372 0.044 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001481507818 892756626 /nfs/dbraw/zinc/75/66/26/892756626.db2.gz BMANKTRGFMULLY-OLZOCXBDSA-N 2 2 280.372 0.044 20 0 CCADLP CCOCC[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001481539300 892787695 /nfs/dbraw/zinc/78/76/95/892787695.db2.gz VSCQXKGNJHNDRO-ZDUSSCGKSA-N 2 2 294.399 0.878 20 0 CCADLP CCOCC[N@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001481539300 892787698 /nfs/dbraw/zinc/78/76/98/892787698.db2.gz VSCQXKGNJHNDRO-ZDUSSCGKSA-N 2 2 294.399 0.878 20 0 CCADLP C[C@@H](C[NH3+])C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001326063157 913726327 /nfs/dbraw/zinc/72/63/27/913726327.db2.gz YNUBLEXDLBGPSQ-NWDGAFQWSA-N 2 2 264.373 0.796 20 0 CCADLP C[C@@H](C[NH3+])C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001326063159 913727859 /nfs/dbraw/zinc/72/78/59/913727859.db2.gz YNUBLEXDLBGPSQ-RYUDHWBXSA-N 2 2 264.373 0.796 20 0 CCADLP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CCOC ZINC001481821412 893188199 /nfs/dbraw/zinc/18/81/99/893188199.db2.gz NTFHTHSKZKHJFR-QJPTWQEYSA-N 2 2 280.372 0.644 20 0 CCADLP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CCOC ZINC001481821412 893188217 /nfs/dbraw/zinc/18/82/17/893188217.db2.gz NTFHTHSKZKHJFR-QJPTWQEYSA-N 2 2 280.372 0.644 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)C[NH2+]Cc1cnon1 ZINC001482164922 893452145 /nfs/dbraw/zinc/45/21/45/893452145.db2.gz ZAFKXAFPVJFRMN-SECBINFHSA-N 2 2 292.343 0.186 20 0 CCADLP CC[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001482344729 893896532 /nfs/dbraw/zinc/89/65/32/893896532.db2.gz VJEQLODGCRGIFZ-GFCCVEGCSA-N 2 2 271.405 0.554 20 0 CCADLP CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001482845519 894645204 /nfs/dbraw/zinc/64/52/04/894645204.db2.gz MNPVSXFWIYBZSS-NWDGAFQWSA-N 2 2 264.373 0.950 20 0 CCADLP C[C@@H](C(=O)NC[C@]1(C)CCC[NH2+]C1)n1cc[nH+]c1 ZINC001326357543 913912075 /nfs/dbraw/zinc/91/20/75/913912075.db2.gz YQBZXMFHGBJHJO-WCQYABFASA-N 2 2 250.346 0.950 20 0 CCADLP COCC[NH2+]C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001483188662 895073754 /nfs/dbraw/zinc/07/37/54/895073754.db2.gz QYWQKOPHKQKXTG-SECBINFHSA-N 2 2 254.334 0.001 20 0 CCADLP Cc1oncc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001409471169 895194372 /nfs/dbraw/zinc/19/43/72/895194372.db2.gz OKVUDYAWCAUTMN-WDEREUQCSA-N 2 2 291.355 0.863 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)CC[C@@H]1CCOC1 ZINC001409661750 895319358 /nfs/dbraw/zinc/31/93/58/895319358.db2.gz RRKMQAJMCKPTKR-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)CC[C@@H]1CCOC1 ZINC001409661750 895319370 /nfs/dbraw/zinc/31/93/70/895319370.db2.gz RRKMQAJMCKPTKR-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CC[N@H+]1CCCF ZINC001483669424 895824403 /nfs/dbraw/zinc/82/44/03/895824403.db2.gz VSOFMASFGNCDIO-GFCCVEGCSA-N 2 2 268.336 0.823 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CC[N@@H+]1CCCF ZINC001483669424 895824411 /nfs/dbraw/zinc/82/44/11/895824411.db2.gz VSOFMASFGNCDIO-GFCCVEGCSA-N 2 2 268.336 0.823 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCOCC1CC1 ZINC001483671577 895828747 /nfs/dbraw/zinc/82/87/47/895828747.db2.gz XUOQWNOQPATMLL-HUUCEWRRSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCOCC1CC1 ZINC001483671577 895828740 /nfs/dbraw/zinc/82/87/40/895828740.db2.gz XUOQWNOQPATMLL-HUUCEWRRSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCOCC1CC1 ZINC001483671577 895828755 /nfs/dbraw/zinc/82/87/55/895828755.db2.gz XUOQWNOQPATMLL-HUUCEWRRSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCOCC1CC1 ZINC001483671577 895828759 /nfs/dbraw/zinc/82/87/59/895828759.db2.gz XUOQWNOQPATMLL-HUUCEWRRSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001397069796 914034539 /nfs/dbraw/zinc/03/45/39/914034539.db2.gz AQMWQKRMYYZKKW-UPJWGTAASA-N 2 2 294.399 0.218 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC001483916734 896113375 /nfs/dbraw/zinc/11/33/75/896113375.db2.gz CDNBONXBAZQEMI-STQMWFEESA-N 2 2 280.372 0.499 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC1(C)CC[NH+](CCCO)CC1 ZINC001483974744 896139463 /nfs/dbraw/zinc/13/94/63/896139463.db2.gz PKCYOVSTHHKNGD-UHFFFAOYSA-N 2 2 294.399 0.614 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H](C[NH2+]CCO)C1CCCC1 ZINC001484013733 896150747 /nfs/dbraw/zinc/15/07/47/896150747.db2.gz CGULDHCKPNGQQN-ZDUSSCGKSA-N 2 2 280.372 0.140 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001397099022 914041494 /nfs/dbraw/zinc/04/14/94/914041494.db2.gz NHHQUUZWNKPMSN-SDDRHHMPSA-N 2 2 280.372 0.472 20 0 CCADLP CCOCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001484358763 896353173 /nfs/dbraw/zinc/35/31/73/896353173.db2.gz OVXZJBIZUDISMU-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001484975353 896692254 /nfs/dbraw/zinc/69/22/54/896692254.db2.gz FERFNSMUIZAGAJ-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001484975353 896692267 /nfs/dbraw/zinc/69/22/67/896692267.db2.gz FERFNSMUIZAGAJ-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP CC(C)[NH2+][C@@H](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001485001327 896702569 /nfs/dbraw/zinc/70/25/69/896702569.db2.gz BFPYDKIESTZZON-NSHDSACASA-N 2 2 252.362 0.855 20 0 CCADLP Cc1oncc1C[NH2+][C@H](C)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001485206955 896867321 /nfs/dbraw/zinc/86/73/21/896867321.db2.gz BVJOKFOOVVYTFO-ZJUUUORDSA-N 2 2 291.355 0.932 20 0 CCADLP CC(C)OCC[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001485233234 896881082 /nfs/dbraw/zinc/88/10/82/896881082.db2.gz CQQREENVWTWHLD-QWHCGFSZSA-N 2 2 282.388 0.791 20 0 CCADLP CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001485323403 896960271 /nfs/dbraw/zinc/96/02/71/896960271.db2.gz SRERCLOPKSQWGE-NEPJUHHUSA-N 2 2 264.373 0.902 20 0 CCADLP CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001485323403 896960275 /nfs/dbraw/zinc/96/02/75/896960275.db2.gz SRERCLOPKSQWGE-NEPJUHHUSA-N 2 2 264.373 0.902 20 0 CCADLP CC(C)[NH+]1CC([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001485531225 897110377 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CC[C@@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001078183590 898278337 /nfs/dbraw/zinc/27/83/37/898278337.db2.gz ZZODSXPNIFHFTF-JHJVBQTASA-N 2 2 298.362 0.101 20 0 CCADLP CC[C@@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001078183590 898278353 /nfs/dbraw/zinc/27/83/53/898278353.db2.gz ZZODSXPNIFHFTF-JHJVBQTASA-N 2 2 298.362 0.101 20 0 CCADLP CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCO1 ZINC001078415452 898366619 /nfs/dbraw/zinc/36/66/19/898366619.db2.gz ZXAMPKMEURUFKM-YNEHKIRRSA-N 2 2 292.383 0.740 20 0 CCADLP CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCO1 ZINC001078415452 898366630 /nfs/dbraw/zinc/36/66/30/898366630.db2.gz ZXAMPKMEURUFKM-YNEHKIRRSA-N 2 2 292.383 0.740 20 0 CCADLP CC(C)=CC[NH2+][C@H](CO)CNC(=O)CCc1c[nH+]cn1C ZINC001486056536 898644128 /nfs/dbraw/zinc/64/41/28/898644128.db2.gz AYWXIICSFUBMPQ-ZDUSSCGKSA-N 2 2 294.399 0.386 20 0 CCADLP CC(C)=CC[NH2+]C[C@H](O)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001486293353 898762979 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/nfs/dbraw/zinc/08/17/89/905081789.db2.gz UELLBGWTHAJLJJ-UONOGXRCSA-N 2 2 294.399 0.749 20 0 CCADLP COC[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001377674268 905088202 /nfs/dbraw/zinc/08/82/02/905088202.db2.gz YYPPCJJOXIHVCZ-QWHCGFSZSA-N 2 2 294.399 0.528 20 0 CCADLP CCOCC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001284017103 905116654 /nfs/dbraw/zinc/11/66/54/905116654.db2.gz LRDQNWPJNVVJJI-RYUDHWBXSA-N 2 2 280.372 0.568 20 0 CCADLP C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@H+](C)CC(N)=O ZINC001378161143 905460842 /nfs/dbraw/zinc/46/08/42/905460842.db2.gz ZBXUNGXAZLRHIP-OLZOCXBDSA-N 2 2 298.431 0.173 20 0 CCADLP C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@@H+](C)CC(N)=O ZINC001378161143 905460847 /nfs/dbraw/zinc/46/08/47/905460847.db2.gz ZBXUNGXAZLRHIP-OLZOCXBDSA-N 2 2 298.431 0.173 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC001378444655 905622298 /nfs/dbraw/zinc/62/22/98/905622298.db2.gz GNOPLVRPMWASBT-JHJVBQTASA-N 2 2 294.399 0.598 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC001378444655 905622299 /nfs/dbraw/zinc/62/22/99/905622299.db2.gz GNOPLVRPMWASBT-JHJVBQTASA-N 2 2 294.399 0.598 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCN(c2nccnc2C[NH3+])C1 ZINC001337092633 921183687 /nfs/dbraw/zinc/18/36/87/921183687.db2.gz QTRAFNTUUHHXPR-SNVBAGLBSA-N 2 2 258.329 0.663 20 0 CCADLP CC(C)[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]C[C@@H](C)O ZINC001378981541 905911151 /nfs/dbraw/zinc/91/11/51/905911151.db2.gz VKFWGMVOUSUIFA-CHWSQXEVSA-N 2 2 282.388 0.384 20 0 CCADLP C[C@H](O)C[NH2+][C@@H](C)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001379181845 906044918 /nfs/dbraw/zinc/04/49/18/906044918.db2.gz NXYSVOUQQFSQBX-RYUDHWBXSA-N 2 2 282.388 0.170 20 0 CCADLP Cc1nc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)oc1C ZINC001379414560 906221993 /nfs/dbraw/zinc/22/19/93/906221993.db2.gz UCYDUHOUDYRYLV-ZWNOBZJWSA-N 2 2 294.399 0.980 20 0 CCADLP Cc1nc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)oc1C ZINC001379414560 906222007 /nfs/dbraw/zinc/22/20/07/906222007.db2.gz UCYDUHOUDYRYLV-ZWNOBZJWSA-N 2 2 294.399 0.980 20 0 CCADLP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1cnsn1)[NH+](C)C ZINC001379517920 906319402 /nfs/dbraw/zinc/31/94/02/906319402.db2.gz ARFKQVOYCIHAGN-JQWIXIFHSA-N 2 2 299.444 0.719 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]C[C@H](C)NC(=O)C[NH+]2CCCC2)[nH]1 ZINC001379602017 906376349 /nfs/dbraw/zinc/37/63/49/906376349.db2.gz XTPMHMYOOUPLDB-QWRGUYRKSA-N 2 2 294.403 0.364 20 0 CCADLP C[C@@H](C[N@H+](C)C[C@@H]1CCOC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001379757757 906467599 /nfs/dbraw/zinc/46/75/99/906467599.db2.gz WFOLLHWLYNQMRB-RYUDHWBXSA-N 2 2 280.372 0.425 20 0 CCADLP C[C@@H](C[N@@H+](C)C[C@@H]1CCOC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001379757757 906467606 /nfs/dbraw/zinc/46/76/06/906467606.db2.gz WFOLLHWLYNQMRB-RYUDHWBXSA-N 2 2 280.372 0.425 20 0 CCADLP CC[C@@H](C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001379968546 906564813 /nfs/dbraw/zinc/56/48/13/906564813.db2.gz UTXOFAZKMFUQOF-TZMCWYRMSA-N 2 2 296.415 0.749 20 0 CCADLP CC[C@@H](C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001379968546 906564826 /nfs/dbraw/zinc/56/48/26/906564826.db2.gz UTXOFAZKMFUQOF-TZMCWYRMSA-N 2 2 296.415 0.749 20 0 CCADLP CO[C@@H](C)C[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001380174584 906668006 /nfs/dbraw/zinc/66/80/06/906668006.db2.gz MZRXLSFCAHQTRA-ZBOXLXRLSA-N 2 2 280.372 0.566 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@]1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001380422784 906767073 /nfs/dbraw/zinc/76/70/73/906767073.db2.gz KLFBZRPUPBOAFI-SMDDNHRTSA-N 2 2 280.372 0.161 20 0 CCADLP CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001380547292 906812331 /nfs/dbraw/zinc/81/23/31/906812331.db2.gz NQCJIZPUROZSPB-IUODEOHRSA-N 2 2 292.383 0.018 20 0 CCADLP CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001380547292 906812343 /nfs/dbraw/zinc/81/23/43/906812343.db2.gz NQCJIZPUROZSPB-IUODEOHRSA-N 2 2 292.383 0.018 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1COCC[NH+]1CC1CCC1 ZINC001380830755 906955572 /nfs/dbraw/zinc/95/55/72/906955572.db2.gz IXPGCMOYQVBRGV-OAHLLOKOSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1COCC[NH+]1CC1CCC1 ZINC001380830755 906955589 /nfs/dbraw/zinc/95/55/89/906955589.db2.gz IXPGCMOYQVBRGV-OAHLLOKOSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001380830755 906955602 /nfs/dbraw/zinc/95/56/02/906955602.db2.gz IXPGCMOYQVBRGV-OAHLLOKOSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001380830755 906955614 /nfs/dbraw/zinc/95/56/14/906955614.db2.gz IXPGCMOYQVBRGV-OAHLLOKOSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H](O)C[NH2+]C1(CNC(=O)CCCn2cc[nH+]c2)CCC1 ZINC001380903333 906988169 /nfs/dbraw/zinc/98/81/69/906988169.db2.gz SLEKPOVAPNFLHE-CYBMUJFWSA-N 2 2 294.399 0.673 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)Nc1nccnc1C[NH3+] ZINC001337805727 921295166 /nfs/dbraw/zinc/29/51/66/921295166.db2.gz GLSJCMRBSBUEPA-JTQLQIEISA-N 2 2 251.334 0.068 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NC1(CCO)C[NH+](CCC2CC2)C1 ZINC001381649993 907357063 /nfs/dbraw/zinc/35/70/63/907357063.db2.gz IXCRJAUPQUKPPU-AWEZNQCLSA-N 2 2 295.427 0.434 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NC1(CCO)C[NH+](CCC2CC2)C1 ZINC001381649993 907357083 /nfs/dbraw/zinc/35/70/83/907357083.db2.gz IXCRJAUPQUKPPU-AWEZNQCLSA-N 2 2 295.427 0.434 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+]Cc1cnoc1C ZINC001491650940 907485571 /nfs/dbraw/zinc/48/55/71/907485571.db2.gz OEAFIZCJZRDHEM-VIFPVBQESA-N 2 2 291.355 0.852 20 0 CCADLP C[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]CCF ZINC001491603820 907489591 /nfs/dbraw/zinc/48/95/91/907489591.db2.gz AAYFCAWRRQHAKN-UWVGGRQHSA-N 2 2 256.325 0.652 20 0 CCADLP C[C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]CCF ZINC001491603820 907489601 /nfs/dbraw/zinc/48/96/01/907489601.db2.gz AAYFCAWRRQHAKN-UWVGGRQHSA-N 2 2 256.325 0.652 20 0 CCADLP C[C@@H](F)CC[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001491693427 907508868 /nfs/dbraw/zinc/50/88/68/907508868.db2.gz FLZDNJFMFQXZIS-MNOVXSKESA-N 2 2 256.325 0.726 20 0 CCADLP CCC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001491861871 907636828 /nfs/dbraw/zinc/63/68/28/907636828.db2.gz RVFGHXLCUFGWLT-GFCCVEGCSA-N 2 2 250.346 0.731 20 0 CCADLP CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001492047467 907681969 /nfs/dbraw/zinc/68/19/69/907681969.db2.gz RECRALAULGRRHR-NWDGAFQWSA-N 2 2 264.373 0.950 20 0 CCADLP CC(C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001382470402 907759251 /nfs/dbraw/zinc/75/92/51/907759251.db2.gz NJYFFRLKIMYSNC-CYBMUJFWSA-N 2 2 282.388 0.359 20 0 CCADLP CC(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001382470402 907759261 /nfs/dbraw/zinc/75/92/61/907759261.db2.gz NJYFFRLKIMYSNC-CYBMUJFWSA-N 2 2 282.388 0.359 20 0 CCADLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC[NH+](CCCO)CC1 ZINC001382557440 907787844 /nfs/dbraw/zinc/78/78/44/907787844.db2.gz DOLFCXMTANXZOP-GFCCVEGCSA-N 2 2 294.399 0.551 20 0 CCADLP CCNC(=O)C[N@H+](C)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001492293345 907858911 /nfs/dbraw/zinc/85/89/11/907858911.db2.gz MFRPGTCQMNDSFE-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CCNC(=O)C[N@@H+](C)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001492293345 907858920 /nfs/dbraw/zinc/85/89/20/907858920.db2.gz MFRPGTCQMNDSFE-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CCNC(=O)C[NH+](C)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001492293345 907858926 /nfs/dbraw/zinc/85/89/26/907858926.db2.gz MFRPGTCQMNDSFE-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CCNC(=O)C[NH+](C)CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001492293345 907858942 /nfs/dbraw/zinc/85/89/42/907858942.db2.gz MFRPGTCQMNDSFE-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CNC(=O)NC1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC001307845922 908355982 /nfs/dbraw/zinc/35/59/82/908355982.db2.gz YFBCLXPOFXMBOT-UHFFFAOYSA-N 2 2 265.361 0.667 20 0 CCADLP CCn1nnc(C)c1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC001308378133 908411160 /nfs/dbraw/zinc/41/11/60/908411160.db2.gz DQLMCDUCRUZKGW-LLVKDONJSA-N 2 2 260.345 0.908 20 0 CCADLP C[C@@H](C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C)n1cc[nH+]c1 ZINC001328594474 908694896 /nfs/dbraw/zinc/69/48/96/908694896.db2.gz VZAXJJUQOFMHNJ-WISYIIOYSA-N 2 2 250.346 0.947 20 0 CCADLP COCC[NH2+]CCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001317606738 909398801 /nfs/dbraw/zinc/39/88/01/909398801.db2.gz UPQHQZUMEHVUEM-GFCCVEGCSA-N 2 2 280.372 0.140 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001388649306 909531039 /nfs/dbraw/zinc/53/10/39/909531039.db2.gz GSIDVTTYDPKOKH-AAEUAGOBSA-N 2 2 280.372 0.520 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@H]1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001388649306 909531047 /nfs/dbraw/zinc/53/10/47/909531047.db2.gz GSIDVTTYDPKOKH-AAEUAGOBSA-N 2 2 280.372 0.520 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCc1c[nH+]cn1C ZINC001388662019 909537524 /nfs/dbraw/zinc/53/75/24/909537524.db2.gz YMOHFDVHUPRVMN-GXTWGEPZSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCc1c[nH+]cn1C ZINC001388662019 909537536 /nfs/dbraw/zinc/53/75/36/909537536.db2.gz YMOHFDVHUPRVMN-GXTWGEPZSA-N 2 2 294.399 0.266 20 0 CCADLP COCCN(CC[NH+](C)C)C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001318275789 909685233 /nfs/dbraw/zinc/68/52/33/909685233.db2.gz BQWBAHRTPSUQKU-GFCCVEGCSA-N 2 2 268.361 0.481 20 0 CCADLP CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](CCF)C1)[NH+](C)C ZINC001318443314 909760148 /nfs/dbraw/zinc/76/01/48/909760148.db2.gz VTTUBDCIAQVNFM-NWDGAFQWSA-N 2 2 259.369 0.829 20 0 CCADLP CC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](CCF)C1)[NH+](C)C ZINC001318443314 909760154 /nfs/dbraw/zinc/76/01/54/909760154.db2.gz VTTUBDCIAQVNFM-NWDGAFQWSA-N 2 2 259.369 0.829 20 0 CCADLP CCN1CC[NH+](CCC(=O)NCC[NH+]2CC=CC2)CC1 ZINC001318891537 909910942 /nfs/dbraw/zinc/91/09/42/909910942.db2.gz LBALKBAXVIXPRR-UHFFFAOYSA-N 2 2 280.416 0.002 20 0 CCADLP O=C(NC[C@H]([NH2+]CCF)C1CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001389623980 910003204 /nfs/dbraw/zinc/00/32/04/910003204.db2.gz RDIXRPWQDXPDCV-JSGCOSHPSA-N 2 2 294.374 0.899 20 0 CCADLP COCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001319210273 910041778 /nfs/dbraw/zinc/04/17/78/910041778.db2.gz VITNPLVZGCPURR-CHWSQXEVSA-N 2 2 294.399 0.434 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001390029563 910196485 /nfs/dbraw/zinc/19/64/85/910196485.db2.gz LZJIOUXLBQZMNX-MCIONIFRSA-N 2 2 294.399 0.935 20 0 CCADLP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)CS(C)(=O)=O)C1 ZINC001319799560 910298208 /nfs/dbraw/zinc/29/82/08/910298208.db2.gz XOECIWJTYSZZAL-VXGBXAGGSA-N 2 2 262.419 0.741 20 0 CCADLP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)CS(C)(=O)=O)C1 ZINC001319799560 910298217 /nfs/dbraw/zinc/29/82/17/910298217.db2.gz XOECIWJTYSZZAL-VXGBXAGGSA-N 2 2 262.419 0.741 20 0 CCADLP Cc1noc(C)c1C[NH2+][C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001390485726 910455780 /nfs/dbraw/zinc/45/57/80/910455780.db2.gz RISCUDRLDOIHOI-SECBINFHSA-N 2 2 291.355 0.852 20 0 CCADLP C[NH+](C)CCCC(=O)NC[C@@H]1CC[N@H+](Cc2cnon2)C1 ZINC001391092969 910869696 /nfs/dbraw/zinc/86/96/96/910869696.db2.gz OGWKWMQUZWYJTI-LBPRGKRZSA-N 2 2 295.387 0.350 20 0 CCADLP C[NH+](C)CCCC(=O)NC[C@@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001391092969 910869710 /nfs/dbraw/zinc/86/97/10/910869710.db2.gz OGWKWMQUZWYJTI-LBPRGKRZSA-N 2 2 295.387 0.350 20 0 CCADLP CC[C@H](C(=O)NC1C[NH+](CCC[C@@H](C)O)C1)[NH+](C)C ZINC001391420990 911117362 /nfs/dbraw/zinc/11/73/62/911117362.db2.gz PFDRNRAZZZEIDK-DGCLKSJQSA-N 2 2 271.405 0.288 20 0 CCADLP C[C@@H](CC(=O)NC1C[NH+](C[C@H]2CCOC2)C1)n1cc[nH+]c1 ZINC001391447672 911138208 /nfs/dbraw/zinc/13/82/08/911138208.db2.gz LZWCUZKQXBLURL-QWHCGFSZSA-N 2 2 292.383 0.671 20 0 CCADLP CCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001391560716 911225439 /nfs/dbraw/zinc/22/54/39/911225439.db2.gz HJYIFYNNQLGHDZ-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CCCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001391560716 911225452 /nfs/dbraw/zinc/22/54/52/911225452.db2.gz HJYIFYNNQLGHDZ-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CCCNC(=O)C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001391560716 911225466 /nfs/dbraw/zinc/22/54/66/911225466.db2.gz HJYIFYNNQLGHDZ-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CCCNC(=O)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001391560716 911225479 /nfs/dbraw/zinc/22/54/79/911225479.db2.gz HJYIFYNNQLGHDZ-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]Cc1cnns1 ZINC001391928721 911464177 /nfs/dbraw/zinc/46/41/77/911464177.db2.gz KJUHKNZVZWHKIS-VIFPVBQESA-N 2 2 294.384 0.346 20 0 CCADLP C[C@H](O)C[N@H+](C)CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001392288712 911704913 /nfs/dbraw/zinc/70/49/13/911704913.db2.gz OULARCPHTJTHPN-NSHDSACASA-N 2 2 290.367 0.948 20 0 CCADLP C[C@H](O)C[N@@H+](C)CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001392288712 911704917 /nfs/dbraw/zinc/70/49/17/911704917.db2.gz OULARCPHTJTHPN-NSHDSACASA-N 2 2 290.367 0.948 20 0 CCADLP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001392455210 911813904 /nfs/dbraw/zinc/81/39/04/911813904.db2.gz RTJMECWUTRNUIQ-NEPJUHHUSA-N 2 2 295.387 0.146 20 0 CCADLP C[C@H](C[NH2+]Cc1ccn(C)n1)NC(=O)CCn1cc[nH+]c1 ZINC001392502305 911865552 /nfs/dbraw/zinc/86/55/52/911865552.db2.gz FYEVTLPGHGMQEG-GFCCVEGCSA-N 2 2 290.371 0.301 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@@H](C)n2cc[nH+]c2)[C@@H](C)C1 ZINC001322677666 911911494 /nfs/dbraw/zinc/91/14/94/911911494.db2.gz KPIKRKYQAOTPRC-NWDGAFQWSA-N 2 2 250.346 0.997 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@@H](C)n2cc[nH+]c2)[C@@H](C)C1 ZINC001322677666 911911502 /nfs/dbraw/zinc/91/15/02/911911502.db2.gz KPIKRKYQAOTPRC-NWDGAFQWSA-N 2 2 250.346 0.997 20 0 CCADLP Cc1oncc1C[NH2+]CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001322854813 911989376 /nfs/dbraw/zinc/98/93/76/911989376.db2.gz SSXGEIIMKCWREC-UHFFFAOYSA-N 2 2 291.355 0.818 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@H]2CC[N@H+]2C[C@H](C)O)c[nH+]1 ZINC001392845035 912195179 /nfs/dbraw/zinc/19/51/79/912195179.db2.gz WDTHKIJKZSWKHN-QWHCGFSZSA-N 2 2 294.399 0.498 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@H]2CC[N@@H+]2C[C@H](C)O)c[nH+]1 ZINC001392845035 912195188 /nfs/dbraw/zinc/19/51/88/912195188.db2.gz WDTHKIJKZSWKHN-QWHCGFSZSA-N 2 2 294.399 0.498 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001392869098 912211776 /nfs/dbraw/zinc/21/17/76/912211776.db2.gz MIPNIQVSDYUJEF-RYUDHWBXSA-N 2 2 280.372 0.188 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001392869098 912211794 /nfs/dbraw/zinc/21/17/94/912211794.db2.gz MIPNIQVSDYUJEF-RYUDHWBXSA-N 2 2 280.372 0.188 20 0 CCADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H]1CCNC1=O ZINC001328004516 914918593 /nfs/dbraw/zinc/91/85/93/914918593.db2.gz SPHHSTCQUJQECN-JTQLQIEISA-N 2 2 285.307 0.650 20 0 CCADLP Cc1cc(C[NH2+]C[C@@H](C)CNC(=O)Cc2c[nH]c[nH+]2)no1 ZINC001401140612 916069067 /nfs/dbraw/zinc/06/90/67/916069067.db2.gz FTZRRMVTSFTVQE-SNVBAGLBSA-N 2 2 291.355 0.791 20 0 CCADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1[NH2+]CCO ZINC001401291731 916163368 /nfs/dbraw/zinc/16/33/68/916163368.db2.gz BTHXOEXCQDUQOI-KGLIPLIRSA-N 2 2 294.399 0.482 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001329821139 916202789 /nfs/dbraw/zinc/20/27/89/916202789.db2.gz VKSRQRUKNHMIGB-UHFFFAOYSA-N 2 2 282.307 0.931 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccn1 ZINC001329977864 916331052 /nfs/dbraw/zinc/33/10/52/916331052.db2.gz YFSLSGGLHYMIMG-YPMHNXCESA-N 2 2 258.325 0.916 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001401908744 916684114 /nfs/dbraw/zinc/68/41/14/916684114.db2.gz NJXQDAQZKPMSEM-OCCSQVGLSA-N 2 2 294.399 0.578 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001401908744 916684145 /nfs/dbraw/zinc/68/41/45/916684145.db2.gz NJXQDAQZKPMSEM-OCCSQVGLSA-N 2 2 294.399 0.578 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccn1 ZINC001330620030 916748862 /nfs/dbraw/zinc/74/88/62/916748862.db2.gz CHRCNQKUZHKMDY-YGRLFVJLSA-N 2 2 258.325 0.985 20 0 CCADLP CCCC[NH+]1CC(N(C)C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001402034878 916767850 /nfs/dbraw/zinc/76/78/50/916767850.db2.gz UCXIDIQZUCTNDM-AWEZNQCLSA-N 2 2 297.443 0.897 20 0 CCADLP C[C@H](O)C[NH2+][C@@H](CNC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001402342416 916969350 /nfs/dbraw/zinc/96/93/50/916969350.db2.gz XFUXSPNFFUMDFE-AAEUAGOBSA-N 2 2 280.372 0.138 20 0 CCADLP CC[C@H](C)C[NH+]1CC(O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001402351589 916972825 /nfs/dbraw/zinc/97/28/25/916972825.db2.gz LCIJYYPDLQLEGB-LBPRGKRZSA-N 2 2 294.399 0.401 20 0 CCADLP CC(=O)NCC[NH+]1CCC([NH2+]C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC001402437191 917015764 /nfs/dbraw/zinc/01/57/64/917015764.db2.gz WZWMCFFRYIEWSD-DZGCQCFKSA-N 2 2 297.443 0.992 20 0 CCADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2CN2C(=O)[C@@H]3CC[C@@H]3C2=O)C1 ZINC001331030590 917033407 /nfs/dbraw/zinc/03/34/07/917033407.db2.gz MLRPRPDJAVOKHD-MQYQWHSLSA-N 2 2 291.395 0.755 20 0 CCADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2CN2C(=O)[C@@H]3CC[C@@H]3C2=O)C1 ZINC001331030590 917033419 /nfs/dbraw/zinc/03/34/19/917033419.db2.gz MLRPRPDJAVOKHD-MQYQWHSLSA-N 2 2 291.395 0.755 20 0 CCADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2CN2C(=O)[C@@H]3CC[C@@H]3C2=O)C1 ZINC001331030590 917033435 /nfs/dbraw/zinc/03/34/35/917033435.db2.gz MLRPRPDJAVOKHD-MQYQWHSLSA-N 2 2 291.395 0.755 20 0 CCADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2CN2C(=O)[C@@H]3CC[C@@H]3C2=O)C1 ZINC001331030590 917033446 /nfs/dbraw/zinc/03/34/46/917033446.db2.gz MLRPRPDJAVOKHD-MQYQWHSLSA-N 2 2 291.395 0.755 20 0 CCADLP O=C(NCC1([NH2+]CCO)CCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001402553165 917088290 /nfs/dbraw/zinc/08/82/90/917088290.db2.gz GKZYFOJHKNKTCX-GFCCVEGCSA-N 2 2 292.383 0.066 20 0 CCADLP CC(C)C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1)n1cc[nH+]c1 ZINC001402589600 917111691 /nfs/dbraw/zinc/11/16/91/917111691.db2.gz KVTYAGSHOKRESU-MJBXVCDLSA-N 2 2 294.399 0.699 20 0 CCADLP CO[C@H](C)C[N@H+](C)C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001402926527 917356349 /nfs/dbraw/zinc/35/63/49/917356349.db2.gz GEQXVOFTTLLLLN-KGLIPLIRSA-N 2 2 294.399 0.841 20 0 CCADLP CO[C@H](C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001402926527 917356362 /nfs/dbraw/zinc/35/63/62/917356362.db2.gz GEQXVOFTTLLLLN-KGLIPLIRSA-N 2 2 294.399 0.841 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccon1 ZINC001402992528 917404706 /nfs/dbraw/zinc/40/47/06/917404706.db2.gz BRNKVYMJDYFNBL-VXGBXAGGSA-N 2 2 291.355 0.863 20 0 CCADLP Cc1noc(C[NH2+][C@H](C)CNC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001403087424 917465631 /nfs/dbraw/zinc/46/56/31/917465631.db2.gz SOSYXFPHIMQXCY-PWSUYJOCSA-N 2 2 295.387 0.314 20 0 CCADLP Cc1noc(C[NH2+][C@H](C)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001403087424 917465638 /nfs/dbraw/zinc/46/56/38/917465638.db2.gz SOSYXFPHIMQXCY-PWSUYJOCSA-N 2 2 295.387 0.314 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+]Cc1ccnn1C ZINC001403094927 917475947 /nfs/dbraw/zinc/47/59/47/917475947.db2.gz KNWHQTMAQXXHIE-JTQLQIEISA-N 2 2 290.371 0.289 20 0 CCADLP Cn1c[nH+]cc1CCN1CC[NH+](CCCCO)CC1 ZINC001331760330 917581229 /nfs/dbraw/zinc/58/12/29/917581229.db2.gz SWHRUSQDUBLCAZ-UHFFFAOYSA-N 2 2 266.389 0.353 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC1(CCO)C[NH+](CC(C)C)C1 ZINC001403225664 917599936 /nfs/dbraw/zinc/59/99/36/917599936.db2.gz VTNCHTXGCINDNJ-UHFFFAOYSA-N 2 2 294.399 0.401 20 0 CCADLP O=C(NC12CC[NH+](CC1)C2)[C@H]1CCn2c[nH+]cc2C1 ZINC001332227954 917971846 /nfs/dbraw/zinc/97/18/46/917971846.db2.gz HNBMJHJASSCFRL-NSHDSACASA-N 2 2 260.341 0.410 20 0 CCADLP Cn1nc2c(c1C[NH2+]CCn1cc[nH+]c1)COCC2 ZINC001332298814 918029296 /nfs/dbraw/zinc/02/92/96/918029296.db2.gz AZQRRDLWVCXLFA-UHFFFAOYSA-N 2 2 261.329 0.479 20 0 CCADLP CNC(=O)C1([NH2+]CCCn2cc[nH+]c2)CCOCC1 ZINC001332374959 918103289 /nfs/dbraw/zinc/10/32/89/918103289.db2.gz BVZGOOXHEMRGNX-UHFFFAOYSA-N 2 2 266.345 0.158 20 0 CCADLP CC[C@@H](C(=O)N(C)CC[NH2+][C@H](C)c1ncccn1)[NH+](C)C ZINC001404467618 918359535 /nfs/dbraw/zinc/35/95/35/918359535.db2.gz OWTINYZLWJPZOU-OLZOCXBDSA-N 2 2 293.415 0.926 20 0 CCADLP C[C@H](O)[C@@H](O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001332701406 918392423 /nfs/dbraw/zinc/39/24/23/918392423.db2.gz VTEUSDWDMVFMLP-AVGNSLFASA-N 2 2 267.373 0.416 20 0 CCADLP C[C@H](O)[C@@H](O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001332701406 918392439 /nfs/dbraw/zinc/39/24/39/918392439.db2.gz VTEUSDWDMVFMLP-AVGNSLFASA-N 2 2 267.373 0.416 20 0 CCADLP CC[C@H](C(=O)NC1CN(Cc2c[nH+]cn2C)C1)[NH+](C)C ZINC001404786463 918465434 /nfs/dbraw/zinc/46/54/34/918465434.db2.gz RNKFRVJUZQMHHV-CYBMUJFWSA-N 2 2 279.388 0.061 20 0 CCADLP C[C@H]1[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[N@@H+]1C ZINC001332925085 918534981 /nfs/dbraw/zinc/53/49/81/918534981.db2.gz AHNOZWLWLUVJQP-GXSJLCMTSA-N 2 2 266.345 0.559 20 0 CCADLP C[C@H]1[C@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[N@H+]1C ZINC001332925085 918534996 /nfs/dbraw/zinc/53/49/96/918534996.db2.gz AHNOZWLWLUVJQP-GXSJLCMTSA-N 2 2 266.345 0.559 20 0 CCADLP CCN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001405174633 918634138 /nfs/dbraw/zinc/63/41/38/918634138.db2.gz MPMLYPKRDDYIFU-CHWSQXEVSA-N 2 2 294.399 0.266 20 0 CCADLP CCN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001405174633 918634149 /nfs/dbraw/zinc/63/41/49/918634149.db2.gz MPMLYPKRDDYIFU-CHWSQXEVSA-N 2 2 294.399 0.266 20 0 CCADLP Cn1c[nH+]cc1Cn1cc(CSCC[NH3+])nn1 ZINC001333113099 918661025 /nfs/dbraw/zinc/66/10/25/918661025.db2.gz KISAKDFIKJIVTK-UHFFFAOYSA-N 2 2 252.347 0.252 20 0 CCADLP C[C@H]1CC[C@@H](C[N@H+](C)CCN(C)C(=O)Cc2[nH]cc[nH+]2)O1 ZINC001406148130 919075218 /nfs/dbraw/zinc/07/52/18/919075218.db2.gz DIRFHVAQQVUSDW-STQMWFEESA-N 2 2 294.399 0.910 20 0 CCADLP C[C@H]1CC[C@@H](C[N@@H+](C)CCN(C)C(=O)Cc2[nH]cc[nH+]2)O1 ZINC001406148130 919075228 /nfs/dbraw/zinc/07/52/28/919075228.db2.gz DIRFHVAQQVUSDW-STQMWFEESA-N 2 2 294.399 0.910 20 0 CCADLP C[C@@H]1CC[C@H](C[N@H+](C)CCN(C)C(=O)Cc2[nH]cc[nH+]2)O1 ZINC001406148115 919076886 /nfs/dbraw/zinc/07/68/86/919076886.db2.gz DIRFHVAQQVUSDW-CHWSQXEVSA-N 2 2 294.399 0.910 20 0 CCADLP C[C@@H]1CC[C@H](C[N@@H+](C)CCN(C)C(=O)Cc2[nH]cc[nH+]2)O1 ZINC001406148115 919076897 /nfs/dbraw/zinc/07/68/97/919076897.db2.gz DIRFHVAQQVUSDW-CHWSQXEVSA-N 2 2 294.399 0.910 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001406379383 919224240 /nfs/dbraw/zinc/22/42/40/919224240.db2.gz IPVFCHBVUSSMAY-CKYFFXLPSA-N 2 2 295.387 0.628 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001406379383 919224253 /nfs/dbraw/zinc/22/42/53/919224253.db2.gz IPVFCHBVUSSMAY-CKYFFXLPSA-N 2 2 295.387 0.628 20 0 CCADLP Cc1cc(C[NH2+]C[C@H](C)NC(=O)CCn2cc[nH+]c2)on1 ZINC001406518694 919316320 /nfs/dbraw/zinc/31/63/20/919316320.db2.gz UJHQROULDMVRKN-LBPRGKRZSA-N 2 2 291.355 0.864 20 0 CCADLP C[C@@H](C[N@H+](C)C[C@H]1CCCCO1)NC(=O)Cn1cc[nH+]c1 ZINC001406701592 919436667 /nfs/dbraw/zinc/43/66/67/919436667.db2.gz YPNLILYWKYGONM-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@@H](C[N@@H+](C)C[C@H]1CCCCO1)NC(=O)Cn1cc[nH+]c1 ZINC001406701592 919436676 /nfs/dbraw/zinc/43/66/76/919436676.db2.gz YPNLILYWKYGONM-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP CC[C@@H](C[N@@H+]1CC[C@H]1CNC(=O)Cc1c[nH+]cn1C)OC ZINC001406867479 919506176 /nfs/dbraw/zinc/50/61/76/919506176.db2.gz AXRVWXWADQTLGS-JSGCOSHPSA-N 2 2 294.399 0.578 20 0 CCADLP CC[C@@H](C[N@H+]1CC[C@H]1CNC(=O)Cc1c[nH+]cn1C)OC ZINC001406867479 919506184 /nfs/dbraw/zinc/50/61/84/919506184.db2.gz AXRVWXWADQTLGS-JSGCOSHPSA-N 2 2 294.399 0.578 20 0 CCADLP CC[NH+](CC)C[C@@H](F)C(=O)N(C)C1C[NH+](CCCO)C1 ZINC001407054833 919591456 /nfs/dbraw/zinc/59/14/56/919591456.db2.gz OQUONPYCODNZHM-CYBMUJFWSA-N 2 2 289.395 0.191 20 0 CCADLP COCC[N@@H+]1CCC[C@@](C)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001407285257 919686794 /nfs/dbraw/zinc/68/67/94/919686794.db2.gz BLZGWZZKEXIINK-HNNXBMFYSA-N 2 2 294.399 0.817 20 0 CCADLP COCC[N@H+]1CCC[C@@](C)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001407285257 919686802 /nfs/dbraw/zinc/68/68/02/919686802.db2.gz BLZGWZZKEXIINK-HNNXBMFYSA-N 2 2 294.399 0.817 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC1(O)C[NH+](CC2CC2)C1 ZINC001407413388 919745768 /nfs/dbraw/zinc/74/57/68/919745768.db2.gz HEYYFKHKYIERDX-CYBMUJFWSA-N 2 2 281.400 0.044 20 0 CCADLP CCC(CC)C[NH+]1CC(O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001407502300 919783922 /nfs/dbraw/zinc/78/39/22/919783922.db2.gz MGGZNWORJNUDSQ-UHFFFAOYSA-N 2 2 294.399 0.482 20 0 CCADLP [NH3+]Cc1ccccc1NC(=O)C(=O)N1CCn2c[nH+]cc2C1 ZINC001334838476 919796242 /nfs/dbraw/zinc/79/62/42/919796242.db2.gz XNIPEMVOVURXJF-UHFFFAOYSA-N 2 2 299.334 0.323 20 0 CCADLP COCC[C@@H]([NH3+])c1nc([C@@H]2C[NH+]3CCC2CC3)no1 ZINC001334856218 919802545 /nfs/dbraw/zinc/80/25/45/919802545.db2.gz CLUPBIQUMRPDLH-GHMZBOCLSA-N 2 2 266.345 0.915 20 0 CCADLP CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001408034529 919991596 /nfs/dbraw/zinc/99/15/96/919991596.db2.gz JEAWUNZCGOLIQY-JMSVASOKSA-N 2 2 292.383 0.476 20 0 CCADLP CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001408034529 919991607 /nfs/dbraw/zinc/99/16/07/919991607.db2.gz JEAWUNZCGOLIQY-JMSVASOKSA-N 2 2 292.383 0.476 20 0 CCADLP C[C@H]1CC[N@H+](CC[NH2+]C[C@@H](O)CC2(O)CCCC2)C1 ZINC001335442877 920197358 /nfs/dbraw/zinc/19/73/58/920197358.db2.gz AXDQUWRHBUTEEQ-KBPBESRZSA-N 2 2 270.417 0.974 20 0 CCADLP C[C@H]1CC[N@@H+](CC[NH2+]C[C@@H](O)CC2(O)CCCC2)C1 ZINC001335442877 920197362 /nfs/dbraw/zinc/19/73/62/920197362.db2.gz AXDQUWRHBUTEEQ-KBPBESRZSA-N 2 2 270.417 0.974 20 0 CCADLP C[C@@H](C[NH2+]CC(C)(C)n1cc[nH+]c1)S(C)(=O)=O ZINC001335487211 920229420 /nfs/dbraw/zinc/22/94/20/920229420.db2.gz VTSNLKPPKCXKST-JTQLQIEISA-N 2 2 259.375 0.641 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC001335524482 920254905 /nfs/dbraw/zinc/25/49/05/920254905.db2.gz CRJYOTGCJDCQSA-JTQLQIEISA-N 2 2 251.334 0.299 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCCc2cn(C)c[nH+]2)C1 ZINC001414664475 920451952 /nfs/dbraw/zinc/45/19/52/920451952.db2.gz JRRSAQIQEZTNTN-ZDUSSCGKSA-N 2 2 293.415 0.992 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCCc2cn(C)c[nH+]2)C1 ZINC001414664475 920451964 /nfs/dbraw/zinc/45/19/64/920451964.db2.gz JRRSAQIQEZTNTN-ZDUSSCGKSA-N 2 2 293.415 0.992 20 0 CCADLP COC(=O)c1cnc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC001339935112 921887979 /nfs/dbraw/zinc/88/79/79/921887979.db2.gz YRZPAELGIJFXQG-NXEZZACHSA-N 2 2 264.329 0.290 20 0 CCADLP COC(=O)c1cnc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cn1 ZINC001339935112 921887989 /nfs/dbraw/zinc/88/79/89/921887989.db2.gz YRZPAELGIJFXQG-NXEZZACHSA-N 2 2 264.329 0.290 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001340700735 922174099 /nfs/dbraw/zinc/17/40/99/922174099.db2.gz FMQJRBHWBFEEGE-KGYLQXTDSA-N 2 2 262.357 0.702 20 0 CCADLP CN1CC[NH2+]C[C@H]1C(=O)NCCCCNc1cccc[nH+]1 ZINC001340845574 922236194 /nfs/dbraw/zinc/23/61/94/922236194.db2.gz QLCPWEPNAWBHTE-ZDUSSCGKSA-N 2 2 291.399 0.294 20 0 CCADLP CC[N@H+](CCNC(=O)CCc1c[nH+]cn1C)C[C@@H](C)O ZINC001418571771 922274274 /nfs/dbraw/zinc/27/42/74/922274274.db2.gz BKVWOVDYXUYXIK-GFCCVEGCSA-N 2 2 282.388 0.172 20 0 CCADLP CC[N@@H+](CCNC(=O)CCc1c[nH+]cn1C)C[C@@H](C)O ZINC001418571771 922274282 /nfs/dbraw/zinc/27/42/82/922274282.db2.gz BKVWOVDYXUYXIK-GFCCVEGCSA-N 2 2 282.388 0.172 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1c[nH+]cn1C ZINC001418593577 922288457 /nfs/dbraw/zinc/28/84/57/922288457.db2.gz KKJNTTLUTPXGSR-STQMWFEESA-N 2 2 294.399 0.530 20 0 CCADLP CCC[N@H+](CCNC(=O)Cc1c[nH+]cn1C)C[C@H](C)O ZINC001418730561 922394991 /nfs/dbraw/zinc/39/49/91/922394991.db2.gz ZYXXHOCQJDUJDC-LBPRGKRZSA-N 2 2 282.388 0.172 20 0 CCADLP CCC[N@@H+](CCNC(=O)Cc1c[nH+]cn1C)C[C@H](C)O ZINC001418730561 922395008 /nfs/dbraw/zinc/39/50/08/922395008.db2.gz ZYXXHOCQJDUJDC-LBPRGKRZSA-N 2 2 282.388 0.172 20 0 CCADLP [NH3+][C@H](CC(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21)C(F)F ZINC001341541866 922541571 /nfs/dbraw/zinc/54/15/71/922541571.db2.gz YLDNFJHTLFRZOH-AEJSXWLSSA-N 2 2 261.316 0.569 20 0 CCADLP O=C(NCC[NH+]1CCCC1)[C@@H]1[NH2+]CCc2occc21 ZINC001341629656 922590851 /nfs/dbraw/zinc/59/08/51/922590851.db2.gz IJJYGSCKFSPSGM-CYBMUJFWSA-N 2 2 263.341 0.678 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)C[C@@H]([NH3+])C(F)F ZINC001341662288 922613523 /nfs/dbraw/zinc/61/35/23/922613523.db2.gz KBOXBCMPRKQXDD-SECBINFHSA-N 2 2 260.288 0.680 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H]([NH3+])C(F)F ZINC001341684085 922628405 /nfs/dbraw/zinc/62/84/05/922628405.db2.gz LDUHVQGICOKMFN-VHSXEESVSA-N 2 2 263.332 0.960 20 0 CCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H]([NH3+])C(F)F ZINC001341684085 922628412 /nfs/dbraw/zinc/62/84/12/922628412.db2.gz LDUHVQGICOKMFN-VHSXEESVSA-N 2 2 263.332 0.960 20 0 CCADLP CC(C)C[NH+]1CCN(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001419137772 922656905 /nfs/dbraw/zinc/65/69/05/922656905.db2.gz MOGGLMQQPYYICH-UHFFFAOYSA-N 2 2 293.415 0.342 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001341763261 922662854 /nfs/dbraw/zinc/66/28/54/922662854.db2.gz CJCIZMNQBBTEJX-IJLUTSLNSA-N 2 2 262.357 0.832 20 0 CCADLP CO[C@H](C)C[N@@H+]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001419621289 922949728 /nfs/dbraw/zinc/94/97/28/922949728.db2.gz SSXPQABGIBYVQC-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP CO[C@H](C)C[N@H+]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001419621289 922949738 /nfs/dbraw/zinc/94/97/38/922949738.db2.gz SSXPQABGIBYVQC-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21)n1cc[nH+]c1 ZINC001419663314 922985590 /nfs/dbraw/zinc/98/55/90/922985590.db2.gz WPWUCQQLRNYZII-JYKNGBAOSA-N 2 2 292.383 0.261 20 0 CCADLP C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)O)C[C@H]21)n1cc[nH+]c1 ZINC001419663314 922985601 /nfs/dbraw/zinc/98/56/01/922985601.db2.gz WPWUCQQLRNYZII-JYKNGBAOSA-N 2 2 292.383 0.261 20 0 CCADLP [NH3+]CC[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001342723145 923070231 /nfs/dbraw/zinc/07/02/31/923070231.db2.gz MEAOFPIOUXTVDS-NEPJUHHUSA-N 2 2 262.357 0.643 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC001419909682 923158356 /nfs/dbraw/zinc/15/83/56/923158356.db2.gz KMMFDUPPTLBZLH-MNOVXSKESA-N 2 2 296.419 0.610 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC001419909682 923158362 /nfs/dbraw/zinc/15/83/62/923158362.db2.gz KMMFDUPPTLBZLH-MNOVXSKESA-N 2 2 296.419 0.610 20 0 CCADLP CN(CC[N@H+](C)C[C@H]1CCOC1)C(=O)Cc1c[nH+]cn1C ZINC001420035888 923250729 /nfs/dbraw/zinc/25/07/29/923250729.db2.gz HFFVLSQIOQTZHM-CYBMUJFWSA-N 2 2 294.399 0.389 20 0 CCADLP CN(CC[N@@H+](C)C[C@H]1CCOC1)C(=O)Cc1c[nH+]cn1C ZINC001420035888 923250742 /nfs/dbraw/zinc/25/07/42/923250742.db2.gz HFFVLSQIOQTZHM-CYBMUJFWSA-N 2 2 294.399 0.389 20 0 CCADLP C[NH2+]C1CC(C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC001343431737 923314049 /nfs/dbraw/zinc/31/40/49/923314049.db2.gz NOBUSJQGWIMVEK-UHFFFAOYSA-N 2 2 258.325 0.949 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001343629162 923396764 /nfs/dbraw/zinc/39/67/64/923396764.db2.gz SJKWDWIOKMRYCX-NSHDSACASA-N 2 2 250.346 0.767 20 0 CCADLP CN1CC[NH+](CCCCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001343708225 923432587 /nfs/dbraw/zinc/43/25/87/923432587.db2.gz OPVFLSINIAEUKM-UHFFFAOYSA-N 2 2 279.388 0.027 20 0 CCADLP C[C@H](C[NH2+]Cc1cscn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001420277566 923490139 /nfs/dbraw/zinc/49/01/39/923490139.db2.gz KXQGSIPSTDEFJU-ZYHUDNBSSA-N 2 2 298.412 0.068 20 0 CCADLP C[C@H](C[NH2+]Cc1cscn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001420277566 923490144 /nfs/dbraw/zinc/49/01/44/923490144.db2.gz KXQGSIPSTDEFJU-ZYHUDNBSSA-N 2 2 298.412 0.068 20 0 CCADLP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)Cc1cncs1 ZINC001420348838 923561748 /nfs/dbraw/zinc/56/17/48/923561748.db2.gz WDCWZISGRHCNTK-NSHDSACASA-N 2 2 282.413 0.643 20 0 CCADLP C[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)Cc1cncs1 ZINC001420348838 923561754 /nfs/dbraw/zinc/56/17/54/923561754.db2.gz WDCWZISGRHCNTK-NSHDSACASA-N 2 2 282.413 0.643 20 0 CCADLP C[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1cncs1 ZINC001420348838 923561766 /nfs/dbraw/zinc/56/17/66/923561766.db2.gz WDCWZISGRHCNTK-NSHDSACASA-N 2 2 282.413 0.643 20 0 CCADLP C[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1cncs1 ZINC001420348838 923561769 /nfs/dbraw/zinc/56/17/69/923561769.db2.gz WDCWZISGRHCNTK-NSHDSACASA-N 2 2 282.413 0.643 20 0 CCADLP Cc1ncccc1C[N@H+](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001420360808 923576996 /nfs/dbraw/zinc/57/69/96/923576996.db2.gz DAHBBRIROYXNNG-UHFFFAOYSA-N 2 2 287.367 0.835 20 0 CCADLP Cc1ncccc1C[N@@H+](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001420360808 923577002 /nfs/dbraw/zinc/57/70/02/923577002.db2.gz DAHBBRIROYXNNG-UHFFFAOYSA-N 2 2 287.367 0.835 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001420577239 923795572 /nfs/dbraw/zinc/79/55/72/923795572.db2.gz VEFQVGWGVSFYTR-QWHCGFSZSA-N 2 2 280.372 0.356 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001420577239 923795584 /nfs/dbraw/zinc/79/55/84/923795584.db2.gz VEFQVGWGVSFYTR-QWHCGFSZSA-N 2 2 280.372 0.356 20 0 CCADLP C[C@@H](C[N@H+](C)CCO)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001420596893 923810865 /nfs/dbraw/zinc/81/08/65/923810865.db2.gz RICZNHNYGUWQIO-JTQLQIEISA-N 2 2 276.340 0.605 20 0 CCADLP C[C@@H](C[N@@H+](C)CCO)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001420596893 923810877 /nfs/dbraw/zinc/81/08/77/923810877.db2.gz RICZNHNYGUWQIO-JTQLQIEISA-N 2 2 276.340 0.605 20 0 CCADLP C[C@@H]([NH2+]CCO)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001420750991 923920326 /nfs/dbraw/zinc/92/03/26/923920326.db2.gz SITQZUQGUUAZMW-GFCCVEGCSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H]([NH2+]CCO)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001420750991 923920333 /nfs/dbraw/zinc/92/03/33/923920333.db2.gz SITQZUQGUUAZMW-GFCCVEGCSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H]([NH2+]CCO)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001420750992 923921584 /nfs/dbraw/zinc/92/15/84/923921584.db2.gz SITQZUQGUUAZMW-LBPRGKRZSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H]([NH2+]CCO)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001420750992 923921596 /nfs/dbraw/zinc/92/15/96/923921596.db2.gz SITQZUQGUUAZMW-LBPRGKRZSA-N 2 2 294.399 0.551 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CC[N@@H+]1C[C@H]1CCOC1 ZINC001420852323 923979530 /nfs/dbraw/zinc/97/95/30/923979530.db2.gz UFHUGZUAAGCTMA-ZIAGYGMSSA-N 2 2 292.383 0.500 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CC[N@H+]1C[C@H]1CCOC1 ZINC001420852323 923979536 /nfs/dbraw/zinc/97/95/36/923979536.db2.gz UFHUGZUAAGCTMA-ZIAGYGMSSA-N 2 2 292.383 0.500 20 0 CCADLP O=C(NCC1([NH2+]CCF)CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001420959590 924055894 /nfs/dbraw/zinc/05/58/94/924055894.db2.gz QECFJLBPFGLTEM-LLVKDONJSA-N 2 2 280.347 0.653 20 0 CCADLP [NH3+]C1(CNC(=O)NCCCCn2cc[nH+]c2)CC1 ZINC001346212713 924112301 /nfs/dbraw/zinc/11/23/01/924112301.db2.gz FHJSGDVKWYZBFQ-UHFFFAOYSA-N 2 2 251.334 0.454 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001421097532 924149059 /nfs/dbraw/zinc/14/90/59/924149059.db2.gz IOFBRAFKCDOYTH-UKRRQHHQSA-N 2 2 297.443 0.942 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001421124275 924166458 /nfs/dbraw/zinc/16/64/58/924166458.db2.gz ZTCFWJXSRWIZMS-JSGCOSHPSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001421124275 924166465 /nfs/dbraw/zinc/16/64/65/924166465.db2.gz ZTCFWJXSRWIZMS-JSGCOSHPSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@](O)(C[C@H](O)C[NH2+][C@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC001346338161 924167718 /nfs/dbraw/zinc/16/77/18/924167718.db2.gz DKNQAJFIYLJYOS-UBHSHLNASA-N 2 2 265.357 0.309 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CC[NH2+][C@H]1C ZINC001346582398 924268529 /nfs/dbraw/zinc/26/85/29/924268529.db2.gz IOOQIAZRLUTERZ-AGIUHOORSA-N 2 2 269.389 0.164 20 0 CCADLP CC[NH2+]CC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001349419915 924954763 /nfs/dbraw/zinc/95/47/63/924954763.db2.gz CIAKEYIWVYKSSR-LBPRGKRZSA-N 2 2 264.373 0.811 20 0 CCADLP C[NH+]1CCC(ONC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001349644037 925011742 /nfs/dbraw/zinc/01/17/42/925011742.db2.gz IOKRBUQFLXIKBS-NSHDSACASA-N 2 2 278.356 0.588 20 0 CCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001353665906 925898340 /nfs/dbraw/zinc/89/83/40/925898340.db2.gz JNFXEGPFDPWTNH-MDZLAQPJSA-N 2 2 260.341 0.266 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)CCCCC[NH3+] ZINC001354854952 926175519 /nfs/dbraw/zinc/17/55/19/926175519.db2.gz WAZIXAOEVVUKFJ-CYBMUJFWSA-N 2 2 271.405 0.733 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)N[C@@H]2CC=CCC2)CC1 ZINC001357167004 926492434 /nfs/dbraw/zinc/49/24/34/926492434.db2.gz RBRGAXYFZMEEMU-CYBMUJFWSA-N 2 2 266.389 0.817 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)CNCC[NH3+])c1ccccc1Cl ZINC001357336795 926513176 /nfs/dbraw/zinc/51/31/76/926513176.db2.gz FGCBETMQVUHHEM-ZDUSSCGKSA-N 2 2 298.818 0.607 20 0 CCADLP CC(C)(C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1c[nH+]c[nH]1 ZINC001358023456 926622033 /nfs/dbraw/zinc/62/20/33/926622033.db2.gz LSWXSRREJMUOFQ-IINYFYTJSA-N 2 2 262.357 0.755 20 0 CCADLP CC(C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001421461470 926763945 /nfs/dbraw/zinc/76/39/45/926763945.db2.gz XISCYEACDKXVTD-ZDUSSCGKSA-N 2 2 283.416 0.290 20 0 CCADLP CC(C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001421461470 926763953 /nfs/dbraw/zinc/76/39/53/926763953.db2.gz XISCYEACDKXVTD-ZDUSSCGKSA-N 2 2 283.416 0.290 20 0 CCADLP C[C@@H](O)C[NH2+]C1(CNC(=O)C[C@H](C)n2cc[nH+]c2)CCC1 ZINC001421782323 926906616 /nfs/dbraw/zinc/90/66/16/926906616.db2.gz XBRLPDMGXFZHFG-QWHCGFSZSA-N 2 2 294.399 0.844 20 0 CCADLP CN(CCC[N@H+](C)CCO)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001421856133 926948654 /nfs/dbraw/zinc/94/86/54/926948654.db2.gz AWHIAERSHGIBKI-CYBMUJFWSA-N 2 2 294.399 0.218 20 0 CCADLP CN(CCC[N@@H+](C)CCO)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001421856133 926948662 /nfs/dbraw/zinc/94/86/62/926948662.db2.gz AWHIAERSHGIBKI-CYBMUJFWSA-N 2 2 294.399 0.218 20 0 CCADLP C[C@@H](O)C[N@H+](C)CCN(C)C(=O)CCc1[nH+]ccn1C ZINC001422180922 927131741 /nfs/dbraw/zinc/13/17/41/927131741.db2.gz AWHICZPPWNWHCG-GFCCVEGCSA-N 2 2 282.388 0.124 20 0 CCADLP C[C@@H](O)C[N@@H+](C)CCN(C)C(=O)CCc1[nH+]ccn1C ZINC001422180922 927131753 /nfs/dbraw/zinc/13/17/53/927131753.db2.gz AWHICZPPWNWHCG-GFCCVEGCSA-N 2 2 282.388 0.124 20 0 CCADLP CC1CC(C[NH2+]C[C@@H](O)CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001422384492 927258692 /nfs/dbraw/zinc/25/86/92/927258692.db2.gz AEGIZDXOKMDVCK-HTAVTVPLSA-N 2 2 280.372 0.065 20 0 CCADLP CO[C@H](C)C[NH+]1CC([C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001422760944 927492108 /nfs/dbraw/zinc/49/21/08/927492108.db2.gz KSWAPKBCRMQYNB-NEPJUHHUSA-N 2 2 280.372 0.355 20 0 CCADLP C[C@@H](C[N@H+](C)CC1CCOCC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001422893475 927576116 /nfs/dbraw/zinc/57/61/16/927576116.db2.gz FTXNYDBTCIWHQN-LBPRGKRZSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H](C[N@@H+](C)CC1CCOCC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001422893475 927576123 /nfs/dbraw/zinc/57/61/23/927576123.db2.gz FTXNYDBTCIWHQN-LBPRGKRZSA-N 2 2 294.399 0.815 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001362070415 927584138 /nfs/dbraw/zinc/58/41/38/927584138.db2.gz SFOYAKPSZYIEQD-LSDHHAIUSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H](C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001362070415 927584148 /nfs/dbraw/zinc/58/41/48/927584148.db2.gz SFOYAKPSZYIEQD-LSDHHAIUSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)Cc1cnnn1C ZINC001422920570 927591106 /nfs/dbraw/zinc/59/11/06/927591106.db2.gz SPHXWRVBGIIRTE-LBPRGKRZSA-N 2 2 296.419 0.092 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)Cc1cnnn1C ZINC001422920570 927591113 /nfs/dbraw/zinc/59/11/13/927591113.db2.gz SPHXWRVBGIIRTE-LBPRGKRZSA-N 2 2 296.419 0.092 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)Cc1cnnn1C ZINC001422920570 927591122 /nfs/dbraw/zinc/59/11/22/927591122.db2.gz SPHXWRVBGIIRTE-LBPRGKRZSA-N 2 2 296.419 0.092 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)Cc1cnnn1C ZINC001422920570 927591133 /nfs/dbraw/zinc/59/11/33/927591133.db2.gz SPHXWRVBGIIRTE-LBPRGKRZSA-N 2 2 296.419 0.092 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC001362190306 927711632 /nfs/dbraw/zinc/71/16/32/927711632.db2.gz QXSCTSYWTZOADS-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC001362190306 927711641 /nfs/dbraw/zinc/71/16/41/927711641.db2.gz QXSCTSYWTZOADS-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC001362190306 927711647 /nfs/dbraw/zinc/71/16/47/927711647.db2.gz QXSCTSYWTZOADS-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC001362190306 927711656 /nfs/dbraw/zinc/71/16/56/927711656.db2.gz QXSCTSYWTZOADS-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP COC1CC[NH+](CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001362193442 927715215 /nfs/dbraw/zinc/71/52/15/927715215.db2.gz NEFHGSSWNIYKOE-UHFFFAOYSA-N 2 2 280.372 0.488 20 0 CCADLP CC(C)C[NH2+][C@@H](CO)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001423289714 927790671 /nfs/dbraw/zinc/79/06/71/927790671.db2.gz MICZBLUEFPAARB-QWHCGFSZSA-N 2 2 282.388 0.557 20 0 CCADLP C[C@H](O)C[N@@H+]1CCC[C@](C)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001423706874 927962980 /nfs/dbraw/zinc/96/29/80/927962980.db2.gz WZWDFMPRKSXZIL-SWLSCSKDSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](O)C[N@H+]1CCC[C@](C)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001423706874 927962985 /nfs/dbraw/zinc/96/29/85/927962985.db2.gz WZWDFMPRKSXZIL-SWLSCSKDSA-N 2 2 294.399 0.551 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[N@H+](C)CCCO ZINC001424338393 928163396 /nfs/dbraw/zinc/16/33/96/928163396.db2.gz XJYQORXKCCJPDN-UHFFFAOYSA-N 2 2 282.388 0.423 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[N@@H+](C)CCCO ZINC001424338393 928163412 /nfs/dbraw/zinc/16/34/12/928163412.db2.gz XJYQORXKCCJPDN-UHFFFAOYSA-N 2 2 282.388 0.423 20 0 CCADLP CCC[NH+]1CCC(CO)(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001424666982 928240581 /nfs/dbraw/zinc/24/05/81/928240581.db2.gz YYAKJUIVCXCFJK-UHFFFAOYSA-N 2 2 280.372 0.305 20 0 CCADLP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1cnn(C)c1 ZINC001424867734 928325426 /nfs/dbraw/zinc/32/54/26/928325426.db2.gz VRAVHLWTNNVFRK-RYUDHWBXSA-N 2 2 290.371 0.300 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC001362705742 928386524 /nfs/dbraw/zinc/38/65/24/928386524.db2.gz MEHWDCLGDLAYBC-RYUDHWBXSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC001362705742 928386534 /nfs/dbraw/zinc/38/65/34/928386534.db2.gz MEHWDCLGDLAYBC-RYUDHWBXSA-N 2 2 280.372 0.256 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[N@@H+](C)CCC[C@@H](C)O ZINC001425055354 928414334 /nfs/dbraw/zinc/41/43/34/928414334.db2.gz KTZANBLECQERMH-VXGBXAGGSA-N 2 2 296.415 0.858 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[N@H+](C)CCC[C@@H](C)O ZINC001425055354 928414338 /nfs/dbraw/zinc/41/43/38/928414338.db2.gz KTZANBLECQERMH-VXGBXAGGSA-N 2 2 296.415 0.858 20 0 CCADLP CO[C@H](C)C[NH+]1CC([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001425240725 928475514 /nfs/dbraw/zinc/47/55/14/928475514.db2.gz DPLQGJRWTDFFMR-GHMZBOCLSA-N 2 2 280.372 0.424 20 0 CCADLP Cc1[nH]c(CNC(=O)C2CN(C)CC[N@H+](C)C2)c(C)[nH+]1 ZINC001362946894 928683445 /nfs/dbraw/zinc/68/34/45/928683445.db2.gz RROGNCIACKJJOR-UHFFFAOYSA-N 2 2 279.388 0.136 20 0 CCADLP Cc1[nH]c(CNC(=O)C2CN(C)CC[N@@H+](C)C2)c(C)[nH+]1 ZINC001362946894 928683454 /nfs/dbraw/zinc/68/34/54/928683454.db2.gz RROGNCIACKJJOR-UHFFFAOYSA-N 2 2 279.388 0.136 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NCC[NH+]1CCC(O)CC1 ZINC001362968626 928708540 /nfs/dbraw/zinc/70/85/40/928708540.db2.gz QTSPUQDQJBRIII-UHFFFAOYSA-N 2 2 280.372 0.236 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC001425952368 928715586 /nfs/dbraw/zinc/71/55/86/928715586.db2.gz IMWLUYDSABCMNC-DGCLKSJQSA-N 2 2 294.399 0.814 20 0 CCADLP CC[C@@H](F)C[NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001426046804 928739307 /nfs/dbraw/zinc/73/93/07/928739307.db2.gz BWROMVDCSSYMCD-NEPJUHHUSA-N 2 2 286.351 0.040 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC001426673175 928894677 /nfs/dbraw/zinc/89/46/77/928894677.db2.gz SPRXHIRMNGRJEO-GFCCVEGCSA-N 2 2 291.399 0.746 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC001426673175 928894687 /nfs/dbraw/zinc/89/46/87/928894687.db2.gz SPRXHIRMNGRJEO-GFCCVEGCSA-N 2 2 291.399 0.746 20 0 CCADLP C[N@H+](CC(=O)N[C@H]1CCn2c[nH+]cc21)[C@@H]1CCC[C@H]1O ZINC001363315114 929107149 /nfs/dbraw/zinc/10/71/49/929107149.db2.gz NHISDRPZBICMEF-DMDPSCGWSA-N 2 2 278.356 0.289 20 0 CCADLP C[N@@H+](CC(=O)N[C@H]1CCn2c[nH+]cc21)[C@@H]1CCC[C@H]1O ZINC001363315114 929107155 /nfs/dbraw/zinc/10/71/55/929107155.db2.gz NHISDRPZBICMEF-DMDPSCGWSA-N 2 2 278.356 0.289 20 0 CCADLP Cc1cccnc1C[N@H+](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001372256509 929786407 /nfs/dbraw/zinc/78/64/07/929786407.db2.gz LILAYOIMRLYMAW-UHFFFAOYSA-N 2 2 287.367 0.835 20 0 CCADLP Cc1cccnc1C[N@@H+](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001372256509 929786424 /nfs/dbraw/zinc/78/64/24/929786424.db2.gz LILAYOIMRLYMAW-UHFFFAOYSA-N 2 2 287.367 0.835 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@@H]2CC[N@H+](CCO)C2)c[nH+]1 ZINC001372628828 929900068 /nfs/dbraw/zinc/90/00/68/929900068.db2.gz QVRHDLFOTQUNGR-ZDUSSCGKSA-N 2 2 294.399 0.357 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@@H]2CC[N@@H+](CCO)C2)c[nH+]1 ZINC001372628828 929900075 /nfs/dbraw/zinc/90/00/75/929900075.db2.gz QVRHDLFOTQUNGR-ZDUSSCGKSA-N 2 2 294.399 0.357 20 0 CCADLP C[C@H](C[NH2+]CC1CCOCC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001444724487 929939534 /nfs/dbraw/zinc/93/95/34/929939534.db2.gz KXUAZFYIQKGGJN-CYBMUJFWSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@H](C[NH2+]Cc1csnn1)NC(=O)C[NH+]1CCCC1 ZINC001445500892 930147980 /nfs/dbraw/zinc/14/79/80/930147980.db2.gz MKKALHFIZVAWSN-SNVBAGLBSA-N 2 2 283.401 0.228 20 0 CCADLP C[C@H](C[N@H+](C)Cc1ccn(C)n1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001445691367 930213942 /nfs/dbraw/zinc/21/39/42/930213942.db2.gz UJLZNWFZUKCYET-OCCSQVGLSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@H](C[N@@H+](C)Cc1ccn(C)n1)NC(=O)[C@@H]1CCC[NH+]1C ZINC001445691367 930213950 /nfs/dbraw/zinc/21/39/50/930213950.db2.gz UJLZNWFZUKCYET-OCCSQVGLSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@H](C[NH+](C)Cc1ccn(C)n1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001445691367 930213963 /nfs/dbraw/zinc/21/39/63/930213963.db2.gz UJLZNWFZUKCYET-OCCSQVGLSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@H](C[NH+](C)Cc1ccn(C)n1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001445691367 930213973 /nfs/dbraw/zinc/21/39/73/930213973.db2.gz UJLZNWFZUKCYET-OCCSQVGLSA-N 2 2 293.415 0.451 20 0 CCADLP COCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001445762647 930242245 /nfs/dbraw/zinc/24/22/45/930242245.db2.gz LCAZODYNFHWLKC-CHWSQXEVSA-N 2 2 294.399 0.528 20 0 CCADLP COCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001445762647 930242254 /nfs/dbraw/zinc/24/22/54/930242254.db2.gz LCAZODYNFHWLKC-CHWSQXEVSA-N 2 2 294.399 0.528 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)CC(=O)NC ZINC001445885845 930279333 /nfs/dbraw/zinc/27/93/33/930279333.db2.gz RNMGEPQATXCNSH-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)CC(=O)NC ZINC001445885845 930279343 /nfs/dbraw/zinc/27/93/43/930279343.db2.gz RNMGEPQATXCNSH-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC ZINC001445885845 930279353 /nfs/dbraw/zinc/27/93/53/930279353.db2.gz RNMGEPQATXCNSH-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC ZINC001445885845 930279362 /nfs/dbraw/zinc/27/93/62/930279362.db2.gz RNMGEPQATXCNSH-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001373649149 930283072 /nfs/dbraw/zinc/28/30/72/930283072.db2.gz BMRLQUAPRKODFG-QWHCGFSZSA-N 2 2 294.399 0.578 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001373649149 930283082 /nfs/dbraw/zinc/28/30/82/930283082.db2.gz BMRLQUAPRKODFG-QWHCGFSZSA-N 2 2 294.399 0.578 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCN1Cc1c[nH+]cn1C ZINC001446124245 930340617 /nfs/dbraw/zinc/34/06/17/930340617.db2.gz IQQOYFXEAQUZOW-ZDUSSCGKSA-N 2 2 293.415 0.451 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCN1Cc1c[nH+]cn1C ZINC001446124245 930340636 /nfs/dbraw/zinc/34/06/36/930340636.db2.gz IQQOYFXEAQUZOW-ZDUSSCGKSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CCCC1 ZINC001446498180 930419166 /nfs/dbraw/zinc/41/91/66/930419166.db2.gz KFTSFIGGRXWJHZ-YPMHNXCESA-N 2 2 294.399 0.598 20 0 CCADLP O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N1CC[NH+](CCCO)CC1 ZINC001374103931 930422887 /nfs/dbraw/zinc/42/28/87/930422887.db2.gz MBDOLDRPAQLTFM-CABCVRRESA-N 2 2 295.427 0.530 20 0 CCADLP O=C([C@@H]1CC[C@H]2CCCC[N@H+]21)N1CC[NH+](CCCO)CC1 ZINC001374103931 930422899 /nfs/dbraw/zinc/42/28/99/930422899.db2.gz MBDOLDRPAQLTFM-CABCVRRESA-N 2 2 295.427 0.530 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@@](C)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001446543377 930432778 /nfs/dbraw/zinc/43/27/78/930432778.db2.gz WUDZCVZBFPZWAX-IUODEOHRSA-N 2 2 294.399 0.958 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001446543377 930432781 /nfs/dbraw/zinc/43/27/81/930432781.db2.gz WUDZCVZBFPZWAX-IUODEOHRSA-N 2 2 294.399 0.958 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@@](C)(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001446543377 930432786 /nfs/dbraw/zinc/43/27/86/930432786.db2.gz WUDZCVZBFPZWAX-IUODEOHRSA-N 2 2 294.399 0.958 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001446543377 930432788 /nfs/dbraw/zinc/43/27/88/930432788.db2.gz WUDZCVZBFPZWAX-IUODEOHRSA-N 2 2 294.399 0.958 20 0 CCADLP CC(C)[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]CC(N)=O ZINC001374440672 930509244 /nfs/dbraw/zinc/50/92/44/930509244.db2.gz PTYJUUCOQLNKSN-NEPJUHHUSA-N 2 2 295.387 0.050 20 0 CCADLP C[C@H](O)C[N@H+](C)CCCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001447370561 930618328 /nfs/dbraw/zinc/61/83/28/930618328.db2.gz JTDXHLZLLCRWQB-LBPRGKRZSA-N 2 2 296.415 0.848 20 0 CCADLP C[C@H](O)C[N@@H+](C)CCCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001447370561 930618332 /nfs/dbraw/zinc/61/83/32/930618332.db2.gz JTDXHLZLLCRWQB-LBPRGKRZSA-N 2 2 296.415 0.848 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C)n1 ZINC001374981276 930743472 /nfs/dbraw/zinc/74/34/72/930743472.db2.gz KCCGMBZRVLUPOA-WDEREUQCSA-N 2 2 297.403 0.874 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)C(C)C)n1 ZINC001374981276 930743475 /nfs/dbraw/zinc/74/34/75/930743475.db2.gz KCCGMBZRVLUPOA-WDEREUQCSA-N 2 2 297.403 0.874 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H](C[NH2+]C[C@H]1CCOC1)C1CC1 ZINC001375263674 930830768 /nfs/dbraw/zinc/83/07/68/930830768.db2.gz DTNCCEDHSKBZBT-YPMHNXCESA-N 2 2 292.383 0.473 20 0 CCADLP CC[N@H+](C)CCC(=O)NCC1([NH2+]Cc2nncs2)CC1 ZINC001375517228 930903897 /nfs/dbraw/zinc/90/38/97/930903897.db2.gz HOCQJAXOCPPDLO-UHFFFAOYSA-N 2 2 297.428 0.618 20 0 CCADLP CC[N@@H+](C)CCC(=O)NCC1([NH2+]Cc2nncs2)CC1 ZINC001375517228 930903902 /nfs/dbraw/zinc/90/39/02/930903902.db2.gz HOCQJAXOCPPDLO-UHFFFAOYSA-N 2 2 297.428 0.618 20 0 CCADLP CN(C(=O)CCCn1cc[nH+]c1)C1CC[NH+](CCO)CC1 ZINC001376029894 931026741 /nfs/dbraw/zinc/02/67/41/931026741.db2.gz ZRANXLFDSGNRKI-UHFFFAOYSA-N 2 2 294.399 0.578 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)[NH2+]CC[C@H](C)F ZINC001448933066 931031389 /nfs/dbraw/zinc/03/13/89/931031389.db2.gz BXORDISIRKNDRZ-ONGXEEELSA-N 2 2 286.351 0.075 20 0 CCADLP C[C@H]1[C@H]([NH2+]CCO)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001448983209 931041608 /nfs/dbraw/zinc/04/16/08/931041608.db2.gz ZHDSDALVKJSIFQ-QWHCGFSZSA-N 2 2 280.372 0.235 20 0 CCADLP C[N@H+](CCCO)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001376294401 931117230 /nfs/dbraw/zinc/11/72/30/931117230.db2.gz YTPVNCKXVXFSQZ-CQSZACIVSA-N 2 2 294.399 0.436 20 0 CCADLP C[N@@H+](CCCO)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001376294401 931117232 /nfs/dbraw/zinc/11/72/32/931117232.db2.gz YTPVNCKXVXFSQZ-CQSZACIVSA-N 2 2 294.399 0.436 20 0 CCADLP CN(CCC[N@H+](C)C[C@@H]1CCOC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001376994100 931346710 /nfs/dbraw/zinc/34/67/10/931346710.db2.gz DNWIVMQITYIRCA-ZDUSSCGKSA-N 2 2 294.399 0.769 20 0 CCADLP CN(CCC[N@@H+](C)C[C@@H]1CCOC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001376994100 931346719 /nfs/dbraw/zinc/34/67/19/931346719.db2.gz DNWIVMQITYIRCA-ZDUSSCGKSA-N 2 2 294.399 0.769 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CCOC2(C[NH+](CC3CC3)C2)C1 ZINC001377028932 931363286 /nfs/dbraw/zinc/36/32/86/931363286.db2.gz CWPABDKMXPOKCO-UHFFFAOYSA-N 2 2 295.427 0.651 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CCOC2(C[NH+](CC3CC3)C2)C1 ZINC001377028932 931363295 /nfs/dbraw/zinc/36/32/95/931363295.db2.gz CWPABDKMXPOKCO-UHFFFAOYSA-N 2 2 295.427 0.651 20 0 CCADLP C[C@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CC(N)=O ZINC001377049171 931368291 /nfs/dbraw/zinc/36/82/91/931368291.db2.gz LDYBAAQUPFZEPS-SECBINFHSA-N 2 2 289.339 0.146 20 0 CCADLP C[N@H+](CCNC(=O)CCn1cc[nH+]c1)C[C@H]1CCOC1 ZINC001377199083 931423043 /nfs/dbraw/zinc/42/30/43/931423043.db2.gz SARGJNYDBISDDU-CYBMUJFWSA-N 2 2 280.372 0.358 20 0 CCADLP C[N@@H+](CCNC(=O)CCn1cc[nH+]c1)C[C@H]1CCOC1 ZINC001377199083 931423048 /nfs/dbraw/zinc/42/30/48/931423048.db2.gz SARGJNYDBISDDU-CYBMUJFWSA-N 2 2 280.372 0.358 20 0 CCADLP C[C@@H](O)C[N@H+](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001377215085 931427894 /nfs/dbraw/zinc/42/78/94/931427894.db2.gz ALIFNCGCLQVILH-SNVBAGLBSA-N 2 2 276.340 0.605 20 0 CCADLP C[C@@H](O)C[N@@H+](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001377215085 931427898 /nfs/dbraw/zinc/42/78/98/931427898.db2.gz ALIFNCGCLQVILH-SNVBAGLBSA-N 2 2 276.340 0.605 20 0 CCADLP C[C@@H]1C[C@@H](C)[C@@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)O1 ZINC000337404893 214058405 /nfs/dbraw/zinc/05/84/05/214058405.db2.gz MYJWNZPSVSXAFJ-NFAWXSAZSA-N 2 2 297.443 0.942 20 0 CCADLP Cc1cccc(OCCNC(=O)C[NH+]2CCC([NH3+])CC2)c1 ZINC000092714634 349503114 /nfs/dbraw/zinc/50/31/14/349503114.db2.gz KCFDUBSUJFNPSY-UHFFFAOYSA-N 2 2 291.395 0.913 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[NH+](CC2=CCCOC2)CC1 ZINC000093046122 349522406 /nfs/dbraw/zinc/52/24/06/349522406.db2.gz UGWDNVCGMBNWMM-UHFFFAOYSA-N 2 2 295.427 0.819 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@](C)(CO)C2CCCCC2)CC1 ZINC000093175566 349529592 /nfs/dbraw/zinc/52/95/92/349529592.db2.gz LHMFDPRYCKBSPT-MRXNPFEDSA-N 2 2 297.443 0.681 20 0 CCADLP CCC(CC)[C@H](C(=O)NCC[NH+]1CCC1)[NH+]1CCOCC1 ZINC000337600120 214174859 /nfs/dbraw/zinc/17/48/59/214174859.db2.gz RGRUBRPPTCKHMA-OAHLLOKOSA-N 2 2 297.443 0.945 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)c2ccc(C[NH3+])o2)CC1 ZINC000094565462 349568945 /nfs/dbraw/zinc/56/89/45/349568945.db2.gz IPCYNFBWNMOVGM-UHFFFAOYSA-N 2 2 251.330 0.905 20 0 CCADLP CCN1CC[NH+](CCC(=O)N2CC[NH+](C(C)C)CC2)CC1 ZINC000337990691 214347940 /nfs/dbraw/zinc/34/79/40/214347940.db2.gz LGCDWMBDQBLFCD-UHFFFAOYSA-N 2 2 296.459 0.567 20 0 CCADLP C[NH2+]CCCN1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000435872549 290648326 /nfs/dbraw/zinc/64/83/26/290648326.db2.gz PIPOXWGVAXDFFE-CQSZACIVSA-N 2 2 296.459 0.661 20 0 CCADLP CCc1cc(N(C)C[C@@H](O)C[NH+]2CCOCC2)cc[nH+]1 ZINC000450381762 529528615 /nfs/dbraw/zinc/52/86/15/529528615.db2.gz VAZZYXBKQLGBMO-OAHLLOKOSA-N 2 2 279.384 0.773 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000493110696 529551561 /nfs/dbraw/zinc/55/15/61/529551561.db2.gz AMLJCNZJILYRGV-ITKZLYELSA-N 2 2 262.357 0.984 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC000105328444 349722631 /nfs/dbraw/zinc/72/26/31/349722631.db2.gz AUXRFIYHXPEAIL-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP COCC[N@H+]1CCC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC000105328444 349722635 /nfs/dbraw/zinc/72/26/35/349722635.db2.gz AUXRFIYHXPEAIL-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP O=c1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)nc2sccn21 ZINC000107855220 349741598 /nfs/dbraw/zinc/74/15/98/349741598.db2.gz RJZMSGPYHLHBKH-NXEZZACHSA-N 2 2 276.365 0.407 20 0 CCADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)NCc1ccc(F)cc1 ZINC000107855034 349741709 /nfs/dbraw/zinc/74/17/09/349741709.db2.gz GWJQDPACUZHNAX-STQMWFEESA-N 2 2 277.343 0.593 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCSCC2)CC1 ZINC000151382087 290658030 /nfs/dbraw/zinc/65/80/30/290658030.db2.gz MXNAQCDMYGRCNR-ZDUSSCGKSA-N 2 2 285.457 0.976 20 0 CCADLP CC[NH+]1CCN(C(=O)CNc2cc(C)[nH+]cn2)CC1 ZINC000112554079 349781586 /nfs/dbraw/zinc/78/15/86/349781586.db2.gz NVYGGPMDBDAAHN-UHFFFAOYSA-N 2 2 263.345 0.361 20 0 CCADLP CC[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000358175116 529654885 /nfs/dbraw/zinc/65/48/85/529654885.db2.gz YHRKAHYJKSCDFX-CABCVRRESA-N 2 2 295.427 0.698 20 0 CCADLP c1cn([C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)c[nH+]1 ZINC000600635762 362025726 /nfs/dbraw/zinc/02/57/26/362025726.db2.gz CNRRVFUZXBTITL-CQSZACIVSA-N 2 2 264.373 0.852 20 0 CCADLP c1cn([C@@H]2CCC[N@H+](CCN3CCOCC3)C2)c[nH+]1 ZINC000600635762 362025728 /nfs/dbraw/zinc/02/57/28/362025728.db2.gz CNRRVFUZXBTITL-CQSZACIVSA-N 2 2 264.373 0.852 20 0 CCADLP COC(=O)c1cnc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cn1 ZINC000600705941 362037961 /nfs/dbraw/zinc/03/79/61/362037961.db2.gz BSOLIWFULBCUAP-NXEZZACHSA-N 2 2 264.329 0.432 20 0 CCADLP COC(=O)c1cnc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cn1 ZINC000600705941 362037967 /nfs/dbraw/zinc/03/79/67/362037967.db2.gz BSOLIWFULBCUAP-NXEZZACHSA-N 2 2 264.329 0.432 20 0 CCADLP COC(=O)c1cnc(C[N@@H+]2CCCC[C@H]2CC[NH3+])cn1 ZINC000600709249 362040556 /nfs/dbraw/zinc/04/05/56/362040556.db2.gz HGMWWMSWMUBSAR-LBPRGKRZSA-N 2 2 278.356 0.967 20 0 CCADLP COC(=O)c1cnc(C[N@H+]2CCCC[C@H]2CC[NH3+])cn1 ZINC000600709249 362040562 /nfs/dbraw/zinc/04/05/62/362040562.db2.gz HGMWWMSWMUBSAR-LBPRGKRZSA-N 2 2 278.356 0.967 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CCCC[NH+]2C)CCO1 ZINC000600983048 362115090 /nfs/dbraw/zinc/11/50/90/362115090.db2.gz PCRMLUJFTTZZGZ-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CCCC[NH+]2C)CCO1 ZINC000600983048 362115094 /nfs/dbraw/zinc/11/50/94/362115094.db2.gz PCRMLUJFTTZZGZ-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CCCC[N@@H+]2C)CCO1 ZINC000600983048 362115099 /nfs/dbraw/zinc/11/50/99/362115099.db2.gz PCRMLUJFTTZZGZ-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CCCC[N@H+]2C)CCO1 ZINC000600983048 362115104 /nfs/dbraw/zinc/11/51/04/362115104.db2.gz PCRMLUJFTTZZGZ-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C[NH+]1CC(C)(C)C1 ZINC000617723194 365728965 /nfs/dbraw/zinc/72/89/65/365728965.db2.gz JYRHPULUYUATJM-OLZOCXBDSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C[NH+]1CC(C)(C)C1 ZINC000617723194 365728967 /nfs/dbraw/zinc/72/89/67/365728967.db2.gz JYRHPULUYUATJM-OLZOCXBDSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)Cc1c[nH+]cn1C ZINC000617725851 365734316 /nfs/dbraw/zinc/73/43/16/365734316.db2.gz PNMLYEBCWYQQPF-NEPJUHHUSA-N 2 2 280.372 0.188 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)Cc1c[nH+]cn1C ZINC000617725851 365734322 /nfs/dbraw/zinc/73/43/22/365734322.db2.gz PNMLYEBCWYQQPF-NEPJUHHUSA-N 2 2 280.372 0.188 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000601047847 362142003 /nfs/dbraw/zinc/14/20/03/362142003.db2.gz LPFNCQSMEZVXBV-CABCVRRESA-N 2 2 295.427 0.651 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000601047847 362142006 /nfs/dbraw/zinc/14/20/06/362142006.db2.gz LPFNCQSMEZVXBV-CABCVRRESA-N 2 2 295.427 0.651 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)CCCn2cc[nH+]c2)[C@H](C)CO1 ZINC000617733070 365742368 /nfs/dbraw/zinc/74/23/68/365742368.db2.gz MYMYCDKBMKDCKX-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)CCCn2cc[nH+]c2)[C@H](C)CO1 ZINC000617733070 365742375 /nfs/dbraw/zinc/74/23/75/365742375.db2.gz MYMYCDKBMKDCKX-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP COC(=O)CCN1CC[C@@H]([N@@H+]2CCCCC[C@H]([NH3+])C2)C1=O ZINC000601323594 362221320 /nfs/dbraw/zinc/22/13/20/362221320.db2.gz CKSAUELKTROAKS-QWHCGFSZSA-N 2 2 297.399 0.354 20 0 CCADLP COC(=O)CCN1CC[C@@H]([N@H+]2CCCCC[C@H]([NH3+])C2)C1=O ZINC000601323594 362221325 /nfs/dbraw/zinc/22/13/25/362221325.db2.gz CKSAUELKTROAKS-QWHCGFSZSA-N 2 2 297.399 0.354 20 0 CCADLP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)NC(=O)NC1CC1 ZINC000601335332 362231946 /nfs/dbraw/zinc/23/19/46/362231946.db2.gz SLQRHQPMJUPDPY-CMPLNLGQSA-N 2 2 280.372 0.049 20 0 CCADLP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)NC(=O)NC1CC1 ZINC000601335332 362231952 /nfs/dbraw/zinc/23/19/52/362231952.db2.gz SLQRHQPMJUPDPY-CMPLNLGQSA-N 2 2 280.372 0.049 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN2CC[C@H](C[NH+](C)C)C2)C[C@@H](C)O1 ZINC000113513519 349814072 /nfs/dbraw/zinc/81/40/72/349814072.db2.gz AVUKILTYDLNKMY-KLHDSHLOSA-N 2 2 299.459 0.340 20 0 CCADLP C[C@@H]1CN(C[C@H](O)C[N@@H+]2CC[C@H](C[NH+](C)C)C2)C[C@@H](C)O1 ZINC000113513519 349814079 /nfs/dbraw/zinc/81/40/79/349814079.db2.gz AVUKILTYDLNKMY-KLHDSHLOSA-N 2 2 299.459 0.340 20 0 CCADLP C[C@@H]1CN(C[C@H](O)C[N@H+]2CC[C@H](C[NH+](C)C)C2)C[C@@H](C)O1 ZINC000113513519 349814083 /nfs/dbraw/zinc/81/40/83/349814083.db2.gz AVUKILTYDLNKMY-KLHDSHLOSA-N 2 2 299.459 0.340 20 0 CCADLP CO[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)C1CCC1 ZINC000617763219 365765731 /nfs/dbraw/zinc/76/57/31/365765731.db2.gz JUSGZHWOJDMKCE-AWEZNQCLSA-N 2 2 285.432 0.801 20 0 CCADLP CO[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1CCC1 ZINC000617763219 365765738 /nfs/dbraw/zinc/76/57/38/365765738.db2.gz JUSGZHWOJDMKCE-AWEZNQCLSA-N 2 2 285.432 0.801 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCC(C)(C)O1 ZINC000617764134 365766924 /nfs/dbraw/zinc/76/69/24/365766924.db2.gz KNWFOMXHKCKTEQ-ZDUSSCGKSA-N 2 2 285.432 0.944 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCC(C)(C)O1 ZINC000617764134 365766926 /nfs/dbraw/zinc/76/69/26/365766926.db2.gz KNWFOMXHKCKTEQ-ZDUSSCGKSA-N 2 2 285.432 0.944 20 0 CCADLP CC(C)[C@](C)(O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765169 365768295 /nfs/dbraw/zinc/76/82/95/365768295.db2.gz WEXDATJJTUHGMO-AWEZNQCLSA-N 2 2 273.421 0.393 20 0 CCADLP CC(C)[C@](C)(O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765169 365768299 /nfs/dbraw/zinc/76/82/99/365768299.db2.gz WEXDATJJTUHGMO-AWEZNQCLSA-N 2 2 273.421 0.393 20 0 CCADLP CCc1nn(C)cc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764667 365768514 /nfs/dbraw/zinc/76/85/14/365768514.db2.gz BMDWTMAWUOEDFD-UHFFFAOYSA-N 2 2 295.431 0.596 20 0 CCADLP CCc1nn(C)cc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764667 365768522 /nfs/dbraw/zinc/76/85/22/365768522.db2.gz BMDWTMAWUOEDFD-UHFFFAOYSA-N 2 2 295.431 0.596 20 0 CCADLP COCC1(C(=O)NCC[N@H+](C)CCC[NH+](C)C)CCC1 ZINC000617764270 365769062 /nfs/dbraw/zinc/76/90/62/365769062.db2.gz QAAJIUYSFMHPIV-UHFFFAOYSA-N 2 2 285.432 0.803 20 0 CCADLP COCC1(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCC1 ZINC000617764270 365769070 /nfs/dbraw/zinc/76/90/70/365769070.db2.gz QAAJIUYSFMHPIV-UHFFFAOYSA-N 2 2 285.432 0.803 20 0 CCADLP COCC(C)(C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000155085417 290694017 /nfs/dbraw/zinc/69/40/17/290694017.db2.gz NNOXPCNOVZMRCT-UHFFFAOYSA-N 2 2 285.432 0.801 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCCO1 ZINC000617765712 365771195 /nfs/dbraw/zinc/77/11/95/365771195.db2.gz NAQSYHXEGYHOAE-LBPRGKRZSA-N 2 2 257.378 0.165 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCCO1 ZINC000617765712 365771199 /nfs/dbraw/zinc/77/11/99/365771199.db2.gz NAQSYHXEGYHOAE-LBPRGKRZSA-N 2 2 257.378 0.165 20 0 CCADLP Cn1ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000617765512 365771788 /nfs/dbraw/zinc/77/17/88/365771788.db2.gz DKCFXVCMPJSYFZ-UHFFFAOYSA-N 2 2 266.389 0.638 20 0 CCADLP Cn1ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000617765512 365771791 /nfs/dbraw/zinc/77/17/91/365771791.db2.gz DKCFXVCMPJSYFZ-UHFFFAOYSA-N 2 2 266.389 0.638 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](O)COCC2CC2)n1C ZINC000424558016 529809333 /nfs/dbraw/zinc/80/93/33/529809333.db2.gz IJSSTKLRCLDGPP-CYBMUJFWSA-N 2 2 282.388 0.363 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@H](CCO)C2CCOCC2)n1C ZINC000425332617 282320872 /nfs/dbraw/zinc/32/08/72/282320872.db2.gz CZIWIVPVDYBAIR-CQSZACIVSA-N 2 2 296.415 0.753 20 0 CCADLP C[NH2+]CCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000418325558 529976022 /nfs/dbraw/zinc/97/60/22/529976022.db2.gz JCDJIGNUZUTIAH-GFCCVEGCSA-N 2 2 264.329 0.464 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)NCc1c[nH+]ccc1OC ZINC000418211811 529983623 /nfs/dbraw/zinc/98/36/23/529983623.db2.gz ISMQCFUNDRVXSQ-SNVBAGLBSA-N 2 2 266.345 0.745 20 0 CCADLP C[NH2+][C@@H](C)CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000423644773 530040828 /nfs/dbraw/zinc/04/08/28/530040828.db2.gz YGJPKZPXXVZHKI-JTQLQIEISA-N 2 2 259.313 0.605 20 0 CCADLP C[C@H](CNC(=O)C[NH+]1CC(C)(C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655241793 412518049 /nfs/dbraw/zinc/51/80/49/412518049.db2.gz QXUZJORNLWRTIA-MCIONIFRSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@H](CNC(=O)C[NH+]1CC(C)(C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655241793 412518052 /nfs/dbraw/zinc/51/80/52/412518052.db2.gz QXUZJORNLWRTIA-MCIONIFRSA-N 2 2 297.443 0.942 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000684361583 545653818 /nfs/dbraw/zinc/65/38/18/545653818.db2.gz VJLSYPLXFWVENZ-AWEZNQCLSA-N 2 2 292.383 0.666 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000684361583 545653824 /nfs/dbraw/zinc/65/38/24/545653824.db2.gz VJLSYPLXFWVENZ-AWEZNQCLSA-N 2 2 292.383 0.666 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2cnn(C)c2)CC1 ZINC000273253532 192088195 /nfs/dbraw/zinc/08/81/95/192088195.db2.gz CNDKIUAUFJFYNW-OLZOCXBDSA-N 2 2 293.415 0.623 20 0 CCADLP CCOC(=O)c1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)[nH]1 ZINC000602491616 362642537 /nfs/dbraw/zinc/64/25/37/362642537.db2.gz BSLHISUARVIDBT-GHMZBOCLSA-N 2 2 263.341 0.843 20 0 CCADLP CO[C@@H]1CCC[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1 ZINC000684371908 545657110 /nfs/dbraw/zinc/65/71/10/545657110.db2.gz KPZAPOCTDLMQIW-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP CC(C)[NH+]1CCC([NH+]2CCN(c3nnnn3C)CC2)CC1 ZINC000532905741 290776093 /nfs/dbraw/zinc/77/60/93/290776093.db2.gz VFLFEODBDDAQCW-UHFFFAOYSA-N 2 2 293.419 0.205 20 0 CCADLP CCn1cc[nH+]c1CN(CCO)C1CC[NH+](C)CC1 ZINC000532934417 290776588 /nfs/dbraw/zinc/77/65/88/290776588.db2.gz XDRLFKQDLSWUEW-UHFFFAOYSA-N 2 2 266.389 0.792 20 0 CCADLP C[C@@H](CC[S@@](C)=O)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000602571743 362685649 /nfs/dbraw/zinc/68/56/49/362685649.db2.gz XJHCUAHXYFWOMU-HXPMCKFVSA-N 2 2 290.473 0.968 20 0 CCADLP Cc1nc(N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000356797956 293287667 /nfs/dbraw/zinc/28/76/67/293287667.db2.gz RANFJYBJCAQZDL-UWVGGRQHSA-N 2 2 264.377 0.775 20 0 CCADLP Cc1nc(N2CC[N@H+](C)[C@@H](C)[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000356797956 293287668 /nfs/dbraw/zinc/28/76/68/293287668.db2.gz RANFJYBJCAQZDL-UWVGGRQHSA-N 2 2 264.377 0.775 20 0 CCADLP COC(=O)c1[nH]c(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1C ZINC000602614457 362715059 /nfs/dbraw/zinc/71/50/59/362715059.db2.gz ZKLJHMJQPRMWGJ-AWEZNQCLSA-N 2 2 281.356 0.266 20 0 CCADLP COC(=O)c1[nH]c(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1C ZINC000602614457 362715062 /nfs/dbraw/zinc/71/50/62/362715062.db2.gz ZKLJHMJQPRMWGJ-AWEZNQCLSA-N 2 2 281.356 0.266 20 0 CCADLP C[C@H]1CC[N@H+](CCNS(C)(=O)=O)C[C@@H]1n1cc[nH+]c1 ZINC000119974411 349963692 /nfs/dbraw/zinc/96/36/92/349963692.db2.gz ZAAZOYLIWRKZTR-RYUDHWBXSA-N 2 2 286.401 0.315 20 0 CCADLP C[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C[C@@H]1n1cc[nH+]c1 ZINC000119974411 349963695 /nfs/dbraw/zinc/96/36/95/349963695.db2.gz ZAAZOYLIWRKZTR-RYUDHWBXSA-N 2 2 286.401 0.315 20 0 CCADLP COC(=O)[C@H]1C[C@@H](OC)CC[N@@H+]1CCc1c[nH+]cn1C ZINC000602799209 362807389 /nfs/dbraw/zinc/80/73/89/362807389.db2.gz BSGBDPKYHVPIDC-QWHCGFSZSA-N 2 2 281.356 0.615 20 0 CCADLP COC(=O)[C@H]1C[C@@H](OC)CC[N@H+]1CCc1c[nH+]cn1C ZINC000602799209 362807394 /nfs/dbraw/zinc/80/73/94/362807394.db2.gz BSGBDPKYHVPIDC-QWHCGFSZSA-N 2 2 281.356 0.615 20 0 CCADLP C[C@H]1CC[N@H+](CCc2c[nH+]cn2C)CC[S@@]1=O ZINC000602823550 362820389 /nfs/dbraw/zinc/82/03/89/362820389.db2.gz VLSYNRBYLMJKBU-GTNSWQLSSA-N 2 2 255.387 0.806 20 0 CCADLP C[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)CC[S@@]1=O ZINC000602823550 362820390 /nfs/dbraw/zinc/82/03/90/362820390.db2.gz VLSYNRBYLMJKBU-GTNSWQLSSA-N 2 2 255.387 0.806 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000165263066 136843294 /nfs/dbraw/zinc/84/32/94/136843294.db2.gz BRTRDNSKZFWGTQ-NSHDSACASA-N 2 2 264.373 0.734 20 0 CCADLP CC(C)(C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1c[nH+]c[nH]1 ZINC000618181847 365918047 /nfs/dbraw/zinc/91/80/47/365918047.db2.gz SEQWWTIXWSKAFQ-GFCCVEGCSA-N 2 2 292.383 0.620 20 0 CCADLP Cc1noc(C)c1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000257679608 137005120 /nfs/dbraw/zinc/00/51/20/137005120.db2.gz GPZAMCMCVHCHLU-CYBMUJFWSA-N 2 2 264.373 0.771 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000261571512 137009123 /nfs/dbraw/zinc/00/91/23/137009123.db2.gz LDGKVXINXDALDM-ZRJCITRHSA-N 2 2 254.374 0.911 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@](C)(C[NH3+])C2)C[C@H](C)O1 ZINC000261589840 137011062 /nfs/dbraw/zinc/01/10/62/137011062.db2.gz LALIZWKJHDOPTO-SCRDCRAPSA-N 2 2 269.389 0.293 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@](C)(C[NH3+])C2)C[C@H](C)O1 ZINC000261589840 137011063 /nfs/dbraw/zinc/01/10/63/137011063.db2.gz LALIZWKJHDOPTO-SCRDCRAPSA-N 2 2 269.389 0.293 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261620957 137012594 /nfs/dbraw/zinc/01/25/94/137012594.db2.gz AVWXCHPESSTSNF-RWMBFGLXSA-N 2 2 269.389 0.341 20 0 CCADLP [NH3+]C[C@H]1CC[C@@H](C(=O)NCCc2cn3c([nH+]2)CCCC3)O1 ZINC000261617037 137012754 /nfs/dbraw/zinc/01/27/54/137012754.db2.gz BTOXZZNLWYYLFL-OLZOCXBDSA-N 2 2 292.383 0.384 20 0 CCADLP CCCN(CCC)C(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261655381 137014538 /nfs/dbraw/zinc/01/45/38/137014538.db2.gz KDCNBFIINVTKCX-OAHLLOKOSA-N 2 2 296.459 0.615 20 0 CCADLP C[C@@H]([NH3+])CC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000262367816 137040680 /nfs/dbraw/zinc/04/06/80/137040680.db2.gz WHGHPOMYZAEFON-NEPJUHHUSA-N 2 2 264.373 0.939 20 0 CCADLP C[C@H](C(=O)NCc1cn2ccccc2[nH+]1)C1C[NH2+]C1 ZINC000262386195 137041457 /nfs/dbraw/zinc/04/14/57/137041457.db2.gz NOYGNGUXSKMUEM-JTQLQIEISA-N 2 2 258.325 0.806 20 0 CCADLP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262419936 137043125 /nfs/dbraw/zinc/04/31/25/137043125.db2.gz RQDNQBUAHCWXJD-STQMWFEESA-N 2 2 295.333 0.987 20 0 CCADLP O=C([C@@H]1CSC[NH2+]1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000262640314 137048710 /nfs/dbraw/zinc/04/87/10/137048710.db2.gz HIDRBIGXUNAPOP-ZDUSSCGKSA-N 2 2 299.440 0.220 20 0 CCADLP C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263051011 137057603 /nfs/dbraw/zinc/05/76/03/137057603.db2.gz UNKOGZHKDSFAIS-SECBINFHSA-N 2 2 263.332 0.688 20 0 CCADLP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263081386 137058148 /nfs/dbraw/zinc/05/81/48/137058148.db2.gz XOXVAALPNGGVDU-QWRGUYRKSA-N 2 2 275.343 0.926 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261705024 137016346 /nfs/dbraw/zinc/01/63/46/137016346.db2.gz LYAZBUVONUTZGG-NOZJJQNGSA-N 2 2 268.361 0.034 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261705024 137016347 /nfs/dbraw/zinc/01/63/47/137016347.db2.gz LYAZBUVONUTZGG-NOZJJQNGSA-N 2 2 268.361 0.034 20 0 CCADLP C[C@@]1(C[N@@H+]2CCCC[C@@H](S(C)(=O)=O)C2)CC[NH2+]C1 ZINC000261761615 137018736 /nfs/dbraw/zinc/01/87/36/137018736.db2.gz LKHBWBWKEKCKTB-CHWSQXEVSA-N 2 2 274.430 0.885 20 0 CCADLP C[C@@]1(C[N@H+]2CCCC[C@@H](S(C)(=O)=O)C2)CC[NH2+]C1 ZINC000261761615 137018737 /nfs/dbraw/zinc/01/87/37/137018737.db2.gz LKHBWBWKEKCKTB-CHWSQXEVSA-N 2 2 274.430 0.885 20 0 CCADLP O=c1n2ccccc2nn1CC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261795660 137020794 /nfs/dbraw/zinc/02/07/94/137020794.db2.gz YHNMFCFFMVEQEH-CHWSQXEVSA-N 2 2 287.367 0.180 20 0 CCADLP O=c1n2ccccc2nn1CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261795660 137020795 /nfs/dbraw/zinc/02/07/95/137020795.db2.gz YHNMFCFFMVEQEH-CHWSQXEVSA-N 2 2 287.367 0.180 20 0 CCADLP [NH3+][C@@H]1CN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C[C@H]1c1ccccc1 ZINC000261804464 137020841 /nfs/dbraw/zinc/02/08/41/137020841.db2.gz RBGWDTHBYSTDII-XQQFMLRXSA-N 2 2 295.333 0.937 20 0 CCADLP Cn1cc(N2CCC[C@H]([N@@H+]3CC[C@@](C)(C[NH3+])C3)C2=O)cn1 ZINC000261862382 137022994 /nfs/dbraw/zinc/02/29/94/137022994.db2.gz SHXFSHQSSNPGBO-ZFWWWQNUSA-N 2 2 291.399 0.586 20 0 CCADLP Cn1cc(N2CCC[C@H]([N@H+]3CC[C@@](C)(C[NH3+])C3)C2=O)cn1 ZINC000261862382 137022995 /nfs/dbraw/zinc/02/29/95/137022995.db2.gz SHXFSHQSSNPGBO-ZFWWWQNUSA-N 2 2 291.399 0.586 20 0 CCADLP O=C(CC[NH+]1CCC(n2cc[nH+]c2)CC1)N1CC[NH2+]CC1 ZINC000262276653 137034912 /nfs/dbraw/zinc/03/49/12/137034912.db2.gz YVHHSELZSUDNSZ-UHFFFAOYSA-N 3 2 291.399 0.342 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)C[C@H]1COCC[NH2+]1 ZINC000262328009 137038065 /nfs/dbraw/zinc/03/80/65/137038065.db2.gz GIAZNSXKNNNAQU-LBPRGKRZSA-N 2 2 278.356 0.142 20 0 CCADLP CSc1ccccc1NC(=O)CC[N@H+](CC[NH3+])CCO ZINC000342378742 137090506 /nfs/dbraw/zinc/09/05/06/137090506.db2.gz AODRKVHVYWVRLN-UHFFFAOYSA-N 2 2 297.424 0.990 20 0 CCADLP CSc1ccccc1NC(=O)CC[N@@H+](CC[NH3+])CCO ZINC000342378742 137090507 /nfs/dbraw/zinc/09/05/07/137090507.db2.gz AODRKVHVYWVRLN-UHFFFAOYSA-N 2 2 297.424 0.990 20 0 CCADLP [NH3+]CC[N@H+](CCO)CCC(=O)Nc1cccc(F)c1 ZINC000342390548 137090767 /nfs/dbraw/zinc/09/07/67/137090767.db2.gz QBTHUINSWJECPJ-UHFFFAOYSA-N 2 2 269.320 0.407 20 0 CCADLP [NH3+]CC[N@@H+](CCO)CCC(=O)Nc1cccc(F)c1 ZINC000342390548 137090768 /nfs/dbraw/zinc/09/07/68/137090768.db2.gz QBTHUINSWJECPJ-UHFFFAOYSA-N 2 2 269.320 0.407 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](C)N2CCOCC2)C1 ZINC000343154299 137117768 /nfs/dbraw/zinc/11/77/68/137117768.db2.gz QIZWNAFZQFBWBL-BFHYXJOUSA-N 2 2 255.406 0.637 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](C)N2CCOCC2)C1 ZINC000343154299 137117769 /nfs/dbraw/zinc/11/77/69/137117769.db2.gz QIZWNAFZQFBWBL-BFHYXJOUSA-N 2 2 255.406 0.637 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@]1(N2CCOCC2)CCSC1 ZINC000343696131 137150136 /nfs/dbraw/zinc/15/01/36/137150136.db2.gz RFRSVEBPQQNISX-QLFBSQMISA-N 2 2 299.484 0.734 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@]1(N2CCOCC2)CCSC1 ZINC000343696131 137150137 /nfs/dbraw/zinc/15/01/37/137150137.db2.gz RFRSVEBPQQNISX-QLFBSQMISA-N 2 2 299.484 0.734 20 0 CCADLP c1c[nH]c(CN2CC[NH+](CCCn3cc[nH+]c3)CC2)n1 ZINC000343313304 137126980 /nfs/dbraw/zinc/12/69/80/137126980.db2.gz HKPPFNPVNZAOHA-UHFFFAOYSA-N 2 2 274.372 0.814 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000343352869 137130096 /nfs/dbraw/zinc/13/00/96/137130096.db2.gz IOTPSNJILITPOS-LBPRGKRZSA-N 2 2 278.356 0.322 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000343352869 137130097 /nfs/dbraw/zinc/13/00/97/137130097.db2.gz IOTPSNJILITPOS-LBPRGKRZSA-N 2 2 278.356 0.322 20 0 CCADLP CC[C@@H](C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)[NH+](C)C ZINC000344346811 137189337 /nfs/dbraw/zinc/18/93/37/137189337.db2.gz LOVDJBKXTVPCQY-SKDRFNHKSA-N 2 2 250.346 0.723 20 0 CCADLP CC[C@@H](C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)[NH+](C)C ZINC000344346811 137189338 /nfs/dbraw/zinc/18/93/38/137189338.db2.gz LOVDJBKXTVPCQY-SKDRFNHKSA-N 2 2 250.346 0.723 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000344179479 137181575 /nfs/dbraw/zinc/18/15/75/137181575.db2.gz FSHGTSFXJRBZHH-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[NH+]2CCOCC2)CC[N@H+]1C ZINC000344179479 137181576 /nfs/dbraw/zinc/18/15/76/137181576.db2.gz FSHGTSFXJRBZHH-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]C[C@@H](O)COCC2CC2)[C@@H](C)C1 ZINC000344198747 137183238 /nfs/dbraw/zinc/18/32/38/137183238.db2.gz YOAJWFMHXFDZQR-YUTCNCBUSA-N 2 2 256.390 0.704 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]C[C@@H](O)COCC2CC2)[C@@H](C)C1 ZINC000344198747 137183239 /nfs/dbraw/zinc/18/32/39/137183239.db2.gz YOAJWFMHXFDZQR-YUTCNCBUSA-N 2 2 256.390 0.704 20 0 CCADLP CC(C)[NH+](CCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C(C)C ZINC000516748848 535067890 /nfs/dbraw/zinc/06/78/90/535067890.db2.gz TUKKMGUWRKBXRW-AWEZNQCLSA-N 3 2 299.463 0.390 20 0 CCADLP Cn1cc(N2CC[C@H]([NH2+]Cc3c[nH+]cn3C)C2=O)cn1 ZINC000344483045 137196777 /nfs/dbraw/zinc/19/67/77/137196777.db2.gz LMQZCAJLLQHDNU-LBPRGKRZSA-N 2 2 274.328 0.049 20 0 CCADLP CC(C)[NH+](CCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C(C)C ZINC000516748848 535067896 /nfs/dbraw/zinc/06/78/96/535067896.db2.gz TUKKMGUWRKBXRW-AWEZNQCLSA-N 3 2 299.463 0.390 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]Cc2cccc(OCC(N)=O)c2)C1 ZINC000344767900 137212310 /nfs/dbraw/zinc/21/23/10/137212310.db2.gz GDFGFVCAVUAWAE-SWLSCSKDSA-N 2 2 291.395 0.981 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]Cc2cccc(OCC(N)=O)c2)C1 ZINC000344767900 137212311 /nfs/dbraw/zinc/21/23/11/137212311.db2.gz GDFGFVCAVUAWAE-SWLSCSKDSA-N 2 2 291.395 0.981 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000037008720 348178470 /nfs/dbraw/zinc/17/84/70/348178470.db2.gz MYJDEXXWRXOERL-HIFRSBDPSA-N 2 2 291.395 0.393 20 0 CCADLP CC1CCN(C(=O)C[N@H+](C)C2CC[NH2+]CC2)CC1 ZINC000036300427 348165885 /nfs/dbraw/zinc/16/58/85/348165885.db2.gz COJYLHPJJSZBPU-UHFFFAOYSA-N 2 2 253.390 0.929 20 0 CCADLP CC1CCN(C(=O)C[N@@H+](C)C2CC[NH2+]CC2)CC1 ZINC000036300427 348165888 /nfs/dbraw/zinc/16/58/88/348165888.db2.gz COJYLHPJJSZBPU-UHFFFAOYSA-N 2 2 253.390 0.929 20 0 CCADLP C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(CC[NH3+])CC1 ZINC000037039648 348182369 /nfs/dbraw/zinc/18/23/69/348182369.db2.gz AAIUOIROTUMUAM-GFCCVEGCSA-N 2 2 268.405 0.010 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000040599805 348238500 /nfs/dbraw/zinc/23/85/00/348238500.db2.gz YJIRWHMPCGDDME-GFCCVEGCSA-N 2 2 296.415 0.686 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000040599805 348238505 /nfs/dbraw/zinc/23/85/05/348238505.db2.gz YJIRWHMPCGDDME-GFCCVEGCSA-N 2 2 296.415 0.686 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)NCCCOC)C1 ZINC000040599736 348238844 /nfs/dbraw/zinc/23/88/44/348238844.db2.gz PQIYYNBFNKSRNL-LBPRGKRZSA-N 2 2 257.378 0.071 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)NCCCOC)C1 ZINC000040599736 348238846 /nfs/dbraw/zinc/23/88/46/348238846.db2.gz PQIYYNBFNKSRNL-LBPRGKRZSA-N 2 2 257.378 0.071 20 0 CCADLP [NH3+]CCCC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000040856508 348245233 /nfs/dbraw/zinc/24/52/33/348245233.db2.gz BRPBTMPBZPIXLM-UHFFFAOYSA-N 2 2 278.356 0.273 20 0 CCADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)N3CCOCC3)C2)C1 ZINC000339427775 215160780 /nfs/dbraw/zinc/16/07/80/215160780.db2.gz BFIXTWDBXDXILB-OAHLLOKOSA-N 2 2 281.400 0.263 20 0 CCADLP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)N3CCOCC3)C2)C1 ZINC000339427775 215160782 /nfs/dbraw/zinc/16/07/82/215160782.db2.gz BFIXTWDBXDXILB-OAHLLOKOSA-N 2 2 281.400 0.263 20 0 CCADLP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)N3CCOCC3)C2)C1 ZINC000339427775 215160785 /nfs/dbraw/zinc/16/07/85/215160785.db2.gz BFIXTWDBXDXILB-OAHLLOKOSA-N 2 2 281.400 0.263 20 0 CCADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)N3CCOCC3)C2)C1 ZINC000339427775 215160788 /nfs/dbraw/zinc/16/07/88/215160788.db2.gz BFIXTWDBXDXILB-OAHLLOKOSA-N 2 2 281.400 0.263 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@@H]([NH3+])CC(F)F ZINC000345732094 137248803 /nfs/dbraw/zinc/24/88/03/137248803.db2.gz ZORBRHSUJVCSPS-VIFPVBQESA-N 2 2 272.299 0.746 20 0 CCADLP COCCN1CC[C@H]([NH2+][C@H]2CCC[N@H+](C)[C@H]2C)C1 ZINC000346346248 137280510 /nfs/dbraw/zinc/28/05/10/137280510.db2.gz XDFQDUCJLOXUMN-IHRRRGAJSA-N 2 2 255.406 0.779 20 0 CCADLP COCCN1CC[C@H]([NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)C1 ZINC000346346248 137280511 /nfs/dbraw/zinc/28/05/11/137280511.db2.gz XDFQDUCJLOXUMN-IHRRRGAJSA-N 2 2 255.406 0.779 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCC(CC(N)=O)CC1 ZINC000346372295 137282185 /nfs/dbraw/zinc/28/21/85/137282185.db2.gz RAQWLEQXGZKYDR-UHFFFAOYSA-N 2 2 250.346 0.779 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[NH+](CC)CC2)CC1 ZINC000043304202 348307247 /nfs/dbraw/zinc/30/72/47/348307247.db2.gz WIVFMIJTQRPDBE-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP C[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)[C@@H]1CCCO1 ZINC000346560911 137293138 /nfs/dbraw/zinc/29/31/38/137293138.db2.gz PLBKIJSBNIVTGR-CVEARBPZSA-N 2 2 299.459 0.534 20 0 CCADLP CN(C)c1nccc(C[N@H+](C)CC(C)(C)C[NH3+])n1 ZINC000346684278 137299396 /nfs/dbraw/zinc/29/93/96/137299396.db2.gz RPEILHXLYNTLSG-UHFFFAOYSA-N 2 2 251.378 0.959 20 0 CCADLP CN(C)c1nccc(C[N@@H+](C)CC(C)(C)C[NH3+])n1 ZINC000346684278 137299397 /nfs/dbraw/zinc/29/93/97/137299397.db2.gz RPEILHXLYNTLSG-UHFFFAOYSA-N 2 2 251.378 0.959 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cn(Cc3cccnc3)nn2)C1 ZINC000346691996 137299421 /nfs/dbraw/zinc/29/94/21/137299421.db2.gz XHMIQYSAFOEDTQ-OCCSQVGLSA-N 2 2 286.383 0.891 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cn(Cc3cccnc3)nn2)C1 ZINC000346691996 137299422 /nfs/dbraw/zinc/29/94/22/137299422.db2.gz XHMIQYSAFOEDTQ-OCCSQVGLSA-N 2 2 286.383 0.891 20 0 CCADLP O=C(NCCCCn1cc[nH+]c1)[C@@H]1CCCC[NH2+]1 ZINC000045109156 348333646 /nfs/dbraw/zinc/33/36/46/348333646.db2.gz HPYNUSDPNZANAE-LBPRGKRZSA-N 2 2 250.346 0.922 20 0 CCADLP C[NH+]1CCN(C(=O)CC2CC[NH+](CC(C)(C)[NH3+])CC2)CC1 ZINC000346843671 137307830 /nfs/dbraw/zinc/30/78/30/137307830.db2.gz JDOXGWJPYFRGPM-UHFFFAOYSA-N 3 2 296.459 0.600 20 0 CCADLP CC[N@@H+]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC000684466933 545675712 /nfs/dbraw/zinc/67/57/12/545675712.db2.gz VXVFIAWHOFOXIK-NSHDSACASA-N 2 2 250.346 0.895 20 0 CCADLP CC[N@H+]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC000684466933 545675713 /nfs/dbraw/zinc/67/57/13/545675713.db2.gz VXVFIAWHOFOXIK-NSHDSACASA-N 2 2 250.346 0.895 20 0 CCADLP CC[N@@H+]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC000684466933 545675724 /nfs/dbraw/zinc/67/57/24/545675724.db2.gz VXVFIAWHOFOXIK-NSHDSACASA-N 2 2 250.346 0.895 20 0 CCADLP CC[N@H+]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC000684466933 545675728 /nfs/dbraw/zinc/67/57/28/545675728.db2.gz VXVFIAWHOFOXIK-NSHDSACASA-N 2 2 250.346 0.895 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000684458773 545675181 /nfs/dbraw/zinc/67/51/81/545675181.db2.gz VWGRQMOPICNBDS-CQSZACIVSA-N 2 2 292.383 0.286 20 0 CCADLP C[C@H]1C[C@H](O)CN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000349689519 137399588 /nfs/dbraw/zinc/39/95/88/137399588.db2.gz DDNUNDMWHOTOBC-JSGCOSHPSA-N 2 2 298.431 0.177 20 0 CCADLP Cn1nc(C[NH+]2CCC(CCC[NH+](C)C)CC2)[nH]c1=O ZINC000347542482 137342045 /nfs/dbraw/zinc/34/20/45/137342045.db2.gz OXAWYGIMVKMORU-UHFFFAOYSA-N 2 2 281.404 0.662 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)cn1C ZINC000348020647 137369391 /nfs/dbraw/zinc/36/93/91/137369391.db2.gz PVSWHGYTMVJLGT-ZDUSSCGKSA-N 2 2 294.399 0.147 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cn1C ZINC000348020647 137369392 /nfs/dbraw/zinc/36/93/92/137369392.db2.gz PVSWHGYTMVJLGT-ZDUSSCGKSA-N 2 2 294.399 0.147 20 0 CCADLP O=C(CCOC1C[NH2+]C1)NCCc1cn2c([nH+]1)CCCC2 ZINC000348993204 137383369 /nfs/dbraw/zinc/38/33/69/137383369.db2.gz JNNVONGHLRLMDW-UHFFFAOYSA-N 2 2 292.383 0.257 20 0 CCADLP C[NH+]1CCC([NH2+]Cc2cc(=O)n3ccccc3n2)CC1 ZINC000049854958 348460640 /nfs/dbraw/zinc/46/06/40/348460640.db2.gz QFLVTXVTOJEPMO-UHFFFAOYSA-N 2 2 272.352 0.878 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccc(F)cc2F)CC1 ZINC000049948527 348461982 /nfs/dbraw/zinc/46/19/82/348461982.db2.gz VQTVJNSJHYWZGF-UHFFFAOYSA-N 2 2 283.322 0.828 20 0 CCADLP CC[C@]1(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[NH2+]C1 ZINC000062899306 348672383 /nfs/dbraw/zinc/67/23/83/348672383.db2.gz WPDQGXUGHJDJOE-HNNXBMFYSA-N 2 2 283.416 0.603 20 0 CCADLP CCCC[N@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000061757793 348659381 /nfs/dbraw/zinc/65/93/81/348659381.db2.gz JCRREDRPVAEAMD-UHFFFAOYSA-N 2 2 285.432 0.945 20 0 CCADLP CCCC[N@@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000061757793 348659386 /nfs/dbraw/zinc/65/93/86/348659386.db2.gz JCRREDRPVAEAMD-UHFFFAOYSA-N 2 2 285.432 0.945 20 0 CCADLP C[C@]1(C(=O)NCCCCn2cc[nH+]c2)CC[NH2+]C1 ZINC000062902840 348672808 /nfs/dbraw/zinc/67/28/08/348672808.db2.gz DAKNGTMCPWJXGV-ZDUSSCGKSA-N 2 2 250.346 0.779 20 0 CCADLP CNC(=O)NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063190098 348682224 /nfs/dbraw/zinc/68/22/24/348682224.db2.gz AXLSQKGNZCTYCR-NWDGAFQWSA-N 2 2 282.388 0.439 20 0 CCADLP CNC(=O)NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063190098 348682227 /nfs/dbraw/zinc/68/22/27/348682227.db2.gz AXLSQKGNZCTYCR-NWDGAFQWSA-N 2 2 282.388 0.439 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCN1C(=O)CCC1=O ZINC000063195110 348682446 /nfs/dbraw/zinc/68/24/46/348682446.db2.gz LXJYVAKXBRPWOK-GHMZBOCLSA-N 2 2 253.346 0.337 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCN1C(=O)CCC1=O ZINC000063195110 348682450 /nfs/dbraw/zinc/68/24/50/348682450.db2.gz LXJYVAKXBRPWOK-GHMZBOCLSA-N 2 2 253.346 0.337 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000066630331 348750632 /nfs/dbraw/zinc/75/06/32/348750632.db2.gz KCQITCVWEKITTR-UHFFFAOYSA-N 2 2 281.425 0.996 20 0 CCADLP CC[NH+](CC)CCC[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000069135242 348832425 /nfs/dbraw/zinc/83/24/25/348832425.db2.gz SKKTXPLHIAFPGF-GFCCVEGCSA-N 2 2 262.419 0.885 20 0 CCADLP [NH3+]CC[C@H]1CCCC[N@@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC000070150102 348873547 /nfs/dbraw/zinc/87/35/47/348873547.db2.gz VNYOXODRXIAEFQ-OLZOCXBDSA-N 2 2 269.389 0.485 20 0 CCADLP [NH3+]CC[C@H]1CCCC[N@H+]1CC(=O)NC[C@@H]1CCCO1 ZINC000070150102 348873548 /nfs/dbraw/zinc/87/35/48/348873548.db2.gz VNYOXODRXIAEFQ-OLZOCXBDSA-N 2 2 269.389 0.485 20 0 CCADLP CCCc1[nH+]ccn1CC(=O)N1CC[NH+](C)CC1 ZINC000070424237 348889036 /nfs/dbraw/zinc/88/90/36/348889036.db2.gz ABAKTBLSHRHKKR-UHFFFAOYSA-N 2 2 250.346 0.610 20 0 CCADLP Cn1cc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cn1 ZINC000070703406 348895805 /nfs/dbraw/zinc/89/58/05/348895805.db2.gz HEFXGWLHHKWGOU-UHFFFAOYSA-N 2 2 277.416 0.634 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC[NH+]1CCCCC1 ZINC000071925380 348913974 /nfs/dbraw/zinc/91/39/74/348913974.db2.gz GNKWDEORPPBQTD-CQSZACIVSA-N 2 2 298.431 0.492 20 0 CCADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1cnn(C)c1 ZINC000076898008 349093807 /nfs/dbraw/zinc/09/38/07/349093807.db2.gz PDOPMDGDAIWINF-GFCCVEGCSA-N 2 2 252.362 0.621 20 0 CCADLP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H](C)N1C ZINC000339616283 215271785 /nfs/dbraw/zinc/27/17/85/215271785.db2.gz FZGLPQQTWDXSEH-OKILXGFUSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H](C)N1C ZINC000339616283 215271786 /nfs/dbraw/zinc/27/17/86/215271786.db2.gz FZGLPQQTWDXSEH-OKILXGFUSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@@H]1CN(CCC(=O)N2CC[NH+](C)CC2)C[C@H](C)[N@H+]1C ZINC000339616283 215271789 /nfs/dbraw/zinc/27/17/89/215271789.db2.gz FZGLPQQTWDXSEH-OKILXGFUSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@@H]1CN(CCC(=O)N2CC[NH+](C)CC2)C[C@H](C)[N@@H+]1C ZINC000339616283 215271791 /nfs/dbraw/zinc/27/17/91/215271791.db2.gz FZGLPQQTWDXSEH-OKILXGFUSA-N 2 2 282.432 0.175 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080973350 349236596 /nfs/dbraw/zinc/23/65/96/349236596.db2.gz WARUCOPQQLGJCC-QWRGUYRKSA-N 2 2 293.371 0.823 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080973350 349236597 /nfs/dbraw/zinc/23/65/97/349236597.db2.gz WARUCOPQQLGJCC-QWRGUYRKSA-N 2 2 293.371 0.823 20 0 CCADLP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080984811 349237651 /nfs/dbraw/zinc/23/76/51/349237651.db2.gz WHUICKYJZZMNOV-JTQLQIEISA-N 2 2 279.344 0.435 20 0 CCADLP CNC(=O)NC(=O)CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080984811 349237654 /nfs/dbraw/zinc/23/76/54/349237654.db2.gz WHUICKYJZZMNOV-JTQLQIEISA-N 2 2 279.344 0.435 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)Nc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000081247019 349252475 /nfs/dbraw/zinc/25/24/75/349252475.db2.gz DSEPGORYZWMMPM-LBPRGKRZSA-N 2 2 287.323 0.536 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)Nc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000081247019 349252479 /nfs/dbraw/zinc/25/24/79/349252479.db2.gz DSEPGORYZWMMPM-LBPRGKRZSA-N 2 2 287.323 0.536 20 0 CCADLP Cc1[nH+]ccn1CCCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000081444986 349266031 /nfs/dbraw/zinc/26/60/31/349266031.db2.gz KRWTTZMIXDOYHI-ZDUSSCGKSA-N 2 2 280.372 0.419 20 0 CCADLP Cc1[nH+]ccn1CCCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000081444986 349266034 /nfs/dbraw/zinc/26/60/34/349266034.db2.gz KRWTTZMIXDOYHI-ZDUSSCGKSA-N 2 2 280.372 0.419 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCOCC2)C1 ZINC000081516612 349271423 /nfs/dbraw/zinc/27/14/23/349271423.db2.gz MBNKXMSDYRRAPU-AWEZNQCLSA-N 2 2 283.416 0.509 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCOCC2)C1 ZINC000081516612 349271428 /nfs/dbraw/zinc/27/14/28/349271428.db2.gz MBNKXMSDYRRAPU-AWEZNQCLSA-N 2 2 283.416 0.509 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000081516612 349271430 /nfs/dbraw/zinc/27/14/30/349271430.db2.gz MBNKXMSDYRRAPU-AWEZNQCLSA-N 2 2 283.416 0.509 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000081516612 349271435 /nfs/dbraw/zinc/27/14/35/349271435.db2.gz MBNKXMSDYRRAPU-AWEZNQCLSA-N 2 2 283.416 0.509 20 0 CCADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081636472 349278481 /nfs/dbraw/zinc/27/84/81/349278481.db2.gz MRETYAUCPQNSJR-CHWSQXEVSA-N 2 2 253.390 0.914 20 0 CCADLP CC[C@H](C(N)=O)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081636472 349278482 /nfs/dbraw/zinc/27/84/82/349278482.db2.gz MRETYAUCPQNSJR-CHWSQXEVSA-N 2 2 253.390 0.914 20 0 CCADLP CC[C@H](C(N)=O)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081636472 349278484 /nfs/dbraw/zinc/27/84/84/349278484.db2.gz MRETYAUCPQNSJR-CHWSQXEVSA-N 2 2 253.390 0.914 20 0 CCADLP CC[C@H](C(N)=O)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081636472 349278486 /nfs/dbraw/zinc/27/84/86/349278486.db2.gz MRETYAUCPQNSJR-CHWSQXEVSA-N 2 2 253.390 0.914 20 0 CCADLP O=C([C@H]1COCC[NH2+]1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000088370469 349363244 /nfs/dbraw/zinc/36/32/44/349363244.db2.gz QHYQQCZMPDVUBE-CYBMUJFWSA-N 2 2 295.408 0.381 20 0 CCADLP C[C@@H](O)CNc1cc(NCC[N@@H+]2CCCC[C@@H]2C)nc[nH+]1 ZINC000413060150 233319147 /nfs/dbraw/zinc/31/91/47/233319147.db2.gz MNHFHGADFPGUIO-QWHCGFSZSA-N 2 2 293.415 0.978 20 0 CCADLP C[C@@H](O)CNc1cc(NCC[N@H+]2CCCC[C@@H]2C)nc[nH+]1 ZINC000413060150 233319155 /nfs/dbraw/zinc/31/91/55/233319155.db2.gz MNHFHGADFPGUIO-QWHCGFSZSA-N 2 2 293.415 0.978 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCCN2CC[NH+](C)CC2)C[N@@H+]1C1CC1 ZINC000128632058 350195329 /nfs/dbraw/zinc/19/53/29/350195329.db2.gz GENYYFSBRXHWIC-GJZGRUSLSA-N 3 2 280.460 0.839 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCCN2CC[NH+](C)CC2)C[N@H+]1C1CC1 ZINC000128632058 350195332 /nfs/dbraw/zinc/19/53/32/350195332.db2.gz GENYYFSBRXHWIC-GJZGRUSLSA-N 3 2 280.460 0.839 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[NH+]1CCOCC1)[NH+](C)C ZINC000129647787 350219589 /nfs/dbraw/zinc/21/95/89/350219589.db2.gz FJVOQWBMDJYRMD-LBPRGKRZSA-N 2 2 257.378 0.021 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000091662263 180220273 /nfs/dbraw/zinc/22/02/73/180220273.db2.gz HOUSIHCFWQJAPN-ZDUSSCGKSA-N 2 2 263.341 0.206 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000091662263 180220276 /nfs/dbraw/zinc/22/02/76/180220276.db2.gz HOUSIHCFWQJAPN-ZDUSSCGKSA-N 2 2 263.341 0.206 20 0 CCADLP CC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000130364044 350235863 /nfs/dbraw/zinc/23/58/63/350235863.db2.gz GRXVECJAMFREOC-CYBMUJFWSA-N 2 2 280.372 0.673 20 0 CCADLP CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000133725921 350343011 /nfs/dbraw/zinc/34/30/11/350343011.db2.gz LURUBAIYJZYLEZ-SMDDNHRTSA-N 2 2 269.389 0.293 20 0 CCADLP CCC(CC)[C@H](C(=O)NC[C@H]([NH3+])C1CC1)[NH+]1CCOCC1 ZINC000137595082 350437254 /nfs/dbraw/zinc/43/72/54/350437254.db2.gz XWVPGGLKLGVUCA-LSDHHAIUSA-N 2 2 297.443 0.977 20 0 CCADLP CC(C)NC(=O)CC[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000105930427 186092587 /nfs/dbraw/zinc/09/25/87/186092587.db2.gz RWTKOFAKKKYLBA-UHFFFAOYSA-N 2 2 293.415 0.452 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N(C)C3CC3)C2)CC1 ZINC000107370405 186171430 /nfs/dbraw/zinc/17/14/30/186171430.db2.gz KZRZSZOPHQPVRF-OAHLLOKOSA-N 2 2 294.443 0.319 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N(C)C3CC3)C2)CC1 ZINC000107370405 186171432 /nfs/dbraw/zinc/17/14/32/186171432.db2.gz KZRZSZOPHQPVRF-OAHLLOKOSA-N 2 2 294.443 0.319 20 0 CCADLP CCCCCNC(=O)[C@H](C)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107577169 186179267 /nfs/dbraw/zinc/17/92/67/186179267.db2.gz WNMKATUUECWEGH-YNEHKIRRSA-N 2 2 253.390 0.833 20 0 CCADLP C[C@H](Nc1nc(N(C)C)cc[nH+]1)[C@H]1C[N@H+](C)CCO1 ZINC000154782423 350598708 /nfs/dbraw/zinc/59/87/08/350598708.db2.gz CHCJTXVQPLIEJX-WDEREUQCSA-N 2 2 265.361 0.674 20 0 CCADLP C[C@H](Nc1nc(N(C)C)cc[nH+]1)[C@H]1C[N@@H+](C)CCO1 ZINC000154782423 350598713 /nfs/dbraw/zinc/59/87/13/350598713.db2.gz CHCJTXVQPLIEJX-WDEREUQCSA-N 2 2 265.361 0.674 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2ccccc2O)[C@H](C[NH3+])C1 ZINC000157315573 350643024 /nfs/dbraw/zinc/64/30/24/350643024.db2.gz YEHLUEBMLNVWAS-GFCCVEGCSA-N 2 2 263.341 0.036 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2ccccc2O)[C@H](C[NH3+])C1 ZINC000157315573 350643027 /nfs/dbraw/zinc/64/30/27/350643027.db2.gz YEHLUEBMLNVWAS-GFCCVEGCSA-N 2 2 263.341 0.036 20 0 CCADLP COC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)CC1 ZINC000156194926 350626818 /nfs/dbraw/zinc/62/68/18/350626818.db2.gz OZWKKTKXZDCLIK-YPMHNXCESA-N 2 2 297.399 0.210 20 0 CCADLP COC(=O)C1CCN(C(=O)C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)CC1 ZINC000156194926 350626822 /nfs/dbraw/zinc/62/68/22/350626822.db2.gz OZWKKTKXZDCLIK-YPMHNXCESA-N 2 2 297.399 0.210 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC[NH+](CC3(O)CCOCC3)CC2)CCO1 ZINC000156296864 350628466 /nfs/dbraw/zinc/62/84/66/350628466.db2.gz NSYIYTNNNXMKNO-CQSZACIVSA-N 2 2 298.427 0.713 20 0 CCADLP C[C@@H]1C[N@H+](C2CC[NH+](CC3(O)CCOCC3)CC2)CCO1 ZINC000156296864 350628467 /nfs/dbraw/zinc/62/84/67/350628467.db2.gz NSYIYTNNNXMKNO-CQSZACIVSA-N 2 2 298.427 0.713 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC[N@H+]1C ZINC000156272149 350628487 /nfs/dbraw/zinc/62/84/87/350628487.db2.gz YWABDVWNNWYWJR-KBUPBQIOSA-N 3 2 267.417 0.922 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC[NH+]1C ZINC000156272149 350628488 /nfs/dbraw/zinc/62/84/88/350628488.db2.gz YWABDVWNNWYWJR-KBUPBQIOSA-N 3 2 267.417 0.922 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC[NH+]1C ZINC000156272149 350628489 /nfs/dbraw/zinc/62/84/89/350628489.db2.gz YWABDVWNNWYWJR-KBUPBQIOSA-N 3 2 267.417 0.922 20 0 CCADLP C[C@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000156483133 350630215 /nfs/dbraw/zinc/63/02/15/350630215.db2.gz YTHHGIUVJFIRNK-XQQFMLRXSA-N 2 2 262.357 0.997 20 0 CCADLP C[C@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000156483133 350630216 /nfs/dbraw/zinc/63/02/16/350630216.db2.gz YTHHGIUVJFIRNK-XQQFMLRXSA-N 2 2 262.357 0.997 20 0 CCADLP O=C1CCCN1[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000161795664 350729331 /nfs/dbraw/zinc/72/93/31/350729331.db2.gz WHYNOWLUXLPILK-ZDUSSCGKSA-N 2 2 262.357 0.970 20 0 CCADLP Cc1[nH+]ccn1-c1cncc(NC[C@H]2C[N@@H+](C)CCO2)n1 ZINC000161900271 350731238 /nfs/dbraw/zinc/73/12/38/350731238.db2.gz RZRJUISREXGJOH-LBPRGKRZSA-N 2 2 288.355 0.713 20 0 CCADLP CCC[C@@H]([NH3+])C(=O)N1CC[NH+](CCOCC)CC1 ZINC000164460780 350778875 /nfs/dbraw/zinc/77/88/75/350778875.db2.gz TZJAJNHDVZTFOE-GFCCVEGCSA-N 2 2 257.378 0.295 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@@H]([NH3+])CCSC)CC1 ZINC000164460522 350778997 /nfs/dbraw/zinc/77/89/97/350778997.db2.gz JKJKDUNWLSQYDI-LBPRGKRZSA-N 2 2 289.445 0.248 20 0 CCADLP C[C@]1(C(=O)NCc2cccnc2-n2cc[nH+]c2)CC[NH2+]C1 ZINC000164798105 350782739 /nfs/dbraw/zinc/78/27/39/350782739.db2.gz PKIIRGLYKMZLLO-HNNXBMFYSA-N 2 2 285.351 0.883 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](CCC(=O)Nc2cccc(F)c2)CCO1 ZINC000164949830 350784903 /nfs/dbraw/zinc/78/49/03/350784903.db2.gz AXWRFKBHEBPTLC-ZDUSSCGKSA-N 2 2 281.331 0.814 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(F)c2)CCO1 ZINC000164949830 350784904 /nfs/dbraw/zinc/78/49/04/350784904.db2.gz AXWRFKBHEBPTLC-ZDUSSCGKSA-N 2 2 281.331 0.814 20 0 CCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)[C@H]1CSC[NH2+]1 ZINC000165257081 350789069 /nfs/dbraw/zinc/78/90/69/350789069.db2.gz BODTZHCTVYPASL-LLVKDONJSA-N 2 2 280.397 0.541 20 0 CCADLP CC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000165459285 350789920 /nfs/dbraw/zinc/78/99/20/350789920.db2.gz GRXVECJAMFREOC-ZDUSSCGKSA-N 2 2 280.372 0.673 20 0 CCADLP CSCC[C@@H]([NH3+])C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000165588910 350791873 /nfs/dbraw/zinc/79/18/73/350791873.db2.gz BLKHJLARPZIBJU-WDEREUQCSA-N 2 2 270.402 0.716 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000165683384 350792650 /nfs/dbraw/zinc/79/26/50/350792650.db2.gz CIWWKWLWDAOOQT-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000173914956 351061366 /nfs/dbraw/zinc/06/13/66/351061366.db2.gz MVQKNAXLYYYKHT-VXGBXAGGSA-N 2 2 284.404 0.494 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000173914956 351061368 /nfs/dbraw/zinc/06/13/68/351061368.db2.gz MVQKNAXLYYYKHT-VXGBXAGGSA-N 2 2 284.404 0.494 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000173914956 351061372 /nfs/dbraw/zinc/06/13/72/351061372.db2.gz MVQKNAXLYYYKHT-VXGBXAGGSA-N 2 2 284.404 0.494 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000173914956 351061374 /nfs/dbraw/zinc/06/13/74/351061374.db2.gz MVQKNAXLYYYKHT-VXGBXAGGSA-N 2 2 284.404 0.494 20 0 CCADLP O=C(NCCn1cc[nH+]c1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173928532 351062569 /nfs/dbraw/zinc/06/25/69/351062569.db2.gz QFTSNLVDXBALOU-ZDUSSCGKSA-N 2 2 275.356 0.539 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000173914969 351062606 /nfs/dbraw/zinc/06/26/06/351062606.db2.gz MVQKNAXLYYYKHT-NWDGAFQWSA-N 2 2 284.404 0.494 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000173914969 351062611 /nfs/dbraw/zinc/06/26/11/351062611.db2.gz MVQKNAXLYYYKHT-NWDGAFQWSA-N 2 2 284.404 0.494 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000173914969 351062614 /nfs/dbraw/zinc/06/26/14/351062614.db2.gz MVQKNAXLYYYKHT-NWDGAFQWSA-N 2 2 284.404 0.494 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000173914969 351062616 /nfs/dbraw/zinc/06/26/16/351062616.db2.gz MVQKNAXLYYYKHT-NWDGAFQWSA-N 2 2 284.404 0.494 20 0 CCADLP C[N@H+](CCNS(C)(=O)=O)CC[C@H]1CCCC[NH+]1C ZINC000173951703 351064530 /nfs/dbraw/zinc/06/45/30/351064530.db2.gz CBFIRRKUTPUJAB-GFCCVEGCSA-N 2 2 277.434 0.342 20 0 CCADLP C[N@@H+](CCNS(C)(=O)=O)CC[C@H]1CCCC[NH+]1C ZINC000173951703 351064531 /nfs/dbraw/zinc/06/45/31/351064531.db2.gz CBFIRRKUTPUJAB-GFCCVEGCSA-N 2 2 277.434 0.342 20 0 CCADLP C[NH+](CCNS(C)(=O)=O)CC[C@H]1CCCC[N@@H+]1C ZINC000173951703 351064532 /nfs/dbraw/zinc/06/45/32/351064532.db2.gz CBFIRRKUTPUJAB-GFCCVEGCSA-N 2 2 277.434 0.342 20 0 CCADLP C[NH+](CCNS(C)(=O)=O)CC[C@H]1CCCC[N@H+]1C ZINC000173951703 351064533 /nfs/dbraw/zinc/06/45/33/351064533.db2.gz CBFIRRKUTPUJAB-GFCCVEGCSA-N 2 2 277.434 0.342 20 0 CCADLP CCC[NH+]1CCC([N@H+](C)CC(=O)NCC(=O)OC)CC1 ZINC000177050690 351192567 /nfs/dbraw/zinc/19/25/67/351192567.db2.gz OSSRXSLLKFMGCV-UHFFFAOYSA-N 2 2 285.388 0.082 20 0 CCADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)NCC(=O)OC)CC1 ZINC000177050690 351192568 /nfs/dbraw/zinc/19/25/68/351192568.db2.gz OSSRXSLLKFMGCV-UHFFFAOYSA-N 2 2 285.388 0.082 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCN1C(=O)CCC1=O ZINC000175592854 351135508 /nfs/dbraw/zinc/13/55/08/351135508.db2.gz MVKQEIMNNSPDEF-OLZOCXBDSA-N 2 2 279.384 0.694 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCN1C(=O)CCC1=O ZINC000175592854 351135511 /nfs/dbraw/zinc/13/55/11/351135511.db2.gz MVKQEIMNNSPDEF-OLZOCXBDSA-N 2 2 279.384 0.694 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCN1C(=O)CCC1=O ZINC000175592854 351135516 /nfs/dbraw/zinc/13/55/16/351135516.db2.gz MVKQEIMNNSPDEF-OLZOCXBDSA-N 2 2 279.384 0.694 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCN1C(=O)CCC1=O ZINC000175592854 351135519 /nfs/dbraw/zinc/13/55/19/351135519.db2.gz MVKQEIMNNSPDEF-OLZOCXBDSA-N 2 2 279.384 0.694 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000178670853 351239238 /nfs/dbraw/zinc/23/92/38/351239238.db2.gz ZJGLUTZHJPASII-KFWWJZLASA-N 3 2 296.459 0.469 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000178670853 351239240 /nfs/dbraw/zinc/23/92/40/351239240.db2.gz ZJGLUTZHJPASII-KFWWJZLASA-N 3 2 296.459 0.469 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000178830685 351247286 /nfs/dbraw/zinc/24/72/86/351247286.db2.gz UNUFSYRDJZJCGV-ZDUSSCGKSA-N 3 2 282.432 0.128 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1[NH+]1CCOCC1 ZINC000178860575 351249445 /nfs/dbraw/zinc/24/94/45/351249445.db2.gz KWHVNIDSTISHFQ-YIYPIFLZSA-N 2 2 281.400 0.293 20 0 CCADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NCCCOC)C1 ZINC000177838071 351214257 /nfs/dbraw/zinc/21/42/57/351214257.db2.gz KXMWMUWSEJRSHN-CYBMUJFWSA-N 2 2 271.405 0.413 20 0 CCADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NCCCOC)C1 ZINC000177838071 351214260 /nfs/dbraw/zinc/21/42/60/351214260.db2.gz KXMWMUWSEJRSHN-CYBMUJFWSA-N 2 2 271.405 0.413 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCCCOC)C1 ZINC000177838071 351214261 /nfs/dbraw/zinc/21/42/61/351214261.db2.gz KXMWMUWSEJRSHN-CYBMUJFWSA-N 2 2 271.405 0.413 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCCCOC)C1 ZINC000177838071 351214263 /nfs/dbraw/zinc/21/42/63/351214263.db2.gz KXMWMUWSEJRSHN-CYBMUJFWSA-N 2 2 271.405 0.413 20 0 CCADLP C[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1(C)CC1 ZINC000181028450 351299300 /nfs/dbraw/zinc/29/93/00/351299300.db2.gz NXZSZUFXJNVDDP-KGLIPLIRSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCC1 ZINC000181042166 351300024 /nfs/dbraw/zinc/30/00/24/351300024.db2.gz PECNEILWASDPHK-UKRRQHHQSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000186701666 351509253 /nfs/dbraw/zinc/50/92/53/351509253.db2.gz IKXGVNPPXBNDFW-YPMHNXCESA-N 2 2 272.352 0.991 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2cncs2)CC1 ZINC000188296132 351586064 /nfs/dbraw/zinc/58/60/64/351586064.db2.gz DZHOEQYYCKKRLO-UHFFFAOYSA-N 2 2 296.440 0.828 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCN1CC[NH+](CC(C)(C)O)CC1 ZINC000191477243 351760180 /nfs/dbraw/zinc/76/01/80/351760180.db2.gz QDIHBEFAYORWAV-AWEZNQCLSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H]1COCC[N@H+]1CCN1CC[NH+](CC(C)(C)O)CC1 ZINC000191477243 351760181 /nfs/dbraw/zinc/76/01/81/351760181.db2.gz QDIHBEFAYORWAV-AWEZNQCLSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H]([NH3+])CCC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000193310445 351822086 /nfs/dbraw/zinc/82/20/86/351822086.db2.gz XNMTWQPIZJYTCW-LLVKDONJSA-N 2 2 257.378 0.341 20 0 CCADLP C[C@@H]([NH3+])CCC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000193310445 351822087 /nfs/dbraw/zinc/82/20/87/351822087.db2.gz XNMTWQPIZJYTCW-LLVKDONJSA-N 2 2 257.378 0.341 20 0 CCADLP COC[C@H]([NH3+])C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000220192514 351971373 /nfs/dbraw/zinc/97/13/73/351971373.db2.gz KXEMOWULEGLLSE-SRVKXCTJSA-N 2 2 255.362 0.045 20 0 CCADLP COC[C@H]([NH3+])C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000220192514 351971375 /nfs/dbraw/zinc/97/13/75/351971375.db2.gz KXEMOWULEGLLSE-SRVKXCTJSA-N 2 2 255.362 0.045 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231671067 352131690 /nfs/dbraw/zinc/13/16/90/352131690.db2.gz BFDAGFGDCKJWKT-GFCCVEGCSA-N 2 2 284.404 0.542 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231671067 352131693 /nfs/dbraw/zinc/13/16/93/352131693.db2.gz BFDAGFGDCKJWKT-GFCCVEGCSA-N 2 2 284.404 0.542 20 0 CCADLP C[C@H](CC[NH2+]Cc1c[nH+]c(N(C)C)n1C)[S@@](C)=O ZINC000229787562 352096377 /nfs/dbraw/zinc/09/63/77/352096377.db2.gz LRVVIOVBLZZLOQ-MLCYQJTMSA-N 2 2 272.418 0.733 20 0 CCADLP CSC1(C[NH2+]CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000235223038 352181029 /nfs/dbraw/zinc/18/10/29/352181029.db2.gz PNAKBQMKGKXVKC-UHFFFAOYSA-N 2 2 257.403 0.246 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655414255 412562580 /nfs/dbraw/zinc/56/25/80/412562580.db2.gz IIBFUVOKRCWFEV-GFCCVEGCSA-N 2 2 264.373 0.950 20 0 CCADLP COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1CCC1CC[NH2+]CC1 ZINC000603432412 363131159 /nfs/dbraw/zinc/13/11/59/363131159.db2.gz IKSACIVEXXKCNG-RYUDHWBXSA-N 2 2 258.337 0.962 20 0 CCADLP COC(=O)[C@@H]1C[C@H](F)C[N@H+]1CCC1CC[NH2+]CC1 ZINC000603432412 363131162 /nfs/dbraw/zinc/13/11/62/363131162.db2.gz IKSACIVEXXKCNG-RYUDHWBXSA-N 2 2 258.337 0.962 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N(C)CC[NH+]1CCOCC1 ZINC000236991523 352234321 /nfs/dbraw/zinc/23/43/21/352234321.db2.gz NWENTEDPHGNQHP-RYUDHWBXSA-N 2 2 257.378 0.150 20 0 CCADLP CCOC[C@H](O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000603556714 363146700 /nfs/dbraw/zinc/14/67/00/363146700.db2.gz IHVYRCAFKFFJRA-CHWSQXEVSA-N 2 2 253.346 0.917 20 0 CCADLP CCOC[C@H](O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000603556714 363146701 /nfs/dbraw/zinc/14/67/01/363146701.db2.gz IHVYRCAFKFFJRA-CHWSQXEVSA-N 2 2 253.346 0.917 20 0 CCADLP C[C@H](CNC(=O)[C@H]([NH3+])c1ccccc1)C[NH+]1CCOCC1 ZINC000237460455 352266065 /nfs/dbraw/zinc/26/60/65/352266065.db2.gz KEMKUDGZHJFPEE-UKRRQHHQSA-N 2 2 291.395 0.771 20 0 CCADLP OC[C@@]1([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CCOC1 ZINC000542692487 290956221 /nfs/dbraw/zinc/95/62/21/290956221.db2.gz SVIRFUZRCPIQSE-INIZCTEOSA-N 2 2 291.395 0.787 20 0 CCADLP O=C([C@@H]1COCC[NH2+]1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000237959306 352291392 /nfs/dbraw/zinc/29/13/92/352291392.db2.gz HSBFQUYNXMVGLD-HNNXBMFYSA-N 2 2 295.427 0.699 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[C@@H]1[NH3+] ZINC000655418021 412563749 /nfs/dbraw/zinc/56/37/49/412563749.db2.gz NCKKJZKUVXKJIK-UTUOFQBUSA-N 2 2 262.357 0.641 20 0 CCADLP O=C1NCC[C@@H]1[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000245702635 352333620 /nfs/dbraw/zinc/33/36/20/352333620.db2.gz VRKWEXDDUWOVKA-STQMWFEESA-N 2 2 251.374 0.825 20 0 CCADLP O=C1NCC[C@@H]1[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000245702635 352333625 /nfs/dbraw/zinc/33/36/25/352333625.db2.gz VRKWEXDDUWOVKA-STQMWFEESA-N 2 2 251.374 0.825 20 0 CCADLP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655417316 412563913 /nfs/dbraw/zinc/56/39/13/412563913.db2.gz HPAWUVIPWXFBTI-BXUZGUMPSA-N 2 2 264.373 0.935 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NCC(=O)OC)C1 ZINC000246117106 352349412 /nfs/dbraw/zinc/34/94/12/352349412.db2.gz CRARNAYKWNUODT-OLZOCXBDSA-N 2 2 299.415 0.328 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NCC(=O)OC)C1 ZINC000246117106 352349415 /nfs/dbraw/zinc/34/94/15/352349415.db2.gz CRARNAYKWNUODT-OLZOCXBDSA-N 2 2 299.415 0.328 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NCC(=O)OC)C1 ZINC000246117106 352349418 /nfs/dbraw/zinc/34/94/18/352349418.db2.gz CRARNAYKWNUODT-OLZOCXBDSA-N 2 2 299.415 0.328 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)NCC(=O)OC)C1 ZINC000246117106 352349421 /nfs/dbraw/zinc/34/94/21/352349421.db2.gz CRARNAYKWNUODT-OLZOCXBDSA-N 2 2 299.415 0.328 20 0 CCADLP C([C@H]1CCCO1)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000247127088 352400650 /nfs/dbraw/zinc/40/06/50/352400650.db2.gz ZDZVSHWMROGLHH-UONOGXRCSA-N 2 2 254.374 0.820 20 0 CCADLP C([C@H]1CCCO1)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000247127088 352400652 /nfs/dbraw/zinc/40/06/52/352400652.db2.gz ZDZVSHWMROGLHH-UONOGXRCSA-N 2 2 254.374 0.820 20 0 CCADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)N3CCOCC3)CC[C@H]21 ZINC000248216394 352433839 /nfs/dbraw/zinc/43/38/39/352433839.db2.gz ZSVGIBCSKYBXNT-UONOGXRCSA-N 2 2 281.400 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/nfs/dbraw/zinc/47/08/75/352470875.db2.gz FDGATGDBIUXUFP-KBPBESRZSA-N 2 2 266.389 0.660 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(CCCn2cc[nH+]c2)[C@@H](C)C1 ZINC000248986613 352470879 /nfs/dbraw/zinc/47/08/79/352470879.db2.gz FDGATGDBIUXUFP-KBPBESRZSA-N 2 2 266.389 0.660 20 0 CCADLP CN(C)c1nc(N)nc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)n1 ZINC000252869154 352526067 /nfs/dbraw/zinc/52/60/67/352526067.db2.gz RUVXEQIGPCHPGL-DCAQKATOSA-N 2 2 291.403 0.079 20 0 CCADLP CN(C)c1nc(N)nc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)n1 ZINC000252869154 352526070 /nfs/dbraw/zinc/52/60/70/352526070.db2.gz RUVXEQIGPCHPGL-DCAQKATOSA-N 2 2 291.403 0.079 20 0 CCADLP C[N@H+](CCNC(=O)NCCCn1cc[nH+]c1)C1CC1 ZINC000264855278 352602804 /nfs/dbraw/zinc/60/28/04/352602804.db2.gz MMUBMUXBPQHCGX-UHFFFAOYSA-N 2 2 265.361 0.667 20 0 CCADLP C[N@@H+](CCNC(=O)NCCCn1cc[nH+]c1)C1CC1 ZINC000264855278 352602810 /nfs/dbraw/zinc/60/28/10/352602810.db2.gz MMUBMUXBPQHCGX-UHFFFAOYSA-N 2 2 265.361 0.667 20 0 CCADLP C[N@H+](CCNC(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000264888099 352604960 /nfs/dbraw/zinc/60/49/60/352604960.db2.gz RUQZIXUEAKYBRA-UHFFFAOYSA-N 2 2 251.334 0.277 20 0 CCADLP C[N@@H+](CCNC(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000264888099 352604962 /nfs/dbraw/zinc/60/49/62/352604962.db2.gz RUQZIXUEAKYBRA-UHFFFAOYSA-N 2 2 251.334 0.277 20 0 CCADLP CS(=O)(=O)[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000261781666 352564200 /nfs/dbraw/zinc/56/42/00/352564200.db2.gz NWLCWTYNEYRFCA-QWHCGFSZSA-N 2 2 274.430 0.885 20 0 CCADLP CS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000261781666 352564204 /nfs/dbraw/zinc/56/42/04/352564204.db2.gz NWLCWTYNEYRFCA-QWHCGFSZSA-N 2 2 274.430 0.885 20 0 CCADLP [NH3+]CC1(C(=O)NCc2cn3ccccc3[nH+]2)CCOCC1 ZINC000262099982 352577379 /nfs/dbraw/zinc/57/73/79/352577379.db2.gz DPRFLNNVBCXECN-UHFFFAOYSA-N 2 2 288.351 0.706 20 0 CCADLP COCC[NH2+]CCNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000418509370 234146327 /nfs/dbraw/zinc/14/63/27/234146327.db2.gz OKEKGYCZHOFBNW-LBPRGKRZSA-N 2 2 295.387 0.882 20 0 CCADLP Cc1nc(NC2CC[NH+](CC(=O)N(C)C)CC2)cc[nH+]1 ZINC000266457491 352703729 /nfs/dbraw/zinc/70/37/29/352703729.db2.gz YDCKIWMPRJRVHL-UHFFFAOYSA-N 2 2 277.372 0.750 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CC(=O)NCC2CC2)CC1 ZINC000266950055 352735351 /nfs/dbraw/zinc/73/53/51/352735351.db2.gz UFQSCMLSEKYQKE-UHFFFAOYSA-N 2 2 277.372 0.068 20 0 CCADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)NC[C@H]1CCCO1 ZINC000267500895 352771045 /nfs/dbraw/zinc/77/10/45/352771045.db2.gz UANZKUDEIYNVCL-CYBMUJFWSA-N 2 2 292.383 0.884 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CCCn1cc[nH+]c1 ZINC000270942244 353005994 /nfs/dbraw/zinc/00/59/94/353005994.db2.gz MTDOBQUZKUYEFD-AWEZNQCLSA-N 2 2 294.399 0.700 20 0 CCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCn3cc[nH+]c3)[C@@H]2C1 ZINC000272157240 353039495 /nfs/dbraw/zinc/03/94/95/353039495.db2.gz CZQBSMDTJPUOKK-CHWSQXEVSA-N 2 2 277.372 0.619 20 0 CCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)NCCn3cc[nH+]c3)[C@@H]2C1 ZINC000272157240 353039496 /nfs/dbraw/zinc/03/94/96/353039496.db2.gz CZQBSMDTJPUOKK-CHWSQXEVSA-N 2 2 277.372 0.619 20 0 CCADLP C[C@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)[NH+](C)C ZINC000272296399 353050903 /nfs/dbraw/zinc/05/09/03/353050903.db2.gz PYWKMOBEDOVVRB-LLVKDONJSA-N 2 2 273.340 0.947 20 0 CCADLP CC(C)N1CC[N@H+](CCCn2cc[nH+]c2)CC1=O ZINC000272653959 353082894 /nfs/dbraw/zinc/08/28/94/353082894.db2.gz ZVZHWSAVVORYEW-UHFFFAOYSA-N 2 2 250.346 0.826 20 0 CCADLP CC(C)N1CC[N@@H+](CCCn2cc[nH+]c2)CC1=O ZINC000272653959 353082898 /nfs/dbraw/zinc/08/28/98/353082898.db2.gz ZVZHWSAVVORYEW-UHFFFAOYSA-N 2 2 250.346 0.826 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000152918134 188052525 /nfs/dbraw/zinc/05/25/25/188052525.db2.gz WGUIYQAKNARLOS-OLZOCXBDSA-N 2 2 274.368 0.871 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000152918134 188052526 /nfs/dbraw/zinc/05/25/26/188052526.db2.gz WGUIYQAKNARLOS-OLZOCXBDSA-N 2 2 274.368 0.871 20 0 CCADLP O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000275077600 353183601 /nfs/dbraw/zinc/18/36/01/353183601.db2.gz CGJCJPVXAXMTNP-SNVBAGLBSA-N 2 2 290.289 0.884 20 0 CCADLP O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000275077600 353183605 /nfs/dbraw/zinc/18/36/05/353183605.db2.gz CGJCJPVXAXMTNP-SNVBAGLBSA-N 2 2 290.289 0.884 20 0 CCADLP O=C(NCC(F)(F)F)[C@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000275077599 353183814 /nfs/dbraw/zinc/18/38/14/353183814.db2.gz CGJCJPVXAXMTNP-JTQLQIEISA-N 2 2 290.289 0.884 20 0 CCADLP O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000275077599 353183816 /nfs/dbraw/zinc/18/38/16/353183816.db2.gz CGJCJPVXAXMTNP-JTQLQIEISA-N 2 2 290.289 0.884 20 0 CCADLP CC[N@H+](C)CCNc1cc(N2CCOCC2)[nH+]cn1 ZINC000277500505 353247140 /nfs/dbraw/zinc/24/71/40/353247140.db2.gz RFEJUTDTJUTNBN-UHFFFAOYSA-N 2 2 265.361 0.677 20 0 CCADLP CC[N@@H+](C)CCNc1cc(N2CCOCC2)[nH+]cn1 ZINC000277500505 353247142 /nfs/dbraw/zinc/24/71/42/353247142.db2.gz RFEJUTDTJUTNBN-UHFFFAOYSA-N 2 2 265.361 0.677 20 0 CCADLP C[NH+]1CCC([N@H+](CCO)Cc2cc(C(N)=O)cs2)CC1 ZINC000155501171 188210022 /nfs/dbraw/zinc/21/00/22/188210022.db2.gz WUAKIGZATHKQML-UHFFFAOYSA-N 2 2 297.424 0.736 20 0 CCADLP C[NH+]1CCC([N@@H+](CCO)Cc2cc(C(N)=O)cs2)CC1 ZINC000155501171 188210023 /nfs/dbraw/zinc/21/00/23/188210023.db2.gz WUAKIGZATHKQML-UHFFFAOYSA-N 2 2 297.424 0.736 20 0 CCADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)N3CCC3)C2)C1 ZINC000336439262 213302541 /nfs/dbraw/zinc/30/25/41/213302541.db2.gz JPOVZZVVRGYVNT-CQSZACIVSA-N 2 2 251.374 0.636 20 0 CCADLP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)N3CCC3)C2)C1 ZINC000336439262 213302544 /nfs/dbraw/zinc/30/25/44/213302544.db2.gz JPOVZZVVRGYVNT-CQSZACIVSA-N 2 2 251.374 0.636 20 0 CCADLP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)N3CCC3)C2)C1 ZINC000336439262 213302547 /nfs/dbraw/zinc/30/25/47/213302547.db2.gz JPOVZZVVRGYVNT-CQSZACIVSA-N 2 2 251.374 0.636 20 0 CCADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)N3CCC3)C2)C1 ZINC000336439262 213302548 /nfs/dbraw/zinc/30/25/48/213302548.db2.gz JPOVZZVVRGYVNT-CQSZACIVSA-N 2 2 251.374 0.636 20 0 CCADLP O=C(NCCn1cc[nH+]c1)c1cc(C[NH+]2CCCC2)on1 ZINC000292612270 198350803 /nfs/dbraw/zinc/35/08/03/198350803.db2.gz MYUFQRDIQDYQKN-UHFFFAOYSA-N 2 2 289.339 0.897 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC000280189606 353345564 /nfs/dbraw/zinc/34/55/64/353345564.db2.gz PZOOYWFAPUUPGT-GFCCVEGCSA-N 2 2 280.372 0.521 20 0 CCADLP COCC[N@H+]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC000280189606 353345569 /nfs/dbraw/zinc/34/55/69/353345569.db2.gz PZOOYWFAPUUPGT-GFCCVEGCSA-N 2 2 280.372 0.521 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC000280189606 353345570 /nfs/dbraw/zinc/34/55/70/353345570.db2.gz PZOOYWFAPUUPGT-GFCCVEGCSA-N 2 2 280.372 0.521 20 0 CCADLP COCC[N@H+]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC000280189606 353345574 /nfs/dbraw/zinc/34/55/74/353345574.db2.gz PZOOYWFAPUUPGT-GFCCVEGCSA-N 2 2 280.372 0.521 20 0 CCADLP CC(C)(C(=O)NCCn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000282836447 353455145 /nfs/dbraw/zinc/45/51/45/353455145.db2.gz PFWLZMHLGODNDT-UHFFFAOYSA-N 2 2 266.345 0.110 20 0 CCADLP C[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CC(N)=O ZINC000285919039 353562469 /nfs/dbraw/zinc/56/24/69/353562469.db2.gz HWUAAFBQTNYLRE-UHFFFAOYSA-N 2 2 290.411 0.616 20 0 CCADLP C[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CC(N)=O ZINC000285919039 353562471 /nfs/dbraw/zinc/56/24/71/353562471.db2.gz HWUAAFBQTNYLRE-UHFFFAOYSA-N 2 2 290.411 0.616 20 0 CCADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[NH+](CCO)CC1 ZINC000287394296 353643480 /nfs/dbraw/zinc/64/34/80/353643480.db2.gz DADZWWLYFZTOPM-UHFFFAOYSA-N 2 2 278.356 0.840 20 0 CCADLP C[NH+]1CCC(CNC(=O)NCCO)([NH+]2CCCCC2)CC1 ZINC000304352507 354114354 /nfs/dbraw/zinc/11/43/54/354114354.db2.gz RSMPNHNYECRAML-UHFFFAOYSA-N 2 2 298.431 0.228 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CC(C)(C)O)CC1 ZINC000304662347 354119862 /nfs/dbraw/zinc/11/98/62/354119862.db2.gz ALZKTPWJPGGIPP-GFCCVEGCSA-N 2 2 271.405 0.242 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CC(C)(C)O)CC1 ZINC000304662347 354119867 /nfs/dbraw/zinc/11/98/67/354119867.db2.gz ALZKTPWJPGGIPP-GFCCVEGCSA-N 2 2 271.405 0.242 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(CCn2cc[nH+]c2)CC1 ZINC000305274601 354143095 /nfs/dbraw/zinc/14/30/95/354143095.db2.gz ZUNPWGDFFSSOPK-ZDUSSCGKSA-N 2 2 252.362 0.272 20 0 CCADLP O[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)C(F)(F)F ZINC000311064321 354196523 /nfs/dbraw/zinc/19/65/23/354196523.db2.gz SZMBFJCFQPJOKT-VHSXEESVSA-N 2 2 270.295 0.346 20 0 CCADLP CCOC(=O)[C@H](CC)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000311793979 354203560 /nfs/dbraw/zinc/20/35/60/354203560.db2.gz MNHKALOEHLCBBF-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H](C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)C[NH+]1CCCC1 ZINC000312117907 354206713 /nfs/dbraw/zinc/20/67/13/354206713.db2.gz RUWKTGXNWHDHPB-HIFRSBDPSA-N 3 2 269.433 0.763 20 0 CCADLP C[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C[NH+]1CCCC1 ZINC000312117907 354206716 /nfs/dbraw/zinc/20/67/16/354206716.db2.gz RUWKTGXNWHDHPB-HIFRSBDPSA-N 3 2 269.433 0.763 20 0 CCADLP C[C@H]1CCCCN1C(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313338461 354212844 /nfs/dbraw/zinc/21/28/44/354212844.db2.gz JWZJCTADLUTPIN-QWHCGFSZSA-N 2 2 269.389 0.437 20 0 CCADLP C[C@H]1CCCCN1C(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313338461 354212850 /nfs/dbraw/zinc/21/28/50/354212850.db2.gz JWZJCTADLUTPIN-QWHCGFSZSA-N 2 2 269.389 0.437 20 0 CCADLP C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313339226 354213388 /nfs/dbraw/zinc/21/33/88/354213388.db2.gz BWBBNOVQEJRDCY-TZMCWYRMSA-N 2 2 283.416 0.873 20 0 CCADLP C[C@H](C(=O)NC1CCCCC1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313339226 354213390 /nfs/dbraw/zinc/21/33/90/354213390.db2.gz BWBBNOVQEJRDCY-TZMCWYRMSA-N 2 2 283.416 0.873 20 0 CCADLP O=c1ccccn1CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000607751638 363365820 /nfs/dbraw/zinc/36/58/20/363365820.db2.gz MUYYJDLVRIOTFX-OAHLLOKOSA-N 2 2 291.395 0.502 20 0 CCADLP O=c1ccccn1CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000607751638 363365824 /nfs/dbraw/zinc/36/58/24/363365824.db2.gz MUYYJDLVRIOTFX-OAHLLOKOSA-N 2 2 291.395 0.502 20 0 CCADLP C[C@H](CC(=O)NCC[NH+]1CCOCC1)C1CC[NH2+]CC1 ZINC000163419907 188606835 /nfs/dbraw/zinc/60/68/35/188606835.db2.gz CFNWENGLYHPOPZ-CYBMUJFWSA-N 2 2 283.416 0.461 20 0 CCADLP Cc1nc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)nc(N(C)C)[nH+]1 ZINC000330216347 354308017 /nfs/dbraw/zinc/30/80/17/354308017.db2.gz NARYRVWXHIIQLY-MWLCHTKSSA-N 2 2 276.388 0.705 20 0 CCADLP Cc1nc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)nc(N(C)C)[nH+]1 ZINC000330216347 354308022 /nfs/dbraw/zinc/30/80/22/354308022.db2.gz NARYRVWXHIIQLY-MWLCHTKSSA-N 2 2 276.388 0.705 20 0 CCADLP CC[NH2+]CCCNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000557206446 291027009 /nfs/dbraw/zinc/02/70/09/291027009.db2.gz UFGJBPMOWHKHOS-AWEZNQCLSA-N 2 2 298.431 0.492 20 0 CCADLP Cc1cc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)nn1C ZINC000330389356 354340638 /nfs/dbraw/zinc/34/06/38/354340638.db2.gz XYQPWFCJVJKPKC-AAEUAGOBSA-N 2 2 252.362 0.446 20 0 CCADLP Cc1cc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)nn1C ZINC000330389356 354340641 /nfs/dbraw/zinc/34/06/41/354340641.db2.gz XYQPWFCJVJKPKC-AAEUAGOBSA-N 2 2 252.362 0.446 20 0 CCADLP CC[NH+](CC)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000557482168 291033906 /nfs/dbraw/zinc/03/39/06/291033906.db2.gz WQBMOOMEUSHBBB-GFCCVEGCSA-N 2 2 264.373 0.904 20 0 CCADLP C[C@@H](CNC(=O)C1([NH3+])CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655489291 412593170 /nfs/dbraw/zinc/59/31/70/412593170.db2.gz OJNPAJQYAMINDU-GARJFASQSA-N 2 2 255.362 0.092 20 0 CCADLP C[N@@H+]1CCO[C@H]2CCN(c3nc[nH+]c(N)c3Cl)C[C@H]21 ZINC000253394852 283032007 /nfs/dbraw/zinc/03/20/07/283032007.db2.gz XMKFLQZSFIZZMS-BDAKNGLRSA-N 2 2 283.763 0.622 20 0 CCADLP C[N@H+]1CCO[C@H]2CCN(c3nc[nH+]c(N)c3Cl)C[C@H]21 ZINC000253394852 283032009 /nfs/dbraw/zinc/03/20/09/283032009.db2.gz XMKFLQZSFIZZMS-BDAKNGLRSA-N 2 2 283.763 0.622 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000331546769 354603713 /nfs/dbraw/zinc/60/37/13/354603713.db2.gz FKIGABDVNHCDJX-WFASDCNBSA-N 2 2 296.415 0.638 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000331546769 354603714 /nfs/dbraw/zinc/60/37/14/354603714.db2.gz FKIGABDVNHCDJX-WFASDCNBSA-N 2 2 296.415 0.638 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000331546769 354603718 /nfs/dbraw/zinc/60/37/18/354603718.db2.gz FKIGABDVNHCDJX-WFASDCNBSA-N 2 2 296.415 0.638 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000331546769 354603720 /nfs/dbraw/zinc/60/37/20/354603720.db2.gz FKIGABDVNHCDJX-WFASDCNBSA-N 2 2 296.415 0.638 20 0 CCADLP CC1(C)C[NH+](CC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000557623996 291038428 /nfs/dbraw/zinc/03/84/28/291038428.db2.gz DWDQGTRFQPPXHA-CQSZACIVSA-N 2 2 295.427 0.509 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000531940610 358488904 /nfs/dbraw/zinc/48/89/04/358488904.db2.gz ZJUOXAXLDMPHIS-GJZGRUSLSA-N 3 2 268.449 0.554 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000531940610 358488910 /nfs/dbraw/zinc/48/89/10/358488910.db2.gz ZJUOXAXLDMPHIS-GJZGRUSLSA-N 3 2 268.449 0.554 20 0 CCADLP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000333670390 354773410 /nfs/dbraw/zinc/77/34/10/354773410.db2.gz MYJCTKXZFWBVEG-IGQOVBAYSA-N 2 2 296.415 0.147 20 0 CCADLP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000333670390 354773415 /nfs/dbraw/zinc/77/34/15/354773415.db2.gz MYJCTKXZFWBVEG-IGQOVBAYSA-N 2 2 296.415 0.147 20 0 CCADLP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000333670389 354773606 /nfs/dbraw/zinc/77/36/06/354773606.db2.gz MYJCTKXZFWBVEG-FQUUOJAGSA-N 2 2 296.415 0.147 20 0 CCADLP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000333670389 354773610 /nfs/dbraw/zinc/77/36/10/354773610.db2.gz MYJCTKXZFWBVEG-FQUUOJAGSA-N 2 2 296.415 0.147 20 0 CCADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000333708684 354780024 /nfs/dbraw/zinc/78/00/24/354780024.db2.gz FDNKJEFGQJXUSJ-QWHCGFSZSA-N 2 2 296.415 0.243 20 0 CCADLP C[C@H](CO)CCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423018362 234917411 /nfs/dbraw/zinc/91/74/11/234917411.db2.gz YRFYDLMPCWVUHU-YUTCNCBUSA-N 2 2 256.390 0.752 20 0 CCADLP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000333890641 354810881 /nfs/dbraw/zinc/81/08/81/354810881.db2.gz YDHRMEQXGBIYKS-YPMHNXCESA-N 2 2 277.372 0.926 20 0 CCADLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@H]2CNc3ccnn3C2)C1 ZINC000608582519 363441913 /nfs/dbraw/zinc/44/19/13/363441913.db2.gz LQBBDVFPJMKYTF-OLZOCXBDSA-N 2 2 263.389 0.856 20 0 CCADLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@H]2CNc3ccnn3C2)C1 ZINC000608582519 363441914 /nfs/dbraw/zinc/44/19/14/363441914.db2.gz LQBBDVFPJMKYTF-OLZOCXBDSA-N 2 2 263.389 0.856 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000423561258 235006819 /nfs/dbraw/zinc/00/68/19/235006819.db2.gz VOGMDIKUHKQLDF-YUELXQCFSA-N 2 2 295.427 0.602 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000423561258 235006822 /nfs/dbraw/zinc/00/68/22/235006822.db2.gz VOGMDIKUHKQLDF-YUELXQCFSA-N 2 2 295.427 0.602 20 0 CCADLP C[C@H]([NH3+])C1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000335765855 355007420 /nfs/dbraw/zinc/00/74/20/355007420.db2.gz DUKDXDBHBMTERT-WPRPVWTQSA-N 2 2 261.316 0.569 20 0 CCADLP CN(C(=O)[C@H]1CSC[NH2+]1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000336032859 355077409 /nfs/dbraw/zinc/07/74/09/355077409.db2.gz ZOPUELLGCYJJQD-WDEREUQCSA-N 2 2 255.387 0.344 20 0 CCADLP CN(C(=O)[C@H]1CSC[NH2+]1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000336032859 355077411 /nfs/dbraw/zinc/07/74/11/355077411.db2.gz ZOPUELLGCYJJQD-WDEREUQCSA-N 2 2 255.387 0.344 20 0 CCADLP Cc1ccccc1[C@H]([NH3+])C(=O)NCC[N@@H+]1CCCOCC1 ZINC000423821235 235090869 /nfs/dbraw/zinc/09/08/69/235090869.db2.gz HCKPYFWIGFNFLN-HNNXBMFYSA-N 2 2 291.395 0.833 20 0 CCADLP Cc1ccccc1[C@H]([NH3+])C(=O)NCC[N@H+]1CCCOCC1 ZINC000423821235 235090873 /nfs/dbraw/zinc/09/08/73/235090873.db2.gz HCKPYFWIGFNFLN-HNNXBMFYSA-N 2 2 291.395 0.833 20 0 CCADLP Cc1cc(NC(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)cc[nH+]1 ZINC000336109686 355094055 /nfs/dbraw/zinc/09/40/55/355094055.db2.gz IYUOGEPCZLSOKX-YPMHNXCESA-N 2 2 260.341 0.980 20 0 CCADLP COC[C@@]1(C(=O)NCc2cc(C)[nH+]c(C)c2)CC[NH2+]C1 ZINC000424054139 235144396 /nfs/dbraw/zinc/14/43/96/235144396.db2.gz GJEQPNMCZWMXNB-OAHLLOKOSA-N 2 2 277.368 0.941 20 0 CCADLP CCOC(=O)[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336839516 355210860 /nfs/dbraw/zinc/21/08/60/355210860.db2.gz OTYFITYGZLODMD-JSGCOSHPSA-N 2 2 284.400 0.717 20 0 CCADLP CCOC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336839516 355210863 /nfs/dbraw/zinc/21/08/63/355210863.db2.gz OTYFITYGZLODMD-JSGCOSHPSA-N 2 2 284.400 0.717 20 0 CCADLP CCOC(=O)[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000336839516 355210865 /nfs/dbraw/zinc/21/08/65/355210865.db2.gz OTYFITYGZLODMD-JSGCOSHPSA-N 2 2 284.400 0.717 20 0 CCADLP CCOC(=O)[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336839516 355210866 /nfs/dbraw/zinc/21/08/66/355210866.db2.gz OTYFITYGZLODMD-JSGCOSHPSA-N 2 2 284.400 0.717 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H](n2cccn2)C1)C1CC1 ZINC000336843003 355213613 /nfs/dbraw/zinc/21/36/13/355213613.db2.gz VWYYYVPUZUMTAI-CABCVRRESA-N 2 2 278.400 0.975 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H](n2cccn2)C1)C1CC1 ZINC000336843003 355213615 /nfs/dbraw/zinc/21/36/15/355213615.db2.gz VWYYYVPUZUMTAI-CABCVRRESA-N 2 2 278.400 0.975 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H](n2cccn2)C1)C1CC1 ZINC000336843003 355213616 /nfs/dbraw/zinc/21/36/16/355213616.db2.gz VWYYYVPUZUMTAI-CABCVRRESA-N 2 2 278.400 0.975 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H](n2cccn2)C1)C1CC1 ZINC000336843003 355213617 /nfs/dbraw/zinc/21/36/17/355213617.db2.gz VWYYYVPUZUMTAI-CABCVRRESA-N 2 2 278.400 0.975 20 0 CCADLP C[N@@H+]1CCC[C@@H]2CN(CC[NH+]3CCOCC3)CC[C@@H]21 ZINC000336799359 355172948 /nfs/dbraw/zinc/17/29/48/355172948.db2.gz IINHVXODGNWUOS-CABCVRRESA-N 2 2 267.417 0.735 20 0 CCADLP C[N@H+]1CCC[C@@H]2CN(CC[NH+]3CCOCC3)CC[C@@H]21 ZINC000336799359 355172949 /nfs/dbraw/zinc/17/29/49/355172949.db2.gz IINHVXODGNWUOS-CABCVRRESA-N 2 2 267.417 0.735 20 0 CCADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000424178498 235170583 /nfs/dbraw/zinc/17/05/83/235170583.db2.gz WSKXOWXUWSRVDH-NEPJUHHUSA-N 2 2 266.345 0.109 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+](C)CCCn1cc[nH+]c1)C1CC1 ZINC000336818064 355191091 /nfs/dbraw/zinc/19/10/91/355191091.db2.gz TVZPQFRAILNSBU-AWEZNQCLSA-N 3 2 266.389 0.660 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+](C)CCCn1cc[nH+]c1)C1CC1 ZINC000336818064 355191092 /nfs/dbraw/zinc/19/10/92/355191092.db2.gz TVZPQFRAILNSBU-AWEZNQCLSA-N 3 2 266.389 0.660 20 0 CCADLP C[NH+](CCCn1cc[nH+]c1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336818064 355191093 /nfs/dbraw/zinc/19/10/93/355191093.db2.gz TVZPQFRAILNSBU-AWEZNQCLSA-N 3 2 266.389 0.660 20 0 CCADLP C[NH+](CCCn1cc[nH+]c1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336818064 355191094 /nfs/dbraw/zinc/19/10/94/355191094.db2.gz TVZPQFRAILNSBU-AWEZNQCLSA-N 3 2 266.389 0.660 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+](C)CCCn1ccnc1)C1CC1 ZINC000336818064 355191095 /nfs/dbraw/zinc/19/10/95/355191095.db2.gz TVZPQFRAILNSBU-AWEZNQCLSA-N 2 2 266.389 0.660 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+](C)CCCn1ccnc1)C1CC1 ZINC000336818064 355191096 /nfs/dbraw/zinc/19/10/96/355191096.db2.gz TVZPQFRAILNSBU-AWEZNQCLSA-N 2 2 266.389 0.660 20 0 CCADLP C[NH+](CCCn1ccnc1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336818064 355191097 /nfs/dbraw/zinc/19/10/97/355191097.db2.gz TVZPQFRAILNSBU-AWEZNQCLSA-N 2 2 266.389 0.660 20 0 CCADLP C[NH+](CCCn1ccnc1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336818064 355191098 /nfs/dbraw/zinc/19/10/98/355191098.db2.gz TVZPQFRAILNSBU-AWEZNQCLSA-N 2 2 266.389 0.660 20 0 CCADLP C[N@H+](CCCO)C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000336822098 355196252 /nfs/dbraw/zinc/19/62/52/355196252.db2.gz KKDPYAUQAIRZPL-UHFFFAOYSA-N 2 2 285.432 0.097 20 0 CCADLP C[N@@H+](CCCO)C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000336822098 355196253 /nfs/dbraw/zinc/19/62/53/355196253.db2.gz KKDPYAUQAIRZPL-UHFFFAOYSA-N 2 2 285.432 0.097 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+](CCN2CCOCC2)CC1 ZINC000336822098 355196254 /nfs/dbraw/zinc/19/62/54/355196254.db2.gz KKDPYAUQAIRZPL-UHFFFAOYSA-N 2 2 285.432 0.097 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+](CCN2CCOCC2)CC1 ZINC000336822098 355196256 /nfs/dbraw/zinc/19/62/56/355196256.db2.gz KKDPYAUQAIRZPL-UHFFFAOYSA-N 2 2 285.432 0.097 20 0 CCADLP CCOCC[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000336822030 355196394 /nfs/dbraw/zinc/19/63/94/355196394.db2.gz KFLWUKJCTMDZOH-UHFFFAOYSA-N 2 2 279.388 0.701 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000558558042 291060180 /nfs/dbraw/zinc/06/01/80/291060180.db2.gz ORNDCEROQBWUIM-UHFFFAOYSA-N 2 2 264.373 0.763 20 0 CCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1cccnc1 ZINC000424336440 235197990 /nfs/dbraw/zinc/19/79/90/235197990.db2.gz QRKBRMNSIIOIRE-CHWSQXEVSA-N 2 2 262.357 0.557 20 0 CCADLP C[C@@](O)(C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)C(F)(F)F ZINC000337176771 355279015 /nfs/dbraw/zinc/27/90/15/355279015.db2.gz JNQOLBURRAVFNI-NWDGAFQWSA-N 2 2 296.333 0.954 20 0 CCADLP C[C@@](O)(C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)C(F)(F)F ZINC000337176771 355279017 /nfs/dbraw/zinc/27/90/17/355279017.db2.gz JNQOLBURRAVFNI-NWDGAFQWSA-N 2 2 296.333 0.954 20 0 CCADLP CC1(C)NC(=O)CC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000338596241 355374841 /nfs/dbraw/zinc/37/48/41/355374841.db2.gz FEVAWJJISYYATJ-NSHDSACASA-N 2 2 250.346 0.920 20 0 CCADLP CC(C[NH+]1CC[C@](F)(CO)C1)C[N@H+]1CC[C@](F)(CO)C1 ZINC000338626042 355382490 /nfs/dbraw/zinc/38/24/90/355382490.db2.gz PNKBOJYKVHXYDS-ZIAGYGMSSA-N 2 2 292.370 0.435 20 0 CCADLP C[NH+](C)CCn1ccc(=NC(=O)CCn2cc[nH+]c2)[nH]1 ZINC000338741337 355409016 /nfs/dbraw/zinc/40/90/16/355409016.db2.gz DEJYVGSSBGTSEM-UHFFFAOYSA-N 2 2 276.344 0.092 20 0 CCADLP C[C@@H](CC(=O)N[C@@H](C[NH3+])C(F)(F)F)n1cc[nH+]c1 ZINC000655519798 412610326 /nfs/dbraw/zinc/61/03/26/412610326.db2.gz XRFKAZJOTQJMCQ-YUMQZZPRSA-N 2 2 264.251 0.840 20 0 CCADLP CCn1cc(C[NH2+]Cc2c[nH+]c(N(C)C)n2C)cn1 ZINC000425340390 235287552 /nfs/dbraw/zinc/28/75/52/235287552.db2.gz DZGGSSXWYJABNK-UHFFFAOYSA-N 2 2 262.361 0.992 20 0 CCADLP COC[C@@]1(CO)CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425374268 235290542 /nfs/dbraw/zinc/29/05/42/235290542.db2.gz WOWFBTJFIMETBD-AWEZNQCLSA-N 2 2 282.388 0.317 20 0 CCADLP COC[C@@]1(CO)CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425374268 235290543 /nfs/dbraw/zinc/29/05/43/235290543.db2.gz WOWFBTJFIMETBD-AWEZNQCLSA-N 2 2 282.388 0.317 20 0 CCADLP COC(=O)CN(C)C(=O)CC[N@H+](C)CCCn1cc[nH+]c1 ZINC000341136540 355614272 /nfs/dbraw/zinc/61/42/72/355614272.db2.gz ZTWCMTPQPFCEBJ-UHFFFAOYSA-N 2 2 296.371 0.227 20 0 CCADLP COC(=O)CN(C)C(=O)CC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000341136540 355614274 /nfs/dbraw/zinc/61/42/74/355614274.db2.gz ZTWCMTPQPFCEBJ-UHFFFAOYSA-N 2 2 296.371 0.227 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCc1[nH]cc[nH+]1 ZINC000341644664 355710350 /nfs/dbraw/zinc/71/03/50/355710350.db2.gz ROMLFHFFHXVHPO-NSHDSACASA-N 2 2 266.345 0.037 20 0 CCADLP CCC(CC)[C@@H](C(=O)NC[C@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000342762051 355739780 /nfs/dbraw/zinc/73/97/80/355739780.db2.gz USDKGLFPIKZIBE-ZFWWWQNUSA-N 2 2 297.443 0.849 20 0 CCADLP Cc1c[nH+]c(CN2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)n1C ZINC000342842153 355756909 /nfs/dbraw/zinc/75/69/09/355756909.db2.gz CHDWWUDQXLJCKH-STQMWFEESA-N 2 2 266.389 0.615 20 0 CCADLP Cc1c[nH+]c(CN2CC[N@H+](C[C@H](C)O)C[C@@H]2C)n1C ZINC000342842153 355756911 /nfs/dbraw/zinc/75/69/11/355756911.db2.gz CHDWWUDQXLJCKH-STQMWFEESA-N 2 2 266.389 0.615 20 0 CCADLP CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351474133 356001499 /nfs/dbraw/zinc/00/14/99/356001499.db2.gz FLMLLIDIEIRRBH-GJZGRUSLSA-N 2 2 297.443 0.774 20 0 CCADLP CCN(CC)C(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351474133 356001503 /nfs/dbraw/zinc/00/15/03/356001503.db2.gz FLMLLIDIEIRRBH-GJZGRUSLSA-N 2 2 297.443 0.774 20 0 CCADLP CCN(CC)C(=O)[C@@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351474133 356001506 /nfs/dbraw/zinc/00/15/06/356001506.db2.gz FLMLLIDIEIRRBH-GJZGRUSLSA-N 2 2 297.443 0.774 20 0 CCADLP CCN(CC)C(=O)[C@@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351474133 356001509 /nfs/dbraw/zinc/00/15/09/356001509.db2.gz FLMLLIDIEIRRBH-GJZGRUSLSA-N 2 2 297.443 0.774 20 0 CCADLP CCCCN(CC)C(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359287653 137944857 /nfs/dbraw/zinc/94/48/57/137944857.db2.gz YNVIRBHEXITKJM-STQMWFEESA-N 2 2 253.390 0.786 20 0 CCADLP C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352703315 356059378 /nfs/dbraw/zinc/05/93/78/356059378.db2.gz BSVDTAWVEDQOJU-GWCFXTLKSA-N 2 2 285.413 0.834 20 0 CCADLP CN1CCC[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1=O ZINC000352752005 356070705 /nfs/dbraw/zinc/07/07/05/356070705.db2.gz WSLAYNQCGVGFOW-NSHDSACASA-N 2 2 282.413 0.915 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000352776484 356077742 /nfs/dbraw/zinc/07/77/42/356077742.db2.gz SWESOZKCSIWJJC-CHWSQXEVSA-N 2 2 292.383 0.597 20 0 CCADLP C[C@H](CC(N)=O)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352794127 356082150 /nfs/dbraw/zinc/08/21/50/356082150.db2.gz UVULEHDLXWTMDZ-MRVPVSSYSA-N 2 2 256.375 0.558 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000352830758 356092056 /nfs/dbraw/zinc/09/20/56/356092056.db2.gz VHHSDGSAMLVCHM-RDBSUJKOSA-N 2 2 283.416 0.506 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000353474815 356232916 /nfs/dbraw/zinc/23/29/16/356232916.db2.gz WNHWCFLOPSZGID-TUAOUCFPSA-N 2 2 250.346 0.776 20 0 CCADLP CCn1nccc1C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000353346252 356206678 /nfs/dbraw/zinc/20/66/78/356206678.db2.gz DRRHRBGYGSZWJB-UHFFFAOYSA-N 2 2 266.389 0.792 20 0 CCADLP CCn1nccc1C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000353346252 356206682 /nfs/dbraw/zinc/20/66/82/356206682.db2.gz DRRHRBGYGSZWJB-UHFFFAOYSA-N 2 2 266.389 0.792 20 0 CCADLP CN(C)c1ncc(C[N@H+](C)C2CC[NH+](CCO)CC2)cn1 ZINC000353359855 356208680 /nfs/dbraw/zinc/20/86/80/356208680.db2.gz DFSDSEWQOUVWBT-UHFFFAOYSA-N 2 2 293.415 0.431 20 0 CCADLP CN(C)c1ncc(C[N@@H+](C)C2CC[NH+](CCO)CC2)cn1 ZINC000353359855 356208687 /nfs/dbraw/zinc/20/86/87/356208687.db2.gz DFSDSEWQOUVWBT-UHFFFAOYSA-N 2 2 293.415 0.431 20 0 CCADLP C[N@H+](Cc1cnc2cnccn12)C1CC[NH+](CCO)CC1 ZINC000353360244 356209135 /nfs/dbraw/zinc/20/91/35/356209135.db2.gz GTYNPVNAKCBZKA-UHFFFAOYSA-N 2 2 289.383 0.618 20 0 CCADLP C[N@@H+](Cc1cnc2cnccn12)C1CC[NH+](CCO)CC1 ZINC000353360244 356209139 /nfs/dbraw/zinc/20/91/39/356209139.db2.gz GTYNPVNAKCBZKA-UHFFFAOYSA-N 2 2 289.383 0.618 20 0 CCADLP Cn1cccc1C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000353361059 356209301 /nfs/dbraw/zinc/20/93/01/356209301.db2.gz PNLHPHUARGYOPN-UHFFFAOYSA-N 2 2 251.374 0.914 20 0 CCADLP Cn1cccc1C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000353361059 356209303 /nfs/dbraw/zinc/20/93/03/356209303.db2.gz PNLHPHUARGYOPN-UHFFFAOYSA-N 2 2 251.374 0.914 20 0 CCADLP COC[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000353612204 356259046 /nfs/dbraw/zinc/25/90/46/356259046.db2.gz RGVYJKAJRZIUSK-OAHLLOKOSA-N 2 2 279.384 0.643 20 0 CCADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000360819178 138011854 /nfs/dbraw/zinc/01/18/54/138011854.db2.gz RUYVTWLSDROSFS-NXEZZACHSA-N 2 2 263.332 0.815 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@]2(C)CCC[NH2+]C2)C[C@H]1[NH+]1CCOCC1 ZINC000353701431 356275522 /nfs/dbraw/zinc/27/55/22/356275522.db2.gz MLHDIQJHMGOGAU-FMKPAKJESA-N 2 2 295.427 0.555 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1CNc1cc[nH+]c(C)n1 ZINC000360999733 138018575 /nfs/dbraw/zinc/01/85/75/138018575.db2.gz VXOFUEFPIFDXEC-GFCCVEGCSA-N 2 2 250.346 0.730 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1CNc1cc[nH+]c(C)n1 ZINC000360999733 138018576 /nfs/dbraw/zinc/01/85/76/138018576.db2.gz VXOFUEFPIFDXEC-GFCCVEGCSA-N 2 2 250.346 0.730 20 0 CCADLP CO[C@@H]1CC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000353849415 356305491 /nfs/dbraw/zinc/30/54/91/356305491.db2.gz YEVFBJROOZVLEO-CQSZACIVSA-N 2 2 291.399 0.449 20 0 CCADLP CO[C@@H]1CC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000353849415 356305493 /nfs/dbraw/zinc/30/54/93/356305493.db2.gz YEVFBJROOZVLEO-CQSZACIVSA-N 2 2 291.399 0.449 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000560115800 291091659 /nfs/dbraw/zinc/09/16/59/291091659.db2.gz HIXFZFXAOMBGAC-UHFFFAOYSA-N 2 2 288.355 0.952 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000354253430 356375214 /nfs/dbraw/zinc/37/52/14/356375214.db2.gz GXOLFLUUEUUUMR-SNVBAGLBSA-N 2 2 259.313 0.810 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCOCC3)C2)CC1 ZINC000362705565 138070887 /nfs/dbraw/zinc/07/08/87/138070887.db2.gz YCOKCTQNPIKNER-ZDUSSCGKSA-N 2 2 296.415 0.197 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCOCC3)C2)CC1 ZINC000362705565 138070888 /nfs/dbraw/zinc/07/08/88/138070888.db2.gz YCOKCTQNPIKNER-ZDUSSCGKSA-N 2 2 296.415 0.197 20 0 CCADLP CC(C)COC[C@H](O)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000354578220 356443681 /nfs/dbraw/zinc/44/36/81/356443681.db2.gz SKDJQLVEDIDBGA-CQSZACIVSA-N 2 2 296.415 0.561 20 0 CCADLP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC000354787148 356498892 /nfs/dbraw/zinc/49/88/92/356498892.db2.gz JIMGUBCNZQJYNE-HIFRSBDPSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC000354787148 356498893 /nfs/dbraw/zinc/49/88/93/356498893.db2.gz JIMGUBCNZQJYNE-HIFRSBDPSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CC[C@H](CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000354787148 356498896 /nfs/dbraw/zinc/49/88/96/356498896.db2.gz JIMGUBCNZQJYNE-HIFRSBDPSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CC[C@H](CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000354787148 356498898 /nfs/dbraw/zinc/49/88/98/356498898.db2.gz JIMGUBCNZQJYNE-HIFRSBDPSA-N 2 2 295.427 0.698 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCNC(=O)c2ccn[nH]2)C1 ZINC000355778160 356645679 /nfs/dbraw/zinc/64/56/79/356645679.db2.gz LZJCTXSRLYMYPP-CMPLNLGQSA-N 2 2 265.361 0.069 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCNC(=O)c2ccn[nH]2)C1 ZINC000355778160 356645684 /nfs/dbraw/zinc/64/56/84/356645684.db2.gz LZJCTXSRLYMYPP-CMPLNLGQSA-N 2 2 265.361 0.069 20 0 CCADLP O[C@@H]1CCC[C@@H]1[C@H]1COCC[N@@H+]1CCn1cc[nH+]c1 ZINC000328984303 202140398 /nfs/dbraw/zinc/14/03/98/202140398.db2.gz STOKYEXISNZFGG-MGPQQGTHSA-N 2 2 265.357 0.745 20 0 CCADLP O[C@@H]1CCC[C@@H]1[C@H]1COCC[N@H+]1CCn1cc[nH+]c1 ZINC000328984303 202140401 /nfs/dbraw/zinc/14/04/01/202140401.db2.gz STOKYEXISNZFGG-MGPQQGTHSA-N 2 2 265.357 0.745 20 0 CCADLP Cc1ccsc1CNC(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359288160 356794358 /nfs/dbraw/zinc/79/43/58/356794358.db2.gz OUMJOPSSZLXPSM-RYUDHWBXSA-N 2 2 279.409 0.824 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359289049 356795089 /nfs/dbraw/zinc/79/50/89/356795089.db2.gz PQWMGGSYAAKUAZ-YNEHKIRRSA-N 2 2 269.389 0.069 20 0 CCADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000359568120 356846920 /nfs/dbraw/zinc/84/69/20/356846920.db2.gz WFZOBWQMYBVJEC-WDEREUQCSA-N 2 2 280.372 0.901 20 0 CCADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000359568120 356846924 /nfs/dbraw/zinc/84/69/24/356846924.db2.gz WFZOBWQMYBVJEC-WDEREUQCSA-N 2 2 280.372 0.901 20 0 CCADLP CC[NH+]1CCN(CC(=O)Nc2cc[nH+]c(N(C)C)c2)CC1 ZINC000360293750 356986789 /nfs/dbraw/zinc/98/67/89/356986789.db2.gz KULZRQIVQNIXSZ-UHFFFAOYSA-N 2 2 291.399 0.724 20 0 CCADLP C[N@@H+]1CC[C@H]2OCCN(C(=O)CCc3c[nH+]c[nH]3)[C@H]2C1 ZINC000329156488 202208458 /nfs/dbraw/zinc/20/84/58/202208458.db2.gz BYJBNYPIUPMGCG-QWHCGFSZSA-N 2 2 278.356 0.274 20 0 CCADLP C[N@H+]1CC[C@H]2OCCN(C(=O)CCc3c[nH+]c[nH]3)[C@H]2C1 ZINC000329156488 202208460 /nfs/dbraw/zinc/20/84/60/202208460.db2.gz BYJBNYPIUPMGCG-QWHCGFSZSA-N 2 2 278.356 0.274 20 0 CCADLP C[N@@H+]1CC[C@H]2OCCN(C(=O)CCc3c[nH]c[nH+]3)[C@H]2C1 ZINC000329156488 202208463 /nfs/dbraw/zinc/20/84/63/202208463.db2.gz BYJBNYPIUPMGCG-QWHCGFSZSA-N 2 2 278.356 0.274 20 0 CCADLP C[N@H+]1CC[C@H]2OCCN(C(=O)CCc3c[nH]c[nH+]3)[C@H]2C1 ZINC000329156488 202208467 /nfs/dbraw/zinc/20/84/67/202208467.db2.gz BYJBNYPIUPMGCG-QWHCGFSZSA-N 2 2 278.356 0.274 20 0 CCADLP Cn1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cn1 ZINC000655698570 412648254 /nfs/dbraw/zinc/64/82/54/412648254.db2.gz LRDDNGHFROVDDR-CQSZACIVSA-N 2 2 264.373 0.763 20 0 CCADLP COCC[N@@H+]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000364503014 357114539 /nfs/dbraw/zinc/11/45/39/357114539.db2.gz WWGNVDCDKGHYMK-UHFFFAOYSA-N 2 2 280.372 0.454 20 0 CCADLP COCC[N@H+]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000364503014 357114542 /nfs/dbraw/zinc/11/45/42/357114542.db2.gz WWGNVDCDKGHYMK-UHFFFAOYSA-N 2 2 280.372 0.454 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC([NH2+][C@@H]2CCSC2)CC1 ZINC000364338080 357110311 /nfs/dbraw/zinc/11/03/11/357110311.db2.gz KSGHRXOBLZSRLV-OAHLLOKOSA-N 2 2 299.484 0.878 20 0 CCADLP C(C[NH+]1CCC([NH2+][C@@H]2CCSC2)CC1)N1CCOCC1 ZINC000364338080 357110312 /nfs/dbraw/zinc/11/03/12/357110312.db2.gz KSGHRXOBLZSRLV-OAHLLOKOSA-N 2 2 299.484 0.878 20 0 CCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[NH+](C2CC2)CC1 ZINC000364378667 357113154 /nfs/dbraw/zinc/11/31/54/357113154.db2.gz AZLKREQMUAWAOB-GFCCVEGCSA-N 2 2 274.368 0.752 20 0 CCADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@H](O)CO ZINC000364055967 357081852 /nfs/dbraw/zinc/08/18/52/357081852.db2.gz OCININYPUPMASA-SNPRPXQTSA-N 2 2 264.369 0.450 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@H](O)CO ZINC000364055967 357081855 /nfs/dbraw/zinc/08/18/55/357081855.db2.gz OCININYPUPMASA-SNPRPXQTSA-N 2 2 264.369 0.450 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)COCC3CC3)C2)CC1 ZINC000364208815 357096280 /nfs/dbraw/zinc/09/62/80/357096280.db2.gz TWDCHMOBGJQHDF-AWEZNQCLSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)COCC3CC3)C2)CC1 ZINC000364208815 357096282 /nfs/dbraw/zinc/09/62/82/357096282.db2.gz TWDCHMOBGJQHDF-AWEZNQCLSA-N 2 2 295.427 0.698 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000364586657 357123128 /nfs/dbraw/zinc/12/31/28/357123128.db2.gz MLRJLSWAMSHPAW-DOMZBBRYSA-N 2 2 274.368 0.763 20 0 CCADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1CN(C)CCO1 ZINC000655734259 412652080 /nfs/dbraw/zinc/65/20/80/412652080.db2.gz DCUTYCKNZQVTQI-BPUTZDHNSA-N 2 2 297.443 0.548 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366494211 357219864 /nfs/dbraw/zinc/21/98/64/357219864.db2.gz BRQGOFPBYWWPMS-XHDPSFHLSA-N 2 2 294.399 0.391 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366494211 357219867 /nfs/dbraw/zinc/21/98/67/357219867.db2.gz BRQGOFPBYWWPMS-XHDPSFHLSA-N 2 2 294.399 0.391 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366494211 357219869 /nfs/dbraw/zinc/21/98/69/357219869.db2.gz BRQGOFPBYWWPMS-XHDPSFHLSA-N 2 2 294.399 0.391 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366494211 357219872 /nfs/dbraw/zinc/21/98/72/357219872.db2.gz BRQGOFPBYWWPMS-XHDPSFHLSA-N 2 2 294.399 0.391 20 0 CCADLP CC(C)N1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1=O ZINC000655729607 412652201 /nfs/dbraw/zinc/65/22/01/412652201.db2.gz LRWPXFKOTHSTFM-HUUCEWRRSA-N 2 2 295.427 0.839 20 0 CCADLP NC(=O)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655728898 412653087 /nfs/dbraw/zinc/65/30/87/412653087.db2.gz ZXBBMBNZUYUVNL-YUELXQCFSA-N 2 2 295.427 0.873 20 0 CCADLP CN1C[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCC1=O ZINC000655723931 412653183 /nfs/dbraw/zinc/65/31/83/412653183.db2.gz JNPGHVZBPMQIJJ-KBPBESRZSA-N 2 2 281.400 0.450 20 0 CCADLP O=C(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)NCC1CC1 ZINC000655753145 412654646 /nfs/dbraw/zinc/65/46/46/412654646.db2.gz WKQBRMSZNNNDQL-CQSZACIVSA-N 2 2 281.400 0.356 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655754780 412654162 /nfs/dbraw/zinc/65/41/62/412654162.db2.gz HHHSCNJBRXHEKU-HOTGVXAUSA-N 3 2 297.443 0.286 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655754780 412654164 /nfs/dbraw/zinc/65/41/64/412654164.db2.gz HHHSCNJBRXHEKU-HOTGVXAUSA-N 3 2 297.443 0.286 20 0 CCADLP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1nnnn1C ZINC000344151749 283259634 /nfs/dbraw/zinc/25/96/34/283259634.db2.gz HDGAQIOCWINGES-UHFFFAOYSA-N 2 2 295.435 0.060 20 0 CCADLP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1nnnn1C ZINC000344151749 283259636 /nfs/dbraw/zinc/25/96/36/283259636.db2.gz HDGAQIOCWINGES-UHFFFAOYSA-N 2 2 295.435 0.060 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(F)F)C2)CC1 ZINC000376476341 357471226 /nfs/dbraw/zinc/47/12/26/357471226.db2.gz HEUINZDOJYCSCY-VIFPVBQESA-N 2 2 261.316 0.536 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(F)F)C2)CC1 ZINC000376476341 357471227 /nfs/dbraw/zinc/47/12/27/357471227.db2.gz HEUINZDOJYCSCY-VIFPVBQESA-N 2 2 261.316 0.536 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(C)(F)F)C2)CC1 ZINC000377411222 357572306 /nfs/dbraw/zinc/57/23/06/357572306.db2.gz ZEZPNWFTHKRNHP-SNVBAGLBSA-N 2 2 275.343 0.926 20 0 CCADLP CN(Cc1cnn(C)n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377827606 357620924 /nfs/dbraw/zinc/62/09/24/357620924.db2.gz YGDZWSDNUTYPHS-OAHLLOKOSA-N 2 2 292.431 0.415 20 0 CCADLP CN(Cc1cnn(C)n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377827606 357620929 /nfs/dbraw/zinc/62/09/29/357620929.db2.gz YGDZWSDNUTYPHS-OAHLLOKOSA-N 2 2 292.431 0.415 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)[C@H](C)O1 ZINC000449384534 236031126 /nfs/dbraw/zinc/03/11/26/236031126.db2.gz BPUWSTMVRIQHPI-RQJABVFESA-N 2 2 256.390 0.989 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)[C@H](C)O1 ZINC000449384534 236031128 /nfs/dbraw/zinc/03/11/28/236031128.db2.gz BPUWSTMVRIQHPI-RQJABVFESA-N 2 2 256.390 0.989 20 0 CCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCC[NH+]3CCOCC3)[C@@H]2C1 ZINC000378498797 357686046 /nfs/dbraw/zinc/68/60/46/357686046.db2.gz TXNOWBMQPNJUGF-ZIAGYGMSSA-N 2 2 296.415 0.054 20 0 CCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)NCC[NH+]3CCOCC3)[C@@H]2C1 ZINC000378498797 357686050 /nfs/dbraw/zinc/68/60/50/357686050.db2.gz TXNOWBMQPNJUGF-ZIAGYGMSSA-N 2 2 296.415 0.054 20 0 CCADLP CC[N@@H+](Cc1ccncc1)C[C@H](O)C[NH+](C)CCOC ZINC000380554598 357704467 /nfs/dbraw/zinc/70/44/67/357704467.db2.gz PXRKQKMFDMWQDQ-OAHLLOKOSA-N 2 2 281.400 0.843 20 0 CCADLP CC[N@H+](Cc1ccncc1)C[C@H](O)C[NH+](C)CCOC ZINC000380554598 357704470 /nfs/dbraw/zinc/70/44/70/357704470.db2.gz PXRKQKMFDMWQDQ-OAHLLOKOSA-N 2 2 281.400 0.843 20 0 CCADLP CC[NH+](Cc1ccncc1)C[C@H](O)C[N@H+](C)CCOC ZINC000380554598 357704473 /nfs/dbraw/zinc/70/44/73/357704473.db2.gz PXRKQKMFDMWQDQ-OAHLLOKOSA-N 2 2 281.400 0.843 20 0 CCADLP CC[NH+](Cc1ccncc1)C[C@H](O)C[N@@H+](C)CCOC ZINC000380554598 357704475 /nfs/dbraw/zinc/70/44/75/357704475.db2.gz PXRKQKMFDMWQDQ-OAHLLOKOSA-N 2 2 281.400 0.843 20 0 CCADLP COC(=O)C[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000380538894 357704637 /nfs/dbraw/zinc/70/46/37/357704637.db2.gz MTLUDQILFHBNTD-KBPBESRZSA-N 2 2 284.400 0.859 20 0 CCADLP COC(=O)C[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000380538894 357704641 /nfs/dbraw/zinc/70/46/41/357704641.db2.gz MTLUDQILFHBNTD-KBPBESRZSA-N 2 2 284.400 0.859 20 0 CCADLP COC(=O)C[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000380538894 357704644 /nfs/dbraw/zinc/70/46/44/357704644.db2.gz MTLUDQILFHBNTD-KBPBESRZSA-N 2 2 284.400 0.859 20 0 CCADLP COC(=O)C[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000380538894 357704646 /nfs/dbraw/zinc/70/46/46/357704646.db2.gz MTLUDQILFHBNTD-KBPBESRZSA-N 2 2 284.400 0.859 20 0 CCADLP C[C@@H]1[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCS1(=O)=O ZINC000380933236 357706396 /nfs/dbraw/zinc/70/63/96/357706396.db2.gz IOJFLZSKOAANFM-YVECIDJPSA-N 2 2 272.414 0.778 20 0 CCADLP C[C@@H]1[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCS1(=O)=O ZINC000380933236 357706399 /nfs/dbraw/zinc/70/63/99/357706399.db2.gz IOJFLZSKOAANFM-YVECIDJPSA-N 2 2 272.414 0.778 20 0 CCADLP CO[C@@H]1COC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655779142 412660379 /nfs/dbraw/zinc/66/03/79/412660379.db2.gz CYHVINMKNOWIQW-MGPQQGTHSA-N 2 2 270.373 0.243 20 0 CCADLP CS(=O)(=O)N1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000400275130 357792454 /nfs/dbraw/zinc/79/24/54/357792454.db2.gz YNNJKHMFQNJAGG-ZLKJLUDKSA-N 2 2 295.408 0.755 20 0 CCADLP Cc1nc(NC[C@H]2CCCC[N@@H+]2CCO)cc[nH+]1 ZINC000450618500 236101542 /nfs/dbraw/zinc/10/15/42/236101542.db2.gz SQHGUFZERLZFGR-GFCCVEGCSA-N 2 2 250.346 0.466 20 0 CCADLP Cc1nc(NC[C@H]2CCCC[N@H+]2CCO)cc[nH+]1 ZINC000450618500 236101545 /nfs/dbraw/zinc/10/15/45/236101545.db2.gz SQHGUFZERLZFGR-GFCCVEGCSA-N 2 2 250.346 0.466 20 0 CCADLP CNC(=O)NC(=O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000407980922 357849867 /nfs/dbraw/zinc/84/98/67/357849867.db2.gz PKGIKEITSPDATR-UHFFFAOYSA-N 2 2 270.377 0.247 20 0 CCADLP CNC(=O)NC(=O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000407980922 357849869 /nfs/dbraw/zinc/84/98/69/357849869.db2.gz PKGIKEITSPDATR-UHFFFAOYSA-N 2 2 270.377 0.247 20 0 CCADLP C[NH+]1CCN(c2ncc(C[NH+]3CCC(O)CC3)cn2)CC1 ZINC000408062789 357896759 /nfs/dbraw/zinc/89/67/59/357896759.db2.gz RFAIXKKXQZPIDO-UHFFFAOYSA-N 2 2 291.399 0.185 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000561203793 291120865 /nfs/dbraw/zinc/12/08/65/291120865.db2.gz YKOQCLRKJFWSLP-MGPQQGTHSA-N 2 2 281.400 0.260 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000561203793 291120869 /nfs/dbraw/zinc/12/08/69/291120869.db2.gz YKOQCLRKJFWSLP-MGPQQGTHSA-N 2 2 281.400 0.260 20 0 CCADLP COCCC[N@H+](C)CC[NH2+][C@@H](C)Cc1cnccn1 ZINC000453126695 236273719 /nfs/dbraw/zinc/27/37/19/236273719.db2.gz YHIKYULQOANXLX-ZDUSSCGKSA-N 2 2 266.389 0.966 20 0 CCADLP COCCC[N@@H+](C)CC[NH2+][C@@H](C)Cc1cnccn1 ZINC000453126695 236273722 /nfs/dbraw/zinc/27/37/22/236273722.db2.gz YHIKYULQOANXLX-ZDUSSCGKSA-N 2 2 266.389 0.966 20 0 CCADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)[C@H]1CCCO1 ZINC000453258608 236274143 /nfs/dbraw/zinc/27/41/43/236274143.db2.gz HYUQFWSMDCSJNU-BFHYXJOUSA-N 2 2 256.390 0.990 20 0 CCADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)[C@H]1CCCO1 ZINC000453258608 236274146 /nfs/dbraw/zinc/27/41/46/236274146.db2.gz HYUQFWSMDCSJNU-BFHYXJOUSA-N 2 2 256.390 0.990 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000455031135 236320490 /nfs/dbraw/zinc/32/04/90/236320490.db2.gz GDYOQXNWTHBAEJ-ZDUSSCGKSA-N 2 2 292.383 0.780 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000455031135 236320491 /nfs/dbraw/zinc/32/04/91/236320491.db2.gz GDYOQXNWTHBAEJ-ZDUSSCGKSA-N 2 2 292.383 0.780 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1)[NH+](C)C ZINC000412368074 358118405 /nfs/dbraw/zinc/11/84/05/358118405.db2.gz MSNUQEDBCHEJSK-STQMWFEESA-N 2 2 299.415 0.328 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)OC)C1)[NH+](C)C ZINC000412368074 358118409 /nfs/dbraw/zinc/11/84/09/358118409.db2.gz MSNUQEDBCHEJSK-STQMWFEESA-N 2 2 299.415 0.328 20 0 CCADLP C[NH2+]C[C@H]1CCCN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000416810795 358128555 /nfs/dbraw/zinc/12/85/55/358128555.db2.gz BZHFNXJWQAHQAV-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CNC(=O)C[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000341886479 283335421 /nfs/dbraw/zinc/33/54/21/283335421.db2.gz JRVMOXWJAIHLNV-STQMWFEESA-N 2 2 298.431 0.043 20 0 CCADLP CNC(=O)C[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000341886479 283335422 /nfs/dbraw/zinc/33/54/22/283335422.db2.gz JRVMOXWJAIHLNV-STQMWFEESA-N 2 2 298.431 0.043 20 0 CCADLP CNC(=O)Cc1nc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cs1 ZINC000442785175 283340336 /nfs/dbraw/zinc/34/03/36/283340336.db2.gz XGHKMNJJINQRNL-UWVGGRQHSA-N 2 2 282.413 0.601 20 0 CCADLP CNC(=O)Cc1nc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cs1 ZINC000442785175 283340337 /nfs/dbraw/zinc/34/03/37/283340337.db2.gz XGHKMNJJINQRNL-UWVGGRQHSA-N 2 2 282.413 0.601 20 0 CCADLP C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000561982676 291136771 /nfs/dbraw/zinc/13/67/71/291136771.db2.gz KGFYBIKGJGFUCE-SMDDNHRTSA-N 2 2 286.441 0.884 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000423395977 358199682 /nfs/dbraw/zinc/19/96/82/358199682.db2.gz SBJCLGSKTDOZQC-QWHCGFSZSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000423395977 358199685 /nfs/dbraw/zinc/19/96/85/358199685.db2.gz SBJCLGSKTDOZQC-QWHCGFSZSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@H]1CC[NH2+][C@H](C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000423389202 358200117 /nfs/dbraw/zinc/20/01/17/358200117.db2.gz OCCHBVWNRNAASG-STQMWFEESA-N 2 2 283.416 0.602 20 0 CCADLP C[C@H]1CC[NH2+][C@H](C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000423389202 358200121 /nfs/dbraw/zinc/20/01/21/358200121.db2.gz OCCHBVWNRNAASG-STQMWFEESA-N 2 2 283.416 0.602 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000493937724 358311514 /nfs/dbraw/zinc/31/15/14/358311514.db2.gz SMGCLYRMYITEOS-IUCAKERBSA-N 2 2 283.376 0.466 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]CCN1CCOCC1(C)C)C1CC1 ZINC000517024843 358341040 /nfs/dbraw/zinc/34/10/40/358341040.db2.gz HZACLIGDMNSIBH-CQSZACIVSA-N 2 2 285.432 0.142 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]CCN1CCOCC1(C)C)C1CC1 ZINC000517024843 358341046 /nfs/dbraw/zinc/34/10/46/358341046.db2.gz HZACLIGDMNSIBH-CQSZACIVSA-N 2 2 285.432 0.142 20 0 CCADLP COc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1F ZINC000565586421 358563322 /nfs/dbraw/zinc/56/33/22/358563322.db2.gz WDQGWTWPOPIELV-LLVKDONJSA-N 2 2 296.346 0.941 20 0 CCADLP COc1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1F ZINC000565586421 358563324 /nfs/dbraw/zinc/56/33/24/358563324.db2.gz WDQGWTWPOPIELV-LLVKDONJSA-N 2 2 296.346 0.941 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000567864941 358602622 /nfs/dbraw/zinc/60/26/22/358602622.db2.gz DYZGOIUTWMCNOO-BXUZGUMPSA-N 2 2 287.363 0.870 20 0 CCADLP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567889592 358606933 /nfs/dbraw/zinc/60/69/33/358606933.db2.gz BJJPAMYOKUCHRE-HNNXBMFYSA-N 2 2 265.401 0.930 20 0 CCADLP CN(CC1CC1)C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567889592 358606934 /nfs/dbraw/zinc/60/69/34/358606934.db2.gz BJJPAMYOKUCHRE-HNNXBMFYSA-N 2 2 265.401 0.930 20 0 CCADLP [NH3+]CC[C@H](NC(=O)Cc1cn2ccccc2[nH+]1)C(F)F ZINC000568094337 358632831 /nfs/dbraw/zinc/63/28/31/358632831.db2.gz COJGDNUDKDKSET-JTQLQIEISA-N 2 2 282.294 0.976 20 0 CCADLP CCN(C)C(=O)[C@@H]([NH2+]C[C@H](O)C[N@H+](C)CC)C(C)C ZINC000568177922 358641977 /nfs/dbraw/zinc/64/19/77/358641977.db2.gz CJCOLXQHJVNEHG-STQMWFEESA-N 2 2 273.421 0.392 20 0 CCADLP CCN(C)C(=O)[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)C(C)C ZINC000568177922 358641978 /nfs/dbraw/zinc/64/19/78/358641978.db2.gz CJCOLXQHJVNEHG-STQMWFEESA-N 2 2 273.421 0.392 20 0 CCADLP C[C@@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CC(=O)N1 ZINC000568245411 358655692 /nfs/dbraw/zinc/65/56/92/358655692.db2.gz MWEUPLUBCAXWMV-LLVKDONJSA-N 2 2 259.353 0.653 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CC(=O)N1 ZINC000568245411 358655697 /nfs/dbraw/zinc/65/56/97/358655697.db2.gz MWEUPLUBCAXWMV-LLVKDONJSA-N 2 2 259.353 0.653 20 0 CCADLP CNC(=O)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000568243149 358655749 /nfs/dbraw/zinc/65/57/49/358655749.db2.gz MCQNXEISKKISEX-UHFFFAOYSA-N 2 2 262.357 0.382 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)Cn1cccn1 ZINC000569333758 358753603 /nfs/dbraw/zinc/75/36/03/358753603.db2.gz TYLYQGMBGFVCTR-GHMZBOCLSA-N 2 2 261.329 0.114 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)Cn1cccn1 ZINC000569333758 358753605 /nfs/dbraw/zinc/75/36/05/358753605.db2.gz TYLYQGMBGFVCTR-GHMZBOCLSA-N 2 2 261.329 0.114 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](c3cccnc3)C2)CC1 ZINC000568877427 358713224 /nfs/dbraw/zinc/71/32/24/358713224.db2.gz FTGVDGNZQWBEFV-HNNXBMFYSA-N 2 2 288.395 0.645 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](c3cccnc3)C2)CC1 ZINC000568877427 358713227 /nfs/dbraw/zinc/71/32/27/358713227.db2.gz FTGVDGNZQWBEFV-HNNXBMFYSA-N 2 2 288.395 0.645 20 0 CCADLP Cc1cc(N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)nc(C)[nH+]1 ZINC000569075511 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WOKVWYBKYHMDDI-OLZOCXBDSA-N 2 2 253.390 0.929 20 0 CCADLP CCN(CC)C(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631890946 370740290 /nfs/dbraw/zinc/74/02/90/370740290.db2.gz WOKVWYBKYHMDDI-OLZOCXBDSA-N 2 2 253.390 0.929 20 0 CCADLP C[NH+](C)C1(CS(=O)(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000631930281 370764572 /nfs/dbraw/zinc/76/45/72/370764572.db2.gz CKRWMNIJMQFWMV-TXEJJXNPSA-N 2 2 287.429 0.237 20 0 CCADLP CN(C(=O)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)C1CCCCC1 ZINC000564847531 291306917 /nfs/dbraw/zinc/30/69/17/291306917.db2.gz DNQQOHUZUSAANK-HNNXBMFYSA-N 2 2 297.443 0.822 20 0 CCADLP CN(C(=O)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C1CCCCC1 ZINC000564847531 291306918 /nfs/dbraw/zinc/30/69/18/291306918.db2.gz DNQQOHUZUSAANK-HNNXBMFYSA-N 2 2 297.443 0.822 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000613654653 364327921 /nfs/dbraw/zinc/32/79/21/364327921.db2.gz DCFFCAZJWMBRMS-VXGBXAGGSA-N 2 2 262.357 0.732 20 0 CCADLP Cc1c[nH+]ccc1CC[N@@H+](C)CC(C)(CO)CO ZINC000564898550 291312260 /nfs/dbraw/zinc/31/22/60/291312260.db2.gz PPMGXNHNJJKKTN-UHFFFAOYSA-N 2 2 252.358 0.855 20 0 CCADLP Cc1c[nH+]ccc1CC[N@H+](C)CC(C)(CO)CO ZINC000564898550 291312262 /nfs/dbraw/zinc/31/22/62/291312262.db2.gz PPMGXNHNJJKKTN-UHFFFAOYSA-N 2 2 252.358 0.855 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C2([NH+](C)C)CC2)C[C@H](C)O1 ZINC000614173278 364520578 /nfs/dbraw/zinc/52/05/78/364520578.db2.gz HZXIBTBHDCPERZ-BETUJISGSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C2([NH+](C)C)CC2)C[C@H](C)O1 ZINC000614173278 364520584 /nfs/dbraw/zinc/52/05/84/364520584.db2.gz HZXIBTBHDCPERZ-BETUJISGSA-N 2 2 283.416 0.648 20 0 CCADLP CCn1nccc1CC[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000621775307 366863725 /nfs/dbraw/zinc/86/37/25/366863725.db2.gz LKKAJJGCZRKFTC-DGCLKSJQSA-N 2 2 252.362 0.494 20 0 CCADLP CCn1nccc1CC[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000621775307 366863729 /nfs/dbraw/zinc/86/37/29/366863729.db2.gz LKKAJJGCZRKFTC-DGCLKSJQSA-N 2 2 252.362 0.494 20 0 CCADLP CN(CCCNC(=O)C1([NH+](C)C)CC1)CC[NH+](C)C ZINC000614937618 364790330 /nfs/dbraw/zinc/79/03/30/364790330.db2.gz LHSZGNTXXAWUDT-UHFFFAOYSA-N 2 2 270.421 0.080 20 0 CCADLP [NH3+]C1(c2noc(C[NH2+]C[C@@H]3CCCO3)n2)CCC1 ZINC000564959713 291326917 /nfs/dbraw/zinc/32/69/17/291326917.db2.gz SFQCNGDRRMAEOD-VIFPVBQESA-N 2 2 252.318 0.676 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000615268464 364900270 /nfs/dbraw/zinc/90/02/70/364900270.db2.gz HJVWKGNJRZRDEU-UONOGXRCSA-N 2 2 292.383 0.582 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000615268464 364900271 /nfs/dbraw/zinc/90/02/71/364900271.db2.gz HJVWKGNJRZRDEU-UONOGXRCSA-N 2 2 292.383 0.582 20 0 CCADLP CC[C@@H](C(=O)N1CC(C[NH+](C)C)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000615507069 364987974 /nfs/dbraw/zinc/98/79/74/364987974.db2.gz XLCNLWJECWWKTL-CABCVRRESA-N 2 2 297.443 0.896 20 0 CCADLP CC[C@@H](C(=O)N1CC(C[NH+](C)C)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000615507069 364987979 /nfs/dbraw/zinc/98/79/79/364987979.db2.gz XLCNLWJECWWKTL-CABCVRRESA-N 2 2 297.443 0.896 20 0 CCADLP C[C@H](CC(=O)N1CC(C[NH+](C)C)C1)n1cc[nH+]c1 ZINC000615502832 364984767 /nfs/dbraw/zinc/98/47/67/364984767.db2.gz QWAOULKOQJEFHS-LLVKDONJSA-N 2 2 250.346 0.854 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615537480 364996402 /nfs/dbraw/zinc/99/64/02/364996402.db2.gz MRAQSIMVQZOAGN-ZDUSSCGKSA-N 2 2 292.383 0.286 20 0 CCADLP C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC000615604216 365018387 /nfs/dbraw/zinc/01/83/87/365018387.db2.gz RRPOTWXPHJZYQX-AWEZNQCLSA-N 2 2 262.357 0.827 20 0 CCADLP C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC000615604216 365018390 /nfs/dbraw/zinc/01/83/90/365018390.db2.gz RRPOTWXPHJZYQX-AWEZNQCLSA-N 2 2 262.357 0.827 20 0 CCADLP C[C@@H](CC(=O)NCCc1c[nH+]cn1C)n1cc[nH+]c1 ZINC000565079833 291343447 /nfs/dbraw/zinc/34/34/47/291343447.db2.gz UYDAQRUPFYVXDH-NSHDSACASA-N 2 2 261.329 0.927 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000565163927 291350345 /nfs/dbraw/zinc/35/03/45/291350345.db2.gz MWENOWQLGLSSSI-LBPRGKRZSA-N 2 2 271.386 0.472 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000565163927 291350347 /nfs/dbraw/zinc/35/03/47/291350347.db2.gz MWENOWQLGLSSSI-LBPRGKRZSA-N 2 2 271.386 0.472 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000565166755 291350935 /nfs/dbraw/zinc/35/09/35/291350935.db2.gz UQDZRCHHTFNCDD-ZNMIVQPWSA-N 2 2 286.416 0.569 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000565166755 291350936 /nfs/dbraw/zinc/35/09/36/291350936.db2.gz UQDZRCHHTFNCDD-ZNMIVQPWSA-N 2 2 286.416 0.569 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000565166755 291350937 /nfs/dbraw/zinc/35/09/37/291350937.db2.gz UQDZRCHHTFNCDD-ZNMIVQPWSA-N 2 2 286.416 0.569 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000565166755 291350938 /nfs/dbraw/zinc/35/09/38/291350938.db2.gz UQDZRCHHTFNCDD-ZNMIVQPWSA-N 2 2 286.416 0.569 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@H+](C)C1CC1 ZINC000565181488 291353212 /nfs/dbraw/zinc/35/32/12/291353212.db2.gz ONVVFMQUDMHBFG-JTQLQIEISA-N 2 2 250.346 0.799 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@@H+](C)C1CC1 ZINC000565181488 291353214 /nfs/dbraw/zinc/35/32/14/291353214.db2.gz ONVVFMQUDMHBFG-JTQLQIEISA-N 2 2 250.346 0.799 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@H+](C)C1CC1 ZINC000565181488 291353215 /nfs/dbraw/zinc/35/32/15/291353215.db2.gz ONVVFMQUDMHBFG-JTQLQIEISA-N 2 2 250.346 0.799 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@@H+](C)C1CC1 ZINC000565181488 291353216 /nfs/dbraw/zinc/35/32/16/291353216.db2.gz ONVVFMQUDMHBFG-JTQLQIEISA-N 2 2 250.346 0.799 20 0 CCADLP CC[C@@H](C(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO)[NH+](C)C ZINC000616866491 365463766 /nfs/dbraw/zinc/46/37/66/365463766.db2.gz CHQDBHJRXUJTQH-NWDGAFQWSA-N 2 2 296.415 0.936 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)CC[NH+]1CCOCC1 ZINC000359261053 144207203 /nfs/dbraw/zinc/20/72/03/144207203.db2.gz JHPIVZRVUIKOQT-UHFFFAOYSA-N 2 2 257.378 0.119 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)CC[NH+]1CCOCC1 ZINC000359261053 144207204 /nfs/dbraw/zinc/20/72/04/144207204.db2.gz JHPIVZRVUIKOQT-UHFFFAOYSA-N 2 2 257.378 0.119 20 0 CCADLP C[C@@H](NC(=O)N[C@@H](C)[C@H](C)[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000417521703 296085322 /nfs/dbraw/zinc/08/53/22/296085322.db2.gz POYPRAQVMNAIFW-YFKTTZPYSA-N 2 2 272.393 0.131 20 0 CCADLP C[NH+](C)CC[C@](C)(O)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000621959683 366949674 /nfs/dbraw/zinc/94/96/74/366949674.db2.gz CBJGTICIESVYJR-DOMZBBRYSA-N 2 2 294.399 0.264 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000565253175 291367459 /nfs/dbraw/zinc/36/74/59/291367459.db2.gz GVORNEAFKKXXFN-NWDGAFQWSA-N 2 2 263.345 0.419 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623180104 367467618 /nfs/dbraw/zinc/46/76/18/367467618.db2.gz RTHXDEUIDREPJW-AXFHLTTASA-N 2 2 250.346 0.688 20 0 CCADLP C[NH2+]CCOCCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623180377 367469128 /nfs/dbraw/zinc/46/91/28/367469128.db2.gz AZNNYUGDUUBKIF-GFCCVEGCSA-N 2 2 280.372 0.140 20 0 CCADLP [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC000623180624 367469185 /nfs/dbraw/zinc/46/91/85/367469185.db2.gz QYRPKAAXFUAAKX-JMSVASOKSA-N 2 2 274.368 0.785 20 0 CCADLP O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000623260054 367497862 /nfs/dbraw/zinc/49/78/62/367497862.db2.gz SRQORKVPRXDEQZ-GXFFZTMASA-N 2 2 260.341 0.551 20 0 CCADLP O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@H]1CCC[N@H+]1C1CC1 ZINC000623260054 367497865 /nfs/dbraw/zinc/49/78/65/367497865.db2.gz SRQORKVPRXDEQZ-GXFFZTMASA-N 2 2 260.341 0.551 20 0 CCADLP C[N@@H+]1CCN(C(=O)N2CCc3ccccc3C2)[C@@H](C[NH3+])C1 ZINC000623067104 367435022 /nfs/dbraw/zinc/43/50/22/367435022.db2.gz ZHCBOKAUAJDRFT-HNNXBMFYSA-N 2 2 288.395 0.739 20 0 CCADLP C[N@H+]1CCN(C(=O)N2CCc3ccccc3C2)[C@@H](C[NH3+])C1 ZINC000623067104 367435030 /nfs/dbraw/zinc/43/50/30/367435030.db2.gz ZHCBOKAUAJDRFT-HNNXBMFYSA-N 2 2 288.395 0.739 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000623167504 367463109 /nfs/dbraw/zinc/46/31/09/367463109.db2.gz SUOSLODMQMBZOC-SNVBAGLBSA-N 2 2 292.339 0.239 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000623167504 367463112 /nfs/dbraw/zinc/46/31/12/367463112.db2.gz SUOSLODMQMBZOC-SNVBAGLBSA-N 2 2 292.339 0.239 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCCC[NH+]1CCOCC1 ZINC000623367012 367547710 /nfs/dbraw/zinc/54/77/10/367547710.db2.gz SOKAXZOSSOZCOC-UHFFFAOYSA-N 2 2 266.345 0.030 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000574158972 334996906 /nfs/dbraw/zinc/99/69/06/334996906.db2.gz XCGJEFWOPXRYDQ-GHMZBOCLSA-N 2 2 286.338 0.982 20 0 CCADLP C[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1COCC[NH+]1C ZINC000623461258 367567615 /nfs/dbraw/zinc/56/76/15/367567615.db2.gz DVBFAFGYIXRTDC-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H]1COCC[NH+]1C ZINC000623461258 367567617 /nfs/dbraw/zinc/56/76/17/367567617.db2.gz DVBFAFGYIXRTDC-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H]1CCCC[NH+]1CCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623461258 367567619 /nfs/dbraw/zinc/56/76/19/367567619.db2.gz DVBFAFGYIXRTDC-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H]1CCCC[NH+]1CCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623461258 367567622 /nfs/dbraw/zinc/56/76/22/367567622.db2.gz DVBFAFGYIXRTDC-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CCn1nnc(C)c1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000623619832 367606717 /nfs/dbraw/zinc/60/67/17/367606717.db2.gz ZJJOGMYXRWRDFG-LBPRGKRZSA-N 2 2 294.403 0.036 20 0 CCADLP CCn1nnc(C)c1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000623619832 367606725 /nfs/dbraw/zinc/60/67/25/367606725.db2.gz ZJJOGMYXRWRDFG-LBPRGKRZSA-N 2 2 294.403 0.036 20 0 CCADLP CN1CCOC[C@@H]1C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000623712132 367628752 /nfs/dbraw/zinc/62/87/52/367628752.db2.gz YRBSFPKPLHYFKN-ZDUSSCGKSA-N 2 2 260.341 0.755 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2COCC[NH+]2C)CC[N@@H+]1C ZINC000623727377 367638708 /nfs/dbraw/zinc/63/87/08/367638708.db2.gz WSPONWRMJKQZRS-FRRDWIJNSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2COCC[NH+]2C)CC[N@H+]1C ZINC000623727377 367638711 /nfs/dbraw/zinc/63/87/11/367638711.db2.gz WSPONWRMJKQZRS-FRRDWIJNSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2COCC[N@@H+]2C)CC[NH+]1C ZINC000623727377 367638716 /nfs/dbraw/zinc/63/87/16/367638716.db2.gz WSPONWRMJKQZRS-FRRDWIJNSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2COCC[N@H+]2C)CC[NH+]1C ZINC000623727377 367638721 /nfs/dbraw/zinc/63/87/21/367638721.db2.gz WSPONWRMJKQZRS-FRRDWIJNSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC[C@H]1COCC[NH+]1C ZINC000623749040 367644050 /nfs/dbraw/zinc/64/40/50/367644050.db2.gz SCKQZINHDAZTGH-KWCYVHTRSA-N 2 2 296.415 0.099 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC[C@H]1COCC[NH+]1C ZINC000623749040 367644054 /nfs/dbraw/zinc/64/40/54/367644054.db2.gz SCKQZINHDAZTGH-KWCYVHTRSA-N 2 2 296.415 0.099 20 0 CCADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623749040 367644060 /nfs/dbraw/zinc/64/40/60/367644060.db2.gz SCKQZINHDAZTGH-KWCYVHTRSA-N 2 2 296.415 0.099 20 0 CCADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623749040 367644067 /nfs/dbraw/zinc/64/40/67/367644067.db2.gz SCKQZINHDAZTGH-KWCYVHTRSA-N 2 2 296.415 0.099 20 0 CCADLP CN(C)c1ccccc1C[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000623758296 367646480 /nfs/dbraw/zinc/64/64/80/367646480.db2.gz WGHIGMWPPPXQGW-CQSZACIVSA-N 2 2 263.385 0.909 20 0 CCADLP CN(C)c1ccccc1C[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000623758296 367646492 /nfs/dbraw/zinc/64/64/92/367646492.db2.gz WGHIGMWPPPXQGW-CQSZACIVSA-N 2 2 263.385 0.909 20 0 CCADLP COCc1cccc(C[NH2+]CC[N@@H+]2CC[C@H](O)C2)c1 ZINC000623837914 367675935 /nfs/dbraw/zinc/67/59/35/367675935.db2.gz ZULWPVJXJNMPIX-HNNXBMFYSA-N 2 2 264.369 0.989 20 0 CCADLP COCc1cccc(C[NH2+]CC[N@H+]2CC[C@H](O)C2)c1 ZINC000623837914 367675938 /nfs/dbraw/zinc/67/59/38/367675938.db2.gz ZULWPVJXJNMPIX-HNNXBMFYSA-N 2 2 264.369 0.989 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCn2nccc21 ZINC000624086305 367749356 /nfs/dbraw/zinc/74/93/56/367749356.db2.gz ALJSYCJUMNYBRD-OCCSQVGLSA-N 2 2 291.399 0.647 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCn2nccc21 ZINC000624086305 367749362 /nfs/dbraw/zinc/74/93/62/367749362.db2.gz ALJSYCJUMNYBRD-OCCSQVGLSA-N 2 2 291.399 0.647 20 0 CCADLP CC(=O)NC1CCC([NH2+]CC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000624338634 367840268 /nfs/dbraw/zinc/84/02/68/367840268.db2.gz ZFBKDTPODMCSSZ-RUXDESIVSA-N 2 2 269.389 0.090 20 0 CCADLP CC(=O)NC1CCC([NH2+]CC[N@H+]2CC[C@H](O)C2)CC1 ZINC000624338634 367840277 /nfs/dbraw/zinc/84/02/77/367840277.db2.gz ZFBKDTPODMCSSZ-RUXDESIVSA-N 2 2 269.389 0.090 20 0 CCADLP C[N@@H+]1CC[C@]2(CCN(C(=O)NC[C@H]3COCC[NH+]3C)C2)C1 ZINC000624734649 367973592 /nfs/dbraw/zinc/97/35/92/367973592.db2.gz SDKVCJSTOFCSBJ-ZFWWWQNUSA-N 2 2 296.415 0.054 20 0 CCADLP C[N@H+]1CC[C@]2(CCN(C(=O)NC[C@H]3COCC[NH+]3C)C2)C1 ZINC000624734649 367973603 /nfs/dbraw/zinc/97/36/03/367973603.db2.gz SDKVCJSTOFCSBJ-ZFWWWQNUSA-N 2 2 296.415 0.054 20 0 CCADLP C[NH+]1CC[C@]2(CCN(C(=O)NC[C@H]3COCC[N@@H+]3C)C2)C1 ZINC000624734649 367973611 /nfs/dbraw/zinc/97/36/11/367973611.db2.gz SDKVCJSTOFCSBJ-ZFWWWQNUSA-N 2 2 296.415 0.054 20 0 CCADLP C[NH+]1CC[C@]2(CCN(C(=O)NC[C@H]3COCC[N@H+]3C)C2)C1 ZINC000624734649 367973618 /nfs/dbraw/zinc/97/36/18/367973618.db2.gz SDKVCJSTOFCSBJ-ZFWWWQNUSA-N 2 2 296.415 0.054 20 0 CCADLP CN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000624733708 367973830 /nfs/dbraw/zinc/97/38/30/367973830.db2.gz OTDWORDHMDQWDQ-CQSZACIVSA-N 2 2 298.431 0.300 20 0 CCADLP CN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000624733708 367973834 /nfs/dbraw/zinc/97/38/34/367973834.db2.gz OTDWORDHMDQWDQ-CQSZACIVSA-N 2 2 298.431 0.300 20 0 CCADLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cnns2)CC1 ZINC000625248224 368116573 /nfs/dbraw/zinc/11/65/73/368116573.db2.gz VIAJRCGLOCUACT-UHFFFAOYSA-N 2 2 297.428 0.428 20 0 CCADLP Cc1nc(N2CC[NH+](CCc3cn(C)nn3)CC2)cc[nH+]1 ZINC000625323894 368145497 /nfs/dbraw/zinc/14/54/97/368145497.db2.gz JCIQTAJSXXBYGO-UHFFFAOYSA-N 2 2 287.371 0.278 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000625333223 368151116 /nfs/dbraw/zinc/15/11/16/368151116.db2.gz FXUBMOISALVWQW-KGLIPLIRSA-N 2 2 292.383 0.249 20 0 CCADLP COc1c(N)[nH+]cnc1NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656211403 412767215 /nfs/dbraw/zinc/76/72/15/412767215.db2.gz BNUXGSODSOHFGR-DTORHVGOSA-N 2 2 251.334 0.820 20 0 CCADLP COc1c(N)nc[nH+]c1NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656211403 412767219 /nfs/dbraw/zinc/76/72/19/412767219.db2.gz BNUXGSODSOHFGR-DTORHVGOSA-N 2 2 251.334 0.820 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000625896408 368361614 /nfs/dbraw/zinc/36/16/14/368361614.db2.gz GCUMHDNOUNIDCO-CYBMUJFWSA-N 2 2 278.356 0.597 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000625896408 368361617 /nfs/dbraw/zinc/36/16/17/368361617.db2.gz GCUMHDNOUNIDCO-CYBMUJFWSA-N 2 2 278.356 0.597 20 0 CCADLP CCC1([NH+]2CCOCC2)CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000626088836 368437650 /nfs/dbraw/zinc/43/76/50/368437650.db2.gz PVOXXVFEHIEULU-AWEZNQCLSA-N 2 2 295.427 0.842 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000626280684 368505493 /nfs/dbraw/zinc/50/54/93/368505493.db2.gz MBAGWTPRPAACFU-UHFFFAOYSA-N 2 2 280.372 0.107 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1C[C@@H]3C[N@H+](C)C[C@@H]3C1)CC2 ZINC000626685603 368609475 /nfs/dbraw/zinc/60/94/75/368609475.db2.gz XCLSNVJUHISGQN-MCIONIFRSA-N 2 2 288.395 0.774 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1C[C@@H]3C[N@@H+](C)C[C@@H]3C1)CC2 ZINC000626685603 368609478 /nfs/dbraw/zinc/60/94/78/368609478.db2.gz XCLSNVJUHISGQN-MCIONIFRSA-N 2 2 288.395 0.774 20 0 CCADLP CCN(CC[NH3+])C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000627000832 368726654 /nfs/dbraw/zinc/72/66/54/368726654.db2.gz WBAJYUGUOMELDQ-UHFFFAOYSA-N 2 2 261.329 0.825 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000626969481 368702689 /nfs/dbraw/zinc/70/26/89/368702689.db2.gz VZXGGMXSHPTWIE-NWDGAFQWSA-N 2 2 284.404 0.147 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000626969481 368702693 /nfs/dbraw/zinc/70/26/93/368702693.db2.gz VZXGGMXSHPTWIE-NWDGAFQWSA-N 2 2 284.404 0.147 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000626889756 368668620 /nfs/dbraw/zinc/66/86/20/368668620.db2.gz ZVFJZASCEKQZGA-NXEZZACHSA-N 2 2 292.339 0.285 20 0 CCADLP CCN(CC[NH3+])C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000626928867 368682390 /nfs/dbraw/zinc/68/23/90/368682390.db2.gz KHJYENSKWCCIOA-UHFFFAOYSA-N 2 2 275.356 0.867 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000627016046 368738640 /nfs/dbraw/zinc/73/86/40/368738640.db2.gz GEWSBBDQVBGBJD-HBNTYKKESA-N 2 2 263.345 0.248 20 0 CCADLP C[C@@H]1[C@H](C)N(S(=O)(=O)CCC[NH+](C)C)CC[N@H+]1C ZINC000632174312 370905511 /nfs/dbraw/zinc/90/55/11/370905511.db2.gz WOHLHFNVFFBKIN-NEPJUHHUSA-N 2 2 277.434 0.292 20 0 CCADLP C[C@@H]1[C@H](C)N(S(=O)(=O)CCC[NH+](C)C)CC[N@@H+]1C ZINC000632174312 370905514 /nfs/dbraw/zinc/90/55/14/370905514.db2.gz WOHLHFNVFFBKIN-NEPJUHHUSA-N 2 2 277.434 0.292 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)N[C@@H]2CC[NH2+][C@H]2C)c2[nH+]ccn21 ZINC000627052739 368758600 /nfs/dbraw/zinc/75/86/00/368758600.db2.gz STTKESYUTDCMRT-UKKRHICBSA-N 2 2 263.345 0.939 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000627236181 368900826 /nfs/dbraw/zinc/90/08/26/368900826.db2.gz MMAUXHWHOXIECF-QWHCGFSZSA-N 2 2 289.383 0.664 20 0 CCADLP CC[NH2+]CC1CCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000627182619 368851410 /nfs/dbraw/zinc/85/14/10/368851410.db2.gz BDTLJALYFOBUGS-CQSZACIVSA-N 2 2 298.431 0.348 20 0 CCADLP CC[NH2+]CC1CCN(C(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000627182619 368851411 /nfs/dbraw/zinc/85/14/11/368851411.db2.gz BDTLJALYFOBUGS-CQSZACIVSA-N 2 2 298.431 0.348 20 0 CCADLP CCCN(C(=O)NC[C@@H]1COCC[N@@H+]1C)C1CC[NH2+]CC1 ZINC000627184047 368852672 /nfs/dbraw/zinc/85/26/72/368852672.db2.gz RAMOQBWPEAHQMA-CQSZACIVSA-N 2 2 298.431 0.491 20 0 CCADLP CCCN(C(=O)NC[C@@H]1COCC[N@H+]1C)C1CC[NH2+]CC1 ZINC000627184047 368852675 /nfs/dbraw/zinc/85/26/75/368852675.db2.gz RAMOQBWPEAHQMA-CQSZACIVSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1CN(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC[C@H]1[NH3+] ZINC000627183558 368853267 /nfs/dbraw/zinc/85/32/67/368853267.db2.gz MFHCVYJNBZFOKV-JHJVBQTASA-N 2 2 284.404 0.086 20 0 CCADLP CC[C@@H]1CN(C(=O)NC[C@@H]2COCC[N@H+]2C)CC[C@H]1[NH3+] ZINC000627183558 368853278 /nfs/dbraw/zinc/85/32/78/368853278.db2.gz MFHCVYJNBZFOKV-JHJVBQTASA-N 2 2 284.404 0.086 20 0 CCADLP CCN(C(=O)[C@@H](C)[NH+]1CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000627619183 369057331 /nfs/dbraw/zinc/05/73/31/369057331.db2.gz WJMQOKGFRQQYFC-CQSZACIVSA-N 2 2 296.459 0.565 20 0 CCADLP C[NH+](C)C1(C(=O)NC2CC([NH+]3CCOCC3)C2)CC1 ZINC000627942307 369142413 /nfs/dbraw/zinc/14/24/13/369142413.db2.gz NXRCKNZHRGIWIU-UHFFFAOYSA-N 2 2 267.373 0.060 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](COC(F)F)C1 ZINC000574288071 335007329 /nfs/dbraw/zinc/00/73/29/335007329.db2.gz KHNJRODCCHCKTB-QWRGUYRKSA-N 2 2 266.332 0.860 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](COC(F)F)C1 ZINC000574288071 335007330 /nfs/dbraw/zinc/00/73/30/335007330.db2.gz KHNJRODCCHCKTB-QWRGUYRKSA-N 2 2 266.332 0.860 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000574288071 335007331 /nfs/dbraw/zinc/00/73/31/335007331.db2.gz KHNJRODCCHCKTB-QWRGUYRKSA-N 2 2 266.332 0.860 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](COC(F)F)C1 ZINC000574288071 335007332 /nfs/dbraw/zinc/00/73/32/335007332.db2.gz KHNJRODCCHCKTB-QWRGUYRKSA-N 2 2 266.332 0.860 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000574318367 335009813 /nfs/dbraw/zinc/00/98/13/335009813.db2.gz SIAUNGMNIMQSAP-ZDUSSCGKSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000574318367 335009814 /nfs/dbraw/zinc/00/98/14/335009814.db2.gz SIAUNGMNIMQSAP-ZDUSSCGKSA-N 2 2 283.416 0.507 20 0 CCADLP Cc1ncc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)c(C)n1 ZINC000330876963 203342252 /nfs/dbraw/zinc/34/22/52/203342252.db2.gz KDFLMAGYRBNIOC-QMTHXVAHSA-N 2 2 264.373 0.811 20 0 CCADLP Cc1ncc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c(C)n1 ZINC000330876963 203342256 /nfs/dbraw/zinc/34/22/56/203342256.db2.gz KDFLMAGYRBNIOC-QMTHXVAHSA-N 2 2 264.373 0.811 20 0 CCADLP NC(=O)C1=NO[C@H](C[NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000276446654 193334496 /nfs/dbraw/zinc/33/44/96/193334496.db2.gz JJKBQVFEJYMFCQ-JTQLQIEISA-N 2 2 273.296 0.054 20 0 CCADLP CCCCc1noc(C[N@H+](C)CCOCC[NH3+])n1 ZINC000629580065 369723001 /nfs/dbraw/zinc/72/30/01/369723001.db2.gz SLIBNEGAXZCYTH-UHFFFAOYSA-N 2 2 256.350 0.819 20 0 CCADLP CCCCc1noc(C[N@@H+](C)CCOCC[NH3+])n1 ZINC000629580065 369723004 /nfs/dbraw/zinc/72/30/04/369723004.db2.gz SLIBNEGAXZCYTH-UHFFFAOYSA-N 2 2 256.350 0.819 20 0 CCADLP Cc1ccc(NCCC[NH2+]C[C@@H](O)C[NH+]2CCCC2)[nH+]c1 ZINC000629564937 369712618 /nfs/dbraw/zinc/71/26/18/369712618.db2.gz LYLLHRGRBUGTPW-OAHLLOKOSA-N 3 2 292.427 0.660 20 0 CCADLP C[NH2+]CCOCC[NH2+][C@@H](c1ncc[nH]1)c1cccnc1 ZINC000629530364 369692313 /nfs/dbraw/zinc/69/23/13/369692313.db2.gz DTEAATUBVPEDST-CYBMUJFWSA-N 2 2 275.356 0.720 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C[NH2+]1 ZINC000629541278 369697566 /nfs/dbraw/zinc/69/75/66/369697566.db2.gz SUPHTVURHYOODS-CAEXGNQWSA-N 3 2 267.417 0.874 20 0 CCADLP OC[C@@H](CC(F)F)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629583569 369725906 /nfs/dbraw/zinc/72/59/06/369725906.db2.gz CNPWLFYOTKMDIW-NXEZZACHSA-N 2 2 252.305 0.049 20 0 CCADLP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@@H](O)C(F)(F)F ZINC000629583938 369728067 /nfs/dbraw/zinc/72/80/67/369728067.db2.gz LUEJSVBQXLZEBH-GARJFASQSA-N 2 2 284.322 0.735 20 0 CCADLP CN(C(=O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)C1CC1 ZINC000629585147 369729181 /nfs/dbraw/zinc/72/91/81/369729181.db2.gz LKVSZUYIIZMATJ-OKILXGFUSA-N 2 2 251.374 0.539 20 0 CCADLP CN(C(=O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)C1CC1 ZINC000629585147 369729187 /nfs/dbraw/zinc/72/91/87/369729187.db2.gz LKVSZUYIIZMATJ-OKILXGFUSA-N 2 2 251.374 0.539 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C[NH+](C)C1CCC1 ZINC000630019237 369900165 /nfs/dbraw/zinc/90/01/65/369900165.db2.gz WVPIMUHJNZEGGY-OLZOCXBDSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C[NH+](C)C1CCC1 ZINC000630019237 369900166 /nfs/dbraw/zinc/90/01/66/369900166.db2.gz WVPIMUHJNZEGGY-OLZOCXBDSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[NH+]1CCNC(=O)C[N@H+](C)C1CCC1 ZINC000630019237 369900170 /nfs/dbraw/zinc/90/01/70/369900170.db2.gz WVPIMUHJNZEGGY-OLZOCXBDSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[NH+]1CCNC(=O)C[N@@H+](C)C1CCC1 ZINC000630019237 369900173 /nfs/dbraw/zinc/90/01/73/369900173.db2.gz WVPIMUHJNZEGGY-OLZOCXBDSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H](O)CNc1cc(N2C[C@H]3CC[C@@H](C2)[NH2+]3)nc[nH+]1 ZINC000630555819 370168401 /nfs/dbraw/zinc/16/84/01/370168401.db2.gz JKPTXOVEGRLFDF-GARJFASQSA-N 2 2 263.345 0.210 20 0 CCADLP c1cn(-c2cc(NC[C@@H]3COCC[NH2+]3)ncn2)c[nH+]1 ZINC000630532866 370153199 /nfs/dbraw/zinc/15/31/99/370153199.db2.gz NEEHYWVVDPQSHR-SNVBAGLBSA-N 2 2 260.301 0.063 20 0 CCADLP c1c(CN2CC[NH2+]CC2)nnn1Cc1cn2ccccc2[nH+]1 ZINC000630600531 370200038 /nfs/dbraw/zinc/20/00/38/370200038.db2.gz KBEWSGHLEJJLGV-UHFFFAOYSA-N 2 2 297.366 0.379 20 0 CCADLP C[NH+](C)CCn1cc(C(=O)N2CC[NH+](C3CC3)CC2)cn1 ZINC000630839864 370288944 /nfs/dbraw/zinc/28/89/44/370288944.db2.gz MSOVGMQXSJJPQN-UHFFFAOYSA-N 2 2 291.399 0.365 20 0 CCADLP Cc1nc(NCCCC[N@H+]2CCC[C@@H](C)C2)nc(N)[nH+]1 ZINC000631060063 370371418 /nfs/dbraw/zinc/37/14/18/370371418.db2.gz CBHLQOUJMKCMPE-LLVKDONJSA-N 2 2 278.404 0.938 20 0 CCADLP Cc1nc(NCCCC[N@@H+]2CCC[C@@H](C)C2)nc(N)[nH+]1 ZINC000631060063 370371419 /nfs/dbraw/zinc/37/14/19/370371419.db2.gz CBHLQOUJMKCMPE-LLVKDONJSA-N 2 2 278.404 0.938 20 0 CCADLP Cc1nc(N)nc(NCCCC[N@H+]2CCC[C@@H](C)C2)[nH+]1 ZINC000631060063 370371423 /nfs/dbraw/zinc/37/14/23/370371423.db2.gz CBHLQOUJMKCMPE-LLVKDONJSA-N 2 2 278.404 0.938 20 0 CCADLP Cc1nc(N)nc(NCCCC[N@@H+]2CCC[C@@H](C)C2)[nH+]1 ZINC000631060063 370371426 /nfs/dbraw/zinc/37/14/26/370371426.db2.gz CBHLQOUJMKCMPE-LLVKDONJSA-N 2 2 278.404 0.938 20 0 CCADLP Cn1nc2c(c1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1)CCCC2 ZINC000631112735 370389212 /nfs/dbraw/zinc/38/92/12/370389212.db2.gz RDOSLVXEHVYUIL-HNNXBMFYSA-N 2 2 278.400 0.455 20 0 CCADLP Cn1nc2c(c1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1)CCCC2 ZINC000631112735 370389216 /nfs/dbraw/zinc/38/92/16/370389216.db2.gz RDOSLVXEHVYUIL-HNNXBMFYSA-N 2 2 278.400 0.455 20 0 CCADLP Cc1nc(N(C)C[C@H]2CCC[N@H+](C)C2)nc(N)[nH+]1 ZINC000631119768 370389997 /nfs/dbraw/zinc/38/99/97/370389997.db2.gz QIBKXRSVBDZCMF-JTQLQIEISA-N 2 2 250.350 0.371 20 0 CCADLP Cc1nc(N(C)C[C@H]2CCC[N@@H+](C)C2)nc(N)[nH+]1 ZINC000631119768 370390001 /nfs/dbraw/zinc/39/00/01/370390001.db2.gz QIBKXRSVBDZCMF-JTQLQIEISA-N 2 2 250.350 0.371 20 0 CCADLP Cc1nc(N)nc(N(C)C[C@H]2CCC[N@H+](C)C2)[nH+]1 ZINC000631119768 370390005 /nfs/dbraw/zinc/39/00/05/370390005.db2.gz QIBKXRSVBDZCMF-JTQLQIEISA-N 2 2 250.350 0.371 20 0 CCADLP Cc1nc(N)nc(N(C)C[C@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000631119768 370390007 /nfs/dbraw/zinc/39/00/07/370390007.db2.gz QIBKXRSVBDZCMF-JTQLQIEISA-N 2 2 250.350 0.371 20 0 CCADLP Cc1cc[nH+]c(N2CCN(c3nc(C)[nH+]c(N)n3)CC2)c1 ZINC000631170315 370409871 /nfs/dbraw/zinc/40/98/71/370409871.db2.gz JLSQECFUJADAFC-UHFFFAOYSA-N 2 2 285.355 0.623 20 0 CCADLP Cc1nc(N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000631266962 370443544 /nfs/dbraw/zinc/44/35/44/370443544.db2.gz ZWABMUBXWUFKIR-CQSZACIVSA-N 2 2 298.394 0.956 20 0 CCADLP Cc1nc(N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000631266962 370443546 /nfs/dbraw/zinc/44/35/46/370443546.db2.gz ZWABMUBXWUFKIR-CQSZACIVSA-N 2 2 298.394 0.956 20 0 CCADLP Cc1nc(NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)cc[nH+]1 ZINC000631306746 370466728 /nfs/dbraw/zinc/46/67/28/370466728.db2.gz IFMXAROEESCFCJ-ZDUSSCGKSA-N 2 2 289.383 0.892 20 0 CCADLP C[C@@H]1CN(S(=O)(=O)CCC[NH+](C)C)C[C@H](C)[N@H+]1C ZINC000632373198 371016286 /nfs/dbraw/zinc/01/62/86/371016286.db2.gz QGYWLVOHYOPEDV-TXEJJXNPSA-N 2 2 277.434 0.292 20 0 CCADLP C[C@@H]1CN(S(=O)(=O)CCC[NH+](C)C)C[C@H](C)[N@@H+]1C ZINC000632373198 371016291 /nfs/dbraw/zinc/01/62/91/371016291.db2.gz QGYWLVOHYOPEDV-TXEJJXNPSA-N 2 2 277.434 0.292 20 0 CCADLP CCn1cc[nH+]c1CNS(=O)(=O)CCC[NH+](C)C ZINC000632392859 371031336 /nfs/dbraw/zinc/03/13/36/371031336.db2.gz XCRMYSRNPPQQQX-UHFFFAOYSA-N 2 2 274.390 0.274 20 0 CCADLP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000567801298 291515343 /nfs/dbraw/zinc/51/53/43/291515343.db2.gz QUJGBJFEOTYMFT-GFCCVEGCSA-N 2 2 291.399 0.205 20 0 CCADLP [NH3+][C@@H](C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)c1cscn1 ZINC000567817123 291518053 /nfs/dbraw/zinc/51/80/53/291518053.db2.gz NBXYBYIQVWMMOJ-DGCLKSJQSA-N 2 2 294.424 0.991 20 0 CCADLP O=C(Nc1ccn2cc[nH+]c2c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000632942278 371333179 /nfs/dbraw/zinc/33/31/79/371333179.db2.gz PQXNGCTXHZXMSE-QWRGUYRKSA-N 2 2 257.297 0.912 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000632953346 371336772 /nfs/dbraw/zinc/33/67/72/371336772.db2.gz UPBHGQYDPHYHEF-ZETCQYMHSA-N 2 2 279.266 0.831 20 0 CCADLP Cc1cc(C)c(CNC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c[nH+]1 ZINC000633716327 371696847 /nfs/dbraw/zinc/69/68/47/371696847.db2.gz VEQVBXDPWFWJRW-OCCSQVGLSA-N 2 2 292.383 0.956 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000337357243 214026409 /nfs/dbraw/zinc/02/64/09/214026409.db2.gz CSDKDWDGTATPGZ-VXGBXAGGSA-N 2 2 252.362 0.307 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000337357243 214026410 /nfs/dbraw/zinc/02/64/10/214026410.db2.gz CSDKDWDGTATPGZ-VXGBXAGGSA-N 2 2 252.362 0.307 20 0 CCADLP CC(C)[C@@H](O)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634194387 371944297 /nfs/dbraw/zinc/94/42/97/371944297.db2.gz QLIRICZNSXEALY-CQSZACIVSA-N 2 2 292.383 0.789 20 0 CCADLP COC1(C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)CC1 ZINC000634194948 371944570 /nfs/dbraw/zinc/94/45/70/371944570.db2.gz SLUBDOCTEDCWMH-UHFFFAOYSA-N 2 2 290.367 0.951 20 0 CCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C(C)(C)CO)c2)CC1 ZINC000634194989 371944735 /nfs/dbraw/zinc/94/47/35/371944735.db2.gz ZPGVLOYWDBAYQH-UHFFFAOYSA-N 2 2 292.383 0.790 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC[N@@H+]1C ZINC000634300581 372005280 /nfs/dbraw/zinc/00/52/80/372005280.db2.gz DKJVRFFSTGPVHW-QWHCGFSZSA-N 3 2 270.421 0.064 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC[N@H+]1C ZINC000634300581 372005287 /nfs/dbraw/zinc/00/52/87/372005287.db2.gz DKJVRFFSTGPVHW-QWHCGFSZSA-N 3 2 270.421 0.064 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)O1 ZINC000634688001 372132686 /nfs/dbraw/zinc/13/26/86/372132686.db2.gz FFGCUACNUQFFES-KGLIPLIRSA-N 2 2 296.415 0.197 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000634704473 372150925 /nfs/dbraw/zinc/15/09/25/372150925.db2.gz LGAATHAQEUUTPZ-MGPQQGTHSA-N 2 2 256.390 0.582 20 0 CCADLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000634704473 372150928 /nfs/dbraw/zinc/15/09/28/372150928.db2.gz LGAATHAQEUUTPZ-MGPQQGTHSA-N 2 2 256.390 0.582 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CC2(O)CCOCC2)C[N@@H+]1C1CC1 ZINC000634707457 372152541 /nfs/dbraw/zinc/15/25/41/372152541.db2.gz GRQMLPOTYWOYPI-IPYPFGDCSA-N 2 2 298.427 0.494 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CC2(O)CCOCC2)C[N@H+]1C1CC1 ZINC000634707457 372152542 /nfs/dbraw/zinc/15/25/42/372152542.db2.gz GRQMLPOTYWOYPI-IPYPFGDCSA-N 2 2 298.427 0.494 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+](C)[C@H]1CCCCN(C)C1=O ZINC000634743823 372188675 /nfs/dbraw/zinc/18/86/75/372188675.db2.gz FWDDHCSXYYPDPU-ZDUSSCGKSA-N 2 2 264.373 0.905 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@H]1CCCCN(C)C1=O ZINC000634743823 372188682 /nfs/dbraw/zinc/18/86/82/372188682.db2.gz FWDDHCSXYYPDPU-ZDUSSCGKSA-N 2 2 264.373 0.905 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCCCN(C)C1=O ZINC000634744111 372189378 /nfs/dbraw/zinc/18/93/78/372189378.db2.gz NNIGJAMQRDDWAY-KGLIPLIRSA-N 2 2 285.432 0.630 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCCCN(C)C1=O ZINC000634744111 372189384 /nfs/dbraw/zinc/18/93/84/372189384.db2.gz NNIGJAMQRDDWAY-KGLIPLIRSA-N 2 2 285.432 0.630 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@H]1CCCCN(C)C1=O ZINC000634744111 372189390 /nfs/dbraw/zinc/18/93/90/372189390.db2.gz NNIGJAMQRDDWAY-KGLIPLIRSA-N 2 2 285.432 0.630 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H]1CCCCN(C)C1=O ZINC000634744111 372189397 /nfs/dbraw/zinc/18/93/97/372189397.db2.gz NNIGJAMQRDDWAY-KGLIPLIRSA-N 2 2 285.432 0.630 20 0 CCADLP OC[C@H]1CCCN(c2cc(N3CCC[NH2+]CC3)nc[nH+]2)C1 ZINC000634807576 372247035 /nfs/dbraw/zinc/24/70/35/372247035.db2.gz SWBBGADCRYLTBK-ZDUSSCGKSA-N 2 2 291.399 0.485 20 0 CCADLP C[N@@H+]1CCc2ncnc(N3CC[C@@H]4CC[NH2+][C@@H]4C3)c2C1 ZINC000634808060 372248109 /nfs/dbraw/zinc/24/81/09/372248109.db2.gz IPIYNLLKMPYRLC-SMDDNHRTSA-N 2 2 273.384 0.653 20 0 CCADLP C[N@H+]1CCc2ncnc(N3CC[C@@H]4CC[NH2+][C@@H]4C3)c2C1 ZINC000634808060 372248122 /nfs/dbraw/zinc/24/81/22/372248122.db2.gz IPIYNLLKMPYRLC-SMDDNHRTSA-N 2 2 273.384 0.653 20 0 CCADLP C[C@@H]([NH3+])CNc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000634808893 372250011 /nfs/dbraw/zinc/25/00/11/372250011.db2.gz FTMFGALSGDFBER-SNVBAGLBSA-N 2 2 265.361 0.587 20 0 CCADLP C[C@H]1CN(c2cc(N3CCC(C)(O)CC3)[nH+]cn2)CC[NH2+]1 ZINC000634808304 372250208 /nfs/dbraw/zinc/25/02/08/372250208.db2.gz PCOWUIBFZXTYRS-LBPRGKRZSA-N 2 2 291.399 0.626 20 0 CCADLP c1nc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)c2c([nH+]1)NCCO2 ZINC000634809963 372253469 /nfs/dbraw/zinc/25/34/69/372253469.db2.gz HHVZQQNTXCWIRV-PHIMTYICSA-N 2 2 275.356 0.717 20 0 CCADLP c1nc2c(c(N3CC[C@H]4C[NH2+]C[C@H]4CC3)[nH+]1)OCCN2 ZINC000634809963 372253473 /nfs/dbraw/zinc/25/34/73/372253473.db2.gz HHVZQQNTXCWIRV-PHIMTYICSA-N 2 2 275.356 0.717 20 0 CCADLP c1cn(-c2cc(N3CCC[C@H]4C[NH2+]C[C@H]43)ncn2)c[nH+]1 ZINC000634810883 372255400 /nfs/dbraw/zinc/25/54/00/372255400.db2.gz LLKXIMFHUYIQSR-NWDGAFQWSA-N 2 2 270.340 0.851 20 0 CCADLP O=C1CC[C@H]([NH2+][C@H]2CCC[N@@H+](CCCO)C2)CCN1 ZINC000634982715 372322548 /nfs/dbraw/zinc/32/25/48/372322548.db2.gz SMOZRYWXGXGZIR-STQMWFEESA-N 2 2 269.389 0.092 20 0 CCADLP O=C1CC[C@H]([NH2+][C@H]2CCC[N@H+](CCCO)C2)CCN1 ZINC000634982715 372322552 /nfs/dbraw/zinc/32/25/52/372322552.db2.gz SMOZRYWXGXGZIR-STQMWFEESA-N 2 2 269.389 0.092 20 0 CCADLP O=C1C[C@@H]([C@H]2CCCC[N@@H+]2CC23CC(C2)C[NH2+]3)CN1 ZINC000634992917 372327810 /nfs/dbraw/zinc/32/78/10/372327810.db2.gz FWWKRENKVOCCKH-DNCHLWJUSA-N 2 2 263.385 0.729 20 0 CCADLP O=C1C[C@@H]([C@H]2CCCC[N@H+]2CC23CC(C2)C[NH2+]3)CN1 ZINC000634992917 372327813 /nfs/dbraw/zinc/32/78/13/372327813.db2.gz FWWKRENKVOCCKH-DNCHLWJUSA-N 2 2 263.385 0.729 20 0 CCADLP COCCO[C@@H]1C[C@@H](CO)C[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634994984 372330402 /nfs/dbraw/zinc/33/04/02/372330402.db2.gz RLAPVEMJIINQEX-FEWQNLEASA-N 2 2 284.400 0.084 20 0 CCADLP COCCO[C@@H]1C[C@@H](CO)C[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634994984 372330406 /nfs/dbraw/zinc/33/04/06/372330406.db2.gz RLAPVEMJIINQEX-FEWQNLEASA-N 2 2 284.400 0.084 20 0 CCADLP C[C@]1(C[NH+]2CCN(CCc3cnccn3)CC2)CC[NH2+]C1 ZINC000635002288 372337033 /nfs/dbraw/zinc/33/70/33/372337033.db2.gz PNDGQTISJVSTNX-INIZCTEOSA-N 2 2 289.427 0.636 20 0 CCADLP CCc1c[nH]c(CC(=O)NC2CC[NH+](CCOC)CC2)[nH+]1 ZINC000635425245 372506994 /nfs/dbraw/zinc/50/69/94/372506994.db2.gz JVBODRFMHVUIQR-UHFFFAOYSA-N 2 2 294.399 0.742 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000635548251 372613879 /nfs/dbraw/zinc/61/38/79/372613879.db2.gz OSTPKOUBEIIYPZ-CYBMUJFWSA-N 2 2 293.415 0.369 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000635548251 372613883 /nfs/dbraw/zinc/61/38/83/372613883.db2.gz OSTPKOUBEIIYPZ-CYBMUJFWSA-N 2 2 293.415 0.369 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3C[C@@H](O)C3)C2)CC1 ZINC000635552234 372617257 /nfs/dbraw/zinc/61/72/57/372617257.db2.gz RZLFJCOBCRFRGA-SGMGOOAPSA-N 2 2 281.400 0.042 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3C[C@@H](O)C3)C2)CC1 ZINC000635552234 372617261 /nfs/dbraw/zinc/61/72/61/372617261.db2.gz RZLFJCOBCRFRGA-SGMGOOAPSA-N 2 2 281.400 0.042 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@@H]2C[N@H+](CC)C[C@H]2C)[nH+]1 ZINC000635668016 372744808 /nfs/dbraw/zinc/74/48/08/372744808.db2.gz JQUYQLYGCYAVKF-ZYHUDNBSSA-N 2 2 264.373 0.971 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@@H]2C[N@@H+](CC)C[C@H]2C)[nH+]1 ZINC000635668016 372744810 /nfs/dbraw/zinc/74/48/10/372744810.db2.gz JQUYQLYGCYAVKF-ZYHUDNBSSA-N 2 2 264.373 0.971 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000333394541 205283802 /nfs/dbraw/zinc/28/38/02/205283802.db2.gz PGBCLQMKFSMDAC-QWHCGFSZSA-N 2 2 298.431 0.537 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333445657 205326638 /nfs/dbraw/zinc/32/66/38/205326638.db2.gz WTVPYKSOKBEDBN-OLZOCXBDSA-N 2 2 296.415 0.101 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333445657 205326643 /nfs/dbraw/zinc/32/66/43/205326643.db2.gz WTVPYKSOKBEDBN-OLZOCXBDSA-N 2 2 296.415 0.101 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000635870254 373027844 /nfs/dbraw/zinc/02/78/44/373027844.db2.gz UEAKVDRQGWLWEK-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000635870254 373027847 /nfs/dbraw/zinc/02/78/47/373027847.db2.gz UEAKVDRQGWLWEK-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000635918422 373104364 /nfs/dbraw/zinc/10/43/64/373104364.db2.gz BGWXEQFGASCUTE-KKUMJFAQSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC000635918422 373104365 /nfs/dbraw/zinc/10/43/65/373104365.db2.gz BGWXEQFGASCUTE-KKUMJFAQSA-N 2 2 295.427 0.792 20 0 CCADLP Cc1nc(N)c(CNC(=O)C2(C[NH+](C)C)CC2)c[nH+]1 ZINC000635922025 373109290 /nfs/dbraw/zinc/10/92/90/373109290.db2.gz QEZCWOHVMMTUIA-UHFFFAOYSA-N 2 2 263.345 0.156 20 0 CCADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635954582 373154074 /nfs/dbraw/zinc/15/40/74/373154074.db2.gz NKGGGRRDZOECGU-WGBDABJCSA-N 2 2 260.341 0.676 20 0 CCADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635954582 373154077 /nfs/dbraw/zinc/15/40/77/373154077.db2.gz NKGGGRRDZOECGU-WGBDABJCSA-N 2 2 260.341 0.676 20 0 CCADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635954582 373154083 /nfs/dbraw/zinc/15/40/83/373154083.db2.gz NKGGGRRDZOECGU-WGBDABJCSA-N 2 2 260.341 0.676 20 0 CCADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635954582 373154086 /nfs/dbraw/zinc/15/40/86/373154086.db2.gz NKGGGRRDZOECGU-WGBDABJCSA-N 2 2 260.341 0.676 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000636014408 373248121 /nfs/dbraw/zinc/24/81/21/373248121.db2.gz BLHBHIWNOJQEHY-NSHDSACASA-N 2 2 250.346 0.421 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000636014408 373248127 /nfs/dbraw/zinc/24/81/27/373248127.db2.gz BLHBHIWNOJQEHY-NSHDSACASA-N 2 2 250.346 0.421 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000636125860 373382723 /nfs/dbraw/zinc/38/27/23/373382723.db2.gz UJEDTRSODSXEEA-CYBMUJFWSA-N 2 2 292.383 0.284 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000636125860 373382729 /nfs/dbraw/zinc/38/27/29/373382729.db2.gz UJEDTRSODSXEEA-CYBMUJFWSA-N 2 2 292.383 0.284 20 0 CCADLP C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)c1[nH+]ccn1C ZINC000636211368 373456061 /nfs/dbraw/zinc/45/60/61/373456061.db2.gz DGFLHPYNOWZVSE-GHMZBOCLSA-N 2 2 250.346 0.939 20 0 CCADLP C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)c1[nH+]ccn1C ZINC000636211368 373456067 /nfs/dbraw/zinc/45/60/67/373456067.db2.gz DGFLHPYNOWZVSE-GHMZBOCLSA-N 2 2 250.346 0.939 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[NH2+][C@H](C(C)C)C2)[nH+]1 ZINC000636237800 373478662 /nfs/dbraw/zinc/47/86/62/373478662.db2.gz ACUQQXZWTCUIEV-LBPRGKRZSA-N 2 2 264.373 0.971 20 0 CCADLP CC[NH+](CC)CCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000636445751 373601438 /nfs/dbraw/zinc/60/14/38/373601438.db2.gz UYXRAWAGRVUTHJ-UHFFFAOYSA-N 2 2 253.350 0.893 20 0 CCADLP O=C(NCCC[NH+]1CCCCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636493363 373620167 /nfs/dbraw/zinc/62/01/67/373620167.db2.gz UEKIXIAOJZFBOO-ZDUSSCGKSA-N 2 2 291.399 0.983 20 0 CCADLP C[N@@H+]1CCC[C@H](NC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000636624426 373680086 /nfs/dbraw/zinc/68/00/86/373680086.db2.gz UCJRVTJXRDLVBB-QWRGUYRKSA-N 2 2 263.345 0.201 20 0 CCADLP C[N@H+]1CCC[C@H](NC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000636624426 373680090 /nfs/dbraw/zinc/68/00/90/373680090.db2.gz UCJRVTJXRDLVBB-QWRGUYRKSA-N 2 2 263.345 0.201 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289543753 197396728 /nfs/dbraw/zinc/39/67/28/197396728.db2.gz WWRPOCDRIMOZMH-NSHDSACASA-N 2 2 276.344 0.483 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289543753 197396729 /nfs/dbraw/zinc/39/67/29/197396729.db2.gz WWRPOCDRIMOZMH-NSHDSACASA-N 2 2 276.344 0.483 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000637283613 374073322 /nfs/dbraw/zinc/07/33/22/374073322.db2.gz WBRUHCUOENSPDJ-NEPJUHHUSA-N 2 2 277.372 0.591 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000637283613 374073325 /nfs/dbraw/zinc/07/33/25/374073325.db2.gz WBRUHCUOENSPDJ-NEPJUHHUSA-N 2 2 277.372 0.591 20 0 CCADLP CC[C@@H](C)[NH+]1CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000637441491 374159783 /nfs/dbraw/zinc/15/97/83/374159783.db2.gz NFJCUHWHSRSSPJ-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@@H](C)[NH+]1CCN(C(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000637441491 374159793 /nfs/dbraw/zinc/15/97/93/374159793.db2.gz NFJCUHWHSRSSPJ-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@H](O)CC[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000568391631 291589092 /nfs/dbraw/zinc/58/90/92/291589092.db2.gz HUDZNTGPQMAYCR-XUXIUFHCSA-N 2 2 274.405 0.207 20 0 CCADLP CC(C)C[C@H](C(=O)N1CC[NH2+]CC1)n1cc[nH+]c1 ZINC000637800710 374327951 /nfs/dbraw/zinc/32/79/51/374327951.db2.gz HBVNKJPTQGIZTB-GFCCVEGCSA-N 2 2 250.346 0.902 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000334133740 206043560 /nfs/dbraw/zinc/04/35/60/206043560.db2.gz WQCOIORQYCPAIV-MELADBBJSA-N 2 2 296.415 0.243 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000334133740 206043565 /nfs/dbraw/zinc/04/35/65/206043565.db2.gz WQCOIORQYCPAIV-MELADBBJSA-N 2 2 296.415 0.243 20 0 CCADLP CC[NH+]1CC[C@H](NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000334133740 206043569 /nfs/dbraw/zinc/04/35/69/206043569.db2.gz WQCOIORQYCPAIV-MELADBBJSA-N 2 2 296.415 0.243 20 0 CCADLP CC[NH+]1CC[C@H](NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000334133740 206043574 /nfs/dbraw/zinc/04/35/74/206043574.db2.gz WQCOIORQYCPAIV-MELADBBJSA-N 2 2 296.415 0.243 20 0 CCADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)Nc2ccc(N)[nH+]c2)C1 ZINC000637827155 374367043 /nfs/dbraw/zinc/36/70/43/374367043.db2.gz CTURCIYWGNMRFX-CABZTGNLSA-N 2 2 250.302 0.200 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@@H]1CCCO1 ZINC000656543936 412821132 /nfs/dbraw/zinc/82/11/32/412821132.db2.gz HWBCKRPSMVOTIF-ZDUSSCGKSA-N 2 2 286.420 0.348 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@@H]1CCCO1 ZINC000656543936 412821134 /nfs/dbraw/zinc/82/11/34/412821134.db2.gz HWBCKRPSMVOTIF-ZDUSSCGKSA-N 2 2 286.420 0.348 20 0 CCADLP C[C@H](C[NH3+])N(C)C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000637844019 374397231 /nfs/dbraw/zinc/39/72/31/374397231.db2.gz ISWNUAMBFNFBKK-SNVBAGLBSA-N 2 2 274.324 0.997 20 0 CCADLP Cc1nc2c(cccc2C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])o1 ZINC000637864513 374427620 /nfs/dbraw/zinc/42/76/20/374427620.db2.gz SEBIHSHNDLRJFP-NSHDSACASA-N 2 2 288.351 0.851 20 0 CCADLP Cc1nc2c(cccc2C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])o1 ZINC000637864513 374427623 /nfs/dbraw/zinc/42/76/23/374427623.db2.gz SEBIHSHNDLRJFP-NSHDSACASA-N 2 2 288.351 0.851 20 0 CCADLP Nc1nc(N)c(CN2CCC[C@H]([NH+]3CCCC3)C2)c[nH+]1 ZINC000637951458 374501943 /nfs/dbraw/zinc/50/19/43/374501943.db2.gz MJHHJDIAJMRCFI-LBPRGKRZSA-N 2 2 276.388 0.362 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H]([NH3+])Cc2cccc(OC)c2)CC1 ZINC000638047830 374589698 /nfs/dbraw/zinc/58/96/98/374589698.db2.gz UTMJPRSODKKERY-OAHLLOKOSA-N 2 2 291.395 0.729 20 0 CCADLP C[C@]1(C(=O)NCc2cn3ccccc3[nH+]2)C[NH2+]CCO1 ZINC000638051766 374594319 /nfs/dbraw/zinc/59/43/19/374594319.db2.gz QMTBFJHCNKRKNZ-CQSZACIVSA-N 2 2 274.324 0.329 20 0 CCADLP CN(C)c1ccc(CNC(=O)CCC2C[NH2+]C2)c[nH+]1 ZINC000638068845 374615190 /nfs/dbraw/zinc/61/51/90/374615190.db2.gz LSFWLPIGTVQNHH-UHFFFAOYSA-N 2 2 262.357 0.763 20 0 CCADLP COC[C@]1(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CCCC[NH2+]1 ZINC000638072139 374623816 /nfs/dbraw/zinc/62/38/16/374623816.db2.gz CTZOKQVAYQGOAE-JSGCOSHPSA-N 2 2 280.372 0.547 20 0 CCADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cnc(C[NH3+])nc1 ZINC000638073201 374626859 /nfs/dbraw/zinc/62/68/59/374626859.db2.gz CTAOFTDCDKOEJK-JTQLQIEISA-N 2 2 288.355 0.506 20 0 CCADLP O=C(CN1CC[NH2+]CC1)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000638092722 374654748 /nfs/dbraw/zinc/65/47/48/374654748.db2.gz MBFUPXREYWPFBB-UHFFFAOYSA-N 2 2 285.351 0.920 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000638099051 374661666 /nfs/dbraw/zinc/66/16/66/374661666.db2.gz FABPEXCSLSECAH-QJPTWQEYSA-N 2 2 257.378 0.210 20 0 CCADLP CC(C)CC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000638099285 374663962 /nfs/dbraw/zinc/66/39/62/374663962.db2.gz SBHZVLSBGCTUAB-QWHCGFSZSA-N 2 2 271.405 0.587 20 0 CCADLP CC(C)CC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000638099285 374663969 /nfs/dbraw/zinc/66/39/69/374663969.db2.gz SBHZVLSBGCTUAB-QWHCGFSZSA-N 2 2 271.405 0.587 20 0 CCADLP CC[N@@H+]1C[C@@H](C)N(Cc2c[nH+]c(N)nc2N)C[C@@H]1C ZINC000638100778 374665903 /nfs/dbraw/zinc/66/59/03/374665903.db2.gz MJRJWEAWSPRDFX-VHSXEESVSA-N 2 2 264.377 0.216 20 0 CCADLP CC[N@H+]1C[C@@H](C)N(Cc2c[nH+]c(N)nc2N)C[C@@H]1C ZINC000638100778 374665907 /nfs/dbraw/zinc/66/59/07/374665907.db2.gz MJRJWEAWSPRDFX-VHSXEESVSA-N 2 2 264.377 0.216 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000638113436 374679947 /nfs/dbraw/zinc/67/99/47/374679947.db2.gz BPQJFVSMZJHLTQ-HZSPNIEDSA-N 2 2 283.416 0.744 20 0 CCADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000638116815 374681610 /nfs/dbraw/zinc/68/16/10/374681610.db2.gz HACSNQNEZSRRLW-IUODEOHRSA-N 2 2 292.383 0.883 20 0 CCADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000638116815 374681620 /nfs/dbraw/zinc/68/16/20/374681620.db2.gz HACSNQNEZSRRLW-IUODEOHRSA-N 2 2 292.383 0.883 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3=CC[C@@H]([NH3+])C3)C2)CC1 ZINC000638115124 374681936 /nfs/dbraw/zinc/68/19/36/374681936.db2.gz AFDIGRISVWLALJ-ZIAGYGMSSA-N 3 2 292.427 0.319 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3=CC[C@@H]([NH3+])C3)C2)CC1 ZINC000638115124 374681940 /nfs/dbraw/zinc/68/19/40/374681940.db2.gz AFDIGRISVWLALJ-ZIAGYGMSSA-N 3 2 292.427 0.319 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638123570 374690709 /nfs/dbraw/zinc/69/07/09/374690709.db2.gz PWFGUSXRMHDRHO-CMPLNLGQSA-N 2 2 266.345 0.272 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@]3(CC[NH2+]C3)C2)[nH+]1 ZINC000638170674 374752777 /nfs/dbraw/zinc/75/27/77/374752777.db2.gz MDRAJEKVZCXWQA-AWEZNQCLSA-N 2 2 262.357 0.727 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000638214989 374803218 /nfs/dbraw/zinc/80/32/18/374803218.db2.gz IDIJANHKFZADNF-AWEZNQCLSA-N 2 2 285.351 0.760 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000638220812 374807147 /nfs/dbraw/zinc/80/71/47/374807147.db2.gz APODECSHPIELBF-GFCCVEGCSA-N 2 2 288.355 0.098 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@@H](CC[NH3+])C(F)(F)F)[nH+]1 ZINC000638268730 374868084 /nfs/dbraw/zinc/86/80/84/374868084.db2.gz KRINEYVGGKIQIT-QMMMGPOBSA-N 2 2 278.278 0.911 20 0 CCADLP [NH3+][C@H]1CC=C(C(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000638271997 374873957 /nfs/dbraw/zinc/87/39/57/374873957.db2.gz XEAICTRHMIXQCR-HNNXBMFYSA-N 2 2 286.379 0.773 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000638253431 374849444 /nfs/dbraw/zinc/84/94/44/374849444.db2.gz NNLUERQWVHFEQF-GFCCVEGCSA-N 2 2 254.309 0.352 20 0 CCADLP C[NH2+]Cc1ccc(NC(=O)[C@@H](C)N2CC[NH2+]CC2=O)cc1 ZINC000638253994 374849707 /nfs/dbraw/zinc/84/97/07/374849707.db2.gz BZVFDRSWHFVCIH-LLVKDONJSA-N 2 2 290.367 0.165 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000638255178 374851601 /nfs/dbraw/zinc/85/16/01/374851601.db2.gz YOXYXRPIVODCSZ-ZDUSSCGKSA-N 2 2 269.320 0.820 20 0 CCADLP Nc1nc(N)c(CN[C@H]2CC[N@@H+]3CCCC[C@H]23)c[nH+]1 ZINC000638368644 374965146 /nfs/dbraw/zinc/96/51/46/374965146.db2.gz LIRWYQVMSDXPFA-WDEREUQCSA-N 2 2 262.361 0.018 20 0 CCADLP Nc1nc(N)c(CN[C@H]2CC[N@H+]3CCCC[C@H]23)c[nH+]1 ZINC000638368644 374965149 /nfs/dbraw/zinc/96/51/49/374965149.db2.gz LIRWYQVMSDXPFA-WDEREUQCSA-N 2 2 262.361 0.018 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@H](C[NH3+])C(F)(F)F)[nH+]1 ZINC000638398470 374993893 /nfs/dbraw/zinc/99/38/93/374993893.db2.gz ZRCNQJMGVBVPFI-SSDOTTSWSA-N 2 2 264.251 0.520 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000638407574 375005114 /nfs/dbraw/zinc/00/51/14/375005114.db2.gz BOLARFSUVGOWKX-UHFFFAOYSA-N 3 2 296.415 0.660 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000638407574 375005125 /nfs/dbraw/zinc/00/51/25/375005125.db2.gz BOLARFSUVGOWKX-UHFFFAOYSA-N 3 2 296.415 0.660 20 0 CCADLP [NH3+][C@H]1C[C@@H](C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000574574440 335031106 /nfs/dbraw/zinc/03/11/06/335031106.db2.gz DYGMTWPCYSTZAE-SCRDCRAPSA-N 2 2 299.440 0.048 20 0 CCADLP CO[C@H](C[NH2+]CC(=O)N1CC[NH+](C)CC1)CC(C)C ZINC000638440970 375043604 /nfs/dbraw/zinc/04/36/04/375043604.db2.gz YHFPQJNWHRSEBE-ZDUSSCGKSA-N 2 2 271.405 0.411 20 0 CCADLP CCc1c[nH]c(CC(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)[nH+]1 ZINC000638441369 375044806 /nfs/dbraw/zinc/04/48/06/375044806.db2.gz GGCAYLHXPZMPSO-YGRLFVJLSA-N 2 2 262.357 0.854 20 0 CCADLP CCc1c[nH]c(CC(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)[nH+]1 ZINC000638441367 375045163 /nfs/dbraw/zinc/04/51/63/375045163.db2.gz GGCAYLHXPZMPSO-IINYFYTJSA-N 2 2 262.357 0.854 20 0 CCADLP Cc1cc(NCCNC(=O)C(C)(C)C[NH3+])nc(C(C)C)[nH+]1 ZINC000638583078 375163238 /nfs/dbraw/zinc/16/32/38/375163238.db2.gz HFKPOMISIKCNEV-UHFFFAOYSA-N 2 2 293.415 0.843 20 0 CCADLP Cc1cc(NCCNC(=O)[C@H]2CC[NH2+]2)nc(C(C)C)[nH+]1 ZINC000638583932 375164905 /nfs/dbraw/zinc/16/49/05/375164905.db2.gz OMWIKWAZBGSDGT-LLVKDONJSA-N 2 2 277.372 0.220 20 0 CCADLP COc1cc(C[C@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)ccn1 ZINC000638596462 375176882 /nfs/dbraw/zinc/17/68/82/375176882.db2.gz KVDRZGYGQLSLSF-ZFWWWQNUSA-N 2 2 292.427 0.857 20 0 CCADLP COc1cc(C[C@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)ccn1 ZINC000638596462 375176889 /nfs/dbraw/zinc/17/68/89/375176889.db2.gz KVDRZGYGQLSLSF-ZFWWWQNUSA-N 2 2 292.427 0.857 20 0 CCADLP CCOC1CC(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000638596111 375177891 /nfs/dbraw/zinc/17/78/91/375177891.db2.gz GYFZWNCHEMGGEJ-ROKHWSDSSA-N 2 2 255.406 0.637 20 0 CCADLP CCOC1CC(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000638596111 375177897 /nfs/dbraw/zinc/17/78/97/375177897.db2.gz GYFZWNCHEMGGEJ-ROKHWSDSSA-N 2 2 255.406 0.637 20 0 CCADLP CO[C@@H](C[NH2+]C[C@@H]1C[N@H+](C)CCN1C)C1CCOCC1 ZINC000638596275 375177936 /nfs/dbraw/zinc/17/79/36/375177936.db2.gz IBNNGVZYBONDIK-CABCVRRESA-N 2 2 285.432 0.263 20 0 CCADLP CO[C@@H](C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C)C1CCOCC1 ZINC000638596275 375177938 /nfs/dbraw/zinc/17/79/38/375177938.db2.gz IBNNGVZYBONDIK-CABCVRRESA-N 2 2 285.432 0.263 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000638611676 375193721 /nfs/dbraw/zinc/19/37/21/375193721.db2.gz PNBIVDUXZYXGQA-RFGFWPKPSA-N 2 2 281.400 0.354 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000638611676 375193726 /nfs/dbraw/zinc/19/37/26/375193726.db2.gz PNBIVDUXZYXGQA-RFGFWPKPSA-N 2 2 281.400 0.354 20 0 CCADLP CC(C)([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000638732655 375326647 /nfs/dbraw/zinc/32/66/47/375326647.db2.gz YLSANBLYYTYVSE-CYBMUJFWSA-N 2 2 292.383 0.136 20 0 CCADLP CC(C)([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000638732655 375326652 /nfs/dbraw/zinc/32/66/52/375326652.db2.gz YLSANBLYYTYVSE-CYBMUJFWSA-N 2 2 292.383 0.136 20 0 CCADLP [NH3+]CCCOCCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000638663914 375269264 /nfs/dbraw/zinc/26/92/64/375269264.db2.gz UUCMPHWGFNAEBP-UHFFFAOYSA-N 2 2 289.339 0.363 20 0 CCADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000638739615 375330433 /nfs/dbraw/zinc/33/04/33/375330433.db2.gz ULMBAQBWFJFPRI-AGIUHOORSA-N 2 2 253.390 0.973 20 0 CCADLP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000638739615 375330438 /nfs/dbraw/zinc/33/04/38/375330438.db2.gz ULMBAQBWFJFPRI-AGIUHOORSA-N 2 2 253.390 0.973 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCNC(=O)C1 ZINC000638781055 375352884 /nfs/dbraw/zinc/35/28/84/375352884.db2.gz RHTPJRAPERRYJM-MDZLAQPJSA-N 2 2 251.374 0.727 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCNC(=O)C1 ZINC000638781055 375352888 /nfs/dbraw/zinc/35/28/88/375352888.db2.gz RHTPJRAPERRYJM-MDZLAQPJSA-N 2 2 251.374 0.727 20 0 CCADLP CO[C@H](C[NH2+]CC[NH+]1CCC(OC)CC1)[C@H]1CCOC1 ZINC000638900486 375438636 /nfs/dbraw/zinc/43/86/36/375438636.db2.gz PHVHCJBUMLTECT-DZGCQCFKSA-N 2 2 286.416 0.738 20 0 CCADLP Nc1ncc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)c(N)n1 ZINC000639043358 375542461 /nfs/dbraw/zinc/54/24/61/375542461.db2.gz SZQLVYINFBJWQH-NSHDSACASA-N 2 2 273.344 0.163 20 0 CCADLP Nc1ncc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)c(N)n1 ZINC000639043358 375542465 /nfs/dbraw/zinc/54/24/65/375542465.db2.gz SZQLVYINFBJWQH-NSHDSACASA-N 2 2 273.344 0.163 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cnn2c1CCCC2 ZINC000638978422 375493498 /nfs/dbraw/zinc/49/34/98/375493498.db2.gz CGRXMSIUMXLLPN-SNVBAGLBSA-N 2 2 265.361 0.437 20 0 CCADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cccnn1 ZINC000638983486 375495025 /nfs/dbraw/zinc/49/50/25/375495025.db2.gz IEJLKMMELQUXBB-UHFFFAOYSA-N 2 2 284.323 0.534 20 0 CCADLP Cc1ccnc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)n1 ZINC000638984129 375496656 /nfs/dbraw/zinc/49/66/56/375496656.db2.gz SGBOASHJDOJFLO-UHFFFAOYSA-N 2 2 298.350 0.842 20 0 CCADLP C[NH2+][C@@H](C)C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638985763 375497140 /nfs/dbraw/zinc/49/71/40/375497140.db2.gz NSLIFODHBZGPOS-JTQLQIEISA-N 3 2 263.345 0.038 20 0 CCADLP Cc1nc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c[nH]1 ZINC000638983533 375498415 /nfs/dbraw/zinc/49/84/15/375498415.db2.gz BSPLUQCCGIJWKM-UHFFFAOYSA-N 2 2 286.339 0.775 20 0 CCADLP CC[C@H]([NH3+])C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987735 375499164 /nfs/dbraw/zinc/49/91/64/375499164.db2.gz XSABOFAAIFCZFN-NSHDSACASA-N 3 2 263.345 0.167 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]C1CC(n2cccn2)C1 ZINC000639053607 375548981 /nfs/dbraw/zinc/54/89/81/375548981.db2.gz KGXJCJSZIDEJIR-UHFFFAOYSA-N 2 2 252.362 0.490 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]C1CC(n2cccn2)C1 ZINC000639053607 375548988 /nfs/dbraw/zinc/54/89/88/375548988.db2.gz KGXJCJSZIDEJIR-UHFFFAOYSA-N 2 2 252.362 0.490 20 0 CCADLP CN(CCC[NH+](C)C)CC(C)(C)[NH+]1CCOCC1 ZINC000639167954 375614769 /nfs/dbraw/zinc/61/47/69/375614769.db2.gz NPWBVPJIVBYAFT-UHFFFAOYSA-N 2 2 257.422 0.981 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cnc(N)nc2N)C1 ZINC000639170041 375615594 /nfs/dbraw/zinc/61/55/94/375615594.db2.gz OPCGKUJMWCBYMB-SNVBAGLBSA-N 2 2 264.377 0.122 20 0 CCADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cnc(N)nc2N)C1 ZINC000639170041 375615597 /nfs/dbraw/zinc/61/55/97/375615597.db2.gz OPCGKUJMWCBYMB-SNVBAGLBSA-N 2 2 264.377 0.122 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](N(C)Cc2c[nH+]c(N)nc2N)C1 ZINC000639243315 375658344 /nfs/dbraw/zinc/65/83/44/375658344.db2.gz GBGQJSVPYIUWFF-NSHDSACASA-N 2 2 264.377 0.216 20 0 CCADLP CC(C)[N@H+]1CC[C@H](N(C)Cc2c[nH+]c(N)nc2N)C1 ZINC000639243315 375658350 /nfs/dbraw/zinc/65/83/50/375658350.db2.gz GBGQJSVPYIUWFF-NSHDSACASA-N 2 2 264.377 0.216 20 0 CCADLP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000639217362 375637979 /nfs/dbraw/zinc/63/79/79/375637979.db2.gz GTZUZWSGGOQIJS-QLFBSQMISA-N 2 2 297.443 0.870 20 0 CCADLP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000639217362 375637983 /nfs/dbraw/zinc/63/79/83/375637983.db2.gz GTZUZWSGGOQIJS-QLFBSQMISA-N 2 2 297.443 0.870 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCC[C@H]1CCC[NH2+]1 ZINC000576639520 335229191 /nfs/dbraw/zinc/22/91/91/335229191.db2.gz BRFBAWZEFVHJIN-GFCCVEGCSA-N 2 2 250.346 0.922 20 0 CCADLP Cn1cc(CCC[NH2+]CC[N@@H+]2CC[C@H](O)C2)cn1 ZINC000639356975 375756616 /nfs/dbraw/zinc/75/66/16/375756616.db2.gz IRCZONUARRKCQU-ZDUSSCGKSA-N 2 2 252.362 0.009 20 0 CCADLP Cn1cc(CCC[NH2+]CC[N@H+]2CC[C@H](O)C2)cn1 ZINC000639356975 375756622 /nfs/dbraw/zinc/75/66/22/375756622.db2.gz IRCZONUARRKCQU-ZDUSSCGKSA-N 2 2 252.362 0.009 20 0 CCADLP C[C@@]12C[NH+](Cc3c[nH+]c4n3CCC4)C[C@@]1(C)C(=O)NC2=O ZINC000639365927 375761371 /nfs/dbraw/zinc/76/13/71/375761371.db2.gz STPVIZHNSFIQPS-GJZGRUSLSA-N 2 2 288.351 0.314 20 0 CCADLP c1nc2n(n1)[C@H](C[N@@H+]1CC[C@H](C[NH+]3CCOCC3)C1)CC2 ZINC000639496894 375809972 /nfs/dbraw/zinc/80/99/72/375809972.db2.gz IJECAYRJUDAEIQ-KGLIPLIRSA-N 2 2 291.399 0.420 20 0 CCADLP c1nc2n(n1)[C@H](C[N@H+]1CC[C@H](C[NH+]3CCOCC3)C1)CC2 ZINC000639496894 375809975 /nfs/dbraw/zinc/80/99/75/375809975.db2.gz IJECAYRJUDAEIQ-KGLIPLIRSA-N 2 2 291.399 0.420 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000639552683 375832744 /nfs/dbraw/zinc/83/27/44/375832744.db2.gz FVIBZKPMYFLRLX-JSGCOSHPSA-N 2 2 276.384 0.953 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000639552683 375832750 /nfs/dbraw/zinc/83/27/50/375832750.db2.gz FVIBZKPMYFLRLX-JSGCOSHPSA-N 2 2 276.384 0.953 20 0 CCADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2ccns2)CC1 ZINC000639557883 375836525 /nfs/dbraw/zinc/83/65/25/375836525.db2.gz SSCPUUYIJBOWFT-UHFFFAOYSA-N 2 2 297.424 0.802 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC([C@H]2CCOC2)C1 ZINC000656698726 412842460 /nfs/dbraw/zinc/84/24/60/412842460.db2.gz CITDBUVOUSXWTO-GXTWGEPZSA-N 2 2 256.390 0.656 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC([C@H]2CCOC2)C1 ZINC000656698726 412842462 /nfs/dbraw/zinc/84/24/62/412842462.db2.gz CITDBUVOUSXWTO-GXTWGEPZSA-N 2 2 256.390 0.656 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000639642864 375882034 /nfs/dbraw/zinc/88/20/34/375882034.db2.gz WJOJNBKRYACIJD-ZIAGYGMSSA-N 2 2 265.357 0.842 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000639642864 375882038 /nfs/dbraw/zinc/88/20/38/375882038.db2.gz WJOJNBKRYACIJD-ZIAGYGMSSA-N 2 2 265.357 0.842 20 0 CCADLP Cn1cnnc1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639704192 375929839 /nfs/dbraw/zinc/92/98/39/375929839.db2.gz PBHQHFRRVBXDPG-UHFFFAOYSA-N 2 2 272.356 0.922 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CC(=O)N2CCCCC2)C1 ZINC000639765116 375992462 /nfs/dbraw/zinc/99/24/62/375992462.db2.gz ITFCQSAFGGNICR-HNNXBMFYSA-N 2 2 283.416 0.387 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC000639765116 375992469 /nfs/dbraw/zinc/99/24/69/375992469.db2.gz ITFCQSAFGGNICR-HNNXBMFYSA-N 2 2 283.416 0.387 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CC(=O)N2CCCCCC2)C1 ZINC000639766040 375995112 /nfs/dbraw/zinc/99/51/12/375995112.db2.gz NEWBCJLBSIFTKG-INIZCTEOSA-N 2 2 297.443 0.778 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CC(=O)N2CCCCCC2)C1 ZINC000639766040 375995120 /nfs/dbraw/zinc/99/51/20/375995120.db2.gz NEWBCJLBSIFTKG-INIZCTEOSA-N 2 2 297.443 0.778 20 0 CCADLP Cc1[nH+]ccn1CCCN1CC[N@@H+](C)C[C@@H]1CO ZINC000639873299 376108027 /nfs/dbraw/zinc/10/80/27/376108027.db2.gz XJIINJWZTKVLLN-CYBMUJFWSA-N 2 2 252.362 0.190 20 0 CCADLP Cc1[nH+]ccn1CCCN1CC[N@H+](C)C[C@@H]1CO ZINC000639873299 376108033 /nfs/dbraw/zinc/10/80/33/376108033.db2.gz XJIINJWZTKVLLN-CYBMUJFWSA-N 2 2 252.362 0.190 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CCN(C)C[C@@H]1CO ZINC000639873299 376108041 /nfs/dbraw/zinc/10/80/41/376108041.db2.gz XJIINJWZTKVLLN-CYBMUJFWSA-N 2 2 252.362 0.190 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCN(C)C[C@@H]1CO ZINC000639873299 376108047 /nfs/dbraw/zinc/10/80/47/376108047.db2.gz XJIINJWZTKVLLN-CYBMUJFWSA-N 2 2 252.362 0.190 20 0 CCADLP Cc1nnc(N2CC[NH+](CCn3cc[nH+]c3C)CC2)n1C ZINC000639976699 376165404 /nfs/dbraw/zinc/16/54/04/376165404.db2.gz GAVGDCNTGJDYGH-UHFFFAOYSA-N 2 2 289.387 0.451 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(CCF)CC2)CC1 ZINC000639988156 376169466 /nfs/dbraw/zinc/16/94/66/376169466.db2.gz XTZGGERKPMIQKP-UHFFFAOYSA-N 2 2 271.380 0.832 20 0 CCADLP C[C@@H]1C[C@@H](C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000640051578 376216618 /nfs/dbraw/zinc/21/66/18/376216618.db2.gz QXLVKXXVZSQCMM-KGLIPLIRSA-N 2 2 283.416 0.507 20 0 CCADLP CCc1ccc(C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)nc1 ZINC000640051735 376219366 /nfs/dbraw/zinc/21/93/66/376219366.db2.gz YBMQHEJMATTZHE-UHFFFAOYSA-N 2 2 290.411 0.850 20 0 CCADLP CCc1ccc(C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)nc1 ZINC000640051735 376219372 /nfs/dbraw/zinc/21/93/72/376219372.db2.gz YBMQHEJMATTZHE-UHFFFAOYSA-N 2 2 290.411 0.850 20 0 CCADLP C[N@H+](CCOCC(F)(F)F)CC(=O)N1CC[NH+](C)CC1 ZINC000640058981 376223198 /nfs/dbraw/zinc/22/31/98/376223198.db2.gz MRYGKXCIQOLZLW-UHFFFAOYSA-N 2 2 297.321 0.271 20 0 CCADLP C[N@@H+](CCOCC(F)(F)F)CC(=O)N1CC[NH+](C)CC1 ZINC000640058981 376223206 /nfs/dbraw/zinc/22/32/06/376223206.db2.gz MRYGKXCIQOLZLW-UHFFFAOYSA-N 2 2 297.321 0.271 20 0 CCADLP C[C@H](CC(=O)N[C@H](CO)C[NH+]1CCCC1)n1cc[nH+]c1 ZINC000640319594 376306679 /nfs/dbraw/zinc/30/66/79/376306679.db2.gz AVGILYJXTXWTFJ-OLZOCXBDSA-N 2 2 280.372 0.407 20 0 CCADLP O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000640320345 376308218 /nfs/dbraw/zinc/30/82/18/376308218.db2.gz PLVTVXZTKFPLJM-CHWSQXEVSA-N 2 2 292.383 0.018 20 0 CCADLP C[N@@H+]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)[C@@H](C[NH3+])C1 ZINC000656785424 412851761 /nfs/dbraw/zinc/85/17/61/412851761.db2.gz HERDPJWPUCQUQG-INIZCTEOSA-N 3 2 274.412 0.407 20 0 CCADLP C[N@H+]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)[C@@H](C[NH3+])C1 ZINC000656785424 412851763 /nfs/dbraw/zinc/85/17/63/412851763.db2.gz HERDPJWPUCQUQG-INIZCTEOSA-N 3 2 274.412 0.407 20 0 CCADLP Cn1cc[nH+]c1Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000640952940 376636816 /nfs/dbraw/zinc/63/68/16/376636816.db2.gz KJFQEEQEEGOAJN-NSHDSACASA-N 2 2 260.345 0.602 20 0 CCADLP Cc1cc[nH+]cc1Cn1cc(CN(C)CCC[NH3+])nn1 ZINC000641070491 376739188 /nfs/dbraw/zinc/73/91/88/376739188.db2.gz GYDXFHWXFZYCQJ-UHFFFAOYSA-N 2 2 274.372 0.810 20 0 CCADLP COc1cc[nH+]cc1Cn1cc(CC[NH+](C)C)nn1 ZINC000641168062 376836514 /nfs/dbraw/zinc/83/65/14/376836514.db2.gz COJLJWFCQVWJOL-UHFFFAOYSA-N 2 2 261.329 0.834 20 0 CCADLP CC(C)Oc1cc[nH+]c(Cn2cc([C@H]([NH3+])CO)nn2)c1 ZINC000641201999 376877703 /nfs/dbraw/zinc/87/77/03/376877703.db2.gz OXYTVNVTQNGZOP-GFCCVEGCSA-N 2 2 277.328 0.501 20 0 CCADLP CC(C)n1ccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)n1 ZINC000569213768 291658721 /nfs/dbraw/zinc/65/87/21/291658721.db2.gz BVWDQGJVVYKFTA-HNNXBMFYSA-N 2 2 295.431 0.162 20 0 CCADLP C[C@H]([NH3+])CNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000641470301 377152134 /nfs/dbraw/zinc/15/21/34/377152134.db2.gz DVPMVCUJXVDTGL-NSHDSACASA-N 2 2 263.345 0.260 20 0 CCADLP C[C@@H]([NH3+])CNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000641479693 377162399 /nfs/dbraw/zinc/16/23/99/377162399.db2.gz XLPBKDMTTITSJL-LLVKDONJSA-N 2 2 282.413 0.923 20 0 CCADLP COc1cc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)on1 ZINC000641800091 377468801 /nfs/dbraw/zinc/46/88/01/377468801.db2.gz VKEUUKUBDOMZDX-NSHDSACASA-N 2 2 292.343 0.571 20 0 CCADLP COc1cc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)on1 ZINC000641800091 377468806 /nfs/dbraw/zinc/46/88/06/377468806.db2.gz VKEUUKUBDOMZDX-NSHDSACASA-N 2 2 292.343 0.571 20 0 CCADLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1nnnn1CC(F)(F)F ZINC000641800869 377470831 /nfs/dbraw/zinc/47/08/31/377470831.db2.gz HOXFCBUYSRAWRO-BQBZGAKWSA-N 2 2 278.282 0.451 20 0 CCADLP CN(C(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)c1nccs1 ZINC000641803880 377474089 /nfs/dbraw/zinc/47/40/89/377474089.db2.gz VUFNNVANZBYIDE-RKDXNWHRSA-N 2 2 268.386 0.821 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)[C@@H]1C ZINC000641804516 377476891 /nfs/dbraw/zinc/47/68/91/377476891.db2.gz CFKJRPBMFCPLLP-AAVRWANBSA-N 3 2 267.417 0.955 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)[C@@H]1C ZINC000641804516 377476901 /nfs/dbraw/zinc/47/69/01/377476901.db2.gz CFKJRPBMFCPLLP-AAVRWANBSA-N 3 2 267.417 0.955 20 0 CCADLP COC[C@@H](C(N)=O)[N@H+](C)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000641807934 377480558 /nfs/dbraw/zinc/48/05/58/377480558.db2.gz VXIMIOKDZIBBDY-JSGCOSHPSA-N 2 2 295.383 0.170 20 0 CCADLP COC[C@@H](C(N)=O)[N@@H+](C)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000641807934 377480564 /nfs/dbraw/zinc/48/05/64/377480564.db2.gz VXIMIOKDZIBBDY-JSGCOSHPSA-N 2 2 295.383 0.170 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@H](c1ccco1)[NH+](C)C ZINC000422964717 249011904 /nfs/dbraw/zinc/01/19/04/249011904.db2.gz MPHNJLBLRZSLQR-OUCADQQQSA-N 2 2 295.383 0.766 20 0 CCADLP O=C(/C=C/c1[nH]cc[nH+]1)NCC[N@@H+]1CCCOCC1 ZINC000493197388 249085746 /nfs/dbraw/zinc/08/57/46/249085746.db2.gz YGYJCCXROHQBEG-NSCUHMNNSA-N 2 2 264.329 0.261 20 0 CCADLP O=C(/C=C/c1[nH]cc[nH+]1)NCC[N@H+]1CCCOCC1 ZINC000493197388 249085748 /nfs/dbraw/zinc/08/57/48/249085748.db2.gz YGYJCCXROHQBEG-NSCUHMNNSA-N 2 2 264.329 0.261 20 0 CCADLP C[N@H+](CCO)C1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492760927 249083683 /nfs/dbraw/zinc/08/36/83/249083683.db2.gz FKGFYHZODMSPLT-NSCUHMNNSA-N 2 2 278.356 0.338 20 0 CCADLP C[N@@H+](CCO)C1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492760927 249083684 /nfs/dbraw/zinc/08/36/84/249083684.db2.gz FKGFYHZODMSPLT-NSCUHMNNSA-N 2 2 278.356 0.338 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@H](O)Cn2cccn2)C1 ZINC000514619847 249094093 /nfs/dbraw/zinc/09/40/93/249094093.db2.gz RYOBQIOQVUVXFG-STQMWFEESA-N 2 2 275.356 0.467 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000514619847 249094095 /nfs/dbraw/zinc/09/40/95/249094095.db2.gz RYOBQIOQVUVXFG-STQMWFEESA-N 2 2 275.356 0.467 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@H]2CC23CC[NH2+]CC3)CCO1 ZINC000514863984 249109253 /nfs/dbraw/zinc/10/92/53/249109253.db2.gz YWFYATARNFLNAR-QWHCGFSZSA-N 2 2 281.400 0.213 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]2CC23CC[NH2+]CC3)CCO1 ZINC000514863984 249109256 /nfs/dbraw/zinc/10/92/56/249109256.db2.gz YWFYATARNFLNAR-QWHCGFSZSA-N 2 2 281.400 0.213 20 0 CCADLP CC[N@H+](C)C[C@@H](O)CN(C)C(C)(C)C[NH+]1CCOCC1 ZINC000516191480 249155143 /nfs/dbraw/zinc/15/51/43/249155143.db2.gz FZEANXODUNNADX-CQSZACIVSA-N 2 2 287.448 0.342 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)CN(C)C(C)(C)C[NH+]1CCOCC1 ZINC000516191480 249155145 /nfs/dbraw/zinc/15/51/45/249155145.db2.gz FZEANXODUNNADX-CQSZACIVSA-N 2 2 287.448 0.342 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)C(C)(C)CN1CCOCC1 ZINC000516191480 249155147 /nfs/dbraw/zinc/15/51/47/249155147.db2.gz FZEANXODUNNADX-CQSZACIVSA-N 2 2 287.448 0.342 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)(C)CN1CCOCC1 ZINC000516191480 249155149 /nfs/dbraw/zinc/15/51/49/249155149.db2.gz FZEANXODUNNADX-CQSZACIVSA-N 2 2 287.448 0.342 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)C(C)(C)CN1CCOCC1 ZINC000516191480 249155152 /nfs/dbraw/zinc/15/51/52/249155152.db2.gz FZEANXODUNNADX-CQSZACIVSA-N 2 2 287.448 0.342 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)(C)CN1CCOCC1 ZINC000516191480 249155153 /nfs/dbraw/zinc/15/51/53/249155153.db2.gz FZEANXODUNNADX-CQSZACIVSA-N 2 2 287.448 0.342 20 0 CCADLP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000516376690 249161793 /nfs/dbraw/zinc/16/17/93/249161793.db2.gz ZFWBYIJGGNGASN-LBPRGKRZSA-N 2 2 291.399 0.979 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(CC(=O)NC)CC1 ZINC000517008545 249197643 /nfs/dbraw/zinc/19/76/43/249197643.db2.gz VOMMKUIVAGUGHS-CYBMUJFWSA-N 2 2 271.405 0.147 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CC(=O)NC)CC1 ZINC000517008545 249197646 /nfs/dbraw/zinc/19/76/46/249197646.db2.gz VOMMKUIVAGUGHS-CYBMUJFWSA-N 2 2 271.405 0.147 20 0 CCADLP C[C@@H]1CN(c2cc(-n3cccn3)nc(N)[nH+]2)[C@@H](C)C[NH2+]1 ZINC000643023151 377692450 /nfs/dbraw/zinc/69/24/50/377692450.db2.gz XHBZUWJRJBMFPV-ZJUUUORDSA-N 2 2 273.344 0.261 20 0 CCADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCc1nnnn1-c1ccccc1 ZINC000643075458 377712903 /nfs/dbraw/zinc/71/29/03/377712903.db2.gz SKZNVAYWPVIHJT-AAEUAGOBSA-N 2 2 272.356 0.626 20 0 CCADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCc1nnnn1-c1ccccc1 ZINC000643075458 377712908 /nfs/dbraw/zinc/71/29/08/377712908.db2.gz SKZNVAYWPVIHJT-AAEUAGOBSA-N 2 2 272.356 0.626 20 0 CCADLP Cn1c[nH+]cc1CCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000574700975 335041202 /nfs/dbraw/zinc/04/12/02/335041202.db2.gz NLYKUJIAKNCJSX-UHFFFAOYSA-N 3 2 293.415 0.059 20 0 CCADLP Cn1c[nH+]cc1CCCN1CCN(C(=O)C[NH+](C)C)CC1 ZINC000574700975 335041203 /nfs/dbraw/zinc/04/12/03/335041203.db2.gz NLYKUJIAKNCJSX-UHFFFAOYSA-N 2 2 293.415 0.059 20 0 CCADLP C[C@H]([C@H](C)NC(=O)CC(F)(F)C[NH3+])[NH+]1CCOCC1 ZINC000569617249 291695161 /nfs/dbraw/zinc/69/51/61/291695161.db2.gz VREQGNIMESLHOE-VHSXEESVSA-N 2 2 279.331 0.196 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000278811108 194164342 /nfs/dbraw/zinc/16/43/42/194164342.db2.gz IBFJHKZSTDDCDV-UHFFFAOYSA-N 2 2 294.399 0.830 20 0 CCADLP CC1(C)NC(=O)CC[C@@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000570229448 291743228 /nfs/dbraw/zinc/74/32/28/291743228.db2.gz SYXUOJQLVPATQJ-QWRGUYRKSA-N 2 2 262.357 0.845 20 0 CCADLP O=C(NCCc1cn2ccccc2[nH+]1)N1CCC[NH2+]CC1 ZINC000334889832 207250080 /nfs/dbraw/zinc/25/00/80/207250080.db2.gz HBNGMDDKURHMNY-UHFFFAOYSA-N 2 2 287.367 0.882 20 0 CCADLP O=C(NCc1cn2ccccc2[nH+]1)N1CCC[NH2+]CC1 ZINC000334908788 207275782 /nfs/dbraw/zinc/27/57/82/207275782.db2.gz OFDVQEVENGNKGN-UHFFFAOYSA-N 2 2 273.340 0.839 20 0 CCADLP [NH3+][C@@H](C(=O)N1CCC[C@@H]([NH3+])C1)c1c(F)cccc1F ZINC000334955666 207352191 /nfs/dbraw/zinc/35/21/91/207352191.db2.gz OUORZXRXNQQCHG-PRHODGIISA-N 2 2 269.295 0.914 20 0 CCADLP Cc1c[nH]c(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)n1 ZINC000657349358 412965312 /nfs/dbraw/zinc/96/53/12/412965312.db2.gz RJMPFMGTUKJULP-GFCCVEGCSA-N 2 2 251.378 0.444 20 0 CCADLP C[C@H]1CN(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)CC[NH2+]1 ZINC000334966176 207378195 /nfs/dbraw/zinc/37/81/95/207378195.db2.gz GGJRTPMFRWHZEV-VHSXEESVSA-N 2 2 276.331 0.235 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](OC)C2)CC1 ZINC000246083617 285003180 /nfs/dbraw/zinc/00/31/80/285003180.db2.gz FUKGPANROQJKBT-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](OC)C2)CC1 ZINC000246083617 285003182 /nfs/dbraw/zinc/00/31/82/285003182.db2.gz FUKGPANROQJKBT-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CCOCCNC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246333016 285015436 /nfs/dbraw/zinc/01/54/36/285015436.db2.gz DSJVMBNXINYOHD-STQMWFEESA-N 2 2 271.405 0.554 20 0 CCADLP CCOCCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246333016 285015437 /nfs/dbraw/zinc/01/54/37/285015437.db2.gz DSJVMBNXINYOHD-STQMWFEESA-N 2 2 271.405 0.554 20 0 CCADLP CCOCCNC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246333016 285015439 /nfs/dbraw/zinc/01/54/39/285015439.db2.gz DSJVMBNXINYOHD-STQMWFEESA-N 2 2 271.405 0.554 20 0 CCADLP CCOCCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246333016 285015440 /nfs/dbraw/zinc/01/54/40/285015440.db2.gz DSJVMBNXINYOHD-STQMWFEESA-N 2 2 271.405 0.554 20 0 CCADLP C[NH2+][C@H](CC(C)(C)C)C(=O)N=c1ccn(CC[NH+](C)C)[nH]1 ZINC000449341450 533007158 /nfs/dbraw/zinc/00/71/58/533007158.db2.gz UAHDODNSDSEUHT-GFCCVEGCSA-N 2 2 295.431 0.829 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC000247697099 285058839 /nfs/dbraw/zinc/05/88/39/285058839.db2.gz WWXGPILPKLVTIS-STQMWFEESA-N 2 2 253.390 0.881 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC000247697099 285058840 /nfs/dbraw/zinc/05/88/40/285058840.db2.gz WWXGPILPKLVTIS-STQMWFEESA-N 2 2 253.390 0.881 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CCNC(=O)C(C)(C)C)n1C ZINC000657350356 412972165 /nfs/dbraw/zinc/97/21/65/412972165.db2.gz VLTLSIGIDFPKSN-UHFFFAOYSA-N 2 2 252.362 0.980 20 0 CCADLP C[C@]1(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CC[NH2+]C1 ZINC000335283710 208099809 /nfs/dbraw/zinc/09/98/09/208099809.db2.gz PQMGQKHIDVIYBB-ONGXEEELSA-N 2 2 261.316 0.347 20 0 CCADLP NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657372032 412973905 /nfs/dbraw/zinc/97/39/05/412973905.db2.gz ZUBVVMNZAAFOQB-MNOVXSKESA-N 2 2 262.357 0.963 20 0 CCADLP O[C@H](C[NH2+]Cc1c[nH+]c2n1CCC2)C1CCOCC1 ZINC000657368327 412975159 /nfs/dbraw/zinc/97/51/59/412975159.db2.gz OKZTXGFYDBBJBO-CYBMUJFWSA-N 2 2 265.357 0.706 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1C)[NH+]1CCSCC1 ZINC000335347321 208242534 /nfs/dbraw/zinc/24/25/34/208242534.db2.gz GUNXPUCUOLROFF-NWDGAFQWSA-N 2 2 271.430 0.586 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C)[NH+]1CCSCC1 ZINC000335347321 208242538 /nfs/dbraw/zinc/24/25/38/208242538.db2.gz GUNXPUCUOLROFF-NWDGAFQWSA-N 2 2 271.430 0.586 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cnn2c1CCC2 ZINC000657416846 412985811 /nfs/dbraw/zinc/98/58/11/412985811.db2.gz XUHWHYBIGHJFLG-ZDUSSCGKSA-N 2 2 252.362 0.232 20 0 CCADLP COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000574809195 335049017 /nfs/dbraw/zinc/04/90/17/335049017.db2.gz QENWPZXVUVSGFB-XQQFMLRXSA-N 2 2 297.399 0.067 20 0 CCADLP COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000574809195 335049018 /nfs/dbraw/zinc/04/90/18/335049018.db2.gz QENWPZXVUVSGFB-XQQFMLRXSA-N 2 2 297.399 0.067 20 0 CCADLP C[C@H]1C[N@H+](CCN2CC[NH+](CC(C)(C)O)[C@@H](C)C2)CCO1 ZINC000249217394 285106291 /nfs/dbraw/zinc/10/62/91/285106291.db2.gz FGSAWFOVILRSCD-GJZGRUSLSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@H]1C[N@@H+](CCN2CC[NH+](CC(C)(C)O)[C@@H](C)C2)CCO1 ZINC000249217394 285106292 /nfs/dbraw/zinc/10/62/92/285106292.db2.gz FGSAWFOVILRSCD-GJZGRUSLSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@H]1C[NH+](CCN2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CCO1 ZINC000249217394 285106294 /nfs/dbraw/zinc/10/62/94/285106294.db2.gz FGSAWFOVILRSCD-GJZGRUSLSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@H]1C[NH+](CCN2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CCO1 ZINC000249217394 285106295 /nfs/dbraw/zinc/10/62/95/285106295.db2.gz FGSAWFOVILRSCD-GJZGRUSLSA-N 2 2 299.459 0.484 20 0 CCADLP C[NH+](C)CCOCC[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657436668 412987023 /nfs/dbraw/zinc/98/70/23/412987023.db2.gz FPGCJDISASDXQC-UHFFFAOYSA-N 2 2 270.381 0.096 20 0 CCADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CC[C@H](C(=O)N(C)C)O2)n1C ZINC000657426495 412988333 /nfs/dbraw/zinc/98/83/33/412988333.db2.gz GJFGNUAEZCRDTE-CHWSQXEVSA-N 2 2 280.372 0.454 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(CCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000249477055 285119008 /nfs/dbraw/zinc/11/90/08/285119008.db2.gz ACLNHWFOXOAWNC-GJZGRUSLSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(CCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000249477055 285119011 /nfs/dbraw/zinc/11/90/11/285119011.db2.gz ACLNHWFOXOAWNC-GJZGRUSLSA-N 2 2 285.432 0.096 20 0 CCADLP COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657440038 412992654 /nfs/dbraw/zinc/99/26/54/412992654.db2.gz LFTCAUQIXDPPLI-UONOGXRCSA-N 2 2 295.383 0.739 20 0 CCADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000289299204 197287937 /nfs/dbraw/zinc/28/79/37/197287937.db2.gz IAEHSFITZDMVKF-NWDGAFQWSA-N 2 2 290.367 0.489 20 0 CCADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC000289299204 197287938 /nfs/dbraw/zinc/28/79/38/197287938.db2.gz IAEHSFITZDMVKF-NWDGAFQWSA-N 2 2 290.367 0.489 20 0 CCADLP COCC[NH+]1CCN(C(=O)c2ccccc2CC[NH3+])CC1 ZINC000572373676 291875753 /nfs/dbraw/zinc/87/57/53/291875753.db2.gz KYQJAHHCVMODFM-UHFFFAOYSA-N 2 2 291.395 0.592 20 0 CCADLP CO[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)CC[C@@H]1C ZINC000251983163 285151087 /nfs/dbraw/zinc/15/10/87/285151087.db2.gz VMFNRVUEADYTOP-QWHCGFSZSA-N 2 2 269.389 0.117 20 0 CCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CC[C@@H]1C ZINC000251983163 285151088 /nfs/dbraw/zinc/15/10/88/285151088.db2.gz VMFNRVUEADYTOP-QWHCGFSZSA-N 2 2 269.389 0.117 20 0 CCADLP CCN1C[C@@H](C[NH2+]Cc2c[nH+]c3n2CCC3)CC1=O ZINC000657502411 413010408 /nfs/dbraw/zinc/01/04/08/413010408.db2.gz KYTJNRXYORYSER-LLVKDONJSA-N 2 2 262.357 0.787 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)Cc1occc1C ZINC000394034732 285213455 /nfs/dbraw/zinc/21/34/55/285213455.db2.gz FYDRZQOZQXLYCO-CYBMUJFWSA-N 2 2 270.373 0.959 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1occc1C ZINC000394034732 285213462 /nfs/dbraw/zinc/21/34/62/285213462.db2.gz FYDRZQOZQXLYCO-CYBMUJFWSA-N 2 2 270.373 0.959 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)Cc1occc1C ZINC000394034732 285213465 /nfs/dbraw/zinc/21/34/65/285213465.db2.gz FYDRZQOZQXLYCO-CYBMUJFWSA-N 2 2 270.373 0.959 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1occc1C ZINC000394034732 285213470 /nfs/dbraw/zinc/21/34/70/285213470.db2.gz FYDRZQOZQXLYCO-CYBMUJFWSA-N 2 2 270.373 0.959 20 0 CCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CC[C@H](COC)OC)C1 ZINC000657552383 413021275 /nfs/dbraw/zinc/02/12/75/413021275.db2.gz CZHJXYVAOYTUSE-CHWSQXEVSA-N 2 2 260.378 0.348 20 0 CCADLP COCC[N@H+]1CC[C@@H]([NH2+]CC[C@H](COC)OC)C1 ZINC000657552383 413021282 /nfs/dbraw/zinc/02/12/82/413021282.db2.gz CZHJXYVAOYTUSE-CHWSQXEVSA-N 2 2 260.378 0.348 20 0 CCADLP CCN1CC[NH+](CCC(=O)N2C[C@@H](C)[NH+](C)[C@H](C)C2)CC1 ZINC000358667691 285315595 /nfs/dbraw/zinc/31/55/95/285315595.db2.gz RCTUPOJTVVDUJB-HUUCEWRRSA-N 2 2 296.459 0.565 20 0 CCADLP CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657606250 413037331 /nfs/dbraw/zinc/03/73/31/413037331.db2.gz SFJJSQLCOKYJGY-QNWHQSFQSA-N 2 2 288.413 0.015 20 0 CCADLP CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657606250 413037337 /nfs/dbraw/zinc/03/73/37/413037337.db2.gz SFJJSQLCOKYJGY-QNWHQSFQSA-N 2 2 288.413 0.015 20 0 CCADLP C[C@@H](C(N)=O)[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000286738963 388845288 /nfs/dbraw/zinc/84/52/88/388845288.db2.gz KQMIJIKEVYGQHO-SGMGOOAPSA-N 2 2 293.415 0.609 20 0 CCADLP C[C@@H](C(N)=O)[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000286738963 388845295 /nfs/dbraw/zinc/84/52/95/388845295.db2.gz KQMIJIKEVYGQHO-SGMGOOAPSA-N 2 2 293.415 0.609 20 0 CCADLP C[C@@H](C(N)=O)[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000286738963 388845299 /nfs/dbraw/zinc/84/52/99/388845299.db2.gz KQMIJIKEVYGQHO-SGMGOOAPSA-N 2 2 293.415 0.609 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC000038047567 388850069 /nfs/dbraw/zinc/85/00/69/388850069.db2.gz ZRSCHXYBRBZJRH-GRYCIOLGSA-N 2 2 262.419 0.739 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC000038047567 388850071 /nfs/dbraw/zinc/85/00/71/388850071.db2.gz ZRSCHXYBRBZJRH-GRYCIOLGSA-N 2 2 262.419 0.739 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)NCc1c[nH+]cn1C ZINC000290683168 388910505 /nfs/dbraw/zinc/91/05/05/388910505.db2.gz IGFFMJLGLSGDRP-UHFFFAOYSA-N 2 2 283.376 0.188 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)NCc1c[nH+]cn1C ZINC000290683168 388910506 /nfs/dbraw/zinc/91/05/06/388910506.db2.gz IGFFMJLGLSGDRP-UHFFFAOYSA-N 2 2 283.376 0.188 20 0 CCADLP CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976803 388940712 /nfs/dbraw/zinc/94/07/12/388940712.db2.gz QTJBUJXDJAPFPI-QWHCGFSZSA-N 2 2 269.389 0.293 20 0 CCADLP Cc1cc(NC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc[nH+]1 ZINC000189256291 388952529 /nfs/dbraw/zinc/95/25/29/388952529.db2.gz UPZVZWRPPHRQJN-LBPRGKRZSA-N 2 2 278.356 0.920 20 0 CCADLP Cc1cc(NC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc[nH+]1 ZINC000189256291 388952534 /nfs/dbraw/zinc/95/25/34/388952534.db2.gz UPZVZWRPPHRQJN-LBPRGKRZSA-N 2 2 278.356 0.920 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@@H](CO)OC(C)(C)C1 ZINC000336783471 389017693 /nfs/dbraw/zinc/01/76/93/389017693.db2.gz STAMLZNNRAAMBZ-STQMWFEESA-N 2 2 256.390 0.942 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@@H](CO)OC(C)(C)C1 ZINC000336783471 389017694 /nfs/dbraw/zinc/01/76/94/389017694.db2.gz STAMLZNNRAAMBZ-STQMWFEESA-N 2 2 256.390 0.942 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000336783471 389017696 /nfs/dbraw/zinc/01/76/96/389017696.db2.gz STAMLZNNRAAMBZ-STQMWFEESA-N 2 2 256.390 0.942 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000336783471 389017698 /nfs/dbraw/zinc/01/76/98/389017698.db2.gz STAMLZNNRAAMBZ-STQMWFEESA-N 2 2 256.390 0.942 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+](C)C[C@@H]1CCCCO1)C1CC1 ZINC000336792930 389019941 /nfs/dbraw/zinc/01/99/41/389019941.db2.gz UTXASMLEJNAHMM-KBPBESRZSA-N 2 2 256.390 0.942 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+](C)C[C@@H]1CCCCO1)C1CC1 ZINC000336792930 389019945 /nfs/dbraw/zinc/01/99/45/389019945.db2.gz UTXASMLEJNAHMM-KBPBESRZSA-N 2 2 256.390 0.942 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C[C@@H]1CCCCO1 ZINC000336792930 389019946 /nfs/dbraw/zinc/01/99/46/389019946.db2.gz UTXASMLEJNAHMM-KBPBESRZSA-N 2 2 256.390 0.942 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C[C@@H]1CCCCO1 ZINC000336792930 389019948 /nfs/dbraw/zinc/01/99/48/389019948.db2.gz UTXASMLEJNAHMM-KBPBESRZSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC[NH+](C[C@H]3COCCO3)CC2)CCO1 ZINC000336823199 389023766 /nfs/dbraw/zinc/02/37/66/389023766.db2.gz OOHCFLNUMPJUAG-HIFRSBDPSA-N 2 2 284.400 0.587 20 0 CCADLP C[C@@H]1C[N@H+](C2CC[NH+](C[C@H]3COCCO3)CC2)CCO1 ZINC000336823199 389023769 /nfs/dbraw/zinc/02/37/69/389023769.db2.gz OOHCFLNUMPJUAG-HIFRSBDPSA-N 2 2 284.400 0.587 20 0 CCADLP C[C@@H]1C[N@H+](CCN2C[C@H](C)[NH+](C)C[C@@H]2C)CCO1 ZINC000337320943 389059310 /nfs/dbraw/zinc/05/93/10/389059310.db2.gz PNIHQJIGZALRTP-MELADBBJSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2C[C@H](C)[NH+](C)C[C@@H]2C)CCO1 ZINC000337320943 389059311 /nfs/dbraw/zinc/05/93/11/389059311.db2.gz PNIHQJIGZALRTP-MELADBBJSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1C[NH+](CCN2C[C@H](C)[N@H+](C)C[C@@H]2C)CCO1 ZINC000337320943 389059312 /nfs/dbraw/zinc/05/93/12/389059312.db2.gz PNIHQJIGZALRTP-MELADBBJSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1C[NH+](CCN2C[C@H](C)[N@@H+](C)C[C@@H]2C)CCO1 ZINC000337320943 389059313 /nfs/dbraw/zinc/05/93/13/389059313.db2.gz PNIHQJIGZALRTP-MELADBBJSA-N 2 2 255.406 0.732 20 0 CCADLP NC(=O)c1c[nH+]ccc1N1CC[NH+](Cc2ccncc2)CC1 ZINC000302035477 389062321 /nfs/dbraw/zinc/06/23/21/389062321.db2.gz PCYQTNAYDXRIIX-UHFFFAOYSA-N 2 2 297.362 0.898 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+]CC2(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000355427535 389076643 /nfs/dbraw/zinc/07/66/43/389076643.db2.gz XQBMDIQSIHUIFP-RYUDHWBXSA-N 2 2 274.430 0.884 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+]CC2(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000355427535 389076647 /nfs/dbraw/zinc/07/66/47/389076647.db2.gz XQBMDIQSIHUIFP-RYUDHWBXSA-N 2 2 274.430 0.884 20 0 CCADLP C[N@H+](CCNC(=O)C(C)(C)[NH+]1CCOCC1)C1CC1 ZINC000338164340 389082074 /nfs/dbraw/zinc/08/20/74/389082074.db2.gz XYLKQKXZVZWIDC-UHFFFAOYSA-N 2 2 269.389 0.308 20 0 CCADLP C[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCOCC1)C1CC1 ZINC000338164340 389082077 /nfs/dbraw/zinc/08/20/77/389082077.db2.gz XYLKQKXZVZWIDC-UHFFFAOYSA-N 2 2 269.389 0.308 20 0 CCADLP OCCOCC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000304340169 389083117 /nfs/dbraw/zinc/08/31/17/389083117.db2.gz WUDNOARGWVTTEY-AWEZNQCLSA-N 2 2 272.389 0.040 20 0 CCADLP OCCOCC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000304340169 389083118 /nfs/dbraw/zinc/08/31/18/389083118.db2.gz WUDNOARGWVTTEY-AWEZNQCLSA-N 2 2 272.389 0.040 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338171745 389083343 /nfs/dbraw/zinc/08/33/43/389083343.db2.gz CCOQPPJTXSRQPK-QWHCGFSZSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338171745 389083344 /nfs/dbraw/zinc/08/33/44/389083344.db2.gz CCOQPPJTXSRQPK-QWHCGFSZSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000355483795 389083758 /nfs/dbraw/zinc/08/37/58/389083758.db2.gz TZYLNSSSBXXQFI-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCOCC2)CC[N@H+]1C ZINC000338174502 389084300 /nfs/dbraw/zinc/08/43/00/389084300.db2.gz LXQJIFWINJLQKQ-CHWSQXEVSA-N 2 2 283.416 0.696 20 0 CCADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@H]21 ZINC000355039263 389037243 /nfs/dbraw/zinc/03/72/43/389037243.db2.gz RWIOPXAIDMWZBJ-YNEHKIRRSA-N 2 2 290.367 0.302 20 0 CCADLP C[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@H]21 ZINC000355039263 389037246 /nfs/dbraw/zinc/03/72/46/389037246.db2.gz RWIOPXAIDMWZBJ-YNEHKIRRSA-N 2 2 290.367 0.302 20 0 CCADLP CN(C)c1ccc(CNC(=O)N2CCC[N@H+](C)CC2)c[nH+]1 ZINC000298657834 389038199 /nfs/dbraw/zinc/03/81/99/389038199.db2.gz MQFOUICWXKJMIQ-UHFFFAOYSA-N 2 2 291.399 0.995 20 0 CCADLP CN(C)c1ccc(CNC(=O)N2CCC[N@@H+](C)CC2)c[nH+]1 ZINC000298657834 389038206 /nfs/dbraw/zinc/03/82/06/389038206.db2.gz MQFOUICWXKJMIQ-UHFFFAOYSA-N 2 2 291.399 0.995 20 0 CCADLP CCOC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107369245 389096255 /nfs/dbraw/zinc/09/62/55/389096255.db2.gz KGNBRZSELYRQAB-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CCOC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107369245 389096258 /nfs/dbraw/zinc/09/62/58/389096258.db2.gz KGNBRZSELYRQAB-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)NC2CCCCC2)CCCO1 ZINC000313330488 389112423 /nfs/dbraw/zinc/11/24/23/389112423.db2.gz AGDUMHOVUUAQOU-CYBMUJFWSA-N 2 2 269.389 0.485 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NC2CCCCC2)CCCO1 ZINC000313330488 389112426 /nfs/dbraw/zinc/11/24/26/389112426.db2.gz AGDUMHOVUUAQOU-CYBMUJFWSA-N 2 2 269.389 0.485 20 0 CCADLP Cn1c[nH+]c(CC[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC000313266118 389112652 /nfs/dbraw/zinc/11/26/52/389112652.db2.gz QCJIWOFVVBMPMZ-ZDUSSCGKSA-N 3 2 252.362 0.009 20 0 CCADLP COc1ccncc1C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313345928 389113134 /nfs/dbraw/zinc/11/31/34/389113134.db2.gz IXSVDKGLGTVCCO-LBPRGKRZSA-N 2 2 251.330 0.640 20 0 CCADLP COc1ccncc1C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313345928 389113138 /nfs/dbraw/zinc/11/31/38/389113138.db2.gz IXSVDKGLGTVCCO-LBPRGKRZSA-N 2 2 251.330 0.640 20 0 CCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313348268 389113476 /nfs/dbraw/zinc/11/34/76/389113476.db2.gz KWVLXKLGFDVBLQ-NEPJUHHUSA-N 2 2 257.378 0.341 20 0 CCADLP CCCCNC(=O)[C@@H](C)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313348268 389113477 /nfs/dbraw/zinc/11/34/77/389113477.db2.gz KWVLXKLGFDVBLQ-NEPJUHHUSA-N 2 2 257.378 0.341 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000112660454 389127359 /nfs/dbraw/zinc/12/73/59/389127359.db2.gz OCAFEOUIZRNETK-QWHCGFSZSA-N 2 2 298.431 0.883 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000112660454 389127361 /nfs/dbraw/zinc/12/73/61/389127361.db2.gz OCAFEOUIZRNETK-QWHCGFSZSA-N 2 2 298.431 0.883 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000112660454 389127366 /nfs/dbraw/zinc/12/73/66/389127366.db2.gz OCAFEOUIZRNETK-QWHCGFSZSA-N 2 2 298.431 0.883 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000112660454 389127370 /nfs/dbraw/zinc/12/73/70/389127370.db2.gz OCAFEOUIZRNETK-QWHCGFSZSA-N 2 2 298.431 0.883 20 0 CCADLP C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000211941670 389131953 /nfs/dbraw/zinc/13/19/53/389131953.db2.gz PREWCMGRAWQVLH-OAHLLOKOSA-N 2 2 294.420 0.951 20 0 CCADLP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000211941670 389131959 /nfs/dbraw/zinc/13/19/59/389131959.db2.gz PREWCMGRAWQVLH-OAHLLOKOSA-N 2 2 294.420 0.951 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339430141 389133689 /nfs/dbraw/zinc/13/36/89/389133689.db2.gz QMRIVNOMPYMLPU-HNNXBMFYSA-N 2 2 283.416 0.557 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339430141 389133692 /nfs/dbraw/zinc/13/36/92/389133692.db2.gz QMRIVNOMPYMLPU-HNNXBMFYSA-N 2 2 283.416 0.557 20 0 CCADLP CCOCCNC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339430141 389133695 /nfs/dbraw/zinc/13/36/95/389133695.db2.gz QMRIVNOMPYMLPU-HNNXBMFYSA-N 2 2 283.416 0.557 20 0 CCADLP CCOCCNC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339430141 389133698 /nfs/dbraw/zinc/13/36/98/389133698.db2.gz QMRIVNOMPYMLPU-HNNXBMFYSA-N 2 2 283.416 0.557 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000360098476 389190615 /nfs/dbraw/zinc/19/06/15/389190615.db2.gz OZZUPLMITFKWTD-UONOGXRCSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000360098476 389190617 /nfs/dbraw/zinc/19/06/17/389190617.db2.gz OZZUPLMITFKWTD-UONOGXRCSA-N 2 2 281.400 0.404 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC[NH+]1CCC[C@@H]1C(N)=O ZINC000341902230 389194480 /nfs/dbraw/zinc/19/44/80/389194480.db2.gz SGUCBJBIHIBKLH-APIJFGDWSA-N 3 2 296.459 0.645 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC[NH+]1CCC[C@@H]1C(N)=O ZINC000341902230 389194481 /nfs/dbraw/zinc/19/44/81/389194481.db2.gz SGUCBJBIHIBKLH-APIJFGDWSA-N 3 2 296.459 0.645 20 0 CCADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000341902230 389194482 /nfs/dbraw/zinc/19/44/82/389194482.db2.gz SGUCBJBIHIBKLH-APIJFGDWSA-N 3 2 296.459 0.645 20 0 CCADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000341902230 389194484 /nfs/dbraw/zinc/19/44/84/389194484.db2.gz SGUCBJBIHIBKLH-APIJFGDWSA-N 3 2 296.459 0.645 20 0 CCADLP CC[C@H](C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)[NH+](C)C ZINC000342255908 389203193 /nfs/dbraw/zinc/20/31/93/389203193.db2.gz VKBYCQCPWAKQPS-MGPQQGTHSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@H](O)C[N@H+](C)C1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000340862650 389164033 /nfs/dbraw/zinc/16/40/33/389164033.db2.gz AKMGRNAIJCDCRH-GXTWGEPZSA-N 2 2 283.416 0.432 20 0 CCADLP C[C@H](O)C[N@@H+](C)C1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000340862650 389164035 /nfs/dbraw/zinc/16/40/35/389164035.db2.gz AKMGRNAIJCDCRH-GXTWGEPZSA-N 2 2 283.416 0.432 20 0 CCADLP C[N@H+](CC[C@H]1CCC[NH+]1C)CC(=O)N1CCOCC1 ZINC000125156040 389164677 /nfs/dbraw/zinc/16/46/77/389164677.db2.gz FANDVLBMKCZECC-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)CC(=O)N1CCOCC1 ZINC000125156040 389164680 /nfs/dbraw/zinc/16/46/80/389164680.db2.gz FANDVLBMKCZECC-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)CC(=O)N1CCOCC1 ZINC000125156040 389164683 /nfs/dbraw/zinc/16/46/83/389164683.db2.gz FANDVLBMKCZECC-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP C[NH+](CC[C@H]1CCC[N@H+]1C)CC(=O)N1CCOCC1 ZINC000125156040 389164685 /nfs/dbraw/zinc/16/46/85/389164685.db2.gz FANDVLBMKCZECC-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)C1CC1 ZINC000360819017 389204983 /nfs/dbraw/zinc/20/49/83/389204983.db2.gz PTDMDASBRFYZBO-UWVGGRQHSA-N 2 2 261.316 0.440 20 0 CCADLP CC[NH+]1CCN(CC(=O)Nc2ccc(N)[nH+]c2)CC1 ZINC000236873359 389175976 /nfs/dbraw/zinc/17/59/76/389175976.db2.gz BMZCLCSDJIGHRZ-UHFFFAOYSA-N 2 2 263.345 0.240 20 0 CCADLP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000343072145 389257193 /nfs/dbraw/zinc/25/71/93/389257193.db2.gz CTDJAQQTWNWBAP-LBPRGKRZSA-N 2 2 276.384 0.998 20 0 CCADLP CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000343072145 389257196 /nfs/dbraw/zinc/25/71/96/389257196.db2.gz CTDJAQQTWNWBAP-LBPRGKRZSA-N 2 2 276.384 0.998 20 0 CCADLP CC[C@]1(C)C[N@H+](CC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000135642737 389261220 /nfs/dbraw/zinc/26/12/20/389261220.db2.gz LIPKUAUIJXIFMY-CQSZACIVSA-N 2 2 269.389 0.261 20 0 CCADLP CC[C@]1(C)C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000135642737 389261224 /nfs/dbraw/zinc/26/12/24/389261224.db2.gz LIPKUAUIJXIFMY-CQSZACIVSA-N 2 2 269.389 0.261 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@@H](NC2CC[NH+](CC(=O)NC)CC2)C1 ZINC000343269281 389262569 /nfs/dbraw/zinc/26/25/69/389262569.db2.gz AUKZDOPXBCYAJZ-OCCSQVGLSA-N 2 2 282.432 0.127 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@@H](NC2CC[NH+](CC(=O)NC)CC2)C1 ZINC000343269281 389262572 /nfs/dbraw/zinc/26/25/72/389262572.db2.gz AUKZDOPXBCYAJZ-OCCSQVGLSA-N 2 2 282.432 0.127 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC2CC2)[C@@H](C)C1 ZINC000245415917 389207428 /nfs/dbraw/zinc/20/74/28/389207428.db2.gz DTOBYNHETAFRKY-AAEUAGOBSA-N 2 2 253.390 0.927 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC2CC2)[C@@H](C)C1 ZINC000245415917 389207430 /nfs/dbraw/zinc/20/74/30/389207430.db2.gz DTOBYNHETAFRKY-AAEUAGOBSA-N 2 2 253.390 0.927 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC2CC2)[C@@H](C)C1 ZINC000245415917 389207431 /nfs/dbraw/zinc/20/74/31/389207431.db2.gz DTOBYNHETAFRKY-AAEUAGOBSA-N 2 2 253.390 0.927 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC2CC2)[C@@H](C)C1 ZINC000245415917 389207434 /nfs/dbraw/zinc/20/74/34/389207434.db2.gz DTOBYNHETAFRKY-AAEUAGOBSA-N 2 2 253.390 0.927 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC(=O)NC2CC2)[C@@H](C)C1 ZINC000245436412 389207553 /nfs/dbraw/zinc/20/75/53/389207553.db2.gz QYOUQYAFZYQSQL-WCQYABFASA-N 2 2 296.415 0.637 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC(=O)NC2CC2)[C@@H](C)C1 ZINC000245436412 389207557 /nfs/dbraw/zinc/20/75/57/389207557.db2.gz QYOUQYAFZYQSQL-WCQYABFASA-N 2 2 296.415 0.637 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC(=O)NC2CC2)[C@@H](C)C1 ZINC000245436412 389207560 /nfs/dbraw/zinc/20/75/60/389207560.db2.gz QYOUQYAFZYQSQL-WCQYABFASA-N 2 2 296.415 0.637 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC(=O)NC2CC2)[C@@H](C)C1 ZINC000245436412 389207562 /nfs/dbraw/zinc/20/75/62/389207562.db2.gz QYOUQYAFZYQSQL-WCQYABFASA-N 2 2 296.415 0.637 20 0 CCADLP CNC(=O)NC(=O)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000245496317 389210534 /nfs/dbraw/zinc/21/05/34/389210534.db2.gz RDYQOSYBAMLOLR-OLZOCXBDSA-N 2 2 296.415 0.779 20 0 CCADLP CNC(=O)NC(=O)CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000245496317 389210537 /nfs/dbraw/zinc/21/05/37/389210537.db2.gz RDYQOSYBAMLOLR-OLZOCXBDSA-N 2 2 296.415 0.779 20 0 CCADLP CNC(=O)NC(=O)CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000245496317 389210541 /nfs/dbraw/zinc/21/05/41/389210541.db2.gz RDYQOSYBAMLOLR-OLZOCXBDSA-N 2 2 296.415 0.779 20 0 CCADLP CNC(=O)NC(=O)CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000245496317 389210542 /nfs/dbraw/zinc/21/05/42/389210542.db2.gz RDYQOSYBAMLOLR-OLZOCXBDSA-N 2 2 296.415 0.779 20 0 CCADLP CCNC(=O)C[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361531243 389219245 /nfs/dbraw/zinc/21/92/45/389219245.db2.gz PVTVWNWFPQBMCB-UHFFFAOYSA-N 2 2 278.356 0.348 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N1CC[C@@H](C[NH+](C)C)C1 ZINC000246087938 389223339 /nfs/dbraw/zinc/22/33/39/389223339.db2.gz NLVWZWJBRNSCQX-KBPBESRZSA-N 2 2 255.406 0.591 20 0 CCADLP COC(=O)[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)[C@@H]1C(=O)OC ZINC000133044958 389231106 /nfs/dbraw/zinc/23/11/06/389231106.db2.gz KUACBDKMAWSAAD-NEPJUHHUSA-N 2 2 295.339 0.310 20 0 CCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](C)[NH3+] ZINC000133714042 389238009 /nfs/dbraw/zinc/23/80/09/389238009.db2.gz OUGWMAFZPPHZQJ-NEPJUHHUSA-N 2 2 262.357 0.714 20 0 CCADLP OCC[N@@H+]1CCCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000264181736 389310739 /nfs/dbraw/zinc/31/07/39/389310739.db2.gz BDPBAYSONCITJZ-UHFFFAOYSA-N 2 2 261.329 0.462 20 0 CCADLP OCC[N@H+]1CCCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000264181736 389310744 /nfs/dbraw/zinc/31/07/44/389310744.db2.gz BDPBAYSONCITJZ-UHFFFAOYSA-N 2 2 261.329 0.462 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000346973926 389343036 /nfs/dbraw/zinc/34/30/36/389343036.db2.gz INHZDYZOMBZYSO-NWDGAFQWSA-N 2 2 274.430 0.884 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000346973926 389343040 /nfs/dbraw/zinc/34/30/40/389343040.db2.gz INHZDYZOMBZYSO-NWDGAFQWSA-N 2 2 274.430 0.884 20 0 CCADLP C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC000346327532 389327030 /nfs/dbraw/zinc/32/70/30/389327030.db2.gz QJCHODQYBSRMFD-CJNGLKHVSA-N 2 2 288.395 1.000 20 0 CCADLP C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC000346327532 389327034 /nfs/dbraw/zinc/32/70/34/389327034.db2.gz QJCHODQYBSRMFD-CJNGLKHVSA-N 2 2 288.395 1.000 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1CCCCS1(=O)=O ZINC000346805802 389338374 /nfs/dbraw/zinc/33/83/74/389338374.db2.gz IWWNURSZUJYUHR-JHJVBQTASA-N 2 2 274.430 0.884 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CCCCS1(=O)=O ZINC000346805802 389338377 /nfs/dbraw/zinc/33/83/77/389338377.db2.gz IWWNURSZUJYUHR-JHJVBQTASA-N 2 2 274.430 0.884 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)O1 ZINC000364495278 389270525 /nfs/dbraw/zinc/27/05/25/389270525.db2.gz ZZRWIRGTKOPKBP-SNPRPXQTSA-N 2 2 295.427 0.968 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)O1 ZINC000364495278 389270527 /nfs/dbraw/zinc/27/05/27/389270527.db2.gz ZZRWIRGTKOPKBP-SNPRPXQTSA-N 2 2 295.427 0.968 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)N2CCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343927760 389275723 /nfs/dbraw/zinc/27/57/23/389275723.db2.gz SYDBLPCDMSZWGV-GJZGRUSLSA-N 2 2 294.443 0.177 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)N2CCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343927760 389275725 /nfs/dbraw/zinc/27/57/25/389275725.db2.gz SYDBLPCDMSZWGV-GJZGRUSLSA-N 2 2 294.443 0.177 20 0 CCADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H](C)C[NH3+])CC1 ZINC000262029969 389280457 /nfs/dbraw/zinc/28/04/57/389280457.db2.gz BKYMJOPIWRAKNW-SNVBAGLBSA-N 2 2 280.372 0.530 20 0 CCADLP COC(=O)[C@H]1C[N@H+](CCCn2cc[nH+]c2)CCO1 ZINC000152006453 389282857 /nfs/dbraw/zinc/28/28/57/389282857.db2.gz ANHNHVFIMHAANL-LLVKDONJSA-N 2 2 253.302 0.147 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](CCCn2cc[nH+]c2)CCO1 ZINC000152006453 389282859 /nfs/dbraw/zinc/28/28/59/389282859.db2.gz ANHNHVFIMHAANL-LLVKDONJSA-N 2 2 253.302 0.147 20 0 CCADLP C[NH+]1CCC(CNC(=O)C(C)(C)[NH3+])([NH+]2CCCCC2)CC1 ZINC000262625362 389290419 /nfs/dbraw/zinc/29/04/19/389290419.db2.gz BKODCSVSUQGOCD-UHFFFAOYSA-N 3 2 296.459 0.790 20 0 CCADLP Cc1nc(N2CC[NH+](CCn3cncn3)CC2)cc[nH+]1 ZINC000332140878 389342645 /nfs/dbraw/zinc/34/26/45/389342645.db2.gz NHMKEZCSLGMNBF-UHFFFAOYSA-N 2 2 273.344 0.199 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000266798138 389366846 /nfs/dbraw/zinc/36/68/46/389366846.db2.gz DVBREEARFRGFNN-VXGBXAGGSA-N 2 2 278.356 0.446 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000266798138 389366847 /nfs/dbraw/zinc/36/68/47/389366847.db2.gz DVBREEARFRGFNN-VXGBXAGGSA-N 2 2 278.356 0.446 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3=COCCO3)C2)CC1 ZINC000369274096 389392792 /nfs/dbraw/zinc/39/27/92/389392792.db2.gz MLMOPRWKJJFPGS-GFCCVEGCSA-N 2 2 295.383 0.159 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3=COCCO3)C2)CC1 ZINC000369274096 389392796 /nfs/dbraw/zinc/39/27/96/389392796.db2.gz MLMOPRWKJJFPGS-GFCCVEGCSA-N 2 2 295.383 0.159 20 0 CCADLP CN(C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000369363993 389395945 /nfs/dbraw/zinc/39/59/45/389395945.db2.gz PCJVJWBWNLLWSM-LBPRGKRZSA-N 2 2 280.416 0.959 20 0 CCADLP CN(C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000369363993 389395946 /nfs/dbraw/zinc/39/59/46/389395946.db2.gz PCJVJWBWNLLWSM-LBPRGKRZSA-N 2 2 280.416 0.959 20 0 CCADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000333012421 389402801 /nfs/dbraw/zinc/40/28/01/389402801.db2.gz UNYFPKISCIKGJQ-WCQYABFASA-N 2 2 274.368 0.941 20 0 CCADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@H]1CCC[N@H+]1C1CC1 ZINC000333012421 389402803 /nfs/dbraw/zinc/40/28/03/389402803.db2.gz UNYFPKISCIKGJQ-WCQYABFASA-N 2 2 274.368 0.941 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000349118300 389404570 /nfs/dbraw/zinc/40/45/70/389404570.db2.gz MTZZILMXHKDEJH-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000349118300 389404572 /nfs/dbraw/zinc/40/45/72/389404572.db2.gz MTZZILMXHKDEJH-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP C[N@@H+]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000349385109 389414104 /nfs/dbraw/zinc/41/41/04/389414104.db2.gz PCZUQECYOGIMJK-LBPRGKRZSA-N 2 2 262.357 0.610 20 0 CCADLP C[N@H+]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000349385109 389414107 /nfs/dbraw/zinc/41/41/07/389414107.db2.gz PCZUQECYOGIMJK-LBPRGKRZSA-N 2 2 262.357 0.610 20 0 CCADLP CCN(C)C(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000264751937 389352555 /nfs/dbraw/zinc/35/25/55/389352555.db2.gz WUJIHZWDFLPYRW-UHFFFAOYSA-N 2 2 250.346 0.998 20 0 CCADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)Cn1cccn1 ZINC000347481624 389354259 /nfs/dbraw/zinc/35/42/59/389354259.db2.gz JWLCABAXTMZQBV-KBPBESRZSA-N 2 2 266.389 0.972 20 0 CCADLP CCc1nc2n(n1)C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)CC2 ZINC000332664793 389356508 /nfs/dbraw/zinc/35/65/08/389356508.db2.gz YASJHIKYUAPQKY-UTUOFQBUSA-N 2 2 263.389 0.743 20 0 CCADLP C1CC1[C@H](N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[NH2+]CCO1 ZINC000422733370 389461247 /nfs/dbraw/zinc/46/12/47/389461247.db2.gz BDIHRNAXDYWIJL-QEJZJMRPSA-N 2 2 265.401 0.580 20 0 CCADLP C1CC1[C@H](N[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[NH2+]CCO1 ZINC000422733370 389461250 /nfs/dbraw/zinc/46/12/50/389461250.db2.gz BDIHRNAXDYWIJL-QEJZJMRPSA-N 2 2 265.401 0.580 20 0 CCADLP C1CC1[C@H]([NH2+][C@H]1CCN(C2CC2)C1)[C@@H]1C[NH2+]CCO1 ZINC000422733370 389461254 /nfs/dbraw/zinc/46/12/54/389461254.db2.gz BDIHRNAXDYWIJL-QEJZJMRPSA-N 2 2 265.401 0.580 20 0 CCADLP CNS(=O)(=O)c1cccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])c1 ZINC000422731010 389461637 /nfs/dbraw/zinc/46/16/37/389461637.db2.gz GCHLCUMHMJGYSO-STQMWFEESA-N 2 2 283.397 0.564 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000422750468 389467396 /nfs/dbraw/zinc/46/73/96/389467396.db2.gz AZGVTYZNXDERJZ-CBBWQLFWSA-N 2 2 297.443 0.990 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000422750468 389467399 /nfs/dbraw/zinc/46/73/99/389467399.db2.gz AZGVTYZNXDERJZ-CBBWQLFWSA-N 2 2 297.443 0.990 20 0 CCADLP O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000422790384 389476248 /nfs/dbraw/zinc/47/62/48/389476248.db2.gz TZJXMZYTZHGZCX-GXTWGEPZSA-N 2 2 281.400 0.498 20 0 CCADLP O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000422790384 389476254 /nfs/dbraw/zinc/47/62/54/389476254.db2.gz TZJXMZYTZHGZCX-GXTWGEPZSA-N 2 2 281.400 0.498 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000422792493 389476645 /nfs/dbraw/zinc/47/66/45/389476645.db2.gz ZINZLYFKKBGMKR-AAEUAGOBSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000422792493 389476647 /nfs/dbraw/zinc/47/66/47/389476647.db2.gz ZINZLYFKKBGMKR-AAEUAGOBSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000422791988 389476999 /nfs/dbraw/zinc/47/69/99/389476999.db2.gz YYKKZONVNOQIJZ-AAEUAGOBSA-N 2 2 269.389 0.483 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000422791988 389477001 /nfs/dbraw/zinc/47/70/01/389477001.db2.gz YYKKZONVNOQIJZ-AAEUAGOBSA-N 2 2 269.389 0.483 20 0 CCADLP C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000422804064 389478424 /nfs/dbraw/zinc/47/84/24/389478424.db2.gz HDHAZLXYGYOXRN-HIFRSBDPSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000422804064 389478429 /nfs/dbraw/zinc/47/84/29/389478429.db2.gz HDHAZLXYGYOXRN-HIFRSBDPSA-N 2 2 295.427 0.698 20 0 CCADLP Cn1c[nH+]cc1CCc1nc([C@H]2C[N@H+](C)CCN2C)no1 ZINC000350046284 389480477 /nfs/dbraw/zinc/48/04/77/389480477.db2.gz WGUMTNSCMPROAY-GFCCVEGCSA-N 2 2 290.371 0.507 20 0 CCADLP Cn1c[nH+]cc1CCc1nc([C@H]2C[N@@H+](C)CCN2C)no1 ZINC000350046284 389480480 /nfs/dbraw/zinc/48/04/80/389480480.db2.gz WGUMTNSCMPROAY-GFCCVEGCSA-N 2 2 290.371 0.507 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]C ZINC000422823209 389483045 /nfs/dbraw/zinc/48/30/45/389483045.db2.gz CSJCKDUSPUCQJU-QWHCGFSZSA-N 2 2 271.405 0.459 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]C ZINC000422823209 389483047 /nfs/dbraw/zinc/48/30/47/389483047.db2.gz CSJCKDUSPUCQJU-QWHCGFSZSA-N 2 2 271.405 0.459 20 0 CCADLP CCC[N@H+](CC)CCN[C@@H]1CC[NH2+][C@@H]1C(=O)OCC ZINC000422825852 389483945 /nfs/dbraw/zinc/48/39/45/389483945.db2.gz QBMJZSBHJMHGBY-OLZOCXBDSA-N 2 2 271.405 0.602 20 0 CCADLP CCC[N@@H+](CC)CCN[C@@H]1CC[NH2+][C@@H]1C(=O)OCC ZINC000422825852 389483950 /nfs/dbraw/zinc/48/39/50/389483950.db2.gz QBMJZSBHJMHGBY-OLZOCXBDSA-N 2 2 271.405 0.602 20 0 CCADLP c1c[nH+]c(CN2CC[NH+](CC3CCOCC3)CC2)[nH]1 ZINC000172268301 389486256 /nfs/dbraw/zinc/48/62/56/389486256.db2.gz QGPCBDMZNIFCMC-UHFFFAOYSA-N 2 2 264.373 0.954 20 0 CCADLP C[N@@H+](CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1)C1CC1 ZINC000373480158 389486605 /nfs/dbraw/zinc/48/66/05/389486605.db2.gz NDQDFFJSCCSQGD-OAHLLOKOSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+](CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C1CC1 ZINC000373480158 389486609 /nfs/dbraw/zinc/48/66/09/389486609.db2.gz NDQDFFJSCCSQGD-OAHLLOKOSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+](CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C1CC1 ZINC000373480158 389486612 /nfs/dbraw/zinc/48/66/12/389486612.db2.gz NDQDFFJSCCSQGD-OAHLLOKOSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC[NH2+]1 ZINC000422836633 389487491 /nfs/dbraw/zinc/48/74/91/389487491.db2.gz KPYXXSBSHPNAMG-JSGCOSHPSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC[NH2+]1 ZINC000422836633 389487494 /nfs/dbraw/zinc/48/74/94/389487494.db2.gz KPYXXSBSHPNAMG-JSGCOSHPSA-N 2 2 281.400 0.308 20 0 CCADLP CC[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C(=O)N1CCOCC1 ZINC000422846057 389489956 /nfs/dbraw/zinc/48/99/56/389489956.db2.gz DQNSGKJWUFXNFK-YNEHKIRRSA-N 2 2 269.389 0.354 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000274153137 389491330 /nfs/dbraw/zinc/49/13/30/389491330.db2.gz LGJBXJQYMURNKM-LBPRGKRZSA-N 2 2 271.386 0.701 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000274153137 389491332 /nfs/dbraw/zinc/49/13/32/389491332.db2.gz LGJBXJQYMURNKM-LBPRGKRZSA-N 2 2 271.386 0.701 20 0 CCADLP C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000163839057 389430909 /nfs/dbraw/zinc/43/09/09/389430909.db2.gz VKSWRYLMJLJPNZ-UTLUCORTSA-N 2 2 281.322 0.970 20 0 CCADLP C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000163839057 389430911 /nfs/dbraw/zinc/43/09/11/389430911.db2.gz VKSWRYLMJLJPNZ-UTLUCORTSA-N 2 2 281.322 0.970 20 0 CCADLP C[C@H]1CCN(c2[nH+]cnc3c2cnn3C)C[C@@H]1C[NH3+] ZINC000163962237 389431506 /nfs/dbraw/zinc/43/15/06/389431506.db2.gz FDYLYOGXQREJPL-UWVGGRQHSA-N 2 2 260.345 0.784 20 0 CCADLP Cn1cc([C@@H]2C[N@H+](CC[C@@H]3CCC[NH2+]C3)C[C@H]2[NH3+])cn1 ZINC000333594224 389433004 /nfs/dbraw/zinc/43/30/04/389433004.db2.gz PNDCKHINOHIODO-AEGPPILISA-N 3 2 277.416 0.536 20 0 CCADLP Cn1cc([C@@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)C[C@H]2[NH3+])cn1 ZINC000333594224 389433007 /nfs/dbraw/zinc/43/30/07/389433007.db2.gz PNDCKHINOHIODO-AEGPPILISA-N 3 2 277.416 0.536 20 0 CCADLP CCONC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371725885 389437292 /nfs/dbraw/zinc/43/72/92/389437292.db2.gz ZKHUVFCMOSSJDT-NSHDSACASA-N 2 2 270.377 0.406 20 0 CCADLP CCONC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371725885 389437295 /nfs/dbraw/zinc/43/72/95/389437295.db2.gz ZKHUVFCMOSSJDT-NSHDSACASA-N 2 2 270.377 0.406 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H]1CCCC[NH2+]1)[NH+]1CCOCC1 ZINC000167687332 389446857 /nfs/dbraw/zinc/44/68/57/389446857.db2.gz ZHUSPZFCTIVYGE-XQQFMLRXSA-N 2 2 269.389 0.354 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000422855359 389492891 /nfs/dbraw/zinc/49/28/91/389492891.db2.gz CKHCKBPKMMHUBG-CHWSQXEVSA-N 2 2 269.389 0.341 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000422855359 389492893 /nfs/dbraw/zinc/49/28/93/389492893.db2.gz CKHCKBPKMMHUBG-CHWSQXEVSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC(=O)N1CCCCC1 ZINC000422697535 389452961 /nfs/dbraw/zinc/45/29/61/389452961.db2.gz UYFNEVCEMZYCJS-OLZOCXBDSA-N 2 2 253.390 0.977 20 0 CCADLP C[C@@H]1COCCN1CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422710418 389456290 /nfs/dbraw/zinc/45/62/90/389456290.db2.gz FPQOACBMIFYCPJ-YUELXQCFSA-N 2 2 283.416 0.064 20 0 CCADLP COC(=O)CC1([NH2+]CCCn2cc[nH+]c2)CCOCC1 ZINC000272009787 389456623 /nfs/dbraw/zinc/45/66/23/389456623.db2.gz SYDZQVHSGBLUHI-UHFFFAOYSA-N 2 2 281.356 0.975 20 0 CCADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000422712550 389457444 /nfs/dbraw/zinc/45/74/44/389457444.db2.gz IMRVIUOVNJQTAC-LSDHHAIUSA-N 3 2 289.427 0.803 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000422714089 389457519 /nfs/dbraw/zinc/45/75/19/389457519.db2.gz QRMOQSCYKCCMML-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000422714089 389457523 /nfs/dbraw/zinc/45/75/23/389457523.db2.gz QRMOQSCYKCCMML-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCN1CCOCC1(C)C ZINC000422715640 389457973 /nfs/dbraw/zinc/45/79/73/389457973.db2.gz SLVKOQCWDFUHTG-CHWSQXEVSA-N 2 2 255.406 0.685 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NCC[N@@H+]1CCOCC1(C)C ZINC000422715640 389457976 /nfs/dbraw/zinc/45/79/76/389457976.db2.gz SLVKOQCWDFUHTG-CHWSQXEVSA-N 2 2 255.406 0.685 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NCC[N@H+]1CCOCC1(C)C ZINC000422715640 389457980 /nfs/dbraw/zinc/45/79/80/389457980.db2.gz SLVKOQCWDFUHTG-CHWSQXEVSA-N 2 2 255.406 0.685 20 0 CCADLP CCNC(=O)N1CC[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000422929374 389506680 /nfs/dbraw/zinc/50/66/80/389506680.db2.gz PPSKRFSPRFOZPV-WOPDTQHZSA-N 2 2 254.378 0.378 20 0 CCADLP CC(C)NS(=O)(=O)CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422945683 389509121 /nfs/dbraw/zinc/50/91/21/389509121.db2.gz NRFGKADQTVVCOV-QWRGUYRKSA-N 2 2 263.407 0.044 20 0 CCADLP COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000275533504 389511975 /nfs/dbraw/zinc/51/19/75/389511975.db2.gz KQHGJNFODBYNKW-CHWSQXEVSA-N 2 2 281.356 0.580 20 0 CCADLP COC(=O)[C@H]1[C@H](O)CCC[N@H+]1CCCn1cc[nH+]c1C ZINC000275533504 389511984 /nfs/dbraw/zinc/51/19/84/389511984.db2.gz KQHGJNFODBYNKW-CHWSQXEVSA-N 2 2 281.356 0.580 20 0 CCADLP CC[NH+]1CCN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000334987117 389517458 /nfs/dbraw/zinc/51/74/58/389517458.db2.gz AQYPUHDMKFGPNE-LLVKDONJSA-N 2 2 277.372 0.614 20 0 CCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC000174374798 389520588 /nfs/dbraw/zinc/52/05/88/389520588.db2.gz QOMQCWBULSXHIV-ZDUSSCGKSA-N 2 2 299.415 0.422 20 0 CCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC000174374798 389520593 /nfs/dbraw/zinc/52/05/93/389520593.db2.gz QOMQCWBULSXHIV-ZDUSSCGKSA-N 2 2 299.415 0.422 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000423020039 389522823 /nfs/dbraw/zinc/52/28/23/389522823.db2.gz YKOWYZAVBLSSFI-NDBYEHHHSA-N 2 2 269.389 0.210 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC000276657181 389524125 /nfs/dbraw/zinc/52/41/25/389524125.db2.gz ZXPYDHZVMAPDBN-CYBMUJFWSA-N 2 2 264.373 0.953 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC000276657181 389524131 /nfs/dbraw/zinc/52/41/31/389524131.db2.gz ZXPYDHZVMAPDBN-CYBMUJFWSA-N 2 2 264.373 0.953 20 0 CCADLP OC[C@@H](Cc1ccccc1)[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423045756 389527107 /nfs/dbraw/zinc/52/71/07/389527107.db2.gz CMKBARRWBVDLLI-BRWVUGGUSA-N 2 2 290.407 0.947 20 0 CCADLP CC[C@H]1CN(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)CCO1 ZINC000423091225 389532849 /nfs/dbraw/zinc/53/28/49/389532849.db2.gz XAMVEYLCZCCNRQ-HZSPNIEDSA-N 2 2 255.406 0.827 20 0 CCADLP CC[C@H]1C[N@H+](CCN[C@H](C)[C@H]2CCC[NH2+]2)CCO1 ZINC000423091225 389532852 /nfs/dbraw/zinc/53/28/52/389532852.db2.gz XAMVEYLCZCCNRQ-HZSPNIEDSA-N 2 2 255.406 0.827 20 0 CCADLP CC[C@H]1C[N@@H+](CCN[C@H](C)[C@H]2CCC[NH2+]2)CCO1 ZINC000423091225 389532853 /nfs/dbraw/zinc/53/28/53/389532853.db2.gz XAMVEYLCZCCNRQ-HZSPNIEDSA-N 2 2 255.406 0.827 20 0 CCADLP COc1ccc(C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)c(OC)n1 ZINC000423143528 389541542 /nfs/dbraw/zinc/54/15/42/389541542.db2.gz XBAVSRYUXRDYQU-YPMHNXCESA-N 2 2 295.383 0.955 20 0 CCADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC(=O)N2CCOCC2)C1 ZINC000350806673 389544297 /nfs/dbraw/zinc/54/42/97/389544297.db2.gz PBVGGXXNMVXFNV-OAHLLOKOSA-N 2 2 295.427 0.509 20 0 CCADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC(=O)N2CCOCC2)C1 ZINC000350806673 389544301 /nfs/dbraw/zinc/54/43/01/389544301.db2.gz PBVGGXXNMVXFNV-OAHLLOKOSA-N 2 2 295.427 0.509 20 0 CCADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000350806673 389544306 /nfs/dbraw/zinc/54/43/06/389544306.db2.gz PBVGGXXNMVXFNV-OAHLLOKOSA-N 2 2 295.427 0.509 20 0 CCADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000350806673 389544309 /nfs/dbraw/zinc/54/43/09/389544309.db2.gz PBVGGXXNMVXFNV-OAHLLOKOSA-N 2 2 295.427 0.509 20 0 CCADLP C[C@H](CC(C)(C)O)[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423149689 389544717 /nfs/dbraw/zinc/54/47/17/389544717.db2.gz AWSHDJDDKAFIIM-WXHSDQCUSA-N 2 2 256.390 0.893 20 0 CCADLP C[C@H](CCCO)C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423159119 389545623 /nfs/dbraw/zinc/54/56/23/389545623.db2.gz OUPPFSUCFDVYQS-KWCYVHTRSA-N 2 2 256.390 0.752 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCCN2CC[NH2+]CC2)C[N@@H+]1C1CC1 ZINC000423176370 389549019 /nfs/dbraw/zinc/54/90/19/389549019.db2.gz GZROZXGHACSHSC-ZIAGYGMSSA-N 3 2 266.433 0.497 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCCN2CC[NH2+]CC2)C[N@H+]1C1CC1 ZINC000423176370 389549026 /nfs/dbraw/zinc/54/90/26/389549026.db2.gz GZROZXGHACSHSC-ZIAGYGMSSA-N 3 2 266.433 0.497 20 0 CCADLP O=C(C1CC1)[C@@H]1C[N@H+](CCCn2cc[nH+]c2)CCO1 ZINC000351141344 389565973 /nfs/dbraw/zinc/56/59/73/389565973.db2.gz MPGJZAZEEKYTII-ZDUSSCGKSA-N 2 2 263.341 0.953 20 0 CCADLP O=C(C1CC1)[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)CCO1 ZINC000351141344 389565977 /nfs/dbraw/zinc/56/59/77/389565977.db2.gz MPGJZAZEEKYTII-ZDUSSCGKSA-N 2 2 263.341 0.953 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000422866047 389496040 /nfs/dbraw/zinc/49/60/40/389496040.db2.gz POTDVBYKURUSLW-CBBWQLFWSA-N 2 2 297.443 0.990 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N(C)CC(C)(C)C[NH3+] ZINC000422895354 389501752 /nfs/dbraw/zinc/50/17/52/389501752.db2.gz FQURGMSVSPSMJU-CYBMUJFWSA-N 2 2 285.432 0.931 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N(C)CC(C)(C)C[NH3+] ZINC000422895354 389501755 /nfs/dbraw/zinc/50/17/55/389501755.db2.gz FQURGMSVSPSMJU-CYBMUJFWSA-N 2 2 285.432 0.931 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H]2CN(C3CC3)CCO2)n1C ZINC000414343557 389612098 /nfs/dbraw/zinc/61/20/98/389612098.db2.gz QTUOXOLFKJQKRH-CQSZACIVSA-N 2 2 293.415 0.439 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H]2CN(C3CC3)CCO2)n1C ZINC000414343554 389612924 /nfs/dbraw/zinc/61/29/24/389612924.db2.gz QTUOXOLFKJQKRH-AWEZNQCLSA-N 2 2 293.415 0.439 20 0 CCADLP [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000424137897 389619951 /nfs/dbraw/zinc/61/99/51/389619951.db2.gz POSRXDUBYIMYCH-TUAOUCFPSA-N 2 2 295.408 0.585 20 0 CCADLP CCC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000178763011 389620339 /nfs/dbraw/zinc/62/03/39/389620339.db2.gz YHTGTKKZLFCBOG-NSHDSACASA-N 2 2 257.378 0.341 20 0 CCADLP CCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000178763011 389620347 /nfs/dbraw/zinc/62/03/47/389620347.db2.gz YHTGTKKZLFCBOG-NSHDSACASA-N 2 2 257.378 0.341 20 0 CCADLP CC1CCC(NC(=O)CN2CC[NH+](CCC[NH3+])CC2)CC1 ZINC000414688479 389627504 /nfs/dbraw/zinc/62/75/04/389627504.db2.gz DILUELVNUDQXML-UHFFFAOYSA-N 2 2 296.459 0.648 20 0 CCADLP C[C@H](C[S@](C)=O)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351605112 389629387 /nfs/dbraw/zinc/62/93/87/389629387.db2.gz NETUPWHSQBAPMN-MOCULFSLSA-N 2 2 262.419 0.140 20 0 CCADLP C[C@H](C[S@](C)=O)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351605112 389629390 /nfs/dbraw/zinc/62/93/90/389629390.db2.gz NETUPWHSQBAPMN-MOCULFSLSA-N 2 2 262.419 0.140 20 0 CCADLP C[C@H](C[S@](C)=O)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351605112 389629393 /nfs/dbraw/zinc/62/93/93/389629393.db2.gz NETUPWHSQBAPMN-MOCULFSLSA-N 2 2 262.419 0.140 20 0 CCADLP C[C@H](C[S@](C)=O)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351605112 389629396 /nfs/dbraw/zinc/62/93/96/389629396.db2.gz NETUPWHSQBAPMN-MOCULFSLSA-N 2 2 262.419 0.140 20 0 CCADLP Cc1cc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)nn1C ZINC000414709902 389630992 /nfs/dbraw/zinc/63/09/92/389630992.db2.gz KLESLUHOLQMZPE-CQSZACIVSA-N 2 2 291.399 0.125 20 0 CCADLP Cc1cc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)nn1C ZINC000414709902 389630997 /nfs/dbraw/zinc/63/09/97/389630997.db2.gz KLESLUHOLQMZPE-CQSZACIVSA-N 2 2 291.399 0.125 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCCN(C(=O)C2CC2)CC1)C1CC1 ZINC000351652560 389648316 /nfs/dbraw/zinc/64/83/16/389648316.db2.gz SIHXSNWRABYNDX-HNNXBMFYSA-N 2 2 295.427 0.386 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCCN(C(=O)C2CC2)CC1)C1CC1 ZINC000351652560 389648321 /nfs/dbraw/zinc/64/83/21/389648321.db2.gz SIHXSNWRABYNDX-HNNXBMFYSA-N 2 2 295.427 0.386 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCCN(C(=O)C2CC2)CC1)C1CC1 ZINC000351652560 389648326 /nfs/dbraw/zinc/64/83/26/389648326.db2.gz SIHXSNWRABYNDX-HNNXBMFYSA-N 2 2 295.427 0.386 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCCN(C(=O)C2CC2)CC1)C1CC1 ZINC000351652560 389648328 /nfs/dbraw/zinc/64/83/28/389648328.db2.gz SIHXSNWRABYNDX-HNNXBMFYSA-N 2 2 295.427 0.386 20 0 CCADLP C[NH2+]CC[NH2+][C@H](C)CC(=O)Nc1cccc(C(=O)OC)c1 ZINC000414830981 389639542 /nfs/dbraw/zinc/63/95/42/389639542.db2.gz OZMOJPBVIHJXFE-LLVKDONJSA-N 2 2 293.367 0.999 20 0 CCADLP COCC[NH2+]CC[NH2+][C@@H](C)CC(=O)N1CCCCCC1 ZINC000414881019 389642516 /nfs/dbraw/zinc/64/25/16/389642516.db2.gz JVDMTVXJPYSTLZ-AWEZNQCLSA-N 2 2 285.432 0.993 20 0 CCADLP COCC[NH2+]CC[NH2+]Cc1ccccc1N1CCOCC1 ZINC000414880458 389642947 /nfs/dbraw/zinc/64/29/47/389642947.db2.gz JBNCRGMFKDZPII-UHFFFAOYSA-N 2 2 293.411 0.849 20 0 CCADLP COCC[NH2+]CC[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000414892882 389643563 /nfs/dbraw/zinc/64/35/63/389643563.db2.gz XMFNAHDSFCDMOU-UHFFFAOYSA-N 2 2 295.408 0.926 20 0 CCADLP COC(=O)[C@H]1CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)[C@H]1C ZINC000425330412 389644876 /nfs/dbraw/zinc/64/48/76/389644876.db2.gz APHLTDDLIGOWTH-JQWIXIFHSA-N 2 2 280.372 0.870 20 0 CCADLP COC(=O)[C@H]1CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)[C@H]1C ZINC000425330412 389644879 /nfs/dbraw/zinc/64/48/79/389644879.db2.gz APHLTDDLIGOWTH-JQWIXIFHSA-N 2 2 280.372 0.870 20 0 CCADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000423390095 389577969 /nfs/dbraw/zinc/57/79/69/389577969.db2.gz VRZSDSKAJNKOTR-IJLUTSLNSA-N 2 2 262.419 0.930 20 0 CCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@H]1CSC[NH2+]1 ZINC000335610752 389578652 /nfs/dbraw/zinc/57/86/52/389578652.db2.gz YWSRRRYQLRCCQB-LLVKDONJSA-N 2 2 280.397 0.840 20 0 CCADLP CNC(=O)C[C@@H](C)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000423415678 389582828 /nfs/dbraw/zinc/58/28/28/389582828.db2.gz FCXQVUPTWIHHPJ-BXUZGUMPSA-N 2 2 261.369 0.988 20 0 CCADLP CCC[N@@H+](CC(=O)N(C)C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351477935 389586815 /nfs/dbraw/zinc/58/68/15/389586815.db2.gz OFXBIADZJWSITL-CYBMUJFWSA-N 2 2 271.405 0.242 20 0 CCADLP CCC[N@H+](CC(=O)N(C)C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351477935 389586817 /nfs/dbraw/zinc/58/68/17/389586817.db2.gz OFXBIADZJWSITL-CYBMUJFWSA-N 2 2 271.405 0.242 20 0 CCADLP CCC[NH+](CC(=O)N(C)C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351477935 389586818 /nfs/dbraw/zinc/58/68/18/389586818.db2.gz OFXBIADZJWSITL-CYBMUJFWSA-N 2 2 271.405 0.242 20 0 CCADLP CCC[NH+](CC(=O)N(C)C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351477935 389586821 /nfs/dbraw/zinc/58/68/21/389586821.db2.gz OFXBIADZJWSITL-CYBMUJFWSA-N 2 2 271.405 0.242 20 0 CCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C2(C)C[NH2+]C2)CC1 ZINC000423458287 389589610 /nfs/dbraw/zinc/58/96/10/389589610.db2.gz PUHPMXKUYBVDTE-ZDUSSCGKSA-N 2 2 288.395 0.896 20 0 CCADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000423460059 389590854 /nfs/dbraw/zinc/59/08/54/389590854.db2.gz INPWYNYDPUYNMS-VHDGCEQUSA-N 2 2 295.427 0.683 20 0 CCADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000423460059 389590855 /nfs/dbraw/zinc/59/08/55/389590855.db2.gz INPWYNYDPUYNMS-VHDGCEQUSA-N 2 2 295.427 0.683 20 0 CCADLP C[C@H](C[NH3+])CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000423463193 389590957 /nfs/dbraw/zinc/59/09/57/389590957.db2.gz VAMKWIBEMZERNT-SNVBAGLBSA-N 2 2 259.313 0.592 20 0 CCADLP CC(C)C(=O)N1CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)CC1 ZINC000351493668 389593372 /nfs/dbraw/zinc/59/33/72/389593372.db2.gz MWJAOPPSBYVBFD-HNNXBMFYSA-N 2 2 297.443 0.632 20 0 CCADLP CC(C)C(=O)N1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351493668 389593375 /nfs/dbraw/zinc/59/33/75/389593375.db2.gz MWJAOPPSBYVBFD-HNNXBMFYSA-N 2 2 297.443 0.632 20 0 CCADLP CC(C)C(=O)N1CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351493668 389593380 /nfs/dbraw/zinc/59/33/80/389593380.db2.gz MWJAOPPSBYVBFD-HNNXBMFYSA-N 2 2 297.443 0.632 20 0 CCADLP [NH3+]C1(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CCC1 ZINC000423501638 389596380 /nfs/dbraw/zinc/59/63/80/389596380.db2.gz BNFUOFNCNDMCAL-CYBMUJFWSA-N 2 2 281.400 0.627 20 0 CCADLP [NH3+]C1(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CCC1 ZINC000423501638 389596383 /nfs/dbraw/zinc/59/63/83/389596383.db2.gz BNFUOFNCNDMCAL-CYBMUJFWSA-N 2 2 281.400 0.627 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC1(C)CC[NH2+]CC1 ZINC000423512901 389596950 /nfs/dbraw/zinc/59/69/50/389596950.db2.gz QQVQJBAEJKWOQK-AWEZNQCLSA-N 2 2 297.443 0.993 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC1(C)CC[NH2+]CC1 ZINC000423512901 389596956 /nfs/dbraw/zinc/59/69/56/389596956.db2.gz QQVQJBAEJKWOQK-AWEZNQCLSA-N 2 2 297.443 0.993 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000423509354 389597459 /nfs/dbraw/zinc/59/74/59/389597459.db2.gz JODKQGJQBRKBFR-MELADBBJSA-N 2 2 283.416 0.683 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000423509354 389597463 /nfs/dbraw/zinc/59/74/63/389597463.db2.gz JODKQGJQBRKBFR-MELADBBJSA-N 2 2 283.416 0.683 20 0 CCADLP C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425376402 389646212 /nfs/dbraw/zinc/64/62/12/389646212.db2.gz DZNLKCXXGONEJD-JQWIXIFHSA-N 2 2 252.362 0.831 20 0 CCADLP C[C@H]1C[C@@H](O)CC[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425376402 389646220 /nfs/dbraw/zinc/64/62/20/389646220.db2.gz DZNLKCXXGONEJD-JQWIXIFHSA-N 2 2 252.362 0.831 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+](CC(N)=O)C(C)(C)C)C1CC1 ZINC000351533351 389607004 /nfs/dbraw/zinc/60/70/04/389607004.db2.gz IKCYZCXBFRAUNB-NSHDSACASA-N 2 2 257.378 0.027 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+](CC(N)=O)C(C)(C)C)C1CC1 ZINC000351533351 389607008 /nfs/dbraw/zinc/60/70/08/389607008.db2.gz IKCYZCXBFRAUNB-NSHDSACASA-N 2 2 257.378 0.027 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+](CC(N)=O)C(C)(C)C)C1CC1 ZINC000351533351 389607010 /nfs/dbraw/zinc/60/70/10/389607010.db2.gz IKCYZCXBFRAUNB-NSHDSACASA-N 2 2 257.378 0.027 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+](CC(N)=O)C(C)(C)C)C1CC1 ZINC000351533351 389607014 /nfs/dbraw/zinc/60/70/14/389607014.db2.gz IKCYZCXBFRAUNB-NSHDSACASA-N 2 2 257.378 0.027 20 0 CCADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1cccc2c1NCC2 ZINC000414967923 389649556 /nfs/dbraw/zinc/64/95/56/389649556.db2.gz BWTBQLRFCPNPCC-AWEZNQCLSA-N 2 2 260.385 0.648 20 0 CCADLP CSc1cc2c(cc1C[N@H+](C)C[C@H](O)C[NH3+])OCCO2 ZINC000415072315 389655834 /nfs/dbraw/zinc/65/58/34/389655834.db2.gz WCUNDYKWGKTQQG-LLVKDONJSA-N 2 2 298.408 0.931 20 0 CCADLP CSc1cc2c(cc1C[N@@H+](C)C[C@H](O)C[NH3+])OCCO2 ZINC000415072315 389655837 /nfs/dbraw/zinc/65/58/37/389655837.db2.gz WCUNDYKWGKTQQG-LLVKDONJSA-N 2 2 298.408 0.931 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ccnn1C ZINC000180960764 389678387 /nfs/dbraw/zinc/67/83/87/389678387.db2.gz FYTSFHVMKGZLEJ-UHFFFAOYSA-N 2 2 279.432 0.878 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ccnn1C ZINC000180960764 389678388 /nfs/dbraw/zinc/67/83/88/389678388.db2.gz FYTSFHVMKGZLEJ-UHFFFAOYSA-N 2 2 279.432 0.878 20 0 CCADLP CN(CC[N@H+](C)Cc1ccnn1C)C1CC[NH+](C)CC1 ZINC000180960764 389678392 /nfs/dbraw/zinc/67/83/92/389678392.db2.gz FYTSFHVMKGZLEJ-UHFFFAOYSA-N 2 2 279.432 0.878 20 0 CCADLP CN(CC[N@@H+](C)Cc1ccnn1C)C1CC[NH+](C)CC1 ZINC000180960764 389678394 /nfs/dbraw/zinc/67/83/94/389678394.db2.gz FYTSFHVMKGZLEJ-UHFFFAOYSA-N 2 2 279.432 0.878 20 0 CCADLP Cc1cc(NC(=O)N[C@H](CC[NH3+])C(F)F)cc[nH+]1 ZINC000415401229 389680830 /nfs/dbraw/zinc/68/08/30/389680830.db2.gz UNLFKIKXSKZJAL-SECBINFHSA-N 2 2 258.272 0.916 20 0 CCADLP CC(C)N1CC[C@H]([N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C1=O ZINC000428044109 389685280 /nfs/dbraw/zinc/68/52/80/389685280.db2.gz JOSRIIXQDCGUPA-UPJWGTAASA-N 2 2 251.374 0.680 20 0 CCADLP CC(C)N1CC[C@H]([N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C1=O ZINC000428044109 389685282 /nfs/dbraw/zinc/68/52/82/389685282.db2.gz JOSRIIXQDCGUPA-UPJWGTAASA-N 2 2 251.374 0.680 20 0 CCADLP CNC(=O)C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000428428187 389696751 /nfs/dbraw/zinc/69/67/51/389696751.db2.gz VMORTSLBYUKMBG-ZFWWWQNUSA-N 2 2 276.384 0.752 20 0 CCADLP CNC(=O)C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000428428187 389696753 /nfs/dbraw/zinc/69/67/53/389696753.db2.gz VMORTSLBYUKMBG-ZFWWWQNUSA-N 2 2 276.384 0.752 20 0 CCADLP CNC(=O)C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000428428187 389696756 /nfs/dbraw/zinc/69/67/56/389696756.db2.gz VMORTSLBYUKMBG-ZFWWWQNUSA-N 2 2 276.384 0.752 20 0 CCADLP CNC(=O)C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000428428187 389696758 /nfs/dbraw/zinc/69/67/58/389696758.db2.gz VMORTSLBYUKMBG-ZFWWWQNUSA-N 2 2 276.384 0.752 20 0 CCADLP CC(C)C[C@H]([NH2+]Cc1cocn1)C(=O)NCC[NH+](C)C ZINC000428862347 389724249 /nfs/dbraw/zinc/72/42/49/389724249.db2.gz NEMWJFMRSSOJQL-ZDUSSCGKSA-N 2 2 282.388 0.857 20 0 CCADLP Cc1cc(N2CC[C@H]([N@@H+]3CC[C@@H]([C@H](C)[NH3+])C3)C2=O)n(C)n1 ZINC000351859209 389700937 /nfs/dbraw/zinc/70/09/37/389700937.db2.gz FWFPIIDGWRTIMR-XQQFMLRXSA-N 2 2 291.399 0.503 20 0 CCADLP Cc1cc(N2CC[C@H]([N@H+]3CC[C@@H]([C@H](C)[NH3+])C3)C2=O)n(C)n1 ZINC000351859209 389700941 /nfs/dbraw/zinc/70/09/41/389700941.db2.gz FWFPIIDGWRTIMR-XQQFMLRXSA-N 2 2 291.399 0.503 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CO)CC1 ZINC000378670681 389760057 /nfs/dbraw/zinc/76/00/57/389760057.db2.gz CWNJXQAKYCHZSM-ZIAGYGMSSA-N 2 2 274.405 0.020 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](CO)CC1 ZINC000378670681 389760058 /nfs/dbraw/zinc/76/00/58/389760058.db2.gz CWNJXQAKYCHZSM-ZIAGYGMSSA-N 2 2 274.405 0.020 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000378670681 389760060 /nfs/dbraw/zinc/76/00/60/389760060.db2.gz CWNJXQAKYCHZSM-ZIAGYGMSSA-N 2 2 274.405 0.020 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](CO)CC1 ZINC000378670681 389760062 /nfs/dbraw/zinc/76/00/62/389760062.db2.gz CWNJXQAKYCHZSM-ZIAGYGMSSA-N 2 2 274.405 0.020 20 0 CCADLP C[C@H](C(=O)N1CCC(OCCC[NH3+])CC1)[NH+]1CCOCC1 ZINC000429619638 389762643 /nfs/dbraw/zinc/76/26/43/389762643.db2.gz OOVFLMJYTBBFSH-CYBMUJFWSA-N 2 2 299.415 0.064 20 0 CCADLP COC(=O)C1([NH2+]CCC(=O)N2CC[NH+](C)CC2)CCCC1 ZINC000429680509 389765016 /nfs/dbraw/zinc/76/50/16/389765016.db2.gz FEIZYOKXAQKXRD-UHFFFAOYSA-N 2 2 297.399 0.226 20 0 CCADLP CC[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@@]2(CCOC2)O1 ZINC000352368657 389799013 /nfs/dbraw/zinc/79/90/13/389799013.db2.gz JWULVTYVDCIKQA-ARFHVFGLSA-N 2 2 298.427 0.711 20 0 CCADLP CC[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@@]2(CCOC2)O1 ZINC000352368657 389799015 /nfs/dbraw/zinc/79/90/15/389799015.db2.gz JWULVTYVDCIKQA-ARFHVFGLSA-N 2 2 298.427 0.711 20 0 CCADLP CC[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C[C@@]2(CCOC2)O1 ZINC000352368657 389799017 /nfs/dbraw/zinc/79/90/17/389799017.db2.gz JWULVTYVDCIKQA-ARFHVFGLSA-N 2 2 298.427 0.711 20 0 CCADLP CC[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C[C@@]2(CCOC2)O1 ZINC000352368657 389799020 /nfs/dbraw/zinc/79/90/20/389799020.db2.gz JWULVTYVDCIKQA-ARFHVFGLSA-N 2 2 298.427 0.711 20 0 CCADLP COC(=O)[C@](C)(O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000429696016 389766876 /nfs/dbraw/zinc/76/68/76/389766876.db2.gz QSBGXMPYXHOISV-GFCCVEGCSA-N 2 2 255.318 0.129 20 0 CCADLP COC(=O)[C@](C)(O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000429696016 389766877 /nfs/dbraw/zinc/76/68/77/389766877.db2.gz QSBGXMPYXHOISV-GFCCVEGCSA-N 2 2 255.318 0.129 20 0 CCADLP CCN1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1=O ZINC000391606479 389773216 /nfs/dbraw/zinc/77/32/16/389773216.db2.gz LUDORJPRAUUAQZ-QJPTWQEYSA-N 2 2 251.374 0.822 20 0 CCADLP CCN1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1=O ZINC000391606479 389773219 /nfs/dbraw/zinc/77/32/19/389773219.db2.gz LUDORJPRAUUAQZ-QJPTWQEYSA-N 2 2 251.374 0.822 20 0 CCADLP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000416838624 389775456 /nfs/dbraw/zinc/77/54/56/389775456.db2.gz CGJIVMCKFOHNTQ-NEPJUHHUSA-N 2 2 265.361 0.700 20 0 CCADLP CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000397458316 389777863 /nfs/dbraw/zinc/77/78/63/389777863.db2.gz OCKIALFXGSTILQ-CHWSQXEVSA-N 2 2 299.415 0.964 20 0 CCADLP CN(C)C(=O)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352250223 389779040 /nfs/dbraw/zinc/77/90/40/389779040.db2.gz DYWWQQYWAZIQQK-UHFFFAOYSA-N 2 2 256.375 0.383 20 0 CCADLP [NH3+]CCNC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000416933715 389781710 /nfs/dbraw/zinc/78/17/10/389781710.db2.gz BSKKIOHGHLIJGM-UHFFFAOYSA-N 2 2 267.720 0.746 20 0 CCADLP CN(C)c1ccc(CNC(=O)N[C@@H]2CCC[NH2+]C2)c[nH+]1 ZINC000417006542 389788836 /nfs/dbraw/zinc/78/88/36/389788836.db2.gz JSNMVYGJRLGMIG-GFCCVEGCSA-N 2 2 277.372 0.699 20 0 CCADLP CC1(C(=O)N2CCN(c3cccc[nH+]3)CC2)C[NH2+]C1 ZINC000399164949 389789410 /nfs/dbraw/zinc/78/94/10/389789410.db2.gz AWHBBJKSHRNBKZ-UHFFFAOYSA-N 2 2 260.341 0.340 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000417027725 389791021 /nfs/dbraw/zinc/79/10/21/389791021.db2.gz NZJKHSYJMHBWHB-AGIUHOORSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[N@H+](C)CCCn1cc[nH+]c1 ZINC000183177675 389727011 /nfs/dbraw/zinc/72/70/11/389727011.db2.gz AGAJBCHGCRIYFC-NSHDSACASA-N 2 2 259.375 0.638 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000183177675 389727012 /nfs/dbraw/zinc/72/70/12/389727012.db2.gz AGAJBCHGCRIYFC-NSHDSACASA-N 2 2 259.375 0.638 20 0 CCADLP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)NC3CCOCC3)C2)C1 ZINC000429009113 389733204 /nfs/dbraw/zinc/73/32/04/389733204.db2.gz ZLUNLSBTOPFXAJ-OAHLLOKOSA-N 2 2 281.400 0.309 20 0 CCADLP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)NC3CCOCC3)C2)C1 ZINC000429009113 389733208 /nfs/dbraw/zinc/73/32/08/389733208.db2.gz ZLUNLSBTOPFXAJ-OAHLLOKOSA-N 2 2 281.400 0.309 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)NC3CCOCC3)C2)C1 ZINC000429009113 389733211 /nfs/dbraw/zinc/73/32/11/389733211.db2.gz ZLUNLSBTOPFXAJ-OAHLLOKOSA-N 2 2 281.400 0.309 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)NC3CCOCC3)C2)C1 ZINC000429009113 389733213 /nfs/dbraw/zinc/73/32/13/389733213.db2.gz ZLUNLSBTOPFXAJ-OAHLLOKOSA-N 2 2 281.400 0.309 20 0 CCADLP CC(C)C[C@@](C)(C[NH3+])NC(=O)NCC[NH+]1CCOCC1 ZINC000416431754 389742096 /nfs/dbraw/zinc/74/20/96/389742096.db2.gz INRVCZIDOZAODY-AWEZNQCLSA-N 2 2 286.420 0.381 20 0 CCADLP C[C@H]1CCN(C(=O)NCC[NH+]2CCOCC2)[C@H](C[NH3+])C1 ZINC000416432065 389742146 /nfs/dbraw/zinc/74/21/46/389742146.db2.gz DFYNQGLMWMVGNA-STQMWFEESA-N 2 2 284.404 0.087 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000416435841 389742987 /nfs/dbraw/zinc/74/29/87/389742987.db2.gz HAKVDGPATIELLV-WOPDTQHZSA-N 2 2 265.361 0.663 20 0 CCADLP C[C@H](C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)[NH+]1CCOCC1 ZINC000429191653 389744045 /nfs/dbraw/zinc/74/40/45/389744045.db2.gz XTNWHDGICBNEGR-XQQFMLRXSA-N 2 2 269.389 0.293 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCOCC2)C1 ZINC000429191649 389744073 /nfs/dbraw/zinc/74/40/73/389744073.db2.gz XTNWHDGICBNEGR-AVGNSLFASA-N 2 2 269.389 0.293 20 0 CCADLP C[C@@H]1CN(C(=O)NCCCn2cc[nH+]c2)[C@H](C)C[NH2+]1 ZINC000416443354 389744461 /nfs/dbraw/zinc/74/44/61/389744461.db2.gz ZBKYVZYVXUQLRS-VXGBXAGGSA-N 2 2 265.361 0.665 20 0 CCADLP CCc1nc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc(C)[nH+]1 ZINC000575073237 335062153 /nfs/dbraw/zinc/06/21/53/335062153.db2.gz WQXDVDCITKMRPS-GHMZBOCLSA-N 2 2 275.356 0.096 20 0 CCADLP C[C@](C[NH3+])([NH2+]CC(=O)NCc1cccnc1)C1CC1 ZINC000430542702 389806514 /nfs/dbraw/zinc/80/65/14/389806514.db2.gz CXYWRGLMOIRJOD-CQSZACIVSA-N 2 2 262.357 0.415 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NCc2cccnc2)C1 ZINC000430554872 389807790 /nfs/dbraw/zinc/80/77/90/389807790.db2.gz OECXLALKSSEPMT-TZMCWYRMSA-N 2 2 276.384 0.757 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NCc2cccnc2)C1 ZINC000430554872 389807791 /nfs/dbraw/zinc/80/77/91/389807791.db2.gz OECXLALKSSEPMT-TZMCWYRMSA-N 2 2 276.384 0.757 20 0 CCADLP C[N@H+](CC(=O)NC(=O)NCC(F)(F)F)CC(C)(C)C[NH3+] ZINC000430567355 389808729 /nfs/dbraw/zinc/80/87/29/389808729.db2.gz UVJNZHCMQMFDIW-UHFFFAOYSA-N 2 2 298.309 0.291 20 0 CCADLP C[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)CC(C)(C)C[NH3+] ZINC000430567355 389808730 /nfs/dbraw/zinc/80/87/30/389808730.db2.gz UVJNZHCMQMFDIW-UHFFFAOYSA-N 2 2 298.309 0.291 20 0 CCADLP Cc1cc(NC(=O)C[NH2+][C@](C)(C[NH3+])C2CC2)on1 ZINC000430582152 389809815 /nfs/dbraw/zinc/80/98/15/389809815.db2.gz KMLQGOSXZOYNGJ-GFCCVEGCSA-N 2 2 252.318 0.639 20 0 CCADLP CCc1cc(N2CC[C@H]3OCC[NH2+][C@@H]3C2)nc(C)[nH+]1 ZINC000404286565 389810748 /nfs/dbraw/zinc/81/07/48/389810748.db2.gz XWTDBSWQCRTQHR-CHWSQXEVSA-N 2 2 262.357 0.915 20 0 CCADLP CC1(C)NC(=O)N(CCC[N@@H+]2CCCC[C@H]2C[NH3+])C1=O ZINC000430608125 389811875 /nfs/dbraw/zinc/81/18/75/389811875.db2.gz CGONJDJDHXSPLJ-NSHDSACASA-N 2 2 282.388 0.520 20 0 CCADLP CC1(C)NC(=O)N(CCC[N@H+]2CCCC[C@H]2C[NH3+])C1=O ZINC000430608125 389811877 /nfs/dbraw/zinc/81/18/77/389811877.db2.gz CGONJDJDHXSPLJ-NSHDSACASA-N 2 2 282.388 0.520 20 0 CCADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000430604886 389812401 /nfs/dbraw/zinc/81/24/01/389812401.db2.gz OUVASZGCAIMBQB-LLVKDONJSA-N 2 2 265.401 0.962 20 0 CCADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000430604886 389812403 /nfs/dbraw/zinc/81/24/03/389812403.db2.gz OUVASZGCAIMBQB-LLVKDONJSA-N 2 2 265.401 0.962 20 0 CCADLP C[C@H]1CN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC[NH2+]1 ZINC000417411944 389813994 /nfs/dbraw/zinc/81/39/94/389813994.db2.gz DZUYADWGBCCTGV-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)NC[C@H]2CCC[NH2+]2)CCO1 ZINC000417425865 389814426 /nfs/dbraw/zinc/81/44/26/389814426.db2.gz MCPPSHXWALLUGK-GFCCVEGCSA-N 2 2 284.404 0.148 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)NC[C@H]2CCC[NH2+]2)CCO1 ZINC000417425865 389814429 /nfs/dbraw/zinc/81/44/29/389814429.db2.gz MCPPSHXWALLUGK-GFCCVEGCSA-N 2 2 284.404 0.148 20 0 CCADLP Cc1ccc([C@H]([NH3+])C(=O)NCC[N@H+]2CCOC[C@H]2C)cc1 ZINC000430633843 389814651 /nfs/dbraw/zinc/81/46/51/389814651.db2.gz QLISXNCGRDQFNN-HIFRSBDPSA-N 2 2 291.395 0.832 20 0 CCADLP Cc1ccc([C@H]([NH3+])C(=O)NCC[N@@H+]2CCOC[C@H]2C)cc1 ZINC000430633843 389814654 /nfs/dbraw/zinc/81/46/54/389814654.db2.gz QLISXNCGRDQFNN-HIFRSBDPSA-N 2 2 291.395 0.832 20 0 CCADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)NCc2cccnc2)C1 ZINC000430650548 389816380 /nfs/dbraw/zinc/81/63/80/389816380.db2.gz KEMQERPHUODRPX-GFCCVEGCSA-N 2 2 262.357 0.369 20 0 CCADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)NCc2cccnc2)C1 ZINC000430650548 389816383 /nfs/dbraw/zinc/81/63/83/389816383.db2.gz KEMQERPHUODRPX-GFCCVEGCSA-N 2 2 262.357 0.369 20 0 CCADLP C[C@H](NC(=O)NC[C@@H]1CCC[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000417519256 389825318 /nfs/dbraw/zinc/82/53/18/389825318.db2.gz MCXMZXAUBMZMMZ-AVGNSLFASA-N 2 2 284.404 0.147 20 0 CCADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)CC[NH3+])C2 ZINC000430872962 389830735 /nfs/dbraw/zinc/83/07/35/389830735.db2.gz NRNNXPSRKNDHER-JTQLQIEISA-N 2 2 264.373 0.960 20 0 CCADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)N2CC(=O)Nc3ccccc32)C1 ZINC000430917145 389833840 /nfs/dbraw/zinc/83/38/40/389833840.db2.gz CLECKANQUMZZKU-NSHDSACASA-N 2 2 288.351 0.252 20 0 CCADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)N2CC(=O)Nc3ccccc32)C1 ZINC000430917145 389833843 /nfs/dbraw/zinc/83/38/43/389833843.db2.gz CLECKANQUMZZKU-NSHDSACASA-N 2 2 288.351 0.252 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000430919510 389834903 /nfs/dbraw/zinc/83/49/03/389834903.db2.gz QVSYIPAOXCCWPL-WCQYABFASA-N 2 2 277.372 0.067 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000430919510 389834904 /nfs/dbraw/zinc/83/49/04/389834904.db2.gz QVSYIPAOXCCWPL-WCQYABFASA-N 2 2 277.372 0.067 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430925674 389835856 /nfs/dbraw/zinc/83/58/56/389835856.db2.gz LUKSKPYEFRYHIV-VXGBXAGGSA-N 2 2 262.419 0.869 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430925674 389835859 /nfs/dbraw/zinc/83/58/59/389835859.db2.gz LUKSKPYEFRYHIV-VXGBXAGGSA-N 2 2 262.419 0.869 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000430930850 389836456 /nfs/dbraw/zinc/83/64/56/389836456.db2.gz UUBDEYIDBDDZCB-ZDUSSCGKSA-N 2 2 297.424 0.506 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000430930850 389836459 /nfs/dbraw/zinc/83/64/59/389836459.db2.gz UUBDEYIDBDDZCB-ZDUSSCGKSA-N 2 2 297.424 0.506 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NC(=O)Nc2ccccc2)C1 ZINC000430957688 389839952 /nfs/dbraw/zinc/83/99/52/389839952.db2.gz PQQCDDQBDKDNHT-LBPRGKRZSA-N 2 2 290.367 0.876 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NC(=O)Nc2ccccc2)C1 ZINC000430957688 389839956 /nfs/dbraw/zinc/83/99/56/389839956.db2.gz PQQCDDQBDKDNHT-LBPRGKRZSA-N 2 2 290.367 0.876 20 0 CCADLP COc1ccc(CNC(=O)C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000430962820 389841333 /nfs/dbraw/zinc/84/13/33/389841333.db2.gz IBAOSLPGVXQYKN-DOMZBBRYSA-N 2 2 291.395 0.981 20 0 CCADLP COc1ccc(CNC(=O)C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000430962820 389841337 /nfs/dbraw/zinc/84/13/37/389841337.db2.gz IBAOSLPGVXQYKN-DOMZBBRYSA-N 2 2 291.395 0.981 20 0 CCADLP Cn1cc(C[NH+]2CCN(C(=O)C(C)(C)C[NH3+])CC2)cn1 ZINC000431010643 389844327 /nfs/dbraw/zinc/84/43/27/389844327.db2.gz QOXVXMCJDLOFQV-UHFFFAOYSA-N 2 2 279.388 0.049 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000353095670 389845484 /nfs/dbraw/zinc/84/54/84/389845484.db2.gz XVWGVJYXZDEMBD-GRYCIOLGSA-N 2 2 295.349 0.789 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000353095670 389845486 /nfs/dbraw/zinc/84/54/86/389845486.db2.gz XVWGVJYXZDEMBD-GRYCIOLGSA-N 2 2 295.349 0.789 20 0 CCADLP C[NH2+]CCCC(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000431039005 389847260 /nfs/dbraw/zinc/84/72/60/389847260.db2.gz FZDNDCBAJHKHHJ-UHFFFAOYSA-N 2 2 283.376 0.482 20 0 CCADLP C[C@@H]1CC[N@H+](C)CCN1c1ncnc2c1C[NH+](C)CC2 ZINC000354080473 389859097 /nfs/dbraw/zinc/85/90/97/389859097.db2.gz VBKCUXPBUFFDLM-GFCCVEGCSA-N 2 2 275.400 0.995 20 0 CCADLP C[C@@H]1CC[N@@H+](C)CCN1c1ncnc2c1C[NH+](C)CC2 ZINC000354080473 389859099 /nfs/dbraw/zinc/85/90/99/389859099.db2.gz VBKCUXPBUFFDLM-GFCCVEGCSA-N 2 2 275.400 0.995 20 0 CCADLP C[C@@H]1CC[NH+](C)CCN1c1ncnc2c1C[N@H+](C)CC2 ZINC000354080473 389859102 /nfs/dbraw/zinc/85/91/02/389859102.db2.gz VBKCUXPBUFFDLM-GFCCVEGCSA-N 2 2 275.400 0.995 20 0 CCADLP C[C@@H]1CC[NH+](C)CCN1c1ncnc2c1C[N@@H+](C)CC2 ZINC000354080473 389859104 /nfs/dbraw/zinc/85/91/04/389859104.db2.gz VBKCUXPBUFFDLM-GFCCVEGCSA-N 2 2 275.400 0.995 20 0 CCADLP CCn1c[nH+]cc1C[NH2+][C@@H](C(=O)N1CCOCC1)C(C)C ZINC000417948504 389862055 /nfs/dbraw/zinc/86/20/55/389862055.db2.gz SWMIIWGHMUUURL-CQSZACIVSA-N 2 2 294.399 0.876 20 0 CCADLP CCn1c[nH+]cc1CN1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000418037843 389867281 /nfs/dbraw/zinc/86/72/81/389867281.db2.gz XTYWOLCKBPWODD-STQMWFEESA-N 2 2 266.389 0.790 20 0 CCADLP CCn1c[nH+]cc1CN1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000418037843 389867284 /nfs/dbraw/zinc/86/72/84/389867284.db2.gz XTYWOLCKBPWODD-STQMWFEESA-N 2 2 266.389 0.790 20 0 CCADLP C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1c[nH+]ccc1N ZINC000444169856 389894203 /nfs/dbraw/zinc/89/42/03/389894203.db2.gz LEWJJGLVKVXYRV-NSHDSACASA-N 2 2 278.356 0.335 20 0 CCADLP C[C@H](C[N@H+](C)[C@@H]1CCC[NH2+]CC1)CS(C)(=O)=O ZINC000435622854 389959465 /nfs/dbraw/zinc/95/94/65/389959465.db2.gz FLHVNAQUTXBRRT-VXGBXAGGSA-N 2 2 262.419 0.741 20 0 CCADLP C[C@H](C[N@@H+](C)[C@@H]1CCC[NH2+]CC1)CS(C)(=O)=O ZINC000435622854 389959466 /nfs/dbraw/zinc/95/94/66/389959466.db2.gz FLHVNAQUTXBRRT-VXGBXAGGSA-N 2 2 262.419 0.741 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000447655329 389961163 /nfs/dbraw/zinc/96/11/63/389961163.db2.gz AICUQEOHHNRJSC-UHFFFAOYSA-N 2 2 285.432 0.897 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000447655329 389961164 /nfs/dbraw/zinc/96/11/64/389961164.db2.gz AICUQEOHHNRJSC-UHFFFAOYSA-N 2 2 285.432 0.897 20 0 CCADLP CCC[NH+](C)CC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000447655329 389961167 /nfs/dbraw/zinc/96/11/67/389961167.db2.gz AICUQEOHHNRJSC-UHFFFAOYSA-N 2 2 285.432 0.897 20 0 CCADLP CCC[NH+](C)CC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000447655329 389961168 /nfs/dbraw/zinc/96/11/68/389961168.db2.gz AICUQEOHHNRJSC-UHFFFAOYSA-N 2 2 285.432 0.897 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000447656645 389961954 /nfs/dbraw/zinc/96/19/54/389961954.db2.gz AOUJMSZPTBOTNH-CYBMUJFWSA-N 2 2 271.405 0.506 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000447656645 389961956 /nfs/dbraw/zinc/96/19/56/389961956.db2.gz AOUJMSZPTBOTNH-CYBMUJFWSA-N 2 2 271.405 0.506 20 0 CCADLP C[C@H](C(=O)N(C)[C@H]1CCC[NH2+]CC1)[NH+]1CCOCC1 ZINC000435753702 389962505 /nfs/dbraw/zinc/96/25/05/389962505.db2.gz AZADOYUYKIGFHH-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP CCc1nc(CN2CC[NH+](CCC[NH2+]C)CC2)no1 ZINC000435877275 389964860 /nfs/dbraw/zinc/96/48/60/389964860.db2.gz PJBVDNZAFIQHBJ-UHFFFAOYSA-N 2 2 267.377 0.359 20 0 CCADLP Cc1[nH+]ccn1-c1cncc(NCC(F)(F)C[NH3+])n1 ZINC000420239069 389970878 /nfs/dbraw/zinc/97/08/78/389970878.db2.gz LYNZMFDHIDUILC-UHFFFAOYSA-N 2 2 268.271 0.977 20 0 CCADLP CCC[C@H](O)[C@H](CO)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000419801337 389916948 /nfs/dbraw/zinc/91/69/48/389916948.db2.gz ANMRLBUVWRRKIC-STQMWFEESA-N 2 2 263.341 0.946 20 0 CCADLP O=S1(=O)CC[C@@H](C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000434543373 389937389 /nfs/dbraw/zinc/93/73/89/389937389.db2.gz GRNKNYYUKZBQNW-KBPBESRZSA-N 2 2 286.441 0.839 20 0 CCADLP O=S1(=O)CC[C@@H](C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000434543373 389937391 /nfs/dbraw/zinc/93/73/91/389937391.db2.gz GRNKNYYUKZBQNW-KBPBESRZSA-N 2 2 286.441 0.839 20 0 CCADLP COCCO[C@H]1C[C@@H](CO)C[N@H+](CCCn2cc[nH+]c2)C1 ZINC000447398324 389953777 /nfs/dbraw/zinc/95/37/77/389953777.db2.gz RBHRXYMEXZQDGO-CABCVRRESA-N 2 2 297.399 0.619 20 0 CCADLP COCCO[C@H]1C[C@@H](CO)C[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000447398324 389953780 /nfs/dbraw/zinc/95/37/80/389953780.db2.gz RBHRXYMEXZQDGO-CABCVRRESA-N 2 2 297.399 0.619 20 0 CCADLP O[C@H]1C[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@@H]1O ZINC000420925709 390038143 /nfs/dbraw/zinc/03/81/43/390038143.db2.gz WORZMEMAAUYTMU-HOTGVXAUSA-N 2 2 292.379 0.056 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H](CC)O1 ZINC000420946416 390039513 /nfs/dbraw/zinc/03/95/13/390039513.db2.gz BSLBPQSKJJTEMH-OKILXGFUSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H](CC)O1 ZINC000420946416 390039514 /nfs/dbraw/zinc/03/95/14/390039514.db2.gz BSLBPQSKJJTEMH-OKILXGFUSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@@H]1CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H]1C[NH3+] ZINC000420283594 389978036 /nfs/dbraw/zinc/97/80/36/389978036.db2.gz CGBBVCYMTWOOTR-ZIAGYGMSSA-N 3 2 282.432 0.210 20 0 CCADLP C[C@@H]1CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H]1C[NH3+] ZINC000420283594 389978038 /nfs/dbraw/zinc/97/80/38/389978038.db2.gz CGBBVCYMTWOOTR-ZIAGYGMSSA-N 3 2 282.432 0.210 20 0 CCADLP COc1ccc([C@@H](C[NH3+])C[N@H+](C)CC(=O)N(C)C)cc1 ZINC000420297739 389980001 /nfs/dbraw/zinc/98/00/01/389980001.db2.gz DJXSQVPQUXHLFO-ZDUSSCGKSA-N 2 2 279.384 0.758 20 0 CCADLP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)CC(=O)N(C)C)cc1 ZINC000420297739 389980002 /nfs/dbraw/zinc/98/00/02/389980002.db2.gz DJXSQVPQUXHLFO-ZDUSSCGKSA-N 2 2 279.384 0.758 20 0 CCADLP CC(C)COCC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420304411 389980705 /nfs/dbraw/zinc/98/07/05/389980705.db2.gz IVRUTPSZOFTYNN-AWEZNQCLSA-N 2 2 283.416 0.555 20 0 CCADLP CC(C)COCC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420304411 389980706 /nfs/dbraw/zinc/98/07/06/389980706.db2.gz IVRUTPSZOFTYNN-AWEZNQCLSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000448231920 389981126 /nfs/dbraw/zinc/98/11/26/389981126.db2.gz VPDAJVKNLZDGMG-HIFRSBDPSA-N 2 2 291.395 0.913 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000448231920 389981128 /nfs/dbraw/zinc/98/11/28/389981128.db2.gz VPDAJVKNLZDGMG-HIFRSBDPSA-N 2 2 291.395 0.913 20 0 CCADLP COCc1ccccc1CNC(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000420342978 389986857 /nfs/dbraw/zinc/98/68/57/389986857.db2.gz WIZCXWYYTXDILF-UHFFFAOYSA-N 2 2 291.395 0.871 20 0 CCADLP COCc1ccccc1CNC(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000420342978 389986858 /nfs/dbraw/zinc/98/68/58/389986858.db2.gz WIZCXWYYTXDILF-UHFFFAOYSA-N 2 2 291.395 0.871 20 0 CCADLP CCN(Cc1cccc(F)c1)C(=O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000420349436 389987711 /nfs/dbraw/zinc/98/77/11/389987711.db2.gz CWYYFHZEWVSUGU-CQSZACIVSA-N 2 2 297.374 0.426 20 0 CCADLP CCN(Cc1cccc(F)c1)C(=O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420349436 389987713 /nfs/dbraw/zinc/98/77/13/389987713.db2.gz CWYYFHZEWVSUGU-CQSZACIVSA-N 2 2 297.374 0.426 20 0 CCADLP C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420349404 389988078 /nfs/dbraw/zinc/98/80/78/389988078.db2.gz CVFUTMMRZUUQDK-FZMZJTMJSA-N 2 2 297.374 0.124 20 0 CCADLP C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420349404 389988080 /nfs/dbraw/zinc/98/80/80/389988080.db2.gz CVFUTMMRZUUQDK-FZMZJTMJSA-N 2 2 297.374 0.124 20 0 CCADLP C[C@@H]1C(=O)NCCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420352462 389989619 /nfs/dbraw/zinc/98/96/19/389989619.db2.gz AQFOSHAHNSRSMY-SNPRPXQTSA-N 2 2 291.395 0.128 20 0 CCADLP C[C@@H]1C(=O)NCCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420352462 389989622 /nfs/dbraw/zinc/98/96/22/389989622.db2.gz AQFOSHAHNSRSMY-SNPRPXQTSA-N 2 2 291.395 0.128 20 0 CCADLP CCOc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000420354000 389990442 /nfs/dbraw/zinc/99/04/42/389990442.db2.gz NUSQIELWKDMVMA-WCQYABFASA-N 2 2 295.383 0.664 20 0 CCADLP CCOc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000420354000 389990444 /nfs/dbraw/zinc/99/04/44/389990444.db2.gz NUSQIELWKDMVMA-WCQYABFASA-N 2 2 295.383 0.664 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420357585 389991013 /nfs/dbraw/zinc/99/10/13/389991013.db2.gz DNIJAAZVKGUNDE-HOCLYGCPSA-N 2 2 297.443 0.993 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420357585 389991014 /nfs/dbraw/zinc/99/10/14/389991014.db2.gz DNIJAAZVKGUNDE-HOCLYGCPSA-N 2 2 297.443 0.993 20 0 CCADLP COCCCNC(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420381723 389994618 /nfs/dbraw/zinc/99/46/18/389994618.db2.gz ZIJIITVUEYJYAQ-FVCCEPFGSA-N 2 2 271.405 0.504 20 0 CCADLP C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420388212 389995538 /nfs/dbraw/zinc/99/55/38/389995538.db2.gz WZAKDGANFQFWAK-WOPDTQHZSA-N 2 2 277.372 0.720 20 0 CCADLP C[C@@H](C(=O)Nc1ncccn1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420388212 389995539 /nfs/dbraw/zinc/99/55/39/389995539.db2.gz WZAKDGANFQFWAK-WOPDTQHZSA-N 2 2 277.372 0.720 20 0 CCADLP O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccncc1 ZINC000420393898 389996180 /nfs/dbraw/zinc/99/61/80/389996180.db2.gz KEDHQHHUNADIIN-UKRRQHHQSA-N 2 2 288.395 0.906 20 0 CCADLP O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccncc1 ZINC000420393898 389996181 /nfs/dbraw/zinc/99/61/81/389996181.db2.gz KEDHQHHUNADIIN-UKRRQHHQSA-N 2 2 288.395 0.906 20 0 CCADLP C[NH2+]CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000420391683 389996207 /nfs/dbraw/zinc/99/62/07/389996207.db2.gz TUGYYKJKBCTNNP-LLVKDONJSA-N 2 2 292.383 0.654 20 0 CCADLP C[NH2+]CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000420391683 389996208 /nfs/dbraw/zinc/99/62/08/389996208.db2.gz TUGYYKJKBCTNNP-LLVKDONJSA-N 2 2 292.383 0.654 20 0 CCADLP CCOC(=O)[C@@H]([NH2+]CCC(=O)N1CC[NH2+]CC1)[C@H](C)CC ZINC000420391882 389996227 /nfs/dbraw/zinc/99/62/27/389996227.db2.gz BECSEXYIZULZLZ-OCCSQVGLSA-N 2 2 299.415 0.376 20 0 CCADLP Cn1c(CCN2CCO[C@@H]3C[NH2+]C[C@@H]32)[nH+]c2ccccc21 ZINC000420406695 389998123 /nfs/dbraw/zinc/99/81/23/389998123.db2.gz RQNSTTIFDFUIHO-LSDHHAIUSA-N 2 2 286.379 0.788 20 0 CCADLP CN(CC[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+]2CCO[C@H]1C2 ZINC000451137151 390000662 /nfs/dbraw/zinc/00/06/62/390000662.db2.gz HMSOWVWXBDHGDW-KKUMJFAQSA-N 2 2 267.417 0.876 20 0 CCADLP CN(CC[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+]2CCO[C@H]1C2 ZINC000451137151 390000665 /nfs/dbraw/zinc/00/06/65/390000665.db2.gz HMSOWVWXBDHGDW-KKUMJFAQSA-N 2 2 267.417 0.876 20 0 CCADLP CN(CC[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000451137151 390000667 /nfs/dbraw/zinc/00/06/67/390000667.db2.gz HMSOWVWXBDHGDW-KKUMJFAQSA-N 2 2 267.417 0.876 20 0 CCADLP Cc1nc(N(C)C[C@H]2CCC[N@@H+]2C)nc(N(C)C)[nH+]1 ZINC000420628426 390018524 /nfs/dbraw/zinc/01/85/24/390018524.db2.gz ASVKILIHYDZKTM-LLVKDONJSA-N 2 2 264.377 0.776 20 0 CCADLP Cc1nc(N(C)C[C@H]2CCC[N@H+]2C)nc(N(C)C)[nH+]1 ZINC000420628426 390018527 /nfs/dbraw/zinc/01/85/27/390018527.db2.gz ASVKILIHYDZKTM-LLVKDONJSA-N 2 2 264.377 0.776 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](CCO)C[C@H]1C)[NH+]1CCCCCC1 ZINC000457079618 390027015 /nfs/dbraw/zinc/02/70/15/390027015.db2.gz AHCDIQUWBLQGJX-CABCVRRESA-N 2 2 297.443 0.776 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](CCO)C[C@H]1C)[NH+]1CCCCCC1 ZINC000457079618 390027017 /nfs/dbraw/zinc/02/70/17/390027017.db2.gz AHCDIQUWBLQGJX-CABCVRRESA-N 2 2 297.443 0.776 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H](C)[NH+](C)C ZINC000459038394 390068089 /nfs/dbraw/zinc/06/80/89/390068089.db2.gz HLXGRPAWMFBNRB-QWHCGFSZSA-N 2 2 286.420 0.299 20 0 CCADLP c1n[nH]cc1CC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000459340284 390072895 /nfs/dbraw/zinc/07/28/95/390072895.db2.gz IGJPKTHORWVNAU-OAHLLOKOSA-N 2 2 278.400 0.996 20 0 CCADLP c1n[nH]cc1CC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000459340284 390072896 /nfs/dbraw/zinc/07/28/96/390072896.db2.gz IGJPKTHORWVNAU-OAHLLOKOSA-N 2 2 278.400 0.996 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000487628745 390089089 /nfs/dbraw/zinc/08/90/89/390089089.db2.gz BZTHEXZRDLFJMJ-STQMWFEESA-N 2 2 281.400 0.165 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000487628745 390089090 /nfs/dbraw/zinc/08/90/90/390089090.db2.gz BZTHEXZRDLFJMJ-STQMWFEESA-N 2 2 281.400 0.165 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000458214384 390054201 /nfs/dbraw/zinc/05/42/01/390054201.db2.gz MPUPSHYKRCZWSW-KBPBESRZSA-N 2 2 283.416 0.555 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000458214384 390054202 /nfs/dbraw/zinc/05/42/02/390054202.db2.gz MPUPSHYKRCZWSW-KBPBESRZSA-N 2 2 283.416 0.555 20 0 CCADLP CC[NH+]1CCOC[C@H]1C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458214384 390054203 /nfs/dbraw/zinc/05/42/03/390054203.db2.gz MPUPSHYKRCZWSW-KBPBESRZSA-N 2 2 283.416 0.555 20 0 CCADLP CC[NH+]1CCOC[C@H]1C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000458214384 390054204 /nfs/dbraw/zinc/05/42/04/390054204.db2.gz MPUPSHYKRCZWSW-KBPBESRZSA-N 2 2 283.416 0.555 20 0 CCADLP CCN(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C1COC1 ZINC000458607857 390060427 /nfs/dbraw/zinc/06/04/27/390060427.db2.gz XSWVCYJDVCXATC-UHFFFAOYSA-N 2 2 298.431 0.443 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)NCCOCC[NH+](C)C ZINC000458686347 390061661 /nfs/dbraw/zinc/06/16/61/390061661.db2.gz GCSXTPVOKQRIPT-UHFFFAOYSA-N 2 2 296.371 0.468 20 0 CCADLP O=C(C[N@H+](C1CC1)C1CC[NH2+]CC1)NC1CCOCC1 ZINC000647815334 390179607 /nfs/dbraw/zinc/17/96/07/390179607.db2.gz ZYNWMMBOLHYCAJ-UHFFFAOYSA-N 2 2 281.400 0.498 20 0 CCADLP O=C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)NC1CCOCC1 ZINC000647815334 390179614 /nfs/dbraw/zinc/17/96/14/390179614.db2.gz ZYNWMMBOLHYCAJ-UHFFFAOYSA-N 2 2 281.400 0.498 20 0 CCADLP C[N@H+](CCN1CC[NH2+]CC1)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000647835104 390185831 /nfs/dbraw/zinc/18/58/31/390185831.db2.gz NBMMVGZMIUBEBK-CQSZACIVSA-N 2 2 294.374 0.189 20 0 CCADLP C[N@@H+](CCN1CC[NH2+]CC1)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000647835104 390185835 /nfs/dbraw/zinc/18/58/35/390185835.db2.gz NBMMVGZMIUBEBK-CQSZACIVSA-N 2 2 294.374 0.189 20 0 CCADLP Cc1cnc([C@@H](C)[N@H+](C)CCN2CC[NH2+]CC2)o1 ZINC000647836249 390186643 /nfs/dbraw/zinc/18/66/43/390186643.db2.gz VTMITLXTQWKDAA-GFCCVEGCSA-N 2 2 252.362 0.881 20 0 CCADLP Cc1cnc([C@@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)o1 ZINC000647836249 390186645 /nfs/dbraw/zinc/18/66/45/390186645.db2.gz VTMITLXTQWKDAA-GFCCVEGCSA-N 2 2 252.362 0.881 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)/C=C/c2[nH]cc[nH+]2)CCO1 ZINC000493235987 390121432 /nfs/dbraw/zinc/12/14/32/390121432.db2.gz GPHBCZXVLPLPLS-ONEGZZNKSA-N 2 2 278.356 0.650 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)/C=C/c2[nH]cc[nH+]2)CCO1 ZINC000493235987 390121433 /nfs/dbraw/zinc/12/14/33/390121433.db2.gz GPHBCZXVLPLPLS-ONEGZZNKSA-N 2 2 278.356 0.650 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000493308922 390123035 /nfs/dbraw/zinc/12/30/35/390123035.db2.gz WUEBXWKTDBQUCN-GHEOONOUSA-N 2 2 274.368 0.936 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000493308922 390123036 /nfs/dbraw/zinc/12/30/36/390123036.db2.gz WUEBXWKTDBQUCN-GHEOONOUSA-N 2 2 274.368 0.936 20 0 CCADLP COCCCNC(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534580980 390129828 /nfs/dbraw/zinc/12/98/28/390129828.db2.gz YCQUORRATLEICN-GFCCVEGCSA-N 2 2 280.372 0.362 20 0 CCADLP COCCCNC(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534580980 390129831 /nfs/dbraw/zinc/12/98/31/390129831.db2.gz YCQUORRATLEICN-GFCCVEGCSA-N 2 2 280.372 0.362 20 0 CCADLP O=C1NCCN1[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000535747074 390150562 /nfs/dbraw/zinc/15/05/62/390150562.db2.gz XDDREBBTLAHPBV-LBPRGKRZSA-N 2 2 263.345 0.373 20 0 CCADLP O=C1NCCN1[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000535747074 390150563 /nfs/dbraw/zinc/15/05/63/390150563.db2.gz XDDREBBTLAHPBV-LBPRGKRZSA-N 2 2 263.345 0.373 20 0 CCADLP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000579211205 390151184 /nfs/dbraw/zinc/15/11/84/390151184.db2.gz XCBOXCZPQBQIRT-QWHCGFSZSA-N 3 2 285.436 0.001 20 0 CCADLP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000579211205 390151188 /nfs/dbraw/zinc/15/11/88/390151188.db2.gz XCBOXCZPQBQIRT-QWHCGFSZSA-N 3 2 285.436 0.001 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C[C@H](O)C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000579224320 390152218 /nfs/dbraw/zinc/15/22/18/390152218.db2.gz AXEFFXAVYKIIST-QKPAOTATSA-N 2 2 299.459 0.483 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C[C@H](O)C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000579224320 390152220 /nfs/dbraw/zinc/15/22/20/390152220.db2.gz AXEFFXAVYKIIST-QKPAOTATSA-N 2 2 299.459 0.483 20 0 CCADLP CC[C@@H]1C[NH+](C)CCN1C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000579224320 390152222 /nfs/dbraw/zinc/15/22/22/390152222.db2.gz AXEFFXAVYKIIST-QKPAOTATSA-N 2 2 299.459 0.483 20 0 CCADLP CC[C@@H]1C[NH+](C)CCN1C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000579224320 390152224 /nfs/dbraw/zinc/15/22/24/390152224.db2.gz AXEFFXAVYKIIST-QKPAOTATSA-N 2 2 299.459 0.483 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000536068270 390157036 /nfs/dbraw/zinc/15/70/36/390157036.db2.gz YUFFUUHHTHPBPL-OLZOCXBDSA-N 2 2 292.383 0.505 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000536068270 390157037 /nfs/dbraw/zinc/15/70/37/390157037.db2.gz YUFFUUHHTHPBPL-OLZOCXBDSA-N 2 2 292.383 0.505 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000536068271 390157112 /nfs/dbraw/zinc/15/71/12/390157112.db2.gz YUFFUUHHTHPBPL-QWHCGFSZSA-N 2 2 292.383 0.505 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000536068271 390157114 /nfs/dbraw/zinc/15/71/14/390157114.db2.gz YUFFUUHHTHPBPL-QWHCGFSZSA-N 2 2 292.383 0.505 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H]([NH3+])C2)CC1 ZINC000647814629 390179014 /nfs/dbraw/zinc/17/90/14/390179014.db2.gz WWIIVZMQVJWCNB-HNNXBMFYSA-N 3 2 268.449 0.826 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H]([NH3+])C2)CC1 ZINC000647814629 390179017 /nfs/dbraw/zinc/17/90/17/390179017.db2.gz WWIIVZMQVJWCNB-HNNXBMFYSA-N 3 2 268.449 0.826 20 0 CCADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC000647869154 390199816 /nfs/dbraw/zinc/19/98/16/390199816.db2.gz BKWHZZIGPHHBBY-ZDUSSCGKSA-N 2 2 278.360 0.532 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CS(=O)(=O)CCO2)[C@H](C)C1 ZINC000539066813 390202227 /nfs/dbraw/zinc/20/22/27/390202227.db2.gz QUMOZGDGFFAMSJ-UPJWGTAASA-N 2 2 290.429 0.120 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CS(=O)(=O)CCO2)[C@H](C)C1 ZINC000539066813 390202229 /nfs/dbraw/zinc/20/22/29/390202229.db2.gz QUMOZGDGFFAMSJ-UPJWGTAASA-N 2 2 290.429 0.120 20 0 CCADLP CC[N@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)CS(=O)(=O)CC ZINC000647885782 390208203 /nfs/dbraw/zinc/20/82/03/390208203.db2.gz PMSZCGMVNUWLAY-VXGBXAGGSA-N 2 2 262.419 0.741 20 0 CCADLP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)CS(=O)(=O)CC ZINC000647885782 390208205 /nfs/dbraw/zinc/20/82/05/390208205.db2.gz PMSZCGMVNUWLAY-VXGBXAGGSA-N 2 2 262.419 0.741 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)CC[C@@H]1[NH3+] ZINC000647934315 390222110 /nfs/dbraw/zinc/22/21/10/390222110.db2.gz ADUKAWDMWOGGRX-OLZOCXBDSA-N 2 2 253.390 0.914 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)CC[C@@H]1[NH3+] ZINC000647934315 390222113 /nfs/dbraw/zinc/22/21/13/390222113.db2.gz ADUKAWDMWOGGRX-OLZOCXBDSA-N 2 2 253.390 0.914 20 0 CCADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ncccn2)CC[C@H]1[NH3+] ZINC000647940080 390223031 /nfs/dbraw/zinc/22/30/31/390223031.db2.gz LQSWRDORKQVYCP-IJLUTSLNSA-N 2 2 277.372 0.863 20 0 CCADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ncccn2)CC[C@H]1[NH3+] ZINC000647940080 390223032 /nfs/dbraw/zinc/22/30/32/390223032.db2.gz LQSWRDORKQVYCP-IJLUTSLNSA-N 2 2 277.372 0.863 20 0 CCADLP C[C@@H]([NH3+])[C@H]1C[N@H+](CCC(=O)Nc2cccnc2)CCO1 ZINC000647865864 390198166 /nfs/dbraw/zinc/19/81/66/390198166.db2.gz VRRXIKSTALLSHZ-DGCLKSJQSA-N 2 2 278.356 0.458 20 0 CCADLP C[C@@H]([NH3+])[C@H]1C[N@@H+](CCC(=O)Nc2cccnc2)CCO1 ZINC000647865864 390198170 /nfs/dbraw/zinc/19/81/70/390198170.db2.gz VRRXIKSTALLSHZ-DGCLKSJQSA-N 2 2 278.356 0.458 20 0 CCADLP CCCCNC(=O)CC[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000647865718 390198357 /nfs/dbraw/zinc/19/83/57/390198357.db2.gz RGVKZZWIHMABGG-RYUDHWBXSA-N 2 2 257.378 0.341 20 0 CCADLP CCCCNC(=O)CC[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000647865718 390198360 /nfs/dbraw/zinc/19/83/60/390198360.db2.gz RGVKZZWIHMABGG-RYUDHWBXSA-N 2 2 257.378 0.341 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(c2nc[nH+]c3c2OCCN3)C[C@@H]1C ZINC000647867277 390199396 /nfs/dbraw/zinc/19/93/96/390199396.db2.gz DKZJMOHWRJOFSF-QWRGUYRKSA-N 2 2 293.371 0.172 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(c2nc[nH+]c3c2OCCN3)C[C@@H]1C ZINC000647867277 390199401 /nfs/dbraw/zinc/19/94/01/390199401.db2.gz DKZJMOHWRJOFSF-QWRGUYRKSA-N 2 2 293.371 0.172 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC000580231200 390232061 /nfs/dbraw/zinc/23/20/61/390232061.db2.gz ZQUUPEKKGWWIEG-GFCCVEGCSA-N 2 2 264.373 0.809 20 0 CCADLP CC(C)[N@H+]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC000580231200 390232063 /nfs/dbraw/zinc/23/20/63/390232063.db2.gz ZQUUPEKKGWWIEG-GFCCVEGCSA-N 2 2 264.373 0.809 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC2(C1)CCCC2 ZINC000583574696 390294500 /nfs/dbraw/zinc/29/45/00/390294500.db2.gz HBLZRBAREDXXEW-CYBMUJFWSA-N 2 2 256.390 0.802 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC2(C1)CCCC2 ZINC000583574696 390294502 /nfs/dbraw/zinc/29/45/02/390294502.db2.gz 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C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H](n2ccnn2)C1)C1CC1 ZINC000519596635 390514878 /nfs/dbraw/zinc/51/48/78/390514878.db2.gz SBXFZYOEFXDYOD-UONOGXRCSA-N 2 2 279.388 0.370 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H](n2ccnn2)C1)C1CC1 ZINC000519596635 390514880 /nfs/dbraw/zinc/51/48/80/390514880.db2.gz SBXFZYOEFXDYOD-UONOGXRCSA-N 2 2 279.388 0.370 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H](n2ccnn2)C1)C1CC1 ZINC000519596635 390514885 /nfs/dbraw/zinc/51/48/85/390514885.db2.gz SBXFZYOEFXDYOD-UONOGXRCSA-N 2 2 279.388 0.370 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)Nc1ccc(N(C)CCO)c[nH+]1 ZINC000643478617 390453401 /nfs/dbraw/zinc/45/34/01/390453401.db2.gz NPXZXBWZGHFCAP-QWHCGFSZSA-N 2 2 294.399 0.689 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@H]2CC2(C)C)C[C@@H](C)O1 ZINC000520569058 390580691 /nfs/dbraw/zinc/58/06/91/390580691.db2.gz RIPOVTJWOJCBBC-LPWJVIDDSA-N 2 2 256.390 0.845 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@H](C)[NH+]2CC(C)C2)[C@H](C)C1 ZINC000565726983 390540544 /nfs/dbraw/zinc/54/05/44/390540544.db2.gz XMISPSPASJZBAD-OLZOCXBDSA-N 2 2 253.390 0.879 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@H](C)[NH+]2CC(C)C2)[C@H](C)C1 ZINC000565726983 390540548 /nfs/dbraw/zinc/54/05/48/390540548.db2.gz XMISPSPASJZBAD-OLZOCXBDSA-N 2 2 253.390 0.879 20 0 CCADLP O=C(NCCc1cn2ccccc2[nH+]1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649284565 390549795 /nfs/dbraw/zinc/54/97/95/390549795.db2.gz HZEZJLLVMSKQHL-IMRBUKKESA-N 2 2 270.336 0.458 20 0 CCADLP O=C1c2ccccc2C(=O)N1CC[NH2+][C@@H]1CCC[NH2+]C1 ZINC000520197428 390558031 /nfs/dbraw/zinc/55/80/31/390558031.db2.gz SPHWGKZRRZZSOQ-LLVKDONJSA-N 2 2 273.336 0.624 20 0 CCADLP COc1ccccc1[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000649304761 390564179 /nfs/dbraw/zinc/56/41/79/390564179.db2.gz FUFMTAMMASIVJS-RISCZKNCSA-N 2 2 277.368 0.905 20 0 CCADLP COc1ccccc1[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000649304761 390564184 /nfs/dbraw/zinc/56/41/84/390564184.db2.gz FUFMTAMMASIVJS-RISCZKNCSA-N 2 2 277.368 0.905 20 0 CCADLP O=C(NCCNc1ccc2ccccc2[nH+]1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649306781 390566346 /nfs/dbraw/zinc/56/63/46/390566346.db2.gz OOUDLZUNCKSBBW-YUELXQCFSA-N 2 2 296.374 0.935 20 0 CCADLP CC1(C(=O)NCC[NH+]2Cc3ccccc3C2)C[NH2+]C1 ZINC000649306285 390567231 /nfs/dbraw/zinc/56/72/31/390567231.db2.gz KHTCBJQJJDVFCA-UHFFFAOYSA-N 2 2 259.353 0.728 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]([NH3+])Cc2ccccc2)CCO1 ZINC000649312387 390570638 /nfs/dbraw/zinc/57/06/38/390570638.db2.gz LKIBJAKKSGAKKN-UKRRQHHQSA-N 2 2 291.395 0.393 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]([NH3+])Cc2ccccc2)CCO1 ZINC000649312387 390570643 /nfs/dbraw/zinc/57/06/43/390570643.db2.gz LKIBJAKKSGAKKN-UKRRQHHQSA-N 2 2 291.395 0.393 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CCO1 ZINC000649312416 390572614 /nfs/dbraw/zinc/57/26/14/390572614.db2.gz NXOGZZUVQPZESQ-AEGPPILISA-N 2 2 295.427 0.459 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CCO1 ZINC000649312416 390572616 /nfs/dbraw/zinc/57/26/16/390572616.db2.gz NXOGZZUVQPZESQ-AEGPPILISA-N 2 2 295.427 0.459 20 0 CCADLP CC[N@H+](C)C[C@@H](O)Cn1ncc2c1nc[nH+]c2NC ZINC000566480940 390620439 /nfs/dbraw/zinc/62/04/39/390620439.db2.gz GOMMQUJJIDDGKC-SECBINFHSA-N 2 2 264.333 0.181 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)Cn1ncc2c1nc[nH+]c2NC ZINC000566480940 390620441 /nfs/dbraw/zinc/62/04/41/390620441.db2.gz GOMMQUJJIDDGKC-SECBINFHSA-N 2 2 264.333 0.181 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000522241378 390630023 /nfs/dbraw/zinc/63/00/23/390630023.db2.gz LXZWFEVGHNYSCI-UHFFFAOYSA-N 2 2 297.322 0.679 20 0 CCADLP Nc1nc(NCC(F)(F)C[NH3+])[nH+]c2ccccc12 ZINC000566728934 390641388 /nfs/dbraw/zinc/64/13/88/390641388.db2.gz SACZZEIZRQIXBF-UHFFFAOYSA-N 2 2 253.256 0.470 20 0 CCADLP CC(=O)NCC[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000566185323 390593546 /nfs/dbraw/zinc/59/35/46/390593546.db2.gz CFKAQXIPJXFZQP-UHFFFAOYSA-N 2 2 298.431 0.043 20 0 CCADLP CC(=O)NCC[N@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000566185323 390593548 /nfs/dbraw/zinc/59/35/48/390593548.db2.gz CFKAQXIPJXFZQP-UHFFFAOYSA-N 2 2 298.431 0.043 20 0 CCADLP [NH3+][C@@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1cscn1 ZINC000521231398 390600186 /nfs/dbraw/zinc/60/01/86/390600186.db2.gz JEBQRXUBVRWNRP-GXSJLCMTSA-N 2 2 266.370 0.450 20 0 CCADLP [NH3+][C@@H](C(=O)N1CC[N@H+]2CCC[C@H]2C1)c1cscn1 ZINC000521231398 390600191 /nfs/dbraw/zinc/60/01/91/390600191.db2.gz JEBQRXUBVRWNRP-GXSJLCMTSA-N 2 2 266.370 0.450 20 0 CCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]([NH3+])c2cscn2)C1 ZINC000646124715 390611062 /nfs/dbraw/zinc/61/10/62/390611062.db2.gz UUDCWAZRYULRMA-CMPLNLGQSA-N 2 2 282.413 0.943 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]([NH3+])c2cscn2)C1 ZINC000646124715 390611066 /nfs/dbraw/zinc/61/10/66/390611066.db2.gz UUDCWAZRYULRMA-CMPLNLGQSA-N 2 2 282.413 0.943 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000566452897 390611211 /nfs/dbraw/zinc/61/12/11/390611211.db2.gz LWFPTUBQWQVNCV-KBPBESRZSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC000566452897 390611214 /nfs/dbraw/zinc/61/12/14/390611214.db2.gz LWFPTUBQWQVNCV-KBPBESRZSA-N 2 2 283.416 0.507 20 0 CCADLP Cc1cccn2cc(CCNC(=O)[C@H](C)C[NH3+])[nH+]c12 ZINC000646138160 390616562 /nfs/dbraw/zinc/61/65/62/390616562.db2.gz DJBFOLOADYOCTB-LLVKDONJSA-N 2 2 260.341 0.896 20 0 CCADLP Cn1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])n1 ZINC000567613198 390706852 /nfs/dbraw/zinc/70/68/52/390706852.db2.gz RRUSUZWMAKLOAO-CYBMUJFWSA-N 2 2 279.388 0.240 20 0 CCADLP Cn1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])n1 ZINC000567613198 390706854 /nfs/dbraw/zinc/70/68/54/390706854.db2.gz RRUSUZWMAKLOAO-CYBMUJFWSA-N 2 2 279.388 0.240 20 0 CCADLP CN(C)c1nc(N2CC[NH+](Cc3cnccn3)CC2)cc[nH+]1 ZINC000570175152 390717858 /nfs/dbraw/zinc/71/78/58/390717858.db2.gz MPSPAVGQDXDONH-UHFFFAOYSA-N 2 2 299.382 0.655 20 0 CCADLP CC1(C)C[NH+](CC(=O)NCC[N@H+]2CC=CCC2)C1 ZINC000570822190 390720047 /nfs/dbraw/zinc/72/00/47/390720047.db2.gz BTQSYOQHHFNFMP-UHFFFAOYSA-N 2 2 251.374 0.706 20 0 CCADLP CC1(C)C[NH+](CC(=O)NCC[N@@H+]2CC=CCC2)C1 ZINC000570822190 390720049 /nfs/dbraw/zinc/72/00/49/390720049.db2.gz BTQSYOQHHFNFMP-UHFFFAOYSA-N 2 2 251.374 0.706 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646340466 390668250 /nfs/dbraw/zinc/66/82/50/390668250.db2.gz GBXNJXCIPZMEKJ-RBSFLKMASA-N 2 2 295.427 0.698 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646340466 390668251 /nfs/dbraw/zinc/66/82/51/390668251.db2.gz GBXNJXCIPZMEKJ-RBSFLKMASA-N 2 2 295.427 0.698 20 0 CCADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N1CC[NH+]2CCC1CC2 ZINC000526067193 390675865 /nfs/dbraw/zinc/67/58/65/390675865.db2.gz JRRLRSROJPHYNW-UHFFFAOYSA-N 2 2 298.350 0.583 20 0 CCADLP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@H]1CC[NH2+]1 ZINC000646441014 390682650 /nfs/dbraw/zinc/68/26/50/390682650.db2.gz UFLACSRWIALPAE-JHJVBQTASA-N 2 2 267.373 0.108 20 0 CCADLP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)CCc1c[nH+]cn1C ZINC000646472081 390687240 /nfs/dbraw/zinc/68/72/40/390687240.db2.gz ARSLTUJHMWCXKA-YPMHNXCESA-N 2 2 264.373 0.904 20 0 CCADLP COC[C@@H](C)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000527116788 390693167 /nfs/dbraw/zinc/69/31/67/390693167.db2.gz DQWQFQLMDBQAJO-LBPRGKRZSA-N 2 2 252.362 0.810 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCSC[C@@H](C(=O)OC)C1 ZINC000567364074 390695196 /nfs/dbraw/zinc/69/51/96/390695196.db2.gz ACUYRERKNWUBHE-RYUDHWBXSA-N 2 2 290.429 0.137 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCSC[C@@H](C(=O)OC)C1 ZINC000567364074 390695197 /nfs/dbraw/zinc/69/51/97/390695197.db2.gz ACUYRERKNWUBHE-RYUDHWBXSA-N 2 2 290.429 0.137 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCSC[C@@H](C(=O)OC)C1 ZINC000567364074 390695199 /nfs/dbraw/zinc/69/51/99/390695199.db2.gz ACUYRERKNWUBHE-RYUDHWBXSA-N 2 2 290.429 0.137 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCSC[C@@H](C(=O)OC)C1 ZINC000567364074 390695200 /nfs/dbraw/zinc/69/52/00/390695200.db2.gz ACUYRERKNWUBHE-RYUDHWBXSA-N 2 2 290.429 0.137 20 0 CCADLP C[C@@H]1CC[N@H+](CCNC(=O)CCc2c[nH+]cn2C)C1 ZINC000527248772 390698234 /nfs/dbraw/zinc/69/82/34/390698234.db2.gz FVEAONOFRGSTSP-GFCCVEGCSA-N 2 2 264.373 0.811 20 0 CCADLP C[C@@H]1CC[N@@H+](CCNC(=O)CCc2c[nH+]cn2C)C1 ZINC000527248772 390698236 /nfs/dbraw/zinc/69/82/36/390698236.db2.gz FVEAONOFRGSTSP-GFCCVEGCSA-N 2 2 264.373 0.811 20 0 CCADLP Cc1ccc(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)c(=O)n1C ZINC000571756000 390751051 /nfs/dbraw/zinc/75/10/51/390751051.db2.gz SMSHQEYJPBZGSW-AWEZNQCLSA-N 2 2 279.384 0.238 20 0 CCADLP Cc1ccc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c(=O)n1C ZINC000571756000 390751055 /nfs/dbraw/zinc/75/10/55/390751055.db2.gz SMSHQEYJPBZGSW-AWEZNQCLSA-N 2 2 279.384 0.238 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647058387 390767250 /nfs/dbraw/zinc/76/72/50/390767250.db2.gz FEEOCUNCMNFOQH-RWMBFGLXSA-N 2 2 287.379 0.304 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647058387 390767252 /nfs/dbraw/zinc/76/72/52/390767252.db2.gz FEEOCUNCMNFOQH-RWMBFGLXSA-N 2 2 287.379 0.304 20 0 CCADLP Cc1nc2[nH]ccc2c(N2CCCO[C@@H](C[NH3+])C2)[nH+]1 ZINC000572105462 390767961 /nfs/dbraw/zinc/76/79/61/390767961.db2.gz HPNUSMXEMGCISY-JTQLQIEISA-N 2 2 261.329 0.820 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)[C@H](C[NH3+])C1 ZINC000572227723 390773006 /nfs/dbraw/zinc/77/30/06/390773006.db2.gz UPGKNTLJKOMACB-CHWSQXEVSA-N 3 2 297.447 0.049 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)[C@H](C[NH3+])C1 ZINC000572227723 390773008 /nfs/dbraw/zinc/77/30/08/390773008.db2.gz UPGKNTLJKOMACB-CHWSQXEVSA-N 3 2 297.447 0.049 20 0 CCADLP COc1c(N)[nH+]cnc1NC[C@H](c1ccco1)[NH+](C)C ZINC000572303299 390777507 /nfs/dbraw/zinc/77/75/07/390777507.db2.gz CQSPFYPCKUXREJ-SECBINFHSA-N 2 2 277.328 0.797 20 0 CCADLP CO[C@H]1C[C@@H](c2nc([C@@H]3CCC[NH2+]3)no2)[N@H+](C)C1 ZINC000647144771 390780180 /nfs/dbraw/zinc/78/01/80/390780180.db2.gz FTZGMQPRQUPLPY-GUBZILKMSA-N 2 2 252.318 0.886 20 0 CCADLP CO[C@H]1C[C@@H](c2nc([C@@H]3CCC[NH2+]3)no2)[N@@H+](C)C1 ZINC000647144771 390780181 /nfs/dbraw/zinc/78/01/81/390780181.db2.gz FTZGMQPRQUPLPY-GUBZILKMSA-N 2 2 252.318 0.886 20 0 CCADLP Cc1nc(CCNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cs1 ZINC000572585486 390790714 /nfs/dbraw/zinc/79/07/14/390790714.db2.gz RCGMPNGGHNPWKC-GFCCVEGCSA-N 2 2 297.428 0.278 20 0 CCADLP Cc1nc(CCNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cs1 ZINC000572585486 390790715 /nfs/dbraw/zinc/79/07/15/390790715.db2.gz RCGMPNGGHNPWKC-GFCCVEGCSA-N 2 2 297.428 0.278 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000572605643 390792127 /nfs/dbraw/zinc/79/21/27/390792127.db2.gz SBVGBDHMRZOOEI-ZFWWWQNUSA-N 2 2 297.443 0.896 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000572605643 390792129 /nfs/dbraw/zinc/79/21/29/390792129.db2.gz SBVGBDHMRZOOEI-ZFWWWQNUSA-N 2 2 297.443 0.896 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000529118667 390793650 /nfs/dbraw/zinc/79/36/50/390793650.db2.gz HKBQTKYIFFNKLO-UHFFFAOYSA-N 2 2 280.372 0.107 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000529118667 390793652 /nfs/dbraw/zinc/79/36/52/390793652.db2.gz HKBQTKYIFFNKLO-UHFFFAOYSA-N 2 2 280.372 0.107 20 0 CCADLP OCC[N@@H+]1CCCC[C@@H]1CNc1[nH+]cnc2[nH]ccc21 ZINC000572692284 390797334 /nfs/dbraw/zinc/79/73/34/390797334.db2.gz DUSGBUGDWZDLLL-LLVKDONJSA-N 2 2 275.356 0.639 20 0 CCADLP OCC[N@H+]1CCCC[C@@H]1CNc1[nH+]cnc2[nH]ccc21 ZINC000572692284 390797336 /nfs/dbraw/zinc/79/73/36/390797336.db2.gz DUSGBUGDWZDLLL-LLVKDONJSA-N 2 2 275.356 0.639 20 0 CCADLP C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC000646924076 390741983 /nfs/dbraw/zinc/74/19/83/390741983.db2.gz AFRPXUHDKSXNAF-YNEHKIRRSA-N 2 2 274.368 0.608 20 0 CCADLP C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC000646924076 390741984 /nfs/dbraw/zinc/74/19/84/390741984.db2.gz AFRPXUHDKSXNAF-YNEHKIRRSA-N 2 2 274.368 0.608 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCOC2(CCOCC2)C1 ZINC000571578197 390742847 /nfs/dbraw/zinc/74/28/47/390742847.db2.gz GLHHLRGIFXKQDI-CYBMUJFWSA-N 2 2 272.389 0.180 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCOC2(CCOCC2)C1 ZINC000571578197 390742849 /nfs/dbraw/zinc/74/28/49/390742849.db2.gz GLHHLRGIFXKQDI-CYBMUJFWSA-N 2 2 272.389 0.180 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000571578197 390742851 /nfs/dbraw/zinc/74/28/51/390742851.db2.gz GLHHLRGIFXKQDI-CYBMUJFWSA-N 2 2 272.389 0.180 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCOC2(CCOCC2)C1 ZINC000571578197 390742854 /nfs/dbraw/zinc/74/28/54/390742854.db2.gz GLHHLRGIFXKQDI-CYBMUJFWSA-N 2 2 272.389 0.180 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000528433002 390743862 /nfs/dbraw/zinc/74/38/62/390743862.db2.gz JYNLATAOXBCHLC-QWHCGFSZSA-N 2 2 280.372 0.417 20 0 CCADLP Cc1nc(NC[C@H]2CC[N@@H+](C(C)C)C2)nc(N(C)C)[nH+]1 ZINC000532626456 390882018 /nfs/dbraw/zinc/88/20/18/390882018.db2.gz ZLJOXHPTBXJGLB-GFCCVEGCSA-N 2 2 278.404 0.810 20 0 CCADLP Cc1nc(NC[C@H]2CC[N@H+](C(C)C)C2)nc(N(C)C)[nH+]1 ZINC000532626456 390882021 /nfs/dbraw/zinc/88/20/21/390882021.db2.gz ZLJOXHPTBXJGLB-GFCCVEGCSA-N 2 2 278.404 0.810 20 0 CCADLP Cc1nc(N(C)C)nc(NC[C@H]2CC[N@@H+](C(C)C)C2)[nH+]1 ZINC000532626456 390882024 /nfs/dbraw/zinc/88/20/24/390882024.db2.gz ZLJOXHPTBXJGLB-GFCCVEGCSA-N 2 2 278.404 0.810 20 0 CCADLP Cc1nc(N(C)C)nc(NC[C@H]2CC[N@H+](C(C)C)C2)[nH+]1 ZINC000532626456 390882025 /nfs/dbraw/zinc/88/20/25/390882025.db2.gz ZLJOXHPTBXJGLB-GFCCVEGCSA-N 2 2 278.404 0.810 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC[C@H]2CCCOC2)[C@@H](C[NH3+])C1 ZINC000529350589 390816223 /nfs/dbraw/zinc/81/62/23/390816223.db2.gz UJMPUJMJOWFNQG-OLZOCXBDSA-N 2 2 284.404 0.087 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC[C@H]2CCCOC2)[C@@H](C[NH3+])C1 ZINC000529350589 390816225 /nfs/dbraw/zinc/81/62/25/390816225.db2.gz UJMPUJMJOWFNQG-OLZOCXBDSA-N 2 2 284.404 0.087 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000572982926 390816599 /nfs/dbraw/zinc/81/65/99/390816599.db2.gz BRGRRCFSGSKGTH-NWDGAFQWSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000572982926 390816601 /nfs/dbraw/zinc/81/66/01/390816601.db2.gz BRGRRCFSGSKGTH-NWDGAFQWSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000572982926 390816603 /nfs/dbraw/zinc/81/66/03/390816603.db2.gz BRGRRCFSGSKGTH-NWDGAFQWSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000572982926 390816605 /nfs/dbraw/zinc/81/66/05/390816605.db2.gz BRGRRCFSGSKGTH-NWDGAFQWSA-N 2 2 280.372 0.113 20 0 CCADLP Cc1nc(N2CC[C@H]3C[NH2+]C[C@H]3C2)nc(N(C)C)[nH+]1 ZINC000574907419 390823667 /nfs/dbraw/zinc/82/36/67/390823667.db2.gz DCAVZLWUHPRXJD-QWRGUYRKSA-N 2 2 262.361 0.292 20 0 CCADLP Cc1nc(N(C)C)nc(N2CC[C@H]3C[NH2+]C[C@H]3C2)[nH+]1 ZINC000574907419 390823670 /nfs/dbraw/zinc/82/36/70/390823670.db2.gz DCAVZLWUHPRXJD-QWRGUYRKSA-N 2 2 262.361 0.292 20 0 CCADLP C[C@@H]([NH3+])[C@H]1C[N@H+](Cc2ccc(-n3cncn3)cc2)CCO1 ZINC000647508723 390826517 /nfs/dbraw/zinc/82/65/17/390826517.db2.gz ZSHXZTAJJUPGOE-IUODEOHRSA-N 2 2 287.367 0.815 20 0 CCADLP C[C@@H]([NH3+])[C@H]1C[N@@H+](Cc2ccc(-n3cncn3)cc2)CCO1 ZINC000647508723 390826521 /nfs/dbraw/zinc/82/65/21/390826521.db2.gz ZSHXZTAJJUPGOE-IUODEOHRSA-N 2 2 287.367 0.815 20 0 CCADLP c1nc(N2CCCC2)ncc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000647535551 390834891 /nfs/dbraw/zinc/83/48/91/390834891.db2.gz HXMOWXLRBACJIJ-OKILXGFUSA-N 2 2 273.384 0.728 20 0 CCADLP c1nc(N2CCCC2)ncc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000647535551 390834894 /nfs/dbraw/zinc/83/48/94/390834894.db2.gz HXMOWXLRBACJIJ-OKILXGFUSA-N 2 2 273.384 0.728 20 0 CCADLP C[C@H]([C@H](C)[NH2+][C@H]1C[NH2+]C[C@@H](C)C1)N1CCOCC1 ZINC000647549598 390839966 /nfs/dbraw/zinc/83/99/66/390839966.db2.gz JBZCTYUZFGUFRH-IGQOVBAYSA-N 2 2 255.406 0.683 20 0 CCADLP C[C@H]([C@H](C)N[C@H]1C[NH2+]C[C@@H](C)C1)[NH+]1CCOCC1 ZINC000647549598 390839967 /nfs/dbraw/zinc/83/99/67/390839967.db2.gz JBZCTYUZFGUFRH-IGQOVBAYSA-N 2 2 255.406 0.683 20 0 CCADLP CC(C)([NH3+])c1nocc1C(=O)Nc1ccc(N)[nH+]c1 ZINC000577865823 390850033 /nfs/dbraw/zinc/85/00/33/390850033.db2.gz PIVZYJFGKSNKIL-UHFFFAOYSA-N 2 2 261.285 0.928 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000647632765 390854018 /nfs/dbraw/zinc/85/40/18/390854018.db2.gz QVTVERCZOAPZTL-QWHCGFSZSA-N 2 2 280.347 0.918 20 0 CCADLP O[C@@H](CNC1CC([NH+]2CCCCC2)C1)C[NH+]1CCOCC1 ZINC000578436429 390883683 /nfs/dbraw/zinc/88/36/83/390883683.db2.gz SLCJHYCKKRYAIC-GPANFISMSA-N 2 2 297.443 0.286 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCc2cnn(C)c2)C[C@@H](C)O1 ZINC000578618679 390894682 /nfs/dbraw/zinc/89/46/82/390894682.db2.gz MARMUZLVJRYLPW-UMVBOHGHSA-N 2 2 296.415 0.022 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1nnnn1-c1ccccc1 ZINC000578789298 390902959 /nfs/dbraw/zinc/90/29/59/390902959.db2.gz KRJNQJHRNDDNTI-JSGCOSHPSA-N 2 2 286.383 0.745 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1nnnn1-c1ccccc1 ZINC000578789298 390902961 /nfs/dbraw/zinc/90/29/61/390902961.db2.gz KRJNQJHRNDDNTI-JSGCOSHPSA-N 2 2 286.383 0.745 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492903254 533342229 /nfs/dbraw/zinc/34/22/29/533342229.db2.gz SWAJVXRMSJVFGV-DSYXLKISSA-N 2 2 278.356 0.650 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492903254 533342237 /nfs/dbraw/zinc/34/22/37/533342237.db2.gz SWAJVXRMSJVFGV-DSYXLKISSA-N 2 2 278.356 0.650 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])C(C)C)C[C@H]1C ZINC000423893587 533420769 /nfs/dbraw/zinc/42/07/69/533420769.db2.gz LIMHGUKAFCZGGG-YPMHNXCESA-N 2 2 285.388 0.066 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]([NH3+])C(C)C)C[C@H]1C ZINC000423893587 533420776 /nfs/dbraw/zinc/42/07/76/533420776.db2.gz LIMHGUKAFCZGGG-YPMHNXCESA-N 2 2 285.388 0.066 20 0 CCADLP C[C@H](CC(=O)N(C)CC[NH+]1CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000423748962 533621360 /nfs/dbraw/zinc/62/13/60/533621360.db2.gz VDYGKHSOSUDOQI-HUUCEWRRSA-N 2 2 297.443 0.803 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529293139 285439588 /nfs/dbraw/zinc/43/95/88/285439588.db2.gz OKEAGHCWCUQKFT-OLZOCXBDSA-N 2 2 296.415 0.291 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC(=O)N(C)C2)C[N@@H+]1C1CC1 ZINC000657695740 413049700 /nfs/dbraw/zinc/04/97/00/413049700.db2.gz CXYBRCAUAYTQHD-WOPDTQHZSA-N 2 2 251.374 0.680 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC(=O)N(C)C2)C[N@H+]1C1CC1 ZINC000657695740 413049705 /nfs/dbraw/zinc/04/97/05/413049705.db2.gz CXYBRCAUAYTQHD-WOPDTQHZSA-N 2 2 251.374 0.680 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC000341836056 130081264 /nfs/dbraw/zinc/08/12/64/130081264.db2.gz CRHDLRPVFCKWCA-ZIAGYGMSSA-N 2 2 283.416 0.648 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC000341836056 130081266 /nfs/dbraw/zinc/08/12/66/130081266.db2.gz CRHDLRPVFCKWCA-ZIAGYGMSSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H](C)C1 ZINC000341836056 130081269 /nfs/dbraw/zinc/08/12/69/130081269.db2.gz CRHDLRPVFCKWCA-ZIAGYGMSSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H](C)C1 ZINC000341836056 130081271 /nfs/dbraw/zinc/08/12/71/130081271.db2.gz CRHDLRPVFCKWCA-ZIAGYGMSSA-N 2 2 283.416 0.648 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@](C)(O)C2CC2)CC1 ZINC000342045623 130219136 /nfs/dbraw/zinc/21/91/36/130219136.db2.gz ONQVOXBXTZFACJ-OAHLLOKOSA-N 2 2 283.416 0.290 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@](C)(O)C2CC2)CC1 ZINC000342045622 130219784 /nfs/dbraw/zinc/21/97/84/130219784.db2.gz ONQVOXBXTZFACJ-HNNXBMFYSA-N 2 2 283.416 0.290 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)C[NH3+] ZINC000237666208 131051425 /nfs/dbraw/zinc/05/14/25/131051425.db2.gz QCWVVZKTHRMBIU-CQSZACIVSA-N 2 2 291.395 0.695 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)[C@@H]3COCC[NH2+]3)cn21 ZINC000237767717 131055995 /nfs/dbraw/zinc/05/59/95/131055995.db2.gz VFHLTROITMTWLJ-LBPRGKRZSA-N 2 2 274.324 0.247 20 0 CCADLP O=C(NCCCCNc1cccc[nH+]1)[C@@H]1CC[NH2+]C1 ZINC000238019486 131073070 /nfs/dbraw/zinc/07/30/70/131073070.db2.gz HVCDAMPKSAOWGO-GFCCVEGCSA-N 2 2 262.357 0.999 20 0 CCADLP CO[C@@H]1CC[N@H+](CCC(=O)Nc2cc(C)on2)[C@H](C[NH3+])C1 ZINC000252767405 131137985 /nfs/dbraw/zinc/13/79/85/131137985.db2.gz IEUKJRHGUNSALR-NWDGAFQWSA-N 2 2 296.371 0.750 20 0 CCADLP CO[C@@H]1CC[N@@H+](CCC(=O)Nc2cc(C)on2)[C@H](C[NH3+])C1 ZINC000252767405 131137986 /nfs/dbraw/zinc/13/79/86/131137986.db2.gz IEUKJRHGUNSALR-NWDGAFQWSA-N 2 2 296.371 0.750 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)on1 ZINC000252872694 131140103 /nfs/dbraw/zinc/14/01/03/131140103.db2.gz UGILZSZKFKSAIT-SDDRHHMPSA-N 2 2 278.356 0.981 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)on1 ZINC000252872694 131140105 /nfs/dbraw/zinc/14/01/05/131140105.db2.gz UGILZSZKFKSAIT-SDDRHHMPSA-N 2 2 278.356 0.981 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@@H]([NH3+])C2CCOCC2)c[nH+]1 ZINC000261644989 131158728 /nfs/dbraw/zinc/15/87/28/131158728.db2.gz DSNAVWIXALGVTE-AWEZNQCLSA-N 2 2 292.383 0.518 20 0 CCADLP [NH3+]C[C@H]1CC[C@@H](C(=O)NCc2cn3c([nH+]2)CCCC3)O1 ZINC000261711391 131163398 /nfs/dbraw/zinc/16/33/98/131163398.db2.gz BXLWIIVKMJCODM-NEPJUHHUSA-N 2 2 278.356 0.342 20 0 CCADLP C[C@@H](C[NH3+])C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000262341253 131213335 /nfs/dbraw/zinc/21/33/35/131213335.db2.gz HXQMTVHSKKNFHB-NWDGAFQWSA-N 2 2 292.383 0.518 20 0 CCADLP O=C(NCCCCNc1cccc[nH+]1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262569965 131234570 /nfs/dbraw/zinc/23/45/70/131234570.db2.gz YUELVVWFIIYNQP-VXGBXAGGSA-N 2 2 278.356 0.113 20 0 CCADLP C[C@@H](C[NH3+])C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000262580242 131235925 /nfs/dbraw/zinc/23/59/25/131235925.db2.gz UIVVBOBYSOUKHF-DZGCQCFKSA-N 2 2 291.395 0.771 20 0 CCADLP Cc1cccc(N2CC[NH+](CCC(=O)N(C)C)CC2)[nH+]1 ZINC000268868288 132080105 /nfs/dbraw/zinc/08/01/05/132080105.db2.gz GXAPGAINRALSKN-UHFFFAOYSA-N 2 2 276.384 0.990 20 0 CCADLP O=C(NCc1cn2c([nH+]1)CCCC2)[C@@H]1CCCC[NH2+]1 ZINC000269231819 132138172 /nfs/dbraw/zinc/13/81/72/132138172.db2.gz DGLANNUTICUPNZ-LBPRGKRZSA-N 2 2 262.357 0.978 20 0 CCADLP CN(C)c1cc(NC(=O)[C@@H]2C[NH2+]CCO2)cc[nH+]1 ZINC000269239036 132139754 /nfs/dbraw/zinc/13/97/54/132139754.db2.gz AFBMIGOMOKUAEV-JTQLQIEISA-N 2 2 250.302 0.075 20 0 CCADLP COc1ncncc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657751456 413057255 /nfs/dbraw/zinc/05/72/55/413057255.db2.gz JREMAMBYZBWAKN-CQSZACIVSA-N 2 2 292.383 0.828 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCC23CC3)CC1 ZINC000657857828 413068646 /nfs/dbraw/zinc/06/86/46/413068646.db2.gz WVCRHROYQAAZCK-GFCCVEGCSA-N 2 2 251.374 0.683 20 0 CCADLP Nc1ccc(NC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)c[nH+]1 ZINC000575123805 335069604 /nfs/dbraw/zinc/06/96/04/335069604.db2.gz ZEOUJGQNMBTBBN-PBINXNQUSA-N 2 2 274.324 0.247 20 0 CCADLP C[C@@H](Cn1cncn1)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000658026847 413089240 /nfs/dbraw/zinc/08/92/40/413089240.db2.gz XQKWNWPOYYVGFH-STQMWFEESA-N 2 2 267.377 0.103 20 0 CCADLP C[C@@H](Cn1cncn1)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000658026847 413089247 /nfs/dbraw/zinc/08/92/47/413089247.db2.gz XQKWNWPOYYVGFH-STQMWFEESA-N 2 2 267.377 0.103 20 0 CCADLP C[C@H](Cn1cncn1)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000658026839 413089319 /nfs/dbraw/zinc/08/93/19/413089319.db2.gz XQKWNWPOYYVGFH-CHWSQXEVSA-N 2 2 267.377 0.103 20 0 CCADLP C[C@H](Cn1cncn1)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000658026839 413089323 /nfs/dbraw/zinc/08/93/23/413089323.db2.gz XQKWNWPOYYVGFH-CHWSQXEVSA-N 2 2 267.377 0.103 20 0 CCADLP COCc1n[nH]c(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)n1 ZINC000658157689 413106931 /nfs/dbraw/zinc/10/69/31/413106931.db2.gz UPCCQKMLPHACDG-QJPTWQEYSA-N 2 2 279.388 0.914 20 0 CCADLP COCc1n[nH]c(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)n1 ZINC000658157689 413106935 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C[C@@H](C[NH+](C)C)NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000358530718 144159754 /nfs/dbraw/zinc/15/97/54/144159754.db2.gz SBNNVGMMDGSSMB-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)CN2CCn3cc[nH+]c3C2)C[C@H](C)O1 ZINC000358540638 144160618 /nfs/dbraw/zinc/16/06/18/144160618.db2.gz HQLJVMPINOXEEB-MJBXVCDLSA-N 2 2 294.399 0.169 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)CN2CCn3cc[nH+]c3C2)C[C@H](C)O1 ZINC000358540638 144160620 /nfs/dbraw/zinc/16/06/20/144160620.db2.gz HQLJVMPINOXEEB-MJBXVCDLSA-N 2 2 294.399 0.169 20 0 CCADLP C[N@H+](C[C@H](O)C(F)(F)F)C1CC[NH+](CCO)CC1 ZINC000358968895 144188551 /nfs/dbraw/zinc/18/85/51/144188551.db2.gz HRBBXVXOCUYXQA-JTQLQIEISA-N 2 2 270.295 0.298 20 0 CCADLP C[N@@H+](C[C@H](O)C(F)(F)F)C1CC[NH+](CCO)CC1 ZINC000358968895 144188552 /nfs/dbraw/zinc/18/85/52/144188552.db2.gz HRBBXVXOCUYXQA-JTQLQIEISA-N 2 2 270.295 0.298 20 0 CCADLP NS(=O)(=O)C1CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000369045396 144253445 /nfs/dbraw/zinc/25/34/45/144253445.db2.gz 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Cc1c[nH+]ccc1NC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000371317184 144327061 /nfs/dbraw/zinc/32/70/61/144327061.db2.gz OSYCPQWCHQAVBI-QWHCGFSZSA-N 2 2 290.367 0.797 20 0 CCADLP COC(=O)[C@H]1C[C@H](OC)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000371535397 144336225 /nfs/dbraw/zinc/33/62/25/144336225.db2.gz RAWIAIKTXILWTG-CHWSQXEVSA-N 2 2 281.356 0.926 20 0 CCADLP COC(=O)[C@H]1C[C@H](OC)CC[N@H+]1CCCn1cc[nH+]c1 ZINC000371535397 144336227 /nfs/dbraw/zinc/33/62/27/144336227.db2.gz RAWIAIKTXILWTG-CHWSQXEVSA-N 2 2 281.356 0.926 20 0 CCADLP O[C@@H](CN1CCOCC1)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000372169903 144355958 /nfs/dbraw/zinc/35/59/58/144355958.db2.gz QAPSZKWBSZXDPJ-CQSZACIVSA-N 2 2 294.399 0.282 20 0 CCADLP CCn1nc2c(cc1=O)C[N@@H+](CCCn1cc[nH+]c1)CC2 ZINC000373214194 144396900 /nfs/dbraw/zinc/39/69/00/144396900.db2.gz CXUAQDSWOIWNCP-UHFFFAOYSA-N 2 2 287.367 0.908 20 0 CCADLP CCn1nc2c(cc1=O)C[N@H+](CCCn1cc[nH+]c1)CC2 ZINC000373214194 144396901 /nfs/dbraw/zinc/39/69/01/144396901.db2.gz CXUAQDSWOIWNCP-UHFFFAOYSA-N 2 2 287.367 0.908 20 0 CCADLP Cc1nc(NCCC[N@H+]2CCCC[C@H]2C)nc(N)[nH+]1 ZINC000388874062 397508143 /nfs/dbraw/zinc/50/81/43/397508143.db2.gz IAIQDTMJGLABIQ-SNVBAGLBSA-N 2 2 264.377 0.691 20 0 CCADLP Cc1nc(NCCC[N@@H+]2CCCC[C@H]2C)nc(N)[nH+]1 ZINC000388874062 397508149 /nfs/dbraw/zinc/50/81/49/397508149.db2.gz IAIQDTMJGLABIQ-SNVBAGLBSA-N 2 2 264.377 0.691 20 0 CCADLP Cc1nc(N)nc(NCCC[N@H+]2CCCC[C@H]2C)[nH+]1 ZINC000388874062 397508153 /nfs/dbraw/zinc/50/81/53/397508153.db2.gz IAIQDTMJGLABIQ-SNVBAGLBSA-N 2 2 264.377 0.691 20 0 CCADLP Cc1nc(N)nc(NCCC[N@@H+]2CCCC[C@H]2C)[nH+]1 ZINC000388874062 397508157 /nfs/dbraw/zinc/50/81/57/397508157.db2.gz IAIQDTMJGLABIQ-SNVBAGLBSA-N 2 2 264.377 0.691 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccnc1 ZINC000388957257 397509086 /nfs/dbraw/zinc/50/90/86/397509086.db2.gz MPVVFANAAZDWJD-JSGCOSHPSA-N 2 2 267.373 0.671 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccnc1 ZINC000388957257 397509089 /nfs/dbraw/zinc/50/90/89/397509089.db2.gz MPVVFANAAZDWJD-JSGCOSHPSA-N 2 2 267.373 0.671 20 0 CCADLP COC(=O)[C@H]1CC[N@H+](CCc2c[nH+]cn2C)[C@H]1C ZINC000459437161 397556088 /nfs/dbraw/zinc/55/60/88/397556088.db2.gz QYZVSKHLDAJEPX-JQWIXIFHSA-N 2 2 251.330 0.846 20 0 CCADLP COC(=O)[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)[C@H]1C ZINC000459437161 397556092 /nfs/dbraw/zinc/55/60/92/397556092.db2.gz QYZVSKHLDAJEPX-JQWIXIFHSA-N 2 2 251.330 0.846 20 0 CCADLP O=C(C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)NC(=O)NC1CC1 ZINC000580301920 397582171 /nfs/dbraw/zinc/58/21/71/397582171.db2.gz BPPSOAYXTFEICH-AAEUAGOBSA-N 2 2 294.399 0.439 20 0 CCADLP O=C(C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)NC(=O)NC1CC1 ZINC000580301920 397582173 /nfs/dbraw/zinc/58/21/73/397582173.db2.gz BPPSOAYXTFEICH-AAEUAGOBSA-N 2 2 294.399 0.439 20 0 CCADLP CC[C@H](C(N)=O)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000649625573 397649843 /nfs/dbraw/zinc/64/98/43/397649843.db2.gz JTBJTWXEZADAHF-GFCCVEGCSA-N 2 2 269.389 0.077 20 0 CCADLP Cc1nc(C)c(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)s1 ZINC000649687084 397655696 /nfs/dbraw/zinc/65/56/96/397655696.db2.gz IEQLJPCXNRRUMI-UHFFFAOYSA-N 2 2 296.440 0.966 20 0 CCADLP Cc1nc(C)c(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)s1 ZINC000649687084 397655699 /nfs/dbraw/zinc/65/56/99/397655699.db2.gz IEQLJPCXNRRUMI-UHFFFAOYSA-N 2 2 296.440 0.966 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](CCc2ccccc2)CC1=O ZINC000649685788 397656012 /nfs/dbraw/zinc/65/60/12/397656012.db2.gz MIIYIOMIDKITPM-UHFFFAOYSA-N 2 2 275.396 0.935 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](CCc2ccccc2)CC1=O ZINC000649685788 397656014 /nfs/dbraw/zinc/65/60/14/397656014.db2.gz MIIYIOMIDKITPM-UHFFFAOYSA-N 2 2 275.396 0.935 20 0 CCADLP O=C(C[NH+]1CCN(C[C@@H]2CC[NH2+]C2)CC1)N1CCCCC1 ZINC000649411439 397606274 /nfs/dbraw/zinc/60/62/74/397606274.db2.gz YCUXJQJTHDRNCD-OAHLLOKOSA-N 2 2 294.443 0.226 20 0 CCADLP O=C(CN1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1)N1CCCCC1 ZINC000649411439 397606276 /nfs/dbraw/zinc/60/62/76/397606276.db2.gz YCUXJQJTHDRNCD-OAHLLOKOSA-N 2 2 294.443 0.226 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)NCc2cccnc2)CC[C@H]1[NH3+] ZINC000649416766 397609304 /nfs/dbraw/zinc/60/93/04/397609304.db2.gz LKSYYIFCPWAENZ-ZIAGYGMSSA-N 2 2 276.384 0.757 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)NCc2cccnc2)CC[C@H]1[NH3+] ZINC000649416766 397609305 /nfs/dbraw/zinc/60/93/05/397609305.db2.gz LKSYYIFCPWAENZ-ZIAGYGMSSA-N 2 2 276.384 0.757 20 0 CCADLP CCc1cc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)nc[nH+]1 ZINC000649460973 397613791 /nfs/dbraw/zinc/61/37/91/397613791.db2.gz ATXXNYZHGWKLBE-BETUJISGSA-N 2 2 262.357 0.736 20 0 CCADLP CCc1cc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)nc[nH+]1 ZINC000649460973 397613793 /nfs/dbraw/zinc/61/37/93/397613793.db2.gz ATXXNYZHGWKLBE-BETUJISGSA-N 2 2 262.357 0.736 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CN1CCC[C@H]1C[NH+]1CCOCC1 ZINC000649542806 397631411 /nfs/dbraw/zinc/63/14/11/397631411.db2.gz QCNWEEKBYWUDLZ-CABCVRRESA-N 2 2 267.417 0.877 20 0 CCADLP C[N@H+]1CCC[C@@H]1CN1CCC[C@H]1C[NH+]1CCOCC1 ZINC000649542806 397631413 /nfs/dbraw/zinc/63/14/13/397631413.db2.gz QCNWEEKBYWUDLZ-CABCVRRESA-N 2 2 267.417 0.877 20 0 CCADLP Cc1cncc(CC[NH+]2CCN(c3[nH+]ccn3C)CC2)n1 ZINC000649565225 397636732 /nfs/dbraw/zinc/63/67/32/397636732.db2.gz DVHPDLRJKFKONQ-UHFFFAOYSA-N 2 2 286.383 0.883 20 0 CCADLP COCC[N@@H+]1CCN(CCn2cc[nH+]c2)C(C)(C)C1 ZINC000649850399 397673968 /nfs/dbraw/zinc/67/39/68/397673968.db2.gz LSFZWUPYIOBMAG-UHFFFAOYSA-N 2 2 266.389 0.926 20 0 CCADLP COCC[N@H+]1CCN(CCn2cc[nH+]c2)C(C)(C)C1 ZINC000649850399 397673971 /nfs/dbraw/zinc/67/39/71/397673971.db2.gz LSFZWUPYIOBMAG-UHFFFAOYSA-N 2 2 266.389 0.926 20 0 CCADLP C[N@@H+]1CC[C@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651157223 397843312 /nfs/dbraw/zinc/84/33/12/397843312.db2.gz KFYDMOLIGNVSLM-GFCCVEGCSA-N 2 2 276.384 0.830 20 0 CCADLP C[N@H+]1CC[C@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651157223 397843317 /nfs/dbraw/zinc/84/33/17/397843317.db2.gz KFYDMOLIGNVSLM-GFCCVEGCSA-N 2 2 276.384 0.830 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000651270636 397863409 /nfs/dbraw/zinc/86/34/09/397863409.db2.gz DULCWPOENWMMAJ-CHWSQXEVSA-N 2 2 280.372 0.359 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)N(C)CC(F)(F)F ZINC000420368692 296586549 /nfs/dbraw/zinc/58/65/49/296586549.db2.gz NWZXRABCAHANEY-WCABBAIRSA-N 2 2 281.322 0.983 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000548085100 286003928 /nfs/dbraw/zinc/00/39/28/286003928.db2.gz BBEFKJNWZSLUAY-XQLPTFJDSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCOCC1 ZINC000548085100 286003929 /nfs/dbraw/zinc/00/39/29/286003929.db2.gz BBEFKJNWZSLUAY-XQLPTFJDSA-N 2 2 297.443 0.942 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000336688204 289213779 /nfs/dbraw/zinc/21/37/79/289213779.db2.gz AEMHBKSCSTXJJN-DGCLKSJQSA-N 2 2 251.374 0.633 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000336688204 289213784 /nfs/dbraw/zinc/21/37/84/289213784.db2.gz AEMHBKSCSTXJJN-DGCLKSJQSA-N 2 2 251.374 0.633 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000548191586 286015433 /nfs/dbraw/zinc/01/54/33/286015433.db2.gz QRXRRBSVQZONRK-UHFFFAOYSA-N 2 2 287.367 0.854 20 0 CCADLP C[C@@H](CNC(=O)C(C)(C)c1c[nH]c[nH+]1)C[NH+]1CCOCC1 ZINC000548420424 286034835 /nfs/dbraw/zinc/03/48/35/286034835.db2.gz HBGRNHCWITVYSB-LBPRGKRZSA-N 2 2 294.399 0.772 20 0 CCADLP C[C@H](NC(=O)Cc1c[nH+]cn1C)[C@H](C)[NH+]1CCOCC1 ZINC000548798301 286069160 /nfs/dbraw/zinc/06/91/60/286069160.db2.gz WXYRXECILDBWPQ-RYUDHWBXSA-N 2 2 280.372 0.188 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000368351683 286069081 /nfs/dbraw/zinc/06/90/81/286069081.db2.gz JPTURKXEGWAQSE-GOEBONIOSA-N 2 2 297.443 0.945 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000368351683 286069083 /nfs/dbraw/zinc/06/90/83/286069083.db2.gz JPTURKXEGWAQSE-GOEBONIOSA-N 2 2 297.443 0.945 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000368351683 286069086 /nfs/dbraw/zinc/06/90/86/286069086.db2.gz JPTURKXEGWAQSE-GOEBONIOSA-N 2 2 297.443 0.945 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000368351683 286069087 /nfs/dbraw/zinc/06/90/87/286069087.db2.gz JPTURKXEGWAQSE-GOEBONIOSA-N 2 2 297.443 0.945 20 0 CCADLP C[C@@H]1CC[N@@H+]([C@H]2COC[C@H]2O)C[C@@H]1n1cc[nH+]c1 ZINC000551098214 286115630 /nfs/dbraw/zinc/11/56/30/286115630.db2.gz WBEDAURYNZCZGS-MROQNXINSA-N 2 2 251.330 0.526 20 0 CCADLP C[C@@H]1CC[N@H+]([C@H]2COC[C@H]2O)C[C@@H]1n1cc[nH+]c1 ZINC000551098214 286115631 /nfs/dbraw/zinc/11/56/31/286115631.db2.gz WBEDAURYNZCZGS-MROQNXINSA-N 2 2 251.330 0.526 20 0 CCADLP COc1cc(OC)c(C[N@H+](C)C[C@@H](O)C[NH3+])c(OC)c1 ZINC000415053774 286239794 /nfs/dbraw/zinc/23/97/94/286239794.db2.gz KPYOSBOWPQSVAJ-JTQLQIEISA-N 2 2 284.356 0.464 20 0 CCADLP COc1cc(OC)c(C[N@@H+](C)C[C@@H](O)C[NH3+])c(OC)c1 ZINC000415053774 286239796 /nfs/dbraw/zinc/23/97/96/286239796.db2.gz KPYOSBOWPQSVAJ-JTQLQIEISA-N 2 2 284.356 0.464 20 0 CCADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CC[N@H+](C)C[C@@H]2C)C1(C)C ZINC000232228743 286305601 /nfs/dbraw/zinc/30/56/01/286305601.db2.gz JHUWYDNIOBNYMS-YWPYICTPSA-N 2 2 283.416 0.681 20 0 CCADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CC[N@@H+](C)C[C@@H]2C)C1(C)C ZINC000232228743 286305603 /nfs/dbraw/zinc/30/56/03/286305603.db2.gz JHUWYDNIOBNYMS-YWPYICTPSA-N 2 2 283.416 0.681 20 0 CCADLP O=C(NCC[NH2+]C1CC1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000659079525 413275616 /nfs/dbraw/zinc/27/56/16/413275616.db2.gz VHGXPNSNZBOYAS-UHFFFAOYSA-N 2 2 287.323 0.141 20 0 CCADLP C[C@H](CCNC(=O)C(=O)Nc1ccc(N)[nH+]c1)[NH+](C)C ZINC000659095084 413280145 /nfs/dbraw/zinc/28/01/45/413280145.db2.gz XSPXCYDFVVGOBX-SECBINFHSA-N 2 2 279.344 0.059 20 0 CCADLP CCO[C@H]1C[C@]([NH3+])(C(=O)N2CC[NH+](C3CC3)CC2)C1(C)C ZINC000156986728 286547824 /nfs/dbraw/zinc/54/78/24/286547824.db2.gz VMVMYHPPADRMIE-BBRMVZONSA-N 2 2 295.427 0.826 20 0 CCADLP COCCCNC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420376985 292358101 /nfs/dbraw/zinc/35/81/01/292358101.db2.gz VUWWSLGPNSZHCA-NTZNESFSSA-N 2 2 257.378 0.115 20 0 CCADLP CC[C@@H](C)[C@@H](NC(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)OC ZINC000424291414 286794146 /nfs/dbraw/zinc/79/41/46/286794146.db2.gz NUSHEHRAJQOVHF-HKUMRIAESA-N 2 2 299.415 0.550 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000659358738 413442608 /nfs/dbraw/zinc/44/26/08/413442608.db2.gz SXXPLMDILUOKRA-MCIONIFRSA-N 2 2 281.400 0.437 20 0 CCADLP [NH3+]CC1(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CCCC1 ZINC000659357458 413442969 /nfs/dbraw/zinc/44/29/69/413442969.db2.gz IBSZBQNZZRCUAH-ZDUSSCGKSA-N 2 2 281.400 0.439 20 0 CCADLP [NH3+][C@@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)CC[C@H]1F ZINC000659388396 413470193 /nfs/dbraw/zinc/47/01/93/413470193.db2.gz FPIAXIXBMHIANO-VXGBXAGGSA-N 2 2 276.315 0.775 20 0 CCADLP C[C@@H](O)[C@@H]1CCN(c2cc(N[C@@H](C)[C@H](C)[NH3+])nc[nH+]2)C1 ZINC000420258247 287111396 /nfs/dbraw/zinc/11/13/96/287111396.db2.gz FWKWANNLRDQHMP-NNYUYHANSA-N 2 2 279.388 0.831 20 0 CCADLP C[NH+](C)[C@]1(CNC(=O)C=Cc2c[nH]c[nH+]2)CCSC1 ZINC000284418870 196050960 /nfs/dbraw/zinc/05/09/60/196050960.db2.gz OKMPMSIITBMVQO-OOPCZODUSA-N 2 2 280.397 0.976 20 0 CCADLP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NC1CCOCC1 ZINC000062769216 411687797 /nfs/dbraw/zinc/68/77/97/411687797.db2.gz GWTVTNRFRVUMRL-ZFWWWQNUSA-N 2 2 295.427 0.746 20 0 CCADLP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NC1CCOCC1 ZINC000062769216 411687802 /nfs/dbraw/zinc/68/78/02/411687802.db2.gz GWTVTNRFRVUMRL-ZFWWWQNUSA-N 2 2 295.427 0.746 20 0 CCADLP COc1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)ccn1 ZINC000062070237 411688074 /nfs/dbraw/zinc/68/80/74/411688074.db2.gz PTMAOOAOUVDGLP-CYBMUJFWSA-N 2 2 265.357 0.637 20 0 CCADLP CC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@@H]1CCCOC1 ZINC000402707911 411783246 /nfs/dbraw/zinc/78/32/46/411783246.db2.gz RCOBJQKUTNGVAX-KGLIPLIRSA-N 2 2 256.390 0.942 20 0 CCADLP CC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@@H]1CCCOC1 ZINC000402707911 411783251 /nfs/dbraw/zinc/78/32/51/411783251.db2.gz RCOBJQKUTNGVAX-KGLIPLIRSA-N 2 2 256.390 0.942 20 0 CCADLP CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@@H]1CCCOC1 ZINC000402707911 411783254 /nfs/dbraw/zinc/78/32/54/411783254.db2.gz RCOBJQKUTNGVAX-KGLIPLIRSA-N 2 2 256.390 0.942 20 0 CCADLP CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCCOC1 ZINC000402707911 411783255 /nfs/dbraw/zinc/78/32/55/411783255.db2.gz RCOBJQKUTNGVAX-KGLIPLIRSA-N 2 2 256.390 0.942 20 0 CCADLP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N[C@@H](C)CC)C[C@H]1C[NH3+] ZINC000405539292 411804080 /nfs/dbraw/zinc/80/40/80/411804080.db2.gz QOZHERKVOJWZSN-WUHRBBMRSA-N 2 2 271.405 0.585 20 0 CCADLP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)N[C@@H](C)CC)C[C@H]1C[NH3+] ZINC000405539292 411804084 /nfs/dbraw/zinc/80/40/84/411804084.db2.gz QOZHERKVOJWZSN-WUHRBBMRSA-N 2 2 271.405 0.585 20 0 CCADLP CCO[C@@H]1C[N@H+](CC(=O)N2C[C@H](C)C[C@H](C)C2)C[C@H]1C[NH3+] ZINC000405567240 411804449 /nfs/dbraw/zinc/80/44/49/411804449.db2.gz GPSQPNUKKIOHMV-LXTVHRRPSA-N 2 2 297.443 0.787 20 0 CCADLP CCO[C@@H]1C[N@@H+](CC(=O)N2C[C@H](C)C[C@H](C)C2)C[C@H]1C[NH3+] ZINC000405567240 411804457 /nfs/dbraw/zinc/80/44/57/411804457.db2.gz GPSQPNUKKIOHMV-LXTVHRRPSA-N 2 2 297.443 0.787 20 0 CCADLP CCO[C@@H]1C[N@H+](CC(=O)NCC(C)C)C[C@H]1C[NH3+] ZINC000405746702 411804831 /nfs/dbraw/zinc/80/48/31/411804831.db2.gz AVUSAXABJKYQOJ-VXGBXAGGSA-N 2 2 257.378 0.054 20 0 CCADLP CCO[C@@H]1C[N@@H+](CC(=O)NCC(C)C)C[C@H]1C[NH3+] ZINC000405746702 411804835 /nfs/dbraw/zinc/80/48/35/411804835.db2.gz AVUSAXABJKYQOJ-VXGBXAGGSA-N 2 2 257.378 0.054 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCOCC2CC2)C[C@H](C)O1 ZINC000521994742 411825942 /nfs/dbraw/zinc/82/59/42/411825942.db2.gz GACQDQSSWXDXIR-VNHYZAJKSA-N 2 2 286.416 0.473 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCOCC2CC2)C[C@H](C)O1 ZINC000521994742 411825944 /nfs/dbraw/zinc/82/59/44/411825944.db2.gz GACQDQSSWXDXIR-VNHYZAJKSA-N 2 2 286.416 0.473 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(-c2nncnn2)cc1 ZINC000652033307 411979280 /nfs/dbraw/zinc/97/92/80/411979280.db2.gz ONJNAGBOEMKAHQ-RISCZKNCSA-N 2 2 284.367 0.973 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(-c2nncnn2)cc1 ZINC000652033307 411979284 /nfs/dbraw/zinc/97/92/84/411979284.db2.gz ONJNAGBOEMKAHQ-RISCZKNCSA-N 2 2 284.367 0.973 20 0 CCADLP CC(C)C[N@H+](C)CCCNC(=O)N1CC[NH+](C)C[C@H]1C[NH3+] ZINC000652225110 412011817 /nfs/dbraw/zinc/01/18/17/412011817.db2.gz QFWUCSJJAVAPET-CQSZACIVSA-N 3 2 299.463 0.249 20 0 CCADLP CC(C)C[N@@H+](C)CCCNC(=O)N1CC[NH+](C)C[C@H]1C[NH3+] ZINC000652225110 412011819 /nfs/dbraw/zinc/01/18/19/412011819.db2.gz QFWUCSJJAVAPET-CQSZACIVSA-N 3 2 299.463 0.249 20 0 CCADLP CC(C)C[NH+](C)CCCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000652225110 412011821 /nfs/dbraw/zinc/01/18/21/412011821.db2.gz QFWUCSJJAVAPET-CQSZACIVSA-N 3 2 299.463 0.249 20 0 CCADLP CC(C)C[NH+](C)CCCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000652225110 412011825 /nfs/dbraw/zinc/01/18/25/412011825.db2.gz QFWUCSJJAVAPET-CQSZACIVSA-N 3 2 299.463 0.249 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCC1(C[NH3+])CC1 ZINC000652236741 412014782 /nfs/dbraw/zinc/01/47/82/412014782.db2.gz YXIWGRITOCHGIS-CYBMUJFWSA-N 2 2 298.431 0.478 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)NCCCC[N@H+]1CCC[C@H]1CO ZINC000284524830 196076244 /nfs/dbraw/zinc/07/62/44/196076244.db2.gz WKIAEQQJOQHJRV-GJBLVYBDSA-N 2 2 292.383 0.776 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000284524830 196076246 /nfs/dbraw/zinc/07/62/46/196076246.db2.gz WKIAEQQJOQHJRV-GJBLVYBDSA-N 2 2 292.383 0.776 20 0 CCADLP C[C@@H]1CCC[N@H+](Cc2nnc3n2CCOC3)[C@@H]1CC[NH3+] ZINC000652356216 412037176 /nfs/dbraw/zinc/03/71/76/412037176.db2.gz WQWUMEPZAHHDBQ-VXGBXAGGSA-N 2 2 279.388 0.758 20 0 CCADLP C[C@@H]1CCC[N@@H+](Cc2nnc3n2CCOC3)[C@@H]1CC[NH3+] ZINC000652356216 412037179 /nfs/dbraw/zinc/03/71/79/412037179.db2.gz WQWUMEPZAHHDBQ-VXGBXAGGSA-N 2 2 279.388 0.758 20 0 CCADLP COCc1ccnc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000652615163 412075921 /nfs/dbraw/zinc/07/59/21/412075921.db2.gz XRZPRPAQWRDVGK-LBPRGKRZSA-N 2 2 293.371 0.335 20 0 CCADLP COCc1ccnc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000652615163 412075923 /nfs/dbraw/zinc/07/59/23/412075923.db2.gz XRZPRPAQWRDVGK-LBPRGKRZSA-N 2 2 293.371 0.335 20 0 CCADLP CC(C)COCCCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653061243 412206542 /nfs/dbraw/zinc/20/65/42/412206542.db2.gz HFKUTAKZUAJYBS-GFCCVEGCSA-N 2 2 259.394 0.444 20 0 CCADLP CN(Cc1cccc(O)c1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653068849 412206839 /nfs/dbraw/zinc/20/68/39/412206839.db2.gz TZZZTIQHEJAKKL-CYBMUJFWSA-N 2 2 265.357 0.630 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000653065596 412207421 /nfs/dbraw/zinc/20/74/21/412207421.db2.gz LNGLDTRHZWAROS-RDBSUJKOSA-N 2 2 261.369 0.938 20 0 CCADLP CCc1cnc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)s1 ZINC000653080446 412211621 /nfs/dbraw/zinc/21/16/21/412211621.db2.gz HXWFXHQFFPUSOB-VIFPVBQESA-N 2 2 256.375 0.923 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCOc2ccccc21 ZINC000653081964 412211735 /nfs/dbraw/zinc/21/17/35/412211735.db2.gz DYHVBQCMRCCDMP-GXTWGEPZSA-N 2 2 291.395 0.948 20 0 CCADLP C[C@@H](C(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+])[NH+]1CCN(C)CC1 ZINC000653242985 412265660 /nfs/dbraw/zinc/26/56/60/412265660.db2.gz WQIQVOIZTZGXPG-ILXRZTDVSA-N 2 2 296.459 0.598 20 0 CCADLP C[C@H](C(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+])[NH+]1CCN(C)CC1 ZINC000653242988 412266427 /nfs/dbraw/zinc/26/64/27/412266427.db2.gz WQIQVOIZTZGXPG-RBSFLKMASA-N 2 2 296.459 0.598 20 0 CCADLP COC[C@@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653096525 412217370 /nfs/dbraw/zinc/21/73/70/412217370.db2.gz NVRULRKJXBMESG-CABCVRRESA-N 2 2 293.411 0.639 20 0 CCADLP CCC1(CC)[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C[C@H]1OC ZINC000653104730 412219634 /nfs/dbraw/zinc/21/96/34/412219634.db2.gz SFKFFZREZVDSBF-JHJVBQTASA-N 2 2 285.432 0.975 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+](C)C ZINC000653107127 412219727 /nfs/dbraw/zinc/21/97/27/412219727.db2.gz YVMGYIJREPLTIV-OAHLLOKOSA-N 3 2 292.427 0.643 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000653109826 412222690 /nfs/dbraw/zinc/22/26/90/412222690.db2.gz OKINUMWQXABJQQ-QWHCGFSZSA-N 3 2 298.456 0.746 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000653111128 412224224 /nfs/dbraw/zinc/22/42/24/412224224.db2.gz FLUPWQAQTYDJGN-YNEHKIRRSA-N 3 2 268.405 0.008 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000653111128 412224226 /nfs/dbraw/zinc/22/42/26/412224226.db2.gz FLUPWQAQTYDJGN-YNEHKIRRSA-N 3 2 268.405 0.008 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000653113646 412225660 /nfs/dbraw/zinc/22/56/60/412225660.db2.gz KATYXTZHLBWBIZ-VHSXEESVSA-N 2 2 296.337 0.018 20 0 CCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)C[C@H]1C ZINC000653122514 412232973 /nfs/dbraw/zinc/23/29/73/412232973.db2.gz YFLXMWMXFHSVQX-HZSPNIEDSA-N 3 2 284.448 0.597 20 0 CCADLP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)C[C@H]1C ZINC000653122514 412232976 /nfs/dbraw/zinc/23/29/76/412232976.db2.gz YFLXMWMXFHSVQX-HZSPNIEDSA-N 3 2 284.448 0.597 20 0 CCADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653128803 412234269 /nfs/dbraw/zinc/23/42/69/412234269.db2.gz ZJJMIQAFDSZBAQ-NWDGAFQWSA-N 2 2 276.384 0.971 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1ccc(Cl)cn1 ZINC000653150536 412242899 /nfs/dbraw/zinc/24/28/99/412242899.db2.gz FGXLEYPRZWYSDX-LLVKDONJSA-N 2 2 270.764 0.630 20 0 CCADLP Cc1csc([C@H](C)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)n1 ZINC000653151394 412243855 /nfs/dbraw/zinc/24/38/55/412243855.db2.gz FQRZLZPGSNDXIX-KOLCDFICSA-N 2 2 284.429 0.950 20 0 CCADLP CO[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC[C@H]1C ZINC000653152546 412245352 /nfs/dbraw/zinc/24/53/52/412245352.db2.gz QFDPIYGDAVEPHZ-IJLUTSLNSA-N 2 2 257.378 0.149 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCCN(CC(F)F)CC1 ZINC000653158979 412246665 /nfs/dbraw/zinc/24/66/65/412246665.db2.gz QLMSYOHMZSQUHM-NSHDSACASA-N 2 2 292.374 0.065 20 0 CCADLP CC(C)[C@@H](O)C(C)(C)CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653157753 412247080 /nfs/dbraw/zinc/24/70/80/412247080.db2.gz LCNZPTUCFXHVEW-VXGBXAGGSA-N 2 2 273.421 0.425 20 0 CCADLP CC(C)[C@@H](O)C1(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653158793 412247368 /nfs/dbraw/zinc/24/73/68/412247368.db2.gz LYUFYGZIBHSRKH-NWDGAFQWSA-N 2 2 271.405 0.179 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[C@H](Oc2ccccc2)C1 ZINC000653167203 412249335 /nfs/dbraw/zinc/24/93/35/412249335.db2.gz MFGZACYAPBTMOM-GJZGRUSLSA-N 2 2 291.395 0.945 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000653168957 412250399 /nfs/dbraw/zinc/25/03/99/412250399.db2.gz WIEKGQJZGFFXFT-KFWWJZLASA-N 2 2 297.443 0.931 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000653587193 412320502 /nfs/dbraw/zinc/32/05/02/412320502.db2.gz UJOXAOQOPJZZOB-GDBMZVCRSA-N 2 2 278.396 0.723 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000653587193 412320506 /nfs/dbraw/zinc/32/05/06/412320506.db2.gz UJOXAOQOPJZZOB-GDBMZVCRSA-N 2 2 278.396 0.723 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)OCC12CCC2 ZINC000653779145 412347257 /nfs/dbraw/zinc/34/72/57/412347257.db2.gz OELHIYBXQQEMRS-QWHCGFSZSA-N 2 2 256.390 0.942 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)OCC12CCC2 ZINC000653779145 412347259 /nfs/dbraw/zinc/34/72/59/412347259.db2.gz OELHIYBXQQEMRS-QWHCGFSZSA-N 2 2 256.390 0.942 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](C)OCC12CCC2 ZINC000653779145 412347263 /nfs/dbraw/zinc/34/72/63/412347263.db2.gz OELHIYBXQQEMRS-QWHCGFSZSA-N 2 2 256.390 0.942 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](C)OCC12CCC2 ZINC000653779145 412347264 /nfs/dbraw/zinc/34/72/64/412347264.db2.gz OELHIYBXQQEMRS-QWHCGFSZSA-N 2 2 256.390 0.942 20 0 CCADLP Cn1cnnc1N1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000653823699 412353068 /nfs/dbraw/zinc/35/30/68/412353068.db2.gz LPKYLFAZOLCZCW-CYBMUJFWSA-N 2 2 278.404 0.421 20 0 CCADLP Cn1cnnc1N1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000653823699 412353070 /nfs/dbraw/zinc/35/30/70/412353070.db2.gz LPKYLFAZOLCZCW-CYBMUJFWSA-N 2 2 278.404 0.421 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000654737021 412434583 /nfs/dbraw/zinc/43/45/83/412434583.db2.gz JTBNUBUVHYKPDX-QWRGUYRKSA-N 2 2 250.346 0.799 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000654737021 412434585 /nfs/dbraw/zinc/43/45/85/412434585.db2.gz JTBNUBUVHYKPDX-QWRGUYRKSA-N 2 2 250.346 0.799 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000654737021 412434586 /nfs/dbraw/zinc/43/45/86/412434586.db2.gz JTBNUBUVHYKPDX-QWRGUYRKSA-N 2 2 250.346 0.799 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000654737021 412434589 /nfs/dbraw/zinc/43/45/89/412434589.db2.gz JTBNUBUVHYKPDX-QWRGUYRKSA-N 2 2 250.346 0.799 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000659434298 413494258 /nfs/dbraw/zinc/49/42/58/413494258.db2.gz KXHKTNKWUKXLSI-JTQLQIEISA-N 2 2 265.361 0.555 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000659429769 413494282 /nfs/dbraw/zinc/49/42/82/413494282.db2.gz DEKGQLAOOLVLFK-LLVKDONJSA-N 2 2 275.356 0.784 20 0 CCADLP CN(C)c1ccc(CNC(=O)NCC23CC(C2)C[NH2+]3)c[nH+]1 ZINC000659435288 413498317 /nfs/dbraw/zinc/49/83/17/413498317.db2.gz XHOKTIUGCBVNMY-UHFFFAOYSA-N 2 2 289.383 0.699 20 0 CCADLP C[C@H]([C@H](C)NC(=O)NCC1([NH3+])CCCC1)[NH+]1CCOCC1 ZINC000659450545 413510787 /nfs/dbraw/zinc/51/07/87/413510787.db2.gz PEOXGGBPPULHKA-QWHCGFSZSA-N 2 2 298.431 0.666 20 0 CCADLP C[N@@H+]1CC[C@H]2OCCN(C(=O)C=Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC000285177179 196213955 /nfs/dbraw/zinc/21/39/55/196213955.db2.gz ZHAKWRLFHPSWOK-XCUNLHGCSA-N 2 2 276.340 0.354 20 0 CCADLP C[N@H+]1CC[C@H]2OCCN(C(=O)C=Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC000285177179 196213956 /nfs/dbraw/zinc/21/39/56/196213956.db2.gz ZHAKWRLFHPSWOK-XCUNLHGCSA-N 2 2 276.340 0.354 20 0 CCADLP CCC[NH2+]CCNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000659527573 413604787 /nfs/dbraw/zinc/60/47/87/413604787.db2.gz WYYLUVHFMMRCDH-SNVBAGLBSA-N 2 2 253.350 0.780 20 0 CCADLP C[C@H](NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)c1[nH+]ccn1C ZINC000659540408 413628452 /nfs/dbraw/zinc/62/84/52/413628452.db2.gz SOZWDBWICXSTMX-GARJFASQSA-N 2 2 265.361 0.778 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCCc2ccco2)[C@H](C[NH3+])C1 ZINC000659623555 413720447 /nfs/dbraw/zinc/72/04/47/413720447.db2.gz FEFQUSLLIVVKHX-GFCCVEGCSA-N 2 2 280.372 0.497 20 0 CCADLP C[NH2+][C@@H]1CCCN(C(=O)N[C@@H](C)c2[nH+]ccn2C)C1 ZINC000659626665 413725247 /nfs/dbraw/zinc/72/52/47/413725247.db2.gz CYGGTXUXPGWJJP-WDEREUQCSA-N 2 2 265.361 0.875 20 0 CCADLP C[C@H](NC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)c1[nH+]ccn1C ZINC000659628147 413725688 /nfs/dbraw/zinc/72/56/88/413725688.db2.gz LXOSZFJLNQZOGT-SDDRHHMPSA-N 2 2 277.372 0.875 20 0 CCADLP C[C@H](NC(=O)N1CCC[NH2+]CC1)c1[nH+]ccn1C ZINC000659627000 413726459 /nfs/dbraw/zinc/72/64/59/413726459.db2.gz FYAJGOZXSKCDFI-JTQLQIEISA-N 2 2 251.334 0.486 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000659857036 413917601 /nfs/dbraw/zinc/91/76/01/413917601.db2.gz JJCVBQSDCJXXHH-OKILXGFUSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000659857036 413917604 /nfs/dbraw/zinc/91/76/04/413917604.db2.gz JJCVBQSDCJXXHH-OKILXGFUSA-N 2 2 267.417 0.876 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000659925681 413971993 /nfs/dbraw/zinc/97/19/93/413971993.db2.gz JCWOSNCLFDHGDE-ZIAGYGMSSA-N 2 2 298.431 0.177 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000659925681 413972003 /nfs/dbraw/zinc/97/20/03/413972003.db2.gz JCWOSNCLFDHGDE-ZIAGYGMSSA-N 2 2 298.431 0.177 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000659925681 413972010 /nfs/dbraw/zinc/97/20/10/413972010.db2.gz JCWOSNCLFDHGDE-ZIAGYGMSSA-N 2 2 298.431 0.177 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000659925681 413972020 /nfs/dbraw/zinc/97/20/20/413972020.db2.gz JCWOSNCLFDHGDE-ZIAGYGMSSA-N 2 2 298.431 0.177 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2COC(C)(C)C2)CC1 ZINC000660013643 414055753 /nfs/dbraw/zinc/05/57/53/414055753.db2.gz RVDATZADZPEKPW-UONOGXRCSA-N 2 2 295.427 0.792 20 0 CCADLP O=C(C[C@H]1COCC[NH2+]1)NCCCNc1cccc[nH+]1 ZINC000285758213 196389255 /nfs/dbraw/zinc/38/92/55/196389255.db2.gz KEFYOMDBACMRRO-LBPRGKRZSA-N 2 2 278.356 0.378 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@@]2(O)CCCOC2)C1 ZINC000660128907 414140078 /nfs/dbraw/zinc/14/00/78/414140078.db2.gz OCQDZTFUAUHYMW-OCCSQVGLSA-N 2 2 265.357 0.751 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@@]2(O)CCCOC2)C1 ZINC000660128907 414140086 /nfs/dbraw/zinc/14/00/86/414140086.db2.gz OCQDZTFUAUHYMW-OCCSQVGLSA-N 2 2 265.357 0.751 20 0 CCADLP Cn1cnc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000660163986 414171599 /nfs/dbraw/zinc/17/15/99/414171599.db2.gz DMRSDZBLGQBENL-UHFFFAOYSA-N 2 2 294.399 0.079 20 0 CCADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)NC[C@@H]1CCCO1)C2 ZINC000660651877 414430269 /nfs/dbraw/zinc/43/02/69/414430269.db2.gz DNSAGTIDYFXVLW-HOCLYGCPSA-N 2 2 295.427 0.699 20 0 CCADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)NC[C@@H]1CCCO1)C2 ZINC000660651877 414430274 /nfs/dbraw/zinc/43/02/74/414430274.db2.gz DNSAGTIDYFXVLW-HOCLYGCPSA-N 2 2 295.427 0.699 20 0 CCADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC(=O)NC[C@@H]1CCCO1)C2 ZINC000660651877 414430280 /nfs/dbraw/zinc/43/02/80/414430280.db2.gz DNSAGTIDYFXVLW-HOCLYGCPSA-N 2 2 295.427 0.699 20 0 CCADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC(=O)NC[C@@H]1CCCO1)C2 ZINC000660651877 414430284 /nfs/dbraw/zinc/43/02/84/414430284.db2.gz DNSAGTIDYFXVLW-HOCLYGCPSA-N 2 2 295.427 0.699 20 0 CCADLP Cn1c[nH+]c(CN2CCC(CO)([NH2+]CC3CC3)CC2)c1 ZINC000660760803 414475239 /nfs/dbraw/zinc/47/52/39/414475239.db2.gz MMVZRNNCZPVVHB-UHFFFAOYSA-N 2 2 278.400 0.747 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660843652 414501705 /nfs/dbraw/zinc/50/17/05/414501705.db2.gz GZYAJGXUIFNKQK-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC000660856410 414511275 /nfs/dbraw/zinc/51/12/75/414511275.db2.gz KIFTYEFQNPLRPM-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC000660856410 414511276 /nfs/dbraw/zinc/51/12/76/414511276.db2.gz KIFTYEFQNPLRPM-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[NH+]1CC[C@@H](NC(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000660856410 414511277 /nfs/dbraw/zinc/51/12/77/414511277.db2.gz KIFTYEFQNPLRPM-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[NH+]1CC[C@@H](NC(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC000660856410 414511278 /nfs/dbraw/zinc/51/12/78/414511278.db2.gz KIFTYEFQNPLRPM-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP Cc1noc(C)c1C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030950 174023888 /nfs/dbraw/zinc/02/38/88/174023888.db2.gz MSCDHEXYKZIWKH-UHFFFAOYSA-N 2 2 266.345 0.155 20 0 CCADLP Cc1noc(C)c1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030950 174023889 /nfs/dbraw/zinc/02/38/89/174023889.db2.gz MSCDHEXYKZIWKH-UHFFFAOYSA-N 2 2 266.345 0.155 20 0 CCADLP CN(C)C(=O)C[NH+]1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000038044833 174052611 /nfs/dbraw/zinc/05/26/11/174052611.db2.gz CIJZDNPWIXBZEN-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000040462478 174271714 /nfs/dbraw/zinc/27/17/14/174271714.db2.gz YWPNAQXYROGUCY-GHMZBOCLSA-N 2 2 257.378 0.197 20 0 CCADLP C[NH2+]CCC[N@H+](C)CCc1nnn(C(C)(C)C)n1 ZINC000662279910 414704880 /nfs/dbraw/zinc/70/48/80/414704880.db2.gz AMDLPQBCJRRWPT-UHFFFAOYSA-N 2 2 254.382 0.512 20 0 CCADLP C[NH2+]CCC[N@@H+](C)CCc1nnn(C(C)(C)C)n1 ZINC000662279910 414704881 /nfs/dbraw/zinc/70/48/81/414704881.db2.gz AMDLPQBCJRRWPT-UHFFFAOYSA-N 2 2 254.382 0.512 20 0 CCADLP Cc1cccc(C)c1NC(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662285545 414706159 /nfs/dbraw/zinc/70/61/59/414706159.db2.gz CXHATOVJHKPXRY-UHFFFAOYSA-N 2 2 291.395 0.946 20 0 CCADLP C[C@@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)CC(=O)N1 ZINC000662284569 414706169 /nfs/dbraw/zinc/70/61/69/414706169.db2.gz NNCYFYOADSLNJH-LLVKDONJSA-N 2 2 259.353 0.653 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CC(=O)N1 ZINC000662284569 414706170 /nfs/dbraw/zinc/70/61/70/414706170.db2.gz NNCYFYOADSLNJH-LLVKDONJSA-N 2 2 259.353 0.653 20 0 CCADLP O=C1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)Cc2ccccc2N1 ZINC000662284108 414706300 /nfs/dbraw/zinc/70/63/00/414706300.db2.gz LLUMNNGKQHNGJN-CYBMUJFWSA-N 2 2 287.363 0.962 20 0 CCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)NC1CCCCC1 ZINC000662286692 414706676 /nfs/dbraw/zinc/70/66/76/414706676.db2.gz XMHAOTINTRXMCU-UHFFFAOYSA-N 2 2 269.389 0.139 20 0 CCADLP Cc1ccc2[nH+]c(CNC3(CO)CC[NH2+]CC3)cn2c1 ZINC000662286446 414706795 /nfs/dbraw/zinc/70/67/95/414706795.db2.gz HRXXCVKSINBGEB-UHFFFAOYSA-N 2 2 274.368 0.847 20 0 CCADLP [NH3+]CC[N@H+](CCCc1ccccc1)C[C@@H](O)CO ZINC000662289337 414707039 /nfs/dbraw/zinc/70/70/39/414707039.db2.gz UOUHUJZMBSBPHQ-CQSZACIVSA-N 2 2 252.358 0.233 20 0 CCADLP [NH3+]CC[N@@H+](CCCc1ccccc1)C[C@@H](O)CO ZINC000662289337 414707040 /nfs/dbraw/zinc/70/70/40/414707040.db2.gz UOUHUJZMBSBPHQ-CQSZACIVSA-N 2 2 252.358 0.233 20 0 CCADLP CC(C)CNC(=O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662317933 414709160 /nfs/dbraw/zinc/70/91/60/414709160.db2.gz UISNXTCXZGYUND-AWEZNQCLSA-N 2 2 285.432 0.801 20 0 CCADLP CC(C)CNC(=O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662317933 414709161 /nfs/dbraw/zinc/70/91/61/414709161.db2.gz UISNXTCXZGYUND-AWEZNQCLSA-N 2 2 285.432 0.801 20 0 CCADLP CC[C@@H](C)NC(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662317993 414709252 /nfs/dbraw/zinc/70/92/52/414709252.db2.gz VNEZJPANZQFNRD-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP CC[C@@H](C)NC(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662317993 414709253 /nfs/dbraw/zinc/70/92/53/414709253.db2.gz VNEZJPANZQFNRD-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP Cn1cc[nH+]c1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662147885 414692822 /nfs/dbraw/zinc/69/28/22/414692822.db2.gz IGKLOTWITUMWSR-CYBMUJFWSA-N 2 2 264.373 0.451 20 0 CCADLP Cn1cc[nH+]c1CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662147885 414692823 /nfs/dbraw/zinc/69/28/23/414692823.db2.gz IGKLOTWITUMWSR-CYBMUJFWSA-N 2 2 264.373 0.451 20 0 CCADLP Cn1c[nH+]c(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000662151493 414693313 /nfs/dbraw/zinc/69/33/13/414693313.db2.gz IOKUMMZWMIJSMM-AWEZNQCLSA-N 2 2 264.373 0.451 20 0 CCADLP Cn1c[nH+]c(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000662151493 414693314 /nfs/dbraw/zinc/69/33/14/414693314.db2.gz IOKUMMZWMIJSMM-AWEZNQCLSA-N 2 2 264.373 0.451 20 0 CCADLP Cc1cncc(CC[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)n1 ZINC000662148493 414693958 /nfs/dbraw/zinc/69/39/58/414693958.db2.gz KYGGDPXCGUFYLW-MRXNPFEDSA-N 2 2 290.411 0.859 20 0 CCADLP Cc1cncc(CC[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)n1 ZINC000662148493 414693959 /nfs/dbraw/zinc/69/39/59/414693959.db2.gz KYGGDPXCGUFYLW-MRXNPFEDSA-N 2 2 290.411 0.859 20 0 CCADLP C[C@H](C(=O)NC(C)(C)C)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662160190 414694766 /nfs/dbraw/zinc/69/47/66/414694766.db2.gz MWOMXJMXKPKXPL-TZMCWYRMSA-N 2 2 297.443 0.821 20 0 CCADLP C[C@H](C(=O)NC(C)(C)C)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662160190 414694767 /nfs/dbraw/zinc/69/47/67/414694767.db2.gz MWOMXJMXKPKXPL-TZMCWYRMSA-N 2 2 297.443 0.821 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@@H]1CC1(C)C ZINC000662343137 414711209 /nfs/dbraw/zinc/71/12/09/414711209.db2.gz HQWIXQMKXXXSHQ-QWHCGFSZSA-N 2 2 258.406 0.903 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@@H]1CC1(C)C ZINC000662343137 414711210 /nfs/dbraw/zinc/71/12/10/414711210.db2.gz HQWIXQMKXXXSHQ-QWHCGFSZSA-N 2 2 258.406 0.903 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@@H]1CC1(C)C ZINC000662343137 414711211 /nfs/dbraw/zinc/71/12/11/414711211.db2.gz HQWIXQMKXXXSHQ-QWHCGFSZSA-N 2 2 258.406 0.903 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@@H]1CC1(C)C ZINC000662343137 414711212 /nfs/dbraw/zinc/71/12/12/414711212.db2.gz HQWIXQMKXXXSHQ-QWHCGFSZSA-N 2 2 258.406 0.903 20 0 CCADLP C[NH2+]CC1CC[NH+](Cc2nc(N(C)C)no2)CC1 ZINC000662244111 414698934 /nfs/dbraw/zinc/69/89/34/414698934.db2.gz BWWWTCHWTVKJSJ-UHFFFAOYSA-N 2 2 253.350 0.567 20 0 CCADLP C[C@@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)[C@H]1C[NH3+] ZINC000662244989 414698992 /nfs/dbraw/zinc/69/89/92/414698992.db2.gz KPBQYXCJAGRGHP-UPJWGTAASA-N 3 2 253.390 0.567 20 0 CCADLP C[C@@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)[C@H]1C[NH3+] ZINC000662244989 414698993 /nfs/dbraw/zinc/69/89/93/414698993.db2.gz KPBQYXCJAGRGHP-UPJWGTAASA-N 3 2 253.390 0.567 20 0 CCADLP C[C@H]([NH3+])C1CC[NH+](Cc2nnn(CC(F)(F)F)n2)CC1 ZINC000662247167 414699256 /nfs/dbraw/zinc/69/92/56/414699256.db2.gz UNTXYGMQXJTAKT-QMMMGPOBSA-N 2 2 292.309 0.795 20 0 CCADLP CC(C)N(C)C(=O)C1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662252478 414700015 /nfs/dbraw/zinc/70/00/15/414700015.db2.gz ORWAXFXRLQHIPQ-AWEZNQCLSA-N 2 2 283.416 0.554 20 0 CCADLP OCC[N@H+](C[C@H]1C[NH2+]CCO1)[C@@H]1CCc2ccccc21 ZINC000662254266 414700022 /nfs/dbraw/zinc/70/00/22/414700022.db2.gz GQTXKMPBLGVFJJ-GDBMZVCRSA-N 2 2 276.380 0.957 20 0 CCADLP OCC[N@@H+](C[C@H]1C[NH2+]CCO1)[C@@H]1CCc2ccccc21 ZINC000662254266 414700023 /nfs/dbraw/zinc/70/00/23/414700023.db2.gz GQTXKMPBLGVFJJ-GDBMZVCRSA-N 2 2 276.380 0.957 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000662257701 414700384 /nfs/dbraw/zinc/70/03/84/414700384.db2.gz UMMVFHZSBYHDFC-ZIAGYGMSSA-N 2 2 254.374 0.867 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000662257701 414700385 /nfs/dbraw/zinc/70/03/85/414700385.db2.gz UMMVFHZSBYHDFC-ZIAGYGMSSA-N 2 2 254.374 0.867 20 0 CCADLP [NH3+][C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC[C@H]1F ZINC000662748767 414756328 /nfs/dbraw/zinc/75/63/28/414756328.db2.gz GBOUEAHZNXPHDS-MGPQQGTHSA-N 2 2 299.390 0.528 20 0 CCADLP [NH3+][C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC[C@H]1F ZINC000662748767 414756335 /nfs/dbraw/zinc/75/63/35/414756335.db2.gz GBOUEAHZNXPHDS-MGPQQGTHSA-N 2 2 299.390 0.528 20 0 CCADLP COCC[NH2+]CC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000662760583 414770133 /nfs/dbraw/zinc/77/01/33/414770133.db2.gz XMDIHAYECYYSKT-GFCCVEGCSA-N 2 2 280.372 0.566 20 0 CCADLP CC(C)[NH2+]CC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000662381217 414712922 /nfs/dbraw/zinc/71/29/22/414712922.db2.gz WPLUMPKCMJDTQF-UHFFFAOYSA-N 2 2 250.346 0.762 20 0 CCADLP Cc1ccn2cc(CNC(=O)c3cn(CC[NH3+])nn3)[nH+]c2c1 ZINC000662399876 414714359 /nfs/dbraw/zinc/71/43/59/414714359.db2.gz DUYYKZWPLUOAHW-UHFFFAOYSA-N 2 2 299.338 0.123 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000662584632 414730447 /nfs/dbraw/zinc/73/04/47/414730447.db2.gz DIIDLKSFPLMISC-ZDUSSCGKSA-N 2 2 258.325 0.938 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000662584632 414730448 /nfs/dbraw/zinc/73/04/48/414730448.db2.gz DIIDLKSFPLMISC-ZDUSSCGKSA-N 2 2 258.325 0.938 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000662631983 414735073 /nfs/dbraw/zinc/73/50/73/414735073.db2.gz VZDPSDYYTYSLQI-CRWXNKLISA-N 2 2 283.416 0.600 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000662631983 414735074 /nfs/dbraw/zinc/73/50/74/414735074.db2.gz VZDPSDYYTYSLQI-CRWXNKLISA-N 2 2 283.416 0.600 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662654453 414737308 /nfs/dbraw/zinc/73/73/08/414737308.db2.gz CSPMMWCSHBTZJU-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000662658637 414737942 /nfs/dbraw/zinc/73/79/42/414737942.db2.gz GDQXQIJNTMPLIE-CHWSQXEVSA-N 2 2 290.367 0.094 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662668875 414739257 /nfs/dbraw/zinc/73/92/57/414739257.db2.gz RJIRUTRSLCYXHC-HIFRSBDPSA-N 3 2 296.459 0.789 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662668875 414739258 /nfs/dbraw/zinc/73/92/58/414739258.db2.gz RJIRUTRSLCYXHC-HIFRSBDPSA-N 3 2 296.459 0.789 20 0 CCADLP [NH3+]CC12CC(C1)CN2C(=O)c1ccc2[nH+]ccn2c1 ZINC000662678647 414739997 /nfs/dbraw/zinc/73/99/97/414739997.db2.gz HGSINURKIZRGFD-UHFFFAOYSA-N 2 2 256.309 0.898 20 0 CCADLP [NH3+][C@H]1C[C@H](C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000662683161 414740732 /nfs/dbraw/zinc/74/07/32/414740732.db2.gz WSSOKXBZYOMQRX-HAQNSBGRSA-N 2 2 274.368 0.904 20 0 CCADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000662694510 414742271 /nfs/dbraw/zinc/74/22/71/414742271.db2.gz RLDMJJSKWBGHHE-UONOGXRCSA-N 3 2 284.448 0.502 20 0 CCADLP [NH3+]C1(CC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000662793948 414800646 /nfs/dbraw/zinc/80/06/46/414800646.db2.gz CGSYSAGWDAQLGL-LLVKDONJSA-N 2 2 260.341 0.658 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000662857297 414848726 /nfs/dbraw/zinc/84/87/26/414848726.db2.gz KMSZQBKZXGXFGA-CQSZACIVSA-N 3 2 298.475 0.764 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000662857297 414848729 /nfs/dbraw/zinc/84/87/29/414848729.db2.gz KMSZQBKZXGXFGA-CQSZACIVSA-N 3 2 298.475 0.764 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]([NH3+])C(C)(C)C)[C@H](C)CO1 ZINC000662858667 414850203 /nfs/dbraw/zinc/85/02/03/414850203.db2.gz HHSNITHXOFRVNO-IJLUTSLNSA-N 2 2 271.405 0.585 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]([NH3+])C(C)(C)C)[C@H](C)CO1 ZINC000662858667 414850209 /nfs/dbraw/zinc/85/02/09/414850209.db2.gz HHSNITHXOFRVNO-IJLUTSLNSA-N 2 2 271.405 0.585 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2[NH2+]CCC2(C)C)[C@H](C)CO1 ZINC000662859463 414852031 /nfs/dbraw/zinc/85/20/31/414852031.db2.gz NCRRLFWXVIQGFD-UPJWGTAASA-N 2 2 283.416 0.600 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2[NH2+]CCC2(C)C)[C@H](C)CO1 ZINC000662859463 414852038 /nfs/dbraw/zinc/85/20/38/414852038.db2.gz NCRRLFWXVIQGFD-UPJWGTAASA-N 2 2 283.416 0.600 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@H]2CCCC[NH2+]2)[C@@H](C)CO1 ZINC000662860498 414853040 /nfs/dbraw/zinc/85/30/40/414853040.db2.gz SCCHEDXSVFJZDC-RWMBFGLXSA-N 2 2 269.389 0.354 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]2CCCC[NH2+]2)[C@@H](C)CO1 ZINC000662860498 414853045 /nfs/dbraw/zinc/85/30/45/414853045.db2.gz SCCHEDXSVFJZDC-RWMBFGLXSA-N 2 2 269.389 0.354 20 0 CCADLP COCC1(NC(=O)[C@H]([NH3+])CC[NH+](C)C)CCCCC1 ZINC000662988191 414938469 /nfs/dbraw/zinc/93/84/69/414938469.db2.gz QVDOZKKTWMGAGZ-GFCCVEGCSA-N 2 2 271.405 0.731 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000662899600 414879771 /nfs/dbraw/zinc/87/97/71/414879771.db2.gz GJOBYPMGLLLCNP-JQWIXIFHSA-N 2 2 295.387 0.180 20 0 CCADLP CN(C(=O)C(C)(C)[NH3+])[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900990 414879886 /nfs/dbraw/zinc/87/98/86/414879886.db2.gz RAFCWNCKJCBQMM-CYBMUJFWSA-N 3 2 282.432 0.351 20 0 CCADLP CN(C(=O)C(C)(C)[NH3+])[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900990 414879890 /nfs/dbraw/zinc/87/98/90/414879890.db2.gz RAFCWNCKJCBQMM-CYBMUJFWSA-N 3 2 282.432 0.351 20 0 CCADLP CCn1nccc1C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000663377962 415053716 /nfs/dbraw/zinc/05/37/16/415053716.db2.gz YTNAZQSDORDXAO-ZDUSSCGKSA-N 2 2 252.362 0.448 20 0 CCADLP CCn1nccc1C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000663377962 415053722 /nfs/dbraw/zinc/05/37/22/415053722.db2.gz YTNAZQSDORDXAO-ZDUSSCGKSA-N 2 2 252.362 0.448 20 0 CCADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(N(C)CCOC)nc1 ZINC000663513785 415082764 /nfs/dbraw/zinc/08/27/64/415082764.db2.gz MMUKGTWOLOVFOX-GFCCVEGCSA-N 2 2 266.389 0.862 20 0 CCADLP Cc1ccc(NC(=O)C(=O)N[C@@]2(C)CC[NH2+]C2)c(C)[nH+]1 ZINC000663612502 415095942 /nfs/dbraw/zinc/09/59/42/415095942.db2.gz INFVETBRUOENFS-AWEZNQCLSA-N 2 2 276.340 0.505 20 0 CCADLP [NH3+][C@@H]1CN(c2cc(-n3cc[nH+]c3)ncn2)CC[C@H]1F ZINC000663276527 415033341 /nfs/dbraw/zinc/03/33/41/415033341.db2.gz BEPKGRCRHQHUPL-NXEZZACHSA-N 2 2 262.292 0.538 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC[C@@H](C)[NH+](C)C ZINC000663640016 415100681 /nfs/dbraw/zinc/10/06/81/415100681.db2.gz ZTPOJFFHDHDEAI-CHWSQXEVSA-N 2 2 286.420 0.347 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ccoc1 ZINC000663809450 415141261 /nfs/dbraw/zinc/14/12/61/415141261.db2.gz URJCVLIREODLHW-UHFFFAOYSA-N 2 2 282.388 0.962 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ccoc1 ZINC000663809450 415141267 /nfs/dbraw/zinc/14/12/67/415141267.db2.gz URJCVLIREODLHW-UHFFFAOYSA-N 2 2 282.388 0.962 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC/C=C/CO)C2)CC1 ZINC000664131458 415249352 /nfs/dbraw/zinc/24/93/52/415249352.db2.gz YCCACKRITDTRMD-IBUXWKBASA-N 2 2 296.415 0.003 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC/C=C/CO)C2)CC1 ZINC000664131458 415249355 /nfs/dbraw/zinc/24/93/55/415249355.db2.gz YCCACKRITDTRMD-IBUXWKBASA-N 2 2 296.415 0.003 20 0 CCADLP Cc1cc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)nc[nH+]1 ZINC000664597015 415428776 /nfs/dbraw/zinc/42/87/76/415428776.db2.gz LZTYINZMLKQTQR-ZDUSSCGKSA-N 2 2 262.357 0.820 20 0 CCADLP Cc1cc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)nc[nH+]1 ZINC000664597015 415428781 /nfs/dbraw/zinc/42/87/81/415428781.db2.gz LZTYINZMLKQTQR-ZDUSSCGKSA-N 2 2 262.357 0.820 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC1CC(F)(F)C1 ZINC000664753169 415464279 /nfs/dbraw/zinc/46/42/79/415464279.db2.gz FAPXUTICHXGAQP-UHFFFAOYSA-N 2 2 292.374 0.967 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC1CC(F)(F)C1 ZINC000664753169 415464286 /nfs/dbraw/zinc/46/42/86/415464286.db2.gz FAPXUTICHXGAQP-UHFFFAOYSA-N 2 2 292.374 0.967 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000665106085 415535780 /nfs/dbraw/zinc/53/57/80/415535780.db2.gz VLBZPLFNGIHIDX-VXGBXAGGSA-N 2 2 273.340 0.927 20 0 CCADLP CO[C@H](C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1)[C@@H]1CCOC1 ZINC000665234732 415573323 /nfs/dbraw/zinc/57/33/23/415573323.db2.gz JLWAEVWZLVVEBX-YIYPIFLZSA-N 2 2 272.389 0.395 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2C)C1 ZINC000071147191 176043096 /nfs/dbraw/zinc/04/30/96/176043096.db2.gz GYGPOYVTWQNAQJ-QWHCGFSZSA-N 2 2 253.390 0.929 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2C)C1 ZINC000071147191 176043097 /nfs/dbraw/zinc/04/30/97/176043097.db2.gz GYGPOYVTWQNAQJ-QWHCGFSZSA-N 2 2 253.390 0.929 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000071276105 176106740 /nfs/dbraw/zinc/10/67/40/176106740.db2.gz WHGOYYZMFWLDNU-SRVKXCTJSA-N 2 2 262.357 0.957 20 0 CCADLP O=C(NCC[NH+]1CCCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000665532082 416450424 /nfs/dbraw/zinc/45/04/24/416450424.db2.gz ZWPCWFJZYKLVAY-GFCCVEGCSA-N 2 2 262.357 0.658 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC(C)(F)C3)C2)CC1 ZINC000684266527 545637755 /nfs/dbraw/zinc/63/77/55/545637755.db2.gz XXQUAJYELPBABF-GFCCVEGCSA-N 2 2 298.406 0.908 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC(C)(F)C3)C2)CC1 ZINC000684266527 545637759 /nfs/dbraw/zinc/63/77/59/545637759.db2.gz XXQUAJYELPBABF-GFCCVEGCSA-N 2 2 298.406 0.908 20 0 CCADLP COCC[C@H](C)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000088577653 544509216 /nfs/dbraw/zinc/50/92/16/544509216.db2.gz BRTHHHIEPVMGRE-LBPRGKRZSA-N 2 2 257.378 0.117 20 0 CCADLP C[C@H](CO)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000120942973 544574975 /nfs/dbraw/zinc/57/49/75/544574975.db2.gz MVWGCXDMFFNRCT-UONOGXRCSA-N 2 2 256.390 0.659 20 0 CCADLP C[C@H](CO)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000120942973 544574979 /nfs/dbraw/zinc/57/49/79/544574979.db2.gz MVWGCXDMFFNRCT-UONOGXRCSA-N 2 2 256.390 0.659 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+](C[C@H](C)CO)CC2)c1 ZINC000120849555 544575679 /nfs/dbraw/zinc/57/56/79/544575679.db2.gz WILJKXKCNDYQMX-LBPRGKRZSA-N 2 2 265.357 0.841 20 0 CCADLP C[C@@H](NC(=O)c1ccc(C[NH3+])o1)[C@@H](C)[NH+]1CCOCC1 ZINC000167690091 544728139 /nfs/dbraw/zinc/72/81/39/544728139.db2.gz WJVLZOXGVYKGTO-GHMZBOCLSA-N 2 2 281.356 0.577 20 0 CCADLP Cc1c[nH+]ccc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000191977317 544799586 /nfs/dbraw/zinc/79/95/86/544799586.db2.gz DFGBLMRZPVTOSG-GFCCVEGCSA-N 2 2 251.330 0.495 20 0 CCADLP O[C@@H](CNCC[NH+]1CCSCC1)C[NH+]1CCCC1 ZINC000230936217 544859291 /nfs/dbraw/zinc/85/92/91/544859291.db2.gz MYMWEPUDNVSWNC-ZDUSSCGKSA-N 2 2 273.446 0.082 20 0 CCADLP [NH3+]C1(CC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CCC1 ZINC000237980162 544899753 /nfs/dbraw/zinc/89/97/53/544899753.db2.gz NXBRFVVJSXJMCV-CYBMUJFWSA-N 2 2 281.400 0.581 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)NCc1c[nH+]cn1C ZINC000291274559 544972029 /nfs/dbraw/zinc/97/20/29/544972029.db2.gz QKCFJYIVOWYIMR-UHFFFAOYSA-N 2 2 259.313 0.811 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC1([NH+](C)C)CCC1 ZINC000527362537 269810771 /nfs/dbraw/zinc/81/07/71/269810771.db2.gz RUDFLNGDRDWVEM-UHFFFAOYSA-N 2 2 250.346 0.563 20 0 CCADLP NC(=O)NC(=O)CCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000171942239 335086038 /nfs/dbraw/zinc/08/60/38/335086038.db2.gz KKKYOYJAQBNPEG-UHFFFAOYSA-N 2 2 279.344 0.495 20 0 CCADLP O=C(CC[NH2+]C1CC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000519000070 265293197 /nfs/dbraw/zinc/29/31/97/265293197.db2.gz SETPFFOVIMARNS-CQSZACIVSA-N 2 2 281.400 0.452 20 0 CCADLP CCn1cc[nH+]c1CN(CCOC)CC[NH+](C)C ZINC000519231881 265370986 /nfs/dbraw/zinc/37/09/86/265370986.db2.gz IJFONTGBYZGSCD-UHFFFAOYSA-N 2 2 254.378 0.913 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000522138394 265399837 /nfs/dbraw/zinc/39/98/37/265399837.db2.gz BCYQVHGZCRCBMH-XQQFMLRXSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000522138394 265399841 /nfs/dbraw/zinc/39/98/41/265399841.db2.gz BCYQVHGZCRCBMH-XQQFMLRXSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H]1C[N@H+](Cc2cc(=O)n3ccsc3n2)CC[C@@H]1[NH3+] ZINC000094342222 274353306 /nfs/dbraw/zinc/35/33/06/274353306.db2.gz IQBIRCPJKNMNTL-KOLCDFICSA-N 2 2 278.381 0.925 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2cc(=O)n3ccsc3n2)CC[C@@H]1[NH3+] ZINC000094342222 274353307 /nfs/dbraw/zinc/35/33/07/274353307.db2.gz IQBIRCPJKNMNTL-KOLCDFICSA-N 2 2 278.381 0.925 20 0 CCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@H](C)[NH3+])C2 ZINC000168411167 275761405 /nfs/dbraw/zinc/76/14/05/275761405.db2.gz OUVXNNJFOMMWAH-VIFPVBQESA-N 2 2 250.346 0.775 20 0 CCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000430576491 276008475 /nfs/dbraw/zinc/00/84/75/276008475.db2.gz XNGRJAJULOEMMD-YRGRVCCFSA-N 2 2 271.405 0.585 20 0 CCADLP CC[NH+]1CCC([NH2+][C@H]2CCC(=O)N(C)C2=O)CC1 ZINC000090023608 276151868 /nfs/dbraw/zinc/15/18/68/276151868.db2.gz FVZRZSKCSDDKPN-NSHDSACASA-N 2 2 253.346 0.208 20 0 CCADLP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000341616800 276318092 /nfs/dbraw/zinc/31/80/92/276318092.db2.gz QZAZPZXIQDSMPC-UONOGXRCSA-N 2 2 284.448 0.469 20 0 CCADLP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000341616800 276318094 /nfs/dbraw/zinc/31/80/94/276318094.db2.gz QZAZPZXIQDSMPC-UONOGXRCSA-N 2 2 284.448 0.469 20 0 CCADLP CC[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)[C@@H](O)C(F)F ZINC000419707424 276637758 /nfs/dbraw/zinc/63/77/58/276637758.db2.gz FPFRVMHINFZLEA-VHSXEESVSA-N 2 2 276.331 0.980 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000379978530 545084280 /nfs/dbraw/zinc/08/42/80/545084280.db2.gz USCPMFZNZQZJRO-JTQLQIEISA-N 2 2 276.262 0.876 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)on1 ZINC000380637380 545084480 /nfs/dbraw/zinc/08/44/80/545084480.db2.gz LYPUMVCXPLKLDD-FZMZJTMJSA-N 2 2 278.356 0.982 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)on1 ZINC000380637380 545084481 /nfs/dbraw/zinc/08/44/81/545084481.db2.gz LYPUMVCXPLKLDD-FZMZJTMJSA-N 2 2 278.356 0.982 20 0 CCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@@H]1COCC[NH2+]1 ZINC000424186985 276997754 /nfs/dbraw/zinc/99/77/54/276997754.db2.gz IKAHCMNARVAXRF-LBPRGKRZSA-N 2 2 278.356 0.166 20 0 CCADLP C[NH2+]CCC[N@H+](C)[C@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000420386828 277022109 /nfs/dbraw/zinc/02/21/09/277022109.db2.gz JAJJTPRVTHITDE-MRVPVSSYSA-N 2 2 298.309 0.304 20 0 CCADLP C[NH2+]CCC[N@@H+](C)[C@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000420386828 277022110 /nfs/dbraw/zinc/02/21/10/277022110.db2.gz JAJJTPRVTHITDE-MRVPVSSYSA-N 2 2 298.309 0.304 20 0 CCADLP C[N@@H+]1CCN(C(=O)/C=C\C2CCCC2)[C@@H](C[NH3+])C1 ZINC000493055611 277088038 /nfs/dbraw/zinc/08/80/38/277088038.db2.gz SPEMTGCITVUKRX-FWWRYZNZSA-N 2 2 251.374 0.834 20 0 CCADLP C[N@H+]1CCN(C(=O)/C=C\C2CCCC2)[C@@H](C[NH3+])C1 ZINC000493055611 277088039 /nfs/dbraw/zinc/08/80/39/277088039.db2.gz SPEMTGCITVUKRX-FWWRYZNZSA-N 2 2 251.374 0.834 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000334241872 277094123 /nfs/dbraw/zinc/09/41/23/277094123.db2.gz PWNQRCRTLWBEHY-GFCCVEGCSA-N 2 2 276.384 0.998 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000334241872 277094124 /nfs/dbraw/zinc/09/41/24/277094124.db2.gz PWNQRCRTLWBEHY-GFCCVEGCSA-N 2 2 276.384 0.998 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1)C(C)C ZINC000250697823 277098904 /nfs/dbraw/zinc/09/89/04/277098904.db2.gz RAQLNMOMGHNETH-NJZAAPMLSA-N 2 2 283.416 0.775 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1)C(C)C ZINC000250697823 277098905 /nfs/dbraw/zinc/09/89/05/277098905.db2.gz RAQLNMOMGHNETH-NJZAAPMLSA-N 2 2 283.416 0.775 20 0 CCADLP C[NH+]1CCc2ncnc(N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)c2C1 ZINC000272147031 277190070 /nfs/dbraw/zinc/19/00/70/277190070.db2.gz CNODMUSSEKBWCP-WFASDCNBSA-N 2 2 287.411 0.995 20 0 CCADLP C[NH+]1CCc2ncnc(N3CC[C@@H]4CC[N@H+](C)C[C@@H]43)c2C1 ZINC000272147031 277190071 /nfs/dbraw/zinc/19/00/71/277190071.db2.gz CNODMUSSEKBWCP-WFASDCNBSA-N 2 2 287.411 0.995 20 0 CCADLP C[NH+]1CC[C@H]2CCN(c3ncnc4c3C[N@H+](C)CC4)[C@H]2C1 ZINC000272147031 277190072 /nfs/dbraw/zinc/19/00/72/277190072.db2.gz CNODMUSSEKBWCP-WFASDCNBSA-N 2 2 287.411 0.995 20 0 CCADLP C[NH+]1CC[C@H]2CCN(c3ncnc4c3C[N@@H+](C)CC4)[C@H]2C1 ZINC000272147031 277190075 /nfs/dbraw/zinc/19/00/75/277190075.db2.gz CNODMUSSEKBWCP-WFASDCNBSA-N 2 2 287.411 0.995 20 0 CCADLP CNC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000361653519 277231328 /nfs/dbraw/zinc/23/13/28/277231328.db2.gz IVRXCYCEQHNECC-GHMZBOCLSA-N 2 2 250.346 0.875 20 0 CCADLP CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425358412 277252572 /nfs/dbraw/zinc/25/25/72/277252572.db2.gz QTDBDZUJUYLPCG-NWDGAFQWSA-N 2 2 279.388 0.490 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]([NH3+])c1ccccc1)C[NH+]1CCOCC1 ZINC000237566401 277585476 /nfs/dbraw/zinc/58/54/76/277585476.db2.gz KEMKUDGZHJFPEE-ZFWWWQNUSA-N 2 2 291.395 0.771 20 0 CCADLP CC(C)[C@@H](C[NH3+])C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000433163293 277736544 /nfs/dbraw/zinc/73/65/44/277736544.db2.gz XLIOLRXUIABVNE-HUUCEWRRSA-N 2 2 297.443 0.931 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CC2(CS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC000181226922 278025208 /nfs/dbraw/zinc/02/52/08/278025208.db2.gz PJHBTUMLZQLFAD-VXGBXAGGSA-N 2 2 274.430 0.884 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CC2(CS(C)(=O)=O)CC2)CC[N@H+]1C ZINC000181226922 278025210 /nfs/dbraw/zinc/02/52/10/278025210.db2.gz PJHBTUMLZQLFAD-VXGBXAGGSA-N 2 2 274.430 0.884 20 0 CCADLP CS[C@H]1CN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@@H]1[NH+](C)C ZINC000343625798 278166786 /nfs/dbraw/zinc/16/67/86/278166786.db2.gz LFVWACUVHSCYAI-XGUBFFRZSA-N 2 2 299.484 0.827 20 0 CCADLP CS[C@H]1CN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@@H]1[NH+](C)C ZINC000343625798 278166787 /nfs/dbraw/zinc/16/67/87/278166787.db2.gz LFVWACUVHSCYAI-XGUBFFRZSA-N 2 2 299.484 0.827 20 0 CCADLP CSc1ccccc1NC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420354503 278177005 /nfs/dbraw/zinc/17/70/05/278177005.db2.gz OLQQJKVLNUWZFX-MNOVXSKESA-N 2 2 297.424 0.987 20 0 CCADLP CSc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420354503 278177007 /nfs/dbraw/zinc/17/70/07/278177007.db2.gz OLQQJKVLNUWZFX-MNOVXSKESA-N 2 2 297.424 0.987 20 0 CCADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000415098605 278216426 /nfs/dbraw/zinc/21/64/26/278216426.db2.gz WFGSYNCZMQZGGP-RDBSUJKOSA-N 3 2 255.406 0.875 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)[C@H]1C[C@H]1C ZINC000414109419 278345403 /nfs/dbraw/zinc/34/54/03/278345403.db2.gz HECFAMVKNUZOEG-FVCCEPFGSA-N 2 2 253.390 0.960 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)[C@H]1C[C@H]1C ZINC000414109419 278345405 /nfs/dbraw/zinc/34/54/05/278345405.db2.gz HECFAMVKNUZOEG-FVCCEPFGSA-N 2 2 253.390 0.960 20 0 CCADLP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000357143470 278580571 /nfs/dbraw/zinc/58/05/71/278580571.db2.gz KGCHQTHDFOBZBD-OLZOCXBDSA-N 2 2 282.432 0.269 20 0 CCADLP CC(C)(C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)N1CCOCC1 ZINC000422752051 278622217 /nfs/dbraw/zinc/62/22/17/278622217.db2.gz GQTFYHTZNHYDQC-LSDHHAIUSA-N 2 2 297.443 0.454 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000342814133 288091596 /nfs/dbraw/zinc/09/15/96/288091596.db2.gz WALFALQCURKYPJ-WUWHUORYSA-N 2 2 251.374 0.583 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000342814133 288091598 /nfs/dbraw/zinc/09/15/98/288091598.db2.gz WALFALQCURKYPJ-WUWHUORYSA-N 2 2 251.374 0.583 20 0 CCADLP CCN(C)C(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000335666680 279018640 /nfs/dbraw/zinc/01/86/40/279018640.db2.gz KIMNEMYNGHOBJJ-CQSZACIVSA-N 2 2 253.390 0.882 20 0 CCADLP CCN(C)C(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000335666680 279018641 /nfs/dbraw/zinc/01/86/41/279018641.db2.gz KIMNEMYNGHOBJJ-CQSZACIVSA-N 2 2 253.390 0.882 20 0 CCADLP CCN(C)C(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000335666680 279018642 /nfs/dbraw/zinc/01/86/42/279018642.db2.gz KIMNEMYNGHOBJJ-CQSZACIVSA-N 2 2 253.390 0.882 20 0 CCADLP CCN(C)C(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000335666680 279018643 /nfs/dbraw/zinc/01/86/43/279018643.db2.gz KIMNEMYNGHOBJJ-CQSZACIVSA-N 2 2 253.390 0.882 20 0 CCADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000377188934 279095156 /nfs/dbraw/zinc/09/51/56/279095156.db2.gz NRNCOUMWDZECTP-CHWSQXEVSA-N 2 2 253.390 0.929 20 0 CCADLP CC[NH+](CC)CCC[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000377188934 279095157 /nfs/dbraw/zinc/09/51/57/279095157.db2.gz NRNCOUMWDZECTP-CHWSQXEVSA-N 2 2 253.390 0.929 20 0 CCADLP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493636509 279111921 /nfs/dbraw/zinc/11/19/21/279111921.db2.gz YLRLTFAKTXLWGP-BLDJZWNYSA-N 2 2 278.356 0.336 20 0 CCADLP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493636509 279111924 /nfs/dbraw/zinc/11/19/24/279111924.db2.gz YLRLTFAKTXLWGP-BLDJZWNYSA-N 2 2 278.356 0.336 20 0 CCADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000356781870 279116803 /nfs/dbraw/zinc/11/68/03/279116803.db2.gz POALCOOGEWSELY-MCIONIFRSA-N 2 2 281.400 0.402 20 0 CCADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000356781870 279116805 /nfs/dbraw/zinc/11/68/05/279116805.db2.gz POALCOOGEWSELY-MCIONIFRSA-N 2 2 281.400 0.402 20 0 CCADLP Cc1[nH+]c2n(c1C)CCN(C(=O)[C@H]1CSC[NH2+]1)C2 ZINC000376213434 279132537 /nfs/dbraw/zinc/13/25/37/279132537.db2.gz YGGDCWXCMZWRLQ-SNVBAGLBSA-N 2 2 266.370 0.505 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000328618246 279171442 /nfs/dbraw/zinc/17/14/42/279171442.db2.gz UYLLVKUNSLPPED-JTQLQIEISA-N 2 2 263.301 0.268 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000328618246 279171443 /nfs/dbraw/zinc/17/14/43/279171443.db2.gz UYLLVKUNSLPPED-JTQLQIEISA-N 2 2 263.301 0.268 20 0 CCADLP CCN1CC[NH+](CCC(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)CC1 ZINC000356836232 279355437 /nfs/dbraw/zinc/35/54/37/279355437.db2.gz CPKRMEGGOUZAQX-GJZGRUSLSA-N 2 2 296.459 0.565 20 0 CCADLP CCN1CC[NH+](CCC(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)CC1 ZINC000356836232 279355438 /nfs/dbraw/zinc/35/54/38/279355438.db2.gz CPKRMEGGOUZAQX-GJZGRUSLSA-N 2 2 296.459 0.565 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000291865752 279371160 /nfs/dbraw/zinc/37/11/60/279371160.db2.gz JHKFNQOHJTVBSY-OCCSQVGLSA-N 2 2 295.431 0.868 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000291865752 279371165 /nfs/dbraw/zinc/37/11/65/279371165.db2.gz JHKFNQOHJTVBSY-OCCSQVGLSA-N 2 2 295.431 0.868 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000353459260 280071497 /nfs/dbraw/zinc/07/14/97/280071497.db2.gz LQUXZFXJQBXDOG-MCIONIFRSA-N 2 2 283.416 0.457 20 0 CCADLP C[C@]1(C[NH+]2CCN(c3ncc(F)cn3)CC2)CC[NH2+]C1 ZINC000261912139 280154840 /nfs/dbraw/zinc/15/48/40/280154840.db2.gz YNPLACGQWDXURP-AWEZNQCLSA-N 2 2 279.363 0.737 20 0 CCADLP CC[C@@H](O)C[NH+]1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000279324637 280203548 /nfs/dbraw/zinc/20/35/48/280203548.db2.gz CCWPNDPQCDWCHY-GFCCVEGCSA-N 2 2 280.372 0.257 20 0 CCADLP CC[C@H](C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)[NH+](C)C ZINC000342255905 280673234 /nfs/dbraw/zinc/67/32/34/280673234.db2.gz VKBYCQCPWAKQPS-BFHYXJOUSA-N 2 2 283.416 0.648 20 0 CCADLP Cc1cc[nH+]cc1N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000340102799 281488801 /nfs/dbraw/zinc/48/88/01/281488801.db2.gz FMOIXEOPGARPEL-UHFFFAOYSA-N 2 2 276.384 0.990 20 0 CCADLP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577270 282003407 /nfs/dbraw/zinc/00/34/07/282003407.db2.gz OSHJRGWWNULUGO-SDDRHHMPSA-N 2 2 253.390 0.831 20 0 CCADLP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577270 282003411 /nfs/dbraw/zinc/00/34/11/282003411.db2.gz OSHJRGWWNULUGO-SDDRHHMPSA-N 2 2 253.390 0.831 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000165291341 282069861 /nfs/dbraw/zinc/06/98/61/282069861.db2.gz CDWFNPXKQIGYIU-UHFFFAOYSA-N 2 2 285.432 0.979 20 0 CCADLP CN(C)C(=O)N1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000334437224 288980513 /nfs/dbraw/zinc/98/05/13/288980513.db2.gz HWNWWZOJQXFWFB-CYBMUJFWSA-N 2 2 254.378 0.285 20 0 CCADLP C[C@H](C(=O)N(C)C[C@@H]1CC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000354983302 289252496 /nfs/dbraw/zinc/25/24/96/289252496.db2.gz DZRJIOBQEDELFJ-CHWSQXEVSA-N 2 2 269.389 0.117 20 0 CCADLP C[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000354983302 289252497 /nfs/dbraw/zinc/25/24/97/289252497.db2.gz DZRJIOBQEDELFJ-CHWSQXEVSA-N 2 2 269.389 0.117 20 0 CCADLP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420358795 289316163 /nfs/dbraw/zinc/31/61/63/289316163.db2.gz UYPBEDQGCAODRW-XQHKEYJVSA-N 2 2 271.405 0.131 20 0 CCADLP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420358795 289316165 /nfs/dbraw/zinc/31/61/65/289316165.db2.gz UYPBEDQGCAODRW-XQHKEYJVSA-N 2 2 271.405 0.131 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)C1([NH+]2CCOCC2)CCC1)C1CC1 ZINC000360446519 289351829 /nfs/dbraw/zinc/35/18/29/289351829.db2.gz PLCGDIAVOCZKTD-CQSZACIVSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000355407352 289615935 /nfs/dbraw/zinc/61/59/35/289615935.db2.gz CESDWFSRTWYWHV-RDBSUJKOSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H]([C@@H](C)S(C)(=O)=O)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000346977521 290196973 /nfs/dbraw/zinc/19/69/73/290196973.db2.gz KXVMCUMLFSKVKT-UTUOFQBUSA-N 2 2 262.419 0.739 20 0 CCADLP C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000346977521 290196976 /nfs/dbraw/zinc/19/69/76/290196976.db2.gz KXVMCUMLFSKVKT-UTUOFQBUSA-N 2 2 262.419 0.739 20 0 CCADLP COC[C@H]([NH3+])C(=O)N[C@@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000357238690 293118134 /nfs/dbraw/zinc/11/81/34/293118134.db2.gz HIJYHQAVQVRXEC-STQMWFEESA-N 2 2 299.415 0.110 20 0 CCADLP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343918802 297075105 /nfs/dbraw/zinc/07/51/05/297075105.db2.gz FSGRXOIZWGYKCT-KFWWJZLASA-N 2 2 294.443 0.175 20 0 CCADLP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343918802 297075107 /nfs/dbraw/zinc/07/51/07/297075107.db2.gz FSGRXOIZWGYKCT-KFWWJZLASA-N 2 2 294.443 0.175 20 0 CCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccon1 ZINC000436061096 295226598 /nfs/dbraw/zinc/22/65/98/295226598.db2.gz SNYYZJMJBMQCTH-GFCCVEGCSA-N 2 2 266.345 0.494 20 0 CCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccon1 ZINC000436061096 295226601 /nfs/dbraw/zinc/22/66/01/295226601.db2.gz SNYYZJMJBMQCTH-GFCCVEGCSA-N 2 2 266.345 0.494 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCOC[C@H]1C ZINC000394130083 545087893 /nfs/dbraw/zinc/08/78/93/545087893.db2.gz LODZDHSSSYQRCG-CHWSQXEVSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCOC[C@H]1C ZINC000394130083 545087894 /nfs/dbraw/zinc/08/78/94/545087894.db2.gz LODZDHSSSYQRCG-CHWSQXEVSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCOC[C@H]1C ZINC000394130083 545087895 /nfs/dbraw/zinc/08/78/95/545087895.db2.gz LODZDHSSSYQRCG-CHWSQXEVSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCOC[C@H]1C ZINC000394130083 545087896 /nfs/dbraw/zinc/08/78/96/545087896.db2.gz LODZDHSSSYQRCG-CHWSQXEVSA-N 2 2 260.378 0.036 20 0 CCADLP C[C@H](C(=O)NC(C)(C)C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261877731 298128764 /nfs/dbraw/zinc/12/87/64/298128764.db2.gz ZXWDPVOLJANRRC-OLZOCXBDSA-N 2 2 282.432 0.269 20 0 CCADLP C[C@@H](C[NH2+]Cc1c[nH+]c2n1CCCC2)S(C)(=O)=O ZINC000580065976 327689271 /nfs/dbraw/zinc/68/92/71/327689271.db2.gz GCSWGTGNUMPVOY-JTQLQIEISA-N 2 2 271.386 0.742 20 0 CCADLP CC[C@@H]([NH3+])C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000584112020 327009653 /nfs/dbraw/zinc/00/96/53/327009653.db2.gz IUQNJVYKSMODMM-LLVKDONJSA-N 2 2 263.345 0.171 20 0 CCADLP C[C@@H]1CCC[C@@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000576253808 327026176 /nfs/dbraw/zinc/02/61/76/327026176.db2.gz BQONTEZKEQEMMF-JHJVBQTASA-N 2 2 268.405 0.849 20 0 CCADLP C[C@@H]1CCC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000576253808 327026178 /nfs/dbraw/zinc/02/61/78/327026178.db2.gz BQONTEZKEQEMMF-JHJVBQTASA-N 2 2 268.405 0.849 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CC(C)(C)CCO)C[C@@H](C)O1 ZINC000584172830 327057328 /nfs/dbraw/zinc/05/73/28/327057328.db2.gz HJZNOJFQNFJWGS-MGPQQGTHSA-N 2 2 288.432 0.455 20 0 CCADLP C[N@@H+]1CCN(C(=O)c2cccc3c2CCC3)[C@H](C[NH3+])C1 ZINC000584232215 327071315 /nfs/dbraw/zinc/07/13/15/327071315.db2.gz KCTNDZCPWNIWSF-CYBMUJFWSA-N 2 2 273.380 0.890 20 0 CCADLP C[N@H+]1CCN(C(=O)c2cccc3c2CCC3)[C@H](C[NH3+])C1 ZINC000584232215 327071317 /nfs/dbraw/zinc/07/13/17/327071317.db2.gz KCTNDZCPWNIWSF-CYBMUJFWSA-N 2 2 273.380 0.890 20 0 CCADLP COCC[NH+]1CCN(CCCc2c[nH+]cn2C)CC1 ZINC000583701506 329093092 /nfs/dbraw/zinc/09/30/92/329093092.db2.gz QRXTWVWQPJBPOI-UHFFFAOYSA-N 2 2 266.389 0.617 20 0 CCADLP COCCN1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000583701506 329093093 /nfs/dbraw/zinc/09/30/93/329093093.db2.gz QRXTWVWQPJBPOI-UHFFFAOYSA-N 2 2 266.389 0.617 20 0 CCADLP CCC([NH3+])(CC)CNC(=O)[C@H]([NH3+])c1cscn1 ZINC000582485970 329096456 /nfs/dbraw/zinc/09/64/56/329096456.db2.gz ZSEHXYLKOZEFDG-SECBINFHSA-N 2 2 256.375 0.777 20 0 CCADLP CNC(=O)CC[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000582853456 329280474 /nfs/dbraw/zinc/28/04/74/329280474.db2.gz FHGAZWDJZASXSL-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP CNC(=O)CC[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000582853456 329280476 /nfs/dbraw/zinc/28/04/76/329280476.db2.gz FHGAZWDJZASXSL-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H](C(=O)NCC[N@@H+]1CCOC[C@@H]1C)[NH+]1CC(C)C1 ZINC000582913337 329287938 /nfs/dbraw/zinc/28/79/38/329287938.db2.gz FWSOZLCZQWHOBM-QWHCGFSZSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@H](C(=O)NCC[N@H+]1CCOC[C@@H]1C)[NH+]1CC(C)C1 ZINC000582913337 329287940 /nfs/dbraw/zinc/28/79/40/329287940.db2.gz FWSOZLCZQWHOBM-QWHCGFSZSA-N 2 2 269.389 0.164 20 0 CCADLP Cc1nnsc1C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000583062968 329309122 /nfs/dbraw/zinc/30/91/22/329309122.db2.gz GKLSFJXTUYSTDZ-UHFFFAOYSA-N 2 2 278.385 0.902 20 0 CCADLP C[C@H](C(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C)[NH+]1CC(C)C1 ZINC000583093354 329314863 /nfs/dbraw/zinc/31/48/63/329314863.db2.gz HZZMFKOPXMZTPM-MELADBBJSA-N 2 2 283.416 0.240 20 0 CCADLP C[C@H](C(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C)[NH+]1CC(C)C1 ZINC000583093354 329314865 /nfs/dbraw/zinc/31/48/65/329314865.db2.gz HZZMFKOPXMZTPM-MELADBBJSA-N 2 2 283.416 0.240 20 0 CCADLP C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000584517536 329509565 /nfs/dbraw/zinc/50/95/65/329509565.db2.gz RAAOZBJWEFPDTB-SCUASFONSA-N 2 2 280.393 0.656 20 0 CCADLP CCS(=O)(=O)N(C)CCC[NH2+]Cc1c[nH+]c(C)n1C ZINC000580451343 330138606 /nfs/dbraw/zinc/13/86/06/330138606.db2.gz DEWGOKWZUOIMMO-UHFFFAOYSA-N 2 2 288.417 0.490 20 0 CCADLP C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C)[NH+]1CCOCC1 ZINC000580463456 330142662 /nfs/dbraw/zinc/14/26/62/330142662.db2.gz OJMYHRDENYCLSI-MELADBBJSA-N 2 2 283.416 0.506 20 0 CCADLP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)[NH+]1CCOCC1 ZINC000580463456 330142664 /nfs/dbraw/zinc/14/26/64/330142664.db2.gz OJMYHRDENYCLSI-MELADBBJSA-N 2 2 283.416 0.506 20 0 CCADLP C[C@@H](CNC(=O)C[NH+]1CC(C)(C)C1)C[NH+]1CCN(C)CC1 ZINC000553492202 334388401 /nfs/dbraw/zinc/38/84/01/334388401.db2.gz VDBNSSVKEMFTCM-AWEZNQCLSA-N 2 2 296.459 0.328 20 0 CCADLP C[C@@H](CNC(=O)C[NH+]1CC(C)(C)C1)CN1CC[NH+](C)CC1 ZINC000553492202 334388403 /nfs/dbraw/zinc/38/84/03/334388403.db2.gz VDBNSSVKEMFTCM-AWEZNQCLSA-N 2 2 296.459 0.328 20 0 CCADLP [NH3+]CC12CCC(CC1)CN2C(=O)[C@H]([NH3+])c1cscn1 ZINC000576407414 335200071 /nfs/dbraw/zinc/20/00/71/335200071.db2.gz LKDRVYRQGDOVMG-DMLGSKKGSA-N 2 2 280.397 0.873 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000576515884 335213588 /nfs/dbraw/zinc/21/35/88/335213588.db2.gz ASALSSSVJLXNPF-NWDGAFQWSA-N 2 2 272.393 0.086 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCC[C@@H]2CCCCO2)[C@@H](C[NH3+])C1 ZINC000576729992 335241025 /nfs/dbraw/zinc/24/10/25/335241025.db2.gz RWYJGKPAYMISNS-KBPBESRZSA-N 2 2 298.431 0.620 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCC[C@@H]2CCCCO2)[C@@H](C[NH3+])C1 ZINC000576729992 335241027 /nfs/dbraw/zinc/24/10/27/335241027.db2.gz RWYJGKPAYMISNS-KBPBESRZSA-N 2 2 298.431 0.620 20 0 CCADLP CC1CC[NH+](C[C@@H](O)C[NH2+]C[C@](C)(O)C(F)(F)F)CC1 ZINC000576943964 335267494 /nfs/dbraw/zinc/26/74/94/335267494.db2.gz NNOBHVQEISMFTJ-RYUDHWBXSA-N 2 2 298.349 0.982 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCCC[C@H]1O ZINC000576954617 335269405 /nfs/dbraw/zinc/26/94/05/335269405.db2.gz VISIZVYQJWPHIK-MGPQQGTHSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCCC[C@H]1O ZINC000576954617 335269406 /nfs/dbraw/zinc/26/94/06/335269406.db2.gz VISIZVYQJWPHIK-MGPQQGTHSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000576954617 335269407 /nfs/dbraw/zinc/26/94/07/335269407.db2.gz VISIZVYQJWPHIK-MGPQQGTHSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000576954617 335269408 /nfs/dbraw/zinc/26/94/08/335269408.db2.gz VISIZVYQJWPHIK-MGPQQGTHSA-N 2 2 274.405 0.161 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000576994014 335275264 /nfs/dbraw/zinc/27/52/64/335275264.db2.gz JGZIMKMWRBBMMU-JSGCOSHPSA-N 2 2 276.384 0.902 20 0 CCADLP OC1(CC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CCC1 ZINC000580550503 335277650 /nfs/dbraw/zinc/27/76/50/335277650.db2.gz NAMCKTVAHGXOET-STQMWFEESA-N 2 2 254.374 0.648 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCOCC2)CC1 ZINC000176505475 335290664 /nfs/dbraw/zinc/29/06/64/335290664.db2.gz RRZHRDPNMBWGKE-UHFFFAOYSA-N 2 2 284.404 0.054 20 0 CCADLP CC1(C)C[NH+](CC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000577076372 335296301 /nfs/dbraw/zinc/29/63/01/335296301.db2.gz QUXRTDIBSLWXKQ-LLVKDONJSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@@H](CCC1CC1)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000580632054 335306859 /nfs/dbraw/zinc/30/68/59/335306859.db2.gz KJUXLNVZABIZEH-WCQYABFASA-N 2 2 268.405 0.849 20 0 CCADLP C[C@@H](CCC1CC1)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000580632054 335306860 /nfs/dbraw/zinc/30/68/60/335306860.db2.gz KJUXLNVZABIZEH-WCQYABFASA-N 2 2 268.405 0.849 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000577164208 335312724 /nfs/dbraw/zinc/31/27/24/335312724.db2.gz UMDQUQHYSNLYDM-UKRRQHHQSA-N 2 2 296.415 0.102 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000577164208 335312726 /nfs/dbraw/zinc/31/27/26/335312726.db2.gz UMDQUQHYSNLYDM-UKRRQHHQSA-N 2 2 296.415 0.102 20 0 CCADLP COCc1noc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)n1 ZINC000577178831 335317306 /nfs/dbraw/zinc/31/73/06/335317306.db2.gz NOMULIBBPFEAIY-DCAQKATOSA-N 2 2 266.345 0.775 20 0 CCADLP COCc1noc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)n1 ZINC000577178831 335317307 /nfs/dbraw/zinc/31/73/07/335317307.db2.gz NOMULIBBPFEAIY-DCAQKATOSA-N 2 2 266.345 0.775 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000577365581 335341586 /nfs/dbraw/zinc/34/15/86/335341586.db2.gz VSMZPHSWUUPVOL-HNNXBMFYSA-N 3 2 267.417 0.658 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cn2cnc3ccccc32)[C@H](C[NH3+])C1 ZINC000577497045 335359620 /nfs/dbraw/zinc/35/96/20/335359620.db2.gz WEYDLGGUHPFOLB-GFCCVEGCSA-N 2 2 287.367 0.138 20 0 CCADLP C[N@H+]1CCN(C(=O)Cn2cnc3ccccc32)[C@H](C[NH3+])C1 ZINC000577497045 335359622 /nfs/dbraw/zinc/35/96/22/335359622.db2.gz WEYDLGGUHPFOLB-GFCCVEGCSA-N 2 2 287.367 0.138 20 0 CCADLP [NH3+]CC(F)(F)CC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000577525495 335364750 /nfs/dbraw/zinc/36/47/50/335364750.db2.gz CCLZVUMAOOGXEB-NSHDSACASA-N 2 2 284.310 0.539 20 0 CCADLP CCOCC[C@H](O)C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000577621806 335379548 /nfs/dbraw/zinc/37/95/48/335379548.db2.gz FBJHTLLQOVURTC-OBJOEFQTSA-N 2 2 256.390 0.989 20 0 CCADLP CCOCC[C@H](O)C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000577621806 335379550 /nfs/dbraw/zinc/37/95/50/335379550.db2.gz FBJHTLLQOVURTC-OBJOEFQTSA-N 2 2 256.390 0.989 20 0 CCADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000577875346 335415883 /nfs/dbraw/zinc/41/58/83/335415883.db2.gz YJOBPKMXYIBGOR-ZJUUUORDSA-N 2 2 274.328 0.518 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC2(C3CC3)CC2)[C@H](C[NH3+])C1 ZINC000581061852 336002103 /nfs/dbraw/zinc/00/21/03/336002103.db2.gz YBGBLVRXLMAKQG-GFCCVEGCSA-N 2 2 266.389 0.461 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC2(C3CC3)CC2)[C@H](C[NH3+])C1 ZINC000581061852 336002105 /nfs/dbraw/zinc/00/21/05/336002105.db2.gz YBGBLVRXLMAKQG-GFCCVEGCSA-N 2 2 266.389 0.461 20 0 CCADLP C[C@@H](C(=O)Nc1nc2c(s1)C[N@H+](C)CC2)C1C[NH2+]C1 ZINC000581127972 336011863 /nfs/dbraw/zinc/01/18/63/336011863.db2.gz MSDJXXGIHQBBKS-MRVPVSSYSA-N 2 2 280.397 0.925 20 0 CCADLP C[C@@H](C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)C1C[NH2+]C1 ZINC000581127972 336011864 /nfs/dbraw/zinc/01/18/64/336011864.db2.gz MSDJXXGIHQBBKS-MRVPVSSYSA-N 2 2 280.397 0.925 20 0 CCADLP C[C@H](CNC(=O)[C@H]([NH3+])c1cscn1)Cn1cc[nH+]c1 ZINC000581133686 336013243 /nfs/dbraw/zinc/01/32/43/336013243.db2.gz HUETXRYVPWHPOD-MWLCHTKSSA-N 2 2 279.369 0.792 20 0 CCADLP Cc1n[nH]cc1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000194360386 336018483 /nfs/dbraw/zinc/01/84/83/336018483.db2.gz SCJCHIMIOSVOTB-UHFFFAOYSA-N 2 2 277.416 0.932 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@H]2CCC(C)(C)O2)[C@H](C[NH3+])C1 ZINC000581240789 336029218 /nfs/dbraw/zinc/02/92/18/336029218.db2.gz ILSWXCYBCYLVQV-VXGBXAGGSA-N 2 2 284.404 0.228 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@H]2CCC(C)(C)O2)[C@H](C[NH3+])C1 ZINC000581240789 336029219 /nfs/dbraw/zinc/02/92/19/336029219.db2.gz ILSWXCYBCYLVQV-VXGBXAGGSA-N 2 2 284.404 0.228 20 0 CCADLP COC(=O)[C@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000581375316 336064264 /nfs/dbraw/zinc/06/42/64/336064264.db2.gz ZAHDBKHQYLPHHK-OAHLLOKOSA-N 2 2 290.363 0.706 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000581375316 336064265 /nfs/dbraw/zinc/06/42/65/336064265.db2.gz ZAHDBKHQYLPHHK-OAHLLOKOSA-N 2 2 290.363 0.706 20 0 CCADLP CCc1nnc(C2CC[NH+](C[C@@H](O)C[N@@H+](C)CC)CC2)[nH]1 ZINC000581377562 336064591 /nfs/dbraw/zinc/06/45/91/336064591.db2.gz IIHZLZHUFMKZSG-ZDUSSCGKSA-N 2 2 295.431 0.859 20 0 CCADLP CCc1nnc(C2CC[NH+](C[C@@H](O)C[N@H+](C)CC)CC2)[nH]1 ZINC000581377562 336064593 /nfs/dbraw/zinc/06/45/93/336064593.db2.gz IIHZLZHUFMKZSG-ZDUSSCGKSA-N 2 2 295.431 0.859 20 0 CCADLP CCc1n[nH]c(C2CC[NH+](C[C@@H](O)C[N@@H+](C)CC)CC2)n1 ZINC000581377562 336064594 /nfs/dbraw/zinc/06/45/94/336064594.db2.gz IIHZLZHUFMKZSG-ZDUSSCGKSA-N 2 2 295.431 0.859 20 0 CCADLP CCc1n[nH]c(C2CC[NH+](C[C@@H](O)C[N@H+](C)CC)CC2)n1 ZINC000581377562 336064596 /nfs/dbraw/zinc/06/45/96/336064596.db2.gz IIHZLZHUFMKZSG-ZDUSSCGKSA-N 2 2 295.431 0.859 20 0 CCADLP C[N@@H+](C[C@@H](O)CN1CCC[C@H]([NH+]2CCOCC2)C1)C1CC1 ZINC000382703604 336096047 /nfs/dbraw/zinc/09/60/47/336096047.db2.gz CZHJQMLWBHKMFZ-JKSUJKDBSA-N 2 2 297.443 0.238 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H](N2CCOCC2)C1)C1CC1 ZINC000382703604 336096048 /nfs/dbraw/zinc/09/60/48/336096048.db2.gz CZHJQMLWBHKMFZ-JKSUJKDBSA-N 2 2 297.443 0.238 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H](N2CCOCC2)C1)C1CC1 ZINC000382703604 336096050 /nfs/dbraw/zinc/09/60/50/336096050.db2.gz CZHJQMLWBHKMFZ-JKSUJKDBSA-N 2 2 297.443 0.238 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H](N2CCOCC2)C1)C1CC1 ZINC000382703604 336096051 /nfs/dbraw/zinc/09/60/51/336096051.db2.gz CZHJQMLWBHKMFZ-JKSUJKDBSA-N 2 2 297.443 0.238 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H](N2CCOCC2)C1)C1CC1 ZINC000382703604 336096052 /nfs/dbraw/zinc/09/60/52/336096052.db2.gz CZHJQMLWBHKMFZ-JKSUJKDBSA-N 2 2 297.443 0.238 20 0 CCADLP C[N@@H+](C[C@H](O)CN1CCC[C@H]([NH+]2CCOCC2)C1)C1CC1 ZINC000382703600 336096129 /nfs/dbraw/zinc/09/61/29/336096129.db2.gz CZHJQMLWBHKMFZ-HOTGVXAUSA-N 2 2 297.443 0.238 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H](N2CCOCC2)C1)C1CC1 ZINC000382703600 336096131 /nfs/dbraw/zinc/09/61/31/336096131.db2.gz CZHJQMLWBHKMFZ-HOTGVXAUSA-N 2 2 297.443 0.238 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H](N2CCOCC2)C1)C1CC1 ZINC000382703600 336096132 /nfs/dbraw/zinc/09/61/32/336096132.db2.gz CZHJQMLWBHKMFZ-HOTGVXAUSA-N 2 2 297.443 0.238 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H](N2CCOCC2)C1)C1CC1 ZINC000382703600 336096134 /nfs/dbraw/zinc/09/61/34/336096134.db2.gz CZHJQMLWBHKMFZ-HOTGVXAUSA-N 2 2 297.443 0.238 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H](N2CCOCC2)C1)C1CC1 ZINC000382703600 336096135 /nfs/dbraw/zinc/09/61/35/336096135.db2.gz CZHJQMLWBHKMFZ-HOTGVXAUSA-N 2 2 297.443 0.238 20 0 CCADLP CO[C@@H]1CC[N@H+](CCn2cc(C)cn2)[C@H](C[NH3+])C1 ZINC000385355019 336144539 /nfs/dbraw/zinc/14/45/39/336144539.db2.gz HFWSVGKOZWMCOS-QWHCGFSZSA-N 2 2 252.362 0.630 20 0 CCADLP CO[C@@H]1CC[N@@H+](CCn2cc(C)cn2)[C@H](C[NH3+])C1 ZINC000385355019 336144541 /nfs/dbraw/zinc/14/45/41/336144541.db2.gz HFWSVGKOZWMCOS-QWHCGFSZSA-N 2 2 252.362 0.630 20 0 CCADLP C[N@@H+]1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)[C@H](C[NH3+])C1 ZINC000581776918 336145550 /nfs/dbraw/zinc/14/55/50/336145550.db2.gz DUTOSCNUIGSMLI-HUUCEWRRSA-N 3 2 290.411 0.568 20 0 CCADLP C[N@H+]1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)[C@H](C[NH3+])C1 ZINC000581776918 336145551 /nfs/dbraw/zinc/14/55/51/336145551.db2.gz DUTOSCNUIGSMLI-HUUCEWRRSA-N 3 2 290.411 0.568 20 0 CCADLP C[N@@H+]1CCN(c2ncnc3cc(F)c(F)cc32)[C@@H](C[NH3+])C1 ZINC000581934072 336171955 /nfs/dbraw/zinc/17/19/55/336171955.db2.gz GNVQBTYGPPIRBN-VIFPVBQESA-N 2 2 293.321 0.987 20 0 CCADLP C[N@H+]1CCN(c2ncnc3cc(F)c(F)cc32)[C@@H](C[NH3+])C1 ZINC000581934072 336171957 /nfs/dbraw/zinc/17/19/57/336171957.db2.gz GNVQBTYGPPIRBN-VIFPVBQESA-N 2 2 293.321 0.987 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000417516679 545094228 /nfs/dbraw/zinc/09/42/28/545094228.db2.gz OIJKKDKCPBGHBU-AGIUHOORSA-N 2 2 284.404 0.276 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000417516679 545094229 /nfs/dbraw/zinc/09/42/29/545094229.db2.gz OIJKKDKCPBGHBU-AGIUHOORSA-N 2 2 284.404 0.276 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418501364 533853979 /nfs/dbraw/zinc/85/39/79/533853979.db2.gz RAADFRPPRFJQJY-WCQYABFASA-N 2 2 284.404 0.086 20 0 CCADLP CS[C@@H]1CC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000425366142 533985856 /nfs/dbraw/zinc/98/58/56/533985856.db2.gz ZOJRLTLPHFMHFI-SDDRHHMPSA-N 2 2 271.430 0.810 20 0 CCADLP CS[C@@H]1CC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000425366142 533985864 /nfs/dbraw/zinc/98/58/64/533985864.db2.gz ZOJRLTLPHFMHFI-SDDRHHMPSA-N 2 2 271.430 0.810 20 0 CCADLP C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000423596987 534014992 /nfs/dbraw/zinc/01/49/92/534014992.db2.gz SYIXUPRUHKKQDT-WCQYABFASA-N 2 2 285.351 0.995 20 0 CCADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424157486 534080115 /nfs/dbraw/zinc/08/01/15/534080115.db2.gz PPPXDMHLFSCAOU-KGLIPLIRSA-N 2 2 289.379 0.687 20 0 CCADLP C[C@@H](CNc1nc(N[C@@H]2CCCOC2)cc[nH+]1)[NH+](C)C ZINC000450824700 534098096 /nfs/dbraw/zinc/09/80/96/534098096.db2.gz XMHUNZLRKCBSII-NWDGAFQWSA-N 2 2 279.388 0.851 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@H]1CSC[NH2+]1)[NH+]1CCOCC1 ZINC000164309313 519794711 /nfs/dbraw/zinc/79/47/11/519794711.db2.gz DJWDKZICBAPLDG-VXGBXAGGSA-N 2 2 287.429 0.122 20 0 CCADLP CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CCn3cc[nH+]c3C2)C1(C)C ZINC000157226903 520559632 /nfs/dbraw/zinc/55/96/32/520559632.db2.gz SKUKXABJBRQMAP-XHDPSFHLSA-N 2 2 292.383 0.758 20 0 CCADLP CC[NH+](CC)CCCN1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000365188929 520608526 /nfs/dbraw/zinc/60/85/26/520608526.db2.gz HZWUUXYLMZODOW-AWEZNQCLSA-N 2 2 255.406 0.735 20 0 CCADLP CC[NH+](CC)CCCN1CC[N@H+]2CCOC[C@@H]2C1 ZINC000365188929 520608531 /nfs/dbraw/zinc/60/85/31/520608531.db2.gz HZWUUXYLMZODOW-AWEZNQCLSA-N 2 2 255.406 0.735 20 0 CCADLP CC[NH+](CC)CCC[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000365188929 520608536 /nfs/dbraw/zinc/60/85/36/520608536.db2.gz HZWUUXYLMZODOW-AWEZNQCLSA-N 2 2 255.406 0.735 20 0 CCADLP CC[NH+](CC)CCC[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000365188929 520608541 /nfs/dbraw/zinc/60/85/41/520608541.db2.gz HZWUUXYLMZODOW-AWEZNQCLSA-N 2 2 255.406 0.735 20 0 CCADLP CC[NH+](CC)CCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000049152944 520676233 /nfs/dbraw/zinc/67/62/33/520676233.db2.gz HAKFJRXEFNAONI-GFCCVEGCSA-N 2 2 267.377 0.913 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)Nc1[nH+]cnc2c1cnn2C ZINC000340865884 520712097 /nfs/dbraw/zinc/71/20/97/520712097.db2.gz JQLSJTZKZYMLSQ-LLVKDONJSA-N 2 2 292.387 0.868 20 0 CCADLP CCOC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000363449764 520777651 /nfs/dbraw/zinc/77/76/51/520777651.db2.gz MBCAKAKASVETQG-AWEZNQCLSA-N 2 2 283.416 0.650 20 0 CCADLP CCOC(=O)C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000363449764 520777660 /nfs/dbraw/zinc/77/76/60/520777660.db2.gz MBCAKAKASVETQG-AWEZNQCLSA-N 2 2 283.416 0.650 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000163990895 521648993 /nfs/dbraw/zinc/64/89/93/521648993.db2.gz ODXBKIXHHCHXFC-WDEREUQCSA-N 2 2 259.375 0.684 20 0 CCADLP C[N@H+](CC(=O)NC[C@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353158193 522480625 /nfs/dbraw/zinc/48/06/25/522480625.db2.gz YHHYEPOCCHBWSG-IZGVIRRGSA-N 2 2 295.427 0.839 20 0 CCADLP C[N@@H+](CC(=O)NC[C@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353158193 522480637 /nfs/dbraw/zinc/48/06/37/522480637.db2.gz YHHYEPOCCHBWSG-IZGVIRRGSA-N 2 2 295.427 0.839 20 0 CCADLP C[NH+](CC(=O)NC[C@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353158193 522480648 /nfs/dbraw/zinc/48/06/48/522480648.db2.gz YHHYEPOCCHBWSG-IZGVIRRGSA-N 2 2 295.427 0.839 20 0 CCADLP C[NH+](CC(=O)NC[C@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353158193 522480652 /nfs/dbraw/zinc/48/06/52/522480652.db2.gz YHHYEPOCCHBWSG-IZGVIRRGSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000526997284 545101695 /nfs/dbraw/zinc/10/16/95/545101695.db2.gz VHYCRCDVOGVONL-NSHDSACASA-N 2 2 250.346 0.895 20 0 CCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000526997284 545101696 /nfs/dbraw/zinc/10/16/96/545101696.db2.gz VHYCRCDVOGVONL-NSHDSACASA-N 2 2 250.346 0.895 20 0 CCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000526997284 545101697 /nfs/dbraw/zinc/10/16/97/545101697.db2.gz VHYCRCDVOGVONL-NSHDSACASA-N 2 2 250.346 0.895 20 0 CCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000526997284 545101698 /nfs/dbraw/zinc/10/16/98/545101698.db2.gz VHYCRCDVOGVONL-NSHDSACASA-N 2 2 250.346 0.895 20 0 CCADLP Cc1nc(N2CCN(C(=O)N[C@@H](C)[C@H](C)[NH3+])CC2)cc[nH+]1 ZINC000418728288 534754118 /nfs/dbraw/zinc/75/41/18/534754118.db2.gz QEAHXOILTRKEFZ-QWRGUYRKSA-N 2 2 292.387 0.352 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@H]3C[C@H](F)C[NH2+]3)CC2)cc[nH+]1 ZINC000423789777 534756089 /nfs/dbraw/zinc/75/60/89/534756089.db2.gz XCDOZTMHZNYQNS-NWDGAFQWSA-N 2 2 293.346 0.134 20 0 CCADLP CNC(=O)[C@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000182776905 524116079 /nfs/dbraw/zinc/11/60/79/524116079.db2.gz BZWAOZNMPCKWTI-LBPRGKRZSA-N 2 2 250.346 0.731 20 0 CCADLP CNC(=O)[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000182776905 524116085 /nfs/dbraw/zinc/11/60/85/524116085.db2.gz BZWAOZNMPCKWTI-LBPRGKRZSA-N 2 2 250.346 0.731 20 0 CCADLP C[C@@H](CC(=O)NCC[NH+]1CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000155972915 524371921 /nfs/dbraw/zinc/37/19/21/524371921.db2.gz WPVYGJRWMJTHBE-KBPBESRZSA-N 2 2 283.416 0.461 20 0 CCADLP Cc1ccc2[nH+]cc(CN3CCO[C@@H](C[NH3+])C3)n2c1 ZINC000357968685 526257776 /nfs/dbraw/zinc/25/77/76/526257776.db2.gz OLBQBWDNSZUWPF-ZDUSSCGKSA-N 2 2 260.341 0.802 20 0 CCADLP c1nc(N2CC[NH+]([C@H]3CCOC3)CC2)cc(NC2CC2)[nH+]1 ZINC000665707781 545104254 /nfs/dbraw/zinc/10/42/54/545104254.db2.gz PIEDTBIUDRQRDS-ZDUSSCGKSA-N 2 2 289.383 0.962 20 0 CCADLP C[C@@H]1CN(c2nc[nH+]c3c2OCCN3)C[C@H](C)[N@H+]1CCO ZINC000665722066 545105593 /nfs/dbraw/zinc/10/55/93/545105593.db2.gz AJNMDOSKOXCBHR-PHIMTYICSA-N 2 2 293.371 0.172 20 0 CCADLP C[C@@H]1CN(c2nc[nH+]c3c2OCCN3)C[C@H](C)[N@@H+]1CCO ZINC000665722066 545105594 /nfs/dbraw/zinc/10/55/94/545105594.db2.gz AJNMDOSKOXCBHR-PHIMTYICSA-N 2 2 293.371 0.172 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000666810840 545131529 /nfs/dbraw/zinc/13/15/29/545131529.db2.gz VQULDIKTQKTTEK-BXUZGUMPSA-N 2 2 276.384 0.971 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000666810840 545131530 /nfs/dbraw/zinc/13/15/30/545131530.db2.gz VQULDIKTQKTTEK-BXUZGUMPSA-N 2 2 276.384 0.971 20 0 CCADLP COc1cccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)c1F ZINC000667037247 545137616 /nfs/dbraw/zinc/13/76/16/545137616.db2.gz GAZWELUCKISJLX-NSHDSACASA-N 2 2 254.305 0.912 20 0 CCADLP CC[NH+]1CCN(C(=O)N[C@@H](C)c2[nH+]ccn2C)CC1 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ZINC000676701642 545349531 /nfs/dbraw/zinc/34/95/31/545349531.db2.gz DYCKSJUVEGYYON-UONOGXRCSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@@H](C(=O)N(C)C)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000676701642 545349532 /nfs/dbraw/zinc/34/95/32/545349532.db2.gz DYCKSJUVEGYYON-UONOGXRCSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@H](C(=O)N[C@H]1CCC[N@H+](C)C1)[NH+]1CCSCC1 ZINC000676842196 545353453 /nfs/dbraw/zinc/35/34/53/545353453.db2.gz YVAZDLGIRWDNAE-NEPJUHHUSA-N 2 2 271.430 0.634 20 0 CCADLP C[C@H](C(=O)N[C@H]1CCC[N@@H+](C)C1)[NH+]1CCSCC1 ZINC000676842196 545353454 /nfs/dbraw/zinc/35/34/54/545353454.db2.gz YVAZDLGIRWDNAE-NEPJUHHUSA-N 2 2 271.430 0.634 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1C[N@H+](C)CCO1 ZINC000676844404 545353879 /nfs/dbraw/zinc/35/38/79/545353879.db2.gz IYLMKTIUJZORQF-SCRDCRAPSA-N 2 2 292.383 0.281 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676844404 545353880 /nfs/dbraw/zinc/35/38/80/545353880.db2.gz IYLMKTIUJZORQF-SCRDCRAPSA-N 2 2 292.383 0.281 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+]CCC[NH+]2CCC[C@H]2C(N)=O)[C@H](C)C1 ZINC000347351265 535768932 /nfs/dbraw/zinc/76/89/32/535768932.db2.gz DLPQWMNQCXYDDQ-ILXRZTDVSA-N 3 2 296.459 0.646 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+]CCC[NH+]2CCC[C@H]2C(N)=O)[C@H](C)C1 ZINC000347351265 535768935 /nfs/dbraw/zinc/76/89/35/535768935.db2.gz DLPQWMNQCXYDDQ-ILXRZTDVSA-N 3 2 296.459 0.646 20 0 CCADLP CC[NH+]1CC[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)[C@H](C)C1 ZINC000347351265 535768938 /nfs/dbraw/zinc/76/89/38/535768938.db2.gz DLPQWMNQCXYDDQ-ILXRZTDVSA-N 3 2 296.459 0.646 20 0 CCADLP CC[NH+]1CC[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)[C@H](C)C1 ZINC000347351265 535768941 /nfs/dbraw/zinc/76/89/41/535768941.db2.gz DLPQWMNQCXYDDQ-ILXRZTDVSA-N 3 2 296.459 0.646 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000344260418 535783691 /nfs/dbraw/zinc/78/36/91/535783691.db2.gz LCYWUPYWAOXOKQ-KBPBESRZSA-N 3 2 282.432 0.080 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000344260418 535783693 /nfs/dbraw/zinc/78/36/93/535783693.db2.gz LCYWUPYWAOXOKQ-KBPBESRZSA-N 3 2 282.432 0.080 20 0 CCADLP CN(CC[NH+](C)C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000344002251 535850166 /nfs/dbraw/zinc/85/01/66/535850166.db2.gz ATNBHYSAJDDRID-NSHDSACASA-N 2 2 250.346 0.466 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1)C(=O)OC ZINC000251854318 535962416 /nfs/dbraw/zinc/96/24/16/535962416.db2.gz NLPJASJTXNUCCL-MNXVOIDGSA-N 2 2 299.415 0.359 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1)C(=O)OC ZINC000251854318 535962421 /nfs/dbraw/zinc/96/24/21/535962421.db2.gz NLPJASJTXNUCCL-MNXVOIDGSA-N 2 2 299.415 0.359 20 0 CCADLP Cn1nnc2cc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)ccc21 ZINC000344846283 535973292 /nfs/dbraw/zinc/97/32/92/535973292.db2.gz LCWAHTSVJOEGOH-CQSZACIVSA-N 2 2 277.372 0.371 20 0 CCADLP Cn1nnnc1CC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000678498048 545393153 /nfs/dbraw/zinc/39/31/53/545393153.db2.gz DGBFFZOYWRRAFM-UHFFFAOYSA-N 2 2 257.301 0.190 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+]2CC3(C2)CC(F)(F)C3)CC1 ZINC000678531962 545393964 /nfs/dbraw/zinc/39/39/64/545393964.db2.gz UUBBRGNBIYQPRV-UHFFFAOYSA-N 2 2 273.327 0.492 20 0 CCADLP C[C@@H](NC(=O)N(C)Cc1[nH+]ccn1C)[C@@H]1C[N@H+](C)CCO1 ZINC000678781566 545397555 /nfs/dbraw/zinc/39/75/55/545397555.db2.gz KFSQNEBRFQIADB-NEPJUHHUSA-N 2 2 295.387 0.281 20 0 CCADLP C[C@@H](NC(=O)N(C)Cc1[nH+]ccn1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000678781566 545397556 /nfs/dbraw/zinc/39/75/56/545397556.db2.gz KFSQNEBRFQIADB-NEPJUHHUSA-N 2 2 295.387 0.281 20 0 CCADLP Cn1c2ccccc2nc1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000347093400 536373368 /nfs/dbraw/zinc/37/33/68/536373368.db2.gz GXXAPGDOAWTWSO-UHFFFAOYSA-N 2 2 287.411 0.910 20 0 CCADLP Cn1c2ccccc2nc1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000347093400 536373370 /nfs/dbraw/zinc/37/33/70/536373370.db2.gz GXXAPGDOAWTWSO-UHFFFAOYSA-N 2 2 287.411 0.910 20 0 CCADLP C[NH+]1C[C@@H]2CN(C(=O)C3([NH+]4CCOCC4)CCC3)C[C@H]2C1 ZINC000347610640 536488985 /nfs/dbraw/zinc/48/89/85/536488985.db2.gz FZHURPGCSNTRDS-ZIAGYGMSSA-N 2 2 293.411 0.261 20 0 CCADLP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000679340680 545407484 /nfs/dbraw/zinc/40/74/84/545407484.db2.gz PQWPZPIBOXQUNF-JQWIXIFHSA-N 2 2 251.378 0.615 20 0 CCADLP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000679340680 545407485 /nfs/dbraw/zinc/40/74/85/545407485.db2.gz PQWPZPIBOXQUNF-JQWIXIFHSA-N 2 2 251.378 0.615 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000262806601 536566940 /nfs/dbraw/zinc/56/69/40/536566940.db2.gz FNWHSOFTONLXIT-ZDUSSCGKSA-N 2 2 292.383 0.662 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNc2cncc3ncnn32)CC1 ZINC000679932070 545419176 /nfs/dbraw/zinc/41/91/76/545419176.db2.gz SBPQMGXVWRUWAQ-UHFFFAOYSA-N 2 2 289.387 0.562 20 0 CCADLP COCCn1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000427112981 536842905 /nfs/dbraw/zinc/84/29/05/536842905.db2.gz GNOOIPAUZWKOEF-UONOGXRCSA-N 2 2 264.373 0.713 20 0 CCADLP COCCn1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000427112981 536842913 /nfs/dbraw/zinc/84/29/13/536842913.db2.gz GNOOIPAUZWKOEF-UONOGXRCSA-N 2 2 264.373 0.713 20 0 CCADLP COCCC1(C)C[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000357437753 536852481 /nfs/dbraw/zinc/85/24/81/536852481.db2.gz KXRNMMXXYVAIIZ-CYBMUJFWSA-N 2 2 256.390 0.800 20 0 CCADLP COCCC1(C)C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000357437753 536852485 /nfs/dbraw/zinc/85/24/85/536852485.db2.gz KXRNMMXXYVAIIZ-CYBMUJFWSA-N 2 2 256.390 0.800 20 0 CCADLP CCn1nccc1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000681278802 545448844 /nfs/dbraw/zinc/44/88/44/545448844.db2.gz YCMQZRDENAYZIX-UHFFFAOYSA-N 2 2 293.415 0.659 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1cc[nH+]cc1N(C)C ZINC000681358156 545451692 /nfs/dbraw/zinc/45/16/92/545451692.db2.gz RVKYPRCWGKXBRP-LBPRGKRZSA-N 2 2 292.383 0.476 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC000681551539 545455799 /nfs/dbraw/zinc/45/57/99/545455799.db2.gz RHPARTDWUBNFFZ-NWDGAFQWSA-N 2 2 274.368 0.798 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682460327 545479651 /nfs/dbraw/zinc/47/96/51/545479651.db2.gz QBOHXNQTWRBCJY-VXGBXAGGSA-N 2 2 273.340 0.847 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682520817 545482156 /nfs/dbraw/zinc/48/21/56/545482156.db2.gz SMPCYLQZVDBHOY-JHJVBQTASA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682520817 545482157 /nfs/dbraw/zinc/48/21/57/545482157.db2.gz SMPCYLQZVDBHOY-JHJVBQTASA-N 2 2 276.384 0.997 20 0 CCADLP O=C(NCCNc1cc[nH+]cc1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682608161 545485509 /nfs/dbraw/zinc/48/55/09/545485509.db2.gz XMUWUZRKXCFQHF-GFCCVEGCSA-N 2 2 285.351 0.491 20 0 CCADLP C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)c2c[nH]c[nH+]2)C1 ZINC000683918871 545585198 /nfs/dbraw/zinc/58/51/98/545585198.db2.gz XWOQOLXEJPRRJM-SNVBAGLBSA-N 2 2 250.346 0.755 20 0 CCADLP C[N@H+]1CC[C@H](CNC(=O)C(C)(C)c2c[nH]c[nH+]2)C1 ZINC000683918871 545585200 /nfs/dbraw/zinc/58/52/00/545585200.db2.gz XWOQOLXEJPRRJM-SNVBAGLBSA-N 2 2 250.346 0.755 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCC3)C[C@H]21 ZINC000962290925 649897608 /nfs/dbraw/zinc/89/76/08/649897608.db2.gz DGPFGEKOMWYDAH-FOLVSLTJSA-N 2 2 288.395 0.809 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCC3)C[C@H]21 ZINC000962290925 649897609 /nfs/dbraw/zinc/89/76/09/649897609.db2.gz DGPFGEKOMWYDAH-FOLVSLTJSA-N 2 2 288.395 0.809 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000743857180 581136092 /nfs/dbraw/zinc/13/60/92/581136092.db2.gz OILUNLYEHUAUQJ-JKSUJKDBSA-N 2 2 297.443 0.240 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000743857180 581136095 /nfs/dbraw/zinc/13/60/95/581136095.db2.gz OILUNLYEHUAUQJ-JKSUJKDBSA-N 2 2 297.443 0.240 20 0 CCADLP O[C@@H](CN1CCC[C@H]1C[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000743857180 581136097 /nfs/dbraw/zinc/13/60/97/581136097.db2.gz OILUNLYEHUAUQJ-JKSUJKDBSA-N 2 2 297.443 0.240 20 0 CCADLP O[C@H]1COC[C@H]1[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000205432259 581143973 /nfs/dbraw/zinc/14/39/73/581143973.db2.gz JADIHDHXSJVLMA-KGLIPLIRSA-N 2 2 254.374 0.696 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@@H](C2CC2)O1 ZINC000791559189 581224837 /nfs/dbraw/zinc/22/48/37/581224837.db2.gz RWBHLTFIEZSTNV-SNPRPXQTSA-N 2 2 268.401 0.942 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@@H](C2CC2)O1 ZINC000791559189 581224838 /nfs/dbraw/zinc/22/48/38/581224838.db2.gz RWBHLTFIEZSTNV-SNPRPXQTSA-N 2 2 268.401 0.942 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)NC[C@H]2CCC[NH+]2C)CCO1 ZINC000726713998 581247575 /nfs/dbraw/zinc/24/75/75/581247575.db2.gz XNSLLNXIXDWLPK-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)NC[C@H]2CCC[NH+]2C)CCO1 ZINC000726713998 581247576 /nfs/dbraw/zinc/24/75/76/581247576.db2.gz XNSLLNXIXDWLPK-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)NC[C@H]2CCC[N@@H+]2C)CCO1 ZINC000726713998 581247579 /nfs/dbraw/zinc/24/75/79/581247579.db2.gz XNSLLNXIXDWLPK-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)NC[C@H]2CCC[N@H+]2C)CCO1 ZINC000726713998 581247581 /nfs/dbraw/zinc/24/75/81/581247581.db2.gz XNSLLNXIXDWLPK-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CC3OCCO3)C2)CC1 ZINC000793490842 581300682 /nfs/dbraw/zinc/30/06/82/581300682.db2.gz HLXISRFTFJKHQB-LBPRGKRZSA-N 2 2 297.399 0.034 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CC3OCCO3)C2)CC1 ZINC000793490842 581300684 /nfs/dbraw/zinc/30/06/84/581300684.db2.gz HLXISRFTFJKHQB-LBPRGKRZSA-N 2 2 297.399 0.034 20 0 CCADLP COc1c(C)c[nH+]c(CNC(=O)C[NH+](C)C)c1C ZINC000727310182 581316196 /nfs/dbraw/zinc/31/61/96/581316196.db2.gz VNTSYGCHIVIQOP-UHFFFAOYSA-N 2 2 251.330 0.885 20 0 CCADLP C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000783252910 581342254 /nfs/dbraw/zinc/34/22/54/581342254.db2.gz WXTVFHCHDBNOER-MCIONIFRSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@@H]1CC[C@@H]1[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000783252914 581342359 /nfs/dbraw/zinc/34/23/59/581342359.db2.gz WXTVFHCHDBNOER-RDBSUJKOSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@H]1COCC[N@H+](CN2C[C@@H](c3c[nH+]cn3C)CC2=O)C1 ZINC000783989232 581369960 /nfs/dbraw/zinc/36/99/60/581369960.db2.gz FQRIIMMAGFBTCY-OLZOCXBDSA-N 2 2 292.383 0.662 20 0 CCADLP C[C@H]1COCC[N@@H+](CN2C[C@@H](c3c[nH+]cn3C)CC2=O)C1 ZINC000783989232 581369962 /nfs/dbraw/zinc/36/99/62/581369962.db2.gz FQRIIMMAGFBTCY-OLZOCXBDSA-N 2 2 292.383 0.662 20 0 CCADLP COC(=O)C[C@]1([NH2+]Cc2c[nH+]c[nH]2)CCCOC1 ZINC000796457527 581441671 /nfs/dbraw/zinc/44/16/71/581441671.db2.gz XBWMUOMKYVZPLA-GFCCVEGCSA-N 2 2 253.302 0.612 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[N@@H+]1C ZINC000787059367 581456451 /nfs/dbraw/zinc/45/64/51/581456451.db2.gz FWARQSGHAZFTCM-VXGBXAGGSA-N 2 2 262.357 0.608 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[N@H+]1C ZINC000787059367 581456453 /nfs/dbraw/zinc/45/64/53/581456453.db2.gz FWARQSGHAZFTCM-VXGBXAGGSA-N 2 2 262.357 0.608 20 0 CCADLP O=C(NC1CC1)[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000733613377 581515544 /nfs/dbraw/zinc/51/55/44/581515544.db2.gz QFQPFNQFBLIJCQ-KGLIPLIRSA-N 2 2 281.400 0.186 20 0 CCADLP O=C(NC1CC1)[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000733613377 581515546 /nfs/dbraw/zinc/51/55/46/581515546.db2.gz QFQPFNQFBLIJCQ-KGLIPLIRSA-N 2 2 281.400 0.186 20 0 CCADLP O=C(NC1CC1)[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000733613376 581515793 /nfs/dbraw/zinc/51/57/93/581515793.db2.gz QFQPFNQFBLIJCQ-KBPBESRZSA-N 2 2 281.400 0.186 20 0 CCADLP O=C(NC1CC1)[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000733613376 581515795 /nfs/dbraw/zinc/51/57/95/581515795.db2.gz QFQPFNQFBLIJCQ-KBPBESRZSA-N 2 2 281.400 0.186 20 0 CCADLP O=C1CC[C@H]([NH+]2CCC(n3cc[nH+]c3)CC2)C(=O)N1 ZINC000765965089 581542692 /nfs/dbraw/zinc/54/26/92/581542692.db2.gz PAGBUVDDAIVGLX-NSHDSACASA-N 2 2 262.313 0.325 20 0 CCADLP CN(C(=O)C1=COCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000734127959 581547671 /nfs/dbraw/zinc/54/76/71/581547671.db2.gz KWHRMCFMJOFXRS-OAHLLOKOSA-N 2 2 293.411 0.918 20 0 CCADLP CN(C(=O)C1=COCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000734127959 581547674 /nfs/dbraw/zinc/54/76/74/581547674.db2.gz KWHRMCFMJOFXRS-OAHLLOKOSA-N 2 2 293.411 0.918 20 0 CCADLP CCONC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000729223505 581563061 /nfs/dbraw/zinc/56/30/61/581563061.db2.gz MVUKCLZJKZFDIZ-UHFFFAOYSA-N 2 2 284.404 0.796 20 0 CCADLP CNC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000729542761 581603307 /nfs/dbraw/zinc/60/33/07/581603307.db2.gz SGGOGOCGSZSZDU-STQMWFEESA-N 2 2 269.389 0.044 20 0 CCADLP CNC(=O)[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000729542761 581603309 /nfs/dbraw/zinc/60/33/09/581603309.db2.gz SGGOGOCGSZSZDU-STQMWFEESA-N 2 2 269.389 0.044 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1nnc2ccccn21 ZINC000756107771 581656728 /nfs/dbraw/zinc/65/67/28/581656728.db2.gz WSSNFRSOLRJCLL-NEPJUHHUSA-N 2 2 259.357 0.812 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1nnc2ccccn21 ZINC000756107771 581656731 /nfs/dbraw/zinc/65/67/31/581656731.db2.gz WSSNFRSOLRJCLL-NEPJUHHUSA-N 2 2 259.357 0.812 20 0 CCADLP COC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000756141227 581657451 /nfs/dbraw/zinc/65/74/51/581657451.db2.gz NYGYURKKKKNJNY-FUNVUKJBSA-N 2 2 267.373 0.996 20 0 CCADLP COC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000756141227 581657455 /nfs/dbraw/zinc/65/74/55/581657455.db2.gz NYGYURKKKKNJNY-FUNVUKJBSA-N 2 2 267.373 0.996 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=S)NCC[NH+](C)C ZINC000767689493 581895601 /nfs/dbraw/zinc/89/56/01/581895601.db2.gz GSLGIDSFFICINB-UHFFFAOYSA-N 2 2 269.418 0.641 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)CC2CC2)CC[N@@H+]1C ZINC000773068547 581907619 /nfs/dbraw/zinc/90/76/19/581907619.db2.gz ZTMOCTFNZKRLLW-YPMHNXCESA-N 2 2 274.430 0.884 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCS(=O)(=O)CC2CC2)CC[N@H+]1C ZINC000773068547 581907622 /nfs/dbraw/zinc/90/76/22/581907622.db2.gz ZTMOCTFNZKRLLW-YPMHNXCESA-N 2 2 274.430 0.884 20 0 CCADLP CC[C@H](C(=O)OCC[NH+]1CCOCC1)[NH+](CC)CC ZINC000747703982 581950820 /nfs/dbraw/zinc/95/08/20/581950820.db2.gz NCQACZUEDSRUSH-CYBMUJFWSA-N 2 2 272.389 0.982 20 0 CCADLP COC(=O)/C(C)=C/C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000748824014 581989508 /nfs/dbraw/zinc/98/95/08/581989508.db2.gz GYIHWDYJWJDFGB-MIJQFGFMSA-N 2 2 282.384 0.760 20 0 CCADLP COC(=O)/C(C)=C/C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000748824014 581989510 /nfs/dbraw/zinc/98/95/10/581989510.db2.gz GYIHWDYJWJDFGB-MIJQFGFMSA-N 2 2 282.384 0.760 20 0 CCADLP COC[C@H](O)C[NH+]1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000749337009 582003346 /nfs/dbraw/zinc/00/33/46/582003346.db2.gz VYJXZGVMONIXJO-LLVKDONJSA-N 2 2 287.429 0.493 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCN1CCOC1=O ZINC000751778168 582092637 /nfs/dbraw/zinc/09/26/37/582092637.db2.gz YSAZMUUSVAYSKY-OLZOCXBDSA-N 2 2 267.373 0.997 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCN1CCOC1=O ZINC000751778168 582092641 /nfs/dbraw/zinc/09/26/41/582092641.db2.gz YSAZMUUSVAYSKY-OLZOCXBDSA-N 2 2 267.373 0.997 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCN1CCOC1=O ZINC000751778168 582092643 /nfs/dbraw/zinc/09/26/43/582092643.db2.gz YSAZMUUSVAYSKY-OLZOCXBDSA-N 2 2 267.373 0.997 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCN1CCOC1=O ZINC000751778168 582092645 /nfs/dbraw/zinc/09/26/45/582092645.db2.gz YSAZMUUSVAYSKY-OLZOCXBDSA-N 2 2 267.373 0.997 20 0 CCADLP COC(=O)[C@H]1[C@H](C[NH2+]CC(C)(C)[NH+](C)C)C1(F)F ZINC000894146766 616738686 /nfs/dbraw/zinc/73/86/86/616738686.db2.gz WFJUAJVAWGSMHS-DTWKUNHWSA-N 2 2 264.316 0.971 20 0 CCADLP CNS(=O)(=O)CCC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931351711 617007762 /nfs/dbraw/zinc/00/77/62/617007762.db2.gz TWQOFIVQKNACGN-UHFFFAOYSA-N 2 2 277.434 0.342 20 0 CCADLP CC(C)C[N@H+](C)CCCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000869125357 614066232 /nfs/dbraw/zinc/06/62/32/614066232.db2.gz VYYGVBBSWKLSEA-XQRVVYSFSA-N 2 2 297.443 0.969 20 0 CCADLP CC(C)C[N@@H+](C)CCCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000869125357 614066234 /nfs/dbraw/zinc/06/62/34/614066234.db2.gz VYYGVBBSWKLSEA-XQRVVYSFSA-N 2 2 297.443 0.969 20 0 CCADLP CC(C)COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931282967 614166868 /nfs/dbraw/zinc/16/68/68/614166868.db2.gz OZGCJKUFYKIRLQ-MQYQWHSLSA-N 2 2 256.390 0.512 20 0 CCADLP CC(C)COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931282967 614166869 /nfs/dbraw/zinc/16/68/69/614166869.db2.gz OZGCJKUFYKIRLQ-MQYQWHSLSA-N 2 2 256.390 0.512 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCF)C1 ZINC000898489095 614253908 /nfs/dbraw/zinc/25/39/08/614253908.db2.gz AZAZZBJJTBRBMO-GFCCVEGCSA-N 2 2 259.369 0.877 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCF)C1 ZINC000898489095 614253913 /nfs/dbraw/zinc/25/39/13/614253913.db2.gz AZAZZBJJTBRBMO-GFCCVEGCSA-N 2 2 259.369 0.877 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898489095 614253914 /nfs/dbraw/zinc/25/39/14/614253914.db2.gz AZAZZBJJTBRBMO-GFCCVEGCSA-N 2 2 259.369 0.877 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898489095 614253916 /nfs/dbraw/zinc/25/39/16/614253916.db2.gz AZAZZBJJTBRBMO-GFCCVEGCSA-N 2 2 259.369 0.877 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519215 614422780 /nfs/dbraw/zinc/42/27/80/614422780.db2.gz KIIGWJPZGJILSC-NWDGAFQWSA-N 2 2 282.388 0.154 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519215 614422781 /nfs/dbraw/zinc/42/27/81/614422781.db2.gz KIIGWJPZGJILSC-NWDGAFQWSA-N 2 2 282.388 0.154 20 0 CCADLP C([NH2+][C@H]1C[NH2+]CCOC1)[C@]12C[C@H]1COC21CCC1 ZINC000902459579 613222723 /nfs/dbraw/zinc/22/27/23/613222723.db2.gz CHKBWKAIJZYMCS-RWMBFGLXSA-N 2 2 252.358 0.524 20 0 CCADLP C(C[NH2+][C@H]1C[NH2+]CCOC1)COC[C@@H]1CCCO1 ZINC000925514560 613225394 /nfs/dbraw/zinc/22/53/94/613225394.db2.gz QWUXIVHZOZWBGM-STQMWFEESA-N 2 2 258.362 0.150 20 0 CCADLP C/C(=C/C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C)C[NH+]1CCOCC1 ZINC000907518975 613239255 /nfs/dbraw/zinc/23/92/55/613239255.db2.gz JXWUTCMJBXLCSW-MKQVVRHOSA-N 2 2 295.427 0.864 20 0 CCADLP C/C(=C\C(=O)N1CC[C@H]([NH+]2CCC2)C1)C[NH+]1CCOCC1 ZINC000912902070 613253411 /nfs/dbraw/zinc/25/34/11/613253411.db2.gz JEJLGBBTIKQKCU-GOFCXVBSSA-N 2 2 293.411 0.572 20 0 CCADLP C/C(=C\C(=O)NCC[NH+]1CCCC1)C[NH+]1CCOCC1 ZINC000900011191 613255943 /nfs/dbraw/zinc/25/59/43/613255943.db2.gz NDWDEILPYGTZOQ-WYMLVPIESA-N 2 2 281.400 0.477 20 0 CCADLP C/C(=C\C(=O)NC[C@H]1CCC[N@H+]1C)C[NH+]1CCOCC1 ZINC000900695533 613257455 /nfs/dbraw/zinc/25/74/55/613257455.db2.gz QNQVFVIKSVDRGP-JWAFFJSPSA-N 2 2 281.400 0.475 20 0 CCADLP C/C(=C\C(=O)NC[C@H]1CCC[N@@H+]1C)C[NH+]1CCOCC1 ZINC000900695533 613257456 /nfs/dbraw/zinc/25/74/56/613257456.db2.gz QNQVFVIKSVDRGP-JWAFFJSPSA-N 2 2 281.400 0.475 20 0 CCADLP C/C(=C\C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)C[NH+]1CCOCC1 ZINC000900834204 613258638 /nfs/dbraw/zinc/25/86/38/613258638.db2.gz ZEHUCFXSEJRUQR-RTZSPXFWSA-N 2 2 295.427 0.864 20 0 CCADLP C/C(=C\C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)C[NH+]1CCOCC1 ZINC000900834204 613258641 /nfs/dbraw/zinc/25/86/41/613258641.db2.gz ZEHUCFXSEJRUQR-RTZSPXFWSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC000979341599 613965002 /nfs/dbraw/zinc/96/50/02/613965002.db2.gz AWTANYFONUUXPQ-KBPBESRZSA-N 2 2 294.399 0.887 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@@H+]1CCC2(C1)OCCO2)[NH+](C)C ZINC000899057310 614076146 /nfs/dbraw/zinc/07/61/46/614076146.db2.gz BIFLPAAAEKOLHJ-ZDUSSCGKSA-N 2 2 299.415 0.138 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@H+]1CCC2(C1)OCCO2)[NH+](C)C ZINC000899057310 614076147 /nfs/dbraw/zinc/07/61/47/614076147.db2.gz BIFLPAAAEKOLHJ-ZDUSSCGKSA-N 2 2 299.415 0.138 20 0 CCADLP CC(C)[C@@H](CNC(=O)NC[C@H]1CC[N@@H+]1C)[NH+]1CCOCC1 ZINC000913992667 614095729 /nfs/dbraw/zinc/09/57/29/614095729.db2.gz FWZDJPCNZMFWGJ-ZIAGYGMSSA-N 2 2 298.431 0.347 20 0 CCADLP CC(C)[C@@H](CNC(=O)NC[C@H]1CC[N@H+]1C)[NH+]1CCOCC1 ZINC000913992667 614095731 /nfs/dbraw/zinc/09/57/31/614095731.db2.gz FWZDJPCNZMFWGJ-ZIAGYGMSSA-N 2 2 298.431 0.347 20 0 CCADLP CC(C)C[C@@H]([NH3+])C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000040770562 614192781 /nfs/dbraw/zinc/19/27/81/614192781.db2.gz QQVQKNFNWDSGRY-HUUCEWRRSA-N 2 2 298.475 0.748 20 0 CCADLP CC(=O)OC1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000809965615 614215602 /nfs/dbraw/zinc/21/56/02/614215602.db2.gz IWPBBXRFPJBILM-ZDUSSCGKSA-N 2 2 270.373 0.469 20 0 CCADLP CC(=O)OC1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000809965615 614215603 /nfs/dbraw/zinc/21/56/03/614215603.db2.gz IWPBBXRFPJBILM-ZDUSSCGKSA-N 2 2 270.373 0.469 20 0 CCADLP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000972727538 614274306 /nfs/dbraw/zinc/27/43/06/614274306.db2.gz DJTLMTJFTQVRDZ-GFCCVEGCSA-N 2 2 264.373 0.904 20 0 CCADLP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000972727538 614274309 /nfs/dbraw/zinc/27/43/09/614274309.db2.gz DJTLMTJFTQVRDZ-GFCCVEGCSA-N 2 2 264.373 0.904 20 0 CCADLP CC(C)[N@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972611959 614281851 /nfs/dbraw/zinc/28/18/51/614281851.db2.gz GZLTWFGRLJRSAL-NSHDSACASA-N 2 2 250.346 0.893 20 0 CCADLP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972611959 614281852 /nfs/dbraw/zinc/28/18/52/614281852.db2.gz GZLTWFGRLJRSAL-NSHDSACASA-N 2 2 250.346 0.893 20 0 CCADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC000843356155 614287217 /nfs/dbraw/zinc/28/72/17/614287217.db2.gz RZBKARGWMBVEAZ-AAEUAGOBSA-N 2 2 257.378 0.197 20 0 CCADLP CC(C)c1[nH+]ccn1CCNC(=O)c1ncoc1C[NH3+] ZINC000884196739 614328518 /nfs/dbraw/zinc/32/85/18/614328518.db2.gz ZSNFDORBDNTJRR-UHFFFAOYSA-N 2 2 277.328 0.883 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000825525873 614345323 /nfs/dbraw/zinc/34/53/23/614345323.db2.gz BXLCLWHAHWBAIG-VXGBXAGGSA-N 2 2 280.372 0.443 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000825525873 614345324 /nfs/dbraw/zinc/34/53/24/614345324.db2.gz BXLCLWHAHWBAIG-VXGBXAGGSA-N 2 2 280.372 0.443 20 0 CCADLP CCCn1cc(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)nn1 ZINC000865449624 614531979 /nfs/dbraw/zinc/53/19/79/614531979.db2.gz CNOLYJXFKFYBHW-ZDUSSCGKSA-N 2 2 280.420 0.414 20 0 CCADLP CC1(C)CC[N@H+](CC[NH2+]C2CCN(C=O)CC2)C1 ZINC000898034918 614545666 /nfs/dbraw/zinc/54/56/66/614545666.db2.gz BXOGZEYZVSBDKI-UHFFFAOYSA-N 2 2 253.390 0.929 20 0 CCADLP CC1(C)CC[N@@H+](CC[NH2+]C2CCN(C=O)CC2)C1 ZINC000898034918 614545668 /nfs/dbraw/zinc/54/56/68/614545668.db2.gz BXOGZEYZVSBDKI-UHFFFAOYSA-N 2 2 253.390 0.929 20 0 CCADLP CCN(C(=O)NCc1c[nH+]cn1C)[C@H]1CC[N@H+](C)C1 ZINC000854066966 614602638 /nfs/dbraw/zinc/60/26/38/614602638.db2.gz LNXVVYAIYWLZPF-NSHDSACASA-N 2 2 265.361 0.656 20 0 CCADLP CCN(C(=O)NCc1c[nH+]cn1C)[C@H]1CC[N@@H+](C)C1 ZINC000854066966 614602642 /nfs/dbraw/zinc/60/26/42/614602642.db2.gz LNXVVYAIYWLZPF-NSHDSACASA-N 2 2 265.361 0.656 20 0 CCADLP CCC[NH+]1CC(N2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC000941586444 614604243 /nfs/dbraw/zinc/60/42/43/614604243.db2.gz WBCFJWQIADCKAC-UHFFFAOYSA-N 2 2 291.399 0.191 20 0 CCADLP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1C[NH+](CCCO)C1 ZINC000950627647 614617337 /nfs/dbraw/zinc/61/73/37/614617337.db2.gz HFFIUPAPOHTUDV-AWEZNQCLSA-N 2 2 283.416 0.386 20 0 CCADLP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C1C[NH+](CCCO)C1 ZINC000950627647 614617338 /nfs/dbraw/zinc/61/73/38/614617338.db2.gz HFFIUPAPOHTUDV-AWEZNQCLSA-N 2 2 283.416 0.386 20 0 CCADLP CCC[NH+]1CCC(NC(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000864579294 614620129 /nfs/dbraw/zinc/62/01/29/614620129.db2.gz UOZQYUAPMSQDPI-ARJAWSKDSA-N 2 2 295.427 0.865 20 0 CCADLP CC1(C)C[N@H+](CCc2ccc(C(N)=O)cc2)C[C@@H]1[NH3+] ZINC000903559794 614669166 /nfs/dbraw/zinc/66/91/66/614669166.db2.gz HYXXOKZMKJVNII-ZDUSSCGKSA-N 2 2 261.369 0.997 20 0 CCADLP CC1(C)C[N@@H+](CCc2ccc(C(N)=O)cc2)C[C@@H]1[NH3+] ZINC000903559794 614669167 /nfs/dbraw/zinc/66/91/67/614669167.db2.gz HYXXOKZMKJVNII-ZDUSSCGKSA-N 2 2 261.369 0.997 20 0 CCADLP CCN(C(=O)[C@H]1CCCC[N@@H+]1C)C1C[NH+](CCOC)C1 ZINC000950628312 614669263 /nfs/dbraw/zinc/66/92/63/614669263.db2.gz UEFIUVCHIRTMLQ-CQSZACIVSA-N 2 2 283.416 0.650 20 0 CCADLP CCN(C(=O)[C@H]1CCCC[N@H+]1C)C1C[NH+](CCOC)C1 ZINC000950628312 614669267 /nfs/dbraw/zinc/66/92/67/614669267.db2.gz UEFIUVCHIRTMLQ-CQSZACIVSA-N 2 2 283.416 0.650 20 0 CCADLP CCC1(CC)CNC(=O)[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000933289519 614688263 /nfs/dbraw/zinc/68/82/63/614688263.db2.gz OHDUCWSTZZJUPB-LLVKDONJSA-N 2 2 250.346 0.778 20 0 CCADLP CCC[N@@H+]1CC[C@@H](N2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)C1 ZINC000925358288 614707183 /nfs/dbraw/zinc/70/71/83/614707183.db2.gz IIEHDIJWTRFMCF-NEPJUHHUSA-N 2 2 291.355 0.357 20 0 CCADLP CCC[N@H+]1CC[C@@H](N2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)C1 ZINC000925358288 614707186 /nfs/dbraw/zinc/70/71/86/614707186.db2.gz IIEHDIJWTRFMCF-NEPJUHHUSA-N 2 2 291.355 0.357 20 0 CCADLP CCC[N@@H+]1CC[C@@H](N2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)C1 ZINC000925358288 614707190 /nfs/dbraw/zinc/70/71/90/614707190.db2.gz IIEHDIJWTRFMCF-NEPJUHHUSA-N 2 2 291.355 0.357 20 0 CCADLP CCC[N@H+]1CC[C@@H](N2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)C1 ZINC000925358288 614707191 /nfs/dbraw/zinc/70/71/91/614707191.db2.gz IIEHDIJWTRFMCF-NEPJUHHUSA-N 2 2 291.355 0.357 20 0 CCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000925708838 614807421 /nfs/dbraw/zinc/80/74/21/614807421.db2.gz OEZAWCOEGNUACM-NRXISQOPSA-N 3 2 280.460 0.933 20 0 CCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC000902500931 614808070 /nfs/dbraw/zinc/80/80/70/614808070.db2.gz NZTZZPMHDVMMQS-QWRGUYRKSA-N 2 2 277.372 0.491 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000846803629 614866176 /nfs/dbraw/zinc/86/61/76/614866176.db2.gz DSLSAEMFABMDGG-CABCVRRESA-N 2 2 297.443 0.776 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000846803629 614866180 /nfs/dbraw/zinc/86/61/80/614866180.db2.gz DSLSAEMFABMDGG-CABCVRRESA-N 2 2 297.443 0.776 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000846803629 614866183 /nfs/dbraw/zinc/86/61/83/614866183.db2.gz DSLSAEMFABMDGG-CABCVRRESA-N 2 2 297.443 0.776 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000846803629 614866185 /nfs/dbraw/zinc/86/61/85/614866185.db2.gz DSLSAEMFABMDGG-CABCVRRESA-N 2 2 297.443 0.776 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](CC1CC1)[C@@H](C(N)=O)C1CC1 ZINC000879487417 614866245 /nfs/dbraw/zinc/86/62/45/614866245.db2.gz WIZRHBQCIKBJHE-UONOGXRCSA-N 2 2 283.416 0.275 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](CC1CC1)[C@@H](C(N)=O)C1CC1 ZINC000879487417 614866248 /nfs/dbraw/zinc/86/62/48/614866248.db2.gz WIZRHBQCIKBJHE-UONOGXRCSA-N 2 2 283.416 0.275 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](CC1CC1)[C@@H](C(N)=O)C1CC1 ZINC000879487417 614866250 /nfs/dbraw/zinc/86/62/50/614866250.db2.gz WIZRHBQCIKBJHE-UONOGXRCSA-N 2 2 283.416 0.275 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](CC1CC1)[C@@H](C(N)=O)C1CC1 ZINC000879487417 614866253 /nfs/dbraw/zinc/86/62/53/614866253.db2.gz WIZRHBQCIKBJHE-UONOGXRCSA-N 2 2 283.416 0.275 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1C(=O)NCC1(CC)CC ZINC000933284276 614868050 /nfs/dbraw/zinc/86/80/50/614868050.db2.gz GCDJFBDVSXWYMX-VXGBXAGGSA-N 2 2 271.405 0.193 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1C(=O)NCC1(CC)CC ZINC000933284276 614868052 /nfs/dbraw/zinc/86/80/52/614868052.db2.gz GCDJFBDVSXWYMX-VXGBXAGGSA-N 2 2 271.405 0.193 20 0 CCADLP CC[N@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC000960979001 614871995 /nfs/dbraw/zinc/87/19/95/614871995.db2.gz NAOVUQFJLNGKNP-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP CC[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC000960979001 614871996 /nfs/dbraw/zinc/87/19/96/614871996.db2.gz NAOVUQFJLNGKNP-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900926534 614998780 /nfs/dbraw/zinc/99/87/80/614998780.db2.gz RURILVBSHQPMKC-CQSZACIVSA-N 2 2 294.399 0.912 20 0 CCADLP CC[N@H+](CCS(C)(=O)=O)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903755750 615058990 /nfs/dbraw/zinc/05/89/90/615058990.db2.gz LFXVLWCUYGLZDD-QWHCGFSZSA-N 2 2 290.429 0.122 20 0 CCADLP CC[N@@H+](CCS(C)(=O)=O)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903755750 615058992 /nfs/dbraw/zinc/05/89/92/615058992.db2.gz LFXVLWCUYGLZDD-QWHCGFSZSA-N 2 2 290.429 0.122 20 0 CCADLP CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC000979356160 615109754 /nfs/dbraw/zinc/10/97/54/615109754.db2.gz YCOARRHYQXJCPC-STQMWFEESA-N 2 2 280.372 0.499 20 0 CCADLP CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CCO1 ZINC000979280780 615129903 /nfs/dbraw/zinc/12/99/03/615129903.db2.gz QEHZQPYPBUDBGS-NEPJUHHUSA-N 2 2 280.372 0.568 20 0 CCADLP CC[NH2+][C@H]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000981417489 615132719 /nfs/dbraw/zinc/13/27/19/615132719.db2.gz LMGABYSNAZTPGW-WDEREUQCSA-N 2 2 250.346 0.989 20 0 CCADLP CC[N@@H+]1CCN(C(=O)/C=C(\C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC000908136259 615147766 /nfs/dbraw/zinc/14/77/66/615147766.db2.gz BNFNMEVCYWWRMH-ATGUSINASA-N 2 2 295.427 0.818 20 0 CCADLP CC[N@H+]1CCN(C(=O)/C=C(\C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC000908136259 615147767 /nfs/dbraw/zinc/14/77/67/615147767.db2.gz BNFNMEVCYWWRMH-ATGUSINASA-N 2 2 295.427 0.818 20 0 CCADLP CC[N@@H+]1CCN(C(=O)/C=C(/C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000901197797 615147933 /nfs/dbraw/zinc/14/79/33/615147933.db2.gz DWXHUFWCEKRYMK-SZGZABIGSA-N 2 2 295.427 0.818 20 0 CCADLP CC[N@H+]1CCN(C(=O)/C=C(/C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000901197797 615147934 /nfs/dbraw/zinc/14/79/34/615147934.db2.gz DWXHUFWCEKRYMK-SZGZABIGSA-N 2 2 295.427 0.818 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CCCF)CC1 ZINC000887137818 615152204 /nfs/dbraw/zinc/15/22/04/615152204.db2.gz UDEYHSIYDSLWNA-LBPRGKRZSA-N 2 2 259.369 0.830 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CCCF)CC1 ZINC000887137818 615152205 /nfs/dbraw/zinc/15/22/05/615152205.db2.gz UDEYHSIYDSLWNA-LBPRGKRZSA-N 2 2 259.369 0.830 20 0 CCADLP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2c[nH]cn2)CC1 ZINC000894176379 615161682 /nfs/dbraw/zinc/16/16/82/615161682.db2.gz RMCODOJRHFGKMM-LBPRGKRZSA-N 2 2 251.378 0.525 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000943176320 615213361 /nfs/dbraw/zinc/21/33/61/615213361.db2.gz JWVDPLLLOBTWPX-CMPLNLGQSA-N 2 2 250.346 0.799 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000943176320 615213363 /nfs/dbraw/zinc/21/33/63/615213363.db2.gz JWVDPLLLOBTWPX-CMPLNLGQSA-N 2 2 250.346 0.799 20 0 CCADLP CCOC(=O)N1CCC([C@H](C)[NH2+][C@H]2C[NH2+]CCOC2)CC1 ZINC000925644334 615226436 /nfs/dbraw/zinc/22/64/36/615226436.db2.gz LQLJGEAKYIZYAO-JSGCOSHPSA-N 2 2 299.415 0.821 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNc1cc[nH+]c(N2CCOCC2)n1 ZINC000882960417 615260132 /nfs/dbraw/zinc/26/01/32/615260132.db2.gz JEWXMJZSLZQPPL-GFCCVEGCSA-N 2 2 277.372 0.819 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNc1cc[nH+]c(N2CCOCC2)n1 ZINC000882960417 615260135 /nfs/dbraw/zinc/26/01/35/615260135.db2.gz JEWXMJZSLZQPPL-GFCCVEGCSA-N 2 2 277.372 0.819 20 0 CCADLP CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968702903 615261146 /nfs/dbraw/zinc/26/11/46/615261146.db2.gz QGKFZQZUVYPCRO-RYUDHWBXSA-N 2 2 250.346 0.730 20 0 CCADLP CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968702903 615261147 /nfs/dbraw/zinc/26/11/47/615261147.db2.gz QGKFZQZUVYPCRO-RYUDHWBXSA-N 2 2 250.346 0.730 20 0 CCADLP CC[N@@H+]1CC[C@H](CNC(=O)/C=C(/C)C[NH+]2CCOCC2)C1 ZINC000900307573 615271010 /nfs/dbraw/zinc/27/10/10/615271010.db2.gz MYQURTSSQRBJIT-BAAYTWLHSA-N 2 2 295.427 0.723 20 0 CCADLP CC[N@H+]1CC[C@H](CNC(=O)/C=C(/C)C[NH+]2CCOCC2)C1 ZINC000900307573 615271013 /nfs/dbraw/zinc/27/10/13/615271013.db2.gz MYQURTSSQRBJIT-BAAYTWLHSA-N 2 2 295.427 0.723 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000882488793 615322117 /nfs/dbraw/zinc/32/21/17/615322117.db2.gz IQIASOVZVXQUPJ-NEPJUHHUSA-N 2 2 271.430 0.634 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000882488793 615322118 /nfs/dbraw/zinc/32/21/18/615322118.db2.gz IQIASOVZVXQUPJ-NEPJUHHUSA-N 2 2 271.430 0.634 20 0 CCADLP CCS(=O)(=O)NCCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879577888 615344339 /nfs/dbraw/zinc/34/43/39/615344339.db2.gz NRKKDADXDPFJDN-QWHCGFSZSA-N 2 2 289.445 0.342 20 0 CCADLP CCS(=O)(=O)NCCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879577888 615344340 /nfs/dbraw/zinc/34/43/40/615344340.db2.gz NRKKDADXDPFJDN-QWHCGFSZSA-N 2 2 289.445 0.342 20 0 CCADLP CCS(=O)(=O)NCCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879577888 615344342 /nfs/dbraw/zinc/34/43/42/615344342.db2.gz NRKKDADXDPFJDN-QWHCGFSZSA-N 2 2 289.445 0.342 20 0 CCADLP CCS(=O)(=O)NCCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879577888 615344344 /nfs/dbraw/zinc/34/43/44/615344344.db2.gz NRKKDADXDPFJDN-QWHCGFSZSA-N 2 2 289.445 0.342 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)C[C@H]2CCC(=O)N2)C1 ZINC000925928966 615402041 /nfs/dbraw/zinc/40/20/41/615402041.db2.gz GUWVUGILNOXYKQ-WUHRBBMRSA-N 2 2 253.390 0.973 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)C[C@H]2CCC(=O)N2)C1 ZINC000925928966 615402044 /nfs/dbraw/zinc/40/20/44/615402044.db2.gz GUWVUGILNOXYKQ-WUHRBBMRSA-N 2 2 253.390 0.973 20 0 CCADLP CC[C@@H](C(N)=O)[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903506517 615402555 /nfs/dbraw/zinc/40/25/55/615402555.db2.gz AGOZXEBEENHWGQ-MJBXVCDLSA-N 2 2 280.416 0.151 20 0 CCADLP CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903506517 615402556 /nfs/dbraw/zinc/40/25/56/615402556.db2.gz AGOZXEBEENHWGQ-MJBXVCDLSA-N 2 2 280.416 0.151 20 0 CCADLP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000960643231 615439126 /nfs/dbraw/zinc/43/91/26/615439126.db2.gz AYRHDERXNMYVIW-NMKXLXIOSA-N 2 2 274.368 0.512 20 0 CCADLP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000960643231 615439128 /nfs/dbraw/zinc/43/91/28/615439128.db2.gz AYRHDERXNMYVIW-NMKXLXIOSA-N 2 2 274.368 0.512 20 0 CCADLP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC000962269239 615442462 /nfs/dbraw/zinc/44/24/62/615442462.db2.gz BHDPMQXMQDUTNN-NHAGDIPZSA-N 2 2 297.362 0.947 20 0 CCADLP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC000962269239 615442464 /nfs/dbraw/zinc/44/24/64/615442464.db2.gz BHDPMQXMQDUTNN-NHAGDIPZSA-N 2 2 297.362 0.947 20 0 CCADLP CC[C@@H](C)NC(=O)CN1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903455082 615459155 /nfs/dbraw/zinc/45/91/55/615459155.db2.gz PLOHQBAOXDXYEP-KFWWJZLASA-N 2 2 296.459 0.374 20 0 CCADLP CCO[C@H](CNC(=O)NCCCn1cc[nH+]c1)C[NH+](C)C ZINC000913836191 615481697 /nfs/dbraw/zinc/48/16/97/615481697.db2.gz KSRDISSRUQZDLP-CYBMUJFWSA-N 2 2 297.403 0.539 20 0 CCADLP CCO[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C[NH+](C)C ZINC000831714711 615482610 /nfs/dbraw/zinc/48/26/10/615482610.db2.gz XWGKKOLCVZZIGA-WCQYABFASA-N 2 2 282.388 0.671 20 0 CCADLP CCO[C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C[NH+](C)C ZINC000831714711 615482611 /nfs/dbraw/zinc/48/26/11/615482611.db2.gz XWGKKOLCVZZIGA-WCQYABFASA-N 2 2 282.388 0.671 20 0 CCADLP CCO[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[NH+](C)C ZINC000831708651 615482790 /nfs/dbraw/zinc/48/27/90/615482790.db2.gz SWNDIZYGAVKWNG-IJLUTSLNSA-N 2 2 280.372 0.596 20 0 CCADLP CCO[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[NH+](C)C ZINC000831708651 615482791 /nfs/dbraw/zinc/48/27/91/615482791.db2.gz SWNDIZYGAVKWNG-IJLUTSLNSA-N 2 2 280.372 0.596 20 0 CCADLP CCO[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C[NH+](C)C ZINC000831719335 615482822 /nfs/dbraw/zinc/48/28/22/615482822.db2.gz RDRAQXAQNMUDCG-TZMCWYRMSA-N 2 2 294.399 0.528 20 0 CCADLP CCO[C@H](C[NH2+]C[C@H](O)CSC)C[NH+](C)C ZINC000905577812 615483921 /nfs/dbraw/zinc/48/39/21/615483921.db2.gz BSVUXEWCEZVFGB-WDEREUQCSA-N 2 2 250.408 0.267 20 0 CCADLP CC[C@@H](CO)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000930072578 615487796 /nfs/dbraw/zinc/48/77/96/615487796.db2.gz SIJNBUYPQWYAHV-WCQYABFASA-N 2 2 269.389 0.171 20 0 CCADLP CC[C@@H](CO)[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000930072578 615487798 /nfs/dbraw/zinc/48/77/98/615487798.db2.gz SIJNBUYPQWYAHV-WCQYABFASA-N 2 2 269.389 0.171 20 0 CCADLP CC[C@@H](CO)Nc1cc(NC[C@H]2CC[N@@H+]2C)nc[nH+]1 ZINC000895767665 615491668 /nfs/dbraw/zinc/49/16/68/615491668.db2.gz PCFDGOXOSZSBSL-WDEREUQCSA-N 2 2 265.361 0.775 20 0 CCADLP CC[C@@H](CO)Nc1cc(NC[C@H]2CC[N@H+]2C)nc[nH+]1 ZINC000895767665 615491669 /nfs/dbraw/zinc/49/16/69/615491669.db2.gz PCFDGOXOSZSBSL-WDEREUQCSA-N 2 2 265.361 0.775 20 0 CCADLP CC[C@H](C(=O)N1CC[C@H]([NH3+])C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911730943 615564838 /nfs/dbraw/zinc/56/48/38/615564838.db2.gz RBMLLBLAEFDAMV-YNEHKIRRSA-N 2 2 269.389 0.435 20 0 CCADLP CC[C@H](C(=O)N1CC[C@H]([NH3+])C1)[N@H+]1CCO[C@H](CC)C1 ZINC000911730943 615564839 /nfs/dbraw/zinc/56/48/39/615564839.db2.gz RBMLLBLAEFDAMV-YNEHKIRRSA-N 2 2 269.389 0.435 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000877433583 615569081 /nfs/dbraw/zinc/56/90/81/615569081.db2.gz XKHROBUYROQKQJ-TZMCWYRMSA-N 2 2 269.389 0.213 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000877433583 615569082 /nfs/dbraw/zinc/56/90/82/615569082.db2.gz XKHROBUYROQKQJ-TZMCWYRMSA-N 2 2 269.389 0.213 20 0 CCADLP CCn1nc(C)c(C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)n1 ZINC000931441863 615654458 /nfs/dbraw/zinc/65/44/58/615654458.db2.gz OTIPVWORBTXGOM-QWHCGFSZSA-N 2 2 263.389 0.990 20 0 CCADLP CCn1nc(C)c(C[N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)n1 ZINC000931441863 615654459 /nfs/dbraw/zinc/65/44/59/615654459.db2.gz OTIPVWORBTXGOM-QWHCGFSZSA-N 2 2 263.389 0.990 20 0 CCADLP CCn1nc(C)c(C[NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)n1 ZINC000931441863 615654460 /nfs/dbraw/zinc/65/44/60/615654460.db2.gz OTIPVWORBTXGOM-QWHCGFSZSA-N 2 2 263.389 0.990 20 0 CCADLP CCn1nc(C)c(C[NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)n1 ZINC000931441863 615654461 /nfs/dbraw/zinc/65/44/61/615654461.db2.gz OTIPVWORBTXGOM-QWHCGFSZSA-N 2 2 263.389 0.990 20 0 CCADLP CCn1nc(C)c([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)n1 ZINC000924963815 615669415 /nfs/dbraw/zinc/66/94/15/615669415.db2.gz GTCRHJLCZSDZEW-OLZOCXBDSA-N 2 2 294.447 0.893 20 0 CCADLP CC[C@H](CO)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000930072577 615732678 /nfs/dbraw/zinc/73/26/78/615732678.db2.gz SIJNBUYPQWYAHV-DGCLKSJQSA-N 2 2 269.389 0.171 20 0 CCADLP CC[C@H](CO)[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000930072577 615732681 /nfs/dbraw/zinc/73/26/81/615732681.db2.gz SIJNBUYPQWYAHV-DGCLKSJQSA-N 2 2 269.389 0.171 20 0 CCADLP CC[C@H](CO)Nc1cc(N(C)CC2C[NH+](C)C2)nc[nH+]1 ZINC000894541221 615738116 /nfs/dbraw/zinc/73/81/16/615738116.db2.gz VLBVSDBLMIJZPR-GFCCVEGCSA-N 2 2 279.388 0.657 20 0 CCADLP C[NH+](C)C1(C)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000913390079 615845556 /nfs/dbraw/zinc/84/55/56/615845556.db2.gz LKYNQCDRWACXAG-UHFFFAOYSA-N 2 2 250.346 0.826 20 0 CCADLP C[NH+](C)C1(C)CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000931350162 615846333 /nfs/dbraw/zinc/84/63/33/615846333.db2.gz VEUUEQFCWPZIBU-UHFFFAOYSA-N 2 2 267.373 0.552 20 0 CCADLP CN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)C(C)(C)C[NH+]1CCCC1 ZINC000868899069 615847427 /nfs/dbraw/zinc/84/74/27/615847427.db2.gz GLZXFXCSFTUZIZ-LBPRGKRZSA-N 2 2 280.372 0.776 20 0 CCADLP CC[C@H]1C(=O)NCCC[N@H+]1CCc1c[nH+]cn1C ZINC000933230670 615873658 /nfs/dbraw/zinc/87/36/58/615873658.db2.gz JBHOAWUEVVUKNO-LBPRGKRZSA-N 2 2 250.346 0.563 20 0 CCADLP CC[C@H]1C(=O)NCCC[N@@H+]1CCc1c[nH+]cn1C ZINC000933230670 615873660 /nfs/dbraw/zinc/87/36/60/615873660.db2.gz JBHOAWUEVVUKNO-LBPRGKRZSA-N 2 2 250.346 0.563 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N1CCCC1 ZINC000853825335 615879416 /nfs/dbraw/zinc/87/94/16/615879416.db2.gz KERMDKFURKZXLR-UHFFFAOYSA-N 2 2 256.394 0.675 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N1CCCC1 ZINC000853825335 615879418 /nfs/dbraw/zinc/87/94/18/615879418.db2.gz KERMDKFURKZXLR-UHFFFAOYSA-N 2 2 256.394 0.675 20 0 CCADLP C[NH+](C)CCONC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000854945311 615908261 /nfs/dbraw/zinc/90/82/61/615908261.db2.gz FYVUVMXEYBZTJY-SNVBAGLBSA-N 2 2 252.318 0.055 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000874706672 615926838 /nfs/dbraw/zinc/92/68/38/615926838.db2.gz VLRBTDJJUGAPIZ-ZFWWWQNUSA-N 2 2 295.427 0.840 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000874706672 615926840 /nfs/dbraw/zinc/92/68/40/615926840.db2.gz VLRBTDJJUGAPIZ-ZFWWWQNUSA-N 2 2 295.427 0.840 20 0 CCADLP CC[C@H]1COCC[NH+]1CCNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000874706672 615926841 /nfs/dbraw/zinc/92/68/41/615926841.db2.gz VLRBTDJJUGAPIZ-ZFWWWQNUSA-N 2 2 295.427 0.840 20 0 CCADLP CC[C@H]1COCC[NH+]1CCNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000874706672 615926844 /nfs/dbraw/zinc/92/68/44/615926844.db2.gz VLRBTDJJUGAPIZ-ZFWWWQNUSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000825856658 615951455 /nfs/dbraw/zinc/95/14/55/615951455.db2.gz ZVYUUYPTUWEEPV-GFCCVEGCSA-N 2 2 296.400 0.330 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@@](C)(O)C(F)F)C1 ZINC000886273874 615952466 /nfs/dbraw/zinc/95/24/66/615952466.db2.gz IENUYQHYEBYKSD-VXGBXAGGSA-N 2 2 266.332 0.391 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@@](C)(O)C(F)F)C1 ZINC000886273874 615952467 /nfs/dbraw/zinc/95/24/67/615952467.db2.gz IENUYQHYEBYKSD-VXGBXAGGSA-N 2 2 266.332 0.391 20 0 CCADLP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C)cn1 ZINC000928555866 615953972 /nfs/dbraw/zinc/95/39/72/615953972.db2.gz NZNXLWFHAUIRPJ-ZDUSSCGKSA-N 2 2 262.357 0.577 20 0 CCADLP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2C)cn1 ZINC000928555866 615953974 /nfs/dbraw/zinc/95/39/74/615953974.db2.gz NZNXLWFHAUIRPJ-ZDUSSCGKSA-N 2 2 262.357 0.577 20 0 CCADLP CC[C@](C)(O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932621035 615960682 /nfs/dbraw/zinc/96/06/82/615960682.db2.gz FANDEEWYLMMACK-WFASDCNBSA-N 2 2 283.416 0.432 20 0 CCADLP CC[C@](C)(O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932621035 615960684 /nfs/dbraw/zinc/96/06/84/615960684.db2.gz FANDEEWYLMMACK-WFASDCNBSA-N 2 2 283.416 0.432 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)/C=C\C[NH+]1CCOCC1)C1CC1 ZINC000864939649 615973624 /nfs/dbraw/zinc/97/36/24/615973624.db2.gz FGKJLQKUYMJVJT-NQHOJNORSA-N 2 2 281.400 0.331 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000957325801 615977766 /nfs/dbraw/zinc/97/77/66/615977766.db2.gz XSMXSELCDOEITP-UONOGXRCSA-N 2 2 283.416 0.243 20 0 CCADLP C[NH+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000907743273 615991470 /nfs/dbraw/zinc/99/14/70/615991470.db2.gz KVBSVKGEGZCXRS-LBPRGKRZSA-N 2 2 250.346 0.895 20 0 CCADLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900958088 615993265 /nfs/dbraw/zinc/99/32/65/615993265.db2.gz KVEGKIOEIOICSO-JQWIXIFHSA-N 2 2 250.346 0.941 20 0 CCADLP C[NH+](C)[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC000864069726 615995417 /nfs/dbraw/zinc/99/54/17/615995417.db2.gz HDIZKIUDZIIYFS-NEPJUHHUSA-N 2 2 262.357 0.941 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@H]21 ZINC000861909849 615996676 /nfs/dbraw/zinc/99/66/76/615996676.db2.gz RCBNHQXSTHRRPA-IMRBUKKESA-N 2 2 262.357 0.682 20 0 CCADLP C[NH+](C)[C@]1(C[NH2+][C@H]2CCO[C@@]23CCOC3)CCSC1 ZINC000903104890 615999598 /nfs/dbraw/zinc/99/95/98/615999598.db2.gz NFTGJLOORBXBPS-MELADBBJSA-N 2 2 286.441 0.961 20 0 CCADLP CC[S@@](=O)CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000848531971 616005997 /nfs/dbraw/zinc/00/59/97/616005997.db2.gz YMFVNNVIRVIJFI-IFXJQAMLSA-N 2 2 288.457 0.988 20 0 CCADLP CN(C)c1cc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)nc[nH+]1 ZINC000894621455 616007259 /nfs/dbraw/zinc/00/72/59/616007259.db2.gz ABAWMHLQXIAQMA-ZDUSSCGKSA-N 2 2 291.399 0.578 20 0 CCADLP CN(C)c1cc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)nc[nH+]1 ZINC000894621455 616007262 /nfs/dbraw/zinc/00/72/62/616007262.db2.gz ABAWMHLQXIAQMA-ZDUSSCGKSA-N 2 2 291.399 0.578 20 0 CCADLP C[N@@H+](CC(=O)N[C@H]1CCn2c[nH+]cc2C1)C1CCC1 ZINC000857962903 616049249 /nfs/dbraw/zinc/04/92/49/616049249.db2.gz NXMHXJIVMJHNNN-NSHDSACASA-N 2 2 262.357 0.798 20 0 CCADLP CN(CC[N@@H+]1CCC[C@]([NH3+])(CO)C1)c1ccccc1 ZINC000923479008 616087695 /nfs/dbraw/zinc/08/76/95/616087695.db2.gz VJOLLFXWOBHVHR-OAHLLOKOSA-N 2 2 263.385 0.908 20 0 CCADLP CN(CC[N@H+]1CCC[C@]([NH3+])(CO)C1)c1ccccc1 ZINC000923479008 616087697 /nfs/dbraw/zinc/08/76/97/616087697.db2.gz VJOLLFXWOBHVHR-OAHLLOKOSA-N 2 2 263.385 0.908 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)CCCCC[NH3+] ZINC000828414828 616089616 /nfs/dbraw/zinc/08/96/16/616089616.db2.gz GNFWJRKUHOTBKH-UHFFFAOYSA-N 2 2 257.378 0.296 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1Cc2ccccc2[C@H]1O)C1CC1 ZINC000905709713 616149973 /nfs/dbraw/zinc/14/99/73/616149973.db2.gz ZEPNWZNBWRLYHU-FVQBIDKESA-N 2 2 276.380 0.689 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1Cc2ccccc2[C@H]1O)C1CC1 ZINC000905709713 616149974 /nfs/dbraw/zinc/14/99/74/616149974.db2.gz ZEPNWZNBWRLYHU-FVQBIDKESA-N 2 2 276.380 0.689 20 0 CCADLP C[N@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C1(C[NH3+])CCC1 ZINC000903750304 616163198 /nfs/dbraw/zinc/16/31/98/616163198.db2.gz XDBMBEUUINCJPX-CHWSQXEVSA-N 3 2 253.390 0.568 20 0 CCADLP C[N@@H+](C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C1(C[NH3+])CCC1 ZINC000903750304 616163199 /nfs/dbraw/zinc/16/31/99/616163199.db2.gz XDBMBEUUINCJPX-CHWSQXEVSA-N 3 2 253.390 0.568 20 0 CCADLP C[NH+]1CCC(CC(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)CC1 ZINC000913450602 616167924 /nfs/dbraw/zinc/16/79/24/616167924.db2.gz CAABZTINQFANIV-CQSZACIVSA-N 2 2 291.399 0.615 20 0 CCADLP CN(C(=O)OC1COC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000902861791 616171904 /nfs/dbraw/zinc/17/19/04/616171904.db2.gz RSLYCWBARBSKRQ-CYBMUJFWSA-N 2 2 297.399 0.622 20 0 CCADLP CN(C(=O)OC1COC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000902861791 616171906 /nfs/dbraw/zinc/17/19/06/616171906.db2.gz RSLYCWBARBSKRQ-CYBMUJFWSA-N 2 2 297.399 0.622 20 0 CCADLP C[NH+]1CCC2(CC1)C[N@H+](CC[S@](C)=O)CCO2 ZINC000830652545 616177167 /nfs/dbraw/zinc/17/71/67/616177167.db2.gz PDNWEJWBLRVJEI-KRWDZBQOSA-N 2 2 260.403 0.162 20 0 CCADLP C[NH+]1CCC2(CC1)C[N@@H+](CC[S@](C)=O)CCO2 ZINC000830652545 616177168 /nfs/dbraw/zinc/17/71/68/616177168.db2.gz PDNWEJWBLRVJEI-KRWDZBQOSA-N 2 2 260.403 0.162 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000811891386 616190132 /nfs/dbraw/zinc/19/01/32/616190132.db2.gz BAQUMDSIPNIMEX-SNVBAGLBSA-N 2 2 251.334 0.314 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000811891386 616190133 /nfs/dbraw/zinc/19/01/33/616190133.db2.gz BAQUMDSIPNIMEX-SNVBAGLBSA-N 2 2 251.334 0.314 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC000967926451 616192258 /nfs/dbraw/zinc/19/22/58/616192258.db2.gz VQEMBQOIYMBYQV-ZYHUDNBSSA-N 2 2 295.412 0.323 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC000967926451 616192259 /nfs/dbraw/zinc/19/22/59/616192259.db2.gz VQEMBQOIYMBYQV-ZYHUDNBSSA-N 2 2 295.412 0.323 20 0 CCADLP C[N@@H+]1CCC[C@@H]2C[NH+](CN3C[C@@H]4C[C@@H]4C3=O)CC[C@@H]21 ZINC000902185046 616198141 /nfs/dbraw/zinc/19/81/41/616198141.db2.gz DKOHXPWXWDCHQO-RFGFWPKPSA-N 2 2 263.385 0.838 20 0 CCADLP C[N@H+]1CCC[C@@H]2C[NH+](CN3C[C@@H]4C[C@@H]4C3=O)CC[C@@H]21 ZINC000902185046 616198142 /nfs/dbraw/zinc/19/81/42/616198142.db2.gz DKOHXPWXWDCHQO-RFGFWPKPSA-N 2 2 263.385 0.838 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@H+](CN3C[C@@H]4C[C@@H]4C3=O)CC[C@@H]21 ZINC000902185046 616198143 /nfs/dbraw/zinc/19/81/43/616198143.db2.gz DKOHXPWXWDCHQO-RFGFWPKPSA-N 2 2 263.385 0.838 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@@H+](CN3C[C@@H]4C[C@@H]4C3=O)CC[C@@H]21 ZINC000902185046 616198144 /nfs/dbraw/zinc/19/81/44/616198144.db2.gz DKOHXPWXWDCHQO-RFGFWPKPSA-N 2 2 263.385 0.838 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000895291160 616198518 /nfs/dbraw/zinc/19/85/18/616198518.db2.gz IENVSEVSGVSRTO-UONOGXRCSA-N 2 2 291.399 0.841 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)c1 ZINC000895291160 616198519 /nfs/dbraw/zinc/19/85/19/616198519.db2.gz IENVSEVSGVSRTO-UONOGXRCSA-N 2 2 291.399 0.841 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000931622108 616199523 /nfs/dbraw/zinc/19/95/23/616199523.db2.gz OVBZGVICOJEQOB-BTFPBAQTSA-N 2 2 266.385 0.959 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000931622108 616199524 /nfs/dbraw/zinc/19/95/24/616199524.db2.gz OVBZGVICOJEQOB-BTFPBAQTSA-N 2 2 266.385 0.959 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000931622108 616199525 /nfs/dbraw/zinc/19/95/25/616199525.db2.gz OVBZGVICOJEQOB-BTFPBAQTSA-N 2 2 266.385 0.959 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000931622108 616199526 /nfs/dbraw/zinc/19/95/26/616199526.db2.gz OVBZGVICOJEQOB-BTFPBAQTSA-N 2 2 266.385 0.959 20 0 CCADLP CN(C(=O)N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCC[N@H+](C)C1 ZINC000894311056 616206065 /nfs/dbraw/zinc/20/60/65/616206065.db2.gz YGGZWMJPDYDREC-OLZOCXBDSA-N 2 2 291.399 0.934 20 0 CCADLP CN(C(=O)N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCC[N@@H+](C)C1 ZINC000894311056 616206066 /nfs/dbraw/zinc/20/60/66/616206066.db2.gz YGGZWMJPDYDREC-OLZOCXBDSA-N 2 2 291.399 0.934 20 0 CCADLP CN1CCC[C@H]([N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)C1=O ZINC000872148376 616206649 /nfs/dbraw/zinc/20/66/49/616206649.db2.gz DDIZSJYFXOCGOD-BBBLOLIVSA-N 2 2 279.306 0.676 20 0 CCADLP CN1CCC[C@H]([N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)C1=O ZINC000872148376 616206650 /nfs/dbraw/zinc/20/66/50/616206650.db2.gz DDIZSJYFXOCGOD-BBBLOLIVSA-N 2 2 279.306 0.676 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCOC23CCCC3)CC1 ZINC000934395537 616223723 /nfs/dbraw/zinc/22/37/23/616223723.db2.gz KESBKLYNEYYXRP-CYBMUJFWSA-N 2 2 281.400 0.452 20 0 CCADLP C[NH+]1CCN(CCCNC(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000040808804 616240846 /nfs/dbraw/zinc/24/08/46/616240846.db2.gz DQNMVNQNTUGUGK-HNNXBMFYSA-N 2 2 290.411 0.440 20 0 CCADLP CN1CC[NH+](CCCNC(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000040808804 616240847 /nfs/dbraw/zinc/24/08/47/616240847.db2.gz DQNMVNQNTUGUGK-HNNXBMFYSA-N 2 2 290.411 0.440 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)NC2[C@H]3C[NH+](C/C=C\Cl)C[C@@H]23)C1 ZINC000958474650 616258670 /nfs/dbraw/zinc/25/86/70/616258670.db2.gz OZLFMUPYSSXFHZ-BNJDSHOSSA-N 2 2 299.802 0.116 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)NC2[C@H]3C[NH+](C/C=C\Cl)C[C@@H]23)C1 ZINC000958474650 616258671 /nfs/dbraw/zinc/25/86/71/616258671.db2.gz OZLFMUPYSSXFHZ-BNJDSHOSSA-N 2 2 299.802 0.116 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)NC2[C@H]3C[N@H+](C/C=C\Cl)C[C@@H]23)C1 ZINC000958474650 616258672 /nfs/dbraw/zinc/25/86/72/616258672.db2.gz OZLFMUPYSSXFHZ-BNJDSHOSSA-N 2 2 299.802 0.116 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)NC2[C@H]3C[N@@H+](C/C=C\Cl)C[C@@H]23)C1 ZINC000958474650 616258673 /nfs/dbraw/zinc/25/86/73/616258673.db2.gz OZLFMUPYSSXFHZ-BNJDSHOSSA-N 2 2 299.802 0.116 20 0 CCADLP C[NH+](C)C1(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000922994940 616262928 /nfs/dbraw/zinc/26/29/28/616262928.db2.gz IKBPUDKZRNXMFN-STQMWFEESA-N 2 2 296.415 0.195 20 0 CCADLP C[NH+](C)C1(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000922994940 616262929 /nfs/dbraw/zinc/26/29/29/616262929.db2.gz IKBPUDKZRNXMFN-STQMWFEESA-N 2 2 296.415 0.195 20 0 CCADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCCCn1cc[nH+]c1 ZINC000900696117 616318709 /nfs/dbraw/zinc/31/87/09/616318709.db2.gz QOYBXRXUUBPGMW-JSGCOSHPSA-N 2 2 280.372 0.235 20 0 CCADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCCCn1cc[nH+]c1 ZINC000900696117 616318714 /nfs/dbraw/zinc/31/87/14/616318714.db2.gz QOYBXRXUUBPGMW-JSGCOSHPSA-N 2 2 280.372 0.235 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]2C1 ZINC000823030552 616323717 /nfs/dbraw/zinc/32/37/17/616323717.db2.gz XUHWDNLHOYWSRE-YVECIDJPSA-N 2 2 274.368 0.923 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]2C1 ZINC000823030552 616323724 /nfs/dbraw/zinc/32/37/24/616323724.db2.gz XUHWDNLHOYWSRE-YVECIDJPSA-N 2 2 274.368 0.923 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]2C1 ZINC000823030552 616323726 /nfs/dbraw/zinc/32/37/26/616323726.db2.gz XUHWDNLHOYWSRE-YVECIDJPSA-N 2 2 274.368 0.923 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]2C1 ZINC000823030552 616323731 /nfs/dbraw/zinc/32/37/31/616323731.db2.gz XUHWDNLHOYWSRE-YVECIDJPSA-N 2 2 274.368 0.923 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]CCC(=O)N(C)OC ZINC000819017891 616347869 /nfs/dbraw/zinc/34/78/69/616347869.db2.gz MYQMNQHVOMMLMS-GFCCVEGCSA-N 2 2 273.377 0.097 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]CCC(=O)N(C)OC ZINC000819017891 616347874 /nfs/dbraw/zinc/34/78/74/616347874.db2.gz MYQMNQHVOMMLMS-GFCCVEGCSA-N 2 2 273.377 0.097 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccnn2C2CCC2)C1 ZINC000922000161 616351250 /nfs/dbraw/zinc/35/12/50/616351250.db2.gz ZEZDZSPMXHXHMG-CQSZACIVSA-N 2 2 264.373 0.764 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccnn2C2CCC2)C1 ZINC000922000161 616351253 /nfs/dbraw/zinc/35/12/53/616351253.db2.gz ZEZDZSPMXHXHMG-CQSZACIVSA-N 2 2 264.373 0.764 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)c1 ZINC000895292035 616355672 /nfs/dbraw/zinc/35/56/72/616355672.db2.gz RJIROOZVSMZETF-AAEUAGOBSA-N 2 2 277.372 0.308 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)c1 ZINC000895292035 616355676 /nfs/dbraw/zinc/35/56/76/616355676.db2.gz RJIROOZVSMZETF-AAEUAGOBSA-N 2 2 277.372 0.308 20 0 CCADLP C[NH+]1C[C@@]2(C)C[NH+](CCN3CCOC3=O)C[C@]2(C)C1 ZINC000931305818 616395120 /nfs/dbraw/zinc/39/51/20/616395120.db2.gz HNHHKBOOVDRURT-KBPBESRZSA-N 2 2 267.373 0.712 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@@H](C)O1 ZINC000903769855 616395121 /nfs/dbraw/zinc/39/51/21/616395121.db2.gz PVQHWHOSWLPZIA-GUIRCDHDSA-N 2 2 298.383 0.017 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@@H](C)O1 ZINC000903769855 616395126 /nfs/dbraw/zinc/39/51/26/616395126.db2.gz PVQHWHOSWLPZIA-GUIRCDHDSA-N 2 2 298.383 0.017 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000943177789 616415528 /nfs/dbraw/zinc/41/55/28/616415528.db2.gz PWPMANZNLDTHDG-YPMHNXCESA-N 2 2 280.372 0.425 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000943177789 616415532 /nfs/dbraw/zinc/41/55/32/616415532.db2.gz PWPMANZNLDTHDG-YPMHNXCESA-N 2 2 280.372 0.425 20 0 CCADLP COC(=O)C1=NO[C@@]2(CC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC000879483549 616435931 /nfs/dbraw/zinc/43/59/31/616435931.db2.gz IXDNAKWSQASVFP-WFASDCNBSA-N 2 2 295.383 0.865 20 0 CCADLP COC(=O)C1=NO[C@@]2(CC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC000879483549 616435933 /nfs/dbraw/zinc/43/59/33/616435933.db2.gz IXDNAKWSQASVFP-WFASDCNBSA-N 2 2 295.383 0.865 20 0 CCADLP COC(=O)C1=NO[C@@]2(CC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000879483549 616435934 /nfs/dbraw/zinc/43/59/34/616435934.db2.gz IXDNAKWSQASVFP-WFASDCNBSA-N 2 2 295.383 0.865 20 0 CCADLP COC(=O)C1=NO[C@@]2(CC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC000879483549 616435937 /nfs/dbraw/zinc/43/59/37/616435937.db2.gz IXDNAKWSQASVFP-WFASDCNBSA-N 2 2 295.383 0.865 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827277313 616437280 /nfs/dbraw/zinc/43/72/80/616437280.db2.gz JULQHEDVWWIOPA-AAEUAGOBSA-N 2 2 262.357 0.515 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827277313 616437283 /nfs/dbraw/zinc/43/72/83/616437283.db2.gz JULQHEDVWWIOPA-AAEUAGOBSA-N 2 2 262.357 0.515 20 0 CCADLP COCC[N@H+]1[C@H](C)CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC000844019758 616474571 /nfs/dbraw/zinc/47/45/71/616474571.db2.gz PSWHEVWTKQENLA-OKILXGFUSA-N 2 2 294.399 0.841 20 0 CCADLP COCC[N@@H+]1[C@H](C)CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC000844019758 616474574 /nfs/dbraw/zinc/47/45/74/616474574.db2.gz PSWHEVWTKQENLA-OKILXGFUSA-N 2 2 294.399 0.841 20 0 CCADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000908084601 616477107 /nfs/dbraw/zinc/47/71/07/616477107.db2.gz GKFRNMKGLKWTNT-DOMZBBRYSA-N 2 2 292.383 0.291 20 0 CCADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000908084601 616477109 /nfs/dbraw/zinc/47/71/09/616477109.db2.gz GKFRNMKGLKWTNT-DOMZBBRYSA-N 2 2 292.383 0.291 20 0 CCADLP COC(=O)[C@@H]1[C@@H](C[NH2+]C[C@H](C)[NH+](C)C)C1(F)F ZINC000894392421 616505358 /nfs/dbraw/zinc/50/53/58/616505358.db2.gz NROFKARSGCAHFO-YIZRAAEISA-N 2 2 250.289 0.580 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000913280568 616513121 /nfs/dbraw/zinc/51/31/21/616513121.db2.gz FGMYGPNSNYTVKG-HUUCEWRRSA-N 2 2 276.384 0.763 20 0 CCADLP COC(=O)[C@@H]1[C@H](C[NH2+]CC[N@@H+]2CC[C@H](C)C2)C1(F)F ZINC000894392898 616514718 /nfs/dbraw/zinc/51/47/18/616514718.db2.gz DXBTYALWIDWOPO-DCAQKATOSA-N 2 2 276.327 0.972 20 0 CCADLP COC(=O)[C@@H]1[C@H](C[NH2+]CC[N@H+]2CC[C@H](C)C2)C1(F)F ZINC000894392898 616514721 /nfs/dbraw/zinc/51/47/21/616514721.db2.gz DXBTYALWIDWOPO-DCAQKATOSA-N 2 2 276.327 0.972 20 0 CCADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cnc(C[NH3+])nc1 ZINC000877247627 616519652 /nfs/dbraw/zinc/51/96/52/616519652.db2.gz SGRVLAZCZQAPEH-CQSZACIVSA-N 2 2 297.362 0.852 20 0 CCADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cnc(C[NH3+])nc1 ZINC000877247627 616519653 /nfs/dbraw/zinc/51/96/53/616519653.db2.gz SGRVLAZCZQAPEH-CQSZACIVSA-N 2 2 297.362 0.852 20 0 CCADLP COC(=O)CCCc1nc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)no1 ZINC000923482040 616541370 /nfs/dbraw/zinc/54/13/70/616541370.db2.gz BWPDFZZUGHMVFI-LLVKDONJSA-N 2 2 296.371 0.736 20 0 CCADLP COC(=O)CCCc1nc(C[N@H+]2CC[C@@H](CC[NH3+])C2)no1 ZINC000923482040 616541373 /nfs/dbraw/zinc/54/13/73/616541373.db2.gz BWPDFZZUGHMVFI-LLVKDONJSA-N 2 2 296.371 0.736 20 0 CCADLP COC(=O)[C@]12C[N@H+](C[C@H]([NH3+])CC(F)F)C[C@H]1COCC2 ZINC000903915795 616568619 /nfs/dbraw/zinc/56/86/19/616568619.db2.gz CAPGQIJRPSXZHR-OPQQBVKSSA-N 2 2 292.326 0.480 20 0 CCADLP COC(=O)[C@]12C[N@@H+](C[C@H]([NH3+])CC(F)F)C[C@H]1COCC2 ZINC000903915795 616568624 /nfs/dbraw/zinc/56/86/24/616568624.db2.gz CAPGQIJRPSXZHR-OPQQBVKSSA-N 2 2 292.326 0.480 20 0 CCADLP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923534034 616584474 /nfs/dbraw/zinc/58/44/74/616584474.db2.gz QVUDXODVTIWAHW-HNNXBMFYSA-N 2 2 297.399 0.226 20 0 CCADLP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923534034 616584477 /nfs/dbraw/zinc/58/44/77/616584477.db2.gz QVUDXODVTIWAHW-HNNXBMFYSA-N 2 2 297.399 0.226 20 0 CCADLP COCCS(=O)(=O)CCC[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000843383308 616603957 /nfs/dbraw/zinc/60/39/57/616603957.db2.gz FBKRBNDIGWBKAC-CYBMUJFWSA-N 2 2 292.445 0.641 20 0 CCADLP COCCS(=O)(=O)CCC[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000843383308 616603958 /nfs/dbraw/zinc/60/39/58/616603958.db2.gz FBKRBNDIGWBKAC-CYBMUJFWSA-N 2 2 292.445 0.641 20 0 CCADLP COCCS(=O)(=O)CCC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000843346037 616605247 /nfs/dbraw/zinc/60/52/47/616605247.db2.gz AFRDXXYNPVKDNL-GFCCVEGCSA-N 2 2 278.418 0.108 20 0 CCADLP COCCS(=O)(=O)CCC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000843346037 616605249 /nfs/dbraw/zinc/60/52/49/616605249.db2.gz AFRDXXYNPVKDNL-GFCCVEGCSA-N 2 2 278.418 0.108 20 0 CCADLP COCC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000884316687 616637840 /nfs/dbraw/zinc/63/78/40/616637840.db2.gz AAKITRMNKLZXDR-VXGBXAGGSA-N 2 2 278.356 0.140 20 0 CCADLP COC(=O)[C@](C)(Cn1cccn1)[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000904477425 616751144 /nfs/dbraw/zinc/75/11/44/616751144.db2.gz WFYXLEFMDTVRHE-NFAWXSAZSA-N 2 2 294.399 0.793 20 0 CCADLP COC(=O)c1cc(C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)on1 ZINC000931443390 616849582 /nfs/dbraw/zinc/84/95/82/616849582.db2.gz WGJBGYLMUXZTBB-WDEREUQCSA-N 2 2 279.340 0.845 20 0 CCADLP COC(=O)c1cc(C[N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)on1 ZINC000931443390 616849585 /nfs/dbraw/zinc/84/95/85/616849585.db2.gz WGJBGYLMUXZTBB-WDEREUQCSA-N 2 2 279.340 0.845 20 0 CCADLP COC(=O)c1cc(C[NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)on1 ZINC000931443390 616849588 /nfs/dbraw/zinc/84/95/88/616849588.db2.gz WGJBGYLMUXZTBB-WDEREUQCSA-N 2 2 279.340 0.845 20 0 CCADLP COC(=O)c1cc(C[NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)on1 ZINC000931443390 616849592 /nfs/dbraw/zinc/84/95/92/616849592.db2.gz WGJBGYLMUXZTBB-WDEREUQCSA-N 2 2 279.340 0.845 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000923365406 616967889 /nfs/dbraw/zinc/96/78/89/616967889.db2.gz VJWPZKXSGAIBLB-JYJNAYRXSA-N 3 2 299.459 0.390 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000923365406 616967894 /nfs/dbraw/zinc/96/78/94/616967894.db2.gz VJWPZKXSGAIBLB-JYJNAYRXSA-N 3 2 299.459 0.390 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000923365406 616967899 /nfs/dbraw/zinc/96/78/99/616967899.db2.gz VJWPZKXSGAIBLB-JYJNAYRXSA-N 3 2 299.459 0.390 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000923365406 616967901 /nfs/dbraw/zinc/96/79/01/616967901.db2.gz VJWPZKXSGAIBLB-JYJNAYRXSA-N 3 2 299.459 0.390 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H](C(F)(F)F)O[C@@H](C)C1 ZINC000872154585 617001482 /nfs/dbraw/zinc/00/14/82/617001482.db2.gz UGIDZJGSWMWSPL-DCAQKATOSA-N 2 2 284.322 0.999 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](C(F)(F)F)O[C@@H](C)C1 ZINC000872154585 617001486 /nfs/dbraw/zinc/00/14/86/617001486.db2.gz UGIDZJGSWMWSPL-DCAQKATOSA-N 2 2 284.322 0.999 20 0 CCADLP COCC[N@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@H](C)C(N)=O ZINC000873204495 617026940 /nfs/dbraw/zinc/02/69/40/617026940.db2.gz DRTCXVONAJXDHR-SNVBAGLBSA-N 2 2 297.424 0.716 20 0 CCADLP COCC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@H](C)C(N)=O ZINC000873204495 617026943 /nfs/dbraw/zinc/02/69/43/617026943.db2.gz DRTCXVONAJXDHR-SNVBAGLBSA-N 2 2 297.424 0.716 20 0 CCADLP C[NH2+][C@@H](CC(C)C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000884177391 617044844 /nfs/dbraw/zinc/04/48/44/617044844.db2.gz ILNIGXGARXCDHJ-ZDUSSCGKSA-N 2 2 285.432 0.848 20 0 CCADLP C[NH2+][C@@H](CC(C)C)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000884401575 617045669 /nfs/dbraw/zinc/04/56/69/617045669.db2.gz USHWMCULRRLLNK-RDBSUJKOSA-N 2 2 285.432 0.846 20 0 CCADLP C[NH2+][C@@H](CC(C)C)C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000884401575 617045673 /nfs/dbraw/zinc/04/56/73/617045673.db2.gz USHWMCULRRLLNK-RDBSUJKOSA-N 2 2 285.432 0.846 20 0 CCADLP CON(C)C(=O)[C@@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000877661333 617053566 /nfs/dbraw/zinc/05/35/66/617053566.db2.gz ZOENJSLNNUWISF-LLVKDONJSA-N 2 2 287.404 0.220 20 0 CCADLP CON1CC[C@@H]([N@H+](C)CCN(C)C2CC[NH+](C)CC2)C1=O ZINC000930115615 617092390 /nfs/dbraw/zinc/09/23/90/617092390.db2.gz WZSMOHRCDQOHIB-CQSZACIVSA-N 2 2 298.431 0.107 20 0 CCADLP CON1CC[C@@H]([N@@H+](C)CCN(C)C2CC[NH+](C)CC2)C1=O ZINC000930115615 617092392 /nfs/dbraw/zinc/09/23/92/617092392.db2.gz WZSMOHRCDQOHIB-CQSZACIVSA-N 2 2 298.431 0.107 20 0 CCADLP CON1CC[C@@H]([NH+]2CCC(n3cc[nH+]c3)CC2)C1=O ZINC000929803862 617092926 /nfs/dbraw/zinc/09/29/26/617092926.db2.gz PFNCPEHBWGGDSC-GFCCVEGCSA-N 2 2 264.329 0.682 20 0 CCADLP COc1c(C)c[nH+]c(CNC(=O)COCC[NH3+])c1C ZINC000827975057 617145403 /nfs/dbraw/zinc/14/54/03/617145403.db2.gz BZZSMQJQDCECGL-UHFFFAOYSA-N 2 2 267.329 0.299 20 0 CCADLP CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001026365875 625414597 /nfs/dbraw/zinc/41/45/97/625414597.db2.gz CHCZCNMDNDRMEP-CYZMBNFOSA-N 2 2 262.357 0.799 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC1CCC([NH2+]C[C@@H](C)O)CC1 ZINC001026598377 625479017 /nfs/dbraw/zinc/47/90/17/625479017.db2.gz DDLUZMKMWAGPFP-QFWMXSHPSA-N 2 2 294.399 0.658 20 0 CCADLP CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001023116091 622913995 /nfs/dbraw/zinc/91/39/95/622913995.db2.gz ADYPEQWAYIDYAX-QLFBSQMISA-N 2 2 295.427 0.744 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892570439 623549554 /nfs/dbraw/zinc/54/95/54/623549554.db2.gz NWDSUSGZEZXUIN-JHJVBQTASA-N 2 2 284.404 0.086 20 0 CCADLP CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001026898837 625656331 /nfs/dbraw/zinc/65/63/31/625656331.db2.gz UNVXPDOUEUCXBG-QJPTWQEYSA-N 2 2 262.357 0.971 20 0 CCADLP CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001026898837 625656342 /nfs/dbraw/zinc/65/63/42/625656342.db2.gz UNVXPDOUEUCXBG-QJPTWQEYSA-N 2 2 262.357 0.971 20 0 CCADLP COCC[NH+](CCOC)C[C@H](O)C[NH+]1CCCC1 ZINC000310934347 623603694 /nfs/dbraw/zinc/60/36/94/623603694.db2.gz JNNVPFAQDIFVDS-CYBMUJFWSA-N 2 2 260.378 0.038 20 0 CCADLP CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001026928293 625663418 /nfs/dbraw/zinc/66/34/18/625663418.db2.gz GTWXNJBWYKEXBO-OLZOCXBDSA-N 2 2 276.384 0.904 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCCC(C)(C)[NH3+] ZINC000892854415 623854648 /nfs/dbraw/zinc/85/46/48/623854648.db2.gz RZDODRGKZLTFDX-GFCCVEGCSA-N 2 2 286.420 0.476 20 0 CCADLP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+](CCF)C1 ZINC000969409320 624498071 /nfs/dbraw/zinc/49/80/71/624498071.db2.gz AJBFWDNNJHCEDI-ZYHUDNBSSA-N 2 2 257.353 0.487 20 0 CCADLP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1C[NH+](CCF)C1 ZINC000969409320 624498072 /nfs/dbraw/zinc/49/80/72/624498072.db2.gz AJBFWDNNJHCEDI-ZYHUDNBSSA-N 2 2 257.353 0.487 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@@H]([NH2+]C[C@H]2CCOC2)C1 ZINC000969523612 624514207 /nfs/dbraw/zinc/51/42/07/624514207.db2.gz GXHVFXNXVBNUGW-ZIAGYGMSSA-N 2 2 292.383 0.500 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001020571196 624530602 /nfs/dbraw/zinc/53/06/02/624530602.db2.gz FWLKDCVTDIEXJK-DDHJBXDOSA-N 2 2 292.383 0.447 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001020571195 624530654 /nfs/dbraw/zinc/53/06/54/624530654.db2.gz FWLKDCVTDIEXJK-BJDJZHNGSA-N 2 2 292.383 0.447 20 0 CCADLP C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1C[NH+](CCO)C1 ZINC000969969501 624566819 /nfs/dbraw/zinc/56/68/19/624566819.db2.gz CAXIOKCGKAJYNK-SNVBAGLBSA-N 2 2 288.351 0.605 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]C[C@H]2CCOC2)C1 ZINC000970105940 624605848 /nfs/dbraw/zinc/60/58/48/624605848.db2.gz XLUFLPJIWQEENB-VXGBXAGGSA-N 2 2 278.356 0.179 20 0 CCADLP C[C@H]1CC[C@@H](C[NH2+][C@H]2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)O1 ZINC001020819333 624606692 /nfs/dbraw/zinc/60/66/92/624606692.db2.gz UNLDLJKWDCRQDS-CYDGBPFRSA-N 2 2 292.383 0.757 20 0 CCADLP Cn1cc(C[NH2+][C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)cn1 ZINC001021126530 624662799 /nfs/dbraw/zinc/66/27/99/624662799.db2.gz QVIVCGKRZFFCNS-JOCQHMNTSA-N 2 2 288.355 0.054 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+]Cc2ccccn2)C1 ZINC000970341785 624678980 /nfs/dbraw/zinc/67/89/80/624678980.db2.gz SMWQGSPXRYXRJE-CYBMUJFWSA-N 2 2 285.351 0.738 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCCc2[nH+]c[nH]c21)C1C[NH+](CCO)C1 ZINC000970407627 624684366 /nfs/dbraw/zinc/68/43/66/624684366.db2.gz LSPCHWQEKJAOKW-JQWIXIFHSA-N 2 2 292.383 0.258 20 0 CCADLP COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000050247077 624803497 /nfs/dbraw/zinc/80/34/97/624803497.db2.gz DJBGNOWHNHATGS-NSHDSACASA-N 2 2 263.341 0.914 20 0 CCADLP COc1ccc(NC(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000050247077 624803500 /nfs/dbraw/zinc/80/35/00/624803500.db2.gz DJBGNOWHNHATGS-NSHDSACASA-N 2 2 263.341 0.914 20 0 CCADLP COc1ccccc1CNC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000050248554 624804054 /nfs/dbraw/zinc/80/40/54/624804054.db2.gz XOTLTJZKYFNYDK-GFCCVEGCSA-N 2 2 277.368 0.592 20 0 CCADLP COc1ccccc1CNC(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000050248554 624804055 /nfs/dbraw/zinc/80/40/55/624804055.db2.gz XOTLTJZKYFNYDK-GFCCVEGCSA-N 2 2 277.368 0.592 20 0 CCADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)NCc2ccccc2F)C1 ZINC000050248123 624804176 /nfs/dbraw/zinc/80/41/76/624804176.db2.gz DMSNCRFHCMXXBP-LLVKDONJSA-N 2 2 265.332 0.723 20 0 CCADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2F)C1 ZINC000050248123 624804177 /nfs/dbraw/zinc/80/41/77/624804177.db2.gz DMSNCRFHCMXXBP-LLVKDONJSA-N 2 2 265.332 0.723 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCc1cc(N)cc[nH+]1 ZINC000891350804 624822043 /nfs/dbraw/zinc/82/20/43/624822043.db2.gz VKQPFTRGWDEWFF-LLVKDONJSA-N 2 2 293.371 0.184 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000891350882 624822549 /nfs/dbraw/zinc/82/25/49/624822549.db2.gz WTACPJXUZKXCPW-KBPBESRZSA-N 2 2 298.431 0.620 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCCCCn1cc[nH+]c1 ZINC000891399465 624857207 /nfs/dbraw/zinc/85/72/07/624857207.db2.gz MYWQGBUMUVFZIA-VXGBXAGGSA-N 2 2 265.361 0.794 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000926175344 624879443 /nfs/dbraw/zinc/87/94/43/624879443.db2.gz XJMBYFLJXYFDEY-KKUMJFAQSA-N 2 2 267.417 0.660 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000926175344 624879444 /nfs/dbraw/zinc/87/94/44/624879444.db2.gz XJMBYFLJXYFDEY-KKUMJFAQSA-N 2 2 267.417 0.660 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001022311749 624921465 /nfs/dbraw/zinc/92/14/65/624921465.db2.gz XDJNDHQTSFQSBE-LPWJVIDDSA-N 2 2 292.383 0.063 20 0 CCADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891817728 624936487 /nfs/dbraw/zinc/93/64/87/624936487.db2.gz BHHYQBCLTQJQJC-TYNCELHUSA-N 2 2 289.383 0.782 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000891895104 624977717 /nfs/dbraw/zinc/97/77/17/624977717.db2.gz BQWNPQLDPZNADC-RDBSUJKOSA-N 2 2 296.415 0.053 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000891895104 624977747 /nfs/dbraw/zinc/97/77/47/624977747.db2.gz BQWNPQLDPZNADC-RDBSUJKOSA-N 2 2 296.415 0.053 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000891895879 624982548 /nfs/dbraw/zinc/98/25/48/624982548.db2.gz PWWYUMVJZGTGSL-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000891895879 624982591 /nfs/dbraw/zinc/98/25/91/624982591.db2.gz PWWYUMVJZGTGSL-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP OC[C@H]1CC[NH+]1CC(C[N@H+]1CC[C@@H]1CO)c1ccccc1 ZINC000934017078 625004378 /nfs/dbraw/zinc/00/43/78/625004378.db2.gz YEWANGWINUNTSX-IAGOWNOFSA-N 2 2 290.407 0.903 20 0 CCADLP OC[C@H]1CC[NH+]1CC(C[N@@H+]1CC[C@@H]1CO)c1ccccc1 ZINC000934017078 625004379 /nfs/dbraw/zinc/00/43/79/625004379.db2.gz YEWANGWINUNTSX-IAGOWNOFSA-N 2 2 290.407 0.903 20 0 CCADLP C[C@@H](CC(N)=O)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903385034 634557269 /nfs/dbraw/zinc/55/72/69/634557269.db2.gz VEXRAKZYSMCZIZ-AAEUAGOBSA-N 2 2 264.373 0.928 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@](C)(C(N)=O)c1ccccc1 ZINC000903459667 634564693 /nfs/dbraw/zinc/56/46/93/634564693.db2.gz WNIFXQHSCWCRMB-XUJVJEKNSA-N 2 2 261.369 0.832 20 0 CCADLP C[C@H](CN1CCOCC1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903472730 634573600 /nfs/dbraw/zinc/57/36/00/634573600.db2.gz VPWHKTGMDQRMJC-OLZOCXBDSA-N 2 2 253.390 0.581 20 0 CCADLP CS(=O)(=O)CC1(C[NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000903472246 634574299 /nfs/dbraw/zinc/57/42/99/634574299.db2.gz PWPLCPJPMOOISC-NSHDSACASA-N 2 2 272.414 0.685 20 0 CCADLP C[C@H]1C[N@H+](Cc2[nH]nc3c2COCC3)CC[C@@H]1[NH3+] ZINC000903716841 634628212 /nfs/dbraw/zinc/62/82/12/634628212.db2.gz URLITDZHNXGQIZ-ONGXEEELSA-N 2 2 250.346 0.652 20 0 CCADLP C[C@H]1C[N@@H+](Cc2[nH]nc3c2COCC3)CC[C@@H]1[NH3+] ZINC000903716841 634628219 /nfs/dbraw/zinc/62/82/19/634628219.db2.gz URLITDZHNXGQIZ-ONGXEEELSA-N 2 2 250.346 0.652 20 0 CCADLP [NH3+]C[C@H]1CCCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903713399 634634003 /nfs/dbraw/zinc/63/40/03/634634003.db2.gz PNGQIYZDTANBIO-KGLIPLIRSA-N 3 2 267.417 0.958 20 0 CCADLP [NH3+]C[C@H]1CCCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903713399 634634006 /nfs/dbraw/zinc/63/40/06/634634006.db2.gz PNGQIYZDTANBIO-KGLIPLIRSA-N 3 2 267.417 0.958 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000903803175 634655803 /nfs/dbraw/zinc/65/58/03/634655803.db2.gz WGJDWPZUTMLVSU-GZBFAFLISA-N 3 2 265.401 0.711 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000903803175 634655807 /nfs/dbraw/zinc/65/58/07/634655807.db2.gz WGJDWPZUTMLVSU-GZBFAFLISA-N 3 2 265.401 0.711 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000903804709 634655997 /nfs/dbraw/zinc/65/59/97/634655997.db2.gz HTOIWTHIPGXWJY-CAEXGNQWSA-N 2 2 266.385 0.994 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000903804709 634655999 /nfs/dbraw/zinc/65/59/99/634655999.db2.gz HTOIWTHIPGXWJY-CAEXGNQWSA-N 2 2 266.385 0.994 20 0 CCADLP C[C@H]1C[N@H+](CCN(C)C2(C[NH3+])CCOCC2)CCO1 ZINC000903809542 634656400 /nfs/dbraw/zinc/65/64/00/634656400.db2.gz CWAXOUOSZBBOKI-ZDUSSCGKSA-N 2 2 271.405 0.147 20 0 CCADLP C[C@H]1C[N@@H+](CCN(C)C2(C[NH3+])CCOCC2)CCO1 ZINC000903809542 634656412 /nfs/dbraw/zinc/65/64/12/634656412.db2.gz CWAXOUOSZBBOKI-ZDUSSCGKSA-N 2 2 271.405 0.147 20 0 CCADLP O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869941 634671995 /nfs/dbraw/zinc/67/19/95/634671995.db2.gz KZTZPKOLYXFHFK-RRFJBIMHSA-N 2 2 284.400 0.371 20 0 CCADLP O[C@H](COC[C@H]1CCCO1)C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869941 634672000 /nfs/dbraw/zinc/67/20/00/634672000.db2.gz KZTZPKOLYXFHFK-RRFJBIMHSA-N 2 2 284.400 0.371 20 0 CCADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCOCC2(C)C)cnn1C ZINC000903887155 634676888 /nfs/dbraw/zinc/67/68/88/634676888.db2.gz XVIDCOWBXXLMQW-ZDUSSCGKSA-N 2 2 280.416 0.957 20 0 CCADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCOCC2(C)C)cnn1C ZINC000903887155 634676893 /nfs/dbraw/zinc/67/68/93/634676893.db2.gz XVIDCOWBXXLMQW-ZDUSSCGKSA-N 2 2 280.416 0.957 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cnn1C ZINC000903919999 634687108 /nfs/dbraw/zinc/68/71/08/634687108.db2.gz QYIQYZLPZIWUDO-NJZAAPMLSA-N 3 2 279.432 0.434 20 0 CCADLP [NH3+][C@H](C[NH2+][C@@H]1C[C@@H]2CCCCN2C1=O)CC(F)F ZINC000903929606 634689286 /nfs/dbraw/zinc/68/92/86/634689286.db2.gz HGGIERYZLPIXJD-LPEHRKFASA-N 2 2 261.316 0.712 20 0 CCADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000903933335 634691838 /nfs/dbraw/zinc/69/18/38/634691838.db2.gz PARJAQDBUQIDDV-AEJSXWLSSA-N 2 2 261.316 0.569 20 0 CCADLP [NH3+][C@H](CC(F)F)C[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000903933335 634691839 /nfs/dbraw/zinc/69/18/39/634691839.db2.gz PARJAQDBUQIDDV-AEJSXWLSSA-N 2 2 261.316 0.569 20 0 CCADLP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)C1(O)CCOCC1 ZINC000905044530 634783652 /nfs/dbraw/zinc/78/36/52/634783652.db2.gz DOORZZAIGPMAFJ-BFHYXJOUSA-N 2 2 284.400 0.105 20 0 CCADLP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)C1(O)CCOCC1 ZINC000905044530 634783660 /nfs/dbraw/zinc/78/36/60/634783660.db2.gz DOORZZAIGPMAFJ-BFHYXJOUSA-N 2 2 284.400 0.105 20 0 CCADLP C[C@@H](O)C[N@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027594732 630791402 /nfs/dbraw/zinc/79/14/02/630791402.db2.gz MRMWMNWGWJWZGV-DGCLKSJQSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H](O)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027594732 630791409 /nfs/dbraw/zinc/79/14/09/630791409.db2.gz MRMWMNWGWJWZGV-DGCLKSJQSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H](O)C[N@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027701506 630858927 /nfs/dbraw/zinc/85/89/27/630858927.db2.gz AIJXBMQNQWEWJM-CHWSQXEVSA-N 2 2 280.372 0.187 20 0 CCADLP C[C@@H](O)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027701506 630858933 /nfs/dbraw/zinc/85/89/33/630858933.db2.gz AIJXBMQNQWEWJM-CHWSQXEVSA-N 2 2 280.372 0.187 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCF ZINC001027794878 630924238 /nfs/dbraw/zinc/92/42/38/630924238.db2.gz KMBWACWENDVUIZ-VXGBXAGGSA-N 2 2 257.353 0.631 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCF ZINC001027794878 630924241 /nfs/dbraw/zinc/92/42/41/630924241.db2.gz KMBWACWENDVUIZ-VXGBXAGGSA-N 2 2 257.353 0.631 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCF ZINC001027794878 630924244 /nfs/dbraw/zinc/92/42/44/630924244.db2.gz KMBWACWENDVUIZ-VXGBXAGGSA-N 2 2 257.353 0.631 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCF ZINC001027794878 630924248 /nfs/dbraw/zinc/92/42/48/630924248.db2.gz KMBWACWENDVUIZ-VXGBXAGGSA-N 2 2 257.353 0.631 20 0 CCADLP CS(=O)(=O)C1CC([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000893706105 631399393 /nfs/dbraw/zinc/39/93/93/631399393.db2.gz AUGTWPROIYUBKY-KPPDAEKUSA-N 2 2 269.370 0.363 20 0 CCADLP C[C@H]1C[C@@H]([NH+](C)CCc2nnnn2C)CC[N@@H+]1C ZINC000878164058 631599141 /nfs/dbraw/zinc/59/91/41/631599141.db2.gz ZXMBBPNVMOKSIV-QWRGUYRKSA-N 2 2 252.366 0.167 20 0 CCADLP C[C@H]1C[C@@H]([NH+](C)CCc2nnnn2C)CC[N@H+]1C ZINC000878164058 631599148 /nfs/dbraw/zinc/59/91/48/631599148.db2.gz ZXMBBPNVMOKSIV-QWRGUYRKSA-N 2 2 252.366 0.167 20 0 CCADLP C[C@H]1C[C@@H]([N@H+](C)CCc2nnnn2C)CC[NH+]1C ZINC000878164058 631599154 /nfs/dbraw/zinc/59/91/54/631599154.db2.gz ZXMBBPNVMOKSIV-QWRGUYRKSA-N 2 2 252.366 0.167 20 0 CCADLP C[C@H]1C[C@@H]([N@@H+](C)CCc2nnnn2C)CC[NH+]1C ZINC000878164058 631599158 /nfs/dbraw/zinc/59/91/58/631599158.db2.gz ZXMBBPNVMOKSIV-QWRGUYRKSA-N 2 2 252.366 0.167 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+]CCF)C1 ZINC000968534934 650019115 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C[N@H+]1CC[C@H]1CNC1CC[NH+](CC(C)(C)O)CC1 ZINC000896596340 632297312 /nfs/dbraw/zinc/29/73/12/632297312.db2.gz XMLKDKUXWQKJKK-ZDUSSCGKSA-N 2 2 255.406 0.515 20 0 CCADLP O=C(N[C@@H]1CCC[N@@H+](CCO)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001007708304 650088615 /nfs/dbraw/zinc/08/86/15/650088615.db2.gz VSMKXXLKQIRAQE-CHWSQXEVSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(N[C@@H]1CCC[N@H+](CCO)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001007708304 650088617 /nfs/dbraw/zinc/08/86/17/650088617.db2.gz VSMKXXLKQIRAQE-CHWSQXEVSA-N 2 2 292.383 0.018 20 0 CCADLP C[C@@H]1[C@@H]([NH2+]CCF)CCN1C(=O)Cc1c[nH+]cn1C ZINC000987349058 632859796 /nfs/dbraw/zinc/85/97/96/632859796.db2.gz SGGYVYMSKVEBFS-PWSUYJOCSA-N 2 2 268.336 0.511 20 0 CCADLP C[C@H]1[C@H]([NH2+]CCF)CCN1C(=O)Cn1cc[nH+]c1 ZINC000987602250 632884352 /nfs/dbraw/zinc/88/43/52/632884352.db2.gz AQUFWJUGZLYGOE-WDEREUQCSA-N 2 2 254.309 0.432 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCF)CN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000989076431 633145708 /nfs/dbraw/zinc/14/57/08/633145708.db2.gz 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C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000911704451 636356632 /nfs/dbraw/zinc/35/66/32/636356632.db2.gz TYAMTLWSGRRBHP-QWRGUYRKSA-N 2 2 250.346 0.704 20 0 CCADLP c1cncc(C[NH+]2CCN(C[C@H]3CCC[NH2+]3)CC2)c1 ZINC000209884980 636626672 /nfs/dbraw/zinc/62/66/72/636626672.db2.gz QBFPSJCRZCHYJC-OAHLLOKOSA-N 2 2 260.385 0.951 20 0 CCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912904782 636708483 /nfs/dbraw/zinc/70/84/83/636708483.db2.gz TWDREDRMFLNGMS-QWHCGFSZSA-N 2 2 274.368 0.752 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC(C)(C)CC[NH+]1CCOCC1 ZINC000912950017 636715942 /nfs/dbraw/zinc/71/59/42/636715942.db2.gz ZAPKMKXPYLACHD-UHFFFAOYSA-N 2 2 294.399 0.809 20 0 CCADLP C[N@@H+]1CC[C@H]1CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000925408580 637621799 /nfs/dbraw/zinc/62/17/99/637621799.db2.gz QGRJRTWAWLLNJS-ZDUSSCGKSA-N 2 2 277.372 0.934 20 0 CCADLP C[N@H+]1CC[C@H]1CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000925408580 637621800 /nfs/dbraw/zinc/62/18/00/637621800.db2.gz 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639002122 /nfs/dbraw/zinc/00/21/22/639002122.db2.gz RZAFMTQNSZNTIT-QWHCGFSZSA-N 2 2 280.372 0.235 20 0 CCADLP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CC[N@H+](CCO)C1 ZINC001014607865 650466671 /nfs/dbraw/zinc/46/66/71/650466671.db2.gz PBHDZZWKIVPKOG-LBPRGKRZSA-N 2 2 297.424 0.606 20 0 CCADLP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CC[N@@H+](CCO)C1 ZINC001014607865 650466673 /nfs/dbraw/zinc/46/66/73/650466673.db2.gz PBHDZZWKIVPKOG-LBPRGKRZSA-N 2 2 297.424 0.606 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001000821073 639175497 /nfs/dbraw/zinc/17/54/97/639175497.db2.gz XVQUIFDKOQPHEW-OLZOCXBDSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2=CC[NH+](CCF)CC2)O1 ZINC001000838557 639177978 /nfs/dbraw/zinc/17/79/78/639177978.db2.gz XFHVOYOYUMKULH-TZMCWYRMSA-N 2 2 299.390 0.423 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2=CC[NH+](CCF)CC2)O1 ZINC001000838557 639177983 /nfs/dbraw/zinc/17/79/83/639177983.db2.gz XFHVOYOYUMKULH-TZMCWYRMSA-N 2 2 299.390 0.423 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2=CC[N@H+](CCF)CC2)O1 ZINC001000838557 639177986 /nfs/dbraw/zinc/17/79/86/639177986.db2.gz XFHVOYOYUMKULH-TZMCWYRMSA-N 2 2 299.390 0.423 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NCC2=CC[N@@H+](CCF)CC2)O1 ZINC001000838557 639177989 /nfs/dbraw/zinc/17/79/89/639177989.db2.gz XFHVOYOYUMKULH-TZMCWYRMSA-N 2 2 299.390 0.423 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC2=CC[NH+](CCF)CC2)C1 ZINC001001461148 639300466 /nfs/dbraw/zinc/30/04/66/639300466.db2.gz HISZPYBOHHJJSS-CQSZACIVSA-N 2 2 299.390 0.425 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NCC2=CC[NH+](CCF)CC2)C1 ZINC001001461148 639300470 /nfs/dbraw/zinc/30/04/70/639300470.db2.gz HISZPYBOHHJJSS-CQSZACIVSA-N 2 2 299.390 0.425 20 0 CCADLP CC[C@@H](F)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016397802 639552183 /nfs/dbraw/zinc/55/21/83/639552183.db2.gz NOZWPEWTLSTURZ-NEPJUHHUSA-N 2 2 268.336 0.822 20 0 CCADLP CC[C@@H](F)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016397802 639552187 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C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CNC(=O)C2)C[N@@H+]1C1CC1 ZINC000922780852 639783845 /nfs/dbraw/zinc/78/38/45/639783845.db2.gz MATLZJRBGXTQBQ-GRYCIOLGSA-N 2 2 251.374 0.727 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CNC(=O)C2)C[N@H+]1C1CC1 ZINC000922780852 639783852 /nfs/dbraw/zinc/78/38/52/639783852.db2.gz MATLZJRBGXTQBQ-GRYCIOLGSA-N 2 2 251.374 0.727 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)NCC2([NH+](C)C)CC2)[C@@H](C)CO1 ZINC000922987946 639992219 /nfs/dbraw/zinc/99/22/19/639992219.db2.gz MMBPNZDWHBSJKT-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC2([NH+](C)C)CC2)[C@@H](C)CO1 ZINC000922987946 639992224 /nfs/dbraw/zinc/99/22/24/639992224.db2.gz MMBPNZDWHBSJKT-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP [NH3+]C[C@@H]1CCCC[N@@H+]1C[C@H](O)COC[C@H]1CCCO1 ZINC000923280969 640068520 /nfs/dbraw/zinc/06/85/20/640068520.db2.gz MOTMWSUOZLZGNL-MELADBBJSA-N 2 2 272.389 0.356 20 0 CCADLP [NH3+]C[C@@H]1CCCC[N@H+]1C[C@H](O)COC[C@H]1CCCO1 ZINC000923280969 640068523 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COCC[N@@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001015622764 650594975 /nfs/dbraw/zinc/59/49/75/650594975.db2.gz LBKDNFDWUSTRBN-CYBMUJFWSA-N 2 2 295.383 0.792 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001015622764 650594976 /nfs/dbraw/zinc/59/49/76/650594976.db2.gz LBKDNFDWUSTRBN-CYBMUJFWSA-N 2 2 295.383 0.792 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000806700079 640796875 /nfs/dbraw/zinc/79/68/75/640796875.db2.gz RAWYRIQYAYNIJH-NWDGAFQWSA-N 2 2 278.356 0.322 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000806700079 640796878 /nfs/dbraw/zinc/79/68/78/640796878.db2.gz RAWYRIQYAYNIJH-NWDGAFQWSA-N 2 2 278.356 0.322 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001016105264 650681970 /nfs/dbraw/zinc/68/19/70/650681970.db2.gz DRGAAKIEHLXCHR-LLVKDONJSA-N 2 2 266.345 0.098 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001016105264 650681971 /nfs/dbraw/zinc/68/19/71/650681971.db2.gz DRGAAKIEHLXCHR-LLVKDONJSA-N 2 2 266.345 0.098 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001016108766 650682424 /nfs/dbraw/zinc/68/24/24/650682424.db2.gz WXMMZTBETAANLO-CMPLNLGQSA-N 2 2 280.372 0.486 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001016108766 650682426 /nfs/dbraw/zinc/68/24/26/650682426.db2.gz WXMMZTBETAANLO-CMPLNLGQSA-N 2 2 280.372 0.486 20 0 CCADLP O=C(N1CCC[C@@H](c2[nH]cc[nH+]2)C1)[C@]1(F)CC[NH2+]C1 ZINC000828502754 642100684 /nfs/dbraw/zinc/10/06/84/642100684.db2.gz PXOHVHPYEYEPET-MFKMUULPSA-N 2 2 266.320 0.817 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001016398860 650725166 /nfs/dbraw/zinc/72/51/66/650725166.db2.gz ZADPZYOWQDXXGE-CYBMUJFWSA-N 2 2 292.383 0.643 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001016398860 650725167 /nfs/dbraw/zinc/72/51/67/650725167.db2.gz ZADPZYOWQDXXGE-CYBMUJFWSA-N 2 2 292.383 0.643 20 0 CCADLP C[C@H](O)C[NH+]1CCC2(C[C@H]2NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001016902871 650770368 /nfs/dbraw/zinc/77/03/68/650770368.db2.gz RLFOIDOGONVNNW-NWDGAFQWSA-N 2 2 292.383 0.304 20 0 CCADLP Cn1nc(Br)cc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841080893 642802044 /nfs/dbraw/zinc/80/20/44/642802044.db2.gz RLBLWKSRDGOGJN-MBTKJCJQSA-N 2 2 271.162 0.490 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000841058479 642802202 /nfs/dbraw/zinc/80/22/02/642802202.db2.gz HQURSVCYVNJRKJ-FZMZJTMJSA-N 2 2 277.368 0.638 20 0 CCADLP C[C@@H]1CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C[C@@H]1C[NH3+] ZINC000842510253 642903184 /nfs/dbraw/zinc/90/31/84/642903184.db2.gz PMZOFTKNYXSCNZ-ZJUUUORDSA-N 2 2 277.372 0.112 20 0 CCADLP [NH3+]Cc1ccc(C(=O)N2CC[NH2+]C[C@H]2C(F)F)o1 ZINC000843480812 643073635 /nfs/dbraw/zinc/07/36/35/643073635.db2.gz MQGSRAFIYPMCLY-QMMMGPOBSA-N 2 2 259.256 0.417 20 0 CCADLP O=C(CO[C@@H]1CCC[NH2+]C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000844174646 643171992 /nfs/dbraw/zinc/17/19/92/643171992.db2.gz PPVYKNZXIYXQFS-QWHCGFSZSA-N 2 2 292.383 0.884 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844190418 643176430 /nfs/dbraw/zinc/17/64/30/643176430.db2.gz FOLWZDIGASCALY-JTQLQIEISA-N 2 2 252.318 0.103 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000848103067 643596087 /nfs/dbraw/zinc/59/60/87/643596087.db2.gz GRIRAXRHVBXAEC-FRRDWIJNSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000848103067 643596094 /nfs/dbraw/zinc/59/60/94/643596094.db2.gz GRIRAXRHVBXAEC-FRRDWIJNSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000848103067 643596100 /nfs/dbraw/zinc/59/61/00/643596100.db2.gz GRIRAXRHVBXAEC-FRRDWIJNSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000848103067 643596107 /nfs/dbraw/zinc/59/61/07/643596107.db2.gz GRIRAXRHVBXAEC-FRRDWIJNSA-N 2 2 276.384 0.998 20 0 CCADLP [NH3+]C[C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000848393841 643631975 /nfs/dbraw/zinc/63/19/75/643631975.db2.gz JRJZWEXMHHSFNY-NEPJUHHUSA-N 2 2 262.357 0.643 20 0 CCADLP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ncccc1O ZINC000849024129 643702550 /nfs/dbraw/zinc/70/25/50/643702550.db2.gz IRUJZLUPZDVQFR-UHFFFAOYSA-N 2 2 293.371 0.123 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000851967316 643904633 /nfs/dbraw/zinc/90/46/33/643904633.db2.gz IQLGTBONALUNHA-GFCCVEGCSA-N 2 2 285.388 0.262 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000851967316 643904639 /nfs/dbraw/zinc/90/46/39/643904639.db2.gz IQLGTBONALUNHA-GFCCVEGCSA-N 2 2 285.388 0.262 20 0 CCADLP [NH3+]C[C@@H]1CC(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)=NO1 ZINC000852868560 644032264 /nfs/dbraw/zinc/03/22/64/644032264.db2.gz JOZZZJOAPWAANT-JTQLQIEISA-N 2 2 277.328 0.219 20 0 CCADLP [NH3+]C[C@@H]1CC(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)=NO1 ZINC000852868560 644032269 /nfs/dbraw/zinc/03/22/69/644032269.db2.gz JOZZZJOAPWAANT-JTQLQIEISA-N 2 2 277.328 0.219 20 0 CCADLP Cc1cc(CNC(=O)C2=NO[C@@H](C[NH3+])C2)cc(C)[nH+]1 ZINC000852891922 644045621 /nfs/dbraw/zinc/04/56/21/644045621.db2.gz BVSQFIBFNKVHHZ-LLVKDONJSA-N 2 2 262.313 0.418 20 0 CCADLP Cc1[nH]c(=O)[nH]c1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855417181 644317180 /nfs/dbraw/zinc/31/71/80/644317180.db2.gz DKKJBKILQDSRTN-UHFFFAOYSA-N 2 2 283.376 0.037 20 0 CCADLP Cc1[nH]c(=O)[nH]c1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855417181 644317183 /nfs/dbraw/zinc/31/71/83/644317183.db2.gz DKKJBKILQDSRTN-UHFFFAOYSA-N 2 2 283.376 0.037 20 0 CCADLP C[C@H](C[NH2+][C@H]1CC[NH2+]C1(C)C)N1CC[NH+](C)CC1 ZINC000925491024 644440463 /nfs/dbraw/zinc/44/04/63/644440463.db2.gz CYQYKPMCFNNJMH-OLZOCXBDSA-N 3 2 254.422 0.352 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)NCc2c[nH+]cn2C)C[NH2+]1 ZINC000861633354 644900522 /nfs/dbraw/zinc/90/05/22/644900522.db2.gz NUPZOLZMOQBZDL-ZJUUUORDSA-N 2 2 251.334 0.360 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([NH2+]CC2CCC2)C1 ZINC001019435567 650972912 /nfs/dbraw/zinc/97/29/12/650972912.db2.gz JTCHZUNYXCVULN-LBPRGKRZSA-N 2 2 262.357 0.943 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([NH2+]C[C@@H]2CCCCO2)C1 ZINC001019435708 650973163 /nfs/dbraw/zinc/97/31/63/650973163.db2.gz KTCUFUGCZMMQNQ-JSGCOSHPSA-N 2 2 292.383 0.712 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)c1ccccn1 ZINC000863570128 645108960 /nfs/dbraw/zinc/10/89/60/645108960.db2.gz DBRHPTMJIIEJHR-UONOGXRCSA-N 2 2 292.383 0.044 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)c1ccccn1 ZINC000863570128 645108965 /nfs/dbraw/zinc/10/89/65/645108965.db2.gz DBRHPTMJIIEJHR-UONOGXRCSA-N 2 2 292.383 0.044 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]([NH2+]Cc2ccns2)C1 ZINC001019565870 650988290 /nfs/dbraw/zinc/98/82/90/650988290.db2.gz GRKVCHFHJSQWGM-JTQLQIEISA-N 2 2 291.380 0.799 20 0 CCADLP Cc1ncc(C[NH2+][C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)o1 ZINC001019867910 651011084 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O=C(/C=C\C[NH+]1CCOCC1)NCC[N@H+]1CC=CCC1 ZINC000867921051 645682560 /nfs/dbraw/zinc/68/25/60/645682560.db2.gz FDLGBALUHIEVGM-PLNGDYQASA-N 2 2 279.384 0.253 20 0 CCADLP O=C(/C=C\C[NH+]1CCOCC1)NCC[N@@H+]1CC=CCC1 ZINC000867921051 645682569 /nfs/dbraw/zinc/68/25/69/645682569.db2.gz FDLGBALUHIEVGM-PLNGDYQASA-N 2 2 279.384 0.253 20 0 CCADLP CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001020312569 651059152 /nfs/dbraw/zinc/05/91/52/651059152.db2.gz NJJXWJQYZJFQOL-SRVKXCTJSA-N 2 2 262.357 0.702 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@H]1CC[C@H]([NH3+])CC1)[NH+]1CCOCC1 ZINC000870882460 646035349 /nfs/dbraw/zinc/03/53/49/646035349.db2.gz NRPDKNPIIKZQSX-CRWXNKLISA-N 2 2 283.416 0.729 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CC[NH2+]C2)C[C@H]1C(F)(F)F ZINC000872150308 646213613 /nfs/dbraw/zinc/21/36/13/646213613.db2.gz ZKDBZOVKRVBNAU-IVZWLZJFSA-N 3 2 251.296 0.665 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)C[C@H]1C(F)(F)F ZINC000872150308 646213618 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2 269.389 0.341 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CCO1 ZINC000876747030 646656020 /nfs/dbraw/zinc/65/60/20/646656020.db2.gz SLMUZIMFHSEZLB-YNEHKIRRSA-N 2 2 269.389 0.341 20 0 CCADLP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000876866238 646685988 /nfs/dbraw/zinc/68/59/88/646685988.db2.gz AIVBWTCKVOTTLI-NQMVMOMDSA-N 2 2 270.283 0.627 20 0 CCADLP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000876866238 646685993 /nfs/dbraw/zinc/68/59/93/646685993.db2.gz AIVBWTCKVOTTLI-NQMVMOMDSA-N 2 2 270.283 0.627 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000877254187 646769746 /nfs/dbraw/zinc/76/97/46/646769746.db2.gz QXUHBMAUYCHLOS-VIFPVBQESA-N 2 2 250.346 0.765 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000880526785 647221516 /nfs/dbraw/zinc/22/15/16/647221516.db2.gz NYCHRRIJSCVZJL-YPMHNXCESA-N 2 2 262.357 0.563 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000880526785 647221521 /nfs/dbraw/zinc/22/15/21/647221521.db2.gz NYCHRRIJSCVZJL-YPMHNXCESA-N 2 2 262.357 0.563 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CCCCCCO)CC1 ZINC000131350013 647506458 /nfs/dbraw/zinc/50/64/58/647506458.db2.gz XNGMOELUECSYQX-OAHLLOKOSA-N 2 2 297.443 0.953 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CCCCCCO)CC1 ZINC000131350013 647506463 /nfs/dbraw/zinc/50/64/63/647506463.db2.gz XNGMOELUECSYQX-OAHLLOKOSA-N 2 2 297.443 0.953 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC[NH+](CCCO)CC1 ZINC001006338133 647570694 /nfs/dbraw/zinc/57/06/94/647570694.db2.gz ALFNBBHVGURWMA-UHFFFAOYSA-N 2 2 294.399 0.566 20 0 CCADLP C[C@H]1C[NH+](CCCNC(=O)c2ncoc2C[NH3+])C[C@H](C)O1 ZINC000884183876 647661167 /nfs/dbraw/zinc/66/11/67/647661167.db2.gz ZCZYIUQUENPDPT-QWRGUYRKSA-N 2 2 296.371 0.362 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)c[nH+]1 ZINC000884469275 647745251 /nfs/dbraw/zinc/74/52/51/647745251.db2.gz BKOLOXJPRQXADE-PHIMTYICSA-N 2 2 250.346 0.780 20 0 CCADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1[C@@H]1CCNC1=O ZINC000887132597 648072276 /nfs/dbraw/zinc/07/22/76/648072276.db2.gz IZZBQEZTCDMSCM-DGCLKSJQSA-N 2 2 260.341 0.481 20 0 CCADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1[C@@H]1CCNC1=O ZINC000887132597 648072284 /nfs/dbraw/zinc/07/22/84/648072284.db2.gz IZZBQEZTCDMSCM-DGCLKSJQSA-N 2 2 260.341 0.481 20 0 CCADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CCNS(C)(=O)=O ZINC000887133115 648073223 /nfs/dbraw/zinc/07/32/23/648073223.db2.gz UFXWMLWQERYLIJ-LBPRGKRZSA-N 2 2 298.412 0.141 20 0 CCADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CCNS(C)(=O)=O ZINC000887133115 648073228 /nfs/dbraw/zinc/07/32/28/648073228.db2.gz UFXWMLWQERYLIJ-LBPRGKRZSA-N 2 2 298.412 0.141 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1cc(N)cc[nH+]1 ZINC000887278369 648086824 /nfs/dbraw/zinc/08/68/24/648086824.db2.gz ACYWYKJDVJPVAN-JTQLQIEISA-N 2 2 274.328 0.748 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889769659 648250440 /nfs/dbraw/zinc/25/04/40/648250440.db2.gz MPZFLPYDXRFJLJ-KGLIPLIRSA-N 2 2 292.383 0.331 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889769659 648250443 /nfs/dbraw/zinc/25/04/43/648250443.db2.gz MPZFLPYDXRFJLJ-KGLIPLIRSA-N 2 2 292.383 0.331 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NC[C@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1C ZINC000925339177 648420272 /nfs/dbraw/zinc/42/02/72/648420272.db2.gz SHZYKHCCBNTDQS-FRRDWIJNSA-N 2 2 291.399 0.837 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NC[C@H]2CCn3cc[nH+]c3C2)CC[N@H+]1C ZINC000925339177 648420277 /nfs/dbraw/zinc/42/02/77/648420277.db2.gz SHZYKHCCBNTDQS-FRRDWIJNSA-N 2 2 291.399 0.837 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)N[C@H]2Cc3c[nH+]cn3C2)CC[N@@H+]1C ZINC000925342617 648421212 /nfs/dbraw/zinc/42/12/12/648421212.db2.gz CEAYLFYUWVDCGU-SCVCMEIPSA-N 2 2 263.345 0.200 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)N[C@H]2Cc3c[nH+]cn3C2)CC[N@H+]1C ZINC000925342617 648421214 /nfs/dbraw/zinc/42/12/14/648421214.db2.gz CEAYLFYUWVDCGU-SCVCMEIPSA-N 2 2 263.345 0.200 20 0 CCADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000925532634 648440728 /nfs/dbraw/zinc/44/07/28/648440728.db2.gz XIDWWFLSIFZLDG-HIFRSBDPSA-N 3 2 268.449 0.743 20 0 CCADLP Cc1[nH]ncc1[C@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925810756 648463517 /nfs/dbraw/zinc/46/35/17/648463517.db2.gz BFSVPUFWEFNRDU-JTQLQIEISA-N 2 2 251.378 0.792 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925846445 648466645 /nfs/dbraw/zinc/46/66/45/648466645.db2.gz NHJWHDNPHAWQIW-JKSUJKDBSA-N 3 2 298.475 0.419 20 0 CCADLP OCCOCCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926123318 648487999 /nfs/dbraw/zinc/48/79/99/648487999.db2.gz VNAGOPBCZBRTHA-UONOGXRCSA-N 2 2 256.390 0.992 20 0 CCADLP OCCOCCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926123318 648488002 /nfs/dbraw/zinc/48/80/02/648488002.db2.gz VNAGOPBCZBRTHA-UONOGXRCSA-N 2 2 256.390 0.992 20 0 CCADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+]1CCSCC1 ZINC000928440609 648633433 /nfs/dbraw/zinc/63/34/33/648633433.db2.gz LYNYGSMVZJRAFU-IJLUTSLNSA-N 2 2 271.430 0.633 20 0 CCADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+]1CCSCC1 ZINC000928440609 648633438 /nfs/dbraw/zinc/63/34/38/648633438.db2.gz LYNYGSMVZJRAFU-IJLUTSLNSA-N 2 2 271.430 0.633 20 0 CCADLP C[C@H](O)[C@@H](O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000930129459 648827694 /nfs/dbraw/zinc/82/76/94/648827694.db2.gz PPQBFMBTYHTGEQ-AAEUAGOBSA-N 2 2 265.357 0.700 20 0 CCADLP C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931432449 648987978 /nfs/dbraw/zinc/98/79/78/648987978.db2.gz QWVKIMIDHGCHCO-GARJFASQSA-N 2 2 293.333 0.937 20 0 CCADLP C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931432449 648987980 /nfs/dbraw/zinc/98/79/80/648987980.db2.gz QWVKIMIDHGCHCO-GARJFASQSA-N 2 2 293.333 0.937 20 0 CCADLP C[C@@H](C(=O)NCC(F)(F)F)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931432449 648987982 /nfs/dbraw/zinc/98/79/82/648987982.db2.gz QWVKIMIDHGCHCO-GARJFASQSA-N 2 2 293.333 0.937 20 0 CCADLP C[C@@H](C(=O)NCC(F)(F)F)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931432449 648987984 /nfs/dbraw/zinc/98/79/84/648987984.db2.gz QWVKIMIDHGCHCO-GARJFASQSA-N 2 2 293.333 0.937 20 0 CCADLP Nc1cc[nH+]c2c1C[N@H+](CC[C@H]1CCOC1=O)CC2 ZINC000931512505 648998035 /nfs/dbraw/zinc/99/80/35/648998035.db2.gz IPMIEWSUQUUXNR-JTQLQIEISA-N 2 2 261.325 0.975 20 0 CCADLP Nc1cc[nH+]c2c1C[N@@H+](CC[C@H]1CCOC1=O)CC2 ZINC000931512505 648998037 /nfs/dbraw/zinc/99/80/37/648998037.db2.gz IPMIEWSUQUUXNR-JTQLQIEISA-N 2 2 261.325 0.975 20 0 CCADLP C[C@@H]1CC[NH+](CC(O)C[N@@H+]2CCO[C@H](C)CC2)CCO1 ZINC000932347977 649067679 /nfs/dbraw/zinc/06/76/79/649067679.db2.gz PQZAIAAETOYQAU-ZIAGYGMSSA-N 2 2 286.416 0.569 20 0 CCADLP C[C@@H]1CC[NH+](CC(O)C[N@H+]2CCO[C@H](C)CC2)CCO1 ZINC000932347977 649067683 /nfs/dbraw/zinc/06/76/83/649067683.db2.gz PQZAIAAETOYQAU-ZIAGYGMSSA-N 2 2 286.416 0.569 20 0 CCADLP O=C1NCCC2(CC[NH+](C[C@@H](O)C[NH+]3CCCC3)CC2)O1 ZINC000932764303 649089134 /nfs/dbraw/zinc/08/91/34/649089134.db2.gz AOTBPKPYUKPYFF-ZDUSSCGKSA-N 2 2 297.399 0.408 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)CCO1 ZINC000933732954 649140166 /nfs/dbraw/zinc/14/01/66/649140166.db2.gz WWHNURXEVCDLDF-QLFBSQMISA-N 2 2 267.417 0.591 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)CCO1 ZINC000933732954 649140168 /nfs/dbraw/zinc/14/01/68/649140168.db2.gz WWHNURXEVCDLDF-QLFBSQMISA-N 2 2 267.417 0.591 20 0 CCADLP C[C@@H]1CN(CC[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CCO1 ZINC000933732954 649140170 /nfs/dbraw/zinc/14/01/70/649140170.db2.gz WWHNURXEVCDLDF-QLFBSQMISA-N 2 2 267.417 0.591 20 0 CCADLP C[C@@H]1CN(CC[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CCO1 ZINC000933732954 649140173 /nfs/dbraw/zinc/14/01/73/649140173.db2.gz WWHNURXEVCDLDF-QLFBSQMISA-N 2 2 267.417 0.591 20 0 CCADLP C[C@@H]1C[N@H+](CCN2C[C@@H]3C[NH+](C)C[C@]3(C)C2)CCO1 ZINC000933732954 649140175 /nfs/dbraw/zinc/14/01/75/649140175.db2.gz WWHNURXEVCDLDF-QLFBSQMISA-N 2 2 267.417 0.591 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2C[C@@H]3C[NH+](C)C[C@]3(C)C2)CCO1 ZINC000933732954 649140177 /nfs/dbraw/zinc/14/01/77/649140177.db2.gz WWHNURXEVCDLDF-QLFBSQMISA-N 2 2 267.417 0.591 20 0 CCADLP C[C@@H]1C[NH+](CCN2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CCO1 ZINC000933732954 649140180 /nfs/dbraw/zinc/14/01/80/649140180.db2.gz WWHNURXEVCDLDF-QLFBSQMISA-N 2 2 267.417 0.591 20 0 CCADLP C[C@@H]1C[NH+](CCN2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CCO1 ZINC000933732954 649140181 /nfs/dbraw/zinc/14/01/81/649140181.db2.gz WWHNURXEVCDLDF-QLFBSQMISA-N 2 2 267.417 0.591 20 0 CCADLP C[C@H]1CN(CC[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)CCO1 ZINC000933732956 649140768 /nfs/dbraw/zinc/14/07/68/649140768.db2.gz WWHNURXEVCDLDF-SOUVJXGZSA-N 2 2 267.417 0.591 20 0 CCADLP C[C@H]1CN(CC[N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)CCO1 ZINC000933732956 649140770 /nfs/dbraw/zinc/14/07/70/649140770.db2.gz WWHNURXEVCDLDF-SOUVJXGZSA-N 2 2 267.417 0.591 20 0 CCADLP C[C@H]1CN(CC[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CCO1 ZINC000933732956 649140771 /nfs/dbraw/zinc/14/07/71/649140771.db2.gz WWHNURXEVCDLDF-SOUVJXGZSA-N 2 2 267.417 0.591 20 0 CCADLP C[C@H]1CN(CC[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CCO1 ZINC000933732956 649140772 /nfs/dbraw/zinc/14/07/72/649140772.db2.gz WWHNURXEVCDLDF-SOUVJXGZSA-N 2 2 267.417 0.591 20 0 CCADLP C[C@H]1C[N@H+](CCN2C[C@@H]3C[NH+](C)C[C@]3(C)C2)CCO1 ZINC000933732956 649140774 /nfs/dbraw/zinc/14/07/74/649140774.db2.gz WWHNURXEVCDLDF-SOUVJXGZSA-N 2 2 267.417 0.591 20 0 CCADLP C[C@H]1C[N@@H+](CCN2C[C@@H]3C[NH+](C)C[C@]3(C)C2)CCO1 ZINC000933732956 649140777 /nfs/dbraw/zinc/14/07/77/649140777.db2.gz WWHNURXEVCDLDF-SOUVJXGZSA-N 2 2 267.417 0.591 20 0 CCADLP C[C@H]1C[NH+](CCN2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CCO1 ZINC000933732956 649140780 /nfs/dbraw/zinc/14/07/80/649140780.db2.gz WWHNURXEVCDLDF-SOUVJXGZSA-N 2 2 267.417 0.591 20 0 CCADLP C[C@H]1C[NH+](CCN2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)CCO1 ZINC000933732956 649140783 /nfs/dbraw/zinc/14/07/83/649140783.db2.gz WWHNURXEVCDLDF-SOUVJXGZSA-N 2 2 267.417 0.591 20 0 CCADLP CO[C@@H](C)C[NH+]1CCC(N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC001006473809 649529103 /nfs/dbraw/zinc/52/91/03/649529103.db2.gz ZLNUDVHYGJRVOJ-ZDUSSCGKSA-N 2 2 294.399 0.841 20 0 CCADLP C[N@@H+]1CCC[C@H]2C[NH+](CN3CCOC3=S)CC[C@H]21 ZINC000247134276 649703524 /nfs/dbraw/zinc/70/35/24/649703524.db2.gz RWBRTFFSFJLVDO-NWDGAFQWSA-N 2 2 269.414 0.977 20 0 CCADLP C[N@H+]1CCC[C@H]2C[NH+](CN3CCOC3=S)CC[C@H]21 ZINC000247134276 649703530 /nfs/dbraw/zinc/70/35/30/649703530.db2.gz RWBRTFFSFJLVDO-NWDGAFQWSA-N 2 2 269.414 0.977 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@H+](CN3CCOC3=S)CC[C@H]21 ZINC000247134276 649703533 /nfs/dbraw/zinc/70/35/33/649703533.db2.gz RWBRTFFSFJLVDO-NWDGAFQWSA-N 2 2 269.414 0.977 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@@H+](CN3CCOC3=S)CC[C@H]21 ZINC000247134276 649703537 /nfs/dbraw/zinc/70/35/37/649703537.db2.gz RWBRTFFSFJLVDO-NWDGAFQWSA-N 2 2 269.414 0.977 20 0 CCADLP CC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001213500315 790344670 /nfs/dbraw/zinc/34/46/70/790344670.db2.gz QFAYWVSGBMOMRO-YNEHKIRRSA-N 2 2 280.372 0.670 20 0 CCADLP CC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@H](OC)C1 ZINC001213500315 790344684 /nfs/dbraw/zinc/34/46/84/790344684.db2.gz QFAYWVSGBMOMRO-YNEHKIRRSA-N 2 2 280.372 0.670 20 0 CCADLP Nc1cc[nH+]cc1C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC001209728318 790679740 /nfs/dbraw/zinc/67/97/40/790679740.db2.gz QJHIAXOQUOUNLG-SNVBAGLBSA-N 2 2 257.284 0.944 20 0 CCADLP Nc1cc[nH+]cc1C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC001209728318 790679746 /nfs/dbraw/zinc/67/97/46/790679746.db2.gz QJHIAXOQUOUNLG-SNVBAGLBSA-N 2 2 257.284 0.944 20 0 CCADLP C[C@@H](CC[NH2+]CC1CCS(=O)(=O)CC1)[NH+](C)C ZINC000693089895 790818183 /nfs/dbraw/zinc/81/81/83/790818183.db2.gz LRUHCOAGNCTLSD-NSHDSACASA-N 2 2 262.419 0.741 20 0 CCADLP COC[C@@H](C)[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167349811 790944112 /nfs/dbraw/zinc/94/41/12/790944112.db2.gz HJBZLBCQXNMKLK-SNVBAGLBSA-N 2 2 254.334 0.083 20 0 CCADLP CCO[C@H](C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001167350522 790948811 /nfs/dbraw/zinc/94/88/11/790948811.db2.gz YLKGTCYVIDAXHY-CQSZACIVSA-N 2 2 294.399 0.863 20 0 CCADLP O[C@@H](C[NH2+][C@H]1CCC[NH2+]C1)COc1ccc(F)cc1 ZINC001245985036 807106378 /nfs/dbraw/zinc/10/63/78/807106378.db2.gz ZKBPJUJQHAMCRQ-STQMWFEESA-N 2 2 268.332 0.907 20 0 CCADLP C[C@H](NC(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@H](C)[NH+]1CCOCC1 ZINC000891516359 791265005 /nfs/dbraw/zinc/26/50/05/791265005.db2.gz GOBGNHNEMUSYEJ-CYDGBPFRSA-N 2 2 284.404 0.132 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001266990924 791424975 /nfs/dbraw/zinc/42/49/75/791424975.db2.gz WWLLWZMQYBDCKR-VHSXEESVSA-N 2 2 268.361 0.390 20 0 CCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[C@H](C[NH2+]CCF)C1 ZINC001267048154 791479580 /nfs/dbraw/zinc/47/95/80/791479580.db2.gz TWVHEZXTMUEOKF-OLZOCXBDSA-N 2 2 294.374 0.853 20 0 CCADLP CCN(CC)C(=O)C[NH+]1CC2(C1)CCN(CC[NH+](C)C)C2 ZINC001277903765 806311505 /nfs/dbraw/zinc/31/15/05/806311505.db2.gz UUYWUHVDCUPDNL-UHFFFAOYSA-N 2 2 296.459 0.424 20 0 CCADLP c1[nH]c2cc[nH+]cc2c1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234986469 806330642 /nfs/dbraw/zinc/33/06/42/806330642.db2.gz KHTKPSHARAIJAR-HNNXBMFYSA-N 3 2 271.368 0.700 20 0 CCADLP CC(=O)N1CCC(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001235037191 806351079 /nfs/dbraw/zinc/35/10/79/806351079.db2.gz DLUKUHGHOMCDBT-UONOGXRCSA-N 2 2 251.374 0.681 20 0 CCADLP CC(=O)N1CCC(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001235037191 806351087 /nfs/dbraw/zinc/35/10/87/806351087.db2.gz DLUKUHGHOMCDBT-UONOGXRCSA-N 2 2 251.374 0.681 20 0 CCADLP c1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235052249 806352978 /nfs/dbraw/zinc/35/29/78/806352978.db2.gz FROIOCZGHZFBDQ-HNNXBMFYSA-N 2 2 299.382 0.004 20 0 CCADLP c1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235052249 806352987 /nfs/dbraw/zinc/35/29/87/806352987.db2.gz FROIOCZGHZFBDQ-HNNXBMFYSA-N 2 2 299.382 0.004 20 0 CCADLP C[C@H](C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1)C(F)(F)F ZINC001235052265 806354812 /nfs/dbraw/zinc/35/48/12/806354812.db2.gz NMPHMCOZXZQZIY-ZJUUUORDSA-N 2 2 251.296 0.822 20 0 CCADLP C[C@H](C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1)C(F)(F)F ZINC001235052265 806354822 /nfs/dbraw/zinc/35/48/22/806354822.db2.gz NMPHMCOZXZQZIY-ZJUUUORDSA-N 2 2 251.296 0.822 20 0 CCADLP c1cn2cccc(C[N@@H+]3CCN[C@@]4(CC[NH2+]C4)C3)c2n1 ZINC001235064751 806366231 /nfs/dbraw/zinc/36/62/31/806366231.db2.gz TWJGEJNYNBKASU-OAHLLOKOSA-N 2 2 271.368 0.472 20 0 CCADLP c1cn2cccc(C[N@H+]3CCN[C@@]4(CC[NH2+]C4)C3)c2n1 ZINC001235064751 806366240 /nfs/dbraw/zinc/36/62/40/806366240.db2.gz TWJGEJNYNBKASU-OAHLLOKOSA-N 2 2 271.368 0.472 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCCC[C@@]12CC[NH2+]C2 ZINC001235127052 806376659 /nfs/dbraw/zinc/37/66/59/806376659.db2.gz WQYZVKNWGQMLDK-AWEZNQCLSA-N 2 2 253.390 0.537 20 0 CCADLP CCOC(=O)[C@H]1C[C@@H]2C[N@H+](CC[C@H]3CCCC[NH2+]3)C[C@@H]2N1 ZINC001235266724 806399062 /nfs/dbraw/zinc/39/90/62/806399062.db2.gz FQYRFQMYCHTNPF-TUVASFSCSA-N 2 2 295.427 0.744 20 0 CCADLP CCOC(=O)[C@H]1C[C@@H]2C[N@@H+](CC[C@H]3CCCC[NH2+]3)C[C@@H]2N1 ZINC001235266724 806399070 /nfs/dbraw/zinc/39/90/70/806399070.db2.gz FQYRFQMYCHTNPF-TUVASFSCSA-N 2 2 295.427 0.744 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)O1 ZINC001235367239 806414189 /nfs/dbraw/zinc/41/41/89/806414189.db2.gz GWCXSYXPMCJORC-GUIRCDHDSA-N 3 2 281.400 0.164 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)O1 ZINC001235367239 806414194 /nfs/dbraw/zinc/41/41/94/806414194.db2.gz GWCXSYXPMCJORC-GUIRCDHDSA-N 3 2 281.400 0.164 20 0 CCADLP CCC[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001277948299 806431289 /nfs/dbraw/zinc/43/12/89/806431289.db2.gz SRPPMIGZXPJALY-GFCCVEGCSA-N 2 2 250.346 0.943 20 0 CCADLP Cn1cc([C@H]2COC3(C2)CC[NH+](CC[NH3+])CC3)cn1 ZINC001235487621 806433905 /nfs/dbraw/zinc/43/39/05/806433905.db2.gz IHNQCRZZARQWMD-GFCCVEGCSA-N 2 2 264.373 0.717 20 0 CCADLP [NH3+]CC[NH+]1C[C@@H]2CN(C(=O)c3ccsc3)C[C@H]2C1 ZINC001235575278 806461974 /nfs/dbraw/zinc/46/19/74/806461974.db2.gz RATCWGBIYSQQBX-VXGBXAGGSA-N 2 2 265.382 0.711 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+]1CC[C@H]2[C@@H](CC(=O)NC3CCC3)OC[C@H]2C1 ZINC001235604905 806471790 /nfs/dbraw/zinc/47/17/90/806471790.db2.gz GRMBYCIWZFLLSR-QHSBEEBCSA-N 2 2 295.427 0.729 20 0 CCADLP C[C@@H]([NH3+])C[N@H+]1CC[C@H]2[C@@H](CC(=O)NC3CCC3)OC[C@H]2C1 ZINC001235604905 806471798 /nfs/dbraw/zinc/47/17/98/806471798.db2.gz GRMBYCIWZFLLSR-QHSBEEBCSA-N 2 2 295.427 0.729 20 0 CCADLP Sc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)cc1 ZINC001235871139 806511760 /nfs/dbraw/zinc/51/17/60/806511760.db2.gz PUXYPFIONSNQKA-UHFFFAOYSA-N 2 2 294.468 0.560 20 0 CCADLP COc1ncc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cc1F ZINC001235998584 806526550 /nfs/dbraw/zinc/52/65/50/806526550.db2.gz NTPDFZNMUDQQMD-QYJAPNMZSA-N 2 2 281.331 0.635 20 0 CCADLP COc1ncc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cc1F ZINC001235998584 806526554 /nfs/dbraw/zinc/52/65/54/806526554.db2.gz NTPDFZNMUDQQMD-QYJAPNMZSA-N 2 2 281.331 0.635 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246094293 807151750 /nfs/dbraw/zinc/15/17/50/807151750.db2.gz DWNSWJNTPYQOBS-NDBYEHHHSA-N 2 2 283.416 0.646 20 0 CCADLP C[C@@H]1C[N@H+](Cc2cccc(N3CC[NH2+]CC3)c2)C[C@@H]1[NH3+] ZINC001236094272 806543290 /nfs/dbraw/zinc/54/32/90/806543290.db2.gz QVPNEJQGTDJJAO-CJNGLKHVSA-N 3 2 274.412 0.875 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2cccc(N3CC[NH2+]CC3)c2)C[C@@H]1[NH3+] ZINC001236094272 806543295 /nfs/dbraw/zinc/54/32/95/806543295.db2.gz QVPNEJQGTDJJAO-CJNGLKHVSA-N 3 2 274.412 0.875 20 0 CCADLP CC(=O)N1CCC[C@H]([N@H+](C)C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001236266384 806558503 /nfs/dbraw/zinc/55/85/03/806558503.db2.gz RDPYIDXTDWPXFM-STQMWFEESA-N 2 2 269.389 0.654 20 0 CCADLP CC(=O)N1CCC[C@H]([N@@H+](C)C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001236266384 806558512 /nfs/dbraw/zinc/55/85/12/806558512.db2.gz RDPYIDXTDWPXFM-STQMWFEESA-N 2 2 269.389 0.654 20 0 CCADLP COC(=O)[C@]1([NH3+])CCN(CCC[NH2+]C2CCCCC2)C1 ZINC001236279892 806559114 /nfs/dbraw/zinc/55/91/14/806559114.db2.gz SQAQNKDCNQLHGG-HNNXBMFYSA-N 2 2 283.416 0.875 20 0 CCADLP CC[C@H]([NH3+])CN(CC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001236398779 806589246 /nfs/dbraw/zinc/58/92/46/806589246.db2.gz JNHNUIKMHCVYKI-INIZCTEOSA-N 3 2 298.475 0.358 20 0 CCADLP CN(C)C(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+]1CCCC1 ZINC001278055182 806640667 /nfs/dbraw/zinc/64/06/67/806640667.db2.gz AVKNADNXORJJJK-GASCZTMLSA-N 2 2 294.443 0.319 20 0 CCADLP CN(C)C(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+]1CCCC1 ZINC001278055182 806640672 /nfs/dbraw/zinc/64/06/72/806640672.db2.gz AVKNADNXORJJJK-GASCZTMLSA-N 2 2 294.443 0.319 20 0 CCADLP COC(=O)c1cc(C[N@H+]2CCc3[nH+]ccn3CC2)nn1C ZINC001237572057 806687950 /nfs/dbraw/zinc/68/79/50/806687950.db2.gz KZAYKTCDZRJWJO-UHFFFAOYSA-N 2 2 289.339 0.462 20 0 CCADLP COC(=O)c1cc(C[N@@H+]2CCc3[nH+]ccn3CC2)nn1C ZINC001237572057 806687954 /nfs/dbraw/zinc/68/79/54/806687954.db2.gz KZAYKTCDZRJWJO-UHFFFAOYSA-N 2 2 289.339 0.462 20 0 CCADLP CC[C@@H]1CCCN1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001120648377 798902587 /nfs/dbraw/zinc/90/25/87/798902587.db2.gz IOTNOYOQFBMBHD-CYBMUJFWSA-N 2 2 268.405 0.994 20 0 CCADLP C[C@@H]1C[NH+](CCCNC(=O)C[C@H]([NH3+])C(F)F)C[C@@H](C)O1 ZINC001121904437 799089946 /nfs/dbraw/zinc/08/99/46/799089946.db2.gz BYJMCMHFXMNBHS-MXWKQRLJSA-N 2 2 293.358 0.584 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC001121927167 799096336 /nfs/dbraw/zinc/09/63/36/799096336.db2.gz WCHLRLIHNRPYQH-LLVKDONJSA-N 2 2 264.329 0.103 20 0 CCADLP COCC[NH2+]C1CC2(CC(NC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001121953121 799106023 /nfs/dbraw/zinc/10/60/23/799106023.db2.gz APYPJZXCMYDHQN-UHFFFAOYSA-N 2 2 292.383 0.616 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC1CC2(C1)CC([NH2+]CCCO)C2 ZINC001121963234 799108887 /nfs/dbraw/zinc/10/88/87/799108887.db2.gz UMJIPGPBOYZODY-UHFFFAOYSA-N 2 2 292.383 0.352 20 0 CCADLP C[C@H]([NH3+])C1(C(=O)NCCCCn2cc[nH+]c2)CCOCC1 ZINC001121990020 799114912 /nfs/dbraw/zinc/11/49/12/799114912.db2.gz ZOHYGHHWIOYGBN-ZDUSSCGKSA-N 2 2 294.399 0.924 20 0 CCADLP C[NH2+]CCCCC(=O)N(C)CC[NH+]1CCOCC1 ZINC001122029736 799128005 /nfs/dbraw/zinc/12/80/05/799128005.db2.gz YPZHOJUWFJQSFU-UHFFFAOYSA-N 2 2 257.378 0.167 20 0 CCADLP C[NH2+]C1(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)CCC1 ZINC001122139520 799152648 /nfs/dbraw/zinc/15/26/48/799152648.db2.gz ZIMIRHBUOVZSIF-NEPJUHHUSA-N 2 2 269.389 0.354 20 0 CCADLP C[NH2+]C1(C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)CCC1 ZINC001122139520 799152651 /nfs/dbraw/zinc/15/26/51/799152651.db2.gz ZIMIRHBUOVZSIF-NEPJUHHUSA-N 2 2 269.389 0.354 20 0 CCADLP COc1cnc(F)c(C(=O)NCC[NH+]2CCC([NH3+])CC2)c1 ZINC001122157069 799157588 /nfs/dbraw/zinc/15/75/88/799157588.db2.gz GVCSXVOIKAOQCY-UHFFFAOYSA-N 2 2 296.346 0.382 20 0 CCADLP COCC[NH2+]C1CC2(CC(NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001122290837 799189439 /nfs/dbraw/zinc/18/94/39/799189439.db2.gz SXDKYQGLLPAZTB-UHFFFAOYSA-N 2 2 292.383 0.547 20 0 CCADLP CC[NH+]1CC2(C1)CC[C@@H](C(=O)N1CCC([NH+](C)C)CC1)O2 ZINC001278160985 806734314 /nfs/dbraw/zinc/73/43/14/806734314.db2.gz RYEMNUYZNJAPQS-AWEZNQCLSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@]1(CO)CC[N@H+](Cc2cccc3c[nH+]cn32)C[C@H]1O ZINC001238108432 806751600 /nfs/dbraw/zinc/75/16/00/806751600.db2.gz WOHYEPZSGNBYNS-CABCVRRESA-N 2 2 275.352 0.900 20 0 CCADLP C[C@@]1(CO)CC[N@@H+](Cc2cccc3c[nH+]cn32)C[C@H]1O ZINC001238108432 806751604 /nfs/dbraw/zinc/75/16/04/806751604.db2.gz WOHYEPZSGNBYNS-CABCVRRESA-N 2 2 275.352 0.900 20 0 CCADLP CCc1nnc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001124879594 799643211 /nfs/dbraw/zinc/64/32/11/799643211.db2.gz XCBZHULPENEAOI-QWRGUYRKSA-N 2 2 295.387 0.493 20 0 CCADLP CCc1nnc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001124879594 799643214 /nfs/dbraw/zinc/64/32/14/799643214.db2.gz XCBZHULPENEAOI-QWRGUYRKSA-N 2 2 295.387 0.493 20 0 CCADLP Cc1cccn2c(CNS(=O)(=O)CC[NH3+])c[nH+]c12 ZINC001238200588 806770415 /nfs/dbraw/zinc/77/04/15/806770415.db2.gz AGFDDAVQVHDXDH-UHFFFAOYSA-N 2 2 268.342 0.021 20 0 CCADLP CC[NH+](CC)CCN1CC[NH+](Cc2cccnn2)CC1 ZINC001139970308 799859270 /nfs/dbraw/zinc/85/92/70/799859270.db2.gz RXHQFGRFZLOPJG-UHFFFAOYSA-N 2 2 277.416 0.936 20 0 CCADLP CNc1nccc(C[N@H+](C)CCN2CC[NH+](C)CC2)n1 ZINC001140042347 799874785 /nfs/dbraw/zinc/87/47/85/799874785.db2.gz INHSAQGEZIWPQH-UHFFFAOYSA-N 2 2 278.404 0.198 20 0 CCADLP Cc1ccc(CN(CC[NH+](C)C)CC[NH+](C)C)c(N)[nH+]1 ZINC001143204033 800206411 /nfs/dbraw/zinc/20/64/11/800206411.db2.gz WBGMIMBLSKQROF-UHFFFAOYSA-N 3 2 279.432 0.897 20 0 CCADLP Cc1cc(S(=O)(=O)NCC[NH2+]CC[NH3+])ccc1Cl ZINC001238838455 806812060 /nfs/dbraw/zinc/81/20/60/806812060.db2.gz KDEVAWYTYJWTRB-UHFFFAOYSA-N 2 2 291.804 0.475 20 0 CCADLP [NH3+]CC[NH2+]CCNS(=O)(=O)c1cc2ccccc2s1 ZINC001238839400 806812293 /nfs/dbraw/zinc/81/22/93/806812293.db2.gz RCHXPEWWXDQDDA-UHFFFAOYSA-N 2 2 299.421 0.728 20 0 CCADLP CCCCOCC[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149570817 800276831 /nfs/dbraw/zinc/27/68/31/800276831.db2.gz AZBXTNVBSYYPFH-UHFFFAOYSA-N 2 2 296.415 0.875 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)C[NH+]2CCCC2)o1 ZINC001151113901 800401328 /nfs/dbraw/zinc/40/13/28/800401328.db2.gz AJDZRTMFHJEPTD-UHFFFAOYSA-N 2 2 266.345 0.285 20 0 CCADLP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CCCF)c1cccnc1 ZINC001152618635 800542318 /nfs/dbraw/zinc/54/23/18/800542318.db2.gz QCKQWTFQGIZVPN-CYBMUJFWSA-N 2 2 282.363 0.750 20 0 CCADLP Cc1ncc(C[NH2+]CCNC(=O)CCCn2cc[nH+]c2)o1 ZINC001153351430 800624621 /nfs/dbraw/zinc/62/46/21/800624621.db2.gz SYGFENLJISZHDB-UHFFFAOYSA-N 2 2 291.355 0.866 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NCC[NH2+]CC[C@H]1CCOC1 ZINC001153345516 800624852 /nfs/dbraw/zinc/62/48/52/800624852.db2.gz YPJKTATUQPJJBR-AWEZNQCLSA-N 2 2 294.399 0.796 20 0 CCADLP Cc1ncoc1C[NH2+]CCNC(=O)CCCn1cc[nH+]c1 ZINC001153350638 800624883 /nfs/dbraw/zinc/62/48/83/800624883.db2.gz GMIJQPBMVVFONC-UHFFFAOYSA-N 2 2 291.355 0.866 20 0 CCADLP Cc1ncoc1C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153495356 800635309 /nfs/dbraw/zinc/63/53/09/800635309.db2.gz HPDOYWOTUPNREV-UHFFFAOYSA-N 2 2 263.301 0.086 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CCC[C@@H]1CCOC1 ZINC001153495938 800635691 /nfs/dbraw/zinc/63/56/91/800635691.db2.gz RMIBLRBMIPWTKC-CYBMUJFWSA-N 2 2 280.372 0.406 20 0 CCADLP C[C@H]1CC[C@@H](C[NH2+]CCNC(=O)Cn2cc[nH+]c2)O1 ZINC001153496314 800635743 /nfs/dbraw/zinc/63/57/43/800635743.db2.gz ZERKPBXJBLHSEF-RYUDHWBXSA-N 2 2 266.345 0.156 20 0 CCADLP CCc1nc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)cc(C)[nH+]1 ZINC001155579718 801014565 /nfs/dbraw/zinc/01/45/65/801014565.db2.gz HEQZJVGNUQNHCR-RNCFNFMXSA-N 2 2 261.329 0.337 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Nc2cc3[nH]ccc3c[nH+]2)C[NH2+]1 ZINC001156242603 801139408 /nfs/dbraw/zinc/13/94/08/801139408.db2.gz KEYJSNHIPIEDNJ-ONGXEEELSA-N 2 2 260.297 0.878 20 0 CCADLP C[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001156591741 801192443 /nfs/dbraw/zinc/19/24/43/801192443.db2.gz YIUTYXWXOUPADI-NSHDSACASA-N 2 2 250.346 0.730 20 0 CCADLP C[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001156591741 801192446 /nfs/dbraw/zinc/19/24/46/801192446.db2.gz YIUTYXWXOUPADI-NSHDSACASA-N 2 2 250.346 0.730 20 0 CCADLP CC(C)(CNc1ccc(N2CC[NH2+]CC2)c[nH+]1)C(N)=O ZINC001156738570 801228054 /nfs/dbraw/zinc/22/80/54/801228054.db2.gz MJXCZAPGQQBPDH-UHFFFAOYSA-N 2 2 277.372 0.415 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCCC[NH2+]Cc1cnon1 ZINC001157265824 801335267 /nfs/dbraw/zinc/33/52/67/801335267.db2.gz YQXOPTFCVTZIOE-UHFFFAOYSA-N 2 2 278.316 0.021 20 0 CCADLP CCN(c1ccc(N2CC[NH+](C)CC2)nn1)C1C[NH+](C)C1 ZINC001157453376 801388188 /nfs/dbraw/zinc/38/81/88/801388188.db2.gz CUISXRISNYNSPM-UHFFFAOYSA-N 2 2 290.415 0.369 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC(=O)[C@H]2CCCC[C@@H]21 ZINC001157566907 801423023 /nfs/dbraw/zinc/42/30/23/801423023.db2.gz GIZAQUZWAVWNQT-DCAQKATOSA-N 2 2 253.346 0.023 20 0 CCADLP C[C@@H]1CCCCN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001157780942 801482447 /nfs/dbraw/zinc/48/24/47/801482447.db2.gz KEMRLYVQOJXSLG-YRGRVCCFSA-N 2 2 251.374 0.587 20 0 CCADLP C[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CCC1(F)F ZINC001157849355 801500944 /nfs/dbraw/zinc/50/09/44/801500944.db2.gz USOMPOMPADVYFM-WZRBSPASSA-N 2 2 287.354 0.832 20 0 CCADLP CCN(CC)c1cncc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001157914588 801518892 /nfs/dbraw/zinc/51/88/92/801518892.db2.gz BRILYRYQTSZIMG-UHFFFAOYSA-N 2 2 291.403 0.917 20 0 CCADLP COc1cnc(NC(=[NH2+])N2CC[NH+](C)CC2)c(C)c1 ZINC001157914305 801518985 /nfs/dbraw/zinc/51/89/85/801518985.db2.gz ATJWAMIYLAGIOT-UHFFFAOYSA-N 2 2 263.345 0.993 20 0 CCADLP COCc1ccnc(NC(=[NH2+])N2CC[NH+](C)CC2)c1 ZINC001157914852 801519324 /nfs/dbraw/zinc/51/93/24/801519324.db2.gz NFEQNVBFUZUWEZ-UHFFFAOYSA-N 2 2 263.345 0.822 20 0 CCADLP C[C@@]1(F)CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C[C@@H]1F ZINC001157923490 801522392 /nfs/dbraw/zinc/52/23/92/801522392.db2.gz DXMLNAXOBSQZEE-XPORZQOISA-N 2 2 273.327 0.235 20 0 CCADLP C[C@@]1(F)CCN(C(=O)C2([NH3+])CC[NH2+]CC2)C[C@H]1F ZINC001157926339 801522511 /nfs/dbraw/zinc/52/25/11/801522511.db2.gz OUYZFQWSLXWFEW-MWLCHTKSSA-N 2 2 261.316 0.366 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(OC2CCC2)CC1 ZINC001157951672 801537490 /nfs/dbraw/zinc/53/74/90/801537490.db2.gz DGVPZUXQSVWPMG-CQSZACIVSA-N 2 2 292.383 0.840 20 0 CCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)N2CCCC[C@]3(CCCC[NH2+]C3)C2)C1 ZINC001158031138 801555761 /nfs/dbraw/zinc/55/57/61/801555761.db2.gz HHGWNKMXWJJDOW-DZKIICNBSA-N 3 2 294.443 0.448 20 0 CCADLP C[C@@H]1CN(c2cc(N3CCOCC3)[nH+]cn2)C[C@@H](C)[NH2+]1 ZINC001158172814 801583090 /nfs/dbraw/zinc/58/30/90/801583090.db2.gz NFVXIDBVRYOUDV-VXGBXAGGSA-N 2 2 277.372 0.500 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cnc2ccccc2n1 ZINC001158203421 801591739 /nfs/dbraw/zinc/59/17/39/801591739.db2.gz LZFYQVAAOZYDBN-SNVBAGLBSA-N 2 2 269.308 0.678 20 0 CCADLP COc1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c(C)c1 ZINC001158204899 801592248 /nfs/dbraw/zinc/59/22/48/801592248.db2.gz UPMUURAKVVGFBG-SNVBAGLBSA-N 2 2 262.313 0.446 20 0 CCADLP CCOc1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1 ZINC001158204949 801593072 /nfs/dbraw/zinc/59/30/72/801593072.db2.gz XCVLHVYFWXSUEI-SNVBAGLBSA-N 2 2 262.313 0.528 20 0 CCADLP CCOc1cccnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158209592 801597294 /nfs/dbraw/zinc/59/72/94/801597294.db2.gz ZBCOEKGQBLEBMZ-SNVBAGLBSA-N 2 2 262.313 0.528 20 0 CCADLP CN(C)c1cc(N2CCO[C@@H](C[NH+]3CCCC3)C2)nc[nH+]1 ZINC001158304889 801618333 /nfs/dbraw/zinc/61/83/33/801618333.db2.gz OJMOFEUNGJACEP-ZDUSSCGKSA-N 2 2 291.399 0.844 20 0 CCADLP C[N@H+](CCCO)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001158534348 801662502 /nfs/dbraw/zinc/66/25/02/801662502.db2.gz VCNSKPRUZBKPET-CQSZACIVSA-N 2 2 294.399 0.648 20 0 CCADLP C[N@@H+](CCCO)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001158534348 801662503 /nfs/dbraw/zinc/66/25/03/801662503.db2.gz VCNSKPRUZBKPET-CQSZACIVSA-N 2 2 294.399 0.648 20 0 CCADLP CCOC(=O)Cc1cc[nH+]c(N[C@H](C)[C@H]2C[NH2+]CCO2)c1 ZINC001159500490 801824989 /nfs/dbraw/zinc/82/49/89/801824989.db2.gz DCJSDJAVQCTYFW-DGCLKSJQSA-N 2 2 293.367 0.976 20 0 CCADLP COCCCC[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159540252 801830745 /nfs/dbraw/zinc/83/07/45/801830745.db2.gz LUSSSKRGWMQVFX-UHFFFAOYSA-N 2 2 282.388 0.865 20 0 CCADLP COCCCC[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159540252 801830753 /nfs/dbraw/zinc/83/07/53/801830753.db2.gz LUSSSKRGWMQVFX-UHFFFAOYSA-N 2 2 282.388 0.865 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2C[C@H]1C[C@H]2F ZINC001160428133 801938684 /nfs/dbraw/zinc/93/86/84/801938684.db2.gz PVMWEWBIRCTBOH-BBHBSTQDSA-N 2 2 252.293 0.238 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)N1CC2(CC[NH2+]CC2)c2ccccc21 ZINC001160698264 802005393 /nfs/dbraw/zinc/00/53/93/802005393.db2.gz ICBKMCVEWKYCDU-ZDUSSCGKSA-N 3 2 288.395 0.331 20 0 CCADLP CN(C[C@@H]1CC1(C)C)C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160710983 802008143 /nfs/dbraw/zinc/00/81/43/802008143.db2.gz QJSMDIQRVRCTMN-UHIISALHSA-N 2 2 251.374 0.442 20 0 CCADLP O=C(N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1)C1(F)C[NH2+]C1 ZINC001160779021 802019291 /nfs/dbraw/zinc/01/92/91/802019291.db2.gz FTBQSWYZZRXQPU-HIFRSBDPSA-N 2 2 289.354 0.298 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2C[C@@H]3C[C@H](C2)c2ccccc23)C1 ZINC001160936450 802049518 /nfs/dbraw/zinc/04/95/18/802049518.db2.gz IWLDSGJXJXDURL-ZAZJYDDPSA-N 2 2 271.364 0.789 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C2(CC2)C1 ZINC001160965751 802054030 /nfs/dbraw/zinc/05/40/30/802054030.db2.gz XUMNBCFKBQVIAV-JQWIXIFHSA-N 2 2 262.357 0.691 20 0 CCADLP CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)[C@]1(N)CC[NH2+]C1 ZINC001161030510 802069733 /nfs/dbraw/zinc/06/97/33/802069733.db2.gz AJZJFIXDDMGRIA-INIZCTEOSA-N 2 2 299.378 0.522 20 0 CCADLP Cc1cc(NCCN(CC[NH3+])N(O)N=O)nc(C(C)C)[nH+]1 ZINC001161095680 802088982 /nfs/dbraw/zinc/08/89/82/802088982.db2.gz DTALBAGJQMMLMJ-UHFFFAOYSA-N 2 2 297.363 0.869 20 0 CCADLP COC(=O)[C@]1([NH3+])CCN(C(=O)C23CCC([NH3+])(CC2)CC3)C1 ZINC001161139538 802100257 /nfs/dbraw/zinc/10/02/57/802100257.db2.gz WXSSVKHJVKNYLK-NRXISQOPSA-N 2 2 295.383 0.141 20 0 CCADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]([NH3+])C1CCCCC1 ZINC001161238617 802114147 /nfs/dbraw/zinc/11/41/47/802114147.db2.gz UURAVCGLPBNAOU-OLZOCXBDSA-N 2 2 297.399 0.210 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]([NH3+])C1CCCCC1 ZINC001161238617 802114150 /nfs/dbraw/zinc/11/41/50/802114150.db2.gz UURAVCGLPBNAOU-OLZOCXBDSA-N 2 2 297.399 0.210 20 0 CCADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)CCCCCCC[NH3+] ZINC001161238379 802114182 /nfs/dbraw/zinc/11/41/82/802114182.db2.gz SVDFKIQODPYAJB-CYBMUJFWSA-N 2 2 299.415 0.601 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)CCCCCCC[NH3+] ZINC001161238379 802114185 /nfs/dbraw/zinc/11/41/85/802114185.db2.gz SVDFKIQODPYAJB-CYBMUJFWSA-N 2 2 299.415 0.601 20 0 CCADLP c1ccc(N2CC(Nc3ncnc4c3CC[NH2+]CC4)C2)[nH+]c1 ZINC001161319056 802125732 /nfs/dbraw/zinc/12/57/32/802125732.db2.gz IQRIHOIQSVTPOI-UHFFFAOYSA-N 2 2 296.378 0.861 20 0 CCADLP CC(C)N(C(=O)[C@@H]1C[NH2+]CC(F)(F)C1)[C@H]1CC[NH2+]C1 ZINC001161351577 802136334 /nfs/dbraw/zinc/13/63/34/802136334.db2.gz KIJZFEZOKSJIDX-QWRGUYRKSA-N 2 2 275.343 0.830 20 0 CCADLP O=C([C@@H]1C[NH2+]CC(F)(F)C1)N1CC[NH2+]C2(CC2)C1 ZINC001161544611 802174357 /nfs/dbraw/zinc/17/43/57/802174357.db2.gz BUPJUWZNHDFHOA-VIFPVBQESA-N 2 2 259.300 0.196 20 0 CCADLP C[C@H](O)C[N@H+]1CC=C(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001161555133 802178513 /nfs/dbraw/zinc/17/85/13/802178513.db2.gz XKXMETOXMSEKKU-LBPRGKRZSA-N 2 2 292.383 0.471 20 0 CCADLP C[C@H](O)C[N@@H+]1CC=C(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001161555133 802178516 /nfs/dbraw/zinc/17/85/16/802178516.db2.gz XKXMETOXMSEKKU-LBPRGKRZSA-N 2 2 292.383 0.471 20 0 CCADLP CNc1cc[nH+]c(NCCCN2CC[NH+](C)CC2)n1 ZINC001161700633 802202823 /nfs/dbraw/zinc/20/28/23/802202823.db2.gz NXTNFOSMRFKZRG-UHFFFAOYSA-N 2 2 264.377 0.568 20 0 CCADLP CC(=O)Nc1cc[nH+]c(N[C@@H](C)CN2CC[NH2+]CC2)c1 ZINC001162090067 802272771 /nfs/dbraw/zinc/27/27/71/802272771.db2.gz DZDIVYDBJVEXNQ-NSHDSACASA-N 2 2 277.372 0.746 20 0 CCADLP C[C@@H](CN1CC[NH2+]CC1)Nc1cc(N2CCCC2)[nH+]cn1 ZINC001162093123 802274399 /nfs/dbraw/zinc/27/43/99/802274399.db2.gz FGUBDJNKSRZUIO-ZDUSSCGKSA-N 2 2 290.415 0.782 20 0 CCADLP COc1c(C)[nH+]c(C2CC2)nc1N[C@@H]1COC[C@@H]1[NH3+] ZINC001162920202 802436818 /nfs/dbraw/zinc/43/68/18/802436818.db2.gz SNQJRKFIWMLMGQ-VHSXEESVSA-N 2 2 264.329 0.809 20 0 CCADLP O=C1COc2c[nH+]c(NC[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)cc2N1 ZINC001163094474 802480860 /nfs/dbraw/zinc/48/08/60/802480860.db2.gz NGBLYBOFIRGPSO-FXPVBKGRSA-N 2 2 290.323 0.059 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])N(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001164060662 802663761 /nfs/dbraw/zinc/66/37/61/802663761.db2.gz BIQWSJZVOOYHCL-CHWSQXEVSA-N 2 2 291.399 0.877 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(NC[C@H]3CCC(=O)N3)c2)C1 ZINC001164171695 802681774 /nfs/dbraw/zinc/68/17/74/802681774.db2.gz RNRSLWOEGGKMNB-UKRRQHHQSA-N 2 2 288.395 0.910 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(NC[C@H]3CCC(=O)N3)c2)C1 ZINC001164171695 802681777 /nfs/dbraw/zinc/68/17/77/802681777.db2.gz RNRSLWOEGGKMNB-UKRRQHHQSA-N 2 2 288.395 0.910 20 0 CCADLP Cn1nccc(NCC2([NH+](C)C)CC[NH+](C)CC2)c1=O ZINC001164217485 802690926 /nfs/dbraw/zinc/69/09/26/802690926.db2.gz VLUNHZSQHBAHSL-UHFFFAOYSA-N 2 2 279.388 0.218 20 0 CCADLP [NH3+][C@@H]1CCN(c2ccc(OCC[NH+]3CCOCC3)nc2)C1 ZINC001164287013 802707075 /nfs/dbraw/zinc/70/70/75/802707075.db2.gz AIHHESKXNYGDCI-CYBMUJFWSA-N 2 2 292.383 0.330 20 0 CCADLP C[NH+](C)CCC(=O)NCCC[NH2+]CC(F)(F)C(F)F ZINC001165781281 802865950 /nfs/dbraw/zinc/86/59/50/802865950.db2.gz NYEBWGZLIJCTPH-UHFFFAOYSA-N 2 2 287.301 0.934 20 0 CCADLP O=C(NCCC[NH2+]CCF)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001166407967 802906158 /nfs/dbraw/zinc/90/61/58/802906158.db2.gz FBOPNTMLVACNHO-JTQLQIEISA-N 2 2 268.336 0.895 20 0 CCADLP COCCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001166961985 802996498 /nfs/dbraw/zinc/99/64/98/802996498.db2.gz UYGQFFKMWHGJJK-CHWSQXEVSA-N 2 2 294.399 0.656 20 0 CCADLP [NH3+]C[C@]1(O)CCC[N@H+](Cc2ncc(Cl)cn2)CC1 ZINC001205247850 803131589 /nfs/dbraw/zinc/13/15/89/803131589.db2.gz KFSROMLRYUYOER-LBPRGKRZSA-N 2 2 270.764 0.806 20 0 CCADLP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ncc(Cl)cn2)CC1 ZINC001205247850 803131591 /nfs/dbraw/zinc/13/15/91/803131591.db2.gz KFSROMLRYUYOER-LBPRGKRZSA-N 2 2 270.764 0.806 20 0 CCADLP CSc1nccc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)n1 ZINC001205681283 803154824 /nfs/dbraw/zinc/15/48/24/803154824.db2.gz HUBHQRJOSKHSST-ZDUSSCGKSA-N 2 2 282.413 0.874 20 0 CCADLP CSc1nccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)n1 ZINC001205681283 803154826 /nfs/dbraw/zinc/15/48/26/803154826.db2.gz HUBHQRJOSKHSST-ZDUSSCGKSA-N 2 2 282.413 0.874 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2cn3ccncc3n2)C1 ZINC001205683015 803154923 /nfs/dbraw/zinc/15/49/23/803154923.db2.gz WINGQIVTWPJLRK-CQSZACIVSA-N 2 2 275.356 0.405 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2cn3ccncc3n2)C1 ZINC001205683015 803154925 /nfs/dbraw/zinc/15/49/25/803154925.db2.gz WINGQIVTWPJLRK-CQSZACIVSA-N 2 2 275.356 0.405 20 0 CCADLP COC(=O)c1cccc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)n1 ZINC001205690949 803158718 /nfs/dbraw/zinc/15/87/18/803158718.db2.gz ZFBXJZMZFBELRO-HNNXBMFYSA-N 2 2 293.367 0.544 20 0 CCADLP COC(=O)c1cccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)n1 ZINC001205690949 803158720 /nfs/dbraw/zinc/15/87/20/803158720.db2.gz ZFBXJZMZFBELRO-HNNXBMFYSA-N 2 2 293.367 0.544 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)nc2)C[C@H]1O ZINC001205953203 803190600 /nfs/dbraw/zinc/19/06/00/803190600.db2.gz NNDCFXWFBFPCBW-HUUCEWRRSA-N 2 2 290.411 0.966 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)nc2)C[C@H]1O ZINC001205953203 803190605 /nfs/dbraw/zinc/19/06/05/803190605.db2.gz NNDCFXWFBFPCBW-HUUCEWRRSA-N 2 2 290.411 0.966 20 0 CCADLP COC[C@H](C)[NH2+]CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001206412090 803239673 /nfs/dbraw/zinc/23/96/73/803239673.db2.gz YLKCIBLRCKRNRJ-LBPRGKRZSA-N 2 2 294.399 0.815 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(OC(F)F)c(O)c2)C[C@H]1O ZINC001206470552 803249331 /nfs/dbraw/zinc/24/93/31/803249331.db2.gz YMRYKZOAXNIJQY-GXSJLCMTSA-N 2 2 288.294 0.745 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(OC(F)F)c(O)c2)C[C@H]1O ZINC001206470552 803249338 /nfs/dbraw/zinc/24/93/38/803249338.db2.gz YMRYKZOAXNIJQY-GXSJLCMTSA-N 2 2 288.294 0.745 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2cccc3c2OCCO3)C[C@@H]1O ZINC001206530922 803261950 /nfs/dbraw/zinc/26/19/50/803261950.db2.gz WTAKGZIVMDEMDR-RYUDHWBXSA-N 2 2 264.325 0.209 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2cccc3c2OCCO3)C[C@@H]1O ZINC001206530922 803261951 /nfs/dbraw/zinc/26/19/51/803261951.db2.gz WTAKGZIVMDEMDR-RYUDHWBXSA-N 2 2 264.325 0.209 20 0 CCADLP COC(=O)C1(O)CC[NH+](CC(C)(C)C[NH+](C)C)CC1 ZINC001207289044 803378392 /nfs/dbraw/zinc/37/83/92/803378392.db2.gz ZJDIRGIZXWZUAY-UHFFFAOYSA-N 2 2 272.389 0.574 20 0 CCADLP COCC[NH2+][C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001207923797 803466680 /nfs/dbraw/zinc/46/66/80/803466680.db2.gz CNWQXLYHXVANHA-GFCCVEGCSA-N 2 2 280.372 0.569 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001207924622 803467847 /nfs/dbraw/zinc/46/78/47/803467847.db2.gz PBIPRJCITOSSAT-OLZOCXBDSA-N 2 2 294.399 0.958 20 0 CCADLP COCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001208057213 803484314 /nfs/dbraw/zinc/48/43/14/803484314.db2.gz JNBFXQUBYVUGGA-CHWSQXEVSA-N 2 2 294.399 0.436 20 0 CCADLP COCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001208057213 803484320 /nfs/dbraw/zinc/48/43/20/803484320.db2.gz JNBFXQUBYVUGGA-CHWSQXEVSA-N 2 2 294.399 0.436 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001208299230 803502855 /nfs/dbraw/zinc/50/28/55/803502855.db2.gz LXGOECFWJGWJBW-OCCSQVGLSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001208299230 803502859 /nfs/dbraw/zinc/50/28/59/803502859.db2.gz LXGOECFWJGWJBW-OCCSQVGLSA-N 2 2 294.399 0.958 20 0 CCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1C)[NH+](C)C ZINC001208698590 803538154 /nfs/dbraw/zinc/53/81/54/803538154.db2.gz GAHCQLFREIZWNC-UTUOFQBUSA-N 2 2 259.369 0.733 20 0 CCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1C)[NH+](C)C ZINC001208698590 803538156 /nfs/dbraw/zinc/53/81/56/803538156.db2.gz GAHCQLFREIZWNC-UTUOFQBUSA-N 2 2 259.369 0.733 20 0 CCADLP CCOCC[NH2+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001208849700 803548935 /nfs/dbraw/zinc/54/89/35/803548935.db2.gz XWHSQKKVPWPIJC-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP CC[NH+](CC)C[C@H]1CN(CC[NH+]2CCOCC2)CCO1 ZINC001209295713 803590314 /nfs/dbraw/zinc/59/03/14/803590314.db2.gz CJGWIIISNKYNCD-HNNXBMFYSA-N 2 2 285.432 0.361 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1C ZINC001209350829 803598410 /nfs/dbraw/zinc/59/84/10/803598410.db2.gz GQCLCGQHTUSWFW-DMDPSCGWSA-N 2 2 280.372 0.017 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001209350829 803598414 /nfs/dbraw/zinc/59/84/14/803598414.db2.gz GQCLCGQHTUSWFW-DMDPSCGWSA-N 2 2 280.372 0.017 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[N@H+](CCO)C[C@H]1C ZINC001209350829 803598421 /nfs/dbraw/zinc/59/84/21/803598421.db2.gz GQCLCGQHTUSWFW-DMDPSCGWSA-N 2 2 280.372 0.017 20 0 CCADLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1cncs1 ZINC001209549848 803610469 /nfs/dbraw/zinc/61/04/69/803610469.db2.gz PDMRAKPFYIJYCA-UHFFFAOYSA-N 2 2 254.403 0.822 20 0 CCADLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cncs1 ZINC001209549848 803610471 /nfs/dbraw/zinc/61/04/71/803610471.db2.gz PDMRAKPFYIJYCA-UHFFFAOYSA-N 2 2 254.403 0.822 20 0 CCADLP Nc1cc[nH+]cc1C[N@@H+]1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001209730510 803625724 /nfs/dbraw/zinc/62/57/24/803625724.db2.gz VSXIJWIDMOGKKJ-KOLCDFICSA-N 2 2 255.268 0.960 20 0 CCADLP Nc1cc[nH+]cc1C[N@H+]1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001209730510 803625729 /nfs/dbraw/zinc/62/57/29/803625729.db2.gz VSXIJWIDMOGKKJ-KOLCDFICSA-N 2 2 255.268 0.960 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209835990 803631710 /nfs/dbraw/zinc/63/17/10/803631710.db2.gz HIMRXZTZCPTRNP-RYUDHWBXSA-N 2 2 280.372 0.568 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001210304742 803647110 /nfs/dbraw/zinc/64/71/10/803647110.db2.gz PKDBCOQYLHXKEN-NWDGAFQWSA-N 2 2 280.372 0.568 20 0 CCADLP CCOCC[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001210667531 803657336 /nfs/dbraw/zinc/65/73/36/803657336.db2.gz GZANHQSOFMWDDH-ZDUSSCGKSA-N 2 2 294.399 0.580 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001210849757 803661328 /nfs/dbraw/zinc/66/13/28/803661328.db2.gz RKSYPZGUHWILDP-DGCLKSJQSA-N 2 2 294.399 0.876 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001211450386 803681909 /nfs/dbraw/zinc/68/19/09/803681909.db2.gz XNUJHPKHRIVRDG-MGPQQGTHSA-N 2 2 294.399 0.481 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001211450386 803681912 /nfs/dbraw/zinc/68/19/12/803681912.db2.gz XNUJHPKHRIVRDG-MGPQQGTHSA-N 2 2 294.399 0.481 20 0 CCADLP CCOC(=O)C[N@@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001276703735 803699150 /nfs/dbraw/zinc/69/91/50/803699150.db2.gz QTFLQOLOBHNJSU-QWHCGFSZSA-N 2 2 269.389 0.117 20 0 CCADLP CCOC(=O)C[N@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001276703735 803699154 /nfs/dbraw/zinc/69/91/54/803699154.db2.gz QTFLQOLOBHNJSU-QWHCGFSZSA-N 2 2 269.389 0.117 20 0 CCADLP Nc1cc[nH+]cc1CN1CC2(CC[N@@H+]2CCn2ccnc2)C1 ZINC001276714113 803757360 /nfs/dbraw/zinc/75/73/60/803757360.db2.gz WWAHFTLQLZGXRH-UHFFFAOYSA-N 2 2 298.394 0.651 20 0 CCADLP Nc1cc[nH+]cc1CN1CC2(CC[N@H+]2CCn2ccnc2)C1 ZINC001276714113 803757365 /nfs/dbraw/zinc/75/73/65/803757365.db2.gz WWAHFTLQLZGXRH-UHFFFAOYSA-N 2 2 298.394 0.651 20 0 CCADLP CC[C@H](C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C)OC ZINC001215680644 803822511 /nfs/dbraw/zinc/82/25/11/803822511.db2.gz HBTZOFZLWGLGNN-MRVWCRGKSA-N 2 2 294.399 0.814 20 0 CCADLP CC1CCN(C(=O)NCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000321867184 814968579 /nfs/dbraw/zinc/96/85/79/814968579.db2.gz ZQWUOYPOCGEXOQ-UHFFFAOYSA-N 2 2 268.405 0.851 20 0 CCADLP CCOCCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001216066023 803833325 /nfs/dbraw/zinc/83/33/25/803833325.db2.gz XVPKQFBUJLOLHW-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404270532 803849558 /nfs/dbraw/zinc/84/95/58/803849558.db2.gz KGQHVPOWLBXCTG-KKUMJFAQSA-N 3 2 287.448 0.375 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404270532 803849567 /nfs/dbraw/zinc/84/95/67/803849567.db2.gz KGQHVPOWLBXCTG-KKUMJFAQSA-N 3 2 287.448 0.375 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404270532 803849576 /nfs/dbraw/zinc/84/95/76/803849576.db2.gz KGQHVPOWLBXCTG-KKUMJFAQSA-N 3 2 287.448 0.375 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404270532 803849584 /nfs/dbraw/zinc/84/95/84/803849584.db2.gz KGQHVPOWLBXCTG-KKUMJFAQSA-N 3 2 287.448 0.375 20 0 CCADLP C[C@@H]1C[NH+](CCc2nnc([C@@H]3C[C@@H](O)C[NH2+]3)o2)C[C@@H](C)O1 ZINC001217696071 803902265 /nfs/dbraw/zinc/90/22/65/803902265.db2.gz ZBQZVJBDGTWLTG-KKOKHZNYSA-N 2 2 296.371 0.117 20 0 CCADLP [NH3+][C@@H](CN1CCC([NH3+])CC1)c1nnc(C2CCC2)o1 ZINC001217758102 803911832 /nfs/dbraw/zinc/91/18/32/803911832.db2.gz WJCKKGXYWOWEAY-NSHDSACASA-N 2 2 265.361 0.760 20 0 CCADLP [NH3+][C@H](CN1CCC([NH3+])CC1)c1nnc(C2CCOCC2)o1 ZINC001217757553 803912359 /nfs/dbraw/zinc/91/23/59/803912359.db2.gz NTZQJNYYXFSSPZ-GFCCVEGCSA-N 2 2 295.387 0.387 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OC[C@H]2C[C@@H]3CC[NH2+]C[C@@H]3O2)C[N@@H+]1C ZINC001217887698 803924061 /nfs/dbraw/zinc/92/40/61/803924061.db2.gz JFHRHFPLJXXFSB-ZSLBOAEBSA-N 2 2 298.383 0.016 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OC[C@H]2C[C@@H]3CC[NH2+]C[C@@H]3O2)C[N@H+]1C ZINC001217887698 803924071 /nfs/dbraw/zinc/92/40/71/803924071.db2.gz JFHRHFPLJXXFSB-ZSLBOAEBSA-N 2 2 298.383 0.016 20 0 CCADLP O=C(Nc1cccc2[nH+]ccn21)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218498060 803964218 /nfs/dbraw/zinc/96/42/18/803964218.db2.gz RJKCIHMDEUZCTD-JTQLQIEISA-N 3 2 271.324 0.082 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cnc2c(c1)COCC2 ZINC001218500495 803965762 /nfs/dbraw/zinc/96/57/62/803965762.db2.gz BUEIFALNKDPFDB-GFCCVEGCSA-N 2 2 287.323 0.386 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccncc1Oc1ccccc1 ZINC001218511629 803977418 /nfs/dbraw/zinc/97/74/18/803977418.db2.gz KZORNHYRMREGGX-STQMWFEESA-N 2 2 298.346 0.781 20 0 CCADLP Cc1cc(F)ncc1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218548415 804000570 /nfs/dbraw/zinc/00/05/70/804000570.db2.gz IIMBFDJPGJBFFE-UHFFFAOYSA-N 2 2 266.320 0.809 20 0 CCADLP Cc1ccc(O)c(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)n1 ZINC001218565360 804011760 /nfs/dbraw/zinc/01/17/60/804011760.db2.gz VEMBLTMIOLPUOY-JTQLQIEISA-N 2 2 275.312 0.338 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cc(-c3ccncc3)c[nH]c2=O)C1 ZINC001218604092 804030069 /nfs/dbraw/zinc/03/00/69/804030069.db2.gz WORQBXFBAPMJRM-NEPJUHHUSA-N 2 2 299.334 0.477 20 0 CCADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)Nc1ccc[nH]c1=S ZINC001218621600 804039638 /nfs/dbraw/zinc/03/96/38/804039638.db2.gz KDDOMOBLBPXLOQ-JTQLQIEISA-N 2 2 295.412 0.059 20 0 CCADLP COC(=O)c1c(C)scc1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218666614 804072052 /nfs/dbraw/zinc/07/20/52/804072052.db2.gz BYZLHVUZTWFHFU-UHFFFAOYSA-N 2 2 297.380 0.863 20 0 CCADLP Cc1cc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)cc(=O)o1 ZINC001218681357 804079470 /nfs/dbraw/zinc/07/94/70/804079470.db2.gz BZQXZDRJDSJWMA-JTQLQIEISA-N 2 2 262.269 0.180 20 0 CCADLP Nc1cnc(N(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C2CCCC2)nc1 ZINC001218754058 804111202 /nfs/dbraw/zinc/11/12/02/804111202.db2.gz NYKHDWWUQLVILG-SKDRFNHKSA-N 2 2 290.371 0.024 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1cnn(C(F)F)c1 ZINC001218772513 804118243 /nfs/dbraw/zinc/11/82/43/804118243.db2.gz FBCZHNOCPRJWRN-UHFFFAOYSA-N 2 2 273.287 0.558 20 0 CCADLP COCCCN(C(=O)[C@@H]([NH3+])CC[NH3+])c1ccccc1N ZINC001219278125 804254871 /nfs/dbraw/zinc/25/48/71/804254871.db2.gz IVLGWSLDEQUPNO-LBPRGKRZSA-N 2 2 280.372 0.314 20 0 CCADLP COCCNc1cccc(F)c1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001219298087 804260929 /nfs/dbraw/zinc/26/09/29/804260929.db2.gz ZKIQPQFYBKWOSP-JTQLQIEISA-N 2 2 284.335 0.499 20 0 CCADLP COC(=O)c1cc(C)c(C)c(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c1 ZINC001219402649 804301457 /nfs/dbraw/zinc/30/14/57/804301457.db2.gz PSRGIXJONPRZRO-RYUDHWBXSA-N 2 2 291.351 0.575 20 0 CCADLP CCOC(=O)c1cc(N)cc(NC(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)c1 ZINC001219524458 804335623 /nfs/dbraw/zinc/33/56/23/804335623.db2.gz NRJPWLQMPGQQSH-JQWIXIFHSA-N 2 2 292.339 0.073 20 0 CCADLP Cc1cccnc1CNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001219564314 804352852 /nfs/dbraw/zinc/35/28/52/804352852.db2.gz XVADOTNMFUDXHD-GYSYKLTISA-N 2 2 260.341 0.228 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCCc2c(F)cccc2Cl)C1 ZINC001219569179 804353290 /nfs/dbraw/zinc/35/32/90/804353290.db2.gz FPSJMKLZOLYDAA-PELKAZGASA-N 2 2 285.750 0.827 20 0 CCADLP C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)c1ccncc1 ZINC001219600220 804368804 /nfs/dbraw/zinc/36/88/04/804368804.db2.gz LPDLCSYRWKWUKL-SUHUHFCYSA-N 2 2 260.341 0.210 20 0 CCADLP CCC(CC)CNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001219601907 804371123 /nfs/dbraw/zinc/37/11/23/804371123.db2.gz ZUIQCQRWUWIARN-ZDUSSCGKSA-N 2 2 270.421 0.289 20 0 CCADLP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001219642605 804388348 /nfs/dbraw/zinc/38/83/48/804388348.db2.gz VQDRUPPJOUARAQ-RWMBFGLXSA-N 2 2 276.384 0.807 20 0 CCADLP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)C1 ZINC001219663763 804397085 /nfs/dbraw/zinc/39/70/85/804397085.db2.gz QWBDDLUIBFHDDP-SLEUVZQESA-N 3 2 290.411 0.621 20 0 CCADLP CCOC(=O)CCNC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001219692577 804404935 /nfs/dbraw/zinc/40/49/35/804404935.db2.gz DQPLVOXRDUCFTD-GFCCVEGCSA-N 2 2 279.340 0.328 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)c1nc2ccccc2[nH]1 ZINC001219701783 804409253 /nfs/dbraw/zinc/40/92/53/804409253.db2.gz QCOFOGFHMYGRQC-LNLATYFQSA-N 2 2 273.340 0.429 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1Cc2ccccc2O1 ZINC001219923595 804448962 /nfs/dbraw/zinc/44/89/62/804448962.db2.gz SSRVWEAZXNMZFS-OLZOCXBDSA-N 2 2 286.335 0.399 20 0 CCADLP Cn1c(CNC(=O)C2([NH3+])CC[NH2+]CC2)cc2ccccc21 ZINC001219934763 804451129 /nfs/dbraw/zinc/45/11/29/804451129.db2.gz LXUFEYSWKHAFCQ-UHFFFAOYSA-N 2 2 286.379 0.875 20 0 CCADLP O=C(NCCOc1ccccc1F)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219936911 804451407 /nfs/dbraw/zinc/45/14/07/804451407.db2.gz YTSJOHLVSFEMMQ-IAQYHMDHSA-N 2 2 293.342 0.272 20 0 CCADLP O=C(NCc1ccc2n[nH]cc2c1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220025017 804476158 /nfs/dbraw/zinc/47/61/58/804476158.db2.gz HADLQZSOJZSCPG-SWLSCSKDSA-N 2 2 285.351 0.131 20 0 CCADLP [NH3+]CCCC[C@H]([NH3+])CC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC001220188745 804531732 /nfs/dbraw/zinc/53/17/32/804531732.db2.gz HDBUKRKEKRFPLB-MNOVXSKESA-N 3 2 292.374 0.194 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCC(=O)c2c[nH]c3ccccc32)C1 ZINC001220197490 804533878 /nfs/dbraw/zinc/53/38/78/804533878.db2.gz GHIPUTUAXNVNQR-RNCFNFMXSA-N 2 2 286.335 0.156 20 0 CCADLP CC[C@H](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220240472 804547267 /nfs/dbraw/zinc/54/72/67/804547267.db2.gz LQFROAMDYVGIMM-PJSNJIKXSA-N 2 2 253.390 0.877 20 0 CCADLP C[C@H](CCCC(C)(C)O)NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220243696 804548391 /nfs/dbraw/zinc/54/83/91/804548391.db2.gz WOHHTRNMNUVIGS-XUJVJEKNSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C1(F)C[NH2+]C1 ZINC001220331743 804577127 /nfs/dbraw/zinc/57/71/27/804577127.db2.gz CEUQFVPLFLMRTG-LLVKDONJSA-N 2 2 257.353 0.535 20 0 CCADLP C[C@@H]([NH3+])C(=O)N(CC(C)(C)[NH3+])S(=O)(=O)c1ccccc1 ZINC001220536206 804622091 /nfs/dbraw/zinc/62/20/91/804622091.db2.gz YUCAVIGYVYFNHW-SNVBAGLBSA-N 2 2 299.396 0.288 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCOc1ccccc1 ZINC001220562955 804623504 /nfs/dbraw/zinc/62/35/04/804623504.db2.gz JYWMOLUUIMUIDP-ZDUSSCGKSA-N 2 2 274.324 0.443 20 0 CCADLP COC(=O)C[C@@H](NC(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)C1CCCCC1 ZINC001220731206 804658038 /nfs/dbraw/zinc/65/80/38/804658038.db2.gz HQNQDJKEZBVLSW-XQQFMLRXSA-N 2 2 297.399 0.304 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC1(C(F)(F)F)CC1 ZINC001220838254 804678782 /nfs/dbraw/zinc/67/87/82/804678782.db2.gz HENCDLLEUPDPHF-QMMMGPOBSA-N 2 2 276.262 0.501 20 0 CCADLP COC(=O)[C@@H]1C[C@H]1CNC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220881708 804688873 /nfs/dbraw/zinc/68/88/73/804688873.db2.gz NNVHRFQGGUUNFX-YNEHKIRRSA-N 2 2 291.351 0.184 20 0 CCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CC2(C[NH2+]C2)C1 ZINC001220934369 804701940 /nfs/dbraw/zinc/70/19/40/804701940.db2.gz OMOBCFGMSMQCLV-CYBMUJFWSA-N 2 2 286.379 0.776 20 0 CCADLP COc1ncccc1[C@@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C1CC1 ZINC001221022286 804721960 /nfs/dbraw/zinc/72/19/60/804721960.db2.gz WPCCRCMLBZGKOM-WXHSDQCUSA-N 2 2 290.367 0.347 20 0 CCADLP O=C(NC[C@H]1CCCC(F)(F)C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001221162017 804737032 /nfs/dbraw/zinc/73/70/32/804737032.db2.gz JHCJEJKVDCMWBL-FIQHERPVSA-N 2 2 287.354 0.878 20 0 CCADLP CCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001221154174 804737618 /nfs/dbraw/zinc/73/76/18/804737618.db2.gz FLCFVIZMCYSQAY-OLZOCXBDSA-N 2 2 280.372 0.235 20 0 CCADLP CCC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001221154174 804737621 /nfs/dbraw/zinc/73/76/21/804737621.db2.gz FLCFVIZMCYSQAY-OLZOCXBDSA-N 2 2 280.372 0.235 20 0 CCADLP CC/C=C/CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221164503 804738841 /nfs/dbraw/zinc/73/88/41/804738841.db2.gz JCRLBUGCHSMCBU-JKWAOEONSA-N 2 2 292.383 0.401 20 0 CCADLP CC/C=C/CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221164503 804738846 /nfs/dbraw/zinc/73/88/46/804738846.db2.gz JCRLBUGCHSMCBU-JKWAOEONSA-N 2 2 292.383 0.401 20 0 CCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)NCC2(Cc3ccccc3F)CC2)C1 ZINC001221172945 804740941 /nfs/dbraw/zinc/74/09/41/804740941.db2.gz UBGRYBZNKSVKKT-JSGCOSHPSA-N 2 2 291.370 0.954 20 0 CCADLP Cc1cccc([C@@H](CO)NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)c1 ZINC001221192129 804741903 /nfs/dbraw/zinc/74/19/03/804741903.db2.gz GTVNREPUSJKTMH-UONOGXRCSA-N 2 2 288.351 0.438 20 0 CCADLP C[N@@H+]1CCc2nc(C(=O)NCCCC[NH3+])sc2C1 ZINC001221347505 804785829 /nfs/dbraw/zinc/78/58/29/804785829.db2.gz XEFUQGNSOGKNKC-UHFFFAOYSA-N 2 2 268.386 0.600 20 0 CCADLP C[N@H+]1CCc2nc(C(=O)NCCCC[NH3+])sc2C1 ZINC001221347505 804785836 /nfs/dbraw/zinc/78/58/36/804785836.db2.gz XEFUQGNSOGKNKC-UHFFFAOYSA-N 2 2 268.386 0.600 20 0 CCADLP Cc1cc(CN2CC[NH2+]C3(CC[NH2+]CC3)C2)nn1C ZINC001222091549 804865365 /nfs/dbraw/zinc/86/53/65/804865365.db2.gz WWUNWGXHFQBRTQ-UHFFFAOYSA-N 2 2 263.389 0.256 20 0 CCADLP CC(C)C[NH2+]CCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001272189470 815041354 /nfs/dbraw/zinc/04/13/54/815041354.db2.gz HOVPQSNUKZSISR-CHWSQXEVSA-N 2 2 294.399 0.580 20 0 CCADLP CC(C)C[NH2+]CCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001272189470 815041361 /nfs/dbraw/zinc/04/13/61/815041361.db2.gz HOVPQSNUKZSISR-CHWSQXEVSA-N 2 2 294.399 0.580 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC1CC[NH+](CCO)CC1 ZINC001223900988 804996071 /nfs/dbraw/zinc/99/60/71/804996071.db2.gz RWKGBMDVHCVRQO-UHFFFAOYSA-N 2 2 294.399 0.173 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1CC[NH+](CCO)CC1 ZINC001224787687 805076250 /nfs/dbraw/zinc/07/62/50/805076250.db2.gz IFRSXMOPXMVXHQ-LBPRGKRZSA-N 2 2 294.399 0.409 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1CC[NH+](CCO)CC1 ZINC001224787687 805076259 /nfs/dbraw/zinc/07/62/59/805076259.db2.gz IFRSXMOPXMVXHQ-LBPRGKRZSA-N 2 2 294.399 0.409 20 0 CCADLP C[N@@H+]1[C@@H]2C[C@H](OCCC[NH+]3CCOCC3)[C@H]1CC(=O)C2 ZINC001224867058 805085841 /nfs/dbraw/zinc/08/58/41/805085841.db2.gz LGSPCRIOFBEHLL-CFVMTHIKSA-N 2 2 282.384 0.530 20 0 CCADLP C[N@H+]1[C@@H]2C[C@H](OCCC[NH+]3CCOCC3)[C@H]1CC(=O)C2 ZINC001224867058 805085850 /nfs/dbraw/zinc/08/58/50/805085850.db2.gz LGSPCRIOFBEHLL-CFVMTHIKSA-N 2 2 282.384 0.530 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OCCCC[NH+](C)C)C[N@@H+]1C ZINC001224991002 805097137 /nfs/dbraw/zinc/09/71/37/805097137.db2.gz KYMLLSJJLLCQNJ-NEPJUHHUSA-N 2 2 258.362 0.591 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OCCCC[NH+](C)C)C[N@H+]1C ZINC001224991002 805097143 /nfs/dbraw/zinc/09/71/43/805097143.db2.gz KYMLLSJJLLCQNJ-NEPJUHHUSA-N 2 2 258.362 0.591 20 0 CCADLP O[C@@H](C[NH2+][C@H]1CCC[NH2+]C1)COCc1ccccc1 ZINC001245984468 807106917 /nfs/dbraw/zinc/10/69/17/807106917.db2.gz XORCOOBZOIVODL-GJZGRUSLSA-N 2 2 264.369 0.906 20 0 CCADLP C[C@@]1([NH3+])CC[N@H+](C[C@H](O)COCc2ccco2)C1 ZINC001246015846 807117733 /nfs/dbraw/zinc/11/77/33/807117733.db2.gz XZWMVMVQOBYCFX-WCQYABFASA-N 2 2 254.330 0.580 20 0 CCADLP C[C@@]1([NH3+])CC[N@@H+](C[C@H](O)COCc2ccco2)C1 ZINC001246015846 807117736 /nfs/dbraw/zinc/11/77/36/807117736.db2.gz XZWMVMVQOBYCFX-WCQYABFASA-N 2 2 254.330 0.580 20 0 CCADLP C[C@H]([NH3+])C[N@H+](C)C[C@@H](O)COCC(F)(F)C(F)F ZINC001246060516 807137679 /nfs/dbraw/zinc/13/76/79/807137679.db2.gz USQWROXAOFUYGT-JGVFFNPUSA-N 2 2 276.274 0.543 20 0 CCADLP C[C@H]([NH3+])C[N@@H+](C)C[C@@H](O)COCC(F)(F)C(F)F ZINC001246060516 807137682 /nfs/dbraw/zinc/13/76/82/807137682.db2.gz USQWROXAOFUYGT-JGVFFNPUSA-N 2 2 276.274 0.543 20 0 CCADLP CC[C@H]([NH3+])C[N@H+](C)C[C@H](O)COCc1ccco1 ZINC001246066612 807140293 /nfs/dbraw/zinc/14/02/93/807140293.db2.gz KZBJMKUXNPXKIW-RYUDHWBXSA-N 2 2 256.346 0.826 20 0 CCADLP CC[C@H]([NH3+])C[N@@H+](C)C[C@H](O)COCc1ccco1 ZINC001246066612 807140296 /nfs/dbraw/zinc/14/02/96/807140296.db2.gz KZBJMKUXNPXKIW-RYUDHWBXSA-N 2 2 256.346 0.826 20 0 CCADLP CCOC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)CO1 ZINC001246084605 807146712 /nfs/dbraw/zinc/14/67/12/807146712.db2.gz KVVFGESBEUMFPV-WUHRBBMRSA-N 2 2 270.373 0.827 20 0 CCADLP F[C@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001246107506 807155108 /nfs/dbraw/zinc/15/51/08/807155108.db2.gz HCRMCSMIOWCTHW-WYUUTHIRSA-N 2 2 268.340 0.446 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[NH2+]C[C@H]1CC[C@@H](C)C[NH2+]1 ZINC001246110254 807155658 /nfs/dbraw/zinc/15/56/58/807155658.db2.gz HULYXLJJRNHSBU-MGPQQGTHSA-N 2 2 283.416 0.602 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)CO1 ZINC001246119953 807159596 /nfs/dbraw/zinc/15/95/96/807159596.db2.gz YEVRJLZQUCSMHV-LPWJVIDDSA-N 2 2 270.373 0.685 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N[C@@H]2C[NH2+]Cc3ccsc32)C[NH2+]1 ZINC001246140988 807163639 /nfs/dbraw/zinc/16/36/39/807163639.db2.gz JBSIAKGRBIWDIL-OUAUKWLOSA-N 2 2 281.381 0.386 20 0 CCADLP CCC[NH+](CCC)CCN[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246162954 807172538 /nfs/dbraw/zinc/17/25/38/807172538.db2.gz SPXCUZSBFASFIS-STQMWFEESA-N 2 2 271.405 0.602 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCC[NH2+]2)CN1 ZINC001246175899 807176326 /nfs/dbraw/zinc/17/63/26/807176326.db2.gz GWWSPFJQPXPKPJ-UTUOFQBUSA-N 2 2 255.362 0.012 20 0 CCADLP O=C(C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)OCc1ccccc1 ZINC001246177876 807178247 /nfs/dbraw/zinc/17/82/47/807178247.db2.gz KJQWHURBXYMEGU-CQSZACIVSA-N 2 2 289.379 0.413 20 0 CCADLP COC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246178816 807178336 /nfs/dbraw/zinc/17/83/36/807178336.db2.gz OIVBVVBUJKCCMP-NEPJUHHUSA-N 2 2 269.389 0.258 20 0 CCADLP C[C@H]1CC[C@H]([NH2+]CC2(N(C)C)CC[NH+](C)CC2)C[NH2+]1 ZINC001246181712 807178882 /nfs/dbraw/zinc/17/88/82/807178882.db2.gz XCWYZIJWAZJLMF-KBPBESRZSA-N 3 2 268.449 0.743 20 0 CCADLP CC(C)[NH+]1CCC([NH2+]C2CN(C3CC[NH2+]CC3)C2)CC1 ZINC001246216170 807188946 /nfs/dbraw/zinc/18/89/46/807188946.db2.gz XJXMSYOBJBHYFW-UHFFFAOYSA-N 3 2 280.460 0.885 20 0 CCADLP CO[C@H]1C[NH2+]C[C@@H]1[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246237771 807195642 /nfs/dbraw/zinc/19/56/42/807195642.db2.gz CDZGIAOKMLODSK-GQKFXUNGSA-N 3 2 267.417 0.875 20 0 CCADLP OC[C@H]1C[NH2+]C[C@@H]1[NH2+]C1CCN(c2ccc(F)cc2)CC1 ZINC001246296716 807212083 /nfs/dbraw/zinc/21/20/83/807212083.db2.gz CFCSXHNTOINHQJ-WBMJQRKESA-N 2 2 293.386 0.964 20 0 CCADLP COc1cccc2c1CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@@H]1CO)C2 ZINC001246296772 807212722 /nfs/dbraw/zinc/21/27/22/807212722.db2.gz CKJVYDPMBOGVOU-VNHYZAJKSA-N 2 2 276.380 0.722 20 0 CCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246334254 807225665 /nfs/dbraw/zinc/22/56/65/807225665.db2.gz PWMQURBUYVDGKM-MDZLAQPJSA-N 2 2 280.372 0.234 20 0 CCADLP CCCC[C@@H]1C[C@@H]([NH2+]CCN2CC[NH2+]CC2=O)CC[NH2+]1 ZINC001246355146 807232571 /nfs/dbraw/zinc/23/25/71/807232571.db2.gz JDBUSIDEGORCIC-KGLIPLIRSA-N 3 2 282.432 0.319 20 0 CCADLP CC(C)(C)C(=O)N1CC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC001246363838 807235301 /nfs/dbraw/zinc/23/53/01/807235301.db2.gz ZHCWSIKYFVZZSU-VXGBXAGGSA-N 2 2 253.390 0.975 20 0 CCADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246470632 807258723 /nfs/dbraw/zinc/25/87/23/807258723.db2.gz QPDQXPJIXGYION-BZPMIXESSA-N 2 2 294.399 0.624 20 0 CCADLP CC[NH+](CC)CCN1CC[NH+](C2CC[NH2+]CC2)CC1 ZINC001246529255 807275681 /nfs/dbraw/zinc/27/56/81/807275681.db2.gz JKRRKBHFFYFDGC-UHFFFAOYSA-N 3 2 268.449 0.698 20 0 CCADLP C[C@@H]1CC[N@@H+]([C@H]2CN[C@H](C(=O)OC(C)(C)C)C2)C[C@@H]1C[NH3+] ZINC001246552983 807284623 /nfs/dbraw/zinc/28/46/23/807284623.db2.gz QZCUZMKZTJUMGF-RQJABVFESA-N 2 2 297.443 0.975 20 0 CCADLP C[C@@H]1CC[N@H+]([C@H]2CN[C@H](C(=O)OC(C)(C)C)C2)C[C@@H]1C[NH3+] ZINC001246552983 807284626 /nfs/dbraw/zinc/28/46/26/807284626.db2.gz QZCUZMKZTJUMGF-RQJABVFESA-N 2 2 297.443 0.975 20 0 CCADLP CCOC(=O)C1CCC([N@@H+]2C[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246555992 807286681 /nfs/dbraw/zinc/28/66/81/807286681.db2.gz GZGCAZATONVDJA-KIDURHIOSA-N 2 2 256.346 0.112 20 0 CCADLP CCOC(=O)C1CCC([N@H+]2C[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246555992 807286686 /nfs/dbraw/zinc/28/66/86/807286686.db2.gz GZGCAZATONVDJA-KIDURHIOSA-N 2 2 256.346 0.112 20 0 CCADLP [NH3+][C@@H]1C[N@@H+](C2CCN(CC(F)(F)F)CC2)C[C@H]1O ZINC001246558186 807288290 /nfs/dbraw/zinc/28/82/90/807288290.db2.gz OZHOKXHYZPTIFZ-NXEZZACHSA-N 2 2 267.295 0.017 20 0 CCADLP [NH3+][C@@H]1C[N@H+](C2CCN(CC(F)(F)F)CC2)C[C@H]1O ZINC001246558186 807288293 /nfs/dbraw/zinc/28/82/93/807288293.db2.gz OZHOKXHYZPTIFZ-NXEZZACHSA-N 2 2 267.295 0.017 20 0 CCADLP CS(=O)(=O)N1CCC([N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246593057 807314148 /nfs/dbraw/zinc/31/41/48/807314148.db2.gz WFRQQRBLXDPHFE-NWDGAFQWSA-N 2 2 293.408 0.172 20 0 CCADLP CS(=O)(=O)N1CCC([N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246593057 807314157 /nfs/dbraw/zinc/31/41/57/807314157.db2.gz WFRQQRBLXDPHFE-NWDGAFQWSA-N 2 2 293.408 0.172 20 0 CCADLP C[C@H]1CC[C@@H]([N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)C[NH2+]1 ZINC001246630687 807335544 /nfs/dbraw/zinc/33/55/44/807335544.db2.gz KQSKAGMXBGUEEC-REWJHTLYSA-N 3 2 253.390 0.437 20 0 CCADLP C[C@H]1CC[C@@H]([N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)C[NH2+]1 ZINC001246630687 807335552 /nfs/dbraw/zinc/33/55/52/807335552.db2.gz KQSKAGMXBGUEEC-REWJHTLYSA-N 3 2 253.390 0.437 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)CN1 ZINC001246692776 807355479 /nfs/dbraw/zinc/35/54/79/807355479.db2.gz OOSGPKOKJYLNED-RMRHIDDWSA-N 2 2 299.390 0.304 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@]3(C2)C[NH2+]CC[C@H]3F)CN1 ZINC001246692776 807355489 /nfs/dbraw/zinc/35/54/89/807355489.db2.gz OOSGPKOKJYLNED-RMRHIDDWSA-N 2 2 299.390 0.304 20 0 CCADLP CC[N@@H+]1CCO[C@@H]2C[NH+]([C@H]3CC[NH2+][C@@H](C)C3)C[C@@H]2C1 ZINC001246755925 807370676 /nfs/dbraw/zinc/37/06/76/807370676.db2.gz UPELUFHXOPCOSX-ZQDZILKHSA-N 3 2 267.417 0.779 20 0 CCADLP CC[N@H+]1CCO[C@@H]2C[NH+]([C@H]3CC[NH2+][C@@H](C)C3)C[C@@H]2C1 ZINC001246755925 807370684 /nfs/dbraw/zinc/37/06/84/807370684.db2.gz UPELUFHXOPCOSX-ZQDZILKHSA-N 3 2 267.417 0.779 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@@H+]([C@H]3CC[NH2+][C@@H](C)C3)C[C@@H]2C1 ZINC001246755925 807370692 /nfs/dbraw/zinc/37/06/92/807370692.db2.gz UPELUFHXOPCOSX-ZQDZILKHSA-N 3 2 267.417 0.779 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@H+]([C@H]3CC[NH2+][C@@H](C)C3)C[C@@H]2C1 ZINC001246755925 807370700 /nfs/dbraw/zinc/37/07/00/807370700.db2.gz UPELUFHXOPCOSX-ZQDZILKHSA-N 3 2 267.417 0.779 20 0 CCADLP CCOC(=O)[C@]12C[N@@H+]([C@@H]3CCCC[NH2+]C3)C[C@H]1C[NH2+]CC2 ZINC001246855635 807407718 /nfs/dbraw/zinc/40/77/18/807407718.db2.gz AIXOVLMJVXMPPK-IIAWOOMASA-N 3 2 295.427 0.603 20 0 CCADLP CCOC(=O)[C@]12C[N@H+]([C@@H]3CCCC[NH2+]C3)C[C@H]1C[NH2+]CC2 ZINC001246855635 807407721 /nfs/dbraw/zinc/40/77/21/807407721.db2.gz AIXOVLMJVXMPPK-IIAWOOMASA-N 3 2 295.427 0.603 20 0 CCADLP CCOC(=O)C1(N)CC[NH+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246867151 807414623 /nfs/dbraw/zinc/41/46/23/807414623.db2.gz GJDYVWCNGRNIKX-FUNVUKJBSA-N 2 2 281.400 0.626 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C[C@@H]1[NH3+] ZINC001246929985 807431328 /nfs/dbraw/zinc/43/13/28/807431328.db2.gz JBZGWLKLIRIPQS-GUIRCDHDSA-N 3 2 281.400 0.341 20 0 CCADLP COC(=O)[C@@H]1C[N@H+]([C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)C[C@@H]1[NH3+] ZINC001246929985 807431331 /nfs/dbraw/zinc/43/13/31/807431331.db2.gz JBZGWLKLIRIPQS-GUIRCDHDSA-N 3 2 281.400 0.341 20 0 CCADLP CCOC(=O)[C@@H]1C[N@@H+]([C@@H]2CCCC[NH2+]C2)CCC12C[NH2+]C2 ZINC001247009141 807453043 /nfs/dbraw/zinc/45/30/43/807453043.db2.gz ONADYNBEAGBVNY-KGLIPLIRSA-N 3 2 295.427 0.603 20 0 CCADLP CCOC(=O)[C@@H]1C[N@H+]([C@@H]2CCCC[NH2+]C2)CCC12C[NH2+]C2 ZINC001247009141 807453046 /nfs/dbraw/zinc/45/30/46/807453046.db2.gz ONADYNBEAGBVNY-KGLIPLIRSA-N 3 2 295.427 0.603 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1C2CCC1(CO)CC2)C1CC1 ZINC000723014392 807532242 /nfs/dbraw/zinc/53/22/42/807532242.db2.gz ZZVYQUTZMKLOJL-ROKHWSDSSA-N 2 2 254.374 0.431 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1C2CCC1(CO)CC2)C1CC1 ZINC000723014392 807532246 /nfs/dbraw/zinc/53/22/46/807532246.db2.gz ZZVYQUTZMKLOJL-ROKHWSDSSA-N 2 2 254.374 0.431 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1C2CCC1(CO)CC2)C1CC1 ZINC000723014392 807532249 /nfs/dbraw/zinc/53/22/49/807532249.db2.gz ZZVYQUTZMKLOJL-ROKHWSDSSA-N 2 2 254.374 0.431 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1C2CCC1(CO)CC2)C1CC1 ZINC000723014392 807532252 /nfs/dbraw/zinc/53/22/52/807532252.db2.gz ZZVYQUTZMKLOJL-ROKHWSDSSA-N 2 2 254.374 0.431 20 0 CCADLP COc1cccc(-c2noc(C[C@@H]([NH3+])C[NH3+])n2)c1F ZINC001249128827 807544711 /nfs/dbraw/zinc/54/47/11/807544711.db2.gz GKBPFMXXJKDCAR-SSDOTTSWSA-N 2 2 266.276 0.713 20 0 CCADLP COc1cc(Cl)cnc1-c1noc(C[C@@H]([NH3+])C[NH3+])n1 ZINC001249128752 807544826 /nfs/dbraw/zinc/54/48/26/807544826.db2.gz NKEBKEXSKBRVCJ-SSDOTTSWSA-N 2 2 283.719 0.622 20 0 CCADLP CCOc1cccc(-c2noc(C[C@@H]([NH3+])C[NH3+])n2)c1 ZINC001249129610 807544946 /nfs/dbraw/zinc/54/49/46/807544946.db2.gz OOQNMXKNCPXIJJ-SNVBAGLBSA-N 2 2 262.313 0.964 20 0 CCADLP [NH3+]C[C@H]([NH3+])Cc1nc(-c2cccn3ccnc23)no1 ZINC001249129664 807545218 /nfs/dbraw/zinc/54/52/18/807545218.db2.gz ZEWJRZKFBLLNMN-MRVPVSSYSA-N 2 2 258.285 0.213 20 0 CCADLP CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001075962417 815129286 /nfs/dbraw/zinc/12/92/86/815129286.db2.gz JYSIRWUCDIMHGV-VNHYZAJKSA-N 2 2 288.395 0.998 20 0 CCADLP CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001075962417 815129290 /nfs/dbraw/zinc/12/92/90/815129290.db2.gz JYSIRWUCDIMHGV-VNHYZAJKSA-N 2 2 288.395 0.998 20 0 CCADLP Cc1cc(NC[C@H](O)C[NH+]2CCOCC2)c2cc[nH]c2[nH+]1 ZINC001251006725 807638243 /nfs/dbraw/zinc/63/82/43/807638243.db2.gz OWXGSRFGKLVJQO-LBPRGKRZSA-N 2 2 290.367 0.928 20 0 CCADLP CC(C)[N@@H+]1CCN(C[C@@H](O)C[NH+]2CCOCC2)C[C@@H]1C ZINC001251022955 807644887 /nfs/dbraw/zinc/64/48/87/807644887.db2.gz JJQQMLGUCMGHCJ-GJZGRUSLSA-N 2 2 285.432 0.094 20 0 CCADLP CC(C)[N@H+]1CCN(C[C@@H](O)C[NH+]2CCOCC2)C[C@@H]1C ZINC001251022955 807644890 /nfs/dbraw/zinc/64/48/90/807644890.db2.gz JJQQMLGUCMGHCJ-GJZGRUSLSA-N 2 2 285.432 0.094 20 0 CCADLP CCOC[C@@H](O)C[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001252029762 807767892 /nfs/dbraw/zinc/76/78/92/807767892.db2.gz VDZOJDAFJDIBCT-AWEZNQCLSA-N 2 2 256.390 0.942 20 0 CCADLP CCOC[C@@H](O)C[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001252029762 807767895 /nfs/dbraw/zinc/76/78/95/807767895.db2.gz VDZOJDAFJDIBCT-AWEZNQCLSA-N 2 2 256.390 0.942 20 0 CCADLP COCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC001278673991 807919080 /nfs/dbraw/zinc/91/90/80/807919080.db2.gz YBIXKCQEZHLSPM-GFCCVEGCSA-N 2 2 280.372 0.425 20 0 CCADLP CN1CC([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001252943875 807987571 /nfs/dbraw/zinc/98/75/71/807987571.db2.gz NLUYKGVVBMDETG-MRXNPFEDSA-N 2 2 275.396 0.527 20 0 CCADLP CN1CC([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001252943875 807987574 /nfs/dbraw/zinc/98/75/74/807987574.db2.gz NLUYKGVVBMDETG-MRXNPFEDSA-N 2 2 275.396 0.527 20 0 CCADLP O[C@]1(C[NH2+]CC2(F)COC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252944669 807988492 /nfs/dbraw/zinc/98/84/92/807988492.db2.gz UEFBPNIXGOADMK-INIZCTEOSA-N 2 2 294.370 0.952 20 0 CCADLP O[C@]1(C[NH2+]CC2(F)COC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252944669 807988497 /nfs/dbraw/zinc/98/84/97/807988497.db2.gz UEFBPNIXGOADMK-INIZCTEOSA-N 2 2 294.370 0.952 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH+]1CCC(N2CC(F)C2)CC1 ZINC001253187451 808022886 /nfs/dbraw/zinc/02/28/86/808022886.db2.gz DZSJZVXPPXLMBJ-HNNXBMFYSA-N 2 2 287.423 0.807 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@@H](c2nc(C)no2)C1 ZINC001253188297 808023102 /nfs/dbraw/zinc/02/31/02/808023102.db2.gz VCFIZTNEGBBHMJ-OLZOCXBDSA-N 2 2 282.388 0.870 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@@H](c2nc(C)no2)C1 ZINC001253188297 808023109 /nfs/dbraw/zinc/02/31/09/808023109.db2.gz VCFIZTNEGBBHMJ-OLZOCXBDSA-N 2 2 282.388 0.870 20 0 CCADLP CC[C@H](C)[C@H]([NH2+]C[C@@H](O)C[NH+](CC)CC)C(N)=O ZINC001253207291 808031438 /nfs/dbraw/zinc/03/14/38/808031438.db2.gz DFTWCMKKEYIVCC-TUAOUCFPSA-N 2 2 259.394 0.179 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+]CCOc1ccncc1 ZINC001253216917 808038286 /nfs/dbraw/zinc/03/82/86/808038286.db2.gz QJYHIJGSLKXKQN-ZDUSSCGKSA-N 2 2 267.373 0.753 20 0 CCADLP C[N@H+]1C[C@@H]2C[NH+](C[C@H](O)C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001253684005 808114784 /nfs/dbraw/zinc/11/47/84/808114784.db2.gz KQWRKFICFLVVOF-TUAOUCFPSA-N 2 2 270.373 0.182 20 0 CCADLP C[N@@H+]1C[C@@H]2C[NH+](C[C@H](O)C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001253684005 808114785 /nfs/dbraw/zinc/11/47/85/808114785.db2.gz KQWRKFICFLVVOF-TUAOUCFPSA-N 2 2 270.373 0.182 20 0 CCADLP C[NH+]1C[C@@H]2C[N@@H+](C[C@H](O)C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001253684005 808114786 /nfs/dbraw/zinc/11/47/86/808114786.db2.gz KQWRKFICFLVVOF-TUAOUCFPSA-N 2 2 270.373 0.182 20 0 CCADLP C[NH+]1C[C@@H]2C[N@H+](C[C@H](O)C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001253684005 808114787 /nfs/dbraw/zinc/11/47/87/808114787.db2.gz KQWRKFICFLVVOF-TUAOUCFPSA-N 2 2 270.373 0.182 20 0 CCADLP CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+]([C@@H]1CCC[NH+](C)CC1)C2 ZINC001254519894 808253100 /nfs/dbraw/zinc/25/31/00/808253100.db2.gz VGIOEHOGHYDDCC-IIAWOOMASA-N 2 2 295.427 0.698 20 0 CCADLP CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+]([C@@H]1CCC[NH+](C)CC1)C2 ZINC001254519894 808253104 /nfs/dbraw/zinc/25/31/04/808253104.db2.gz VGIOEHOGHYDDCC-IIAWOOMASA-N 2 2 295.427 0.698 20 0 CCADLP CNC(=O)[C@@]12CCO[C@@H]1CC[NH+]([C@@H]1CCC[N@H+](C)CC1)C2 ZINC001254519894 808253107 /nfs/dbraw/zinc/25/31/07/808253107.db2.gz VGIOEHOGHYDDCC-IIAWOOMASA-N 2 2 295.427 0.698 20 0 CCADLP CNC(=O)[C@@]12CCO[C@@H]1CC[NH+]([C@@H]1CCC[N@@H+](C)CC1)C2 ZINC001254519894 808253112 /nfs/dbraw/zinc/25/31/12/808253112.db2.gz VGIOEHOGHYDDCC-IIAWOOMASA-N 2 2 295.427 0.698 20 0 CCADLP CN(C1COC1)C1C[NH+]([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254524318 808253574 /nfs/dbraw/zinc/25/35/74/808253574.db2.gz AUECGHXGOAGGSM-LBPRGKRZSA-N 2 2 253.390 0.486 20 0 CCADLP CN(C1COC1)C1C[NH+]([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254524318 808253577 /nfs/dbraw/zinc/25/35/77/808253577.db2.gz AUECGHXGOAGGSM-LBPRGKRZSA-N 2 2 253.390 0.486 20 0 CCADLP C[C@@H](F)CC[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001278811197 808279782 /nfs/dbraw/zinc/27/97/82/808279782.db2.gz RCLRXTWRQDRHBZ-PWSUYJOCSA-N 2 2 286.351 0.109 20 0 CCADLP [NH3+]CCC[NH+]1CCN([C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254841277 808284911 /nfs/dbraw/zinc/28/49/11/808284911.db2.gz VYRHXICMAWFOTA-OAHLLOKOSA-N 3 2 266.433 0.437 20 0 CCADLP O=C1CCC[C@H]([NH2+][C@H]2CC3CC[NH+](CC3)C2)CN1 ZINC001254840510 808285205 /nfs/dbraw/zinc/28/52/05/808285205.db2.gz HZHZKYIAMJYDJE-STQMWFEESA-N 2 2 251.374 0.729 20 0 CCADLP COC(=O)[C@@H]1C[C@H]1C[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254846366 808287559 /nfs/dbraw/zinc/28/75/59/808287559.db2.gz VTBJONSFFHWRBB-RWMBFGLXSA-N 2 2 252.358 0.869 20 0 CCADLP O=C1CCC[C@H](C[NH2+][C@H]2CC3CC[NH+](CC3)C2)N1 ZINC001254852207 808288073 /nfs/dbraw/zinc/28/80/73/808288073.db2.gz RRSUCYCCWCCUTD-OLZOCXBDSA-N 2 2 251.374 0.729 20 0 CCADLP CO[C@@H]1C[N@@H+]([C@H]2CC3CC[NH+](CC3)C2)C[C@@H]1OC ZINC001254853795 808288825 /nfs/dbraw/zinc/28/88/25/808288825.db2.gz RMODTQBJHXYYBM-MELADBBJSA-N 2 2 254.374 0.816 20 0 CCADLP CO[C@@H]1C[N@H+]([C@H]2CC3CC[NH+](CC3)C2)C[C@@H]1OC ZINC001254853795 808288829 /nfs/dbraw/zinc/28/88/29/808288829.db2.gz RMODTQBJHXYYBM-MELADBBJSA-N 2 2 254.374 0.816 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])NC2CCC3(CC2)OCCO3)CC1 ZINC001255614011 808413257 /nfs/dbraw/zinc/41/32/57/808413257.db2.gz CIXNBCNNGNJVPB-UHFFFAOYSA-N 2 2 282.388 0.444 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCN1C ZINC001255682753 808423595 /nfs/dbraw/zinc/42/35/95/808423595.db2.gz LFXULTIEQVMDOM-IZGVIRRGSA-N 2 2 295.427 0.791 20 0 CCADLP COC(=O)[C@H]1C[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCN1C ZINC001255682753 808423605 /nfs/dbraw/zinc/42/36/05/808423605.db2.gz LFXULTIEQVMDOM-IZGVIRRGSA-N 2 2 295.427 0.791 20 0 CCADLP COC(=O)[C@H]1C[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCN1C ZINC001255682753 808423609 /nfs/dbraw/zinc/42/36/09/808423609.db2.gz LFXULTIEQVMDOM-IZGVIRRGSA-N 2 2 295.427 0.791 20 0 CCADLP COC(=O)[C@H]1C[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCN1C ZINC001255682753 808423615 /nfs/dbraw/zinc/42/36/15/808423615.db2.gz LFXULTIEQVMDOM-IZGVIRRGSA-N 2 2 295.427 0.791 20 0 CCADLP C1CC1[NH+]1CCC([NH2+][C@@H]2COCCC23OCCO3)CC1 ZINC001256067772 808465322 /nfs/dbraw/zinc/46/53/22/808465322.db2.gz JLDGPMXSIAJHPM-CQSZACIVSA-N 2 2 282.384 0.735 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H](NC(=[NH2+])N2CC[NH+](C)CC2)C1 ZINC001257024001 808578122 /nfs/dbraw/zinc/57/81/22/808578122.db2.gz AIHNKDBRAOJYSQ-VXGBXAGGSA-N 2 2 282.388 0.490 20 0 CCADLP CCOC(=O)CC[C@H](C)[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001258501411 808690266 /nfs/dbraw/zinc/69/02/66/808690266.db2.gz SYTXMPGHTURUKK-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NOC2CC[NH+](C)CC2)no1 ZINC001261526801 809008939 /nfs/dbraw/zinc/00/89/39/809008939.db2.gz WUBMLXDBCBIXJY-UHFFFAOYSA-N 2 2 282.344 0.492 20 0 CCADLP C[NH2+][C@H](C)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001261527380 809009592 /nfs/dbraw/zinc/00/95/92/809009592.db2.gz PINGKMWWAATXIP-LLVKDONJSA-N 2 2 264.373 0.876 20 0 CCADLP COCCCCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001262566806 809346732 /nfs/dbraw/zinc/34/67/32/809346732.db2.gz ARMVGFCBCXYGBT-UHFFFAOYSA-N 2 2 286.420 0.525 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[C@@H]1CSCC[NH2+]1 ZINC001263134261 809455868 /nfs/dbraw/zinc/45/58/68/809455868.db2.gz PHMBLVVODZQXDH-LLVKDONJSA-N 2 2 268.386 0.485 20 0 CCADLP C[NH+]1CC(C[NH2+]C[C@@H](O)COCc2ccco2)C1 ZINC000379421358 809513373 /nfs/dbraw/zinc/51/33/73/809513373.db2.gz AMTVFJUGZNAOEU-GFCCVEGCSA-N 2 2 254.330 0.308 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCCCC[C@H]([NH2+]CCCO)C1 ZINC001264682215 809672191 /nfs/dbraw/zinc/67/21/91/809672191.db2.gz RSARUWLVYJFUKY-ZDUSSCGKSA-N 2 2 294.399 0.695 20 0 CCADLP CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001265320085 809757227 /nfs/dbraw/zinc/75/72/27/809757227.db2.gz XMVRABATAMUHOV-AWEZNQCLSA-N 2 2 294.399 0.889 20 0 CCADLP CC(C)OCCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001265320085 809757231 /nfs/dbraw/zinc/75/72/31/809757231.db2.gz XMVRABATAMUHOV-AWEZNQCLSA-N 2 2 294.399 0.889 20 0 CCADLP COCC[NH2+][C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001265378416 809768875 /nfs/dbraw/zinc/76/88/75/809768875.db2.gz LDKYGDPYUKZDJS-ZDUSSCGKSA-N 2 2 280.372 0.391 20 0 CCADLP Cc1noc(C[N@H+](C)CCCNC(=O)[C@H]2CCC[NH+]2C)n1 ZINC001265814586 809860253 /nfs/dbraw/zinc/86/02/53/809860253.db2.gz BANXJCLZJMYZLO-GFCCVEGCSA-N 2 2 295.387 0.410 20 0 CCADLP Cc1noc(C[N@@H+](C)CCCNC(=O)[C@H]2CCC[NH+]2C)n1 ZINC001265814586 809860260 /nfs/dbraw/zinc/86/02/60/809860260.db2.gz BANXJCLZJMYZLO-GFCCVEGCSA-N 2 2 295.387 0.410 20 0 CCADLP Cc1noc(C[NH+](C)CCCNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001265814586 809860264 /nfs/dbraw/zinc/86/02/64/809860264.db2.gz BANXJCLZJMYZLO-GFCCVEGCSA-N 2 2 295.387 0.410 20 0 CCADLP Cc1noc(C[NH+](C)CCCNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001265814586 809860269 /nfs/dbraw/zinc/86/02/69/809860269.db2.gz BANXJCLZJMYZLO-GFCCVEGCSA-N 2 2 295.387 0.410 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC(NC(=O)NC)CC1 ZINC000702145206 809884459 /nfs/dbraw/zinc/88/44/59/809884459.db2.gz QJNNVZFBFZKEQI-CYBMUJFWSA-N 2 2 286.420 0.083 20 0 CCADLP CCOCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001265932842 809898069 /nfs/dbraw/zinc/89/80/69/809898069.db2.gz YLSNTSWKHQKUPL-LBPRGKRZSA-N 2 2 280.372 0.569 20 0 CCADLP COCC[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001266070265 809930172 /nfs/dbraw/zinc/93/01/72/809930172.db2.gz AHQHKIXDGKOSFF-NEPJUHHUSA-N 2 2 280.372 0.616 20 0 CCADLP CC(C)=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001076805978 815379484 /nfs/dbraw/zinc/37/94/84/815379484.db2.gz YSVDQYOSIKDKGQ-MGPQQGTHSA-N 2 2 281.400 0.208 20 0 CCADLP Cc1ncc(C[NH3+])c(=N)n1-c1c[nH+]cc2cc[nH]c21 ZINC001167674614 811189371 /nfs/dbraw/zinc/18/93/71/811189371.db2.gz UIRGXYKATJMKNG-UHFFFAOYSA-N 2 2 254.297 0.995 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[NH2+]C[C@H](C)O ZINC001267439508 811307191 /nfs/dbraw/zinc/30/71/91/811307191.db2.gz LCUGHUVAFRYEKG-MNOVXSKESA-N 2 2 268.361 0.017 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[NH2+]C[C@H](C)O ZINC001267439508 811307202 /nfs/dbraw/zinc/30/72/02/811307202.db2.gz LCUGHUVAFRYEKG-MNOVXSKESA-N 2 2 268.361 0.017 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC1C[NH+](CC2CC2)C1 ZINC001267684209 811649924 /nfs/dbraw/zinc/64/99/24/811649924.db2.gz YGQROFAUYVEQIN-UHFFFAOYSA-N 2 2 262.357 0.800 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC1C[NH+](CC2CC2)C1 ZINC001267684209 811649931 /nfs/dbraw/zinc/64/99/31/811649931.db2.gz YGQROFAUYVEQIN-UHFFFAOYSA-N 2 2 262.357 0.800 20 0 CCADLP CCCC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC001083290708 811697945 /nfs/dbraw/zinc/69/79/45/811697945.db2.gz QVSDAPQYSPNZIM-UONOGXRCSA-N 2 2 292.383 0.595 20 0 CCADLP CCCC[N@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC001083290708 811697954 /nfs/dbraw/zinc/69/79/54/811697954.db2.gz QVSDAPQYSPNZIM-UONOGXRCSA-N 2 2 292.383 0.595 20 0 CCADLP Cc1[nH+]c(N)ccc1CNc1[nH+]cnc2[nH]cc(C(N)=O)c21 ZINC001167786820 812061218 /nfs/dbraw/zinc/06/12/18/812061218.db2.gz WMFQOGNUVRKXIX-UHFFFAOYSA-N 2 2 297.322 0.906 20 0 CCADLP CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@@H](O)C1 ZINC001083583531 815502857 /nfs/dbraw/zinc/50/28/57/815502857.db2.gz JEMGZMNYAOZRFM-XQQFMLRXSA-N 2 2 292.383 0.017 20 0 CCADLP CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@@H](O)C1 ZINC001083583531 815502860 /nfs/dbraw/zinc/50/28/60/815502860.db2.gz JEMGZMNYAOZRFM-XQQFMLRXSA-N 2 2 292.383 0.017 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001041344260 812268413 /nfs/dbraw/zinc/26/84/13/812268413.db2.gz PYZROVFUHSOPNH-OAHLLOKOSA-N 2 2 292.383 0.259 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001041344260 812268420 /nfs/dbraw/zinc/26/84/20/812268420.db2.gz PYZROVFUHSOPNH-OAHLLOKOSA-N 2 2 292.383 0.259 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001041344260 812268426 /nfs/dbraw/zinc/26/84/26/812268426.db2.gz PYZROVFUHSOPNH-OAHLLOKOSA-N 2 2 292.383 0.259 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001041344260 812268430 /nfs/dbraw/zinc/26/84/30/812268430.db2.gz PYZROVFUHSOPNH-OAHLLOKOSA-N 2 2 292.383 0.259 20 0 CCADLP COc1nc(NC(=[NH2+])NCCCC[NH3+])nc2nc[nH]c21 ZINC001167878423 812381362 /nfs/dbraw/zinc/38/13/62/812381362.db2.gz REOJCFFIISKRRN-UHFFFAOYSA-N 2 2 278.320 0.037 20 0 CCADLP CC[C@H](C)C[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001268326344 812488998 /nfs/dbraw/zinc/48/89/98/812488998.db2.gz LHOVHEMVEYSGAV-WDEREUQCSA-N 2 2 268.361 0.065 20 0 CCADLP CO[C@@H](C)C[NH2+]CC[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001268419072 812559626 /nfs/dbraw/zinc/55/96/26/812559626.db2.gz JXBYXLONZJOLJL-QWRGUYRKSA-N 2 2 282.388 0.780 20 0 CCADLP CNC(=O)c1cc(NC(=[NH2+])SCC[NH3+])cnc1F ZINC001167915540 812620003 /nfs/dbraw/zinc/62/00/03/812620003.db2.gz IGFKHMHFOQQCJC-UHFFFAOYSA-N 2 2 271.321 0.619 20 0 CCADLP COCCC[NH+]1CC(NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001268475175 812632107 /nfs/dbraw/zinc/63/21/07/812632107.db2.gz YHVPWJWYXCRYLA-CYBMUJFWSA-N 2 2 271.405 0.410 20 0 CCADLP CCN(CC[NH2+]CCO)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001268484793 812661766 /nfs/dbraw/zinc/66/17/66/812661766.db2.gz KYJCEYNWODMHCL-LLVKDONJSA-N 2 2 268.361 0.019 20 0 CCADLP CCN(CC[NH2+]CCO)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001268484793 812661770 /nfs/dbraw/zinc/66/17/70/812661770.db2.gz KYJCEYNWODMHCL-LLVKDONJSA-N 2 2 268.361 0.019 20 0 CCADLP COc1ccc(-c2noc([C@H]3C[NH2+]C[C@@H]3[NH3+])n2)nc1 ZINC001211755679 812670429 /nfs/dbraw/zinc/67/04/29/812670429.db2.gz ZBSRJPFUELVJLB-IUCAKERBSA-N 2 2 261.285 0.154 20 0 CCADLP [NH3+]C1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000258964028 812908977 /nfs/dbraw/zinc/90/89/77/812908977.db2.gz MXJUYRBGIKKXOU-UHFFFAOYSA-N 2 2 263.345 0.241 20 0 CCADLP [NH3+]C1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000258964028 812908981 /nfs/dbraw/zinc/90/89/81/812908981.db2.gz MXJUYRBGIKKXOU-UHFFFAOYSA-N 2 2 263.345 0.241 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)C[NH2+]CCO)ccn12 ZINC001268645533 812972463 /nfs/dbraw/zinc/97/24/63/812972463.db2.gz PHSFLAOMPCQQKS-SNVBAGLBSA-N 2 2 276.340 0.343 20 0 CCADLP C[NH+](C)C1(C(=O)N[C@H]2CC[N@H+](CCF)C2)CCC1 ZINC001269033763 813185406 /nfs/dbraw/zinc/18/54/06/813185406.db2.gz JPWQIHYYKHJQCO-NSHDSACASA-N 2 2 257.353 0.631 20 0 CCADLP C[NH+](C)C1(C(=O)N[C@H]2CC[N@@H+](CCF)C2)CCC1 ZINC001269033763 813185410 /nfs/dbraw/zinc/18/54/10/813185410.db2.gz JPWQIHYYKHJQCO-NSHDSACASA-N 2 2 257.353 0.631 20 0 CCADLP COCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001038407725 813532986 /nfs/dbraw/zinc/53/29/86/813532986.db2.gz GVAGCWZPCNHHRM-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP COCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001038407725 813532990 /nfs/dbraw/zinc/53/29/90/813532990.db2.gz GVAGCWZPCNHHRM-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP COCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001038407725 813532996 /nfs/dbraw/zinc/53/29/96/813532996.db2.gz GVAGCWZPCNHHRM-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP COCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001038407725 813533000 /nfs/dbraw/zinc/53/30/00/813533000.db2.gz GVAGCWZPCNHHRM-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]C/C=C\Cl ZINC001126447507 813630811 /nfs/dbraw/zinc/63/08/11/813630811.db2.gz HXLPCQSEXDZRTA-RJRFIUFISA-N 2 2 256.737 0.801 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]1C[NH2+]CCCF ZINC001270165321 813659288 /nfs/dbraw/zinc/65/92/88/813659288.db2.gz LAEJKGLMNGLKGE-GFCCVEGCSA-N 2 2 282.363 0.903 20 0 CCADLP C[NH+]1CC2(CN(C(=O)C3CN(c4cccc[nH+]4)C3)C2)C1 ZINC001270463750 813773985 /nfs/dbraw/zinc/77/39/85/813773985.db2.gz DSHSPQQKNZDXSD-UHFFFAOYSA-N 2 2 272.352 0.292 20 0 CCADLP Cc1nc(N[C@H]2C[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)cc[nH+]1 ZINC001059167408 813847432 /nfs/dbraw/zinc/84/74/32/813847432.db2.gz PSWVCVZCDSENQO-JHJVBQTASA-N 2 2 289.383 0.938 20 0 CCADLP Cc1nc(N[C@H]2C[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)cc[nH+]1 ZINC001059167408 813847448 /nfs/dbraw/zinc/84/74/48/813847448.db2.gz PSWVCVZCDSENQO-JHJVBQTASA-N 2 2 289.383 0.938 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+]CCCO ZINC001167979201 813881105 /nfs/dbraw/zinc/88/11/05/813881105.db2.gz RIPMMTZFXKOGEI-NSHDSACASA-N 2 2 268.361 0.067 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+]CCCO ZINC001167979201 813881115 /nfs/dbraw/zinc/88/11/15/813881115.db2.gz RIPMMTZFXKOGEI-NSHDSACASA-N 2 2 268.361 0.067 20 0 CCADLP C[NH+](C)CCNc1cc(N2CCC(C(N)=O)CC2)[nH+]cn1 ZINC001161666655 813898323 /nfs/dbraw/zinc/89/83/23/813898323.db2.gz RXEDBSWITIXHLG-UHFFFAOYSA-N 2 2 292.387 0.152 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1C[C@@H](C)O ZINC001087797913 814217625 /nfs/dbraw/zinc/21/76/25/814217625.db2.gz PLWLJCORJWHKMD-KWCYVHTRSA-N 2 2 294.399 0.313 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1C[C@@H](C)O ZINC001087797913 814217635 /nfs/dbraw/zinc/21/76/35/814217635.db2.gz PLWLJCORJWHKMD-KWCYVHTRSA-N 2 2 294.399 0.313 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[N@@H+]1C[C@@H](C)O ZINC001087811005 814218501 /nfs/dbraw/zinc/21/85/01/814218501.db2.gz XAIUWHDDMMUDTH-SCDSUCTJSA-N 2 2 294.399 0.611 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[N@H+]1C[C@@H](C)O ZINC001087811005 814218511 /nfs/dbraw/zinc/21/85/11/814218511.db2.gz XAIUWHDDMMUDTH-SCDSUCTJSA-N 2 2 294.399 0.611 20 0 CCADLP CC[NH2+]C[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000985033865 814386818 /nfs/dbraw/zinc/38/68/18/814386818.db2.gz HAMCXQQYLYHHMC-XYPYZODXSA-N 2 2 250.346 0.467 20 0 CCADLP C[C@@]1(NC(=O)/C=C\C[NH+]2CCOCC2)C[NH+]2CCC1CC2 ZINC000912373385 815615978 /nfs/dbraw/zinc/61/59/78/815615978.db2.gz CDLXGXNCDJKMAZ-RXYHWBRQSA-N 2 2 293.411 0.475 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CC2CC(F)(F)C2)C1 ZINC001030160814 815851762 /nfs/dbraw/zinc/85/17/62/815851762.db2.gz HGZMDEDBRIRQLG-GFCCVEGCSA-N 2 2 287.354 0.926 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CC2CC(F)(F)C2)C1 ZINC001030160814 815851769 /nfs/dbraw/zinc/85/17/69/815851769.db2.gz HGZMDEDBRIRQLG-GFCCVEGCSA-N 2 2 287.354 0.926 20 0 CCADLP C[C@H](F)CC[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001030162113 815854337 /nfs/dbraw/zinc/85/43/37/815854337.db2.gz RYVUZEDJRLOSOE-CMPLNLGQSA-N 2 2 257.353 0.629 20 0 CCADLP C[C@H](F)CC[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001030162113 815854344 /nfs/dbraw/zinc/85/43/44/815854344.db2.gz RYVUZEDJRLOSOE-CMPLNLGQSA-N 2 2 257.353 0.629 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CC[C@@H]2CCCCO2)C1 ZINC001030162726 815855618 /nfs/dbraw/zinc/85/56/18/815855618.db2.gz YSZBWOLQSMGRLD-LSDHHAIUSA-N 2 2 295.427 0.840 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CC[C@@H]2CCCCO2)C1 ZINC001030162726 815855628 /nfs/dbraw/zinc/85/56/28/815855628.db2.gz YSZBWOLQSMGRLD-LSDHHAIUSA-N 2 2 295.427 0.840 20 0 CCADLP CC(C)CC[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001030179596 815870927 /nfs/dbraw/zinc/87/09/27/815870927.db2.gz BQOAMRYMHVTSRO-ZDUSSCGKSA-N 2 2 269.389 0.164 20 0 CCADLP CC(C)CC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001030179596 815870933 /nfs/dbraw/zinc/87/09/33/815870933.db2.gz BQOAMRYMHVTSRO-ZDUSSCGKSA-N 2 2 269.389 0.164 20 0 CCADLP CC1CC(C[NH2+]CCN(CCO)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001279838547 815920469 /nfs/dbraw/zinc/92/04/69/815920469.db2.gz MFQYNMBVSXZSNP-UHFFFAOYSA-N 2 2 294.399 0.409 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001030323357 815976644 /nfs/dbraw/zinc/97/66/44/815976644.db2.gz LCLVCGXROOFUAP-BXUZGUMPSA-N 2 2 281.400 0.164 20 0 CCADLP CC(C)[N@H+]1CCC[C@H]1CC(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001030441602 816040730 /nfs/dbraw/zinc/04/07/30/816040730.db2.gz BTXZQJPSCCBHTK-JSGCOSHPSA-N 2 2 283.416 0.431 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001030441602 816040736 /nfs/dbraw/zinc/04/07/36/816040736.db2.gz BTXZQJPSCCBHTK-JSGCOSHPSA-N 2 2 283.416 0.431 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001030532091 816089788 /nfs/dbraw/zinc/08/97/88/816089788.db2.gz FFZMIMXFZYPDMJ-YPMHNXCESA-N 2 2 269.389 0.306 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001030532091 816089792 /nfs/dbraw/zinc/08/97/92/816089792.db2.gz FFZMIMXFZYPDMJ-YPMHNXCESA-N 2 2 269.389 0.306 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001030595042 816132166 /nfs/dbraw/zinc/13/21/66/816132166.db2.gz YHRVXEONKGOGMA-DZGCQCFKSA-N 2 2 297.443 0.942 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001030595042 816132169 /nfs/dbraw/zinc/13/21/69/816132169.db2.gz YHRVXEONKGOGMA-DZGCQCFKSA-N 2 2 297.443 0.942 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001088981709 816202213 /nfs/dbraw/zinc/20/22/13/816202213.db2.gz IUMUCLNDVDGGEI-BZPMIXESSA-N 2 2 294.399 0.577 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001088981709 816202218 /nfs/dbraw/zinc/20/22/18/816202218.db2.gz IUMUCLNDVDGGEI-BZPMIXESSA-N 2 2 294.399 0.577 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC1C[NH+](C[C@@H]2CCCCO2)C1 ZINC001030683609 816214180 /nfs/dbraw/zinc/21/41/80/816214180.db2.gz RBGBIDCJXNOBPA-AWEZNQCLSA-N 2 2 292.383 0.561 20 0 CCADLP C[C@@H](O)C[NH+]1CC(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001030682367 816215390 /nfs/dbraw/zinc/21/53/90/816215390.db2.gz RZJIEOCPHVTUAS-SNVBAGLBSA-N 2 2 274.324 0.129 20 0 CCADLP CC[C@H](C)C[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001030839385 816333576 /nfs/dbraw/zinc/33/35/76/816333576.db2.gz KGDBYDKWRADFHO-DZGCQCFKSA-N 2 2 297.443 0.942 20 0 CCADLP CC[C@H](C)C[NH+]1CC(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001030839385 816333581 /nfs/dbraw/zinc/33/35/81/816333581.db2.gz KGDBYDKWRADFHO-DZGCQCFKSA-N 2 2 297.443 0.942 20 0 CCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NC2C[NH+](CC3CCC3)C2)C1 ZINC001030839552 816334154 /nfs/dbraw/zinc/33/41/54/816334154.db2.gz MYOSHKWOBJMJAJ-HNNXBMFYSA-N 2 2 295.427 0.696 20 0 CCADLP CC(C)[N@H+]1CCO[C@H](C(=O)NC2C[NH+](CC3CCC3)C2)C1 ZINC001030839552 816334159 /nfs/dbraw/zinc/33/41/59/816334159.db2.gz MYOSHKWOBJMJAJ-HNNXBMFYSA-N 2 2 295.427 0.696 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC001121942714 816493012 /nfs/dbraw/zinc/49/30/12/816493012.db2.gz CCYCFXWDNIQTDE-NWDGAFQWSA-N 2 2 262.357 0.800 20 0 CCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC1C[NH+](CC3CC3)C1)C2 ZINC001030961518 816508660 /nfs/dbraw/zinc/50/86/60/816508660.db2.gz WVCOFEFRLZNEMG-ZDUSSCGKSA-N 2 2 288.395 0.964 20 0 CCADLP C[NH+](C)CCc1ccc(C(=O)NC2C[NH+](CCO)C2)cc1 ZINC001030965580 816510951 /nfs/dbraw/zinc/51/09/51/816510951.db2.gz MVVHZGFUNDHYTN-UHFFFAOYSA-N 2 2 291.395 0.197 20 0 CCADLP CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)[C@H]1CC[NH2+]C1 ZINC001122134746 816592979 /nfs/dbraw/zinc/59/29/79/816592979.db2.gz YCVLWBQHFIZWSY-PWSUYJOCSA-N 2 2 250.346 0.799 20 0 CCADLP CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@H]1CC[NH2+]C1 ZINC001122134746 816592987 /nfs/dbraw/zinc/59/29/87/816592987.db2.gz YCVLWBQHFIZWSY-PWSUYJOCSA-N 2 2 250.346 0.799 20 0 CCADLP COC[C@H]1C[NH2+]CCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001122333352 816652259 /nfs/dbraw/zinc/65/22/59/816652259.db2.gz YMZGJILBGYXCDK-VXGBXAGGSA-N 2 2 266.345 0.281 20 0 CCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCO ZINC001106876966 816972718 /nfs/dbraw/zinc/97/27/18/816972718.db2.gz GUQOILIXSYGFAX-VXGBXAGGSA-N 2 2 294.399 0.364 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC1C[NH+](CC[C@@H]2CCOC2)C1 ZINC001031391509 817027630 /nfs/dbraw/zinc/02/76/30/817027630.db2.gz HWXDUUYCPYFIKA-CYBMUJFWSA-N 2 2 292.383 0.419 20 0 CCADLP C[C@H](O)C[NH+]1CC(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001031433587 817051743 /nfs/dbraw/zinc/05/17/43/817051743.db2.gz MSFSDTDDUZARON-LBPRGKRZSA-N 2 2 291.395 0.543 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001031440275 817056118 /nfs/dbraw/zinc/05/61/18/817056118.db2.gz TVDCXNUFJCTXAX-YPMHNXCESA-N 2 2 269.389 0.042 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001031440275 817056128 /nfs/dbraw/zinc/05/61/28/817056128.db2.gz TVDCXNUFJCTXAX-YPMHNXCESA-N 2 2 269.389 0.042 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C[C@H]1[NH3+] ZINC001236346441 817273653 /nfs/dbraw/zinc/27/36/53/817273653.db2.gz YUYHHIKLFQTUAQ-OBPIAQAESA-N 2 2 250.342 0.631 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C[C@H]1[NH3+] ZINC001236346441 817273658 /nfs/dbraw/zinc/27/36/58/817273658.db2.gz YUYHHIKLFQTUAQ-OBPIAQAESA-N 2 2 250.342 0.631 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001124838064 817591489 /nfs/dbraw/zinc/59/14/89/817591489.db2.gz SGSPOIOEBPFCIM-LBPRGKRZSA-N 2 2 280.372 0.537 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001124838064 817591492 /nfs/dbraw/zinc/59/14/92/817591492.db2.gz SGSPOIOEBPFCIM-LBPRGKRZSA-N 2 2 280.372 0.537 20 0 CCADLP CC(C)c1nnc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)[nH]1 ZINC001124872858 817607387 /nfs/dbraw/zinc/60/73/87/817607387.db2.gz NSSNJCGMZADOFF-NSHDSACASA-N 2 2 294.403 0.228 20 0 CCADLP CC(C)c1nnc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)[nH]1 ZINC001124872858 817607394 /nfs/dbraw/zinc/60/73/94/817607394.db2.gz NSSNJCGMZADOFF-NSHDSACASA-N 2 2 294.403 0.228 20 0 CCADLP Cc1nc(NC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001107765125 817989440 /nfs/dbraw/zinc/98/94/40/817989440.db2.gz DUXUFZQTRRODLF-ZYHUDNBSSA-N 2 2 277.372 0.653 20 0 CCADLP Cc1nc(NC[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001107765125 817989446 /nfs/dbraw/zinc/98/94/46/817989446.db2.gz DUXUFZQTRRODLF-ZYHUDNBSSA-N 2 2 277.372 0.653 20 0 CCADLP O=C1[C@@H]([N@@H+]2CC[C@]3(CC[NH2+]C3)C2)CCN1C1CCOCC1 ZINC000360542337 818443148 /nfs/dbraw/zinc/44/31/48/818443148.db2.gz CKDYIQQZGZMNGX-HOCLYGCPSA-N 2 2 293.411 0.452 20 0 CCADLP O=C1[C@@H]([N@H+]2CC[C@]3(CC[NH2+]C3)C2)CCN1C1CCOCC1 ZINC000360542337 818443155 /nfs/dbraw/zinc/44/31/55/818443155.db2.gz CKDYIQQZGZMNGX-HOCLYGCPSA-N 2 2 293.411 0.452 20 0 CCADLP CC(=O)Nc1cncc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001168735626 818538615 /nfs/dbraw/zinc/53/86/15/818538615.db2.gz UGNFOYFQBKEAHP-UHFFFAOYSA-N 2 2 277.332 0.029 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ncnc3c2COC3)CC1 ZINC001168735876 818539991 /nfs/dbraw/zinc/53/99/91/818539991.db2.gz HOGAICUJPBXNQQ-UHFFFAOYSA-N 2 2 262.317 0.101 20 0 CCADLP COc1cc(Cl)nc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001168736145 818543009 /nfs/dbraw/zinc/54/30/09/818543009.db2.gz KSLSZIXQVRNBQG-UHFFFAOYSA-N 2 2 284.751 0.733 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cc3nccnc3cn2)CC1 ZINC001168737096 818557772 /nfs/dbraw/zinc/55/77/72/818557772.db2.gz VRYVNYLODSCSBO-UHFFFAOYSA-N 2 2 271.328 0.619 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cc(F)c(C(N)=O)c(F)c2)CC1 ZINC001168746338 818627399 /nfs/dbraw/zinc/62/73/99/818627399.db2.gz KRMVEXREIYBWQE-UHFFFAOYSA-N 2 2 297.309 0.658 20 0 CCADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@H+](CCO)C1 ZINC001033192817 818638314 /nfs/dbraw/zinc/63/83/14/818638314.db2.gz XIJOUSGGJVIKHV-GFCCVEGCSA-N 2 2 288.351 0.702 20 0 CCADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033192817 818638318 /nfs/dbraw/zinc/63/83/18/818638318.db2.gz XIJOUSGGJVIKHV-GFCCVEGCSA-N 2 2 288.351 0.702 20 0 CCADLP CC[C@H](C[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1)OC ZINC001033455168 818790984 /nfs/dbraw/zinc/79/09/84/818790984.db2.gz ILJZKXXIHMPJFS-UONOGXRCSA-N 2 2 294.399 0.910 20 0 CCADLP CC[C@H](C[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1)OC ZINC001033455168 818790991 /nfs/dbraw/zinc/79/09/91/818790991.db2.gz ILJZKXXIHMPJFS-UONOGXRCSA-N 2 2 294.399 0.910 20 0 CCADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001033704408 818892178 /nfs/dbraw/zinc/89/21/78/818892178.db2.gz UWNCZBDBFAQFQE-KBPBESRZSA-N 2 2 292.383 0.452 20 0 CCADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001033704408 818892185 /nfs/dbraw/zinc/89/21/85/818892185.db2.gz UWNCZBDBFAQFQE-KBPBESRZSA-N 2 2 292.383 0.452 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702064544 819047436 /nfs/dbraw/zinc/04/74/36/819047436.db2.gz MHAUXGYSYDPVDE-SGMGOOAPSA-N 2 2 269.389 0.069 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702064544 819047440 /nfs/dbraw/zinc/04/74/40/819047440.db2.gz MHAUXGYSYDPVDE-SGMGOOAPSA-N 2 2 269.389 0.069 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1CC([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C2 ZINC000702593717 819148021 /nfs/dbraw/zinc/14/80/21/819148021.db2.gz NOKJXCPBBSOGOL-WTUNAVPPSA-N 3 2 253.390 0.268 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1CC([NH2+]C[C@]1(O)CC[N@H+](C)C1)C2 ZINC000702593717 819148022 /nfs/dbraw/zinc/14/80/22/819148022.db2.gz NOKJXCPBBSOGOL-WTUNAVPPSA-N 3 2 253.390 0.268 20 0 CCADLP C[NH+]1CC[C@@](O)(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000702593717 819148025 /nfs/dbraw/zinc/14/80/25/819148025.db2.gz NOKJXCPBBSOGOL-WTUNAVPPSA-N 3 2 253.390 0.268 20 0 CCADLP C[NH+]1CC[C@@](O)(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000702593717 819148028 /nfs/dbraw/zinc/14/80/28/819148028.db2.gz NOKJXCPBBSOGOL-WTUNAVPPSA-N 3 2 253.390 0.268 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCCC[N@H+](CCCO)C1 ZINC001034491022 819217314 /nfs/dbraw/zinc/21/73/14/819217314.db2.gz OWHVKKOJNGOKNO-ZDUSSCGKSA-N 2 2 294.399 0.316 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCCC[N@@H+](CCCO)C1 ZINC001034491022 819217320 /nfs/dbraw/zinc/21/73/20/819217320.db2.gz OWHVKKOJNGOKNO-ZDUSSCGKSA-N 2 2 294.399 0.316 20 0 CCADLP CS(=O)(=O)N1CCC[N@H+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000703172085 819234732 /nfs/dbraw/zinc/23/47/32/819234732.db2.gz SDFYDEZCDSYMIE-ZDUSSCGKSA-N 2 2 289.445 0.343 20 0 CCADLP CS(=O)(=O)N1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000703172085 819234734 /nfs/dbraw/zinc/23/47/34/819234734.db2.gz SDFYDEZCDSYMIE-ZDUSSCGKSA-N 2 2 289.445 0.343 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+]C[C@H]1CCCOC1 ZINC001128992086 819305885 /nfs/dbraw/zinc/30/58/85/819305885.db2.gz OGDVJKSPRGOKFF-GFCCVEGCSA-N 2 2 280.372 0.475 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC[NH2+]C[C@H]1CCCOC1 ZINC001128992086 819305893 /nfs/dbraw/zinc/30/58/93/819305893.db2.gz OGDVJKSPRGOKFF-GFCCVEGCSA-N 2 2 280.372 0.475 20 0 CCADLP O=C1[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CCN1C1CCC1 ZINC000708666276 819775922 /nfs/dbraw/zinc/77/59/22/819775922.db2.gz BJSQXHGTUDUYFT-VMFVLUETSA-N 2 2 275.396 0.726 20 0 CCADLP COC(=O)[C@](C)(O)C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000709799386 819809064 /nfs/dbraw/zinc/80/90/64/819809064.db2.gz ANVWJORJQSCFGS-CYBMUJFWSA-N 2 2 258.362 0.327 20 0 CCADLP C[NH+](C)CC1(O)CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000710647654 819859898 /nfs/dbraw/zinc/85/98/98/819859898.db2.gz CIIVITMGLNSVNU-UHFFFAOYSA-N 3 2 266.389 0.662 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](O)C1 ZINC001090356930 820293348 /nfs/dbraw/zinc/29/33/48/820293348.db2.gz ZRKGKUZJINDJKH-CHWSQXEVSA-N 2 2 294.399 0.498 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](O)C1 ZINC001090356930 820293355 /nfs/dbraw/zinc/29/33/55/820293355.db2.gz ZRKGKUZJINDJKH-CHWSQXEVSA-N 2 2 294.399 0.498 20 0 CCADLP CN(c1ccc(Cn2cc[nH+]c2)cc1)S(=O)(=O)CC[NH3+] ZINC001164297524 820801464 /nfs/dbraw/zinc/80/14/64/820801464.db2.gz WVYPRMYSAJTSCL-UHFFFAOYSA-N 2 2 294.380 0.656 20 0 CCADLP CO[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082096130 820892771 /nfs/dbraw/zinc/89/27/71/820892771.db2.gz ZXYTUDDBVINDKT-CHWSQXEVSA-N 2 2 287.379 0.113 20 0 CCADLP CO[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082096130 820892781 /nfs/dbraw/zinc/89/27/81/820892781.db2.gz ZXYTUDDBVINDKT-CHWSQXEVSA-N 2 2 287.379 0.113 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1[NH2+]CCF ZINC001082604367 821004679 /nfs/dbraw/zinc/00/46/79/821004679.db2.gz MOVHODLSMBEBMG-YRGRVCCFSA-N 2 2 294.374 0.852 20 0 CCADLP [NH3+]C1CCN(c2cccc(N3C[C@@H]4C[C@]4([NH3+])C3)[nH+]2)CC1 ZINC001165314043 821053318 /nfs/dbraw/zinc/05/33/18/821053318.db2.gz KWFGQSFXXMAYKU-NHYWBVRUSA-N 3 2 273.384 0.547 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CC[N@H+](CC3CC3)C[C@H]21 ZINC001084774915 821388522 /nfs/dbraw/zinc/38/85/22/821388522.db2.gz KFVBFYPQPVRGGO-UKRRQHHQSA-N 2 2 288.395 0.905 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CC[N@@H+](CC3CC3)C[C@H]21 ZINC001084774915 821388526 /nfs/dbraw/zinc/38/85/26/821388526.db2.gz KFVBFYPQPVRGGO-UKRRQHHQSA-N 2 2 288.395 0.905 20 0 CCADLP CN(C[C@@H]1CC[N@@H+]1CCF)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001085597814 821841455 /nfs/dbraw/zinc/84/14/55/821841455.db2.gz GUTMZPDOZULBIY-UONOGXRCSA-N 2 2 283.391 0.830 20 0 CCADLP CN(C[C@@H]1CC[N@H+]1CCF)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001085597814 821841467 /nfs/dbraw/zinc/84/14/67/821841467.db2.gz GUTMZPDOZULBIY-UONOGXRCSA-N 2 2 283.391 0.830 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001085680505 821894566 /nfs/dbraw/zinc/89/45/66/821894566.db2.gz HPWMEBWSWUOYRH-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001085680505 821894578 /nfs/dbraw/zinc/89/45/78/821894578.db2.gz HPWMEBWSWUOYRH-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001086112223 822115323 /nfs/dbraw/zinc/11/53/23/822115323.db2.gz YFONYRGTVDOJIJ-UJPOAAIJSA-N 2 2 292.383 0.378 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001086112223 822115327 /nfs/dbraw/zinc/11/53/27/822115327.db2.gz YFONYRGTVDOJIJ-UJPOAAIJSA-N 2 2 292.383 0.378 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC001114205885 837471775 /nfs/dbraw/zinc/47/17/75/837471775.db2.gz ABSJWWAAMSODJR-JYAVWHMHSA-N 2 2 274.368 0.799 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC001114205885 837471778 /nfs/dbraw/zinc/47/17/78/837471778.db2.gz ABSJWWAAMSODJR-JYAVWHMHSA-N 2 2 274.368 0.799 20 0 CCADLP O=C(NCC[NH2+]CCOC1CCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129891236 837576566 /nfs/dbraw/zinc/57/65/66/837576566.db2.gz FVSUVNOMNVTBHK-CHWSQXEVSA-N 2 2 292.383 0.788 20 0 CCADLP O=C(NCC[NH2+]CCOC1CCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129891236 837576574 /nfs/dbraw/zinc/57/65/74/837576574.db2.gz FVSUVNOMNVTBHK-CHWSQXEVSA-N 2 2 292.383 0.788 20 0 CCADLP O=C(NCC[NH2+]CCCF)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129891868 837576797 /nfs/dbraw/zinc/57/67/97/837576797.db2.gz VWPIJJQAVJCUIZ-NXEZZACHSA-N 2 2 254.309 0.579 20 0 CCADLP O=C(NCC[NH2+]CCCF)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129891868 837576805 /nfs/dbraw/zinc/57/68/05/837576805.db2.gz VWPIJJQAVJCUIZ-NXEZZACHSA-N 2 2 254.309 0.579 20 0 CCADLP O=C(NCC[NH2+]C/C=C\Cl)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129900494 837583132 /nfs/dbraw/zinc/58/31/32/837583132.db2.gz GDGHNRMAVSIEIU-BSANDHCLSA-N 2 2 268.748 0.972 20 0 CCADLP C[C@@H]1C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1[NH3+] ZINC001206058683 837680090 /nfs/dbraw/zinc/68/00/90/837680090.db2.gz NYDVWTHOIWOPCY-BXKDBHETSA-N 2 2 258.329 0.646 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1[NH3+] ZINC001206058683 837680092 /nfs/dbraw/zinc/68/00/92/837680092.db2.gz NYDVWTHOIWOPCY-BXKDBHETSA-N 2 2 258.329 0.646 20 0 CCADLP COC(=O)c1cnc(NC(=[NH2+])N2CC[NH+](C)CC2)c(C)c1 ZINC001157915183 837695842 /nfs/dbraw/zinc/69/58/42/837695842.db2.gz TZKPDIJPUNFGCK-UHFFFAOYSA-N 2 2 291.355 0.771 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C)c1csnn1 ZINC001130299689 837752728 /nfs/dbraw/zinc/75/27/28/837752728.db2.gz AFTZZOXMUJCNOA-JQWIXIFHSA-N 2 2 297.428 0.789 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C)c1csnn1 ZINC001130299689 837752738 /nfs/dbraw/zinc/75/27/38/837752738.db2.gz AFTZZOXMUJCNOA-JQWIXIFHSA-N 2 2 297.428 0.789 20 0 CCADLP CC(C)C[NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130407743 837786384 /nfs/dbraw/zinc/78/63/84/837786384.db2.gz XOCVXFCILGTUGF-LBPRGKRZSA-N 2 2 264.373 0.807 20 0 CCADLP O=C(NCC[NH2+]Cc1ccccn1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130477094 837801180 /nfs/dbraw/zinc/80/11/80/837801180.db2.gz AGMPHBBBNAXASL-CYBMUJFWSA-N 2 2 299.378 0.747 20 0 CCADLP CC(=O)Nc1cc[nH+]c(NCCN(C)CC[NH3+])c1 ZINC001170497600 837807861 /nfs/dbraw/zinc/80/78/61/837807861.db2.gz MAOWZHAEXUFRJL-UHFFFAOYSA-N 2 2 251.334 0.342 20 0 CCADLP O=C(NCC[NH2+]Cc1ccccn1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130484157 837808618 /nfs/dbraw/zinc/80/86/18/837808618.db2.gz GGBFFADLPBRRBU-CYBMUJFWSA-N 2 2 299.378 0.747 20 0 CCADLP CC[NH2+]CCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001130490353 837812863 /nfs/dbraw/zinc/81/28/63/837812863.db2.gz BMWSRWKBZFNIES-JTQLQIEISA-N 2 2 250.346 0.549 20 0 CCADLP CC[NH2+]CCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001130490353 837812876 /nfs/dbraw/zinc/81/28/76/837812876.db2.gz BMWSRWKBZFNIES-JTQLQIEISA-N 2 2 250.346 0.549 20 0 CCADLP O=C(NCC1([NH+]2CCCC2)COC1)C12CCC[NH+]1CCC2 ZINC001183559565 844037516 /nfs/dbraw/zinc/03/75/16/844037516.db2.gz FEFVZKWHXXVYQD-UHFFFAOYSA-N 2 2 293.411 0.596 20 0 CCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001183765245 844085497 /nfs/dbraw/zinc/08/54/97/844085497.db2.gz RBTRTSFGPLJONX-CHWSQXEVSA-N 2 2 292.383 0.018 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)CCc1ccc(N)[nH+]c1 ZINC001183936014 844114017 /nfs/dbraw/zinc/11/40/17/844114017.db2.gz PLEYONSSDJWALX-JTQLQIEISA-N 2 2 250.346 0.663 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncccc1Cl ZINC001169067399 836124244 /nfs/dbraw/zinc/12/42/44/836124244.db2.gz RXGWBYFOYZYIQX-MRVPVSSYSA-N 2 2 252.705 0.783 20 0 CCADLP COc1ncc(Cl)nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169071887 836126068 /nfs/dbraw/zinc/12/60/68/836126068.db2.gz OLTNAEUPYKFBCQ-SSDOTTSWSA-N 2 2 283.719 0.186 20 0 CCADLP Cc1nc2c(-n3c[nH+]cc3C[C@@H]([NH3+])CO)cccn2n1 ZINC001169074561 836127047 /nfs/dbraw/zinc/12/70/47/836127047.db2.gz RLFNCZKOTNUBHL-SNVBAGLBSA-N 2 2 272.312 0.086 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cccc2c1CC[C@@H]2[NH3+] ZINC001169073823 836127525 /nfs/dbraw/zinc/12/75/25/836127525.db2.gz DTCDNXYJNGZKAG-YGRLFVJLSA-N 3 2 272.352 0.680 20 0 CCADLP NC(=O)Nc1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cc1 ZINC001169075123 836129029 /nfs/dbraw/zinc/12/90/29/836129029.db2.gz VXCBCVUMQTVVOD-SECBINFHSA-N 2 2 275.312 0.225 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(CCC[NH3+])CC1)C2 ZINC001169102081 836133062 /nfs/dbraw/zinc/13/30/62/836133062.db2.gz WWVRQEDNRGMXFT-FICVDOATSA-N 3 2 266.433 0.578 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(CCC[NH3+])CC1)C2 ZINC001169102081 836133065 /nfs/dbraw/zinc/13/30/65/836133065.db2.gz WWVRQEDNRGMXFT-FICVDOATSA-N 3 2 266.433 0.578 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]CCOCC(F)F ZINC001169204169 836160148 /nfs/dbraw/zinc/16/01/48/836160148.db2.gz JJYZHWVQJOTRFB-UHFFFAOYSA-N 2 2 290.314 0.330 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]C[C@H]1C[C@@]12CCOC2 ZINC001169211325 836160220 /nfs/dbraw/zinc/16/02/20/836160220.db2.gz DTGOBHURYBAGEZ-IUODEOHRSA-N 2 2 292.383 0.475 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCc2[nH+]ccn2C)CO1 ZINC001169369533 836242772 /nfs/dbraw/zinc/24/27/72/836242772.db2.gz ZFDHUOMCIVGVIJ-NEPJUHHUSA-N 2 2 281.356 0.663 20 0 CCADLP CN(c1[nH+]ncc2c1OCCN2C)C(C)(C)C[NH3+] ZINC001170053711 836797446 /nfs/dbraw/zinc/79/74/46/836797446.db2.gz YHLPJVJZXKHNAD-UHFFFAOYSA-N 2 2 251.334 0.479 20 0 CCADLP CC[C@H](C(=O)N1CC[NH+](CCCO)CC1)[NH+](CC)CC ZINC001113341182 837092566 /nfs/dbraw/zinc/09/25/66/837092566.db2.gz NCIPQPRFGBAROS-CQSZACIVSA-N 2 2 285.432 0.633 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](CCCO)CC1)CC(C)(C)C ZINC001113355657 837096519 /nfs/dbraw/zinc/09/65/19/837096519.db2.gz GZFNWJUWVHDKFM-UHFFFAOYSA-N 2 2 285.432 0.491 20 0 CCADLP COCCC[NH+]1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001113581948 837171654 /nfs/dbraw/zinc/17/16/54/837171654.db2.gz QGWULJPVTQJTRX-UHFFFAOYSA-N 2 2 280.372 0.441 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C[NH2+]CCO ZINC001184532524 844253343 /nfs/dbraw/zinc/25/33/43/844253343.db2.gz AMGNBUJSOGJHEX-CHWSQXEVSA-N 2 2 294.399 0.409 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C[NH2+]CCO ZINC001184532524 844253349 /nfs/dbraw/zinc/25/33/49/844253349.db2.gz AMGNBUJSOGJHEX-CHWSQXEVSA-N 2 2 294.399 0.409 20 0 CCADLP COC[C@@H](C)[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131656544 838171404 /nfs/dbraw/zinc/17/14/04/838171404.db2.gz RWLVABRBCLYVHE-LLVKDONJSA-N 2 2 268.361 0.093 20 0 CCADLP Cc1cc(C[NH2+]CCNC(=O)CCn2cc[nH+]c2)on1 ZINC001132080015 838313547 /nfs/dbraw/zinc/31/35/47/838313547.db2.gz XOOPGOBHSGHKSB-UHFFFAOYSA-N 2 2 277.328 0.476 20 0 CCADLP COC(=O)[C@]12CC[NH2+][C@@H]1CN(c1cccc(N)[nH+]1)CC2 ZINC001158641147 838418289 /nfs/dbraw/zinc/41/82/89/838418289.db2.gz ZAXDUBIULQJVDB-YGRLFVJLSA-N 2 2 276.340 0.395 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)o1 ZINC001132886202 838512534 /nfs/dbraw/zinc/51/25/34/838512534.db2.gz FRECPSSRQCJKEE-AAEUAGOBSA-N 2 2 294.399 0.919 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)o1 ZINC001132886202 838512538 /nfs/dbraw/zinc/51/25/38/838512538.db2.gz FRECPSSRQCJKEE-AAEUAGOBSA-N 2 2 294.399 0.919 20 0 CCADLP C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCF ZINC001133134178 838559837 /nfs/dbraw/zinc/55/98/37/838559837.db2.gz AOTFWZQAVODQCL-VXGBXAGGSA-N 2 2 282.363 0.996 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)C2CC[NH+](C)CC2)o1 ZINC001133286094 838588421 /nfs/dbraw/zinc/58/84/21/838588421.db2.gz WRKNDLKLEPPOLR-UHFFFAOYSA-N 2 2 280.372 0.531 20 0 CCADLP CCc1nnc([C@H](C)[NH2+]CCNC(=O)CC[NH+](C)C)o1 ZINC001133291179 838591088 /nfs/dbraw/zinc/59/10/88/838591088.db2.gz KUOURVIQWZZZII-JTQLQIEISA-N 2 2 283.376 0.351 20 0 CCADLP CCc1noc(C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C)n1 ZINC001133434701 838635058 /nfs/dbraw/zinc/63/50/58/838635058.db2.gz ZLRJDBDUIMQISV-CYBMUJFWSA-N 2 2 297.403 0.424 20 0 CCADLP COCCCC[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001133664338 838691031 /nfs/dbraw/zinc/69/10/31/838691031.db2.gz OXTNPYTZMKICLK-GFCCVEGCSA-N 2 2 294.399 0.962 20 0 CCADLP CC[C@@H](C(=O)NCC[NH2+]Cc1cnon1)[NH+](CC)CC ZINC001133690734 838697015 /nfs/dbraw/zinc/69/70/15/838697015.db2.gz UVUJSCRDQIFCPK-LBPRGKRZSA-N 2 2 283.376 0.396 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ncccn1 ZINC001133845273 838744234 /nfs/dbraw/zinc/74/42/34/838744234.db2.gz AHCIBFPTWPTWHB-OLZOCXBDSA-N 2 2 291.399 0.585 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]Cc1ccc(Cl)nc1 ZINC001134406798 838962587 /nfs/dbraw/zinc/96/25/87/838962587.db2.gz BPCNRYLBVVDZKU-UHFFFAOYSA-N 2 2 293.758 0.907 20 0 CCADLP C[C@@H](CC(=O)NCC[NH2+]C[C@@H]1CCCOC1)n1cc[nH+]c1 ZINC001134498929 838994146 /nfs/dbraw/zinc/99/41/46/838994146.db2.gz RYGJIWMUENBEGO-KBPBESRZSA-N 2 2 294.399 0.967 20 0 CCADLP COC[C@@H](C)[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001134517962 839000892 /nfs/dbraw/zinc/00/08/92/839000892.db2.gz YFBLQYNBJHQSBO-NEPJUHHUSA-N 2 2 268.361 0.575 20 0 CCADLP C[C@@H](C[C@H](C)[NH2+]CCCO)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134549148 839002533 /nfs/dbraw/zinc/00/25/33/839002533.db2.gz NVBBIDATGKCKOJ-RYUDHWBXSA-N 2 2 282.388 0.598 20 0 CCADLP C[C@@H](C[C@H](C)[NH2+]CCCO)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134549148 839002540 /nfs/dbraw/zinc/00/25/40/839002540.db2.gz NVBBIDATGKCKOJ-RYUDHWBXSA-N 2 2 282.388 0.598 20 0 CCADLP C[C@H](C[C@@H](C)[NH2+]CCCO)NC(=O)CCc1[nH+]ccn1C ZINC001135055410 839143280 /nfs/dbraw/zinc/14/32/80/839143280.db2.gz DZWXIMRAXGPZCG-CHWSQXEVSA-N 2 2 296.415 0.608 20 0 CCADLP COCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001135056919 839143949 /nfs/dbraw/zinc/14/39/49/839143949.db2.gz PJNRWFYVGXWJIU-OLZOCXBDSA-N 2 2 296.415 0.872 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CCOCC1CC1 ZINC001135072457 839151451 /nfs/dbraw/zinc/15/14/51/839151451.db2.gz XBLUKVBIHVYKRO-GFCCVEGCSA-N 2 2 294.399 0.721 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]CCOCC1CC1 ZINC001135072457 839151460 /nfs/dbraw/zinc/15/14/60/839151460.db2.gz XBLUKVBIHVYKRO-GFCCVEGCSA-N 2 2 294.399 0.721 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CCOC1CCC1 ZINC001135080533 839158829 /nfs/dbraw/zinc/15/88/29/839158829.db2.gz WJUJUUQAKKXKRM-LBPRGKRZSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]CCOC1CCC1 ZINC001135080533 839158832 /nfs/dbraw/zinc/15/88/32/839158832.db2.gz WJUJUUQAKKXKRM-LBPRGKRZSA-N 2 2 294.399 0.863 20 0 CCADLP CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135555858 839293215 /nfs/dbraw/zinc/29/32/15/839293215.db2.gz BWRRCKYQVUDNAZ-NWDGAFQWSA-N 2 2 282.388 0.862 20 0 CCADLP CCN(CC)c1cc(N[C@H]2C[NH2+]C[C@@H]2CO)nc[nH+]1 ZINC001159679353 839510243 /nfs/dbraw/zinc/51/02/43/839510243.db2.gz SXRJMYIHTWHCNZ-MNOVXSKESA-N 2 2 265.361 0.315 20 0 CCADLP C[C@@H]([NH3+])CC[NH2+]c1cccc(=NN2C(=O)CCC2=O)[nH]1 ZINC001170889639 839535199 /nfs/dbraw/zinc/53/51/99/839535199.db2.gz IQEHMDIDKIVYPE-SECBINFHSA-N 2 2 277.328 0.707 20 0 CCADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)cn2)CC[NH2+]1 ZINC001246119100 839628655 /nfs/dbraw/zinc/62/86/55/839628655.db2.gz BIUWHDJXDYMKFJ-WDEREUQCSA-N 2 2 283.397 0.715 20 0 CCADLP CC[C@@H]([NH3+])CN[C@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246311470 839783999 /nfs/dbraw/zinc/78/39/99/839783999.db2.gz DGCGERPOGPAONO-MXWKQRLJSA-N 2 2 257.378 0.386 20 0 CCADLP CC(C)OCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001185924825 844476314 /nfs/dbraw/zinc/47/63/14/844476314.db2.gz FTAIAERLMMPLCA-GFCCVEGCSA-N 2 2 280.372 0.568 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@]2(CC)CC[NH2+]C2)CN1 ZINC001246464674 839859761 /nfs/dbraw/zinc/85/97/61/839859761.db2.gz SKBZXILJKOXMBI-SGMGOOAPSA-N 2 2 269.389 0.402 20 0 CCADLP CN(CC(=O)Nc1ccnc(-c2cc(N)cc[nH+]2)c1)C(N)=[NH2+] ZINC001144128009 839955321 /nfs/dbraw/zinc/95/53/21/839955321.db2.gz DWRIXSPDHCWPJV-UHFFFAOYSA-N 2 2 299.338 0.490 20 0 CCADLP CCOC(=O)C[NH+]1CCC(N2C[C@@H]([NH3+])C[C@H](F)C2)CC1 ZINC001246575462 840086540 /nfs/dbraw/zinc/08/65/40/840086540.db2.gz MMGDLZUPOLENFO-RYUDHWBXSA-N 2 2 287.379 0.385 20 0 CCADLP CCOCCC[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171243522 840185895 /nfs/dbraw/zinc/18/58/95/840185895.db2.gz DFEADDCGPPMKTD-UHFFFAOYSA-N 2 2 282.388 0.485 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]C[C@H]1CCCCO1 ZINC001171244340 840186394 /nfs/dbraw/zinc/18/63/94/840186394.db2.gz NMLLXVGOYRDPLB-CQSZACIVSA-N 2 2 294.399 0.628 20 0 CCADLP C[C@H](C[C@H](C)NC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccon1 ZINC001146773326 840361324 /nfs/dbraw/zinc/36/13/24/840361324.db2.gz WUQOJOCMLNZYNL-NEPJUHHUSA-N 2 2 291.355 0.944 20 0 CCADLP CC[NH+]1CCC(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001146789248 840378479 /nfs/dbraw/zinc/37/84/79/840378479.db2.gz WOLLUTNRTMLABK-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP CC[NH+]1CCC(C(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC001146789248 840378491 /nfs/dbraw/zinc/37/84/91/840378491.db2.gz WOLLUTNRTMLABK-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@]12CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]1C[N@H+](CCO)C2 ZINC001091635882 840610138 /nfs/dbraw/zinc/61/01/38/840610138.db2.gz ZHRGIDZRTUIUKD-DOMZBBRYSA-N 2 2 292.383 0.115 20 0 CCADLP C[C@]12CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]1C[N@@H+](CCO)C2 ZINC001091635882 840610144 /nfs/dbraw/zinc/61/01/44/840610144.db2.gz ZHRGIDZRTUIUKD-DOMZBBRYSA-N 2 2 292.383 0.115 20 0 CCADLP CN1C(=O)CC[C@H]2C[N@H+]([C@H]3CCC[NH2+]C3)CC[C@H]21 ZINC001246990420 840692231 /nfs/dbraw/zinc/69/22/31/840692231.db2.gz TWZKGENOVSYDNK-RWMBFGLXSA-N 2 2 251.374 0.681 20 0 CCADLP CN1C(=O)CC[C@H]2C[N@@H+]([C@H]3CCC[NH2+]C3)CC[C@H]21 ZINC001246990420 840692235 /nfs/dbraw/zinc/69/22/35/840692235.db2.gz TWZKGENOVSYDNK-RWMBFGLXSA-N 2 2 251.374 0.681 20 0 CCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC1=O)COCC[N@H+](C)C2 ZINC001273524957 844588095 /nfs/dbraw/zinc/58/80/95/844588095.db2.gz MVDBRMYBEKZPBK-AWEZNQCLSA-N 2 2 278.356 0.101 20 0 CCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC1=O)COCC[N@@H+](C)C2 ZINC001273524957 844588100 /nfs/dbraw/zinc/58/81/00/844588100.db2.gz MVDBRMYBEKZPBK-AWEZNQCLSA-N 2 2 278.356 0.101 20 0 CCADLP C[C@H](O)CCC[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149571187 840964269 /nfs/dbraw/zinc/96/42/69/840964269.db2.gz SJQBXUIPFYRYHE-LBPRGKRZSA-N 2 2 282.388 0.220 20 0 CCADLP C([C@@H]1CC2(CO1)CCOCC2)[N@@H+]1CCC[NH2+]CC1 ZINC000712690541 841101552 /nfs/dbraw/zinc/10/15/52/841101552.db2.gz NVSULTJZFUJBDC-ZDUSSCGKSA-N 2 2 254.374 0.867 20 0 CCADLP C([C@@H]1CC2(CO1)CCOCC2)[N@H+]1CCC[NH2+]CC1 ZINC000712690541 841101556 /nfs/dbraw/zinc/10/15/56/841101556.db2.gz NVSULTJZFUJBDC-ZDUSSCGKSA-N 2 2 254.374 0.867 20 0 CCADLP [NH3+]CC12CC(C1)C[N@@H+]2C[C@H]1CC2(CO1)CCOCC2 ZINC000712629097 841102282 /nfs/dbraw/zinc/10/22/82/841102282.db2.gz VMZAFEKAHSEVTF-JVWICGRDSA-N 2 2 266.385 0.995 20 0 CCADLP [NH3+]CC12CC(C1)C[N@H+]2C[C@H]1CC2(CO1)CCOCC2 ZINC000712629097 841102287 /nfs/dbraw/zinc/10/22/87/841102287.db2.gz VMZAFEKAHSEVTF-JVWICGRDSA-N 2 2 266.385 0.995 20 0 CCADLP [NH3+]CC[N@H+](CCO)[C@@H]1CCc2c(F)cccc2C1 ZINC001171393070 841119630 /nfs/dbraw/zinc/11/96/30/841119630.db2.gz BWFKLSIGQJXDIH-GFCCVEGCSA-N 2 2 252.333 0.936 20 0 CCADLP [NH3+]CC[N@@H+](CCO)[C@@H]1CCc2c(F)cccc2C1 ZINC001171393070 841119632 /nfs/dbraw/zinc/11/96/32/841119632.db2.gz BWFKLSIGQJXDIH-GFCCVEGCSA-N 2 2 252.333 0.936 20 0 CCADLP O[C@H](C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)C(F)(F)F ZINC000714994174 841237891 /nfs/dbraw/zinc/23/78/91/841237891.db2.gz GUPQBZDKLHFWCO-KXUCPTDWSA-N 2 2 252.280 0.984 20 0 CCADLP O[C@H](C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)C(F)(F)F ZINC000714994174 841237898 /nfs/dbraw/zinc/23/78/98/841237898.db2.gz GUPQBZDKLHFWCO-KXUCPTDWSA-N 2 2 252.280 0.984 20 0 CCADLP CS(=O)(=O)C1CC([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000716071018 841433999 /nfs/dbraw/zinc/43/39/99/841433999.db2.gz GZXBTYLHWBXIOW-UHFFFAOYSA-N 2 2 271.386 0.829 20 0 CCADLP Cc1nc(NCCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)cc[nH+]1 ZINC001094118972 841537039 /nfs/dbraw/zinc/53/70/39/841537039.db2.gz NRDBFQOMQNALKR-ZYHUDNBSSA-N 2 2 277.372 0.511 20 0 CCADLP Cc1nc(NCCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)cc[nH+]1 ZINC001094118972 841537041 /nfs/dbraw/zinc/53/70/41/841537041.db2.gz NRDBFQOMQNALKR-ZYHUDNBSSA-N 2 2 277.372 0.511 20 0 CCADLP Cc1nc(NCCNC(=O)C[N@@H+](C)C2CCC2)cc[nH+]1 ZINC001094221770 841559209 /nfs/dbraw/zinc/55/92/09/841559209.db2.gz PWNJDPDIYGDEIG-UHFFFAOYSA-N 2 2 277.372 0.797 20 0 CCADLP Cc1nc(NCCNC(=O)C[N@H+](C)C2CCC2)cc[nH+]1 ZINC001094221770 841559220 /nfs/dbraw/zinc/55/92/20/841559220.db2.gz PWNJDPDIYGDEIG-UHFFFAOYSA-N 2 2 277.372 0.797 20 0 CCADLP O=C1C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CN1CC1CC1 ZINC000716758348 841678360 /nfs/dbraw/zinc/67/83/60/841678360.db2.gz LMYHYCIJYNXNGP-LQTRTAQESA-N 2 2 275.396 0.583 20 0 CCADLP Cc1[nH+]ccn1-c1ccc(Nc2nccnc2C[NH3+])nn1 ZINC001171449549 841693952 /nfs/dbraw/zinc/69/39/52/841693952.db2.gz HOSBVIBJLOCHKX-UHFFFAOYSA-N 2 2 282.311 0.963 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N1CCC([NH2+]CCO)CC1 ZINC001204069802 841738923 /nfs/dbraw/zinc/73/89/23/841738923.db2.gz VKZIKRBKDWPGRU-UHFFFAOYSA-N 2 2 280.372 0.236 20 0 CCADLP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@H]1CCN(C2CC2)C(=O)C1 ZINC001172006893 841787757 /nfs/dbraw/zinc/78/77/57/841787757.db2.gz RGVQWBTUDNDVRW-CMPLNLGQSA-N 2 2 283.372 0.010 20 0 CCADLP CCN1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCOCC3)C2)CC1=O ZINC001172032160 841810235 /nfs/dbraw/zinc/81/02/35/841810235.db2.gz MLXYHMWCADTZGU-KBPBESRZSA-N 2 2 295.427 0.840 20 0 CCADLP CCN1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CCOCC3)C2)CC1=O ZINC001172032160 841810247 /nfs/dbraw/zinc/81/02/47/841810247.db2.gz MLXYHMWCADTZGU-KBPBESRZSA-N 2 2 295.427 0.840 20 0 CCADLP CC(=O)NC1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172124014 841854209 /nfs/dbraw/zinc/85/42/09/841854209.db2.gz IPTQLCWDSLSZLX-WDNDVIMCSA-N 2 2 251.374 0.822 20 0 CCADLP CC(=O)NC1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172124014 841854216 /nfs/dbraw/zinc/85/42/16/841854216.db2.gz IPTQLCWDSLSZLX-WDNDVIMCSA-N 2 2 251.374 0.822 20 0 CCADLP COCCC[NH+]1CCC([NH2+][C@H]2COC(=O)C2)CC1 ZINC001172247357 841910210 /nfs/dbraw/zinc/91/02/10/841910210.db2.gz MRRZSBNGSZFEDB-GFCCVEGCSA-N 2 2 256.346 0.392 20 0 CCADLP CNc1nccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)n1 ZINC001206175203 841967384 /nfs/dbraw/zinc/96/73/84/841967384.db2.gz SGXXPDSNJWRSOW-MNOVXSKESA-N 2 2 253.325 0.780 20 0 CCADLP CNc1nccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)n1 ZINC001206175203 841967390 /nfs/dbraw/zinc/96/73/90/841967390.db2.gz SGXXPDSNJWRSOW-MNOVXSKESA-N 2 2 253.325 0.780 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173735566 842134914 /nfs/dbraw/zinc/13/49/14/842134914.db2.gz UKWDIYULUKASDF-YNEHKIRRSA-N 2 2 264.377 0.841 20 0 CCADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173735566 842134917 /nfs/dbraw/zinc/13/49/17/842134917.db2.gz UKWDIYULUKASDF-YNEHKIRRSA-N 2 2 264.377 0.841 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]CCC[C@@H](C)O ZINC001174692499 842201367 /nfs/dbraw/zinc/20/13/67/842201367.db2.gz VBGRNRJTNCYYRS-LLVKDONJSA-N 2 2 282.388 0.518 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCCC[NH2+]CC(N)=O ZINC001176351176 842362796 /nfs/dbraw/zinc/36/27/96/842362796.db2.gz QOANFYMYICYWLJ-JTQLQIEISA-N 2 2 295.387 0.011 20 0 CCADLP CCCC[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001176676752 842397771 /nfs/dbraw/zinc/39/77/71/842397771.db2.gz XYSOYICJMVACRE-HNNXBMFYSA-N 2 2 297.443 0.993 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001176832055 842418921 /nfs/dbraw/zinc/41/89/21/842418921.db2.gz GIYRPPRSVSWNJI-CYBMUJFWSA-N 2 2 278.356 0.275 20 0 CCADLP CC[C@H]([NH2+]CCCNC(=O)CCCn1cc[nH+]c1)C(N)=O ZINC001177351600 842562982 /nfs/dbraw/zinc/56/29/82/842562982.db2.gz JJJCMKOPDUCQOB-LBPRGKRZSA-N 2 2 295.387 0.023 20 0 CCADLP CC[C@@H](F)C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177404772 842579003 /nfs/dbraw/zinc/57/90/03/842579003.db2.gz GWWHVAUDINDUDO-LLVKDONJSA-N 2 2 256.325 0.727 20 0 CCADLP CC[C@H](C[NH2+]CCCNC(=O)Cn1cc[nH+]c1)OC ZINC001177405526 842579223 /nfs/dbraw/zinc/57/92/23/842579223.db2.gz NXWRMERBBNMQGM-GFCCVEGCSA-N 2 2 268.361 0.404 20 0 CCADLP Cc1cc(C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)no1 ZINC001177411332 842585049 /nfs/dbraw/zinc/58/50/49/842585049.db2.gz HWHGNFRDQBRTIB-UHFFFAOYSA-N 2 2 277.328 0.476 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NCc2c[nH+]c3n2CCC3)C1 ZINC001177740602 842665274 /nfs/dbraw/zinc/66/52/74/842665274.db2.gz VGVPGQMMSGUFCV-LLVKDONJSA-N 2 2 262.357 0.787 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NCc2c[nH+]c3n2CCC3)C1 ZINC001177740602 842665277 /nfs/dbraw/zinc/66/52/77/842665277.db2.gz VGVPGQMMSGUFCV-LLVKDONJSA-N 2 2 262.357 0.787 20 0 CCADLP C[NH+]1CCN(CC(=O)NCc2[nH+]cn3ccccc23)CC1 ZINC001178956439 842947277 /nfs/dbraw/zinc/94/72/77/842947277.db2.gz SSLKNIPXPIWCAD-UHFFFAOYSA-N 2 2 287.367 0.198 20 0 CCADLP C[C@H]([NH2+]CCCCCCNC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001179902131 843078045 /nfs/dbraw/zinc/07/80/45/843078045.db2.gz GOYZETOAWVHINO-NSHDSACASA-N 2 2 295.387 0.092 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001180007021 843098597 /nfs/dbraw/zinc/09/85/97/843098597.db2.gz PLUAZIHIXWEVMA-WXHSDQCUSA-N 2 2 294.399 0.875 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCCCCCC[NH2+]CCO ZINC001180178308 843112272 /nfs/dbraw/zinc/11/22/72/843112272.db2.gz DZMJXOVLKDQMKN-UHFFFAOYSA-N 2 2 296.415 0.611 20 0 CCADLP C[C@@H](O)C[NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1 ZINC001180470723 843186103 /nfs/dbraw/zinc/18/61/03/843186103.db2.gz RDDAQHXNVFIBAC-CYBMUJFWSA-N 2 2 282.388 0.530 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2Cc3ccccc3C[C@H]2C[NH3+])C1 ZINC001180761603 843293919 /nfs/dbraw/zinc/29/39/19/843293919.db2.gz BUZYHYREVJUUOS-LSDHHAIUSA-N 2 2 289.379 0.229 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2Cc3ccccc3C[C@H]2C[NH3+])C1 ZINC001180761603 843293927 /nfs/dbraw/zinc/29/39/27/843293927.db2.gz BUZYHYREVJUUOS-LSDHHAIUSA-N 2 2 289.379 0.229 20 0 CCADLP COc1cc(N2CCN(C(=O)[C@H](C)[NH+](C)C)CC2)cc[nH+]1 ZINC001180862092 843326618 /nfs/dbraw/zinc/32/66/18/843326618.db2.gz WVWWMPSZNYGIJS-LBPRGKRZSA-N 2 2 292.383 0.689 20 0 CCADLP Cc1cnc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001151057430 843595790 /nfs/dbraw/zinc/59/57/90/843595790.db2.gz TVBYGEPCZVVMDG-VXGBXAGGSA-N 2 2 280.372 0.702 20 0 CCADLP Cc1cnc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001151057430 843595793 /nfs/dbraw/zinc/59/57/93/843595793.db2.gz TVBYGEPCZVVMDG-VXGBXAGGSA-N 2 2 280.372 0.702 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC001181981551 843659756 /nfs/dbraw/zinc/65/97/56/843659756.db2.gz GOLOMBGZSOKFFV-CHWSQXEVSA-N 2 2 269.389 0.164 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC001181981551 843659758 /nfs/dbraw/zinc/65/97/58/843659758.db2.gz GOLOMBGZSOKFFV-CHWSQXEVSA-N 2 2 269.389 0.164 20 0 CCADLP CC(C)[NH+]1CC[C@@H](C(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC001181981551 843659760 /nfs/dbraw/zinc/65/97/60/843659760.db2.gz GOLOMBGZSOKFFV-CHWSQXEVSA-N 2 2 269.389 0.164 20 0 CCADLP CC(C)[NH+]1CC[C@@H](C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001181981551 843659762 /nfs/dbraw/zinc/65/97/62/843659762.db2.gz GOLOMBGZSOKFFV-CHWSQXEVSA-N 2 2 269.389 0.164 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC2CC2)C1 ZINC001182557779 843854934 /nfs/dbraw/zinc/85/49/34/843854934.db2.gz NQRSVTCEZXNXAI-KBPBESRZSA-N 2 2 281.400 0.308 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC2CC2)C1 ZINC001182557779 843854941 /nfs/dbraw/zinc/85/49/41/843854941.db2.gz NQRSVTCEZXNXAI-KBPBESRZSA-N 2 2 281.400 0.308 20 0 CCADLP C[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC2CC2)C1 ZINC001182557779 843854949 /nfs/dbraw/zinc/85/49/49/843854949.db2.gz NQRSVTCEZXNXAI-KBPBESRZSA-N 2 2 281.400 0.308 20 0 CCADLP C[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2CC2CC2)C1 ZINC001182557779 843854959 /nfs/dbraw/zinc/85/49/59/843854959.db2.gz NQRSVTCEZXNXAI-KBPBESRZSA-N 2 2 281.400 0.308 20 0 CCADLP Cc1nc(NC2(CNC(=O)CC[NH+](C)C)CC2)cc[nH+]1 ZINC001110325518 843962355 /nfs/dbraw/zinc/96/23/55/843962355.db2.gz WMOIMZYAJNVYOM-UHFFFAOYSA-N 2 2 277.372 0.797 20 0 CCADLP COCCC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001188346437 844871158 /nfs/dbraw/zinc/87/11/58/844871158.db2.gz OETFJAAWEJGZKT-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001188346789 844872039 /nfs/dbraw/zinc/87/20/39/844872039.db2.gz VYTIZMWZNFURCS-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP O=C(NCC[NH2+]CCO)c1ccccc1-n1cc[nH+]c1 ZINC001190100138 845321052 /nfs/dbraw/zinc/32/10/52/845321052.db2.gz PPVQCXSQRKMAER-UHFFFAOYSA-N 2 2 274.324 0.184 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@@H]([N@H+](C)CCCO)C1 ZINC001191478756 845657575 /nfs/dbraw/zinc/65/75/75/845657575.db2.gz LHROYABIBLAVAI-CYBMUJFWSA-N 2 2 294.399 0.268 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@@H]([N@@H+](C)CCCO)C1 ZINC001191478756 845657581 /nfs/dbraw/zinc/65/75/81/845657581.db2.gz LHROYABIBLAVAI-CYBMUJFWSA-N 2 2 294.399 0.268 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1O ZINC001192581223 845879069 /nfs/dbraw/zinc/87/90/69/845879069.db2.gz WWLMFFOPUSZZRU-CHWSQXEVSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1O ZINC001192581223 845879072 /nfs/dbraw/zinc/87/90/72/845879072.db2.gz WWLMFFOPUSZZRU-CHWSQXEVSA-N 2 2 292.383 0.304 20 0 CCADLP CCOCCC[N@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193047697 845963876 /nfs/dbraw/zinc/96/38/76/845963876.db2.gz JITIMPIIQVHBET-CYBMUJFWSA-N 2 2 294.399 0.912 20 0 CCADLP CCOCCC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193047697 845963882 /nfs/dbraw/zinc/96/38/82/845963882.db2.gz JITIMPIIQVHBET-CYBMUJFWSA-N 2 2 294.399 0.912 20 0 CCADLP CC[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195128603 846469035 /nfs/dbraw/zinc/46/90/35/846469035.db2.gz LLDXBEHLMJLOCJ-MGPQQGTHSA-N 2 2 294.399 0.481 20 0 CCADLP CC[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195128603 846469037 /nfs/dbraw/zinc/46/90/37/846469037.db2.gz LLDXBEHLMJLOCJ-MGPQQGTHSA-N 2 2 294.399 0.481 20 0 CCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001195709271 846606214 /nfs/dbraw/zinc/60/62/14/846606214.db2.gz ZFQNFYRUWJWUBJ-CZVUKNJHSA-N 2 2 289.807 0.242 20 0 CCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O ZINC001195709271 846606210 /nfs/dbraw/zinc/60/62/10/846606210.db2.gz ZFQNFYRUWJWUBJ-CZVUKNJHSA-N 2 2 289.807 0.242 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]Cc1cnsn1 ZINC001152433042 847079784 /nfs/dbraw/zinc/07/97/84/847079784.db2.gz RQCVKZFWGXAJME-UHFFFAOYSA-N 2 2 271.390 0.084 20 0 CCADLP CCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCCO1 ZINC001200655040 847679125 /nfs/dbraw/zinc/67/91/25/847679125.db2.gz RRFROPIOBUVFOW-AWEZNQCLSA-N 2 2 294.399 0.959 20 0 CCADLP CCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCCO1 ZINC001200655040 847679130 /nfs/dbraw/zinc/67/91/30/847679130.db2.gz RRFROPIOBUVFOW-AWEZNQCLSA-N 2 2 294.399 0.959 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCCO[C@H](C[NH2+]CCCF)C1 ZINC001201727096 847806718 /nfs/dbraw/zinc/80/67/18/847806718.db2.gz RWRZGZSLLLWXLC-GFCCVEGCSA-N 2 2 298.362 0.519 20 0 CCADLP CC(C)OC[C@H](O)C[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001252681342 848059472 /nfs/dbraw/zinc/05/94/72/848059472.db2.gz MCQBMQJDGDLUNZ-BFHYXJOUSA-N 2 2 256.390 0.798 20 0 CCADLP CC(C)OC[C@H](O)C[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001252681342 848059480 /nfs/dbraw/zinc/05/94/80/848059480.db2.gz MCQBMQJDGDLUNZ-BFHYXJOUSA-N 2 2 256.390 0.798 20 0 CCADLP CC(C)OC[C@H](O)C[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001252681342 848059482 /nfs/dbraw/zinc/05/94/82/848059482.db2.gz MCQBMQJDGDLUNZ-BFHYXJOUSA-N 2 2 256.390 0.798 20 0 CCADLP CC(C)OC[C@H](O)C[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001252681342 848059487 /nfs/dbraw/zinc/05/94/87/848059487.db2.gz MCQBMQJDGDLUNZ-BFHYXJOUSA-N 2 2 256.390 0.798 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC(N2CCOC2=O)CC1 ZINC001253188468 848153166 /nfs/dbraw/zinc/15/31/66/848153166.db2.gz ZDYLDRWISCYWSN-CQSZACIVSA-N 2 2 299.415 0.606 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000717307336 848225988 /nfs/dbraw/zinc/22/59/88/848225988.db2.gz LDUYEXTUJWOYIQ-OLZOCXBDSA-N 2 2 272.776 0.886 20 0 CCADLP C[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001110877195 848420279 /nfs/dbraw/zinc/42/02/79/848420279.db2.gz HHFCJMHERDIBMQ-SYQHCUMBSA-N 2 2 292.383 0.376 20 0 CCADLP C[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001110877195 848420282 /nfs/dbraw/zinc/42/02/82/848420282.db2.gz HHFCJMHERDIBMQ-SYQHCUMBSA-N 2 2 292.383 0.376 20 0 CCADLP CCOCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001274301105 848443470 /nfs/dbraw/zinc/44/34/70/848443470.db2.gz ZXOXCHPLAQWFNJ-QWHCGFSZSA-N 2 2 280.372 0.356 20 0 CCADLP C[C@@H]1CC[C@H](C[NH2+]C/C=C/CNC(=O)Cc2c[nH]c[nH+]2)O1 ZINC001274395043 848467000 /nfs/dbraw/zinc/46/70/00/848467000.db2.gz SLYHSRBYXGGWKS-SDEBIZQBSA-N 2 2 292.383 0.782 20 0 CCADLP COCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001274818224 848573554 /nfs/dbraw/zinc/57/35/54/848573554.db2.gz IWRUJMXHSUCVQZ-VXGBXAGGSA-N 2 2 280.372 0.186 20 0 CCADLP C[C@H](C[NH2+]CCF)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001274818179 848573896 /nfs/dbraw/zinc/57/38/96/848573896.db2.gz IJGBZVDZBAPSBO-GHMZBOCLSA-N 2 2 268.336 0.509 20 0 CCADLP c1nn[nH]c1C[NH+]1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001275225479 848672140 /nfs/dbraw/zinc/67/21/40/848672140.db2.gz BSNHOHYJQSECTF-UHFFFAOYSA-N 2 2 287.371 0.626 20 0 CCADLP c1n[nH]cc1C[NH+]1CC2(C1)CC[NH+](Cc1cn[nH]n1)CC2 ZINC001275225479 848672144 /nfs/dbraw/zinc/67/21/44/848672144.db2.gz BSNHOHYJQSECTF-UHFFFAOYSA-N 2 2 287.371 0.626 20 0 CCADLP C[NH+](C)CCN1CCC12C[NH+](Cc1ccccn1)C2 ZINC001275874555 848852235 /nfs/dbraw/zinc/85/22/35/848852235.db2.gz VIVNQOVGIMKRDF-UHFFFAOYSA-N 2 2 260.385 0.903 20 0 CCADLP COCCC[N@H+](C)[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001275963192 848875669 /nfs/dbraw/zinc/87/56/69/848875669.db2.gz NCRRNRIEFXFCNV-NSHDSACASA-N 2 2 268.361 0.425 20 0 CCADLP COCCC[N@@H+](C)[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001275963192 848875674 /nfs/dbraw/zinc/87/56/74/848875674.db2.gz NCRRNRIEFXFCNV-NSHDSACASA-N 2 2 268.361 0.425 20 0 CCADLP COc1cc(C[NH+]2CC3(CN(CC[NH+](C)C)C3)C2)ccn1 ZINC001276085538 848919033 /nfs/dbraw/zinc/91/90/33/848919033.db2.gz JISCFZZXWUDIJR-UHFFFAOYSA-N 2 2 290.411 0.769 20 0 CCADLP C[NH+](C)CCN1CCC2(C[NH+](Cc3ccc(CO)o3)C2)C1 ZINC001276096832 848927272 /nfs/dbraw/zinc/92/72/72/848927272.db2.gz FQKOTXBOVNIVJR-UHFFFAOYSA-N 2 2 293.411 0.841 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](OC)CC[C@H]1C ZINC000687198306 849094718 /nfs/dbraw/zinc/09/47/18/849094718.db2.gz RLQKXJLHLLTQSZ-HZSPNIEDSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](OC)CC[C@H]1C ZINC000687198306 849094723 /nfs/dbraw/zinc/09/47/23/849094723.db2.gz RLQKXJLHLLTQSZ-HZSPNIEDSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](OC)CC[C@H]1C ZINC000687198306 849094735 /nfs/dbraw/zinc/09/47/35/849094735.db2.gz RLQKXJLHLLTQSZ-HZSPNIEDSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](OC)CC[C@H]1C ZINC000687198306 849094738 /nfs/dbraw/zinc/09/47/38/849094738.db2.gz RLQKXJLHLLTQSZ-HZSPNIEDSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001038411570 849884873 /nfs/dbraw/zinc/88/48/73/849884873.db2.gz JVLHFBGYOHWJSU-CHWSQXEVSA-N 2 2 292.383 0.282 20 0 CCADLP COCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001038411570 849884885 /nfs/dbraw/zinc/88/48/85/849884885.db2.gz JVLHFBGYOHWJSU-CHWSQXEVSA-N 2 2 292.383 0.282 20 0 CCADLP COCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001038715419 849995268 /nfs/dbraw/zinc/99/52/68/849995268.db2.gz FYBDXJKAYHMKAQ-JHJVBQTASA-N 2 2 292.383 0.361 20 0 CCADLP COCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001038715419 849995273 /nfs/dbraw/zinc/99/52/73/849995273.db2.gz FYBDXJKAYHMKAQ-JHJVBQTASA-N 2 2 292.383 0.361 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1CC[N@@H+]1CCCO ZINC001038935443 850092479 /nfs/dbraw/zinc/09/24/79/850092479.db2.gz OAEKKXOYRCNLQO-LBPRGKRZSA-N 2 2 292.383 0.334 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1CC[N@H+]1CCCO ZINC001038935443 850092490 /nfs/dbraw/zinc/09/24/90/850092490.db2.gz OAEKKXOYRCNLQO-LBPRGKRZSA-N 2 2 292.383 0.334 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2Cc2ccccn2)C1 ZINC001039007560 850116354 /nfs/dbraw/zinc/11/63/54/850116354.db2.gz QXMZIHLOBBSEKZ-UKRRQHHQSA-N 2 2 288.395 0.724 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+]2Cc2ccccn2)C1 ZINC001039007560 850116360 /nfs/dbraw/zinc/11/63/60/850116360.db2.gz QXMZIHLOBBSEKZ-UKRRQHHQSA-N 2 2 288.395 0.724 20 0 CCADLP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccn2)C1 ZINC001039007560 850116366 /nfs/dbraw/zinc/11/63/66/850116366.db2.gz QXMZIHLOBBSEKZ-UKRRQHHQSA-N 2 2 288.395 0.724 20 0 CCADLP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+]2Cc2ccccn2)C1 ZINC001039007560 850116373 /nfs/dbraw/zinc/11/63/73/850116373.db2.gz QXMZIHLOBBSEKZ-UKRRQHHQSA-N 2 2 288.395 0.724 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc3n2CCOC3)CC[N@@H+]1C ZINC000722820193 850159292 /nfs/dbraw/zinc/15/92/92/850159292.db2.gz HYGDBEBZLQUATO-NEPJUHHUSA-N 2 2 264.373 0.986 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnc3n2CCOC3)CC[N@H+]1C ZINC000722820193 850159296 /nfs/dbraw/zinc/15/92/96/850159296.db2.gz HYGDBEBZLQUATO-NEPJUHHUSA-N 2 2 264.373 0.986 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]Cc2cnc3n2CCOC3)CC[N@@H+]1C ZINC000722820195 850159831 /nfs/dbraw/zinc/15/98/31/850159831.db2.gz HYGDBEBZLQUATO-RYUDHWBXSA-N 2 2 264.373 0.986 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]Cc2cnc3n2CCOC3)CC[N@H+]1C ZINC000722820195 850159838 /nfs/dbraw/zinc/15/98/38/850159838.db2.gz HYGDBEBZLQUATO-RYUDHWBXSA-N 2 2 264.373 0.986 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC2(C1)CC[NH+](CCO)CC2 ZINC001040953417 850330906 /nfs/dbraw/zinc/33/09/06/850330906.db2.gz AWUOWRXGKZXHOJ-UHFFFAOYSA-N 2 2 292.383 0.190 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001041524102 850458616 /nfs/dbraw/zinc/45/86/16/850458616.db2.gz SYMYOTKXYFRDMV-OAHLLOKOSA-N 2 2 292.383 0.190 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001041524102 850458624 /nfs/dbraw/zinc/45/86/24/850458624.db2.gz SYMYOTKXYFRDMV-OAHLLOKOSA-N 2 2 292.383 0.190 20 0 CCADLP COCC[N@@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001041856115 850511495 /nfs/dbraw/zinc/51/14/95/850511495.db2.gz YOSRXXXQDMOVJA-HNNXBMFYSA-N 2 2 292.383 0.454 20 0 CCADLP COCC[N@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001041856115 850511501 /nfs/dbraw/zinc/51/15/01/850511501.db2.gz YOSRXXXQDMOVJA-HNNXBMFYSA-N 2 2 292.383 0.454 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001042176434 850587336 /nfs/dbraw/zinc/58/73/36/850587336.db2.gz NQHVVUWSPQGLFI-KGLIPLIRSA-N 2 2 292.383 0.188 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001042176434 850587342 /nfs/dbraw/zinc/58/73/42/850587342.db2.gz 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COC[C@H](C)[NH+]1CC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001043875738 850955444 /nfs/dbraw/zinc/95/54/44/850955444.db2.gz MUUDVVWWELYRCA-STQMWFEESA-N 2 2 283.416 0.506 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001044186276 851035535 /nfs/dbraw/zinc/03/55/35/851035535.db2.gz MMZKGFFKLBVPTB-GFCCVEGCSA-N 2 2 269.389 0.117 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001044186276 851035542 /nfs/dbraw/zinc/03/55/42/851035542.db2.gz MMZKGFFKLBVPTB-GFCCVEGCSA-N 2 2 269.389 0.117 20 0 CCADLP CCCC[NH+]1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001044368811 851089201 /nfs/dbraw/zinc/08/92/01/851089201.db2.gz VYERCQRHZNJJRK-UHFFFAOYSA-N 2 2 250.346 0.826 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CC2CCC2)C1 ZINC001044972765 851197362 /nfs/dbraw/zinc/19/73/62/851197362.db2.gz AWXQZZFABDBVOO-LSDHHAIUSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CC2CCC2)C1 ZINC001044972765 851197368 /nfs/dbraw/zinc/19/73/68/851197368.db2.gz AWXQZZFABDBVOO-LSDHHAIUSA-N 2 2 295.427 0.698 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001045793094 851314326 /nfs/dbraw/zinc/31/43/26/851314326.db2.gz OEGUBSSTRLKATN-KGLIPLIRSA-N 2 2 292.383 0.400 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001045793094 851314330 /nfs/dbraw/zinc/31/43/30/851314330.db2.gz OEGUBSSTRLKATN-KGLIPLIRSA-N 2 2 292.383 0.400 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001045793094 851314339 /nfs/dbraw/zinc/31/43/39/851314339.db2.gz OEGUBSSTRLKATN-KGLIPLIRSA-N 2 2 292.383 0.400 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001045793094 851314348 /nfs/dbraw/zinc/31/43/48/851314348.db2.gz OEGUBSSTRLKATN-KGLIPLIRSA-N 2 2 292.383 0.400 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[NH+](CCF)C1 ZINC001046197814 851418828 /nfs/dbraw/zinc/41/88/28/851418828.db2.gz QWWUIMHXDYLDJF-DGCLKSJQSA-N 2 2 257.353 0.631 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[NH+](CCF)C1 ZINC001046197814 851418836 /nfs/dbraw/zinc/41/88/36/851418836.db2.gz QWWUIMHXDYLDJF-DGCLKSJQSA-N 2 2 257.353 0.631 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[N@H+](CCF)C1 ZINC001046197814 851418839 /nfs/dbraw/zinc/41/88/39/851418839.db2.gz QWWUIMHXDYLDJF-DGCLKSJQSA-N 2 2 257.353 0.631 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@]1(C)CC[N@@H+](CCF)C1 ZINC001046197814 851418846 /nfs/dbraw/zinc/41/88/46/851418846.db2.gz QWWUIMHXDYLDJF-DGCLKSJQSA-N 2 2 257.353 0.631 20 0 CCADLP CC(C)=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001047545251 851809992 /nfs/dbraw/zinc/80/99/92/851809992.db2.gz OLKHASDYRLCTHH-KBPBESRZSA-N 2 2 292.383 0.422 20 0 CCADLP CC(C)=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001047545251 851809995 /nfs/dbraw/zinc/80/99/95/851809995.db2.gz OLKHASDYRLCTHH-KBPBESRZSA-N 2 2 292.383 0.422 20 0 CCADLP CC[C@@H](C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001047545367 851811378 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ZCCRPNGJWQUULR-MCIONIFRSA-N 2 2 288.395 0.856 20 0 CCADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCO[C@@]23CCOC3)C1 ZINC000903104681 852137771 /nfs/dbraw/zinc/13/77/71/852137771.db2.gz KXHTYGMVHPNPID-HZSPNIEDSA-N 2 2 254.374 0.866 20 0 CCADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCO[C@@]23CCOC3)C1 ZINC000903104681 852137776 /nfs/dbraw/zinc/13/77/76/852137776.db2.gz KXHTYGMVHPNPID-HZSPNIEDSA-N 2 2 254.374 0.866 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[N@H+](CCCF)C[C@@H]2C1 ZINC001049083428 852158144 /nfs/dbraw/zinc/15/81/44/852158144.db2.gz CUVSTLLVSSMNFK-TXEJJXNPSA-N 2 2 280.347 0.702 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[N@@H+](CCCF)C[C@@H]2C1 ZINC001049083428 852158150 /nfs/dbraw/zinc/15/81/50/852158150.db2.gz CUVSTLLVSSMNFK-TXEJJXNPSA-N 2 2 280.347 0.702 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCC[C@H]2[C@H]1CC[N@H+]2CCO ZINC001049622943 852319821 /nfs/dbraw/zinc/31/98/21/852319821.db2.gz AFCTWBZAQRCVLK-UONOGXRCSA-N 2 2 292.383 0.331 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCO ZINC001049622943 852319827 /nfs/dbraw/zinc/31/98/27/852319827.db2.gz AFCTWBZAQRCVLK-UONOGXRCSA-N 2 2 292.383 0.331 20 0 CCADLP COCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001049750790 852366921 /nfs/dbraw/zinc/36/69/21/852366921.db2.gz NQWVNKYUYGGXSE-UONOGXRCSA-N 2 2 292.383 0.664 20 0 CCADLP COCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001049750790 852366927 /nfs/dbraw/zinc/36/69/27/852366927.db2.gz NQWVNKYUYGGXSE-UONOGXRCSA-N 2 2 292.383 0.664 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCF ZINC001096887447 852462555 /nfs/dbraw/zinc/46/25/55/852462555.db2.gz JZFNKDIYVMKIME-NDBYEHHHSA-N 2 2 269.364 0.772 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCF ZINC001096887447 852462568 /nfs/dbraw/zinc/46/25/68/852462568.db2.gz JZFNKDIYVMKIME-NDBYEHHHSA-N 2 2 269.364 0.772 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCF ZINC001096887447 852462570 /nfs/dbraw/zinc/46/25/70/852462570.db2.gz 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CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@H+]1CCC[C@H]1C)CO2 ZINC001053926338 852849867 /nfs/dbraw/zinc/84/98/67/852849867.db2.gz DOZXCZURDNGPEA-CHWSQXEVSA-N 2 2 281.400 0.450 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2COC3(C[NH+](CCCF)C3)C2)C1 ZINC001054007862 852866196 /nfs/dbraw/zinc/86/61/96/852866196.db2.gz NKIDBJGEJXDPQC-CHWSQXEVSA-N 2 2 299.390 0.257 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)N[C@H]2COC3(C[NH+](CCCF)C3)C2)C1 ZINC001054007862 852866202 /nfs/dbraw/zinc/86/62/02/852866202.db2.gz NKIDBJGEJXDPQC-CHWSQXEVSA-N 2 2 299.390 0.257 20 0 CCADLP O=C1CCC[C@@H](C[NH2+][C@H]2CC3CC[NH+](CC3)C2)N1 ZINC001254852222 852908318 /nfs/dbraw/zinc/90/83/18/852908318.db2.gz RRSUCYCCWCCUTD-STQMWFEESA-N 2 2 251.374 0.729 20 0 CCADLP Cc1nc(N[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)cc[nH+]1 ZINC001056586288 853175782 /nfs/dbraw/zinc/17/57/82/853175782.db2.gz XHDNQFUVWNBKJC-OLZOCXBDSA-N 2 2 289.383 0.892 20 0 CCADLP Cc1nc(N[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)cc[nH+]1 ZINC001056586288 853175785 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CCCC[N@H+]1CCOC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001051207893 853545838 /nfs/dbraw/zinc/54/58/38/853545838.db2.gz JSQGCLRGJFQULN-CQSZACIVSA-N 2 2 295.427 0.699 20 0 CCADLP CC(C)[NH2+]C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)CCO1 ZINC001051730538 853636122 /nfs/dbraw/zinc/63/61/22/853636122.db2.gz CKDKOIFKJAZERL-ZDUSSCGKSA-N 2 2 294.399 0.578 20 0 CCADLP CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCO1 ZINC001051834591 853649456 /nfs/dbraw/zinc/64/94/56/853649456.db2.gz RHRLATXKJKWIEP-YNEHKIRRSA-N 2 2 292.383 0.361 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@H](C[NH2+]CC2CC2)C1 ZINC001051916665 853660016 /nfs/dbraw/zinc/66/00/16/853660016.db2.gz JHINKZSBQKJKTA-CYBMUJFWSA-N 2 2 292.383 0.488 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCC[NH+](CCF)CC2)C1 ZINC001052276195 853722485 /nfs/dbraw/zinc/72/24/85/853722485.db2.gz ZBXGSEFKJAHOFM-QWHCGFSZSA-N 2 2 287.379 0.257 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCC[NH+](CCF)CC2)C1 ZINC001052276195 853722493 /nfs/dbraw/zinc/72/24/93/853722493.db2.gz ZBXGSEFKJAHOFM-QWHCGFSZSA-N 2 2 287.379 0.257 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCC[N@H+](CCF)CC2)C1 ZINC001052276195 853722501 /nfs/dbraw/zinc/72/25/01/853722501.db2.gz ZBXGSEFKJAHOFM-QWHCGFSZSA-N 2 2 287.379 0.257 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCF)CC2)C1 ZINC001052276195 853722510 /nfs/dbraw/zinc/72/25/10/853722510.db2.gz ZBXGSEFKJAHOFM-QWHCGFSZSA-N 2 2 287.379 0.257 20 0 CCADLP CCOC(=O)C1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000383877145 853864478 /nfs/dbraw/zinc/86/44/78/853864478.db2.gz ZOLKWMVWGRYCML-CQSZACIVSA-N 2 2 284.400 0.718 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCCC1)C[C@H]1CCCCO1 ZINC000384456839 853870334 /nfs/dbraw/zinc/87/03/34/853870334.db2.gz QCEFYKBHJNKCSQ-UONOGXRCSA-N 2 2 256.390 0.944 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C[C@H]1CCCCO1 ZINC000384456839 853870337 /nfs/dbraw/zinc/87/03/37/853870337.db2.gz QCEFYKBHJNKCSQ-UONOGXRCSA-N 2 2 256.390 0.944 20 0 CCADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC[NH2+]1 ZINC000384811342 853876615 /nfs/dbraw/zinc/87/66/15/853876615.db2.gz GQYKSSIVTIHOAY-GHMZBOCLSA-N 2 2 250.346 0.776 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[N@@H+]1CCCO ZINC001072119495 854348642 /nfs/dbraw/zinc/34/86/42/854348642.db2.gz GSQDXRSXGRXLTD-CHWSQXEVSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[N@H+]1CCCO ZINC001072119495 854348644 /nfs/dbraw/zinc/34/86/44/854348644.db2.gz GSQDXRSXGRXLTD-CHWSQXEVSA-N 2 2 280.372 0.235 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CC[N@@H+](CC2CC2)C[C@H]1O ZINC001099803652 854999697 /nfs/dbraw/zinc/99/96/97/854999697.db2.gz BISMKLYWOUBCPX-CHWSQXEVSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CC[N@H+](CC2CC2)C[C@H]1O ZINC001099803652 854999704 /nfs/dbraw/zinc/99/97/04/854999704.db2.gz BISMKLYWOUBCPX-CHWSQXEVSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCC1CC([NH2+]CCF)C1 ZINC001100293333 855139454 /nfs/dbraw/zinc/13/94/54/855139454.db2.gz OTZFRKVIYMTTDO-UHFFFAOYSA-N 2 2 268.336 0.796 20 0 CCADLP COCC[NH2+]C1CC(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001100934067 855241790 /nfs/dbraw/zinc/24/17/90/855241790.db2.gz GGJINTSLNPGFIM-UHFFFAOYSA-N 2 2 294.399 0.484 20 0 CCADLP COC[C@@H](C)[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001101069335 855259196 /nfs/dbraw/zinc/25/91/96/855259196.db2.gz MBNYUMNPRPZHRT-PNESKVBLSA-N 2 2 280.372 0.402 20 0 CCADLP Cc1nc(NCCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc[nH+]1 ZINC001101996416 855406163 /nfs/dbraw/zinc/40/61/63/855406163.db2.gz ODDFUVYESPPZDI-DGCLKSJQSA-N 2 2 291.399 0.996 20 0 CCADLP Cc1nc(NCCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc[nH+]1 ZINC001101996416 855406168 /nfs/dbraw/zinc/40/61/68/855406168.db2.gz ODDFUVYESPPZDI-DGCLKSJQSA-N 2 2 291.399 0.996 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102513729 855441867 /nfs/dbraw/zinc/44/18/67/855441867.db2.gz ZBYPBTZGHGPQMV-JHJVBQTASA-N 2 2 294.399 0.028 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102513729 855441873 /nfs/dbraw/zinc/44/18/73/855441873.db2.gz ZBYPBTZGHGPQMV-JHJVBQTASA-N 2 2 294.399 0.028 20 0 CCADLP C[C@H](O)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC001115015351 855634792 /nfs/dbraw/zinc/63/47/92/855634792.db2.gz CLJQVJABEVNXIY-UUIJZJDISA-N 2 2 292.383 0.160 20 0 CCADLP C[C@H](O)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC001115015351 855634795 /nfs/dbraw/zinc/63/47/95/855634795.db2.gz CLJQVJABEVNXIY-UUIJZJDISA-N 2 2 292.383 0.160 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC001118312062 856252871 /nfs/dbraw/zinc/25/28/71/856252871.db2.gz SZOLEXDQWLMHEL-GFCCVEGCSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC001118312062 856252874 /nfs/dbraw/zinc/25/28/74/856252874.db2.gz SZOLEXDQWLMHEL-GFCCVEGCSA-N 2 2 294.399 0.551 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001118337278 856266661 /nfs/dbraw/zinc/26/66/61/856266661.db2.gz KYGOALCZLNJUJO-LLVKDONJSA-N 2 2 264.373 0.734 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1nnc(C2CCOCC2)[nH]1 ZINC001119031855 856533959 /nfs/dbraw/zinc/53/39/59/856533959.db2.gz RHOYUVDVBVYKTJ-VHSXEESVSA-N 2 2 267.377 0.914 20 0 CCADLP CCCN(C(=O)NCc1c[nH+]cn1C)[C@@H]1CC[NH2+]C1 ZINC001119419373 856674317 /nfs/dbraw/zinc/67/43/17/856674317.db2.gz DPIOJSIHGCQOQM-LLVKDONJSA-N 2 2 265.361 0.704 20 0 CCADLP Cc1[nH]c(CN2CC[N@H+](CCO)[C@@H](C)C2)c(C)[nH+]1 ZINC001119749965 856865477 /nfs/dbraw/zinc/86/54/77/856865477.db2.gz XYQINXCAWMOONU-JTQLQIEISA-N 2 2 252.362 0.525 20 0 CCADLP Cc1[nH]c(CN2CC[N@@H+](CCO)[C@@H](C)C2)c(C)[nH+]1 ZINC001119749965 856865480 /nfs/dbraw/zinc/86/54/80/856865480.db2.gz XYQINXCAWMOONU-JTQLQIEISA-N 2 2 252.362 0.525 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCC2([NH2+]C[C@@H](C)O)CC2)c[nH+]1 ZINC001392921543 912269601 /nfs/dbraw/zinc/26/96/01/912269601.db2.gz XTQQYDKBKUKLSI-GFCCVEGCSA-N 2 2 294.399 0.546 20 0 CCADLP C[C@H](O)CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001393011410 912323879 /nfs/dbraw/zinc/32/38/79/912323879.db2.gz ZWJDLDLBQIKMFT-ZFWWWQNUSA-N 2 2 297.443 0.774 20 0 CCADLP C[C@H](O)CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001393011410 912323893 /nfs/dbraw/zinc/32/38/93/912323893.db2.gz ZWJDLDLBQIKMFT-ZFWWWQNUSA-N 2 2 297.443 0.774 20 0 CCADLP CC(C)CC[N@@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001393270766 912479353 /nfs/dbraw/zinc/47/93/53/912479353.db2.gz HHBZENZAMFZUHI-OAHLLOKOSA-N 2 2 294.399 0.551 20 0 CCADLP CC(C)CC[N@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001393270766 912479362 /nfs/dbraw/zinc/47/93/62/912479362.db2.gz HHBZENZAMFZUHI-OAHLLOKOSA-N 2 2 294.399 0.551 20 0 CCADLP CC[C@@H](C)C[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001393580879 912661504 /nfs/dbraw/zinc/66/15/04/912661504.db2.gz DZUYVIHJVPCMEP-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP CCC[N@H+](C)CCC(=O)N1CCOC2(C[NH+](CC)C2)C1 ZINC001393653648 912703633 /nfs/dbraw/zinc/70/36/33/912703633.db2.gz QANMCKVWENPHLE-UHFFFAOYSA-N 2 2 283.416 0.651 20 0 CCADLP CCC[N@@H+](C)CCC(=O)N1CCOC2(C[NH+](CC)C2)C1 ZINC001393653648 912703645 /nfs/dbraw/zinc/70/36/45/912703645.db2.gz QANMCKVWENPHLE-UHFFFAOYSA-N 2 2 283.416 0.651 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[N@@H+]1CCO ZINC001393788549 912759824 /nfs/dbraw/zinc/75/98/24/912759824.db2.gz PALWLNSWGJKTII-CHWSQXEVSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[N@H+]1CCO ZINC001393788549 912759839 /nfs/dbraw/zinc/75/98/39/912759839.db2.gz PALWLNSWGJKTII-CHWSQXEVSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@@H]([NH2+]CCF)[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001393950076 912876462 /nfs/dbraw/zinc/87/64/62/912876462.db2.gz MKOLKCRIARWZPG-ZJUUUORDSA-N 2 2 286.351 0.802 20 0 CCADLP Cc1ncoc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001394003526 912911350 /nfs/dbraw/zinc/91/13/50/912911350.db2.gz PPJXACDKCNYGKE-WDEREUQCSA-N 2 2 291.355 0.863 20 0 CCADLP Cc1ncoc1C[NH2+][C@@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001394003525 912912848 /nfs/dbraw/zinc/91/28/48/912912848.db2.gz PPJXACDKCNYGKE-QWRGUYRKSA-N 2 2 291.355 0.863 20 0 CCADLP CC(C)[C@H](CCN(C)C(=O)Cn1cc[nH+]c1)[NH2+]CCO ZINC001394186752 913064619 /nfs/dbraw/zinc/06/46/19/913064619.db2.gz ILVKHPSTAMOBEN-ZDUSSCGKSA-N 2 2 282.388 0.338 20 0 CCADLP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]CC[C@H]1CCCO1 ZINC001394538098 913246968 /nfs/dbraw/zinc/24/69/68/913246968.db2.gz ZESLVWJWAGSSSS-TZMCWYRMSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H]([NH2+]CCF)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001325450794 913412697 /nfs/dbraw/zinc/41/26/97/913412697.db2.gz RRWYUWMMMSPOMI-QWRGUYRKSA-N 2 2 268.336 0.748 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001266331644 891452020 /nfs/dbraw/zinc/45/20/20/891452020.db2.gz STSCWRUYJZWGAF-NSHDSACASA-N 2 2 250.346 0.563 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001266331644 891452014 /nfs/dbraw/zinc/45/20/14/891452014.db2.gz STSCWRUYJZWGAF-NSHDSACASA-N 2 2 250.346 0.563 20 0 CCADLP CC[N@H+](CCNC(=O)CCc1[nH+]ccn1C)C[C@@H](C)O ZINC001480990526 892021473 /nfs/dbraw/zinc/02/14/73/892021473.db2.gz SPGJIBNWNADNTH-GFCCVEGCSA-N 2 2 282.388 0.172 20 0 CCADLP CC[N@@H+](CCNC(=O)CCc1[nH+]ccn1C)C[C@@H](C)O ZINC001480990526 892021491 /nfs/dbraw/zinc/02/14/91/892021491.db2.gz SPGJIBNWNADNTH-GFCCVEGCSA-N 2 2 282.388 0.172 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCC[N@H+]1CCF ZINC001481050680 892114745 /nfs/dbraw/zinc/11/47/45/892114745.db2.gz SCXKXMGVKPKAFY-LBPRGKRZSA-N 2 2 268.336 0.823 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+]1CCF ZINC001481050680 892114755 /nfs/dbraw/zinc/11/47/55/892114755.db2.gz SCXKXMGVKPKAFY-LBPRGKRZSA-N 2 2 268.336 0.823 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001481104037 892167768 /nfs/dbraw/zinc/16/77/68/892167768.db2.gz PTJONVKXQSIFQH-CHWSQXEVSA-N 2 2 294.399 0.172 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001481104037 892167772 /nfs/dbraw/zinc/16/77/72/892167772.db2.gz PTJONVKXQSIFQH-CHWSQXEVSA-N 2 2 294.399 0.172 20 0 CCADLP C[C@H](O)CCC[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001481125787 892198349 /nfs/dbraw/zinc/19/83/49/892198349.db2.gz JELRLXZCYBUODD-UONOGXRCSA-N 2 2 294.399 0.482 20 0 CCADLP C[C@H](O)CCC[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001481125787 892198353 /nfs/dbraw/zinc/19/83/53/892198353.db2.gz JELRLXZCYBUODD-UONOGXRCSA-N 2 2 294.399 0.482 20 0 CCADLP CCCN(C(=O)CCn1cc[nH+]c1)[C@H]1CC[N@H+](CCO)C1 ZINC001481403623 892617047 /nfs/dbraw/zinc/61/70/47/892617047.db2.gz FBQTVFAFNSGGCK-AWEZNQCLSA-N 2 2 294.399 0.578 20 0 CCADLP CCCN(C(=O)CCn1cc[nH+]c1)[C@H]1CC[N@@H+](CCO)C1 ZINC001481403623 892617051 /nfs/dbraw/zinc/61/70/51/892617051.db2.gz FBQTVFAFNSGGCK-AWEZNQCLSA-N 2 2 294.399 0.578 20 0 CCADLP COCC[N@H+](C)C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001481494929 892743700 /nfs/dbraw/zinc/74/37/00/892743700.db2.gz CGVLQQBLACWNED-AWEZNQCLSA-N 2 2 294.399 0.700 20 0 CCADLP COCC[N@@H+](C)C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001481494929 892743712 /nfs/dbraw/zinc/74/37/12/892743712.db2.gz CGVLQQBLACWNED-AWEZNQCLSA-N 2 2 294.399 0.700 20 0 CCADLP COCCCCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001481710305 893064731 /nfs/dbraw/zinc/06/47/31/893064731.db2.gz YEMLCDSYBSYSDA-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP COCCCCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001481710305 893064753 /nfs/dbraw/zinc/06/47/53/893064753.db2.gz YEMLCDSYBSYSDA-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP CN(C(=O)C[NH+](C)C1CCC1)[C@H]1CC[N@H+](CCF)C1 ZINC001481725836 893090916 /nfs/dbraw/zinc/09/09/16/893090916.db2.gz IQCIDKXDRUOTSI-ZDUSSCGKSA-N 2 2 271.380 0.973 20 0 CCADLP CN(C(=O)C[NH+](C)C1CCC1)[C@H]1CC[N@@H+](CCF)C1 ZINC001481725836 893090934 /nfs/dbraw/zinc/09/09/34/893090934.db2.gz IQCIDKXDRUOTSI-ZDUSSCGKSA-N 2 2 271.380 0.973 20 0 CCADLP CN(C(=O)C[N@H+](C)C1CCC1)[C@H]1CC[NH+](CCF)C1 ZINC001481725836 893090953 /nfs/dbraw/zinc/09/09/53/893090953.db2.gz IQCIDKXDRUOTSI-ZDUSSCGKSA-N 2 2 271.380 0.973 20 0 CCADLP CN(C(=O)C[N@@H+](C)C1CCC1)[C@H]1CC[NH+](CCF)C1 ZINC001481725836 893090970 /nfs/dbraw/zinc/09/09/70/893090970.db2.gz IQCIDKXDRUOTSI-ZDUSSCGKSA-N 2 2 271.380 0.973 20 0 CCADLP CCN(CC[NH2+]Cc1cnon1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001497363051 893166363 /nfs/dbraw/zinc/16/63/63/893166363.db2.gz YGXNDKTWISJVHG-LBPRGKRZSA-N 2 2 281.360 0.102 20 0 CCADLP CCN(CC[NH2+]Cc1cnon1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001497363051 893166371 /nfs/dbraw/zinc/16/63/71/893166371.db2.gz YGXNDKTWISJVHG-LBPRGKRZSA-N 2 2 281.360 0.102 20 0 CCADLP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1csnn1 ZINC001481878952 893244377 /nfs/dbraw/zinc/24/43/77/893244377.db2.gz LRVUTXAHAIGGNA-NSHDSACASA-N 2 2 297.428 0.618 20 0 CCADLP COC[C@H](C)[NH2+]C[C@@](C)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001481953529 893286390 /nfs/dbraw/zinc/28/63/90/893286390.db2.gz YUWMAZUNGBBCEL-SWLSCSKDSA-N 2 2 294.399 0.793 20 0 CCADLP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C[NH2+]CCO ZINC001482113163 893405761 /nfs/dbraw/zinc/40/57/61/893405761.db2.gz IFWDKQHHFRAYAX-SNVBAGLBSA-N 2 2 276.340 0.511 20 0 CCADLP CCC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001284446866 893564784 /nfs/dbraw/zinc/56/47/84/893564784.db2.gz PZGCXVUPXCSNMY-QWHCGFSZSA-N 2 2 282.388 0.653 20 0 CCADLP CC(C)OCC[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001482372516 893926773 /nfs/dbraw/zinc/92/67/73/893926773.db2.gz DKYRKEGFUMUFCL-ZDUSSCGKSA-N 2 2 282.388 0.745 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001482433284 893978541 /nfs/dbraw/zinc/97/85/41/893978541.db2.gz JRZVKFIDXYMLBF-TZMCWYRMSA-N 2 2 294.399 0.436 20 0 CCADLP CN(CC[NH2+]Cc1nccs1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001493509518 894204937 /nfs/dbraw/zinc/20/49/37/894204937.db2.gz VFXMYRSRAOGMQW-LLVKDONJSA-N 2 2 298.412 0.022 20 0 CCADLP CN(CC[NH2+]Cc1nccs1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001493509518 894204951 /nfs/dbraw/zinc/20/49/51/894204951.db2.gz VFXMYRSRAOGMQW-LLVKDONJSA-N 2 2 298.412 0.022 20 0 CCADLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001482633854 894432536 /nfs/dbraw/zinc/43/25/36/894432536.db2.gz PFJNZKJZOMQRRC-CYBMUJFWSA-N 2 2 298.431 0.125 20 0 CCADLP CC(C)[NH+]1CCCC[C@@H]1C(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001482633854 894432539 /nfs/dbraw/zinc/43/25/39/894432539.db2.gz PFJNZKJZOMQRRC-CYBMUJFWSA-N 2 2 298.431 0.125 20 0 CCADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+](C)CC(N)=O ZINC001482633854 894432525 /nfs/dbraw/zinc/43/25/25/894432525.db2.gz PFJNZKJZOMQRRC-CYBMUJFWSA-N 2 2 298.431 0.125 20 0 CCADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+](C)CC(N)=O ZINC001482633854 894432530 /nfs/dbraw/zinc/43/25/30/894432530.db2.gz PFJNZKJZOMQRRC-CYBMUJFWSA-N 2 2 298.431 0.125 20 0 CCADLP C[C@H](CC[NH2+]C[C@H]1CCOC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001482872145 894661556 /nfs/dbraw/zinc/66/15/56/894661556.db2.gz DVHLZHUFTNYNND-VXGBXAGGSA-N 2 2 280.372 0.473 20 0 CCADLP CCN(CC[NH2+]C[C@H]1CCOC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001482959638 894732439 /nfs/dbraw/zinc/73/24/39/894732439.db2.gz FRBOYZCGAIWXKT-GFCCVEGCSA-N 2 2 280.372 0.427 20 0 CCADLP CO[C@@H](C)C[NH2+]C/C=C\CNC(=O)Cc1c[nH]c[nH+]1 ZINC001483064136 894869242 /nfs/dbraw/zinc/86/92/42/894869242.db2.gz HIBBGFAJIYOWDS-BYCRGOAPSA-N 2 2 266.345 0.249 20 0 CCADLP CC(C)[NH2+]C/C=C/CNC(=O)Cc1c[nH+]cn1C ZINC001483083420 894886096 /nfs/dbraw/zinc/88/60/96/894886096.db2.gz IYAXJBAJXXARGU-SNAWJCMRSA-N 2 2 250.346 0.633 20 0 CCADLP CO[C@@H](C)C[NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001326371297 913919586 /nfs/dbraw/zinc/91/95/86/913919586.db2.gz RPLMQDKUNCJJCS-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H](C[NH2+]CCF)NC(=O)CCc1c[nH+]cn1C ZINC001483190825 895077954 /nfs/dbraw/zinc/07/79/54/895077954.db2.gz SZEXLRFPQXSQIG-SNVBAGLBSA-N 2 2 256.325 0.417 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)Cc1cncn1C ZINC001409520070 895228023 /nfs/dbraw/zinc/22/80/23/895228023.db2.gz RJRAJIJQJISEMY-TZMCWYRMSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)Cc1cncn1C ZINC001409520070 895228042 /nfs/dbraw/zinc/22/80/42/895228042.db2.gz RJRAJIJQJISEMY-TZMCWYRMSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@H+](C)Cc1cncn1C ZINC001409520070 895228053 /nfs/dbraw/zinc/22/80/53/895228053.db2.gz RJRAJIJQJISEMY-TZMCWYRMSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@@H+](C)Cc1cncn1C ZINC001409520070 895228068 /nfs/dbraw/zinc/22/80/68/895228068.db2.gz RJRAJIJQJISEMY-TZMCWYRMSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)C[C@@H]1CCOC1 ZINC001409687444 895331863 /nfs/dbraw/zinc/33/18/63/895331863.db2.gz FFCYVBZEKCWBMG-OLZOCXBDSA-N 2 2 280.372 0.356 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)C[C@@H]1CCOC1 ZINC001409687444 895331879 /nfs/dbraw/zinc/33/18/79/895331879.db2.gz FFCYVBZEKCWBMG-OLZOCXBDSA-N 2 2 280.372 0.356 20 0 CCADLP C[C@@H](C[NH2+]CC1CCOCC1)NC(=O)Cn1cc[nH+]c1 ZINC001483299996 895418707 /nfs/dbraw/zinc/41/87/07/895418707.db2.gz MMNHBRQWGARHLP-LBPRGKRZSA-N 2 2 280.372 0.404 20 0 CCADLP CS(=O)(=O)CCCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC001326583834 914029975 /nfs/dbraw/zinc/02/99/75/914029975.db2.gz NJDYKKGGOZLFQA-QWHCGFSZSA-N 2 2 290.429 0.168 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]1C[NH2+]CCCF ZINC001483946501 896128106 /nfs/dbraw/zinc/12/81/06/896128106.db2.gz QOHONBZTRZYDRB-LBPRGKRZSA-N 2 2 268.336 0.892 20 0 CCADLP COCCC[N@@H+]1CC[C@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001484055529 896179387 /nfs/dbraw/zinc/17/93/87/896179387.db2.gz ZCDZJOHRHGPPAL-HNNXBMFYSA-N 2 2 294.399 0.890 20 0 CCADLP COCCC[N@H+]1CC[C@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001484055529 896179395 /nfs/dbraw/zinc/17/93/95/896179395.db2.gz ZCDZJOHRHGPPAL-HNNXBMFYSA-N 2 2 294.399 0.890 20 0 CCADLP CC(C)=CC[NH+]1CC(O)(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001484291383 896327458 /nfs/dbraw/zinc/32/74/58/896327458.db2.gz PUUDROYEXLFBPA-UHFFFAOYSA-N 2 2 295.427 0.457 20 0 CCADLP CCC[NH2+]CCN(CCO)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001484486345 896441521 /nfs/dbraw/zinc/44/15/21/896441521.db2.gz MUBSUELWJVZIOG-ZDUSSCGKSA-N 2 2 294.399 0.266 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2cnon2)CCC1 ZINC001484627687 896507337 /nfs/dbraw/zinc/50/73/37/896507337.db2.gz HQNZRDJVSXFXGA-LBPRGKRZSA-N 2 2 293.371 0.292 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2cnon2)CCC1 ZINC001484627687 896507350 /nfs/dbraw/zinc/50/73/50/896507350.db2.gz HQNZRDJVSXFXGA-LBPRGKRZSA-N 2 2 293.371 0.292 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CC[C@@H]([NH2+]CCO)C1 ZINC001397167779 914075658 /nfs/dbraw/zinc/07/56/58/914075658.db2.gz DZNVWZPBXAHMFM-FRRDWIJNSA-N 2 2 294.399 0.455 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CC[C@@H]([NH2+]CCO)C1 ZINC001397167779 914075679 /nfs/dbraw/zinc/07/56/79/914075679.db2.gz DZNVWZPBXAHMFM-FRRDWIJNSA-N 2 2 294.399 0.455 20 0 CCADLP C[C@H](C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)n1cc[nH+]c1 ZINC001326673794 914088780 /nfs/dbraw/zinc/08/87/80/914088780.db2.gz BGJOLBBWCUSFEB-HBNTYKKESA-N 2 2 252.318 0.019 20 0 CCADLP O=C(N[C@H]1C[C@H](C[NH2+]CCF)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001485687643 897184728 /nfs/dbraw/zinc/18/47/28/897184728.db2.gz KKOUMOIAXOJCNH-AVGNSLFASA-N 2 2 294.374 0.899 20 0 CCADLP C[C@@H](O)C[NH2+]CCC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001485745974 897219904 /nfs/dbraw/zinc/21/99/04/897219904.db2.gz XBDYWMVWEPTZEB-GHMZBOCLSA-N 2 2 268.361 0.208 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO ZINC001032379758 897374961 /nfs/dbraw/zinc/37/49/61/897374961.db2.gz FHJSLOQXBGAIRO-RYUDHWBXSA-N 2 2 278.356 0.010 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO ZINC001032379758 897374969 /nfs/dbraw/zinc/37/49/69/897374969.db2.gz FHJSLOQXBGAIRO-RYUDHWBXSA-N 2 2 278.356 0.010 20 0 CCADLP CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001032586596 897778354 /nfs/dbraw/zinc/77/83/54/897778354.db2.gz ALGCROHDVJPINH-MELADBBJSA-N 2 2 281.400 0.401 20 0 CCADLP CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001032586596 897778362 /nfs/dbraw/zinc/77/83/62/897778362.db2.gz ALGCROHDVJPINH-MELADBBJSA-N 2 2 281.400 0.401 20 0 CCADLP CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001032586596 897778369 /nfs/dbraw/zinc/77/83/69/897778369.db2.gz ALGCROHDVJPINH-MELADBBJSA-N 2 2 281.400 0.401 20 0 CCADLP CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001032586596 897778375 /nfs/dbraw/zinc/77/83/75/897778375.db2.gz ALGCROHDVJPINH-MELADBBJSA-N 2 2 281.400 0.401 20 0 CCADLP Cc1ncc(C[N@H+]2CC[C@H]2CN(C)C(=O)CC[NH+](C)C)o1 ZINC001397548511 914261524 /nfs/dbraw/zinc/26/15/24/914261524.db2.gz RTMWUFGCNZSZET-ZDUSSCGKSA-N 2 2 294.399 0.967 20 0 CCADLP Cc1ncc(C[N@@H+]2CC[C@H]2CN(C)C(=O)CC[NH+](C)C)o1 ZINC001397548511 914261544 /nfs/dbraw/zinc/26/15/44/914261544.db2.gz RTMWUFGCNZSZET-ZDUSSCGKSA-N 2 2 294.399 0.967 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+]CC2CC2)CCC1 ZINC001326903214 914262430 /nfs/dbraw/zinc/26/24/30/914262430.db2.gz MWPPUYRZYQREID-UHFFFAOYSA-N 2 2 262.357 0.991 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]CCCO)CCC1 ZINC001326913459 914265454 /nfs/dbraw/zinc/26/54/54/914265454.db2.gz MSXLQKXQDJIZJI-UHFFFAOYSA-N 2 2 280.372 0.272 20 0 CCADLP CC(C)=CC[NH2+][C@@H](CO)CNC(=O)CCc1c[nH+]cn1C ZINC001486056535 898644774 /nfs/dbraw/zinc/64/47/74/898644774.db2.gz AYWXIICSFUBMPQ-CYBMUJFWSA-N 2 2 294.399 0.386 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@@H]1C ZINC001486091229 898650192 /nfs/dbraw/zinc/65/01/92/898650192.db2.gz GSXKHDKSEHRVKE-OCCSQVGLSA-N 2 2 294.399 0.578 20 0 CCADLP CN(C[C@@H]1CC[N@@H+]1CCO)C(=O)CCCn1cc[nH+]c1 ZINC001397570013 914281425 /nfs/dbraw/zinc/28/14/25/914281425.db2.gz GWVBGBPOSAPWOY-ZDUSSCGKSA-N 2 2 280.372 0.188 20 0 CCADLP CN(C[C@@H]1CC[N@H+]1CCO)C(=O)CCCn1cc[nH+]c1 ZINC001397570013 914281441 /nfs/dbraw/zinc/28/14/41/914281441.db2.gz GWVBGBPOSAPWOY-ZDUSSCGKSA-N 2 2 280.372 0.188 20 0 CCADLP CN(C[C@@H](O)C[N@H+](C)CCC1CC1)C(=O)Cn1cc[nH+]c1 ZINC001486359957 898817895 /nfs/dbraw/zinc/81/78/95/898817895.db2.gz HIVSZKCYZQMMQP-AWEZNQCLSA-N 2 2 294.399 0.434 20 0 CCADLP CN(C[C@@H](O)C[N@@H+](C)CCC1CC1)C(=O)Cn1cc[nH+]c1 ZINC001486359957 898817911 /nfs/dbraw/zinc/81/79/11/898817911.db2.gz HIVSZKCYZQMMQP-AWEZNQCLSA-N 2 2 294.399 0.434 20 0 CCADLP COCC[NH2+]C1CC(N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001486481464 898898153 /nfs/dbraw/zinc/89/81/53/898898153.db2.gz OXXUZSIVRDOGLP-UHFFFAOYSA-N 2 2 280.372 0.486 20 0 CCADLP CC(C)[NH2+]CCOCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001486494725 898902564 /nfs/dbraw/zinc/90/25/64/898902564.db2.gz VTYKMPIXXLUCIZ-CHWSQXEVSA-N 2 2 294.399 0.986 20 0 CCADLP CC(C)[NH2+]CCOCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001486494725 898902573 /nfs/dbraw/zinc/90/25/73/898902573.db2.gz VTYKMPIXXLUCIZ-CHWSQXEVSA-N 2 2 294.399 0.986 20 0 CCADLP CO[C@H](C)C[N@H+](C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001399580454 915249051 /nfs/dbraw/zinc/24/90/51/915249051.db2.gz NOAMEBZXLGJGNR-QWHCGFSZSA-N 2 2 282.388 0.917 20 0 CCADLP CO[C@H](C)C[N@@H+](C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001399580454 915249070 /nfs/dbraw/zinc/24/90/70/915249070.db2.gz NOAMEBZXLGJGNR-QWHCGFSZSA-N 2 2 282.388 0.917 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001488683383 900343462 /nfs/dbraw/zinc/34/34/62/900343462.db2.gz FUEWQHSTMFHLTF-NEPJUHHUSA-N 2 2 294.399 0.601 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001488683383 900343474 /nfs/dbraw/zinc/34/34/74/900343474.db2.gz FUEWQHSTMFHLTF-NEPJUHHUSA-N 2 2 294.399 0.601 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCCC[N@H+](C)CCCO)c[nH+]1 ZINC001490213810 900554031 /nfs/dbraw/zinc/55/40/31/900554031.db2.gz NKDVLJDFMUGPFU-UHFFFAOYSA-N 2 2 296.415 0.747 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCCC[N@@H+](C)CCCO)c[nH+]1 ZINC001490213810 900554037 /nfs/dbraw/zinc/55/40/37/900554037.db2.gz NKDVLJDFMUGPFU-UHFFFAOYSA-N 2 2 296.415 0.747 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[C@H]1C[NH2+]CCF ZINC001320190091 900916417 /nfs/dbraw/zinc/91/64/17/900916417.db2.gz UCQCMPUUBBAKHC-RYUDHWBXSA-N 2 2 268.336 0.727 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[NH2+]C[C@@H](C)O ZINC001322806462 901015138 /nfs/dbraw/zinc/01/51/38/901015138.db2.gz MSXXMPSYVNUYLJ-SNVBAGLBSA-N 2 2 268.361 0.080 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC001411857824 901293420 /nfs/dbraw/zinc/29/34/20/901293420.db2.gz OBGCLCGUWVIDTK-AWEZNQCLSA-N 2 2 292.383 0.515 20 0 CCADLP CC(C)(O)[C@H](O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001459711885 902489504 /nfs/dbraw/zinc/48/95/04/902489504.db2.gz YENCZCZPGBCQGE-WDEREUQCSA-N 2 2 253.346 0.721 20 0 CCADLP CC(C)(O)[C@H](O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001459711885 902489512 /nfs/dbraw/zinc/48/95/12/902489512.db2.gz YENCZCZPGBCQGE-WDEREUQCSA-N 2 2 253.346 0.721 20 0 CCADLP Cc1conc1CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC001413651074 903143316 /nfs/dbraw/zinc/14/33/16/903143316.db2.gz JDSGVKSXYJFIPS-UHFFFAOYSA-N 2 2 297.403 0.666 20 0 CCADLP Cc1conc1CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC001413651074 903143322 /nfs/dbraw/zinc/14/33/22/903143322.db2.gz JDSGVKSXYJFIPS-UHFFFAOYSA-N 2 2 297.403 0.666 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H](C[NH2+]CCCO)C1 ZINC001491180066 903431605 /nfs/dbraw/zinc/43/16/05/903431605.db2.gz OREBUFTUODCNLO-ZDUSSCGKSA-N 2 2 294.399 0.173 20 0 CCADLP COCCC[NH2+][C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001281427619 904282809 /nfs/dbraw/zinc/28/28/09/904282809.db2.gz DBAPJUCFGVIZKT-KBPBESRZSA-N 2 2 294.399 0.746 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@H+](C)C[C@H]1CC[C@@H](C)O1 ZINC001377249557 904720706 /nfs/dbraw/zinc/72/07/06/904720706.db2.gz SOPRMXPARRBISQ-DGCLKSJQSA-N 2 2 294.399 0.876 20 0 CCADLP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1cnsn1 ZINC001377284828 904750928 /nfs/dbraw/zinc/75/09/28/904750928.db2.gz YNGVJHWOIUTOGM-CMPLNLGQSA-N 2 2 297.428 0.426 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@@H+]1CCO ZINC001377376650 904817663 /nfs/dbraw/zinc/81/76/63/904817663.db2.gz FQGYBZYFXQFYFI-KGLIPLIRSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@H+]1CCO ZINC001377376650 904817671 /nfs/dbraw/zinc/81/76/71/904817671.db2.gz FQGYBZYFXQFYFI-KGLIPLIRSA-N 2 2 294.399 0.625 20 0 CCADLP CC[C@H](C[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1)OC ZINC001377474109 904915367 /nfs/dbraw/zinc/91/53/67/904915367.db2.gz GKRGNQPOVZLWAO-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP CC[C@H](C[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1)OC ZINC001377474109 904915376 /nfs/dbraw/zinc/91/53/76/904915376.db2.gz GKRGNQPOVZLWAO-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP COCC[NH2+][C@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001283690713 904961396 /nfs/dbraw/zinc/96/13/96/904961396.db2.gz JBEDTHLSGFVZEZ-SNVBAGLBSA-N 2 2 254.334 0.035 20 0 CCADLP CCOCC[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001327923645 914862666 /nfs/dbraw/zinc/86/26/66/914862666.db2.gz IHIPJRORRZZUGY-NEPJUHHUSA-N 2 2 280.372 0.425 20 0 CCADLP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)c1ncccn1 ZINC001377584267 905015186 /nfs/dbraw/zinc/01/51/86/905015186.db2.gz CLVRAYCJWHLXDM-OLZOCXBDSA-N 2 2 291.399 0.680 20 0 CCADLP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C)c1ncccn1 ZINC001377584267 905015207 /nfs/dbraw/zinc/01/52/07/905015207.db2.gz CLVRAYCJWHLXDM-OLZOCXBDSA-N 2 2 291.399 0.680 20 0 CCADLP CC[C@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]CCF ZINC001378274387 905555168 /nfs/dbraw/zinc/55/51/68/905555168.db2.gz NBSXQNHCYMTFTC-LLVKDONJSA-N 2 2 270.352 0.807 20 0 CCADLP CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cnsn1 ZINC001378305155 905578909 /nfs/dbraw/zinc/57/89/09/905578909.db2.gz SWGSOCRMOGIXLO-CMPLNLGQSA-N 2 2 297.428 0.617 20 0 CCADLP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1cnon1 ZINC001378307765 905583541 /nfs/dbraw/zinc/58/35/41/905583541.db2.gz XDTOJWDCIAOIBE-AAEUAGOBSA-N 2 2 295.387 0.538 20 0 CCADLP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1cnon1 ZINC001378307765 905583557 /nfs/dbraw/zinc/58/35/57/905583557.db2.gz XDTOJWDCIAOIBE-AAEUAGOBSA-N 2 2 295.387 0.538 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NC[C@@H](C)C[NH2+]C[C@@H](C)O ZINC001378579569 905695714 /nfs/dbraw/zinc/69/57/14/905695714.db2.gz MLWGYRKAXNVEOO-NWDGAFQWSA-N 2 2 295.383 0.355 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001378621987 905715921 /nfs/dbraw/zinc/71/59/21/905715921.db2.gz HZFWIGHPUKEQDH-GHMZBOCLSA-N 2 2 282.388 0.637 20 0 CCADLP C[C@H](C[NH2+]CC(N)=O)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001378780861 905812610 /nfs/dbraw/zinc/81/26/10/905812610.db2.gz BPVMVTYADDNBLH-SECBINFHSA-N 2 2 289.339 0.098 20 0 CCADLP [NH3+]CCOCC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001337086794 921181281 /nfs/dbraw/zinc/18/12/81/921181281.db2.gz JQBLVFCZRBUIIU-AWEZNQCLSA-N 2 2 288.351 0.716 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@H](C)N(C)C(=O)CCn1cc[nH+]c1 ZINC001378808955 905827783 /nfs/dbraw/zinc/82/77/83/905827783.db2.gz XINOXRLHLIXOPL-QWHCGFSZSA-N 2 2 282.388 0.745 20 0 CCADLP Cc1ncc(C[NH2+]C[C@@H](C)N(C)C(=O)Cn2cc[nH+]c2)o1 ZINC001378864200 905863840 /nfs/dbraw/zinc/86/38/40/905863840.db2.gz GZCUALBQOVYKDE-LLVKDONJSA-N 2 2 291.355 0.816 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001379008819 905925659 /nfs/dbraw/zinc/92/56/59/905925659.db2.gz LBKIMQFNCJQSHL-NEPJUHHUSA-N 2 2 282.388 0.718 20 0 CCADLP C[C@H](O)CCC[N@H+](C)CCN(C)C(=O)Cc1c[nH+]cn1C ZINC001379125125 906009223 /nfs/dbraw/zinc/00/92/23/906009223.db2.gz JFZNMKLSMKZHLM-ZDUSSCGKSA-N 2 2 296.415 0.514 20 0 CCADLP C[C@H](O)CCC[N@@H+](C)CCN(C)C(=O)Cc1c[nH+]cn1C ZINC001379125125 906009235 /nfs/dbraw/zinc/00/92/35/906009235.db2.gz JFZNMKLSMKZHLM-ZDUSSCGKSA-N 2 2 296.415 0.514 20 0 CCADLP CC1CC(C[NH2+]C[C@H](O)CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001379209584 906065339 /nfs/dbraw/zinc/06/53/39/906065339.db2.gz WXLGVMNXIYRKLR-YIZWMMSDSA-N 2 2 294.399 0.455 20 0 CCADLP CC1CC(C[NH2+]C[C@H](O)CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001379209584 906065359 /nfs/dbraw/zinc/06/53/59/906065359.db2.gz WXLGVMNXIYRKLR-YIZWMMSDSA-N 2 2 294.399 0.455 20 0 CCADLP CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1nc(C)no1)[NH+](C)C ZINC001379414893 906217944 /nfs/dbraw/zinc/21/79/44/906217944.db2.gz HNCLTLCHFWIHKP-KOLCDFICSA-N 2 2 283.376 0.313 20 0 CCADLP C[C@H](C[NH2+]C[C@H]1CC(C)(C)CO1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001379453696 906251574 /nfs/dbraw/zinc/25/15/74/906251574.db2.gz PBMKPCZMBIEMEB-VXGBXAGGSA-N 2 2 294.399 0.862 20 0 CCADLP Cc1nonc1C[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001379467648 906259641 /nfs/dbraw/zinc/25/96/41/906259641.db2.gz IQOGPBGLCCPTPR-SNVBAGLBSA-N 2 2 281.360 0.068 20 0 CCADLP C[NH+](C)CCC[C@H]1CN(c2cc(N)nc[nH+]2)CCO1 ZINC001337220390 921219775 /nfs/dbraw/zinc/21/97/75/921219775.db2.gz LAWVOHMRQOGBAR-NSHDSACASA-N 2 2 265.361 0.606 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C)n1 ZINC001379465583 906264391 /nfs/dbraw/zinc/26/43/91/906264391.db2.gz KCCGMBZRVLUPOA-GHMZBOCLSA-N 2 2 297.403 0.874 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)n1 ZINC001379465583 906264408 /nfs/dbraw/zinc/26/44/08/906264408.db2.gz KCCGMBZRVLUPOA-GHMZBOCLSA-N 2 2 297.403 0.874 20 0 CCADLP COC[C@H](C)[NH2+]C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001379594426 906369518 /nfs/dbraw/zinc/36/95/18/906369518.db2.gz HZXKIFCWIZOTDD-RYUDHWBXSA-N 2 2 282.388 0.482 20 0 CCADLP C[C@H](C[N@H+](C)CCCO)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001379700970 906440058 /nfs/dbraw/zinc/44/00/58/906440058.db2.gz UOCRAMADRLPGDY-CHWSQXEVSA-N 2 2 294.399 0.264 20 0 CCADLP C[C@H](C[N@@H+](C)CCCO)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001379700970 906440062 /nfs/dbraw/zinc/44/00/62/906440062.db2.gz UOCRAMADRLPGDY-CHWSQXEVSA-N 2 2 294.399 0.264 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC001293568955 906495294 /nfs/dbraw/zinc/49/52/94/906495294.db2.gz SCQNMSLAOZZDBH-LLVKDONJSA-N 2 2 250.346 0.854 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@]1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001380422783 906765321 /nfs/dbraw/zinc/76/53/21/906765321.db2.gz KLFBZRPUPBOAFI-RISCZKNCSA-N 2 2 280.372 0.161 20 0 CCADLP CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001380547294 906812864 /nfs/dbraw/zinc/81/28/64/906812864.db2.gz NQCJIZPUROZSPB-SWLSCSKDSA-N 2 2 292.383 0.018 20 0 CCADLP CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001380547294 906812869 /nfs/dbraw/zinc/81/28/69/906812869.db2.gz NQCJIZPUROZSPB-SWLSCSKDSA-N 2 2 292.383 0.018 20 0 CCADLP CC[C@H](C)C[N@@H+]1CCOC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001380831994 906955916 /nfs/dbraw/zinc/95/59/16/906955916.db2.gz MTKFLWOFLOQGCA-KBPBESRZSA-N 2 2 294.399 0.746 20 0 CCADLP CC[C@H](C)C[N@H+]1CCOC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001380831994 906955929 /nfs/dbraw/zinc/95/59/29/906955929.db2.gz MTKFLWOFLOQGCA-KBPBESRZSA-N 2 2 294.399 0.746 20 0 CCADLP CO[C@H](C)C[NH2+]C1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001381124754 907080486 /nfs/dbraw/zinc/08/04/86/907080486.db2.gz ARSJOFHLWQGUTA-GFCCVEGCSA-N 2 2 294.399 0.958 20 0 CCADLP Cn1cnc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC001337806059 921294901 /nfs/dbraw/zinc/29/49/01/921294901.db2.gz PFWZDZXZZSENTJ-BFHYXJOUSA-N 2 2 264.373 0.667 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC001381445843 907209026 /nfs/dbraw/zinc/20/90/26/907209026.db2.gz UOAODKOTSCYJPL-WDEREUQCSA-N 2 2 296.419 0.438 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC001381445843 907209038 /nfs/dbraw/zinc/20/90/38/907209038.db2.gz UOAODKOTSCYJPL-WDEREUQCSA-N 2 2 296.419 0.438 20 0 CCADLP CCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001381687391 907370970 /nfs/dbraw/zinc/37/09/70/907370970.db2.gz ZHYDPRGHCPESKJ-ZDUSSCGKSA-N 2 2 283.416 0.434 20 0 CCADLP CCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001381687391 907370991 /nfs/dbraw/zinc/37/09/91/907370991.db2.gz ZHYDPRGHCPESKJ-ZDUSSCGKSA-N 2 2 283.416 0.434 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CC1CC1 ZINC001491638237 907473575 /nfs/dbraw/zinc/47/35/75/907473575.db2.gz NCOVDEYTLOJHJS-SNVBAGLBSA-N 2 2 250.346 0.467 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C)o1 ZINC001382121071 907556696 /nfs/dbraw/zinc/55/66/96/907556696.db2.gz XUTSULQTFFZNAT-SNVBAGLBSA-N 2 2 283.376 0.266 20 0 CCADLP C[C@@H]1[C@@H]([NH2+]Cc2cnsn2)CCN1C(=O)CC[NH+](C)C ZINC001382284092 907660035 /nfs/dbraw/zinc/66/00/35/907660035.db2.gz IOIYFQJLWJYQRP-PWSUYJOCSA-N 2 2 297.428 0.569 20 0 CCADLP COCC[NH2+][C@H](C)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001492115325 907708056 /nfs/dbraw/zinc/70/80/56/907708056.db2.gz RNAPALMRSZFFAH-SNVBAGLBSA-N 2 2 268.361 0.391 20 0 CCADLP CN(C[C@H](O)C[NH2+]CC1CC1)C(=O)CCc1c[nH+]cn1C ZINC001382443868 907743236 /nfs/dbraw/zinc/74/32/36/907743236.db2.gz ZVIPQGZRFWRROV-CQSZACIVSA-N 2 2 294.399 0.172 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCC[N@H+](C)CCCO)c[nH+]1 ZINC001492299569 907862415 /nfs/dbraw/zinc/86/24/15/907862415.db2.gz XSWCEEHSERBLCC-UHFFFAOYSA-N 2 2 282.388 0.357 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCC[N@@H+](C)CCCO)c[nH+]1 ZINC001492299569 907862428 /nfs/dbraw/zinc/86/24/28/907862428.db2.gz XSWCEEHSERBLCC-UHFFFAOYSA-N 2 2 282.388 0.357 20 0 CCADLP C[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)CC1CCOCC1 ZINC001316852602 908247532 /nfs/dbraw/zinc/24/75/32/908247532.db2.gz KRHSYWBTEKGWSD-UHFFFAOYSA-N 2 2 294.399 0.817 20 0 CCADLP C[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)CC1CCOCC1 ZINC001316852602 908247543 /nfs/dbraw/zinc/24/75/43/908247543.db2.gz KRHSYWBTEKGWSD-UHFFFAOYSA-N 2 2 294.399 0.817 20 0 CCADLP COCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001316881888 908676442 /nfs/dbraw/zinc/67/64/42/908676442.db2.gz WRHJGUXZNIZECR-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP CC[NH2+][C@@H](CNC(=O)CCc1[nH+]ccn1C)C1CC1 ZINC001317021640 908924328 /nfs/dbraw/zinc/92/43/28/908924328.db2.gz FQKUCRNLIIFYFD-LBPRGKRZSA-N 2 2 264.373 0.857 20 0 CCADLP CC(C)OCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317123883 908996552 /nfs/dbraw/zinc/99/65/52/908996552.db2.gz XYFXCKOMOAHXDL-TXEJJXNPSA-N 2 2 280.372 0.614 20 0 CCADLP COCC[NH2+]C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001317155527 909019899 /nfs/dbraw/zinc/01/98/99/909019899.db2.gz UGNLNMGCLVBJHV-AWEZNQCLSA-N 2 2 294.399 0.748 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CCc2c[nH+]cn2C1)C[NH+]1CCCC1 ZINC001338422651 921463164 /nfs/dbraw/zinc/46/31/64/921463164.db2.gz JKJHHFKEZAKYGH-TZMCWYRMSA-N 3 2 264.373 0.244 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCCO)C1 ZINC001317362636 909156523 /nfs/dbraw/zinc/15/65/23/909156523.db2.gz GLVJLYWRQJXHBZ-CHWSQXEVSA-N 2 2 294.399 0.660 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[NH2+]C[C@@H]1CCOC1 ZINC001317644119 909437646 /nfs/dbraw/zinc/43/76/46/909437646.db2.gz SWXLGUXKDNKPGT-OLZOCXBDSA-N 2 2 294.399 0.673 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[NH2+]C[C@@H]1CCOC1 ZINC001317644119 909437661 /nfs/dbraw/zinc/43/76/61/909437661.db2.gz SWXLGUXKDNKPGT-OLZOCXBDSA-N 2 2 294.399 0.673 20 0 CCADLP CC(C)[NH2+]CCN(C)C(=O)CCc1c[nH+]cn1C ZINC001317654556 909447902 /nfs/dbraw/zinc/44/79/02/909447902.db2.gz NQENZLKBGKZEOZ-UHFFFAOYSA-N 2 2 252.362 0.809 20 0 CCADLP CN(CC[NH2+]CC1CCOCC1)C(=O)Cn1cc[nH+]c1 ZINC001317666835 909460906 /nfs/dbraw/zinc/46/09/06/909460906.db2.gz JMYDFHBAEOYGTP-UHFFFAOYSA-N 2 2 280.372 0.358 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCc1[nH+]ccn1C ZINC001388641787 909524449 /nfs/dbraw/zinc/52/44/49/909524449.db2.gz SIWMOSDGEQUXBK-OLZOCXBDSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)CCc1[nH+]ccn1C ZINC001388641787 909524458 /nfs/dbraw/zinc/52/44/58/909524458.db2.gz SIWMOSDGEQUXBK-OLZOCXBDSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@H](CC(=O)N(C)C[C@@H]1CC[N@@H+]1CCO)n1cc[nH+]c1 ZINC001388654111 909534445 /nfs/dbraw/zinc/53/44/45/909534445.db2.gz XWZMKMOSGZNYDR-OLZOCXBDSA-N 2 2 280.372 0.359 20 0 CCADLP C[C@H](CC(=O)N(C)C[C@@H]1CC[N@H+]1CCO)n1cc[nH+]c1 ZINC001388654111 909534458 /nfs/dbraw/zinc/53/44/58/909534458.db2.gz XWZMKMOSGZNYDR-OLZOCXBDSA-N 2 2 280.372 0.359 20 0 CCADLP C[C@@H](C(=O)NC[C@H](C1CC1)[NH+](C)C)n1cc[nH+]c1 ZINC001317997937 909564553 /nfs/dbraw/zinc/56/45/53/909564553.db2.gz BYZNWEWNCVMCTK-CMPLNLGQSA-N 2 2 250.346 0.901 20 0 CCADLP CC[C@@H](C(=O)NC1C[NH+](CCOCC(C)C)C1)[NH+](C)C ZINC001318063358 909604546 /nfs/dbraw/zinc/60/45/46/909604546.db2.gz PADJUSSZAOBZMP-AWEZNQCLSA-N 2 2 285.432 0.800 20 0 CCADLP CC(C)(C[NH2+]C[C@H](O)C1(O)CCC1)n1cc[nH+]c1 ZINC001338567567 921513031 /nfs/dbraw/zinc/51/30/31/921513031.db2.gz OLNRYINRQICCPV-NSHDSACASA-N 2 2 253.346 0.484 20 0 CCADLP C[C@H](NC(=O)c1ccc(C[NH+](C)C)o1)[C@@H]1C[N@H+](C)CCO1 ZINC001417669480 921514649 /nfs/dbraw/zinc/51/46/49/921514649.db2.gz ZGBCNNPELOOQCE-FZMZJTMJSA-N 2 2 295.383 0.790 20 0 CCADLP C[C@H](NC(=O)c1ccc(C[NH+](C)C)o1)[C@@H]1C[N@@H+](C)CCO1 ZINC001417669480 921514661 /nfs/dbraw/zinc/51/46/61/921514661.db2.gz ZGBCNNPELOOQCE-FZMZJTMJSA-N 2 2 295.383 0.790 20 0 CCADLP CC(C)OCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001389449006 909901170 /nfs/dbraw/zinc/90/11/70/909901170.db2.gz HEJFQGHKZULIJE-CQSZACIVSA-N 2 2 294.399 0.958 20 0 CCADLP CC(C)OCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001389449006 909901176 /nfs/dbraw/zinc/90/11/76/909901176.db2.gz HEJFQGHKZULIJE-CQSZACIVSA-N 2 2 294.399 0.958 20 0 CCADLP COC[C@H](C)[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001389691293 910030321 /nfs/dbraw/zinc/03/03/21/910030321.db2.gz MRKHVOCEGJFFRP-WCQYABFASA-N 2 2 280.372 0.402 20 0 CCADLP C[C@@H](O)CCC[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC001319559335 910204161 /nfs/dbraw/zinc/20/41/61/910204161.db2.gz DQJHNMIZPNJEHM-QWHCGFSZSA-N 2 2 296.415 0.560 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001390152746 910247238 /nfs/dbraw/zinc/24/72/38/910247238.db2.gz PTBQSYVYLDUVIT-GXTWGEPZSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H](C(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C)n1cc[nH+]c1 ZINC001319946672 910365606 /nfs/dbraw/zinc/36/56/06/910365606.db2.gz CLMUTAZFSPPCQX-IJLUTSLNSA-N 2 2 250.346 0.995 20 0 CCADLP C[C@H](C(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C)n1cc[nH+]c1 ZINC001319946672 910365624 /nfs/dbraw/zinc/36/56/24/910365624.db2.gz CLMUTAZFSPPCQX-IJLUTSLNSA-N 2 2 250.346 0.995 20 0 CCADLP Cc1ncccc1C[NH2+][C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001390484291 910455596 /nfs/dbraw/zinc/45/55/96/910455596.db2.gz OEGBFIVUTOWCSJ-NSHDSACASA-N 2 2 287.367 0.950 20 0 CCADLP CC[C@@H](C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)OC ZINC001390563703 910522717 /nfs/dbraw/zinc/52/27/17/910522717.db2.gz LENQKSKYZGXNRB-AAEUAGOBSA-N 2 2 280.372 0.568 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)CC[NH2+]CCCO)c[nH+]1 ZINC001320465555 910684238 /nfs/dbraw/zinc/68/42/38/910684238.db2.gz ZCUMBQPEUINWIW-LBPRGKRZSA-N 2 2 296.415 0.793 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2cnon2)C1)[NH+](C)C ZINC001391115700 910888726 /nfs/dbraw/zinc/88/87/26/910888726.db2.gz VWVOFFGBPBOYSB-AAEUAGOBSA-N 2 2 295.387 0.348 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2cnon2)C1)[NH+](C)C ZINC001391115700 910888736 /nfs/dbraw/zinc/88/87/36/910888736.db2.gz VWVOFFGBPBOYSB-AAEUAGOBSA-N 2 2 295.387 0.348 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001417803061 921621366 /nfs/dbraw/zinc/62/13/66/921621366.db2.gz QLWXLCRVNXILAE-MGPQQGTHSA-N 2 2 294.399 0.529 20 0 CCADLP COC[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001391210345 910975171 /nfs/dbraw/zinc/97/51/71/910975171.db2.gz PNLCBVDWMQULPC-QWHCGFSZSA-N 2 2 294.399 0.528 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C[N@H+](C)CCO)C1 ZINC001391356002 911067220 /nfs/dbraw/zinc/06/72/20/911067220.db2.gz SEQRXZXPDGFONG-GFCCVEGCSA-N 2 2 280.372 0.033 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C[N@@H+](C)CCO)C1 ZINC001391356002 911067241 /nfs/dbraw/zinc/06/72/41/911067241.db2.gz SEQRXZXPDGFONG-GFCCVEGCSA-N 2 2 280.372 0.033 20 0 CCADLP CC[C@H](C(=O)NC1C[NH+](CCOC2CCC2)C1)[NH+](C)C ZINC001391420548 911118111 /nfs/dbraw/zinc/11/81/11/911118111.db2.gz MVISXKVSTHROCR-CQSZACIVSA-N 2 2 283.416 0.696 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]C/C=C\CNC(=O)CC[NH+](C)C)o1 ZINC001321220190 911171227 /nfs/dbraw/zinc/17/12/27/911171227.db2.gz AJBQXDJMSLUTBM-ISALQUGTSA-N 2 2 295.387 0.653 20 0 CCADLP Cc1cnc(C[NH+]2CC(CNC(=O)CC[NH+](C)C)C2)cn1 ZINC001391497834 911179764 /nfs/dbraw/zinc/17/97/64/911179764.db2.gz UISCJXSXFQVIQX-UHFFFAOYSA-N 2 2 291.399 0.285 20 0 CCADLP C[C@H](O)CCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001391563841 911230437 /nfs/dbraw/zinc/23/04/37/911230437.db2.gz XYHNCAZWLRUFRW-STQMWFEESA-N 2 2 294.399 0.314 20 0 CCADLP C[C@H](O)CCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001391563841 911230451 /nfs/dbraw/zinc/23/04/51/911230451.db2.gz XYHNCAZWLRUFRW-STQMWFEESA-N 2 2 294.399 0.314 20 0 CCADLP CC(C)[NH2+]C[C@@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001321560728 911374684 /nfs/dbraw/zinc/37/46/84/911374684.db2.gz VKFQSLQJKBCSOT-NEPJUHHUSA-N 2 2 264.373 0.948 20 0 CCADLP CO[C@@H](C)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCCC1 ZINC001392025006 911524199 /nfs/dbraw/zinc/52/41/99/911524199.db2.gz YKBXWLNOXZQXJZ-ZDUSSCGKSA-N 2 2 294.399 0.937 20 0 CCADLP COC[C@H](C)[NH2+][C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001392244075 911655876 /nfs/dbraw/zinc/65/58/76/911655876.db2.gz QVVBMLCLKKOGAC-RYUDHWBXSA-N 2 2 282.388 0.718 20 0 CCADLP C[C@@H](O)C[NH+]1CCC(N(C)C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001417896149 921690575 /nfs/dbraw/zinc/69/05/75/921690575.db2.gz OZXYFWYSTOAJPA-GFCCVEGCSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@@H](O)C[NH+]1CCC(N(C)C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001417896149 921690578 /nfs/dbraw/zinc/69/05/78/921690578.db2.gz OZXYFWYSTOAJPA-GFCCVEGCSA-N 2 2 294.399 0.646 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N(C)CCC[NH2+]C[C@@H](C)O ZINC001322565724 911861607 /nfs/dbraw/zinc/86/16/07/911861607.db2.gz HDURBRVVGRAJLZ-GFCCVEGCSA-N 2 2 295.383 0.452 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C)o1 ZINC001392503240 911871410 /nfs/dbraw/zinc/87/14/10/911871410.db2.gz CEPGBJZDZNVGNE-NXEZZACHSA-N 2 2 283.376 0.485 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001392848090 912196666 /nfs/dbraw/zinc/19/66/66/912196666.db2.gz OQINMGVIHOAPSU-CHWSQXEVSA-N 2 2 294.399 0.578 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001392848090 912196679 /nfs/dbraw/zinc/19/66/79/912196679.db2.gz OQINMGVIHOAPSU-CHWSQXEVSA-N 2 2 294.399 0.578 20 0 CCADLP CC[C@]1(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC[NH2+]C1 ZINC001328593731 915296653 /nfs/dbraw/zinc/29/66/53/915296653.db2.gz NMDBZQAHNKSVNY-JSGCOSHPSA-N 2 2 269.389 0.213 20 0 CCADLP CC[C@]1(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC[NH2+]C1 ZINC001328593731 915296667 /nfs/dbraw/zinc/29/66/67/915296667.db2.gz NMDBZQAHNKSVNY-JSGCOSHPSA-N 2 2 269.389 0.213 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)[nH]1 ZINC001400067259 915541749 /nfs/dbraw/zinc/54/17/49/915541749.db2.gz IOTSMRCXLPMKBI-PWSUYJOCSA-N 2 2 294.403 0.316 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]2CCC[N@H+]2C)[nH]1 ZINC001400067259 915541757 /nfs/dbraw/zinc/54/17/57/915541757.db2.gz IOTSMRCXLPMKBI-PWSUYJOCSA-N 2 2 294.403 0.316 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001400197667 915617570 /nfs/dbraw/zinc/61/75/70/915617570.db2.gz TYEJFYYIOXBQRA-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001400197667 915617584 /nfs/dbraw/zinc/61/75/84/915617584.db2.gz TYEJFYYIOXBQRA-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)[C@@H](C)C[N@@H+]1CCO ZINC001418072096 921809518 /nfs/dbraw/zinc/80/95/18/921809518.db2.gz KYOSFJNOGHXRRU-NEPJUHHUSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)[C@@H](C)C[N@H+]1CCO ZINC001418072096 921809528 /nfs/dbraw/zinc/80/95/28/921809528.db2.gz KYOSFJNOGHXRRU-NEPJUHHUSA-N 2 2 280.372 0.256 20 0 CCADLP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1csnn1 ZINC001400831625 915948862 /nfs/dbraw/zinc/94/88/62/915948862.db2.gz NTQUGAHKGQEURH-CMPLNLGQSA-N 2 2 297.428 0.617 20 0 CCADLP CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1csnn1 ZINC001400831625 915948870 /nfs/dbraw/zinc/94/88/70/915948870.db2.gz NTQUGAHKGQEURH-CMPLNLGQSA-N 2 2 297.428 0.617 20 0 CCADLP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cncn1C ZINC001400870997 915971805 /nfs/dbraw/zinc/97/18/05/915971805.db2.gz WXZWPLPYRVSXOS-NSHDSACASA-N 2 2 290.371 0.370 20 0 CCADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cnn(C)c1 ZINC001400928003 915988291 /nfs/dbraw/zinc/98/82/91/915988291.db2.gz RQACLBNNWSWWIP-CYBMUJFWSA-N 2 2 290.371 0.301 20 0 CCADLP C[C@H](C(=O)N[C@H]1CC[NH2+]CC1(C)C)n1cc[nH+]c1 ZINC001329568679 916016894 /nfs/dbraw/zinc/01/68/94/916016894.db2.gz KWNBMGDTYFGLON-MNOVXSKESA-N 2 2 250.346 0.948 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCCC[C@@H]2[NH3+])CCO1 ZINC001329569222 916023133 /nfs/dbraw/zinc/02/31/33/916023133.db2.gz NDQOSUVDTXSRRN-UPJWGTAASA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCCC[C@@H]2[NH3+])CCO1 ZINC001329569222 916023152 /nfs/dbraw/zinc/02/31/52/916023152.db2.gz NDQOSUVDTXSRRN-UPJWGTAASA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H](C)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001401229219 916132183 /nfs/dbraw/zinc/13/21/83/916132183.db2.gz SCMNACPJTXTTFZ-WDEREUQCSA-N 2 2 290.367 0.994 20 0 CCADLP CCc1nnc(C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C)o1 ZINC001401244515 916142994 /nfs/dbraw/zinc/14/29/94/916142994.db2.gz XUKFFASWIUVCGJ-NSHDSACASA-N 2 2 297.403 0.520 20 0 CCADLP C[C@H](C[NH2+]Cc1ncccn1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001401622396 916398096 /nfs/dbraw/zinc/39/80/96/916398096.db2.gz VXVCFOORWWOGBH-NEPJUHHUSA-N 2 2 277.372 0.165 20 0 CCADLP C[C@H](C[NH2+]Cc1ncccn1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001401622396 916398119 /nfs/dbraw/zinc/39/81/19/916398119.db2.gz VXVCFOORWWOGBH-NEPJUHHUSA-N 2 2 277.372 0.165 20 0 CCADLP Cc1cnc(C[NH2+]C[C@H](C)NC(=O)Cn2cc[nH+]c2)cn1 ZINC001401729294 916521460 /nfs/dbraw/zinc/52/14/60/916521460.db2.gz RXGIGCQYNRWAHO-LBPRGKRZSA-N 2 2 288.355 0.276 20 0 CCADLP CCC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@@H](C)C(=O)NC ZINC001401943981 916722954 /nfs/dbraw/zinc/72/29/54/916722954.db2.gz XTZBPJUZKXCWLW-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP CCC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@@H](C)C(=O)NC ZINC001401943981 916722960 /nfs/dbraw/zinc/72/29/60/916722960.db2.gz XTZBPJUZKXCWLW-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)NC ZINC001401943981 916722971 /nfs/dbraw/zinc/72/29/71/916722971.db2.gz XTZBPJUZKXCWLW-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)C(=O)NC ZINC001401943981 916722979 /nfs/dbraw/zinc/72/29/79/916722979.db2.gz XTZBPJUZKXCWLW-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP CCOCC[N@H+](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001331058670 917055423 /nfs/dbraw/zinc/05/54/23/917055423.db2.gz FFCQSWOIKNEMKF-UHFFFAOYSA-N 2 2 294.399 0.912 20 0 CCADLP CCOCC[N@@H+](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001331058670 917055436 /nfs/dbraw/zinc/05/54/36/917055436.db2.gz FFCQSWOIKNEMKF-UHFFFAOYSA-N 2 2 294.399 0.912 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001402516619 917071434 /nfs/dbraw/zinc/07/14/34/917071434.db2.gz VKGGVRYSHAJPAR-JHJVBQTASA-N 2 2 280.372 0.545 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCC(NC(N)=O)CC1 ZINC001331096720 917084770 /nfs/dbraw/zinc/08/47/70/917084770.db2.gz ALOWINIJOPAWTP-UHFFFAOYSA-N 2 2 251.334 0.095 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCC[N@H+](CCO)C1 ZINC001402678004 917168329 /nfs/dbraw/zinc/16/83/29/917168329.db2.gz VXIFFRQGVJSIBP-STQMWFEESA-N 2 2 294.399 0.409 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCC[N@@H+](CCO)C1 ZINC001402678004 917168337 /nfs/dbraw/zinc/16/83/37/917168337.db2.gz VXIFFRQGVJSIBP-STQMWFEESA-N 2 2 294.399 0.409 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCC[N@H+](CCO)C1 ZINC001402678004 917168349 /nfs/dbraw/zinc/16/83/49/917168349.db2.gz VXIFFRQGVJSIBP-STQMWFEESA-N 2 2 294.399 0.409 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCC[N@@H+](CCO)C1 ZINC001402678004 917168356 /nfs/dbraw/zinc/16/83/56/917168356.db2.gz VXIFFRQGVJSIBP-STQMWFEESA-N 2 2 294.399 0.409 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)CO2 ZINC001402678715 917170708 /nfs/dbraw/zinc/17/07/08/917170708.db2.gz DAKXPLPOGRSXQP-KBPBESRZSA-N 2 2 295.427 0.840 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)CO2 ZINC001402678715 917170717 /nfs/dbraw/zinc/17/07/17/917170717.db2.gz DAKXPLPOGRSXQP-KBPBESRZSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]C[C@H]1CCOC1 ZINC001402913328 917343030 /nfs/dbraw/zinc/34/30/30/917343030.db2.gz RECQCUOGVGYABT-VXGBXAGGSA-N 2 2 280.372 0.473 20 0 CCADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]C[C@H]1CCOC1 ZINC001402913328 917343048 /nfs/dbraw/zinc/34/30/48/917343048.db2.gz RECQCUOGVGYABT-VXGBXAGGSA-N 2 2 280.372 0.473 20 0 CCADLP CC(C)[NH+]1CC(CCO)(NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001403222665 917600218 /nfs/dbraw/zinc/60/02/18/917600218.db2.gz KVFDUPBCVMQXNM-UHFFFAOYSA-N 2 2 297.443 0.822 20 0 CCADLP COC[C@H](C)[NH+]1CC([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001403316922 917648158 /nfs/dbraw/zinc/64/81/58/917648158.db2.gz CHCSZYDYVCKYPO-QWRGUYRKSA-N 2 2 280.372 0.424 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[N@H+](CCO)CC1(C)C ZINC001403377688 917685790 /nfs/dbraw/zinc/68/57/90/917685790.db2.gz RWSXAXGMTIVLSK-YPMHNXCESA-N 2 2 294.399 0.407 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[N@@H+](CCO)CC1(C)C ZINC001403377688 917685798 /nfs/dbraw/zinc/68/57/98/917685798.db2.gz RWSXAXGMTIVLSK-YPMHNXCESA-N 2 2 294.399 0.407 20 0 CCADLP Cn1c[nH+]cc1CC[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC001331953812 917749590 /nfs/dbraw/zinc/74/95/90/917749590.db2.gz ANFDZCNMPXUBFK-GFCCVEGCSA-N 2 2 290.371 0.380 20 0 CCADLP COCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001332033548 917811341 /nfs/dbraw/zinc/81/13/41/917811341.db2.gz VDRRSIIDWILNGG-NWDGAFQWSA-N 2 2 280.372 0.568 20 0 CCADLP Cc1nocc1C[NH2+][C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001403641828 917872886 /nfs/dbraw/zinc/87/28/86/917872886.db2.gz XAILMENPSCOVGN-NSHDSACASA-N 2 2 291.355 0.816 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@@H](CO)[NH2+]CC(C)C)c[nH+]1 ZINC001403681923 917921048 /nfs/dbraw/zinc/92/10/48/917921048.db2.gz ORPSVZMENKGHLW-ZDUSSCGKSA-N 2 2 296.415 0.649 20 0 CCADLP COCCC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001332219202 917962753 /nfs/dbraw/zinc/96/27/53/917962753.db2.gz NJXDEVCXUCQZJF-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP COCCC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001332219202 917962763 /nfs/dbraw/zinc/96/27/63/917962763.db2.gz NJXDEVCXUCQZJF-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP COCC[NH+]1CCC([C@H](C)NC(=O)Cn2cc[nH+]c2)CC1 ZINC001404006794 918167334 /nfs/dbraw/zinc/16/73/34/918167334.db2.gz MBGNODZVGGUICW-ZDUSSCGKSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@@H](O)C[NH2+]C1CC(N(C)C(=O)CCc2c[nH+]cn2C)C1 ZINC001404017629 918173234 /nfs/dbraw/zinc/17/32/34/918173234.db2.gz KTECLBXZEXKJBT-LKSINWNRSA-N 2 2 294.399 0.313 20 0 CCADLP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@H+](Cc2cnon2)C1 ZINC001404099998 918206579 /nfs/dbraw/zinc/20/65/79/918206579.db2.gz FVXBSUGCHNXEGT-LBPRGKRZSA-N 2 2 293.371 0.104 20 0 CCADLP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001404099998 918206593 /nfs/dbraw/zinc/20/65/93/918206593.db2.gz FVXBSUGCHNXEGT-LBPRGKRZSA-N 2 2 293.371 0.104 20 0 CCADLP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(CO)on1 ZINC001332833276 918466718 /nfs/dbraw/zinc/46/67/18/918466718.db2.gz JZQIKHNTCDAXNC-LBPRGKRZSA-N 2 2 282.388 0.455 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001405122091 918611797 /nfs/dbraw/zinc/61/17/97/918611797.db2.gz LMGZBWILJJXZCE-TZMCWYRMSA-N 2 2 294.399 0.910 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001405122091 918611808 /nfs/dbraw/zinc/61/18/08/918611808.db2.gz LMGZBWILJJXZCE-TZMCWYRMSA-N 2 2 294.399 0.910 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001405122091 918611819 /nfs/dbraw/zinc/61/18/19/918611819.db2.gz LMGZBWILJJXZCE-TZMCWYRMSA-N 2 2 294.399 0.910 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001405122091 918611831 /nfs/dbraw/zinc/61/18/31/918611831.db2.gz LMGZBWILJJXZCE-TZMCWYRMSA-N 2 2 294.399 0.910 20 0 CCADLP CCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001405194526 918647006 /nfs/dbraw/zinc/64/70/06/918647006.db2.gz QHOPBYZIBAUFCG-QWHCGFSZSA-N 2 2 280.372 0.187 20 0 CCADLP CCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001405194526 918647017 /nfs/dbraw/zinc/64/70/17/918647017.db2.gz QHOPBYZIBAUFCG-QWHCGFSZSA-N 2 2 280.372 0.187 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CCO ZINC001406048808 919013554 /nfs/dbraw/zinc/01/35/54/919013554.db2.gz WJAYTPGWOWMJLO-STQMWFEESA-N 2 2 294.399 0.168 20 0 CCADLP O=CN1CCC([NH2+]C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001333778113 919155237 /nfs/dbraw/zinc/15/52/37/919155237.db2.gz ZRBIXNFZTSGIBE-CQSZACIVSA-N 2 2 269.389 0.044 20 0 CCADLP O=CN1CCC([NH2+]C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001333778113 919155241 /nfs/dbraw/zinc/15/52/41/919155241.db2.gz ZRBIXNFZTSGIBE-CQSZACIVSA-N 2 2 269.389 0.044 20 0 CCADLP C[C@@H](C[NH2+]Cc1cncs1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001406451340 919278715 /nfs/dbraw/zinc/27/87/15/919278715.db2.gz GWSLTMZPOAGVBC-JQWIXIFHSA-N 2 2 298.412 0.068 20 0 CCADLP C[C@@H](C[NH2+]Cc1cncs1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001406451340 919278730 /nfs/dbraw/zinc/27/87/30/919278730.db2.gz GWSLTMZPOAGVBC-JQWIXIFHSA-N 2 2 298.412 0.068 20 0 CCADLP C[C@@H](C[NH2+]Cc1cscn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001406452950 919280118 /nfs/dbraw/zinc/28/01/18/919280118.db2.gz KXQGSIPSTDEFJU-JQWIXIFHSA-N 2 2 298.412 0.068 20 0 CCADLP C[C@@H](C[NH2+]Cc1cscn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001406452950 919280127 /nfs/dbraw/zinc/28/01/27/919280127.db2.gz KXQGSIPSTDEFJU-JQWIXIFHSA-N 2 2 298.412 0.068 20 0 CCADLP C[C@H](C[N@H+](C)Cc1cnn(C)c1)NC(=O)Cn1cc[nH+]c1 ZINC001406694212 919429223 /nfs/dbraw/zinc/42/92/23/919429223.db2.gz MZPAJSASSTZZOW-GFCCVEGCSA-N 2 2 290.371 0.253 20 0 CCADLP C[C@H](C[N@@H+](C)Cc1cnn(C)c1)NC(=O)Cn1cc[nH+]c1 ZINC001406694212 919429236 /nfs/dbraw/zinc/42/92/36/919429236.db2.gz MZPAJSASSTZZOW-GFCCVEGCSA-N 2 2 290.371 0.253 20 0 CCADLP CC[C@H](C[N@@H+]1CC[C@H]1CNC(=O)CCn1cc[nH+]c1)OC ZINC001406856129 919501587 /nfs/dbraw/zinc/50/15/87/919501587.db2.gz ZEAWCWYCDBNJON-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP CC[C@H](C[N@H+]1CC[C@H]1CNC(=O)CCn1cc[nH+]c1)OC ZINC001406856129 919501595 /nfs/dbraw/zinc/50/15/95/919501595.db2.gz ZEAWCWYCDBNJON-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@@H+]1CCn1cccn1 ZINC001406896795 919522564 /nfs/dbraw/zinc/52/25/64/919522564.db2.gz DGVKMOHZZJHDOH-AWEZNQCLSA-N 2 2 291.399 0.169 20 0 CCADLP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@H+]1CCn1cccn1 ZINC001406896795 919522576 /nfs/dbraw/zinc/52/25/76/919522576.db2.gz DGVKMOHZZJHDOH-AWEZNQCLSA-N 2 2 291.399 0.169 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@@H+]1CC1CCOCC1 ZINC001406894726 919523746 /nfs/dbraw/zinc/52/37/46/919523746.db2.gz LDACYTMVGBMNAH-CQSZACIVSA-N 2 2 292.383 0.500 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@H+]1CC1CCOCC1 ZINC001406894726 919523757 /nfs/dbraw/zinc/52/37/57/919523757.db2.gz LDACYTMVGBMNAH-CQSZACIVSA-N 2 2 292.383 0.500 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001407182176 919654693 /nfs/dbraw/zinc/65/46/93/919654693.db2.gz VAFWSEBKRWJRNY-DZGCQCFKSA-N 2 2 294.399 0.889 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001407182176 919654700 /nfs/dbraw/zinc/65/47/00/919654700.db2.gz VAFWSEBKRWJRNY-DZGCQCFKSA-N 2 2 294.399 0.889 20 0 CCADLP CN1C[C@@H](C[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)OC1=O ZINC001334631694 919685761 /nfs/dbraw/zinc/68/57/61/919685761.db2.gz KPQGKUVYVBSWSM-MDZLAQPJSA-N 2 2 253.346 0.321 20 0 CCADLP CN1C[C@@H](C[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)OC1=O ZINC001334631694 919685773 /nfs/dbraw/zinc/68/57/73/919685773.db2.gz KPQGKUVYVBSWSM-MDZLAQPJSA-N 2 2 253.346 0.321 20 0 CCADLP CN1C[C@@H](C[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)OC1=O ZINC001334631694 919685783 /nfs/dbraw/zinc/68/57/83/919685783.db2.gz KPQGKUVYVBSWSM-MDZLAQPJSA-N 2 2 253.346 0.321 20 0 CCADLP CN1C[C@@H](C[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)OC1=O ZINC001334631694 919685793 /nfs/dbraw/zinc/68/57/93/919685793.db2.gz KPQGKUVYVBSWSM-MDZLAQPJSA-N 2 2 253.346 0.321 20 0 CCADLP O=C(C[NH+]1CCCC1)NCC1(O)C[NH+](CCC2CC2)C1 ZINC001407472694 919769330 /nfs/dbraw/zinc/76/93/30/919769330.db2.gz QYQMRBWGTITZLP-UHFFFAOYSA-N 2 2 281.400 0.045 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@H]1COCC[NH+]1CCC ZINC001407771954 919880700 /nfs/dbraw/zinc/88/07/00/919880700.db2.gz RTONAQIBVLSKEK-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@H]1COCC[NH+]1CCC ZINC001407771954 919880712 /nfs/dbraw/zinc/88/07/12/919880712.db2.gz RTONAQIBVLSKEK-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[NH+](C)CC(=O)NC[C@H]1COCC[N@@H+]1CCC ZINC001407771954 919880723 /nfs/dbraw/zinc/88/07/23/919880723.db2.gz RTONAQIBVLSKEK-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[NH+](C)CC(=O)NC[C@H]1COCC[N@H+]1CCC ZINC001407771954 919880735 /nfs/dbraw/zinc/88/07/35/919880735.db2.gz RTONAQIBVLSKEK-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)N2C[C@H]3CC[NH+](C)[C@H]3C2)CCO1 ZINC001414545398 920382756 /nfs/dbraw/zinc/38/27/56/920382756.db2.gz RLJUOWPJZUIHKY-MCIONIFRSA-N 2 2 296.415 0.053 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)N2C[C@H]3CC[NH+](C)[C@H]3C2)CCO1 ZINC001414545398 920382767 /nfs/dbraw/zinc/38/27/67/920382767.db2.gz RLJUOWPJZUIHKY-MCIONIFRSA-N 2 2 296.415 0.053 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)CCO1 ZINC001414545398 920382780 /nfs/dbraw/zinc/38/27/80/920382780.db2.gz RLJUOWPJZUIHKY-MCIONIFRSA-N 2 2 296.415 0.053 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)CCO1 ZINC001414545398 920382796 /nfs/dbraw/zinc/38/27/96/920382796.db2.gz RLJUOWPJZUIHKY-MCIONIFRSA-N 2 2 296.415 0.053 20 0 CCADLP C[C@H](Nc1cc[nH+]c(N)n1)[C@@H]1C[N@@H+](C)CCN1C ZINC001336726816 920959068 /nfs/dbraw/zinc/95/90/68/920959068.db2.gz RTTQYDHIHXZCOM-UWVGGRQHSA-N 2 2 250.350 0.105 20 0 CCADLP C[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)O)Cn1cc[nH+]c1 ZINC001336738782 920968596 /nfs/dbraw/zinc/96/85/96/920968596.db2.gz FDTOYTDEYGLMNL-RYUDHWBXSA-N 2 2 255.362 0.631 20 0 CCADLP C[C@@H]1CN(C(=O)NCc2c[nH+]cn2C)CC[C@@H]1C[NH3+] ZINC001336893029 921086707 /nfs/dbraw/zinc/08/67/07/921086707.db2.gz DJUBHEAIWMWFTF-GHMZBOCLSA-N 2 2 265.361 0.546 20 0 CCADLP CC[C@@H](C[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1)OC ZINC001418117153 921840393 /nfs/dbraw/zinc/84/03/93/921840393.db2.gz ZWTWMURLICQTPA-XQQFMLRXSA-N 2 2 294.399 0.922 20 0 CCADLP Cc1ccnc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001418213996 921924156 /nfs/dbraw/zinc/92/41/56/921924156.db2.gz MRYPERWOVCRSOA-STQMWFEESA-N 2 2 291.399 0.474 20 0 CCADLP Cc1ccnc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001418213996 921924169 /nfs/dbraw/zinc/92/41/69/921924169.db2.gz MRYPERWOVCRSOA-STQMWFEESA-N 2 2 291.399 0.474 20 0 CCADLP C[C@@H](CNC(=O)[C@]12CC[C@H]1C[NH2+]C2)Cn1cc[nH+]c1 ZINC001340044267 921929946 /nfs/dbraw/zinc/92/99/46/921929946.db2.gz IYZQQTADBPRGNI-OBJOEFQTSA-N 2 2 262.357 0.635 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ncccn1 ZINC001418242960 921956369 /nfs/dbraw/zinc/95/63/69/921956369.db2.gz IKNLRJULNRUAKP-OLZOCXBDSA-N 2 2 291.399 0.555 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1ncccn1 ZINC001418242960 921956376 /nfs/dbraw/zinc/95/63/76/921956376.db2.gz IKNLRJULNRUAKP-OLZOCXBDSA-N 2 2 291.399 0.555 20 0 CCADLP CC(C)(C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1c[nH+]c[nH]1 ZINC001340161530 921987363 /nfs/dbraw/zinc/98/73/63/921987363.db2.gz AKUBYTVDMAUHHO-MNOVXSKESA-N 2 2 262.357 0.898 20 0 CCADLP CCc1nnc(C[NH2+][C@H](C)CNC(=O)C[NH+]2CCCC2)o1 ZINC001418313228 922014133 /nfs/dbraw/zinc/01/41/33/922014133.db2.gz DUYZOPIBSYKYEP-LLVKDONJSA-N 2 2 295.387 0.322 20 0 CCADLP CC[C@@H](C(=O)N(C)CC[NH3+])[N@@H+]1CCO[C@@H](CC)C1 ZINC001340473072 922095120 /nfs/dbraw/zinc/09/51/20/922095120.db2.gz WGCSKSKUZMTURB-RYUDHWBXSA-N 2 2 257.378 0.293 20 0 CCADLP CC[C@@H](C(=O)N(C)CC[NH3+])[N@H+]1CCO[C@@H](CC)C1 ZINC001340473072 922095134 /nfs/dbraw/zinc/09/51/34/922095134.db2.gz WGCSKSKUZMTURB-RYUDHWBXSA-N 2 2 257.378 0.293 20 0 CCADLP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1CSC[NH2+]1 ZINC001340710880 922177813 /nfs/dbraw/zinc/17/78/13/922177813.db2.gz XEWDGRUWYPHBBS-SRVKXCTJSA-N 2 2 269.414 0.782 20 0 CCADLP O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H]1CSC[NH2+]1 ZINC001340710880 922177820 /nfs/dbraw/zinc/17/78/20/922177820.db2.gz XEWDGRUWYPHBBS-SRVKXCTJSA-N 2 2 269.414 0.782 20 0 CCADLP C[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)CC[C@H]1CCCO1 ZINC001418499054 922187487 /nfs/dbraw/zinc/18/74/87/922187487.db2.gz QBOFZFBJUYNPBB-CYBMUJFWSA-N 2 2 280.372 0.569 20 0 CCADLP C[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)CC[C@H]1CCCO1 ZINC001418499054 922187498 /nfs/dbraw/zinc/18/74/98/922187498.db2.gz QBOFZFBJUYNPBB-CYBMUJFWSA-N 2 2 280.372 0.569 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001418637590 922324991 /nfs/dbraw/zinc/32/49/91/922324991.db2.gz JSYJWEVNYXFZKY-SDDRHHMPSA-N 2 2 280.372 0.472 20 0 CCADLP CC[C@@H](C(=O)Nc1cc2n(n1)CC[NH2+]C2)[NH+](C)C ZINC001341388294 922458581 /nfs/dbraw/zinc/45/85/81/922458581.db2.gz IAPLUUIMKHAYMZ-JTQLQIEISA-N 2 2 251.334 0.265 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001341747754 922655191 /nfs/dbraw/zinc/65/51/91/922655191.db2.gz JAZJUVLXZNFHMW-NXEZZACHSA-N 2 2 250.346 0.883 20 0 CCADLP O=C(NC[C@@H]([NH2+]CCF)C1CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001419275122 922745734 /nfs/dbraw/zinc/74/57/34/922745734.db2.gz LSIYYEGCPKHRRJ-QWHCGFSZSA-N 2 2 294.374 0.899 20 0 CCADLP O=C(NCCC[NH2+]C1CC1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001342002293 922757730 /nfs/dbraw/zinc/75/77/30/922757730.db2.gz CCPAWCMYPWJTFW-OAHLLOKOSA-N 2 2 295.427 0.888 20 0 CCADLP O=C(NCCC[NH2+]C1CC1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001342002293 922757746 /nfs/dbraw/zinc/75/77/46/922757746.db2.gz CCPAWCMYPWJTFW-OAHLLOKOSA-N 2 2 295.427 0.888 20 0 CCADLP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001419380658 922788414 /nfs/dbraw/zinc/78/84/14/922788414.db2.gz LJSOVELGJHUPBG-LBPRGKRZSA-N 2 2 295.387 0.410 20 0 CCADLP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001419380658 922788427 /nfs/dbraw/zinc/78/84/27/922788427.db2.gz LJSOVELGJHUPBG-LBPRGKRZSA-N 2 2 295.387 0.410 20 0 CCADLP C[C@H](C(=O)N(C)C1(C[NH3+])CCOCC1)n1cc[nH+]c1 ZINC001342096645 922801476 /nfs/dbraw/zinc/80/14/76/922801476.db2.gz QSIWDMBAVZRKGT-LLVKDONJSA-N 2 2 266.345 0.410 20 0 CCADLP C[C@@H](O)C[NH+]1CCC(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001419413668 922817057 /nfs/dbraw/zinc/81/70/57/922817057.db2.gz GOOATPGXVWDBAV-CYBMUJFWSA-N 2 2 294.399 0.482 20 0 CCADLP O=C([C@H]1CC[NH2+]1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001342499280 922982772 /nfs/dbraw/zinc/98/27/72/922982772.db2.gz NVFVRGGABDEIBR-GFCCVEGCSA-N 2 2 260.341 0.846 20 0 CCADLP C[C@H](CC(=O)N1CCC[C@@]([NH3+])(CO)C1)n1cc[nH+]c1 ZINC001342722072 923068116 /nfs/dbraw/zinc/06/81/16/923068116.db2.gz HAISXYDHSAOLQD-YPMHNXCESA-N 2 2 266.345 0.146 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@]1(C)CCC[NH2+]1 ZINC001342952790 923148701 /nfs/dbraw/zinc/14/87/01/923148701.db2.gz XOZZNDOGOOUIHN-OCCSQVGLSA-N 2 2 269.389 0.308 20 0 CCADLP CC1CC(C[NH2+]C[C@@H](O)CNC(=O)CCn2cc[nH+]c2)C1 ZINC001420156147 923352908 /nfs/dbraw/zinc/35/29/08/923352908.db2.gz HAFZUVICCNIISN-JXQTWKCFSA-N 2 2 294.399 0.386 20 0 CCADLP C[C@H](C[NH2+]Cc1ccns1)NC(=O)Cn1cc[nH+]c1 ZINC001420387756 923608734 /nfs/dbraw/zinc/60/87/34/923608734.db2.gz OIKJRVHRXVRWDC-SNVBAGLBSA-N 2 2 279.369 0.634 20 0 CCADLP CC[N@H+](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C[C@H](C)O ZINC001420404001 923629988 /nfs/dbraw/zinc/62/99/88/923629988.db2.gz KQKMHISMKYVEBY-QWHCGFSZSA-N 2 2 294.399 0.264 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C[C@H](C)O ZINC001420404001 923630002 /nfs/dbraw/zinc/63/00/02/923630002.db2.gz KQKMHISMKYVEBY-QWHCGFSZSA-N 2 2 294.399 0.264 20 0 CCADLP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1nncs1)[NH+](C)C ZINC001420472328 923694499 /nfs/dbraw/zinc/69/44/99/923694499.db2.gz VLNSAYAHLDBRPG-UWVGGRQHSA-N 2 2 285.417 0.473 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001420533528 923753380 /nfs/dbraw/zinc/75/33/80/923753380.db2.gz AFEKSEDRFZBQLI-ZDUSSCGKSA-N 2 2 299.378 0.986 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001420533528 923753394 /nfs/dbraw/zinc/75/33/94/923753394.db2.gz AFEKSEDRFZBQLI-ZDUSSCGKSA-N 2 2 299.378 0.986 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[C@@H]1C[NH3+] ZINC001345012746 923761098 /nfs/dbraw/zinc/76/10/98/923761098.db2.gz SQHXIFAEOOBCKC-DDHJBXDOSA-N 2 2 262.357 0.957 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[C@@H]1C[NH3+] ZINC001345012746 923761109 /nfs/dbraw/zinc/76/11/09/923761109.db2.gz SQHXIFAEOOBCKC-DDHJBXDOSA-N 2 2 262.357 0.957 20 0 CCADLP C[C@H](C[N@H+](C)C/C=C\Cl)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001420549112 923767450 /nfs/dbraw/zinc/76/74/50/923767450.db2.gz ARNJEKMERSNABT-JYYSYOFASA-N 2 2 289.807 0.506 20 0 CCADLP C[C@H](C[N@@H+](C)C/C=C\Cl)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001420549112 923767462 /nfs/dbraw/zinc/76/74/62/923767462.db2.gz ARNJEKMERSNABT-JYYSYOFASA-N 2 2 289.807 0.506 20 0 CCADLP C[C@H](C[NH+](C)C/C=C\Cl)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001420549112 923767473 /nfs/dbraw/zinc/76/74/73/923767473.db2.gz ARNJEKMERSNABT-JYYSYOFASA-N 2 2 289.807 0.506 20 0 CCADLP C[C@H](C[NH+](C)C/C=C\Cl)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001420549112 923767489 /nfs/dbraw/zinc/76/74/89/923767489.db2.gz ARNJEKMERSNABT-JYYSYOFASA-N 2 2 289.807 0.506 20 0 CCADLP Cc1conc1C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001420663079 923863507 /nfs/dbraw/zinc/86/35/07/923863507.db2.gz SAUGHNFUNIIPBM-QWHCGFSZSA-N 2 2 294.399 0.871 20 0 CCADLP Cc1conc1C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001420663079 923863516 /nfs/dbraw/zinc/86/35/16/923863516.db2.gz SAUGHNFUNIIPBM-QWHCGFSZSA-N 2 2 294.399 0.871 20 0 CCADLP Cc1conc1C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001420663079 923863530 /nfs/dbraw/zinc/86/35/30/923863530.db2.gz SAUGHNFUNIIPBM-QWHCGFSZSA-N 2 2 294.399 0.871 20 0 CCADLP Cc1conc1C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001420663079 923863543 /nfs/dbraw/zinc/86/35/43/923863543.db2.gz SAUGHNFUNIIPBM-QWHCGFSZSA-N 2 2 294.399 0.871 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H](C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001420757172 923922915 /nfs/dbraw/zinc/92/29/15/923922915.db2.gz DLXCOXQKOOUQJA-NEPJUHHUSA-N 2 2 294.399 0.550 20 0 CCADLP Cn1ccc(C[N@@H+]2CCC[C@H](NC(=O)CC[NH+](C)C)C2)n1 ZINC001421003324 924089288 /nfs/dbraw/zinc/08/92/88/924089288.db2.gz VAHPOWWYYVSCOR-ZDUSSCGKSA-N 2 2 293.415 0.452 20 0 CCADLP Cn1ccc(C[N@H+]2CCC[C@H](NC(=O)CC[NH+](C)C)C2)n1 ZINC001421003324 924089301 /nfs/dbraw/zinc/08/93/01/924089301.db2.gz VAHPOWWYYVSCOR-ZDUSSCGKSA-N 2 2 293.415 0.452 20 0 CCADLP CC(C)[C@H](C(=O)NC1C[NH+](C[C@@H]2CCCCO2)C1)[NH+](C)C ZINC001421082949 924142542 /nfs/dbraw/zinc/14/25/42/924142542.db2.gz DXSMJCAXDRFQHF-LSDHHAIUSA-N 2 2 297.443 0.942 20 0 CCADLP CC1(NC(=O)Cn2cc[nH+]c2)CC[NH+](CCCO)CC1 ZINC001421161116 924185978 /nfs/dbraw/zinc/18/59/78/924185978.db2.gz XHRREQMJVSZFLS-UHFFFAOYSA-N 2 2 280.372 0.236 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC1=CC[N@H+](C)CC1 ZINC001347115266 924377070 /nfs/dbraw/zinc/37/70/70/924377070.db2.gz DZVPRIHTHZDWDV-UHFFFAOYSA-N 2 2 262.357 0.731 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC1=CC[N@@H+](C)CC1 ZINC001347115266 924377078 /nfs/dbraw/zinc/37/70/78/924377078.db2.gz DZVPRIHTHZDWDV-UHFFFAOYSA-N 2 2 262.357 0.731 20 0 CCADLP Cn1cc[nH+]c1CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001348266903 924633064 /nfs/dbraw/zinc/63/30/64/924633064.db2.gz RHUMQNYZGMWBKJ-NSHDSACASA-N 2 2 250.346 0.421 20 0 CCADLP Cn1cc[nH+]c1CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001348266903 924633071 /nfs/dbraw/zinc/63/30/71/924633071.db2.gz RHUMQNYZGMWBKJ-NSHDSACASA-N 2 2 250.346 0.421 20 0 CCADLP C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001351539832 925431825 /nfs/dbraw/zinc/43/18/25/925431825.db2.gz RCWHJKXCGGGATG-UWVGGRQHSA-N 2 2 251.334 0.187 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CC[NH+](C)CC1 ZINC001351692783 925456211 /nfs/dbraw/zinc/45/62/11/925456211.db2.gz IZOMDSIDKKTDSO-VXGBXAGGSA-N 2 2 262.357 0.734 20 0 CCADLP Cn1c[nH+]cc1Cn1cc([C@@H]([NH3+])[C@H]2CCCO2)nn1 ZINC001352983255 925689710 /nfs/dbraw/zinc/68/97/10/925689710.db2.gz JHJLXAVIGZHYDG-VXGBXAGGSA-N 2 2 262.317 0.239 20 0 CCADLP CC1(C)CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1[NH3+] ZINC001354805050 926168804 /nfs/dbraw/zinc/16/88/04/926168804.db2.gz OBJQAWVMGYSDRQ-CMPLNLGQSA-N 2 2 262.357 0.641 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC001355696071 926304507 /nfs/dbraw/zinc/30/45/07/926304507.db2.gz NGMPTYAWEDLKRQ-JLLWLGSASA-N 2 2 262.357 0.974 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC001355696071 926304516 /nfs/dbraw/zinc/30/45/16/926304516.db2.gz NGMPTYAWEDLKRQ-JLLWLGSASA-N 2 2 262.357 0.974 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@H](O)c1cccnc1)C1CC1 ZINC001356544918 926398214 /nfs/dbraw/zinc/39/82/14/926398214.db2.gz LEUXNUWYUUQRRU-KBPBESRZSA-N 2 2 265.357 0.160 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H](O)c1cccnc1)C1CC1 ZINC001356544918 926398219 /nfs/dbraw/zinc/39/82/19/926398219.db2.gz LEUXNUWYUUQRRU-KBPBESRZSA-N 2 2 265.357 0.160 20 0 CCADLP CC(C)[C@H](C[NH+](C)C)[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC001357243857 926500291 /nfs/dbraw/zinc/50/02/91/926500291.db2.gz VMBBYZIZHMQPPD-QWHCGFSZSA-N 2 2 258.406 0.828 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1[C@H](C)C[NH2+][C@H](C)[C@H]1C ZINC001358176602 926651496 /nfs/dbraw/zinc/65/14/96/926651496.db2.gz PGHQFUOEIVYUNK-FXPVBKGRSA-N 2 2 250.346 0.858 20 0 CCADLP CC(C)[NH2+]C1CCN(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001421588832 926806528 /nfs/dbraw/zinc/80/65/28/926806528.db2.gz FIBYMOLFCJXRFO-UHFFFAOYSA-N 2 2 293.415 0.462 20 0 CCADLP O=C(NCC1([NH2+]CCO)CCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001421750188 926892641 /nfs/dbraw/zinc/89/26/41/926892641.db2.gz DJWOGIPCTPWCTC-GHMZBOCLSA-N 2 2 278.356 0.134 20 0 CCADLP O=C(NCC1([NH2+]CCO)CCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001421750188 926892652 /nfs/dbraw/zinc/89/26/52/926892652.db2.gz DJWOGIPCTPWCTC-GHMZBOCLSA-N 2 2 278.356 0.134 20 0 CCADLP CC[C@H](F)C[NH2+]C[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001421769353 926900369 /nfs/dbraw/zinc/90/03/69/926900369.db2.gz OBQMBHNLIQIEGD-NEPJUHHUSA-N 2 2 270.352 0.973 20 0 CCADLP CCOC(=O)[C@](C)(O)C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001414054843 926905089 /nfs/dbraw/zinc/90/50/89/926905089.db2.gz LJTHGMZYAISZAH-OAHLLOKOSA-N 2 2 295.383 0.914 20 0 CCADLP CN(CCC[N@H+](C)CCO)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001421889651 926975866 /nfs/dbraw/zinc/97/58/66/926975866.db2.gz CTVLJKBOORFOHX-UHFFFAOYSA-N 2 2 282.388 0.460 20 0 CCADLP CN(CCC[N@@H+](C)CCO)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001421889651 926975877 /nfs/dbraw/zinc/97/58/77/926975877.db2.gz CTVLJKBOORFOHX-UHFFFAOYSA-N 2 2 282.388 0.460 20 0 CCADLP CC[NH2+][C@@]1(CO)CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001421979076 927022253 /nfs/dbraw/zinc/02/22/53/927022253.db2.gz KAIXMLWETDPDNU-ZFWWWQNUSA-N 2 2 294.399 0.797 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001422000921 927032405 /nfs/dbraw/zinc/03/24/05/927032405.db2.gz XEQNGYMYKSABEE-QWRGUYRKSA-N 2 2 282.388 0.505 20 0 CCADLP C[C@H](O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001422176065 927125720 /nfs/dbraw/zinc/12/57/20/927125720.db2.gz MIXGGCDHNWZYBE-STQMWFEESA-N 2 2 294.399 0.217 20 0 CCADLP C[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001422176065 927125733 /nfs/dbraw/zinc/12/57/33/927125733.db2.gz MIXGGCDHNWZYBE-STQMWFEESA-N 2 2 294.399 0.217 20 0 CCADLP COCC[N@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001422250347 927174995 /nfs/dbraw/zinc/17/49/95/927174995.db2.gz OVIDHEAIERJYLV-CYBMUJFWSA-N 2 2 294.399 0.532 20 0 CCADLP COCC[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001422250347 927175003 /nfs/dbraw/zinc/17/50/03/927175003.db2.gz OVIDHEAIERJYLV-CYBMUJFWSA-N 2 2 294.399 0.532 20 0 CCADLP C[C@@H](NC(=O)c1cccc2[nH+]ccn21)[C@@H](C)[NH2+]CCO ZINC001422386677 927257277 /nfs/dbraw/zinc/25/72/77/927257277.db2.gz VSYDAHKRAWWYGH-GHMZBOCLSA-N 2 2 276.340 0.423 20 0 CCADLP COC[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001422515048 927339354 /nfs/dbraw/zinc/33/93/54/927339354.db2.gz GOUBKPZPBFDZPM-VXGBXAGGSA-N 2 2 282.388 0.814 20 0 CCADLP COC[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001422515048 927339366 /nfs/dbraw/zinc/33/93/66/927339366.db2.gz GOUBKPZPBFDZPM-VXGBXAGGSA-N 2 2 282.388 0.814 20 0 CCADLP COC[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001422515048 927339379 /nfs/dbraw/zinc/33/93/79/927339379.db2.gz GOUBKPZPBFDZPM-VXGBXAGGSA-N 2 2 282.388 0.814 20 0 CCADLP COC[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001422515048 927339392 /nfs/dbraw/zinc/33/93/92/927339392.db2.gz GOUBKPZPBFDZPM-VXGBXAGGSA-N 2 2 282.388 0.814 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C)o1 ZINC001422616515 927410771 /nfs/dbraw/zinc/41/07/71/927410771.db2.gz HTAVMQHILWHHSL-GHMZBOCLSA-N 2 2 297.403 0.874 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)o1 ZINC001422616515 927410785 /nfs/dbraw/zinc/41/07/85/927410785.db2.gz HTAVMQHILWHHSL-GHMZBOCLSA-N 2 2 297.403 0.874 20 0 CCADLP COCC[N@@H+]1CCCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001422715143 927468417 /nfs/dbraw/zinc/46/84/17/927468417.db2.gz GTCUDEWVYPDNKN-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP COCC[N@H+]1CCCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001422715143 927468431 /nfs/dbraw/zinc/46/84/31/927468431.db2.gz GTCUDEWVYPDNKN-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP C[C@@H](CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CCF ZINC001423075980 927662339 /nfs/dbraw/zinc/66/23/39/927662339.db2.gz JEIKGEVNGKZTTD-NWDGAFQWSA-N 2 2 282.363 0.852 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001362160636 927680436 /nfs/dbraw/zinc/68/04/36/927680436.db2.gz UXTNSSNWLGNNFG-ZIAGYGMSSA-N 2 2 281.400 0.261 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001362160636 927680446 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C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C1CC[NH+](CCO)CC1 ZINC001423664348 927953008 /nfs/dbraw/zinc/95/30/08/927953008.db2.gz SRPMMHOCQUYHGG-LBPRGKRZSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](NC(=O)CCc1c[nH+]c[nH]1)C1CC[NH+](CCO)CC1 ZINC001423664348 927953013 /nfs/dbraw/zinc/95/30/13/927953013.db2.gz SRPMMHOCQUYHGG-LBPRGKRZSA-N 2 2 294.399 0.551 20 0 CCADLP CO[C@H](C)C[NH2+]C1CC(N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001423694112 927960603 /nfs/dbraw/zinc/96/06/03/927960603.db2.gz YXXKNOZPBOXFMF-VOMCLLRMSA-N 2 2 280.372 0.566 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001424088453 928093485 /nfs/dbraw/zinc/09/34/85/928093485.db2.gz ISZFXGUXPOZPQI-JHJVBQTASA-N 2 2 294.399 0.598 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1csnn1 ZINC001424859825 928320058 /nfs/dbraw/zinc/32/00/58/928320058.db2.gz RCHVATYJOYQGKB-QWRGUYRKSA-N 2 2 299.444 0.861 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1csnn1 ZINC001424859825 928320062 /nfs/dbraw/zinc/32/00/62/928320062.db2.gz RCHVATYJOYQGKB-QWRGUYRKSA-N 2 2 299.444 0.861 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)o1 ZINC001424855292 928320601 /nfs/dbraw/zinc/32/06/01/928320601.db2.gz MFIIASCCJKHSHW-GHMZBOCLSA-N 2 2 297.403 0.701 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)C(C)C)o1 ZINC001424855292 928320616 /nfs/dbraw/zinc/32/06/16/928320616.db2.gz MFIIASCCJKHSHW-GHMZBOCLSA-N 2 2 297.403 0.701 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001363042257 928798671 /nfs/dbraw/zinc/79/86/71/928798671.db2.gz ZDFNUOILUKOJEV-RDBSUJKOSA-N 2 2 299.390 0.209 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001363042257 928798676 /nfs/dbraw/zinc/79/86/76/928798676.db2.gz ZDFNUOILUKOJEV-RDBSUJKOSA-N 2 2 299.390 0.209 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC001363051286 928809912 /nfs/dbraw/zinc/80/99/12/928809912.db2.gz NPQYTECLQPXUCR-CQSZACIVSA-N 2 2 281.400 0.404 20 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Cc1[nH+]c[nH]c1CC(=O)NC1(C[NH2+]C[C@@H](C)O)CCCC1 ZINC001444089563 929788275 /nfs/dbraw/zinc/78/82/75/929788275.db2.gz PGABZCLAZSJQBX-LLVKDONJSA-N 2 2 294.399 0.660 20 0 CCADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)CC1CCOCC1 ZINC001372485837 929852739 /nfs/dbraw/zinc/85/27/39/929852739.db2.gz GBTZJMUZGQKCIS-UHFFFAOYSA-N 2 2 294.399 0.748 20 0 CCADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)CC1CCOCC1 ZINC001372485837 929852744 /nfs/dbraw/zinc/85/27/44/929852744.db2.gz GBTZJMUZGQKCIS-UHFFFAOYSA-N 2 2 294.399 0.748 20 0 CCADLP O=C(NCC1([NH2+]CCO)CCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001444503433 929885400 /nfs/dbraw/zinc/88/54/00/929885400.db2.gz IMVMNQLMGDLPEV-VXGBXAGGSA-N 2 2 292.383 0.524 20 0 CCADLP O=C(NCC1([NH2+]CCO)CCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001444503433 929885406 /nfs/dbraw/zinc/88/54/06/929885406.db2.gz IMVMNQLMGDLPEV-VXGBXAGGSA-N 2 2 292.383 0.524 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NC[C@H](O)C[NH2+]CC1CCC1 ZINC001445197551 930064168 /nfs/dbraw/zinc/06/41/68/930064168.db2.gz DTJPVEOGDFATSV-CYBMUJFWSA-N 2 2 294.399 0.220 20 0 CCADLP COC[C@@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001373303601 930134602 /nfs/dbraw/zinc/13/46/02/930134602.db2.gz YGYCMZJGDIXJCX-OLZOCXBDSA-N 2 2 294.399 0.767 20 0 CCADLP COC[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001373303601 930134609 /nfs/dbraw/zinc/13/46/09/930134609.db2.gz YGYCMZJGDIXJCX-OLZOCXBDSA-N 2 2 294.399 0.767 20 0 CCADLP CCO[C@@H](C[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1)C1CC1 ZINC001373415168 930180371 /nfs/dbraw/zinc/18/03/71/930180371.db2.gz CNWZGXNGKAKTGV-GJZGRUSLSA-N 2 2 295.427 0.696 20 0 CCADLP CCO[C@@H](C[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1)C1CC1 ZINC001373415168 930180380 /nfs/dbraw/zinc/18/03/80/930180380.db2.gz CNWZGXNGKAKTGV-GJZGRUSLSA-N 2 2 295.427 0.696 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C)o1 ZINC001445654072 930197897 /nfs/dbraw/zinc/19/78/97/930197897.db2.gz HTAVMQHILWHHSL-WDEREUQCSA-N 2 2 297.403 0.874 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)C(C)C)o1 ZINC001445654072 930197905 /nfs/dbraw/zinc/19/79/05/930197905.db2.gz HTAVMQHILWHHSL-WDEREUQCSA-N 2 2 297.403 0.874 20 0 CCADLP C[C@H](C[N@H+](C)CC[C@@H]1CCOC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001445821520 930260186 /nfs/dbraw/zinc/26/01/86/930260186.db2.gz QYCSYILEMYHGGR-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H](C[N@@H+](C)CC[C@@H]1CCOC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001445821520 930260193 /nfs/dbraw/zinc/26/01/93/930260193.db2.gz QYCSYILEMYHGGR-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H](C[N@H+](C)CCCO)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001445819697 930260503 /nfs/dbraw/zinc/26/05/03/930260503.db2.gz NSHDEJZUVWXRIN-VXGBXAGGSA-N 2 2 282.388 0.407 20 0 CCADLP C[C@H](C[N@@H+](C)CCCO)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001445819697 930260509 /nfs/dbraw/zinc/26/05/09/930260509.db2.gz NSHDEJZUVWXRIN-VXGBXAGGSA-N 2 2 282.388 0.407 20 0 CCADLP C[C@H](C[N@H+](C)CCCO)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001445819697 930260520 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CCADLP CC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc1nnc(C)o1)[NH+](C)C ZINC001373820441 930353650 /nfs/dbraw/zinc/35/36/50/930353650.db2.gz JSUKFQLQQWBJDS-NWDGAFQWSA-N 2 2 297.403 0.703 20 0 CCADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1conc1C ZINC001373834101 930356581 /nfs/dbraw/zinc/35/65/81/930356581.db2.gz IJJBGVJQVHFPSZ-ZDUSSCGKSA-N 2 2 291.355 0.864 20 0 CCADLP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]Cc1cnsn1 ZINC001373967804 930381928 /nfs/dbraw/zinc/38/19/28/930381928.db2.gz WXQGEZJBJDQGEB-GFCCVEGCSA-N 2 2 297.428 0.570 20 0 CCADLP C[C@H](O)CCC[N@@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001446558148 930437464 /nfs/dbraw/zinc/43/74/64/930437464.db2.gz DQKSKFMYDGCTMQ-ZFWWWQNUSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@H](O)CCC[N@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001446558148 930437476 /nfs/dbraw/zinc/43/74/76/930437476.db2.gz DQKSKFMYDGCTMQ-ZFWWWQNUSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@@H](O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001374510575 930539544 /nfs/dbraw/zinc/53/95/44/930539544.db2.gz SXFHWJOSYMKMHS-OLZOCXBDSA-N 2 2 294.399 0.217 20 0 CCADLP C[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001374510575 930539558 /nfs/dbraw/zinc/53/95/58/930539558.db2.gz SXFHWJOSYMKMHS-OLZOCXBDSA-N 2 2 294.399 0.217 20 0 CCADLP COC[C@H](C)[N@H+](C)CCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001374553382 930554326 /nfs/dbraw/zinc/55/43/26/930554326.db2.gz TTYIUOSUCVSLKL-NSHDSACASA-N 2 2 282.388 0.686 20 0 CCADLP COC[C@H](C)[N@@H+](C)CCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001374553382 930554331 /nfs/dbraw/zinc/55/43/31/930554331.db2.gz TTYIUOSUCVSLKL-NSHDSACASA-N 2 2 282.388 0.686 20 0 CCADLP C[C@H](C[NH2+]Cc1cncs1)NC(=O)Cc1c[nH+]cn1C ZINC001374833370 930684920 /nfs/dbraw/zinc/68/49/20/930684920.db2.gz MGZAJMGMOAGUTQ-SNVBAGLBSA-N 2 2 293.396 0.714 20 0 CCADLP C[C@@H](C[NH2+]Cc1ccn(C)n1)NC(=O)CCn1cc[nH+]c1 ZINC001374919799 930724414 /nfs/dbraw/zinc/72/44/14/930724414.db2.gz FYEVTLPGHGMQEG-LBPRGKRZSA-N 2 2 290.371 0.301 20 0 CCADLP Cc1noc([C@H](C)[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C)n1 ZINC001374981275 930744078 /nfs/dbraw/zinc/74/40/78/930744078.db2.gz KCCGMBZRVLUPOA-QWRGUYRKSA-N 2 2 297.403 0.874 20 0 CCADLP Cc1noc([C@H](C)[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)C(C)C)n1 ZINC001374981275 930744082 /nfs/dbraw/zinc/74/40/82/930744082.db2.gz KCCGMBZRVLUPOA-QWRGUYRKSA-N 2 2 297.403 0.874 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001448028194 930791012 /nfs/dbraw/zinc/79/10/12/930791012.db2.gz YFBNSHGTHNCCJU-VXGBXAGGSA-N 2 2 264.373 0.902 20 0 CCADLP CC[C@H](C[N@H+](C)[C@@H](C)CNC(=O)Cc1c[nH+]cn1C)OC ZINC001448127829 930825747 /nfs/dbraw/zinc/82/57/47/930825747.db2.gz BDTSTBITFVNSHV-GXTWGEPZSA-N 2 2 296.415 0.824 20 0 CCADLP CC[C@H](C[N@@H+](C)[C@@H](C)CNC(=O)Cc1c[nH+]cn1C)OC ZINC001448127829 930825755 /nfs/dbraw/zinc/82/57/55/930825755.db2.gz BDTSTBITFVNSHV-GXTWGEPZSA-N 2 2 296.415 0.824 20 0 CCADLP CC[C@@H](F)C[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001375521057 930906192 /nfs/dbraw/zinc/90/61/92/930906192.db2.gz KVXATORWWZLJQQ-LLVKDONJSA-N 2 2 282.363 0.949 20 0 CCADLP CC(C)[NH2+]C[C@H](O)CN(C)C(=O)CCCn1cc[nH+]c1 ZINC001449179048 931092597 /nfs/dbraw/zinc/09/25/97/931092597.db2.gz WUHQMTYZBFBFLX-ZDUSSCGKSA-N 2 2 282.388 0.481 20 0 CCADLP C[C@H](O)C[N@H+](C)C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001376289505 931113867 /nfs/dbraw/zinc/11/38/67/931113867.db2.gz JIDQQQIXGSUURA-KBPBESRZSA-N 2 2 294.399 0.434 20 0 CCADLP C[C@H](O)C[N@@H+](C)C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001376289505 931113872 /nfs/dbraw/zinc/11/38/72/931113872.db2.gz JIDQQQIXGSUURA-KBPBESRZSA-N 2 2 294.399 0.434 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC1(O)C[NH+](CC(C)C)C1 ZINC001376294654 931116630 /nfs/dbraw/zinc/11/66/30/931116630.db2.gz FVLGTBVLUSPPHK-UHFFFAOYSA-N 2 2 280.372 0.010 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001376378981 931138154 /nfs/dbraw/zinc/13/81/54/931138154.db2.gz XXNXQAUWSFXYMS-AVGNSLFASA-N 2 2 294.399 0.624 20 0 CCADLP CO[C@H](C)C[N@@H+]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001376540729 931177813 /nfs/dbraw/zinc/17/78/13/931177813.db2.gz YPXGGKFGMISJMN-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP CO[C@H](C)C[N@H+]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001376540729 931177818 /nfs/dbraw/zinc/17/78/18/931177818.db2.gz YPXGGKFGMISJMN-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP CC1CC[NH+](CC(=O)N2CC[N@@H+]3C[C@@H](F)C[C@H]3C2)CC1 ZINC001450066328 931226949 /nfs/dbraw/zinc/22/69/49/931226949.db2.gz WECRGQYNSPVSMQ-KBPBESRZSA-N 2 2 283.391 0.973 20 0 CCADLP CC1CC[NH+](CC(=O)N2CC[N@H+]3C[C@@H](F)C[C@H]3C2)CC1 ZINC001450066328 931226957 /nfs/dbraw/zinc/22/69/57/931226957.db2.gz WECRGQYNSPVSMQ-KBPBESRZSA-N 2 2 283.391 0.973 20 0 CCADLP CC(C)C[NH+]1CCN([C@H](C)C[NH+]2CCOCC2)CC1 ZINC000091506355 349465253 /nfs/dbraw/zinc/46/52/53/349465253.db2.gz SNXFHASQAIGOTP-OAHLLOKOSA-N 2 2 269.433 0.981 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)C(=O)NC3CC3)C2)CC1 ZINC000337499120 214122938 /nfs/dbraw/zinc/12/29/38/214122938.db2.gz KPEUZDMIOMUMEC-UKRRQHHQSA-N 2 2 294.443 0.365 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)C(=O)NC3CC3)C2)CC1 ZINC000337499120 214122940 /nfs/dbraw/zinc/12/29/40/214122940.db2.gz KPEUZDMIOMUMEC-UKRRQHHQSA-N 2 2 294.443 0.365 20 0 CCADLP Cc1cccnc1C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000093158951 349527893 /nfs/dbraw/zinc/52/78/93/349527893.db2.gz RAWUNCYYEAXGHE-UHFFFAOYSA-N 2 2 276.384 0.596 20 0 CCADLP C[C@H](O)C[N@H+](CC(=O)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000093172256 349528255 /nfs/dbraw/zinc/52/82/55/349528255.db2.gz PCFGMKJGBIWSMN-AWEZNQCLSA-N 2 2 297.443 0.776 20 0 CCADLP C[C@H](O)C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000093172256 349528258 /nfs/dbraw/zinc/52/82/58/349528258.db2.gz PCFGMKJGBIWSMN-AWEZNQCLSA-N 2 2 297.443 0.776 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000093874416 349554891 /nfs/dbraw/zinc/55/48/91/349554891.db2.gz KKHBSKXGYGASMP-UHFFFAOYSA-N 2 2 258.366 0.139 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093874416 349554895 /nfs/dbraw/zinc/55/48/95/349554895.db2.gz KKHBSKXGYGASMP-UHFFFAOYSA-N 2 2 258.366 0.139 20 0 CCADLP Cn1cccc1C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000093821401 349555134 /nfs/dbraw/zinc/55/51/34/349555134.db2.gz TZCAPVBSDRSTHT-HNNXBMFYSA-N 2 2 290.411 0.764 20 0 CCADLP Cn1cccc1C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000093821401 349555136 /nfs/dbraw/zinc/55/51/36/349555136.db2.gz TZCAPVBSDRSTHT-HNNXBMFYSA-N 2 2 290.411 0.764 20 0 CCADLP O=C(NCC[NH+]1CCC1)NCC[NH+]1CCSCC1 ZINC000337745217 214243403 /nfs/dbraw/zinc/24/34/03/214243403.db2.gz WNLUSEVLNRZDBW-UHFFFAOYSA-N 2 2 272.418 0.040 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000337751753 214247360 /nfs/dbraw/zinc/24/73/60/214247360.db2.gz JKTNWWFOKHMKBV-LBPRGKRZSA-N 2 2 262.419 0.870 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000337751753 214247361 /nfs/dbraw/zinc/24/73/61/214247361.db2.gz JKTNWWFOKHMKBV-LBPRGKRZSA-N 2 2 262.419 0.870 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)no1 ZINC000125365358 187182195 /nfs/dbraw/zinc/18/21/95/187182195.db2.gz VALZSFTWSYUONH-TUAOUCFPSA-N 2 2 278.356 0.981 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)no1 ZINC000125365358 187182196 /nfs/dbraw/zinc/18/21/96/187182196.db2.gz VALZSFTWSYUONH-TUAOUCFPSA-N 2 2 278.356 0.981 20 0 CCADLP COC(=O)CN1CCC([NH2+]C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000600215930 361893074 /nfs/dbraw/zinc/89/30/74/361893074.db2.gz SRLBJUIMLXEPDF-ZDUSSCGKSA-N 2 2 269.389 0.308 20 0 CCADLP COC(=O)CN1CCC([NH2+]C[C@@H]2CCC[N@H+]2C)CC1 ZINC000600215930 361893078 /nfs/dbraw/zinc/89/30/78/361893078.db2.gz SRLBJUIMLXEPDF-ZDUSSCGKSA-N 2 2 269.389 0.308 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@H]([NH3+])C2CC2)CCO1 ZINC000418498875 529391654 /nfs/dbraw/zinc/39/16/54/529391654.db2.gz MUHQJROTFSZDPC-OLZOCXBDSA-N 2 2 284.404 0.134 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@H]([NH3+])C2CC2)CCO1 ZINC000418498875 529391657 /nfs/dbraw/zinc/39/16/57/529391657.db2.gz MUHQJROTFSZDPC-OLZOCXBDSA-N 2 2 284.404 0.134 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)C[NH+](CC)C2CC2)CCO1 ZINC000427741273 529391198 /nfs/dbraw/zinc/39/11/98/529391198.db2.gz MCVHFZQSXSMAHD-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)C[NH+](CC)C2CC2)CCO1 ZINC000427741273 529391199 /nfs/dbraw/zinc/39/11/99/529391199.db2.gz MCVHFZQSXSMAHD-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@@H]1C[NH+](CCNC(=O)C[N@H+](CC)C2CC2)CCO1 ZINC000427741273 529391200 /nfs/dbraw/zinc/39/12/00/529391200.db2.gz MCVHFZQSXSMAHD-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@@H]1C[NH+](CCNC(=O)C[N@@H+](CC)C2CC2)CCO1 ZINC000427741273 529391203 /nfs/dbraw/zinc/39/12/03/529391203.db2.gz MCVHFZQSXSMAHD-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)CCO1 ZINC000418805008 529392927 /nfs/dbraw/zinc/39/29/27/529392927.db2.gz ZRAWDCDICXFVSK-MELADBBJSA-N 2 2 298.431 0.524 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)CCO1 ZINC000418805008 529392928 /nfs/dbraw/zinc/39/29/28/529392928.db2.gz ZRAWDCDICXFVSK-MELADBBJSA-N 2 2 298.431 0.524 20 0 CCADLP CC(C)[NH+]1CCC(C(=O)N2CC[NH+](CCO)CC2)CC1 ZINC000096625449 349622205 /nfs/dbraw/zinc/62/22/05/349622205.db2.gz PTSFYMLKEPSFLR-UHFFFAOYSA-N 2 2 283.416 0.243 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)NC2CC[NH+](C)CC2)CCO1 ZINC000492134592 529392039 /nfs/dbraw/zinc/39/20/39/529392039.db2.gz TWQUDLRUVWQHJA-CQSZACIVSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH+](C)CC2)CCO1 ZINC000492134592 529392041 /nfs/dbraw/zinc/39/20/41/529392041.db2.gz TWQUDLRUVWQHJA-CQSZACIVSA-N 2 2 298.431 0.491 20 0 CCADLP [NH3+][C@H]1CC[C@@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000097092402 349627080 /nfs/dbraw/zinc/62/70/80/349627080.db2.gz PTSVFWYCGGZTQR-OLZOCXBDSA-N 2 2 274.368 0.858 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000423786008 529417056 /nfs/dbraw/zinc/41/70/56/529417056.db2.gz PGDCPTXRGOCGQQ-DYEKYZERSA-N 2 2 299.415 0.456 20 0 CCADLP CN(CC[NH+]1CCCC1)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338172716 214430164 /nfs/dbraw/zinc/43/01/64/214430164.db2.gz XQFAVFYUKYRMGH-UHFFFAOYSA-N 2 2 283.416 0.651 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000418729639 529445832 /nfs/dbraw/zinc/44/58/32/529445832.db2.gz ODQBRXYZZYSMBA-AWEZNQCLSA-N 2 2 291.399 0.646 20 0 CCADLP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccn[nH]2)CC1 ZINC000105476241 349722858 /nfs/dbraw/zinc/72/28/58/349722858.db2.gz FOSHDQVNYQINCK-UHFFFAOYSA-N 2 2 251.378 0.527 20 0 CCADLP C[N@H+]1CCCN(CCC[NH2+]Cc2ccn[nH]2)CC1 ZINC000105476241 349722862 /nfs/dbraw/zinc/72/28/62/349722862.db2.gz FOSHDQVNYQINCK-UHFFFAOYSA-N 2 2 251.378 0.527 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+]([C@H](C)C(N)=O)CC2)c1 ZINC000104719462 349717563 /nfs/dbraw/zinc/71/75/63/349717563.db2.gz JFPAIDLWPNDOLS-SNVBAGLBSA-N 2 2 264.329 0.086 20 0 CCADLP CCCCNC(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000107369775 349737210 /nfs/dbraw/zinc/73/72/10/349737210.db2.gz AUTJRZOPCVGSCY-OAHLLOKOSA-N 2 2 296.459 0.615 20 0 CCADLP CCCCNC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000107369775 349737211 /nfs/dbraw/zinc/73/72/11/349737211.db2.gz AUTJRZOPCVGSCY-OAHLLOKOSA-N 2 2 296.459 0.615 20 0 CCADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)NC1CCCCCC1 ZINC000107574026 349738832 /nfs/dbraw/zinc/73/88/32/349738832.db2.gz VRWBNKKFBOXOTL-STQMWFEESA-N 2 2 265.401 0.977 20 0 CCADLP CC[C@H](C(=O)NCCn1cc[nH+]c1)[N@@H+]1CCO[C@H](CC)C1 ZINC000448695646 529607789 /nfs/dbraw/zinc/60/77/89/529607789.db2.gz ZGFZSOLDHZIODK-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP CC[C@H](C(=O)NCCn1cc[nH+]c1)[N@H+]1CCO[C@H](CC)C1 ZINC000448695646 529607792 /nfs/dbraw/zinc/60/77/92/529607792.db2.gz ZGFZSOLDHZIODK-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000126193517 187222874 /nfs/dbraw/zinc/22/28/74/187222874.db2.gz YEDJMFKYNDMTPO-WOPDTQHZSA-N 2 2 250.346 0.776 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cnc(C(=O)OC)cn2)C1 ZINC000600699770 362036177 /nfs/dbraw/zinc/03/61/77/362036177.db2.gz CZCMEOLWMCLJOK-LLVKDONJSA-N 2 2 278.356 0.695 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cnc(C(=O)OC)cn2)C1 ZINC000600699770 362036181 /nfs/dbraw/zinc/03/61/81/362036181.db2.gz CZCMEOLWMCLJOK-LLVKDONJSA-N 2 2 278.356 0.695 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3cc(O)ccc3Cl)CCN2C1=O ZINC000600710695 362042320 /nfs/dbraw/zinc/04/23/20/362042320.db2.gz QIWPYXMSWPRKTK-ZWNOBZJWSA-N 2 2 295.770 0.789 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3cc(O)ccc3Cl)CCN2C1=O ZINC000600710695 362042322 /nfs/dbraw/zinc/04/23/22/362042322.db2.gz QIWPYXMSWPRKTK-ZWNOBZJWSA-N 2 2 295.770 0.789 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CCCC[NH+]2C)[C@H](C)CO1 ZINC000617726099 365734640 /nfs/dbraw/zinc/73/46/40/365734640.db2.gz SIFTYIXIULAZKR-MGPQQGTHSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CCCC[NH+]2C)[C@H](C)CO1 ZINC000617726099 365734646 /nfs/dbraw/zinc/73/46/46/365734646.db2.gz SIFTYIXIULAZKR-MGPQQGTHSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CCCC[N@@H+]2C)[C@H](C)CO1 ZINC000617726099 365734652 /nfs/dbraw/zinc/73/46/52/365734652.db2.gz SIFTYIXIULAZKR-MGPQQGTHSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CCCC[N@H+]2C)[C@H](C)CO1 ZINC000617726099 365734655 /nfs/dbraw/zinc/73/46/55/365734655.db2.gz SIFTYIXIULAZKR-MGPQQGTHSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](C)CO1 ZINC000617726352 365735599 /nfs/dbraw/zinc/73/55/99/365735599.db2.gz VVDOZDTUCXZAFG-YJNKXOJESA-N 2 2 297.443 0.942 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](C)CO1 ZINC000617726352 365735604 /nfs/dbraw/zinc/73/56/04/365735604.db2.gz VVDOZDTUCXZAFG-YJNKXOJESA-N 2 2 297.443 0.942 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](C)CO1 ZINC000617726352 365735610 /nfs/dbraw/zinc/73/56/10/365735610.db2.gz VVDOZDTUCXZAFG-YJNKXOJESA-N 2 2 297.443 0.942 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H](C)CO1 ZINC000617726352 365735616 /nfs/dbraw/zinc/73/56/16/365735616.db2.gz VVDOZDTUCXZAFG-YJNKXOJESA-N 2 2 297.443 0.942 20 0 CCADLP COC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000262263272 536861856 /nfs/dbraw/zinc/86/18/56/536861856.db2.gz JOVKKQHOUYNSJC-NSHDSACASA-N 2 2 283.397 0.196 20 0 CCADLP COC[C@H]([NH3+])C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000262263272 536861860 /nfs/dbraw/zinc/86/18/60/536861860.db2.gz JOVKKQHOUYNSJC-NSHDSACASA-N 2 2 283.397 0.196 20 0 CCADLP CS[C@H]1CN(c2nc(C)[nH+]c(N)n2)C[C@@H]1[NH+]1CCCC1 ZINC000601145842 362158367 /nfs/dbraw/zinc/15/83/67/362158367.db2.gz SNZLEIAZXUZZNA-QWRGUYRKSA-N 2 2 294.428 0.609 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113515162 349815611 /nfs/dbraw/zinc/81/56/11/349815611.db2.gz FLOWFKTWCXILCG-AWEZNQCLSA-N 2 2 285.432 0.803 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113515162 349815617 /nfs/dbraw/zinc/81/56/17/349815617.db2.gz FLOWFKTWCXILCG-AWEZNQCLSA-N 2 2 285.432 0.803 20 0 CCADLP C[C@H](CC(=O)NCC[N@H+](C)CCC[NH+](C)C)n1cccn1 ZINC000617763694 365766574 /nfs/dbraw/zinc/76/65/74/365766574.db2.gz XTTLOQJSMXLEJM-CQSZACIVSA-N 2 2 295.431 0.834 20 0 CCADLP C[C@H](CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1cccn1 ZINC000617763694 365766578 /nfs/dbraw/zinc/76/65/78/365766578.db2.gz XTTLOQJSMXLEJM-CQSZACIVSA-N 2 2 295.431 0.834 20 0 CCADLP CO[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)C1CC1 ZINC000617763896 365766698 /nfs/dbraw/zinc/76/66/98/365766698.db2.gz AMAPUROYDIFGDT-ZDUSSCGKSA-N 2 2 271.405 0.411 20 0 CCADLP CO[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1CC1 ZINC000617763896 365766706 /nfs/dbraw/zinc/76/67/06/365766706.db2.gz AMAPUROYDIFGDT-ZDUSSCGKSA-N 2 2 271.405 0.411 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764941 365768361 /nfs/dbraw/zinc/76/83/61/365768361.db2.gz NCSKZDIICZDIIV-UHFFFAOYSA-N 3 2 295.431 0.352 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764941 365768366 /nfs/dbraw/zinc/76/83/66/365768366.db2.gz NCSKZDIICZDIIV-UHFFFAOYSA-N 3 2 295.431 0.352 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2CC[C@](O)(C(F)F)C2)n1C ZINC000425374288 529808135 /nfs/dbraw/zinc/80/81/35/529808135.db2.gz WRGNXNDVVPAWFB-GFCCVEGCSA-N 2 2 274.315 0.688 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2CC[C@](O)(C(F)F)C2)n1C ZINC000425374288 529808137 /nfs/dbraw/zinc/80/81/37/529808137.db2.gz WRGNXNDVVPAWFB-GFCCVEGCSA-N 2 2 274.315 0.688 20 0 CCADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC000425048966 529822742 /nfs/dbraw/zinc/82/27/42/529822742.db2.gz DEHKFCRBPYPMAL-KCQAQPDRSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC000425048966 529822743 /nfs/dbraw/zinc/82/27/43/529822743.db2.gz DEHKFCRBPYPMAL-KCQAQPDRSA-N 2 2 288.395 0.998 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000418519058 529911076 /nfs/dbraw/zinc/91/10/76/529911076.db2.gz NRNNPGMWRHAMQC-UHFFFAOYSA-N 2 2 298.431 0.350 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418590939 529911141 /nfs/dbraw/zinc/91/11/41/529911141.db2.gz UJAPGGQOLBYKKH-STQMWFEESA-N 2 2 284.404 0.230 20 0 CCADLP C[NH2+]CCCN(C)C(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000424020791 529964089 /nfs/dbraw/zinc/96/40/89/529964089.db2.gz PTCWFKJXFQRROA-CQSZACIVSA-N 2 2 283.416 0.555 20 0 CCADLP C[NH2+]CCCN(C)C(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000424020791 529964090 /nfs/dbraw/zinc/96/40/90/529964090.db2.gz PTCWFKJXFQRROA-CQSZACIVSA-N 2 2 283.416 0.555 20 0 CCADLP COC(=O)CC[N@H+](C[C@H]1CCCO1)CC12CC(C1)C[NH2+]2 ZINC000602017967 362459165 /nfs/dbraw/zinc/45/91/65/362459165.db2.gz VFLAASWXBIKDCQ-JVWICGRDSA-N 2 2 282.384 0.783 20 0 CCADLP COC(=O)CC[N@@H+](C[C@H]1CCCO1)CC12CC(C1)C[NH2+]2 ZINC000602017967 362459168 /nfs/dbraw/zinc/45/91/68/362459168.db2.gz VFLAASWXBIKDCQ-JVWICGRDSA-N 2 2 282.384 0.783 20 0 CCADLP C[N@@H+]1CCN(C(=O)/C=C\c2cscn2)[C@H](C[NH3+])C1 ZINC000493791907 530066139 /nfs/dbraw/zinc/06/61/39/530066139.db2.gz ZUUAXQFHTYZZPE-OTDNITJGSA-N 2 2 266.370 0.258 20 0 CCADLP C[N@H+]1CCN(C(=O)/C=C\c2cscn2)[C@H](C[NH3+])C1 ZINC000493791907 530066140 /nfs/dbraw/zinc/06/61/40/530066140.db2.gz ZUUAXQFHTYZZPE-OTDNITJGSA-N 2 2 266.370 0.258 20 0 CCADLP C[NH+]1CCC(CCO)(NC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492904513 530049169 /nfs/dbraw/zinc/04/91/69/530049169.db2.gz XDFWTTONNBRBSN-IHWYPQMZSA-N 2 2 278.356 0.386 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@H+](C2CC2)C2COC2)CC1 ZINC000451123115 530066709 /nfs/dbraw/zinc/06/67/09/530066709.db2.gz CDXVPSGJOFMNOE-UHFFFAOYSA-N 2 2 267.373 0.014 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@@H+](C2CC2)C2COC2)CC1 ZINC000451123115 530066710 /nfs/dbraw/zinc/06/67/10/530066710.db2.gz CDXVPSGJOFMNOE-UHFFFAOYSA-N 2 2 267.373 0.014 20 0 CCADLP C[C@H](C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)[NH+]1CCOCC1 ZINC000342718773 232035396 /nfs/dbraw/zinc/03/53/96/232035396.db2.gz GTZMLJCBDUZDKN-XJFOESAGSA-N 2 2 281.400 0.293 20 0 CCADLP Cn1cnc2cc(C[NH2+]C[C@]3(O)CC[N@H+](C)C3)ccc21 ZINC000358172610 232056361 /nfs/dbraw/zinc/05/63/61/232056361.db2.gz UEVQQAXUDCAXAE-OAHLLOKOSA-N 2 2 274.368 0.730 20 0 CCADLP Cn1cnc2cc(C[NH2+]C[C@]3(O)CC[N@@H+](C)C3)ccc21 ZINC000358172610 232056363 /nfs/dbraw/zinc/05/63/63/232056363.db2.gz UEVQQAXUDCAXAE-OAHLLOKOSA-N 2 2 274.368 0.730 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244704 412520672 /nfs/dbraw/zinc/52/06/72/412520672.db2.gz SNKJOUVXPXXICQ-UPJWGTAASA-N 2 2 294.399 0.577 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244704 412520675 /nfs/dbraw/zinc/52/06/75/412520675.db2.gz SNKJOUVXPXXICQ-UPJWGTAASA-N 2 2 294.399 0.577 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000602330008 362589628 /nfs/dbraw/zinc/58/96/28/362589628.db2.gz ANAAPJHGTRIWQW-DZGCQCFKSA-N 3 2 294.443 0.365 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000602330008 362589631 /nfs/dbraw/zinc/58/96/31/362589631.db2.gz ANAAPJHGTRIWQW-DZGCQCFKSA-N 3 2 294.443 0.365 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602330008 362589634 /nfs/dbraw/zinc/58/96/34/362589634.db2.gz ANAAPJHGTRIWQW-DZGCQCFKSA-N 3 2 294.443 0.365 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602330008 362589638 /nfs/dbraw/zinc/58/96/38/362589638.db2.gz ANAAPJHGTRIWQW-DZGCQCFKSA-N 3 2 294.443 0.365 20 0 CCADLP Cc1cc(CN2CC[NH+](CCn3cc[nH+]c3)CC2)no1 ZINC000119512091 349939864 /nfs/dbraw/zinc/93/98/64/349939864.db2.gz QCDLENOOGNWHOX-UHFFFAOYSA-N 2 2 275.356 0.997 20 0 CCADLP O=C1NCCCC[C@@H]1[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000120218252 349973963 /nfs/dbraw/zinc/97/39/63/349973963.db2.gz XXOYYCUGJKFFPT-CABCVRRESA-N 2 2 295.427 0.699 20 0 CCADLP Cc1nccc(C[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)n1 ZINC000339245360 215039052 /nfs/dbraw/zinc/03/90/52/215039052.db2.gz CUKNIBLMXFGWGN-HNNXBMFYSA-N 2 2 278.400 0.967 20 0 CCADLP CC[N@@H+]1CCO[C@H](c2nc(C3([NH3+])CCC3)no2)C1 ZINC000261690076 137015332 /nfs/dbraw/zinc/01/53/32/137015332.db2.gz HLDGVJYMGZSYCC-VIFPVBQESA-N 2 2 252.318 0.801 20 0 CCADLP CC[N@H+]1CCO[C@H](c2nc(C3([NH3+])CCC3)no2)C1 ZINC000261690076 137015333 /nfs/dbraw/zinc/01/53/33/137015333.db2.gz HLDGVJYMGZSYCC-VIFPVBQESA-N 2 2 252.318 0.801 20 0 CCADLP CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261682767 137015336 /nfs/dbraw/zinc/01/53/36/137015336.db2.gz MPMCMLLKWNDNEI-KGLIPLIRSA-N 2 2 296.459 0.659 20 0 CCADLP Cc1cc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)on1 ZINC000257713999 137005510 /nfs/dbraw/zinc/00/55/10/137005510.db2.gz OLOQUXQJROJPRA-LBPRGKRZSA-N 2 2 250.346 0.463 20 0 CCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261570205 137008687 /nfs/dbraw/zinc/00/86/87/137008687.db2.gz KEUFXKRQGHZSMQ-AVGNSLFASA-N 2 2 253.390 0.927 20 0 CCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261570205 137008688 /nfs/dbraw/zinc/00/86/88/137008688.db2.gz KEUFXKRQGHZSMQ-AVGNSLFASA-N 2 2 253.390 0.927 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261635277 137013068 /nfs/dbraw/zinc/01/30/68/137013068.db2.gz BSKBZIWXKBWODG-VXGBXAGGSA-N 2 2 282.388 0.010 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261635277 137013069 /nfs/dbraw/zinc/01/30/69/137013069.db2.gz BSKBZIWXKBWODG-VXGBXAGGSA-N 2 2 282.388 0.010 20 0 CCADLP C[C@H]([NH3+])CC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000262367819 137040926 /nfs/dbraw/zinc/04/09/26/137040926.db2.gz WHGHPOMYZAEFON-NWDGAFQWSA-N 2 2 264.373 0.939 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000262704298 137051317 /nfs/dbraw/zinc/05/13/17/137051317.db2.gz KWFZPHFZENLNNT-TZMCWYRMSA-N 2 2 270.421 0.256 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000535557182 290833455 /nfs/dbraw/zinc/83/34/55/290833455.db2.gz ISIGHZMJWFCBJB-CYBMUJFWSA-N 2 2 264.373 0.969 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263125122 137058832 /nfs/dbraw/zinc/05/88/32/137058832.db2.gz BEQUJZCLUMVLBS-QWRGUYRKSA-N 2 2 291.342 0.211 20 0 CCADLP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263125122 137058833 /nfs/dbraw/zinc/05/88/33/137058833.db2.gz BEQUJZCLUMVLBS-QWRGUYRKSA-N 2 2 291.342 0.211 20 0 CCADLP COc1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1O ZINC000261741862 137017789 /nfs/dbraw/zinc/01/77/89/137017789.db2.gz SGTVNOJTARGRJE-CQSZACIVSA-N 2 2 291.395 0.880 20 0 CCADLP CC1CCN(C(=O)C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000261770256 137019304 /nfs/dbraw/zinc/01/93/04/137019304.db2.gz VXUKZLNSRLOEJD-HNNXBMFYSA-N 2 2 294.443 0.224 20 0 CCADLP C[C@H]([NH3+])CC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000261847415 137022654 /nfs/dbraw/zinc/02/26/54/137022654.db2.gz OLDQELCBEIDFMJ-NWDGAFQWSA-N 2 2 292.383 0.660 20 0 CCADLP c1cn(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c[nH+]1 ZINC000261884103 137024446 /nfs/dbraw/zinc/02/44/46/137024446.db2.gz FSIRXVPQBQDCDZ-MJBXVCDLSA-N 3 2 264.373 0.630 20 0 CCADLP [NH3+]Cc1nc(CN2CC[NH+](C3CCC3)CC2)no1 ZINC000262213421 137031735 /nfs/dbraw/zinc/03/17/35/137031735.db2.gz LTYMBNLYWJMJRJ-UHFFFAOYSA-N 2 2 251.334 0.198 20 0 CCADLP C[C@H](O)C1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000311084941 137073922 /nfs/dbraw/zinc/07/39/22/137073922.db2.gz OJMNOHBLTDVNKC-FZMZJTMJSA-N 2 2 256.390 0.534 20 0 CCADLP C[C@H](O)C1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000311084941 137073923 /nfs/dbraw/zinc/07/39/23/137073923.db2.gz OJMNOHBLTDVNKC-FZMZJTMJSA-N 2 2 256.390 0.534 20 0 CCADLP [NH3+]CC[N@H+](CCO)CCCOc1ccc2c(c1)OCO2 ZINC000342406890 137092305 /nfs/dbraw/zinc/09/23/05/137092305.db2.gz AGIKDFDBCIXQBR-UHFFFAOYSA-N 2 2 282.340 0.437 20 0 CCADLP [NH3+]CC[N@@H+](CCO)CCCOc1ccc2c(c1)OCO2 ZINC000342406890 137092306 /nfs/dbraw/zinc/09/23/06/137092306.db2.gz AGIKDFDBCIXQBR-UHFFFAOYSA-N 2 2 282.340 0.437 20 0 CCADLP C[C@@H](C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC000343479330 137137379 /nfs/dbraw/zinc/13/73/79/137137379.db2.gz QRLIBHIBJFCORM-DZGCQCFKSA-N 2 2 281.400 0.309 20 0 CCADLP CC[N@H+](CCOC)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000343645305 137146967 /nfs/dbraw/zinc/14/69/67/137146967.db2.gz KBRGABMRLIXRKN-ZDUSSCGKSA-N 2 2 271.405 0.507 20 0 CCADLP CC[N@@H+](CCOC)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000343645305 137146968 /nfs/dbraw/zinc/14/69/68/137146968.db2.gz KBRGABMRLIXRKN-ZDUSSCGKSA-N 2 2 271.405 0.507 20 0 CCADLP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000343669815 137148015 /nfs/dbraw/zinc/14/80/15/137148015.db2.gz RHKYQPXDKBNVLP-OCCSQVGLSA-N 2 2 255.406 0.373 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343779255 137156783 /nfs/dbraw/zinc/15/67/83/137156783.db2.gz ZPEWLJBOVOKURY-YOGCLGLASA-N 2 2 273.336 0.565 20 0 CCADLP C[C@H]1CN(Cc2[nH]cc[nH+]2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343985442 137171319 /nfs/dbraw/zinc/17/13/19/137171319.db2.gz PNOXQPOGKAGICJ-UONOGXRCSA-N 2 2 277.416 0.868 20 0 CCADLP CCc1nnc(C[N@H+](C)CCCN(C)CC[NH+](C)C)o1 ZINC000344013903 137173139 /nfs/dbraw/zinc/17/31/39/137173139.db2.gz CXWXGPQRULYENM-UHFFFAOYSA-N 2 2 283.420 0.947 20 0 CCADLP CCc1nnc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)o1 ZINC000344013903 137173140 /nfs/dbraw/zinc/17/31/40/137173140.db2.gz CXWXGPQRULYENM-UHFFFAOYSA-N 2 2 283.420 0.947 20 0 CCADLP C[C@H](c1nnnn1C)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344028889 137174158 /nfs/dbraw/zinc/17/41/58/137174158.db2.gz ADIOVWQHCXOVCH-GFCCVEGCSA-N 2 2 283.424 0.086 20 0 CCADLP C[C@H](c1nnnn1C)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344028889 137174159 /nfs/dbraw/zinc/17/41/59/137174159.db2.gz ADIOVWQHCXOVCH-GFCCVEGCSA-N 2 2 283.424 0.086 20 0 CCADLP CO[C@@H]1[C@@H](C)[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000344029413 137174617 /nfs/dbraw/zinc/17/46/17/137174617.db2.gz XLIUWGVQZQSASQ-FPMFFAJLSA-N 2 2 283.416 0.410 20 0 CCADLP O=C1C[C@]2(CN1)CCC[N@H+](CCCn1cc[nH+]c1)C2 ZINC000343306556 137126516 /nfs/dbraw/zinc/12/65/16/137126516.db2.gz VQHNZMZUEKYKTK-AWEZNQCLSA-N 2 2 262.357 0.875 20 0 CCADLP O=C1C[C@]2(CN1)CCC[N@@H+](CCCn1cc[nH+]c1)C2 ZINC000343306556 137126517 /nfs/dbraw/zinc/12/65/17/137126517.db2.gz VQHNZMZUEKYKTK-AWEZNQCLSA-N 2 2 262.357 0.875 20 0 CCADLP CNC(=O)CCOC1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000343312343 137127331 /nfs/dbraw/zinc/12/73/31/137127331.db2.gz AQWSNYGPIXFGCT-UHFFFAOYSA-N 2 2 294.399 0.890 20 0 CCADLP O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)[C@@H]1CCC[NH+]1C1CC1 ZINC000343327725 137128569 /nfs/dbraw/zinc/12/85/69/137128569.db2.gz BJWCTJZLHHCCLK-GJZGRUSLSA-N 2 2 293.411 0.593 20 0 CCADLP O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)[C@@H]1CCC[NH+]1C1CC1 ZINC000343327725 137128570 /nfs/dbraw/zinc/12/85/70/137128570.db2.gz BJWCTJZLHHCCLK-GJZGRUSLSA-N 2 2 293.411 0.593 20 0 CCADLP O=C(NC[C@H]1C[NH+](C2CC2)CCO1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000343327725 137128571 /nfs/dbraw/zinc/12/85/71/137128571.db2.gz BJWCTJZLHHCCLK-GJZGRUSLSA-N 2 2 293.411 0.593 20 0 CCADLP O=C(NC[C@H]1C[NH+](C2CC2)CCO1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000343327725 137128572 /nfs/dbraw/zinc/12/85/72/137128572.db2.gz BJWCTJZLHHCCLK-GJZGRUSLSA-N 2 2 293.411 0.593 20 0 CCADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CCN(C(N)=O)CC1 ZINC000343417904 137133153 /nfs/dbraw/zinc/13/31/53/137133153.db2.gz FRUUUOWBMYORSO-GFCCVEGCSA-N 2 2 268.405 0.994 20 0 CCADLP C[C@@H]1CCCC[N@H+]1CC[NH2+]C1CCN(C(N)=O)CC1 ZINC000343417904 137133154 /nfs/dbraw/zinc/13/31/54/137133154.db2.gz FRUUUOWBMYORSO-GFCCVEGCSA-N 2 2 268.405 0.994 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccnc(N(C)C)n1 ZINC000344327422 137188916 /nfs/dbraw/zinc/18/89/16/137188916.db2.gz LUMGGVRKUJDTDK-YPMHNXCESA-N 2 2 263.389 0.972 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccnc(N(C)C)n1 ZINC000344327422 137188917 /nfs/dbraw/zinc/18/89/17/137188917.db2.gz LUMGGVRKUJDTDK-YPMHNXCESA-N 2 2 263.389 0.972 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000013694320 348029345 /nfs/dbraw/zinc/02/93/45/348029345.db2.gz DFXLUMZZHBLICW-UHFFFAOYSA-N 2 2 291.399 0.555 20 0 CCADLP CC(C)NC(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000013694387 348029591 /nfs/dbraw/zinc/02/95/91/348029591.db2.gz UVHBVFWSKOAMCE-UHFFFAOYSA-N 2 2 265.361 0.067 20 0 CCADLP [NH3+][C@H](CC(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000019431860 348062256 /nfs/dbraw/zinc/06/22/56/348062256.db2.gz DLXZQTWYZRMBCX-CQSZACIVSA-N 2 2 277.368 0.525 20 0 CCADLP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000037008733 348178757 /nfs/dbraw/zinc/17/87/57/348178757.db2.gz LTUGFVXRXUXOCM-NWDGAFQWSA-N 2 2 257.378 0.197 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000037008699 348178872 /nfs/dbraw/zinc/17/88/72/348178872.db2.gz VZQPNFCSORWBFP-GXTWGEPZSA-N 2 2 277.368 0.523 20 0 CCADLP CC(C)([NH3+])C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000040921339 348245030 /nfs/dbraw/zinc/24/50/30/348245030.db2.gz QHYMHCSBYALEDW-UHFFFAOYSA-N 2 2 262.357 0.904 20 0 CCADLP CC[C@H](C(=O)N=c1ccn(CC[NH+](C)C)[nH]1)[NH+](CC)CC ZINC000346019703 137264763 /nfs/dbraw/zinc/26/47/63/137264763.db2.gz WDXHICAWSRQYQW-CYBMUJFWSA-N 2 2 295.431 0.926 20 0 CCADLP [NH3+][C@H](CC(F)F)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000345704603 137246952 /nfs/dbraw/zinc/24/69/52/137246952.db2.gz FCRSUTHQIPOTQF-WDEREUQCSA-N 2 2 291.342 0.292 20 0 CCADLP [NH3+][C@@H](CC(F)F)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000345718869 137247977 /nfs/dbraw/zinc/24/79/77/137247977.db2.gz KMIIVXNVLGJWOY-VIFPVBQESA-N 2 2 268.267 0.933 20 0 CCADLP [NH3+][C@H]1CCC[C@@H](C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000346295956 137277693 /nfs/dbraw/zinc/27/76/93/137277693.db2.gz UJLGSOQHNNLFNV-OLZOCXBDSA-N 2 2 291.399 0.571 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000043304181 348307243 /nfs/dbraw/zinc/30/72/43/348307243.db2.gz HTEONMZYEMULJU-HZSPNIEDSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000043304181 348307245 /nfs/dbraw/zinc/30/72/45/348307245.db2.gz HTEONMZYEMULJU-HZSPNIEDSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@@H](CO)[N@@H+]1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000346660638 137297291 /nfs/dbraw/zinc/29/72/91/137297291.db2.gz VTCLKDARCVAKKJ-LBPRGKRZSA-N 2 2 252.362 0.309 20 0 CCADLP C[C@@H](CO)[N@H+]1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000346660638 137297292 /nfs/dbraw/zinc/29/72/92/137297292.db2.gz VTCLKDARCVAKKJ-LBPRGKRZSA-N 2 2 252.362 0.309 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2cccnc2)CC1 ZINC000346981393 137314259 /nfs/dbraw/zinc/31/42/59/137314259.db2.gz LMZOYIHBIZOLTD-HNNXBMFYSA-N 2 2 288.395 0.993 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2c2cccnc2)CC1 ZINC000346981393 137314260 /nfs/dbraw/zinc/31/42/60/137314260.db2.gz LMZOYIHBIZOLTD-HNNXBMFYSA-N 2 2 288.395 0.993 20 0 CCADLP CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346984093 137314292 /nfs/dbraw/zinc/31/42/92/137314292.db2.gz OGQVMMWHHZGGDO-CHWSQXEVSA-N 2 2 289.445 0.388 20 0 CCADLP CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000346984093 137314293 /nfs/dbraw/zinc/31/42/93/137314293.db2.gz OGQVMMWHHZGGDO-CHWSQXEVSA-N 2 2 289.445 0.388 20 0 CCADLP c1cc(CN2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)no1 ZINC000347007397 137315169 /nfs/dbraw/zinc/31/51/69/137315169.db2.gz QGKRVTYEDFUUIH-CYBMUJFWSA-N 2 2 264.373 0.792 20 0 CCADLP Cn1ccnc1CN1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346832539 137306978 /nfs/dbraw/zinc/30/69/78/137306978.db2.gz QXWDLUTWKLBQDY-CQSZACIVSA-N 2 2 277.416 0.537 20 0 CCADLP CO[C@H]1CC[N@H+](Cc2ccc3c(c2)nnn3C)[C@@H](C[NH3+])C1 ZINC000346840800 137307538 /nfs/dbraw/zinc/30/75/38/137307538.db2.gz USMUVRBUMWTDSX-OLZOCXBDSA-N 2 2 289.383 0.906 20 0 CCADLP CO[C@H]1CC[N@@H+](Cc2ccc3c(c2)nnn3C)[C@@H](C[NH3+])C1 ZINC000346840800 137307539 /nfs/dbraw/zinc/30/75/39/137307539.db2.gz USMUVRBUMWTDSX-OLZOCXBDSA-N 2 2 289.383 0.906 20 0 CCADLP CCOc1cccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)n1 ZINC000347156983 137322968 /nfs/dbraw/zinc/32/29/68/137322968.db2.gz DVBSJPUGARUWSF-UHFFFAOYSA-N 2 2 292.383 0.344 20 0 CCADLP CCOc1cccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)n1 ZINC000347156983 137322969 /nfs/dbraw/zinc/32/29/69/137322969.db2.gz DVBSJPUGARUWSF-UHFFFAOYSA-N 2 2 292.383 0.344 20 0 CCADLP CCc1ncc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)s1 ZINC000347183370 137324024 /nfs/dbraw/zinc/32/40/24/137324024.db2.gz WTNCQFXPTHCWPP-UHFFFAOYSA-N 2 2 282.413 0.569 20 0 CCADLP CCc1ncc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)s1 ZINC000347183370 137324025 /nfs/dbraw/zinc/32/40/25/137324025.db2.gz WTNCQFXPTHCWPP-UHFFFAOYSA-N 2 2 282.413 0.569 20 0 CCADLP COCC[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000347336180 137332075 /nfs/dbraw/zinc/33/20/75/137332075.db2.gz ACYGHFXDJXSFBB-NWDGAFQWSA-N 2 2 257.378 0.341 20 0 CCADLP COCC[C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000347336180 137332076 /nfs/dbraw/zinc/33/20/76/137332076.db2.gz ACYGHFXDJXSFBB-NWDGAFQWSA-N 2 2 257.378 0.341 20 0 CCADLP CC(C)OCC[C@H](O)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000349220775 137390382 /nfs/dbraw/zinc/39/03/82/137390382.db2.gz YGZIUCZDKMMUQY-AWEZNQCLSA-N 2 2 296.415 0.703 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000349358979 137392643 /nfs/dbraw/zinc/39/26/43/137392643.db2.gz XZJDIFUXPKZQAW-ARFHVFGLSA-N 3 2 282.476 0.942 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000349358979 137392644 /nfs/dbraw/zinc/39/26/44/137392644.db2.gz XZJDIFUXPKZQAW-ARFHVFGLSA-N 3 2 282.476 0.942 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCCN2CC[NH+](CC)CC2)C1 ZINC000347717047 137352216 /nfs/dbraw/zinc/35/22/16/137352216.db2.gz IZUSQXGOKBKRLG-HZPDHXFCSA-N 3 2 282.476 0.944 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCCN2CC[NH+](CC)CC2)C1 ZINC000347717047 137352217 /nfs/dbraw/zinc/35/22/17/137352217.db2.gz IZUSQXGOKBKRLG-HZPDHXFCSA-N 3 2 282.476 0.944 20 0 CCADLP Cc1ccn2cc(CNC(=O)CCOC3C[NH2+]C3)[nH+]c2c1 ZINC000348988697 137382982 /nfs/dbraw/zinc/38/29/82/137382982.db2.gz BSXXSKNFAFDSCY-UHFFFAOYSA-N 2 2 288.351 0.637 20 0 CCADLP C[C@@H](C[NH3+])C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000054340611 348552434 /nfs/dbraw/zinc/55/24/34/348552434.db2.gz VQMDYBWKQRFBSK-LBPRGKRZSA-N 2 2 262.357 0.321 20 0 CCADLP CC(C)CCOCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000056493522 348591389 /nfs/dbraw/zinc/59/13/89/348591389.db2.gz ULEVCLBTQHYUDM-UHFFFAOYSA-N 2 2 285.432 0.755 20 0 CCADLP Cc1noc(C)c1C[NH+]1CCN(CCOCC[NH3+])CC1 ZINC000057794865 348616002 /nfs/dbraw/zinc/61/60/02/348616002.db2.gz MOAKGXFIQWEFRV-UHFFFAOYSA-N 2 2 282.388 0.384 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](CO)c2ccccc2)CC1 ZINC000063003110 348674981 /nfs/dbraw/zinc/67/49/81/348674981.db2.gz HEJXVARQNKBAOS-AWEZNQCLSA-N 2 2 277.368 0.084 20 0 CCADLP CC(C)c1nc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)no1 ZINC000063180056 348681354 /nfs/dbraw/zinc/68/13/54/348681354.db2.gz ABWWZCZOADGKJJ-NSHDSACASA-N 2 2 295.387 0.480 20 0 CCADLP CC(C)c1nc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)no1 ZINC000063180056 348681358 /nfs/dbraw/zinc/68/13/58/348681358.db2.gz ABWWZCZOADGKJJ-NSHDSACASA-N 2 2 295.387 0.480 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CCCOC)CC1 ZINC000066865483 348757986 /nfs/dbraw/zinc/75/79/86/348757986.db2.gz RTDJZFQVMKTQPE-CYBMUJFWSA-N 2 2 271.405 0.507 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CCCOC)CC1 ZINC000066865483 348757988 /nfs/dbraw/zinc/75/79/88/348757988.db2.gz RTDJZFQVMKTQPE-CYBMUJFWSA-N 2 2 271.405 0.507 20 0 CCADLP CC[N@H+](C)CCNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000067002644 348765665 /nfs/dbraw/zinc/76/56/65/348765665.db2.gz MQOFVJCRAKSCBB-UHFFFAOYSA-N 2 2 279.388 0.899 20 0 CCADLP CC[N@@H+](C)CCNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000067002644 348765666 /nfs/dbraw/zinc/76/56/66/348765666.db2.gz MQOFVJCRAKSCBB-UHFFFAOYSA-N 2 2 279.388 0.899 20 0 CCADLP CN1CC[N@H+](C)[C@H](CNC(=O)CCC2CC[NH2+]CC2)C1 ZINC000068807363 348822064 /nfs/dbraw/zinc/82/20/64/348822064.db2.gz NXJGSNDAPLHTRQ-CQSZACIVSA-N 2 2 282.432 0.128 20 0 CCADLP CN1CC[N@@H+](C)[C@H](CNC(=O)CCC2CC[NH2+]CC2)C1 ZINC000068807363 348822068 /nfs/dbraw/zinc/82/20/68/348822068.db2.gz NXJGSNDAPLHTRQ-CQSZACIVSA-N 2 2 282.432 0.128 20 0 CCADLP C[C@@H]1CCCC[N@@H+]1CCNC(=O)Cn1cc[nH+]c1 ZINC000072956214 348938647 /nfs/dbraw/zinc/93/86/47/348938647.db2.gz KACCJPJCRDLPKY-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP C[C@@H]1CCCC[N@H+]1CCNC(=O)Cn1cc[nH+]c1 ZINC000072956214 348938652 /nfs/dbraw/zinc/93/86/52/348938652.db2.gz KACCJPJCRDLPKY-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351501342 137429024 /nfs/dbraw/zinc/42/90/24/137429024.db2.gz XUHDBHSHSIXLGY-WRWGMCAJSA-N 2 2 275.356 0.473 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351501342 137429025 /nfs/dbraw/zinc/42/90/25/137429025.db2.gz XUHDBHSHSIXLGY-WRWGMCAJSA-N 2 2 275.356 0.473 20 0 CCADLP CC(C)(CNC(=O)[C@@]1(C)CCC[NH2+]1)[NH+]1CCOCC1 ZINC000079519467 349182603 /nfs/dbraw/zinc/18/26/03/349182603.db2.gz NBTGSRJHWXKWON-CQSZACIVSA-N 2 2 269.389 0.356 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000080909277 349233642 /nfs/dbraw/zinc/23/36/42/349233642.db2.gz LIKUSWKYXITAJX-AWEZNQCLSA-N 2 2 292.383 0.596 20 0 CCADLP C[C@@H]1C[N@H+](CCN2C[C@@H](C)[NH+](C)[C@H](C)C2)CCO1 ZINC000339627083 215275825 /nfs/dbraw/zinc/27/58/25/215275825.db2.gz DYPDDIOXBABFBO-MGPQQGTHSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2C[C@@H](C)[NH+](C)[C@H](C)C2)CCO1 ZINC000339627083 215275826 /nfs/dbraw/zinc/27/58/26/215275826.db2.gz DYPDDIOXBABFBO-MGPQQGTHSA-N 2 2 255.406 0.732 20 0 CCADLP O[C@@H](CN1CCC([NH+]2CCCC2)CC1)C[NH+]1CCOCC1 ZINC000079881622 349193381 /nfs/dbraw/zinc/19/33/81/349193381.db2.gz HUTYWHXEOCTCPY-INIZCTEOSA-N 2 2 297.443 0.240 20 0 CCADLP O[C@H](CN1CCOCC1)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000079881622 349193384 /nfs/dbraw/zinc/19/33/84/349193384.db2.gz HUTYWHXEOCTCPY-INIZCTEOSA-N 2 2 297.443 0.240 20 0 CCADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)NC2CC2)C1 ZINC000081633256 349278946 /nfs/dbraw/zinc/27/89/46/349278946.db2.gz WRGDFPCCWZEAGX-ZDUSSCGKSA-N 2 2 265.401 0.929 20 0 CCADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)NC2CC2)C1 ZINC000081633256 349278952 /nfs/dbraw/zinc/27/89/52/349278952.db2.gz WRGDFPCCWZEAGX-ZDUSSCGKSA-N 2 2 265.401 0.929 20 0 CCADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC000081633256 349278956 /nfs/dbraw/zinc/27/89/56/349278956.db2.gz WRGDFPCCWZEAGX-ZDUSSCGKSA-N 2 2 265.401 0.929 20 0 CCADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC000081633256 349278963 /nfs/dbraw/zinc/27/89/63/349278963.db2.gz WRGDFPCCWZEAGX-ZDUSSCGKSA-N 2 2 265.401 0.929 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000087524472 349351457 /nfs/dbraw/zinc/35/14/57/349351457.db2.gz VYJFKJXNKKQVKO-HNNXBMFYSA-N 2 2 290.411 0.957 20 0 CCADLP O=C(NCc1c[nH+]c[nH]1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000088751129 349370830 /nfs/dbraw/zinc/37/08/30/349370830.db2.gz HSWOCXNLWHNDOI-ZDUSSCGKSA-N 2 2 256.309 0.913 20 0 CCADLP O=C(NCc1c[nH]c[nH+]1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000088751129 349370832 /nfs/dbraw/zinc/37/08/32/349370832.db2.gz HSWOCXNLWHNDOI-ZDUSSCGKSA-N 2 2 256.309 0.913 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000089977467 349417951 /nfs/dbraw/zinc/41/79/51/349417951.db2.gz KBZXOGPYWPZECZ-SNVBAGLBSA-N 2 2 270.377 0.295 20 0 CCADLP C[C@H](O)C[C@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000123778127 350083131 /nfs/dbraw/zinc/08/31/31/350083131.db2.gz VOAQEBIKSICSJN-UONOGXRCSA-N 2 2 283.416 0.386 20 0 CCADLP C[C@H](O)C[C@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000123778127 350083133 /nfs/dbraw/zinc/08/31/33/350083133.db2.gz VOAQEBIKSICSJN-UONOGXRCSA-N 2 2 283.416 0.386 20 0 CCADLP CCNC(=O)N1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000124760116 350106520 /nfs/dbraw/zinc/10/65/20/350106520.db2.gz URBURSOLWHQBPL-CYBMUJFWSA-N 2 2 268.405 0.818 20 0 CCADLP CCNC(=O)N1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000124760116 350106523 /nfs/dbraw/zinc/10/65/23/350106523.db2.gz URBURSOLWHQBPL-CYBMUJFWSA-N 2 2 268.405 0.818 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cnccn1 ZINC000128050677 350183499 /nfs/dbraw/zinc/18/34/99/350183499.db2.gz USGBDTXOUXJUAD-OLZOCXBDSA-N 2 2 291.399 0.715 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cnccn1 ZINC000128050677 350183501 /nfs/dbraw/zinc/18/35/01/350183501.db2.gz USGBDTXOUXJUAD-OLZOCXBDSA-N 2 2 291.399 0.715 20 0 CCADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCn1nc2ccccn2c1=O ZINC000129076764 350204688 /nfs/dbraw/zinc/20/46/88/350204688.db2.gz VYVKPZTWANAMKR-RYUDHWBXSA-N 2 2 275.356 0.308 20 0 CCADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCn1nc2ccccn2c1=O ZINC000129076764 350204691 /nfs/dbraw/zinc/20/46/91/350204691.db2.gz VYVKPZTWANAMKR-RYUDHWBXSA-N 2 2 275.356 0.308 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)C2(O)CCCCC2)CC1 ZINC000129168241 350207312 /nfs/dbraw/zinc/20/73/12/350207312.db2.gz QUPLIGLYVRWJLQ-UHFFFAOYSA-N 2 2 297.443 0.824 20 0 CCADLP C[NH2+]CCC[N@H+](C)CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000129784565 350223040 /nfs/dbraw/zinc/22/30/40/350223040.db2.gz UTKVJSFODPWGIC-VXGBXAGGSA-N 2 2 257.378 0.164 20 0 CCADLP C[NH2+]CCC[N@@H+](C)CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000129784565 350223041 /nfs/dbraw/zinc/22/30/41/350223041.db2.gz UTKVJSFODPWGIC-VXGBXAGGSA-N 2 2 257.378 0.164 20 0 CCADLP CC(C)(CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000091545986 180186851 /nfs/dbraw/zinc/18/68/51/180186851.db2.gz HKLPNVBSYVGCPN-NWDGAFQWSA-N 2 2 269.389 0.341 20 0 CCADLP CC(C)(CNC(=O)[C@H]1CC[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000091545984 180187128 /nfs/dbraw/zinc/18/71/28/180187128.db2.gz HKLPNVBSYVGCPN-RYUDHWBXSA-N 2 2 269.389 0.341 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+](CC(N)=O)C(C)(C)C)CC1 ZINC000131164228 350264910 /nfs/dbraw/zinc/26/49/10/350264910.db2.gz XKYLEPOKSQZDKP-UHFFFAOYSA-N 2 2 298.431 0.173 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+](CC(N)=O)C(C)(C)C)CC1 ZINC000131164228 350264912 /nfs/dbraw/zinc/26/49/12/350264912.db2.gz XKYLEPOKSQZDKP-UHFFFAOYSA-N 2 2 298.431 0.173 20 0 CCADLP COCC(=O)N1CCC([NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000131224189 350268479 /nfs/dbraw/zinc/26/84/79/350268479.db2.gz DDZRDQWWUBRMKJ-OCCSQVGLSA-N 2 2 295.427 0.839 20 0 CCADLP COCC(=O)N1CCC([NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000131224189 350268481 /nfs/dbraw/zinc/26/84/81/350268481.db2.gz DDZRDQWWUBRMKJ-OCCSQVGLSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H](CNC(=O)CCCn1cc[nH+]c1)C[NH+]1CCOCC1 ZINC000133946004 350349864 /nfs/dbraw/zinc/34/98/64/350349864.db2.gz CDYYMGQXLKCSRC-AWEZNQCLSA-N 2 2 294.399 0.748 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(CO)CCCC1 ZINC000134149586 350355709 /nfs/dbraw/zinc/35/57/09/350355709.db2.gz PKQJMKZQLRXVCS-CHWSQXEVSA-N 2 2 256.390 0.896 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000157183107 350640507 /nfs/dbraw/zinc/64/05/07/350640507.db2.gz BINYDAWHUFXAMD-GRYCIOLGSA-N 2 2 284.404 0.635 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000157183107 350640509 /nfs/dbraw/zinc/64/05/09/350640509.db2.gz BINYDAWHUFXAMD-GRYCIOLGSA-N 2 2 284.404 0.635 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000157183107 350640511 /nfs/dbraw/zinc/64/05/11/350640511.db2.gz BINYDAWHUFXAMD-GRYCIOLGSA-N 2 2 284.404 0.635 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000157183107 350640515 /nfs/dbraw/zinc/64/05/15/350640515.db2.gz BINYDAWHUFXAMD-GRYCIOLGSA-N 2 2 284.404 0.635 20 0 CCADLP CCNC(=O)CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000163010432 350758498 /nfs/dbraw/zinc/75/84/98/350758498.db2.gz DXRLYXVWMXGYML-UHFFFAOYSA-N 2 2 297.322 0.759 20 0 CCADLP CCSCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000162186778 350738601 /nfs/dbraw/zinc/73/86/01/350738601.db2.gz MMDWAXDQDOQHJK-ZDUSSCGKSA-N 2 2 285.457 0.978 20 0 CCADLP CC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000163528131 350767896 /nfs/dbraw/zinc/76/78/96/350767896.db2.gz NMZMSZDPFVNRHU-GJZGRUSLSA-N 2 2 291.395 0.741 20 0 CCADLP CC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000163528131 350767898 /nfs/dbraw/zinc/76/78/98/350767898.db2.gz NMZMSZDPFVNRHU-GJZGRUSLSA-N 2 2 291.395 0.741 20 0 CCADLP CC(C)NC(=O)C[NH+]1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000163663233 350770297 /nfs/dbraw/zinc/77/02/97/350770297.db2.gz WFZFPXRYKNBSSK-HNNXBMFYSA-N 2 2 296.459 0.613 20 0 CCADLP CC(C)NC(=O)C[NH+]1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000163663233 350770300 /nfs/dbraw/zinc/77/03/00/350770300.db2.gz WFZFPXRYKNBSSK-HNNXBMFYSA-N 2 2 296.459 0.613 20 0 CCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)[C@@H]1CSC[NH2+]1 ZINC000165940159 350794323 /nfs/dbraw/zinc/79/43/23/350794323.db2.gz WZDPHFTUCTYIHE-NSHDSACASA-N 2 2 297.449 0.885 20 0 CCADLP O=C(NCC[N@H+]1CCc2sccc2C1)[C@@H]1CSC[NH2+]1 ZINC000165940159 350794327 /nfs/dbraw/zinc/79/43/27/350794327.db2.gz WZDPHFTUCTYIHE-NSHDSACASA-N 2 2 297.449 0.885 20 0 CCADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)N1CCNC1=O ZINC000111243113 186374061 /nfs/dbraw/zinc/37/40/61/186374061.db2.gz NOWMLFQUSOBLDA-UHFFFAOYSA-N 2 2 277.328 0.072 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111243496 186374226 /nfs/dbraw/zinc/37/42/26/186374226.db2.gz SNPUMZKRHYGRBG-NSHDSACASA-N 2 2 294.355 0.198 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000111268112 186382716 /nfs/dbraw/zinc/38/27/16/186382716.db2.gz DSIONLZNGVJLCO-UKRRQHHQSA-N 2 2 288.395 0.581 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(COC)CC2)CC1 ZINC000171831858 350936457 /nfs/dbraw/zinc/93/64/57/350936457.db2.gz MQCZWUOPDFZVQY-AWEZNQCLSA-N 2 2 297.443 0.897 20 0 CCADLP CN(CC[NH+](C)C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000176319380 351169241 /nfs/dbraw/zinc/16/92/41/351169241.db2.gz NPCITLPAKVMHNC-UHFFFAOYSA-N 2 2 286.420 0.300 20 0 CCADLP CN(CC[NH+](C)C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000176319380 351169242 /nfs/dbraw/zinc/16/92/42/351169242.db2.gz NPCITLPAKVMHNC-UHFFFAOYSA-N 2 2 286.420 0.300 20 0 CCADLP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)N(C)C(C)C)CC1 ZINC000177461865 351204864 /nfs/dbraw/zinc/20/48/64/351204864.db2.gz MBZJZNWYDQPTCK-CYBMUJFWSA-N 2 2 285.432 0.942 20 0 CCADLP C[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000177909094 351216462 /nfs/dbraw/zinc/21/64/62/351216462.db2.gz JMOSTJYWAZYBRJ-UONOGXRCSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000177909094 351216463 /nfs/dbraw/zinc/21/64/63/351216463.db2.gz JMOSTJYWAZYBRJ-UONOGXRCSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1CC[NH+](CC(C)(C)O)CC1 ZINC000180477377 351287012 /nfs/dbraw/zinc/28/70/12/351287012.db2.gz UHWKWERSYZUTHM-CQSZACIVSA-N 2 2 285.432 0.096 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCC3(CC3)C2)CC1 ZINC000186980073 351524015 /nfs/dbraw/zinc/52/40/15/351524015.db2.gz KERFEOVLEBGIGG-UHFFFAOYSA-N 2 2 251.374 0.636 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCC3(CC3)C2)CC1 ZINC000186980073 351524023 /nfs/dbraw/zinc/52/40/23/351524023.db2.gz KERFEOVLEBGIGG-UHFFFAOYSA-N 2 2 251.374 0.636 20 0 CCADLP Cc1cccn2cc(CNC(=O)[C@H]3C[C@H](F)C[NH2+]3)[nH+]c12 ZINC000188765527 351625966 /nfs/dbraw/zinc/62/59/66/351625966.db2.gz VHXJWRSOXYEPMH-CMPLNLGQSA-N 2 2 276.315 0.959 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000291877500 198092416 /nfs/dbraw/zinc/09/24/16/198092416.db2.gz OBVMGSLLCUCQQS-AWEZNQCLSA-N 2 2 277.372 0.657 20 0 CCADLP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CC(N)=O)C1 ZINC000195259210 351905797 /nfs/dbraw/zinc/90/57/97/351905797.db2.gz HICKKQHJBCQNBK-LLVKDONJSA-N 2 2 282.413 0.691 20 0 CCADLP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CC(N)=O)C1 ZINC000195259210 351905800 /nfs/dbraw/zinc/90/58/00/351905800.db2.gz HICKKQHJBCQNBK-LLVKDONJSA-N 2 2 282.413 0.691 20 0 CCADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CC(N)=O)C1 ZINC000195259210 351905803 /nfs/dbraw/zinc/90/58/03/351905803.db2.gz HICKKQHJBCQNBK-LLVKDONJSA-N 2 2 282.413 0.691 20 0 CCADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC000195259210 351905805 /nfs/dbraw/zinc/90/58/05/351905805.db2.gz HICKKQHJBCQNBK-LLVKDONJSA-N 2 2 282.413 0.691 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000416432050 233835821 /nfs/dbraw/zinc/83/58/21/233835821.db2.gz JCQAVOQBBBLGBZ-QWHCGFSZSA-N 2 2 279.388 0.961 20 0 CCADLP CC[C@H]([NH3+])C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000236931155 352228765 /nfs/dbraw/zinc/22/87/65/352228765.db2.gz BDEGRNXQGIMKIZ-GJZGRUSLSA-N 2 2 291.395 0.913 20 0 CCADLP [NH3+]CC1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CCCC1 ZINC000655415386 412562863 /nfs/dbraw/zinc/56/28/63/412562863.db2.gz LZJKWAXQHOKRPR-NSHDSACASA-N 2 2 262.357 0.833 20 0 CCADLP O=C(NCC[C@@H]1CC[NH2+]C1)[C@H]1CCc2[nH+]ccn2C1 ZINC000655414855 412563258 /nfs/dbraw/zinc/56/32/58/412563258.db2.gz VMIONAGDZNYCJP-RYUDHWBXSA-N 2 2 262.357 0.561 20 0 CCADLP O=C(C[NH2+]C1CC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000238155591 352300726 /nfs/dbraw/zinc/30/07/26/352300726.db2.gz CIAQMRVRLZEYSC-ZDUSSCGKSA-N 2 2 267.373 0.062 20 0 CCADLP c1cn(CC[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c[nH+]1 ZINC000245579952 352329543 /nfs/dbraw/zinc/32/95/43/352329543.db2.gz CBEUFFLFOFTDGF-CHWSQXEVSA-N 2 2 251.330 0.763 20 0 CCADLP c1cn(CC[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c[nH+]1 ZINC000245579952 352329544 /nfs/dbraw/zinc/32/95/44/352329544.db2.gz CBEUFFLFOFTDGF-CHWSQXEVSA-N 2 2 251.330 0.763 20 0 CCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246214937 352355217 /nfs/dbraw/zinc/35/52/17/352355217.db2.gz ATOKWUQOECIKEX-STQMWFEESA-N 2 2 269.389 0.117 20 0 CCADLP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246214937 352355221 /nfs/dbraw/zinc/35/52/21/352355221.db2.gz ATOKWUQOECIKEX-STQMWFEESA-N 2 2 269.389 0.117 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000246055195 352346760 /nfs/dbraw/zinc/34/67/60/352346760.db2.gz FGYXJUYZFYKBOR-ZIAGYGMSSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000246055195 352346762 /nfs/dbraw/zinc/34/67/62/352346762.db2.gz FGYXJUYZFYKBOR-ZIAGYGMSSA-N 2 2 281.400 0.404 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)NCC2([NH3+])CCCCC2)c1 ZINC000418282486 234051446 /nfs/dbraw/zinc/05/14/46/234051446.db2.gz PVFUYSVPVPJXRZ-UHFFFAOYSA-N 2 2 279.388 0.923 20 0 CCADLP O=C1OCC[C@@H]1CC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246364177 352363848 /nfs/dbraw/zinc/36/38/48/352363848.db2.gz HHNWRLSONPFFKZ-CABCVRRESA-N 2 2 296.411 0.984 20 0 CCADLP O=C1OCC[C@@H]1CC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246364177 352363851 /nfs/dbraw/zinc/36/38/51/352363851.db2.gz HHNWRLSONPFFKZ-CABCVRRESA-N 2 2 296.411 0.984 20 0 CCADLP C[C@H](CCS(C)(=O)=O)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247037237 352395250 /nfs/dbraw/zinc/39/52/50/352395250.db2.gz LOCMLJVAUQHJBN-UTUOFQBUSA-N 2 2 262.419 0.882 20 0 CCADLP C[C@H](CCS(C)(=O)=O)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000247037237 352395252 /nfs/dbraw/zinc/39/52/52/352395252.db2.gz LOCMLJVAUQHJBN-UTUOFQBUSA-N 2 2 262.419 0.882 20 0 CCADLP CNC(=O)NC(=O)CC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247788358 352425288 /nfs/dbraw/zinc/42/52/88/352425288.db2.gz YUKVVCFDNXCTMI-NWDGAFQWSA-N 2 2 293.371 0.612 20 0 CCADLP CNC(=O)NC(=O)CC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247788358 352425294 /nfs/dbraw/zinc/42/52/94/352425294.db2.gz YUKVVCFDNXCTMI-NWDGAFQWSA-N 2 2 293.371 0.612 20 0 CCADLP COCCCNC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000247965278 352428296 /nfs/dbraw/zinc/42/82/96/352428296.db2.gz GRMRYAGSGVHPFC-ZIAGYGMSSA-N 2 2 283.416 0.555 20 0 CCADLP COCCCNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000247965278 352428298 /nfs/dbraw/zinc/42/82/98/352428298.db2.gz GRMRYAGSGVHPFC-ZIAGYGMSSA-N 2 2 283.416 0.555 20 0 CCADLP COCCCNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247965278 352428301 /nfs/dbraw/zinc/42/83/01/352428301.db2.gz GRMRYAGSGVHPFC-ZIAGYGMSSA-N 2 2 283.416 0.555 20 0 CCADLP COCCCNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247965278 352428303 /nfs/dbraw/zinc/42/83/03/352428303.db2.gz GRMRYAGSGVHPFC-ZIAGYGMSSA-N 2 2 283.416 0.555 20 0 CCADLP CSC[C@H](O)C[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000249453298 352491609 /nfs/dbraw/zinc/49/16/09/352491609.db2.gz MUKPPNASQKXRLU-TZMCWYRMSA-N 2 2 288.457 0.895 20 0 CCADLP CSC[C@H](O)C[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000249453298 352491611 /nfs/dbraw/zinc/49/16/11/352491611.db2.gz MUKPPNASQKXRLU-TZMCWYRMSA-N 2 2 288.457 0.895 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251777218 352511923 /nfs/dbraw/zinc/51/19/23/352511923.db2.gz MVHUWTAPXFQBBO-HBNTYKKESA-N 2 2 270.377 0.280 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251777218 352511927 /nfs/dbraw/zinc/51/19/27/352511927.db2.gz MVHUWTAPXFQBBO-HBNTYKKESA-N 2 2 270.377 0.280 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000253225392 352529625 /nfs/dbraw/zinc/52/96/25/352529625.db2.gz IIJPLGRJFMHHKL-IXPVHAAZSA-N 2 2 292.383 0.901 20 0 CCADLP c1cn(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c[nH+]1 ZINC000261884099 352565118 /nfs/dbraw/zinc/56/51/18/352565118.db2.gz FSIRXVPQBQDCDZ-BFHYXJOUSA-N 3 2 264.373 0.630 20 0 CCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000261956638 352567655 /nfs/dbraw/zinc/56/76/55/352567655.db2.gz QWEMOBIRLVSQRT-KBPBESRZSA-N 2 2 294.443 0.128 20 0 CCADLP Cn1ccnc1[C@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CCN1C ZINC000262092364 352578086 /nfs/dbraw/zinc/57/80/86/352578086.db2.gz UXYJGYREKFVWRK-UKRRQHHQSA-N 2 2 277.416 0.708 20 0 CCADLP Cn1ccnc1[C@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CCN1C ZINC000262092364 352578088 /nfs/dbraw/zinc/57/80/88/352578088.db2.gz UXYJGYREKFVWRK-UKRRQHHQSA-N 2 2 277.416 0.708 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000270364762 352925734 /nfs/dbraw/zinc/92/57/34/352925734.db2.gz CDRPNKIGKZIHJE-CYBMUJFWSA-N 2 2 280.372 0.188 20 0 CCADLP CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000270875110 352998609 /nfs/dbraw/zinc/99/86/09/352998609.db2.gz UXWORUZWLVWETI-LBPRGKRZSA-N 2 2 286.401 0.287 20 0 CCADLP CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000270875110 352998614 /nfs/dbraw/zinc/99/86/14/352998614.db2.gz UXWORUZWLVWETI-LBPRGKRZSA-N 2 2 286.401 0.287 20 0 CCADLP CNC(=O)[C@H]1CCC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000270887983 352999807 /nfs/dbraw/zinc/99/98/07/352999807.db2.gz ONGKGWTXKVWDLE-LBPRGKRZSA-N 2 2 250.346 0.650 20 0 CCADLP CNC(=O)[C@H]1CCC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000270887983 352999814 /nfs/dbraw/zinc/99/98/14/352999814.db2.gz ONGKGWTXKVWDLE-LBPRGKRZSA-N 2 2 250.346 0.650 20 0 CCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC000272391920 353059246 /nfs/dbraw/zinc/05/92/46/353059246.db2.gz CXPHELFGPXAPLC-CHWSQXEVSA-N 2 2 262.357 0.826 20 0 CCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC000272391920 353059250 /nfs/dbraw/zinc/05/92/50/353059250.db2.gz CXPHELFGPXAPLC-CHWSQXEVSA-N 2 2 262.357 0.826 20 0 CCADLP COC(=O)CC[N@@H+](CCCn1cc[nH+]c1)CC(OC)OC ZINC000274344362 353121394 /nfs/dbraw/zinc/12/13/94/353121394.db2.gz VGOANWABRBZFRI-UHFFFAOYSA-N 2 2 299.371 0.757 20 0 CCADLP COC(=O)CC[N@H+](CCCn1cc[nH+]c1)CC(OC)OC ZINC000274344362 353121395 /nfs/dbraw/zinc/12/13/95/353121395.db2.gz VGOANWABRBZFRI-UHFFFAOYSA-N 2 2 299.371 0.757 20 0 CCADLP CC(C)[NH+]1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000268371722 535202259 /nfs/dbraw/zinc/20/22/59/535202259.db2.gz HWFMWLAHFWILMD-UHFFFAOYSA-N 2 2 287.371 0.775 20 0 CCADLP Cc1cn2cc(NC(=O)C(=O)NCC[NH+](C)C)ccc2[nH+]1 ZINC000271665791 191267175 /nfs/dbraw/zinc/26/71/75/191267175.db2.gz PAJKRRLEXXCUDK-UHFFFAOYSA-N 2 2 289.339 0.259 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000156553268 188269359 /nfs/dbraw/zinc/26/93/59/188269359.db2.gz AFFCKTSPFBBGHU-STQMWFEESA-N 2 2 276.384 0.709 20 0 CCADLP CCc1nc(N2CCN(C(=O)C[NH+](C)C)CC2)cc(C)[nH+]1 ZINC000285974833 353562590 /nfs/dbraw/zinc/56/25/90/353562590.db2.gz BMZNWHSEBMHFOW-UHFFFAOYSA-N 2 2 291.399 0.558 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655458559 412581349 /nfs/dbraw/zinc/58/13/49/412581349.db2.gz RGERMQHIKLTCDX-WOPDTQHZSA-N 2 2 262.357 0.560 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2[nH+]ccn2C)[C@H](C)C1 ZINC000287347633 353640793 /nfs/dbraw/zinc/64/07/93/353640793.db2.gz IZWRZEQVYYUMHT-VXGBXAGGSA-N 2 2 295.387 0.017 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2[nH+]ccn2C)[C@H](C)C1 ZINC000287347633 353640796 /nfs/dbraw/zinc/64/07/96/353640796.db2.gz IZWRZEQVYYUMHT-VXGBXAGGSA-N 2 2 295.387 0.017 20 0 CCADLP [NH3+]CC[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(F)(F)F ZINC000655464710 412582036 /nfs/dbraw/zinc/58/20/36/412582036.db2.gz GABGFFVYNCSLDY-BDAKNGLRSA-N 2 2 290.289 0.841 20 0 CCADLP O=C(N[C@H]1CC12CC[NH2+]CC2)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655463046 412582913 /nfs/dbraw/zinc/58/29/13/412582913.db2.gz CHUHWKRRRYAWCV-NEPJUHHUSA-N 2 2 274.368 0.704 20 0 CCADLP COCCn1nnc2c1CC[N@H+](CCn1cc[nH+]c1C)C2 ZINC000293289324 353802037 /nfs/dbraw/zinc/80/20/37/353802037.db2.gz OPRYDWKSBAQBMB-UHFFFAOYSA-N 2 2 290.371 0.488 20 0 CCADLP COCCn1nnc2c1CC[N@@H+](CCn1cc[nH+]c1C)C2 ZINC000293289324 353802041 /nfs/dbraw/zinc/80/20/41/353802041.db2.gz OPRYDWKSBAQBMB-UHFFFAOYSA-N 2 2 290.371 0.488 20 0 CCADLP Cc1nocc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000293608193 353824129 /nfs/dbraw/zinc/82/41/29/353824129.db2.gz PKDUTCKEIHMPJP-LBPRGKRZSA-N 2 2 266.345 0.412 20 0 CCADLP Cc1nocc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000293608193 353824130 /nfs/dbraw/zinc/82/41/30/353824130.db2.gz PKDUTCKEIHMPJP-LBPRGKRZSA-N 2 2 266.345 0.412 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)NCCC[N@H+](C)CCOC ZINC000296338311 353942817 /nfs/dbraw/zinc/94/28/17/353942817.db2.gz HCQSNSGWNQUYCU-UHFFFAOYSA-N 2 2 297.403 0.671 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)NCCC[N@@H+](C)CCOC ZINC000296338311 353942818 /nfs/dbraw/zinc/94/28/18/353942818.db2.gz HCQSNSGWNQUYCU-UHFFFAOYSA-N 2 2 297.403 0.671 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297831185 353961615 /nfs/dbraw/zinc/96/16/15/353961615.db2.gz ZSUFALCXHRBECT-UHFFFAOYSA-N 3 2 292.427 0.954 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297831185 353961620 /nfs/dbraw/zinc/96/16/20/353961620.db2.gz ZSUFALCXHRBECT-UHFFFAOYSA-N 3 2 292.427 0.954 20 0 CCADLP C[C@@H](NC(=O)NC[C@H]1C[N@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000606676480 363304185 /nfs/dbraw/zinc/30/41/85/363304185.db2.gz CWLWMDPHTKYHMV-OCCSQVGLSA-N 2 2 298.431 0.347 20 0 CCADLP C[C@@H](NC(=O)NC[C@H]1C[N@@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000606676480 363304188 /nfs/dbraw/zinc/30/41/88/363304188.db2.gz CWLWMDPHTKYHMV-OCCSQVGLSA-N 2 2 298.431 0.347 20 0 CCADLP C=Cn1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cn1 ZINC000300251383 354059773 /nfs/dbraw/zinc/05/97/73/354059773.db2.gz DQAHJSOVVHXRES-KBPBESRZSA-N 2 2 262.357 0.936 20 0 CCADLP C=Cn1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cn1 ZINC000300251383 354059778 /nfs/dbraw/zinc/05/97/78/354059778.db2.gz DQAHJSOVVHXRES-KBPBESRZSA-N 2 2 262.357 0.936 20 0 CCADLP C[NH2+]CCCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655479144 412586447 /nfs/dbraw/zinc/58/64/47/412586447.db2.gz KUIZOWVANADTTQ-NSHDSACASA-N 2 2 250.346 0.513 20 0 CCADLP COC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000305108418 354130455 /nfs/dbraw/zinc/13/04/55/354130455.db2.gz DVBVCOLREDILQU-BMFZPTHFSA-N 2 2 293.411 0.889 20 0 CCADLP COC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000305108418 354130458 /nfs/dbraw/zinc/13/04/58/354130458.db2.gz DVBVCOLREDILQU-BMFZPTHFSA-N 2 2 293.411 0.889 20 0 CCADLP CC[N@H+](CCO)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000303116130 354096431 /nfs/dbraw/zinc/09/64/31/354096431.db2.gz UAEIHMXNSCYQOR-UHFFFAOYSA-N 2 2 295.383 0.238 20 0 CCADLP CC[N@@H+](CCO)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000303116130 354096432 /nfs/dbraw/zinc/09/64/32/354096432.db2.gz UAEIHMXNSCYQOR-UHFFFAOYSA-N 2 2 295.383 0.238 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)CN2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000303981686 354100626 /nfs/dbraw/zinc/10/06/26/354100626.db2.gz GBDFCGIEMFDGSN-IJEWVQPXSA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)CN2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000303981686 354100628 /nfs/dbraw/zinc/10/06/28/354100628.db2.gz GBDFCGIEMFDGSN-IJEWVQPXSA-N 2 2 297.443 0.237 20 0 CCADLP C[N@H+](CCCO)C1CCN(CCn2cc[nH+]c2)CC1 ZINC000305628267 354147858 /nfs/dbraw/zinc/14/78/58/354147858.db2.gz LJCFESSUEYRBLO-UHFFFAOYSA-N 2 2 266.389 0.662 20 0 CCADLP C[N@@H+](CCCO)C1CCN(CCn2cc[nH+]c2)CC1 ZINC000305628267 354147861 /nfs/dbraw/zinc/14/78/61/354147861.db2.gz LJCFESSUEYRBLO-UHFFFAOYSA-N 2 2 266.389 0.662 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+](CCn2ccnc2)CC1 ZINC000305628267 354147865 /nfs/dbraw/zinc/14/78/65/354147865.db2.gz LJCFESSUEYRBLO-UHFFFAOYSA-N 2 2 266.389 0.662 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+](CCn2ccnc2)CC1 ZINC000305628267 354147870 /nfs/dbraw/zinc/14/78/70/354147870.db2.gz LJCFESSUEYRBLO-UHFFFAOYSA-N 2 2 266.389 0.662 20 0 CCADLP CC[N@@H+]1CCCN(c2nc[nH+]c(N)c2OC)CC1 ZINC000307874740 354181438 /nfs/dbraw/zinc/18/14/38/354181438.db2.gz UEUUWMDIKTVMSH-UHFFFAOYSA-N 2 2 251.334 0.599 20 0 CCADLP CC[N@H+]1CCCN(c2nc[nH+]c(N)c2OC)CC1 ZINC000307874740 354181442 /nfs/dbraw/zinc/18/14/42/354181442.db2.gz UEUUWMDIKTVMSH-UHFFFAOYSA-N 2 2 251.334 0.599 20 0 CCADLP C[C@H]1C[N@H+](CCNc2cc(-n3cc[nH+]c3)ncn2)CCO1 ZINC000607146070 363341542 /nfs/dbraw/zinc/34/15/42/363341542.db2.gz WXJRZHBJZWXZEZ-LBPRGKRZSA-N 2 2 288.355 0.795 20 0 CCADLP C[C@H]1C[N@@H+](CCNc2cc(-n3cc[nH+]c3)ncn2)CCO1 ZINC000607146070 363341548 /nfs/dbraw/zinc/34/15/48/363341548.db2.gz WXJRZHBJZWXZEZ-LBPRGKRZSA-N 2 2 288.355 0.795 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)CCSC ZINC000309251234 354186758 /nfs/dbraw/zinc/18/67/58/354186758.db2.gz NDOIBXYWPUSEBF-LLVKDONJSA-N 2 2 250.408 0.220 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)CCSC ZINC000309251234 354186764 /nfs/dbraw/zinc/18/67/64/354186764.db2.gz NDOIBXYWPUSEBF-LLVKDONJSA-N 2 2 250.408 0.220 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)CCSC ZINC000309251234 354186767 /nfs/dbraw/zinc/18/67/67/354186767.db2.gz NDOIBXYWPUSEBF-LLVKDONJSA-N 2 2 250.408 0.220 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)CCSC ZINC000309251234 354186772 /nfs/dbraw/zinc/18/67/72/354186772.db2.gz NDOIBXYWPUSEBF-LLVKDONJSA-N 2 2 250.408 0.220 20 0 CCADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000312292344 354207661 /nfs/dbraw/zinc/20/76/61/354207661.db2.gz LZEVXATVYSHUGS-AWEZNQCLSA-N 2 2 282.388 0.426 20 0 CCADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000312292344 354207663 /nfs/dbraw/zinc/20/76/63/354207663.db2.gz LZEVXATVYSHUGS-AWEZNQCLSA-N 2 2 282.388 0.426 20 0 CCADLP CCOC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000312952307 354210463 /nfs/dbraw/zinc/21/04/63/354210463.db2.gz RWUWEWMIXNMBQG-KGLIPLIRSA-N 2 2 286.416 0.963 20 0 CCADLP CCOC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000312952307 354210467 /nfs/dbraw/zinc/21/04/67/354210467.db2.gz RWUWEWMIXNMBQG-KGLIPLIRSA-N 2 2 286.416 0.963 20 0 CCADLP CCOC(=O)[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000312952307 354210470 /nfs/dbraw/zinc/21/04/70/354210470.db2.gz RWUWEWMIXNMBQG-KGLIPLIRSA-N 2 2 286.416 0.963 20 0 CCADLP CCOC(=O)[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000312952307 354210476 /nfs/dbraw/zinc/21/04/76/354210476.db2.gz RWUWEWMIXNMBQG-KGLIPLIRSA-N 2 2 286.416 0.963 20 0 CCADLP O=C1NC2(CC[NH2+]CC2)C(=O)N1Cc1cn2ccccc2[nH+]1 ZINC000315080984 354224223 /nfs/dbraw/zinc/22/42/23/354224223.db2.gz TVNPFBFOGROCLK-UHFFFAOYSA-N 2 2 299.334 0.508 20 0 CCADLP CC(C)[C@@H](C)CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000557167161 291024061 /nfs/dbraw/zinc/02/40/61/291024061.db2.gz JTGDACQHWFIRRT-NWDGAFQWSA-N 2 2 256.394 0.563 20 0 CCADLP CC(C)[C@@H](C)CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000557167161 291024066 /nfs/dbraw/zinc/02/40/66/291024066.db2.gz JTGDACQHWFIRRT-NWDGAFQWSA-N 2 2 256.394 0.563 20 0 CCADLP CS[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH+](C)C ZINC000557244776 291028461 /nfs/dbraw/zinc/02/84/61/291028461.db2.gz ZHCVQNBSTVHFJO-QWRGUYRKSA-N 2 2 268.386 0.387 20 0 CCADLP CSC[C@H](O)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000331153726 354469341 /nfs/dbraw/zinc/46/93/41/354469341.db2.gz PADFYVKNYZAWRV-LLVKDONJSA-N 2 2 270.402 0.251 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000271755691 191308812 /nfs/dbraw/zinc/30/88/12/191308812.db2.gz GYGOJLDBOWITPQ-NSHDSACASA-N 2 2 265.361 0.656 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000271755691 191308816 /nfs/dbraw/zinc/30/88/16/191308816.db2.gz GYGOJLDBOWITPQ-NSHDSACASA-N 2 2 265.361 0.656 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000331356384 354548953 /nfs/dbraw/zinc/54/89/53/354548953.db2.gz RVRLBNRQMZNDBQ-RYUDHWBXSA-N 2 2 280.372 0.105 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000331356384 354548955 /nfs/dbraw/zinc/54/89/55/354548955.db2.gz RVRLBNRQMZNDBQ-RYUDHWBXSA-N 2 2 280.372 0.105 20 0 CCADLP C[C@@H]1CN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C[C@H]1[NH3+] ZINC000332183712 354626056 /nfs/dbraw/zinc/62/60/56/354626056.db2.gz ZKZUMPGTZPXYJR-FRRDWIJNSA-N 2 2 289.383 0.649 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000331556949 354605617 /nfs/dbraw/zinc/60/56/17/354605617.db2.gz GCQABIOTVBXVQI-GFCCVEGCSA-N 2 2 275.418 0.001 20 0 CCADLP CCS(=O)(=O)NCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000331556949 354605619 /nfs/dbraw/zinc/60/56/19/354605619.db2.gz GCQABIOTVBXVQI-GFCCVEGCSA-N 2 2 275.418 0.001 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000531940609 358489065 /nfs/dbraw/zinc/48/90/65/358489065.db2.gz ZJUOXAXLDMPHIS-CABCVRRESA-N 3 2 268.449 0.554 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000531940609 358489066 /nfs/dbraw/zinc/48/90/66/358489066.db2.gz ZJUOXAXLDMPHIS-CABCVRRESA-N 3 2 268.449 0.554 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000333675040 354774488 /nfs/dbraw/zinc/77/44/88/354774488.db2.gz YVPQQICXIISSTI-TZMCWYRMSA-N 2 2 284.404 0.006 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000333675040 354774490 /nfs/dbraw/zinc/77/44/90/354774490.db2.gz YVPQQICXIISSTI-TZMCWYRMSA-N 2 2 284.404 0.006 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC000333705822 354780622 /nfs/dbraw/zinc/78/06/22/354780622.db2.gz RNMPNLMUBDKDBJ-BYNQJWBRSA-N 2 2 269.389 0.258 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000334043056 354841822 /nfs/dbraw/zinc/84/18/22/354841822.db2.gz PAKHIZXKBURNDT-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H]1CN(C(=O)N(C)C)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000334424117 354862730 /nfs/dbraw/zinc/86/27/30/354862730.db2.gz WEFWEYVHNFSRFQ-LBPRGKRZSA-N 2 2 268.405 0.768 20 0 CCADLP C[C@H]1CN(C(=O)N(C)C)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000334424117 354862732 /nfs/dbraw/zinc/86/27/32/354862732.db2.gz WEFWEYVHNFSRFQ-LBPRGKRZSA-N 2 2 268.405 0.768 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423283058 234955868 /nfs/dbraw/zinc/95/58/68/234955868.db2.gz WZBPJHCQCHSPMF-HZSPNIEDSA-N 3 2 255.406 0.733 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000423564279 235008564 /nfs/dbraw/zinc/00/85/64/235008564.db2.gz PHPXQSYOMNIBGI-SMDDNHRTSA-N 2 2 285.351 0.995 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000423586873 235013291 /nfs/dbraw/zinc/01/32/91/235013291.db2.gz DFIBDYDOOCVGEZ-YUELXQCFSA-N 2 2 295.427 0.602 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000423586873 235013294 /nfs/dbraw/zinc/01/32/94/235013294.db2.gz DFIBDYDOOCVGEZ-YUELXQCFSA-N 2 2 295.427 0.602 20 0 CCADLP CO[C@H](C[NH3+])C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000423707083 235039802 /nfs/dbraw/zinc/03/98/02/235039802.db2.gz CUWZGDALGIQXKY-CQSZACIVSA-N 2 2 295.358 0.444 20 0 CCADLP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000423680563 235033680 /nfs/dbraw/zinc/03/36/80/235033680.db2.gz NJIGQPZTRVDRAE-GVXVVHGQSA-N 2 2 269.389 0.339 20 0 CCADLP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000423680563 235033685 /nfs/dbraw/zinc/03/36/85/235033685.db2.gz NJIGQPZTRVDRAE-GVXVVHGQSA-N 2 2 269.389 0.339 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@H]2CSC[NH2+]2)C[C@H](C)O1 ZINC000423766088 235066737 /nfs/dbraw/zinc/06/67/37/235066737.db2.gz VJEPQMIKFADSIR-GRYCIOLGSA-N 2 2 287.429 0.217 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@H]2CSC[NH2+]2)C[C@H](C)O1 ZINC000423766088 235066743 /nfs/dbraw/zinc/06/67/43/235066743.db2.gz VJEPQMIKFADSIR-GRYCIOLGSA-N 2 2 287.429 0.217 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCNc1cc[nH+]cc1 ZINC000558449459 291056472 /nfs/dbraw/zinc/05/64/72/291056472.db2.gz PUPRFVICHZSTNT-UHFFFAOYSA-N 2 2 259.313 0.008 20 0 CCADLP O=C(NC[C@H]1C[NH2+]CCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000423996835 235136814 /nfs/dbraw/zinc/13/68/14/235136814.db2.gz XLUYKRYQHFYBHR-CQSZACIVSA-N 2 2 286.335 0.591 20 0 CCADLP [NH3+][C@@H]1C[C@@H]1C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000424143942 235160764 /nfs/dbraw/zinc/16/07/64/235160764.db2.gz KGZDRFXOZBUWGO-QWHCGFSZSA-N 2 2 256.309 0.836 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000336702297 355141047 /nfs/dbraw/zinc/14/10/47/355141047.db2.gz GNXLECKWMCCGTL-LBPRGKRZSA-N 2 2 250.346 0.579 20 0 CCADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC000336726661 355151516 /nfs/dbraw/zinc/15/15/16/355151516.db2.gz LNNJSRYLPWZDKG-OLZOCXBDSA-N 2 2 251.374 0.539 20 0 CCADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC000336726661 355151519 /nfs/dbraw/zinc/15/15/19/355151519.db2.gz LNNJSRYLPWZDKG-OLZOCXBDSA-N 2 2 251.374 0.539 20 0 CCADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000336726661 355151522 /nfs/dbraw/zinc/15/15/22/355151522.db2.gz LNNJSRYLPWZDKG-OLZOCXBDSA-N 2 2 251.374 0.539 20 0 CCADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC000336726661 355151526 /nfs/dbraw/zinc/15/15/26/355151526.db2.gz LNNJSRYLPWZDKG-OLZOCXBDSA-N 2 2 251.374 0.539 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+](CCn3cc[nH+]c3C)C2)CC1 ZINC000336835559 355208542 /nfs/dbraw/zinc/20/85/42/355208542.db2.gz JOWOFJFRUOZJAH-INIZCTEOSA-N 3 2 291.443 0.903 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CCn3cc[nH+]c3C)C2)CC1 ZINC000336835559 355208544 /nfs/dbraw/zinc/20/85/44/355208544.db2.gz JOWOFJFRUOZJAH-INIZCTEOSA-N 3 2 291.443 0.903 20 0 CCADLP O=C1[C@H]([N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CCN1C1CC1 ZINC000336837851 355209508 /nfs/dbraw/zinc/20/95/08/355209508.db2.gz FXALDZIROPYPCG-DZGCQCFKSA-N 2 2 293.411 0.404 20 0 CCADLP O=C1[C@H]([N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CCN1C1CC1 ZINC000336837851 355209511 /nfs/dbraw/zinc/20/95/11/355209511.db2.gz FXALDZIROPYPCG-DZGCQCFKSA-N 2 2 293.411 0.404 20 0 CCADLP OC1(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)CCC1 ZINC000336805231 355181770 /nfs/dbraw/zinc/18/17/70/355181770.db2.gz VUXVIQRQMYNNQW-CQSZACIVSA-N 2 2 268.401 0.946 20 0 CCADLP OC1(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)CCC1 ZINC000336805231 355181772 /nfs/dbraw/zinc/18/17/72/355181772.db2.gz VUXVIQRQMYNNQW-CQSZACIVSA-N 2 2 268.401 0.946 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000336817476 355191222 /nfs/dbraw/zinc/19/12/22/355191222.db2.gz QMKYKFJVIYRMFF-RBSFLKMASA-N 3 2 269.433 0.763 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000336817476 355191223 /nfs/dbraw/zinc/19/12/23/355191223.db2.gz QMKYKFJVIYRMFF-RBSFLKMASA-N 3 2 269.433 0.763 20 0 CCADLP Cc1cc(C[N@H+](C)CCCN2CC[NH+](C)CC2)nn1C ZINC000336820248 355192680 /nfs/dbraw/zinc/19/26/80/355192680.db2.gz CGLLHBMEKYZOQZ-UHFFFAOYSA-N 2 2 279.432 0.798 20 0 CCADLP Cc1cc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)nn1C ZINC000336820248 355192685 /nfs/dbraw/zinc/19/26/85/355192685.db2.gz CGLLHBMEKYZOQZ-UHFFFAOYSA-N 2 2 279.432 0.798 20 0 CCADLP CC(C)OC[C@H](O)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000336822069 355195880 /nfs/dbraw/zinc/19/58/80/355195880.db2.gz KIEJGRJUVNORRS-CYBMUJFWSA-N 2 2 282.388 0.313 20 0 CCADLP Cn1cc(CC[NH+]2CCC([N@H+](C)CCCO)CC2)cn1 ZINC000336822196 355196096 /nfs/dbraw/zinc/19/60/96/355196096.db2.gz KRNURWAWRZJYHD-UHFFFAOYSA-N 2 2 280.416 0.741 20 0 CCADLP Cn1cc(CC[NH+]2CCC([N@@H+](C)CCCO)CC2)cn1 ZINC000336822196 355196100 /nfs/dbraw/zinc/19/61/00/355196100.db2.gz KRNURWAWRZJYHD-UHFFFAOYSA-N 2 2 280.416 0.741 20 0 CCADLP CC(C)OC[C@H](O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000336822803 355197284 /nfs/dbraw/zinc/19/72/84/355197284.db2.gz NAUXFNLJSQUZEK-CYBMUJFWSA-N 2 2 282.388 0.328 20 0 CCADLP CN(C[C@H](O)C[NH+]1CCOCC1)CC1([NH+](C)C)CCC1 ZINC000336827231 355202409 /nfs/dbraw/zinc/20/24/09/355202409.db2.gz SGEBMKGQGJCQPR-AWEZNQCLSA-N 2 2 285.432 0.096 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(O[C@@H]2CCOC2)CC1)C1CC1 ZINC000336848916 355217078 /nfs/dbraw/zinc/21/70/78/355217078.db2.gz NZZDMMJIZIVAED-GDBMZVCRSA-N 2 2 298.427 0.711 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(O[C@@H]2CCOC2)CC1)C1CC1 ZINC000336848916 355217079 /nfs/dbraw/zinc/21/70/79/355217079.db2.gz NZZDMMJIZIVAED-GDBMZVCRSA-N 2 2 298.427 0.711 20 0 CCADLP C[C@@H]1COCCN1CC[NH+]1CCC([N@H+](C)CCO)CC1 ZINC000337125388 355271045 /nfs/dbraw/zinc/27/10/45/355271045.db2.gz DXHMHCSHSJLPQJ-CQSZACIVSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H]1COCCN1CC[NH+]1CCC([N@@H+](C)CCO)CC1 ZINC000337125388 355271047 /nfs/dbraw/zinc/27/10/47/355271047.db2.gz DXHMHCSHSJLPQJ-CQSZACIVSA-N 2 2 285.432 0.096 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCn3ncnc3C2)CC1 ZINC000337299845 355297444 /nfs/dbraw/zinc/29/74/44/355297444.db2.gz NBUQFDVYVWUYNV-UHFFFAOYSA-N 2 2 292.431 0.510 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCn3ncnc3C2)CC1 ZINC000337299845 355297449 /nfs/dbraw/zinc/29/74/49/355297449.db2.gz NBUQFDVYVWUYNV-UHFFFAOYSA-N 2 2 292.431 0.510 20 0 CCADLP CS[C@@H]1CN(CC[N@@H+]2CCO[C@H](C)C2)C[C@H]1[NH+](C)C ZINC000337314709 355300208 /nfs/dbraw/zinc/30/02/08/355300208.db2.gz ILDDQDMTSQBTJF-MGPQQGTHSA-N 2 2 287.473 0.685 20 0 CCADLP CS[C@@H]1CN(CC[N@H+]2CCO[C@H](C)C2)C[C@H]1[NH+](C)C ZINC000337314709 355300211 /nfs/dbraw/zinc/30/02/11/355300211.db2.gz ILDDQDMTSQBTJF-MGPQQGTHSA-N 2 2 287.473 0.685 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000339064920 355479612 /nfs/dbraw/zinc/47/96/12/355479612.db2.gz AABMRYBKVKSJMO-STQMWFEESA-N 2 2 291.461 0.682 20 0 CCADLP Cc1c[nH+]c(CNCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)n1C ZINC000341039428 355592302 /nfs/dbraw/zinc/59/23/02/355592302.db2.gz NZUHJDJXKDWXRO-CYBMUJFWSA-N 2 2 293.415 0.406 20 0 CCADLP Cc1c[nH+]c(CNCCC[N@H+]2CCC[C@@H](C(N)=O)C2)n1C ZINC000341039428 355592303 /nfs/dbraw/zinc/59/23/03/355592303.db2.gz NZUHJDJXKDWXRO-CYBMUJFWSA-N 2 2 293.415 0.406 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000341118234 355609842 /nfs/dbraw/zinc/60/98/42/355609842.db2.gz IABCYLILQXMXQU-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000341118234 355609846 /nfs/dbraw/zinc/60/98/46/355609846.db2.gz IABCYLILQXMXQU-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH+]1CCC[C@@H]1CNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000341118234 355609849 /nfs/dbraw/zinc/60/98/49/355609849.db2.gz IABCYLILQXMXQU-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CC(=O)[C@@H](NC(=O)C[N@H+](C)CCCn1cc[nH+]c1)C(C)C ZINC000341138824 355613826 /nfs/dbraw/zinc/61/38/26/355613826.db2.gz QTBBASGWMSXLGU-HNNXBMFYSA-N 2 2 294.399 0.935 20 0 CCADLP CC(=O)[C@@H](NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1)C(C)C ZINC000341138824 355613827 /nfs/dbraw/zinc/61/38/27/355613827.db2.gz QTBBASGWMSXLGU-HNNXBMFYSA-N 2 2 294.399 0.935 20 0 CCADLP Cn1cc[nH+]c1[C@H](NC[C@H](O)C[NH+](C)C)C1CC1 ZINC000342790563 355747531 /nfs/dbraw/zinc/74/75/31/355747531.db2.gz CTIQOHNQYAXALD-NWDGAFQWSA-N 2 2 252.362 0.383 20 0 CCADLP O=C(C[C@@H]1CCC[NH2+]CC1)NCCc1[nH]cc[nH+]1 ZINC000427313630 235359082 /nfs/dbraw/zinc/35/90/82/235359082.db2.gz GMPAQYYPYQRVOK-LLVKDONJSA-N 2 2 250.346 0.848 20 0 CCADLP COC(=O)C1(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000344145123 355786396 /nfs/dbraw/zinc/78/63/96/355786396.db2.gz WVZKZYKNIZTTHO-CYBMUJFWSA-N 2 2 282.384 0.594 20 0 CCADLP COC(=O)C1(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000344145123 355786398 /nfs/dbraw/zinc/78/63/98/355786398.db2.gz WVZKZYKNIZTTHO-CYBMUJFWSA-N 2 2 282.384 0.594 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000344220767 355790137 /nfs/dbraw/zinc/79/01/37/355790137.db2.gz WPHMCVYOSABNHQ-MGPQQGTHSA-N 3 2 254.422 0.162 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000344220767 355790140 /nfs/dbraw/zinc/79/01/40/355790140.db2.gz WPHMCVYOSABNHQ-MGPQQGTHSA-N 3 2 254.422 0.162 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428035147 235391600 /nfs/dbraw/zinc/39/16/00/235391600.db2.gz UYOHHYQJQKNVAW-RFGFWPKPSA-N 2 2 281.400 0.354 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428035147 235391602 /nfs/dbraw/zinc/39/16/02/235391602.db2.gz UYOHHYQJQKNVAW-RFGFWPKPSA-N 2 2 281.400 0.354 20 0 CCADLP COc1cc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)c(F)cn1 ZINC000348313812 355911804 /nfs/dbraw/zinc/91/18/04/355911804.db2.gz RSHPPJACQUQBGA-IINYFYTJSA-N 2 2 283.347 0.947 20 0 CCADLP COc1cc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c(F)cn1 ZINC000348313812 355911805 /nfs/dbraw/zinc/91/18/05/355911805.db2.gz RSHPPJACQUQBGA-IINYFYTJSA-N 2 2 283.347 0.947 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)C1CC1 ZINC000351573744 356003228 /nfs/dbraw/zinc/00/32/28/356003228.db2.gz LUPFLLQJHOYVGB-CYBMUJFWSA-N 2 2 299.459 0.972 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)C1CC1 ZINC000351573744 356003229 /nfs/dbraw/zinc/00/32/29/356003229.db2.gz LUPFLLQJHOYVGB-CYBMUJFWSA-N 2 2 299.459 0.972 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCOCC2(CCOCC2)C1)C1CC1 ZINC000351608321 356004243 /nfs/dbraw/zinc/00/42/43/356004243.db2.gz ZHTKGKHOIAPJTQ-OAHLLOKOSA-N 2 2 298.427 0.571 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCOCC2(CCOCC2)C1)C1CC1 ZINC000351608321 356004244 /nfs/dbraw/zinc/00/42/44/356004244.db2.gz ZHTKGKHOIAPJTQ-OAHLLOKOSA-N 2 2 298.427 0.571 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCOCC2(CCOCC2)C1)C1CC1 ZINC000351608321 356004245 /nfs/dbraw/zinc/00/42/45/356004245.db2.gz ZHTKGKHOIAPJTQ-OAHLLOKOSA-N 2 2 298.427 0.571 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCOCC2(CCOCC2)C1)C1CC1 ZINC000351608321 356004246 /nfs/dbraw/zinc/00/42/46/356004246.db2.gz ZHTKGKHOIAPJTQ-OAHLLOKOSA-N 2 2 298.427 0.571 20 0 CCADLP COCC[N@H+](C)CCC[NH2+]Cc1c(C)cnn1C ZINC000352810458 356086242 /nfs/dbraw/zinc/08/62/42/356086242.db2.gz CGCJLWYQIVDTKZ-UHFFFAOYSA-N 2 2 254.378 0.786 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+]Cc1c(C)cnn1C ZINC000352810458 356086246 /nfs/dbraw/zinc/08/62/46/356086246.db2.gz CGCJLWYQIVDTKZ-UHFFFAOYSA-N 2 2 254.378 0.786 20 0 CCADLP Cc1cn[nH]c1C[NH2+][C@H](C)CC[NH+]1CCOCC1 ZINC000352812282 356087294 /nfs/dbraw/zinc/08/72/94/356087294.db2.gz XJZYLKMNBXEPOK-GFCCVEGCSA-N 2 2 252.362 0.919 20 0 CCADLP Cc1n[nH]cc1C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000353365526 356209836 /nfs/dbraw/zinc/20/98/36/356209836.db2.gz RAAHPQLOFDRCCO-UHFFFAOYSA-N 2 2 252.362 0.607 20 0 CCADLP Cc1n[nH]cc1C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000353365526 356209841 /nfs/dbraw/zinc/20/98/41/356209841.db2.gz RAAHPQLOFDRCCO-UHFFFAOYSA-N 2 2 252.362 0.607 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000353580940 356254097 /nfs/dbraw/zinc/25/40/97/356254097.db2.gz VFVQBQJYWNRVQC-WCQYABFASA-N 2 2 257.378 0.341 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000353580940 356254099 /nfs/dbraw/zinc/25/40/99/356254099.db2.gz VFVQBQJYWNRVQC-WCQYABFASA-N 2 2 257.378 0.341 20 0 CCADLP CC(C)[C@@H](O)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000353585570 356254897 /nfs/dbraw/zinc/25/48/97/356254897.db2.gz UJHAFYIWNVYXEI-CYBMUJFWSA-N 2 2 271.405 0.146 20 0 CCADLP CCC[C@H]([NH3+])C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000353591132 356255613 /nfs/dbraw/zinc/25/56/13/356255613.db2.gz BSYZTNPLZWBVSM-HNNXBMFYSA-N 3 2 296.459 0.789 20 0 CCADLP CCCC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000353629687 356261442 /nfs/dbraw/zinc/26/14/42/356261442.db2.gz DEEKMECKPUDQJO-GFCCVEGCSA-N 2 2 271.405 0.731 20 0 CCADLP CCCC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000353629687 356261443 /nfs/dbraw/zinc/26/14/43/356261443.db2.gz DEEKMECKPUDQJO-GFCCVEGCSA-N 2 2 271.405 0.731 20 0 CCADLP Cc1cccc(NCCNC(=O)[C@H]2CC(F)(F)C[NH2+]2)[nH+]1 ZINC000360833195 138012728 /nfs/dbraw/zinc/01/27/28/138012728.db2.gz NAVBRVIYCWFXMG-SNVBAGLBSA-N 2 2 284.310 0.915 20 0 CCADLP CCn1cc(C[N@H+](CCO)CCn2cc[nH+]c2C)cn1 ZINC000361356154 138031682 /nfs/dbraw/zinc/03/16/82/138031682.db2.gz LDSLSWCTZZPLQF-UHFFFAOYSA-N 2 2 277.372 0.902 20 0 CCADLP CCn1cc(C[N@@H+](CCO)CCn2cc[nH+]c2C)cn1 ZINC000361356154 138031683 /nfs/dbraw/zinc/03/16/83/138031683.db2.gz LDSLSWCTZZPLQF-UHFFFAOYSA-N 2 2 277.372 0.902 20 0 CCADLP CCn1nccc1C[N@H+](CCO)CCCn1cc[nH+]c1 ZINC000361354921 138031986 /nfs/dbraw/zinc/03/19/86/138031986.db2.gz FQIOWQZNSASHHV-UHFFFAOYSA-N 2 2 277.372 0.984 20 0 CCADLP CCn1nccc1C[N@@H+](CCO)CCCn1cc[nH+]c1 ZINC000361354921 138031987 /nfs/dbraw/zinc/03/19/87/138031987.db2.gz FQIOWQZNSASHHV-UHFFFAOYSA-N 2 2 277.372 0.984 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCNC2=O)C[C@H]1C ZINC000354207348 356366538 /nfs/dbraw/zinc/36/65/38/356366538.db2.gz MNIJQBXHWRIUKC-VXGBXAGGSA-N 2 2 282.388 0.343 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCNC2=O)C[C@H]1C ZINC000354207348 356366542 /nfs/dbraw/zinc/36/65/42/356366542.db2.gz MNIJQBXHWRIUKC-VXGBXAGGSA-N 2 2 282.388 0.343 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCNC2=O)C[C@H]1C ZINC000354207348 356366544 /nfs/dbraw/zinc/36/65/44/356366544.db2.gz MNIJQBXHWRIUKC-VXGBXAGGSA-N 2 2 282.388 0.343 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCNC2=O)C[C@H]1C ZINC000354207348 356366547 /nfs/dbraw/zinc/36/65/47/356366547.db2.gz MNIJQBXHWRIUKC-VXGBXAGGSA-N 2 2 282.388 0.343 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000354281015 356381445 /nfs/dbraw/zinc/38/14/45/356381445.db2.gz GCLUQGVZWYOWAH-QWHCGFSZSA-N 2 2 292.383 0.597 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000354281015 356381447 /nfs/dbraw/zinc/38/14/47/356381447.db2.gz GCLUQGVZWYOWAH-QWHCGFSZSA-N 2 2 292.383 0.597 20 0 CCADLP Cn1c2ccccc2[nH+]c1NCCC[N@@H+]1CCNC(=O)C1 ZINC000362634224 138067226 /nfs/dbraw/zinc/06/72/26/138067226.db2.gz DQQDQARZJVUTHZ-UHFFFAOYSA-N 2 2 287.367 0.229 20 0 CCADLP Cn1c2ccccc2[nH+]c1NCCC[N@H+]1CCNC(=O)C1 ZINC000362634224 138067227 /nfs/dbraw/zinc/06/72/27/138067227.db2.gz DQQDQARZJVUTHZ-UHFFFAOYSA-N 2 2 287.367 0.229 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)Nc2cc[nH+]c(N(C)C)c2)C1 ZINC000354516505 356430102 /nfs/dbraw/zinc/43/01/02/356430102.db2.gz UQRFKXZGJZPKHS-LBPRGKRZSA-N 2 2 278.356 0.807 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)Nc2cc[nH+]c(N(C)C)c2)C1 ZINC000354516505 356430105 /nfs/dbraw/zinc/43/01/05/356430105.db2.gz UQRFKXZGJZPKHS-LBPRGKRZSA-N 2 2 278.356 0.807 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000362690812 138070124 /nfs/dbraw/zinc/07/01/24/138070124.db2.gz GJSXGLORSSSCMW-STQMWFEESA-N 2 2 283.416 0.411 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000362690812 138070125 /nfs/dbraw/zinc/07/01/25/138070125.db2.gz GJSXGLORSSSCMW-STQMWFEESA-N 2 2 283.416 0.411 20 0 CCADLP C[C@H]1C[NH+](C)C[C@@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000362690812 138070126 /nfs/dbraw/zinc/07/01/26/138070126.db2.gz GJSXGLORSSSCMW-STQMWFEESA-N 2 2 283.416 0.411 20 0 CCADLP C[C@H]1C[NH+](C)C[C@@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000362690812 138070127 /nfs/dbraw/zinc/07/01/27/138070127.db2.gz GJSXGLORSSSCMW-STQMWFEESA-N 2 2 283.416 0.411 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2cncs2)C1 ZINC000362697925 138070552 /nfs/dbraw/zinc/07/05/52/138070552.db2.gz MMXUCOYTMQZDOU-LLVKDONJSA-N 2 2 280.397 0.539 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2cncs2)C1 ZINC000362697925 138070553 /nfs/dbraw/zinc/07/05/53/138070553.db2.gz MMXUCOYTMQZDOU-LLVKDONJSA-N 2 2 280.397 0.539 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363182829 138087054 /nfs/dbraw/zinc/08/70/54/138087054.db2.gz HPHABCKMHUGDBZ-NEPJUHHUSA-N 2 2 293.371 0.083 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363182829 138087055 /nfs/dbraw/zinc/08/70/55/138087055.db2.gz HPHABCKMHUGDBZ-NEPJUHHUSA-N 2 2 293.371 0.083 20 0 CCADLP C[C@H](C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)[NH+]1CC(C)C1 ZINC000573979847 334982448 /nfs/dbraw/zinc/98/24/48/334982448.db2.gz PTMJOGSYVKOFRE-CYBMUJFWSA-N 2 2 291.399 0.394 20 0 CCADLP COCC[NH+]1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000354868776 356518900 /nfs/dbraw/zinc/51/89/00/356518900.db2.gz WBFICTBQXDUIRI-UHFFFAOYSA-N 2 2 283.416 0.509 20 0 CCADLP COC(=O)[C@@H](C)[NH+](C)C/C=C\C[N@@H+](C)[C@H](C)C(=O)OC ZINC000619512400 366271826 /nfs/dbraw/zinc/27/18/26/366271826.db2.gz JTSKSHKYOZEXIA-PKJDGDQJSA-N 2 2 286.372 0.529 20 0 CCADLP COC(=O)[C@@H](C)[NH+](C)C/C=C\C[N@H+](C)[C@H](C)C(=O)OC ZINC000619512400 366271831 /nfs/dbraw/zinc/27/18/31/366271831.db2.gz JTSKSHKYOZEXIA-PKJDGDQJSA-N 2 2 286.372 0.529 20 0 CCADLP C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC000328799369 202061530 /nfs/dbraw/zinc/06/15/30/202061530.db2.gz HEXCBQBLRUMYKE-KBPBESRZSA-N 2 2 286.335 0.489 20 0 CCADLP C[N@H+]1CCO[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC000328799369 202061534 /nfs/dbraw/zinc/06/15/34/202061534.db2.gz HEXCBQBLRUMYKE-KBPBESRZSA-N 2 2 286.335 0.489 20 0 CCADLP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000609386245 363493993 /nfs/dbraw/zinc/49/39/93/363493993.db2.gz NQQBVMJQASMIPW-NSHDSACASA-N 2 2 270.377 0.295 20 0 CCADLP CNC(=O)NC(=O)CC[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000609386245 363493995 /nfs/dbraw/zinc/49/39/95/363493995.db2.gz NQQBVMJQASMIPW-NSHDSACASA-N 2 2 270.377 0.295 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NCC[NH+]2CCCCC2)no1 ZINC000355706649 356631426 /nfs/dbraw/zinc/63/14/26/356631426.db2.gz WRLWHDSPYDUSSN-UHFFFAOYSA-N 2 2 280.372 0.952 20 0 CCADLP CC(C)N(C)C(=O)[C@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000355960801 356675742 /nfs/dbraw/zinc/67/57/42/356675742.db2.gz VHOHMYUWWJBHAC-ZDUSSCGKSA-N 2 2 285.432 0.630 20 0 CCADLP CC(C)N(C)C(=O)[C@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000355960801 356675743 /nfs/dbraw/zinc/67/57/43/356675743.db2.gz VHOHMYUWWJBHAC-ZDUSSCGKSA-N 2 2 285.432 0.630 20 0 CCADLP O=C1NC2(CCCC2)C(=O)N1CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359307705 356799192 /nfs/dbraw/zinc/79/91/92/356799192.db2.gz OBIFNAMNMSDRRZ-RYUDHWBXSA-N 2 2 292.383 0.002 20 0 CCADLP CCOC(=O)c1c[nH+]ccc1NCC[N@@H+]1CCOC[C@@H]1C ZINC000359475713 356828696 /nfs/dbraw/zinc/82/86/96/356828696.db2.gz ABLAPJMJHYNGGL-LBPRGKRZSA-N 2 2 293.367 0.813 20 0 CCADLP CCOC(=O)c1c[nH+]ccc1NCC[N@H+]1CCOC[C@@H]1C ZINC000359475713 356828699 /nfs/dbraw/zinc/82/86/99/356828699.db2.gz ABLAPJMJHYNGGL-LBPRGKRZSA-N 2 2 293.367 0.813 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](CO)c2ccc(F)cc2)CC1 ZINC000359631012 356861300 /nfs/dbraw/zinc/86/13/00/356861300.db2.gz ZCLBYBKXBKVYPO-CQSZACIVSA-N 2 2 295.358 0.223 20 0 CCADLP C[N@H+](CCc1nnnn1-c1ccccc1)[C@@H](C[NH3+])C1CC1 ZINC000359913682 356918923 /nfs/dbraw/zinc/91/89/23/356918923.db2.gz RVASXWUPHHDIIB-AWEZNQCLSA-N 2 2 286.383 0.874 20 0 CCADLP C[N@@H+](CCc1nnnn1-c1ccccc1)[C@@H](C[NH3+])C1CC1 ZINC000359913682 356918924 /nfs/dbraw/zinc/91/89/24/356918924.db2.gz RVASXWUPHHDIIB-AWEZNQCLSA-N 2 2 286.383 0.874 20 0 CCADLP C[N@H+]([C@@H](C[NH3+])C1CC1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000360004374 356933675 /nfs/dbraw/zinc/93/36/75/356933675.db2.gz XAAXVOBVDQTGFC-UWVGGRQHSA-N 2 2 279.306 0.819 20 0 CCADLP C[N@@H+]([C@@H](C[NH3+])C1CC1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000360004374 356933679 /nfs/dbraw/zinc/93/36/79/356933679.db2.gz XAAXVOBVDQTGFC-UWVGGRQHSA-N 2 2 279.306 0.819 20 0 CCADLP CC(C)c1cc(N2CC[NH+](CCO)CC2)nc(N(C)C)[nH+]1 ZINC000360250778 356977261 /nfs/dbraw/zinc/97/72/61/356977261.db2.gz JWTSYNKALVLGGL-UHFFFAOYSA-N 2 2 293.415 0.780 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)C2([NH+]3CCOCC3)CCC2)CC[N@@H+]1C ZINC000360335752 356994049 /nfs/dbraw/zinc/99/40/49/356994049.db2.gz NQOVRQXQYLTVMG-ZIAGYGMSSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)C2([NH+]3CCOCC3)CCC2)CC[N@H+]1C ZINC000360335752 356994052 /nfs/dbraw/zinc/99/40/52/356994052.db2.gz NQOVRQXQYLTVMG-ZIAGYGMSSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@H](CC(N)=O)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000360417885 357007933 /nfs/dbraw/zinc/00/79/33/357007933.db2.gz VSTYJCBPPVKXDT-GFCCVEGCSA-N 2 2 276.384 0.900 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000364203299 357096434 /nfs/dbraw/zinc/09/64/34/357096434.db2.gz WHKYZWCQTVIXQQ-IUODEOHRSA-N 2 2 281.400 0.213 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000364203299 357096436 /nfs/dbraw/zinc/09/64/36/357096436.db2.gz WHKYZWCQTVIXQQ-IUODEOHRSA-N 2 2 281.400 0.213 20 0 CCADLP CCN(CCO)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364232359 357099969 /nfs/dbraw/zinc/09/99/69/357099969.db2.gz YPILIUOCURSOEM-CYBMUJFWSA-N 2 2 298.431 0.179 20 0 CCADLP CCN(CCO)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364232359 357099971 /nfs/dbraw/zinc/09/99/71/357099971.db2.gz YPILIUOCURSOEM-CYBMUJFWSA-N 2 2 298.431 0.179 20 0 CCADLP CON(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365176907 357135855 /nfs/dbraw/zinc/13/58/55/357135855.db2.gz BNIXGKZSCXVPOH-LLVKDONJSA-N 2 2 270.377 0.358 20 0 CCADLP CON(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365176907 357135861 /nfs/dbraw/zinc/13/58/61/357135861.db2.gz BNIXGKZSCXVPOH-LLVKDONJSA-N 2 2 270.377 0.358 20 0 CCADLP CN(C(=O)C(C)(C)O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365257449 357138071 /nfs/dbraw/zinc/13/80/71/357138071.db2.gz SMNMWYCXUDPGIO-CYBMUJFWSA-N 2 2 283.416 0.384 20 0 CCADLP CN(C(=O)C(C)(C)O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365257449 357138074 /nfs/dbraw/zinc/13/80/74/357138074.db2.gz SMNMWYCXUDPGIO-CYBMUJFWSA-N 2 2 283.416 0.384 20 0 CCADLP C[NH+](C)[C@H]1CCN(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000366472281 357213996 /nfs/dbraw/zinc/21/39/96/357213996.db2.gz LGCUTNIDNRMDBV-KBPBESRZSA-N 2 2 296.415 0.195 20 0 CCADLP C[NH+](C)[C@H]1CCN(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000366472281 357214002 /nfs/dbraw/zinc/21/40/02/357214002.db2.gz LGCUTNIDNRMDBV-KBPBESRZSA-N 2 2 296.415 0.195 20 0 CCADLP CC(C)N1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1=O ZINC000655729605 412652102 /nfs/dbraw/zinc/65/21/02/412652102.db2.gz LRWPXFKOTHSTFM-CABCVRRESA-N 2 2 295.427 0.839 20 0 CCADLP CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367725564 357276546 /nfs/dbraw/zinc/27/65/46/357276546.db2.gz LFJSRDPIBXRHFA-YNEHKIRRSA-N 2 2 274.430 0.884 20 0 CCADLP CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000367725564 357276550 /nfs/dbraw/zinc/27/65/50/357276550.db2.gz LFJSRDPIBXRHFA-YNEHKIRRSA-N 2 2 274.430 0.884 20 0 CCADLP O=C(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)NC1CCCC1 ZINC000655726871 412652219 /nfs/dbraw/zinc/65/22/19/412652219.db2.gz GXDGAEZKHMTZPG-OAHLLOKOSA-N 2 2 295.427 0.888 20 0 CCADLP C[C@H](O)C[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655750961 412655117 /nfs/dbraw/zinc/65/51/17/412655117.db2.gz IAVYYKCAYKMWER-SGMGOOAPSA-N 2 2 256.390 0.989 20 0 CCADLP COC(=O)C[C@H]1COCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000376530499 357476433 /nfs/dbraw/zinc/47/64/33/357476433.db2.gz AARMEKNAXCGYOU-LBPRGKRZSA-N 2 2 267.329 0.537 20 0 CCADLP COC(=O)C[C@H]1COCC[N@H+]1CCCn1cc[nH+]c1 ZINC000376530499 357476438 /nfs/dbraw/zinc/47/64/38/357476438.db2.gz AARMEKNAXCGYOU-LBPRGKRZSA-N 2 2 267.329 0.537 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000377163362 357547182 /nfs/dbraw/zinc/54/71/82/357547182.db2.gz AIYVRHNUMDOQKE-HIFRSBDPSA-N 2 2 278.400 0.987 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000377163362 357547184 /nfs/dbraw/zinc/54/71/84/357547184.db2.gz AIYVRHNUMDOQKE-HIFRSBDPSA-N 2 2 278.400 0.987 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCC[NH2+]3)C2)CC1 ZINC000377197790 357551147 /nfs/dbraw/zinc/55/11/47/357551147.db2.gz NEBZXVDCNOIJHZ-HIFRSBDPSA-N 3 2 294.443 0.413 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCC[NH2+]3)C2)CC1 ZINC000377197790 357551150 /nfs/dbraw/zinc/55/11/50/357551150.db2.gz NEBZXVDCNOIJHZ-HIFRSBDPSA-N 3 2 294.443 0.413 20 0 CCADLP COCCn1cc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cn1 ZINC000449392101 236031294 /nfs/dbraw/zinc/03/12/94/236031294.db2.gz IWCSHJWNJIRCKW-HNNXBMFYSA-N 2 2 296.415 0.466 20 0 CCADLP COCCn1cc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cn1 ZINC000449392101 236031295 /nfs/dbraw/zinc/03/12/95/236031295.db2.gz IWCSHJWNJIRCKW-HNNXBMFYSA-N 2 2 296.415 0.466 20 0 CCADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449656017 236043989 /nfs/dbraw/zinc/04/39/89/236043989.db2.gz ITDUFPTXQNFAJP-GMTAPVOTSA-N 2 2 275.343 0.736 20 0 CCADLP CNC(=O)C(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000121185456 283281266 /nfs/dbraw/zinc/28/12/66/283281266.db2.gz AZOLCQQZHUWTRK-WDEREUQCSA-N 2 2 253.390 0.973 20 0 CCADLP CNC(=O)C(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000121185456 283281267 /nfs/dbraw/zinc/28/12/67/283281267.db2.gz AZOLCQQZHUWTRK-WDEREUQCSA-N 2 2 253.390 0.973 20 0 CCADLP COc1cc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)sn1 ZINC000399224339 357782255 /nfs/dbraw/zinc/78/22/55/357782255.db2.gz WMVIGUSTACATQK-LLVKDONJSA-N 2 2 259.375 0.554 20 0 CCADLP COC(=O)[C@@H]([NH2+]CCCNc1cc(C)[nH+]cn1)C(C)C ZINC000450604895 236099404 /nfs/dbraw/zinc/09/94/04/236099404.db2.gz YBKVUCYSLYFAQF-ZDUSSCGKSA-N 2 2 280.372 0.796 20 0 CCADLP Cc1nc(NCC[NH+]2CCC(O)CC2)c(C)c(C)[nH+]1 ZINC000450878467 236118930 /nfs/dbraw/zinc/11/89/30/236118930.db2.gz YPFVLLLKUKYVNM-UHFFFAOYSA-N 2 2 264.373 0.692 20 0 CCADLP CSCCCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000561181213 291119496 /nfs/dbraw/zinc/11/94/96/291119496.db2.gz VLIGIRRGQIMUBS-SNVBAGLBSA-N 2 2 260.407 0.024 20 0 CCADLP CSCCCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000561181213 291119497 /nfs/dbraw/zinc/11/94/97/291119497.db2.gz VLIGIRRGQIMUBS-SNVBAGLBSA-N 2 2 260.407 0.024 20 0 CCADLP O[C@@H]1COC[C@H]1[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000561273263 291125571 /nfs/dbraw/zinc/12/55/71/291125571.db2.gz CZQWOIOWQVOCEO-YNEHKIRRSA-N 2 2 263.341 0.575 20 0 CCADLP O[C@@H]1COC[C@H]1[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000561273263 291125573 /nfs/dbraw/zinc/12/55/73/291125573.db2.gz CZQWOIOWQVOCEO-YNEHKIRRSA-N 2 2 263.341 0.575 20 0 CCADLP CCCN1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)CC1=O ZINC000261981163 283330762 /nfs/dbraw/zinc/33/07/62/283330762.db2.gz RKRMQQPIPDQMTG-CYBMUJFWSA-N 2 2 253.390 0.930 20 0 CCADLP CCCN1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC1=O ZINC000261981163 283330766 /nfs/dbraw/zinc/33/07/66/283330766.db2.gz RKRMQQPIPDQMTG-CYBMUJFWSA-N 2 2 253.390 0.930 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC000420356052 358180406 /nfs/dbraw/zinc/18/04/06/358180406.db2.gz CKRNFOLUBCSMDI-SCVCMEIPSA-N 2 2 284.404 0.587 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420360367 358180582 /nfs/dbraw/zinc/18/05/82/358180582.db2.gz LYPWQTRSNZBNHE-PWSUYJOCSA-N 2 2 284.404 0.718 20 0 CCADLP C[N@@H+]1CC[C@H]2OCCN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C1 ZINC000329188027 202224245 /nfs/dbraw/zinc/22/42/45/202224245.db2.gz PGESUUKBOWXEFP-NWDGAFQWSA-N 2 2 278.356 0.274 20 0 CCADLP C[N@H+]1CC[C@H]2OCCN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C1 ZINC000329188027 202224249 /nfs/dbraw/zinc/22/42/49/202224249.db2.gz PGESUUKBOWXEFP-NWDGAFQWSA-N 2 2 278.356 0.274 20 0 CCADLP C[C@@H](C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000429136058 358223560 /nfs/dbraw/zinc/22/35/60/358223560.db2.gz PLCIAKUQBNVYIM-FRRDWIJNSA-N 2 2 269.389 0.293 20 0 CCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000442771289 358242307 /nfs/dbraw/zinc/24/23/07/358242307.db2.gz ZJKJVVVCMQZYHI-NTZNESFSSA-N 2 2 277.372 0.195 20 0 CCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000442771289 358242311 /nfs/dbraw/zinc/24/23/11/358242311.db2.gz ZJKJVVVCMQZYHI-NTZNESFSSA-N 2 2 277.372 0.195 20 0 CCADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCOCC1 ZINC000449392600 358251356 /nfs/dbraw/zinc/25/13/56/358251356.db2.gz KLHFRVRJBQWHKI-ZIAGYGMSSA-N 2 2 256.390 0.992 20 0 CCADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCOCC1 ZINC000449392600 358251360 /nfs/dbraw/zinc/25/13/60/358251360.db2.gz KLHFRVRJBQWHKI-ZIAGYGMSSA-N 2 2 256.390 0.992 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)CCO1 ZINC000449394973 358251942 /nfs/dbraw/zinc/25/19/42/358251942.db2.gz OVNAFAPBRWLDLC-MCIONIFRSA-N 2 2 256.390 0.990 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2CCO)CCO1 ZINC000449394973 358251949 /nfs/dbraw/zinc/25/19/49/358251949.db2.gz OVNAFAPBRWLDLC-MCIONIFRSA-N 2 2 256.390 0.990 20 0 CCADLP CS[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)C[C@@H]1[NH+](C)C ZINC000493532350 358308576 /nfs/dbraw/zinc/30/85/76/358308576.db2.gz WAERDYBXVNILOW-BXXZLRJFSA-N 2 2 280.397 0.927 20 0 CCADLP Cn1ncc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)n1 ZINC000530242428 358385134 /nfs/dbraw/zinc/38/51/34/358385134.db2.gz UTHRDZSFYBAJFM-CQSZACIVSA-N 2 2 279.388 0.406 20 0 CCADLP CCCNC(=O)NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000430564872 283377140 /nfs/dbraw/zinc/37/71/40/283377140.db2.gz CZLAAFJBTWFULE-LBPRGKRZSA-N 2 2 258.366 0.185 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000530893700 358430321 /nfs/dbraw/zinc/43/03/21/358430321.db2.gz GIQAKORRQCVESW-CYBMUJFWSA-N 3 2 282.432 0.080 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000530893700 358430322 /nfs/dbraw/zinc/43/03/22/358430322.db2.gz GIQAKORRQCVESW-CYBMUJFWSA-N 3 2 282.432 0.080 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]CCN1CC[NH+](C)C(C)(C)C1)C1CC1 ZINC000567701439 358574055 /nfs/dbraw/zinc/57/40/55/358574055.db2.gz CDLXQFGOAHOBRX-OAHLLOKOSA-N 3 2 298.475 0.057 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]CCN1CC[NH+](C)C(C)(C)C1)C1CC1 ZINC000567701439 358574057 /nfs/dbraw/zinc/57/40/57/358574057.db2.gz CDLXQFGOAHOBRX-OAHLLOKOSA-N 3 2 298.475 0.057 20 0 CCADLP C[NH+](C[C@H](O)C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1)C1CC1 ZINC000567701439 358574059 /nfs/dbraw/zinc/57/40/59/358574059.db2.gz CDLXQFGOAHOBRX-OAHLLOKOSA-N 3 2 298.475 0.057 20 0 CCADLP C[NH+](C[C@H](O)C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)C1CC1 ZINC000567701439 358574061 /nfs/dbraw/zinc/57/40/61/358574061.db2.gz CDLXQFGOAHOBRX-OAHLLOKOSA-N 3 2 298.475 0.057 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000567728782 358578218 /nfs/dbraw/zinc/57/82/18/358578218.db2.gz ZYVWLFOBECVEGC-ZDUSSCGKSA-N 2 2 260.345 0.891 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000567728782 358578222 /nfs/dbraw/zinc/57/82/22/358578222.db2.gz ZYVWLFOBECVEGC-ZDUSSCGKSA-N 2 2 260.345 0.891 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)C[C@@H](C)O1 ZINC000567889202 358605678 /nfs/dbraw/zinc/60/56/78/358605678.db2.gz BQJYTRZVLNWSLE-IIAWOOMASA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)C[C@@H](C)O1 ZINC000567889202 358605679 /nfs/dbraw/zinc/60/56/79/358605679.db2.gz BQJYTRZVLNWSLE-IIAWOOMASA-N 2 2 295.427 0.698 20 0 CCADLP CN(Cc1cnn(C)c1)C(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000567990366 358622754 /nfs/dbraw/zinc/62/27/54/358622754.db2.gz XHGYJOOVKVIGPX-LBPRGKRZSA-N 2 2 281.404 0.342 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)[NH+]1CC(C)C1 ZINC000568205255 358647121 /nfs/dbraw/zinc/64/71/21/358647121.db2.gz IUQQUGKBYZJCQU-KBPBESRZSA-N 2 2 297.443 0.630 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)[NH+]1CC(C)C1 ZINC000568205255 358647123 /nfs/dbraw/zinc/64/71/23/358647123.db2.gz IUQQUGKBYZJCQU-KBPBESRZSA-N 2 2 297.443 0.630 20 0 CCADLP Cc1cccn2c(CN3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)c[nH+]c12 ZINC000568259344 358658585 /nfs/dbraw/zinc/65/85/85/358658585.db2.gz DFCKLEZGCWFNBI-GXTWGEPZSA-N 2 2 299.378 0.387 20 0 CCADLP Cc1cccn2c(C[N@@H+]3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)cnc12 ZINC000568259344 358658588 /nfs/dbraw/zinc/65/85/88/358658588.db2.gz DFCKLEZGCWFNBI-GXTWGEPZSA-N 2 2 299.378 0.387 20 0 CCADLP Cc1cccn2c(C[N@H+]3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)cnc12 ZINC000568259344 358658589 /nfs/dbraw/zinc/65/85/89/358658589.db2.gz DFCKLEZGCWFNBI-GXTWGEPZSA-N 2 2 299.378 0.387 20 0 CCADLP CC(C)(C)n1cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cn1 ZINC000568259660 358658599 /nfs/dbraw/zinc/65/85/99/358658599.db2.gz IPNFXZLDAWGUMK-STQMWFEESA-N 2 2 291.399 0.382 20 0 CCADLP CC(C)(C)n1cc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cn1 ZINC000568259660 358658601 /nfs/dbraw/zinc/65/86/01/358658601.db2.gz IPNFXZLDAWGUMK-STQMWFEESA-N 2 2 291.399 0.382 20 0 CCADLP CC(C)(C)n1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cn1 ZINC000568259656 358658840 /nfs/dbraw/zinc/65/88/40/358658840.db2.gz IPNFXZLDAWGUMK-CHWSQXEVSA-N 2 2 291.399 0.382 20 0 CCADLP CC(C)(C)n1cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cn1 ZINC000568259656 358658841 /nfs/dbraw/zinc/65/88/41/358658841.db2.gz IPNFXZLDAWGUMK-CHWSQXEVSA-N 2 2 291.399 0.382 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3cc(F)cc(F)c3)CCN2C1=O ZINC000568260688 358658848 /nfs/dbraw/zinc/65/88/48/358658848.db2.gz YIRPAHMIILNVTG-CHWSQXEVSA-N 2 2 281.306 0.709 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3cc(F)cc(F)c3)CCN2C1=O ZINC000568260688 358658849 /nfs/dbraw/zinc/65/88/49/358658849.db2.gz YIRPAHMIILNVTG-CHWSQXEVSA-N 2 2 281.306 0.709 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@H]2CCCN(S(C)(=O)=O)C2)n1C ZINC000568269223 358660926 /nfs/dbraw/zinc/66/09/26/358660926.db2.gz CMERQSMBILYECZ-NSHDSACASA-N 2 2 286.401 0.242 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)n1C ZINC000568269222 358661199 /nfs/dbraw/zinc/66/11/99/358661199.db2.gz CMERQSMBILYECZ-LLVKDONJSA-N 2 2 286.401 0.242 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)NCc1c[nH+]c(C)nc1N ZINC000568515526 358681921 /nfs/dbraw/zinc/68/19/21/358681921.db2.gz URUOMJMYYLQVQB-LBPRGKRZSA-N 2 2 277.372 0.688 20 0 CCADLP CCn1nc(C)c(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1C ZINC000568533620 358685312 /nfs/dbraw/zinc/68/53/12/358685312.db2.gz OGDVPXDXDWPXIK-OCCSQVGLSA-N 2 2 291.399 0.264 20 0 CCADLP CCn1nc(C)c(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1C ZINC000568533620 358685315 /nfs/dbraw/zinc/68/53/15/358685315.db2.gz OGDVPXDXDWPXIK-OCCSQVGLSA-N 2 2 291.399 0.264 20 0 CCADLP CCC(O)(CC)CCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000569322952 358752950 /nfs/dbraw/zinc/75/29/50/358752950.db2.gz MBXPJVJQABRCJG-GFCCVEGCSA-N 2 2 286.420 0.212 20 0 CCADLP CCC(O)(CC)CCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000569322952 358752955 /nfs/dbraw/zinc/75/29/55/358752955.db2.gz MBXPJVJQABRCJG-GFCCVEGCSA-N 2 2 286.420 0.212 20 0 CCADLP C[N@@H+]1CCN(C(=O)COC2CCCC2)[C@H](C[NH3+])C1 ZINC000568982758 358721902 /nfs/dbraw/zinc/72/19/02/358721902.db2.gz QQLXHQIBKMGAOH-LLVKDONJSA-N 2 2 255.362 0.047 20 0 CCADLP C[N@H+]1CCN(C(=O)COC2CCCC2)[C@H](C[NH3+])C1 ZINC000568982758 358721907 /nfs/dbraw/zinc/72/19/07/358721907.db2.gz QQLXHQIBKMGAOH-LLVKDONJSA-N 2 2 255.362 0.047 20 0 CCADLP CC(C)OCCCCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000569215213 358743339 /nfs/dbraw/zinc/74/33/39/358743339.db2.gz JCLRPJNRJFQSPB-CYBMUJFWSA-N 2 2 286.420 0.476 20 0 CCADLP CC(C)OCCCCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000569215213 358743343 /nfs/dbraw/zinc/74/33/43/358743343.db2.gz JCLRPJNRJFQSPB-CYBMUJFWSA-N 2 2 286.420 0.476 20 0 CCADLP COc1coc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1=O ZINC000569984728 358811681 /nfs/dbraw/zinc/81/16/81/358811681.db2.gz ACGILQMRQYYSFC-NXEZZACHSA-N 2 2 252.314 0.960 20 0 CCADLP COc1coc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1=O ZINC000569984728 358811684 /nfs/dbraw/zinc/81/16/84/358811684.db2.gz ACGILQMRQYYSFC-NXEZZACHSA-N 2 2 252.314 0.960 20 0 CCADLP Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+](C)C ZINC000570044237 358816564 /nfs/dbraw/zinc/81/65/64/358816564.db2.gz CDPARMXBAIRGBT-KGLIPLIRSA-N 2 2 282.384 0.247 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000570095083 358822436 /nfs/dbraw/zinc/82/24/36/358822436.db2.gz OLMXDHLTNPQFPS-GHMZBOCLSA-N 2 2 289.383 0.803 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000570095083 358822440 /nfs/dbraw/zinc/82/24/40/358822440.db2.gz OLMXDHLTNPQFPS-GHMZBOCLSA-N 2 2 289.383 0.803 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000570095083 358822444 /nfs/dbraw/zinc/82/24/44/358822444.db2.gz OLMXDHLTNPQFPS-GHMZBOCLSA-N 2 2 289.383 0.803 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000570095083 358822448 /nfs/dbraw/zinc/82/24/48/358822448.db2.gz OLMXDHLTNPQFPS-GHMZBOCLSA-N 2 2 289.383 0.803 20 0 CCADLP CC(C)[C@H](NC(=O)CCOC1C[NH2+]C1)c1[nH]cc[nH+]1 ZINC000569691759 358785180 /nfs/dbraw/zinc/78/51/80/358785180.db2.gz QJNVAIOPFRHEBS-LBPRGKRZSA-N 2 2 266.345 0.602 20 0 CCADLP O=C(CC[NH2+]C1CC1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000570463100 358861345 /nfs/dbraw/zinc/86/13/45/358861345.db2.gz QVDFEJBGECIYHM-UHFFFAOYSA-N 2 2 277.372 0.196 20 0 CCADLP C[C@H]1CC[C@@H](C[NH2+]C[C@@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)O1 ZINC000570510028 358863729 /nfs/dbraw/zinc/86/37/29/358863729.db2.gz UAXSBWQULHWYRQ-JARUQAPTSA-N 2 2 286.416 0.614 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000570518026 358866078 /nfs/dbraw/zinc/86/60/78/358866078.db2.gz RXHHBUCZSZYAMB-ZDUSSCGKSA-N 2 2 294.399 0.530 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000570518026 358866083 /nfs/dbraw/zinc/86/60/83/358866083.db2.gz RXHHBUCZSZYAMB-ZDUSSCGKSA-N 2 2 294.399 0.530 20 0 CCADLP O=C(NCC[NH+]1CCSCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000570165213 358829691 /nfs/dbraw/zinc/82/96/91/358829691.db2.gz OQADUKWSJVQBRN-GFCCVEGCSA-N 2 2 294.424 0.611 20 0 CCADLP C[C@@H](C[NH3+])N(C)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000570210717 358832878 /nfs/dbraw/zinc/83/28/78/358832878.db2.gz QCLFJNDKEKPFDN-LBPRGKRZSA-N 2 2 293.415 0.438 20 0 CCADLP CN(CC(C)(C)C[NH3+])C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000570572820 358871722 /nfs/dbraw/zinc/87/17/22/358871722.db2.gz GBIZRBANWSSFOY-UHFFFAOYSA-N 2 2 288.355 0.719 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)OC2(CCC2)C1 ZINC000570643478 358879547 /nfs/dbraw/zinc/87/95/47/358879547.db2.gz XTOTUAYJWFNYRW-CHWSQXEVSA-N 2 2 256.390 0.942 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)OC2(CCC2)C1 ZINC000570643478 358879552 /nfs/dbraw/zinc/87/95/52/358879552.db2.gz XTOTUAYJWFNYRW-CHWSQXEVSA-N 2 2 256.390 0.942 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000570643478 358879554 /nfs/dbraw/zinc/87/95/54/358879554.db2.gz XTOTUAYJWFNYRW-CHWSQXEVSA-N 2 2 256.390 0.942 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000570643478 358879559 /nfs/dbraw/zinc/87/95/59/358879559.db2.gz XTOTUAYJWFNYRW-CHWSQXEVSA-N 2 2 256.390 0.942 20 0 CCADLP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+]2CCC[C@@](C)(F)C2)C1=O ZINC000570786908 358894095 /nfs/dbraw/zinc/89/40/95/358894095.db2.gz LMVOAPRLSUUFGI-SWLSCSKDSA-N 2 2 299.390 0.890 20 0 CCADLP C[NH+](C)CCCN1C(=O)C[C@H]([N@H+]2CCC[C@@](C)(F)C2)C1=O ZINC000570786908 358894097 /nfs/dbraw/zinc/89/40/97/358894097.db2.gz LMVOAPRLSUUFGI-SWLSCSKDSA-N 2 2 299.390 0.890 20 0 CCADLP Cc1nc(NCC2CC[NH+](C3CC3)CC2)nc(N(C)C)[nH+]1 ZINC000570783300 358894175 /nfs/dbraw/zinc/89/41/75/358894175.db2.gz HYCWVSSTDRYEMM-UHFFFAOYSA-N 2 2 290.415 0.954 20 0 CCADLP Cc1nc(N(C)C)nc(NCC2CC[NH+](C3CC3)CC2)[nH+]1 ZINC000570783300 358894178 /nfs/dbraw/zinc/89/41/78/358894178.db2.gz HYCWVSSTDRYEMM-UHFFFAOYSA-N 2 2 290.415 0.954 20 0 CCADLP CC(C)Cn1cc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cn1 ZINC000573426613 358965727 /nfs/dbraw/zinc/96/57/27/358965727.db2.gz PHSARXMRXMHNAC-CYBMUJFWSA-N 2 2 294.403 0.646 20 0 CCADLP [NH3+]C[C@H]1CN(c2cc(N3CCCCC3)[nH+]cn2)CCO1 ZINC000573347229 358959269 /nfs/dbraw/zinc/95/92/69/358959269.db2.gz DGZLDKGDTRKLSO-LBPRGKRZSA-N 2 2 277.372 0.631 20 0 CCADLP [NH3+]C[C@H]1CN(c2cc(N3CCCCC3)nc[nH+]2)CCO1 ZINC000573347229 358959271 /nfs/dbraw/zinc/95/92/71/358959271.db2.gz DGZLDKGDTRKLSO-LBPRGKRZSA-N 2 2 277.372 0.631 20 0 CCADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](C[C@@H]2CCCNC2=O)CC1 ZINC000574050733 359024136 /nfs/dbraw/zinc/02/41/36/359024136.db2.gz KOSUGSMISQLJJZ-KBPBESRZSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H]1COCC[N@H+]1C1CC[NH+](C[C@@H]2CCCNC2=O)CC1 ZINC000574050733 359024141 /nfs/dbraw/zinc/02/41/41/359024141.db2.gz KOSUGSMISQLJJZ-KBPBESRZSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]([NH3+])C[N@H+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000580834699 359099230 /nfs/dbraw/zinc/09/92/30/359099230.db2.gz STFWJMVKHOZAQM-ZJUUUORDSA-N 2 2 271.386 0.674 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000580834699 359099232 /nfs/dbraw/zinc/09/92/32/359099232.db2.gz STFWJMVKHOZAQM-ZJUUUORDSA-N 2 2 271.386 0.674 20 0 CCADLP C[N@H+](CCC[NH3+])Cc1cnc(N2CCOCC2)s1 ZINC000580952778 359112792 /nfs/dbraw/zinc/11/27/92/359112792.db2.gz UEXYEWPAHHFNOS-UHFFFAOYSA-N 2 2 270.402 0.760 20 0 CCADLP C[N@@H+](CCC[NH3+])Cc1cnc(N2CCOCC2)s1 ZINC000580952778 359112794 /nfs/dbraw/zinc/11/27/94/359112794.db2.gz UEXYEWPAHHFNOS-UHFFFAOYSA-N 2 2 270.402 0.760 20 0 CCADLP C[C@@H](CC(=O)N1CC[N@H+](CCO)[C@H](C)C1)n1cc[nH+]c1 ZINC000580954857 359113981 /nfs/dbraw/zinc/11/39/81/359113981.db2.gz FBQSVXCFOCUYGD-QWHCGFSZSA-N 2 2 280.372 0.359 20 0 CCADLP C[C@@H](CC(=O)N1CC[N@@H+](CCO)[C@H](C)C1)n1cc[nH+]c1 ZINC000580954857 359113986 /nfs/dbraw/zinc/11/39/86/359113986.db2.gz FBQSVXCFOCUYGD-QWHCGFSZSA-N 2 2 280.372 0.359 20 0 CCADLP C[C@@H](CC(=O)N1CC[N@H+](CCO)[C@@H](C)C1)n1cc[nH+]c1 ZINC000580954858 359114419 /nfs/dbraw/zinc/11/44/19/359114419.db2.gz FBQSVXCFOCUYGD-STQMWFEESA-N 2 2 280.372 0.359 20 0 CCADLP C[C@@H](CC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1)n1cc[nH+]c1 ZINC000580954858 359114421 /nfs/dbraw/zinc/11/44/21/359114421.db2.gz FBQSVXCFOCUYGD-STQMWFEESA-N 2 2 280.372 0.359 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000580962160 359115982 /nfs/dbraw/zinc/11/59/82/359115982.db2.gz MODFMXNIGXBMCO-LBPRGKRZSA-N 2 2 280.372 0.488 20 0 CCADLP Cc1ccoc1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000581001364 359118219 /nfs/dbraw/zinc/11/82/19/359118219.db2.gz BBEDWSGZYRDFEN-LLVKDONJSA-N 2 2 266.345 0.372 20 0 CCADLP Cc1ccoc1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000581001364 359118226 /nfs/dbraw/zinc/11/82/26/359118226.db2.gz BBEDWSGZYRDFEN-LLVKDONJSA-N 2 2 266.345 0.372 20 0 CCADLP CC(C)N1CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1=O ZINC000583258837 359152828 /nfs/dbraw/zinc/15/28/28/359152828.db2.gz UKFAGWIDEYGKMB-QWHCGFSZSA-N 2 2 269.389 0.040 20 0 CCADLP CC(C)N1CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1=O ZINC000583258837 359152831 /nfs/dbraw/zinc/15/28/31/359152831.db2.gz UKFAGWIDEYGKMB-QWHCGFSZSA-N 2 2 269.389 0.040 20 0 CCADLP C[C@H](O)C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000583688345 359157821 /nfs/dbraw/zinc/15/78/21/359157821.db2.gz FAVJOLDERBKMKZ-AWEZNQCLSA-N 2 2 294.395 0.868 20 0 CCADLP [NH3+]CC(F)(F)CNC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000584043262 359162114 /nfs/dbraw/zinc/16/21/14/359162114.db2.gz SKJNQGCKUXBKEF-UHFFFAOYSA-N 2 2 276.331 0.460 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+]CC[C@H](C)O)CC1 ZINC000589734998 359399922 /nfs/dbraw/zinc/39/99/22/359399922.db2.gz KRRBDTFCLNXUHI-LBPRGKRZSA-N 2 2 272.389 0.765 20 0 CCADLP NC(=O)NC(=O)CC[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000563002827 291180557 /nfs/dbraw/zinc/18/05/57/291180557.db2.gz LIGDATUEOZYGBY-LLVKDONJSA-N 2 2 268.361 0.178 20 0 CCADLP NC(=O)NC(=O)CC[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000563002827 291180559 /nfs/dbraw/zinc/18/05/59/291180559.db2.gz LIGDATUEOZYGBY-LLVKDONJSA-N 2 2 268.361 0.178 20 0 CCADLP CCOC(=O)c1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000590687066 359507999 /nfs/dbraw/zinc/50/79/99/359507999.db2.gz PXFMZGKFEFNUAE-STQMWFEESA-N 2 2 275.352 0.910 20 0 CCADLP Cc1cc(NCC[N@H+]2CCOC[C@@H]2C)nc(C)[nH+]1 ZINC000591018374 359547485 /nfs/dbraw/zinc/54/74/85/359547485.db2.gz RRSVEFDWLHVNCL-NSHDSACASA-N 2 2 250.346 0.648 20 0 CCADLP Cc1cc(NCC[N@@H+]2CCOC[C@@H]2C)nc(C)[nH+]1 ZINC000591018374 359547488 /nfs/dbraw/zinc/54/74/88/359547488.db2.gz RRSVEFDWLHVNCL-NSHDSACASA-N 2 2 250.346 0.648 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)CCCn1cc[nH+]c1 ZINC000591134816 359561593 /nfs/dbraw/zinc/56/15/93/359561593.db2.gz XBXNHKPNSDQHJM-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)CCCn1cc[nH+]c1 ZINC000591134815 359561693 /nfs/dbraw/zinc/56/16/93/359561693.db2.gz XBXNHKPNSDQHJM-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)/C=C\C[NH+](C)C)C1 ZINC000492300458 237137822 /nfs/dbraw/zinc/13/78/22/237137822.db2.gz FLVNAWBUBCNAIT-RXNFCKPNSA-N 2 2 262.357 0.854 20 0 CCADLP [NH3+]C[C@@H](NC(=O)NCCCn1cc[nH+]c1)C(F)(F)F ZINC000655910028 412686730 /nfs/dbraw/zinc/68/67/30/412686730.db2.gz KNEGKZDVMCOGAQ-MRVPVSSYSA-N 2 2 279.266 0.462 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000296923487 200035971 /nfs/dbraw/zinc/03/59/71/200035971.db2.gz APQGDFLEHMVTFD-UHFFFAOYSA-N 2 2 262.357 0.970 20 0 CCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]([NH3+])c1cscn1 ZINC000563048138 291184949 /nfs/dbraw/zinc/18/49/49/291184949.db2.gz RUDYURTWLXMULS-MWLCHTKSSA-N 2 2 270.402 0.989 20 0 CCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]([NH3+])c1cscn1 ZINC000563048138 291184950 /nfs/dbraw/zinc/18/49/50/291184950.db2.gz RUDYURTWLXMULS-MWLCHTKSSA-N 2 2 270.402 0.989 20 0 CCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC1C[NH+](C(C)C)C1)C2 ZINC000296943710 200041705 /nfs/dbraw/zinc/04/17/05/200041705.db2.gz BVFVXXPMUDWKAG-GFCCVEGCSA-N 2 2 276.384 0.963 20 0 CCADLP O=C(NCCNc1cccc[nH+]1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000563065366 291187310 /nfs/dbraw/zinc/18/73/10/291187310.db2.gz NHAFSOHWMPODNH-FZMZJTMJSA-N 2 2 260.341 0.609 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)NCCCC[N@H+]1CCC[C@H]1CO ZINC000492870641 237327171 /nfs/dbraw/zinc/32/71/71/237327171.db2.gz WKIAEQQJOQHJRV-GXMNPTEKSA-N 2 2 292.383 0.776 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000492870641 237327180 /nfs/dbraw/zinc/32/71/80/237327180.db2.gz WKIAEQQJOQHJRV-GXMNPTEKSA-N 2 2 292.383 0.776 20 0 CCADLP C[C@H]1C[N@H+](CCN2CC[NH2+]C[C@@H]2c2nccn2C)CCO1 ZINC000563150049 291199718 /nfs/dbraw/zinc/19/97/18/291199718.db2.gz WWSHVFFXXUXHBY-UONOGXRCSA-N 2 2 293.415 0.087 20 0 CCADLP C[C@H]1C[N@@H+](CCN2CC[NH2+]C[C@@H]2c2nccn2C)CCO1 ZINC000563150049 291199719 /nfs/dbraw/zinc/19/97/19/291199719.db2.gz WWSHVFFXXUXHBY-UONOGXRCSA-N 2 2 293.415 0.087 20 0 CCADLP [NH3+]C1CC[NH+](CCn2cnc3ccccc3c2=O)CC1 ZINC000563153262 291199882 /nfs/dbraw/zinc/19/98/82/291199882.db2.gz DDBGZAZPSBENDO-UHFFFAOYSA-N 2 2 272.352 0.820 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCC(=O)NC(C)(C)C ZINC000134201082 296001064 /nfs/dbraw/zinc/00/10/64/296001064.db2.gz CLYGMWCDEHZBLK-NWDGAFQWSA-N 2 2 271.405 0.648 20 0 CCADLP CC(C)[C@H](C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[NH+](C)C ZINC000592433723 359839837 /nfs/dbraw/zinc/83/98/37/359839837.db2.gz PRTMDVOCSUZESR-HUUCEWRRSA-N 2 2 297.443 0.896 20 0 CCADLP COC(=O)CC1(C[N@@H+]2CCO[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000592475639 359851340 /nfs/dbraw/zinc/85/13/40/359851340.db2.gz RGMIPXCJUOHRGY-QWRGUYRKSA-N 2 2 256.346 0.378 20 0 CCADLP COC(=O)CC1(C[N@H+]2CCO[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000592475639 359851343 /nfs/dbraw/zinc/85/13/43/359851343.db2.gz RGMIPXCJUOHRGY-QWRGUYRKSA-N 2 2 256.346 0.378 20 0 CCADLP COC(=O)c1cccc(NC(=O)C[N@H+](C)CCC[NH3+])c1 ZINC000592474222 359851355 /nfs/dbraw/zinc/85/13/55/359851355.db2.gz CMDOGHAZPVGGHS-UHFFFAOYSA-N 2 2 279.340 0.692 20 0 CCADLP COC(=O)c1cccc(NC(=O)C[N@@H+](C)CCC[NH3+])c1 ZINC000592474222 359851359 /nfs/dbraw/zinc/85/13/59/359851359.db2.gz CMDOGHAZPVGGHS-UHFFFAOYSA-N 2 2 279.340 0.692 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC000592485241 359852933 /nfs/dbraw/zinc/85/29/33/359852933.db2.gz SVJIOYUCZVTCLT-SECBINFHSA-N 2 2 256.350 0.034 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000592484564 359853665 /nfs/dbraw/zinc/85/36/65/359853665.db2.gz DOCZPOHFGKSDMJ-UHFFFAOYSA-N 2 2 270.377 0.281 20 0 CCADLP O=S1(=O)CC[C@H](C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000329478702 202355420 /nfs/dbraw/zinc/35/54/20/202355420.db2.gz OQYFXLQDANZQDF-TZMCWYRMSA-N 2 2 296.392 0.969 20 0 CCADLP O=S1(=O)CC[C@H](C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000329478702 202355422 /nfs/dbraw/zinc/35/54/22/202355422.db2.gz OQYFXLQDANZQDF-TZMCWYRMSA-N 2 2 296.392 0.969 20 0 CCADLP C[NH+](C)CC(C)(C)CNc1[nH+]cnc2[nH]cc(C(N)=O)c21 ZINC000621243503 366675309 /nfs/dbraw/zinc/67/53/09/366675309.db2.gz CIKSCNMNSNOMGX-UHFFFAOYSA-N 2 2 290.371 0.478 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000563271136 291211258 /nfs/dbraw/zinc/21/12/58/291211258.db2.gz JOVXOOIIKFNZMA-UHFFFAOYSA-N 2 2 279.388 0.733 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000563353511 291216057 /nfs/dbraw/zinc/21/60/57/291216057.db2.gz ISPWWLWJGLGUAG-LLVKDONJSA-N 2 2 283.376 0.002 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000563353511 291216058 /nfs/dbraw/zinc/21/60/58/291216058.db2.gz ISPWWLWJGLGUAG-LLVKDONJSA-N 2 2 283.376 0.002 20 0 CCADLP CCCNC(=O)[C@@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000563357396 291216344 /nfs/dbraw/zinc/21/63/44/291216344.db2.gz VIQMCUJXKLVHKX-LLVKDONJSA-N 2 2 265.361 0.446 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](CO)CCF)CC1 ZINC000593687377 360134443 /nfs/dbraw/zinc/13/44/43/360134443.db2.gz SHAYOBVERDJMFP-CYBMUJFWSA-N 2 2 290.379 0.714 20 0 CCADLP COC(=O)C1(NC(=O)[C@H]([NH3+])CC[NH+](C)C)CCCCC1 ZINC000593901988 360201592 /nfs/dbraw/zinc/20/15/92/360201592.db2.gz MEJCGPFCFKEZGK-LLVKDONJSA-N 2 2 285.388 0.258 20 0 CCADLP CCC(CC)(CC(=O)OC)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593905746 360202970 /nfs/dbraw/zinc/20/29/70/360202970.db2.gz OBWJHVGCPRLMRO-NSHDSACASA-N 2 2 287.404 0.504 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000594015200 360234648 /nfs/dbraw/zinc/23/46/48/360234648.db2.gz WDVKGKBGZNGFQX-PRXAMGSTSA-N 2 2 253.371 0.558 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000594015200 360234653 /nfs/dbraw/zinc/23/46/53/360234653.db2.gz WDVKGKBGZNGFQX-PRXAMGSTSA-N 2 2 253.371 0.558 20 0 CCADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)CC)[C@@H]1SC ZINC000594014943 360234729 /nfs/dbraw/zinc/23/47/29/360234729.db2.gz CMHQQFYNVBWEEY-LOWDOPEQSA-N 2 2 276.446 0.798 20 0 CCADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)[C@@H]1SC ZINC000594014943 360234732 /nfs/dbraw/zinc/23/47/32/360234732.db2.gz CMHQQFYNVBWEEY-LOWDOPEQSA-N 2 2 276.446 0.798 20 0 CCADLP Cc1nc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c(C)c(C)[nH+]1 ZINC000594702756 360362488 /nfs/dbraw/zinc/36/24/88/360362488.db2.gz WRBZWHIXLPSFAW-VXGBXAGGSA-N 2 2 275.356 0.150 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3cnc4ccccn34)CCN2C1=O ZINC000594736384 360369231 /nfs/dbraw/zinc/36/92/31/360369231.db2.gz FPVLIZLWOHZHHF-AAEUAGOBSA-N 2 2 285.351 0.078 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3cnc4ccccn34)CCN2C1=O ZINC000594736384 360369233 /nfs/dbraw/zinc/36/92/33/360369233.db2.gz FPVLIZLWOHZHHF-AAEUAGOBSA-N 2 2 285.351 0.078 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1(C)C ZINC000563400647 291224160 /nfs/dbraw/zinc/22/41/60/291224160.db2.gz QIGSWHKBRCVDCK-GFCCVEGCSA-N 2 2 276.384 0.998 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1(C)C ZINC000563400647 291224161 /nfs/dbraw/zinc/22/41/61/291224161.db2.gz QIGSWHKBRCVDCK-GFCCVEGCSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@@H](C[NH2+]C[C@H]1CNc2ccnn2C1)[N@H+](C)C1CC1 ZINC000595145458 360443605 /nfs/dbraw/zinc/44/36/05/360443605.db2.gz KFNBFEJPSYRHSM-RYUDHWBXSA-N 2 2 263.389 0.997 20 0 CCADLP C[C@@H](C[NH2+]C[C@H]1CNc2ccnn2C1)[N@@H+](C)C1CC1 ZINC000595145458 360443613 /nfs/dbraw/zinc/44/36/13/360443613.db2.gz KFNBFEJPSYRHSM-RYUDHWBXSA-N 2 2 263.389 0.997 20 0 CCADLP [NH3+]C[C@H](NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)C(F)(F)F ZINC000655925467 412700687 /nfs/dbraw/zinc/70/06/87/412700687.db2.gz BMNXDVYBENTNKC-RCOVLWMOSA-N 2 2 291.277 0.456 20 0 CCADLP [NH3+]C[C@H](NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)C(F)(F)F ZINC000655925467 412700690 /nfs/dbraw/zinc/70/06/90/412700690.db2.gz BMNXDVYBENTNKC-RCOVLWMOSA-N 2 2 291.277 0.456 20 0 CCADLP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595507983 360554396 /nfs/dbraw/zinc/55/43/96/360554396.db2.gz SOWAOMFZBFYQFU-OAHLLOKOSA-N 2 2 297.399 0.083 20 0 CCADLP COC(=O)CCNC(=O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595507983 360554401 /nfs/dbraw/zinc/55/44/01/360554401.db2.gz SOWAOMFZBFYQFU-OAHLLOKOSA-N 2 2 297.399 0.083 20 0 CCADLP COC(=O)CCNC(=O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595507983 360554405 /nfs/dbraw/zinc/55/44/05/360554405.db2.gz SOWAOMFZBFYQFU-OAHLLOKOSA-N 2 2 297.399 0.083 20 0 CCADLP COC(=O)CCNC(=O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595507983 360554409 /nfs/dbraw/zinc/55/44/09/360554409.db2.gz SOWAOMFZBFYQFU-OAHLLOKOSA-N 2 2 297.399 0.083 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595508386 360554741 /nfs/dbraw/zinc/55/47/41/360554741.db2.gz WZJRLNGQIPJWLQ-OAHLLOKOSA-N 2 2 296.415 0.640 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595508386 360554743 /nfs/dbraw/zinc/55/47/43/360554743.db2.gz WZJRLNGQIPJWLQ-OAHLLOKOSA-N 2 2 296.415 0.640 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595508386 360554746 /nfs/dbraw/zinc/55/47/46/360554746.db2.gz WZJRLNGQIPJWLQ-OAHLLOKOSA-N 2 2 296.415 0.640 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595508386 360554749 /nfs/dbraw/zinc/55/47/49/360554749.db2.gz WZJRLNGQIPJWLQ-OAHLLOKOSA-N 2 2 296.415 0.640 20 0 CCADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N[C@H]1CC[NH2+]C1 ZINC000563459667 291232415 /nfs/dbraw/zinc/23/24/15/291232415.db2.gz YLXRKYQBYDRQQS-ZDUSSCGKSA-N 2 2 289.383 0.843 20 0 CCADLP [NH3+]C[C@@H](NC(=O)N1CCn2c[nH+]cc2C1)C(F)(F)F ZINC000655928947 412703697 /nfs/dbraw/zinc/70/36/97/412703697.db2.gz WWMFDIPRDLQTEI-MRVPVSSYSA-N 2 2 277.250 0.298 20 0 CCADLP CCOC(=O)[C@@]1(C(C)C)CC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000595890976 360692388 /nfs/dbraw/zinc/69/23/88/360692388.db2.gz GUTIWADBUPKLNM-ZFWWWQNUSA-N 2 2 284.400 0.886 20 0 CCADLP CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000595890976 360692392 /nfs/dbraw/zinc/69/23/92/360692392.db2.gz GUTIWADBUPKLNM-ZFWWWQNUSA-N 2 2 284.400 0.886 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)[NH3+] ZINC000595904055 360698684 /nfs/dbraw/zinc/69/86/84/360698684.db2.gz XODSMUZPEWMDCW-SNVBAGLBSA-N 2 2 272.393 0.526 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)[NH3+] ZINC000595904055 360698687 /nfs/dbraw/zinc/69/86/87/360698687.db2.gz XODSMUZPEWMDCW-SNVBAGLBSA-N 2 2 272.393 0.526 20 0 CCADLP O=C([C@@H]1CCC[NH2+]C1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000167317593 296019553 /nfs/dbraw/zinc/01/95/53/296019553.db2.gz TWYDOCPUBWZOMH-HUUCEWRRSA-N 2 2 295.427 0.699 20 0 CCADLP CSCC[C@H]([NH3+])C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000595940904 360716632 /nfs/dbraw/zinc/71/66/32/360716632.db2.gz VWFVPCRIJRMOPY-WOPDTQHZSA-N 2 2 289.445 0.292 20 0 CCADLP [NH3+][C@@H](CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C1CC1 ZINC000563601725 291240897 /nfs/dbraw/zinc/24/08/97/291240897.db2.gz HGQJRMXNOLMUPM-KGLIPLIRSA-N 2 2 290.367 0.982 20 0 CCADLP Cc1ccc(/C=C/C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])o1 ZINC000493737661 238344623 /nfs/dbraw/zinc/34/46/23/238344623.db2.gz HMISPRJURSVWCX-BTDICHCPSA-N 2 2 263.341 0.703 20 0 CCADLP Cc1ccc(/C=C/C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])o1 ZINC000493737661 238344639 /nfs/dbraw/zinc/34/46/39/238344639.db2.gz HMISPRJURSVWCX-BTDICHCPSA-N 2 2 263.341 0.703 20 0 CCADLP O=C(/C=C/c1[nH]cc[nH+]1)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000493751920 238355299 /nfs/dbraw/zinc/35/52/99/238355299.db2.gz JXEBBEZSBVNIIN-ROUHBEFFSA-N 2 2 276.340 0.402 20 0 CCADLP O=C(/C=C/c1[nH]cc[nH+]1)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000493751920 238355307 /nfs/dbraw/zinc/35/53/07/238355307.db2.gz JXEBBEZSBVNIIN-ROUHBEFFSA-N 2 2 276.340 0.402 20 0 CCADLP CNS(=O)(=O)CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000621262170 366688549 /nfs/dbraw/zinc/68/85/49/366688549.db2.gz PXLJMXUADGQXRT-UHFFFAOYSA-N 2 2 272.374 0.138 20 0 CCADLP CCCn1nccc1NC(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000631823761 370689665 /nfs/dbraw/zinc/68/96/65/370689665.db2.gz NCIUBNFDAOHCGI-UHFFFAOYSA-N 2 2 265.361 0.703 20 0 CCADLP CCN(CC(F)(F)F)C(=O)C[N@H+](C)CCC[NH2+]C ZINC000631828517 370694127 /nfs/dbraw/zinc/69/41/27/370694127.db2.gz QTQURMIXIZBJAG-UHFFFAOYSA-N 2 2 269.311 0.939 20 0 CCADLP CCN(CC(F)(F)F)C(=O)C[N@@H+](C)CCC[NH2+]C ZINC000631828517 370694129 /nfs/dbraw/zinc/69/41/29/370694129.db2.gz QTQURMIXIZBJAG-UHFFFAOYSA-N 2 2 269.311 0.939 20 0 CCADLP Cc1nc(N(C)C[C@@H](O)C[NH+]2CCOCC2)c(C)c(C)[nH+]1 ZINC000301673993 201129263 /nfs/dbraw/zinc/12/92/63/201129263.db2.gz PJFBDWDDJAAOHC-CQSZACIVSA-N 2 2 294.399 0.531 20 0 CCADLP Cc1ccccc1COCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000621624541 366811775 /nfs/dbraw/zinc/81/17/75/366811775.db2.gz NIRDEFCNZGOGGD-HNNXBMFYSA-N 2 2 291.395 0.613 20 0 CCADLP Cc1ccccc1COCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000621624541 366811782 /nfs/dbraw/zinc/81/17/82/366811782.db2.gz NIRDEFCNZGOGGD-HNNXBMFYSA-N 2 2 291.395 0.613 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3nccnc3C)C2)CC1 ZINC000598670051 361478228 /nfs/dbraw/zinc/47/82/28/361478228.db2.gz ITHVLNLMUIBFTK-OAHLLOKOSA-N 2 2 289.427 0.997 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3nccnc3C)C2)CC1 ZINC000598670051 361478231 /nfs/dbraw/zinc/47/82/31/361478231.db2.gz ITHVLNLMUIBFTK-OAHLLOKOSA-N 2 2 289.427 0.997 20 0 CCADLP CC[NH+]1C[C@H](C)N(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](C)C1 ZINC000564352763 291277140 /nfs/dbraw/zinc/27/71/40/291277140.db2.gz VCBVCROCNIASKW-AVGNSLFASA-N 2 2 269.389 0.258 20 0 CCADLP CC[NH+]1C[C@H](C)N(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](C)C1 ZINC000564352763 291277143 /nfs/dbraw/zinc/27/71/43/291277143.db2.gz VCBVCROCNIASKW-AVGNSLFASA-N 2 2 269.389 0.258 20 0 CCADLP COC(=O)CCNC(=O)CC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000599087750 361569683 /nfs/dbraw/zinc/56/96/83/361569683.db2.gz GGTQXUHTVHCXQZ-YPMHNXCESA-N 2 2 297.399 0.128 20 0 CCADLP COC(=O)CCNC(=O)CC[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000599087750 361569685 /nfs/dbraw/zinc/56/96/85/361569685.db2.gz GGTQXUHTVHCXQZ-YPMHNXCESA-N 2 2 297.399 0.128 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000599305921 361644302 /nfs/dbraw/zinc/64/43/02/361644302.db2.gz CLQJVLZWGVZEKP-LBPRGKRZSA-N 2 2 281.356 0.903 20 0 CCADLP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)CC(=O)OCC)C1 ZINC000599308224 361644887 /nfs/dbraw/zinc/64/48/87/361644887.db2.gz REHLHWSQAUXHGD-KGLIPLIRSA-N 2 2 286.416 0.964 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)CC(=O)OCC)C1 ZINC000599308224 361644891 /nfs/dbraw/zinc/64/48/91/361644891.db2.gz REHLHWSQAUXHGD-KGLIPLIRSA-N 2 2 286.416 0.964 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)CC(=O)OCC)C1 ZINC000599308224 361644895 /nfs/dbraw/zinc/64/48/95/361644895.db2.gz REHLHWSQAUXHGD-KGLIPLIRSA-N 2 2 286.416 0.964 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)CC(=O)OCC)C1 ZINC000599308224 361644897 /nfs/dbraw/zinc/64/48/97/361644897.db2.gz REHLHWSQAUXHGD-KGLIPLIRSA-N 2 2 286.416 0.964 20 0 CCADLP C[N@H+](CCOCC[NH3+])Cc1nc(CC2CC2)no1 ZINC000631829860 370696278 /nfs/dbraw/zinc/69/62/78/370696278.db2.gz BTMJRUCSGHRUQE-UHFFFAOYSA-N 2 2 254.334 0.429 20 0 CCADLP C[N@@H+](CCOCC[NH3+])Cc1nc(CC2CC2)no1 ZINC000631829860 370696282 /nfs/dbraw/zinc/69/62/82/370696282.db2.gz BTMJRUCSGHRUQE-UHFFFAOYSA-N 2 2 254.334 0.429 20 0 CCADLP CC(C)(CNc1cc[nH+]cc1C(N)=O)[NH+]1CCOCC1 ZINC000302039525 201313752 /nfs/dbraw/zinc/31/37/52/201313752.db2.gz QYWRNJZZXIXRHJ-UHFFFAOYSA-N 2 2 278.356 0.703 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C)(COC)CC1 ZINC000564737068 291297449 /nfs/dbraw/zinc/29/74/49/291297449.db2.gz WGXFKIPLSGFFCO-CQSZACIVSA-N 2 2 288.432 0.674 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C)(COC)CC1 ZINC000564737068 291297451 /nfs/dbraw/zinc/29/74/51/291297451.db2.gz WGXFKIPLSGFFCO-CQSZACIVSA-N 2 2 288.432 0.674 20 0 CCADLP C[C@@]1(NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC[NH2+]C1 ZINC000612909165 364041598 /nfs/dbraw/zinc/04/15/98/364041598.db2.gz KHZYDJOOFGLPGV-TVQRCGJNSA-N 2 2 263.345 0.318 20 0 CCADLP C[C@@]1(NC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC[NH2+]C1 ZINC000612909165 364041602 /nfs/dbraw/zinc/04/16/02/364041602.db2.gz KHZYDJOOFGLPGV-TVQRCGJNSA-N 2 2 263.345 0.318 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612968354 364057166 /nfs/dbraw/zinc/05/71/66/364057166.db2.gz YBEGBBBLDNTZSA-NWDGAFQWSA-N 2 2 277.372 0.713 20 0 CCADLP CC1(C)NC(=O)N(CC[N@@H+]2CCCCC[C@@H]([NH3+])C2)C1=O ZINC000631832860 370699519 /nfs/dbraw/zinc/69/95/19/370699519.db2.gz OOABJVMSAOPDKG-LLVKDONJSA-N 2 2 282.388 0.520 20 0 CCADLP CC1(C)NC(=O)N(CC[N@H+]2CCCCC[C@@H]([NH3+])C2)C1=O ZINC000631832860 370699521 /nfs/dbraw/zinc/69/95/21/370699521.db2.gz OOABJVMSAOPDKG-LLVKDONJSA-N 2 2 282.388 0.520 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1CCCCC[C@H]([NH3+])C1 ZINC000631834644 370700281 /nfs/dbraw/zinc/70/02/81/370700281.db2.gz CGRSYROIEWDAHM-KGLIPLIRSA-N 2 2 255.406 0.910 20 0 CCADLP OCC[NH2+]C1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC000631862171 370722300 /nfs/dbraw/zinc/72/23/00/370722300.db2.gz MYMHARPQLGLFKM-LLVKDONJSA-N 2 2 264.316 0.457 20 0 CCADLP OCC[NH2+]C1CC[NH+](Cc2cc(CO)ccc2F)CC1 ZINC000631862787 370723119 /nfs/dbraw/zinc/72/31/19/370723119.db2.gz STJQJJAPFWIUEL-UHFFFAOYSA-N 2 2 282.359 0.864 20 0 CCADLP C[C@H](C(=O)N1CCCCCC1)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631864130 370724818 /nfs/dbraw/zinc/72/48/18/370724818.db2.gz KZJULAKAAPZKDP-CQSZACIVSA-N 2 2 297.443 0.824 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H](O)COc1ccccc1 ZINC000564824426 291303348 /nfs/dbraw/zinc/30/33/48/291303348.db2.gz ADXCVLOYWRSHSQ-RBSFLKMASA-N 2 2 294.395 0.783 20 0 CCADLP O=S1(=O)CCC[C@H](C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)C1 ZINC000631889215 370737805 /nfs/dbraw/zinc/73/78/05/370737805.db2.gz DJTMHAIIVQLOGV-MGPQQGTHSA-N 2 2 286.441 0.885 20 0 CCADLP O=S1(=O)CCC[C@H](C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)C1 ZINC000631889215 370737811 /nfs/dbraw/zinc/73/78/11/370737811.db2.gz DJTMHAIIVQLOGV-MGPQQGTHSA-N 2 2 286.441 0.885 20 0 CCADLP CN(C(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)C1CC1 ZINC000631887162 370738084 /nfs/dbraw/zinc/73/80/84/370738084.db2.gz MLFHMJHMLGVRTL-DGCLKSJQSA-N 2 2 251.374 0.681 20 0 CCADLP CN(C(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)C1CC1 ZINC000631887162 370738087 /nfs/dbraw/zinc/73/80/87/370738087.db2.gz MLFHMJHMLGVRTL-DGCLKSJQSA-N 2 2 251.374 0.681 20 0 CCADLP Cc1cc(NC(=O)CC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)no1 ZINC000631887514 370738118 /nfs/dbraw/zinc/73/81/18/370738118.db2.gz SKSZKNXIVULHHZ-OLZOCXBDSA-N 2 2 292.383 0.807 20 0 CCADLP Cc1cc(NC(=O)CC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)no1 ZINC000631887514 370738124 /nfs/dbraw/zinc/73/81/24/370738124.db2.gz SKSZKNXIVULHHZ-OLZOCXBDSA-N 2 2 292.383 0.807 20 0 CCADLP c1nc2n(n1)[C@H](C[N@@H+]1CCC[C@@H]3C[NH2+]CC[C@H]31)CC2 ZINC000631890325 370739243 /nfs/dbraw/zinc/73/92/43/370739243.db2.gz OUKDVXYVEILYTA-FRRDWIJNSA-N 2 2 261.373 0.839 20 0 CCADLP c1nc2n(n1)[C@H](C[N@H+]1CCC[C@@H]3C[NH2+]CC[C@H]31)CC2 ZINC000631890325 370739247 /nfs/dbraw/zinc/73/92/47/370739247.db2.gz OUKDVXYVEILYTA-FRRDWIJNSA-N 2 2 261.373 0.839 20 0 CCADLP CN(CCC[NH+](C)C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000613260460 364186057 /nfs/dbraw/zinc/18/60/57/364186057.db2.gz VOKUOKZLMMUQGV-LBPRGKRZSA-N 2 2 264.373 0.856 20 0 CCADLP O[C@@H](C[NH2+]Cc1ccn2cc[nH+]c2c1)Cn1cccn1 ZINC000564852734 291307100 /nfs/dbraw/zinc/30/71/00/291307100.db2.gz OUCOUOQRTXDMIP-ZDUSSCGKSA-N 2 2 271.324 0.682 20 0 CCADLP CN(C)[C@@H](C(=O)N1CCC2(C[NH+](C)C2)C1)c1c[nH+]cn1C ZINC000614034824 364468862 /nfs/dbraw/zinc/46/88/62/364468862.db2.gz OLZVRNSHIIBNIW-CYBMUJFWSA-N 2 2 291.399 0.187 20 0 CCADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCn1nc3ccccn3c1=O)C2 ZINC000621780625 366864751 /nfs/dbraw/zinc/86/47/51/366864751.db2.gz TTXVRSZQHWDLQG-IUODEOHRSA-N 2 2 287.367 0.309 20 0 CCADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCn1nc3ccccn3c1=O)C2 ZINC000621780625 366864755 /nfs/dbraw/zinc/86/47/55/366864755.db2.gz TTXVRSZQHWDLQG-IUODEOHRSA-N 2 2 287.367 0.309 20 0 CCADLP Cc1nccnc1C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000621732616 366856741 /nfs/dbraw/zinc/85/67/41/366856741.db2.gz KNMNSQLWEAOXEF-UHFFFAOYSA-N 2 2 272.356 0.841 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000564941430 291322393 /nfs/dbraw/zinc/32/23/93/291322393.db2.gz WORCHHNYVCRDBF-GFCCVEGCSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000564941430 291322394 /nfs/dbraw/zinc/32/23/94/291322394.db2.gz WORCHHNYVCRDBF-GFCCVEGCSA-N 2 2 298.431 0.029 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)nn2)CC[NH2+]1 ZINC000564949407 291324042 /nfs/dbraw/zinc/32/40/42/291324042.db2.gz XUDIISLHTJPAGO-GHMZBOCLSA-N 2 2 286.339 0.533 20 0 CCADLP COc1cc2c(cc1CN1CC[N@H+](C)C[C@@H]1C[NH3+])OCO2 ZINC000564973594 291328701 /nfs/dbraw/zinc/32/87/01/291328701.db2.gz MVIWIIFQDZMOLE-LBPRGKRZSA-N 2 2 293.367 0.499 20 0 CCADLP COc1cc2c(cc1CN1CC[N@@H+](C)C[C@@H]1C[NH3+])OCO2 ZINC000564973594 291328702 /nfs/dbraw/zinc/32/87/02/291328702.db2.gz MVIWIIFQDZMOLE-LBPRGKRZSA-N 2 2 293.367 0.499 20 0 CCADLP O=c1[nH]nc(C2CC[NH+](CC3CC[NH2+]CC3)CC2)[nH]1 ZINC000564989077 291332092 /nfs/dbraw/zinc/33/20/92/291332092.db2.gz QSCHMUQMOSSSNE-UHFFFAOYSA-N 2 2 265.361 0.689 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564986591 291330989 /nfs/dbraw/zinc/33/09/89/291330989.db2.gz XCSVDOAFIKVJCC-AWEZNQCLSA-N 2 2 269.389 0.215 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564986591 291330990 /nfs/dbraw/zinc/33/09/90/291330990.db2.gz XCSVDOAFIKVJCC-AWEZNQCLSA-N 2 2 269.389 0.215 20 0 CCADLP Cc1nc(N)c(CNC(=O)C[N@@H+](C)[C@@H]2CCSC2)c[nH+]1 ZINC000565022932 291336588 /nfs/dbraw/zinc/33/65/88/291336588.db2.gz CFVBMJUMDIYBJF-LLVKDONJSA-N 2 2 295.412 0.251 20 0 CCADLP Cc1nc(N)c(CNC(=O)C[N@H+](C)[C@@H]2CCSC2)c[nH+]1 ZINC000565022932 291336590 /nfs/dbraw/zinc/33/65/90/291336590.db2.gz CFVBMJUMDIYBJF-LLVKDONJSA-N 2 2 295.412 0.251 20 0 CCADLP CC(C)[C@H](C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC000615550858 365003650 /nfs/dbraw/zinc/00/36/50/365003650.db2.gz WGHNDTICBIGBQO-HUUCEWRRSA-N 2 2 297.443 0.896 20 0 CCADLP COC(C[NH+]1CCN(c2[nH+]ccn2C)CC1)OC ZINC000275442683 193039397 /nfs/dbraw/zinc/03/93/97/193039397.db2.gz JODHQRWGIVBDJB-UHFFFAOYSA-N 2 2 254.334 0.161 20 0 CCADLP Cn1ncc2c1nc(N)[nH+]c2N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000656110203 412742868 /nfs/dbraw/zinc/74/28/68/412742868.db2.gz YIHMNFGGGKRKFZ-NXEZZACHSA-N 2 2 287.371 0.984 20 0 CCADLP Cn1ncc2c1nc(N)[nH+]c2N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000656110203 412742872 /nfs/dbraw/zinc/74/28/72/412742872.db2.gz YIHMNFGGGKRKFZ-NXEZZACHSA-N 2 2 287.371 0.984 20 0 CCADLP O=C1C[C@@H]([NH+]2CCC(CCCn3cc[nH+]c3)CC2)C(=O)N1 ZINC000565159405 291348773 /nfs/dbraw/zinc/34/87/73/291348773.db2.gz ZIYGECXZALWOTB-CYBMUJFWSA-N 2 2 290.367 0.790 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)CCO1 ZINC000621784824 366867948 /nfs/dbraw/zinc/86/79/48/366867948.db2.gz VNHMQCKPGYHCKW-HZSPNIEDSA-N 2 2 253.390 0.520 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)CCO1 ZINC000621784824 366867950 /nfs/dbraw/zinc/86/79/50/366867950.db2.gz VNHMQCKPGYHCKW-HZSPNIEDSA-N 2 2 253.390 0.520 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)NCCc2cn(C)c[nH+]2)C[N@@H+]1C1CC1 ZINC000565290317 291369290 /nfs/dbraw/zinc/36/92/90/291369290.db2.gz IDNNPMCDRNDXRC-WCQYABFASA-N 2 2 291.399 0.887 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)NCCc2cn(C)c[nH+]2)C[N@H+]1C1CC1 ZINC000565290317 291369292 /nfs/dbraw/zinc/36/92/92/291369292.db2.gz IDNNPMCDRNDXRC-WCQYABFASA-N 2 2 291.399 0.887 20 0 CCADLP C[NH+](C)CC(C)(C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000622098631 367025698 /nfs/dbraw/zinc/02/56/98/367025698.db2.gz LHONRAKDAZEXFB-LLVKDONJSA-N 2 2 264.373 0.902 20 0 CCADLP CN(C)[C@@H](C(=O)NCC1CC[NH+](C)CC1)c1c[nH+]cn1C ZINC000622342868 367122067 /nfs/dbraw/zinc/12/20/67/367122067.db2.gz GSBHCXBNMXKRHY-CQSZACIVSA-N 2 2 293.415 0.481 20 0 CCADLP CC[NH2+]CCCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000566203437 291375071 /nfs/dbraw/zinc/37/50/71/291375071.db2.gz WTGYYBCNCUEVAH-UHFFFAOYSA-N 2 2 273.340 0.997 20 0 CCADLP C[NH+](C)C1(CS(=O)(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CC1 ZINC000632034182 370840972 /nfs/dbraw/zinc/84/09/72/370840972.db2.gz NGSSSQBVDQILSA-ZDUSSCGKSA-N 2 2 299.440 0.357 20 0 CCADLP CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2ccc(N)[nH+]c2)C1(C)C ZINC000566237108 291381581 /nfs/dbraw/zinc/38/15/81/291381581.db2.gz KGWNGOIDKJKAJZ-IINYFYTJSA-N 2 2 278.356 0.965 20 0 CCADLP O=c1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)nc2cc[nH]n21 ZINC000566242953 291382729 /nfs/dbraw/zinc/38/27/29/291382729.db2.gz PFQKEOYKUJAFIX-TXEJJXNPSA-N 2 2 287.367 0.454 20 0 CCADLP O=c1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)nc2cc[nH]n21 ZINC000566242953 291382731 /nfs/dbraw/zinc/38/27/31/291382731.db2.gz PFQKEOYKUJAFIX-TXEJJXNPSA-N 2 2 287.367 0.454 20 0 CCADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)NCC(F)(F)F ZINC000424296040 299370257 /nfs/dbraw/zinc/37/02/57/299370257.db2.gz RYSBRBQYYGSQSJ-DJLDLDEBSA-N 2 2 267.295 0.913 20 0 CCADLP C[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C[NH3+] ZINC000623179409 367467677 /nfs/dbraw/zinc/46/76/77/367467677.db2.gz MUAKOYXKKXZSQC-FRRDWIJNSA-N 2 2 276.384 0.889 20 0 CCADLP C[C@H](CC(=O)N[C@@H]1Cc2c[nH+]cn2C1)n1cc[nH+]c1 ZINC000623255052 367491373 /nfs/dbraw/zinc/49/13/73/367491373.db2.gz ILYNJXHMQWSUSE-GHMZBOCLSA-N 2 2 259.313 0.772 20 0 CCADLP [NH3+]C[C@H]1CCCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623175723 367462767 /nfs/dbraw/zinc/46/27/67/367462767.db2.gz JMQBOXGKFFMANN-VXGBXAGGSA-N 2 2 262.357 0.785 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623493008 367573903 /nfs/dbraw/zinc/57/39/03/367573903.db2.gz RTQJNZIIIBSNLZ-GXTWGEPZSA-N 3 2 255.406 0.515 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623493008 367573908 /nfs/dbraw/zinc/57/39/08/367573908.db2.gz RTQJNZIIIBSNLZ-GXTWGEPZSA-N 3 2 255.406 0.515 20 0 CCADLP C[NH+]1CC[C@@](O)(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623493008 367573913 /nfs/dbraw/zinc/57/39/13/367573913.db2.gz RTQJNZIIIBSNLZ-GXTWGEPZSA-N 3 2 255.406 0.515 20 0 CCADLP C[NH+]1CC[C@@](O)(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623493008 367573918 /nfs/dbraw/zinc/57/39/18/367573918.db2.gz RTQJNZIIIBSNLZ-GXTWGEPZSA-N 3 2 255.406 0.515 20 0 CCADLP C[C@@H]1OCC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000623619760 367604986 /nfs/dbraw/zinc/60/49/86/367604986.db2.gz WGQLTDXEDHCRKR-SRVKXCTJSA-N 2 2 255.362 0.093 20 0 CCADLP C[C@@H]1OCC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000623619760 367604992 /nfs/dbraw/zinc/60/49/92/367604992.db2.gz WGQLTDXEDHCRKR-SRVKXCTJSA-N 2 2 255.362 0.093 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CCCC[NH+](C)C2)C1 ZINC000623570912 367594628 /nfs/dbraw/zinc/59/46/28/367594628.db2.gz IDEXJMUZYMLATB-UONOGXRCSA-N 2 2 298.431 0.348 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CCCC[NH+](C)C2)C1 ZINC000623570912 367594630 /nfs/dbraw/zinc/59/46/30/367594630.db2.gz IDEXJMUZYMLATB-UONOGXRCSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH+]1CCO[C@H](CNC(=O)NC[C@@H]2CCCC[N@H+](C)C2)C1 ZINC000623570912 367594636 /nfs/dbraw/zinc/59/46/36/367594636.db2.gz IDEXJMUZYMLATB-UONOGXRCSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH+]1CCO[C@H](CNC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)C1 ZINC000623570912 367594640 /nfs/dbraw/zinc/59/46/40/367594640.db2.gz IDEXJMUZYMLATB-UONOGXRCSA-N 2 2 298.431 0.348 20 0 CCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000623573900 367595094 /nfs/dbraw/zinc/59/50/94/367595094.db2.gz ZTSJXRHZXZJTDD-CHWSQXEVSA-N 2 2 286.420 0.347 20 0 CCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000623573900 367595102 /nfs/dbraw/zinc/59/51/02/367595102.db2.gz ZTSJXRHZXZJTDD-CHWSQXEVSA-N 2 2 286.420 0.347 20 0 CCADLP CC[C@@H](C)[NH+](C)CCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623573900 367595105 /nfs/dbraw/zinc/59/51/05/367595105.db2.gz ZTSJXRHZXZJTDD-CHWSQXEVSA-N 2 2 286.420 0.347 20 0 CCADLP CC[C@@H](C)[NH+](C)CCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623573900 367595108 /nfs/dbraw/zinc/59/51/08/367595108.db2.gz ZTSJXRHZXZJTDD-CHWSQXEVSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2COCCN2C)C[N@@H+]1C1CC1 ZINC000623711604 367626453 /nfs/dbraw/zinc/62/64/53/367626453.db2.gz KCPSARWFOJJVHE-BZPMIXESSA-N 2 2 253.390 0.532 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2COCCN2C)C[N@H+]1C1CC1 ZINC000623711604 367626456 /nfs/dbraw/zinc/62/64/56/367626456.db2.gz KCPSARWFOJJVHE-BZPMIXESSA-N 2 2 253.390 0.532 20 0 CCADLP NC(=O)[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000623662147 367616365 /nfs/dbraw/zinc/61/63/65/367616365.db2.gz PFQBRAWJXWWNCO-NNUKFRKNSA-N 2 2 288.395 0.900 20 0 CCADLP C[C@H](NC(=O)NC[C@@H]1COCC[N@@H+]1C)C1CC[NH+](C)CC1 ZINC000623724271 367636898 /nfs/dbraw/zinc/63/68/98/367636898.db2.gz ZVQVSNYXIRMOOI-GXTWGEPZSA-N 2 2 298.431 0.347 20 0 CCADLP C[C@H](NC(=O)NC[C@@H]1COCC[N@H+]1C)C1CC[NH+](C)CC1 ZINC000623724271 367636902 /nfs/dbraw/zinc/63/69/02/367636902.db2.gz ZVQVSNYXIRMOOI-GXTWGEPZSA-N 2 2 298.431 0.347 20 0 CCADLP C[C@@H](NC(=O)NC[C@@H]1COCC[N@@H+]1C)C1CC[NH+](C)CC1 ZINC000623724274 367637245 /nfs/dbraw/zinc/63/72/45/367637245.db2.gz ZVQVSNYXIRMOOI-TZMCWYRMSA-N 2 2 298.431 0.347 20 0 CCADLP C[C@@H](NC(=O)NC[C@@H]1COCC[N@H+]1C)C1CC[NH+](C)CC1 ZINC000623724274 367637251 /nfs/dbraw/zinc/63/72/51/367637251.db2.gz ZVQVSNYXIRMOOI-TZMCWYRMSA-N 2 2 298.431 0.347 20 0 CCADLP O[C@@H]1CC[N@H+](CC[NH2+]Cc2ccc(-n3cncn3)cc2)C1 ZINC000623758250 367646224 /nfs/dbraw/zinc/64/62/24/367646224.db2.gz UKIFAWZCTGOMHX-OAHLLOKOSA-N 2 2 287.367 0.424 20 0 CCADLP O[C@@H]1CC[N@@H+](CC[NH2+]Cc2ccc(-n3cncn3)cc2)C1 ZINC000623758250 367646231 /nfs/dbraw/zinc/64/62/31/367646231.db2.gz UKIFAWZCTGOMHX-OAHLLOKOSA-N 2 2 287.367 0.424 20 0 CCADLP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000623719130 367633350 /nfs/dbraw/zinc/63/33/50/367633350.db2.gz HTYQTUCTJCXTIN-ZIAGYGMSSA-N 2 2 298.431 0.348 20 0 CCADLP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000623719130 367633353 /nfs/dbraw/zinc/63/33/53/367633353.db2.gz HTYQTUCTJCXTIN-ZIAGYGMSSA-N 2 2 298.431 0.348 20 0 CCADLP CCC[NH+]1CC[C@H](CNC(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000623719130 367633359 /nfs/dbraw/zinc/63/33/59/367633359.db2.gz HTYQTUCTJCXTIN-ZIAGYGMSSA-N 2 2 298.431 0.348 20 0 CCADLP CCC[NH+]1CC[C@H](CNC(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000623719130 367633364 /nfs/dbraw/zinc/63/33/64/367633364.db2.gz HTYQTUCTJCXTIN-ZIAGYGMSSA-N 2 2 298.431 0.348 20 0 CCADLP Cc1cccn2c(C[NH2+][C@@H]3CCOC[C@H]3O)c[nH+]c12 ZINC000623765441 367652741 /nfs/dbraw/zinc/65/27/41/367652741.db2.gz UAJLPIDZJZFIGR-CHWSQXEVSA-N 2 2 261.325 0.882 20 0 CCADLP Nc1nc(N2CC[NH+](CCc3ccccc3)CC2)nc(N)[nH+]1 ZINC000623822575 367668725 /nfs/dbraw/zinc/66/87/25/367668725.db2.gz QKWSXYOFQGSPSU-UHFFFAOYSA-N 2 2 299.382 0.061 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H](CO)c2ccnn2C)[C@H](C)C1 ZINC000624017687 367726653 /nfs/dbraw/zinc/72/66/53/367726653.db2.gz CRSMCZXVUUSKGC-AGIUHOORSA-N 2 2 266.389 0.773 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+][C@@H](CO)c2ccnn2C)[C@H](C)C1 ZINC000624017687 367726661 /nfs/dbraw/zinc/72/66/61/367726661.db2.gz CRSMCZXVUUSKGC-AGIUHOORSA-N 2 2 266.389 0.773 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)NC[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000624188408 367784016 /nfs/dbraw/zinc/78/40/16/367784016.db2.gz JWCRXAPLHWDGNB-ZDUSSCGKSA-N 2 2 293.415 0.994 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000624188408 367784019 /nfs/dbraw/zinc/78/40/19/367784019.db2.gz JWCRXAPLHWDGNB-ZDUSSCGKSA-N 2 2 293.415 0.994 20 0 CCADLP C[NH+]1CCOC[C@H]1CNC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000624194670 367786027 /nfs/dbraw/zinc/78/60/27/367786027.db2.gz MXLIXWQPSJKQHA-ZIAGYGMSSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH+]1CCOC[C@H]1CNC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000624194670 367786030 /nfs/dbraw/zinc/78/60/30/367786030.db2.gz MXLIXWQPSJKQHA-ZIAGYGMSSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH+]1CCC[C@H](CCNC(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000624194670 367786032 /nfs/dbraw/zinc/78/60/32/367786032.db2.gz MXLIXWQPSJKQHA-ZIAGYGMSSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH+]1CCC[C@H](CCNC(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000624194670 367786035 /nfs/dbraw/zinc/78/60/35/367786035.db2.gz MXLIXWQPSJKQHA-ZIAGYGMSSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656200097 412763872 /nfs/dbraw/zinc/76/38/72/412763872.db2.gz JMSGGUZGGYACON-MQYQWHSLSA-N 3 2 255.406 0.683 20 0 CCADLP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000656200323 412764010 /nfs/dbraw/zinc/76/40/10/412764010.db2.gz LSGRZPHWMXVWBU-FAAHXZRKSA-N 3 2 267.417 0.683 20 0 CCADLP COCC1(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000656199784 412764019 /nfs/dbraw/zinc/76/40/19/412764019.db2.gz DAXXQOVOEPMDGF-QWHCGFSZSA-N 2 2 254.374 0.770 20 0 CCADLP C(C[NH+]1CCC([NH+]2CCOCC2)CC1)OC[C@H]1CCCO1 ZINC000625548409 368241192 /nfs/dbraw/zinc/24/11/92/368241192.db2.gz CQRXDQCKKKCREU-MRXNPFEDSA-N 2 2 298.427 0.979 20 0 CCADLP CC(C)OC[C@@H](O)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625549029 368241885 /nfs/dbraw/zinc/24/18/85/368241885.db2.gz IMGXQEQMQPOUBB-HNNXBMFYSA-N 2 2 286.416 0.569 20 0 CCADLP C[NH+](C)[C@H]1C[C@@H](CNc2[nH+]cnc(-n3cccn3)c2N)C1 ZINC000656211383 412767969 /nfs/dbraw/zinc/76/79/69/412767969.db2.gz BHWWNVCYDOYEER-PHIMTYICSA-N 2 2 287.371 0.997 20 0 CCADLP CC(=O)NC[C@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000626159758 368466870 /nfs/dbraw/zinc/46/68/70/368466870.db2.gz TZGVJTOUACTLIV-HUUCEWRRSA-N 2 2 283.416 0.432 20 0 CCADLP CC(=O)NC[C@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000626159758 368466876 /nfs/dbraw/zinc/46/68/76/368466876.db2.gz TZGVJTOUACTLIV-HUUCEWRRSA-N 2 2 283.416 0.432 20 0 CCADLP CC(=O)NC[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000626159758 368466880 /nfs/dbraw/zinc/46/68/80/368466880.db2.gz TZGVJTOUACTLIV-HUUCEWRRSA-N 2 2 283.416 0.432 20 0 CCADLP CC(=O)NC[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000626159758 368466886 /nfs/dbraw/zinc/46/68/86/368466886.db2.gz TZGVJTOUACTLIV-HUUCEWRRSA-N 2 2 283.416 0.432 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000626940473 368690937 /nfs/dbraw/zinc/69/09/37/368690937.db2.gz ZOLPKFOOCYERCD-WOPDTQHZSA-N 2 2 265.361 0.711 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)NCCOCCC[NH3+] ZINC000626985131 368714378 /nfs/dbraw/zinc/71/43/78/368714378.db2.gz PKCUMRBLOPDKEW-UHFFFAOYSA-N 2 2 297.403 0.704 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000626929242 368684420 /nfs/dbraw/zinc/68/44/20/368684420.db2.gz RNYKZEGKXJBIPJ-WCQYABFASA-N 2 2 287.367 0.926 20 0 CCADLP CN(CCOCC[NH3+])C(=O)NCCCNc1cccc[nH+]1 ZINC000626938649 368688788 /nfs/dbraw/zinc/68/87/88/368688788.db2.gz VEOQLKNGBWTSMG-UHFFFAOYSA-N 2 2 295.387 0.500 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)N(C)CCOCC[NH3+])c2[nH+]ccn21 ZINC000627052669 368759018 /nfs/dbraw/zinc/75/90/18/368759018.db2.gz RUKLOSHPQMTFRS-MNOVXSKESA-N 2 2 281.360 0.506 20 0 CCADLP CCN(CC[NH3+])C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000627040099 368750858 /nfs/dbraw/zinc/75/08/58/368750858.db2.gz AGZKMDISWAWUCP-VIFPVBQESA-N 2 2 251.334 0.257 20 0 CCADLP CCN(CC[NH3+])C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000627040099 368750861 /nfs/dbraw/zinc/75/08/61/368750861.db2.gz AGZKMDISWAWUCP-VIFPVBQESA-N 2 2 251.334 0.257 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)N(C)CCOCC[NH2+]C ZINC000627048677 368755317 /nfs/dbraw/zinc/75/53/17/368755317.db2.gz IOZABRHQXGLWHV-UHFFFAOYSA-N 2 2 283.376 0.280 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NCCOCCC[NH3+])c2[nH+]ccn21 ZINC000627052273 368757397 /nfs/dbraw/zinc/75/73/97/368757397.db2.gz MXOPDYYUWANPTK-MNOVXSKESA-N 2 2 281.360 0.554 20 0 CCADLP CCC([NH3+])(CC)CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627081565 368779654 /nfs/dbraw/zinc/77/96/54/368779654.db2.gz VJCYYRVXLRCBNJ-NSHDSACASA-N 2 2 272.393 0.134 20 0 CCADLP CCC([NH3+])(CC)CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000627081565 368779655 /nfs/dbraw/zinc/77/96/55/368779655.db2.gz VJCYYRVXLRCBNJ-NSHDSACASA-N 2 2 272.393 0.134 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000627089470 368788768 /nfs/dbraw/zinc/78/87/68/368788768.db2.gz MTCXFJMZKJULBW-CHWSQXEVSA-N 2 2 284.404 0.134 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000627089470 368788776 /nfs/dbraw/zinc/78/87/76/368788776.db2.gz MTCXFJMZKJULBW-CHWSQXEVSA-N 2 2 284.404 0.134 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)C(C)(C)[NH+]3CCOCC3)C[C@H]21 ZINC000627654453 369067209 /nfs/dbraw/zinc/06/72/09/369067209.db2.gz AFIOJPYBIYPGOR-ITGUQSILSA-N 2 2 281.400 0.116 20 0 CCADLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(N)=O ZINC000656259167 412775209 /nfs/dbraw/zinc/77/52/09/412775209.db2.gz YTHDYPMJLHKFON-ZYHUDNBSSA-N 2 2 255.362 0.093 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000627932338 369138474 /nfs/dbraw/zinc/13/84/74/369138474.db2.gz PZROJEZVSXHHOT-RUXDESIVSA-N 2 2 281.400 0.450 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000627932338 369138477 /nfs/dbraw/zinc/13/84/77/369138477.db2.gz PZROJEZVSXHHOT-RUXDESIVSA-N 2 2 281.400 0.450 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000330675939 203105735 /nfs/dbraw/zinc/10/57/35/203105735.db2.gz SWMUVFNYQGDLIV-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP CCC[N@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000330675939 203105737 /nfs/dbraw/zinc/10/57/37/203105737.db2.gz SWMUVFNYQGDLIV-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000628051626 369170971 /nfs/dbraw/zinc/17/09/71/369170971.db2.gz KVGVCDLSCINSRG-ZDUSSCGKSA-N 3 2 295.431 0.580 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000628051626 369170972 /nfs/dbraw/zinc/17/09/72/369170972.db2.gz KVGVCDLSCINSRG-ZDUSSCGKSA-N 3 2 295.431 0.580 20 0 CCADLP COCc1noc(C[NH+]2CCC(C[NH+](C)C)CC2)n1 ZINC000330694568 203125898 /nfs/dbraw/zinc/12/58/98/203125898.db2.gz IMSUBZXQGVNQJH-UHFFFAOYSA-N 2 2 268.361 0.990 20 0 CCADLP Cc1c[nH]c(CN2CCC([N@@H+](C)C[C@@H](C)O)CC2)[nH+]1 ZINC000628166119 369198311 /nfs/dbraw/zinc/19/83/11/369198311.db2.gz ZVQBKZUADVGGGM-GFCCVEGCSA-N 2 2 266.389 0.995 20 0 CCADLP Cc1c[nH]c(CN2CCC([N@H+](C)C[C@@H](C)O)CC2)[nH+]1 ZINC000628166119 369198317 /nfs/dbraw/zinc/19/83/17/369198317.db2.gz ZVQBKZUADVGGGM-GFCCVEGCSA-N 2 2 266.389 0.995 20 0 CCADLP Cc1cccc2[nH+]cc(CN3CC[N@@H+]4C[C@H](O)C[C@H]4C3)n21 ZINC000656273985 412776710 /nfs/dbraw/zinc/77/67/10/412776710.db2.gz VCWOHJBFUYZCKD-DZGCQCFKSA-N 2 2 286.379 0.894 20 0 CCADLP Cc1cccc2[nH+]cc(CN3CC[N@H+]4C[C@H](O)C[C@H]4C3)n21 ZINC000656273985 412776715 /nfs/dbraw/zinc/77/67/15/412776715.db2.gz VCWOHJBFUYZCKD-DZGCQCFKSA-N 2 2 286.379 0.894 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000628911900 369443139 /nfs/dbraw/zinc/44/31/39/369443139.db2.gz COUMXYOJZRUCBE-OAHLLOKOSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000628911900 369443144 /nfs/dbraw/zinc/44/31/44/369443144.db2.gz COUMXYOJZRUCBE-OAHLLOKOSA-N 2 2 295.427 0.698 20 0 CCADLP CC[C@@H](C(=O)NC[C@H]1COCC[N@@H+]1C)[NH+](CC)CC ZINC000628915436 369451813 /nfs/dbraw/zinc/45/18/13/369451813.db2.gz BKWOUTKQUURMID-STQMWFEESA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@@H](C(=O)NC[C@H]1COCC[N@H+]1C)[NH+](CC)CC ZINC000628915436 369451819 /nfs/dbraw/zinc/45/18/19/369451819.db2.gz BKWOUTKQUURMID-STQMWFEESA-N 2 2 271.405 0.554 20 0 CCADLP [NH3+]CCC1CC[NH+](Cc2ncnn2CCF)CC1 ZINC000567280186 291472483 /nfs/dbraw/zinc/47/24/83/291472483.db2.gz SQABFZWPOYKMNL-UHFFFAOYSA-N 2 2 255.341 0.808 20 0 CCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@H]1COCC[N@H+]1C)CC2 ZINC000628923672 369471256 /nfs/dbraw/zinc/47/12/56/369471256.db2.gz RWHPSERMURQFRZ-GXTWGEPZSA-N 2 2 292.383 0.201 20 0 CCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@H]1COCC[N@@H+]1C)CC2 ZINC000628923672 369471259 /nfs/dbraw/zinc/47/12/59/369471259.db2.gz RWHPSERMURQFRZ-GXTWGEPZSA-N 2 2 292.383 0.201 20 0 CCADLP O[C@H](C[NH2+]Cc1ccn2cc[nH+]c2c1)C[NH+]1CCCC1 ZINC000629570367 369715772 /nfs/dbraw/zinc/71/57/72/369715772.db2.gz WNAJNDRCGWHGLY-CQSZACIVSA-N 3 2 274.368 0.881 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000629512601 369687739 /nfs/dbraw/zinc/68/77/39/369687739.db2.gz DCVSFICTLPOACJ-UPJWGTAASA-N 3 2 268.405 0.043 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000629512601 369687744 /nfs/dbraw/zinc/68/77/44/369687744.db2.gz DCVSFICTLPOACJ-UPJWGTAASA-N 3 2 268.405 0.043 20 0 CCADLP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000629512217 369688179 /nfs/dbraw/zinc/68/81/79/369688179.db2.gz CAAJBATWAMWKMK-IHRRRGAJSA-N 3 2 282.432 0.304 20 0 CCADLP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000629512217 369688183 /nfs/dbraw/zinc/68/81/83/369688183.db2.gz CAAJBATWAMWKMK-IHRRRGAJSA-N 3 2 282.432 0.304 20 0 CCADLP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1c[nH+]ccc1N ZINC000629521297 369690631 /nfs/dbraw/zinc/69/06/31/369690631.db2.gz POMACPOJFAXUEA-SNVBAGLBSA-N 3 2 250.346 0.653 20 0 CCADLP C[NH2+]CCOCC[NH2+][C@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000629530978 369692223 /nfs/dbraw/zinc/69/22/23/369692223.db2.gz WOWRVEMSFVVCMV-ZDUSSCGKSA-N 2 2 293.346 0.859 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC000629546248 369698975 /nfs/dbraw/zinc/69/89/75/369698975.db2.gz GDMVHERADWWBBT-ZIAGYGMSSA-N 2 2 297.443 0.992 20 0 CCADLP COc1ccncc1C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000629545257 369699306 /nfs/dbraw/zinc/69/93/06/369699306.db2.gz KXSQIIXHTQKURB-UHFFFAOYSA-N 2 2 251.330 0.294 20 0 CCADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000629546386 369699689 /nfs/dbraw/zinc/69/96/89/369699689.db2.gz UYFOLZGWBZJILU-ZYHUDNBSSA-N 2 2 283.397 0.607 20 0 CCADLP O=c1[nH]cccc1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000629548820 369701158 /nfs/dbraw/zinc/70/11/58/369701158.db2.gz ZIDLJIPVINBRKT-CHWSQXEVSA-N 2 2 263.341 0.644 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)[C@@H]1CCC[NH2+]1 ZINC000629555774 369704851 /nfs/dbraw/zinc/70/48/51/369704851.db2.gz DJVYKCHHRXZALE-KGYLQXTDSA-N 2 2 251.374 0.870 20 0 CCADLP CN(CC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)CC(F)F ZINC000629556642 369706825 /nfs/dbraw/zinc/70/68/25/369706825.db2.gz VWBHELKLVLIPRF-WCQYABFASA-N 2 2 277.359 0.540 20 0 CCADLP O=C(CC[NH2+]CC[N@H+]1CC[C@@H](O)C1)Nc1ccccc1 ZINC000629606507 369738126 /nfs/dbraw/zinc/73/81/26/369738126.db2.gz HWUPHWHTGZLSHE-CQSZACIVSA-N 2 2 277.368 0.671 20 0 CCADLP O=C(CC[NH2+]CC[N@@H+]1CC[C@@H](O)C1)Nc1ccccc1 ZINC000629606507 369738129 /nfs/dbraw/zinc/73/81/29/369738129.db2.gz HWUPHWHTGZLSHE-CQSZACIVSA-N 2 2 277.368 0.671 20 0 CCADLP CN(C(=O)CCc1c[nH+]cn1C)[C@H]1CCC[N@H+](C)C1 ZINC000276588572 193391576 /nfs/dbraw/zinc/39/15/76/193391576.db2.gz MQEBOSYPHSTMOV-ZDUSSCGKSA-N 2 2 264.373 0.905 20 0 CCADLP CN(C(=O)CCc1c[nH+]cn1C)[C@H]1CCC[N@@H+](C)C1 ZINC000276588572 193391578 /nfs/dbraw/zinc/39/15/78/193391578.db2.gz MQEBOSYPHSTMOV-ZDUSSCGKSA-N 2 2 264.373 0.905 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)CCc1c[nH+]cn1C ZINC000276527079 193368002 /nfs/dbraw/zinc/36/80/02/193368002.db2.gz DIUOUTBDUHAJPI-UHFFFAOYSA-N 2 2 282.388 0.437 20 0 CCADLP Cc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c(=O)n1C ZINC000629580284 369723372 /nfs/dbraw/zinc/72/33/72/369723372.db2.gz WBJVZTGEJGYBLM-CQSZACIVSA-N 2 2 279.384 0.240 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000629581174 369725279 /nfs/dbraw/zinc/72/52/79/369725279.db2.gz QHFZSIFNNILUDQ-JYJNAYRXSA-N 2 2 296.386 0.978 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCO[C@@H](CCF)C1 ZINC000629581174 369725281 /nfs/dbraw/zinc/72/52/81/369725281.db2.gz QHFZSIFNNILUDQ-JYJNAYRXSA-N 2 2 296.386 0.978 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1c2ccccc2C[C@@H]1O)C[NH+]1CCCC1 ZINC000629583152 369726615 /nfs/dbraw/zinc/72/66/15/369726615.db2.gz RXXYSBRXHGELBT-CWRNSKLLSA-N 2 2 276.380 0.691 20 0 CCADLP CCOC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000629601900 369736657 /nfs/dbraw/zinc/73/66/57/369736657.db2.gz OHAVVAYUSIMYHZ-UONOGXRCSA-N 2 2 256.390 0.990 20 0 CCADLP CCOC[C@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000629601900 369736661 /nfs/dbraw/zinc/73/66/61/369736661.db2.gz OHAVVAYUSIMYHZ-UONOGXRCSA-N 2 2 256.390 0.990 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCCNc1cccc[nH+]1 ZINC000629946319 369848738 /nfs/dbraw/zinc/84/87/38/369848738.db2.gz HHNBGDWOLKYQGK-UHFFFAOYSA-N 2 2 259.313 0.815 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000630409414 370103222 /nfs/dbraw/zinc/10/32/22/370103222.db2.gz QNGOWEWRBMVKGK-JTQLQIEISA-N 2 2 262.317 0.836 20 0 CCADLP Nc1nc(-n2cccn2)cc(N[C@@H]2CC[NH2+]C23CCC3)[nH+]1 ZINC000630521384 370142736 /nfs/dbraw/zinc/14/27/36/370142736.db2.gz MWPHCIGCGDEBPF-SNVBAGLBSA-N 2 2 285.355 0.771 20 0 CCADLP C[C@@H](O)[C@@H]1CCN(c2cc(NC3CC[NH2+]CC3)[nH+]cn2)C1 ZINC000630552889 370165818 /nfs/dbraw/zinc/16/58/18/370165818.db2.gz MKGPRDTWSGQBKK-VXGBXAGGSA-N 2 2 291.399 0.848 20 0 CCADLP C[C@@H](O)[C@@H]1CCN(c2cc(NC3CC[NH2+]CC3)nc[nH+]2)C1 ZINC000630552889 370165823 /nfs/dbraw/zinc/16/58/23/370165823.db2.gz MKGPRDTWSGQBKK-VXGBXAGGSA-N 2 2 291.399 0.848 20 0 CCADLP OC[C@H]1CCCN(c2cc(N3C[C@@H]4C[C@H]3C[NH2+]4)nc[nH+]2)C1 ZINC000630553850 370165858 /nfs/dbraw/zinc/16/58/58/370165858.db2.gz MBKOPQSCHYVFRR-AVGNSLFASA-N 2 2 289.383 0.236 20 0 CCADLP Cc1nc(NC[C@H](c2ccccc2)[NH+](C)C)nc(N)[nH+]1 ZINC000631035775 370365641 /nfs/dbraw/zinc/36/56/41/370365641.db2.gz WOPIXNJZBLFCKJ-GFCCVEGCSA-N 2 2 272.356 0.729 20 0 CCADLP Cc1nc(NC[C@H](Cc2ccccc2)[NH+](C)C)nc(N)[nH+]1 ZINC000631040708 370366673 /nfs/dbraw/zinc/36/66/73/370366673.db2.gz BRBFUSUVBYDYHI-ZDUSSCGKSA-N 2 2 286.383 0.599 20 0 CCADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)C1 ZINC000631067956 370375426 /nfs/dbraw/zinc/37/54/26/370375426.db2.gz CESCIABQOCMYSC-ZIAGYGMSSA-N 2 2 293.415 0.746 20 0 CCADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)C1 ZINC000631067956 370375432 /nfs/dbraw/zinc/37/54/32/370375432.db2.gz CESCIABQOCMYSC-ZIAGYGMSSA-N 2 2 293.415 0.746 20 0 CCADLP Cc1cc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)on1 ZINC000631074296 370376647 /nfs/dbraw/zinc/37/66/47/370376647.db2.gz XRZQYDUXPIWWLE-CQSZACIVSA-N 2 2 294.399 0.479 20 0 CCADLP Cc1nc(NCC2CCN(c3cc[nH+]cc3)CC2)nc(N)[nH+]1 ZINC000631194204 370417210 /nfs/dbraw/zinc/41/72/10/370417210.db2.gz SNEIMFFYXLHBHH-UHFFFAOYSA-N 2 2 299.382 0.738 20 0 CCADLP Cc1nc(N)nc(NCC2CCN(c3cc[nH+]cc3)CC2)[nH+]1 ZINC000631194204 370417214 /nfs/dbraw/zinc/41/72/14/370417214.db2.gz SNEIMFFYXLHBHH-UHFFFAOYSA-N 2 2 299.382 0.738 20 0 CCADLP COc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(F)c1 ZINC000632965541 371341744 /nfs/dbraw/zinc/34/17/44/371341744.db2.gz MEEZMMKDWMDFJP-JTQLQIEISA-N 2 2 296.346 0.941 20 0 CCADLP COc1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c(F)c1 ZINC000632965541 371341748 /nfs/dbraw/zinc/34/17/48/371341748.db2.gz MEEZMMKDWMDFJP-JTQLQIEISA-N 2 2 296.346 0.941 20 0 CCADLP CCC1([NH+](C)C)CC[NH+](CC(=O)N2CCNC2=O)CC1 ZINC000640037101 376206203 /nfs/dbraw/zinc/20/62/03/376206203.db2.gz PODUDQVIQYENCH-UHFFFAOYSA-N 2 2 282.388 0.344 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)NC1CC[NH+](C)CC1 ZINC000633074638 371383946 /nfs/dbraw/zinc/38/39/46/371383946.db2.gz TZJLWEOSWMLRKX-UHFFFAOYSA-N 2 2 251.334 0.645 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000633076518 371384527 /nfs/dbraw/zinc/38/45/27/371384527.db2.gz WJPVUKOSWVBCAG-CYBMUJFWSA-N 2 2 297.428 0.988 20 0 CCADLP C[C@@H](CC(=O)NC[C@@H](O)C[NH+]1CCCCC1)n1cc[nH+]c1 ZINC000633480736 371566586 /nfs/dbraw/zinc/56/65/86/371566586.db2.gz CAMGPLVXFZBYOP-UONOGXRCSA-N 2 2 294.399 0.797 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000633481143 371567626 /nfs/dbraw/zinc/56/76/26/371567626.db2.gz MOWBHGQKPSUBPX-GFCCVEGCSA-N 2 2 280.372 0.224 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000633481143 371567627 /nfs/dbraw/zinc/56/76/27/371567627.db2.gz MOWBHGQKPSUBPX-GFCCVEGCSA-N 2 2 280.372 0.224 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC[N@@H+]1C ZINC000634300580 372004689 /nfs/dbraw/zinc/00/46/89/372004689.db2.gz DKJVRFFSTGPVHW-CHWSQXEVSA-N 3 2 270.421 0.064 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC[N@H+]1C ZINC000634300580 372004697 /nfs/dbraw/zinc/00/46/97/372004697.db2.gz DKJVRFFSTGPVHW-CHWSQXEVSA-N 3 2 270.421 0.064 20 0 CCADLP CN1CCCC[C@@H]([N@@H+](C)CCn2cc[nH+]c2)C1=O ZINC000634743110 372187533 /nfs/dbraw/zinc/18/75/33/372187533.db2.gz JWHRBBJUGIESIO-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP CN1CCCC[C@@H]([N@H+](C)C[C@@H](O)C[NH+](C)C2CC2)C1=O ZINC000634743931 372188989 /nfs/dbraw/zinc/18/89/89/372188989.db2.gz JBYFECQCDPVTDM-UONOGXRCSA-N 2 2 283.416 0.384 20 0 CCADLP CN1CCCC[C@@H]([N@@H+](C)C[C@@H](O)C[NH+](C)C2CC2)C1=O ZINC000634743931 372188994 /nfs/dbraw/zinc/18/89/94/372188994.db2.gz JBYFECQCDPVTDM-UONOGXRCSA-N 2 2 283.416 0.384 20 0 CCADLP CN1CCCC[C@@H]([NH+](C)C[C@@H](O)C[N@H+](C)C2CC2)C1=O ZINC000634743931 372189003 /nfs/dbraw/zinc/18/90/03/372189003.db2.gz JBYFECQCDPVTDM-UONOGXRCSA-N 2 2 283.416 0.384 20 0 CCADLP CN1CCCC[C@@H]([NH+](C)C[C@@H](O)C[N@@H+](C)C2CC2)C1=O ZINC000634743931 372189011 /nfs/dbraw/zinc/18/90/11/372189011.db2.gz JBYFECQCDPVTDM-UONOGXRCSA-N 2 2 283.416 0.384 20 0 CCADLP c1nc(N2CCC[C@H]3C[NH2+]C[C@H]32)cc(N2CCOCC2)[nH+]1 ZINC000634811026 372254677 /nfs/dbraw/zinc/25/46/77/372254677.db2.gz QKSZKUPANWHDMX-QWHCGFSZSA-N 2 2 289.383 0.501 20 0 CCADLP C[C@H](O)CNc1cc(N(C)[C@H](C[NH3+])C2CC2)nc[nH+]1 ZINC000634811915 372256478 /nfs/dbraw/zinc/25/64/78/372256478.db2.gz UKTHFOIVXOOAGP-GXSJLCMTSA-N 2 2 265.361 0.443 20 0 CCADLP C[NH+]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)CC1 ZINC000635056450 372356569 /nfs/dbraw/zinc/35/65/69/372356569.db2.gz AZNSSSPDCVYCTI-UHFFFAOYSA-N 2 2 286.335 0.966 20 0 CCADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000635312284 372456242 /nfs/dbraw/zinc/45/62/42/372456242.db2.gz JEMJMAOHGKOLPY-GFCCVEGCSA-N 2 2 294.399 0.886 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635312574 372456512 /nfs/dbraw/zinc/45/65/12/372456512.db2.gz DBEKPYZNEPIGJN-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635312574 372456515 /nfs/dbraw/zinc/45/65/15/372456515.db2.gz DBEKPYZNEPIGJN-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635327413 372462859 /nfs/dbraw/zinc/46/28/59/372462859.db2.gz VKXVGVNLLLBNJG-NEPJUHHUSA-N 2 2 250.346 0.730 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635327413 372462867 /nfs/dbraw/zinc/46/28/67/372462867.db2.gz VKXVGVNLLLBNJG-NEPJUHHUSA-N 2 2 250.346 0.730 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[NH+](C3CC3)CC2)[nH+]1 ZINC000635438621 372513049 /nfs/dbraw/zinc/51/30/49/372513049.db2.gz LJIKSIXFPAKFFY-UHFFFAOYSA-N 2 2 262.357 0.821 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CC[NH+]2C2CCCC2)CCO1 ZINC000635464671 372533139 /nfs/dbraw/zinc/53/31/39/372533139.db2.gz IBYWAUHUOUCFFC-HIFRSBDPSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CC[NH+]2C2CCCC2)CCO1 ZINC000635464671 372533145 /nfs/dbraw/zinc/53/31/45/372533145.db2.gz IBYWAUHUOUCFFC-HIFRSBDPSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)CCO1 ZINC000635464671 372533149 /nfs/dbraw/zinc/53/31/49/372533149.db2.gz IBYWAUHUOUCFFC-HIFRSBDPSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CC[N@H+]2C2CCCC2)CCO1 ZINC000635464671 372533154 /nfs/dbraw/zinc/53/31/54/372533154.db2.gz IBYWAUHUOUCFFC-HIFRSBDPSA-N 2 2 295.427 0.840 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@H]2CCC[N@H+](CCOC)C2)[nH+]1 ZINC000635531160 372591486 /nfs/dbraw/zinc/59/14/86/372591486.db2.gz PBXBDQDXQNNJKI-ZDUSSCGKSA-N 2 2 294.399 0.742 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@H]2CCC[N@@H+](CCOC)C2)[nH+]1 ZINC000635531160 372591494 /nfs/dbraw/zinc/59/14/94/372591494.db2.gz PBXBDQDXQNNJKI-ZDUSSCGKSA-N 2 2 294.399 0.742 20 0 CCADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+](C)C ZINC000635551959 372617439 /nfs/dbraw/zinc/61/74/39/372617439.db2.gz QMVCRRIDPABYBV-CHWSQXEVSA-N 3 2 282.432 0.221 20 0 CCADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+](C)C ZINC000635551959 372617444 /nfs/dbraw/zinc/61/74/44/372617444.db2.gz QMVCRRIDPABYBV-CHWSQXEVSA-N 3 2 282.432 0.221 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@@H](C)C[NH+]2CCOCC2)[nH+]1 ZINC000635592217 372665338 /nfs/dbraw/zinc/66/53/38/372665338.db2.gz SDOSVCQUHUKAQN-GFCCVEGCSA-N 2 2 294.399 0.599 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000333076066 205008853 /nfs/dbraw/zinc/00/88/53/205008853.db2.gz PNZPZDXIPCZKPI-NWDGAFQWSA-N 2 2 278.356 0.207 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000333076066 205008858 /nfs/dbraw/zinc/00/88/58/205008858.db2.gz PNZPZDXIPCZKPI-NWDGAFQWSA-N 2 2 278.356 0.207 20 0 CCADLP C[NH+](C)CC1(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000635617462 372691253 /nfs/dbraw/zinc/69/12/53/372691253.db2.gz GANPASPFPGMYBH-AWEZNQCLSA-N 2 2 295.427 0.651 20 0 CCADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)C(=O)NC[C@@H]1CCCO1 ZINC000333192764 205106529 /nfs/dbraw/zinc/10/65/29/205106529.db2.gz AHDYLBKEQIBNNC-IKOXMDCHSA-N 2 2 283.416 0.646 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000333239286 205145902 /nfs/dbraw/zinc/14/59/02/205145902.db2.gz DNKOQAPPJJIWDX-CRWXNKLISA-N 2 2 256.390 0.894 20 0 CCADLP C[C@H](C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)[NH+](C)C ZINC000635731946 372827138 /nfs/dbraw/zinc/82/71/38/372827138.db2.gz UBZOPYNHWUDVMX-NEPJUHHUSA-N 2 2 262.357 0.727 20 0 CCADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC000072858402 284353677 /nfs/dbraw/zinc/35/36/77/284353677.db2.gz CJTUKXJMOKMTNL-NWDGAFQWSA-N 2 2 296.415 0.637 20 0 CCADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC000072858402 284353681 /nfs/dbraw/zinc/35/36/81/284353681.db2.gz CJTUKXJMOKMTNL-NWDGAFQWSA-N 2 2 296.415 0.637 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC000072858402 284353684 /nfs/dbraw/zinc/35/36/84/284353684.db2.gz CJTUKXJMOKMTNL-NWDGAFQWSA-N 2 2 296.415 0.637 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC000072858402 284353686 /nfs/dbraw/zinc/35/36/86/284353686.db2.gz CJTUKXJMOKMTNL-NWDGAFQWSA-N 2 2 296.415 0.637 20 0 CCADLP CC[NH+](CC)CCOCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635794306 372917595 /nfs/dbraw/zinc/91/75/95/372917595.db2.gz JSZFXWSBGOHZQN-CHWSQXEVSA-N 2 2 294.399 0.988 20 0 CCADLP CC[NH+](CC)CCOCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635794306 372917603 /nfs/dbraw/zinc/91/76/03/372917603.db2.gz JSZFXWSBGOHZQN-CHWSQXEVSA-N 2 2 294.399 0.988 20 0 CCADLP Cc1cn2ccc(C(=O)NC[C@]3(O)CC[N@@H+](C)C3)cc2[nH+]1 ZINC000635800562 372927244 /nfs/dbraw/zinc/92/72/44/372927244.db2.gz AWADPJFUKSCALY-OAHLLOKOSA-N 2 2 288.351 0.439 20 0 CCADLP Cc1cn2ccc(C(=O)NC[C@]3(O)CC[N@H+](C)C3)cc2[nH+]1 ZINC000635800562 372927249 /nfs/dbraw/zinc/92/72/49/372927249.db2.gz AWADPJFUKSCALY-OAHLLOKOSA-N 2 2 288.351 0.439 20 0 CCADLP CCc1c[nH]c(CC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)[nH+]1 ZINC000635864653 373020189 /nfs/dbraw/zinc/02/01/89/373020189.db2.gz KHJFOLMHQDNQQH-PHIMTYICSA-N 2 2 262.357 0.535 20 0 CCADLP CCc1c[nH]c(CC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)[nH+]1 ZINC000635864653 373020193 /nfs/dbraw/zinc/02/01/93/373020193.db2.gz KHJFOLMHQDNQQH-PHIMTYICSA-N 2 2 262.357 0.535 20 0 CCADLP C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2C1 ZINC000635865390 373021887 /nfs/dbraw/zinc/02/18/87/373021887.db2.gz SYPDQANABPEVJW-WRWGMCAJSA-N 2 2 260.341 0.533 20 0 CCADLP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2C1 ZINC000635865390 373021890 /nfs/dbraw/zinc/02/18/90/373021890.db2.gz SYPDQANABPEVJW-WRWGMCAJSA-N 2 2 260.341 0.533 20 0 CCADLP C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2C1 ZINC000635865390 373021895 /nfs/dbraw/zinc/02/18/95/373021895.db2.gz SYPDQANABPEVJW-WRWGMCAJSA-N 2 2 260.341 0.533 20 0 CCADLP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2C1 ZINC000635865390 373021899 /nfs/dbraw/zinc/02/18/99/373021899.db2.gz SYPDQANABPEVJW-WRWGMCAJSA-N 2 2 260.341 0.533 20 0 CCADLP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635900593 373075031 /nfs/dbraw/zinc/07/50/31/373075031.db2.gz NDALKBBOLJTSEX-YNEHKIRRSA-N 2 2 289.383 0.019 20 0 CCADLP O=C(NC[C@H]1C[N@H+]2CCN1CCC2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635900593 373075041 /nfs/dbraw/zinc/07/50/41/373075041.db2.gz NDALKBBOLJTSEX-YNEHKIRRSA-N 2 2 289.383 0.019 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000635987288 373210620 /nfs/dbraw/zinc/21/06/20/373210620.db2.gz VGOWPLYDSYGECX-LLVKDONJSA-N 2 2 273.340 0.944 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)C2(C[NH+](C)C)CC2)c1 ZINC000636015683 373250177 /nfs/dbraw/zinc/25/01/77/373250177.db2.gz NFJNKIOZWZJLLE-UHFFFAOYSA-N 2 2 250.346 0.421 20 0 CCADLP CCc1c[nH]c(CC(=O)NCC[C@@H](C)[NH+](C)C)[nH+]1 ZINC000636171642 373425179 /nfs/dbraw/zinc/42/51/79/373425179.db2.gz NVZQCFYCAQBVFX-SNVBAGLBSA-N 2 2 252.362 0.971 20 0 CCADLP CC[NH+](CC)CCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636445174 373599781 /nfs/dbraw/zinc/59/97/81/373599781.db2.gz CKGVZEKYTDGTMA-LLVKDONJSA-N 2 2 265.361 0.449 20 0 CCADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000636596378 373665983 /nfs/dbraw/zinc/66/59/83/373665983.db2.gz NANXPQGJTUBGPI-MRVWCRGKSA-N 2 2 289.383 0.734 20 0 CCADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000636596378 373665993 /nfs/dbraw/zinc/66/59/93/373665993.db2.gz NANXPQGJTUBGPI-MRVWCRGKSA-N 2 2 289.383 0.734 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289543748 197397162 /nfs/dbraw/zinc/39/71/62/197397162.db2.gz WWRPOCDRIMOZMH-LLVKDONJSA-N 2 2 276.344 0.483 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289543748 197397163 /nfs/dbraw/zinc/39/71/63/197397163.db2.gz WWRPOCDRIMOZMH-LLVKDONJSA-N 2 2 276.344 0.483 20 0 CCADLP C[C@H](NC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1=CC[N@@H+](C)CC1 ZINC000637033953 373889685 /nfs/dbraw/zinc/88/96/85/373889685.db2.gz NQMSEPLLWWSIKX-WCQYABFASA-N 2 2 289.383 0.757 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000637145956 373954621 /nfs/dbraw/zinc/95/46/21/373954621.db2.gz MJHXHDTWHOGQAF-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000637145956 373954631 /nfs/dbraw/zinc/95/46/31/373954631.db2.gz MJHXHDTWHOGQAF-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637145956 373954641 /nfs/dbraw/zinc/95/46/41/373954641.db2.gz MJHXHDTWHOGQAF-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637145956 373954652 /nfs/dbraw/zinc/95/46/52/373954652.db2.gz MJHXHDTWHOGQAF-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)c2[nH+]ccn21 ZINC000637197279 373996219 /nfs/dbraw/zinc/99/62/19/373996219.db2.gz HVFACGSJEOIQGD-QJPTWQEYSA-N 2 2 293.371 0.255 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)c2[nH+]ccn21 ZINC000637197279 373996226 /nfs/dbraw/zinc/99/62/26/373996226.db2.gz HVFACGSJEOIQGD-QJPTWQEYSA-N 2 2 293.371 0.255 20 0 CCADLP C[N@H+](CCCCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000637209839 374010516 /nfs/dbraw/zinc/01/05/16/374010516.db2.gz IUHOQKKKTFPMGJ-GFCCVEGCSA-N 2 2 291.399 0.981 20 0 CCADLP C[N@@H+](CCCCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000637209839 374010522 /nfs/dbraw/zinc/01/05/22/374010522.db2.gz IUHOQKKKTFPMGJ-GFCCVEGCSA-N 2 2 291.399 0.981 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCC[NH2+]C1CC1 ZINC000637318211 374102044 /nfs/dbraw/zinc/10/20/44/374102044.db2.gz VTEHEKBEEMJFPL-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)NC[C@H]1COCC[NH+]1C ZINC000637440169 374153791 /nfs/dbraw/zinc/15/37/91/374153791.db2.gz GRFLUAWKPKGJQK-STQMWFEESA-N 2 2 284.404 0.053 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@H]1COCC[NH+]1C ZINC000637440169 374153797 /nfs/dbraw/zinc/15/37/97/374153797.db2.gz GRFLUAWKPKGJQK-STQMWFEESA-N 2 2 284.404 0.053 20 0 CCADLP CC[C@H]1C[NH+](C)CCN1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637440169 374153805 /nfs/dbraw/zinc/15/38/05/374153805.db2.gz GRFLUAWKPKGJQK-STQMWFEESA-N 2 2 284.404 0.053 20 0 CCADLP CC[C@H]1C[NH+](C)CCN1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000637440169 374153809 /nfs/dbraw/zinc/15/38/09/374153809.db2.gz GRFLUAWKPKGJQK-STQMWFEESA-N 2 2 284.404 0.053 20 0 CCADLP C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000637441631 374160493 /nfs/dbraw/zinc/16/04/93/374160493.db2.gz APXRQNSVCXTOSV-CHWSQXEVSA-N 2 2 284.404 0.053 20 0 CCADLP C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000637441631 374160496 /nfs/dbraw/zinc/16/04/96/374160496.db2.gz APXRQNSVCXTOSV-CHWSQXEVSA-N 2 2 284.404 0.053 20 0 CCADLP CN(C(=O)NC[C@@H]1COCC[NH+]1C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000637442320 374164828 /nfs/dbraw/zinc/16/48/28/374164828.db2.gz DRYDYFWXTYMWQE-ZIAGYGMSSA-N 2 2 296.415 0.195 20 0 CCADLP CN(C(=O)NC[C@@H]1COCC[NH+]1C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000637442320 374164845 /nfs/dbraw/zinc/16/48/45/374164845.db2.gz DRYDYFWXTYMWQE-ZIAGYGMSSA-N 2 2 296.415 0.195 20 0 CCADLP CN(C(=O)NC[C@@H]1COCC[N@@H+]1C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000637442320 374164853 /nfs/dbraw/zinc/16/48/53/374164853.db2.gz DRYDYFWXTYMWQE-ZIAGYGMSSA-N 2 2 296.415 0.195 20 0 CCADLP CN(C(=O)NC[C@@H]1COCC[N@H+]1C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000637442320 374164856 /nfs/dbraw/zinc/16/48/56/374164856.db2.gz DRYDYFWXTYMWQE-ZIAGYGMSSA-N 2 2 296.415 0.195 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1cccnc1 ZINC000656544127 412820357 /nfs/dbraw/zinc/82/03/57/412820357.db2.gz KEEFDYFFDWZAQB-UHFFFAOYSA-N 2 2 293.415 0.764 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1cccnc1 ZINC000656544127 412820360 /nfs/dbraw/zinc/82/03/60/412820360.db2.gz KEEFDYFFDWZAQB-UHFFFAOYSA-N 2 2 293.415 0.764 20 0 CCADLP COC[C@H](C)NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000656543508 412821200 /nfs/dbraw/zinc/82/12/00/412821200.db2.gz REAHAMVYRFGMDW-LBPRGKRZSA-N 2 2 274.409 0.204 20 0 CCADLP COC[C@H](C)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000656543508 412821203 /nfs/dbraw/zinc/82/12/03/412821203.db2.gz REAHAMVYRFGMDW-LBPRGKRZSA-N 2 2 274.409 0.204 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000637847868 374402731 /nfs/dbraw/zinc/40/27/31/374402731.db2.gz PQLVKPYRUMEESZ-SKDRFNHKSA-N 2 2 250.346 0.846 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)[nH+]1 ZINC000637858477 374417391 /nfs/dbraw/zinc/41/73/91/374417391.db2.gz FEZQYNQQTYZRMY-NEPJUHHUSA-N 2 2 262.357 0.868 20 0 CCADLP C[N@@H+](Cc1cnc(N)nc1N)C[C@H]1CCC[NH+](C)C1 ZINC000637929917 374483280 /nfs/dbraw/zinc/48/32/80/374483280.db2.gz JBBZCYIGZGCXNK-JTQLQIEISA-N 2 2 264.377 0.075 20 0 CCADLP C[N@H+](Cc1cnc(N)nc1N)C[C@H]1CCC[NH+](C)C1 ZINC000637929917 374483283 /nfs/dbraw/zinc/48/32/83/374483283.db2.gz JBBZCYIGZGCXNK-JTQLQIEISA-N 2 2 264.377 0.075 20 0 CCADLP C[NH+](Cc1cnc(N)nc1N)C[C@H]1CCC[N@H+](C)C1 ZINC000637929917 374483288 /nfs/dbraw/zinc/48/32/88/374483288.db2.gz JBBZCYIGZGCXNK-JTQLQIEISA-N 2 2 264.377 0.075 20 0 CCADLP C[NH+](Cc1cnc(N)nc1N)C[C@H]1CCC[N@@H+](C)C1 ZINC000637929917 374483292 /nfs/dbraw/zinc/48/32/92/374483292.db2.gz JBBZCYIGZGCXNK-JTQLQIEISA-N 2 2 264.377 0.075 20 0 CCADLP CN(Cc1c[nH+]c(N)nc1N)C[C@H]1CCC[N@H+](C)C1 ZINC000637929917 374483296 /nfs/dbraw/zinc/48/32/96/374483296.db2.gz JBBZCYIGZGCXNK-JTQLQIEISA-N 2 2 264.377 0.075 20 0 CCADLP CN(Cc1c[nH+]c(N)nc1N)C[C@H]1CCC[N@@H+](C)C1 ZINC000637929917 374483300 /nfs/dbraw/zinc/48/33/00/374483300.db2.gz JBBZCYIGZGCXNK-JTQLQIEISA-N 2 2 264.377 0.075 20 0 CCADLP CCC1(C[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)COC1 ZINC000574512067 335025072 /nfs/dbraw/zinc/02/50/72/335025072.db2.gz FTGUSPXEVOJXLO-IHRRRGAJSA-N 2 2 286.416 0.473 20 0 CCADLP Nc1ncc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(N)n1 ZINC000638019045 374563244 /nfs/dbraw/zinc/56/32/44/374563244.db2.gz XLJOTLMZKQRHRR-NSHDSACASA-N 2 2 273.344 0.335 20 0 CCADLP Nc1ncc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(N)n1 ZINC000638019045 374563247 /nfs/dbraw/zinc/56/32/47/374563247.db2.gz XLJOTLMZKQRHRR-NSHDSACASA-N 2 2 273.344 0.335 20 0 CCADLP CC(C)CC[C@H]([NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000638047930 374589664 /nfs/dbraw/zinc/58/96/64/374589664.db2.gz KRPAWSZFXLIZGO-LBPRGKRZSA-N 2 2 257.378 0.198 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H]([NH3+])Cc2cccc(OC)c2)CC1 ZINC000638047829 374590416 /nfs/dbraw/zinc/59/04/16/374590416.db2.gz UTMJPRSODKKERY-HNNXBMFYSA-N 2 2 291.395 0.729 20 0 CCADLP CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000638051538 374594293 /nfs/dbraw/zinc/59/42/93/374594293.db2.gz KKYJHVDVUCITQU-DOMZBBRYSA-N 2 2 288.351 0.718 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000638056854 374600249 /nfs/dbraw/zinc/60/02/49/374600249.db2.gz NXXJQMKPYLARFQ-LBPRGKRZSA-N 2 2 292.383 0.532 20 0 CCADLP C[C@@H](CNC(=O)[C@H]([NH3+])CN(C)Cc1ccccc1)[NH+](C)C ZINC000638079157 374638177 /nfs/dbraw/zinc/63/81/77/374638177.db2.gz BIZPUXMZRCVXGX-DZGCQCFKSA-N 2 2 292.427 0.512 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000638061345 374607413 /nfs/dbraw/zinc/60/74/13/374607413.db2.gz CMECQWDQDWFEOI-UHFFFAOYSA-N 2 2 263.341 0.967 20 0 CCADLP C[C@@H](CNC(=O)CCC1C[NH2+]C1)Cn1cc[nH+]c1 ZINC000638074745 374628859 /nfs/dbraw/zinc/62/88/59/374628859.db2.gz AMEDAENUMOZTQE-NSHDSACASA-N 2 2 250.346 0.635 20 0 CCADLP COc1cc[nH+]cc1NC(=O)[C@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638091512 374653630 /nfs/dbraw/zinc/65/36/30/374653630.db2.gz WUNPZRFLIXCXLK-ZANVPECISA-N 2 2 265.313 0.796 20 0 CCADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCn3c(C)c(C)[nH+]c3C2)C1 ZINC000638097484 374659460 /nfs/dbraw/zinc/65/94/60/374659460.db2.gz UMEAHWDACANORM-WFASDCNBSA-N 2 2 292.383 0.609 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)[nH+]1 ZINC000638176572 374761798 /nfs/dbraw/zinc/76/17/98/374761798.db2.gz DGGFJNPWGCIRGK-ONGXEEELSA-N 2 2 250.346 0.629 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)[nH+]1 ZINC000638201727 374783033 /nfs/dbraw/zinc/78/30/33/374783033.db2.gz XEMPKLMCUOEFFM-MWLCHTKSSA-N 2 2 250.346 0.901 20 0 CCADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)N(C)Cc2[nH+]ccn2C)C1 ZINC000638270711 374871978 /nfs/dbraw/zinc/87/19/78/374871978.db2.gz GOYWWAKWPLYYAZ-GWCFXTLKSA-N 2 2 266.345 0.146 20 0 CCADLP [NH3+][C@@H]1CC=C(C(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000638272822 374876234 /nfs/dbraw/zinc/87/62/34/374876234.db2.gz VGFSVWVLMIEDIV-OAHLLOKOSA-N 2 2 286.379 0.773 20 0 CCADLP O=C(CN1CC[NH2+]CC1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000638274383 374878542 /nfs/dbraw/zinc/87/85/42/374878542.db2.gz FNESAEJUBKAUQH-GFCCVEGCSA-N 2 2 277.372 0.369 20 0 CCADLP C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1C[NH3+] ZINC000638344688 374946246 /nfs/dbraw/zinc/94/62/46/374946246.db2.gz VARCCKUAQXULSN-WRWGMCAJSA-N 2 2 262.357 0.957 20 0 CCADLP C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1C[NH3+] ZINC000638344688 374946248 /nfs/dbraw/zinc/94/62/48/374946248.db2.gz VARCCKUAQXULSN-WRWGMCAJSA-N 2 2 262.357 0.957 20 0 CCADLP CO[C@@H](C[NH2+]CCn1cc[nH+]c1)C1CCOCC1 ZINC000638299603 374907506 /nfs/dbraw/zinc/90/75/06/374907506.db2.gz ZQKMTQBCDJDGFV-ZDUSSCGKSA-N 2 2 253.346 0.914 20 0 CCADLP CC1CC[NH+](CCC[NH2+]Cc2cnc(N)nc2N)CC1 ZINC000638306956 374911476 /nfs/dbraw/zinc/91/14/76/374911476.db2.gz RHFGOMPRHQJVJG-UHFFFAOYSA-N 2 2 278.404 0.513 20 0 CCADLP Nc1ncc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c(N)n1 ZINC000638423961 375020416 /nfs/dbraw/zinc/02/04/16/375020416.db2.gz CSNQJUDYKYJLOI-UHFFFAOYSA-N 2 2 276.388 0.408 20 0 CCADLP CCN(CC[NH3+])C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000638517769 375110974 /nfs/dbraw/zinc/11/09/74/375110974.db2.gz DXZIXRBMTUFLIH-UHFFFAOYSA-N 2 2 293.415 0.439 20 0 CCADLP C[NH2+]CCOCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000638576859 375156316 /nfs/dbraw/zinc/15/63/16/375156316.db2.gz QWGVEIRXKXIPSQ-UHFFFAOYSA-N 2 2 280.372 0.114 20 0 CCADLP C[C@H](CS(C)(=O)=O)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638590115 375169856 /nfs/dbraw/zinc/16/98/56/375169856.db2.gz PMEZTWNRCVTZFU-LLVKDONJSA-N 2 2 292.445 0.244 20 0 CCADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2C)[C@]12CCCO2 ZINC000638593865 375175419 /nfs/dbraw/zinc/17/54/19/375175419.db2.gz ALZPQMPOBCNEOX-QKPAOTATSA-N 2 2 297.443 0.548 20 0 CCADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)[C@]12CCCO2 ZINC000638593865 375175428 /nfs/dbraw/zinc/17/54/28/375175428.db2.gz ALZPQMPOBCNEOX-QKPAOTATSA-N 2 2 297.443 0.548 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000638608806 375189436 /nfs/dbraw/zinc/18/94/36/375189436.db2.gz BXDNQOLCSHFJNS-OLZOCXBDSA-N 2 2 297.786 0.787 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000638608806 375189443 /nfs/dbraw/zinc/18/94/43/375189443.db2.gz BXDNQOLCSHFJNS-OLZOCXBDSA-N 2 2 297.786 0.787 20 0 CCADLP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638609159 375189830 /nfs/dbraw/zinc/18/98/30/375189830.db2.gz FCMWRTSVJTZMEM-TZMCWYRMSA-N 2 2 277.368 0.442 20 0 CCADLP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638609159 375189835 /nfs/dbraw/zinc/18/98/35/375189835.db2.gz FCMWRTSVJTZMEM-TZMCWYRMSA-N 2 2 277.368 0.442 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000638608809 375189971 /nfs/dbraw/zinc/18/99/71/375189971.db2.gz BXDNQOLCSHFJNS-STQMWFEESA-N 2 2 297.786 0.787 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000638608809 375189974 /nfs/dbraw/zinc/18/99/74/375189974.db2.gz BXDNQOLCSHFJNS-STQMWFEESA-N 2 2 297.786 0.787 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000638609114 375190128 /nfs/dbraw/zinc/19/01/28/375190128.db2.gz DUQXFENSHWKZQS-HIFRSBDPSA-N 2 2 277.368 0.307 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000638609114 375190134 /nfs/dbraw/zinc/19/01/34/375190134.db2.gz DUQXFENSHWKZQS-HIFRSBDPSA-N 2 2 277.368 0.307 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000638611768 375194429 /nfs/dbraw/zinc/19/44/29/375194429.db2.gz QFCYJDBPMOVPKJ-NWDGAFQWSA-N 2 2 269.389 0.211 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000638611768 375194436 /nfs/dbraw/zinc/19/44/36/375194436.db2.gz QFCYJDBPMOVPKJ-NWDGAFQWSA-N 2 2 269.389 0.211 20 0 CCADLP C[NH2+]CCC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000638731895 375325247 /nfs/dbraw/zinc/32/52/47/375325247.db2.gz RQZVSSLIAMRPHQ-CQSZACIVSA-N 2 2 292.383 0.008 20 0 CCADLP C[NH2+]CCC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000638731895 375325251 /nfs/dbraw/zinc/32/52/51/375325251.db2.gz RQZVSSLIAMRPHQ-CQSZACIVSA-N 2 2 292.383 0.008 20 0 CCADLP COCCC[N@H+](C)CC[NH2+][C@H](C)C[C@H]1CCCC(=O)N1 ZINC000638710113 375314275 /nfs/dbraw/zinc/31/42/75/375314275.db2.gz NDPVECLGLMUDKM-ZIAGYGMSSA-N 2 2 285.432 0.992 20 0 CCADLP COCCC[N@@H+](C)CC[NH2+][C@H](C)C[C@H]1CCCC(=O)N1 ZINC000638710113 375314283 /nfs/dbraw/zinc/31/42/83/375314283.db2.gz NDPVECLGLMUDKM-ZIAGYGMSSA-N 2 2 285.432 0.992 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cc2c(cn1)OCCO2 ZINC000638772248 375348701 /nfs/dbraw/zinc/34/87/01/375348701.db2.gz MFUDPXKWPWAWDS-CQSZACIVSA-N 2 2 281.356 0.255 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000638878844 375421114 /nfs/dbraw/zinc/42/11/14/375421114.db2.gz FAPAYQXSUFBUGU-HUUCEWRRSA-N 3 2 292.427 0.342 20 0 CCADLP Nc1ccc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)nc1 ZINC000638984751 375497116 /nfs/dbraw/zinc/49/71/16/375497116.db2.gz QLKUJTYHHIMRJE-UHFFFAOYSA-N 2 2 298.350 0.721 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986874 375500743 /nfs/dbraw/zinc/50/07/43/375500743.db2.gz GGCTYXQJVOESFB-ZDUSSCGKSA-N 3 2 291.399 0.803 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C1([NH3+])Cc2ccccc2C1 ZINC000639014047 375517142 /nfs/dbraw/zinc/51/71/42/375517142.db2.gz VPVLNNLCCRBMAN-UHFFFAOYSA-N 2 2 270.336 0.864 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@H]2CSC[NH2+]2)CC[N@@H+]1C ZINC000639018503 375523278 /nfs/dbraw/zinc/52/32/78/375523278.db2.gz MFFIWCKMBHPTMM-GHMZBOCLSA-N 2 2 257.403 0.448 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@H]2CSC[NH2+]2)CC[N@H+]1C ZINC000639018503 375523280 /nfs/dbraw/zinc/52/32/80/375523280.db2.gz MFFIWCKMBHPTMM-GHMZBOCLSA-N 2 2 257.403 0.448 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639018911 375523638 /nfs/dbraw/zinc/52/36/38/375523638.db2.gz ABWZVBDSWHWLHO-WCQYABFASA-N 2 2 262.357 0.861 20 0 CCADLP CO[C@H](C[N@@H+]1CC[NH+]2CCC1CC2)[C@@H]1CCOC1 ZINC000639171422 375616524 /nfs/dbraw/zinc/61/65/24/375616524.db2.gz CCFSRWLMESCQFH-TZMCWYRMSA-N 2 2 254.374 0.818 20 0 CCADLP CO[C@H](C[N@H+]1CC[NH+]2CCC1CC2)[C@@H]1CCOC1 ZINC000639171422 375616529 /nfs/dbraw/zinc/61/65/29/375616529.db2.gz CCFSRWLMESCQFH-TZMCWYRMSA-N 2 2 254.374 0.818 20 0 CCADLP C[C@@H]1C[C@@H](NCC[NH+]2CCCOCC2)CC[N@@H+]1C ZINC000639174563 375618691 /nfs/dbraw/zinc/61/86/91/375618691.db2.gz CFPXKWQOWQGTMV-KGLIPLIRSA-N 2 2 255.406 0.781 20 0 CCADLP C[C@@H]1C[C@@H](NCC[NH+]2CCCOCC2)CC[N@H+]1C ZINC000639174563 375618698 /nfs/dbraw/zinc/61/86/98/375618698.db2.gz CFPXKWQOWQGTMV-KGLIPLIRSA-N 2 2 255.406 0.781 20 0 CCADLP C[C@@H]1C[C@@H](NCC[N@@H+]2CCCOCC2)CC[NH+]1C ZINC000639174563 375618705 /nfs/dbraw/zinc/61/87/05/375618705.db2.gz CFPXKWQOWQGTMV-KGLIPLIRSA-N 2 2 255.406 0.781 20 0 CCADLP C[C@@H]1C[C@@H](NCC[N@H+]2CCCOCC2)CC[NH+]1C ZINC000639174563 375618711 /nfs/dbraw/zinc/61/87/11/375618711.db2.gz CFPXKWQOWQGTMV-KGLIPLIRSA-N 2 2 255.406 0.781 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(S(N)(=O)=O)o1 ZINC000639174484 375619451 /nfs/dbraw/zinc/61/94/51/375619451.db2.gz CULJGPDZWQZGMN-UHFFFAOYSA-N 2 2 298.368 0.646 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(S(N)(=O)=O)o1 ZINC000639174484 375619456 /nfs/dbraw/zinc/61/94/56/375619456.db2.gz CULJGPDZWQZGMN-UHFFFAOYSA-N 2 2 298.368 0.646 20 0 CCADLP CC[C@H](C)[NH+]1CCN(Cc2c[nH+]c(N)nc2N)CC1 ZINC000639234504 375652131 /nfs/dbraw/zinc/65/21/31/375652131.db2.gz IMFGMIDKSGVXJW-JTQLQIEISA-N 2 2 264.377 0.218 20 0 CCADLP CO[C@H](C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO)C1CC1 ZINC000639217100 375638163 /nfs/dbraw/zinc/63/81/63/375638163.db2.gz FNRYVNVWSVGPGX-UONOGXRCSA-N 2 2 256.390 0.848 20 0 CCADLP CO[C@H](C[NH2+]C[C@@H]1CCC[N@H+]1CCCO)C1CC1 ZINC000639217100 375638168 /nfs/dbraw/zinc/63/81/68/375638168.db2.gz FNRYVNVWSVGPGX-UONOGXRCSA-N 2 2 256.390 0.848 20 0 CCADLP O=C1C[C@@H]([NH2+][C@@H]2CCC[N@@H+](CCCO)C2)CCCN1 ZINC000639216923 375638177 /nfs/dbraw/zinc/63/81/77/375638177.db2.gz ADWLDWNWRSTBEO-QWHCGFSZSA-N 2 2 269.389 0.092 20 0 CCADLP O=C1C[C@@H]([NH2+][C@@H]2CCC[N@H+](CCCO)C2)CCCN1 ZINC000639216923 375638181 /nfs/dbraw/zinc/63/81/81/375638181.db2.gz ADWLDWNWRSTBEO-QWHCGFSZSA-N 2 2 269.389 0.092 20 0 CCADLP C[C@H](Cc1cnccn1)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000639219144 375641853 /nfs/dbraw/zinc/64/18/53/375641853.db2.gz PZIXOFJFDJIYET-HIFRSBDPSA-N 2 2 278.400 0.844 20 0 CCADLP C[C@H](Cc1cnccn1)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000639219144 375641860 /nfs/dbraw/zinc/64/18/60/375641860.db2.gz PZIXOFJFDJIYET-HIFRSBDPSA-N 2 2 278.400 0.844 20 0 CCADLP CC[C@@H]1C[N@H+](CC)CCN1Cc1c[nH+]c(N)nc1N ZINC000639251142 375663372 /nfs/dbraw/zinc/66/33/72/375663372.db2.gz XYXZNMMVXCPLAU-LLVKDONJSA-N 2 2 264.377 0.218 20 0 CCADLP CC[C@@H]1C[N@@H+](CC)CCN1Cc1c[nH+]c(N)nc1N ZINC000639251142 375663375 /nfs/dbraw/zinc/66/33/75/375663375.db2.gz XYXZNMMVXCPLAU-LLVKDONJSA-N 2 2 264.377 0.218 20 0 CCADLP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000639255989 375667262 /nfs/dbraw/zinc/66/72/62/375667262.db2.gz RJGGDIRMIXEJPS-NEPJUHHUSA-N 2 2 264.373 1.000 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000639654444 375890424 /nfs/dbraw/zinc/89/04/24/375890424.db2.gz LSNDUZGWYPCGEL-LLVKDONJSA-N 2 2 271.386 0.329 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000639654444 375890432 /nfs/dbraw/zinc/89/04/32/375890432.db2.gz LSNDUZGWYPCGEL-LLVKDONJSA-N 2 2 271.386 0.329 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCO[C@H](Cn2ccnn2)C1 ZINC000639858349 376086900 /nfs/dbraw/zinc/08/69/00/376086900.db2.gz RZYCYTZABUVDAZ-KBPBESRZSA-N 2 2 279.388 0.463 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCO[C@H](Cn2ccnn2)C1 ZINC000639858349 376086907 /nfs/dbraw/zinc/08/69/07/376086907.db2.gz RZYCYTZABUVDAZ-KBPBESRZSA-N 2 2 279.388 0.463 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000639858349 376086913 /nfs/dbraw/zinc/08/69/13/376086913.db2.gz RZYCYTZABUVDAZ-KBPBESRZSA-N 2 2 279.388 0.463 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000639858349 376086919 /nfs/dbraw/zinc/08/69/19/376086919.db2.gz RZYCYTZABUVDAZ-KBPBESRZSA-N 2 2 279.388 0.463 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000639854255 376078915 /nfs/dbraw/zinc/07/89/15/376078915.db2.gz FMBYIPIWFMZMAC-CQSZACIVSA-N 2 2 290.371 0.345 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000639854255 376078923 /nfs/dbraw/zinc/07/89/23/376078923.db2.gz FMBYIPIWFMZMAC-CQSZACIVSA-N 2 2 290.371 0.345 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000639855993 376083432 /nfs/dbraw/zinc/08/34/32/376083432.db2.gz QVEBKFPXGOAKTC-ZDUSSCGKSA-N 2 2 276.344 0.184 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000639855993 376083437 /nfs/dbraw/zinc/08/34/37/376083437.db2.gz QVEBKFPXGOAKTC-ZDUSSCGKSA-N 2 2 276.344 0.184 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)CC1=CCCC1 ZINC000640051116 376217333 /nfs/dbraw/zinc/21/73/33/376217333.db2.gz ICMLUKZKHMMWAE-UHFFFAOYSA-N 2 2 251.374 0.803 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)CC1=CCCC1 ZINC000640051116 376217337 /nfs/dbraw/zinc/21/73/37/376217337.db2.gz ICMLUKZKHMMWAE-UHFFFAOYSA-N 2 2 251.374 0.803 20 0 CCADLP CO[C@H](C[N@H+](C)CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000640051499 376217358 /nfs/dbraw/zinc/21/73/58/376217358.db2.gz OJVCPRRBMSFWJT-CYBMUJFWSA-N 2 2 269.389 0.117 20 0 CCADLP CO[C@H](C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000640051499 376217364 /nfs/dbraw/zinc/21/73/64/376217364.db2.gz OJVCPRRBMSFWJT-CYBMUJFWSA-N 2 2 269.389 0.117 20 0 CCADLP C[N@H+](CCCOC(C)(C)C)CC(=O)N1CC[NH+](C)CC1 ZINC000640057869 376220646 /nfs/dbraw/zinc/22/06/46/376220646.db2.gz GQGRXCACDWQBOZ-UHFFFAOYSA-N 2 2 285.432 0.897 20 0 CCADLP C[N@@H+](CCCOC(C)(C)C)CC(=O)N1CC[NH+](C)CC1 ZINC000640057869 376220649 /nfs/dbraw/zinc/22/06/49/376220649.db2.gz GQGRXCACDWQBOZ-UHFFFAOYSA-N 2 2 285.432 0.897 20 0 CCADLP C[N@H+](CCC1CCC1)CC(=O)N1CC[NH+](C)CC1 ZINC000640062650 376222271 /nfs/dbraw/zinc/22/22/71/376222271.db2.gz OLQIJLXMRHMIMF-UHFFFAOYSA-N 2 2 253.390 0.882 20 0 CCADLP C[N@@H+](CCC1CCC1)CC(=O)N1CC[NH+](C)CC1 ZINC000640062650 376222277 /nfs/dbraw/zinc/22/22/77/376222277.db2.gz OLQIJLXMRHMIMF-UHFFFAOYSA-N 2 2 253.390 0.882 20 0 CCADLP Cc1cncc(CC[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)n1 ZINC000640065221 376225110 /nfs/dbraw/zinc/22/51/10/376225110.db2.gz XFZXTXRJGHDWLC-UHFFFAOYSA-N 2 2 291.399 0.033 20 0 CCADLP Cc1cncc(CC[N@H+](C)CC(=O)N2CC[NH+](C)CC2)n1 ZINC000640065221 376225118 /nfs/dbraw/zinc/22/51/18/376225118.db2.gz XFZXTXRJGHDWLC-UHFFFAOYSA-N 2 2 291.399 0.033 20 0 CCADLP CN(C)c1cc(NC(=O)NCC[N@@H+]2CC[C@H](O)C2)cc[nH+]1 ZINC000640595333 376449202 /nfs/dbraw/zinc/44/92/02/376449202.db2.gz RNNUZRXQDPGKKH-LBPRGKRZSA-N 2 2 293.371 0.336 20 0 CCADLP CN(C)c1cc(NC(=O)NCC[N@H+]2CC[C@H](O)C2)cc[nH+]1 ZINC000640595333 376449210 /nfs/dbraw/zinc/44/92/10/376449210.db2.gz RNNUZRXQDPGKKH-LBPRGKRZSA-N 2 2 293.371 0.336 20 0 CCADLP COC[C@@H]([NH3+])Cc1cn(Cc2ccc(C)[nH+]c2C)nn1 ZINC000641096422 376777748 /nfs/dbraw/zinc/77/77/48/376777748.db2.gz STXXZJDZTAMNQN-ZDUSSCGKSA-N 2 2 275.356 0.854 20 0 CCADLP COC[C@@H]([NH3+])Cc1cn(Cc2c[nH+]ccc2OC)nn1 ZINC000641168819 376836824 /nfs/dbraw/zinc/83/68/24/376836824.db2.gz PMOMAGUFLMPIRZ-NSHDSACASA-N 2 2 277.328 0.246 20 0 CCADLP CC[NH+](CC)CCCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641248881 376938608 /nfs/dbraw/zinc/93/86/08/376938608.db2.gz AZBLRIIJGLLEMG-UHFFFAOYSA-N 2 2 288.417 0.534 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)Nc1cc[nH+]cc1F ZINC000641362051 377036147 /nfs/dbraw/zinc/03/61/47/377036147.db2.gz NBTJDXMCFRBEEQ-LLVKDONJSA-N 2 2 252.337 0.690 20 0 CCADLP Cc1cncnc1NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000641445959 377127091 /nfs/dbraw/zinc/12/70/91/377127091.db2.gz YKBXZTVNBDKFBQ-UHFFFAOYSA-N 2 2 263.389 0.645 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000641754245 377443152 /nfs/dbraw/zinc/44/31/52/377443152.db2.gz LJAOQBPAVDOBEF-ZDUSSCGKSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000641754245 377443154 /nfs/dbraw/zinc/44/31/54/377443154.db2.gz LJAOQBPAVDOBEF-ZDUSSCGKSA-N 2 2 298.431 0.443 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000641784251 377461869 /nfs/dbraw/zinc/46/18/69/377461869.db2.gz SOXNTVOKZHXDLA-UHFFFAOYSA-N 2 2 265.361 0.656 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000641784251 377461872 /nfs/dbraw/zinc/46/18/72/377461872.db2.gz SOXNTVOKZHXDLA-UHFFFAOYSA-N 2 2 265.361 0.656 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000641800003 377469206 /nfs/dbraw/zinc/46/92/06/377469206.db2.gz VKYLHOUNQZSKCB-CYBMUJFWSA-N 3 2 278.400 0.650 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000641800003 377469209 /nfs/dbraw/zinc/46/92/09/377469209.db2.gz VKYLHOUNQZSKCB-CYBMUJFWSA-N 3 2 278.400 0.650 20 0 CCADLP COC[C@@H](C(N)=O)[N@H+](C)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000641807935 377480874 /nfs/dbraw/zinc/48/08/74/377480874.db2.gz VXIMIOKDZIBBDY-OCCSQVGLSA-N 2 2 295.383 0.170 20 0 CCADLP COC[C@@H](C(N)=O)[N@@H+](C)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000641807935 377480877 /nfs/dbraw/zinc/48/08/77/377480877.db2.gz VXIMIOKDZIBBDY-OCCSQVGLSA-N 2 2 295.383 0.170 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2cc(=O)n(C)c(=O)n2C)[C@@H]1C ZINC000641808839 377480987 /nfs/dbraw/zinc/48/09/87/377480987.db2.gz OEZQLERXCSICMN-IJLUTSLNSA-N 2 2 294.399 0.032 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)[C@@H]1C ZINC000641808839 377480997 /nfs/dbraw/zinc/48/09/97/377480997.db2.gz OEZQLERXCSICMN-IJLUTSLNSA-N 2 2 294.399 0.032 20 0 CCADLP COC[C@H](C)CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000445935654 249029136 /nfs/dbraw/zinc/02/91/36/249029136.db2.gz SOZYFPQIRDDPPE-CYBMUJFWSA-N 2 2 285.432 0.801 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+]C(C)(C)C[NH+](C)C)no1 ZINC000459534380 249041402 /nfs/dbraw/zinc/04/14/02/249041402.db2.gz HYDYFHXMYKYQEM-UHFFFAOYSA-N 2 2 268.361 0.663 20 0 CCADLP Cc1cc(N)cc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000641994098 377528260 /nfs/dbraw/zinc/52/82/60/377528260.db2.gz OQWGIAIDOBLQQD-AWEZNQCLSA-N 2 2 291.399 0.362 20 0 CCADLP Cc1cc(N)cc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000641994098 377528265 /nfs/dbraw/zinc/52/82/65/377528265.db2.gz OQWGIAIDOBLQQD-AWEZNQCLSA-N 2 2 291.399 0.362 20 0 CCADLP C[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000515068854 249119687 /nfs/dbraw/zinc/11/96/87/249119687.db2.gz CWYARSYSPLFBDA-CHWSQXEVSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H](CN1CCOCC1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000514839378 249106886 /nfs/dbraw/zinc/10/68/86/249106886.db2.gz WFHHSBGXJJHYTK-ZIAGYGMSSA-N 2 2 278.400 0.930 20 0 CCADLP C[C@H](CN1CCOCC1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000514839378 249106890 /nfs/dbraw/zinc/10/68/90/249106890.db2.gz WFHHSBGXJJHYTK-ZIAGYGMSSA-N 2 2 278.400 0.930 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000516334218 249161619 /nfs/dbraw/zinc/16/16/19/249161619.db2.gz BPCBJJJYUYXHJI-KGLIPLIRSA-N 2 2 282.432 0.175 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000516334218 249161622 /nfs/dbraw/zinc/16/16/22/249161622.db2.gz BPCBJJJYUYXHJI-KGLIPLIRSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]Cc2ccn(C)c2)C[C@@H](C)O1 ZINC000515467226 249135638 /nfs/dbraw/zinc/13/56/38/249135638.db2.gz UBZMGNZRYPLLOT-UMVBOHGHSA-N 2 2 281.400 0.585 20 0 CCADLP CN1CC[C@H](C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1=O ZINC000515637239 249140523 /nfs/dbraw/zinc/14/05/23/249140523.db2.gz IMWPTJAUZNZHFB-WHOFXGATSA-N 2 2 281.400 0.211 20 0 CCADLP CCn1cc[nH+]c1CN(C(=O)C[NH3+])[C@H]1CC12CC[NH2+]CC2 ZINC000515847823 249146127 /nfs/dbraw/zinc/14/61/27/249146127.db2.gz MRDRVDKVGPPILY-LBPRGKRZSA-N 3 2 291.399 0.332 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000516937959 249191474 /nfs/dbraw/zinc/19/14/74/249191474.db2.gz QPMQLQMYDXURDU-NSHDSACASA-N 2 2 250.346 0.861 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000516937959 249191477 /nfs/dbraw/zinc/19/14/77/249191477.db2.gz QPMQLQMYDXURDU-NSHDSACASA-N 2 2 250.346 0.861 20 0 CCADLP C[C@H](CNC(=O)[C@H]([NH3+])c1cscn1)[NH+]1CCCC1 ZINC000517932551 249234774 /nfs/dbraw/zinc/23/47/74/249234774.db2.gz NGPKMPYNKQVMSH-MWLCHTKSSA-N 2 2 268.386 0.743 20 0 CCADLP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)NC[C@H]1CCCO1 ZINC000517371637 249215700 /nfs/dbraw/zinc/21/57/00/249215700.db2.gz DDEABFLBZOPPNQ-UKRRQHHQSA-N 2 2 281.400 0.357 20 0 CCADLP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)NC[C@H]1CCCO1 ZINC000517371637 249215704 /nfs/dbraw/zinc/21/57/04/249215704.db2.gz DDEABFLBZOPPNQ-UKRRQHHQSA-N 2 2 281.400 0.357 20 0 CCADLP C[N@@H+]1CCC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC000518660895 249256665 /nfs/dbraw/zinc/25/66/65/249256665.db2.gz GYSZAZLXCURUHU-LBPRGKRZSA-N 2 2 250.346 0.731 20 0 CCADLP C[N@H+]1CCC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC000518660895 249256667 /nfs/dbraw/zinc/25/66/67/249256667.db2.gz GYSZAZLXCURUHU-LBPRGKRZSA-N 2 2 250.346 0.731 20 0 CCADLP C[C@@H]([NH3+])CNc1cc(N2CCSCC2)[nH+]cn1 ZINC000643036023 377700883 /nfs/dbraw/zinc/70/08/83/377700883.db2.gz FYNLKFQHJVGSGQ-SECBINFHSA-N 2 2 253.375 0.789 20 0 CCADLP CNc1nc(N2C[C@H]3C[NH2+]C[C@H]3C2)[nH+]c2ccccc21 ZINC000643036737 377701380 /nfs/dbraw/zinc/70/13/80/377701380.db2.gz VTOVAJFRMPCFPS-PHIMTYICSA-N 2 2 269.352 0.749 20 0 CCADLP CCCCNC(=O)CC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643065707 377708874 /nfs/dbraw/zinc/70/88/74/377708874.db2.gz FKBHCZYTIYJWGQ-QWHCGFSZSA-N 2 2 253.390 0.977 20 0 CCADLP CCCCNC(=O)CC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643065707 377708879 /nfs/dbraw/zinc/70/88/79/377708879.db2.gz FKBHCZYTIYJWGQ-QWHCGFSZSA-N 2 2 253.390 0.977 20 0 CCADLP C[C@@H]1C[N@@H+](CCCNC(=O)CCc2[nH]cc[nH+]2)C[C@H](C)O1 ZINC000279199309 194328976 /nfs/dbraw/zinc/32/89/76/194328976.db2.gz MOPFAKJPVLTSEK-BETUJISGSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@@H]1C[N@H+](CCCNC(=O)CCc2[nH]cc[nH+]2)C[C@H](C)O1 ZINC000279199309 194328979 /nfs/dbraw/zinc/32/89/79/194328979.db2.gz MOPFAKJPVLTSEK-BETUJISGSA-N 2 2 294.399 0.958 20 0 CCADLP CCNC(=O)[C@H](C)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657293162 412952621 /nfs/dbraw/zinc/95/26/21/412952621.db2.gz UPHOSLKZQTZDFC-NSHDSACASA-N 2 2 273.340 0.882 20 0 CCADLP CCn1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)n1 ZINC000571073208 291789380 /nfs/dbraw/zinc/78/93/80/291789380.db2.gz GLUCSFASKYSHIO-KBPBESRZSA-N 2 2 264.373 0.760 20 0 CCADLP OC1CC[NH+](CCC[NH2+]Cc2cnn3c2CCC3)CC1 ZINC000657325188 412959993 /nfs/dbraw/zinc/95/99/93/412959993.db2.gz GSBJEQSODKLWMW-UHFFFAOYSA-N 2 2 278.400 0.766 20 0 CCADLP CC1(C)CN(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CC[NH2+]1 ZINC000334968631 207384074 /nfs/dbraw/zinc/38/40/74/207384074.db2.gz TYJKPDUMEOROME-JTQLQIEISA-N 2 2 290.358 0.625 20 0 CCADLP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000246235879 285011237 /nfs/dbraw/zinc/01/12/37/285011237.db2.gz NJCWBESLTOXUEM-UONOGXRCSA-N 2 2 298.431 0.347 20 0 CCADLP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000246235879 285011240 /nfs/dbraw/zinc/01/12/40/285011240.db2.gz NJCWBESLTOXUEM-UONOGXRCSA-N 2 2 298.431 0.347 20 0 CCADLP C[NH2+][C@H](C)CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000423626195 532999372 /nfs/dbraw/zinc/99/93/72/532999372.db2.gz GVPYBLODQMBQNU-DGCLKSJQSA-N 2 2 269.389 0.211 20 0 CCADLP C[NH2+][C@H](C)CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000423626195 532999377 /nfs/dbraw/zinc/99/93/77/532999377.db2.gz GVPYBLODQMBQNU-DGCLKSJQSA-N 2 2 269.389 0.211 20 0 CCADLP CCc1ccccc1CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000574808346 335048676 /nfs/dbraw/zinc/04/86/76/335048676.db2.gz FJCAIXLMLDMOLH-HNNXBMFYSA-N 2 2 275.396 0.893 20 0 CCADLP CCc1ccccc1CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000574808346 335048677 /nfs/dbraw/zinc/04/86/77/335048677.db2.gz FJCAIXLMLDMOLH-HNNXBMFYSA-N 2 2 275.396 0.893 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000418224132 533078218 /nfs/dbraw/zinc/07/82/18/533078218.db2.gz ZJPNFYZIKSYTHT-QWRGUYRKSA-N 2 2 278.356 0.982 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000418218621 533080708 /nfs/dbraw/zinc/08/07/08/533080708.db2.gz RAZJILXCENTQPP-LLVKDONJSA-N 2 2 266.345 0.873 20 0 CCADLP Cn1cnc2cc(C[NH2+]C[C@H]3C[NH2+]CCO3)ccc21 ZINC000258843512 285152938 /nfs/dbraw/zinc/15/29/38/285152938.db2.gz FGNVXZWSSYDBCO-GFCCVEGCSA-N 2 2 260.341 0.651 20 0 CCADLP CCCNC(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000572573862 291888377 /nfs/dbraw/zinc/88/83/77/291888377.db2.gz OBOWRNQZTMFDKE-UHFFFAOYSA-N 2 2 251.334 0.058 20 0 CCADLP O=C1NCC[C@H]1CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000574867951 335053264 /nfs/dbraw/zinc/05/32/64/335053264.db2.gz JGSXAQKEKYPGDD-KBPBESRZSA-N 2 2 281.400 0.167 20 0 CCADLP O=C1NCC[C@H]1CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000574867951 335053265 /nfs/dbraw/zinc/05/32/65/335053265.db2.gz JGSXAQKEKYPGDD-KBPBESRZSA-N 2 2 281.400 0.167 20 0 CCADLP C[N@H+](CCNS(=O)(=O)c1ccccc1)C1CC([NH3+])C1 ZINC000420327479 285242320 /nfs/dbraw/zinc/24/23/20/285242320.db2.gz GLLLTUVGMBYTBY-UHFFFAOYSA-N 2 2 283.397 0.386 20 0 CCADLP C[N@@H+](CCNS(=O)(=O)c1ccccc1)C1CC([NH3+])C1 ZINC000420327479 285242323 /nfs/dbraw/zinc/24/23/23/285242323.db2.gz GLLLTUVGMBYTBY-UHFFFAOYSA-N 2 2 283.397 0.386 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1CNc1nc[nH+]c(N)c1OC ZINC000520838360 285277348 /nfs/dbraw/zinc/27/73/48/285277348.db2.gz YOIGFZBDJRYWEQ-SNVBAGLBSA-N 2 2 265.361 0.776 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1CNc1nc[nH+]c(N)c1OC ZINC000520838360 285277351 /nfs/dbraw/zinc/27/73/51/285277351.db2.gz YOIGFZBDJRYWEQ-SNVBAGLBSA-N 2 2 265.361 0.776 20 0 CCADLP [NH3+][C@H](C(=O)NCCNc1cc[nH+]cc1)c1cscn1 ZINC000521868565 285291381 /nfs/dbraw/zinc/29/13/81/285291381.db2.gz DKQJYJPUBLMCQM-NSHDSACASA-N 2 2 277.353 0.188 20 0 CCADLP CC1(C)[NH2+]CC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000521880966 285294736 /nfs/dbraw/zinc/29/47/36/285294736.db2.gz MCJISZOPZRYIMA-LLVKDONJSA-N 2 2 286.339 0.533 20 0 CCADLP CC[N@H+](CCNC(=O)N[C@H](C)C[NH+]1CCOCC1)C1CC1 ZINC000171158413 335057083 /nfs/dbraw/zinc/05/70/83/335057083.db2.gz WLQBSCGOOBJYFS-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@@H+](CCNC(=O)N[C@H](C)C[NH+]1CCOCC1)C1CC1 ZINC000171158413 335057084 /nfs/dbraw/zinc/05/70/84/335057084.db2.gz WLQBSCGOOBJYFS-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H](O)C[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000575054150 335059592 /nfs/dbraw/zinc/05/95/92/335059592.db2.gz OQNRMYWAYMHGKE-RYUDHWBXSA-N 2 2 280.372 0.272 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]Cc1cc(O)cc(F)c1 ZINC000185631745 388811460 /nfs/dbraw/zinc/81/14/60/388811460.db2.gz LUZGQESCHJBFHL-UHFFFAOYSA-N 2 2 256.321 0.935 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]Cc1cc(O)cc(F)c1 ZINC000185631745 388811462 /nfs/dbraw/zinc/81/14/62/388811462.db2.gz LUZGQESCHJBFHL-UHFFFAOYSA-N 2 2 256.321 0.935 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000526003686 285326684 /nfs/dbraw/zinc/32/66/84/285326684.db2.gz MHHYOAMDFKTKOR-GFCCVEGCSA-N 2 2 264.373 0.811 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000526003686 285326686 /nfs/dbraw/zinc/32/66/86/285326686.db2.gz MHHYOAMDFKTKOR-GFCCVEGCSA-N 2 2 264.373 0.811 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000186856795 388856622 /nfs/dbraw/zinc/85/66/22/388856622.db2.gz MSAAQOWFDFZDGS-CABCVRRESA-N 2 2 297.443 0.776 20 0 CCADLP CC[C@]1(CO)CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000187593181 388887926 /nfs/dbraw/zinc/88/79/26/388887926.db2.gz XRHHPWUOCMLWNZ-HNNXBMFYSA-N 2 2 283.416 0.245 20 0 CCADLP CC[C@]1(CO)CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000187593181 388887930 /nfs/dbraw/zinc/88/79/30/388887930.db2.gz XRHHPWUOCMLWNZ-HNNXBMFYSA-N 2 2 283.416 0.245 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(C(N)=O)co2)CC[N@@H+]1C ZINC000187706983 388892778 /nfs/dbraw/zinc/89/27/78/388892778.db2.gz WBWBYRODWQGNRB-ONGXEEELSA-N 2 2 251.330 0.951 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(C(N)=O)co2)CC[N@H+]1C ZINC000187706983 388892779 /nfs/dbraw/zinc/89/27/79/388892779.db2.gz WBWBYRODWQGNRB-ONGXEEELSA-N 2 2 251.330 0.951 20 0 CCADLP CO[C@H](C[NH3+])C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000289818915 388895207 /nfs/dbraw/zinc/89/52/07/388895207.db2.gz CTMMSABMZMKGNC-CQSZACIVSA-N 2 2 288.351 0.521 20 0 CCADLP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NCC[NH+]1CCOCC1 ZINC000055123602 388930198 /nfs/dbraw/zinc/93/01/98/388930198.db2.gz HCNSCULUZQKPMT-CHWSQXEVSA-N 2 2 269.389 0.342 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(Cc2c[nH+]c3ccccn23)CC1 ZINC000189385658 388958381 /nfs/dbraw/zinc/95/83/81/388958381.db2.gz AHXDZPNQQLGAGQ-CYBMUJFWSA-N 2 2 274.368 0.833 20 0 CCADLP CO[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)CC[C@@H]1C ZINC000336786888 389017878 /nfs/dbraw/zinc/01/78/78/389017878.db2.gz CYGNTLAKXVTVQU-FPMFFAJLSA-N 2 2 256.390 0.798 20 0 CCADLP CO[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)CC[C@@H]1C ZINC000336786888 389017882 /nfs/dbraw/zinc/01/78/82/389017882.db2.gz CYGNTLAKXVTVQU-FPMFFAJLSA-N 2 2 256.390 0.798 20 0 CCADLP CO[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC[C@@H]1C ZINC000336786888 389017887 /nfs/dbraw/zinc/01/78/87/389017887.db2.gz CYGNTLAKXVTVQU-FPMFFAJLSA-N 2 2 256.390 0.798 20 0 CCADLP CO[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC[C@@H]1C ZINC000336786888 389017891 /nfs/dbraw/zinc/01/78/91/389017891.db2.gz CYGNTLAKXVTVQU-FPMFFAJLSA-N 2 2 256.390 0.798 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[NH+]1CCC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000337638206 389064793 /nfs/dbraw/zinc/06/47/93/389064793.db2.gz ZOVBCSMKFAJAHI-KFWWJZLASA-N 2 2 297.443 0.942 20 0 CCADLP COCC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000104067392 389079129 /nfs/dbraw/zinc/07/91/29/389079129.db2.gz GBYRNYFYYOUECC-GFCCVEGCSA-N 2 2 255.362 0.047 20 0 CCADLP COCC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000104067392 389079131 /nfs/dbraw/zinc/07/91/31/389079131.db2.gz GBYRNYFYYOUECC-GFCCVEGCSA-N 2 2 255.362 0.047 20 0 CCADLP O=C(NCC[NH+]1CCOCC1)N1CC[NH+](C2CCC2)CC1 ZINC000355502542 389085529 /nfs/dbraw/zinc/08/55/29/389085529.db2.gz HVCQTZBLLAXPCI-UHFFFAOYSA-N 2 2 296.415 0.198 20 0 CCADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338179642 389085594 /nfs/dbraw/zinc/08/55/94/389085594.db2.gz WISJCBHGEFSYFM-CQSZACIVSA-N 2 2 297.443 0.897 20 0 CCADLP CC[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000305720957 389088053 /nfs/dbraw/zinc/08/80/53/389088053.db2.gz JTIJTDRGMHUUCG-OLZOCXBDSA-N 2 2 269.389 0.171 20 0 CCADLP CC[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000305720957 389088055 /nfs/dbraw/zinc/08/80/55/389088055.db2.gz JTIJTDRGMHUUCG-OLZOCXBDSA-N 2 2 269.389 0.171 20 0 CCADLP C[N@H+]1CCN(C(=O)/C=C\c2ccccc2)[C@@H](C[NH3+])C1 ZINC000311247317 389102703 /nfs/dbraw/zinc/10/27/03/389102703.db2.gz GIKBYGRPIKEIDX-DANTVBBOSA-N 2 2 259.353 0.801 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)NCc2ccc(F)cc2)CCCO1 ZINC000313343646 389113408 /nfs/dbraw/zinc/11/34/08/389113408.db2.gz OSBSXSRGVXYSFF-CQSZACIVSA-N 2 2 295.358 0.492 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(F)cc2)CCCO1 ZINC000313343646 389113409 /nfs/dbraw/zinc/11/34/09/389113409.db2.gz OSBSXSRGVXYSFF-CQSZACIVSA-N 2 2 295.358 0.492 20 0 CCADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313352195 389113462 /nfs/dbraw/zinc/11/34/62/389113462.db2.gz OARASOACJMCIMV-NWDGAFQWSA-N 2 2 257.378 0.197 20 0 CCADLP CC(C)[C@H](C)NC(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313352195 389113463 /nfs/dbraw/zinc/11/34/63/389113463.db2.gz OARASOACJMCIMV-NWDGAFQWSA-N 2 2 257.378 0.197 20 0 CCADLP CC(C)CCNC(=O)[C@@H](C)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313400070 389114097 /nfs/dbraw/zinc/11/40/97/389114097.db2.gz SIZDNJZRMWSPTP-CHWSQXEVSA-N 2 2 271.405 0.587 20 0 CCADLP CC(C)CCNC(=O)[C@@H](C)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313400070 389114099 /nfs/dbraw/zinc/11/40/99/389114099.db2.gz SIZDNJZRMWSPTP-CHWSQXEVSA-N 2 2 271.405 0.587 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C[NH+](C)C ZINC000355738816 389116148 /nfs/dbraw/zinc/11/61/48/389116148.db2.gz JOUVZWJIXAXEBT-DZGCQCFKSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C[NH+](C)C ZINC000355738816 389116150 /nfs/dbraw/zinc/11/61/50/389116150.db2.gz JOUVZWJIXAXEBT-DZGCQCFKSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000195127706 389116493 /nfs/dbraw/zinc/11/64/93/389116493.db2.gz ZAUUPMFGYWLHAK-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1C)[NH+]1CCOCC1 ZINC000195127706 389116495 /nfs/dbraw/zinc/11/64/95/389116495.db2.gz ZAUUPMFGYWLHAK-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP COCCCNC(=O)C[N@@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000316103822 389119554 /nfs/dbraw/zinc/11/95/54/389119554.db2.gz LHCWLTIQCOIDAR-AVGNSLFASA-N 2 2 271.405 0.587 20 0 CCADLP COCCCNC(=O)C[N@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000316103822 389119557 /nfs/dbraw/zinc/11/95/57/389119557.db2.gz LHCWLTIQCOIDAR-AVGNSLFASA-N 2 2 271.405 0.587 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1=CCOCC1 ZINC000356119039 389119939 /nfs/dbraw/zinc/11/99/39/389119939.db2.gz ZZGVEDULYPKVNG-UHFFFAOYSA-N 2 2 295.427 0.818 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1=CCOCC1 ZINC000356119039 389119941 /nfs/dbraw/zinc/11/99/41/389119941.db2.gz ZZGVEDULYPKVNG-UHFFFAOYSA-N 2 2 295.427 0.818 20 0 CCADLP OC[C@@]1([C@@H]([NH2+]CCn2cc[nH+]c2)C2CC2)CCCO1 ZINC000339765661 389138878 /nfs/dbraw/zinc/13/88/78/389138878.db2.gz YGZDXBZLNPIVKC-UONOGXRCSA-N 2 2 265.357 0.793 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH2+]CCCS(C)(=O)=O)[C@H](C)C1 ZINC000358036945 389141687 /nfs/dbraw/zinc/14/16/87/389141687.db2.gz LEWSDLCFZUKBEW-VXGBXAGGSA-N 2 2 262.419 0.741 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH2+]CCCS(C)(=O)=O)[C@H](C)C1 ZINC000358036945 389141689 /nfs/dbraw/zinc/14/16/89/389141689.db2.gz LEWSDLCFZUKBEW-VXGBXAGGSA-N 2 2 262.419 0.741 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1nccn1C ZINC000341706829 389191167 /nfs/dbraw/zinc/19/11/67/389191167.db2.gz IKYQUOFRLWPEED-QWHCGFSZSA-N 2 2 293.415 0.658 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1nccn1C ZINC000341706829 389191168 /nfs/dbraw/zinc/19/11/68/389191168.db2.gz IKYQUOFRLWPEED-QWHCGFSZSA-N 2 2 293.415 0.658 20 0 CCADLP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC[NH2+]1 ZINC000235718324 389166948 /nfs/dbraw/zinc/16/69/48/389166948.db2.gz GKIHIGWENHWGFE-MELADBBJSA-N 2 2 281.400 0.308 20 0 CCADLP COC(=O)C[N@H+](CCN1CC[NH+](C)CC1)C[C@@H]1C[C@@H]1C ZINC000343628833 389267559 /nfs/dbraw/zinc/26/75/59/389267559.db2.gz XLYAVCJBJSRSGS-KBPBESRZSA-N 2 2 283.416 0.365 20 0 CCADLP COC(=O)C[N@@H+](CCN1CC[NH+](C)CC1)C[C@@H]1C[C@@H]1C ZINC000343628833 389267560 /nfs/dbraw/zinc/26/75/60/389267560.db2.gz XLYAVCJBJSRSGS-KBPBESRZSA-N 2 2 283.416 0.365 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)C1 ZINC000342826863 389253610 /nfs/dbraw/zinc/25/36/10/389253610.db2.gz ORUIPEYAVDGNPK-MUYACECFSA-N 2 2 265.401 0.973 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)C1 ZINC000342826863 389253613 /nfs/dbraw/zinc/25/36/13/389253613.db2.gz ORUIPEYAVDGNPK-MUYACECFSA-N 2 2 265.401 0.973 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000330945179 389259509 /nfs/dbraw/zinc/25/95/09/389259509.db2.gz GTXFCVAIYVVCOV-MWLCHTKSSA-N 2 2 278.312 0.532 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000330945179 389259511 /nfs/dbraw/zinc/25/95/11/389259511.db2.gz GTXFCVAIYVVCOV-MWLCHTKSSA-N 2 2 278.312 0.532 20 0 CCADLP COC(=O)CNC(=O)[C@@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245430568 389207127 /nfs/dbraw/zinc/20/71/27/389207127.db2.gz AHKUAPXPNLXBKP-CHWSQXEVSA-N 2 2 299.415 0.470 20 0 CCADLP COC(=O)CNC(=O)[C@@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245430568 389207131 /nfs/dbraw/zinc/20/71/31/389207131.db2.gz AHKUAPXPNLXBKP-CHWSQXEVSA-N 2 2 299.415 0.470 20 0 CCADLP COC(=O)CNC(=O)[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000245430568 389207132 /nfs/dbraw/zinc/20/71/32/389207132.db2.gz AHKUAPXPNLXBKP-CHWSQXEVSA-N 2 2 299.415 0.470 20 0 CCADLP COC(=O)CNC(=O)[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000245430568 389207136 /nfs/dbraw/zinc/20/71/36/389207136.db2.gz AHKUAPXPNLXBKP-CHWSQXEVSA-N 2 2 299.415 0.470 20 0 CCADLP COCCc1noc(CN(C)CCn2cc[nH+]c2)n1 ZINC000131701358 389216228 /nfs/dbraw/zinc/21/62/28/389216228.db2.gz OOCRNXHCUJNRAF-UHFFFAOYSA-N 2 2 265.317 0.587 20 0 CCADLP COCCc1noc(C[N@H+](C)CCn2cc[nH+]c2)n1 ZINC000131701358 389216232 /nfs/dbraw/zinc/21/62/32/389216232.db2.gz OOCRNXHCUJNRAF-UHFFFAOYSA-N 2 2 265.317 0.587 20 0 CCADLP COCCc1noc(C[N@@H+](C)CCn2cc[nH+]c2)n1 ZINC000131701358 389216236 /nfs/dbraw/zinc/21/62/36/389216236.db2.gz OOCRNXHCUJNRAF-UHFFFAOYSA-N 2 2 265.317 0.587 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000342601680 389228162 /nfs/dbraw/zinc/22/81/62/389228162.db2.gz PLPQPIQZTWHETF-CMPLNLGQSA-N 2 2 279.388 0.300 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000342601680 389228164 /nfs/dbraw/zinc/22/81/64/389228164.db2.gz PLPQPIQZTWHETF-CMPLNLGQSA-N 2 2 279.388 0.300 20 0 CCADLP CCOC(=O)N1CCC([NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)CC1 ZINC000133402615 389235210 /nfs/dbraw/zinc/23/52/10/389235210.db2.gz FZUJIMRNVXFPIN-JSGCOSHPSA-N 2 2 299.415 0.964 20 0 CCADLP CC[N@@H+]1C[C@H](C)N(C(=O)[C@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000345909140 389317294 /nfs/dbraw/zinc/31/72/94/389317294.db2.gz PQXKQYWANBBBKJ-RWMBFGLXSA-N 2 2 269.389 0.258 20 0 CCADLP CC[N@H+]1C[C@H](C)N(C(=O)[C@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000345909140 389317298 /nfs/dbraw/zinc/31/72/98/389317298.db2.gz PQXKQYWANBBBKJ-RWMBFGLXSA-N 2 2 269.389 0.258 20 0 CCADLP CC[NH+]1C[C@H](C)N(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000345909140 389317301 /nfs/dbraw/zinc/31/73/01/389317301.db2.gz PQXKQYWANBBBKJ-RWMBFGLXSA-N 2 2 269.389 0.258 20 0 CCADLP CC[NH+]1C[C@H](C)N(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000345909140 389317303 /nfs/dbraw/zinc/31/73/03/389317303.db2.gz PQXKQYWANBBBKJ-RWMBFGLXSA-N 2 2 269.389 0.258 20 0 CCADLP CC[N@@H+]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC000264506712 389332168 /nfs/dbraw/zinc/33/21/68/389332168.db2.gz GWCYVNFLDYKKNV-GFCCVEGCSA-N 2 2 250.346 0.731 20 0 CCADLP CC[N@H+]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC000264506712 389332171 /nfs/dbraw/zinc/33/21/71/389332171.db2.gz GWCYVNFLDYKKNV-GFCCVEGCSA-N 2 2 250.346 0.731 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](O)CC23CCC3)CC1 ZINC000420995272 389344169 /nfs/dbraw/zinc/34/41/69/389344169.db2.gz OLYSZJJKJJYHKF-ZDUSSCGKSA-N 2 2 281.400 0.140 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](O)CC23CCC3)CC1 ZINC000420995272 389344172 /nfs/dbraw/zinc/34/41/72/389344172.db2.gz OLYSZJJKJJYHKF-ZDUSSCGKSA-N 2 2 281.400 0.140 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)Cn1cccn1 ZINC000137456013 389269904 /nfs/dbraw/zinc/26/99/04/389269904.db2.gz GHHIXIFOTRIXQJ-KGLIPLIRSA-N 2 2 266.389 0.972 20 0 CCADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)Cn1cccn1 ZINC000137456013 389269907 /nfs/dbraw/zinc/26/99/07/389269907.db2.gz GHHIXIFOTRIXQJ-KGLIPLIRSA-N 2 2 266.389 0.972 20 0 CCADLP C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000261912293 389278948 /nfs/dbraw/zinc/27/89/48/389278948.db2.gz JFMBKSYNCJVGLL-RBSFLKMASA-N 3 2 267.417 0.827 20 0 CCADLP CC(C)NS(=O)(=O)[C@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262098600 389281701 /nfs/dbraw/zinc/28/17/01/389281701.db2.gz VKAWPQCUBDBNGU-STQMWFEESA-N 2 2 289.445 0.388 20 0 CCADLP CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262098600 389281705 /nfs/dbraw/zinc/28/17/05/389281705.db2.gz VKAWPQCUBDBNGU-STQMWFEESA-N 2 2 289.445 0.388 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCN(C)C[C@@H]1CCC[NH+]1C ZINC000420995662 389344514 /nfs/dbraw/zinc/34/45/14/389344514.db2.gz IMWLCFOTAFESIF-KBPBESRZSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@H]1COCC[N@H+]1CCN(C)C[C@@H]1CCC[NH+]1C ZINC000420995662 389344517 /nfs/dbraw/zinc/34/45/17/389344517.db2.gz IMWLCFOTAFESIF-KBPBESRZSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@H]1COCC[NH+]1CCN(C)C[C@@H]1CCC[N@@H+]1C ZINC000420995662 389344519 /nfs/dbraw/zinc/34/45/19/389344519.db2.gz IMWLCFOTAFESIF-KBPBESRZSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@H]1COCC[NH+]1CCN(C)C[C@@H]1CCC[N@H+]1C ZINC000420995662 389344522 /nfs/dbraw/zinc/34/45/22/389344522.db2.gz IMWLCFOTAFESIF-KBPBESRZSA-N 2 2 255.406 0.733 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000348278606 389372371 /nfs/dbraw/zinc/37/23/71/389372371.db2.gz WMLZEKCBDZLKMC-STQMWFEESA-N 2 2 267.373 0.014 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000348278606 389372374 /nfs/dbraw/zinc/37/23/74/389372374.db2.gz WMLZEKCBDZLKMC-STQMWFEESA-N 2 2 267.373 0.014 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(F)(F)F)C2)CC1 ZINC000369270062 389392861 /nfs/dbraw/zinc/39/28/61/389392861.db2.gz YPBWQIAPOYSJIL-VIFPVBQESA-N 2 2 279.306 0.833 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(F)(F)F)C2)CC1 ZINC000369270062 389392862 /nfs/dbraw/zinc/39/28/62/389392862.db2.gz YPBWQIAPOYSJIL-VIFPVBQESA-N 2 2 279.306 0.833 20 0 CCADLP CN(C(=O)C(F)F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369646525 389398111 /nfs/dbraw/zinc/39/81/11/389398111.db2.gz GGJZQEWWIYMTLU-NSHDSACASA-N 2 2 275.343 0.878 20 0 CCADLP CN(C(=O)C(F)F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369646525 389398116 /nfs/dbraw/zinc/39/81/16/389398116.db2.gz GGJZQEWWIYMTLU-NSHDSACASA-N 2 2 275.343 0.878 20 0 CCADLP [NH3+]C[C@H]1CCCN1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000332163784 389345831 /nfs/dbraw/zinc/34/58/31/389345831.db2.gz UASNUZRORSWFFS-QWHCGFSZSA-N 2 2 289.383 0.793 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000332663111 389356637 /nfs/dbraw/zinc/35/66/37/389356637.db2.gz DOLSRRMOMJXXKF-MCIONIFRSA-N 2 2 298.431 0.474 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000332663111 389356639 /nfs/dbraw/zinc/35/66/39/389356639.db2.gz DOLSRRMOMJXXKF-MCIONIFRSA-N 2 2 298.431 0.474 20 0 CCADLP CN(C)c1nc(N2CC[N@@H+]3CCOC[C@@H]3C2)cc[nH+]1 ZINC000347878724 389360525 /nfs/dbraw/zinc/36/05/25/389360525.db2.gz NNYSZBJDEGUSRO-NSHDSACASA-N 2 2 263.345 0.063 20 0 CCADLP CN(C)c1nc(N2CC[N@H+]3CCOC[C@@H]3C2)cc[nH+]1 ZINC000347878724 389360526 /nfs/dbraw/zinc/36/05/26/389360526.db2.gz NNYSZBJDEGUSRO-NSHDSACASA-N 2 2 263.345 0.063 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000422750287 389467819 /nfs/dbraw/zinc/46/78/19/389467819.db2.gz CQKBCKNMKYEEMN-SOUVJXGZSA-N 2 2 297.443 0.992 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000422750287 389467824 /nfs/dbraw/zinc/46/78/24/389467824.db2.gz CQKBCKNMKYEEMN-SOUVJXGZSA-N 2 2 297.443 0.992 20 0 CCADLP CC(C)NC(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000172936177 389493918 /nfs/dbraw/zinc/49/39/18/389493918.db2.gz DIHKOUWINKRUET-AWEZNQCLSA-N 2 2 283.416 0.555 20 0 CCADLP CC(C)NC(=O)CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000172936177 389493919 /nfs/dbraw/zinc/49/39/19/389493919.db2.gz DIHKOUWINKRUET-AWEZNQCLSA-N 2 2 283.416 0.555 20 0 CCADLP O=C(NC[C@@H]1CCC[NH2+]C1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000422768562 389471375 /nfs/dbraw/zinc/47/13/75/389471375.db2.gz USEHGOUOIBGWHG-HUUCEWRRSA-N 2 2 295.427 0.603 20 0 CCADLP O=C(NC[C@@H]1CCC[NH2+]C1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000422768562 389471377 /nfs/dbraw/zinc/47/13/77/389471377.db2.gz USEHGOUOIBGWHG-HUUCEWRRSA-N 2 2 295.427 0.603 20 0 CCADLP C(C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)COC[C@H]1CCCO1 ZINC000422777215 389472401 /nfs/dbraw/zinc/47/24/01/389472401.db2.gz BRYOKAVQRUZTFG-BZUAXINKSA-N 2 2 298.427 0.929 20 0 CCADLP CC[C@H](C(=O)NC[C@H]1CCC[N@H+](CC(=O)OC)C1)[NH+](C)C ZINC000412368069 389478692 /nfs/dbraw/zinc/47/86/92/389478692.db2.gz MSNUQEDBCHEJSK-CHWSQXEVSA-N 2 2 299.415 0.328 20 0 CCADLP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](CC(=O)OC)C1)[NH+](C)C ZINC000412368069 389478695 /nfs/dbraw/zinc/47/86/95/389478695.db2.gz MSNUQEDBCHEJSK-CHWSQXEVSA-N 2 2 299.415 0.328 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC[C@@H]1[NH3+] ZINC000422841040 389488553 /nfs/dbraw/zinc/48/85/53/389488553.db2.gz CMSUMIUDMYYXHA-VHDGCEQUSA-N 2 2 295.427 0.826 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC[C@@H]1[NH3+] ZINC000422841040 389488555 /nfs/dbraw/zinc/48/85/55/389488555.db2.gz CMSUMIUDMYYXHA-VHDGCEQUSA-N 2 2 295.427 0.826 20 0 CCADLP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422848262 389491215 /nfs/dbraw/zinc/49/12/15/389491215.db2.gz AQXXFEHVLAEAEX-MCIONIFRSA-N 3 2 257.422 0.931 20 0 CCADLP [NH3+]C[C@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C1CC1 ZINC000422854201 389491745 /nfs/dbraw/zinc/49/17/45/389491745.db2.gz AQYNVVGBJJOUSA-KBPBESRZSA-N 2 2 281.400 0.483 20 0 CCADLP [NH3+]C[C@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C1CC1 ZINC000422854201 389491749 /nfs/dbraw/zinc/49/17/49/389491749.db2.gz AQYNVVGBJJOUSA-KBPBESRZSA-N 2 2 281.400 0.483 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000163972708 389430919 /nfs/dbraw/zinc/43/09/19/389430919.db2.gz VOJIFCXFEULMKL-LBPRGKRZSA-N 2 2 262.419 0.885 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000163990213 389430932 /nfs/dbraw/zinc/43/09/32/389430932.db2.gz RNVXTLIPUDZPCM-RYUDHWBXSA-N 2 2 274.430 0.884 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000163990213 389430933 /nfs/dbraw/zinc/43/09/33/389430933.db2.gz RNVXTLIPUDZPCM-RYUDHWBXSA-N 2 2 274.430 0.884 20 0 CCADLP CN1CC[N@H+](C)[C@@H](CNC(=O)NCCC[NH+]2CCCC2)C1 ZINC000349760764 389431137 /nfs/dbraw/zinc/43/11/37/389431137.db2.gz YQODHOHKPRWHHE-AWEZNQCLSA-N 2 2 297.447 0.017 20 0 CCADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NCCC[NH+]2CCCC2)C1 ZINC000349760764 389431141 /nfs/dbraw/zinc/43/11/41/389431141.db2.gz YQODHOHKPRWHHE-AWEZNQCLSA-N 2 2 297.447 0.017 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)C2(C[NH3+])CCCC2)CC1 ZINC000164462612 389434768 /nfs/dbraw/zinc/43/47/68/389434768.db2.gz MDVQMXNLTRZDLM-UHFFFAOYSA-N 2 2 283.416 0.686 20 0 CCADLP Cc1ccc([C@@H](CNC(=O)[C@H](C)[NH3+])[NH+]2CCOCC2)cc1 ZINC000165674072 389440067 /nfs/dbraw/zinc/44/00/67/389440067.db2.gz AANLOBVFAONBIQ-DZGCQCFKSA-N 2 2 291.395 0.832 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC1=CC[N@H+](C)CC1 ZINC000271771048 389446316 /nfs/dbraw/zinc/44/63/16/389446316.db2.gz FESVSNICNDFZQG-LBPRGKRZSA-N 2 2 277.372 0.833 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000271771048 389446321 /nfs/dbraw/zinc/44/63/21/389446321.db2.gz FESVSNICNDFZQG-LBPRGKRZSA-N 2 2 277.372 0.833 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC([NH3+])CC1 ZINC000422691511 389452567 /nfs/dbraw/zinc/45/25/67/389452567.db2.gz OELPUAAFEDQLIP-CYBMUJFWSA-N 2 2 269.389 0.437 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CCC([NH3+])CC1 ZINC000422691511 389452571 /nfs/dbraw/zinc/45/25/71/389452571.db2.gz OELPUAAFEDQLIP-CYBMUJFWSA-N 2 2 269.389 0.437 20 0 CCADLP [NH3+][C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000422700603 389454430 /nfs/dbraw/zinc/45/44/30/389454430.db2.gz AIVSJIPWLVPASE-CHWSQXEVSA-N 2 2 267.373 0.047 20 0 CCADLP [NH3+][C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000422700603 389454435 /nfs/dbraw/zinc/45/44/35/389454435.db2.gz AIVSJIPWLVPASE-CHWSQXEVSA-N 2 2 267.373 0.047 20 0 CCADLP C[C@H]([NH2+]CCN1CCOC[C@@H]1C)[C@@H]1CCCC[NH2+]1 ZINC000422711250 389456717 /nfs/dbraw/zinc/45/67/17/389456717.db2.gz GUTYHQJPMRRVPL-IHRRRGAJSA-N 2 2 255.406 0.827 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000422714088 389457201 /nfs/dbraw/zinc/45/72/01/389457201.db2.gz QRMOQSCYKCCMML-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000422714088 389457206 /nfs/dbraw/zinc/45/72/06/389457206.db2.gz QRMOQSCYKCCMML-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)N1CCNC1=O ZINC000173634121 389505878 /nfs/dbraw/zinc/50/58/78/389505878.db2.gz MKYFCORATQRNON-LBPRGKRZSA-N 2 2 282.388 0.344 20 0 CCADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)N1CCNC1=O ZINC000173634121 389505881 /nfs/dbraw/zinc/50/58/81/389505881.db2.gz MKYFCORATQRNON-LBPRGKRZSA-N 2 2 282.388 0.344 20 0 CCADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC(=O)N1CCNC1=O ZINC000173634121 389505883 /nfs/dbraw/zinc/50/58/83/389505883.db2.gz MKYFCORATQRNON-LBPRGKRZSA-N 2 2 282.388 0.344 20 0 CCADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC(=O)N1CCNC1=O ZINC000173634121 389505886 /nfs/dbraw/zinc/50/58/86/389505886.db2.gz MKYFCORATQRNON-LBPRGKRZSA-N 2 2 282.388 0.344 20 0 CCADLP CC(C)[C@@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000422968958 389511411 /nfs/dbraw/zinc/51/14/11/389511411.db2.gz YFGUVVJAWQMMPL-ARFHVFGLSA-N 3 2 282.476 0.989 20 0 CCADLP O=C1[C@@H]([N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CCN1C1CC1 ZINC000334981578 389515185 /nfs/dbraw/zinc/51/51/85/389515185.db2.gz STQKZSQAGMLSRB-ZFWWWQNUSA-N 2 2 263.385 0.825 20 0 CCADLP O=C1[C@@H]([N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CCN1C1CC1 ZINC000334981578 389515189 /nfs/dbraw/zinc/51/51/89/389515189.db2.gz STQKZSQAGMLSRB-ZFWWWQNUSA-N 2 2 263.385 0.825 20 0 CCADLP Cc1cc(CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)cc(C)[nH+]1 ZINC000422976862 389515183 /nfs/dbraw/zinc/51/51/83/389515183.db2.gz VSGOEOXRNKFOQX-ZDUSSCGKSA-N 2 2 292.383 0.414 20 0 CCADLP OCCC1(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CCC1 ZINC000422989575 389518566 /nfs/dbraw/zinc/51/85/66/389518566.db2.gz LWCVWRQVCPVXJR-ZIAGYGMSSA-N 2 2 268.401 0.896 20 0 CCADLP C[C@](O)(C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)C(F)(F)F ZINC000423015231 389522422 /nfs/dbraw/zinc/52/24/22/389522422.db2.gz QNDLTUZWZJAJEH-VWYCJHECSA-N 2 2 282.306 0.656 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CCO1 ZINC000373859527 389522774 /nfs/dbraw/zinc/52/27/74/389522774.db2.gz NLRMZSVLQNVNAJ-CZUORRHYSA-N 2 2 295.427 0.603 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CCO1 ZINC000373859527 389522780 /nfs/dbraw/zinc/52/27/80/389522780.db2.gz NLRMZSVLQNVNAJ-CZUORRHYSA-N 2 2 295.427 0.603 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)CCc1c[nH+]cn1C ZINC000276652449 389523265 /nfs/dbraw/zinc/52/32/65/389523265.db2.gz ZGGYJVWBQOPJIH-LLVKDONJSA-N 2 2 252.362 0.809 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000423077796 389530118 /nfs/dbraw/zinc/53/01/18/389530118.db2.gz UOTXVTFNHREOEE-BZUAXINKSA-N 3 2 299.459 0.844 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000423077796 389530119 /nfs/dbraw/zinc/53/01/19/389530119.db2.gz UOTXVTFNHREOEE-BZUAXINKSA-N 3 2 299.459 0.844 20 0 CCADLP C[C@H](C[C@@H]1COCCN1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000423077796 389530121 /nfs/dbraw/zinc/53/01/21/389530121.db2.gz UOTXVTFNHREOEE-BZUAXINKSA-N 2 2 299.459 0.844 20 0 CCADLP C[C@H](C[C@@H]1COCCN1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000423077796 389530125 /nfs/dbraw/zinc/53/01/25/389530125.db2.gz UOTXVTFNHREOEE-BZUAXINKSA-N 2 2 299.459 0.844 20 0 CCADLP C[C@H]([NH2+][C@@H]1CC(=O)N2CCCC[C@H]12)[C@H]1CCC[NH2+]1 ZINC000423106475 389535374 /nfs/dbraw/zinc/53/53/74/389535374.db2.gz CYJMYADBYRPHCT-UMSGYPCISA-N 2 2 251.374 0.870 20 0 CCADLP COc1ccc(C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)c(OC)n1 ZINC000423143527 389541958 /nfs/dbraw/zinc/54/19/58/389541958.db2.gz XBAVSRYUXRDYQU-WCQYABFASA-N 2 2 295.383 0.955 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1NCC[N@H+]1CCCC1(C)C ZINC000423170340 389547687 /nfs/dbraw/zinc/54/76/87/389547687.db2.gz XTXGBPQWZKEBFQ-STQMWFEESA-N 2 2 283.416 0.744 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCN2CC[NH2+]CC2)C[N@@H+]1C1CC1 ZINC000423207796 389553758 /nfs/dbraw/zinc/55/37/58/389553758.db2.gz SHGLIKWZPMTWOO-CHWSQXEVSA-N 3 2 252.406 0.106 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCN2CC[NH2+]CC2)C[N@H+]1C1CC1 ZINC000423207796 389553763 /nfs/dbraw/zinc/55/37/63/389553763.db2.gz SHGLIKWZPMTWOO-CHWSQXEVSA-N 3 2 252.406 0.106 20 0 CCADLP CC[C@H]1CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000176239924 389555705 /nfs/dbraw/zinc/55/57/05/389555705.db2.gz RBSLLVSDNGCIIA-AWEZNQCLSA-N 2 2 297.443 0.945 20 0 CCADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)c1 ZINC000423330123 389566928 /nfs/dbraw/zinc/56/69/28/389566928.db2.gz TYBZXQALFOFNIB-IINYFYTJSA-N 2 2 297.424 0.983 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000423761121 389608905 /nfs/dbraw/zinc/60/89/05/389608905.db2.gz RBYPUFXXSXRDLN-OLZOCXBDSA-N 2 2 269.389 0.197 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000423761121 389608912 /nfs/dbraw/zinc/60/89/12/389608912.db2.gz RBYPUFXXSXRDLN-OLZOCXBDSA-N 2 2 269.389 0.197 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000178669799 389614382 /nfs/dbraw/zinc/61/43/82/389614382.db2.gz HQFGDVHPOXOZOP-CABCVRRESA-N 3 2 296.459 0.470 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000178669799 389614383 /nfs/dbraw/zinc/61/43/83/389614383.db2.gz HQFGDVHPOXOZOP-CABCVRRESA-N 3 2 296.459 0.470 20 0 CCADLP CC[C@H](C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1)[NH+](C)C ZINC000178682382 389615619 /nfs/dbraw/zinc/61/56/19/389615619.db2.gz KMIDMKPTPCTEAH-QWHCGFSZSA-N 2 2 299.415 0.422 20 0 CCADLP COCC(COC)[NH+]1CCN(Cc2[nH+]cc(C)n2C)CC1 ZINC000414468302 389617608 /nfs/dbraw/zinc/61/76/08/389617608.db2.gz CSEAJIOMGVQCGI-UHFFFAOYSA-N 2 2 296.415 0.508 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cn(C)cn1 ZINC000178730617 389617757 /nfs/dbraw/zinc/61/77/57/389617757.db2.gz SPAUCRSENQICDK-UHFFFAOYSA-N 2 2 293.415 0.518 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cn(C)cn1 ZINC000178730617 389617760 /nfs/dbraw/zinc/61/77/60/389617760.db2.gz SPAUCRSENQICDK-UHFFFAOYSA-N 2 2 293.415 0.518 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000178763134 389621114 /nfs/dbraw/zinc/62/11/14/389621114.db2.gz HVIMBDHRQNAIPS-LBPRGKRZSA-N 2 2 269.389 0.356 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000178763134 389621119 /nfs/dbraw/zinc/62/11/19/389621119.db2.gz HVIMBDHRQNAIPS-LBPRGKRZSA-N 2 2 269.389 0.356 20 0 CCADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1cc(F)cc(F)c1 ZINC000414958567 389647767 /nfs/dbraw/zinc/64/77/67/389647767.db2.gz DJIVIZFFXIRJQE-ZDUSSCGKSA-N 2 2 255.312 0.958 20 0 CCADLP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[NH+](C)CC2)c1 ZINC000414708390 389629334 /nfs/dbraw/zinc/62/93/34/389629334.db2.gz NUHFMUFGKPKNLB-UHFFFAOYSA-N 2 2 290.367 0.119 20 0 CCADLP Cc1cc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)nn1C ZINC000414709901 389630879 /nfs/dbraw/zinc/63/08/79/389630879.db2.gz KLESLUHOLQMZPE-AWEZNQCLSA-N 2 2 291.399 0.125 20 0 CCADLP Cc1cc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)nn1C ZINC000414709901 389630883 /nfs/dbraw/zinc/63/08/83/389630883.db2.gz KLESLUHOLQMZPE-AWEZNQCLSA-N 2 2 291.399 0.125 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC(O)(C(F)F)CC1)C1CC1 ZINC000351612993 389633493 /nfs/dbraw/zinc/63/34/93/389633493.db2.gz ZCVWYYYSFPHMLI-NSHDSACASA-N 2 2 278.343 0.534 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(O)(C(F)F)CC1)C1CC1 ZINC000351612993 389633501 /nfs/dbraw/zinc/63/35/01/389633501.db2.gz ZCVWYYYSFPHMLI-NSHDSACASA-N 2 2 278.343 0.534 20 0 CCADLP C[N@H+](CC(=O)N1CCn2c[nH+]cc2C1)[C@@H]1CCSC1 ZINC000336451890 389636886 /nfs/dbraw/zinc/63/68/86/389636886.db2.gz AOCPOPUPIUXETN-LLVKDONJSA-N 2 2 280.397 0.663 20 0 CCADLP C[N@@H+](CC(=O)N1CCn2c[nH+]cc2C1)[C@@H]1CCSC1 ZINC000336451890 389636889 /nfs/dbraw/zinc/63/68/89/389636889.db2.gz AOCPOPUPIUXETN-LLVKDONJSA-N 2 2 280.397 0.663 20 0 CCADLP C[NH2+]CC[NH2+][C@@H](C)Cn1cc(Br)cn1 ZINC000414824038 389639393 /nfs/dbraw/zinc/63/93/93/389639393.db2.gz JNSMTYDNAQMNRP-QMMMGPOBSA-N 2 2 261.167 0.843 20 0 CCADLP CCC[NH+]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000336530149 389643698 /nfs/dbraw/zinc/64/36/98/389643698.db2.gz JWGOGTPCZOJWRY-CYBMUJFWSA-N 2 2 276.384 1.000 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(C)(O)CC2)CC1 ZINC000177325517 389579090 /nfs/dbraw/zinc/57/90/90/389579090.db2.gz PPMRIRNCBKOFSR-CYBMUJFWSA-N 2 2 283.416 0.386 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)NC(N)=O ZINC000177312073 389579385 /nfs/dbraw/zinc/57/93/85/389579385.db2.gz GPJQPIHUSLSHNB-MNOVXSKESA-N 2 2 268.361 0.130 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)NC(N)=O ZINC000177312073 389579389 /nfs/dbraw/zinc/57/93/89/389579389.db2.gz GPJQPIHUSLSHNB-MNOVXSKESA-N 2 2 268.361 0.130 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)NC(N)=O ZINC000177312073 389579394 /nfs/dbraw/zinc/57/93/94/389579394.db2.gz GPJQPIHUSLSHNB-MNOVXSKESA-N 2 2 268.361 0.130 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)NC(N)=O ZINC000177312073 389579399 /nfs/dbraw/zinc/57/93/99/389579399.db2.gz GPJQPIHUSLSHNB-MNOVXSKESA-N 2 2 268.361 0.130 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H](C)CC[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000423433754 389586648 /nfs/dbraw/zinc/58/66/48/389586648.db2.gz PMDQYGGGHNTGHO-KBXIAJHMSA-N 2 2 295.427 0.554 20 0 CCADLP COc1coc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1=O ZINC000351477313 389586672 /nfs/dbraw/zinc/58/66/72/389586672.db2.gz NGNUQSHTMCVCQM-MVWJERBFSA-N 2 2 264.325 0.818 20 0 CCADLP COc1coc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1=O ZINC000351477313 389586673 /nfs/dbraw/zinc/58/66/73/389586673.db2.gz NGNUQSHTMCVCQM-MVWJERBFSA-N 2 2 264.325 0.818 20 0 CCADLP CC(C)[C@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@@H](C)[NH3+] ZINC000423449366 389588813 /nfs/dbraw/zinc/58/88/13/389588813.db2.gz WGVGKKCQOXXRGJ-HIFRSBDPSA-N 3 2 298.475 0.748 20 0 CCADLP C[C@@H](C[NH3+])CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000423443375 389589201 /nfs/dbraw/zinc/58/92/01/389589201.db2.gz AILYOLXWHBCXBN-WCQYABFASA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H](C[NH3+])CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000423443375 389589205 /nfs/dbraw/zinc/58/92/05/389589205.db2.gz AILYOLXWHBCXBN-WCQYABFASA-N 2 2 269.389 0.341 20 0 CCADLP CC(C)N1CC[C@@H]([N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000177689353 389590491 /nfs/dbraw/zinc/59/04/91/389590491.db2.gz ZFLQJEWPBFPZAJ-HUUCEWRRSA-N 2 2 295.427 0.650 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@H](C)C[NH3+] ZINC000423462782 389590695 /nfs/dbraw/zinc/59/06/95/389590695.db2.gz URNLBRCQPNQVOT-NEPJUHHUSA-N 2 2 257.378 0.198 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@H](C)C[NH3+] ZINC000423462782 389590698 /nfs/dbraw/zinc/59/06/98/389590698.db2.gz URNLBRCQPNQVOT-NEPJUHHUSA-N 2 2 257.378 0.198 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@@H](C)C[NH3+] ZINC000423462796 389591047 /nfs/dbraw/zinc/59/10/47/389591047.db2.gz URNLBRCQPNQVOT-RYUDHWBXSA-N 2 2 257.378 0.198 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@@H](C)C[NH3+] ZINC000423462796 389591049 /nfs/dbraw/zinc/59/10/49/389591049.db2.gz URNLBRCQPNQVOT-RYUDHWBXSA-N 2 2 257.378 0.198 20 0 CCADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000423481570 389592791 /nfs/dbraw/zinc/59/27/91/389592791.db2.gz WWYOVHABFJROJR-ZYHUDNBSSA-N 2 2 285.413 0.983 20 0 CCADLP CC[C@H](C(=O)NCC[N@@H+]1CCOC(C)(C)C1)[NH+](C)C ZINC000177861618 389593621 /nfs/dbraw/zinc/59/36/21/389593621.db2.gz QKSXXXSYJDLFDF-GFCCVEGCSA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@H](C(=O)NCC[N@H+]1CCOC(C)(C)C1)[NH+](C)C ZINC000177861618 389593625 /nfs/dbraw/zinc/59/36/25/389593625.db2.gz QKSXXXSYJDLFDF-GFCCVEGCSA-N 2 2 271.405 0.554 20 0 CCADLP C[C@@H]1CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)[C@@H]1CO ZINC000425330481 389646107 /nfs/dbraw/zinc/64/61/07/389646107.db2.gz ATQYCBQZNZGYIL-ZYHUDNBSSA-N 2 2 252.362 0.689 20 0 CCADLP C[C@@H]1CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)[C@@H]1CO ZINC000425330481 389646113 /nfs/dbraw/zinc/64/61/13/389646113.db2.gz ATQYCBQZNZGYIL-ZYHUDNBSSA-N 2 2 252.362 0.689 20 0 CCADLP COc1cc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCN2C)c(F)cn1 ZINC000423526045 389599682 /nfs/dbraw/zinc/59/96/82/389599682.db2.gz UWFQHYMQMOQDJE-MNOVXSKESA-N 2 2 282.363 0.784 20 0 CCADLP CC[N@H+](CCNC(=O)[C@@H](c1c[nH+]cn1C)N(C)C)C1CC1 ZINC000280702620 389603734 /nfs/dbraw/zinc/60/37/34/389603734.db2.gz FMAIWELBVDVMPR-CQSZACIVSA-N 2 2 293.415 0.623 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@@H](c1c[nH+]cn1C)N(C)C)C1CC1 ZINC000280702620 389603736 /nfs/dbraw/zinc/60/37/36/389603736.db2.gz FMAIWELBVDVMPR-CQSZACIVSA-N 2 2 293.415 0.623 20 0 CCADLP CC(C)[C@@H](C[NH3+])C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000423761124 389608361 /nfs/dbraw/zinc/60/83/61/389608361.db2.gz RBYPUFXXSXRDLN-QWHCGFSZSA-N 2 2 269.389 0.197 20 0 CCADLP CC(C)[C@@H](C[NH3+])C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000423761124 389608368 /nfs/dbraw/zinc/60/83/68/389608368.db2.gz RBYPUFXXSXRDLN-QWHCGFSZSA-N 2 2 269.389 0.197 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375764604 389709865 /nfs/dbraw/zinc/70/98/65/389709865.db2.gz RLDWYDCTCXQQHB-FKJOKYEKSA-N 2 2 296.415 0.778 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375764604 389709868 /nfs/dbraw/zinc/70/98/68/389709868.db2.gz RLDWYDCTCXQQHB-FKJOKYEKSA-N 2 2 296.415 0.778 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375764604 389709869 /nfs/dbraw/zinc/70/98/69/389709869.db2.gz RLDWYDCTCXQQHB-FKJOKYEKSA-N 2 2 296.415 0.778 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375764604 389709873 /nfs/dbraw/zinc/70/98/73/389709873.db2.gz RLDWYDCTCXQQHB-FKJOKYEKSA-N 2 2 296.415 0.778 20 0 CCADLP CCN(C)c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)cn1 ZINC000414973965 389650582 /nfs/dbraw/zinc/65/05/82/389650582.db2.gz JPBBCAARIKDWSV-AWEZNQCLSA-N 2 2 277.416 0.531 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCCF)CC1 ZINC000179320243 389652310 /nfs/dbraw/zinc/65/23/10/389652310.db2.gz BZRAHLWLHAEMEK-UHFFFAOYSA-N 2 2 274.384 0.671 20 0 CCADLP CN(CC[N@H+](C)CC(=O)N(C)C1CC1)C1CC[NH+](C)CC1 ZINC000180943511 389678493 /nfs/dbraw/zinc/67/84/93/389678493.db2.gz KTRSRZOBDAOLJB-UHFFFAOYSA-N 2 2 296.459 0.565 20 0 CCADLP CN(CC[N@@H+](C)CC(=O)N(C)C1CC1)C1CC[NH+](C)CC1 ZINC000180943511 389678496 /nfs/dbraw/zinc/67/84/96/389678496.db2.gz KTRSRZOBDAOLJB-UHFFFAOYSA-N 2 2 296.459 0.565 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)N(C)C1CC1 ZINC000180943511 389678499 /nfs/dbraw/zinc/67/84/99/389678499.db2.gz KTRSRZOBDAOLJB-UHFFFAOYSA-N 2 2 296.459 0.565 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)N(C)C1CC1 ZINC000180943511 389678502 /nfs/dbraw/zinc/67/85/02/389678502.db2.gz KTRSRZOBDAOLJB-UHFFFAOYSA-N 2 2 296.459 0.565 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427846708 389682569 /nfs/dbraw/zinc/68/25/69/389682569.db2.gz IPRRJTLVQNGTTH-QWRGUYRKSA-N 2 2 271.386 0.611 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000415572071 389692538 /nfs/dbraw/zinc/69/25/38/389692538.db2.gz UNRJJCIHMLOAET-NXEZZACHSA-N 2 2 292.339 0.238 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000415572076 389692960 /nfs/dbraw/zinc/69/29/60/389692960.db2.gz UNRJJCIHMLOAET-ZJUUUORDSA-N 2 2 292.339 0.238 20 0 CCADLP Cc1cnn(C)c1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000375626768 389694226 /nfs/dbraw/zinc/69/42/26/389694226.db2.gz YZLMLBCIWGASMK-OLZOCXBDSA-N 2 2 264.373 0.681 20 0 CCADLP Cc1cnn(C)c1C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000375626768 389694229 /nfs/dbraw/zinc/69/42/29/389694229.db2.gz YZLMLBCIWGASMK-OLZOCXBDSA-N 2 2 264.373 0.681 20 0 CCADLP Cc1nnc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)[nH]1 ZINC000428378252 389695455 /nfs/dbraw/zinc/69/54/55/389695455.db2.gz UGKFARMTGPBHQN-UHFFFAOYSA-N 2 2 294.403 0.003 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000428513887 389704140 /nfs/dbraw/zinc/70/41/40/389704140.db2.gz ZBKKQFIHRZEYHU-ZFWWWQNUSA-N 2 2 295.427 0.386 20 0 CCADLP CC(C)[C@H](C(=O)N1CC[N@H+](CCO)[C@@H](C)C1)[NH+](C)C ZINC000428533714 389705129 /nfs/dbraw/zinc/70/51/29/389705129.db2.gz NPGBGGNBUNCYHS-QWHCGFSZSA-N 2 2 271.405 0.098 20 0 CCADLP CC(C)[C@H](C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1)[NH+](C)C ZINC000428533714 389705132 /nfs/dbraw/zinc/70/51/32/389705132.db2.gz NPGBGGNBUNCYHS-QWHCGFSZSA-N 2 2 271.405 0.098 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCCO3)C2)CC1 ZINC000378096809 389756316 /nfs/dbraw/zinc/75/63/16/389756316.db2.gz SDCDCWKNGWLETN-GFCCVEGCSA-N 2 2 282.388 0.502 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCCO3)C2)CC1 ZINC000378096809 389756318 /nfs/dbraw/zinc/75/63/18/389756318.db2.gz SDCDCWKNGWLETN-GFCCVEGCSA-N 2 2 282.388 0.502 20 0 CCADLP CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000429598687 389761904 /nfs/dbraw/zinc/76/19/04/389761904.db2.gz QETRLWDJVUOVDL-ZDUSSCGKSA-N 2 2 258.325 0.547 20 0 CCADLP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000352155342 389762248 /nfs/dbraw/zinc/76/22/48/389762248.db2.gz XLFQGSDDPKRBEX-GJZGRUSLSA-N 2 2 295.427 0.840 20 0 CCADLP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000352155342 389762249 /nfs/dbraw/zinc/76/22/49/389762249.db2.gz XLFQGSDDPKRBEX-GJZGRUSLSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000352155342 389762252 /nfs/dbraw/zinc/76/22/52/389762252.db2.gz XLFQGSDDPKRBEX-GJZGRUSLSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000352155342 389762254 /nfs/dbraw/zinc/76/22/54/389762254.db2.gz XLFQGSDDPKRBEX-GJZGRUSLSA-N 2 2 295.427 0.840 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCCC[C@H]1O ZINC000388909362 389770746 /nfs/dbraw/zinc/77/07/46/389770746.db2.gz VISIZVYQJWPHIK-BFHYXJOUSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCCC[C@H]1O ZINC000388909362 389770747 /nfs/dbraw/zinc/77/07/47/389770747.db2.gz VISIZVYQJWPHIK-BFHYXJOUSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000388909362 389770748 /nfs/dbraw/zinc/77/07/48/389770748.db2.gz VISIZVYQJWPHIK-BFHYXJOUSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000388909362 389770749 /nfs/dbraw/zinc/77/07/49/389770749.db2.gz VISIZVYQJWPHIK-BFHYXJOUSA-N 2 2 274.405 0.161 20 0 CCADLP CC(C)(CNC(=O)NCCC[NH2+]C1CC1)[NH+]1CCOCC1 ZINC000416813354 389772934 /nfs/dbraw/zinc/77/29/34/389772934.db2.gz FXWQNTZOLVMMDS-UHFFFAOYSA-N 2 2 298.431 0.539 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000416813240 389773168 /nfs/dbraw/zinc/77/31/68/389773168.db2.gz FNXNCERXZRLNPE-MNOVXSKESA-N 2 2 272.393 0.132 20 0 CCADLP O=C(NCCc1cn2ccccc2[nH+]1)N[C@H]1CCC[NH2+]C1 ZINC000416952550 389784217 /nfs/dbraw/zinc/78/42/17/389784217.db2.gz UVQQYUHDGZCUMT-LBPRGKRZSA-N 2 2 287.367 0.928 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000417007789 389789243 /nfs/dbraw/zinc/78/92/43/389789243.db2.gz HXLCRXOSNKOYQR-JTQLQIEISA-N 2 2 265.361 0.684 20 0 CCADLP CC[NH2+]CCNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000417007022 389789256 /nfs/dbraw/zinc/78/92/56/389789256.db2.gz GLWCLZZUSAFIQL-UHFFFAOYSA-N 2 2 265.361 0.556 20 0 CCADLP CN(C)c1ccc(CNC(=O)NCC2([NH3+])CCC2)c[nH+]1 ZINC000417014192 389789583 /nfs/dbraw/zinc/78/95/83/389789583.db2.gz ZXIYPGGXSVQKLE-UHFFFAOYSA-N 2 2 277.372 0.828 20 0 CCADLP CC(C)[C@H](C(=O)N[C@H](C)C[NH+]1CCOCC1)[C@@H](C)[NH3+] ZINC000399379219 389790433 /nfs/dbraw/zinc/79/04/33/389790433.db2.gz HYYLYFLTTWDCDC-UPJWGTAASA-N 2 2 271.405 0.443 20 0 CCADLP CC(C)[C@@H](C(=O)N[C@H](C)C[NH+]1CCOCC1)[C@@H](C)[NH3+] ZINC000399379217 389790643 /nfs/dbraw/zinc/79/06/43/389790643.db2.gz HYYLYFLTTWDCDC-JHJVBQTASA-N 2 2 271.405 0.443 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@]2(CCCOC2)O1 ZINC000352348485 389794607 /nfs/dbraw/zinc/79/46/07/389794607.db2.gz AIFBWUQYZCEXCR-KBMXLJTQSA-N 2 2 298.427 0.711 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@]2(CCCOC2)O1 ZINC000352348485 389794608 /nfs/dbraw/zinc/79/46/08/389794608.db2.gz AIFBWUQYZCEXCR-KBMXLJTQSA-N 2 2 298.427 0.711 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C[C@]2(CCCOC2)O1 ZINC000352348485 389794609 /nfs/dbraw/zinc/79/46/09/389794609.db2.gz AIFBWUQYZCEXCR-KBMXLJTQSA-N 2 2 298.427 0.711 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C[C@]2(CCCOC2)O1 ZINC000352348485 389794610 /nfs/dbraw/zinc/79/46/10/389794610.db2.gz AIFBWUQYZCEXCR-KBMXLJTQSA-N 2 2 298.427 0.711 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)NC(=O)NCCCNc1cccc[nH+]1 ZINC000417082119 389795037 /nfs/dbraw/zinc/79/50/37/389795037.db2.gz RCUJKFXPITWORQ-MNOVXSKESA-N 2 2 265.361 0.919 20 0 CCADLP C[NH+](C)C1(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000416305987 389730432 /nfs/dbraw/zinc/73/04/32/389730432.db2.gz DPEQHZJIAOASTO-CQSZACIVSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+](C)C1(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000416305987 389730433 /nfs/dbraw/zinc/73/04/33/389730433.db2.gz DPEQHZJIAOASTO-CQSZACIVSA-N 2 2 295.427 0.840 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)NCC[C@@H]1CCC[NH2+]C1 ZINC000416430174 389742185 /nfs/dbraw/zinc/74/21/85/389742185.db2.gz ATFZMBCNZMHJNL-ZDUSSCGKSA-N 2 2 279.388 0.962 20 0 CCADLP CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377194539 389745595 /nfs/dbraw/zinc/74/55/95/389745595.db2.gz BBEUPDNGWCPDAL-YPMHNXCESA-N 3 2 268.405 0.008 20 0 CCADLP CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377194539 389745596 /nfs/dbraw/zinc/74/55/96/389745596.db2.gz BBEUPDNGWCPDAL-YPMHNXCESA-N 3 2 268.405 0.008 20 0 CCADLP CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377194538 389745652 /nfs/dbraw/zinc/74/56/52/389745652.db2.gz BBEUPDNGWCPDAL-AAEUAGOBSA-N 3 2 268.405 0.008 20 0 CCADLP CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377194538 389745653 /nfs/dbraw/zinc/74/56/53/389745653.db2.gz BBEUPDNGWCPDAL-AAEUAGOBSA-N 3 2 268.405 0.008 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000430553758 389806931 /nfs/dbraw/zinc/80/69/31/389806931.db2.gz LVVHKWRCNJOZEP-GHMZBOCLSA-N 2 2 275.356 0.582 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000430553758 389806933 /nfs/dbraw/zinc/80/69/33/389806933.db2.gz LVVHKWRCNJOZEP-GHMZBOCLSA-N 2 2 275.356 0.582 20 0 CCADLP Cc1cc(NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C)no1 ZINC000430572676 389808350 /nfs/dbraw/zinc/80/83/50/389808350.db2.gz GBJPOLAUKQPNBJ-LBPRGKRZSA-N 2 2 254.334 0.306 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](C[NH3+])C2)CC1 ZINC000430603709 389812392 /nfs/dbraw/zinc/81/23/92/389812392.db2.gz KWYOCIBKZHIVIN-ZIAGYGMSSA-N 3 2 282.432 0.210 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](C[NH3+])C2)CC1 ZINC000430603709 389812393 /nfs/dbraw/zinc/81/23/93/389812393.db2.gz KWYOCIBKZHIVIN-ZIAGYGMSSA-N 3 2 282.432 0.210 20 0 CCADLP C[C@@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCC([NH3+])CC1 ZINC000430616392 389813543 /nfs/dbraw/zinc/81/35/43/389813543.db2.gz GFWQXQBXKVFYKO-JQWIXIFHSA-N 2 2 255.362 0.093 20 0 CCADLP C[C@H]1C[C@H](NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC[NH2+]1 ZINC000417412732 389814238 /nfs/dbraw/zinc/81/42/38/389814238.db2.gz FTWWDNSRYTTZLA-QWHCGFSZSA-N 2 2 298.431 0.537 20 0 CCADLP C[C@H]1C[C@H](NC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC[NH2+]1 ZINC000417412732 389814241 /nfs/dbraw/zinc/81/42/41/389814241.db2.gz FTWWDNSRYTTZLA-QWHCGFSZSA-N 2 2 298.431 0.537 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)NC2CCC([NH3+])CC2)CCO1 ZINC000417430986 389816081 /nfs/dbraw/zinc/81/60/81/389816081.db2.gz YWGZVGJMKODFRP-UHFFFAOYSA-N 2 2 298.431 0.666 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)NC2CCC([NH3+])CC2)CCO1 ZINC000417430986 389816082 /nfs/dbraw/zinc/81/60/82/389816082.db2.gz YWGZVGJMKODFRP-UHFFFAOYSA-N 2 2 298.431 0.666 20 0 CCADLP Cn1cc(N2CCC[C@@H]([N@@H+]3CCC[C@H](C[NH3+])C3)C2=O)cn1 ZINC000430659380 389817053 /nfs/dbraw/zinc/81/70/53/389817053.db2.gz ZNHYTRUSPOGDCG-TZMCWYRMSA-N 2 2 291.399 0.586 20 0 CCADLP Cn1cc(N2CCC[C@@H]([N@H+]3CCC[C@H](C[NH3+])C3)C2=O)cn1 ZINC000430659380 389817054 /nfs/dbraw/zinc/81/70/54/389817054.db2.gz ZNHYTRUSPOGDCG-TZMCWYRMSA-N 2 2 291.399 0.586 20 0 CCADLP [NH3+]CCCC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000430689381 389818191 /nfs/dbraw/zinc/81/81/91/389818191.db2.gz CIPGIZIPUIXCNF-UHFFFAOYSA-N 2 2 250.346 0.617 20 0 CCADLP COc1ccccc1[C@H]([NH3+])C(=O)NCC[NH+]1CCCC1 ZINC000430821490 389827400 /nfs/dbraw/zinc/82/74/00/389827400.db2.gz LYMWIZQOYJVGMT-AWEZNQCLSA-N 2 2 277.368 0.907 20 0 CCADLP C[NH2+][C@H]1CCCN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC000417533342 389827685 /nfs/dbraw/zinc/82/76/85/389827685.db2.gz XJHFHVFHHVYUII-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP C[NH2+][C@H]1CCCN(C(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC000417533342 389827689 /nfs/dbraw/zinc/82/76/89/389827689.db2.gz XJHFHVFHHVYUII-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP COCc1cccc(CNC(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000430930219 389836344 /nfs/dbraw/zinc/83/63/44/389836344.db2.gz XIZFQNCJDMTCSQ-OAHLLOKOSA-N 2 2 291.395 0.730 20 0 CCADLP COCc1cccc(CNC(=O)C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000430930219 389836346 /nfs/dbraw/zinc/83/63/46/389836346.db2.gz XIZFQNCJDMTCSQ-OAHLLOKOSA-N 2 2 291.395 0.730 20 0 CCADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)C1 ZINC000430952625 389839594 /nfs/dbraw/zinc/83/95/94/389839594.db2.gz ZNPVDTYUTFDOQK-IHRRRGAJSA-N 2 2 281.400 0.437 20 0 CCADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)C1 ZINC000430952625 389839600 /nfs/dbraw/zinc/83/96/00/389839600.db2.gz ZNPVDTYUTFDOQK-IHRRRGAJSA-N 2 2 281.400 0.437 20 0 CCADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)NCCc2c(F)cccc2F)C1 ZINC000430963185 389841283 /nfs/dbraw/zinc/84/12/83/389841283.db2.gz SKKBMVAKJIDHNF-NSHDSACASA-N 2 2 297.349 0.904 20 0 CCADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)NCCc2c(F)cccc2F)C1 ZINC000430963185 389841289 /nfs/dbraw/zinc/84/12/89/389841289.db2.gz SKKBMVAKJIDHNF-NSHDSACASA-N 2 2 297.349 0.904 20 0 CCADLP C[C@H]([NH3+])CC(=O)NC1(c2noc(C[NH+](C)C)n2)CCCC1 ZINC000431036588 389846698 /nfs/dbraw/zinc/84/66/98/389846698.db2.gz FVCMKRBVRLWLQG-JTQLQIEISA-N 2 2 295.387 0.754 20 0 CCADLP O=C(COC1C[NH2+]C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000431058545 389848750 /nfs/dbraw/zinc/84/87/50/389848750.db2.gz NJIHFBIEHLYYRX-UHFFFAOYSA-N 2 2 264.329 0.035 20 0 CCADLP C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000443343259 389878941 /nfs/dbraw/zinc/87/89/41/389878941.db2.gz IPSRHMIPHVOHQR-RDBSUJKOSA-N 2 2 283.416 0.242 20 0 CCADLP C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000443343259 389878943 /nfs/dbraw/zinc/87/89/43/389878943.db2.gz IPSRHMIPHVOHQR-RDBSUJKOSA-N 2 2 283.416 0.242 20 0 CCADLP Cn1c[nH+]cc1CNc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000433185811 389904472 /nfs/dbraw/zinc/90/44/72/389904472.db2.gz GGLLDAHWEWJRAO-UHFFFAOYSA-N 2 2 299.378 0.876 20 0 CCADLP Cn1c[nH+]cc1CNc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000433185811 389904474 /nfs/dbraw/zinc/90/44/74/389904474.db2.gz GGLLDAHWEWJRAO-UHFFFAOYSA-N 2 2 299.378 0.876 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000444382458 389905158 /nfs/dbraw/zinc/90/51/58/389905158.db2.gz GDMDXOFFTFLWSM-KGLIPLIRSA-N 2 2 283.416 0.386 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000444382458 389905159 /nfs/dbraw/zinc/90/51/59/389905159.db2.gz GDMDXOFFTFLWSM-KGLIPLIRSA-N 2 2 283.416 0.386 20 0 CCADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)c1coc(C[NH3+])c1 ZINC000444167642 389894104 /nfs/dbraw/zinc/89/41/04/389894104.db2.gz FPSYJVLYSVTFGE-LLVKDONJSA-N 2 2 281.356 0.579 20 0 CCADLP O=C([C@H]1CC[NH2+]1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000444184988 389895864 /nfs/dbraw/zinc/89/58/64/389895864.db2.gz PRDMGDQCMCQUEN-CQSZACIVSA-N 2 2 275.352 0.398 20 0 CCADLP CC(C)[C@@H](C[NH3+])C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000433158727 389902474 /nfs/dbraw/zinc/90/24/74/389902474.db2.gz QBBKSUBEJMNXMM-NWDGAFQWSA-N 2 2 257.378 0.054 20 0 CCADLP CC1(C)CC([NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000433282032 389907849 /nfs/dbraw/zinc/90/78/49/389907849.db2.gz LUFUKILRCSAAGX-ZDUSSCGKSA-N 2 2 295.427 0.698 20 0 CCADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000419684403 389906302 /nfs/dbraw/zinc/90/63/02/389906302.db2.gz LXXSCRBZCJMXSB-NWDGAFQWSA-N 2 2 295.387 0.022 20 0 CCADLP C[N@H+](CC(=O)NCC1CCC1)[C@@H]1CCC[NH2+]CC1 ZINC000435621750 389958999 /nfs/dbraw/zinc/95/89/99/389958999.db2.gz OLACYWYYYZRCLV-CYBMUJFWSA-N 2 2 253.390 0.977 20 0 CCADLP C[N@@H+](CC(=O)NCC1CCC1)[C@@H]1CCC[NH2+]CC1 ZINC000435621750 389959000 /nfs/dbraw/zinc/95/90/00/389959000.db2.gz OLACYWYYYZRCLV-CYBMUJFWSA-N 2 2 253.390 0.977 20 0 CCADLP OC[C@H]([NH2+]Cc1cccc2[nH+]ccn21)[C@@H]1CCCO1 ZINC000447969939 389975841 /nfs/dbraw/zinc/97/58/41/389975841.db2.gz APGVLTSPKZVYDK-STQMWFEESA-N 2 2 261.325 0.964 20 0 CCADLP CCCCNc1cc(NC[C@H](C)C[NH2+]C)nc(N)[nH+]1 ZINC000420183765 389963515 /nfs/dbraw/zinc/96/35/15/389963515.db2.gz AFPNXMORHPOZFT-SNVBAGLBSA-N 2 2 266.393 0.790 20 0 CCADLP CCCCNc1cc(NC[C@H](C)C[NH2+]C)[nH+]c(N)n1 ZINC000420183765 389963518 /nfs/dbraw/zinc/96/35/18/389963518.db2.gz AFPNXMORHPOZFT-SNVBAGLBSA-N 2 2 266.393 0.790 20 0 CCADLP C[NH2+]CCC[N@@H+](CC(=O)N1CCCC1)C[C@@H]1CCCO1 ZINC000435881978 389965087 /nfs/dbraw/zinc/96/50/87/389965087.db2.gz WUZCUOOTZMLPHJ-AWEZNQCLSA-N 2 2 283.416 0.699 20 0 CCADLP C[NH2+]CCC[N@H+](CC(=O)N1CCCC1)C[C@@H]1CCCO1 ZINC000435881978 389965089 /nfs/dbraw/zinc/96/50/89/389965089.db2.gz WUZCUOOTZMLPHJ-AWEZNQCLSA-N 2 2 283.416 0.699 20 0 CCADLP Cc1noc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])n1 ZINC000436061290 389969941 /nfs/dbraw/zinc/96/99/41/389969941.db2.gz TXFJKRHBMYSRBE-NSHDSACASA-N 2 2 281.360 0.198 20 0 CCADLP Cc1noc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])n1 ZINC000436061290 389969944 /nfs/dbraw/zinc/96/99/44/389969944.db2.gz TXFJKRHBMYSRBE-NSHDSACASA-N 2 2 281.360 0.198 20 0 CCADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1CC[NH+]1CCOCC1 ZINC000444674604 389912976 /nfs/dbraw/zinc/91/29/76/389912976.db2.gz PFFKBYSNJKDPQT-CQSZACIVSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1CC[NH+]1CCOCC1 ZINC000444674604 389912978 /nfs/dbraw/zinc/91/29/78/389912978.db2.gz PFFKBYSNJKDPQT-CQSZACIVSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H](O)[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000419808292 389917599 /nfs/dbraw/zinc/91/75/99/389917599.db2.gz JMFKLFCZNQQYML-CZUORRHYSA-N 2 2 278.396 0.982 20 0 CCADLP CCC[C@@]1(CO)CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000444780606 389918655 /nfs/dbraw/zinc/91/86/55/389918655.db2.gz GEHBQTMLVJJSTO-HNNXBMFYSA-N 2 2 283.416 0.387 20 0 CCADLP CCC[C@@]1(CO)CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000444780606 389918658 /nfs/dbraw/zinc/91/86/58/389918658.db2.gz GEHBQTMLVJJSTO-HNNXBMFYSA-N 2 2 283.416 0.387 20 0 CCADLP C[C@@H](O)CNc1cc(N2CCC[C@H](CC[NH3+])C2)nc[nH+]1 ZINC000420246736 389972803 /nfs/dbraw/zinc/97/28/03/389972803.db2.gz SOTYEQSTNOYMNJ-VXGBXAGGSA-N 2 2 279.388 0.835 20 0 CCADLP C[C@@H](O)CNc1cc(N2CCC[C@H](CC[NH3+])C2)[nH+]cn1 ZINC000420246736 389972804 /nfs/dbraw/zinc/97/28/04/389972804.db2.gz SOTYEQSTNOYMNJ-VXGBXAGGSA-N 2 2 279.388 0.835 20 0 CCADLP C[C@@H]1C[N@H+](C)CCN1c1cc(N2CCOCC2)[nH+]cn1 ZINC000434097396 389924096 /nfs/dbraw/zinc/92/40/96/389924096.db2.gz HIZFEPNFDNVXGN-GFCCVEGCSA-N 2 2 277.372 0.454 20 0 CCADLP C[C@@H]1C[N@@H+](C)CCN1c1cc(N2CCOCC2)[nH+]cn1 ZINC000434097396 389924100 /nfs/dbraw/zinc/92/41/00/389924100.db2.gz HIZFEPNFDNVXGN-GFCCVEGCSA-N 2 2 277.372 0.454 20 0 CCADLP Cc1cc(NC(=O)CC[N@H+](C2CC2)[C@H]2CC[NH2+]C2)no1 ZINC000435231389 389953596 /nfs/dbraw/zinc/95/35/96/389953596.db2.gz VMXUXVAKPVOQJI-LBPRGKRZSA-N 2 2 278.356 0.560 20 0 CCADLP Cc1cc(NC(=O)CC[N@@H+](C2CC2)[C@H]2CC[NH2+]C2)no1 ZINC000435231389 389953599 /nfs/dbraw/zinc/95/35/99/389953599.db2.gz VMXUXVAKPVOQJI-LBPRGKRZSA-N 2 2 278.356 0.560 20 0 CCADLP CSc1cccc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000420350629 389988352 /nfs/dbraw/zinc/98/83/52/389988352.db2.gz HKKNEIKWHQYQBE-PWSUYJOCSA-N 2 2 297.424 0.987 20 0 CCADLP CSc1cccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000420350629 389988354 /nfs/dbraw/zinc/98/83/54/389988354.db2.gz HKKNEIKWHQYQBE-PWSUYJOCSA-N 2 2 297.424 0.987 20 0 CCADLP CC(C)[C@H](NC(=O)C[N@H+](C)C[C@@H](O)C[NH3+])c1ccccc1 ZINC000420351317 389988948 /nfs/dbraw/zinc/98/89/48/389988948.db2.gz JUBIHUVACHLQEK-HOCLYGCPSA-N 2 2 293.411 0.751 20 0 CCADLP CC(C)[C@H](NC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])c1ccccc1 ZINC000420351317 389988950 /nfs/dbraw/zinc/98/89/50/389988950.db2.gz JUBIHUVACHLQEK-HOCLYGCPSA-N 2 2 293.411 0.751 20 0 CCADLP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420351777 389989172 /nfs/dbraw/zinc/98/91/72/389989172.db2.gz KXAXNJOTNMWBLB-GXFFZTMASA-N 2 2 299.802 0.596 20 0 CCADLP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420351777 389989175 /nfs/dbraw/zinc/98/91/75/389989175.db2.gz KXAXNJOTNMWBLB-GXFFZTMASA-N 2 2 299.802 0.596 20 0 CCADLP CC(=O)[C@@H](NC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C)C(C)C ZINC000420353059 389989437 /nfs/dbraw/zinc/98/94/37/389989437.db2.gz BHGIJGPPSUAWNX-YPMHNXCESA-N 2 2 271.405 0.679 20 0 CCADLP Cc1ccccc1CNC(=O)[C@H](C)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420352844 389989539 /nfs/dbraw/zinc/98/95/39/389989539.db2.gz MVGWPVBNSAKZQR-GXTWGEPZSA-N 2 2 279.384 0.251 20 0 CCADLP Cc1ccccc1CNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420352844 389989542 /nfs/dbraw/zinc/98/95/42/389989542.db2.gz MVGWPVBNSAKZQR-GXTWGEPZSA-N 2 2 279.384 0.251 20 0 CCADLP C[C@@H]([NH3+])C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000420375500 389994450 /nfs/dbraw/zinc/99/44/50/389994450.db2.gz POTFSCGVRNWKOB-DYEKYZERSA-N 2 2 283.395 0.612 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000420375500 389994453 /nfs/dbraw/zinc/99/44/53/389994453.db2.gz POTFSCGVRNWKOB-DYEKYZERSA-N 2 2 283.395 0.612 20 0 CCADLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000420383750 389995391 /nfs/dbraw/zinc/99/53/91/389995391.db2.gz ZZAQWNXCCKYINE-GHMZBOCLSA-N 2 2 285.413 0.935 20 0 CCADLP CC(=O)[C@](C)(O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000450505139 389997490 /nfs/dbraw/zinc/99/74/90/389997490.db2.gz XUNRHEIPFVGEQG-MELADBBJSA-N 2 2 254.374 0.743 20 0 CCADLP CC(=O)[C@](C)(O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000450505139 389997492 /nfs/dbraw/zinc/99/74/92/389997492.db2.gz XUNRHEIPFVGEQG-MELADBBJSA-N 2 2 254.374 0.743 20 0 CCADLP CC(=O)[C@](C)(O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000450505139 389997493 /nfs/dbraw/zinc/99/74/93/389997493.db2.gz XUNRHEIPFVGEQG-MELADBBJSA-N 2 2 254.374 0.743 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420403193 389997501 /nfs/dbraw/zinc/99/75/01/389997501.db2.gz KUFJNOJDCRLIRJ-VXGBXAGGSA-N 2 2 257.378 0.056 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420403193 389997503 /nfs/dbraw/zinc/99/75/03/389997503.db2.gz KUFJNOJDCRLIRJ-VXGBXAGGSA-N 2 2 257.378 0.056 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420403192 389997511 /nfs/dbraw/zinc/99/75/11/389997511.db2.gz KUFJNOJDCRLIRJ-RYUDHWBXSA-N 2 2 257.378 0.056 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420403192 389997513 /nfs/dbraw/zinc/99/75/13/389997513.db2.gz KUFJNOJDCRLIRJ-RYUDHWBXSA-N 2 2 257.378 0.056 20 0 CCADLP CC(=O)[C@](C)(O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000450505139 389997496 /nfs/dbraw/zinc/99/74/96/389997496.db2.gz XUNRHEIPFVGEQG-MELADBBJSA-N 2 2 254.374 0.743 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420404599 389997624 /nfs/dbraw/zinc/99/76/24/389997624.db2.gz MHUXQJPWECOFSO-KGLIPLIRSA-N 2 2 285.432 0.836 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420404599 389997625 /nfs/dbraw/zinc/99/76/25/389997625.db2.gz MHUXQJPWECOFSO-KGLIPLIRSA-N 2 2 285.432 0.836 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NCC2CCC2)C[C@H]1C[NH3+] ZINC000420416263 389999162 /nfs/dbraw/zinc/99/91/62/389999162.db2.gz VQIKUHZKAJNDIY-WCQYABFASA-N 2 2 253.390 0.819 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)NCC2CCC2)C[C@H]1C[NH3+] ZINC000420416263 389999165 /nfs/dbraw/zinc/99/91/65/389999165.db2.gz VQIKUHZKAJNDIY-WCQYABFASA-N 2 2 253.390 0.819 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000451223452 390001303 /nfs/dbraw/zinc/00/13/03/390001303.db2.gz STDGGGMCWFCRQN-FQUUOJAGSA-N 2 2 253.390 0.389 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000451223452 390001305 /nfs/dbraw/zinc/00/13/05/390001305.db2.gz STDGGGMCWFCRQN-FQUUOJAGSA-N 2 2 253.390 0.389 20 0 CCADLP CC1(C)OCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000453255879 390009201 /nfs/dbraw/zinc/00/92/01/390009201.db2.gz FSJVGWYBDVROAK-STQMWFEESA-N 2 2 256.390 0.990 20 0 CCADLP CC1(C)OCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000453255879 390009203 /nfs/dbraw/zinc/00/92/03/390009203.db2.gz FSJVGWYBDVROAK-STQMWFEESA-N 2 2 256.390 0.990 20 0 CCADLP C[C@H]1C[C@H](C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CO1 ZINC000439284632 390018949 /nfs/dbraw/zinc/01/89/49/390018949.db2.gz ZLVAYEWGYYAFNK-KBPBESRZSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@H]1C[C@H](C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CO1 ZINC000439284632 390018952 /nfs/dbraw/zinc/01/89/52/390018952.db2.gz ZLVAYEWGYYAFNK-KBPBESRZSA-N 2 2 297.443 0.896 20 0 CCADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2C)[C@H]1SC ZINC000459423102 390074205 /nfs/dbraw/zinc/07/42/05/390074205.db2.gz YTVWKPIZZRDSQP-XJFOESAGSA-N 2 2 287.473 0.731 20 0 CCADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)[C@H]1SC ZINC000459423102 390074206 /nfs/dbraw/zinc/07/42/06/390074206.db2.gz YTVWKPIZZRDSQP-XJFOESAGSA-N 2 2 287.473 0.731 20 0 CCADLP CC[N@@H+]1C[C@@H](C)N(CCC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000459472506 390075088 /nfs/dbraw/zinc/07/50/88/390075088.db2.gz XLEYZUOKHQWUOO-GASCZTMLSA-N 2 2 296.459 0.565 20 0 CCADLP CCN1C[C@@H](C)[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000459472506 390075089 /nfs/dbraw/zinc/07/50/89/390075089.db2.gz XLEYZUOKHQWUOO-GASCZTMLSA-N 2 2 296.459 0.565 20 0 CCADLP CCN1C[C@@H](C)[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000459472506 390075090 /nfs/dbraw/zinc/07/50/90/390075090.db2.gz XLEYZUOKHQWUOO-GASCZTMLSA-N 2 2 296.459 0.565 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000492688916 390118382 /nfs/dbraw/zinc/11/83/82/390118382.db2.gz LLMXMXZEDVBHMF-ZFDPJTLLSA-N 2 2 292.383 0.441 20 0 CCADLP C[C@@H](C(=O)N(C)CCCn1cc[nH+]c1)N1CC[NH+](C)CC1 ZINC000488287249 390092524 /nfs/dbraw/zinc/09/25/24/390092524.db2.gz RFGGLPVCNLZQHT-AWEZNQCLSA-N 2 2 293.415 0.368 20 0 CCADLP Cc1nc(N(C)C)nc(NCC(C)(C)C[NH+](C)C)[nH+]1 ZINC000489484519 390100547 /nfs/dbraw/zinc/10/05/47/390100547.db2.gz UPTBONZEPSFBON-UHFFFAOYSA-N 2 2 266.393 0.668 20 0 CCADLP Cc1nc(NCC(C)(C)C[NH+](C)C)nc(N(C)C)[nH+]1 ZINC000489484519 390100548 /nfs/dbraw/zinc/10/05/48/390100548.db2.gz UPTBONZEPSFBON-UHFFFAOYSA-N 2 2 266.393 0.668 20 0 CCADLP CCC[NH+]1CCC(NC(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000527643424 285356947 /nfs/dbraw/zinc/35/69/47/285356947.db2.gz PPWWCEAKNYZAGX-CQSZACIVSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[NH+]1CCC(NC(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000527643424 285356950 /nfs/dbraw/zinc/35/69/50/285356950.db2.gz PPWWCEAKNYZAGX-CQSZACIVSA-N 2 2 298.431 0.491 20 0 CCADLP COC(=O)NCC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000491565998 390114923 /nfs/dbraw/zinc/11/49/23/390114923.db2.gz BPFLUPKBYYVSSF-UHFFFAOYSA-N 2 2 275.268 0.562 20 0 CCADLP CCc1noc([C@H](C)[N@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000647835282 390185932 /nfs/dbraw/zinc/18/59/32/390185932.db2.gz SWUQOXPZYUDZIF-NSHDSACASA-N 2 2 267.377 0.530 20 0 CCADLP CCc1noc([C@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000647835282 390185937 /nfs/dbraw/zinc/18/59/37/390185937.db2.gz SWUQOXPZYUDZIF-NSHDSACASA-N 2 2 267.377 0.530 20 0 CCADLP CN(C(=O)/C=C/c1[nH]cc[nH+]1)C(C)(C)C[NH+]1CCOCC1 ZINC000493452276 390125931 /nfs/dbraw/zinc/12/59/31/390125931.db2.gz DHCVSRQUFQCPDA-SNAWJCMRSA-N 2 2 292.383 0.992 20 0 CCADLP CC(C)(C[NH+]1CCOCC1)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493843284 390128589 /nfs/dbraw/zinc/12/85/89/390128589.db2.gz JNILAZJNIQHKTO-ONEGZZNKSA-N 2 2 278.356 0.650 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000535034934 390136580 /nfs/dbraw/zinc/13/65/80/390136580.db2.gz KHYNDNGTBOKZFD-CYBMUJFWSA-N 2 2 277.372 0.681 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000535034934 390136582 /nfs/dbraw/zinc/13/65/82/390136582.db2.gz KHYNDNGTBOKZFD-CYBMUJFWSA-N 2 2 277.372 0.681 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000493993326 390139077 /nfs/dbraw/zinc/13/90/77/390139077.db2.gz TUOLNLHJASMALG-WDEREUQCSA-N 2 2 265.361 0.037 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1CNc1cc(NC2CC2)[nH+]cn1 ZINC000579092284 390140074 /nfs/dbraw/zinc/14/00/74/390140074.db2.gz XWHISUALHCVLPG-GFCCVEGCSA-N 2 2 276.388 0.709 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1CNc1cc(NC2CC2)[nH+]cn1 ZINC000579092284 390140078 /nfs/dbraw/zinc/14/00/78/390140078.db2.gz XWHISUALHCVLPG-GFCCVEGCSA-N 2 2 276.388 0.709 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCCC[NH2+]C(C)C ZINC000579107758 390141869 /nfs/dbraw/zinc/14/18/69/390141869.db2.gz YNHIGDMABPSXDF-AWEZNQCLSA-N 2 2 285.432 0.992 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCCC[NH2+]C(C)C ZINC000579107758 390141873 /nfs/dbraw/zinc/14/18/73/390141873.db2.gz YNHIGDMABPSXDF-AWEZNQCLSA-N 2 2 285.432 0.992 20 0 CCADLP CCC[C@@H](C(=O)N1CC(n2cc[nH+]c2)C1)[NH+](C)C ZINC000535718185 390147446 /nfs/dbraw/zinc/14/74/46/390147446.db2.gz FAWNNOIVKQVCNZ-LBPRGKRZSA-N 2 2 250.346 0.997 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCN2CCCC2=O)C1 ZINC000535713612 390147800 /nfs/dbraw/zinc/14/78/00/390147800.db2.gz CVDFIVXHXDDWGM-GFCCVEGCSA-N 2 2 262.357 0.832 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC000535713612 390147802 /nfs/dbraw/zinc/14/78/02/390147802.db2.gz CVDFIVXHXDDWGM-GFCCVEGCSA-N 2 2 262.357 0.832 20 0 CCADLP C[NH2+]CCC[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000579247855 390157436 /nfs/dbraw/zinc/15/74/36/390157436.db2.gz NDVDQNQBZDWVGX-UHFFFAOYSA-N 3 2 282.432 0.271 20 0 CCADLP C[NH2+]CCC[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000579247855 390157439 /nfs/dbraw/zinc/15/74/39/390157439.db2.gz NDVDQNQBZDWVGX-UHFFFAOYSA-N 3 2 282.432 0.271 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C[NH+]1CCOCC1 ZINC000647786846 390171614 /nfs/dbraw/zinc/17/16/14/390171614.db2.gz ZVODHZYAVSFCDF-FXUDXRNXSA-N 3 2 281.444 0.932 20 0 CCADLP CCO[C@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000579465015 390174791 /nfs/dbraw/zinc/17/47/91/390174791.db2.gz GNAIUCJJUBRHLZ-KHMAMNHCSA-N 2 2 286.416 0.614 20 0 CCADLP CCO[C@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000579465015 390174792 /nfs/dbraw/zinc/17/47/92/390174792.db2.gz GNAIUCJJUBRHLZ-KHMAMNHCSA-N 2 2 286.416 0.614 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCCCS(C)(=O)=O)C1 ZINC000647845788 390190891 /nfs/dbraw/zinc/19/08/91/390190891.db2.gz NMPNQCWCHRLVTK-VXGBXAGGSA-N 2 2 262.419 0.870 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCCCS(C)(=O)=O)C1 ZINC000647845788 390190894 /nfs/dbraw/zinc/19/08/94/390190894.db2.gz NMPNQCWCHRLVTK-VXGBXAGGSA-N 2 2 262.419 0.870 20 0 CCADLP CCC(CC)C(=O)N1CC[NH+](CCOCC[NH3+])CC1 ZINC000647877121 390204379 /nfs/dbraw/zinc/20/43/79/390204379.db2.gz JAANVXBSBBDHPK-UHFFFAOYSA-N 2 2 271.405 0.542 20 0 CCADLP Cc1cc(CO)cc(NCC[N@@H+]2CCCOCC2)[nH+]1 ZINC000647877924 390204560 /nfs/dbraw/zinc/20/45/60/390204560.db2.gz ILDZUJIPGCNHKS-UHFFFAOYSA-N 2 2 265.357 0.438 20 0 CCADLP Cc1cc(CO)cc(NCC[N@H+]2CCCOCC2)[nH+]1 ZINC000647877924 390204561 /nfs/dbraw/zinc/20/45/61/390204561.db2.gz ILDZUJIPGCNHKS-UHFFFAOYSA-N 2 2 265.357 0.438 20 0 CCADLP O=C(C[N@H+](C[C@H]1CC[NH2+]C1)C[C@@H]1CCCO1)N1CCCC1 ZINC000647889409 390210080 /nfs/dbraw/zinc/21/00/80/390210080.db2.gz OAVGMLHWDAHKOP-GJZGRUSLSA-N 2 2 295.427 0.699 20 0 CCADLP O=C(C[N@@H+](C[C@H]1CC[NH2+]C1)C[C@@H]1CCCO1)N1CCCC1 ZINC000647889409 390210082 /nfs/dbraw/zinc/21/00/82/390210082.db2.gz OAVGMLHWDAHKOP-GJZGRUSLSA-N 2 2 295.427 0.699 20 0 CCADLP CC[NH2+]CCCNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000580053350 390214466 /nfs/dbraw/zinc/21/44/66/390214466.db2.gz WBQSMFIVPMRKJE-UHFFFAOYSA-N 2 2 286.420 0.396 20 0 CCADLP CC[NH2+]CCCNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000580053350 390214471 /nfs/dbraw/zinc/21/44/71/390214471.db2.gz WBQSMFIVPMRKJE-UHFFFAOYSA-N 2 2 286.420 0.396 20 0 CCADLP CC(C)OC1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000540066319 390216656 /nfs/dbraw/zinc/21/66/56/390216656.db2.gz OKAGAQJPZNLSNL-UHFFFAOYSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)([NH3+])CC2)C[C@H](C)O1 ZINC000647927720 390220261 /nfs/dbraw/zinc/22/02/61/390220261.db2.gz BGULDLBZWMGKTP-TXEJJXNPSA-N 2 2 269.389 0.435 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000647937445 390223082 /nfs/dbraw/zinc/22/30/82/390223082.db2.gz ZIYQRALZKZHNCQ-NWDGAFQWSA-N 2 2 257.378 0.198 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000647937445 390223084 /nfs/dbraw/zinc/22/30/84/390223084.db2.gz ZIYQRALZKZHNCQ-NWDGAFQWSA-N 2 2 257.378 0.198 20 0 CCADLP C[N@H+](CCC[NH3+])CC(=O)NCCc1c(F)cccc1F ZINC000647848186 390191953 /nfs/dbraw/zinc/19/19/53/390191953.db2.gz JMPFYNXFLABRIR-UHFFFAOYSA-N 2 2 285.338 0.904 20 0 CCADLP C[N@@H+](CCC[NH3+])CC(=O)NCCc1c(F)cccc1F ZINC000647848186 390191958 /nfs/dbraw/zinc/19/19/58/390191958.db2.gz JMPFYNXFLABRIR-UHFFFAOYSA-N 2 2 285.338 0.904 20 0 CCADLP C[N@H+](CCC[NH3+])CC(=O)NCCOc1cccc(F)c1 ZINC000647848114 390192022 /nfs/dbraw/zinc/19/20/22/390192022.db2.gz FBZMBMZVIITRNN-UHFFFAOYSA-N 2 2 283.347 0.601 20 0 CCADLP C[N@@H+](CCC[NH3+])CC(=O)NCCOc1cccc(F)c1 ZINC000647848114 390192027 /nfs/dbraw/zinc/19/20/27/390192027.db2.gz FBZMBMZVIITRNN-UHFFFAOYSA-N 2 2 283.347 0.601 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000580317247 390237456 /nfs/dbraw/zinc/23/74/56/390237456.db2.gz RGRZRHRYUUNUAM-YPMHNXCESA-N 2 2 272.352 0.782 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@]23CCc2ccccc23)[C@@H](C[NH3+])C1 ZINC000580324096 390238643 /nfs/dbraw/zinc/23/86/43/390238643.db2.gz YUCYOMKGGZPAGX-ZVZYQTTQSA-N 2 2 299.418 0.992 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2C[C@]23CCc2ccccc23)[C@@H](C[NH3+])C1 ZINC000580324096 390238645 /nfs/dbraw/zinc/23/86/45/390238645.db2.gz YUCYOMKGGZPAGX-ZVZYQTTQSA-N 2 2 299.418 0.992 20 0 CCADLP O[C@@H](C[NH2+]Cc1cccc2[nH+]ccn21)[C@@H]1CCCO1 ZINC000527759287 285366119 /nfs/dbraw/zinc/36/61/19/285366119.db2.gz SFBMCTDSYAVZIQ-STQMWFEESA-N 2 2 261.325 0.964 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)[C@@H]2CCCO2)C[N@@H+]1C1CC1 ZINC000527756167 285364507 /nfs/dbraw/zinc/36/45/07/285364507.db2.gz DLZXYXIUZBGHMR-XWUBHJNHSA-N 2 2 254.374 0.741 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)[C@@H]2CCCO2)C[N@H+]1C1CC1 ZINC000527756167 285364508 /nfs/dbraw/zinc/36/45/08/285364508.db2.gz DLZXYXIUZBGHMR-XWUBHJNHSA-N 2 2 254.374 0.741 20 0 CCADLP CC[N@@H+](Cc1cnn(C)c1)C[C@H](O)C[NH+](C)C(C)C ZINC000647968498 390233894 /nfs/dbraw/zinc/23/38/94/390233894.db2.gz GRBLUDKQDQWBGI-CQSZACIVSA-N 2 2 268.405 0.943 20 0 CCADLP CC[N@H+](Cc1cnn(C)c1)C[C@H](O)C[NH+](C)C(C)C ZINC000647968498 390233897 /nfs/dbraw/zinc/23/38/97/390233897.db2.gz GRBLUDKQDQWBGI-CQSZACIVSA-N 2 2 268.405 0.943 20 0 CCADLP CC[NH+](Cc1cnn(C)c1)C[C@H](O)C[N@H+](C)C(C)C ZINC000647968498 390233900 /nfs/dbraw/zinc/23/39/00/390233900.db2.gz GRBLUDKQDQWBGI-CQSZACIVSA-N 2 2 268.405 0.943 20 0 CCADLP CC[NH+](Cc1cnn(C)c1)C[C@H](O)C[N@@H+](C)C(C)C ZINC000647968498 390233902 /nfs/dbraw/zinc/23/39/02/390233902.db2.gz GRBLUDKQDQWBGI-CQSZACIVSA-N 2 2 268.405 0.943 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)CC[C@H]2CC[NH2+]C2)CCO1 ZINC000580835718 390249016 /nfs/dbraw/zinc/24/90/16/390249016.db2.gz LZAHGXZIIBUHPW-STQMWFEESA-N 2 2 269.389 0.213 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)CC[C@H]2CC[NH2+]C2)CCO1 ZINC000580835718 390249019 /nfs/dbraw/zinc/24/90/19/390249019.db2.gz LZAHGXZIIBUHPW-STQMWFEESA-N 2 2 269.389 0.213 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@H](C[NH3+])c2ccccc2)CCO1 ZINC000582183391 390267201 /nfs/dbraw/zinc/26/72/01/390267201.db2.gz LLXQFZTTXPXSMV-DZGCQCFKSA-N 2 2 291.395 0.566 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H](C[NH3+])c2ccccc2)CCO1 ZINC000582183391 390267202 /nfs/dbraw/zinc/26/72/02/390267202.db2.gz LLXQFZTTXPXSMV-DZGCQCFKSA-N 2 2 291.395 0.566 20 0 CCADLP CCn1cc(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cn1 ZINC000644645974 390275875 /nfs/dbraw/zinc/27/58/75/390275875.db2.gz SNVASOYZRMTOIB-ZDUSSCGKSA-N 2 2 252.362 0.448 20 0 CCADLP CCn1cc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cn1 ZINC000644645974 390275878 /nfs/dbraw/zinc/27/58/78/390275878.db2.gz SNVASOYZRMTOIB-ZDUSSCGKSA-N 2 2 252.362 0.448 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000583820250 390315114 /nfs/dbraw/zinc/31/51/14/390315114.db2.gz UMHWTSXEWHWNNB-UBHSHLNASA-N 2 2 256.390 0.798 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000583820250 390315115 /nfs/dbraw/zinc/31/51/15/390315115.db2.gz UMHWTSXEWHWNNB-UBHSHLNASA-N 2 2 256.390 0.798 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000583820250 390315116 /nfs/dbraw/zinc/31/51/16/390315116.db2.gz UMHWTSXEWHWNNB-UBHSHLNASA-N 2 2 256.390 0.798 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000583820250 390315117 /nfs/dbraw/zinc/31/51/17/390315117.db2.gz UMHWTSXEWHWNNB-UBHSHLNASA-N 2 2 256.390 0.798 20 0 CCADLP CCc1ncc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)s1 ZINC000584005396 390333808 /nfs/dbraw/zinc/33/38/08/390333808.db2.gz SHDKSBWWITYSIK-GXSJLCMTSA-N 2 2 280.397 0.449 20 0 CCADLP CCc1ncc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)s1 ZINC000584005396 390333811 /nfs/dbraw/zinc/33/38/11/390333811.db2.gz SHDKSBWWITYSIK-GXSJLCMTSA-N 2 2 280.397 0.449 20 0 CCADLP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC(=O)N1 ZINC000648751343 390401225 /nfs/dbraw/zinc/40/12/25/390401225.db2.gz OXYMCIZRKZLNHM-CYBMUJFWSA-N 2 2 291.395 0.947 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC(=O)N1 ZINC000648751343 390401227 /nfs/dbraw/zinc/40/12/27/390401227.db2.gz OXYMCIZRKZLNHM-CYBMUJFWSA-N 2 2 291.395 0.947 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000497027303 390404840 /nfs/dbraw/zinc/40/48/40/390404840.db2.gz IYNVCPSTLXJXHN-QWHCGFSZSA-N 2 2 287.404 0.462 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000497027303 390404843 /nfs/dbraw/zinc/40/48/43/390404843.db2.gz IYNVCPSTLXJXHN-QWHCGFSZSA-N 2 2 287.404 0.462 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000497027303 390404846 /nfs/dbraw/zinc/40/48/46/390404846.db2.gz IYNVCPSTLXJXHN-QWHCGFSZSA-N 2 2 287.404 0.462 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000497027303 390404849 /nfs/dbraw/zinc/40/48/49/390404849.db2.gz IYNVCPSTLXJXHN-QWHCGFSZSA-N 2 2 287.404 0.462 20 0 CCADLP COC(=O)N1CC([NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])C1 ZINC000497039196 390407233 /nfs/dbraw/zinc/40/72/33/390407233.db2.gz VEUWOBYZDOMKJE-SMDDNHRTSA-N 2 2 277.368 0.985 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000554077517 390421232 /nfs/dbraw/zinc/42/12/32/390421232.db2.gz QEULTKLBABOMNS-CYBMUJFWSA-N 2 2 290.367 0.096 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000554077517 390421236 /nfs/dbraw/zinc/42/12/36/390421236.db2.gz QEULTKLBABOMNS-CYBMUJFWSA-N 2 2 290.367 0.096 20 0 CCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1C ZINC000648866867 390429004 /nfs/dbraw/zinc/42/90/04/390429004.db2.gz RKPKDZWNUUQUPC-IJLUTSLNSA-N 2 2 262.357 0.654 20 0 CCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC[N@H+]1C ZINC000648866867 390429006 /nfs/dbraw/zinc/42/90/06/390429006.db2.gz RKPKDZWNUUQUPC-IJLUTSLNSA-N 2 2 262.357 0.654 20 0 CCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCc3c[nH+]cn3C2)CC[N@@H+]1C ZINC000648900041 390439312 /nfs/dbraw/zinc/43/93/12/390439312.db2.gz GVKKWRYFCBCNAV-NQBHXWOUSA-N 2 2 262.357 0.654 20 0 CCADLP C[C@@H]1[C@H](C(=O)N[C@@H]2CCc3c[nH+]cn3C2)CC[N@H+]1C ZINC000648900041 390439317 /nfs/dbraw/zinc/43/93/17/390439317.db2.gz GVKKWRYFCBCNAV-NQBHXWOUSA-N 2 2 262.357 0.654 20 0 CCADLP COc1nccnc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000648450864 390373819 /nfs/dbraw/zinc/37/38/19/390373819.db2.gz PBLFGRIWEQVKAE-LLVKDONJSA-N 2 2 250.346 0.917 20 0 CCADLP COc1nccnc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000648450864 390373820 /nfs/dbraw/zinc/37/38/20/390373820.db2.gz PBLFGRIWEQVKAE-LLVKDONJSA-N 2 2 250.346 0.917 20 0 CCADLP COC[C@H](CC(C)C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000361352292 285371860 /nfs/dbraw/zinc/37/18/60/285371860.db2.gz PDBXUWADQYWDNW-UONOGXRCSA-N 2 2 257.422 0.883 20 0 CCADLP COC[C@H](CC(C)C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000361352292 285371861 /nfs/dbraw/zinc/37/18/61/285371861.db2.gz PDBXUWADQYWDNW-UONOGXRCSA-N 2 2 257.422 0.883 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C[C@@H]1CN(C)C(=O)O1 ZINC000496974524 390395300 /nfs/dbraw/zinc/39/53/00/390395300.db2.gz NLSHRYNYBZAZMY-CQSZACIVSA-N 2 2 298.431 0.395 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C[C@@H]1CN(C)C(=O)O1 ZINC000496974524 390395304 /nfs/dbraw/zinc/39/53/04/390395304.db2.gz NLSHRYNYBZAZMY-CQSZACIVSA-N 2 2 298.431 0.395 20 0 CCADLP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000645802549 390496776 /nfs/dbraw/zinc/49/67/76/390496776.db2.gz UWZBSTWXUSDBNU-LBPRGKRZSA-N 2 2 256.394 0.578 20 0 CCADLP CC(C)NC(=O)NCC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000645802549 390496780 /nfs/dbraw/zinc/49/67/80/390496780.db2.gz UWZBSTWXUSDBNU-LBPRGKRZSA-N 2 2 256.394 0.578 20 0 CCADLP COC(=O)[C@@](C)(O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000519543157 390506988 /nfs/dbraw/zinc/50/69/88/390506988.db2.gz GDEPWZUFGSYSMY-MFKMUULPSA-N 2 2 267.329 0.133 20 0 CCADLP COC(=O)[C@@](C)(O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000519543157 390506992 /nfs/dbraw/zinc/50/69/92/390506992.db2.gz GDEPWZUFGSYSMY-MFKMUULPSA-N 2 2 267.329 0.133 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NCC[NH+]2CCOC[C@H]2C)C1 ZINC000565372655 390508408 /nfs/dbraw/zinc/50/84/08/390508408.db2.gz XTCHUPCDJUKOBZ-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+]2CCOC[C@H]2C)C1 ZINC000565372655 390508409 /nfs/dbraw/zinc/50/84/09/390508409.db2.gz XTCHUPCDJUKOBZ-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC000565372655 390508412 /nfs/dbraw/zinc/50/84/12/390508412.db2.gz XTCHUPCDJUKOBZ-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC000565372655 390508414 /nfs/dbraw/zinc/50/84/14/390508414.db2.gz XTCHUPCDJUKOBZ-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP OCC1(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CCC1 ZINC000643480608 390453383 /nfs/dbraw/zinc/45/33/83/390453383.db2.gz FZANHCDYGGZUTB-QWHCGFSZSA-N 2 2 254.374 0.506 20 0 CCADLP CC1(C)C[NH2+][C@@H]1C(=O)NCCCCn1cc[nH+]c1 ZINC000645678189 390471525 /nfs/dbraw/zinc/47/15/25/390471525.db2.gz ARGYVYRUKYDAFF-LLVKDONJSA-N 2 2 250.346 0.778 20 0 CCADLP [NH3+]Cc1ccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)o1 ZINC000649321013 390578820 /nfs/dbraw/zinc/57/88/20/390578820.db2.gz IHIFDLXCHQSXGU-OLZOCXBDSA-N 2 2 293.367 0.410 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc(C[NH3+])o1 ZINC000645933038 390534898 /nfs/dbraw/zinc/53/48/98/390534898.db2.gz VOXCYCWHCGPGDZ-SNVBAGLBSA-N 2 2 267.329 0.189 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc(C[NH3+])o1 ZINC000645933038 390534900 /nfs/dbraw/zinc/53/49/00/390534900.db2.gz VOXCYCWHCGPGDZ-SNVBAGLBSA-N 2 2 267.329 0.189 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCCC2(F)F)[C@H](C[NH3+])C1 ZINC000519756129 390538678 /nfs/dbraw/zinc/53/86/78/390538678.db2.gz SAJJSFMEZRIKRA-WDEREUQCSA-N 2 2 290.358 0.706 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCCC2(F)F)[C@H](C[NH3+])C1 ZINC000519756129 390538683 /nfs/dbraw/zinc/53/86/83/390538683.db2.gz SAJJSFMEZRIKRA-WDEREUQCSA-N 2 2 290.358 0.706 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000565719240 390540058 /nfs/dbraw/zinc/54/00/58/390540058.db2.gz NIROMXUCCZNQPQ-TUAOUCFPSA-N 2 2 257.378 0.197 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000565719240 390540061 /nfs/dbraw/zinc/54/00/61/390540061.db2.gz NIROMXUCCZNQPQ-TUAOUCFPSA-N 2 2 257.378 0.197 20 0 CCADLP CC1(OCC(=O)Nc2ccc3[nH+]ccn3c2)C[NH2+]C1 ZINC000649334427 390590316 /nfs/dbraw/zinc/59/03/16/390590316.db2.gz HCVGFBNYMBCFKT-UHFFFAOYSA-N 2 2 260.297 0.651 20 0 CCADLP CC1(OCC(=O)NCCCNc2cccc[nH+]2)C[NH2+]C1 ZINC000649298142 390559217 /nfs/dbraw/zinc/55/92/17/390559217.db2.gz UXIGKFFXLBAUCZ-UHFFFAOYSA-N 2 2 278.356 0.378 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)c2ccc(C[NH3+])o2)CCO1 ZINC000649312373 390570910 /nfs/dbraw/zinc/57/09/10/390570910.db2.gz KRZDQIDYNSCSIR-JTQLQIEISA-N 2 2 267.329 0.189 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)c2ccc(C[NH3+])o2)CCO1 ZINC000649312373 390570914 /nfs/dbraw/zinc/57/09/14/390570914.db2.gz KRZDQIDYNSCSIR-JTQLQIEISA-N 2 2 267.329 0.189 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@H]2C[NH2+]CCC2(F)F)CCO1 ZINC000649312385 390571262 /nfs/dbraw/zinc/57/12/62/390571262.db2.gz LEUUTBCDZWOPIF-WDEREUQCSA-N 2 2 291.342 0.068 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]2C[NH2+]CCC2(F)F)CCO1 ZINC000649312385 390571265 /nfs/dbraw/zinc/57/12/65/390571265.db2.gz LEUUTBCDZWOPIF-WDEREUQCSA-N 2 2 291.342 0.068 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)CCC(C)(C)[NH3+])CCO1 ZINC000649312424 390572248 /nfs/dbraw/zinc/57/22/48/390572248.db2.gz PBMYWEPFKOUQAZ-LLVKDONJSA-N 2 2 257.378 0.341 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)CCC(C)(C)[NH3+])CCO1 ZINC000649312424 390572251 /nfs/dbraw/zinc/57/22/51/390572251.db2.gz PBMYWEPFKOUQAZ-LLVKDONJSA-N 2 2 257.378 0.341 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000522013564 390622140 /nfs/dbraw/zinc/62/21/40/390622140.db2.gz IQYJRSOJEQDJTG-JTQLQIEISA-N 2 2 265.361 0.844 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000522013564 390622142 /nfs/dbraw/zinc/62/21/42/390622142.db2.gz IQYJRSOJEQDJTG-JTQLQIEISA-N 2 2 265.361 0.844 20 0 CCADLP Cc1nc(N)c(CNC(=O)CCCn2cc[nH+]c2)c[nH+]1 ZINC000646165829 390622729 /nfs/dbraw/zinc/62/27/29/390622729.db2.gz NYGZXWXEKFLCMS-UHFFFAOYSA-N 2 2 274.328 0.491 20 0 CCADLP C[C@@H](O)[C@@H]1CCN(c2cc(N[C@H]3CC[NH2+]C3)nc[nH+]2)C1 ZINC000566491446 390622904 /nfs/dbraw/zinc/62/29/04/390622904.db2.gz VVDMVVYRRJSRRX-UTUOFQBUSA-N 2 2 277.372 0.458 20 0 CCADLP Cc1cnccc1C[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000566910515 390657891 /nfs/dbraw/zinc/65/78/91/390657891.db2.gz PJIZCQFKVQKVRM-DZKIICNBSA-N 2 2 293.411 0.950 20 0 CCADLP CCC1(O)CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)CC1 ZINC000566414863 390599688 /nfs/dbraw/zinc/59/96/88/390599688.db2.gz SSJBSVAANNJZDV-ZDUSSCGKSA-N 2 2 274.405 0.162 20 0 CCADLP CCC1(O)CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)CC1 ZINC000566414863 390599693 /nfs/dbraw/zinc/59/96/93/390599693.db2.gz SSJBSVAANNJZDV-ZDUSSCGKSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CO)C[C@@H]1C ZINC000566424653 390602299 /nfs/dbraw/zinc/60/22/99/390602299.db2.gz MQNBTFGMJPMCMY-MELADBBJSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CO)C[C@@H]1C ZINC000566424653 390602302 /nfs/dbraw/zinc/60/23/02/390602302.db2.gz MQNBTFGMJPMCMY-MELADBBJSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](CO)C[C@@H]1C ZINC000566424653 390602304 /nfs/dbraw/zinc/60/23/04/390602304.db2.gz MQNBTFGMJPMCMY-MELADBBJSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](CO)C[C@@H]1C ZINC000566424653 390602306 /nfs/dbraw/zinc/60/23/06/390602306.db2.gz MQNBTFGMJPMCMY-MELADBBJSA-N 2 2 274.405 0.018 20 0 CCADLP O=C1CC[C@@H](C[NH2+][C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](O)C2)CCN1 ZINC000643959945 390607587 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CCADLP CC1([NH+]2CCOCC2)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000529909293 390873081 /nfs/dbraw/zinc/87/30/81/390873081.db2.gz RNOCHLCXISNXRF-UHFFFAOYSA-N 2 2 292.383 0.666 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000578248700 390874407 /nfs/dbraw/zinc/87/44/07/390874407.db2.gz PMYXJONIBJHFHG-QWRGUYRKSA-N 2 2 263.345 0.281 20 0 CCADLP Cc1cc(CNC(=O)NC[C@@H]2COCC[NH2+]2)cc(C)[nH+]1 ZINC000529338413 390812588 /nfs/dbraw/zinc/81/25/88/390812588.db2.gz DFXKWVLHJDXOGH-CYBMUJFWSA-N 2 2 278.356 0.486 20 0 CCADLP C[C@H]([NH3+])[C@@H]1C[N@H+](Cc2ccc(-n3cncn3)cc2)CCO1 ZINC000647508725 390826533 /nfs/dbraw/zinc/82/65/33/390826533.db2.gz ZSHXZTAJJUPGOE-WFASDCNBSA-N 2 2 287.367 0.815 20 0 CCADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](Cc2ccc(-n3cncn3)cc2)CCO1 ZINC000647508725 390826536 /nfs/dbraw/zinc/82/65/36/390826536.db2.gz ZSHXZTAJJUPGOE-WFASDCNBSA-N 2 2 287.367 0.815 20 0 CCADLP C[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1cscn1 ZINC000574928306 390827208 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COCCOc1ccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000647539304 390837249 /nfs/dbraw/zinc/83/72/49/390837249.db2.gz QBHPKHUHLACIKZ-OAHLLOKOSA-N 2 2 293.411 0.787 20 0 CCADLP COCCOc1ccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000647539304 390837252 /nfs/dbraw/zinc/83/72/52/390837252.db2.gz QBHPKHUHLACIKZ-OAHLLOKOSA-N 2 2 293.411 0.787 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000647552831 390840519 /nfs/dbraw/zinc/84/05/19/390840519.db2.gz ZONPHKYWHHEFCE-QWHCGFSZSA-N 3 2 292.431 0.444 20 0 CCADLP CC1(C)CC[N@H+](CC(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000578451684 390884767 /nfs/dbraw/zinc/88/47/67/390884767.db2.gz LTLPRIOQJUBGKB-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP CC1(C)CC[N@@H+](CC(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000578451684 390884768 /nfs/dbraw/zinc/88/47/68/390884768.db2.gz LTLPRIOQJUBGKB-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP CC1(C)CC[NH+](CC(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000578451684 390884771 /nfs/dbraw/zinc/88/47/71/390884771.db2.gz LTLPRIOQJUBGKB-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000533868134 390886865 /nfs/dbraw/zinc/88/68/65/390886865.db2.gz UAOSMULKTYMBIG-CYBMUJFWSA-N 2 2 292.383 0.458 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000533868134 390886866 /nfs/dbraw/zinc/88/68/66/390886866.db2.gz UAOSMULKTYMBIG-CYBMUJFWSA-N 2 2 292.383 0.458 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCc2cc(F)cc(F)c2)[C@H](C[NH3+])C1 ZINC000578504238 390887571 /nfs/dbraw/zinc/88/75/71/390887571.db2.gz RONIOZNQHCSLFO-CYBMUJFWSA-N 2 2 298.337 0.749 20 0 CCADLP C[N@H+]1CCN(C(=O)NCc2cc(F)cc(F)c2)[C@H](C[NH3+])C1 ZINC000578504238 390887575 /nfs/dbraw/zinc/88/75/75/390887575.db2.gz RONIOZNQHCSLFO-CYBMUJFWSA-N 2 2 298.337 0.749 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000578519579 390888694 /nfs/dbraw/zinc/88/86/94/390888694.db2.gz AIHFJVIDTFDJOF-ZNMIVQPWSA-N 2 2 285.432 0.094 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000578519579 390888697 /nfs/dbraw/zinc/88/86/97/390888697.db2.gz AIHFJVIDTFDJOF-ZNMIVQPWSA-N 2 2 285.432 0.094 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000578519579 390888700 /nfs/dbraw/zinc/88/87/00/390888700.db2.gz AIHFJVIDTFDJOF-ZNMIVQPWSA-N 2 2 285.432 0.094 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000578519579 390888702 /nfs/dbraw/zinc/88/87/02/390888702.db2.gz AIHFJVIDTFDJOF-ZNMIVQPWSA-N 2 2 285.432 0.094 20 0 CCADLP CC[N@H+](C)C[C@H](O)CN1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000578519579 390888706 /nfs/dbraw/zinc/88/87/06/390888706.db2.gz AIHFJVIDTFDJOF-ZNMIVQPWSA-N 2 2 285.432 0.094 20 0 CCADLP CC[N@@H+](C)C[C@H](O)CN1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000578519579 390888708 /nfs/dbraw/zinc/88/87/08/390888708.db2.gz AIHFJVIDTFDJOF-ZNMIVQPWSA-N 2 2 285.432 0.094 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC[C@@H]2CCNC2=O)C1 ZINC000578519092 390889185 /nfs/dbraw/zinc/88/91/85/390889185.db2.gz OSPSEIWTIXDJOX-NWDGAFQWSA-N 2 2 262.357 0.736 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC[C@@H]2CCNC2=O)C1 ZINC000578519092 390889187 /nfs/dbraw/zinc/88/91/87/390889187.db2.gz OSPSEIWTIXDJOX-NWDGAFQWSA-N 2 2 262.357 0.736 20 0 CCADLP CO[C@@H](C)[C@H](C)[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000361487624 533356074 /nfs/dbraw/zinc/35/60/74/533356074.db2.gz VOYWCTVWIXMTPT-GJZGRUSLSA-N 2 2 287.448 0.390 20 0 CCADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccnn1C ZINC000453271844 533416951 /nfs/dbraw/zinc/41/69/51/533416951.db2.gz UJOKLVNVYCPEKP-OLZOCXBDSA-N 2 2 266.389 0.918 20 0 CCADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccnn1C ZINC000453271844 533416958 /nfs/dbraw/zinc/41/69/58/533416958.db2.gz UJOKLVNVYCPEKP-OLZOCXBDSA-N 2 2 266.389 0.918 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)NC[C@@H]1CCCO1 ZINC000424277708 533518759 /nfs/dbraw/zinc/51/87/59/533518759.db2.gz AROQUUCTBHADCE-YVECIDJPSA-N 2 2 269.389 0.530 20 0 CCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H](C)[NH2+]C2CC2)CC1 ZINC000449142114 533597096 /nfs/dbraw/zinc/59/70/96/533597096.db2.gz NJNDYROXBUHGBB-VXGBXAGGSA-N 2 2 297.399 0.223 20 0 CCADLP COC(=O)COC[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449399345 533549694 /nfs/dbraw/zinc/54/96/94/533549694.db2.gz ZYWQTMHVTWRJAO-STQMWFEESA-N 2 2 288.388 0.001 20 0 CCADLP COC(=O)COC[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449399345 533549697 /nfs/dbraw/zinc/54/96/97/533549697.db2.gz ZYWQTMHVTWRJAO-STQMWFEESA-N 2 2 288.388 0.001 20 0 CCADLP COC(=O)COC[C@H](C)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000449194018 533551598 /nfs/dbraw/zinc/55/15/98/533551598.db2.gz WSCYSHWYAMLRCL-SRVKXCTJSA-N 2 2 270.373 0.779 20 0 CCADLP COC(=O)COC[C@H](C)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000449194018 533551605 /nfs/dbraw/zinc/55/16/05/533551605.db2.gz WSCYSHWYAMLRCL-SRVKXCTJSA-N 2 2 270.373 0.779 20 0 CCADLP COC(=O)COC[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000449196418 533551750 /nfs/dbraw/zinc/55/17/50/533551750.db2.gz SBZLWSSCKPOGHZ-GVXVVHGQSA-N 2 2 270.373 0.637 20 0 CCADLP COC(=O)COC[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000449196418 533551756 /nfs/dbraw/zinc/55/17/56/533551756.db2.gz SBZLWSSCKPOGHZ-GVXVVHGQSA-N 2 2 270.373 0.637 20 0 CCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCCCn1cc[nH+]c1 ZINC000529282532 285438380 /nfs/dbraw/zinc/43/83/80/285438380.db2.gz QLQHLMVKDNLCQQ-CYBMUJFWSA-N 2 2 279.388 0.913 20 0 CCADLP [NH3+]C1(C[NH2+]CC(=O)NCc2cccs2)CCC1 ZINC000342131000 130289381 /nfs/dbraw/zinc/28/93/81/130289381.db2.gz OHKCAXFSLIHGAB-UHFFFAOYSA-N 2 2 253.371 0.835 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000192092012 130367781 /nfs/dbraw/zinc/36/77/81/130367781.db2.gz OHALDIMEXKEQJK-WDEREUQCSA-N 2 2 260.341 0.976 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000192094435 130370741 /nfs/dbraw/zinc/37/07/41/130370741.db2.gz GAZUUZDTQCRKJH-NWDGAFQWSA-N 2 2 292.383 0.518 20 0 CCADLP C[C@@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@H](C)[NH3+] ZINC000192121482 130377130 /nfs/dbraw/zinc/37/71/30/130377130.db2.gz PAWMNRMMVLIOLU-NEPJUHHUSA-N 3 2 270.421 0.112 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000237171896 131010040 /nfs/dbraw/zinc/01/00/40/131010040.db2.gz QAZJGSISFHSIRY-LLVKDONJSA-N 2 2 294.399 0.791 20 0 CCADLP C[C@@H]([NH3+])C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000237450204 131032305 /nfs/dbraw/zinc/03/23/05/131032305.db2.gz LUQLMNXXBDEPSW-CYBMUJFWSA-N 2 2 277.368 0.557 20 0 CCADLP C[C@H](CC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)[C@H]1CCC[NH2+]C1 ZINC000251543016 131129071 /nfs/dbraw/zinc/12/90/71/131129071.db2.gz LAHWNZRQRZZKDE-QLFBSQMISA-N 2 2 296.459 0.374 20 0 CCADLP C[C@H](CC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)[C@H]1CCC[NH2+]C1 ZINC000251543016 131129073 /nfs/dbraw/zinc/12/90/73/131129073.db2.gz LAHWNZRQRZZKDE-QLFBSQMISA-N 2 2 296.459 0.374 20 0 CCADLP [NH3+]Cc1nc(C(=O)N2CC[NH+](C3CCC3)CC2)cs1 ZINC000262295984 131209251 /nfs/dbraw/zinc/20/92/51/131209251.db2.gz WTUGKQBATGEZEJ-UHFFFAOYSA-N 2 2 280.397 0.912 20 0 CCADLP CN(C)c1ccc(CNC(=O)C[C@@H]2COCC[NH2+]2)c[nH+]1 ZINC000262361170 131215045 /nfs/dbraw/zinc/21/50/45/131215045.db2.gz KKUHPWWKSCDMHS-GFCCVEGCSA-N 2 2 278.356 0.142 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000263864466 131348755 /nfs/dbraw/zinc/34/87/55/131348755.db2.gz BIGLGFILEFGHNK-CYBMUJFWSA-N 2 2 295.387 0.245 20 0 CCADLP CC(C)c1nc(N[C@@H](CO)C[NH+](C)C)nc(N(C)C)[nH+]1 ZINC000685262239 545804775 /nfs/dbraw/zinc/80/47/75/545804775.db2.gz QIQPQEZDJMDLTE-SNVBAGLBSA-N 2 2 282.392 0.395 20 0 CCADLP O=C(NCc1cn2c([nH+]1)CCCC2)[C@H]1CCC[NH2+]C1 ZINC000269256445 132144559 /nfs/dbraw/zinc/14/45/59/132144559.db2.gz SLZOKUDNHIAPLB-NSHDSACASA-N 2 2 262.357 0.835 20 0 CCADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CC(=O)N(C)C3)n2c1 ZINC000269343961 132158207 /nfs/dbraw/zinc/15/82/07/132158207.db2.gz HGMDLHYSCCUNFL-LLVKDONJSA-N 2 2 258.325 0.963 20 0 CCADLP C[C@H](c1nnnn1C)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530239157 285580834 /nfs/dbraw/zinc/58/08/34/285580834.db2.gz DNVIBHWBOCTLSQ-YPMHNXCESA-N 2 2 294.403 0.362 20 0 CCADLP COCC[NH+]1CCC([NH2+]CCc2c[nH+]cn2C)CC1 ZINC000530513317 285622025 /nfs/dbraw/zinc/62/20/25/285622025.db2.gz GFMSOSUCCDWDQF-UHFFFAOYSA-N 3 2 266.389 0.663 20 0 CCADLP C[C@H](Cn1cncn1)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000658026157 413089810 /nfs/dbraw/zinc/08/98/10/413089810.db2.gz RRGHHTGHRNGJAR-CHWSQXEVSA-N 2 2 267.377 0.103 20 0 CCADLP C[C@H](Cn1cncn1)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000658026157 413089813 /nfs/dbraw/zinc/08/98/13/413089813.db2.gz RRGHHTGHRNGJAR-CHWSQXEVSA-N 2 2 267.377 0.103 20 0 CCADLP C[C@H](Cn1cncn1)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000658026158 413090403 /nfs/dbraw/zinc/09/04/03/413090403.db2.gz RRGHHTGHRNGJAR-OLZOCXBDSA-N 2 2 267.377 0.103 20 0 CCADLP C[C@H](Cn1cncn1)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000658026158 413090412 /nfs/dbraw/zinc/09/04/12/413090412.db2.gz RRGHHTGHRNGJAR-OLZOCXBDSA-N 2 2 267.377 0.103 20 0 CCADLP CC[C@H](Cn1cncn1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658294009 413117184 /nfs/dbraw/zinc/11/71/84/413117184.db2.gz DSISMOOVKJUAOR-UKRRQHHQSA-N 2 2 293.415 0.900 20 0 CCADLP CCCNC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917666 397390347 /nfs/dbraw/zinc/39/03/47/397390347.db2.gz UMBWCLPQFJVARX-STQMWFEESA-N 2 2 253.390 0.977 20 0 CCADLP CCCNC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917666 397390353 /nfs/dbraw/zinc/39/03/53/397390353.db2.gz UMBWCLPQFJVARX-STQMWFEESA-N 2 2 253.390 0.977 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[NH+](C)[C@H](C)[C@H]2C)CCO1 ZINC000337292259 397453904 /nfs/dbraw/zinc/45/39/04/397453904.db2.gz FPUACIGSSBRLLG-MGPQQGTHSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](C)[C@H](C)[C@H]2C)CCO1 ZINC000337292259 397453910 /nfs/dbraw/zinc/45/39/10/397453910.db2.gz FPUACIGSSBRLLG-MGPQQGTHSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[N@H+](C)[C@H](C)[C@H]2C)CCO1 ZINC000337292259 397453912 /nfs/dbraw/zinc/45/39/12/397453912.db2.gz FPUACIGSSBRLLG-MGPQQGTHSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[N@@H+](C)[C@H](C)[C@H]2C)CCO1 ZINC000337292259 397453915 /nfs/dbraw/zinc/45/39/15/397453915.db2.gz FPUACIGSSBRLLG-MGPQQGTHSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000356539571 144012371 /nfs/dbraw/zinc/01/23/71/144012371.db2.gz BOWNAERJPFGEMG-QWHCGFSZSA-N 2 2 284.404 0.053 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N1CCC[N@H+](C)CC1)[NH+]1CCOCC1 ZINC000356555591 144013976 /nfs/dbraw/zinc/01/39/76/144013976.db2.gz WUGVKGNNWBAWLN-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N1CCC[N@@H+](C)CC1)[NH+]1CCOCC1 ZINC000356555591 144013977 /nfs/dbraw/zinc/01/39/77/144013977.db2.gz WUGVKGNNWBAWLN-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)N[C@@H](C)C[NH+](C)C(C)C ZINC000356763793 144030699 /nfs/dbraw/zinc/03/06/99/144030699.db2.gz JCWHWAFHEUFLRK-STQMWFEESA-N 2 2 271.405 0.552 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)N[C@@H](C)C[NH+](C)C(C)C ZINC000356763793 144030700 /nfs/dbraw/zinc/03/07/00/144030700.db2.gz JCWHWAFHEUFLRK-STQMWFEESA-N 2 2 271.405 0.552 20 0 CCADLP CC[NH+]1CCOC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000356763793 144030702 /nfs/dbraw/zinc/03/07/02/144030702.db2.gz JCWHWAFHEUFLRK-STQMWFEESA-N 2 2 271.405 0.552 20 0 CCADLP CC[NH+]1CCOC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000356763793 144030704 /nfs/dbraw/zinc/03/07/04/144030704.db2.gz JCWHWAFHEUFLRK-STQMWFEESA-N 2 2 271.405 0.552 20 0 CCADLP CCO[C@@H](C)c1noc(C[N@H+](C)CCOCC[NH3+])n1 ZINC000357080693 144058092 /nfs/dbraw/zinc/05/80/92/144058092.db2.gz UWIQDMDMPVZSOJ-JTQLQIEISA-N 2 2 272.349 0.574 20 0 CCADLP CCO[C@@H](C)c1noc(C[N@@H+](C)CCOCC[NH3+])n1 ZINC000357080693 144058094 /nfs/dbraw/zinc/05/80/94/144058094.db2.gz UWIQDMDMPVZSOJ-JTQLQIEISA-N 2 2 272.349 0.574 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000357118547 144062662 /nfs/dbraw/zinc/06/26/62/144062662.db2.gz LUWDMHLRVLIPQZ-NEPJUHHUSA-N 2 2 278.356 0.794 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000357118547 144062663 /nfs/dbraw/zinc/06/26/63/144062663.db2.gz LUWDMHLRVLIPQZ-NEPJUHHUSA-N 2 2 278.356 0.794 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000357185106 144067854 /nfs/dbraw/zinc/06/78/54/144067854.db2.gz ZEMKKSKNCOADMO-UHFFFAOYSA-N 2 2 279.388 0.951 20 0 CCADLP CCCCNC(=O)[C@@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357652308 144109191 /nfs/dbraw/zinc/10/91/91/144109191.db2.gz UJHKYHAEYDEEJT-CYBMUJFWSA-N 2 2 285.432 0.680 20 0 CCADLP CCCCNC(=O)[C@@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357652308 144109192 /nfs/dbraw/zinc/10/91/92/144109192.db2.gz UJHKYHAEYDEEJT-CYBMUJFWSA-N 2 2 285.432 0.680 20 0 CCADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000357938338 144135292 /nfs/dbraw/zinc/13/52/92/144135292.db2.gz XYKGEEPSNGAPQJ-OLZOCXBDSA-N 2 2 272.308 0.534 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](CCC(=O)N2CCc3ccccc32)CCO1 ZINC000358128234 144155220 /nfs/dbraw/zinc/15/52/20/144155220.db2.gz PZSLFLVRUOAXFG-CQSZACIVSA-N 2 2 289.379 0.625 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)N2CCc3ccccc32)CCO1 ZINC000358128234 144155222 /nfs/dbraw/zinc/15/52/22/144155222.db2.gz PZSLFLVRUOAXFG-CQSZACIVSA-N 2 2 289.379 0.625 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H](c2c[nH+]cn2C)N(C)C)C[C@@H](C)[NH+]1C ZINC000358722925 144175855 /nfs/dbraw/zinc/17/58/55/144175855.db2.gz KYSZDFYDIOZFSO-YRGRVCCFSA-N 2 2 293.415 0.574 20 0 CCADLP CC[C@@H](C)[C@H](C[NH2+]CC(=O)N1CC[NH+](C)CC1)OC ZINC000381168790 397484038 /nfs/dbraw/zinc/48/40/38/397484038.db2.gz OXLYAEMLGANCBU-OLZOCXBDSA-N 2 2 271.405 0.411 20 0 CCADLP C[C@@H]1C[C@H]1NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369372682 144265771 /nfs/dbraw/zinc/26/57/71/144265771.db2.gz KYASAQKTVHUBTH-YRGRVCCFSA-N 2 2 280.416 0.863 20 0 CCADLP C[C@@H]1C[C@H]1NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369372682 144265772 /nfs/dbraw/zinc/26/57/72/144265772.db2.gz KYASAQKTVHUBTH-YRGRVCCFSA-N 2 2 280.416 0.863 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000369678929 144276621 /nfs/dbraw/zinc/27/66/21/144276621.db2.gz BZVSGVLNZQOIMD-AWEZNQCLSA-N 2 2 281.400 0.261 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000369678929 144276622 /nfs/dbraw/zinc/27/66/22/144276622.db2.gz BZVSGVLNZQOIMD-AWEZNQCLSA-N 2 2 281.400 0.261 20 0 CCADLP O=C(NCCCNc1cccc[nH+]1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000370407105 144301325 /nfs/dbraw/zinc/30/13/25/144301325.db2.gz OZZBHWFLCVSSCY-DOMZBBRYSA-N 2 2 274.368 0.999 20 0 CCADLP COC(=O)[C@H]1C[C@H](OC)C[N@H+]1CCCn1cc[nH+]c1C ZINC000372310286 144360391 /nfs/dbraw/zinc/36/03/91/144360391.db2.gz BVRYRQAILWQHCJ-QWHCGFSZSA-N 2 2 281.356 0.844 20 0 CCADLP COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1CCCn1cc[nH+]c1C ZINC000372310286 144360392 /nfs/dbraw/zinc/36/03/92/144360392.db2.gz BVRYRQAILWQHCJ-QWHCGFSZSA-N 2 2 281.356 0.844 20 0 CCADLP CC(C)(CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)[NH+]1CCOCC1 ZINC000372423143 144366822 /nfs/dbraw/zinc/36/68/22/144366822.db2.gz VVRJJNLOMZMVIZ-SWLSCSKDSA-N 2 2 281.400 0.213 20 0 CCADLP NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CCCn1cc[nH+]c1 ZINC000372753073 144380207 /nfs/dbraw/zinc/38/02/07/144380207.db2.gz UNRVXYWQLVSOBX-XQQFMLRXSA-N 2 2 262.357 0.859 20 0 CCADLP NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CCCn1cc[nH+]c1 ZINC000372753073 144380209 /nfs/dbraw/zinc/38/02/09/144380209.db2.gz UNRVXYWQLVSOBX-XQQFMLRXSA-N 2 2 262.357 0.859 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@](C)(F)C1 ZINC000521366685 397570632 /nfs/dbraw/zinc/57/06/32/397570632.db2.gz MRHOOIRJPKLVPN-QWHCGFSZSA-N 2 2 262.369 0.750 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@](C)(F)C1 ZINC000521366685 397570637 /nfs/dbraw/zinc/57/06/37/397570637.db2.gz MRHOOIRJPKLVPN-QWHCGFSZSA-N 2 2 262.369 0.750 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000521366685 397570642 /nfs/dbraw/zinc/57/06/42/397570642.db2.gz MRHOOIRJPKLVPN-QWHCGFSZSA-N 2 2 262.369 0.750 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@](C)(F)C1 ZINC000521366685 397570647 /nfs/dbraw/zinc/57/06/47/397570647.db2.gz MRHOOIRJPKLVPN-QWHCGFSZSA-N 2 2 262.369 0.750 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3ccc(F)c(F)c3)CCN2C1=O ZINC000566490098 397577866 /nfs/dbraw/zinc/57/78/66/397577866.db2.gz CNJYPECWHLBBNC-ZWNOBZJWSA-N 2 2 281.306 0.709 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3)CCN2C1=O ZINC000566490098 397577868 /nfs/dbraw/zinc/57/78/68/397577868.db2.gz CNJYPECWHLBBNC-ZWNOBZJWSA-N 2 2 281.306 0.709 20 0 CCADLP Cc1cccc(CC[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)n1 ZINC000649684772 397654709 /nfs/dbraw/zinc/65/47/09/397654709.db2.gz BEKBAANTVKHLIG-UHFFFAOYSA-N 2 2 290.411 0.638 20 0 CCADLP Cc1cccc(CC[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)n1 ZINC000649684772 397654714 /nfs/dbraw/zinc/65/47/14/397654714.db2.gz BEKBAANTVKHLIG-UHFFFAOYSA-N 2 2 290.411 0.638 20 0 CCADLP CC[C@H]1C[N@H+](CC(=O)Nc2cc(C)nn2C)CC[C@H]1[NH3+] ZINC000649416936 397609321 /nfs/dbraw/zinc/60/93/21/397609321.db2.gz QVUFXFIDKPKPTJ-NWDGAFQWSA-N 2 2 279.388 0.726 20 0 CCADLP CC[C@H]1C[N@@H+](CC(=O)Nc2cc(C)nn2C)CC[C@H]1[NH3+] ZINC000649416936 397609322 /nfs/dbraw/zinc/60/93/22/397609322.db2.gz QVUFXFIDKPKPTJ-NWDGAFQWSA-N 2 2 279.388 0.726 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(c3cc(-n4cc[nH+]c4)ncn3)C[C@@H]21 ZINC000649457027 397612954 /nfs/dbraw/zinc/61/29/54/397612954.db2.gz MHUZIAZOBWHPBG-NEPJUHHUSA-N 2 2 270.340 0.803 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(c3cc(-n4cc[nH+]c4)ncn3)C[C@@H]21 ZINC000649457027 397612956 /nfs/dbraw/zinc/61/29/56/397612956.db2.gz MHUZIAZOBWHPBG-NEPJUHHUSA-N 2 2 270.340 0.803 20 0 CCADLP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NCC[NH+]1CCOCC1)C2 ZINC000649480521 397618252 /nfs/dbraw/zinc/61/82/52/397618252.db2.gz JKOHGXHADZNWFQ-ZFWWWQNUSA-N 2 2 296.415 0.089 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CN1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000649542808 397631438 /nfs/dbraw/zinc/63/14/38/397631438.db2.gz QCNWEEKBYWUDLZ-HUUCEWRRSA-N 2 2 267.417 0.877 20 0 CCADLP C[N@H+]1CCC[C@@H]1CN1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000649542808 397631439 /nfs/dbraw/zinc/63/14/39/397631439.db2.gz QCNWEEKBYWUDLZ-HUUCEWRRSA-N 2 2 267.417 0.877 20 0 CCADLP C(CC1CC[NH2+]CC1)[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000650761495 397754217 /nfs/dbraw/zinc/75/42/17/397754217.db2.gz AKXBNLRRJFZTKR-GJZGRUSLSA-N 3 2 267.417 0.733 20 0 CCADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000548122088 286007946 /nfs/dbraw/zinc/00/79/46/286007946.db2.gz OILNNWPOGSSMEI-OLZOCXBDSA-N 2 2 285.432 0.990 20 0 CCADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000548122088 286007947 /nfs/dbraw/zinc/00/79/47/286007947.db2.gz OILNNWPOGSSMEI-OLZOCXBDSA-N 2 2 285.432 0.990 20 0 CCADLP CO[C@H]1CC[N@H+](CCN2CCCC2=O)[C@@H](C[NH3+])C1 ZINC000359041467 286058522 /nfs/dbraw/zinc/05/85/22/286058522.db2.gz IZVKQDUTHYMIMN-NEPJUHHUSA-N 2 2 255.362 0.047 20 0 CCADLP CO[C@H]1CC[N@@H+](CCN2CCCC2=O)[C@@H](C[NH3+])C1 ZINC000359041467 286058524 /nfs/dbraw/zinc/05/85/24/286058524.db2.gz IZVKQDUTHYMIMN-NEPJUHHUSA-N 2 2 255.362 0.047 20 0 CCADLP CCOCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420357586 286067560 /nfs/dbraw/zinc/06/75/60/286067560.db2.gz DNIJAAZVKGUNDE-ZBFHGGJFSA-N 2 2 297.443 0.993 20 0 CCADLP CCOCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420357586 286067561 /nfs/dbraw/zinc/06/75/61/286067561.db2.gz DNIJAAZVKGUNDE-ZBFHGGJFSA-N 2 2 297.443 0.993 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C)[NH+]1CCSCC1 ZINC000356834361 289284955 /nfs/dbraw/zinc/28/49/55/289284955.db2.gz AUNFKPKZMNDQRC-FRRDWIJNSA-N 2 2 285.457 0.975 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C)[NH+]1CCSCC1 ZINC000356834361 289284956 /nfs/dbraw/zinc/28/49/56/289284956.db2.gz AUNFKPKZMNDQRC-FRRDWIJNSA-N 2 2 285.457 0.975 20 0 CCADLP C[C@@H](CC[NH3+])NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000417027549 286807764 /nfs/dbraw/zinc/80/77/64/286807764.db2.gz ZXVAXVWSSSKIFD-JTQLQIEISA-N 2 2 265.361 0.684 20 0 CCADLP C[C@H](CCCC[NH3+])NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000417518156 298388647 /nfs/dbraw/zinc/38/86/47/298388647.db2.gz RXJZJSNVLGERQD-OLZOCXBDSA-N 2 2 286.420 0.524 20 0 CCADLP C[C@H](CCCC[NH3+])NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000417518156 298388650 /nfs/dbraw/zinc/38/86/50/298388650.db2.gz RXJZJSNVLGERQD-OLZOCXBDSA-N 2 2 286.420 0.524 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000049235199 411670277 /nfs/dbraw/zinc/67/02/77/411670277.db2.gz YRZAHBOGLJXMNV-OLZOCXBDSA-N 3 2 252.362 0.318 20 0 CCADLP NS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000061980103 411688567 /nfs/dbraw/zinc/68/85/67/411688567.db2.gz KRTHBUVFYMEEGZ-LBPRGKRZSA-N 2 2 295.408 0.660 20 0 CCADLP NS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000061980103 411688571 /nfs/dbraw/zinc/68/85/71/411688571.db2.gz KRTHBUVFYMEEGZ-LBPRGKRZSA-N 2 2 295.408 0.660 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CCO)C1 ZINC000311503057 411750012 /nfs/dbraw/zinc/75/00/12/411750012.db2.gz XIJQRAQFWPORMV-ZIAGYGMSSA-N 2 2 274.405 0.020 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CCO)C1 ZINC000311503057 411750015 /nfs/dbraw/zinc/75/00/15/411750015.db2.gz XIJQRAQFWPORMV-ZIAGYGMSSA-N 2 2 274.405 0.020 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](CCO)C1 ZINC000311503057 411750018 /nfs/dbraw/zinc/75/00/18/411750018.db2.gz XIJQRAQFWPORMV-ZIAGYGMSSA-N 2 2 274.405 0.020 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](CCO)C1 ZINC000311503057 411750021 /nfs/dbraw/zinc/75/00/21/411750021.db2.gz XIJQRAQFWPORMV-ZIAGYGMSSA-N 2 2 274.405 0.020 20 0 CCADLP CC[N@H+](C[C@H](O)C[NH+](C)CCOC)[C@@H]1CCCOC1 ZINC000402717049 411783689 /nfs/dbraw/zinc/78/36/89/411783689.db2.gz VIRQXWWBDADCQH-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)[C@@H]1CCCOC1 ZINC000402717049 411783694 /nfs/dbraw/zinc/78/36/94/411783694.db2.gz VIRQXWWBDADCQH-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP CC[NH+](C[C@H](O)C[N@H+](C)CCOC)[C@@H]1CCCOC1 ZINC000402717049 411783697 /nfs/dbraw/zinc/78/36/97/411783697.db2.gz VIRQXWWBDADCQH-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)[C@@H]1CCCOC1 ZINC000402717049 411783700 /nfs/dbraw/zinc/78/37/00/411783700.db2.gz VIRQXWWBDADCQH-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])no1 ZINC000404430205 411796137 /nfs/dbraw/zinc/79/61/37/411796137.db2.gz OFZXXPQHELQGOW-PWSUYJOCSA-N 2 2 280.372 0.793 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])no1 ZINC000404430205 411796145 /nfs/dbraw/zinc/79/61/45/411796145.db2.gz OFZXXPQHELQGOW-PWSUYJOCSA-N 2 2 280.372 0.793 20 0 CCADLP CCO[C@@H]1C[N@H+](CC(=O)NC2CCCCC2)C[C@H]1C[NH3+] ZINC000405204415 411800576 /nfs/dbraw/zinc/80/05/76/411800576.db2.gz HQOUFQVHXVNMAS-TZMCWYRMSA-N 2 2 283.416 0.731 20 0 CCADLP CCO[C@@H]1C[N@@H+](CC(=O)NC2CCCCC2)C[C@H]1C[NH3+] ZINC000405204415 411800578 /nfs/dbraw/zinc/80/05/78/411800578.db2.gz HQOUFQVHXVNMAS-TZMCWYRMSA-N 2 2 283.416 0.731 20 0 CCADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC1C[NH+](C(C)C)C1)CC2 ZINC000651773105 411932622 /nfs/dbraw/zinc/93/26/22/411932622.db2.gz WFNVHSHKZIXBKN-GFCCVEGCSA-N 2 2 276.384 0.963 20 0 CCADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3C[C@@H](C(N)=O)C3)n2c1 ZINC000651939855 411965433 /nfs/dbraw/zinc/96/54/33/411965433.db2.gz SLCGYOXZVFFGLU-PHIMTYICSA-N 2 2 258.325 0.996 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC[C@@]1(O)CCCOC1 ZINC000652045786 411980256 /nfs/dbraw/zinc/98/02/56/411980256.db2.gz FTNRYMWDLWHNPG-SNPRPXQTSA-N 2 2 268.401 0.990 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC[C@@]1(O)CCCOC1 ZINC000652045786 411980263 /nfs/dbraw/zinc/98/02/63/411980263.db2.gz FTNRYMWDLWHNPG-SNPRPXQTSA-N 2 2 268.401 0.990 20 0 CCADLP Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)[C@H](C)[NH+](C)C)C2 ZINC000652086263 411987025 /nfs/dbraw/zinc/98/70/25/411987025.db2.gz RRFWNPIRRSSWEJ-JQWIXIFHSA-N 2 2 294.399 0.107 20 0 CCADLP CCC(CC)[C@H](O)CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653089647 412214406 /nfs/dbraw/zinc/21/44/06/412214406.db2.gz ORQMEMMWWLNQEU-VXGBXAGGSA-N 2 2 259.394 0.179 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccccc1-n1cncn1 ZINC000653043355 412198826 /nfs/dbraw/zinc/19/88/26/412198826.db2.gz QFUMDISOZCMMOG-NSHDSACASA-N 2 2 288.355 0.485 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC[NH2+]CC1 ZINC000653044163 412198861 /nfs/dbraw/zinc/19/88/61/412198861.db2.gz UUONLIQWRXEHPI-UHFFFAOYSA-N 2 2 262.357 0.584 20 0 CCADLP [NH3+]C[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000653047041 412199678 /nfs/dbraw/zinc/19/96/78/412199678.db2.gz ANVXKQUNQCJGGM-LLVKDONJSA-N 2 2 262.357 0.569 20 0 CCADLP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653054246 412202759 /nfs/dbraw/zinc/20/27/59/412202759.db2.gz HZDWECQHSGENFM-BXUZGUMPSA-N 3 2 278.400 0.602 20 0 CCADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653055230 412204186 /nfs/dbraw/zinc/20/41/86/412204186.db2.gz YPSDRSKGQXCODC-RYUDHWBXSA-N 3 2 258.410 0.097 20 0 CCADLP CN(CCOc1ccccc1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653058238 412205876 /nfs/dbraw/zinc/20/58/76/412205876.db2.gz KNXNYDKUWQZBEH-AWEZNQCLSA-N 2 2 279.384 0.803 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCc1cccc(F)c1 ZINC000653061216 412206554 /nfs/dbraw/zinc/20/65/54/412206554.db2.gz GCXMTTMLWJJVAF-ZDUSSCGKSA-N 2 2 267.348 0.763 20 0 CCADLP CCNC(=O)c1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653067041 412206857 /nfs/dbraw/zinc/20/68/57/412206857.db2.gz NANNJUCMQZQJMG-ZDUSSCGKSA-N 2 2 292.383 0.654 20 0 CCADLP COCCN(CC(C)C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653071444 412208545 /nfs/dbraw/zinc/20/85/45/412208545.db2.gz HWKNGJAFFHSKNK-GFCCVEGCSA-N 2 2 259.394 0.396 20 0 CCADLP CCO[C@H]1CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653072160 412208818 /nfs/dbraw/zinc/20/88/18/412208818.db2.gz GMKDXJPROPNSKD-RYUDHWBXSA-N 2 2 257.378 0.293 20 0 CCADLP COc1ccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1F ZINC000653072325 412209111 /nfs/dbraw/zinc/20/91/11/412209111.db2.gz NRSZMSZQECUSFM-LBPRGKRZSA-N 2 2 283.347 0.730 20 0 CCADLP CN(C[C@@H]1CCCCO1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653077049 412210745 /nfs/dbraw/zinc/21/07/45/412210745.db2.gz MYZWPFIYUDEEPP-RYUDHWBXSA-N 2 2 257.378 0.293 20 0 CCADLP COCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CCCC1 ZINC000653082791 412212772 /nfs/dbraw/zinc/21/27/72/412212772.db2.gz DXSQNDKBZIFHOF-ZDUSSCGKSA-N 2 2 271.405 0.683 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CCS1 ZINC000653092949 412216016 /nfs/dbraw/zinc/21/60/16/412216016.db2.gz QQJZISOEKDAEOX-MNOVXSKESA-N 2 2 259.419 0.619 20 0 CCADLP CCO[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C12CCC2 ZINC000653096237 412217096 /nfs/dbraw/zinc/21/70/96/412217096.db2.gz GSRVFGGZLYJVRB-RWMBFGLXSA-N 2 2 283.416 0.729 20 0 CCADLP C[C@@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)Oc1cccc(F)c1 ZINC000653096181 412217361 /nfs/dbraw/zinc/21/73/61/412217361.db2.gz FVYNDBCIRBFQAD-SMDDNHRTSA-N 2 2 297.374 0.988 20 0 CCADLP CCc1noc(CC)c1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653103572 412219015 /nfs/dbraw/zinc/21/90/15/412219015.db2.gz MDQYYFMJWXLKQG-NSHDSACASA-N 2 2 282.388 0.695 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(c2ccccc2)CC1 ZINC000653104489 412219566 /nfs/dbraw/zinc/21/95/66/412219566.db2.gz ISMYNCSCXZFBAT-OAHLLOKOSA-N 2 2 290.411 0.614 20 0 CCADLP CN(C)c1ccccc1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653107874 412221482 /nfs/dbraw/zinc/22/14/82/412221482.db2.gz AJTCAKOPARYBEG-LLVKDONJSA-N 2 2 264.373 0.970 20 0 CCADLP CC(C)C[NH+]1CCC(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653107698 412221925 /nfs/dbraw/zinc/22/19/25/412221925.db2.gz UTCFJZCEOHGSFD-AWEZNQCLSA-N 3 2 284.448 0.502 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000653108937 412221952 /nfs/dbraw/zinc/22/19/52/412221952.db2.gz MUJGLBSSSRDKHW-HNNXBMFYSA-N 3 2 296.459 0.789 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000653116370 412225926 /nfs/dbraw/zinc/22/59/26/412225926.db2.gz DVXXNUUIWQELKW-ZDUSSCGKSA-N 3 2 288.355 0.485 20 0 CCADLP CCCC[N@H+](C)CCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653114823 412226477 /nfs/dbraw/zinc/22/64/77/412226477.db2.gz XVMLJUGUNVMOCP-GFCCVEGCSA-N 3 2 258.410 0.114 20 0 CCADLP CCCC[N@@H+](C)CCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653114823 412226480 /nfs/dbraw/zinc/22/64/80/412226480.db2.gz XVMLJUGUNVMOCP-GFCCVEGCSA-N 3 2 258.410 0.114 20 0 CCADLP C[NH2+]Cc1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653144825 412240361 /nfs/dbraw/zinc/24/03/61/412240361.db2.gz HGFAFTNYKAQVPZ-ZDUSSCGKSA-N 3 2 264.373 0.624 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000653147981 412242400 /nfs/dbraw/zinc/24/24/00/412242400.db2.gz IZXWQWKNOLXRPH-AWEZNQCLSA-N 3 2 284.448 0.598 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCC[C@@H]1CCCCO1 ZINC000653154631 412245778 /nfs/dbraw/zinc/24/57/78/412245778.db2.gz XELUVKKZJARWKT-STQMWFEESA-N 2 2 271.405 0.731 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccc(OC)nc1 ZINC000653587666 412321461 /nfs/dbraw/zinc/32/14/61/412321461.db2.gz NAUKDLYZINOSCF-CYBMUJFWSA-N 2 2 267.373 0.835 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccc(OC)nc1 ZINC000653587666 412321462 /nfs/dbraw/zinc/32/14/62/412321462.db2.gz NAUKDLYZINOSCF-CYBMUJFWSA-N 2 2 267.373 0.835 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccc(OC)nc1 ZINC000653587666 412321464 /nfs/dbraw/zinc/32/14/64/412321464.db2.gz NAUKDLYZINOSCF-CYBMUJFWSA-N 2 2 267.373 0.835 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccc(OC)nc1 ZINC000653587666 412321465 /nfs/dbraw/zinc/32/14/65/412321465.db2.gz NAUKDLYZINOSCF-CYBMUJFWSA-N 2 2 267.373 0.835 20 0 CCADLP CC(C)Oc1cc[nH+]c(CN2C[C@H](O)[C@@H]([NH+](C)C)C2)c1 ZINC000653685263 412335930 /nfs/dbraw/zinc/33/59/30/412335930.db2.gz WYWZRFWNXWOZJQ-GJZGRUSLSA-N 2 2 279.384 0.976 20 0 CCADLP Cc1nc2ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cn2n1 ZINC000653347611 412292623 /nfs/dbraw/zinc/29/26/23/412292623.db2.gz HOCOUZBTMJMWKJ-NSHDSACASA-N 2 2 276.344 0.255 20 0 CCADLP COC1CC[NH+](CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000654869278 412446457 /nfs/dbraw/zinc/44/64/57/412446457.db2.gz HEKSQOUSOCDNKY-GFCCVEGCSA-N 2 2 294.399 0.815 20 0 CCADLP COC1CC[NH+](CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000654869278 412446459 /nfs/dbraw/zinc/44/64/59/412446459.db2.gz HEKSQOUSOCDNKY-GFCCVEGCSA-N 2 2 294.399 0.815 20 0 CCADLP C[N@@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CC(C)(C)C3)[C@@H]2C1 ZINC000654989115 412458615 /nfs/dbraw/zinc/45/86/15/412458615.db2.gz KTMVYJFUMMNOIK-QWHCGFSZSA-N 2 2 265.401 0.881 20 0 CCADLP C[N@H+]1CC[C@H]2CCN(C(=O)C[NH+]3CC(C)(C)C3)[C@@H]2C1 ZINC000654989115 412458617 /nfs/dbraw/zinc/45/86/17/412458617.db2.gz KTMVYJFUMMNOIK-QWHCGFSZSA-N 2 2 265.401 0.881 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000659429770 413494100 /nfs/dbraw/zinc/49/41/00/413494100.db2.gz DEKGQLAOOLVLFK-NSHDSACASA-N 2 2 275.356 0.784 20 0 CCADLP O=C(NCc1ccn2cc[nH+]c2c1)NCC12CC(C1)C[NH2+]2 ZINC000659469149 413525220 /nfs/dbraw/zinc/52/52/20/413525220.db2.gz HHXIMFKOYROXDI-UHFFFAOYSA-N 2 2 285.351 0.886 20 0 CCADLP CN(CC(C)(C)[NH3+])C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000659494235 413546637 /nfs/dbraw/zinc/54/66/37/413546637.db2.gz OENRXJQZMDMWCI-VIFPVBQESA-N 2 2 265.361 0.646 20 0 CCADLP CN(CC(C)(C)[NH3+])C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000659494235 413546643 /nfs/dbraw/zinc/54/66/43/413546643.db2.gz OENRXJQZMDMWCI-VIFPVBQESA-N 2 2 265.361 0.646 20 0 CCADLP C[C@@H](NC(=O)NCC[NH2+]C1CC1)c1[nH+]ccn1C ZINC000659509854 413571901 /nfs/dbraw/zinc/57/19/01/413571901.db2.gz JYZPMUQKEVTHKA-SECBINFHSA-N 2 2 251.334 0.532 20 0 CCADLP O=C(NCc1ccc[nH+]c1N1CCCC1)N[C@H]1CC[NH2+]C1 ZINC000659516315 413580075 /nfs/dbraw/zinc/58/00/75/413580075.db2.gz POKQKZNFVILQOK-ZDUSSCGKSA-N 2 2 289.383 0.843 20 0 CCADLP C[C@H](NC(=O)NC[C@H]1C[NH2+]CCCO1)c1[nH+]ccn1C ZINC000659552190 413645186 /nfs/dbraw/zinc/64/51/86/413645186.db2.gz ZUDFKFJJUGQYKX-WDEREUQCSA-N 2 2 281.360 0.159 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000659638601 413742784 /nfs/dbraw/zinc/74/27/84/413742784.db2.gz TZPUIHYPUYSYPA-NSHDSACASA-N 2 2 253.350 0.523 20 0 CCADLP CO[C@@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C1CCCC1 ZINC000659611814 413700126 /nfs/dbraw/zinc/70/01/26/413700126.db2.gz OKSFFNPRVJLUNT-KGLIPLIRSA-N 2 2 298.431 0.476 20 0 CCADLP CO[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C1CCCC1 ZINC000659611814 413700130 /nfs/dbraw/zinc/70/01/30/413700130.db2.gz OKSFFNPRVJLUNT-KGLIPLIRSA-N 2 2 298.431 0.476 20 0 CCADLP O=C1C[C@@H](C[N@@H+]2CCC[C@@H]2C[NH+]2CCCC2)CN1 ZINC000659871214 413926462 /nfs/dbraw/zinc/92/64/62/413926462.db2.gz PEGLZWUOOAPURY-CHWSQXEVSA-N 2 2 251.374 0.683 20 0 CCADLP O=C1C[C@@H](C[N@H+]2CCC[C@@H]2C[NH+]2CCCC2)CN1 ZINC000659871214 413926470 /nfs/dbraw/zinc/92/64/70/413926470.db2.gz PEGLZWUOOAPURY-CHWSQXEVSA-N 2 2 251.374 0.683 20 0 CCADLP CN1CC(=O)N(CC[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000659881887 413939551 /nfs/dbraw/zinc/93/95/51/413939551.db2.gz BFHBLBBSQYCIIG-GFCCVEGCSA-N 2 2 291.355 0.414 20 0 CCADLP CN1CC(=O)N(CC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000659881887 413939555 /nfs/dbraw/zinc/93/95/55/413939555.db2.gz BFHBLBBSQYCIIG-GFCCVEGCSA-N 2 2 291.355 0.414 20 0 CCADLP COC[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)OC ZINC000659956962 414000344 /nfs/dbraw/zinc/00/03/44/414000344.db2.gz WWKBOWKRDLVWEN-UONOGXRCSA-N 2 2 272.389 0.302 20 0 CCADLP COC[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)OC ZINC000659956962 414000350 /nfs/dbraw/zinc/00/03/50/414000350.db2.gz WWKBOWKRDLVWEN-UONOGXRCSA-N 2 2 272.389 0.302 20 0 CCADLP Cc1cc[nH+]c(N2CC[NH+](C[C@H]3CNC(=O)C3)CC2)c1 ZINC000660014426 414058086 /nfs/dbraw/zinc/05/80/86/414058086.db2.gz LMIPRSOAHYWICN-CYBMUJFWSA-N 2 2 274.368 0.648 20 0 CCADLP CC1(C)C[C@@H]([NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)CO1 ZINC000660120851 414128030 /nfs/dbraw/zinc/12/80/30/414128030.db2.gz ONRDTADAPJEIAG-ZIAGYGMSSA-N 2 2 295.427 0.968 20 0 CCADLP CCN1OC[C@@H]([N@H+](C)CCCn2cc[nH+]c2C)C1=O ZINC000660116671 414119372 /nfs/dbraw/zinc/11/93/72/414119372.db2.gz JGQHTDJAXSVFOK-GFCCVEGCSA-N 2 2 266.345 0.676 20 0 CCADLP CCN1OC[C@@H]([N@@H+](C)CCCn2cc[nH+]c2C)C1=O ZINC000660116671 414119377 /nfs/dbraw/zinc/11/93/77/414119377.db2.gz JGQHTDJAXSVFOK-GFCCVEGCSA-N 2 2 266.345 0.676 20 0 CCADLP Cn1c[nH+]c(CN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000660120527 414123748 /nfs/dbraw/zinc/12/37/48/414123748.db2.gz LHDSYIKUVHEXOW-CQSZACIVSA-N 2 2 291.399 0.334 20 0 CCADLP CN(C)c1ccc(CNC(=O)N(C)CC2C[NH+](C)C2)c[nH+]1 ZINC000660326245 414247113 /nfs/dbraw/zinc/24/71/13/414247113.db2.gz NOCVCLWPWQTBEW-UHFFFAOYSA-N 2 2 291.399 0.851 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[N@H+](CCO)[C@@H](C)C2)C[C@@H](C)O1 ZINC000660332491 414250108 /nfs/dbraw/zinc/25/01/08/414250108.db2.gz PCXVTLRJKIKLQA-RRFJBIMHSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[N@@H+](CCO)[C@@H](C)C2)C[C@@H](C)O1 ZINC000660332491 414250117 /nfs/dbraw/zinc/25/01/17/414250117.db2.gz PCXVTLRJKIKLQA-RRFJBIMHSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@H]1C[NH+](CCN2CC[N@H+](CCO)C(C)(C)C2)C[C@H](C)O1 ZINC000660370888 414268351 /nfs/dbraw/zinc/26/83/51/414268351.db2.gz GQXXQTMMOJSWLX-GJZGRUSLSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@H]1C[NH+](CCN2CC[N@@H+](CCO)C(C)(C)C2)C[C@H](C)O1 ZINC000660370888 414268362 /nfs/dbraw/zinc/26/83/62/414268362.db2.gz GQXXQTMMOJSWLX-GJZGRUSLSA-N 2 2 299.459 0.484 20 0 CCADLP COCCO[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000660372675 414270191 /nfs/dbraw/zinc/27/01/91/414270191.db2.gz OCUOKIGOTJYCSE-UONOGXRCSA-N 2 2 274.405 0.425 20 0 CCADLP COCCO[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000660372675 414270201 /nfs/dbraw/zinc/27/02/01/414270201.db2.gz OCUOKIGOTJYCSE-UONOGXRCSA-N 2 2 274.405 0.425 20 0 CCADLP COCCO[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000660372675 414270214 /nfs/dbraw/zinc/27/02/14/414270214.db2.gz OCUOKIGOTJYCSE-UONOGXRCSA-N 2 2 274.405 0.425 20 0 CCADLP COCCO[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000660372675 414270221 /nfs/dbraw/zinc/27/02/21/414270221.db2.gz OCUOKIGOTJYCSE-UONOGXRCSA-N 2 2 274.405 0.425 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCc2cc[nH]c(=O)c2C1 ZINC000660410797 414297943 /nfs/dbraw/zinc/29/79/43/414297943.db2.gz IJSICVPPWCCLIS-ZDUSSCGKSA-N 2 2 279.384 0.846 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCc2cc[nH]c(=O)c2C1 ZINC000660410797 414297949 /nfs/dbraw/zinc/29/79/49/414297949.db2.gz IJSICVPPWCCLIS-ZDUSSCGKSA-N 2 2 279.384 0.846 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000660410797 414297951 /nfs/dbraw/zinc/29/79/51/414297951.db2.gz IJSICVPPWCCLIS-ZDUSSCGKSA-N 2 2 279.384 0.846 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000660410797 414297956 /nfs/dbraw/zinc/29/79/56/414297956.db2.gz IJSICVPPWCCLIS-ZDUSSCGKSA-N 2 2 279.384 0.846 20 0 CCADLP O=C1NCCC[C@H]1[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660477675 414347027 /nfs/dbraw/zinc/34/70/27/414347027.db2.gz HYZBSSDCOOCDSO-UONOGXRCSA-N 2 2 281.400 0.452 20 0 CCADLP O=C1NCCC[C@H]1[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660477675 414347034 /nfs/dbraw/zinc/34/70/34/414347034.db2.gz HYZBSSDCOOCDSO-UONOGXRCSA-N 2 2 281.400 0.452 20 0 CCADLP O=C1C[C@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)CN1 ZINC000660484176 414352871 /nfs/dbraw/zinc/35/28/71/414352871.db2.gz VFPDQDYXWFSAQW-KBPBESRZSA-N 2 2 281.400 0.167 20 0 CCADLP O=C1C[C@H](C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)CN1 ZINC000660484176 414352880 /nfs/dbraw/zinc/35/28/80/414352880.db2.gz VFPDQDYXWFSAQW-KBPBESRZSA-N 2 2 281.400 0.167 20 0 CCADLP COC[C@@H](C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)OC ZINC000660483733 414353417 /nfs/dbraw/zinc/35/34/17/414353417.db2.gz KQERFOILXSXIOL-HUUCEWRRSA-N 2 2 286.416 0.692 20 0 CCADLP COC[C@@H](C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)OC ZINC000660483733 414353422 /nfs/dbraw/zinc/35/34/22/414353422.db2.gz KQERFOILXSXIOL-HUUCEWRRSA-N 2 2 286.416 0.692 20 0 CCADLP Nc1n[nH]c(C2CC[NH+](CCCn3cc[nH+]c3)CC2)n1 ZINC000660567220 414394969 /nfs/dbraw/zinc/39/49/69/414394969.db2.gz MGYATUDIOQVYGA-UHFFFAOYSA-N 2 2 275.360 0.853 20 0 CCADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](C[C@@]2(O)CCCOC2)CC1 ZINC000660590651 414407295 /nfs/dbraw/zinc/40/72/95/414407295.db2.gz PQNYUUYNVBYKRH-HOCLYGCPSA-N 2 2 298.427 0.713 20 0 CCADLP C[C@H]1COCC[N@H+]1C1CC[NH+](C[C@@]2(O)CCCOC2)CC1 ZINC000660590651 414407300 /nfs/dbraw/zinc/40/73/00/414407300.db2.gz PQNYUUYNVBYKRH-HOCLYGCPSA-N 2 2 298.427 0.713 20 0 CCADLP COCCCNC(=O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660653147 414430148 /nfs/dbraw/zinc/43/01/48/414430148.db2.gz OZBHPVQTCHRUJW-HNNXBMFYSA-N 2 2 283.416 0.557 20 0 CCADLP COCCCNC(=O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660653147 414430156 /nfs/dbraw/zinc/43/01/56/414430156.db2.gz OZBHPVQTCHRUJW-HNNXBMFYSA-N 2 2 283.416 0.557 20 0 CCADLP COCCCNC(=O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660653147 414430162 /nfs/dbraw/zinc/43/01/62/414430162.db2.gz OZBHPVQTCHRUJW-HNNXBMFYSA-N 2 2 283.416 0.557 20 0 CCADLP COCCCNC(=O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660653147 414430165 /nfs/dbraw/zinc/43/01/65/414430165.db2.gz OZBHPVQTCHRUJW-HNNXBMFYSA-N 2 2 283.416 0.557 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)CN(C)Cc2c[nH+]c[nH]2)CC1 ZINC000661086256 414553620 /nfs/dbraw/zinc/55/36/20/414553620.db2.gz VXZDQZKDTSBERT-UHFFFAOYSA-N 2 2 293.415 0.831 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)CN(C)Cc2c[nH]c[nH+]2)CC1 ZINC000661086256 414553625 /nfs/dbraw/zinc/55/36/25/414553625.db2.gz VXZDQZKDTSBERT-UHFFFAOYSA-N 2 2 293.415 0.831 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000661234115 414582233 /nfs/dbraw/zinc/58/22/33/414582233.db2.gz FTNFTKHVKFNPRN-UHFFFAOYSA-N 2 2 281.360 0.273 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NCC[N@H+]1CCCOCC1 ZINC000661234115 414582236 /nfs/dbraw/zinc/58/22/36/414582236.db2.gz FTNFTKHVKFNPRN-UHFFFAOYSA-N 2 2 281.360 0.273 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000661234115 414582239 /nfs/dbraw/zinc/58/22/39/414582239.db2.gz FTNFTKHVKFNPRN-UHFFFAOYSA-N 2 2 281.360 0.273 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)NCC[N@H+]1CCCOCC1 ZINC000661234115 414582243 /nfs/dbraw/zinc/58/22/43/414582243.db2.gz FTNFTKHVKFNPRN-UHFFFAOYSA-N 2 2 281.360 0.273 20 0 CCADLP Cn1cc(C[C@@H]2CC[N@H+](C[C@@H]3C[NH2+]CCO3)C2)cn1 ZINC000662262739 414702621 /nfs/dbraw/zinc/70/26/21/414702621.db2.gz JEDJAENPWBBZBK-JSGCOSHPSA-N 2 2 264.373 0.273 20 0 CCADLP Cn1cc(C[C@@H]2CC[N@@H+](C[C@@H]3C[NH2+]CCO3)C2)cn1 ZINC000662262739 414702622 /nfs/dbraw/zinc/70/26/22/414702622.db2.gz JEDJAENPWBBZBK-JSGCOSHPSA-N 2 2 264.373 0.273 20 0 CCADLP [NH3+]CC[N@@H+](Cc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662267569 414703292 /nfs/dbraw/zinc/70/32/92/414703292.db2.gz WYGVCROEKHPCNN-OAHLLOKOSA-N 3 2 275.396 0.968 20 0 CCADLP [NH3+]CC[N@H+](Cc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662267569 414703293 /nfs/dbraw/zinc/70/32/93/414703293.db2.gz WYGVCROEKHPCNN-OAHLLOKOSA-N 3 2 275.396 0.968 20 0 CCADLP CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@@H]3C[NH2+]CCO3)[C@H]2C1 ZINC000662279823 414705065 /nfs/dbraw/zinc/70/50/65/414705065.db2.gz MANHASKZCCCCBY-RFGFWPKPSA-N 2 2 270.373 0.243 20 0 CCADLP CO[C@@H]1CC[C@@H]2OCC[N@@H+](C[C@@H]3C[NH2+]CCO3)[C@H]2C1 ZINC000662279823 414705066 /nfs/dbraw/zinc/70/50/66/414705066.db2.gz MANHASKZCCCCBY-RFGFWPKPSA-N 2 2 270.373 0.243 20 0 CCADLP FC(F)CN1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662279862 414705250 /nfs/dbraw/zinc/70/52/50/414705250.db2.gz MOQUMJBQCIKRAT-NSHDSACASA-N 2 2 263.332 0.248 20 0 CCADLP FC(F)CN1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662279862 414705251 /nfs/dbraw/zinc/70/52/51/414705251.db2.gz MOQUMJBQCIKRAT-NSHDSACASA-N 2 2 263.332 0.248 20 0 CCADLP Cn1c(C[NH2+]C2(CO)CC[NH2+]CC2)nc2ccccc21 ZINC000662286521 414706683 /nfs/dbraw/zinc/70/66/83/414706683.db2.gz JIKSVHNOWDUXHB-UHFFFAOYSA-N 2 2 274.368 0.777 20 0 CCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)Nc1ccc(Cl)cc1 ZINC000662286239 414706685 /nfs/dbraw/zinc/70/66/85/414706685.db2.gz OECPCOMJFITPBE-UHFFFAOYSA-N 2 2 297.786 0.983 20 0 CCADLP [NH3+]CC[N@H+](CCCc1c(F)cccc1F)C[C@@H](O)CO ZINC000662288031 414707032 /nfs/dbraw/zinc/70/70/32/414707032.db2.gz MUVAYVDTQBEXQK-LLVKDONJSA-N 2 2 288.338 0.511 20 0 CCADLP [NH3+]CC[N@@H+](CCCc1c(F)cccc1F)C[C@@H](O)CO ZINC000662288031 414707033 /nfs/dbraw/zinc/70/70/33/414707033.db2.gz MUVAYVDTQBEXQK-LLVKDONJSA-N 2 2 288.338 0.511 20 0 CCADLP Cc1ccccc1OCCC[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000662288848 414707042 /nfs/dbraw/zinc/70/70/42/414707042.db2.gz LWMRHKDNTPLLGB-CQSZACIVSA-N 2 2 282.384 0.378 20 0 CCADLP Cc1ccccc1OCCC[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000662288848 414707043 /nfs/dbraw/zinc/70/70/43/414707043.db2.gz LWMRHKDNTPLLGB-CQSZACIVSA-N 2 2 282.384 0.378 20 0 CCADLP CCc1ccc(CC[N@H+](CC[NH3+])C[C@H](O)CO)cc1 ZINC000662288773 414707144 /nfs/dbraw/zinc/70/71/44/414707144.db2.gz JXVWAABSTFBBQV-HNNXBMFYSA-N 2 2 266.385 0.405 20 0 CCADLP CCc1ccc(CC[N@@H+](CC[NH3+])C[C@H](O)CO)cc1 ZINC000662288773 414707145 /nfs/dbraw/zinc/70/71/45/414707145.db2.gz JXVWAABSTFBBQV-HNNXBMFYSA-N 2 2 266.385 0.405 20 0 CCADLP [NH3+]CC[N@@H+](Cc1ccc2c(c1)CCC2)C[C@H](O)CO ZINC000662287995 414707208 /nfs/dbraw/zinc/70/72/08/414707208.db2.gz LNFDVMIJKZXGBD-HNNXBMFYSA-N 2 2 264.369 0.289 20 0 CCADLP [NH3+]CC[N@H+](Cc1ccc2c(c1)CCC2)C[C@H](O)CO ZINC000662287995 414707209 /nfs/dbraw/zinc/70/72/09/414707209.db2.gz LNFDVMIJKZXGBD-HNNXBMFYSA-N 2 2 264.369 0.289 20 0 CCADLP COc1cccc(CCC[N@H+](CC[NH3+])C[C@@H](O)CO)c1 ZINC000662289435 414707276 /nfs/dbraw/zinc/70/72/76/414707276.db2.gz RBNLDXCBTBYDRA-CQSZACIVSA-N 2 2 282.384 0.242 20 0 CCADLP COc1cccc(CCC[N@@H+](CC[NH3+])C[C@@H](O)CO)c1 ZINC000662289435 414707277 /nfs/dbraw/zinc/70/72/77/414707277.db2.gz RBNLDXCBTBYDRA-CQSZACIVSA-N 2 2 282.384 0.242 20 0 CCADLP [NH3+]Cc1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)no1 ZINC000662291781 414707639 /nfs/dbraw/zinc/70/76/39/414707639.db2.gz KGWMWMVDGJJRKI-GFCCVEGCSA-N 3 2 279.388 0.740 20 0 CCADLP CC(C)NC(=O)[C@@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662316618 414708818 /nfs/dbraw/zinc/70/88/18/414708818.db2.gz KMSHXHYLYIYSMN-CHWSQXEVSA-N 2 2 269.389 0.211 20 0 CCADLP CC(C)NC(=O)[C@@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662316618 414708819 /nfs/dbraw/zinc/70/88/19/414708819.db2.gz KMSHXHYLYIYSMN-CHWSQXEVSA-N 2 2 269.389 0.211 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(c2ccon2)CC1 ZINC000662048659 414689010 /nfs/dbraw/zinc/68/90/10/414689010.db2.gz IFEKUAFWNGVIDO-AWEZNQCLSA-N 2 2 297.399 0.793 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2ccon2)CC1 ZINC000662048659 414689011 /nfs/dbraw/zinc/68/90/11/414689011.db2.gz IFEKUAFWNGVIDO-AWEZNQCLSA-N 2 2 297.399 0.793 20 0 CCADLP Cn1c[nH+]cc1CCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662149041 414693771 /nfs/dbraw/zinc/69/37/71/414693771.db2.gz MUPYCZQMTYERBL-MRXNPFEDSA-N 3 2 292.427 0.884 20 0 CCADLP Cn1c[nH+]cc1CCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662149041 414693772 /nfs/dbraw/zinc/69/37/72/414693772.db2.gz MUPYCZQMTYERBL-MRXNPFEDSA-N 3 2 292.427 0.884 20 0 CCADLP Cn1c[nH+]cc1CCCN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662149041 414693773 /nfs/dbraw/zinc/69/37/73/414693773.db2.gz MUPYCZQMTYERBL-MRXNPFEDSA-N 2 2 292.427 0.884 20 0 CCADLP Cn1c[nH+]cc1CCCN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662149041 414693774 /nfs/dbraw/zinc/69/37/74/414693774.db2.gz MUPYCZQMTYERBL-MRXNPFEDSA-N 2 2 292.427 0.884 20 0 CCADLP CC(C)OCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662152120 414693903 /nfs/dbraw/zinc/69/39/03/414693903.db2.gz OUZATJLUULYTCG-AWEZNQCLSA-N 2 2 256.390 0.942 20 0 CCADLP CC(C)OCC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662152120 414693904 /nfs/dbraw/zinc/69/39/04/414693904.db2.gz OUZATJLUULYTCG-AWEZNQCLSA-N 2 2 256.390 0.942 20 0 CCADLP O[C@@H]1CC[N@@H+](C2CC[NH+](CCOCC3CC3)CC2)C1 ZINC000662156617 414694229 /nfs/dbraw/zinc/69/42/29/414694229.db2.gz NAZXWOCTAUQYFJ-OAHLLOKOSA-N 2 2 268.401 0.944 20 0 CCADLP O[C@@H]1CC[N@H+](C2CC[NH+](CCOCC3CC3)CC2)C1 ZINC000662156617 414694230 /nfs/dbraw/zinc/69/42/30/414694230.db2.gz NAZXWOCTAUQYFJ-OAHLLOKOSA-N 2 2 268.401 0.944 20 0 CCADLP C[C@H](C(=O)NC(C)(C)C)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662160187 414694836 /nfs/dbraw/zinc/69/48/36/414694836.db2.gz MWOMXJMXKPKXPL-OCCSQVGLSA-N 2 2 297.443 0.821 20 0 CCADLP C[C@H](C(=O)NC(C)(C)C)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662160187 414694837 /nfs/dbraw/zinc/69/48/37/414694837.db2.gz MWOMXJMXKPKXPL-OCCSQVGLSA-N 2 2 297.443 0.821 20 0 CCADLP CCCC(=O)NC1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662252878 414699878 /nfs/dbraw/zinc/69/98/78/414699878.db2.gz QXBMAUJDHIGMQB-CYBMUJFWSA-N 2 2 269.389 0.356 20 0 CCADLP CCO[C@@H]1C[C@H](O)C12CC[NH+](C[C@@H]1C[NH2+]CCO1)CC2 ZINC000662255293 414700567 /nfs/dbraw/zinc/70/05/67/414700567.db2.gz CUJNKRFOSPAASW-MELADBBJSA-N 2 2 284.400 0.227 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000662761351 414770586 /nfs/dbraw/zinc/77/05/86/414770586.db2.gz OQKXFLKKBZJLTR-YNEHKIRRSA-N 2 2 283.416 0.681 20 0 CCADLP Cc1ccoc1CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000662429679 414717417 /nfs/dbraw/zinc/71/74/17/414717417.db2.gz QXUCCXKLCGDDND-NSHDSACASA-N 2 2 251.330 0.232 20 0 CCADLP Cc1ccoc1CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000662429679 414717418 /nfs/dbraw/zinc/71/74/18/414717418.db2.gz QXUCCXKLCGDDND-NSHDSACASA-N 2 2 251.330 0.232 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)N3CCN(C)C[C@@H]3C[NH3+])ccn12 ZINC000662428196 414717653 /nfs/dbraw/zinc/71/76/53/414717653.db2.gz HRNROJIPALTQGV-ZDUSSCGKSA-N 2 2 287.367 0.358 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000662586149 414730612 /nfs/dbraw/zinc/73/06/12/414730612.db2.gz PCBORLWCIIRFPQ-CYBMUJFWSA-N 2 2 288.355 0.803 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000662586149 414730613 /nfs/dbraw/zinc/73/06/13/414730613.db2.gz PCBORLWCIIRFPQ-CYBMUJFWSA-N 2 2 288.355 0.803 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000662586369 414730708 /nfs/dbraw/zinc/73/07/08/414730708.db2.gz SXXOPRTXUBZHOZ-NSHDSACASA-N 2 2 252.318 0.137 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000662586369 414730709 /nfs/dbraw/zinc/73/07/09/414730709.db2.gz SXXOPRTXUBZHOZ-NSHDSACASA-N 2 2 252.318 0.137 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CC1([NH3+])CCC1 ZINC000662633399 414735178 /nfs/dbraw/zinc/73/51/78/414735178.db2.gz KSVZRBBEXWEENA-UHFFFAOYSA-N 3 2 270.421 0.258 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CC1([NH3+])CCC1 ZINC000662633399 414735179 /nfs/dbraw/zinc/73/51/79/414735179.db2.gz KSVZRBBEXWEENA-UHFFFAOYSA-N 3 2 270.421 0.258 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000662632734 414735190 /nfs/dbraw/zinc/73/51/90/414735190.db2.gz GNUURQDYYJTQDY-AWEZNQCLSA-N 3 2 284.448 0.376 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000662632734 414735191 /nfs/dbraw/zinc/73/51/91/414735191.db2.gz GNUURQDYYJTQDY-AWEZNQCLSA-N 3 2 284.448 0.376 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)CC(F)(F)C[NH3+])[C@H](C)CO1 ZINC000662633351 414735214 /nfs/dbraw/zinc/73/52/14/414735214.db2.gz KEDDFRJZKDZUHZ-NXEZZACHSA-N 2 2 279.331 0.196 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)CC(F)(F)C[NH3+])[C@H](C)CO1 ZINC000662633351 414735215 /nfs/dbraw/zinc/73/52/15/414735215.db2.gz KEDDFRJZKDZUHZ-NXEZZACHSA-N 2 2 279.331 0.196 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)[C@@H](C)CO1 ZINC000662633497 414735258 /nfs/dbraw/zinc/73/52/58/414735258.db2.gz LIXSSRDKBFGFCA-KNCOVGOOSA-N 2 2 295.427 0.602 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)[C@@H](C)CO1 ZINC000662633497 414735259 /nfs/dbraw/zinc/73/52/59/414735259.db2.gz LIXSSRDKBFGFCA-KNCOVGOOSA-N 2 2 295.427 0.602 20 0 CCADLP [NH3+][C@H](C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000662656285 414737705 /nfs/dbraw/zinc/73/77/05/414737705.db2.gz OYWJAGSDTGVZRP-GJZGRUSLSA-N 2 2 289.379 0.620 20 0 CCADLP CC(C)(CNC(=O)[C@H]1[NH2+]CCC1(C)C)[NH+]1CCOCC1 ZINC000662661622 414738404 /nfs/dbraw/zinc/73/84/04/414738404.db2.gz FZGMUICEYFEYLA-GFCCVEGCSA-N 2 2 283.416 0.602 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cnc2ccccn12 ZINC000662660432 414738521 /nfs/dbraw/zinc/73/85/21/414738521.db2.gz DHJJNRUISACYLI-SNVBAGLBSA-N 2 2 261.329 0.552 20 0 CCADLP CC1(C)CC[NH2+][C@@H]1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000662672832 414739455 /nfs/dbraw/zinc/73/94/55/414739455.db2.gz FGLIHTBYSGHAIV-GFCCVEGCSA-N 2 2 251.374 0.681 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662682507 414740570 /nfs/dbraw/zinc/74/05/70/414740570.db2.gz LENGIVDIUYXYHM-JTQLQIEISA-N 2 2 296.371 0.319 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662682682 414740636 /nfs/dbraw/zinc/74/06/36/414740636.db2.gz NXDXCGXEXDJIIB-LBPRGKRZSA-N 2 2 281.400 0.498 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662703815 414743556 /nfs/dbraw/zinc/74/35/56/414743556.db2.gz OCSJAUDTEPRNSY-DZGCQCFKSA-N 2 2 295.427 0.555 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662715463 414745623 /nfs/dbraw/zinc/74/56/23/414745623.db2.gz RRUXHZMGUCHMFS-GFCCVEGCSA-N 2 2 281.400 0.485 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662715463 414745624 /nfs/dbraw/zinc/74/56/24/414745624.db2.gz RRUXHZMGUCHMFS-GFCCVEGCSA-N 2 2 281.400 0.485 20 0 CCADLP CC(C)NC(=O)[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000662732968 414748357 /nfs/dbraw/zinc/74/83/57/414748357.db2.gz ABRWAOXXCCWNSM-OLZOCXBDSA-N 2 2 298.431 0.029 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@]2(C)CCC[NH2+]2)[C@@H](C)CO1 ZINC000662860205 414851982 /nfs/dbraw/zinc/85/19/82/414851982.db2.gz RHTSVERLEQMZAI-SCRDCRAPSA-N 2 2 269.389 0.354 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@]2(C)CCC[NH2+]2)[C@@H](C)CO1 ZINC000662860205 414851986 /nfs/dbraw/zinc/85/19/86/414851986.db2.gz RHTSVERLEQMZAI-SCRDCRAPSA-N 2 2 269.389 0.354 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662870733 414856644 /nfs/dbraw/zinc/85/66/44/414856644.db2.gz NBOUEDFPTQDTCR-AGIUHOORSA-N 2 2 269.389 0.293 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000662968702 414923095 /nfs/dbraw/zinc/92/30/95/414923095.db2.gz WENOYMBRZSQLAI-HQJQHLMTSA-N 2 2 257.284 0.689 20 0 CCADLP CC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899500 414881039 /nfs/dbraw/zinc/88/10/39/414881039.db2.gz DQIAHSNLAQGKNR-KBPBESRZSA-N 3 2 282.432 0.351 20 0 CCADLP CC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899500 414881042 /nfs/dbraw/zinc/88/10/42/414881042.db2.gz DQIAHSNLAQGKNR-KBPBESRZSA-N 3 2 282.432 0.351 20 0 CCADLP CC1(C)C[NH2+][C@H]1C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662910075 414884733 /nfs/dbraw/zinc/88/47/33/414884733.db2.gz KDARJYXPELFRJS-AWEZNQCLSA-N 2 2 295.427 0.555 20 0 CCADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC000663364759 415050747 /nfs/dbraw/zinc/05/07/47/415050747.db2.gz LNLTYPCXXMJCLU-KGLIPLIRSA-N 2 2 286.416 0.617 20 0 CCADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC000663364759 415050753 /nfs/dbraw/zinc/05/07/53/415050753.db2.gz LNLTYPCXXMJCLU-KGLIPLIRSA-N 2 2 286.416 0.617 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC1CC[NH+](C)CC1 ZINC000663446055 415067510 /nfs/dbraw/zinc/06/75/10/415067510.db2.gz NBCBAZCTRLJVOG-UHFFFAOYSA-N 3 2 299.463 0.263 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC1CC[NH+](C)CC1 ZINC000663446055 415067513 /nfs/dbraw/zinc/06/75/13/415067513.db2.gz NBCBAZCTRLJVOG-UHFFFAOYSA-N 3 2 299.463 0.263 20 0 CCADLP CC(C)CNC(=O)[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000663304592 415040172 /nfs/dbraw/zinc/04/01/72/415040172.db2.gz RVOALVGGSDUZRO-ZFWWWQNUSA-N 2 2 297.443 0.990 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044530023 175194839 /nfs/dbraw/zinc/19/48/39/175194839.db2.gz DNUNSRFEFZJBDC-LLVKDONJSA-N 2 2 270.377 0.139 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044530023 175194841 /nfs/dbraw/zinc/19/48/41/175194841.db2.gz DNUNSRFEFZJBDC-LLVKDONJSA-N 2 2 270.377 0.139 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC1(C)COC1 ZINC000664101150 415242357 /nfs/dbraw/zinc/24/23/57/415242357.db2.gz NKGQJNYIYIXEOJ-UHFFFAOYSA-N 2 2 286.420 0.206 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC1(C)COC1 ZINC000664101150 415242361 /nfs/dbraw/zinc/24/23/61/415242361.db2.gz NKGQJNYIYIXEOJ-UHFFFAOYSA-N 2 2 286.420 0.206 20 0 CCADLP Cn1nnc2c1ncnc2NCC[N@H+](C)CCC[NH+](C)C ZINC000664246407 415301329 /nfs/dbraw/zinc/30/13/29/415301329.db2.gz ZKDIAKMVTSCUSB-UHFFFAOYSA-N 2 2 292.391 0.054 20 0 CCADLP Cn1nnc2c1ncnc2NCC[N@@H+](C)CCC[NH+](C)C ZINC000664246407 415301333 /nfs/dbraw/zinc/30/13/33/415301333.db2.gz ZKDIAKMVTSCUSB-UHFFFAOYSA-N 2 2 292.391 0.054 20 0 CCADLP C[C@H](F)CCNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664969744 415499775 /nfs/dbraw/zinc/49/97/75/415499775.db2.gz USWILEZXYIQDOY-LBPRGKRZSA-N 2 2 276.400 0.917 20 0 CCADLP C[C@H](F)CCNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664969744 415499788 /nfs/dbraw/zinc/49/97/88/415499788.db2.gz USWILEZXYIQDOY-LBPRGKRZSA-N 2 2 276.400 0.917 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCCC(C)(C)O ZINC000664709309 415454261 /nfs/dbraw/zinc/45/42/61/415454261.db2.gz UISPRAMSXJJOPA-UHFFFAOYSA-N 2 2 288.436 0.330 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCCC(C)(C)O ZINC000664709309 415454263 /nfs/dbraw/zinc/45/42/63/415454263.db2.gz UISPRAMSXJJOPA-UHFFFAOYSA-N 2 2 288.436 0.330 20 0 CCADLP C[C@H](NC(=O)NCCOCC[NH+](C)C)c1[nH+]ccn1C ZINC000664732049 415460587 /nfs/dbraw/zinc/46/05/87/415460587.db2.gz OXJVPZIRZZOMAS-NSHDSACASA-N 2 2 283.376 0.359 20 0 CCADLP CC[C@@H]1C[C@H]1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664812858 415476135 /nfs/dbraw/zinc/47/61/35/415476135.db2.gz UHHHRFSONRMENL-CHWSQXEVSA-N 2 2 270.421 0.968 20 0 CCADLP CC[C@@H]1C[C@H]1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664812858 415476144 /nfs/dbraw/zinc/47/61/44/415476144.db2.gz UHHHRFSONRMENL-CHWSQXEVSA-N 2 2 270.421 0.968 20 0 CCADLP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccccc1 ZINC000071150220 176045147 /nfs/dbraw/zinc/04/51/47/176045147.db2.gz KABYNHRKUNBBMG-UHFFFAOYSA-N 2 2 276.384 0.462 20 0 CCADLP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccccc1 ZINC000071150220 176045148 /nfs/dbraw/zinc/04/51/48/176045148.db2.gz KABYNHRKUNBBMG-UHFFFAOYSA-N 2 2 276.384 0.462 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000423751013 287320617 /nfs/dbraw/zinc/32/06/17/287320617.db2.gz UNCJVXIQRJTMGS-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP c1nc(NCCC[NH+]2CCCCC2)c2c([nH+]1)NCCO2 ZINC000665689220 416472967 /nfs/dbraw/zinc/47/29/67/416472967.db2.gz JOKHSGQZGIQDIX-UHFFFAOYSA-N 2 2 277.372 0.681 20 0 CCADLP c1nc2c(c(NCCC[NH+]3CCCCC3)[nH+]1)OCCN2 ZINC000665689220 416472970 /nfs/dbraw/zinc/47/29/70/416472970.db2.gz JOKHSGQZGIQDIX-UHFFFAOYSA-N 2 2 277.372 0.681 20 0 CCADLP CCC[NH+]1CCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000665688730 416473885 /nfs/dbraw/zinc/47/38/85/416473885.db2.gz OKZJANNGOVSJHX-UHFFFAOYSA-N 2 2 263.345 0.813 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccc(Cl)o2)CC1 ZINC000057621664 544444754 /nfs/dbraw/zinc/44/47/54/544444754.db2.gz METXYVLSZKZDDG-UHFFFAOYSA-N 2 2 271.748 0.797 20 0 CCADLP CC(C)OCC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000113439565 544564770 /nfs/dbraw/zinc/56/47/70/544564770.db2.gz QZNQOQLYLAXQQJ-UHFFFAOYSA-N 2 2 299.459 0.798 20 0 CCADLP CC(C)OCC[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000113439565 544564779 /nfs/dbraw/zinc/56/47/79/544564779.db2.gz QZNQOQLYLAXQQJ-UHFFFAOYSA-N 2 2 299.459 0.798 20 0 CCADLP O=C1C[C@H]([NH2+]CCCCn2cc[nH+]c2)CCCN1 ZINC000111826616 544563485 /nfs/dbraw/zinc/56/34/85/544563485.db2.gz UOLOGQOPFSFRLN-GFCCVEGCSA-N 2 2 250.346 0.922 20 0 CCADLP CCc1nc(N[C@H](CO)C[NH+]2CCOCC2)cc(C)[nH+]1 ZINC000631307272 419478665 /nfs/dbraw/zinc/47/86/65/419478665.db2.gz OGWCKXLRXAAQBK-LBPRGKRZSA-N 2 2 280.372 0.452 20 0 CCADLP CC[NH+]1CCN(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000152497595 544660543 /nfs/dbraw/zinc/66/05/43/544660543.db2.gz GHYDEUPQSTVIIF-STQMWFEESA-N 2 2 284.404 0.053 20 0 CCADLP CC[NH+]1CCN(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000152497595 544660548 /nfs/dbraw/zinc/66/05/48/544660548.db2.gz GHYDEUPQSTVIIF-STQMWFEESA-N 2 2 284.404 0.053 20 0 CCADLP COc1c(N)[nH+]cnc1NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000521272369 420392758 /nfs/dbraw/zinc/39/27/58/420392758.db2.gz ZVDNYZKKNLRHGX-AOOOYVTPSA-N 2 2 279.344 0.343 20 0 CCADLP COc1c(N)[nH+]cnc1NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000521272369 420392762 /nfs/dbraw/zinc/39/27/62/420392762.db2.gz ZVDNYZKKNLRHGX-AOOOYVTPSA-N 2 2 279.344 0.343 20 0 CCADLP C[C@@H](CNC(=O)c1ccc(C[NH3+])o1)C[NH+]1CCOCC1 ZINC000237618576 544896626 /nfs/dbraw/zinc/89/66/26/544896626.db2.gz RLTIVHGUGJILCQ-NSHDSACASA-N 2 2 281.356 0.436 20 0 CCADLP CCc1cc(N2CC[NH+](C[C@@H](C)O)CC2)nc(C)[nH+]1 ZINC000275804137 544953291 /nfs/dbraw/zinc/95/32/91/544953291.db2.gz KQUQPYFFHRXOKT-LLVKDONJSA-N 2 2 264.373 0.850 20 0 CCADLP C[C@@H]1C[N@H+](CCCNC(=O)CCc2c[nH+]c[nH]2)CCCO1 ZINC000281443615 544961461 /nfs/dbraw/zinc/96/14/61/544961461.db2.gz CAKNOZFORHCBBN-CYBMUJFWSA-N 2 2 294.399 0.959 20 0 CCADLP C[C@@H]1C[N@@H+](CCCNC(=O)CCc2c[nH+]c[nH]2)CCCO1 ZINC000281443615 544961463 /nfs/dbraw/zinc/96/14/63/544961463.db2.gz CAKNOZFORHCBBN-CYBMUJFWSA-N 2 2 294.399 0.959 20 0 CCADLP C[C@@H]1C[N@H+](CCCNC(=O)CCc2c[nH]c[nH+]2)CCCO1 ZINC000281443615 544961467 /nfs/dbraw/zinc/96/14/67/544961467.db2.gz CAKNOZFORHCBBN-CYBMUJFWSA-N 2 2 294.399 0.959 20 0 CCADLP C[C@@H]1C[N@@H+](CCCNC(=O)CCc2c[nH]c[nH+]2)CCCO1 ZINC000281443615 544961470 /nfs/dbraw/zinc/96/14/70/544961470.db2.gz CAKNOZFORHCBBN-CYBMUJFWSA-N 2 2 294.399 0.959 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NCC[NH+]1CCCCC1 ZINC000290492603 544970120 /nfs/dbraw/zinc/97/01/20/544970120.db2.gz GZYFGFQKYWETPN-UHFFFAOYSA-N 2 2 265.361 0.705 20 0 CCADLP CC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C1CCC1 ZINC000324984907 545016574 /nfs/dbraw/zinc/01/65/74/545016574.db2.gz SPBYHODOGWPWTR-ZDUSSCGKSA-N 2 2 253.390 0.929 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000333709837 545041997 /nfs/dbraw/zinc/04/19/97/545041997.db2.gz FGZVPNZWXCQELF-CHWSQXEVSA-N 2 2 296.415 0.420 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000333729217 545042385 /nfs/dbraw/zinc/04/23/85/545042385.db2.gz HODSQHKDQLJBEJ-JHJVBQTASA-N 2 2 284.404 0.147 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000336844471 545051337 /nfs/dbraw/zinc/05/13/37/545051337.db2.gz ZPOPBXWZGFNOAB-LLVKDONJSA-N 2 2 294.321 0.848 20 0 CCADLP [NH3+]CCC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000237867366 269756051 /nfs/dbraw/zinc/75/60/51/269756051.db2.gz IXADARQFSLOKGN-UHFFFAOYSA-N 2 2 258.325 0.896 20 0 CCADLP O=C(N[C@@H]1CC[NH2+]C12CCC2)N[C@H]1CCn2cc[nH+]c2C1 ZINC000529318910 269865681 /nfs/dbraw/zinc/86/56/81/269865681.db2.gz CRCUAEUVKKSMBB-NWDGAFQWSA-N 2 2 289.383 0.782 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCC2(O)CCC2)C[C@H](C)O1 ZINC000521032250 262221385 /nfs/dbraw/zinc/22/13/85/262221385.db2.gz AFPQYYWCPRSYGD-MJBXVCDLSA-N 2 2 286.416 0.351 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCC2(O)CCC2)C[C@H](C)O1 ZINC000521032250 262221386 /nfs/dbraw/zinc/22/13/86/262221386.db2.gz AFPQYYWCPRSYGD-MJBXVCDLSA-N 2 2 286.416 0.351 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CCN(CC(F)(F)F)C1 ZINC000521423723 262326232 /nfs/dbraw/zinc/32/62/32/262326232.db2.gz KMKYPNYQGMRGQO-UTUOFQBUSA-N 2 2 295.349 0.980 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000340518876 263184098 /nfs/dbraw/zinc/18/40/98/263184098.db2.gz YKQVEYXIFNXJQA-TUVASFSCSA-N 2 2 279.428 0.779 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000340518876 263184100 /nfs/dbraw/zinc/18/41/00/263184100.db2.gz YKQVEYXIFNXJQA-TUVASFSCSA-N 2 2 279.428 0.779 20 0 CCADLP COCC[C@H](C)C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000519141585 265331546 /nfs/dbraw/zinc/33/15/46/265331546.db2.gz MPRHEVLWUURZAF-BYNSBNAKSA-N 2 2 288.432 0.719 20 0 CCADLP COCC[C@H](C)C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000519141585 265331547 /nfs/dbraw/zinc/33/15/47/265331547.db2.gz MPRHEVLWUURZAF-BYNSBNAKSA-N 2 2 288.432 0.719 20 0 CCADLP [NH3+][C@@H]1C[C@@H]1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000424132951 272908600 /nfs/dbraw/zinc/90/86/00/272908600.db2.gz LKTLJGQURWYNTI-UONOGXRCSA-N 2 2 270.336 0.895 20 0 CCADLP C(CN1CCCCC1)[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422806360 275391170 /nfs/dbraw/zinc/39/11/70/275391170.db2.gz IBVJXGKAHNFWPZ-GJZGRUSLSA-N 2 2 267.417 0.829 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000236684162 275670201 /nfs/dbraw/zinc/67/02/01/275670201.db2.gz BJBNQUSKHWEOPY-QWHCGFSZSA-N 2 2 269.389 0.211 20 0 CCADLP CCN1CC[N@H+](CCc2c[nH+]cn2C)[C@H](C)C1=O ZINC000459433997 276195563 /nfs/dbraw/zinc/19/55/63/276195563.db2.gz UAUORDLSDRHVEZ-LLVKDONJSA-N 2 2 250.346 0.515 20 0 CCADLP CCN1CC[N@@H+](CCc2c[nH+]cn2C)[C@H](C)C1=O ZINC000459433997 276195564 /nfs/dbraw/zinc/19/55/64/276195564.db2.gz UAUORDLSDRHVEZ-LLVKDONJSA-N 2 2 250.346 0.515 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000358386004 276252747 /nfs/dbraw/zinc/25/27/47/276252747.db2.gz SBCBFKAIYAOEHH-GMXVVIOVSA-N 2 2 251.374 0.680 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000358386004 276252748 /nfs/dbraw/zinc/25/27/48/276252748.db2.gz SBCBFKAIYAOEHH-GMXVVIOVSA-N 2 2 251.374 0.680 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@H](C)OC)CC1 ZINC000353209478 276380964 /nfs/dbraw/zinc/38/09/64/276380964.db2.gz YTUSEKOSUXUEBO-QWHCGFSZSA-N 2 2 271.405 0.506 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@H](C)OC)CC1 ZINC000353209478 276380966 /nfs/dbraw/zinc/38/09/66/276380966.db2.gz YTUSEKOSUXUEBO-QWHCGFSZSA-N 2 2 271.405 0.506 20 0 CCADLP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263267194 276868566 /nfs/dbraw/zinc/86/85/66/276868566.db2.gz RSUIMFFKUGYURG-UWVGGRQHSA-N 2 2 261.316 0.536 20 0 CCADLP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000348152053 277008877 /nfs/dbraw/zinc/00/88/77/277008877.db2.gz ONXWFVOIFQVKNO-CHWSQXEVSA-N 2 2 253.390 0.977 20 0 CCADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCOCC3)CC[C@@H]21 ZINC000158522348 277068364 /nfs/dbraw/zinc/06/83/64/277068364.db2.gz ZSVGIBCSKYBXNT-KGLIPLIRSA-N 2 2 281.400 0.261 20 0 CCADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCOCC3)CC[C@@H]21 ZINC000158522348 277068365 /nfs/dbraw/zinc/06/83/65/277068365.db2.gz ZSVGIBCSKYBXNT-KGLIPLIRSA-N 2 2 281.400 0.261 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N3CCOCC3)CC[C@@H]21 ZINC000158522348 277068366 /nfs/dbraw/zinc/06/83/66/277068366.db2.gz ZSVGIBCSKYBXNT-KGLIPLIRSA-N 2 2 281.400 0.261 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCOCC3)CC[C@@H]21 ZINC000158522348 277068367 /nfs/dbraw/zinc/06/83/67/277068367.db2.gz ZSVGIBCSKYBXNT-KGLIPLIRSA-N 2 2 281.400 0.261 20 0 CCADLP COC[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)[C@@H]1CCCO1 ZINC000419738084 277262759 /nfs/dbraw/zinc/26/27/59/277262759.db2.gz YVTPFIKFEKDSTI-STQMWFEESA-N 2 2 282.388 0.770 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)C[C@H]1[NH+]1CCOCC1 ZINC000343500510 287967266 /nfs/dbraw/zinc/96/72/66/287967266.db2.gz FBZBKJQZBRIKMN-KBUPBQIOSA-N 2 2 295.427 0.554 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000433169960 277887357 /nfs/dbraw/zinc/88/73/57/277887357.db2.gz UEDJNZFSRANFIL-KGLIPLIRSA-N 2 2 283.416 0.541 20 0 CCADLP CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423246391 278115782 /nfs/dbraw/zinc/11/57/82/278115782.db2.gz ZKCYTELPBZVHII-QJPTWQEYSA-N 2 2 260.403 0.684 20 0 CCADLP C[C@H](CS(C)(=O)=O)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423260592 278215226 /nfs/dbraw/zinc/21/52/26/278215226.db2.gz HPVMXDOCUVSWFP-PWSUYJOCSA-N 2 2 262.419 0.917 20 0 CCADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)C(C)(C)n1cncn1 ZINC000453271838 278350582 /nfs/dbraw/zinc/35/05/82/278350582.db2.gz UIYIDHHTBYUGPQ-KGLIPLIRSA-N 2 2 295.431 0.838 20 0 CCADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)C(C)(C)n1cncn1 ZINC000453271838 278350585 /nfs/dbraw/zinc/35/05/85/278350585.db2.gz UIYIDHHTBYUGPQ-KGLIPLIRSA-N 2 2 295.431 0.838 20 0 CCADLP CC(C)(C)NC(=O)CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422958751 278356597 /nfs/dbraw/zinc/35/65/97/278356597.db2.gz PTPPPSGDUNYPHJ-JSGCOSHPSA-N 2 2 283.416 0.648 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000331636580 278363781 /nfs/dbraw/zinc/36/37/81/278363781.db2.gz MFJXQNACNXTPKG-OAHLLOKOSA-N 2 2 296.415 0.686 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000331636580 278363782 /nfs/dbraw/zinc/36/37/82/278363782.db2.gz MFJXQNACNXTPKG-OAHLLOKOSA-N 2 2 296.415 0.686 20 0 CCADLP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000414734510 278369411 /nfs/dbraw/zinc/36/94/11/278369411.db2.gz FUVQNBYXDXDXSZ-AWEZNQCLSA-N 2 2 253.390 0.977 20 0 CCADLP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000414734510 278369412 /nfs/dbraw/zinc/36/94/12/278369412.db2.gz FUVQNBYXDXDXSZ-AWEZNQCLSA-N 2 2 253.390 0.977 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000356277804 288092219 /nfs/dbraw/zinc/09/22/19/288092219.db2.gz JXPKOASXMZNDMW-YIYPIFLZSA-N 2 2 254.374 0.864 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000356277804 288092220 /nfs/dbraw/zinc/09/22/20/288092220.db2.gz JXPKOASXMZNDMW-YIYPIFLZSA-N 2 2 254.374 0.864 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000514612531 279037607 /nfs/dbraw/zinc/03/76/07/279037607.db2.gz POHFMQKQWZJNRF-LJISPDSOSA-N 2 2 286.416 0.567 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000514612531 279037609 /nfs/dbraw/zinc/03/76/09/279037609.db2.gz POHFMQKQWZJNRF-LJISPDSOSA-N 2 2 286.416 0.567 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000514612531 279037610 /nfs/dbraw/zinc/03/76/10/279037610.db2.gz POHFMQKQWZJNRF-LJISPDSOSA-N 2 2 286.416 0.567 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000514612531 279037612 /nfs/dbraw/zinc/03/76/12/279037612.db2.gz POHFMQKQWZJNRF-LJISPDSOSA-N 2 2 286.416 0.567 20 0 CCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000356832633 279081612 /nfs/dbraw/zinc/08/16/12/279081612.db2.gz ATDHKUWKNHSGAP-JHJVBQTASA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000356832633 279081613 /nfs/dbraw/zinc/08/16/13/279081613.db2.gz ATDHKUWKNHSGAP-JHJVBQTASA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3C)CCC[N@@H+]1C ZINC000344256552 279122044 /nfs/dbraw/zinc/12/20/44/279122044.db2.gz QGEPMJUANQZLAG-SYQHCUMBSA-N 2 2 296.415 0.194 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3C)CCC[N@H+]1C ZINC000344256552 279122045 /nfs/dbraw/zinc/12/20/45/279122045.db2.gz QGEPMJUANQZLAG-SYQHCUMBSA-N 2 2 296.415 0.194 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)CCC[NH+]1C ZINC000344256552 279122046 /nfs/dbraw/zinc/12/20/46/279122046.db2.gz QGEPMJUANQZLAG-SYQHCUMBSA-N 2 2 296.415 0.194 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)CCC[NH+]1C ZINC000344256552 279122047 /nfs/dbraw/zinc/12/20/47/279122047.db2.gz QGEPMJUANQZLAG-SYQHCUMBSA-N 2 2 296.415 0.194 20 0 CCADLP C[C@H](C(=O)NCC[NH3+])[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000237442911 279223754 /nfs/dbraw/zinc/22/37/54/279223754.db2.gz AJXSUEFMODAIKQ-GFCCVEGCSA-N 2 2 294.374 0.411 20 0 CCADLP Cn1cc(N2CCC[C@H]([N@@H+]3CCC[C@@H](C[NH3+])C3)C2=O)cn1 ZINC000430659374 279339738 /nfs/dbraw/zinc/33/97/38/279339738.db2.gz ZNHYTRUSPOGDCG-JSGCOSHPSA-N 2 2 291.399 0.586 20 0 CCADLP Cn1cc(N2CCC[C@H]([N@H+]3CCC[C@@H](C[NH3+])C3)C2=O)cn1 ZINC000430659374 279339741 /nfs/dbraw/zinc/33/97/41/279339741.db2.gz ZNHYTRUSPOGDCG-JSGCOSHPSA-N 2 2 291.399 0.586 20 0 CCADLP C[C@H](CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)[NH+](C)C ZINC000350897618 279344312 /nfs/dbraw/zinc/34/43/12/279344312.db2.gz RYHJEVQZIMCUOW-TZMCWYRMSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H](CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)[NH+](C)C ZINC000350897618 279344313 /nfs/dbraw/zinc/34/43/13/279344313.db2.gz RYHJEVQZIMCUOW-TZMCWYRMSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422876809 288123907 /nfs/dbraw/zinc/12/39/07/288123907.db2.gz QOXHNPQEAFOCNU-CAPXZKIUSA-N 2 2 279.428 0.826 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)C(=O)OC)C2)CC1 ZINC000245939602 279373005 /nfs/dbraw/zinc/37/30/05/279373005.db2.gz UOCKQCTWBLKXGT-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)C(=O)OC)C2)CC1 ZINC000245939602 279373006 /nfs/dbraw/zinc/37/30/06/279373006.db2.gz UOCKQCTWBLKXGT-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP O=C([C@@H]1CCC[NH2+]C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000165681086 280087358 /nfs/dbraw/zinc/08/73/58/280087358.db2.gz UDVLBAMHGAFUFD-KGLIPLIRSA-N 2 2 281.400 0.309 20 0 CCADLP CC[C@@H](Cn1cncn1)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000453268049 280162431 /nfs/dbraw/zinc/16/24/31/280162431.db2.gz PTBYDXFUSDPNRV-KBPBESRZSA-N 2 2 281.404 0.493 20 0 CCADLP CC[C@@H](Cn1cncn1)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000453268049 280162436 /nfs/dbraw/zinc/16/24/36/280162436.db2.gz PTBYDXFUSDPNRV-KBPBESRZSA-N 2 2 281.404 0.493 20 0 CCADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)CCn1cc[nH+]c1 ZINC000290798700 289045100 /nfs/dbraw/zinc/04/51/00/289045100.db2.gz DMILSUAMMRFJRQ-ZIAGYGMSSA-N 2 2 292.383 0.595 20 0 CCADLP CN(CC[NH+](C)C)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434457375 289128440 /nfs/dbraw/zinc/12/84/40/289128440.db2.gz WRJFVURPNSXZHD-UHFFFAOYSA-N 2 2 284.404 0.054 20 0 CCADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)CCc1[nH]cc[nH+]1 ZINC000354083817 289141280 /nfs/dbraw/zinc/14/12/80/289141280.db2.gz CYIXHCBCGLUFDL-CYBMUJFWSA-N 2 2 294.399 0.912 20 0 CCADLP CN(C)[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)c1c[nH+]cn1C ZINC000422039817 289343524 /nfs/dbraw/zinc/34/35/24/289343524.db2.gz RRCYWAHDKJJGEY-JSGCOSHPSA-N 2 2 293.415 0.575 20 0 CCADLP CN(C)[C@H](C(=O)N(C)C[C@@H]1CCC[N@H+]1C)c1c[nH+]cn1C ZINC000422039817 289343526 /nfs/dbraw/zinc/34/35/26/289343526.db2.gz RRCYWAHDKJJGEY-JSGCOSHPSA-N 2 2 293.415 0.575 20 0 CCADLP C[C@H](CNC(=O)[C@@H]([NH3+])C1CCOCC1)Cn1cc[nH+]c1 ZINC000337819773 289675489 /nfs/dbraw/zinc/67/54/89/289675489.db2.gz OKNGOPXIDOMVST-YPMHNXCESA-N 2 2 280.372 0.389 20 0 CCADLP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000423394549 289972178 /nfs/dbraw/zinc/97/21/78/289972178.db2.gz QHOMDQGYBCCPEB-TUAOUCFPSA-N 3 2 294.365 0.553 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H]1CCCCC[NH2+]1)[NH+]1CCOCC1 ZINC000364466644 290205991 /nfs/dbraw/zinc/20/59/91/290205991.db2.gz MAFAQUKEBFUEBX-MJBXVCDLSA-N 2 2 283.416 0.744 20 0 CCADLP C[N@@H+]1CC[C@H](NCC[NH+]2CCC(O)CC2)[C@@H]2CCC[C@@H]21 ZINC000453347175 290218276 /nfs/dbraw/zinc/21/82/76/290218276.db2.gz FJKMGOUMTAODKS-JYJNAYRXSA-N 2 2 281.444 0.906 20 0 CCADLP C[N@H+]1CC[C@H](NCC[NH+]2CCC(O)CC2)[C@@H]2CCC[C@@H]21 ZINC000453347175 290218279 /nfs/dbraw/zinc/21/82/79/290218279.db2.gz FJKMGOUMTAODKS-JYJNAYRXSA-N 2 2 281.444 0.906 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]CCCS(C)(=O)=O)[C@@H]2CCC[C@@H]21 ZINC000353383535 290218457 /nfs/dbraw/zinc/21/84/57/290218457.db2.gz FWYMYJBMPGTIKZ-AVGNSLFASA-N 2 2 274.430 0.884 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]CCCS(C)(=O)=O)[C@@H]2CCC[C@@H]21 ZINC000353383535 290218461 /nfs/dbraw/zinc/21/84/61/290218461.db2.gz FWYMYJBMPGTIKZ-AVGNSLFASA-N 2 2 274.430 0.884 20 0 CCADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC000422944955 295333088 /nfs/dbraw/zinc/33/30/88/295333088.db2.gz MIWDHXOELAWPCG-IUCAKERBSA-N 2 2 267.295 0.915 20 0 CCADLP [NH3+][C@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000422690855 295334774 /nfs/dbraw/zinc/33/47/74/295334774.db2.gz HAXLFCOXFIMPIS-UONOGXRCSA-N 2 2 281.400 0.437 20 0 CCADLP [NH3+][C@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000422690855 295334776 /nfs/dbraw/zinc/33/47/76/295334776.db2.gz HAXLFCOXFIMPIS-UONOGXRCSA-N 2 2 281.400 0.437 20 0 CCADLP C[C@H](C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000429136059 298029733 /nfs/dbraw/zinc/02/97/33/298029733.db2.gz PLCIAKUQBNVYIM-JHJVBQTASA-N 2 2 269.389 0.293 20 0 CCADLP C[C@H](CCN1CCOCC1)[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422910016 298431913 /nfs/dbraw/zinc/43/19/13/298431913.db2.gz HFPMNCKZAZXYDU-VNQPRFMTSA-N 2 2 297.443 0.454 20 0 CCADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456212187 300065393 /nfs/dbraw/zinc/06/53/93/300065393.db2.gz GTISLZVRKYBMEV-ZQDZILKHSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456212187 300065394 /nfs/dbraw/zinc/06/53/94/300065394.db2.gz GTISLZVRKYBMEV-ZQDZILKHSA-N 2 2 295.427 0.839 20 0 CCADLP [NH3+]CC[N@H+](CCO)Cc1ccc(Cl)cc1-n1cncn1 ZINC000414917229 303381100 /nfs/dbraw/zinc/38/11/00/303381100.db2.gz VHLOCVUBZZIUJG-UHFFFAOYSA-N 2 2 295.774 0.674 20 0 CCADLP [NH3+]CC[N@@H+](CCO)Cc1ccc(Cl)cc1-n1cncn1 ZINC000414917229 303381104 /nfs/dbraw/zinc/38/11/04/303381104.db2.gz VHLOCVUBZZIUJG-UHFFFAOYSA-N 2 2 295.774 0.674 20 0 CCADLP [NH3+][C@H]1CCC[C@H](NC(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000333709844 303486822 /nfs/dbraw/zinc/48/68/22/303486822.db2.gz FGZVPNZWXCQELF-STQMWFEESA-N 2 2 296.415 0.420 20 0 CCADLP OC[C@@H]1CCC[C@H]([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000582175451 328608699 /nfs/dbraw/zinc/60/86/99/328608699.db2.gz NWROZLZGKFTRKN-UNQGMJICSA-N 2 2 268.401 0.894 20 0 CCADLP O=C(NCc1ccccc1-n1cc[nH+]c1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000584054422 326909406 /nfs/dbraw/zinc/90/94/06/326909406.db2.gz YAEGXVXPJFMZJK-QWHCGFSZSA-N 2 2 286.335 0.211 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000168669610 327287586 /nfs/dbraw/zinc/28/75/86/327287586.db2.gz DKTOIEJQUOMSJZ-WDEREUQCSA-N 2 2 282.388 0.424 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000168669610 327287587 /nfs/dbraw/zinc/28/75/87/327287587.db2.gz DKTOIEJQUOMSJZ-WDEREUQCSA-N 2 2 282.388 0.424 20 0 CCADLP C[C@@H](C(=O)NCCC[N@H+](C)CCN(C)C)[NH+]1CC(C)C1 ZINC000583450268 327373241 /nfs/dbraw/zinc/37/32/41/327373241.db2.gz KJJNRTKTHJJGLK-AWEZNQCLSA-N 2 2 284.448 0.326 20 0 CCADLP C[C@@H](C(=O)NCCC[N@@H+](C)CCN(C)C)[NH+]1CC(C)C1 ZINC000583450268 327373242 /nfs/dbraw/zinc/37/32/42/327373242.db2.gz KJJNRTKTHJJGLK-AWEZNQCLSA-N 2 2 284.448 0.326 20 0 CCADLP C[C@@H](C(=O)NCCCN(C)CC[NH+](C)C)[NH+]1CC(C)C1 ZINC000583450268 327373243 /nfs/dbraw/zinc/37/32/43/327373243.db2.gz KJJNRTKTHJJGLK-AWEZNQCLSA-N 2 2 284.448 0.326 20 0 CCADLP C[C@@]1(F)C[NH2+]CCN(c2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000582291695 328951388 /nfs/dbraw/zinc/95/13/88/328951388.db2.gz QJNDRRNVJXQKPQ-CQSZACIVSA-N 2 2 295.362 0.451 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000582410349 328982986 /nfs/dbraw/zinc/98/29/86/328982986.db2.gz VGWSBOBZPUHENT-CYBMUJFWSA-N 2 2 284.404 0.102 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](O)CC12CCC2 ZINC000582614700 329117963 /nfs/dbraw/zinc/11/79/63/329117963.db2.gz IJRNDWHEUGZMJJ-CHWSQXEVSA-N 2 2 256.390 0.678 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](O)CC12CCC2 ZINC000582614700 329117964 /nfs/dbraw/zinc/11/79/64/329117964.db2.gz IJRNDWHEUGZMJJ-CHWSQXEVSA-N 2 2 256.390 0.678 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000582614700 329117966 /nfs/dbraw/zinc/11/79/66/329117966.db2.gz IJRNDWHEUGZMJJ-CHWSQXEVSA-N 2 2 256.390 0.678 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000582614700 329117967 /nfs/dbraw/zinc/11/79/67/329117967.db2.gz IJRNDWHEUGZMJJ-CHWSQXEVSA-N 2 2 256.390 0.678 20 0 CCADLP CN(C)c1cccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])n1 ZINC000582773247 329161892 /nfs/dbraw/zinc/16/18/92/329161892.db2.gz FIWBQYOWUOAEQP-NSHDSACASA-N 2 2 292.387 0.254 20 0 CCADLP CN(C)c1cccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])n1 ZINC000582773247 329161894 /nfs/dbraw/zinc/16/18/94/329161894.db2.gz FIWBQYOWUOAEQP-NSHDSACASA-N 2 2 292.387 0.254 20 0 CCADLP C[C@H](C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)[NH+]1CC(C)C1 ZINC000583151639 329323113 /nfs/dbraw/zinc/32/31/13/329323113.db2.gz GXXYVTOSNVCXAF-MNOVXSKESA-N 2 2 262.357 0.723 20 0 CCADLP Cc1cc(CNC(=O)C[C@@H]2C[NH2+]CCO2)cc(C)[nH+]1 ZINC000575801128 335116690 /nfs/dbraw/zinc/11/66/90/335116690.db2.gz FHXATUINSYEOKI-CYBMUJFWSA-N 2 2 263.341 0.693 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)CC1 ZINC000575920243 335131067 /nfs/dbraw/zinc/13/10/67/335131067.db2.gz RFLGHNJBENIMDU-HUUCEWRRSA-N 2 2 295.427 0.651 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)CC1 ZINC000575920243 335131069 /nfs/dbraw/zinc/13/10/69/335131069.db2.gz RFLGHNJBENIMDU-HUUCEWRRSA-N 2 2 295.427 0.651 20 0 CCADLP CN(CC[NH+]1CCOCC1)c1cc(NC2CC2)[nH+]cn1 ZINC000575969263 335136147 /nfs/dbraw/zinc/13/61/47/335136147.db2.gz WPBYJYXHSMVFEU-UHFFFAOYSA-N 2 2 277.372 0.819 20 0 CCADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H](C)CO ZINC000575987593 335138920 /nfs/dbraw/zinc/13/89/20/335138920.db2.gz QERFUXTWCKLXIV-RKQHYHRCSA-N 2 2 274.405 0.063 20 0 CCADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H](C)CO ZINC000575987593 335138921 /nfs/dbraw/zinc/13/89/21/335138921.db2.gz QERFUXTWCKLXIV-RKQHYHRCSA-N 2 2 274.405 0.063 20 0 CCADLP CCN(CC)C(=O)[C@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000565634994 334582062 /nfs/dbraw/zinc/58/20/62/334582062.db2.gz WIJJPLQPOCIMOH-LBPRGKRZSA-N 2 2 279.388 0.789 20 0 CCADLP C[C@@H](C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)[NH+]1CC(C)C1 ZINC000576529089 335215751 /nfs/dbraw/zinc/21/57/51/335215751.db2.gz OEFRVFKVACZLEB-LBPRGKRZSA-N 2 2 285.351 0.968 20 0 CCADLP COc1ccncc1C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000576861460 335256649 /nfs/dbraw/zinc/25/66/49/335256649.db2.gz RPAPTQTVDSXKOM-DGCLKSJQSA-N 2 2 265.357 0.947 20 0 CCADLP O=C(C[C@@H]1CSCC[NH2+]1)Nc1cc[nH+]cc1O ZINC000580548062 335276170 /nfs/dbraw/zinc/27/61/70/335276170.db2.gz BUROFSOQMYVFME-MRVPVSSYSA-N 2 2 253.327 0.243 20 0 CCADLP C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000577006589 335278111 /nfs/dbraw/zinc/27/81/11/335278111.db2.gz ZLAYJQQOMWMTDG-JTQLQIEISA-N 2 2 287.323 0.093 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3cc(O)cc(F)c3)CCN2C1=O ZINC000580570768 335285232 /nfs/dbraw/zinc/28/52/32/335285232.db2.gz LINLRHWGTKHOLL-WCQYABFASA-N 2 2 279.315 0.275 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3cc(O)cc(F)c3)CCN2C1=O ZINC000580570768 335285233 /nfs/dbraw/zinc/28/52/33/335285233.db2.gz LINLRHWGTKHOLL-WCQYABFASA-N 2 2 279.315 0.275 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000577040237 335287642 /nfs/dbraw/zinc/28/76/42/335287642.db2.gz SXEAWAHECNJMLF-CHWSQXEVSA-N 2 2 291.399 0.934 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000577040237 335287643 /nfs/dbraw/zinc/28/76/43/335287643.db2.gz SXEAWAHECNJMLF-CHWSQXEVSA-N 2 2 291.399 0.934 20 0 CCADLP C[NH2+][C@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000580644430 335310337 /nfs/dbraw/zinc/31/03/37/335310337.db2.gz OUZABSIZQYWGJR-NSHDSACASA-N 2 2 271.324 0.701 20 0 CCADLP C[N@@H+]1CCc2ncnc(NC[C@@H]3CC[NH2+]CC3(F)F)c2C1 ZINC000577209232 335323051 /nfs/dbraw/zinc/32/30/51/335323051.db2.gz AWPHACKWCGEQMJ-JTQLQIEISA-N 2 2 297.353 0.543 20 0 CCADLP C[N@H+]1CCc2ncnc(NC[C@@H]3CC[NH2+]CC3(F)F)c2C1 ZINC000577209232 335323052 /nfs/dbraw/zinc/32/30/52/335323052.db2.gz AWPHACKWCGEQMJ-JTQLQIEISA-N 2 2 297.353 0.543 20 0 CCADLP CC[N@@H+]1CC[C@H](NC[C@H](O)C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000577275642 335333593 /nfs/dbraw/zinc/33/35/93/335333593.db2.gz KHRSHHUJVFBAJW-XGUBFFRZSA-N 2 2 285.432 0.140 20 0 CCADLP CC[N@H+]1CC[C@H](NC[C@H](O)C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000577275642 335333595 /nfs/dbraw/zinc/33/35/95/335333595.db2.gz KHRSHHUJVFBAJW-XGUBFFRZSA-N 2 2 285.432 0.140 20 0 CCADLP CC[NH+]1CC[C@H](NC[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000577275642 335333598 /nfs/dbraw/zinc/33/35/98/335333598.db2.gz KHRSHHUJVFBAJW-XGUBFFRZSA-N 2 2 285.432 0.140 20 0 CCADLP CC[NH+]1C[C@H](C)N(C(=O)[C@H](C)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000577295568 335336527 /nfs/dbraw/zinc/33/65/27/335336527.db2.gz SJTBHBMIYVOHNY-KKUMJFAQSA-N 2 2 296.459 0.563 20 0 CCADLP [NH3+][C@@H](CC(F)F)C(=O)NCCNc1cccc[nH+]1 ZINC000577606611 335376953 /nfs/dbraw/zinc/37/69/53/335376953.db2.gz BXXNLEUCYIKLBE-QMMMGPOBSA-N 2 2 258.272 0.592 20 0 CCADLP [NH3+]C[C@H]1CN(C(=O)Nc2ccc3[nH+]ccn3c2)CCCO1 ZINC000577627817 335381941 /nfs/dbraw/zinc/38/19/41/335381941.db2.gz IQXUWQOFSCDYBQ-LBPRGKRZSA-N 2 2 289.339 0.916 20 0 CCADLP [NH3+]CCCCC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000578887752 335685882 /nfs/dbraw/zinc/68/58/82/335685882.db2.gz YINVSEGXHJZWFJ-UHFFFAOYSA-N 2 2 295.387 0.283 20 0 CCADLP COC(=O)[C@H](O)C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000182970244 335853679 /nfs/dbraw/zinc/85/36/79/335853679.db2.gz WAOCTAJWDCOZIL-CYBMUJFWSA-N 2 2 281.356 0.519 20 0 CCADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000581135196 336013835 /nfs/dbraw/zinc/01/38/35/336013835.db2.gz FJFLXAMRUKNTEK-HNNXBMFYSA-N 2 2 281.375 0.918 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](N2CCOCC2)C1 ZINC000382767393 336096606 /nfs/dbraw/zinc/09/66/06/336096606.db2.gz UDJDXGJMESTTSC-GJZGRUSLSA-N 2 2 285.432 0.096 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](N2CCOCC2)C1 ZINC000382767393 336096607 /nfs/dbraw/zinc/09/66/07/336096607.db2.gz UDJDXGJMESTTSC-GJZGRUSLSA-N 2 2 285.432 0.096 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000382767393 336096608 /nfs/dbraw/zinc/09/66/08/336096608.db2.gz UDJDXGJMESTTSC-GJZGRUSLSA-N 2 2 285.432 0.096 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000382767393 336096609 /nfs/dbraw/zinc/09/66/09/336096609.db2.gz UDJDXGJMESTTSC-GJZGRUSLSA-N 2 2 285.432 0.096 20 0 CCADLP CC[NH2+]CC1CCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000581549093 336100731 /nfs/dbraw/zinc/10/07/31/336100731.db2.gz SRNWUBIWFIFQCW-CQSZACIVSA-N 2 2 296.459 0.470 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCSC2)[C@H](C[NH3+])C1 ZINC000581597781 336109131 /nfs/dbraw/zinc/10/91/31/336109131.db2.gz WWVNPIZPNJTRQC-WDEREUQCSA-N 2 2 272.418 0.024 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCSC2)[C@H](C[NH3+])C1 ZINC000581597781 336109132 /nfs/dbraw/zinc/10/91/32/336109132.db2.gz WWVNPIZPNJTRQC-WDEREUQCSA-N 2 2 272.418 0.024 20 0 CCADLP C[C@@H](CCCO)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000384791766 336131261 /nfs/dbraw/zinc/13/12/61/336131261.db2.gz WWTHDAQTEZDZEJ-NSHDSACASA-N 2 2 254.378 0.984 20 0 CCADLP C[C@H](O)[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)CCO1 ZINC000581832616 336149325 /nfs/dbraw/zinc/14/93/25/336149325.db2.gz NYVDLCWTSXJPPR-AAEUAGOBSA-N 2 2 253.346 0.434 20 0 CCADLP C[C@H](O)[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)CCO1 ZINC000581832616 336149327 /nfs/dbraw/zinc/14/93/27/336149327.db2.gz NYVDLCWTSXJPPR-AAEUAGOBSA-N 2 2 253.346 0.434 20 0 CCADLP C[C@H]([NH2+]CCCN1CCOCC1)[C@H]1CCCC[NH2+]1 ZINC000386521022 336176284 /nfs/dbraw/zinc/17/62/84/336176284.db2.gz YUAPVIVSDVLBLX-UONOGXRCSA-N 2 2 255.406 0.829 20 0 CCADLP C[C@H](NCCC[NH+]1CCOCC1)[C@H]1CCCC[NH2+]1 ZINC000386521022 336176285 /nfs/dbraw/zinc/17/62/85/336176285.db2.gz YUAPVIVSDVLBLX-UONOGXRCSA-N 2 2 255.406 0.829 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)NCCn1cc[nH+]c1 ZINC000340050009 520703771 /nfs/dbraw/zinc/70/37/71/520703771.db2.gz YWXHSAPOSQKCPP-UHFFFAOYSA-N 2 2 274.390 0.144 20 0 CCADLP C[C@@H](C[NH3+])NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000418568057 533796036 /nfs/dbraw/zinc/79/60/36/533796036.db2.gz OIXCHHLGDPEREL-QWHCGFSZSA-N 2 2 284.404 0.230 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1cnn(C)c1 ZINC000453254287 533880603 /nfs/dbraw/zinc/88/06/03/533880603.db2.gz DLLBGZXEOYUCGR-JSGCOSHPSA-N 2 2 266.389 0.918 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1cnn(C)c1 ZINC000453254287 533880609 /nfs/dbraw/zinc/88/06/09/533880609.db2.gz DLLBGZXEOYUCGR-JSGCOSHPSA-N 2 2 266.389 0.918 20 0 CCADLP C[C@@]1(CNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CCC[NH2+]C1 ZINC000418251746 534267265 /nfs/dbraw/zinc/26/72/65/534267265.db2.gz YCUBPCFGTKCGDI-IAQYHMDHSA-N 2 2 291.399 0.956 20 0 CCADLP C[C@@]1(CNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CCC[NH2+]C1 ZINC000418251746 534267268 /nfs/dbraw/zinc/26/72/68/534267268.db2.gz YCUBPCFGTKCGDI-IAQYHMDHSA-N 2 2 291.399 0.956 20 0 CCADLP C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H](C)[N@H+]1CCO ZINC000493696773 534277621 /nfs/dbraw/zinc/27/76/21/534277621.db2.gz YGLXMHXZAPVYIX-XVGAQQEPSA-N 2 2 278.356 0.336 20 0 CCADLP C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H](C)[N@@H+]1CCO ZINC000493696773 534277622 /nfs/dbraw/zinc/27/76/22/534277622.db2.gz YGLXMHXZAPVYIX-XVGAQQEPSA-N 2 2 278.356 0.336 20 0 CCADLP OCCC[N@@H+]1CCC[C@@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000449397127 534356857 /nfs/dbraw/zinc/35/68/57/534356857.db2.gz OHWAJNDQSDJPAI-UONOGXRCSA-N 2 2 256.390 0.849 20 0 CCADLP OCCC[N@H+]1CCC[C@@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000449397127 534356860 /nfs/dbraw/zinc/35/68/60/534356860.db2.gz OHWAJNDQSDJPAI-UONOGXRCSA-N 2 2 256.390 0.849 20 0 CCADLP CC(C)COC[C@H](O)C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000049235112 519758734 /nfs/dbraw/zinc/75/87/34/519758734.db2.gz QLRSNNFIHPACBC-QWHCGFSZSA-N 2 2 255.362 0.895 20 0 CCADLP CC[NH+](CC)CCNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000367845188 520676563 /nfs/dbraw/zinc/67/65/63/520676563.db2.gz BDJPBWBRLFJSFH-NSHDSACASA-N 2 2 279.388 0.908 20 0 CCADLP CC[NH+](CC)CCNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000367845188 520676572 /nfs/dbraw/zinc/67/65/72/520676572.db2.gz BDJPBWBRLFJSFH-NSHDSACASA-N 2 2 279.388 0.908 20 0 CCADLP c1nc2cnccn2c1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427140722 534537252 /nfs/dbraw/zinc/53/72/52/534537252.db2.gz UQCQCDBUTOMXQV-AAEUAGOBSA-N 2 2 257.341 0.913 20 0 CCADLP c1nc2cnccn2c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427140722 534537258 /nfs/dbraw/zinc/53/72/58/534537258.db2.gz UQCQCDBUTOMXQV-AAEUAGOBSA-N 2 2 257.341 0.913 20 0 CCADLP CCC[C@H]([NH2+]C(C)C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000353106212 521147904 /nfs/dbraw/zinc/14/79/04/521147904.db2.gz BKYKZCQMVIVWAV-KGLIPLIRSA-N 2 2 285.432 0.990 20 0 CCADLP CCC[C@H]([NH2+]C(C)C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000353106212 521147908 /nfs/dbraw/zinc/14/79/08/521147908.db2.gz BKYKZCQMVIVWAV-KGLIPLIRSA-N 2 2 285.432 0.990 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCO[C@@H](C)[C@@H]2C)CC1 ZINC000156114755 521572154 /nfs/dbraw/zinc/57/21/54/521572154.db2.gz LRYNQPSIFQFLOK-STQMWFEESA-N 2 2 283.416 0.696 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCO[C@@H](C)[C@@H]2C)CC1 ZINC000156114755 521572157 /nfs/dbraw/zinc/57/21/57/521572157.db2.gz LRYNQPSIFQFLOK-STQMWFEESA-N 2 2 283.416 0.696 20 0 CCADLP O=C(NC[C@@H]1CCC[NH2+]C1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000422751016 534576004 /nfs/dbraw/zinc/57/60/04/534576004.db2.gz AUODWFBSNQLIAH-HIFRSBDPSA-N 2 2 295.427 0.746 20 0 CCADLP O=C(NC[C@@H]1CCC[NH2+]C1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000422751016 534576008 /nfs/dbraw/zinc/57/60/08/534576008.db2.gz AUODWFBSNQLIAH-HIFRSBDPSA-N 2 2 295.427 0.746 20 0 CCADLP O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)[C@H]1CCCC[NH2+]1 ZINC000423760024 534602063 /nfs/dbraw/zinc/60/20/63/534602063.db2.gz PTVIVGZUUHHFEP-CHWSQXEVSA-N 2 2 267.373 0.108 20 0 CCADLP O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)[C@H]1CCCC[NH2+]1 ZINC000423760024 534602065 /nfs/dbraw/zinc/60/20/65/534602065.db2.gz PTVIVGZUUHHFEP-CHWSQXEVSA-N 2 2 267.373 0.108 20 0 CCADLP CC[C@H](C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)[NH+](C)C ZINC000363707759 523763073 /nfs/dbraw/zinc/76/30/73/523763073.db2.gz APIRZIAUQYYWEG-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)NC[C@@H]3CCCO3)C2)C1 ZINC000366537175 523976196 /nfs/dbraw/zinc/97/61/96/523976196.db2.gz VVYQXQCGWALGPG-DZGCQCFKSA-N 2 2 281.400 0.309 20 0 CCADLP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)NC[C@@H]3CCCO3)C2)C1 ZINC000366537175 523976200 /nfs/dbraw/zinc/97/62/00/523976200.db2.gz VVYQXQCGWALGPG-DZGCQCFKSA-N 2 2 281.400 0.309 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)NC[C@@H]3CCCO3)C2)C1 ZINC000366537175 523976201 /nfs/dbraw/zinc/97/62/01/523976201.db2.gz VVYQXQCGWALGPG-DZGCQCFKSA-N 2 2 281.400 0.309 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)NC[C@@H]3CCCO3)C2)C1 ZINC000366537175 523976205 /nfs/dbraw/zinc/97/62/05/523976205.db2.gz VVYQXQCGWALGPG-DZGCQCFKSA-N 2 2 281.400 0.309 20 0 CCADLP C[C@@H](C(=O)N1CCC[C@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000357535207 524119660 /nfs/dbraw/zinc/11/96/60/524119660.db2.gz YXRNJWGDVLHBFG-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000342607246 534774237 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0.411 20 0 CCADLP O=C(NCC1CC[NH+](C2CC2)CC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000423912114 534818642 /nfs/dbraw/zinc/81/86/42/534818642.db2.gz JGXPHGNMEVIMJJ-LBPRGKRZSA-N 2 2 287.354 0.974 20 0 CCADLP C[C@]([NH3+])(C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000052881201 525144917 /nfs/dbraw/zinc/14/49/17/525144917.db2.gz ZJZRLJWQKWHHLH-OAHLLOKOSA-N 2 2 277.368 0.309 20 0 CCADLP CC(C)O[C@@H]1C[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000361239393 534912796 /nfs/dbraw/zinc/91/27/96/534912796.db2.gz ZHYUTCRCWUNISN-UONOGXRCSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@@H](Nc1cc(NC[C@H](C)O)[nH+]cn1)[C@@H]1C[N@H+](C)CCO1 ZINC000665707826 545104197 /nfs/dbraw/zinc/10/41/97/545104197.db2.gz DUTFXFGKDMPIBY-TUAOUCFPSA-N 2 2 295.387 0.400 20 0 CCADLP C[C@@H](Nc1cc(NC[C@H](C)O)[nH+]cn1)[C@@H]1C[N@@H+](C)CCO1 ZINC000665707826 545104198 /nfs/dbraw/zinc/10/41/98/545104198.db2.gz DUTFXFGKDMPIBY-TUAOUCFPSA-N 2 2 295.387 0.400 20 0 CCADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)NC(=O)NC1CC1 ZINC000150767137 526806127 /nfs/dbraw/zinc/80/61/27/526806127.db2.gz WMHUWXLLIOIDCI-GFCCVEGCSA-N 2 2 294.399 0.392 20 0 CCADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)NC(=O)NC1CC1 ZINC000150767137 526806130 /nfs/dbraw/zinc/80/61/30/526806130.db2.gz WMHUWXLLIOIDCI-GFCCVEGCSA-N 2 2 294.399 0.392 20 0 CCADLP Cc1nc(CN2CC[NH+](CCCn3cc[nH+]c3)CC2)no1 ZINC000183190016 526863889 /nfs/dbraw/zinc/86/38/89/526863889.db2.gz NDCSVGHBDUPBRH-UHFFFAOYSA-N 2 2 290.371 0.782 20 0 CCADLP CC(C)(CN1CCOCC1)[NH2+]CCCn1cc[nH+]c1 ZINC000308636324 527088868 /nfs/dbraw/zinc/08/88/68/527088868.db2.gz QZIYXUMNNRJTOV-UHFFFAOYSA-N 2 2 266.389 0.974 20 0 CCADLP Cc1[nH+]cc(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)n1C ZINC000667595966 545150558 /nfs/dbraw/zinc/15/05/58/545150558.db2.gz VRPYNUGYMWVLBY-GJZGRUSLSA-N 2 2 278.400 0.760 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(Cc2c[nH+]c(C)n2C)CC1 ZINC000667676155 545153486 /nfs/dbraw/zinc/15/34/86/545153486.db2.gz HRONEGOKPRTVPU-ZDUSSCGKSA-N 2 2 266.389 0.617 20 0 CCADLP Cc1[nH+]cc(C[N@@H+]2CCN3CCOC[C@@H]3C2)n1C ZINC000667982755 545159941 /nfs/dbraw/zinc/15/99/41/545159941.db2.gz PNSMMINZCWBAOM-ZDUSSCGKSA-N 2 2 250.346 0.245 20 0 CCADLP Cc1[nH+]cc(C[N@H+]2CCN3CCOC[C@@H]3C2)n1C ZINC000667982755 545159942 /nfs/dbraw/zinc/15/99/42/545159942.db2.gz PNSMMINZCWBAOM-ZDUSSCGKSA-N 2 2 250.346 0.245 20 0 CCADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)n1C ZINC000668012505 545161305 /nfs/dbraw/zinc/16/13/05/545161305.db2.gz CYORVYHIZUMLOX-BXKDBHETSA-N 2 2 250.346 0.814 20 0 CCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)n1C ZINC000668012505 545161306 /nfs/dbraw/zinc/16/13/06/545161306.db2.gz CYORVYHIZUMLOX-BXKDBHETSA-N 2 2 250.346 0.814 20 0 CCADLP CC1(C)CN(Cc2c[nH+]c3n2CCC3)CC[N@@H+]1CCO ZINC000668029927 545161720 /nfs/dbraw/zinc/16/17/20/545161720.db2.gz FUWIVFDRQKTBPL-UHFFFAOYSA-N 2 2 278.400 0.718 20 0 CCADLP CC1(C)CN(Cc2c[nH+]c3n2CCC3)CC[N@H+]1CCO ZINC000668029927 545161721 /nfs/dbraw/zinc/16/17/21/545161721.db2.gz FUWIVFDRQKTBPL-UHFFFAOYSA-N 2 2 278.400 0.718 20 0 CCADLP C(CN1CCOCC1)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428041382 527482310 /nfs/dbraw/zinc/48/23/10/527482310.db2.gz PNPZKYTYYJZVTA-KBPBESRZSA-N 2 2 253.390 0.393 20 0 CCADLP C(CN1CCOCC1)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428041382 527482312 /nfs/dbraw/zinc/48/23/12/527482312.db2.gz PNPZKYTYYJZVTA-KBPBESRZSA-N 2 2 253.390 0.393 20 0 CCADLP C(C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)C[NH2+]C1CC1 ZINC000423572782 527485276 /nfs/dbraw/zinc/48/52/76/527485276.db2.gz YRTSQATZJWAJJO-UONOGXRCSA-N 3 2 253.390 0.485 20 0 CCADLP COC[C@@]1(CO)CC[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000668226466 545168319 /nfs/dbraw/zinc/16/83/19/545168319.db2.gz MTDMVCOCLYVHOC-ZDUSSCGKSA-N 2 2 253.346 0.559 20 0 CCADLP COC[C@@]1(CO)CC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000668226466 545168320 /nfs/dbraw/zinc/16/83/20/545168320.db2.gz MTDMVCOCLYVHOC-ZDUSSCGKSA-N 2 2 253.346 0.559 20 0 CCADLP C[C@H]1C(=O)N(CC[NH+](C)C)CN1Cc1c[nH+]c2n1CCC2 ZINC000668275017 545170421 /nfs/dbraw/zinc/17/04/21/545170421.db2.gz QGKSZAHQGYFVEC-LBPRGKRZSA-N 2 2 291.399 0.381 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)n1C ZINC000668600566 545183357 /nfs/dbraw/zinc/18/33/57/545183357.db2.gz UCFBCYQSSMOBDW-GXFFZTMASA-N 2 2 250.346 0.443 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)n1C ZINC000668600566 545183358 /nfs/dbraw/zinc/18/33/58/545183358.db2.gz UCFBCYQSSMOBDW-GXFFZTMASA-N 2 2 250.346 0.443 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@@H]1CCCC[NH2+]C1 ZINC000423556145 527901850 /nfs/dbraw/zinc/90/18/50/527901850.db2.gz MNGFIJJEISENIT-GRYCIOLGSA-N 2 2 255.362 0.012 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669323310 545205478 /nfs/dbraw/zinc/20/54/78/545205478.db2.gz LZBISCUJVBFAED-MCIONIFRSA-N 2 2 296.415 0.101 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493526069 528166987 /nfs/dbraw/zinc/16/69/87/528166987.db2.gz VOBZNVUSVFPTSF-BTDICHCPSA-N 2 2 280.372 0.632 20 0 CCADLP CCN(CC)S(=O)(=O)CC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422865621 528208856 /nfs/dbraw/zinc/20/88/56/528208856.db2.gz YUHCEUCZGSQMRL-STQMWFEESA-N 2 2 291.461 0.778 20 0 CCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CC[NH2+]CC1 ZINC000669542944 545213970 /nfs/dbraw/zinc/21/39/70/545213970.db2.gz VLWSWSUWVBAIRT-GFCCVEGCSA-N 2 2 275.356 0.275 20 0 CCADLP CC(C)C[C@H](C)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000669541277 545214001 /nfs/dbraw/zinc/21/40/01/545214001.db2.gz DTCKLIHRLVRLSQ-RYUDHWBXSA-N 2 2 256.394 0.705 20 0 CCADLP CC(C)C[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000669541277 545214002 /nfs/dbraw/zinc/21/40/02/545214002.db2.gz DTCKLIHRLVRLSQ-RYUDHWBXSA-N 2 2 256.394 0.705 20 0 CCADLP CCC1(O)CCC(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000669550730 545214354 /nfs/dbraw/zinc/21/43/54/545214354.db2.gz WITLQFRGVVOCMJ-OWYJLGKBSA-N 2 2 298.431 0.354 20 0 CCADLP CCC1(O)CCC(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000669550730 545214355 /nfs/dbraw/zinc/21/43/55/545214355.db2.gz WITLQFRGVVOCMJ-OWYJLGKBSA-N 2 2 298.431 0.354 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000418415108 528518761 /nfs/dbraw/zinc/51/87/61/528518761.db2.gz UEXXIRNRPKMOLK-ZDUSSCGKSA-N 2 2 291.399 0.897 20 0 CCADLP CC(C)n1cncc1C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000424142198 528624719 /nfs/dbraw/zinc/62/47/19/528624719.db2.gz ICDMSDJIGSXTCP-CQSZACIVSA-N 2 2 293.415 0.893 20 0 CCADLP CC(C)n1cncc1C[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000424142198 528624725 /nfs/dbraw/zinc/62/47/25/528624725.db2.gz ICDMSDJIGSXTCP-CQSZACIVSA-N 2 2 293.415 0.893 20 0 CCADLP CC[N@H+](C[C@@H](C)OC)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000361561483 528653849 /nfs/dbraw/zinc/65/38/49/528653849.db2.gz AFZIKGYADDMVBS-KGLIPLIRSA-N 2 2 285.432 0.896 20 0 CCADLP CC[N@@H+](C[C@@H](C)OC)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000361561483 528653854 /nfs/dbraw/zinc/65/38/54/528653854.db2.gz AFZIKGYADDMVBS-KGLIPLIRSA-N 2 2 285.432 0.896 20 0 CCADLP CC[C@H](C(=O)N[C@@H]1CCc2c[nH+]cn2C1)[NH+](C)C ZINC000672147241 545262925 /nfs/dbraw/zinc/26/29/25/545262925.db2.gz IXHFUTSZXLBBBI-ZYHUDNBSSA-N 2 2 250.346 0.654 20 0 CCADLP O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000672154488 545263424 /nfs/dbraw/zinc/26/34/24/545263424.db2.gz MZSDXOWLYPCDGP-RISCZKNCSA-N 2 2 274.368 0.941 20 0 CCADLP O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000672154488 545263425 /nfs/dbraw/zinc/26/34/25/545263425.db2.gz MZSDXOWLYPCDGP-RISCZKNCSA-N 2 2 274.368 0.941 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)[C@H](C)[NH3+] ZINC000423763924 528920493 /nfs/dbraw/zinc/92/04/93/528920493.db2.gz UWWKVMCPOACYEX-YUTCNCBUSA-N 2 2 283.416 0.585 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)[C@H](C)[NH3+] ZINC000423763924 528920496 /nfs/dbraw/zinc/92/04/96/528920496.db2.gz UWWKVMCPOACYEX-YUTCNCBUSA-N 2 2 283.416 0.585 20 0 CCADLP CCC([NH3+])(CC)CNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000418207837 528935892 /nfs/dbraw/zinc/93/58/92/528935892.db2.gz IKDJPUNZFFSXQO-CYBMUJFWSA-N 2 2 298.431 0.666 20 0 CCADLP CCC([NH3+])(CC)CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000418207837 528935895 /nfs/dbraw/zinc/93/58/95/528935895.db2.gz IKDJPUNZFFSXQO-CYBMUJFWSA-N 2 2 298.431 0.666 20 0 CCADLP CC[NH+]1CCC([NH2+]CC2(S(C)(=O)=O)CC2)CC1 ZINC000355427033 528986521 /nfs/dbraw/zinc/98/65/21/528986521.db2.gz VXESJBRRPFAQDR-UHFFFAOYSA-N 2 2 260.403 0.638 20 0 CCADLP Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H](CO)C[NH+](C)C ZINC000673520311 545286794 /nfs/dbraw/zinc/28/67/94/545286794.db2.gz DKSZKFGIOJWJCH-GFCCVEGCSA-N 2 2 290.367 0.383 20 0 CCADLP C[C@@H](C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[NH+](C)C ZINC000674246672 545301688 /nfs/dbraw/zinc/30/16/88/545301688.db2.gz PDHFKSDNEHIUOY-LBPRGKRZSA-N 2 2 295.387 0.104 20 0 CCADLP C[C@@H]1CN(C[C@H]2C[N@H+](C)CCO2)CC[NH+]1[C@@H]1CCCOC1 ZINC000674300699 545303584 /nfs/dbraw/zinc/30/35/84/545303584.db2.gz DXAYQGVVVULOTR-BZUAXINKSA-N 2 2 297.443 0.502 20 0 CCADLP C[C@@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1[C@@H]1CCCOC1 ZINC000674300699 545303585 /nfs/dbraw/zinc/30/35/85/545303585.db2.gz DXAYQGVVVULOTR-BZUAXINKSA-N 2 2 297.443 0.502 20 0 CCADLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1[C@@H]1CCCOC1 ZINC000674300699 545303586 /nfs/dbraw/zinc/30/35/86/545303586.db2.gz DXAYQGVVVULOTR-BZUAXINKSA-N 2 2 297.443 0.502 20 0 CCADLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1[C@@H]1CCCOC1 ZINC000674300699 545303587 /nfs/dbraw/zinc/30/35/87/545303587.db2.gz DXAYQGVVVULOTR-BZUAXINKSA-N 2 2 297.443 0.502 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NCc2[nH+]ccn2C)C[N@@H+]1C1CC1 ZINC000674699933 545310489 /nfs/dbraw/zinc/31/04/89/545310489.db2.gz WPTIUICBAVPNTD-MNOVXSKESA-N 2 2 277.372 0.845 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NCc2[nH+]ccn2C)C[N@H+]1C1CC1 ZINC000674699933 545310490 /nfs/dbraw/zinc/31/04/90/545310490.db2.gz WPTIUICBAVPNTD-MNOVXSKESA-N 2 2 277.372 0.845 20 0 CCADLP CCCC[N@H+](C)CCNc1nc[nH+]c(N)c1OC ZINC000517391362 535217756 /nfs/dbraw/zinc/21/77/56/535217756.db2.gz QRXJKAAAXOYTIK-UHFFFAOYSA-N 2 2 253.350 0.633 20 0 CCADLP CCCC[N@@H+](C)CCNc1nc[nH+]c(N)c1OC ZINC000517391362 535217764 /nfs/dbraw/zinc/21/77/64/535217764.db2.gz QRXJKAAAXOYTIK-UHFFFAOYSA-N 2 2 253.350 0.633 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)C[N@@H+]1C1CC1 ZINC000675747300 545331119 /nfs/dbraw/zinc/33/11/19/545331119.db2.gz XPBZYCUKMBYBBJ-NWDGAFQWSA-N 2 2 289.445 0.483 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)C[N@H+]1C1CC1 ZINC000675747300 545331120 /nfs/dbraw/zinc/33/11/20/545331120.db2.gz XPBZYCUKMBYBBJ-NWDGAFQWSA-N 2 2 289.445 0.483 20 0 CCADLP CC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cnn(C)c1 ZINC000675782842 545331237 /nfs/dbraw/zinc/33/12/37/545331237.db2.gz ZJCCBRMTGWWQJV-ZDUSSCGKSA-N 2 2 279.388 0.235 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCCOC2)CC1 ZINC000675996312 545333505 /nfs/dbraw/zinc/33/35/05/545333505.db2.gz XXPSCVWBKYRIGY-UONOGXRCSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCCOC2)CC1 ZINC000675996312 545333506 /nfs/dbraw/zinc/33/35/06/545333506.db2.gz XXPSCVWBKYRIGY-UONOGXRCSA-N 2 2 281.400 0.404 20 0 CCADLP Cc1nc(NCC[N@H+](C)C2CC2)nc(N(C)C)[nH+]1 ZINC000676078392 545334498 /nfs/dbraw/zinc/33/44/98/545334498.db2.gz CZRQMIFFDZWHHV-UHFFFAOYSA-N 2 2 250.350 0.752 20 0 CCADLP Cc1nc(NCC[N@@H+](C)C2CC2)nc(N(C)C)[nH+]1 ZINC000676078392 545334499 /nfs/dbraw/zinc/33/44/99/545334499.db2.gz CZRQMIFFDZWHHV-UHFFFAOYSA-N 2 2 250.350 0.752 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262964354 535568359 /nfs/dbraw/zinc/56/83/59/535568359.db2.gz LBYWKVRQVMGICJ-NXEZZACHSA-N 2 2 261.316 0.584 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262964354 535568366 /nfs/dbraw/zinc/56/83/66/535568366.db2.gz LBYWKVRQVMGICJ-NXEZZACHSA-N 2 2 261.316 0.584 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cncnc1 ZINC000676658269 545348071 /nfs/dbraw/zinc/34/80/71/545348071.db2.gz CPTACTGKNSPZHP-UHFFFAOYSA-N 2 2 265.361 0.090 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cncnc1 ZINC000676658269 545348072 /nfs/dbraw/zinc/34/80/72/545348072.db2.gz CPTACTGKNSPZHP-UHFFFAOYSA-N 2 2 265.361 0.090 20 0 CCADLP CCOC(=O)CC[N@H+](C)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000343392255 535645980 /nfs/dbraw/zinc/64/59/80/535645980.db2.gz BCPRBGUYPYFCJS-CYBMUJFWSA-N 2 2 299.415 0.424 20 0 CCADLP CCOC(=O)CC[N@@H+](C)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000343392255 535645983 /nfs/dbraw/zinc/64/59/83/535645983.db2.gz BCPRBGUYPYFCJS-CYBMUJFWSA-N 2 2 299.415 0.424 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)C[C@H]1C ZINC000677195398 545360803 /nfs/dbraw/zinc/36/08/03/545360803.db2.gz UJWXTPYTMXZIRN-KGLIPLIRSA-N 2 2 282.432 0.175 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)C[C@H]1C ZINC000677195398 545360804 /nfs/dbraw/zinc/36/08/04/545360804.db2.gz UJWXTPYTMXZIRN-KGLIPLIRSA-N 2 2 282.432 0.175 20 0 CCADLP CCn1nccc1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261590852 535869890 /nfs/dbraw/zinc/86/98/90/535869890.db2.gz LPUPDSKXXBHNEV-CYBMUJFWSA-N 2 2 263.389 0.383 20 0 CCADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCn3cc[nH+]c3)CC2)C1 ZINC000677986615 545380171 /nfs/dbraw/zinc/38/01/71/545380171.db2.gz SJHJSVAUNMMAQL-OAHLLOKOSA-N 3 2 277.416 0.595 20 0 CCADLP C[N@H+]1CCC[C@@H](N2CC[NH+](CCn3cc[nH+]c3)CC2)C1 ZINC000677986615 545380172 /nfs/dbraw/zinc/38/01/72/545380172.db2.gz SJHJSVAUNMMAQL-OAHLLOKOSA-N 3 2 277.416 0.595 20 0 CCADLP COCC[C@H](C)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000678079789 545383971 /nfs/dbraw/zinc/38/39/71/545383971.db2.gz DAIDCKFNCRTNQE-GXTWGEPZSA-N 2 2 283.416 0.826 20 0 CCADLP COCC[C@H](C)[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000678079789 545383972 /nfs/dbraw/zinc/38/39/72/545383972.db2.gz DAIDCKFNCRTNQE-GXTWGEPZSA-N 2 2 283.416 0.826 20 0 CCADLP c1nc(N2CCCC2)ncc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000678342930 545389245 /nfs/dbraw/zinc/38/92/45/545389245.db2.gz HXMOWXLRBACJIJ-ZIAGYGMSSA-N 2 2 273.384 0.728 20 0 CCADLP Cc1[nH]ncc1[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000679341328 545407375 /nfs/dbraw/zinc/40/73/75/545407375.db2.gz SGGCIEMNTVLHCX-JTQLQIEISA-N 2 2 252.362 0.825 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC(F)C3)C2)CC1 ZINC000680281535 545424874 /nfs/dbraw/zinc/42/48/74/545424874.db2.gz SPUGOGVOADYXCR-GFCCVEGCSA-N 2 2 284.379 0.518 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC(F)C3)C2)CC1 ZINC000680281535 545424875 /nfs/dbraw/zinc/42/48/75/545424875.db2.gz SPUGOGVOADYXCR-GFCCVEGCSA-N 2 2 284.379 0.518 20 0 CCADLP NC(=O)c1c[nH+]ccc1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000680829026 545435389 /nfs/dbraw/zinc/43/53/89/545435389.db2.gz UVAADXVGMLZMJK-ZIAGYGMSSA-N 2 2 290.367 0.216 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]Cc1ccccc1-n1cncn1 ZINC000681095205 545442735 /nfs/dbraw/zinc/44/27/35/545442735.db2.gz NRNSIHAXGOQVSR-UHFFFAOYSA-N 2 2 289.383 0.671 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]Cc1ccccc1-n1cncn1 ZINC000681095205 545442736 /nfs/dbraw/zinc/44/27/36/545442736.db2.gz NRNSIHAXGOQVSR-UHFFFAOYSA-N 2 2 289.383 0.671 20 0 CCADLP C[NH+](C)CCOCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682525131 545482283 /nfs/dbraw/zinc/48/22/83/545482283.db2.gz HVJFIALXYFHGSE-GFCCVEGCSA-N 2 2 280.372 0.140 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[N@H+]1C ZINC000682525792 545482393 /nfs/dbraw/zinc/48/23/93/545482393.db2.gz NRTNNMSKHRZNMH-FRRDWIJNSA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[N@@H+]1C ZINC000682525792 545482394 /nfs/dbraw/zinc/48/23/94/545482394.db2.gz NRTNNMSKHRZNMH-FRRDWIJNSA-N 2 2 276.384 0.997 20 0 CCADLP CN1CCC2(CC[NH+](CCn3cc[nH+]c3)CC2)C1=O ZINC000683675690 545557313 /nfs/dbraw/zinc/55/73/13/545557313.db2.gz INUAVTRANWGHJE-UHFFFAOYSA-N 2 2 262.357 0.827 20 0 CCADLP C[C@@H](F)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC000962146156 649892969 /nfs/dbraw/zinc/89/29/69/649892969.db2.gz HNQFFNFZNJFXHG-PUHVVEEASA-N 2 2 280.347 0.747 20 0 CCADLP C[C@@H](F)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC000962146156 649892970 /nfs/dbraw/zinc/89/29/70/649892970.db2.gz HNQFFNFZNJFXHG-PUHVVEEASA-N 2 2 280.347 0.747 20 0 CCADLP C[C@@H](F)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962291217 649897618 /nfs/dbraw/zinc/89/76/18/649897618.db2.gz DRQMKGZCSXWEEN-PBOSXPJTSA-N 2 2 294.374 0.757 20 0 CCADLP C[C@@H](F)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962291217 649897622 /nfs/dbraw/zinc/89/76/22/649897622.db2.gz DRQMKGZCSXWEEN-PBOSXPJTSA-N 2 2 294.374 0.757 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000726255834 581233638 /nfs/dbraw/zinc/23/36/38/581233638.db2.gz MEJKGNQUCMWKNG-QWHCGFSZSA-N 2 2 295.387 0.292 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000726255834 581233639 /nfs/dbraw/zinc/23/36/39/581233639.db2.gz MEJKGNQUCMWKNG-QWHCGFSZSA-N 2 2 295.387 0.292 20 0 CCADLP C[C@@H](C(=O)OCCC[NH+](C)C)[NH+]1CCSCC1 ZINC000792050491 581245860 /nfs/dbraw/zinc/24/58/60/581245860.db2.gz QRLFGXOTXNFIDJ-NSHDSACASA-N 2 2 260.403 0.919 20 0 CCADLP Cc1cc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)n(C)n1 ZINC000793523037 581302439 /nfs/dbraw/zinc/30/24/39/581302439.db2.gz OYWLZBKOVPMSKF-CHWSQXEVSA-N 2 2 266.389 0.836 20 0 CCADLP CO[C@@H]1CC(=O)N(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000793745121 581310550 /nfs/dbraw/zinc/31/05/50/581310550.db2.gz MJJPUSXFUGEWAQ-OCCSQVGLSA-N 2 2 267.373 0.219 20 0 CCADLP CO[C@@H]1CC(=O)N(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000793745121 581310553 /nfs/dbraw/zinc/31/05/53/581310553.db2.gz MJJPUSXFUGEWAQ-OCCSQVGLSA-N 2 2 267.373 0.219 20 0 CCADLP CO[C@@H]1CC(=O)N(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC000793745121 581310555 /nfs/dbraw/zinc/31/05/55/581310555.db2.gz MJJPUSXFUGEWAQ-OCCSQVGLSA-N 2 2 267.373 0.219 20 0 CCADLP CO[C@@H]1CC(=O)N(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC000793745121 581310558 /nfs/dbraw/zinc/31/05/58/581310558.db2.gz MJJPUSXFUGEWAQ-OCCSQVGLSA-N 2 2 267.373 0.219 20 0 CCADLP CO[C@H]1C[C@@H]([N@H+](C)CN2C[C@@H](c3c[nH+]cn3C)CC2=O)C1 ZINC000795674456 581418735 /nfs/dbraw/zinc/41/87/35/581418735.db2.gz KEMNZISMOPINNR-RWMBFGLXSA-N 2 2 292.383 0.803 20 0 CCADLP CO[C@H]1C[C@@H]([N@@H+](C)CN2C[C@@H](c3c[nH+]cn3C)CC2=O)C1 ZINC000795674456 581418738 /nfs/dbraw/zinc/41/87/38/581418738.db2.gz KEMNZISMOPINNR-RWMBFGLXSA-N 2 2 292.383 0.803 20 0 CCADLP CO[C@H](C)C[N@H+](C)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000795745346 581421123 /nfs/dbraw/zinc/42/11/23/581421123.db2.gz BSZDYSFZPNBYOO-VXGBXAGGSA-N 2 2 280.372 0.660 20 0 CCADLP CO[C@H](C)C[N@@H+](C)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000795745346 581421124 /nfs/dbraw/zinc/42/11/24/581421124.db2.gz BSZDYSFZPNBYOO-VXGBXAGGSA-N 2 2 280.372 0.660 20 0 CCADLP CO[C@H](C)C[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@H](C)OC ZINC000796641917 581447124 /nfs/dbraw/zinc/44/71/24/581447124.db2.gz MLEGXHSWFHCPFS-CLLJXQQHSA-N 2 2 262.394 0.281 20 0 CCADLP CO[C@H](C)C[NH+](C)C[C@@H](O)C[N@H+](C)C[C@H](C)OC ZINC000796641917 581447126 /nfs/dbraw/zinc/44/71/26/581447126.db2.gz MLEGXHSWFHCPFS-CLLJXQQHSA-N 2 2 262.394 0.281 20 0 CCADLP CO[C@H](C)C[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@H](C)OC ZINC000796641917 581447128 /nfs/dbraw/zinc/44/71/28/581447128.db2.gz MLEGXHSWFHCPFS-CLLJXQQHSA-N 2 2 262.394 0.281 20 0 CCADLP CO[C@H](C)C[N@H+](C)C[C@@H](O)C[NH+](C)C[C@H](C)OC ZINC000796641917 581447130 /nfs/dbraw/zinc/44/71/30/581447130.db2.gz MLEGXHSWFHCPFS-CLLJXQQHSA-N 2 2 262.394 0.281 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCc3n[nH]cc32)CC1 ZINC000796726414 581449236 /nfs/dbraw/zinc/44/92/36/581449236.db2.gz FERSTTHLOVSHFW-GFCCVEGCSA-N 2 2 277.372 0.151 20 0 CCADLP O=C(NC1CC1)[C@H]1CCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000733613379 581515842 /nfs/dbraw/zinc/51/58/42/581515842.db2.gz QFQPFNQFBLIJCQ-ZIAGYGMSSA-N 2 2 281.400 0.186 20 0 CCADLP O=C(NC1CC1)[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000733613379 581515845 /nfs/dbraw/zinc/51/58/45/581515845.db2.gz QFQPFNQFBLIJCQ-ZIAGYGMSSA-N 2 2 281.400 0.186 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+](CCS(C)(=O)=O)C(C)C ZINC000766245122 581559007 /nfs/dbraw/zinc/55/90/07/581559007.db2.gz BIPJQUPDFPDDNN-UHFFFAOYSA-N 2 2 273.402 0.947 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+](CCS(C)(=O)=O)C(C)C ZINC000766245122 581559011 /nfs/dbraw/zinc/55/90/11/581559011.db2.gz BIPJQUPDFPDDNN-UHFFFAOYSA-N 2 2 273.402 0.947 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000729351100 581576352 /nfs/dbraw/zinc/57/63/52/581576352.db2.gz UBTPCQXCARMEOD-ZIAGYGMSSA-N 2 2 292.383 0.643 20 0 CCADLP C[C@@H](NC(=S)NCC[NH+](C)C)[C@@H](C)[NH+]1CCOCC1 ZINC000729646881 581608967 /nfs/dbraw/zinc/60/89/67/581608967.db2.gz DVSYNNQESOFRFD-VXGBXAGGSA-N 2 2 288.461 0.121 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)OCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767544956 581617567 /nfs/dbraw/zinc/61/75/67/581617567.db2.gz AOEZGPYVTCTUBD-HZSPNIEDSA-N 2 2 282.384 0.877 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)OCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767544956 581617571 /nfs/dbraw/zinc/61/75/71/581617571.db2.gz AOEZGPYVTCTUBD-HZSPNIEDSA-N 2 2 282.384 0.877 20 0 CCADLP C[NH+]1CCCC[C@@H]1C(=O)OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767544956 581617575 /nfs/dbraw/zinc/61/75/75/581617575.db2.gz AOEZGPYVTCTUBD-HZSPNIEDSA-N 2 2 282.384 0.877 20 0 CCADLP C[NH+]1CCCC[C@@H]1C(=O)OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000767544956 581617578 /nfs/dbraw/zinc/61/75/78/581617578.db2.gz AOEZGPYVTCTUBD-HZSPNIEDSA-N 2 2 282.384 0.877 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)NCc2ccccn2)C1 ZINC000757642875 581705510 /nfs/dbraw/zinc/70/55/10/581705510.db2.gz OHNAIUINRMTQQA-ZDUSSCGKSA-N 2 2 299.378 0.921 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)NCc2ccccn2)C1 ZINC000757642875 581705512 /nfs/dbraw/zinc/70/55/12/581705512.db2.gz OHNAIUINRMTQQA-ZDUSSCGKSA-N 2 2 299.378 0.921 20 0 CCADLP COCCN(CC[NH+](C)C)C(=O)c1cccc2[nH+]ccn21 ZINC000770416894 581742481 /nfs/dbraw/zinc/74/24/81/581742481.db2.gz IYALTCLLLZVHGO-UHFFFAOYSA-N 2 2 290.367 0.985 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000756129317 581840954 /nfs/dbraw/zinc/84/09/54/581840954.db2.gz DVWLGUAJXLCJLD-ZDUSSCGKSA-N 2 2 292.383 0.458 20 0 CCADLP C/C=C\C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732839016 581851726 /nfs/dbraw/zinc/85/17/26/581851726.db2.gz OOHKDQWWTDBJTA-VSQXVHSFSA-N 2 2 251.374 0.847 20 0 CCADLP C/C=C\C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732839016 581851727 /nfs/dbraw/zinc/85/17/27/581851727.db2.gz OOHKDQWWTDBJTA-VSQXVHSFSA-N 2 2 251.374 0.847 20 0 CCADLP OC[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)C1CC1 ZINC000772988501 581866907 /nfs/dbraw/zinc/86/69/07/581866907.db2.gz QNPLEHCMUUEGRA-MRXNPFEDSA-N 2 2 297.443 0.144 20 0 CCADLP OC[C@@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)C1CC1 ZINC000772988501 581866910 /nfs/dbraw/zinc/86/69/10/581866910.db2.gz QNPLEHCMUUEGRA-MRXNPFEDSA-N 2 2 297.443 0.144 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000761075027 581886129 /nfs/dbraw/zinc/88/61/29/581886129.db2.gz ZMRFFNBBVYOJOC-UONOGXRCSA-N 2 2 282.432 0.175 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000761075027 581886130 /nfs/dbraw/zinc/88/61/30/581886130.db2.gz ZMRFFNBBVYOJOC-UONOGXRCSA-N 2 2 282.432 0.175 20 0 CCADLP CC(C)(CNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000416816824 581908852 /nfs/dbraw/zinc/90/88/52/581908852.db2.gz JGOYXYNBLVNMPE-QWHCGFSZSA-N 2 2 298.431 0.666 20 0 CCADLP C[C@@H]1CC(=O)N(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)C1 ZINC000746643237 581921533 /nfs/dbraw/zinc/92/15/33/581921533.db2.gz GIUUOSDDRPGCTC-CBBWQLFWSA-N 2 2 295.427 0.996 20 0 CCADLP C[C@@H]1CC(=O)N(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)C1 ZINC000746643237 581921536 /nfs/dbraw/zinc/92/15/36/581921536.db2.gz GIUUOSDDRPGCTC-CBBWQLFWSA-N 2 2 295.427 0.996 20 0 CCADLP COC[C@]1(C)CC(=O)N(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)C1 ZINC000747456284 581941868 /nfs/dbraw/zinc/94/18/68/581941868.db2.gz HZXFSBMLBTWLLW-UKRRQHHQSA-N 2 2 283.416 0.712 20 0 CCADLP COC[C@]1(C)CC(=O)N(C[N@H+]2CC[C@H](C[NH+](C)C)C2)C1 ZINC000747456284 581941869 /nfs/dbraw/zinc/94/18/69/581941869.db2.gz HZXFSBMLBTWLLW-UKRRQHHQSA-N 2 2 283.416 0.712 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cccnc2Cl)C1 ZINC000762570268 581951612 /nfs/dbraw/zinc/95/16/12/581951612.db2.gz ZYFUXFMCXJMODZ-GFCCVEGCSA-N 2 2 255.749 0.891 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cccnc2Cl)C1 ZINC000762570268 581951614 /nfs/dbraw/zinc/95/16/14/581951614.db2.gz ZYFUXFMCXJMODZ-GFCCVEGCSA-N 2 2 255.749 0.891 20 0 CCADLP CC(C)NC(=S)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000749005536 581994237 /nfs/dbraw/zinc/99/42/37/581994237.db2.gz NPJNWEQOTFFLGC-UHFFFAOYSA-N 2 2 272.462 0.885 20 0 CCADLP CC[NH+]1CCC([N@H+](C)CCN2CCOC2=O)CC1 ZINC000749118042 581997512 /nfs/dbraw/zinc/99/75/12/581997512.db2.gz WSRLGTIDXRAZFT-UHFFFAOYSA-N 2 2 255.362 0.855 20 0 CCADLP CC[NH+]1CCC([N@@H+](C)CCN2CCOC2=O)CC1 ZINC000749118042 581997515 /nfs/dbraw/zinc/99/75/15/581997515.db2.gz WSRLGTIDXRAZFT-UHFFFAOYSA-N 2 2 255.362 0.855 20 0 CCADLP Cc1cc(N2CCN(C3=[NH+]C[C@@H](C)S3)CC2)nc(N)[nH+]1 ZINC000749280293 582002729 /nfs/dbraw/zinc/00/27/29/582002729.db2.gz ACNRODFCBGMADL-SNVBAGLBSA-N 2 2 292.412 0.981 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH+]1C ZINC000776000848 582048852 /nfs/dbraw/zinc/04/88/52/582048852.db2.gz MTPLENMVNFZHGG-MCIONIFRSA-N 2 2 253.390 0.486 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH+]1C ZINC000776000848 582048854 /nfs/dbraw/zinc/04/88/54/582048854.db2.gz MTPLENMVNFZHGG-MCIONIFRSA-N 2 2 253.390 0.486 20 0 CCADLP C[C@@H]1CN(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)CC[N@@H+]1C ZINC000776000848 582048855 /nfs/dbraw/zinc/04/88/55/582048855.db2.gz MTPLENMVNFZHGG-MCIONIFRSA-N 2 2 253.390 0.486 20 0 CCADLP C[C@@H]1CN(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)CC[N@H+]1C ZINC000776000848 582048857 /nfs/dbraw/zinc/04/88/57/582048857.db2.gz MTPLENMVNFZHGG-MCIONIFRSA-N 2 2 253.390 0.486 20 0 CCADLP CN1C(=O)CN(C[N@H+](C)CCCn2cc[nH+]c2)C1=O ZINC000776199343 582058238 /nfs/dbraw/zinc/05/82/38/582058238.db2.gz AYKXEVFCRUEOAL-UHFFFAOYSA-N 2 2 265.317 0.057 20 0 CCADLP CN1C(=O)CN(C[N@@H+](C)CCCn2cc[nH+]c2)C1=O ZINC000776199343 582058240 /nfs/dbraw/zinc/05/82/40/582058240.db2.gz AYKXEVFCRUEOAL-UHFFFAOYSA-N 2 2 265.317 0.057 20 0 CCADLP c1cn(CCC[NH2+]Cc2ccc(-c3nn[nH]n3)o2)c[nH+]1 ZINC000823809591 599391841 /nfs/dbraw/zinc/39/18/41/599391841.db2.gz OKCXNKKONGIKAQ-UHFFFAOYSA-N 2 2 273.300 0.836 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(N2CC[NH2+]CC2)o1 ZINC000904355701 617176892 /nfs/dbraw/zinc/17/68/92/617176892.db2.gz WORSNDGLLKALIP-GHMZBOCLSA-N 3 2 252.362 0.515 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC1CC2(C1)CC([NH2+]CCF)C2 ZINC000965947746 649943659 /nfs/dbraw/zinc/94/36/59/649943659.db2.gz RKUKNHBMDWSDLD-UHFFFAOYSA-N 2 2 280.347 0.870 20 0 CCADLP c1cn(CC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)c[nH+]1 ZINC000823809041 606406802 /nfs/dbraw/zinc/40/68/02/606406802.db2.gz IANJGASYDBYPHS-UHFFFAOYSA-N 2 2 275.341 0.915 20 0 CCADLP CC(C)OC[C@@H](O)C[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880140324 614028799 /nfs/dbraw/zinc/02/87/99/614028799.db2.gz HVRDDEDZEULJFL-MELADBBJSA-N 2 2 256.390 0.941 20 0 CCADLP CC(C)OC[C@@H](O)C[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880140324 614028800 /nfs/dbraw/zinc/02/88/00/614028800.db2.gz HVRDDEDZEULJFL-MELADBBJSA-N 2 2 256.390 0.941 20 0 CCADLP CC(C)OC[C@@H](O)C[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880140324 614028802 /nfs/dbraw/zinc/02/88/02/614028802.db2.gz HVRDDEDZEULJFL-MELADBBJSA-N 2 2 256.390 0.941 20 0 CCADLP CC(C)OC[C@@H](O)C[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880140324 614028804 /nfs/dbraw/zinc/02/88/04/614028804.db2.gz HVRDDEDZEULJFL-MELADBBJSA-N 2 2 256.390 0.941 20 0 CCADLP C(C[N@@H+]1CCNCC[NH2+]CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923461518 613227861 /nfs/dbraw/zinc/22/78/61/613227861.db2.gz YCOMYJXJTTUXBO-GOOCMWNKSA-N 2 2 266.433 0.402 20 0 CCADLP C(C[N@H+]1CCNCC[NH2+]CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923461518 613227864 /nfs/dbraw/zinc/22/78/64/613227864.db2.gz YCOMYJXJTTUXBO-GOOCMWNKSA-N 3 2 266.433 0.402 20 0 CCADLP C(CN1CC[NH2+]CC[NH2+]CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923461518 613227865 /nfs/dbraw/zinc/22/78/65/613227865.db2.gz YCOMYJXJTTUXBO-GOOCMWNKSA-N 3 2 266.433 0.402 20 0 CCADLP C/C(=C/C(=O)NCC[N@@H+](C)C(C)C)C[NH+]1CCOCC1 ZINC000900700935 613236140 /nfs/dbraw/zinc/23/61/40/613236140.db2.gz TUHQRRRGKFHBOX-KAMYIIQDSA-N 2 2 283.416 0.721 20 0 CCADLP C/C(=C/C(=O)NCC[N@H+](C)C(C)C)C[NH+]1CCOCC1 ZINC000900700935 613236141 /nfs/dbraw/zinc/23/61/41/613236141.db2.gz TUHQRRRGKFHBOX-KAMYIIQDSA-N 2 2 283.416 0.721 20 0 CCADLP C/C(=C\C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C)C[NH+]1CCOCC1 ZINC000908412582 613252953 /nfs/dbraw/zinc/25/29/53/613252953.db2.gz FRQSAOYHVISMED-URQVRESPSA-N 2 2 295.427 0.816 20 0 CCADLP C/C(=C\C(=O)NCC1=CC[N@H+](C)CC1)C[NH+]1CCOCC1 ZINC000901329720 613255717 /nfs/dbraw/zinc/25/57/17/613255717.db2.gz HKXSPLALKQOGQM-SDNWHVSQSA-N 2 2 293.411 0.643 20 0 CCADLP C/C(=C\C(=O)NCC1=CC[N@@H+](C)CC1)C[NH+]1CCOCC1 ZINC000901329720 613255720 /nfs/dbraw/zinc/25/57/20/613255720.db2.gz HKXSPLALKQOGQM-SDNWHVSQSA-N 2 2 293.411 0.643 20 0 CCADLP CC(C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000960648954 613903269 /nfs/dbraw/zinc/90/32/69/613903269.db2.gz CWXFFYBFZLOZJL-CXTNEJHOSA-N 2 2 288.395 0.900 20 0 CCADLP CC(C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000960648954 613903270 /nfs/dbraw/zinc/90/32/70/613903270.db2.gz CWXFFYBFZLOZJL-CXTNEJHOSA-N 2 2 288.395 0.900 20 0 CCADLP CC(C)C(=O)NC1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000915679798 613906657 /nfs/dbraw/zinc/90/66/57/613906657.db2.gz FSYIXBHOVAJNGU-OAHLLOKOSA-N 2 2 297.443 0.680 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000908758416 613933295 /nfs/dbraw/zinc/93/32/95/613933295.db2.gz KNRBTCSLUUNKMZ-CMPLNLGQSA-N 2 2 262.357 0.797 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000908758416 613933297 /nfs/dbraw/zinc/93/32/97/613933297.db2.gz KNRBTCSLUUNKMZ-CMPLNLGQSA-N 2 2 262.357 0.797 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@](C)(O)C(F)F)CC1 ZINC000886226669 613939791 /nfs/dbraw/zinc/93/97/91/613939791.db2.gz PSGUABFRLCUOTO-LBPRGKRZSA-N 2 2 280.359 0.827 20 0 CCADLP CC(C)(C)n1nnc(CC[NH2+][C@H]2CC[NH2+]C23CCC3)n1 ZINC000903472934 614070562 /nfs/dbraw/zinc/07/05/62/614070562.db2.gz XDXRGYOBKJDIRI-NSHDSACASA-N 2 2 278.404 0.845 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ncoc2C[NH3+])C1 ZINC000884180163 614098696 /nfs/dbraw/zinc/09/86/96/614098696.db2.gz ONKIEYVYTLRBBY-NSHDSACASA-N 2 2 296.371 0.220 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ncoc2C[NH3+])C1 ZINC000884180163 614098698 /nfs/dbraw/zinc/09/86/98/614098698.db2.gz ONKIEYVYTLRBBY-NSHDSACASA-N 2 2 296.371 0.220 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@@H](O)COC(C)C)C1 ZINC000871978656 614099790 /nfs/dbraw/zinc/09/97/90/614099790.db2.gz XQKMUDSGRZMHSW-HUUCEWRRSA-N 2 2 288.432 0.719 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@@H](O)COC(C)C)C1 ZINC000871978656 614099793 /nfs/dbraw/zinc/09/97/93/614099793.db2.gz XQKMUDSGRZMHSW-HUUCEWRRSA-N 2 2 288.432 0.719 20 0 CCADLP CC(C)(CNC(=O)[C@]12CCC[C@H]1[NH2+]CC2)[NH+]1CCOCC1 ZINC000876711006 614108206 /nfs/dbraw/zinc/10/82/06/614108206.db2.gz RQJTZOHAPOVVGR-CJNGLKHVSA-N 2 2 295.427 0.746 20 0 CCADLP CC(C)CNC(=O)C1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000852745561 614134921 /nfs/dbraw/zinc/13/49/21/614134921.db2.gz VSRUZKXQGVYTKR-AWEZNQCLSA-N 2 2 283.416 0.459 20 0 CCADLP CCCCNC(=O)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931280334 614419138 /nfs/dbraw/zinc/41/91/38/614419138.db2.gz XNLTTWVQAJUDSX-IMRBUKKESA-N 2 2 253.390 0.785 20 0 CCADLP CCCCNC(=O)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931280334 614419140 /nfs/dbraw/zinc/41/91/40/614419140.db2.gz XNLTTWVQAJUDSX-IMRBUKKESA-N 2 2 253.390 0.785 20 0 CCADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912740186 614503462 /nfs/dbraw/zinc/50/34/62/614503462.db2.gz RGHQQKPPPWIVTG-NWDGAFQWSA-N 2 2 271.405 0.288 20 0 CCADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912740186 614503466 /nfs/dbraw/zinc/50/34/66/614503466.db2.gz RGHQQKPPPWIVTG-NWDGAFQWSA-N 2 2 271.405 0.288 20 0 CCADLP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925476715 614532701 /nfs/dbraw/zinc/53/27/01/614532701.db2.gz YFMVYPYUTYSNFX-OAHLLOKOSA-N 2 2 297.443 0.992 20 0 CCADLP CC1(C)CC[NH2+]CC[N@@H+]1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000866697731 614550848 /nfs/dbraw/zinc/55/08/48/614550848.db2.gz WZDLVEPDDYMKOP-OKILXGFUSA-N 2 2 267.417 0.924 20 0 CCADLP CC1(C)CC[NH2+]CC[N@H+]1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000866697731 614550852 /nfs/dbraw/zinc/55/08/52/614550852.db2.gz WZDLVEPDDYMKOP-OKILXGFUSA-N 2 2 267.417 0.924 20 0 CCADLP CC1(C)CC[C@@H](CNC(=O)/C=C/C[NH+]2CCOCC2)[NH2+]C1 ZINC000877151725 614555851 /nfs/dbraw/zinc/55/58/51/614555851.db2.gz QGCACXIKKVBZDD-XGACYXMMSA-N 2 2 295.427 0.769 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)NC[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000891471368 614655141 /nfs/dbraw/zinc/65/51/41/614655141.db2.gz JLIKJVMDELDXKP-TXEJJXNPSA-N 2 2 284.404 0.134 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)NC[C@H]2C[C@@H]([NH3+])C2)CCO1 ZINC000891471368 614655144 /nfs/dbraw/zinc/65/51/44/614655144.db2.gz JLIKJVMDELDXKP-TXEJJXNPSA-N 2 2 284.404 0.134 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)NC[C@H]2C[C@H]([NH3+])C2)CCO1 ZINC000891471364 614655807 /nfs/dbraw/zinc/65/58/07/614655807.db2.gz JLIKJVMDELDXKP-HAQNSBGRSA-N 2 2 284.404 0.134 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)NC[C@H]2C[C@H]([NH3+])C2)CCO1 ZINC000891471364 614655810 /nfs/dbraw/zinc/65/58/10/614655810.db2.gz JLIKJVMDELDXKP-HAQNSBGRSA-N 2 2 284.404 0.134 20 0 CCADLP CC1(C)C[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@H]1[NH3+] ZINC000903786087 614672357 /nfs/dbraw/zinc/67/23/57/614672357.db2.gz DDOBTQGBGXQNDF-SCRDCRAPSA-N 3 2 253.390 0.424 20 0 CCADLP CC1(C)C[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@H]1[NH3+] ZINC000903786087 614672361 /nfs/dbraw/zinc/67/23/61/614672361.db2.gz DDOBTQGBGXQNDF-SCRDCRAPSA-N 3 2 253.390 0.424 20 0 CCADLP CC1(C)CNC(=O)[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000924732615 614690212 /nfs/dbraw/zinc/69/02/12/614690212.db2.gz NVVGVOQCKGIJLG-NSHDSACASA-N 2 2 250.346 0.778 20 0 CCADLP CCC1([NH+]2CCC2)CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000886710614 614705424 /nfs/dbraw/zinc/70/54/24/614705424.db2.gz BYDOERWJJVKBKU-UHFFFAOYSA-N 2 2 294.399 0.489 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)c1cccc(C[NH3+])c1 ZINC000828608300 614719098 /nfs/dbraw/zinc/71/90/98/614719098.db2.gz COODACAHJFZJAG-UHFFFAOYSA-N 2 2 291.395 0.986 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)c1cccc(C[NH3+])c1 ZINC000828608300 614719100 /nfs/dbraw/zinc/71/91/00/614719100.db2.gz COODACAHJFZJAG-UHFFFAOYSA-N 2 2 291.395 0.986 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC000932759469 614851306 /nfs/dbraw/zinc/85/13/06/614851306.db2.gz TVWACTUKCOOQTN-GFCCVEGCSA-N 2 2 285.388 0.264 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC000932759469 614851309 /nfs/dbraw/zinc/85/13/09/614851309.db2.gz TVWACTUKCOOQTN-GFCCVEGCSA-N 2 2 285.388 0.264 20 0 CCADLP CC1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)OCCO1 ZINC000848537119 614902574 /nfs/dbraw/zinc/90/25/74/614902574.db2.gz ZYNOVTGCVFAILL-ZDUSSCGKSA-N 2 2 270.373 0.592 20 0 CCADLP CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000971819735 614909835 /nfs/dbraw/zinc/90/98/35/614909835.db2.gz YFTQKZBKLOJBGT-OCCSQVGLSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000971819735 614909838 /nfs/dbraw/zinc/90/98/38/614909838.db2.gz YFTQKZBKLOJBGT-OCCSQVGLSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000971819734 614912632 /nfs/dbraw/zinc/91/26/32/614912632.db2.gz YFTQKZBKLOJBGT-JSGCOSHPSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000971819734 614912634 /nfs/dbraw/zinc/91/26/34/614912634.db2.gz YFTQKZBKLOJBGT-JSGCOSHPSA-N 2 2 276.384 0.998 20 0 CCADLP CCN(CC)C(=O)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903817929 614966926 /nfs/dbraw/zinc/96/69/26/614966926.db2.gz PHOMQXPSGYFSIG-UHFFFAOYSA-N 2 2 283.416 0.699 20 0 CCADLP CCN(CC)C(=O)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903817929 614966928 /nfs/dbraw/zinc/96/69/28/614966928.db2.gz PHOMQXPSGYFSIG-UHFFFAOYSA-N 2 2 283.416 0.699 20 0 CCADLP CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000969992420 615094623 /nfs/dbraw/zinc/09/46/23/615094623.db2.gz MDRPSYGSFWYPPX-NWDGAFQWSA-N 2 2 276.384 0.902 20 0 CCADLP CC[NH2+]C[C@H]1C[C@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC000980764792 615100899 /nfs/dbraw/zinc/10/08/99/615100899.db2.gz ZASVJVVAZOSCMN-NWDGAFQWSA-N 2 2 264.373 0.809 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC[NH+]1CCSCC1 ZINC000849005846 615144916 /nfs/dbraw/zinc/14/49/16/615144916.db2.gz RQGJNPQBPSDZNI-ZDUSSCGKSA-N 3 2 299.488 0.633 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC[NH+]1CCSCC1 ZINC000849005846 615144917 /nfs/dbraw/zinc/14/49/17/615144917.db2.gz RQGJNPQBPSDZNI-ZDUSSCGKSA-N 3 2 299.488 0.633 20 0 CCADLP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925490852 615160338 /nfs/dbraw/zinc/16/03/38/615160338.db2.gz PDJYSOFXFUWODS-OAGGEKHMSA-N 3 2 282.476 0.990 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C)C[C@H]2CC(C)C)C1 ZINC000886592817 615169667 /nfs/dbraw/zinc/16/96/67/615169667.db2.gz BZOHLXXGQYQNDN-HUUCEWRRSA-N 2 2 297.443 0.896 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](C)C[C@H]2CC(C)C)C1 ZINC000886592817 615169668 /nfs/dbraw/zinc/16/96/68/615169668.db2.gz BZOHLXXGQYQNDN-HUUCEWRRSA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](C)C[C@H]2CC(C)C)C1 ZINC000886592817 615169669 /nfs/dbraw/zinc/16/96/69/615169669.db2.gz BZOHLXXGQYQNDN-HUUCEWRRSA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2CC(C)C)C1 ZINC000886592817 615169670 /nfs/dbraw/zinc/16/96/70/615169670.db2.gz BZOHLXXGQYQNDN-HUUCEWRRSA-N 2 2 297.443 0.896 20 0 CCADLP CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000972464756 615178079 /nfs/dbraw/zinc/17/80/79/615178079.db2.gz DWFCEFJXXORQKN-HNNXBMFYSA-N 2 2 292.383 0.515 20 0 CCADLP CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000972464756 615178082 /nfs/dbraw/zinc/17/80/82/615178082.db2.gz DWFCEFJXXORQKN-HNNXBMFYSA-N 2 2 292.383 0.515 20 0 CCADLP CC[N@@H+]1CC[C@@H](CNC(=O)CNc2cccc[nH+]2)C1 ZINC000900308051 615203821 /nfs/dbraw/zinc/20/38/21/615203821.db2.gz XGGWDAYNHSJDPU-LBPRGKRZSA-N 2 2 262.357 0.952 20 0 CCADLP CC[N@H+]1CC[C@@H](CNC(=O)CNc2cccc[nH+]2)C1 ZINC000900308051 615203822 /nfs/dbraw/zinc/20/38/22/615203822.db2.gz XGGWDAYNHSJDPU-LBPRGKRZSA-N 2 2 262.357 0.952 20 0 CCADLP CCOCC[N@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903903841 615249858 /nfs/dbraw/zinc/24/98/58/615249858.db2.gz XEOUTEUVFCXBEU-LBPRGKRZSA-N 2 2 267.377 0.671 20 0 CCADLP CCOCC[N@@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903903841 615249860 /nfs/dbraw/zinc/24/98/60/615249860.db2.gz XEOUTEUVFCXBEU-LBPRGKRZSA-N 2 2 267.377 0.671 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)c2cccc(C[NH3+])c2)CC1 ZINC000829199379 615254894 /nfs/dbraw/zinc/25/48/94/615254894.db2.gz NVCHTLVWCMYZJL-UHFFFAOYSA-N 2 2 291.395 0.940 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000944155759 615281332 /nfs/dbraw/zinc/28/13/32/615281332.db2.gz PZHXUMTWCFYQQM-YPMHNXCESA-N 2 2 264.373 0.809 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000944155759 615281333 /nfs/dbraw/zinc/28/13/33/615281333.db2.gz PZHXUMTWCFYQQM-YPMHNXCESA-N 2 2 264.373 0.809 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000882486942 615323116 /nfs/dbraw/zinc/32/31/16/615323116.db2.gz YQYUFQWAZZIUTP-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000882486942 615323118 /nfs/dbraw/zinc/32/31/18/615323118.db2.gz YQYUFQWAZZIUTP-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP CC[C@@H](C(=O)N1CC[NH2+][C@@H](C)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911812686 615372366 /nfs/dbraw/zinc/37/23/66/615372366.db2.gz UFDXSHBIJFATLQ-MJBXVCDLSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@@H](C(=O)N1CC[NH2+][C@@H](C)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000911812686 615372370 /nfs/dbraw/zinc/37/23/70/615372370.db2.gz UFDXSHBIJFATLQ-MJBXVCDLSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@@H](C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1)[NH+](C)C ZINC000913439444 615372765 /nfs/dbraw/zinc/37/27/65/615372765.db2.gz DHIVXLRIKSPXKH-RYUDHWBXSA-N 2 2 265.361 0.223 20 0 CCADLP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1)[NH+](C)C ZINC000969985370 615374791 /nfs/dbraw/zinc/37/47/91/615374791.db2.gz FMDVGLURQKBBJF-MNOVXSKESA-N 2 2 297.428 0.569 20 0 CCADLP CC[C@@H](C(=O)N1CC[C@H]([NH2+]C)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911656697 615376617 /nfs/dbraw/zinc/37/66/17/615376617.db2.gz POBRUASPSDIXBG-MJBXVCDLSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@@H](C(=O)N1CC[C@H]([NH2+]C)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000911656697 615376620 /nfs/dbraw/zinc/37/66/20/615376620.db2.gz POBRUASPSDIXBG-MJBXVCDLSA-N 2 2 283.416 0.696 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)C[C@@H]2CCC(=O)N2)C1 ZINC000925928964 615401540 /nfs/dbraw/zinc/40/15/40/615401540.db2.gz GUWVUGILNOXYKQ-QNWHQSFQSA-N 2 2 253.390 0.973 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)C[C@@H]2CCC(=O)N2)C1 ZINC000925928964 615401541 /nfs/dbraw/zinc/40/15/41/615401541.db2.gz GUWVUGILNOXYKQ-QNWHQSFQSA-N 2 2 253.390 0.973 20 0 CCADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900994732 615403788 /nfs/dbraw/zinc/40/37/88/615403788.db2.gz SHNXUJIQZACVHO-LBPRGKRZSA-N 2 2 268.361 0.425 20 0 CCADLP CCO[C@@H](C[NH2+]Cc1c[nH]c(C(=O)OC)c1)C[NH+](C)C ZINC000922757458 615410060 /nfs/dbraw/zinc/41/00/60/615410060.db2.gz GNYURZYAGGPSFY-LBPRGKRZSA-N 2 2 283.372 0.858 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)CC[NH2+]C(C)(C)C ZINC000830162787 615477302 /nfs/dbraw/zinc/47/73/02/615477302.db2.gz PCUNBKQZQQJJQD-ZDUSSCGKSA-N 2 2 285.432 0.992 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)CC1C[NH+](C)C1 ZINC000925604883 615477620 /nfs/dbraw/zinc/47/76/20/615477620.db2.gz BAGCXRCUUFOROI-AWEZNQCLSA-N 2 2 298.431 0.300 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000914392192 615478220 /nfs/dbraw/zinc/47/82/20/615478220.db2.gz VMSMGSXDLBFJGU-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000914392192 615478222 /nfs/dbraw/zinc/47/82/22/615478222.db2.gz VMSMGSXDLBFJGU-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CCO[C@H](CNC(=O)N[C@@H](C)Cn1cc[nH+]c1)C[NH+](C)C ZINC000914196269 615482117 /nfs/dbraw/zinc/48/21/17/615482117.db2.gz MLFDVBWZBTZBDT-QWHCGFSZSA-N 2 2 297.403 0.538 20 0 CCADLP CCO[C@H](C[NH2+]C[C@@H](O)c1ccccn1)C[NH+](C)C ZINC000905575591 615483787 /nfs/dbraw/zinc/48/37/87/615483787.db2.gz IPHREJYIVYAVSY-TZMCWYRMSA-N 2 2 267.373 0.671 20 0 CCADLP CC[C@@H](CO)[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000931687274 615487943 /nfs/dbraw/zinc/48/79/43/615487943.db2.gz VCAXODCSINSQDR-ZDUSSCGKSA-N 2 2 283.416 0.563 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000877434829 615566837 /nfs/dbraw/zinc/56/68/37/615566837.db2.gz VHRNNVWUPHNZQZ-CHWSQXEVSA-N 2 2 267.373 0.261 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000877434829 615566838 /nfs/dbraw/zinc/56/68/38/615566838.db2.gz VHRNNVWUPHNZQZ-CHWSQXEVSA-N 2 2 267.373 0.261 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000874702943 615568211 /nfs/dbraw/zinc/56/82/11/615568211.db2.gz PZYMOXCOEJDOAA-ZIAGYGMSSA-N 2 2 285.432 0.800 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000874702943 615568212 /nfs/dbraw/zinc/56/82/12/615568212.db2.gz PZYMOXCOEJDOAA-ZIAGYGMSSA-N 2 2 285.432 0.800 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000877435154 615579617 /nfs/dbraw/zinc/57/96/17/615579617.db2.gz XYXAFSMQVKXTOT-MCIONIFRSA-N 2 2 283.416 0.602 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000877435154 615579618 /nfs/dbraw/zinc/57/96/18/615579618.db2.gz XYXAFSMQVKXTOT-MCIONIFRSA-N 2 2 283.416 0.602 20 0 CCADLP CCn1c[nH+]c2c1CCN([C@H]1C[C@H]([NH3+])C[C@@H]1O)C2 ZINC000923558713 615630176 /nfs/dbraw/zinc/63/01/76/615630176.db2.gz UEQAQAZBMBVSAE-XDTLVQLUSA-N 2 2 250.346 0.112 20 0 CCADLP CCc1cc(N2CCC([NH3+])(CO)CC2)nc(CC)[nH+]1 ZINC000892531013 615651967 /nfs/dbraw/zinc/65/19/67/615651967.db2.gz GBWODBXPLSYHBX-UHFFFAOYSA-N 2 2 264.373 0.891 20 0 CCADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000905123429 615711700 /nfs/dbraw/zinc/71/17/00/615711700.db2.gz XWMOKEOAHMHQCV-ZIAGYGMSSA-N 2 2 286.416 0.353 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)CCCC[NH+](C)C ZINC000928642543 615715091 /nfs/dbraw/zinc/71/50/91/615715091.db2.gz WPLKSXURZXUBDX-CQSZACIVSA-N 2 2 285.432 0.945 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000928640091 615718757 /nfs/dbraw/zinc/71/87/57/615718757.db2.gz JUJPNTJHSBGCOK-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000928640091 615718758 /nfs/dbraw/zinc/71/87/58/615718758.db2.gz JUJPNTJHSBGCOK-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP C[NH+](C)C1(CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000922076435 615850187 /nfs/dbraw/zinc/85/01/87/615850187.db2.gz GUIZVZADCHFLBQ-NSHDSACASA-N 2 2 277.372 0.591 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](CCCC2CC2)CC1 ZINC000877959263 615863906 /nfs/dbraw/zinc/86/39/06/615863906.db2.gz TUNKTIQTSARBRD-UHFFFAOYSA-N 2 2 253.390 0.882 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1=CCCCO1 ZINC000855414946 615878384 /nfs/dbraw/zinc/87/83/84/615878384.db2.gz NMVDSMFGWXKZAL-UHFFFAOYSA-N 2 2 269.389 0.680 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1=CCCCO1 ZINC000855414946 615878386 /nfs/dbraw/zinc/87/83/86/615878386.db2.gz NMVDSMFGWXKZAL-UHFFFAOYSA-N 2 2 269.389 0.680 20 0 CCADLP Cn1cc(/C=C/C(=O)NCC[N@H+](C)CCC[NH+](C)C)cn1 ZINC000855415946 615878908 /nfs/dbraw/zinc/87/89/08/615878908.db2.gz CKHFBKXYIOYYGM-VOTSOKGWSA-N 2 2 293.415 0.433 20 0 CCADLP Cn1cc(/C=C/C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000855415946 615878909 /nfs/dbraw/zinc/87/89/09/615878909.db2.gz CKHFBKXYIOYYGM-VOTSOKGWSA-N 2 2 293.415 0.433 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H](O)c1ccccc1 ZINC000855414343 615879507 /nfs/dbraw/zinc/87/95/07/615879507.db2.gz BTLVLJVANOCJEN-HNNXBMFYSA-N 2 2 293.411 0.720 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H](O)c1ccccc1 ZINC000855414343 615879508 /nfs/dbraw/zinc/87/95/08/615879508.db2.gz BTLVLJVANOCJEN-HNNXBMFYSA-N 2 2 293.411 0.720 20 0 CCADLP Cn1nc2c(c1C[NH2+]CCC[NH+](C)C)COCC2 ZINC000921473921 615883849 /nfs/dbraw/zinc/88/38/49/615883849.db2.gz HQVWYSRPMDROGC-UHFFFAOYSA-N 2 2 252.362 0.534 20 0 CCADLP CN(CCC[N@H+](C)[C@H]1CCOC1=O)CC[NH+](C)C ZINC000808781277 615893260 /nfs/dbraw/zinc/89/32/60/615893260.db2.gz CZNCICXGCIMVAE-LBPRGKRZSA-N 2 2 257.378 0.117 20 0 CCADLP CN(CCC[N@@H+](C)[C@H]1CCOC1=O)CC[NH+](C)C ZINC000808781277 615893261 /nfs/dbraw/zinc/89/32/61/615893261.db2.gz CZNCICXGCIMVAE-LBPRGKRZSA-N 2 2 257.378 0.117 20 0 CCADLP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CCn3c[nH+]cc32)cn1 ZINC000912584785 615915769 /nfs/dbraw/zinc/91/57/69/615915769.db2.gz TWGGSRHEDHBWBD-GFCCVEGCSA-N 2 2 288.355 0.516 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C[NH+](C)C(C)C ZINC000874702969 615923093 /nfs/dbraw/zinc/92/30/93/615923093.db2.gz LQESBBRAUSYKHI-ZDUSSCGKSA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C[NH+](C)C(C)C ZINC000874702969 615923095 /nfs/dbraw/zinc/92/30/95/615923095.db2.gz LQESBBRAUSYKHI-ZDUSSCGKSA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@H]1COCC[NH+]1CCNC(=O)C[N@H+](C)C(C)C ZINC000874702969 615923097 /nfs/dbraw/zinc/92/30/97/615923097.db2.gz LQESBBRAUSYKHI-ZDUSSCGKSA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@H]1COCC[NH+]1CCNC(=O)C[N@@H+](C)C(C)C ZINC000874702969 615923099 /nfs/dbraw/zinc/92/30/99/615923099.db2.gz LQESBBRAUSYKHI-ZDUSSCGKSA-N 2 2 271.405 0.554 20 0 CCADLP Cn1nc2c(c1C[NH2+]C[C@](C)(O)C[NH+](C)C)CSCC2 ZINC000883075245 615936316 /nfs/dbraw/zinc/93/63/16/615936316.db2.gz WBPBFZAXVCDVDI-AWEZNQCLSA-N 2 2 298.456 0.612 20 0 CCADLP CN1CCOC[C@H]1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000858278433 615958014 /nfs/dbraw/zinc/95/80/14/615958014.db2.gz YXOIDJBSICHNRS-LLVKDONJSA-N 2 2 284.429 0.625 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+]1C)c1ccco1 ZINC000913868993 615974045 /nfs/dbraw/zinc/97/40/45/615974045.db2.gz APIWOIPZOLQGMN-RYUDHWBXSA-N 2 2 280.372 0.886 20 0 CCADLP C[NH+](C)[C@]1(C[NH2+][C@@H]2CCO[C@@]23CCOC3)CCSC1 ZINC000903104888 615999310 /nfs/dbraw/zinc/99/93/10/615999310.db2.gz NFTGJLOORBXBPS-HZSPNIEDSA-N 2 2 286.441 0.961 20 0 CCADLP CN(C)c1cc[nH+]c(NC(=O)C2C[NH+]([C@H]3CCOC3)C2)c1 ZINC000897368208 616028926 /nfs/dbraw/zinc/02/89/26/616028926.db2.gz LPUXLVQLDHGFOS-ZDUSSCGKSA-N 2 2 290.367 0.807 20 0 CCADLP CN(C)c1cc[nH+]c(NCC[N@@H+]2CC[C@@H](O)C2)n1 ZINC000858812492 616029727 /nfs/dbraw/zinc/02/97/27/616029727.db2.gz PWDXLAKHHZQFLO-SNVBAGLBSA-N 2 2 251.334 0.021 20 0 CCADLP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000911865506 616051031 /nfs/dbraw/zinc/05/10/31/616051031.db2.gz RTCDPICMWRUZPE-LLVKDONJSA-N 2 2 264.373 0.889 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)C12CC[NH+](CC1)C2 ZINC000901119576 616076322 /nfs/dbraw/zinc/07/63/22/616076322.db2.gz SUAPXXXBSAQEOE-UHFFFAOYSA-N 2 2 262.357 0.827 20 0 CCADLP C[N@H+](CCF)[C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000971811660 616081594 /nfs/dbraw/zinc/08/15/94/616081594.db2.gz SPLGTIBCMSZUNK-STQMWFEESA-N 2 2 294.374 0.948 20 0 CCADLP C[N@@H+](CCF)[C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000971811660 616081595 /nfs/dbraw/zinc/08/15/95/616081595.db2.gz SPLGTIBCMSZUNK-STQMWFEESA-N 2 2 294.374 0.948 20 0 CCADLP CN(CC[NH2+]C1CC[NH+](C2CC2)CC1)CCOCCO ZINC000883352342 616095963 /nfs/dbraw/zinc/09/59/63/616095963.db2.gz ZEIWKIIKRMFHHJ-UHFFFAOYSA-N 2 2 285.432 0.144 20 0 CCADLP C[N@@H+](Cc1ncc[nH]1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903777759 616105961 /nfs/dbraw/zinc/10/59/61/616105961.db2.gz DNFHZUSFYPCUSU-DGCLKSJQSA-N 2 2 250.346 0.610 20 0 CCADLP C[N@H+](Cc1ncc[nH]1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903777759 616105962 /nfs/dbraw/zinc/10/59/62/616105962.db2.gz DNFHZUSFYPCUSU-DGCLKSJQSA-N 2 2 250.346 0.610 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H]1COC(C)(C)O1)C1CC1 ZINC000819154794 616131955 /nfs/dbraw/zinc/13/19/55/616131955.db2.gz MENRIIFTLWHEBI-RYUDHWBXSA-N 2 2 258.362 0.183 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@H]1COC(C)(C)O1)C1CC1 ZINC000819154794 616131954 /nfs/dbraw/zinc/13/19/54/616131954.db2.gz MENRIIFTLWHEBI-RYUDHWBXSA-N 2 2 258.362 0.183 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1C[C@H](O)CC(C)(C)C1)C1CC1 ZINC000879624705 616149379 /nfs/dbraw/zinc/14/93/79/616149379.db2.gz ZNXFGSVJXWHRBQ-OLZOCXBDSA-N 2 2 256.390 0.534 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1C[C@H](O)CC(C)(C)C1)C1CC1 ZINC000879624705 616149380 /nfs/dbraw/zinc/14/93/80/616149380.db2.gz ZNXFGSVJXWHRBQ-OLZOCXBDSA-N 2 2 256.390 0.534 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1C[C@H](O)CC(C)(C)C1)C1CC1 ZINC000879624705 616149382 /nfs/dbraw/zinc/14/93/82/616149382.db2.gz ZNXFGSVJXWHRBQ-OLZOCXBDSA-N 2 2 256.390 0.534 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1C[C@H](O)CC(C)(C)C1)C1CC1 ZINC000879624705 616149383 /nfs/dbraw/zinc/14/93/83/616149383.db2.gz ZNXFGSVJXWHRBQ-OLZOCXBDSA-N 2 2 256.390 0.534 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]C[C@@H](O)Cc1ccc(F)cc1)C1CC1 ZINC000905476405 616149483 /nfs/dbraw/zinc/14/94/83/616149483.db2.gz ZMVUHIRTBBYCHT-JKSUJKDBSA-N 2 2 296.386 0.774 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H](O)Cc1ccc(F)cc1)C1CC1 ZINC000905476405 616149484 /nfs/dbraw/zinc/14/94/84/616149484.db2.gz ZMVUHIRTBBYCHT-JKSUJKDBSA-N 2 2 296.386 0.774 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1COC(C)(C)O1)C1CC1 ZINC000819154792 616149784 /nfs/dbraw/zinc/14/97/84/616149784.db2.gz MENRIIFTLWHEBI-NEPJUHHUSA-N 2 2 258.362 0.183 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1COC(C)(C)O1)C1CC1 ZINC000819154792 616149786 /nfs/dbraw/zinc/14/97/86/616149786.db2.gz MENRIIFTLWHEBI-NEPJUHHUSA-N 2 2 258.362 0.183 20 0 CCADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000898896198 616184854 /nfs/dbraw/zinc/18/48/54/616184854.db2.gz SKUPCFFXJDZNIR-STQMWFEESA-N 2 2 294.399 0.834 20 0 CCADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000898896198 616184855 /nfs/dbraw/zinc/18/48/55/616184855.db2.gz SKUPCFFXJDZNIR-STQMWFEESA-N 2 2 294.399 0.834 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ncccn2)C1 ZINC000967924073 616192225 /nfs/dbraw/zinc/19/22/25/616192225.db2.gz FOPDGWLDOUGKEU-CHWSQXEVSA-N 2 2 289.383 0.261 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ncccn2)C1 ZINC000967924073 616192226 /nfs/dbraw/zinc/19/22/26/616192226.db2.gz FOPDGWLDOUGKEU-CHWSQXEVSA-N 2 2 289.383 0.261 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000928072706 616193795 /nfs/dbraw/zinc/19/37/95/616193795.db2.gz GWOMNCYJNJRVKE-JHJVBQTASA-N 2 2 283.441 0.777 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000928072706 616193796 /nfs/dbraw/zinc/19/37/96/616193796.db2.gz GWOMNCYJNJRVKE-JHJVBQTASA-N 2 2 283.441 0.777 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928072706 616193797 /nfs/dbraw/zinc/19/37/97/616193797.db2.gz GWOMNCYJNJRVKE-JHJVBQTASA-N 2 2 283.441 0.777 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928072706 616193798 /nfs/dbraw/zinc/19/37/98/616193798.db2.gz GWOMNCYJNJRVKE-JHJVBQTASA-N 2 2 283.441 0.777 20 0 CCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H](O)c3c[nH+]c[nH]3)CC[C@@H]21 ZINC000866708830 616197776 /nfs/dbraw/zinc/19/77/76/616197776.db2.gz HOLSVBRIACUPLR-KGYLQXTDSA-N 2 2 278.356 0.386 20 0 CCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H](O)c3c[nH+]c[nH]3)CC[C@@H]21 ZINC000866708830 616197777 /nfs/dbraw/zinc/19/77/77/616197777.db2.gz HOLSVBRIACUPLR-KGYLQXTDSA-N 2 2 278.356 0.386 20 0 CCADLP C[N@@H+]1CCC[C@H](NC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000865184230 616206698 /nfs/dbraw/zinc/20/66/98/616206698.db2.gz PSTFMDZUNNCPSX-LQPUYASZSA-N 2 2 267.373 0.085 20 0 CCADLP C[N@H+]1CCC[C@H](NC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000865184230 616206699 /nfs/dbraw/zinc/20/66/99/616206699.db2.gz PSTFMDZUNNCPSX-LQPUYASZSA-N 2 2 267.373 0.085 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cn3ccnc3s2)CC1 ZINC000892714440 616223456 /nfs/dbraw/zinc/22/34/56/616223456.db2.gz NVQDVQQYSCKCTB-UHFFFAOYSA-N 2 2 293.396 0.259 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)CC1 ZINC000902777216 616223734 /nfs/dbraw/zinc/22/37/34/616223734.db2.gz UICJBJIKXAOTCQ-BTTYYORXSA-N 2 2 265.401 0.929 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1CNc1nccn2c[nH+]cc12 ZINC000892467419 616239071 /nfs/dbraw/zinc/23/90/71/616239071.db2.gz ICAVSQNKNYSUAW-LLVKDONJSA-N 2 2 260.345 0.387 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1CNc1nccn2c[nH+]cc12 ZINC000892467419 616239072 /nfs/dbraw/zinc/23/90/72/616239072.db2.gz ICAVSQNKNYSUAW-LLVKDONJSA-N 2 2 260.345 0.387 20 0 CCADLP C[NH+]1CCN(CCCNC(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000040808801 616241029 /nfs/dbraw/zinc/24/10/29/616241029.db2.gz DQNMVNQNTUGUGK-OAHLLOKOSA-N 2 2 290.411 0.440 20 0 CCADLP CN1CC[NH+](CCCNC(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000040808801 616241030 /nfs/dbraw/zinc/24/10/30/616241030.db2.gz DQNMVNQNTUGUGK-OAHLLOKOSA-N 2 2 290.411 0.440 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@@H]21 ZINC000827321107 616314180 /nfs/dbraw/zinc/31/41/80/616314180.db2.gz UJPXFIQLEJORAJ-OLZOCXBDSA-N 2 2 262.357 0.826 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@@H]21 ZINC000827321107 616314186 /nfs/dbraw/zinc/31/41/86/616314186.db2.gz UJPXFIQLEJORAJ-OLZOCXBDSA-N 2 2 262.357 0.826 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@@H]2C1 ZINC000844144035 616326778 /nfs/dbraw/zinc/32/67/78/616326778.db2.gz POWBGUWESQAEKW-RDBSUJKOSA-N 2 2 288.395 0.856 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@@H]2C1 ZINC000844144035 616326784 /nfs/dbraw/zinc/32/67/84/616326784.db2.gz POWBGUWESQAEKW-RDBSUJKOSA-N 2 2 288.395 0.856 20 0 CCADLP C[N@@H+]1CC[C@@H]2C[NH+](CCN3C(=O)CCC3=O)CC[C@H]21 ZINC000879570813 616335082 /nfs/dbraw/zinc/33/50/82/616335082.db2.gz IWARQVGFRSMRTB-VXGBXAGGSA-N 2 2 265.357 0.161 20 0 CCADLP C[N@H+]1CC[C@@H]2C[NH+](CCN3C(=O)CCC3=O)CC[C@H]21 ZINC000879570813 616335085 /nfs/dbraw/zinc/33/50/85/616335085.db2.gz IWARQVGFRSMRTB-VXGBXAGGSA-N 2 2 265.357 0.161 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)CC[C@H]21 ZINC000879570813 616335091 /nfs/dbraw/zinc/33/50/91/616335091.db2.gz IWARQVGFRSMRTB-VXGBXAGGSA-N 2 2 265.357 0.161 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)CC[C@H]21 ZINC000879570813 616335097 /nfs/dbraw/zinc/33/50/97/616335097.db2.gz IWARQVGFRSMRTB-VXGBXAGGSA-N 2 2 265.357 0.161 20 0 CCADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2CC3(COC3)CC2=O)C1 ZINC000872592598 616343638 /nfs/dbraw/zinc/34/36/38/616343638.db2.gz OVXBNFWMIMXJKS-ZIAGYGMSSA-N 2 2 293.411 0.609 20 0 CCADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2CC3(COC3)CC2=O)C1 ZINC000872592598 616343642 /nfs/dbraw/zinc/34/36/42/616343642.db2.gz OVXBNFWMIMXJKS-ZIAGYGMSSA-N 2 2 293.411 0.609 20 0 CCADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2CN2CC3(COC3)CC2=O)C1 ZINC000872592598 616343646 /nfs/dbraw/zinc/34/36/46/616343646.db2.gz OVXBNFWMIMXJKS-ZIAGYGMSSA-N 2 2 293.411 0.609 20 0 CCADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2CN2CC3(COC3)CC2=O)C1 ZINC000872592598 616343651 /nfs/dbraw/zinc/34/36/51/616343651.db2.gz OVXBNFWMIMXJKS-ZIAGYGMSSA-N 2 2 293.411 0.609 20 0 CCADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2CCOC2=S)C1 ZINC000129268453 616343936 /nfs/dbraw/zinc/34/39/36/616343936.db2.gz NTMYPSCSASJIND-VXGBXAGGSA-N 2 2 269.414 0.977 20 0 CCADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2CCOC2=S)C1 ZINC000129268453 616343938 /nfs/dbraw/zinc/34/39/38/616343938.db2.gz NTMYPSCSASJIND-VXGBXAGGSA-N 2 2 269.414 0.977 20 0 CCADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2CN2CCOC2=S)C1 ZINC000129268453 616343943 /nfs/dbraw/zinc/34/39/43/616343943.db2.gz NTMYPSCSASJIND-VXGBXAGGSA-N 2 2 269.414 0.977 20 0 CCADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2CN2CCOC2=S)C1 ZINC000129268453 616343946 /nfs/dbraw/zinc/34/39/46/616343946.db2.gz NTMYPSCSASJIND-VXGBXAGGSA-N 2 2 269.414 0.977 20 0 CCADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CN2CCOC2=O)C1 ZINC000902196726 616344064 /nfs/dbraw/zinc/34/40/64/616344064.db2.gz RNVBHBMXZZOALG-NWDGAFQWSA-N 2 2 253.346 0.812 20 0 CCADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CN2CCOC2=O)C1 ZINC000902196726 616344070 /nfs/dbraw/zinc/34/40/70/616344070.db2.gz RNVBHBMXZZOALG-NWDGAFQWSA-N 2 2 253.346 0.812 20 0 CCADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2CN2CCOC2=O)C1 ZINC000902196726 616344077 /nfs/dbraw/zinc/34/40/77/616344077.db2.gz RNVBHBMXZZOALG-NWDGAFQWSA-N 2 2 253.346 0.812 20 0 CCADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2CN2CCOC2=O)C1 ZINC000902196726 616344080 /nfs/dbraw/zinc/34/40/80/616344080.db2.gz RNVBHBMXZZOALG-NWDGAFQWSA-N 2 2 253.346 0.812 20 0 CCADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000912613981 616344193 /nfs/dbraw/zinc/34/41/93/616344193.db2.gz GCWKCBZPGQPVRL-SMDDNHRTSA-N 2 2 280.372 0.190 20 0 CCADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000912613981 616344200 /nfs/dbraw/zinc/34/42/00/616344200.db2.gz GCWKCBZPGQPVRL-SMDDNHRTSA-N 2 2 280.372 0.190 20 0 CCADLP C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000935400922 616349398 /nfs/dbraw/zinc/34/93/98/616349398.db2.gz WPWUWADVTDARDN-CQSZACIVSA-N 2 2 274.324 0.359 20 0 CCADLP C[N@H+]1CC[C@@](O)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000935400922 616349402 /nfs/dbraw/zinc/34/94/02/616349402.db2.gz WPWUWADVTDARDN-CQSZACIVSA-N 2 2 274.324 0.359 20 0 CCADLP Cn1c(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cnc1Cl ZINC000848548214 616350668 /nfs/dbraw/zinc/35/06/68/616350668.db2.gz YHKITTRLXLDRFU-LLVKDONJSA-N 2 2 258.753 0.230 20 0 CCADLP Cn1c(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cnc1Cl ZINC000848548214 616350672 /nfs/dbraw/zinc/35/06/72/616350672.db2.gz YHKITTRLXLDRFU-LLVKDONJSA-N 2 2 258.753 0.230 20 0 CCADLP C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000913535701 616368409 /nfs/dbraw/zinc/36/84/09/616368409.db2.gz SRLLCGFNOXKBIV-RWMBFGLXSA-N 2 2 274.368 0.751 20 0 CCADLP C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000913535701 616368412 /nfs/dbraw/zinc/36/84/12/616368412.db2.gz SRLLCGFNOXKBIV-RWMBFGLXSA-N 2 2 274.368 0.751 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000886641876 616369188 /nfs/dbraw/zinc/36/91/88/616369188.db2.gz UUBVOMJWVRPOID-AGIUHOORSA-N 2 2 297.399 0.258 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000886641876 616369190 /nfs/dbraw/zinc/36/91/90/616369190.db2.gz UUBVOMJWVRPOID-AGIUHOORSA-N 2 2 297.399 0.258 20 0 CCADLP COC/C(C)=C\C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000929513167 616387702 /nfs/dbraw/zinc/38/77/02/616387702.db2.gz QEQBZHCJMUNCKG-WCSRMQSCSA-N 2 2 295.427 0.819 20 0 CCADLP CN1CC[C@H]([N@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)C1=O ZINC000903506893 616408160 /nfs/dbraw/zinc/40/81/60/616408160.db2.gz DZIKRLSQVJVTAC-ZNMIVQPWSA-N 2 2 292.427 0.118 20 0 CCADLP CN1CC[C@H]([N@@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)C1=O ZINC000903506893 616408162 /nfs/dbraw/zinc/40/81/62/616408162.db2.gz DZIKRLSQVJVTAC-ZNMIVQPWSA-N 2 2 292.427 0.118 20 0 CCADLP COC(=O)CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000906655157 616470728 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20 0 CCADLP COC1(OC)CC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000926719953 616483072 /nfs/dbraw/zinc/48/30/72/616483072.db2.gz ZNTGRTIARGMGFK-KBPBESRZSA-N 2 2 284.400 0.981 20 0 CCADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000900753984 616497730 /nfs/dbraw/zinc/49/77/30/616497730.db2.gz HAZWVQAZVGDEJN-IUODEOHRSA-N 2 2 292.383 0.455 20 0 CCADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000900753984 616497733 /nfs/dbraw/zinc/49/77/33/616497733.db2.gz HAZWVQAZVGDEJN-IUODEOHRSA-N 2 2 292.383 0.455 20 0 CCADLP COCC[NH2+]C1CC[NH+](CCO[C@H]2CCOC2)CC1 ZINC000923390284 616506627 /nfs/dbraw/zinc/50/66/27/616506627.db2.gz WKDOPOGNDGEHJX-AWEZNQCLSA-N 2 2 272.389 0.492 20 0 CCADLP COCC[NH2+]CCNC(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000841154192 616510209 /nfs/dbraw/zinc/51/02/09/616510209.db2.gz CWPALCOUELWHBH-UHFFFAOYSA-N 2 2 295.387 0.814 20 0 CCADLP COCCOC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000884966709 616513662 /nfs/dbraw/zinc/51/36/62/616513662.db2.gz QWVFQTVFHABXJY-UHFFFAOYSA-N 2 2 287.404 0.727 20 0 CCADLP COCCOC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000884966709 616513665 /nfs/dbraw/zinc/51/36/65/616513665.db2.gz QWVFQTVFHABXJY-UHFFFAOYSA-N 2 2 287.404 0.727 20 0 CCADLP COC(=O)[C@@H]1[C@H](C[NH2+]C(C)(C)C[NH+](C)C)C1(F)F ZINC000894969312 616514161 /nfs/dbraw/zinc/51/41/61/616514161.db2.gz KDAJJLRBISEKAN-IUCAKERBSA-N 2 2 264.316 0.971 20 0 CCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000877247003 616516940 /nfs/dbraw/zinc/51/69/40/616516940.db2.gz BWFGZCUXVRHAFF-ILXRZTDVSA-N 2 2 289.379 0.653 20 0 CCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000877247003 616516942 /nfs/dbraw/zinc/51/69/42/616516942.db2.gz BWFGZCUXVRHAFF-ILXRZTDVSA-N 2 2 289.379 0.653 20 0 CCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000892616585 616517049 /nfs/dbraw/zinc/51/70/49/616517049.db2.gz WWRFONGCILCXKQ-OCCSQVGLSA-N 2 2 274.368 0.916 20 0 CCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000892616585 616517053 /nfs/dbraw/zinc/51/70/53/616517053.db2.gz WWRFONGCILCXKQ-OCCSQVGLSA-N 2 2 274.368 0.916 20 0 CCADLP COCCS(=O)(=O)CCC[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000843383309 616604295 /nfs/dbraw/zinc/60/42/95/616604295.db2.gz FBKRBNDIGWBKAC-ZDUSSCGKSA-N 2 2 292.445 0.641 20 0 CCADLP COCCS(=O)(=O)CCC[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000843383309 616604300 /nfs/dbraw/zinc/60/43/00/616604300.db2.gz FBKRBNDIGWBKAC-ZDUSSCGKSA-N 2 2 292.445 0.641 20 0 CCADLP COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000897443839 616613408 /nfs/dbraw/zinc/61/34/08/616613408.db2.gz MCXJDCRQVQFUTB-RYUDHWBXSA-N 2 2 294.355 0.025 20 0 CCADLP COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000897443839 616613409 /nfs/dbraw/zinc/61/34/09/616613409.db2.gz MCXJDCRQVQFUTB-RYUDHWBXSA-N 2 2 294.355 0.025 20 0 CCADLP CO[C@@H]1CC[C@H]1[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CC[C@H]1OC ZINC000934115413 616694892 /nfs/dbraw/zinc/69/48/92/616694892.db2.gz GZNJOYUYQIEBOS-XLWJZTARSA-N 2 2 286.416 0.566 20 0 CCADLP CO[C@@H]1CC[C@H]1[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CC[C@H]1OC ZINC000934115413 616694896 /nfs/dbraw/zinc/69/48/96/616694896.db2.gz GZNJOYUYQIEBOS-XLWJZTARSA-N 2 2 286.416 0.566 20 0 CCADLP CO[C@@H]1CC[C@H]1[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CC[C@H]1OC ZINC000934115413 616694900 /nfs/dbraw/zinc/69/49/00/616694900.db2.gz GZNJOYUYQIEBOS-XLWJZTARSA-N 2 2 286.416 0.566 20 0 CCADLP CO[C@@H]1CC[C@H]1[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CC[C@H]1OC ZINC000934115413 616694902 /nfs/dbraw/zinc/69/49/02/616694902.db2.gz GZNJOYUYQIEBOS-XLWJZTARSA-N 2 2 286.416 0.566 20 0 CCADLP COC[C@H](O)C[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000905549784 616745441 /nfs/dbraw/zinc/74/54/41/616745441.db2.gz GPNUQNSKXRMOLF-ZIAGYGMSSA-N 2 2 267.373 0.671 20 0 CCADLP COC(=O)[C@](C)(Cn1cccn1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000903862745 616750246 /nfs/dbraw/zinc/75/02/46/616750246.db2.gz DMZJCHWHTZWULP-JSGCOSHPSA-N 2 2 280.372 0.404 20 0 CCADLP COC(=O)[C@](C)(Cn1cccn1)[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000904477423 616751110 /nfs/dbraw/zinc/75/11/10/616751110.db2.gz WFYXLEFMDTVRHE-GUTXKFCHSA-N 2 2 294.399 0.793 20 0 CCADLP COCC1([N@H+](C)C[C@H](O)C[NH+]2CCCC2)CCC1 ZINC000880186702 616782289 /nfs/dbraw/zinc/78/22/89/616782289.db2.gz MEIBLPSPVLBHLD-ZDUSSCGKSA-N 2 2 256.390 0.944 20 0 CCADLP COCC1([N@@H+](C)C[C@H](O)C[NH+]2CCCC2)CCC1 ZINC000880186702 616782293 /nfs/dbraw/zinc/78/22/93/616782293.db2.gz MEIBLPSPVLBHLD-ZDUSSCGKSA-N 2 2 256.390 0.944 20 0 CCADLP CNC(=O)c1ccc(C[N@H+](C)C2(C[NH3+])CCOCC2)cc1 ZINC000903808755 616906941 /nfs/dbraw/zinc/90/69/41/616906941.db2.gz SULGBZWLJRDBMY-UHFFFAOYSA-N 2 2 291.395 0.986 20 0 CCADLP CNC(=O)c1ccc(C[N@@H+](C)C2(C[NH3+])CCOCC2)cc1 ZINC000903808755 616906947 /nfs/dbraw/zinc/90/69/47/616906947.db2.gz SULGBZWLJRDBMY-UHFFFAOYSA-N 2 2 291.395 0.986 20 0 CCADLP C[NH2+]CCN(C)C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000876791986 616955678 /nfs/dbraw/zinc/95/56/78/616955678.db2.gz LDKRKROBTDMKIF-UHFFFAOYSA-N 2 2 274.324 0.869 20 0 CCADLP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000911863222 616983201 /nfs/dbraw/zinc/98/32/01/616983201.db2.gz BHKKKDLWBRBSTJ-PWSUYJOCSA-N 2 2 250.346 0.799 20 0 CCADLP C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000911863222 616983207 /nfs/dbraw/zinc/98/32/07/616983207.db2.gz BHKKKDLWBRBSTJ-PWSUYJOCSA-N 2 2 250.346 0.799 20 0 CCADLP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000911863221 616983432 /nfs/dbraw/zinc/98/34/32/616983432.db2.gz BHKKKDLWBRBSTJ-JQWIXIFHSA-N 2 2 250.346 0.799 20 0 CCADLP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000911863221 616983435 /nfs/dbraw/zinc/98/34/35/616983435.db2.gz BHKKKDLWBRBSTJ-JQWIXIFHSA-N 2 2 250.346 0.799 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903717179 616984075 /nfs/dbraw/zinc/98/40/75/616984075.db2.gz JDWOGHXLBLZXEB-IHRRRGAJSA-N 3 2 253.390 0.439 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903717179 616984077 /nfs/dbraw/zinc/98/40/77/616984077.db2.gz JDWOGHXLBLZXEB-IHRRRGAJSA-N 3 2 253.390 0.439 20 0 CCADLP C[NH2+]C[C@H](O)C[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000843080487 616993405 /nfs/dbraw/zinc/99/34/05/616993405.db2.gz IMNDOEXDPCOVDB-KWQFWETISA-N 2 2 260.284 0.168 20 0 CCADLP COCC[N@H+](CCC(=O)OC)CCc1c[nH+]cn1C ZINC000838846221 616999998 /nfs/dbraw/zinc/99/99/98/616999998.db2.gz GTIQAEKPNTVMAK-UHFFFAOYSA-N 2 2 269.345 0.474 20 0 CCADLP COCC[N@@H+](CCC(=O)OC)CCc1c[nH+]cn1C ZINC000838846221 616999999 /nfs/dbraw/zinc/99/99/99/616999999.db2.gz GTIQAEKPNTVMAK-UHFFFAOYSA-N 2 2 269.345 0.474 20 0 CCADLP CON(C)C(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000846838072 617023660 /nfs/dbraw/zinc/02/36/60/617023660.db2.gz KQUQALYUJBHFSA-JTQLQIEISA-N 2 2 252.318 0.229 20 0 CCADLP CON(C)C(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000846838072 617023664 /nfs/dbraw/zinc/02/36/64/617023664.db2.gz KQUQALYUJBHFSA-JTQLQIEISA-N 2 2 252.318 0.229 20 0 CCADLP COCC[N@@H+](Cc1cnon1)CC1CC[NH+](C)CC1 ZINC000879125395 617030090 /nfs/dbraw/zinc/03/00/90/617030090.db2.gz BGEFRERVVQIIDS-UHFFFAOYSA-N 2 2 268.361 0.860 20 0 CCADLP COCC[N@H+](Cc1cnon1)CC1CC[NH+](C)CC1 ZINC000879125395 617030094 /nfs/dbraw/zinc/03/00/94/617030094.db2.gz BGEFRERVVQIIDS-UHFFFAOYSA-N 2 2 268.361 0.860 20 0 CCADLP CON(C)C(=O)[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858323357 617055174 /nfs/dbraw/zinc/05/51/74/617055174.db2.gz IFGYSQYBLNNNSC-GHMZBOCLSA-N 2 2 257.378 0.857 20 0 CCADLP CON(C)C(=O)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858323357 617055178 /nfs/dbraw/zinc/05/51/78/617055178.db2.gz IFGYSQYBLNNNSC-GHMZBOCLSA-N 2 2 257.378 0.857 20 0 CCADLP CON(C)C(=O)[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000858583056 617068393 /nfs/dbraw/zinc/06/83/93/617068393.db2.gz WDBPYMQQIZRQBM-NSHDSACASA-N 2 2 257.378 0.857 20 0 CCADLP CON1CC[C@@H]([N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000930557311 617094077 /nfs/dbraw/zinc/09/40/77/617094077.db2.gz DNXCFVXBNRVRCN-YPMHNXCESA-N 2 2 253.346 0.176 20 0 CCADLP CON1CC[C@@H]([N@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000930557311 617094078 /nfs/dbraw/zinc/09/40/78/617094078.db2.gz DNXCFVXBNRVRCN-YPMHNXCESA-N 2 2 253.346 0.176 20 0 CCADLP CON1CC[C@@H]([NH+]2CC[C@]3(CC[N@H+](C)C3)C2)C1=O ZINC000930557311 617094080 /nfs/dbraw/zinc/09/40/80/617094080.db2.gz DNXCFVXBNRVRCN-YPMHNXCESA-N 2 2 253.346 0.176 20 0 CCADLP CON1CC[C@@H]([NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000930557311 617094082 /nfs/dbraw/zinc/09/40/82/617094082.db2.gz DNXCFVXBNRVRCN-YPMHNXCESA-N 2 2 253.346 0.176 20 0 CCADLP COc1c(C)c[nH+]c(CNC(=O)N2CC[NH2+]CC2)c1C ZINC000841764805 617145662 /nfs/dbraw/zinc/14/56/62/617145662.db2.gz JATNGEGPILZDNI-UHFFFAOYSA-N 2 2 278.356 0.822 20 0 CCADLP CCC[N@H+](C[C@H](O)C[NH+]1CCCC1)C1CC[NH2+]CC1 ZINC000312079057 625362200 /nfs/dbraw/zinc/36/22/00/625362200.db2.gz RWVMMNUBVQZSGX-OAHLLOKOSA-N 3 2 269.433 0.907 20 0 CCADLP CCC[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1CC[NH2+]CC1 ZINC000312079057 625362204 /nfs/dbraw/zinc/36/22/04/625362204.db2.gz RWVMMNUBVQZSGX-OAHLLOKOSA-N 3 2 269.433 0.907 20 0 CCADLP CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001026400061 625431682 /nfs/dbraw/zinc/43/16/82/625431682.db2.gz CVLGOENWVMRHFD-FPMFFAJLSA-N 2 2 276.384 0.809 20 0 CCADLP c1cc(N2CCC(C[NH2+][C@@H]3C[NH2+]CCOC3)CC2)cc[nH+]1 ZINC000925615510 625449915 /nfs/dbraw/zinc/44/99/15/625449915.db2.gz NPYJIGSUXCOGOP-OAHLLOKOSA-N 3 2 290.411 0.876 20 0 CCADLP O=C(NC1CCC([NH2+]CCO)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001026510133 625464419 /nfs/dbraw/zinc/46/44/19/625464419.db2.gz WVEWXSCSKLAYHS-FIYWTHMPSA-N 2 2 292.383 0.523 20 0 CCADLP O=C(NC1CCC([NH2+]CCO)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001026510133 625464422 /nfs/dbraw/zinc/46/44/22/625464422.db2.gz WVEWXSCSKLAYHS-FIYWTHMPSA-N 2 2 292.383 0.523 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH2+][C@H]2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)O1 ZINC001022776166 622744481 /nfs/dbraw/zinc/74/44/81/622744481.db2.gz VPCQKQAEPCWGSX-NMKXLXIOSA-N 2 2 292.383 0.757 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001022977210 622875868 /nfs/dbraw/zinc/87/58/68/622875868.db2.gz ZMXNLUHNQGOOIF-UPJWGTAASA-N 2 2 292.383 0.236 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+](CCF)C2)C1 ZINC001023291269 622985761 /nfs/dbraw/zinc/98/57/61/622985761.db2.gz HBBBDHIAQFGVCW-OLZOCXBDSA-N 2 2 287.379 0.115 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+](CCF)C2)C1 ZINC001023291269 622985777 /nfs/dbraw/zinc/98/57/77/622985777.db2.gz HBBBDHIAQFGVCW-OLZOCXBDSA-N 2 2 287.379 0.115 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@H+](CCF)C2)C1 ZINC001023291269 622985793 /nfs/dbraw/zinc/98/57/93/622985793.db2.gz HBBBDHIAQFGVCW-OLZOCXBDSA-N 2 2 287.379 0.115 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@@H+](CCF)C2)C1 ZINC001023291269 622985804 /nfs/dbraw/zinc/98/58/04/622985804.db2.gz HBBBDHIAQFGVCW-OLZOCXBDSA-N 2 2 287.379 0.115 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)Cn1ccnn1 ZINC000926573872 623116654 /nfs/dbraw/zinc/11/66/54/623116654.db2.gz QXXUOIWOZISHSV-MGPQQGTHSA-N 2 2 279.388 0.246 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)Cn1ccnn1 ZINC000926573872 623116678 /nfs/dbraw/zinc/11/66/78/623116678.db2.gz QXXUOIWOZISHSV-MGPQQGTHSA-N 2 2 279.388 0.246 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cnn(CCF)c1 ZINC000902444903 634385743 /nfs/dbraw/zinc/38/57/43/634385743.db2.gz IWWQJCFSMDZSRD-WCQYABFASA-N 2 2 270.352 0.709 20 0 CCADLP [NH3+][C@H]1C[C@@H](CNC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000892551083 623522151 /nfs/dbraw/zinc/52/21/51/623522151.db2.gz WJIJCAFOOQACNR-MJBXVCDLSA-N 2 2 296.415 0.230 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892566671 623545951 /nfs/dbraw/zinc/54/59/51/623545951.db2.gz LVMKNWQOEYPANM-SYQHCUMBSA-N 2 2 296.415 0.228 20 0 CCADLP O=C1O[C@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)CN1C1CC1 ZINC000925714834 625718956 /nfs/dbraw/zinc/71/89/56/625718956.db2.gz XIZZPLYILAJEPY-NEPJUHHUSA-N 2 2 265.357 0.844 20 0 CCADLP CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001020504455 624498860 /nfs/dbraw/zinc/49/88/60/624498860.db2.gz IGFQZSTZAZLEDA-YDHLFZDLSA-N 2 2 295.427 0.887 20 0 CCADLP CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001020504455 624498862 /nfs/dbraw/zinc/49/88/62/624498862.db2.gz IGFQZSTZAZLEDA-YDHLFZDLSA-N 2 2 295.427 0.887 20 0 CCADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969905377 624555042 /nfs/dbraw/zinc/55/50/42/624555042.db2.gz BZCIXLFSLXPWRL-MNOVXSKESA-N 2 2 278.356 0.012 20 0 CCADLP Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)on1 ZINC001020819550 624606921 /nfs/dbraw/zinc/60/69/21/624606921.db2.gz ZTRDDVNDXVTYAZ-XYPYZODXSA-N 2 2 289.339 0.686 20 0 CCADLP Cc1cc(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)nc(N)[nH+]1 ZINC000804809096 624638030 /nfs/dbraw/zinc/63/80/30/624638030.db2.gz OEAFVFWTMULZPI-VXGBXAGGSA-N 2 2 277.372 0.667 20 0 CCADLP Cc1cnc(C[NH2+][C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)o1 ZINC001021126795 624663249 /nfs/dbraw/zinc/66/32/49/624663249.db2.gz XAVJTZDFRXEJTL-HAQNSBGRSA-N 2 2 289.339 0.617 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)C1C[NH+](CCO)C1 ZINC000970407626 624684089 /nfs/dbraw/zinc/68/40/89/624684089.db2.gz LSPCHWQEKJAOKW-CMPLNLGQSA-N 2 2 292.383 0.258 20 0 CCADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2F)C1 ZINC000050248125 624803895 /nfs/dbraw/zinc/80/38/95/624803895.db2.gz DMSNCRFHCMXXBP-NSHDSACASA-N 2 2 265.332 0.723 20 0 CCADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2F)C1 ZINC000050248125 624803896 /nfs/dbraw/zinc/80/38/96/624803896.db2.gz DMSNCRFHCMXXBP-NSHDSACASA-N 2 2 265.332 0.723 20 0 CCADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)Nc2cccc3nsnc32)C1 ZINC000050248437 624804121 /nfs/dbraw/zinc/80/41/21/624804121.db2.gz AMUWRCGRDBKLEI-VIFPVBQESA-N 2 2 291.380 0.910 20 0 CCADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc3nsnc32)C1 ZINC000050248437 624804122 /nfs/dbraw/zinc/80/41/22/624804122.db2.gz AMUWRCGRDBKLEI-VIFPVBQESA-N 2 2 291.380 0.910 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H](O)CO[C@@H](C)COC ZINC000234390429 624936242 /nfs/dbraw/zinc/93/62/42/624936242.db2.gz DGSZNRPPLGEQKI-RWMBFGLXSA-N 2 2 260.378 0.083 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H](O)CO[C@@H](C)COC ZINC000234390429 624936248 /nfs/dbraw/zinc/93/62/48/624936248.db2.gz DGSZNRPPLGEQKI-RWMBFGLXSA-N 2 2 260.378 0.083 20 0 CCADLP [NH3+]CC12CCC(CC1)N2C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000891817763 624936429 /nfs/dbraw/zinc/93/64/29/624936429.db2.gz CIZAPVMVFHQMLF-XIKARTHZSA-N 2 2 289.383 0.863 20 0 CCADLP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001022590569 625053651 /nfs/dbraw/zinc/05/36/51/625053651.db2.gz IGFQZSTZAZLEDA-VNHYZAJKSA-N 2 2 295.427 0.887 20 0 CCADLP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001022590569 625053656 /nfs/dbraw/zinc/05/36/56/625053656.db2.gz IGFQZSTZAZLEDA-VNHYZAJKSA-N 2 2 295.427 0.887 20 0 CCADLP CC[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001027197628 625754545 /nfs/dbraw/zinc/75/45/45/625754545.db2.gz HJWRCVJRCLZOIU-GFCCVEGCSA-N 2 2 264.373 0.811 20 0 CCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903446656 634569093 /nfs/dbraw/zinc/56/90/93/634569093.db2.gz ZJZPJQKUJPEYFT-LSDHHAIUSA-N 2 2 294.443 0.367 20 0 CCADLP O=C1CCC(=O)N1CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903469452 634572614 /nfs/dbraw/zinc/57/26/14/634572614.db2.gz VCSJMAPBRVXVQJ-SNVBAGLBSA-N 2 2 251.330 0.010 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000903479907 634575588 /nfs/dbraw/zinc/57/55/88/634575588.db2.gz ZGUWZGMJZUFZPQ-CHWFTXMASA-N 3 2 265.323 0.911 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000903479907 634575593 /nfs/dbraw/zinc/57/55/93/634575593.db2.gz ZGUWZGMJZUFZPQ-CHWFTXMASA-N 3 2 265.323 0.911 20 0 CCADLP Cc1cn(C)nc1C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000903759561 634640124 /nfs/dbraw/zinc/64/01/24/634640124.db2.gz AJSASWNBUYXDQZ-CYBMUJFWSA-N 2 2 289.387 0.616 20 0 CCADLP Cc1cn(C)nc1C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000903759561 634640130 /nfs/dbraw/zinc/64/01/30/634640130.db2.gz AJSASWNBUYXDQZ-CYBMUJFWSA-N 2 2 289.387 0.616 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2C[C@@H](O)COC1CCOCC1 ZINC000903805138 634656944 /nfs/dbraw/zinc/65/69/44/634656944.db2.gz MFMGEHCHAJWPPS-SQWLQELKSA-N 2 2 298.427 0.746 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2C[C@@H](O)COC1CCOCC1 ZINC000903805138 634656949 /nfs/dbraw/zinc/65/69/49/634656949.db2.gz MFMGEHCHAJWPPS-SQWLQELKSA-N 2 2 298.427 0.746 20 0 CCADLP [NH3+][C@@H](CC(F)F)C[NH+]1CCC(Cn2cncn2)CC1 ZINC000903913610 634684119 /nfs/dbraw/zinc/68/41/19/634684119.db2.gz PWFFZTSKYJFMSL-NSHDSACASA-N 2 2 273.331 0.973 20 0 CCADLP [NH3+][C@@H](CC(F)F)C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000903931837 634690875 /nfs/dbraw/zinc/69/08/75/634690875.db2.gz JHAFPYLVWVQDIR-NSHDSACASA-N 2 2 273.331 0.973 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@@](F)(CO)C2)cnn1C ZINC000903918087 634696283 /nfs/dbraw/zinc/69/62/83/634696283.db2.gz RQMLRBWGADKLLY-OCCSQVGLSA-N 2 2 284.379 0.252 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@@](F)(CO)C2)cnn1C ZINC000903918087 634696285 /nfs/dbraw/zinc/69/62/85/634696285.db2.gz RQMLRBWGADKLLY-OCCSQVGLSA-N 2 2 284.379 0.252 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+](C[C@H]3C[C@@H]([NH3+])C3)CC2)c1 ZINC000904316417 634725508 /nfs/dbraw/zinc/72/55/08/634725508.db2.gz OJNYTIAVIRWASQ-BETUJISGSA-N 3 2 276.384 0.950 20 0 CCADLP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)C1 ZINC000904388657 634737007 /nfs/dbraw/zinc/73/70/07/634737007.db2.gz MGCLDXFJMUVFOB-RGOKHQFPSA-N 3 2 251.296 0.935 20 0 CCADLP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)C1 ZINC000904388657 634737009 /nfs/dbraw/zinc/73/70/09/634737009.db2.gz MGCLDXFJMUVFOB-RGOKHQFPSA-N 3 2 251.296 0.935 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000905002755 634776421 /nfs/dbraw/zinc/77/64/21/634776421.db2.gz LVNHKFPDVDMRIX-WOPDTQHZSA-N 2 2 265.361 0.426 20 0 CCADLP C[C@@H]([NH2+]CC1CC1)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC000979402198 630923129 /nfs/dbraw/zinc/92/31/29/630923129.db2.gz IKASGKCIAKOOSG-RISCZKNCSA-N 2 2 292.383 0.568 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCF ZINC001027794875 630924289 /nfs/dbraw/zinc/92/42/89/630924289.db2.gz KMBWACWENDVUIZ-NEPJUHHUSA-N 2 2 257.353 0.631 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCF ZINC001027794875 630924294 /nfs/dbraw/zinc/92/42/94/630924294.db2.gz KMBWACWENDVUIZ-NEPJUHHUSA-N 2 2 257.353 0.631 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCF ZINC001027794875 630924298 /nfs/dbraw/zinc/92/42/98/630924298.db2.gz KMBWACWENDVUIZ-NEPJUHHUSA-N 2 2 257.353 0.631 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCF ZINC001027794875 630924301 /nfs/dbraw/zinc/92/43/01/630924301.db2.gz KMBWACWENDVUIZ-NEPJUHHUSA-N 2 2 257.353 0.631 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC[C@H]1CCCS1(=O)=O ZINC000925762452 630950506 /nfs/dbraw/zinc/95/05/06/630950506.db2.gz LAVFDPGNZHXWIX-IJLUTSLNSA-N 2 2 260.403 0.541 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000925770814 631004483 /nfs/dbraw/zinc/00/44/83/631004483.db2.gz VGWZSDQFELIFLM-JYJNAYRXSA-N 3 2 298.475 0.498 20 0 CCADLP C[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000980296678 631012001 /nfs/dbraw/zinc/01/20/01/631012001.db2.gz SSDBAJQPZPZFNH-OCCSQVGLSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000980296678 631012006 /nfs/dbraw/zinc/01/20/06/631012006.db2.gz SSDBAJQPZPZFNH-OCCSQVGLSA-N 2 2 294.399 0.266 20 0 CCADLP O=C1C[C@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CN1CC1CC1 ZINC000925771710 631012729 /nfs/dbraw/zinc/01/27/29/631012729.db2.gz NWOHIJGNNYXRTO-SQWLQELKSA-N 2 2 293.411 0.354 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([N@H+](C)CCF)C1 ZINC000980408653 631019553 /nfs/dbraw/zinc/01/95/53/631019553.db2.gz MPTWYRCISKMFMC-GFCCVEGCSA-N 2 2 268.336 0.694 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([N@@H+](C)CCF)C1 ZINC000980408653 631019557 /nfs/dbraw/zinc/01/95/57/631019557.db2.gz MPTWYRCISKMFMC-GFCCVEGCSA-N 2 2 268.336 0.694 20 0 CCADLP Cc1cc(F)ncc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000893605034 631020079 /nfs/dbraw/zinc/02/00/79/631020079.db2.gz BTDLJUUYGGXTMO-ZDUSSCGKSA-N 2 2 253.321 0.685 20 0 CCADLP Cc1cc(F)ncc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000893605034 631020085 /nfs/dbraw/zinc/02/00/85/631020085.db2.gz BTDLJUUYGGXTMO-ZDUSSCGKSA-N 2 2 253.321 0.685 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCC[C@@H]([NH2+]CCF)C1 ZINC000981417157 631276661 /nfs/dbraw/zinc/27/66/61/631276661.db2.gz JSKHAHKXKJYBJN-MNOVXSKESA-N 2 2 268.336 0.939 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000925827219 631350784 /nfs/dbraw/zinc/35/07/84/631350784.db2.gz SWIUZBZZWVXOLE-KBPBESRZSA-N 2 2 298.427 0.665 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000925827222 631351068 /nfs/dbraw/zinc/35/10/68/631351068.db2.gz SWIUZBZZWVXOLE-ZIAGYGMSSA-N 2 2 298.427 0.665 20 0 CCADLP Cn1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)cn1 ZINC001010369869 631352226 /nfs/dbraw/zinc/35/22/26/631352226.db2.gz PELFIMUUQDWIJY-UONOGXRCSA-N 2 2 291.399 0.205 20 0 CCADLP Cn1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)cn1 ZINC001010369869 631352232 /nfs/dbraw/zinc/35/22/32/631352232.db2.gz PELFIMUUQDWIJY-UONOGXRCSA-N 2 2 291.399 0.205 20 0 CCADLP Cn1cc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC001010369869 631352235 /nfs/dbraw/zinc/35/22/35/631352235.db2.gz PELFIMUUQDWIJY-UONOGXRCSA-N 2 2 291.399 0.205 20 0 CCADLP Cn1cc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)cn1 ZINC001010369869 631352241 /nfs/dbraw/zinc/35/22/41/631352241.db2.gz PELFIMUUQDWIJY-UONOGXRCSA-N 2 2 291.399 0.205 20 0 CCADLP C[C@@H](C[NH2+]Cc1c[nH]cn1)CN1CC[NH+](C)CC1 ZINC000894236530 631618130 /nfs/dbraw/zinc/61/81/30/631618130.db2.gz ARGJXCQTRKBVIC-LBPRGKRZSA-N 2 2 251.378 0.383 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cn(C)cn1 ZINC000924965336 631681180 /nfs/dbraw/zinc/68/11/80/631681180.db2.gz NJBVSRAWFWKKNV-QWHCGFSZSA-N 2 2 293.415 0.658 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cn(C)cn1 ZINC000924965336 631681186 /nfs/dbraw/zinc/68/11/86/631681186.db2.gz NJBVSRAWFWKKNV-QWHCGFSZSA-N 2 2 293.415 0.658 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)N(C)C ZINC000261926658 631700491 /nfs/dbraw/zinc/70/04/91/631700491.db2.gz LDAZWNDGIHNGMY-AAVRWANBSA-N 2 2 255.406 0.683 20 0 CCADLP Cc1noc2ncc(C[NH2+]C[C@]3(O)CC[N@@H+](C)C3)cc12 ZINC000894469802 631776297 /nfs/dbraw/zinc/77/62/97/631776297.db2.gz QCRWRCJPFABJPM-CQSZACIVSA-N 2 2 276.340 0.687 20 0 CCADLP Cc1noc2ncc(C[NH2+]C[C@]3(O)CC[N@H+](C)C3)cc12 ZINC000894469802 631776300 /nfs/dbraw/zinc/77/63/00/631776300.db2.gz QCRWRCJPFABJPM-CQSZACIVSA-N 2 2 276.340 0.687 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895703203 632134803 /nfs/dbraw/zinc/13/48/03/632134803.db2.gz AGUXQOMGOGGGHG-YPMHNXCESA-N 2 2 278.356 0.109 20 0 CCADLP C[C@H]1[C@@H](Nc2cc(-n3cccn3)nc(N)[nH+]2)CC[N@@H+]1C ZINC000895739519 632139775 /nfs/dbraw/zinc/13/97/75/632139775.db2.gz FTYDTTVPNATWJC-UWVGGRQHSA-N 2 2 273.344 0.749 20 0 CCADLP C[C@H]1[C@@H](Nc2cc(-n3cccn3)nc(N)[nH+]2)CC[N@H+]1C ZINC000895739519 632139781 /nfs/dbraw/zinc/13/97/81/632139781.db2.gz FTYDTTVPNATWJC-UWVGGRQHSA-N 2 2 273.344 0.749 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCc2nnnn2C)[C@H]1C ZINC000883446196 632299465 /nfs/dbraw/zinc/29/94/65/632299465.db2.gz ZBUGRFOUVOSYLF-VWYCJHECSA-N 2 2 252.366 0.200 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCc2nnnn2C)[C@H]1C ZINC000883446196 632299471 /nfs/dbraw/zinc/29/94/71/632299471.db2.gz ZBUGRFOUVOSYLF-VWYCJHECSA-N 2 2 252.366 0.200 20 0 CCADLP C[C@H](O)C[N@H+](C)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000985463153 632492239 /nfs/dbraw/zinc/49/22/39/632492239.db2.gz TZDPJMSCXGPBQH-LBPRGKRZSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@H](O)C[N@@H+](C)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000985463153 632492243 /nfs/dbraw/zinc/49/22/43/632492243.db2.gz TZDPJMSCXGPBQH-LBPRGKRZSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@H](O)C[N@H+](C)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000985463153 632492250 /nfs/dbraw/zinc/49/22/50/632492250.db2.gz TZDPJMSCXGPBQH-LBPRGKRZSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@H](O)C[N@@H+](C)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000985463153 632492256 /nfs/dbraw/zinc/49/22/56/632492256.db2.gz TZDPJMSCXGPBQH-LBPRGKRZSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@@H]1[C@@H]([NH2+]CCF)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000986343402 632747350 /nfs/dbraw/zinc/74/73/50/632747350.db2.gz KRKLTJNBZUJEFX-PWSUYJOCSA-N 2 2 268.336 0.891 20 0 CCADLP C[C@@H]1[C@@H]([NH2+]CCF)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000986343402 632747357 /nfs/dbraw/zinc/74/73/57/632747357.db2.gz KRKLTJNBZUJEFX-PWSUYJOCSA-N 2 2 268.336 0.891 20 0 CCADLP C[C@@H]1[C@H]([NH2+]CC2CC2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000987262404 632849487 /nfs/dbraw/zinc/84/94/87/632849487.db2.gz UZALJSIARKBGEP-ZYHUDNBSSA-N 2 2 262.357 0.941 20 0 CCADLP C[C@H]1[C@H]([NH2+]CCF)CCN1C(=O)Cc1c[nH+]cn1C ZINC000987349056 632859755 /nfs/dbraw/zinc/85/97/55/632859755.db2.gz SGGYVYMSKVEBFS-CMPLNLGQSA-N 2 2 268.336 0.511 20 0 CCADLP C[C@@H]1[C@@H]([NH2+]CC2CC2)CCN1C(=O)Cn1cc[nH+]c1 ZINC000987605208 632884237 /nfs/dbraw/zinc/88/42/37/632884237.db2.gz OLGBBQHZLBZMHU-YPMHNXCESA-N 2 2 262.357 0.872 20 0 CCADLP CC(C)[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000987612081 632885016 /nfs/dbraw/zinc/88/50/16/632885016.db2.gz SWRQRWOWUVVUFR-NEPJUHHUSA-N 2 2 250.346 0.871 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCF)CN1C(=O)CCc1[nH+]ccn1C ZINC000989225067 633171319 /nfs/dbraw/zinc/17/13/19/633171319.db2.gz ZNUNYBKUSQMOII-RYUDHWBXSA-N 2 2 282.363 0.901 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[N@@H+](C[C@H](C)O)CC1 ZINC000989563381 633327202 /nfs/dbraw/zinc/32/72/02/633327202.db2.gz WZEOXFBTADXJOC-NSHDSACASA-N 2 2 280.372 0.176 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[N@H+](C[C@H](C)O)CC1 ZINC000989563381 633327207 /nfs/dbraw/zinc/32/72/07/633327207.db2.gz WZEOXFBTADXJOC-NSHDSACASA-N 2 2 280.372 0.176 20 0 CCADLP CC(C)[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC000990111148 633448081 /nfs/dbraw/zinc/44/80/81/633448081.db2.gz ZJWYDONCTVTWPL-IIAWOOMASA-N 2 2 295.427 0.839 20 0 CCADLP CC(C)[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC000990111148 633448082 /nfs/dbraw/zinc/44/80/82/633448082.db2.gz ZJWYDONCTVTWPL-IIAWOOMASA-N 2 2 295.427 0.839 20 0 CCADLP CC(C)[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC000990111148 633448085 /nfs/dbraw/zinc/44/80/85/633448085.db2.gz ZJWYDONCTVTWPL-IIAWOOMASA-N 2 2 295.427 0.839 20 0 CCADLP CC(C)[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC000990111148 633448086 /nfs/dbraw/zinc/44/80/86/633448086.db2.gz ZJWYDONCTVTWPL-IIAWOOMASA-N 2 2 295.427 0.839 20 0 CCADLP CCC[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001009212941 650140175 /nfs/dbraw/zinc/14/01/75/650140175.db2.gz GOIYYSJUCWIBQQ-GFCCVEGCSA-N 2 2 264.373 0.953 20 0 CCADLP CCC[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001009212941 650140176 /nfs/dbraw/zinc/14/01/76/650140176.db2.gz GOIYYSJUCWIBQQ-GFCCVEGCSA-N 2 2 264.373 0.953 20 0 CCADLP CS[C@H]1CN(C(=O)CNc2cccc[nH+]2)C[C@@H]1[NH+](C)C ZINC000901227054 634216770 /nfs/dbraw/zinc/21/67/70/634216770.db2.gz AJMGFHJHSUSQFU-RYUDHWBXSA-N 2 2 294.424 0.998 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+](C)CN1C[C@@H]2C[C@@H]2C1=O ZINC000902197345 634337715 /nfs/dbraw/zinc/33/77/15/634337715.db2.gz VLDZYJFRHVVEGN-STQMWFEESA-N 2 2 262.357 0.949 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+](C)CN1C[C@@H]2C[C@@H]2C1=O ZINC000902197345 634337724 /nfs/dbraw/zinc/33/77/24/634337724.db2.gz VLDZYJFRHVVEGN-STQMWFEESA-N 2 2 262.357 0.949 20 0 CCADLP O[C@@H](C[NH2+]CCCn1cc[nH+]c1)CC1(O)CCCC1 ZINC000905871160 634916333 /nfs/dbraw/zinc/91/63/33/634916333.db2.gz VGQKPNVAJACRGZ-CYBMUJFWSA-N 2 2 267.373 0.919 20 0 CCADLP Cc1ncc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)o1 ZINC001010383535 650212482 /nfs/dbraw/zinc/21/24/82/650212482.db2.gz WWGPCYHCNKLNOL-OCCSQVGLSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1ncc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)o1 ZINC001010383535 650212484 /nfs/dbraw/zinc/21/24/84/650212484.db2.gz WWGPCYHCNKLNOL-OCCSQVGLSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)o1 ZINC001010383535 650212486 /nfs/dbraw/zinc/21/24/86/650212486.db2.gz WWGPCYHCNKLNOL-OCCSQVGLSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)o1 ZINC001010383535 650212487 /nfs/dbraw/zinc/21/24/87/650212487.db2.gz WWGPCYHCNKLNOL-OCCSQVGLSA-N 2 2 292.383 0.768 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000911712477 636345847 /nfs/dbraw/zinc/34/58/47/636345847.db2.gz BVWPNDAJXZYCQN-GHMZBOCLSA-N 2 2 250.346 0.847 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000911712477 636345850 /nfs/dbraw/zinc/34/58/50/636345850.db2.gz BVWPNDAJXZYCQN-GHMZBOCLSA-N 2 2 250.346 0.847 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000912613860 636623865 /nfs/dbraw/zinc/62/38/65/636623865.db2.gz HLHBZODAKWNVHC-UTUOFQBUSA-N 2 2 280.372 0.443 20 0 CCADLP C[C@H]1[C@H](NC(=O)NCCNc2cccc[nH+]2)CC[N@@H+]1C ZINC000913915700 637467931 /nfs/dbraw/zinc/46/79/31/637467931.db2.gz LFOKCJIYZWBWOS-NWDGAFQWSA-N 2 2 277.372 0.885 20 0 CCADLP C[C@H]1[C@H](NC(=O)NCCNc2cccc[nH+]2)CC[N@H+]1C ZINC000913915700 637467936 /nfs/dbraw/zinc/46/79/36/637467936.db2.gz LFOKCJIYZWBWOS-NWDGAFQWSA-N 2 2 277.372 0.885 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@H]([NH2+]CCO)[C@H]2C1 ZINC000992926939 637639757 /nfs/dbraw/zinc/63/97/57/637639757.db2.gz VGQUQRNNZSSTMP-IHRRRGAJSA-N 2 2 292.383 0.092 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@@H]1CC[NH+]1C ZINC000925424252 637775159 /nfs/dbraw/zinc/77/51/59/637775159.db2.gz LGUDWKDOSWYQDF-NEPJUHHUSA-N 2 2 254.378 0.426 20 0 CCADLP CC[C@@H]1C[NH+](C)CCN1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925424252 637775171 /nfs/dbraw/zinc/77/51/71/637775171.db2.gz LGUDWKDOSWYQDF-NEPJUHHUSA-N 2 2 254.378 0.426 20 0 CCADLP CC[C@@H]1C[NH+](C)CCN1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000925424252 637775176 /nfs/dbraw/zinc/77/51/76/637775176.db2.gz LGUDWKDOSWYQDF-NEPJUHHUSA-N 2 2 254.378 0.426 20 0 CCADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC[C@H]1CC[N@@H+]1C ZINC000915662339 637779651 /nfs/dbraw/zinc/77/96/51/637779651.db2.gz IRTUUIXXOKVKRA-WCQYABFASA-N 2 2 279.388 0.831 20 0 CCADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC[C@H]1CC[N@H+]1C ZINC000915662339 637779656 /nfs/dbraw/zinc/77/96/56/637779656.db2.gz IRTUUIXXOKVKRA-WCQYABFASA-N 2 2 279.388 0.831 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]Cc1ccccn1 ZINC000939210375 638329408 /nfs/dbraw/zinc/32/94/08/638329408.db2.gz NFVKWADBNVAHLL-IUODEOHRSA-N 2 2 299.378 0.984 20 0 CCADLP C[C@@H](O)C[NH2+]C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000997182240 638858153 /nfs/dbraw/zinc/85/81/53/638858153.db2.gz HHZPDFIQOIPVEJ-LLVKDONJSA-N 2 2 294.399 0.649 20 0 CCADLP CC(C)(C(=O)N1CCC([NH2+]CCO)CC1)c1c[nH+]c[nH]1 ZINC000997182288 638858189 /nfs/dbraw/zinc/85/81/89/638858189.db2.gz IHSFTUFSPITIOA-UHFFFAOYSA-N 2 2 280.372 0.260 20 0 CCADLP CC(C)[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC000999690365 638992914 /nfs/dbraw/zinc/99/29/14/638992914.db2.gz XLLLHVFZBNXKNP-UHFFFAOYSA-N 2 2 264.373 0.950 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]([NH2+]CC2CC2)C1 ZINC001000325505 639073192 /nfs/dbraw/zinc/07/31/92/639073192.db2.gz SZAUMICNVMVZGE-GFCCVEGCSA-N 2 2 262.357 0.943 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](CCCO)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001014813256 650491262 /nfs/dbraw/zinc/49/12/62/650491262.db2.gz WYVMWDZPBPQQMR-IJLUTSLNSA-N 2 2 278.356 0.086 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](CCCO)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001014813256 650491263 /nfs/dbraw/zinc/49/12/63/650491263.db2.gz WYVMWDZPBPQQMR-IJLUTSLNSA-N 2 2 278.356 0.086 20 0 CCADLP C[N@@H+]1CC[C@H]1CNC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000922397292 639676499 /nfs/dbraw/zinc/67/64/99/639676499.db2.gz JORHHLSJIJVMBU-NSHDSACASA-N 2 2 277.372 0.723 20 0 CCADLP C[N@H+]1CC[C@H]1CNC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000922397292 639676505 /nfs/dbraw/zinc/67/65/05/639676505.db2.gz JORHHLSJIJVMBU-NSHDSACASA-N 2 2 277.372 0.723 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccon3)CC2)C1 ZINC001004141960 639694328 /nfs/dbraw/zinc/69/43/28/639694328.db2.gz DSQPPSOPHYJGIM-GFCCVEGCSA-N 2 2 292.383 0.707 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccon3)CC2)C1 ZINC001004141960 639694331 /nfs/dbraw/zinc/69/43/31/639694331.db2.gz DSQPPSOPHYJGIM-GFCCVEGCSA-N 2 2 292.383 0.707 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC1CC[NH+](CCCF)CC1 ZINC001004256420 639737305 /nfs/dbraw/zinc/73/73/05/639737305.db2.gz GIXZEAXKFLNMQS-UHFFFAOYSA-N 2 2 268.336 0.823 20 0 CCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCN(c3ccccn3)CC2)C1 ZINC000923319790 640081906 /nfs/dbraw/zinc/08/19/06/640081906.db2.gz ZWDPOCHGNAYQHT-AVGNSLFASA-N 2 2 262.357 0.054 20 0 CCADLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923322816 640085090 /nfs/dbraw/zinc/08/50/90/640085090.db2.gz OSQFCFHJLFZVMP-CRWXNKLISA-N 3 2 264.373 0.679 20 0 CCADLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923322816 640085096 /nfs/dbraw/zinc/08/50/96/640085096.db2.gz OSQFCFHJLFZVMP-CRWXNKLISA-N 3 2 264.373 0.679 20 0 CCADLP C[N@H+](C[C@H](O)C[NH3+])C[C@H](O)c1ccc(F)cc1F ZINC000923365015 640103548 /nfs/dbraw/zinc/10/35/48/640103548.db2.gz BXUXNRVSMCRALL-SKDRFNHKSA-N 2 2 260.284 0.250 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH3+])C[C@H](O)c1ccc(F)cc1F ZINC000923365015 640103557 /nfs/dbraw/zinc/10/35/57/640103557.db2.gz BXUXNRVSMCRALL-SKDRFNHKSA-N 2 2 260.284 0.250 20 0 CCADLP Cc1ccc([C@H](O)C[NH2+]C[C@H](O)C[NH+](C)C)cc1 ZINC000843060857 640360760 /nfs/dbraw/zinc/36/07/60/640360760.db2.gz CYJIQSWYEYJFGO-UONOGXRCSA-N 2 2 252.358 0.541 20 0 CCADLP C[NH+](C)CCn1cc(C(=O)N[C@H]2CC[N@H+](CCF)C2)cn1 ZINC001015826851 650635489 /nfs/dbraw/zinc/63/54/89/650635489.db2.gz KHROSUDCMVFQTL-ZDUSSCGKSA-N 2 2 297.378 0.218 20 0 CCADLP C[NH+](C)CCn1cc(C(=O)N[C@H]2CC[N@@H+](CCF)C2)cn1 ZINC001015826851 650635490 /nfs/dbraw/zinc/63/54/90/650635490.db2.gz KHROSUDCMVFQTL-ZDUSSCGKSA-N 2 2 297.378 0.218 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001015996214 650672680 /nfs/dbraw/zinc/67/26/80/650672680.db2.gz HDOSAMHNYNPVEP-CYBMUJFWSA-N 2 2 276.384 0.953 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001015996214 650672683 /nfs/dbraw/zinc/67/26/83/650672683.db2.gz HDOSAMHNYNPVEP-CYBMUJFWSA-N 2 2 276.384 0.953 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCCF)C1 ZINC001016105233 650682388 /nfs/dbraw/zinc/68/23/88/650682388.db2.gz DIMKMIMBVWHRRV-NSHDSACASA-N 2 2 268.336 0.811 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCCF)C1 ZINC001016105233 650682389 /nfs/dbraw/zinc/68/23/89/650682389.db2.gz DIMKMIMBVWHRRV-NSHDSACASA-N 2 2 268.336 0.811 20 0 CCADLP O=C(C[NH+]1CCCC1)N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC000825199346 641873389 /nfs/dbraw/zinc/87/33/89/641873389.db2.gz XRABYSCCHXUGMV-HNNXBMFYSA-N 2 2 289.379 0.961 20 0 CCADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@H+](Cc2cncs2)C1 ZINC001016251090 650704996 /nfs/dbraw/zinc/70/49/96/650704996.db2.gz JWOUTJQQEIMKFO-GFCCVEGCSA-N 2 2 294.424 0.929 20 0 CCADLP O=C(C[NH+]1CCCC1)N[C@@H]1CC[N@@H+](Cc2cncs2)C1 ZINC001016251090 650704997 /nfs/dbraw/zinc/70/49/97/650704997.db2.gz JWOUTJQQEIMKFO-GFCCVEGCSA-N 2 2 294.424 0.929 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000827264365 641994242 /nfs/dbraw/zinc/99/42/42/641994242.db2.gz AZLVSNKQXJARPH-YPMHNXCESA-N 2 2 262.357 0.813 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827264365 641994245 /nfs/dbraw/zinc/99/42/45/641994245.db2.gz AZLVSNKQXJARPH-YPMHNXCESA-N 2 2 262.357 0.813 20 0 CCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)[C@@]1(F)CC[NH2+]C1 ZINC000827548969 642016753 /nfs/dbraw/zinc/01/67/53/642016753.db2.gz UFSYFYJUZTZTTC-CQSZACIVSA-N 2 2 297.399 0.924 20 0 CCADLP O=C(NCC[N@H+]1CCc2sccc2C1)[C@@]1(F)CC[NH2+]C1 ZINC000827548969 642016760 /nfs/dbraw/zinc/01/67/60/642016760.db2.gz UFSYFYJUZTZTTC-CQSZACIVSA-N 2 2 297.399 0.924 20 0 CCADLP C[C@@H]1C[C@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC[N@@H+]1C ZINC000828596270 642107265 /nfs/dbraw/zinc/10/72/65/642107265.db2.gz TZDTZJNGTKALSS-GHMZBOCLSA-N 2 2 250.346 0.893 20 0 CCADLP C[C@@H]1C[C@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC[N@H+]1C ZINC000828596270 642107266 /nfs/dbraw/zinc/10/72/66/642107266.db2.gz TZDTZJNGTKALSS-GHMZBOCLSA-N 2 2 250.346 0.893 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC001016398703 650725224 /nfs/dbraw/zinc/72/52/24/650725224.db2.gz WDYACUBRIBKSOC-CHWSQXEVSA-N 2 2 278.356 0.110 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001016398703 650725227 /nfs/dbraw/zinc/72/52/27/650725227.db2.gz WDYACUBRIBKSOC-CHWSQXEVSA-N 2 2 278.356 0.110 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001016398153 650725315 /nfs/dbraw/zinc/72/53/15/650725315.db2.gz RRCHEKGSTGHSJL-ZDUSSCGKSA-N 2 2 262.357 0.874 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001016398153 650725317 /nfs/dbraw/zinc/72/53/17/650725317.db2.gz RRCHEKGSTGHSJL-ZDUSSCGKSA-N 2 2 262.357 0.874 20 0 CCADLP Cc1nc(N2CCN(C(=O)CCCCC[NH3+])CC2)cc[nH+]1 ZINC000831975007 642424112 /nfs/dbraw/zinc/42/41/12/642424112.db2.gz HBFLVKRQIVPCJS-UHFFFAOYSA-N 2 2 291.399 0.953 20 0 CCADLP C[C@@H](O)C[NH+]1CCC2(C[C@@H]2NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001016902870 650770280 /nfs/dbraw/zinc/77/02/80/650770280.db2.gz RLFOIDOGONVNNW-NEPJUHHUSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(CC[NH+]1CCOCC1)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000834600283 642613223 /nfs/dbraw/zinc/61/32/23/642613223.db2.gz QANOJDSAPPQUTL-ZIAGYGMSSA-N 2 2 299.390 0.353 20 0 CCADLP Cc1ccc(NC(=O)N(CC[NH3+])CCO)c(N(C)C)[nH+]1 ZINC000841154980 642805317 /nfs/dbraw/zinc/80/53/17/642805317.db2.gz PELQTZXBCKEZRK-UHFFFAOYSA-N 2 2 281.360 0.241 20 0 CCADLP Cc1ccccc1[C@@H](O)C[NH2+]C[C@@H](O)C[NH+](C)C ZINC000843063115 642985504 /nfs/dbraw/zinc/98/55/04/642985504.db2.gz SDVXCHOGPPFWHK-OCCSQVGLSA-N 2 2 252.358 0.541 20 0 CCADLP [NH3+]C1(C[NH2+]CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CCC1 ZINC000843368039 643040527 /nfs/dbraw/zinc/04/05/27/643040527.db2.gz LVTDULMROCHQMZ-UHFFFAOYSA-N 2 2 289.339 0.678 20 0 CCADLP O=C(Nc1cnn(C2CC[NH2+]CC2)c1)[C@@H]1CSC[NH2+]1 ZINC000843454045 643061742 /nfs/dbraw/zinc/06/17/42/643061742.db2.gz HNSVSBMKPKJBAK-NSHDSACASA-N 2 2 281.385 0.409 20 0 CCADLP O=C(N1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000844165784 643165881 /nfs/dbraw/zinc/16/58/81/643165881.db2.gz PNNAUUYEHOCQQL-GXTWGEPZSA-N 2 2 285.363 0.011 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NCc2ccccn2)C[C@@H]1C[NH3+] ZINC000844227131 643186379 /nfs/dbraw/zinc/18/63/79/643186379.db2.gz TZDKKLZGDQPRAJ-OLZOCXBDSA-N 2 2 276.384 0.615 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccccn2)C[C@@H]1C[NH3+] ZINC000844227131 643186386 /nfs/dbraw/zinc/18/63/86/643186386.db2.gz TZDKKLZGDQPRAJ-OLZOCXBDSA-N 2 2 276.384 0.615 20 0 CCADLP [NH3+]C[C@@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000846663842 643438934 /nfs/dbraw/zinc/43/89/34/643438934.db2.gz PKWXWXSHCUPKBD-LBPRGKRZSA-N 2 2 276.384 0.959 20 0 CCADLP Cn1ccnc1[C@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000846837100 643461840 /nfs/dbraw/zinc/46/18/40/643461840.db2.gz WOTHDDUQZKIJCI-KBPBESRZSA-N 2 2 278.400 0.666 20 0 CCADLP Cn1ccnc1[C@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000846837100 643461847 /nfs/dbraw/zinc/46/18/47/643461847.db2.gz WOTHDDUQZKIJCI-KBPBESRZSA-N 2 2 278.400 0.666 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]cn1C ZINC001018176486 650846951 /nfs/dbraw/zinc/84/69/51/650846951.db2.gz JDBMDBXHAMWIFT-RWMBFGLXSA-N 2 2 292.383 0.019 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]cn1C ZINC001018176486 650846952 /nfs/dbraw/zinc/84/69/52/650846952.db2.gz JDBMDBXHAMWIFT-RWMBFGLXSA-N 2 2 292.383 0.019 20 0 CCADLP Cn1nncc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000848550116 643651741 /nfs/dbraw/zinc/65/17/41/643651741.db2.gz CXKQLPZDUVYQDS-CQSZACIVSA-N 2 2 279.388 0.548 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)[C@@H]1CCC[NH2+]1 ZINC000848723008 643671701 /nfs/dbraw/zinc/67/17/01/643671701.db2.gz ZWJOCEAFYZERCN-WCQGTBRESA-N 2 2 253.346 0.700 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H](CO)Cc1ccccc1 ZINC000852289518 643949661 /nfs/dbraw/zinc/94/96/61/643949661.db2.gz TVFDQYSKMLUSQY-IAGOWNOFSA-N 2 2 292.423 0.979 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H](CO)Cc1ccccc1 ZINC000852289518 643949667 /nfs/dbraw/zinc/94/96/67/643949667.db2.gz TVFDQYSKMLUSQY-IAGOWNOFSA-N 2 2 292.423 0.979 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852441869 643967074 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JVVVSGQCQNRNGF-NSHDSACASA-N 2 2 250.346 0.795 20 0 CCADLP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cnn(C)n1 ZINC000924628951 648374134 /nfs/dbraw/zinc/37/41/34/648374134.db2.gz MEWDKIBRIMSBQF-LBPRGKRZSA-N 2 2 280.420 0.492 20 0 CCADLP C[C@H](C[NH2+][C@H](C)C1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC000924960114 648391690 /nfs/dbraw/zinc/39/16/90/648391690.db2.gz YMDYNGVTEHBSEC-VXGBXAGGSA-N 2 2 291.461 0.586 20 0 CCADLP C[C@H](C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)CN1CC[NH+](C)CC1 ZINC000925489811 648439164 /nfs/dbraw/zinc/43/91/64/648439164.db2.gz LRRBKDSAZYMUHS-PHPOFCCKSA-N 3 2 292.471 0.456 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925549530 648441997 /nfs/dbraw/zinc/44/19/97/648441997.db2.gz MOUOOGGNDIWOSY-HUUCEWRRSA-N 3 2 280.460 0.887 20 0 CCADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000925577788 648444190 /nfs/dbraw/zinc/44/41/90/648444190.db2.gz WNCXUWKCMQSJNN-GHMZBOCLSA-N 2 2 260.403 0.541 20 0 CCADLP 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HWPGQKHWTAZUPO-WZRBSPASSA-N 2 2 264.373 0.937 20 0 CCADLP C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)[N@H+]1CCc1c[nH+]cn1C ZINC000930910770 648924151 /nfs/dbraw/zinc/92/41/51/648924151.db2.gz HWPGQKHWTAZUPO-WZRBSPASSA-N 2 2 264.373 0.937 20 0 CCADLP O[C@H]1CC[N@@H+](C2CC[NH+](CCO[C@@H]3CCOC3)CC2)C1 ZINC000931065976 648942368 /nfs/dbraw/zinc/94/23/68/648942368.db2.gz GPKVRANUTYEBJS-LSDHHAIUSA-N 2 2 284.400 0.323 20 0 CCADLP O[C@H]1CC[N@H+](C2CC[NH+](CCO[C@@H]3CCOC3)CC2)C1 ZINC000931065976 648942371 /nfs/dbraw/zinc/94/23/71/648942371.db2.gz GPKVRANUTYEBJS-LSDHHAIUSA-N 2 2 284.400 0.323 20 0 CCADLP OCC1(C[NH+]2CCC([N@@H+]3CCCOCC3)CC2)COC1 ZINC000931288522 648974563 /nfs/dbraw/zinc/97/45/63/648974563.db2.gz MSMBYYOSAJHWCO-UHFFFAOYSA-N 2 2 284.400 0.182 20 0 CCADLP OCC1(C[NH+]2CCC([N@H+]3CCCOCC3)CC2)COC1 ZINC000931288522 648974566 /nfs/dbraw/zinc/97/45/66/648974566.db2.gz MSMBYYOSAJHWCO-UHFFFAOYSA-N 2 2 284.400 0.182 20 0 CCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H](O)C1(O)CCCC1 ZINC000931720280 649022304 /nfs/dbraw/zinc/02/23/04/649022304.db2.gz WLUMILAUQJKBSS-MJBXVCDLSA-N 2 2 268.401 0.821 20 0 CCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H](O)C1(O)CCCC1 ZINC000931720280 649022307 /nfs/dbraw/zinc/02/23/07/649022307.db2.gz WLUMILAUQJKBSS-MJBXVCDLSA-N 2 2 268.401 0.821 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@H](O)C1(O)CCCC1 ZINC000931720280 649022309 /nfs/dbraw/zinc/02/23/09/649022309.db2.gz WLUMILAUQJKBSS-MJBXVCDLSA-N 2 2 268.401 0.821 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@H](O)C1(O)CCCC1 ZINC000931720280 649022310 /nfs/dbraw/zinc/02/23/10/649022310.db2.gz WLUMILAUQJKBSS-MJBXVCDLSA-N 2 2 268.401 0.821 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC000932758862 649088874 /nfs/dbraw/zinc/08/88/74/649088874.db2.gz ZIAUDJHHMPWTRI-UHFFFAOYSA-N 2 2 278.356 0.927 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CCO)[C@@H](C)C1 ZINC000947980926 649358011 /nfs/dbraw/zinc/35/80/11/649358011.db2.gz SDODHOKRWDYFOY-CMPLNLGQSA-N 2 2 280.372 0.222 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000947980926 649358014 /nfs/dbraw/zinc/35/80/14/649358014.db2.gz SDODHOKRWDYFOY-CMPLNLGQSA-N 2 2 280.372 0.222 20 0 CCADLP CON(C)C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000091593673 649707915 /nfs/dbraw/zinc/70/79/15/649707915.db2.gz BMFJCLYVASVSRD-RYUDHWBXSA-N 2 2 255.362 0.422 20 0 CCADLP CON(C)C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000091593673 649707917 /nfs/dbraw/zinc/70/79/17/649707917.db2.gz BMFJCLYVASVSRD-RYUDHWBXSA-N 2 2 255.362 0.422 20 0 CCADLP CON(C)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000091593673 649707918 /nfs/dbraw/zinc/70/79/18/649707918.db2.gz BMFJCLYVASVSRD-RYUDHWBXSA-N 2 2 255.362 0.422 20 0 CCADLP CON(C)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000091593673 649707920 /nfs/dbraw/zinc/70/79/20/649707920.db2.gz BMFJCLYVASVSRD-RYUDHWBXSA-N 2 2 255.362 0.422 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001230348129 805595593 /nfs/dbraw/zinc/59/55/93/805595593.db2.gz VLEPGVAQEWYJHO-MGPQQGTHSA-N 2 2 294.399 0.935 20 0 CCADLP C[N@@H+]1CCC[C@H](C[NH+]2CCO[C@@H]3C[C@@H](CO)C[C@@H]32)C1 ZINC001208608940 790430307 /nfs/dbraw/zinc/43/03/07/790430307.db2.gz XMFRHKJLIFSIQD-ZQDZILKHSA-N 2 2 268.401 0.800 20 0 CCADLP C[N@H+]1CCC[C@H](C[NH+]2CCO[C@@H]3C[C@@H](CO)C[C@@H]32)C1 ZINC001208608940 790430313 /nfs/dbraw/zinc/43/03/13/790430313.db2.gz XMFRHKJLIFSIQD-ZQDZILKHSA-N 2 2 268.401 0.800 20 0 CCADLP C[NH+]1CCC[C@H](C[N@@H+]2CCO[C@@H]3C[C@@H](CO)C[C@@H]32)C1 ZINC001208608940 790430323 /nfs/dbraw/zinc/43/03/23/790430323.db2.gz XMFRHKJLIFSIQD-ZQDZILKHSA-N 2 2 268.401 0.800 20 0 CCADLP C[NH+]1CCC[C@H](C[N@H+]2CCO[C@@H]3C[C@@H](CO)C[C@@H]32)C1 ZINC001208608940 790430329 /nfs/dbraw/zinc/43/03/29/790430329.db2.gz XMFRHKJLIFSIQD-ZQDZILKHSA-N 2 2 268.401 0.800 20 0 CCADLP CCOC(=O)c1c[nH]c2cc(N3C[C@@H](O)[C@@H]([NH3+])C3)[nH+]cc21 ZINC001167092735 790529320 /nfs/dbraw/zinc/52/93/20/790529320.db2.gz QEKFMRZFDVIHPY-CMPLNLGQSA-N 2 2 290.323 0.248 20 0 CCADLP Nc1[nH+]c(N2C[C@H]3COC[C@@H](C2)C3[NH3+])ccc1Cl ZINC001167189215 790689380 /nfs/dbraw/zinc/68/93/80/790689380.db2.gz ZVPRZPJRUSQYGK-OQJHAAMPSA-N 2 2 268.748 0.727 20 0 CCADLP Cc1nnsc1C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167346129 790933682 /nfs/dbraw/zinc/93/36/82/790933682.db2.gz IEAYTZIBGTYVMY-UHFFFAOYSA-N 2 2 294.384 0.408 20 0 CCADLP CC[C@H](C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1)OC ZINC001167346614 790934366 /nfs/dbraw/zinc/93/43/66/790934366.db2.gz QKCAKIMBASPZTL-GFCCVEGCSA-N 2 2 268.361 0.473 20 0 CCADLP CCO[C@@H](C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001167350521 790947825 /nfs/dbraw/zinc/94/78/25/790947825.db2.gz YLKGTCYVIDAXHY-AWEZNQCLSA-N 2 2 294.399 0.863 20 0 CCADLP CCOCC[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167350458 790948369 /nfs/dbraw/zinc/94/83/69/790948369.db2.gz VXNYYKIFLIAGIN-UHFFFAOYSA-N 2 2 254.334 0.085 20 0 CCADLP [NH3+]Cc1ocnc1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000721462539 791107718 /nfs/dbraw/zinc/10/77/18/791107718.db2.gz WKFNYFZEOCONLE-UHFFFAOYSA-N 2 2 264.329 0.444 20 0 CCADLP Cc1noc(C[N@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)n1 ZINC001277594957 805878501 /nfs/dbraw/zinc/87/85/01/805878501.db2.gz RNUQKZLPVFYSGS-STQMWFEESA-N 2 2 279.388 0.588 20 0 CCADLP Cc1noc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)n1 ZINC001277594957 805878509 /nfs/dbraw/zinc/87/85/09/805878509.db2.gz RNUQKZLPVFYSGS-STQMWFEESA-N 2 2 279.388 0.588 20 0 CCADLP Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001204583345 791505504 /nfs/dbraw/zinc/50/55/04/791505504.db2.gz NNMWIOIFSJHKMS-CQSZACIVSA-N 2 2 293.415 0.371 20 0 CCADLP Cc1nn(C)cc1C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001204583345 791505511 /nfs/dbraw/zinc/50/55/11/791505511.db2.gz NNMWIOIFSJHKMS-CQSZACIVSA-N 2 2 293.415 0.371 20 0 CCADLP C[C@@H]1CN(c2ccc(NCc3cc[nH+]c(N)c3)nn2)CC[NH2+]1 ZINC001167613319 791629677 /nfs/dbraw/zinc/62/96/77/791629677.db2.gz JHWIPTMIKOJLCE-LLVKDONJSA-N 2 2 299.382 0.864 20 0 CCADLP c1ncn(-c2ccccc2C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)n1 ZINC001235052165 806353993 /nfs/dbraw/zinc/35/39/93/806353993.db2.gz FCRBEWHJYYGEBS-INIZCTEOSA-N 2 2 298.394 0.405 20 0 CCADLP c1ncn(-c2ccccc2C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)n1 ZINC001235052165 806354003 /nfs/dbraw/zinc/35/40/03/806354003.db2.gz FCRBEWHJYYGEBS-INIZCTEOSA-N 2 2 298.394 0.405 20 0 CCADLP CC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)C1 ZINC001235073474 806369742 /nfs/dbraw/zinc/36/97/42/806369742.db2.gz QXODYGAAVASGPJ-MGPQQGTHSA-N 2 2 251.374 0.681 20 0 CCADLP CC(=O)N1CCC[C@@H](C[N@H+]2CC[C@H]3[NH2+]CC[C@H]32)C1 ZINC001235073474 806369751 /nfs/dbraw/zinc/36/97/51/806369751.db2.gz QXODYGAAVASGPJ-MGPQQGTHSA-N 2 2 251.374 0.681 20 0 CCADLP CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2C[C@@H]2C[NH2+]C(C)(C)O2)O1 ZINC001235481506 806430689 /nfs/dbraw/zinc/43/06/89/806430689.db2.gz BRAXRRWGDNUBBZ-LOWDOPEQSA-N 2 2 297.399 0.031 20 0 CCADLP CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2C[C@@H]2C[NH2+]C(C)(C)O2)O1 ZINC001235481506 806430695 /nfs/dbraw/zinc/43/06/95/806430695.db2.gz BRAXRRWGDNUBBZ-LOWDOPEQSA-N 2 2 297.399 0.031 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+]1CC[C@H]2OCC[C@@H](C(=O)N(C)C)[C@H]2C1 ZINC001235493452 806435455 /nfs/dbraw/zinc/43/54/55/806435455.db2.gz MRPUIOFHXCWLIH-FDYHWXHSSA-N 2 2 269.389 0.149 20 0 CCADLP C[C@@H]([NH3+])C[N@H+]1CC[C@H]2OCC[C@@H](C(=O)N(C)C)[C@H]2C1 ZINC001235493452 806435459 /nfs/dbraw/zinc/43/54/59/806435459.db2.gz MRPUIOFHXCWLIH-FDYHWXHSSA-N 2 2 269.389 0.149 20 0 CCADLP C[NH+]1CCC(C)(C[N@@H+]2CCn3cnc(CO)c3C2)CC1 ZINC001235503980 806437093 /nfs/dbraw/zinc/43/70/93/806437093.db2.gz IVWDKEKQZXMLOW-UHFFFAOYSA-N 2 2 278.400 0.923 20 0 CCADLP C[NH+]1CCC(C)(C[N@H+]2CCn3cnc(CO)c3C2)CC1 ZINC001235503980 806437099 /nfs/dbraw/zinc/43/70/99/806437099.db2.gz IVWDKEKQZXMLOW-UHFFFAOYSA-N 2 2 278.400 0.923 20 0 CCADLP [NH3+]CCS(=O)(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000722233103 806443074 /nfs/dbraw/zinc/44/30/74/806443074.db2.gz XDYOCSWNUYUPTA-UHFFFAOYSA-N 2 2 266.326 0.573 20 0 CCADLP [NH3+]CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cnccn1)C2 ZINC001235574485 806461719 /nfs/dbraw/zinc/46/17/19/806461719.db2.gz NJVKGQLIUGHNOQ-OAHLLOKOSA-N 2 2 289.383 0.363 20 0 CCADLP [NH3+]CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cnccn1)C2 ZINC001235574485 806461722 /nfs/dbraw/zinc/46/17/22/806461722.db2.gz NJVKGQLIUGHNOQ-OAHLLOKOSA-N 2 2 289.383 0.363 20 0 CCADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](CCCO)C[C@H]3C2)cn1 ZINC001235598190 806469023 /nfs/dbraw/zinc/46/90/23/806469023.db2.gz UESFAUPKIRXCOO-CABCVRRESA-N 2 2 278.400 0.556 20 0 CCADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](CCCO)C[C@H]3C2)cn1 ZINC001235598190 806469028 /nfs/dbraw/zinc/46/90/28/806469028.db2.gz UESFAUPKIRXCOO-CABCVRRESA-N 2 2 278.400 0.556 20 0 CCADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](CCCO)C[C@H]3C2)cn1 ZINC001235598190 806469038 /nfs/dbraw/zinc/46/90/38/806469038.db2.gz UESFAUPKIRXCOO-CABCVRRESA-N 2 2 278.400 0.556 20 0 CCADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](CCCO)C[C@H]3C2)cn1 ZINC001235598190 806469042 /nfs/dbraw/zinc/46/90/42/806469042.db2.gz UESFAUPKIRXCOO-CABCVRRESA-N 2 2 278.400 0.556 20 0 CCADLP C[C@H]([NH3+])C[NH+]1CCC2(C[C@H](C(=O)NC3CCC3)CO2)CC1 ZINC001235598678 806469093 /nfs/dbraw/zinc/46/90/93/806469093.db2.gz XQQQQALPOTYVBQ-STQMWFEESA-N 2 2 295.427 0.873 20 0 CCADLP Cc1cnc2n1CC[N@@H+](C)C21CCN(C[C@H](C)[NH3+])CC1 ZINC001235598581 806469946 /nfs/dbraw/zinc/46/99/46/806469946.db2.gz ZWQDVHCMUNCDPZ-LBPRGKRZSA-N 2 2 277.416 0.775 20 0 CCADLP Cc1cnc2n1CC[N@H+](C)C21CCN(C[C@H](C)[NH3+])CC1 ZINC001235598581 806469951 /nfs/dbraw/zinc/46/99/51/806469951.db2.gz ZWQDVHCMUNCDPZ-LBPRGKRZSA-N 2 2 277.416 0.775 20 0 CCADLP COC(=O)[C@H]1CC[C@@H](C)[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001235819640 806505832 /nfs/dbraw/zinc/50/58/32/806505832.db2.gz VEHBSJVINMHMHY-WOPDTQHZSA-N 2 2 270.373 0.984 20 0 CCADLP COC(=O)[C@H]1CC[C@@H](C)[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001235819640 806505842 /nfs/dbraw/zinc/50/58/42/806505842.db2.gz VEHBSJVINMHMHY-WOPDTQHZSA-N 2 2 270.373 0.984 20 0 CCADLP OCC[NH+]1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001236044087 806534101 /nfs/dbraw/zinc/53/41/01/806534101.db2.gz JFNCMFARDABLSM-UHFFFAOYSA-N 2 2 277.372 0.191 20 0 CCADLP CCOC(=O)CC[NH+](CCC(=O)OCC)C[C@@H](C)[NH3+] ZINC001236306646 806564334 /nfs/dbraw/zinc/56/43/34/806564334.db2.gz BDILYVULJWIPSN-LLVKDONJSA-N 2 2 274.361 0.542 20 0 CCADLP COC(=O)[C@H]1CN(Cc2c[nH+]c3ccc(C)cn23)C[C@@H]1[NH3+] ZINC001236341449 806571415 /nfs/dbraw/zinc/57/14/15/806571415.db2.gz ICFZNYSZKRIBNH-STQMWFEESA-N 2 2 288.351 0.575 20 0 CCADLP CO[C@H](C)C[NH2+][C@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001278036273 806625649 /nfs/dbraw/zinc/62/56/49/806625649.db2.gz YUPKAWCXYOKNAV-VXGBXAGGSA-N 2 2 268.361 0.355 20 0 CCADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@@H+]1CC[C@H]1C[NH2+]CCO1 ZINC001237019739 806628363 /nfs/dbraw/zinc/62/83/63/806628363.db2.gz LWKPCHQWDAOKKP-HOTGVXAUSA-N 3 2 275.396 0.751 20 0 CCADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@H+]1CC[C@H]1C[NH2+]CCO1 ZINC001237019739 806628366 /nfs/dbraw/zinc/62/83/66/806628366.db2.gz LWKPCHQWDAOKKP-HOTGVXAUSA-N 3 2 275.396 0.751 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)NCC2=CCCC2)CC1 ZINC001120548665 798860860 /nfs/dbraw/zinc/86/08/60/798860860.db2.gz GFGMVDMKUZBMQB-UHFFFAOYSA-N 2 2 266.389 0.819 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)N2CC[C@H]2C2CC2)CC1 ZINC001120649270 798903087 /nfs/dbraw/zinc/90/30/87/798903087.db2.gz QDRHLLNDMGTXLZ-ZDUSSCGKSA-N 2 2 266.389 0.603 20 0 CCADLP Cc1cc(C)c(C(=O)N2CCO[C@H](C[NH3+])C2)c(C)[nH+]1 ZINC001121931273 799098465 /nfs/dbraw/zinc/09/84/65/799098465.db2.gz JDBCJRYXGPGJDL-GFCCVEGCSA-N 2 2 263.341 0.807 20 0 CCADLP C[C@H]1CCC[N@H+](CCNC(=O)C[C@@H]([NH3+])C(F)F)C1 ZINC001121982255 799113549 /nfs/dbraw/zinc/11/35/49/799113549.db2.gz CUWJAHMTXBOBIH-VHSXEESVSA-N 2 2 263.332 0.817 20 0 CCADLP C[C@H]1CCC[N@@H+](CCNC(=O)C[C@@H]([NH3+])C(F)F)C1 ZINC001121982255 799113550 /nfs/dbraw/zinc/11/35/50/799113550.db2.gz CUWJAHMTXBOBIH-VHSXEESVSA-N 2 2 263.332 0.817 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]([NH3+])C1CC1 ZINC001122254295 799180296 /nfs/dbraw/zinc/18/02/96/799180296.db2.gz ODNSFQSLSXAJJW-CHWSQXEVSA-N 2 2 269.389 0.341 20 0 CCADLP [NH3+]CC[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001122294829 799190283 /nfs/dbraw/zinc/19/02/83/799190283.db2.gz YOLZYQNBFZQNNW-RYUDHWBXSA-N 2 2 262.357 0.643 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC1([NH+](C)C)CC1 ZINC001123808659 799478702 /nfs/dbraw/zinc/47/87/02/799478702.db2.gz IERKIFUHEDVTSC-UHFFFAOYSA-N 2 2 250.346 0.563 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCCc2[nH+]ccn2C)CC[N@@H+]1C ZINC001124015467 799533922 /nfs/dbraw/zinc/53/39/22/799533922.db2.gz YRIISZFYFBSDEJ-NWDGAFQWSA-N 2 2 264.373 0.809 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCCc2[nH+]ccn2C)CC[N@H+]1C ZINC001124015467 799533927 /nfs/dbraw/zinc/53/39/27/799533927.db2.gz YRIISZFYFBSDEJ-NWDGAFQWSA-N 2 2 264.373 0.809 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)nc1 ZINC001124879536 799642834 /nfs/dbraw/zinc/64/28/34/799642834.db2.gz VSSSRCOWVHZBDC-GFCCVEGCSA-N 2 2 277.372 0.085 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)nc1 ZINC001124879536 799642838 /nfs/dbraw/zinc/64/28/38/799642838.db2.gz VSSSRCOWVHZBDC-GFCCVEGCSA-N 2 2 277.372 0.085 20 0 CCADLP C[C@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(=O)OC(C)(C)C ZINC001246159690 807172227 /nfs/dbraw/zinc/17/22/27/807172227.db2.gz ZFSLWWXBYNEQOE-WDEREUQCSA-N 2 2 269.389 0.400 20 0 CCADLP COCCC[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001203051853 799925091 /nfs/dbraw/zinc/92/50/91/799925091.db2.gz IWIHYTIYGHVZPS-UHFFFAOYSA-N 2 2 280.372 0.569 20 0 CCADLP CCN(C(=O)CCn1cc[nH+]c1)[C@@H]1CCC[NH2+]C1 ZINC000037541140 799989939 /nfs/dbraw/zinc/98/99/39/799989939.db2.gz PZYAIHUIVUMJEY-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP COC[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001161215025 800026525 /nfs/dbraw/zinc/02/65/25/800026525.db2.gz KVCAODAMERBWPZ-OLZOCXBDSA-N 2 2 294.399 0.576 20 0 CCADLP CCOCC[NH2+]CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001161215246 800028819 /nfs/dbraw/zinc/02/88/19/800028819.db2.gz OHHGLOUASJVJRJ-ZDUSSCGKSA-N 2 2 294.399 0.578 20 0 CCADLP CCc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001151066966 800393608 /nfs/dbraw/zinc/39/36/08/800393608.db2.gz ZHTXNYJGNXVKLS-MNOVXSKESA-N 2 2 295.387 0.351 20 0 CCADLP CCc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001151066966 800393616 /nfs/dbraw/zinc/39/36/16/800393616.db2.gz ZHTXNYJGNXVKLS-MNOVXSKESA-N 2 2 295.387 0.351 20 0 CCADLP O=C(C[NH+]1CCCC1)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001151114003 800401082 /nfs/dbraw/zinc/40/10/82/800401082.db2.gz FEVVMFQCKKKTFV-UHFFFAOYSA-N 2 2 293.371 0.249 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001151147520 800404253 /nfs/dbraw/zinc/40/42/53/800404253.db2.gz QHJSGSAVNDRINN-UHFFFAOYSA-N 2 2 288.355 0.196 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CCOCC1CCC1 ZINC001153496154 800635381 /nfs/dbraw/zinc/63/53/81/800635381.db2.gz SYMKOCKGGOIWJY-UHFFFAOYSA-N 2 2 280.372 0.406 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH2+]CCNC(=O)Cn2cc[nH+]c2)O1 ZINC001153496310 800635763 /nfs/dbraw/zinc/63/57/63/800635763.db2.gz ZERKPBXJBLHSEF-NEPJUHHUSA-N 2 2 266.345 0.156 20 0 CCADLP Cc1ccc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2)c(C)n1 ZINC001153487955 800635794 /nfs/dbraw/zinc/63/57/94/800635794.db2.gz VSNNXWPVMHAPLR-UHFFFAOYSA-N 2 2 287.367 0.801 20 0 CCADLP CC[N@H+](Cc1nonc1C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155000219 800888283 /nfs/dbraw/zinc/88/82/83/800888283.db2.gz YCBZXYWYXVBMGG-LLVKDONJSA-N 2 2 297.403 0.656 20 0 CCADLP CC[N@@H+](Cc1nonc1C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155000219 800888288 /nfs/dbraw/zinc/88/82/88/800888288.db2.gz YCBZXYWYXVBMGG-LLVKDONJSA-N 2 2 297.403 0.656 20 0 CCADLP COC(=O)[C@@H]([NH3+])C1CCN(c2ccc(N)c[nH+]2)CC1 ZINC001155153406 800920008 /nfs/dbraw/zinc/92/00/08/800920008.db2.gz DTJDEESNONQQMU-LBPRGKRZSA-N 2 2 264.329 0.381 20 0 CCADLP C[N@@H+]1CCO[C@H](CNc2ccc(N3CC[NH2+]CC3)cn2)C1 ZINC001155196975 800929087 /nfs/dbraw/zinc/92/90/87/800929087.db2.gz HITUFGJQSMBKJR-CQSZACIVSA-N 2 2 291.399 0.234 20 0 CCADLP C[N@H+]1CCO[C@H](CNc2ccc(N3CC[NH2+]CC3)cn2)C1 ZINC001155196975 800929091 /nfs/dbraw/zinc/92/90/91/800929091.db2.gz HITUFGJQSMBKJR-CQSZACIVSA-N 2 2 291.399 0.234 20 0 CCADLP C[N@@H+]1CCO[C@H](CNc2cccc(N3CCOCC3)[nH+]2)C1 ZINC001155197534 800929579 /nfs/dbraw/zinc/92/95/79/800929579.db2.gz OZBTUXSUXNVOPQ-CYBMUJFWSA-N 2 2 292.383 0.661 20 0 CCADLP C[N@H+]1CCO[C@H](CNc2cccc(N3CCOCC3)[nH+]2)C1 ZINC001155197534 800929582 /nfs/dbraw/zinc/92/95/82/800929582.db2.gz OZBTUXSUXNVOPQ-CYBMUJFWSA-N 2 2 292.383 0.661 20 0 CCADLP CC[N@H+](CCO)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001155321498 800950578 /nfs/dbraw/zinc/95/05/78/800950578.db2.gz RAGZWKBHCCRRLI-JHJVBQTASA-N 2 2 294.399 0.343 20 0 CCADLP CC[N@@H+](CCO)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001155321498 800950582 /nfs/dbraw/zinc/95/05/82/800950582.db2.gz RAGZWKBHCCRRLI-JHJVBQTASA-N 2 2 294.399 0.343 20 0 CCADLP c1nc2c(c(NCC[NH+]3CCSCC3)n1)C[NH2+]C2 ZINC001157043254 801290814 /nfs/dbraw/zinc/29/08/14/801290814.db2.gz HVPNCZGUNQKPNS-UHFFFAOYSA-N 2 2 265.386 0.541 20 0 CCADLP C[C@@H](O)CCC[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157265815 801336212 /nfs/dbraw/zinc/33/62/12/801336212.db2.gz YLXGMVFOVUNYRI-GFCCVEGCSA-N 2 2 282.388 0.599 20 0 CCADLP [NH3+]Cc1cc(N[C@@H]2CCC[N@@H+](C3COC3)C2)ncn1 ZINC001157582257 801427618 /nfs/dbraw/zinc/42/76/18/801427618.db2.gz BEFKRCNNVMVJBR-SNVBAGLBSA-N 2 2 263.345 0.210 20 0 CCADLP [NH3+]Cc1cc(N[C@@H]2CCC[N@H+](C3COC3)C2)ncn1 ZINC001157582257 801427623 /nfs/dbraw/zinc/42/76/23/801427623.db2.gz BEFKRCNNVMVJBR-SNVBAGLBSA-N 2 2 263.345 0.210 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC(F)(F)CC1 ZINC001157708028 801461102 /nfs/dbraw/zinc/46/11/02/801461102.db2.gz GCGOUPFPWUCZHO-SNVBAGLBSA-N 2 2 272.299 0.927 20 0 CCADLP [NH3+]C[C@@]1(F)CCCN(C(=O)c2cnc3n2CC[NH2+]C3)CC1 ZINC001157774763 801480431 /nfs/dbraw/zinc/48/04/31/801480431.db2.gz ZDUWRVXSWFMCBX-CQSZACIVSA-N 2 2 295.362 0.279 20 0 CCADLP C[C@H]1CCCCN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001157780766 801483066 /nfs/dbraw/zinc/48/30/66/801483066.db2.gz JJWORPSAUKMNAJ-CMPLNLGQSA-N 2 2 250.346 0.928 20 0 CCADLP C[NH+]1CCN(c2cccc(N3CC[C@@](F)(C[NH3+])C3)[nH+]2)CC1 ZINC001157818037 801495556 /nfs/dbraw/zinc/49/55/56/801495556.db2.gz PDQNTQUTXFRKCQ-OAHLLOKOSA-N 3 2 293.390 0.711 20 0 CCADLP CC(=O)Nc1c(C)ccnc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001157915847 801521186 /nfs/dbraw/zinc/52/11/86/801521186.db2.gz XLZHOHGSINIJSG-UHFFFAOYSA-N 2 2 290.371 0.942 20 0 CCADLP COc1cc(NC(=[NH2+])N2CC[NH+](C)CC2)nc(SC)n1 ZINC001157915253 801521309 /nfs/dbraw/zinc/52/13/09/801521309.db2.gz NGRQWLGOGOHSLN-UHFFFAOYSA-N 2 2 296.400 0.801 20 0 CCADLP CC1(C)CN(C(=O)C2([NH3+])CC[NH2+]CC2)[C@@](C)(CO)C1 ZINC001157926531 801523883 /nfs/dbraw/zinc/52/38/83/801523883.db2.gz QGYNUYHPTAVIAC-CYBMUJFWSA-N 2 2 269.389 0.077 20 0 CCADLP C[C@]1(F)CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C[C@@H]1F ZINC001157923964 801524599 /nfs/dbraw/zinc/52/45/99/801524599.db2.gz GZOGEKPFGZETCX-CULRXLKQSA-N 2 2 273.327 0.507 20 0 CCADLP [NH3+]C1(C(=O)N2CCC(OC3CCC3)CC2)CC[NH2+]CC1 ZINC001157960931 801540331 /nfs/dbraw/zinc/54/03/31/801540331.db2.gz TWJKSPAWAGYHIC-UHFFFAOYSA-N 2 2 281.400 0.627 20 0 CCADLP O=C(N1C[C@H]2[C@H](CC2(F)F)C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001158192601 801588073 /nfs/dbraw/zinc/58/80/73/801588073.db2.gz AJGAFSXFGQDACQ-SVDPJWKOSA-N 2 2 271.311 0.052 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nnc(Cl)cc1Cl ZINC001158204340 801593055 /nfs/dbraw/zinc/59/30/55/801593055.db2.gz XICSBQPKTAJXRB-ZCFIWIBFSA-N 2 2 288.138 0.831 20 0 CCADLP COC(=O)c1cc(C)cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158206261 801594103 /nfs/dbraw/zinc/59/41/03/801594103.db2.gz GOJPCMMNUIJLSV-SNVBAGLBSA-N 2 2 290.323 0.224 20 0 CCADLP Cc1cc2nccc-2c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)[nH]1 ZINC001158206423 801594242 /nfs/dbraw/zinc/59/42/42/801594242.db2.gz NUCSSQXJUWWQSE-SNVBAGLBSA-N 2 2 271.324 0.919 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3cnc4cc[nH]c4n3)CC2)C1 ZINC001158257901 801607062 /nfs/dbraw/zinc/60/70/62/801607062.db2.gz LISLSOVCGIPNNA-LLVKDONJSA-N 2 2 286.383 0.960 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](C2CCN(c3cnc4cc[nH]c4n3)CC2)C1 ZINC001158257901 801607066 /nfs/dbraw/zinc/60/70/66/801607066.db2.gz LISLSOVCGIPNNA-LLVKDONJSA-N 2 2 286.383 0.960 20 0 CCADLP COc1ncc(F)c(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158262720 801610141 /nfs/dbraw/zinc/61/01/41/801610141.db2.gz USSTYSXVFJOQRB-SNVBAGLBSA-N 2 2 295.362 0.626 20 0 CCADLP COc1ncc(F)c(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158262720 801610143 /nfs/dbraw/zinc/61/01/43/801610143.db2.gz USSTYSXVFJOQRB-SNVBAGLBSA-N 2 2 295.362 0.626 20 0 CCADLP CN(C)c1cc(NCc2ncn3c2C[NH2+]CCC3)[nH+]cn1 ZINC001158356107 801625250 /nfs/dbraw/zinc/62/52/50/801625250.db2.gz LVACQJCQHLYGJN-UHFFFAOYSA-N 2 2 287.371 0.845 20 0 CCADLP CN(C)c1cc(NCc2ncn3c2C[NH2+]CCC3)nc[nH+]1 ZINC001158356107 801625255 /nfs/dbraw/zinc/62/52/55/801625255.db2.gz LVACQJCQHLYGJN-UHFFFAOYSA-N 2 2 287.371 0.845 20 0 CCADLP [NH3+]C1(C(=O)N2CCc3onc(Cn4cc[nH+]c4)c3C2)CC1 ZINC001158822420 801709555 /nfs/dbraw/zinc/70/95/55/801709555.db2.gz XAHIOJWWFVCQLY-UHFFFAOYSA-N 2 2 287.323 0.295 20 0 CCADLP Cc1nc(-n2cncn2)cc(N[C@H](C)[C@H]2C[NH2+]CCO2)[nH+]1 ZINC001159503123 801828133 /nfs/dbraw/zinc/82/81/33/801828133.db2.gz TYPPULOWNLHHEX-MWLCHTKSSA-N 2 2 289.343 0.155 20 0 CCADLP Cc1nc(-n2cncn2)cc(N[C@H](C)[C@@H]2C[NH2+]CCO2)[nH+]1 ZINC001159503122 801828749 /nfs/dbraw/zinc/82/87/49/801828749.db2.gz TYPPULOWNLHHEX-KOLCDFICSA-N 2 2 289.343 0.155 20 0 CCADLP [NH3+]C1(C(=O)N(CCO)Cc2cccs2)CC[NH2+]CC1 ZINC001160443433 801941268 /nfs/dbraw/zinc/94/12/68/801941268.db2.gz JGBZRGXCCUMOSJ-UHFFFAOYSA-N 2 2 283.397 0.150 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C1 ZINC001160476196 801948079 /nfs/dbraw/zinc/94/80/79/801948079.db2.gz CHLGNVXIKHLOAY-UTUOFQBUSA-N 2 2 297.399 0.256 20 0 CCADLP Cc1nc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)cc(N(C)C)[nH+]1 ZINC001160510012 801953350 /nfs/dbraw/zinc/95/33/50/801953350.db2.gz DCXYUZLPRMFKGB-OAHLLOKOSA-N 3 2 290.415 0.686 20 0 CCADLP Cc1c[nH+]c(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)cc1N ZINC001160512376 801956497 /nfs/dbraw/zinc/95/64/97/801956497.db2.gz ARIOKJZUXKRSAV-CQSZACIVSA-N 3 2 261.373 0.807 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC(c3ccccn3)CC2)C1 ZINC001160530846 801962986 /nfs/dbraw/zinc/96/29/86/801962986.db2.gz QQFNSOSONUZTPZ-OCCSQVGLSA-N 2 2 274.368 0.477 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCO[C@@H](c3ccccc3)C2)C1 ZINC001160531283 801963350 /nfs/dbraw/zinc/96/33/50/801963350.db2.gz YGAQWROLFJJXIW-HZSPNIEDSA-N 2 2 275.352 0.276 20 0 CCADLP CN(CCc1ccc(F)cc1)C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001160591508 801977559 /nfs/dbraw/zinc/97/75/59/801977559.db2.gz ZEGTXRNHARXEBX-AEGPPILISA-N 2 2 291.370 0.777 20 0 CCADLP C[C@H]1CC(=O)CCN1C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001160642508 801987920 /nfs/dbraw/zinc/98/79/20/801987920.db2.gz KFYKSYSUEXDLPC-IINYFYTJSA-N 2 2 275.352 0.839 20 0 CCADLP CC(C)[C@@H]1COCCN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001160670089 801995550 /nfs/dbraw/zinc/99/55/50/801995550.db2.gz RQPPKNSXENIRKY-NMKXLXIOSA-N 2 2 267.373 0.092 20 0 CCADLP COC(CN(C)C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)OC ZINC001160686029 801999783 /nfs/dbraw/zinc/99/97/83/801999783.db2.gz MGOOLSGATZCZIC-GFCCVEGCSA-N 2 2 281.356 0.336 20 0 CCADLP [NH3+][C@H](C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)C1CC[NH2+]CC1 ZINC001160692851 802004156 /nfs/dbraw/zinc/00/41/56/802004156.db2.gz FYKHLMFOBWWOAW-STQMWFEESA-N 3 2 291.399 0.443 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC001160706253 802007502 /nfs/dbraw/zinc/00/75/02/802007502.db2.gz ZNVJEEOFPIZNQT-BDAKNGLRSA-N 2 2 292.261 0.069 20 0 CCADLP [NH3+][C@@H](C(=O)N1CCC(n2cc[nH+]c2)CC1)C1CC[NH2+]CC1 ZINC001160726579 802012463 /nfs/dbraw/zinc/01/24/63/802012463.db2.gz QCTKPQGWVQLCML-CQSZACIVSA-N 3 2 291.399 0.374 20 0 CCADLP COC(=O)C[C@@H]1CCCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001160834021 802025397 /nfs/dbraw/zinc/02/53/97/802025397.db2.gz XNEZSRHHQZKMTK-YFCNSXCBSA-N 2 2 295.383 0.010 20 0 CCADLP COCC[NH2+]CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001161214801 802109290 /nfs/dbraw/zinc/10/92/90/802109290.db2.gz HAYPXLXTWLCLSC-GFCCVEGCSA-N 2 2 280.372 0.188 20 0 CCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCCC[NH2+]CCF)C2 ZINC001161324097 802126509 /nfs/dbraw/zinc/12/65/09/802126509.db2.gz UDSWGBXCWSRMRH-NSHDSACASA-N 2 2 282.363 0.888 20 0 CCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCCC[NH2+]CCF)CC2 ZINC001161324097 802126513 /nfs/dbraw/zinc/12/65/13/802126513.db2.gz UDSWGBXCWSRMRH-NSHDSACASA-N 2 2 282.363 0.888 20 0 CCADLP C[NH+]1CCC(N(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C2CCCC2)CC1 ZINC001161453527 802156979 /nfs/dbraw/zinc/15/69/79/802156979.db2.gz HVDDZAOLTFPVJV-DOMZBBRYSA-N 3 2 294.443 0.541 20 0 CCADLP C[NH2+]CCC(=O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001161471017 802159558 /nfs/dbraw/zinc/15/95/58/802159558.db2.gz LXQCQQGUBXQYKY-LLVKDONJSA-N 2 2 275.343 0.928 20 0 CCADLP C[C@@H](C[NH3+])C(=O)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001161472754 802159644 /nfs/dbraw/zinc/15/96/44/802159644.db2.gz YKQVWHAXDDYWQP-QWRGUYRKSA-N 2 2 275.343 0.913 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCc2cc(F)c(F)cc2C1 ZINC001161515380 802168315 /nfs/dbraw/zinc/16/83/15/802168315.db2.gz ZSKTVXAXGRMZFN-GWCFXTLKSA-N 2 2 281.306 0.396 20 0 CCADLP CN1CC[NH+](CCCNc2cc(N)c(F)c[nH+]2)CC1 ZINC001161704010 802204148 /nfs/dbraw/zinc/20/41/48/802204148.db2.gz WVLIBGQFHZVJBR-UHFFFAOYSA-N 2 2 267.352 0.852 20 0 CCADLP C[NH+]1CCN(CCCNc2cc(N)c(F)c[nH+]2)CC1 ZINC001161704010 802204155 /nfs/dbraw/zinc/20/41/55/802204155.db2.gz WVLIBGQFHZVJBR-UHFFFAOYSA-N 2 2 267.352 0.852 20 0 CCADLP COC(=O)c1nccnc1NCC[NH+]1CCC([NH3+])CC1 ZINC001161867687 802234196 /nfs/dbraw/zinc/23/41/96/802234196.db2.gz WQVLCWUZPRUDRU-UHFFFAOYSA-N 2 2 279.344 0.098 20 0 CCADLP COC(=O)c1[nH+]ccc(N[C@@H](C)CN2CC[NH2+]CC2)c1C ZINC001162098104 802275583 /nfs/dbraw/zinc/27/55/83/802275583.db2.gz FJTOHZCGSUOQSZ-NSHDSACASA-N 2 2 292.383 0.304 20 0 CCADLP CN1CCOc2c1cn[nH+]c2NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001162475881 802345570 /nfs/dbraw/zinc/34/55/70/802345570.db2.gz IEFYBVUXHCNLTP-IUCAKERBSA-N 2 2 267.308 0.417 20 0 CCADLP C[C@@H]1C[C@@H](CNc2ncnc3c2C[N@H+](C)CC3)C[NH2+]1 ZINC001162558701 802370003 /nfs/dbraw/zinc/37/00/03/802370003.db2.gz YXPIXNSIIJYHFT-GHMZBOCLSA-N 2 2 261.373 0.874 20 0 CCADLP C[C@@H]1C[C@@H](CNc2ncnc3c2C[N@@H+](C)CC3)C[NH2+]1 ZINC001162558701 802370006 /nfs/dbraw/zinc/37/00/06/802370006.db2.gz YXPIXNSIIJYHFT-GHMZBOCLSA-N 2 2 261.373 0.874 20 0 CCADLP C1=C[C@H](Nc2cc(N3CCOCC3)nc[nH+]2)[C@@H]2C[NH2+]C[C@H]12 ZINC001162789452 802416553 /nfs/dbraw/zinc/41/65/53/802416553.db2.gz FPZPFCYBPCJPMH-XQQFMLRXSA-N 2 2 287.367 0.499 20 0 CCADLP C1=C[C@H](Nc2cc(N3CCOCC3)[nH+]cn2)[C@@H]2C[NH2+]C[C@H]12 ZINC001162789452 802416557 /nfs/dbraw/zinc/41/65/57/802416557.db2.gz FPZPFCYBPCJPMH-XQQFMLRXSA-N 2 2 287.367 0.499 20 0 CCADLP Nc1[nH+]ccc(F)c1NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001163153162 802495596 /nfs/dbraw/zinc/49/55/96/802495596.db2.gz IVVUKDDWFXTCDA-UFBFGSQYSA-N 2 2 252.293 0.451 20 0 CCADLP c1cn2ccc(NC[C@]34C[NH2+]C[C@H]3COC4)cc2[nH+]1 ZINC001163154638 802496380 /nfs/dbraw/zinc/49/63/80/802496380.db2.gz XZTPBEMFBHMLRP-FZMZJTMJSA-N 2 2 258.325 0.982 20 0 CCADLP O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ccn3cc[nH+]c3c2)N1 ZINC001163241457 802514022 /nfs/dbraw/zinc/51/40/22/802514022.db2.gz NSYKDCQRLJJZLU-ZWNOBZJWSA-N 2 2 257.297 0.324 20 0 CCADLP O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ccc(Cn3cc[nH+]c3)cc2)N1 ZINC001163252215 802519145 /nfs/dbraw/zinc/51/91/45/802519145.db2.gz UPWKKRYLNUJXSN-GDBMZVCRSA-N 2 2 297.362 0.921 20 0 CCADLP Cc1noc(C[NH2+]CCCNC(=O)CCn2cc[nH+]c2)n1 ZINC001163588225 802573016 /nfs/dbraw/zinc/57/30/16/802573016.db2.gz FOPBSAPFEXQYTI-UHFFFAOYSA-N 2 2 292.343 0.261 20 0 CCADLP Cc1ncc(C[NH2+]CCCNC(=O)CCn2cc[nH+]c2)o1 ZINC001163594295 802574588 /nfs/dbraw/zinc/57/45/88/802574588.db2.gz VHHCBVLCBWUVEV-UHFFFAOYSA-N 2 2 291.355 0.866 20 0 CCADLP FCC[NH+]1CCN(c2ccc(N3CC[NH2+]CC3)cn2)CC1 ZINC001165105169 802782778 /nfs/dbraw/zinc/78/27/78/802782778.db2.gz QVPAHFKMNARWRZ-UHFFFAOYSA-N 2 2 293.390 0.583 20 0 CCADLP Cc1[nH+]c2c(n1-c1ncnc3c1CC[NH2+]CC3)CC[NH2+]CC2 ZINC001165352511 802825831 /nfs/dbraw/zinc/82/58/31/802825831.db2.gz WYSCSNCYHMUILN-UHFFFAOYSA-N 3 2 298.394 0.347 20 0 CCADLP c1nc(N2CCC[C@@H]3[NH2+]C[C@@H]32)cc(N2CCOCC2)[nH+]1 ZINC001165387678 802833175 /nfs/dbraw/zinc/83/31/75/802833175.db2.gz QRZRWPITRBDHOI-RYUDHWBXSA-N 2 2 275.356 0.254 20 0 CCADLP c1nc(N2CCC[C@H]3[NH2+]C[C@H]32)cc(N2CCOCC2)[nH+]1 ZINC001165387680 802833306 /nfs/dbraw/zinc/83/33/06/802833306.db2.gz QRZRWPITRBDHOI-VXGBXAGGSA-N 2 2 275.356 0.254 20 0 CCADLP C[C@@H](O)C[NH2+]CC1(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001166474091 802907735 /nfs/dbraw/zinc/90/77/35/802907735.db2.gz JHRLUQHCVZQNPM-CYBMUJFWSA-N 2 2 294.399 0.530 20 0 CCADLP CCN(C)c1cc[nH+]c(N2CCC([NH3+])(C(=O)OC)CC2)n1 ZINC001166794482 802961877 /nfs/dbraw/zinc/96/18/77/802961877.db2.gz CUKCKRMYAIDTGB-UHFFFAOYSA-N 2 2 293.371 0.403 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925847990 812451131 /nfs/dbraw/zinc/45/11/31/812451131.db2.gz XOJOSTPBXSFOJY-HUUCEWRRSA-N 3 2 268.449 0.650 20 0 CCADLP COCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001166961948 802996425 /nfs/dbraw/zinc/99/64/25/802996425.db2.gz TYTYUWNCBVLDMK-VXGBXAGGSA-N 2 2 280.372 0.266 20 0 CCADLP [NH3+][C@H]1CCN(c2[nH+]ccc3c2NC(=O)CO3)CC1(F)F ZINC001166962744 802997879 /nfs/dbraw/zinc/99/78/79/802997879.db2.gz XMAQZVXXAIIQJP-QMMMGPOBSA-N 2 2 284.266 0.585 20 0 CCADLP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2ncc(F)cn2)CC1 ZINC001205249666 803131156 /nfs/dbraw/zinc/13/11/56/803131156.db2.gz YLWKCAXUXLRWLJ-GFCCVEGCSA-N 2 2 254.309 0.291 20 0 CCADLP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ncc(F)cn2)CC1 ZINC001205249666 803131161 /nfs/dbraw/zinc/13/11/61/803131161.db2.gz YLWKCAXUXLRWLJ-GFCCVEGCSA-N 2 2 254.309 0.291 20 0 CCADLP CSc1nccc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)n1 ZINC001205681282 803154862 /nfs/dbraw/zinc/15/48/62/803154862.db2.gz HUBHQRJOSKHSST-CYBMUJFWSA-N 2 2 282.413 0.874 20 0 CCADLP CSc1nccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)n1 ZINC001205681282 803154865 /nfs/dbraw/zinc/15/48/65/803154865.db2.gz HUBHQRJOSKHSST-CYBMUJFWSA-N 2 2 282.413 0.874 20 0 CCADLP COc1cnc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)cn1 ZINC001205687854 803156683 /nfs/dbraw/zinc/15/66/83/803156683.db2.gz BETGPACPKVLRSP-CYBMUJFWSA-N 2 2 266.345 0.161 20 0 CCADLP COc1cnc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)cn1 ZINC001205687854 803156687 /nfs/dbraw/zinc/15/66/87/803156687.db2.gz BETGPACPKVLRSP-CYBMUJFWSA-N 2 2 266.345 0.161 20 0 CCADLP CC(C)(C)c1n[nH]cc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205953354 803190776 /nfs/dbraw/zinc/19/07/76/803190776.db2.gz VKKRLNCZUZJDQA-GHMZBOCLSA-N 2 2 252.362 0.601 20 0 CCADLP CC(C)(C)c1n[nH]cc1C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205953354 803190781 /nfs/dbraw/zinc/19/07/81/803190781.db2.gz VKKRLNCZUZJDQA-GHMZBOCLSA-N 2 2 252.362 0.601 20 0 CCADLP COc1ncc(C[N@H+]2CCc3[nH+]ccn3CC2)cn1 ZINC001206417900 803239134 /nfs/dbraw/zinc/23/91/34/803239134.db2.gz FOAXCPJAOSQPSK-UHFFFAOYSA-N 2 2 259.313 0.740 20 0 CCADLP COc1ncc(C[N@@H+]2CCc3[nH+]ccn3CC2)cn1 ZINC001206417900 803239140 /nfs/dbraw/zinc/23/91/40/803239140.db2.gz FOAXCPJAOSQPSK-UHFFFAOYSA-N 2 2 259.313 0.740 20 0 CCADLP Cc1cccn2c(C[N@@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)cnc12 ZINC001206464583 803247404 /nfs/dbraw/zinc/24/74/04/803247404.db2.gz QQGNUKGMYLRDOZ-WCQYABFASA-N 2 2 260.341 0.394 20 0 CCADLP Cc1cccn2c(C[N@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)cnc12 ZINC001206464583 803247408 /nfs/dbraw/zinc/24/74/08/803247408.db2.gz QQGNUKGMYLRDOZ-WCQYABFASA-N 2 2 260.341 0.394 20 0 CCADLP COc1cc(C)c(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cn1 ZINC001206480548 803250591 /nfs/dbraw/zinc/25/05/91/803250591.db2.gz BKPZNRGUYXFEQS-CMPLNLGQSA-N 2 2 251.330 0.150 20 0 CCADLP COc1cc(C)c(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cn1 ZINC001206480548 803250597 /nfs/dbraw/zinc/25/05/97/803250597.db2.gz BKPZNRGUYXFEQS-CMPLNLGQSA-N 2 2 251.330 0.150 20 0 CCADLP CC(C)Oc1cncc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206491288 803253418 /nfs/dbraw/zinc/25/34/18/803253418.db2.gz JIYIHWUWIXDCCN-GXTWGEPZSA-N 2 2 265.357 0.620 20 0 CCADLP CC(C)Oc1cncc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206491288 803253425 /nfs/dbraw/zinc/25/34/25/803253425.db2.gz JIYIHWUWIXDCCN-GXTWGEPZSA-N 2 2 265.357 0.620 20 0 CCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)nc1C ZINC001206490404 803253908 /nfs/dbraw/zinc/25/39/08/803253908.db2.gz BKLDICMMORVYDF-CMPLNLGQSA-N 2 2 251.330 0.150 20 0 CCADLP COc1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)nc1C ZINC001206490404 803253916 /nfs/dbraw/zinc/25/39/16/803253916.db2.gz BKLDICMMORVYDF-CMPLNLGQSA-N 2 2 251.330 0.150 20 0 CCADLP COc1ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(OC)c1OC ZINC001206513013 803255927 /nfs/dbraw/zinc/25/59/27/803255927.db2.gz XAIOFOUVRHLWRK-RYUDHWBXSA-N 2 2 296.367 0.464 20 0 CCADLP COc1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(OC)c1OC ZINC001206513013 803255930 /nfs/dbraw/zinc/25/59/30/803255930.db2.gz XAIOFOUVRHLWRK-RYUDHWBXSA-N 2 2 296.367 0.464 20 0 CCADLP COCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206920599 803308216 /nfs/dbraw/zinc/30/82/16/803308216.db2.gz WNEHCHRQNZZNNZ-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP COCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206920599 803308220 /nfs/dbraw/zinc/30/82/20/803308220.db2.gz WNEHCHRQNZZNNZ-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001207550781 803418236 /nfs/dbraw/zinc/41/82/36/803418236.db2.gz JGBUJBFLHWPZRQ-RAIGVLPGSA-N 2 2 271.380 0.733 20 0 CCADLP C[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001207550781 803418239 /nfs/dbraw/zinc/41/82/39/803418239.db2.gz JGBUJBFLHWPZRQ-RAIGVLPGSA-N 2 2 271.380 0.733 20 0 CCADLP CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001208609830 803528136 /nfs/dbraw/zinc/52/81/36/803528136.db2.gz NIYPDDJBWOLQPL-SQWLQELKSA-N 2 2 295.427 0.555 20 0 CCADLP CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](C[C@H]1CCC[NH+](C)C1)C2 ZINC001208609830 803528141 /nfs/dbraw/zinc/52/81/41/803528141.db2.gz NIYPDDJBWOLQPL-SQWLQELKSA-N 2 2 295.427 0.555 20 0 CCADLP CNC(=O)[C@@]12CCO[C@@H]1CC[NH+](C[C@H]1CCC[N@H+](C)C1)C2 ZINC001208609830 803528143 /nfs/dbraw/zinc/52/81/43/803528143.db2.gz NIYPDDJBWOLQPL-SQWLQELKSA-N 2 2 295.427 0.555 20 0 CCADLP CNC(=O)[C@@]12CCO[C@@H]1CC[NH+](C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001208609830 803528148 /nfs/dbraw/zinc/52/81/48/803528148.db2.gz NIYPDDJBWOLQPL-SQWLQELKSA-N 2 2 295.427 0.555 20 0 CCADLP CCOC(=O)C1=C(O)CC[N@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208607964 803529434 /nfs/dbraw/zinc/52/94/34/803529434.db2.gz OKEXXLIBJKOEAW-CHWSQXEVSA-N 2 2 282.384 0.782 20 0 CCADLP CCOC(=O)C1=C(O)CC[N@@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208607964 803529436 /nfs/dbraw/zinc/52/94/36/803529436.db2.gz OKEXXLIBJKOEAW-CHWSQXEVSA-N 2 2 282.384 0.782 20 0 CCADLP CCOC(=O)C1=C(O)CC[NH+](C[C@@H]2CCC[N@H+](C)C2)C1 ZINC001208607964 803529437 /nfs/dbraw/zinc/52/94/37/803529437.db2.gz OKEXXLIBJKOEAW-CHWSQXEVSA-N 2 2 282.384 0.782 20 0 CCADLP CCOC(=O)C1=C(O)CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001208607964 803529438 /nfs/dbraw/zinc/52/94/38/803529438.db2.gz OKEXXLIBJKOEAW-CHWSQXEVSA-N 2 2 282.384 0.782 20 0 CCADLP C[C@H](CC(=O)N[C@@H]1C[N@@H+](CCO)C[C@H]1C)n1cc[nH+]c1 ZINC001208994638 803561997 /nfs/dbraw/zinc/56/19/97/803561997.db2.gz CXAFBQPMAHGDNZ-JHJVBQTASA-N 2 2 280.372 0.263 20 0 CCADLP CCN(CC[NH+]1CCCC1)CC[NH+]1CCOCC1 ZINC001209294860 803583800 /nfs/dbraw/zinc/58/38/00/803583800.db2.gz LKNULUASUUBAFQ-UHFFFAOYSA-N 2 2 255.406 0.736 20 0 CCADLP C(C[NH+]1CCOCC1)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001209292169 803588652 /nfs/dbraw/zinc/58/86/52/803588652.db2.gz LWTNCZRPUYLYSP-IYBDPMFKSA-N 2 2 295.427 0.114 20 0 CCADLP C(C[NH+]1CCOCC1)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001209292169 803588657 /nfs/dbraw/zinc/58/86/57/803588657.db2.gz LWTNCZRPUYLYSP-IYBDPMFKSA-N 2 2 295.427 0.114 20 0 CCADLP CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2c[nH+]ccc2N)O1 ZINC001209727340 803624499 /nfs/dbraw/zinc/62/44/99/803624499.db2.gz VYDDEAOIMPYBRW-MCIONIFRSA-N 2 2 290.367 0.314 20 0 CCADLP CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2c[nH+]ccc2N)O1 ZINC001209727340 803624504 /nfs/dbraw/zinc/62/45/04/803624504.db2.gz VYDDEAOIMPYBRW-MCIONIFRSA-N 2 2 290.367 0.314 20 0 CCADLP CC(=O)N1CCC([N@H+](C)Cc2c[nH+]ccc2N)CC1 ZINC001209731239 803625362 /nfs/dbraw/zinc/62/53/62/803625362.db2.gz QKARAFYOLMABMU-UHFFFAOYSA-N 2 2 262.357 0.937 20 0 CCADLP CC(=O)N1CCC([N@@H+](C)Cc2c[nH+]ccc2N)CC1 ZINC001209731239 803625365 /nfs/dbraw/zinc/62/53/65/803625365.db2.gz QKARAFYOLMABMU-UHFFFAOYSA-N 2 2 262.357 0.937 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001210304745 803647029 /nfs/dbraw/zinc/64/70/29/803647029.db2.gz PKDBCOQYLHXKEN-VXGBXAGGSA-N 2 2 280.372 0.568 20 0 CCADLP CC(C)(C)OC(=O)NCCCC[N@@H+]1CC[NH2+]C[C@H](O)C1 ZINC001210399425 803649033 /nfs/dbraw/zinc/64/90/33/803649033.db2.gz KLLRKAJVWUKQFJ-LBPRGKRZSA-N 2 2 287.404 0.557 20 0 CCADLP CC(C)(C)OC(=O)NCCCC[N@H+]1CC[NH2+]C[C@H](O)C1 ZINC001210399425 803649034 /nfs/dbraw/zinc/64/90/34/803649034.db2.gz KLLRKAJVWUKQFJ-LBPRGKRZSA-N 2 2 287.404 0.557 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccon2)C[C@H]1C ZINC001211369469 803678502 /nfs/dbraw/zinc/67/85/02/803678502.db2.gz JAUTVRGMEHBHKV-TZMCWYRMSA-N 2 2 294.399 0.951 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccon2)C[C@H]1C ZINC001211369469 803678505 /nfs/dbraw/zinc/67/85/05/803678505.db2.gz JAUTVRGMEHBHKV-TZMCWYRMSA-N 2 2 294.399 0.951 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccon2)C[C@H]1C ZINC001211369469 803678510 /nfs/dbraw/zinc/67/85/10/803678510.db2.gz JAUTVRGMEHBHKV-TZMCWYRMSA-N 2 2 294.399 0.951 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccon2)C[C@H]1C ZINC001211369469 803678512 /nfs/dbraw/zinc/67/85/12/803678512.db2.gz JAUTVRGMEHBHKV-TZMCWYRMSA-N 2 2 294.399 0.951 20 0 CCADLP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C)OC ZINC001217006061 803861358 /nfs/dbraw/zinc/86/13/58/803861358.db2.gz RXUFXWXVKOLHTK-HZSPNIEDSA-N 2 2 294.399 0.745 20 0 CCADLP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001217009815 803862802 /nfs/dbraw/zinc/86/28/02/803862802.db2.gz GJPADTFVXXBNPX-FRRDWIJNSA-N 2 2 280.372 0.355 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])c1nnc(C2CCOCC2)o1 ZINC001217692933 803899897 /nfs/dbraw/zinc/89/98/97/803899897.db2.gz FQFVPAAGCDALAC-NSHDSACASA-N 2 2 277.328 0.940 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])c1nnc([C@@H]2CCOC2)o1 ZINC001217693425 803900575 /nfs/dbraw/zinc/90/05/75/803900575.db2.gz LPZAUQUZMRYWBW-SCZZXKLOSA-N 2 2 263.301 0.550 20 0 CCADLP [NH3+]C[C@H]([NH3+])Cc1nnc(Cc2ccccc2F)o1 ZINC001217726733 803906621 /nfs/dbraw/zinc/90/66/21/803906621.db2.gz LHCJONVELDDGAA-SECBINFHSA-N 2 2 250.277 0.628 20 0 CCADLP FC1(F)C[NH2+]C[C@@H](OC[C@@H]2C[C@@H]3CC[NH2+]C[C@@H]3O2)C1 ZINC001217856360 803921592 /nfs/dbraw/zinc/92/15/92/803921592.db2.gz PHCQDOMMKUMJKC-BJDJZHNGSA-N 2 2 276.327 0.767 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Oc2ccc3c(c2)CC[NH2+]C3)C[NH2+]1 ZINC001218174794 803933788 /nfs/dbraw/zinc/93/37/88/803933788.db2.gz QOIWWKMQPYFKRH-KBPBESRZSA-N 2 2 276.336 0.615 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Oc2ccc3c(c2)CC[NH2+]C3)C[NH2+]1 ZINC001218174167 803934870 /nfs/dbraw/zinc/93/48/70/803934870.db2.gz QOIWWKMQPYFKRH-KGLIPLIRSA-N 2 2 276.336 0.615 20 0 CCADLP N[C@@]1(C(=O)Nc2cccc3[nH+]ccn32)CCC[NH2+]C1 ZINC001218497982 803964964 /nfs/dbraw/zinc/96/49/64/803964964.db2.gz CAEIWHARWKLHRB-ZDUSSCGKSA-N 2 2 259.313 0.354 20 0 CCADLP COc1nn(C)cc1NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001218504271 803971301 /nfs/dbraw/zinc/97/13/01/803971301.db2.gz DPRLKCDSWWGPFJ-NSHDSACASA-N 2 2 289.339 0.640 20 0 CCADLP CCOC(=O)c1cc[nH]c1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218539965 803995230 /nfs/dbraw/zinc/99/52/30/803995230.db2.gz AYKLCBORPYQLRE-UHFFFAOYSA-N 2 2 294.355 0.472 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1nc(F)cc(C(F)(F)F)c1F ZINC001218543995 803996975 /nfs/dbraw/zinc/99/69/75/803996975.db2.gz ZZRXTNLYRFHIOE-YFKPBYRVSA-N 2 2 298.215 0.993 20 0 CCADLP CCc1cc(C(=O)OC)c(NC(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)s1 ZINC001218548804 803999212 /nfs/dbraw/zinc/99/92/12/803999212.db2.gz WAGRDZZICHOYFB-XVKPBYJWSA-N 2 2 297.380 0.725 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1csc2cnccc12 ZINC001218636189 804050324 /nfs/dbraw/zinc/05/03/24/804050324.db2.gz XCHVVBSDBSPPAQ-QMMMGPOBSA-N 2 2 250.327 0.911 20 0 CCADLP Cc1c[nH]c(=O)cc1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218650984 804061103 /nfs/dbraw/zinc/06/11/03/804061103.db2.gz BAAHXWDABIGDDI-KKFJDGPESA-N 2 2 262.313 0.256 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)Nc2cn[nH]c(=O)c2)cc1 ZINC001218652733 804063539 /nfs/dbraw/zinc/06/35/39/804063539.db2.gz PBQPYZQSWNJSKA-LLVKDONJSA-N 2 2 273.296 0.393 20 0 CCADLP CCc1ccc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)cn1 ZINC001218653323 804064896 /nfs/dbraw/zinc/06/48/96/804064896.db2.gz XDOCCVRMDPHGNM-GFCCVEGCSA-N 2 2 259.313 0.876 20 0 CCADLP CN(C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)c1nc(Cl)ccc1N ZINC001218683719 804080018 /nfs/dbraw/zinc/08/00/18/804080018.db2.gz VKNDJQIYNDXXQG-KKFJDGPESA-N 2 2 295.774 0.502 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1c[nH]c(=O)c(C(F)(F)F)c1 ZINC001218690923 804080752 /nfs/dbraw/zinc/08/07/52/804080752.db2.gz RVJLOMYIVPTHSG-XPUUQOCRSA-N 2 2 290.245 0.291 20 0 CCADLP [NH3+]C1(C(=O)Nc2cc(Cl)ncc2CO)CC[NH2+]CC1 ZINC001218692046 804081488 /nfs/dbraw/zinc/08/14/88/804081488.db2.gz AVLQGDGQKFCJSP-UHFFFAOYSA-N 2 2 284.747 0.247 20 0 CCADLP CCc1ncsc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001218802164 804126673 /nfs/dbraw/zinc/12/66/73/804126673.db2.gz XUCNCRWCPYNEST-VIFPVBQESA-N 2 2 279.369 0.948 20 0 CCADLP [NH3+]C1(C(=O)Nc2ccc3oncc3c2)CC[NH2+]CC1 ZINC001218941523 804161752 /nfs/dbraw/zinc/16/17/52/804161752.db2.gz BBLPRTYIDJTSIJ-UHFFFAOYSA-N 2 2 260.297 0.847 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cccc2cncc(F)c21 ZINC001219201792 804234089 /nfs/dbraw/zinc/23/40/89/804234089.db2.gz KAKNEBMGSPUHRI-JTQLQIEISA-N 2 2 262.288 0.989 20 0 CCADLP CN(C)C(=O)Oc1cccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c1 ZINC001219325496 804270299 /nfs/dbraw/zinc/27/02/99/804270299.db2.gz AGCGHFFHSDGSIH-RYUDHWBXSA-N 2 2 292.339 0.232 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccc3ncnc(Cl)c3c2)C1 ZINC001219373359 804289528 /nfs/dbraw/zinc/28/95/28/804289528.db2.gz QJYUDSKGZBIZEY-HQJQHLMTSA-N 2 2 291.742 0.911 20 0 CCADLP O=C(NCCn1cc[nH+]c1)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001219563686 804351306 /nfs/dbraw/zinc/35/13/06/804351306.db2.gz HUPINJANIMFLLO-ZIAGYGMSSA-N 2 2 291.399 0.073 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)[C@@H]2CC[NH2+]C[C@H]2F)c1 ZINC001219633730 804382283 /nfs/dbraw/zinc/38/22/83/804382283.db2.gz CXHIZTXABQUUTK-GHMZBOCLSA-N 2 2 254.309 0.026 20 0 CCADLP CC(C)(NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C(=O)c1ccccc1 ZINC001219692580 804405545 /nfs/dbraw/zinc/40/55/45/804405545.db2.gz DTDUOFVVLLXWTM-NEPJUHHUSA-N 2 2 275.352 0.453 20 0 CCADLP C[C@H](NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)c1nc2ccccc2[nH]1 ZINC001219701789 804409365 /nfs/dbraw/zinc/40/93/65/804409365.db2.gz QGKURHHQUMLWQA-GFOPWETNSA-N 2 2 299.378 0.962 20 0 CCADLP CCC[NH+]1CCC(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001219954773 804458108 /nfs/dbraw/zinc/45/81/08/804458108.db2.gz RILMIKDFWMXPDU-CYBMUJFWSA-N 3 2 279.388 0.270 20 0 CCADLP C[NH+]1CC(NC(=O)[C@H]([NH3+])Cc2ccnc3ccccc23)C1 ZINC001220013364 804471399 /nfs/dbraw/zinc/47/13/99/804471399.db2.gz SKURWJUWEPAVDX-CQSZACIVSA-N 2 2 284.363 0.535 20 0 CCADLP Cc1[nH+]c(N)ccc1CNC(=O)c1ccc([C@H](N)C[NH3+])cc1 ZINC001220074213 804493506 /nfs/dbraw/zinc/49/35/06/804493506.db2.gz QRFUDVWKQSYNPV-CQSZACIVSA-N 2 2 299.378 0.861 20 0 CCADLP N=C(NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)SCC[NH3+] ZINC001220106635 804501820 /nfs/dbraw/zinc/50/18/20/804501820.db2.gz VVVYKNQVZVYRQH-JTQLQIEISA-N 3 2 281.385 0.002 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NCCOC(F)(F)F)cc1 ZINC001220139325 804509305 /nfs/dbraw/zinc/50/93/05/804509305.db2.gz QJVCTSWZFIZZDE-SNVBAGLBSA-N 2 2 291.273 0.911 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC001220151685 804516246 /nfs/dbraw/zinc/51/62/46/804516246.db2.gz CHWKMXSEGHFJGN-JIMOISOXSA-N 3 2 262.357 0.112 20 0 CCADLP CC1(C)C[C@H](NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CCO1 ZINC001220218738 804541410 /nfs/dbraw/zinc/54/14/10/804541410.db2.gz DBNFREVYBPXARE-MWLCHTKSSA-N 2 2 266.345 0.353 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@@H]1CCCc2cccnc21 ZINC001220224957 804543256 /nfs/dbraw/zinc/54/32/56/804543256.db2.gz BPXFCJJDMWMYHM-UONOGXRCSA-N 2 2 299.378 0.879 20 0 CCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001220238655 804544309 /nfs/dbraw/zinc/54/43/09/804544309.db2.gz ZFQNFYRUWJWUBJ-XCOQAZTISA-N 2 2 289.807 0.242 20 0 CCADLP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001220238655 804544313 /nfs/dbraw/zinc/54/43/13/804544313.db2.gz ZFQNFYRUWJWUBJ-XCOQAZTISA-N 2 2 289.807 0.242 20 0 CCADLP C[C@H](CCCC(C)(C)O)NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220242590 804546205 /nfs/dbraw/zinc/54/62/05/804546205.db2.gz DYGIINJWEUAWJL-ZYHUDNBSSA-N 2 2 282.388 0.725 20 0 CCADLP C[C@@H](CCCC(C)(C)O)NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220242588 804547118 /nfs/dbraw/zinc/54/71/18/804547118.db2.gz DYGIINJWEUAWJL-JQWIXIFHSA-N 2 2 282.388 0.725 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC001220275429 804558934 /nfs/dbraw/zinc/55/89/34/804558934.db2.gz YJVQBMZCWDMXED-VXGBXAGGSA-N 2 2 266.345 0.273 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)[C@H]1CC[NH2+]C[C@@H]1F ZINC001220274475 804559082 /nfs/dbraw/zinc/55/90/82/804559082.db2.gz DNPJRZGBIAUUMK-RYUDHWBXSA-N 2 2 284.335 0.093 20 0 CCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O)[NH+](C)C ZINC001220380125 804588939 /nfs/dbraw/zinc/58/89/39/804588939.db2.gz QXPFSFMFDIWSBX-QGDURGIVSA-N 2 2 289.807 0.240 20 0 CCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O)[NH+](C)C ZINC001220380125 804588944 /nfs/dbraw/zinc/58/89/44/804588944.db2.gz QXPFSFMFDIWSBX-QGDURGIVSA-N 2 2 289.807 0.240 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001220391376 804592555 /nfs/dbraw/zinc/59/25/55/804592555.db2.gz GOFXVDZYYNRLPA-CBBWQLFWSA-N 2 2 289.379 0.570 20 0 CCADLP C[C@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)c1nc(-c2ccccc2)c[nH]1 ZINC001220548564 804622203 /nfs/dbraw/zinc/62/22/03/804622203.db2.gz PBDJNJYYAUSPAC-UHTWSYAYSA-N 2 2 299.378 0.943 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC1(c2cccnc2)CC1 ZINC001220560471 804624736 /nfs/dbraw/zinc/62/47/36/804624736.db2.gz JCYXZNSWLBHCPU-GFCCVEGCSA-N 2 2 271.324 0.480 20 0 CCADLP CC(C)(O)CCCNC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220574988 804628821 /nfs/dbraw/zinc/62/88/21/804628821.db2.gz DSVRMAPBRDWPDA-ZDUSSCGKSA-N 2 2 279.384 0.926 20 0 CCADLP O=C(NCCc1ccc2[nH]ccc2c1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220589519 804633792 /nfs/dbraw/zinc/63/37/92/804633792.db2.gz CCVOKSUYAZJWCU-CWRNSKLLSA-N 2 2 298.390 0.777 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1COCc2ccccc21 ZINC001220655827 804643035 /nfs/dbraw/zinc/64/30/35/804643035.db2.gz GYLCZHUKEGAEQV-ZIAGYGMSSA-N 2 2 286.335 0.667 20 0 CCADLP N=C(NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)c1cccnc1Cl ZINC001220660918 804645272 /nfs/dbraw/zinc/64/52/72/804645272.db2.gz OQWQDRKQJJYEHX-AMIZOPFISA-N 2 2 293.758 0.128 20 0 CCADLP C[NH2+][C@@H](CC(C)C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC001220724743 804656598 /nfs/dbraw/zinc/65/65/98/804656598.db2.gz IWRIVZFFQVNNGL-OLZOCXBDSA-N 2 2 271.405 0.457 20 0 CCADLP C[NH2+][C@@H](CC(C)C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC001220724743 804656603 /nfs/dbraw/zinc/65/66/03/804656603.db2.gz IWRIVZFFQVNNGL-OLZOCXBDSA-N 2 2 271.405 0.457 20 0 CCADLP [NH3+]C1(C(=O)NC2CC3(C2)CC(F)(F)C3)CC[NH2+]CC1 ZINC001220736208 804657949 /nfs/dbraw/zinc/65/79/49/804657949.db2.gz DSTJRPGJUSKYOE-UHFFFAOYSA-N 2 2 273.327 0.761 20 0 CCADLP [NH3+]C1(C(=O)N[C@H]2COc3ccc(Cl)cc32)CC[NH2+]CC1 ZINC001220955879 804707882 /nfs/dbraw/zinc/70/78/82/804707882.db2.gz REKBUOMVBFKBDT-NSHDSACASA-N 2 2 295.770 0.971 20 0 CCADLP CCOc1cccc(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)n1 ZINC001221065126 804726331 /nfs/dbraw/zinc/72/63/31/804726331.db2.gz AHCXNLOILCVYJJ-LBPRGKRZSA-N 2 2 289.339 0.390 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C/C=C/Cl)C[C@@H]1O ZINC001221091535 804730705 /nfs/dbraw/zinc/73/07/05/804730705.db2.gz PWZUMDDTRGAQSY-RVAOTSRCSA-N 2 2 289.807 0.240 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C/C=C/Cl)C[C@@H]1O ZINC001221091535 804730707 /nfs/dbraw/zinc/73/07/07/804730707.db2.gz PWZUMDDTRGAQSY-RVAOTSRCSA-N 2 2 289.807 0.240 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001221091535 804730710 /nfs/dbraw/zinc/73/07/10/804730710.db2.gz PWZUMDDTRGAQSY-RVAOTSRCSA-N 2 2 289.807 0.240 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001221091535 804730713 /nfs/dbraw/zinc/73/07/13/804730713.db2.gz PWZUMDDTRGAQSY-RVAOTSRCSA-N 2 2 289.807 0.240 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCC2(CC3CCC3)CCOCC2)C1 ZINC001221179007 804740384 /nfs/dbraw/zinc/74/03/84/804740384.db2.gz DENONLMIWHAVCA-KGLIPLIRSA-N 2 2 295.427 0.779 20 0 CCADLP C[N@@H+]1CCC[C@@](C)(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)C1 ZINC001221243997 804755088 /nfs/dbraw/zinc/75/50/88/804755088.db2.gz ODYIAHJSJMULGJ-GOEBONIOSA-N 3 2 290.411 0.859 20 0 CCADLP C[N@H+]1CCC[C@@](C)(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)C1 ZINC001221243997 804755093 /nfs/dbraw/zinc/75/50/93/804755093.db2.gz ODYIAHJSJMULGJ-GOEBONIOSA-N 3 2 290.411 0.859 20 0 CCADLP [NH3+][C@@H](CC(F)F)C(=O)NCCOc1cc[nH+]cc1 ZINC001221393857 804798430 /nfs/dbraw/zinc/79/84/30/804798430.db2.gz PAFSQIXKMIRGTR-VIFPVBQESA-N 2 2 259.256 0.559 20 0 CCADLP CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)C2([NH3+])CC[NH2+]CC2)CC1 ZINC001221394531 804800169 /nfs/dbraw/zinc/80/01/69/804800169.db2.gz CMELOFKKGRVQDC-OKILXGFUSA-N 3 2 296.459 0.837 20 0 CCADLP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CCF)C[C@H]21 ZINC001221973001 804858160 /nfs/dbraw/zinc/85/81/60/804858160.db2.gz UHWKIAFJOLDDII-CHWSQXEVSA-N 2 2 271.380 0.830 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CCF)C[C@H]21 ZINC001221973001 804858167 /nfs/dbraw/zinc/85/81/67/804858167.db2.gz UHWKIAFJOLDDII-CHWSQXEVSA-N 2 2 271.380 0.830 20 0 CCADLP CCC[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CCF)C[C@H]21 ZINC001221973001 804858174 /nfs/dbraw/zinc/85/81/74/804858174.db2.gz UHWKIAFJOLDDII-CHWSQXEVSA-N 2 2 271.380 0.830 20 0 CCADLP CCn1ccnc1CN1CC[NH2+]C2(CC[NH2+]CC2)C1 ZINC001222085667 804863528 /nfs/dbraw/zinc/86/35/28/804863528.db2.gz HLAHRVHQTPARFV-UHFFFAOYSA-N 2 2 263.389 0.430 20 0 CCADLP CCOCCC[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222099500 804868130 /nfs/dbraw/zinc/86/81/30/804868130.db2.gz YAPRRQXSOIHMON-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP COCCC[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222098098 804868358 /nfs/dbraw/zinc/86/83/58/804868358.db2.gz JVRFESRWDWBKJF-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP c1c(CN2CC[NH2+]C3(CC[NH2+]CC3)C2)nn2ccccc12 ZINC001222104851 804869632 /nfs/dbraw/zinc/86/96/32/804869632.db2.gz NWKLJBVDLJPXLP-UHFFFAOYSA-N 2 2 285.395 0.862 20 0 CCADLP Cc1ccc(O)c(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)n1 ZINC001222506969 804910071 /nfs/dbraw/zinc/91/00/71/804910071.db2.gz JZIYOGWQPBFPTK-JSGCOSHPSA-N 2 2 276.384 0.621 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC[N@@H+]1CCO ZINC001088674772 815055161 /nfs/dbraw/zinc/05/51/61/815055161.db2.gz WRFPIVAYEPACOK-DYEKYZERSA-N 2 2 292.383 0.017 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC[N@H+]1CCO ZINC001088674772 815055167 /nfs/dbraw/zinc/05/51/67/815055167.db2.gz WRFPIVAYEPACOK-DYEKYZERSA-N 2 2 292.383 0.017 20 0 CCADLP COC[C@@H](C)[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001277183203 805326902 /nfs/dbraw/zinc/32/69/02/805326902.db2.gz JXBHCXZISXZYQC-SNVBAGLBSA-N 2 2 266.345 0.226 20 0 CCADLP C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001227839464 805397038 /nfs/dbraw/zinc/39/70/38/805397038.db2.gz CSTJTJFGAHVBGU-BFHYXJOUSA-N 2 2 294.399 0.671 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC1CC[NH+](CCCO)CC1 ZINC001228516612 805454167 /nfs/dbraw/zinc/45/41/67/805454167.db2.gz NUFPVCLJESOSKZ-UHFFFAOYSA-N 2 2 280.372 0.236 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CC2CC2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000989611786 815084880 /nfs/dbraw/zinc/08/48/80/815084880.db2.gz IUGCQPYLXJPEKP-CMPLNLGQSA-N 2 2 262.357 0.941 20 0 CCADLP CCCOC[C@@H](O)CNc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001245957836 807104185 /nfs/dbraw/zinc/10/41/85/807104185.db2.gz WGJVSJFRUJYNQX-AWEZNQCLSA-N 2 2 294.399 0.691 20 0 CCADLP O[C@H](C[NH2+][C@H]1CCC[NH2+]C1)COCc1ccccc1 ZINC001245984470 807107020 /nfs/dbraw/zinc/10/70/20/807107020.db2.gz XORCOOBZOIVODL-LSDHHAIUSA-N 2 2 264.369 0.906 20 0 CCADLP C[C@H]([NH3+])CC[NH2+]C[C@@H](O)[C@@H]([NH3+])Cc1cc(F)cc(F)c1 ZINC001246002843 807111305 /nfs/dbraw/zinc/11/13/05/807111305.db2.gz SLEHVVDEQPFUSD-QCZZGDTMSA-N 3 2 287.354 0.522 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)COCC(F)(F)C(F)F)C[C@H]1[NH3+] ZINC001246028293 807125243 /nfs/dbraw/zinc/12/52/43/807125243.db2.gz JLIZLOXTWNNTBI-HRDYMLBCSA-N 2 2 288.285 0.543 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)COCC(F)(F)C(F)F)C[C@H]1[NH3+] ZINC001246028293 807125247 /nfs/dbraw/zinc/12/52/47/807125247.db2.gz JLIZLOXTWNNTBI-HRDYMLBCSA-N 2 2 288.285 0.543 20 0 CCADLP CC1(C[NH3+])C[NH+](C[C@H](O)COCC(F)(F)C(F)F)C1 ZINC001246036084 807129708 /nfs/dbraw/zinc/12/97/08/807129708.db2.gz RQNSFRGTUJYGLW-QMMMGPOBSA-N 2 2 288.285 0.545 20 0 CCADLP [NH3+][C@]12CC[C@H]1C[N@H+](C[C@@H](O)COCc1ccco1)C2 ZINC001246045988 807131521 /nfs/dbraw/zinc/13/15/21/807131521.db2.gz MFKUPBNTNZFTRJ-SCRDCRAPSA-N 2 2 266.341 0.580 20 0 CCADLP [NH3+][C@]12CC[C@H]1C[N@@H+](C[C@@H](O)COCc1ccco1)C2 ZINC001246045988 807131529 /nfs/dbraw/zinc/13/15/29/807131529.db2.gz MFKUPBNTNZFTRJ-SCRDCRAPSA-N 2 2 266.341 0.580 20 0 CCADLP CCCOC[C@H](O)C[N@H+](CCCOC)[C@H]1CCC[NH2+]C1 ZINC001246047818 807133799 /nfs/dbraw/zinc/13/37/99/807133799.db2.gz XJUBMDBCQPKDAI-LSDHHAIUSA-N 2 2 288.432 0.864 20 0 CCADLP CCCOC[C@H](O)C[N@@H+](CCCOC)[C@H]1CCC[NH2+]C1 ZINC001246047818 807133803 /nfs/dbraw/zinc/13/38/03/807133803.db2.gz XJUBMDBCQPKDAI-LSDHHAIUSA-N 2 2 288.432 0.864 20 0 CCADLP CCCOC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001246053497 807135207 /nfs/dbraw/zinc/13/52/07/807135207.db2.gz RNYOCSSEUCOWOD-OUAUKWLOSA-N 2 2 284.322 0.985 20 0 CCADLP CCCOC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001246053497 807135212 /nfs/dbraw/zinc/13/52/12/807135212.db2.gz RNYOCSSEUCOWOD-OUAUKWLOSA-N 2 2 284.322 0.985 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H](C)C[NH2+]2)CCN1 ZINC001246103230 807153995 /nfs/dbraw/zinc/15/39/95/807153995.db2.gz GUSSJGNVLMLPPY-CRWXNKLISA-N 2 2 283.416 0.648 20 0 CCADLP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246132125 807162043 /nfs/dbraw/zinc/16/20/43/807162043.db2.gz LBVGZRKHISYEJM-NWDGAFQWSA-N 2 2 253.390 0.975 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]C[C@@H]2[C@H](N[C@@H]3CCC[NH2+]C3)CC[C@@H]21 ZINC001246153731 807169738 /nfs/dbraw/zinc/16/97/38/807169738.db2.gz XZKOGTVCIYBBCM-HTOAHKCRSA-N 2 2 281.400 0.258 20 0 CCADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)C[NH2+]1 ZINC001246157081 807171257 /nfs/dbraw/zinc/17/12/57/807171257.db2.gz PQJYKNDHJXEUAP-XHJNMGKDSA-N 3 2 253.390 0.341 20 0 CCADLP COC(=O)[C@@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(C)(C)C ZINC001246162895 807172278 /nfs/dbraw/zinc/17/22/78/807172278.db2.gz HHAWXUMKCABZSW-GHMZBOCLSA-N 2 2 269.389 0.258 20 0 CCADLP O=C(CC[NH2+][C@@H]1CCC[NH2+]C1)NCc1ccco1 ZINC001246180352 807177830 /nfs/dbraw/zinc/17/78/30/807177830.db2.gz ISBRQFWZVXMPJM-LLVKDONJSA-N 2 2 251.330 0.628 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N[C@H]2C[NH2+]CC[C@H]2F)C[NH2+]1 ZINC001246214167 807188914 /nfs/dbraw/zinc/18/89/14/807188914.db2.gz DLUBQNXMKMZBQN-WYUUTHIRSA-N 2 2 287.379 0.348 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)nn2)CC[NH2+]1 ZINC001246262595 807201790 /nfs/dbraw/zinc/20/17/90/807201790.db2.gz IQTQRWRBRDYKPA-CHWSQXEVSA-N 2 2 291.399 0.543 20 0 CCADLP COc1cccc(C[C@@H](CO)[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC001246273808 807204403 /nfs/dbraw/zinc/20/44/03/807204403.db2.gz WBZQPUCGFCYGBG-KGLIPLIRSA-N 2 2 264.369 0.940 20 0 CCADLP O[C@]1(C[NH2+][C@H]2CCC[NH2+]C2)CCOc2ccccc21 ZINC001246273029 807204940 /nfs/dbraw/zinc/20/49/40/807204940.db2.gz RPVPHTZUBLBQHX-WFASDCNBSA-N 2 2 262.353 0.998 20 0 CCADLP O=C1CC[NH2+]C[C@@H]1NC1CC[NH+](Cc2ccncc2)CC1 ZINC001246293141 807210854 /nfs/dbraw/zinc/21/08/54/807210854.db2.gz PAHHLJDLANHITN-HNNXBMFYSA-N 2 2 288.395 0.567 20 0 CCADLP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1C[NH2+]C[C@@H]1CO ZINC001246299916 807214705 /nfs/dbraw/zinc/21/47/05/807214705.db2.gz OEMBLRACEUEQBD-MPKXVKKWSA-N 2 2 252.333 0.927 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H](N[C@H]2C[NH2+]CC[C@@H]2C)C[NH2+]1 ZINC001246324011 807221190 /nfs/dbraw/zinc/22/11/90/807221190.db2.gz DNZZNYFRHRUPDX-ZJQBRPOHSA-N 2 2 269.389 0.258 20 0 CCADLP CS(=O)(=O)c1cccc(CC[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC001246322531 807221307 /nfs/dbraw/zinc/22/13/07/807221307.db2.gz BUAXRDNZJQCABE-ZDUSSCGKSA-N 2 2 282.409 0.974 20 0 CCADLP CCCCCCOC(=O)C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246350660 807229673 /nfs/dbraw/zinc/22/96/73/807229673.db2.gz NPWJKYMHTWTXGN-CYBMUJFWSA-N 2 2 283.416 0.794 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N(CC[NH3+])c2ccc(F)cc2)C[NH2+]1 ZINC001246402618 807243660 /nfs/dbraw/zinc/24/36/60/807243660.db2.gz BOABIGBGEFSRAN-OLZOCXBDSA-N 2 2 281.331 0.494 20 0 CCADLP C([NH2+][C@@H]1CCC[NH2+]C1)C1CC[NH+](C2COC2)CC1 ZINC001246470826 807259430 /nfs/dbraw/zinc/25/94/30/807259430.db2.gz RRAZAPZBRXBTIP-CYBMUJFWSA-N 3 2 253.390 0.439 20 0 CCADLP CCOC(=O)C[NH+]1CCC(N[C@@H]2C[NH2+]CC[C@H]2F)CC1 ZINC001246497934 807266390 /nfs/dbraw/zinc/26/63/90/807266390.db2.gz PAIXXMUIFFALFO-CHWSQXEVSA-N 2 2 287.379 0.304 20 0 CCADLP COC(=O)[C@H]([NH3+])Cc1cn([C@@H]2CC[C@@H](C)[NH2+]C2)cn1 ZINC001246527462 807273947 /nfs/dbraw/zinc/27/39/47/807273947.db2.gz YOSJEHCYYHYDMV-YUSALJHKSA-N 2 2 266.345 0.239 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H]([N@@H+]2CCC[C@@H]([NH3+])CC2)CN1 ZINC001246542980 807279241 /nfs/dbraw/zinc/27/92/41/807279241.db2.gz QQMKERLQOSFDQF-MBNYWOFBSA-N 2 2 269.389 0.483 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H]([N@H+]2CCC[C@@H]([NH3+])CC2)CN1 ZINC001246542980 807279243 /nfs/dbraw/zinc/27/92/43/807279243.db2.gz QQMKERLQOSFDQF-MBNYWOFBSA-N 2 2 269.389 0.483 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@@H+](C2C[C@@H]3C=C[C@H](C2)[NH2+]3)C1 ZINC001246558407 807288697 /nfs/dbraw/zinc/28/86/97/807288697.db2.gz KNYPYVXAMVAJKA-PIGZVRMJSA-N 3 2 251.374 0.221 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@H+](C2C[C@@H]3C=C[C@H](C2)[NH2+]3)C1 ZINC001246558407 807288703 /nfs/dbraw/zinc/28/87/03/807288703.db2.gz KNYPYVXAMVAJKA-PIGZVRMJSA-N 3 2 251.374 0.221 20 0 CCADLP COc1ccc([C@@H]2C[C@@H]([N@@H+]3C[C@@H]([NH3+])[C@H](O)C3)CCO2)cc1 ZINC001246558345 807288848 /nfs/dbraw/zinc/28/88/48/807288848.db2.gz QEVSOIXHXQKPQO-XZDPQHSOSA-N 2 2 292.379 0.919 20 0 CCADLP COc1ccc([C@@H]2C[C@@H]([N@H+]3C[C@@H]([NH3+])[C@H](O)C3)CCO2)cc1 ZINC001246558345 807288854 /nfs/dbraw/zinc/28/88/54/807288854.db2.gz QEVSOIXHXQKPQO-XZDPQHSOSA-N 2 2 292.379 0.919 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)C[C@H]1C(=O)OC ZINC001246563834 807293290 /nfs/dbraw/zinc/29/32/90/807293290.db2.gz VCVSFZFGTOORJB-SYLRKERUSA-N 2 2 298.383 0.396 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([N@H+]2C[C@@H](C)[C@H]([NH3+])C2)C[C@H]1C(=O)OC ZINC001246563834 807293296 /nfs/dbraw/zinc/29/32/96/807293296.db2.gz VCVSFZFGTOORJB-SYLRKERUSA-N 2 2 298.383 0.396 20 0 CCADLP C[C@@H]1CC[C@H]([N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)C[NH2+]1 ZINC001246630690 807334264 /nfs/dbraw/zinc/33/42/64/807334264.db2.gz KQSKAGMXBGUEEC-YIYPIFLZSA-N 3 2 253.390 0.437 20 0 CCADLP C[C@@H]1CC[C@H]([N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)C[NH2+]1 ZINC001246630690 807334272 /nfs/dbraw/zinc/33/42/72/807334272.db2.gz KQSKAGMXBGUEEC-YIYPIFLZSA-N 3 2 253.390 0.437 20 0 CCADLP C[C@@H](CC(F)(F)F)[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246639992 807339911 /nfs/dbraw/zinc/33/99/11/807339911.db2.gz CYGMOBVXOQDVBF-VHSXEESVSA-N 2 2 251.296 0.965 20 0 CCADLP C[C@@H](CC(F)(F)F)[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246639992 807339920 /nfs/dbraw/zinc/33/99/20/807339920.db2.gz CYGMOBVXOQDVBF-VHSXEESVSA-N 2 2 251.296 0.965 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)CO1 ZINC001246638526 807340426 /nfs/dbraw/zinc/34/04/26/807340426.db2.gz MDNKWMFBVMOKSQ-LOWDOPEQSA-N 2 2 268.357 0.533 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@H]3[NH2+]CC[C@H]32)CO1 ZINC001246638526 807340435 /nfs/dbraw/zinc/34/04/35/807340435.db2.gz MDNKWMFBVMOKSQ-LOWDOPEQSA-N 2 2 268.357 0.533 20 0 CCADLP CC(=O)N1CCO[C@@H]2CC[N@@H+]([C@@H]3CC[C@H](C)[NH2+]C3)CC[C@@H]21 ZINC001246697480 807358207 /nfs/dbraw/zinc/35/82/07/807358207.db2.gz VFAKDQLPZPLNID-DRPJVOAASA-N 2 2 295.427 0.839 20 0 CCADLP CC(=O)N1CCO[C@@H]2CC[N@H+]([C@@H]3CC[C@H](C)[NH2+]C3)CC[C@@H]21 ZINC001246697480 807358216 /nfs/dbraw/zinc/35/82/16/807358216.db2.gz VFAKDQLPZPLNID-DRPJVOAASA-N 2 2 295.427 0.839 20 0 CCADLP Cc1noc([C@]23COC[C@H]2C[N@@H+]([C@@H]2CC[C@H](C)[NH2+]C2)C3)n1 ZINC001246725789 807365575 /nfs/dbraw/zinc/36/55/75/807365575.db2.gz NFKYFYXXLJCFGW-XTWPYSKKSA-N 2 2 292.383 0.718 20 0 CCADLP Cc1noc([C@]23COC[C@H]2C[N@H+]([C@@H]2CC[C@H](C)[NH2+]C2)C3)n1 ZINC001246725789 807365582 /nfs/dbraw/zinc/36/55/82/807365582.db2.gz NFKYFYXXLJCFGW-XTWPYSKKSA-N 2 2 292.383 0.718 20 0 CCADLP C[NH+]1CCN(C(=O)C2CC[NH+](C3CC[NH2+]CC3)CC2)CC1 ZINC001246805956 807388719 /nfs/dbraw/zinc/38/87/19/807388719.db2.gz LUMDRRFJOGFPNA-UHFFFAOYSA-N 3 2 294.443 0.224 20 0 CCADLP COC(=O)[C@H]1COCCC12C[NH+](C1CC[NH2+]CC1)C2 ZINC001246856468 807407760 /nfs/dbraw/zinc/40/77/60/807407760.db2.gz XMKVBMLQSIGOLK-GFCCVEGCSA-N 2 2 268.357 0.250 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C[NH2+]1 ZINC001246883943 807419429 /nfs/dbraw/zinc/41/94/29/807419429.db2.gz YUIMQANUNBQHHD-VOAKCMCISA-N 2 2 267.373 0.058 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C[NH2+]1 ZINC001246883943 807419430 /nfs/dbraw/zinc/41/94/30/807419430.db2.gz YUIMQANUNBQHHD-VOAKCMCISA-N 2 2 267.373 0.058 20 0 CCADLP COC(=O)[C@@H]1C[N@H+]([C@@H]2CCC[C@@H](OC)C2)C[C@H]1[NH3+] ZINC001246933355 807434113 /nfs/dbraw/zinc/43/41/13/807434113.db2.gz IDJCYPMGIHAWNB-DDHJBXDOSA-N 2 2 256.346 0.376 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCC[C@@H](OC)C2)C[C@H]1[NH3+] ZINC001246933355 807434116 /nfs/dbraw/zinc/43/41/16/807434116.db2.gz IDJCYPMGIHAWNB-DDHJBXDOSA-N 2 2 256.346 0.376 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)C[C@@H]1[NH3+] ZINC001246935006 807434501 /nfs/dbraw/zinc/43/45/01/807434501.db2.gz WWRYSICGEOFTDW-KGLIPLIRSA-N 3 2 295.427 0.731 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C[C@@H]1[NH3+] ZINC001246935006 807434509 /nfs/dbraw/zinc/43/45/09/807434509.db2.gz WWRYSICGEOFTDW-KGLIPLIRSA-N 3 2 295.427 0.731 20 0 CCADLP CCNC(=O)COC1CC[NH+]([C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246975576 807444847 /nfs/dbraw/zinc/44/48/47/807444847.db2.gz VFKNBTFIFKRSMI-OLZOCXBDSA-N 2 2 283.416 0.744 20 0 CCADLP COc1cc(F)cc(-c2noc(C[C@@H]([NH3+])C[NH3+])n2)c1 ZINC001249130143 807544319 /nfs/dbraw/zinc/54/43/19/807544319.db2.gz UQQHQHGVJSGEHU-SECBINFHSA-N 2 2 266.276 0.713 20 0 CCADLP CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001075965814 815129731 /nfs/dbraw/zinc/12/97/31/815129731.db2.gz DXCQQDREVGZQDO-MELADBBJSA-N 2 2 288.395 0.998 20 0 CCADLP CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001075965814 815129735 /nfs/dbraw/zinc/12/97/35/815129735.db2.gz DXCQQDREVGZQDO-MELADBBJSA-N 2 2 288.395 0.998 20 0 CCADLP Cc1cn2cc(NC[C@H](O)C[NH+]3CCOCC3)ccc2[nH+]1 ZINC001251006224 807636612 /nfs/dbraw/zinc/63/66/12/807636612.db2.gz JNOXJFHDKGLYSR-AWEZNQCLSA-N 2 2 290.367 0.748 20 0 CCADLP CCC[NH+](CCC)CCNC[C@H](O)C[NH+]1CCOCC1 ZINC001251033016 807649107 /nfs/dbraw/zinc/64/91/07/807649107.db2.gz JEJFYMMZLABKDO-HNNXBMFYSA-N 2 2 287.448 0.391 20 0 CCADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](C[C@H](C)O)CC1 ZINC001251961638 807753246 /nfs/dbraw/zinc/75/32/46/807753246.db2.gz AZUQLPWHMMIRLP-GXTWGEPZSA-N 2 2 256.390 0.942 20 0 CCADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](C[C@H](C)O)CC1 ZINC001251961638 807753251 /nfs/dbraw/zinc/75/32/51/807753251.db2.gz AZUQLPWHMMIRLP-GXTWGEPZSA-N 2 2 256.390 0.942 20 0 CCADLP CC1(C)CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]CCCO ZINC001278646161 807797559 /nfs/dbraw/zinc/79/75/59/807797559.db2.gz ZFGGADQKGFIFRL-CYBMUJFWSA-N 2 2 294.399 0.551 20 0 CCADLP CC1(C)CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]CCCO ZINC001278646161 807797561 /nfs/dbraw/zinc/79/75/61/807797561.db2.gz ZFGGADQKGFIFRL-CYBMUJFWSA-N 2 2 294.399 0.551 20 0 CCADLP COC(=O)[C@@H](O)C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001252425518 807836921 /nfs/dbraw/zinc/83/69/21/807836921.db2.gz KVRJRNXRDXSUBL-LBPRGKRZSA-N 2 2 258.362 0.325 20 0 CCADLP COC(=O)[C@@H](O)C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001252425518 807836930 /nfs/dbraw/zinc/83/69/30/807836930.db2.gz KVRJRNXRDXSUBL-LBPRGKRZSA-N 2 2 258.362 0.325 20 0 CCADLP COC(=O)[C@@H](O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001252425280 807837598 /nfs/dbraw/zinc/83/75/98/807837598.db2.gz JHSONFLCBGQVAM-NEPJUHHUSA-N 2 2 280.324 0.377 20 0 CCADLP COC(=O)[C@@H](O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001252425280 807837605 /nfs/dbraw/zinc/83/76/05/807837605.db2.gz JHSONFLCBGQVAM-NEPJUHHUSA-N 2 2 280.324 0.377 20 0 CCADLP CCC[C@@H](O)C[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001252784346 807957841 /nfs/dbraw/zinc/95/78/41/807957841.db2.gz XEWLVHFUODBZLH-OAHLLOKOSA-N 2 2 285.432 0.097 20 0 CCADLP O[C@@]1(C[NH2+]CC2(F)COC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252944670 807987691 /nfs/dbraw/zinc/98/76/91/807987691.db2.gz UEFBPNIXGOADMK-MRXNPFEDSA-N 2 2 294.370 0.952 20 0 CCADLP O[C@@]1(C[NH2+]CC2(F)COC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252944670 807987695 /nfs/dbraw/zinc/98/76/95/807987695.db2.gz UEFBPNIXGOADMK-MRXNPFEDSA-N 2 2 294.370 0.952 20 0 CCADLP CN1CC(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001252948792 807987976 /nfs/dbraw/zinc/98/79/76/807987976.db2.gz WZUJKJQUZMJOCS-KRWDZBQOSA-N 2 2 289.423 0.775 20 0 CCADLP CN1CC(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001252948792 807987980 /nfs/dbraw/zinc/98/79/80/807987980.db2.gz WZUJKJQUZMJOCS-KRWDZBQOSA-N 2 2 289.423 0.775 20 0 CCADLP CC(C)C[N@@H+]1CC[C@H]([NH2+]CC2(O)CCOCC2)C1 ZINC001252978647 807998142 /nfs/dbraw/zinc/99/81/42/807998142.db2.gz KXNFKYOMLRSRDT-ZDUSSCGKSA-N 2 2 256.390 0.848 20 0 CCADLP CC(C)C[N@H+]1CC[C@H]([NH2+]CC2(O)CCOCC2)C1 ZINC001252978647 807998145 /nfs/dbraw/zinc/99/81/45/807998145.db2.gz KXNFKYOMLRSRDT-ZDUSSCGKSA-N 2 2 256.390 0.848 20 0 CCADLP OC1(C[NH2+][C@H]2CC[N@H+](CC3CCC3)C2)CCOCC1 ZINC001252979955 808000071 /nfs/dbraw/zinc/00/00/71/808000071.db2.gz XASUNGKAZSSXFN-AWEZNQCLSA-N 2 2 268.401 0.992 20 0 CCADLP OC1(C[NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)CCOCC1 ZINC001252979955 808000079 /nfs/dbraw/zinc/00/00/79/808000079.db2.gz XASUNGKAZSSXFN-AWEZNQCLSA-N 2 2 268.401 0.992 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]CCCn1cc[nH+]c1 ZINC001253174900 808016104 /nfs/dbraw/zinc/01/61/04/808016104.db2.gz QSHXTIAFMDMOML-CYBMUJFWSA-N 3 2 254.378 0.566 20 0 CCADLP CC[NH+](CC)C[C@@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001253179304 808018037 /nfs/dbraw/zinc/01/80/37/808018037.db2.gz OQTVJSRSRQEKBB-JTQLQIEISA-N 2 2 278.360 0.478 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001253204845 808029570 /nfs/dbraw/zinc/02/95/70/808029570.db2.gz WWBOEERLHRAQPE-KGLIPLIRSA-N 3 2 257.422 0.763 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001253204845 808029573 /nfs/dbraw/zinc/02/95/73/808029573.db2.gz WWBOEERLHRAQPE-KGLIPLIRSA-N 3 2 257.422 0.763 20 0 CCADLP CCC(=O)NC1CC[NH+](C[C@H](O)C[NH+](CC)CC)CC1 ZINC001253190689 808024913 /nfs/dbraw/zinc/02/49/13/808024913.db2.gz RAKRYLGRIQUACO-CQSZACIVSA-N 2 2 285.432 0.680 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC001253192374 808026539 /nfs/dbraw/zinc/02/65/39/808026539.db2.gz PMEZVAKLOGALHO-KGLIPLIRSA-N 2 2 281.404 0.618 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC001253192374 808026547 /nfs/dbraw/zinc/02/65/47/808026547.db2.gz PMEZVAKLOGALHO-KGLIPLIRSA-N 2 2 281.404 0.618 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@@]2(CCC(=O)O2)C1 ZINC001253193726 808026909 /nfs/dbraw/zinc/02/69/09/808026909.db2.gz ICSHXRHAXZOWMP-DZGCQCFKSA-N 2 2 284.400 0.861 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@@]2(CCC(=O)O2)C1 ZINC001253193726 808026914 /nfs/dbraw/zinc/02/69/14/808026914.db2.gz ICSHXRHAXZOWMP-DZGCQCFKSA-N 2 2 284.400 0.861 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC2(CCC(=O)N2)CC1 ZINC001253192229 808027018 /nfs/dbraw/zinc/02/70/18/808027018.db2.gz MJHADRPHCRGHHZ-CYBMUJFWSA-N 2 2 283.416 0.434 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC001253393546 808054661 /nfs/dbraw/zinc/05/46/61/808054661.db2.gz WTUQECLBSWXLJM-CHWSQXEVSA-N 2 2 281.404 0.664 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC001253393546 808054664 /nfs/dbraw/zinc/05/46/64/808054664.db2.gz WTUQECLBSWXLJM-CHWSQXEVSA-N 2 2 281.404 0.664 20 0 CCADLP CCOC(=O)C[NH+]1CCC(n2nc(C[NH3+])cc2C)CC1 ZINC001254393747 808230113 /nfs/dbraw/zinc/23/01/13/808230113.db2.gz SPGFJXPGQQGAJR-UHFFFAOYSA-N 2 2 280.372 0.850 20 0 CCADLP C[N@@H+]1CCC[C@@H](N[C@]2(C[NH3+])C[NH+]3CCC2CC3)CC1 ZINC001254509428 808248799 /nfs/dbraw/zinc/24/87/99/808248799.db2.gz NGDVIXVPKCXJKP-HUUCEWRRSA-N 3 2 266.433 0.483 20 0 CCADLP C[N@H+]1CCC[C@@H](N[C@]2(C[NH3+])C[NH+]3CCC2CC3)CC1 ZINC001254509428 808248802 /nfs/dbraw/zinc/24/88/02/808248802.db2.gz NGDVIXVPKCXJKP-HUUCEWRRSA-N 3 2 266.433 0.483 20 0 CCADLP CC[NH+](CC)CCOCCNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001254698185 808274182 /nfs/dbraw/zinc/27/41/82/808274182.db2.gz XCEFZBUDFUKAEE-ZDUSSCGKSA-N 2 2 282.388 0.919 20 0 CCADLP O=c1[nH][nH]cc1CCC[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254837842 808284165 /nfs/dbraw/zinc/28/41/65/808284165.db2.gz WKDGOZTWJWCWOS-CHWSQXEVSA-N 2 2 264.373 0.572 20 0 CCADLP CCOC(=O)[C@@H]([NH3+])Cc1cn([C@H]2CC[N@H+](C)C2)cn1 ZINC001255425323 808361297 /nfs/dbraw/zinc/36/12/97/808361297.db2.gz DBLOSYGUCDLFIJ-RYUDHWBXSA-N 2 2 266.345 0.193 20 0 CCADLP CCOC(=O)[C@@H]([NH3+])Cc1cn([C@H]2CC[N@@H+](C)C2)cn1 ZINC001255425323 808361305 /nfs/dbraw/zinc/36/13/05/808361305.db2.gz DBLOSYGUCDLFIJ-RYUDHWBXSA-N 2 2 266.345 0.193 20 0 CCADLP C[N@@H+]1CC[C@@H](N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC001255433003 808365982 /nfs/dbraw/zinc/36/59/82/808365982.db2.gz UFZJZLAKPCLFFM-OAHLLOKOSA-N 2 2 260.385 0.903 20 0 CCADLP C[N@H+]1CC[C@@H](N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC001255433003 808365990 /nfs/dbraw/zinc/36/59/90/808365990.db2.gz UFZJZLAKPCLFFM-OAHLLOKOSA-N 2 2 260.385 0.903 20 0 CCADLP CN1CCC[C@@H]([NH+]2CCC(N3CC[NH+](C)CC3)CC2)C1 ZINC001255486132 808386063 /nfs/dbraw/zinc/38/60/63/808386063.db2.gz IFZWNLFTORVUCD-MRXNPFEDSA-N 2 2 280.460 0.792 20 0 CCADLP COC[C@@H](C)n1c[nH+]cc1CCNC(=O)CC[NH3+] ZINC001255562577 808402638 /nfs/dbraw/zinc/40/26/38/808402638.db2.gz DKXIPWCIBGDMEI-SNVBAGLBSA-N 2 2 254.334 0.098 20 0 CCADLP C[NH+]1CCC([NH2+][C@@H](CO)[C@@H](O)c2ccccc2)CC1 ZINC001256196834 808475539 /nfs/dbraw/zinc/47/55/39/808475539.db2.gz YUWLUOUVRJCYLL-GJZGRUSLSA-N 2 2 264.369 0.765 20 0 CCADLP C[NH+]1CCC([NH2+][C@@H](CCC(=O)OC(C)(C)C)C(N)=O)CC1 ZINC001256197600 808475676 /nfs/dbraw/zinc/47/56/76/808475676.db2.gz MJLIISMFFSXRON-LBPRGKRZSA-N 2 2 299.415 0.646 20 0 CCADLP COC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC001256199544 808478031 /nfs/dbraw/zinc/47/80/31/808478031.db2.gz DUMJLIMNTKXCHR-AAEUAGOBSA-N 2 2 297.399 0.223 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[NH2+][C@H](C)C[NH+]1CCCC1 ZINC001256320530 808491944 /nfs/dbraw/zinc/49/19/44/808491944.db2.gz PXSMLLRZBMCARG-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H](C)CC(=O)N2CCOCC2)C1 ZINC001256321097 808493760 /nfs/dbraw/zinc/49/37/60/808493760.db2.gz DQHPNSZFBKCTEO-KGLIPLIRSA-N 2 2 283.416 0.696 20 0 CCADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@H](C)CC(=O)N2CCOCC2)C1 ZINC001256321097 808493766 /nfs/dbraw/zinc/49/37/66/808493766.db2.gz DQHPNSZFBKCTEO-KGLIPLIRSA-N 2 2 283.416 0.696 20 0 CCADLP NC(=O)[C@@H]1C[C@H](F)C[N@@H+]1C1CCC([NH+]2CCOCC2)CC1 ZINC001256697983 808551760 /nfs/dbraw/zinc/55/17/60/808551760.db2.gz JKEIWVPILFONMH-ABXWRUBCSA-N 2 2 299.390 0.528 20 0 CCADLP NC(=O)[C@@H]1C[C@H](F)C[N@H+]1C1CCC([NH+]2CCOCC2)CC1 ZINC001256697983 808551766 /nfs/dbraw/zinc/55/17/66/808551766.db2.gz JKEIWVPILFONMH-ABXWRUBCSA-N 2 2 299.390 0.528 20 0 CCADLP C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C[NH2+]CCF ZINC001279103392 808692065 /nfs/dbraw/zinc/69/20/65/808692065.db2.gz PLCHGMCSLRTSPD-RYUDHWBXSA-N 2 2 282.363 0.996 20 0 CCADLP C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C[NH2+]CCF ZINC001279103392 808692070 /nfs/dbraw/zinc/69/20/70/808692070.db2.gz PLCHGMCSLRTSPD-RYUDHWBXSA-N 2 2 282.363 0.996 20 0 CCADLP COc1ccccc1C[C@H](C)[NH2+][C@@H]1COC[C@H]1[NH3+] ZINC001258878831 808703188 /nfs/dbraw/zinc/70/31/88/808703188.db2.gz ABHSHZLAWNBBOC-CYZMBNFOSA-N 2 2 250.342 0.942 20 0 CCADLP COCC[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001076107326 815244131 /nfs/dbraw/zinc/24/41/31/815244131.db2.gz QLURYTOAGJMWRA-UONOGXRCSA-N 2 2 292.383 0.452 20 0 CCADLP COCC[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001076107326 815244134 /nfs/dbraw/zinc/24/41/34/815244134.db2.gz QLURYTOAGJMWRA-UONOGXRCSA-N 2 2 292.383 0.452 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001261782223 809087593 /nfs/dbraw/zinc/08/75/93/809087593.db2.gz AAMKSJIODITEEH-WDEREUQCSA-N 2 2 250.346 0.417 20 0 CCADLP CC(C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076296304 815274030 /nfs/dbraw/zinc/27/40/30/815274030.db2.gz YZAZPGGWQKOBEU-WCQYABFASA-N 2 2 262.357 0.893 20 0 CCADLP CC(C)[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076296304 815274033 /nfs/dbraw/zinc/27/40/33/815274033.db2.gz YZAZPGGWQKOBEU-WCQYABFASA-N 2 2 262.357 0.893 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001262553894 809339115 /nfs/dbraw/zinc/33/91/15/809339115.db2.gz NHZPOKZCIGTKRX-WDEREUQCSA-N 2 2 250.346 0.417 20 0 CCADLP CC1CC(NC(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC001262577075 809353439 /nfs/dbraw/zinc/35/34/39/809353439.db2.gz HDIYCCUGNMOIOA-UHFFFAOYSA-N 2 2 254.378 0.507 20 0 CCADLP C[C@@H]1Cn2nc(C(=O)NCCCn3cc[nH+]c3)cc2C[NH2+]1 ZINC001263092606 809440682 /nfs/dbraw/zinc/44/06/82/809440682.db2.gz YWKKFNOKANJHPV-LLVKDONJSA-N 2 2 288.355 0.391 20 0 CCADLP [NH3+][C@@H](CC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)C(F)F ZINC001263108047 809448811 /nfs/dbraw/zinc/44/88/11/809448811.db2.gz MUFOLXOHNCOHMJ-JOYOIKCWSA-N 2 2 261.316 0.571 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CC[C@@H]([NH2+]CCCO)C1 ZINC001263903064 809603469 /nfs/dbraw/zinc/60/34/69/809603469.db2.gz GZQKATGPRGALKF-QWHCGFSZSA-N 2 2 294.399 0.599 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CC[C@@H]([NH2+]CCCO)C1 ZINC001263903064 809603472 /nfs/dbraw/zinc/60/34/72/809603472.db2.gz GZQKATGPRGALKF-QWHCGFSZSA-N 2 2 294.399 0.599 20 0 CCADLP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCc3[nH]cc[nH+]3)[C@H]2C1 ZINC001263995621 809619144 /nfs/dbraw/zinc/61/91/44/809619144.db2.gz HWCQRZKQKWPWIK-SDDRHHMPSA-N 2 2 262.357 0.799 20 0 CCADLP C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCc3[nH]cc[nH+]3)[C@H]2C1 ZINC001263995621 809619148 /nfs/dbraw/zinc/61/91/48/809619148.db2.gz HWCQRZKQKWPWIK-SDDRHHMPSA-N 2 2 262.357 0.799 20 0 CCADLP CC[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CCF)[NH+](C)C ZINC001264363416 809643556 /nfs/dbraw/zinc/64/35/56/809643556.db2.gz BREQWYRVVRQCIW-VXGBXAGGSA-N 2 2 259.369 0.829 20 0 CCADLP CC[C@H](C(=O)N(C)C[C@H]1CC[N@H+]1CCF)[NH+](C)C ZINC001264363416 809643559 /nfs/dbraw/zinc/64/35/59/809643559.db2.gz BREQWYRVVRQCIW-VXGBXAGGSA-N 2 2 259.369 0.829 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1C[C@H]([NH2+]CCF)C1 ZINC001264440816 809658498 /nfs/dbraw/zinc/65/84/98/809658498.db2.gz OFHBDNQNKXCHQV-XYPYZODXSA-N 2 2 254.309 0.337 20 0 CCADLP COCC[NH2+][C@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001265777695 809850995 /nfs/dbraw/zinc/85/09/95/809850995.db2.gz SCCWYSWODMBQBM-GFCCVEGCSA-N 2 2 294.399 0.503 20 0 CCADLP CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001265792323 809854785 /nfs/dbraw/zinc/85/47/85/809854785.db2.gz LKRNPHFPWAXRBQ-WDEREUQCSA-N 2 2 250.346 0.560 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]C[C@@H]1CCOC1 ZINC001265829556 809866887 /nfs/dbraw/zinc/86/68/87/809866887.db2.gz CSUWFFDGBYFIOP-MNOVXSKESA-N 2 2 266.345 0.083 20 0 CCADLP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1cnon1 ZINC001266070195 809930516 /nfs/dbraw/zinc/93/05/16/809930516.db2.gz PYICLQDPGMAQOO-CYBMUJFWSA-N 2 2 295.387 0.492 20 0 CCADLP CC[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1cnon1 ZINC001266070195 809930519 /nfs/dbraw/zinc/93/05/19/809930519.db2.gz PYICLQDPGMAQOO-CYBMUJFWSA-N 2 2 295.387 0.492 20 0 CCADLP CC[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1cnon1 ZINC001266070195 809930522 /nfs/dbraw/zinc/93/05/22/809930522.db2.gz PYICLQDPGMAQOO-CYBMUJFWSA-N 2 2 295.387 0.492 20 0 CCADLP CC[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)Cc1cnon1 ZINC001266070195 809930524 /nfs/dbraw/zinc/93/05/24/809930524.db2.gz PYICLQDPGMAQOO-CYBMUJFWSA-N 2 2 295.387 0.492 20 0 CCADLP COCC[NH2+]CC[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001280240774 810010066 /nfs/dbraw/zinc/01/00/66/810010066.db2.gz IGUFBYPRNXOUNN-GFCCVEGCSA-N 2 2 280.372 0.427 20 0 CCADLP c1nc2c(c(N[C@@H]3CCC[N@@H+](C4COC4)C3)n1)C[NH2+]CC2 ZINC001168367601 815403895 /nfs/dbraw/zinc/40/38/95/815403895.db2.gz PINJXWKAYUMNER-LLVKDONJSA-N 2 2 289.383 0.397 20 0 CCADLP c1nc2c(c(N[C@@H]3CCC[N@H+](C4COC4)C3)n1)C[NH2+]CC2 ZINC001168367601 815403897 /nfs/dbraw/zinc/40/38/97/815403897.db2.gz PINJXWKAYUMNER-LLVKDONJSA-N 2 2 289.383 0.397 20 0 CCADLP CN(CC[NH2+]CC1CC1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001267394154 811283056 /nfs/dbraw/zinc/28/30/56/811283056.db2.gz BOONRCGXCMJCEM-ZDUSSCGKSA-N 2 2 276.384 0.904 20 0 CCADLP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CC[N@@H+]1CCO ZINC001038314119 811407507 /nfs/dbraw/zinc/40/75/07/811407507.db2.gz HKRQNGXPLASING-GFCCVEGCSA-N 2 2 297.424 0.606 20 0 CCADLP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CC[N@H+]1CCO ZINC001038314119 811407510 /nfs/dbraw/zinc/40/75/10/811407510.db2.gz HKRQNGXPLASING-GFCCVEGCSA-N 2 2 297.424 0.606 20 0 CCADLP CC[C@H](C(=O)NC1C[NH+](CCOCC2CC2)C1)[NH+](C)C ZINC001267650683 811617125 /nfs/dbraw/zinc/61/71/25/811617125.db2.gz RDPZDTMUZCXNDZ-CQSZACIVSA-N 2 2 283.416 0.554 20 0 CCADLP Cc1cc(N2CCOCC2)[nH+]cc1-n1ccc(CC[NH3+])n1 ZINC001167730198 811717880 /nfs/dbraw/zinc/71/78/80/811717880.db2.gz DZUNHCWBBOPWBT-UHFFFAOYSA-N 2 2 287.367 0.914 20 0 CCADLP COCC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001267965270 811901906 /nfs/dbraw/zinc/90/19/06/811901906.db2.gz AAGOODIGCHBYIU-TZMCWYRMSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001267965270 811901913 /nfs/dbraw/zinc/90/19/13/811901913.db2.gz AAGOODIGCHBYIU-TZMCWYRMSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H](NCc1nc(C[NH+](C)C)cs1)C1C[NH2+]C1 ZINC000722402605 812276591 /nfs/dbraw/zinc/27/65/91/812276591.db2.gz VRLMZTCLGSGIAB-VIFPVBQESA-N 2 2 254.403 0.902 20 0 CCADLP COCCOCCOCC[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000126017707 812318083 /nfs/dbraw/zinc/31/80/83/812318083.db2.gz DBNSPIQEIAFFNE-ZDUSSCGKSA-N 2 2 260.378 0.479 20 0 CCADLP COCCOCCOCC[N@H+]1CCCC[C@H]1C[NH3+] ZINC000126017707 812318093 /nfs/dbraw/zinc/31/80/93/812318093.db2.gz DBNSPIQEIAFFNE-ZDUSSCGKSA-N 2 2 260.378 0.479 20 0 CCADLP Cc1nocc1C[NH2+]CC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001268431665 812563469 /nfs/dbraw/zinc/56/34/69/812563469.db2.gz OQQFNVGGHYJWFK-LLVKDONJSA-N 2 2 291.355 0.864 20 0 CCADLP CCN(CC[NH2+]C[C@@H](C)O)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001268459753 812603528 /nfs/dbraw/zinc/60/35/28/812603528.db2.gz HITSTPVLASNUIY-CHWSQXEVSA-N 2 2 294.399 0.264 20 0 CCADLP Cc1c2cccc(-c3noc([C@H]4C[NH2+]C[C@@H]4[NH3+])n3)c2nn1C ZINC001211755446 812670969 /nfs/dbraw/zinc/67/09/69/812670969.db2.gz NGVBGNYKSJJMNW-RYUDHWBXSA-N 2 2 298.350 0.946 20 0 CCADLP C[C@@H](C[N@H+](C)CC1CC1)NC(=O)Cn1cc[nH+]c1 ZINC001268759177 813070833 /nfs/dbraw/zinc/07/08/33/813070833.db2.gz JOMZLYHGSIYZJU-NSHDSACASA-N 2 2 250.346 0.730 20 0 CCADLP C[C@@H](C[N@@H+](C)CC1CC1)NC(=O)Cn1cc[nH+]c1 ZINC001268759177 813070842 /nfs/dbraw/zinc/07/08/42/813070842.db2.gz JOMZLYHGSIYZJU-NSHDSACASA-N 2 2 250.346 0.730 20 0 CCADLP CO[C@@H](C)C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001268799011 813092133 /nfs/dbraw/zinc/09/21/33/813092133.db2.gz QXASDHNJZPQLFE-YNEHKIRRSA-N 2 2 294.399 0.986 20 0 CCADLP CO[C@@H](C)C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001268799011 813092137 /nfs/dbraw/zinc/09/21/37/813092137.db2.gz QXASDHNJZPQLFE-YNEHKIRRSA-N 2 2 294.399 0.986 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]CCOC1CCC1 ZINC001126437207 813586993 /nfs/dbraw/zinc/58/69/93/813586993.db2.gz VQECVGQDJIAJOI-UHFFFAOYSA-N 2 2 280.372 0.617 20 0 CCADLP COCC[NH2+]C[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001270105674 813636424 /nfs/dbraw/zinc/63/64/24/813636424.db2.gz RZYHHEWJKCNUIQ-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP COCCC[NH+]1CCC(C)(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001270256119 813698810 /nfs/dbraw/zinc/69/88/10/813698810.db2.gz UVOPDHIFALGPNM-UHFFFAOYSA-N 2 2 294.399 0.959 20 0 CCADLP C[C@H](C(=O)N1CCCC2(C[NH+](C)C2)C1)n1cc[nH+]c1 ZINC001270391440 813744697 /nfs/dbraw/zinc/74/46/97/813744697.db2.gz MMNNNTBWFWHRTI-GFCCVEGCSA-N 2 2 262.357 0.998 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CCF ZINC001087797909 814217663 /nfs/dbraw/zinc/21/76/63/814217663.db2.gz PIXQQJPJUKCOBZ-QWHCGFSZSA-N 2 2 282.363 0.901 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1CCF ZINC001087797909 814217667 /nfs/dbraw/zinc/21/76/67/814217667.db2.gz PIXQQJPJUKCOBZ-QWHCGFSZSA-N 2 2 282.363 0.901 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC2(C1)C[NH+](Cc1cn[nH]c1)C2 ZINC001271538405 814471910 /nfs/dbraw/zinc/47/19/10/814471910.db2.gz XPAOAYXDWKLGBD-UHFFFAOYSA-N 2 2 291.399 0.396 20 0 CCADLP C[C@H]1C[C@H](n2c[nH+]cc2CCNC(=O)CC[NH3+])CCO1 ZINC001168091040 814628589 /nfs/dbraw/zinc/62/85/89/814628589.db2.gz IRCDIYJCBWJCID-NWDGAFQWSA-N 2 2 280.372 0.631 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001083645418 815592899 /nfs/dbraw/zinc/59/28/99/815592899.db2.gz ZNLJINNDBAYRJN-FQVTYBBZSA-N 2 2 298.774 0.105 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001083645418 815592904 /nfs/dbraw/zinc/59/29/04/815592904.db2.gz ZNLJINNDBAYRJN-FQVTYBBZSA-N 2 2 298.774 0.105 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](CC[C@H]2CCCO2)C1 ZINC001030160735 815851866 /nfs/dbraw/zinc/85/18/66/815851866.db2.gz FXHDLYBJPZYTGQ-KGLIPLIRSA-N 2 2 281.400 0.450 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1C[NH+]([C@H](C)COC)C1 ZINC001030401502 816015734 /nfs/dbraw/zinc/01/57/34/816015734.db2.gz SOKCATDKQIIGIB-TZMCWYRMSA-N 2 2 283.416 0.696 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC1C[NH+]([C@H](C)COC)C1 ZINC001030401502 816015742 /nfs/dbraw/zinc/01/57/42/816015742.db2.gz SOKCATDKQIIGIB-TZMCWYRMSA-N 2 2 283.416 0.696 20 0 CCADLP CC[NH+]1CC(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001030520056 816083031 /nfs/dbraw/zinc/08/30/31/816083031.db2.gz SGPXVUPORBQANM-OLZOCXBDSA-N 2 2 251.374 0.824 20 0 CCADLP CC[NH+]1CC(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001030520056 816083037 /nfs/dbraw/zinc/08/30/37/816083037.db2.gz SGPXVUPORBQANM-OLZOCXBDSA-N 2 2 251.374 0.824 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001030594834 816132421 /nfs/dbraw/zinc/13/24/21/816132421.db2.gz RIEVATVMHSPVSW-ZFWWWQNUSA-N 2 2 297.443 0.942 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001030594834 816132427 /nfs/dbraw/zinc/13/24/27/816132427.db2.gz RIEVATVMHSPVSW-ZFWWWQNUSA-N 2 2 297.443 0.942 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001030594832 816132652 /nfs/dbraw/zinc/13/26/52/816132652.db2.gz RIEVATVMHSPVSW-HIFRSBDPSA-N 2 2 297.443 0.942 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001030594832 816132656 /nfs/dbraw/zinc/13/26/56/816132656.db2.gz RIEVATVMHSPVSW-HIFRSBDPSA-N 2 2 297.443 0.942 20 0 CCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NC2C[NH+](CCCF)C2)C1 ZINC001030838261 816332720 /nfs/dbraw/zinc/33/27/20/816332720.db2.gz BFWCHYNDDQKUPE-ZDUSSCGKSA-N 2 2 287.379 0.256 20 0 CCADLP CC(C)[N@H+]1CCO[C@H](C(=O)NC2C[NH+](CCCF)C2)C1 ZINC001030838261 816332726 /nfs/dbraw/zinc/33/27/26/816332726.db2.gz BFWCHYNDDQKUPE-ZDUSSCGKSA-N 2 2 287.379 0.256 20 0 CCADLP COCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001272344309 816346159 /nfs/dbraw/zinc/34/61/59/816346159.db2.gz SQKMERYSCNEMEI-OLZOCXBDSA-N 2 2 280.372 0.404 20 0 CCADLP CC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001272437365 816428110 /nfs/dbraw/zinc/42/81/10/816428110.db2.gz JGZHKZUIOITXMU-CHWSQXEVSA-N 2 2 262.357 0.968 20 0 CCADLP CC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001272437365 816428112 /nfs/dbraw/zinc/42/81/12/816428112.db2.gz JGZHKZUIOITXMU-CHWSQXEVSA-N 2 2 262.357 0.968 20 0 CCADLP CC[N@@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001272437207 816430592 /nfs/dbraw/zinc/43/05/92/816430592.db2.gz GTQOIYDOKLDIHS-HNNXBMFYSA-N 2 2 290.367 0.744 20 0 CCADLP CC[N@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001272437207 816430595 /nfs/dbraw/zinc/43/05/95/816430595.db2.gz GTQOIYDOKLDIHS-HNNXBMFYSA-N 2 2 290.367 0.744 20 0 CCADLP O=C(NCC[NH2+]Cc1cnon1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127255658 816467260 /nfs/dbraw/zinc/46/72/60/816467260.db2.gz KNBAZSSMIGOZIQ-YPMHNXCESA-N 2 2 293.371 0.150 20 0 CCADLP O=C(NCC[NH2+]Cc1cnon1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127255658 816467262 /nfs/dbraw/zinc/46/72/62/816467262.db2.gz KNBAZSSMIGOZIQ-YPMHNXCESA-N 2 2 293.371 0.150 20 0 CCADLP C[C@H](F)CC[NH+]1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001030959257 816504348 /nfs/dbraw/zinc/50/43/48/816504348.db2.gz FPUFKDBKGCFIQT-RYUDHWBXSA-N 2 2 271.380 0.877 20 0 CCADLP COC[C@H](C)[NH2+]CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001127299585 816664516 /nfs/dbraw/zinc/66/45/16/816664516.db2.gz UDFDCBJUWIPJIE-NSHDSACASA-N 2 2 290.367 0.997 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCCO ZINC001106705182 816858522 /nfs/dbraw/zinc/85/85/22/816858522.db2.gz VSZAIZMSRGMKPK-VXGBXAGGSA-N 2 2 280.372 0.019 20 0 CCADLP CCOCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106705269 816859032 /nfs/dbraw/zinc/85/90/32/816859032.db2.gz ZLYUIYKEDHRLEQ-CHWSQXEVSA-N 2 2 294.399 0.673 20 0 CCADLP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001031235268 816867044 /nfs/dbraw/zinc/86/70/44/816867044.db2.gz QADZLYDSRQLVFP-DZGCQCFKSA-N 2 2 297.443 0.822 20 0 CCADLP CCCC[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001031235268 816867057 /nfs/dbraw/zinc/86/70/57/816867057.db2.gz QADZLYDSRQLVFP-DZGCQCFKSA-N 2 2 297.443 0.822 20 0 CCADLP CCN(CCNc1cc[nH+]c(C)n1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001106768876 816901059 /nfs/dbraw/zinc/90/10/59/816901059.db2.gz SLPVWFYREYIXEP-ZDUSSCGKSA-N 2 2 291.399 0.997 20 0 CCADLP CCN(CCNc1cc[nH+]c(C)n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001106768876 816901062 /nfs/dbraw/zinc/90/10/62/816901062.db2.gz SLPVWFYREYIXEP-ZDUSSCGKSA-N 2 2 291.399 0.997 20 0 CCADLP C[N@@H+]1CC[C@H](CC(=O)NC2C[NH+](CCn3cccn3)C2)C1 ZINC001031259863 816909600 /nfs/dbraw/zinc/90/96/00/816909600.db2.gz HVXYKJLJGTZJJV-CYBMUJFWSA-N 2 2 291.399 0.025 20 0 CCADLP C[N@H+]1CC[C@H](CC(=O)NC2C[NH+](CCn3cccn3)C2)C1 ZINC001031259863 816909603 /nfs/dbraw/zinc/90/96/03/816909603.db2.gz HVXYKJLJGTZJJV-CYBMUJFWSA-N 2 2 291.399 0.025 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)NC2C[NH+](Cc3ccccc3)C2)C1 ZINC001031386050 817018876 /nfs/dbraw/zinc/01/88/76/817018876.db2.gz VRJHUBLYUGVCAF-CQSZACIVSA-N 2 2 273.380 0.939 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)NC2C[NH+](Cc3ccccc3)C2)C1 ZINC001031386050 817018881 /nfs/dbraw/zinc/01/88/81/817018881.db2.gz VRJHUBLYUGVCAF-CQSZACIVSA-N 2 2 273.380 0.939 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)NC2C[NH+](C[C@H]3CCCCO3)C2)C1 ZINC001031385115 817020470 /nfs/dbraw/zinc/02/04/70/817020470.db2.gz VDHPMKNMRHPMOA-GXTWGEPZSA-N 2 2 281.400 0.308 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)NC2C[NH+](C[C@H]3CCCCO3)C2)C1 ZINC001031385115 817020475 /nfs/dbraw/zinc/02/04/75/817020475.db2.gz VDHPMKNMRHPMOA-GXTWGEPZSA-N 2 2 281.400 0.308 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](C[C@@H](C)OC)C1 ZINC001031439459 817057450 /nfs/dbraw/zinc/05/74/50/817057450.db2.gz HNJGAFNPJDBRGM-OCCSQVGLSA-N 2 2 283.416 0.696 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](C[C@@H](C)OC)C1 ZINC001031439459 817057461 /nfs/dbraw/zinc/05/74/61/817057461.db2.gz HNJGAFNPJDBRGM-OCCSQVGLSA-N 2 2 283.416 0.696 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC1C[NH+](CCC2CCOCC2)C1 ZINC001031477302 817072510 /nfs/dbraw/zinc/07/25/10/817072510.db2.gz YMYRFGKOFPZGAU-UHFFFAOYSA-N 2 2 292.383 0.500 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cncs2)C1 ZINC001031585144 817164086 /nfs/dbraw/zinc/16/40/86/817164086.db2.gz QSDLONXDOQDXFR-CYBMUJFWSA-N 2 2 294.424 0.785 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cncs2)C1 ZINC001031585144 817164090 /nfs/dbraw/zinc/16/40/90/817164090.db2.gz QSDLONXDOQDXFR-CYBMUJFWSA-N 2 2 294.424 0.785 20 0 CCADLP CCC[NH+]1CC(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001031787582 817367685 /nfs/dbraw/zinc/36/76/85/817367685.db2.gz DVGOZRIKKXBBRX-CYBMUJFWSA-N 2 2 276.384 0.904 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ncc(C2CC2)o1 ZINC001124837851 817592010 /nfs/dbraw/zinc/59/20/10/817592010.db2.gz PUWSBPHTMYYEBN-GFCCVEGCSA-N 2 2 292.383 0.852 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ncc(C2CC2)o1 ZINC001124837851 817592019 /nfs/dbraw/zinc/59/20/19/817592019.db2.gz PUWSBPHTMYYEBN-GFCCVEGCSA-N 2 2 292.383 0.852 20 0 CCADLP CC[NH2+]CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001127771990 817850939 /nfs/dbraw/zinc/85/09/39/817850939.db2.gz BHCYTNJIMZKLOO-LBPRGKRZSA-N 2 2 265.361 0.516 20 0 CCADLP CC[NH2+]CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001127771990 817850949 /nfs/dbraw/zinc/85/09/49/817850949.db2.gz BHCYTNJIMZKLOO-LBPRGKRZSA-N 2 2 265.361 0.516 20 0 CCADLP COCC[NH2+]CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001127773739 817852630 /nfs/dbraw/zinc/85/26/30/817852630.db2.gz UONHJYOIMDEXFF-ZDUSSCGKSA-N 2 2 295.387 0.142 20 0 CCADLP COCC[NH2+]CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001127773739 817852636 /nfs/dbraw/zinc/85/26/36/817852636.db2.gz UONHJYOIMDEXFF-ZDUSSCGKSA-N 2 2 295.387 0.142 20 0 CCADLP CC(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001032332372 817889872 /nfs/dbraw/zinc/88/98/72/817889872.db2.gz TZBQEGQLAJUNLZ-SOUVJXGZSA-N 2 2 295.427 0.648 20 0 CCADLP CC(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001032332372 817889877 /nfs/dbraw/zinc/88/98/77/817889877.db2.gz TZBQEGQLAJUNLZ-SOUVJXGZSA-N 2 2 295.427 0.648 20 0 CCADLP CC(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001032332372 817889882 /nfs/dbraw/zinc/88/98/82/817889882.db2.gz TZBQEGQLAJUNLZ-SOUVJXGZSA-N 2 2 295.427 0.648 20 0 CCADLP CC(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001032332372 817889884 /nfs/dbraw/zinc/88/98/84/817889884.db2.gz TZBQEGQLAJUNLZ-SOUVJXGZSA-N 2 2 295.427 0.648 20 0 CCADLP COCC[NH2+]C[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001273010530 818355187 /nfs/dbraw/zinc/35/51/87/818355187.db2.gz MUVLLTWEMOBSAH-CYBMUJFWSA-N 2 2 294.399 0.580 20 0 CCADLP Cn1cnc2ccnc(NC(=[NH2+])N3CC[NH+](C)CC3)c21 ZINC001168734854 818531723 /nfs/dbraw/zinc/53/17/23/818531723.db2.gz CHMIGRBDRXWYSR-UHFFFAOYSA-N 2 2 273.344 0.562 20 0 CCADLP CC(=O)Nc1cc(NC(=[NH2+])N2CC[NH+](C)CC2)ncn1 ZINC001168735507 818537446 /nfs/dbraw/zinc/53/74/46/818537446.db2.gz RQYQAIHNZIRLSH-UHFFFAOYSA-N 2 2 277.332 0.029 20 0 CCADLP COc1nc(Cl)ncc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168736272 818544684 /nfs/dbraw/zinc/54/46/84/818544684.db2.gz DLHJESYBLXTGDV-UHFFFAOYSA-N 2 2 284.751 0.733 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc3nncn3c2)CC1 ZINC001168736509 818545789 /nfs/dbraw/zinc/54/57/89/818545789.db2.gz HXUVPTOHVPDYQL-UHFFFAOYSA-N 2 2 259.317 0.323 20 0 CCADLP CCc1cc(C)nc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001168736366 818547275 /nfs/dbraw/zinc/54/72/75/818547275.db2.gz LEUREXWOXDDQKK-UHFFFAOYSA-N 2 2 262.361 0.941 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cc(Cl)cn3ncnc23)CC1 ZINC001168737323 818564732 /nfs/dbraw/zinc/56/47/32/818564732.db2.gz YJWCKBMVCOLXKT-UHFFFAOYSA-N 2 2 293.762 0.977 20 0 CCADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001033202841 818647344 /nfs/dbraw/zinc/64/73/44/818647344.db2.gz NZASXHJICDGIDX-TZMCWYRMSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001033202841 818647351 /nfs/dbraw/zinc/64/73/51/818647351.db2.gz NZASXHJICDGIDX-TZMCWYRMSA-N 2 2 276.384 0.998 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+]CC[C@H]1CCOC1 ZINC001128967322 819236857 /nfs/dbraw/zinc/23/68/57/819236857.db2.gz LMSPBZCOOPBQDE-LBPRGKRZSA-N 2 2 280.372 0.475 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC[NH2+]CC[C@H]1CCOC1 ZINC001128967322 819236860 /nfs/dbraw/zinc/23/68/60/819236860.db2.gz LMSPBZCOOPBQDE-LBPRGKRZSA-N 2 2 280.372 0.475 20 0 CCADLP COC(=O)C1(C)CCC([N@@H+]2CCO[C@H](C[NH3+])C2)CC1 ZINC001168756308 819292313 /nfs/dbraw/zinc/29/23/13/819292313.db2.gz ZSBCTIFKNOUIJV-MBHSVXNSSA-N 2 2 270.373 0.768 20 0 CCADLP COC(=O)C1(C)CCC([N@H+]2CCO[C@H](C[NH3+])C2)CC1 ZINC001168756308 819292319 /nfs/dbraw/zinc/29/23/19/819292319.db2.gz ZSBCTIFKNOUIJV-MBHSVXNSSA-N 2 2 270.373 0.768 20 0 CCADLP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1cccc(C(N)=O)c1)C2 ZINC000703581034 819298084 /nfs/dbraw/zinc/29/80/84/819298084.db2.gz GCPQWCMZAHDCBT-DZGCQCFKSA-N 2 2 259.353 0.827 20 0 CCADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1cccc(C(N)=O)c1)C2 ZINC000703581034 819298089 /nfs/dbraw/zinc/29/80/89/819298089.db2.gz GCPQWCMZAHDCBT-DZGCQCFKSA-N 2 2 259.353 0.827 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001034800996 819334200 /nfs/dbraw/zinc/33/42/00/819334200.db2.gz CFHJSQFSKJYNCO-AVGNSLFASA-N 2 2 280.372 0.281 20 0 CCADLP CC[NH2+]C[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001035005977 819377597 /nfs/dbraw/zinc/37/75/97/819377597.db2.gz MFNYDAMHNUMPEE-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001036204314 819704532 /nfs/dbraw/zinc/70/45/32/819704532.db2.gz JJRCCXWIZUCAPV-CMPLNLGQSA-N 2 2 250.346 0.799 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001036268179 819718079 /nfs/dbraw/zinc/71/80/79/819718079.db2.gz RFPVEVDPUHVSBA-WCQYABFASA-N 2 2 264.373 0.809 20 0 CCADLP O=C1[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CCN1C1CCC1 ZINC000708666273 819776107 /nfs/dbraw/zinc/77/61/07/819776107.db2.gz BJSQXHGTUDUYFT-QLXZCNLWSA-N 2 2 275.396 0.726 20 0 CCADLP Cc1[nH]c(CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)[nH+]c1C ZINC000709056477 819785459 /nfs/dbraw/zinc/78/54/59/819785459.db2.gz JJENWGKFLQEXFL-OLZOCXBDSA-N 2 2 264.373 0.979 20 0 CCADLP Cc1[nH]c(CNC[C@H]2C[N@H+]3CCC[C@@H]3CO2)[nH+]c1C ZINC000709056477 819785465 /nfs/dbraw/zinc/78/54/65/819785465.db2.gz JJENWGKFLQEXFL-OLZOCXBDSA-N 2 2 264.373 0.979 20 0 CCADLP O[C@H](C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)C(F)(F)F ZINC000709995976 819818845 /nfs/dbraw/zinc/81/88/45/819818845.db2.gz LKTICEPKCABDNM-NXEZZACHSA-N 2 2 252.280 0.985 20 0 CCADLP O[C@H](C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)C(F)(F)F ZINC000709995976 819818852 /nfs/dbraw/zinc/81/88/52/819818852.db2.gz LKTICEPKCABDNM-NXEZZACHSA-N 2 2 252.280 0.985 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000382919330 820247161 /nfs/dbraw/zinc/24/71/61/820247161.db2.gz BWPSTUGWEJYOQA-GXTWGEPZSA-N 2 2 281.400 0.450 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001079990568 820493585 /nfs/dbraw/zinc/49/35/85/820493585.db2.gz IGRCCOVTVAJSKY-FRRDWIJNSA-N 2 2 276.384 0.902 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001079990568 820493591 /nfs/dbraw/zinc/49/35/91/820493591.db2.gz IGRCCOVTVAJSKY-FRRDWIJNSA-N 2 2 276.384 0.902 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)C[C@H]1C ZINC001080852417 820646411 /nfs/dbraw/zinc/64/64/11/820646411.db2.gz CBGYDKZLIZMFRO-GIPNMCIBSA-N 2 2 280.372 0.078 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC001080852417 820646415 /nfs/dbraw/zinc/64/64/15/820646415.db2.gz CBGYDKZLIZMFRO-GIPNMCIBSA-N 2 2 280.372 0.078 20 0 CCADLP C[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001081036040 820669639 /nfs/dbraw/zinc/66/96/39/820669639.db2.gz JAXLUYFGFFEOCG-UKRRQHHQSA-N 2 2 299.378 0.915 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001081036040 820669640 /nfs/dbraw/zinc/66/96/40/820669640.db2.gz JAXLUYFGFFEOCG-UKRRQHHQSA-N 2 2 299.378 0.915 20 0 CCADLP CCC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3c[nH]c[nH+]3)[C@H]2C1 ZINC001083101614 821139050 /nfs/dbraw/zinc/13/90/50/821139050.db2.gz NZGQTRLOUIOSRN-UONOGXRCSA-N 2 2 292.383 0.664 20 0 CCADLP CCC[N@H+]1C[C@H]2OCCN(C(=O)CCc3c[nH]c[nH+]3)[C@H]2C1 ZINC001083101614 821139058 /nfs/dbraw/zinc/13/90/58/821139058.db2.gz NZGQTRLOUIOSRN-UONOGXRCSA-N 2 2 292.383 0.664 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1O ZINC001083997791 821169760 /nfs/dbraw/zinc/16/97/60/821169760.db2.gz MUYYPGYRWNVUQL-KGLIPLIRSA-N 2 2 292.383 0.222 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1O ZINC001083997791 821169763 /nfs/dbraw/zinc/16/97/63/821169763.db2.gz MUYYPGYRWNVUQL-KGLIPLIRSA-N 2 2 292.383 0.222 20 0 CCADLP CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001085393897 821677818 /nfs/dbraw/zinc/67/78/18/821677818.db2.gz OBKLMRXUTYIBOU-CHWSQXEVSA-N 2 2 264.373 1.000 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)N(C)C[C@H]1CC[N@@H+]1CCO ZINC001085930202 822025732 /nfs/dbraw/zinc/02/57/32/822025732.db2.gz QLLCEKHATGCQJN-GFCCVEGCSA-N 2 2 292.383 0.286 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)N(C)C[C@H]1CC[N@H+]1CCO ZINC001085930202 822025738 /nfs/dbraw/zinc/02/57/38/822025738.db2.gz QLLCEKHATGCQJN-GFCCVEGCSA-N 2 2 292.383 0.286 20 0 CCADLP [NH3+][C@H]1COC[C@H]1Nc1cccc(N2CCC([NH3+])CC2)[nH+]1 ZINC001155353017 822133413 /nfs/dbraw/zinc/13/34/13/822133413.db2.gz KQPKCUPGCBHTNB-NWDGAFQWSA-N 3 2 277.372 0.147 20 0 CCADLP O=C(NCC[NH2+]CC1CCOCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129893388 837582966 /nfs/dbraw/zinc/58/29/66/837582966.db2.gz POTDYVFIURHCBT-CHWSQXEVSA-N 2 2 292.383 0.646 20 0 CCADLP O=C(NCC[NH2+]CC1CCOCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129893388 837582970 /nfs/dbraw/zinc/58/29/70/837582970.db2.gz POTDYVFIURHCBT-CHWSQXEVSA-N 2 2 292.383 0.646 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2nccs2)O1 ZINC001130187513 837716492 /nfs/dbraw/zinc/71/64/92/837716492.db2.gz WYWUXOPFUPFPDN-GHMZBOCLSA-N 2 2 298.412 0.068 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC[NH2+]Cc2nccs2)O1 ZINC001130187513 837716495 /nfs/dbraw/zinc/71/64/95/837716495.db2.gz WYWUXOPFUPFPDN-GHMZBOCLSA-N 2 2 298.412 0.068 20 0 CCADLP O=C(NCC[NH2+]C[C@@H]1CCOC1)c1cc2c[nH+]ccc2[nH]1 ZINC001130268624 837745440 /nfs/dbraw/zinc/74/54/40/837745440.db2.gz BGJUPSZNSSMMGB-NSHDSACASA-N 2 2 288.351 0.919 20 0 CCADLP O=C([C@@H]1CSC[NH2+]1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157960451 837795725 /nfs/dbraw/zinc/79/57/25/837795725.db2.gz KLFYSNFQPALUCD-STQMWFEESA-N 2 2 277.393 0.822 20 0 CCADLP CCOCC[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130480692 837804113 /nfs/dbraw/zinc/80/41/13/837804113.db2.gz AIKFIVACZNEECB-GFCCVEGCSA-N 2 2 280.372 0.188 20 0 CCADLP O=C(NCC[NH2+]C/C=C/Cl)[C@H]1CCc2c[nH+]cn2C1 ZINC001130488689 837812731 /nfs/dbraw/zinc/81/27/31/837812731.db2.gz UXHTYCJFLCOLAW-BQTOJVEASA-N 2 2 282.775 0.904 20 0 CCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001183773649 844087169 /nfs/dbraw/zinc/08/71/69/844087169.db2.gz RQKCUXLSEDRWQX-QWHCGFSZSA-N 2 2 292.383 0.018 20 0 CCADLP CCC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001108343738 835980088 /nfs/dbraw/zinc/98/00/88/835980088.db2.gz YXPHHNHJWDMSMK-OAHLLOKOSA-N 2 2 294.399 0.580 20 0 CCADLP CCC[N@H+]1CCO[C@](C)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001108343738 835980098 /nfs/dbraw/zinc/98/00/98/835980098.db2.gz YXPHHNHJWDMSMK-OAHLLOKOSA-N 2 2 294.399 0.580 20 0 CCADLP CC(C)Nc1ccnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169067724 836124098 /nfs/dbraw/zinc/12/40/98/836124098.db2.gz WVNDHEMXIYRLEF-SNVBAGLBSA-N 2 2 276.344 0.345 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nccnc1OC(F)F ZINC001169072597 836125798 /nfs/dbraw/zinc/12/57/98/836125798.db2.gz PUIXQEOJCBBTLL-SSDOTTSWSA-N 2 2 285.254 0.126 20 0 CCADLP COc1nc(SC)ncc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169073782 836126961 /nfs/dbraw/zinc/12/69/61/836126961.db2.gz LIBXOMJQHSZFCU-MRVPVSSYSA-N 2 2 295.368 0.255 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nccc2cccnc21 ZINC001169075276 836128306 /nfs/dbraw/zinc/12/83/06/836128306.db2.gz QCCAZCMDWICOAU-LLVKDONJSA-N 2 2 269.308 0.678 20 0 CCADLP CCOc1nc(Cl)ncc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169075071 836129142 /nfs/dbraw/zinc/12/91/42/836129142.db2.gz PRLAXKWRXAURJB-MRVPVSSYSA-N 2 2 297.746 0.577 20 0 CCADLP CN1CCC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1=O ZINC001169140952 836152065 /nfs/dbraw/zinc/15/20/65/836152065.db2.gz NBYCUFJTOCFWDR-CLLJXQQHSA-N 2 2 251.374 0.776 20 0 CCADLP CN1CCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1=O ZINC001169140952 836152073 /nfs/dbraw/zinc/15/20/73/836152073.db2.gz NBYCUFJTOCFWDR-CLLJXQQHSA-N 2 2 251.374 0.776 20 0 CCADLP CN1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1=O ZINC001169140952 836152078 /nfs/dbraw/zinc/15/20/78/836152078.db2.gz NBYCUFJTOCFWDR-CLLJXQQHSA-N 2 2 251.374 0.776 20 0 CCADLP CN1CCC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1=O ZINC001169140952 836152081 /nfs/dbraw/zinc/15/20/81/836152081.db2.gz NBYCUFJTOCFWDR-CLLJXQQHSA-N 2 2 251.374 0.776 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@H]3CNC(=O)[C@H]3C1)C2 ZINC001169148042 836153689 /nfs/dbraw/zinc/15/36/89/836153689.db2.gz XFZXEIJAQJVXKI-HPCHECBXSA-N 2 2 263.385 0.680 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CC[C@H]3CNC(=O)[C@H]3C1)C2 ZINC001169148042 836153691 /nfs/dbraw/zinc/15/36/91/836153691.db2.gz XFZXEIJAQJVXKI-HPCHECBXSA-N 2 2 263.385 0.680 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CC[C@H]3CNC(=O)[C@H]3C1)C2 ZINC001169148042 836153692 /nfs/dbraw/zinc/15/36/92/836153692.db2.gz XFZXEIJAQJVXKI-HPCHECBXSA-N 2 2 263.385 0.680 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CC[C@H]3CNC(=O)[C@H]3C1)C2 ZINC001169148042 836153695 /nfs/dbraw/zinc/15/36/95/836153695.db2.gz XFZXEIJAQJVXKI-HPCHECBXSA-N 2 2 263.385 0.680 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]C[C@@H]1C[C@@]12CCOC2 ZINC001169211326 836159683 /nfs/dbraw/zinc/15/96/83/836159683.db2.gz DTGOBHURYBAGEZ-SWLSCSKDSA-N 2 2 292.383 0.475 20 0 CCADLP CC(C)OCCC[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169211270 836159792 /nfs/dbraw/zinc/15/97/92/836159792.db2.gz ANNYDISGXXBCCI-UHFFFAOYSA-N 2 2 282.388 0.863 20 0 CCADLP CO[C@@H](C)C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169203831 836160761 /nfs/dbraw/zinc/16/07/61/836160761.db2.gz BYIHNNDDBHFNOS-JTQLQIEISA-N 2 2 254.334 0.083 20 0 CCADLP CC[NH+]1CCC([NH+]2CCC(O)(C(=O)OC)CC2)CC1 ZINC001169265005 836170694 /nfs/dbraw/zinc/17/06/94/836170694.db2.gz VRQQKNBQGCHVOD-UHFFFAOYSA-N 2 2 270.373 0.471 20 0 CCADLP C[NH+]1CCC(CO)([NH2+][C@H]2CCCC3(C2)OCCO3)CC1 ZINC001169936328 836482460 /nfs/dbraw/zinc/48/24/60/836482460.db2.gz QLNOZGQLCIBPEK-ZDUSSCGKSA-N 2 2 284.400 0.718 20 0 CCADLP C[NH+](C)C1(C(=O)NCC[NH2+]Cc2ncccn2)CCC1 ZINC001129352200 836496449 /nfs/dbraw/zinc/49/64/49/836496449.db2.gz WRWLPXAIWCYENJ-UHFFFAOYSA-N 2 2 277.372 0.167 20 0 CCADLP COCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001108768824 836523744 /nfs/dbraw/zinc/52/37/44/836523744.db2.gz HJEIMUATCVGZNN-SCRDCRAPSA-N 2 2 292.383 0.568 20 0 CCADLP c1cc(NC[C@H]2COCC[NH2+]2)nc(N2CCCC2)[nH+]1 ZINC001170035100 836753172 /nfs/dbraw/zinc/75/31/72/836753172.db2.gz IIYAWCNYCRRGTG-NSHDSACASA-N 2 2 263.345 0.477 20 0 CCADLP C[C@H](O)CCC[NH+]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001113384528 837104905 /nfs/dbraw/zinc/10/49/05/837104905.db2.gz ANIFBPOBJFNYIA-LBPRGKRZSA-N 2 2 280.372 0.257 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001184721589 844277669 /nfs/dbraw/zinc/27/76/69/844277669.db2.gz YUYUZAPQCHVGHZ-CHWSQXEVSA-N 2 2 280.372 0.499 20 0 CCADLP COc1cc(Cl)ncc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158204268 837980527 /nfs/dbraw/zinc/98/05/27/837980527.db2.gz PUBJOSINZSDUCL-MRVPVSSYSA-N 2 2 282.731 0.791 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1nc(C)oc1C ZINC001131385711 838070973 /nfs/dbraw/zinc/07/09/73/838070973.db2.gz VGSOGSWXDRGMEN-UHFFFAOYSA-N 2 2 291.355 0.702 20 0 CCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[NH+](CC(N)=O)C1 ZINC001132153313 838327323 /nfs/dbraw/zinc/32/73/23/838327323.db2.gz PZUQRQZGZCGWFM-NWDGAFQWSA-N 2 2 298.431 0.171 20 0 CCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[NH+](CC(N)=O)C1 ZINC001132153313 838327327 /nfs/dbraw/zinc/32/73/27/838327327.db2.gz PZUQRQZGZCGWFM-NWDGAFQWSA-N 2 2 298.431 0.171 20 0 CCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(N)=O)C1 ZINC001132153313 838327334 /nfs/dbraw/zinc/32/73/34/838327334.db2.gz PZUQRQZGZCGWFM-NWDGAFQWSA-N 2 2 298.431 0.171 20 0 CCADLP C[NH+](C)Cc1ccoc1C(=O)NCC[NH2+]Cc1cnon1 ZINC001132983571 838530620 /nfs/dbraw/zinc/53/06/20/838530620.db2.gz CMSWQPFWPYZIQG-UHFFFAOYSA-N 2 2 293.327 0.244 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]CCNC(=O)C2(C[NH+](C)C)CC2)n1 ZINC001132996920 838534562 /nfs/dbraw/zinc/53/45/62/838534562.db2.gz BPVPNMPTXUSIAH-SNVBAGLBSA-N 2 2 295.387 0.487 20 0 CCADLP C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]CCO ZINC001133022435 838535394 /nfs/dbraw/zinc/53/53/94/838535394.db2.gz ZOWSKOYVCZCERD-UONOGXRCSA-N 2 2 294.399 0.340 20 0 CCADLP CCc1noc(C[NH2+]CCNC(=O)CCC[NH+](C)C)n1 ZINC001133051270 838541512 /nfs/dbraw/zinc/54/15/12/838541512.db2.gz BVPYIJMUKGGDPT-UHFFFAOYSA-N 2 2 283.376 0.180 20 0 CCADLP C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C[NH2+]CCF ZINC001133196619 838573768 /nfs/dbraw/zinc/57/37/68/838573768.db2.gz VIQZYMFZNXCRGI-RYUDHWBXSA-N 2 2 282.363 0.996 20 0 CCADLP C[NH+](C)CCC(=O)NCC[NH2+]Cc1nc(C2CCC2)no1 ZINC001133288471 838589400 /nfs/dbraw/zinc/58/94/00/838589400.db2.gz XMHDMECSOLQCBH-UHFFFAOYSA-N 2 2 295.387 0.495 20 0 CCADLP CCOCCC[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001133664397 838691171 /nfs/dbraw/zinc/69/11/71/838691171.db2.gz QGAIMXNIQDRIEG-LBPRGKRZSA-N 2 2 294.399 0.962 20 0 CCADLP CC[C@H](C(=O)NCC[NH2+]Cc1cnsn1)[NH+](CC)CC ZINC001133685021 838696022 /nfs/dbraw/zinc/69/60/22/838696022.db2.gz OVFFPGYRSZPDRU-GFCCVEGCSA-N 2 2 299.444 0.864 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C)c1csnn1 ZINC001133823792 838723662 /nfs/dbraw/zinc/72/36/62/838723662.db2.gz OPVLRGOHGVOTKZ-GHMZBOCLSA-N 2 2 297.428 0.789 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C)c1csnn1 ZINC001133823792 838723666 /nfs/dbraw/zinc/72/36/66/838723666.db2.gz OPVLRGOHGVOTKZ-GHMZBOCLSA-N 2 2 297.428 0.789 20 0 CCADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C[NH2+]CCF ZINC001185205284 844362067 /nfs/dbraw/zinc/36/20/67/844362067.db2.gz NMZVRUAQYCOJCL-RYUDHWBXSA-N 2 2 282.363 0.996 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C[NH2+]CCO ZINC001185214851 844364539 /nfs/dbraw/zinc/36/45/39/844364539.db2.gz IMUYYWMZYPDKOT-VXGBXAGGSA-N 2 2 280.372 0.019 20 0 CCADLP CC[C@@H](C(=O)NCC[NH2+]Cc1ccon1)[NH+](C)C ZINC001133966234 838797702 /nfs/dbraw/zinc/79/77/02/838797702.db2.gz ZAZQOQQPLSBWIA-NSHDSACASA-N 2 2 254.334 0.221 20 0 CCADLP CC[C@H](C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)OC ZINC001134042277 838842575 /nfs/dbraw/zinc/84/25/75/838842575.db2.gz CDFIEUNDFOFHBH-JHJVBQTASA-N 2 2 294.399 0.654 20 0 CCADLP CN(c1cc(N2CCC[C@@H]2C(N)=O)[nH+]cn1)C(C)(C)C[NH3+] ZINC001159058739 838861370 /nfs/dbraw/zinc/86/13/70/838861370.db2.gz BMMKGPPIIZNQRA-SNVBAGLBSA-N 2 2 292.387 0.104 20 0 CCADLP COc1ccc(C[NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001134407054 838961829 /nfs/dbraw/zinc/96/18/29/838961829.db2.gz OQIOAYNXUZQWCN-UHFFFAOYSA-N 2 2 288.351 0.867 20 0 CCADLP C[NH+](C)CCCC(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC001185265695 844389393 /nfs/dbraw/zinc/38/93/93/844389393.db2.gz SLJCRKFCRRAEIS-LLVKDONJSA-N 2 2 297.428 0.570 20 0 CCADLP C[C@@H](CC(=O)NCC[NH2+]Cc1nccn1C)n1cc[nH+]c1 ZINC001134495434 838993187 /nfs/dbraw/zinc/99/31/87/838993187.db2.gz ZJZZATSGHCLQKD-LBPRGKRZSA-N 2 2 290.371 0.474 20 0 CCADLP Cc1noc(C[NH2+]CCNC(=O)CC2CC[NH+](C)CC2)n1 ZINC001134776033 839070851 /nfs/dbraw/zinc/07/08/51/839070851.db2.gz IXHOUVKMZRABGW-UHFFFAOYSA-N 2 2 295.387 0.316 20 0 CCADLP CC(C)Oc1cc(N[C@@H]2C[NH2+]C[C@H]2CO)cc[nH+]1 ZINC001170782976 839131841 /nfs/dbraw/zinc/13/18/41/839131841.db2.gz WVSNMOCHNIDOLD-CMPLNLGQSA-N 2 2 251.330 0.861 20 0 CCADLP C[C@H](C[C@H](C)NC(=O)CCc1[nH+]ccn1C)[NH2+]CCCO ZINC001135055411 839143401 /nfs/dbraw/zinc/14/34/01/839143401.db2.gz DZWXIMRAXGPZCG-OLZOCXBDSA-N 2 2 296.415 0.608 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CCOCC1CC1 ZINC001135072458 839151253 /nfs/dbraw/zinc/15/12/53/839151253.db2.gz XBLUKVBIHVYKRO-LBPRGKRZSA-N 2 2 294.399 0.721 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]CCOCC1CC1 ZINC001135072458 839151259 /nfs/dbraw/zinc/15/12/59/839151259.db2.gz XBLUKVBIHVYKRO-LBPRGKRZSA-N 2 2 294.399 0.721 20 0 CCADLP CC1CC(C[NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001135757769 839390707 /nfs/dbraw/zinc/39/07/07/839390707.db2.gz OYHDCUFBJBLZBH-UHFFFAOYSA-N 2 2 250.346 0.704 20 0 CCADLP C[C@H]1CC[C@@H](C[NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)O1 ZINC001135757611 839390796 /nfs/dbraw/zinc/39/07/96/839390796.db2.gz HTUAWMJMGBIBAV-QWRGUYRKSA-N 2 2 266.345 0.226 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)O1 ZINC001135757610 839392538 /nfs/dbraw/zinc/39/25/38/839392538.db2.gz HTUAWMJMGBIBAV-MNOVXSKESA-N 2 2 266.345 0.226 20 0 CCADLP CCO[C@H](C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001135757561 839392598 /nfs/dbraw/zinc/39/25/98/839392598.db2.gz FNYIMRWJTIECNO-GFCCVEGCSA-N 2 2 280.372 0.473 20 0 CCADLP COCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135798497 839418155 /nfs/dbraw/zinc/41/81/55/839418155.db2.gz HSRFKRACBSSADY-RYUDHWBXSA-N 2 2 282.388 0.862 20 0 CCADLP CC[C@@]([NH3+])(CO)Nc1cc[nH+]c(OCCOC)c1 ZINC001170865771 839469740 /nfs/dbraw/zinc/46/97/40/839469740.db2.gz IIANAFPOCYZTPM-LBPRGKRZSA-N 2 2 255.318 0.576 20 0 CCADLP C[C@@H](C[C@H](C)[NH2+]CCCO)NC(=O)Cc1c[nH+]cn1C ZINC001135949257 839477092 /nfs/dbraw/zinc/47/70/92/839477092.db2.gz KLUWWVWYSXKKMA-RYUDHWBXSA-N 2 2 282.388 0.218 20 0 CCADLP C[C@H](C[C@H](C)NC(=O)Cc1c[nH+]cn1C)[NH2+]CCCO ZINC001135949255 839477422 /nfs/dbraw/zinc/47/74/22/839477422.db2.gz KLUWWVWYSXKKMA-NEPJUHHUSA-N 2 2 282.388 0.218 20 0 CCADLP CC[C@@]([NH3+])(CO)Nc1cccc(N2CCC([NH3+])CC2)[nH+]1 ZINC001159745016 839567805 /nfs/dbraw/zinc/56/78/05/839567805.db2.gz ZIBYCPCRTZQOGR-AWEZNQCLSA-N 3 2 279.388 0.478 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH2+]C2C[C@@H]3COC[C@H](C2)N3C)[NH2+]C1 ZINC001246103355 839616817 /nfs/dbraw/zinc/61/68/17/839616817.db2.gz HORXZBYWTBQQLK-WQGXVZNYSA-N 2 2 267.417 0.826 20 0 CCADLP C[C@@H]1CC[C@@H](CNC2C[C@@H]3COC[C@H](C2)[N@@H+]3C)[NH2+]C1 ZINC001246103355 839616823 /nfs/dbraw/zinc/61/68/23/839616823.db2.gz HORXZBYWTBQQLK-WQGXVZNYSA-N 2 2 267.417 0.826 20 0 CCADLP C[C@@H]1CC[C@@H](CNC2C[C@@H]3COC[C@H](C2)[N@H+]3C)[NH2+]C1 ZINC001246103355 839616824 /nfs/dbraw/zinc/61/68/24/839616824.db2.gz HORXZBYWTBQQLK-WQGXVZNYSA-N 2 2 267.417 0.826 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC001136605666 839672677 /nfs/dbraw/zinc/67/26/77/839672677.db2.gz XFPOJRCBIZQETQ-LLVKDONJSA-N 2 2 250.346 0.515 20 0 CCADLP CC(C)C[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001090680041 839730762 /nfs/dbraw/zinc/73/07/62/839730762.db2.gz RWOMLFVNCGRYNF-RYUDHWBXSA-N 2 2 280.372 0.160 20 0 CCADLP CC(C)C[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001090680041 839730772 /nfs/dbraw/zinc/73/07/72/839730772.db2.gz RWOMLFVNCGRYNF-RYUDHWBXSA-N 2 2 280.372 0.160 20 0 CCADLP CC1(C)CC([NH2+][C@H]2C[NH2+]C[C@H]2CO)CC(C)(C)N1O ZINC001246306501 839778123 /nfs/dbraw/zinc/77/81/23/839778123.db2.gz KPXLMWNIPPRGRO-JQWIXIFHSA-N 2 2 271.405 0.567 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CC(C)C)C[C@@H]1O ZINC001090763564 839786386 /nfs/dbraw/zinc/78/63/86/839786386.db2.gz JHYAWFYWTXYZLW-OCCSQVGLSA-N 2 2 294.399 0.468 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CC(C)C)C[C@@H]1O ZINC001090763564 839786388 /nfs/dbraw/zinc/78/63/88/839786388.db2.gz JHYAWFYWTXYZLW-OCCSQVGLSA-N 2 2 294.399 0.468 20 0 CCADLP COCC[NH+]1CCC([NH2+][C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246358405 839819825 /nfs/dbraw/zinc/81/98/25/839819825.db2.gz DTZCPDNTTLIPLT-TZMCWYRMSA-N 3 2 255.406 0.827 20 0 CCADLP C[C@@H](CC(=O)N1CC[C@@H]([NH2+]CCCO)C1)n1cc[nH+]c1 ZINC001185968473 844479228 /nfs/dbraw/zinc/47/92/28/844479228.db2.gz LGOPWLMXJPOSBN-QWHCGFSZSA-N 2 2 280.372 0.407 20 0 CCADLP c1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1)CS2 ZINC001246490218 839871535 /nfs/dbraw/zinc/87/15/35/839871535.db2.gz OZEUXFNORXDAMZ-OLZOCXBDSA-N 2 2 263.410 0.854 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(O)cn2)C1 ZINC001144264419 839990088 /nfs/dbraw/zinc/99/00/88/839990088.db2.gz USVWUYWMTCFZFJ-CYBMUJFWSA-N 2 2 292.383 0.429 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(O)cn2)C1 ZINC001144264419 839990096 /nfs/dbraw/zinc/99/00/96/839990096.db2.gz USVWUYWMTCFZFJ-CYBMUJFWSA-N 2 2 292.383 0.429 20 0 CCADLP O=C(NCC1CC([NH2+]CCF)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001091106703 840051528 /nfs/dbraw/zinc/05/15/28/840051528.db2.gz SPHYRHZLGZHXGC-CPCZMJQVSA-N 2 2 294.374 0.899 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NCC2CC([NH2+]CCF)C2)no1 ZINC001091110842 840051660 /nfs/dbraw/zinc/05/16/60/840051660.db2.gz WWHHHGUCYGGJKF-UHFFFAOYSA-N 2 2 298.362 0.804 20 0 CCADLP OC[C@@H]1C[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC(F)(F)C1 ZINC001246572370 840071018 /nfs/dbraw/zinc/07/10/18/840071018.db2.gz GUNFSJULWZQYDW-WDEREUQCSA-N 2 2 275.343 0.030 20 0 CCADLP OC[C@@H]1C[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC(F)(F)C1 ZINC001246572370 840071023 /nfs/dbraw/zinc/07/10/23/840071023.db2.gz GUNFSJULWZQYDW-WDEREUQCSA-N 2 2 275.343 0.030 20 0 CCADLP CC[C@H](C[NH2+]CCCNC(=O)Cc1c[nH+]cn1C)OC ZINC001171236775 840173450 /nfs/dbraw/zinc/17/34/50/840173450.db2.gz BRWHNEXWBIBVBI-CYBMUJFWSA-N 2 2 282.388 0.484 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]CC1CCOCC1 ZINC001171244027 840186413 /nfs/dbraw/zinc/18/64/13/840186413.db2.gz KCTNEPJGQFJHEO-UHFFFAOYSA-N 2 2 294.399 0.485 20 0 CCADLP COCCC[NH2+][C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001186221772 844521180 /nfs/dbraw/zinc/52/11/80/844521180.db2.gz OMFGVGCIBNFFMJ-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP COCCC[NH2+][C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001186221772 844521187 /nfs/dbraw/zinc/52/11/87/844521187.db2.gz OMFGVGCIBNFFMJ-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]Cc1cc(C)ncn1 ZINC001149122878 840322394 /nfs/dbraw/zinc/32/23/94/840322394.db2.gz DGWUMYBRBLXHJR-UHFFFAOYSA-N 2 2 288.355 0.265 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CC[C@H]1CCCCO1 ZINC001149122817 840329350 /nfs/dbraw/zinc/32/93/50/840329350.db2.gz CFMXGBCZRBAOGV-CYBMUJFWSA-N 2 2 294.399 0.926 20 0 CCADLP [NH3+]C/C=C/CNc1cc(N2CCSCC2)nc[nH+]1 ZINC001160982945 840348526 /nfs/dbraw/zinc/34/85/26/840348526.db2.gz USRNBXWKULIUDI-OWOJBTEDSA-N 2 2 265.386 0.957 20 0 CCADLP [NH3+]C/C=C/CNc1cc(N2CCSCC2)[nH+]cn1 ZINC001160982945 840348538 /nfs/dbraw/zinc/34/85/38/840348538.db2.gz USRNBXWKULIUDI-OWOJBTEDSA-N 2 2 265.386 0.957 20 0 CCADLP CC[N@H+](C)CCC(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001146718886 840353508 /nfs/dbraw/zinc/35/35/08/840353508.db2.gz JPEHLVVBOOPAJH-UHFFFAOYSA-N 2 2 279.388 0.333 20 0 CCADLP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001146718886 840353516 /nfs/dbraw/zinc/35/35/16/840353516.db2.gz JPEHLVVBOOPAJH-UHFFFAOYSA-N 2 2 279.388 0.333 20 0 CCADLP C[C@H](O)C[NH2+]CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001160990095 840364607 /nfs/dbraw/zinc/36/46/07/840364607.db2.gz DFUQZHDFMNWEBK-JTQLQIEISA-N 2 2 276.340 0.653 20 0 CCADLP COCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146753844 840369263 /nfs/dbraw/zinc/36/92/63/840369263.db2.gz BLZPJUVLBOTOEM-NEPJUHHUSA-N 2 2 268.361 0.402 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)Cc1c[nH+]cn1C)c1cnccn1 ZINC001147871812 840708388 /nfs/dbraw/zinc/70/83/88/840708388.db2.gz MUMKDTGFIXXGNT-LLVKDONJSA-N 2 2 288.355 0.220 20 0 CCADLP C[C@@H](F)CC[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147871571 840709002 /nfs/dbraw/zinc/70/90/02/840709002.db2.gz CEBZZHSHSQKMES-SNVBAGLBSA-N 2 2 256.325 0.417 20 0 CCADLP CC(C)OCC[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147908456 840718623 /nfs/dbraw/zinc/71/86/23/840718623.db2.gz VCKKUYSDGMRZQA-UHFFFAOYSA-N 2 2 268.361 0.093 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)nc1 ZINC001147977825 840725964 /nfs/dbraw/zinc/72/59/64/840725964.db2.gz XLOKBVVSEGGZEN-UHFFFAOYSA-N 2 2 289.383 0.087 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+]CCCF)C1 ZINC001186576515 844569452 /nfs/dbraw/zinc/56/94/52/844569452.db2.gz SWDBHICFAVOZQY-SNVBAGLBSA-N 2 2 254.309 0.502 20 0 CCADLP C[N@@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001273525469 844590801 /nfs/dbraw/zinc/59/08/01/844590801.db2.gz SVCIEZJKCGTSIA-CQSZACIVSA-N 2 2 276.340 0.354 20 0 CCADLP C[N@H+]1CCC[C@@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001273525469 844590805 /nfs/dbraw/zinc/59/08/05/844590805.db2.gz SVCIEZJKCGTSIA-CQSZACIVSA-N 2 2 276.340 0.354 20 0 CCADLP COCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001036851256 841394476 /nfs/dbraw/zinc/39/44/76/841394476.db2.gz JNTWNNRIAKIHCX-OLZOCXBDSA-N 2 2 292.383 0.521 20 0 CCADLP COCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001036851256 841394487 /nfs/dbraw/zinc/39/44/87/841394487.db2.gz JNTWNNRIAKIHCX-OLZOCXBDSA-N 2 2 292.383 0.521 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCF)C1 ZINC001036866630 841439082 /nfs/dbraw/zinc/43/90/82/841439082.db2.gz IIBCOBJXMKAEQI-TZMCWYRMSA-N 2 2 294.374 0.855 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CCF)C1 ZINC001036866630 841439088 /nfs/dbraw/zinc/43/90/88/841439088.db2.gz IIBCOBJXMKAEQI-TZMCWYRMSA-N 2 2 294.374 0.855 20 0 CCADLP COCC[N@H+](C[C@@H]1C[NH2+]CCO1)C1CCOCC1 ZINC000716414617 841653808 /nfs/dbraw/zinc/65/38/08/841653808.db2.gz DJQHNQKOQJMYLX-ZDUSSCGKSA-N 2 2 258.362 0.102 20 0 CCADLP COCC[N@@H+](C[C@@H]1C[NH2+]CCO1)C1CCOCC1 ZINC000716414617 841653813 /nfs/dbraw/zinc/65/38/13/841653813.db2.gz DJQHNQKOQJMYLX-ZDUSSCGKSA-N 2 2 258.362 0.102 20 0 CCADLP [NH3+]C[C@]1([NH2+][C@@H]2CCN(C3CC3)C(=O)C2)CN2CCC1CC2 ZINC001172010625 841791077 /nfs/dbraw/zinc/79/10/77/841791077.db2.gz CARNGWNEIQQWCT-CJNGLKHVSA-N 2 2 292.427 0.153 20 0 CCADLP CCN1CC[C@H]([NH2+][C@]2(C[NH3+])CN3CCC2CC3)CC1=O ZINC001172034516 841811715 /nfs/dbraw/zinc/81/17/15/841811715.db2.gz DGTKOEBULNNRCJ-DZGCQCFKSA-N 2 2 280.416 0.010 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCN1C ZINC001172127748 841836681 /nfs/dbraw/zinc/83/66/81/841836681.db2.gz LFXULTIEQVMDOM-XGUBFFRZSA-N 2 2 295.427 0.791 20 0 CCADLP COC(=O)[C@@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCN1C ZINC001172127748 841836688 /nfs/dbraw/zinc/83/66/88/841836688.db2.gz LFXULTIEQVMDOM-XGUBFFRZSA-N 2 2 295.427 0.791 20 0 CCADLP COC(=O)[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCN1C ZINC001172127748 841836695 /nfs/dbraw/zinc/83/66/95/841836695.db2.gz LFXULTIEQVMDOM-XGUBFFRZSA-N 2 2 295.427 0.791 20 0 CCADLP COC(=O)[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCN1C ZINC001172127748 841836703 /nfs/dbraw/zinc/83/67/03/841836703.db2.gz LFXULTIEQVMDOM-XGUBFFRZSA-N 2 2 295.427 0.791 20 0 CCADLP COC(=O)[C@H]1CCC[C@@H](NC(=[NH2+])N2CC[NH+](C)CC2)C1 ZINC001172592250 841939190 /nfs/dbraw/zinc/93/91/90/841939190.db2.gz GNEXJJZKTJFMCW-NWDGAFQWSA-N 2 2 282.388 0.490 20 0 CCADLP COC(=O)[C@@H]1CCC[C@H]([NH+]2CC(N3CC[NH+](C)CC3)C2)C1 ZINC001172638235 841948353 /nfs/dbraw/zinc/94/83/53/841948353.db2.gz VGHFRJFRGQRFTE-KGLIPLIRSA-N 2 2 295.427 0.650 20 0 CCADLP CC(C)OC(=O)CC[C@@H](C)NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001172743421 841966252 /nfs/dbraw/zinc/96/62/52/841966252.db2.gz AXMZNQUYBPQEDN-GFCCVEGCSA-N 2 2 284.404 0.878 20 0 CCADLP COC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2COC[C@H]2[NH3+])CC1 ZINC001172773254 841973825 /nfs/dbraw/zinc/97/38/25/841973825.db2.gz RNZQJBGWILIHOH-WRWGMCAJSA-N 2 2 256.346 0.424 20 0 CCADLP CC(C)(C)OC(=O)CN1CCC([NH2+]C2(C[NH3+])CC2)CC1 ZINC001172891781 841983479 /nfs/dbraw/zinc/98/34/79/841983479.db2.gz JNYVLMBUDHHVCN-UHFFFAOYSA-N 2 2 283.416 0.873 20 0 CCADLP CC[NH+](CC)C1CCC([NH2+]Cc2noc(C(N)=O)n2)CC1 ZINC001173104845 841997478 /nfs/dbraw/zinc/99/74/78/841997478.db2.gz XXLXMLOQYCACKA-UHFFFAOYSA-N 2 2 295.387 0.911 20 0 CCADLP CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+]2CCO[C@@H](C[NH3+])C2)C1 ZINC001173621813 842119140 /nfs/dbraw/zinc/11/91/40/842119140.db2.gz HXPCWWBXVBSRKS-UPJWGTAASA-N 2 2 270.373 0.768 20 0 CCADLP CCOC(=O)C[C@@H]1CC[C@@H]([N@H+]2CCO[C@@H](C[NH3+])C2)C1 ZINC001173621813 842119145 /nfs/dbraw/zinc/11/91/45/842119145.db2.gz HXPCWWBXVBSRKS-UPJWGTAASA-N 2 2 270.373 0.768 20 0 CCADLP CCOC(=O)C[C@@H]1CC[C@H](NC(=[NH2+])N2CC[NH+](C)CC2)C1 ZINC001173644869 842129311 /nfs/dbraw/zinc/12/93/11/842129311.db2.gz UQSQFNJVBASTDE-OLZOCXBDSA-N 2 2 296.415 0.880 20 0 CCADLP Cn1cc[nH+]c1CC[NH2+][C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173755582 842150757 /nfs/dbraw/zinc/15/07/57/842150757.db2.gz ZUMOSXPAMICRTK-NEPJUHHUSA-N 2 2 275.360 0.723 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]CC[C@@H]1CCOC1 ZINC001174692000 842200314 /nfs/dbraw/zinc/20/03/14/842200314.db2.gz OOAKGRUCQMIDTO-CYBMUJFWSA-N 2 2 294.399 0.783 20 0 CCADLP C[C@@H](CCCC[NH2+]CCCO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175463011 842251550 /nfs/dbraw/zinc/25/15/50/842251550.db2.gz WOSVWVWWUNZJGQ-LBPRGKRZSA-N 2 2 282.388 0.599 20 0 CCADLP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)CCn1cc[nH+]c1 ZINC001176877968 842437215 /nfs/dbraw/zinc/43/72/15/842437215.db2.gz QVCZSZNTEJWYPP-NSHDSACASA-N 2 2 286.339 0.714 20 0 CCADLP CCc1nc(C[NH2+]CCCNC(=O)C[N@H+](C)C(C)C)no1 ZINC001176980651 842476195 /nfs/dbraw/zinc/47/61/95/842476195.db2.gz NOZMTFACMJVPSH-UHFFFAOYSA-N 2 2 297.403 0.568 20 0 CCADLP CCc1nc(C[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C)no1 ZINC001176980651 842476203 /nfs/dbraw/zinc/47/62/03/842476203.db2.gz NOZMTFACMJVPSH-UHFFFAOYSA-N 2 2 297.403 0.568 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CC[C@@H]2OCC[NH+](CC)[C@H]2C1 ZINC001177139589 842510892 /nfs/dbraw/zinc/51/08/92/842510892.db2.gz RXWIDCFUISNFFF-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[C@@H]2OCC[NH+](CC)[C@H]2C1 ZINC001177139589 842510895 /nfs/dbraw/zinc/51/08/95/842510895.db2.gz RXWIDCFUISNFFF-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CCC[NH+](C)CC(=O)N1CC[C@@H]2OCC[N@H+](CC)[C@H]2C1 ZINC001177139589 842510902 /nfs/dbraw/zinc/51/09/02/842510902.db2.gz RXWIDCFUISNFFF-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001177156751 842512818 /nfs/dbraw/zinc/51/28/18/842512818.db2.gz NWXNDJBNSFCFLS-UONOGXRCSA-N 2 2 283.416 0.648 20 0 CCADLP CC[N@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@@H]21 ZINC001177156751 842512821 /nfs/dbraw/zinc/51/28/21/842512821.db2.gz NWXNDJBNSFCFLS-UONOGXRCSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCO[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]21 ZINC001177156751 842512824 /nfs/dbraw/zinc/51/28/24/842512824.db2.gz NWXNDJBNSFCFLS-UONOGXRCSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCO[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]21 ZINC001177156751 842512827 /nfs/dbraw/zinc/51/28/27/842512827.db2.gz NWXNDJBNSFCFLS-UONOGXRCSA-N 2 2 283.416 0.648 20 0 CCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[N@@H+]2CC[C@H]2C1 ZINC001178115675 842761563 /nfs/dbraw/zinc/76/15/63/842761563.db2.gz GLCXASZTLNCCJA-NEPJUHHUSA-N 2 2 260.341 0.362 20 0 CCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[N@H+]2CC[C@H]2C1 ZINC001178115675 842761567 /nfs/dbraw/zinc/76/15/67/842761567.db2.gz GLCXASZTLNCCJA-NEPJUHHUSA-N 2 2 260.341 0.362 20 0 CCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@@H]21 ZINC001178117372 842761649 /nfs/dbraw/zinc/76/16/49/842761649.db2.gz VNTLQNCOARTGJU-MCIONIFRSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@@H]21 ZINC001178117372 842761653 /nfs/dbraw/zinc/76/16/53/842761653.db2.gz VNTLQNCOARTGJU-MCIONIFRSA-N 2 2 288.395 0.998 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CCCO)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001178573195 842882821 /nfs/dbraw/zinc/88/28/21/842882821.db2.gz ZTEIJYGMAMMJCU-RYUDHWBXSA-N 2 2 280.372 0.304 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)n1c(=N)sc2c1CC[C@H]([NH3+])C2 ZINC001178698291 842905190 /nfs/dbraw/zinc/90/51/90/842905190.db2.gz ZLEJRHUKYFYQNC-GXSJLCMTSA-N 2 2 294.424 0.970 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)n1c(=N)sc2c1CC[C@H]([NH3+])C2 ZINC001178698291 842905197 /nfs/dbraw/zinc/90/51/97/842905197.db2.gz ZLEJRHUKYFYQNC-GXSJLCMTSA-N 2 2 294.424 0.970 20 0 CCADLP C[C@@H](C(=O)N[C@@H]1C[N@H+](C)CC1(C)C)n1cc[nH+]c1 ZINC001178709798 842911893 /nfs/dbraw/zinc/91/18/93/842911893.db2.gz RVVOMKVUJCKIFI-WDEREUQCSA-N 2 2 250.346 0.901 20 0 CCADLP C[C@@H](C(=O)N[C@@H]1C[N@@H+](C)CC1(C)C)n1cc[nH+]c1 ZINC001178709798 842911899 /nfs/dbraw/zinc/91/18/99/842911899.db2.gz RVVOMKVUJCKIFI-WDEREUQCSA-N 2 2 250.346 0.901 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CCCO)CCN1C(=O)CCc1[nH+]ccn1C ZINC001179202547 842972715 /nfs/dbraw/zinc/97/27/15/842972715.db2.gz GRQWVQUUVDSFKD-STQMWFEESA-N 2 2 294.399 0.314 20 0 CCADLP NC(=O)C[NH2+]CCCCCCNC(=O)CCn1cc[nH+]c1 ZINC001179176232 842973418 /nfs/dbraw/zinc/97/34/18/842973418.db2.gz NNCZPUCFPXOESS-UHFFFAOYSA-N 2 2 295.387 0.025 20 0 CCADLP O[C@H]1COC[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC001179320511 842989622 /nfs/dbraw/zinc/98/96/22/842989622.db2.gz GBTQHKDFCWDOSQ-NEPJUHHUSA-N 2 2 265.338 0.783 20 0 CCADLP C[C@@H]([NH2+]CCCCCCNC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001179902130 843079124 /nfs/dbraw/zinc/07/91/24/843079124.db2.gz GOYZETOAWVHINO-LLVKDONJSA-N 2 2 295.387 0.092 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001182220550 843757184 /nfs/dbraw/zinc/75/71/84/843757184.db2.gz KSCJSEJKDMZNEW-VXGBXAGGSA-N 2 2 280.372 0.568 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC2CC2)CC1 ZINC001182554364 843852659 /nfs/dbraw/zinc/85/26/59/843852659.db2.gz VALNMWAGRMNQDQ-HNNXBMFYSA-N 2 2 295.427 0.651 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC2CC2)CC1 ZINC001182554364 843852664 /nfs/dbraw/zinc/85/26/64/843852664.db2.gz VALNMWAGRMNQDQ-HNNXBMFYSA-N 2 2 295.427 0.651 20 0 CCADLP Cc1ccc2n[nH]c(C[N@@H+]3C[C@H](O)[C@@H](C[NH3+])C3)c2c1 ZINC001206524975 843859596 /nfs/dbraw/zinc/85/95/96/843859596.db2.gz DSGKELBPPIHGEM-HZMBPMFUSA-N 2 2 260.341 0.623 20 0 CCADLP Cc1ccc2n[nH]c(C[N@H+]3C[C@H](O)[C@@H](C[NH3+])C3)c2c1 ZINC001206524975 843859603 /nfs/dbraw/zinc/85/96/03/843859603.db2.gz DSGKELBPPIHGEM-HZMBPMFUSA-N 2 2 260.341 0.623 20 0 CCADLP O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)[C@@H]1CCC[N@@H+]1CC1CC1 ZINC001182559776 843862329 /nfs/dbraw/zinc/86/23/29/843862329.db2.gz ZKTMTIMRQUMBRP-KGLIPLIRSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)[C@@H]1CCC[N@H+]1CC1CC1 ZINC001182559776 843862336 /nfs/dbraw/zinc/86/23/36/843862336.db2.gz ZKTMTIMRQUMBRP-KGLIPLIRSA-N 2 2 292.383 0.304 20 0 CCADLP COC(=O)c1cnc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)s1 ZINC001205255038 843965618 /nfs/dbraw/zinc/96/56/18/843965618.db2.gz FFYICAIZRSLTDP-ZDUSSCGKSA-N 2 2 299.396 0.605 20 0 CCADLP COC(=O)c1cnc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)s1 ZINC001205255038 843965619 /nfs/dbraw/zinc/96/56/19/843965619.db2.gz FFYICAIZRSLTDP-ZDUSSCGKSA-N 2 2 299.396 0.605 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+]CCCF)C1 ZINC001188368609 844874100 /nfs/dbraw/zinc/87/41/00/844874100.db2.gz FGAYIISVHGQVCW-LLVKDONJSA-N 2 2 254.309 0.433 20 0 CCADLP COCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001190754565 845491407 /nfs/dbraw/zinc/49/14/07/845491407.db2.gz JKRUMVUEROPZQU-YNEHKIRRSA-N 2 2 292.383 0.692 20 0 CCADLP COCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001190754565 845491410 /nfs/dbraw/zinc/49/14/10/845491410.db2.gz JKRUMVUEROPZQU-YNEHKIRRSA-N 2 2 292.383 0.692 20 0 CCADLP COCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001190754565 845491416 /nfs/dbraw/zinc/49/14/16/845491416.db2.gz JKRUMVUEROPZQU-YNEHKIRRSA-N 2 2 292.383 0.692 20 0 CCADLP COCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001190754565 845491423 /nfs/dbraw/zinc/49/14/23/845491423.db2.gz JKRUMVUEROPZQU-YNEHKIRRSA-N 2 2 292.383 0.692 20 0 CCADLP CC(C)OCC[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192560584 845869115 /nfs/dbraw/zinc/86/91/15/845869115.db2.gz QMOZCPUNOKTGPB-AWEZNQCLSA-N 2 2 294.399 0.910 20 0 CCADLP CC(C)OCC[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192560584 845869118 /nfs/dbraw/zinc/86/91/18/845869118.db2.gz QMOZCPUNOKTGPB-AWEZNQCLSA-N 2 2 294.399 0.910 20 0 CCADLP CC(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192581045 845877839 /nfs/dbraw/zinc/87/78/39/845877839.db2.gz RFERVRUVZIOMGB-VXGBXAGGSA-N 2 2 280.372 0.160 20 0 CCADLP CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192581045 845877842 /nfs/dbraw/zinc/87/78/42/845877842.db2.gz RFERVRUVZIOMGB-VXGBXAGGSA-N 2 2 280.372 0.160 20 0 CCADLP COC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001193460326 846080177 /nfs/dbraw/zinc/08/01/77/846080177.db2.gz AZAMPQVPQNKLJN-STQMWFEESA-N 2 2 294.399 0.530 20 0 CCADLP COC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001193460326 846080186 /nfs/dbraw/zinc/08/01/86/846080186.db2.gz AZAMPQVPQNKLJN-STQMWFEESA-N 2 2 294.399 0.530 20 0 CCADLP COCC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001193463200 846081963 /nfs/dbraw/zinc/08/19/63/846081963.db2.gz RXTZRZVIMNNGHK-GFCCVEGCSA-N 2 2 294.399 0.866 20 0 CCADLP COCC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001193463200 846081970 /nfs/dbraw/zinc/08/19/70/846081970.db2.gz RXTZRZVIMNNGHK-GFCCVEGCSA-N 2 2 294.399 0.866 20 0 CCADLP CCNC(=S)NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001195357062 846513289 /nfs/dbraw/zinc/51/32/89/846513289.db2.gz SFHWDZZPQIJVNN-UHFFFAOYSA-N 2 2 258.435 0.496 20 0 CCADLP CC[N@H+](C)CCC(=O)N1CCC[NH+](CCF)CC1 ZINC001197705657 846950355 /nfs/dbraw/zinc/95/03/55/846950355.db2.gz CDWUKNKKHZWCPN-UHFFFAOYSA-N 2 2 259.369 0.832 20 0 CCADLP CC[N@@H+](C)CCC(=O)N1CCC[NH+](CCF)CC1 ZINC001197705657 846950361 /nfs/dbraw/zinc/95/03/61/846950361.db2.gz CDWUKNKKHZWCPN-UHFFFAOYSA-N 2 2 259.369 0.832 20 0 CCADLP CC[NH+](C)CCC(=O)N1CCC[N@H+](CCF)CC1 ZINC001197705657 846950366 /nfs/dbraw/zinc/95/03/66/846950366.db2.gz CDWUKNKKHZWCPN-UHFFFAOYSA-N 2 2 259.369 0.832 20 0 CCADLP CC[NH+](C)CCC(=O)N1CCC[N@@H+](CCF)CC1 ZINC001197705657 846950370 /nfs/dbraw/zinc/95/03/70/846950370.db2.gz CDWUKNKKHZWCPN-UHFFFAOYSA-N 2 2 259.369 0.832 20 0 CCADLP CC(C)OCC[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001198368170 847096443 /nfs/dbraw/zinc/09/64/43/847096443.db2.gz QEQZBIFTFILWQI-UHFFFAOYSA-N 2 2 294.399 0.842 20 0 CCADLP CC(C)OCC[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001198368170 847096447 /nfs/dbraw/zinc/09/64/47/847096447.db2.gz QEQZBIFTFILWQI-UHFFFAOYSA-N 2 2 294.399 0.842 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ncccn1 ZINC001152451602 847114401 /nfs/dbraw/zinc/11/44/01/847114401.db2.gz AAWTUJAOIAKBHI-CYBMUJFWSA-N 2 2 291.399 0.557 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ncccn1 ZINC001152451602 847114405 /nfs/dbraw/zinc/11/44/05/847114405.db2.gz AAWTUJAOIAKBHI-CYBMUJFWSA-N 2 2 291.399 0.557 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@H+](CCC(=O)OC)C1CC1 ZINC001253196328 848155029 /nfs/dbraw/zinc/15/50/29/848155029.db2.gz VACJTKNSDIQKOL-ZDUSSCGKSA-N 2 2 272.389 0.717 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@@H+](CCC(=O)OC)C1CC1 ZINC001253196328 848155033 /nfs/dbraw/zinc/15/50/33/848155033.db2.gz VACJTKNSDIQKOL-ZDUSSCGKSA-N 2 2 272.389 0.717 20 0 CCADLP COC[C@H](C)[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001202674959 848208568 /nfs/dbraw/zinc/20/85/68/848208568.db2.gz WEUHESVYNSEXFA-NSHDSACASA-N 2 2 280.372 0.568 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001274053196 848325935 /nfs/dbraw/zinc/32/59/35/848325935.db2.gz QYDWPURDRXIGOA-BFHYXJOUSA-N 2 2 292.383 0.329 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001274053196 848325943 /nfs/dbraw/zinc/32/59/43/848325943.db2.gz QYDWPURDRXIGOA-BFHYXJOUSA-N 2 2 292.383 0.329 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC/C=C\C[NH2+]CCCO ZINC001274376938 848462907 /nfs/dbraw/zinc/46/29/07/848462907.db2.gz CANPPSJVOSYFIF-LLGAQUFESA-N 2 2 292.383 0.168 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC/C=C\C[NH2+]CC1CCOCC1 ZINC001274464997 848483463 /nfs/dbraw/zinc/48/34/63/848483463.db2.gz SMFYRFYUFGBWRS-UPHRSURJSA-N 2 2 292.383 0.641 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@H](C)[NH2+]CCF ZINC001274822870 848572462 /nfs/dbraw/zinc/57/24/62/848572462.db2.gz VCYHWJJWQGSAEN-VIFPVBQESA-N 2 2 256.325 0.715 20 0 CCADLP COCCC[N@H+]1C[C@H]2CN(CCn3cc[nH+]c3)C[C@@H](C1)O2 ZINC001274940084 848594290 /nfs/dbraw/zinc/59/42/90/848594290.db2.gz SJCJGKCMIISJDF-GASCZTMLSA-N 2 2 294.399 0.305 20 0 CCADLP COCCC[N@@H+]1C[C@H]2CN(CCn3cc[nH+]c3)C[C@@H](C1)O2 ZINC001274940084 848594298 /nfs/dbraw/zinc/59/42/98/848594298.db2.gz SJCJGKCMIISJDF-GASCZTMLSA-N 2 2 294.399 0.305 20 0 CCADLP COCOCCC[NH+]1CC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001274934766 848597822 /nfs/dbraw/zinc/59/78/22/848597822.db2.gz FMBSHGISIYGJOE-UHFFFAOYSA-N 2 2 294.399 0.511 20 0 CCADLP COCCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001275209023 848666618 /nfs/dbraw/zinc/66/66/18/848666618.db2.gz OONUWRQEEQWOTK-QWHCGFSZSA-N 2 2 294.399 0.576 20 0 CCADLP Cc1cc(C[N@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)[nH]n1 ZINC001275211505 848667100 /nfs/dbraw/zinc/66/71/00/848667100.db2.gz XXBLXFZFPXFDOP-GJZGRUSLSA-N 2 2 277.416 0.928 20 0 CCADLP Cc1cc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)[nH]n1 ZINC001275211505 848667106 /nfs/dbraw/zinc/66/71/06/848667106.db2.gz XXBLXFZFPXFDOP-GJZGRUSLSA-N 2 2 277.416 0.928 20 0 CCADLP CCOCC[NH2+]CC1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001275299376 848687538 /nfs/dbraw/zinc/68/75/38/848687538.db2.gz SNVMTGXPSFDFJZ-UHFFFAOYSA-N 2 2 280.372 0.473 20 0 CCADLP C[C@@H](C[NH2+]C/C=C\Cl)NC(=O)Cc1c[nH+]cn1C ZINC001275407762 848712303 /nfs/dbraw/zinc/71/23/03/848712303.db2.gz UFNYCPZYJJAWAM-XOULXFPDSA-N 2 2 270.764 0.809 20 0 CCADLP CC(C)OCC[NH2+][C@H](C)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001275542997 848756126 /nfs/dbraw/zinc/75/61/26/848756126.db2.gz XZFIHVAPEABQOG-OLZOCXBDSA-N 2 2 296.415 0.870 20 0 CCADLP Cc1nc(N(C)CCCNC(=O)[C@H]2CCC[N@@H+]2C)cc[nH+]1 ZINC001095497931 848956559 /nfs/dbraw/zinc/95/65/59/848956559.db2.gz BGLXYMSFRXTWOQ-CYBMUJFWSA-N 2 2 291.399 0.822 20 0 CCADLP Cc1nc(N(C)CCCNC(=O)[C@H]2CCC[N@H+]2C)cc[nH+]1 ZINC001095497931 848956563 /nfs/dbraw/zinc/95/65/63/848956563.db2.gz BGLXYMSFRXTWOQ-CYBMUJFWSA-N 2 2 291.399 0.822 20 0 CCADLP C[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4cocn4)CC3)[C@@H]2C1 ZINC001276235743 848970218 /nfs/dbraw/zinc/97/02/18/848970218.db2.gz NPXYYHWCKRGRPJ-CHWSQXEVSA-N 2 2 290.367 0.317 20 0 CCADLP C[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4cocn4)CC3)[C@@H]2C1 ZINC001276235743 848970220 /nfs/dbraw/zinc/97/02/20/848970220.db2.gz NPXYYHWCKRGRPJ-CHWSQXEVSA-N 2 2 290.367 0.317 20 0 CCADLP C(C[NH+]1CCOCC1)N1CC[NH+]([C@@H]2CCCSC2)CC1 ZINC001257677830 849093719 /nfs/dbraw/zinc/09/37/19/849093719.db2.gz KPRRUXYIAVOCND-OAHLLOKOSA-N 2 2 299.484 0.832 20 0 CCADLP C[N@H+](CCn1cccn1)C[C@@H](O)C[NH+]1CCCC1 ZINC000687539132 849105953 /nfs/dbraw/zinc/10/59/53/849105953.db2.gz HETXXGUKSCOQDA-CYBMUJFWSA-N 2 2 252.362 0.272 20 0 CCADLP C[N@@H+](CCn1cccn1)C[C@@H](O)C[NH+]1CCCC1 ZINC000687539132 849105962 /nfs/dbraw/zinc/10/59/62/849105962.db2.gz HETXXGUKSCOQDA-CYBMUJFWSA-N 2 2 252.362 0.272 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC001114652735 849347463 /nfs/dbraw/zinc/34/74/63/849347463.db2.gz SABMBGKHNMULJL-NHAGDIPZSA-N 2 2 274.368 0.730 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC001114652735 849347470 /nfs/dbraw/zinc/34/74/70/849347470.db2.gz SABMBGKHNMULJL-NHAGDIPZSA-N 2 2 274.368 0.730 20 0 CCADLP C[C@@H](F)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000961895604 849520635 /nfs/dbraw/zinc/52/06/35/849520635.db2.gz JVHXOUZNYLZDRY-WUWHUORYSA-N 2 2 280.347 0.747 20 0 CCADLP C[C@@H](F)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000961895604 849520646 /nfs/dbraw/zinc/52/06/46/849520646.db2.gz JVHXOUZNYLZDRY-WUWHUORYSA-N 2 2 280.347 0.747 20 0 CCADLP COCCOCCOCCC[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000720937948 849566080 /nfs/dbraw/zinc/56/60/80/849566080.db2.gz UFNBGCOKPKWVMO-GJZGRUSLSA-N 2 2 286.416 0.882 20 0 CCADLP COCCOCCOCCC[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000720937948 849566086 /nfs/dbraw/zinc/56/60/86/849566086.db2.gz UFNBGCOKPKWVMO-GJZGRUSLSA-N 2 2 286.416 0.882 20 0 CCADLP O=C(NC[C@H]1CC[N@H+]1CCO)c1ccn2c[nH+]cc2c1 ZINC001038465562 849913219 /nfs/dbraw/zinc/91/32/19/849913219.db2.gz MGCGYBHTPRFQPT-GFCCVEGCSA-N 2 2 274.324 0.131 20 0 CCADLP O=C(NC[C@H]1CC[N@@H+]1CCO)c1ccn2c[nH+]cc2c1 ZINC001038465562 849913224 /nfs/dbraw/zinc/91/32/24/849913224.db2.gz MGCGYBHTPRFQPT-GFCCVEGCSA-N 2 2 274.324 0.131 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@]2(C1)CCC[N@@H+](CCO)C2 ZINC001040421560 850292115 /nfs/dbraw/zinc/29/21/15/850292115.db2.gz GFDPEKJSDCNZKC-HNNXBMFYSA-N 2 2 292.383 0.259 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@]2(C1)CCC[N@H+](CCO)C2 ZINC001040421560 850292128 /nfs/dbraw/zinc/29/21/28/850292128.db2.gz GFDPEKJSDCNZKC-HNNXBMFYSA-N 2 2 292.383 0.259 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@@H]2CC[N@@H+](CCO)[C@@H]2C1 ZINC001042176435 850586918 /nfs/dbraw/zinc/58/69/18/850586918.db2.gz NQHVVUWSPQGLFI-UONOGXRCSA-N 2 2 292.383 0.188 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@@H]2CC[N@H+](CCO)[C@@H]2C1 ZINC001042176435 850586927 /nfs/dbraw/zinc/58/69/27/850586927.db2.gz NQHVVUWSPQGLFI-UONOGXRCSA-N 2 2 292.383 0.188 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]2CC[N@@H+](CCCO)[C@H]2C1 ZINC001042384208 850623214 /nfs/dbraw/zinc/62/32/14/850623214.db2.gz JVDOIJMJFKVKKO-KBPBESRZSA-N 2 2 292.383 0.188 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]2CC[N@H+](CCCO)[C@H]2C1 ZINC001042384208 850623218 /nfs/dbraw/zinc/62/32/18/850623218.db2.gz JVDOIJMJFKVKKO-KBPBESRZSA-N 2 2 292.383 0.188 20 0 CCADLP C[C@@H](F)CC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042546081 850690222 /nfs/dbraw/zinc/69/02/22/850690222.db2.gz QCTVQQARSIRGGV-YPMHNXCESA-N 2 2 271.380 0.971 20 0 CCADLP C[C@@H](F)CC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001042546081 850690227 /nfs/dbraw/zinc/69/02/27/850690227.db2.gz QCTVQQARSIRGGV-YPMHNXCESA-N 2 2 271.380 0.971 20 0 CCADLP CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)C2C[NH+](CCO)C2)C1 ZINC001042900341 850777171 /nfs/dbraw/zinc/77/71/71/850777171.db2.gz QNTYKYDSYPMRKN-ZDUSSCGKSA-N 2 2 283.416 0.099 20 0 CCADLP CC(C)C[N@H+]1CC[C@H](C(=O)N(C)C2C[NH+](CCO)C2)C1 ZINC001042900341 850777178 /nfs/dbraw/zinc/77/71/78/850777178.db2.gz QNTYKYDSYPMRKN-ZDUSSCGKSA-N 2 2 283.416 0.099 20 0 CCADLP CC(C)[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001043628998 850912838 /nfs/dbraw/zinc/91/28/38/850912838.db2.gz NACAILWHTFMAHN-CQSZACIVSA-N 2 2 283.416 0.647 20 0 CCADLP CC(C)[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001043628998 850912849 /nfs/dbraw/zinc/91/28/49/850912849.db2.gz NACAILWHTFMAHN-CQSZACIVSA-N 2 2 283.416 0.647 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001043869556 850954928 /nfs/dbraw/zinc/95/49/28/850954928.db2.gz LNAOYNAYUKANQK-OLZOCXBDSA-N 2 2 283.416 0.648 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001043869556 850954935 /nfs/dbraw/zinc/95/49/35/850954935.db2.gz LNAOYNAYUKANQK-OLZOCXBDSA-N 2 2 283.416 0.648 20 0 CCADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1C[NH+](CCC2CC2)C1 ZINC001043976597 850976104 /nfs/dbraw/zinc/97/61/04/850976104.db2.gz UTDNWPYNQFGPAN-UHFFFAOYSA-N 2 2 262.357 0.895 20 0 CCADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](CCCO)C1 ZINC001044006214 850983912 /nfs/dbraw/zinc/98/39/12/850983912.db2.gz MYOWQXQPNLQBRO-HNNXBMFYSA-N 2 2 297.443 0.774 20 0 CCADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](CCCO)C1 ZINC001044006214 850983915 /nfs/dbraw/zinc/98/39/15/850983915.db2.gz MYOWQXQPNLQBRO-HNNXBMFYSA-N 2 2 297.443 0.774 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001044127862 851017776 /nfs/dbraw/zinc/01/77/76/851017776.db2.gz BRQNUCBTCDFWDY-UHFFFAOYSA-N 2 2 297.443 0.896 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001044182884 851034909 /nfs/dbraw/zinc/03/49/09/851034909.db2.gz LSFUOVCPTAGQHM-KBPBESRZSA-N 2 2 297.443 0.896 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)NC2(C)CC[NH+](CCF)CC2)C1 ZINC001045398054 851247926 /nfs/dbraw/zinc/24/79/26/851247926.db2.gz SKVFTKLBNROBRM-LBPRGKRZSA-N 2 2 287.379 0.257 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)NC2(C)CC[NH+](CCF)CC2)C1 ZINC001045398054 851247934 /nfs/dbraw/zinc/24/79/34/851247934.db2.gz SKVFTKLBNROBRM-LBPRGKRZSA-N 2 2 287.379 0.257 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001048792095 852062791 /nfs/dbraw/zinc/06/27/91/852062791.db2.gz IRPIVEKKAWDRQI-UPJWGTAASA-N 2 2 292.383 0.113 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001048792095 852062797 /nfs/dbraw/zinc/06/27/97/852062797.db2.gz IRPIVEKKAWDRQI-UPJWGTAASA-N 2 2 292.383 0.113 20 0 CCADLP COC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001049130976 852172996 /nfs/dbraw/zinc/17/29/96/852172996.db2.gz CMFFBGHFMOBVHX-RWMBFGLXSA-N 2 2 292.383 0.377 20 0 CCADLP COC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001049130976 852173003 /nfs/dbraw/zinc/17/30/03/852173003.db2.gz CMFFBGHFMOBVHX-RWMBFGLXSA-N 2 2 292.383 0.377 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2C[N@@H+](CCF)C[C@@H]2C1 ZINC001049131425 852173863 /nfs/dbraw/zinc/17/38/63/852173863.db2.gz LUIPUIIQKOZSFG-PHIMTYICSA-N 2 2 266.320 0.312 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2C[N@H+](CCF)C[C@@H]2C1 ZINC001049131425 852173856 /nfs/dbraw/zinc/17/38/56/852173856.db2.gz LUIPUIIQKOZSFG-PHIMTYICSA-N 2 2 266.320 0.312 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001049190234 852187247 /nfs/dbraw/zinc/18/72/47/852187247.db2.gz KUYYGJIRAZHUNZ-BETUJISGSA-N 2 2 292.383 0.033 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC001049190234 852187248 /nfs/dbraw/zinc/18/72/48/852187248.db2.gz KUYYGJIRAZHUNZ-BETUJISGSA-N 2 2 292.383 0.033 20 0 CCADLP CC(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1cc[nH+]c1)CO2 ZINC001054024190 852871359 /nfs/dbraw/zinc/87/13/59/852871359.db2.gz LFPWGHCEFPFQEQ-CYBMUJFWSA-N 2 2 292.383 0.499 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C)[C@H]([NH2+]CCO)C2)c[nH+]1 ZINC001054791813 853016482 /nfs/dbraw/zinc/01/64/82/853016482.db2.gz WMRUFZRWYWCCJB-DGCLKSJQSA-N 2 2 294.399 0.355 20 0 CCADLP CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001051246355 853555747 /nfs/dbraw/zinc/55/57/47/853555747.db2.gz XWNOMZYBAWXICD-CHWSQXEVSA-N 2 2 269.389 0.165 20 0 CCADLP CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001051246355 853555749 /nfs/dbraw/zinc/55/57/49/853555749.db2.gz XWNOMZYBAWXICD-CHWSQXEVSA-N 2 2 269.389 0.165 20 0 CCADLP CCC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001051246355 853555752 /nfs/dbraw/zinc/55/57/52/853555752.db2.gz XWNOMZYBAWXICD-CHWSQXEVSA-N 2 2 269.389 0.165 20 0 CCADLP CCC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001051246355 853555755 /nfs/dbraw/zinc/55/57/55/853555755.db2.gz XWNOMZYBAWXICD-CHWSQXEVSA-N 2 2 269.389 0.165 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H](C[NH2+]C(C)C)C1 ZINC001051917595 853659672 /nfs/dbraw/zinc/65/96/72/853659672.db2.gz CXEMLHWASABTCI-LBPRGKRZSA-N 2 2 280.372 0.486 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C[C@H]1CCCCO1 ZINC000384456841 853870517 /nfs/dbraw/zinc/87/05/17/853870517.db2.gz QCEFYKBHJNKCSQ-ZIAGYGMSSA-N 2 2 256.390 0.944 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C[C@H]1CCCCO1 ZINC000384456841 853870522 /nfs/dbraw/zinc/87/05/22/853870522.db2.gz QCEFYKBHJNKCSQ-ZIAGYGMSSA-N 2 2 256.390 0.944 20 0 CCADLP CC(C)NC(=O)[C@H](C)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000385598076 853896434 /nfs/dbraw/zinc/89/64/34/853896434.db2.gz KLMFQZBLJAERPR-MCDVFOBDSA-N 2 2 251.374 0.486 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000394603607 854231715 /nfs/dbraw/zinc/23/17/15/854231715.db2.gz QIGIUVJQGIBIKP-HOTGVXAUSA-N 2 2 297.443 0.240 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000394603607 854231723 /nfs/dbraw/zinc/23/17/23/854231723.db2.gz QIGIUVJQGIBIKP-HOTGVXAUSA-N 2 2 297.443 0.240 20 0 CCADLP CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001072123271 854350314 /nfs/dbraw/zinc/35/03/14/854350314.db2.gz QDPBFEQVGJKORP-NEPJUHHUSA-N 2 2 250.346 0.872 20 0 CCADLP CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001072123271 854350318 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CO[C@@H](C)C[NH2+][C@H](CNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001482555783 894235574 /nfs/dbraw/zinc/23/55/74/894235574.db2.gz DOSJPHXTVNGOPW-WCQYABFASA-N 2 2 282.388 0.718 20 0 CCADLP C[C@@H](O)C[N@H+](C)CCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001482632634 894433015 /nfs/dbraw/zinc/43/30/15/894433015.db2.gz RAFNRSJDCJCQGZ-CHWSQXEVSA-N 2 2 282.388 0.605 20 0 CCADLP C[C@@H](O)C[N@@H+](C)CCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001482632634 894433024 /nfs/dbraw/zinc/43/30/24/894433024.db2.gz RAFNRSJDCJCQGZ-CHWSQXEVSA-N 2 2 282.388 0.605 20 0 CCADLP C[C@H](O)CCC[N@H+](C)CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001482637166 894439239 /nfs/dbraw/zinc/43/92/39/894439239.db2.gz BWKAYSBYWUZROP-LBPRGKRZSA-N 2 2 282.388 0.503 20 0 CCADLP C[C@H](O)CCC[N@@H+](C)CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001482637166 894439247 /nfs/dbraw/zinc/43/92/47/894439247.db2.gz BWKAYSBYWUZROP-LBPRGKRZSA-N 2 2 282.388 0.503 20 0 CCADLP CCc1noc([C@H](C)[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001483162803 895047136 /nfs/dbraw/zinc/04/71/36/895047136.db2.gz OACLLYZONGNHEP-MNOVXSKESA-N 2 2 297.403 0.739 20 0 CCADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)[NH2+]Cc1cnns1 ZINC001409481220 895202956 /nfs/dbraw/zinc/20/29/56/895202956.db2.gz XJOCKXYGCQAIKS-NXEZZACHSA-N 2 2 294.384 0.418 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)CC[C@H]1CCOC1 ZINC001409661770 895320853 /nfs/dbraw/zinc/32/08/53/895320853.db2.gz RRKMQAJMCKPTKR-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)CC[C@H]1CCOC1 ZINC001409661770 895320864 /nfs/dbraw/zinc/32/08/64/895320864.db2.gz RRKMQAJMCKPTKR-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1nc(C)no1)[NH+](C)C ZINC001483240055 895368247 /nfs/dbraw/zinc/36/82/47/895368247.db2.gz LLZWGBFGCJJONK-JBLDHEPKSA-N 2 2 297.403 0.874 20 0 CCADLP C[C@@H](CC[NH2+]CCO)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001497287843 895680215 /nfs/dbraw/zinc/68/02/15/895680215.db2.gz ZZKSAPKSJFXUJA-RYUDHWBXSA-N 2 2 268.361 0.311 20 0 CCADLP COCC[NH2+]C1(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001483748680 895981089 /nfs/dbraw/zinc/98/10/89/895981089.db2.gz YFLCFABDEIHBSG-LBPRGKRZSA-N 2 2 292.383 0.330 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001483916732 896112077 /nfs/dbraw/zinc/11/20/77/896112077.db2.gz CDNBONXBAZQEMI-OLZOCXBDSA-N 2 2 280.372 0.499 20 0 CCADLP COCCC[N@@H+]1CC[C@@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001484055530 896178502 /nfs/dbraw/zinc/17/85/02/896178502.db2.gz ZCDZJOHRHGPPAL-OAHLLOKOSA-N 2 2 294.399 0.890 20 0 CCADLP COCCC[N@H+]1CC[C@@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001484055530 896178511 /nfs/dbraw/zinc/17/85/11/896178511.db2.gz ZCDZJOHRHGPPAL-OAHLLOKOSA-N 2 2 294.399 0.890 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@](C)(C[NH2+]C[C@H](C)O)C1 ZINC001484122631 896201107 /nfs/dbraw/zinc/20/11/07/896201107.db2.gz IDNXCPGNIJZFGY-NHYWBVRUSA-N 2 2 294.399 0.470 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCO[C@@H](C[NH2+]CCF)C1 ZINC001484681015 896525816 /nfs/dbraw/zinc/52/58/16/896525816.db2.gz RWWRZLGOCWDKJT-QJPTWQEYSA-N 2 2 296.346 0.300 20 0 CCADLP CCC[NH+]1CC([C@H](C)NC(=O)Cc2c[nH+]cn2C)C1 ZINC001485533714 897113079 /nfs/dbraw/zinc/11/30/79/897113079.db2.gz SQMCDSVEWKCBLA-NSHDSACASA-N 2 2 264.373 0.809 20 0 CCADLP COC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001485692506 897190233 /nfs/dbraw/zinc/19/02/33/897190233.db2.gz QSZYWBBNABPVOB-IHRRRGAJSA-N 2 2 294.399 0.793 20 0 CCADLP C[C@H]1CC[C@H](C)N1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336940731 921119735 /nfs/dbraw/zinc/11/97/35/921119735.db2.gz GCVOXIAKWCQMTQ-RYUDHWBXSA-N 2 2 268.405 0.992 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1CNC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001326844474 914225547 /nfs/dbraw/zinc/22/55/47/914225547.db2.gz UGAAVFDMLZKERJ-JKSUJKDBSA-N 2 2 296.459 0.075 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1CNC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001326844474 914225561 /nfs/dbraw/zinc/22/55/61/914225561.db2.gz UGAAVFDMLZKERJ-JKSUJKDBSA-N 2 2 296.459 0.075 20 0 CCADLP CCC[NH+]1CC(N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001043139139 898371261 /nfs/dbraw/zinc/37/12/61/898371261.db2.gz DXIIYOKPZACSAW-LBPRGKRZSA-N 2 2 276.384 0.998 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cnsn1 ZINC001485962571 898531003 /nfs/dbraw/zinc/53/10/03/898531003.db2.gz ZYYZWBYIBYFTNR-LLVKDONJSA-N 2 2 299.444 0.815 20 0 CCADLP CC(C)N(CC[N@H+](C)CCO)C(=O)CCn1cc[nH+]c1 ZINC001486373483 898840966 /nfs/dbraw/zinc/84/09/66/898840966.db2.gz WCSYICFYIVPEJO-UHFFFAOYSA-N 2 2 282.388 0.434 20 0 CCADLP CC(C)N(CC[N@@H+](C)CCO)C(=O)CCn1cc[nH+]c1 ZINC001486373483 898840973 /nfs/dbraw/zinc/84/09/73/898840973.db2.gz WCSYICFYIVPEJO-UHFFFAOYSA-N 2 2 282.388 0.434 20 0 CCADLP CN(C[C@@H](O)C[N@H+](C)CCCF)C(=O)Cc1[nH]cc[nH+]1 ZINC001411178995 899714458 /nfs/dbraw/zinc/71/44/58/899714458.db2.gz JBODGJIJBSCSOW-NSHDSACASA-N 2 2 286.351 0.063 20 0 CCADLP CN(C[C@@H](O)C[N@@H+](C)CCCF)C(=O)Cc1[nH]cc[nH+]1 ZINC001411178995 899714468 /nfs/dbraw/zinc/71/44/68/899714468.db2.gz JBODGJIJBSCSOW-NSHDSACASA-N 2 2 286.351 0.063 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CCOC1CCC1 ZINC001134397649 899833215 /nfs/dbraw/zinc/83/32/15/899833215.db2.gz QTCIAPFZTFYRSU-UHFFFAOYSA-N 2 2 266.345 0.227 20 0 CCADLP COC(=O)c1ccnc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)c1 ZINC001205724989 900052806 /nfs/dbraw/zinc/05/28/06/900052806.db2.gz BVUMHUILPNQNKL-OAHLLOKOSA-N 2 2 293.367 0.544 20 0 CCADLP COC(=O)c1ccnc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c1 ZINC001205724989 900052810 /nfs/dbraw/zinc/05/28/10/900052810.db2.gz BVUMHUILPNQNKL-OAHLLOKOSA-N 2 2 293.367 0.544 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CCn1cc[nH+]c1 ZINC001488645186 900326688 /nfs/dbraw/zinc/32/66/88/900326688.db2.gz NSMVGPSCFQWAKJ-KBPBESRZSA-N 2 2 294.399 0.841 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CCn1cc[nH+]c1 ZINC001488645186 900326700 /nfs/dbraw/zinc/32/67/00/900326700.db2.gz NSMVGPSCFQWAKJ-KBPBESRZSA-N 2 2 294.399 0.841 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)NC2(C[NH2+]CC3CC3)CCCC2)C1 ZINC001495138884 900447212 /nfs/dbraw/zinc/44/72/12/900447212.db2.gz DLRWXOUAUVAWFJ-CQSZACIVSA-N 2 2 295.427 0.746 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)NC2(C[NH2+]CC3CC3)CCCC2)C1 ZINC001495138884 900447225 /nfs/dbraw/zinc/44/72/25/900447225.db2.gz DLRWXOUAUVAWFJ-CQSZACIVSA-N 2 2 295.427 0.746 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)Cc1cnn(C)n1 ZINC001490282409 900588276 /nfs/dbraw/zinc/58/82/76/900588276.db2.gz WINBOWLUCBJIMN-UHFFFAOYSA-N 2 2 296.419 0.093 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NCCC[NH+](C)Cc1cnn(C)n1 ZINC001490282409 900588291 /nfs/dbraw/zinc/58/82/91/900588291.db2.gz WINBOWLUCBJIMN-UHFFFAOYSA-N 2 2 296.419 0.093 20 0 CCADLP CC(C)[NH+](C)CC(=O)NCCC[N@@H+](C)Cc1cnn(C)n1 ZINC001490282409 900588312 /nfs/dbraw/zinc/58/83/12/900588312.db2.gz WINBOWLUCBJIMN-UHFFFAOYSA-N 2 2 296.419 0.093 20 0 CCADLP COC[C@H](C)[NH2+][C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001490737535 900711949 /nfs/dbraw/zinc/71/19/49/900711949.db2.gz LCWJOTXWJMJPJF-HZMBPMFUSA-N 2 2 294.399 0.780 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@H](C)n2cc[nH+]c2)CC1 ZINC001411923623 901332131 /nfs/dbraw/zinc/33/21/31/901332131.db2.gz AXQMKLJFSRHPPI-QWHCGFSZSA-N 2 2 280.372 0.359 20 0 CCADLP CC[C@@H](C(=O)N1CC([NH+](C)C)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC001411986121 901376581 /nfs/dbraw/zinc/37/65/81/901376581.db2.gz GYTSNDBKJDKOME-KGLIPLIRSA-N 2 2 283.416 0.648 20 0 CCADLP CC[C@@H](C(=O)N1CC([NH+](C)C)C1)[N@H+]1CCO[C@H](CC)C1 ZINC001411986121 901376589 /nfs/dbraw/zinc/37/65/89/901376589.db2.gz GYTSNDBKJDKOME-KGLIPLIRSA-N 2 2 283.416 0.648 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](CC[NH2+]CCO)C1 ZINC001326419636 901423016 /nfs/dbraw/zinc/42/30/16/901423016.db2.gz QNAXHHNPKJHHNE-GFCCVEGCSA-N 2 2 280.372 0.081 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)o1 ZINC001412545525 901811046 /nfs/dbraw/zinc/81/10/46/901811046.db2.gz SYJJZKFVXNNYNJ-LBPRGKRZSA-N 2 2 294.399 0.317 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)o1 ZINC001412545525 901811062 /nfs/dbraw/zinc/81/10/62/901811062.db2.gz SYJJZKFVXNNYNJ-LBPRGKRZSA-N 2 2 294.399 0.317 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H](C)CC[NH+](C)C ZINC001412637790 901896165 /nfs/dbraw/zinc/89/61/65/901896165.db2.gz JINZECLFZNETDH-UONOGXRCSA-N 2 2 285.432 0.801 20 0 CCADLP Cn1cc([C@H]2CCC[N@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)nn1 ZINC001413092447 902700187 /nfs/dbraw/zinc/70/01/87/902700187.db2.gz RWKHCHPXACPORM-JSGCOSHPSA-N 2 2 293.415 0.450 20 0 CCADLP Cn1cc([C@H]2CCC[N@@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)nn1 ZINC001413092447 902700197 /nfs/dbraw/zinc/70/01/97/902700197.db2.gz RWKHCHPXACPORM-JSGCOSHPSA-N 2 2 293.415 0.450 20 0 CCADLP Cn1cc([C@H]2CCC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)C2)nn1 ZINC001413092447 902700210 /nfs/dbraw/zinc/70/02/10/902700210.db2.gz RWKHCHPXACPORM-JSGCOSHPSA-N 2 2 293.415 0.450 20 0 CCADLP Cn1cc([C@H]2CCC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)C2)nn1 ZINC001413092447 902700220 /nfs/dbraw/zinc/70/02/20/902700220.db2.gz RWKHCHPXACPORM-JSGCOSHPSA-N 2 2 293.415 0.450 20 0 CCADLP C[N@H+](CCCO)C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001398460991 914664341 /nfs/dbraw/zinc/66/43/41/914664341.db2.gz GFNAJVSPROFUDJ-ZDUSSCGKSA-N 2 2 294.399 0.505 20 0 CCADLP C[N@@H+](CCCO)C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001398460991 914664352 /nfs/dbraw/zinc/66/43/52/914664352.db2.gz GFNAJVSPROFUDJ-ZDUSSCGKSA-N 2 2 294.399 0.505 20 0 CCADLP COCC[N@@H+]1CCC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001491125167 903386926 /nfs/dbraw/zinc/38/69/26/903386926.db2.gz HOGFMGCGIFOEIX-CYBMUJFWSA-N 2 2 294.399 0.437 20 0 CCADLP COCC[N@H+]1CCC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001491125167 903386943 /nfs/dbraw/zinc/38/69/43/903386943.db2.gz HOGFMGCGIFOEIX-CYBMUJFWSA-N 2 2 294.399 0.437 20 0 CCADLP Cc1noc(C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C2CCC2)n1 ZINC001491482008 903618297 /nfs/dbraw/zinc/61/82/97/903618297.db2.gz VGFYTICBJZUJCF-SNVBAGLBSA-N 2 2 295.387 0.457 20 0 CCADLP Cc1noc(C[NH2+][C@H](C)CNC(=O)C[N@@H+](C)C2CCC2)n1 ZINC001491482008 903618304 /nfs/dbraw/zinc/61/83/04/903618304.db2.gz VGFYTICBJZUJCF-SNVBAGLBSA-N 2 2 295.387 0.457 20 0 CCADLP C[C@H](C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C)n1cc[nH+]c1 ZINC001328594472 915298553 /nfs/dbraw/zinc/29/85/53/915298553.db2.gz VZAXJJUQOFMHNJ-DDHJBXDOSA-N 2 2 250.346 0.947 20 0 CCADLP COCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001283619096 904935708 /nfs/dbraw/zinc/93/57/08/904935708.db2.gz YDNSEUHRMLUXAH-IJLUTSLNSA-N 2 2 280.372 0.596 20 0 CCADLP COCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001283619096 904935717 /nfs/dbraw/zinc/93/57/17/904935717.db2.gz YDNSEUHRMLUXAH-IJLUTSLNSA-N 2 2 280.372 0.596 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001398824819 914864119 /nfs/dbraw/zinc/86/41/19/914864119.db2.gz NFCMEMHXCWBKRG-SFYZRTLMSA-N 2 2 292.383 0.016 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001398824819 914864143 /nfs/dbraw/zinc/86/41/43/914864143.db2.gz NFCMEMHXCWBKRG-SFYZRTLMSA-N 2 2 292.383 0.016 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001398824819 914864164 /nfs/dbraw/zinc/86/41/64/914864164.db2.gz NFCMEMHXCWBKRG-SFYZRTLMSA-N 2 2 292.383 0.016 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001398824819 914864185 /nfs/dbraw/zinc/86/41/85/914864185.db2.gz NFCMEMHXCWBKRG-SFYZRTLMSA-N 2 2 292.383 0.016 20 0 CCADLP CCC[NH2+][C@H](CO)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001283813719 905031983 /nfs/dbraw/zinc/03/19/83/905031983.db2.gz PZXXTLLKQVYHLE-PWSUYJOCSA-N 2 2 268.361 0.065 20 0 CCADLP CCC[NH2+][C@H](CO)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001283813719 905032002 /nfs/dbraw/zinc/03/20/02/905032002.db2.gz PZXXTLLKQVYHLE-PWSUYJOCSA-N 2 2 268.361 0.065 20 0 CCADLP CCC[NH2+][C@H](CO)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001283813718 905033971 /nfs/dbraw/zinc/03/39/71/905033971.db2.gz PZXXTLLKQVYHLE-JQWIXIFHSA-N 2 2 268.361 0.065 20 0 CCADLP CCC[NH2+][C@H](CO)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001283813718 905033990 /nfs/dbraw/zinc/03/39/90/905033990.db2.gz PZXXTLLKQVYHLE-JQWIXIFHSA-N 2 2 268.361 0.065 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)[C@H](C)[NH2+]CCO)c[nH+]1 ZINC001377899072 905229275 /nfs/dbraw/zinc/22/92/75/905229275.db2.gz WAMVTKVLLNYTEC-NWDGAFQWSA-N 2 2 282.388 0.402 20 0 CCADLP C[C@@H](CCCCO)NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336963098 921130366 /nfs/dbraw/zinc/13/03/66/921130366.db2.gz HKRMVDTZUMIHRX-LBPRGKRZSA-N 2 2 286.420 0.260 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CC1CC1 ZINC001336980089 921137493 /nfs/dbraw/zinc/13/74/93/921137493.db2.gz CPGDVUJUVQAMQQ-CHWSQXEVSA-N 2 2 269.389 0.341 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]([NH3+])CC1CC1 ZINC001336980089 921137496 /nfs/dbraw/zinc/13/74/96/921137496.db2.gz CPGDVUJUVQAMQQ-CHWSQXEVSA-N 2 2 269.389 0.341 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCCC1CC[NH+](CCO)CC1 ZINC001378483438 905633804 /nfs/dbraw/zinc/63/38/04/905633804.db2.gz LCAFTWUXYJHVFJ-UHFFFAOYSA-N 2 2 280.372 0.163 20 0 CCADLP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1nnc(C)[nH]1)[NH+](C)C ZINC001378778015 905815132 /nfs/dbraw/zinc/81/51/32/905815132.db2.gz MJJBYWBVTLVWQA-ZYHUDNBSSA-N 2 2 296.419 0.390 20 0 CCADLP Nc1cc[nH+]c(CNC(=O)/C=C/C[NH+]2CCOCC2)c1 ZINC001337095905 921185380 /nfs/dbraw/zinc/18/53/80/921185380.db2.gz WTPVRFTXYXOKPM-OWOJBTEDSA-N 2 2 276.340 0.168 20 0 CCADLP CO[C@@H](C)C[N@H+](C)CCN(C)C(=O)CCn1cc[nH+]c1 ZINC001379082235 905983359 /nfs/dbraw/zinc/98/33/59/905983359.db2.gz GTVSTNLDEXORJE-ZDUSSCGKSA-N 2 2 282.388 0.698 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)CCN(C)C(=O)CCn1cc[nH+]c1 ZINC001379082235 905983370 /nfs/dbraw/zinc/98/33/70/905983370.db2.gz GTVSTNLDEXORJE-ZDUSSCGKSA-N 2 2 282.388 0.698 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H](O)C[NH2+]CC1CC1 ZINC001379246631 906088345 /nfs/dbraw/zinc/08/83/45/906088345.db2.gz KMRYNVUFNTXXAO-JHJVBQTASA-N 2 2 292.383 0.000 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N(C)C[C@@H](C)[NH2+]C[C@@H](C)O)c[nH+]1 ZINC001379253373 906093618 /nfs/dbraw/zinc/09/36/18/906093618.db2.gz SKQYUUAPWYPJOD-DGCLKSJQSA-N 2 2 296.415 0.744 20 0 CCADLP C[C@H](C[NH2+]C[C@@H]1CC(C)(C)CO1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001379453693 906252711 /nfs/dbraw/zinc/25/27/11/906252711.db2.gz PBMKPCZMBIEMEB-NEPJUHHUSA-N 2 2 294.399 0.862 20 0 CCADLP Cc1ccnc(C[NH2+]C[C@@H](C)NC(=O)C[NH+]2CCCC2)n1 ZINC001379469449 906267179 /nfs/dbraw/zinc/26/71/79/906267179.db2.gz NHCATZKAPORBHT-CYBMUJFWSA-N 2 2 291.399 0.475 20 0 CCADLP C[C@@H](C[NH2+]Cc1nncs1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001379489791 906290833 /nfs/dbraw/zinc/29/08/33/906290833.db2.gz JRHHEBUGMHDDAE-VHSXEESVSA-N 2 2 283.401 0.227 20 0 CCADLP C[C@@H](C[NH2+]Cc1nncs1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001379489791 906290848 /nfs/dbraw/zinc/29/08/48/906290848.db2.gz JRHHEBUGMHDDAE-VHSXEESVSA-N 2 2 283.401 0.227 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC001379592736 906364435 /nfs/dbraw/zinc/36/44/35/906364435.db2.gz CNEGGOCONLYPNG-QWRGUYRKSA-N 2 2 296.419 0.610 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC001379592736 906364449 /nfs/dbraw/zinc/36/44/49/906364449.db2.gz CNEGGOCONLYPNG-QWRGUYRKSA-N 2 2 296.419 0.610 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnns1)NC(=O)Cn1cc[nH+]c1 ZINC001379603614 906372922 /nfs/dbraw/zinc/37/29/22/906372922.db2.gz AENXYYAQRFYISO-VIFPVBQESA-N 2 2 280.357 0.029 20 0 CCADLP C[C@H](C[N@H+](C)CC[C@H]1CCOC1)NC(=O)Cn1cc[nH+]c1 ZINC001379812359 906492244 /nfs/dbraw/zinc/49/22/44/906492244.db2.gz XIUZHNHWQDOOST-KGLIPLIRSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@H](C[N@@H+](C)CC[C@H]1CCOC1)NC(=O)Cn1cc[nH+]c1 ZINC001379812359 906492249 /nfs/dbraw/zinc/49/22/49/906492249.db2.gz XIUZHNHWQDOOST-KGLIPLIRSA-N 2 2 294.399 0.746 20 0 CCADLP Cc1oncc1C[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001380018649 906589464 /nfs/dbraw/zinc/58/94/64/906589464.db2.gz SBZGTXOTOHCGCE-ZDUSSCGKSA-N 2 2 280.372 0.625 20 0 CCADLP Cc1oncc1C[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001380018649 906589478 /nfs/dbraw/zinc/58/94/78/906589478.db2.gz SBZGTXOTOHCGCE-ZDUSSCGKSA-N 2 2 280.372 0.625 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[C@H]1[NH3+] ZINC001335307474 906649783 /nfs/dbraw/zinc/64/97/83/906649783.db2.gz DPEBDYKLAFTWOU-DDHJBXDOSA-N 2 2 262.357 0.719 20 0 CCADLP CC[C@H](C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CC1)OC ZINC001380167043 906665072 /nfs/dbraw/zinc/66/50/72/906665072.db2.gz DNZLFDZMOWLGLS-GFCCVEGCSA-N 2 2 280.372 0.547 20 0 CCADLP OCCOCC1(O)CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC001337584573 921273155 /nfs/dbraw/zinc/27/31/55/921273155.db2.gz AWJGNHCKVAZCFU-UHFFFAOYSA-N 2 2 283.372 0.109 20 0 CCADLP CN(CCC[N@H+](C)CCO)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001380969637 907023987 /nfs/dbraw/zinc/02/39/87/907023987.db2.gz HDHPEQNKMFOUCF-ZDUSSCGKSA-N 2 2 294.399 0.218 20 0 CCADLP CN(CCC[N@@H+](C)CCO)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001380969637 907024004 /nfs/dbraw/zinc/02/40/04/907024004.db2.gz HDHPEQNKMFOUCF-ZDUSSCGKSA-N 2 2 294.399 0.218 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccn(C)n1 ZINC001381616056 907332413 /nfs/dbraw/zinc/33/24/13/907332413.db2.gz DNGVFMJAMBWENB-QWHCGFSZSA-N 2 2 293.415 0.308 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)Cc1ccn(C)n1 ZINC001381616056 907332427 /nfs/dbraw/zinc/33/24/27/907332427.db2.gz DNGVFMJAMBWENB-QWHCGFSZSA-N 2 2 293.415 0.308 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@H+](C)Cc1ccn(C)n1 ZINC001381616056 907332444 /nfs/dbraw/zinc/33/24/44/907332444.db2.gz DNGVFMJAMBWENB-QWHCGFSZSA-N 2 2 293.415 0.308 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@@H+](C)Cc1ccn(C)n1 ZINC001381616056 907332460 /nfs/dbraw/zinc/33/24/60/907332460.db2.gz DNGVFMJAMBWENB-QWHCGFSZSA-N 2 2 293.415 0.308 20 0 CCADLP CC(C)C[NH2+][C@@H](C)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001381935668 907460179 /nfs/dbraw/zinc/46/01/79/907460179.db2.gz DWVPDTUASULMSN-UONOGXRCSA-N 2 2 294.399 0.745 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001381963585 907475600 /nfs/dbraw/zinc/47/56/00/907475600.db2.gz SBWYKLPYWDBPJW-OBJOEFQTSA-N 2 2 294.399 0.862 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001381963585 907475605 /nfs/dbraw/zinc/47/56/05/907475605.db2.gz SBWYKLPYWDBPJW-OBJOEFQTSA-N 2 2 294.399 0.862 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001382041560 907502692 /nfs/dbraw/zinc/50/26/92/907502692.db2.gz PDXZIQKGZJVQCV-TZMCWYRMSA-N 2 2 294.399 0.745 20 0 CCADLP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1nncs1 ZINC001491674021 907527237 /nfs/dbraw/zinc/52/72/37/907527237.db2.gz KYWRPVJFYHIGAD-JTQLQIEISA-N 2 2 283.401 0.228 20 0 CCADLP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1csnn1 ZINC001382112350 907553164 /nfs/dbraw/zinc/55/31/64/907553164.db2.gz LFRBZFMDAWSFTQ-JTQLQIEISA-N 2 2 285.417 0.426 20 0 CCADLP CC(C)CC[NH2+][C@@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001382268420 907650964 /nfs/dbraw/zinc/65/09/64/907650964.db2.gz WJWQYZJEQTVMAW-GFCCVEGCSA-N 2 2 282.388 0.075 20 0 CCADLP CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001492251663 907804529 /nfs/dbraw/zinc/80/45/29/907804529.db2.gz UFBROXPDMBFCCZ-ZDUSSCGKSA-N 2 2 298.431 0.043 20 0 CCADLP CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001492251663 907804540 /nfs/dbraw/zinc/80/45/40/907804540.db2.gz UFBROXPDMBFCCZ-ZDUSSCGKSA-N 2 2 298.431 0.043 20 0 CCADLP CCNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001492251663 907804545 /nfs/dbraw/zinc/80/45/45/907804545.db2.gz UFBROXPDMBFCCZ-ZDUSSCGKSA-N 2 2 298.431 0.043 20 0 CCADLP CCNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001492251663 907804562 /nfs/dbraw/zinc/80/45/62/907804562.db2.gz UFBROXPDMBFCCZ-ZDUSSCGKSA-N 2 2 298.431 0.043 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@@H](C)C(N)=O ZINC001492315351 907842040 /nfs/dbraw/zinc/84/20/40/907842040.db2.gz CIIHVFPTNMRWRD-STQMWFEESA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@@H](C)C(N)=O ZINC001492315351 907842051 /nfs/dbraw/zinc/84/20/51/907842051.db2.gz CIIHVFPTNMRWRD-STQMWFEESA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)C[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@@H](C)C(N)=O ZINC001492315351 907842063 /nfs/dbraw/zinc/84/20/63/907842063.db2.gz CIIHVFPTNMRWRD-STQMWFEESA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)C[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@@H](C)C(N)=O ZINC001492315351 907842078 /nfs/dbraw/zinc/84/20/78/907842078.db2.gz CIIHVFPTNMRWRD-STQMWFEESA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)[C@@H](C)C(N)=O ZINC001492315349 907843741 /nfs/dbraw/zinc/84/37/41/907843741.db2.gz CIIHVFPTNMRWRD-QWHCGFSZSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)[C@@H](C)C(N)=O ZINC001492315349 907843748 /nfs/dbraw/zinc/84/37/48/907843748.db2.gz CIIHVFPTNMRWRD-QWHCGFSZSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)[C@@H](C)C(N)=O ZINC001492315349 907843759 /nfs/dbraw/zinc/84/37/59/907843759.db2.gz CIIHVFPTNMRWRD-QWHCGFSZSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)[C@@H](C)C(N)=O ZINC001492315349 907843775 /nfs/dbraw/zinc/84/37/75/907843775.db2.gz CIIHVFPTNMRWRD-QWHCGFSZSA-N 2 2 298.431 0.029 20 0 CCADLP C[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C[C@H]1CC(C)(C)CO1 ZINC001492475677 907938644 /nfs/dbraw/zinc/93/86/44/907938644.db2.gz ZQMWOOAMAJZILO-GFCCVEGCSA-N 2 2 294.399 0.815 20 0 CCADLP C[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C[C@H]1CC(C)(C)CO1 ZINC001492475677 907938660 /nfs/dbraw/zinc/93/86/60/907938660.db2.gz ZQMWOOAMAJZILO-GFCCVEGCSA-N 2 2 294.399 0.815 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CCn2c[nH+]cc2C1)C[NH+]1CCCC1 ZINC001336815172 907998265 /nfs/dbraw/zinc/99/82/65/907998265.db2.gz YQPYMTVWSXIZRC-TZMCWYRMSA-N 3 2 264.373 0.244 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[N@H+](C)CC1(C)C ZINC001303990671 908134201 /nfs/dbraw/zinc/13/42/01/908134201.db2.gz YWMIWVCPONMZBV-NSHDSACASA-N 2 2 264.373 0.809 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[N@@H+](C)CC1(C)C ZINC001303990671 908134209 /nfs/dbraw/zinc/13/42/09/908134209.db2.gz YWMIWVCPONMZBV-NSHDSACASA-N 2 2 264.373 0.809 20 0 CCADLP CCn1ncc(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)n1 ZINC001308249038 908401042 /nfs/dbraw/zinc/40/10/42/908401042.db2.gz QOUNZYQTSGQWBN-LBPRGKRZSA-N 2 2 266.393 0.024 20 0 CCADLP [NH3+][C@H](CC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)C(F)F ZINC001340149196 908509473 /nfs/dbraw/zinc/50/94/73/908509473.db2.gz QRLFLDWILKAQIW-SKDRFNHKSA-N 2 2 261.316 0.571 20 0 CCADLP C[C@@H](O)C[N@H+](C)CCCNC(=O)CCc1c[nH+]cn1C ZINC001316864004 908544093 /nfs/dbraw/zinc/54/40/93/908544093.db2.gz VOGAJEHEAWZECY-GFCCVEGCSA-N 2 2 282.388 0.172 20 0 CCADLP C[C@@H](O)C[N@@H+](C)CCCNC(=O)CCc1c[nH+]cn1C ZINC001316864004 908544106 /nfs/dbraw/zinc/54/41/06/908544106.db2.gz VOGAJEHEAWZECY-GFCCVEGCSA-N 2 2 282.388 0.172 20 0 CCADLP [NH3+][C@H](CC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)C(F)F ZINC001340905193 908556511 /nfs/dbraw/zinc/55/65/11/908556511.db2.gz FMIDVCLRGYWXNX-AATLWQCWSA-N 2 2 261.316 0.555 20 0 CCADLP CCOCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001316992266 908904508 /nfs/dbraw/zinc/90/45/08/908904508.db2.gz YBAGQCQGORMPSO-ZDUSSCGKSA-N 2 2 294.399 0.580 20 0 CCADLP CCOCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001316992266 908904521 /nfs/dbraw/zinc/90/45/21/908904521.db2.gz YBAGQCQGORMPSO-ZDUSSCGKSA-N 2 2 294.399 0.580 20 0 CCADLP CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317090071 908973436 /nfs/dbraw/zinc/97/34/36/908973436.db2.gz LJEQARVIYHBZRQ-DCAQKATOSA-N 2 2 268.336 0.937 20 0 CCADLP O[C@@H](C[NH2+][C@H]1CCc2c[nH+]cn2C1)C[NH+]1CCCC1 ZINC001338422643 921463571 /nfs/dbraw/zinc/46/35/71/921463571.db2.gz JKJHHFKEZAKYGH-JSGCOSHPSA-N 3 2 264.373 0.244 20 0 CCADLP CC(C)OCC[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001317289855 909118812 /nfs/dbraw/zinc/11/88/12/909118812.db2.gz PQZCGFUWGOGBQL-GFCCVEGCSA-N 2 2 268.361 0.402 20 0 CCADLP CC(C)[NH2+]CCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001317605502 909400515 /nfs/dbraw/zinc/40/05/15/909400515.db2.gz HVRAODKOODHDGX-GFCCVEGCSA-N 2 2 264.373 0.902 20 0 CCADLP Cc1noc(C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)n1 ZINC001317625539 909422780 /nfs/dbraw/zinc/42/27/80/909422780.db2.gz DMDQIQDHKYHHDQ-CYBMUJFWSA-N 2 2 297.403 0.512 20 0 CCADLP CC(C)(C[NH2+]C[C@@H](O)C1(O)CCC1)n1cc[nH+]c1 ZINC001338567565 921514659 /nfs/dbraw/zinc/51/46/59/921514659.db2.gz OLNRYINRQICCPV-LLVKDONJSA-N 2 2 253.346 0.484 20 0 CCADLP CC[C@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+]CCCO ZINC001318593374 909828213 /nfs/dbraw/zinc/82/82/13/909828213.db2.gz NYTOEPGPSJVCSZ-LLVKDONJSA-N 2 2 268.361 0.127 20 0 CCADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)C(=O)NC1CC1 ZINC001318628985 909842530 /nfs/dbraw/zinc/84/25/30/909842530.db2.gz NBKLOYBFYXEVBG-UHFFFAOYSA-N 2 2 285.307 0.793 20 0 CCADLP C[C@@H]1CCCC[C@]1(C[NH2+]CCO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001318746261 909877764 /nfs/dbraw/zinc/87/77/64/909877764.db2.gz SBCYVXJCWCOCTB-IUODEOHRSA-N 2 2 294.399 0.599 20 0 CCADLP Cc1cc(C[NH2+][C@@H](C)CNC(=O)Cn2cc[nH+]c2)sn1 ZINC001390543908 910502059 /nfs/dbraw/zinc/50/20/59/910502059.db2.gz MWOBUMLIAMXZTO-NSHDSACASA-N 2 2 293.396 0.943 20 0 CCADLP Cc1cnc(C[NH2+][C@H](C)CNC(=O)Cn2cc[nH+]c2)s1 ZINC001390548187 910508913 /nfs/dbraw/zinc/50/89/13/910508913.db2.gz YWZMRSHALSHIPS-SNVBAGLBSA-N 2 2 293.396 0.943 20 0 CCADLP COC[C@@H](C)[N@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001390630213 910553999 /nfs/dbraw/zinc/55/39/99/910553999.db2.gz VDGQZXNYNJPOCI-OCCSQVGLSA-N 2 2 294.399 0.910 20 0 CCADLP COC[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001390630213 910554007 /nfs/dbraw/zinc/55/40/07/910554007.db2.gz VDGQZXNYNJPOCI-OCCSQVGLSA-N 2 2 294.399 0.910 20 0 CCADLP C[N@H+](CCNC(=O)CCn1cc[nH+]c1)CC[C@H]1CCOC1 ZINC001390788676 910682104 /nfs/dbraw/zinc/68/21/04/910682104.db2.gz DCDCLSZPXGWPBD-AWEZNQCLSA-N 2 2 294.399 0.748 20 0 CCADLP C[N@@H+](CCNC(=O)CCn1cc[nH+]c1)CC[C@H]1CCOC1 ZINC001390788676 910682114 /nfs/dbraw/zinc/68/21/14/910682114.db2.gz DCDCLSZPXGWPBD-AWEZNQCLSA-N 2 2 294.399 0.748 20 0 CCADLP CNC(=O)C[NH2+]CC[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001320563751 910744104 /nfs/dbraw/zinc/74/41/04/910744104.db2.gz PFOMCKIUSAMNIP-VXGBXAGGSA-N 2 2 295.387 0.065 20 0 CCADLP CC[N@H+](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)CCOC ZINC001390921614 910776310 /nfs/dbraw/zinc/77/63/10/910776310.db2.gz FAPMYETVAIPCGB-ZDUSSCGKSA-N 2 2 294.399 0.530 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)CCOC ZINC001390921614 910776326 /nfs/dbraw/zinc/77/63/26/910776326.db2.gz FAPMYETVAIPCGB-ZDUSSCGKSA-N 2 2 294.399 0.530 20 0 CCADLP CC[N@H+](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)CCOC ZINC001390921612 910778763 /nfs/dbraw/zinc/77/87/63/910778763.db2.gz FAPMYETVAIPCGB-CYBMUJFWSA-N 2 2 294.399 0.530 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)CCOC ZINC001390921612 910778780 /nfs/dbraw/zinc/77/87/80/910778780.db2.gz FAPMYETVAIPCGB-CYBMUJFWSA-N 2 2 294.399 0.530 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CCC([NH+](C)C)CC1 ZINC001320674484 910786735 /nfs/dbraw/zinc/78/67/35/910786735.db2.gz BNQRWNDRHCLYQW-UHFFFAOYSA-N 2 2 264.373 0.905 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C[N@H+](C)CCO)C1 ZINC001391356004 911072962 /nfs/dbraw/zinc/07/29/62/911072962.db2.gz SEQRXZXPDGFONG-LBPRGKRZSA-N 2 2 280.372 0.033 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C[N@@H+](C)CCO)C1 ZINC001391356004 911072981 /nfs/dbraw/zinc/07/29/81/911072981.db2.gz SEQRXZXPDGFONG-LBPRGKRZSA-N 2 2 280.372 0.033 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC1C[NH+](CC[C@H]2CCCO2)C1 ZINC001391437360 911129398 /nfs/dbraw/zinc/12/93/98/911129398.db2.gz QTCKTQWFVHTEEG-CQSZACIVSA-N 2 2 292.383 0.643 20 0 CCADLP CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)[NH2+]Cc1cnsn1 ZINC001391701120 911342706 /nfs/dbraw/zinc/34/27/06/911342706.db2.gz WONZVUNPHNWHIA-ZYHUDNBSSA-N 2 2 299.444 0.863 20 0 CCADLP C[C@@H](C[NH2+]Cc1nccn1C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001392145010 911599827 /nfs/dbraw/zinc/59/98/27/911599827.db2.gz VYSDBIATZMCVLQ-LBPRGKRZSA-N 2 2 290.371 0.253 20 0 CCADLP C[C@@H](C[NH2+]CC[C@H]1CCCO1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001322003419 911616731 /nfs/dbraw/zinc/61/67/31/911616731.db2.gz VKFRXCOJENBYDR-WCQYABFASA-N 2 2 280.372 0.616 20 0 CCADLP C[C@H](O)C[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001417905381 921694228 /nfs/dbraw/zinc/69/42/28/921694228.db2.gz LZYFJSLXZJTDMD-AAEUAGOBSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H](O)C[N@H+]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001417905381 921694245 /nfs/dbraw/zinc/69/42/45/921694245.db2.gz LZYFJSLXZJTDMD-AAEUAGOBSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H](O)C[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001417905381 921694252 /nfs/dbraw/zinc/69/42/52/921694252.db2.gz LZYFJSLXZJTDMD-AAEUAGOBSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H](O)C[N@H+]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001417905381 921694257 /nfs/dbraw/zinc/69/42/57/921694257.db2.gz LZYFJSLXZJTDMD-AAEUAGOBSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H](O)CCC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC001339457211 921728966 /nfs/dbraw/zinc/72/89/66/921728966.db2.gz ACPHKZODZRYJFM-HNNXBMFYSA-N 2 2 299.459 0.534 20 0 CCADLP C[C@H](O)CCC[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC001339457211 921728977 /nfs/dbraw/zinc/72/89/77/921728977.db2.gz ACPHKZODZRYJFM-HNNXBMFYSA-N 2 2 299.459 0.534 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001399026601 915003438 /nfs/dbraw/zinc/00/34/38/915003438.db2.gz NSTRTDWJFFEVQB-NEPJUHHUSA-N 2 2 282.388 0.482 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001399238699 915088208 /nfs/dbraw/zinc/08/82/08/915088208.db2.gz QKAREBAKHXDUJZ-KGLIPLIRSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cncn1C ZINC001399407265 915158880 /nfs/dbraw/zinc/15/88/80/915158880.db2.gz VEKUILWTYZYWON-NSHDSACASA-N 2 2 290.371 0.370 20 0 CCADLP CC[C@@H](C(=O)NCC[N@H+](C)Cc1nccnc1C)[NH+](C)C ZINC001399573559 915238367 /nfs/dbraw/zinc/23/83/67/915238367.db2.gz FZNHPBJWODNCAO-AWEZNQCLSA-N 2 2 293.415 0.673 20 0 CCADLP CC[C@@H](C(=O)NCC[N@@H+](C)Cc1nccnc1C)[NH+](C)C ZINC001399573559 915238381 /nfs/dbraw/zinc/23/83/81/915238381.db2.gz FZNHPBJWODNCAO-AWEZNQCLSA-N 2 2 293.415 0.673 20 0 CCADLP C[C@H](O)C[NH2+][C@H](CNC(=O)CCc1c[nH+]cn1C)C1CC1 ZINC001418008254 921756337 /nfs/dbraw/zinc/75/63/37/921756337.db2.gz WDCMRYPEUMSXOW-SMDDNHRTSA-N 2 2 294.399 0.218 20 0 CCADLP CC1([NH3+])CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001328646424 915330478 /nfs/dbraw/zinc/33/04/78/915330478.db2.gz RWAJTLSFDARNQC-NSHDSACASA-N 2 2 262.357 0.785 20 0 CCADLP C[N@H+](CCO)C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001418017760 921764853 /nfs/dbraw/zinc/76/48/53/921764853.db2.gz DQEDJAPROMIKJB-ZDUSSCGKSA-N 2 2 294.399 0.505 20 0 CCADLP C[N@@H+](CCO)C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001418017760 921764865 /nfs/dbraw/zinc/76/48/65/921764865.db2.gz DQEDJAPROMIKJB-ZDUSSCGKSA-N 2 2 294.399 0.505 20 0 CCADLP C[N@H+](CCO)C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001418017760 921764879 /nfs/dbraw/zinc/76/48/79/921764879.db2.gz DQEDJAPROMIKJB-ZDUSSCGKSA-N 2 2 294.399 0.505 20 0 CCADLP C[N@@H+](CCO)C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001418017760 921764884 /nfs/dbraw/zinc/76/48/84/921764884.db2.gz DQEDJAPROMIKJB-ZDUSSCGKSA-N 2 2 294.399 0.505 20 0 CCADLP C[NH+](C)CC1CN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001328722421 915381366 /nfs/dbraw/zinc/38/13/66/915381366.db2.gz NOZGXJZWINFIFP-UHFFFAOYSA-N 2 2 250.346 0.683 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001399908795 915438997 /nfs/dbraw/zinc/43/89/97/915438997.db2.gz USCAITJCFRUCAZ-LBPRGKRZSA-N 2 2 280.372 0.488 20 0 CCADLP COCC[N@H+]1CCC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001399908795 915439010 /nfs/dbraw/zinc/43/90/10/915439010.db2.gz USCAITJCFRUCAZ-LBPRGKRZSA-N 2 2 280.372 0.488 20 0 CCADLP C[C@@H]([NH2+]CCN(C)C(=O)CCC[NH+](C)C)c1csnn1 ZINC001400045485 915522864 /nfs/dbraw/zinc/52/28/64/915522864.db2.gz UAJGMXQHXAMCLU-LLVKDONJSA-N 2 2 299.444 0.989 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC(=O)NCC)C1 ZINC001400298153 915668934 /nfs/dbraw/zinc/66/89/34/915668934.db2.gz UIYWNFGQSGQGNH-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC(=O)NCC)C1 ZINC001400298153 915668946 /nfs/dbraw/zinc/66/89/46/915668946.db2.gz UIYWNFGQSGQGNH-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC)C1 ZINC001400298153 915668956 /nfs/dbraw/zinc/66/89/56/915668956.db2.gz UIYWNFGQSGQGNH-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC)C1 ZINC001400298153 915668974 /nfs/dbraw/zinc/66/89/74/915668974.db2.gz UIYWNFGQSGQGNH-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]C[C@@H]1CCCOC1 ZINC001401141809 916068547 /nfs/dbraw/zinc/06/85/47/916068547.db2.gz HGWWTSYZYABZJP-OLZOCXBDSA-N 2 2 294.399 0.721 20 0 CCADLP C[C@H](C[NH2+]CC1CC1)N(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001401254016 916145024 /nfs/dbraw/zinc/14/50/24/916145024.db2.gz CTDDATJXBFSAJO-CYBMUJFWSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]CCO ZINC001401328137 916175601 /nfs/dbraw/zinc/17/56/01/916175601.db2.gz JAMUHOFTEDUZET-GXTWGEPZSA-N 2 2 294.399 0.168 20 0 CCADLP Cc1nc(C[NH2+]C[C@@H](C)NC(=O)Cn2cc[nH+]c2)c(C)o1 ZINC001401669574 916448293 /nfs/dbraw/zinc/44/82/93/916448293.db2.gz OSQAGAQSLUIVLS-SNVBAGLBSA-N 2 2 291.355 0.782 20 0 CCADLP Cc1ncc(C[NH2+]C[C@H](C)NC(=O)CCn2cc[nH+]c2)o1 ZINC001401699834 916489339 /nfs/dbraw/zinc/48/93/39/916489339.db2.gz JYIWFWJOTPNJQD-NSHDSACASA-N 2 2 291.355 0.864 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)Cc1ccn(C)n1 ZINC001401830847 916619791 /nfs/dbraw/zinc/61/97/91/916619791.db2.gz UCTNZCTWDIBLQQ-ZDUSSCGKSA-N 2 2 295.431 0.697 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccn(C)n1 ZINC001401830847 916619793 /nfs/dbraw/zinc/61/97/93/916619793.db2.gz UCTNZCTWDIBLQQ-ZDUSSCGKSA-N 2 2 295.431 0.697 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)Cc1ccn(C)n1 ZINC001401830847 916619799 /nfs/dbraw/zinc/61/97/99/916619799.db2.gz UCTNZCTWDIBLQQ-ZDUSSCGKSA-N 2 2 295.431 0.697 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)Cc1ccn(C)n1 ZINC001401830847 916619805 /nfs/dbraw/zinc/61/98/05/916619805.db2.gz UCTNZCTWDIBLQQ-ZDUSSCGKSA-N 2 2 295.431 0.697 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@@H+]1CC[C@H]1CCOC1 ZINC001401914356 916687891 /nfs/dbraw/zinc/68/78/91/916687891.db2.gz KAMABPSLAQJCEM-KBPBESRZSA-N 2 2 292.383 0.500 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@H+]1CC[C@H]1CCOC1 ZINC001401914356 916687905 /nfs/dbraw/zinc/68/79/05/916687905.db2.gz KAMABPSLAQJCEM-KBPBESRZSA-N 2 2 292.383 0.500 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001402063390 916782492 /nfs/dbraw/zinc/78/24/92/916782492.db2.gz VLMXXMYWWGFMSV-DGCLKSJQSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001402063390 916782502 /nfs/dbraw/zinc/78/25/02/916782502.db2.gz VLMXXMYWWGFMSV-DGCLKSJQSA-N 2 2 280.372 0.304 20 0 CCADLP COCC[N@@H+]1CCC[C@](C)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001402221801 916874448 /nfs/dbraw/zinc/87/44/48/916874448.db2.gz GSPPPMZYYQLKDY-OAHLLOKOSA-N 2 2 294.399 0.817 20 0 CCADLP COCC[N@H+]1CCC[C@](C)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001402221801 916874457 /nfs/dbraw/zinc/87/44/57/916874457.db2.gz GSPPPMZYYQLKDY-OAHLLOKOSA-N 2 2 294.399 0.817 20 0 CCADLP CC(C)CC[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001402310541 916946277 /nfs/dbraw/zinc/94/62/77/916946277.db2.gz XKRAQWPSMGLSSZ-HNNXBMFYSA-N 2 2 294.399 0.482 20 0 CCADLP CC(C)CC[N@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001402310541 916946294 /nfs/dbraw/zinc/94/62/94/916946294.db2.gz XKRAQWPSMGLSSZ-HNNXBMFYSA-N 2 2 294.399 0.482 20 0 CCADLP CO[C@H](C)C[N@H+](C)CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001402666852 917164140 /nfs/dbraw/zinc/16/41/40/917164140.db2.gz MKBYPCBIZDKFHK-GFCCVEGCSA-N 2 2 282.388 0.767 20 0 CCADLP CO[C@H](C)C[N@@H+](C)CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001402666852 917164151 /nfs/dbraw/zinc/16/41/51/917164151.db2.gz MKBYPCBIZDKFHK-GFCCVEGCSA-N 2 2 282.388 0.767 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCC[N@H+](CCO)C1 ZINC001402677986 917169922 /nfs/dbraw/zinc/16/99/22/917169922.db2.gz VXIFFRQGVJSIBP-OLZOCXBDSA-N 2 2 294.399 0.409 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCC[N@@H+](CCO)C1 ZINC001402677986 917169935 /nfs/dbraw/zinc/16/99/35/917169935.db2.gz VXIFFRQGVJSIBP-OLZOCXBDSA-N 2 2 294.399 0.409 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCC[N@H+](CCO)C1 ZINC001402677986 917169945 /nfs/dbraw/zinc/16/99/45/917169945.db2.gz VXIFFRQGVJSIBP-OLZOCXBDSA-N 2 2 294.399 0.409 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCC[N@@H+](CCO)C1 ZINC001402677986 917169958 /nfs/dbraw/zinc/16/99/58/917169958.db2.gz VXIFFRQGVJSIBP-OLZOCXBDSA-N 2 2 294.399 0.409 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCC(O)(COCCO)CC1 ZINC001331252014 917218556 /nfs/dbraw/zinc/21/85/56/917218556.db2.gz FRXXWBYGZSNDGI-UHFFFAOYSA-N 2 2 283.372 0.027 20 0 CCADLP COCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001402777546 917219738 /nfs/dbraw/zinc/21/97/38/917219738.db2.gz JXLYTMHLJOACPW-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001402777546 917219756 /nfs/dbraw/zinc/21/97/56/917219756.db2.gz JXLYTMHLJOACPW-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP Cn1c[nH+]cc1CC[NH2+]Cc1cn(Cc2cccnc2)nn1 ZINC001331461540 917348470 /nfs/dbraw/zinc/34/84/70/917348470.db2.gz SWKBDWHFMOHRFK-UHFFFAOYSA-N 2 2 297.366 0.787 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[N@H+](C)C[C@H]1CCOC1 ZINC001403180815 917564830 /nfs/dbraw/zinc/56/48/30/917564830.db2.gz IMCZCNFLTRYPFB-CHWSQXEVSA-N 2 2 294.399 0.436 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[N@@H+](C)C[C@H]1CCOC1 ZINC001403180815 917564842 /nfs/dbraw/zinc/56/48/42/917564842.db2.gz IMCZCNFLTRYPFB-CHWSQXEVSA-N 2 2 294.399 0.436 20 0 CCADLP C[C@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)S(C)(=O)=O ZINC001331973859 917774201 /nfs/dbraw/zinc/77/42/01/917774201.db2.gz XWVVCMKLMNETFN-BDAKNGLRSA-N 2 2 257.359 0.290 20 0 CCADLP CCOCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC001332066463 917837864 /nfs/dbraw/zinc/83/78/64/917837864.db2.gz XGIBALVAIXMEQZ-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP O=C(NC[C@@H](CO)[NH2+]CCF)c1cc2c[nH+]ccc2[nH]1 ZINC001403691247 917927484 /nfs/dbraw/zinc/92/74/84/917927484.db2.gz YZSUSLYUXYRSHJ-JTQLQIEISA-N 2 2 280.303 0.213 20 0 CCADLP CN(C[C@H](O)C[NH2+]CC1CCCC1)C(=O)Cn1cc[nH+]c1 ZINC001403885052 918082812 /nfs/dbraw/zinc/08/28/12/918082812.db2.gz RDFHSTJVXSHZDO-CQSZACIVSA-N 2 2 294.399 0.482 20 0 CCADLP CC[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C[C@@H]1CC[C@@H](C)O1 ZINC001403929109 918131025 /nfs/dbraw/zinc/13/10/25/918131025.db2.gz ZWSIJWPTVRVSFB-OCCSQVGLSA-N 2 2 294.399 0.958 20 0 CCADLP CC[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C[C@@H]1CC[C@@H](C)O1 ZINC001403929109 918131035 /nfs/dbraw/zinc/13/10/35/918131035.db2.gz ZWSIJWPTVRVSFB-OCCSQVGLSA-N 2 2 294.399 0.958 20 0 CCADLP CN(C[C@H](O)C[NH2+]CCF)C(=O)c1cccc2[nH+]ccn21 ZINC001332537495 918265879 /nfs/dbraw/zinc/26/58/79/918265879.db2.gz VHKGNXDRRJUDIZ-LLVKDONJSA-N 2 2 294.330 0.326 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1CCCS(=O)(=O)C1 ZINC001332745088 918418134 /nfs/dbraw/zinc/41/81/34/918418134.db2.gz RYQYWNSMVNQRIJ-WOPDTQHZSA-N 2 2 260.403 0.623 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CCCS(=O)(=O)C1 ZINC001332745088 918418140 /nfs/dbraw/zinc/41/81/40/918418140.db2.gz RYQYWNSMVNQRIJ-WOPDTQHZSA-N 2 2 260.403 0.623 20 0 CCADLP C[N@@H+]1CCN(C(=O)c2coc(C[NH3+])c2)CC1(C)C ZINC001333213789 918732962 /nfs/dbraw/zinc/73/29/62/918732962.db2.gz AVVWGAJULYXVHZ-UHFFFAOYSA-N 2 2 251.330 0.905 20 0 CCADLP C[N@H+]1CCN(C(=O)c2coc(C[NH3+])c2)CC1(C)C ZINC001333213789 918732977 /nfs/dbraw/zinc/73/29/77/918732977.db2.gz AVVWGAJULYXVHZ-UHFFFAOYSA-N 2 2 251.330 0.905 20 0 CCADLP C[C@H](C[NH2+]Cc1csnn1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001405788194 918897392 /nfs/dbraw/zinc/89/73/92/918897392.db2.gz ARFHGMSUNQOZKU-PWSUYJOCSA-N 2 2 297.428 0.569 20 0 CCADLP C[C@H](C[NH2+]Cc1csnn1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001405788194 918897401 /nfs/dbraw/zinc/89/74/01/918897401.db2.gz ARFHGMSUNQOZKU-PWSUYJOCSA-N 2 2 297.428 0.569 20 0 CCADLP COCCC[N@H+](C)CC[NH2+]C1CCN(C(N)=O)CC1 ZINC001333479072 918940249 /nfs/dbraw/zinc/94/02/49/918940249.db2.gz TYFPQURBGDUPGY-UHFFFAOYSA-N 2 2 272.393 0.087 20 0 CCADLP COCCC[N@@H+](C)CC[NH2+]C1CCN(C(N)=O)CC1 ZINC001333479072 918940264 /nfs/dbraw/zinc/94/02/64/918940264.db2.gz TYFPQURBGDUPGY-UHFFFAOYSA-N 2 2 272.393 0.087 20 0 CCADLP [NH3+]CCc1cn(Cc2[nH+]ccn2CC(F)F)nn1 ZINC001333546814 918988471 /nfs/dbraw/zinc/98/84/71/918988471.db2.gz BBZYPDJUGSENFR-UHFFFAOYSA-N 2 2 256.260 0.289 20 0 CCADLP C[C@H](C[NH2+]C[C@@H]1CCOC1)NC(=O)CCc1c[nH+]cn1C ZINC001406421657 919250958 /nfs/dbraw/zinc/25/09/58/919250958.db2.gz LHILSWOATSXWNF-OLZOCXBDSA-N 2 2 294.399 0.484 20 0 CCADLP CC[C@@H](C[N@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C)OC ZINC001406683049 919427645 /nfs/dbraw/zinc/42/76/45/919427645.db2.gz BMUBDKYPTGDWBF-JSGCOSHPSA-N 2 2 296.415 0.824 20 0 CCADLP CC[C@@H](C[N@@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C)OC ZINC001406683049 919427656 /nfs/dbraw/zinc/42/76/56/919427656.db2.gz BMUBDKYPTGDWBF-JSGCOSHPSA-N 2 2 296.415 0.824 20 0 CCADLP CC[C@H](C(=O)NC[C@H]1CCN1Cc1c[nH+]cn1C)[NH+](C)C ZINC001406843876 919490413 /nfs/dbraw/zinc/49/04/13/919490413.db2.gz CQYZKCSFJCLZLI-TZMCWYRMSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CCCC1 ZINC001407177029 919652988 /nfs/dbraw/zinc/65/29/88/919652988.db2.gz UVXNWVRAZKXQAK-GXTWGEPZSA-N 2 2 294.399 0.529 20 0 CCADLP C[C@H](C[NH2+][C@H](C)c1cn(C)nn1)N1CC[NH+](C)CC1 ZINC001334813639 919785903 /nfs/dbraw/zinc/78/59/03/919785903.db2.gz OFQMOYWKUSFJCY-VXGBXAGGSA-N 2 2 266.393 0.102 20 0 CCADLP O=C(C[NH+]1CCCC1)NCC1([NH2+]Cc2ccon2)CCC1 ZINC001407822254 919910510 /nfs/dbraw/zinc/91/05/10/919910510.db2.gz BCWYEEMBTHOPBD-UHFFFAOYSA-N 2 2 292.383 0.899 20 0 CCADLP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]C[C@H]1CCCCO1 ZINC001408243222 920107414 /nfs/dbraw/zinc/10/74/14/920107414.db2.gz NOZDPHQQCVDOBK-UONOGXRCSA-N 2 2 294.399 0.937 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC001335307525 920109511 /nfs/dbraw/zinc/10/95/11/920109511.db2.gz FIVJJXDYERYJPR-SCVCMEIPSA-N 2 2 266.345 0.163 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC001335307525 920109523 /nfs/dbraw/zinc/10/95/23/920109523.db2.gz FIVJJXDYERYJPR-SCVCMEIPSA-N 2 2 266.345 0.163 20 0 CCADLP C[NH+](C)[C@@H]1C[C@H]([NH2+]C[C@H](O)CC(C)(C)O)C1(C)C ZINC001335469899 920219757 /nfs/dbraw/zinc/21/97/57/920219757.db2.gz QCVBLTOKUMXQCI-GRYCIOLGSA-N 2 2 258.406 0.827 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)NOC2CCCCC2)CC1 ZINC001335511727 920247676 /nfs/dbraw/zinc/24/76/76/920247676.db2.gz YRPFQIOPGOAIQB-UHFFFAOYSA-N 2 2 284.404 0.973 20 0 CCADLP C[C@H](O)CNc1cc(N2C[C@@H](C)[NH2+][C@@H](C)C2)nc[nH+]1 ZINC001336679368 920920764 /nfs/dbraw/zinc/92/07/64/920920764.db2.gz MPDCVYWAIVICEE-AXFHLTTASA-N 2 2 265.361 0.456 20 0 CCADLP CC[C@@H]1COCCN1CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC001336798729 921019469 /nfs/dbraw/zinc/01/94/69/921019469.db2.gz YCOCKZYFDCBVPG-UKRRQHHQSA-N 2 2 285.432 0.142 20 0 CCADLP CC[C@@H]1COCCN1CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC001336798729 921019483 /nfs/dbraw/zinc/01/94/83/921019483.db2.gz YCOCKZYFDCBVPG-UKRRQHHQSA-N 2 2 285.432 0.142 20 0 CCADLP CONC(=O)C1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC001336846881 921055894 /nfs/dbraw/zinc/05/58/94/921055894.db2.gz ROXPEJPYBSKWMT-UHFFFAOYSA-N 2 2 266.345 0.352 20 0 CCADLP C[C@H]1CN(C(=O)NCc2c[nH+]cn2C)CC[C@H]1C[NH3+] ZINC001336893031 921086577 /nfs/dbraw/zinc/08/65/77/921086577.db2.gz DJUBHEAIWMWFTF-QWRGUYRKSA-N 2 2 265.361 0.546 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)NC[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC001336906660 921096227 /nfs/dbraw/zinc/09/62/27/921096227.db2.gz GJGYBPXXBHIHTE-MNOVXSKESA-N 2 2 265.361 0.389 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNc1nccnc1C[NH3+] ZINC001339799790 921831194 /nfs/dbraw/zinc/83/11/94/921831194.db2.gz WCEVRWLNWXACHC-LLVKDONJSA-N 2 2 265.361 0.458 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNc1nccnc1C[NH3+] ZINC001339799790 921831207 /nfs/dbraw/zinc/83/12/07/921831207.db2.gz WCEVRWLNWXACHC-LLVKDONJSA-N 2 2 265.361 0.458 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[C@H]1CSCC[NH2+]1 ZINC001340525289 922109472 /nfs/dbraw/zinc/10/94/72/922109472.db2.gz GKGKOGZYBRTRBL-VIFPVBQESA-N 2 2 254.359 0.164 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[N@@H+](C)Cc1cnn(C)c1 ZINC001418478775 922163523 /nfs/dbraw/zinc/16/35/23/922163523.db2.gz OWHXCAGFBSAMTR-UHFFFAOYSA-N 2 2 290.371 0.173 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[N@H+](C)Cc1cnn(C)c1 ZINC001418478775 922163535 /nfs/dbraw/zinc/16/35/35/922163535.db2.gz OWHXCAGFBSAMTR-UHFFFAOYSA-N 2 2 290.371 0.173 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC2(C[NH2+]C2)CC1 ZINC001340705711 922179356 /nfs/dbraw/zinc/17/93/56/922179356.db2.gz SXCQBWAJBBKLKJ-LLVKDONJSA-N 2 2 262.357 0.800 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(C[NH2+]C2)CC1 ZINC001340705711 922179363 /nfs/dbraw/zinc/17/93/63/922179363.db2.gz SXCQBWAJBBKLKJ-LLVKDONJSA-N 2 2 262.357 0.800 20 0 CCADLP CC[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C[C@@H]1CC[C@H](C)O1 ZINC001418569142 922266061 /nfs/dbraw/zinc/26/60/61/922266061.db2.gz QRSHRWFRMYLFGW-STQMWFEESA-N 2 2 294.399 0.958 20 0 CCADLP CC[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C[C@@H]1CC[C@H](C)O1 ZINC001418569142 922266070 /nfs/dbraw/zinc/26/60/70/922266070.db2.gz QRSHRWFRMYLFGW-STQMWFEESA-N 2 2 294.399 0.958 20 0 CCADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)C[C@H]1CC[C@@H](C)O1 ZINC001418584666 922276204 /nfs/dbraw/zinc/27/62/04/922276204.db2.gz RGGPJEIOFUKVMA-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP Nc1cc(F)ccc1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001341056645 922329911 /nfs/dbraw/zinc/32/99/11/922329911.db2.gz MSVSERIUXRXFMT-UHFFFAOYSA-N 2 2 280.347 0.561 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC001341127720 922353152 /nfs/dbraw/zinc/35/31/52/922353152.db2.gz BRSZWZCQRWUHTD-PKZYVASSSA-N 2 2 262.357 0.766 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)CCSCCC[NH3+] ZINC001341570277 922557802 /nfs/dbraw/zinc/55/78/02/922557802.db2.gz FVZUYQXNUZXPFZ-LLVKDONJSA-N 2 2 270.402 0.860 20 0 CCADLP CCOCC1(C(=O)NCC[NH+]2CCC([NH3+])CC2)CC1 ZINC001341689558 922631729 /nfs/dbraw/zinc/63/17/29/922631729.db2.gz BHNVJMHUCJXXSJ-UHFFFAOYSA-N 2 2 269.389 0.342 20 0 CCADLP CC1(C)CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1[NH3+] ZINC001341710700 922636844 /nfs/dbraw/zinc/63/68/44/922636844.db2.gz GDOJJDCNASPZHJ-GHMZBOCLSA-N 2 2 262.357 0.641 20 0 CCADLP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cnsn1 ZINC001419290002 922754070 /nfs/dbraw/zinc/75/40/70/922754070.db2.gz VDYPJNCWEWMSIM-WDEREUQCSA-N 2 2 297.428 0.474 20 0 CCADLP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnsn1 ZINC001419290002 922754079 /nfs/dbraw/zinc/75/40/79/922754079.db2.gz VDYPJNCWEWMSIM-WDEREUQCSA-N 2 2 297.428 0.474 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C[C@H]([NH3+])C1CC1 ZINC001342196704 922857147 /nfs/dbraw/zinc/85/71/47/922857147.db2.gz VPOLCVSVYISLAG-AAEUAGOBSA-N 2 2 269.389 0.293 20 0 CCADLP CCN1C[C@@H](C[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)OC1=O ZINC001342273579 922886792 /nfs/dbraw/zinc/88/67/92/922886792.db2.gz LKMSLMGJMWRWSN-OUCADQQQSA-N 2 2 267.373 0.711 20 0 CCADLP CCN1C[C@@H](C[N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)OC1=O ZINC001342273579 922886808 /nfs/dbraw/zinc/88/68/08/922886808.db2.gz LKMSLMGJMWRWSN-OUCADQQQSA-N 2 2 267.373 0.711 20 0 CCADLP CCN1C[C@@H](C[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)OC1=O ZINC001342273579 922886815 /nfs/dbraw/zinc/88/68/15/922886815.db2.gz LKMSLMGJMWRWSN-OUCADQQQSA-N 2 2 267.373 0.711 20 0 CCADLP CCN1C[C@@H](C[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)OC1=O ZINC001342273579 922886830 /nfs/dbraw/zinc/88/68/30/922886830.db2.gz LKMSLMGJMWRWSN-OUCADQQQSA-N 2 2 267.373 0.711 20 0 CCADLP Cc1cc(C[NH2+]C[C@@H](C)CNC(=O)Cc2[nH]cc[nH+]2)on1 ZINC001419522889 922894657 /nfs/dbraw/zinc/89/46/57/922894657.db2.gz OLZLYGHVCAMMGN-SNVBAGLBSA-N 2 2 291.355 0.791 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC001342304425 922902142 /nfs/dbraw/zinc/90/21/42/922902142.db2.gz WOWKDDDSIXDKTB-RYUDHWBXSA-N 2 2 257.378 0.164 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](CCO)C1 ZINC001419627102 922955552 /nfs/dbraw/zinc/95/55/52/922955552.db2.gz OHPTUELPUICTBY-WCQYABFASA-N 2 2 294.399 0.470 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CCO)C1 ZINC001419627102 922955560 /nfs/dbraw/zinc/95/55/60/922955560.db2.gz OHPTUELPUICTBY-WCQYABFASA-N 2 2 294.399 0.470 20 0 CCADLP CCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CC[NH2+]C1 ZINC001342474776 922974772 /nfs/dbraw/zinc/97/47/72/922974772.db2.gz JXTFTZPOZVGOOA-WCQYABFASA-N 2 2 262.357 0.656 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cnon1 ZINC001419772097 923085037 /nfs/dbraw/zinc/08/50/37/923085037.db2.gz SNOYHRDBVSZPSX-AAEUAGOBSA-N 2 2 295.387 0.538 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cnon1 ZINC001419772097 923085053 /nfs/dbraw/zinc/08/50/53/923085053.db2.gz SNOYHRDBVSZPSX-AAEUAGOBSA-N 2 2 295.387 0.538 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)[C@@H](C)C(N)=O ZINC001419968118 923198504 /nfs/dbraw/zinc/19/85/04/923198504.db2.gz RVLZESJISNTNJO-QWHCGFSZSA-N 2 2 298.431 0.123 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)[C@@H](C)C(N)=O ZINC001419968118 923198512 /nfs/dbraw/zinc/19/85/12/923198512.db2.gz RVLZESJISNTNJO-QWHCGFSZSA-N 2 2 298.431 0.123 20 0 CCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@H+](C)[C@@H](C)C(N)=O ZINC001419968118 923198525 /nfs/dbraw/zinc/19/85/25/923198525.db2.gz RVLZESJISNTNJO-QWHCGFSZSA-N 2 2 298.431 0.123 20 0 CCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@@H+](C)[C@@H](C)C(N)=O ZINC001419968118 923198530 /nfs/dbraw/zinc/19/85/30/923198530.db2.gz RVLZESJISNTNJO-QWHCGFSZSA-N 2 2 298.431 0.123 20 0 CCADLP COC[C@H](C)[N@@H+](C)CCN(C)C(=O)CCn1cc[nH+]c1 ZINC001419983393 923215634 /nfs/dbraw/zinc/21/56/34/923215634.db2.gz ARLYNDCVGPYORJ-ZDUSSCGKSA-N 2 2 282.388 0.698 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001419997150 923223660 /nfs/dbraw/zinc/22/36/60/923223660.db2.gz CHUNBCOSLIZEMK-CHWSQXEVSA-N 2 2 280.372 0.356 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC001343737786 923452906 /nfs/dbraw/zinc/45/29/06/923452906.db2.gz ZJPCSTXKIXJMMG-VXGBXAGGSA-N 2 2 257.378 0.164 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C1([NH3+])CCC1 ZINC001343736794 923454164 /nfs/dbraw/zinc/45/41/64/923454164.db2.gz NKXLRTFKPGPVLF-LLVKDONJSA-N 2 2 255.362 0.047 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+]Cc1csnn1 ZINC001420319846 923545187 /nfs/dbraw/zinc/54/51/87/923545187.db2.gz LGCDRHNHPTWTAD-SECBINFHSA-N 2 2 294.384 0.338 20 0 CCADLP C[C@@H](C[NH2+]C[C@@H]1CCOC1)NC(=O)CCn1cc[nH+]c1 ZINC001420445262 923673247 /nfs/dbraw/zinc/67/32/47/923673247.db2.gz DKRKWNMXYFRUTH-STQMWFEESA-N 2 2 280.372 0.404 20 0 CCADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)CC[C@@H]1CCOC1 ZINC001420453475 923676291 /nfs/dbraw/zinc/67/62/91/923676291.db2.gz NOZACTIDMLIFNK-CQSZACIVSA-N 2 2 294.399 0.748 20 0 CCADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)CC[C@@H]1CCOC1 ZINC001420453475 923676302 /nfs/dbraw/zinc/67/63/02/923676302.db2.gz NOZACTIDMLIFNK-CQSZACIVSA-N 2 2 294.399 0.748 20 0 CCADLP C[C@@H](C[NH2+]Cc1nccs1)NC(=O)Cc1c[nH+]cn1C ZINC001420510176 923726517 /nfs/dbraw/zinc/72/65/17/923726517.db2.gz XIUGFTPJMFFDSG-JTQLQIEISA-N 2 2 293.396 0.714 20 0 CCADLP C[C@H](C[N@H+](C)C[C@@H]1CCOC1)NC(=O)CCn1cc[nH+]c1 ZINC001420614240 923825302 /nfs/dbraw/zinc/82/53/02/923825302.db2.gz HFWBZVDKPOCMAV-KGLIPLIRSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@H](C[N@@H+](C)C[C@@H]1CCOC1)NC(=O)CCn1cc[nH+]c1 ZINC001420614240 923825313 /nfs/dbraw/zinc/82/53/13/923825313.db2.gz HFWBZVDKPOCMAV-KGLIPLIRSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@H](C[N@H+](C)Cc1cnnn1C)NC(=O)CCC[NH+](C)C ZINC001420611952 923825689 /nfs/dbraw/zinc/82/56/89/923825689.db2.gz MFVROWXOVJERKP-GFCCVEGCSA-N 2 2 296.419 0.093 20 0 CCADLP C[C@H](C[N@@H+](C)Cc1cnnn1C)NC(=O)CCC[NH+](C)C ZINC001420611952 923825696 /nfs/dbraw/zinc/82/56/96/923825696.db2.gz MFVROWXOVJERKP-GFCCVEGCSA-N 2 2 296.419 0.093 20 0 CCADLP C[C@@H]1CN(C(=O)NCCCn2cc[nH+]c2)C[C@H]1[NH3+] ZINC001346135003 924084319 /nfs/dbraw/zinc/08/43/19/924084319.db2.gz BHEDVAJHSRDFGF-GHMZBOCLSA-N 2 2 251.334 0.262 20 0 CCADLP CC(C)[C@H](C(=O)N(C)C1C[NH+](C[C@@H](C)O)C1)[NH+]1CCCC1 ZINC001421092755 924146398 /nfs/dbraw/zinc/14/63/98/924146398.db2.gz NKCXIKWEIDOJDR-UKRRQHHQSA-N 2 2 297.443 0.630 20 0 CCADLP CC(C)C[C@@H](C(=O)N[C@@H]1CC[N@H+](CCO)C1)n1cc[nH+]c1 ZINC001421270032 924248253 /nfs/dbraw/zinc/24/82/53/924248253.db2.gz BCNPRJVBCZJSEC-KGLIPLIRSA-N 2 2 294.399 0.653 20 0 CCADLP CC(C)C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCO)C1)n1cc[nH+]c1 ZINC001421270032 924248260 /nfs/dbraw/zinc/24/82/60/924248260.db2.gz BCNPRJVBCZJSEC-KGLIPLIRSA-N 2 2 294.399 0.653 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CCC2(C[NH+](C)C2)C1 ZINC001346914192 924330854 /nfs/dbraw/zinc/33/08/54/924330854.db2.gz UIZYDAJVQQQJLM-UHFFFAOYSA-N 2 2 262.357 0.517 20 0 CCADLP C[C@@H](C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)n1cc[nH+]c1 ZINC001347722883 924519686 /nfs/dbraw/zinc/51/96/86/924519686.db2.gz CKAAGFVZDRJNPJ-JSGCOSHPSA-N 2 2 262.357 0.998 20 0 CCADLP C[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)n1cc[nH+]c1 ZINC001347722883 924519689 /nfs/dbraw/zinc/51/96/89/924519689.db2.gz CKAAGFVZDRJNPJ-JSGCOSHPSA-N 2 2 262.357 0.998 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC001348059253 924587761 /nfs/dbraw/zinc/58/77/61/924587761.db2.gz FLRVFRKMXINJTM-LLVKDONJSA-N 2 2 259.313 0.519 20 0 CCADLP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)/C=C\C[NH+]3CCOCC3)[C@H]2C1 ZINC001348223505 924622128 /nfs/dbraw/zinc/62/21/28/924622128.db2.gz DOLYZWJJICTHSP-RKWMYAQDSA-N 2 2 293.411 0.331 20 0 CCADLP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)/C=C\C[NH+]3CCOCC3)[C@H]2C1 ZINC001348223505 924622129 /nfs/dbraw/zinc/62/21/29/924622129.db2.gz DOLYZWJJICTHSP-RKWMYAQDSA-N 2 2 293.411 0.331 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1NC(=O)NCCCNc1cccc[nH+]1 ZINC001353274010 925780615 /nfs/dbraw/zinc/78/06/15/925780615.db2.gz RKXUODOGIBXJDS-VXGBXAGGSA-N 2 2 277.372 0.791 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001353666929 925898740 /nfs/dbraw/zinc/89/87/40/925898740.db2.gz RDNQNJQLSKNAQP-PWSUYJOCSA-N 2 2 266.345 0.083 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001353666929 925898751 /nfs/dbraw/zinc/89/87/51/925898751.db2.gz RDNQNJQLSKNAQP-PWSUYJOCSA-N 2 2 266.345 0.083 20 0 CCADLP CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1cnon1)[NH+](C)C ZINC001480538948 925901300 /nfs/dbraw/zinc/90/13/00/925901300.db2.gz VEGRDPCTWWGILK-ONGXEEELSA-N 2 2 269.349 0.004 20 0 CCADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)CNCC[NH3+])CC1 ZINC001353773186 925930417 /nfs/dbraw/zinc/93/04/17/925930417.db2.gz HKMJSLPXRMAXJZ-LBPRGKRZSA-N 2 2 296.440 0.502 20 0 CCADLP C[C@H]1CN(c2cc[nH+]c(N)n2)CC[N@H+]1CC(C)(C)O ZINC001354172552 926030693 /nfs/dbraw/zinc/03/06/93/926030693.db2.gz YOPMFSUYZXWCND-JTQLQIEISA-N 2 2 265.361 0.340 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC001354854281 926175170 /nfs/dbraw/zinc/17/51/70/926175170.db2.gz OGMOQMWDLGLVMB-IJLUTSLNSA-N 2 2 257.378 0.197 20 0 CCADLP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCCCCNc1cccc[nH+]1 ZINC001357391948 926523824 /nfs/dbraw/zinc/52/38/24/926523824.db2.gz PDWWDRKTDVVKLI-OLZOCXBDSA-N 2 2 294.399 0.606 20 0 CCADLP C[C@@H]([NH2+]CCO)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001421521463 926787365 /nfs/dbraw/zinc/78/73/65/926787365.db2.gz HVXLIHQPHPIFEF-OLZOCXBDSA-N 2 2 280.372 0.092 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H]1COCC[N@@H+]1CC1CCC1)[NH+](C)C ZINC001421695843 926864762 /nfs/dbraw/zinc/86/47/62/926864762.db2.gz AJOWYZWZAHVFQC-CABCVRRESA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H]1COCC[N@H+]1CC1CCC1)[NH+](C)C ZINC001421695843 926864775 /nfs/dbraw/zinc/86/47/75/926864775.db2.gz AJOWYZWZAHVFQC-CABCVRRESA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@H](F)C[NH2+]C[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001421769357 926900927 /nfs/dbraw/zinc/90/09/27/926900927.db2.gz OBQMBHNLIQIEGD-RYUDHWBXSA-N 2 2 270.352 0.973 20 0 CCADLP CCC[N@@H+]1CCO[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001421793210 926911303 /nfs/dbraw/zinc/91/13/03/926911303.db2.gz MQWFUJGUDJLELD-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP CCC[N@H+]1CCO[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001421793210 926911306 /nfs/dbraw/zinc/91/13/06/926911306.db2.gz MQWFUJGUDJLELD-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP Cc1nnc(C[NH2+]C[C@H](C)N(C)C(=O)C[NH+]2CCCC2)o1 ZINC001421983732 927027946 /nfs/dbraw/zinc/02/79/46/927027946.db2.gz CDNZRYZLOGHCHQ-NSHDSACASA-N 2 2 295.387 0.410 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N(C)C[C@@H](C)[NH2+]CCO)c[nH+]1 ZINC001423068522 927658417 /nfs/dbraw/zinc/65/84/17/927658417.db2.gz ASDCPIHTGPNFDF-LLVKDONJSA-N 2 2 282.388 0.355 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001362160634 927679819 /nfs/dbraw/zinc/67/98/19/927679819.db2.gz UXTNSSNWLGNNFG-UONOGXRCSA-N 2 2 281.400 0.261 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001362160634 927679822 /nfs/dbraw/zinc/67/98/22/927679822.db2.gz UXTNSSNWLGNNFG-UONOGXRCSA-N 2 2 281.400 0.261 20 0 CCADLP CS[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1[NH+](C)C ZINC001362260887 927792590 /nfs/dbraw/zinc/79/25/90/927792590.db2.gz RPRCRTFOVZTTGY-RYUDHWBXSA-N 2 2 282.413 0.765 20 0 CCADLP CN(C(=O)C1(C[NH+](C)C)CCCCC1)C1C[NH+](CCO)C1 ZINC001423396086 927838807 /nfs/dbraw/zinc/83/88/07/927838807.db2.gz FAHSVWIGUYQIEY-UHFFFAOYSA-N 2 2 297.443 0.633 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001423482986 927885210 /nfs/dbraw/zinc/88/52/10/927885210.db2.gz LCTLHBQAWVWQKP-AAEUAGOBSA-N 2 2 280.372 0.568 20 0 CCADLP COC[C@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001423639359 927946428 /nfs/dbraw/zinc/94/64/28/927946428.db2.gz AZLGXCAVHWMRBH-DZGCQCFKSA-N 2 2 294.399 0.746 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001424120035 928103638 /nfs/dbraw/zinc/10/36/38/928103638.db2.gz BCDUEJYBWVGPRG-CQSZACIVSA-N 2 2 294.399 0.809 20 0 CCADLP CC[N@H+]1CCOC[C@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001424120035 928103647 /nfs/dbraw/zinc/10/36/47/928103647.db2.gz BCDUEJYBWVGPRG-CQSZACIVSA-N 2 2 294.399 0.809 20 0 CCADLP CCCC[NH+]1CCC(CO)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001424647974 928233773 /nfs/dbraw/zinc/23/37/73/928233773.db2.gz GBTOHDYSNMBHES-UHFFFAOYSA-N 2 2 294.399 0.626 20 0 CCADLP CC(C)[C@H](C(=O)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1)[NH+](C)C ZINC001362602115 928235220 /nfs/dbraw/zinc/23/52/20/928235220.db2.gz GUDBPMFFPKINGP-RWMBFGLXSA-N 2 2 271.380 0.827 20 0 CCADLP CC(C)[C@H](C(=O)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1)[NH+](C)C ZINC001362602115 928235235 /nfs/dbraw/zinc/23/52/35/928235235.db2.gz GUDBPMFFPKINGP-RWMBFGLXSA-N 2 2 271.380 0.827 20 0 CCADLP C[N@H+](CCCO)C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001424702506 928259679 /nfs/dbraw/zinc/25/96/79/928259679.db2.gz JWLGGAHIHFJEGP-CYBMUJFWSA-N 2 2 280.372 0.257 20 0 CCADLP C[N@@H+](CCCO)C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001424702506 928259685 /nfs/dbraw/zinc/25/96/85/928259685.db2.gz JWLGGAHIHFJEGP-CYBMUJFWSA-N 2 2 280.372 0.257 20 0 CCADLP C[C@@H]([NH2+]Cc1cnn(C)c1)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001424867730 928323708 /nfs/dbraw/zinc/32/37/08/928323708.db2.gz VRAVHLWTNNVFRK-NEPJUHHUSA-N 2 2 290.371 0.300 20 0 CCADLP CN(C(=O)CCn1cc[nH+]c1)C1CCC([NH2+]CCO)CC1 ZINC001424861525 928325115 /nfs/dbraw/zinc/32/51/15/928325115.db2.gz XPENSEBVKXWMKR-UHFFFAOYSA-N 2 2 294.399 0.625 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1csnn1 ZINC001424859829 928325252 /nfs/dbraw/zinc/32/52/52/928325252.db2.gz RCHVATYJOYQGKB-WDEREUQCSA-N 2 2 299.444 0.861 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1csnn1 ZINC001424859829 928325266 /nfs/dbraw/zinc/32/52/66/928325266.db2.gz RCHVATYJOYQGKB-WDEREUQCSA-N 2 2 299.444 0.861 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH+](C)CCF)C1 ZINC001425073631 928424167 /nfs/dbraw/zinc/42/41/67/928424167.db2.gz SFWPCNNUDMTHIQ-NWDGAFQWSA-N 2 2 275.368 0.113 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH+](C)CCF)C1 ZINC001425073631 928424172 /nfs/dbraw/zinc/42/41/72/928424172.db2.gz SFWPCNNUDMTHIQ-NWDGAFQWSA-N 2 2 275.368 0.113 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H](C)[N@H+](C)CCF)C1 ZINC001425073631 928424181 /nfs/dbraw/zinc/42/41/81/928424181.db2.gz SFWPCNNUDMTHIQ-NWDGAFQWSA-N 2 2 275.368 0.113 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CCF)C1 ZINC001425073631 928424187 /nfs/dbraw/zinc/42/41/87/928424187.db2.gz SFWPCNNUDMTHIQ-NWDGAFQWSA-N 2 2 275.368 0.113 20 0 CCADLP CC[C@@H](C[NH+]1CC([C@H](C)NC(=O)Cn2cc[nH+]c2)C1)OC ZINC001425265634 928485598 /nfs/dbraw/zinc/48/55/98/928485598.db2.gz ORNCOOBVZQLFIB-JSGCOSHPSA-N 2 2 294.399 0.745 20 0 CCADLP C[N@H+](CC(=O)N1CCn2c[nH+]cc2C1)[C@@H]1CCC[C@H]1O ZINC001362799727 928503440 /nfs/dbraw/zinc/50/34/40/928503440.db2.gz PWQAKLPZRFJTSA-CHWSQXEVSA-N 2 2 278.356 0.071 20 0 CCADLP C[N@@H+](CC(=O)N1CCn2c[nH+]cc2C1)[C@@H]1CCC[C@H]1O ZINC001362799727 928503445 /nfs/dbraw/zinc/50/34/45/928503445.db2.gz PWQAKLPZRFJTSA-CHWSQXEVSA-N 2 2 278.356 0.071 20 0 CCADLP COC[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001425685466 928623873 /nfs/dbraw/zinc/62/38/73/928623873.db2.gz UMBBMLJHBSZTLG-RYUDHWBXSA-N 2 2 282.388 0.434 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC001363325283 929117230 /nfs/dbraw/zinc/11/72/30/929117230.db2.gz NQWBFVVLZFAITD-UHFFFAOYSA-N 2 2 297.443 0.552 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001363518575 929323191 /nfs/dbraw/zinc/32/31/91/929323191.db2.gz HKPYSZLKWZCYSN-UONOGXRCSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001363518575 929323204 /nfs/dbraw/zinc/32/32/04/929323204.db2.gz HKPYSZLKWZCYSN-UONOGXRCSA-N 2 2 294.399 0.550 20 0 CCADLP O=C(c1ccn(-c2cc[nH+]cc2)n1)N1CC([NH2+]C2COC2)C1 ZINC001363651346 929457464 /nfs/dbraw/zinc/45/74/64/929457464.db2.gz SHFMZCGHISHBNV-UHFFFAOYSA-N 2 2 299.334 0.080 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC(C)(C)[C@H]2COC[C@H]21 ZINC001363811272 929601190 /nfs/dbraw/zinc/60/11/90/929601190.db2.gz NUUZEWOTQWGOPI-HZSPNIEDSA-N 2 2 286.416 0.282 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC(C)(C)[C@H]2COC[C@H]21 ZINC001363811272 929601195 /nfs/dbraw/zinc/60/11/95/929601195.db2.gz NUUZEWOTQWGOPI-HZSPNIEDSA-N 2 2 286.416 0.282 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC(C)(C)[C@H]2COC[C@H]21 ZINC001363811272 929601204 /nfs/dbraw/zinc/60/12/04/929601204.db2.gz NUUZEWOTQWGOPI-HZSPNIEDSA-N 2 2 286.416 0.282 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC(C)(C)[C@H]2COC[C@H]21 ZINC001363811272 929601210 /nfs/dbraw/zinc/60/12/10/929601210.db2.gz NUUZEWOTQWGOPI-HZSPNIEDSA-N 2 2 286.416 0.282 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1C[NH+](C[C@H]2CCCOC2)C1 ZINC001443666369 929668442 /nfs/dbraw/zinc/66/84/42/929668442.db2.gz MECNDSWFBOEJAK-CYBMUJFWSA-N 2 2 292.383 0.358 20 0 CCADLP CC[N@@H+]1CC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC001443774558 929697074 /nfs/dbraw/zinc/69/70/74/929697074.db2.gz XUFYYCXESPFMSY-STQMWFEESA-N 2 2 251.374 0.681 20 0 CCADLP CC[N@H+]1CC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC001443774558 929697079 /nfs/dbraw/zinc/69/70/79/929697079.db2.gz XUFYYCXESPFMSY-STQMWFEESA-N 2 2 251.374 0.681 20 0 CCADLP CC[NH+]1CC[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC001443774558 929697083 /nfs/dbraw/zinc/69/70/83/929697083.db2.gz XUFYYCXESPFMSY-STQMWFEESA-N 2 2 251.374 0.681 20 0 CCADLP CC[NH+]1CC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001443774558 929697088 /nfs/dbraw/zinc/69/70/88/929697088.db2.gz XUFYYCXESPFMSY-STQMWFEESA-N 2 2 251.374 0.681 20 0 CCADLP CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001444397135 929861990 /nfs/dbraw/zinc/86/19/90/929861990.db2.gz VSBSWMDCDPGWAN-UKRRQHHQSA-N 2 2 297.443 0.992 20 0 CCADLP CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001444397135 929861998 /nfs/dbraw/zinc/86/19/98/929861998.db2.gz VSBSWMDCDPGWAN-UKRRQHHQSA-N 2 2 297.443 0.992 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[N@H+](CCCF)CCO1 ZINC001444481632 929881225 /nfs/dbraw/zinc/88/12/25/929881225.db2.gz SWASCLMBAKXPRB-ZDUSSCGKSA-N 2 2 298.362 0.368 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[N@@H+](CCCF)CCO1 ZINC001444481632 929881228 /nfs/dbraw/zinc/88/12/28/929881228.db2.gz SWASCLMBAKXPRB-ZDUSSCGKSA-N 2 2 298.362 0.368 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H](C)N(C)C(=O)CCCn1cc[nH+]c1 ZINC001444732547 929942070 /nfs/dbraw/zinc/94/20/70/929942070.db2.gz UZWRCVFGWZIFPR-STQMWFEESA-N 2 2 282.388 0.481 20 0 CCADLP CC(C)[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]CCO ZINC001444913228 929969690 /nfs/dbraw/zinc/96/96/90/929969690.db2.gz OJZCSBSQUSNZAA-STQMWFEESA-N 2 2 282.388 0.557 20 0 CCADLP CC[C@H](C[N@H+](C)CCN(C)C(=O)Cc1[nH]cc[nH+]1)OC ZINC001445043426 930013999 /nfs/dbraw/zinc/01/39/99/930013999.db2.gz BSMBMNLCYVAPKT-GFCCVEGCSA-N 2 2 282.388 0.767 20 0 CCADLP CC[C@H](C[N@@H+](C)CCN(C)C(=O)Cc1[nH]cc[nH+]1)OC ZINC001445043426 930014011 /nfs/dbraw/zinc/01/40/11/930014011.db2.gz BSMBMNLCYVAPKT-GFCCVEGCSA-N 2 2 282.388 0.767 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[N@H+](C)C[C@@H]1CCOC1 ZINC001445072349 930024504 /nfs/dbraw/zinc/02/45/04/930024504.db2.gz DHJLLTGWGPYOOL-ZDUSSCGKSA-N 2 2 294.399 0.687 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[N@@H+](C)C[C@@H]1CCOC1 ZINC001445072349 930024515 /nfs/dbraw/zinc/02/45/15/930024515.db2.gz DHJLLTGWGPYOOL-ZDUSSCGKSA-N 2 2 294.399 0.687 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[C@H]1CC[N@@H+](CCO)C1 ZINC001373204632 930104301 /nfs/dbraw/zinc/10/43/01/930104301.db2.gz GTTZFNVMKJVLFX-ZDUSSCGKSA-N 2 2 280.372 0.094 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[C@H]1CC[N@H+](CCO)C1 ZINC001373204632 930104312 /nfs/dbraw/zinc/10/43/12/930104312.db2.gz GTTZFNVMKJVLFX-ZDUSSCGKSA-N 2 2 280.372 0.094 20 0 CCADLP CCn1ccc(C[NH2+]C[C@@H](C)NC(=O)Cn2cc[nH+]c2)n1 ZINC001445502030 930147588 /nfs/dbraw/zinc/14/75/88/930147588.db2.gz RHKHXYUIPXFUIE-GFCCVEGCSA-N 2 2 290.371 0.394 20 0 CCADLP CC(C)[C@@H](C(=O)NC1C[NH+](C[C@H](C)O)C1)[NH+]1CCCC1 ZINC001373490311 930214295 /nfs/dbraw/zinc/21/42/95/930214295.db2.gz QZNXNRQDVHPBOX-JSGCOSHPSA-N 2 2 283.416 0.288 20 0 CCADLP CC(C)C[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCO)n1cc[nH+]c1 ZINC001445742463 930234112 /nfs/dbraw/zinc/23/41/12/930234112.db2.gz CNFUTWIOVNLHBH-UONOGXRCSA-N 2 2 296.415 0.899 20 0 CCADLP CC(C)C[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCO)n1cc[nH+]c1 ZINC001445742463 930234120 /nfs/dbraw/zinc/23/41/20/930234120.db2.gz CNFUTWIOVNLHBH-UONOGXRCSA-N 2 2 296.415 0.899 20 0 CCADLP C[C@@H](C[N@H+](C)C[C@@H]1CCOC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001445811863 930257326 /nfs/dbraw/zinc/25/73/26/930257326.db2.gz IACWUHYAMFNWJY-RYUDHWBXSA-N 2 2 280.372 0.425 20 0 CCADLP C[C@@H](C[N@@H+](C)C[C@@H]1CCOC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001445811863 930257338 /nfs/dbraw/zinc/25/73/38/930257338.db2.gz IACWUHYAMFNWJY-RYUDHWBXSA-N 2 2 280.372 0.425 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]C[C@H]1CCOC1 ZINC001374070856 930415727 /nfs/dbraw/zinc/41/57/27/930415727.db2.gz AYMYUDXDLSIBOC-NWDGAFQWSA-N 2 2 280.372 0.331 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@]1(C)CC[N@@H+](C[C@H](C)O)C1 ZINC001446569678 930441354 /nfs/dbraw/zinc/44/13/54/930441354.db2.gz YCRCOCXTVCVHBU-IINYFYTJSA-N 2 2 280.372 0.222 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@]1(C)CC[N@H+](C[C@H](C)O)C1 ZINC001446569678 930441359 /nfs/dbraw/zinc/44/13/59/930441359.db2.gz YCRCOCXTVCVHBU-IINYFYTJSA-N 2 2 280.372 0.222 20 0 CCADLP CN(CC[N@H+](C)CCF)C(=O)CC[NH+]1CCOCC1 ZINC001374542631 930549810 /nfs/dbraw/zinc/54/98/10/930549810.db2.gz CJSSFJASSHPTAW-UHFFFAOYSA-N 2 2 275.368 0.068 20 0 CCADLP CN(CC[N@@H+](C)CCF)C(=O)CC[NH+]1CCOCC1 ZINC001374542631 930549817 /nfs/dbraw/zinc/54/98/17/930549817.db2.gz CJSSFJASSHPTAW-UHFFFAOYSA-N 2 2 275.368 0.068 20 0 CCADLP CC(C)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001374617899 930596793 /nfs/dbraw/zinc/59/67/93/930596793.db2.gz NBHCMCUTIQCWIG-QWHCGFSZSA-N 2 2 294.399 0.168 20 0 CCADLP C[C@@H](O)C[N@H+](C)CCCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001447354469 930614217 /nfs/dbraw/zinc/61/42/17/930614217.db2.gz MQKYVYCBPZRCFD-CHWSQXEVSA-N 2 2 296.415 0.749 20 0 CCADLP C[C@@H](O)C[N@@H+](C)CCCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001447354469 930614223 /nfs/dbraw/zinc/61/42/23/930614223.db2.gz MQKYVYCBPZRCFD-CHWSQXEVSA-N 2 2 296.415 0.749 20 0 CCADLP C[C@@H](O)C[N@H+](C)CCCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001447354469 930614227 /nfs/dbraw/zinc/61/42/27/930614227.db2.gz MQKYVYCBPZRCFD-CHWSQXEVSA-N 2 2 296.415 0.749 20 0 CCADLP C[C@@H](O)C[N@@H+](C)CCCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001447354469 930614229 /nfs/dbraw/zinc/61/42/29/930614229.db2.gz MQKYVYCBPZRCFD-CHWSQXEVSA-N 2 2 296.415 0.749 20 0 CCADLP C[NH+](C)CCC(=O)N1CCOC2(C[NH+](CCCF)C2)C1 ZINC001447388429 930623814 /nfs/dbraw/zinc/62/38/14/930623814.db2.gz BZZBSSCJJZBCCD-UHFFFAOYSA-N 2 2 287.379 0.211 20 0 CCADLP C[C@@H](O)C[N@H+](C)C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001447762110 930699775 /nfs/dbraw/zinc/69/97/75/930699775.db2.gz TWVWCSUUNDQVOO-TZMCWYRMSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001447762110 930699779 /nfs/dbraw/zinc/69/97/79/930699779.db2.gz TWVWCSUUNDQVOO-TZMCWYRMSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@@H](O)C[N@H+](C)C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001447762110 930699784 /nfs/dbraw/zinc/69/97/84/930699784.db2.gz TWVWCSUUNDQVOO-TZMCWYRMSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001447762110 930699788 /nfs/dbraw/zinc/69/97/88/930699788.db2.gz TWVWCSUUNDQVOO-TZMCWYRMSA-N 2 2 294.399 0.646 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH2+]Cc1ncccn1 ZINC001374919478 930724680 /nfs/dbraw/zinc/72/46/80/930724680.db2.gz QMODQVIUNXWUES-NSHDSACASA-N 2 2 288.355 0.276 20 0 CCADLP CC(C)[C@H](C(=O)N(C)C1C[NH+](C[C@H](C)O)C1)[NH+](C)C ZINC001375704604 930955567 /nfs/dbraw/zinc/95/55/67/930955567.db2.gz SSLYGASPVVJKIV-WCQYABFASA-N 2 2 271.405 0.096 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@H]1CC12CC[NH+](CCO)CC2 ZINC001376174932 931080163 /nfs/dbraw/zinc/08/01/63/931080163.db2.gz SVAHJXZLYITAQW-ZDUSSCGKSA-N 2 2 292.383 0.236 20 0 CCADLP CC(C)[NH2+]C[C@@H](O)CN(C)C(=O)CCCn1cc[nH+]c1 ZINC001449179044 931092531 /nfs/dbraw/zinc/09/25/31/931092531.db2.gz WUHQMTYZBFBFLX-CYBMUJFWSA-N 2 2 282.388 0.481 20 0 CCADLP CC[C@H](C[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1)OC ZINC001376407176 931143083 /nfs/dbraw/zinc/14/30/83/931143083.db2.gz NSIAYOPLYOEEGN-IJLUTSLNSA-N 2 2 280.372 0.614 20 0 CCADLP CC[C@H](C[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1)OC ZINC001376417335 931144796 /nfs/dbraw/zinc/14/47/96/931144796.db2.gz ZWTWMURLICQTPA-JHJVBQTASA-N 2 2 294.399 0.922 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCCO)C1 ZINC001449791318 931188385 /nfs/dbraw/zinc/18/83/85/931188385.db2.gz AMGQQTAFZYWHJW-CHWSQXEVSA-N 2 2 269.389 0.044 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC001449791318 931188389 /nfs/dbraw/zinc/18/83/89/931188389.db2.gz AMGQQTAFZYWHJW-CHWSQXEVSA-N 2 2 269.389 0.044 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001449791318 931188393 /nfs/dbraw/zinc/18/83/93/931188393.db2.gz AMGQQTAFZYWHJW-CHWSQXEVSA-N 2 2 269.389 0.044 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccccn1 ZINC001376823859 931292091 /nfs/dbraw/zinc/29/20/91/931292091.db2.gz KPUFOGQOFHVLNO-LLVKDONJSA-N 2 2 273.340 0.642 20 0 CCADLP Cc1cc(C[NH2+][C@@H](C)CNC(=O)Cn2cc[nH+]c2)on1 ZINC001376888611 931313045 /nfs/dbraw/zinc/31/30/45/931313045.db2.gz SCPDRSMZPQMNLZ-NSHDSACASA-N 2 2 277.328 0.474 20 0 CCADLP C[C@@H](CC[NH+](C)C)C(=O)N1CCn2c[nH+]cc2C1 ZINC001450721093 931328745 /nfs/dbraw/zinc/32/87/45/931328745.db2.gz LBQGXZFMSXJBCB-NSHDSACASA-N 2 2 250.346 0.813 20 0 CCADLP C[C@H](CCNC(=O)CCn1cc[nH+]c1)[NH2+]C[C@@H]1CCOC1 ZINC001377058406 931372092 /nfs/dbraw/zinc/37/20/92/931372092.db2.gz XHEVQFKDOQHFDC-KGLIPLIRSA-N 2 2 294.399 0.794 20 0 CCADLP C[C@@H](CC[NH2+]C1CC[NH+](CC(=O)[O-])CC1)[NH+](C)C ZINC001592519610 978363622 /nfs/dbraw/zinc/36/36/22/978363622.db2.gz JCVHVZNHJAXYIE-NSHDSACASA-N 2 2 257.378 0.465 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000573322112 334927617 /nfs/dbraw/zinc/92/76/17/334927617.db2.gz OLPCWCIDPBPQHV-AEGPPILISA-N 2 2 295.427 0.887 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N1CC[NH+](C2CC2)CC1 ZINC000091542976 349466551 /nfs/dbraw/zinc/46/65/51/349466551.db2.gz JCAAROMOYOGJRH-ZDUSSCGKSA-N 2 2 253.390 0.487 20 0 CCADLP C[C@H](CN1CCOCC1)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000091578160 349468445 /nfs/dbraw/zinc/46/84/45/349468445.db2.gz QYTRFAULTWFRDR-OAHLLOKOSA-N 2 2 299.459 0.486 20 0 CCADLP C[C@H](CN1CCOCC1)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000091578160 349468448 /nfs/dbraw/zinc/46/84/48/349468448.db2.gz QYTRFAULTWFRDR-OAHLLOKOSA-N 2 2 299.459 0.486 20 0 CCADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH+]1CCC([NH3+])CC1 ZINC000092714245 349503081 /nfs/dbraw/zinc/50/30/81/349503081.db2.gz FGIFPLJGKMFSCH-ZDUSSCGKSA-N 2 2 297.399 0.354 20 0 CCADLP O=C(CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)N1CCOCC1 ZINC000095962939 185044174 /nfs/dbraw/zinc/04/41/74/185044174.db2.gz YGOADTWZKJPTRN-CYBMUJFWSA-N 2 2 292.383 0.838 20 0 CCADLP O=C(CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)N1CCOCC1 ZINC000095962939 185044176 /nfs/dbraw/zinc/04/41/76/185044176.db2.gz YGOADTWZKJPTRN-CYBMUJFWSA-N 2 2 292.383 0.838 20 0 CCADLP C[C@@H](c1ccccn1)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093236759 349533597 /nfs/dbraw/zinc/53/35/97/349533597.db2.gz NPBFMRMBALVHSF-ZDUSSCGKSA-N 2 2 276.384 0.848 20 0 CCADLP C[C@@H](c1ccccn1)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093236759 349533600 /nfs/dbraw/zinc/53/36/00/349533600.db2.gz NPBFMRMBALVHSF-ZDUSSCGKSA-N 2 2 276.384 0.848 20 0 CCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCC[NH+]1C ZINC000617505523 365660769 /nfs/dbraw/zinc/66/07/69/365660769.db2.gz GGTJBRRDDVNJDV-KBPBESRZSA-N 3 2 284.448 0.469 20 0 CCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCC[NH+]1C ZINC000617505523 365660780 /nfs/dbraw/zinc/66/07/80/365660780.db2.gz GGTJBRRDDVNJDV-KBPBESRZSA-N 3 2 284.448 0.469 20 0 CCADLP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000617505523 365660785 /nfs/dbraw/zinc/66/07/85/365660785.db2.gz GGTJBRRDDVNJDV-KBPBESRZSA-N 3 2 284.448 0.469 20 0 CCADLP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000617505523 365660792 /nfs/dbraw/zinc/66/07/92/365660792.db2.gz GGTJBRRDDVNJDV-KBPBESRZSA-N 3 2 284.448 0.469 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1)C(=O)OC ZINC000094341367 349566751 /nfs/dbraw/zinc/56/67/51/349566751.db2.gz NLPJASJTXNUCCL-OPDFLTKYSA-N 2 2 299.415 0.359 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1)C(=O)OC ZINC000094341367 349566754 /nfs/dbraw/zinc/56/67/54/349566754.db2.gz NLPJASJTXNUCCL-OPDFLTKYSA-N 2 2 299.415 0.359 20 0 CCADLP CC1CCN(C(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)CC1 ZINC000094341615 349566857 /nfs/dbraw/zinc/56/68/57/349566857.db2.gz VCHOCOBAYKBIMD-CHWSQXEVSA-N 2 2 253.390 0.914 20 0 CCADLP CC1CCN(C(=O)C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)CC1 ZINC000094341615 349566860 /nfs/dbraw/zinc/56/68/60/349566860.db2.gz VCHOCOBAYKBIMD-CHWSQXEVSA-N 2 2 253.390 0.914 20 0 CCADLP CC[C@]1(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CCC[NH2+]1 ZINC000449657414 529386934 /nfs/dbraw/zinc/38/69/34/529386934.db2.gz OZPJOCQZQMAXBQ-CMPLNLGQSA-N 2 2 275.343 0.880 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)/C=C\C[NH+](C)C)CCO1 ZINC000493769425 529390930 /nfs/dbraw/zinc/39/09/30/529390930.db2.gz GHSFGJFSFOUWEO-CFHLNLSMSA-N 2 2 269.389 0.331 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)/C=C\C[NH+](C)C)CCO1 ZINC000493769425 529390931 /nfs/dbraw/zinc/39/09/31/529390931.db2.gz GHSFGJFSFOUWEO-CFHLNLSMSA-N 2 2 269.389 0.331 20 0 CCADLP CC[C@H]([NH3+])C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000423779957 529441144 /nfs/dbraw/zinc/44/11/44/529441144.db2.gz IUQNJVYKSMODMM-NSHDSACASA-N 2 2 263.345 0.171 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000492688915 529550802 /nfs/dbraw/zinc/55/08/02/529550802.db2.gz LLMXMXZEDVBHMF-IHVVCDCBSA-N 2 2 292.383 0.441 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418263764 529574517 /nfs/dbraw/zinc/57/45/17/529574517.db2.gz JRTGZBWRXOJAHK-GHMZBOCLSA-N 2 2 265.361 0.700 20 0 CCADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCCCCC1 ZINC000107574215 349738626 /nfs/dbraw/zinc/73/86/26/349738626.db2.gz KOELXWAXZRZDKC-BETUJISGSA-N 2 2 251.374 0.540 20 0 CCADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCCCCC1 ZINC000107574215 349738629 /nfs/dbraw/zinc/73/86/29/349738629.db2.gz KOELXWAXZRZDKC-BETUJISGSA-N 2 2 251.374 0.540 20 0 CCADLP C[C@@H](C(=O)NC1CCCC1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107579196 349738823 /nfs/dbraw/zinc/73/88/23/349738823.db2.gz WIEFIPMLWLPFAO-SDDRHHMPSA-N 2 2 251.374 0.585 20 0 CCADLP C[C@@H](C(=O)NC1CCCC1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107579196 349738825 /nfs/dbraw/zinc/73/88/25/349738825.db2.gz WIEFIPMLWLPFAO-SDDRHHMPSA-N 2 2 251.374 0.585 20 0 CCADLP CC1CCN(C(=O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000107579373 349739010 /nfs/dbraw/zinc/73/90/10/349739010.db2.gz RAILJPPPVCXSCZ-CHWSQXEVSA-N 2 2 251.374 0.396 20 0 CCADLP COC(=O)c1cnc(C[NH2+][C@](C)(C[NH3+])C(C)C)cn1 ZINC000600706343 362039303 /nfs/dbraw/zinc/03/93/03/362039303.db2.gz VAOXGDWUKUBMEQ-CYBMUJFWSA-N 2 2 266.345 0.726 20 0 CCADLP COC(=O)CCNC(=O)CC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000600712619 362044078 /nfs/dbraw/zinc/04/40/78/362044078.db2.gz ZFVGKMDQEACLSV-NEPJUHHUSA-N 2 2 285.388 0.176 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)C[C@@H](C)O1 ZINC000600775225 362059439 /nfs/dbraw/zinc/05/94/39/362059439.db2.gz MAVRZFJCVWUXCM-MDZLAQPJSA-N 2 2 256.346 0.248 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)C[C@@H](C)O1 ZINC000600775225 362059441 /nfs/dbraw/zinc/05/94/41/362059441.db2.gz MAVRZFJCVWUXCM-MDZLAQPJSA-N 2 2 256.346 0.248 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000600949963 362096329 /nfs/dbraw/zinc/09/63/29/362096329.db2.gz ASGCTLHKNUUZBN-RYUDHWBXSA-N 2 2 250.346 0.872 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000600949963 362096333 /nfs/dbraw/zinc/09/63/33/362096333.db2.gz ASGCTLHKNUUZBN-RYUDHWBXSA-N 2 2 250.346 0.872 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)Cn2cc[nH+]c2)[C@@H](C)CO1 ZINC000617722896 365728607 /nfs/dbraw/zinc/72/86/07/365728607.db2.gz GPRHQIPCFMVYHQ-NWDGAFQWSA-N 2 2 266.345 0.109 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)Cn2cc[nH+]c2)[C@@H](C)CO1 ZINC000617722896 365728612 /nfs/dbraw/zinc/72/86/12/365728612.db2.gz GPRHQIPCFMVYHQ-NWDGAFQWSA-N 2 2 266.345 0.109 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)CCc2c[nH+]cn2C)[C@H](C)CO1 ZINC000617724725 365730967 /nfs/dbraw/zinc/73/09/67/365730967.db2.gz BFVPPQUVXJDMJA-CHWSQXEVSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)CCc2c[nH+]cn2C)[C@H](C)CO1 ZINC000617724725 365730976 /nfs/dbraw/zinc/73/09/76/365730976.db2.gz BFVPPQUVXJDMJA-CHWSQXEVSA-N 2 2 294.399 0.578 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617725746 365733983 /nfs/dbraw/zinc/73/39/83/365733983.db2.gz OKRSQBMRRVOZMJ-WDEREUQCSA-N 2 2 280.372 0.486 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617725746 365733986 /nfs/dbraw/zinc/73/39/86/365733986.db2.gz OKRSQBMRRVOZMJ-WDEREUQCSA-N 2 2 280.372 0.486 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)Cc2c[nH+]cn2C)[C@@H](C)CO1 ZINC000617725852 365734538 /nfs/dbraw/zinc/73/45/38/365734538.db2.gz PNMLYEBCWYQQPF-NWDGAFQWSA-N 2 2 280.372 0.188 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)Cc2c[nH+]cn2C)[C@@H](C)CO1 ZINC000617725852 365734546 /nfs/dbraw/zinc/73/45/46/365734546.db2.gz PNMLYEBCWYQQPF-NWDGAFQWSA-N 2 2 280.372 0.188 20 0 CCADLP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N1CCC[NH2+]CC1 ZINC000573459580 334939819 /nfs/dbraw/zinc/93/98/19/334939819.db2.gz JJDNOUGUNCRRGB-UHFFFAOYSA-N 2 2 287.323 0.095 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601333136 362229923 /nfs/dbraw/zinc/22/99/23/362229923.db2.gz AYYXDLLMMXDESQ-RYUDHWBXSA-N 2 2 282.388 0.296 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601333136 362229928 /nfs/dbraw/zinc/22/99/28/362229928.db2.gz AYYXDLLMMXDESQ-RYUDHWBXSA-N 2 2 282.388 0.296 20 0 CCADLP COC(=O)c1cnc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cn1 ZINC000601334944 362231228 /nfs/dbraw/zinc/23/12/28/362231228.db2.gz OVRIZDPZYZYDQG-FZMZJTMJSA-N 2 2 290.367 0.837 20 0 CCADLP COC(=O)c1cnc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cn1 ZINC000601334944 362231239 /nfs/dbraw/zinc/23/12/39/362231239.db2.gz OVRIZDPZYZYDQG-FZMZJTMJSA-N 2 2 290.367 0.837 20 0 CCADLP C[C@@H](CCNC(=O)CCc1c[nH+]cn1C)[NH+](C)C ZINC000617757942 365760113 /nfs/dbraw/zinc/76/01/13/365760113.db2.gz DMFSBPAKXXWPEZ-NSHDSACASA-N 2 2 252.362 0.809 20 0 CCADLP CCOC[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000113504468 349813395 /nfs/dbraw/zinc/81/33/95/349813395.db2.gz GPHAVIDMFXYOBL-HUUCEWRRSA-N 2 2 286.416 0.428 20 0 CCADLP CCOC[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000113504468 349813396 /nfs/dbraw/zinc/81/33/96/349813396.db2.gz GPHAVIDMFXYOBL-HUUCEWRRSA-N 2 2 286.416 0.428 20 0 CCADLP CCCn1nccc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617763223 365766273 /nfs/dbraw/zinc/76/62/73/365766273.db2.gz JXCFLBNYCWFYQR-UHFFFAOYSA-N 2 2 295.431 0.906 20 0 CCADLP CCCn1nccc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617763223 365766279 /nfs/dbraw/zinc/76/62/79/365766279.db2.gz JXCFLBNYCWFYQR-UHFFFAOYSA-N 2 2 295.431 0.906 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113513872 349815892 /nfs/dbraw/zinc/81/58/92/349815892.db2.gz RKVZZDNAMNYACS-LBPRGKRZSA-N 2 2 284.404 0.352 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113513872 349815894 /nfs/dbraw/zinc/81/58/94/349815894.db2.gz RKVZZDNAMNYACS-LBPRGKRZSA-N 2 2 284.404 0.352 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CC(F)(F)F ZINC000617767195 365773458 /nfs/dbraw/zinc/77/34/58/365773458.db2.gz KDAOPEOMIOMBSX-UHFFFAOYSA-N 2 2 269.311 0.939 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CC(F)(F)F ZINC000617767195 365773460 /nfs/dbraw/zinc/77/34/60/365773460.db2.gz KDAOPEOMIOMBSX-UHFFFAOYSA-N 2 2 269.311 0.939 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCC[NH+](C)C ZINC000617767177 365774284 /nfs/dbraw/zinc/77/42/84/365774284.db2.gz JQHXHJSFBLDINW-HNNXBMFYSA-N 3 2 298.475 0.861 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCC[NH+](C)C ZINC000617767177 365774289 /nfs/dbraw/zinc/77/42/89/365774289.db2.gz JQHXHJSFBLDINW-HNNXBMFYSA-N 3 2 298.475 0.861 20 0 CCADLP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767177 365774296 /nfs/dbraw/zinc/77/42/96/365774296.db2.gz JQHXHJSFBLDINW-HNNXBMFYSA-N 3 2 298.475 0.861 20 0 CCADLP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767177 365774300 /nfs/dbraw/zinc/77/43/00/365774300.db2.gz JQHXHJSFBLDINW-HNNXBMFYSA-N 3 2 298.475 0.861 20 0 CCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000449699215 529779595 /nfs/dbraw/zinc/77/95/95/529779595.db2.gz PJUIHVFLIAEPAA-OAHLLOKOSA-N 2 2 299.378 0.506 20 0 CCADLP CN(C)c1ccc(CNC(=O)c2ccnc(C[NH3+])c2)c[nH+]1 ZINC000361611939 529782265 /nfs/dbraw/zinc/78/22/65/529782265.db2.gz VBQIKUKGUVVDQO-UHFFFAOYSA-N 2 2 285.351 0.931 20 0 CCADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000423871567 529788363 /nfs/dbraw/zinc/78/83/63/529788363.db2.gz PTEYUEINMWTWLM-KFWWJZLASA-N 2 2 295.427 0.683 20 0 CCADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000423871567 529788364 /nfs/dbraw/zinc/78/83/64/529788364.db2.gz PTEYUEINMWTWLM-KFWWJZLASA-N 2 2 295.427 0.683 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000423753301 529789578 /nfs/dbraw/zinc/78/95/78/529789578.db2.gz XFABAOXOKBDJNF-DYEKYZERSA-N 2 2 269.389 0.341 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000423753301 529789579 /nfs/dbraw/zinc/78/95/79/529789579.db2.gz XFABAOXOKBDJNF-DYEKYZERSA-N 2 2 269.389 0.341 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000423748372 529789922 /nfs/dbraw/zinc/78/99/22/529789922.db2.gz QSPFIPBELWWWMH-KGLIPLIRSA-N 2 2 295.358 0.315 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000423748372 529789923 /nfs/dbraw/zinc/78/99/23/529789923.db2.gz QSPFIPBELWWWMH-KGLIPLIRSA-N 2 2 295.358 0.315 20 0 CCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)C=Cc3c[nH]c[nH+]3)[C@H]2C1 ZINC000492811630 529796567 /nfs/dbraw/zinc/79/65/67/529796567.db2.gz KWAGFJCXZRIENY-FIFDWTMUSA-N 2 2 260.341 0.976 20 0 CCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)C=Cc3c[nH]c[nH+]3)[C@H]2C1 ZINC000492811630 529796569 /nfs/dbraw/zinc/79/65/69/529796569.db2.gz KWAGFJCXZRIENY-FIFDWTMUSA-N 2 2 260.341 0.976 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)n1C ZINC000425347090 529808145 /nfs/dbraw/zinc/80/81/45/529808145.db2.gz XGJGPQLVXQKKIX-AWEZNQCLSA-N 2 2 264.373 0.833 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2CC[C@@](O)(C3CC3)C2)n1C ZINC000425347090 529808148 /nfs/dbraw/zinc/80/81/48/529808148.db2.gz XGJGPQLVXQKKIX-AWEZNQCLSA-N 2 2 264.373 0.833 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2CC[C@@](O)(C(F)F)C2)n1C ZINC000425374289 529808238 /nfs/dbraw/zinc/80/82/38/529808238.db2.gz WRGNXNDVVPAWFB-LBPRGKRZSA-N 2 2 274.315 0.688 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2CC[C@@](O)(C(F)F)C2)n1C ZINC000425374289 529808239 /nfs/dbraw/zinc/80/82/39/529808239.db2.gz WRGNXNDVVPAWFB-LBPRGKRZSA-N 2 2 274.315 0.688 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)n1C ZINC000425377743 529809420 /nfs/dbraw/zinc/80/94/20/529809420.db2.gz HXILEOOBGCRPDH-RYUDHWBXSA-N 2 2 282.388 0.221 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCCO[C@@H]2CCOC2)n1C ZINC000425339387 529809458 /nfs/dbraw/zinc/80/94/58/529809458.db2.gz CLYZQHMRLQKELN-CYBMUJFWSA-N 2 2 282.388 0.771 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@H](CO)[C@H]2CCCO2)n1C ZINC000425337055 529810664 /nfs/dbraw/zinc/81/06/64/529810664.db2.gz MJOIJMDTGTWVDO-VXGBXAGGSA-N 2 2 268.361 0.116 20 0 CCADLP CN(CC(C)(C)C[NH3+])C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000418223553 529845016 /nfs/dbraw/zinc/84/50/16/529845016.db2.gz VBQSZEITWTWHMD-CYBMUJFWSA-N 2 2 298.431 0.476 20 0 CCADLP CN(CC(C)(C)C[NH3+])C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000418223553 529845017 /nfs/dbraw/zinc/84/50/17/529845017.db2.gz VBQSZEITWTWHMD-CYBMUJFWSA-N 2 2 298.431 0.476 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C2CC[NH+](C)CC2)n1C ZINC000602000422 362453825 /nfs/dbraw/zinc/45/38/25/362453825.db2.gz YGHKQUGOGBHROK-UHFFFAOYSA-N 2 2 265.357 0.996 20 0 CCADLP C[NH+]1CCC(CCO)([NH2+]Cc2cccc(C(N)=O)c2)CC1 ZINC000361464671 530049067 /nfs/dbraw/zinc/04/90/67/530049067.db2.gz RXNNALRUVACHBX-UHFFFAOYSA-N 2 2 291.395 0.722 20 0 CCADLP C[NH+](C)Cc1ccc(C(=O)NCC[NH+]2CCOCC2)cn1 ZINC000339234340 232031252 /nfs/dbraw/zinc/03/12/52/232031252.db2.gz POCYBCBLWZKGFN-UHFFFAOYSA-N 2 2 292.383 0.205 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C3CCOCC3)C2)CC1 ZINC000367389919 530068056 /nfs/dbraw/zinc/06/80/56/530068056.db2.gz LPEPPFHIZACNMP-OAHLLOKOSA-N 2 2 295.427 0.509 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C3CCOCC3)C2)CC1 ZINC000367389919 530068057 /nfs/dbraw/zinc/06/80/57/530068057.db2.gz LPEPPFHIZACNMP-OAHLLOKOSA-N 2 2 295.427 0.509 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCc3c2cccc3O)CC1 ZINC000451173207 530068285 /nfs/dbraw/zinc/06/82/85/530068285.db2.gz ADUVOKLNUVMXMO-CQSZACIVSA-N 2 2 289.379 0.743 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2cc(F)cc(F)c2)CCO1 ZINC000358142502 232049475 /nfs/dbraw/zinc/04/94/75/232049475.db2.gz ZQGCPZWBIYCLAT-CYBMUJFWSA-N 2 2 299.321 0.953 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2cc(F)cc(F)c2)CCO1 ZINC000358142502 232049479 /nfs/dbraw/zinc/04/94/79/232049479.db2.gz ZQGCPZWBIYCLAT-CYBMUJFWSA-N 2 2 299.321 0.953 20 0 CCADLP C[C@H]1C[C@@H]1N1C[C@H]([NH2+][C@H]2C[N@H+](C)C[C@H]2C)CC1=O ZINC000358180066 232058386 /nfs/dbraw/zinc/05/83/86/232058386.db2.gz SHSRLPJYFOLSIZ-QWQWKMKNSA-N 2 2 251.374 0.535 20 0 CCADLP C[C@H]1C[C@@H]1N1C[C@H]([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CC1=O ZINC000358180066 232058390 /nfs/dbraw/zinc/05/83/90/232058390.db2.gz SHSRLPJYFOLSIZ-QWQWKMKNSA-N 2 2 251.374 0.535 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000178860711 290737487 /nfs/dbraw/zinc/73/74/87/290737487.db2.gz ZKHNFNCNIZLMJO-MELADBBJSA-N 2 2 281.400 0.308 20 0 CCADLP O=C1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CN1 ZINC000361480859 232139046 /nfs/dbraw/zinc/13/90/46/232139046.db2.gz HCRCCGXWJRDBNF-AWEZNQCLSA-N 2 2 288.395 0.914 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000602515364 362651726 /nfs/dbraw/zinc/65/17/26/362651726.db2.gz WSWNHDNBJUMHQP-RYUDHWBXSA-N 2 2 285.388 0.080 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000602515364 362651729 /nfs/dbraw/zinc/65/17/29/362651729.db2.gz WSWNHDNBJUMHQP-RYUDHWBXSA-N 2 2 285.388 0.080 20 0 CCADLP C[C@H](NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1[nH]cc[nH+]1 ZINC000367584290 232399949 /nfs/dbraw/zinc/39/99/49/232399949.db2.gz AJNYECLPFPHZCF-QJPTWQEYSA-N 2 2 250.346 0.924 20 0 CCADLP CN1CC[C@@H]([NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)C1=O ZINC000334495086 290130427 /nfs/dbraw/zinc/13/04/27/290130427.db2.gz GFBOTIIZEHBBHA-TZMCWYRMSA-N 2 2 251.374 0.635 20 0 CCADLP CN1CC[C@@H]([NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)C1=O ZINC000334495086 290130430 /nfs/dbraw/zinc/13/04/30/290130430.db2.gz GFBOTIIZEHBBHA-TZMCWYRMSA-N 2 2 251.374 0.635 20 0 CCADLP CCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000655271519 412525857 /nfs/dbraw/zinc/52/58/57/412525857.db2.gz CIBCWBQUPFXYBW-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP CCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000655271519 412525861 /nfs/dbraw/zinc/52/58/61/412525861.db2.gz CIBCWBQUPFXYBW-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP CN1CC[C@@H]([N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)C1=O ZINC000334495086 290130419 /nfs/dbraw/zinc/13/04/19/290130419.db2.gz GFBOTIIZEHBBHA-TZMCWYRMSA-N 2 2 251.374 0.635 20 0 CCADLP CN1CC[C@@H]([N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)C1=O ZINC000334495086 290130423 /nfs/dbraw/zinc/13/04/23/290130423.db2.gz GFBOTIIZEHBBHA-TZMCWYRMSA-N 2 2 251.374 0.635 20 0 CCADLP CC[C@@H](C(=O)NCC[NH+](C)C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339236162 215032890 /nfs/dbraw/zinc/03/28/90/215032890.db2.gz RNMIDWLHQGQMCT-STQMWFEESA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@@H](C(=O)NCC[NH+](C)C)[N@H+]1CCO[C@@H](CC)C1 ZINC000339236162 215032892 /nfs/dbraw/zinc/03/28/92/215032892.db2.gz RNMIDWLHQGQMCT-STQMWFEESA-N 2 2 271.405 0.554 20 0 CCADLP CCc1nocc1C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000339244471 215037454 /nfs/dbraw/zinc/03/74/54/215037454.db2.gz ATTNATPFQGEVSC-CYBMUJFWSA-N 2 2 280.372 0.666 20 0 CCADLP CCc1nocc1C[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000339244471 215037456 /nfs/dbraw/zinc/03/74/56/215037456.db2.gz ATTNATPFQGEVSC-CYBMUJFWSA-N 2 2 280.372 0.666 20 0 CCADLP COC(=O)[C@@H](O)C1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000602800939 362807328 /nfs/dbraw/zinc/80/73/28/362807328.db2.gz ZXTHYIZKPHEQQE-ZDUSSCGKSA-N 2 2 281.356 0.209 20 0 CCADLP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261704215 295772996 /nfs/dbraw/zinc/77/29/96/295772996.db2.gz OOQGXQZBBFUMFW-ZFWWWQNUSA-N 2 2 294.443 0.413 20 0 CCADLP C[C@H](CC(=O)N(C)CC1C[NH+](C)C1)n1cc[nH+]c1 ZINC000618188617 365918593 /nfs/dbraw/zinc/91/85/93/365918593.db2.gz DMRPWPFJTHTXEB-LLVKDONJSA-N 2 2 250.346 0.854 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NCCCOC)C1 ZINC000251532972 137001782 /nfs/dbraw/zinc/00/17/82/137001782.db2.gz GDTJXLFYXAZBBO-NEPJUHHUSA-N 2 2 257.378 0.069 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)C(=O)NCCCOC)C1 ZINC000251532972 137001783 /nfs/dbraw/zinc/00/17/83/137001783.db2.gz GDTJXLFYXAZBBO-NEPJUHHUSA-N 2 2 257.378 0.069 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000618189418 365919201 /nfs/dbraw/zinc/91/92/01/365919201.db2.gz JCMDXWIJYRNLKJ-GFCCVEGCSA-N 2 2 262.357 0.466 20 0 CCADLP Cn1nccc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252538854 137003003 /nfs/dbraw/zinc/00/30/03/137003003.db2.gz AXTKLWLYSGYKDW-QWHCGFSZSA-N 2 2 250.346 0.373 20 0 CCADLP Cn1nccc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252538854 137003004 /nfs/dbraw/zinc/00/30/04/137003004.db2.gz AXTKLWLYSGYKDW-QWHCGFSZSA-N 2 2 250.346 0.373 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000618189419 365919760 /nfs/dbraw/zinc/91/97/60/365919760.db2.gz JCMDXWIJYRNLKJ-LBPRGKRZSA-N 2 2 262.357 0.466 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261635268 137012988 /nfs/dbraw/zinc/01/29/88/137012988.db2.gz BSKBZIWXKBWODG-NEPJUHHUSA-N 2 2 282.388 0.010 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261635268 137012989 /nfs/dbraw/zinc/01/29/89/137012989.db2.gz BSKBZIWXKBWODG-NEPJUHHUSA-N 2 2 282.388 0.010 20 0 CCADLP CC1CCN(C(=O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000261637232 137013493 /nfs/dbraw/zinc/01/34/93/137013493.db2.gz WRSFJLXNRKCMKJ-ZIAGYGMSSA-N 2 2 265.401 0.929 20 0 CCADLP CC1CCN(C(=O)C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000261637232 137013494 /nfs/dbraw/zinc/01/34/94/137013494.db2.gz WRSFJLXNRKCMKJ-ZIAGYGMSSA-N 2 2 265.401 0.929 20 0 CCADLP COc1ccccc1CNC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261666786 137014825 /nfs/dbraw/zinc/01/48/25/137014825.db2.gz LBUHMDYBAJMRMC-MRXNPFEDSA-N 2 2 291.395 0.982 20 0 CCADLP COc1ccccc1CNC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261666786 137014826 /nfs/dbraw/zinc/01/48/26/137014826.db2.gz LBUHMDYBAJMRMC-MRXNPFEDSA-N 2 2 291.395 0.982 20 0 CCADLP [NH3+]C[C@H](C(=O)N1CC[NH+](CCO)CC1)c1ccc(F)cc1 ZINC000262419898 137042809 /nfs/dbraw/zinc/04/28/09/137042809.db2.gz RPUHXDMMBMZEPC-AWEZNQCLSA-N 2 2 295.358 0.005 20 0 CCADLP O=C(NCC[C@H]1CC[NH2+]C1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000262583979 137047338 /nfs/dbraw/zinc/04/73/38/137047338.db2.gz SNFYWDFIOZFIJI-GFCCVEGCSA-N 2 2 285.351 0.997 20 0 CCADLP C[NH2+]C1CC[NH+](CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000261728008 137017146 /nfs/dbraw/zinc/01/71/46/137017146.db2.gz QTOFTFRHMBBIHI-UHFFFAOYSA-N 2 2 287.363 0.966 20 0 CCADLP C[C@@H]([NH3+])CC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000261747476 137018010 /nfs/dbraw/zinc/01/80/10/137018010.db2.gz HBHNXRJSHDDPDT-HIFRSBDPSA-N 2 2 291.395 0.913 20 0 CCADLP O=c1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)nc2ccccn12 ZINC000261752026 137018425 /nfs/dbraw/zinc/01/84/25/137018425.db2.gz TZRXPNCVOWSMGU-OCCSQVGLSA-N 2 2 284.363 0.878 20 0 CCADLP O=c1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)nc2ccccn12 ZINC000261752026 137018426 /nfs/dbraw/zinc/01/84/26/137018426.db2.gz TZRXPNCVOWSMGU-OCCSQVGLSA-N 2 2 284.363 0.878 20 0 CCADLP Cc1nc([C@H]2C[N@H+](CC3CC[NH2+]CC3)CCO2)no1 ZINC000261821168 137021318 /nfs/dbraw/zinc/02/13/18/137021318.db2.gz IIGONZJRNYENRB-GFCCVEGCSA-N 2 2 266.345 0.751 20 0 CCADLP Cc1nc([C@H]2C[N@@H+](CC3CC[NH2+]CC3)CCO2)no1 ZINC000261821168 137021319 /nfs/dbraw/zinc/02/13/19/137021319.db2.gz IIGONZJRNYENRB-GFCCVEGCSA-N 2 2 266.345 0.751 20 0 CCADLP [NH3+]Cc1nc(CN2CCCC[C@H]2C[NH+]2CCOCC2)no1 ZINC000262243940 137033030 /nfs/dbraw/zinc/03/30/30/137033030.db2.gz PIBHNJVLFCJLSP-LBPRGKRZSA-N 2 2 295.387 0.215 20 0 CCADLP COC[C@H]([NH3+])C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000262265485 137033679 /nfs/dbraw/zinc/03/36/79/137033679.db2.gz JVHNOMPQDBTNTA-LBPRGKRZSA-N 2 2 278.356 0.272 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)[NH+]1CCN(C)CC1 ZINC000262306405 137036218 /nfs/dbraw/zinc/03/62/18/137036218.db2.gz RNHYDAPLDCKYEQ-MCIONIFRSA-N 2 2 282.432 0.256 20 0 CCADLP COC[C@H]([NH3+])C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000263253982 137061685 /nfs/dbraw/zinc/06/16/85/137061685.db2.gz PZWQBJCAMHAMJW-AWEZNQCLSA-N 2 2 288.351 0.521 20 0 CCADLP C[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000342455942 137095103 /nfs/dbraw/zinc/09/51/03/137095103.db2.gz XPGIXBTYWAZRJO-JQWIXIFHSA-N 2 2 279.365 0.857 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)[C@@H](C)C1 ZINC000343457228 137136329 /nfs/dbraw/zinc/13/63/29/137136329.db2.gz WDVGMKNLYNKFIG-XHSDSOJGSA-N 3 2 282.476 0.942 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)[C@@H](C)C1 ZINC000343457228 137136330 /nfs/dbraw/zinc/13/63/30/137136330.db2.gz WDVGMKNLYNKFIG-XHSDSOJGSA-N 3 2 282.476 0.942 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000343654306 137147781 /nfs/dbraw/zinc/14/77/81/137147781.db2.gz OEDCJSBDMJHLQM-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000343654306 137147782 /nfs/dbraw/zinc/14/77/82/137147782.db2.gz OEDCJSBDMJHLQM-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]C[C@H](O)COCC(C)C)[C@@H](C)C1 ZINC000343714440 137151822 /nfs/dbraw/zinc/15/18/22/137151822.db2.gz NYNZTBAQBFIBMN-IHRRRGAJSA-N 2 2 258.406 0.950 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]C[C@H](O)COCC(C)C)[C@@H](C)C1 ZINC000343714440 137151823 /nfs/dbraw/zinc/15/18/23/137151823.db2.gz NYNZTBAQBFIBMN-IHRRRGAJSA-N 2 2 258.406 0.950 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NC[C@H]2C[NH+](C)CCO2)CCC[N@@H+]1C ZINC000343776203 137156276 /nfs/dbraw/zinc/15/62/76/137156276.db2.gz CWBJYMRFFDJLRS-AGIUHOORSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NC[C@H]2C[NH+](C)CCO2)CCC[N@H+]1C ZINC000343776203 137156277 /nfs/dbraw/zinc/15/62/77/137156277.db2.gz CWBJYMRFFDJLRS-AGIUHOORSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NC[C@H]2C[N@@H+](C)CCO2)CCC[NH+]1C ZINC000343776203 137156279 /nfs/dbraw/zinc/15/62/79/137156279.db2.gz CWBJYMRFFDJLRS-AGIUHOORSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)CCC[N@@H+]1C ZINC000343776207 137156364 /nfs/dbraw/zinc/15/63/64/137156364.db2.gz CWBJYMRFFDJLRS-JHJVBQTASA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)CCC[N@H+]1C ZINC000343776207 137156365 /nfs/dbraw/zinc/15/63/65/137156365.db2.gz CWBJYMRFFDJLRS-JHJVBQTASA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CCC[NH+]1C ZINC000343776207 137156367 /nfs/dbraw/zinc/15/63/67/137156367.db2.gz CWBJYMRFFDJLRS-JHJVBQTASA-N 2 2 284.404 0.099 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000344164624 137181196 /nfs/dbraw/zinc/18/11/96/137181196.db2.gz DAICJMGBOMVNFA-MGPQQGTHSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000344164624 137181197 /nfs/dbraw/zinc/18/11/97/137181197.db2.gz DAICJMGBOMVNFA-MGPQQGTHSA-N 2 2 283.416 0.554 20 0 CCADLP CN(CCC[N@H+](C)Cc1ncccn1)CC[NH+](C)C ZINC000344032462 137174026 /nfs/dbraw/zinc/17/40/26/137174026.db2.gz QBJQZRLSFALNNL-UHFFFAOYSA-N 2 2 265.405 0.792 20 0 CCADLP CN(CCC[N@@H+](C)Cc1ncccn1)CC[NH+](C)C ZINC000344032462 137174027 /nfs/dbraw/zinc/17/40/27/137174027.db2.gz QBJQZRLSFALNNL-UHFFFAOYSA-N 2 2 265.405 0.792 20 0 CCADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCSCC1 ZINC000343326386 137128735 /nfs/dbraw/zinc/12/87/35/137128735.db2.gz WXYQSLHWZLGUSP-VXGBXAGGSA-N 2 2 283.441 0.777 20 0 CCADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[NH+]1CCSCC1 ZINC000343326386 137128736 /nfs/dbraw/zinc/12/87/36/137128736.db2.gz WXYQSLHWZLGUSP-VXGBXAGGSA-N 2 2 283.441 0.777 20 0 CCADLP C[NH+](C)CC(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000343338245 137128863 /nfs/dbraw/zinc/12/88/63/137128863.db2.gz RENVFRJHPVYDJA-UHFFFAOYSA-N 2 2 259.313 0.827 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000344219702 137184629 /nfs/dbraw/zinc/18/46/29/137184629.db2.gz GHKJRMMABGCXLU-RBSFLKMASA-N 2 2 296.459 0.469 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000344219702 137184630 /nfs/dbraw/zinc/18/46/30/137184630.db2.gz GHKJRMMABGCXLU-RBSFLKMASA-N 2 2 296.459 0.469 20 0 CCADLP COCC[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC000684434150 545668810 /nfs/dbraw/zinc/66/88/10/545668810.db2.gz GLPHKGAYDOKQSP-CYBMUJFWSA-N 2 2 294.399 0.580 20 0 CCADLP COCC[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC000684434150 545668813 /nfs/dbraw/zinc/66/88/13/545668813.db2.gz GLPHKGAYDOKQSP-CYBMUJFWSA-N 2 2 294.399 0.580 20 0 CCADLP C[C@@H]1OCC[NH2+][C@@H]1C(=O)NCCCNc1cccc[nH+]1 ZINC000344489418 137197170 /nfs/dbraw/zinc/19/71/70/137197170.db2.gz KSNOEGDQBNULKT-AAEUAGOBSA-N 2 2 278.356 0.377 20 0 CCADLP CC(C)[NH+]1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000019899751 348074245 /nfs/dbraw/zinc/07/42/45/348074245.db2.gz HMVXNNALHDHMTG-GFCCVEGCSA-N 2 2 260.403 0.636 20 0 CCADLP Cc1[nH]nc2ncc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc12 ZINC000344845418 137216786 /nfs/dbraw/zinc/21/67/86/137216786.db2.gz JNAGVTBAKGQMFG-CQSZACIVSA-N 2 2 277.372 0.669 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000037008727 348178692 /nfs/dbraw/zinc/17/86/92/348178692.db2.gz URRKWSMZQXGMIZ-DZGCQCFKSA-N 2 2 291.395 0.913 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917722 348218231 /nfs/dbraw/zinc/21/82/31/348218231.db2.gz FKNTUPMKQXSAAP-STQMWFEESA-N 2 2 296.415 0.686 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917722 348218232 /nfs/dbraw/zinc/21/82/32/348218232.db2.gz FKNTUPMKQXSAAP-STQMWFEESA-N 2 2 296.415 0.686 20 0 CCADLP CO[C@@H]1C[C@@H](CN(C)CC[N@@H+]2CCOC[C@@H]2C)[NH+](C)C1 ZINC000345146726 137236523 /nfs/dbraw/zinc/23/65/23/137236523.db2.gz KBQWFJUFTIULOU-SOUVJXGZSA-N 2 2 285.432 0.358 20 0 CCADLP CO[C@@H]1C[C@@H](CN(C)CC[N@H+]2CCOC[C@@H]2C)[NH+](C)C1 ZINC000345146726 137236524 /nfs/dbraw/zinc/23/65/24/137236524.db2.gz KBQWFJUFTIULOU-SOUVJXGZSA-N 2 2 285.432 0.358 20 0 CCADLP CO[C@@H]1C[C@@H](CN(C)CC[NH+]2CCOC[C@@H]2C)[N@H+](C)C1 ZINC000345146726 137236525 /nfs/dbraw/zinc/23/65/25/137236525.db2.gz KBQWFJUFTIULOU-SOUVJXGZSA-N 2 2 285.432 0.358 20 0 CCADLP CO[C@@H]1C[C@@H](CN(C)CC[NH+]2CCOC[C@@H]2C)[N@@H+](C)C1 ZINC000345146726 137236526 /nfs/dbraw/zinc/23/65/26/137236526.db2.gz KBQWFJUFTIULOU-SOUVJXGZSA-N 2 2 285.432 0.358 20 0 CCADLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)[C@@H]1CCC[NH2+]1 ZINC000040429551 348233814 /nfs/dbraw/zinc/23/38/14/348233814.db2.gz RSOIUOSKMCNARN-ZDUSSCGKSA-N 2 2 290.367 0.286 20 0 CCADLP O=C(C[C@@H]1CCC[NH2+]1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000042169761 348268552 /nfs/dbraw/zinc/26/85/52/348268552.db2.gz UCSCWXHLJUZMSM-HNNXBMFYSA-N 2 2 288.395 0.868 20 0 CCADLP CCOC(=O)CC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000345773432 137252216 /nfs/dbraw/zinc/25/22/16/137252216.db2.gz XKIFSCQODSSAJS-UHFFFAOYSA-N 2 2 266.345 0.481 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]([NH3+])CC(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC000345823174 137254437 /nfs/dbraw/zinc/25/44/37/137254437.db2.gz UUEZTDLKTUFZDA-MXWKQRLJSA-N 2 2 291.342 0.148 20 0 CCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000346379527 137282580 /nfs/dbraw/zinc/28/25/80/137282580.db2.gz STLWNORVCAVQAZ-AWEZNQCLSA-N 2 2 297.443 0.897 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000346379527 137282581 /nfs/dbraw/zinc/28/25/81/137282581.db2.gz STLWNORVCAVQAZ-AWEZNQCLSA-N 2 2 297.443 0.897 20 0 CCADLP CCN(C#N)CC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000602903159 362877312 /nfs/dbraw/zinc/87/73/12/362877312.db2.gz BXWPKHGBURCMKM-CQSZACIVSA-N 2 2 268.405 0.832 20 0 CCADLP CCN(C#N)CC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000602903159 362877313 /nfs/dbraw/zinc/87/73/13/362877313.db2.gz BXWPKHGBURCMKM-CQSZACIVSA-N 2 2 268.405 0.832 20 0 CCADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cn(Cc2cccnc2)nn1 ZINC000346671895 137298165 /nfs/dbraw/zinc/29/81/65/137298165.db2.gz HPJQICDFCHIMDN-JSGCOSHPSA-N 2 2 286.383 0.891 20 0 CCADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cn(Cc2cccnc2)nn1 ZINC000346671895 137298166 /nfs/dbraw/zinc/29/81/66/137298166.db2.gz HPJQICDFCHIMDN-JSGCOSHPSA-N 2 2 286.383 0.891 20 0 CCADLP C[C@H](CO)[N@@H+]1CCCN([C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000346681954 137299090 /nfs/dbraw/zinc/29/90/90/137299090.db2.gz OSWPJTZVFBNVHF-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H](CO)[N@H+]1CCCN([C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000346681954 137299091 /nfs/dbraw/zinc/29/90/91/137299091.db2.gz OSWPJTZVFBNVHF-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000346223156 137273506 /nfs/dbraw/zinc/27/35/06/137273506.db2.gz QAECDGFUJBDPEZ-AWEZNQCLSA-N 2 2 297.443 0.945 20 0 CCADLP c1c[nH]c(CN2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000346986975 137314085 /nfs/dbraw/zinc/31/40/85/137314085.db2.gz QHRRTMSLQUHGEZ-CYBMUJFWSA-N 2 2 263.389 0.527 20 0 CCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(CC(C)(C)[NH3+])CC1 ZINC000346978975 137314130 /nfs/dbraw/zinc/31/41/30/137314130.db2.gz LLPPCRRARILIEE-ZDUSSCGKSA-N 2 2 282.432 0.352 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccon2)CC1 ZINC000349235038 137390346 /nfs/dbraw/zinc/39/03/46/137390346.db2.gz FTTHFYXBJIBSIA-NWDGAFQWSA-N 2 2 280.372 0.878 20 0 CCADLP COCC[N@@H+]1CC[C@H]([NH2+]CC[C@@H](O)C(F)(F)F)C1 ZINC000349335688 137392178 /nfs/dbraw/zinc/39/21/78/137392178.db2.gz VSXRFNDAOAAKPS-VHSXEESVSA-N 2 2 270.295 0.610 20 0 CCADLP COCC[N@H+]1CC[C@H]([NH2+]CC[C@@H](O)C(F)(F)F)C1 ZINC000349335688 137392179 /nfs/dbraw/zinc/39/21/79/137392179.db2.gz VSXRFNDAOAAKPS-VHSXEESVSA-N 2 2 270.295 0.610 20 0 CCADLP COc1ccc([C@@H](NC(=O)C[NH3+])c2[nH+]ccn2C)cc1 ZINC000347627755 137346608 /nfs/dbraw/zinc/34/66/08/137346608.db2.gz VAVWCYTXPIAEMN-CYBMUJFWSA-N 2 2 274.324 0.593 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCN1CCOCC1(C)C ZINC000347755661 137355017 /nfs/dbraw/zinc/35/50/17/137355017.db2.gz SUTFZXFKHAJMOP-CHWSQXEVSA-N 2 2 255.406 0.637 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCN1CCOCC1(C)C ZINC000347755661 137355018 /nfs/dbraw/zinc/35/50/18/137355018.db2.gz SUTFZXFKHAJMOP-CHWSQXEVSA-N 2 2 255.406 0.637 20 0 CCADLP COC(=O)[C@H]1C[N@H+](CCCCn2cc[nH+]c2C)CCO1 ZINC000120638381 349997529 /nfs/dbraw/zinc/99/75/29/349997529.db2.gz OXLUNGAIOIZHMB-CYBMUJFWSA-N 2 2 281.356 0.846 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](CCCCn2cc[nH+]c2C)CCO1 ZINC000120638381 349997533 /nfs/dbraw/zinc/99/75/33/349997533.db2.gz OXLUNGAIOIZHMB-CYBMUJFWSA-N 2 2 281.356 0.846 20 0 CCADLP C[C@H]1C[N@H+](Cc2nc(C(C)(C)[NH3+])no2)CCCO1 ZINC000061918618 348661514 /nfs/dbraw/zinc/66/15/14/348661514.db2.gz HGHBXQUEJAZMMV-VIFPVBQESA-N 2 2 254.334 0.874 20 0 CCADLP C[C@H]1C[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)CCCO1 ZINC000061918618 348661515 /nfs/dbraw/zinc/66/15/15/348661515.db2.gz HGHBXQUEJAZMMV-VIFPVBQESA-N 2 2 254.334 0.874 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccccc1CC[NH3+] ZINC000070551961 348892801 /nfs/dbraw/zinc/89/28/01/348892801.db2.gz HZLLBTDFFUCBTR-CYBMUJFWSA-N 2 2 291.395 0.638 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000070149946 348873195 /nfs/dbraw/zinc/87/31/95/348873195.db2.gz JHBMIHNPSPMCQN-LBPRGKRZSA-N 2 2 284.404 0.672 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000070149946 348873198 /nfs/dbraw/zinc/87/31/98/348873198.db2.gz JHBMIHNPSPMCQN-LBPRGKRZSA-N 2 2 284.404 0.672 20 0 CCADLP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C(=O)N1CCCCC1 ZINC000070143699 348873428 /nfs/dbraw/zinc/87/34/28/348873428.db2.gz QRIMGOUONYGMOJ-GFCCVEGCSA-N 2 2 293.415 0.977 20 0 CCADLP CCNC(=O)[C@@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000070143041 348873499 /nfs/dbraw/zinc/87/34/99/348873499.db2.gz ZIHJQKULQWGCDQ-SECBINFHSA-N 2 2 253.350 0.100 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000070172821 348877026 /nfs/dbraw/zinc/87/70/26/348877026.db2.gz SETVVASOYKPXFH-RYUDHWBXSA-N 2 2 250.346 0.859 20 0 CCADLP [NH3+]CCCCC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000070202635 348879507 /nfs/dbraw/zinc/87/95/07/348879507.db2.gz KTZDERYYHUZJCD-UHFFFAOYSA-N 2 2 276.384 0.855 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)[C@H]1CC12CC[NH2+]CC2 ZINC000070252244 348881347 /nfs/dbraw/zinc/88/13/47/348881347.db2.gz NAKRTXMRODINDJ-GFCCVEGCSA-N 2 2 262.357 0.779 20 0 CCADLP CC(C)[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000071031436 348902277 /nfs/dbraw/zinc/90/22/77/348902277.db2.gz UTEHPYXUKQALND-NSHDSACASA-N 2 2 250.346 0.909 20 0 CCADLP C[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000082256009 349292854 /nfs/dbraw/zinc/29/28/54/349292854.db2.gz GKHGDADMSNFYOQ-NEPJUHHUSA-N 2 2 262.357 0.634 20 0 CCADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCOCC2)C1 ZINC000081516613 349271195 /nfs/dbraw/zinc/27/11/95/349271195.db2.gz MBNKXMSDYRRAPU-CQSZACIVSA-N 2 2 283.416 0.509 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCOCC2)C1 ZINC000081516613 349271198 /nfs/dbraw/zinc/27/11/98/349271198.db2.gz MBNKXMSDYRRAPU-CQSZACIVSA-N 2 2 283.416 0.509 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000081516613 349271200 /nfs/dbraw/zinc/27/12/00/349271200.db2.gz MBNKXMSDYRRAPU-CQSZACIVSA-N 2 2 283.416 0.509 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000081516613 349271204 /nfs/dbraw/zinc/27/12/04/349271204.db2.gz MBNKXMSDYRRAPU-CQSZACIVSA-N 2 2 283.416 0.509 20 0 CCADLP [NH3+]C1(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000088129650 349357031 /nfs/dbraw/zinc/35/70/31/349357031.db2.gz PQRHVCYFHNRKJY-UHFFFAOYSA-N 2 2 259.353 0.822 20 0 CCADLP OCC1(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)COC1 ZINC000089127041 349375680 /nfs/dbraw/zinc/37/56/80/349375680.db2.gz RMALAPJUOMNJFJ-AWEZNQCLSA-N 2 2 284.400 0.040 20 0 CCADLP OCC1(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)COC1 ZINC000089127041 349375682 /nfs/dbraw/zinc/37/56/82/349375682.db2.gz RMALAPJUOMNJFJ-AWEZNQCLSA-N 2 2 284.400 0.040 20 0 CCADLP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cscn1 ZINC000271202022 190993950 /nfs/dbraw/zinc/99/39/50/190993950.db2.gz ZKUIQDLBEBEOQR-NSHDSACASA-N 2 2 282.413 0.958 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)CN1CC[NH+](C)CC1 ZINC000120804849 350007355 /nfs/dbraw/zinc/00/73/55/350007355.db2.gz XOHLRBIKCBTZCM-OWCLPIDISA-N 3 2 282.476 0.942 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)CC1CCCC1 ZINC000120871356 350010009 /nfs/dbraw/zinc/01/00/09/350010009.db2.gz MWRNSFHGRSRKDE-UHFFFAOYSA-N 2 2 253.390 0.882 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)CC1CCCC1 ZINC000120871356 350010012 /nfs/dbraw/zinc/01/00/12/350010012.db2.gz MWRNSFHGRSRKDE-UHFFFAOYSA-N 2 2 253.390 0.882 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)CCS1 ZINC000121162025 350025086 /nfs/dbraw/zinc/02/50/86/350025086.db2.gz NZMARWHQYDPLCY-GFCCVEGCSA-N 2 2 271.430 0.588 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CCS1 ZINC000121162025 350025089 /nfs/dbraw/zinc/02/50/89/350025089.db2.gz NZMARWHQYDPLCY-GFCCVEGCSA-N 2 2 271.430 0.588 20 0 CCADLP CCc1noc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)n1 ZINC000123045742 350072155 /nfs/dbraw/zinc/07/21/55/350072155.db2.gz QJLWATBIZBJYSM-UHFFFAOYSA-N 2 2 281.404 0.701 20 0 CCADLP [NH3+]Cc1nc(C(=O)NCCCn2cc[nH+]c2)cs1 ZINC000090930172 180063531 /nfs/dbraw/zinc/06/35/31/180063531.db2.gz ZFTQGBWNQZQVLM-UHFFFAOYSA-N 2 2 265.342 0.618 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000091291333 180122703 /nfs/dbraw/zinc/12/27/03/180122703.db2.gz JOHPZTKJOXQJTC-VIFPVBQESA-N 2 2 254.359 0.131 20 0 CCADLP CCC[C@@](C)(O)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000127454110 350169893 /nfs/dbraw/zinc/16/98/93/350169893.db2.gz LJEACYJOSPPIDI-OAHLLOKOSA-N 2 2 285.432 0.680 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NCCOc1ccccc1 ZINC000129088733 350205849 /nfs/dbraw/zinc/20/58/49/350205849.db2.gz SURNVNVNPNTXGV-KGLIPLIRSA-N 2 2 291.395 0.993 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NCCOc1ccccc1 ZINC000129088733 350205851 /nfs/dbraw/zinc/20/58/51/350205851.db2.gz SURNVNVNPNTXGV-KGLIPLIRSA-N 2 2 291.395 0.993 20 0 CCADLP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129126346 350206772 /nfs/dbraw/zinc/20/67/72/350206772.db2.gz QAJAPCROMGQPTN-UONOGXRCSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129126346 350206774 /nfs/dbraw/zinc/20/67/74/350206774.db2.gz QAJAPCROMGQPTN-UONOGXRCSA-N 2 2 297.443 0.944 20 0 CCADLP CC[N@H+](CC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)C1CC1 ZINC000130644023 350243448 /nfs/dbraw/zinc/24/34/48/350243448.db2.gz YVEDWOBHQOTFSO-OAHLLOKOSA-N 2 2 297.443 0.944 20 0 CCADLP CC[N@@H+](CC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)C1CC1 ZINC000130644023 350243451 /nfs/dbraw/zinc/24/34/51/350243451.db2.gz YVEDWOBHQOTFSO-OAHLLOKOSA-N 2 2 297.443 0.944 20 0 CCADLP CCOC[C@@H](O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131663485 350281854 /nfs/dbraw/zinc/28/18/54/350281854.db2.gz RDJMMRXBKOPZFN-JSGCOSHPSA-N 2 2 266.341 0.932 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)no1 ZINC000131735723 350285006 /nfs/dbraw/zinc/28/50/06/350285006.db2.gz TZRCMEDHASKFCV-WPRPVWTQSA-N 2 2 252.318 0.591 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)no1 ZINC000131735723 350285009 /nfs/dbraw/zinc/28/50/09/350285009.db2.gz TZRCMEDHASKFCV-WPRPVWTQSA-N 2 2 252.318 0.591 20 0 CCADLP C[C@H](C[NH+](C)C)[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC000132862942 350318351 /nfs/dbraw/zinc/31/83/51/350318351.db2.gz NBBMMGRJLSUYSJ-LLVKDONJSA-N 2 2 256.394 0.672 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCC[NH+]1CCCC1 ZINC000133440526 350335980 /nfs/dbraw/zinc/33/59/80/350335980.db2.gz FHHTVEHDBMUVKW-ZIAGYGMSSA-N 3 2 255.406 0.829 20 0 CCADLP CCN1CCC[C@H]([NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)C1 ZINC000133882666 350347211 /nfs/dbraw/zinc/34/72/11/350347211.db2.gz OGWRNMAMDUKLFS-MELADBBJSA-N 2 2 255.406 0.827 20 0 CCADLP C[NH+](C)CCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000133937831 350349087 /nfs/dbraw/zinc/34/90/87/350349087.db2.gz FEOZJQZNDZSGLT-LBPRGKRZSA-N 2 2 277.372 0.521 20 0 CCADLP COCCCNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000136084963 350414298 /nfs/dbraw/zinc/41/42/98/350414298.db2.gz GIHPZRXNNWHXAK-KGLIPLIRSA-N 2 2 294.399 0.919 20 0 CCADLP COCCCNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000136084963 350414301 /nfs/dbraw/zinc/41/43/01/350414301.db2.gz GIHPZRXNNWHXAK-KGLIPLIRSA-N 2 2 294.399 0.919 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000137085476 350432578 /nfs/dbraw/zinc/43/25/78/350432578.db2.gz LZZXLAXGMHNZRR-UHFFFAOYSA-N 2 2 297.443 0.899 20 0 CCADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000106289911 186107265 /nfs/dbraw/zinc/10/72/65/186107265.db2.gz MKRZROSKOSXNSE-CYBMUJFWSA-N 2 2 291.399 0.159 20 0 CCADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCc1ccccc1 ZINC000107854692 186195530 /nfs/dbraw/zinc/19/55/30/186195530.db2.gz DIRUDBYYTUICAD-OKILXGFUSA-N 2 2 259.353 0.454 20 0 CCADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCc1ccccc1 ZINC000107854692 186195531 /nfs/dbraw/zinc/19/55/31/186195531.db2.gz DIRUDBYYTUICAD-OKILXGFUSA-N 2 2 259.353 0.454 20 0 CCADLP C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577474 186179577 /nfs/dbraw/zinc/17/95/77/186179577.db2.gz IGOVYZXOOCNMGB-YIYPIFLZSA-N 2 2 265.401 0.833 20 0 CCADLP C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577474 186179578 /nfs/dbraw/zinc/17/95/78/186179578.db2.gz IGOVYZXOOCNMGB-YIYPIFLZSA-N 2 2 265.401 0.833 20 0 CCADLP C[C@@H]1C[C@@H](C)C[NH+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000152607739 350535327 /nfs/dbraw/zinc/53/53/27/350535327.db2.gz STMLZZLLCYVMJS-CHWSQXEVSA-N 2 2 253.390 0.738 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CC(=O)N(C)C)CC1 ZINC000154029096 350572639 /nfs/dbraw/zinc/57/26/39/350572639.db2.gz MKIRPOSVQBRVCY-GASCZTMLSA-N 2 2 296.459 0.565 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CC(=O)N(C)C)CC1 ZINC000154029096 350572644 /nfs/dbraw/zinc/57/26/44/350572644.db2.gz MKIRPOSVQBRVCY-GASCZTMLSA-N 2 2 296.459 0.565 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCSC1 ZINC000152881078 350544757 /nfs/dbraw/zinc/54/47/57/350544757.db2.gz KHJSJBWIUAQVHJ-NSHDSACASA-N 2 2 257.403 0.198 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCSC1 ZINC000152881078 350544760 /nfs/dbraw/zinc/54/47/60/350544760.db2.gz KHJSJBWIUAQVHJ-NSHDSACASA-N 2 2 257.403 0.198 20 0 CCADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc([S@@](C)=O)cc1 ZINC000154331783 350583709 /nfs/dbraw/zinc/58/37/09/350583709.db2.gz ZPZFJSQAYIOIMK-BLWXERESSA-N 2 2 284.425 0.997 20 0 CCADLP O=C(C[NH2+]C1CC1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000154648085 350594897 /nfs/dbraw/zinc/59/48/97/350594897.db2.gz AEPUQZICGTVVBY-AWEZNQCLSA-N 2 2 281.400 0.452 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCCCO1 ZINC000157381194 350644586 /nfs/dbraw/zinc/64/45/86/350644586.db2.gz SGLPDCFKFAVKQV-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCCCO1 ZINC000157381194 350644589 /nfs/dbraw/zinc/64/45/89/350644589.db2.gz SGLPDCFKFAVKQV-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000159889395 350691505 /nfs/dbraw/zinc/69/15/05/350691505.db2.gz PQASESRYVPIOAX-HRDYMLBCSA-N 2 2 267.295 0.723 20 0 CCADLP C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000159889395 350691509 /nfs/dbraw/zinc/69/15/09/350691509.db2.gz PQASESRYVPIOAX-HRDYMLBCSA-N 2 2 267.295 0.723 20 0 CCADLP C[C@@H]([NH3+])C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000163868246 350774482 /nfs/dbraw/zinc/77/44/82/350774482.db2.gz JCZUJNOJXNDPHM-OCCSQVGLSA-N 2 2 277.368 0.523 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000164235548 350776677 /nfs/dbraw/zinc/77/66/77/350776677.db2.gz IROFIZIJOWYRIE-NSHDSACASA-N 2 2 260.341 0.849 20 0 CCADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000165520331 350790860 /nfs/dbraw/zinc/79/08/60/350790860.db2.gz DLEMYDVGMGPEGJ-ONGXEEELSA-N 2 2 268.386 0.606 20 0 CCADLP C[C@H](CNC(=O)C[C@@H]1CCC[NH2+]1)Cn1cc[nH+]c1 ZINC000165588005 350791962 /nfs/dbraw/zinc/79/19/62/350791962.db2.gz JNHIJELJEUZSGO-NEPJUHHUSA-N 2 2 250.346 0.778 20 0 CCADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)[C@H]1CCC[NH2+]C1 ZINC000165680223 350792603 /nfs/dbraw/zinc/79/26/03/350792603.db2.gz JRHJSYHIZBTBEO-ZDUSSCGKSA-N 2 2 285.351 0.883 20 0 CCADLP CCOC(=O)C[C@@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC000166949233 350803813 /nfs/dbraw/zinc/80/38/13/350803813.db2.gz UKGIAUPNMPYYBE-GFCCVEGCSA-N 2 2 258.362 0.327 20 0 CCADLP C[NH2+]CC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000167148458 350806402 /nfs/dbraw/zinc/80/64/02/350806402.db2.gz QHKLPAPJCPATLC-UHFFFAOYSA-N 2 2 263.341 0.256 20 0 CCADLP C[NH+](C)Cc1cc(CNC(=O)[C@H]2COCC[NH2+]2)ccc1F ZINC000168814084 350831840 /nfs/dbraw/zinc/83/18/40/350831840.db2.gz QUIOHZDMTKIPNY-CQSZACIVSA-N 2 2 295.358 0.492 20 0 CCADLP CCNC(=O)C[N@@H+]1CCCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000170639958 350850307 /nfs/dbraw/zinc/85/03/07/350850307.db2.gz AVIYGYDANWKISB-UHFFFAOYSA-N 2 2 291.399 0.742 20 0 CCADLP CCNC(=O)C[N@H+]1CCCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000170639958 350850310 /nfs/dbraw/zinc/85/03/10/350850310.db2.gz AVIYGYDANWKISB-UHFFFAOYSA-N 2 2 291.399 0.742 20 0 CCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)NCCn1cc[nH+]c1 ZINC000170740403 350856356 /nfs/dbraw/zinc/85/63/56/350856356.db2.gz QIZYQRYNVLRJMC-GFCCVEGCSA-N 2 2 267.377 0.913 20 0 CCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCCn1cc[nH+]c1 ZINC000170740403 350856357 /nfs/dbraw/zinc/85/63/57/350856357.db2.gz QIZYQRYNVLRJMC-GFCCVEGCSA-N 2 2 267.377 0.913 20 0 CCADLP Cc1cc(NC(=O)[C@H](C)N2CC[NH+](C)CC2)cc[nH+]1 ZINC000171239515 350895331 /nfs/dbraw/zinc/89/53/31/350895331.db2.gz HIYXFHRBBZOABE-LBPRGKRZSA-N 2 2 262.357 0.964 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC([C@H](C)O)CC2)CC1 ZINC000171969980 350947761 /nfs/dbraw/zinc/94/77/61/350947761.db2.gz GFYKLLSMTZQWFM-KBPBESRZSA-N 2 2 297.443 0.632 20 0 CCADLP Cn1ncc2c1nc[nH+]c2N1CC[C@H](C[NH+](C)C)C1 ZINC000172068819 350956223 /nfs/dbraw/zinc/95/62/23/350956223.db2.gz ZZOVMDGZPQZENO-SNVBAGLBSA-N 2 2 260.345 0.751 20 0 CCADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NCC2CC2)C1 ZINC000173889713 351060375 /nfs/dbraw/zinc/06/03/75/351060375.db2.gz SRGBPFVQLBGDEV-CYBMUJFWSA-N 2 2 253.390 0.786 20 0 CCADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NCC2CC2)C1 ZINC000173889713 351060381 /nfs/dbraw/zinc/06/03/81/351060381.db2.gz SRGBPFVQLBGDEV-CYBMUJFWSA-N 2 2 253.390 0.786 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCC2CC2)C1 ZINC000173889713 351060385 /nfs/dbraw/zinc/06/03/85/351060385.db2.gz SRGBPFVQLBGDEV-CYBMUJFWSA-N 2 2 253.390 0.786 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC000173889713 351060391 /nfs/dbraw/zinc/06/03/91/351060391.db2.gz SRGBPFVQLBGDEV-CYBMUJFWSA-N 2 2 253.390 0.786 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)c1ccco1 ZINC000174412067 351084497 /nfs/dbraw/zinc/08/44/97/351084497.db2.gz PXQYNSZEIFTZOX-AAEUAGOBSA-N 2 2 281.356 0.329 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccco1 ZINC000174412067 351084498 /nfs/dbraw/zinc/08/44/98/351084498.db2.gz PXQYNSZEIFTZOX-AAEUAGOBSA-N 2 2 281.356 0.329 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](O)CC2)CC1 ZINC000339781880 215338582 /nfs/dbraw/zinc/33/85/82/215338582.db2.gz FLBBTKRKBNPELK-KGLIPLIRSA-N 2 2 283.416 0.386 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](O)CC2)CC1 ZINC000339781880 215338583 /nfs/dbraw/zinc/33/85/83/215338583.db2.gz FLBBTKRKBNPELK-KGLIPLIRSA-N 2 2 283.416 0.386 20 0 CCADLP CC[NH+](CC)CCCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000339780329 215339208 /nfs/dbraw/zinc/33/92/08/215339208.db2.gz VOCZOERIYRIPGD-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000178744116 351243177 /nfs/dbraw/zinc/24/31/77/351243177.db2.gz LEWLAFQKBSCKGO-NEPJUHHUSA-N 2 2 269.389 0.341 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000178744116 351243179 /nfs/dbraw/zinc/24/31/79/351243179.db2.gz LEWLAFQKBSCKGO-NEPJUHHUSA-N 2 2 269.389 0.341 20 0 CCADLP OC(C[NH+]1CCSCC1)C[NH+]1CCSCC1 ZINC000181782118 351336638 /nfs/dbraw/zinc/33/66/38/351336638.db2.gz ZXXLVNSLGYQVER-UHFFFAOYSA-N 2 2 262.444 0.445 20 0 CCADLP CC(C)C[C@@H](CO)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000185368182 351444433 /nfs/dbraw/zinc/44/44/33/351444433.db2.gz YLBDERSLIHTBPY-ZDUSSCGKSA-N 2 2 271.405 0.099 20 0 CCADLP CC(C)C[C@@H](CO)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000185368182 351444436 /nfs/dbraw/zinc/44/44/36/351444436.db2.gz YLBDERSLIHTBPY-ZDUSSCGKSA-N 2 2 271.405 0.099 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC=C(COC)CC2)CC1 ZINC000185853729 351461598 /nfs/dbraw/zinc/46/15/98/351461598.db2.gz WHFOCIOISAATSY-CQSZACIVSA-N 2 2 295.427 0.818 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC=C(COC)CC2)CC1 ZINC000185853729 351461599 /nfs/dbraw/zinc/46/15/99/351461599.db2.gz WHFOCIOISAATSY-CQSZACIVSA-N 2 2 295.427 0.818 20 0 CCADLP CC(C)(C)CC[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000188269056 351584673 /nfs/dbraw/zinc/58/46/73/351584673.db2.gz AMRMNWHPORZUCX-CQSZACIVSA-N 2 2 297.443 0.945 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)NCCCNc1cccc[nH+]1 ZINC000291945445 198112957 /nfs/dbraw/zinc/11/29/57/198112957.db2.gz DGMFNJNJWPFDDT-GFCCVEGCSA-N 2 2 250.346 0.983 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000226043084 352018762 /nfs/dbraw/zinc/01/87/62/352018762.db2.gz CKIOJRWXTLCWEG-RWMBFGLXSA-N 2 2 260.378 0.083 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000226043084 352018764 /nfs/dbraw/zinc/01/87/64/352018764.db2.gz CKIOJRWXTLCWEG-RWMBFGLXSA-N 2 2 260.378 0.083 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231671145 352131158 /nfs/dbraw/zinc/13/11/58/352131158.db2.gz GQJUCWVCDUWUHI-LLVKDONJSA-N 2 2 270.377 0.296 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000231671145 352131160 /nfs/dbraw/zinc/13/11/60/352131160.db2.gz GQJUCWVCDUWUHI-LLVKDONJSA-N 2 2 270.377 0.296 20 0 CCADLP C[N@H+](CC(=O)NC(=O)NC(C)(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000231670501 352131711 /nfs/dbraw/zinc/13/17/11/352131711.db2.gz WLKANCRBUZSAEC-LLVKDONJSA-N 2 2 284.404 0.685 20 0 CCADLP C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000231670501 352131712 /nfs/dbraw/zinc/13/17/12/352131712.db2.gz WLKANCRBUZSAEC-LLVKDONJSA-N 2 2 284.404 0.685 20 0 CCADLP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C(=O)NC(C)(C)C ZINC000228963119 352086133 /nfs/dbraw/zinc/08/61/33/352086133.db2.gz DKMGEQANAGQQOG-SNVBAGLBSA-N 2 2 281.404 0.879 20 0 CCADLP CCOC(=O)C1CCC(O)(C[NH2+]CCn2cc[nH+]c2)CC1 ZINC000233658134 352151341 /nfs/dbraw/zinc/15/13/41/352151341.db2.gz PDRNGIDAOSDWMQ-UHFFFAOYSA-N 2 2 295.383 0.957 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000235698424 352186894 /nfs/dbraw/zinc/18/68/94/352186894.db2.gz KCWQURKFAJZPIP-TUAOUCFPSA-N 2 2 250.346 0.776 20 0 CCADLP CC(C)([NH3+])CNC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000236636935 352201571 /nfs/dbraw/zinc/20/15/71/352201571.db2.gz GEFZLQJHDKWALW-UHFFFAOYSA-N 2 2 259.313 0.734 20 0 CCADLP CCCC[C@@H]([NH3+])C(=O)N(C)CC[NH+]1CCOCC1 ZINC000236690765 352206047 /nfs/dbraw/zinc/20/60/47/352206047.db2.gz RQJMQAUOCXKWIQ-GFCCVEGCSA-N 2 2 257.378 0.295 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000603435724 363132515 /nfs/dbraw/zinc/13/25/15/363132515.db2.gz YUJHKABDKKSXPQ-BJDJZHNGSA-N 2 2 284.404 0.668 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000603435724 363132519 /nfs/dbraw/zinc/13/25/19/363132519.db2.gz YUJHKABDKKSXPQ-BJDJZHNGSA-N 2 2 284.404 0.668 20 0 CCADLP O=C(CN1CC[NH2+]CC1=O)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000238121558 352298625 /nfs/dbraw/zinc/29/86/25/352298625.db2.gz SFKAWJJSEOZFEK-UHFFFAOYSA-N 2 2 299.334 0.447 20 0 CCADLP C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655417219 412564003 /nfs/dbraw/zinc/56/40/03/412564003.db2.gz GMRCJOPHUDKHIY-NWDGAFQWSA-N 2 2 262.357 0.656 20 0 CCADLP CC[N@H+](C)CCNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000246413005 352365342 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CCADLP C[C@H](CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)[N@@H+](C)C1CC1 ZINC000263303519 352593242 /nfs/dbraw/zinc/59/32/42/352593242.db2.gz XMFKAFARSRWXQQ-SCZZXKLOSA-N 2 2 261.316 0.583 20 0 CCADLP O=S1(=O)CC[C@H]([N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)C1 ZINC000261592896 352561924 /nfs/dbraw/zinc/56/19/24/352561924.db2.gz YVIPOOLNSLHFQW-AAEUAGOBSA-N 2 2 272.414 0.638 20 0 CCADLP O=S1(=O)CC[C@H]([N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)C1 ZINC000261592896 352561925 /nfs/dbraw/zinc/56/19/25/352561925.db2.gz YVIPOOLNSLHFQW-AAEUAGOBSA-N 2 2 272.414 0.638 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CCOCC(F)F)C1 ZINC000262179725 352583928 /nfs/dbraw/zinc/58/39/28/352583928.db2.gz WKSILBMNODECIS-NSHDSACASA-N 2 2 291.342 0.164 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CCOCC(F)F)C1 ZINC000262179725 352583934 /nfs/dbraw/zinc/58/39/34/352583934.db2.gz WKSILBMNODECIS-NSHDSACASA-N 2 2 291.342 0.164 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000266335653 352697544 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C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H](C)C[NH2+]1 ZINC000655452398 412577561 /nfs/dbraw/zinc/57/75/61/412577561.db2.gz WIDATWSKDIOZDI-UTUOFQBUSA-N 2 2 262.357 0.654 20 0 CCADLP CN(C)[C@H](C(=O)NCC(C)(C)C[NH+](C)C)c1c[nH+]cn1C ZINC000280773177 353382256 /nfs/dbraw/zinc/38/22/56/353382256.db2.gz NEXYVJJTJUQIRQ-ZDUSSCGKSA-N 2 2 295.431 0.727 20 0 CCADLP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000604790513 363221497 /nfs/dbraw/zinc/22/14/97/363221497.db2.gz BMVFXAMZQAFEJO-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000604790513 363221502 /nfs/dbraw/zinc/22/15/02/363221502.db2.gz BMVFXAMZQAFEJO-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000604790513 363221506 /nfs/dbraw/zinc/22/15/06/363221506.db2.gz BMVFXAMZQAFEJO-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000604790513 363221510 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CC[NH+]1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000290082219 353706731 /nfs/dbraw/zinc/70/67/31/353706731.db2.gz VDMAWCWONHBGMC-CYBMUJFWSA-N 2 2 276.384 0.918 20 0 CCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000655463006 412582554 /nfs/dbraw/zinc/58/25/54/412582554.db2.gz BITWJUIBXQCQLT-JHJVBQTASA-N 2 2 274.368 0.656 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1[nH+]ccn1C ZINC000290158865 353711924 /nfs/dbraw/zinc/71/19/24/353711924.db2.gz LULQSCUVONQMFN-JQWIXIFHSA-N 2 2 250.346 0.670 20 0 CCADLP CO[C@H](C[NH3+])C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000290210311 353715167 /nfs/dbraw/zinc/71/51/67/353715167.db2.gz RZSRZBHRQJMJTC-LLVKDONJSA-N 3 2 261.285 0.180 20 0 CCADLP CC[N@@H+]1CC[C@H]2OCCN(C(=O)Cc3[nH]c[nH+]c3C)[C@H]2C1 ZINC000293794278 353840101 /nfs/dbraw/zinc/84/01/01/353840101.db2.gz CXBOJVXSEBHATI-UONOGXRCSA-N 2 2 292.383 0.582 20 0 CCADLP CC[N@H+]1CC[C@H]2OCCN(C(=O)Cc3[nH]c[nH+]c3C)[C@H]2C1 ZINC000293794278 353840104 /nfs/dbraw/zinc/84/01/04/353840104.db2.gz CXBOJVXSEBHATI-UONOGXRCSA-N 2 2 292.383 0.582 20 0 CCADLP Nc1[nH+]cnc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1Cl ZINC000300424045 354065004 /nfs/dbraw/zinc/06/50/04/354065004.db2.gz BKWFZJPKCBBFDC-IUCAKERBSA-N 2 2 283.763 0.987 20 0 CCADLP Nc1[nH+]cnc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1Cl ZINC000300424045 354065008 /nfs/dbraw/zinc/06/50/08/354065008.db2.gz BKWFZJPKCBBFDC-IUCAKERBSA-N 2 2 283.763 0.987 20 0 CCADLP Cc1nc(NC[C@@H]2CC[N@@H+](C(C)C)C2)nc(N)[nH+]1 ZINC000302575456 354082454 /nfs/dbraw/zinc/08/24/54/354082454.db2.gz AYMBTFRHOPXMNE-JTQLQIEISA-N 2 2 250.350 0.904 20 0 CCADLP Cc1nc(NC[C@@H]2CC[N@H+](C(C)C)C2)nc(N)[nH+]1 ZINC000302575456 354082458 /nfs/dbraw/zinc/08/24/58/354082458.db2.gz AYMBTFRHOPXMNE-JTQLQIEISA-N 2 2 250.350 0.904 20 0 CCADLP Cc1nc(N)nc(NC[C@@H]2CC[N@@H+](C(C)C)C2)[nH+]1 ZINC000302575456 354082461 /nfs/dbraw/zinc/08/24/61/354082461.db2.gz AYMBTFRHOPXMNE-JTQLQIEISA-N 2 2 250.350 0.904 20 0 CCADLP Cc1nc(N)nc(NC[C@@H]2CC[N@H+](C(C)C)C2)[nH+]1 ZINC000302575456 354082463 /nfs/dbraw/zinc/08/24/63/354082463.db2.gz AYMBTFRHOPXMNE-JTQLQIEISA-N 2 2 250.350 0.904 20 0 CCADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc2c(c1)OCO2 ZINC000305130481 354132225 /nfs/dbraw/zinc/13/22/25/354132225.db2.gz MVLNFUZJFFRGPS-JQWIXIFHSA-N 2 2 266.341 0.988 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)C2(O)CCCC2)CC1 ZINC000304695039 354120164 /nfs/dbraw/zinc/12/01/64/354120164.db2.gz ICOLGTIUHJUSRO-UHFFFAOYSA-N 2 2 283.416 0.434 20 0 CCADLP CCN(CCO)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000305675572 354150644 /nfs/dbraw/zinc/15/06/44/354150644.db2.gz JDJWYTBBQYVTRL-UHFFFAOYSA-N 2 2 286.420 0.036 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](CCO)c2ccccc2)CC1 ZINC000305786137 354162455 /nfs/dbraw/zinc/16/24/55/354162455.db2.gz XZGVIGRVIJEHSU-HNNXBMFYSA-N 2 2 291.395 0.474 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@H](O)CC(F)(F)F ZINC000307947442 354181349 /nfs/dbraw/zinc/18/13/49/354181349.db2.gz NFOIWMPYUSLODF-VHSXEESVSA-N 2 2 269.311 0.135 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@H](O)CC(F)(F)F ZINC000307947442 354181350 /nfs/dbraw/zinc/18/13/50/354181350.db2.gz NFOIWMPYUSLODF-VHSXEESVSA-N 2 2 269.311 0.135 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC([C@@H](C)O)CC1 ZINC000311431201 354200208 /nfs/dbraw/zinc/20/02/08/354200208.db2.gz CUVTULQQWDTJET-TZMCWYRMSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC([C@@H](C)O)CC1 ZINC000311431201 354200210 /nfs/dbraw/zinc/20/02/10/354200210.db2.gz CUVTULQQWDTJET-TZMCWYRMSA-N 2 2 274.405 0.018 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNc1cc(-n2cc[nH+]c2)ncn1 ZINC000607145021 363339862 /nfs/dbraw/zinc/33/98/62/363339862.db2.gz PUQHIRVDQHLRRV-LBPRGKRZSA-N 2 2 288.355 0.795 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNc1cc(-n2cc[nH+]c2)ncn1 ZINC000607145021 363339863 /nfs/dbraw/zinc/33/98/63/363339863.db2.gz PUQHIRVDQHLRRV-LBPRGKRZSA-N 2 2 288.355 0.795 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCc2ccccc2F)[C@@H](C[NH3+])C1 ZINC000557137894 291023540 /nfs/dbraw/zinc/02/35/40/291023540.db2.gz JZVNGJSNBXFZOC-ZDUSSCGKSA-N 2 2 294.374 0.653 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCc2ccccc2F)[C@@H](C[NH3+])C1 ZINC000557137894 291023542 /nfs/dbraw/zinc/02/35/42/291023542.db2.gz JZVNGJSNBXFZOC-ZDUSSCGKSA-N 2 2 294.374 0.653 20 0 CCADLP O=C(NCCC[NH2+]C1CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000655483996 412587912 /nfs/dbraw/zinc/58/79/12/412587912.db2.gz PNULRAMHUNAONV-NSHDSACASA-N 2 2 262.357 0.704 20 0 CCADLP Cc1nc(NCC[N@H+]2CCC[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000330194180 354305790 /nfs/dbraw/zinc/30/57/90/354305790.db2.gz OPIBTHHELDZKFM-LLVKDONJSA-N 2 2 278.404 0.812 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655485636 412588967 /nfs/dbraw/zinc/58/89/67/412588967.db2.gz PEBKSANLJPJZPW-GRYCIOLGSA-N 2 2 262.357 0.784 20 0 CCADLP C[NH2+][C@@H](C)C(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000655483137 412589054 /nfs/dbraw/zinc/58/90/54/412589054.db2.gz SZMIJCHRYJCMED-NSHDSACASA-N 2 2 260.341 0.909 20 0 CCADLP Cc1cccn2c(NC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)c[nH+]c12 ZINC000619015394 366157223 /nfs/dbraw/zinc/15/72/23/366157223.db2.gz ZMAXNIQTPJEPGJ-ZDUSSCGKSA-N 2 2 299.378 0.971 20 0 CCADLP Cc1cccn2c(NC(=O)[C@@H]3C[N@H+]4CCN3CCC4)c[nH+]c12 ZINC000619015394 366157229 /nfs/dbraw/zinc/15/72/29/366157229.db2.gz ZMAXNIQTPJEPGJ-ZDUSSCGKSA-N 2 2 299.378 0.971 20 0 CCADLP CCCN(C(=O)[C@@H](C)[NH+]1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000429103457 283014929 /nfs/dbraw/zinc/01/49/29/283014929.db2.gz BTPGQQDYMXHKPI-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000330539795 354400540 /nfs/dbraw/zinc/40/05/40/354400540.db2.gz RLZQKFCNBOXJAG-VXGBXAGGSA-N 2 2 264.373 0.902 20 0 CCADLP CC[C@H](C(N)=O)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000330829562 354427680 /nfs/dbraw/zinc/42/76/80/354427680.db2.gz GRWQPPMOSSBXEE-LLVKDONJSA-N 2 2 292.387 0.978 20 0 CCADLP Cn1cc([C@H](CO)[NH2+]CC[C@H]2CCC[N@@H+]2C)cn1 ZINC000331146329 354466124 /nfs/dbraw/zinc/46/61/24/354466124.db2.gz HFLPZQLZLVSISE-OLZOCXBDSA-N 2 2 252.362 0.527 20 0 CCADLP Cn1cc([C@H](CO)[NH2+]CC[C@H]2CCC[N@H+]2C)cn1 ZINC000331146329 354466127 /nfs/dbraw/zinc/46/61/27/354466127.db2.gz HFLPZQLZLVSISE-OLZOCXBDSA-N 2 2 252.362 0.527 20 0 CCADLP CCCN(C(=O)[C@H](C)[NH+]1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000429103459 283029250 /nfs/dbraw/zinc/02/92/50/283029250.db2.gz BTPGQQDYMXHKPI-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2ccncc2)C[C@@H]1C[NH3+] ZINC000422625464 234840835 /nfs/dbraw/zinc/84/08/35/234840835.db2.gz BTFWWMNIHPGYRC-AGIUHOORSA-N 2 2 276.384 0.747 20 0 CCADLP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2ccncc2)C[C@@H]1C[NH3+] ZINC000422625464 234840837 /nfs/dbraw/zinc/84/08/37/234840837.db2.gz BTFWWMNIHPGYRC-AGIUHOORSA-N 2 2 276.384 0.747 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC[C@H](OC2CCC2)C1 ZINC000655495621 412597089 /nfs/dbraw/zinc/59/70/89/412597089.db2.gz RIHONFMRNWOLPB-UONOGXRCSA-N 2 2 283.416 0.826 20 0 CCADLP CN(C)S(=O)(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000423160632 234940266 /nfs/dbraw/zinc/94/02/66/234940266.db2.gz ZYNKWHVEUPMTFI-UONOGXRCSA-N 2 2 297.424 0.906 20 0 CCADLP O=C(NC[C@H]1CC[NH2+]C1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000423575434 235009190 /nfs/dbraw/zinc/00/91/90/235009190.db2.gz QDIIPGVHYWQCIU-GXTWGEPZSA-N 2 2 281.400 0.356 20 0 CCADLP O=C(NC[C@H]1CC[NH2+]C1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000423575434 235009194 /nfs/dbraw/zinc/00/91/94/235009194.db2.gz QDIIPGVHYWQCIU-GXTWGEPZSA-N 2 2 281.400 0.356 20 0 CCADLP C[C@@H](CCC[NH3+])NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000423697317 235037398 /nfs/dbraw/zinc/03/73/98/235037398.db2.gz ZDJKMQSVHFDQBC-GXTWGEPZSA-N 2 2 283.416 0.873 20 0 CCADLP C[C@@H](CCC[NH3+])NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000423697317 235037401 /nfs/dbraw/zinc/03/74/01/235037401.db2.gz ZDJKMQSVHFDQBC-GXTWGEPZSA-N 2 2 283.416 0.873 20 0 CCADLP [NH3+]CC1(CC(=O)N2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000423733346 235046534 /nfs/dbraw/zinc/04/65/34/235046534.db2.gz PSNDVTUYKKCBPH-UHFFFAOYSA-N 2 2 288.395 0.855 20 0 CCADLP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000423680562 235033651 /nfs/dbraw/zinc/03/36/51/235033651.db2.gz NJIGQPZTRVDRAE-GMXVVIOVSA-N 2 2 269.389 0.339 20 0 CCADLP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000423680562 235033654 /nfs/dbraw/zinc/03/36/54/235033654.db2.gz NJIGQPZTRVDRAE-GMXVVIOVSA-N 2 2 269.389 0.339 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000336181040 355111493 /nfs/dbraw/zinc/11/14/93/355111493.db2.gz CPRJSGSYWZGIOF-CQSZACIVSA-N 2 2 262.357 0.794 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000336181040 355111495 /nfs/dbraw/zinc/11/14/95/355111495.db2.gz CPRJSGSYWZGIOF-CQSZACIVSA-N 2 2 262.357 0.794 20 0 CCADLP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000336797165 355169439 /nfs/dbraw/zinc/16/94/39/355169439.db2.gz ZDYOJWQBZPSSPM-RWMBFGLXSA-N 2 2 253.390 0.975 20 0 CCADLP CCCCNC(=O)[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000336797165 355169443 /nfs/dbraw/zinc/16/94/43/355169443.db2.gz ZDYOJWQBZPSSPM-RWMBFGLXSA-N 2 2 253.390 0.975 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCSC[C@H]1CCO)C1CC1 ZINC000336794013 355167091 /nfs/dbraw/zinc/16/70/91/355167091.db2.gz ZIEKZNXZEYCMPH-CHWSQXEVSA-N 2 2 274.430 0.241 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCSC[C@H]1CCO)C1CC1 ZINC000336794013 355167095 /nfs/dbraw/zinc/16/70/95/355167095.db2.gz ZIEKZNXZEYCMPH-CHWSQXEVSA-N 2 2 274.430 0.241 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCSC[C@H]1CCO)C1CC1 ZINC000336794013 355167100 /nfs/dbraw/zinc/16/71/00/355167100.db2.gz ZIEKZNXZEYCMPH-CHWSQXEVSA-N 2 2 274.430 0.241 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCSC[C@H]1CCO)C1CC1 ZINC000336794013 355167103 /nfs/dbraw/zinc/16/71/03/355167103.db2.gz ZIEKZNXZEYCMPH-CHWSQXEVSA-N 2 2 274.430 0.241 20 0 CCADLP C[C@@H](O)CC[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000336706710 355143576 /nfs/dbraw/zinc/14/35/76/355143576.db2.gz WOSAYVKBSRAMDH-GFCCVEGCSA-N 2 2 252.362 0.309 20 0 CCADLP C(C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)N1CCOCC1 ZINC000336834558 355207303 /nfs/dbraw/zinc/20/73/03/355207303.db2.gz GTOOWDBFLZSJKL-INIZCTEOSA-N 2 2 297.443 0.363 20 0 CCADLP C(C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)N1CCOCC1 ZINC000336834558 355207304 /nfs/dbraw/zinc/20/73/04/355207304.db2.gz GTOOWDBFLZSJKL-INIZCTEOSA-N 2 2 297.443 0.363 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[NH+]1CCSCC1 ZINC000558531630 291059105 /nfs/dbraw/zinc/05/91/05/291059105.db2.gz ZGEVUHQHFNXXGH-UHFFFAOYSA-N 2 2 268.386 0.128 20 0 CCADLP CN(C)c1nc(N2CC[NH+](CC3(C)COC3)CC2)cc[nH+]1 ZINC000336840344 355210587 /nfs/dbraw/zinc/21/05/87/355210587.db2.gz WRAAJTHZCGBHJS-UHFFFAOYSA-N 2 2 291.399 0.701 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@H](N2CCCC2=O)C1)C1CC1 ZINC000336839156 355210839 /nfs/dbraw/zinc/21/08/39/355210839.db2.gz OBGPBRODVUJJGE-UONOGXRCSA-N 2 2 281.400 0.138 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@H](N2CCCC2=O)C1)C1CC1 ZINC000336839156 355210842 /nfs/dbraw/zinc/21/08/42/355210842.db2.gz OBGPBRODVUJJGE-UONOGXRCSA-N 2 2 281.400 0.138 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@H](N2CCCC2=O)C1)C1CC1 ZINC000336839156 355210844 /nfs/dbraw/zinc/21/08/44/355210844.db2.gz OBGPBRODVUJJGE-UONOGXRCSA-N 2 2 281.400 0.138 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@H](N2CCCC2=O)C1)C1CC1 ZINC000336839156 355210846 /nfs/dbraw/zinc/21/08/46/355210846.db2.gz OBGPBRODVUJJGE-UONOGXRCSA-N 2 2 281.400 0.138 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+](C[C@H]3COCCO3)CC2)c1 ZINC000336840607 355212504 /nfs/dbraw/zinc/21/25/04/355212504.db2.gz XDEQDOSSLSFPQD-AWEZNQCLSA-N 2 2 293.367 0.628 20 0 CCADLP Cn1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)nn1 ZINC000336845336 355214577 /nfs/dbraw/zinc/21/45/77/355214577.db2.gz KYPXAUJVITZPSO-UHFFFAOYSA-N 2 2 293.415 0.892 20 0 CCADLP OC1(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CCCC1 ZINC000336804951 355181721 /nfs/dbraw/zinc/18/17/21/355181721.db2.gz OLSFKLFEFLWBSF-AWEZNQCLSA-N 2 2 268.401 0.946 20 0 CCADLP OC1(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CCCC1 ZINC000336804951 355181723 /nfs/dbraw/zinc/18/17/23/355181723.db2.gz OLSFKLFEFLWBSF-AWEZNQCLSA-N 2 2 268.401 0.946 20 0 CCADLP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000336845648 355214782 /nfs/dbraw/zinc/21/47/82/355214782.db2.gz CHMBRJXARNINPV-KKUMJFAQSA-N 2 2 296.459 0.659 20 0 CCADLP C[C@H](O)CCC[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000336816129 355190128 /nfs/dbraw/zinc/19/01/28/355190128.db2.gz KPBXDMSAHCNHBI-ZDUSSCGKSA-N 2 2 266.389 0.699 20 0 CCADLP CC1CCC(N(C)C(=O)C[N@H+](C)C[C@H](O)C[NH3+])CC1 ZINC000336816325 355190505 /nfs/dbraw/zinc/19/05/05/355190505.db2.gz LNQVZPPLMYWPEM-WXRRBKDZSA-N 2 2 271.405 0.275 20 0 CCADLP CC1CCC(N(C)C(=O)C[N@@H+](C)C[C@H](O)C[NH3+])CC1 ZINC000336816325 355190509 /nfs/dbraw/zinc/19/05/09/355190509.db2.gz LNQVZPPLMYWPEM-WXRRBKDZSA-N 2 2 271.405 0.275 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cnns3)C2)CC1 ZINC000336818249 355191978 /nfs/dbraw/zinc/19/19/78/355191978.db2.gz URNIVCWESUVDHK-GFCCVEGCSA-N 2 2 281.429 0.750 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnns3)C2)CC1 ZINC000336818249 355191979 /nfs/dbraw/zinc/19/19/79/355191979.db2.gz URNIVCWESUVDHK-GFCCVEGCSA-N 2 2 281.429 0.750 20 0 CCADLP c1cc(O[C@H]2CC[N@@H+](CCN3CCOCC3)C2)cc[nH+]1 ZINC000336825761 355199990 /nfs/dbraw/zinc/19/99/90/355199990.db2.gz ZNVWBEJPNIJUPO-HNNXBMFYSA-N 2 2 277.368 0.867 20 0 CCADLP c1cc(O[C@H]2CC[N@H+](CCN3CCOCC3)C2)cc[nH+]1 ZINC000336825761 355199994 /nfs/dbraw/zinc/19/99/94/355199994.db2.gz ZNVWBEJPNIJUPO-HNNXBMFYSA-N 2 2 277.368 0.867 20 0 CCADLP C[N@H+]1CC=C(CNC(=O)NCCn2cc[nH+]c2)CC1 ZINC000271846526 191365015 /nfs/dbraw/zinc/36/50/15/191365015.db2.gz VCGUZLVUFQFKIF-UHFFFAOYSA-N 2 2 263.345 0.444 20 0 CCADLP C[N@@H+]1CC=C(CNC(=O)NCCn2cc[nH+]c2)CC1 ZINC000271846526 191365017 /nfs/dbraw/zinc/36/50/17/191365017.db2.gz VCGUZLVUFQFKIF-UHFFFAOYSA-N 2 2 263.345 0.444 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424453189 235207472 /nfs/dbraw/zinc/20/74/72/235207472.db2.gz KCDAEOUZRATNJX-YNEHKIRRSA-N 2 2 284.404 0.276 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424453189 235207475 /nfs/dbraw/zinc/20/74/75/235207475.db2.gz KCDAEOUZRATNJX-YNEHKIRRSA-N 2 2 284.404 0.276 20 0 CCADLP C[C@H]1C[C@@H]([NH+](C)CCC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000338309391 355317834 /nfs/dbraw/zinc/31/78/34/355317834.db2.gz URCXPJNKBWZHJQ-GJZGRUSLSA-N 3 2 296.459 0.565 20 0 CCADLP C[C@H]1C[C@@H]([NH+](C)CCC(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000338309391 355317836 /nfs/dbraw/zinc/31/78/36/355317836.db2.gz URCXPJNKBWZHJQ-GJZGRUSLSA-N 3 2 296.459 0.565 20 0 CCADLP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)N2CC[NH+](C)CC2)CC[NH+]1C ZINC000338309391 355317838 /nfs/dbraw/zinc/31/78/38/355317838.db2.gz URCXPJNKBWZHJQ-GJZGRUSLSA-N 3 2 296.459 0.565 20 0 CCADLP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)N2CC[NH+](C)CC2)CC[NH+]1C ZINC000338309391 355317840 /nfs/dbraw/zinc/31/78/40/355317840.db2.gz URCXPJNKBWZHJQ-GJZGRUSLSA-N 3 2 296.459 0.565 20 0 CCADLP COC[C@H](O)C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000338792159 355420684 /nfs/dbraw/zinc/42/06/84/355420684.db2.gz MDELISXYAUCJJP-OAHLLOKOSA-N 2 2 279.384 0.643 20 0 CCADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)C[C@@H]1O ZINC000341039346 355591784 /nfs/dbraw/zinc/59/17/84/355591784.db2.gz NMWNTIIZSHFOIO-MJBXVCDLSA-N 2 2 283.416 0.242 20 0 CCADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)C[C@@H]1O ZINC000341039346 355591787 /nfs/dbraw/zinc/59/17/87/355591787.db2.gz NMWNTIIZSHFOIO-MJBXVCDLSA-N 2 2 283.416 0.242 20 0 CCADLP COC[C@@](C)(O)CC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425370989 235290480 /nfs/dbraw/zinc/29/04/80/235290480.db2.gz PFCZBJKHRVXYSA-ZDUSSCGKSA-N 2 2 270.377 0.363 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000426495666 235339148 /nfs/dbraw/zinc/33/91/48/235339148.db2.gz LMNVJLJSTFOEDT-GXTWGEPZSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000426495666 235339150 /nfs/dbraw/zinc/33/91/50/235339150.db2.gz LMNVJLJSTFOEDT-GXTWGEPZSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000426495666 235339151 /nfs/dbraw/zinc/33/91/51/235339151.db2.gz LMNVJLJSTFOEDT-GXTWGEPZSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000426495666 235339154 /nfs/dbraw/zinc/33/91/54/235339154.db2.gz LMNVJLJSTFOEDT-GXTWGEPZSA-N 2 2 281.400 0.450 20 0 CCADLP COCC[NH+]1CCN(Cc2[nH+]cc(C)n2C)CC1 ZINC000342772546 355743142 /nfs/dbraw/zinc/74/31/42/355743142.db2.gz CQNURKLCZCRRDU-UHFFFAOYSA-N 2 2 252.362 0.493 20 0 CCADLP Cc1c[nH+]c(CN2CCC[N@@H+]([C@H](C)CO)CC2)n1C ZINC000342797203 355748381 /nfs/dbraw/zinc/74/83/81/355748381.db2.gz NLBZXJJNZOEVHK-CYBMUJFWSA-N 2 2 266.389 0.617 20 0 CCADLP Cc1c[nH+]c(CN2CCC[N@H+]([C@H](C)CO)CC2)n1C ZINC000342797203 355748383 /nfs/dbraw/zinc/74/83/83/355748383.db2.gz NLBZXJJNZOEVHK-CYBMUJFWSA-N 2 2 266.389 0.617 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C ZINC000342813632 355751860 /nfs/dbraw/zinc/75/18/60/355751860.db2.gz SMGHPSYICURUFN-MROQNXINSA-N 2 2 258.406 0.684 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C ZINC000342813632 355751864 /nfs/dbraw/zinc/75/18/64/355751864.db2.gz SMGHPSYICURUFN-MROQNXINSA-N 2 2 258.406 0.684 20 0 CCADLP CN(C)C(=O)c1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)[nH]1 ZINC000427136819 235352975 /nfs/dbraw/zinc/35/29/75/235352975.db2.gz MHVJRCJWENMNIO-WCQYABFASA-N 2 2 276.384 0.900 20 0 CCADLP CN(C)C(=O)c1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)[nH]1 ZINC000427136819 235352979 /nfs/dbraw/zinc/35/29/79/235352979.db2.gz MHVJRCJWENMNIO-WCQYABFASA-N 2 2 276.384 0.900 20 0 CCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)NCC[NH+]2CCOCC2)C[C@@H]1C ZINC000345398773 355815586 /nfs/dbraw/zinc/81/55/86/355815586.db2.gz SWSMGGONXBLSKW-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP CC[N@H+]1C[C@@H](C)N(C(=O)NCC[NH+]2CCOCC2)C[C@@H]1C ZINC000345398773 355815588 /nfs/dbraw/zinc/81/55/88/355815588.db2.gz SWSMGGONXBLSKW-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C1CC[NH+](C)CC1 ZINC000345440147 355826625 /nfs/dbraw/zinc/82/66/25/355826625.db2.gz OQHWSRCGQCETHK-GFCCVEGCSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C1CC[NH+](C)CC1 ZINC000345440147 355826626 /nfs/dbraw/zinc/82/66/26/355826626.db2.gz OQHWSRCGQCETHK-GFCCVEGCSA-N 2 2 269.389 0.165 20 0 CCADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)c2nnnn2C)C1 ZINC000346414710 355870507 /nfs/dbraw/zinc/87/05/07/355870507.db2.gz QGMDSKPVOOCLCO-STQMWFEESA-N 2 2 296.419 0.704 20 0 CCADLP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)c2nnnn2C)C1 ZINC000346414710 355870511 /nfs/dbraw/zinc/87/05/11/355870511.db2.gz QGMDSKPVOOCLCO-STQMWFEESA-N 2 2 296.419 0.704 20 0 CCADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)s1 ZINC000348382831 355922532 /nfs/dbraw/zinc/92/25/32/355922532.db2.gz LQOLAURCWWKFOE-CQSZACIVSA-N 2 2 294.424 0.917 20 0 CCADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)s1 ZINC000348382831 355922534 /nfs/dbraw/zinc/92/25/34/355922534.db2.gz LQOLAURCWWKFOE-CQSZACIVSA-N 2 2 294.424 0.917 20 0 CCADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000348262508 355898426 /nfs/dbraw/zinc/89/84/26/355898426.db2.gz OQLXODSCDSVJOS-OAHLLOKOSA-N 3 2 263.385 0.979 20 0 CCADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000348262508 355898428 /nfs/dbraw/zinc/89/84/28/355898428.db2.gz OQLXODSCDSVJOS-OAHLLOKOSA-N 3 2 263.385 0.979 20 0 CCADLP C[C@H](CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1)[NH+](C)C ZINC000350899353 355999900 /nfs/dbraw/zinc/99/99/00/355999900.db2.gz XZXNLXMHVYRRGV-TZMCWYRMSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H](CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1)[NH+](C)C ZINC000350899353 355999904 /nfs/dbraw/zinc/99/99/04/355999904.db2.gz XZXNLXMHVYRRGV-TZMCWYRMSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCC[NH+](C)C1CC1 ZINC000352730157 356064576 /nfs/dbraw/zinc/06/45/76/356064576.db2.gz GWWAEGUBKDQLLM-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCC[NH+](C)C1CC1 ZINC000352730157 356064579 /nfs/dbraw/zinc/06/45/79/356064579.db2.gz GWWAEGUBKDQLLM-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)NCC[N@H+](C)C1CC1 ZINC000352730157 356064582 /nfs/dbraw/zinc/06/45/82/356064582.db2.gz GWWAEGUBKDQLLM-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)NCC[N@@H+](C)C1CC1 ZINC000352730157 356064585 /nfs/dbraw/zinc/06/45/85/356064585.db2.gz GWWAEGUBKDQLLM-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP NC(=O)c1csc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000352700524 356058497 /nfs/dbraw/zinc/05/84/97/356058497.db2.gz QWXYYWMWKHMDJQ-LBPRGKRZSA-N 2 2 294.424 0.327 20 0 CCADLP C[C@H](CN1CCOCC1)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000352715843 356061436 /nfs/dbraw/zinc/06/14/36/356061436.db2.gz GOPKZVLWIUAJHP-GZBFAFLISA-N 2 2 267.417 0.779 20 0 CCADLP C[C@H](CN1CCOCC1)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000352715843 356061439 /nfs/dbraw/zinc/06/14/39/356061439.db2.gz GOPKZVLWIUAJHP-GZBFAFLISA-N 2 2 267.417 0.779 20 0 CCADLP COCCc1noc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])n1 ZINC000352488786 356013479 /nfs/dbraw/zinc/01/34/79/356013479.db2.gz USSZGMJBKOXDAK-LLVKDONJSA-N 2 2 268.361 0.962 20 0 CCADLP COCCc1noc(C[N@H+]2CCCC[C@@H]2CC[NH3+])n1 ZINC000352488786 356013480 /nfs/dbraw/zinc/01/34/80/356013480.db2.gz USSZGMJBKOXDAK-LLVKDONJSA-N 2 2 268.361 0.962 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000352805319 356085068 /nfs/dbraw/zinc/08/50/68/356085068.db2.gz OKWLUDZAHSDPGR-ZDUSSCGKSA-N 2 2 292.383 0.836 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000352805319 356085069 /nfs/dbraw/zinc/08/50/69/356085069.db2.gz OKWLUDZAHSDPGR-ZDUSSCGKSA-N 2 2 292.383 0.836 20 0 CCADLP COCC[NH+](CCOC)C1CC[NH+](CCOC)CC1 ZINC000353021435 356139700 /nfs/dbraw/zinc/13/97/00/356139700.db2.gz KEBYTABKRFRBSE-UHFFFAOYSA-N 2 2 274.405 0.692 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000353432248 356221710 /nfs/dbraw/zinc/22/17/10/356221710.db2.gz RUZVSCSPEHGVCX-KKUMJFAQSA-N 2 2 296.459 0.373 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000353452785 356225351 /nfs/dbraw/zinc/22/53/51/356225351.db2.gz QYXNZFYQYIPKRW-MCIONIFRSA-N 2 2 283.416 0.457 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000353452785 356225355 /nfs/dbraw/zinc/22/53/55/356225355.db2.gz QYXNZFYQYIPKRW-MCIONIFRSA-N 2 2 283.416 0.457 20 0 CCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])CC(C)C)CC1 ZINC000353470227 356230737 /nfs/dbraw/zinc/23/07/37/356230737.db2.gz JIMZAMOLUWSYQB-ZDUSSCGKSA-N 2 2 298.431 0.030 20 0 CCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]([NH3+])CC(C)C)CC1 ZINC000353470227 356230740 /nfs/dbraw/zinc/23/07/40/356230740.db2.gz JIMZAMOLUWSYQB-ZDUSSCGKSA-N 2 2 298.431 0.030 20 0 CCADLP COC(=O)c1cc(C[N@H+](C)C2CC[NH+](CCO)CC2)c[nH]1 ZINC000353346153 356206778 /nfs/dbraw/zinc/20/67/78/356206778.db2.gz ASDXQKMXKBAQQF-UHFFFAOYSA-N 2 2 295.383 0.690 20 0 CCADLP COC(=O)c1cc(C[N@@H+](C)C2CC[NH+](CCO)CC2)c[nH]1 ZINC000353346153 356206780 /nfs/dbraw/zinc/20/67/80/356206780.db2.gz ASDXQKMXKBAQQF-UHFFFAOYSA-N 2 2 295.383 0.690 20 0 CCADLP CCCC[C@H]([NH3+])C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000353652428 356265515 /nfs/dbraw/zinc/26/55/15/356265515.db2.gz YXIRFRPPRRULKH-AGIUHOORSA-N 2 2 271.405 0.729 20 0 CCADLP COC[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000353654740 356266746 /nfs/dbraw/zinc/26/67/46/356266746.db2.gz DLBHJJYGHKRRHF-OAHLLOKOSA-N 2 2 279.384 0.643 20 0 CCADLP [NH3+][C@H](CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)c1ccccc1 ZINC000360818752 138011965 /nfs/dbraw/zinc/01/19/65/138011965.db2.gz QHMHSOMNYLFLTR-MNOVXSKESA-N 2 2 269.295 0.800 20 0 CCADLP CO[C@H](C)CC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000360860140 138013840 /nfs/dbraw/zinc/01/38/40/138013840.db2.gz XOIZJANNXLMUCC-OAHLLOKOSA-N 2 2 299.459 0.798 20 0 CCADLP CO[C@H](C)CC[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000360860140 138013841 /nfs/dbraw/zinc/01/38/41/138013841.db2.gz XOIZJANNXLMUCC-OAHLLOKOSA-N 2 2 299.459 0.798 20 0 CCADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccccc1-n1ccnn1 ZINC000353506215 356241621 /nfs/dbraw/zinc/24/16/21/356241621.db2.gz XDXGGNMDHFHBSU-STQMWFEESA-N 2 2 289.383 0.840 20 0 CCADLP C[N@H+]([C@H]1CCN(C2CC2)C1=O)C1CC[NH+](CCO)CC1 ZINC000361401707 138035455 /nfs/dbraw/zinc/03/54/55/138035455.db2.gz ZNUJRZLHBCLBLO-AWEZNQCLSA-N 2 2 281.400 0.138 20 0 CCADLP C[N@@H+]([C@H]1CCN(C2CC2)C1=O)C1CC[NH+](CCO)CC1 ZINC000361401707 138035456 /nfs/dbraw/zinc/03/54/56/138035456.db2.gz ZNUJRZLHBCLBLO-AWEZNQCLSA-N 2 2 281.400 0.138 20 0 CCADLP COC[C@@H]([NH3+])C(=O)NCCCCNc1cccc[nH+]1 ZINC000354064233 356338980 /nfs/dbraw/zinc/33/89/80/356338980.db2.gz LQRVIJITRDWBGU-LLVKDONJSA-N 2 2 266.345 0.364 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(OCC3CC3)CC2)CC1 ZINC000361998635 138041597 /nfs/dbraw/zinc/04/15/97/138041597.db2.gz SWHRACYQIFRSDB-UHFFFAOYSA-N 2 2 295.427 0.651 20 0 CCADLP CC[C@@H](C)[N@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000354151515 356354892 /nfs/dbraw/zinc/35/48/92/356354892.db2.gz XSWQGZBCRKAQAB-CYBMUJFWSA-N 2 2 285.432 0.944 20 0 CCADLP CC[C@@H](C)[N@@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000354151515 356354897 /nfs/dbraw/zinc/35/48/97/356354897.db2.gz XSWQGZBCRKAQAB-CYBMUJFWSA-N 2 2 285.432 0.944 20 0 CCADLP CN(C)c1[nH+]cc(C[NH+]2CCC(CO)CC2)n1C ZINC000362287104 138053926 /nfs/dbraw/zinc/05/39/26/138053926.db2.gz SWACCQJLECYNMR-UHFFFAOYSA-N 2 2 252.362 0.690 20 0 CCADLP C[C@H](NC(=O)[C@]1(C)CCCC[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000357814861 299240604 /nfs/dbraw/zinc/24/06/04/299240604.db2.gz LGYGIZRLEKVBGH-YDHLFZDLSA-N 2 2 283.416 0.744 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCOCC2)C[C@H]1C ZINC000354226620 356369903 /nfs/dbraw/zinc/36/99/03/356369903.db2.gz XCFBDNBAUORERS-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCOCC2)C[C@H]1C ZINC000354226620 356369907 /nfs/dbraw/zinc/36/99/07/356369907.db2.gz XCFBDNBAUORERS-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCOCC2)C[C@H]1C ZINC000354226620 356369911 /nfs/dbraw/zinc/36/99/11/356369911.db2.gz XCFBDNBAUORERS-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCOCC2)C[C@H]1C ZINC000354226620 356369913 /nfs/dbraw/zinc/36/99/13/356369913.db2.gz XCFBDNBAUORERS-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362700176 138070294 /nfs/dbraw/zinc/07/02/94/138070294.db2.gz YCROCMQHTYKSND-CQSZACIVSA-N 2 2 291.399 0.125 20 0 CCADLP Cc1nn(C)cc1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362700176 138070295 /nfs/dbraw/zinc/07/02/95/138070295.db2.gz YCROCMQHTYKSND-CQSZACIVSA-N 2 2 291.399 0.125 20 0 CCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N(C)Cc1cnn(C)c1 ZINC000518777208 535308857 /nfs/dbraw/zinc/30/88/57/535308857.db2.gz WAXJEEWJXZDDGM-CQSZACIVSA-N 2 2 281.404 0.342 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000328747365 202038270 /nfs/dbraw/zinc/03/82/70/202038270.db2.gz AVPZKYDFEIEJKO-NWDGAFQWSA-N 2 2 278.356 0.067 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000328747365 202038272 /nfs/dbraw/zinc/03/82/72/202038272.db2.gz AVPZKYDFEIEJKO-NWDGAFQWSA-N 2 2 278.356 0.067 20 0 CCADLP Cc1noc(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000355055252 356560957 /nfs/dbraw/zinc/56/09/57/356560957.db2.gz AMSQWBIVSUODNZ-LBPRGKRZSA-N 2 2 293.415 0.978 20 0 CCADLP Cc1noc(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000355055252 356560961 /nfs/dbraw/zinc/56/09/61/356560961.db2.gz AMSQWBIVSUODNZ-LBPRGKRZSA-N 2 2 293.415 0.978 20 0 CCADLP C[C@@H]1[C@H](NC(=O)CCc2[nH]cc[nH+]2)CCC[N@@H+]1C ZINC000355919855 356669937 /nfs/dbraw/zinc/66/99/37/356669937.db2.gz PFSBYKPYZYFYJD-GHMZBOCLSA-N 2 2 250.346 0.941 20 0 CCADLP C[C@@H]1[C@H](NC(=O)CCc2[nH]cc[nH+]2)CCC[N@H+]1C ZINC000355919855 356669940 /nfs/dbraw/zinc/66/99/40/356669940.db2.gz PFSBYKPYZYFYJD-GHMZBOCLSA-N 2 2 250.346 0.941 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CCO[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000329026270 202157512 /nfs/dbraw/zinc/15/75/12/202157512.db2.gz OBMIDEZTRFSTFT-KBPBESRZSA-N 2 2 292.383 0.284 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000329026270 202157515 /nfs/dbraw/zinc/15/75/15/202157515.db2.gz OBMIDEZTRFSTFT-KBPBESRZSA-N 2 2 292.383 0.284 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1CCC[NH+]1C ZINC000356199032 356721886 /nfs/dbraw/zinc/72/18/86/356721886.db2.gz DDPICYIWKNKNIF-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1CCC[NH+]1C ZINC000356199032 356721888 /nfs/dbraw/zinc/72/18/88/356721888.db2.gz DDPICYIWKNKNIF-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000356199032 356721892 /nfs/dbraw/zinc/72/18/92/356721892.db2.gz DDPICYIWKNKNIF-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000356199032 356721893 /nfs/dbraw/zinc/72/18/93/356721893.db2.gz DDPICYIWKNKNIF-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP C[NH+](C)CC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000619888399 366370267 /nfs/dbraw/zinc/37/02/67/366370267.db2.gz CRFNFTXQWDKMPK-UHFFFAOYSA-N 2 2 269.389 0.119 20 0 CCADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)NCC1(c2ccccc2)CC1 ZINC000359312414 356800218 /nfs/dbraw/zinc/80/02/18/356800218.db2.gz ACTMLGCQPIGDCU-HUUCEWRRSA-N 2 2 299.418 0.986 20 0 CCADLP CCOC(=O)c1c[nH+]ccc1NCCn1cc[nH+]c1 ZINC000359367790 356810025 /nfs/dbraw/zinc/81/00/25/356810025.db2.gz XOJZOWLEEVUKSP-UHFFFAOYSA-N 2 2 260.297 0.989 20 0 CCADLP CCCN(CC[NH+](C)C)C(=O)[C@@H]1COCC[N@@H+]1CC ZINC000342404022 283228983 /nfs/dbraw/zinc/22/89/83/283228983.db2.gz GQQSGSWIOMWAGR-ZDUSSCGKSA-N 2 2 271.405 0.507 20 0 CCADLP CCCN(CC[NH+](C)C)C(=O)[C@@H]1COCC[N@H+]1CC ZINC000342404022 283228984 /nfs/dbraw/zinc/22/89/84/283228984.db2.gz GQQSGSWIOMWAGR-ZDUSSCGKSA-N 2 2 271.405 0.507 20 0 CCADLP C[C@@H](CC(N)=O)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000360037599 356938537 /nfs/dbraw/zinc/93/85/37/356938537.db2.gz KQVXDCZGJXCCDP-JTQLQIEISA-N 2 2 250.346 0.615 20 0 CCADLP C[C@@H](C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)[NH+]1CCN(C)CC1 ZINC000360085576 356944962 /nfs/dbraw/zinc/94/49/62/356944962.db2.gz QGDKHMFJIIDKHN-GJZGRUSLSA-N 2 2 296.459 0.423 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC([NH2+][C@H]2CCSC2)CC1 ZINC000364338079 357110199 /nfs/dbraw/zinc/11/01/99/357110199.db2.gz KSGHRXOBLZSRLV-HNNXBMFYSA-N 2 2 299.484 0.878 20 0 CCADLP C(C[NH+]1CCC([NH2+][C@H]2CCSC2)CC1)N1CCOCC1 ZINC000364338079 357110203 /nfs/dbraw/zinc/11/02/03/357110203.db2.gz KSGHRXOBLZSRLV-HNNXBMFYSA-N 2 2 299.484 0.878 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)COCC3CC3)C2)CC1 ZINC000364208816 357096120 /nfs/dbraw/zinc/09/61/20/357096120.db2.gz TWDCHMOBGJQHDF-CQSZACIVSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)COCC3CC3)C2)CC1 ZINC000364208816 357096123 /nfs/dbraw/zinc/09/61/23/357096123.db2.gz TWDCHMOBGJQHDF-CQSZACIVSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655712413 412650297 /nfs/dbraw/zinc/65/02/97/412650297.db2.gz MWXPNLLPTJVGEN-CABCVRRESA-N 3 2 285.432 0.142 20 0 CCADLP COCCN1CC[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655710442 412651044 /nfs/dbraw/zinc/65/10/44/412651044.db2.gz AYYPHCSOCDJMMG-HZPDHXFCSA-N 2 2 297.443 0.550 20 0 CCADLP CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366535247 357222369 /nfs/dbraw/zinc/22/23/69/357222369.db2.gz NUTIMFIBEBOLNR-OCCSQVGLSA-N 2 2 253.390 0.929 20 0 CCADLP CC[C@@H](C)NC(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366535247 357222372 /nfs/dbraw/zinc/22/23/72/357222372.db2.gz NUTIMFIBEBOLNR-OCCSQVGLSA-N 2 2 253.390 0.929 20 0 CCADLP CC[C@@H](C)NC(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366535247 357222376 /nfs/dbraw/zinc/22/23/76/357222376.db2.gz NUTIMFIBEBOLNR-OCCSQVGLSA-N 2 2 253.390 0.929 20 0 CCADLP CC[C@@H](C)NC(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366535247 357222380 /nfs/dbraw/zinc/22/23/80/357222380.db2.gz NUTIMFIBEBOLNR-OCCSQVGLSA-N 2 2 253.390 0.929 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CCCOC3)C2)CC1 ZINC000369269109 357341829 /nfs/dbraw/zinc/34/18/29/357341829.db2.gz VQUGMSVEJPSULI-UONOGXRCSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CCCOC3)C2)CC1 ZINC000369269109 357341833 /nfs/dbraw/zinc/34/18/33/357341833.db2.gz VQUGMSVEJPSULI-UONOGXRCSA-N 2 2 295.427 0.698 20 0 CCADLP CSCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369272870 357342952 /nfs/dbraw/zinc/34/29/52/357342952.db2.gz DESWVJFHKCTUPF-LLVKDONJSA-N 2 2 271.430 0.634 20 0 CCADLP CSCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369272870 357342955 /nfs/dbraw/zinc/34/29/55/357342955.db2.gz DESWVJFHKCTUPF-LLVKDONJSA-N 2 2 271.430 0.634 20 0 CCADLP CO[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369279481 357343741 /nfs/dbraw/zinc/34/37/41/357343741.db2.gz XJHAGXCPOYUWBV-NWDGAFQWSA-N 2 2 269.389 0.306 20 0 CCADLP CO[C@@H](C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369279481 357343745 /nfs/dbraw/zinc/34/37/45/357343745.db2.gz XJHAGXCPOYUWBV-NWDGAFQWSA-N 2 2 269.389 0.306 20 0 CCADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655736790 412654794 /nfs/dbraw/zinc/65/47/94/412654794.db2.gz SFSXXTSSIGIYMY-KFWWJZLASA-N 2 2 295.427 0.744 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000377163361 357546625 /nfs/dbraw/zinc/54/66/25/357546625.db2.gz AIYVRHNUMDOQKE-DZGCQCFKSA-N 2 2 278.400 0.987 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000377163361 357546630 /nfs/dbraw/zinc/54/66/30/357546630.db2.gz AIYVRHNUMDOQKE-DZGCQCFKSA-N 2 2 278.400 0.987 20 0 CCADLP C1C[C@H]([NH+]2CCC([NH2+]C3COCCOC3)CC2)CO1 ZINC000655769734 412658457 /nfs/dbraw/zinc/65/84/57/412658457.db2.gz NTBLESRASZXEPN-AWEZNQCLSA-N 2 2 270.373 0.245 20 0 CCADLP CC1(C)NC(=O)CC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655766653 412658676 /nfs/dbraw/zinc/65/86/76/412658676.db2.gz SXZPYLJZQOCVFT-KBPBESRZSA-N 2 2 295.427 0.887 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000449345567 236029339 /nfs/dbraw/zinc/02/93/39/236029339.db2.gz IOPLKGCVLAILEM-FVCCEPFGSA-N 2 2 269.389 0.067 20 0 CCADLP C[C@H]1C[C@@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC[N@@H+]1C ZINC000377925893 357631103 /nfs/dbraw/zinc/63/11/03/357631103.db2.gz MCNYUMBGIMUSIE-SOUVJXGZSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@H]1C[C@@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC000377925893 357631109 /nfs/dbraw/zinc/63/11/09/357631109.db2.gz MCNYUMBGIMUSIE-SOUVJXGZSA-N 2 2 295.427 0.650 20 0 CCADLP C[N@@H+]1CC[C@H]2CCN(C(=O)NCC[NH+]3CCOCC3)[C@H]2C1 ZINC000378498794 357686533 /nfs/dbraw/zinc/68/65/33/357686533.db2.gz TXNOWBMQPNJUGF-KBPBESRZSA-N 2 2 296.415 0.054 20 0 CCADLP C[N@H+]1CC[C@H]2CCN(C(=O)NCC[NH+]3CCOCC3)[C@H]2C1 ZINC000378498794 357686535 /nfs/dbraw/zinc/68/65/35/357686535.db2.gz TXNOWBMQPNJUGF-KBPBESRZSA-N 2 2 296.415 0.054 20 0 CCADLP CC[N@@H+](Cc1ccccn1)C[C@H](O)C[NH+](C)CCOC ZINC000380413519 357703730 /nfs/dbraw/zinc/70/37/30/357703730.db2.gz FLRGHUAIPVOMKO-OAHLLOKOSA-N 2 2 281.400 0.843 20 0 CCADLP CC[N@H+](Cc1ccccn1)C[C@H](O)C[NH+](C)CCOC ZINC000380413519 357703732 /nfs/dbraw/zinc/70/37/32/357703732.db2.gz FLRGHUAIPVOMKO-OAHLLOKOSA-N 2 2 281.400 0.843 20 0 CCADLP CC[NH+](Cc1ccccn1)C[C@H](O)C[N@H+](C)CCOC ZINC000380413519 357703734 /nfs/dbraw/zinc/70/37/34/357703734.db2.gz FLRGHUAIPVOMKO-OAHLLOKOSA-N 2 2 281.400 0.843 20 0 CCADLP CC[NH+](Cc1ccccn1)C[C@H](O)C[N@@H+](C)CCOC ZINC000380413519 357703735 /nfs/dbraw/zinc/70/37/35/357703735.db2.gz FLRGHUAIPVOMKO-OAHLLOKOSA-N 2 2 281.400 0.843 20 0 CCADLP CCn1cc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cn1 ZINC000449390664 236031823 /nfs/dbraw/zinc/03/18/23/236031823.db2.gz HBDOUMAQVMCCHG-AWEZNQCLSA-N 2 2 266.389 0.839 20 0 CCADLP CCn1cc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cn1 ZINC000449390664 236031825 /nfs/dbraw/zinc/03/18/25/236031825.db2.gz HBDOUMAQVMCCHG-AWEZNQCLSA-N 2 2 266.389 0.839 20 0 CCADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000389274347 357735817 /nfs/dbraw/zinc/73/58/17/357735817.db2.gz RWEOWNMHWADELM-AAEUAGOBSA-N 2 2 297.359 0.226 20 0 CCADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000389274347 357735825 /nfs/dbraw/zinc/73/58/25/357735825.db2.gz RWEOWNMHWADELM-AAEUAGOBSA-N 2 2 297.359 0.226 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000294440954 199040265 /nfs/dbraw/zinc/04/02/65/199040265.db2.gz GVKVKOPLVIZUBB-LBPRGKRZSA-N 2 2 293.367 0.675 20 0 CCADLP CO[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000451535625 236165949 /nfs/dbraw/zinc/16/59/49/236165949.db2.gz AXKOYZWAZQSBCF-OLZOCXBDSA-N 2 2 269.389 0.117 20 0 CCADLP CO[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000451535625 236165952 /nfs/dbraw/zinc/16/59/52/236165952.db2.gz AXKOYZWAZQSBCF-OLZOCXBDSA-N 2 2 269.389 0.117 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000561225010 291122461 /nfs/dbraw/zinc/12/24/61/291122461.db2.gz IGZOHKWYRJZLRS-CYBMUJFWSA-N 2 2 269.389 0.119 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000561225010 291122464 /nfs/dbraw/zinc/12/24/64/291122464.db2.gz IGZOHKWYRJZLRS-CYBMUJFWSA-N 2 2 269.389 0.119 20 0 CCADLP C[C@H](O)C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC(F)F ZINC000451824462 236195104 /nfs/dbraw/zinc/19/51/04/236195104.db2.gz BZBYOQXILWANSE-NSHDSACASA-N 2 2 293.358 0.098 20 0 CCADLP C[C@H](O)C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC(F)F ZINC000451824462 236195106 /nfs/dbraw/zinc/19/51/06/236195106.db2.gz BZBYOQXILWANSE-NSHDSACASA-N 2 2 293.358 0.098 20 0 CCADLP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)[C@@H]1CSC[NH2+]1 ZINC000269264253 295958029 /nfs/dbraw/zinc/95/80/29/295958029.db2.gz ODCGZDWSLSDWBE-JTQLQIEISA-N 2 2 275.337 0.868 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000449146541 299268941 /nfs/dbraw/zinc/26/89/41/299268941.db2.gz NTNKYQLUMQGFIN-GXTWGEPZSA-N 2 2 281.400 0.450 20 0 CCADLP Cc1ccc(CCC[N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)c[nH+]1 ZINC000453586596 236276517 /nfs/dbraw/zinc/27/65/17/236276517.db2.gz PWDHNBDVEVATSL-GJZGRUSLSA-N 2 2 289.379 0.912 20 0 CCADLP Cc1ccc(CCC[N@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)c[nH+]1 ZINC000453586596 236276519 /nfs/dbraw/zinc/27/65/19/236276519.db2.gz PWDHNBDVEVATSL-GJZGRUSLSA-N 2 2 289.379 0.912 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[C@@H]3CC[N@H+](C)C[C@H]32)nc[nH+]1 ZINC000294594511 199099907 /nfs/dbraw/zinc/09/99/07/199099907.db2.gz ZMEYRWBBWABGEM-RWMBFGLXSA-N 2 2 291.399 0.800 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)nc[nH+]1 ZINC000294594511 199099908 /nfs/dbraw/zinc/09/99/08/199099908.db2.gz ZMEYRWBBWABGEM-RWMBFGLXSA-N 2 2 291.399 0.800 20 0 CCADLP NS(=O)(=O)[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000408445371 358098575 /nfs/dbraw/zinc/09/85/75/358098575.db2.gz YKHHKHVKIKAXSB-GFCCVEGCSA-N 2 2 275.418 0.225 20 0 CCADLP NS(=O)(=O)[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000408445371 358098577 /nfs/dbraw/zinc/09/85/77/358098577.db2.gz YKHHKHVKIKAXSB-GFCCVEGCSA-N 2 2 275.418 0.225 20 0 CCADLP COCC[NH2+]CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000414868830 358123325 /nfs/dbraw/zinc/12/33/25/358123325.db2.gz FGOVMCSVNQJHRJ-BFHYXJOUSA-N 3 2 255.406 0.733 20 0 CCADLP CO[C@@H]1CC[C@H]([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000423071485 358195991 /nfs/dbraw/zinc/19/59/91/358195991.db2.gz OKPXAARVWUZFMO-DGAVXFQQSA-N 2 2 254.374 0.911 20 0 CCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000424181963 358209739 /nfs/dbraw/zinc/20/97/39/358209739.db2.gz SIZVIZRVTFLHTL-OLZOCXBDSA-N 2 2 292.383 0.190 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+](C[C@H](C)CS(C)(=O)=O)C1 ZINC000430611678 358228242 /nfs/dbraw/zinc/22/82/42/358228242.db2.gz OTHVMLUCCIQWFF-NWDGAFQWSA-N 2 2 262.419 0.599 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H](C)CS(C)(=O)=O)C1 ZINC000430611678 358228243 /nfs/dbraw/zinc/22/82/43/358228243.db2.gz OTHVMLUCCIQWFF-NWDGAFQWSA-N 2 2 262.419 0.599 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000619970294 366394171 /nfs/dbraw/zinc/39/41/71/366394171.db2.gz ILYIXHGSCHWOHU-CHWSQXEVSA-N 2 2 281.400 0.308 20 0 CCADLP CSC[C@@H](C)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000518498047 358344120 /nfs/dbraw/zinc/34/41/20/358344120.db2.gz GODZXQMTTSRSFS-ZJUUUORDSA-N 2 2 260.407 0.022 20 0 CCADLP CSC[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000518498047 358344124 /nfs/dbraw/zinc/34/41/24/358344124.db2.gz GODZXQMTTSRSFS-ZJUUUORDSA-N 2 2 260.407 0.022 20 0 CCADLP CCC[NH+]1CCC([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000567680284 358570170 /nfs/dbraw/zinc/57/01/70/358570170.db2.gz VIZLGVKYRGUDHS-INIZCTEOSA-N 3 2 298.475 0.059 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000533186251 358531257 /nfs/dbraw/zinc/53/12/57/358531257.db2.gz RRJNQSRHHXMYGA-GFCCVEGCSA-N 2 2 250.346 0.683 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000533186251 358531260 /nfs/dbraw/zinc/53/12/60/358531260.db2.gz RRJNQSRHHXMYGA-GFCCVEGCSA-N 2 2 250.346 0.683 20 0 CCADLP COc1ccc(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1F ZINC000567899715 358609994 /nfs/dbraw/zinc/60/99/94/358609994.db2.gz QWWUQXCTBKLXHM-GFCCVEGCSA-N 2 2 295.358 0.478 20 0 CCADLP COc1ccc(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1F ZINC000567899715 358609995 /nfs/dbraw/zinc/60/99/95/358609995.db2.gz QWWUQXCTBKLXHM-GFCCVEGCSA-N 2 2 295.358 0.478 20 0 CCADLP C[NH2+]CCN(C)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000567983596 358621512 /nfs/dbraw/zinc/62/15/12/358621512.db2.gz KUSBPFGTOTURJS-UHFFFAOYSA-N 2 2 260.341 0.863 20 0 CCADLP C[C@@H](CC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)n1cc[nH+]c1 ZINC000568070295 358630499 /nfs/dbraw/zinc/63/04/99/358630499.db2.gz KOQUJVWETKLJKF-MELADBBJSA-N 2 2 292.383 0.814 20 0 CCADLP C[C@@H](CC(=O)NC[C@](C)(O)CC[NH+](C)C)n1cc[nH+]c1 ZINC000568146290 358635605 /nfs/dbraw/zinc/63/56/05/358635605.db2.gz JHFSXHCVEANTDP-GXTWGEPZSA-N 2 2 282.388 0.653 20 0 CCADLP CC(C)[NH2+]CCC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000567800488 358587721 /nfs/dbraw/zinc/58/77/21/358587721.db2.gz RIDOEHYFAKEQAU-CYBMUJFWSA-N 2 2 270.421 0.127 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@@H](C)C(=O)N2CCCC2)n1C ZINC000568269766 358661305 /nfs/dbraw/zinc/66/13/05/358661305.db2.gz WZNSDJPGFADMHS-JTQLQIEISA-N 2 2 250.346 0.829 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000568390221 358670470 /nfs/dbraw/zinc/67/04/70/358670470.db2.gz AEPDITQTFLJVCM-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP CC[C@H](C)NC(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000569408065 358761227 /nfs/dbraw/zinc/76/12/27/358761227.db2.gz DXXVXHPTINSICF-NSHDSACASA-N 2 2 265.361 0.446 20 0 CCADLP OC[C@]1(O)CCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000568841274 358709616 /nfs/dbraw/zinc/70/96/16/358709616.db2.gz XVADVKCSZCFSTF-AWEZNQCLSA-N 2 2 261.325 0.654 20 0 CCADLP OC[C@]1(O)CCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000568841274 358709619 /nfs/dbraw/zinc/70/96/19/358709619.db2.gz XVADVKCSZCFSTF-AWEZNQCLSA-N 2 2 261.325 0.654 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@@H](C(=O)N2CCOCC2)C(C)C)n1C ZINC000570345812 358849366 /nfs/dbraw/zinc/84/93/66/358849366.db2.gz WMDCYOZUTFUWRN-CQSZACIVSA-N 2 2 294.399 0.702 20 0 CCADLP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCC[NH+]2CCCCC2)CC1 ZINC000573316905 358956648 /nfs/dbraw/zinc/95/66/48/358956648.db2.gz MUQFCDLAYHNRDT-INIZCTEOSA-N 3 2 298.475 0.060 20 0 CCADLP CN(C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C1CCCC1 ZINC000573924861 359012506 /nfs/dbraw/zinc/01/25/06/359012506.db2.gz ZWRWPHGBSPDBJX-LBPRGKRZSA-N 2 2 254.378 0.556 20 0 CCADLP CN(C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C1CCCC1 ZINC000573924861 359012510 /nfs/dbraw/zinc/01/25/10/359012510.db2.gz ZWRWPHGBSPDBJX-LBPRGKRZSA-N 2 2 254.378 0.556 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)CC(F)(F)C[NH3+])CC1 ZINC000579973167 359071843 /nfs/dbraw/zinc/07/18/43/359071843.db2.gz CSWUNHBNVVNZSG-UHFFFAOYSA-N 2 2 293.358 0.540 20 0 CCADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Cc1c[nH+]cn1C ZINC000579990470 359075146 /nfs/dbraw/zinc/07/51/46/359075146.db2.gz 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ZINC000580944330 359112064 /nfs/dbraw/zinc/11/20/64/359112064.db2.gz BWFKUHFNQGAHAO-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000580944330 359112069 /nfs/dbraw/zinc/11/20/69/359112069.db2.gz BWFKUHFNQGAHAO-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@H]1C[NH+](C)CCN1C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000580944330 359112073 /nfs/dbraw/zinc/11/20/73/359112073.db2.gz BWFKUHFNQGAHAO-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@H]1C[NH+](C)CCN1C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000580944330 359112076 /nfs/dbraw/zinc/11/20/76/359112076.db2.gz BWFKUHFNQGAHAO-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CCN(C)c1ccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])cn1 ZINC000580952407 359112827 /nfs/dbraw/zinc/11/28/27/359112827.db2.gz CQWCSKDORYJJKB-CQSZACIVSA-N 2 2 277.416 0.612 20 0 CCADLP CCN(C)c1ccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])cn1 ZINC000580952407 359112833 /nfs/dbraw/zinc/11/28/33/359112833.db2.gz CQWCSKDORYJJKB-CQSZACIVSA-N 2 2 277.416 0.612 20 0 CCADLP COCC[N@H+](C)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000579856623 359057221 /nfs/dbraw/zinc/05/72/21/359057221.db2.gz RQYNYBSZTGGYSF-LLVKDONJSA-N 2 2 268.361 0.283 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000579856623 359057227 /nfs/dbraw/zinc/05/72/27/359057227.db2.gz RQYNYBSZTGGYSF-LLVKDONJSA-N 2 2 268.361 0.283 20 0 CCADLP COCC[N@H+](C)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000579856623 359057230 /nfs/dbraw/zinc/05/72/30/359057230.db2.gz RQYNYBSZTGGYSF-LLVKDONJSA-N 2 2 268.361 0.283 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000579856623 359057235 /nfs/dbraw/zinc/05/72/35/359057235.db2.gz RQYNYBSZTGGYSF-LLVKDONJSA-N 2 2 268.361 0.283 20 0 CCADLP CCc1cc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)nc(C)[nH+]1 ZINC000579860718 359057995 /nfs/dbraw/zinc/05/79/95/359057995.db2.gz PSMLANGIFRFGRM-RYUDHWBXSA-N 2 2 275.356 0.096 20 0 CCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000584598007 359178149 /nfs/dbraw/zinc/17/81/49/359178149.db2.gz BKFPXTLPEHUFRI-CQSZACIVSA-N 2 2 253.390 0.834 20 0 CCADLP CC(C)CNC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000584598007 359178152 /nfs/dbraw/zinc/17/81/52/359178152.db2.gz BKFPXTLPEHUFRI-CQSZACIVSA-N 2 2 253.390 0.834 20 0 CCADLP CC1(CNC(=O)[C@@H]([NH3+])c2cscn2)CC[NH2+]CC1 ZINC000584715545 359193444 /nfs/dbraw/zinc/19/34/44/359193444.db2.gz RZAMZHZPMJZVAO-JTQLQIEISA-N 2 2 268.386 0.649 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)COC1CCC([NH3+])CC1 ZINC000582417449 359145345 /nfs/dbraw/zinc/14/53/45/359145345.db2.gz BOBJRJPKMBLEIS-HIFPTAJRSA-N 2 2 280.372 0.674 20 0 CCADLP CCn1ncnc1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000584599458 359178103 /nfs/dbraw/zinc/17/81/03/359178103.db2.gz YURKWQCKFMBLSS-OCCSQVGLSA-N 2 2 279.388 0.626 20 0 CCADLP O[C@H](C[NH2+]CCc1cn2c([nH+]1)CCCC2)Cn1cccn1 ZINC000562986421 291178151 /nfs/dbraw/zinc/17/81/51/291178151.db2.gz ATZJXGHEGFAWME-CQSZACIVSA-N 2 2 289.383 0.609 20 0 CCADLP CC[C@](C)(C[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1)OC ZINC000562999124 291179993 /nfs/dbraw/zinc/17/99/93/291179993.db2.gz XKNVXTASEXDXSQ-ZQDZILKHSA-N 2 2 288.432 0.861 20 0 CCADLP COC(=O)N1CCC([NH2+][C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000495990948 291183470 /nfs/dbraw/zinc/18/34/70/291183470.db2.gz RKRUZBOMZRPDAS-PWSUYJOCSA-N 2 2 255.362 0.757 20 0 CCADLP COC(=O)N1CCC([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000495990948 291183473 /nfs/dbraw/zinc/18/34/73/291183473.db2.gz RKRUZBOMZRPDAS-PWSUYJOCSA-N 2 2 255.362 0.757 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000591458627 359595697 /nfs/dbraw/zinc/59/56/97/359595697.db2.gz RWMRSLXKZDUTKQ-GFCCVEGCSA-N 2 2 269.389 0.165 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000591458627 359595703 /nfs/dbraw/zinc/59/57/03/359595703.db2.gz RWMRSLXKZDUTKQ-GFCCVEGCSA-N 2 2 269.389 0.165 20 0 CCADLP C[NH+]1CC[C@@H](C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000591458627 359595706 /nfs/dbraw/zinc/59/57/06/359595706.db2.gz RWMRSLXKZDUTKQ-GFCCVEGCSA-N 2 2 269.389 0.165 20 0 CCADLP C[NH+]1CC[C@@H](C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000591458627 359595712 /nfs/dbraw/zinc/59/57/12/359595712.db2.gz RWMRSLXKZDUTKQ-GFCCVEGCSA-N 2 2 269.389 0.165 20 0 CCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(=O)NC1CCCC1 ZINC000591658921 359630409 /nfs/dbraw/zinc/63/04/09/359630409.db2.gz CFRDTBUVVDQSCK-VXGBXAGGSA-N 2 2 282.388 0.614 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC000591726693 359648915 /nfs/dbraw/zinc/64/89/15/359648915.db2.gz CTWBLJAQELIKNB-CQSZACIVSA-N 3 2 296.459 0.423 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC000591726693 359648917 /nfs/dbraw/zinc/64/89/17/359648917.db2.gz CTWBLJAQELIKNB-CQSZACIVSA-N 3 2 296.459 0.423 20 0 CCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000591726693 359648919 /nfs/dbraw/zinc/64/89/19/359648919.db2.gz CTWBLJAQELIKNB-CQSZACIVSA-N 3 2 296.459 0.423 20 0 CCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000591726693 359648920 /nfs/dbraw/zinc/64/89/20/359648920.db2.gz CTWBLJAQELIKNB-CQSZACIVSA-N 3 2 296.459 0.423 20 0 CCADLP O[C@H](Cn1cccn1)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591916147 359693510 /nfs/dbraw/zinc/69/35/10/359693510.db2.gz YKOFCLPJZOPKLJ-KBPBESRZSA-N 2 2 275.356 0.778 20 0 CCADLP O[C@H](Cn1cccn1)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591916147 359693516 /nfs/dbraw/zinc/69/35/16/359693516.db2.gz YKOFCLPJZOPKLJ-KBPBESRZSA-N 2 2 275.356 0.778 20 0 CCADLP CC[C@H](C(=O)OC)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592182237 359778085 /nfs/dbraw/zinc/77/80/85/359778085.db2.gz MYLYXOMGKTYMPF-GFCCVEGCSA-N 2 2 270.373 0.735 20 0 CCADLP CC[C@H](C(=O)OC)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592182237 359778087 /nfs/dbraw/zinc/77/80/87/359778087.db2.gz MYLYXOMGKTYMPF-GFCCVEGCSA-N 2 2 270.373 0.735 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CCCn2cc[nH+]c2)C1 ZINC000592193224 359781491 /nfs/dbraw/zinc/78/14/91/359781491.db2.gz DOIULZKXXGKJPN-VXGBXAGGSA-N 2 2 267.329 0.129 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000592193224 359781495 /nfs/dbraw/zinc/78/14/95/359781495.db2.gz DOIULZKXXGKJPN-VXGBXAGGSA-N 2 2 267.329 0.129 20 0 CCADLP COC(=O)[C@H]1C[C@@H](O)C[N@H+](CCn2cc[nH+]c2C)C1 ZINC000592194968 359785302 /nfs/dbraw/zinc/78/53/02/359785302.db2.gz IFBLMQIZYDPZMV-NWDGAFQWSA-N 2 2 267.329 0.047 20 0 CCADLP COC(=O)[C@H]1C[C@@H](O)C[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000592194968 359785304 /nfs/dbraw/zinc/78/53/04/359785304.db2.gz IFBLMQIZYDPZMV-NWDGAFQWSA-N 2 2 267.329 0.047 20 0 CCADLP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ncnn2CCF)CC1 ZINC000563154693 291200415 /nfs/dbraw/zinc/20/04/15/291200415.db2.gz SWQSHBNCKBVLPP-OCCSQVGLSA-N 2 2 297.378 0.576 20 0 CCADLP CC[C@@H](C)[C@H](NC(=O)C[NH+]1CCC(C)([NH3+])CC1)C(=O)OC ZINC000592484982 359853289 /nfs/dbraw/zinc/85/32/89/359853289.db2.gz LTKFZFDNTDQMGI-YPMHNXCESA-N 2 2 299.415 0.504 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000592504089 359863635 /nfs/dbraw/zinc/86/36/35/359863635.db2.gz MLCRLJKVWQYGLA-KGLIPLIRSA-N 2 2 297.447 0.016 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000592504089 359863639 /nfs/dbraw/zinc/86/36/39/359863639.db2.gz MLCRLJKVWQYGLA-KGLIPLIRSA-N 2 2 297.447 0.016 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC[NH2+]1 ZINC000621156012 366656407 /nfs/dbraw/zinc/65/64/07/366656407.db2.gz QVGKEYZSAQISIU-TZMCWYRMSA-N 2 2 276.384 0.902 20 0 CCADLP COCC[NH+]1CCN(c2cc(NC[C@@H](C)O)[nH+]cn2)CC1 ZINC000298243939 200369870 /nfs/dbraw/zinc/36/98/70/200369870.db2.gz MFGPKMVZPRXKHA-GFCCVEGCSA-N 2 2 295.387 0.038 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000563349228 291215617 /nfs/dbraw/zinc/21/56/17/291215617.db2.gz FNEMXOFJMHDASZ-ZQDZILKHSA-N 2 2 286.416 0.567 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000563349228 291215620 /nfs/dbraw/zinc/21/56/20/291215620.db2.gz FNEMXOFJMHDASZ-ZQDZILKHSA-N 2 2 286.416 0.567 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000563349228 291215621 /nfs/dbraw/zinc/21/56/21/291215621.db2.gz FNEMXOFJMHDASZ-ZQDZILKHSA-N 2 2 286.416 0.567 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000563349228 291215623 /nfs/dbraw/zinc/21/56/23/291215623.db2.gz FNEMXOFJMHDASZ-ZQDZILKHSA-N 2 2 286.416 0.567 20 0 CCADLP COC(=O)C1(NC(=O)[C@H]([NH3+])CC[NH+](C)C)CCCCCC1 ZINC000593902992 360200809 /nfs/dbraw/zinc/20/08/09/360200809.db2.gz ZRJGROWXWDRRCW-GFCCVEGCSA-N 2 2 299.415 0.648 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000563397771 291223012 /nfs/dbraw/zinc/22/30/12/291223012.db2.gz VQYKPECPLXXNLW-UHFFFAOYSA-N 2 2 276.344 0.108 20 0 CCADLP C[C@@H](CSCCF)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000595017825 360432983 /nfs/dbraw/zinc/43/29/83/360432983.db2.gz LTBNKPDIUUKCFC-RYUDHWBXSA-N 2 2 263.426 0.913 20 0 CCADLP C[C@@H](CSCCF)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000595017825 360432992 /nfs/dbraw/zinc/43/29/92/360432992.db2.gz LTBNKPDIUUKCFC-RYUDHWBXSA-N 2 2 263.426 0.913 20 0 CCADLP COc1ncc(C)cc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000563470544 291232254 /nfs/dbraw/zinc/23/22/54/291232254.db2.gz YVCPJFBRPPYBFN-LLVKDONJSA-N 2 2 293.371 0.505 20 0 CCADLP COc1ncc(C)cc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000563470544 291232258 /nfs/dbraw/zinc/23/22/58/291232258.db2.gz YVCPJFBRPPYBFN-LLVKDONJSA-N 2 2 293.371 0.505 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H]1C[C@@H](C(=O)OC)C1 ZINC000595857550 360680336 /nfs/dbraw/zinc/68/03/36/360680336.db2.gz ZLQQFJOVJPURIV-GRYCIOLGSA-N 2 2 258.362 0.182 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H]1C[C@@H](C(=O)OC)C1 ZINC000595857550 360680340 /nfs/dbraw/zinc/68/03/40/360680340.db2.gz ZLQQFJOVJPURIV-GRYCIOLGSA-N 2 2 258.362 0.182 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H]1C[C@@H](C(=O)OC)C1 ZINC000595857550 360680346 /nfs/dbraw/zinc/68/03/46/360680346.db2.gz ZLQQFJOVJPURIV-GRYCIOLGSA-N 2 2 258.362 0.182 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H]1C[C@@H](C(=O)OC)C1 ZINC000595857550 360680351 /nfs/dbraw/zinc/68/03/51/360680351.db2.gz ZLQQFJOVJPURIV-GRYCIOLGSA-N 2 2 258.362 0.182 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H]2CCN(CCC(=O)OC)C2=O)C1 ZINC000595892374 360692205 /nfs/dbraw/zinc/69/22/05/360692205.db2.gz MYPAALSGORGMMO-QWHCGFSZSA-N 2 2 297.399 0.082 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H]2CCN(CCC(=O)OC)C2=O)C1 ZINC000595892374 360692207 /nfs/dbraw/zinc/69/22/07/360692207.db2.gz MYPAALSGORGMMO-QWHCGFSZSA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)[C@H](c1cccc(OC)c1)[N@H+](C)CCOCC[NH3+] ZINC000595902716 360698702 /nfs/dbraw/zinc/69/87/02/360698702.db2.gz MCIYATXFZHADSN-AWEZNQCLSA-N 2 2 296.367 0.816 20 0 CCADLP COC(=O)[C@H](c1cccc(OC)c1)[N@@H+](C)CCOCC[NH3+] ZINC000595902716 360698705 /nfs/dbraw/zinc/69/87/05/360698705.db2.gz MCIYATXFZHADSN-AWEZNQCLSA-N 2 2 296.367 0.816 20 0 CCADLP COC[C@]1(C(=O)OC)CCC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000595904669 360699848 /nfs/dbraw/zinc/69/98/48/360699848.db2.gz KJPKZKGDPPRPCY-AAEUAGOBSA-N 2 2 256.346 0.250 20 0 CCADLP COC[C@]1(C(=O)OC)CCC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000595904669 360699852 /nfs/dbraw/zinc/69/98/52/360699852.db2.gz KJPKZKGDPPRPCY-AAEUAGOBSA-N 2 2 256.346 0.250 20 0 CCADLP C[C@@H](C[NH2+]CCCCn1cc[nH+]c1)S(C)(=O)=O ZINC000563708920 291247579 /nfs/dbraw/zinc/24/75/79/291247579.db2.gz REQLGGUGGXPTSX-NSHDSACASA-N 2 2 259.375 0.686 20 0 CCADLP CNS(=O)(=O)CC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000621268490 366693244 /nfs/dbraw/zinc/69/32/44/366693244.db2.gz MFBXJZUBFFIPOF-NWDGAFQWSA-N 2 2 286.401 0.315 20 0 CCADLP CNS(=O)(=O)CC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000621268490 366693252 /nfs/dbraw/zinc/69/32/52/366693252.db2.gz MFBXJZUBFFIPOF-NWDGAFQWSA-N 2 2 286.401 0.315 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000631821725 370686595 /nfs/dbraw/zinc/68/65/95/370686595.db2.gz HBYIYFUSWQXATN-DGCLKSJQSA-N 2 2 251.374 0.681 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000631821725 370686603 /nfs/dbraw/zinc/68/66/03/370686603.db2.gz HBYIYFUSWQXATN-DGCLKSJQSA-N 2 2 251.374 0.681 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C1 ZINC000631821724 370686944 /nfs/dbraw/zinc/68/69/44/370686944.db2.gz HBYIYFUSWQXATN-AAEUAGOBSA-N 2 2 251.374 0.681 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H]2CCN(C3CCC3)C2=O)C1 ZINC000631821724 370686952 /nfs/dbraw/zinc/68/69/52/370686952.db2.gz HBYIYFUSWQXATN-AAEUAGOBSA-N 2 2 251.374 0.681 20 0 CCADLP CN(C)c1cc[nH+]c(NCCN2CCC([NH+](C)C)CC2)n1 ZINC000301741126 201169383 /nfs/dbraw/zinc/16/93/83/201169383.db2.gz DUZIDRXAVYBCAN-UHFFFAOYSA-N 2 2 292.431 0.981 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O)C1CC1 ZINC000564390276 291278092 /nfs/dbraw/zinc/27/80/92/291278092.db2.gz KWVWMAFIOGMFOD-SCUASFONSA-N 2 2 281.400 0.027 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O)C1CC1 ZINC000564390276 291278095 /nfs/dbraw/zinc/27/80/95/291278095.db2.gz KWVWMAFIOGMFOD-SCUASFONSA-N 2 2 281.400 0.027 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O)C1CC1 ZINC000564390276 291278097 /nfs/dbraw/zinc/27/80/97/291278097.db2.gz KWVWMAFIOGMFOD-SCUASFONSA-N 2 2 281.400 0.027 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O)C1CC1 ZINC000564390276 291278099 /nfs/dbraw/zinc/27/80/99/291278099.db2.gz KWVWMAFIOGMFOD-SCUASFONSA-N 2 2 281.400 0.027 20 0 CCADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000599084981 361568326 /nfs/dbraw/zinc/56/83/26/361568326.db2.gz HPGSRALUJBNPQZ-VXGBXAGGSA-N 2 2 272.389 0.763 20 0 CCADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000599084981 361568330 /nfs/dbraw/zinc/56/83/30/361568330.db2.gz HPGSRALUJBNPQZ-VXGBXAGGSA-N 2 2 272.389 0.763 20 0 CCADLP CC[C@H](Cn1cncn1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000564438885 291279265 /nfs/dbraw/zinc/27/92/65/291279265.db2.gz MLUUUPPUZIANBH-NEPJUHHUSA-N 2 2 260.345 0.858 20 0 CCADLP CCOC(=O)C[C@@H](O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000599393694 361684195 /nfs/dbraw/zinc/68/41/95/361684195.db2.gz QHKTXCXOTISNQF-TZMCWYRMSA-N 2 2 294.351 0.849 20 0 CCADLP CCOC(=O)C[C@@H](O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000599393694 361684198 /nfs/dbraw/zinc/68/41/98/361684198.db2.gz QHKTXCXOTISNQF-TZMCWYRMSA-N 2 2 294.351 0.849 20 0 CCADLP CO[C@H]1CC[C@@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000611977339 363821275 /nfs/dbraw/zinc/82/12/75/363821275.db2.gz JGDVPSCGYZRWHE-HIFRSBDPSA-N 2 2 297.443 0.944 20 0 CCADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000564659082 291292165 /nfs/dbraw/zinc/29/21/65/291292165.db2.gz OWLZFMDJJFPHKS-OLZOCXBDSA-N 2 2 285.432 0.848 20 0 CCADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000564659082 291292168 /nfs/dbraw/zinc/29/21/68/291292168.db2.gz OWLZFMDJJFPHKS-OLZOCXBDSA-N 2 2 285.432 0.848 20 0 CCADLP C[C@H](NC(=O)N[C@@]1(C)CC[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000612879009 364031957 /nfs/dbraw/zinc/03/19/57/364031957.db2.gz QFBBNSFIKTYFNO-OBJOEFQTSA-N 2 2 284.404 0.147 20 0 CCADLP CC(C)COC[C@@H](O)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000564792663 291300393 /nfs/dbraw/zinc/30/03/93/291300393.db2.gz OYQGVSXMSVFSEL-NEPJUHHUSA-N 2 2 267.373 0.890 20 0 CCADLP CC(C)COC[C@@H](O)C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000564792663 291300396 /nfs/dbraw/zinc/30/03/96/291300396.db2.gz OYQGVSXMSVFSEL-NEPJUHHUSA-N 2 2 267.373 0.890 20 0 CCADLP C[C@]1(NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC[NH2+]C1 ZINC000612909164 364041568 /nfs/dbraw/zinc/04/15/68/364041568.db2.gz KHZYDJOOFGLPGV-RNCFNFMXSA-N 2 2 263.345 0.318 20 0 CCADLP C[C@]1(NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC[NH2+]C1 ZINC000612909164 364041569 /nfs/dbraw/zinc/04/15/69/364041569.db2.gz KHZYDJOOFGLPGV-RNCFNFMXSA-N 2 2 263.345 0.318 20 0 CCADLP O=C(NCCn1cc[nH+]c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000564787400 291299493 /nfs/dbraw/zinc/29/94/93/291299493.db2.gz KXLSPCAPLBPNFC-TXEJJXNPSA-N 2 2 263.345 0.419 20 0 CCADLP Cc1cc(NC(=O)CC[N@H+]2C[C@@H]([NH3+])C[C@H]2C)no1 ZINC000631858766 370721306 /nfs/dbraw/zinc/72/13/06/370721306.db2.gz DJCUQXUNLKWKAA-SCZZXKLOSA-N 2 2 252.318 0.155 20 0 CCADLP Cc1cc(NC(=O)CC[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)no1 ZINC000631858766 370721310 /nfs/dbraw/zinc/72/13/10/370721310.db2.gz DJCUQXUNLKWKAA-SCZZXKLOSA-N 2 2 252.318 0.155 20 0 CCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCC([NH2+]CCO)CC1 ZINC000631865856 370725925 /nfs/dbraw/zinc/72/59/25/370725925.db2.gz IIMXTHKXXBKEBR-CYBMUJFWSA-N 2 2 283.416 0.434 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)NC1CCOCC1 ZINC000631885831 370736283 /nfs/dbraw/zinc/73/62/83/370736283.db2.gz BOKOTUDQYIVHAI-TZMCWYRMSA-N 2 2 281.400 0.356 20 0 CCADLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)NC1CCOCC1 ZINC000631885831 370736290 /nfs/dbraw/zinc/73/62/90/370736290.db2.gz BOKOTUDQYIVHAI-TZMCWYRMSA-N 2 2 281.400 0.356 20 0 CCADLP C[C@@H]1CN(S(=O)(=O)CC2([NH+](C)C)CC2)[C@H](C)C[NH2+]1 ZINC000631929811 370764255 /nfs/dbraw/zinc/76/42/55/370764255.db2.gz OUCFJAXHFKNLGO-GHMZBOCLSA-N 2 2 275.418 0.093 20 0 CCADLP CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631888377 370738048 /nfs/dbraw/zinc/73/80/48/370738048.db2.gz YMZBUTLEOVBEOO-RWMBFGLXSA-N 2 2 253.390 0.975 20 0 CCADLP CC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631888377 370738054 /nfs/dbraw/zinc/73/80/54/370738054.db2.gz YMZBUTLEOVBEOO-RWMBFGLXSA-N 2 2 253.390 0.975 20 0 CCADLP CS(=O)(=O)CCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631887128 370738404 /nfs/dbraw/zinc/73/84/04/370738404.db2.gz MHDSEZQNPJVIPH-NEPJUHHUSA-N 2 2 260.403 0.495 20 0 CCADLP CS(=O)(=O)CCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631887128 370738409 /nfs/dbraw/zinc/73/84/09/370738409.db2.gz MHDSEZQNPJVIPH-NEPJUHHUSA-N 2 2 260.403 0.495 20 0 CCADLP C[C@H](CO)CCC[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000564850903 291307261 /nfs/dbraw/zinc/30/72/61/291307261.db2.gz DEYAKKBTAOIGKO-XQLPTFJDSA-N 2 2 288.432 0.455 20 0 CCADLP C[C@H](CO)CCC[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000564850903 291307262 /nfs/dbraw/zinc/30/72/62/291307262.db2.gz DEYAKKBTAOIGKO-XQLPTFJDSA-N 2 2 288.432 0.455 20 0 CCADLP CC1=CCN(CC[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000564870438 291309152 /nfs/dbraw/zinc/30/91/52/291309152.db2.gz AORQRPRSEIRJCS-HNNXBMFYSA-N 2 2 267.417 0.683 20 0 CCADLP CC1=CCN(CC[NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000564870438 291309155 /nfs/dbraw/zinc/30/91/55/291309155.db2.gz AORQRPRSEIRJCS-HNNXBMFYSA-N 2 2 267.417 0.683 20 0 CCADLP O=C([C@@H]1CCc2[nH+]c[nH]c2C1)N1CC[NH+]2CCC1CC2 ZINC000613862008 364416790 /nfs/dbraw/zinc/41/67/90/364416790.db2.gz RXQKFAXUIQHLLE-LLVKDONJSA-N 2 2 274.368 0.821 20 0 CCADLP O=C([C@@H]1CCc2[nH]c[nH+]c2C1)N1CC[NH+]2CCC1CC2 ZINC000613862008 364416794 /nfs/dbraw/zinc/41/67/94/364416794.db2.gz RXQKFAXUIQHLLE-LLVKDONJSA-N 2 2 274.368 0.821 20 0 CCADLP C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCc3c[nH+]cn3C1)C2 ZINC000614035110 364469383 /nfs/dbraw/zinc/46/93/83/364469383.db2.gz MSVDJMDKQQKJRW-GFCCVEGCSA-N 2 2 274.368 0.610 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000614065358 364482350 /nfs/dbraw/zinc/48/23/50/364482350.db2.gz NARXTQSXGKLBGX-AWEZNQCLSA-N 2 2 280.372 0.257 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000614065358 364482356 /nfs/dbraw/zinc/48/23/56/364482356.db2.gz NARXTQSXGKLBGX-AWEZNQCLSA-N 2 2 280.372 0.257 20 0 CCADLP Cn1cc(N2CC[C@H]([N@@H+]3C[C@@H]4CCC[C@@]4([NH3+])C3)C2=O)cn1 ZINC000621782132 366866796 /nfs/dbraw/zinc/86/67/96/366866796.db2.gz MVTMVUDFIMIUGD-CORIIIEPSA-N 2 2 289.383 0.339 20 0 CCADLP Cn1cc(N2CC[C@H]([N@H+]3C[C@@H]4CCC[C@@]4([NH3+])C3)C2=O)cn1 ZINC000621782132 366866800 /nfs/dbraw/zinc/86/68/00/366866800.db2.gz MVTMVUDFIMIUGD-CORIIIEPSA-N 2 2 289.383 0.339 20 0 CCADLP Cc1[nH+]c2ccc(C(=O)N[C@@H](CO)C[NH+](C)C)cc2n1C ZINC000614847498 364746741 /nfs/dbraw/zinc/74/67/41/364746741.db2.gz MDRYLCQSYJFMJO-GFCCVEGCSA-N 2 2 290.367 0.534 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000564947228 291323671 /nfs/dbraw/zinc/32/36/71/291323671.db2.gz BJYLMABLKRICSO-VIFPVBQESA-N 2 2 263.332 0.817 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615536394 364995942 /nfs/dbraw/zinc/99/59/42/364995942.db2.gz IPAFXSMWSZTPNW-HUUCEWRRSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615536394 364995947 /nfs/dbraw/zinc/99/59/47/364995947.db2.gz IPAFXSMWSZTPNW-HUUCEWRRSA-N 2 2 295.427 0.794 20 0 CCADLP Cn1c[nH+]cc1CCC[NH+]1CCN(C(C)(C)C(N)=O)CC1 ZINC000565155875 291348025 /nfs/dbraw/zinc/34/80/25/291348025.db2.gz GKTSWQUONZOSNE-UHFFFAOYSA-N 2 2 293.415 0.234 20 0 CCADLP Cn1c[nH+]cc1CCCN1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000565155875 291348026 /nfs/dbraw/zinc/34/80/26/291348026.db2.gz GKTSWQUONZOSNE-UHFFFAOYSA-N 2 2 293.415 0.234 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1[C@H](C)O ZINC000565162601 291350162 /nfs/dbraw/zinc/35/01/62/291350162.db2.gz JHGJOEUYHTUMBD-IHRRRGAJSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1[C@H](C)O ZINC000565162601 291350164 /nfs/dbraw/zinc/35/01/64/291350164.db2.gz JHGJOEUYHTUMBD-IHRRRGAJSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1[C@H](C)O ZINC000565162601 291350166 /nfs/dbraw/zinc/35/01/66/291350166.db2.gz JHGJOEUYHTUMBD-IHRRRGAJSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1[C@H](C)O ZINC000565162601 291350168 /nfs/dbraw/zinc/35/01/68/291350168.db2.gz JHGJOEUYHTUMBD-IHRRRGAJSA-N 2 2 274.405 0.161 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000565157066 291348425 /nfs/dbraw/zinc/34/84/25/291348425.db2.gz LKJNVVDIKZIKAJ-CYBMUJFWSA-N 2 2 262.357 0.659 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000565157066 291348426 /nfs/dbraw/zinc/34/84/26/291348426.db2.gz LKJNVVDIKZIKAJ-CYBMUJFWSA-N 2 2 262.357 0.659 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)NC(=O)Cn1cc[nH+]c1 ZINC000565200429 291358066 /nfs/dbraw/zinc/35/80/66/291358066.db2.gz RFZXDTPMCRPOMO-GFCCVEGCSA-N 2 2 268.361 0.092 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000512448058 241222198 /nfs/dbraw/zinc/22/21/98/241222198.db2.gz PQABREWJAHAUMP-MELADBBJSA-N 2 2 298.431 0.441 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC(CC2CC2)C1 ZINC000621992517 366972674 /nfs/dbraw/zinc/97/26/74/366972674.db2.gz ZDZHOAOOIFVZGN-CQSZACIVSA-N 2 2 256.390 0.657 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC(CC2CC2)C1 ZINC000621992517 366972677 /nfs/dbraw/zinc/97/26/77/366972677.db2.gz ZDZHOAOOIFVZGN-CQSZACIVSA-N 2 2 256.390 0.657 20 0 CCADLP Cc1cc(C)c(CNC(=O)C(=O)N(C)CCC[NH3+])c[nH+]1 ZINC000565255865 291367952 /nfs/dbraw/zinc/36/79/52/291367952.db2.gz XGYGGOJBKJPYCN-UHFFFAOYSA-N 2 2 278.356 0.122 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2ccc3c(c2)OCO3)[C@H](C[NH3+])C1 ZINC000566200522 291374861 /nfs/dbraw/zinc/37/48/61/291374861.db2.gz YQQGXTKBCAUZQK-GFCCVEGCSA-N 2 2 291.351 0.059 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2ccc3c(c2)OCO3)[C@H](C[NH3+])C1 ZINC000566200522 291374862 /nfs/dbraw/zinc/37/48/62/291374862.db2.gz YQQGXTKBCAUZQK-GFCCVEGCSA-N 2 2 291.351 0.059 20 0 CCADLP C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335547299 212247588 /nfs/dbraw/zinc/24/75/88/212247588.db2.gz DCCSUIOZJJXNFY-GXTWGEPZSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]C[C@H]2CCC[C@@H]2O)C[C@@H](C)O1 ZINC000566231653 291379882 /nfs/dbraw/zinc/37/98/82/291379882.db2.gz DNZQLAMAHZXNPZ-ZSAUSMIDSA-N 2 2 286.416 0.207 20 0 CCADLP CC(C)([NH3+])c1noc(C[NH+]2CCC3(CC[NH2+]C3)CC2)n1 ZINC000566242041 291382353 /nfs/dbraw/zinc/38/23/53/291382353.db2.gz FDENUUXYHAGCMB-UHFFFAOYSA-N 3 2 279.388 0.839 20 0 CCADLP C[C@]1(F)C[NH2+]CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000623178931 367467688 /nfs/dbraw/zinc/46/76/88/367467688.db2.gz NNOIDCWWYBVPBN-RISCZKNCSA-N 2 2 280.347 0.606 20 0 CCADLP Cc1c[nH]c(C[N@H+](C)CCCN2CC[NH+](C)CC2)n1 ZINC000623086666 367446256 /nfs/dbraw/zinc/44/62/56/367446256.db2.gz CWJUSAMJDJAMKS-UHFFFAOYSA-N 2 2 265.405 0.787 20 0 CCADLP Cc1c[nH]c(C[N@@H+](C)CCCN2CC[NH+](C)CC2)n1 ZINC000623086666 367446262 /nfs/dbraw/zinc/44/62/62/367446262.db2.gz CWJUSAMJDJAMKS-UHFFFAOYSA-N 2 2 265.405 0.787 20 0 CCADLP C[N@H+](CC(=O)N[C@H]1CCn2c[nH+]cc2C1)[C@@H]1CCSC1 ZINC000623306644 367526520 /nfs/dbraw/zinc/52/65/20/367526520.db2.gz RJQCVNFUPJEYDA-NWDGAFQWSA-N 2 2 294.424 0.751 20 0 CCADLP C[N@@H+](CC(=O)N[C@H]1CCn2c[nH+]cc2C1)[C@@H]1CCSC1 ZINC000623306644 367526525 /nfs/dbraw/zinc/52/65/25/367526525.db2.gz RJQCVNFUPJEYDA-NWDGAFQWSA-N 2 2 294.424 0.751 20 0 CCADLP C[C@@H](C(=O)N[C@@H]1CCn2c[nH+]cc2C1)[NH+]1CCSCC1 ZINC000623308010 367529089 /nfs/dbraw/zinc/52/90/89/367529089.db2.gz SNMVMGJBSDGGEK-NWDGAFQWSA-N 2 2 294.424 0.751 20 0 CCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000623381509 367551732 /nfs/dbraw/zinc/55/17/32/367551732.db2.gz WZZFODLDJSRRMF-XBFCOCLRSA-N 2 2 265.401 0.785 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]CCCS(C)(=O)=O)CC1(C)C ZINC000623401572 367555341 /nfs/dbraw/zinc/55/53/41/367555341.db2.gz FATCBSLLIZZLPG-NSHDSACASA-N 2 2 262.419 0.884 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]CCCS(C)(=O)=O)CC1(C)C ZINC000623401572 367555342 /nfs/dbraw/zinc/55/53/42/367555342.db2.gz FATCBSLLIZZLPG-NSHDSACASA-N 2 2 262.419 0.884 20 0 CCADLP C[C@]1(CNC(=O)NCC[NH+]2CCOCC2)CCC[NH2+]C1 ZINC000333138464 291385275 /nfs/dbraw/zinc/38/52/75/291385275.db2.gz IWIDTWNHRVIDHY-AWEZNQCLSA-N 2 2 284.404 0.008 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623266336 367504287 /nfs/dbraw/zinc/50/42/87/367504287.db2.gz YJRUWFZFZNBZKY-TUAOUCFPSA-N 2 2 262.357 0.797 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623266336 367504291 /nfs/dbraw/zinc/50/42/91/367504291.db2.gz YJRUWFZFZNBZKY-TUAOUCFPSA-N 2 2 262.357 0.797 20 0 CCADLP C[C@]1(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CCOC1 ZINC000422735391 291390912 /nfs/dbraw/zinc/39/09/12/291390912.db2.gz UPGQQBTXCKTYDB-MGPQQGTHSA-N 2 2 254.374 0.770 20 0 CCADLP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623706730 367624982 /nfs/dbraw/zinc/62/49/82/367624982.db2.gz KUQILHGTOYMROO-OLZOCXBDSA-N 2 2 286.420 0.347 20 0 CCADLP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623706730 367624986 /nfs/dbraw/zinc/62/49/86/367624986.db2.gz KUQILHGTOYMROO-OLZOCXBDSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@@H](CNC(=O)NC[C@H]1COCC[N@@H+]1C)[NH+](C)C1CC1 ZINC000623725789 367636574 /nfs/dbraw/zinc/63/65/74/367636574.db2.gz KNJVJJBQFVURKE-AAEUAGOBSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H](CNC(=O)NC[C@H]1COCC[N@H+]1C)[NH+](C)C1CC1 ZINC000623725789 367636578 /nfs/dbraw/zinc/63/65/78/367636578.db2.gz KNJVJJBQFVURKE-AAEUAGOBSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H](CNC(=O)NC[C@H]1COCC[NH+]1C)[N@H+](C)C1CC1 ZINC000623725789 367636581 /nfs/dbraw/zinc/63/65/81/367636581.db2.gz KNJVJJBQFVURKE-AAEUAGOBSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H](CNC(=O)NC[C@H]1COCC[NH+]1C)[N@@H+](C)C1CC1 ZINC000623725789 367636585 /nfs/dbraw/zinc/63/65/85/367636585.db2.gz KNJVJJBQFVURKE-AAEUAGOBSA-N 2 2 284.404 0.099 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000624324550 367833198 /nfs/dbraw/zinc/83/31/98/367833198.db2.gz ODDOMFHJKVLEQR-OLZOCXBDSA-N 2 2 298.431 0.489 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000624324550 367833202 /nfs/dbraw/zinc/83/32/02/367833202.db2.gz ODDOMFHJKVLEQR-OLZOCXBDSA-N 2 2 298.431 0.489 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000624324550 367833205 /nfs/dbraw/zinc/83/32/05/367833205.db2.gz ODDOMFHJKVLEQR-OLZOCXBDSA-N 2 2 298.431 0.489 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000624324550 367833206 /nfs/dbraw/zinc/83/32/06/367833206.db2.gz ODDOMFHJKVLEQR-OLZOCXBDSA-N 2 2 298.431 0.489 20 0 CCADLP COc1c(C)[nH+]c(C2CC2)nc1NCC[N@@H+]1CC[C@H](O)C1 ZINC000624777547 367992895 /nfs/dbraw/zinc/99/28/95/367992895.db2.gz TYOGPDJPMHCXEX-LBPRGKRZSA-N 2 2 292.383 0.571 20 0 CCADLP COc1c(C)[nH+]c(C2CC2)nc1NCC[N@H+]1CC[C@H](O)C1 ZINC000624777547 367992899 /nfs/dbraw/zinc/99/28/99/367992899.db2.gz TYOGPDJPMHCXEX-LBPRGKRZSA-N 2 2 292.383 0.571 20 0 CCADLP CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@H]2COCC[NH+]2C)C[C@@H]1C ZINC000624734422 367974126 /nfs/dbraw/zinc/97/41/26/367974126.db2.gz RYCFOOPAXDVTFP-IHRRRGAJSA-N 2 2 298.431 0.441 20 0 CCADLP CC[N@H+]1C[C@H](C)N(C(=O)NC[C@H]2COCC[NH+]2C)C[C@@H]1C ZINC000624734422 367974135 /nfs/dbraw/zinc/97/41/35/367974135.db2.gz RYCFOOPAXDVTFP-IHRRRGAJSA-N 2 2 298.431 0.441 20 0 CCADLP CC[NH+]1C[C@H](C)N(C(=O)NC[C@H]2COCC[N@@H+]2C)C[C@@H]1C ZINC000624734422 367974141 /nfs/dbraw/zinc/97/41/41/367974141.db2.gz RYCFOOPAXDVTFP-IHRRRGAJSA-N 2 2 298.431 0.441 20 0 CCADLP CC[NH+]1C[C@H](C)N(C(=O)NC[C@H]2COCC[N@H+]2C)C[C@@H]1C ZINC000624734422 367974146 /nfs/dbraw/zinc/97/41/46/367974146.db2.gz RYCFOOPAXDVTFP-IHRRRGAJSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCc2c(nnn2C)C1 ZINC000656201214 412764105 /nfs/dbraw/zinc/76/41/05/412764105.db2.gz KRZKRULPCZPPFR-GRYCIOLGSA-N 2 2 279.388 0.029 20 0 CCADLP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000656200322 412764112 /nfs/dbraw/zinc/76/41/12/412764112.db2.gz LSGRZPHWMXVWBU-BEAPCOKYSA-N 3 2 267.417 0.683 20 0 CCADLP COC[C@H](CCC[NH3+])[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000656201132 412764287 /nfs/dbraw/zinc/76/42/87/412764287.db2.gz SRIWGAYEQKZNHY-JTQLQIEISA-N 2 2 270.381 0.272 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCc1cn(C)nn1 ZINC000625222211 368105803 /nfs/dbraw/zinc/10/58/03/368105803.db2.gz PYNAWOHWHASRQC-KGLIPLIRSA-N 2 2 263.389 0.916 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCc1cn(C)nn1 ZINC000625222211 368105810 /nfs/dbraw/zinc/10/58/10/368105810.db2.gz PYNAWOHWHASRQC-KGLIPLIRSA-N 2 2 263.389 0.916 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCc1cn(C)nn1 ZINC000625222211 368105816 /nfs/dbraw/zinc/10/58/16/368105816.db2.gz PYNAWOHWHASRQC-KGLIPLIRSA-N 2 2 263.389 0.916 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCc1cn(C)nn1 ZINC000625222211 368105823 /nfs/dbraw/zinc/10/58/23/368105823.db2.gz PYNAWOHWHASRQC-KGLIPLIRSA-N 2 2 263.389 0.916 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000625191266 368095911 /nfs/dbraw/zinc/09/59/11/368095911.db2.gz WXYOVJQHTJXTOO-UHFFFAOYSA-N 2 2 272.308 0.876 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H](C)C1(F)F ZINC000625646440 368286816 /nfs/dbraw/zinc/28/68/16/368286816.db2.gz JMPPWLPCYUDSRM-TXEJJXNPSA-N 2 2 289.370 0.984 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H](C)C1(F)F ZINC000625646440 368286822 /nfs/dbraw/zinc/28/68/22/368286822.db2.gz JMPPWLPCYUDSRM-TXEJJXNPSA-N 2 2 289.370 0.984 20 0 CCADLP Cc1cc(NC(=O)NCC2([NH3+])CCOCC2)cc[nH+]1 ZINC000625874100 368354474 /nfs/dbraw/zinc/35/44/74/368354474.db2.gz QJIPWADENKUVBP-UHFFFAOYSA-N 2 2 264.329 0.441 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)C[C@H]2C[C@@H](O)C2)CC1 ZINC000626043014 368407642 /nfs/dbraw/zinc/40/76/42/368407642.db2.gz CINYKQZNYUQQOR-MELADBBJSA-N 2 2 283.416 0.242 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@H]2C[C@@H](O)C2)CC1 ZINC000626043014 368407649 /nfs/dbraw/zinc/40/76/49/368407649.db2.gz CINYKQZNYUQQOR-MELADBBJSA-N 2 2 283.416 0.242 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1CNC(C)=O ZINC000626159992 368466270 /nfs/dbraw/zinc/46/62/70/368466270.db2.gz YJSOVFKKUOELBA-KGLIPLIRSA-N 2 2 271.405 0.290 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1CNC(C)=O ZINC000626159992 368466274 /nfs/dbraw/zinc/46/62/74/368466274.db2.gz YJSOVFKKUOELBA-KGLIPLIRSA-N 2 2 271.405 0.290 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1CNC(C)=O ZINC000626159992 368466280 /nfs/dbraw/zinc/46/62/80/368466280.db2.gz YJSOVFKKUOELBA-KGLIPLIRSA-N 2 2 271.405 0.290 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1CNC(C)=O ZINC000626159992 368466285 /nfs/dbraw/zinc/46/62/85/368466285.db2.gz YJSOVFKKUOELBA-KGLIPLIRSA-N 2 2 271.405 0.290 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1[C@@H](C)C[NH+](C)C[C@@H]1C ZINC000626269796 368503065 /nfs/dbraw/zinc/50/30/65/368503065.db2.gz CLUOAXRLTBOXDZ-RYUDHWBXSA-N 2 2 250.346 0.743 20 0 CCADLP O[C@@H]1C[C@H]2CN(c3cc(NCC4CC4)[nH+]cn3)CC[N@H+]2C1 ZINC000656218942 412770483 /nfs/dbraw/zinc/77/04/83/412770483.db2.gz HEYVSTZPPOSECL-QWHCGFSZSA-N 2 2 289.383 0.554 20 0 CCADLP O[C@@H]1C[C@H]2CN(c3cc(NCC4CC4)[nH+]cn3)CC[N@@H+]2C1 ZINC000656218942 412770479 /nfs/dbraw/zinc/77/04/79/412770479.db2.gz HEYVSTZPPOSECL-QWHCGFSZSA-N 2 2 289.383 0.554 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000626865123 368665127 /nfs/dbraw/zinc/66/51/27/368665127.db2.gz PGNQKKVVJFYBGL-WCQYABFASA-N 2 2 290.367 0.894 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000627000673 368727092 /nfs/dbraw/zinc/72/70/92/368727092.db2.gz UOPBDLNBPKXWKT-CMPLNLGQSA-N 2 2 273.340 0.884 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)N(C)CCOCC[NH3+] ZINC000626934741 368686084 /nfs/dbraw/zinc/68/60/84/368686084.db2.gz MPTZIZQVVUFQKE-UHFFFAOYSA-N 2 2 295.387 0.264 20 0 CCADLP CCN(CC[NH3+])C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000627051857 368757600 /nfs/dbraw/zinc/75/76/00/368757600.db2.gz IFVQDQASSVEHPQ-ZJUUUORDSA-N 2 2 251.334 0.879 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000627084822 368783144 /nfs/dbraw/zinc/78/31/44/368783144.db2.gz FIKIIXYMSXEVNL-OCCSQVGLSA-N 2 2 284.404 0.006 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000627084822 368783148 /nfs/dbraw/zinc/78/31/48/368783148.db2.gz FIKIIXYMSXEVNL-OCCSQVGLSA-N 2 2 284.404 0.006 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)N(C)Cc2c[nH+]c[nH]2)C[NH2+]1 ZINC000627209527 368881617 /nfs/dbraw/zinc/88/16/17/368881617.db2.gz GFKCFWVHEKDYAF-NXEZZACHSA-N 2 2 251.334 0.692 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)N(C)Cc2c[nH]c[nH+]2)C[NH2+]1 ZINC000627209527 368881622 /nfs/dbraw/zinc/88/16/22/368881622.db2.gz GFKCFWVHEKDYAF-NXEZZACHSA-N 2 2 251.334 0.692 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627182609 368851692 /nfs/dbraw/zinc/85/16/92/368851692.db2.gz BDRXQUBCGKYPCB-AVGNSLFASA-N 2 2 284.404 0.228 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000627182609 368851698 /nfs/dbraw/zinc/85/16/98/368851698.db2.gz BDRXQUBCGKYPCB-AVGNSLFASA-N 2 2 284.404 0.228 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[NH+](CCCF)CC1 ZINC000627958633 369146894 /nfs/dbraw/zinc/14/68/94/369146894.db2.gz BTRNSZPVLYORJK-UHFFFAOYSA-N 2 2 254.309 0.387 20 0 CCADLP CC[C@@H](O)C[NH+]1CCN(Cc2[nH]cc(C)[nH+]2)CC1 ZINC000628168725 369198283 /nfs/dbraw/zinc/19/82/83/369198283.db2.gz FZZMFBCNIAZXTL-GFCCVEGCSA-N 2 2 252.362 0.607 20 0 CCADLP Cc1[nH]c(CN(CC[NH+](C)C)CC(=O)N(C)C)[nH+]c1C ZINC000628338496 369243744 /nfs/dbraw/zinc/24/37/44/369243744.db2.gz MKVOCFYVTJDRPV-UHFFFAOYSA-N 2 2 281.404 0.478 20 0 CCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@@H]1COCC[N@H+]1C)C2 ZINC000628915512 369454187 /nfs/dbraw/zinc/45/41/87/369454187.db2.gz XBWWSECQCFLMNJ-TZMCWYRMSA-N 2 2 292.383 0.201 20 0 CCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@@H]1COCC[N@@H+]1C)C2 ZINC000628915512 369454190 /nfs/dbraw/zinc/45/41/90/369454190.db2.gz XBWWSECQCFLMNJ-TZMCWYRMSA-N 2 2 292.383 0.201 20 0 CCADLP COc1ccc(C[NH2+]CC2([NH3+])CCOCC2)cc1O ZINC000629388668 369651232 /nfs/dbraw/zinc/65/12/32/369651232.db2.gz VGHQDENCIKNSEY-UHFFFAOYSA-N 2 2 266.341 0.998 20 0 CCADLP CN1CC[C@H]([N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C1=O ZINC000629564062 369710719 /nfs/dbraw/zinc/71/07/19/369710719.db2.gz RETPVWWFBLCVEP-UTLUCORTSA-N 2 2 279.306 0.676 20 0 CCADLP CN1CC[C@H]([N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C1=O ZINC000629564062 369710724 /nfs/dbraw/zinc/71/07/24/369710724.db2.gz RETPVWWFBLCVEP-UTLUCORTSA-N 2 2 279.306 0.676 20 0 CCADLP CCCNC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629569342 369714790 /nfs/dbraw/zinc/71/47/90/369714790.db2.gz WVOWPUHVKVDFML-UWVGGRQHSA-N 2 2 281.322 0.972 20 0 CCADLP CCCNC(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629569342 369714796 /nfs/dbraw/zinc/71/47/96/369714796.db2.gz WVOWPUHVKVDFML-UWVGGRQHSA-N 2 2 281.322 0.972 20 0 CCADLP C[NH2+]CCOCC[N@H+](C)Cc1nnc(C2CCC2)n1C ZINC000629572532 369717823 /nfs/dbraw/zinc/71/78/23/369717823.db2.gz WGTJNXDCOZBSEW-UHFFFAOYSA-N 2 2 281.404 0.750 20 0 CCADLP C[NH2+]CCOCC[N@@H+](C)Cc1nnc(C2CCC2)n1C ZINC000629572532 369717828 /nfs/dbraw/zinc/71/78/28/369717828.db2.gz WGTJNXDCOZBSEW-UHFFFAOYSA-N 2 2 281.404 0.750 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000629512721 369687701 /nfs/dbraw/zinc/68/77/01/369687701.db2.gz DYBGKBARWPCKLK-SRVKXCTJSA-N 3 2 256.394 0.042 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000629512721 369687707 /nfs/dbraw/zinc/68/77/07/369687707.db2.gz DYBGKBARWPCKLK-SRVKXCTJSA-N 3 2 256.394 0.042 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000629515712 369689408 /nfs/dbraw/zinc/68/94/08/369689408.db2.gz VFQMVBFYKCLKPE-RDBSUJKOSA-N 3 2 282.432 0.433 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000629515712 369689412 /nfs/dbraw/zinc/68/94/12/369689412.db2.gz VFQMVBFYKCLKPE-RDBSUJKOSA-N 3 2 282.432 0.433 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]CC2([NH3+])CCOCC2)[C@@H]2CCC[C@H]21 ZINC000629521286 369690561 /nfs/dbraw/zinc/69/05/61/369690561.db2.gz PHDYNYOKJNATNV-MELADBBJSA-N 3 2 267.417 0.957 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]CC2([NH3+])CCOCC2)[C@@H]2CCC[C@H]21 ZINC000629521286 369690563 /nfs/dbraw/zinc/69/05/63/369690563.db2.gz PHDYNYOKJNATNV-MELADBBJSA-N 3 2 267.417 0.957 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1CCn2cc[nH+]c2C1)C[NH+]1CCCC1 ZINC000629577767 369721316 /nfs/dbraw/zinc/72/13/16/369721316.db2.gz UFXYAKHOZZYPOM-OLZOCXBDSA-N 3 2 264.373 0.244 20 0 CCADLP C[NH2+]CCOCC[NH2+][C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000629530977 369692481 /nfs/dbraw/zinc/69/24/81/369692481.db2.gz WOWRVEMSFVVCMV-CYBMUJFWSA-N 2 2 293.346 0.859 20 0 CCADLP [NH3+]C[C@@H]([NH2+]CC(=O)N1CCOCC1)C1CCCCC1 ZINC000629537204 369696126 /nfs/dbraw/zinc/69/61/26/369696126.db2.gz OBODBVCDAIUVRH-CYBMUJFWSA-N 2 2 269.389 0.342 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc[nH]c1=O ZINC000629544218 369697364 /nfs/dbraw/zinc/69/73/64/369697364.db2.gz IEHWTWGLCAUWTK-JQWIXIFHSA-N 2 2 251.330 0.644 20 0 CCADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCN1CC[C@@H](O)C1 ZINC000629548889 369701290 /nfs/dbraw/zinc/70/12/90/369701290.db2.gz ZWTHRYZXFYZANK-FVQBIDKESA-N 2 2 277.412 0.601 20 0 CCADLP O=C1[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CCN1C1CCC1 ZINC000629618043 369742645 /nfs/dbraw/zinc/74/26/45/369742645.db2.gz SIBQKDUVHQJIPI-UONOGXRCSA-N 2 2 281.400 0.186 20 0 CCADLP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@H](O)C(F)(F)F ZINC000629583942 369728650 /nfs/dbraw/zinc/72/86/50/369728650.db2.gz LUEJSVBQXLZEBH-VWYCJHECSA-N 2 2 284.322 0.735 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629593197 369732186 /nfs/dbraw/zinc/73/21/86/369732186.db2.gz IGBFWKKIZGIHLA-SOUVJXGZSA-N 2 2 267.417 0.639 20 0 CCADLP COC[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000629604256 369736703 /nfs/dbraw/zinc/73/67/03/369736703.db2.gz ILCAWSPCTSVWDK-KGLIPLIRSA-N 2 2 256.390 0.990 20 0 CCADLP COC[C@@H](O)C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000629604256 369736708 /nfs/dbraw/zinc/73/67/08/369736708.db2.gz ILCAWSPCTSVWDK-KGLIPLIRSA-N 2 2 256.390 0.990 20 0 CCADLP C[C@H](CC(=O)NCC[N@@H+]1CC[C@H](O)C1)n1cc[nH+]c1 ZINC000629918089 369836805 /nfs/dbraw/zinc/83/68/05/369836805.db2.gz XCBZBOVVYAUQBE-NEPJUHHUSA-N 2 2 266.345 0.017 20 0 CCADLP C[C@H](CC(=O)NCC[N@H+]1CC[C@H](O)C1)n1cc[nH+]c1 ZINC000629918089 369836808 /nfs/dbraw/zinc/83/68/08/369836808.db2.gz XCBZBOVVYAUQBE-NEPJUHHUSA-N 2 2 266.345 0.017 20 0 CCADLP C[N@H+](CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C1CCC1 ZINC000629964558 369857521 /nfs/dbraw/zinc/85/75/21/369857521.db2.gz DCMFIQHXIMWTOU-OAHLLOKOSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@@H+](CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C1CCC1 ZINC000629964558 369857527 /nfs/dbraw/zinc/85/75/27/369857527.db2.gz DCMFIQHXIMWTOU-OAHLLOKOSA-N 2 2 295.427 0.794 20 0 CCADLP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@@H]1C[NH+](C)CCO1 ZINC000629974997 369864126 /nfs/dbraw/zinc/86/41/26/369864126.db2.gz NOPALZIKJCNUQJ-YPMHNXCESA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)[C@@H]1C[NH+](C)CCO1 ZINC000629974997 369864128 /nfs/dbraw/zinc/86/41/28/369864128.db2.gz NOPALZIKJCNUQJ-YPMHNXCESA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H](NC(=O)C[NH+](C)C1CCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000629974997 369864130 /nfs/dbraw/zinc/86/41/30/369864130.db2.gz NOPALZIKJCNUQJ-YPMHNXCESA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H](NC(=O)C[NH+](C)C1CCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000629974997 369864131 /nfs/dbraw/zinc/86/41/31/369864131.db2.gz NOPALZIKJCNUQJ-YPMHNXCESA-N 2 2 269.389 0.306 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC000629986972 369873248 /nfs/dbraw/zinc/87/32/48/369873248.db2.gz NMDXAXFEWPKUSM-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC000629986972 369873250 /nfs/dbraw/zinc/87/32/50/369873250.db2.gz NMDXAXFEWPKUSM-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP OC[C@@H]1CCCN(c2cc(NC3CC[NH2+]CC3)[nH+]cn2)C1 ZINC000630549133 370162393 /nfs/dbraw/zinc/16/23/93/370162393.db2.gz BJIRVCDMKZCLKW-GFCCVEGCSA-N 2 2 291.399 0.849 20 0 CCADLP OC[C@@H]1CCCN(c2cc(NC3CC[NH2+]CC3)nc[nH+]2)C1 ZINC000630549133 370162400 /nfs/dbraw/zinc/16/24/00/370162400.db2.gz BJIRVCDMKZCLKW-GFCCVEGCSA-N 2 2 291.399 0.849 20 0 CCADLP Cc1nc(N2CCN(c3cc[nH+]cc3)CC2)nc(N)[nH+]1 ZINC000631045572 370368296 /nfs/dbraw/zinc/36/82/96/370368296.db2.gz BKUYRJCUKGGALL-UHFFFAOYSA-N 2 2 271.328 0.314 20 0 CCADLP Cc1nc(N)nc(N2CCN(c3cc[nH+]cc3)CC2)[nH+]1 ZINC000631045572 370368299 /nfs/dbraw/zinc/36/82/99/370368299.db2.gz BKUYRJCUKGGALL-UHFFFAOYSA-N 2 2 271.328 0.314 20 0 CCADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)C1 ZINC000631067955 370374532 /nfs/dbraw/zinc/37/45/32/370374532.db2.gz CESCIABQOCMYSC-UONOGXRCSA-N 2 2 293.415 0.746 20 0 CCADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)C1 ZINC000631067955 370374536 /nfs/dbraw/zinc/37/45/36/370374536.db2.gz CESCIABQOCMYSC-UONOGXRCSA-N 2 2 293.415 0.746 20 0 CCADLP CC[N@H+](C)C[C@@H]1CCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000631136539 370395519 /nfs/dbraw/zinc/39/55/19/370395519.db2.gz NTUMIDKEYFIIML-JTQLQIEISA-N 2 2 250.350 0.371 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000631136539 370395523 /nfs/dbraw/zinc/39/55/23/370395523.db2.gz NTUMIDKEYFIIML-JTQLQIEISA-N 2 2 250.350 0.371 20 0 CCADLP CC[N@H+](C)C[C@@H]1CCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000631136539 370395527 /nfs/dbraw/zinc/39/55/27/370395527.db2.gz NTUMIDKEYFIIML-JTQLQIEISA-N 2 2 250.350 0.371 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000631136539 370395529 /nfs/dbraw/zinc/39/55/29/370395529.db2.gz NTUMIDKEYFIIML-JTQLQIEISA-N 2 2 250.350 0.371 20 0 CCADLP C[C@H](C[NH2+]Cc1cn(C[C@H]2CCOC2)nn1)C[NH+](C)C ZINC000631139897 370397306 /nfs/dbraw/zinc/39/73/06/370397306.db2.gz KTFGDSBAMFJIMX-CHWSQXEVSA-N 2 2 281.404 0.602 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+]2CCN(C)CC2)CC[N@@H+]1C ZINC000631289150 370457583 /nfs/dbraw/zinc/45/75/83/370457583.db2.gz PHLAXZYCJWZIDZ-SOUVJXGZSA-N 2 2 296.459 0.469 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+]2CCN(C)CC2)CC[N@H+]1C ZINC000631289150 370457585 /nfs/dbraw/zinc/45/75/85/370457585.db2.gz PHLAXZYCJWZIDZ-SOUVJXGZSA-N 2 2 296.459 0.469 20 0 CCADLP Cc1nc(N)c(CNc2nc(C)[nH+]c(C)c2C)c[nH+]1 ZINC000631315813 370470909 /nfs/dbraw/zinc/47/09/09/370470909.db2.gz YDAPZPWPQPJGIZ-UHFFFAOYSA-N 2 2 258.329 0.947 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000633086445 371390877 /nfs/dbraw/zinc/39/08/77/371390877.db2.gz UABRBAQHEOYTPP-LLVKDONJSA-N 2 2 265.361 0.893 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000633086445 371390882 /nfs/dbraw/zinc/39/08/82/371390882.db2.gz UABRBAQHEOYTPP-LLVKDONJSA-N 2 2 265.361 0.893 20 0 CCADLP Cc1[nH]c2ccc(-n3cc(CN4CC[NH2+]CC4)nn3)cc2[nH+]1 ZINC000656439296 412793874 /nfs/dbraw/zinc/79/38/74/412793874.db2.gz MLJLEIQSMNVCQZ-UHFFFAOYSA-N 2 2 297.366 0.857 20 0 CCADLP Cc1[nH]c2cc(-n3cc(CN4CC[NH2+]CC4)nn3)ccc2[nH+]1 ZINC000656439296 412793879 /nfs/dbraw/zinc/79/38/79/412793879.db2.gz MLJLEIQSMNVCQZ-UHFFFAOYSA-N 2 2 297.366 0.857 20 0 CCADLP C[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000634142420 371906517 /nfs/dbraw/zinc/90/65/17/371906517.db2.gz DDDXWCQSQPSCOD-GHMZBOCLSA-N 2 2 277.372 0.660 20 0 CCADLP C[N@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000634142420 371906522 /nfs/dbraw/zinc/90/65/22/371906522.db2.gz DDDXWCQSQPSCOD-GHMZBOCLSA-N 2 2 277.372 0.660 20 0 CCADLP C[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000634142420 371906524 /nfs/dbraw/zinc/90/65/24/371906524.db2.gz DDDXWCQSQPSCOD-GHMZBOCLSA-N 2 2 277.372 0.660 20 0 CCADLP C[N@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000634142420 371906531 /nfs/dbraw/zinc/90/65/31/371906531.db2.gz DDDXWCQSQPSCOD-GHMZBOCLSA-N 2 2 277.372 0.660 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640043556 376209592 /nfs/dbraw/zinc/20/95/92/376209592.db2.gz ISQTVEIJYPEDOZ-HBNTYKKESA-N 2 2 284.322 0.402 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640043556 376209593 /nfs/dbraw/zinc/20/95/93/376209593.db2.gz ISQTVEIJYPEDOZ-HBNTYKKESA-N 2 2 284.322 0.402 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640043556 376209598 /nfs/dbraw/zinc/20/95/98/376209598.db2.gz ISQTVEIJYPEDOZ-HBNTYKKESA-N 2 2 284.322 0.402 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640043556 376209600 /nfs/dbraw/zinc/20/96/00/376209600.db2.gz ISQTVEIJYPEDOZ-HBNTYKKESA-N 2 2 284.322 0.402 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](O)C[C@](C)(O)C2CC2)n1C ZINC000634704348 372149308 /nfs/dbraw/zinc/14/93/08/372149308.db2.gz JXAGSESETFKFKE-HIFRSBDPSA-N 2 2 296.415 0.488 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCO[C@@H]2CCC[C@@H]21 ZINC000634738020 372179777 /nfs/dbraw/zinc/17/97/77/372179777.db2.gz FSKBMQXYYWMCSL-GRYCIOLGSA-N 2 2 255.362 0.045 20 0 CCADLP OC[C@@H]1CCCN(c2cc(N3CCC[NH2+]CC3)nc[nH+]2)C1 ZINC000634807575 372247265 /nfs/dbraw/zinc/24/72/65/372247265.db2.gz SWBBGADCRYLTBK-CYBMUJFWSA-N 2 2 291.399 0.485 20 0 CCADLP Cn1ncc2c1nc(N)[nH+]c2N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000634809216 372251362 /nfs/dbraw/zinc/25/13/62/372251362.db2.gz MWJOMTYBOAPCSX-CQSZACIVSA-N 2 2 287.371 0.356 20 0 CCADLP c1nc(N2CCC3(CC[NH2+]C3)CC2)c2c([nH+]1)NCCO2 ZINC000634810090 372253483 /nfs/dbraw/zinc/25/34/83/372253483.db2.gz MCVYHIJXEOUFGQ-UHFFFAOYSA-N 2 2 275.356 0.861 20 0 CCADLP c1nc2c(c(N3CCC4(CC[NH2+]C4)CC3)[nH+]1)OCCN2 ZINC000634810090 372253487 /nfs/dbraw/zinc/25/34/87/372253487.db2.gz MCVYHIJXEOUFGQ-UHFFFAOYSA-N 2 2 275.356 0.861 20 0 CCADLP Cn1ncc2c1nc[nH+]c2N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000634813081 372256730 /nfs/dbraw/zinc/25/67/30/372256730.db2.gz YTSFLVHIDQNIPB-CMPLNLGQSA-N 2 2 272.356 0.942 20 0 CCADLP C[C@H]([C@H](C)NC(=O)C1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000237558643 189882041 /nfs/dbraw/zinc/88/20/41/189882041.db2.gz OOGBBKFLTLYFDP-NWDGAFQWSA-N 2 2 269.389 0.211 20 0 CCADLP C[NH+](C)[C@]1(C[NH2+][C@@H]2CCNC(=O)CC2)CCSC1 ZINC000634967375 372318784 /nfs/dbraw/zinc/31/87/84/372318784.db2.gz MIFHTUWAVXKQCZ-AAEUAGOBSA-N 2 2 271.430 0.682 20 0 CCADLP O=C1CC[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2CCO)CCN1 ZINC000634982423 372321714 /nfs/dbraw/zinc/32/17/14/372321714.db2.gz LHCAZLAXHJITMQ-STQMWFEESA-N 2 2 269.389 0.092 20 0 CCADLP O=C1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)CCN1 ZINC000634982423 372321722 /nfs/dbraw/zinc/32/17/22/372321722.db2.gz LHCAZLAXHJITMQ-STQMWFEESA-N 2 2 269.389 0.092 20 0 CCADLP O=C([C@H]1CC[N@@H+]1C1CCCC1)N1CC[NH+](CCO)CC1 ZINC000635249310 372429771 /nfs/dbraw/zinc/42/97/71/372429771.db2.gz TWNKVZMIFKWVRJ-CQSZACIVSA-N 2 2 281.400 0.140 20 0 CCADLP O=C([C@H]1CC[N@H+]1C1CCCC1)N1CC[NH+](CCO)CC1 ZINC000635249310 372429776 /nfs/dbraw/zinc/42/97/76/372429776.db2.gz TWNKVZMIFKWVRJ-CQSZACIVSA-N 2 2 281.400 0.140 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@@H](C2CC2)[NH+](C)C)[nH+]1 ZINC000635381942 372483649 /nfs/dbraw/zinc/48/36/49/372483649.db2.gz DYQKLKQYHJHBGQ-LBPRGKRZSA-N 2 2 264.373 0.971 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@H]2CCC[N@H+](C)C2)[nH+]1 ZINC000635539716 372603155 /nfs/dbraw/zinc/60/31/55/372603155.db2.gz GLSZWFMFQDKKTM-LLVKDONJSA-N 2 2 264.373 0.973 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000635539716 372603159 /nfs/dbraw/zinc/60/31/59/372603159.db2.gz GLSZWFMFQDKKTM-LLVKDONJSA-N 2 2 264.373 0.973 20 0 CCADLP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000635505887 372570526 /nfs/dbraw/zinc/57/05/26/372570526.db2.gz HRLROBAAXIZEFH-OLZOCXBDSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635516904 372580155 /nfs/dbraw/zinc/58/01/55/372580155.db2.gz IXQIDGAEXMGXKL-UKRRQHHQSA-N 2 2 295.427 0.528 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635516904 372580163 /nfs/dbraw/zinc/58/01/63/372580163.db2.gz IXQIDGAEXMGXKL-UKRRQHHQSA-N 2 2 295.427 0.528 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635518642 372581092 /nfs/dbraw/zinc/58/10/92/372581092.db2.gz XAPBQBXTQQGEQY-IJLUTSLNSA-N 2 2 278.356 0.038 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000635518642 372581097 /nfs/dbraw/zinc/58/10/97/372581097.db2.gz XAPBQBXTQQGEQY-IJLUTSLNSA-N 2 2 278.356 0.038 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)C12CCC[NH+](CCC1)C2 ZINC000635545324 372608138 /nfs/dbraw/zinc/60/81/38/372608138.db2.gz RSLTYVOBPFIXCB-UHFFFAOYSA-N 2 2 262.357 0.944 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[NH+]1CCOCC1 ZINC000635591846 372665703 /nfs/dbraw/zinc/66/57/03/372665703.db2.gz PKHKWNYRKNZSSN-JHJVBQTASA-N 2 2 292.383 0.598 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[NH+]1CCOCC1 ZINC000635591846 372665708 /nfs/dbraw/zinc/66/57/08/372665708.db2.gz PKHKWNYRKNZSSN-JHJVBQTASA-N 2 2 292.383 0.598 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CC[N@@H+]1C1CCCC1)[C@H]1C[NH+](C)CCO1 ZINC000635712809 372802078 /nfs/dbraw/zinc/80/20/78/372802078.db2.gz UREQARXFQCGQIM-AEGPPILISA-N 2 2 295.427 0.839 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CC[N@H+]1C1CCCC1)[C@H]1C[NH+](C)CCO1 ZINC000635712809 372802089 /nfs/dbraw/zinc/80/20/89/372802089.db2.gz UREQARXFQCGQIM-AEGPPILISA-N 2 2 295.427 0.839 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CC[NH+]1C1CCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000635712809 372802098 /nfs/dbraw/zinc/80/20/98/372802098.db2.gz UREQARXFQCGQIM-AEGPPILISA-N 2 2 295.427 0.839 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CC[NH+]1C1CCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000635712809 372802109 /nfs/dbraw/zinc/80/21/09/372802109.db2.gz UREQARXFQCGQIM-AEGPPILISA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H]1C[N@H+](C)CCO1 ZINC000635713460 372802798 /nfs/dbraw/zinc/80/27/98/372802798.db2.gz GJAMPAFDAIEZDU-UZWSLXQKSA-N 2 2 278.356 0.349 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000635713460 372802799 /nfs/dbraw/zinc/80/27/99/372802799.db2.gz GJAMPAFDAIEZDU-UZWSLXQKSA-N 2 2 278.356 0.349 20 0 CCADLP [NH3+][C@H]1CCCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000333407495 205294506 /nfs/dbraw/zinc/29/45/06/205294506.db2.gz QTMWTMZLUJWUSZ-QWHCGFSZSA-N 2 2 289.383 0.793 20 0 CCADLP COCC[N@H+](C)Cc1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000656459052 412805599 /nfs/dbraw/zinc/80/55/99/412805599.db2.gz MPLJOACIDQRJDE-UHFFFAOYSA-N 2 2 277.328 0.233 20 0 CCADLP COCC[N@@H+](C)Cc1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000656459052 412805603 /nfs/dbraw/zinc/80/56/03/412805603.db2.gz MPLJOACIDQRJDE-UHFFFAOYSA-N 2 2 277.328 0.233 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC000635920225 373106461 /nfs/dbraw/zinc/10/64/61/373106461.db2.gz RQGBAFWNDPROJT-ZIAGYGMSSA-N 2 2 295.427 0.650 20 0 CCADLP O=C(N[C@H]1Cc2c[nH+]cn2C1)C12CCC[NH+](CCC1)C2 ZINC000635985367 373208234 /nfs/dbraw/zinc/20/82/34/373208234.db2.gz HQRZMQRCFGUKKL-LBPRGKRZSA-N 2 2 274.368 0.800 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](C)CO1 ZINC000636170813 373425408 /nfs/dbraw/zinc/42/54/08/373425408.db2.gz CBJCLSSITOQOQD-BFHYXJOUSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](C)CO1 ZINC000636170813 373425414 /nfs/dbraw/zinc/42/54/14/373425414.db2.gz CBJCLSSITOQOQD-BFHYXJOUSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](C)CO1 ZINC000636170813 373425418 /nfs/dbraw/zinc/42/54/18/373425418.db2.gz CBJCLSSITOQOQD-BFHYXJOUSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](C)CO1 ZINC000636170813 373425422 /nfs/dbraw/zinc/42/54/22/373425422.db2.gz CBJCLSSITOQOQD-BFHYXJOUSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H](C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)[NH+](C)C ZINC000636171221 373425560 /nfs/dbraw/zinc/42/55/60/373425560.db2.gz FVFNNJOCHHMZHA-IJLUTSLNSA-N 2 2 257.378 0.162 20 0 CCADLP C[C@H](C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)[NH+](C)C ZINC000636171221 373425566 /nfs/dbraw/zinc/42/55/66/373425566.db2.gz FVFNNJOCHHMZHA-IJLUTSLNSA-N 2 2 257.378 0.162 20 0 CCADLP CC1CC[NH+](CCNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1 ZINC000636554806 373638569 /nfs/dbraw/zinc/63/85/69/373638569.db2.gz AERRPMCHSWNOOB-CYBMUJFWSA-N 2 2 291.399 0.839 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637152824 373961168 /nfs/dbraw/zinc/96/11/68/373961168.db2.gz UPXCXPGVENMKLS-NWDGAFQWSA-N 2 2 279.388 0.836 20 0 CCADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637152824 373961173 /nfs/dbraw/zinc/96/11/73/373961173.db2.gz UPXCXPGVENMKLS-NWDGAFQWSA-N 2 2 279.388 0.836 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000637263260 374058393 /nfs/dbraw/zinc/05/83/93/374058393.db2.gz SKMHBJHLJQXBHV-VXGBXAGGSA-N 2 2 291.399 0.980 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000637263260 374058396 /nfs/dbraw/zinc/05/83/96/374058396.db2.gz SKMHBJHLJQXBHV-VXGBXAGGSA-N 2 2 291.399 0.980 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000247973090 189943590 /nfs/dbraw/zinc/94/35/90/189943590.db2.gz JYKXDVAELGOAPF-KFWWJZLASA-N 2 2 297.443 0.849 20 0 CCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@H]1COCC[NH+]1C ZINC000637447479 374171992 /nfs/dbraw/zinc/17/19/92/374171992.db2.gz OSOWRZGYNAWYHR-KBPBESRZSA-N 2 2 298.431 0.299 20 0 CCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@H]1COCC[NH+]1C ZINC000637447479 374171998 /nfs/dbraw/zinc/17/19/98/374171998.db2.gz OSOWRZGYNAWYHR-KBPBESRZSA-N 2 2 298.431 0.299 20 0 CCADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637447479 374172000 /nfs/dbraw/zinc/17/20/00/374172000.db2.gz OSOWRZGYNAWYHR-KBPBESRZSA-N 2 2 298.431 0.299 20 0 CCADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000637447479 374172003 /nfs/dbraw/zinc/17/20/03/374172003.db2.gz OSOWRZGYNAWYHR-KBPBESRZSA-N 2 2 298.431 0.299 20 0 CCADLP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2COCC[NH+]2C)CC[N@@H+]1C ZINC000637448060 374174559 /nfs/dbraw/zinc/17/45/59/374174559.db2.gz SPJTVXOGXSYJNQ-RDBSUJKOSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2COCC[NH+]2C)CC[N@H+]1C ZINC000637448060 374174568 /nfs/dbraw/zinc/17/45/68/374174568.db2.gz SPJTVXOGXSYJNQ-RDBSUJKOSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2COCC[N@@H+]2C)CC[NH+]1C ZINC000637448060 374174573 /nfs/dbraw/zinc/17/45/73/374174573.db2.gz SPJTVXOGXSYJNQ-RDBSUJKOSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2COCC[N@H+]2C)CC[NH+]1C ZINC000637448060 374174579 /nfs/dbraw/zinc/17/45/79/374174579.db2.gz SPJTVXOGXSYJNQ-RDBSUJKOSA-N 2 2 298.431 0.441 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@@H]2CCCC[NH2+]2)[nH+]1 ZINC000637816565 374351016 /nfs/dbraw/zinc/35/10/16/374351016.db2.gz MWNVIXWTGMNLQP-NSHDSACASA-N 2 2 250.346 0.773 20 0 CCADLP CC(C)C[C@@H](C(=O)N1CCN(C)C[C@H]1C[NH3+])n1cc[nH+]c1 ZINC000637865746 374429599 /nfs/dbraw/zinc/42/95/99/374429599.db2.gz FCORSPPFWKJMCM-KGLIPLIRSA-N 2 2 293.415 0.572 20 0 CCADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334229481 284456876 /nfs/dbraw/zinc/45/68/76/284456876.db2.gz IHNKLJQJPHHATN-JQWIXIFHSA-N 2 2 273.327 0.586 20 0 CCADLP OCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000574511108 335024803 /nfs/dbraw/zinc/02/48/03/335024803.db2.gz YAZADBWAGBXALX-SPWCGHHHSA-N 2 2 268.401 0.894 20 0 CCADLP CC[NH2+][C@H](C)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000638060094 374605528 /nfs/dbraw/zinc/60/55/28/374605528.db2.gz KLKUYEQMBGCBPO-OLZOCXBDSA-N 2 2 271.405 0.457 20 0 CCADLP COC[C@]1(C(=O)NC[C@H](C)Cn2cc[nH+]c2)CCCC[NH2+]1 ZINC000638077651 374632746 /nfs/dbraw/zinc/63/27/46/374632746.db2.gz WYFOTJOUNVDJNL-ZFWWWQNUSA-N 2 2 294.399 0.794 20 0 CCADLP C[C@]1(C(=O)NCCc2cn3ccccc3[nH+]2)C[NH2+]CCO1 ZINC000638060448 374606133 /nfs/dbraw/zinc/60/61/33/374606133.db2.gz MCJPHJNSEZJHJG-OAHLLOKOSA-N 2 2 288.351 0.372 20 0 CCADLP [NH3+][C@@H]1CCO[C@@H]1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000638060890 374606818 /nfs/dbraw/zinc/60/68/18/374606818.db2.gz UIZMKPGCCVYUPK-YPMHNXCESA-N 2 2 274.324 0.109 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638073174 374627021 /nfs/dbraw/zinc/62/70/21/374627021.db2.gz LXUWMRQFWBOJGU-YPMHNXCESA-N 2 2 266.345 0.143 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000638091503 374652466 /nfs/dbraw/zinc/65/24/66/374652466.db2.gz WPLCGSMPPNAIHA-NSHDSACASA-N 2 2 295.383 0.745 20 0 CCADLP CC(C)CC[C@H]([NH3+])C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000638102511 374667900 /nfs/dbraw/zinc/66/79/00/374667900.db2.gz UXVCWCYVDOQMGJ-MCIONIFRSA-N 2 2 285.432 0.975 20 0 CCADLP Nc1nc(N)c(CN2CC[C@@H](C[NH+]3CCCC3)C2)c[nH+]1 ZINC000638112053 374678674 /nfs/dbraw/zinc/67/86/74/374678674.db2.gz JFCCJMZVXBNTJW-NSHDSACASA-N 2 2 276.388 0.219 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)CN1CC[NH2+]CC1 ZINC000638123596 374690996 /nfs/dbraw/zinc/69/09/96/374690996.db2.gz QRXXDDKVXLVYRQ-UHFFFAOYSA-N 2 2 279.388 0.061 20 0 CCADLP CC[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1[NH3+] ZINC000638209172 374797211 /nfs/dbraw/zinc/79/72/11/374797211.db2.gz WPOPUTVJLQJTDY-MNOVXSKESA-N 2 2 250.346 0.846 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@@]2(COC)CCC[NH2+]2)[nH+]1 ZINC000638233683 374825415 /nfs/dbraw/zinc/82/54/15/374825415.db2.gz WVYLOPFXSBLXSS-CQSZACIVSA-N 2 2 280.372 0.399 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000638267880 374867063 /nfs/dbraw/zinc/86/70/63/374867063.db2.gz UUNSINGATXZRMC-SBFPOUOMSA-N 2 2 260.341 0.724 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000638267880 374867067 /nfs/dbraw/zinc/86/70/67/374867067.db2.gz UUNSINGATXZRMC-SBFPOUOMSA-N 2 2 260.341 0.724 20 0 CCADLP CC(C)C[C@@H](C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)n1cc[nH+]c1 ZINC000638243973 374836286 /nfs/dbraw/zinc/83/62/86/374836286.db2.gz RXDPEGXPYZVMGK-QNWHQSFQSA-N 2 2 262.357 0.804 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000638290030 374900119 /nfs/dbraw/zinc/90/01/19/374900119.db2.gz OVSUOQXEWVBGMT-VXGBXAGGSA-N 2 2 262.357 0.775 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000638262624 374860436 /nfs/dbraw/zinc/86/04/36/374860436.db2.gz QIEPAGJEXFPYOV-NSHDSACASA-N 2 2 250.346 0.909 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000638262624 374860441 /nfs/dbraw/zinc/86/04/41/374860441.db2.gz QIEPAGJEXFPYOV-NSHDSACASA-N 2 2 250.346 0.909 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000638326427 374927192 /nfs/dbraw/zinc/92/71/92/374927192.db2.gz MEUQTYMODHLJAZ-LBPRGKRZSA-N 2 2 250.346 0.894 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000638326427 374927200 /nfs/dbraw/zinc/92/72/00/374927200.db2.gz MEUQTYMODHLJAZ-LBPRGKRZSA-N 2 2 250.346 0.894 20 0 CCADLP CC(C)C[C@H](C(=O)NC[C@H]1C[NH2+]CCO1)n1cc[nH+]c1 ZINC000638337365 374938218 /nfs/dbraw/zinc/93/82/18/374938218.db2.gz FFDLNCTYHDFSLK-CHWSQXEVSA-N 2 2 280.372 0.575 20 0 CCADLP Cc1cc(CNC(=O)c2cnc(C[NH3+])nc2)cc(C)[nH+]1 ZINC000638354588 374953052 /nfs/dbraw/zinc/95/30/52/374953052.db2.gz QJXYQZBTPPCAPC-UHFFFAOYSA-N 2 2 271.324 0.877 20 0 CCADLP Cc1cc(CNC(=O)[C@@H](C)N2CC[NH2+]CC2=O)cc(C)[nH+]1 ZINC000638354625 374953260 /nfs/dbraw/zinc/95/32/60/374953260.db2.gz RNMKTXPHXGLHDQ-GFCCVEGCSA-N 2 2 290.367 0.135 20 0 CCADLP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]CCn1cc[nH+]c1 ZINC000638298015 374905318 /nfs/dbraw/zinc/90/53/18/374905318.db2.gz MLHLHYGHQDYNSP-NWDGAFQWSA-N 2 2 250.346 0.920 20 0 CCADLP C[C@@H](NC(=O)[C@@]1(C[NH3+])CCCOC1)c1[nH+]ccn1C ZINC000638428899 375025661 /nfs/dbraw/zinc/02/56/61/375025661.db2.gz DGGAHPMWHOGONY-ZWNOBZJWSA-N 2 2 266.345 0.353 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638428666 375026000 /nfs/dbraw/zinc/02/60/00/375026000.db2.gz XWSWILNIEBVVAE-ZWNOBZJWSA-N 2 2 266.345 0.459 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)CC2 ZINC000638431538 375030260 /nfs/dbraw/zinc/03/02/60/375030260.db2.gz RXSOQTWTXBQYPM-IJLUTSLNSA-N 2 2 280.347 0.652 20 0 CCADLP COCC[N@H+](C)CC[NH2+]C[C@H](OC)[C@@H]1CCOC1 ZINC000638483344 375076819 /nfs/dbraw/zinc/07/68/19/375076819.db2.gz KBQBIDPFNZODFF-OLZOCXBDSA-N 2 2 260.378 0.206 20 0 CCADLP COCC[N@@H+](C)CC[NH2+]C[C@H](OC)[C@@H]1CCOC1 ZINC000638483344 375076826 /nfs/dbraw/zinc/07/68/26/375076826.db2.gz KBQBIDPFNZODFF-OLZOCXBDSA-N 2 2 260.378 0.206 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[NH2+]C[C@@H]2C(C)C)[nH+]1 ZINC000638490532 375084579 /nfs/dbraw/zinc/08/45/79/375084579.db2.gz AANXUIXXLHCFKS-GFCCVEGCSA-N 2 2 264.373 0.971 20 0 CCADLP Cc1nnsc1C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000638571517 375146641 /nfs/dbraw/zinc/14/66/41/375146641.db2.gz RZDZKXZJCSJKIL-NSHDSACASA-N 2 2 297.428 0.524 20 0 CCADLP Cc1nnsc1C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000638571517 375146647 /nfs/dbraw/zinc/14/66/47/375146647.db2.gz RZDZKXZJCSJKIL-NSHDSACASA-N 2 2 297.428 0.524 20 0 CCADLP C[NH2+][C@@H](C)C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000638584488 375164616 /nfs/dbraw/zinc/16/46/16/375164616.db2.gz LYMVEJMVLMFIHK-NSHDSACASA-N 2 2 279.388 0.466 20 0 CCADLP Cc1cc(NCCNC(=O)CC[C@H](C)[NH3+])nc(C(C)C)[nH+]1 ZINC000638584802 375166431 /nfs/dbraw/zinc/16/64/31/375166431.db2.gz XYIYQPXYRFXNCR-NSHDSACASA-N 2 2 293.415 0.986 20 0 CCADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+](C)CCN2C)[C@]12CCCO2 ZINC000638593862 375175871 /nfs/dbraw/zinc/17/58/71/375175871.db2.gz ALZPQMPOBCNEOX-CAOSSQGBSA-N 2 2 297.443 0.548 20 0 CCADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](C)CCN2C)[C@]12CCCO2 ZINC000638593862 375175875 /nfs/dbraw/zinc/17/58/75/375175875.db2.gz ALZPQMPOBCNEOX-CAOSSQGBSA-N 2 2 297.443 0.548 20 0 CCADLP Cc1cnc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)o1 ZINC000638600100 375179483 /nfs/dbraw/zinc/17/94/83/375179483.db2.gz VZNXUPBRASMLAL-CQSZACIVSA-N 2 2 294.399 0.479 20 0 CCADLP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000638631726 375236215 /nfs/dbraw/zinc/23/62/15/375236215.db2.gz WQCMYLWGVDOOHS-PREPNJAASA-N 2 2 257.378 0.194 20 0 CCADLP O=C(NC[C@H]1COCC[NH2+]1)c1ccc2[nH+]ccn2c1 ZINC000638615640 375202854 /nfs/dbraw/zinc/20/28/54/375202854.db2.gz FSYOJYKHLCVFFP-NSHDSACASA-N 2 2 260.297 0.053 20 0 CCADLP Cc1cn2ccc(C(=O)NCCOCCC[NH3+])cc2[nH+]1 ZINC000638663679 375267622 /nfs/dbraw/zinc/26/76/22/375267622.db2.gz HWYSWIHMYNCTOG-UHFFFAOYSA-N 2 2 276.340 0.738 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638926203 375462034 /nfs/dbraw/zinc/46/20/34/375462034.db2.gz COMLJRXFUKTPJP-TXEJJXNPSA-N 2 2 274.368 0.725 20 0 CCADLP Cc1cn2ccc(C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)cc2[nH+]1 ZINC000638918814 375455221 /nfs/dbraw/zinc/45/52/21/375455221.db2.gz VMPNKLUUWXNHSQ-RYUDHWBXSA-N 2 2 256.309 0.829 20 0 CCADLP [NH3+][C@@H](C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)C1CCC1 ZINC000638985444 375497875 /nfs/dbraw/zinc/49/78/75/375497875.db2.gz HLQKOQLGKHQXDI-CQSZACIVSA-N 3 2 289.383 0.557 20 0 CCADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@H]1CCC[NH2+]1 ZINC000638987152 375499376 /nfs/dbraw/zinc/49/93/76/375499376.db2.gz MOEBCUHGZUNRME-GFCCVEGCSA-N 3 2 275.356 0.182 20 0 CCADLP [NH3+]CCC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000638991275 375504650 /nfs/dbraw/zinc/50/46/50/375504650.db2.gz YYELHYJVPYVLOW-UHFFFAOYSA-N 2 2 280.397 0.600 20 0 CCADLP CC(C)[C@H]1CN(C(=O)c2c[nH+]ccc2N)CC[N@@H+]1C ZINC000639018487 375522834 /nfs/dbraw/zinc/52/28/34/375522834.db2.gz LTZRLEMEFBWRAH-CYBMUJFWSA-N 2 2 262.357 0.906 20 0 CCADLP CC(C)[C@H]1CN(C(=O)c2c[nH+]ccc2N)CC[N@H+]1C ZINC000639018487 375522838 /nfs/dbraw/zinc/52/28/38/375522838.db2.gz LTZRLEMEFBWRAH-CYBMUJFWSA-N 2 2 262.357 0.906 20 0 CCADLP C[NH+](C)[C@H]1CCCN(Cc2c[nH+]c(N)nc2N)CC1 ZINC000639102450 375578627 /nfs/dbraw/zinc/57/86/27/375578627.db2.gz BKMBRVYDGFJKGK-NSHDSACASA-N 2 2 264.377 0.218 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cnc(N)nc2N)C1 ZINC000639176894 375621526 /nfs/dbraw/zinc/62/15/26/375621526.db2.gz MHFJTDYPQIKWLD-VIFPVBQESA-N 2 2 273.344 0.025 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cnc(N)nc2N)C1 ZINC000639176894 375621529 /nfs/dbraw/zinc/62/15/29/375621529.db2.gz MHFJTDYPQIKWLD-VIFPVBQESA-N 2 2 273.344 0.025 20 0 CCADLP C[NH+](C)CCn1nccc1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000568778887 291623134 /nfs/dbraw/zinc/62/31/34/291623134.db2.gz UZYBAMQXRJFRPE-UHFFFAOYSA-N 2 2 279.388 0.725 20 0 CCADLP C[C@@H]1C[C@H](NC[C@H](O)C[N@H+](C)C2CC2)c2[nH+]ccn21 ZINC000574631947 335035067 /nfs/dbraw/zinc/03/50/67/335035067.db2.gz RIYONVCGEZXZGE-WXHSDQCUSA-N 2 2 264.373 0.934 20 0 CCADLP C[C@@H]1C[C@H](NC[C@H](O)C[N@@H+](C)C2CC2)c2[nH+]ccn21 ZINC000574631947 335035069 /nfs/dbraw/zinc/03/50/69/335035069.db2.gz RIYONVCGEZXZGE-WXHSDQCUSA-N 2 2 264.373 0.934 20 0 CCADLP CO[C@H](C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO)[C@H]1CCOC1 ZINC000639217636 375639292 /nfs/dbraw/zinc/63/92/92/375639292.db2.gz INDDITYVJVALRV-SOUVJXGZSA-N 2 2 286.416 0.474 20 0 CCADLP CO[C@H](C[NH2+]C[C@@H]1CCC[N@H+]1CCCO)[C@H]1CCOC1 ZINC000639217636 375639299 /nfs/dbraw/zinc/63/92/99/375639299.db2.gz INDDITYVJVALRV-SOUVJXGZSA-N 2 2 286.416 0.474 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000574638238 335035833 /nfs/dbraw/zinc/03/58/33/335035833.db2.gz ZKGJJEMRWZWLRJ-WFASDCNBSA-N 2 2 296.415 0.685 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000574638238 335035835 /nfs/dbraw/zinc/03/58/35/335035835.db2.gz ZKGJJEMRWZWLRJ-WFASDCNBSA-N 2 2 296.415 0.685 20 0 CCADLP O=C1C[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)CCCN1 ZINC000639219362 375643587 /nfs/dbraw/zinc/64/35/87/375643587.db2.gz SWEMKEZAALUOCM-OLZOCXBDSA-N 2 2 269.389 0.092 20 0 CCADLP O=C1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)CCCN1 ZINC000639219362 375643590 /nfs/dbraw/zinc/64/35/90/375643590.db2.gz SWEMKEZAALUOCM-OLZOCXBDSA-N 2 2 269.389 0.092 20 0 CCADLP COc1cc(C[C@H](C)[NH2+]CC[N@@H+]2CC[C@@H](O)C2)ccn1 ZINC000639354761 375754697 /nfs/dbraw/zinc/75/46/97/375754697.db2.gz LOWGMMRYVUXVKH-GXTWGEPZSA-N 2 2 279.384 0.677 20 0 CCADLP COc1cc(C[C@H](C)[NH2+]CC[N@H+]2CC[C@@H](O)C2)ccn1 ZINC000639354761 375754703 /nfs/dbraw/zinc/75/47/03/375754703.db2.gz LOWGMMRYVUXVKH-GXTWGEPZSA-N 2 2 279.384 0.677 20 0 CCADLP COC[C@H]([NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1)C1CC1 ZINC000639371678 375767259 /nfs/dbraw/zinc/76/72/59/375767259.db2.gz UOPUHCUGDCEWPS-KBXIAJHMSA-N 2 2 268.401 0.989 20 0 CCADLP COC[C@H]([NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1)C1CC1 ZINC000639371678 375767261 /nfs/dbraw/zinc/76/72/61/375767261.db2.gz UOPUHCUGDCEWPS-KBXIAJHMSA-N 2 2 268.401 0.989 20 0 CCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC(C)=O)CC2)CC1 ZINC000639481169 375802381 /nfs/dbraw/zinc/80/23/81/375802381.db2.gz AEYYJVDCDDSKST-UHFFFAOYSA-N 2 2 295.427 0.842 20 0 CCADLP COCCCOCC[N@@H+](C)CCc1c[nH+]cn1C ZINC000639561605 375838059 /nfs/dbraw/zinc/83/80/59/375838059.db2.gz OKLRIWQFKMRTLV-UHFFFAOYSA-N 2 2 255.362 0.948 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000639612163 375860680 /nfs/dbraw/zinc/86/06/80/375860680.db2.gz LWFTXRVHHWAKMY-ZDUSSCGKSA-N 2 2 285.413 0.862 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000639612163 375860683 /nfs/dbraw/zinc/86/06/83/375860683.db2.gz LWFTXRVHHWAKMY-ZDUSSCGKSA-N 2 2 285.413 0.862 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+](C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000639657746 375891120 /nfs/dbraw/zinc/89/11/20/375891120.db2.gz CWHZYLVCNSQLBD-KGLIPLIRSA-N 2 2 264.373 0.368 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000639657746 375891126 /nfs/dbraw/zinc/89/11/26/375891126.db2.gz CWHZYLVCNSQLBD-KGLIPLIRSA-N 2 2 264.373 0.368 20 0 CCADLP C[C@@H]1[C@@H](C)[N@H+](CCn2cc[nH+]c2)[C@@H](C)C(=O)N1C ZINC000639690799 375921999 /nfs/dbraw/zinc/92/19/99/375921999.db2.gz PATKZLJXLQDHLD-UTUOFQBUSA-N 2 2 250.346 0.823 20 0 CCADLP C[C@@H]1[C@@H](C)[N@@H+](CCn2cc[nH+]c2)[C@@H](C)C(=O)N1C ZINC000639690799 375922001 /nfs/dbraw/zinc/92/20/01/375922001.db2.gz PATKZLJXLQDHLD-UTUOFQBUSA-N 2 2 250.346 0.823 20 0 CCADLP Cc1[nH+]ccn1CCC[NH+]1CCN(Cc2nc[nH]n2)CC1 ZINC000639721170 375945817 /nfs/dbraw/zinc/94/58/17/375945817.db2.gz KYGCHVPZQZOCFF-UHFFFAOYSA-N 2 2 289.387 0.518 20 0 CCADLP Cc1[nH+]ccn1CCC[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC000639721170 375945835 /nfs/dbraw/zinc/94/58/35/375945835.db2.gz KYGCHVPZQZOCFF-UHFFFAOYSA-N 2 2 289.387 0.518 20 0 CCADLP Cc1cc(C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)on1 ZINC000639766721 375997953 /nfs/dbraw/zinc/99/79/53/375997953.db2.gz ONFCLJBEAZCLFT-CYBMUJFWSA-N 2 2 253.346 0.872 20 0 CCADLP Cc1cc(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)on1 ZINC000639766721 375997962 /nfs/dbraw/zinc/99/79/62/375997962.db2.gz ONFCLJBEAZCLFT-CYBMUJFWSA-N 2 2 253.346 0.872 20 0 CCADLP Cc1cc(C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)nc(C)n1 ZINC000639761216 375985493 /nfs/dbraw/zinc/98/54/93/375985493.db2.gz FCLLHUWGQULLTQ-OAHLLOKOSA-N 2 2 278.400 0.982 20 0 CCADLP Cc1cc(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)nc(C)n1 ZINC000639761216 375985500 /nfs/dbraw/zinc/98/55/00/375985500.db2.gz FCLLHUWGQULLTQ-OAHLLOKOSA-N 2 2 278.400 0.982 20 0 CCADLP O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000640321769 376311870 /nfs/dbraw/zinc/31/18/70/376311870.db2.gz KKMOQHDFEUXXTG-QWHCGFSZSA-N 2 2 292.383 0.018 20 0 CCADLP c1cn(CCCn2cc(C[C@H]3CC[NH2+]C3)nn2)c[nH+]1 ZINC000641054913 376722041 /nfs/dbraw/zinc/72/20/41/376722041.db2.gz PQWIIILKKPYRNB-GFCCVEGCSA-N 2 2 260.345 0.717 20 0 CCADLP CC(C)(C)[C@@H]([NH3+])c1cn(C[C@H](O)C[NH+]2CCOCC2)nn1 ZINC000641209492 376883902 /nfs/dbraw/zinc/88/39/02/376883902.db2.gz YHRGDBNTMNRRPK-YPMHNXCESA-N 2 2 297.403 0.017 20 0 CCADLP Cc1nc(N(C)C)nc(N[C@H]2C[C@H]([NH+](C)C)C2(C)C)[nH+]1 ZINC000641649306 377360631 /nfs/dbraw/zinc/36/06/31/377360631.db2.gz YDVFTCOEEBTZBV-QWRGUYRKSA-N 2 2 278.404 0.809 20 0 CCADLP Cc1nc(N[C@H]2C[C@H]([NH+](C)C)C2(C)C)nc(N(C)C)[nH+]1 ZINC000641649306 377360637 /nfs/dbraw/zinc/36/06/37/377360637.db2.gz YDVFTCOEEBTZBV-QWRGUYRKSA-N 2 2 278.404 0.809 20 0 CCADLP Cc1cc(N2CC3(C2)CC(=O)NCC[NH2+]3)nc(C2CC2)[nH+]1 ZINC000641681069 377386421 /nfs/dbraw/zinc/38/64/21/377386421.db2.gz FDBSPNWVFOFBJC-UHFFFAOYSA-N 2 2 287.367 0.331 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000641754244 377442171 /nfs/dbraw/zinc/44/21/71/377442171.db2.gz LJAOQBPAVDOBEF-CYBMUJFWSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000641754244 377442178 /nfs/dbraw/zinc/44/21/78/377442178.db2.gz LJAOQBPAVDOBEF-CYBMUJFWSA-N 2 2 298.431 0.443 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1nnnn1CC1CCOCC1 ZINC000641801941 377470996 /nfs/dbraw/zinc/47/09/96/377470996.db2.gz WHBGHFBNUNWMJP-VXGBXAGGSA-N 2 2 294.403 0.315 20 0 CCADLP Cc1cc(NC(=O)C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)no1 ZINC000641806007 377479172 /nfs/dbraw/zinc/47/91/72/377479172.db2.gz PVZRYXGLYZJEDP-DTWKUNHWSA-N 2 2 252.318 0.059 20 0 CCADLP Cn1c(NCC[NH+]2CCOCC2)[nH+]c2cccc(F)c21 ZINC000443407862 249025013 /nfs/dbraw/zinc/02/50/13/249025013.db2.gz JABHRYFPZHVSKE-UHFFFAOYSA-N 2 2 278.331 0.878 20 0 CCADLP CC[C@@](COC)([NH2+]CCCn1cc[nH+]c1)C(=O)OC ZINC000459556091 249042894 /nfs/dbraw/zinc/04/28/94/249042894.db2.gz JACUFYREBGVTFI-ZDUSSCGKSA-N 2 2 269.345 0.831 20 0 CCADLP COCC[N@@H+]1CCCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492765844 249084393 /nfs/dbraw/zinc/08/43/93/249084393.db2.gz MANQZSYMQYZGAM-ARJAWSKDSA-N 2 2 278.356 0.604 20 0 CCADLP COCC[N@H+]1CCCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492765844 249084395 /nfs/dbraw/zinc/08/43/95/249084395.db2.gz MANQZSYMQYZGAM-ARJAWSKDSA-N 2 2 278.356 0.604 20 0 CCADLP Cc1cc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)nc(C2CC2)[nH+]1 ZINC000515072156 249119630 /nfs/dbraw/zinc/11/96/30/249119630.db2.gz HQENDGCIEYCHCB-NEPJUHHUSA-N 2 2 287.367 0.411 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)C[C@H](C)O1 ZINC000514597438 249091450 /nfs/dbraw/zinc/09/14/50/249091450.db2.gz QPEJPVDFQOGWEM-TWHJKIGZSA-N 2 2 298.427 0.614 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)C[C@H](C)O1 ZINC000514597438 249091453 /nfs/dbraw/zinc/09/14/53/249091453.db2.gz QPEJPVDFQOGWEM-TWHJKIGZSA-N 2 2 298.427 0.614 20 0 CCADLP C[C@H](C(=O)Nc1nccs1)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000516185449 249155763 /nfs/dbraw/zinc/15/57/63/249155763.db2.gz BKHCNHLNGAYYIZ-SECBINFHSA-N 2 2 284.385 0.256 20 0 CCADLP [NH3+][C@@H](CNC(=O)NCc1ccn2cc[nH+]c2c1)C1CC1 ZINC000515620898 249139708 /nfs/dbraw/zinc/13/97/08/249139708.db2.gz OXCNEUFEVRZHJI-LBPRGKRZSA-N 2 2 273.340 0.871 20 0 CCADLP C[C@@H](C(=O)N(C)CCC[NH+](C)C)[NH+]1CCOCC1 ZINC000516661614 249176084 /nfs/dbraw/zinc/17/60/84/249176084.db2.gz MWTGAFIYFGSZPY-LBPRGKRZSA-N 2 2 257.378 0.117 20 0 CCADLP C[C@H]1C[N@H+](CCCc2c[nH+]cn2C)CC(=O)N1C ZINC000517244019 249211650 /nfs/dbraw/zinc/21/16/50/249211650.db2.gz YYDRPDCFUMGKSU-NSHDSACASA-N 2 2 250.346 0.515 20 0 CCADLP C[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)CC(=O)N1C ZINC000517244019 249211651 /nfs/dbraw/zinc/21/16/51/249211651.db2.gz YYDRPDCFUMGKSU-NSHDSACASA-N 2 2 250.346 0.515 20 0 CCADLP C[C@H]([NH3+])CNc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000643035774 377700409 /nfs/dbraw/zinc/70/04/09/377700409.db2.gz ZVQGQSBLKMIRTD-QWRGUYRKSA-N 2 2 265.361 0.587 20 0 CCADLP COC1(C[NH2+]C[C@H](C)C[NH+]2CCOCC2)CCOCC1 ZINC000428886350 284726019 /nfs/dbraw/zinc/72/60/19/284726019.db2.gz YUYIINAOALPNQL-AWEZNQCLSA-N 2 2 286.416 0.740 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)Cc1c[nH+]cn1C ZINC000570026735 291727825 /nfs/dbraw/zinc/72/78/25/291727825.db2.gz XGRWNFDBWQXTII-UHFFFAOYSA-N 2 2 261.329 0.674 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000570634767 291770826 /nfs/dbraw/zinc/77/08/26/291770826.db2.gz HQWHSOPAIAVSQP-QWRGUYRKSA-N 2 2 250.346 0.512 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000334823162 207140377 /nfs/dbraw/zinc/14/03/77/207140377.db2.gz XDUGJOKQAINOIZ-SNVBAGLBSA-N 2 2 270.283 0.931 20 0 CCADLP C[C@H](C[NH2+]Cc1nnn(C(C)(C)C)n1)N1CC[NH+](C)CC1 ZINC000657348831 412965873 /nfs/dbraw/zinc/96/58/73/412965873.db2.gz JAWWDRACIVTJSS-GFCCVEGCSA-N 2 2 295.435 0.154 20 0 CCADLP C[C@H](CS(C)(=O)=O)[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246054001 285001781 /nfs/dbraw/zinc/00/17/81/285001781.db2.gz QAHDUCGSAJRVJK-GRYCIOLGSA-N 2 2 262.419 0.882 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCCC(=O)OC)[C@@H](C)C1 ZINC000246995873 285039739 /nfs/dbraw/zinc/03/97/39/285039739.db2.gz KQLQGSRUOVTSPX-QWHCGFSZSA-N 2 2 299.415 0.328 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCCC(=O)OC)[C@@H](C)C1 ZINC000246995873 285039741 /nfs/dbraw/zinc/03/97/41/285039741.db2.gz KQLQGSRUOVTSPX-QWHCGFSZSA-N 2 2 299.415 0.328 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCCC(=O)OC)[C@@H](C)C1 ZINC000246995873 285039742 /nfs/dbraw/zinc/03/97/42/285039742.db2.gz KQLQGSRUOVTSPX-QWHCGFSZSA-N 2 2 299.415 0.328 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCCC(=O)OC)[C@@H](C)C1 ZINC000246995873 285039746 /nfs/dbraw/zinc/03/97/46/285039746.db2.gz KQLQGSRUOVTSPX-QWHCGFSZSA-N 2 2 299.415 0.328 20 0 CCADLP C[NH2+][C@H](C)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000423633170 532999085 /nfs/dbraw/zinc/99/90/85/532999085.db2.gz PCHINMFMDVWCLZ-YPMHNXCESA-N 2 2 269.389 0.354 20 0 CCADLP C[NH2+][C@H](C)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000423633170 532999090 /nfs/dbraw/zinc/99/90/90/532999090.db2.gz PCHINMFMDVWCLZ-YPMHNXCESA-N 2 2 269.389 0.354 20 0 CCADLP CC[N@H+](C[C@@]1(C)CC[NH2+]C1)[C@H](C)CS(C)(=O)=O ZINC000261890507 285037035 /nfs/dbraw/zinc/03/70/35/285037035.db2.gz SZJCTKVNQJXKPM-NEPJUHHUSA-N 2 2 262.419 0.741 20 0 CCADLP CC[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@H](C)CS(C)(=O)=O ZINC000261890507 285037039 /nfs/dbraw/zinc/03/70/39/285037039.db2.gz SZJCTKVNQJXKPM-NEPJUHHUSA-N 2 2 262.419 0.741 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]CC1(OC)CCOCC1 ZINC000428876820 285037686 /nfs/dbraw/zinc/03/76/86/285037686.db2.gz PLYIGZKBLRIDIN-AWEZNQCLSA-N 2 2 286.416 0.882 20 0 CCADLP COCC[N@H+]1CCC[C@H]1C[NH2+]CC1(OC)CCOCC1 ZINC000428876820 285037688 /nfs/dbraw/zinc/03/76/88/285037688.db2.gz PLYIGZKBLRIDIN-AWEZNQCLSA-N 2 2 286.416 0.882 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCNC2=O)[C@@H](C)C1 ZINC000247050792 285042003 /nfs/dbraw/zinc/04/20/03/285042003.db2.gz OINYBAZPMBZEJC-NWDGAFQWSA-N 2 2 282.388 0.200 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCNC2=O)[C@@H](C)C1 ZINC000247050792 285042006 /nfs/dbraw/zinc/04/20/06/285042006.db2.gz OINYBAZPMBZEJC-NWDGAFQWSA-N 2 2 282.388 0.200 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCNC2=O)[C@@H](C)C1 ZINC000247050792 285042009 /nfs/dbraw/zinc/04/20/09/285042009.db2.gz OINYBAZPMBZEJC-NWDGAFQWSA-N 2 2 282.388 0.200 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCNC2=O)[C@@H](C)C1 ZINC000247050792 285042011 /nfs/dbraw/zinc/04/20/11/285042011.db2.gz OINYBAZPMBZEJC-NWDGAFQWSA-N 2 2 282.388 0.200 20 0 CCADLP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000449089523 533008870 /nfs/dbraw/zinc/00/88/70/533008870.db2.gz KXFZQYDTAKJGIU-QWHCGFSZSA-N 2 2 285.432 0.848 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000574810747 335047822 /nfs/dbraw/zinc/04/78/22/335047822.db2.gz NDYQHZDHPOHURC-KBPBESRZSA-N 3 2 254.422 0.339 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000574810747 335047824 /nfs/dbraw/zinc/04/78/24/335047824.db2.gz NDYQHZDHPOHURC-KBPBESRZSA-N 3 2 254.422 0.339 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1cnn2c1CCC2 ZINC000657356149 412971092 /nfs/dbraw/zinc/97/10/92/412971092.db2.gz BMRRFUQJKSAMMF-CYBMUJFWSA-N 2 2 263.389 0.165 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)n1C ZINC000657359908 412971333 /nfs/dbraw/zinc/97/13/33/412971333.db2.gz RCYGQXHMOXJEIB-CQSZACIVSA-N 3 2 291.443 0.987 20 0 CCADLP CNC(=O)[C@]1(C)CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000281065153 195089403 /nfs/dbraw/zinc/08/94/03/195089403.db2.gz KHKGBIPLYFZNMG-CYBMUJFWSA-N 2 2 250.346 0.731 20 0 CCADLP CNC(=O)[C@]1(C)CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000281065153 195089405 /nfs/dbraw/zinc/08/94/05/195089405.db2.gz KHKGBIPLYFZNMG-CYBMUJFWSA-N 2 2 250.346 0.731 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](O)C(F)(F)F)C2)CC1 ZINC000248544547 285068847 /nfs/dbraw/zinc/06/88/47/285068847.db2.gz DAMUDPDAGLQUEV-VXGBXAGGSA-N 2 2 295.349 0.621 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](O)C(F)(F)F)C2)CC1 ZINC000248544547 285068855 /nfs/dbraw/zinc/06/88/55/285068855.db2.gz DAMUDPDAGLQUEV-VXGBXAGGSA-N 2 2 295.349 0.621 20 0 CCADLP COC(=O)[C@@H]1CSCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000412082115 533032998 /nfs/dbraw/zinc/03/29/98/533032998.db2.gz RHQFUYPYECYZOO-NSHDSACASA-N 2 2 269.370 0.721 20 0 CCADLP COC(=O)[C@@H]1CSCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000412082115 533033001 /nfs/dbraw/zinc/03/30/01/533033001.db2.gz RHQFUYPYECYZOO-NSHDSACASA-N 2 2 269.370 0.721 20 0 CCADLP CS(=O)(=O)CC1(C[NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657387403 412979155 /nfs/dbraw/zinc/97/91/55/412979155.db2.gz PEFWZTDOJWKRDK-UHFFFAOYSA-N 2 2 283.397 0.744 20 0 CCADLP Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000657414558 412985076 /nfs/dbraw/zinc/98/50/76/412985076.db2.gz BIVCUDAISVXZAB-LLVKDONJSA-N 2 2 294.321 0.841 20 0 CCADLP OCC1(C[NH2+]Cc2c[nH+]c3n2CCC3)CCOCC1 ZINC000657412466 412985945 /nfs/dbraw/zinc/98/59/45/412985945.db2.gz LNQSVQNDBPJHFN-UHFFFAOYSA-N 2 2 265.357 0.708 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@H](CO)c1ccccc1)C1CC1 ZINC000289374105 197317522 /nfs/dbraw/zinc/31/75/22/197317522.db2.gz OTQLCILQHSFNPB-LSDHHAIUSA-N 2 2 264.369 0.765 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H](CO)c1ccccc1)C1CC1 ZINC000289374105 197317524 /nfs/dbraw/zinc/31/75/24/197317524.db2.gz OTQLCILQHSFNPB-LSDHHAIUSA-N 2 2 264.369 0.765 20 0 CCADLP C[C@H](C(=O)N1CC[NH+](CCO)[C@H](C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000249483659 285118986 /nfs/dbraw/zinc/11/89/86/285118986.db2.gz CCCYBASLQGNKSK-LXTVHRRPSA-N 2 2 297.443 0.773 20 0 CCADLP C[C@H](C(=O)N1CC[NH+](CCO)[C@H](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000249483659 285118987 /nfs/dbraw/zinc/11/89/87/285118987.db2.gz CCCYBASLQGNKSK-LXTVHRRPSA-N 2 2 297.443 0.773 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](CCO)[C@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000249483659 285118990 /nfs/dbraw/zinc/11/89/90/285118990.db2.gz CCCYBASLQGNKSK-LXTVHRRPSA-N 2 2 297.443 0.773 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(CCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000249477050 285119026 /nfs/dbraw/zinc/11/90/26/285119026.db2.gz ACLNHWFOXOAWNC-CABCVRRESA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(CCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000249477050 285119027 /nfs/dbraw/zinc/11/90/27/285119027.db2.gz ACLNHWFOXOAWNC-CABCVRRESA-N 2 2 285.432 0.096 20 0 CCADLP CN(C)C(=O)[C@H]1CC[C@@H](C[NH2+]Cc2c[nH+]c3n2CCC3)O1 ZINC000657427523 412988620 /nfs/dbraw/zinc/98/86/20/412988620.db2.gz RYZNMMCNGDGIRT-QWHCGFSZSA-N 2 2 292.383 0.555 20 0 CCADLP CC(C)COC[C@@H](O)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000572276811 291869222 /nfs/dbraw/zinc/86/92/22/291869222.db2.gz KJUFTHXNYMCYCB-STQMWFEESA-N 2 2 267.373 0.821 20 0 CCADLP COc1cncc(/C=C/C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000493090060 533116237 /nfs/dbraw/zinc/11/62/37/533116237.db2.gz FBFFAJIIIACUEE-OOPCZODUSA-N 2 2 290.367 0.205 20 0 CCADLP COc1cncc(/C=C/C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000493090060 533116246 /nfs/dbraw/zinc/11/62/46/533116246.db2.gz FBFFAJIIIACUEE-OOPCZODUSA-N 2 2 290.367 0.205 20 0 CCADLP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)CO1 ZINC000657480765 413002651 /nfs/dbraw/zinc/00/26/51/413002651.db2.gz VPMCVPOVHKOSGK-MELADBBJSA-N 2 2 256.390 0.990 20 0 CCADLP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)CO1 ZINC000657480765 413002656 /nfs/dbraw/zinc/00/26/56/413002656.db2.gz VPMCVPOVHKOSGK-MELADBBJSA-N 2 2 256.390 0.990 20 0 CCADLP CO[C@H](C)c1noc(C[N@@H+]2CCCN(C[C@H](C)[NH3+])CC2)n1 ZINC000442655682 533129207 /nfs/dbraw/zinc/12/92/07/533129207.db2.gz ZWRQRCOOPDZRIE-NWDGAFQWSA-N 2 2 297.403 0.632 20 0 CCADLP CO[C@H](C)c1noc(C[N@H+]2CCCN(C[C@H](C)[NH3+])CC2)n1 ZINC000442655682 533129212 /nfs/dbraw/zinc/12/92/12/533129212.db2.gz ZWRQRCOOPDZRIE-NWDGAFQWSA-N 2 2 297.403 0.632 20 0 CCADLP CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657490386 413008344 /nfs/dbraw/zinc/00/83/44/413008344.db2.gz IJSOKDDVTAGOEF-VXGBXAGGSA-N 2 2 253.346 0.441 20 0 CCADLP C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000572713003 291898101 /nfs/dbraw/zinc/89/81/01/291898101.db2.gz XYYRKUMZKBOJLN-TZMCWYRMSA-N 2 2 297.424 0.695 20 0 CCADLP COC[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000395982888 285229766 /nfs/dbraw/zinc/22/97/66/285229766.db2.gz ANZHUGXZCPJHGS-KBPBESRZSA-N 2 2 256.390 0.942 20 0 CCADLP COC[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000395982888 285229767 /nfs/dbraw/zinc/22/97/67/285229767.db2.gz ANZHUGXZCPJHGS-KBPBESRZSA-N 2 2 256.390 0.942 20 0 CCADLP COC[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000395982888 285229772 /nfs/dbraw/zinc/22/97/72/285229772.db2.gz ANZHUGXZCPJHGS-KBPBESRZSA-N 2 2 256.390 0.942 20 0 CCADLP COC[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000395982888 285229774 /nfs/dbraw/zinc/22/97/74/285229774.db2.gz ANZHUGXZCPJHGS-KBPBESRZSA-N 2 2 256.390 0.942 20 0 CCADLP CO[C@H](C[NH2+]Cc1c[nH+]c(C)n1C)[C@H]1CCOC1 ZINC000657540447 413019128 /nfs/dbraw/zinc/01/91/28/413019128.db2.gz HALXIQJNFYWCEO-WCQYABFASA-N 2 2 253.346 0.870 20 0 CCADLP C[C@H]1CCC[N@H+](CCNC(=O)NCCn2cc[nH+]c2)C1 ZINC000043311363 388868887 /nfs/dbraw/zinc/86/88/87/388868887.db2.gz UALDOIUXJDNLFT-ZDUSSCGKSA-N 2 2 279.388 0.914 20 0 CCADLP C[C@H]1CCC[N@@H+](CCNC(=O)NCCn2cc[nH+]c2)C1 ZINC000043311363 388868889 /nfs/dbraw/zinc/86/88/89/388868889.db2.gz UALDOIUXJDNLFT-ZDUSSCGKSA-N 2 2 279.388 0.914 20 0 CCADLP C[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1n1cc[nH+]c1 ZINC000289769794 388890069 /nfs/dbraw/zinc/89/00/69/388890069.db2.gz ILDSBBGVVGEYRS-OLZOCXBDSA-N 2 2 277.372 0.791 20 0 CCADLP C[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1n1cc[nH+]c1 ZINC000289769794 388890074 /nfs/dbraw/zinc/89/00/74/388890074.db2.gz ILDSBBGVVGEYRS-OLZOCXBDSA-N 2 2 277.372 0.791 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2coc(C[NH3+])c2)C1 ZINC000188037773 388910381 /nfs/dbraw/zinc/91/03/81/388910381.db2.gz HNKKHVSWZZQJEB-AWEZNQCLSA-N 2 2 295.383 0.825 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2coc(C[NH3+])c2)C1 ZINC000188037773 388910383 /nfs/dbraw/zinc/91/03/83/388910383.db2.gz HNKKHVSWZZQJEB-AWEZNQCLSA-N 2 2 295.383 0.825 20 0 CCADLP CC(C)[C@@H](C(=O)N1CCn2c[nH+]cc2C1)[NH+](C)C ZINC000291031994 388916463 /nfs/dbraw/zinc/91/64/63/388916463.db2.gz FIRKRDJEWLVYPH-LBPRGKRZSA-N 2 2 250.346 0.812 20 0 CCADLP C[C@@H](NC(=O)c1coc(C[NH3+])c1)[C@@H](C)[NH+]1CCOCC1 ZINC000188181528 388917224 /nfs/dbraw/zinc/91/72/24/388917224.db2.gz MXQXLIYCOGDERG-GHMZBOCLSA-N 2 2 281.356 0.577 20 0 CCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000049772889 388923817 /nfs/dbraw/zinc/92/38/17/388923817.db2.gz VSHCDKHZVLYGDI-CYBMUJFWSA-N 2 2 297.399 0.036 20 0 CCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000049772889 388923818 /nfs/dbraw/zinc/92/38/18/388923818.db2.gz VSHCDKHZVLYGDI-CYBMUJFWSA-N 2 2 297.399 0.036 20 0 CCADLP [NH3+]C[C@@H](C(=O)N1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000062252328 388938643 /nfs/dbraw/zinc/93/86/43/388938643.db2.gz DWHKIGOKXFMGPY-CYBMUJFWSA-N 2 2 270.336 0.968 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000062854774 388939855 /nfs/dbraw/zinc/93/98/55/388939855.db2.gz HRKGPXXJQQKKLZ-JSGCOSHPSA-N 2 2 269.389 0.213 20 0 CCADLP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000068802061 388949833 /nfs/dbraw/zinc/94/98/33/388949833.db2.gz RALONIXXXBSIIW-OCCSQVGLSA-N 2 2 277.416 0.633 20 0 CCADLP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000068802061 388949836 /nfs/dbraw/zinc/94/98/36/388949836.db2.gz RALONIXXXBSIIW-OCCSQVGLSA-N 2 2 277.416 0.633 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000294747381 388993231 /nfs/dbraw/zinc/99/32/31/388993231.db2.gz KLOULDVOKVJLGR-LBPRGKRZSA-N 2 2 274.368 0.871 20 0 CCADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000072858324 388971034 /nfs/dbraw/zinc/97/10/34/388971034.db2.gz OSRZETAIBRQTTJ-GFCCVEGCSA-N 2 2 298.431 0.884 20 0 CCADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000072858324 388971038 /nfs/dbraw/zinc/97/10/38/388971038.db2.gz OSRZETAIBRQTTJ-GFCCVEGCSA-N 2 2 298.431 0.884 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000072858324 388971041 /nfs/dbraw/zinc/97/10/41/388971041.db2.gz OSRZETAIBRQTTJ-GFCCVEGCSA-N 2 2 298.431 0.884 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000072858324 388971044 /nfs/dbraw/zinc/97/10/44/388971044.db2.gz OSRZETAIBRQTTJ-GFCCVEGCSA-N 2 2 298.431 0.884 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000189743106 388971253 /nfs/dbraw/zinc/97/12/53/388971253.db2.gz CEHRJTZEYYDXFR-UONOGXRCSA-N 2 2 283.416 0.386 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000189743106 388971256 /nfs/dbraw/zinc/97/12/56/388971256.db2.gz CEHRJTZEYYDXFR-UONOGXRCSA-N 2 2 283.416 0.386 20 0 CCADLP Cc1[nH]ncc1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000092615894 389029247 /nfs/dbraw/zinc/02/92/47/389029247.db2.gz YYRGVCOMNANXKU-UHFFFAOYSA-N 2 2 293.415 0.608 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCN(C)[C@H]1CC[NH+](C2CC2)C1 ZINC000337171755 389050931 /nfs/dbraw/zinc/05/09/31/389050931.db2.gz GBBKDNYMNUTLBM-ZFWWWQNUSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@H]1COCC[N@H+]1CCN(C)[C@H]1CC[NH+](C2CC2)C1 ZINC000337171755 389050933 /nfs/dbraw/zinc/05/09/33/389050933.db2.gz GBBKDNYMNUTLBM-ZFWWWQNUSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@H]1COCC[NH+]1CCN(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000337171755 389050936 /nfs/dbraw/zinc/05/09/36/389050936.db2.gz GBBKDNYMNUTLBM-ZFWWWQNUSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@H]1COCC[NH+]1CCN(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000337171755 389050938 /nfs/dbraw/zinc/05/09/38/389050938.db2.gz GBBKDNYMNUTLBM-ZFWWWQNUSA-N 2 2 267.417 0.876 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](CCO[C@H]2CCCCO2)CC1 ZINC000193042372 389060715 /nfs/dbraw/zinc/06/07/15/389060715.db2.gz QWIGONSKMXEEID-HNNXBMFYSA-N 2 2 299.415 0.235 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH2+]CC2(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000355427533 389076887 /nfs/dbraw/zinc/07/68/87/389076887.db2.gz XQBMDIQSIHUIFP-NWDGAFQWSA-N 2 2 274.430 0.884 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH2+]CC2(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000355427533 389076889 /nfs/dbraw/zinc/07/68/89/389076889.db2.gz XQBMDIQSIHUIFP-NWDGAFQWSA-N 2 2 274.430 0.884 20 0 CCADLP COCC[NH+]1CCC(NCC[N@H+]2CC=CCC2)CC1 ZINC000355526203 389089471 /nfs/dbraw/zinc/08/94/71/389089471.db2.gz FBEDTAZLUWDVDD-UHFFFAOYSA-N 2 2 267.417 0.949 20 0 CCADLP COCC[NH+]1CCC(NCC[N@@H+]2CC=CCC2)CC1 ZINC000355526203 389089474 /nfs/dbraw/zinc/08/94/74/389089474.db2.gz FBEDTAZLUWDVDD-UHFFFAOYSA-N 2 2 267.417 0.949 20 0 CCADLP CO[C@@H](C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354945820 389034379 /nfs/dbraw/zinc/03/43/79/389034379.db2.gz CVTQHFNHMBEKKQ-OLZOCXBDSA-N 2 2 283.416 0.648 20 0 CCADLP CO[C@@H](C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354945820 389034381 /nfs/dbraw/zinc/03/43/81/389034381.db2.gz CVTQHFNHMBEKKQ-OLZOCXBDSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C[NH+](C)C)C[C@H](C)O1 ZINC000194751193 389103247 /nfs/dbraw/zinc/10/32/47/389103247.db2.gz MMNWDNSENUDDQX-TXEJJXNPSA-N 2 2 257.378 0.116 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C[NH+](C)C)C[C@H](C)O1 ZINC000194751193 389103250 /nfs/dbraw/zinc/10/32/50/389103250.db2.gz MMNWDNSENUDDQX-TXEJJXNPSA-N 2 2 257.378 0.116 20 0 CCADLP CCCN(CCC)C(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313387515 389114118 /nfs/dbraw/zinc/11/41/18/389114118.db2.gz LELZWDISYHWAIS-ZDUSSCGKSA-N 2 2 271.405 0.685 20 0 CCADLP CCCN(CCC)C(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313387515 389114120 /nfs/dbraw/zinc/11/41/20/389114120.db2.gz LELZWDISYHWAIS-ZDUSSCGKSA-N 2 2 271.405 0.685 20 0 CCADLP C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000357236084 389132346 /nfs/dbraw/zinc/13/23/46/389132346.db2.gz SPPLQMVNEMUCBJ-MCIONIFRSA-N 2 2 283.416 0.648 20 0 CCADLP CN(C)C(=O)CN1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)CC1 ZINC000119080865 389138109 /nfs/dbraw/zinc/13/81/09/389138109.db2.gz WCXICVSTFKRFQG-HNNXBMFYSA-N 2 2 296.459 0.567 20 0 CCADLP CN(C)C(=O)CN1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)CC1 ZINC000119080865 389138113 /nfs/dbraw/zinc/13/81/13/389138113.db2.gz WCXICVSTFKRFQG-HNNXBMFYSA-N 2 2 296.459 0.567 20 0 CCADLP CN(C)C(=O)CN1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000119080865 389138115 /nfs/dbraw/zinc/13/81/15/389138115.db2.gz WCXICVSTFKRFQG-HNNXBMFYSA-N 2 2 296.459 0.567 20 0 CCADLP CN(C)C(=O)CN1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000119080865 389138117 /nfs/dbraw/zinc/13/81/17/389138117.db2.gz WCXICVSTFKRFQG-HNNXBMFYSA-N 2 2 296.459 0.567 20 0 CCADLP C[C@@H](CNC(=O)C1([NH+]2CCOCC2)CCC1)C[NH+](C)C ZINC000341302515 389187157 /nfs/dbraw/zinc/18/71/57/389187157.db2.gz NIHXVVRQYHFHTK-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP CCNC(=O)C[N@H+](CC)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000227800222 389152108 /nfs/dbraw/zinc/15/21/08/389152108.db2.gz SXCICQMPOOYMLF-GJZGRUSLSA-N 2 2 293.411 0.375 20 0 CCADLP CCNC(=O)C[N@@H+](CC)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000227800222 389152110 /nfs/dbraw/zinc/15/21/10/389152110.db2.gz SXCICQMPOOYMLF-GJZGRUSLSA-N 2 2 293.411 0.375 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H](C)[N@H+]1C ZINC000358662732 389157985 /nfs/dbraw/zinc/15/79/85/389157985.db2.gz JPEFQTUUWORBGC-FRRDWIJNSA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H](C)[N@@H+]1C ZINC000358662732 389157986 /nfs/dbraw/zinc/15/79/86/389157986.db2.gz JPEFQTUUWORBGC-FRRDWIJNSA-N 2 2 276.384 0.997 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NCC2=CC[N@H+](C)CC2)no1 ZINC000359500010 389175168 /nfs/dbraw/zinc/17/51/68/389175168.db2.gz OBKCTGCZLAXHCW-UHFFFAOYSA-N 2 2 278.356 0.728 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NCC2=CC[N@@H+](C)CC2)no1 ZINC000359500010 389175170 /nfs/dbraw/zinc/17/51/70/389175170.db2.gz OBKCTGCZLAXHCW-UHFFFAOYSA-N 2 2 278.356 0.728 20 0 CCADLP C[C@@]1(CNC(=O)CCn2cc[nH+]c2)CCC[NH2+]C1 ZINC000128963668 389179060 /nfs/dbraw/zinc/17/90/60/389179060.db2.gz UBJMETJZNZBVCL-CYBMUJFWSA-N 2 2 250.346 0.779 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C2CCN(C(N)=O)CC2)C1 ZINC000342861055 389254544 /nfs/dbraw/zinc/25/45/44/389254544.db2.gz KSZSFXLRFAOIOI-CQSZACIVSA-N 2 2 298.431 0.476 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C2CCN(C(N)=O)CC2)C1 ZINC000342861055 389254546 /nfs/dbraw/zinc/25/45/46/389254546.db2.gz KSZSFXLRFAOIOI-CQSZACIVSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000136662572 389267993 /nfs/dbraw/zinc/26/79/93/389267993.db2.gz BXSYYMJAIPOZNU-HUUCEWRRSA-N 2 2 297.443 0.944 20 0 CCADLP C[N@H+](CC(=O)NCCn1cc[nH+]c1)[C@H]1CCSC1 ZINC000135884589 389262762 /nfs/dbraw/zinc/26/27/62/389262762.db2.gz PICYJGAGGDFGFP-NSHDSACASA-N 2 2 268.386 0.437 20 0 CCADLP C[N@@H+](CC(=O)NCCn1cc[nH+]c1)[C@H]1CCSC1 ZINC000135884589 389262763 /nfs/dbraw/zinc/26/27/63/389262763.db2.gz PICYJGAGGDFGFP-NSHDSACASA-N 2 2 268.386 0.437 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC2CCOCC2)[C@@H](C)C1 ZINC000245425951 389207462 /nfs/dbraw/zinc/20/74/62/389207462.db2.gz KZSUVUFKYZOBAE-ZFWWWQNUSA-N 2 2 297.443 0.944 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC2CCOCC2)[C@@H](C)C1 ZINC000245425951 389207464 /nfs/dbraw/zinc/20/74/64/389207464.db2.gz KZSUVUFKYZOBAE-ZFWWWQNUSA-N 2 2 297.443 0.944 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC2CCOCC2)[C@@H](C)C1 ZINC000245425951 389207467 /nfs/dbraw/zinc/20/74/67/389207467.db2.gz KZSUVUFKYZOBAE-ZFWWWQNUSA-N 2 2 297.443 0.944 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC2CCOCC2)[C@@H](C)C1 ZINC000245425951 389207469 /nfs/dbraw/zinc/20/74/69/389207469.db2.gz KZSUVUFKYZOBAE-ZFWWWQNUSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1CC[N@H+]1CCCOCC1 ZINC000361395808 389214819 /nfs/dbraw/zinc/21/48/19/389214819.db2.gz QBYQTBNXSCFKRF-JKSUJKDBSA-N 2 2 297.443 0.504 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@](C)(O)C2)CC1 ZINC000245887785 389219840 /nfs/dbraw/zinc/21/98/40/389219840.db2.gz JCQBQUHJNHNBIS-ZFWWWQNUSA-N 2 2 283.416 0.386 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@](C)(O)C2)CC1 ZINC000245887785 389219842 /nfs/dbraw/zinc/21/98/42/389219842.db2.gz JCQBQUHJNHNBIS-ZFWWWQNUSA-N 2 2 283.416 0.386 20 0 CCADLP CCC[C@H]1C[NH2+]CCN1C(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000362565723 389238624 /nfs/dbraw/zinc/23/86/24/389238624.db2.gz UWQLVLDMOGXVKU-RYUDHWBXSA-N 2 2 291.399 0.701 20 0 CCADLP CCNC(=O)CC[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000362705731 389240124 /nfs/dbraw/zinc/24/01/24/389240124.db2.gz ZAOTVKQBKRJODJ-GJZGRUSLSA-N 2 2 296.459 0.470 20 0 CCADLP CCNC(=O)CC[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000362705731 389240126 /nfs/dbraw/zinc/24/01/26/389240126.db2.gz ZAOTVKQBKRJODJ-GJZGRUSLSA-N 2 2 296.459 0.470 20 0 CCADLP CC[NH+]1CCN([C@H](C)CNc2nc(N(C)C)cc[nH+]2)CC1 ZINC000301710148 285336221 /nfs/dbraw/zinc/33/62/21/285336221.db2.gz XJSNRGHENYZVJM-CYBMUJFWSA-N 2 2 292.431 0.981 20 0 CCADLP CC(C)C[NH+]1CCN(C(=O)NCc2[nH+]ccn2C)CC1 ZINC000264231530 389314150 /nfs/dbraw/zinc/31/41/50/389314150.db2.gz VUVPUOPDYFVSCW-UHFFFAOYSA-N 2 2 279.388 0.903 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000139602969 389272807 /nfs/dbraw/zinc/27/28/07/389272807.db2.gz WJORYQYXKQOJOU-ZDUSSCGKSA-N 2 2 270.336 0.955 20 0 CCADLP CC(=O)NCCC[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000343920779 389276319 /nfs/dbraw/zinc/27/63/19/389276319.db2.gz IGTPLRDIBZFING-GOEBONIOSA-N 2 2 296.459 0.470 20 0 CCADLP CC(=O)NCCC[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000343920779 389276322 /nfs/dbraw/zinc/27/63/22/389276322.db2.gz IGTPLRDIBZFING-GOEBONIOSA-N 2 2 296.459 0.470 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](CO)c2ccsc2)CC1 ZINC000331023683 389286831 /nfs/dbraw/zinc/28/68/31/389286831.db2.gz UPBDWDOMLBGWFS-LBPRGKRZSA-N 2 2 283.397 0.145 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCN1CCO[C@H]2CC[NH+](C)C[C@@H]21 ZINC000345025375 389287273 /nfs/dbraw/zinc/28/72/73/389287273.db2.gz ZCWODYWENJAPGO-ILXRZTDVSA-N 2 2 283.416 0.112 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCN1CCO[C@H]2CC[NH+](C)C[C@@H]21 ZINC000345025375 389287275 /nfs/dbraw/zinc/28/72/75/389287275.db2.gz ZCWODYWENJAPGO-ILXRZTDVSA-N 2 2 283.416 0.112 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN1CCO[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000345025375 389287277 /nfs/dbraw/zinc/28/72/77/389287277.db2.gz ZCWODYWENJAPGO-ILXRZTDVSA-N 2 2 283.416 0.112 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN1CCO[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000345025375 389287280 /nfs/dbraw/zinc/28/72/80/389287280.db2.gz ZCWODYWENJAPGO-ILXRZTDVSA-N 2 2 283.416 0.112 20 0 CCADLP C[N@@H+](CC(=O)NCC1CC1)C[C@@H]1CCC[NH+](C)C1 ZINC000152371199 389289564 /nfs/dbraw/zinc/28/95/64/389289564.db2.gz WWJQJOIHEASPFI-CYBMUJFWSA-N 2 2 253.390 0.786 20 0 CCADLP C[N@H+](CC(=O)NCC1CC1)C[C@@H]1CCC[NH+](C)C1 ZINC000152371199 389289565 /nfs/dbraw/zinc/28/95/65/389289565.db2.gz WWJQJOIHEASPFI-CYBMUJFWSA-N 2 2 253.390 0.786 20 0 CCADLP C[NH+](CC(=O)NCC1CC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152371199 389289566 /nfs/dbraw/zinc/28/95/66/389289566.db2.gz WWJQJOIHEASPFI-CYBMUJFWSA-N 2 2 253.390 0.786 20 0 CCADLP C[NH+](CC(=O)NCC1CC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152371199 389289567 /nfs/dbraw/zinc/28/95/67/389289567.db2.gz WWJQJOIHEASPFI-CYBMUJFWSA-N 2 2 253.390 0.786 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366561606 389304314 /nfs/dbraw/zinc/30/43/14/389304314.db2.gz SHXYXYLCNLULHU-DOMZBBRYSA-N 2 2 296.415 0.637 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366561606 389304318 /nfs/dbraw/zinc/30/43/18/389304318.db2.gz SHXYXYLCNLULHU-DOMZBBRYSA-N 2 2 296.415 0.637 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366561606 389304320 /nfs/dbraw/zinc/30/43/20/389304320.db2.gz SHXYXYLCNLULHU-DOMZBBRYSA-N 2 2 296.415 0.637 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366561606 389304323 /nfs/dbraw/zinc/30/43/23/389304323.db2.gz SHXYXYLCNLULHU-DOMZBBRYSA-N 2 2 296.415 0.637 20 0 CCADLP C[C@H]1CC[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1C[NH3+] ZINC000331400462 389304397 /nfs/dbraw/zinc/30/43/97/389304397.db2.gz NOIVSXYNPLFXCG-NWDGAFQWSA-N 2 2 274.430 0.728 20 0 CCADLP C[C@H]1CC[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1C[NH3+] ZINC000331400462 389304399 /nfs/dbraw/zinc/30/43/99/389304399.db2.gz NOIVSXYNPLFXCG-NWDGAFQWSA-N 2 2 274.430 0.728 20 0 CCADLP CCOCCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369392681 389395526 /nfs/dbraw/zinc/39/55/26/389395526.db2.gz IYTTVHRILJJTFR-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CCOCCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369392681 389395530 /nfs/dbraw/zinc/39/55/30/389395530.db2.gz IYTTVHRILJJTFR-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH2+]CCCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000269120858 389403059 /nfs/dbraw/zinc/40/30/59/389403059.db2.gz BSUAUNYVOBIQJI-UHFFFAOYSA-N 2 2 291.395 0.858 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000264679066 389344958 /nfs/dbraw/zinc/34/49/58/389344958.db2.gz YXULOEOAOOGBLN-LBPRGKRZSA-N 2 2 262.357 0.874 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000264679066 389344963 /nfs/dbraw/zinc/34/49/63/389344963.db2.gz YXULOEOAOOGBLN-LBPRGKRZSA-N 2 2 262.357 0.874 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@@H](C)C1 ZINC000367714529 389349976 /nfs/dbraw/zinc/34/99/76/389349976.db2.gz CIWGEGWRYIZZEI-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@@H](C)C1 ZINC000367714529 389349978 /nfs/dbraw/zinc/34/99/78/389349978.db2.gz CIWGEGWRYIZZEI-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158805346 389351932 /nfs/dbraw/zinc/35/19/32/389351932.db2.gz QSVSRNIHNKKONX-OLZOCXBDSA-N 2 2 296.415 0.638 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158805346 389351936 /nfs/dbraw/zinc/35/19/36/389351936.db2.gz QSVSRNIHNKKONX-OLZOCXBDSA-N 2 2 296.415 0.638 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158805346 389351940 /nfs/dbraw/zinc/35/19/40/389351940.db2.gz QSVSRNIHNKKONX-OLZOCXBDSA-N 2 2 296.415 0.638 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158805346 389351945 /nfs/dbraw/zinc/35/19/45/389351945.db2.gz QSVSRNIHNKKONX-OLZOCXBDSA-N 2 2 296.415 0.638 20 0 CCADLP CCC[C@H](C(=O)NCC[N@@H+]1CCO[C@@H](CC)C1)[NH+](C)C ZINC000347646740 389355476 /nfs/dbraw/zinc/35/54/76/389355476.db2.gz DWFKZPNHAXRTQP-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP CCC[C@H](C(=O)NCC[N@H+]1CCO[C@@H](CC)C1)[NH+](C)C ZINC000347646740 389355482 /nfs/dbraw/zinc/35/54/82/389355482.db2.gz DWFKZPNHAXRTQP-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP O=C(N[C@H]1CCC[NH2+]C1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000422728821 389460930 /nfs/dbraw/zinc/46/09/30/389460930.db2.gz JQGRFVYDTXWQJF-UONOGXRCSA-N 2 2 281.400 0.356 20 0 CCADLP O=C(N[C@H]1CCC[NH2+]C1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000422728821 389460934 /nfs/dbraw/zinc/46/09/34/389460934.db2.gz JQGRFVYDTXWQJF-UONOGXRCSA-N 2 2 281.400 0.356 20 0 CCADLP CCCNC(=O)CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422736083 389462494 /nfs/dbraw/zinc/46/24/94/389462494.db2.gz XEDRXAHINTUJAL-JSGCOSHPSA-N 2 2 269.389 0.259 20 0 CCADLP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000422860561 389493551 /nfs/dbraw/zinc/49/35/51/389493551.db2.gz LOPYQPIKKLBDGC-ZNMIVQPWSA-N 3 2 268.449 0.743 20 0 CCADLP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422740778 389463773 /nfs/dbraw/zinc/46/37/73/389463773.db2.gz NEILELODWNJAQT-HOCLYGCPSA-N 3 2 282.476 0.990 20 0 CCADLP C[NH+]1CCC(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000422742815 389464086 /nfs/dbraw/zinc/46/40/86/389464086.db2.gz QQAJOOBQTUOSRR-LSDHHAIUSA-N 3 2 267.417 0.685 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCCC[NH+]1CCCCC1 ZINC000422780061 389473255 /nfs/dbraw/zinc/47/32/55/389473255.db2.gz GRTBSJDPHIVNDX-ZIAGYGMSSA-N 2 2 283.416 0.746 20 0 CCADLP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000422804066 389478466 /nfs/dbraw/zinc/47/84/66/389478466.db2.gz HDHAZLXYGYOXRN-ZFWWWQNUSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000422804066 389478469 /nfs/dbraw/zinc/47/84/69/389478469.db2.gz HDHAZLXYGYOXRN-ZFWWWQNUSA-N 2 2 295.427 0.698 20 0 CCADLP CN(C(=O)NCC[NH+]1CCOCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349780672 389434467 /nfs/dbraw/zinc/43/44/67/389434467.db2.gz XIEHASICAAGDPK-CQSZACIVSA-N 2 2 296.415 0.197 20 0 CCADLP CN(C(=O)NCC[NH+]1CCOCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000349780672 389434471 /nfs/dbraw/zinc/43/44/71/389434471.db2.gz XIEHASICAAGDPK-CQSZACIVSA-N 2 2 296.415 0.197 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000333718752 389441527 /nfs/dbraw/zinc/44/15/27/389441527.db2.gz HRRDKZOVGNUBBQ-MCIONIFRSA-N 2 2 296.415 0.243 20 0 CCADLP C[N@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000333718752 389441532 /nfs/dbraw/zinc/44/15/32/389441532.db2.gz HRRDKZOVGNUBBQ-MCIONIFRSA-N 2 2 296.415 0.243 20 0 CCADLP C[NH+]1CCC[C@@H]1CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000333718752 389441536 /nfs/dbraw/zinc/44/15/36/389441536.db2.gz HRRDKZOVGNUBBQ-MCIONIFRSA-N 2 2 296.415 0.243 20 0 CCADLP C[NH+]1CCC[C@@H]1CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000333718752 389441540 /nfs/dbraw/zinc/44/15/40/389441540.db2.gz HRRDKZOVGNUBBQ-MCIONIFRSA-N 2 2 296.415 0.243 20 0 CCADLP Cc1cc(CNC(=O)NC[C@@H]2C[NH2+]CCN2C)cc(C)[nH+]1 ZINC000422604320 389445397 /nfs/dbraw/zinc/44/53/97/389445397.db2.gz BOVBUTKWQIPTIX-AWEZNQCLSA-N 2 2 291.399 0.401 20 0 CCADLP O=C(NC[C@H]1CCC[NH2+]1)N1CCN(c2cccc[nH+]2)CC1 ZINC000333835019 389445630 /nfs/dbraw/zinc/44/56/30/389445630.db2.gz NEYYTCHXYKNMBJ-CYBMUJFWSA-N 2 2 289.383 0.665 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000422689995 389452681 /nfs/dbraw/zinc/45/26/81/389452681.db2.gz FZIWJTCRKFYUMM-STQMWFEESA-N 2 2 269.389 0.437 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000422689995 389452686 /nfs/dbraw/zinc/45/26/86/389452686.db2.gz FZIWJTCRKFYUMM-STQMWFEESA-N 2 2 269.389 0.437 20 0 CCADLP CCn1cc[nH+]c1CN1CC[N@H+](C)C[C@@H](C(=O)OC)C1 ZINC000411904499 389457839 /nfs/dbraw/zinc/45/78/39/389457839.db2.gz MCSZPUZVJSOECI-GFCCVEGCSA-N 2 2 280.372 0.440 20 0 CCADLP CCn1cc[nH+]c1CN1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000411904499 389457845 /nfs/dbraw/zinc/45/78/45/389457845.db2.gz MCSZPUZVJSOECI-GFCCVEGCSA-N 2 2 280.372 0.440 20 0 CCADLP NC(=O)N[C@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000272033550 389459491 /nfs/dbraw/zinc/45/94/91/389459491.db2.gz ZDCZSRVTJPXMJI-JTQLQIEISA-N 2 2 259.313 0.577 20 0 CCADLP NC(=O)N[C@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000272033550 389459494 /nfs/dbraw/zinc/45/94/94/389459494.db2.gz ZDCZSRVTJPXMJI-JTQLQIEISA-N 2 2 259.313 0.577 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCN(C)C(=O)C1(C)C ZINC000334831153 389505518 /nfs/dbraw/zinc/50/55/18/389505518.db2.gz AZYLGXAETPLUIO-UHFFFAOYSA-N 2 2 250.346 0.515 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCN(C)C(=O)C1(C)C ZINC000334831153 389505521 /nfs/dbraw/zinc/50/55/21/389505521.db2.gz AZYLGXAETPLUIO-UHFFFAOYSA-N 2 2 250.346 0.515 20 0 CCADLP C[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1c[nH+]ccc1N ZINC000422924020 389506630 /nfs/dbraw/zinc/50/66/30/389506630.db2.gz XLKWDIMVAANPPT-UWVGGRQHSA-N 2 2 260.341 0.908 20 0 CCADLP CCC[C@](C)(O)C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422977158 389514739 /nfs/dbraw/zinc/51/47/39/389514739.db2.gz JPMQFYKSMSMNAX-MJBXVCDLSA-N 2 2 256.390 0.894 20 0 CCADLP COC(=O)[C@H]1CN(c2cc(C)[nH+]c(C)n2)CC[N@H+](C)C1 ZINC000413504006 389523946 /nfs/dbraw/zinc/52/39/46/389523946.db2.gz SXHLQYDSNXSXRD-GFCCVEGCSA-N 2 2 278.356 0.634 20 0 CCADLP COC(=O)[C@H]1CN(c2cc(C)[nH+]c(C)n2)CC[N@@H+](C)C1 ZINC000413504006 389523950 /nfs/dbraw/zinc/52/39/50/389523950.db2.gz SXHLQYDSNXSXRD-GFCCVEGCSA-N 2 2 278.356 0.634 20 0 CCADLP CC1=CC[N@H+](CCN[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000423029423 389525037 /nfs/dbraw/zinc/52/50/37/389525037.db2.gz AEGPMHQAOPPMPQ-HOTGVXAUSA-N 2 2 279.428 0.995 20 0 CCADLP CC1=CC[N@@H+](CCN[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000423029423 389525038 /nfs/dbraw/zinc/52/50/38/389525038.db2.gz AEGPMHQAOPPMPQ-HOTGVXAUSA-N 2 2 279.428 0.995 20 0 CCADLP CC1=CCN(CC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000423029423 389525039 /nfs/dbraw/zinc/52/50/39/389525039.db2.gz AEGPMHQAOPPMPQ-HOTGVXAUSA-N 2 2 279.428 0.995 20 0 CCADLP COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000423083982 389531428 /nfs/dbraw/zinc/53/14/28/389531428.db2.gz GSDNXRCAHNFCKS-RFQIPJPRSA-N 2 2 282.384 0.685 20 0 CCADLP O=C1CO[C@@H]2CC[N@H+](CCC[NH+]3CCCCC3)C[C@H]2N1 ZINC000373968881 389531746 /nfs/dbraw/zinc/53/17/46/389531746.db2.gz NOCQJKFMKZNFLY-ZIAGYGMSSA-N 2 2 281.400 0.452 20 0 CCADLP O=C1CO[C@@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C[C@H]2N1 ZINC000373968881 389531752 /nfs/dbraw/zinc/53/17/52/389531752.db2.gz NOCQJKFMKZNFLY-ZIAGYGMSSA-N 2 2 281.400 0.452 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000423093022 389534146 /nfs/dbraw/zinc/53/41/46/389534146.db2.gz FHKHNPIVEPNEAL-NEXFUWMNSA-N 2 2 295.427 0.887 20 0 CCADLP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000423093022 389534148 /nfs/dbraw/zinc/53/41/48/389534148.db2.gz FHKHNPIVEPNEAL-NEXFUWMNSA-N 2 2 295.427 0.887 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@H](C)C[N@H+](C)C(C)C ZINC000423122698 389538910 /nfs/dbraw/zinc/53/89/10/389538910.db2.gz KZQZTXNGAOZUDH-FRRDWIJNSA-N 2 2 271.405 0.598 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@H](C)C[N@@H+](C)C(C)C ZINC000423122698 389538913 /nfs/dbraw/zinc/53/89/13/389538913.db2.gz KZQZTXNGAOZUDH-FRRDWIJNSA-N 2 2 271.405 0.598 20 0 CCADLP CCO[C@H]1C[C@@H]([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000423159790 389546667 /nfs/dbraw/zinc/54/66/67/389546667.db2.gz GLBXTGVAEPFBOT-CRWXNKLISA-N 2 2 254.374 0.911 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCCN2CC[NH2+]CC2)C[N@@H+]1C1CC1 ZINC000423176369 389549330 /nfs/dbraw/zinc/54/93/30/389549330.db2.gz GZROZXGHACSHSC-UONOGXRCSA-N 3 2 266.433 0.497 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCCN2CC[NH2+]CC2)C[N@H+]1C1CC1 ZINC000423176369 389549335 /nfs/dbraw/zinc/54/93/35/389549335.db2.gz GZROZXGHACSHSC-UONOGXRCSA-N 3 2 266.433 0.497 20 0 CCADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(-n2cnnn2)cc1 ZINC000423204178 389552032 /nfs/dbraw/zinc/55/20/32/389552032.db2.gz NXGIFOPLWBABRB-CMPLNLGQSA-N 2 2 258.329 0.675 20 0 CCADLP CC[NH2+]CC[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000423253488 389557766 /nfs/dbraw/zinc/55/77/66/389557766.db2.gz ZEZYEHNMMJECMF-LLVKDONJSA-N 2 2 260.345 0.922 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000422867296 389495996 /nfs/dbraw/zinc/49/59/96/389495996.db2.gz RZYLYCGXRQVCEC-MGPQQGTHSA-N 2 2 283.416 0.731 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000422867296 389496003 /nfs/dbraw/zinc/49/60/03/389496003.db2.gz RZYLYCGXRQVCEC-MGPQQGTHSA-N 2 2 283.416 0.731 20 0 CCADLP O=S(=O)(C1CC1)N1CCC[N@H+](CCn2cc[nH+]c2)CC1 ZINC000374829761 389611762 /nfs/dbraw/zinc/61/17/62/389611762.db2.gz PEXRXFHSVRSCIM-UHFFFAOYSA-N 2 2 298.412 0.383 20 0 CCADLP O=S(=O)(C1CC1)N1CCC[N@@H+](CCn2cc[nH+]c2)CC1 ZINC000374829761 389611766 /nfs/dbraw/zinc/61/17/66/389611766.db2.gz PEXRXFHSVRSCIM-UHFFFAOYSA-N 2 2 298.412 0.383 20 0 CCADLP Cc1ccn2c(C[NH2+]C[C@@H]3C[NH2+]CCN3C)cnc2c1 ZINC000414959379 389647812 /nfs/dbraw/zinc/64/78/12/389647812.db2.gz FFKNTMNIOXTSEL-ZDUSSCGKSA-N 2 2 273.384 0.636 20 0 CCADLP C[NH+](C)CC1(NC(=O)CCc2c[nH+]c[nH]2)CCC1 ZINC000281861290 389630089 /nfs/dbraw/zinc/63/00/89/389630089.db2.gz YVGBMNNJEKJEDQ-UHFFFAOYSA-N 2 2 250.346 0.943 20 0 CCADLP C[NH+](C)CC1(NC(=O)CCc2c[nH]c[nH+]2)CCC1 ZINC000281861290 389630094 /nfs/dbraw/zinc/63/00/94/389630094.db2.gz YVGBMNNJEKJEDQ-UHFFFAOYSA-N 2 2 250.346 0.943 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000414743829 389634404 /nfs/dbraw/zinc/63/44/04/389634404.db2.gz PFLRIKWXEDACTM-MNOVXSKESA-N 2 2 263.407 0.113 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000414743829 389634408 /nfs/dbraw/zinc/63/44/08/389634408.db2.gz PFLRIKWXEDACTM-MNOVXSKESA-N 2 2 263.407 0.113 20 0 CCADLP COC(=O)CCn1nc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)c1C ZINC000414767589 389636961 /nfs/dbraw/zinc/63/69/61/389636961.db2.gz JDIIQAXWLOTSCV-TZMCWYRMSA-N 2 2 294.399 0.985 20 0 CCADLP COC(=O)CCn1nc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)c1C ZINC000414767589 389636964 /nfs/dbraw/zinc/63/69/64/389636964.db2.gz JDIIQAXWLOTSCV-TZMCWYRMSA-N 2 2 294.399 0.985 20 0 CCADLP COC(=O)c1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)[nH]1 ZINC000414929126 389644744 /nfs/dbraw/zinc/64/47/44/389644744.db2.gz NQWXPPMIMMLDIP-JOYOIKCWSA-N 2 2 251.330 0.889 20 0 CCADLP C(C[C@H]1CCC[NH2+]1)[NH2+][C@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423355253 389572596 /nfs/dbraw/zinc/57/25/96/389572596.db2.gz FBPUIUHKAQUTKA-CBBWQLFWSA-N 3 2 267.417 0.875 20 0 CCADLP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423363033 389573838 /nfs/dbraw/zinc/57/38/38/389573838.db2.gz IRHXEARTSRDKLX-WDEREUQCSA-N 2 2 285.413 0.935 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCO[C@@H](C(N)=O)C1 ZINC000351640196 389645350 /nfs/dbraw/zinc/64/53/50/389645350.db2.gz TVLFBTJWNXSHEP-NWDGAFQWSA-N 2 2 255.362 0.047 20 0 CCADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCO[C@@H](C(N)=O)C1 ZINC000351640196 389645354 /nfs/dbraw/zinc/64/53/54/389645354.db2.gz TVLFBTJWNXSHEP-NWDGAFQWSA-N 2 2 255.362 0.047 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000351640196 389645356 /nfs/dbraw/zinc/64/53/56/389645356.db2.gz TVLFBTJWNXSHEP-NWDGAFQWSA-N 2 2 255.362 0.047 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000351640196 389645360 /nfs/dbraw/zinc/64/53/60/389645360.db2.gz TVLFBTJWNXSHEP-NWDGAFQWSA-N 2 2 255.362 0.047 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000351478970 389586636 /nfs/dbraw/zinc/58/66/36/389586636.db2.gz QFILSTMRGFTCAA-AJNGGQMLSA-N 3 2 294.443 0.208 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000351478970 389586639 /nfs/dbraw/zinc/58/66/39/389586639.db2.gz QFILSTMRGFTCAA-AJNGGQMLSA-N 3 2 294.443 0.208 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])C2CCC2)C[C@H]1[NH+]1CCOCC1 ZINC000423435765 389587010 /nfs/dbraw/zinc/58/70/10/389587010.db2.gz RQQWXRHTRHAEDL-BNOWGMLFSA-N 2 2 281.400 0.293 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351480923 389588112 /nfs/dbraw/zinc/58/81/12/389588112.db2.gz WJMVDJLLHMJZBJ-AVGNSLFASA-N 2 2 274.430 0.869 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351480923 389588114 /nfs/dbraw/zinc/58/81/14/389588114.db2.gz WJMVDJLLHMJZBJ-AVGNSLFASA-N 2 2 274.430 0.869 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)Cn2cc[nH+]c2)C1 ZINC000351507557 389598523 /nfs/dbraw/zinc/59/85/23/389598523.db2.gz OXEKKYOKIFSNIX-NEPJUHHUSA-N 2 2 266.345 0.109 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)Cn2cc[nH+]c2)C1 ZINC000351507557 389598528 /nfs/dbraw/zinc/59/85/28/389598528.db2.gz OXEKKYOKIFSNIX-NEPJUHHUSA-N 2 2 266.345 0.109 20 0 CCADLP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1c[nH+]c(N(C)C)n1C ZINC000425373252 389646150 /nfs/dbraw/zinc/64/61/50/389646150.db2.gz VAWRWGDBLKJRNE-QWHCGFSZSA-N 2 2 295.431 0.373 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1c[nH+]c(N(C)C)n1C ZINC000425373252 389646156 /nfs/dbraw/zinc/64/61/56/389646156.db2.gz VAWRWGDBLKJRNE-QWHCGFSZSA-N 2 2 295.431 0.373 20 0 CCADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[NH2+]CCO2)C12CCC2 ZINC000423541309 389601562 /nfs/dbraw/zinc/60/15/62/389601562.db2.gz APMNVVHKQCCPMG-YNEHKIRRSA-N 2 2 254.374 0.912 20 0 CCADLP CO[C@@H]1COCC[C@H]1C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425374615 389646519 /nfs/dbraw/zinc/64/65/19/389646519.db2.gz XNYMRHRQIRWGRE-WCQYABFASA-N 2 2 282.388 0.627 20 0 CCADLP CC(C)(C[NH3+])NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000428888634 389725187 /nfs/dbraw/zinc/72/51/87/389725187.db2.gz SHPLQUKTUBEXKR-UHFFFAOYSA-N 2 2 291.395 0.986 20 0 CCADLP COCCCNC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375791018 389713818 /nfs/dbraw/zinc/71/38/18/389713818.db2.gz XJUDZHDKODXGIF-PBWFPOADSA-N 2 2 283.416 0.696 20 0 CCADLP COCCCNC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375791018 389713822 /nfs/dbraw/zinc/71/38/22/389713822.db2.gz XJUDZHDKODXGIF-PBWFPOADSA-N 2 2 283.416 0.696 20 0 CCADLP COCCCNC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375791018 389713824 /nfs/dbraw/zinc/71/38/24/389713824.db2.gz XJUDZHDKODXGIF-PBWFPOADSA-N 2 2 283.416 0.696 20 0 CCADLP COCCCNC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375791018 389713826 /nfs/dbraw/zinc/71/38/26/389713826.db2.gz XJUDZHDKODXGIF-PBWFPOADSA-N 2 2 283.416 0.696 20 0 CCADLP c1cn(CCCN2CC[NH+](C[C@@H]3CCOC3)CC2)c[nH+]1 ZINC000182826679 389718269 /nfs/dbraw/zinc/71/82/69/389718269.db2.gz WYPYLNDVMBYRCB-HNNXBMFYSA-N 2 2 278.400 0.927 20 0 CCADLP COCCn1cc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cn1 ZINC000415057799 389653989 /nfs/dbraw/zinc/65/39/89/389653989.db2.gz UIULHDVVIJFMFB-LBPRGKRZSA-N 2 2 254.378 0.993 20 0 CCADLP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2C[NH2+]CCO2)CC1 ZINC000415097898 389658687 /nfs/dbraw/zinc/65/86/87/389658687.db2.gz UITFBEMMZIOFQN-ZDUSSCGKSA-N 3 2 255.406 0.827 20 0 CCADLP CCN(C)c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)cn1 ZINC000415099354 389659610 /nfs/dbraw/zinc/65/96/10/389659610.db2.gz XYZYJGFSHAAHCH-ZDUSSCGKSA-N 2 2 264.373 0.616 20 0 CCADLP COC(=O)C(C)(C)CC[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000415109968 389660843 /nfs/dbraw/zinc/66/08/43/389660843.db2.gz OKSDOKHCDBHPIR-NSHDSACASA-N 2 2 258.362 0.625 20 0 CCADLP COC(=O)C(C)(C)CC[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000415109968 389660844 /nfs/dbraw/zinc/66/08/44/389660844.db2.gz OKSDOKHCDBHPIR-NSHDSACASA-N 2 2 258.362 0.625 20 0 CCADLP NC(=O)[C@@H](C[NH2+][C@@H]1CC[NH2+]C1)Cc1ccc(F)cc1 ZINC000415112507 389660899 /nfs/dbraw/zinc/66/08/99/389660899.db2.gz SAZKBCQEXIIMLH-DGCLKSJQSA-N 2 2 265.332 0.421 20 0 CCADLP COCC1(CNC(=O)Nc2cc[nH+]cc2C)CC[NH2+]CC1 ZINC000415382693 389680426 /nfs/dbraw/zinc/68/04/26/389680426.db2.gz KYIVENVNXJMVMX-UHFFFAOYSA-N 2 2 292.383 0.950 20 0 CCADLP CCC[N@H+](CC)CCNC(=O)NC[C@@H]1CN(C)CC[NH+]1C ZINC000351783997 389680523 /nfs/dbraw/zinc/68/05/23/389680523.db2.gz NELAYFWYDHAWDU-CQSZACIVSA-N 2 2 299.463 0.263 20 0 CCADLP CCC[N@@H+](CC)CCNC(=O)NC[C@@H]1CN(C)CC[NH+]1C ZINC000351783997 389680527 /nfs/dbraw/zinc/68/05/27/389680527.db2.gz NELAYFWYDHAWDU-CQSZACIVSA-N 2 2 299.463 0.263 20 0 CCADLP CCC[NH+](CC)CCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000351783997 389680531 /nfs/dbraw/zinc/68/05/31/389680531.db2.gz NELAYFWYDHAWDU-CQSZACIVSA-N 2 2 299.463 0.263 20 0 CCADLP CCC[NH+](CC)CCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000351783997 389680534 /nfs/dbraw/zinc/68/05/34/389680534.db2.gz NELAYFWYDHAWDU-CQSZACIVSA-N 2 2 299.463 0.263 20 0 CCADLP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000415500039 389687935 /nfs/dbraw/zinc/68/79/35/389687935.db2.gz RTTYVOFQGLNJAH-GFCCVEGCSA-N 2 2 290.367 0.847 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000428512073 389703351 /nfs/dbraw/zinc/70/33/51/389703351.db2.gz GDMDXOFFTFLWSM-KBPBESRZSA-N 2 2 283.416 0.386 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000428512073 389703354 /nfs/dbraw/zinc/70/33/54/389703354.db2.gz GDMDXOFFTFLWSM-KBPBESRZSA-N 2 2 283.416 0.386 20 0 CCADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000428520319 389704150 /nfs/dbraw/zinc/70/41/50/389704150.db2.gz GSOAHSKTKZPLHK-MELADBBJSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000428520319 389704155 /nfs/dbraw/zinc/70/41/55/389704155.db2.gz GSOAHSKTKZPLHK-MELADBBJSA-N 2 2 283.416 0.384 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000352155341 389762448 /nfs/dbraw/zinc/76/24/48/389762448.db2.gz XLFQGSDDPKRBEX-CABCVRRESA-N 2 2 295.427 0.840 20 0 CCADLP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000352155341 389762450 /nfs/dbraw/zinc/76/24/50/389762450.db2.gz XLFQGSDDPKRBEX-CABCVRRESA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000352155341 389762452 /nfs/dbraw/zinc/76/24/52/389762452.db2.gz XLFQGSDDPKRBEX-CABCVRRESA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000352155341 389762454 /nfs/dbraw/zinc/76/24/54/389762454.db2.gz XLFQGSDDPKRBEX-CABCVRRESA-N 2 2 295.427 0.840 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000416871280 389777638 /nfs/dbraw/zinc/77/76/38/389777638.db2.gz NNCAXODGQJKWOK-NSHDSACASA-N 2 2 275.356 0.989 20 0 CCADLP CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000397458319 389778067 /nfs/dbraw/zinc/77/80/67/389778067.db2.gz OCKIALFXGSTILQ-STQMWFEESA-N 2 2 299.415 0.964 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]CCOC(F)(F)F)C1CC1 ZINC000398268294 389781299 /nfs/dbraw/zinc/78/12/99/389781299.db2.gz XOLXNOBFYHTNSR-VIFPVBQESA-N 2 2 256.268 0.568 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]CCOC(F)(F)F)C1CC1 ZINC000398268294 389781301 /nfs/dbraw/zinc/78/13/01/389781301.db2.gz XOLXNOBFYHTNSR-VIFPVBQESA-N 2 2 256.268 0.568 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000416943992 389782861 /nfs/dbraw/zinc/78/28/61/389782861.db2.gz LKQWHCPEBQJYGO-LLVKDONJSA-N 2 2 275.356 0.913 20 0 CCADLP C[NH2+]CCCNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000417006043 389788513 /nfs/dbraw/zinc/78/85/13/389788513.db2.gz FHDMCUAHDKJIGW-UHFFFAOYSA-N 2 2 265.361 0.556 20 0 CCADLP CN(C)c1ccc(CNC(=O)N[C@H]2CCC[NH2+]C2)c[nH+]1 ZINC000417006543 389789188 /nfs/dbraw/zinc/78/91/88/389789188.db2.gz JSNMVYGJRLGMIG-LBPRGKRZSA-N 2 2 277.372 0.699 20 0 CCADLP CN1CCC2(CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)CC2)C1=O ZINC000352340245 389792853 /nfs/dbraw/zinc/79/28/53/389792853.db2.gz CUEMNYQPIBZPKT-CQSZACIVSA-N 2 2 295.427 0.386 20 0 CCADLP CN1CCC2(CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)CC2)C1=O ZINC000352340245 389792856 /nfs/dbraw/zinc/79/28/56/389792856.db2.gz CUEMNYQPIBZPKT-CQSZACIVSA-N 2 2 295.427 0.386 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)NCCCNc1cccc[nH+]1 ZINC000417070371 389793192 /nfs/dbraw/zinc/79/31/92/389793192.db2.gz GGAXREYGUNUNEM-NSHDSACASA-N 2 2 265.361 0.920 20 0 CCADLP C[C@@H]1C[C@@H]1[N@@H+]1CCN(CC[NH+]2CCOCC2)C[C@@H](C)C1 ZINC000428989053 389731573 /nfs/dbraw/zinc/73/15/73/389731573.db2.gz CZUXORRMSJVACI-OAGGEKHMSA-N 2 2 281.444 0.981 20 0 CCADLP C[C@@H]1C[C@@H]1[N@H+]1CCN(CC[NH+]2CCOCC2)C[C@@H](C)C1 ZINC000428989053 389731576 /nfs/dbraw/zinc/73/15/76/389731576.db2.gz CZUXORRMSJVACI-OAGGEKHMSA-N 2 2 281.444 0.981 20 0 CCADLP [NH3+]C[C@H](NC(=O)NCC[NH+]1CCOCC1)C1CCCCC1 ZINC000416431470 389742001 /nfs/dbraw/zinc/74/20/01/389742001.db2.gz HSLSTHKTVMHYQE-AWEZNQCLSA-N 2 2 298.431 0.525 20 0 CCADLP CC1(C)CN(C(=O)NCCCn2cc[nH+]c2)CC[NH2+]1 ZINC000416444364 389744596 /nfs/dbraw/zinc/74/45/96/389744596.db2.gz IMNLNFHXRVEMIV-UHFFFAOYSA-N 2 2 265.361 0.667 20 0 CCADLP Cc1nc(N2CC[C@@H]3CC[N@H+](C)C[C@H]32)nc(N(C)C)[nH+]1 ZINC000352089238 389749771 /nfs/dbraw/zinc/74/97/71/389749771.db2.gz JFBWZNYXODYAHQ-NWDGAFQWSA-N 2 2 276.388 0.776 20 0 CCADLP Cc1nc(N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)nc(N(C)C)[nH+]1 ZINC000352089238 389749772 /nfs/dbraw/zinc/74/97/72/389749772.db2.gz JFBWZNYXODYAHQ-NWDGAFQWSA-N 2 2 276.388 0.776 20 0 CCADLP C[C@](C[NH3+])([NH2+]CC(=O)NC(=O)NCC(F)(F)F)C1CC1 ZINC000430575039 389809341 /nfs/dbraw/zinc/80/93/41/389809341.db2.gz PQDBOXPOVHEKCZ-SNVBAGLBSA-N 2 2 296.293 0.092 20 0 CCADLP C[N@H+](CC(=O)NCCCN1CCCC1=O)CC(C)(C)C[NH3+] ZINC000430575848 389809371 /nfs/dbraw/zinc/80/93/71/389809371.db2.gz APCGOUUUJKYEIQ-UHFFFAOYSA-N 2 2 298.431 0.032 20 0 CCADLP C[N@@H+](CC(=O)NCCCN1CCCC1=O)CC(C)(C)C[NH3+] ZINC000430575848 389809374 /nfs/dbraw/zinc/80/93/74/389809374.db2.gz APCGOUUUJKYEIQ-UHFFFAOYSA-N 2 2 298.431 0.032 20 0 CCADLP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000430589144 389810817 /nfs/dbraw/zinc/81/08/17/389810817.db2.gz CHZKVHVIOSGZAQ-LLVKDONJSA-N 2 2 276.340 0.147 20 0 CCADLP NC(=O)c1ccc(NC(=O)CC[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000430589144 389810820 /nfs/dbraw/zinc/81/08/20/389810820.db2.gz CHZKVHVIOSGZAQ-LLVKDONJSA-N 2 2 276.340 0.147 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H]2CCN(C(C)C)C2=O)C1 ZINC000430625881 389814040 /nfs/dbraw/zinc/81/40/40/389814040.db2.gz KSDMJYTZTQUREV-OLZOCXBDSA-N 2 2 253.390 0.927 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H]2CCN(C(C)C)C2=O)C1 ZINC000430625881 389814042 /nfs/dbraw/zinc/81/40/42/389814042.db2.gz KSDMJYTZTQUREV-OLZOCXBDSA-N 2 2 253.390 0.927 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1CCC([NH3+])CC1 ZINC000430639405 389815727 /nfs/dbraw/zinc/81/57/27/389815727.db2.gz IDKVNPPJNBUAOY-JTQLQIEISA-N 2 2 270.377 0.280 20 0 CCADLP CCCC[C@@H](C[NH3+])NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000417501551 389821592 /nfs/dbraw/zinc/82/15/92/389821592.db2.gz AJRGNINYLCDMKD-STQMWFEESA-N 2 2 286.420 0.524 20 0 CCADLP CCCC[C@@H](C[NH3+])NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000417501551 389821595 /nfs/dbraw/zinc/82/15/95/389821595.db2.gz AJRGNINYLCDMKD-STQMWFEESA-N 2 2 286.420 0.524 20 0 CCADLP C[C@H](CNC(=O)[C@H]1COCC[NH2+]1)[N@@H+]1CCCC[C@H]1C ZINC000430744660 389821742 /nfs/dbraw/zinc/82/17/42/389821742.db2.gz SXQUUMAZCQVRDJ-JHJVBQTASA-N 2 2 269.389 0.354 20 0 CCADLP C[C@H](CNC(=O)[C@H]1COCC[NH2+]1)[N@H+]1CCCC[C@H]1C ZINC000430744660 389821746 /nfs/dbraw/zinc/82/17/46/389821746.db2.gz SXQUUMAZCQVRDJ-JHJVBQTASA-N 2 2 269.389 0.354 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000417499579 389821922 /nfs/dbraw/zinc/82/19/22/389821922.db2.gz FKZAUVBJNQPEAF-MGPQQGTHSA-N 2 2 298.431 0.524 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000417499579 389821925 /nfs/dbraw/zinc/82/19/25/389821925.db2.gz FKZAUVBJNQPEAF-MGPQQGTHSA-N 2 2 298.431 0.524 20 0 CCADLP O=C(C[NH2+]C[C@@H]1CCCO1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000430774449 389824537 /nfs/dbraw/zinc/82/45/37/389824537.db2.gz CBBKNAQZLDCPCY-ZDUSSCGKSA-N 2 2 292.383 0.884 20 0 CCADLP O=C(C[NH2+]C[C@@H]1CCCO1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000430774449 389824538 /nfs/dbraw/zinc/82/45/38/389824538.db2.gz CBBKNAQZLDCPCY-ZDUSSCGKSA-N 2 2 292.383 0.884 20 0 CCADLP C[C@@H]([NH3+])C1CCN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000417528819 389826918 /nfs/dbraw/zinc/82/69/18/389826918.db2.gz QBHKNLZEMAEXBD-CHWSQXEVSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H]([NH3+])C1CCN(C(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC000417528819 389826919 /nfs/dbraw/zinc/82/69/19/389826919.db2.gz QBHKNLZEMAEXBD-CHWSQXEVSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H](NC(=O)N1CCC[C@@H]([NH3+])C1)[C@H](C)[NH+]1CCOCC1 ZINC000417531569 389828175 /nfs/dbraw/zinc/82/81/75/389828175.db2.gz ZDGXOTJIFDJTNE-FRRDWIJNSA-N 2 2 284.404 0.228 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000430881092 389831728 /nfs/dbraw/zinc/83/17/28/389831728.db2.gz YCRJLWZNFRXMTE-ZFWWWQNUSA-N 2 2 291.395 0.393 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000430881092 389831730 /nfs/dbraw/zinc/83/17/30/389831730.db2.gz YCRJLWZNFRXMTE-ZFWWWQNUSA-N 2 2 291.395 0.393 20 0 CCADLP C[C@H](CC(=O)NCC[N@@H+]1CCOC[C@H]1C)C1CC[NH2+]CC1 ZINC000430892501 389832516 /nfs/dbraw/zinc/83/25/16/389832516.db2.gz FRDYVVJUOQAPNW-ZIAGYGMSSA-N 2 2 297.443 0.849 20 0 CCADLP C[C@H](CC(=O)NCC[N@H+]1CCOC[C@H]1C)C1CC[NH2+]CC1 ZINC000430892501 389832518 /nfs/dbraw/zinc/83/25/18/389832518.db2.gz FRDYVVJUOQAPNW-ZIAGYGMSSA-N 2 2 297.443 0.849 20 0 CCADLP COCc1ccccc1CNC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430916394 389833854 /nfs/dbraw/zinc/83/38/54/389833854.db2.gz AKHFIDKNJOVVHQ-CYBMUJFWSA-N 2 2 291.395 0.730 20 0 CCADLP COCc1ccccc1CNC(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430916394 389833858 /nfs/dbraw/zinc/83/38/58/389833858.db2.gz AKHFIDKNJOVVHQ-CYBMUJFWSA-N 2 2 291.395 0.730 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+]([C@H]2CCCN(c3ccn(C)n3)C2=O)C1 ZINC000430924192 389834984 /nfs/dbraw/zinc/83/49/84/389834984.db2.gz IBJHUSNWCLLJQY-OLZOCXBDSA-N 2 2 291.399 0.457 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+]([C@H]2CCCN(c3ccn(C)n3)C2=O)C1 ZINC000430924192 389834988 /nfs/dbraw/zinc/83/49/88/389834988.db2.gz IBJHUSNWCLLJQY-OLZOCXBDSA-N 2 2 291.399 0.457 20 0 CCADLP C[NH2+]C1CC[NH+](CCc2nnnn2-c2ccccc2)CC1 ZINC000430929050 389835615 /nfs/dbraw/zinc/83/56/15/389835615.db2.gz NDUVBDIDUGDIKB-UHFFFAOYSA-N 2 2 286.383 0.889 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000430937748 389837853 /nfs/dbraw/zinc/83/78/53/389837853.db2.gz DZTJCXGSIIWXRM-LLVKDONJSA-N 2 2 265.401 0.833 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000430937748 389837856 /nfs/dbraw/zinc/83/78/56/389837856.db2.gz DZTJCXGSIIWXRM-LLVKDONJSA-N 2 2 265.401 0.833 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+](CCCS(=O)(=O)C(C)C)C1 ZINC000430954724 389839995 /nfs/dbraw/zinc/83/99/95/389839995.db2.gz KHSCYCUADNMEHA-GFCCVEGCSA-N 2 2 262.419 0.741 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+](CCCS(=O)(=O)C(C)C)C1 ZINC000430954724 389839998 /nfs/dbraw/zinc/83/99/98/389839998.db2.gz KHSCYCUADNMEHA-GFCCVEGCSA-N 2 2 262.419 0.741 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000353119479 389846309 /nfs/dbraw/zinc/84/63/09/389846309.db2.gz NWOJDEIXDFEFMY-YNEHKIRRSA-N 2 2 272.414 0.590 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000353119479 389846311 /nfs/dbraw/zinc/84/63/11/389846311.db2.gz NWOJDEIXDFEFMY-YNEHKIRRSA-N 2 2 272.414 0.590 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000353119479 389846313 /nfs/dbraw/zinc/84/63/13/389846313.db2.gz NWOJDEIXDFEFMY-YNEHKIRRSA-N 2 2 272.414 0.590 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000353119479 389846316 /nfs/dbraw/zinc/84/63/16/389846316.db2.gz NWOJDEIXDFEFMY-YNEHKIRRSA-N 2 2 272.414 0.590 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(Cc2c[nH+]cn2CC)CC1 ZINC000417805769 389850870 /nfs/dbraw/zinc/85/08/70/389850870.db2.gz FBDAIXGXNZVGOG-ZDUSSCGKSA-N 2 2 266.389 0.792 20 0 CCADLP C[C@H]([NH3+])[C@H](C)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000417885406 389861308 /nfs/dbraw/zinc/86/13/08/389861308.db2.gz IWYIQKJDDOQYMG-UWVGGRQHSA-N 2 2 261.329 0.869 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]C(C)(C)C ZINC000431770877 389866172 /nfs/dbraw/zinc/86/61/72/389866172.db2.gz UJCKJYSOZBYRRZ-UHFFFAOYSA-N 2 2 252.362 0.857 20 0 CCADLP CNC(=O)CCCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000444114211 389890381 /nfs/dbraw/zinc/89/03/81/389890381.db2.gz WDKHIBOBDNZMCN-UHFFFAOYSA-N 2 2 298.431 0.045 20 0 CCADLP [NH3+]Cc1cc(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)co1 ZINC000444269449 389898807 /nfs/dbraw/zinc/89/88/07/389898807.db2.gz OKOQIEYXAQJEHX-UHFFFAOYSA-N 2 2 289.339 0.419 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000433158728 389902472 /nfs/dbraw/zinc/90/24/72/389902472.db2.gz QBBKSUBEJMNXMM-RYUDHWBXSA-N 2 2 257.378 0.054 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000420261046 389974950 /nfs/dbraw/zinc/97/49/50/389974950.db2.gz KCTIVVHKPWAJAW-NXEZZACHSA-N 2 2 251.334 0.461 20 0 CCADLP CC[N@H+](CC(=O)Nc1cc(C)on1)[C@@H]1CCC[NH2+]CC1 ZINC000435613418 389959370 /nfs/dbraw/zinc/95/93/70/389959370.db2.gz JSMIBSPQNQKIMY-GFCCVEGCSA-N 2 2 280.372 0.807 20 0 CCADLP CC[N@@H+](CC(=O)Nc1cc(C)on1)[C@@H]1CCC[NH2+]CC1 ZINC000435613418 389959371 /nfs/dbraw/zinc/95/93/71/389959371.db2.gz JSMIBSPQNQKIMY-GFCCVEGCSA-N 2 2 280.372 0.807 20 0 CCADLP C[NH2+]C[C@H](C)CNc1cc(N2CC[C@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000420185035 389963294 /nfs/dbraw/zinc/96/32/94/389963294.db2.gz BEMMRSAMZLMELJ-XQQFMLRXSA-N 2 2 293.415 0.951 20 0 CCADLP C[NH2+]C[C@H](C)CNc1cc(N2CC[C@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000420185035 389963295 /nfs/dbraw/zinc/96/32/95/389963295.db2.gz BEMMRSAMZLMELJ-XQQFMLRXSA-N 2 2 293.415 0.951 20 0 CCADLP CNc1nc(NC[C@@H](C)C[NH2+]C)[nH+]c2ccccc21 ZINC000420207642 389965715 /nfs/dbraw/zinc/96/57/15/389965715.db2.gz QMCXRPSZTLWWQM-JTQLQIEISA-N 2 2 259.357 0.783 20 0 CCADLP C[C@@H](O)[C@H]1CCN(c2cc(N3CC[NH2+][C@@H](C)C3)nc[nH+]2)C1 ZINC000420240956 389971327 /nfs/dbraw/zinc/97/13/27/389971327.db2.gz SFRGVOPCAODUDB-XQQFMLRXSA-N 2 2 291.399 0.482 20 0 CCADLP O=C(NCCn1cc[nH+]c1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000433413542 389912624 /nfs/dbraw/zinc/91/26/24/389912624.db2.gz LWUJWMFCRSGRGK-LBPRGKRZSA-N 2 2 288.355 0.434 20 0 CCADLP CC[NH+]1CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000434461487 389935441 /nfs/dbraw/zinc/93/54/41/389935441.db2.gz XIAXEBYLOCPBDX-UHFFFAOYSA-N 2 2 296.415 0.198 20 0 CCADLP CCCCNc1cc(N[C@@H](C)[C@@H](C)[NH3+])nc(N)[nH+]1 ZINC000420271828 389976401 /nfs/dbraw/zinc/97/64/01/389976401.db2.gz VVXVSQSQBXHLDW-BDAKNGLRSA-N 2 2 252.366 0.671 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2CCC[C@H](C)[C@@H]2C[NH3+])CCO1 ZINC000420287610 389978444 /nfs/dbraw/zinc/97/84/44/389978444.db2.gz IGHPXVBHJQNYFR-MJBXVCDLSA-N 2 2 255.406 0.766 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2CCC[C@H](C)[C@@H]2C[NH3+])CCO1 ZINC000420287610 389978446 /nfs/dbraw/zinc/97/84/46/389978446.db2.gz IGHPXVBHJQNYFR-MJBXVCDLSA-N 2 2 255.406 0.766 20 0 CCADLP COC[C@@H]1C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCO1 ZINC000420296373 389979593 /nfs/dbraw/zinc/97/95/93/389979593.db2.gz DKSMHCKZCBCWCS-JYJNAYRXSA-N 2 2 294.395 0.265 20 0 CCADLP COC[C@@H]1C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCO1 ZINC000420296373 389979595 /nfs/dbraw/zinc/97/95/95/389979595.db2.gz DKSMHCKZCBCWCS-JYJNAYRXSA-N 2 2 294.395 0.265 20 0 CCADLP COC(=O)c1ccccc1OCC[N@H+](CC[NH3+])CCO ZINC000420315735 389982993 /nfs/dbraw/zinc/98/29/93/389982993.db2.gz XJQKNWGRXGEFPR-UHFFFAOYSA-N 2 2 282.340 0.105 20 0 CCADLP COC(=O)c1ccccc1OCC[N@@H+](CC[NH3+])CCO ZINC000420315735 389982994 /nfs/dbraw/zinc/98/29/94/389982994.db2.gz XJQKNWGRXGEFPR-UHFFFAOYSA-N 2 2 282.340 0.105 20 0 CCADLP C[C@H](C(=O)Nc1cccc(F)c1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420351814 389988842 /nfs/dbraw/zinc/98/88/42/389988842.db2.gz LBDJCRHYQNWHFM-BXKDBHETSA-N 2 2 269.320 0.404 20 0 CCADLP C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420351814 389988844 /nfs/dbraw/zinc/98/88/44/389988844.db2.gz LBDJCRHYQNWHFM-BXKDBHETSA-N 2 2 269.320 0.404 20 0 CCADLP C[N@H+](C[C@H](O)C[NH3+])[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000420354508 389990163 /nfs/dbraw/zinc/99/01/63/389990163.db2.gz OMGVIPZGRWAWDD-BXKDBHETSA-N 2 2 299.321 0.322 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH3+])[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000420354508 389990164 /nfs/dbraw/zinc/99/01/64/389990164.db2.gz OMGVIPZGRWAWDD-BXKDBHETSA-N 2 2 299.321 0.322 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC000420358678 389991251 /nfs/dbraw/zinc/99/12/51/389991251.db2.gz FSVBYMPYMDOJOI-WEDXCCLWSA-N 2 2 267.295 0.641 20 0 CCADLP Cc1cc(NC(=O)C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)n(C)n1 ZINC000420365502 389992537 /nfs/dbraw/zinc/99/25/37/389992537.db2.gz LFDBHBRBCZLFAG-GLXFQSAKSA-N 2 2 279.388 0.643 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C)C[C@@H](C)O1 ZINC000420364940 389992895 /nfs/dbraw/zinc/99/28/95/389992895.db2.gz PORANJIEXHTYCS-UTUOFQBUSA-N 2 2 271.405 0.585 20 0 CCADLP COCCCNC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420373433 389993853 /nfs/dbraw/zinc/99/38/53/389993853.db2.gz RASBXYMEQIWMJG-CYBMUJFWSA-N 2 2 271.405 0.636 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCN2CCC(O)CC2)C1 ZINC000449650472 389994562 /nfs/dbraw/zinc/99/45/62/389994562.db2.gz ZGUFQDXUKHSLIX-GXTWGEPZSA-N 2 2 255.406 0.373 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCN2CCC(O)CC2)C1 ZINC000449650472 389994563 /nfs/dbraw/zinc/99/45/63/389994563.db2.gz ZGUFQDXUKHSLIX-GXTWGEPZSA-N 2 2 255.406 0.373 20 0 CCADLP [NH3+]C[C@@H]([NH2+]CC(=O)Nc1ccncc1)C1CCCCC1 ZINC000420380729 389994877 /nfs/dbraw/zinc/99/48/77/389994877.db2.gz YQDHTTIMVDFWGS-CQSZACIVSA-N 2 2 276.384 0.939 20 0 CCADLP CN(CC[NH3+])CC(=O)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000420384369 389995267 /nfs/dbraw/zinc/99/52/67/389995267.db2.gz RQIQLSJCECNGNF-UHFFFAOYSA-N 2 2 297.428 0.568 20 0 CCADLP C[NH2+]CCC[N@H+](C)[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000420392191 389996307 /nfs/dbraw/zinc/99/63/07/389996307.db2.gz UQVYPKZVNOWWGL-NWDGAFQWSA-N 2 2 257.378 0.211 20 0 CCADLP C[NH2+]CCC[N@@H+](C)[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000420392191 389996308 /nfs/dbraw/zinc/99/63/08/389996308.db2.gz UQVYPKZVNOWWGL-NWDGAFQWSA-N 2 2 257.378 0.211 20 0 CCADLP Cc1ccccc1CNC(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420391623 389996326 /nfs/dbraw/zinc/99/63/26/389996326.db2.gz OSPVSXWSUZNJDT-HNNXBMFYSA-N 2 2 291.395 0.661 20 0 CCADLP Cc1ccccc1CNC(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420391623 389996328 /nfs/dbraw/zinc/99/63/28/389996328.db2.gz OSPVSXWSUZNJDT-HNNXBMFYSA-N 2 2 291.395 0.661 20 0 CCADLP CC(C)[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1COC1 ZINC000451122343 389999831 /nfs/dbraw/zinc/99/98/31/389999831.db2.gz XURJMANWVBMZKE-UHFFFAOYSA-N 2 2 295.427 0.839 20 0 CCADLP CC(C)[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1COC1 ZINC000451122343 389999834 /nfs/dbraw/zinc/99/98/34/389999834.db2.gz XURJMANWVBMZKE-UHFFFAOYSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H](CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C)[NH+](C)C ZINC000455426127 390012575 /nfs/dbraw/zinc/01/25/75/390012575.db2.gz FMJVHKOHHQLIBR-IHRRRGAJSA-N 2 2 298.431 0.441 20 0 CCADLP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000440120494 390032545 /nfs/dbraw/zinc/03/25/45/390032545.db2.gz QTOCKMVTPYNKBD-QWHCGFSZSA-N 2 2 276.384 0.904 20 0 CCADLP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000440120494 390032546 /nfs/dbraw/zinc/03/25/46/390032546.db2.gz QTOCKMVTPYNKBD-QWHCGFSZSA-N 2 2 276.384 0.904 20 0 CCADLP C[N@H+](CCCO)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000440941415 390047104 /nfs/dbraw/zinc/04/71/04/390047104.db2.gz CFNQIWZMTIGLND-UHFFFAOYSA-N 2 2 295.383 0.238 20 0 CCADLP C[N@@H+](CCCO)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000440941415 390047105 /nfs/dbraw/zinc/04/71/05/390047105.db2.gz CFNQIWZMTIGLND-UHFFFAOYSA-N 2 2 295.383 0.238 20 0 CCADLP COCCC[N@H+](CCOC)CCc1c[nH+]cn1C ZINC000459314427 390072346 /nfs/dbraw/zinc/07/23/46/390072346.db2.gz ZKXVRKQDNMUNMV-UHFFFAOYSA-N 2 2 255.362 0.948 20 0 CCADLP COCCC[N@@H+](CCOC)CCc1c[nH+]cn1C ZINC000459314427 390072347 /nfs/dbraw/zinc/07/23/47/390072347.db2.gz ZKXVRKQDNMUNMV-UHFFFAOYSA-N 2 2 255.362 0.948 20 0 CCADLP C[C@H](C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000479471514 390081819 /nfs/dbraw/zinc/08/18/19/390081819.db2.gz FEXZRFCSDYKSTP-ZIAGYGMSSA-N 2 2 297.443 0.896 20 0 CCADLP CC(C)[C@@H]1CN([C@@H](C)C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000487949035 390090626 /nfs/dbraw/zinc/09/06/26/390090626.db2.gz NDFCMANQNWTJPF-GJZGRUSLSA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@@H]1CN([C@@H](C)C[NH+]2CCOCC2)CC[N@H+]1C ZINC000487949035 390090627 /nfs/dbraw/zinc/09/06/27/390090627.db2.gz NDFCMANQNWTJPF-GJZGRUSLSA-N 2 2 269.433 0.979 20 0 CCADLP COCC[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCC[C@@H]1C ZINC000487972461 390090954 /nfs/dbraw/zinc/09/09/54/390090954.db2.gz MNRFFJRUBXURDF-GJZGRUSLSA-N 2 2 297.443 0.897 20 0 CCADLP COCC[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCC[C@@H]1C ZINC000487972461 390090955 /nfs/dbraw/zinc/09/09/55/390090955.db2.gz MNRFFJRUBXURDF-GJZGRUSLSA-N 2 2 297.443 0.897 20 0 CCADLP COCC[NH+]1CCC(Nc2nc(C)[nH+]c(N(C)C)n2)CC1 ZINC000488388765 390093442 /nfs/dbraw/zinc/09/34/42/390093442.db2.gz QUIBMXGKQWBRIS-UHFFFAOYSA-N 2 2 294.403 0.191 20 0 CCADLP COCC[NH+]1CCC(Nc2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC000488388765 390093443 /nfs/dbraw/zinc/09/34/43/390093443.db2.gz QUIBMXGKQWBRIS-UHFFFAOYSA-N 2 2 294.403 0.191 20 0 CCADLP COCC[N@H+](C)CCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC000488419217 390093852 /nfs/dbraw/zinc/09/38/52/390093852.db2.gz OLWOQCQPTDOFNY-UHFFFAOYSA-N 2 2 282.392 0.048 20 0 CCADLP COCC[N@@H+](C)CCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC000488419217 390093853 /nfs/dbraw/zinc/09/38/53/390093853.db2.gz OLWOQCQPTDOFNY-UHFFFAOYSA-N 2 2 282.392 0.048 20 0 CCADLP COCC[N@H+](C)CCCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000488419217 390093854 /nfs/dbraw/zinc/09/38/54/390093854.db2.gz OLWOQCQPTDOFNY-UHFFFAOYSA-N 2 2 282.392 0.048 20 0 CCADLP COCC[N@@H+](C)CCCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000488419217 390093855 /nfs/dbraw/zinc/09/38/55/390093855.db2.gz OLWOQCQPTDOFNY-UHFFFAOYSA-N 2 2 282.392 0.048 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000493142577 390119432 /nfs/dbraw/zinc/11/94/32/390119432.db2.gz XDQTZMMNAIPIDP-ITKZLYELSA-N 2 2 277.372 0.018 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCC[N@@H+]1C ZINC000488534937 390094636 /nfs/dbraw/zinc/09/46/36/390094636.db2.gz KMWHLLSCYXYOHH-JHJVBQTASA-N 2 2 291.399 0.980 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCC[N@H+]1C ZINC000488534937 390094637 /nfs/dbraw/zinc/09/46/37/390094637.db2.gz KMWHLLSCYXYOHH-JHJVBQTASA-N 2 2 291.399 0.980 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493145267 390119561 /nfs/dbraw/zinc/11/95/61/390119561.db2.gz FUHZLWPYTHTUFA-PCAWENJQSA-N 2 2 278.356 0.602 20 0 CCADLP CC(C)(C[NH+]1CCOCC1)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493164872 390120023 /nfs/dbraw/zinc/12/00/23/390120023.db2.gz WJTNBQCHFUWGGP-ONEGZZNKSA-N 2 2 278.356 0.650 20 0 CCADLP CN(C)c1ccc(CNC(=O)/C=C\C[NH+](C)C)c[nH+]1 ZINC000491686680 390115946 /nfs/dbraw/zinc/11/59/46/390115946.db2.gz SAFMGCSPGJAVBH-WAYWQWQTSA-N 2 2 262.357 0.882 20 0 CCADLP C[NH+](C)CC(C)(C)NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000458789801 390063423 /nfs/dbraw/zinc/06/34/23/390063423.db2.gz NLEGHGUGKUZSDB-JTQLQIEISA-N 2 2 279.388 0.906 20 0 CCADLP C[NH+](C)CC(C)(C)NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000458789801 390063424 /nfs/dbraw/zinc/06/34/24/390063424.db2.gz NLEGHGUGKUZSDB-JTQLQIEISA-N 2 2 279.388 0.906 20 0 CCADLP CCS(=O)(=O)NCC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814741 390179248 /nfs/dbraw/zinc/17/92/48/390179248.db2.gz CNMXJMBCCARBKO-UHFFFAOYSA-N 2 2 275.418 0.142 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814741 390179252 /nfs/dbraw/zinc/17/92/52/390179252.db2.gz CNMXJMBCCARBKO-UHFFFAOYSA-N 2 2 275.418 0.142 20 0 CCADLP CN(C)C(=O)C[NH+]1CCC([NH2+]Cc2cncc(F)c2)CC1 ZINC000494576210 390183311 /nfs/dbraw/zinc/18/33/11/390183311.db2.gz GTPCKYPWQNYSHE-UHFFFAOYSA-N 2 2 294.374 0.863 20 0 CCADLP C[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)C[C@H]1[NH+]1CCOCC1 ZINC000493235204 390121492 /nfs/dbraw/zinc/12/14/92/390121492.db2.gz FLVKJEIZPOLAHJ-XCUNLHGCSA-N 2 2 290.367 0.602 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000493253945 390121685 /nfs/dbraw/zinc/12/16/85/390121685.db2.gz LNMHZFBYJPCTJE-FGTRRKKMSA-N 2 2 274.368 0.984 20 0 CCADLP O=C(/C=C/c1[nH]cc[nH+]1)NC[C@H]1CCC[N@H+]1CCCO ZINC000493268202 390122035 /nfs/dbraw/zinc/12/20/35/390122035.db2.gz OWYUSCVWJUGDRZ-ZYOFXKKJSA-N 2 2 278.356 0.386 20 0 CCADLP O=C(/C=C/c1[nH]cc[nH+]1)NC[C@H]1CCC[N@@H+]1CCCO ZINC000493268202 390122036 /nfs/dbraw/zinc/12/20/36/390122036.db2.gz OWYUSCVWJUGDRZ-ZYOFXKKJSA-N 2 2 278.356 0.386 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCc1cn2ccccc2[nH+]1 ZINC000579217340 390152289 /nfs/dbraw/zinc/15/22/89/390152289.db2.gz JCNVGFSYQSPJFH-UHFFFAOYSA-N 2 2 269.308 0.890 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)c1ccsc1 ZINC000579254199 390157372 /nfs/dbraw/zinc/15/73/72/390157372.db2.gz ALNYMFKSBZQRMC-RYUDHWBXSA-N 2 2 258.387 0.684 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)c1ccsc1 ZINC000579254199 390157375 /nfs/dbraw/zinc/15/73/75/390157375.db2.gz ALNYMFKSBZQRMC-RYUDHWBXSA-N 2 2 258.387 0.684 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)Cc1c[nH+]cn1C ZINC000579273214 390159231 /nfs/dbraw/zinc/15/92/31/390159231.db2.gz JIOGTTWDUVLHLV-NSHDSACASA-N 2 2 250.346 0.515 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)Cc1c[nH+]cn1C ZINC000579273214 390159234 /nfs/dbraw/zinc/15/92/34/390159234.db2.gz JIOGTTWDUVLHLV-NSHDSACASA-N 2 2 250.346 0.515 20 0 CCADLP C[C@@H](CC(=O)N1CC[NH+](CC(C)(C)O)CC1)n1cc[nH+]c1 ZINC000579362865 390166897 /nfs/dbraw/zinc/16/68/97/390166897.db2.gz VIYWRBWPTWPQLV-ZDUSSCGKSA-N 2 2 294.399 0.749 20 0 CCADLP CC[N@H+]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000579374322 390168744 /nfs/dbraw/zinc/16/87/44/390168744.db2.gz IQRIWCVJPFEIRA-TXEJJXNPSA-N 2 2 250.346 0.824 20 0 CCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000579374322 390168746 /nfs/dbraw/zinc/16/87/46/390168746.db2.gz IQRIWCVJPFEIRA-TXEJJXNPSA-N 2 2 250.346 0.824 20 0 CCADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(C(=O)N(C)C)cc1 ZINC000495055234 390214437 /nfs/dbraw/zinc/21/44/37/390214437.db2.gz ZTSQWISPBUQCSL-WFASDCNBSA-N 2 2 293.411 0.962 20 0 CCADLP COC(=O)C[C@H]([NH3+])C(=O)NCc1[nH+]ccn1CC(C)C ZINC000580070775 390217278 /nfs/dbraw/zinc/21/72/78/390217278.db2.gz YJAXVLHGCVTCOT-JTQLQIEISA-N 2 2 282.344 0.046 20 0 CCADLP COCCCNC(=O)[C@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC000647925777 390219498 /nfs/dbraw/zinc/21/94/98/390219498.db2.gz XAAHARXTXVWVPI-NSHDSACASA-N 2 2 257.378 0.341 20 0 CCADLP CC[C@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)CC[C@@H]1[NH3+] ZINC000647934551 390222187 /nfs/dbraw/zinc/22/21/87/390222187.db2.gz IUNRVAFOEZIUCR-RYUDHWBXSA-N 2 2 274.430 0.870 20 0 CCADLP CC[C@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)CC[C@@H]1[NH3+] ZINC000647934551 390222191 /nfs/dbraw/zinc/22/21/91/390222191.db2.gz IUNRVAFOEZIUCR-RYUDHWBXSA-N 2 2 274.430 0.870 20 0 CCADLP CC[C@@H]1C[N@H+](C[C@H](C)CS(C)(=O)=O)CC[C@@H]1[NH3+] ZINC000647936658 390222825 /nfs/dbraw/zinc/22/28/25/390222825.db2.gz JIINCDUDFPGAMW-TUAOUCFPSA-N 2 2 262.419 0.726 20 0 CCADLP CC[C@@H]1C[N@@H+](C[C@H](C)CS(C)(=O)=O)CC[C@@H]1[NH3+] ZINC000647936658 390222828 /nfs/dbraw/zinc/22/28/28/390222828.db2.gz JIINCDUDFPGAMW-TUAOUCFPSA-N 2 2 262.419 0.726 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)NCC2CCC2)CC[C@H]1[NH3+] ZINC000647937255 390223164 /nfs/dbraw/zinc/22/31/64/390223164.db2.gz UOUQTOWAHJCFIW-CHWSQXEVSA-N 2 2 253.390 0.962 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)CC[C@H]1[NH3+] ZINC000647937255 390223165 /nfs/dbraw/zinc/22/31/65/390223165.db2.gz UOUQTOWAHJCFIW-CHWSQXEVSA-N 2 2 253.390 0.962 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCn3c[nH+]cc3C2)CC1 ZINC000647938241 390223347 /nfs/dbraw/zinc/22/33/47/390223347.db2.gz WPPAGOUNIRPZRG-CYBMUJFWSA-N 2 2 291.399 0.251 20 0 CCADLP CC[N@@H+]1CC[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC000579630202 390194271 /nfs/dbraw/zinc/19/42/71/390194271.db2.gz GGOZMIHMFUCEJT-QWHCGFSZSA-N 2 2 278.356 0.205 20 0 CCADLP CC[N@H+]1CC[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC000579630202 390194272 /nfs/dbraw/zinc/19/42/72/390194272.db2.gz GGOZMIHMFUCEJT-QWHCGFSZSA-N 2 2 278.356 0.205 20 0 CCADLP Cn1nnc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647977913 390237018 /nfs/dbraw/zinc/23/70/18/390237018.db2.gz JSTIFGVJZPWUJO-NWDGAFQWSA-N 2 2 264.377 0.422 20 0 CCADLP Cn1nnc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647977913 390237020 /nfs/dbraw/zinc/23/70/20/390237020.db2.gz JSTIFGVJZPWUJO-NWDGAFQWSA-N 2 2 264.377 0.422 20 0 CCADLP Cn1nnc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647977912 390237152 /nfs/dbraw/zinc/23/71/52/390237152.db2.gz JSTIFGVJZPWUJO-NEPJUHHUSA-N 2 2 264.377 0.422 20 0 CCADLP Cn1nnc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647977912 390237154 /nfs/dbraw/zinc/23/71/54/390237154.db2.gz JSTIFGVJZPWUJO-NEPJUHHUSA-N 2 2 264.377 0.422 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CCS(=O)(=O)NC(C)C)n1C ZINC000583575925 390295792 /nfs/dbraw/zinc/29/57/92/390295792.db2.gz WOLXOSCFZCFDKL-UHFFFAOYSA-N 2 2 274.390 0.146 20 0 CCADLP Cn1cc([C@@H]2C[N@H+](CCCC3CC[NH2+]CC3)C[C@H]2[NH3+])cn1 ZINC000647995285 390243780 /nfs/dbraw/zinc/24/37/80/390243780.db2.gz MBDGBBUBHFQQDD-JKSUJKDBSA-N 3 2 291.443 0.926 20 0 CCADLP Cn1cc([C@@H]2C[N@@H+](CCCC3CC[NH2+]CC3)C[C@H]2[NH3+])cn1 ZINC000647995285 390243784 /nfs/dbraw/zinc/24/37/84/390243784.db2.gz MBDGBBUBHFQQDD-JKSUJKDBSA-N 3 2 291.443 0.926 20 0 CCADLP CC(C)c1cc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)on1 ZINC000644568191 390255287 /nfs/dbraw/zinc/25/52/87/390255287.db2.gz XKGCTZGGAIIEAW-ZDUSSCGKSA-N 2 2 296.415 0.496 20 0 CCADLP CC[C@@H](O)C[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000644618790 390267907 /nfs/dbraw/zinc/26/79/07/390267907.db2.gz OQNRMYWAYMHGKE-VXGBXAGGSA-N 2 2 280.372 0.272 20 0 CCADLP COc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1O ZINC000582192840 390269117 /nfs/dbraw/zinc/26/91/17/390269117.db2.gz VSLJTUSLGXOKHD-NWDGAFQWSA-N 2 2 291.351 0.145 20 0 CCADLP COc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1O ZINC000582192840 390269119 /nfs/dbraw/zinc/26/91/19/390269119.db2.gz VSLJTUSLGXOKHD-NWDGAFQWSA-N 2 2 291.351 0.145 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc(CC(N)=O)cc1)C1CC1 ZINC000644649130 390275655 /nfs/dbraw/zinc/27/56/55/390275655.db2.gz DMTNOPTVIXPJBY-OAHLLOKOSA-N 2 2 291.395 0.259 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc(CC(N)=O)cc1)C1CC1 ZINC000644649130 390275657 /nfs/dbraw/zinc/27/56/57/390275657.db2.gz DMTNOPTVIXPJBY-OAHLLOKOSA-N 2 2 291.395 0.259 20 0 CCADLP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CC[NH2+]1 ZINC000583324893 390283706 /nfs/dbraw/zinc/28/37/06/390283706.db2.gz PKLBBSQCYDWBHV-OAHLLOKOSA-N 2 2 288.395 0.287 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CN2CCOC2=O)C1 ZINC000496126367 390304889 /nfs/dbraw/zinc/30/48/89/390304889.db2.gz SSQNFQRKEWFPGY-CHWSQXEVSA-N 2 2 285.388 0.073 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CN2CCOC2=O)C1 ZINC000496126367 390304893 /nfs/dbraw/zinc/30/48/93/390304893.db2.gz SSQNFQRKEWFPGY-CHWSQXEVSA-N 2 2 285.388 0.073 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](CN2CCOC2=O)C1 ZINC000496126367 390304897 /nfs/dbraw/zinc/30/48/97/390304897.db2.gz SSQNFQRKEWFPGY-CHWSQXEVSA-N 2 2 285.388 0.073 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](CN2CCOC2=O)C1 ZINC000496126367 390304900 /nfs/dbraw/zinc/30/49/00/390304900.db2.gz SSQNFQRKEWFPGY-CHWSQXEVSA-N 2 2 285.388 0.073 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000583866774 390317638 /nfs/dbraw/zinc/31/76/38/390317638.db2.gz GWOLIWOUQFRIOL-INIZCTEOSA-N 3 2 281.444 0.906 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000583866774 390317639 /nfs/dbraw/zinc/31/76/39/390317639.db2.gz GWOLIWOUQFRIOL-INIZCTEOSA-N 3 2 281.444 0.906 20 0 CCADLP CC1(OCC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C[NH2+]C1 ZINC000648158519 390319163 /nfs/dbraw/zinc/31/91/63/390319163.db2.gz ACCSCULPLNECOQ-LBPRGKRZSA-N 2 2 290.367 0.155 20 0 CCADLP C[N@@H+]1C[C@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC000644813862 390321198 /nfs/dbraw/zinc/32/11/98/390321198.db2.gz DIJLDLZNTVQLLR-CHWSQXEVSA-N 2 2 262.357 0.826 20 0 CCADLP C[N@H+]1C[C@H]2CCN(C(=O)CCCn3cc[nH+]c3)[C@@H]2C1 ZINC000644813862 390321201 /nfs/dbraw/zinc/32/12/01/390321201.db2.gz DIJLDLZNTVQLLR-CHWSQXEVSA-N 2 2 262.357 0.826 20 0 CCADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000648166943 390322759 /nfs/dbraw/zinc/32/27/59/390322759.db2.gz GYJSWMAELFUSSF-UONOGXRCSA-N 2 2 281.400 0.308 20 0 CCADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000648166943 390322761 /nfs/dbraw/zinc/32/27/61/390322761.db2.gz GYJSWMAELFUSSF-UONOGXRCSA-N 2 2 281.400 0.308 20 0 CCADLP c1nnn(Cc2ccccc2)c1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000644833407 390329940 /nfs/dbraw/zinc/32/99/40/390329940.db2.gz JPVQCZKTEYRIOO-HUUCEWRRSA-N 2 2 283.379 0.978 20 0 CCADLP CCc1ncc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)s1 ZINC000584005399 390334225 /nfs/dbraw/zinc/33/42/25/390334225.db2.gz SHDKSBWWITYSIK-ONGXEEELSA-N 2 2 280.397 0.449 20 0 CCADLP CCc1ncc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)s1 ZINC000584005399 390334229 /nfs/dbraw/zinc/33/42/29/390334229.db2.gz SHDKSBWWITYSIK-ONGXEEELSA-N 2 2 280.397 0.449 20 0 CCADLP Cc1[nH]c2nc[nH+]c(N3CC[NH+](CCO)CC3)c2c1C ZINC000645095118 390369880 /nfs/dbraw/zinc/36/98/80/390369880.db2.gz GWCJJFIPWDPVFA-UHFFFAOYSA-N 2 2 275.356 0.689 20 0 CCADLP [NH3+]Cc1nc(-c2ccc(NC(=O)C3([NH3+])CCC3)cc2)n[nH]1 ZINC000584408275 390341373 /nfs/dbraw/zinc/34/13/73/390341373.db2.gz ARSZTDZYJCHFPR-UHFFFAOYSA-N 2 2 286.339 0.750 20 0 CCADLP CO[C@H](C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)C1CC1 ZINC000644927963 390347116 /nfs/dbraw/zinc/34/71/16/390347116.db2.gz UEVKFLFWELUEJP-LSDHHAIUSA-N 2 2 295.427 0.826 20 0 CCADLP CO[C@H](C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1)C1CC1 ZINC000644927963 390347121 /nfs/dbraw/zinc/34/71/21/390347121.db2.gz UEVKFLFWELUEJP-LSDHHAIUSA-N 2 2 295.427 0.826 20 0 CCADLP CO[C@@H](C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)C1CC1 ZINC000644927961 390347592 /nfs/dbraw/zinc/34/75/92/390347592.db2.gz UEVKFLFWELUEJP-GJZGRUSLSA-N 2 2 295.427 0.826 20 0 CCADLP CO[C@@H](C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1)C1CC1 ZINC000644927961 390347597 /nfs/dbraw/zinc/34/75/97/390347597.db2.gz UEVKFLFWELUEJP-GJZGRUSLSA-N 2 2 295.427 0.826 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000648771035 390405366 /nfs/dbraw/zinc/40/53/66/390405366.db2.gz ADENNFQSHAHPST-XJFOESAGSA-N 2 2 283.416 0.552 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000648771035 390405370 /nfs/dbraw/zinc/40/53/70/390405370.db2.gz ADENNFQSHAHPST-XJFOESAGSA-N 2 2 283.416 0.552 20 0 CCADLP CN(CC[NH+]1CCOCC1)c1nc(N)[nH+]c2c1CCCC2 ZINC000645154066 390378456 /nfs/dbraw/zinc/37/84/56/390378456.db2.gz UYIAJYHULADRCK-UHFFFAOYSA-N 2 2 291.399 0.536 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000547539671 390382250 /nfs/dbraw/zinc/38/22/50/390382250.db2.gz JSMLZLWQNFWUQJ-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP C[C@@H]1CCCC[N@@H+]1CCNC(=O)Cc1c[nH+]cn1C ZINC000547539697 390382459 /nfs/dbraw/zinc/38/24/59/390382459.db2.gz PAMRTWNKDIWPFR-GFCCVEGCSA-N 2 2 264.373 0.953 20 0 CCADLP C[C@@H]1CCCC[N@H+]1CCNC(=O)Cc1c[nH+]cn1C ZINC000547539697 390382460 /nfs/dbraw/zinc/38/24/60/390382460.db2.gz PAMRTWNKDIWPFR-GFCCVEGCSA-N 2 2 264.373 0.953 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)OC[C@@H]2CCCO2)CC1 ZINC000496941353 390389522 /nfs/dbraw/zinc/38/95/22/390389522.db2.gz GMIRLVJAMBYEQP-AWEZNQCLSA-N 2 2 299.415 0.918 20 0 CCADLP COc1cccc(F)c1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000565410872 390510547 /nfs/dbraw/zinc/51/05/47/390510547.db2.gz ZEZKTVZINKEFOI-JTQLQIEISA-N 2 2 296.346 0.941 20 0 CCADLP COc1cccc(F)c1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000565410872 390510551 /nfs/dbraw/zinc/51/05/51/390510551.db2.gz ZEZKTVZINKEFOI-JTQLQIEISA-N 2 2 296.346 0.941 20 0 CCADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000565421040 390512844 /nfs/dbraw/zinc/51/28/44/390512844.db2.gz SUXMXJDEVOLBFU-VXGBXAGGSA-N 2 2 286.420 0.522 20 0 CCADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000565421040 390512848 /nfs/dbraw/zinc/51/28/48/390512848.db2.gz SUXMXJDEVOLBFU-VXGBXAGGSA-N 2 2 286.420 0.522 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC(=O)NC1CCCC1 ZINC000643469747 390450625 /nfs/dbraw/zinc/45/06/25/390450625.db2.gz JNHZDJZKLHYSPI-AAEUAGOBSA-N 2 2 269.389 0.402 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000643472308 390451895 /nfs/dbraw/zinc/45/18/95/390451895.db2.gz VEZDMYUCMYBMBE-GJZGRUSLSA-N 3 2 288.395 0.495 20 0 CCADLP Cc1ccn2cc(CNC(=O)COCC[NH3+])[nH+]c2c1 ZINC000645677149 390471374 /nfs/dbraw/zinc/47/13/74/390471374.db2.gz CSJJIHJFQSBUMX-UHFFFAOYSA-N 2 2 262.313 0.234 20 0 CCADLP O=C1C[C@H]([N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C(=O)N1 ZINC000520604865 390584930 /nfs/dbraw/zinc/58/49/30/390584930.db2.gz ZZSKJOOWSIMXLH-UHTWSYAYSA-N 2 2 277.368 0.350 20 0 CCADLP O=C1C[C@H]([N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C(=O)N1 ZINC000520604865 390584932 /nfs/dbraw/zinc/58/49/32/390584932.db2.gz ZZSKJOOWSIMXLH-UHTWSYAYSA-N 2 2 277.368 0.350 20 0 CCADLP O=C1C[C@H]([NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C(=O)N1 ZINC000520604865 390584934 /nfs/dbraw/zinc/58/49/34/390584934.db2.gz ZZSKJOOWSIMXLH-UHTWSYAYSA-N 2 2 277.368 0.350 20 0 CCADLP O=C1C[C@H]([NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C(=O)N1 ZINC000520604865 390584937 /nfs/dbraw/zinc/58/49/37/390584937.db2.gz ZZSKJOOWSIMXLH-UHTWSYAYSA-N 2 2 277.368 0.350 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCc2cccnc2)C[C@@H](C)O1 ZINC000519639313 390521029 /nfs/dbraw/zinc/52/10/29/390521029.db2.gz NAEWAIWSQPMNTO-IIAWOOMASA-N 2 2 293.411 0.684 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1C[N@H+](C)CCO1 ZINC000649214242 390524986 /nfs/dbraw/zinc/52/49/86/390524986.db2.gz RCSGEEBIZCBJRA-SCRDCRAPSA-N 2 2 292.383 0.281 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000649214242 390524991 /nfs/dbraw/zinc/52/49/91/390524991.db2.gz RCSGEEBIZCBJRA-SCRDCRAPSA-N 2 2 292.383 0.281 20 0 CCADLP C[N@@H+]1CCN(Cc2cnn(CC(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000565598529 390528511 /nfs/dbraw/zinc/52/85/11/390528511.db2.gz SBJZPYWBTQSSOW-NSHDSACASA-N 2 2 291.321 0.520 20 0 CCADLP C[N@H+]1CCN(Cc2cnn(CC(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000565598529 390528513 /nfs/dbraw/zinc/52/85/13/390528513.db2.gz SBJZPYWBTQSSOW-NSHDSACASA-N 2 2 291.321 0.520 20 0 CCADLP O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@H]1CCC[NH2+]1 ZINC000649333516 390590248 /nfs/dbraw/zinc/59/02/48/390590248.db2.gz ZCZIFXHJENRRRV-MJBXVCDLSA-N 2 2 281.400 0.498 20 0 CCADLP CC1(C)C[NH2+][C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000649333403 390590255 /nfs/dbraw/zinc/59/02/55/390590255.db2.gz RKAVWADLJQUCCX-HZSPNIEDSA-N 2 2 295.427 0.744 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]([NH3+])C3CCC3)C2)CC1 ZINC000645977972 390555746 /nfs/dbraw/zinc/55/57/46/390555746.db2.gz PHNGKCDHFKOLPV-HIFRSBDPSA-N 3 2 294.443 0.399 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]([NH3+])C3CCC3)C2)CC1 ZINC000645977972 390555747 /nfs/dbraw/zinc/55/57/47/390555747.db2.gz PHNGKCDHFKOLPV-HIFRSBDPSA-N 3 2 294.443 0.399 20 0 CCADLP O=C(NCCCNc1cccc[nH+]1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649298144 390558395 /nfs/dbraw/zinc/55/83/95/390558395.db2.gz VAHVEDFDHFCSQP-PJXYFTJBSA-N 2 2 260.341 0.465 20 0 CCADLP O=C(NCCNc1ccc2ccccc2[nH+]1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649306893 390566877 /nfs/dbraw/zinc/56/68/77/390566877.db2.gz XMAGJHYVFWAGIH-VIKVFOODSA-N 2 2 296.374 0.650 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[NH2+]CCC2(F)F)CCO1 ZINC000649312383 390571111 /nfs/dbraw/zinc/57/11/11/390571111.db2.gz LEUUTBCDZWOPIF-MNOVXSKESA-N 2 2 291.342 0.068 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[NH2+]CCC2(F)F)CCO1 ZINC000649312383 390571114 /nfs/dbraw/zinc/57/11/14/390571114.db2.gz LEUUTBCDZWOPIF-MNOVXSKESA-N 2 2 291.342 0.068 20 0 CCADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]CCC(=O)NC(N)=O ZINC000520396803 390571411 /nfs/dbraw/zinc/57/14/11/390571411.db2.gz MPFRKERGZCNHDD-JTQLQIEISA-N 2 2 258.366 0.137 20 0 CCADLP [NH3+]Cc1ccc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)o1 ZINC000646171644 390623789 /nfs/dbraw/zinc/62/37/89/390623789.db2.gz YDCGWLXRJKFBGR-GFCCVEGCSA-N 2 2 293.367 0.533 20 0 CCADLP Cc1cccc2[nH+]c(CCNC(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cn21 ZINC000646206659 390632797 /nfs/dbraw/zinc/63/27/97/390632797.db2.gz CYHORHGNFXLBGD-NHAGDIPZSA-N 2 2 299.378 0.702 20 0 CCADLP C[C@H](C(=O)NCCCCn1cc[nH+]c1)N1CC[NH+](C)CC1 ZINC000523663001 390639453 /nfs/dbraw/zinc/63/94/53/390639453.db2.gz PPDRTZIIUSPLRN-CQSZACIVSA-N 2 2 293.415 0.415 20 0 CCADLP [NH3+]CC(F)(F)CC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000566408085 390597771 /nfs/dbraw/zinc/59/77/71/390597771.db2.gz ZKOFYMLELRYGQO-UHFFFAOYSA-N 2 2 298.337 0.710 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)NCC1=CC[NH2+]CC1 ZINC000521216383 390599228 /nfs/dbraw/zinc/59/92/28/390599228.db2.gz IAAAFOVPDAKJGQ-UHFFFAOYSA-N 2 2 296.415 0.316 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)NCC1=CC[NH2+]CC1 ZINC000521216383 390599234 /nfs/dbraw/zinc/59/92/34/390599234.db2.gz IAAAFOVPDAKJGQ-UHFFFAOYSA-N 2 2 296.415 0.316 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](CO)C[C@@H]1C ZINC000566424652 390601691 /nfs/dbraw/zinc/60/16/91/390601691.db2.gz MQNBTFGMJPMCMY-IHRRRGAJSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](CO)C[C@@H]1C ZINC000566424652 390601695 /nfs/dbraw/zinc/60/16/95/390601695.db2.gz MQNBTFGMJPMCMY-IHRRRGAJSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](CO)C[C@@H]1C ZINC000566424652 390601699 /nfs/dbraw/zinc/60/16/99/390601699.db2.gz MQNBTFGMJPMCMY-IHRRRGAJSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](CO)C[C@@H]1C ZINC000566424652 390601702 /nfs/dbraw/zinc/60/17/02/390601702.db2.gz MQNBTFGMJPMCMY-IHRRRGAJSA-N 2 2 274.405 0.018 20 0 CCADLP C[C@@H](C[NH+]1CCN(c2cc[nH+]cc2)CC1)S(C)(=O)=O ZINC000649351929 390603499 /nfs/dbraw/zinc/60/34/99/390603499.db2.gz SPNSEQYEPHYFGW-LBPRGKRZSA-N 2 2 283.397 0.637 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](OC)[C@@H](C)C1 ZINC000566429222 390603491 /nfs/dbraw/zinc/60/34/91/390603491.db2.gz PNSGJNDGGNCUBW-IHRRRGAJSA-N 2 2 274.405 0.282 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](OC)[C@@H](C)C1 ZINC000566429222 390603495 /nfs/dbraw/zinc/60/34/95/390603495.db2.gz PNSGJNDGGNCUBW-IHRRRGAJSA-N 2 2 274.405 0.282 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](OC)[C@@H](C)C1 ZINC000566429222 390603497 /nfs/dbraw/zinc/60/34/97/390603497.db2.gz PNSGJNDGGNCUBW-IHRRRGAJSA-N 2 2 274.405 0.282 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](OC)[C@@H](C)C1 ZINC000566429222 390603498 /nfs/dbraw/zinc/60/34/98/390603498.db2.gz PNSGJNDGGNCUBW-IHRRRGAJSA-N 2 2 274.405 0.282 20 0 CCADLP C[C@H](c1nccc(N)n1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000521455972 390608403 /nfs/dbraw/zinc/60/84/03/390608403.db2.gz YLHBTXZONFDOKY-CYBMUJFWSA-N 2 2 292.431 0.519 20 0 CCADLP C[C@H](c1nccc(N)n1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000521455972 390608407 /nfs/dbraw/zinc/60/84/07/390608407.db2.gz YLHBTXZONFDOKY-CYBMUJFWSA-N 2 2 292.431 0.519 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000566452009 390611105 /nfs/dbraw/zinc/61/11/05/390611105.db2.gz DXXXGAFPIXWPJD-KFWWJZLASA-N 2 2 297.443 0.896 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000566452009 390611109 /nfs/dbraw/zinc/61/11/09/390611109.db2.gz DXXXGAFPIXWPJD-KFWWJZLASA-N 2 2 297.443 0.896 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000566452009 390611113 /nfs/dbraw/zinc/61/11/13/390611113.db2.gz DXXXGAFPIXWPJD-KFWWJZLASA-N 2 2 297.443 0.896 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000566452009 390611116 /nfs/dbraw/zinc/61/11/16/390611116.db2.gz DXXXGAFPIXWPJD-KFWWJZLASA-N 2 2 297.443 0.896 20 0 CCADLP COC[C@@H](C)C[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000643973918 390612392 /nfs/dbraw/zinc/61/23/92/390612392.db2.gz NUVGYKYITLHTEH-WCFLWFBJSA-N 2 2 252.362 0.429 20 0 CCADLP COC[C@@H](C)C[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000643973918 390612396 /nfs/dbraw/zinc/61/23/96/390612396.db2.gz NUVGYKYITLHTEH-WCFLWFBJSA-N 2 2 252.362 0.429 20 0 CCADLP C[C@@H](C(=O)N(C)CC[NH+]1CCOCC1)[NH+]1CC(C)C1 ZINC000521924154 390613782 /nfs/dbraw/zinc/61/37/82/390613782.db2.gz GUBZCJOCABFOIZ-ZDUSSCGKSA-N 2 2 269.389 0.117 20 0 CCADLP Cc1[nH+]cc(CNC2(CCO)CC[NH+](C)CC2)n1C ZINC000567522792 390703146 /nfs/dbraw/zinc/70/31/46/390703146.db2.gz ZRPYSQXCTGIXDJ-UHFFFAOYSA-N 2 2 266.389 0.665 20 0 CCADLP CC[N@@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000567651356 390708410 /nfs/dbraw/zinc/70/84/10/390708410.db2.gz SCUHJKXDOWQFTH-LBPRGKRZSA-N 2 2 250.346 0.731 20 0 CCADLP CC[N@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000567651356 390708414 /nfs/dbraw/zinc/70/84/14/390708414.db2.gz SCUHJKXDOWQFTH-LBPRGKRZSA-N 2 2 250.346 0.731 20 0 CCADLP C[C@H](CN1CCOCC1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000570928965 390724893 /nfs/dbraw/zinc/72/48/93/390724893.db2.gz WTIWMKOETLQKEK-MGPQQGTHSA-N 2 2 253.390 0.248 20 0 CCADLP C[C@H](CN1CCOCC1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000570928965 390724896 /nfs/dbraw/zinc/72/48/96/390724896.db2.gz WTIWMKOETLQKEK-MGPQQGTHSA-N 2 2 253.390 0.248 20 0 CCADLP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000566983983 390664588 /nfs/dbraw/zinc/66/45/88/390664588.db2.gz BBTFMYNBUCYDDF-ONGXEEELSA-N 2 2 251.334 0.549 20 0 CCADLP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000566983983 390664591 /nfs/dbraw/zinc/66/45/91/390664591.db2.gz BBTFMYNBUCYDDF-ONGXEEELSA-N 2 2 251.334 0.549 20 0 CCADLP OCCC[N@@H+]1CCC[C@H]([NH2+]CC2(O)CCCC2)C1 ZINC000567166807 390676842 /nfs/dbraw/zinc/67/68/42/390676842.db2.gz QIBMAGZIADKFTO-ZDUSSCGKSA-N 2 2 256.390 0.728 20 0 CCADLP OCCC[N@H+]1CCC[C@H]([NH2+]CC2(O)CCCC2)C1 ZINC000567166807 390676843 /nfs/dbraw/zinc/67/68/43/390676843.db2.gz QIBMAGZIADKFTO-ZDUSSCGKSA-N 2 2 256.390 0.728 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)c2ccc(C[NH3+])o2)C[C@H](C)O1 ZINC000646457099 390685067 /nfs/dbraw/zinc/68/50/67/390685067.db2.gz CTUXWJYOJCNSOL-TXEJJXNPSA-N 2 2 295.383 0.920 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)c2ccc(C[NH3+])o2)C[C@H](C)O1 ZINC000646457099 390685071 /nfs/dbraw/zinc/68/50/71/390685071.db2.gz CTUXWJYOJCNSOL-TXEJJXNPSA-N 2 2 295.383 0.920 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@H]2[NH2+]CC2(C)C)C[C@H](C)O1 ZINC000646457235 390685127 /nfs/dbraw/zinc/68/51/27/390685127.db2.gz OLHNEYREZQKIMS-XQQFMLRXSA-N 2 2 283.416 0.552 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@H]2[NH2+]CC2(C)C)C[C@H](C)O1 ZINC000646457235 390685130 /nfs/dbraw/zinc/68/51/30/390685130.db2.gz OLHNEYREZQKIMS-XQQFMLRXSA-N 2 2 283.416 0.552 20 0 CCADLP C[C@@H](c1nnnn1C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000567398601 390697436 /nfs/dbraw/zinc/69/74/36/390697436.db2.gz HNYDMGHZIQPTKY-UWVGGRQHSA-N 2 2 261.333 0.494 20 0 CCADLP C[C@@H](c1nnnn1C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000567398601 390697438 /nfs/dbraw/zinc/69/74/38/390697438.db2.gz HNYDMGHZIQPTKY-UWVGGRQHSA-N 2 2 261.333 0.494 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCN(C(=O)C(C)C)CC1 ZINC000567448453 390698853 /nfs/dbraw/zinc/69/88/53/390698853.db2.gz XYMGRADXLAVQBN-CQSZACIVSA-N 2 2 285.432 0.489 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCN(C(=O)C(C)C)CC1 ZINC000567448453 390698854 /nfs/dbraw/zinc/69/88/54/390698854.db2.gz XYMGRADXLAVQBN-CQSZACIVSA-N 2 2 285.432 0.489 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000567448453 390698855 /nfs/dbraw/zinc/69/88/55/390698855.db2.gz XYMGRADXLAVQBN-CQSZACIVSA-N 2 2 285.432 0.489 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000567448453 390698856 /nfs/dbraw/zinc/69/88/56/390698856.db2.gz XYMGRADXLAVQBN-CQSZACIVSA-N 2 2 285.432 0.489 20 0 CCADLP C[NH+]1CCC(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000571845370 390755418 /nfs/dbraw/zinc/75/54/18/390755418.db2.gz FWZOKJGTSROCLU-ZDUSSCGKSA-N 2 2 276.384 0.904 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000572827061 390805437 /nfs/dbraw/zinc/80/54/37/390805437.db2.gz RXLNEASDISWKKV-AWEZNQCLSA-N 2 2 296.459 0.565 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000572827061 390805442 /nfs/dbraw/zinc/80/54/42/390805442.db2.gz RXLNEASDISWKKV-AWEZNQCLSA-N 2 2 296.459 0.565 20 0 CCADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000571976121 390761823 /nfs/dbraw/zinc/76/18/23/390761823.db2.gz CCZBMSGROFXDDN-LBPRGKRZSA-N 2 2 288.351 0.473 20 0 CCADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000571976121 390761825 /nfs/dbraw/zinc/76/18/25/390761825.db2.gz CCZBMSGROFXDDN-LBPRGKRZSA-N 2 2 288.351 0.473 20 0 CCADLP C[C@@]1(F)C[NH2+]CCN(c2nc[nH+]c(N)c2Cl)C1 ZINC000571986388 390762054 /nfs/dbraw/zinc/76/20/54/390762054.db2.gz ADNPYYFQYNZQHU-SNVBAGLBSA-N 2 2 259.716 0.850 20 0 CCADLP C[C@@H](O)CNc1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)nc[nH+]1 ZINC000572006110 390763365 /nfs/dbraw/zinc/76/33/65/390763365.db2.gz DLAQSDWESJTZFS-NEPJUHHUSA-N 2 2 291.399 0.587 20 0 CCADLP C[C@@H](O)CNc1cc(NC[C@@H]2CC[N@H+](C3CC3)C2)nc[nH+]1 ZINC000572006110 390763368 /nfs/dbraw/zinc/76/33/68/390763368.db2.gz DLAQSDWESJTZFS-NEPJUHHUSA-N 2 2 291.399 0.587 20 0 CCADLP C[C@@H](O)CNc1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)[nH+]cn1 ZINC000572006110 390763371 /nfs/dbraw/zinc/76/33/71/390763371.db2.gz DLAQSDWESJTZFS-NEPJUHHUSA-N 2 2 291.399 0.587 20 0 CCADLP C[C@@H](O)CNc1cc(NC[C@@H]2CC[N@H+](C3CC3)C2)[nH+]cn1 ZINC000572006110 390763373 /nfs/dbraw/zinc/76/33/73/390763373.db2.gz DLAQSDWESJTZFS-NEPJUHHUSA-N 2 2 291.399 0.587 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCCCCn1cc[nH+]c1 ZINC000572585447 390790723 /nfs/dbraw/zinc/79/07/23/390790723.db2.gz OGBWMEJGCDUSQS-OLZOCXBDSA-N 2 2 279.388 0.961 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](CCC(N)=O)Cc1ccccc1 ZINC000572852608 390807685 /nfs/dbraw/zinc/80/76/85/390807685.db2.gz HZMFPNJQBQYRQO-HNNXBMFYSA-N 2 2 293.411 0.677 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](CCC(N)=O)Cc1ccccc1 ZINC000572852608 390807688 /nfs/dbraw/zinc/80/76/88/390807688.db2.gz HZMFPNJQBQYRQO-HNNXBMFYSA-N 2 2 293.411 0.677 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](CCC(N)=O)Cc1ccccc1 ZINC000572852608 390807690 /nfs/dbraw/zinc/80/76/90/390807690.db2.gz HZMFPNJQBQYRQO-HNNXBMFYSA-N 2 2 293.411 0.677 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](CCC(N)=O)Cc1ccccc1 ZINC000572852608 390807693 /nfs/dbraw/zinc/80/76/93/390807693.db2.gz HZMFPNJQBQYRQO-HNNXBMFYSA-N 2 2 293.411 0.677 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+](CCC(N)=O)Cc1ccccc1 ZINC000572852609 390807723 /nfs/dbraw/zinc/80/77/23/390807723.db2.gz HZMFPNJQBQYRQO-OAHLLOKOSA-N 2 2 293.411 0.677 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](CCC(N)=O)Cc1ccccc1 ZINC000572852609 390807726 /nfs/dbraw/zinc/80/77/26/390807726.db2.gz HZMFPNJQBQYRQO-OAHLLOKOSA-N 2 2 293.411 0.677 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](CCC(N)=O)Cc1ccccc1 ZINC000572852609 390807729 /nfs/dbraw/zinc/80/77/29/390807729.db2.gz HZMFPNJQBQYRQO-OAHLLOKOSA-N 2 2 293.411 0.677 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](CCC(N)=O)Cc1ccccc1 ZINC000572852609 390807731 /nfs/dbraw/zinc/80/77/31/390807731.db2.gz HZMFPNJQBQYRQO-OAHLLOKOSA-N 2 2 293.411 0.677 20 0 CCADLP COC(=O)[C@](C)(O)C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000331261118 291964823 /nfs/dbraw/zinc/96/48/23/291964823.db2.gz KXMCYKGXNCXPAT-CYBMUJFWSA-N 2 2 258.362 0.373 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000577961589 390856113 /nfs/dbraw/zinc/85/61/13/390856113.db2.gz XIMFAQWOGBRHOZ-ZWNOBZJWSA-N 2 2 268.361 0.017 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000577961589 390856116 /nfs/dbraw/zinc/85/61/16/390856116.db2.gz XIMFAQWOGBRHOZ-ZWNOBZJWSA-N 2 2 268.361 0.017 20 0 CCADLP C[N@H+]1CCN(C(=O)Nc2cccc3c2OCO3)[C@@H](C[NH3+])C1 ZINC000578168790 390868147 /nfs/dbraw/zinc/86/81/47/390868147.db2.gz XPYHIPQCRHXQSJ-JTQLQIEISA-N 2 2 292.339 0.522 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529329316 390809914 /nfs/dbraw/zinc/80/99/14/390809914.db2.gz XUWJIEBGDZTKFT-LLVKDONJSA-N 2 2 277.372 0.987 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000572982927 390816649 /nfs/dbraw/zinc/81/66/49/390816649.db2.gz BRGRRCFSGSKGTH-RYUDHWBXSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000572982927 390816651 /nfs/dbraw/zinc/81/66/51/390816651.db2.gz BRGRRCFSGSKGTH-RYUDHWBXSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000572982927 390816653 /nfs/dbraw/zinc/81/66/53/390816653.db2.gz BRGRRCFSGSKGTH-RYUDHWBXSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000572982927 390816654 /nfs/dbraw/zinc/81/66/54/390816654.db2.gz BRGRRCFSGSKGTH-RYUDHWBXSA-N 2 2 280.372 0.113 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCc1c[nH+]c(C)nc1N ZINC000529365022 390819320 /nfs/dbraw/zinc/81/93/20/390819320.db2.gz IOQXACXSOBZZOR-UHFFFAOYSA-N 2 2 260.301 0.019 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000647460547 390820961 /nfs/dbraw/zinc/82/09/61/390820961.db2.gz PVQAPRPQHHVWNI-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000647460547 390820963 /nfs/dbraw/zinc/82/09/63/390820963.db2.gz PVQAPRPQHHVWNI-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP CC1(C[NH2+]CCCCN2CC[NH+](CCO)CC2)CC1 ZINC000574893015 390822047 /nfs/dbraw/zinc/82/20/47/390822047.db2.gz BIBFBTRLUILRAG-UHFFFAOYSA-N 2 2 269.433 0.766 20 0 CCADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ncccc1F ZINC000529388264 390826913 /nfs/dbraw/zinc/82/69/13/390826913.db2.gz UOSZEKFOQMOWSM-QWRGUYRKSA-N 2 2 295.362 0.566 20 0 CCADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ncccc1F ZINC000529388264 390826916 /nfs/dbraw/zinc/82/69/16/390826916.db2.gz UOSZEKFOQMOWSM-QWRGUYRKSA-N 2 2 295.362 0.566 20 0 CCADLP Nc1ccc(CNc2ccc(N3CCOCC3)c[nH+]2)c[nH+]1 ZINC000647550543 390839894 /nfs/dbraw/zinc/83/98/94/390839894.db2.gz XSCBKYACXOXQBW-UHFFFAOYSA-N 2 2 285.351 0.760 20 0 CCADLP CC(C)OC[C@H](O)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000578640262 390895854 /nfs/dbraw/zinc/89/58/54/390895854.db2.gz REPQFIRXKGNKSB-YUTCNCBUSA-N 2 2 256.390 0.845 20 0 CCADLP CC(C)OC[C@H](O)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000578640262 390895855 /nfs/dbraw/zinc/89/58/55/390895855.db2.gz REPQFIRXKGNKSB-YUTCNCBUSA-N 2 2 256.390 0.845 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)C(C)(C)n1cncn1 ZINC000453297638 533520622 /nfs/dbraw/zinc/52/06/22/533520622.db2.gz UULLVZAYPMDHNQ-ZIAGYGMSSA-N 2 2 295.431 0.838 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)C(C)(C)n1cncn1 ZINC000453297638 533520626 /nfs/dbraw/zinc/52/06/26/533520626.db2.gz UULLVZAYPMDHNQ-ZIAGYGMSSA-N 2 2 295.431 0.838 20 0 CCADLP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000423144763 533540744 /nfs/dbraw/zinc/54/07/44/533540744.db2.gz HWTQEAUTBMWXIY-KBPBESRZSA-N 3 2 257.422 0.940 20 0 CCADLP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000423144763 533540748 /nfs/dbraw/zinc/54/07/48/533540748.db2.gz HWTQEAUTBMWXIY-KBPBESRZSA-N 3 2 257.422 0.940 20 0 CCADLP COC(=O)COC[C@H](C)[NH2+][C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000449191973 533551052 /nfs/dbraw/zinc/55/10/52/533551052.db2.gz PXESGHJOPKHOEA-FRRDWIJNSA-N 2 2 272.389 0.883 20 0 CCADLP COC(=O)COC[C@H](C)[NH2+][C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000449191973 533551057 /nfs/dbraw/zinc/55/10/57/533551057.db2.gz PXESGHJOPKHOEA-FRRDWIJNSA-N 2 2 272.389 0.883 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC000341783046 130044608 /nfs/dbraw/zinc/04/46/08/130044608.db2.gz UOIKXZFCAMJMKF-UONOGXRCSA-N 2 2 283.416 0.507 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC000341783046 130044609 /nfs/dbraw/zinc/04/46/09/130044609.db2.gz UOIKXZFCAMJMKF-UONOGXRCSA-N 2 2 283.416 0.507 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](CCCCCF)CC1 ZINC000341834418 130065566 /nfs/dbraw/zinc/06/55/66/130065566.db2.gz KAGOKYVTGYUPAW-UHFFFAOYSA-N 2 2 259.369 0.832 20 0 CCADLP [NH3+]C1(C[NH2+]CC(=O)Nc2ccc3c(c2)OCO3)CCC1 ZINC000342129193 130287812 /nfs/dbraw/zinc/28/78/12/130287812.db2.gz NHNPTPBCNMOJTI-UHFFFAOYSA-N 2 2 277.324 0.825 20 0 CCADLP CCCCNC(=O)NC(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000342131906 130291035 /nfs/dbraw/zinc/29/10/35/130291035.db2.gz MOKXVHZPBCMSEE-UHFFFAOYSA-N 2 2 256.350 0.083 20 0 CCADLP COc1ccccc1CCNC(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000342138417 130296153 /nfs/dbraw/zinc/29/61/53/130296153.db2.gz NHNYZEZALDDANJ-UHFFFAOYSA-N 2 2 291.395 0.825 20 0 CCADLP c1cc2c(nc[nH+]c2N2CCN([C@H]3CC[NH2+]C3)CC2)[nH]1 ZINC000333134729 285453011 /nfs/dbraw/zinc/45/30/11/285453011.db2.gz BKOJJPKERADFKZ-NSHDSACASA-N 2 2 272.356 0.442 20 0 CCADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H](C)[C@H](C)[NH3+])CC1 ZINC000192099201 130369825 /nfs/dbraw/zinc/36/98/25/130369825.db2.gz RSUOBLBCWVJCBE-MNOVXSKESA-N 2 2 294.399 0.919 20 0 CCADLP O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CC[NH2+]CC1 ZINC000237886770 131063267 /nfs/dbraw/zinc/06/32/67/131063267.db2.gz FPYLEYRXVMRSSR-UHFFFAOYSA-N 2 2 257.297 0.313 20 0 CCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C1CC[NH2+]CC1 ZINC000237904202 131064553 /nfs/dbraw/zinc/06/45/53/131064553.db2.gz PYAHYZGZJRPKTL-ZDUSSCGKSA-N 2 2 274.368 0.776 20 0 CCADLP O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@H]1COCC[NH2+]1 ZINC000238096397 131076806 /nfs/dbraw/zinc/07/68/06/131076806.db2.gz YCNCYUPROJZRGB-OAHLLOKOSA-N 2 2 289.379 0.149 20 0 CCADLP O=C(NCC[N@H+]1CCc2ccccc2C1)[C@H]1COCC[NH2+]1 ZINC000238096397 131076809 /nfs/dbraw/zinc/07/68/09/131076809.db2.gz YCNCYUPROJZRGB-OAHLLOKOSA-N 2 2 289.379 0.149 20 0 CCADLP CCN1CCC[C@H]([NH2+][C@H](C)C[C@H]2COCC[NH2+]2)C1 ZINC000252961628 131139764 /nfs/dbraw/zinc/13/97/64/131139764.db2.gz OGWRNMAMDUKLFS-RDBSUJKOSA-N 2 2 255.406 0.827 20 0 CCADLP O=C(c1ccc2[nH+]ccn2c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262017002 131184586 /nfs/dbraw/zinc/18/45/86/131184586.db2.gz IEKDLPSLPJNUKY-AWEZNQCLSA-N 2 2 299.378 0.454 20 0 CCADLP CN(C)c1ccc(CNC(=O)C[C@@H]2C[NH2+]CCO2)c[nH+]1 ZINC000269242709 132140407 /nfs/dbraw/zinc/14/04/07/132140407.db2.gz RMSXYTBDFSOPIH-GFCCVEGCSA-N 2 2 278.356 0.142 20 0 CCADLP Cc1cn2cc(NC(=O)[C@@H]3C[NH2+]CCO3)ccc2[nH+]1 ZINC000269251409 132142764 /nfs/dbraw/zinc/14/27/64/132142764.db2.gz PVNWLJAKLKPNTE-NSHDSACASA-N 2 2 260.297 0.570 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)Cn1cncn1 ZINC000657867270 413069347 /nfs/dbraw/zinc/06/93/47/413069347.db2.gz FFHGSLAAQLEPEG-OLZOCXBDSA-N 2 2 267.377 0.367 20 0 CCADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)Cn1cncn1 ZINC000657867270 413069352 /nfs/dbraw/zinc/06/93/52/413069352.db2.gz FFHGSLAAQLEPEG-OLZOCXBDSA-N 2 2 267.377 0.367 20 0 CCADLP COC(C)(C)[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000340476328 292077532 /nfs/dbraw/zinc/07/75/32/292077532.db2.gz UFTIXDXHYNTACM-RYUDHWBXSA-N 2 2 271.405 0.729 20 0 CCADLP COC(C)(C)[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000340476328 292077533 /nfs/dbraw/zinc/07/75/33/292077533.db2.gz UFTIXDXHYNTACM-RYUDHWBXSA-N 2 2 271.405 0.729 20 0 CCADLP C[C@H](CC(=O)N(C)C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658292115 413116965 /nfs/dbraw/zinc/11/69/65/413116965.db2.gz MAXZEOHCQOQALS-TZMCWYRMSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@@H](Cn1cncn1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658294005 413117194 /nfs/dbraw/zinc/11/71/94/413117194.db2.gz DSISMOOVKJUAOR-DZGCQCFKSA-N 2 2 293.415 0.900 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1cccc(N)c1 ZINC000035359928 397377232 /nfs/dbraw/zinc/37/72/32/397377232.db2.gz CDMYRHKXCFNUGD-UHFFFAOYSA-N 2 2 276.384 0.475 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1cccc(N)c1 ZINC000035359928 397377246 /nfs/dbraw/zinc/37/72/46/397377246.db2.gz CDMYRHKXCFNUGD-UHFFFAOYSA-N 2 2 276.384 0.475 20 0 CCADLP C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(CCC[NH3+])CC1 ZINC000037037911 397379605 /nfs/dbraw/zinc/37/96/05/397379605.db2.gz AXFKZGRIRYUPFF-CYBMUJFWSA-N 2 2 282.432 0.400 20 0 CCADLP C[C@H](C(=O)NC1CCCC1)N1CC[NH+](CCC[NH3+])CC1 ZINC000037037911 397379611 /nfs/dbraw/zinc/37/96/11/397379611.db2.gz AXFKZGRIRYUPFF-CYBMUJFWSA-N 2 2 282.432 0.400 20 0 CCADLP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000353459261 397468083 /nfs/dbraw/zinc/46/80/83/397468083.db2.gz LQUXZFXJQBXDOG-MGPQQGTHSA-N 2 2 283.416 0.457 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000356880177 144040656 /nfs/dbraw/zinc/04/06/56/144040656.db2.gz NUVGFOMEWAUVBA-RDBSUJKOSA-N 2 2 283.416 0.506 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000356880177 144040657 /nfs/dbraw/zinc/04/06/57/144040657.db2.gz NUVGFOMEWAUVBA-RDBSUJKOSA-N 2 2 283.416 0.506 20 0 CCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357074700 144057396 /nfs/dbraw/zinc/05/73/96/144057396.db2.gz IKYYVFWOQGKSLJ-UTUOFQBUSA-N 2 2 296.415 0.541 20 0 CCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357074700 144057397 /nfs/dbraw/zinc/05/73/97/144057397.db2.gz IKYYVFWOQGKSLJ-UTUOFQBUSA-N 2 2 296.415 0.541 20 0 CCADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)NCC1CCC1 ZINC000357080622 144057716 /nfs/dbraw/zinc/05/77/16/144057716.db2.gz FIRPWPNXQKMABK-STQMWFEESA-N 2 2 251.374 0.444 20 0 CCADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)NCC1CCC1 ZINC000357080622 144057717 /nfs/dbraw/zinc/05/77/17/144057717.db2.gz FIRPWPNXQKMABK-STQMWFEESA-N 2 2 251.374 0.444 20 0 CCADLP C[N@H+](CC(=O)NCCC(C)(C)C)C1CC[NH+](CCO)CC1 ZINC000357645221 144108461 /nfs/dbraw/zinc/10/84/61/144108461.db2.gz IXPOVTLSPVAULG-UHFFFAOYSA-N 2 2 299.459 0.927 20 0 CCADLP C[N@@H+](CC(=O)NCCC(C)(C)C)C1CC[NH+](CCO)CC1 ZINC000357645221 144108463 /nfs/dbraw/zinc/10/84/63/144108463.db2.gz IXPOVTLSPVAULG-UHFFFAOYSA-N 2 2 299.459 0.927 20 0 CCADLP C[C@H](C(=O)NC1CCCC1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357649370 144108894 /nfs/dbraw/zinc/10/88/94/144108894.db2.gz PSZURBBVOZAUFU-CYBMUJFWSA-N 2 2 297.443 0.822 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@]2(C)CCCOC2)CC1 ZINC000357985875 144140371 /nfs/dbraw/zinc/14/03/71/144140371.db2.gz MSHGYRNCZLFLFT-INIZCTEOSA-N 2 2 297.443 0.945 20 0 CCADLP CCc1ncc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)s1 ZINC000358127693 144155080 /nfs/dbraw/zinc/15/50/80/144155080.db2.gz BVVGUIHHAIKLNH-GFCCVEGCSA-N 2 2 255.387 0.862 20 0 CCADLP CCc1ncc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)s1 ZINC000358127693 144155081 /nfs/dbraw/zinc/15/50/81/144155081.db2.gz BVVGUIHHAIKLNH-GFCCVEGCSA-N 2 2 255.387 0.862 20 0 CCADLP COCc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)o1 ZINC000358134344 144155918 /nfs/dbraw/zinc/15/59/18/144155918.db2.gz IWCQSRZKDZIWPC-CYBMUJFWSA-N 2 2 254.330 0.582 20 0 CCADLP COCc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)o1 ZINC000358134344 144155919 /nfs/dbraw/zinc/15/59/19/144155919.db2.gz IWCQSRZKDZIWPC-CYBMUJFWSA-N 2 2 254.330 0.582 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000358537353 144160221 /nfs/dbraw/zinc/16/02/21/144160221.db2.gz ZVAVPLLGZWBGLS-NEPJUHHUSA-N 2 2 279.388 0.869 20 0 CCADLP CCC[N@H+](C)CC(=O)NCCNc1cccc[nH+]1 ZINC000359240103 144205002 /nfs/dbraw/zinc/20/50/02/144205002.db2.gz HILZXSQPZJPOKV-UHFFFAOYSA-N 2 2 250.346 0.952 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCCNc1cccc[nH+]1 ZINC000359240103 144205003 /nfs/dbraw/zinc/20/50/03/144205003.db2.gz HILZXSQPZJPOKV-UHFFFAOYSA-N 2 2 250.346 0.952 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCCNc2cccc[nH+]2)C1 ZINC000370025701 144288068 /nfs/dbraw/zinc/28/80/68/144288068.db2.gz JSHSCJYBOVXEJW-GFCCVEGCSA-N 2 2 278.356 0.330 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NCCNc2cccc[nH+]2)C1 ZINC000370025701 144288071 /nfs/dbraw/zinc/28/80/71/144288071.db2.gz JSHSCJYBOVXEJW-GFCCVEGCSA-N 2 2 278.356 0.330 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000370755622 144315125 /nfs/dbraw/zinc/31/51/25/144315125.db2.gz FCQGBARYHRXYFK-LLVKDONJSA-N 2 2 273.340 0.739 20 0 CCADLP CCNC(=O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371303618 144326578 /nfs/dbraw/zinc/32/65/78/144326578.db2.gz PIDFLQKPKYHWRQ-KGLIPLIRSA-N 2 2 282.432 0.080 20 0 CCADLP CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1CCn1cc[nH+]c1 ZINC000372921984 144385734 /nfs/dbraw/zinc/38/57/34/144385734.db2.gz FEIWMFHHFUGYSJ-QWHCGFSZSA-N 2 2 281.356 0.926 20 0 CCADLP CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1CCn1cc[nH+]c1 ZINC000372921984 144385735 /nfs/dbraw/zinc/38/57/35/144385735.db2.gz FEIWMFHHFUGYSJ-QWHCGFSZSA-N 2 2 281.356 0.926 20 0 CCADLP COC(=O)[C@H]1CC[N@H+](CCc2c[nH+]cn2C)[C@@H]1C ZINC000459437163 397556138 /nfs/dbraw/zinc/55/61/38/397556138.db2.gz QYZVSKHLDAJEPX-PWSUYJOCSA-N 2 2 251.330 0.846 20 0 CCADLP COC(=O)[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)[C@@H]1C ZINC000459437163 397556141 /nfs/dbraw/zinc/55/61/41/397556141.db2.gz QYZVSKHLDAJEPX-PWSUYJOCSA-N 2 2 251.330 0.846 20 0 CCADLP C[C@H](CN1CCOCC1)[N@H+](C)CCc1c[nH+]cn1C ZINC000459443514 397556209 /nfs/dbraw/zinc/55/62/09/397556209.db2.gz QETSLTUMOCNMAM-CYBMUJFWSA-N 2 2 266.389 0.615 20 0 CCADLP C[C@H](CN1CCOCC1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000459443514 397556211 /nfs/dbraw/zinc/55/62/11/397556211.db2.gz QETSLTUMOCNMAM-CYBMUJFWSA-N 2 2 266.389 0.615 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@]1(CCOC)CCOC1 ZINC000571937346 397579807 /nfs/dbraw/zinc/57/98/07/397579807.db2.gz SRMAIDZHEBVWGJ-STQMWFEESA-N 2 2 260.378 0.084 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@]1(CCOC)CCOC1 ZINC000571937346 397579809 /nfs/dbraw/zinc/57/98/09/397579809.db2.gz SRMAIDZHEBVWGJ-STQMWFEESA-N 2 2 260.378 0.084 20 0 CCADLP Cc1cncc(CC[NH2+][C@@H]2CCC[C@@H]2[N@@H+]2CC[C@H](O)C2)n1 ZINC000649634830 397651638 /nfs/dbraw/zinc/65/16/38/397651638.db2.gz WMLGNGLKWSFRDM-XHSDSOJGSA-N 2 2 290.411 0.905 20 0 CCADLP Cc1cncc(CC[NH2+][C@@H]2CCC[C@@H]2[N@H+]2CC[C@H](O)C2)n1 ZINC000649634830 397651640 /nfs/dbraw/zinc/65/16/40/397651640.db2.gz WMLGNGLKWSFRDM-XHSDSOJGSA-N 2 2 290.411 0.905 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)Nc1ccc(N(C)CCO)c[nH+]1 ZINC000643478618 397599266 /nfs/dbraw/zinc/59/92/66/397599266.db2.gz NPXZXBWZGHFCAP-STQMWFEESA-N 2 2 294.399 0.689 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](CCOCC2CCC2)CC1=O ZINC000649684767 397655256 /nfs/dbraw/zinc/65/52/56/397655256.db2.gz BAMUOJSZDNQOQC-UHFFFAOYSA-N 2 2 283.416 0.509 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](CCOCC2CCC2)CC1=O ZINC000649684767 397655260 /nfs/dbraw/zinc/65/52/60/397655260.db2.gz BAMUOJSZDNQOQC-UHFFFAOYSA-N 2 2 283.416 0.509 20 0 CCADLP Cn1cc(N2CCC[C@H]([N@H+](C)CCC[NH3+])C2=O)cn1 ZINC000649410142 397606014 /nfs/dbraw/zinc/60/60/14/397606014.db2.gz SUUQEFLGDAXWGF-LBPRGKRZSA-N 2 2 265.361 0.196 20 0 CCADLP Cn1cc(N2CCC[C@H]([N@@H+](C)CCC[NH3+])C2=O)cn1 ZINC000649410142 397606015 /nfs/dbraw/zinc/60/60/15/397606015.db2.gz SUUQEFLGDAXWGF-LBPRGKRZSA-N 2 2 265.361 0.196 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](C[C@@H](O)CC2CCCC2)CC1=O ZINC000649686121 397656424 /nfs/dbraw/zinc/65/64/24/397656424.db2.gz ZKQAXIXQKZBPLV-HNNXBMFYSA-N 2 2 297.443 0.633 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](C[C@@H](O)CC2CCCC2)CC1=O ZINC000649686121 397656427 /nfs/dbraw/zinc/65/64/27/397656427.db2.gz ZKQAXIXQKZBPLV-HNNXBMFYSA-N 2 2 297.443 0.633 20 0 CCADLP Cc1cc(NC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C)n(C)n1 ZINC000649419985 397610201 /nfs/dbraw/zinc/61/02/01/397610201.db2.gz GPHMRSFGCVIFFH-SNVBAGLBSA-N 2 2 267.377 0.630 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)NCCC1CC[NH2+]CC1 ZINC000649481606 397619417 /nfs/dbraw/zinc/61/94/17/397619417.db2.gz NDOJKFSUAQLZSL-UHFFFAOYSA-N 2 2 279.388 0.962 20 0 CCADLP Cc1cc[nH+]cc1N1CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC000649597026 397643804 /nfs/dbraw/zinc/64/38/04/397643804.db2.gz SWWYQMKJFFJIMS-ZDUSSCGKSA-N 2 2 274.368 0.791 20 0 CCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[NH+](C)CC1)CC2 ZINC000650982945 397797796 /nfs/dbraw/zinc/79/77/96/397797796.db2.gz LSBLVTDMVPKBJR-GFCCVEGCSA-N 2 2 262.357 0.528 20 0 CCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[NH+](C)CC1)CC2 ZINC000650982946 397798032 /nfs/dbraw/zinc/79/80/32/397798032.db2.gz LSBLVTDMVPKBJR-LBPRGKRZSA-N 2 2 262.357 0.528 20 0 CCADLP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCCC(F)(F)C2)C1 ZINC000650709482 397745906 /nfs/dbraw/zinc/74/59/06/397745906.db2.gz AQFMRWVFVJYYHH-LLVKDONJSA-N 2 2 275.343 0.915 20 0 CCADLP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCCC(F)(F)C2)C1 ZINC000650709482 397745912 /nfs/dbraw/zinc/74/59/12/397745912.db2.gz AQFMRWVFVJYYHH-LLVKDONJSA-N 2 2 275.343 0.915 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000651099173 397827077 /nfs/dbraw/zinc/82/70/77/397827077.db2.gz VOJKXRZYLIPQKX-CYBMUJFWSA-N 2 2 282.388 0.919 20 0 CCADLP COCC[N@@H+](C)CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000651099173 397827079 /nfs/dbraw/zinc/82/70/79/397827079.db2.gz VOJKXRZYLIPQKX-CYBMUJFWSA-N 2 2 282.388 0.919 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2[C@H](C)C[C@H]2C)C1 ZINC000548426365 286035488 /nfs/dbraw/zinc/03/54/88/286035488.db2.gz WOIOYKZYAXSGPC-RBSFLKMASA-N 2 2 297.443 0.942 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2[C@H](C)C[C@H]2C)C1 ZINC000548426365 286035490 /nfs/dbraw/zinc/03/54/90/286035490.db2.gz WOIOYKZYAXSGPC-RBSFLKMASA-N 2 2 297.443 0.942 20 0 CCADLP C[N@H+](CC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCSC1 ZINC000551921745 286136654 /nfs/dbraw/zinc/13/66/54/286136654.db2.gz JROPPPPUEQFAAV-MNOVXSKESA-N 2 2 294.424 0.821 20 0 CCADLP C[N@@H+](CC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCSC1 ZINC000551921745 286136655 /nfs/dbraw/zinc/13/66/55/286136655.db2.gz JROPPPPUEQFAAV-MNOVXSKESA-N 2 2 294.424 0.821 20 0 CCADLP C[N@H+](CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCSC1 ZINC000551921745 286136656 /nfs/dbraw/zinc/13/66/56/286136656.db2.gz JROPPPPUEQFAAV-MNOVXSKESA-N 2 2 294.424 0.821 20 0 CCADLP C[N@@H+](CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCSC1 ZINC000551921745 286136658 /nfs/dbraw/zinc/13/66/58/286136658.db2.gz JROPPPPUEQFAAV-MNOVXSKESA-N 2 2 294.424 0.821 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000659358739 413442291 /nfs/dbraw/zinc/44/22/91/413442291.db2.gz SXXPLMDILUOKRA-MGPQQGTHSA-N 2 2 281.400 0.437 20 0 CCADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(-n2cncn2)cc1 ZINC000154382820 287031228 /nfs/dbraw/zinc/03/12/28/287031228.db2.gz LMRYASJQEFJOPY-IUODEOHRSA-N 2 2 289.383 0.840 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2Cc3ccccc32)[C@@H](C[NH3+])C1 ZINC000122552446 411706245 /nfs/dbraw/zinc/70/62/45/411706245.db2.gz BAAXBBASSUGDFO-GXTWGEPZSA-N 2 2 259.353 0.428 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2Cc3ccccc32)[C@@H](C[NH3+])C1 ZINC000122552446 411706247 /nfs/dbraw/zinc/70/62/47/411706247.db2.gz BAAXBBASSUGDFO-GXTWGEPZSA-N 2 2 259.353 0.428 20 0 CCADLP C[C@@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)C[NH+]1CCCC1 ZINC000062071586 411688527 /nfs/dbraw/zinc/68/85/27/411688527.db2.gz VFEAYGFRGHONKY-LSDHHAIUSA-N 3 2 269.433 0.765 20 0 CCADLP CCO[C@@H]1C[N@H+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1C[NH3+] ZINC000405227208 411799835 /nfs/dbraw/zinc/79/98/35/411799835.db2.gz UADGLKZVEHAXKN-BFHYXJOUSA-N 2 2 283.416 0.541 20 0 CCADLP CCO[C@@H]1C[N@@H+](CC(=O)N2CCC[C@H](C)C2)C[C@H]1C[NH3+] ZINC000405227208 411799839 /nfs/dbraw/zinc/79/98/39/411799839.db2.gz UADGLKZVEHAXKN-BFHYXJOUSA-N 2 2 283.416 0.541 20 0 CCADLP CCO[C@@H]1C[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2C)C[C@H]1C[NH3+] ZINC000405605218 411804712 /nfs/dbraw/zinc/80/47/12/411804712.db2.gz QQTBNXNWFNSAJL-KBUPBQIOSA-N 2 2 297.443 0.977 20 0 CCADLP CCO[C@@H]1C[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2C)C[C@H]1C[NH3+] ZINC000405605218 411804715 /nfs/dbraw/zinc/80/47/15/411804715.db2.gz QQTBNXNWFNSAJL-KBUPBQIOSA-N 2 2 297.443 0.977 20 0 CCADLP [NH3+]Cc1ccc(CNC(=O)NCCn2cc[nH+]c2)c(F)c1 ZINC000652120013 411989709 /nfs/dbraw/zinc/98/97/09/411989709.db2.gz QCJYSRWDDSAEES-UHFFFAOYSA-N 2 2 291.330 0.980 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)NCCC1(C[NH3+])CC1)CC2 ZINC000652238096 412016468 /nfs/dbraw/zinc/01/64/68/412016468.db2.gz SRUHBZAXOOJERR-UHFFFAOYSA-N 2 2 277.372 0.846 20 0 CCADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000652338526 412031757 /nfs/dbraw/zinc/03/17/57/412031757.db2.gz RVGXUUQOBOAISP-HNNXBMFYSA-N 2 2 279.384 0.485 20 0 CCADLP CC(C)Cc1nnc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)s1 ZINC000653057489 412204371 /nfs/dbraw/zinc/20/43/71/412204371.db2.gz DNRQPFRJANRVOT-VIFPVBQESA-N 2 2 285.417 0.954 20 0 CCADLP CC(C)c1nnc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)s1 ZINC000653062124 412206139 /nfs/dbraw/zinc/20/61/39/412206139.db2.gz MOMULSHQSSZAGU-MRVPVSSYSA-N 2 2 271.390 0.879 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc2nccnc2c1 ZINC000653065932 412206909 /nfs/dbraw/zinc/20/69/09/412206909.db2.gz ZYIBNRRSTJMDLH-LLVKDONJSA-N 2 2 273.340 0.847 20 0 CCADLP CO[C@@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccccc1 ZINC000653064430 412206985 /nfs/dbraw/zinc/20/69/85/412206985.db2.gz ULYUMRNADDCQEI-KGLIPLIRSA-N 2 2 279.384 0.769 20 0 CCADLP CN(CC[NH+]1CCCCC1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653274781 412276494 /nfs/dbraw/zinc/27/64/94/412276494.db2.gz OJKHQPACAMMDLP-ZDUSSCGKSA-N 3 2 270.421 0.210 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000653299322 412285586 /nfs/dbraw/zinc/28/55/86/412285586.db2.gz OTMGJLCSZZXYPZ-OEAJRASXSA-N 3 2 277.412 0.729 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000653299322 412285588 /nfs/dbraw/zinc/28/55/88/412285588.db2.gz OTMGJLCSZZXYPZ-OEAJRASXSA-N 3 2 277.412 0.729 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@@]2(CCCOC2)C1 ZINC000653095521 412217104 /nfs/dbraw/zinc/21/71/04/412217104.db2.gz LTIGOGKYFMKAKK-DZGCQCFKSA-N 2 2 283.416 0.685 20 0 CCADLP CO[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(C)(C)C ZINC000653100080 412218959 /nfs/dbraw/zinc/21/89/59/412218959.db2.gz HOMJXIDVWLQLQK-QWRGUYRKSA-N 2 2 259.394 0.443 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cccnc1-n1cccn1 ZINC000653108644 412222473 /nfs/dbraw/zinc/22/24/73/412222473.db2.gz CKDBJUUKGUEJJT-LLVKDONJSA-N 2 2 288.355 0.485 20 0 CCADLP CCc1nc(CN(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)cs1 ZINC000653112620 412224505 /nfs/dbraw/zinc/22/45/05/412224505.db2.gz DKXYUGPHNIOBEX-LLVKDONJSA-N 2 2 284.429 0.943 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000653113223 412226714 /nfs/dbraw/zinc/22/67/14/412226714.db2.gz WZSAJYQSZKPFIG-OAHLLOKOSA-N 3 2 292.427 0.514 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000653113223 412226719 /nfs/dbraw/zinc/22/67/19/412226719.db2.gz WZSAJYQSZKPFIG-OAHLLOKOSA-N 3 2 292.427 0.514 20 0 CCADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653119285 412228974 /nfs/dbraw/zinc/22/89/74/412228974.db2.gz FCLNJDTUAALJQS-KGLIPLIRSA-N 3 2 284.448 0.360 20 0 CCADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653119285 412228977 /nfs/dbraw/zinc/22/89/77/412228977.db2.gz FCLNJDTUAALJQS-KGLIPLIRSA-N 3 2 284.448 0.360 20 0 CCADLP CC[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1ccncc1 ZINC000653119370 412230543 /nfs/dbraw/zinc/23/05/43/412230543.db2.gz HOJZXYBDRPJOIS-STQMWFEESA-N 2 2 264.373 0.928 20 0 CCADLP Cc1cnc([C@@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C)s1 ZINC000653123399 412231849 /nfs/dbraw/zinc/23/18/49/412231849.db2.gz XLAXHHWPQYWPLF-NXEZZACHSA-N 2 2 270.402 0.908 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000653143188 412240736 /nfs/dbraw/zinc/24/07/36/412240736.db2.gz HRFQUAHONKGFCH-OCCSQVGLSA-N 2 2 288.395 0.972 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC([C@@H]2CCCO2)CC1 ZINC000653150726 412243395 /nfs/dbraw/zinc/24/33/95/412243395.db2.gz MWRZXKJJSPXSMD-KBPBESRZSA-N 2 2 283.416 0.683 20 0 CCADLP COc1cc(C)cc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000653151330 412244186 /nfs/dbraw/zinc/24/41/86/412244186.db2.gz CYAXWAISZLJVAJ-AWEZNQCLSA-N 2 2 279.384 0.899 20 0 CCADLP CC(C)[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)CCO1 ZINC000653154427 412244650 /nfs/dbraw/zinc/24/46/50/412244650.db2.gz RPBBVACDMALZTQ-UPJWGTAASA-N 2 2 271.405 0.585 20 0 CCADLP Cc1cc(CCNC(=O)[C@H]([NH3+])CC[NH+](C)C)cc(C)c1O ZINC000653160309 412247050 /nfs/dbraw/zinc/24/70/50/412247050.db2.gz BVSSWKXYLWGLAR-CQSZACIVSA-N 2 2 293.411 0.947 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000653162654 412247806 /nfs/dbraw/zinc/24/78/06/412247806.db2.gz VTPVVLGDZBSHFG-HUUCEWRRSA-N 3 2 292.427 0.862 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC(C2CCOCC2)CC1 ZINC000653167558 412249420 /nfs/dbraw/zinc/24/94/20/412249420.db2.gz ZEKJDZFTMLDWRR-HNNXBMFYSA-N 2 2 297.443 0.931 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000653165120 412249614 /nfs/dbraw/zinc/24/96/14/412249614.db2.gz QFUMGTPXMOANJV-STQMWFEESA-N 3 2 276.384 0.182 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC=C(COC)CC1 ZINC000653622759 412325807 /nfs/dbraw/zinc/32/58/07/412325807.db2.gz RYNCWMSVJMGVTL-CQSZACIVSA-N 2 2 272.389 0.204 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC=C(COC)CC1 ZINC000653622759 412325811 /nfs/dbraw/zinc/32/58/11/412325811.db2.gz RYNCWMSVJMGVTL-CQSZACIVSA-N 2 2 272.389 0.204 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC=C(COC)CC1 ZINC000653622759 412325814 /nfs/dbraw/zinc/32/58/14/412325814.db2.gz RYNCWMSVJMGVTL-CQSZACIVSA-N 2 2 272.389 0.204 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC=C(COC)CC1 ZINC000653622759 412325817 /nfs/dbraw/zinc/32/58/17/412325817.db2.gz RYNCWMSVJMGVTL-CQSZACIVSA-N 2 2 272.389 0.204 20 0 CCADLP Cn1ccc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1=O ZINC000653646506 412329603 /nfs/dbraw/zinc/32/96/03/412329603.db2.gz SVTSNQBPRYTPIC-UHFFFAOYSA-N 2 2 273.340 0.431 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000653644082 412330236 /nfs/dbraw/zinc/33/02/36/412330236.db2.gz NBVSIJYEULYWOZ-UHFFFAOYSA-N 3 2 260.345 0.508 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(C2(O)CC2)CC1 ZINC000653778270 412344940 /nfs/dbraw/zinc/34/49/40/412344940.db2.gz PMDKWAQDPADACW-AWEZNQCLSA-N 2 2 286.416 0.162 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C2(O)CC2)CC1 ZINC000653778270 412344942 /nfs/dbraw/zinc/34/49/42/412344942.db2.gz PMDKWAQDPADACW-AWEZNQCLSA-N 2 2 286.416 0.162 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC([C@H](C)CO)CC1 ZINC000653778755 412346128 /nfs/dbraw/zinc/34/61/28/412346128.db2.gz FSZBWWMTOMOEFW-UKRRQHHQSA-N 2 2 288.432 0.266 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC([C@H](C)CO)CC1 ZINC000653778755 412346132 /nfs/dbraw/zinc/34/61/32/412346132.db2.gz FSZBWWMTOMOEFW-UKRRQHHQSA-N 2 2 288.432 0.266 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)OCC12CCC2 ZINC000653778917 412346231 /nfs/dbraw/zinc/34/62/31/412346231.db2.gz INJJSAZWRNTVLW-UONOGXRCSA-N 2 2 286.416 0.569 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)OCC12CCC2 ZINC000653778917 412346233 /nfs/dbraw/zinc/34/62/33/412346233.db2.gz INJJSAZWRNTVLW-UONOGXRCSA-N 2 2 286.416 0.569 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](C)OCC12CCC2 ZINC000653778917 412346236 /nfs/dbraw/zinc/34/62/36/412346236.db2.gz INJJSAZWRNTVLW-UONOGXRCSA-N 2 2 286.416 0.569 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](C)OCC12CCC2 ZINC000653778917 412346240 /nfs/dbraw/zinc/34/62/40/412346240.db2.gz INJJSAZWRNTVLW-UONOGXRCSA-N 2 2 286.416 0.569 20 0 CCADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCCCn2cc[nH+]c2)C1 ZINC000653477129 412304887 /nfs/dbraw/zinc/30/48/87/412304887.db2.gz GARCSHHVFANPQI-BETUJISGSA-N 2 2 279.388 0.913 20 0 CCADLP CC[N@@H+]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC000655030674 412464523 /nfs/dbraw/zinc/46/45/23/412464523.db2.gz YJAUYTDWKXOHNE-LLVKDONJSA-N 2 2 250.346 0.744 20 0 CCADLP CC[N@H+]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC000655030674 412464524 /nfs/dbraw/zinc/46/45/24/412464524.db2.gz YJAUYTDWKXOHNE-LLVKDONJSA-N 2 2 250.346 0.744 20 0 CCADLP C[C@H](C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1)[NH+]1CC(C)C1 ZINC000655065268 412472255 /nfs/dbraw/zinc/47/22/55/412472255.db2.gz HROXUJBNBVHKMQ-MCIONIFRSA-N 2 2 281.400 0.258 20 0 CCADLP C[C@H](C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1)[NH+]1CC(C)C1 ZINC000655065268 412472258 /nfs/dbraw/zinc/47/22/58/412472258.db2.gz HROXUJBNBVHKMQ-MCIONIFRSA-N 2 2 281.400 0.258 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000655070958 412473453 /nfs/dbraw/zinc/47/34/53/412473453.db2.gz POGKZWLLTXSKSW-NWDGAFQWSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000655070958 412473456 /nfs/dbraw/zinc/47/34/56/412473456.db2.gz POGKZWLLTXSKSW-NWDGAFQWSA-N 2 2 262.357 0.656 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000659427948 413492083 /nfs/dbraw/zinc/49/20/83/413492083.db2.gz KVALTJDHULVTQO-JTQLQIEISA-N 2 2 261.329 0.741 20 0 CCADLP CN(C)c1ccc(CNC(=O)N2CC3CC2(C[NH3+])C3)c[nH+]1 ZINC000659433400 413493871 /nfs/dbraw/zinc/49/38/71/413493871.db2.gz DAUKDETVVHXUKM-UHFFFAOYSA-N 2 2 289.383 0.780 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000659435174 413498362 /nfs/dbraw/zinc/49/83/62/413498362.db2.gz VFCNVMIVDFCVMW-SNVBAGLBSA-N 2 2 265.361 0.555 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659437571 413498595 /nfs/dbraw/zinc/49/85/95/413498595.db2.gz NQVIJGFNANYJSO-ZBOXLXRLSA-N 2 2 263.345 0.323 20 0 CCADLP C[C@@H](NC(=O)NC[C@H]1CCCC[NH2+]1)c1[nH+]ccn1C ZINC000659508207 413567669 /nfs/dbraw/zinc/56/76/69/413567669.db2.gz ONVXILWZKBDEPK-GHMZBOCLSA-N 2 2 265.361 0.922 20 0 CCADLP C[C@@H](NC(=O)NC[C@@H]1CCC[NH2+]1)c1[nH+]ccn1C ZINC000659517242 413584342 /nfs/dbraw/zinc/58/43/42/413584342.db2.gz ZMZMAJIFZDCGPE-ZJUUUORDSA-N 2 2 251.334 0.532 20 0 CCADLP C[C@@H]([NH3+])CNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000659540310 413628140 /nfs/dbraw/zinc/62/81/40/413628140.db2.gz VFWIAANKSWLDLT-GFCCVEGCSA-N 2 2 284.404 0.087 20 0 CCADLP C[C@H]([NH3+])[C@H](C)NC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000659548250 413636827 /nfs/dbraw/zinc/63/68/27/413636827.db2.gz HJMWWBXQRWHAAG-STQMWFEESA-N 2 2 298.431 0.476 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000659634080 413733372 /nfs/dbraw/zinc/73/33/72/413733372.db2.gz IENTVRFGNJTTHE-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000659635231 413736585 /nfs/dbraw/zinc/73/65/85/413736585.db2.gz BRFICDNRYZGPGP-QWRGUYRKSA-N 2 2 265.361 0.907 20 0 CCADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)[C@@H]1CCNC1=O ZINC000285583494 196334055 /nfs/dbraw/zinc/33/40/55/196334055.db2.gz ITOZGSHANWHRDE-CYBMUJFWSA-N 2 2 265.357 0.922 20 0 CCADLP C[NH+](CCC[N@H+](C)Cc1ccco1)[C@@H]1CCNC1=O ZINC000285583494 196334057 /nfs/dbraw/zinc/33/40/57/196334057.db2.gz ITOZGSHANWHRDE-CYBMUJFWSA-N 2 2 265.357 0.922 20 0 CCADLP C[NH+](CCC[N@H+](C)[C@@H]1CCNC1=O)Cc1ccco1 ZINC000285583494 196334058 /nfs/dbraw/zinc/33/40/58/196334058.db2.gz ITOZGSHANWHRDE-CYBMUJFWSA-N 2 2 265.357 0.922 20 0 CCADLP C[NH+](CCC[N@@H+](C)[C@@H]1CCNC1=O)Cc1ccco1 ZINC000285583494 196334060 /nfs/dbraw/zinc/33/40/60/196334060.db2.gz ITOZGSHANWHRDE-CYBMUJFWSA-N 2 2 265.357 0.922 20 0 CCADLP CCC1(O)CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000659957786 414001295 /nfs/dbraw/zinc/00/12/95/414001295.db2.gz MRBNSMAHAWWCIX-ZDUSSCGKSA-N 2 2 258.406 0.924 20 0 CCADLP CCC1(O)CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000659957786 414001300 /nfs/dbraw/zinc/00/13/00/414001300.db2.gz MRBNSMAHAWWCIX-ZDUSSCGKSA-N 2 2 258.406 0.924 20 0 CCADLP CCN1OC[C@H]([N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)C1=O ZINC000660011102 414051552 /nfs/dbraw/zinc/05/15/52/414051552.db2.gz NLZTUMRMQNWXAY-AGIUHOORSA-N 2 2 267.373 0.565 20 0 CCADLP CCN1OC[C@H]([N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)C1=O ZINC000660011102 414051563 /nfs/dbraw/zinc/05/15/63/414051563.db2.gz NLZTUMRMQNWXAY-AGIUHOORSA-N 2 2 267.373 0.565 20 0 CCADLP CCN1OC[C@H]([NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)C1=O ZINC000660011102 414051570 /nfs/dbraw/zinc/05/15/70/414051570.db2.gz NLZTUMRMQNWXAY-AGIUHOORSA-N 2 2 267.373 0.565 20 0 CCADLP CCN1OC[C@H]([NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)C1=O ZINC000660011102 414051577 /nfs/dbraw/zinc/05/15/77/414051577.db2.gz NLZTUMRMQNWXAY-AGIUHOORSA-N 2 2 267.373 0.565 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCS[C@H]2COCC[C@@H]21 ZINC000660017523 414061733 /nfs/dbraw/zinc/06/17/33/414061733.db2.gz MNXHQUCDLKDRQV-IHRRRGAJSA-N 2 2 288.457 0.894 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCS[C@H]2COCC[C@@H]21 ZINC000660017523 414061741 /nfs/dbraw/zinc/06/17/41/414061741.db2.gz MNXHQUCDLKDRQV-IHRRRGAJSA-N 2 2 288.457 0.894 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000660017523 414061751 /nfs/dbraw/zinc/06/17/51/414061751.db2.gz MNXHQUCDLKDRQV-IHRRRGAJSA-N 2 2 288.457 0.894 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000660017523 414061761 /nfs/dbraw/zinc/06/17/61/414061761.db2.gz MNXHQUCDLKDRQV-IHRRRGAJSA-N 2 2 288.457 0.894 20 0 CCADLP C[C@H]1CN(C(=O)C[NH+]2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000037408998 173184846 /nfs/dbraw/zinc/18/48/46/173184846.db2.gz NUFRKKHOAGWNES-QWRGUYRKSA-N 2 2 255.362 0.045 20 0 CCADLP CN(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)Cc1[nH]cc[nH+]1 ZINC000660143297 414150688 /nfs/dbraw/zinc/15/06/88/414150688.db2.gz UXHXWBDPYWTWNV-TXEJJXNPSA-N 2 2 250.346 0.705 20 0 CCADLP CN(CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)Cc1[nH]cc[nH+]1 ZINC000660143297 414150696 /nfs/dbraw/zinc/15/06/96/414150696.db2.gz UXHXWBDPYWTWNV-TXEJJXNPSA-N 2 2 250.346 0.705 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](n2cncn2)C1 ZINC000660323604 414240181 /nfs/dbraw/zinc/24/01/81/414240181.db2.gz AUMLUFYQQJZADB-CHWSQXEVSA-N 2 2 267.377 0.226 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](n2cncn2)C1 ZINC000660323604 414240188 /nfs/dbraw/zinc/24/01/88/414240188.db2.gz AUMLUFYQQJZADB-CHWSQXEVSA-N 2 2 267.377 0.226 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000660323604 414240198 /nfs/dbraw/zinc/24/01/98/414240198.db2.gz AUMLUFYQQJZADB-CHWSQXEVSA-N 2 2 267.377 0.226 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000660323604 414240209 /nfs/dbraw/zinc/24/02/09/414240209.db2.gz AUMLUFYQQJZADB-CHWSQXEVSA-N 2 2 267.377 0.226 20 0 CCADLP O=C1C[C@@H](C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CN1 ZINC000660475069 414350545 /nfs/dbraw/zinc/35/05/45/414350545.db2.gz QGLZKLUBUACQCW-ZIAGYGMSSA-N 2 2 281.400 0.309 20 0 CCADLP O=C1C[C@@H](C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CN1 ZINC000660475069 414350552 /nfs/dbraw/zinc/35/05/52/414350552.db2.gz QGLZKLUBUACQCW-ZIAGYGMSSA-N 2 2 281.400 0.309 20 0 CCADLP CC(C)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@H](O)C(F)(F)F ZINC000660528025 414378129 /nfs/dbraw/zinc/37/81/29/414378129.db2.gz JENKBOAPXCBPEF-WOPDTQHZSA-N 2 2 298.349 0.981 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660658289 414432722 /nfs/dbraw/zinc/43/27/22/414432722.db2.gz DMEDZMOUKGVKMM-ZDUSSCGKSA-N 2 2 289.445 0.343 20 0 CCADLP CCS(=O)(=O)NCC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660658289 414432727 /nfs/dbraw/zinc/43/27/27/414432727.db2.gz DMEDZMOUKGVKMM-ZDUSSCGKSA-N 2 2 289.445 0.343 20 0 CCADLP CCS(=O)(=O)NCC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660658289 414432731 /nfs/dbraw/zinc/43/27/31/414432731.db2.gz DMEDZMOUKGVKMM-ZDUSSCGKSA-N 2 2 289.445 0.343 20 0 CCADLP CCS(=O)(=O)NCC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660658289 414432737 /nfs/dbraw/zinc/43/27/37/414432737.db2.gz DMEDZMOUKGVKMM-ZDUSSCGKSA-N 2 2 289.445 0.343 20 0 CCADLP CC(=O)[C@](C)(O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660664215 414434946 /nfs/dbraw/zinc/43/49/46/414434946.db2.gz QTKBPUIECSFVMS-KGLIPLIRSA-N 2 2 254.374 0.744 20 0 CCADLP CC(=O)[C@](C)(O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660664215 414434954 /nfs/dbraw/zinc/43/49/54/414434954.db2.gz QTKBPUIECSFVMS-KGLIPLIRSA-N 2 2 254.374 0.744 20 0 CCADLP CC(=O)[C@](C)(O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660664215 414434961 /nfs/dbraw/zinc/43/49/61/414434961.db2.gz QTKBPUIECSFVMS-KGLIPLIRSA-N 2 2 254.374 0.744 20 0 CCADLP CC(=O)[C@](C)(O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660664215 414434966 /nfs/dbraw/zinc/43/49/66/414434966.db2.gz QTKBPUIECSFVMS-KGLIPLIRSA-N 2 2 254.374 0.744 20 0 CCADLP Cc1[nH+]ccn1CCN1CC[N@@H+](CCO)C[C@H]1C ZINC000660758703 414473003 /nfs/dbraw/zinc/47/30/03/414473003.db2.gz AXHRPJKSOZTFIZ-GFCCVEGCSA-N 2 2 252.362 0.190 20 0 CCADLP Cc1[nH+]ccn1CCN1CC[N@H+](CCO)C[C@H]1C ZINC000660758703 414473005 /nfs/dbraw/zinc/47/30/05/414473005.db2.gz AXHRPJKSOZTFIZ-GFCCVEGCSA-N 2 2 252.362 0.190 20 0 CCADLP CC(C)[NH2+]C1(CO)CCN(Cc2cn(C)c[nH+]2)CC1 ZINC000660673736 414436495 /nfs/dbraw/zinc/43/64/95/414436495.db2.gz DLQJASNMSJABEH-UHFFFAOYSA-N 2 2 266.389 0.745 20 0 CCADLP C[C@H](NC(=O)N(C)CC1C[NH+](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000660708132 414455416 /nfs/dbraw/zinc/45/54/16/414455416.db2.gz VQNUMWKVLDWXDH-STQMWFEESA-N 2 2 298.431 0.299 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+](C2CC2)C2(CO)CCC2)CC1 ZINC000660774946 414476901 /nfs/dbraw/zinc/47/69/01/414476901.db2.gz XACGVRSJCFNYHS-UHFFFAOYSA-N 2 2 281.400 0.140 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+](C2CC2)C2(CO)CCC2)CC1 ZINC000660774946 414476904 /nfs/dbraw/zinc/47/69/04/414476904.db2.gz XACGVRSJCFNYHS-UHFFFAOYSA-N 2 2 281.400 0.140 20 0 CCADLP C[C@H](CNC(=O)N(C)Cc1c[nH+]c[nH]1)C[NH+]1CCOCC1 ZINC000660848569 414505980 /nfs/dbraw/zinc/50/59/80/414505980.db2.gz IGQLFZSZRIFCSY-GFCCVEGCSA-N 2 2 295.387 0.519 20 0 CCADLP C[C@H](CNC(=O)N(C)Cc1c[nH]c[nH+]1)C[NH+]1CCOCC1 ZINC000660848569 414505982 /nfs/dbraw/zinc/50/59/82/414505982.db2.gz IGQLFZSZRIFCSY-GFCCVEGCSA-N 2 2 295.387 0.519 20 0 CCADLP CCN1CC[C@H]([N@@H+]2CCOC3(CC[NH+](C)CC3)C2)C1=O ZINC000660903698 414523924 /nfs/dbraw/zinc/52/39/24/414523924.db2.gz JXJGFVSISWRPDM-ZDUSSCGKSA-N 2 2 281.400 0.404 20 0 CCADLP CCN1CC[C@H]([N@H+]2CCOC3(CC[NH+](C)CC3)C2)C1=O ZINC000660903698 414523929 /nfs/dbraw/zinc/52/39/29/414523929.db2.gz JXJGFVSISWRPDM-ZDUSSCGKSA-N 2 2 281.400 0.404 20 0 CCADLP C[C@H](CO)[C@@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000661438773 414627507 /nfs/dbraw/zinc/62/75/07/414627507.db2.gz WJERWAHECBPFCL-KGLIPLIRSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@H](CO)[C@@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000661438773 414627509 /nfs/dbraw/zinc/62/75/09/414627509.db2.gz WJERWAHECBPFCL-KGLIPLIRSA-N 2 2 283.416 0.243 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(F)cc1F ZINC000038030989 174023550 /nfs/dbraw/zinc/02/35/50/174023550.db2.gz IEBHUAJTWYCZLA-UHFFFAOYSA-N 2 2 283.322 0.828 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(F)cc1F ZINC000038030989 174023551 /nfs/dbraw/zinc/02/35/51/174023551.db2.gz IEBHUAJTWYCZLA-UHFFFAOYSA-N 2 2 283.322 0.828 20 0 CCADLP CC(C)[C@@H](C)NC(=O)C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662258206 414701267 /nfs/dbraw/zinc/70/12/67/414701267.db2.gz SNIYDJXPGGBGSD-UKRRQHHQSA-N 2 2 297.443 0.848 20 0 CCADLP C([C@H]1CCCCN1C[C@@H]1C[NH2+]CCO1)[NH+]1CCOCC1 ZINC000662262505 414701830 /nfs/dbraw/zinc/70/18/30/414701830.db2.gz VUQLAHSWQMXBDO-CABCVRRESA-N 2 2 283.416 0.162 20 0 CCADLP C([C@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]CCO1)N1CCOCC1 ZINC000662262505 414701831 /nfs/dbraw/zinc/70/18/31/414701831.db2.gz VUQLAHSWQMXBDO-CABCVRRESA-N 2 2 283.416 0.162 20 0 CCADLP C([C@H]1CCCC[N@H+]1C[C@@H]1C[NH2+]CCO1)N1CCOCC1 ZINC000662262505 414701832 /nfs/dbraw/zinc/70/18/32/414701832.db2.gz VUQLAHSWQMXBDO-CABCVRRESA-N 2 2 283.416 0.162 20 0 CCADLP CN(C)C(=O)CC1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662279137 414704913 /nfs/dbraw/zinc/70/49/13/414704913.db2.gz RFASOTYJONIOQO-ZDUSSCGKSA-N 2 2 269.389 0.165 20 0 CCADLP Cc1cc(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)no1 ZINC000662281161 414705691 /nfs/dbraw/zinc/70/56/91/414705691.db2.gz JDABCINJSSYLCS-CYBMUJFWSA-N 2 2 276.344 0.870 20 0 CCADLP Cc1cc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)no1 ZINC000662281161 414705692 /nfs/dbraw/zinc/70/56/92/414705692.db2.gz JDABCINJSSYLCS-CYBMUJFWSA-N 2 2 276.344 0.870 20 0 CCADLP C[C@@H]1C[C@H](C)CN(C(=O)C[NH2+]C2(CO)CC[NH2+]CC2)C1 ZINC000662285586 414706036 /nfs/dbraw/zinc/70/60/36/414706036.db2.gz DYNMNQKOOVTVCJ-BETUJISGSA-N 2 2 283.416 0.195 20 0 CCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)Nc1ccccc1Cl ZINC000662285430 414706378 /nfs/dbraw/zinc/70/63/78/414706378.db2.gz AUICJVHWDLKNFC-UHFFFAOYSA-N 2 2 297.786 0.983 20 0 CCADLP [NH3+]CC[N@H+](CCC1CCCCCC1)C[C@H](O)CO ZINC000662287547 414706872 /nfs/dbraw/zinc/70/68/72/414706872.db2.gz CFWTYSATFRWJQI-AWEZNQCLSA-N 2 2 258.406 0.961 20 0 CCADLP [NH3+]CC[N@@H+](CCC1CCCCCC1)C[C@H](O)CO ZINC000662287547 414706873 /nfs/dbraw/zinc/70/68/73/414706873.db2.gz CFWTYSATFRWJQI-AWEZNQCLSA-N 2 2 258.406 0.961 20 0 CCADLP C[C@@H]1CCC[C@@H](CC[N@H+](CC[NH3+])C[C@@H](O)CO)C1 ZINC000662288280 414706978 /nfs/dbraw/zinc/70/69/78/414706978.db2.gz NMKOYLYSXMVYFG-HZSPNIEDSA-N 2 2 258.406 0.817 20 0 CCADLP C[C@@H]1CCC[C@@H](CC[N@@H+](CC[NH3+])C[C@@H](O)CO)C1 ZINC000662288280 414706979 /nfs/dbraw/zinc/70/69/79/414706979.db2.gz NMKOYLYSXMVYFG-HZSPNIEDSA-N 2 2 258.406 0.817 20 0 CCADLP Cc1ccccc1OCCC[N@H+](CC[NH3+])C[C@H](O)CO ZINC000662288847 414707179 /nfs/dbraw/zinc/70/71/79/414707179.db2.gz LWMRHKDNTPLLGB-AWEZNQCLSA-N 2 2 282.384 0.378 20 0 CCADLP Cc1ccccc1OCCC[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000662288847 414707180 /nfs/dbraw/zinc/70/71/80/414707180.db2.gz LWMRHKDNTPLLGB-AWEZNQCLSA-N 2 2 282.384 0.378 20 0 CCADLP [NH3+]CC[N@H+](CCCOc1ccc(F)cc1)C[C@H](O)CO ZINC000662288798 414707266 /nfs/dbraw/zinc/70/72/66/414707266.db2.gz KNHBJKDNYSOJQL-ZDUSSCGKSA-N 2 2 286.347 0.209 20 0 CCADLP [NH3+]CC[N@@H+](CCCOc1ccc(F)cc1)C[C@H](O)CO ZINC000662288798 414707267 /nfs/dbraw/zinc/70/72/67/414707267.db2.gz KNHBJKDNYSOJQL-ZDUSSCGKSA-N 2 2 286.347 0.209 20 0 CCADLP C[NH+](C)CCC[C@@H]1C[N@H+](CCc2c[nH]nn2)CCO1 ZINC000662324259 414709903 /nfs/dbraw/zinc/70/99/03/414709903.db2.gz SUECLULVCKLNKI-CYBMUJFWSA-N 2 2 267.377 0.390 20 0 CCADLP C[NH+](C)CCC[C@@H]1C[N@@H+](CCc2c[nH]nn2)CCO1 ZINC000662324259 414709904 /nfs/dbraw/zinc/70/99/04/414709904.db2.gz SUECLULVCKLNKI-CYBMUJFWSA-N 2 2 267.377 0.390 20 0 CCADLP C[NH+](C)CCC[C@@H]1C[N@H+](CCc2cn[nH]n2)CCO1 ZINC000662324259 414709905 /nfs/dbraw/zinc/70/99/05/414709905.db2.gz SUECLULVCKLNKI-CYBMUJFWSA-N 2 2 267.377 0.390 20 0 CCADLP C[NH+](C)CCC[C@@H]1C[N@@H+](CCc2cn[nH]n2)CCO1 ZINC000662324259 414709906 /nfs/dbraw/zinc/70/99/06/414709906.db2.gz SUECLULVCKLNKI-CYBMUJFWSA-N 2 2 267.377 0.390 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)CC1 ZINC000662137461 414692132 /nfs/dbraw/zinc/69/21/32/414692132.db2.gz UEVINFMVCRDZHJ-IJEWVQPXSA-N 2 2 297.443 0.489 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@@](C)(CO)C2)CC1 ZINC000662137461 414692133 /nfs/dbraw/zinc/69/21/33/414692133.db2.gz UEVINFMVCRDZHJ-IJEWVQPXSA-N 2 2 297.443 0.489 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CCCC2(CCOCC2)C1 ZINC000662255549 414700718 /nfs/dbraw/zinc/70/07/18/414700718.db2.gz QYFFRNHKPOBPPH-ZDUSSCGKSA-N 2 2 254.374 0.867 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CCCC2(CCOCC2)C1 ZINC000662255549 414700719 /nfs/dbraw/zinc/70/07/19/414700719.db2.gz QYFFRNHKPOBPPH-ZDUSSCGKSA-N 2 2 254.374 0.867 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000662756148 414765595 /nfs/dbraw/zinc/76/55/95/414765595.db2.gz HHVWXTXTZOLZHA-ZYHUDNBSSA-N 2 2 280.372 0.693 20 0 CCADLP Cn1cc[nH+]c1[C@H]1N(C(=O)CCOC2C[NH2+]C2)CC1(C)C ZINC000662755263 414766736 /nfs/dbraw/zinc/76/67/36/414766736.db2.gz DCHLLBJMVLJOEM-CYBMUJFWSA-N 2 2 292.383 0.708 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000662377304 414713017 /nfs/dbraw/zinc/71/30/17/414713017.db2.gz VUPURUGJTMTDHH-CYBMUJFWSA-N 2 2 292.383 0.532 20 0 CCADLP CC(C)C[C@H](C[NH3+])CC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000662444607 414719231 /nfs/dbraw/zinc/71/92/31/414719231.db2.gz JMCVGSBAURSIPG-KBPBESRZSA-N 2 2 285.432 0.834 20 0 CCADLP CC(C)C[C@H](C[NH3+])CC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000662444607 414719232 /nfs/dbraw/zinc/71/92/32/414719232.db2.gz JMCVGSBAURSIPG-KBPBESRZSA-N 2 2 285.432 0.834 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000662449067 414719489 /nfs/dbraw/zinc/71/94/89/414719489.db2.gz UNINFXCKCBYMLA-ZDUSSCGKSA-N 2 2 279.388 0.062 20 0 CCADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N(C)Cc2c[nH+]c[nH]2)C1(C)C ZINC000662586580 414730714 /nfs/dbraw/zinc/73/07/14/414730714.db2.gz WKEIFZQAGMUBOD-BXUZGUMPSA-N 2 2 280.372 0.901 20 0 CCADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N(C)Cc2c[nH]c[nH+]2)C1(C)C ZINC000662586580 414730715 /nfs/dbraw/zinc/73/07/15/414730715.db2.gz WKEIFZQAGMUBOD-BXUZGUMPSA-N 2 2 280.372 0.901 20 0 CCADLP CC1(C(=O)NCc2ccc[nH+]c2N2CCCC2)C[NH2+]C1 ZINC000662623699 414734250 /nfs/dbraw/zinc/73/42/50/414734250.db2.gz NIEIXZUSVLIOLV-UHFFFAOYSA-N 2 2 274.368 0.908 20 0 CCADLP C[C@@H]([NH3+])CCC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000662630431 414735101 /nfs/dbraw/zinc/73/51/01/414735101.db2.gz FJEFDAJNJFLUEK-GFCCVEGCSA-N 3 2 258.410 0.114 20 0 CCADLP C[C@@H]([NH3+])CCC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000662630431 414735102 /nfs/dbraw/zinc/73/51/02/414735102.db2.gz FJEFDAJNJFLUEK-GFCCVEGCSA-N 3 2 258.410 0.114 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]([NH3+])CC(F)F)[C@H](C)CO1 ZINC000662633395 414735272 /nfs/dbraw/zinc/73/52/72/414735272.db2.gz KRSDGGPKOFNYTR-BBBLOLIVSA-N 2 2 279.331 0.194 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]([NH3+])CC(F)F)[C@H](C)CO1 ZINC000662633395 414735273 /nfs/dbraw/zinc/73/52/73/414735273.db2.gz KRSDGGPKOFNYTR-BBBLOLIVSA-N 2 2 279.331 0.194 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1cccc(N)c1 ZINC000662633352 414735377 /nfs/dbraw/zinc/73/53/77/414735377.db2.gz ZNUDPOWJSCCWOW-UHFFFAOYSA-N 2 2 292.427 0.811 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1cccc(N)c1 ZINC000662633352 414735378 /nfs/dbraw/zinc/73/53/78/414735378.db2.gz ZNUDPOWJSCCWOW-UHFFFAOYSA-N 2 2 292.427 0.811 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])[C@@H](C)CO1 ZINC000662634308 414735776 /nfs/dbraw/zinc/73/57/76/414735776.db2.gz RBIWRHPCSRYVLI-RVMXOQNASA-N 2 2 269.389 0.339 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])[C@@H](C)CO1 ZINC000662634308 414735777 /nfs/dbraw/zinc/73/57/77/414735777.db2.gz RBIWRHPCSRYVLI-RVMXOQNASA-N 2 2 269.389 0.339 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C2([NH3+])CCC2)[C@@H](C)CO1 ZINC000662636174 414736170 /nfs/dbraw/zinc/73/61/70/414736170.db2.gz YNTUCFHXQSEDQY-WDEREUQCSA-N 2 2 255.362 0.093 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2([NH3+])CCC2)[C@@H](C)CO1 ZINC000662636174 414736171 /nfs/dbraw/zinc/73/61/71/414736171.db2.gz YNTUCFHXQSEDQY-WDEREUQCSA-N 2 2 255.362 0.093 20 0 CCADLP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCCCCNc1cccc[nH+]1 ZINC000662710564 414745018 /nfs/dbraw/zinc/74/50/18/414745018.db2.gz HIUXZWWIYOQQHB-STQMWFEESA-N 2 2 292.383 0.754 20 0 CCADLP [NH3+]C[C@H]1OCC[C@H]1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000662734355 414748287 /nfs/dbraw/zinc/74/82/87/414748287.db2.gz FUNYETJVQSCSPY-GHMZBOCLSA-N 2 2 260.297 0.637 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CC3([NH3+])CC3)C2)CC1 ZINC000662736319 414749524 /nfs/dbraw/zinc/74/95/24/414749524.db2.gz QPOZVNMUZYSVEJ-GFCCVEGCSA-N 3 2 280.416 0.153 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CC3([NH3+])CC3)C2)CC1 ZINC000662736319 414749528 /nfs/dbraw/zinc/74/95/28/414749528.db2.gz QPOZVNMUZYSVEJ-GFCCVEGCSA-N 3 2 280.416 0.153 20 0 CCADLP CC[C@]1(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CCC[NH2+]1 ZINC000662870549 414854505 /nfs/dbraw/zinc/85/45/05/414854505.db2.gz HPXWLTLYYCSOBW-DZGCQCFKSA-N 2 2 281.400 0.452 20 0 CCADLP CC[C@@]1(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CCC[NH2+]1 ZINC000662870554 414856503 /nfs/dbraw/zinc/85/65/03/414856503.db2.gz HPXWLTLYYCSOBW-ZFWWWQNUSA-N 2 2 281.400 0.452 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000662967334 414922857 /nfs/dbraw/zinc/92/28/57/414922857.db2.gz HPFZXCDVGPGYQY-AAEUAGOBSA-N 2 2 269.389 0.354 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000662967334 414922860 /nfs/dbraw/zinc/92/28/60/414922860.db2.gz HPFZXCDVGPGYQY-AAEUAGOBSA-N 2 2 269.389 0.354 20 0 CCADLP CN(C(=O)C[NH2+]C1CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662901046 414880647 /nfs/dbraw/zinc/88/06/47/414880647.db2.gz SFCPKQAQEREIDI-HNNXBMFYSA-N 3 2 294.443 0.365 20 0 CCADLP CN(C(=O)C[NH2+]C1CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662901046 414880651 /nfs/dbraw/zinc/88/06/51/414880651.db2.gz SFCPKQAQEREIDI-HNNXBMFYSA-N 3 2 294.443 0.365 20 0 CCADLP C[NH2+][C@@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900163 414881416 /nfs/dbraw/zinc/88/14/16/414881416.db2.gz JOONHLKAOUYUPA-GXTWGEPZSA-N 3 2 282.432 0.221 20 0 CCADLP C[NH2+][C@@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900163 414881417 /nfs/dbraw/zinc/88/14/17/414881417.db2.gz JOONHLKAOUYUPA-GXTWGEPZSA-N 3 2 282.432 0.221 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000664895959 415486223 /nfs/dbraw/zinc/48/62/23/415486223.db2.gz KIRIWZMRYXDSIV-UWVGGRQHSA-N 2 2 253.350 0.730 20 0 CCADLP C[C@@H](CCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1)[NH+](C)C ZINC000664713933 415453336 /nfs/dbraw/zinc/45/33/36/415453336.db2.gz CYRDVRDIPWTFSF-NWDGAFQWSA-N 2 2 279.388 0.837 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCO[C@H]1CC1(F)F ZINC000665244333 415575375 /nfs/dbraw/zinc/57/53/75/415575375.db2.gz KZPFYNUBKGEYIO-MXWKQRLJSA-N 2 2 264.316 0.767 20 0 CCADLP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1nnnn1-c1ccccc1 ZINC000665236202 415571742 /nfs/dbraw/zinc/57/17/42/415571742.db2.gz JFEBMKRENCVKMK-MNOVXSKESA-N 2 2 260.345 0.878 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000071147248 176043748 /nfs/dbraw/zinc/04/37/48/176043748.db2.gz UJGAFYOMLJSZDU-SNVBAGLBSA-N 2 2 278.381 0.797 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000071147248 176043749 /nfs/dbraw/zinc/04/37/49/176043749.db2.gz UJGAFYOMLJSZDU-SNVBAGLBSA-N 2 2 278.381 0.797 20 0 CCADLP C[NH+]1CCC([NH2+]CC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000020200273 544418709 /nfs/dbraw/zinc/41/87/09/544418709.db2.gz YIOUKHNPCHJNTK-UHFFFAOYSA-N 3 2 268.449 0.696 20 0 CCADLP C[C@H]([NH2+]CC[NH+](C)C)c1cccc(-n2cnnn2)c1 ZINC000019261743 544418949 /nfs/dbraw/zinc/41/89/49/544418949.db2.gz LEUOMVLAYKGLQN-NSHDSACASA-N 2 2 260.345 0.875 20 0 CCADLP CC(C)[NH2+]CC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000037800373 544423755 /nfs/dbraw/zinc/42/37/55/544423755.db2.gz ZQZPTBBMWMYCIF-UHFFFAOYSA-N 2 2 276.384 0.724 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)CCC(C)(C)[NH3+] ZINC000070086819 544448690 /nfs/dbraw/zinc/44/86/90/544448690.db2.gz MBCQJVPKJXDNJT-NSHDSACASA-N 2 2 257.378 0.341 20 0 CCADLP [NH3+]CCOCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000093231339 544540500 /nfs/dbraw/zinc/54/05/00/544540500.db2.gz VGUIIRRMRFZVLD-UHFFFAOYSA-N 2 2 283.397 0.368 20 0 CCADLP NS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)o1 ZINC000088539174 544508963 /nfs/dbraw/zinc/50/89/63/544508963.db2.gz YIPOQIZGOBQKKC-UHFFFAOYSA-N 2 2 299.396 0.643 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@](C)(CO)c2ccccc2)CC1 ZINC000128165347 544609445 /nfs/dbraw/zinc/60/94/45/544609445.db2.gz UDOPOFHKXHPHIO-MRXNPFEDSA-N 2 2 291.395 0.258 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)CN(C)Cc2[nH+]ccn2C)C[C@H](C)O1 ZINC000153376285 544663492 /nfs/dbraw/zinc/66/34/92/544663492.db2.gz ZPYNNUWWJSYUGT-HZSPNIEDSA-N 2 2 296.415 0.322 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)CN(C)Cc2[nH+]ccn2C)C[C@H](C)O1 ZINC000153376285 544663494 /nfs/dbraw/zinc/66/34/94/544663494.db2.gz ZPYNNUWWJSYUGT-HZSPNIEDSA-N 2 2 296.415 0.322 20 0 CCADLP CO[C@H](C[NH3+])C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000227376373 544834581 /nfs/dbraw/zinc/83/45/81/544834581.db2.gz UCIUFOVYOAUFIQ-CHWSQXEVSA-N 2 2 288.351 0.599 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC[N@@H+]1C ZINC000222640664 544823100 /nfs/dbraw/zinc/82/31/00/544823100.db2.gz PWACJSPUVIKVPI-MGPQQGTHSA-N 3 2 255.406 0.515 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC[N@H+]1C ZINC000222640664 544823105 /nfs/dbraw/zinc/82/31/05/544823105.db2.gz PWACJSPUVIKVPI-MGPQQGTHSA-N 3 2 255.406 0.515 20 0 CCADLP CC[N@@H+](CC(=O)N(C)C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000227800146 544837358 /nfs/dbraw/zinc/83/73/58/544837358.db2.gz NBSNEGCZTTTWRF-GJZGRUSLSA-N 2 2 293.411 0.327 20 0 CCADLP CC[N@H+](CC(=O)N(C)C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000227800146 544837362 /nfs/dbraw/zinc/83/73/62/544837362.db2.gz NBSNEGCZTTTWRF-GJZGRUSLSA-N 2 2 293.411 0.327 20 0 CCADLP COC[C@@](C)([NH3+])CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000488386873 420307107 /nfs/dbraw/zinc/30/71/07/420307107.db2.gz OSNSRUJLQZXOFY-NSHDSACASA-N 2 2 254.338 0.022 20 0 CCADLP Cc1cc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)nn1C ZINC000257717125 544934643 /nfs/dbraw/zinc/93/46/43/544934643.db2.gz PECNWRONQPMIEZ-CQSZACIVSA-N 2 2 263.389 0.208 20 0 CCADLP CC1CC[NH+](CCNC(=O)NCc2c[nH+]cn2C)CC1 ZINC000290808945 544970470 /nfs/dbraw/zinc/97/04/70/544970470.db2.gz ZMILJUIRLBCHDK-UHFFFAOYSA-N 2 2 279.388 0.951 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000353630435 545071556 /nfs/dbraw/zinc/07/15/56/545071556.db2.gz LJCLFDKCEXVTLC-UHFFFAOYSA-N 2 2 282.307 0.984 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000353630435 545071557 /nfs/dbraw/zinc/07/15/57/545071557.db2.gz LJCLFDKCEXVTLC-UHFFFAOYSA-N 2 2 282.307 0.984 20 0 CCADLP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000527033997 269801008 /nfs/dbraw/zinc/80/10/08/269801008.db2.gz YOYNDPOMOLLFQM-JSGCOSHPSA-N 2 2 278.400 0.844 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000528682527 269846666 /nfs/dbraw/zinc/84/66/66/269846666.db2.gz IUCLIDZWXOWFLL-STQMWFEESA-N 2 2 271.405 0.240 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000528682527 269846667 /nfs/dbraw/zinc/84/66/67/269846667.db2.gz IUCLIDZWXOWFLL-STQMWFEESA-N 2 2 271.405 0.240 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000528682527 269846668 /nfs/dbraw/zinc/84/66/68/269846668.db2.gz IUCLIDZWXOWFLL-STQMWFEESA-N 2 2 271.405 0.240 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000528682527 269846669 /nfs/dbraw/zinc/84/66/69/269846669.db2.gz IUCLIDZWXOWFLL-STQMWFEESA-N 2 2 271.405 0.240 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCC2(O)CCC2)C[C@@H](C)O1 ZINC000521032249 262221635 /nfs/dbraw/zinc/22/16/35/262221635.db2.gz AFPQYYWCPRSYGD-MGPQQGTHSA-N 2 2 286.416 0.351 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)NCCCn1cc[nH+]c1 ZINC000519751179 265574090 /nfs/dbraw/zinc/57/40/90/265574090.db2.gz BTBMWNCFMLIYGB-UHFFFAOYSA-N 2 2 267.377 0.961 20 0 CCADLP CCCC[C@@H]([NH3+])C(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000423882335 275982279 /nfs/dbraw/zinc/98/22/79/275982279.db2.gz WZHDSTJXXDHLEL-OLZOCXBDSA-N 2 2 293.415 0.753 20 0 CCADLP CCC[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976844 276271042 /nfs/dbraw/zinc/27/10/42/276271042.db2.gz GXGQFLZDKKTNLK-VXGBXAGGSA-N 2 2 255.362 0.047 20 0 CCADLP COC(=O)N1CCC([NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000495990950 277071239 /nfs/dbraw/zinc/07/12/39/277071239.db2.gz RKRUZBOMZRPDAS-ZYHUDNBSSA-N 2 2 255.362 0.757 20 0 CCADLP COC(=O)N1CCC([NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000495990950 277071241 /nfs/dbraw/zinc/07/12/41/277071241.db2.gz RKRUZBOMZRPDAS-ZYHUDNBSSA-N 2 2 255.362 0.757 20 0 CCADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000374370033 277119212 /nfs/dbraw/zinc/11/92/12/277119212.db2.gz ZXIPAEGWTHSUKL-HUUCEWRRSA-N 2 2 289.379 0.620 20 0 CCADLP C[NH+]1Cc2ccccc2[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000374370033 277119213 /nfs/dbraw/zinc/11/92/13/277119213.db2.gz ZXIPAEGWTHSUKL-HUUCEWRRSA-N 2 2 289.379 0.620 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)C1 ZINC000374370033 277119214 /nfs/dbraw/zinc/11/92/14/277119214.db2.gz ZXIPAEGWTHSUKL-HUUCEWRRSA-N 2 2 289.379 0.620 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)C1 ZINC000374370033 277119215 /nfs/dbraw/zinc/11/92/15/277119215.db2.gz ZXIPAEGWTHSUKL-HUUCEWRRSA-N 2 2 289.379 0.620 20 0 CCADLP CC(C)[C@H](O)CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422776565 277923368 /nfs/dbraw/zinc/92/33/68/277923368.db2.gz CZSWGZOLRKZBTG-MCIONIFRSA-N 2 2 256.390 0.750 20 0 CCADLP C[C@@H](C(=O)N1CCC[C@H]1C[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000348881387 278191267 /nfs/dbraw/zinc/19/12/67/278191267.db2.gz WWEVBWLCTOSFFI-KBPBESRZSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@H]([NH2+][C@H]1CC(=O)N2CCCC[C@@H]12)[C@@H]1CCC[NH2+]1 ZINC000423106470 278280102 /nfs/dbraw/zinc/28/01/02/278280102.db2.gz CYJMYADBYRPHCT-CYDGBPFRSA-N 2 2 251.374 0.870 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261874984 278364698 /nfs/dbraw/zinc/36/46/98/278364698.db2.gz ZMFSBOKHKBOPAY-WDEREUQCSA-N 2 2 282.388 0.295 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261874984 278364700 /nfs/dbraw/zinc/36/47/00/278364700.db2.gz ZMFSBOKHKBOPAY-WDEREUQCSA-N 2 2 282.388 0.295 20 0 CCADLP CC1CC[NH+](CC(=O)N2CC[NH2+]C[C@](C)(F)C2)CC1 ZINC000335007342 278538154 /nfs/dbraw/zinc/53/81/54/278538154.db2.gz BJZASWPNAVVPOA-AWEZNQCLSA-N 2 2 271.380 0.878 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000222641488 288076384 /nfs/dbraw/zinc/07/63/84/288076384.db2.gz YVTMNOOLVVFGLW-MCIONIFRSA-N 3 2 255.406 0.373 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000222641488 288076386 /nfs/dbraw/zinc/07/63/86/288076386.db2.gz YVTMNOOLVVFGLW-MCIONIFRSA-N 3 2 255.406 0.373 20 0 CCADLP CCN(C)C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000335666679 279018102 /nfs/dbraw/zinc/01/81/02/279018102.db2.gz KIMNEMYNGHOBJJ-AWEZNQCLSA-N 2 2 253.390 0.882 20 0 CCADLP CCN(C)C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000335666679 279018104 /nfs/dbraw/zinc/01/81/04/279018104.db2.gz KIMNEMYNGHOBJJ-AWEZNQCLSA-N 2 2 253.390 0.882 20 0 CCADLP CCN(C)C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000335666679 279018107 /nfs/dbraw/zinc/01/81/07/279018107.db2.gz KIMNEMYNGHOBJJ-AWEZNQCLSA-N 2 2 253.390 0.882 20 0 CCADLP CCN(C)C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000335666679 279018108 /nfs/dbraw/zinc/01/81/08/279018108.db2.gz KIMNEMYNGHOBJJ-AWEZNQCLSA-N 2 2 253.390 0.882 20 0 CCADLP CC(C)C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000346536542 279160972 /nfs/dbraw/zinc/16/09/72/279160972.db2.gz JBNURQRNWVBXQG-HUUCEWRRSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+]1CCOCC1 ZINC000346536542 279160975 /nfs/dbraw/zinc/16/09/75/279160975.db2.gz JBNURQRNWVBXQG-HUUCEWRRSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000353649123 279176308 /nfs/dbraw/zinc/17/63/08/279176308.db2.gz WAPKUJKLKDCCFG-ZDUSSCGKSA-N 2 2 293.415 0.438 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCC1(O)CCOCC1 ZINC000353863700 288123223 /nfs/dbraw/zinc/12/32/23/288123223.db2.gz HAGJRVYXSADOBE-OCCSQVGLSA-N 2 2 268.401 0.990 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCC1(O)CCOCC1 ZINC000353863700 288123225 /nfs/dbraw/zinc/12/32/25/288123225.db2.gz HAGJRVYXSADOBE-OCCSQVGLSA-N 2 2 268.401 0.990 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000426779581 279382487 /nfs/dbraw/zinc/38/24/87/279382487.db2.gz JHKFNQOHJTVBSY-GXTWGEPZSA-N 2 2 295.431 0.868 20 0 CCADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000426779581 279382488 /nfs/dbraw/zinc/38/24/88/279382488.db2.gz JHKFNQOHJTVBSY-GXTWGEPZSA-N 2 2 295.431 0.868 20 0 CCADLP O=C(NCC[NH+]1CCOCC1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000516260267 279842436 /nfs/dbraw/zinc/84/24/36/279842436.db2.gz SOSOJOOJARJMMY-UONOGXRCSA-N 2 2 296.415 0.006 20 0 CCADLP C[C@@H]1C[NH+](CCOCC[N@@H+]2CCO[C@H](C)C2)CCO1 ZINC000178592753 288180295 /nfs/dbraw/zinc/18/02/95/288180295.db2.gz ZESXWPZNZHLOCJ-ZIAGYGMSSA-N 2 2 272.389 0.444 20 0 CCADLP C[C@@H]1C[NH+](CCOCC[N@H+]2CCO[C@H](C)C2)CCO1 ZINC000178592753 288180297 /nfs/dbraw/zinc/18/02/97/288180297.db2.gz ZESXWPZNZHLOCJ-ZIAGYGMSSA-N 2 2 272.389 0.444 20 0 CCADLP CCSCCCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000514590750 280035408 /nfs/dbraw/zinc/03/54/08/280035408.db2.gz DHDBFADLTRTXPC-LLVKDONJSA-N 2 2 274.434 0.414 20 0 CCADLP CCSCCCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000514590750 280035413 /nfs/dbraw/zinc/03/54/13/280035413.db2.gz DHDBFADLTRTXPC-LLVKDONJSA-N 2 2 274.434 0.414 20 0 CCADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000262368379 280059031 /nfs/dbraw/zinc/05/90/31/280059031.db2.gz VXLOJQHTKKVWEY-PWSUYJOCSA-N 2 2 278.356 0.141 20 0 CCADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000263041444 280076853 /nfs/dbraw/zinc/07/68/53/280076853.db2.gz SWTCOKGPLUKPGW-ZJUUUORDSA-N 2 2 259.300 0.290 20 0 CCADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000263041444 280076858 /nfs/dbraw/zinc/07/68/58/280076858.db2.gz SWTCOKGPLUKPGW-ZJUUUORDSA-N 2 2 259.300 0.290 20 0 CCADLP CC(C)[C@H](C(=O)N1CC[NH+](C)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000341752019 280150263 /nfs/dbraw/zinc/15/02/63/280150263.db2.gz XGIIBNWMKROZJF-RBSFLKMASA-N 2 2 297.443 0.894 20 0 CCADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000429602161 280280665 /nfs/dbraw/zinc/28/06/65/280280665.db2.gz OEXDBAWMWQIFMW-CHWSQXEVSA-N 2 2 271.405 0.539 20 0 CCADLP C[C@@H]1COCCN1CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000191511455 288345668 /nfs/dbraw/zinc/34/56/68/288345668.db2.gz QZGFIXLDVQXMEQ-CVEARBPZSA-N 2 2 297.443 0.361 20 0 CCADLP C[C@@H]1COCCN1CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000191511455 288345669 /nfs/dbraw/zinc/34/56/69/288345669.db2.gz QZGFIXLDVQXMEQ-CVEARBPZSA-N 2 2 297.443 0.361 20 0 CCADLP CN(C)C(=O)N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000335264947 281954814 /nfs/dbraw/zinc/95/48/14/281954814.db2.gz SLPSPJWWOYZTJR-GFCCVEGCSA-N 2 2 254.378 0.285 20 0 CCADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000357659004 282010803 /nfs/dbraw/zinc/01/08/03/282010803.db2.gz OSLKPDOZEQDBHU-LBPRGKRZSA-N 2 2 298.431 0.091 20 0 CCADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000357659004 282010805 /nfs/dbraw/zinc/01/08/05/282010805.db2.gz OSLKPDOZEQDBHU-LBPRGKRZSA-N 2 2 298.431 0.091 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2[C@@H]3CCCO[C@H]23)CC1 ZINC000356605010 282051320 /nfs/dbraw/zinc/05/13/20/282051320.db2.gz FRPGHSNUPVPDSI-ZNMIVQPWSA-N 2 2 295.427 0.554 20 0 CCADLP C[NH+](C)C/C=C\C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000492991798 289040472 /nfs/dbraw/zinc/04/04/72/289040472.db2.gz RBFMFXJXWCJUBM-LGRKWKCASA-N 2 2 267.373 0.084 20 0 CCADLP C[NH+](C)C/C=C\C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000492991798 289040475 /nfs/dbraw/zinc/04/04/75/289040475.db2.gz RBFMFXJXWCJUBM-LGRKWKCASA-N 2 2 267.373 0.084 20 0 CCADLP C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000357236791 289256183 /nfs/dbraw/zinc/25/61/83/289256183.db2.gz UOYWJBJHEURZQP-KFWWJZLASA-N 2 2 296.459 0.563 20 0 CCADLP C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000357236791 289256184 /nfs/dbraw/zinc/25/61/84/289256184.db2.gz UOYWJBJHEURZQP-KFWWJZLASA-N 2 2 296.459 0.563 20 0 CCADLP C[C@H](C(=O)N1CCC([NH+]2CCCC2)CC1)[NH+]1CCOCC1 ZINC000339813698 289261840 /nfs/dbraw/zinc/26/18/40/289261840.db2.gz POZZXWDPZCYQLX-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)C1([NH+]2CCOCC2)CCC1)C1CC1 ZINC000360446518 289276283 /nfs/dbraw/zinc/27/62/83/289276283.db2.gz PLCGDIAVOCZKTD-AWEZNQCLSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246920047 289337455 /nfs/dbraw/zinc/33/74/55/289337455.db2.gz QAJAPCROMGQPTN-KGLIPLIRSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246920047 289337456 /nfs/dbraw/zinc/33/74/56/289337456.db2.gz QAJAPCROMGQPTN-KGLIPLIRSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H](C(=O)NCC[N@H+]1CC=CCC1)[NH+]1CCSCC1 ZINC000355388621 289352630 /nfs/dbraw/zinc/35/26/30/289352630.db2.gz BPWHVHADJGBWKM-CYBMUJFWSA-N 2 2 283.441 0.802 20 0 CCADLP C[C@H](C(=O)NCC[N@@H+]1CC=CCC1)[NH+]1CCSCC1 ZINC000355388621 289352632 /nfs/dbraw/zinc/35/26/32/289352632.db2.gz BPWHVHADJGBWKM-CYBMUJFWSA-N 2 2 283.441 0.802 20 0 CCADLP C[C@H](C[NH+](C)C)[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000349037416 289520254 /nfs/dbraw/zinc/52/02/54/289520254.db2.gz RTYSFRZIVVKSBU-LLVKDONJSA-N 2 2 275.352 0.822 20 0 CCADLP COC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)C1CC1 ZINC000453262715 293151030 /nfs/dbraw/zinc/15/10/30/293151030.db2.gz KXAFOICDXQVQAD-KBPBESRZSA-N 2 2 256.390 0.848 20 0 CCADLP COC[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)C1CC1 ZINC000453262715 293151032 /nfs/dbraw/zinc/15/10/32/293151032.db2.gz KXAFOICDXQVQAD-KBPBESRZSA-N 2 2 256.390 0.848 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](SC)C1 ZINC000382939711 336099013 /nfs/dbraw/zinc/09/90/13/336099013.db2.gz MLQTWPHKTJGRJG-NWDGAFQWSA-N 2 2 262.419 0.363 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](SC)C1 ZINC000382939711 336099014 /nfs/dbraw/zinc/09/90/14/336099014.db2.gz MLQTWPHKTJGRJG-NWDGAFQWSA-N 2 2 262.419 0.363 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](SC)C1 ZINC000382939711 336099015 /nfs/dbraw/zinc/09/90/15/336099015.db2.gz MLQTWPHKTJGRJG-NWDGAFQWSA-N 2 2 262.419 0.363 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](SC)C1 ZINC000382939711 336099016 /nfs/dbraw/zinc/09/90/16/336099016.db2.gz MLQTWPHKTJGRJG-NWDGAFQWSA-N 2 2 262.419 0.363 20 0 CCADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)CO[C@@H](C)COC)C1 ZINC000389555060 545086955 /nfs/dbraw/zinc/08/69/55/545086955.db2.gz QYYIHICYQDVSOT-MELADBBJSA-N 2 2 274.405 0.473 20 0 CCADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CO[C@@H](C)COC)C1 ZINC000389555060 545086956 /nfs/dbraw/zinc/08/69/56/545086956.db2.gz QYYIHICYQDVSOT-MELADBBJSA-N 2 2 274.405 0.473 20 0 CCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428032626 298120269 /nfs/dbraw/zinc/12/02/69/298120269.db2.gz ONKIZRHEQPYXSJ-GRYCIOLGSA-N 2 2 296.415 0.683 20 0 CCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428032626 298120272 /nfs/dbraw/zinc/12/02/72/298120272.db2.gz ONKIZRHEQPYXSJ-GRYCIOLGSA-N 2 2 296.415 0.683 20 0 CCADLP C[C@H](C1CC1)N(C(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1)C1CC1 ZINC000518502079 298248944 /nfs/dbraw/zinc/24/89/44/298248944.db2.gz KFYBWCCKDKBHHZ-DOMZBBRYSA-N 2 2 295.427 0.826 20 0 CCADLP C[C@H](C1CC1)N(C(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1)C1CC1 ZINC000518502079 298248947 /nfs/dbraw/zinc/24/89/47/298248947.db2.gz KFYBWCCKDKBHHZ-DOMZBBRYSA-N 2 2 295.427 0.826 20 0 CCADLP C[C@H]1CN(C(=O)C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000152356367 300126939 /nfs/dbraw/zinc/12/69/39/300126939.db2.gz SFJQODVNNAVJGU-SOUVJXGZSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@H]1CN(C(=O)C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000152356367 300126940 /nfs/dbraw/zinc/12/69/40/300126940.db2.gz SFJQODVNNAVJGU-SOUVJXGZSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@H]1CN(C(=O)C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)C[C@H](C)O1 ZINC000152356367 300126941 /nfs/dbraw/zinc/12/69/41/300126941.db2.gz SFJQODVNNAVJGU-SOUVJXGZSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@H]1CN(C(=O)C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000152356367 300126942 /nfs/dbraw/zinc/12/69/42/300126942.db2.gz SFJQODVNNAVJGU-SOUVJXGZSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000426186689 300223544 /nfs/dbraw/zinc/22/35/44/300223544.db2.gz LJLRUWIVMNNQLD-SOUVJXGZSA-N 2 2 295.427 0.507 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000426186689 300223546 /nfs/dbraw/zinc/22/35/46/300223546.db2.gz LJLRUWIVMNNQLD-SOUVJXGZSA-N 2 2 295.427 0.507 20 0 CCADLP Cn1cc[nH+]c1CN(CC[NH3+])[C@H]1CC12CC[NH2+]CC2 ZINC000435694572 302987582 /nfs/dbraw/zinc/98/75/82/302987582.db2.gz MAAVCJGTLQICBF-LBPRGKRZSA-N 3 2 263.389 0.323 20 0 CCADLP OC[C@]1([C@@H]([NH2+]CCn2cc[nH+]c2)C2CC2)CCCO1 ZINC000339765659 304832439 /nfs/dbraw/zinc/83/24/39/304832439.db2.gz YGZDXBZLNPIVKC-KBPBESRZSA-N 2 2 265.357 0.793 20 0 CCADLP C[C@H](C[NH2+]C[C@@](C)(O)C(F)(F)F)C[NH+]1CCOCC1 ZINC000582057704 327824832 /nfs/dbraw/zinc/82/48/32/327824832.db2.gz BAWRLRQTZLMNQO-GHMZBOCLSA-N 2 2 284.322 0.858 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]CC1([S@](C)=O)CCC1)C1CC1 ZINC000393700060 329088880 /nfs/dbraw/zinc/08/88/80/329088880.db2.gz CGUIKUDQVRPPOM-SGTLLEGYSA-N 2 2 274.430 0.332 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]CC1([S@](C)=O)CCC1)C1CC1 ZINC000393700060 329088881 /nfs/dbraw/zinc/08/88/81/329088881.db2.gz CGUIKUDQVRPPOM-SGTLLEGYSA-N 2 2 274.430 0.332 20 0 CCADLP [NH3+]CCC1CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000583505285 328587389 /nfs/dbraw/zinc/58/73/89/328587389.db2.gz ZDTCZKMLWKSPRL-ZDUSSCGKSA-N 2 2 291.399 0.968 20 0 CCADLP CCOC(=O)CC[C@H](O)C[NH2+]CCc1cn(C)c[nH+]1 ZINC000313220890 327100867 /nfs/dbraw/zinc/10/08/67/327100867.db2.gz DVJSYCATHMJWBH-LBPRGKRZSA-N 2 2 269.345 0.256 20 0 CCADLP O=C(NC[C@@H]1CCC[NH2+]C1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000584290646 327222578 /nfs/dbraw/zinc/22/25/78/327222578.db2.gz VBPFXLINFINXLN-LLVKDONJSA-N 2 2 286.339 0.392 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000579587567 327392735 /nfs/dbraw/zinc/39/27/35/327392735.db2.gz AAHDUQUJDVAITB-KOLCDFICSA-N 2 2 268.386 0.743 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000579587567 327392736 /nfs/dbraw/zinc/39/27/36/327392736.db2.gz AAHDUQUJDVAITB-KOLCDFICSA-N 2 2 268.386 0.743 20 0 CCADLP CC1(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C[NH2+]C1 ZINC000572996528 327560703 /nfs/dbraw/zinc/56/07/03/327560703.db2.gz DDBFXCBIWSTKOY-UHFFFAOYSA-N 2 2 276.262 0.671 20 0 CCADLP Cc1csc(CCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000582544933 329104657 /nfs/dbraw/zinc/10/46/57/329104657.db2.gz DGQXEMLPPWMHMC-LLVKDONJSA-N 2 2 282.413 0.485 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](n2cc(C)cn2)C1 ZINC000582554637 329110867 /nfs/dbraw/zinc/11/08/67/329110867.db2.gz SWSZLQOBPGLDBT-KBPBESRZSA-N 2 2 266.389 0.751 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](n2cc(C)cn2)C1 ZINC000582554637 329110868 /nfs/dbraw/zinc/11/08/68/329110868.db2.gz SWSZLQOBPGLDBT-KBPBESRZSA-N 2 2 266.389 0.751 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000582554637 329110869 /nfs/dbraw/zinc/11/08/69/329110869.db2.gz SWSZLQOBPGLDBT-KBPBESRZSA-N 2 2 266.389 0.751 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000582554637 329110870 /nfs/dbraw/zinc/11/08/70/329110870.db2.gz SWSZLQOBPGLDBT-KBPBESRZSA-N 2 2 266.389 0.751 20 0 CCADLP c1cc2c(nc[nH+]c2NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)[nH]1 ZINC000582587359 329112757 /nfs/dbraw/zinc/11/27/57/329112757.db2.gz JTUDIGNYTFMGQZ-PHIMTYICSA-N 2 2 273.340 0.655 20 0 CCADLP c1cc2c(nc[nH+]c2NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)[nH]1 ZINC000582587359 329112759 /nfs/dbraw/zinc/11/27/59/329112759.db2.gz JTUDIGNYTFMGQZ-PHIMTYICSA-N 2 2 273.340 0.655 20 0 CCADLP C[NH2+][C@@H](C)C(=O)NCCCCNc1cccc[nH+]1 ZINC000582735926 329133921 /nfs/dbraw/zinc/13/39/21/329133921.db2.gz PNHLDMDPRCNDLO-NSHDSACASA-N 2 2 250.346 0.998 20 0 CCADLP CO[C@@H]1COCC[C@H]1C[NH2+]Cc1c[nH+]c(C)n1C ZINC000582975156 329297681 /nfs/dbraw/zinc/29/76/81/329297681.db2.gz DNYDBQZQYKXDTA-WCQYABFASA-N 2 2 253.346 0.870 20 0 CCADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)CCn1cc[nH+]c1 ZINC000583027680 329304364 /nfs/dbraw/zinc/30/43/64/329304364.db2.gz YZMBYUZBAPXFOH-KCXRBIIJSA-N 2 2 262.357 0.905 20 0 CCADLP CC[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C[C@@H](C)O1 ZINC000583092329 329314418 /nfs/dbraw/zinc/31/44/18/329314418.db2.gz LSFVVJIPMAVQGX-HZSPNIEDSA-N 2 2 274.405 0.425 20 0 CCADLP CC[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)CCOC)C[C@@H](C)O1 ZINC000583092329 329314419 /nfs/dbraw/zinc/31/44/19/329314419.db2.gz LSFVVJIPMAVQGX-HZSPNIEDSA-N 2 2 274.405 0.425 20 0 CCADLP CC[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C[C@@H](C)O1 ZINC000583092329 329314420 /nfs/dbraw/zinc/31/44/20/329314420.db2.gz LSFVVJIPMAVQGX-HZSPNIEDSA-N 2 2 274.405 0.425 20 0 CCADLP CCc1nc(CN2CC[NH+](CCC[NH3+])CC2)no1 ZINC000583207143 329365120 /nfs/dbraw/zinc/36/51/20/329365120.db2.gz NWSIGXVSUVCVHI-UHFFFAOYSA-N 2 2 253.350 0.098 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000583750295 329472938 /nfs/dbraw/zinc/47/29/38/329472938.db2.gz HGQSZGFZOOSVJW-QWRGUYRKSA-N 2 2 266.345 0.827 20 0 CCADLP O=C(NCCCCn1cc[nH+]c1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000584527592 329512831 /nfs/dbraw/zinc/51/28/31/329512831.db2.gz VNWYHYXVKCFHQG-OCCSQVGLSA-N 2 2 262.357 0.779 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(c2nc(C)no2)CC1 ZINC000574986882 330119053 /nfs/dbraw/zinc/11/90/53/330119053.db2.gz LOTHJZKTIZQUSE-ZDUSSCGKSA-N 2 2 282.388 0.870 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2nc(C)no2)CC1 ZINC000574986882 330119055 /nfs/dbraw/zinc/11/90/55/330119055.db2.gz LOTHJZKTIZQUSE-ZDUSSCGKSA-N 2 2 282.388 0.870 20 0 CCADLP CC1(C)CCC[NH2+][C@H]1C[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000580421626 330129073 /nfs/dbraw/zinc/12/90/73/330129073.db2.gz MUXOEBKCOYHNRF-RYUDHWBXSA-N 2 2 274.430 0.931 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000575869384 335126555 /nfs/dbraw/zinc/12/65/55/335126555.db2.gz WVWYPPHKTNIQSS-INIZCTEOSA-N 2 2 297.443 0.995 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000575869384 335126556 /nfs/dbraw/zinc/12/65/56/335126556.db2.gz WVWYPPHKTNIQSS-INIZCTEOSA-N 2 2 297.443 0.995 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000173642076 335137388 /nfs/dbraw/zinc/13/73/88/335137388.db2.gz XMVIQCGZNNUSFC-CQSZACIVSA-N 2 2 283.416 0.650 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000173642076 335137389 /nfs/dbraw/zinc/13/73/89/335137389.db2.gz XMVIQCGZNNUSFC-CQSZACIVSA-N 2 2 283.416 0.650 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCn2cc(Cl)cn2)[C@@H](C[NH3+])C1 ZINC000576038025 335144119 /nfs/dbraw/zinc/14/41/19/335144119.db2.gz QBFUFRVTWHJOHT-NSHDSACASA-N 2 2 285.779 0.028 20 0 CCADLP C[N@H+]1CCN(C(=O)CCn2cc(Cl)cn2)[C@@H](C[NH3+])C1 ZINC000576038025 335144120 /nfs/dbraw/zinc/14/41/20/335144120.db2.gz QBFUFRVTWHJOHT-NSHDSACASA-N 2 2 285.779 0.028 20 0 CCADLP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000576223245 335172948 /nfs/dbraw/zinc/17/29/48/335172948.db2.gz UEPMJEMYERMDIP-KOLCDFICSA-N 2 2 268.386 0.696 20 0 CCADLP Cc1nc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)sc1C ZINC000565828549 334600517 /nfs/dbraw/zinc/60/05/17/334600517.db2.gz VULWWJSKMBSJHZ-ZDUSSCGKSA-N 2 2 298.456 0.458 20 0 CCADLP CC(C)Cn1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cn1 ZINC000576479175 335209946 /nfs/dbraw/zinc/20/99/46/335209946.db2.gz BLXAEIHBNHAKSS-UONOGXRCSA-N 2 2 291.399 0.283 20 0 CCADLP CC(C)Cn1cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cn1 ZINC000576479175 335209948 /nfs/dbraw/zinc/20/99/48/335209948.db2.gz BLXAEIHBNHAKSS-UONOGXRCSA-N 2 2 291.399 0.283 20 0 CCADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000576626741 335227598 /nfs/dbraw/zinc/22/75/98/335227598.db2.gz JKEUJVBCDVCSIJ-KETMYFOLSA-N 3 2 279.428 0.859 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC2=CCCCC2)[C@@H](C[NH3+])C1 ZINC000576966223 335271211 /nfs/dbraw/zinc/27/12/11/335271211.db2.gz PRRFBWUCMSGLAK-ZDUSSCGKSA-N 2 2 266.389 0.771 20 0 CCADLP C[C@@H](CC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)n1cc[nH+]c1 ZINC000580655139 335313366 /nfs/dbraw/zinc/31/33/66/335313366.db2.gz LCSUBAUZKOLYOW-GRYCIOLGSA-N 2 2 250.346 0.948 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)Cn1cc[nH+]c1-c1ccncc1 ZINC000577191361 335320091 /nfs/dbraw/zinc/32/00/91/335320091.db2.gz IRVCQVNEVMRKOD-CQSZACIVSA-N 2 2 290.367 0.884 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)Cn1cc[nH+]c1-c1ccncc1 ZINC000577191361 335320092 /nfs/dbraw/zinc/32/00/92/335320092.db2.gz IRVCQVNEVMRKOD-CQSZACIVSA-N 2 2 290.367 0.884 20 0 CCADLP CC1(C)CN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)CC[NH2+]1 ZINC000577357300 335342218 /nfs/dbraw/zinc/34/22/18/335342218.db2.gz JHPZFIXUZGLXKP-LBPRGKRZSA-N 2 2 291.399 0.626 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000577727580 335393065 /nfs/dbraw/zinc/39/30/65/335393065.db2.gz SASKNPJUMPQAOC-LBPRGKRZSA-N 2 2 282.413 0.827 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]([NH3+])c2cscn2)C[C@H](C)[NH2+]1 ZINC000577840948 335409392 /nfs/dbraw/zinc/40/93/92/335409392.db2.gz RCFQTDNNRJZYJE-KHQFGBGNSA-N 2 2 254.359 0.352 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000577848278 335410859 /nfs/dbraw/zinc/41/08/59/335410859.db2.gz KMFFHWCPKFXQSL-NRPADANISA-N 2 2 254.359 0.400 20 0 CCADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000577875343 335415664 /nfs/dbraw/zinc/41/56/64/335415664.db2.gz YJOBPKMXYIBGOR-NXEZZACHSA-N 2 2 274.328 0.518 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N[C@@H](C)C[C@H](C)[NH3+])[NH+]1CCOCC1 ZINC000578320839 335607758 /nfs/dbraw/zinc/60/77/58/335607758.db2.gz FWTOETVYZWWFTM-ZDEQEGDKSA-N 2 2 286.420 0.521 20 0 CCADLP CCc1cnc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])s1 ZINC000581238684 336029433 /nfs/dbraw/zinc/02/94/33/336029433.db2.gz KUKCJHUPCJUWFI-SECBINFHSA-N 2 2 283.401 0.812 20 0 CCADLP CCc1cnc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])s1 ZINC000581238684 336029436 /nfs/dbraw/zinc/02/94/36/336029436.db2.gz KUKCJHUPCJUWFI-SECBINFHSA-N 2 2 283.401 0.812 20 0 CCADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000581486316 336087725 /nfs/dbraw/zinc/08/77/25/336087725.db2.gz FTQJEWFZJZEJEG-NEPJUHHUSA-N 2 2 277.372 0.052 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](SC)C1 ZINC000382939702 336099082 /nfs/dbraw/zinc/09/90/82/336099082.db2.gz MLQTWPHKTJGRJG-NEPJUHHUSA-N 2 2 262.419 0.363 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](SC)C1 ZINC000382939702 336099084 /nfs/dbraw/zinc/09/90/84/336099084.db2.gz MLQTWPHKTJGRJG-NEPJUHHUSA-N 2 2 262.419 0.363 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](SC)C1 ZINC000382939702 336099085 /nfs/dbraw/zinc/09/90/85/336099085.db2.gz MLQTWPHKTJGRJG-NEPJUHHUSA-N 2 2 262.419 0.363 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](SC)C1 ZINC000382939702 336099086 /nfs/dbraw/zinc/09/90/86/336099086.db2.gz MLQTWPHKTJGRJG-NEPJUHHUSA-N 2 2 262.419 0.363 20 0 CCADLP O=C1N=NCN1C1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000581674346 336126333 /nfs/dbraw/zinc/12/63/33/336126333.db2.gz ATSGOOACFGBBKL-UHFFFAOYSA-N 2 2 262.317 0.517 20 0 CCADLP C[N@H+](CC(=O)NC(=O)NC1CCCCC1)C1CC([NH3+])C1 ZINC000384736515 336130309 /nfs/dbraw/zinc/13/03/09/336130309.db2.gz KXVDBFRDVXMGHV-UHFFFAOYSA-N 2 2 282.388 0.566 20 0 CCADLP C[N@@H+](CC(=O)NC(=O)NC1CCCCC1)C1CC([NH3+])C1 ZINC000384736515 336130310 /nfs/dbraw/zinc/13/03/10/336130310.db2.gz KXVDBFRDVXMGHV-UHFFFAOYSA-N 2 2 282.388 0.566 20 0 CCADLP CCOC(=O)CC[C@H](O)C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000385668105 336153880 /nfs/dbraw/zinc/15/38/80/336153880.db2.gz LQLPHSKQIZFGIM-NEPJUHHUSA-N 2 2 269.345 0.565 20 0 CCADLP C[C@@H](O)CNc1cc(N(C)CC[NH+](C)C)nc[nH+]1 ZINC000298519874 533716861 /nfs/dbraw/zinc/71/68/61/533716861.db2.gz BUCAULIYSSMLKL-SNVBAGLBSA-N 2 2 253.350 0.267 20 0 CCADLP CC[N@@H+]1CCCN(C(=O)NCc2[nH+]ccn2C)CC1 ZINC000269113654 535515112 /nfs/dbraw/zinc/51/51/12/535515112.db2.gz QLSYLVDPZYURDL-UHFFFAOYSA-N 2 2 265.361 0.657 20 0 CCADLP CC[N@H+]1CCCN(C(=O)NCc2[nH+]ccn2C)CC1 ZINC000269113654 535515114 /nfs/dbraw/zinc/51/51/14/535515114.db2.gz QLSYLVDPZYURDL-UHFFFAOYSA-N 2 2 265.361 0.657 20 0 CCADLP C[C@H](CCC[NH3+])NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000417507803 533864609 /nfs/dbraw/zinc/86/46/09/533864609.db2.gz POYPCKUQUIMARA-GFCCVEGCSA-N 2 2 286.420 0.524 20 0 CCADLP C[C@H](CCC[NH3+])NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000417507803 533864614 /nfs/dbraw/zinc/86/46/14/533864614.db2.gz POYPCKUQUIMARA-GFCCVEGCSA-N 2 2 286.420 0.524 20 0 CCADLP Cc1ccc(C[N@@H+](CCO)CC(=O)N2CC[NH+](C)CC2)o1 ZINC000331179187 533896625 /nfs/dbraw/zinc/89/66/25/533896625.db2.gz RBKFBLOOPRKJRX-UHFFFAOYSA-N 2 2 295.383 0.156 20 0 CCADLP Cc1ccc(C[N@H+](CCO)CC(=O)N2CC[NH+](C)CC2)o1 ZINC000331179187 533896632 /nfs/dbraw/zinc/89/66/32/533896632.db2.gz RBKFBLOOPRKJRX-UHFFFAOYSA-N 2 2 295.383 0.156 20 0 CCADLP C[C@H]1C[NH+]=C(N2CCN(C(=O)/C=C\C[NH+](C)C)CC2)S1 ZINC000491924349 534004291 /nfs/dbraw/zinc/00/42/91/534004291.db2.gz IRMXXOLLISENOL-RXNFCKPNSA-N 2 2 296.440 0.740 20 0 CCADLP C[C@@]([NH3+])(C(=O)NCC[N@@H+]1CCCOCC1)c1ccccc1 ZINC000423818702 534259995 /nfs/dbraw/zinc/25/99/95/534259995.db2.gz DVEPWTXVLWDWMN-INIZCTEOSA-N 2 2 291.395 0.699 20 0 CCADLP C[C@@]([NH3+])(C(=O)NCC[N@H+]1CCCOCC1)c1ccccc1 ZINC000423818702 534259997 /nfs/dbraw/zinc/25/99/97/534259997.db2.gz DVEPWTXVLWDWMN-INIZCTEOSA-N 2 2 291.395 0.699 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529290125 518177742 /nfs/dbraw/zinc/17/77/42/518177742.db2.gz JPSXIKQXEPRVOS-NWDGAFQWSA-N 2 2 277.372 0.855 20 0 CCADLP C[C@H](NC(=O)NCC1([NH3+])CCC1)[C@H](C)[NH+]1CCOCC1 ZINC000417517422 518182935 /nfs/dbraw/zinc/18/29/35/518182935.db2.gz IXUMFWHTGYCYJU-RYUDHWBXSA-N 2 2 284.404 0.276 20 0 CCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000353436048 519684973 /nfs/dbraw/zinc/68/49/73/519684973.db2.gz UVPXWQWAMXCALA-LLVKDONJSA-N 2 2 266.345 0.477 20 0 CCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000353436048 519684977 /nfs/dbraw/zinc/68/49/77/519684977.db2.gz UVPXWQWAMXCALA-LLVKDONJSA-N 2 2 266.345 0.477 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC[C@H]1CCC[NH+]1CCCO ZINC000449387614 534452658 /nfs/dbraw/zinc/45/26/58/534452658.db2.gz MEJSIRMOUBXSGS-FVQBIDKESA-N 2 2 281.444 0.906 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC[C@H]1CCC[NH+]1CCCO ZINC000449387614 534452663 /nfs/dbraw/zinc/45/26/63/534452663.db2.gz MEJSIRMOUBXSGS-FVQBIDKESA-N 2 2 281.444 0.906 20 0 CCADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC[C@H]1CCC[N@@H+]1CCCO ZINC000449387614 534452667 /nfs/dbraw/zinc/45/26/67/534452667.db2.gz MEJSIRMOUBXSGS-FVQBIDKESA-N 2 2 281.444 0.906 20 0 CCADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC[C@H]1CCC[N@H+]1CCCO ZINC000449387614 534452672 /nfs/dbraw/zinc/45/26/72/534452672.db2.gz MEJSIRMOUBXSGS-FVQBIDKESA-N 2 2 281.444 0.906 20 0 CCADLP CCC[C@H]([NH3+])C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000182721786 521117655 /nfs/dbraw/zinc/11/76/55/521117655.db2.gz LZWGXPCDKRMOKY-RYUDHWBXSA-N 2 2 262.357 0.904 20 0 CCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000182397958 523263014 /nfs/dbraw/zinc/26/30/14/523263014.db2.gz JSIWQJZBYNFASY-YPMHNXCESA-N 2 2 285.388 0.066 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150836005 523357019 /nfs/dbraw/zinc/35/70/19/523357019.db2.gz DFWNBKJJZWMBCL-LSDHHAIUSA-N 2 2 297.443 0.945 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150836005 523357024 /nfs/dbraw/zinc/35/70/24/523357024.db2.gz DFWNBKJJZWMBCL-LSDHHAIUSA-N 2 2 297.443 0.945 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424190508 534715274 /nfs/dbraw/zinc/71/52/74/534715274.db2.gz MLXHBSDKFVMHEH-GARJFASQSA-N 2 2 275.343 0.865 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@]3(CCCOC3)C2)CC1 ZINC000357309319 523874146 /nfs/dbraw/zinc/87/41/46/523874146.db2.gz RBURAIJBNLUNQN-INIZCTEOSA-N 2 2 295.427 0.653 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@]3(CCCOC3)C2)CC1 ZINC000357309319 523874151 /nfs/dbraw/zinc/87/41/51/523874151.db2.gz RBURAIJBNLUNQN-INIZCTEOSA-N 2 2 295.427 0.653 20 0 CCADLP CO[C@H](C)C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000183792402 523881284 /nfs/dbraw/zinc/88/12/84/523881284.db2.gz BVNUBSAKBIYWFN-LLVKDONJSA-N 2 2 250.346 0.942 20 0 CCADLP C[C@@H](C(=O)NCCc1cn2c([nH+]1)CCCC2)[C@H](C)[NH3+] ZINC000365189118 524192310 /nfs/dbraw/zinc/19/23/10/524192310.db2.gz JRACCUBHEQRVNV-MNOVXSKESA-N 2 2 264.373 0.861 20 0 CCADLP C[C@H](CNC(=O)NCc1c[nH+]cn1C)[N@H+](C)C1CC1 ZINC000357952581 524420934 /nfs/dbraw/zinc/42/09/34/524420934.db2.gz FDSZACLZWYPOSX-SNVBAGLBSA-N 2 2 265.361 0.702 20 0 CCADLP C[C@H](CNC(=O)NCc1c[nH+]cn1C)[N@@H+](C)C1CC1 ZINC000357952581 524420940 /nfs/dbraw/zinc/42/09/40/524420940.db2.gz FDSZACLZWYPOSX-SNVBAGLBSA-N 2 2 265.361 0.702 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000340937925 524566289 /nfs/dbraw/zinc/56/62/89/524566289.db2.gz JTOVKWPXLIQOEL-RYUDHWBXSA-N 2 2 250.346 0.587 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000340937925 524566295 /nfs/dbraw/zinc/56/62/95/524566295.db2.gz JTOVKWPXLIQOEL-RYUDHWBXSA-N 2 2 250.346 0.587 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C[C@@H](C)O1 ZINC000366557039 524781731 /nfs/dbraw/zinc/78/17/31/524781731.db2.gz NWDSXILPTADXII-IIAWOOMASA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C[C@@H](C)O1 ZINC000366557039 524781741 /nfs/dbraw/zinc/78/17/41/524781741.db2.gz NWDSXILPTADXII-IIAWOOMASA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)C[C@@H](C)O1 ZINC000366557039 524781751 /nfs/dbraw/zinc/78/17/51/524781751.db2.gz NWDSXILPTADXII-IIAWOOMASA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)C[C@@H](C)O1 ZINC000366557039 524781757 /nfs/dbraw/zinc/78/17/57/524781757.db2.gz NWDSXILPTADXII-IIAWOOMASA-N 2 2 295.427 0.650 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000049154575 524786701 /nfs/dbraw/zinc/78/67/01/524786701.db2.gz IQCGDJHLZSTFNK-NEPJUHHUSA-N 2 2 265.361 0.665 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000049154575 524786711 /nfs/dbraw/zinc/78/67/11/524786711.db2.gz IQCGDJHLZSTFNK-NEPJUHHUSA-N 2 2 265.361 0.665 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NCc2c[nH+]cn2C)CC[N@@H+]1C ZINC000357967123 525256645 /nfs/dbraw/zinc/25/66/45/525256645.db2.gz BPMSDYLFBLEHMZ-MNOVXSKESA-N 2 2 265.361 0.702 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NCc2c[nH+]cn2C)CC[N@H+]1C ZINC000357967123 525256658 /nfs/dbraw/zinc/25/66/58/525256658.db2.gz BPMSDYLFBLEHMZ-MNOVXSKESA-N 2 2 265.361 0.702 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000349118297 534898567 /nfs/dbraw/zinc/89/85/67/534898567.db2.gz MTZZILMXHKDEJH-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000349118297 534898573 /nfs/dbraw/zinc/89/85/73/534898573.db2.gz MTZZILMXHKDEJH-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP C=Cn1cc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cn1 ZINC000449392896 526282571 /nfs/dbraw/zinc/28/25/71/526282571.db2.gz ABOYEXKXEFJZIU-CQSZACIVSA-N 2 2 264.373 0.920 20 0 CCADLP C=Cn1cc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cn1 ZINC000449392896 526282576 /nfs/dbraw/zinc/28/25/76/526282576.db2.gz ABOYEXKXEFJZIU-CQSZACIVSA-N 2 2 264.373 0.920 20 0 CCADLP C[NH+](C)C[C@H]1CCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000665710829 545104574 /nfs/dbraw/zinc/10/45/74/545104574.db2.gz BZCCSCWUXQSDAN-SNVBAGLBSA-N 2 2 263.345 0.669 20 0 CCADLP C[NH+](C)C[C@H]1CCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000665710829 545104575 /nfs/dbraw/zinc/10/45/75/545104575.db2.gz BZCCSCWUXQSDAN-SNVBAGLBSA-N 2 2 263.345 0.669 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000666342771 545120420 /nfs/dbraw/zinc/12/04/20/545120420.db2.gz QLDPRXFALCVHLR-GFCCVEGCSA-N 2 2 294.399 0.599 20 0 CCADLP COCC[N@@H+](C)CCCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000666342771 545120421 /nfs/dbraw/zinc/12/04/21/545120421.db2.gz QLDPRXFALCVHLR-GFCCVEGCSA-N 2 2 294.399 0.599 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000666342771 545120422 /nfs/dbraw/zinc/12/04/22/545120422.db2.gz QLDPRXFALCVHLR-GFCCVEGCSA-N 2 2 294.399 0.599 20 0 CCADLP COCC[N@@H+](C)CCCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000666342771 545120423 /nfs/dbraw/zinc/12/04/23/545120423.db2.gz QLDPRXFALCVHLR-GFCCVEGCSA-N 2 2 294.399 0.599 20 0 CCADLP Cn1cc(C[NH+]2CCN(C(=O)C3CC[NH2+]CC3)CC2)cn1 ZINC000353574452 527204008 /nfs/dbraw/zinc/20/40/08/527204008.db2.gz CEAPTIYNZWAZHB-UHFFFAOYSA-N 2 2 291.399 0.064 20 0 CCADLP C[C@@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)c1[nH+]ccn1C ZINC000667252077 545142389 /nfs/dbraw/zinc/14/23/89/545142389.db2.gz AELCPGQWFCPWNW-ZWNOBZJWSA-N 2 2 283.376 0.093 20 0 CCADLP COCC[NH+](CCOC)Cc1c[nH+]c2n1CCC2 ZINC000667472441 545147956 /nfs/dbraw/zinc/14/79/56/545147956.db2.gz IIGWLNOQNFZHEX-UHFFFAOYSA-N 2 2 253.346 0.924 20 0 CCADLP Cc1[nH+]cc(CN2CC[NH+](C[C@H](C)O)CC2)n1C ZINC000667595359 545150543 /nfs/dbraw/zinc/15/05/43/545150543.db2.gz CNXQTZDDFXYQFR-NSHDSACASA-N 2 2 252.362 0.227 20 0 CCADLP O[C@@H]1CCC[C@@H]1[NH+]1CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000667595866 545150631 /nfs/dbraw/zinc/15/06/31/545150631.db2.gz SJMRNQGSDQQDIY-LSDHHAIUSA-N 2 2 290.411 0.860 20 0 CCADLP c1[nH+]c2n(c1CN1CC[NH+](C[C@@H]3CCOC3)CC1)CCC2 ZINC000667683423 545153743 /nfs/dbraw/zinc/15/37/43/545153743.db2.gz PLVWAVALEHZMDY-AWEZNQCLSA-N 2 2 290.411 0.983 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1CC[NH+](C)CC1 ZINC000667831069 545157274 /nfs/dbraw/zinc/15/72/74/545157274.db2.gz KCJFYLSBQNCRBI-CHWSQXEVSA-N 2 2 276.384 0.982 20 0 CCADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1c[nH+]c2n1CCC2 ZINC000668241666 545169185 /nfs/dbraw/zinc/16/91/85/545169185.db2.gz MMCWCBQSJZGNGR-CHWSQXEVSA-N 2 2 278.400 0.716 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1Cc1c[nH+]c2n1CCC2 ZINC000668241666 545169186 /nfs/dbraw/zinc/16/91/86/545169186.db2.gz MMCWCBQSJZGNGR-CHWSQXEVSA-N 2 2 278.400 0.716 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)n1C ZINC000668544381 545181076 /nfs/dbraw/zinc/18/10/76/545181076.db2.gz JVMWBUFTMMWYTG-AAEUAGOBSA-N 2 2 291.399 0.587 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)n1C ZINC000668544381 545181077 /nfs/dbraw/zinc/18/10/77/545181077.db2.gz JVMWBUFTMMWYTG-AAEUAGOBSA-N 2 2 291.399 0.587 20 0 CCADLP OCC1(O)CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000668548188 545181427 /nfs/dbraw/zinc/18/14/27/545181427.db2.gz GCYZSORUJUPJIE-UHFFFAOYSA-N 2 2 261.325 0.654 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428040237 527751891 /nfs/dbraw/zinc/75/18/91/527751891.db2.gz VJPBKZNTANJGIK-GJZGRUSLSA-N 2 2 297.443 0.849 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428040237 527751894 /nfs/dbraw/zinc/75/18/94/527751894.db2.gz VJPBKZNTANJGIK-GJZGRUSLSA-N 2 2 297.443 0.849 20 0 CCADLP C[C@H](O)C1([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CC1 ZINC000668699069 545187839 /nfs/dbraw/zinc/18/78/39/545187839.db2.gz LOMABJDAESIJRV-AWEZNQCLSA-N 2 2 297.443 0.286 20 0 CCADLP C[C@H](O)C1([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CC1 ZINC000668699069 545187840 /nfs/dbraw/zinc/18/78/40/545187840.db2.gz LOMABJDAESIJRV-AWEZNQCLSA-N 2 2 297.443 0.286 20 0 CCADLP Cc1ccc([C@@H](C)NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])o1 ZINC000668709458 545188451 /nfs/dbraw/zinc/18/84/51/545188451.db2.gz RIKUYAZASCWGCA-NEPJUHHUSA-N 2 2 280.372 0.933 20 0 CCADLP CN(C(=O)c1ncc[nH]1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668616331 545183991 /nfs/dbraw/zinc/18/39/91/545183991.db2.gz BNEHHIXJJLQYST-CYBMUJFWSA-N 2 2 291.399 0.650 20 0 CCADLP CN(C(=O)c1ncc[nH]1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668616331 545183992 /nfs/dbraw/zinc/18/39/92/545183992.db2.gz BNEHHIXJJLQYST-CYBMUJFWSA-N 2 2 291.399 0.650 20 0 CCADLP Cc1[nH+]cc(CN2CCN(c3[nH+]ccn3C)CC2)n1C ZINC000668792180 545190980 /nfs/dbraw/zinc/19/09/80/545190980.db2.gz OMJUVIWYYDMYBJ-UHFFFAOYSA-N 2 2 274.372 0.784 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(O)CC[NH+](C)C2)[C@H](C)C1 ZINC000358223116 527882609 /nfs/dbraw/zinc/88/26/09/527882609.db2.gz ABJKHGMVYRTYAF-HZSPNIEDSA-N 3 2 255.406 0.373 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(O)CC[NH+](C)C2)[C@H](C)C1 ZINC000358223116 527882619 /nfs/dbraw/zinc/88/26/19/527882619.db2.gz ABJKHGMVYRTYAF-HZSPNIEDSA-N 3 2 255.406 0.373 20 0 CCADLP CC[NH+]1CC[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)[C@H](C)C1 ZINC000358223116 527882622 /nfs/dbraw/zinc/88/26/22/527882622.db2.gz ABJKHGMVYRTYAF-HZSPNIEDSA-N 3 2 255.406 0.373 20 0 CCADLP CC[NH+]1CC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)[C@H](C)C1 ZINC000358223116 527882625 /nfs/dbraw/zinc/88/26/25/527882625.db2.gz ABJKHGMVYRTYAF-HZSPNIEDSA-N 3 2 255.406 0.373 20 0 CCADLP CCN1C[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)CC1=O ZINC000449519874 527990424 /nfs/dbraw/zinc/99/04/24/527990424.db2.gz RBEFLULGJRKJMS-SNVBAGLBSA-N 2 2 282.413 0.915 20 0 CCADLP CCC[C@H](C)C(=O)NCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423131064 528015381 /nfs/dbraw/zinc/01/53/81/528015381.db2.gz NMLQLVWUXGCOLV-QEJZJMRPSA-N 2 2 297.443 0.895 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428031981 528047862 /nfs/dbraw/zinc/04/78/62/528047862.db2.gz MHYCMVSVFCTHJA-YNEHKIRRSA-N 2 2 296.415 0.541 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428031981 528047866 /nfs/dbraw/zinc/04/78/66/528047866.db2.gz MHYCMVSVFCTHJA-YNEHKIRRSA-N 2 2 296.415 0.541 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000669323314 545205427 /nfs/dbraw/zinc/20/54/27/545205427.db2.gz LZTJRXDMJVBROX-OLZOCXBDSA-N 2 2 284.404 0.148 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000669461659 545208897 /nfs/dbraw/zinc/20/88/97/545208897.db2.gz HWFJDEOERLKSAF-QWHCGFSZSA-N 2 2 284.404 0.148 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000669461659 545208898 /nfs/dbraw/zinc/20/88/98/545208898.db2.gz HWFJDEOERLKSAF-QWHCGFSZSA-N 2 2 284.404 0.148 20 0 CCADLP C[C@@H](NC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000669538179 545213486 /nfs/dbraw/zinc/21/34/86/545213486.db2.gz CDZJALCPKOKUCW-LPWJVIDDSA-N 2 2 284.404 0.097 20 0 CCADLP C[C@@H](NC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000669538179 545213487 /nfs/dbraw/zinc/21/34/87/545213487.db2.gz CDZJALCPKOKUCW-LPWJVIDDSA-N 2 2 284.404 0.097 20 0 CCADLP O=C(NC[C@H]1CCCC[NH2+]1)NCC1([NH+]2CCOCC2)CC1 ZINC000669571071 545215168 /nfs/dbraw/zinc/21/51/68/545215168.db2.gz FGNOJZMWSSBVNC-CYBMUJFWSA-N 2 2 296.415 0.293 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000423529303 528474463 /nfs/dbraw/zinc/47/44/63/528474463.db2.gz PNKRTGUATIFJTH-BYNSBNAKSA-N 2 2 295.427 0.683 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000423529303 528474464 /nfs/dbraw/zinc/47/44/64/528474464.db2.gz PNKRTGUATIFJTH-BYNSBNAKSA-N 2 2 295.427 0.683 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000423627822 528479348 /nfs/dbraw/zinc/47/93/48/528479348.db2.gz VDZHFPDQOZOSFL-BFHYXJOUSA-N 2 2 283.416 0.744 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000423627822 528479352 /nfs/dbraw/zinc/47/93/52/528479352.db2.gz VDZHFPDQOZOSFL-BFHYXJOUSA-N 2 2 283.416 0.744 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000423627824 528479517 /nfs/dbraw/zinc/47/95/17/528479517.db2.gz VDZHFPDQOZOSFL-HZSPNIEDSA-N 2 2 283.416 0.744 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000423627824 528479525 /nfs/dbraw/zinc/47/95/25/528479525.db2.gz VDZHFPDQOZOSFL-HZSPNIEDSA-N 2 2 283.416 0.744 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000423589257 528479890 /nfs/dbraw/zinc/47/98/90/528479890.db2.gz HAWLPLHBIDOGIO-MELADBBJSA-N 2 2 283.416 0.602 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000423589257 528479894 /nfs/dbraw/zinc/47/98/94/528479894.db2.gz HAWLPLHBIDOGIO-MELADBBJSA-N 2 2 283.416 0.602 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@@H]1CC[NH+](CC)C1 ZINC000412883256 528485292 /nfs/dbraw/zinc/48/52/92/528485292.db2.gz VSTSREHUTBHYKR-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@@H]1CC[NH+](CC)C1 ZINC000412883256 528485296 /nfs/dbraw/zinc/48/52/96/528485296.db2.gz VSTSREHUTBHYKR-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP CCCC[NH+]1CCOC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC)C1 ZINC000412883256 528485302 /nfs/dbraw/zinc/48/53/02/528485302.db2.gz VSTSREHUTBHYKR-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP CCCC[NH+]1CCOC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC)C1 ZINC000412883256 528485305 /nfs/dbraw/zinc/48/53/05/528485305.db2.gz VSTSREHUTBHYKR-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000449086903 528539900 /nfs/dbraw/zinc/53/99/00/528539900.db2.gz DQSWERZXUMTJQM-RYUDHWBXSA-N 2 2 257.378 0.211 20 0 CCADLP C[C@@H](C(N)=O)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986522 545241177 /nfs/dbraw/zinc/24/11/77/545241177.db2.gz FLQZNOYZJFEIJM-RYUDHWBXSA-N 2 2 255.362 0.047 20 0 CCADLP C[C@@H](C(N)=O)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986522 545241178 /nfs/dbraw/zinc/24/11/78/545241178.db2.gz FLQZNOYZJFEIJM-RYUDHWBXSA-N 2 2 255.362 0.047 20 0 CCADLP CC[C@H](Cn1cncn1)[NH2+]CC[NH+]1CCC(OC)CC1 ZINC000671115751 545242942 /nfs/dbraw/zinc/24/29/42/545242942.db2.gz FXPVHHSQOUEGKT-CYBMUJFWSA-N 2 2 281.404 0.757 20 0 CCADLP O=C(N1CCCC1)[C@@]1(O)CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000671557161 545254098 /nfs/dbraw/zinc/25/40/98/545254098.db2.gz VBXWCEKVILTYMQ-OAHLLOKOSA-N 2 2 292.383 0.332 20 0 CCADLP O=C(N1CCCC1)[C@@]1(O)CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000671557161 545254099 /nfs/dbraw/zinc/25/40/99/545254099.db2.gz VBXWCEKVILTYMQ-OAHLLOKOSA-N 2 2 292.383 0.332 20 0 CCADLP CCC([NH3+])(CC)CNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000418114856 528932387 /nfs/dbraw/zinc/93/23/87/528932387.db2.gz MZQHODMIPVIHJQ-UHFFFAOYSA-N 2 2 298.431 0.668 20 0 CCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCC[NH+](C)C ZINC000672663662 545271197 /nfs/dbraw/zinc/27/11/97/545271197.db2.gz VBRFWSCLTLELNE-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000428045511 529132563 /nfs/dbraw/zinc/13/25/63/529132563.db2.gz QEWVBGHPUMUNHT-SOUVJXGZSA-N 3 2 294.443 0.223 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000428045511 529132564 /nfs/dbraw/zinc/13/25/64/529132564.db2.gz QEWVBGHPUMUNHT-SOUVJXGZSA-N 3 2 294.443 0.223 20 0 CCADLP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000422860554 529151988 /nfs/dbraw/zinc/15/19/88/529151988.db2.gz LOPYQPIKKLBDGC-ILXRZTDVSA-N 3 2 268.449 0.743 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000673667967 545290498 /nfs/dbraw/zinc/29/04/98/545290498.db2.gz CNQXTGPUHRARMN-NSHDSACASA-N 2 2 260.297 0.603 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000673667967 545290499 /nfs/dbraw/zinc/29/04/99/545290499.db2.gz CNQXTGPUHRARMN-NSHDSACASA-N 2 2 260.297 0.603 20 0 CCADLP CC(C)O[C@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000361239392 534925854 /nfs/dbraw/zinc/92/58/54/534925854.db2.gz ZHYUTCRCWUNISN-KGLIPLIRSA-N 2 2 297.443 0.942 20 0 CCADLP CCCC[C@H](C[NH3+])NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000517234357 535032363 /nfs/dbraw/zinc/03/23/63/535032363.db2.gz COEFGQCEPRISFC-LLVKDONJSA-N 2 2 288.355 0.910 20 0 CCADLP CC(C)[NH+](CCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C(C)C ZINC000516748849 535068102 /nfs/dbraw/zinc/06/81/02/535068102.db2.gz TUKKMGUWRKBXRW-CQSZACIVSA-N 3 2 299.463 0.390 20 0 CCADLP CC(C)[NH+](CCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C(C)C ZINC000516748849 535068104 /nfs/dbraw/zinc/06/81/04/535068104.db2.gz TUKKMGUWRKBXRW-CQSZACIVSA-N 3 2 299.463 0.390 20 0 CCADLP CC(C)([NH3+])C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000515383706 535197556 /nfs/dbraw/zinc/19/75/56/535197556.db2.gz TZBYSONAMVLOQJ-LLVKDONJSA-N 3 2 252.366 0.111 20 0 CCADLP CC(C)([NH3+])C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000515383706 535197558 /nfs/dbraw/zinc/19/75/58/535197558.db2.gz TZBYSONAMVLOQJ-LLVKDONJSA-N 3 2 252.366 0.111 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CC[NH+](CCC(=O)OC)C[C@@H]1C ZINC000342325342 535248279 /nfs/dbraw/zinc/24/82/79/535248279.db2.gz XXZHTHYPZIWGOO-ZDUSSCGKSA-N 2 2 299.415 0.424 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[NH+](CCC(=O)OC)C[C@@H]1C ZINC000342325342 535248280 /nfs/dbraw/zinc/24/82/80/535248280.db2.gz XXZHTHYPZIWGOO-ZDUSSCGKSA-N 2 2 299.415 0.424 20 0 CCADLP CCC[NH+](C)CC(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000342325342 535248285 /nfs/dbraw/zinc/24/82/85/535248285.db2.gz XXZHTHYPZIWGOO-ZDUSSCGKSA-N 2 2 299.415 0.424 20 0 CCADLP CCC[NH+](C)CC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000342325342 535248293 /nfs/dbraw/zinc/24/82/93/535248293.db2.gz XXZHTHYPZIWGOO-ZDUSSCGKSA-N 2 2 299.415 0.424 20 0 CCADLP CC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000675782481 545331251 /nfs/dbraw/zinc/33/12/51/545331251.db2.gz UMSIUOVKLHQJBQ-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP CC[NH+](CC)CCNC(=O)[C@@H]1COCC[N@@H+]1CC ZINC000371343246 535537552 /nfs/dbraw/zinc/53/75/52/535537552.db2.gz BYSXAPWIAXTSSY-LBPRGKRZSA-N 2 2 257.378 0.165 20 0 CCADLP CC[NH+](CC)CCNC(=O)[C@@H]1COCC[N@H+]1CC ZINC000371343246 535537558 /nfs/dbraw/zinc/53/75/58/535537558.db2.gz BYSXAPWIAXTSSY-LBPRGKRZSA-N 2 2 257.378 0.165 20 0 CCADLP C[C@@H](Nc1cc[nH+]c(N(C)C)n1)[C@@H]1C[N@H+](C)CCO1 ZINC000676314589 545341466 /nfs/dbraw/zinc/34/14/66/545341466.db2.gz GGOPXZNZDIWDFD-MNOVXSKESA-N 2 2 265.361 0.674 20 0 CCADLP C[C@@H](Nc1cc[nH+]c(N(C)C)n1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676314589 545341467 /nfs/dbraw/zinc/34/14/67/545341467.db2.gz GGOPXZNZDIWDFD-MNOVXSKESA-N 2 2 265.361 0.674 20 0 CCADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000676702019 545349670 /nfs/dbraw/zinc/34/96/70/545349670.db2.gz OGDAZEBGCXCGJU-OAHLLOKOSA-N 2 2 294.443 0.321 20 0 CCADLP C[N@H+]1CCC[C@@H](N2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000676702019 545349671 /nfs/dbraw/zinc/34/96/71/545349671.db2.gz OGDAZEBGCXCGJU-OAHLLOKOSA-N 2 2 294.443 0.321 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000677059683 545357436 /nfs/dbraw/zinc/35/74/36/545357436.db2.gz BGEHTECWRADMJM-QWHCGFSZSA-N 2 2 274.368 0.728 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000677059683 545357437 /nfs/dbraw/zinc/35/74/37/545357437.db2.gz BGEHTECWRADMJM-QWHCGFSZSA-N 2 2 274.368 0.728 20 0 CCADLP CC[N@@H+]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC000677175172 545359660 /nfs/dbraw/zinc/35/96/60/545359660.db2.gz ZWLFMVSRXBBZEG-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP CC[N@H+]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC000677175172 545359661 /nfs/dbraw/zinc/35/96/61/545359661.db2.gz ZWLFMVSRXBBZEG-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP CC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccn(C)n1 ZINC000349448716 535803288 /nfs/dbraw/zinc/80/32/88/535803288.db2.gz DZQPLKUFBHMEJC-CYBMUJFWSA-N 2 2 293.415 0.625 20 0 CCADLP CN(C(=O)C(C)(C)[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000345638883 535955037 /nfs/dbraw/zinc/95/50/37/535955037.db2.gz KVRBAVXXROVVQF-UHFFFAOYSA-N 2 2 283.416 0.650 20 0 CCADLP Cc1ncc([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)s1 ZINC000677754361 545372442 /nfs/dbraw/zinc/37/24/42/545372442.db2.gz FCPXNUDQOHMTQP-JTQLQIEISA-N 2 2 282.413 0.876 20 0 CCADLP O=C(NCc1cn2ccccc2[nH+]1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000677851789 545374642 /nfs/dbraw/zinc/37/46/42/545374642.db2.gz QPAQUXSTJVUVPI-CQSZACIVSA-N 2 2 299.378 0.340 20 0 CCADLP O=C(NCc1cn2ccccc2[nH+]1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000677851789 545374643 /nfs/dbraw/zinc/37/46/43/545374643.db2.gz QPAQUXSTJVUVPI-CQSZACIVSA-N 2 2 299.378 0.340 20 0 CCADLP c1n[nH]cc1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000678125609 545385521 /nfs/dbraw/zinc/38/55/21/545385521.db2.gz LYEYZSTVJCHFLX-UHFFFAOYSA-N 2 2 263.389 0.623 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000678715615 545396661 /nfs/dbraw/zinc/39/66/61/545396661.db2.gz ZXXARUJZNVHZQA-BZUAXINKSA-N 2 2 297.443 0.238 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000678774658 545397130 /nfs/dbraw/zinc/39/71/30/545397130.db2.gz BFLUWWWLGVTIDL-NSHDSACASA-N 2 2 265.361 0.656 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000678774658 545397131 /nfs/dbraw/zinc/39/71/31/545397131.db2.gz BFLUWWWLGVTIDL-NSHDSACASA-N 2 2 265.361 0.656 20 0 CCADLP C[N@@H+]1CCC[C@H](N2CC[NH+](CCCn3cc[nH+]c3)CC2)C1 ZINC000678887562 545399443 /nfs/dbraw/zinc/39/94/43/545399443.db2.gz UOSXDRMOEJSVRJ-INIZCTEOSA-N 3 2 291.443 0.985 20 0 CCADLP C[N@H+]1CCC[C@H](N2CC[NH+](CCCn3cc[nH+]c3)CC2)C1 ZINC000678887562 545399444 /nfs/dbraw/zinc/39/94/44/545399444.db2.gz UOSXDRMOEJSVRJ-INIZCTEOSA-N 3 2 291.443 0.985 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC=CCC2)C1 ZINC000679324425 545407148 /nfs/dbraw/zinc/40/71/48/545407148.db2.gz ZZYKFODTXMZOAD-HNNXBMFYSA-N 2 2 295.427 0.721 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC=CCC2)C1 ZINC000679324425 545407149 /nfs/dbraw/zinc/40/71/49/545407149.db2.gz ZZYKFODTXMZOAD-HNNXBMFYSA-N 2 2 295.427 0.721 20 0 CCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2CC=CCC2)C1 ZINC000679324425 545407150 /nfs/dbraw/zinc/40/71/50/545407150.db2.gz ZZYKFODTXMZOAD-HNNXBMFYSA-N 2 2 295.427 0.721 20 0 CCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2CC=CCC2)C1 ZINC000679324425 545407151 /nfs/dbraw/zinc/40/71/51/545407151.db2.gz ZZYKFODTXMZOAD-HNNXBMFYSA-N 2 2 295.427 0.721 20 0 CCADLP COC[C@@H]([NH3+])C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000263253985 536662784 /nfs/dbraw/zinc/66/27/84/536662784.db2.gz PZWQBJCAMHAMJW-CQSZACIVSA-N 2 2 288.351 0.521 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)N[C@H]1CCC[N@@H+](C)C1)CC2 ZINC000679890291 545417871 /nfs/dbraw/zinc/41/78/71/545417871.db2.gz KIHNBNGHIFRDDK-LBPRGKRZSA-N 2 2 277.372 0.811 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)N[C@H]1CCC[N@H+](C)C1)CC2 ZINC000679890291 545417872 /nfs/dbraw/zinc/41/78/72/545417872.db2.gz KIHNBNGHIFRDDK-LBPRGKRZSA-N 2 2 277.372 0.811 20 0 CCADLP CN(C)c1cc[nH+]c(NC(=O)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000680259028 545424498 /nfs/dbraw/zinc/42/44/98/545424498.db2.gz UHRHKKAWIXGKHT-NSHDSACASA-N 2 2 264.329 0.417 20 0 CCADLP CN(C)c1cc[nH+]c(NC(=O)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000680259028 545424499 /nfs/dbraw/zinc/42/44/99/545424499.db2.gz UHRHKKAWIXGKHT-NSHDSACASA-N 2 2 264.329 0.417 20 0 CCADLP COCCn1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cn1 ZINC000373263846 536844452 /nfs/dbraw/zinc/84/44/52/536844452.db2.gz LQHAASMVWNSGLY-OKILXGFUSA-N 2 2 264.373 0.523 20 0 CCADLP COCCn1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cn1 ZINC000373263846 536844456 /nfs/dbraw/zinc/84/44/56/536844456.db2.gz LQHAASMVWNSGLY-OKILXGFUSA-N 2 2 264.373 0.523 20 0 CCADLP COCCn1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cn1 ZINC000373263846 536844464 /nfs/dbraw/zinc/84/44/64/536844464.db2.gz LQHAASMVWNSGLY-OKILXGFUSA-N 2 2 264.373 0.523 20 0 CCADLP COCCn1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cn1 ZINC000373263846 536844469 /nfs/dbraw/zinc/84/44/69/536844469.db2.gz LQHAASMVWNSGLY-OKILXGFUSA-N 2 2 264.373 0.523 20 0 CCADLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000681551537 545455703 /nfs/dbraw/zinc/45/57/03/545455703.db2.gz RHPARTDWUBNFFZ-NEPJUHHUSA-N 2 2 274.368 0.798 20 0 CCADLP C[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000681654155 545458845 /nfs/dbraw/zinc/45/88/45/545458845.db2.gz AZZJJCGIPCAXEO-RYUDHWBXSA-N 2 2 277.372 0.591 20 0 CCADLP C[N@H+]1CCC[C@H](NC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000681654155 545458846 /nfs/dbraw/zinc/45/88/46/545458846.db2.gz AZZJJCGIPCAXEO-RYUDHWBXSA-N 2 2 277.372 0.591 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000682010212 545470052 /nfs/dbraw/zinc/47/00/52/545470052.db2.gz GLUKHIYEHHRUHU-CYBMUJFWSA-N 2 2 283.416 0.386 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000682010212 545470053 /nfs/dbraw/zinc/47/00/53/545470053.db2.gz GLUKHIYEHHRUHU-CYBMUJFWSA-N 2 2 283.416 0.386 20 0 CCADLP C[NH+]1CCCC[C@@H]1C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000682010212 545470054 /nfs/dbraw/zinc/47/00/54/545470054.db2.gz GLUKHIYEHHRUHU-CYBMUJFWSA-N 2 2 283.416 0.386 20 0 CCADLP C[NH+]1CCCC[C@@H]1C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000682010212 545470055 /nfs/dbraw/zinc/47/00/55/545470055.db2.gz GLUKHIYEHHRUHU-CYBMUJFWSA-N 2 2 283.416 0.386 20 0 CCADLP Cn1cc[nH+]c1CN1CC[N@H+](CCO)C(C)(C)C1 ZINC000682032635 545470651 /nfs/dbraw/zinc/47/06/51/545470651.db2.gz JDUFXGRJXNROGQ-UHFFFAOYSA-N 2 2 252.362 0.309 20 0 CCADLP Cn1cc[nH+]c1CN1CC[N@@H+](CCO)C(C)(C)C1 ZINC000682032635 545470652 /nfs/dbraw/zinc/47/06/52/545470652.db2.gz JDUFXGRJXNROGQ-UHFFFAOYSA-N 2 2 252.362 0.309 20 0 CCADLP C[C@@H]1C[C@H](C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CO1 ZINC000682223758 545475935 /nfs/dbraw/zinc/47/59/35/545475935.db2.gz HLYSCPRHRJPNSP-HZSPNIEDSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H]1C[C@H](C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CO1 ZINC000682223758 545475936 /nfs/dbraw/zinc/47/59/36/545475936.db2.gz HLYSCPRHRJPNSP-HZSPNIEDSA-N 2 2 295.427 0.696 20 0 CCADLP NC(=O)C[NH+]1CCN(c2cc[nH+]c3c(O)cccc23)CC1 ZINC000682241328 545476249 /nfs/dbraw/zinc/47/62/49/545476249.db2.gz USHBCYCFYYHOIB-UHFFFAOYSA-N 2 2 286.335 0.548 20 0 CCADLP C[C@H]1CC[N@H+](CCNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000682506811 545481393 /nfs/dbraw/zinc/48/13/93/545481393.db2.gz GSCYYJMTGUKRMU-STQMWFEESA-N 2 2 276.384 0.904 20 0 CCADLP C[C@H]1CC[N@@H+](CCNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000682506811 545481394 /nfs/dbraw/zinc/48/13/94/545481394.db2.gz GSCYYJMTGUKRMU-STQMWFEESA-N 2 2 276.384 0.904 20 0 CCADLP CCN1OC[C@H]([N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000682677790 545487263 /nfs/dbraw/zinc/48/72/63/545487263.db2.gz TUHCFURVUIERTK-AVGNSLFASA-N 2 2 278.356 0.928 20 0 CCADLP CCN1OC[C@H]([N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000682677790 545487264 /nfs/dbraw/zinc/48/72/64/545487264.db2.gz TUHCFURVUIERTK-AVGNSLFASA-N 2 2 278.356 0.928 20 0 CCADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCOC[C@H]1CO ZINC000683526544 545544186 /nfs/dbraw/zinc/54/41/86/545544186.db2.gz KSQLVKLCSHQCDK-CYBMUJFWSA-N 2 2 253.346 0.665 20 0 CCADLP Cc1[nH+]ccn1CCCC[N@H+]1CCOC[C@H]1CO ZINC000683526544 545544190 /nfs/dbraw/zinc/54/41/90/545544190.db2.gz KSQLVKLCSHQCDK-CYBMUJFWSA-N 2 2 253.346 0.665 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC1CC(C[NH2+]C[C@@H]2CCOC2)C1 ZINC000962466300 649901945 /nfs/dbraw/zinc/90/19/45/649901945.db2.gz PSBAFTOCVDNKBM-HIFPTAJRSA-N 2 2 292.383 0.473 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21 ZINC000962575024 649904256 /nfs/dbraw/zinc/90/42/56/649904256.db2.gz IAMKELIGNOXIJI-PJXYFTJBSA-N 2 2 266.320 0.207 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC000962575024 649904261 /nfs/dbraw/zinc/90/42/61/649904261.db2.gz IAMKELIGNOXIJI-PJXYFTJBSA-N 2 2 266.320 0.207 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@H+](CN2CCC3(CCOCC3)C2=O)C1 ZINC000777537444 581119453 /nfs/dbraw/zinc/11/94/53/581119453.db2.gz RITRQWXRVRJIMA-CQSZACIVSA-N 2 2 295.427 0.857 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@@H+](CN2CCC3(CCOCC3)C2=O)C1 ZINC000777537444 581119454 /nfs/dbraw/zinc/11/94/54/581119454.db2.gz RITRQWXRVRJIMA-CQSZACIVSA-N 2 2 295.427 0.857 20 0 CCADLP C[NH+](C)C1(C(=O)N2CC[NH+](C(C)(C)CO)CC2)CCC1 ZINC000778942995 581170691 /nfs/dbraw/zinc/17/06/91/581170691.db2.gz MTROPQWKCPNCAR-UHFFFAOYSA-N 2 2 283.416 0.386 20 0 CCADLP CC(C)c1[nH+]ccn1CCNC(=O)CC[NH+]1CCOCC1 ZINC000725892483 581174980 /nfs/dbraw/zinc/17/49/80/581174980.db2.gz CFYNPHPRYZNMFA-UHFFFAOYSA-N 2 2 294.399 0.845 20 0 CCADLP CC[C@@H](CO)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000779779600 581204169 /nfs/dbraw/zinc/20/41/69/581204169.db2.gz DSPJPHQGFLNRAF-ZDUSSCGKSA-N 2 2 285.432 0.489 20 0 CCADLP CC[C@@H](CO)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000779779600 581204172 /nfs/dbraw/zinc/20/41/72/581204172.db2.gz DSPJPHQGFLNRAF-ZDUSSCGKSA-N 2 2 285.432 0.489 20 0 CCADLP C[N@@H+]1CC[C@@]2(CC[NH+](CN3CCOC3=S)C2)C1 ZINC000793745272 581310591 /nfs/dbraw/zinc/31/05/91/581310591.db2.gz NBNZKHPFUVDDNV-GFCCVEGCSA-N 2 2 255.387 0.589 20 0 CCADLP C[N@H+]1CC[C@@]2(CC[NH+](CN3CCOC3=S)C2)C1 ZINC000793745272 581310594 /nfs/dbraw/zinc/31/05/94/581310594.db2.gz NBNZKHPFUVDDNV-GFCCVEGCSA-N 2 2 255.387 0.589 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@H+](CN3CCOC3=S)C2)C1 ZINC000793745272 581310595 /nfs/dbraw/zinc/31/05/95/581310595.db2.gz NBNZKHPFUVDDNV-GFCCVEGCSA-N 2 2 255.387 0.589 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@@H+](CN3CCOC3=S)C2)C1 ZINC000793745272 581310598 /nfs/dbraw/zinc/31/05/98/581310598.db2.gz NBNZKHPFUVDDNV-GFCCVEGCSA-N 2 2 255.387 0.589 20 0 CCADLP NC(=O)C[N@H+](C[C@H](O)C[NH+]1CCCC1)C1CCCC1 ZINC000728734095 581368942 /nfs/dbraw/zinc/36/89/42/581368942.db2.gz YGTOVAAGEXVUAA-CYBMUJFWSA-N 2 2 269.389 0.173 20 0 CCADLP NC(=O)C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1CCCC1 ZINC000728734095 581368944 /nfs/dbraw/zinc/36/89/44/581368944.db2.gz YGTOVAAGEXVUAA-CYBMUJFWSA-N 2 2 269.389 0.173 20 0 CCADLP CC[C@@]1(C)C[N@H+](C[C@H](O)C[NH+]2CCCC2)CCO1 ZINC000785495637 581410517 /nfs/dbraw/zinc/41/05/17/581410517.db2.gz PJLNLFZYIPOPJW-KGLIPLIRSA-N 2 2 256.390 0.944 20 0 CCADLP CC[C@@]1(C)C[N@@H+](C[C@H](O)C[NH+]2CCCC2)CCO1 ZINC000785495637 581410519 /nfs/dbraw/zinc/41/05/19/581410519.db2.gz PJLNLFZYIPOPJW-KGLIPLIRSA-N 2 2 256.390 0.944 20 0 CCADLP Cn1nccc1C1=CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000796144735 581432695 /nfs/dbraw/zinc/43/26/95/581432695.db2.gz UORHEKXXAQTXCS-HNNXBMFYSA-N 2 2 290.411 0.966 20 0 CCADLP Cn1nccc1C1=CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000796144735 581432696 /nfs/dbraw/zinc/43/26/96/581432696.db2.gz UORHEKXXAQTXCS-HNNXBMFYSA-N 2 2 290.411 0.966 20 0 CCADLP COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000786441368 581440874 /nfs/dbraw/zinc/44/08/74/581440874.db2.gz OUGAHGKPTGWSEE-TUVASFSCSA-N 2 2 296.411 0.717 20 0 CCADLP COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000786441368 581440876 /nfs/dbraw/zinc/44/08/76/581440876.db2.gz OUGAHGKPTGWSEE-TUVASFSCSA-N 2 2 296.411 0.717 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH+]2CCCC2)C[C@@]2(CCOC2)O1 ZINC000796560101 581443858 /nfs/dbraw/zinc/44/38/58/581443858.db2.gz MSEXGMKEVKFHQG-RBSFLKMASA-N 2 2 284.400 0.323 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+]2CCCC2)C[C@@]2(CCOC2)O1 ZINC000796560101 581443861 /nfs/dbraw/zinc/44/38/61/581443861.db2.gz MSEXGMKEVKFHQG-RBSFLKMASA-N 2 2 284.400 0.323 20 0 CCADLP CC(C)[C@H]1CC[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000796730375 581449110 /nfs/dbraw/zinc/44/91/10/581449110.db2.gz QWJSZKNQKIAPAL-OLZOCXBDSA-N 2 2 253.390 0.785 20 0 CCADLP CCS(=O)(=O)CC[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000753368544 581536905 /nfs/dbraw/zinc/53/69/05/581536905.db2.gz QAXZIBPGJASHQQ-UHFFFAOYSA-N 2 2 294.380 0.792 20 0 CCADLP CC(C)c1nc(N2CCC([NH3+])(CO)CC2)cc[nH+]1 ZINC000733994454 581537931 /nfs/dbraw/zinc/53/79/31/581537931.db2.gz ILNLNPXQIAUBFH-UHFFFAOYSA-N 2 2 250.346 0.890 20 0 CCADLP C[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)S(C)(=O)=O ZINC000754085859 581574825 /nfs/dbraw/zinc/57/48/25/581574825.db2.gz QXCIBGMMWOUZRS-NSHDSACASA-N 2 2 294.380 0.790 20 0 CCADLP CC[NH2+]CC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000754273495 581584785 /nfs/dbraw/zinc/58/47/85/581584785.db2.gz RLURXFXAKCKOAB-UHFFFAOYSA-N 2 2 291.395 0.819 20 0 CCADLP Cc1cc(NC[C@@H](O)C[NH+](C)C)nc(C2CC2)[nH+]1 ZINC000734835114 581590684 /nfs/dbraw/zinc/59/06/84/581590684.db2.gz OZONMPCOHHFTKA-LLVKDONJSA-N 2 2 250.346 0.997 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCO[C@H](C)C1 ZINC000745794218 581641039 /nfs/dbraw/zinc/64/10/39/581641039.db2.gz XXGVJSQREAEHTL-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCO[C@H](C)C1 ZINC000745794218 581641044 /nfs/dbraw/zinc/64/10/44/581641044.db2.gz XXGVJSQREAEHTL-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH+]1CCC[C@@H]1CNC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000745794218 581641051 /nfs/dbraw/zinc/64/10/51/581641051.db2.gz XXGVJSQREAEHTL-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP Cn1cnn(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1=O ZINC000758355317 581697981 /nfs/dbraw/zinc/69/79/81/581697981.db2.gz DPCLAUQZJJNDDJ-ZDUSSCGKSA-N 2 2 279.388 0.203 20 0 CCADLP Cn1cnn(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1=O ZINC000758355317 581697984 /nfs/dbraw/zinc/69/79/84/581697984.db2.gz DPCLAUQZJJNDDJ-ZDUSSCGKSA-N 2 2 279.388 0.203 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)CC[NH+]1CCOCC1 ZINC000732092205 581802323 /nfs/dbraw/zinc/80/23/23/581802323.db2.gz AHXGJRNKZSTOEZ-UHFFFAOYSA-N 2 2 252.318 0.090 20 0 CCADLP COC[C@]1(C)CC(=O)N(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000747456282 581941918 /nfs/dbraw/zinc/94/19/18/581941918.db2.gz HZXFSBMLBTWLLW-DZGCQCFKSA-N 2 2 283.416 0.712 20 0 CCADLP COC[C@]1(C)CC(=O)N(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000747456282 581941919 /nfs/dbraw/zinc/94/19/19/581941919.db2.gz HZXFSBMLBTWLLW-DZGCQCFKSA-N 2 2 283.416 0.712 20 0 CCADLP Cn1c(Cl)nc(Cl)c1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000762556337 581951032 /nfs/dbraw/zinc/95/10/32/581951032.db2.gz NVCIGZQCVNADEG-LLVKDONJSA-N 2 2 293.198 0.883 20 0 CCADLP Cn1c(Cl)nc(Cl)c1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000762556337 581951036 /nfs/dbraw/zinc/95/10/36/581951036.db2.gz NVCIGZQCVNADEG-LLVKDONJSA-N 2 2 293.198 0.883 20 0 CCADLP CON(C)C(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000774687146 581988469 /nfs/dbraw/zinc/98/84/69/581988469.db2.gz KPOMZVOBRZHINA-UHFFFAOYSA-N 2 2 252.318 0.609 20 0 CCADLP COC[C@@H](O)C[NH+]1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000749337011 582003369 /nfs/dbraw/zinc/00/33/69/582003369.db2.gz VYJXZGVMONIXJO-NSHDSACASA-N 2 2 287.429 0.493 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000776956562 582093620 /nfs/dbraw/zinc/09/36/20/582093620.db2.gz NTPMTWXECGCAQM-JHJVBQTASA-N 2 2 270.373 0.448 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000776956562 582093623 /nfs/dbraw/zinc/09/36/23/582093623.db2.gz NTPMTWXECGCAQM-JHJVBQTASA-N 2 2 270.373 0.448 20 0 CCADLP CCOCC[C@H](O)C[N@@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000923411566 615300801 /nfs/dbraw/zinc/30/08/01/615300801.db2.gz NFCLMDGMMQOJBO-YNEHKIRRSA-N 2 2 260.378 0.212 20 0 CCADLP CCOCC[C@H](O)C[N@H+]1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000923411566 615300803 /nfs/dbraw/zinc/30/08/03/615300803.db2.gz NFCLMDGMMQOJBO-YNEHKIRRSA-N 2 2 260.378 0.212 20 0 CCADLP C[C@H](O)C[NH2+]C1CC2(CC(NC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000965590630 649934520 /nfs/dbraw/zinc/93/45/20/649934520.db2.gz VALHFWCDDVYZCZ-ZWESNROVSA-N 2 2 292.383 0.350 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC1CC2(C1)CC([NH2+]CCF)C2 ZINC000965848018 649938329 /nfs/dbraw/zinc/93/83/29/649938329.db2.gz UECVDCGLPUETKO-UHFFFAOYSA-N 2 2 294.374 0.949 20 0 CCADLP COc1cc([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)on1 ZINC000924995174 617217190 /nfs/dbraw/zinc/21/71/90/617217190.db2.gz XTRNGQQYVAMEFN-RYUDHWBXSA-N 2 2 282.388 0.970 20 0 CCADLP CC(C)[C@@](C)(C[NH3+])NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876536014 614181415 /nfs/dbraw/zinc/18/14/15/614181415.db2.gz SRXZEYYBCGTDRE-ZRUQZJFASA-N 2 2 269.389 0.364 20 0 CCADLP CC(C)[C@H](C[NH2+][C@H](C)c1cnn(C)n1)N1CC[NH+](C)CC1 ZINC000924631666 614210393 /nfs/dbraw/zinc/21/03/93/614210393.db2.gz NZUWYGAMVVUWHM-HIFRSBDPSA-N 2 2 294.447 0.738 20 0 CCADLP CC(=O)OC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000894669354 614224316 /nfs/dbraw/zinc/22/43/16/614224316.db2.gz ZIFVJBLBNVTOAU-YPMHNXCESA-N 2 2 258.362 0.374 20 0 CCADLP CC(=O)OC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000894669354 614224318 /nfs/dbraw/zinc/22/43/18/614224318.db2.gz ZIFVJBLBNVTOAU-YPMHNXCESA-N 2 2 258.362 0.374 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CCF)C1 ZINC000898489097 614254701 /nfs/dbraw/zinc/25/47/01/614254701.db2.gz AZAZZBJJTBRBMO-LBPRGKRZSA-N 2 2 259.369 0.877 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](CCF)C1 ZINC000898489097 614254703 /nfs/dbraw/zinc/25/47/03/614254703.db2.gz AZAZZBJJTBRBMO-LBPRGKRZSA-N 2 2 259.369 0.877 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898489097 614254706 /nfs/dbraw/zinc/25/47/06/614254706.db2.gz AZAZZBJJTBRBMO-LBPRGKRZSA-N 2 2 259.369 0.877 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898489097 614254707 /nfs/dbraw/zinc/25/47/07/614254707.db2.gz AZAZZBJJTBRBMO-LBPRGKRZSA-N 2 2 259.369 0.877 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868445490 614257130 /nfs/dbraw/zinc/25/71/30/614257130.db2.gz IIGVDQGSBHTIJM-VBROQKIQSA-N 2 2 283.416 0.720 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868445490 614257132 /nfs/dbraw/zinc/25/71/32/614257132.db2.gz IIGVDQGSBHTIJM-VBROQKIQSA-N 2 2 283.416 0.720 20 0 CCADLP COc1ccc(OC)c([C@H](O)C[NH2+]C[C@@H](O)C[NH+](C)C)c1 ZINC000843064280 617275976 /nfs/dbraw/zinc/27/59/76/617275976.db2.gz YEFMUVSBZDELHC-BXUZGUMPSA-N 2 2 298.383 0.249 20 0 CCADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000876711017 613192028 /nfs/dbraw/zinc/19/20/28/613192028.db2.gz RUEZEUXDDDDAOY-KOABKASLSA-N 2 2 295.427 0.625 20 0 CCADLP C/C=C/[C@H](O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000900693488 613193857 /nfs/dbraw/zinc/19/38/57/613193857.db2.gz UKSNJMMTVYMAEG-GJBLVYBDSA-N 2 2 283.416 0.408 20 0 CCADLP C/C=C/[C@H](O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000900693488 613193859 /nfs/dbraw/zinc/19/38/59/613193859.db2.gz UKSNJMMTVYMAEG-GJBLVYBDSA-N 2 2 283.416 0.408 20 0 CCADLP C(CC[NH2+][C@H]1CC[NH2+]C12CCC2)CC[NH+]1CCNCC1 ZINC000925844131 613224337 /nfs/dbraw/zinc/22/43/37/613224337.db2.gz WGIGUQKQMPXHIV-HNNXBMFYSA-N 3 2 280.460 0.936 20 0 CCADLP C1CC[C@H]([NH+]2CCOCC2)[C@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925560441 613225293 /nfs/dbraw/zinc/22/52/93/613225293.db2.gz LYGPTIMESIEJEA-ZNMIVQPWSA-N 2 2 283.416 0.208 20 0 CCADLP C([C@@H]1C[C@@H]2COC[C@H]2O1)[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903872253 613227040 /nfs/dbraw/zinc/22/70/40/613227040.db2.gz XRSGLFXZESTJHE-RQJABVFESA-N 2 2 252.358 0.618 20 0 CCADLP C([C@@H]1C[C@@H]2COC[C@H]2O1)[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903872253 613227041 /nfs/dbraw/zinc/22/70/41/613227041.db2.gz XRSGLFXZESTJHE-RQJABVFESA-N 2 2 252.358 0.618 20 0 CCADLP C1CC1[C@@H]([NH2+][C@H]1COC[C@@H]1C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000902520444 613230508 /nfs/dbraw/zinc/23/05/08/613230508.db2.gz OQTZUBXFRYSJJM-CBBWQLFWSA-N 2 2 266.385 0.768 20 0 CCADLP C/C(=C/C(=O)N1CC[N@@H+](C)CC1(C)C)C[NH+]1CCOCC1 ZINC000901277065 613230882 /nfs/dbraw/zinc/23/08/82/613230882.db2.gz VHAAAQYCWHLHNX-KAMYIIQDSA-N 2 2 295.427 0.818 20 0 CCADLP C/C(=C/C(=O)N1CC[N@H+](C)CC1(C)C)C[NH+]1CCOCC1 ZINC000901277065 613230887 /nfs/dbraw/zinc/23/08/87/613230887.db2.gz VHAAAQYCWHLHNX-KAMYIIQDSA-N 2 2 295.427 0.818 20 0 CCADLP C/C(=C/C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C)C[NH+]1CCOCC1 ZINC000908412584 613232953 /nfs/dbraw/zinc/23/29/53/613232953.db2.gz FRQSAOYHVISMED-ZDZFUCEFSA-N 2 2 295.427 0.816 20 0 CCADLP C=C/C=C/CC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000879356319 613391245 /nfs/dbraw/zinc/39/12/45/613391245.db2.gz HVQATQBXQJVAOD-AATRIKPKSA-N 2 2 251.374 0.825 20 0 CCADLP C=C/C=C/CC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000879356319 613391246 /nfs/dbraw/zinc/39/12/46/613391246.db2.gz HVQATQBXQJVAOD-AATRIKPKSA-N 2 2 251.374 0.825 20 0 CCADLP CC(C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000961823177 613903282 /nfs/dbraw/zinc/90/32/82/613903282.db2.gz IKEBMINJFZEJDM-NTASLKFISA-N 2 2 288.395 0.978 20 0 CCADLP CC(C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000961823177 613903283 /nfs/dbraw/zinc/90/32/83/613903283.db2.gz IKEBMINJFZEJDM-NTASLKFISA-N 2 2 288.395 0.978 20 0 CCADLP CC(C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000960632631 613903913 /nfs/dbraw/zinc/90/39/13/613903913.db2.gz UDTOFIRUFZIYLG-SPWCGHHHSA-N 2 2 288.395 0.900 20 0 CCADLP CC(C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000960632631 613903916 /nfs/dbraw/zinc/90/39/16/613903916.db2.gz UDTOFIRUFZIYLG-SPWCGHHHSA-N 2 2 288.395 0.900 20 0 CCADLP CC(C)NC(=O)NCC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931316492 613926061 /nfs/dbraw/zinc/92/60/61/613926061.db2.gz IHHXCLBZGQKNNL-GJZGRUSLSA-N 2 2 282.432 0.968 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000908758441 613932817 /nfs/dbraw/zinc/93/28/17/613932817.db2.gz KNRBTCSLUUNKMZ-ZYHUDNBSSA-N 2 2 262.357 0.797 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000908758441 613932818 /nfs/dbraw/zinc/93/28/18/613932818.db2.gz KNRBTCSLUUNKMZ-ZYHUDNBSSA-N 2 2 262.357 0.797 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000896286971 613940103 /nfs/dbraw/zinc/94/01/03/613940103.db2.gz XOWJPIHLHDUMMG-JTQLQIEISA-N 2 2 250.346 0.941 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000896286971 613940106 /nfs/dbraw/zinc/94/01/06/613940106.db2.gz XOWJPIHLHDUMMG-JTQLQIEISA-N 2 2 250.346 0.941 20 0 CCADLP CC(C)[NH2+][C@H](C)[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC000979341601 613977993 /nfs/dbraw/zinc/97/79/93/613977993.db2.gz AWTANYFONUUXPQ-KGLIPLIRSA-N 2 2 294.399 0.887 20 0 CCADLP CC(C)OC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880140326 614028639 /nfs/dbraw/zinc/02/86/39/614028639.db2.gz HVRDDEDZEULJFL-MJBXVCDLSA-N 2 2 256.390 0.941 20 0 CCADLP CC(C)OC[C@@H](O)C[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880140326 614028643 /nfs/dbraw/zinc/02/86/43/614028643.db2.gz HVRDDEDZEULJFL-MJBXVCDLSA-N 2 2 256.390 0.941 20 0 CCADLP CC(C)OC[C@@H](O)C[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880140326 614028644 /nfs/dbraw/zinc/02/86/44/614028644.db2.gz HVRDDEDZEULJFL-MJBXVCDLSA-N 2 2 256.390 0.941 20 0 CCADLP CC(C)OC[C@@H](O)C[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880140326 614028647 /nfs/dbraw/zinc/02/86/47/614028647.db2.gz HVRDDEDZEULJFL-MJBXVCDLSA-N 2 2 256.390 0.941 20 0 CCADLP CC(C)(CNC(=O)[C@H]1CC[C@@H]([NH3+])CC1)[NH+]1CCOCC1 ZINC000870853474 614105244 /nfs/dbraw/zinc/10/52/44/614105244.db2.gz ITJGJXXWGHFUKO-BETUJISGSA-N 2 2 283.416 0.731 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)N1CCO[C@@H](C)C1 ZINC000123665529 614117818 /nfs/dbraw/zinc/11/78/18/614117818.db2.gz ZZCNCOUODTXSSO-STQMWFEESA-N 2 2 271.405 0.539 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)N1CCO[C@@H](C)C1 ZINC000123665529 614117820 /nfs/dbraw/zinc/11/78/20/614117820.db2.gz ZZCNCOUODTXSSO-STQMWFEESA-N 2 2 271.405 0.539 20 0 CCADLP CC(C)[C@H](C(=O)N1CC[NH+](CCCO)CC1)[NH+](C)C ZINC000950088270 614188283 /nfs/dbraw/zinc/18/82/83/614188283.db2.gz APSSXEFHNWICAO-CYBMUJFWSA-N 2 2 271.405 0.099 20 0 CCADLP CC(C)C[C@@H](C[NH3+])NC(=O)NCc1c[nH+]cn1C ZINC000892038661 614189369 /nfs/dbraw/zinc/18/93/69/614189369.db2.gz ZCXBGNIPXHPDGC-JTQLQIEISA-N 2 2 253.350 0.593 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@@H+]1CCC2(C1)OCCO2)[NH+](C)C ZINC000899057309 614190090 /nfs/dbraw/zinc/19/00/90/614190090.db2.gz BIFLPAAAEKOLHJ-CYBMUJFWSA-N 2 2 299.415 0.138 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@H+]1CCC2(C1)OCCO2)[NH+](C)C ZINC000899057309 614190092 /nfs/dbraw/zinc/19/00/92/614190092.db2.gz BIFLPAAAEKOLHJ-CYBMUJFWSA-N 2 2 299.415 0.138 20 0 CCADLP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000825131214 614190404 /nfs/dbraw/zinc/19/04/04/614190404.db2.gz BQFDIVYAJIUJLI-QJPTWQEYSA-N 2 2 292.383 0.475 20 0 CCADLP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000825131214 614190407 /nfs/dbraw/zinc/19/04/07/614190407.db2.gz BQFDIVYAJIUJLI-QJPTWQEYSA-N 2 2 292.383 0.475 20 0 CCADLP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000825131214 614190408 /nfs/dbraw/zinc/19/04/08/614190408.db2.gz BQFDIVYAJIUJLI-QJPTWQEYSA-N 2 2 292.383 0.475 20 0 CCADLP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000825131214 614190410 /nfs/dbraw/zinc/19/04/10/614190410.db2.gz BQFDIVYAJIUJLI-QJPTWQEYSA-N 2 2 292.383 0.475 20 0 CCADLP CC(C)(O)C[C@@H](O)C[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000872198633 614201489 /nfs/dbraw/zinc/20/14/89/614201489.db2.gz SWUWEYOMVVDZOW-CYBMUJFWSA-N 2 2 281.400 0.873 20 0 CCADLP CC(C)C[C@@](C)(C[NH3+])NC(=O)C[C@H]([NH3+])C(F)F ZINC000911830026 614208114 /nfs/dbraw/zinc/20/81/14/614208114.db2.gz NRCSOBGHMVDLTL-KWQFWETISA-N 2 2 251.321 0.849 20 0 CCADLP CC(C)[C@H](CNC(=[NH2+])N[C@H]1C[C@H]1C)[NH+]1CCN(C)CC1 ZINC000864451796 614208300 /nfs/dbraw/zinc/20/83/00/614208300.db2.gz YNDUVFXBXPRWSW-RDBSUJKOSA-N 2 2 281.448 0.781 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)CC[N@H+]1C ZINC000913761261 614270725 /nfs/dbraw/zinc/27/07/25/614270725.db2.gz FEWRGGIBMYZEOP-NFAWXSAZSA-N 2 2 283.416 0.240 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC[NH+]1C ZINC000913761261 614270726 /nfs/dbraw/zinc/27/07/26/614270726.db2.gz FEWRGGIBMYZEOP-NFAWXSAZSA-N 2 2 283.416 0.240 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC[NH+]1C ZINC000913761261 614270727 /nfs/dbraw/zinc/27/07/27/614270727.db2.gz FEWRGGIBMYZEOP-NFAWXSAZSA-N 2 2 283.416 0.240 20 0 CCADLP CC1(C)C(=O)NCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903729246 614501364 /nfs/dbraw/zinc/50/13/64/614501364.db2.gz LJGRJFKCLJTTPU-LBPRGKRZSA-N 2 2 281.400 0.356 20 0 CCADLP CC1(C)C(=O)NCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903729246 614501366 /nfs/dbraw/zinc/50/13/66/614501366.db2.gz LJGRJFKCLJTTPU-LBPRGKRZSA-N 2 2 281.400 0.356 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000866186246 614520053 /nfs/dbraw/zinc/52/00/53/614520053.db2.gz FGKYXMHXGLSXRL-WCQYABFASA-N 2 2 280.372 0.633 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000866186246 614520055 /nfs/dbraw/zinc/52/00/55/614520055.db2.gz FGKYXMHXGLSXRL-WCQYABFASA-N 2 2 280.372 0.633 20 0 CCADLP CCCn1cc([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)nn1 ZINC000902793283 614539470 /nfs/dbraw/zinc/53/94/70/614539470.db2.gz GTTHTQLSNJWQQH-ZIAGYGMSSA-N 2 2 294.447 0.975 20 0 CCADLP CCC[N@H+](CC)CCN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000925336016 614569584 /nfs/dbraw/zinc/56/95/84/614569584.db2.gz QVNVSOYHKLZENP-LBPRGKRZSA-N 2 2 293.371 0.605 20 0 CCADLP CCC[N@@H+](CC)CCN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000925336016 614569587 /nfs/dbraw/zinc/56/95/87/614569587.db2.gz QVNVSOYHKLZENP-LBPRGKRZSA-N 2 2 293.371 0.605 20 0 CCADLP CCC[N@H+](CC)CCN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000925336016 614569589 /nfs/dbraw/zinc/56/95/89/614569589.db2.gz QVNVSOYHKLZENP-LBPRGKRZSA-N 2 2 293.371 0.605 20 0 CCADLP CCC[N@@H+](CC)CCN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000925336016 614569591 /nfs/dbraw/zinc/56/95/91/614569591.db2.gz QVNVSOYHKLZENP-LBPRGKRZSA-N 2 2 293.371 0.605 20 0 CCADLP CCN(C(=O)NCCCn1cc[nH+]c1)[C@H]1CC[NH2+]C1 ZINC000887278747 614598440 /nfs/dbraw/zinc/59/84/40/614598440.db2.gz MBQLKPKQXUNERB-LBPRGKRZSA-N 2 2 265.361 0.667 20 0 CCADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1C[NH+](C[C@@H](C)OC)C1 ZINC000949796625 614619983 /nfs/dbraw/zinc/61/99/83/614619983.db2.gz LNRUDXKQENXXAQ-OCCSQVGLSA-N 2 2 283.416 0.648 20 0 CCADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1C[NH+](C[C@@H](C)OC)C1 ZINC000949796625 614619985 /nfs/dbraw/zinc/61/99/85/614619985.db2.gz LNRUDXKQENXXAQ-OCCSQVGLSA-N 2 2 283.416 0.648 20 0 CCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](CO)c2c[nH+]cn2C)C1 ZINC000912612860 614653656 /nfs/dbraw/zinc/65/36/56/614653656.db2.gz SVHRGDWTDHUJNE-OLZOCXBDSA-N 2 2 294.399 0.692 20 0 CCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H](CO)c2c[nH+]cn2C)C1 ZINC000912612860 614653658 /nfs/dbraw/zinc/65/36/58/614653658.db2.gz SVHRGDWTDHUJNE-OLZOCXBDSA-N 2 2 294.399 0.692 20 0 CCADLP CC1(C)C[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@@H]1[NH3+] ZINC000903787456 614671343 /nfs/dbraw/zinc/67/13/43/614671343.db2.gz WUKQAIISDDKMJW-STQMWFEESA-N 3 2 267.417 0.814 20 0 CCADLP CC1(C)C[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@@H]1[NH3+] ZINC000903787456 614671347 /nfs/dbraw/zinc/67/13/47/614671347.db2.gz WUKQAIISDDKMJW-STQMWFEESA-N 3 2 267.417 0.814 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)NCc2c[nH+]cn2C)C1 ZINC000852344824 614716388 /nfs/dbraw/zinc/71/63/88/614716388.db2.gz ZRVAASKFYWCWPL-LLVKDONJSA-N 2 2 265.361 0.704 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)NCc2c[nH+]cn2C)C1 ZINC000852344824 614716392 /nfs/dbraw/zinc/71/63/92/614716392.db2.gz ZRVAASKFYWCWPL-LLVKDONJSA-N 2 2 265.361 0.704 20 0 CCADLP CC1(C)NC(=O)N(CCC[N@@H+]2CC[C@H]3CC[C@]32C[NH3+])C1=O ZINC000903853830 614803747 /nfs/dbraw/zinc/80/37/47/614803747.db2.gz HCLAICIDBIVVDL-ABAIWWIYSA-N 2 2 294.399 0.520 20 0 CCADLP CC1(C)NC(=O)N(CCC[N@H+]2CC[C@H]3CC[C@]32C[NH3+])C1=O ZINC000903853830 614803748 /nfs/dbraw/zinc/80/37/48/614803748.db2.gz HCLAICIDBIVVDL-ABAIWWIYSA-N 2 2 294.399 0.520 20 0 CCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000925675136 614807436 /nfs/dbraw/zinc/80/74/36/614807436.db2.gz VZZQROLFSBBMCI-MNOVXSKESA-N 2 2 260.403 0.541 20 0 CCADLP CC1(C)OCC([NH2+]C[C@H](O)C[NH+]2CCCC2)CO1 ZINC000863555748 614815612 /nfs/dbraw/zinc/81/56/12/614815612.db2.gz WHDMKZHUDDMKDO-LBPRGKRZSA-N 2 2 258.362 0.184 20 0 CCADLP CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000960379093 614830554 /nfs/dbraw/zinc/83/05/54/614830554.db2.gz ZKLAQVDFSCYSAQ-SSKLVLDBSA-N 2 2 274.368 0.970 20 0 CCADLP CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000960379093 614830556 /nfs/dbraw/zinc/83/05/56/614830556.db2.gz ZKLAQVDFSCYSAQ-SSKLVLDBSA-N 2 2 274.368 0.970 20 0 CCADLP CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000960379093 614830558 /nfs/dbraw/zinc/83/05/58/614830558.db2.gz ZKLAQVDFSCYSAQ-SSKLVLDBSA-N 2 2 274.368 0.970 20 0 CCADLP CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000960379093 614830560 /nfs/dbraw/zinc/83/05/60/614830560.db2.gz ZKLAQVDFSCYSAQ-SSKLVLDBSA-N 2 2 274.368 0.970 20 0 CCADLP CC1=NO[C@@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000895300473 614989660 /nfs/dbraw/zinc/98/96/60/614989660.db2.gz MRRYEWCJERRUHK-UONOGXRCSA-N 2 2 267.373 0.994 20 0 CCADLP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000866181722 615003197 /nfs/dbraw/zinc/00/31/97/615003197.db2.gz FZXFAQHXKXJWFG-WCQYABFASA-N 2 2 280.372 0.633 20 0 CCADLP CC[N@H+](CCNC(=O)/C=C\C[NH+]1CCOCC1)C(C)C ZINC000865819507 615047462 /nfs/dbraw/zinc/04/74/62/615047462.db2.gz MCZBDIRIEBFTRF-WAYWQWQTSA-N 2 2 283.416 0.721 20 0 CCADLP CC[N@@H+](CCNC(=O)/C=C\C[NH+]1CCOCC1)C(C)C ZINC000865819507 615047463 /nfs/dbraw/zinc/04/74/63/615047463.db2.gz MCZBDIRIEBFTRF-WAYWQWQTSA-N 2 2 283.416 0.721 20 0 CCADLP CCN1C(=O)CN(C[N@H+](C)CCCn2cc[nH+]c2)C1=O ZINC000130608159 615078501 /nfs/dbraw/zinc/07/85/01/615078501.db2.gz WJJHGNHJUMZIFT-UHFFFAOYSA-N 2 2 279.344 0.447 20 0 CCADLP CCN1C(=O)CN(C[N@@H+](C)CCCn2cc[nH+]c2)C1=O ZINC000130608159 615078502 /nfs/dbraw/zinc/07/85/02/615078502.db2.gz WJJHGNHJUMZIFT-UHFFFAOYSA-N 2 2 279.344 0.447 20 0 CCADLP CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000969889121 615089501 /nfs/dbraw/zinc/08/95/01/615089501.db2.gz SYNALZJYWPNATH-YUSALJHKSA-N 2 2 262.357 0.970 20 0 CCADLP CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000969889121 615089503 /nfs/dbraw/zinc/08/95/03/615089503.db2.gz SYNALZJYWPNATH-YUSALJHKSA-N 2 2 262.357 0.970 20 0 CCADLP CCNS(=O)(=O)[C@H]1CC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904328330 615108723 /nfs/dbraw/zinc/10/87/23/615108723.db2.gz CORKMTPNRQQGFH-STQMWFEESA-N 2 2 289.445 0.390 20 0 CCADLP CCNS(=O)(=O)[C@H]1CC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904328330 615108724 /nfs/dbraw/zinc/10/87/24/615108724.db2.gz CORKMTPNRQQGFH-STQMWFEESA-N 2 2 289.445 0.390 20 0 CCADLP CC[NH+]1CCN(C(=O)C(=O)Nc2ccccc2C[NH3+])CC1 ZINC000906646369 615148517 /nfs/dbraw/zinc/14/85/17/615148517.db2.gz QZTOBTZKLFFSJY-UHFFFAOYSA-N 2 2 290.367 0.248 20 0 CCADLP CC[NH+]1CCN(CCC[NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925544980 615157992 /nfs/dbraw/zinc/15/79/92/615157992.db2.gz GDRUSLZNBWEVFF-HNNXBMFYSA-N 3 2 280.460 0.888 20 0 CCADLP CCOC(=O)C1=CC[C@H]([NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)C1 ZINC000863544234 615166083 /nfs/dbraw/zinc/16/60/83/615166083.db2.gz OHLULJDQNUAOMO-FPMFFAJLSA-N 2 2 282.384 0.995 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000944155756 615213393 /nfs/dbraw/zinc/21/33/93/615213393.db2.gz PZHXUMTWCFYQQM-DGCLKSJQSA-N 2 2 264.373 0.809 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000944155756 615213395 /nfs/dbraw/zinc/21/33/95/615213395.db2.gz PZHXUMTWCFYQQM-DGCLKSJQSA-N 2 2 264.373 0.809 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)NCCCn1cc[nH+]c1 ZINC000883035406 615249560 /nfs/dbraw/zinc/24/95/60/615249560.db2.gz BKWOUJUTTRNUIO-GFCCVEGCSA-N 2 2 265.361 0.667 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)NCCCn1cc[nH+]c1 ZINC000883035406 615249561 /nfs/dbraw/zinc/24/95/61/615249561.db2.gz BKWOUJUTTRNUIO-GFCCVEGCSA-N 2 2 265.361 0.667 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000883523715 615252509 /nfs/dbraw/zinc/25/25/09/615252509.db2.gz BPBZWHZCLBPSBO-XQQFMLRXSA-N 2 2 284.404 0.099 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000883523715 615252511 /nfs/dbraw/zinc/25/25/11/615252511.db2.gz BPBZWHZCLBPSBO-XQQFMLRXSA-N 2 2 284.404 0.099 20 0 CCADLP CC[NH+]1CC[C@@H]1CNC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000883523715 615252513 /nfs/dbraw/zinc/25/25/13/615252513.db2.gz BPBZWHZCLBPSBO-XQQFMLRXSA-N 2 2 284.404 0.099 20 0 CCADLP CC[NH+]1CC[C@@H]1CNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000883523715 615252514 /nfs/dbraw/zinc/25/25/14/615252514.db2.gz BPBZWHZCLBPSBO-XQQFMLRXSA-N 2 2 284.404 0.099 20 0 CCADLP CCOCCOC[C@H](O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925651001 615285744 /nfs/dbraw/zinc/28/57/44/615285744.db2.gz UTXQDSPGLKNQAN-OLZOCXBDSA-N 2 2 272.389 0.275 20 0 CCADLP CCOC[C@H](O)C[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931288808 615316860 /nfs/dbraw/zinc/31/68/60/615316860.db2.gz UKVZAYHWPUSOSJ-OAHLLOKOSA-N 2 2 286.416 0.571 20 0 CCADLP CCOC[C@H](O)C[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931288808 615316863 /nfs/dbraw/zinc/31/68/63/615316863.db2.gz UKVZAYHWPUSOSJ-OAHLLOKOSA-N 2 2 286.416 0.571 20 0 CCADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000866666711 615367562 /nfs/dbraw/zinc/36/75/62/615367562.db2.gz VKEBCSFFPYZPLU-GJZGRUSLSA-N 2 2 293.411 0.988 20 0 CCADLP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000866666711 615367565 /nfs/dbraw/zinc/36/75/65/615367565.db2.gz VKEBCSFFPYZPLU-GJZGRUSLSA-N 2 2 293.411 0.988 20 0 CCADLP CC[N@H+]1C[C@@H](CNC(=O)c2cccc3[nH+]ccn32)[C@H](O)C1 ZINC000958259138 615375367 /nfs/dbraw/zinc/37/53/67/615375367.db2.gz ZSPIBDOCVFOHCG-DGCLKSJQSA-N 2 2 288.351 0.377 20 0 CCADLP CC[N@@H+]1C[C@@H](CNC(=O)c2cccc3[nH+]ccn32)[C@H](O)C1 ZINC000958259138 615375369 /nfs/dbraw/zinc/37/53/69/615375369.db2.gz ZSPIBDOCVFOHCG-DGCLKSJQSA-N 2 2 288.351 0.377 20 0 CCADLP CCOC(=O)[C@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000932646976 615378519 /nfs/dbraw/zinc/37/85/19/615378519.db2.gz MMUXCMCYZDDTCF-QWHCGFSZSA-N 2 2 270.373 0.328 20 0 CCADLP CCOC(=O)[C@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000932646976 615378523 /nfs/dbraw/zinc/37/85/23/615378523.db2.gz MMUXCMCYZDDTCF-QWHCGFSZSA-N 2 2 270.373 0.328 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H]1CCC[NH2+]1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911750886 615381643 /nfs/dbraw/zinc/38/16/43/615381643.db2.gz GIBDDKSNOBHEOL-MJBXVCDLSA-N 2 2 283.416 0.744 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H]1CCC[NH2+]1)[N@H+]1CCO[C@H](CC)C1 ZINC000911750886 615381646 /nfs/dbraw/zinc/38/16/46/615381646.db2.gz GIBDDKSNOBHEOL-MJBXVCDLSA-N 2 2 283.416 0.744 20 0 CCADLP CCO[C@@H](CNC(=O)CCc1c[nH+]cn1C)C[NH+](C)C ZINC000831723216 615405499 /nfs/dbraw/zinc/40/54/99/615405499.db2.gz FILHLDWSFHQZGM-ZDUSSCGKSA-N 2 2 282.388 0.436 20 0 CCADLP CCO[C@@H](C[NH2+]Cc1ccc(C(N)=O)cc1)C[NH+](C)C ZINC000922756731 615410209 /nfs/dbraw/zinc/41/02/09/615410209.db2.gz MVRUQJISFXFWTA-AWEZNQCLSA-N 2 2 279.384 0.842 20 0 CCADLP CCO[C@@H]1COC[C@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925690790 615429162 /nfs/dbraw/zinc/42/91/62/615429162.db2.gz JQUAXZCUCVPSRC-WTPNQPAHSA-N 2 2 252.358 0.376 20 0 CCADLP CC[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963019454 615448684 /nfs/dbraw/zinc/44/86/84/615448684.db2.gz MLNXSKUUSKNNLS-CXTNEJHOSA-N 2 2 276.384 0.976 20 0 CCADLP CC[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963019454 615448685 /nfs/dbraw/zinc/44/86/85/615448685.db2.gz MLNXSKUUSKNNLS-CXTNEJHOSA-N 2 2 276.384 0.976 20 0 CCADLP CC[N@H+]1[C@H](C)CN(C(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)C[C@@H]1C ZINC000864084451 615450218 /nfs/dbraw/zinc/45/02/18/615450218.db2.gz SHZIOEVKILIYGZ-SFDCQRBFSA-N 2 2 283.416 0.383 20 0 CCADLP CC[N@@H+]1[C@H](C)CN(C(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)C[C@@H]1C ZINC000864084451 615450220 /nfs/dbraw/zinc/45/02/20/615450220.db2.gz SHZIOEVKILIYGZ-SFDCQRBFSA-N 2 2 283.416 0.383 20 0 CCADLP CC[NH+]1[C@H](C)CN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)C[C@@H]1C ZINC000864084451 615450221 /nfs/dbraw/zinc/45/02/21/615450221.db2.gz SHZIOEVKILIYGZ-SFDCQRBFSA-N 2 2 283.416 0.383 20 0 CCADLP CC[NH+]1[C@H](C)CN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)C[C@@H]1C ZINC000864084451 615450223 /nfs/dbraw/zinc/45/02/23/615450223.db2.gz SHZIOEVKILIYGZ-SFDCQRBFSA-N 2 2 283.416 0.383 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000925583335 615477956 /nfs/dbraw/zinc/47/79/56/615477956.db2.gz FKJXWAGGVWRRFC-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CC[N@@H+]1C ZINC000925434122 615478252 /nfs/dbraw/zinc/47/82/52/615478252.db2.gz YOGJQHCFDRSEIE-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CC[N@H+]1C ZINC000925434122 615478253 /nfs/dbraw/zinc/47/82/53/615478253.db2.gz YOGJQHCFDRSEIE-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000914314722 615478668 /nfs/dbraw/zinc/47/86/68/615478668.db2.gz BQVFYHJTQKIMEY-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000914314722 615478670 /nfs/dbraw/zinc/47/86/70/615478670.db2.gz BQVFYHJTQKIMEY-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CCO[C@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C[NH+](C)C ZINC000831714710 615482970 /nfs/dbraw/zinc/48/29/70/615482970.db2.gz XWGKKOLCVZZIGA-DGCLKSJQSA-N 2 2 282.388 0.671 20 0 CCADLP CCO[C@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C[NH+](C)C ZINC000831714710 615482972 /nfs/dbraw/zinc/48/29/72/615482972.db2.gz XWGKKOLCVZZIGA-DGCLKSJQSA-N 2 2 282.388 0.671 20 0 CCADLP CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925680709 615485225 /nfs/dbraw/zinc/48/52/25/615485225.db2.gz KXHNYBGDTWFYQK-VHSXEESVSA-N 2 2 263.407 0.044 20 0 CCADLP CC[C@@H]([NH2+]C[C@@]1(OC)CCS(=O)(=O)C1)[C@@H]1CCC[NH2+]1 ZINC000925827929 615535979 /nfs/dbraw/zinc/53/59/79/615535979.db2.gz YHVRQDIFFYQINR-AGIUHOORSA-N 2 2 290.429 0.310 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccnc(C[NH3+])c1 ZINC000877434805 615569189 /nfs/dbraw/zinc/56/91/89/615569189.db2.gz UWHNABOCKUBLQC-CQSZACIVSA-N 2 2 292.383 0.381 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)c1ccnc(C[NH3+])c1 ZINC000877434805 615569190 /nfs/dbraw/zinc/56/91/90/615569190.db2.gz UWHNABOCKUBLQC-CQSZACIVSA-N 2 2 292.383 0.381 20 0 CCADLP CC[C@H](C)[C@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)C(N)=O ZINC000887056067 615699117 /nfs/dbraw/zinc/69/91/17/615699117.db2.gz YVNFURXDVOPERF-SRVKXCTJSA-N 2 2 259.394 0.177 20 0 CCADLP CC[C@H](C)[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)C(N)=O ZINC000887056067 615699119 /nfs/dbraw/zinc/69/91/19/615699119.db2.gz YVNFURXDVOPERF-SRVKXCTJSA-N 2 2 259.394 0.177 20 0 CCADLP CC[C@H](CO)Nc1cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)nc[nH+]1 ZINC000893549426 615738834 /nfs/dbraw/zinc/73/88/34/615738834.db2.gz TWGLZUUTXNXPIP-FRRDWIJNSA-N 2 2 291.399 0.657 20 0 CCADLP CC[C@H](CO)Nc1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)nc[nH+]1 ZINC000893549426 615738837 /nfs/dbraw/zinc/73/88/37/615738837.db2.gz TWGLZUUTXNXPIP-FRRDWIJNSA-N 2 2 291.399 0.657 20 0 CCADLP CC[C@H]([NH3+])C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000844187273 615790760 /nfs/dbraw/zinc/79/07/60/615790760.db2.gz DZEXXQISKAGZCT-JTQLQIEISA-N 2 2 263.332 0.912 20 0 CCADLP CC[C@H]([NH3+])C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000844187273 615790762 /nfs/dbraw/zinc/79/07/62/615790762.db2.gz DZEXXQISKAGZCT-JTQLQIEISA-N 2 2 263.332 0.912 20 0 CCADLP CCc1nnc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)s1 ZINC000912386898 615805592 /nfs/dbraw/zinc/80/55/92/615805592.db2.gz KARJKBMCZUOWID-UHFFFAOYSA-N 2 2 299.444 0.714 20 0 CCADLP CCc1nnc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)s1 ZINC000912386898 615805595 /nfs/dbraw/zinc/80/55/95/615805595.db2.gz KARJKBMCZUOWID-UHFFFAOYSA-N 2 2 299.444 0.714 20 0 CCADLP CC[C@H]([NH2+]C[C@H](O)c1ccnn1C)[C@H]1CCCC[NH2+]1 ZINC000925891928 615818943 /nfs/dbraw/zinc/81/89/43/615818943.db2.gz YVKYLMGEPFDNAJ-SCRDCRAPSA-N 2 2 266.389 0.964 20 0 CCADLP CC[C@H]([NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1)[C@@H]1CCC[NH2+]1 ZINC000902504047 615823627 /nfs/dbraw/zinc/82/36/27/615823627.db2.gz ZVEZNOXAKWCVCG-AGIUHOORSA-N 2 2 291.399 0.881 20 0 CCADLP C[NH+](C)C1(CNC(=O)Cc2[nH]cc[nH+]2)CCCC1 ZINC000816869359 615847082 /nfs/dbraw/zinc/84/70/82/615847082.db2.gz OROREYNPOWVUEL-UHFFFAOYSA-N 2 2 250.346 0.943 20 0 CCADLP C[NH+](C)CC1(O)CC[NH+](Cc2cn(CC3CC3)nn2)CC1 ZINC000931481299 615872708 /nfs/dbraw/zinc/87/27/08/615872708.db2.gz PJSAEFMSPZRYED-UHFFFAOYSA-N 2 2 293.415 0.577 20 0 CCADLP C[NH+](C)CC1(O)CC[NH+](Cc2ncnn2C(C)(C)C)CC1 ZINC000931482119 615872797 /nfs/dbraw/zinc/87/27/97/615872797.db2.gz PGDHDHJTORDBFS-UHFFFAOYSA-N 2 2 295.431 0.922 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCC=CO1 ZINC000855415198 615879478 /nfs/dbraw/zinc/87/94/78/615879478.db2.gz UHLFCYCBTZGDHF-ZDUSSCGKSA-N 2 2 269.389 0.679 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCC=CO1 ZINC000855415198 615879480 /nfs/dbraw/zinc/87/94/80/615879480.db2.gz UHLFCYCBTZGDHF-ZDUSSCGKSA-N 2 2 269.389 0.679 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCn1cc([C@H]2CCCC[NH2+]2)nn1 ZINC000899730758 615880121 /nfs/dbraw/zinc/88/01/21/615880121.db2.gz NVPBETSATNCUDS-CQSZACIVSA-N 3 2 294.447 0.976 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCn1cc([C@H]2CCCC[NH2+]2)nn1 ZINC000899730758 615880122 /nfs/dbraw/zinc/88/01/22/615880122.db2.gz NVPBETSATNCUDS-CQSZACIVSA-N 3 2 294.447 0.976 20 0 CCADLP C[NH+](C)CCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000821584711 615883776 /nfs/dbraw/zinc/88/37/76/615883776.db2.gz PHPGWXLTZXZVPD-UHFFFAOYSA-N 2 2 260.345 0.908 20 0 CCADLP CC[C@H]1CCN(C(=[NH2+])NCC[N@H+](C)CCOC)C1 ZINC000864456330 615887195 /nfs/dbraw/zinc/88/71/95/615887195.db2.gz GMZRHXQCYMXEPZ-LBPRGKRZSA-N 2 2 256.394 0.821 20 0 CCADLP CC[C@H]1CCN(C(=[NH2+])NCC[N@@H+](C)CCOC)C1 ZINC000864456330 615887198 /nfs/dbraw/zinc/88/71/98/615887198.db2.gz GMZRHXQCYMXEPZ-LBPRGKRZSA-N 2 2 256.394 0.821 20 0 CCADLP C[NH+](C)CCC[C@H]1C[N@H+](CCN2CCOC2=O)CCO1 ZINC000852761408 615888791 /nfs/dbraw/zinc/88/87/91/615888791.db2.gz VRXNTYDVFGMOLD-ZDUSSCGKSA-N 2 2 285.388 0.481 20 0 CCADLP C[NH+](C)CCC[C@H]1C[N@@H+](CCN2CCOC2=O)CCO1 ZINC000852761408 615888792 /nfs/dbraw/zinc/88/87/92/615888792.db2.gz VRXNTYDVFGMOLD-ZDUSSCGKSA-N 2 2 285.388 0.481 20 0 CCADLP CC[C@H]1C[N@H+](CC(=O)NCc2ccccn2)CC[C@@H]1[NH3+] ZINC000844222839 615912448 /nfs/dbraw/zinc/91/24/48/615912448.db2.gz MGQWSBMYTNOLNE-JSGCOSHPSA-N 2 2 276.384 0.757 20 0 CCADLP CC[C@H]1C[N@@H+](CC(=O)NCc2ccccn2)CC[C@@H]1[NH3+] ZINC000844222839 615912451 /nfs/dbraw/zinc/91/24/51/615912451.db2.gz MGQWSBMYTNOLNE-JSGCOSHPSA-N 2 2 276.384 0.757 20 0 CCADLP C[NH+](C)CC[C@H](N)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000870979762 615912894 /nfs/dbraw/zinc/91/28/94/615912894.db2.gz RIKPBDXAVZREJU-GJZGRUSLSA-N 2 2 290.411 0.568 20 0 CCADLP C[NH+](C)CC[C@H](N)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000870979762 615912896 /nfs/dbraw/zinc/91/28/96/615912896.db2.gz RIKPBDXAVZREJU-GJZGRUSLSA-N 2 2 290.411 0.568 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000868412941 615915986 /nfs/dbraw/zinc/91/59/86/615915986.db2.gz MHHNGQRVBDMLPM-UHFFFAOYSA-N 2 2 276.344 0.108 20 0 CCADLP CC[C@H]1C[C@H](CN2CC[NH2+]CC[NH2+]CC2)CCO1 ZINC000904396001 615934829 /nfs/dbraw/zinc/93/48/29/615934829.db2.gz BJSDGZVRNLYTHC-KGLIPLIRSA-N 2 2 255.406 0.686 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@@H](O)c2ccccn2)C1 ZINC000878865871 615937569 /nfs/dbraw/zinc/93/75/69/615937569.db2.gz OPZMEUZBOAZPIM-CABCVRRESA-N 2 2 279.384 0.504 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@@H](O)c2ccccn2)C1 ZINC000878865871 615937571 /nfs/dbraw/zinc/93/75/71/615937571.db2.gz OPZMEUZBOAZPIM-CABCVRRESA-N 2 2 279.384 0.504 20 0 CCADLP Cn1c2ccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc2oc1=O ZINC000816557774 615951778 /nfs/dbraw/zinc/95/17/78/615951778.db2.gz AWCZSEHZLDZXHH-OAHLLOKOSA-N 2 2 293.367 0.534 20 0 CCADLP CC[C@](O)(C[NH2+]C[C@@H](O)C[NH+](C)C)C(F)(F)F ZINC000905342882 615968673 /nfs/dbraw/zinc/96/86/73/615968673.db2.gz COULSSIMVJIFDR-BDAKNGLRSA-N 2 2 258.284 0.202 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900958087 615978251 /nfs/dbraw/zinc/97/82/51/615978251.db2.gz KVEGKIOEIOICSO-CMPLNLGQSA-N 2 2 250.346 0.941 20 0 CCADLP CCn1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)nn1 ZINC000883998280 615984818 /nfs/dbraw/zinc/98/48/18/615984818.db2.gz DPODAKLGVZFWSB-UHFFFAOYSA-N 2 2 293.415 0.842 20 0 CCADLP C[NH+](C)[C@@]1(C[NH2+]C[C@H](O)C2(O)CCCC2)CCSC1 ZINC000905147563 615987213 /nfs/dbraw/zinc/98/72/13/615987213.db2.gz KTBUUBUJAOJAPR-QWHCGFSZSA-N 2 2 288.457 0.679 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H]3CCC4(COC4)O3)C[C@H]21 ZINC000931277386 615997818 /nfs/dbraw/zinc/99/78/18/615997818.db2.gz OWRVCZPIERYKSE-WUHRBBMRSA-N 2 2 252.358 0.426 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CCC4(COC4)O3)C[C@H]21 ZINC000931277386 615997819 /nfs/dbraw/zinc/99/78/19/615997819.db2.gz OWRVCZPIERYKSE-WUHRBBMRSA-N 2 2 252.358 0.426 20 0 CCADLP CCn1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c(C)n1 ZINC000893605104 615998656 /nfs/dbraw/zinc/99/86/56/615998656.db2.gz CHECRPJSVPCUNH-CYBMUJFWSA-N 2 2 252.362 0.368 20 0 CCADLP CCn1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c(C)n1 ZINC000893605104 615998659 /nfs/dbraw/zinc/99/86/59/615998659.db2.gz CHECRPJSVPCUNH-CYBMUJFWSA-N 2 2 252.362 0.368 20 0 CCADLP CN(C)c1cc(NCC[N@H+]2CC[C@H](O)C2)nc[nH+]1 ZINC000894832116 616010211 /nfs/dbraw/zinc/01/02/11/616010211.db2.gz AWZUSIZHJRFOCX-JTQLQIEISA-N 2 2 251.334 0.021 20 0 CCADLP CN(C)c1nccc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)n1 ZINC000925632599 616036807 /nfs/dbraw/zinc/03/68/07/616036807.db2.gz BHMXCGRDBAMBKM-NWDGAFQWSA-N 2 2 261.373 0.902 20 0 CCADLP C[N@@H+](CC(=O)N1CCC[NH+](CCF)CC1)C1CCC1 ZINC000981341045 616043559 /nfs/dbraw/zinc/04/35/59/616043559.db2.gz QZFGKBYKSUZGEL-UHFFFAOYSA-N 2 2 271.380 0.975 20 0 CCADLP C[NH+](CC(=O)N1CCC[N@H+](CCF)CC1)C1CCC1 ZINC000981341045 616043560 /nfs/dbraw/zinc/04/35/60/616043560.db2.gz QZFGKBYKSUZGEL-UHFFFAOYSA-N 2 2 271.380 0.975 20 0 CCADLP C[NH+](CC(=O)N1CCC[N@@H+](CCF)CC1)C1CCC1 ZINC000981341045 616043561 /nfs/dbraw/zinc/04/35/61/616043561.db2.gz QZFGKBYKSUZGEL-UHFFFAOYSA-N 2 2 271.380 0.975 20 0 CCADLP C[N@H+](CCN1CC[NH2+]CC1)C[C@H]([NH3+])CCC(C)(C)C ZINC000904300091 616088309 /nfs/dbraw/zinc/08/83/09/616088309.db2.gz VXALCPQGWXSOIV-CQSZACIVSA-N 3 2 270.465 0.977 20 0 CCADLP C[N@@H+](CCN1CC[NH2+]CC1)C[C@H]([NH3+])CCC(C)(C)C ZINC000904300091 616088311 /nfs/dbraw/zinc/08/83/11/616088311.db2.gz VXALCPQGWXSOIV-CQSZACIVSA-N 3 2 270.465 0.977 20 0 CCADLP C[N@H+](CCNC(=O)/C=C\C[NH+]1CCOCC1)C1CCCC1 ZINC000865178608 616090711 /nfs/dbraw/zinc/09/07/11/616090711.db2.gz AIHOEQLKLLEFPX-DAXSKMNVSA-N 2 2 295.427 0.865 20 0 CCADLP C[N@@H+](CCNC(=O)/C=C\C[NH+]1CCOCC1)C1CCCC1 ZINC000865178608 616090712 /nfs/dbraw/zinc/09/07/12/616090712.db2.gz AIHOEQLKLLEFPX-DAXSKMNVSA-N 2 2 295.427 0.865 20 0 CCADLP C[NH+]1CCC(ONC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000846650203 616176050 /nfs/dbraw/zinc/17/60/50/616176050.db2.gz SXHQBUZHQRYQTI-LLVKDONJSA-N 2 2 278.356 0.588 20 0 CCADLP C[NH+]1CCC2(CC1)C[N@H+](CC1OCCO1)CCO2 ZINC000830648012 616177127 /nfs/dbraw/zinc/17/71/27/616177127.db2.gz UDOFBMUJCRMIGF-UHFFFAOYSA-N 2 2 256.346 0.156 20 0 CCADLP C[NH+]1CCC2(CC1)C[N@@H+](CC1OCCO1)CCO2 ZINC000830648012 616177128 /nfs/dbraw/zinc/17/71/28/616177128.db2.gz UDOFBMUJCRMIGF-UHFFFAOYSA-N 2 2 256.346 0.156 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000931622362 616199261 /nfs/dbraw/zinc/19/92/61/616199261.db2.gz OVBZGVICOJEQOB-GZBLMMOJSA-N 2 2 266.385 0.959 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000931622362 616199262 /nfs/dbraw/zinc/19/92/62/616199262.db2.gz OVBZGVICOJEQOB-GZBLMMOJSA-N 2 2 266.385 0.959 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000931622362 616199263 /nfs/dbraw/zinc/19/92/63/616199263.db2.gz OVBZGVICOJEQOB-GZBLMMOJSA-N 2 2 266.385 0.959 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000931622362 616199264 /nfs/dbraw/zinc/19/92/64/616199264.db2.gz OVBZGVICOJEQOB-GZBLMMOJSA-N 2 2 266.385 0.959 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000901119532 616200918 /nfs/dbraw/zinc/20/09/18/616200918.db2.gz RPQVLRXHHUAREX-OAHLLOKOSA-N 2 2 294.399 0.578 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000901119532 616200919 /nfs/dbraw/zinc/20/09/19/616200919.db2.gz RPQVLRXHHUAREX-OAHLLOKOSA-N 2 2 294.399 0.578 20 0 CCADLP CN(C(=O)NCCn1cc[nH+]c1)[C@H]1CCC[N@H+](C)C1 ZINC000891555255 616205698 /nfs/dbraw/zinc/20/56/98/616205698.db2.gz JJXPUYCDCACELJ-LBPRGKRZSA-N 2 2 265.361 0.619 20 0 CCADLP CN(C(=O)NCCn1cc[nH+]c1)[C@H]1CCC[N@@H+](C)C1 ZINC000891555255 616205699 /nfs/dbraw/zinc/20/56/99/616205699.db2.gz JJXPUYCDCACELJ-LBPRGKRZSA-N 2 2 265.361 0.619 20 0 CCADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)NC23CC[NH+](CC2)C3)[nH]n1 ZINC000913635784 616215050 /nfs/dbraw/zinc/21/50/50/616215050.db2.gz OHIMCNOQTSQBFS-ZDUSSCGKSA-N 2 2 289.383 0.754 20 0 CCADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)NC23CC[NH+](CC2)C3)[nH]n1 ZINC000913635784 616215051 /nfs/dbraw/zinc/21/50/51/616215051.db2.gz OHIMCNOQTSQBFS-ZDUSSCGKSA-N 2 2 289.383 0.754 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000872029198 616223793 /nfs/dbraw/zinc/22/37/93/616223793.db2.gz OYTUTZCUUZWCCF-ZIAGYGMSSA-N 2 2 297.443 0.944 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000883652466 616226073 /nfs/dbraw/zinc/22/60/73/616226073.db2.gz OWKJOVQPTTZJNJ-UHFFFAOYSA-N 2 2 265.361 0.656 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000883652466 616226074 /nfs/dbraw/zinc/22/60/74/616226074.db2.gz OWKJOVQPTTZJNJ-UHFFFAOYSA-N 2 2 265.361 0.656 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C[C@H]1CO ZINC000913547627 616228401 /nfs/dbraw/zinc/22/84/01/616228401.db2.gz SKHHRWYBGLVPDO-LSDHHAIUSA-N 2 2 295.427 0.528 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C[C@H]1CO ZINC000913547627 616228402 /nfs/dbraw/zinc/22/84/02/616228402.db2.gz SKHHRWYBGLVPDO-LSDHHAIUSA-N 2 2 295.427 0.528 20 0 CCADLP C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[C@H]1CO ZINC000913547627 616228403 /nfs/dbraw/zinc/22/84/03/616228403.db2.gz SKHHRWYBGLVPDO-LSDHHAIUSA-N 2 2 295.427 0.528 20 0 CCADLP C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1CO ZINC000913547627 616228404 /nfs/dbraw/zinc/22/84/04/616228404.db2.gz SKHHRWYBGLVPDO-LSDHHAIUSA-N 2 2 295.427 0.528 20 0 CCADLP CN1CCOC[C@]1(CO)C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926891692 616250746 /nfs/dbraw/zinc/25/07/46/616250746.db2.gz IZQWNHLOUALKKI-ARFHVFGLSA-N 2 2 297.443 0.286 20 0 CCADLP CN1CCOC[C@]1(CO)C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926891692 616250747 /nfs/dbraw/zinc/25/07/47/616250747.db2.gz IZQWNHLOUALKKI-ARFHVFGLSA-N 2 2 297.443 0.286 20 0 CCADLP C[NH+]1CCC[C@H]2[C@H]1CCN2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000874838623 616258112 /nfs/dbraw/zinc/25/81/12/616258112.db2.gz QGEOFTHKYBUZKL-AGIUHOORSA-N 2 2 267.373 0.012 20 0 CCADLP C[NH+]1CCC[C@H]2[C@H]1CCN2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000874838623 616258113 /nfs/dbraw/zinc/25/81/13/616258113.db2.gz QGEOFTHKYBUZKL-AGIUHOORSA-N 2 2 267.373 0.012 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)C1 ZINC000874838623 616258114 /nfs/dbraw/zinc/25/81/14/616258114.db2.gz QGEOFTHKYBUZKL-AGIUHOORSA-N 2 2 267.373 0.012 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)C1 ZINC000874838623 616258115 /nfs/dbraw/zinc/25/81/15/616258115.db2.gz QGEOFTHKYBUZKL-AGIUHOORSA-N 2 2 267.373 0.012 20 0 CCADLP C[NH+]1CCC[C@@H]1c1cc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)[nH]n1 ZINC000895819673 616270579 /nfs/dbraw/zinc/27/05/79/616270579.db2.gz YTTOGQNTCGLUQS-SMDDNHRTSA-N 2 2 291.399 0.858 20 0 CCADLP C[NH+]1CCC[C@@H]1c1cc(C(=O)NC[C@@H]2CC[N@H+](C)C2)[nH]n1 ZINC000895819673 616270580 /nfs/dbraw/zinc/27/05/80/616270580.db2.gz YTTOGQNTCGLUQS-SMDDNHRTSA-N 2 2 291.399 0.858 20 0 CCADLP C[NH+]1CC[C@@H](CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC000895819673 616270581 /nfs/dbraw/zinc/27/05/81/616270581.db2.gz YTTOGQNTCGLUQS-SMDDNHRTSA-N 2 2 291.399 0.858 20 0 CCADLP C[NH+]1CC[C@@H](CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC000895819673 616270582 /nfs/dbraw/zinc/27/05/82/616270582.db2.gz YTTOGQNTCGLUQS-SMDDNHRTSA-N 2 2 291.399 0.858 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC000812331012 616316762 /nfs/dbraw/zinc/31/67/62/616316762.db2.gz FBEVBLTUTAJAJT-NEPJUHHUSA-N 2 2 262.357 0.373 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC000812331012 616316769 /nfs/dbraw/zinc/31/67/69/616316769.db2.gz FBEVBLTUTAJAJT-NEPJUHHUSA-N 2 2 262.357 0.373 20 0 CCADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCCCn1cc[nH+]c1 ZINC000900696116 616344380 /nfs/dbraw/zinc/34/43/80/616344380.db2.gz QOYBXRXUUBPGMW-GXTWGEPZSA-N 2 2 280.372 0.235 20 0 CCADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCCCn1cc[nH+]c1 ZINC000900696116 616344384 /nfs/dbraw/zinc/34/43/84/616344384.db2.gz QOYBXRXUUBPGMW-GXTWGEPZSA-N 2 2 280.372 0.235 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000949042546 616363355 /nfs/dbraw/zinc/36/33/55/616363355.db2.gz MCGMXKGIFQOXMU-HNNXBMFYSA-N 2 2 297.443 0.897 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000949042546 616363359 /nfs/dbraw/zinc/36/33/59/616363359.db2.gz MCGMXKGIFQOXMU-HNNXBMFYSA-N 2 2 297.443 0.897 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)NCC(C)(C)n2cc[nH+]c2)C1 ZINC000898901548 616368671 /nfs/dbraw/zinc/36/86/71/616368671.db2.gz BIUDMZVUHXPVBC-NSHDSACASA-N 2 2 250.346 0.686 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)NCC(C)(C)n2cc[nH+]c2)C1 ZINC000898901548 616368677 /nfs/dbraw/zinc/36/86/77/616368677.db2.gz BIUDMZVUHXPVBC-NSHDSACASA-N 2 2 250.346 0.686 20 0 CCADLP COCC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000977450492 616436576 /nfs/dbraw/zinc/43/65/76/616436576.db2.gz FLLYMCPQAJUYHQ-CYBMUJFWSA-N 2 2 294.399 0.436 20 0 CCADLP COCC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000977450492 616436578 /nfs/dbraw/zinc/43/65/78/616436578.db2.gz FLLYMCPQAJUYHQ-CYBMUJFWSA-N 2 2 294.399 0.436 20 0 CCADLP Cn1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1=O ZINC000879571054 616445122 /nfs/dbraw/zinc/44/51/22/616445122.db2.gz MFHQIGBKBHOLKM-UONOGXRCSA-N 2 2 261.369 0.911 20 0 CCADLP Cn1ccc(C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)cc1=O ZINC000879571054 616445125 /nfs/dbraw/zinc/44/51/25/616445125.db2.gz MFHQIGBKBHOLKM-UONOGXRCSA-N 2 2 261.369 0.911 20 0 CCADLP Cn1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1=O ZINC000879571054 616445128 /nfs/dbraw/zinc/44/51/28/616445128.db2.gz MFHQIGBKBHOLKM-UONOGXRCSA-N 2 2 261.369 0.911 20 0 CCADLP Cn1ccc(C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1=O ZINC000879571054 616445131 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C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2CN2CC3(COC3)CC2=O)C1 ZINC000872592594 616450033 /nfs/dbraw/zinc/45/00/33/616450033.db2.gz OVXBNFWMIMXJKS-KGLIPLIRSA-N 2 2 293.411 0.609 20 0 CCADLP COCC[N@@H+]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC000977534756 616453053 /nfs/dbraw/zinc/45/30/53/616453053.db2.gz MHUODXQDRBQJCL-ZDUSSCGKSA-N 2 2 294.399 0.734 20 0 CCADLP COCC[N@H+]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC000977534756 616453056 /nfs/dbraw/zinc/45/30/56/616453056.db2.gz MHUODXQDRBQJCL-ZDUSSCGKSA-N 2 2 294.399 0.734 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925639154 616456400 /nfs/dbraw/zinc/45/64/00/616456400.db2.gz KDTAHZYZXWXYCW-OBJOEFQTSA-N 3 2 255.406 0.549 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925639154 616456403 /nfs/dbraw/zinc/45/64/03/616456403.db2.gz KDTAHZYZXWXYCW-OBJOEFQTSA-N 3 2 255.406 0.549 20 0 CCADLP COC1(OC)CC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000924752278 616483064 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20 0 CCADLP CN(C)c1cc(N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)nc[nH+]1 ZINC000896911956 616512630 /nfs/dbraw/zinc/51/26/30/616512630.db2.gz JMWRMPHMNUJJDV-SMDDNHRTSA-N 2 2 261.373 0.931 20 0 CCADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)C[C@H]1COCC[NH2+]1 ZINC000867998978 616519167 /nfs/dbraw/zinc/51/91/67/616519167.db2.gz NYDBTNXWQLRJPS-DZGCQCFKSA-N 2 2 289.379 0.668 20 0 CCADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)C[C@H]1COCC[NH2+]1 ZINC000867998978 616519171 /nfs/dbraw/zinc/51/91/71/616519171.db2.gz NYDBTNXWQLRJPS-DZGCQCFKSA-N 2 2 289.379 0.668 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CC23CC(O)C3)CC1 ZINC000897849317 616530088 /nfs/dbraw/zinc/53/00/88/616530088.db2.gz WCGCZQUXBBQCRS-BBBYJDLNSA-N 2 2 296.411 0.907 20 0 CCADLP CNC(=[NH2+])NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000848990404 616533537 /nfs/dbraw/zinc/53/35/37/616533537.db2.gz IIORCVYGEPPNSD-UHFFFAOYSA-N 2 2 261.373 0.552 20 0 CCADLP CNC(=O)C1([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CCCC1 ZINC000809963232 616549831 /nfs/dbraw/zinc/54/98/31/616549831.db2.gz SJDAULQDHMPBBS-LBPRGKRZSA-N 2 2 269.389 0.090 20 0 CCADLP CNC(=O)C1([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CCCC1 ZINC000809963232 616549834 /nfs/dbraw/zinc/54/98/34/616549834.db2.gz SJDAULQDHMPBBS-LBPRGKRZSA-N 2 2 269.389 0.090 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[N@@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903806076 616625546 /nfs/dbraw/zinc/62/55/46/616625546.db2.gz UMKYNGCMGZGDDH-GBJTYRQASA-N 2 2 286.416 0.602 20 0 CCADLP COC(=O)C[C@@H]1C[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903753850 616666668 /nfs/dbraw/zinc/66/66/68/616666668.db2.gz YSOCTGZLVGMJRQ-NFAWXSAZSA-N 2 2 298.383 0.019 20 0 CCADLP COC(=O)C[C@@H]1C[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903753850 616666671 /nfs/dbraw/zinc/66/66/71/616666671.db2.gz YSOCTGZLVGMJRQ-NFAWXSAZSA-N 2 2 298.383 0.019 20 0 CCADLP COC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962293067 616817016 /nfs/dbraw/zinc/81/70/16/616817016.db2.gz NAMDYZJDYSJMET-PBOSXPJTSA-N 2 2 292.383 0.044 20 0 CCADLP COC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962293067 616817018 /nfs/dbraw/zinc/81/70/18/616817018.db2.gz NAMDYZJDYSJMET-PBOSXPJTSA-N 2 2 292.383 0.044 20 0 CCADLP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902435533 616843869 /nfs/dbraw/zinc/84/38/69/616843869.db2.gz USWOZZWDFFYZDW-BPLDGKMQSA-N 3 2 263.385 0.955 20 0 CCADLP COCCC[N@H+](C)CC[NH2+][C@H]1CC[C@@H](C(=O)OC)C1 ZINC000886532910 616877468 /nfs/dbraw/zinc/87/74/68/616877468.db2.gz QVOFITLIOKPBCD-OLZOCXBDSA-N 2 2 272.389 0.886 20 0 CCADLP COCCC[N@@H+](C)CC[NH2+][C@H]1CC[C@@H](C(=O)OC)C1 ZINC000886532910 616877473 /nfs/dbraw/zinc/87/74/73/616877473.db2.gz QVOFITLIOKPBCD-OLZOCXBDSA-N 2 2 272.389 0.886 20 0 CCADLP COCCC[N@H+](C)CC[NH2+][C@H](C)C[C@@H]1CCC(=O)N1 ZINC000925140782 616877680 /nfs/dbraw/zinc/87/76/80/616877680.db2.gz AIQZGXBDBRTTQD-OLZOCXBDSA-N 2 2 271.405 0.602 20 0 CCADLP COCCC[N@@H+](C)CC[NH2+][C@H](C)C[C@@H]1CCC(=O)N1 ZINC000925140782 616877686 /nfs/dbraw/zinc/87/76/86/616877686.db2.gz AIQZGXBDBRTTQD-OLZOCXBDSA-N 2 2 271.405 0.602 20 0 CCADLP COCc1nc(NCC[N@H+](C)CCC[NH+](C)C)cc(=O)[nH]1 ZINC000894521381 616943234 /nfs/dbraw/zinc/94/32/34/616943234.db2.gz ONJUZKPAFSOXSK-UHFFFAOYSA-N 2 2 297.403 0.624 20 0 CCADLP COCc1nc(NCC[N@@H+](C)CCC[NH+](C)C)cc(=O)[nH]1 ZINC000894521381 616943236 /nfs/dbraw/zinc/94/32/36/616943236.db2.gz ONJUZKPAFSOXSK-UHFFFAOYSA-N 2 2 297.403 0.624 20 0 CCADLP COCC[N@H+](C)CCC[NH2+][C@@H]1CCC1(OC)OC ZINC000924653495 616954289 /nfs/dbraw/zinc/95/42/89/616954289.db2.gz KRJCHTWJHMDYFK-GFCCVEGCSA-N 2 2 260.378 0.696 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCC1(OC)OC ZINC000924653495 616954293 /nfs/dbraw/zinc/95/42/93/616954293.db2.gz KRJCHTWJHMDYFK-GFCCVEGCSA-N 2 2 260.378 0.696 20 0 CCADLP CON(C)C(=O)CC[NH2+]CCCCn1cc[nH+]c1 ZINC000819058250 617013925 /nfs/dbraw/zinc/01/39/25/617013925.db2.gz GXUJIYUGALVRKN-UHFFFAOYSA-N 2 2 254.334 0.663 20 0 CCADLP CON(C)C(=O)CC[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000849325754 617015029 /nfs/dbraw/zinc/01/50/29/617015029.db2.gz RIZKRESASKKVDI-NSHDSACASA-N 2 2 257.378 0.859 20 0 CCADLP CON(C)C(=O)CC[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000849325754 617015031 /nfs/dbraw/zinc/01/50/31/617015031.db2.gz RIZKRESASKKVDI-NSHDSACASA-N 2 2 257.378 0.859 20 0 CCADLP CON(C)C(=O)CC[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000818953336 617018831 /nfs/dbraw/zinc/01/88/31/617018831.db2.gz GTAXZIVLXFVLGV-GFCCVEGCSA-N 2 2 257.378 0.860 20 0 CCADLP COC[C@@]1(C(=O)Nc2ccc3[nH+]ccn3c2)C[NH2+]CCO1 ZINC000876766277 617035363 /nfs/dbraw/zinc/03/53/63/617035363.db2.gz GVXIQFUDAVWJJR-CQSZACIVSA-N 2 2 290.323 0.278 20 0 CCADLP CON1CCC([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000926449829 617088595 /nfs/dbraw/zinc/08/85/95/617088595.db2.gz INAZZQLVTGQICP-LLVKDONJSA-N 2 2 250.346 0.882 20 0 CCADLP CON1CC[C@H]([N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000930601546 617097971 /nfs/dbraw/zinc/09/79/71/617097971.db2.gz IGTIVBOIAQOEFM-GXTWGEPZSA-N 2 2 267.373 0.566 20 0 CCADLP CON1CC[C@H]([N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000930601546 617097973 /nfs/dbraw/zinc/09/79/73/617097973.db2.gz IGTIVBOIAQOEFM-GXTWGEPZSA-N 2 2 267.373 0.566 20 0 CCADLP CON1CC[C@H]([NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)C1=O ZINC000930601546 617097975 /nfs/dbraw/zinc/09/79/75/617097975.db2.gz IGTIVBOIAQOEFM-GXTWGEPZSA-N 2 2 267.373 0.566 20 0 CCADLP CON1CC[C@H]([NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000930601546 617097977 /nfs/dbraw/zinc/09/79/77/617097977.db2.gz IGTIVBOIAQOEFM-GXTWGEPZSA-N 2 2 267.373 0.566 20 0 CCADLP CO[C@](C)(CO)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000848560545 617127035 /nfs/dbraw/zinc/12/70/35/617127035.db2.gz NTDCCHIEQZHFMS-LBPRGKRZSA-N 2 2 273.402 0.692 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925550358 625404537 /nfs/dbraw/zinc/40/45/37/625404537.db2.gz RIMSVFDZNYTOSV-OLZOCXBDSA-N 3 2 254.422 0.352 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CC[C@@H]([NH2+]CCO)[C@H]2C1 ZINC001026406516 625434328 /nfs/dbraw/zinc/43/43/28/625434328.db2.gz ARLVQLKZQZIVIH-RWMBFGLXSA-N 2 2 292.383 0.080 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CC[C@@H]([NH2+]CCF)[C@H]2C1 ZINC001026432466 625448273 /nfs/dbraw/zinc/44/82/73/625448273.db2.gz SUTHBVKDVQLBLO-RWMBFGLXSA-N 2 2 280.347 0.679 20 0 CCADLP C[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000972040250 622599851 /nfs/dbraw/zinc/59/98/51/622599851.db2.gz OBXMFWPKRASKSI-OLZOCXBDSA-N 2 2 280.372 0.187 20 0 CCADLP C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000972040250 622599858 /nfs/dbraw/zinc/59/98/58/622599858.db2.gz OBXMFWPKRASKSI-OLZOCXBDSA-N 2 2 280.372 0.187 20 0 CCADLP C[C@H](CCCC[NH3+])NC(=O)NCc1c[nH+]cn1C ZINC000892133597 622603966 /nfs/dbraw/zinc/60/39/66/622603966.db2.gz GCJQYPLIIHFRKX-SNVBAGLBSA-N 2 2 253.350 0.737 20 0 CCADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000925692006 625590152 /nfs/dbraw/zinc/59/01/52/625590152.db2.gz NZCPBKQCDAODOK-VXGBXAGGSA-N 2 2 274.430 0.931 20 0 CCADLP C[N@H+](CCO)[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000972305107 622751018 /nfs/dbraw/zinc/75/10/18/622751018.db2.gz TXLVVJOLIGSMFA-RYUDHWBXSA-N 2 2 292.383 0.355 20 0 CCADLP C[N@@H+](CCO)[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000972305107 622751030 /nfs/dbraw/zinc/75/10/30/622751030.db2.gz TXLVVJOLIGSMFA-RYUDHWBXSA-N 2 2 292.383 0.355 20 0 CCADLP CON(C)C(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000091513218 622844924 /nfs/dbraw/zinc/84/49/24/622844924.db2.gz MEATZGWPLRLKHH-UHFFFAOYSA-N 2 2 252.318 0.540 20 0 CCADLP COC(C[NH+]1CCC([N@H+](C)CCCO)CC1)OC ZINC000161125475 623574873 /nfs/dbraw/zinc/57/48/73/623574873.db2.gz WOOVDPUKGKSZNI-UHFFFAOYSA-N 2 2 260.378 0.384 20 0 CCADLP COC(C[NH+]1CCC([N@@H+](C)CCCO)CC1)OC ZINC000161125475 623574880 /nfs/dbraw/zinc/57/48/80/623574880.db2.gz WOOVDPUKGKSZNI-UHFFFAOYSA-N 2 2 260.378 0.384 20 0 CCADLP C[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C[C@H]1C[NH3+] ZINC000310938622 623603826 /nfs/dbraw/zinc/60/38/26/623603826.db2.gz WCLCXXHZHWZSGD-MGPQQGTHSA-N 3 2 255.406 0.360 20 0 CCADLP C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C[C@H]1C[NH3+] ZINC000310938622 623603828 /nfs/dbraw/zinc/60/38/28/623603828.db2.gz WCLCXXHZHWZSGD-MGPQQGTHSA-N 3 2 255.406 0.360 20 0 CCADLP O=C(C[NH+]1CCCC1)N1CC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001019774885 623906425 /nfs/dbraw/zinc/90/64/25/623906425.db2.gz MEFNXDGQLXAQLB-NSHDSACASA-N 2 2 295.412 0.324 20 0 CCADLP Cc1nocc1C[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001020635210 624555824 /nfs/dbraw/zinc/55/58/24/624555824.db2.gz KVKCPJHQHVETKX-HAQNSBGRSA-N 2 2 289.339 0.686 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]Cc2ccns2)C1 ZINC000970103682 624602907 /nfs/dbraw/zinc/60/29/07/624602907.db2.gz RTSQHNFTAFOQQR-SNVBAGLBSA-N 2 2 291.380 0.799 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]2C[N@H+](CCO)CC[C@H]21 ZINC001021679928 624807866 /nfs/dbraw/zinc/80/78/66/624807866.db2.gz VAOQZNDAZCXTOU-GXTWGEPZSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]2C[N@@H+](CCO)CC[C@H]21 ZINC001021679928 624807867 /nfs/dbraw/zinc/80/78/67/624807867.db2.gz VAOQZNDAZCXTOU-GXTWGEPZSA-N 2 2 292.383 0.257 20 0 CCADLP CCOC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000069280085 624843533 /nfs/dbraw/zinc/84/35/33/624843533.db2.gz BCJZYGIHBSEJPN-HZSPNIEDSA-N 2 2 256.390 0.990 20 0 CCADLP CCOC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000069280085 624843534 /nfs/dbraw/zinc/84/35/34/624843534.db2.gz BCJZYGIHBSEJPN-HZSPNIEDSA-N 2 2 256.390 0.990 20 0 CCADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000891472673 624877791 /nfs/dbraw/zinc/87/77/91/624877791.db2.gz OTLLVKWXUCGBMV-RYUDHWBXSA-N 2 2 284.404 0.228 20 0 CCADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000891472673 624877793 /nfs/dbraw/zinc/87/77/93/624877793.db2.gz OTLLVKWXUCGBMV-RYUDHWBXSA-N 2 2 284.404 0.228 20 0 CCADLP C[C@@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](C)[NH+]1CCOCC1 ZINC000891515598 624881062 /nfs/dbraw/zinc/88/10/62/624881062.db2.gz BRROSJXBTAJLJX-SYQHCUMBSA-N 2 2 296.415 0.241 20 0 CCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1)C2 ZINC001022321157 624923361 /nfs/dbraw/zinc/92/33/61/624923361.db2.gz GAZRVIJQVKWOMC-SDDRHHMPSA-N 2 2 292.383 0.052 20 0 CCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCO)C1)CC2 ZINC001022321157 624923362 /nfs/dbraw/zinc/92/33/62/624923362.db2.gz GAZRVIJQVKWOMC-SDDRHHMPSA-N 2 2 292.383 0.052 20 0 CCADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000891817730 624936236 /nfs/dbraw/zinc/93/62/36/624936236.db2.gz BHHYQBCLTQJQJC-XUJVJEKNSA-N 2 2 289.383 0.782 20 0 CCADLP [NH3+]C[C@H]1CCCN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000891818476 624936661 /nfs/dbraw/zinc/93/66/61/624936661.db2.gz IYNBFRDQGTUDKB-WDEREUQCSA-N 2 2 263.345 0.331 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000892057030 625051478 /nfs/dbraw/zinc/05/14/78/625051478.db2.gz JKEGSAXHTRPZBR-ZDUSSCGKSA-N 2 2 265.361 0.609 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H](C[NH2+]Cc2cccnc2)C1 ZINC001027090988 625726519 /nfs/dbraw/zinc/72/65/19/625726519.db2.gz BHELATRYAGEAFW-AWEZNQCLSA-N 2 2 299.378 0.986 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[N@@H+](C[C@@H](C)O)CC1(C)C ZINC000977539814 625946442 /nfs/dbraw/zinc/94/64/42/625946442.db2.gz YHFFXDUIZJWDCT-MFKMUULPSA-N 2 2 294.399 0.468 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[N@H+](C[C@@H](C)O)CC1(C)C ZINC000977539814 625946449 /nfs/dbraw/zinc/94/64/49/625946449.db2.gz YHFFXDUIZJWDCT-MFKMUULPSA-N 2 2 294.399 0.468 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000977646684 625955754 /nfs/dbraw/zinc/95/57/54/625955754.db2.gz MZMBPKZIZZDRDI-RYUDHWBXSA-N 2 2 280.372 0.091 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000977646684 625955756 /nfs/dbraw/zinc/95/57/56/625955756.db2.gz MZMBPKZIZZDRDI-RYUDHWBXSA-N 2 2 280.372 0.091 20 0 CCADLP O=C(NCC1CC1)[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903431644 634561714 /nfs/dbraw/zinc/56/17/14/634561714.db2.gz TZFCBCQIJMQXFE-ZIAGYGMSSA-N 2 2 265.401 0.977 20 0 CCADLP O=C(NCC1CC1)[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903431644 634561724 /nfs/dbraw/zinc/56/17/24/634561724.db2.gz TZFCBCQIJMQXFE-ZIAGYGMSSA-N 2 2 265.401 0.977 20 0 CCADLP C[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)CS(C)(=O)=O ZINC000903470273 634572670 /nfs/dbraw/zinc/57/26/70/634572670.db2.gz JIIKYWSSOBYXMS-QWRGUYRKSA-N 2 2 260.403 0.541 20 0 CCADLP C[C@@H]1C[N@H+](Cc2[nH]nc3c2COCC3)CC[C@@H]1[NH3+] ZINC000903716838 634627785 /nfs/dbraw/zinc/62/77/85/634627785.db2.gz URLITDZHNXGQIZ-KOLCDFICSA-N 2 2 250.346 0.652 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2[nH]nc3c2COCC3)CC[C@@H]1[NH3+] ZINC000903716838 634627790 /nfs/dbraw/zinc/62/77/90/634627790.db2.gz URLITDZHNXGQIZ-KOLCDFICSA-N 2 2 250.346 0.652 20 0 CCADLP C[C@]1(C[NH3+])CC[N@H+](Cc2[nH]nc3c2COCC3)C1 ZINC000903746668 634635166 /nfs/dbraw/zinc/63/51/66/634635166.db2.gz KJQBOTAASGQTSX-CYBMUJFWSA-N 2 2 250.346 0.653 20 0 CCADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2[nH]nc3c2COCC3)C1 ZINC000903746668 634635169 /nfs/dbraw/zinc/63/51/69/634635169.db2.gz KJQBOTAASGQTSX-CYBMUJFWSA-N 2 2 250.346 0.653 20 0 CCADLP NC(=O)CC[C@@H]1CCC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903888933 634671316 /nfs/dbraw/zinc/67/13/16/634671316.db2.gz NDROLDMDYJQWAA-UWVGGRQHSA-N 2 2 263.332 0.946 20 0 CCADLP NC(=O)CC[C@@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903888933 634671320 /nfs/dbraw/zinc/67/13/20/634671320.db2.gz NDROLDMDYJQWAA-UWVGGRQHSA-N 2 2 263.332 0.946 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cnn1C ZINC000903920000 634686851 /nfs/dbraw/zinc/68/68/51/634686851.db2.gz QYIQYZLPZIWUDO-UXIGCNINSA-N 3 2 279.432 0.434 20 0 CCADLP O[C@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1(O)CCC1 ZINC000905263315 634830125 /nfs/dbraw/zinc/83/01/25/634830125.db2.gz MPOSVBSEICEFTR-JOYOIKCWSA-N 2 2 251.330 0.133 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]([N@@H+](C)C[C@@H](C)O)C1 ZINC001027664002 630839424 /nfs/dbraw/zinc/83/94/24/630839424.db2.gz NTIRUDGZIIYKNQ-DGCLKSJQSA-N 2 2 294.399 0.564 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]([N@H+](C)C[C@@H](C)O)C1 ZINC001027664002 630839429 /nfs/dbraw/zinc/83/94/29/630839429.db2.gz NTIRUDGZIIYKNQ-DGCLKSJQSA-N 2 2 294.399 0.564 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[C@@H]2C[N@@H+](CCO)C[C@H]2C1 ZINC000980227382 631004643 /nfs/dbraw/zinc/00/46/43/631004643.db2.gz KBWLDGUEMQEAMG-JHJVBQTASA-N 2 2 292.383 0.161 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[C@@H]2C[N@H+](CCO)C[C@H]2C1 ZINC000980227382 631004646 /nfs/dbraw/zinc/00/46/46/631004646.db2.gz KBWLDGUEMQEAMG-JHJVBQTASA-N 2 2 292.383 0.161 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000925827220 631351142 /nfs/dbraw/zinc/35/11/42/631351142.db2.gz SWIUZBZZWVXOLE-KGLIPLIRSA-N 2 2 298.427 0.665 20 0 CCADLP Cc1nc(NCC[N@@H+](C)CCC[NH+](C)C)cc(=O)[nH]1 ZINC000894521403 631781462 /nfs/dbraw/zinc/78/14/62/631781462.db2.gz PFVKCWWTCRQFOT-UHFFFAOYSA-N 2 2 267.377 0.786 20 0 CCADLP Cc1nc(NCC[N@H+](C)CCC[NH+](C)C)cc(=O)[nH]1 ZINC000894521403 631781467 /nfs/dbraw/zinc/78/14/67/631781467.db2.gz PFVKCWWTCRQFOT-UHFFFAOYSA-N 2 2 267.377 0.786 20 0 CCADLP C[C@H]1[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC[N@@H+]1C ZINC000928431225 631813858 /nfs/dbraw/zinc/81/38/58/631813858.db2.gz LYHFQYMHGFHBBC-WCQYABFASA-N 2 2 276.384 0.971 20 0 CCADLP C[C@H]1[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC[N@H+]1C ZINC000928431225 631813865 /nfs/dbraw/zinc/81/38/65/631813865.db2.gz LYHFQYMHGFHBBC-WCQYABFASA-N 2 2 276.384 0.971 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000896204125 632214588 /nfs/dbraw/zinc/21/45/88/632214588.db2.gz KUFCOACHAXETTO-CHWSQXEVSA-N 2 2 283.416 0.384 20 0 CCADLP Cc1[nH]c(CNC(=O)C[C@H]2CC[N@@H+](C)C2)[nH+]c1C ZINC000896908115 632357709 /nfs/dbraw/zinc/35/77/09/632357709.db2.gz VSJZOEOARQQGCW-LLVKDONJSA-N 2 2 250.346 0.985 20 0 CCADLP Cc1[nH]c(CNC(=O)C[C@H]2CC[N@H+](C)C2)[nH+]c1C ZINC000896908115 632357713 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CC(C)[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000989493078 633318990 /nfs/dbraw/zinc/31/89/90/633318990.db2.gz QWHRVGAVTLXBHB-PWSUYJOCSA-N 2 2 250.346 0.940 20 0 CCADLP O=C(N[C@@H]1CCC[N@@H+](CCO)C1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001008486694 650116548 /nfs/dbraw/zinc/11/65/48/650116548.db2.gz IGZBKZBZOOKFKI-VXGBXAGGSA-N 2 2 292.383 0.403 20 0 CCADLP O=C(N[C@@H]1CCC[N@H+](CCO)C1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001008486694 650116549 /nfs/dbraw/zinc/11/65/49/650116549.db2.gz IGZBKZBZOOKFKI-VXGBXAGGSA-N 2 2 292.383 0.403 20 0 CCADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccnnc1 ZINC000924758501 633838008 /nfs/dbraw/zinc/83/80/08/633838008.db2.gz WOXFJLKAQDXLEA-TZMCWYRMSA-N 2 2 264.373 0.974 20 0 CCADLP [NH3+]Cc1cccc(-n2cc(C[NH+]3CCC(O)CC3)nn2)c1 ZINC000899730660 633876523 /nfs/dbraw/zinc/87/65/23/633876523.db2.gz LIEOKMAOHNNAOU-UHFFFAOYSA-N 2 2 287.367 0.683 20 0 CCADLP O=C(CNc1cccc[nH+]1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000900441727 634021580 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NC(=O)[C@@H](C1CC1)[N@@H+](CCn1cc[nH+]c1)CC1CC1 ZINC000879489017 647064662 /nfs/dbraw/zinc/06/46/62/647064662.db2.gz VDJPTLTTZZOGBX-CYBMUJFWSA-N 2 2 262.357 0.859 20 0 CCADLP Cc1nc(C)c(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)o1 ZINC000883425080 647524359 /nfs/dbraw/zinc/52/43/59/647524359.db2.gz KWJTTWDVPCVCKK-ZDUSSCGKSA-N 2 2 292.383 0.688 20 0 CCADLP Cc1nc(C)c(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)o1 ZINC000883425080 647524363 /nfs/dbraw/zinc/52/43/63/647524363.db2.gz KWJTTWDVPCVCKK-ZDUSSCGKSA-N 2 2 292.383 0.688 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N2CC3CC2(C[NH3+])C3)c[nH+]1 ZINC000884407364 647730160 /nfs/dbraw/zinc/73/01/60/647730160.db2.gz AOWLYTKPEPGVII-UHFFFAOYSA-N 2 2 262.357 0.876 20 0 CCADLP Cc1cc(CN2C(=O)N[C@H](C[NH+](C)C)C2=O)cc(C)[nH+]1 ZINC000924944893 648390702 /nfs/dbraw/zinc/39/07/02/648390702.db2.gz WWTJZVVDLOIIJA-GFCCVEGCSA-N 2 2 276.340 0.680 20 0 CCADLP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ncco1 ZINC000924960668 648391717 /nfs/dbraw/zinc/39/17/17/648391717.db2.gz LKELTVYVULBLRH-NWDGAFQWSA-N 2 2 252.362 0.961 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000925532637 648440546 /nfs/dbraw/zinc/44/05/46/648440546.db2.gz XIDWWFLSIFZLDG-ZFWWWQNUSA-N 3 2 268.449 0.743 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925551799 648442878 /nfs/dbraw/zinc/44/28/78/648442878.db2.gz YURWZEXUHJXHKN-MCIONIFRSA-N 3 2 266.433 0.482 20 0 CCADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CNCCOC1 ZINC000925598284 648445755 /nfs/dbraw/zinc/44/57/55/648445755.db2.gz RCEKRKVGWFYUFM-YPMHNXCESA-N 2 2 252.362 0.406 20 0 CCADLP C[C@@H]1COC[C@H]1[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000926865441 648531534 /nfs/dbraw/zinc/53/15/34/648531534.db2.gz JTCZZZLTPWLXBA-OWCLPIDISA-N 2 2 297.443 0.408 20 0 CCADLP Cc1[nH]c(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)c(C)[nH+]1 ZINC000930721224 648894389 /nfs/dbraw/zinc/89/43/89/648894389.db2.gz XENYJOSQFGLALY-YPMHNXCESA-N 2 2 253.346 0.904 20 0 CCADLP Cc1nnc([C@@H](C)[NH+]2CCC(O)(C[NH+](C)C)CC2)[nH]1 ZINC000931480392 648994134 /nfs/dbraw/zinc/99/41/34/648994134.db2.gz AZLIQGYUXCHYOM-SNVBAGLBSA-N 2 2 267.377 0.563 20 0 CCADLP OC[C@H](O)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000931707048 649020331 /nfs/dbraw/zinc/02/03/31/649020331.db2.gz LZUJHWDISKAPHH-ZIAGYGMSSA-N 2 2 261.325 0.567 20 0 CCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000931719917 649022001 /nfs/dbraw/zinc/02/20/01/649022001.db2.gz PGYSOKZYVBIODR-XGUBFFRZSA-N 2 2 284.400 0.057 20 0 CCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000931719917 649022005 /nfs/dbraw/zinc/02/20/05/649022005.db2.gz PGYSOKZYVBIODR-XGUBFFRZSA-N 2 2 284.400 0.057 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000931719917 649022009 /nfs/dbraw/zinc/02/20/09/649022009.db2.gz PGYSOKZYVBIODR-XGUBFFRZSA-N 2 2 284.400 0.057 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000931719917 649022013 /nfs/dbraw/zinc/02/20/13/649022013.db2.gz PGYSOKZYVBIODR-XGUBFFRZSA-N 2 2 284.400 0.057 20 0 CCADLP C[C@@H](CN1CCOCC1)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933732714 649140041 /nfs/dbraw/zinc/14/00/41/649140041.db2.gz BDRUEUGFFPIKAJ-SOUVJXGZSA-N 2 2 267.417 0.591 20 0 CCADLP C[C@@H](CN1CCOCC1)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933732714 649140045 /nfs/dbraw/zinc/14/00/45/649140045.db2.gz BDRUEUGFFPIKAJ-SOUVJXGZSA-N 2 2 267.417 0.591 20 0 CCADLP C[C@@H](CN1CCOCC1)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933732714 649140048 /nfs/dbraw/zinc/14/00/48/649140048.db2.gz BDRUEUGFFPIKAJ-SOUVJXGZSA-N 2 2 267.417 0.591 20 0 CCADLP C[C@@H](CN1CCOCC1)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933732714 649140051 /nfs/dbraw/zinc/14/00/51/649140051.db2.gz BDRUEUGFFPIKAJ-SOUVJXGZSA-N 2 2 267.417 0.591 20 0 CCADLP O=C([C@@H]1CCC[C@@H]2CCC[N@@H+]21)N1CC[NH+](CCO)CC1 ZINC000951627896 649552309 /nfs/dbraw/zinc/55/23/09/649552309.db2.gz BHWJSVGRESRAMZ-KGLIPLIRSA-N 2 2 281.400 0.140 20 0 CCADLP O=C([C@@H]1CCC[C@@H]2CCC[N@H+]21)N1CC[NH+](CCO)CC1 ZINC000951627896 649552313 /nfs/dbraw/zinc/55/23/13/649552313.db2.gz BHWJSVGRESRAMZ-KGLIPLIRSA-N 2 2 281.400 0.140 20 0 CCADLP CON(C)C(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000091629034 649708725 /nfs/dbraw/zinc/70/87/25/649708725.db2.gz AZRRVCQZZNCQOV-RYUDHWBXSA-N 2 2 266.345 0.786 20 0 CCADLP CON(C)C(=O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000091629034 649708727 /nfs/dbraw/zinc/70/87/27/649708727.db2.gz AZRRVCQZZNCQOV-RYUDHWBXSA-N 2 2 266.345 0.786 20 0 CCADLP C[C@H](F)CC[NH+]1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000957330967 649744621 /nfs/dbraw/zinc/74/46/21/649744621.db2.gz RAICMPXXHOSSGU-LBPRGKRZSA-N 2 2 282.363 0.855 20 0 CCADLP C[N@@H+]1CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CC1(C)C ZINC000250797687 649790527 /nfs/dbraw/zinc/79/05/27/649790527.db2.gz MVAMTOURJGQITE-NSHDSACASA-N 2 2 275.418 0.094 20 0 CCADLP C[N@H+]1CCN(S(=O)(=O)[C@H]2CCC[NH2+]C2)CC1(C)C ZINC000250797687 649790532 /nfs/dbraw/zinc/79/05/32/649790532.db2.gz MVAMTOURJGQITE-NSHDSACASA-N 2 2 275.418 0.094 20 0 CCADLP CCN(CC)c1cc(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)nc[nH+]1 ZINC001164674870 719413697 /nfs/dbraw/zinc/41/36/97/719413697.db2.gz XVARLANNAYGEAP-CHWSQXEVSA-N 2 2 291.399 0.842 20 0 CCADLP CCN(CC)c1cc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)nc[nH+]1 ZINC001164674870 719413699 /nfs/dbraw/zinc/41/36/99/719413699.db2.gz XVARLANNAYGEAP-CHWSQXEVSA-N 2 2 291.399 0.842 20 0 CCADLP COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208617909 790433729 /nfs/dbraw/zinc/43/37/29/790433729.db2.gz PGVZUGMQFPONER-OLZOCXBDSA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH+](C)C1 ZINC001208617909 790433735 /nfs/dbraw/zinc/43/37/35/790433735.db2.gz PGVZUGMQFPONER-OLZOCXBDSA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)CNC(=O)[C@@H]1CCC[NH+]1C[C@@H]1CCC[N@H+](C)C1 ZINC001208617909 790433741 /nfs/dbraw/zinc/43/37/41/790433741.db2.gz PGVZUGMQFPONER-OLZOCXBDSA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)CNC(=O)[C@@H]1CCC[NH+]1C[C@@H]1CCC[N@@H+](C)C1 ZINC001208617909 790433750 /nfs/dbraw/zinc/43/37/50/790433750.db2.gz PGVZUGMQFPONER-OLZOCXBDSA-N 2 2 297.399 0.082 20 0 CCADLP CC1(C)CO[C@H](C[NH2+]CCCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001167349538 790944760 /nfs/dbraw/zinc/94/47/60/790944760.db2.gz ACLQLPPXQKBWBE-ZDUSSCGKSA-N 2 2 294.399 0.863 20 0 CCADLP CCC[NH2+][C@H]1C[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001266608165 791017112 /nfs/dbraw/zinc/01/71/12/791017112.db2.gz XPUFBOHXLACDTJ-HAQNSBGRSA-N 2 2 264.373 1.000 20 0 CCADLP CCNC(=O)C[NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001167428420 791061192 /nfs/dbraw/zinc/06/11/92/791061192.db2.gz KHQOOUIDQBBJPM-LBPRGKRZSA-N 2 2 295.387 0.066 20 0 CCADLP C[NH+](C)CCN1CC2(C1)C[NH+](C1CC[NH+](C)CC1)C2 ZINC001277627220 805907135 /nfs/dbraw/zinc/90/71/35/805907135.db2.gz QLZMCJLQKDTUIL-UHFFFAOYSA-N 3 2 266.433 0.260 20 0 CCADLP C[NH+](C)CCN1C[C@@H]2CN(c3cccc[nH+]3)C[C@H](C1)O2 ZINC001277754526 806015164 /nfs/dbraw/zinc/01/51/64/806015164.db2.gz NZEGKWFNMNMOMB-OKILXGFUSA-N 2 2 276.384 0.533 20 0 CCADLP CCOCC[NH2+]C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001266881005 791319913 /nfs/dbraw/zinc/31/99/13/791319913.db2.gz NDMGMSJNWGNCRT-CYBMUJFWSA-N 2 2 294.399 0.959 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CCOC1CCC1 ZINC001266981877 791419466 /nfs/dbraw/zinc/41/94/66/791419466.db2.gz SJLCAQOLYTUPDZ-NSHDSACASA-N 2 2 280.372 0.616 20 0 CCADLP CC[C@H](F)C[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001266996117 791429491 /nfs/dbraw/zinc/42/94/91/791429491.db2.gz NDLXYHDGPRCOHH-MNOVXSKESA-N 2 2 256.325 0.726 20 0 CCADLP CC[C@@H](F)C[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001266996115 791429528 /nfs/dbraw/zinc/42/95/28/791429528.db2.gz NDLXYHDGPRCOHH-GHMZBOCLSA-N 2 2 256.325 0.726 20 0 CCADLP COC(C[NH+]1CCC([NH+]2CCC(C(N)=O)CC2)CC1)OC ZINC001207256904 791487358 /nfs/dbraw/zinc/48/73/58/791487358.db2.gz PKECOEXJJWOYMS-UHFFFAOYSA-N 2 2 299.415 0.267 20 0 CCADLP CC(C)(C)OC(=O)[C@@H](O)C[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246027345 807124668 /nfs/dbraw/zinc/12/46/68/807124668.db2.gz XYCPHGKICLJZEC-UWVGGRQHSA-N 2 2 294.342 0.605 20 0 CCADLP CC(C)(C)OC(=O)[C@@H](O)C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246027345 807124674 /nfs/dbraw/zinc/12/46/74/807124674.db2.gz XYCPHGKICLJZEC-UWVGGRQHSA-N 2 2 294.342 0.605 20 0 CCADLP CC[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)[C@H](C)COC ZINC001267250784 793245679 /nfs/dbraw/zinc/24/56/79/793245679.db2.gz OHXJWUNNDUZXIS-LLVKDONJSA-N 2 2 268.361 0.425 20 0 CCADLP CC[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)[C@H](C)COC ZINC001267250784 793245690 /nfs/dbraw/zinc/24/56/90/793245690.db2.gz OHXJWUNNDUZXIS-LLVKDONJSA-N 2 2 268.361 0.425 20 0 CCADLP Fc1ccc2c(c1)[nH]nc2CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234988935 806335778 /nfs/dbraw/zinc/33/57/78/806335778.db2.gz KBZXVVFAFAGHKW-HNNXBMFYSA-N 2 2 289.358 0.839 20 0 CCADLP CC(C)(C)OC(=O)NCC[N@@H+]1CCC2(C[NH2+]C2)C1 ZINC001235024955 806348230 /nfs/dbraw/zinc/34/82/30/806348230.db2.gz UOMLYYLCKSNAHM-UHFFFAOYSA-N 2 2 255.362 0.806 20 0 CCADLP CC(C)(C)OC(=O)NCC[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001235024955 806348240 /nfs/dbraw/zinc/34/82/40/806348240.db2.gz UOMLYYLCKSNAHM-UHFFFAOYSA-N 2 2 255.362 0.806 20 0 CCADLP Cc1nc(C)c(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)s1 ZINC001235055160 806358413 /nfs/dbraw/zinc/35/84/13/806358413.db2.gz ZNIKGKLNXNEQOP-ZDUSSCGKSA-N 2 2 266.414 0.897 20 0 CCADLP Cc1nc(C)c(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)s1 ZINC001235055160 806358422 /nfs/dbraw/zinc/35/84/22/806358422.db2.gz ZNIKGKLNXNEQOP-ZDUSSCGKSA-N 2 2 266.414 0.897 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+]1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 ZINC001235540420 806448775 /nfs/dbraw/zinc/44/87/75/806448775.db2.gz DVKJEKCKRRMHEU-JMSVASOKSA-N 2 2 295.358 0.895 20 0 CCADLP C[C@@H]([NH3+])C[N@H+]1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 ZINC001235540420 806448780 /nfs/dbraw/zinc/44/87/80/806448780.db2.gz DVKJEKCKRRMHEU-JMSVASOKSA-N 2 2 295.358 0.895 20 0 CCADLP C[C@@H]([NH3+])C[NH+]1CCC2(C[C@@H](C(=O)NC3CCC3)CO2)CC1 ZINC001235598674 806468970 /nfs/dbraw/zinc/46/89/70/806468970.db2.gz XQQQQALPOTYVBQ-CHWSQXEVSA-N 2 2 295.427 0.873 20 0 CCADLP COCCN1C(=O)CCC12CC[NH+](C[C@@H](C)[NH3+])CC2 ZINC001235659172 806485715 /nfs/dbraw/zinc/48/57/15/806485715.db2.gz CEKDERJNTXIESK-GFCCVEGCSA-N 2 2 269.389 0.437 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@]2(CCN(c3cncnc3)C2=O)C1 ZINC001235661668 806487453 /nfs/dbraw/zinc/48/74/53/806487453.db2.gz VAAQISNKIONAEG-SWLSCSKDSA-N 2 2 289.383 0.643 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@]2(CCN(c3cncnc3)C2=O)C1 ZINC001235661668 806487458 /nfs/dbraw/zinc/48/74/58/806487458.db2.gz VAAQISNKIONAEG-SWLSCSKDSA-N 2 2 289.383 0.643 20 0 CCADLP COC(=O)[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)[C@H]1C ZINC001235891677 806513829 /nfs/dbraw/zinc/51/38/29/806513829.db2.gz HLOMJMHUOOWKCP-SRVKXCTJSA-N 2 2 270.373 0.984 20 0 CCADLP COC(=O)[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)[C@H]1C ZINC001235891677 806513837 /nfs/dbraw/zinc/51/38/37/806513837.db2.gz HLOMJMHUOOWKCP-SRVKXCTJSA-N 2 2 270.373 0.984 20 0 CCADLP COCc1cccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])n1 ZINC001235997706 806524902 /nfs/dbraw/zinc/52/49/02/806524902.db2.gz HCCKSFQLNYCWHL-ODOQXGPZSA-N 2 2 277.368 0.634 20 0 CCADLP COCc1cccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])n1 ZINC001235997706 806524909 /nfs/dbraw/zinc/52/49/09/806524909.db2.gz HCCKSFQLNYCWHL-ODOQXGPZSA-N 2 2 277.368 0.634 20 0 CCADLP CN1CCO[C@@]2(CCC[N@H+](CCC[NH+](C)C)C2)C1 ZINC001278049073 806637412 /nfs/dbraw/zinc/63/74/12/806637412.db2.gz UOPQQZAXWDHOHT-AWEZNQCLSA-N 2 2 255.406 0.735 20 0 CCADLP CN1CCO[C@@]2(CCC[N@@H+](CCC[NH+](C)C)C2)C1 ZINC001278049073 806637417 /nfs/dbraw/zinc/63/74/17/806637417.db2.gz UOPQQZAXWDHOHT-AWEZNQCLSA-N 2 2 255.406 0.735 20 0 CCADLP CC(C)[C@@H]1CCN1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001120558010 798864354 /nfs/dbraw/zinc/86/43/54/798864354.db2.gz PDHSMXXTYFNZRM-ZDUSSCGKSA-N 2 2 268.405 0.849 20 0 CCADLP OC/C=C/C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001120583901 798878141 /nfs/dbraw/zinc/87/81/41/798878141.db2.gz SYMYNDZZIBMOKB-DWTRPJMMSA-N 2 2 276.380 0.762 20 0 CCADLP OC/C=C/C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001120583901 798878148 /nfs/dbraw/zinc/87/81/48/798878148.db2.gz SYMYNDZZIBMOKB-DWTRPJMMSA-N 2 2 276.380 0.762 20 0 CCADLP C[C@H]1C[C@H](C(=O)NCC[NH+]2CCC([NH3+])CC2)CCO1 ZINC001122157617 799157091 /nfs/dbraw/zinc/15/70/91/799157091.db2.gz QCZPAYLDQVHMBC-NWDGAFQWSA-N 2 2 269.389 0.341 20 0 CCADLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1c[nH]ccc1=O ZINC001237849482 806725740 /nfs/dbraw/zinc/72/57/40/806725740.db2.gz UJLRWBPFDVTWRD-UHFFFAOYSA-N 2 2 264.373 0.054 20 0 CCADLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1c[nH]ccc1=O ZINC001237849482 806725750 /nfs/dbraw/zinc/72/57/50/806725750.db2.gz UJLRWBPFDVTWRD-UHFFFAOYSA-N 2 2 264.373 0.054 20 0 CCADLP CC[C@@H]1CC[C@@H](C(=O)NCC[NH+]2CCC([NH3+])CC2)O1 ZINC001122238918 799176975 /nfs/dbraw/zinc/17/69/75/799176975.db2.gz KHPIXMBLRWVOKZ-OLZOCXBDSA-N 2 2 269.389 0.483 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCCCC[NH2+]1 ZINC001122306000 799193146 /nfs/dbraw/zinc/19/31/46/799193146.db2.gz XGMANTJJFOXOEA-LBPRGKRZSA-N 2 2 250.346 0.922 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC001122615522 799273832 /nfs/dbraw/zinc/27/38/32/799273832.db2.gz QGQUHPJHSRPWJS-DGCLKSJQSA-N 2 2 267.373 0.213 20 0 CCADLP C[C@H]1CC[C@@H]([NH2+]C[C@@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)C[NH2+]1 ZINC001246143274 807166504 /nfs/dbraw/zinc/16/65/04/807166504.db2.gz PQJYKNDHJXEUAP-HPCHECBXSA-N 3 2 253.390 0.341 20 0 CCADLP CCOC(=O)c1n[nH]cc1C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001138852496 799760804 /nfs/dbraw/zinc/76/08/04/799760804.db2.gz DKJCYJDCQQFMMD-YPMHNXCESA-N 2 2 292.383 0.970 20 0 CCADLP CCOC(=O)c1n[nH]cc1C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001138852496 799760809 /nfs/dbraw/zinc/76/08/09/799760809.db2.gz DKJCYJDCQQFMMD-YPMHNXCESA-N 2 2 292.383 0.970 20 0 CCADLP CCOC(=O)c1n[nH]cc1C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001138852496 799760813 /nfs/dbraw/zinc/76/08/13/799760813.db2.gz DKJCYJDCQQFMMD-YPMHNXCESA-N 2 2 292.383 0.970 20 0 CCADLP CCOC(=O)c1n[nH]cc1C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001138852496 799760817 /nfs/dbraw/zinc/76/08/17/799760817.db2.gz DKJCYJDCQQFMMD-YPMHNXCESA-N 2 2 292.383 0.970 20 0 CCADLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc(=O)[nH]c3)C[C@@H]2C1 ZINC001139466342 799818600 /nfs/dbraw/zinc/81/86/00/799818600.db2.gz IJERNYMZIPRIBA-UONOGXRCSA-N 2 2 277.368 0.940 20 0 CCADLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc(=O)[nH]c3)C[C@@H]2C1 ZINC001139466342 799818605 /nfs/dbraw/zinc/81/86/05/799818605.db2.gz IJERNYMZIPRIBA-UONOGXRCSA-N 2 2 277.368 0.940 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc(=O)[nH]c3)C[C@@H]2C1 ZINC001139466342 799818611 /nfs/dbraw/zinc/81/86/11/799818611.db2.gz IJERNYMZIPRIBA-UONOGXRCSA-N 2 2 277.368 0.940 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc(=O)[nH]c3)C[C@@H]2C1 ZINC001139466342 799818614 /nfs/dbraw/zinc/81/86/14/799818614.db2.gz IJERNYMZIPRIBA-UONOGXRCSA-N 2 2 277.368 0.940 20 0 CCADLP COCCn1cc(C[NH+]2CCN(CC[NH+](C)C)CC2)cn1 ZINC001139778651 799840931 /nfs/dbraw/zinc/84/09/31/799840931.db2.gz ZCVBPPVOCVXYPR-UHFFFAOYSA-N 2 2 295.431 0.209 20 0 CCADLP C[NH+]1CCC2(C[NH+](Cc3cn4c(n3)COCC4)C2)CC1 ZINC001141536989 800018460 /nfs/dbraw/zinc/01/84/60/800018460.db2.gz AWQWQLSLKAUSMF-UHFFFAOYSA-N 2 2 276.384 0.941 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)C1CC[NH+](C)CC1 ZINC001143316287 800230128 /nfs/dbraw/zinc/23/01/28/800230128.db2.gz DAEOCLICSWZYDG-UHFFFAOYSA-N 2 2 280.372 0.488 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[NH2+]Cc1cc(C)ncn1 ZINC001151114799 800401400 /nfs/dbraw/zinc/40/14/00/800401400.db2.gz PZLORGIIAMPTPD-UHFFFAOYSA-N 2 2 288.355 0.196 20 0 CCADLP N=c1cc(C[NH3+])ccn1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001151976686 800476578 /nfs/dbraw/zinc/47/65/78/800476578.db2.gz PUJYVBUQWUWPTE-UHFFFAOYSA-N 2 2 267.292 0.991 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH2+]Cc1cnsn1 ZINC001152136470 800493979 /nfs/dbraw/zinc/49/39/79/800493979.db2.gz DLMMLAGCVHLMMZ-PHIMTYICSA-N 2 2 297.428 0.617 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH2+]Cc1cnsn1 ZINC001152136470 800493981 /nfs/dbraw/zinc/49/39/81/800493981.db2.gz DLMMLAGCVHLMMZ-PHIMTYICSA-N 2 2 297.428 0.617 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NCC[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001152426304 800518961 /nfs/dbraw/zinc/51/89/61/800518961.db2.gz FRZUWUMVFHNAPQ-UHFFFAOYSA-N 2 2 294.403 0.228 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001152426304 800518965 /nfs/dbraw/zinc/51/89/65/800518965.db2.gz FRZUWUMVFHNAPQ-UHFFFAOYSA-N 2 2 294.403 0.228 20 0 CCADLP CCCc1noc(C[NH2+]CCNC(=O)C[N@H+](C)C(C)C)n1 ZINC001152439622 800521734 /nfs/dbraw/zinc/52/17/34/800521734.db2.gz PTMFTWMAHIWELQ-UHFFFAOYSA-N 2 2 297.403 0.568 20 0 CCADLP CCCc1noc(C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C)n1 ZINC001152439622 800521738 /nfs/dbraw/zinc/52/17/38/800521738.db2.gz PTMFTWMAHIWELQ-UHFFFAOYSA-N 2 2 297.403 0.568 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]C[C@@H]1C[C@@]12CCOC2 ZINC001153495258 800635964 /nfs/dbraw/zinc/63/59/64/800635964.db2.gz GIVRVPXLGVKKRA-GXTWGEPZSA-N 2 2 278.356 0.016 20 0 CCADLP CC[N@H+](Cc1cn(C)nn1)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001154999542 800888692 /nfs/dbraw/zinc/88/86/92/800888692.db2.gz JYNOJECMRWTJRZ-GFCCVEGCSA-N 2 2 296.419 0.093 20 0 CCADLP CC[N@@H+](Cc1cn(C)nn1)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001154999542 800888697 /nfs/dbraw/zinc/88/86/97/800888697.db2.gz JYNOJECMRWTJRZ-GFCCVEGCSA-N 2 2 296.419 0.093 20 0 CCADLP COc1ncc(F)c(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)n1 ZINC001155372105 800961307 /nfs/dbraw/zinc/96/13/07/800961307.db2.gz GAKSIDMOCLIFTA-NSHDSACASA-N 2 2 295.362 0.484 20 0 CCADLP Cc1nc(NC[C@]23C[NH2+]C[C@H]2COC3)c2c([nH+]1)CCC2 ZINC001155516042 800997490 /nfs/dbraw/zinc/99/74/90/800997490.db2.gz PQFADQNROKXGNJ-NHYWBVRUSA-N 2 2 274.368 0.922 20 0 CCADLP CCOC(=O)Cc1cc[nH+]c(NC[C@@]23C[NH2+][C@@H](CO2)C3)c1 ZINC001155544995 801004725 /nfs/dbraw/zinc/00/47/25/801004725.db2.gz GOCNNYCZYGDYDK-IUODEOHRSA-N 2 2 291.351 0.730 20 0 CCADLP CCCc1cc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)nc(C)[nH+]1 ZINC001155575552 801012465 /nfs/dbraw/zinc/01/24/65/801012465.db2.gz MFFZEISBJPYRKZ-SMDDNHRTSA-N 2 2 275.356 0.728 20 0 CCADLP CCc1cc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)nc(C)[nH+]1 ZINC001155576222 801013373 /nfs/dbraw/zinc/01/33/73/801013373.db2.gz PEWQBOBMDQHOAX-MFKMUULPSA-N 2 2 261.329 0.337 20 0 CCADLP CC(C)(C)COC(=O)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239334990 806887988 /nfs/dbraw/zinc/88/79/88/806887988.db2.gz WVUJQRKDYLYLJX-UHFFFAOYSA-N 2 2 286.420 0.254 20 0 CCADLP CC[N@H+](CCCO)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156383912 801159748 /nfs/dbraw/zinc/15/97/48/801159748.db2.gz SXLYFXLETFKXJU-GFCCVEGCSA-N 2 2 282.388 0.172 20 0 CCADLP CC[N@@H+](CCCO)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156383912 801159752 /nfs/dbraw/zinc/15/97/52/801159752.db2.gz SXLYFXLETFKXJU-GFCCVEGCSA-N 2 2 282.388 0.172 20 0 CCADLP Cc1[nH+]c(N)ccc1CNc1ncnc2c1C[NH2+]C2 ZINC001156975090 801276592 /nfs/dbraw/zinc/27/65/92/801276592.db2.gz ZRXKXRAPEPMIDT-UHFFFAOYSA-N 2 2 256.313 0.978 20 0 CCADLP CCN(CCn1cc[nH+]c1)c1ncnc2c1CC[NH2+]C2 ZINC001157459980 801389042 /nfs/dbraw/zinc/38/90/42/801389042.db2.gz PKLUWWWDNCCIOD-UHFFFAOYSA-N 2 2 272.356 0.845 20 0 CCADLP C[C@H]1CN(C(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)CCCO1 ZINC001157703971 801458928 /nfs/dbraw/zinc/45/89/28/801458928.db2.gz UENPHXJMHMDJJD-FZMZJTMJSA-N 2 2 277.368 0.896 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@@](O)(CF)CC1 ZINC001157781428 801482171 /nfs/dbraw/zinc/48/21/71/801482171.db2.gz PAXMAGJCPWHYDQ-JSGCOSHPSA-N 2 2 298.362 0.003 20 0 CCADLP C[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CCC1(F)F ZINC001157849350 801500683 /nfs/dbraw/zinc/50/06/83/801500683.db2.gz USOMPOMPADVYFM-MDZLAQPJSA-N 2 2 287.354 0.832 20 0 CCADLP COc1cnc(SC)nc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001157914846 801518581 /nfs/dbraw/zinc/51/85/81/801518581.db2.gz MXDIILWIKMCCQJ-UHFFFAOYSA-N 2 2 296.400 0.801 20 0 CCADLP CCc1nc(C)cc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001157915909 801520136 /nfs/dbraw/zinc/52/01/36/801520136.db2.gz GKYSHKGPINKJFD-UHFFFAOYSA-N 2 2 262.361 0.941 20 0 CCADLP C[C@@]1(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)COCC[NH2+]1 ZINC001157970561 801542992 /nfs/dbraw/zinc/54/29/92/801542992.db2.gz QXGYPBQCGXDTMI-ZBFHGGJFSA-N 2 2 289.379 0.538 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)NCCC[NH2+]CCCO)ccn12 ZINC001158061949 801560907 /nfs/dbraw/zinc/56/09/07/801560907.db2.gz KJJVAHBYHOWZCC-UHFFFAOYSA-N 2 2 290.367 0.735 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158160401 801578354 /nfs/dbraw/zinc/57/83/54/801578354.db2.gz ISGYFQWIBSRXSR-DZGCQCFKSA-N 3 2 291.399 0.035 20 0 CCADLP C[C@]1(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]32)CC(F)(F)C[NH2+]1 ZINC001158199263 801590484 /nfs/dbraw/zinc/59/04/84/801590484.db2.gz ROBQCLZRDIKZFH-IQJOONFLSA-N 2 2 259.300 0.337 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nc(Cl)nc(Cl)n1 ZINC001158204566 801593356 /nfs/dbraw/zinc/59/33/56/801593356.db2.gz QZOLICCEGSOGEL-RXMQYKEDSA-N 2 2 289.126 0.226 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc2c(nn1)CCC2 ZINC001158209578 801597223 /nfs/dbraw/zinc/59/72/23/801597223.db2.gz YRLDCNWNGRCGDL-SNVBAGLBSA-N 2 2 259.313 0.013 20 0 CCADLP COCc1ccnc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158262100 801608508 /nfs/dbraw/zinc/60/85/08/801608508.db2.gz RGYMHUSLJILLRF-GFCCVEGCSA-N 2 2 291.399 0.625 20 0 CCADLP COCc1ccnc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158262100 801608515 /nfs/dbraw/zinc/60/85/15/801608515.db2.gz RGYMHUSLJILLRF-GFCCVEGCSA-N 2 2 291.399 0.625 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H]([NH3+])CC2CCC2)CC1 ZINC001158605230 801672384 /nfs/dbraw/zinc/67/23/84/801672384.db2.gz WKPGSELPXODLIP-ZDUSSCGKSA-N 2 2 269.389 0.295 20 0 CCADLP Cc1c[nH+]c2n1CCC21CCN(C(=O)C2([NH3+])CC2)CC1 ZINC001159381794 801799145 /nfs/dbraw/zinc/79/91/45/801799145.db2.gz GPEKOIKHVSDPDY-UHFFFAOYSA-N 2 2 274.368 0.947 20 0 CCADLP CSc1nc(N[C@H]2C[NH2+]C[C@@H]2CO)cc(C)[nH+]1 ZINC001159673399 801846215 /nfs/dbraw/zinc/84/62/15/801846215.db2.gz WZSILRZMYDRRJI-BDAKNGLRSA-N 2 2 254.359 0.499 20 0 CCADLP [NH3+]C1CCN(c2cccc(N[C@@H]3C[NH2+]C[C@@H]3CO)[nH+]2)CC1 ZINC001159680484 801849680 /nfs/dbraw/zinc/84/96/80/801849680.db2.gz JCVBVYCQLSBIKD-DGCLKSJQSA-N 3 2 291.399 0.001 20 0 CCADLP O=C(N(CCO)Cc1cccs1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160443763 801941556 /nfs/dbraw/zinc/94/15/56/801941556.db2.gz OGQIKJBJADGFNO-SMDDNHRTSA-N 2 2 295.408 0.021 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001160460949 801944405 /nfs/dbraw/zinc/94/44/05/801944405.db2.gz HQWVYGYPSDPERK-IHRRRGAJSA-N 3 2 280.416 0.010 20 0 CCADLP O=C(N1CCCC[C@@H]1C[NH+]1CCCC1)C1(F)C[NH2+]C1 ZINC001160461477 801945303 /nfs/dbraw/zinc/94/53/03/801945303.db2.gz QTGKSFXMTFRQLL-GFCCVEGCSA-N 2 2 269.364 0.775 20 0 CCADLP COc1ncc(F)c(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)n1 ZINC001160512195 801956318 /nfs/dbraw/zinc/95/63/18/801956318.db2.gz UELDMBRSPMBUOD-CYBMUJFWSA-N 2 2 281.335 0.459 20 0 CCADLP Cc1nc([C@@H]2CCCCN2C(=O)C2([NH3+])CC[NH2+]CC2)no1 ZINC001160548958 801967989 /nfs/dbraw/zinc/96/79/89/801967989.db2.gz KKRPOQPWPDVORF-NSHDSACASA-N 2 2 293.371 0.513 20 0 CCADLP [NH3+][C@H](C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1CC[NH2+]CC1 ZINC001160692849 802003013 /nfs/dbraw/zinc/00/30/13/802003013.db2.gz FYKHLMFOBWWOAW-OLZOCXBDSA-N 3 2 291.399 0.443 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCc3[nH+]ccn3CC2)C1 ZINC001160759835 802016917 /nfs/dbraw/zinc/01/69/17/802016917.db2.gz APNNYHUBVACPRB-VXGBXAGGSA-N 2 2 262.357 0.656 20 0 CCADLP [NH3+]C1(C(=O)N2CC[C@@]3(C2)CC(F)(F)CO3)CC[NH2+]CC1 ZINC001160771912 802018407 /nfs/dbraw/zinc/01/84/07/802018407.db2.gz JCJAVBBHLPFGJP-NSHDSACASA-N 2 2 289.326 0.094 20 0 CCADLP COCC[NH2+]CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001160820875 802021922 /nfs/dbraw/zinc/02/19/22/802021922.db2.gz XUMPUSOHRPJMFJ-UHFFFAOYSA-N 2 2 282.388 0.669 20 0 CCADLP CC1(C)CN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC(C)(C)O1 ZINC001160967868 802055468 /nfs/dbraw/zinc/05/54/68/802055468.db2.gz PXECDLZIIHMVDW-XHDPSFHLSA-N 2 2 281.400 0.354 20 0 CCADLP CN(C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161057774 802077798 /nfs/dbraw/zinc/07/77/98/802077798.db2.gz GCXTZGRNUFXMKI-TUAOUCFPSA-N 3 2 265.361 0.008 20 0 CCADLP CC[NH2+]CCCNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001161323552 802126768 /nfs/dbraw/zinc/12/67/68/802126768.db2.gz NXUAKJFJIXUEKM-LLVKDONJSA-N 2 2 264.373 0.939 20 0 CCADLP CC[NH2+]CCCNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001161323552 802126774 /nfs/dbraw/zinc/12/67/74/802126774.db2.gz NXUAKJFJIXUEKM-LLVKDONJSA-N 2 2 264.373 0.939 20 0 CCADLP [NH3+][C@@H](CC1CCC1)C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161378816 802141706 /nfs/dbraw/zinc/14/17/06/802141706.db2.gz NFZSKNFADDLGLE-GJZGRUSLSA-N 3 2 294.443 0.528 20 0 CCADLP CN(C)c1cc(NC2CCN([C@H]3CC[NH2+]C3)CC2)[nH+]cn1 ZINC001161463705 802158089 /nfs/dbraw/zinc/15/80/89/802158089.db2.gz NXLOYAMIUKJKRY-ZDUSSCGKSA-N 2 2 290.415 0.781 20 0 CCADLP CN(C)c1cc(NC2CCN([C@H]3CC[NH2+]C3)CC2)nc[nH+]1 ZINC001161463705 802158095 /nfs/dbraw/zinc/15/80/95/802158095.db2.gz NXLOYAMIUKJKRY-ZDUSSCGKSA-N 2 2 290.415 0.781 20 0 CCADLP C[N@@H+]1CCCn2nc(C(=O)N3CC[NH2+]C4(CC4)C3)cc2C1 ZINC001161559155 802183004 /nfs/dbraw/zinc/18/30/04/802183004.db2.gz AQSVDDCOOJQYGV-UHFFFAOYSA-N 2 2 289.383 0.297 20 0 CCADLP C[N@H+]1CCCn2nc(C(=O)N3CC[NH2+]C4(CC4)C3)cc2C1 ZINC001161559155 802183008 /nfs/dbraw/zinc/18/30/08/802183008.db2.gz AQSVDDCOOJQYGV-UHFFFAOYSA-N 2 2 289.383 0.297 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1ccc2c(n1)CC[NH2+]C2 ZINC001162849343 802428990 /nfs/dbraw/zinc/42/89/90/802428990.db2.gz LUUBRJLIUXRBSD-NSHDSACASA-N 2 2 292.383 0.808 20 0 CCADLP Cc1cc(C)c(C(=O)NCCC[NH2+]CC(N)=O)c(C)[nH+]1 ZINC001162910834 802434236 /nfs/dbraw/zinc/43/42/36/802434236.db2.gz ZFJXUJMJQSYBIH-UHFFFAOYSA-N 2 2 278.356 0.202 20 0 CCADLP C[C@H](O)CCC[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163594357 802575006 /nfs/dbraw/zinc/57/50/06/802575006.db2.gz XHOURPWJYKLVEE-ZDUSSCGKSA-N 2 2 282.388 0.530 20 0 CCADLP Cn1ccccc1=NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001164206831 802687292 /nfs/dbraw/zinc/68/72/92/802687292.db2.gz GJXOIDUUNQQKNI-UHFFFAOYSA-N 2 2 262.401 0.952 20 0 CCADLP CC1(C)C[N@@H+](C2CN(c3cccc(N)[nH+]3)C2)CCO1 ZINC001165128563 802786822 /nfs/dbraw/zinc/78/68/22/802786822.db2.gz SWYCDFYLFKUORJ-UHFFFAOYSA-N 2 2 262.357 0.963 20 0 CCADLP CC1(C)C[N@H+](C2CN(c3cccc(N)[nH+]3)C2)CCO1 ZINC001165128563 802786828 /nfs/dbraw/zinc/78/68/28/802786828.db2.gz SWYCDFYLFKUORJ-UHFFFAOYSA-N 2 2 262.357 0.963 20 0 CCADLP CSc1cc[nH+]c(N2CC(=O)NC3(CC[NH2+]CC3)C2)c1 ZINC001165254783 802805135 /nfs/dbraw/zinc/80/51/35/802805135.db2.gz KBOVQLAMNMZUAE-UHFFFAOYSA-N 2 2 292.408 0.862 20 0 CCADLP Cc1[nH+]c2c(n1-c1cc(C3C[NH2+]C3)ncn1)CC[NH2+]CC2 ZINC001165355873 802825890 /nfs/dbraw/zinc/82/58/90/802825890.db2.gz KMOPBJAMRLURRQ-UHFFFAOYSA-N 3 2 284.367 0.346 20 0 CCADLP Cc1nc([C@H](C)[NH2+]CCCNC(=O)CCC[NH+](C)C)no1 ZINC001165360920 802828017 /nfs/dbraw/zinc/82/80/17/802828017.db2.gz VVYJNZMSTOPVIW-NSHDSACASA-N 2 2 297.403 0.877 20 0 CCADLP [NH3+][C@H]1[C@H]2CN(c3cc(N4CCSCC4)nc[nH+]3)C[C@@H]12 ZINC001165386091 802832067 /nfs/dbraw/zinc/83/20/67/802832067.db2.gz ZFWKLUXUIMLJFA-DDFAGTSDSA-N 2 2 277.397 0.423 20 0 CCADLP [NH3+][C@H]1[C@H]2CN(c3cc(N4CCSCC4)[nH+]cn3)C[C@@H]12 ZINC001165386091 802832070 /nfs/dbraw/zinc/83/20/70/802832070.db2.gz ZFWKLUXUIMLJFA-DDFAGTSDSA-N 2 2 277.397 0.423 20 0 CCADLP c1cc(N2CCC[C@@H]3[NH2+]C[C@H]32)nc(N2CCOCC2)[nH+]1 ZINC001165396054 802834974 /nfs/dbraw/zinc/83/49/74/802834974.db2.gz YKCGFSJHCJXUBI-NWDGAFQWSA-N 2 2 275.356 0.254 20 0 CCADLP [NH3+]CCc1nccn1-c1cc[nH+]c(N2CCC([NH3+])CC2)n1 ZINC001166300028 802899045 /nfs/dbraw/zinc/89/90/45/802899045.db2.gz ZJRXJPZANVEFGA-UHFFFAOYSA-N 3 2 287.371 0.091 20 0 CCADLP CO[C@@H](C)C[NH2+]CCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001166408265 802905932 /nfs/dbraw/zinc/90/59/32/802905932.db2.gz NGYACUXPOMMJQC-RYUDHWBXSA-N 2 2 294.399 0.960 20 0 CCADLP [NH3+][C@@H]1CN(c2cc(N3CCSCC3)[nH+]cn2)C[C@@H]1F ZINC001166929947 802981611 /nfs/dbraw/zinc/98/16/11/802981611.db2.gz WAHCLECECIOENT-VHSXEESVSA-N 2 2 283.376 0.515 20 0 CCADLP CCc1[nH]c(CN2CC(N3CC[NH+](C)CC3)C2)c(C)[nH+]1 ZINC001203251657 803024045 /nfs/dbraw/zinc/02/40/45/803024045.db2.gz OBMFDNDDIXQYIV-UHFFFAOYSA-N 2 2 277.416 0.712 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@H+](CC[C@H]2CCCC[NH2+]2)C1 ZINC001205664858 803153696 /nfs/dbraw/zinc/15/36/96/803153696.db2.gz PACDEXXJXSOKGK-ZIAGYGMSSA-N 3 2 255.406 0.694 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@@H+](CC[C@H]2CCCC[NH2+]2)C1 ZINC001205664858 803153699 /nfs/dbraw/zinc/15/36/99/803153699.db2.gz PACDEXXJXSOKGK-ZIAGYGMSSA-N 3 2 255.406 0.694 20 0 CCADLP COc1cccnc1C[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205674074 803154881 /nfs/dbraw/zinc/15/48/81/803154881.db2.gz YTWHBEGEUJZGOF-AWEZNQCLSA-N 2 2 265.357 0.766 20 0 CCADLP COc1cccnc1C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205674074 803154883 /nfs/dbraw/zinc/15/48/83/803154883.db2.gz YTWHBEGEUJZGOF-AWEZNQCLSA-N 2 2 265.357 0.766 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2ccc3c(n2)OCCO3)C1 ZINC001205724928 803165504 /nfs/dbraw/zinc/16/55/04/803165504.db2.gz AWBPXTUUWMXULE-HNNXBMFYSA-N 2 2 293.367 0.529 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccc3c(n2)OCCO3)C1 ZINC001205724928 803165510 /nfs/dbraw/zinc/16/55/10/803165510.db2.gz AWBPXTUUWMXULE-HNNXBMFYSA-N 2 2 293.367 0.529 20 0 CCADLP [NH3+][C@@H]1CN(Cc2ccc(-n3cc[nH+]c3)cc2)CC[C@H]1O ZINC001206092699 803205737 /nfs/dbraw/zinc/20/57/37/803205737.db2.gz SUAHIYSBYORDQC-HUUCEWRRSA-N 2 2 272.352 0.766 20 0 CCADLP N[C@@]1(C(F)(F)F)CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC001206209507 803215224 /nfs/dbraw/zinc/21/52/24/803215224.db2.gz GAVJIMQSZMXZKS-UWVGGRQHSA-N 2 2 251.296 0.952 20 0 CCADLP N[C@@]1(C(F)(F)F)CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC001206209507 803215232 /nfs/dbraw/zinc/21/52/32/803215232.db2.gz GAVJIMQSZMXZKS-UWVGGRQHSA-N 2 2 251.296 0.952 20 0 CCADLP CO[C@H](C)C[NH2+]CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001206684213 803278346 /nfs/dbraw/zinc/27/83/46/803278346.db2.gz WYNJITRFISZFLK-GFCCVEGCSA-N 2 2 294.399 0.815 20 0 CCADLP COc1cncc(C[N@H+](C)CCN2CC[NH+](C)CC2)c1 ZINC001206997750 803329274 /nfs/dbraw/zinc/32/92/74/803329274.db2.gz XUXJJFANEGHJPR-UHFFFAOYSA-N 2 2 278.400 0.769 20 0 CCADLP COc1cncc(C[N@@H+](C)CCN2CC[NH+](C)CC2)c1 ZINC001206997750 803329282 /nfs/dbraw/zinc/32/92/82/803329282.db2.gz XUXJJFANEGHJPR-UHFFFAOYSA-N 2 2 278.400 0.769 20 0 CCADLP CC(C)(CN1CC[N@@H+]2CC[C@H]2C1)[NH+]1CCOCC1 ZINC001207308141 803384420 /nfs/dbraw/zinc/38/44/20/803384420.db2.gz UCJTXLCRHISJIC-ZDUSSCGKSA-N 2 2 253.390 0.487 20 0 CCADLP CC(C)(CN1CC[N@H+]2CC[C@H]2C1)[NH+]1CCOCC1 ZINC001207308141 803384425 /nfs/dbraw/zinc/38/44/25/803384425.db2.gz UCJTXLCRHISJIC-ZDUSSCGKSA-N 2 2 253.390 0.487 20 0 CCADLP COC(=O)c1cn2c(n1)C[N@@H+](CC1CC[NH+](C)CC1)CC2 ZINC001207399692 803393456 /nfs/dbraw/zinc/39/34/56/803393456.db2.gz QZMXCBCVAUAMKC-UHFFFAOYSA-N 2 2 292.383 0.827 20 0 CCADLP COC(=O)c1cn2c(n1)C[N@H+](CC1CC[NH+](C)CC1)CC2 ZINC001207399692 803393462 /nfs/dbraw/zinc/39/34/62/803393462.db2.gz QZMXCBCVAUAMKC-UHFFFAOYSA-N 2 2 292.383 0.827 20 0 CCADLP C[NH+]1CCC(CC[NH+]2CC(N3CC[NH+](C)CC3)C2)CC1 ZINC001207486814 803411089 /nfs/dbraw/zinc/41/10/89/803411089.db2.gz DGZSBCIRVVZHQH-UHFFFAOYSA-N 3 2 280.460 0.650 20 0 CCADLP COCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208250721 803499992 /nfs/dbraw/zinc/49/99/92/803499992.db2.gz YWTYLCJDJUNFES-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP COCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208250721 803499995 /nfs/dbraw/zinc/49/99/95/803499995.db2.gz YWTYLCJDJUNFES-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP Cc1cnc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C2)o1 ZINC001208490624 803517165 /nfs/dbraw/zinc/51/71/65/803517165.db2.gz DPFGTDBDSTZPBI-DGCLKSJQSA-N 2 2 294.399 0.871 20 0 CCADLP Cc1cnc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C2)o1 ZINC001208490624 803517168 /nfs/dbraw/zinc/51/71/68/803517168.db2.gz DPFGTDBDSTZPBI-DGCLKSJQSA-N 2 2 294.399 0.871 20 0 CCADLP C[NH+](C)CCN1CCC12C[NH+](Cc1ncccc1O)C2 ZINC001276594584 803550079 /nfs/dbraw/zinc/55/00/79/803550079.db2.gz YTVZPWYCSBWVBR-UHFFFAOYSA-N 2 2 276.384 0.609 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1C ZINC001209635296 803618899 /nfs/dbraw/zinc/61/88/99/803618899.db2.gz QAUQBUGENZYXFR-VXGBXAGGSA-N 2 2 259.369 0.734 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1C ZINC001209635296 803618902 /nfs/dbraw/zinc/61/89/02/803618902.db2.gz QAUQBUGENZYXFR-VXGBXAGGSA-N 2 2 259.369 0.734 20 0 CCADLP Nc1cc[nH+]cc1C[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC001209738055 803626947 /nfs/dbraw/zinc/62/69/47/803626947.db2.gz VDDIBJBYXMNFHM-UHFFFAOYSA-N 2 2 276.340 0.959 20 0 CCADLP O=c1[nH]cnc(O)c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210262878 803644389 /nfs/dbraw/zinc/64/43/89/803644389.db2.gz NRBYUGCKEMSASD-UHFFFAOYSA-N 2 2 288.311 0.436 20 0 CCADLP CC[NH2+]C[C@H](NC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001276687733 803656251 /nfs/dbraw/zinc/65/62/51/803656251.db2.gz UJGJVYDSARNTBK-LBPRGKRZSA-N 2 2 250.346 0.467 20 0 CCADLP CO[C@@H]1C[N@@H+](C(C)C)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001213977421 803709049 /nfs/dbraw/zinc/70/90/49/803709049.db2.gz CGDMDMBFPYYVQB-ZIAGYGMSSA-N 2 2 294.399 0.887 20 0 CCADLP CO[C@@H]1C[N@H+](C(C)C)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001213977421 803709053 /nfs/dbraw/zinc/70/90/53/803709053.db2.gz CGDMDMBFPYYVQB-ZIAGYGMSSA-N 2 2 294.399 0.887 20 0 CCADLP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001214531161 803748317 /nfs/dbraw/zinc/74/83/17/803748317.db2.gz QUWWSBDZGAECGZ-FRRDWIJNSA-N 2 2 294.399 0.814 20 0 CCADLP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c[nH+]ccc1N ZINC001276712870 803753247 /nfs/dbraw/zinc/75/32/47/803753247.db2.gz BAHPKNFYCYNJLU-GASCZTMLSA-N 3 2 289.427 0.704 20 0 CCADLP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH+]ccc1N ZINC001276712870 803753252 /nfs/dbraw/zinc/75/32/52/803753252.db2.gz BAHPKNFYCYNJLU-GASCZTMLSA-N 3 2 289.427 0.704 20 0 CCADLP C[N@H+](C[C@H](O)COc1ccccc1C#N)[C@H](C[NH3+])C1CC1 ZINC000402212020 803816938 /nfs/dbraw/zinc/81/69/38/803816938.db2.gz MFEIPKNZMADOGB-LSDHHAIUSA-N 2 2 289.379 0.967 20 0 CCADLP C[N@@H+](C[C@H](O)COc1ccccc1C#N)[C@H](C[NH3+])C1CC1 ZINC000402212020 803816945 /nfs/dbraw/zinc/81/69/45/803816945.db2.gz MFEIPKNZMADOGB-LSDHHAIUSA-N 2 2 289.379 0.967 20 0 CCADLP CC[C@H](C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C)OC ZINC001216065541 803833264 /nfs/dbraw/zinc/83/32/64/803833264.db2.gz RHQUUYUKJQMULV-JHJVBQTASA-N 2 2 294.399 0.814 20 0 CCADLP COCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001216975430 803861906 /nfs/dbraw/zinc/86/19/06/803861906.db2.gz SXHYCWGGPAPZJN-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP COc1cc(OC)cc(-c2nnc([C@H]3C[NH2+]C[C@@H]3[NH3+])o2)c1 ZINC001217744321 803909732 /nfs/dbraw/zinc/90/97/32/803909732.db2.gz MHXOTDBVWUDUKO-RYUDHWBXSA-N 2 2 290.323 0.768 20 0 CCADLP COC(=O)[C@@H]1C[C@H](OCc2ccc3c(c2)CC[NH2+]C3)C[NH2+]1 ZINC001217823381 803917295 /nfs/dbraw/zinc/91/72/95/803917295.db2.gz UVRKHTYLCKNJAK-GJZGRUSLSA-N 2 2 290.363 0.752 20 0 CCADLP COC(=O)[C@H]1[NH2+]CC[C@H]1Oc1ccc2c(c1)CC[NH2+]C2 ZINC001218347629 803950569 /nfs/dbraw/zinc/95/05/69/803950569.db2.gz KZIKHTHKEBJSET-KGLIPLIRSA-N 2 2 276.336 0.615 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2nc3c(s2)CCC3)C1 ZINC001218517389 803979764 /nfs/dbraw/zinc/97/97/64/803979764.db2.gz GXDNPEKYJUBOMN-SVRRBLITSA-N 2 2 252.343 0.260 20 0 CCADLP Cc1nc2sccc2c(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)n1 ZINC001218518918 803982108 /nfs/dbraw/zinc/98/21/08/803982108.db2.gz VREMCKZMLQMGJX-APPZFPTMSA-N 2 2 277.353 0.627 20 0 CCADLP COc1ccc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c(C)n1 ZINC001218537992 803992647 /nfs/dbraw/zinc/99/26/47/803992647.db2.gz OEYHLPHVXNGATC-SCZZXKLOSA-N 2 2 250.302 0.026 20 0 CCADLP [NH3+]C1(C(=O)Nc2ccc(Br)nc2)CC[NH2+]CC1 ZINC001218538816 803994771 /nfs/dbraw/zinc/99/47/71/803994771.db2.gz RFJXYKVOXUSYJW-UHFFFAOYSA-N 2 2 299.172 0.864 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(Br)nc1 ZINC001218538746 803995094 /nfs/dbraw/zinc/99/50/94/803995094.db2.gz QYPATXSWBGHTSL-YUMQZZPRSA-N 2 2 285.145 0.329 20 0 CCADLP CCc1cc(C(=O)OC)c(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])s1 ZINC001218547504 803999661 /nfs/dbraw/zinc/99/96/61/803999661.db2.gz LQRLIQMHEAQRDA-UWVGGRQHSA-N 2 2 297.380 0.582 20 0 CCADLP Nc1cc[nH+]c(-c2cc(NC(=O)CNCC[NH3+])ccn2)c1 ZINC001218613087 804034267 /nfs/dbraw/zinc/03/42/67/804034267.db2.gz JYISXYFINRHHDW-UHFFFAOYSA-N 2 2 286.339 0.213 20 0 CCADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)Nc1ccc[nH]c1=S ZINC001218621601 804039520 /nfs/dbraw/zinc/03/95/20/804039520.db2.gz KDDOMOBLBPXLOQ-SNVBAGLBSA-N 2 2 295.412 0.059 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1csc(Br)n1 ZINC001218626078 804042105 /nfs/dbraw/zinc/04/21/05/804042105.db2.gz DNSJGTUQECBWDI-BYPYZUCNSA-N 2 2 279.163 0.520 20 0 CCADLP CCOC(=O)c1cc(NC(=O)[C@@H]([NH3+])CC[NH3+])cnc1C ZINC001218636862 804050709 /nfs/dbraw/zinc/05/07/09/804050709.db2.gz LDVBZXNIKQNNQZ-NSHDSACASA-N 2 2 280.328 0.181 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cc(-c3ccccn3)no2)C1 ZINC001218638476 804052328 /nfs/dbraw/zinc/05/23/28/804052328.db2.gz PSRRHCMIXGADPM-KCJUWKMLSA-N 2 2 273.296 0.364 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cnc2ccc(O)cc2c1 ZINC001218639036 804053612 /nfs/dbraw/zinc/05/36/12/804053612.db2.gz AJOACTAJLOXICR-NSHDSACASA-N 2 2 260.297 0.555 20 0 CCADLP [NH3+]C1(C(=O)Nc2c[nH]c3cccnc23)CC[NH2+]CC1 ZINC001218641740 804055926 /nfs/dbraw/zinc/05/59/26/804055926.db2.gz YYMQKEIQBKDWJP-UHFFFAOYSA-N 2 2 259.313 0.582 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1noc2cnccc21 ZINC001218645839 804057100 /nfs/dbraw/zinc/05/71/00/804057100.db2.gz KMRANHBQIFICLR-UHFFFAOYSA-N 2 2 275.312 0.503 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1nsc2ncccc12 ZINC001218651412 804060757 /nfs/dbraw/zinc/06/07/57/804060757.db2.gz JZQQCWMEEJDBJS-ZETCQYMHSA-N 2 2 251.315 0.306 20 0 CCADLP COc1nc(Cl)ccc1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218673760 804075586 /nfs/dbraw/zinc/07/55/86/804075586.db2.gz DKHBDIJLQOCEHZ-RBDZCENOSA-N 2 2 296.758 0.904 20 0 CCADLP CN(C(=O)C[NH2+]C1CC[NH2+]CC1)c1nc(Cl)ccc1N ZINC001218682141 804078459 /nfs/dbraw/zinc/07/84/59/804078459.db2.gz GRTPKJDSGJGVPK-UHFFFAOYSA-N 2 2 297.790 0.622 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(C2CCC2)nc1 ZINC001218741642 804103447 /nfs/dbraw/zinc/10/34/47/804103447.db2.gz XPPXPXFBTNNKRV-RYUDHWBXSA-N 2 2 260.341 0.834 20 0 CCADLP O=C(Nc1ccnn1-c1cc[nH+]cc1)[C@@H]1COCC[NH2+]1 ZINC001218743105 804105941 /nfs/dbraw/zinc/10/59/41/804105941.db2.gz ODENGCZEBUODTF-NSHDSACASA-N 2 2 273.296 0.194 20 0 CCADLP Nc1cnc(N(C(=O)[C@@H]([NH3+])CC[NH3+])C2CCCC2)nc1 ZINC001218748703 804107569 /nfs/dbraw/zinc/10/75/69/804107569.db2.gz SLEBCNNPQKKTAO-NSHDSACASA-N 2 2 278.360 0.011 20 0 CCADLP [NH3+]C1(C(=O)Nc2ccnn2Br)CC[NH2+]CC1 ZINC001218771468 804115871 /nfs/dbraw/zinc/11/58/71/804115871.db2.gz AFAUBBWFSVJNMW-UHFFFAOYSA-N 2 2 288.149 0.061 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC001218817492 804131665 /nfs/dbraw/zinc/13/16/65/804131665.db2.gz ASDDKHCPVDSLGY-STQMWFEESA-N 2 2 288.351 0.299 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc2[nH]nc(Cl)c2c1 ZINC001218822732 804133494 /nfs/dbraw/zinc/13/34/94/804133494.db2.gz DUEYBNFXPCIOTR-IUCAKERBSA-N 2 2 279.731 0.702 20 0 CCADLP Cn1cnc2ccc(NC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)cc21 ZINC001218886227 804147360 /nfs/dbraw/zinc/14/73/60/804147360.db2.gz TYYVSBZDHKVWRG-KCJUWKMLSA-N 2 2 259.313 0.201 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc(-c2ccncn2)cc1 ZINC001218977052 804171245 /nfs/dbraw/zinc/17/12/45/804171245.db2.gz HPKNETZIJOYDKL-LBPRGKRZSA-N 2 2 271.324 0.758 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc(F)cc1N1CCOCC1 ZINC001219163764 804223127 /nfs/dbraw/zinc/22/31/27/804223127.db2.gz HCOKRYRLJJEQEH-NSHDSACASA-N 2 2 296.346 0.277 20 0 CCADLP Cc1cc(N)ccc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001219316670 804268464 /nfs/dbraw/zinc/26/84/64/804268464.db2.gz CZZLBMPDWVMMLN-LBPRGKRZSA-N 2 2 273.340 0.819 20 0 CCADLP COc1cc2[nH]ccc2c(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c1 ZINC001219362581 804284952 /nfs/dbraw/zinc/28/49/52/804284952.db2.gz OIWARUZUJDNJIG-QWRGUYRKSA-N 2 2 274.324 0.662 20 0 CCADLP CN1Cc2c(NC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)cccc2NC1=O ZINC001219530005 804339328 /nfs/dbraw/zinc/33/93/28/804339328.db2.gz GUUXZGKFQVRJHG-PELKAZGASA-N 2 2 289.339 0.292 20 0 CCADLP Cc1cccnc1CCCNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001219571129 804354821 /nfs/dbraw/zinc/35/48/21/804354821.db2.gz BQUKZVSRUJYPFE-YPMHNXCESA-N 2 2 262.357 0.128 20 0 CCADLP Cc1ncc(CNC(=O)C2([NH3+])CC[NH2+]CC2)s1 ZINC001219595856 804366378 /nfs/dbraw/zinc/36/63/78/804366378.db2.gz TUANIMFPRRGSRD-UHFFFAOYSA-N 2 2 254.359 0.149 20 0 CCADLP Cc1ncc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)s1 ZINC001219595881 804367445 /nfs/dbraw/zinc/36/74/45/804367445.db2.gz URGOLIOYYJAUAC-JOYOIKCWSA-N 2 2 266.370 0.019 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)CC2CC[NH2+]CC2)c1 ZINC000313220634 804385364 /nfs/dbraw/zinc/38/53/64/804385364.db2.gz XNGLBACDNQNFFH-UHFFFAOYSA-N 2 2 250.346 0.469 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])c2ccsc2)C1 ZINC001219694190 804406648 /nfs/dbraw/zinc/40/66/48/804406648.db2.gz GQYRFHZRECAKSM-MNOVXSKESA-N 2 2 269.370 0.195 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])c2ccsc2)C1 ZINC001219694190 804406655 /nfs/dbraw/zinc/40/66/55/804406655.db2.gz GQYRFHZRECAKSM-MNOVXSKESA-N 2 2 269.370 0.195 20 0 CCADLP CC[C@@H](C)C[N@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001219774415 804421258 /nfs/dbraw/zinc/42/12/58/804421258.db2.gz MGTGJLIJWNDMJQ-BNOWGMLFSA-N 2 2 294.399 0.550 20 0 CCADLP CC[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001219774415 804421263 /nfs/dbraw/zinc/42/12/63/804421263.db2.gz MGTGJLIJWNDMJQ-BNOWGMLFSA-N 2 2 294.399 0.550 20 0 CCADLP CC[C@@H](C)C[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001219774415 804421267 /nfs/dbraw/zinc/42/12/67/804421267.db2.gz MGTGJLIJWNDMJQ-BNOWGMLFSA-N 2 2 294.399 0.550 20 0 CCADLP CC[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001219774415 804421271 /nfs/dbraw/zinc/42/12/71/804421271.db2.gz MGTGJLIJWNDMJQ-BNOWGMLFSA-N 2 2 294.399 0.550 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1cccc(-n2cccn2)c1 ZINC001220010501 804470410 /nfs/dbraw/zinc/47/04/10/804470410.db2.gz CGGSZUGEFQUHFH-KBPBESRZSA-N 2 2 285.351 0.035 20 0 CCADLP Cc1cnc(=O)[nH]c1NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220125023 804505754 /nfs/dbraw/zinc/50/57/54/804505754.db2.gz UYPNZUAWSINATF-NSHDSACASA-N 2 2 287.323 0.701 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001220221108 804541086 /nfs/dbraw/zinc/54/10/86/804541086.db2.gz RANPHROYAGTSDB-IHRRRGAJSA-N 3 2 293.415 0.279 20 0 CCADLP CC[C@H](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220240470 804546624 /nfs/dbraw/zinc/54/66/24/804546624.db2.gz LQFROAMDYVGIMM-FPYNETTCSA-N 2 2 253.390 0.877 20 0 CCADLP CCCCC[C@H]([NH2+]C)C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001220290756 804564690 /nfs/dbraw/zinc/56/46/90/804564690.db2.gz DDPKCJAOFWYUCW-OLZOCXBDSA-N 2 2 282.388 0.598 20 0 CCADLP CCCCC[C@H]([NH2+]C)C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001220290756 804564695 /nfs/dbraw/zinc/56/46/95/804564695.db2.gz DDPKCJAOFWYUCW-OLZOCXBDSA-N 2 2 282.388 0.598 20 0 CCADLP [NH3+]C1(C(=O)NC[C@@H](CO)Cc2ccccc2)CC[NH2+]CC1 ZINC001220405762 804597833 /nfs/dbraw/zinc/59/78/33/804597833.db2.gz CUMLTPZISZTTAX-AWEZNQCLSA-N 2 2 291.395 0.035 20 0 CCADLP [NH3+]C1(C(=O)NC[C@H](O)C2CCCCC2)CC[NH2+]CC1 ZINC001220466628 804610486 /nfs/dbraw/zinc/61/04/86/804610486.db2.gz GPEBNSKQODXQIL-LBPRGKRZSA-N 2 2 269.389 0.125 20 0 CCADLP COC(C)(CNC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)OC ZINC001220509329 804616360 /nfs/dbraw/zinc/61/63/60/804616360.db2.gz UFKRNYVIRHROHG-LBPRGKRZSA-N 2 2 281.356 0.384 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC001220501654 804617068 /nfs/dbraw/zinc/61/70/68/804617068.db2.gz SKXSYCQPZRXFKY-CHWSQXEVSA-N 3 2 273.340 0.096 20 0 CCADLP [NH3+][C@H](C(=O)NCC[NH+]1CC2(COC2)C1)C1CCCCC1 ZINC001220571379 804627721 /nfs/dbraw/zinc/62/77/21/804627721.db2.gz PZBNPRXNQMZZJV-ZDUSSCGKSA-N 2 2 281.400 0.342 20 0 CCADLP C[C@H](CCc1ccccc1)NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220577219 804630551 /nfs/dbraw/zinc/63/05/51/804630551.db2.gz ITHFNSNXAAIBFW-BNOWGMLFSA-N 2 2 261.369 0.813 20 0 CCADLP [NH3+]C1(C(=O)N[C@@H]2COCc3ccccc32)CC[NH2+]CC1 ZINC001220658112 804644324 /nfs/dbraw/zinc/64/43/24/804644324.db2.gz OUKZDTNMISAAJZ-CYBMUJFWSA-N 2 2 275.352 0.455 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cc(F)cnc1Cl ZINC001220810704 804671769 /nfs/dbraw/zinc/67/17/69/804671769.db2.gz QEEFDSKIBPWQOP-JTQLQIEISA-N 2 2 297.721 0.783 20 0 CCADLP CCc1ccc(CN(CC[NH3+])C(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)cc1 ZINC001220904761 804697205 /nfs/dbraw/zinc/69/72/05/804697205.db2.gz BJZDJQJHKIQSJY-GJZGRUSLSA-N 3 2 290.411 0.226 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@@H]1CCc2ccccc21 ZINC001221102766 804729823 /nfs/dbraw/zinc/72/98/23/804729823.db2.gz AADSTJBOAHCDQP-UBHSHLNASA-N 2 2 259.353 0.379 20 0 CCADLP CCCC[C@H](NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)C(N)=O ZINC001221235176 804752543 /nfs/dbraw/zinc/75/25/43/804752543.db2.gz VAMTUCUQZBTNGS-STQMWFEESA-N 2 2 292.383 0.419 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC[C@H](O)c2cc3ccccc3o2)C1 ZINC001221328584 804776841 /nfs/dbraw/zinc/77/68/41/804776841.db2.gz ASTAPITWCOTVRQ-WOPDTQHZSA-N 2 2 289.335 0.272 20 0 CCADLP O=C(NCCOc1cc[nH+]cc1)[C@@H]1CC[NH2+]C[C@H]1F ZINC001221393923 804798948 /nfs/dbraw/zinc/79/89/48/804798948.db2.gz ROYRSYAZHGUFDK-VXGBXAGGSA-N 2 2 267.304 0.524 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCCOc2cc[nH+]cc2)C1 ZINC001221394289 804800039 /nfs/dbraw/zinc/80/00/39/804800039.db2.gz ZBENBMXZEVGJDX-YPMHNXCESA-N 2 2 263.341 0.965 20 0 CCADLP COc1ncc(F)cc1C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222099550 804869025 /nfs/dbraw/zinc/86/90/25/804869025.db2.gz HIFXWWRLJHEMJW-UHFFFAOYSA-N 2 2 294.374 0.757 20 0 CCADLP COc1ncc(F)cc1C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222099550 804869032 /nfs/dbraw/zinc/86/90/32/804869032.db2.gz HIFXWWRLJHEMJW-UHFFFAOYSA-N 2 2 294.374 0.757 20 0 CCADLP CC[NH+]1CCC([NH2+]CCN2CCC(O)CC2)CC1 ZINC000321420875 805027028 /nfs/dbraw/zinc/02/70/28/805027028.db2.gz VMGOGZZLKMZTED-UHFFFAOYSA-N 2 2 255.406 0.517 20 0 CCADLP CC[NH+]1CCC(NCC[NH+]2CCC(O)CC2)CC1 ZINC000321420875 805027046 /nfs/dbraw/zinc/02/70/46/805027046.db2.gz VMGOGZZLKMZTED-UHFFFAOYSA-N 2 2 255.406 0.517 20 0 CCADLP CO[C@H](C)C[NH+]1CCC(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001224958597 805095776 /nfs/dbraw/zinc/09/57/76/805095776.db2.gz YATLCPCZJONOJD-GFCCVEGCSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H](CC(=O)N[C@H]1C[C@H](C[NH2+]CCCO)C1)n1cc[nH+]c1 ZINC001277053040 805139030 /nfs/dbraw/zinc/13/90/30/805139030.db2.gz AFWSEZDSSUEODQ-IHRRRGAJSA-N 2 2 294.399 0.701 20 0 CCADLP CO[C@H](C)C[NH+]1CCC(NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001227138855 805326757 /nfs/dbraw/zinc/32/67/57/805326757.db2.gz TXSLODLSFKLBGO-GFCCVEGCSA-N 2 2 294.399 0.958 20 0 CCADLP COCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001227840025 805396356 /nfs/dbraw/zinc/39/63/56/805396356.db2.gz UUJFRZKLSBDRFZ-ZIAGYGMSSA-N 2 2 294.399 0.937 20 0 CCADLP C[NH+](C)CCC(=O)NC1CC[NH+](Cc2ncccn2)CC1 ZINC001228991187 805493603 /nfs/dbraw/zinc/49/36/03/805493603.db2.gz FCQXRAAJFWLQCN-UHFFFAOYSA-N 2 2 291.399 0.509 20 0 CCADLP CCOC(=O)[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@@H](C)O ZINC001168297946 815082474 /nfs/dbraw/zinc/08/24/74/815082474.db2.gz QHOAOIIQZOPKON-XVSSEFHLSA-N 2 2 272.389 0.761 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CC2CC2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000989611788 815084677 /nfs/dbraw/zinc/08/46/77/815084677.db2.gz IUGCQPYLXJPEKP-JQWIXIFHSA-N 2 2 262.357 0.941 20 0 CCADLP COCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCn2cc[nH+]c2)C1 ZINC001278389978 807060539 /nfs/dbraw/zinc/06/05/39/807060539.db2.gz BKPLULNWWNSBSR-OLZOCXBDSA-N 2 2 280.372 0.499 20 0 CCADLP Cc1cc(-c2ccc(N3CC[NH2+]CC3)nn2)c[nH+]c1N ZINC001245536467 807084641 /nfs/dbraw/zinc/08/46/41/807084641.db2.gz QPYGEUCDARNYEB-UHFFFAOYSA-N 2 2 270.340 0.839 20 0 CCADLP CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000989730912 815089122 /nfs/dbraw/zinc/08/91/22/815089122.db2.gz RPHNOIQQRJLUHO-ONGXEEELSA-N 2 2 250.346 0.860 20 0 CCADLP COCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001278417632 807097653 /nfs/dbraw/zinc/09/76/53/807097653.db2.gz VRESVGFCDDOCNS-ZYHUDNBSSA-N 2 2 280.372 0.486 20 0 CCADLP COc1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCC[NH2+]1 ZINC001245984256 807106483 /nfs/dbraw/zinc/10/64/83/807106483.db2.gz WGUIUJIEGIBMAI-OLZOCXBDSA-N 2 2 280.368 0.777 20 0 CCADLP CC(C)[C@H](O)C[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001245987460 807108277 /nfs/dbraw/zinc/10/82/77/807108277.db2.gz SCHNUVPTVYMCPM-QWHCGFSZSA-N 3 2 255.406 0.467 20 0 CCADLP Cc1ccc(OC[C@H](O)C[NH2+]CCC[NH2+]CCC[NH3+])cc1 ZINC001246008769 807114288 /nfs/dbraw/zinc/11/42/88/807114288.db2.gz HDNVRKVNFWDYCI-OAHLLOKOSA-N 3 2 295.427 0.653 20 0 CCADLP O[C@@H](C[NH2+]C[C@@H]1C[NH2+]CCN1)COc1ccc(Cl)cc1 ZINC001246017778 807117770 /nfs/dbraw/zinc/11/77/70/807117770.db2.gz ZMVQWUXYNTYHIY-STQMWFEESA-N 2 2 299.802 0.231 20 0 CCADLP COc1ccc(OC[C@@H](O)C[NH+]2CC(C)(C[NH3+])C2)cc1 ZINC001246033401 807128673 /nfs/dbraw/zinc/12/86/73/807128673.db2.gz LFJRZYOGDFEIBZ-LBPRGKRZSA-N 2 2 280.368 0.716 20 0 CCADLP [NH3+][C@]12CC[C@H]1C[N@H+](C[C@@H](O)COc1cccc(F)c1)C2 ZINC001246044875 807132432 /nfs/dbraw/zinc/13/24/32/807132432.db2.gz HOUYOPLPJPVYJA-LNSITVRQSA-N 2 2 280.343 0.989 20 0 CCADLP [NH3+][C@]12CC[C@H]1C[N@@H+](C[C@@H](O)COc1cccc(F)c1)C2 ZINC001246044875 807132437 /nfs/dbraw/zinc/13/24/37/807132437.db2.gz HOUYOPLPJPVYJA-LNSITVRQSA-N 2 2 280.343 0.989 20 0 CCADLP C[C@H]([NH3+])C[N@H+](C)C[C@H](O)COCC(F)(F)C(F)F ZINC001246060518 807137560 /nfs/dbraw/zinc/13/75/60/807137560.db2.gz USQWROXAOFUYGT-YUMQZZPRSA-N 2 2 276.274 0.543 20 0 CCADLP C[C@H]([NH3+])C[N@@H+](C)C[C@H](O)COCC(F)(F)C(F)F ZINC001246060518 807137564 /nfs/dbraw/zinc/13/75/64/807137564.db2.gz USQWROXAOFUYGT-YUMQZZPRSA-N 2 2 276.274 0.543 20 0 CCADLP O[C@H](C[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1)C(F)(F)F ZINC001246061003 807137725 /nfs/dbraw/zinc/13/77/25/807137725.db2.gz SJJLYIWKIDCKNB-OPRDCNLKSA-N 2 2 252.280 0.984 20 0 CCADLP O[C@H](C[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1)C(F)(F)F ZINC001246061003 807137728 /nfs/dbraw/zinc/13/77/28/807137728.db2.gz SJJLYIWKIDCKNB-OPRDCNLKSA-N 2 2 252.280 0.984 20 0 CCADLP C([NH2+]C1CCOCC1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246140298 807163915 /nfs/dbraw/zinc/16/39/15/807163915.db2.gz GSYBDYWIYIUPRM-CYBMUJFWSA-N 3 2 253.390 0.629 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H](NCC[C@@H]2CCCC[NH2+]2)C[NH2+]1 ZINC001246242609 807196606 /nfs/dbraw/zinc/19/66/06/807196606.db2.gz FXPFZKIJAHUGOB-KCQAQPDRSA-N 2 2 283.416 0.792 20 0 CCADLP CCC[NH2+]CC[NH2+][C@H]1CC[C@@H](C(=O)OCC)NC1 ZINC001246267057 807202567 /nfs/dbraw/zinc/20/25/67/807202567.db2.gz FFPYVBWRJJFIOK-RYUDHWBXSA-N 2 2 257.378 0.259 20 0 CCADLP CCC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@H](O)C(=O)NC1CC1 ZINC001246290559 807210729 /nfs/dbraw/zinc/21/07/29/807210729.db2.gz CPBHEAGFRLCYNC-AGIUHOORSA-N 2 2 269.389 0.136 20 0 CCADLP COc1cccc(C[C@H](C)[NH2+][C@@H]2C[NH2+]C[C@@H]2CO)c1 ZINC001246298973 807212642 /nfs/dbraw/zinc/21/26/42/807212642.db2.gz JGCALRGFYKMYIH-NJZAAPMLSA-N 2 2 264.369 0.796 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@@H]1[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001246302233 807214176 /nfs/dbraw/zinc/21/41/76/807214176.db2.gz CCUBAWFRPKNHTE-MJVIPROJSA-N 2 2 250.317 0.463 20 0 CCADLP COc1ccccc1C[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1CO ZINC001246304081 807215712 /nfs/dbraw/zinc/21/57/12/807215712.db2.gz GTQQNKDJVYWMLT-FPMFFAJLSA-N 2 2 264.369 0.796 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N2c3ccccc3OC[C@H]2C[NH3+])C[NH2+]1 ZINC001246318928 807219668 /nfs/dbraw/zinc/21/96/68/807219668.db2.gz UKLIPXJMHUNLMO-UTUOFQBUSA-N 2 2 291.351 0.116 20 0 CCADLP c1nnnn1-c1ccccc1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246318349 807220070 /nfs/dbraw/zinc/22/00/70/807220070.db2.gz RGHKRVHPXUUSRB-GFCCVEGCSA-N 2 2 258.329 0.504 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@@H](NC[C@H]([NH3+])C(C)C)C[NH2+]1 ZINC001246331130 807223528 /nfs/dbraw/zinc/22/35/28/807223528.db2.gz IGSVCULYQZBUJV-NTZNESFSSA-N 2 2 257.378 0.243 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2N2CCOCC2)C[NH2+]1 ZINC001246338020 807226776 /nfs/dbraw/zinc/22/67/76/807226776.db2.gz WAIQBHBLWHKFFL-CBBWQLFWSA-N 2 2 267.417 0.970 20 0 CCADLP CC[C@@H]1CC([NH2+]CCN2CC[NH2+]CC2=O)C[C@@H](CC)[NH2+]1 ZINC001246356907 807231752 /nfs/dbraw/zinc/23/17/52/807231752.db2.gz QWKQRENRIHWLRF-CHWSQXEVSA-N 3 2 282.432 0.317 20 0 CCADLP CC(C)(C)[C@H]1C[C@H]([NH2+]CCN2CC[NH2+]CC2=O)CC[NH2+]1 ZINC001246356345 807231830 /nfs/dbraw/zinc/23/18/30/807231830.db2.gz NJHJWBAJDMISOK-CHWSQXEVSA-N 3 2 282.432 0.175 20 0 CCADLP C[C@H]1CC[C@@H]([NH2+][C@H]2CCN(C(=O)C3CCOCC3)C2)C[NH2+]1 ZINC001246361393 807233937 /nfs/dbraw/zinc/23/39/37/807233937.db2.gz OALFQMJEGWRZAE-CFVMTHIKSA-N 2 2 295.427 0.744 20 0 CCADLP COC(=O)[C@H](CCC[NH3+])[NH2+][C@@H](C)Cc1ccccn1 ZINC001246401449 807243514 /nfs/dbraw/zinc/24/35/14/807243514.db2.gz LJECZMCMTLYDGB-AAEUAGOBSA-N 2 2 265.357 0.883 20 0 CCADLP COC(=O)CC[C@H](C)[NH2+][C@@H](CCC[NH3+])C(=O)OC ZINC001246401144 807243956 /nfs/dbraw/zinc/24/39/56/807243956.db2.gz KXNKMFMNVSWJFR-UWVGGRQHSA-N 2 2 260.334 0.198 20 0 CCADLP CC(C)(C)OC(=O)C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(N)=O ZINC001246442246 807251459 /nfs/dbraw/zinc/25/14/59/807251459.db2.gz ILDWMURNXJETNK-MBYGNEARSA-N 2 2 297.399 0.445 20 0 CCADLP COC(=O)[C@H]([NH3+])Cc1cn([C@@H]2CC[NH2+][C@H](C)C2)cn1 ZINC001246521680 807271661 /nfs/dbraw/zinc/27/16/61/807271661.db2.gz IYLCHVBTXQVVCL-YUSALJHKSA-N 2 2 266.345 0.239 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2[C@@H](C)CC[C@H]2C[NH3+])CO1 ZINC001246540052 807277154 /nfs/dbraw/zinc/27/71/54/807277154.db2.gz FDJRLLFBRACPIW-CYDGBPFRSA-N 2 2 270.373 0.909 20 0 CCADLP [NH3+][C@@H]1C[N@@H+]([C@H]2CCN(Cc3ccccc3)C(=O)C2)C[C@H]1O ZINC001246562308 807290882 /nfs/dbraw/zinc/29/08/82/807290882.db2.gz ZKIBVEVRROUMCO-RRFJBIMHSA-N 2 2 289.379 0.181 20 0 CCADLP [NH3+][C@@H]1C[N@H+]([C@H]2CCN(Cc3ccccc3)C(=O)C2)C[C@H]1O ZINC001246562308 807290887 /nfs/dbraw/zinc/29/08/87/807290887.db2.gz ZKIBVEVRROUMCO-RRFJBIMHSA-N 2 2 289.379 0.181 20 0 CCADLP CC(=O)N1CCC(N2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)CC1 ZINC001246619418 807325948 /nfs/dbraw/zinc/32/59/48/807325948.db2.gz RAXRJMMWSYKNNH-GJZGRUSLSA-N 2 2 280.416 0.023 20 0 CCADLP CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+]([C@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246711257 807363392 /nfs/dbraw/zinc/36/33/92/807363392.db2.gz SUBHWLOTVFTEED-QVHKTLOISA-N 2 2 281.400 0.354 20 0 CCADLP CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+]([C@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246711257 807363401 /nfs/dbraw/zinc/36/34/01/807363401.db2.gz SUBHWLOTVFTEED-QVHKTLOISA-N 2 2 281.400 0.354 20 0 CCADLP COCC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246782975 807377511 /nfs/dbraw/zinc/37/75/11/807377511.db2.gz YUOXJKCHUUQBMU-OAHLLOKOSA-N 3 2 296.459 0.123 20 0 CCADLP COCC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246782975 807377520 /nfs/dbraw/zinc/37/75/20/807377520.db2.gz YUOXJKCHUUQBMU-OAHLLOKOSA-N 3 2 296.459 0.123 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCCC3(C[NH2+]C3)C2)CN1 ZINC001246792857 807381779 /nfs/dbraw/zinc/38/17/79/807381779.db2.gz RLYBRPYAKIPYLF-OLZOCXBDSA-N 2 2 281.400 0.356 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CCCC3(C[NH2+]C3)C2)CN1 ZINC001246792857 807381787 /nfs/dbraw/zinc/38/17/87/807381787.db2.gz RLYBRPYAKIPYLF-OLZOCXBDSA-N 2 2 281.400 0.356 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H](n2cc[nH+]c2[C@H]2CCC[NH2+]C2)CN1 ZINC001246850748 807406830 /nfs/dbraw/zinc/40/68/30/807406830.db2.gz WTLRSDOMVGTIOU-XQQFMLRXSA-N 2 2 292.383 0.816 20 0 CCADLP COCCC[NH+]1CCC([N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246857488 807409106 /nfs/dbraw/zinc/40/91/06/807409106.db2.gz ZVSXRENRIVYLEH-HIFRSBDPSA-N 3 2 267.417 0.910 20 0 CCADLP COCCC[NH+]1CCC([N@H+]2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246857488 807409108 /nfs/dbraw/zinc/40/91/08/807409108.db2.gz ZVSXRENRIVYLEH-HIFRSBDPSA-N 3 2 267.417 0.910 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)O3)C[C@@H]1[NH3+] ZINC001246937245 807435741 /nfs/dbraw/zinc/43/57/41/807435741.db2.gz MDGQZMVRRMSIBU-FGLXMSFASA-N 2 2 254.330 0.129 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)O3)C[C@@H]1[NH3+] ZINC001246937245 807435743 /nfs/dbraw/zinc/43/57/43/807435743.db2.gz MDGQZMVRRMSIBU-FGLXMSFASA-N 2 2 254.330 0.129 20 0 CCADLP CCC[N@H+]1C[C@@H]2C[NH+]([C@@H]3CN[C@H](C(=O)OC)C3)C[C@@H]2C1 ZINC001246941387 807437249 /nfs/dbraw/zinc/43/72/49/807437249.db2.gz KGPKFNAGJFWGRD-CRWXNKLISA-N 2 2 281.400 0.164 20 0 CCADLP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CN[C@H](C(=O)OC)C3)C[C@@H]2C1 ZINC001246941387 807437251 /nfs/dbraw/zinc/43/72/51/807437251.db2.gz KGPKFNAGJFWGRD-CRWXNKLISA-N 2 2 281.400 0.164 20 0 CCADLP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3CN[C@H](C(=O)OC)C3)C[C@@H]2C1 ZINC001246941387 807437253 /nfs/dbraw/zinc/43/72/53/807437253.db2.gz KGPKFNAGJFWGRD-CRWXNKLISA-N 2 2 281.400 0.164 20 0 CCADLP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CN[C@H](C(=O)OC)C3)C[C@@H]2C1 ZINC001246941387 807437258 /nfs/dbraw/zinc/43/72/58/807437258.db2.gz KGPKFNAGJFWGRD-CRWXNKLISA-N 2 2 281.400 0.164 20 0 CCADLP COc1cc(N2CCN([C@@H]3CCC[NH2+]C3)CC2)cc[nH+]1 ZINC001246962695 807441868 /nfs/dbraw/zinc/44/18/68/807441868.db2.gz CZGNHRIKAKUXBW-CQSZACIVSA-N 2 2 276.384 0.964 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N2CC[N@H+](C(C)C)[C@@H](C)C2)C[NH2+]1 ZINC001246976754 807445242 /nfs/dbraw/zinc/44/52/42/807445242.db2.gz AWVVZBNBOPAPBW-XQQFMLRXSA-N 2 2 269.389 0.304 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N2CC[N@@H+](C(C)C)[C@@H](C)C2)C[NH2+]1 ZINC001246976754 807445244 /nfs/dbraw/zinc/44/52/44/807445244.db2.gz AWVVZBNBOPAPBW-XQQFMLRXSA-N 2 2 269.389 0.304 20 0 CCADLP CCOC(=O)[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C)[NH2+]C2)CCC12C[NH2+]C2 ZINC001247003886 807453386 /nfs/dbraw/zinc/45/33/86/807453386.db2.gz BNLJPPZHGFNGTR-MJBXVCDLSA-N 3 2 295.427 0.602 20 0 CCADLP CCOC(=O)[C@@H]1C[N@H+]([C@@H]2CC[C@H](C)[NH2+]C2)CCC12C[NH2+]C2 ZINC001247003886 807453389 /nfs/dbraw/zinc/45/33/89/807453389.db2.gz BNLJPPZHGFNGTR-MJBXVCDLSA-N 3 2 295.427 0.602 20 0 CCADLP CC[C@@H](O)C[NH+]1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001251766538 807702259 /nfs/dbraw/zinc/70/22/59/807702259.db2.gz KJGOIVQUVURRAZ-CYBMUJFWSA-N 2 2 283.416 0.434 20 0 CCADLP CC[C@@H](O)C[NH+]1CCC2(CCC[N@H+]2CC(=O)NC)CC1 ZINC001251766538 807702263 /nfs/dbraw/zinc/70/22/63/807702263.db2.gz KJGOIVQUVURRAZ-CYBMUJFWSA-N 2 2 283.416 0.434 20 0 CCADLP C[C@H](O)C[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001251958193 807750585 /nfs/dbraw/zinc/75/05/85/807750585.db2.gz VOQSEKVXUGXSGZ-NWANDNLSSA-N 2 2 261.369 0.826 20 0 CCADLP COc1cccc(C[NH+]2CCC([NH2+]C[C@H](O)CO)CC2)c1 ZINC001252072976 807791205 /nfs/dbraw/zinc/79/12/05/807791205.db2.gz JZYJCOKYFDQGMY-HNNXBMFYSA-N 2 2 294.395 0.602 20 0 CCADLP CC[NH+](CC)C[C@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001253179307 808018267 /nfs/dbraw/zinc/01/82/67/808018267.db2.gz OQTVJSRSRQEKBB-SNVBAGLBSA-N 2 2 278.360 0.478 20 0 CCADLP CC[NH+](CC)C[C@H](O)CN1CC([N@@H+]2CC[C@H](F)C2)C1 ZINC001253187635 808022902 /nfs/dbraw/zinc/02/29/02/808022902.db2.gz GBAXGCDKLCOVLW-JSGCOSHPSA-N 2 2 273.396 0.417 20 0 CCADLP CC[NH+](CC)C[C@H](O)CN1CC([N@H+]2CC[C@H](F)C2)C1 ZINC001253187635 808022908 /nfs/dbraw/zinc/02/29/08/808022908.db2.gz GBAXGCDKLCOVLW-JSGCOSHPSA-N 2 2 273.396 0.417 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1C[C@H](C(=O)OC)C2(CC2)C1 ZINC001253194975 808027096 /nfs/dbraw/zinc/02/70/96/808027096.db2.gz MGSMLJTXHZDPFN-CHWSQXEVSA-N 2 2 284.400 0.574 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1C[C@H](C(=O)OC)C2(CC2)C1 ZINC001253194975 808027103 /nfs/dbraw/zinc/02/71/03/808027103.db2.gz MGSMLJTXHZDPFN-CHWSQXEVSA-N 2 2 284.400 0.574 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@@H](CO)c1ccc(O)cc1 ZINC001253413118 808064963 /nfs/dbraw/zinc/06/49/63/808064963.db2.gz YYYYPDPTVCJATM-KBPBESRZSA-N 2 2 282.384 0.764 20 0 CCADLP C[N@H+](C[C@@H](O)C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001253665960 808102143 /nfs/dbraw/zinc/10/21/43/808102143.db2.gz IRXOVSGWDZHELO-GFCCVEGCSA-N 2 2 272.389 0.715 20 0 CCADLP C[N@@H+](C[C@@H](O)C(=O)OC(C)(C)C)C1CC[NH+](C)CC1 ZINC001253665960 808102144 /nfs/dbraw/zinc/10/21/44/808102144.db2.gz IRXOVSGWDZHELO-GFCCVEGCSA-N 2 2 272.389 0.715 20 0 CCADLP CC(C)(C)OC(=O)[C@H](O)C[NH2+]CCn1cc[nH+]c1 ZINC001253668366 808106083 /nfs/dbraw/zinc/10/60/83/808106083.db2.gz WHELRDFWSWUCFS-SNVBAGLBSA-N 2 2 255.318 0.175 20 0 CCADLP CCOC(=O)CN1CCC([NH2+]CCCn2cc[nH+]c2)CC1 ZINC001254387210 808229645 /nfs/dbraw/zinc/22/96/45/808229645.db2.gz GPFJPYDRORYGIE-UHFFFAOYSA-N 2 2 294.399 0.890 20 0 CCADLP C[N@@H+]1CCC[C@H]([NH+]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001254527004 808255209 /nfs/dbraw/zinc/25/52/09/808255209.db2.gz VKXJUSGINXKEML-QWHCGFSZSA-N 2 2 251.374 0.777 20 0 CCADLP C[N@H+]1CCC[C@H]([NH+]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001254527004 808255212 /nfs/dbraw/zinc/25/52/12/808255212.db2.gz VKXJUSGINXKEML-QWHCGFSZSA-N 2 2 251.374 0.777 20 0 CCADLP C[NH+]1CCC[C@H]([N@@H+]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001254527004 808255219 /nfs/dbraw/zinc/25/52/19/808255219.db2.gz VKXJUSGINXKEML-QWHCGFSZSA-N 2 2 251.374 0.777 20 0 CCADLP C[NH+]1CCC[C@H]([N@H+]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001254527004 808255222 /nfs/dbraw/zinc/25/52/22/808255222.db2.gz VKXJUSGINXKEML-QWHCGFSZSA-N 2 2 251.374 0.777 20 0 CCADLP CNC(=O)N1CC[NH+]([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254532393 808257013 /nfs/dbraw/zinc/25/70/13/808257013.db2.gz SBICNSPVOVNCKL-LBPRGKRZSA-N 2 2 254.378 0.428 20 0 CCADLP CNC(=O)N1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254532393 808257018 /nfs/dbraw/zinc/25/70/18/808257018.db2.gz SBICNSPVOVNCKL-LBPRGKRZSA-N 2 2 254.378 0.428 20 0 CCADLP CN1C[C@@H](C[NH2+][C@@H]2CC3CC[NH+](CC3)C2)CC1=O ZINC001254840551 808285981 /nfs/dbraw/zinc/28/59/81/808285981.db2.gz IYXPVHGPCGOOBJ-CHWSQXEVSA-N 2 2 251.374 0.539 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1C[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254846364 808286344 /nfs/dbraw/zinc/28/63/44/808286344.db2.gz VTBJONSFFHWRBB-FRRDWIJNSA-N 2 2 252.358 0.869 20 0 CCADLP COC(=O)[C@@H]1C[C@H]1C[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254846367 808287114 /nfs/dbraw/zinc/28/71/14/808287114.db2.gz VTBJONSFFHWRBB-YNEHKIRRSA-N 2 2 252.358 0.869 20 0 CCADLP [NH3+][C@@H]1C[C@H]1[NH2+]C1CCN(C(=O)C(F)(F)F)CC1 ZINC001255975140 808443050 /nfs/dbraw/zinc/44/30/50/808443050.db2.gz NHHWRKKUTZZITF-HTQZYQBOSA-N 2 2 251.252 0.229 20 0 CCADLP c1cn(CC[NH2+]C2CCN(c3ncccn3)CC2)c[nH+]1 ZINC001256042877 808459577 /nfs/dbraw/zinc/45/95/77/808459577.db2.gz BQGLCLSNPCSFCI-UHFFFAOYSA-N 2 2 272.356 0.932 20 0 CCADLP C[C@@]1(O)COCC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256075382 808467107 /nfs/dbraw/zinc/46/71/07/808467107.db2.gz IEUGWXGCFPMQOQ-AWEZNQCLSA-N 2 2 254.374 0.696 20 0 CCADLP C[C@@]1(O)COCC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256075382 808467115 /nfs/dbraw/zinc/46/71/15/808467115.db2.gz IEUGWXGCFPMQOQ-AWEZNQCLSA-N 2 2 254.374 0.696 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(N3CCOC3=O)CC2)CC1 ZINC001256208363 808480055 /nfs/dbraw/zinc/48/00/55/808480055.db2.gz HLAOVSSWTLSRAY-UHFFFAOYSA-N 2 2 267.373 0.997 20 0 CCADLP C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@@H](C)C[NH+](C)C ZINC001256320403 808491927 /nfs/dbraw/zinc/49/19/27/808491927.db2.gz NAVPZEJHSWNEGF-RYUDHWBXSA-N 2 2 257.378 0.164 20 0 CCADLP O=S1(=O)CC([NH2+]C2CCC([NH+]3CCOCC3)CC2)C1 ZINC001256675788 808546623 /nfs/dbraw/zinc/54/66/23/808546623.db2.gz IHSQROOXVLNBPK-UHFFFAOYSA-N 2 2 288.413 0.016 20 0 CCADLP c1nnc2n1CC[N@@H+](C1CCC([NH+]3CCOCC3)CC1)C2 ZINC001256689485 808550226 /nfs/dbraw/zinc/55/02/26/808550226.db2.gz WLOWPHLWFVFLDA-UHFFFAOYSA-N 2 2 291.399 0.737 20 0 CCADLP c1nnc2n1CC[N@H+](C1CCC([NH+]3CCOCC3)CC1)C2 ZINC001256689485 808550231 /nfs/dbraw/zinc/55/02/31/808550231.db2.gz WLOWPHLWFVFLDA-UHFFFAOYSA-N 2 2 291.399 0.737 20 0 CCADLP COC(=O)CC[C@H](C)[NH2+][C@H](CCCC[NH3+])C(=O)OC ZINC001258357064 808675934 /nfs/dbraw/zinc/67/59/34/808675934.db2.gz ZDRLQQVARHRTNO-WDEREUQCSA-N 2 2 274.361 0.588 20 0 CCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)CCCCCC[NH3+] ZINC001261489119 808994347 /nfs/dbraw/zinc/99/43/47/808994347.db2.gz KLGZRBWRUFZRGE-GFCCVEGCSA-N 2 2 285.388 0.259 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)CC[NH2+]CC1CC1 ZINC001261886473 809120050 /nfs/dbraw/zinc/12/00/50/809120050.db2.gz FENIXHQFKHDVIZ-LBPRGKRZSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)CC[NH2+]CC1CC1 ZINC001261886473 809120052 /nfs/dbraw/zinc/12/00/52/809120052.db2.gz FENIXHQFKHDVIZ-LBPRGKRZSA-N 2 2 269.389 0.213 20 0 CCADLP CC(C)(C(=O)N1CC[C@@](C)(C[NH3+])C1)c1c[nH+]c[nH]1 ZINC001263106819 809447275 /nfs/dbraw/zinc/44/72/75/809447275.db2.gz GSVRILLGEPLMQM-ZDUSSCGKSA-N 2 2 250.346 0.885 20 0 CCADLP Cc1ccc(N)cc1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001263191789 809476815 /nfs/dbraw/zinc/47/68/15/809476815.db2.gz ADGBZIJURJSRPR-UHFFFAOYSA-N 2 2 276.384 0.730 20 0 CCADLP C[NH+]1CC(C[NH2+]C[C@@H](O)COCc2ccccc2)C1 ZINC000379476775 809512321 /nfs/dbraw/zinc/51/23/21/809512321.db2.gz VXIXKKFLHKIQSK-OAHLLOKOSA-N 2 2 264.369 0.715 20 0 CCADLP COCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001076462168 815299791 /nfs/dbraw/zinc/29/97/91/815299791.db2.gz KGVFYBRTJGAVRV-GXTWGEPZSA-N 2 2 292.383 0.142 20 0 CCADLP COCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001076462168 815299796 /nfs/dbraw/zinc/29/97/96/815299796.db2.gz KGVFYBRTJGAVRV-GXTWGEPZSA-N 2 2 292.383 0.142 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCCCC[C@H]([NH2+]CCCO)C1 ZINC001264126688 809632166 /nfs/dbraw/zinc/63/21/66/809632166.db2.gz WYBBKOZOXPSGMS-ZDUSSCGKSA-N 2 2 294.399 0.695 20 0 CCADLP C[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)C[C@H]1CCCOC1 ZINC001265040696 809698227 /nfs/dbraw/zinc/69/82/27/809698227.db2.gz FNZCMICRYOBNKB-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP C[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)C[C@H]1CCCOC1 ZINC001265040696 809698229 /nfs/dbraw/zinc/69/82/29/809698229.db2.gz FNZCMICRYOBNKB-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP CCCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001265451365 809781780 /nfs/dbraw/zinc/78/17/80/809781780.db2.gz MGWXGMRIZNEJNB-NSHDSACASA-N 2 2 250.346 0.943 20 0 CCADLP C[C@H](F)CC[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001265496476 809791553 /nfs/dbraw/zinc/79/15/53/809791553.db2.gz WBECRTNOVYWAAQ-DCAQKATOSA-N 2 2 268.336 0.937 20 0 CCADLP COCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001265792993 809855213 /nfs/dbraw/zinc/85/52/13/809855213.db2.gz ZHUXKHDZEYBFKA-VXGBXAGGSA-N 2 2 280.372 0.186 20 0 CCADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[C@H]([NH2+]CCCF)C1 ZINC001265914072 809892756 /nfs/dbraw/zinc/89/27/56/809892756.db2.gz DMIPGFZOWZNQIK-OLZOCXBDSA-N 2 2 294.374 0.996 20 0 CCADLP O=C(CC[NH+]1CCOCC1)NCC1=CC[N@H+](CCF)CC1 ZINC001279653740 809991338 /nfs/dbraw/zinc/99/13/38/809991338.db2.gz GXKCLNSSVWFUNI-UHFFFAOYSA-N 2 2 299.390 0.427 20 0 CCADLP O=C(CC[NH+]1CCOCC1)NCC1=CC[N@@H+](CCF)CC1 ZINC001279653740 809991344 /nfs/dbraw/zinc/99/13/44/809991344.db2.gz GXKCLNSSVWFUNI-UHFFFAOYSA-N 2 2 299.390 0.427 20 0 CCADLP CC(C)[N@H+](CCO)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001267274112 811078145 /nfs/dbraw/zinc/07/81/45/811078145.db2.gz QQHUKDYZSFDZLL-CHWSQXEVSA-N 2 2 294.399 0.722 20 0 CCADLP CC(C)[N@@H+](CCO)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001267274112 811078155 /nfs/dbraw/zinc/07/81/55/811078155.db2.gz QQHUKDYZSFDZLL-CHWSQXEVSA-N 2 2 294.399 0.722 20 0 CCADLP CC(C)[N@H+](CCO)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001267274112 811078166 /nfs/dbraw/zinc/07/81/66/811078166.db2.gz QQHUKDYZSFDZLL-CHWSQXEVSA-N 2 2 294.399 0.722 20 0 CCADLP CC(C)[N@@H+](CCO)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001267274112 811078177 /nfs/dbraw/zinc/07/81/77/811078177.db2.gz QQHUKDYZSFDZLL-CHWSQXEVSA-N 2 2 294.399 0.722 20 0 CCADLP Cc1ncc(C[NH2+]CCN(C)C(=O)Cc2c[nH+]c[nH]2)cn1 ZINC001267435206 811303919 /nfs/dbraw/zinc/30/39/19/811303919.db2.gz VCOQSKAZZNBNNT-UHFFFAOYSA-N 2 2 288.355 0.299 20 0 CCADLP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001077170398 815454046 /nfs/dbraw/zinc/45/40/46/815454046.db2.gz CEECIBROJAIPIT-FPQZTECRSA-N 2 2 278.356 0.085 20 0 CCADLP C[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104728924 811561005 /nfs/dbraw/zinc/56/10/05/811561005.db2.gz HTQIUORJBUGDJA-JHJVBQTASA-N 2 2 294.399 0.407 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CC[NH2+]CCO ZINC001104732070 811563635 /nfs/dbraw/zinc/56/36/35/811563635.db2.gz MGJZWMWTEFHNFY-VXGBXAGGSA-N 2 2 280.372 0.019 20 0 CCADLP CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001267811792 811807087 /nfs/dbraw/zinc/80/70/87/811807087.db2.gz XHJMBHNBNZJDNC-VXGBXAGGSA-N 2 2 264.373 0.950 20 0 CCADLP CC(C)(C(=O)N1CCC[C@@H]1C[NH2+]CCCO)c1c[nH+]c[nH]1 ZINC001267969102 811905531 /nfs/dbraw/zinc/90/55/31/811905531.db2.gz FIMSCASYWFZSNU-GFCCVEGCSA-N 2 2 294.399 0.650 20 0 CCADLP CC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001027172396 811969992 /nfs/dbraw/zinc/96/99/92/811969992.db2.gz USYOJOQVBICVAO-NSHDSACASA-N 2 2 250.346 0.421 20 0 CCADLP CCCC[C@@H]([NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC001149129506 812029355 /nfs/dbraw/zinc/02/93/55/812029355.db2.gz FBBQYSCULBPCFX-LLVKDONJSA-N 2 2 295.387 0.011 20 0 CCADLP CC(C)[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H](O)C1 ZINC001083580125 815499710 /nfs/dbraw/zinc/49/97/10/815499710.db2.gz RNGMDWTYOICMTB-YUTCNCBUSA-N 2 2 292.383 0.015 20 0 CCADLP CC(C)[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H](O)C1 ZINC001083580125 815499712 /nfs/dbraw/zinc/49/97/12/815499712.db2.gz RNGMDWTYOICMTB-YUTCNCBUSA-N 2 2 292.383 0.015 20 0 CCADLP CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H](O)C1 ZINC001083583308 815502810 /nfs/dbraw/zinc/50/28/10/815502810.db2.gz ASQRYJQLJMSQKT-BNOWGMLFSA-N 2 2 292.383 0.017 20 0 CCADLP CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H](O)C1 ZINC001083583308 815502814 /nfs/dbraw/zinc/50/28/14/815502814.db2.gz ASQRYJQLJMSQKT-BNOWGMLFSA-N 2 2 292.383 0.017 20 0 CCADLP CCN1CCC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1=O ZINC000722346157 812128383 /nfs/dbraw/zinc/12/83/83/812128383.db2.gz OHFMBOCLJMZZOU-STQMWFEESA-N 2 2 269.389 0.044 20 0 CCADLP CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)[C@@H](O)C1 ZINC001083584162 815504880 /nfs/dbraw/zinc/50/48/80/815504880.db2.gz JRAAWASYEHOATC-HONMWMINSA-N 2 2 292.383 0.004 20 0 CCADLP CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)[C@@H](O)C1 ZINC001083584162 815504882 /nfs/dbraw/zinc/50/48/82/815504882.db2.gz JRAAWASYEHOATC-HONMWMINSA-N 2 2 292.383 0.004 20 0 CCADLP CC[NH2+][C@H](CNC(=O)Cc1c[nH+]cn1C)C(C)C ZINC001268221415 812379191 /nfs/dbraw/zinc/37/91/91/812379191.db2.gz GJWQDJLFZISWJY-GFCCVEGCSA-N 2 2 252.362 0.713 20 0 CCADLP C[C@H](CC[NH2+]CC[C@@H]1CCOC1)NC(=O)Cn1cc[nH+]c1 ZINC001268428899 812563365 /nfs/dbraw/zinc/56/33/65/812563365.db2.gz AVVZKCRYRZJYRD-ZIAGYGMSSA-N 2 2 294.399 0.794 20 0 CCADLP COc1cccc(-c2noc([C@H]3C[NH2+]C[C@@H]3[NH3+])n2)c1 ZINC001211755462 812670723 /nfs/dbraw/zinc/67/07/23/812670723.db2.gz NZDUKINTNFKKNA-QWRGUYRKSA-N 2 2 260.297 0.759 20 0 CCADLP CC(C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075643751 812731765 /nfs/dbraw/zinc/73/17/65/812731765.db2.gz KAALQFYBOYQLAV-BFHYXJOUSA-N 2 2 281.400 0.258 20 0 CCADLP CC(C)[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075643751 812731770 /nfs/dbraw/zinc/73/17/70/812731770.db2.gz KAALQFYBOYQLAV-BFHYXJOUSA-N 2 2 281.400 0.258 20 0 CCADLP CC(C)[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001075643751 812731777 /nfs/dbraw/zinc/73/17/77/812731777.db2.gz KAALQFYBOYQLAV-BFHYXJOUSA-N 2 2 281.400 0.258 20 0 CCADLP CC(C)[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001075643751 812731783 /nfs/dbraw/zinc/73/17/83/812731783.db2.gz KAALQFYBOYQLAV-BFHYXJOUSA-N 2 2 281.400 0.258 20 0 CCADLP COC[C@H](C)[NH2+]C/C=C\CNC(=O)Cn1cc[nH+]c1 ZINC001268632293 812955161 /nfs/dbraw/zinc/95/51/61/812955161.db2.gz GEPLKOHACPXPAV-MVZIDQBPSA-N 2 2 266.345 0.180 20 0 CCADLP C[C@@H](C[NH2+]CCC(F)(F)F)NC(=O)Cc1[nH]cc[nH+]1 ZINC001268707526 813025931 /nfs/dbraw/zinc/02/59/31/813025931.db2.gz FCFWSAZVYBJDCR-QMMMGPOBSA-N 2 2 278.278 0.999 20 0 CCADLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H](C)COC ZINC001269476813 813384223 /nfs/dbraw/zinc/38/42/23/813384223.db2.gz HRFGGECUKGTBGG-WDEREUQCSA-N 2 2 268.361 0.472 20 0 CCADLP C[NH+]1CC2(C1)CCN(C(=O)CCc1c[nH]c[nH+]1)CC2 ZINC001269740069 813487028 /nfs/dbraw/zinc/48/70/28/813487028.db2.gz GCCUNCIPWFQWEM-UHFFFAOYSA-N 2 2 262.357 0.897 20 0 CCADLP C[NH+]1CC2(C1)CCN(C(=O)CCc1c[nH+]c[nH]1)CC2 ZINC001269740069 813487037 /nfs/dbraw/zinc/48/70/37/813487037.db2.gz GCCUNCIPWFQWEM-UHFFFAOYSA-N 2 2 262.357 0.897 20 0 CCADLP CC[C@@H](C(=O)N(C)C1C[NH+](CCCF)C1)[NH+](C)C ZINC001269876772 813542230 /nfs/dbraw/zinc/54/22/30/813542230.db2.gz YNZKCSXZIPGLEQ-LBPRGKRZSA-N 2 2 259.369 0.829 20 0 CCADLP CC[C@@H](F)C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126437299 813585787 /nfs/dbraw/zinc/58/57/87/813585787.db2.gz YGYCYLSYPUFFAG-SNVBAGLBSA-N 2 2 256.325 0.796 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]CC1CCC1 ZINC001126441714 813597386 /nfs/dbraw/zinc/59/73/86/813597386.db2.gz BKZLGGKADKBJBZ-UHFFFAOYSA-N 2 2 250.346 0.848 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]Cc1cncs1 ZINC001126442817 813599448 /nfs/dbraw/zinc/59/94/48/813599448.db2.gz UREHUSOEIXNQLO-UHFFFAOYSA-N 2 2 279.369 0.705 20 0 CCADLP CCOCC[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126448734 813641169 /nfs/dbraw/zinc/64/11/69/813641169.db2.gz XQXQGBOEBVUYMR-UHFFFAOYSA-N 2 2 254.334 0.085 20 0 CCADLP C[C@@H](O)C[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001167977281 813881312 /nfs/dbraw/zinc/88/13/12/813881312.db2.gz HRCXTVJZNCVVDS-WDEREUQCSA-N 2 2 268.361 0.065 20 0 CCADLP C[C@@H](O)C[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001167977281 813881320 /nfs/dbraw/zinc/88/13/20/813881320.db2.gz HRCXTVJZNCVVDS-WDEREUQCSA-N 2 2 268.361 0.065 20 0 CCADLP COCCC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCCC1 ZINC001270826748 813957380 /nfs/dbraw/zinc/95/73/80/813957380.db2.gz WOJYRONXNASZLO-UHFFFAOYSA-N 2 2 294.399 0.938 20 0 CCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCF)CC[N@@H+]1C ZINC001029313612 814067317 /nfs/dbraw/zinc/06/73/17/814067317.db2.gz HYKIAMOSUIGJOC-YIYPIFLZSA-N 2 2 283.391 0.971 20 0 CCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCF)CC[N@H+]1C ZINC001029313612 814067319 /nfs/dbraw/zinc/06/73/19/814067319.db2.gz HYKIAMOSUIGJOC-YIYPIFLZSA-N 2 2 283.391 0.971 20 0 CCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCF)CC[NH+]1C ZINC001029313612 814067326 /nfs/dbraw/zinc/06/73/26/814067326.db2.gz HYKIAMOSUIGJOC-YIYPIFLZSA-N 2 2 283.391 0.971 20 0 CCADLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCF)CC[NH+]1C ZINC001029313612 814067332 /nfs/dbraw/zinc/06/73/32/814067332.db2.gz HYKIAMOSUIGJOC-YIYPIFLZSA-N 2 2 283.391 0.971 20 0 CCADLP CC/C=C/CC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001271263742 814357129 /nfs/dbraw/zinc/35/71/29/814357129.db2.gz ZTUPFESKYTVFDD-ISZGNANSSA-N 2 2 295.427 0.600 20 0 CCADLP CC/C=C/CC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001271263742 814357141 /nfs/dbraw/zinc/35/71/41/814357141.db2.gz ZTUPFESKYTVFDD-ISZGNANSSA-N 2 2 295.427 0.600 20 0 CCADLP CC(C)[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]C[C@@H](C)O ZINC001271902111 814625255 /nfs/dbraw/zinc/62/52/55/814625255.db2.gz PSIBLDNPMGOOGZ-PWSUYJOCSA-N 2 2 268.361 0.063 20 0 CCADLP C[NH2+]C[C@@H]1CCCC[N@@H+]1C[C@H](O)COCCOC ZINC000300263445 814906673 /nfs/dbraw/zinc/90/66/73/814906673.db2.gz VBUXPWBFQSODPZ-STQMWFEESA-N 2 2 260.378 0.084 20 0 CCADLP C[NH2+]C[C@@H]1CCCC[N@H+]1C[C@H](O)COCCOC ZINC000300263445 814906680 /nfs/dbraw/zinc/90/66/80/814906680.db2.gz VBUXPWBFQSODPZ-STQMWFEESA-N 2 2 260.378 0.084 20 0 CCADLP CC[C@@H](F)C[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001083645217 815593489 /nfs/dbraw/zinc/59/34/89/815593489.db2.gz QFHFNEPAROWEOJ-UPJWGTAASA-N 2 2 298.362 0.101 20 0 CCADLP CC[C@@H](F)C[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001083645217 815593494 /nfs/dbraw/zinc/59/34/94/815593494.db2.gz QFHFNEPAROWEOJ-UPJWGTAASA-N 2 2 298.362 0.101 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1csnn1 ZINC001127066764 815625478 /nfs/dbraw/zinc/62/54/78/815625478.db2.gz SCTYLGXWSUFPID-GFCCVEGCSA-N 2 2 297.428 0.617 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1csnn1 ZINC001127066764 815625483 /nfs/dbraw/zinc/62/54/83/815625483.db2.gz SCTYLGXWSUFPID-GFCCVEGCSA-N 2 2 297.428 0.617 20 0 CCADLP CCC[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001030438538 816039847 /nfs/dbraw/zinc/03/98/47/816039847.db2.gz FEKPOFWXNXNIMV-HNNXBMFYSA-N 2 2 295.427 0.840 20 0 CCADLP CCC[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001030438538 816039854 /nfs/dbraw/zinc/03/98/54/816039854.db2.gz FEKPOFWXNXNIMV-HNNXBMFYSA-N 2 2 295.427 0.840 20 0 CCADLP O=C(NC1C[NH+](CC2CC2)C1)[C@H]1CCCc2[nH+]ccn21 ZINC001030443993 816040799 /nfs/dbraw/zinc/04/07/99/816040799.db2.gz BETQAZKHNICGFP-CYBMUJFWSA-N 2 2 274.368 0.971 20 0 CCADLP CCCC[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001030516333 816080832 /nfs/dbraw/zinc/08/08/32/816080832.db2.gz DLNWEWLHRBUGNO-DGCLKSJQSA-N 2 2 269.389 0.306 20 0 CCADLP CCCC[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001030516333 816080839 /nfs/dbraw/zinc/08/08/39/816080839.db2.gz DLNWEWLHRBUGNO-DGCLKSJQSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](CCF)[C@@H]2C)C1 ZINC001088859435 816088815 /nfs/dbraw/zinc/08/88/15/816088815.db2.gz BRROVCDGXPFYAK-UPJWGTAASA-N 2 2 271.380 0.877 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](CCF)[C@@H]2C)C1 ZINC001088859435 816088819 /nfs/dbraw/zinc/08/88/19/816088819.db2.gz BRROVCDGXPFYAK-UPJWGTAASA-N 2 2 271.380 0.877 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CCF)[C@@H]2C)C1 ZINC001088859435 816088822 /nfs/dbraw/zinc/08/88/22/816088822.db2.gz BRROVCDGXPFYAK-UPJWGTAASA-N 2 2 271.380 0.877 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CCF)[C@@H]2C)C1 ZINC001088859435 816088826 /nfs/dbraw/zinc/08/88/26/816088826.db2.gz BRROVCDGXPFYAK-UPJWGTAASA-N 2 2 271.380 0.877 20 0 CCADLP C[C@H](O)C[NH+]1CC(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001030618987 816153025 /nfs/dbraw/zinc/15/30/25/816153025.db2.gz YXZFCAXSBXVGGV-JTQLQIEISA-N 2 2 274.324 0.129 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCCC[NH2+]C1CC1 ZINC001120626115 816164648 /nfs/dbraw/zinc/16/46/48/816164648.db2.gz NGRMUXZGNWNNLA-ZDUSSCGKSA-N 2 2 298.431 0.539 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001030741519 816259523 /nfs/dbraw/zinc/25/95/23/816259523.db2.gz DSVAEMKBAFDTMH-DOMZBBRYSA-N 2 2 295.427 0.696 20 0 CCADLP CCC[N@@H+]1CCC[C@H](C(=O)NC2C[NH+]([C@@H](C)COC)C2)C1 ZINC001030826431 816321078 /nfs/dbraw/zinc/32/10/78/816321078.db2.gz ZELKJGLXGPDZJI-KBPBESRZSA-N 2 2 297.443 0.944 20 0 CCADLP CCC[N@H+]1CCC[C@H](C(=O)NC2C[NH+]([C@@H](C)COC)C2)C1 ZINC001030826431 816321087 /nfs/dbraw/zinc/32/10/87/816321087.db2.gz ZELKJGLXGPDZJI-KBPBESRZSA-N 2 2 297.443 0.944 20 0 CCADLP O=C(NCC[NH2+]Cc1cnon1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127255652 816466720 /nfs/dbraw/zinc/46/67/20/816466720.db2.gz KNBAZSSMIGOZIQ-AAEUAGOBSA-N 2 2 293.371 0.150 20 0 CCADLP O=C(NCC[NH2+]Cc1cnon1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127255652 816466727 /nfs/dbraw/zinc/46/67/27/816466727.db2.gz KNBAZSSMIGOZIQ-AAEUAGOBSA-N 2 2 293.371 0.150 20 0 CCADLP O=C1COCC2(C[NH+](CC3CC3)C2)N1CCn1cc[nH+]c1 ZINC001272486828 816484216 /nfs/dbraw/zinc/48/42/16/816484216.db2.gz WMVJTFMGCAOAQI-UHFFFAOYSA-N 2 2 290.367 0.206 20 0 CCADLP CC[C@H](C[NH+]1CC(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1)OC ZINC001030961975 816508063 /nfs/dbraw/zinc/50/80/63/816508063.db2.gz HXSXZIXGIIDPLQ-GXTWGEPZSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@H](C[NH+]1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1)OC ZINC001030961975 816508067 /nfs/dbraw/zinc/50/80/67/816508067.db2.gz HXSXZIXGIIDPLQ-GXTWGEPZSA-N 2 2 283.416 0.554 20 0 CCADLP COCC[NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001272573926 816603533 /nfs/dbraw/zinc/60/35/33/816603533.db2.gz NFHFNZDUXAANCW-LBPRGKRZSA-N 2 2 280.372 0.427 20 0 CCADLP c1ccc(OCC[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235052827 816797387 /nfs/dbraw/zinc/79/73/87/816797387.db2.gz PLZRJCKPGCLNGC-OAHLLOKOSA-N 2 2 261.369 0.703 20 0 CCADLP c1ccc(OCC[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235052827 816797388 /nfs/dbraw/zinc/79/73/88/816797388.db2.gz PLZRJCKPGCLNGC-OAHLLOKOSA-N 2 2 261.369 0.703 20 0 CCADLP CCOC(=O)c1n[nH]cc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205136122 816797686 /nfs/dbraw/zinc/79/76/86/816797686.db2.gz PIUTZPBHWGWARZ-VHSXEESVSA-N 2 2 266.345 0.613 20 0 CCADLP CCOC(=O)c1n[nH]cc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205136122 816797690 /nfs/dbraw/zinc/79/76/90/816797690.db2.gz PIUTZPBHWGWARZ-VHSXEESVSA-N 2 2 266.345 0.613 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106705170 816859261 /nfs/dbraw/zinc/85/92/61/816859261.db2.gz UWEUFJABFCRYBC-JHJVBQTASA-N 2 2 294.399 0.671 20 0 CCADLP CC[C@H](C)C[NH+]1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001031258681 816911010 /nfs/dbraw/zinc/91/10/10/816911010.db2.gz QIKIWKWZGLXBGV-NSHDSACASA-N 2 2 264.373 0.809 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CCF ZINC001106799731 816919682 /nfs/dbraw/zinc/91/96/82/816919682.db2.gz NYQHNGIAFJPVEI-GHMZBOCLSA-N 2 2 268.336 0.606 20 0 CCADLP COc1ccc(OC)c([C@H](O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000916742069 816988335 /nfs/dbraw/zinc/98/83/35/816988335.db2.gz RANFLVMWEQBKGZ-SLEUVZQESA-N 2 2 292.379 0.888 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)NC2C[NH+](C[C@@H]3CCCCO3)C2)C1 ZINC001031385117 817021014 /nfs/dbraw/zinc/02/10/14/817021014.db2.gz VDHPMKNMRHPMOA-OCCSQVGLSA-N 2 2 281.400 0.308 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)NC2C[NH+](C[C@@H]3CCCCO3)C2)C1 ZINC001031385117 817021018 /nfs/dbraw/zinc/02/10/18/817021018.db2.gz VDHPMKNMRHPMOA-OCCSQVGLSA-N 2 2 281.400 0.308 20 0 CCADLP CO[C@H](C[NH+]1CC(NC(=O)C[NH+]2CCCC2)C1)C1CCC1 ZINC001031390607 817025267 /nfs/dbraw/zinc/02/52/67/817025267.db2.gz QBXIYHWLHBYTPR-OAHLLOKOSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]1C[C@@H](C[NH+]2CC(NC(=O)Cn3cc[nH+]c3)C2)CCO1 ZINC001031476618 817072271 /nfs/dbraw/zinc/07/22/71/817072271.db2.gz YMCYPYHNJJLNPZ-OLZOCXBDSA-N 2 2 292.383 0.499 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccns2)C1 ZINC001031585338 817164688 /nfs/dbraw/zinc/16/46/88/817164688.db2.gz WGRJTJVYYMWCDB-ZDUSSCGKSA-N 2 2 294.424 0.785 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccns2)C1 ZINC001031585338 817164694 /nfs/dbraw/zinc/16/46/94/817164694.db2.gz WGRJTJVYYMWCDB-ZDUSSCGKSA-N 2 2 294.424 0.785 20 0 CCADLP Cc1ncoc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001031584361 817164735 /nfs/dbraw/zinc/16/47/35/817164735.db2.gz CBOCIFQYUIVXGI-ZDUSSCGKSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1ncoc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001031584361 817164741 /nfs/dbraw/zinc/16/47/41/817164741.db2.gz CBOCIFQYUIVXGI-ZDUSSCGKSA-N 2 2 292.383 0.625 20 0 CCADLP CC(C)[NH+]1CC(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001031783056 817363892 /nfs/dbraw/zinc/36/38/92/817363892.db2.gz SUCACJBKVCZDHU-ZDUSSCGKSA-N 2 2 276.384 0.902 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C)c1csnn1 ZINC001124877160 817610861 /nfs/dbraw/zinc/61/08/61/817610861.db2.gz CZETVDIHKOBEGW-ONGXEEELSA-N 2 2 283.401 0.399 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)co1 ZINC001124879580 817613339 /nfs/dbraw/zinc/61/33/39/817613339.db2.gz WNXYTAGFYYHUCC-LBPRGKRZSA-N 2 2 266.345 0.283 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)co1 ZINC001124879580 817613343 /nfs/dbraw/zinc/61/33/43/817613343.db2.gz WNXYTAGFYYHUCC-LBPRGKRZSA-N 2 2 266.345 0.283 20 0 CCADLP CC(C)[C@](C)(C[NH3+])[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC000447960589 817678091 /nfs/dbraw/zinc/67/80/91/817678091.db2.gz ALCQNHGNNOJCRL-ZFWWWQNUSA-N 2 2 283.416 0.729 20 0 CCADLP COC[C@@H](C)[NH2+]CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001127790708 817877085 /nfs/dbraw/zinc/87/70/85/817877085.db2.gz BKNCFCHDQLTMMM-GFCCVEGCSA-N 2 2 294.399 0.503 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H]1CCOC1 ZINC001032815020 818040656 /nfs/dbraw/zinc/04/06/56/818040656.db2.gz VFKISNLNNOWHDO-RDBSUJKOSA-N 2 2 290.367 0.205 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CCOC1 ZINC001032815020 818040663 /nfs/dbraw/zinc/04/06/63/818040663.db2.gz VFKISNLNNOWHDO-RDBSUJKOSA-N 2 2 290.367 0.205 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H]([NH2+]CCF)C12CCC2 ZINC001078782538 818052720 /nfs/dbraw/zinc/05/27/20/818052720.db2.gz BMQDWLXZTCPHHB-OLZOCXBDSA-N 2 2 294.374 0.949 20 0 CCADLP C[C@@H](CC[NH2+]CCO)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001273066191 818553453 /nfs/dbraw/zinc/55/34/53/818553453.db2.gz AJMVRHPACUBDNB-QWRGUYRKSA-N 2 2 268.361 0.065 20 0 CCADLP C[C@@H](CC[NH2+]CCO)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001273066191 818553461 /nfs/dbraw/zinc/55/34/61/818553461.db2.gz AJMVRHPACUBDNB-QWRGUYRKSA-N 2 2 268.361 0.065 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@]1(C)C[N@H+](C(C)C)CCO1 ZINC001108076282 818564418 /nfs/dbraw/zinc/56/44/18/818564418.db2.gz KELNHYKKJOEANW-OAHLLOKOSA-N 2 2 294.399 0.807 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@]1(C)C[N@@H+](C(C)C)CCO1 ZINC001108076282 818564424 /nfs/dbraw/zinc/56/44/24/818564424.db2.gz KELNHYKKJOEANW-OAHLLOKOSA-N 2 2 294.399 0.807 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccccc2CC[NH3+])CC1 ZINC001168740916 818609959 /nfs/dbraw/zinc/60/99/59/818609959.db2.gz RXAQIMWULMKJFQ-UHFFFAOYSA-N 3 2 261.373 0.782 20 0 CCADLP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](CCF)C1 ZINC001033199700 818639891 /nfs/dbraw/zinc/63/98/91/818639891.db2.gz WUUVQVXUHNMTPB-QWHCGFSZSA-N 2 2 271.380 0.973 20 0 CCADLP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](CCF)C1 ZINC001033199700 818639892 /nfs/dbraw/zinc/63/98/92/818639892.db2.gz WUUVQVXUHNMTPB-QWHCGFSZSA-N 2 2 271.380 0.973 20 0 CCADLP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](CCF)C1 ZINC001033199700 818639896 /nfs/dbraw/zinc/63/98/96/818639896.db2.gz WUUVQVXUHNMTPB-QWHCGFSZSA-N 2 2 271.380 0.973 20 0 CCADLP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](CCF)C1 ZINC001033199700 818639900 /nfs/dbraw/zinc/63/99/00/818639900.db2.gz WUUVQVXUHNMTPB-QWHCGFSZSA-N 2 2 271.380 0.973 20 0 CCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001033456753 818784342 /nfs/dbraw/zinc/78/43/42/818784342.db2.gz ZYILIVJBHUPNJP-GXTWGEPZSA-N 2 2 292.383 0.521 20 0 CCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001033456753 818784350 /nfs/dbraw/zinc/78/43/50/818784350.db2.gz ZYILIVJBHUPNJP-GXTWGEPZSA-N 2 2 292.383 0.521 20 0 CCADLP CC(C)[N@@H+]1CCO[C@@](C)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001108107537 818837496 /nfs/dbraw/zinc/83/74/96/818837496.db2.gz CHGISPNWWZJFNK-HNNXBMFYSA-N 2 2 294.399 0.889 20 0 CCADLP CC(C)[N@H+]1CCO[C@@](C)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001108107537 818837501 /nfs/dbraw/zinc/83/75/01/818837501.db2.gz CHGISPNWWZJFNK-HNNXBMFYSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001033592044 818841601 /nfs/dbraw/zinc/84/16/01/818841601.db2.gz XMHSCBLIYMPGGW-VXGBXAGGSA-N 2 2 294.399 0.601 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001033592044 818841604 /nfs/dbraw/zinc/84/16/04/818841604.db2.gz XMHSCBLIYMPGGW-VXGBXAGGSA-N 2 2 294.399 0.601 20 0 CCADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001033788624 818935984 /nfs/dbraw/zinc/93/59/84/818935984.db2.gz INYBTPOLBVBNFF-LSDHHAIUSA-N 2 2 295.427 0.650 20 0 CCADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001033788624 818935986 /nfs/dbraw/zinc/93/59/86/818935986.db2.gz INYBTPOLBVBNFF-LSDHHAIUSA-N 2 2 295.427 0.650 20 0 CCADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](CC2CC2)C1 ZINC001033788624 818935989 /nfs/dbraw/zinc/93/59/89/818935989.db2.gz INYBTPOLBVBNFF-LSDHHAIUSA-N 2 2 295.427 0.650 20 0 CCADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](CC2CC2)C1 ZINC001033788624 818935995 /nfs/dbraw/zinc/93/59/95/818935995.db2.gz INYBTPOLBVBNFF-LSDHHAIUSA-N 2 2 295.427 0.650 20 0 CCADLP C[S@@](=O)CC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702564306 819146291 /nfs/dbraw/zinc/14/62/91/819146291.db2.gz WDOOHDQDPCMGET-MGPUTAFESA-N 2 2 296.436 0.592 20 0 CCADLP C[S@@](=O)CC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702564306 819146296 /nfs/dbraw/zinc/14/62/96/819146296.db2.gz WDOOHDQDPCMGET-MGPUTAFESA-N 2 2 296.436 0.592 20 0 CCADLP CCO[C@@H](C[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC001128967280 819237232 /nfs/dbraw/zinc/23/72/32/819237232.db2.gz JHNXYAQUTBQEKJ-AWEZNQCLSA-N 2 2 294.399 0.863 20 0 CCADLP CCO[C@@H](C[NH2+]CCNC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC001128967280 819237236 /nfs/dbraw/zinc/23/72/36/819237236.db2.gz JHNXYAQUTBQEKJ-AWEZNQCLSA-N 2 2 294.399 0.863 20 0 CCADLP CC[C@@H](F)C[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128967559 819237285 /nfs/dbraw/zinc/23/72/85/819237285.db2.gz WFQNVIBQFZBRDR-SNVBAGLBSA-N 2 2 256.325 0.796 20 0 CCADLP CC[C@@H](F)C[NH2+]CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001128967559 819237289 /nfs/dbraw/zinc/23/72/89/819237289.db2.gz WFQNVIBQFZBRDR-SNVBAGLBSA-N 2 2 256.325 0.796 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+]C[C@H]1CCOC1 ZINC001128973390 819248426 /nfs/dbraw/zinc/24/84/26/819248426.db2.gz ZDMJGPYUGGGBRG-LLVKDONJSA-N 2 2 266.345 0.085 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC[NH2+]C[C@H]1CCOC1 ZINC001128973390 819248431 /nfs/dbraw/zinc/24/84/31/819248431.db2.gz ZDMJGPYUGGGBRG-LLVKDONJSA-N 2 2 266.345 0.085 20 0 CCADLP CC(C)[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001034895519 819359059 /nfs/dbraw/zinc/35/90/59/819359059.db2.gz WKRGOAOLMGBAKD-OLZOCXBDSA-N 2 2 269.389 0.306 20 0 CCADLP CC(C)[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001034895519 819359067 /nfs/dbraw/zinc/35/90/67/819359067.db2.gz WKRGOAOLMGBAKD-OLZOCXBDSA-N 2 2 269.389 0.306 20 0 CCADLP CC(C)[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001035102213 819391828 /nfs/dbraw/zinc/39/18/28/819391828.db2.gz LCCXXOVOBWBDEP-GFCCVEGCSA-N 2 2 264.373 0.952 20 0 CCADLP CC(C)=CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001035612624 819589612 /nfs/dbraw/zinc/58/96/12/819589612.db2.gz FHFFKUXMYAEJKP-HUUCEWRRSA-N 2 2 295.427 0.721 20 0 CCADLP CC(C)=CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001035612624 819589619 /nfs/dbraw/zinc/58/96/19/819589619.db2.gz FHFFKUXMYAEJKP-HUUCEWRRSA-N 2 2 295.427 0.721 20 0 CCADLP CC(C)=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001035612624 819589625 /nfs/dbraw/zinc/58/96/25/819589625.db2.gz FHFFKUXMYAEJKP-HUUCEWRRSA-N 2 2 295.427 0.721 20 0 CCADLP CC(C)=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001035612624 819589630 /nfs/dbraw/zinc/58/96/30/819589630.db2.gz FHFFKUXMYAEJKP-HUUCEWRRSA-N 2 2 295.427 0.721 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC2(C[NH+](CCCO)C2)CC1 ZINC001035860625 819637528 /nfs/dbraw/zinc/63/75/28/819637528.db2.gz AQHOSRZQGHMVMJ-UHFFFAOYSA-N 2 2 292.383 0.190 20 0 CCADLP [NH3+]C[C@@H]1CN(CC[NH+]2CCOCC2)C[C@H]1C(F)(F)F ZINC000709826812 819813341 /nfs/dbraw/zinc/81/33/41/819813341.db2.gz OMJYFLSGRPKTDX-GHMZBOCLSA-N 2 2 281.322 0.388 20 0 CCADLP C[NH+](C)CC1(O)CC[NH+](Cc2cnns2)CC1 ZINC000710672004 819863953 /nfs/dbraw/zinc/86/39/53/819863953.db2.gz NCCMJQRBDMMDEU-UHFFFAOYSA-N 2 2 256.375 0.427 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CF)C1 ZINC000711456104 820033401 /nfs/dbraw/zinc/03/34/01/820033401.db2.gz ZVUJAFHSLHOUIX-STQMWFEESA-N 2 2 262.369 0.607 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CF)C1 ZINC000711456104 820033409 /nfs/dbraw/zinc/03/34/09/820033409.db2.gz ZVUJAFHSLHOUIX-STQMWFEESA-N 2 2 262.369 0.607 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](CF)C1 ZINC000711456104 820033421 /nfs/dbraw/zinc/03/34/21/820033421.db2.gz ZVUJAFHSLHOUIX-STQMWFEESA-N 2 2 262.369 0.607 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](CF)C1 ZINC000711456104 820033430 /nfs/dbraw/zinc/03/34/30/820033430.db2.gz ZVUJAFHSLHOUIX-STQMWFEESA-N 2 2 262.369 0.607 20 0 CCADLP CC[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H](OC)C1 ZINC001082072745 820892923 /nfs/dbraw/zinc/89/29/23/820892923.db2.gz GTWZIDCQOOWORT-CHWSQXEVSA-N 2 2 295.383 0.790 20 0 CCADLP CC[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@H](OC)C1 ZINC001082072745 820892934 /nfs/dbraw/zinc/89/29/34/820892934.db2.gz GTWZIDCQOOWORT-CHWSQXEVSA-N 2 2 295.383 0.790 20 0 CCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]C[C@@H]1CCOC1 ZINC001082957696 821070399 /nfs/dbraw/zinc/07/03/99/821070399.db2.gz ZLEGWFIREAJVKM-HZSPNIEDSA-N 2 2 292.383 0.356 20 0 CCADLP CC[C@@H](C(=O)N1C[C@H]2CC[N@H+](CCF)C[C@H]21)[NH+](C)C ZINC001084667760 821340191 /nfs/dbraw/zinc/34/01/91/821340191.db2.gz WSSZRCJBFUFXHV-FRRDWIJNSA-N 2 2 271.380 0.829 20 0 CCADLP CC[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CCF)C[C@H]21)[NH+](C)C ZINC001084667760 821340200 /nfs/dbraw/zinc/34/02/00/821340200.db2.gz WSSZRCJBFUFXHV-FRRDWIJNSA-N 2 2 271.380 0.829 20 0 CCADLP CC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001084560760 821313103 /nfs/dbraw/zinc/31/31/03/821313103.db2.gz BBQNEQXYZLRWFB-CHWSQXEVSA-N 2 2 262.357 0.826 20 0 CCADLP CC[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001084560760 821313113 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CO[C@@H](C)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129891340 837576091 /nfs/dbraw/zinc/57/60/91/837576091.db2.gz IMQQFQFJMVXRTD-HBNTYKKESA-N 2 2 266.345 0.254 20 0 CCADLP CC(C)C[C@@H](C(=O)NCC[NH2+][C@H](C)C(N)=O)n1cc[nH+]c1 ZINC001130001838 837605374 /nfs/dbraw/zinc/60/53/74/837605374.db2.gz ZBHGTXLBXNGXIH-NEPJUHHUSA-N 2 2 295.387 0.050 20 0 CCADLP Cc1c[nH]c2ncnc(NC(=[NH2+])N3CC[NH+](C)CC3)c12 ZINC001157910523 837680050 /nfs/dbraw/zinc/68/00/50/837680050.db2.gz IZVYLZJRRVEQDQ-UHFFFAOYSA-N 2 2 273.344 0.860 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ncc(C3CC3)cn2)CC1 ZINC001157914658 837693440 /nfs/dbraw/zinc/69/34/40/837693440.db2.gz DQOFPXYEKNKADY-UHFFFAOYSA-N 2 2 260.345 0.948 20 0 CCADLP C[C@H](O)C[NH2+]CCCC[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170483815 837736080 /nfs/dbraw/zinc/73/60/80/837736080.db2.gz PTUUOPDKLDWXRE-STQMWFEESA-N 2 2 296.415 0.988 20 0 CCADLP COCCC[NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001130266097 837746449 /nfs/dbraw/zinc/74/64/49/837746449.db2.gz LCPHUDXWRZXLNO-UHFFFAOYSA-N 2 2 276.340 0.919 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C)c1ncccn1 ZINC001130300840 837759078 /nfs/dbraw/zinc/75/90/78/837759078.db2.gz WCFJQXVKRNTPOQ-QWHCGFSZSA-N 2 2 291.399 0.728 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C)c1ncccn1 ZINC001130300840 837759085 /nfs/dbraw/zinc/75/90/85/837759085.db2.gz WCFJQXVKRNTPOQ-QWHCGFSZSA-N 2 2 291.399 0.728 20 0 CCADLP O=C(NCC[NH2+]CC1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001130404787 837785690 /nfs/dbraw/zinc/78/56/90/837785690.db2.gz PAQXNZABWLDFBZ-LBPRGKRZSA-N 2 2 262.357 0.561 20 0 CCADLP O=C(NCC[NH2+]C/C=C/Cl)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130407843 837786651 /nfs/dbraw/zinc/78/66/51/837786651.db2.gz YYXZFXBQSFWWKQ-JHSHHRBUSA-N 2 2 282.775 0.904 20 0 CCADLP COC[C@H](C)[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130484793 837807057 /nfs/dbraw/zinc/80/70/57/837807057.db2.gz VYEMRJLJEUNEIN-RYUDHWBXSA-N 2 2 280.372 0.186 20 0 CCADLP C[C@@]1(CNC(=O)Cn2cc[nH+]c2)C[N@H+](CCCF)CCO1 ZINC001108436407 836114161 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GEKZWGCFWSNGGH-UHFFFAOYSA-N 2 2 294.399 0.498 20 0 CCADLP CCOCCC[NH+]1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001113634839 837181809 /nfs/dbraw/zinc/18/18/09/837181809.db2.gz YKGSOHNTMWUTKM-UHFFFAOYSA-N 2 2 294.399 0.762 20 0 CCADLP C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C[NH2+]CCO ZINC001184532528 844252493 /nfs/dbraw/zinc/25/24/93/844252493.db2.gz AMGNBUJSOGJHEX-STQMWFEESA-N 2 2 294.399 0.409 20 0 CCADLP C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C[NH2+]CCO ZINC001184532528 844252501 /nfs/dbraw/zinc/25/25/01/844252501.db2.gz AMGNBUJSOGJHEX-STQMWFEESA-N 2 2 294.399 0.409 20 0 CCADLP CCCNc1cc[nH+]c(NCCN(C)CC[NH3+])n1 ZINC001170501288 837849873 /nfs/dbraw/zinc/84/98/73/837849873.db2.gz YCTQGQNWMWHOEZ-UHFFFAOYSA-N 2 2 252.366 0.601 20 0 CCADLP O=C(NCC[NH2+]Cc1ncccn1)c1ccc2c[nH+]cn2c1 ZINC001131370527 838067736 /nfs/dbraw/zinc/06/77/36/838067736.db2.gz NFTOKQGWUOROFP-UHFFFAOYSA-N 2 2 296.334 0.644 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+][C@@H](C)c1csnn1 ZINC001131380740 838077016 /nfs/dbraw/zinc/07/70/16/838077016.db2.gz YZKJWSCTSDNMIL-JTQLQIEISA-N 2 2 294.384 0.510 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]C[C@H]1CCCOC1 ZINC001131639203 838164158 /nfs/dbraw/zinc/16/41/58/838164158.db2.gz BRBUJXFDRMITFR-CYBMUJFWSA-N 2 2 294.399 0.485 20 0 CCADLP C[C@H]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@H+]1CCO ZINC001132028822 838306707 /nfs/dbraw/zinc/30/67/07/838306707.db2.gz BYVYHWKMUURHRZ-NWDGAFQWSA-N 2 2 280.372 0.304 20 0 CCADLP Cc1csc(C[NH2+]CCNC(=O)CCn2cc[nH+]c2)n1 ZINC001132079892 838313147 /nfs/dbraw/zinc/31/31/47/838313147.db2.gz RJIFAPCYKMHPJU-UHFFFAOYSA-N 2 2 293.396 0.944 20 0 CCADLP C[C@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[N@@H+]1CCCO ZINC001132221263 838340845 /nfs/dbraw/zinc/34/08/45/838340845.db2.gz DXNBROFTJCHYTD-UONOGXRCSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[N@H+]1CCCO ZINC001132221263 838340850 /nfs/dbraw/zinc/34/08/50/838340850.db2.gz DXNBROFTJCHYTD-UONOGXRCSA-N 2 2 294.399 0.625 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C)o1 ZINC001133415788 838622285 /nfs/dbraw/zinc/62/22/85/838622285.db2.gz OHMHAASPQXUCSN-CYBMUJFWSA-N 2 2 297.403 0.424 20 0 CCADLP CC(C)[C@H](C(=O)NCC[NH2+][C@@H](C)c1ncccn1)[NH+](C)C ZINC001133434506 838634974 /nfs/dbraw/zinc/63/49/74/838634974.db2.gz VBBOMXCBVBJEAS-QWHCGFSZSA-N 2 2 293.415 0.830 20 0 CCADLP CC1(C)CC[N@@H+](CC(=O)NCC[NH2+]Cc2csnn2)C1 ZINC001133893553 838767335 /nfs/dbraw/zinc/76/73/35/838767335.db2.gz KJABCLPIWGLOKW-UHFFFAOYSA-N 2 2 297.428 0.476 20 0 CCADLP CC1(C)CC[N@H+](CC(=O)NCC[NH2+]Cc2csnn2)C1 ZINC001133893553 838767331 /nfs/dbraw/zinc/76/73/31/838767331.db2.gz KJABCLPIWGLOKW-UHFFFAOYSA-N 2 2 297.428 0.476 20 0 CCADLP CCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134045481 838841341 /nfs/dbraw/zinc/84/13/41/838841341.db2.gz IEIAJAZFFAGTSA-GHMZBOCLSA-N 2 2 250.346 0.639 20 0 CCADLP C[C@H](C[C@H](C)[NH2+]CCCO)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134229819 838913668 /nfs/dbraw/zinc/91/36/68/838913668.db2.gz UOYOSLONIVBTQR-NWDGAFQWSA-N 2 2 282.388 0.598 20 0 CCADLP C[NH+](C)CCCC(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001185249036 844379583 /nfs/dbraw/zinc/37/95/83/844379583.db2.gz LTSOAMUFTWKVKD-LLVKDONJSA-N 2 2 297.428 0.570 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CC1CCCC1 ZINC001134392918 838965545 /nfs/dbraw/zinc/96/55/45/838965545.db2.gz BNDNVBNIELODQW-UHFFFAOYSA-N 2 2 250.346 0.848 20 0 CCADLP C[NH+](C)CCCC(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC001185264940 844390463 /nfs/dbraw/zinc/39/04/63/844390463.db2.gz JJVLHNRCTJQQCB-LLVKDONJSA-N 2 2 281.360 0.102 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1C[NH2+]CCO ZINC001185372490 844411734 /nfs/dbraw/zinc/41/17/34/844411734.db2.gz YCGZXMPNOPOQPR-VXGBXAGGSA-N 2 2 280.372 0.019 20 0 CCADLP O=C(CC[NH+]1CCOCC1)NCC[NH2+]Cc1cscn1 ZINC001135341394 839212158 /nfs/dbraw/zinc/21/21/58/839212158.db2.gz UVRHEGDYMVEABT-UHFFFAOYSA-N 2 2 298.412 0.071 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001135513113 839282547 /nfs/dbraw/zinc/28/25/47/839282547.db2.gz GXLOOBONKWDORC-JTQLQIEISA-N 2 2 283.376 0.487 20 0 CCADLP CC1CC[NH+](CC(=O)NCC[NH2+]Cc2cnon2)CC1 ZINC001135688586 839360691 /nfs/dbraw/zinc/36/06/91/839360691.db2.gz XCWKBTILQYOCCH-UHFFFAOYSA-N 2 2 281.360 0.007 20 0 CCADLP Cc1ncccc1C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135755950 839385051 /nfs/dbraw/zinc/38/50/51/839385051.db2.gz UUAYOEWPUSHNMA-UHFFFAOYSA-N 2 2 273.340 0.562 20 0 CCADLP CO[C@H](C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1)C1CCC1 ZINC001135757565 839392052 /nfs/dbraw/zinc/39/20/52/839392052.db2.gz FURHLCGWCQZOMU-GFCCVEGCSA-N 2 2 280.372 0.473 20 0 CCADLP CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135799884 839418826 /nfs/dbraw/zinc/41/88/26/839418826.db2.gz YZNHNQAPDAUQQS-NWDGAFQWSA-N 2 2 282.388 0.862 20 0 CCADLP CCOC(=O)c1c[nH+]c(N[C@]([NH3+])(CC)CO)cc1N(C)C ZINC001170857877 839439252 /nfs/dbraw/zinc/43/92/52/839439252.db2.gz IAJIBRZWFYJEBN-CQSZACIVSA-N 2 2 296.371 0.794 20 0 CCADLP CCOC(=O)c1c[nH+]c(N[C@H]([NH3+])CCC[NH3+])cc1N(C)C ZINC001170899828 839547233 /nfs/dbraw/zinc/54/72/33/839547233.db2.gz YAUFWLMJUQPGEW-LBPRGKRZSA-N 3 2 295.387 0.760 20 0 CCADLP [NH3+]CCC[C@H]([NH3+])Nc1cc(N2CCSCC2)[nH+]cn1 ZINC001159787627 839580488 /nfs/dbraw/zinc/58/04/88/839580488.db2.gz AGJIUQMUEMLVFF-SNVBAGLBSA-N 3 2 282.417 0.465 20 0 CCADLP C[C@H]1CC[C@H]([NH2+]CCCCN2CC[NH2+]CC2)C[NH2+]1 ZINC001246089099 839603352 /nfs/dbraw/zinc/60/33/52/839603352.db2.gz OPJLEMLZHOZDBZ-KBPBESRZSA-N 3 2 254.422 0.402 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC001246099973 839613080 /nfs/dbraw/zinc/61/30/80/839613080.db2.gz BQMFYTNJCUVCMX-JHJVBQTASA-N 2 2 269.389 0.211 20 0 CCADLP CC(C)CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001090680322 839730883 /nfs/dbraw/zinc/73/08/83/839730883.db2.gz UECUNBYLURAACY-STQMWFEESA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001090680322 839730891 /nfs/dbraw/zinc/73/08/91/839730891.db2.gz UECUNBYLURAACY-STQMWFEESA-N 2 2 294.399 0.550 20 0 CCADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)C[NH2+]1 ZINC001246251569 839740460 /nfs/dbraw/zinc/74/04/60/839740460.db2.gz XJKDUIJBEXTSEE-MGPQQGTHSA-N 3 2 267.417 0.875 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001185924838 844475941 /nfs/dbraw/zinc/47/59/41/844475941.db2.gz GBBHWKFOBGUQLQ-BRPGZNNISA-N 2 2 268.748 0.895 20 0 CCADLP CN(CC(=O)Nc1ccc(Cn2cc[nH+]c2)cc1)C(N)=[NH2+] ZINC001144136828 839950603 /nfs/dbraw/zinc/95/06/03/839950603.db2.gz LQXLHXZFQRAUHP-UHFFFAOYSA-N 2 2 286.339 0.695 20 0 CCADLP C[N@@H+]1CCC[C@@H]([NH+]2CCCC[C@@](O)(C[NH3+])C2)CC1 ZINC001246561627 840026065 /nfs/dbraw/zinc/02/60/65/840026065.db2.gz RIDYPNBGCUNUAZ-ZIAGYGMSSA-N 3 2 255.406 0.646 20 0 CCADLP C[N@H+]1CCC[C@@H]([NH+]2CCCC[C@@](O)(C[NH3+])C2)CC1 ZINC001246561627 840026073 /nfs/dbraw/zinc/02/60/73/840026073.db2.gz RIDYPNBGCUNUAZ-ZIAGYGMSSA-N 3 2 255.406 0.646 20 0 CCADLP C[NH+]1CCC[C@@H]([N@@H+]2CCCC[C@@](O)(C[NH3+])C2)CC1 ZINC001246561627 840026081 /nfs/dbraw/zinc/02/60/81/840026081.db2.gz RIDYPNBGCUNUAZ-ZIAGYGMSSA-N 3 2 255.406 0.646 20 0 CCADLP C[NH+]1CCC[C@@H]([N@H+]2CCCC[C@@](O)(C[NH3+])C2)CC1 ZINC001246561627 840026087 /nfs/dbraw/zinc/02/60/87/840026087.db2.gz RIDYPNBGCUNUAZ-ZIAGYGMSSA-N 3 2 255.406 0.646 20 0 CCADLP CC[NH2+]C1CC(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001091105943 840050962 /nfs/dbraw/zinc/05/09/62/840050962.db2.gz ADMQKVZQCLEEKE-CPCZMJQVSA-N 2 2 276.384 0.950 20 0 CCADLP O=C(NCC1CC([NH2+]CCO)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001091098495 840052880 /nfs/dbraw/zinc/05/28/80/840052880.db2.gz WBZXDQDNOXYNBC-UHFFFAOYSA-N 2 2 288.351 0.653 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CC(C)(C[NH3+])C2)CO1 ZINC001246599647 840162628 /nfs/dbraw/zinc/16/26/28/840162628.db2.gz PSOYZYYRPCRLDK-QWRGUYRKSA-N 2 2 256.346 0.378 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]Cc1ncccn1 ZINC001171239020 840181118 /nfs/dbraw/zinc/18/11/18/840181118.db2.gz XHXZSCSGQHTSNR-UHFFFAOYSA-N 2 2 288.355 0.049 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NCCC[NH2+]C[C@@H](C)O ZINC001160839905 840236268 /nfs/dbraw/zinc/23/62/68/840236268.db2.gz WVJDRLPBOJUXOE-LLVKDONJSA-N 2 2 281.356 0.109 20 0 CCADLP C[C@H](C[C@H](C)[NH2+]CCF)NC(=O)Cn1cc[nH+]c1 ZINC001146758201 840369966 /nfs/dbraw/zinc/36/99/66/840369966.db2.gz RTCBYXTWUAEACB-WDEREUQCSA-N 2 2 256.325 0.726 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CC[C@@H]1CCOC1 ZINC001149124065 840525423 /nfs/dbraw/zinc/52/54/23/840525423.db2.gz PZWGKRAASGRSMU-GFCCVEGCSA-N 2 2 280.372 0.393 20 0 CCADLP CO[C@H](C)C[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149124556 840604388 /nfs/dbraw/zinc/60/43/88/840604388.db2.gz UQJKUPCDGOUWPZ-SECBINFHSA-N 2 2 254.334 0.001 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)C[C@@H]2CC[N@H+](C)C2)o1 ZINC001147894168 840706790 /nfs/dbraw/zinc/70/67/90/840706790.db2.gz ZUXMSQIGRUFHCO-PWSUYJOCSA-N 2 2 295.387 0.487 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)o1 ZINC001147894168 840706799 /nfs/dbraw/zinc/70/67/99/840706799.db2.gz ZUXMSQIGRUFHCO-PWSUYJOCSA-N 2 2 295.387 0.487 20 0 CCADLP CCc1nocc1C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147871592 840708990 /nfs/dbraw/zinc/70/89/90/840708990.db2.gz CSPQZRCNRCOSOS-UHFFFAOYSA-N 2 2 291.355 0.419 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CCOCC1CC1 ZINC001147907663 840719048 /nfs/dbraw/zinc/71/90/48/840719048.db2.gz HNIUQRFBELGQRU-UHFFFAOYSA-N 2 2 280.372 0.095 20 0 CCADLP CC[C@@H](F)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186575800 844570193 /nfs/dbraw/zinc/57/01/93/844570193.db2.gz DBWQXFRTAKEZDR-GHMZBOCLSA-N 2 2 268.336 0.891 20 0 CCADLP C[C@@H](F)CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186576075 844570370 /nfs/dbraw/zinc/57/03/70/844570370.db2.gz KVSNOXUESFTXOK-GHMZBOCLSA-N 2 2 268.336 0.891 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)CCCC[NH+](C)C)o1 ZINC001148360247 840793050 /nfs/dbraw/zinc/79/30/50/840793050.db2.gz OTXJYQJFAFAFJO-UHFFFAOYSA-N 2 2 283.376 0.316 20 0 CCADLP CCOCC[N@@H+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001148486163 840821687 /nfs/dbraw/zinc/82/16/87/840821687.db2.gz YWDIXMGSHUQYNT-UHFFFAOYSA-N 2 2 292.383 0.523 20 0 CCADLP CCOCC[N@H+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001148486163 840821699 /nfs/dbraw/zinc/82/16/99/840821699.db2.gz YWDIXMGSHUQYNT-UHFFFAOYSA-N 2 2 292.383 0.523 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)CCO1 ZINC000715013077 841244537 /nfs/dbraw/zinc/24/45/37/841244537.db2.gz YDURBLOYIDDBQF-MGPQQGTHSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)CCO1 ZINC000715013077 841244546 /nfs/dbraw/zinc/24/45/46/841244546.db2.gz YDURBLOYIDDBQF-MGPQQGTHSA-N 2 2 281.400 0.308 20 0 CCADLP Cc1nc(NCCNC(=O)[C@H]2CCC[N@H+]2C)cc[nH+]1 ZINC001093531609 841315793 /nfs/dbraw/zinc/31/57/93/841315793.db2.gz LQLSBOOSQAKLDE-LLVKDONJSA-N 2 2 263.345 0.407 20 0 CCADLP Cc1nc(NCCNC(=O)[C@H]2CCC[N@@H+]2C)cc[nH+]1 ZINC001093531609 841315800 /nfs/dbraw/zinc/31/58/00/841315800.db2.gz LQLSBOOSQAKLDE-LLVKDONJSA-N 2 2 263.345 0.407 20 0 CCADLP Cc1nc(NCCNC(=O)C2CC[NH+](C)CC2)cc[nH+]1 ZINC001093701429 841441764 /nfs/dbraw/zinc/44/17/64/841441764.db2.gz UJSXIKDSJGZEMI-UHFFFAOYSA-N 2 2 277.372 0.655 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CC(=O)N(CC2CC2)C1 ZINC000716773257 841680108 /nfs/dbraw/zinc/68/01/08/841680108.db2.gz MVGXXVUSZITTTO-XBFCOCLRSA-N 2 2 281.400 0.354 20 0 CCADLP CCN1CC[C@@H]([NH2+]C2(CO)CC[NH+](C)CC2)CC1=O ZINC001172042811 841820025 /nfs/dbraw/zinc/82/00/25/841820025.db2.gz NWFLTIIVISMDRH-GFCCVEGCSA-N 2 2 269.389 0.044 20 0 CCADLP Cn1cc[nH+]c1CC[NH2+][C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172166693 841876685 /nfs/dbraw/zinc/87/66/85/841876685.db2.gz QTOMKGKJJVYHOB-NWDGAFQWSA-N 2 2 262.357 0.706 20 0 CCADLP COCCC[NH+]1CCC([NH2+]C2CN(C3COC3)C2)CC1 ZINC001172249797 841913464 /nfs/dbraw/zinc/91/34/64/841913464.db2.gz PIUJMPIUXNKUAH-UHFFFAOYSA-N 2 2 283.416 0.160 20 0 CCADLP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@H](C(=O)OC)C1 ZINC001172594081 841939594 /nfs/dbraw/zinc/93/95/94/841939594.db2.gz KIQXGVFJQBHZHJ-QJPTWQEYSA-N 2 2 286.372 0.588 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C[C@@H]1C(=O)OC ZINC001173566549 842102605 /nfs/dbraw/zinc/10/26/05/842102605.db2.gz MYJTWVXYWAWMNR-FVCCEPFGSA-N 2 2 298.383 0.411 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)C[C@@H]1C(=O)OC ZINC001173566549 842102610 /nfs/dbraw/zinc/10/26/10/842102610.db2.gz MYJTWVXYWAWMNR-FVCCEPFGSA-N 2 2 298.383 0.411 20 0 CCADLP COCC[NH2+]CCCNC(=O)CCc1c[nH+]cn1C ZINC001175003935 842223625 /nfs/dbraw/zinc/22/36/25/842223625.db2.gz XOYVPHDJHOZFFK-UHFFFAOYSA-N 2 2 268.361 0.095 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCCC[NH2+]Cc1ccon1 ZINC001175002028 842223721 /nfs/dbraw/zinc/22/37/21/842223721.db2.gz BGZJNEPOLDBIJF-UHFFFAOYSA-N 2 2 291.355 0.637 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO ZINC001110189663 842287547 /nfs/dbraw/zinc/28/75/47/842287547.db2.gz KDVBSGXXSLKKRY-RDBSUJKOSA-N 2 2 292.383 0.377 20 0 CCADLP 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CCADLP COc1ccc(F)c(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206469101 843642751 /nfs/dbraw/zinc/64/27/51/843642751.db2.gz OPLWAPJUAATWDY-GXFFZTMASA-N 2 2 254.305 0.586 20 0 CCADLP COc1cc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc2c1OCO2 ZINC001206512426 843809987 /nfs/dbraw/zinc/80/99/87/843809987.db2.gz ORKPIGBRKQBIPB-QWRGUYRKSA-N 2 2 280.324 0.175 20 0 CCADLP COc1cc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc2c1OCO2 ZINC001206512426 843810000 /nfs/dbraw/zinc/81/00/00/843810000.db2.gz ORKPIGBRKQBIPB-QWRGUYRKSA-N 2 2 280.324 0.175 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001183116795 843964312 /nfs/dbraw/zinc/96/43/12/843964312.db2.gz SJENRWNGZRTAPX-WCQYABFASA-N 2 2 280.372 0.568 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001183116795 843964315 /nfs/dbraw/zinc/96/43/15/843964315.db2.gz SJENRWNGZRTAPX-WCQYABFASA-N 2 2 280.372 0.568 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ncccn2)C1 ZINC001188146177 844836908 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VITHZYKCRRTBMF-OLZOCXBDSA-N 2 2 292.383 0.283 20 0 CCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C/C=C/Cl)C[C@H]1O ZINC001197493633 846928349 /nfs/dbraw/zinc/92/83/49/846928349.db2.gz VLNPJIIGKMELRD-WBIIUDBISA-N 2 2 289.807 0.242 20 0 CCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C/C=C/Cl)C[C@H]1O ZINC001197493633 846928353 /nfs/dbraw/zinc/92/83/53/846928353.db2.gz VLNPJIIGKMELRD-WBIIUDBISA-N 2 2 289.807 0.242 20 0 CCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O ZINC001197493633 846928363 /nfs/dbraw/zinc/92/83/63/846928363.db2.gz VLNPJIIGKMELRD-WBIIUDBISA-N 2 2 289.807 0.242 20 0 CCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O ZINC001197493633 846928372 /nfs/dbraw/zinc/92/83/72/846928372.db2.gz VLNPJIIGKMELRD-WBIIUDBISA-N 2 2 289.807 0.242 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001198368083 847096615 /nfs/dbraw/zinc/09/66/15/847096615.db2.gz MVPNJYKXTJOIJE-CQSZACIVSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@@H](O)C[N@H+]1CCCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001198368083 847096617 /nfs/dbraw/zinc/09/66/17/847096617.db2.gz MVPNJYKXTJOIJE-CQSZACIVSA-N 2 2 294.399 0.578 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC[C@@](O)(CF)CC2)O1 ZINC001205853434 847189095 /nfs/dbraw/zinc/18/90/95/847189095.db2.gz IPMQMQLGZVHHRR-AAEUAGOBSA-N 2 2 260.353 0.897 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC[C@@](O)(CF)CC2)O1 ZINC001205853434 847189101 /nfs/dbraw/zinc/18/91/01/847189101.db2.gz IPMQMQLGZVHHRR-AAEUAGOBSA-N 2 2 260.353 0.897 20 0 CCADLP CCCC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCCO1 ZINC001201726757 847806938 /nfs/dbraw/zinc/80/69/38/847806938.db2.gz NYFUKDUSLFFNGV-ZDUSSCGKSA-N 2 2 294.399 0.959 20 0 CCADLP CC(C)[C@@H](C[NH+](C)C)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865800935 848040680 /nfs/dbraw/zinc/04/06/80/848040680.db2.gz TZBDTQBAKYHAOB-VBROQKIQSA-N 2 2 283.416 0.577 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH+]1CCC(n2cnnc2)CC1 ZINC001253188244 848152794 /nfs/dbraw/zinc/15/27/94/848152794.db2.gz SZSGZJLUQDOEKC-AWEZNQCLSA-N 2 2 281.404 0.618 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)CC[NH2+]CC1CC1 ZINC000717190871 848169390 /nfs/dbraw/zinc/16/93/90/848169390.db2.gz LXBSVYPFPRIHNX-GFCCVEGCSA-N 2 2 269.389 0.213 20 0 CCADLP CC(=O)[C@H](C)[N@@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001273985907 848201903 /nfs/dbraw/zinc/20/19/03/848201903.db2.gz XEASEOCDRIMDOC-SWLSCSKDSA-N 2 2 281.400 0.592 20 0 CCADLP CC(=O)[C@H](C)[N@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001273985907 848201916 /nfs/dbraw/zinc/20/19/16/848201916.db2.gz XEASEOCDRIMDOC-SWLSCSKDSA-N 2 2 281.400 0.592 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]C[C@@H]2CCC=CO2)CC1 ZINC000379991527 848216188 /nfs/dbraw/zinc/21/61/88/848216188.db2.gz URJMZHVKFAAKOP-LBPRGKRZSA-N 2 2 253.346 0.043 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO ZINC001110877050 848420461 /nfs/dbraw/zinc/42/04/61/848420461.db2.gz AATUGUXHIUIHLB-MCIONIFRSA-N 2 2 292.383 0.377 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO ZINC001110877050 848420466 /nfs/dbraw/zinc/42/04/66/848420466.db2.gz AATUGUXHIUIHLB-MCIONIFRSA-N 2 2 292.383 0.377 20 0 CCADLP CCOCC[NH2+][C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001274241522 848426275 /nfs/dbraw/zinc/42/62/75/848426275.db2.gz PTFUVODHRSFKJA-KBPBESRZSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NC/C=C\C[NH2+]Cc2cnon2)C1 ZINC001274367706 848460428 /nfs/dbraw/zinc/46/04/28/848460428.db2.gz FDLMXECMTSMTLE-DLGQBQFBSA-N 2 2 293.371 0.173 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)NC/C=C\C[NH2+]Cc2cnon2)C1 ZINC001274367706 848460434 /nfs/dbraw/zinc/46/04/34/848460434.db2.gz FDLMXECMTSMTLE-DLGQBQFBSA-N 2 2 293.371 0.173 20 0 CCADLP C[C@H](C[NH2+]CCC[C@H]1CCOC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001274967526 848604044 /nfs/dbraw/zinc/60/40/44/848604044.db2.gz IHDLZUNLJFZMBS-OLZOCXBDSA-N 2 2 294.399 0.863 20 0 CCADLP CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C[C@@H](C1)O2 ZINC001275079477 848629334 /nfs/dbraw/zinc/62/93/34/848629334.db2.gz NKZGIWRCEARTTE-QLFBSQMISA-N 2 2 293.411 0.402 20 0 CCADLP CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC4CC[NH+]3CC4)C[C@@H](C1)O2 ZINC001275079477 848629339 /nfs/dbraw/zinc/62/93/39/848629339.db2.gz NKZGIWRCEARTTE-QLFBSQMISA-N 2 2 293.411 0.402 20 0 CCADLP COCC[NH2+][C@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001275580843 848766990 /nfs/dbraw/zinc/76/69/90/848766990.db2.gz SUIHVLLBYXWGTM-MNOVXSKESA-N 2 2 254.334 0.012 20 0 CCADLP Cc1c[nH]c(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)n1 ZINC001275688210 848792147 /nfs/dbraw/zinc/79/21/47/848792147.db2.gz NPRZQMHDLPBNIE-OKILXGFUSA-N 2 2 293.415 0.165 20 0 CCADLP Cc1c[nH]c(C[N@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)n1 ZINC001275688210 848792155 /nfs/dbraw/zinc/79/21/55/848792155.db2.gz NPRZQMHDLPBNIE-OKILXGFUSA-N 2 2 293.415 0.165 20 0 CCADLP C[N@@H+]1C[C@@H]2COC[C@H](C1)N2Cc1ccc2[nH+]ccn2c1 ZINC001275790099 848824150 /nfs/dbraw/zinc/82/41/50/848824150.db2.gz DJZDTESSBZLNLF-OKILXGFUSA-N 2 2 272.352 0.849 20 0 CCADLP C[N@H+]1C[C@@H]2COC[C@H](C1)N2Cc1ccc2[nH+]ccn2c1 ZINC001275790099 848824152 /nfs/dbraw/zinc/82/41/52/848824152.db2.gz DJZDTESSBZLNLF-OKILXGFUSA-N 2 2 272.352 0.849 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)CCCF ZINC001276010658 848889581 /nfs/dbraw/zinc/88/95/81/848889581.db2.gz IPUIJEGAOMOHHL-LLVKDONJSA-N 2 2 256.325 0.679 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)CCCF ZINC001276010658 848889588 /nfs/dbraw/zinc/88/95/88/848889588.db2.gz IPUIJEGAOMOHHL-LLVKDONJSA-N 2 2 256.325 0.679 20 0 CCADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cnc[nH]1 ZINC001276204148 848960602 /nfs/dbraw/zinc/96/06/02/848960602.db2.gz OIQXANPVOQWKRH-KBPBESRZSA-N 2 2 263.389 0.620 20 0 CCADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cnc[nH]1 ZINC001276204148 848960607 /nfs/dbraw/zinc/96/06/07/848960607.db2.gz OIQXANPVOQWKRH-KBPBESRZSA-N 2 2 263.389 0.620 20 0 CCADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1c[nH]cn1 ZINC001276204148 848960609 /nfs/dbraw/zinc/96/06/09/848960609.db2.gz OIQXANPVOQWKRH-KBPBESRZSA-N 2 2 263.389 0.620 20 0 CCADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1c[nH]cn1 ZINC001276204148 848960615 /nfs/dbraw/zinc/96/06/15/848960615.db2.gz OIQXANPVOQWKRH-KBPBESRZSA-N 2 2 263.389 0.620 20 0 CCADLP Cc1[nH+]c[nH]c1CN1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001276206699 848961476 /nfs/dbraw/zinc/96/14/76/848961476.db2.gz KTCPPAHPMKIMAV-OKILXGFUSA-N 2 2 293.415 0.165 20 0 CCADLP Cc1ncn(C)c1C[NH+]1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001276249163 848972532 /nfs/dbraw/zinc/97/25/32/848972532.db2.gz AXBQUWXUKMWUDA-UHFFFAOYSA-N 2 2 277.416 0.408 20 0 CCADLP C[N@H+](Cc1ccc(OCC(N)=O)cc1)CC(C)(C)[NH3+] ZINC000691954357 849041238 /nfs/dbraw/zinc/04/12/38/849041238.db2.gz RYYQBGJJBWGJTM-UHFFFAOYSA-N 2 2 265.357 0.720 20 0 CCADLP C[N@@H+](Cc1ccc(OCC(N)=O)cc1)CC(C)(C)[NH3+] ZINC000691954357 849041245 /nfs/dbraw/zinc/04/12/45/849041245.db2.gz RYYQBGJJBWGJTM-UHFFFAOYSA-N 2 2 265.357 0.720 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])NC2CCC3(COC3)CC2)CC1 ZINC001257899828 849101442 /nfs/dbraw/zinc/10/14/42/849101442.db2.gz ZGUUXVDJACXAAR-UHFFFAOYSA-N 2 2 266.389 0.717 20 0 CCADLP CCOC(=O)CCC[C@@H](C)[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC001258102857 849148532 /nfs/dbraw/zinc/14/85/32/849148532.db2.gz JLXJDLQYTNQHKF-VXGBXAGGSA-N 2 2 258.362 0.768 20 0 CCADLP CCOC(=O)CCC[C@@H](C)[N@H+]1CCO[C@H](C[NH3+])C1 ZINC001258102857 849148534 /nfs/dbraw/zinc/14/85/34/849148534.db2.gz JLXJDLQYTNQHKF-VXGBXAGGSA-N 2 2 258.362 0.768 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1[C@H]2C[N@H+](CCCF)C[C@H]21 ZINC001114606659 849308920 /nfs/dbraw/zinc/30/89/20/849308920.db2.gz HTPLTUJYNJWGCX-JYAVWHMHSA-N 2 2 294.374 0.759 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCF)C[C@H]21 ZINC001114606659 849308940 /nfs/dbraw/zinc/30/89/40/849308940.db2.gz HTPLTUJYNJWGCX-JYAVWHMHSA-N 2 2 294.374 0.759 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCO[C@H](C)CC1 ZINC000720424444 849456712 /nfs/dbraw/zinc/45/67/12/849456712.db2.gz IRCJHYWPSRAKMS-OLZOCXBDSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCO[C@H](C)CC1 ZINC000720424444 849456715 /nfs/dbraw/zinc/45/67/15/849456715.db2.gz IRCJHYWPSRAKMS-OLZOCXBDSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCO[C@H](C)CC1 ZINC000720424444 849456717 /nfs/dbraw/zinc/45/67/17/849456717.db2.gz IRCJHYWPSRAKMS-OLZOCXBDSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCO[C@H](C)CC1 ZINC000720424444 849456710 /nfs/dbraw/zinc/45/67/10/849456710.db2.gz IRCJHYWPSRAKMS-OLZOCXBDSA-N 2 2 260.378 0.036 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000720482254 849474002 /nfs/dbraw/zinc/47/40/02/849474002.db2.gz PRPKFLIKLMCZIQ-GBJTYRQASA-N 2 2 286.416 0.567 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000720482254 849474006 /nfs/dbraw/zinc/47/40/06/849474006.db2.gz PRPKFLIKLMCZIQ-GBJTYRQASA-N 2 2 286.416 0.567 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000720482254 849474010 /nfs/dbraw/zinc/47/40/10/849474010.db2.gz PRPKFLIKLMCZIQ-GBJTYRQASA-N 2 2 286.416 0.567 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000720482254 849474012 /nfs/dbraw/zinc/47/40/12/849474012.db2.gz PRPKFLIKLMCZIQ-GBJTYRQASA-N 2 2 286.416 0.567 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(C)(C)O)C1 ZINC000721885239 849926893 /nfs/dbraw/zinc/92/68/93/849926893.db2.gz FLHAELXIVFDLMW-STQMWFEESA-N 2 2 274.405 0.018 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(C)(C)O)C1 ZINC000721885239 849926907 /nfs/dbraw/zinc/92/69/07/849926907.db2.gz FLHAELXIVFDLMW-STQMWFEESA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C(C)(C)O)C1 ZINC000721885239 849926911 /nfs/dbraw/zinc/92/69/11/849926911.db2.gz FLHAELXIVFDLMW-STQMWFEESA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C(C)(C)O)C1 ZINC000721885239 849926919 /nfs/dbraw/zinc/92/69/19/849926919.db2.gz FLHAELXIVFDLMW-STQMWFEESA-N 2 2 274.405 0.018 20 0 CCADLP Cc1ncc(C[NH+]2CC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001039026093 850127399 /nfs/dbraw/zinc/12/73/99/850127399.db2.gz DIIUHFLGFUMICE-CHWSQXEVSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1ncc(C[NH+]2CC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001039026093 850127404 /nfs/dbraw/zinc/12/74/04/850127404.db2.gz DIIUHFLGFUMICE-CHWSQXEVSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1ncc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2CC[NH+](C)C2)o1 ZINC001039026093 850127411 /nfs/dbraw/zinc/12/74/11/850127411.db2.gz DIIUHFLGFUMICE-CHWSQXEVSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1ncc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2CC[NH+](C)C2)o1 ZINC001039026093 850127421 /nfs/dbraw/zinc/12/74/21/850127421.db2.gz DIIUHFLGFUMICE-CHWSQXEVSA-N 2 2 292.383 0.625 20 0 CCADLP CO[C@H](C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001042546042 850691027 /nfs/dbraw/zinc/69/10/27/850691027.db2.gz PEONKKAXHFFCOU-YPMHNXCESA-N 2 2 269.389 0.258 20 0 CCADLP CO[C@H](C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042546042 850691021 /nfs/dbraw/zinc/69/10/21/850691021.db2.gz PEONKKAXHFFCOU-YPMHNXCESA-N 2 2 269.389 0.258 20 0 CCADLP C[C@H](O)C[NH+]1CC(N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001043464866 850876069 /nfs/dbraw/zinc/87/60/69/850876069.db2.gz VWCPPZNJGFBELR-WFASDCNBSA-N 2 2 295.427 0.384 20 0 CCADLP C[C@H](C(=O)N(C)C1C[NH+](CCCO)C1)[NH+]1CCCCCC1 ZINC001044004795 850982746 /nfs/dbraw/zinc/98/27/46/850982746.db2.gz QKJBQIYXVNRULC-CQSZACIVSA-N 2 2 297.443 0.776 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001044295970 851067589 /nfs/dbraw/zinc/06/75/89/851067589.db2.gz QIIKVUGIIFGFAG-NSHDSACASA-N 2 2 280.372 0.369 20 0 CCADLP C[C@@H](F)CC[NH+]1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001044295113 851068547 /nfs/dbraw/zinc/06/85/47/851068547.db2.gz NDPQUXYJIGLDLS-GFCCVEGCSA-N 2 2 271.380 0.973 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCF)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001044750890 851152981 /nfs/dbraw/zinc/15/29/81/851152981.db2.gz PQAHDVLIFZJTGE-QWRGUYRKSA-N 2 2 268.336 0.891 20 0 CCADLP CC[NH2+]C[C@@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001045016058 851203217 /nfs/dbraw/zinc/20/32/17/851203217.db2.gz PNGWIBBUBHREEY-NSHDSACASA-N 2 2 250.346 0.943 20 0 CCADLP CC(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001047545337 851811554 /nfs/dbraw/zinc/81/15/54/851811554.db2.gz QUASTUWVMSSPHA-STQMWFEESA-N 2 2 280.372 0.112 20 0 CCADLP CC(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001047545337 851811560 /nfs/dbraw/zinc/81/15/60/851811560.db2.gz QUASTUWVMSSPHA-STQMWFEESA-N 2 2 280.372 0.112 20 0 CCADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1C[N@H+](CCC2CC2)C[C@@H]1O ZINC001047645924 851844220 /nfs/dbraw/zinc/84/42/20/851844220.db2.gz BURBOQGLOAVVMG-KBPBESRZSA-N 2 2 292.383 0.187 20 0 CCADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1C[N@@H+](CCC2CC2)C[C@@H]1O ZINC001047645924 851844226 /nfs/dbraw/zinc/84/42/26/851844226.db2.gz BURBOQGLOAVVMG-KBPBESRZSA-N 2 2 292.383 0.187 20 0 CCADLP NOCCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000902423351 851949219 /nfs/dbraw/zinc/94/92/19/851949219.db2.gz WCWDTEHGKYGKBF-UHFFFAOYSA-N 2 2 250.346 0.920 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@@H+](CCF)C[C@@H]2C1 ZINC001049174300 852185933 /nfs/dbraw/zinc/18/59/33/852185933.db2.gz OQWWWVOJTPNDSN-TXEJJXNPSA-N 2 2 280.347 0.322 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@H+](CCF)C[C@@H]2C1 ZINC001049174300 852185938 /nfs/dbraw/zinc/18/59/38/852185938.db2.gz OQWWWVOJTPNDSN-TXEJJXNPSA-N 2 2 280.347 0.322 20 0 CCADLP COC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001096656877 852419967 /nfs/dbraw/zinc/41/99/67/852419967.db2.gz TUBAWAVCZKLGHN-MQYQWHSLSA-N 2 2 292.383 0.640 20 0 CCADLP COC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001096656877 852419973 /nfs/dbraw/zinc/41/99/73/852419973.db2.gz TUBAWAVCZKLGHN-MQYQWHSLSA-N 2 2 292.383 0.640 20 0 CCADLP CC[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052751029 852651173 /nfs/dbraw/zinc/65/11/73/852651173.db2.gz QFLRYQOFXJNBOQ-LLVKDONJSA-N 2 2 250.346 0.943 20 0 CCADLP CC[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052751029 852651169 /nfs/dbraw/zinc/65/11/69/852651169.db2.gz QFLRYQOFXJNBOQ-LLVKDONJSA-N 2 2 250.346 0.943 20 0 CCADLP COC[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001052824642 852659028 /nfs/dbraw/zinc/65/90/28/852659028.db2.gz ZNZJGJRTWDDTJZ-OLZOCXBDSA-N 2 2 294.399 0.958 20 0 CCADLP COC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001052824642 852659031 /nfs/dbraw/zinc/65/90/31/852659031.db2.gz ZNZJGJRTWDDTJZ-OLZOCXBDSA-N 2 2 294.399 0.958 20 0 CCADLP CC(C)[NH+]1CC2(C1)CN(C(=O)C1([NH+](C)C)CCC1)CCO2 ZINC001053287477 852724270 /nfs/dbraw/zinc/72/42/70/852724270.db2.gz ZYSNQMXFXACPLM-UHFFFAOYSA-N 2 2 295.427 0.792 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)C13CCC[NH+]1CCC3)CCO2 ZINC001053327328 852729298 /nfs/dbraw/zinc/72/92/98/852729298.db2.gz ASCWDWMSJCJVRL-UHFFFAOYSA-N 2 2 293.411 0.548 20 0 CCADLP CC(C)[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)CCO2 ZINC001053429977 852743610 /nfs/dbraw/zinc/74/36/10/852743610.db2.gz FMYBPEXCISCHNA-ZIAGYGMSSA-N 2 2 295.427 0.506 20 0 CCADLP CC(C)[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)CCO2 ZINC001053429977 852743612 /nfs/dbraw/zinc/74/36/12/852743612.db2.gz FMYBPEXCISCHNA-ZIAGYGMSSA-N 2 2 295.427 0.506 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)C13CC[NH+](CC1)C3)CCO2 ZINC001053510504 852751860 /nfs/dbraw/zinc/75/18/60/852751860.db2.gz MREFCEHTYGCJGY-UHFFFAOYSA-N 2 2 279.384 0.015 20 0 CCADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)CO2 ZINC001053756506 852805934 /nfs/dbraw/zinc/80/59/34/852805934.db2.gz YGIWESGAKDXTHH-VXGBXAGGSA-N 2 2 267.373 0.060 20 0 CCADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)CO2 ZINC001053756506 852805940 /nfs/dbraw/zinc/80/59/40/852805940.db2.gz YGIWESGAKDXTHH-VXGBXAGGSA-N 2 2 267.373 0.060 20 0 CCADLP CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)CO2 ZINC001053756305 852806830 /nfs/dbraw/zinc/80/68/30/852806830.db2.gz TVFPPYGBDWXTKH-OLZOCXBDSA-N 2 2 281.400 0.450 20 0 CCADLP CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)CO2 ZINC001053756305 852806837 /nfs/dbraw/zinc/80/68/37/852806837.db2.gz TVFPPYGBDWXTKH-OLZOCXBDSA-N 2 2 281.400 0.450 20 0 CCADLP O=C(C[NH+]1CCCC1)N[C@H]1COC2(C[NH+](CCCF)C2)C1 ZINC001054010625 852868572 /nfs/dbraw/zinc/86/85/72/852868572.db2.gz VTASJKJYAWPENE-CYBMUJFWSA-N 2 2 299.390 0.401 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001054248486 852897719 /nfs/dbraw/zinc/89/77/19/852897719.db2.gz VFBGFUQEFRVVQE-OAHLLOKOSA-N 2 2 292.383 0.190 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001054248486 852897724 /nfs/dbraw/zinc/89/77/24/852897724.db2.gz VFBGFUQEFRVVQE-OAHLLOKOSA-N 2 2 292.383 0.190 20 0 CCADLP CN1CC[C@@H]([NH2+][C@H]2CC3CC[NH+](CC3)C2)CC1=O ZINC001254836658 852906934 /nfs/dbraw/zinc/90/69/34/852906934.db2.gz NRFGDSAXBQPSPR-OLZOCXBDSA-N 2 2 251.374 0.681 20 0 CCADLP CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001054716961 853001138 /nfs/dbraw/zinc/00/11/38/853001138.db2.gz AKHYHVAXHKJDCE-CMPLNLGQSA-N 2 2 250.346 0.799 20 0 CCADLP CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001054716961 853001130 /nfs/dbraw/zinc/00/11/30/853001130.db2.gz AKHYHVAXHKJDCE-CMPLNLGQSA-N 2 2 250.346 0.799 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001051098570 853524000 /nfs/dbraw/zinc/52/40/00/853524000.db2.gz NVHIPBDAURBKGR-CYBMUJFWSA-N 2 2 269.389 0.165 20 0 CCADLP CC[N@H+]1CCOC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001051098570 853524009 /nfs/dbraw/zinc/52/40/09/853524009.db2.gz NVHIPBDAURBKGR-CYBMUJFWSA-N 2 2 269.389 0.165 20 0 CCADLP CC(C)[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001051848568 853651027 /nfs/dbraw/zinc/65/10/27/853651027.db2.gz VHXIBJWYFVYIAQ-LBPRGKRZSA-N 2 2 266.345 0.178 20 0 CCADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(=O)N1CCOCC1 ZINC000387356482 853961816 /nfs/dbraw/zinc/96/18/16/853961816.db2.gz ZYYUBQIKWIJKGS-YHWZYXNKSA-N 2 2 267.373 0.189 20 0 CCADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=O)N1CCOCC1 ZINC000387356482 853961822 /nfs/dbraw/zinc/96/18/22/853961822.db2.gz ZYYUBQIKWIJKGS-YHWZYXNKSA-N 2 2 267.373 0.189 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001073049117 854521095 /nfs/dbraw/zinc/52/10/95/854521095.db2.gz WQTHVTWAIYUTKY-LBPRGKRZSA-N 2 2 292.383 0.115 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001073049117 854521099 /nfs/dbraw/zinc/52/10/99/854521099.db2.gz WQTHVTWAIYUTKY-LBPRGKRZSA-N 2 2 292.383 0.115 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001073049117 854521102 /nfs/dbraw/zinc/52/11/02/854521102.db2.gz WQTHVTWAIYUTKY-LBPRGKRZSA-N 2 2 292.383 0.115 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001073049117 854521108 /nfs/dbraw/zinc/52/11/08/854521108.db2.gz WQTHVTWAIYUTKY-LBPRGKRZSA-N 2 2 292.383 0.115 20 0 CCADLP CCC[N@@H+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001073078585 854525826 /nfs/dbraw/zinc/52/58/26/854525826.db2.gz QEIBCTCVINILDL-UHFFFAOYSA-N 2 2 262.357 0.897 20 0 CCADLP CCC[N@H+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001073078585 854525834 /nfs/dbraw/zinc/52/58/34/854525834.db2.gz QEIBCTCVINILDL-UHFFFAOYSA-N 2 2 262.357 0.897 20 0 CCADLP CC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001074408587 854727717 /nfs/dbraw/zinc/72/77/17/854727717.db2.gz YWJBINMPQCJBJX-ZIAGYGMSSA-N 2 2 292.383 0.513 20 0 CCADLP CC[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)C[C@H]21 ZINC001074408587 854727722 /nfs/dbraw/zinc/72/77/22/854727722.db2.gz YWJBINMPQCJBJX-ZIAGYGMSSA-N 2 2 292.383 0.513 20 0 CCADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](C)C(=O)N[C@@H](C)C(N)=O ZINC001255954094 855086546 /nfs/dbraw/zinc/08/65/46/855086546.db2.gz ABVOHEUIRAARLZ-WOPDTQHZSA-N 2 2 286.420 0.075 20 0 CCADLP CC(C)OCC[NH2+]C1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001100791494 855225340 /nfs/dbraw/zinc/22/53/40/855225340.db2.gz KZZNICCFOOOOKT-UHFFFAOYSA-N 2 2 294.399 0.862 20 0 CCADLP Cc1nc(NCCN(C)C(=O)C2CC[NH+](C)CC2)cc[nH+]1 ZINC001101672041 855340262 /nfs/dbraw/zinc/34/02/62/855340262.db2.gz SJNYQFFAZHKSBV-UHFFFAOYSA-N 2 2 291.399 0.997 20 0 CCADLP COCCC[N@H+]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102406581 855434370 /nfs/dbraw/zinc/43/43/70/855434370.db2.gz ZXIHXIRIYALFDF-CHWSQXEVSA-N 2 2 294.399 0.673 20 0 CCADLP COCCC[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102406581 855434375 /nfs/dbraw/zinc/43/43/75/855434375.db2.gz ZXIHXIRIYALFDF-CHWSQXEVSA-N 2 2 294.399 0.673 20 0 CCADLP C[C@@H](O)C[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001115749414 855694750 /nfs/dbraw/zinc/69/47/50/855694750.db2.gz ZYDAPYRRKCTBOS-GFCCVEGCSA-N 2 2 294.399 0.742 20 0 CCADLP C[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)n1cc[nH+]c1 ZINC001117996884 856132063 /nfs/dbraw/zinc/13/20/63/856132063.db2.gz HCFDNQOIZRPNAN-RYUDHWBXSA-N 2 2 250.346 0.997 20 0 CCADLP C[C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+]1C)n1cc[nH+]c1 ZINC001117996884 856132068 /nfs/dbraw/zinc/13/20/68/856132068.db2.gz HCFDNQOIZRPNAN-RYUDHWBXSA-N 2 2 250.346 0.997 20 0 CCADLP C[C@H](NC(=O)[C@H](C)n1cc[nH+]c1)[C@H]1CCC[NH2+]C1 ZINC001118218543 856209165 /nfs/dbraw/zinc/20/91/65/856209165.db2.gz LETOUFHMICBLHY-SRVKXCTJSA-N 2 2 250.346 0.948 20 0 CCADLP c1cn(C2CC[NH+](CCN3CC[NH2+]CC3)CC2)c[nH+]1 ZINC001118223220 856211337 /nfs/dbraw/zinc/21/13/37/856211337.db2.gz OMBXZVMWYVDXCZ-UHFFFAOYSA-N 3 2 263.389 0.425 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc[nH]c1=O)C1CC1 ZINC001118960686 856509659 /nfs/dbraw/zinc/50/96/59/856509659.db2.gz VGCAAVGOEPCZES-LBPRGKRZSA-N 2 2 251.330 0.332 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc[nH]c1=O)C1CC1 ZINC001118960686 856509662 /nfs/dbraw/zinc/50/96/62/856509662.db2.gz VGCAAVGOEPCZES-LBPRGKRZSA-N 2 2 251.330 0.332 20 0 CCADLP CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CC[NH2+]C1 ZINC001119379788 856661203 /nfs/dbraw/zinc/66/12/03/856661203.db2.gz AUSNDVFICACZQT-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CC[NH2+]C1 ZINC001119379791 856661266 /nfs/dbraw/zinc/66/12/66/856661266.db2.gz AUSNDVFICACZQT-VXGBXAGGSA-N 2 2 262.357 0.656 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)NCC2CCC2)CC1 ZINC001120481813 857086712 /nfs/dbraw/zinc/08/67/12/857086712.db2.gz SMNSLOHETLITOR-UHFFFAOYSA-N 2 2 254.378 0.509 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC1(O)C[NH+](CCC(C)C)C1 ZINC001393324829 912514358 /nfs/dbraw/zinc/51/43/58/912514358.db2.gz HNKLNDXSSQFZFP-UHFFFAOYSA-N 2 2 294.399 0.401 20 0 CCADLP CCOCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001323929924 912587086 /nfs/dbraw/zinc/58/70/86/912587086.db2.gz CEAYYZIESNXTCX-TZMCWYRMSA-N 2 2 283.416 0.506 20 0 CCADLP CCOCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001323929924 912587098 /nfs/dbraw/zinc/58/70/98/912587098.db2.gz CEAYYZIESNXTCX-TZMCWYRMSA-N 2 2 283.416 0.506 20 0 CCADLP C[C@H](F)CC[N@@H+]1CCOC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001393529526 912629576 /nfs/dbraw/zinc/62/95/76/912629576.db2.gz UCNSYDPCWMSQHO-STQMWFEESA-N 2 2 289.395 0.503 20 0 CCADLP C[C@H](F)CC[N@H+]1CCOC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001393529526 912629585 /nfs/dbraw/zinc/62/95/85/912629585.db2.gz UCNSYDPCWMSQHO-STQMWFEESA-N 2 2 289.395 0.503 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H](C[NH2+]CCO)C1CCCC1 ZINC001324504644 912878277 /nfs/dbraw/zinc/87/82/77/912878277.db2.gz CLVMAOANYLQTST-LBPRGKRZSA-N 2 2 280.372 0.209 20 0 CCADLP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]CCn1cccn1 ZINC001394532132 913239872 /nfs/dbraw/zinc/23/98/72/913239872.db2.gz NGPQIVPJDDPLFX-GFCCVEGCSA-N 2 2 290.371 0.285 20 0 CCADLP COC[C@@H](C)[NH2+]C1CC(N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001394854331 913469679 /nfs/dbraw/zinc/46/96/79/913469679.db2.gz VYKUIKPZLJSUBK-IYXRBSQSSA-N 2 2 294.399 0.887 20 0 CCADLP Cc1cnc(C[N@@H+](C)CCNC(=O)CCC[NH+](C)C)cn1 ZINC001480907446 891738684 /nfs/dbraw/zinc/73/86/84/891738684.db2.gz KKWMQDHNACNSOR-UHFFFAOYSA-N 2 2 293.415 0.675 20 0 CCADLP Cc1cnc(C[N@H+](C)CCNC(=O)CCC[NH+](C)C)cn1 ZINC001480907446 891738688 /nfs/dbraw/zinc/73/86/88/891738688.db2.gz KKWMQDHNACNSOR-UHFFFAOYSA-N 2 2 293.415 0.675 20 0 CCADLP CC[N@H+](C)CCC(=O)NCC[NH+](C)Cc1nccnc1C ZINC001480933126 891871928 /nfs/dbraw/zinc/87/19/28/891871928.db2.gz YDWZATATAOYSDX-UHFFFAOYSA-N 2 2 293.415 0.675 20 0 CCADLP CC[N@@H+](C)CCC(=O)NCC[NH+](C)Cc1nccnc1C ZINC001480933126 891871946 /nfs/dbraw/zinc/87/19/46/891871946.db2.gz YDWZATATAOYSDX-UHFFFAOYSA-N 2 2 293.415 0.675 20 0 CCADLP CC[NH+](C)CCC(=O)NCC[N@H+](C)Cc1nccnc1C ZINC001480933126 891871959 /nfs/dbraw/zinc/87/19/59/891871959.db2.gz YDWZATATAOYSDX-UHFFFAOYSA-N 2 2 293.415 0.675 20 0 CCADLP CC[NH+](C)CCC(=O)NCC[N@@H+](C)Cc1nccnc1C ZINC001480933126 891871974 /nfs/dbraw/zinc/87/19/74/891871974.db2.gz YDWZATATAOYSDX-UHFFFAOYSA-N 2 2 293.415 0.675 20 0 CCADLP COCC[NH2+]CCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001481250785 892440379 /nfs/dbraw/zinc/44/03/79/892440379.db2.gz QEMCUSOKJSMVBD-LBPRGKRZSA-N 2 2 280.372 0.140 20 0 CCADLP CCCN(C(=O)CCn1cc[nH+]c1)[C@@H]1CC[N@H+](CCO)C1 ZINC001481403624 892616802 /nfs/dbraw/zinc/61/68/02/892616802.db2.gz FBQTVFAFNSGGCK-CQSZACIVSA-N 2 2 294.399 0.578 20 0 CCADLP CCCN(C(=O)CCn1cc[nH+]c1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001481403624 892616805 /nfs/dbraw/zinc/61/68/05/892616805.db2.gz FBQTVFAFNSGGCK-CQSZACIVSA-N 2 2 294.399 0.578 20 0 CCADLP Cn1c[nH+]cc1CN1CC(NC(=O)CCC[NH+](C)C)C1 ZINC001481580711 892860783 /nfs/dbraw/zinc/86/07/83/892860783.db2.gz ZXGWSIRNPYODTO-UHFFFAOYSA-N 2 2 279.388 0.062 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1C[NH+](CC[C@@H]2CCOC2)C1 ZINC001481663059 892981210 /nfs/dbraw/zinc/98/12/10/892981210.db2.gz TUAONRBVYPYRCX-CYBMUJFWSA-N 2 2 292.383 0.358 20 0 CCADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]C[C@H]1CCCOC1 ZINC001481886047 893245896 /nfs/dbraw/zinc/24/58/96/893245896.db2.gz YWWHOUVTHOJKLV-ZIAGYGMSSA-N 2 2 294.399 0.794 20 0 CCADLP CC(C)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001481921876 893267536 /nfs/dbraw/zinc/26/75/36/893267536.db2.gz JNWPMNZFRIZOPZ-GOEBONIOSA-N 2 2 297.443 0.848 20 0 CCADLP CC(C)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001481921876 893267543 /nfs/dbraw/zinc/26/75/43/893267543.db2.gz JNWPMNZFRIZOPZ-GOEBONIOSA-N 2 2 297.443 0.848 20 0 CCADLP C[C@@H](C[NH2+]CCCO)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001482296474 893797187 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CCADLP Cc1nnc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)C(C)C)[nH]1 ZINC001409454840 895188337 /nfs/dbraw/zinc/18/83/37/895188337.db2.gz FRWFNGUNHSZSEZ-GHMZBOCLSA-N 2 2 296.419 0.436 20 0 CCADLP Cc1oncc1C[NH2+][C@@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001409471158 895194676 /nfs/dbraw/zinc/19/46/76/895194676.db2.gz OKVUDYAWCAUTMN-QWRGUYRKSA-N 2 2 291.355 0.863 20 0 CCADLP C[C@@H](C[NH2+]CCF)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001483242404 895371289 /nfs/dbraw/zinc/37/12/89/895371289.db2.gz IJGBZVDZBAPSBO-QWRGUYRKSA-N 2 2 268.336 0.509 20 0 CCADLP CO[C@@H](C[NH2+]C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1)C1CCC1 ZINC001483270052 895401049 /nfs/dbraw/zinc/40/10/49/895401049.db2.gz IKJMFTMRHMPLGE-FZMZJTMJSA-N 2 2 294.399 0.862 20 0 CCADLP CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001483354940 895492089 /nfs/dbraw/zinc/49/20/89/895492089.db2.gz DLWBPWZZSJGNBA-NWDGAFQWSA-N 2 2 264.373 0.902 20 0 CCADLP CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001483354940 895492096 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Cc1[nH+]c[nH]c1CC(=O)N1CC[C@](C)(C[NH2+]C[C@H](C)O)C1 ZINC001484122632 896202963 /nfs/dbraw/zinc/20/29/63/896202963.db2.gz IDNXCPGNIJZFGY-XHDPSFHLSA-N 2 2 294.399 0.470 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@](C)(C[NH2+]C[C@@H](C)O)C1 ZINC001484122630 896203840 /nfs/dbraw/zinc/20/38/40/896203840.db2.gz IDNXCPGNIJZFGY-IAQYHMDHSA-N 2 2 294.399 0.470 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@]1(C)CCC[N@H+](CCO)C1 ZINC001484176032 896221634 /nfs/dbraw/zinc/22/16/34/896221634.db2.gz ZSHUXYCTMCIELJ-HNNXBMFYSA-N 2 2 294.399 0.173 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@]1(C)CCC[N@@H+](CCO)C1 ZINC001484176032 896221647 /nfs/dbraw/zinc/22/16/47/896221647.db2.gz ZSHUXYCTMCIELJ-HNNXBMFYSA-N 2 2 294.399 0.173 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+]CCC[C@H](C)O ZINC001493775766 896366455 /nfs/dbraw/zinc/36/64/55/896366455.db2.gz VWPAJXASWMMGGW-NSHDSACASA-N 2 2 282.388 0.470 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC1CC(C[NH2+]CCF)C1 ZINC001485095442 896776529 /nfs/dbraw/zinc/77/65/29/896776529.db2.gz WCMTVIYHGAMOSL-UHFFFAOYSA-N 2 2 268.336 0.796 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC1CC(C[NH2+]CCF)C1 ZINC001485095442 896776540 /nfs/dbraw/zinc/77/65/40/896776540.db2.gz WCMTVIYHGAMOSL-UHFFFAOYSA-N 2 2 268.336 0.796 20 0 CCADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)C1 ZINC001326692294 914100706 /nfs/dbraw/zinc/10/07/06/914100706.db2.gz GDMJHMIONRUVKT-HUUCEWRRSA-N 3 2 266.433 0.308 20 0 CCADLP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)C1 ZINC001326692294 914100721 /nfs/dbraw/zinc/10/07/21/914100721.db2.gz GDMJHMIONRUVKT-HUUCEWRRSA-N 3 2 266.433 0.308 20 0 CCADLP CCC[NH+]1CC(CCO)(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001485408827 897028602 /nfs/dbraw/zinc/02/86/02/897028602.db2.gz TWPQXZHSEIOCAE-UHFFFAOYSA-N 2 2 295.427 0.578 20 0 CCADLP COCC[NH+]1CC([C@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001485519219 897103126 /nfs/dbraw/zinc/10/31/26/897103126.db2.gz UBPNEZYQZLJGQF-LBPRGKRZSA-N 2 2 280.372 0.356 20 0 CCADLP COCC[NH2+]C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001326747629 914136506 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C[C@H](C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)n1cc[nH+]c1 ZINC001326813744 914198173 /nfs/dbraw/zinc/19/81/73/914198173.db2.gz PJNJEDAGJPBPKQ-UTUOFQBUSA-N 2 2 250.346 0.901 20 0 CCADLP CC(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078006928 898176254 /nfs/dbraw/zinc/17/62/54/898176254.db2.gz IVOQOWPRZQHICU-ZIAGYGMSSA-N 2 2 294.399 0.170 20 0 CCADLP CC(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078006928 898176263 /nfs/dbraw/zinc/17/62/63/898176263.db2.gz IVOQOWPRZQHICU-ZIAGYGMSSA-N 2 2 294.399 0.170 20 0 CCADLP CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001078083006 898226031 /nfs/dbraw/zinc/22/60/31/898226031.db2.gz BAMLTRLCTLMYDP-CHWSQXEVSA-N 2 2 280.372 0.222 20 0 CCADLP CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001078083006 898226048 /nfs/dbraw/zinc/22/60/48/898226048.db2.gz BAMLTRLCTLMYDP-CHWSQXEVSA-N 2 2 280.372 0.222 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O ZINC001078182221 898297697 /nfs/dbraw/zinc/29/76/97/898297697.db2.gz KZPRTPYIIHGCLX-JGLYPNHGSA-N 2 2 298.774 0.105 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O ZINC001078182221 898297710 /nfs/dbraw/zinc/29/77/10/898297710.db2.gz KZPRTPYIIHGCLX-JGLYPNHGSA-N 2 2 298.774 0.105 20 0 CCADLP CC(C)=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078270563 898321187 /nfs/dbraw/zinc/32/11/87/898321187.db2.gz DDPQGCMLMZXTFI-CHWSQXEVSA-N 2 2 278.356 0.011 20 0 CCADLP CC(C)=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001078270563 898321200 /nfs/dbraw/zinc/32/12/00/898321200.db2.gz DDPQGCMLMZXTFI-CHWSQXEVSA-N 2 2 278.356 0.011 20 0 CCADLP CC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CCCO1 ZINC001078503115 898400582 /nfs/dbraw/zinc/40/05/82/898400582.db2.gz XISYANQGURXWFM-LBPRGKRZSA-N 2 2 280.372 0.488 20 0 CCADLP CC[NH2+]C[C@@H](O)CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001486276848 898734783 /nfs/dbraw/zinc/73/47/83/898734783.db2.gz QXVSWHFVJRGHIP-CYBMUJFWSA-N 2 2 290.367 0.685 20 0 CCADLP CC(C)CC[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001486310957 898785231 /nfs/dbraw/zinc/78/52/31/898785231.db2.gz AKELUGFBAZVMTQ-CQSZACIVSA-N 2 2 296.415 0.418 20 0 CCADLP CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001486349693 898827068 /nfs/dbraw/zinc/82/70/68/898827068.db2.gz DTNUPGHNLYMQDA-TZMCWYRMSA-N 2 2 296.415 0.749 20 0 CCADLP CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001486349693 898827083 /nfs/dbraw/zinc/82/70/83/898827083.db2.gz DTNUPGHNLYMQDA-TZMCWYRMSA-N 2 2 296.415 0.749 20 0 CCADLP CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001486349693 898827095 /nfs/dbraw/zinc/82/70/95/898827095.db2.gz DTNUPGHNLYMQDA-TZMCWYRMSA-N 2 2 296.415 0.749 20 0 CCADLP CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001486349693 898827106 /nfs/dbraw/zinc/82/71/06/898827106.db2.gz DTNUPGHNLYMQDA-TZMCWYRMSA-N 2 2 296.415 0.749 20 0 CCADLP C[C@H](NC(=O)CCc1c[nH+]cn1C)C1C[NH+](CCCO)C1 ZINC001409983324 899040055 /nfs/dbraw/zinc/04/00/55/899040055.db2.gz PYFWIEPFGTYRFC-LBPRGKRZSA-N 2 2 294.399 0.172 20 0 CCADLP CC[C@H](C(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1)[NH+](CC)CC ZINC001494591726 899152324 /nfs/dbraw/zinc/15/23/24/899152324.db2.gz IYZMJILDJZMIAW-DGCLKSJQSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)C[C@H]1COCC[N@@H+]1CC(=O)N1CC[NH2+]CC1 ZINC001327086558 914362357 /nfs/dbraw/zinc/36/23/57/914362357.db2.gz DJHCMRCBMUEYLY-ZDUSSCGKSA-N 2 2 269.389 0.165 20 0 CCADLP CC(C)C[C@H]1COCC[N@H+]1CC(=O)N1CC[NH2+]CC1 ZINC001327086558 914362370 /nfs/dbraw/zinc/36/23/70/914362370.db2.gz DJHCMRCBMUEYLY-ZDUSSCGKSA-N 2 2 269.389 0.165 20 0 CCADLP CN(C[C@H](O)C[N@H+](C)CCCF)C(=O)Cc1[nH]cc[nH+]1 ZINC001411178975 899715345 /nfs/dbraw/zinc/71/53/45/899715345.db2.gz JBODGJIJBSCSOW-LLVKDONJSA-N 2 2 286.351 0.063 20 0 CCADLP CN(C[C@H](O)C[N@@H+](C)CCCF)C(=O)Cc1[nH]cc[nH+]1 ZINC001411178975 899715352 /nfs/dbraw/zinc/71/53/52/899715352.db2.gz JBODGJIJBSCSOW-LLVKDONJSA-N 2 2 286.351 0.063 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001493151492 900516422 /nfs/dbraw/zinc/51/64/22/900516422.db2.gz MUMMYOKQWDBCFG-LBPRGKRZSA-N 2 2 264.373 0.952 20 0 CCADLP CC(C)[N@H+]1CCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001493151492 900516431 /nfs/dbraw/zinc/51/64/31/900516431.db2.gz MUMMYOKQWDBCFG-LBPRGKRZSA-N 2 2 264.373 0.952 20 0 CCADLP C[C@@H](O)CCC[NH2+]CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001317642122 900740569 /nfs/dbraw/zinc/74/05/69/900740569.db2.gz OWLUTEGZTITJJE-LLVKDONJSA-N 2 2 268.361 0.161 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH+]2CCOC[C@H]2C)C1 ZINC001411772141 901243329 /nfs/dbraw/zinc/24/33/29/901243329.db2.gz GSLXZCXOLPOFAB-HUUCEWRRSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H](C(=O)NCC[NH+]2CCOC[C@H]2C)C1 ZINC001411772141 901243338 /nfs/dbraw/zinc/24/33/38/901243338.db2.gz GSLXZCXOLPOFAB-HUUCEWRRSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[NH+]1CCC[C@@H](C(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC001411772141 901243352 /nfs/dbraw/zinc/24/33/52/901243352.db2.gz GSLXZCXOLPOFAB-HUUCEWRRSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[NH+]1CCC[C@@H](C(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC001411772141 901243363 /nfs/dbraw/zinc/24/33/63/901243363.db2.gz GSLXZCXOLPOFAB-HUUCEWRRSA-N 2 2 297.443 0.944 20 0 CCADLP C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001327547266 914609243 /nfs/dbraw/zinc/60/92/43/914609243.db2.gz SYBVOKYKLSBHKY-RYUDHWBXSA-N 2 2 262.357 0.513 20 0 CCADLP C[C@@H]1C[N@H+](CCN2C[C@H](C)[NH+](CCO)C[C@H]2C)CCO1 ZINC001413010946 902468382 /nfs/dbraw/zinc/46/83/82/902468382.db2.gz LIRPWHMPYYIVSM-QLFBSQMISA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2C[C@H](C)[NH+](CCO)C[C@H]2C)CCO1 ZINC001413010946 902468389 /nfs/dbraw/zinc/46/83/89/902468389.db2.gz LIRPWHMPYYIVSM-QLFBSQMISA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H]1C[NH+](CCN2C[C@H](C)[N@H+](CCO)C[C@H]2C)CCO1 ZINC001413010946 902468397 /nfs/dbraw/zinc/46/83/97/902468397.db2.gz LIRPWHMPYYIVSM-QLFBSQMISA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H]1C[NH+](CCN2C[C@H](C)[N@@H+](CCO)C[C@H]2C)CCO1 ZINC001413010946 902468403 /nfs/dbraw/zinc/46/84/03/902468403.db2.gz LIRPWHMPYYIVSM-QLFBSQMISA-N 2 2 285.432 0.094 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NC(C)C)C1 ZINC001398339773 914629150 /nfs/dbraw/zinc/62/91/50/914629150.db2.gz NIVOGSRNNLRIJC-ZDUSSCGKSA-N 2 2 298.431 0.043 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NC(C)C)C1 ZINC001398339773 914629157 /nfs/dbraw/zinc/62/91/57/914629157.db2.gz NIVOGSRNNLRIJC-ZDUSSCGKSA-N 2 2 298.431 0.043 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)NC(C)C)C1 ZINC001398339773 914629167 /nfs/dbraw/zinc/62/91/67/914629167.db2.gz NIVOGSRNNLRIJC-ZDUSSCGKSA-N 2 2 298.431 0.043 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NC(C)C)C1 ZINC001398339773 914629174 /nfs/dbraw/zinc/62/91/74/914629174.db2.gz NIVOGSRNNLRIJC-ZDUSSCGKSA-N 2 2 298.431 0.043 20 0 CCADLP Cn1cc([C@@H]2CCC[N@H+](C[C@H](O)C[NH+](C)C3CC3)C2)nn1 ZINC001413092451 902700270 /nfs/dbraw/zinc/70/02/70/902700270.db2.gz RWKHCHPXACPORM-TZMCWYRMSA-N 2 2 293.415 0.450 20 0 CCADLP Cn1cc([C@@H]2CCC[N@@H+](C[C@H](O)C[NH+](C)C3CC3)C2)nn1 ZINC001413092451 902700283 /nfs/dbraw/zinc/70/02/83/902700283.db2.gz RWKHCHPXACPORM-TZMCWYRMSA-N 2 2 293.415 0.450 20 0 CCADLP Cn1cc([C@@H]2CCC[NH+](C[C@H](O)C[N@H+](C)C3CC3)C2)nn1 ZINC001413092451 902700291 /nfs/dbraw/zinc/70/02/91/902700291.db2.gz RWKHCHPXACPORM-TZMCWYRMSA-N 2 2 293.415 0.450 20 0 CCADLP Cn1cc([C@@H]2CCC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)C2)nn1 ZINC001413092451 902700302 /nfs/dbraw/zinc/70/03/02/902700302.db2.gz RWKHCHPXACPORM-TZMCWYRMSA-N 2 2 293.415 0.450 20 0 CCADLP COC[C@H](C)[NH2+][C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001398444888 914654406 /nfs/dbraw/zinc/65/44/06/914654406.db2.gz WDZZTERVJMSRTI-GWCFXTLKSA-N 2 2 280.372 0.472 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC001413159429 902751027 /nfs/dbraw/zinc/75/10/27/902751027.db2.gz WHDWBSZCBPRTNH-QWRGUYRKSA-N 2 2 280.372 0.174 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC001413159429 902751041 /nfs/dbraw/zinc/75/10/41/902751041.db2.gz WHDWBSZCBPRTNH-QWRGUYRKSA-N 2 2 280.372 0.174 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001398552148 914697418 /nfs/dbraw/zinc/69/74/18/914697418.db2.gz BHXQLQWPNAWVCJ-FDYHWXHSSA-N 2 2 294.399 0.860 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001398552148 914697424 /nfs/dbraw/zinc/69/74/24/914697424.db2.gz BHXQLQWPNAWVCJ-FDYHWXHSSA-N 2 2 294.399 0.860 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NC[C@@H](C)[NH2+]C[C@@H](C)O ZINC001491495745 903625172 /nfs/dbraw/zinc/62/51/72/903625172.db2.gz QQSAMEVQFUQDAS-GHMZBOCLSA-N 2 2 281.356 0.108 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC1(C[NH2+]CCF)CCOCC1 ZINC001281281016 904257201 /nfs/dbraw/zinc/25/72/01/904257201.db2.gz ZPTQJSHWVWDXNX-UHFFFAOYSA-N 2 2 298.362 0.187 20 0 CCADLP CCC[N@H+](CCNC(=O)Cn1cc[nH+]c1)C[C@H]1CCOC1 ZINC001377507989 904952209 /nfs/dbraw/zinc/95/22/09/904952209.db2.gz CSENNLJOMDDNDV-CQSZACIVSA-N 2 2 294.399 0.748 20 0 CCADLP CCC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)C[C@H]1CCOC1 ZINC001377507989 904952219 /nfs/dbraw/zinc/95/22/19/904952219.db2.gz CSENNLJOMDDNDV-CQSZACIVSA-N 2 2 294.399 0.748 20 0 CCADLP CC[C@H](C(=O)N(C)CC[NH2+][C@@H](C)c1nnc(C)[nH]1)[NH+](C)C ZINC001377574045 905004826 /nfs/dbraw/zinc/00/48/26/905004826.db2.gz LXZVVRRXLADPQH-CMPLNLGQSA-N 2 2 296.419 0.562 20 0 CCADLP C[C@@H]([NH2+]CCN(C)C(=O)C[NH+]1CCCC1)c1csnn1 ZINC001377593410 905035965 /nfs/dbraw/zinc/03/59/65/905035965.db2.gz AJUGXCHBBMHLGC-LLVKDONJSA-N 2 2 297.428 0.743 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]1C[N@H+](C)CCCO ZINC001377673542 905091201 /nfs/dbraw/zinc/09/12/01/905091201.db2.gz SWSBXFNWCATPAK-CYBMUJFWSA-N 2 2 294.399 0.566 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]1C[N@@H+](C)CCCO ZINC001377673542 905091218 /nfs/dbraw/zinc/09/12/18/905091218.db2.gz SWSBXFNWCATPAK-CYBMUJFWSA-N 2 2 294.399 0.566 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCCO)CN1C(=O)CCc1[nH+]ccn1C ZINC001283997966 905111337 /nfs/dbraw/zinc/11/13/37/905111337.db2.gz FKFMDMHSJILWKN-STQMWFEESA-N 2 2 294.399 0.314 20 0 CCADLP CCOCC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001284017102 905118528 /nfs/dbraw/zinc/11/85/28/905118528.db2.gz LRDQNWPJNVVJJI-NWDGAFQWSA-N 2 2 280.372 0.568 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1nc(C)no1 ZINC001377885416 905213700 /nfs/dbraw/zinc/21/37/00/905213700.db2.gz RENPVIZMXDCMAO-MNOVXSKESA-N 2 2 297.403 0.703 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1nc(C)no1 ZINC001377885416 905213712 /nfs/dbraw/zinc/21/37/12/905213712.db2.gz RENPVIZMXDCMAO-MNOVXSKESA-N 2 2 297.403 0.703 20 0 CCADLP CC(C)CC[NH+]1CC(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001377932978 905254636 /nfs/dbraw/zinc/25/46/36/905254636.db2.gz DEWKWGXUOIPMSV-CQSZACIVSA-N 2 2 297.443 0.801 20 0 CCADLP CC[N@H+](C)CCC(=O)NC1C[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001377931136 905255608 /nfs/dbraw/zinc/25/56/08/905255608.db2.gz VMYZKKODQRFEPD-AWEZNQCLSA-N 2 2 297.443 0.944 20 0 CCADLP CC[N@@H+](C)CCC(=O)NC1C[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001377931136 905255625 /nfs/dbraw/zinc/25/56/25/905255625.db2.gz VMYZKKODQRFEPD-AWEZNQCLSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1C[NH+](CCCF)C1 ZINC001377998963 905310864 /nfs/dbraw/zinc/31/08/64/905310864.db2.gz YLMRFHSGZIYTOL-LLVKDONJSA-N 2 2 282.363 0.996 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1C[NH+](CCCF)C1 ZINC001377998963 905310880 /nfs/dbraw/zinc/31/08/80/905310880.db2.gz YLMRFHSGZIYTOL-LLVKDONJSA-N 2 2 282.363 0.996 20 0 CCADLP CC(C)(C)[C@H](C[NH2+]CCCO)NC(=O)CCc1c[nH]c[nH+]1 ZINC001284599053 905392676 /nfs/dbraw/zinc/39/26/76/905392676.db2.gz RRGAWEDZTZGLMQ-ZDUSSCGKSA-N 2 2 296.415 0.845 20 0 CCADLP CC(C)(C)[C@H](C[NH2+]CCCO)NC(=O)CCc1c[nH+]c[nH]1 ZINC001284599053 905392697 /nfs/dbraw/zinc/39/26/97/905392697.db2.gz RRGAWEDZTZGLMQ-ZDUSSCGKSA-N 2 2 296.415 0.845 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001378059803 905398089 /nfs/dbraw/zinc/39/80/89/905398089.db2.gz OUGJLJCKVZIJDV-JSGCOSHPSA-N 2 2 292.383 0.569 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001378059803 905398105 /nfs/dbraw/zinc/39/81/05/905398105.db2.gz OUGJLJCKVZIJDV-JSGCOSHPSA-N 2 2 292.383 0.569 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001378059803 905398118 /nfs/dbraw/zinc/39/81/18/905398118.db2.gz OUGJLJCKVZIJDV-JSGCOSHPSA-N 2 2 292.383 0.569 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001378059803 905398133 /nfs/dbraw/zinc/39/81/33/905398133.db2.gz OUGJLJCKVZIJDV-JSGCOSHPSA-N 2 2 292.383 0.569 20 0 CCADLP COCCC[NH2+]C1CC(N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001284770705 905432668 /nfs/dbraw/zinc/43/26/68/905432668.db2.gz HXPUFJLSHSBOIA-UHFFFAOYSA-N 2 2 294.399 0.958 20 0 CCADLP COCCC[NH2+]C1CC(N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001284770705 905432673 /nfs/dbraw/zinc/43/26/73/905432673.db2.gz HXPUFJLSHSBOIA-UHFFFAOYSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H](O)C[NH+]1CC([C@H](C)NC(=O)CCc2[nH+]ccn2C)C1 ZINC001378534684 905667933 /nfs/dbraw/zinc/66/79/33/905667933.db2.gz KYITWLWCGTWNLL-RYUDHWBXSA-N 2 2 294.399 0.170 20 0 CCADLP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cnsn1)[NH+](C)C ZINC001378784581 905819033 /nfs/dbraw/zinc/81/90/33/905819033.db2.gz ZDNAUKPIVGWKRW-CMPLNLGQSA-N 2 2 299.444 0.815 20 0 CCADLP C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cnon1 ZINC001379200923 906061107 /nfs/dbraw/zinc/06/11/07/906061107.db2.gz VDFCZOBXMYXIOP-ZYHUDNBSSA-N 2 2 281.360 0.100 20 0 CCADLP C[C@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cnon1 ZINC001379200923 906061115 /nfs/dbraw/zinc/06/11/15/906061115.db2.gz VDFCZOBXMYXIOP-ZYHUDNBSSA-N 2 2 281.360 0.100 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnsn1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001379538106 906333023 /nfs/dbraw/zinc/33/30/23/906333023.db2.gz XQBOMRVBAOTEPD-JTQLQIEISA-N 2 2 297.428 0.474 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC001292873643 906358281 /nfs/dbraw/zinc/35/82/81/906358281.db2.gz RNHQIZCXVOULOG-CYBMUJFWSA-N 2 2 262.357 0.813 20 0 CCADLP CCC[N@@H+]1CCOC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001380828115 906949714 /nfs/dbraw/zinc/94/97/14/906949714.db2.gz GCQYUJCVZYBWCN-OAHLLOKOSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[N@H+]1CCOC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001380828115 906949725 /nfs/dbraw/zinc/94/97/25/906949725.db2.gz GCQYUJCVZYBWCN-OAHLLOKOSA-N 2 2 297.443 0.945 20 0 CCADLP C[C@@H](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CCF ZINC001381204470 907115913 /nfs/dbraw/zinc/11/59/13/907115913.db2.gz HQAVVPZTWVYYPG-NWDGAFQWSA-N 2 2 282.363 0.899 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC001337930229 921303766 /nfs/dbraw/zinc/30/37/66/921303766.db2.gz RLDWARDNDPVREB-WDEREUQCSA-N 2 2 265.361 0.532 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccns1 ZINC001491624957 907459649 /nfs/dbraw/zinc/45/96/49/907459649.db2.gz PMHHSEZNAXLWSG-VIFPVBQESA-N 2 2 279.369 0.703 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+][C@H](C)c1nnc(C)o1 ZINC001491649340 907485238 /nfs/dbraw/zinc/48/52/38/907485238.db2.gz LLZUJDUTUGUQIZ-WDEREUQCSA-N 2 2 297.403 0.875 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+][C@H](C)c1nnc(C)o1 ZINC001491649340 907485253 /nfs/dbraw/zinc/48/52/53/907485253.db2.gz LLZUJDUTUGUQIZ-WDEREUQCSA-N 2 2 297.403 0.875 20 0 CCADLP C[N@H+](CCO)C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001381989056 907485772 /nfs/dbraw/zinc/48/57/72/907485772.db2.gz OTFQWHIOSJIGQZ-UHFFFAOYSA-N 2 2 294.399 0.578 20 0 CCADLP C[N@@H+](CCO)C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001381989056 907485786 /nfs/dbraw/zinc/48/57/86/907485786.db2.gz OTFQWHIOSJIGQZ-UHFFFAOYSA-N 2 2 294.399 0.578 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]([NH2+]C[C@@H](C)O)C(C)C ZINC001382005245 907490302 /nfs/dbraw/zinc/49/03/02/907490302.db2.gz SPLGOYCYXYVLJA-DGCLKSJQSA-N 2 2 296.415 0.762 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1CCC[C@@H]([NH2+]CCO)C1 ZINC001491895367 907627119 /nfs/dbraw/zinc/62/71/19/907627119.db2.gz GAALKQROSODYLV-ZIAGYGMSSA-N 2 2 294.399 0.673 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CC[C@@H](CC[NH3+])C2)c1 ZINC001336907883 908025365 /nfs/dbraw/zinc/02/53/65/908025365.db2.gz KAHAGSPOVFOFGN-LLVKDONJSA-N 2 2 265.361 0.343 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001337479221 908154874 /nfs/dbraw/zinc/15/48/74/908154874.db2.gz ISWYIRXGUDJUGY-LLVKDONJSA-N 2 2 250.346 0.943 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC001337479221 908154883 /nfs/dbraw/zinc/15/48/83/908154883.db2.gz ISWYIRXGUDJUGY-LLVKDONJSA-N 2 2 250.346 0.943 20 0 CCADLP CC(C)(O)C[N@@H+]1CC[C@H](Nc2cc(N)[nH+]cn2)C1 ZINC001337935738 908193692 /nfs/dbraw/zinc/19/36/92/908193692.db2.gz RECNYDNBZHQGML-VIFPVBQESA-N 2 2 251.334 0.316 20 0 CCADLP CC(C)(O)C[N@H+]1CC[C@H](Nc2cc(N)[nH+]cn2)C1 ZINC001337935738 908193695 /nfs/dbraw/zinc/19/36/95/908193695.db2.gz RECNYDNBZHQGML-VIFPVBQESA-N 2 2 251.334 0.316 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](c2nn[nH]n2)C1 ZINC001308035826 908371840 /nfs/dbraw/zinc/37/18/40/908371840.db2.gz SFAAKUVOPJPBKX-SNVBAGLBSA-N 2 2 261.333 0.355 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](c2nn[nH]n2)C1 ZINC001308035826 908371857 /nfs/dbraw/zinc/37/18/57/908371857.db2.gz SFAAKUVOPJPBKX-SNVBAGLBSA-N 2 2 261.333 0.355 20 0 CCADLP C[C@@H](C(N)=O)[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001308172388 908397975 /nfs/dbraw/zinc/39/79/75/908397975.db2.gz YORHLDAKVNCCDB-FPMFFAJLSA-N 2 2 251.374 0.668 20 0 CCADLP C[C@@H](C(N)=O)[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001308172388 908397990 /nfs/dbraw/zinc/39/79/90/908397990.db2.gz YORHLDAKVNCCDB-FPMFFAJLSA-N 2 2 251.374 0.668 20 0 CCADLP C[C@@H](C(N)=O)[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001308172388 908398005 /nfs/dbraw/zinc/39/80/05/908398005.db2.gz YORHLDAKVNCCDB-FPMFFAJLSA-N 2 2 251.374 0.668 20 0 CCADLP C[C@@H](C(N)=O)[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001308172388 908398020 /nfs/dbraw/zinc/39/80/20/908398020.db2.gz YORHLDAKVNCCDB-FPMFFAJLSA-N 2 2 251.374 0.668 20 0 CCADLP COCC[NH2+][C@@H]1CCCCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001316768809 908767629 /nfs/dbraw/zinc/76/76/29/908767629.db2.gz AWVBEOSDETUFJQ-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP CCOCC[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001316942344 908859245 /nfs/dbraw/zinc/85/92/45/908859245.db2.gz BKIXRAZAEBHTEF-CQSZACIVSA-N 2 2 294.399 0.959 20 0 CCADLP CCOCC[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001316942344 908859267 /nfs/dbraw/zinc/85/92/67/908859267.db2.gz BKIXRAZAEBHTEF-CQSZACIVSA-N 2 2 294.399 0.959 20 0 CCADLP COCC[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001317014349 908919698 /nfs/dbraw/zinc/91/96/98/908919698.db2.gz BPNMVKAUCUSOTB-UPJWGTAASA-N 2 2 292.383 0.644 20 0 CCADLP COCC[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001317014349 908919708 /nfs/dbraw/zinc/91/97/08/908919708.db2.gz BPNMVKAUCUSOTB-UPJWGTAASA-N 2 2 292.383 0.644 20 0 CCADLP Cc1cnc(C[NH2+]CCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)o1 ZINC001317654860 909447510 /nfs/dbraw/zinc/44/75/10/909447510.db2.gz KGTGDTRLQGRIOL-ZDUSSCGKSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1cnc(C[NH2+]CCN(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)o1 ZINC001317654860 909447521 /nfs/dbraw/zinc/44/75/21/909447521.db2.gz KGTGDTRLQGRIOL-ZDUSSCGKSA-N 2 2 294.399 0.873 20 0 CCADLP CCC[NH2+]C[C@@H](O)CNC(=O)c1cccc2[nH+]ccn21 ZINC001320245913 910552886 /nfs/dbraw/zinc/55/28/86/910552886.db2.gz NVNDNCPLTHTTGS-LLVKDONJSA-N 2 2 276.340 0.425 20 0 CCADLP CO[C@@H](C)C[N@H+](C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001390781457 910671577 /nfs/dbraw/zinc/67/15/77/910671577.db2.gz GCTIDGMOFCPISH-QWHCGFSZSA-N 2 2 294.399 0.528 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001390781457 910671593 /nfs/dbraw/zinc/67/15/93/910671593.db2.gz GCTIDGMOFCPISH-QWHCGFSZSA-N 2 2 294.399 0.528 20 0 CCADLP COCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001320471514 910688216 /nfs/dbraw/zinc/68/82/16/910688216.db2.gz XYORGTPYYCYVTA-OLZOCXBDSA-N 2 2 294.399 0.576 20 0 CCADLP CC[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)CC[C@H]1CCOC1 ZINC001390965102 910800752 /nfs/dbraw/zinc/80/07/52/910800752.db2.gz NGVKHLBPGMIXDB-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP CC[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)CC[C@H]1CCOC1 ZINC001390965102 910800764 /nfs/dbraw/zinc/80/07/64/910800764.db2.gz NGVKHLBPGMIXDB-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP COCC[N@@H+]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001391096866 910878207 /nfs/dbraw/zinc/87/82/07/910878207.db2.gz MWYIKPYEQREVQK-CYBMUJFWSA-N 2 2 280.372 0.358 20 0 CCADLP COCC[N@H+]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001391096866 910878230 /nfs/dbraw/zinc/87/82/30/910878230.db2.gz MWYIKPYEQREVQK-CYBMUJFWSA-N 2 2 280.372 0.358 20 0 CCADLP CC[NH2+]C/C=C/CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001321124093 911103348 /nfs/dbraw/zinc/10/33/48/911103348.db2.gz DFLMSMTVESNSOP-PCAWENJQSA-N 2 2 262.357 0.727 20 0 CCADLP CC[C@H](C(=O)NC1C[NH+](C[C@H]2CC(C)(C)CO2)C1)[NH+](C)C ZINC001391422149 911119040 /nfs/dbraw/zinc/11/90/40/911119040.db2.gz RUAGCYQBEFEHKZ-ZIAGYGMSSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@H](O)CCC[NH+]1CC(NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001391428919 911126757 /nfs/dbraw/zinc/12/67/57/911126757.db2.gz YPCJAQAXBOKREX-LBPRGKRZSA-N 2 2 283.416 0.432 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC/C=C\C[NH2+]CCCF ZINC001321262545 911197082 /nfs/dbraw/zinc/19/70/82/911197082.db2.gz PDYHHAOOBCLHRQ-UPHRSURJSA-N 2 2 254.309 0.574 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+]Cc1cnon1 ZINC001321420924 911292415 /nfs/dbraw/zinc/29/24/15/911292415.db2.gz UVBDTUBSZHJEOC-PLNGDYQASA-N 2 2 281.360 0.172 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC/C=C\C[NH2+]Cc1cnon1 ZINC001321420924 911292439 /nfs/dbraw/zinc/29/24/39/911292439.db2.gz UVBDTUBSZHJEOC-PLNGDYQASA-N 2 2 281.360 0.172 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC001417869599 921653003 /nfs/dbraw/zinc/65/30/03/921653003.db2.gz RKIYEXQIBCDPNF-PHIMTYICSA-N 2 2 280.372 0.174 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC001417869599 921653009 /nfs/dbraw/zinc/65/30/09/921653009.db2.gz RKIYEXQIBCDPNF-PHIMTYICSA-N 2 2 280.372 0.174 20 0 CCADLP Cc1conc1C[NH2+]C[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001391942367 911473295 /nfs/dbraw/zinc/47/32/95/911473295.db2.gz KLAFDPGBDOAEFP-SNVBAGLBSA-N 2 2 291.355 0.791 20 0 CCADLP C[C@H](C[NH2+]Cc1ccns1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001392467583 911836152 /nfs/dbraw/zinc/83/61/52/911836152.db2.gz UOUNHHHGCWCYSV-PWSUYJOCSA-N 2 2 298.412 0.068 20 0 CCADLP C[C@H](C[NH2+]Cc1ccns1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001392467583 911836159 /nfs/dbraw/zinc/83/61/59/911836159.db2.gz UOUNHHHGCWCYSV-PWSUYJOCSA-N 2 2 298.412 0.068 20 0 CCADLP C[C@H](C[NH2+]Cc1cnsn1)NC(=O)CC[NH+](C)C ZINC001392506213 911867969 /nfs/dbraw/zinc/86/79/69/911867969.db2.gz UONYZQDKADHAKQ-SECBINFHSA-N 2 2 271.390 0.084 20 0 CCADLP C[C@@H](C[NH2+]Cc1nnc(C2CC2)o1)NC(=O)CC[NH+](C)C ZINC001392597285 911974014 /nfs/dbraw/zinc/97/40/14/911974014.db2.gz YWRGBECBBBKPIO-JTQLQIEISA-N 2 2 295.387 0.493 20 0 CCADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)c1ccc(C[NH+](C)C)o1 ZINC001417977032 921746186 /nfs/dbraw/zinc/74/61/86/921746186.db2.gz FGVYTZHCQRADQO-LBPRGKRZSA-N 2 2 295.383 0.480 20 0 CCADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc(C[NH+](C)C)o1 ZINC001417977032 921746194 /nfs/dbraw/zinc/74/61/94/921746194.db2.gz FGVYTZHCQRADQO-LBPRGKRZSA-N 2 2 295.383 0.480 20 0 CCADLP Cc1oncc1C[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001399442824 915174048 /nfs/dbraw/zinc/17/40/48/915174048.db2.gz ZIWOHXYVXVTZBQ-ZDUSSCGKSA-N 2 2 280.372 0.625 20 0 CCADLP Cc1oncc1C[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001399442824 915174059 /nfs/dbraw/zinc/17/40/59/915174059.db2.gz ZIWOHXYVXVTZBQ-ZDUSSCGKSA-N 2 2 280.372 0.625 20 0 CCADLP Cc1oncc1C[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001399442824 915174074 /nfs/dbraw/zinc/17/40/74/915174074.db2.gz ZIWOHXYVXVTZBQ-ZDUSSCGKSA-N 2 2 280.372 0.625 20 0 CCADLP Cc1oncc1C[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001399442824 915174085 /nfs/dbraw/zinc/17/40/85/915174085.db2.gz ZIWOHXYVXVTZBQ-ZDUSSCGKSA-N 2 2 280.372 0.625 20 0 CCADLP Cc1ncc(C[NH+](C)CCNC(=O)C[N@H+]2CC[C@H](C)C2)o1 ZINC001399571833 915239360 /nfs/dbraw/zinc/23/93/60/915239360.db2.gz AHALZDUTAJNUOH-LBPRGKRZSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1ncc(C[NH+](C)CCNC(=O)C[N@@H+]2CC[C@H](C)C2)o1 ZINC001399571833 915239374 /nfs/dbraw/zinc/23/93/74/915239374.db2.gz AHALZDUTAJNUOH-LBPRGKRZSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1ncc(C[N@@H+](C)CCNC(=O)C[NH+]2CC[C@H](C)C2)o1 ZINC001399571833 915239389 /nfs/dbraw/zinc/23/93/89/915239389.db2.gz AHALZDUTAJNUOH-LBPRGKRZSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1ncc(C[N@H+](C)CCNC(=O)C[NH+]2CC[C@H](C)C2)o1 ZINC001399571833 915239404 /nfs/dbraw/zinc/23/94/04/915239404.db2.gz AHALZDUTAJNUOH-LBPRGKRZSA-N 2 2 294.399 0.873 20 0 CCADLP C[C@@H]([NH2+]C[C@H](C)O)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001400087689 915555484 /nfs/dbraw/zinc/55/54/84/915555484.db2.gz VEEASJVVAZMQGB-NWDGAFQWSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC1C[NH+](CCC2CC2)C1 ZINC001400452224 915748552 /nfs/dbraw/zinc/74/85/52/915748552.db2.gz UIPARRYXBPSUFZ-CYBMUJFWSA-N 2 2 295.427 0.555 20 0 CCADLP [NH3+]C1(CNC(=O)NCCCn2cc[nH+]c2)CCOCC1 ZINC001329427498 915902177 /nfs/dbraw/zinc/90/21/77/915902177.db2.gz XDMBGXMHTNUFPC-UHFFFAOYSA-N 2 2 281.360 0.080 20 0 CCADLP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1nncs1 ZINC001400935647 915990083 /nfs/dbraw/zinc/99/00/83/915990083.db2.gz VUHCZNFKUQXYNF-NSHDSACASA-N 2 2 297.428 0.618 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]C[C@H]1CCCOC1 ZINC001401141811 916066719 /nfs/dbraw/zinc/06/67/19/916066719.db2.gz HGWWTSYZYABZJP-QWHCGFSZSA-N 2 2 294.399 0.721 20 0 CCADLP CC(C)CC[N@@H+]1CCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001401157821 916073595 /nfs/dbraw/zinc/07/35/95/916073595.db2.gz FOZGMMGNWYFNLT-AWEZNQCLSA-N 2 2 294.399 0.746 20 0 CCADLP CC(C)CC[N@H+]1CCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001401157821 916073613 /nfs/dbraw/zinc/07/36/13/916073613.db2.gz FOZGMMGNWYFNLT-AWEZNQCLSA-N 2 2 294.399 0.746 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC001401256533 916151505 /nfs/dbraw/zinc/15/15/05/916151505.db2.gz PNJRDKZQWPCRGW-NEPJUHHUSA-N 2 2 282.388 0.434 20 0 CCADLP COC[C@@H](C)[NH2+][C@H](CNC(=O)Cc1c[nH+]cn1C)C(C)C ZINC001401398890 916242450 /nfs/dbraw/zinc/24/24/50/916242450.db2.gz ZFEYFRMXGBRHCM-TZMCWYRMSA-N 2 2 296.415 0.728 20 0 CCADLP CCc1noc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001401641589 916419742 /nfs/dbraw/zinc/41/97/42/916419742.db2.gz VRYOFPHLYKSPIH-GHMZBOCLSA-N 2 2 295.387 0.321 20 0 CCADLP CCc1noc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001401641589 916419751 /nfs/dbraw/zinc/41/97/51/916419751.db2.gz VRYOFPHLYKSPIH-GHMZBOCLSA-N 2 2 295.387 0.321 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1CC[NH+](CCO)CC1 ZINC001402050097 916775233 /nfs/dbraw/zinc/77/52/33/916775233.db2.gz IKHJNQVMZIIXKR-LBPRGKRZSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1CC[NH+](CCO)CC1 ZINC001402050097 916775252 /nfs/dbraw/zinc/77/52/52/916775252.db2.gz IKHJNQVMZIIXKR-LBPRGKRZSA-N 2 2 294.399 0.503 20 0 CCADLP Cn1cc[nH+]c1Cn1cc([C@@H]([NH3+])[C@@H]2CCCO2)nn1 ZINC001330775262 916853883 /nfs/dbraw/zinc/85/38/83/916853883.db2.gz QJCGDDHAKWTZOV-CMPLNLGQSA-N 2 2 262.317 0.239 20 0 CCADLP C[C@H](O)CCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001402235146 916883720 /nfs/dbraw/zinc/88/37/20/916883720.db2.gz XYHNCAZWLRUFRW-QWHCGFSZSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@H](O)CCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001402235146 916883730 /nfs/dbraw/zinc/88/37/30/916883730.db2.gz XYHNCAZWLRUFRW-QWHCGFSZSA-N 2 2 294.399 0.314 20 0 CCADLP CC[C@H](C)C[NH+]1CC(O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001402356477 916975889 /nfs/dbraw/zinc/97/58/89/916975889.db2.gz HVTPXMLHFKZFNI-ZDUSSCGKSA-N 2 2 294.399 0.482 20 0 CCADLP [NH3+][C@H]1C[C@@H](CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001331381726 917295243 /nfs/dbraw/zinc/29/52/43/917295243.db2.gz CZODXOVURBAIKT-OUAUKWLOSA-N 2 2 263.345 0.234 20 0 CCADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)[NH2+]Cc1ccn(C)n1 ZINC001403032347 917436263 /nfs/dbraw/zinc/43/62/63/917436263.db2.gz GXLVUTDANQFHBI-VXGBXAGGSA-N 2 2 290.371 0.300 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)Cc1cnn(C)c1 ZINC001403212067 917586663 /nfs/dbraw/zinc/58/66/63/917586663.db2.gz GCNKBFWPZJSHCU-LBPRGKRZSA-N 2 2 290.371 0.253 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)Cc1cnn(C)c1 ZINC001403212067 917586672 /nfs/dbraw/zinc/58/66/72/917586672.db2.gz GCNKBFWPZJSHCU-LBPRGKRZSA-N 2 2 290.371 0.253 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001403250944 917614762 /nfs/dbraw/zinc/61/47/62/917614762.db2.gz YBLMLYPIRVISLG-ZIAGYGMSSA-N 2 2 295.427 0.576 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001403250944 917614770 /nfs/dbraw/zinc/61/47/70/917614770.db2.gz YBLMLYPIRVISLG-ZIAGYGMSSA-N 2 2 295.427 0.576 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC001331926171 917721148 /nfs/dbraw/zinc/72/11/48/917721148.db2.gz DODDBLBTRZDRGK-WDEREUQCSA-N 2 2 266.345 0.178 20 0 CCADLP CN(C[C@H](O)C[NH2+]CC1CCC1)C(=O)CCc1c[nH]c[nH+]1 ZINC001403840751 918050743 /nfs/dbraw/zinc/05/07/43/918050743.db2.gz FGVXIEPQPBMXQY-CQSZACIVSA-N 2 2 294.399 0.551 20 0 CCADLP CN(C[C@H](O)C[NH2+]CC1CCC1)C(=O)CCc1c[nH+]c[nH]1 ZINC001403840751 918050756 /nfs/dbraw/zinc/05/07/56/918050756.db2.gz FGVXIEPQPBMXQY-CQSZACIVSA-N 2 2 294.399 0.551 20 0 CCADLP CC[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C[C@H]1CC[C@H](C)O1 ZINC001403929102 918134122 /nfs/dbraw/zinc/13/41/22/918134122.db2.gz ZWSIJWPTVRVSFB-GXTWGEPZSA-N 2 2 294.399 0.958 20 0 CCADLP CC[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C[C@H]1CC[C@H](C)O1 ZINC001403929102 918134139 /nfs/dbraw/zinc/13/41/39/918134139.db2.gz ZWSIJWPTVRVSFB-GXTWGEPZSA-N 2 2 294.399 0.958 20 0 CCADLP CCOC(=O)c1cc(C[NH2+]C2CC[NH+](C)CC2)[nH]n1 ZINC001332436683 918155619 /nfs/dbraw/zinc/15/56/19/918155619.db2.gz RYNWKKREXOVZRF-UHFFFAOYSA-N 2 2 266.345 0.770 20 0 CCADLP Cc1noc([C@H](C)[NH2+]CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001404345084 918320675 /nfs/dbraw/zinc/32/06/75/918320675.db2.gz SPRCYRDUQAKZAN-CMPLNLGQSA-N 2 2 295.387 0.439 20 0 CCADLP Cc1noc([C@H](C)[NH2+]CCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001404345084 918320689 /nfs/dbraw/zinc/32/06/89/918320689.db2.gz SPRCYRDUQAKZAN-CMPLNLGQSA-N 2 2 295.387 0.439 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)CC[NH2+][C@H](C)c1nnc(C)o1 ZINC001404478769 918365718 /nfs/dbraw/zinc/36/57/18/918365718.db2.gz UBOLOXOJAONPGE-LLVKDONJSA-N 2 2 297.403 0.829 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)CC[NH2+][C@H](C)c1nnc(C)o1 ZINC001404478769 918365730 /nfs/dbraw/zinc/36/57/30/918365730.db2.gz UBOLOXOJAONPGE-LLVKDONJSA-N 2 2 297.403 0.829 20 0 CCADLP C[NH+](C)C1(C(=O)NC2C[NH+](CC[C@@H]3CCCO3)C2)CCC1 ZINC001404774041 918459769 /nfs/dbraw/zinc/45/97/69/918459769.db2.gz QRLWTNLGRGGSFP-AWEZNQCLSA-N 2 2 295.427 0.840 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC1CN(Cc2c[nH+]cn2C)C1 ZINC001404846929 918490570 /nfs/dbraw/zinc/49/05/70/918490570.db2.gz VQEVHIAOHHPZJA-UHFFFAOYSA-N 2 2 279.388 0.061 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC1CN(Cc2c[nH+]cn2C)C1 ZINC001404846929 918490572 /nfs/dbraw/zinc/49/05/72/918490572.db2.gz VQEVHIAOHHPZJA-UHFFFAOYSA-N 2 2 279.388 0.061 20 0 CCADLP CCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001405194529 918647507 /nfs/dbraw/zinc/64/75/07/918647507.db2.gz QHOPBYZIBAUFCG-STQMWFEESA-N 2 2 280.372 0.187 20 0 CCADLP CCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001405194529 918647515 /nfs/dbraw/zinc/64/75/15/918647515.db2.gz QHOPBYZIBAUFCG-STQMWFEESA-N 2 2 280.372 0.187 20 0 CCADLP CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)[NH2+]Cc1cnsn1 ZINC001405348315 918736278 /nfs/dbraw/zinc/73/62/78/918736278.db2.gz WONZVUNPHNWHIA-PWSUYJOCSA-N 2 2 299.444 0.863 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@H](C)C[NH2+]Cc1cnon1 ZINC001405730734 918875360 /nfs/dbraw/zinc/87/53/60/918875360.db2.gz GSXLLQWTXXNDEZ-SNVBAGLBSA-N 2 2 292.343 0.117 20 0 CCADLP C[C@H](C[NH2+]Cc1ccccn1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001405865833 918951299 /nfs/dbraw/zinc/95/12/99/918951299.db2.gz FGIWRCYCYZWNFT-GFCCVEGCSA-N 2 2 287.367 0.984 20 0 CCADLP COCC[C@@H]([NH3+])C(=O)N(C)CCCn1cc[nH+]c1 ZINC001333644055 919068155 /nfs/dbraw/zinc/06/81/55/919068155.db2.gz VLQNUHBACMIKSD-LLVKDONJSA-N 2 2 254.334 0.095 20 0 CCADLP Cc1nnc([C@H](C)[NH+]2CCC(O)(C[NH+](C)C)CC2)o1 ZINC001333683149 919094487 /nfs/dbraw/zinc/09/44/87/919094487.db2.gz CBPCRLCQHKKFGW-JTQLQIEISA-N 2 2 268.361 0.828 20 0 CCADLP CC[C@H](C[NH2+]C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C)OC ZINC001406412667 919246922 /nfs/dbraw/zinc/24/69/22/919246922.db2.gz GTHYDONPHCXSHV-ZYHUDNBSSA-N 2 2 282.388 0.780 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+]Cc1csnn1 ZINC001406563732 919350532 /nfs/dbraw/zinc/35/05/32/919350532.db2.gz PQBZRFDXDFNKRB-VIFPVBQESA-N 2 2 294.384 0.338 20 0 CCADLP [NH3+][C@H]1CCC[C@@H](NC(=O)N2CCn3c[nH+]cc3C2)C1 ZINC001334260700 919465185 /nfs/dbraw/zinc/46/51/85/919465185.db2.gz DXZAOLOMKLICEC-WDEREUQCSA-N 2 2 263.345 0.678 20 0 CCADLP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1Cc1cncs1 ZINC001406868944 919504769 /nfs/dbraw/zinc/50/47/69/919504769.db2.gz ULWVTVGVAJCXBH-NSHDSACASA-N 2 2 282.413 0.785 20 0 CCADLP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1Cc1cncs1 ZINC001406868944 919504783 /nfs/dbraw/zinc/50/47/83/919504783.db2.gz ULWVTVGVAJCXBH-NSHDSACASA-N 2 2 282.413 0.785 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001407182185 919656955 /nfs/dbraw/zinc/65/69/55/919656955.db2.gz VAFWSEBKRWJRNY-ZFWWWQNUSA-N 2 2 294.399 0.889 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001407182185 919656970 /nfs/dbraw/zinc/65/69/70/919656970.db2.gz VAFWSEBKRWJRNY-ZFWWWQNUSA-N 2 2 294.399 0.889 20 0 CCADLP CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001407392699 919739589 /nfs/dbraw/zinc/73/95/89/919739589.db2.gz RPXMRJYOUKOTKN-LALPHHSUSA-N 2 2 292.383 0.476 20 0 CCADLP CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001407392699 919739606 /nfs/dbraw/zinc/73/96/06/919739606.db2.gz RPXMRJYOUKOTKN-LALPHHSUSA-N 2 2 292.383 0.476 20 0 CCADLP CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001407392699 919739621 /nfs/dbraw/zinc/73/96/21/919739621.db2.gz RPXMRJYOUKOTKN-LALPHHSUSA-N 2 2 292.383 0.476 20 0 CCADLP CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001407392699 919739636 /nfs/dbraw/zinc/73/96/36/919739636.db2.gz RPXMRJYOUKOTKN-LALPHHSUSA-N 2 2 292.383 0.476 20 0 CCADLP C[N@H+](CCO)C[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001408342697 920154778 /nfs/dbraw/zinc/15/47/78/920154778.db2.gz UWQVOWAWEBFQLA-CYBMUJFWSA-N 2 2 280.372 0.188 20 0 CCADLP C[N@@H+](CCO)C[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001408342697 920154789 /nfs/dbraw/zinc/15/47/89/920154789.db2.gz UWQVOWAWEBFQLA-CYBMUJFWSA-N 2 2 280.372 0.188 20 0 CCADLP COCC[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001408341717 920155842 /nfs/dbraw/zinc/15/58/42/920155842.db2.gz PJOKLNCDISBZQS-LBPRGKRZSA-N 2 2 280.372 0.521 20 0 CCADLP COCC[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001408341717 920155851 /nfs/dbraw/zinc/15/58/51/920155851.db2.gz PJOKLNCDISBZQS-LBPRGKRZSA-N 2 2 280.372 0.521 20 0 CCADLP O=C(NCCCCn1cc[nH+]c1)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001335664436 920357378 /nfs/dbraw/zinc/35/73/78/920357378.db2.gz BYEYOIFDVKZVLC-YNEHKIRRSA-N 2 2 277.372 0.855 20 0 CCADLP C[C@@H]1CN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1[NH3+] ZINC001336081373 920598335 /nfs/dbraw/zinc/59/83/35/920598335.db2.gz DNYZAQUUSXMGMB-GMTAPVOTSA-N 2 2 263.345 0.187 20 0 CCADLP NC(=O)NC(=O)CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001336800624 921019576 /nfs/dbraw/zinc/01/95/76/921019576.db2.gz HZTKIVXAADORNN-QWRGUYRKSA-N 2 2 268.361 0.178 20 0 CCADLP NC(=O)NC(=O)CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001336800624 921019592 /nfs/dbraw/zinc/01/95/92/921019592.db2.gz HZTKIVXAADORNN-QWRGUYRKSA-N 2 2 268.361 0.178 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001418110878 921830797 /nfs/dbraw/zinc/83/07/97/921830797.db2.gz HLRMWXCQGQIJIX-MELADBBJSA-N 2 2 294.399 0.935 20 0 CCADLP CCc1nnc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001418209986 921918473 /nfs/dbraw/zinc/91/84/73/921918473.db2.gz GJAOSWVGNNDRPK-WDEREUQCSA-N 2 2 295.387 0.321 20 0 CCADLP CCc1nnc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001418209986 921918479 /nfs/dbraw/zinc/91/84/79/921918479.db2.gz GJAOSWVGNNDRPK-WDEREUQCSA-N 2 2 295.387 0.321 20 0 CCADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]C[C@@H]1CCCCO1 ZINC001418257655 921966115 /nfs/dbraw/zinc/96/61/15/921966115.db2.gz QGQREJRCFNDYIA-KBPBESRZSA-N 2 2 294.399 0.937 20 0 CCADLP C[C@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]C[C@H]1CCOC1 ZINC001418268391 921976049 /nfs/dbraw/zinc/97/60/49/921976049.db2.gz YBUZKVQZGXVPPV-CHWSQXEVSA-N 2 2 294.399 0.484 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001418281877 921992121 /nfs/dbraw/zinc/99/21/21/921992121.db2.gz GBEPKWKMUBLSJY-WCQYABFASA-N 2 2 294.399 0.862 20 0 CCADLP C[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]CC(=O)N(C)C ZINC001418285303 921995735 /nfs/dbraw/zinc/99/57/35/921995735.db2.gz SVLJSRBCCVJNBU-VXGBXAGGSA-N 2 2 295.387 0.017 20 0 CCADLP CC[C@@H](C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)OC ZINC001418333439 922031879 /nfs/dbraw/zinc/03/18/79/922031879.db2.gz KARJKNWGQQTPPP-STQMWFEESA-N 2 2 280.372 0.499 20 0 CCADLP CO[C@H](C)C[N@H+](C)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001418473096 922159610 /nfs/dbraw/zinc/15/96/10/922159610.db2.gz VDBAIWXUZTWXRJ-OLZOCXBDSA-N 2 2 294.399 0.528 20 0 CCADLP CO[C@H](C)C[N@@H+](C)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001418473096 922159623 /nfs/dbraw/zinc/15/96/23/922159623.db2.gz VDBAIWXUZTWXRJ-OLZOCXBDSA-N 2 2 294.399 0.528 20 0 CCADLP CO[C@H](C)C[N@H+](C)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001418473094 922160684 /nfs/dbraw/zinc/16/06/84/922160684.db2.gz VDBAIWXUZTWXRJ-CHWSQXEVSA-N 2 2 294.399 0.528 20 0 CCADLP CO[C@H](C)C[N@@H+](C)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001418473094 922160688 /nfs/dbraw/zinc/16/06/88/922160688.db2.gz VDBAIWXUZTWXRJ-CHWSQXEVSA-N 2 2 294.399 0.528 20 0 CCADLP Cn1nccc1C[N@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001418488607 922172267 /nfs/dbraw/zinc/17/22/67/922172267.db2.gz GIBUOFFFLLPMJB-UHFFFAOYSA-N 2 2 293.415 0.310 20 0 CCADLP Cn1nccc1C[N@@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001418488607 922172274 /nfs/dbraw/zinc/17/22/74/922172274.db2.gz GIBUOFFFLLPMJB-UHFFFAOYSA-N 2 2 293.415 0.310 20 0 CCADLP C[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C[C@@H]1C[C@]12CCOC2 ZINC001418499014 922186657 /nfs/dbraw/zinc/18/66/57/922186657.db2.gz OXSFLMMNAZCFIG-WFASDCNBSA-N 2 2 292.383 0.427 20 0 CCADLP C[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C[C@@H]1C[C@]12CCOC2 ZINC001418499014 922186666 /nfs/dbraw/zinc/18/66/66/922186666.db2.gz OXSFLMMNAZCFIG-WFASDCNBSA-N 2 2 292.383 0.427 20 0 CCADLP C[NH2+]C[C@H](O)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001340744826 922194794 /nfs/dbraw/zinc/19/47/94/922194794.db2.gz AVRGYGBGGAXQGE-JTQLQIEISA-N 2 2 262.313 0.215 20 0 CCADLP O=C(/C=C\C[NH+]1CCOCC1)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001341066720 922335315 /nfs/dbraw/zinc/33/53/15/922335315.db2.gz QMAULHSJFRHPAL-RKYWYAJISA-N 2 2 293.411 0.523 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001418677975 922353547 /nfs/dbraw/zinc/35/35/47/922353547.db2.gz ANBNTNBVOWQNPZ-AWEZNQCLSA-N 2 2 299.378 0.986 20 0 CCADLP [NH3+]C1(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001341415558 922473941 /nfs/dbraw/zinc/47/39/41/922473941.db2.gz NTGBLTOKXRMREW-LBPRGKRZSA-N 2 2 267.373 0.237 20 0 CCADLP [NH3+]C1(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001341415558 922473953 /nfs/dbraw/zinc/47/39/53/922473953.db2.gz NTGBLTOKXRMREW-LBPRGKRZSA-N 2 2 267.373 0.237 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC001341548356 922545141 /nfs/dbraw/zinc/54/51/41/922545141.db2.gz QSZFBHAIACDJEU-RTXFEEFZSA-N 2 2 262.357 0.941 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC001341548356 922545146 /nfs/dbraw/zinc/54/51/46/922545146.db2.gz QSZFBHAIACDJEU-RTXFEEFZSA-N 2 2 262.357 0.941 20 0 CCADLP CC[C@@H](C(=O)N[C@H](CO)Cc1c[nH]c[nH+]1)[NH+](CC)CC ZINC001418999447 922559256 /nfs/dbraw/zinc/55/92/56/922559256.db2.gz YDHAVMLYJOLBAP-STQMWFEESA-N 2 2 282.388 0.550 20 0 CCADLP CC[C@@H](C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1)[NH+](CC)CC ZINC001418999447 922559270 /nfs/dbraw/zinc/55/92/70/922559270.db2.gz YDHAVMLYJOLBAP-STQMWFEESA-N 2 2 282.388 0.550 20 0 CCADLP COc1c(F)nccc1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001341690340 922630784 /nfs/dbraw/zinc/63/07/84/922630784.db2.gz LYDJHRUHBNMXTE-UHFFFAOYSA-N 2 2 296.346 0.382 20 0 CCADLP [NH3+]C[C@H]1CC[C@H](CNC(=O)C[C@@H]([NH3+])C(F)F)CC1 ZINC001341786973 922671835 /nfs/dbraw/zinc/67/18/35/922671835.db2.gz KHQKTTMFWJJBJY-OPRDCNLKSA-N 2 2 263.332 0.850 20 0 CCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1(C[NH3+])CCC1 ZINC001341793888 922674361 /nfs/dbraw/zinc/67/43/61/922674361.db2.gz DJYQSYXSUONPPU-GHMZBOCLSA-N 2 2 262.357 0.863 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001341956562 922736706 /nfs/dbraw/zinc/73/67/06/922736706.db2.gz AQERDIGOTJUPGR-ZYHUDNBSSA-N 2 2 266.345 0.165 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001341956562 922736719 /nfs/dbraw/zinc/73/67/19/922736719.db2.gz AQERDIGOTJUPGR-ZYHUDNBSSA-N 2 2 266.345 0.165 20 0 CCADLP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1cnsn1 ZINC001419289996 922754490 /nfs/dbraw/zinc/75/44/90/922754490.db2.gz VDYPJNCWEWMSIM-QWRGUYRKSA-N 2 2 297.428 0.474 20 0 CCADLP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnsn1 ZINC001419289996 922754503 /nfs/dbraw/zinc/75/45/03/922754503.db2.gz VDYPJNCWEWMSIM-QWRGUYRKSA-N 2 2 297.428 0.474 20 0 CCADLP C[C@H]1C[C@@H]([NH3+])CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001342069544 922790203 /nfs/dbraw/zinc/79/02/03/922790203.db2.gz NVDJKZDQMOSVBM-NNYUYHANSA-N 2 2 262.357 0.862 20 0 CCADLP C[N@H+](CC(=O)NCc1c[nH+]c2n1CCC2)[C@@H]1CCSC1 ZINC001419532851 922897706 /nfs/dbraw/zinc/89/77/06/922897706.db2.gz COWGOYUMHYNSQQ-LLVKDONJSA-N 2 2 294.424 0.883 20 0 CCADLP C[N@@H+](CC(=O)NCc1c[nH+]c2n1CCC2)[C@@H]1CCSC1 ZINC001419532851 922897723 /nfs/dbraw/zinc/89/77/23/922897723.db2.gz COWGOYUMHYNSQQ-LLVKDONJSA-N 2 2 294.424 0.883 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001419551018 922910946 /nfs/dbraw/zinc/91/09/46/922910946.db2.gz GWSMFEPLFXRQPN-LBPRGKRZSA-N 2 2 280.372 0.163 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CCC[N@H+](CCCO)C1 ZINC001419551018 922910954 /nfs/dbraw/zinc/91/09/54/922910954.db2.gz GWSMFEPLFXRQPN-LBPRGKRZSA-N 2 2 280.372 0.163 20 0 CCADLP CCN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CC[NH2+]C1 ZINC001342474774 922974533 /nfs/dbraw/zinc/97/45/33/922974533.db2.gz JXTFTZPOZVGOOA-DGCLKSJQSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001419663316 922986068 /nfs/dbraw/zinc/98/60/68/922986068.db2.gz WPWUCQQLRNYZII-NTASLKFISA-N 2 2 292.383 0.261 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001419663316 922986084 /nfs/dbraw/zinc/98/60/84/922986084.db2.gz WPWUCQQLRNYZII-NTASLKFISA-N 2 2 292.383 0.261 20 0 CCADLP COCCC1(C(=O)NCC[NH+]2CCC([NH3+])CC2)CC1 ZINC001342549489 923000304 /nfs/dbraw/zinc/00/03/04/923000304.db2.gz SHLFQYVLBJXYRB-UHFFFAOYSA-N 2 2 269.389 0.342 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC[C@@H]1CCOC1 ZINC001419842820 923130335 /nfs/dbraw/zinc/13/03/35/923130335.db2.gz AGXFOIBEQRGWDA-VXGBXAGGSA-N 2 2 280.372 0.473 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H](C)C[NH2+]1 ZINC001343459143 923326661 /nfs/dbraw/zinc/32/66/61/923326661.db2.gz OTCUFCGHDIAVLP-DDHJBXDOSA-N 2 2 262.357 0.732 20 0 CCADLP [NH3+][C@@H](CC(=O)N[C@@H]1CC[NH2+]C12CCCC2)C(F)F ZINC001343879424 923490209 /nfs/dbraw/zinc/49/02/09/923490209.db2.gz DJCIPQKEPDJDPU-DTWKUNHWSA-N 2 2 261.316 0.760 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC001343947229 923511584 /nfs/dbraw/zinc/51/15/84/923511584.db2.gz ZQFGZBLXVOJPBV-GMTAPVOTSA-N 2 2 250.346 0.927 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC001343947229 923511592 /nfs/dbraw/zinc/51/15/92/923511592.db2.gz ZQFGZBLXVOJPBV-GMTAPVOTSA-N 2 2 250.346 0.927 20 0 CCADLP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1nncs1)[NH+](C)C ZINC001420509631 923725797 /nfs/dbraw/zinc/72/57/97/923725797.db2.gz VLNSAYAHLDBRPG-VHSXEESVSA-N 2 2 285.417 0.473 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[C@@H]1C[NH3+] ZINC001345012747 923761386 /nfs/dbraw/zinc/76/13/86/923761386.db2.gz SQHXIFAEOOBCKC-IRCOFANPSA-N 2 2 262.357 0.957 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[C@@H]1C[NH3+] ZINC001345012747 923761399 /nfs/dbraw/zinc/76/13/99/923761399.db2.gz SQHXIFAEOOBCKC-IRCOFANPSA-N 2 2 262.357 0.957 20 0 CCADLP Cn1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)n1 ZINC001420987139 924073825 /nfs/dbraw/zinc/07/38/25/924073825.db2.gz VAHPOWWYYVSCOR-CYBMUJFWSA-N 2 2 293.415 0.452 20 0 CCADLP Cn1ccc(C[N@H+]2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)n1 ZINC001420987139 924073838 /nfs/dbraw/zinc/07/38/38/924073838.db2.gz VAHPOWWYYVSCOR-CYBMUJFWSA-N 2 2 293.415 0.452 20 0 CCADLP CN(C(=O)CCc1[nH+]ccn1C)C1CC[NH+](C)CC1 ZINC001346220706 924116428 /nfs/dbraw/zinc/11/64/28/924116428.db2.gz LLMVJOCSQWEDHV-UHFFFAOYSA-N 2 2 264.373 0.905 20 0 CCADLP COC[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001421135712 924175385 /nfs/dbraw/zinc/17/53/85/924175385.db2.gz FSOJUBICZJWMMI-QWHCGFSZSA-N 2 2 280.372 0.499 20 0 CCADLP CN(CC(C)(C)C[NH3+])C(=O)NCc1c[nH+]cn1C ZINC001350231234 925152406 /nfs/dbraw/zinc/15/24/06/925152406.db2.gz NODKXCPMLJBLIF-UHFFFAOYSA-N 2 2 253.350 0.546 20 0 CCADLP CC(C)([NH3+])CCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC001353126262 925735955 /nfs/dbraw/zinc/73/59/55/925735955.db2.gz KMNODKLAUFLGAV-ONEGZZNKSA-N 2 2 255.362 0.118 20 0 CCADLP [NH3+]C[C@H]1C[C@H](NC(=O)NCCCNc2cccc[nH+]2)C1 ZINC001353274915 925779408 /nfs/dbraw/zinc/77/94/08/925779408.db2.gz WPEVSJHELCPALP-HAQNSBGRSA-N 2 2 277.372 0.920 20 0 CCADLP CC[NH2+]CCNC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC001353417154 925828805 /nfs/dbraw/zinc/82/88/05/925828805.db2.gz VUXUSCHORZVWJD-UHFFFAOYSA-N 2 2 285.417 0.613 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CCSCCC[NH3+] ZINC001353534800 925864748 /nfs/dbraw/zinc/86/47/48/925864748.db2.gz JQJGBNMBMIIWKG-GFCCVEGCSA-N 2 2 289.445 0.295 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)CCSCCC[NH3+] ZINC001353534800 925864758 /nfs/dbraw/zinc/86/47/58/925864758.db2.gz JQJGBNMBMIIWKG-GFCCVEGCSA-N 2 2 289.445 0.295 20 0 CCADLP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C[C@@H]([NH3+])C(F)F ZINC001353549968 925867543 /nfs/dbraw/zinc/86/75/43/925867543.db2.gz ZBVRBHSVPGLBLP-OPRDCNLKSA-N 2 2 263.332 0.958 20 0 CCADLP C[NH2+]C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001356498997 926394922 /nfs/dbraw/zinc/39/49/22/926394922.db2.gz MDEQHKAVTQYAAU-SNVBAGLBSA-N 2 2 250.346 0.799 20 0 CCADLP C[NH2+]C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001356498997 926394938 /nfs/dbraw/zinc/39/49/38/926394938.db2.gz MDEQHKAVTQYAAU-SNVBAGLBSA-N 2 2 250.346 0.799 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC001356608179 926409913 /nfs/dbraw/zinc/40/99/13/926409913.db2.gz WJEXRJXKVDMHGR-VXGBXAGGSA-N 2 2 257.378 0.149 20 0 CCADLP CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001421364232 926699134 /nfs/dbraw/zinc/69/91/34/926699134.db2.gz SHVVECQVRLGVIH-DOMZBBRYSA-N 2 2 292.383 0.018 20 0 CCADLP CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001421364232 926699145 /nfs/dbraw/zinc/69/91/45/926699145.db2.gz SHVVECQVRLGVIH-DOMZBBRYSA-N 2 2 292.383 0.018 20 0 CCADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ocnc1C ZINC001421499214 926779193 /nfs/dbraw/zinc/77/91/93/926779193.db2.gz AWWQVKYFLREIFM-LBPRGKRZSA-N 2 2 291.355 0.864 20 0 CCADLP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001421958377 927016182 /nfs/dbraw/zinc/01/61/82/927016182.db2.gz MTHHTDPLCUMGEW-NEPJUHHUSA-N 2 2 295.387 0.017 20 0 CCADLP Cc1nnc(C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)C(C)C)o1 ZINC001421982523 927023618 /nfs/dbraw/zinc/02/36/18/927023618.db2.gz KZEJVNRJZUSMOF-NSHDSACASA-N 2 2 297.403 0.655 20 0 CCADLP Cc1nnc(C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C(C)C)o1 ZINC001421982523 927023630 /nfs/dbraw/zinc/02/36/30/927023630.db2.gz KZEJVNRJZUSMOF-NSHDSACASA-N 2 2 297.403 0.655 20 0 CCADLP C[C@@H](CC(=O)N(C)CC[N@@H+](C)CCCO)n1cc[nH+]c1 ZINC001422205922 927144775 /nfs/dbraw/zinc/14/47/75/927144775.db2.gz KPDAJHQLJPBASJ-ZDUSSCGKSA-N 2 2 282.388 0.607 20 0 CCADLP CC[N@H+](CCO)CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001422209501 927147537 /nfs/dbraw/zinc/14/75/37/927147537.db2.gz IDVLTQSZABDLOF-UHFFFAOYSA-N 2 2 294.399 0.436 20 0 CCADLP CC[N@@H+](CCO)CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001422209501 927147544 /nfs/dbraw/zinc/14/75/44/927147544.db2.gz IDVLTQSZABDLOF-UHFFFAOYSA-N 2 2 294.399 0.436 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cnn(C(C)(C)C)c2)CC1 ZINC001422605877 927402245 /nfs/dbraw/zinc/40/22/45/927402245.db2.gz IPRYIVOIJHXDCD-UHFFFAOYSA-N 2 2 293.415 0.502 20 0 CCADLP C[C@H](CC(=O)N[C@@H](C)C1C[NH+](CCO)C1)n1cc[nH+]c1 ZINC001422744051 927485574 /nfs/dbraw/zinc/48/55/74/927485574.db2.gz YRZJCXZOFBRTQJ-NEPJUHHUSA-N 2 2 280.372 0.263 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001362019682 927525792 /nfs/dbraw/zinc/52/57/92/927525792.db2.gz LYZTXOZUCMGMHC-CYBMUJFWSA-N 2 2 287.379 0.211 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)CC[N@H+]1CC[C@@H](F)C1 ZINC001362019682 927525803 /nfs/dbraw/zinc/52/58/03/927525803.db2.gz LYZTXOZUCMGMHC-CYBMUJFWSA-N 2 2 287.379 0.211 20 0 CCADLP C[C@H](C[N@H+](C)CCCO)NC(=O)CCc1[nH+]ccn1C ZINC001422843883 927546198 /nfs/dbraw/zinc/54/61/98/927546198.db2.gz HDAXNACXYFDJOA-GFCCVEGCSA-N 2 2 282.388 0.172 20 0 CCADLP C[C@H](C[N@@H+](C)CCCO)NC(=O)CCc1[nH+]ccn1C ZINC001422843883 927546207 /nfs/dbraw/zinc/54/62/07/927546207.db2.gz HDAXNACXYFDJOA-GFCCVEGCSA-N 2 2 282.388 0.172 20 0 CCADLP COC[C@H](C)[NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001423021285 927629735 /nfs/dbraw/zinc/62/97/35/927629735.db2.gz FKWSVAULGKFFDQ-JQWIXIFHSA-N 2 2 280.372 0.472 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1CC[N@@H+]1Cc1cccnc1 ZINC001423184053 927721133 /nfs/dbraw/zinc/72/11/33/927721133.db2.gz VLPZFINKXXKECV-OAHLLOKOSA-N 2 2 299.378 0.977 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1CC[N@H+]1Cc1cccnc1 ZINC001423184053 927721139 /nfs/dbraw/zinc/72/11/39/927721139.db2.gz VLPZFINKXXKECV-OAHLLOKOSA-N 2 2 299.378 0.977 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N(C)C[C@H](O)C[NH2+]C(C)C ZINC001423443949 927862475 /nfs/dbraw/zinc/86/24/75/927862475.db2.gz HCLXVKARWTVOFR-CYBMUJFWSA-N 2 2 295.383 0.450 20 0 CCADLP CC(C)N(CC[N@H+](C)CCO)C(=O)Cc1c[nH+]cn1C ZINC001423570463 927914416 /nfs/dbraw/zinc/91/44/16/927914416.db2.gz PTZCOWOYAWVPDR-UHFFFAOYSA-N 2 2 282.388 0.124 20 0 CCADLP CC(C)N(CC[N@@H+](C)CCO)C(=O)Cc1c[nH+]cn1C ZINC001423570463 927914420 /nfs/dbraw/zinc/91/44/20/927914420.db2.gz PTZCOWOYAWVPDR-UHFFFAOYSA-N 2 2 282.388 0.124 20 0 CCADLP CC[NH2+][C@]1(CO)CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001424409923 928178469 /nfs/dbraw/zinc/17/84/69/928178469.db2.gz RHGWSWLDXVCBNT-OAHLLOKOSA-N 2 2 294.399 0.626 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC1CC[NH+](C2CCOCC2)CC1 ZINC001362660464 928319798 /nfs/dbraw/zinc/31/97/98/928319798.db2.gz NGNFNMUHZXLDTL-UHFFFAOYSA-N 2 2 292.383 0.712 20 0 CCADLP C[C@H](CC(=O)N[C@@H](C)C1C[NH+](CCCO)C1)n1cc[nH+]c1 ZINC001425239472 928474815 /nfs/dbraw/zinc/47/48/15/928474815.db2.gz VGHUPRRKMFFHOH-OLZOCXBDSA-N 2 2 294.399 0.653 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](CO)[NH2+]CC1CC1 ZINC001425830083 928680610 /nfs/dbraw/zinc/68/06/10/928680610.db2.gz YZVUFRXBJAHDPS-GXFFZTMASA-N 2 2 280.372 0.065 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](CO)[NH2+]CC1CC1 ZINC001425830083 928680615 /nfs/dbraw/zinc/68/06/15/928680615.db2.gz YZVUFRXBJAHDPS-GXFFZTMASA-N 2 2 280.372 0.065 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N2CCc3cc[nH+]c(N)c3C2)C1 ZINC001363407682 929193126 /nfs/dbraw/zinc/19/31/26/929193126.db2.gz HYRGRHDTIQPBOC-LLVKDONJSA-N 2 2 274.368 0.890 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCc3cc[nH+]c(N)c3C2)C1 ZINC001363407682 929193132 /nfs/dbraw/zinc/19/31/32/929193132.db2.gz HYRGRHDTIQPBOC-LLVKDONJSA-N 2 2 274.368 0.890 20 0 CCADLP O=C(CC[N@H+]1CC[C@@H](F)C1)N[C@H]1CCn2c[nH+]cc2C1 ZINC001363459820 929263071 /nfs/dbraw/zinc/26/30/71/929263071.db2.gz VCIGFGJHSLRSAR-NEPJUHHUSA-N 2 2 280.347 0.748 20 0 CCADLP O=C(CC[N@@H+]1CC[C@@H](F)C1)N[C@H]1CCn2c[nH+]cc2C1 ZINC001363459820 929263084 /nfs/dbraw/zinc/26/30/84/929263084.db2.gz VCIGFGJHSLRSAR-NEPJUHHUSA-N 2 2 280.347 0.748 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC[N@H+](C)C[C@H]1CCOC1 ZINC001372052876 929720842 /nfs/dbraw/zinc/72/08/42/929720842.db2.gz VPTUKEGPGCOEFR-CYBMUJFWSA-N 2 2 294.399 0.437 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC[N@@H+](C)C[C@H]1CCOC1 ZINC001372052876 929720851 /nfs/dbraw/zinc/72/08/51/929720851.db2.gz VPTUKEGPGCOEFR-CYBMUJFWSA-N 2 2 294.399 0.437 20 0 CCADLP Cc1ncoc1C[NH+](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001372101492 929729483 /nfs/dbraw/zinc/72/94/83/929729483.db2.gz JSLMOWAVOAISBL-GFCCVEGCSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1ncoc1C[NH+](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001372101492 929729489 /nfs/dbraw/zinc/72/94/89/929729489.db2.gz JSLMOWAVOAISBL-GFCCVEGCSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1ncoc1C[N@@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001372101492 929729497 /nfs/dbraw/zinc/72/94/97/929729497.db2.gz JSLMOWAVOAISBL-GFCCVEGCSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1ncoc1C[N@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001372101492 929729500 /nfs/dbraw/zinc/72/95/00/929729500.db2.gz JSLMOWAVOAISBL-GFCCVEGCSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1nccnc1C[N@@H+](C)CCNC(=O)CC[NH+](C)C ZINC001372162234 929749473 /nfs/dbraw/zinc/74/94/73/929749473.db2.gz UJADTZIGJIARSI-UHFFFAOYSA-N 2 2 279.388 0.285 20 0 CCADLP Cc1nccnc1C[N@H+](C)CCNC(=O)CC[NH+](C)C ZINC001372162234 929749477 /nfs/dbraw/zinc/74/94/77/929749477.db2.gz UJADTZIGJIARSI-UHFFFAOYSA-N 2 2 279.388 0.285 20 0 CCADLP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@@H+]1CCOC1CCC1 ZINC001446123077 930342370 /nfs/dbraw/zinc/34/23/70/930342370.db2.gz CWJNOGUUKSLZSI-CQSZACIVSA-N 2 2 295.427 0.842 20 0 CCADLP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@H+]1CCOC1CCC1 ZINC001446123077 930342381 /nfs/dbraw/zinc/34/23/81/930342381.db2.gz CWJNOGUUKSLZSI-CQSZACIVSA-N 2 2 295.427 0.842 20 0 CCADLP CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)[NH2+]Cc1nnc(C)o1 ZINC001373820447 930354048 /nfs/dbraw/zinc/35/40/48/930354048.db2.gz JSUKFQLQQWBJDS-VXGBXAGGSA-N 2 2 297.403 0.703 20 0 CCADLP CC(C)[N@@H+]1CCO[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001374148656 930437829 /nfs/dbraw/zinc/43/78/29/930437829.db2.gz HYDIKYPSOWZUFB-ZDUSSCGKSA-N 2 2 280.372 0.188 20 0 CCADLP CC(C)[N@H+]1CCO[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001374148656 930437835 /nfs/dbraw/zinc/43/78/35/930437835.db2.gz HYDIKYPSOWZUFB-ZDUSSCGKSA-N 2 2 280.372 0.188 20 0 CCADLP CC[NH2+]CC1(NC(=O)CCn2cc[nH+]c2)CCOCC1 ZINC001447486559 930641460 /nfs/dbraw/zinc/64/14/60/930641460.db2.gz DNKWNMFLIRTRHN-UHFFFAOYSA-N 2 2 280.372 0.548 20 0 CCADLP C[C@H](C[NH2+]CC1CCOCC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001374825257 930679034 /nfs/dbraw/zinc/67/90/34/930679034.db2.gz ILBCFZZIEXKICS-LLVKDONJSA-N 2 2 280.372 0.473 20 0 CCADLP CC[C@H](C[N@H+](C)[C@H](C)CNC(=O)Cc1c[nH+]cn1C)OC ZINC001448127832 930826214 /nfs/dbraw/zinc/82/62/14/930826214.db2.gz BDTSTBITFVNSHV-TZMCWYRMSA-N 2 2 296.415 0.824 20 0 CCADLP CC[C@H](C[N@@H+](C)[C@H](C)CNC(=O)Cc1c[nH+]cn1C)OC ZINC001448127832 930826228 /nfs/dbraw/zinc/82/62/28/930826228.db2.gz BDTSTBITFVNSHV-TZMCWYRMSA-N 2 2 296.415 0.824 20 0 CCADLP Cc1noc(C[NH2+][C@@H](C)CN(C)C(=O)C[NH+]2CCCC2)n1 ZINC001448789176 930984622 /nfs/dbraw/zinc/98/46/22/930984622.db2.gz RTFLNWUFPVDLPX-NSHDSACASA-N 2 2 295.387 0.410 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](C)[NH2+]C[C@H]1CCOC1 ZINC001448789303 930985600 /nfs/dbraw/zinc/98/56/00/930985600.db2.gz RNNMMTSMJLUQKP-DGCLKSJQSA-N 2 2 294.399 0.734 20 0 CCADLP CC(C)[NH+]1CC(O)(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001376234365 931100058 /nfs/dbraw/zinc/10/00/58/931100058.db2.gz DVZSPRDFBFSTLV-UHFFFAOYSA-N 2 2 285.432 0.536 20 0 CCADLP CC(C)[NH+]1CC(O)(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001376234365 931100063 /nfs/dbraw/zinc/10/00/63/931100063.db2.gz DVZSPRDFBFSTLV-UHFFFAOYSA-N 2 2 285.432 0.536 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001376339748 931126688 /nfs/dbraw/zinc/12/66/88/931126688.db2.gz XUMNSGVBCLKSBC-NEPJUHHUSA-N 2 2 280.372 0.188 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC001449360392 931132003 /nfs/dbraw/zinc/13/20/03/931132003.db2.gz WARYNEIFHSIXHR-GFCCVEGCSA-N 2 2 280.372 0.224 20 0 CCADLP C[C@H](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CCF ZINC001377047989 931367524 /nfs/dbraw/zinc/36/75/24/931367524.db2.gz LGJHLJISXYHVAI-VXGBXAGGSA-N 2 2 282.363 0.899 20 0 CCADLP C[C@@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CC(N)=O ZINC001377049177 931367805 /nfs/dbraw/zinc/36/78/05/931367805.db2.gz LDYBAAQUPFZEPS-VIFPVBQESA-N 2 2 289.339 0.146 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[C@@H](C)[NH2+]Cc1cnon1 ZINC001377111189 931384182 /nfs/dbraw/zinc/38/41/82/931384182.db2.gz QLIFSBXCQRBKDJ-SNVBAGLBSA-N 2 2 292.343 0.259 20 0 CCADLP CCC[NH2+][C@]1(CO)CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001377166079 931415966 /nfs/dbraw/zinc/41/59/66/931415966.db2.gz YATXLZMFMJMBRN-OAHLLOKOSA-N 2 2 294.399 0.626 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)NCC(F)(F)F ZINC000124334579 187132761 /nfs/dbraw/zinc/13/27/61/187132761.db2.gz BCOLDKBRPFZKSF-UHFFFAOYSA-N 2 2 278.278 0.884 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)NCC(F)(F)F ZINC000124334579 187132762 /nfs/dbraw/zinc/13/27/62/187132762.db2.gz BCOLDKBRPFZKSF-UHFFFAOYSA-N 2 2 278.278 0.884 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000091136826 349450567 /nfs/dbraw/zinc/45/05/67/349450567.db2.gz MLSQQHXIHDUNCG-SNVBAGLBSA-N 2 2 268.386 0.474 20 0 CCADLP C[C@@H]1OCC[C@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000092497057 349496637 /nfs/dbraw/zinc/49/66/37/349496637.db2.gz YJFSJDBHDNUZCP-GXTWGEPZSA-N 2 2 283.416 0.554 20 0 CCADLP C[N@H+](CCC(=O)OC(C)(C)C)CC(=O)N1CC[NH+](C)CC1 ZINC000093189472 349529701 /nfs/dbraw/zinc/52/97/01/349529701.db2.gz IRWKORJHAVXFLL-UHFFFAOYSA-N 2 2 299.415 0.424 20 0 CCADLP C[N@@H+](CCC(=O)OC(C)(C)C)CC(=O)N1CC[NH+](C)CC1 ZINC000093189472 349529703 /nfs/dbraw/zinc/52/97/03/349529703.db2.gz IRWKORJHAVXFLL-UHFFFAOYSA-N 2 2 299.415 0.424 20 0 CCADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093178906 349530428 /nfs/dbraw/zinc/53/04/28/349530428.db2.gz VWTRKZKUTVKOSB-AWEZNQCLSA-N 3 2 282.432 0.034 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093178906 349530429 /nfs/dbraw/zinc/53/04/29/349530429.db2.gz VWTRKZKUTVKOSB-AWEZNQCLSA-N 3 2 282.432 0.034 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093178906 349530433 /nfs/dbraw/zinc/53/04/33/349530433.db2.gz VWTRKZKUTVKOSB-AWEZNQCLSA-N 3 2 282.432 0.034 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093178906 349530435 /nfs/dbraw/zinc/53/04/35/349530435.db2.gz VWTRKZKUTVKOSB-AWEZNQCLSA-N 3 2 282.432 0.034 20 0 CCADLP CCOCC[N@H+](C)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000093312989 349537106 /nfs/dbraw/zinc/53/71/06/349537106.db2.gz KTKMOJCAQVVFFG-ZDUSSCGKSA-N 2 2 271.405 0.507 20 0 CCADLP CCOCC[N@@H+](C)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000093312989 349537109 /nfs/dbraw/zinc/53/71/09/349537109.db2.gz KTKMOJCAQVVFFG-ZDUSSCGKSA-N 2 2 271.405 0.507 20 0 CCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCC[NH+]1C ZINC000617505524 365661373 /nfs/dbraw/zinc/66/13/73/365661373.db2.gz GGTJBRRDDVNJDV-UONOGXRCSA-N 3 2 284.448 0.469 20 0 CCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCC[NH+]1C ZINC000617505524 365661375 /nfs/dbraw/zinc/66/13/75/365661375.db2.gz GGTJBRRDDVNJDV-UONOGXRCSA-N 3 2 284.448 0.469 20 0 CCADLP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000617505524 365661379 /nfs/dbraw/zinc/66/13/79/365661379.db2.gz GGTJBRRDDVNJDV-UONOGXRCSA-N 3 2 284.448 0.469 20 0 CCADLP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCC[N@H+]1C ZINC000617505524 365661382 /nfs/dbraw/zinc/66/13/82/365661382.db2.gz GGTJBRRDDVNJDV-UONOGXRCSA-N 3 2 284.448 0.469 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)NCc2ccccc2)CC[C@@H]1[NH3+] ZINC000094341785 349566818 /nfs/dbraw/zinc/56/68/18/349566818.db2.gz GRPMUEYUUMSYKL-JSGCOSHPSA-N 2 2 261.369 0.972 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)NCc2ccccc2)CC[C@@H]1[NH3+] ZINC000094341785 349566821 /nfs/dbraw/zinc/56/68/21/349566821.db2.gz GRPMUEYUUMSYKL-JSGCOSHPSA-N 2 2 261.369 0.972 20 0 CCADLP COc1cccc(CNC(=O)C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000094341215 349567252 /nfs/dbraw/zinc/56/72/52/349567252.db2.gz AABHVDVLZYCFBX-DOMZBBRYSA-N 2 2 291.395 0.981 20 0 CCADLP COc1cccc(CNC(=O)C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000094341215 349567256 /nfs/dbraw/zinc/56/72/56/349567256.db2.gz AABHVDVLZYCFBX-DOMZBBRYSA-N 2 2 291.395 0.981 20 0 CCADLP CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000094635456 349571301 /nfs/dbraw/zinc/57/13/01/349571301.db2.gz QGCGIEHBAACCMW-NWDGAFQWSA-N 2 2 271.386 0.829 20 0 CCADLP CCC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCSCC2)CC1 ZINC000343314458 534924124 /nfs/dbraw/zinc/92/41/24/534924124.db2.gz BDLAYQNKXUKQCM-ZDUSSCGKSA-N 2 2 285.457 0.978 20 0 CCADLP CC[C@]1(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)CCC[NH2+]1 ZINC000449657417 529387190 /nfs/dbraw/zinc/38/71/90/529387190.db2.gz OZPJOCQZQMAXBQ-ZYHUDNBSSA-N 2 2 275.343 0.880 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000423866148 529417224 /nfs/dbraw/zinc/41/72/24/529417224.db2.gz LCOYEDPMOGTIJC-AGIUHOORSA-N 2 2 293.415 0.609 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000418704222 529559321 /nfs/dbraw/zinc/55/93/21/529559321.db2.gz COBLLJJOZTWMSN-CYBMUJFWSA-N 2 2 291.399 0.959 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](Cc2cccnc2)CC1 ZINC000104067420 349707262 /nfs/dbraw/zinc/70/72/62/349707262.db2.gz VFVJIGHBTWBLGR-OAHLLOKOSA-N 2 2 288.395 0.996 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](Cc2cccnc2)CC1 ZINC000104067420 349707267 /nfs/dbraw/zinc/70/72/67/349707267.db2.gz VFVJIGHBTWBLGR-OAHLLOKOSA-N 2 2 288.395 0.996 20 0 CCADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCCCCC1 ZINC000107574224 349738758 /nfs/dbraw/zinc/73/87/58/349738758.db2.gz KOELXWAXZRZDKC-STQMWFEESA-N 2 2 251.374 0.540 20 0 CCADLP O=c1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)nc2sccn21 ZINC000107855226 349741638 /nfs/dbraw/zinc/74/16/38/349741638.db2.gz RJZMSGPYHLHBKH-UWVGGRQHSA-N 2 2 276.365 0.407 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000110916616 349765064 /nfs/dbraw/zinc/76/50/64/349765064.db2.gz OWIZJXCPLSRCRH-UHFFFAOYSA-N 2 2 294.399 0.844 20 0 CCADLP Cc1ccsc1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000110058074 349756260 /nfs/dbraw/zinc/75/62/60/349756260.db2.gz XKWDSVRQKIKPKZ-UHFFFAOYSA-N 2 2 267.398 0.920 20 0 CCADLP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cnn(C)c1 ZINC000358265257 529616977 /nfs/dbraw/zinc/61/69/77/529616977.db2.gz ZJUZPICVVJKZOJ-STQMWFEESA-N 2 2 252.362 0.527 20 0 CCADLP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cnn(C)c1 ZINC000358265257 529616980 /nfs/dbraw/zinc/61/69/80/529616980.db2.gz ZJUZPICVVJKZOJ-STQMWFEESA-N 2 2 252.362 0.527 20 0 CCADLP COC(=O)c1cnc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cn1 ZINC000600700872 362036457 /nfs/dbraw/zinc/03/64/57/362036457.db2.gz FLNYHSWHLYRPSS-UHFFFAOYSA-N 2 2 290.367 0.980 20 0 CCADLP COC(=O)c1cnc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cn1 ZINC000600700872 362036460 /nfs/dbraw/zinc/03/64/60/362036460.db2.gz FLNYHSWHLYRPSS-UHFFFAOYSA-N 2 2 290.367 0.980 20 0 CCADLP CC[C@@H]1C[N@H+](Cc2cnc(C(=O)OC)cn2)CC[C@@H]1[NH3+] ZINC000600711882 362041881 /nfs/dbraw/zinc/04/18/81/362041881.db2.gz TWPMYAGJJVIIGQ-PWSUYJOCSA-N 2 2 278.356 0.822 20 0 CCADLP CC[C@@H]1C[N@@H+](Cc2cnc(C(=O)OC)cn2)CC[C@@H]1[NH3+] ZINC000600711882 362041884 /nfs/dbraw/zinc/04/18/84/362041884.db2.gz TWPMYAGJJVIIGQ-PWSUYJOCSA-N 2 2 278.356 0.822 20 0 CCADLP Cc1cnc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)s1 ZINC000294979167 199281256 /nfs/dbraw/zinc/28/12/56/199281256.db2.gz GVNRKFLDVNEYMQ-UHFFFAOYSA-N 2 2 282.413 0.705 20 0 CCADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1c[nH+]cn1C(C)C ZINC000601144642 362156432 /nfs/dbraw/zinc/15/64/32/362156432.db2.gz BLEUARRNINXCTF-QWRGUYRKSA-N 2 2 296.371 0.620 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)[NH+](C)C ZINC000617730168 365740646 /nfs/dbraw/zinc/74/06/46/365740646.db2.gz KAOVTCQLXSVDHI-MCIONIFRSA-N 2 2 285.432 0.798 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)[NH+](C)C ZINC000617730168 365740652 /nfs/dbraw/zinc/74/06/52/365740652.db2.gz KAOVTCQLXSVDHI-MCIONIFRSA-N 2 2 285.432 0.798 20 0 CCADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCNc1cccc[nH+]1 ZINC000573483065 334940973 /nfs/dbraw/zinc/94/09/73/334940973.db2.gz IGERGJGMLUAOCZ-NWDGAFQWSA-N 2 2 262.357 0.998 20 0 CCADLP C[C@@H](C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)[NH+](C)C ZINC000617729617 365741480 /nfs/dbraw/zinc/74/14/80/365741480.db2.gz FVFNNJOCHHMZHA-TUAOUCFPSA-N 2 2 257.378 0.162 20 0 CCADLP C[C@@H](C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)[NH+](C)C ZINC000617729617 365741485 /nfs/dbraw/zinc/74/14/85/365741485.db2.gz FVFNNJOCHHMZHA-TUAOUCFPSA-N 2 2 257.378 0.162 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000601270626 362198064 /nfs/dbraw/zinc/19/80/64/362198064.db2.gz XAAGSDYBZXNADW-AWEZNQCLSA-N 2 2 298.431 0.444 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000601270626 362198067 /nfs/dbraw/zinc/19/80/67/362198067.db2.gz XAAGSDYBZXNADW-AWEZNQCLSA-N 2 2 298.431 0.444 20 0 CCADLP CCOC(=O)c1ncc(C[NH+]2CCC(O)(C[NH3+])CC2)s1 ZINC000601327079 362224247 /nfs/dbraw/zinc/22/42/47/362224247.db2.gz YUBRSYJPYQUZNJ-UHFFFAOYSA-N 2 2 299.396 0.605 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601333137 362229619 /nfs/dbraw/zinc/22/96/19/362229619.db2.gz AYYXDLLMMXDESQ-VXGBXAGGSA-N 2 2 282.388 0.296 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601333137 362229626 /nfs/dbraw/zinc/22/96/26/362229626.db2.gz AYYXDLLMMXDESQ-VXGBXAGGSA-N 2 2 282.388 0.296 20 0 CCADLP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113513526 349814212 /nfs/dbraw/zinc/81/42/12/349814212.db2.gz BIDXWWFHXMHEAQ-CYBMUJFWSA-N 2 2 253.390 0.738 20 0 CCADLP CN(CC1CC1)C(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113513526 349814213 /nfs/dbraw/zinc/81/42/13/349814213.db2.gz BIDXWWFHXMHEAQ-CYBMUJFWSA-N 2 2 253.390 0.738 20 0 CCADLP CC(C)[C@@H](O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617763936 365765675 /nfs/dbraw/zinc/76/56/75/365765675.db2.gz CBWNNOLPEOUNOD-GFCCVEGCSA-N 2 2 259.394 0.003 20 0 CCADLP CC(C)[C@@H](O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617763936 365765677 /nfs/dbraw/zinc/76/56/77/365765677.db2.gz CBWNNOLPEOUNOD-GFCCVEGCSA-N 2 2 259.394 0.003 20 0 CCADLP C[C@H]1C(=O)CC[C@@H]1CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764187 365767955 /nfs/dbraw/zinc/76/79/55/365767955.db2.gz MAUHFSNNCZVBAW-ZIAGYGMSSA-N 2 2 297.443 0.991 20 0 CCADLP C[C@H]1C(=O)CC[C@@H]1CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764187 365767962 /nfs/dbraw/zinc/76/79/62/365767962.db2.gz MAUHFSNNCZVBAW-ZIAGYGMSSA-N 2 2 297.443 0.991 20 0 CCADLP C[C@H]1CC(=O)CC[C@@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765984 365770805 /nfs/dbraw/zinc/77/08/05/365770805.db2.gz YIDXDWDPMPYUIT-ZFWWWQNUSA-N 2 2 297.443 0.991 20 0 CCADLP C[C@H]1CC(=O)CC[C@@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765984 365770810 /nfs/dbraw/zinc/77/08/10/365770810.db2.gz YIDXDWDPMPYUIT-ZFWWWQNUSA-N 2 2 297.443 0.991 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(C)COC1 ZINC000617764812 365769006 /nfs/dbraw/zinc/76/90/06/365769006.db2.gz HYDHAIOCPHIXOG-UHFFFAOYSA-N 2 2 257.378 0.023 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(C)COC1 ZINC000617764812 365769008 /nfs/dbraw/zinc/76/90/08/365769008.db2.gz HYDHAIOCPHIXOG-UHFFFAOYSA-N 2 2 257.378 0.023 20 0 CCADLP Cc1nnsc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617768675 365773198 /nfs/dbraw/zinc/77/31/98/365773198.db2.gz PLZZWKUQKZOYNM-UHFFFAOYSA-N 2 2 285.417 0.460 20 0 CCADLP Cc1nnsc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617768675 365773203 /nfs/dbraw/zinc/77/32/03/365773203.db2.gz PLZZWKUQKZOYNM-UHFFFAOYSA-N 2 2 285.417 0.460 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc[nH]1 ZINC000617768260 365773780 /nfs/dbraw/zinc/77/37/80/365773780.db2.gz WFMFIHAPHDBFID-UHFFFAOYSA-N 2 2 252.362 0.628 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc[nH]1 ZINC000617768260 365773785 /nfs/dbraw/zinc/77/37/85/365773785.db2.gz WFMFIHAPHDBFID-UHFFFAOYSA-N 2 2 252.362 0.628 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCSC1 ZINC000617765655 365770921 /nfs/dbraw/zinc/77/09/21/365770921.db2.gz LBEUPPOFQQRKTE-GFCCVEGCSA-N 2 2 273.446 0.739 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCSC1 ZINC000617765655 365770926 /nfs/dbraw/zinc/77/09/26/365770926.db2.gz LBEUPPOFQQRKTE-GFCCVEGCSA-N 2 2 273.446 0.739 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1cccc(O)c1 ZINC000617765220 365771413 /nfs/dbraw/zinc/77/14/13/365771413.db2.gz XUKAIBSEWIWZCN-UHFFFAOYSA-N 2 2 293.411 0.934 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1cccc(O)c1 ZINC000617765220 365771417 /nfs/dbraw/zinc/77/14/17/365771417.db2.gz XUKAIBSEWIWZCN-UHFFFAOYSA-N 2 2 293.411 0.934 20 0 CCADLP COc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)on1 ZINC000617765269 365771527 /nfs/dbraw/zinc/77/15/27/365771527.db2.gz ZEIATJJQPRVPBL-UHFFFAOYSA-N 2 2 284.360 0.297 20 0 CCADLP COc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)on1 ZINC000617765269 365771530 /nfs/dbraw/zinc/77/15/30/365771530.db2.gz ZEIATJJQPRVPBL-UHFFFAOYSA-N 2 2 284.360 0.297 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCCS1 ZINC000617766347 365771756 /nfs/dbraw/zinc/77/17/56/365771756.db2.gz HCSILWAGANQZNQ-LBPRGKRZSA-N 2 2 273.446 0.882 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCCS1 ZINC000617766347 365771760 /nfs/dbraw/zinc/77/17/60/365771760.db2.gz HCSILWAGANQZNQ-LBPRGKRZSA-N 2 2 273.446 0.882 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)C=Cc2c[nH]c[nH+]2)n1C ZINC000493585050 529808650 /nfs/dbraw/zinc/80/86/50/529808650.db2.gz NMCYXVNSLYKYMM-PLNGDYQASA-N 2 2 274.328 0.539 20 0 CCADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)C2([NH3+])CC2)C1 ZINC000423932198 529814831 /nfs/dbraw/zinc/81/48/31/529814831.db2.gz RYFDMIYNIRJSKT-LLVKDONJSA-N 2 2 290.367 0.619 20 0 CCADLP CN(CC[N@@H+]1CCCOCC1)C(C)(C)C[NH+]1CCOCC1 ZINC000412102994 529908737 /nfs/dbraw/zinc/90/87/37/529908737.db2.gz YEEYVPVJFQAXDG-UHFFFAOYSA-N 2 2 299.459 0.751 20 0 CCADLP CN(CC[N@H+]1CCCOCC1)C(C)(C)C[NH+]1CCOCC1 ZINC000412102994 529908739 /nfs/dbraw/zinc/90/87/39/529908739.db2.gz YEEYVPVJFQAXDG-UHFFFAOYSA-N 2 2 299.459 0.751 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000423738908 529911491 /nfs/dbraw/zinc/91/14/91/529911491.db2.gz FNZTXZSBLSQVMV-INIZCTEOSA-N 2 2 291.395 0.651 20 0 CCADLP CCN(CCC[NH+](C)C)C(=O)[C@H]1COCC[N@@H+]1C ZINC000338896350 214827923 /nfs/dbraw/zinc/82/79/23/214827923.db2.gz YLAHHZQLLAVREH-GFCCVEGCSA-N 2 2 257.378 0.117 20 0 CCADLP CCN(CCC[NH+](C)C)C(=O)[C@H]1COCC[N@H+]1C ZINC000338896350 214827925 /nfs/dbraw/zinc/82/79/25/214827925.db2.gz YLAHHZQLLAVREH-GFCCVEGCSA-N 2 2 257.378 0.117 20 0 CCADLP C[NH2+]CCCN(C)C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000424020790 529964041 /nfs/dbraw/zinc/96/40/41/529964041.db2.gz PTCWFKJXFQRROA-AWEZNQCLSA-N 2 2 283.416 0.555 20 0 CCADLP C[NH2+]CCCN(C)C(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000424020790 529964043 /nfs/dbraw/zinc/96/40/43/529964043.db2.gz PTCWFKJXFQRROA-AWEZNQCLSA-N 2 2 283.416 0.555 20 0 CCADLP COC[C@@](C)(CC(=O)OC)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000602016962 362457271 /nfs/dbraw/zinc/45/72/71/362457271.db2.gz KNIDCASBMRKYHY-YXMLORGKSA-N 2 2 256.346 0.296 20 0 CCADLP CCn1cc(C[N@H+](CCO)C2CC[NH+](C)CC2)cn1 ZINC000305230078 232011714 /nfs/dbraw/zinc/01/17/14/232011714.db2.gz XRLBFSVXLXUQMP-UHFFFAOYSA-N 2 2 266.389 0.792 20 0 CCADLP CCn1cc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cn1 ZINC000305230078 232011718 /nfs/dbraw/zinc/01/17/18/232011718.db2.gz XRLBFSVXLXUQMP-UHFFFAOYSA-N 2 2 266.389 0.792 20 0 CCADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000423190338 530033205 /nfs/dbraw/zinc/03/32/05/530033205.db2.gz NPQCZRIMDMZHHX-AAEUAGOBSA-N 2 2 297.424 0.997 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)CC1 ZINC000451367196 530068349 /nfs/dbraw/zinc/06/83/49/530068349.db2.gz JRWIKEZTGRFOII-DLTWYDFYSA-N 2 2 289.423 0.904 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)CC1 ZINC000451367196 530068350 /nfs/dbraw/zinc/06/83/50/530068350.db2.gz JRWIKEZTGRFOII-DLTWYDFYSA-N 2 2 289.423 0.904 20 0 CCADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)C3=CC[C@@H]([NH3+])C3)C2)CC1 ZINC000602506275 362649032 /nfs/dbraw/zinc/64/90/32/362649032.db2.gz MPRXWOQFGFFAJT-HUUCEWRRSA-N 2 2 292.427 0.272 20 0 CCADLP CC(C)[C@H](C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000343266513 535019818 /nfs/dbraw/zinc/01/98/18/535019818.db2.gz FHPMSPOMEYQSCT-OAGGEKHMSA-N 3 2 282.476 0.798 20 0 CCADLP CC(C)[C@H](C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000343266513 535019823 /nfs/dbraw/zinc/01/98/23/535019823.db2.gz FHPMSPOMEYQSCT-OAGGEKHMSA-N 3 2 282.476 0.798 20 0 CCADLP COCC[NH+]1CCC([NH2+]Cc2cc(C(=O)OC)no2)CC1 ZINC000602533305 362663546 /nfs/dbraw/zinc/66/35/46/362663546.db2.gz WHCBFWBXNBRHPV-UHFFFAOYSA-N 2 2 297.355 0.662 20 0 CCADLP COC(=O)c1cc(C[NH2+]C2(CCO)CC[NH+](C)CC2)on1 ZINC000602610695 362711265 /nfs/dbraw/zinc/71/12/65/362711265.db2.gz ISHFHPWUPLQVTQ-UHFFFAOYSA-N 2 2 297.355 0.398 20 0 CCADLP COC[C@]1(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])CCC[NH2+]1 ZINC000423411678 293295903 /nfs/dbraw/zinc/29/59/03/293295903.db2.gz GDTDNPHIHKXUTN-MELADBBJSA-N 3 2 255.406 0.862 20 0 CCADLP C[C@H]1CN(c2ccc(CNC(=O)CC[NH3+])c[nH+]2)CCO1 ZINC000237695420 136536149 /nfs/dbraw/zinc/53/61/49/136536149.db2.gz RIWWSFWVMXCKKQ-NSHDSACASA-N 2 2 278.356 0.272 20 0 CCADLP CC[C@@H](C(=O)NCC[NH+](C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000339236160 215033012 /nfs/dbraw/zinc/03/30/12/215033012.db2.gz RNMIDWLHQGQMCT-OLZOCXBDSA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@@H](C(=O)NCC[NH+](C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000339236160 215033013 /nfs/dbraw/zinc/03/30/13/215033013.db2.gz RNMIDWLHQGQMCT-OLZOCXBDSA-N 2 2 271.405 0.554 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000533744662 290800295 /nfs/dbraw/zinc/80/02/95/290800295.db2.gz SANAEVCKFONRBK-GFCCVEGCSA-N 2 2 288.355 0.816 20 0 CCADLP COC(=O)[C@](C)([NH2+]CCc1c[nH+]cn1C)C1CC1 ZINC000602795871 362804676 /nfs/dbraw/zinc/80/46/76/362804676.db2.gz BRTOOHQAPAEMLA-CYBMUJFWSA-N 2 2 251.330 0.894 20 0 CCADLP CN(C)c1nc(N2CC[NH+](CCC[NH3+])CC2)cc[nH+]1 ZINC000085435695 136794655 /nfs/dbraw/zinc/79/46/55/136794655.db2.gz RLZGSNOXQRZQGG-UHFFFAOYSA-N 3 2 264.377 0.013 20 0 CCADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261566514 137008876 /nfs/dbraw/zinc/00/88/76/137008876.db2.gz IFQRHRQCUYPZMO-XQQFMLRXSA-N 2 2 253.390 0.688 20 0 CCADLP CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261566514 137008877 /nfs/dbraw/zinc/00/88/77/137008877.db2.gz IFQRHRQCUYPZMO-XQQFMLRXSA-N 2 2 253.390 0.688 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000261641858 137013740 /nfs/dbraw/zinc/01/37/40/137013740.db2.gz DTIJWQXHOZJQSK-UHFFFAOYSA-N 2 2 293.415 0.819 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000261660771 137014278 /nfs/dbraw/zinc/01/42/78/137014278.db2.gz ZBVONABQVOQGEQ-MGPQQGTHSA-N 2 2 265.401 0.786 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000261660771 137014279 /nfs/dbraw/zinc/01/42/79/137014279.db2.gz ZBVONABQVOQGEQ-MGPQQGTHSA-N 2 2 265.401 0.786 20 0 CCADLP [NH3+][C@H](CC1CCCCC1)C(=O)NCC[NH+]1CCOCC1 ZINC000261660364 137014429 /nfs/dbraw/zinc/01/44/29/137014429.db2.gz FBEYFBXXFWTEFN-CQSZACIVSA-N 2 2 283.416 0.733 20 0 CCADLP Cn1ncnc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261757564 137018804 /nfs/dbraw/zinc/01/88/04/137018804.db2.gz NUGCAYQDWWMNBA-KGLIPLIRSA-N 2 2 271.368 0.989 20 0 CCADLP Cn1ncnc1C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261757564 137018805 /nfs/dbraw/zinc/01/88/05/137018805.db2.gz NUGCAYQDWWMNBA-KGLIPLIRSA-N 2 2 271.368 0.989 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)Cn1c[nH+]c2c1CCCC2 ZINC000618191366 365923028 /nfs/dbraw/zinc/92/30/28/365923028.db2.gz ABYBZGHRLPEJQL-UHFFFAOYSA-N 2 2 276.384 0.782 20 0 CCADLP Cn1ccnc1CN1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261911155 137025739 /nfs/dbraw/zinc/02/57/39/137025739.db2.gz YFHQANLIJVMVBB-OAHLLOKOSA-N 2 2 277.416 0.537 20 0 CCADLP COC[C@H]([NH3+])C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000262163932 137028744 /nfs/dbraw/zinc/02/87/44/137028744.db2.gz AFQJNEUTXCWGLX-NSHDSACASA-N 2 2 262.313 0.233 20 0 CCADLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cnn(C)c1 ZINC000310744253 137072513 /nfs/dbraw/zinc/07/25/13/137072513.db2.gz IHHFLKHCFGMWEM-YPMHNXCESA-N 2 2 252.362 0.527 20 0 CCADLP COCCN1CC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000328298621 137080045 /nfs/dbraw/zinc/08/00/45/137080045.db2.gz WWGFGHSBBUGCHF-RDBSUJKOSA-N 2 2 255.406 0.779 20 0 CCADLP COCCN1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000328298621 137080046 /nfs/dbraw/zinc/08/00/46/137080046.db2.gz WWGFGHSBBUGCHF-RDBSUJKOSA-N 2 2 255.406 0.779 20 0 CCADLP C[C@@H](C[NH2+]Cc1cncn1C)C[NH+]1CCOCC1 ZINC000120265327 349976875 /nfs/dbraw/zinc/97/68/75/349976875.db2.gz RDMQBGYIJUBMBW-LBPRGKRZSA-N 2 2 252.362 0.478 20 0 CCADLP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CC)C1 ZINC000342415910 137092726 /nfs/dbraw/zinc/09/27/26/137092726.db2.gz NZXVEXPPHWMVBS-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CC)C1 ZINC000342415910 137092727 /nfs/dbraw/zinc/09/27/27/137092727.db2.gz NZXVEXPPHWMVBS-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP Cn1cc(C[NH+]2CCN(C(=O)[C@@H]3CCC[NH2+]C3)CC2)cn1 ZINC000343509346 137139176 /nfs/dbraw/zinc/13/91/76/137139176.db2.gz IGQZWOACXISJIJ-CQSZACIVSA-N 2 2 291.399 0.064 20 0 CCADLP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC000684432742 545667843 /nfs/dbraw/zinc/66/78/43/545667843.db2.gz LRMLMKUOOQHIKJ-HIFRSBDPSA-N 2 2 295.427 0.840 20 0 CCADLP C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC000684432742 545667850 /nfs/dbraw/zinc/66/78/50/545667850.db2.gz LRMLMKUOOQHIKJ-HIFRSBDPSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC[C@@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000684432742 545667853 /nfs/dbraw/zinc/66/78/53/545667853.db2.gz LRMLMKUOOQHIKJ-HIFRSBDPSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC[C@@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000684432742 545667857 /nfs/dbraw/zinc/66/78/57/545667857.db2.gz LRMLMKUOOQHIKJ-HIFRSBDPSA-N 2 2 295.427 0.840 20 0 CCADLP COC(=O)C[N@H+](CCN1CC[NH+](C)CC1)C[C@H]1C[C@@H]1C ZINC000343628837 137146588 /nfs/dbraw/zinc/14/65/88/137146588.db2.gz XLYAVCJBJSRSGS-UONOGXRCSA-N 2 2 283.416 0.365 20 0 CCADLP COC(=O)C[N@@H+](CCN1CC[NH+](C)CC1)C[C@H]1C[C@@H]1C ZINC000343628837 137146589 /nfs/dbraw/zinc/14/65/89/137146589.db2.gz XLYAVCJBJSRSGS-UONOGXRCSA-N 2 2 283.416 0.365 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NC[C@H]2CN(C)CC[NH+]2C)CCC[N@@H+]1C ZINC000343840076 137160735 /nfs/dbraw/zinc/16/07/35/137160735.db2.gz REVSMLLPWFZRFN-HZSPNIEDSA-N 2 2 297.447 0.014 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NC[C@H]2CN(C)CC[NH+]2C)CCC[N@H+]1C ZINC000343840076 137160736 /nfs/dbraw/zinc/16/07/36/137160736.db2.gz REVSMLLPWFZRFN-HZSPNIEDSA-N 2 2 297.447 0.014 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)CCC[NH+]1C ZINC000343840076 137160737 /nfs/dbraw/zinc/16/07/37/137160737.db2.gz REVSMLLPWFZRFN-HZSPNIEDSA-N 2 2 297.447 0.014 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)CCC[NH+]1C ZINC000343840076 137160738 /nfs/dbraw/zinc/16/07/38/137160738.db2.gz REVSMLLPWFZRFN-HZSPNIEDSA-N 2 2 297.447 0.014 20 0 CCADLP CCO[C@@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C12CCC2 ZINC000344026042 137173929 /nfs/dbraw/zinc/17/39/29/137173929.db2.gz SUUOPGAWBWDEAD-ZIAGYGMSSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000343296459 137125787 /nfs/dbraw/zinc/12/57/87/137125787.db2.gz YVURPDRGUSBOCO-ZFWWWQNUSA-N 3 2 268.449 0.552 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000343296459 137125788 /nfs/dbraw/zinc/12/57/88/137125788.db2.gz YVURPDRGUSBOCO-ZFWWWQNUSA-N 3 2 268.449 0.552 20 0 CCADLP O=C1C[C@@]2(CN1)CCC[N@H+](CCCn1cc[nH+]c1)C2 ZINC000343306569 137126696 /nfs/dbraw/zinc/12/66/96/137126696.db2.gz VQHNZMZUEKYKTK-CQSZACIVSA-N 2 2 262.357 0.875 20 0 CCADLP O=C1C[C@@]2(CN1)CCC[N@@H+](CCCn1cc[nH+]c1)C2 ZINC000343306569 137126697 /nfs/dbraw/zinc/12/66/97/137126697.db2.gz VQHNZMZUEKYKTK-CQSZACIVSA-N 2 2 262.357 0.875 20 0 CCADLP C[NH+]1CCC(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000343349041 137129924 /nfs/dbraw/zinc/12/99/24/137129924.db2.gz XXFPGMZWNZTZBK-ZDUSSCGKSA-N 2 2 276.384 0.904 20 0 CCADLP CC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C1CCOCC1 ZINC000343396146 137132365 /nfs/dbraw/zinc/13/23/65/137132365.db2.gz DRGYUTQWENUYIR-AWEZNQCLSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000344227337 137184844 /nfs/dbraw/zinc/18/48/44/137184844.db2.gz STKRVVRJGZGRRL-HOCLYGCPSA-N 3 2 282.476 0.800 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000344227337 137184845 /nfs/dbraw/zinc/18/48/45/137184845.db2.gz STKRVVRJGZGRRL-HOCLYGCPSA-N 3 2 282.476 0.800 20 0 CCADLP C[NH2+]CC(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000040824612 348243531 /nfs/dbraw/zinc/24/35/31/348243531.db2.gz OFWYUIQYEJQWJV-LBPRGKRZSA-N 2 2 257.378 0.069 20 0 CCADLP COC[C@H](C)[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000345203585 137239398 /nfs/dbraw/zinc/23/93/98/137239398.db2.gz JBWREBYELMRVOI-AWEZNQCLSA-N 2 2 273.421 0.001 20 0 CCADLP [NH3+][C@H](CC(F)F)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000345712409 137247256 /nfs/dbraw/zinc/24/72/56/137247256.db2.gz KXAJQDYXFXXDPR-SECBINFHSA-N 2 2 268.267 0.933 20 0 CCADLP C[NH+](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000346320600 137278881 /nfs/dbraw/zinc/27/88/81/137278881.db2.gz VYNXLSDLEHWQJT-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP O=C(CC[C@H]1CCC[NH2+]C1)NCCn1cc[nH+]c1 ZINC000043591345 348311896 /nfs/dbraw/zinc/31/18/96/348311896.db2.gz GLCAQXZBNMSQRK-GFCCVEGCSA-N 2 2 250.346 0.779 20 0 CCADLP C[C@@H](CO)[N@@H+]1CCCN(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000346682740 137299189 /nfs/dbraw/zinc/29/91/89/137299189.db2.gz PMZVWTJYGIEKPY-HRCADAONSA-N 2 2 297.443 0.238 20 0 CCADLP C[C@@H](CO)[N@H+]1CCCN(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000346682740 137299190 /nfs/dbraw/zinc/29/91/90/137299190.db2.gz PMZVWTJYGIEKPY-HRCADAONSA-N 2 2 297.443 0.238 20 0 CCADLP C[C@@H](CO)[NH+]1CCCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000346682740 137299191 /nfs/dbraw/zinc/29/91/91/137299191.db2.gz PMZVWTJYGIEKPY-HRCADAONSA-N 2 2 297.443 0.238 20 0 CCADLP C[C@@H](CO)[NH+]1CCCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000346682740 137299192 /nfs/dbraw/zinc/29/91/92/137299192.db2.gz PMZVWTJYGIEKPY-HRCADAONSA-N 2 2 297.443 0.238 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000346161867 137270653 /nfs/dbraw/zinc/27/06/53/137270653.db2.gz NFVNLDMWIHKEDU-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH+]1CCN(C)CC1 ZINC000346956073 137313287 /nfs/dbraw/zinc/31/32/87/137313287.db2.gz BCUDKCCUUXAVEO-AWEZNQCLSA-N 2 2 296.459 0.470 20 0 CCADLP COC(=O)[C@]1(C)C[C@@H](OC)C[N@@H+]1CCc1c[nH+]cn1C ZINC000602934595 362896800 /nfs/dbraw/zinc/89/68/00/362896800.db2.gz HRXPRXKXUGIPGJ-OCCSQVGLSA-N 2 2 281.356 0.615 20 0 CCADLP COC(=O)[C@]1(C)C[C@@H](OC)C[N@H+]1CCc1c[nH+]cn1C ZINC000602934595 362896803 /nfs/dbraw/zinc/89/68/03/362896803.db2.gz HRXPRXKXUGIPGJ-OCCSQVGLSA-N 2 2 281.356 0.615 20 0 CCADLP CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000349380742 137392930 /nfs/dbraw/zinc/39/29/30/137392930.db2.gz GRWRAURIBWSVPJ-UKRRQHHQSA-N 2 2 288.395 0.998 20 0 CCADLP O[C@@H](C[NH2+]CCn1cc[nH+]c1)COc1ccccc1 ZINC000049077181 348438774 /nfs/dbraw/zinc/43/87/74/348438774.db2.gz UPDKQJJOVYYZJQ-ZDUSSCGKSA-N 2 2 261.325 0.913 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)CC1 ZINC000347802681 137357911 /nfs/dbraw/zinc/35/79/11/137357911.db2.gz XGZOBVSEBFYKJH-KBPBESRZSA-N 2 2 297.443 0.489 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)CC1 ZINC000347802681 137357912 /nfs/dbraw/zinc/35/79/12/137357912.db2.gz XGZOBVSEBFYKJH-KBPBESRZSA-N 2 2 297.443 0.489 20 0 CCADLP CC(C)c1nc(NC[C@H]2CC[N@H+](C)C2)nc(N(C)C)[nH+]1 ZINC000347874663 137361914 /nfs/dbraw/zinc/36/19/14/137361914.db2.gz LDOCNORBJFZUDI-LLVKDONJSA-N 2 2 278.404 0.847 20 0 CCADLP CC(C)c1nc(NC[C@H]2CC[N@@H+](C)C2)nc(N(C)C)[nH+]1 ZINC000347874663 137361915 /nfs/dbraw/zinc/36/19/15/137361915.db2.gz LDOCNORBJFZUDI-LLVKDONJSA-N 2 2 278.404 0.847 20 0 CCADLP COCC[NH+]1CCC([NH2+]Cc2ncccc2O)CC1 ZINC000347900310 137363100 /nfs/dbraw/zinc/36/31/00/137363100.db2.gz JROBNTUWRSVJMQ-UHFFFAOYSA-N 2 2 265.357 0.988 20 0 CCADLP CN(C(=O)CCn1cc[nH+]c1)[C@H]1C[NH+]2CCC1CC2 ZINC000347956857 137365728 /nfs/dbraw/zinc/36/57/28/137365728.db2.gz UISYYWDUFVGXEM-ZDUSSCGKSA-N 2 2 262.357 0.826 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C2CCOCC2)CC1 ZINC000348951962 137381268 /nfs/dbraw/zinc/38/12/68/137381268.db2.gz UBKOMSYGVIJGHQ-HNNXBMFYSA-N 2 2 295.427 0.651 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2C2CCOCC2)CC1 ZINC000348951962 137381269 /nfs/dbraw/zinc/38/12/69/137381269.db2.gz UBKOMSYGVIJGHQ-HNNXBMFYSA-N 2 2 295.427 0.651 20 0 CCADLP O=C(CCOC1C[NH2+]C1)NCCCNc1cccc[nH+]1 ZINC000349001693 137383571 /nfs/dbraw/zinc/38/35/71/137383571.db2.gz OQFPRPHQCFDGNK-UHFFFAOYSA-N 2 2 278.356 0.378 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+](CCO)C2CCCCC2)CC1 ZINC000049855987 348460414 /nfs/dbraw/zinc/46/04/14/348460414.db2.gz OBEBEDJEEHDSHZ-UHFFFAOYSA-N 2 2 283.416 0.387 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+](CCO)C2CCCCC2)CC1 ZINC000049855987 348460417 /nfs/dbraw/zinc/46/04/17/348460417.db2.gz OBEBEDJEEHDSHZ-UHFFFAOYSA-N 2 2 283.416 0.387 20 0 CCADLP C[C@H](C[NH3+])C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000054344849 348553386 /nfs/dbraw/zinc/55/33/86/348553386.db2.gz VFSRWYIHNHZPEN-LLVKDONJSA-N 2 2 278.356 0.129 20 0 CCADLP CC(C)[C@@H](C[NH2+]Cc1cn(C)nn1)N1CC[NH+](C)CC1 ZINC000054860859 348565160 /nfs/dbraw/zinc/56/51/60/348565160.db2.gz GJLKDFHGFSBOQH-CQSZACIVSA-N 2 2 280.420 0.177 20 0 CCADLP [NH3+]C[C@H](C(=O)N1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000062252331 348666861 /nfs/dbraw/zinc/66/68/61/348666861.db2.gz DWHKIGOKXFMGPY-ZDUSSCGKSA-N 2 2 270.336 0.968 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976703 348674567 /nfs/dbraw/zinc/67/45/67/348674567.db2.gz QTJBUJXDJAPFPI-STQMWFEESA-N 2 2 269.389 0.293 20 0 CCADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2nc(C3CC3)no2)C1 ZINC000063179742 348681203 /nfs/dbraw/zinc/68/12/03/348681203.db2.gz XQKCGCOOXFBBBC-LLVKDONJSA-N 2 2 293.371 0.234 20 0 CCADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2nc(C3CC3)no2)C1 ZINC000063179742 348681208 /nfs/dbraw/zinc/68/12/08/348681208.db2.gz XQKCGCOOXFBBBC-LLVKDONJSA-N 2 2 293.371 0.234 20 0 CCADLP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C(=O)N(C)C ZINC000070143039 348873595 /nfs/dbraw/zinc/87/35/95/348873595.db2.gz ZIJKHXMGOCWLFZ-SECBINFHSA-N 2 2 253.350 0.052 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070149945 348873614 /nfs/dbraw/zinc/87/36/14/348873614.db2.gz JHBMIHNPSPMCQN-GFCCVEGCSA-N 2 2 284.404 0.672 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070149945 348873616 /nfs/dbraw/zinc/87/36/16/348873616.db2.gz JHBMIHNPSPMCQN-GFCCVEGCSA-N 2 2 284.404 0.672 20 0 CCADLP CC(C)(CNC(=O)CCCC[NH3+])[NH+]1CCOCC1 ZINC000070203140 348879399 /nfs/dbraw/zinc/87/93/99/348879399.db2.gz TWBBYXRCRUYBSM-UHFFFAOYSA-N 2 2 257.378 0.342 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCCCCn2cc[nH+]c2C)C1 ZINC000073958401 348966500 /nfs/dbraw/zinc/96/65/00/348966500.db2.gz UTMQLCBLKBJNDK-CQSZACIVSA-N 2 2 294.399 0.809 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NCCCCn2cc[nH+]c2C)C1 ZINC000073958401 348966503 /nfs/dbraw/zinc/96/65/03/348966503.db2.gz UTMQLCBLKBJNDK-CQSZACIVSA-N 2 2 294.399 0.809 20 0 CCADLP C[NH2+]CC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000082256486 349292891 /nfs/dbraw/zinc/29/28/91/349292891.db2.gz ZDRWLXVHXLVECO-CYBMUJFWSA-N 2 2 276.315 0.984 20 0 CCADLP Cc1cccc(NCCNC(=O)[C@@H]2C[N@H+](C)CCO2)[nH+]1 ZINC000081466329 349268069 /nfs/dbraw/zinc/26/80/69/349268069.db2.gz IUTSMVWVWVTTQC-LBPRGKRZSA-N 2 2 278.356 0.249 20 0 CCADLP Cc1cccc(NCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)[nH+]1 ZINC000081466329 349268071 /nfs/dbraw/zinc/26/80/71/349268071.db2.gz IUTSMVWVWVTTQC-LBPRGKRZSA-N 2 2 278.356 0.249 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081631604 349278702 /nfs/dbraw/zinc/27/87/02/349278702.db2.gz IVGPZHIJKKCNPS-CYBMUJFWSA-N 2 2 296.415 0.496 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081631604 349278707 /nfs/dbraw/zinc/27/87/07/349278707.db2.gz IVGPZHIJKKCNPS-CYBMUJFWSA-N 2 2 296.415 0.496 20 0 CCADLP CCNC(=O)NC(=O)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081631604 349278709 /nfs/dbraw/zinc/27/87/09/349278709.db2.gz IVGPZHIJKKCNPS-CYBMUJFWSA-N 2 2 296.415 0.496 20 0 CCADLP CCNC(=O)NC(=O)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081631604 349278712 /nfs/dbraw/zinc/27/87/12/349278712.db2.gz IVGPZHIJKKCNPS-CYBMUJFWSA-N 2 2 296.415 0.496 20 0 CCADLP CC(C)[C@@H](C[NH3+])C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000087531094 349351399 /nfs/dbraw/zinc/35/13/99/349351399.db2.gz HKVBRITYMONIPI-GFCCVEGCSA-N 2 2 271.405 0.444 20 0 CCADLP C[NH+](C)CCN(Cc1ccco1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000088229955 349359181 /nfs/dbraw/zinc/35/91/81/349359181.db2.gz FYAYUBWUPDFRPK-CQSZACIVSA-N 2 2 295.383 0.500 20 0 CCADLP C[NH+](C)CCN(Cc1ccco1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000088229955 349359185 /nfs/dbraw/zinc/35/91/85/349359185.db2.gz FYAYUBWUPDFRPK-CQSZACIVSA-N 2 2 295.383 0.500 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCOC[C@H]2C2CC2)CC1 ZINC000090008099 349419452 /nfs/dbraw/zinc/41/94/52/349419452.db2.gz HKKIYGXJKRQKDF-HNNXBMFYSA-N 2 2 295.427 0.698 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCOC[C@H]2C2CC2)CC1 ZINC000090008099 349419454 /nfs/dbraw/zinc/41/94/54/349419454.db2.gz HKKIYGXJKRQKDF-HNNXBMFYSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@@H+]1CCN(C(=O)/C=C/c2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000124334358 350095377 /nfs/dbraw/zinc/09/53/77/350095377.db2.gz QLOUQVALYLQVRO-GBXSZLQWSA-N 2 2 277.343 0.940 20 0 CCADLP C[N@H+]1CCN(C(=O)/C=C/c2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000124334358 350095380 /nfs/dbraw/zinc/09/53/80/350095380.db2.gz QLOUQVALYLQVRO-GBXSZLQWSA-N 2 2 277.343 0.940 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124356323 350096730 /nfs/dbraw/zinc/09/67/30/350096730.db2.gz ZFFNDJODBJTBFC-LLVKDONJSA-N 2 2 281.360 0.439 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)c1csc(C[NH3+])n1 ZINC000090930403 180063781 /nfs/dbraw/zinc/06/37/81/180063781.db2.gz RALHXCCQFDRKCS-SECBINFHSA-N 2 2 284.385 0.052 20 0 CCADLP CC[C@@H](C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1)[NH+](C)C ZINC000126554618 350149576 /nfs/dbraw/zinc/14/95/76/350149576.db2.gz KUMFVTRCABHYEQ-LSDHHAIUSA-N 2 2 298.475 0.715 20 0 CCADLP CC(C)[NH+](CCNC(=O)[C@H](C)[NH+]1CCOCC1)C(C)C ZINC000339700288 215303529 /nfs/dbraw/zinc/30/35/29/215303529.db2.gz GCMIMLFSVDESHV-AWEZNQCLSA-N 2 2 285.432 0.942 20 0 CCADLP O=C(C[C@H]1CSCC[NH2+]1)NCCn1cc[nH+]c1 ZINC000091138477 180105830 /nfs/dbraw/zinc/10/58/30/180105830.db2.gz KHGRCKBGEHQDHW-JTQLQIEISA-N 2 2 254.359 0.094 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N2CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000271307456 191064330 /nfs/dbraw/zinc/06/43/30/191064330.db2.gz QJWILYRUPHUMPZ-STQMWFEESA-N 2 2 262.357 0.998 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000271307456 191064331 /nfs/dbraw/zinc/06/43/31/191064331.db2.gz QJWILYRUPHUMPZ-STQMWFEESA-N 2 2 262.357 0.998 20 0 CCADLP C[C@@H](NC(=O)NC1CC[NH+](C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000105079663 186040411 /nfs/dbraw/zinc/04/04/11/186040411.db2.gz MQVWTOXSPKYPJB-OLZOCXBDSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000105130141 186043569 /nfs/dbraw/zinc/04/35/69/186043569.db2.gz OGIPGEXUJPAXMS-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000105192035 186045370 /nfs/dbraw/zinc/04/53/70/186045370.db2.gz NEJUPSQPWYOHGS-CYBMUJFWSA-N 2 2 284.404 0.054 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000105192035 186045372 /nfs/dbraw/zinc/04/53/72/186045372.db2.gz NEJUPSQPWYOHGS-CYBMUJFWSA-N 2 2 284.404 0.054 20 0 CCADLP COc1cc(C[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)ccn1 ZINC000133988302 350351016 /nfs/dbraw/zinc/35/10/16/350351016.db2.gz GJBWWHFQRSANME-AAEUAGOBSA-N 2 2 265.357 0.947 20 0 CCADLP CC(=O)NCCC[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000105930123 186092040 /nfs/dbraw/zinc/09/20/40/186092040.db2.gz IIHUDNNSVSMZDZ-UHFFFAOYSA-N 2 2 279.388 0.064 20 0 CCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCCn1cc[nH+]c1 ZINC000154921136 350604432 /nfs/dbraw/zinc/60/44/32/350604432.db2.gz VEVSEVUUZKVLTG-ZDUSSCGKSA-N 2 2 279.388 0.865 20 0 CCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCCn1cc[nH+]c1 ZINC000154921136 350604434 /nfs/dbraw/zinc/60/44/34/350604434.db2.gz VEVSEVUUZKVLTG-ZDUSSCGKSA-N 2 2 279.388 0.865 20 0 CCADLP CC(C)[NH2+]C1CC[NH+](CCCN2C(=O)CNC2=O)CC1 ZINC000108372237 186214378 /nfs/dbraw/zinc/21/43/78/186214378.db2.gz NTWMKMYAMLUXSX-UHFFFAOYSA-N 2 2 282.388 0.391 20 0 CCADLP COC[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000155365198 350617910 /nfs/dbraw/zinc/61/79/10/350617910.db2.gz QVNCUVQJLVIXEA-QWHCGFSZSA-N 2 2 271.405 0.554 20 0 CCADLP COC[C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000155365198 350617915 /nfs/dbraw/zinc/61/79/15/350617915.db2.gz QVNCUVQJLVIXEA-QWHCGFSZSA-N 2 2 271.405 0.554 20 0 CCADLP NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000157535614 350646239 /nfs/dbraw/zinc/64/62/39/350646239.db2.gz ZBCDCYYIJUJDFR-GHMZBOCLSA-N 2 2 299.396 0.643 20 0 CCADLP NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)o1 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ZINC000604207921 363182489 /nfs/dbraw/zinc/18/24/89/363182489.db2.gz AWZGFLDBQNZTNV-LBPRGKRZSA-N 2 2 268.405 0.816 20 0 CCADLP CCN(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604207921 363182492 /nfs/dbraw/zinc/18/24/92/363182492.db2.gz AWZGFLDBQNZTNV-LBPRGKRZSA-N 2 2 268.405 0.816 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)[C@H]2CSC[NH2+]2)C[N@@H+]1C1CC1 ZINC000246193548 352353684 /nfs/dbraw/zinc/35/36/84/352353684.db2.gz DHPXBLOIYBFSIC-WCABBAIRSA-N 2 2 255.387 0.390 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)[C@H]2CSC[NH2+]2)C[N@H+]1C1CC1 ZINC000246193548 352353686 /nfs/dbraw/zinc/35/36/86/352353686.db2.gz DHPXBLOIYBFSIC-WCABBAIRSA-N 2 2 255.387 0.390 20 0 CCADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NC(=O)NC)C1 ZINC000245442270 352323204 /nfs/dbraw/zinc/32/32/04/352323204.db2.gz WEKRJZFDJLUVOJ-VXGBXAGGSA-N 2 2 284.404 0.494 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NC(=O)NC)C1 ZINC000245442270 352323206 /nfs/dbraw/zinc/32/32/06/352323206.db2.gz WEKRJZFDJLUVOJ-VXGBXAGGSA-N 2 2 284.404 0.494 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)NC)C1 ZINC000245442270 352323208 /nfs/dbraw/zinc/32/32/08/352323208.db2.gz WEKRJZFDJLUVOJ-VXGBXAGGSA-N 2 2 284.404 0.494 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)NC)C1 ZINC000245442270 352323209 /nfs/dbraw/zinc/32/32/09/352323209.db2.gz WEKRJZFDJLUVOJ-VXGBXAGGSA-N 2 2 284.404 0.494 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246397153 352364643 /nfs/dbraw/zinc/36/46/43/352364643.db2.gz QBLGAEHCWTZGNU-OLZOCXBDSA-N 2 2 298.431 0.740 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246397153 352364647 /nfs/dbraw/zinc/36/46/47/352364647.db2.gz QBLGAEHCWTZGNU-OLZOCXBDSA-N 2 2 298.431 0.740 20 0 CCADLP C[C@@H](NC(=O)[C@@H](C)[C@H](C)[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000249123247 352479370 /nfs/dbraw/zinc/47/93/70/352479370.db2.gz XDEMWIRZFHHSQE-YFKTTZPYSA-N 2 2 257.378 0.195 20 0 CCADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)C1 ZINC000261602501 352562392 /nfs/dbraw/zinc/56/23/92/352562392.db2.gz AKVFPMGNQOBAFS-IJEWVQPXSA-N 2 2 295.427 0.827 20 0 CCADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)C1 ZINC000261602501 352562394 /nfs/dbraw/zinc/56/23/94/352562394.db2.gz AKVFPMGNQOBAFS-IJEWVQPXSA-N 2 2 295.427 0.827 20 0 CCADLP C[N@H+](CCO)C1CC[NH+](Cc2cnc(N)s2)CC1 ZINC000262040936 352572687 /nfs/dbraw/zinc/57/26/87/352572687.db2.gz PAUGKJGQRCYALY-UHFFFAOYSA-N 2 2 270.402 0.614 20 0 CCADLP C[N@@H+](CCO)C1CC[NH+](Cc2cnc(N)s2)CC1 ZINC000262040936 352572690 /nfs/dbraw/zinc/57/26/90/352572690.db2.gz PAUGKJGQRCYALY-UHFFFAOYSA-N 2 2 270.402 0.614 20 0 CCADLP COCc1nc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cs1 ZINC000262101052 352577400 /nfs/dbraw/zinc/57/74/00/352577400.db2.gz IUBBNYALQFQLDG-CYBMUJFWSA-N 2 2 296.440 0.769 20 0 CCADLP COCc1nc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cs1 ZINC000262101052 352577403 /nfs/dbraw/zinc/57/74/03/352577403.db2.gz IUBBNYALQFQLDG-CYBMUJFWSA-N 2 2 296.440 0.769 20 0 CCADLP C[C@H](C[NH3+])NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000418514895 234149408 /nfs/dbraw/zinc/14/94/08/234149408.db2.gz PGWLKKQYFZUPAV-LLVKDONJSA-N 2 2 263.345 0.260 20 0 CCADLP O=C1CCC(=O)N1CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266778743 352718952 /nfs/dbraw/zinc/71/89/52/352718952.db2.gz URJLZDMBORVUST-UHFFFAOYSA-N 2 2 276.340 0.738 20 0 CCADLP Cc1[nH+]ccn1CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC000555227914 290967882 /nfs/dbraw/zinc/96/78/82/290967882.db2.gz NFTDDPPJCHCEPB-UHFFFAOYSA-N 2 2 261.329 0.937 20 0 CCADLP C[C@H](CC[NH3+])NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000418526455 234154066 /nfs/dbraw/zinc/15/40/66/234154066.db2.gz NBUKLEVIVCJIHJ-GFCCVEGCSA-N 2 2 277.372 0.651 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266949880 352735675 /nfs/dbraw/zinc/73/56/75/352735675.db2.gz TYNCJASMINIJNU-NXEZZACHSA-N 2 2 279.344 0.433 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266949880 352735677 /nfs/dbraw/zinc/73/56/77/352735677.db2.gz TYNCJASMINIJNU-NXEZZACHSA-N 2 2 279.344 0.433 20 0 CCADLP C[C@@H](C(=O)Nc1cc[nH+]c(N(C)C)c1)N1CC[NH+](C)CC1 ZINC000267264112 352755387 /nfs/dbraw/zinc/75/53/87/352755387.db2.gz QUQBMLQZOGEJQN-LBPRGKRZSA-N 2 2 291.399 0.722 20 0 CCADLP O=C(NCCCCNc1cccc[nH+]1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418669851 234203958 /nfs/dbraw/zinc/20/39/58/234203958.db2.gz KGXYWVLFYPWUAI-IMRBUKKESA-N 2 2 289.383 0.791 20 0 CCADLP CCOC(=O)C1(O)CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000270818980 352990434 /nfs/dbraw/zinc/99/04/34/352990434.db2.gz ATHIXVPWXLHVTK-UHFFFAOYSA-N 2 2 267.329 0.273 20 0 CCADLP CC[C@@H](C)NC(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000270556493 352947703 /nfs/dbraw/zinc/94/77/03/352947703.db2.gz VYGSPKOMTXAUKP-GFCCVEGCSA-N 2 2 279.388 0.457 20 0 CCADLP CC[N@H+](CCCn1cc[nH+]c1C)CCS(C)(=O)=O ZINC000270595772 352953311 /nfs/dbraw/zinc/95/33/11/352953311.db2.gz GARDNCJDAKECCK-UHFFFAOYSA-N 2 2 273.402 0.948 20 0 CCADLP CC[N@@H+](CCCn1cc[nH+]c1C)CCS(C)(=O)=O ZINC000270595772 352953321 /nfs/dbraw/zinc/95/33/21/352953321.db2.gz GARDNCJDAKECCK-UHFFFAOYSA-N 2 2 273.402 0.948 20 0 CCADLP COCC[N@H+](CCn1cc[nH+]c1C)CC(=O)N(C)C ZINC000270658579 352964346 /nfs/dbraw/zinc/96/43/46/352964346.db2.gz ODBHYRDQGUWLCG-UHFFFAOYSA-N 2 2 268.361 0.228 20 0 CCADLP COCC[N@@H+](CCn1cc[nH+]c1C)CC(=O)N(C)C ZINC000270658579 352964349 /nfs/dbraw/zinc/96/43/49/352964349.db2.gz ODBHYRDQGUWLCG-UHFFFAOYSA-N 2 2 268.361 0.228 20 0 CCADLP Cn1ccc(C[N@H+](CCO)C2CC[NH+](C)CC2)c1 ZINC000271023858 353015172 /nfs/dbraw/zinc/01/51/72/353015172.db2.gz VHEDQUDAMMCLBS-UHFFFAOYSA-N 2 2 251.374 0.914 20 0 CCADLP Cn1ccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)c1 ZINC000271023858 353015176 /nfs/dbraw/zinc/01/51/76/353015176.db2.gz VHEDQUDAMMCLBS-UHFFFAOYSA-N 2 2 251.374 0.914 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000270854930 352995999 /nfs/dbraw/zinc/99/59/99/352995999.db2.gz IXYSGZADKOYANP-CYBMUJFWSA-N 2 2 262.357 0.888 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000270854930 352996002 /nfs/dbraw/zinc/99/60/02/352996002.db2.gz IXYSGZADKOYANP-CYBMUJFWSA-N 2 2 262.357 0.888 20 0 CCADLP CCC[C@@H]([NH3+])C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000272434461 353064498 /nfs/dbraw/zinc/06/44/98/353064498.db2.gz JYCVITLZYXTSLR-LLVKDONJSA-N 2 2 250.346 0.963 20 0 CCADLP CC(C)(CNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2)[NH+]1CCOCC1 ZINC000655442046 412571605 /nfs/dbraw/zinc/57/16/05/412571605.db2.gz AMEPGDKPWMXSOF-BBRMVZONSA-N 2 2 295.427 0.603 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2cncnc2)CC1 ZINC000274304985 353118672 /nfs/dbraw/zinc/11/86/72/353118672.db2.gz COXAQOXKIAPDLI-UHFFFAOYSA-N 2 2 292.387 0.624 20 0 CCADLP C[C@@H](C[NH3+])NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000276933322 353211612 /nfs/dbraw/zinc/21/16/12/353211612.db2.gz AVQDRCLYTJPRIR-LBPRGKRZSA-N 2 2 277.368 0.596 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000278281511 353291580 /nfs/dbraw/zinc/29/15/80/353291580.db2.gz QAAFOHOZSSCGHQ-NSHDSACASA-N 2 2 266.345 0.128 20 0 CCADLP COCC[N@H+](C)CCNC(=O)CCc1c[nH+]cn1C ZINC000280292840 353353294 /nfs/dbraw/zinc/35/32/94/353353294.db2.gz OIOYOZSTOKTUGE-UHFFFAOYSA-N 2 2 268.361 0.047 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)CCc1c[nH+]cn1C ZINC000280292840 353353297 /nfs/dbraw/zinc/35/32/97/353353297.db2.gz OIOYOZSTOKTUGE-UHFFFAOYSA-N 2 2 268.361 0.047 20 0 CCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000655452175 412577444 /nfs/dbraw/zinc/57/74/44/412577444.db2.gz DZLBJJWTWRICQZ-SWLSCSKDSA-N 2 2 274.368 0.658 20 0 CCADLP CC[NH+](CC)CCNC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000280780065 353383084 /nfs/dbraw/zinc/38/30/84/353383084.db2.gz NGLCWHWQCZZTHH-ZDUSSCGKSA-N 2 2 281.404 0.481 20 0 CCADLP COC(=O)[C@H]1C[N@H+](CCCn2cc[nH+]c2C)C[C@@H](C)O1 ZINC000282388123 353419313 /nfs/dbraw/zinc/41/93/13/353419313.db2.gz GOXYWIWMQSDWSY-DGCLKSJQSA-N 2 2 281.356 0.844 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](CCCn2cc[nH+]c2C)C[C@@H](C)O1 ZINC000282388123 353419317 /nfs/dbraw/zinc/41/93/17/353419317.db2.gz GOXYWIWMQSDWSY-DGCLKSJQSA-N 2 2 281.356 0.844 20 0 CCADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(=O)[nH]n1 ZINC000286183782 353567066 /nfs/dbraw/zinc/56/70/66/353567066.db2.gz QYEDOLBEJRDOHD-GBIKHYSHSA-N 2 2 262.357 0.903 20 0 CCADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(=O)[nH]n1 ZINC000286183782 353567068 /nfs/dbraw/zinc/56/70/68/353567068.db2.gz QYEDOLBEJRDOHD-GBIKHYSHSA-N 2 2 262.357 0.903 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC[NH2+]1 ZINC000655458486 412581158 /nfs/dbraw/zinc/58/11/58/412581158.db2.gz QCFWOHSONRLPEA-GRYCIOLGSA-N 2 2 262.357 0.702 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCCn1cc[nH+]c1 ZINC000290431441 353726539 /nfs/dbraw/zinc/72/65/39/353726539.db2.gz BAWLXTWJRBIRCX-GFCCVEGCSA-N 2 2 267.377 0.911 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCCn1cc[nH+]c1 ZINC000290431441 353726542 /nfs/dbraw/zinc/72/65/42/353726542.db2.gz BAWLXTWJRBIRCX-GFCCVEGCSA-N 2 2 267.377 0.911 20 0 CCADLP Cc1cc(NC(=O)[C@H]2C[N@H+](C)CCO2)cn2cc[nH+]c12 ZINC000293886887 353848315 /nfs/dbraw/zinc/84/83/15/353848315.db2.gz LJZBELNSXNHTNC-GFCCVEGCSA-N 2 2 274.324 0.912 20 0 CCADLP Cc1cc(NC(=O)[C@H]2C[N@@H+](C)CCO2)cn2cc[nH+]c12 ZINC000293886887 353848316 /nfs/dbraw/zinc/84/83/16/353848316.db2.gz LJZBELNSXNHTNC-GFCCVEGCSA-N 2 2 274.324 0.912 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655467026 412584120 /nfs/dbraw/zinc/58/41/20/412584120.db2.gz CKJFUVABLJHPBG-BXUZGUMPSA-N 2 2 262.357 0.768 20 0 CCADLP C[C@@H](O)CNc1cc(NC[C@@H](C)C[NH+](C)C)[nH+]cn1 ZINC000298873072 353975080 /nfs/dbraw/zinc/97/50/80/353975080.db2.gz KIYGEADHRKWKTB-GHMZBOCLSA-N 2 2 267.377 0.879 20 0 CCADLP C[C@@H](O)CNc1cc(NC[C@@H](C)C[NH+](C)C)nc[nH+]1 ZINC000298873072 353975083 /nfs/dbraw/zinc/97/50/83/353975083.db2.gz KIYGEADHRKWKTB-GHMZBOCLSA-N 2 2 267.377 0.879 20 0 CCADLP CC[NH+]1CCN(C(=O)NCCn2cc[nH+]c2C)CC1 ZINC000299640583 354035174 /nfs/dbraw/zinc/03/51/74/354035174.db2.gz NGKQOQGJRWPTTH-UHFFFAOYSA-N 2 2 265.361 0.539 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000300263629 354062320 /nfs/dbraw/zinc/06/23/20/354062320.db2.gz WLLHLUUOLLYWCZ-AGIUHOORSA-N 2 2 271.361 0.274 20 0 CCADLP C[C@@H](CNC(=O)CCCC[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000556938031 291017178 /nfs/dbraw/zinc/01/71/78/291017178.db2.gz GXNCVVJRSSIEBT-AWEZNQCLSA-N 2 2 284.448 0.470 20 0 CCADLP COc1cc(C)[nH+]c(CN(C)CCOCC[NH3+])c1 ZINC000305953084 354169360 /nfs/dbraw/zinc/16/93/60/354169360.db2.gz DDQAPDBCGMFJEU-UHFFFAOYSA-N 2 2 253.346 0.806 20 0 CCADLP c1cn(-c2cc(N3C[C@@H]4C[NH2+]C[C@H]4C3)ncn2)c[nH+]1 ZINC000607143924 363339608 /nfs/dbraw/zinc/33/96/08/363339608.db2.gz QCRSBDXKBGXVGV-QWRGUYRKSA-N 2 2 256.313 0.318 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H](O)CN1CCCC1=O ZINC000305709322 354152401 /nfs/dbraw/zinc/15/24/01/354152401.db2.gz ZRBLYYSSGNBCMU-CYBMUJFWSA-N 2 2 280.372 0.188 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H](O)CN1CCCC1=O ZINC000305709322 354152406 /nfs/dbraw/zinc/15/24/06/354152406.db2.gz ZRBLYYSSGNBCMU-CYBMUJFWSA-N 2 2 280.372 0.188 20 0 CCADLP Cn1nc2c(cc1=O)C[N@@H+](CCn1cc[nH+]c1)CC2 ZINC000328688403 202012573 /nfs/dbraw/zinc/01/25/73/202012573.db2.gz ZVNINMOOBJYRHR-UHFFFAOYSA-N 2 2 259.313 0.035 20 0 CCADLP Cn1nc2c(cc1=O)C[N@H+](CCn1cc[nH+]c1)CC2 ZINC000328688403 202012577 /nfs/dbraw/zinc/01/25/77/202012577.db2.gz ZVNINMOOBJYRHR-UHFFFAOYSA-N 2 2 259.313 0.035 20 0 CCADLP C[N@@H+](Cc1cc2c(c(Cl)c1)OCO2)C[C@H](O)C[NH3+] ZINC000310953847 354194310 /nfs/dbraw/zinc/19/43/10/354194310.db2.gz MSXHIYCKHGVESB-SECBINFHSA-N 2 2 272.732 0.820 20 0 CCADLP C[N@H+](Cc1cc2c(c(Cl)c1)OCO2)C[C@H](O)C[NH3+] ZINC000310953847 354194312 /nfs/dbraw/zinc/19/43/12/354194312.db2.gz MSXHIYCKHGVESB-SECBINFHSA-N 2 2 272.732 0.820 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccco1 ZINC000311091718 354196740 /nfs/dbraw/zinc/19/67/40/354196740.db2.gz YYFGFCIFEUHONH-GFCCVEGCSA-N 2 2 256.346 0.651 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccco1 ZINC000311091718 354196743 /nfs/dbraw/zinc/19/67/43/354196743.db2.gz YYFGFCIFEUHONH-GFCCVEGCSA-N 2 2 256.346 0.651 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccco1 ZINC000311091718 354196746 /nfs/dbraw/zinc/19/67/46/354196746.db2.gz YYFGFCIFEUHONH-GFCCVEGCSA-N 2 2 256.346 0.651 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccco1 ZINC000311091718 354196748 /nfs/dbraw/zinc/19/67/48/354196748.db2.gz YYFGFCIFEUHONH-GFCCVEGCSA-N 2 2 256.346 0.651 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@H]1CCCCO1 ZINC000311744424 354203330 /nfs/dbraw/zinc/20/33/30/354203330.db2.gz TYFUKLQNDWAEQI-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@H]1CCCCO1 ZINC000311744424 354203332 /nfs/dbraw/zinc/20/33/32/354203332.db2.gz TYFUKLQNDWAEQI-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@H]1CCCCO1 ZINC000311744424 354203334 /nfs/dbraw/zinc/20/33/34/354203334.db2.gz TYFUKLQNDWAEQI-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@H]1CCCCO1 ZINC000311744424 354203337 /nfs/dbraw/zinc/20/33/37/354203337.db2.gz TYFUKLQNDWAEQI-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP CC[C@H]1CN(c2cc[nH+]c(N(C)C)n2)CC[N@@H+]1C[C@H](C)O ZINC000607145036 363339757 /nfs/dbraw/zinc/33/97/57/363339757.db2.gz RSNWUKCPANBXQA-STQMWFEESA-N 2 2 293.415 0.824 20 0 CCADLP CC[C@H]1CN(c2cc[nH+]c(N(C)C)n2)CC[N@H+]1C[C@H](C)O ZINC000607145036 363339761 /nfs/dbraw/zinc/33/97/61/363339761.db2.gz RSNWUKCPANBXQA-STQMWFEESA-N 2 2 293.415 0.824 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000607144912 363339993 /nfs/dbraw/zinc/33/99/93/363339993.db2.gz YSTLSSWHHPONJW-GFCCVEGCSA-N 2 2 288.355 0.165 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655483964 412587894 /nfs/dbraw/zinc/58/78/94/412587894.db2.gz OLPVOVRMQQHKIJ-HBNTYKKESA-N 2 2 250.346 0.688 20 0 CCADLP C[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)C[C@H](CO)O1 ZINC000314454931 354222299 /nfs/dbraw/zinc/22/22/99/354222299.db2.gz YJHKGCOTBXXKNU-DGCLKSJQSA-N 2 2 253.346 0.434 20 0 CCADLP C[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)C[C@H](CO)O1 ZINC000314454931 354222301 /nfs/dbraw/zinc/22/23/01/354222301.db2.gz YJHKGCOTBXXKNU-DGCLKSJQSA-N 2 2 253.346 0.434 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000330404054 354345866 /nfs/dbraw/zinc/34/58/66/354345866.db2.gz CTZSNWWVGDPBLL-STQMWFEESA-N 2 2 279.388 0.024 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000252545432 283024013 /nfs/dbraw/zinc/02/40/13/283024013.db2.gz JJHHXXDFPSMUGG-SYQHCUMBSA-N 2 2 281.400 0.354 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000252545432 283024014 /nfs/dbraw/zinc/02/40/14/283024014.db2.gz JJHHXXDFPSMUGG-SYQHCUMBSA-N 2 2 281.400 0.354 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+](C[C@](C)(O)C(C)=O)CC2)c1 ZINC000330822454 354427526 /nfs/dbraw/zinc/42/75/26/354427526.db2.gz DXQJZEWWYKRFBG-HNNXBMFYSA-N 2 2 293.367 0.552 20 0 CCADLP C[C@@H](CNC(=O)c1ccc(C[NH3+])o1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655489423 412592290 /nfs/dbraw/zinc/59/22/90/412592290.db2.gz RFOARVGFNLIZDN-SDDRHHMPSA-N 2 2 295.383 0.966 20 0 CCADLP C[C@@H](CNC(=O)c1ccc(C[NH3+])o1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655489423 412592295 /nfs/dbraw/zinc/59/22/95/412592295.db2.gz RFOARVGFNLIZDN-SDDRHHMPSA-N 2 2 295.383 0.966 20 0 CCADLP C[C@H]1C[C@@H](O)C[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000332394693 354660946 /nfs/dbraw/zinc/66/09/46/354660946.db2.gz OCQNXRHSMIWZBT-GXTWGEPZSA-N 2 2 291.399 0.184 20 0 CCADLP C[C@H]1C[C@@H](O)C[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000332394693 354660950 /nfs/dbraw/zinc/66/09/50/354660950.db2.gz OCQNXRHSMIWZBT-GXTWGEPZSA-N 2 2 291.399 0.184 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)CCn1cc[nH+]c1 ZINC000332548251 354694937 /nfs/dbraw/zinc/69/49/37/354694937.db2.gz HSOUCCWMYGHXME-LBPRGKRZSA-N 2 2 266.345 0.110 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)CCn1cc[nH+]c1 ZINC000332548251 354694941 /nfs/dbraw/zinc/69/49/41/354694941.db2.gz HSOUCCWMYGHXME-LBPRGKRZSA-N 2 2 266.345 0.110 20 0 CCADLP O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)NC[C@@H]1CCCO1 ZINC000333819949 354800669 /nfs/dbraw/zinc/80/06/69/354800669.db2.gz HIRFYBUGJKFRPX-QLFBSQMISA-N 2 2 295.427 0.746 20 0 CCADLP O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)NC[C@@H]1CCCO1 ZINC000333819949 354800673 /nfs/dbraw/zinc/80/06/73/354800673.db2.gz HIRFYBUGJKFRPX-QLFBSQMISA-N 2 2 295.427 0.746 20 0 CCADLP C[C@H]([NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)[C@H]1CCC[NH2+]1 ZINC000423109708 234930147 /nfs/dbraw/zinc/93/01/47/234930147.db2.gz SXOOMVUTJKVJDF-UMSGYPCISA-N 2 2 258.406 0.875 20 0 CCADLP Nc1[nH+]cnc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1Cl ZINC000333922709 354816207 /nfs/dbraw/zinc/81/62/07/354816207.db2.gz RQZNUPJUGOTXAN-JGVFFNPUSA-N 2 2 253.737 0.758 20 0 CCADLP Nc1nc[nH+]c(N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1Cl ZINC000333922709 354816209 /nfs/dbraw/zinc/81/62/09/354816209.db2.gz RQZNUPJUGOTXAN-JGVFFNPUSA-N 2 2 253.737 0.758 20 0 CCADLP Cc1nc(NCCCC[NH+]2CCN(C)CC2)cc[nH+]1 ZINC000608078715 363399050 /nfs/dbraw/zinc/39/90/50/363399050.db2.gz FQPUKCUGOLLKAM-UHFFFAOYSA-N 2 2 263.389 0.646 20 0 CCADLP CC(C)[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000334453236 354868689 /nfs/dbraw/zinc/86/86/89/354868689.db2.gz LSLFDKWUEFUOFS-CYBMUJFWSA-N 2 2 253.390 0.738 20 0 CCADLP CC(C)[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000334453236 354868692 /nfs/dbraw/zinc/86/86/92/354868692.db2.gz LSLFDKWUEFUOFS-CYBMUJFWSA-N 2 2 253.390 0.738 20 0 CCADLP Cc1nc(N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000532021748 358491705 /nfs/dbraw/zinc/49/17/05/358491705.db2.gz RWDWRWQUPHPZDD-JOYOIKCWSA-N 2 2 276.388 0.563 20 0 CCADLP Cc1nc(N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000532021748 358491707 /nfs/dbraw/zinc/49/17/07/358491707.db2.gz RWDWRWQUPHPZDD-JOYOIKCWSA-N 2 2 276.388 0.563 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000334509650 354880486 /nfs/dbraw/zinc/88/04/86/354880486.db2.gz ZUWWPCWTSPAILE-GFCCVEGCSA-N 2 2 258.325 0.902 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000334509650 354880489 /nfs/dbraw/zinc/88/04/89/354880489.db2.gz ZUWWPCWTSPAILE-GFCCVEGCSA-N 2 2 258.325 0.902 20 0 CCADLP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C[NH+](C)C ZINC000423600344 235016192 /nfs/dbraw/zinc/01/61/92/235016192.db2.gz CPWJYLXKTWBDJL-ZDUSSCGKSA-N 2 2 277.368 0.730 20 0 CCADLP Cc1nc(N2CCN(C(=O)C[C@@H]3CCC[NH2+]3)CC2)cc[nH+]1 ZINC000423784666 235080428 /nfs/dbraw/zinc/08/04/28/235080428.db2.gz QGCOHUATOXCPTH-ZDUSSCGKSA-N 2 2 289.383 0.576 20 0 CCADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000335811105 355017534 /nfs/dbraw/zinc/01/75/34/355017534.db2.gz VBRHHIKUFVNWPM-NEPJUHHUSA-N 2 2 287.354 0.832 20 0 CCADLP Cc1csc(=O)n1CC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000335844929 355026568 /nfs/dbraw/zinc/02/65/68/355026568.db2.gz REONGLZUHYQQRD-CYBMUJFWSA-N 2 2 267.398 0.904 20 0 CCADLP Cc1csc(=O)n1CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000335844929 355026572 /nfs/dbraw/zinc/02/65/72/355026572.db2.gz REONGLZUHYQQRD-CYBMUJFWSA-N 2 2 267.398 0.904 20 0 CCADLP C[C@@H](O)CC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000336706763 355143346 /nfs/dbraw/zinc/14/33/46/355143346.db2.gz WYBZLQCPZSRCAI-KGLIPLIRSA-N 2 2 256.390 0.802 20 0 CCADLP C[C@@H](O)CC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000336706763 355143347 /nfs/dbraw/zinc/14/33/47/355143347.db2.gz WYBZLQCPZSRCAI-KGLIPLIRSA-N 2 2 256.390 0.802 20 0 CCADLP Cc1ccccc1CN(C)C(=O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000336836924 355208519 /nfs/dbraw/zinc/20/85/19/355208519.db2.gz XWLMZMWAKHSCLG-AWEZNQCLSA-N 2 2 279.384 0.205 20 0 CCADLP Cc1ccccc1CN(C)C(=O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000336836924 355208522 /nfs/dbraw/zinc/20/85/22/355208522.db2.gz XWLMZMWAKHSCLG-AWEZNQCLSA-N 2 2 279.384 0.205 20 0 CCADLP CC[N@H+](C)C[C@@H]1CC[NH+](CCN2CCCS2(=O)=O)C1 ZINC000336798877 355172099 /nfs/dbraw/zinc/17/20/99/355172099.db2.gz GQZXGJCZMUHPKT-ZDUSSCGKSA-N 2 2 289.445 0.296 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CCN2CCCS2(=O)=O)C1 ZINC000336798877 355172104 /nfs/dbraw/zinc/17/21/04/355172104.db2.gz GQZXGJCZMUHPKT-ZDUSSCGKSA-N 2 2 289.445 0.296 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000336798877 355172109 /nfs/dbraw/zinc/17/21/09/355172109.db2.gz GQZXGJCZMUHPKT-ZDUSSCGKSA-N 2 2 289.445 0.296 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC000336798877 355172112 /nfs/dbraw/zinc/17/21/12/355172112.db2.gz GQZXGJCZMUHPKT-ZDUSSCGKSA-N 2 2 289.445 0.296 20 0 CCADLP C[N@@H+]1CCC[C@H]2CN(CC[NH+]3CCOCC3)CC[C@H]21 ZINC000336799362 355173425 /nfs/dbraw/zinc/17/34/25/355173425.db2.gz IINHVXODGNWUOS-LSDHHAIUSA-N 2 2 267.417 0.735 20 0 CCADLP C[N@H+]1CCC[C@H]2CN(CC[NH+]3CCOCC3)CC[C@H]21 ZINC000336799362 355173429 /nfs/dbraw/zinc/17/34/29/355173429.db2.gz IINHVXODGNWUOS-LSDHHAIUSA-N 2 2 267.417 0.735 20 0 CCADLP CC[NH+]1CCC([N@H+](C)CCN2C(=O)CCC2=O)CC1 ZINC000336803245 355178469 /nfs/dbraw/zinc/17/84/69/355178469.db2.gz XPUBIBHNHXSOMZ-UHFFFAOYSA-N 2 2 267.373 0.552 20 0 CCADLP CC[NH+]1CCC([N@@H+](C)CCN2C(=O)CCC2=O)CC1 ZINC000336803245 355178471 /nfs/dbraw/zinc/17/84/71/355178471.db2.gz XPUBIBHNHXSOMZ-UHFFFAOYSA-N 2 2 267.373 0.552 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+](CC[C@@H](C)O)CC2)c1 ZINC000336805031 355181748 /nfs/dbraw/zinc/18/17/48/355181748.db2.gz QVUORLZVVZTEDK-GFCCVEGCSA-N 2 2 265.357 0.983 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@H+](CCS(=O)(=O)N(C)C)C1 ZINC000336810783 355185760 /nfs/dbraw/zinc/18/57/60/355185760.db2.gz JJCMHAHVCZIWNI-CYBMUJFWSA-N 2 2 291.461 0.542 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CCS(=O)(=O)N(C)C)C1 ZINC000336810783 355185762 /nfs/dbraw/zinc/18/57/62/355185762.db2.gz JJCMHAHVCZIWNI-CYBMUJFWSA-N 2 2 291.461 0.542 20 0 CCADLP CC(C)OC[C@@H](O)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000336822070 355196350 /nfs/dbraw/zinc/19/63/50/355196350.db2.gz KIEJGRJUVNORRS-ZDUSSCGKSA-N 2 2 282.388 0.313 20 0 CCADLP Cn1cc[nH+]c1CN1CC[NH+](CC2(O)CCCC2)CC1 ZINC000336826736 355201455 /nfs/dbraw/zinc/20/14/55/355201455.db2.gz UNJTUDOZRFIKIK-UHFFFAOYSA-N 2 2 278.400 0.843 20 0 CCADLP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccon1 ZINC000338291902 355312873 /nfs/dbraw/zinc/31/28/73/355312873.db2.gz OCDPEPKVDOBMGY-LLVKDONJSA-N 2 2 266.345 0.489 20 0 CCADLP CC[NH+]1CCC([N@H+](C)CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000338303429 355316268 /nfs/dbraw/zinc/31/62/68/355316268.db2.gz GOONEBGWVBQUDI-UHFFFAOYSA-N 3 2 296.459 0.567 20 0 CCADLP CC[NH+]1CCC([N@@H+](C)CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000338303429 355316272 /nfs/dbraw/zinc/31/62/72/355316272.db2.gz GOONEBGWVBQUDI-UHFFFAOYSA-N 3 2 296.459 0.567 20 0 CCADLP CNS(=O)(=O)CCC[N@@H+]1C[C@H]([NH3+])[C@H](c2ccccc2)C1 ZINC000337183480 355279850 /nfs/dbraw/zinc/27/98/50/355279850.db2.gz NPYQLJQAJASLDI-KBPBESRZSA-N 2 2 297.424 0.352 20 0 CCADLP CNS(=O)(=O)CCC[N@H+]1C[C@H]([NH3+])[C@H](c2ccccc2)C1 ZINC000337183480 355279853 /nfs/dbraw/zinc/27/98/53/355279853.db2.gz NPYQLJQAJASLDI-KBPBESRZSA-N 2 2 297.424 0.352 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337222785 355286108 /nfs/dbraw/zinc/28/61/08/355286108.db2.gz FUMBWMGKEZYJNJ-LLVKDONJSA-N 2 2 270.377 0.248 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337222785 355286110 /nfs/dbraw/zinc/28/61/10/355286110.db2.gz FUMBWMGKEZYJNJ-LLVKDONJSA-N 2 2 270.377 0.248 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000339169940 355499423 /nfs/dbraw/zinc/49/94/23/355499423.db2.gz KLPQGLXDTSREJM-JSGCOSHPSA-N 2 2 276.384 0.905 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000339169940 355499425 /nfs/dbraw/zinc/49/94/25/355499425.db2.gz KLPQGLXDTSREJM-JSGCOSHPSA-N 2 2 276.384 0.905 20 0 CCADLP C[N@@H+]1CC[C@@]2(CC[NH+](CCN3C(=O)NC(C)(C)C3=O)C2)C1 ZINC000368319319 283107160 /nfs/dbraw/zinc/10/71/60/283107160.db2.gz WURIOIVAKFNNEY-OAHLLOKOSA-N 2 2 294.399 0.344 20 0 CCADLP C[N@H+]1CC[C@@]2(CC[NH+](CCN3C(=O)NC(C)(C)C3=O)C2)C1 ZINC000368319319 283107161 /nfs/dbraw/zinc/10/71/61/283107161.db2.gz WURIOIVAKFNNEY-OAHLLOKOSA-N 2 2 294.399 0.344 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@H+](CCN3C(=O)NC(C)(C)C3=O)C2)C1 ZINC000368319319 283107162 /nfs/dbraw/zinc/10/71/62/283107162.db2.gz WURIOIVAKFNNEY-OAHLLOKOSA-N 2 2 294.399 0.344 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@@H+](CCN3C(=O)NC(C)(C)C3=O)C2)C1 ZINC000368319319 283107163 /nfs/dbraw/zinc/10/71/63/283107163.db2.gz WURIOIVAKFNNEY-OAHLLOKOSA-N 2 2 294.399 0.344 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000341724312 355722651 /nfs/dbraw/zinc/72/26/51/355722651.db2.gz VVSCTKAYYFVCRP-AAEUAGOBSA-N 2 2 276.384 0.962 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000341724312 355722653 /nfs/dbraw/zinc/72/26/53/355722653.db2.gz VVSCTKAYYFVCRP-AAEUAGOBSA-N 2 2 276.384 0.962 20 0 CCADLP COC(=O)CC[C@H]([NH3+])C(=O)NCc1cn2ccccc2[nH+]1 ZINC000342764279 355740908 /nfs/dbraw/zinc/74/09/08/355740908.db2.gz HDFVGXGQDALABY-NSHDSACASA-N 2 2 290.323 0.231 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000342764305 355741128 /nfs/dbraw/zinc/74/11/28/355741128.db2.gz HHFRPJVXUSJIQY-LLVKDONJSA-N 2 2 291.342 0.022 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H](CO)C[C@H](O)C(C)(C)C ZINC000342813634 355752012 /nfs/dbraw/zinc/75/20/12/355752012.db2.gz SMGHPSYICURUFN-VOAKCMCISA-N 2 2 258.406 0.684 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H](CO)C[C@H](O)C(C)(C)C ZINC000342813634 355752014 /nfs/dbraw/zinc/75/20/14/355752014.db2.gz SMGHPSYICURUFN-VOAKCMCISA-N 2 2 258.406 0.684 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC(=O)N1CCCCC1 ZINC000342821534 355752916 /nfs/dbraw/zinc/75/29/16/355752916.db2.gz NPHAWQNHMZCVFR-STQMWFEESA-N 2 2 253.390 0.929 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC(=O)N1CCCCC1 ZINC000342821534 355752919 /nfs/dbraw/zinc/75/29/19/355752919.db2.gz NPHAWQNHMZCVFR-STQMWFEESA-N 2 2 253.390 0.929 20 0 CCADLP Cn1cc[nH+]c1[C@H](NC(=O)C[NH3+])c1ccc(F)cc1 ZINC000342888600 355763581 /nfs/dbraw/zinc/76/35/81/355763581.db2.gz ROGBZOJUPDXUJE-GFCCVEGCSA-N 2 2 262.288 0.724 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428042231 235392506 /nfs/dbraw/zinc/39/25/06/235392506.db2.gz LCEKKWZUKHAJIS-SCVCMEIPSA-N 2 2 280.372 0.047 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428042231 235392508 /nfs/dbraw/zinc/39/25/08/235392508.db2.gz LCEKKWZUKHAJIS-SCVCMEIPSA-N 2 2 280.372 0.047 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000428157297 235397785 /nfs/dbraw/zinc/39/77/85/235397785.db2.gz OWGFVZRXWGOEOW-RWMBFGLXSA-N 2 2 269.389 0.435 20 0 CCADLP CO[C@H]1C[C@@H](CO)[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348485659 355938819 /nfs/dbraw/zinc/93/88/19/355938819.db2.gz VRRIYIWVSYWXRK-QWRGUYRKSA-N 2 2 285.413 0.786 20 0 CCADLP CO[C@H]1C[C@@H](CO)[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348485659 355938821 /nfs/dbraw/zinc/93/88/21/355938821.db2.gz VRRIYIWVSYWXRK-QWRGUYRKSA-N 2 2 285.413 0.786 20 0 CCADLP C[C@H](C[S@@](C)=O)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351605111 356003214 /nfs/dbraw/zinc/00/32/14/356003214.db2.gz NETUPWHSQBAPMN-ILMHXZGMSA-N 2 2 262.419 0.140 20 0 CCADLP C[C@H](C[S@@](C)=O)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351605111 356003215 /nfs/dbraw/zinc/00/32/15/356003215.db2.gz NETUPWHSQBAPMN-ILMHXZGMSA-N 2 2 262.419 0.140 20 0 CCADLP C[C@H](C[S@@](C)=O)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351605111 356003216 /nfs/dbraw/zinc/00/32/16/356003216.db2.gz NETUPWHSQBAPMN-ILMHXZGMSA-N 2 2 262.419 0.140 20 0 CCADLP C[C@H](C[S@@](C)=O)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351605111 356003217 /nfs/dbraw/zinc/00/32/17/356003217.db2.gz NETUPWHSQBAPMN-ILMHXZGMSA-N 2 2 262.419 0.140 20 0 CCADLP CC[C@@H](C(=O)OC)N1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000352723322 356063802 /nfs/dbraw/zinc/06/38/02/356063802.db2.gz DQKNKWAGOWCZDL-AWEZNQCLSA-N 2 2 294.399 0.761 20 0 CCADLP CC[N@@H+]1CCN(CC[NH+]2CCOC[C@@H]2C)[C@H](C)C1 ZINC000352667973 356048497 /nfs/dbraw/zinc/04/84/97/356048497.db2.gz ONSMHQCFHYLDKB-KGLIPLIRSA-N 2 2 255.406 0.733 20 0 CCADLP CC[N@H+]1CCN(CC[NH+]2CCOC[C@@H]2C)[C@H](C)C1 ZINC000352667973 356048500 /nfs/dbraw/zinc/04/85/00/356048500.db2.gz ONSMHQCFHYLDKB-KGLIPLIRSA-N 2 2 255.406 0.733 20 0 CCADLP CC[NH+]1CCN(CC[N@@H+]2CCOC[C@@H]2C)[C@H](C)C1 ZINC000352667973 356048502 /nfs/dbraw/zinc/04/85/02/356048502.db2.gz ONSMHQCFHYLDKB-KGLIPLIRSA-N 2 2 255.406 0.733 20 0 CCADLP CC[NH+]1CCN(CC[N@H+]2CCOC[C@@H]2C)[C@H](C)C1 ZINC000352667973 356048506 /nfs/dbraw/zinc/04/85/06/356048506.db2.gz ONSMHQCFHYLDKB-KGLIPLIRSA-N 2 2 255.406 0.733 20 0 CCADLP Cc1nocc1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000352911760 356110496 /nfs/dbraw/zinc/11/04/96/356110496.db2.gz AJZJCQBTEJSHFB-UHFFFAOYSA-N 2 2 253.346 0.919 20 0 CCADLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2csnn2)CC1 ZINC000352976061 356125048 /nfs/dbraw/zinc/12/50/48/356125048.db2.gz IGSBIZUNKXHLLS-UHFFFAOYSA-N 2 2 297.428 0.428 20 0 CCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCC[N@H+](C)C1CC1 ZINC000352733160 356065691 /nfs/dbraw/zinc/06/56/91/356065691.db2.gz WEPUXIVEVNBPCM-ZDUSSCGKSA-N 2 2 297.447 0.016 20 0 CCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCC[N@@H+](C)C1CC1 ZINC000352733160 356065696 /nfs/dbraw/zinc/06/56/96/356065696.db2.gz WEPUXIVEVNBPCM-ZDUSSCGKSA-N 2 2 297.447 0.016 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000352776486 356078278 /nfs/dbraw/zinc/07/82/78/356078278.db2.gz SWESOZKCSIWJJC-OLZOCXBDSA-N 2 2 292.383 0.597 20 0 CCADLP C[N@H+](CC(=O)NC1CCOCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353153321 356164448 /nfs/dbraw/zinc/16/44/48/356164448.db2.gz KGWVGEPRZIKGDG-YIONKMFJSA-N 2 2 295.427 0.839 20 0 CCADLP C[N@@H+](CC(=O)NC1CCOCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353153321 356164451 /nfs/dbraw/zinc/16/44/51/356164451.db2.gz KGWVGEPRZIKGDG-YIONKMFJSA-N 2 2 295.427 0.839 20 0 CCADLP C[NH+](CC(=O)NC1CCOCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353153321 356164456 /nfs/dbraw/zinc/16/44/56/356164456.db2.gz KGWVGEPRZIKGDG-YIONKMFJSA-N 2 2 295.427 0.839 20 0 CCADLP C[NH+](CC(=O)NC1CCOCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353153321 356164460 /nfs/dbraw/zinc/16/44/60/356164460.db2.gz KGWVGEPRZIKGDG-YIONKMFJSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@H](C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)[NH+]1CCOCC1 ZINC000353375577 356211441 /nfs/dbraw/zinc/21/14/41/356211441.db2.gz PTELFFKMATUPGU-HIFRSBDPSA-N 2 2 295.427 0.555 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360565568 138000561 /nfs/dbraw/zinc/00/05/61/138000561.db2.gz VEYNNVBCQBOGFL-MRXNPFEDSA-N 2 2 297.443 0.851 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360565568 138000562 /nfs/dbraw/zinc/00/05/62/138000562.db2.gz VEYNNVBCQBOGFL-MRXNPFEDSA-N 2 2 297.443 0.851 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000353434751 356222630 /nfs/dbraw/zinc/22/26/30/356222630.db2.gz WGYPRYMNOZSFGP-MJBXVCDLSA-N 2 2 282.432 0.127 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000353434752 356222803 /nfs/dbraw/zinc/22/28/03/356222803.db2.gz WGYPRYMNOZSFGP-RDBSUJKOSA-N 2 2 282.432 0.127 20 0 CCADLP CCn1cc(C[N@H+](C)C2CC[NH+](CCO)CC2)cn1 ZINC000353361260 356209068 /nfs/dbraw/zinc/20/90/68/356209068.db2.gz SOFVVMHFVVHDLS-UHFFFAOYSA-N 2 2 266.389 0.792 20 0 CCADLP CCn1cc(C[N@@H+](C)C2CC[NH+](CCO)CC2)cn1 ZINC000353361260 356209074 /nfs/dbraw/zinc/20/90/74/356209074.db2.gz SOFVVMHFVVHDLS-UHFFFAOYSA-N 2 2 266.389 0.792 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000353581910 356253859 /nfs/dbraw/zinc/25/38/59/356253859.db2.gz ZUSDLIDDHHJUME-SRVKXCTJSA-N 2 2 257.378 0.197 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000353581910 356253861 /nfs/dbraw/zinc/25/38/61/356253861.db2.gz ZUSDLIDDHHJUME-SRVKXCTJSA-N 2 2 257.378 0.197 20 0 CCADLP C[NH+]1CCO[C@H](CNC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)C1 ZINC000353398532 283148550 /nfs/dbraw/zinc/14/85/50/283148550.db2.gz ZXLFXBSHAGZXAI-BFHYXJOUSA-N 2 2 296.415 0.053 20 0 CCADLP C[NH+]1CCO[C@H](CNC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)C1 ZINC000353398532 283148553 /nfs/dbraw/zinc/14/85/53/283148553.db2.gz ZXLFXBSHAGZXAI-BFHYXJOUSA-N 2 2 296.415 0.053 20 0 CCADLP C[NH+]1CC[C@H]2CCN(C(=O)NC[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC000353398532 283148557 /nfs/dbraw/zinc/14/85/57/283148557.db2.gz ZXLFXBSHAGZXAI-BFHYXJOUSA-N 2 2 296.415 0.053 20 0 CCADLP C[NH+]1CC[C@H]2CCN(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC000353398532 283148561 /nfs/dbraw/zinc/14/85/61/283148561.db2.gz ZXLFXBSHAGZXAI-BFHYXJOUSA-N 2 2 296.415 0.053 20 0 CCADLP CCO[C@@H]1C[C@@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000360893272 138015240 /nfs/dbraw/zinc/01/52/40/138015240.db2.gz BRBXPLOKRSNLQL-UONOGXRCSA-N 2 2 283.416 0.554 20 0 CCADLP CCCC[C@H]([NH3+])C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000353699870 356275651 /nfs/dbraw/zinc/27/56/51/356275651.db2.gz GFMNAXKMQWJZCC-IHRRRGAJSA-N 2 2 283.416 0.683 20 0 CCADLP COc1coc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1=O ZINC000360569615 138001069 /nfs/dbraw/zinc/00/10/69/138001069.db2.gz NXMILRJPVSMFSA-CQSZACIVSA-N 2 2 264.325 0.834 20 0 CCADLP COc1coc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1=O ZINC000360569615 138001070 /nfs/dbraw/zinc/00/10/70/138001070.db2.gz NXMILRJPVSMFSA-CQSZACIVSA-N 2 2 264.325 0.834 20 0 CCADLP Cn1cc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)c(C(F)F)n1 ZINC000360955298 138017062 /nfs/dbraw/zinc/01/70/62/138017062.db2.gz QQEBZYCHHAIDIG-NSHDSACASA-N 2 2 287.358 0.693 20 0 CCADLP Cn1cc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)c(C(F)F)n1 ZINC000360955298 138017063 /nfs/dbraw/zinc/01/70/63/138017063.db2.gz QQEBZYCHHAIDIG-NSHDSACASA-N 2 2 287.358 0.693 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccnnc3)C2)CC1 ZINC000361168439 138023587 /nfs/dbraw/zinc/02/35/87/138023587.db2.gz NEGZILADONHBBX-ZDUSSCGKSA-N 2 2 289.383 0.375 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccnnc3)C2)CC1 ZINC000361168439 138023588 /nfs/dbraw/zinc/02/35/88/138023588.db2.gz NEGZILADONHBBX-ZDUSSCGKSA-N 2 2 289.383 0.375 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCC[C@@H](C(N)=O)C2)CC[N@@H+]1C ZINC000361174494 138024201 /nfs/dbraw/zinc/02/42/01/138024201.db2.gz XVFHWFZEZWUHCV-RBSFLKMASA-N 3 2 296.459 0.646 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCC[C@@H](C(N)=O)C2)CC[N@H+]1C ZINC000361174494 138024202 /nfs/dbraw/zinc/02/42/02/138024202.db2.gz XVFHWFZEZWUHCV-RBSFLKMASA-N 3 2 296.459 0.646 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC[NH+]1C ZINC000361174494 138024203 /nfs/dbraw/zinc/02/42/03/138024203.db2.gz XVFHWFZEZWUHCV-RBSFLKMASA-N 3 2 296.459 0.646 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC[NH+]1C ZINC000361174494 138024204 /nfs/dbraw/zinc/02/42/04/138024204.db2.gz XVFHWFZEZWUHCV-RBSFLKMASA-N 3 2 296.459 0.646 20 0 CCADLP COC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)C(C)C ZINC000361220087 138025849 /nfs/dbraw/zinc/02/58/49/138025849.db2.gz IQJGMQQNNXZRFX-OLZOCXBDSA-N 2 2 271.405 0.587 20 0 CCADLP COC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)C(C)C ZINC000361220087 138025850 /nfs/dbraw/zinc/02/58/50/138025850.db2.gz IQJGMQQNNXZRFX-OLZOCXBDSA-N 2 2 271.405 0.587 20 0 CCADLP C[C@@H]1C[C@H](C)[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000354219167 356369030 /nfs/dbraw/zinc/36/90/30/356369030.db2.gz COSNYWULXHZZIS-KGLIPLIRSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000354219167 356369034 /nfs/dbraw/zinc/36/90/34/356369034.db2.gz COSNYWULXHZZIS-KGLIPLIRSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+](C2CCC2)CC1)N1CC[NH+](C)CC1 ZINC000354361540 356399385 /nfs/dbraw/zinc/39/93/85/356399385.db2.gz QGZDPGQAUSIOFX-AWEZNQCLSA-N 2 2 294.443 0.319 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000362566710 138064701 /nfs/dbraw/zinc/06/47/01/138064701.db2.gz ZDRPTWGAFYKFIK-VIFPVBQESA-N 2 2 274.328 0.182 20 0 CCADLP CCSCC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362828743 138076082 /nfs/dbraw/zinc/07/60/82/138076082.db2.gz YBSGHBIKGXZJNU-LBPRGKRZSA-N 2 2 271.430 0.636 20 0 CCADLP CCSCC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362828743 138076083 /nfs/dbraw/zinc/07/60/83/138076083.db2.gz YBSGHBIKGXZJNU-LBPRGKRZSA-N 2 2 271.430 0.636 20 0 CCADLP Cc1ncc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)s1 ZINC000362687942 138069934 /nfs/dbraw/zinc/06/99/34/138069934.db2.gz XVBMOOGBCJCSSV-LBPRGKRZSA-N 2 2 294.424 0.848 20 0 CCADLP Cc1ncc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)s1 ZINC000362687942 138069935 /nfs/dbraw/zinc/06/99/35/138069935.db2.gz XVBMOOGBCJCSSV-LBPRGKRZSA-N 2 2 294.424 0.848 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000354623647 356456344 /nfs/dbraw/zinc/45/63/44/356456344.db2.gz FNBGUPMWEFZJTK-CYBMUJFWSA-N 3 2 299.463 0.262 20 0 CCADLP CCC[C@H]([NH2+]C(C)C)C(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000354932960 356532252 /nfs/dbraw/zinc/53/22/52/356532252.db2.gz YFSLSIYLBINYHR-IHRRRGAJSA-N 2 2 283.416 0.695 20 0 CCADLP CCC[C@H]([NH2+]C(C)C)C(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000354932960 356532259 /nfs/dbraw/zinc/53/22/59/356532259.db2.gz YFSLSIYLBINYHR-IHRRRGAJSA-N 2 2 283.416 0.695 20 0 CCADLP C[C@H]([NH3+])CCC(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000434681644 235653638 /nfs/dbraw/zinc/65/36/38/235653638.db2.gz QOKCSTDGVZXZJI-VIFPVBQESA-N 2 2 283.376 0.610 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC(=O)NC2CC2)C[C@@H]1C ZINC000610133317 363538088 /nfs/dbraw/zinc/53/80/88/363538088.db2.gz DHBIWVRSRANZFB-WCQYABFASA-N 2 2 296.415 0.779 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC(=O)NC2CC2)C[C@@H]1C ZINC000610133317 363538094 /nfs/dbraw/zinc/53/80/94/363538094.db2.gz DHBIWVRSRANZFB-WCQYABFASA-N 2 2 296.415 0.779 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC(=O)NC2CC2)C[C@@H]1C ZINC000610133317 363538099 /nfs/dbraw/zinc/53/80/99/363538099.db2.gz DHBIWVRSRANZFB-WCQYABFASA-N 2 2 296.415 0.779 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC(=O)NC2CC2)C[C@@H]1C ZINC000610133317 363538105 /nfs/dbraw/zinc/53/81/05/363538105.db2.gz DHBIWVRSRANZFB-WCQYABFASA-N 2 2 296.415 0.779 20 0 CCADLP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000532749317 358511880 /nfs/dbraw/zinc/51/18/80/358511880.db2.gz XIBGURGBRSBZJD-QWHCGFSZSA-N 2 2 276.384 0.904 20 0 CCADLP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000532749317 358511885 /nfs/dbraw/zinc/51/18/85/358511885.db2.gz XIBGURGBRSBZJD-QWHCGFSZSA-N 2 2 276.384 0.904 20 0 CCADLP C[C@@H](C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)C1C[NH2+]C1 ZINC000357237271 356769734 /nfs/dbraw/zinc/76/97/34/356769734.db2.gz GZMXGAZCFRAYKI-HIFRSBDPSA-N 2 2 295.427 0.555 20 0 CCADLP C[C@@H](C(=O)NCc1cccs1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359307273 356799360 /nfs/dbraw/zinc/79/93/60/356799360.db2.gz NEHANYMNCSMZMN-SDDRHHMPSA-N 2 2 279.409 0.904 20 0 CCADLP C[C@@H](C(=O)NCc1cccs1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359307273 356799362 /nfs/dbraw/zinc/79/93/62/356799362.db2.gz NEHANYMNCSMZMN-SDDRHHMPSA-N 2 2 279.409 0.904 20 0 CCADLP C[C@@H](C(=O)NCc1ccccc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359317746 356802346 /nfs/dbraw/zinc/80/23/46/356802346.db2.gz YCULIFXPBLSFSJ-AEGPPILISA-N 2 2 273.380 0.843 20 0 CCADLP C[C@@H](C(=O)NCc1ccccc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359317746 356802347 /nfs/dbraw/zinc/80/23/47/356802347.db2.gz YCULIFXPBLSFSJ-AEGPPILISA-N 2 2 273.380 0.843 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+](C)[C@H]2CCSC2)C[C@H](C)[N@@H+]1C ZINC000358685552 356781740 /nfs/dbraw/zinc/78/17/40/356781740.db2.gz MDCYEKYCUUHVPS-XQQFMLRXSA-N 2 2 285.457 0.975 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+](C)[C@H]2CCSC2)C[C@H](C)[NH+]1C ZINC000358685552 356781744 /nfs/dbraw/zinc/78/17/44/356781744.db2.gz MDCYEKYCUUHVPS-XQQFMLRXSA-N 2 2 285.457 0.975 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)[C@H]2CCSC2)C[C@H](C)[NH+]1C ZINC000358685552 356781748 /nfs/dbraw/zinc/78/17/48/356781748.db2.gz MDCYEKYCUUHVPS-XQQFMLRXSA-N 2 2 285.457 0.975 20 0 CCADLP CC[NH+]1CCN(CC(=O)N2C[C@@H](C)[NH+](C)[C@H](C)C2)CC1 ZINC000358712055 356783352 /nfs/dbraw/zinc/78/33/52/356783352.db2.gz QVYFQRRWFAMARM-ZIAGYGMSSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000359568118 356846669 /nfs/dbraw/zinc/84/66/69/356846669.db2.gz WFZOBWQMYBVJEC-QWRGUYRKSA-N 2 2 280.372 0.901 20 0 CCADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000359568118 356846675 /nfs/dbraw/zinc/84/66/75/356846675.db2.gz WFZOBWQMYBVJEC-QWRGUYRKSA-N 2 2 280.372 0.901 20 0 CCADLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)NC(=O)NCC(C)C)CC1 ZINC000359952698 356925979 /nfs/dbraw/zinc/92/59/79/356925979.db2.gz PDNNJVJZQCMTIN-GFCCVEGCSA-N 2 2 298.431 0.931 20 0 CCADLP C[NH+](CC1(C[N@@H+](C)[C@@H]2CCOC2)COC1)[C@@H]1CCOC1 ZINC000360028779 356936827 /nfs/dbraw/zinc/93/68/27/356936827.db2.gz XKABEYXCVZVHNM-ZIAGYGMSSA-N 2 2 284.400 0.444 20 0 CCADLP C[NH+](CC1(C[N@H+](C)[C@@H]2CCOC2)COC1)[C@@H]1CCOC1 ZINC000360028779 356936831 /nfs/dbraw/zinc/93/68/31/356936831.db2.gz XKABEYXCVZVHNM-ZIAGYGMSSA-N 2 2 284.400 0.444 20 0 CCADLP C[C@H]1C[C@H](NC(=O)C2([NH+]3CCOCC3)CCC2)CC[N@@H+]1C ZINC000360335751 356993666 /nfs/dbraw/zinc/99/36/66/356993666.db2.gz NQOVRQXQYLTVMG-UONOGXRCSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@H]1C[C@H](NC(=O)C2([NH+]3CCOCC3)CCC2)CC[N@H+]1C ZINC000360335751 356993669 /nfs/dbraw/zinc/99/36/69/356993669.db2.gz NQOVRQXQYLTVMG-UONOGXRCSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCN(C)CC1 ZINC000360085578 356945215 /nfs/dbraw/zinc/94/52/15/356945215.db2.gz QGDKHMFJIIDKHN-LSDHHAIUSA-N 2 2 296.459 0.423 20 0 CCADLP CN1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1=O ZINC000655704915 412648006 /nfs/dbraw/zinc/64/80/06/412648006.db2.gz QFFFPFQJEMSXHC-CHWSQXEVSA-N 2 2 267.373 0.060 20 0 CCADLP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000360543294 357037637 /nfs/dbraw/zinc/03/76/37/357037637.db2.gz AVEIVABRSCRZGB-KBPBESRZSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000360543294 357037639 /nfs/dbraw/zinc/03/76/39/357037639.db2.gz AVEIVABRSCRZGB-KBPBESRZSA-N 2 2 295.427 0.792 20 0 CCADLP C[N@H+](C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1)[C@@H]1COC[C@@H]1O ZINC000361381535 357046237 /nfs/dbraw/zinc/04/62/37/357046237.db2.gz OJDFWDZMOUUVCJ-XUWVNRHRSA-N 2 2 291.395 0.766 20 0 CCADLP C[N@@H+](C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1)[C@@H]1COC[C@@H]1O ZINC000361381535 357046242 /nfs/dbraw/zinc/04/62/42/357046242.db2.gz OJDFWDZMOUUVCJ-XUWVNRHRSA-N 2 2 291.395 0.766 20 0 CCADLP C[NH+](C[C@@H]1CC[N@H+](C)[C@@H]1c1cccnc1)[C@@H]1COC[C@@H]1O ZINC000361381535 357046246 /nfs/dbraw/zinc/04/62/46/357046246.db2.gz OJDFWDZMOUUVCJ-XUWVNRHRSA-N 2 2 291.395 0.766 20 0 CCADLP C[NH+](C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccnc1)[C@@H]1COC[C@@H]1O ZINC000361381535 357046251 /nfs/dbraw/zinc/04/62/51/357046251.db2.gz OJDFWDZMOUUVCJ-XUWVNRHRSA-N 2 2 291.395 0.766 20 0 CCADLP CCOC(=O)[C@@](C)(O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000364283386 357104809 /nfs/dbraw/zinc/10/48/09/357104809.db2.gz RRUBGGRUAAOTPU-AWEZNQCLSA-N 2 2 281.356 0.903 20 0 CCADLP COC[C@@H](CCO)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655726782 412651338 /nfs/dbraw/zinc/65/13/38/412651338.db2.gz PRLYOSJCIYOOJU-KGLIPLIRSA-N 2 2 272.389 0.227 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000367845844 357285065 /nfs/dbraw/zinc/28/50/65/357285065.db2.gz JKQHDFVRVWDOJZ-HIFRSBDPSA-N 2 2 283.416 0.555 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000367845844 357285070 /nfs/dbraw/zinc/28/50/70/357285070.db2.gz JKQHDFVRVWDOJZ-HIFRSBDPSA-N 2 2 283.416 0.555 20 0 CCADLP COCCCNC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000367845844 357285076 /nfs/dbraw/zinc/28/50/76/357285076.db2.gz JKQHDFVRVWDOJZ-HIFRSBDPSA-N 2 2 283.416 0.555 20 0 CCADLP COCCCNC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000367845844 357285078 /nfs/dbraw/zinc/28/50/78/357285078.db2.gz JKQHDFVRVWDOJZ-HIFRSBDPSA-N 2 2 283.416 0.555 20 0 CCADLP Cn1ncc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)n1 ZINC000368122024 357324511 /nfs/dbraw/zinc/32/45/11/357324511.db2.gz HOIYXRINNFSBNC-UHFFFAOYSA-N 2 2 293.415 0.749 20 0 CCADLP [NH3+]Cc1cc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)co1 ZINC000375978137 357422104 /nfs/dbraw/zinc/42/21/04/357422104.db2.gz WUWKQUCLVKSABG-KGLIPLIRSA-N 2 2 293.367 0.410 20 0 CCADLP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)NCC2CC2)CC1 ZINC000377393513 357570616 /nfs/dbraw/zinc/57/06/16/357570616.db2.gz SMDCRCUMHKYBIZ-CYBMUJFWSA-N 2 2 253.390 0.929 20 0 CCADLP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)NCC2CC2)CC1 ZINC000377393513 357570621 /nfs/dbraw/zinc/57/06/21/357570621.db2.gz SMDCRCUMHKYBIZ-CYBMUJFWSA-N 2 2 253.390 0.929 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000377196534 357550518 /nfs/dbraw/zinc/55/05/18/357550518.db2.gz JIYJUJKYMABQMD-JSGCOSHPSA-N 3 2 280.416 0.023 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000377196534 357550521 /nfs/dbraw/zinc/55/05/21/357550521.db2.gz JIYJUJKYMABQMD-JSGCOSHPSA-N 3 2 280.416 0.023 20 0 CCADLP C[NH+](C)[C@@H]1CCC[N@H+](CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000377266868 357559791 /nfs/dbraw/zinc/55/97/91/357559791.db2.gz MTXYDIMRJVBJJA-GFCCVEGCSA-N 2 2 296.415 0.733 20 0 CCADLP C[NH+](C)[C@@H]1CCC[N@@H+](CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000377266868 357559792 /nfs/dbraw/zinc/55/97/92/357559792.db2.gz MTXYDIMRJVBJJA-GFCCVEGCSA-N 2 2 296.415 0.733 20 0 CCADLP CCN(CCO)CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655757469 412656396 /nfs/dbraw/zinc/65/63/96/412656396.db2.gz TULGPIIOCUOOLG-OAHLLOKOSA-N 2 2 285.432 0.144 20 0 CCADLP COC[C@@H](CO)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655764714 412656511 /nfs/dbraw/zinc/65/65/11/412656511.db2.gz PNWYWPBGNAVESN-ZIAGYGMSSA-N 2 2 272.389 0.227 20 0 CCADLP COCC[C@H](COC)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655769691 412658006 /nfs/dbraw/zinc/65/80/06/412658006.db2.gz LZQOSMKXWHKNBE-HUUCEWRRSA-N 2 2 286.416 0.881 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@](C)(COC)C1 ZINC000381480377 357710004 /nfs/dbraw/zinc/71/00/04/357710004.db2.gz NNXPMHWXJHANCZ-KBPBESRZSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@](C)(COC)C1 ZINC000381480377 357710008 /nfs/dbraw/zinc/71/00/08/357710008.db2.gz NNXPMHWXJHANCZ-KBPBESRZSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@](C)(COC)C1 ZINC000381480377 357710010 /nfs/dbraw/zinc/71/00/10/357710010.db2.gz NNXPMHWXJHANCZ-KBPBESRZSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@](C)(COC)C1 ZINC000381480377 357710013 /nfs/dbraw/zinc/71/00/13/357710013.db2.gz NNXPMHWXJHANCZ-KBPBESRZSA-N 2 2 274.405 0.284 20 0 CCADLP CCc1nc(C[N@H+](C)CCC(=O)N2CC[NH2+]CC2)cs1 ZINC000380956298 357707000 /nfs/dbraw/zinc/70/70/00/357707000.db2.gz VKIYDYBLPWASPU-UHFFFAOYSA-N 2 2 296.440 0.959 20 0 CCADLP CCc1nc(C[N@@H+](C)CCC(=O)N2CC[NH2+]CC2)cs1 ZINC000380956298 357707001 /nfs/dbraw/zinc/70/70/01/357707001.db2.gz VKIYDYBLPWASPU-UHFFFAOYSA-N 2 2 296.440 0.959 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CS1 ZINC000397757281 357772693 /nfs/dbraw/zinc/77/26/93/357772693.db2.gz GOJPVHKRDLIZBL-QWRGUYRKSA-N 2 2 257.403 0.244 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000561203791 291120946 /nfs/dbraw/zinc/12/09/46/291120946.db2.gz YKOQCLRKJFWSLP-MCIONIFRSA-N 2 2 281.400 0.260 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000561203791 291120948 /nfs/dbraw/zinc/12/09/48/291120948.db2.gz YKOQCLRKJFWSLP-MCIONIFRSA-N 2 2 281.400 0.260 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)N[C@H](CO)C[NH+]1CCCCC1 ZINC000294541273 199077976 /nfs/dbraw/zinc/07/79/76/199077976.db2.gz VYWRSDLMJMFDKA-IHVVCDCBSA-N 2 2 278.356 0.386 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000455036448 236321170 /nfs/dbraw/zinc/32/11/70/236321170.db2.gz QFVHXMOJVJQJGB-LBPRGKRZSA-N 2 2 278.356 0.342 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000455036448 236321171 /nfs/dbraw/zinc/32/11/71/236321171.db2.gz QFVHXMOJVJQJGB-LBPRGKRZSA-N 2 2 278.356 0.342 20 0 CCADLP C[NH2+]CC(=O)NC[C@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000561937280 291135902 /nfs/dbraw/zinc/13/59/02/291135902.db2.gz XRMXOJDQYWYTAY-GFCCVEGCSA-N 2 2 296.440 0.372 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1)C(=O)OC ZINC000420289203 358179184 /nfs/dbraw/zinc/17/91/84/358179184.db2.gz JWRFYHFSNYUBQL-XEGUGMAKSA-N 2 2 299.415 0.407 20 0 CCADLP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420356998 358180818 /nfs/dbraw/zinc/18/08/18/358180818.db2.gz RMYLNDLNVFLZKM-VOAKCMCISA-N 2 2 271.405 0.321 20 0 CCADLP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420356998 358180821 /nfs/dbraw/zinc/18/08/21/358180821.db2.gz RMYLNDLNVFLZKM-VOAKCMCISA-N 2 2 271.405 0.321 20 0 CCADLP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000446282550 358248179 /nfs/dbraw/zinc/24/81/79/358248179.db2.gz GVIOQPSQWUYXDH-GARJFASQSA-N 2 2 266.320 0.816 20 0 CCADLP Cn1cncc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000329268646 202258956 /nfs/dbraw/zinc/25/89/56/202258956.db2.gz IDARUJJWCHOGDD-LSDHHAIUSA-N 2 2 278.400 0.888 20 0 CCADLP C[NH2+][C@@H](C)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000514798528 358336484 /nfs/dbraw/zinc/33/64/84/358336484.db2.gz MGLRDZRJAGTBLL-STQMWFEESA-N 2 2 276.384 0.895 20 0 CCADLP FC(F)(F)Cn1cc[nH+]c1CNC[C@@H]1COCC[NH2+]1 ZINC000530182437 358373637 /nfs/dbraw/zinc/37/36/37/358373637.db2.gz ULKCUWKSUYKSMQ-SECBINFHSA-N 2 2 278.278 0.523 20 0 CCADLP CC(=O)NCC(=O)N1CCC[N@@H+](C[C@H]([NH3+])CC(C)C)CC1 ZINC000530243339 358385246 /nfs/dbraw/zinc/38/52/46/358385246.db2.gz HNYVYJJCGWTIDF-CQSZACIVSA-N 2 2 298.431 0.030 20 0 CCADLP CC(=O)NCC(=O)N1CCC[N@H+](C[C@H]([NH3+])CC(C)C)CC1 ZINC000530243339 358385249 /nfs/dbraw/zinc/38/52/49/358385249.db2.gz HNYVYJJCGWTIDF-CQSZACIVSA-N 2 2 298.431 0.030 20 0 CCADLP COCCOC[C@H](O)C[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000567678415 358570484 /nfs/dbraw/zinc/57/04/84/358570484.db2.gz SJKHRHIHFMRGBJ-CQSZACIVSA-N 2 2 297.399 0.375 20 0 CCADLP Cc1cc(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)nc(C)n1 ZINC000567708019 358574111 /nfs/dbraw/zinc/57/41/11/358574111.db2.gz HLZMPRIBJKSERA-AWEZNQCLSA-N 2 2 264.373 0.638 20 0 CCADLP CC(C)OC[C@@H](O)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000567709230 358575329 /nfs/dbraw/zinc/57/53/29/358575329.db2.gz NBERUNBWABJTFI-QWRGUYRKSA-N 2 2 253.346 0.643 20 0 CCADLP CC(C)OC[C@@H](O)C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000567709230 358575332 /nfs/dbraw/zinc/57/53/32/358575332.db2.gz NBERUNBWABJTFI-QWRGUYRKSA-N 2 2 253.346 0.643 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000562496610 291155730 /nfs/dbraw/zinc/15/57/30/291155730.db2.gz UVNWVRYOSUXDKZ-PWSUYJOCSA-N 2 2 262.357 0.941 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000562496610 291155731 /nfs/dbraw/zinc/15/57/31/291155731.db2.gz UVNWVRYOSUXDKZ-PWSUYJOCSA-N 2 2 262.357 0.941 20 0 CCADLP Cn1cc[nH+]c1CN1C(=O)N[C@@]2(CCCC[C@@H]2C[NH3+])C1=O ZINC000568387036 358669689 /nfs/dbraw/zinc/66/96/89/358669689.db2.gz KPQVYDCYHXZMLJ-QMTHXVAHSA-N 2 2 291.355 0.360 20 0 CCADLP [NH3+]C[C@@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)CCCO1 ZINC000569339057 358754578 /nfs/dbraw/zinc/75/45/78/358754578.db2.gz LOXYJJCNVPLWOV-GFCCVEGCSA-N 2 2 274.324 0.524 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000569464868 358766008 /nfs/dbraw/zinc/76/60/08/358766008.db2.gz VSGDXNHYVKWITN-WCQYABFASA-N 2 2 272.352 0.734 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000569464868 358766010 /nfs/dbraw/zinc/76/60/10/358766010.db2.gz VSGDXNHYVKWITN-WCQYABFASA-N 2 2 272.352 0.734 20 0 CCADLP Cc1ncncc1[C@@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000568879019 358713764 /nfs/dbraw/zinc/71/37/64/358713764.db2.gz DMALKFNBLIBLDA-YPMHNXCESA-N 2 2 263.389 0.681 20 0 CCADLP Cc1ncncc1[C@@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000568879019 358713767 /nfs/dbraw/zinc/71/37/67/358713767.db2.gz DMALKFNBLIBLDA-YPMHNXCESA-N 2 2 263.389 0.681 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cn2cc3ccccc3n2)[C@H](C[NH3+])C1 ZINC000570093416 358821878 /nfs/dbraw/zinc/82/18/78/358821878.db2.gz REORKNNWENVTPM-CYBMUJFWSA-N 2 2 287.367 0.138 20 0 CCADLP C[N@H+]1CCN(C(=O)Cn2cc3ccccc3n2)[C@H](C[NH3+])C1 ZINC000570093416 358821882 /nfs/dbraw/zinc/82/18/82/358821882.db2.gz REORKNNWENVTPM-CYBMUJFWSA-N 2 2 287.367 0.138 20 0 CCADLP CCOCC[N@@H+]1CCN(C(=O)[C@@H](C)[NH+]2CC(C)C2)C[C@@H]1C ZINC000570582274 358872838 /nfs/dbraw/zinc/87/28/38/358872838.db2.gz RGSWAHOSCZZDAI-LSDHHAIUSA-N 2 2 297.443 0.896 20 0 CCADLP CCOCC[N@H+]1CCN(C(=O)[C@@H](C)[NH+]2CC(C)C2)C[C@@H]1C ZINC000570582274 358872839 /nfs/dbraw/zinc/87/28/39/358872839.db2.gz RGSWAHOSCZZDAI-LSDHHAIUSA-N 2 2 297.443 0.896 20 0 CCADLP CCn1ncnc1C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000570632892 358876751 /nfs/dbraw/zinc/87/67/51/358876751.db2.gz GAKYOLNGBJFEGK-GFCCVEGCSA-N 2 2 279.388 0.485 20 0 CCADLP CCn1ncnc1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000570632892 358876753 /nfs/dbraw/zinc/87/67/53/358876753.db2.gz GAKYOLNGBJFEGK-GFCCVEGCSA-N 2 2 279.388 0.485 20 0 CCADLP CC(C)Cn1cc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000573426614 358965379 /nfs/dbraw/zinc/96/53/79/358965379.db2.gz PHSARXMRXMHNAC-ZDUSSCGKSA-N 2 2 294.403 0.646 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CCN(c3[nH]cc[nH+]3)CC2)CCO1 ZINC000573455675 358968807 /nfs/dbraw/zinc/96/88/07/358968807.db2.gz MTPHGKHCMUTOCW-CYBMUJFWSA-N 2 2 279.388 0.252 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CCN(c3[nH]cc[nH+]3)CC2)CCO1 ZINC000573455675 358968809 /nfs/dbraw/zinc/96/88/09/358968809.db2.gz MTPHGKHCMUTOCW-CYBMUJFWSA-N 2 2 279.388 0.252 20 0 CCADLP C[C@@H]1CN(CC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)CCO1 ZINC000573455675 358968812 /nfs/dbraw/zinc/96/88/12/358968812.db2.gz MTPHGKHCMUTOCW-CYBMUJFWSA-N 2 2 279.388 0.252 20 0 CCADLP CC(=O)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000574020723 359020887 /nfs/dbraw/zinc/02/08/87/359020887.db2.gz WZCGGSLAANSOAF-AWEZNQCLSA-N 2 2 290.367 0.996 20 0 CCADLP CC(=O)c1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000574020723 359020889 /nfs/dbraw/zinc/02/08/89/359020889.db2.gz WZCGGSLAANSOAF-AWEZNQCLSA-N 2 2 290.367 0.996 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCC(F)(F)F)C[C@@H](C)O1 ZINC000574151454 359032730 /nfs/dbraw/zinc/03/27/30/359032730.db2.gz MWYRLNOBHIQBFK-MXWKQRLJSA-N 2 2 284.322 0.999 20 0 CCADLP Cc1nn(C)c(N2CCOCC2)c1C[N@H+](C)C1CC([NH3+])C1 ZINC000574158027 359033340 /nfs/dbraw/zinc/03/33/40/359033340.db2.gz JMHRRIWWNITWON-UHFFFAOYSA-N 2 2 293.415 0.487 20 0 CCADLP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+](C)C1CC([NH3+])C1 ZINC000574158027 359033342 /nfs/dbraw/zinc/03/33/42/359033342.db2.gz JMHRRIWWNITWON-UHFFFAOYSA-N 2 2 293.415 0.487 20 0 CCADLP Cc1n[nH]cc1C[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000574191701 359037848 /nfs/dbraw/zinc/03/78/48/359037848.db2.gz IHAISXJPPCMIEW-MJVIPROJSA-N 2 2 282.388 0.278 20 0 CCADLP Cc1cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)ccc1F ZINC000573578004 358981854 /nfs/dbraw/zinc/98/18/54/358981854.db2.gz AOUXZPYEERTYKT-JSGCOSHPSA-N 2 2 277.343 0.878 20 0 CCADLP Cc1cc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)ccc1F ZINC000573578004 358981858 /nfs/dbraw/zinc/98/18/58/358981858.db2.gz AOUXZPYEERTYKT-JSGCOSHPSA-N 2 2 277.343 0.878 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)n1C ZINC000573743915 358996747 /nfs/dbraw/zinc/99/67/47/358996747.db2.gz VQWPHXZSBBUSRD-XWIASGKRSA-N 2 2 262.357 0.827 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000580883853 359103982 /nfs/dbraw/zinc/10/39/82/359103982.db2.gz DJVDDPBMAUIOKW-RYUDHWBXSA-N 2 2 277.372 0.723 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000580953691 359114275 /nfs/dbraw/zinc/11/42/75/359114275.db2.gz BRPBZFBDJFXNPU-GFCCVEGCSA-N 2 2 271.405 0.588 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000580953691 359114280 /nfs/dbraw/zinc/11/42/80/359114280.db2.gz BRPBZFBDJFXNPU-GFCCVEGCSA-N 2 2 271.405 0.588 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N(C)CCC[NH3+] ZINC000584666497 359190356 /nfs/dbraw/zinc/19/03/56/359190356.db2.gz XTCGXDDSSCFEEI-JTQLQIEISA-N 2 2 253.350 0.954 20 0 CCADLP CSC[C@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000585718338 359266262 /nfs/dbraw/zinc/26/62/62/359266262.db2.gz CYUWVETXTLGHFB-ZIAGYGMSSA-N 2 2 288.457 0.897 20 0 CCADLP CSC[C@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000585718338 359266267 /nfs/dbraw/zinc/26/62/67/359266267.db2.gz CYUWVETXTLGHFB-ZIAGYGMSSA-N 2 2 288.457 0.897 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000296986795 200054941 /nfs/dbraw/zinc/05/49/41/200054941.db2.gz FWQUEIOUSRQDRD-UHFFFAOYSA-N 2 2 294.399 0.761 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000296986795 200054943 /nfs/dbraw/zinc/05/49/43/200054943.db2.gz FWQUEIOUSRQDRD-UHFFFAOYSA-N 2 2 294.399 0.761 20 0 CCADLP C[NH+](C)C[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CCO1 ZINC000493109228 237394295 /nfs/dbraw/zinc/39/42/95/237394295.db2.gz UXTMJBFMIHZYLW-PGLGOXFNSA-N 2 2 264.329 0.212 20 0 CCADLP CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H]([NH3+])C(C)C)C2)CC1 ZINC000592134436 359762984 /nfs/dbraw/zinc/76/29/84/359762984.db2.gz VBKJSAINIONCMB-LSDHHAIUSA-N 2 2 296.459 0.598 20 0 CCADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NCC(C)C)CC[C@H]1[NH3+] ZINC000592487950 359854550 /nfs/dbraw/zinc/85/45/50/359854550.db2.gz DICCTSBVQBITPG-YNEHKIRRSA-N 2 2 298.431 0.916 20 0 CCADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NCC(C)C)CC[C@H]1[NH3+] ZINC000592487950 359854555 /nfs/dbraw/zinc/85/45/55/359854555.db2.gz DICCTSBVQBITPG-YNEHKIRRSA-N 2 2 298.431 0.916 20 0 CCADLP COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000592530746 359872380 /nfs/dbraw/zinc/87/23/80/359872380.db2.gz GKYWRZFUATUDDC-WCQYABFASA-N 2 2 289.335 0.690 20 0 CCADLP COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000592530746 359872387 /nfs/dbraw/zinc/87/23/87/359872387.db2.gz GKYWRZFUATUDDC-WCQYABFASA-N 2 2 289.335 0.690 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC(CC[NH3+])CC1 ZINC000563270894 291211267 /nfs/dbraw/zinc/21/12/67/291211267.db2.gz DAEVHIQKBPZBBD-ZDUSSCGKSA-N 2 2 298.431 0.478 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC(CC[NH3+])CC1 ZINC000563270894 291211268 /nfs/dbraw/zinc/21/12/68/291211268.db2.gz DAEVHIQKBPZBBD-ZDUSSCGKSA-N 2 2 298.431 0.478 20 0 CCADLP CC(C)SCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593048228 360020416 /nfs/dbraw/zinc/02/04/16/360020416.db2.gz CSJJUNBYYMJGOB-UHFFFAOYSA-N 2 2 273.446 0.834 20 0 CCADLP CC(C)SCC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593048228 360020417 /nfs/dbraw/zinc/02/04/17/360020417.db2.gz CSJJUNBYYMJGOB-UHFFFAOYSA-N 2 2 273.446 0.834 20 0 CCADLP CCO[C@@H]1C[N@H+](Cc2cc(C(=O)OC)co2)C[C@H]1C[NH3+] ZINC000593315731 360064773 /nfs/dbraw/zinc/06/47/73/360064773.db2.gz LHMPTWOXMWMYDU-DGCLKSJQSA-N 2 2 282.340 0.862 20 0 CCADLP CCO[C@@H]1C[N@@H+](Cc2cc(C(=O)OC)co2)C[C@H]1C[NH3+] ZINC000593315731 360064777 /nfs/dbraw/zinc/06/47/77/360064777.db2.gz LHMPTWOXMWMYDU-DGCLKSJQSA-N 2 2 282.340 0.862 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000563353513 291215818 /nfs/dbraw/zinc/21/58/18/291215818.db2.gz ISPWWLWJGLGUAG-NSHDSACASA-N 2 2 283.376 0.002 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000563353513 291215820 /nfs/dbraw/zinc/21/58/20/291215820.db2.gz ISPWWLWJGLGUAG-NSHDSACASA-N 2 2 283.376 0.002 20 0 CCADLP COC(=O)c1ccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)s1 ZINC000593906833 360204418 /nfs/dbraw/zinc/20/44/18/360204418.db2.gz KYVBXJMPUKAMQC-SNVBAGLBSA-N 2 2 299.396 0.430 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000595142210 360442897 /nfs/dbraw/zinc/44/28/97/360442897.db2.gz PHIMQDUJAKUTPF-NWDGAFQWSA-N 2 2 260.345 0.800 20 0 CCADLP Cc1ccc2[nH+]c(CN3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)cn2c1 ZINC000594875163 360407138 /nfs/dbraw/zinc/40/71/38/360407138.db2.gz ZFCVSJWBHBIOBD-UONOGXRCSA-N 2 2 299.378 0.387 20 0 CCADLP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000594927319 360417569 /nfs/dbraw/zinc/41/75/69/360417569.db2.gz WFKUCLYJLSVSSM-FRRDWIJNSA-N 2 2 284.400 0.884 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000594927320 360418174 /nfs/dbraw/zinc/41/81/74/360418174.db2.gz WFKUCLYJLSVSSM-JHJVBQTASA-N 2 2 284.400 0.884 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000594989345 360431278 /nfs/dbraw/zinc/43/12/78/360431278.db2.gz WUXPYUNTPFYHBS-LBPRGKRZSA-N 2 2 277.372 0.704 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000594989345 360431283 /nfs/dbraw/zinc/43/12/83/360431283.db2.gz WUXPYUNTPFYHBS-LBPRGKRZSA-N 2 2 277.372 0.704 20 0 CCADLP C[N@@H+]1CC[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC000595706540 360626829 /nfs/dbraw/zinc/62/68/29/360626829.db2.gz YRMHMAKORLGWLI-GFCCVEGCSA-N 2 2 250.346 0.731 20 0 CCADLP C[N@H+]1CC[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC000595706540 360626833 /nfs/dbraw/zinc/62/68/33/360626833.db2.gz YRMHMAKORLGWLI-GFCCVEGCSA-N 2 2 250.346 0.731 20 0 CCADLP CCOC(=O)C12CC(C1)C[N@@H+]2CCc1c[nH+]cn1C ZINC000595870103 360686141 /nfs/dbraw/zinc/68/61/41/360686141.db2.gz HMUHQFFUJFKZIY-UHFFFAOYSA-N 2 2 263.341 0.990 20 0 CCADLP CCOC(=O)C12CC(C1)C[N@H+]2CCc1c[nH+]cn1C ZINC000595870103 360686143 /nfs/dbraw/zinc/68/61/43/360686143.db2.gz HMUHQFFUJFKZIY-UHFFFAOYSA-N 2 2 263.341 0.990 20 0 CCADLP Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1CC[NH2+]C1 ZINC000178458077 189117961 /nfs/dbraw/zinc/11/79/61/189117961.db2.gz XMMYMRGHGXXVHT-LLVKDONJSA-N 2 2 258.325 0.823 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000595892018 360692411 /nfs/dbraw/zinc/69/24/11/360692411.db2.gz JREOSLSNQIMLTL-HNNXBMFYSA-N 2 2 290.363 0.706 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000595892018 360692414 /nfs/dbraw/zinc/69/24/14/360692414.db2.gz JREOSLSNQIMLTL-HNNXBMFYSA-N 2 2 290.363 0.706 20 0 CCADLP O=C(N[C@H]1CCC[NH2+]C1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000178399712 189113220 /nfs/dbraw/zinc/11/32/20/189113220.db2.gz JUVJGQSFCYDELM-LBPRGKRZSA-N 2 2 271.324 0.749 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(O)Cc2ccccc2C1 ZINC000563528174 291234695 /nfs/dbraw/zinc/23/46/95/291234695.db2.gz ARJWLTAUWYRJCL-BBRMVZONSA-N 2 2 290.407 0.873 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000595927013 360707872 /nfs/dbraw/zinc/70/78/72/360707872.db2.gz NAPWFQMNOZOJKJ-NWDGAFQWSA-N 2 2 285.388 0.080 20 0 CCADLP O=C([C@@H]1CCC[NH2+]C1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000167317482 296019589 /nfs/dbraw/zinc/01/95/89/296019589.db2.gz TWYDOCPUBWZOMH-CABCVRRESA-N 2 2 295.427 0.699 20 0 CCADLP C[NH2+]CCCC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000178697071 189138298 /nfs/dbraw/zinc/13/82/98/189138298.db2.gz UKGMDVJCEXDIDN-UHFFFAOYSA-N 2 2 273.340 0.883 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC000178729111 189141082 /nfs/dbraw/zinc/14/10/82/189141082.db2.gz WMIRDTKQTUZRCA-CQSZACIVSA-N 2 2 291.399 0.122 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC000178729111 189141083 /nfs/dbraw/zinc/14/10/83/189141083.db2.gz WMIRDTKQTUZRCA-CQSZACIVSA-N 2 2 291.399 0.122 20 0 CCADLP Cn1cc(N2CC[N@H+](CC3CC[NH2+]CC3)CC2=O)cn1 ZINC000178974179 189158931 /nfs/dbraw/zinc/15/89/31/189158931.db2.gz PPUQWHMCQYIWTQ-UHFFFAOYSA-N 2 2 277.372 0.068 20 0 CCADLP Cn1cc(N2CC[N@@H+](CC3CC[NH2+]CC3)CC2=O)cn1 ZINC000178974179 189158932 /nfs/dbraw/zinc/15/89/32/189158932.db2.gz PPUQWHMCQYIWTQ-UHFFFAOYSA-N 2 2 277.372 0.068 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1nncs1 ZINC000179163663 189173857 /nfs/dbraw/zinc/17/38/57/189173857.db2.gz QTOCUCRTNNDCPV-UHFFFAOYSA-N 2 2 280.357 0.695 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1nncs1 ZINC000179163663 189173858 /nfs/dbraw/zinc/17/38/58/189173858.db2.gz QTOCUCRTNNDCPV-UHFFFAOYSA-N 2 2 280.357 0.695 20 0 CCADLP CN(C(=O)c1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CC[NH2+]C1 ZINC000179110877 189170505 /nfs/dbraw/zinc/17/05/05/189170505.db2.gz RABBYJFITCGIEA-GFCCVEGCSA-N 2 2 271.324 0.701 20 0 CCADLP O=C(NCCN1CC[NH2+]CC1)Nc1ccc2[nH+]ccn2c1 ZINC000563607942 291241248 /nfs/dbraw/zinc/24/12/48/291241248.db2.gz OTNPHFULCPAIEI-UHFFFAOYSA-N 2 2 288.355 0.361 20 0 CCADLP Cn1c2c(cccc2F)nc1N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000563647332 291245136 /nfs/dbraw/zinc/24/51/36/291245136.db2.gz KZMLQJSMOQFKFN-SNVBAGLBSA-N 2 2 277.347 0.792 20 0 CCADLP Cn1c2c(cccc2F)nc1N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000563647332 291245138 /nfs/dbraw/zinc/24/51/38/291245138.db2.gz KZMLQJSMOQFKFN-SNVBAGLBSA-N 2 2 277.347 0.792 20 0 CCADLP COC(=O)[C@H](O)C1CC[NH+](Cc2c[nH+]c(C)n2C)CC1 ZINC000597027288 360995423 /nfs/dbraw/zinc/99/54/23/360995423.db2.gz CQAFRTCZNXPPFM-CYBMUJFWSA-N 2 2 281.356 0.474 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1F ZINC000597086948 361006136 /nfs/dbraw/zinc/00/61/36/361006136.db2.gz PIGXFBMTWWVTNN-HNNXBMFYSA-N 2 2 296.342 0.769 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1F ZINC000597086948 361006140 /nfs/dbraw/zinc/00/61/40/361006140.db2.gz PIGXFBMTWWVTNN-HNNXBMFYSA-N 2 2 296.342 0.769 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+]2CCO[C@@H](C)C2)C1 ZINC000563725810 291249280 /nfs/dbraw/zinc/24/92/80/291249280.db2.gz NOHVZVGMKBDHPM-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+]2CCO[C@@H](C)C2)C1 ZINC000563725810 291249283 /nfs/dbraw/zinc/24/92/83/291249283.db2.gz NOHVZVGMKBDHPM-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000563725810 291249285 /nfs/dbraw/zinc/24/92/85/291249285.db2.gz NOHVZVGMKBDHPM-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CCS(=O)(=O)NC)C[C@H]1C ZINC000621261340 366687521 /nfs/dbraw/zinc/68/75/21/366687521.db2.gz MVDBSLCHRKYNPV-NEPJUHHUSA-N 2 2 277.434 0.340 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CCS(=O)(=O)NC)C[C@H]1C ZINC000621261340 366687523 /nfs/dbraw/zinc/68/75/23/366687523.db2.gz MVDBSLCHRKYNPV-NEPJUHHUSA-N 2 2 277.434 0.340 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CCS(=O)(=O)NC)C[C@H]1C ZINC000621261340 366687524 /nfs/dbraw/zinc/68/75/24/366687524.db2.gz MVDBSLCHRKYNPV-NEPJUHHUSA-N 2 2 277.434 0.340 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CCS(=O)(=O)NC)C[C@H]1C ZINC000621261340 366687528 /nfs/dbraw/zinc/68/75/28/366687528.db2.gz MVDBSLCHRKYNPV-NEPJUHHUSA-N 2 2 277.434 0.340 20 0 CCADLP CCc1ncc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])s1 ZINC000563889628 291256753 /nfs/dbraw/zinc/25/67/53/291256753.db2.gz ZTQBXCJISRLKPS-JTQLQIEISA-N 2 2 254.403 0.780 20 0 CCADLP CCc1ncc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])s1 ZINC000563889628 291256755 /nfs/dbraw/zinc/25/67/55/291256755.db2.gz ZTQBXCJISRLKPS-JTQLQIEISA-N 2 2 254.403 0.780 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000564035379 291262923 /nfs/dbraw/zinc/26/29/23/291262923.db2.gz HILYJNWLVWHVQE-INIZCTEOSA-N 2 2 293.411 0.827 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000564035379 291262924 /nfs/dbraw/zinc/26/29/24/291262924.db2.gz HILYJNWLVWHVQE-INIZCTEOSA-N 2 2 293.411 0.827 20 0 CCADLP O=C1[C@H]([N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CCN1C1CCC1 ZINC000631826543 370692768 /nfs/dbraw/zinc/69/27/68/370692768.db2.gz QKDUUMJQHVCBHI-MRVWCRGKSA-N 2 2 263.385 0.824 20 0 CCADLP O=C1[C@H]([N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CCN1C1CCC1 ZINC000631826543 370692774 /nfs/dbraw/zinc/69/27/74/370692774.db2.gz QKDUUMJQHVCBHI-MRVWCRGKSA-N 2 2 263.385 0.824 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)CCCO1 ZINC000631828689 370694029 /nfs/dbraw/zinc/69/40/29/370694029.db2.gz VUCVEWDXHNJTIK-QWHCGFSZSA-N 2 2 267.373 0.189 20 0 CCADLP [NH3+]C[C@H]1C[N@H+]([C@@H]2CCN(C3CCC3)C2=O)CCCO1 ZINC000631828689 370694032 /nfs/dbraw/zinc/69/40/32/370694032.db2.gz VUCVEWDXHNJTIK-QWHCGFSZSA-N 2 2 267.373 0.189 20 0 CCADLP C[C@H]1CC[N@H+](CCNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000611750134 363775923 /nfs/dbraw/zinc/77/59/23/363775923.db2.gz ODZMNFWRTCKWAM-RYUDHWBXSA-N 2 2 276.384 0.973 20 0 CCADLP C[C@H]1CC[N@@H+](CCNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000611750134 363775924 /nfs/dbraw/zinc/77/59/24/363775924.db2.gz ODZMNFWRTCKWAM-RYUDHWBXSA-N 2 2 276.384 0.973 20 0 CCADLP C[C@H]1CC[N@H+](CCNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000611750134 363775927 /nfs/dbraw/zinc/77/59/27/363775927.db2.gz ODZMNFWRTCKWAM-RYUDHWBXSA-N 2 2 276.384 0.973 20 0 CCADLP C[C@H]1CC[N@@H+](CCNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000611750134 363775929 /nfs/dbraw/zinc/77/59/29/363775929.db2.gz ODZMNFWRTCKWAM-RYUDHWBXSA-N 2 2 276.384 0.973 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000598990715 361547078 /nfs/dbraw/zinc/54/70/78/361547078.db2.gz RQWWWZYGORGDPD-LPWJVIDDSA-N 2 2 297.399 0.113 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000598990715 361547082 /nfs/dbraw/zinc/54/70/82/361547082.db2.gz RQWWWZYGORGDPD-LPWJVIDDSA-N 2 2 297.399 0.113 20 0 CCADLP C(C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000564458293 291281155 /nfs/dbraw/zinc/28/11/55/291281155.db2.gz QZWHIZNTHVDUOV-GJZGRUSLSA-N 3 2 267.417 0.640 20 0 CCADLP C(C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000564458293 291281157 /nfs/dbraw/zinc/28/11/57/291281157.db2.gz QZWHIZNTHVDUOV-GJZGRUSLSA-N 3 2 267.417 0.640 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CCN2CCOC[C@@H]2C)n1C ZINC000564470117 291282241 /nfs/dbraw/zinc/28/22/41/291282241.db2.gz FACCEYWCZJIJJP-NSHDSACASA-N 2 2 252.362 0.539 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000564503097 291282670 /nfs/dbraw/zinc/28/26/70/291282670.db2.gz YZBSWOPGJBFFJK-GFCCVEGCSA-N 2 2 250.346 0.730 20 0 CCADLP CC(C)[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000564503097 291282671 /nfs/dbraw/zinc/28/26/71/291282671.db2.gz YZBSWOPGJBFFJK-GFCCVEGCSA-N 2 2 250.346 0.730 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000599290451 361635960 /nfs/dbraw/zinc/63/59/60/361635960.db2.gz OWGXCPOEKNMOFF-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000599290451 361635962 /nfs/dbraw/zinc/63/59/62/361635962.db2.gz OWGXCPOEKNMOFF-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)CN[C@@H]2CC[NH+](C3CC3)C2)C[C@H](C)O1 ZINC000564562711 291284484 /nfs/dbraw/zinc/28/44/84/291284484.db2.gz DVPLTQRGCALFKW-HLPPOEQASA-N 2 2 297.443 0.283 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H](C)O1 ZINC000564562711 291284491 /nfs/dbraw/zinc/28/44/91/291284491.db2.gz DVPLTQRGCALFKW-HLPPOEQASA-N 2 2 297.443 0.283 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN[C@@H]2CC[N@H+](C3CC3)C2)C[C@H](C)O1 ZINC000564562711 291284492 /nfs/dbraw/zinc/28/44/92/291284492.db2.gz DVPLTQRGCALFKW-HLPPOEQASA-N 2 2 297.443 0.283 20 0 CCADLP CCOC(=O)C[C@@H](O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000599328876 361653547 /nfs/dbraw/zinc/65/35/47/361653547.db2.gz APWNYUTWBOUSQN-NWDGAFQWSA-N 2 2 281.356 0.903 20 0 CCADLP CCOC(=O)C[C@@H](O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000599328876 361653551 /nfs/dbraw/zinc/65/35/51/361653551.db2.gz APWNYUTWBOUSQN-NWDGAFQWSA-N 2 2 281.356 0.903 20 0 CCADLP C[C@@H]1OCC[C@@H]1C[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000631829233 370696381 /nfs/dbraw/zinc/69/63/81/370696381.db2.gz LKJIVHKOXVMWGE-UZGDPCLZSA-N 2 2 264.373 0.572 20 0 CCADLP C[C@@H]1OCC[C@@H]1C[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000631829233 370696385 /nfs/dbraw/zinc/69/63/85/370696385.db2.gz LKJIVHKOXVMWGE-UZGDPCLZSA-N 2 2 264.373 0.572 20 0 CCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)COC1C[NH2+]C1 ZINC000564658495 291291865 /nfs/dbraw/zinc/29/18/65/291291865.db2.gz XONJFUKLUZUBMI-UHFFFAOYSA-N 2 2 278.356 0.166 20 0 CCADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H]2COC[C@H]2O)C1 ZINC000564666342 291292886 /nfs/dbraw/zinc/29/28/86/291292886.db2.gz IEKXOCYCJNASGH-JHJVBQTASA-N 2 2 265.357 0.842 20 0 CCADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H]2COC[C@H]2O)C1 ZINC000564666342 291292888 /nfs/dbraw/zinc/29/28/88/291292888.db2.gz IEKXOCYCJNASGH-JHJVBQTASA-N 2 2 265.357 0.842 20 0 CCADLP Cn1cc[nH+]c1N1CCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC000612451085 363926242 /nfs/dbraw/zinc/92/62/42/363926242.db2.gz CNZUQCBDEKQSKO-UHFFFAOYSA-N 2 2 277.372 0.163 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N[C@]2(C)CC[NH2+]C2)c1 ZINC000612908451 364041557 /nfs/dbraw/zinc/04/15/57/364041557.db2.gz MLGQKHIJRHWOFH-GFCCVEGCSA-N 2 2 251.334 0.014 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000564798847 291301310 /nfs/dbraw/zinc/30/13/10/291301310.db2.gz XCUWHROCDQQNRZ-IUCAKERBSA-N 2 2 280.328 0.271 20 0 CCADLP C[C@@H]1C[N@@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)C[C@H]1C[NH3+] ZINC000631838554 370703727 /nfs/dbraw/zinc/70/37/27/370703727.db2.gz QHHDMZUIPTXTJY-WZRBSPASSA-N 2 2 277.372 0.052 20 0 CCADLP C[C@@H]1C[N@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)C[C@H]1C[NH3+] ZINC000631838554 370703735 /nfs/dbraw/zinc/70/37/35/370703735.db2.gz QHHDMZUIPTXTJY-WZRBSPASSA-N 2 2 277.372 0.052 20 0 CCADLP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631866638 370725781 /nfs/dbraw/zinc/72/57/81/370725781.db2.gz UNPYSNBDKVLYKW-AWEZNQCLSA-N 2 2 297.443 0.680 20 0 CCADLP C[C@@H]1CN(S(=O)(=O)CC2([NH+](C)C)CC2)[C@@H](C)C[NH2+]1 ZINC000631929812 370763508 /nfs/dbraw/zinc/76/35/08/370763508.db2.gz OUCFJAXHFKNLGO-MNOVXSKESA-N 2 2 275.418 0.093 20 0 CCADLP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)NCC1CC1 ZINC000631886052 370736662 /nfs/dbraw/zinc/73/66/62/370736662.db2.gz DQGQICVCBVPQBA-QWHCGFSZSA-N 2 2 251.374 0.587 20 0 CCADLP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)NCC1CC1 ZINC000631886052 370736670 /nfs/dbraw/zinc/73/66/70/370736670.db2.gz DQGQICVCBVPQBA-QWHCGFSZSA-N 2 2 251.374 0.587 20 0 CCADLP C(CN1CCOCC1)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631888928 370737732 /nfs/dbraw/zinc/73/77/32/370737732.db2.gz DIBHGEKYMKUWFG-HUUCEWRRSA-N 2 2 267.417 0.783 20 0 CCADLP C(CN1CCOCC1)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631888928 370737735 /nfs/dbraw/zinc/73/77/35/370737735.db2.gz DIBHGEKYMKUWFG-HUUCEWRRSA-N 2 2 267.417 0.783 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCOCC[NH+](C)C ZINC000613284833 364198351 /nfs/dbraw/zinc/19/83/51/364198351.db2.gz PHVVJUQWTWSPSP-VXGBXAGGSA-N 2 2 280.372 0.218 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631890628 370739085 /nfs/dbraw/zinc/73/90/85/370739085.db2.gz UGBCWBRZYVKLKO-QWHCGFSZSA-N 2 2 269.389 0.213 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631890628 370739091 /nfs/dbraw/zinc/73/90/91/370739091.db2.gz UGBCWBRZYVKLKO-QWHCGFSZSA-N 2 2 269.389 0.213 20 0 CCADLP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)NCc1cccnc1 ZINC000631889334 370739531 /nfs/dbraw/zinc/73/95/31/370739531.db2.gz IXVIVLTUIXFHRG-LSDHHAIUSA-N 2 2 288.395 0.772 20 0 CCADLP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)NCc1cccnc1 ZINC000631889334 370739540 /nfs/dbraw/zinc/73/95/40/370739540.db2.gz IXVIVLTUIXFHRG-LSDHHAIUSA-N 2 2 288.395 0.772 20 0 CCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)N1CCn2c[nH+]cc2C1 ZINC000564841801 291305844 /nfs/dbraw/zinc/30/58/44/291305844.db2.gz NCLMDXDXDXGHJS-JTQLQIEISA-N 2 2 299.325 0.653 20 0 CCADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)C1([NH+](C)C)CC1 ZINC000613603017 364310835 /nfs/dbraw/zinc/31/08/35/364310835.db2.gz OATGHFFOMJDFGC-ZDUSSCGKSA-N 2 2 282.432 0.223 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)C2([NH+](C)C)CC2)CC[N@@H+]1C ZINC000613968343 364451045 /nfs/dbraw/zinc/45/10/45/364451045.db2.gz PUFPZPNZNBLVMQ-LBPRGKRZSA-N 2 2 253.390 0.879 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)C2([NH+](C)C)CC2)CC[N@H+]1C ZINC000613968343 364451047 /nfs/dbraw/zinc/45/10/47/364451047.db2.gz PUFPZPNZNBLVMQ-LBPRGKRZSA-N 2 2 253.390 0.879 20 0 CCADLP C[NH+]1CC2(C1)CCN(C(=O)C1([NH+]3CCOCC3)CCC1)C2 ZINC000614038346 364470455 /nfs/dbraw/zinc/47/04/55/364470455.db2.gz OZMXWSSWOZHGCL-UHFFFAOYSA-N 2 2 293.411 0.405 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000614091591 364499657 /nfs/dbraw/zinc/49/96/57/364499657.db2.gz WJWLQHLQXNQLRK-NEPJUHHUSA-N 2 2 266.320 0.528 20 0 CCADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621779962 366865136 /nfs/dbraw/zinc/86/51/36/366865136.db2.gz LKIITQGEYGHZKN-OUCADQQQSA-N 2 2 253.390 0.960 20 0 CCADLP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621779962 366865140 /nfs/dbraw/zinc/86/51/40/366865140.db2.gz LKIITQGEYGHZKN-OUCADQQQSA-N 2 2 253.390 0.960 20 0 CCADLP C[C@H]1CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@H]1CO ZINC000621736748 366856361 /nfs/dbraw/zinc/85/63/61/366856361.db2.gz GDVSEQUVUYBXLR-RYUDHWBXSA-N 2 2 266.389 0.936 20 0 CCADLP C[C@H]1CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@H]1CO ZINC000621736748 366856364 /nfs/dbraw/zinc/85/63/64/366856364.db2.gz GDVSEQUVUYBXLR-RYUDHWBXSA-N 2 2 266.389 0.936 20 0 CCADLP C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+](C)C2CC([NH3+])C2)C1 ZINC000335659893 212378374 /nfs/dbraw/zinc/37/83/74/212378374.db2.gz NUEMHNDIFNMSLA-MPEURRAXSA-N 2 2 253.390 0.912 20 0 CCADLP C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+](C)C2CC([NH3+])C2)C1 ZINC000335659893 212378375 /nfs/dbraw/zinc/37/83/75/212378375.db2.gz NUEMHNDIFNMSLA-MPEURRAXSA-N 2 2 253.390 0.912 20 0 CCADLP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@H]([NH3+])c2cscn2)C1 ZINC000564958491 291326347 /nfs/dbraw/zinc/32/63/47/291326347.db2.gz NCOFJIOZULAZNA-MWLCHTKSSA-N 2 2 272.349 0.303 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000335610584 212322820 /nfs/dbraw/zinc/32/28/20/212322820.db2.gz YWXGQMPQSPGXAK-NXEZZACHSA-N 2 2 251.334 0.489 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615558320 365006387 /nfs/dbraw/zinc/00/63/87/365006387.db2.gz MYBDQRXZBFMUSC-CQSZACIVSA-N 2 2 292.383 0.515 20 0 CCADLP C[NH+](C)C1(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000616342356 365277411 /nfs/dbraw/zinc/27/74/11/365277411.db2.gz ZVVGQUSRZZCNST-LLVKDONJSA-N 2 2 262.357 0.656 20 0 CCADLP C[NH+](C)C1(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000616342357 365277870 /nfs/dbraw/zinc/27/78/70/365277870.db2.gz ZVVGQUSRZZCNST-NSHDSACASA-N 2 2 262.357 0.656 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621785090 366868102 /nfs/dbraw/zinc/86/81/02/366868102.db2.gz ZFLBBLNMBLKNOV-QAETUUGQSA-N 3 2 289.423 0.731 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621785090 366868104 /nfs/dbraw/zinc/86/81/04/366868104.db2.gz ZFLBBLNMBLKNOV-QAETUUGQSA-N 3 2 289.423 0.731 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000621858765 366898145 /nfs/dbraw/zinc/89/81/45/366898145.db2.gz CQSQPNNTNJGMJL-NSHDSACASA-N 2 2 280.372 0.212 20 0 CCADLP C[NH+](C)CC[C@](C)(O)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000621959686 366949999 /nfs/dbraw/zinc/94/99/99/366949999.db2.gz CBJGTICIESVYJR-WFASDCNBSA-N 2 2 294.399 0.264 20 0 CCADLP C[NH2+][C@@H](C)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000565217084 291362316 /nfs/dbraw/zinc/36/23/16/291362316.db2.gz XYSDKEOLENWQRR-ZDUSSCGKSA-N 2 2 290.411 0.980 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2c[nH]c[nH+]2)C1 ZINC000622104798 367031151 /nfs/dbraw/zinc/03/11/51/367031151.db2.gz GHVDRJHFGMSLQP-JTQLQIEISA-N 2 2 250.346 0.898 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)C(C)(C)c2c[nH]c[nH+]2)C1 ZINC000622104798 367031156 /nfs/dbraw/zinc/03/11/56/367031156.db2.gz GHVDRJHFGMSLQP-JTQLQIEISA-N 2 2 250.346 0.898 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000622104798 367031165 /nfs/dbraw/zinc/03/11/65/367031165.db2.gz GHVDRJHFGMSLQP-JTQLQIEISA-N 2 2 250.346 0.898 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000622104798 367031171 /nfs/dbraw/zinc/03/11/71/367031171.db2.gz GHVDRJHFGMSLQP-JTQLQIEISA-N 2 2 250.346 0.898 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000622341916 367121724 /nfs/dbraw/zinc/12/17/24/367121724.db2.gz UGGLPZGLOKWQSJ-NSHDSACASA-N 2 2 266.345 0.028 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000622341916 367121729 /nfs/dbraw/zinc/12/17/29/367121729.db2.gz UGGLPZGLOKWQSJ-NSHDSACASA-N 2 2 266.345 0.028 20 0 CCADLP C/C=C/C[C@H](CO)[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000566232634 291380757 /nfs/dbraw/zinc/38/07/57/291380757.db2.gz BISWKPQBVXPNCR-ZQFPVVCASA-N 2 2 286.416 0.373 20 0 CCADLP C/C=C/C[C@H](CO)[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000566232634 291380760 /nfs/dbraw/zinc/38/07/60/291380760.db2.gz BISWKPQBVXPNCR-ZQFPVVCASA-N 2 2 286.416 0.373 20 0 CCADLP C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000623175677 367463011 /nfs/dbraw/zinc/46/30/11/367463011.db2.gz GTJYBAWVNBUSQP-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623176337 367464525 /nfs/dbraw/zinc/46/45/25/367464525.db2.gz VRSZNUOHPMUBGW-NWDGAFQWSA-N 2 2 264.373 0.935 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1COCC[NH+]1C ZINC000623598144 367601404 /nfs/dbraw/zinc/60/14/04/367601404.db2.gz RIRGZTILPGZCAM-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1COCC[NH+]1C ZINC000623598144 367601411 /nfs/dbraw/zinc/60/14/11/367601411.db2.gz RIRGZTILPGZCAM-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH+]1CCCC[C@H]1CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623598144 367601419 /nfs/dbraw/zinc/60/14/19/367601419.db2.gz RIRGZTILPGZCAM-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH+]1CCCC[C@H]1CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623598144 367601424 /nfs/dbraw/zinc/60/14/24/367601424.db2.gz RIRGZTILPGZCAM-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP Cc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)nc1 ZINC000623619000 367605687 /nfs/dbraw/zinc/60/56/87/367605687.db2.gz OCPMYFGTECAVJD-AWEZNQCLSA-N 2 2 276.384 0.819 20 0 CCADLP Cc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)nc1 ZINC000623619000 367605696 /nfs/dbraw/zinc/60/56/96/367605696.db2.gz OCPMYFGTECAVJD-AWEZNQCLSA-N 2 2 276.384 0.819 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H]2CCCC[NH+](C)C2)C1 ZINC000623570913 367594043 /nfs/dbraw/zinc/59/40/43/367594043.db2.gz IDEXJMUZYMLATB-ZIAGYGMSSA-N 2 2 298.431 0.348 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)NC[C@H]2CCCC[NH+](C)C2)C1 ZINC000623570913 367594048 /nfs/dbraw/zinc/59/40/48/367594048.db2.gz IDEXJMUZYMLATB-ZIAGYGMSSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH+]1CCO[C@H](CNC(=O)NC[C@H]2CCCC[N@H+](C)C2)C1 ZINC000623570913 367594053 /nfs/dbraw/zinc/59/40/53/367594053.db2.gz IDEXJMUZYMLATB-ZIAGYGMSSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH+]1CCO[C@H](CNC(=O)NC[C@H]2CCCC[N@@H+](C)C2)C1 ZINC000623570913 367594064 /nfs/dbraw/zinc/59/40/64/367594064.db2.gz IDEXJMUZYMLATB-ZIAGYGMSSA-N 2 2 298.431 0.348 20 0 CCADLP CC(=O)Nc1ccc(C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000623756850 367645327 /nfs/dbraw/zinc/64/53/27/367645327.db2.gz HQZILGJIVWMHSF-OAHLLOKOSA-N 2 2 277.368 0.801 20 0 CCADLP CC(=O)Nc1ccc(C[NH2+]CC[N@H+]2CC[C@@H](O)C2)cc1 ZINC000623756850 367645330 /nfs/dbraw/zinc/64/53/30/367645330.db2.gz HQZILGJIVWMHSF-OAHLLOKOSA-N 2 2 277.368 0.801 20 0 CCADLP C[C@@H]1[C@H]([NH2+]Cc2cccc3[nH+]ccn32)CCS1(=O)=O ZINC000623719857 367632736 /nfs/dbraw/zinc/63/27/36/367632736.db2.gz NCZONKQRDSJINJ-ZYHUDNBSSA-N 2 2 279.365 1.000 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)[C@H]1CCCO1 ZINC000624085823 367749478 /nfs/dbraw/zinc/74/94/78/367749478.db2.gz FBQIZKBOOQXSHA-FRRDWIJNSA-N 2 2 269.389 0.483 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)[C@H]1CCCO1 ZINC000624085823 367749486 /nfs/dbraw/zinc/74/94/86/367749486.db2.gz FBQIZKBOOQXSHA-FRRDWIJNSA-N 2 2 269.389 0.483 20 0 CCADLP C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+]1C)c1[nH+]ccn1C ZINC000624389346 367867332 /nfs/dbraw/zinc/86/73/32/367867332.db2.gz XSHIHBGASKPXBP-GHMZBOCLSA-N 2 2 265.361 0.875 20 0 CCADLP C[C@@H](NC(=O)NC[C@H]1CCC[N@H+]1C)c1[nH+]ccn1C ZINC000624389346 367867337 /nfs/dbraw/zinc/86/73/37/367867337.db2.gz XSHIHBGASKPXBP-GHMZBOCLSA-N 2 2 265.361 0.875 20 0 CCADLP O[C@H]1CCN(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000624339159 367840014 /nfs/dbraw/zinc/84/00/14/367840014.db2.gz MSPGKWBHNJGYRP-HOTGVXAUSA-N 2 2 297.443 0.286 20 0 CCADLP C[C@H]([C@@H]1CCC[NH2+]C1)[NH+]1CCN(c2nncn2C)CC1 ZINC000656199691 412763955 /nfs/dbraw/zinc/76/39/55/412763955.db2.gz AYFWITWEJZWAIL-CHWSQXEVSA-N 2 2 278.404 0.325 20 0 CCADLP COCCC1CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)CC1 ZINC000625630922 368279062 /nfs/dbraw/zinc/27/90/62/368279062.db2.gz XLWUIUZOUHPFKF-HNNXBMFYSA-N 2 2 288.432 0.674 20 0 CCADLP COCCC1CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)CC1 ZINC000625630922 368279066 /nfs/dbraw/zinc/27/90/66/368279066.db2.gz XLWUIUZOUHPFKF-HNNXBMFYSA-N 2 2 288.432 0.674 20 0 CCADLP CC1([NH+]2CCOCC2)CC[NH+](C[C@]2(O)CCCOC2)CC1 ZINC000625960511 368375503 /nfs/dbraw/zinc/37/55/03/368375503.db2.gz IAFMEICJVDWLEG-MRXNPFEDSA-N 2 2 298.427 0.715 20 0 CCADLP CNS(=O)(=O)C[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000626167242 368471134 /nfs/dbraw/zinc/47/11/34/368471134.db2.gz RFHAYWWXLZWIMH-LBPRGKRZSA-N 2 2 286.401 0.144 20 0 CCADLP CNS(=O)(=O)C[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000626167242 368471138 /nfs/dbraw/zinc/47/11/38/368471138.db2.gz RFHAYWWXLZWIMH-LBPRGKRZSA-N 2 2 286.401 0.144 20 0 CCADLP COC[C@@]1(C)C[N@H+](CCn2cc[nH+]c2C)CCO1 ZINC000626176392 368476490 /nfs/dbraw/zinc/47/64/90/368476490.db2.gz MNJFKWAFWFCQJN-CYBMUJFWSA-N 2 2 253.346 0.929 20 0 CCADLP COC[C@@]1(C)C[N@@H+](CCn2cc[nH+]c2C)CCO1 ZINC000626176392 368476492 /nfs/dbraw/zinc/47/64/92/368476492.db2.gz MNJFKWAFWFCQJN-CYBMUJFWSA-N 2 2 253.346 0.929 20 0 CCADLP CC[C@H](O)CCC[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000566678354 291430916 /nfs/dbraw/zinc/43/09/16/291430916.db2.gz COXFTVXLYDWCEA-KBXIAJHMSA-N 2 2 288.432 0.597 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NC1C[NH+](C(C)C)C1)CC2 ZINC000626516693 368569363 /nfs/dbraw/zinc/56/93/63/368569363.db2.gz ZGHVJLCOPUBZRG-GFCCVEGCSA-N 2 2 276.384 0.963 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[NH+]1CCOCC1 ZINC000626970803 368703180 /nfs/dbraw/zinc/70/31/80/368703180.db2.gz UURIJWASNHIILO-RQJABVFESA-N 2 2 298.431 0.535 20 0 CCADLP CCN(CC[NH3+])C(=O)N[C@H](C)c1[nH+]ccn1CC ZINC000627052821 368758769 /nfs/dbraw/zinc/75/87/69/368758769.db2.gz TUUGVKFMDLALIP-SNVBAGLBSA-N 2 2 253.350 0.954 20 0 CCADLP C[NH+](C)CCCS(=O)(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000632240650 370935226 /nfs/dbraw/zinc/93/52/26/370935226.db2.gz XBLJOYBYRUISQM-LLVKDONJSA-N 2 2 286.401 0.069 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CC2)C[NH2+]1 ZINC000627021659 368744314 /nfs/dbraw/zinc/74/43/14/368744314.db2.gz ZLPHMVFRUPDGTD-CHWSQXEVSA-N 2 2 296.415 0.291 20 0 CCADLP C[C@@H](NC(=O)N[C@@H]1CC[NH2+][C@H]1C)c1[nH+]ccn1C ZINC000627118383 368810418 /nfs/dbraw/zinc/81/04/18/368810418.db2.gz ZGLMPZIMONYFEM-IVZWLZJFSA-N 2 2 251.334 0.531 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627201933 368870833 /nfs/dbraw/zinc/87/08/33/368870833.db2.gz DRDUCIZSMHWRTA-RDBSUJKOSA-N 2 2 298.431 0.489 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627249311 368914275 /nfs/dbraw/zinc/91/42/75/368914275.db2.gz DHFNWZVHLWUJMY-LLVKDONJSA-N 2 2 251.334 0.277 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627249521 368914464 /nfs/dbraw/zinc/91/44/64/368914464.db2.gz PMYXJONIBJHFHG-WDEREUQCSA-N 2 2 263.345 0.281 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000627182563 368852159 /nfs/dbraw/zinc/85/21/59/368852159.db2.gz HAFRQMGPQUISTG-YDHLFZDLSA-N 2 2 296.415 0.087 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000627182563 368852162 /nfs/dbraw/zinc/85/21/62/368852162.db2.gz HAFRQMGPQUISTG-YDHLFZDLSA-N 2 2 296.415 0.087 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000627184182 368852717 /nfs/dbraw/zinc/85/27/17/368852717.db2.gz SRBNYHBNHXQUPY-DZGCQCFKSA-N 2 2 296.415 0.102 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000627184182 368852719 /nfs/dbraw/zinc/85/27/19/368852719.db2.gz SRBNYHBNHXQUPY-DZGCQCFKSA-N 2 2 296.415 0.102 20 0 CCADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[NH+](CCCF)CC1 ZINC000627960097 369147529 /nfs/dbraw/zinc/14/75/29/369147529.db2.gz NQLOXEBYIIIKMM-CYBMUJFWSA-N 2 2 294.374 0.949 20 0 CCADLP CC(C)(O)C[NH+]1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000330714335 203145193 /nfs/dbraw/zinc/14/51/93/203145193.db2.gz RZFMAEMCGDAHED-UHFFFAOYSA-N 2 2 280.372 0.257 20 0 CCADLP CC(C)(O)C[NH+]1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000330714335 203145194 /nfs/dbraw/zinc/14/51/94/203145194.db2.gz RZFMAEMCGDAHED-UHFFFAOYSA-N 2 2 280.372 0.257 20 0 CCADLP Cc1c[nH]c(CN2CC[NH+](C[C@H]3CCOC3)CC2)[nH+]1 ZINC000628187048 369208011 /nfs/dbraw/zinc/20/80/11/369208011.db2.gz CUFOLQGYWRKKAD-CYBMUJFWSA-N 2 2 264.373 0.872 20 0 CCADLP Cc1[nH]c(CN2CC[NH+]([C@H]3CCOC3)CC2)[nH+]c1C ZINC000628338399 369244042 /nfs/dbraw/zinc/24/40/42/369244042.db2.gz JCOPJSLPXBEBAO-ZDUSSCGKSA-N 2 2 264.373 0.933 20 0 CCADLP C[N@H+](Cc1cccc2[nH+]ccn21)[C@]1(CO)CCOC1 ZINC000628367105 369250288 /nfs/dbraw/zinc/25/02/88/369250288.db2.gz MFHIVYSDGRGPKX-AWEZNQCLSA-N 2 2 261.325 0.918 20 0 CCADLP C[N@@H+](Cc1cccc2[nH+]ccn21)[C@]1(CO)CCOC1 ZINC000628367105 369250293 /nfs/dbraw/zinc/25/02/93/369250293.db2.gz MFHIVYSDGRGPKX-AWEZNQCLSA-N 2 2 261.325 0.918 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000628749034 369375294 /nfs/dbraw/zinc/37/52/94/369375294.db2.gz ZZLVTZVQLVXJTH-GFCCVEGCSA-N 2 2 264.373 0.811 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000628749034 369375301 /nfs/dbraw/zinc/37/53/01/369375301.db2.gz ZZLVTZVQLVXJTH-GFCCVEGCSA-N 2 2 264.373 0.811 20 0 CCADLP OC[C@@H]1CCCCN1c1cc(NC2C[NH2+]C2)nc[nH+]1 ZINC000567337907 291475483 /nfs/dbraw/zinc/47/54/83/291475483.db2.gz JJJTYPDPLSZLCX-NSHDSACASA-N 2 2 263.345 0.212 20 0 CCADLP CC[NH+]1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000276460086 193339489 /nfs/dbraw/zinc/33/94/89/193339489.db2.gz BUHHQOUUQCYVLH-UHFFFAOYSA-N 2 2 250.346 0.517 20 0 CCADLP CC[C@H](NC(=O)[C@@H](C)N1CC[NH+](C)CC1)c1[nH]cc[nH+]1 ZINC000330982383 203439920 /nfs/dbraw/zinc/43/99/20/203439920.db2.gz KDSCCNMYGBDCCT-NEPJUHHUSA-N 2 2 279.388 0.613 20 0 CCADLP O[C@@H](C[NH2+]Cc1ccn2cc[nH+]c2c1)C[NH+]1CCCC1 ZINC000629570366 369716200 /nfs/dbraw/zinc/71/62/00/369716200.db2.gz WNAJNDRCGWHGLY-AWEZNQCLSA-N 3 2 274.368 0.881 20 0 CCADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCS(=O)(=O)c3ccccn3)C[C@@H]12 ZINC000629517968 369689077 /nfs/dbraw/zinc/68/90/77/369689077.db2.gz CBMCKDKOZUWSFE-JHJVBQTASA-N 2 2 295.408 0.524 20 0 CCADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCS(=O)(=O)c3ccccn3)C[C@@H]12 ZINC000629517968 369689081 /nfs/dbraw/zinc/68/90/81/369689081.db2.gz CBMCKDKOZUWSFE-JHJVBQTASA-N 2 2 295.408 0.524 20 0 CCADLP C[C@@H]([NH2+]CCN1CC[C@@H](O)C1)c1c[nH+]ccc1N ZINC000629543723 369697908 /nfs/dbraw/zinc/69/79/08/369697908.db2.gz DITBPVQOMSFPTN-GHMZBOCLSA-N 2 2 250.346 0.211 20 0 CCADLP C[C@@H](NCC[N@@H+]1CC[C@@H](O)C1)c1c[nH+]ccc1N ZINC000629543723 369697912 /nfs/dbraw/zinc/69/79/12/369697912.db2.gz DITBPVQOMSFPTN-GHMZBOCLSA-N 2 2 250.346 0.211 20 0 CCADLP C[C@@H](NCC[N@H+]1CC[C@@H](O)C1)c1c[nH+]ccc1N ZINC000629543723 369697916 /nfs/dbraw/zinc/69/79/16/369697916.db2.gz DITBPVQOMSFPTN-GHMZBOCLSA-N 2 2 250.346 0.211 20 0 CCADLP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000629558468 369708314 /nfs/dbraw/zinc/70/83/14/369708314.db2.gz IHEHEIWISDVJRA-CABCVRRESA-N 3 2 269.433 0.765 20 0 CCADLP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000629558468 369708320 /nfs/dbraw/zinc/70/83/20/369708320.db2.gz IHEHEIWISDVJRA-CABCVRRESA-N 3 2 269.433 0.765 20 0 CCADLP CC[N@H+](CC[NH3+])Cc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000629558000 369708336 /nfs/dbraw/zinc/70/83/36/369708336.db2.gz NBXLVSJSJIICCR-UHFFFAOYSA-N 2 2 297.424 0.908 20 0 CCADLP CC[N@@H+](CC[NH3+])Cc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000629558000 369708343 /nfs/dbraw/zinc/70/83/43/369708343.db2.gz NBXLVSJSJIICCR-UHFFFAOYSA-N 2 2 297.424 0.908 20 0 CCADLP COCCn1cc(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cn1 ZINC000629661447 369750542 /nfs/dbraw/zinc/75/05/42/369750542.db2.gz AKZCSSOSHVMZFO-GASCZTMLSA-N 2 2 278.400 0.961 20 0 CCADLP COCCn1cc(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cn1 ZINC000629661447 369750545 /nfs/dbraw/zinc/75/05/45/369750545.db2.gz AKZCSSOSHVMZFO-GASCZTMLSA-N 2 2 278.400 0.961 20 0 CCADLP CN(C)c1cccnc1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629579466 369723287 /nfs/dbraw/zinc/72/32/87/369723287.db2.gz DCGSEQDGZJMRIQ-ZDUSSCGKSA-N 2 2 278.400 0.694 20 0 CCADLP Cc1cc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)n(C)n1 ZINC000629581057 369724490 /nfs/dbraw/zinc/72/44/90/369724490.db2.gz LHJPFZSSHQDKBV-ZDUSSCGKSA-N 2 2 252.362 0.275 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C[C@H](C)O1 ZINC000629584851 369727458 /nfs/dbraw/zinc/72/74/58/369727458.db2.gz VPJREZBODFEFJC-SDSIWUNFSA-N 2 2 295.427 0.554 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C[C@H](C)O1 ZINC000629584851 369727461 /nfs/dbraw/zinc/72/74/61/369727461.db2.gz VPJREZBODFEFJC-SDSIWUNFSA-N 2 2 295.427 0.554 20 0 CCADLP COCCOC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000629600919 369734958 /nfs/dbraw/zinc/73/49/58/369734958.db2.gz BWEWUELUPPGQHQ-HUUCEWRRSA-N 2 2 286.416 0.617 20 0 CCADLP COCCOC[C@H](O)C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000629600919 369734963 /nfs/dbraw/zinc/73/49/63/369734963.db2.gz BWEWUELUPPGQHQ-HUUCEWRRSA-N 2 2 286.416 0.617 20 0 CCADLP COC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000629604258 369736798 /nfs/dbraw/zinc/73/67/98/369736798.db2.gz ILCAWSPCTSVWDK-ZIAGYGMSSA-N 2 2 256.390 0.990 20 0 CCADLP COC[C@H](O)C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000629604258 369736802 /nfs/dbraw/zinc/73/68/02/369736802.db2.gz ILCAWSPCTSVWDK-ZIAGYGMSSA-N 2 2 256.390 0.990 20 0 CCADLP C[N@H+](CC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)C1CCC1 ZINC000629975064 369863669 /nfs/dbraw/zinc/86/36/69/369863669.db2.gz OYJJGKDBVLMMRS-JTQLQIEISA-N 2 2 262.357 0.868 20 0 CCADLP C[N@@H+](CC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)C1CCC1 ZINC000629975064 369863673 /nfs/dbraw/zinc/86/36/73/369863673.db2.gz OYJJGKDBVLMMRS-JTQLQIEISA-N 2 2 262.357 0.868 20 0 CCADLP C[N@H+](CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)C1CCC1 ZINC000629975064 369863676 /nfs/dbraw/zinc/86/36/76/369863676.db2.gz OYJJGKDBVLMMRS-JTQLQIEISA-N 2 2 262.357 0.868 20 0 CCADLP C[N@@H+](CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)C1CCC1 ZINC000629975064 369863681 /nfs/dbraw/zinc/86/36/81/369863681.db2.gz OYJJGKDBVLMMRS-JTQLQIEISA-N 2 2 262.357 0.868 20 0 CCADLP C[NH2+]C1(CNC(=O)C2([NH+]3CCOCC3)CCC2)CCC1 ZINC000630001840 369884645 /nfs/dbraw/zinc/88/46/45/369884645.db2.gz PCULQGHRYCXHOK-UHFFFAOYSA-N 2 2 281.400 0.500 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C[NH+](C)C2CCC2)[C@@H](C)CO1 ZINC000630019238 369900037 /nfs/dbraw/zinc/90/00/37/369900037.db2.gz WVPIMUHJNZEGGY-QWHCGFSZSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C[NH+](C)C2CCC2)[C@@H](C)CO1 ZINC000630019238 369900042 /nfs/dbraw/zinc/90/00/42/369900042.db2.gz WVPIMUHJNZEGGY-QWHCGFSZSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)C[N@H+](C)C2CCC2)[C@@H](C)CO1 ZINC000630019238 369900045 /nfs/dbraw/zinc/90/00/45/369900045.db2.gz WVPIMUHJNZEGGY-QWHCGFSZSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)C[N@@H+](C)C2CCC2)[C@@H](C)CO1 ZINC000630019238 369900047 /nfs/dbraw/zinc/90/00/47/369900047.db2.gz WVPIMUHJNZEGGY-QWHCGFSZSA-N 2 2 283.416 0.696 20 0 CCADLP COCC[N@H+](C)Cc1cn(CC[NH+]2CCCC2)nn1 ZINC000630618531 370213305 /nfs/dbraw/zinc/21/33/05/370213305.db2.gz AXHORPFEBABERI-UHFFFAOYSA-N 2 2 267.377 0.452 20 0 CCADLP COCC[N@@H+](C)Cc1cn(CC[NH+]2CCCC2)nn1 ZINC000630618531 370213310 /nfs/dbraw/zinc/21/33/10/370213310.db2.gz AXHORPFEBABERI-UHFFFAOYSA-N 2 2 267.377 0.452 20 0 CCADLP Cc1nc(N2CCC(OCCC[NH+](C)C)CC2)nc(N)[nH+]1 ZINC000631147700 370400816 /nfs/dbraw/zinc/40/08/16/370400816.db2.gz PGBUIYQVOGSKHU-UHFFFAOYSA-N 2 2 294.403 0.530 20 0 CCADLP Cc1nc(N)nc(N2CCC(OCCC[NH+](C)C)CC2)[nH+]1 ZINC000631147700 370400822 /nfs/dbraw/zinc/40/08/22/370400822.db2.gz PGBUIYQVOGSKHU-UHFFFAOYSA-N 2 2 294.403 0.530 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000631156994 370405123 /nfs/dbraw/zinc/40/51/23/370405123.db2.gz VLULDPKVFGHUPM-UHFFFAOYSA-N 2 2 276.344 0.440 20 0 CCADLP Cc1cc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)on1 ZINC000631181106 370413768 /nfs/dbraw/zinc/41/37/68/370413768.db2.gz KGUQKJJTHPRMFC-LBPRGKRZSA-N 2 2 266.345 0.412 20 0 CCADLP Cc1cc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)on1 ZINC000631181106 370413769 /nfs/dbraw/zinc/41/37/69/370413769.db2.gz KGUQKJJTHPRMFC-LBPRGKRZSA-N 2 2 266.345 0.412 20 0 CCADLP C[NH+](C)C[C@@H]1CCN(C(=O)C2([NH+]3CCOCC3)CC2)C1 ZINC000631294397 370461202 /nfs/dbraw/zinc/46/12/02/370461202.db2.gz IVUZZKOLZKHATC-ZDUSSCGKSA-N 2 2 281.400 0.261 20 0 CCADLP Cc1nc(NC[C@H]2CC[N@@H+]2C2CCCCC2)nc(N)[nH+]1 ZINC000631392825 370514480 /nfs/dbraw/zinc/51/44/80/370514480.db2.gz JFPIZVGCMPPWEQ-GFCCVEGCSA-N 2 2 276.388 0.833 20 0 CCADLP Cc1nc(NC[C@H]2CC[N@H+]2C2CCCCC2)nc(N)[nH+]1 ZINC000631392825 370514484 /nfs/dbraw/zinc/51/44/84/370514484.db2.gz JFPIZVGCMPPWEQ-GFCCVEGCSA-N 2 2 276.388 0.833 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000632390653 371028699 /nfs/dbraw/zinc/02/86/99/371028699.db2.gz GMMCEJPCCJVDAF-UHFFFAOYSA-N 2 2 290.371 0.151 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000331622480 204019970 /nfs/dbraw/zinc/01/99/70/204019970.db2.gz KXPKGWSSKBORNK-CQSZACIVSA-N 2 2 282.388 0.298 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000331622480 204019974 /nfs/dbraw/zinc/01/99/74/204019974.db2.gz KXPKGWSSKBORNK-CQSZACIVSA-N 2 2 282.388 0.298 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633086067 371390434 /nfs/dbraw/zinc/39/04/34/371390434.db2.gz YMOYQLFBGCZBJQ-SNVBAGLBSA-N 2 2 253.350 0.891 20 0 CCADLP C[NH+](C)CCn1cc(C(=O)N2CCc3[nH]c[nH+]c3C2)cn1 ZINC000633133573 371409215 /nfs/dbraw/zinc/40/92/15/371409215.db2.gz YMBXBIVJFSKESY-UHFFFAOYSA-N 2 2 288.355 0.366 20 0 CCADLP C[NH+](C)CCn1cc(C(=O)N2CCc3[nH+]c[nH]c3C2)cn1 ZINC000633133573 371409219 /nfs/dbraw/zinc/40/92/19/371409219.db2.gz YMBXBIVJFSKESY-UHFFFAOYSA-N 2 2 288.355 0.366 20 0 CCADLP O=C(NC[C@H]1CCCC[NH2+]1)N1CCn2c[nH+]cc2C1 ZINC000634297923 372003438 /nfs/dbraw/zinc/00/34/38/372003438.db2.gz IEMJPNZQHVITIN-LLVKDONJSA-N 2 2 263.345 0.550 20 0 CCADLP C[C@@H](O)CNc1cc(N2CCCC[C@@H]2CC[NH3+])nc[nH+]1 ZINC000634808744 372248936 /nfs/dbraw/zinc/24/89/36/372248936.db2.gz BGWJSKDPUIQVKF-VXGBXAGGSA-N 2 2 279.388 0.977 20 0 CCADLP C[C@@H](O)CNc1cc(N2CCCC[C@@H]2CC[NH3+])[nH+]cn1 ZINC000634808744 372248941 /nfs/dbraw/zinc/24/89/41/372248941.db2.gz BGWJSKDPUIQVKF-VXGBXAGGSA-N 2 2 279.388 0.977 20 0 CCADLP OC[C@@H]1CCCN(c2cc(NC3C[NH2+]C3)nc[nH+]2)C1 ZINC000634809185 372251202 /nfs/dbraw/zinc/25/12/02/372251202.db2.gz LUDCMQWAUZHUAK-SNVBAGLBSA-N 2 2 263.345 0.069 20 0 CCADLP c1nc(N2CCC[C@H]3C[NH2+]CC[C@H]32)c2c([nH+]1)NCCO2 ZINC000634812913 372256315 /nfs/dbraw/zinc/25/63/15/372256315.db2.gz UOAPYAVXYOSIPH-WDEREUQCSA-N 2 2 275.356 0.859 20 0 CCADLP c1nc2c(c(N3CCC[C@H]4C[NH2+]CC[C@H]43)[nH+]1)OCCN2 ZINC000634812913 372256318 /nfs/dbraw/zinc/25/63/18/372256318.db2.gz UOAPYAVXYOSIPH-WDEREUQCSA-N 2 2 275.356 0.859 20 0 CCADLP C[C@H](O)CNc1cc(N2CCC[C@H]3C[NH2+]CC[C@H]32)nc[nH+]1 ZINC000634812956 372257005 /nfs/dbraw/zinc/25/70/05/372257005.db2.gz VKWASKNXRGXOOF-RWMBFGLXSA-N 2 2 291.399 0.848 20 0 CCADLP C[C@H](O)CNc1cc(N2CCC[C@H]3C[NH2+]CC[C@H]32)[nH+]cn1 ZINC000634812956 372257012 /nfs/dbraw/zinc/25/70/12/372257012.db2.gz VKWASKNXRGXOOF-RWMBFGLXSA-N 2 2 291.399 0.848 20 0 CCADLP C[C@H](O)CNc1cc(N(C)[C@@H](C[NH3+])C2CC2)nc[nH+]1 ZINC000634811918 372257271 /nfs/dbraw/zinc/25/72/71/372257271.db2.gz UKTHFOIVXOOAGP-ONGXEEELSA-N 2 2 265.361 0.443 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCOCC2(CC2)C1 ZINC000574410496 335017416 /nfs/dbraw/zinc/01/74/16/335017416.db2.gz NOHWMJRNBASPQZ-CYBMUJFWSA-N 2 2 272.389 0.038 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCOCC2(CC2)C1 ZINC000574410496 335017417 /nfs/dbraw/zinc/01/74/17/335017417.db2.gz NOHWMJRNBASPQZ-CYBMUJFWSA-N 2 2 272.389 0.038 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCOCC2(CC2)C1 ZINC000574410496 335017421 /nfs/dbraw/zinc/01/74/21/335017421.db2.gz NOHWMJRNBASPQZ-CYBMUJFWSA-N 2 2 272.389 0.038 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccon1 ZINC000634986772 372325931 /nfs/dbraw/zinc/32/59/31/372325931.db2.gz DJCXZELAULCAQV-NSHDSACASA-N 2 2 252.318 0.104 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccon1 ZINC000634986772 372325935 /nfs/dbraw/zinc/32/59/35/372325935.db2.gz DJCXZELAULCAQV-NSHDSACASA-N 2 2 252.318 0.104 20 0 CCADLP COCCO[C@H]1C[C@@H](CO)C[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634994986 372330281 /nfs/dbraw/zinc/33/02/81/372330281.db2.gz RLAPVEMJIINQEX-JLVJUDLZSA-N 2 2 284.400 0.084 20 0 CCADLP COCCO[C@H]1C[C@@H](CO)C[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634994986 372330282 /nfs/dbraw/zinc/33/02/82/372330282.db2.gz RLAPVEMJIINQEX-JLVJUDLZSA-N 2 2 284.400 0.084 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000635314155 372455762 /nfs/dbraw/zinc/45/57/62/372455762.db2.gz TYKPOODBPUVXIE-CYBMUJFWSA-N 2 2 294.399 0.843 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C[NH+](C)CC(C)(C)C ZINC000635502300 372566934 /nfs/dbraw/zinc/56/69/34/372566934.db2.gz ZMMFRLDJYSDZFX-ZDUSSCGKSA-N 2 2 285.432 0.801 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C[NH+](C)CC(C)(C)C ZINC000635502300 372566938 /nfs/dbraw/zinc/56/69/38/372566938.db2.gz ZMMFRLDJYSDZFX-ZDUSSCGKSA-N 2 2 285.432 0.801 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC000635502300 372566941 /nfs/dbraw/zinc/56/69/41/372566941.db2.gz ZMMFRLDJYSDZFX-ZDUSSCGKSA-N 2 2 285.432 0.801 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC000635502300 372566947 /nfs/dbraw/zinc/56/69/47/372566947.db2.gz ZMMFRLDJYSDZFX-ZDUSSCGKSA-N 2 2 285.432 0.801 20 0 CCADLP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)c(F)c1 ZINC000568006911 291545869 /nfs/dbraw/zinc/54/58/69/291545869.db2.gz WJXWPLRAIMAVMQ-LBPRGKRZSA-N 2 2 267.348 0.828 20 0 CCADLP C[N@H+](CCO)Cc1cn(CCC[NH+]2CCSCC2)nn1 ZINC000656450039 412800113 /nfs/dbraw/zinc/80/01/13/412800113.db2.gz KRRULULJUPRUCF-UHFFFAOYSA-N 2 2 299.444 0.141 20 0 CCADLP C[N@@H+](CCO)Cc1cn(CCC[NH+]2CCSCC2)nn1 ZINC000656450039 412800116 /nfs/dbraw/zinc/80/01/16/412800116.db2.gz KRRULULJUPRUCF-UHFFFAOYSA-N 2 2 299.444 0.141 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000333156505 205076936 /nfs/dbraw/zinc/07/69/36/205076936.db2.gz FVHLBVZJKZODQX-QWHCGFSZSA-N 2 2 298.431 0.394 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000333277053 205176909 /nfs/dbraw/zinc/17/69/09/205176909.db2.gz LQZUWEZHELDHLJ-XJFOESAGSA-N 3 2 255.406 0.861 20 0 CCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)[C@@H](C)[NH+](C)C ZINC000635810491 372941329 /nfs/dbraw/zinc/94/13/29/372941329.db2.gz ABFUKMKHVUQWLL-CHWSQXEVSA-N 2 2 270.421 0.079 20 0 CCADLP C[C@H](C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)[NH+](C)C ZINC000635869746 373027525 /nfs/dbraw/zinc/02/75/25/373027525.db2.gz OXVJTILVMLNCGG-NWDGAFQWSA-N 2 2 257.378 0.116 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)[nH+]1 ZINC000635953572 373150952 /nfs/dbraw/zinc/15/09/52/373150952.db2.gz HUDWGVDGNUCUNU-CMPLNLGQSA-N 2 2 262.357 0.677 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)[nH+]1 ZINC000635953572 373150962 /nfs/dbraw/zinc/15/09/62/373150962.db2.gz HUDWGVDGNUCUNU-CMPLNLGQSA-N 2 2 262.357 0.677 20 0 CCADLP O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635976590 373191692 /nfs/dbraw/zinc/19/16/92/373191692.db2.gz LULOWPDIZVHHDS-JHJVBQTASA-N 2 2 292.383 0.476 20 0 CCADLP O=C(N[C@@H]1CCC[N@H+](CCCO)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635976590 373191700 /nfs/dbraw/zinc/19/17/00/373191700.db2.gz LULOWPDIZVHHDS-JHJVBQTASA-N 2 2 292.383 0.476 20 0 CCADLP O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635976590 373191713 /nfs/dbraw/zinc/19/17/13/373191713.db2.gz LULOWPDIZVHHDS-JHJVBQTASA-N 2 2 292.383 0.476 20 0 CCADLP [NH3+]C1(CNC(=O)NCCCn2cc[nH+]c2)CCCC1 ZINC000656474433 412809990 /nfs/dbraw/zinc/80/99/90/412809990.db2.gz WJTLSQDCHKAVRR-UHFFFAOYSA-N 2 2 265.361 0.844 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000636101504 373358295 /nfs/dbraw/zinc/35/82/95/373358295.db2.gz HZSHYRDJQNKHMY-LLVKDONJSA-N 2 2 259.313 0.519 20 0 CCADLP [NH3+]CC12CC(C1)CN2C(=O)NCCCn1cc[nH+]c1 ZINC000656475713 412810419 /nfs/dbraw/zinc/81/04/19/412810419.db2.gz HSLGPGVUNPWYQM-UHFFFAOYSA-N 2 2 263.345 0.406 20 0 CCADLP Cc1cn2ccc(C(=O)NCC[N@@H+]3CC[C@H](O)C3)cc2[nH+]1 ZINC000636292507 373531312 /nfs/dbraw/zinc/53/13/12/373531312.db2.gz UBLANXMGFQKGRE-ZDUSSCGKSA-N 2 2 288.351 0.439 20 0 CCADLP Cc1cn2ccc(C(=O)NCC[N@H+]3CC[C@H](O)C3)cc2[nH+]1 ZINC000636292507 373531316 /nfs/dbraw/zinc/53/13/16/373531316.db2.gz UBLANXMGFQKGRE-ZDUSSCGKSA-N 2 2 288.351 0.439 20 0 CCADLP C[C@H](NC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CC[NH+](C)CC1 ZINC000636818231 373771193 /nfs/dbraw/zinc/77/11/93/373771193.db2.gz XCCOCZKBAUOXGM-WCQYABFASA-N 2 2 291.399 0.837 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636767738 373747506 /nfs/dbraw/zinc/74/75/06/373747506.db2.gz UQNYNFKWGOVQQP-CHWSQXEVSA-N 2 2 291.399 0.981 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636767738 373747510 /nfs/dbraw/zinc/74/75/10/373747510.db2.gz UQNYNFKWGOVQQP-CHWSQXEVSA-N 2 2 291.399 0.981 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000636909721 373816019 /nfs/dbraw/zinc/81/60/19/373816019.db2.gz XSQSBKXHDQHAJQ-BFHYXJOUSA-N 2 2 283.416 0.648 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000636909721 373816028 /nfs/dbraw/zinc/81/60/28/373816028.db2.gz XSQSBKXHDQHAJQ-BFHYXJOUSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000636909721 373816032 /nfs/dbraw/zinc/81/60/32/373816032.db2.gz XSQSBKXHDQHAJQ-BFHYXJOUSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000636909721 373816038 /nfs/dbraw/zinc/81/60/38/373816038.db2.gz XSQSBKXHDQHAJQ-BFHYXJOUSA-N 2 2 283.416 0.648 20 0 CCADLP Cc1cc[nH+]cc1CCC[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000289534051 197393019 /nfs/dbraw/zinc/39/30/19/197393019.db2.gz GTTRXBQYCLKUHD-AWEZNQCLSA-N 2 2 291.395 0.848 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000637442526 374162620 /nfs/dbraw/zinc/16/26/20/374162620.db2.gz RCXIAWRDQFLFQW-KBPBESRZSA-N 2 2 298.431 0.441 20 0 CCADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000637442526 374162624 /nfs/dbraw/zinc/16/26/24/374162624.db2.gz RCXIAWRDQFLFQW-KBPBESRZSA-N 2 2 298.431 0.441 20 0 CCADLP CC(C)[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000637442526 374162633 /nfs/dbraw/zinc/16/26/33/374162633.db2.gz RCXIAWRDQFLFQW-KBPBESRZSA-N 2 2 298.431 0.441 20 0 CCADLP CC(C)[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000637442526 374162638 /nfs/dbraw/zinc/16/26/38/374162638.db2.gz RCXIAWRDQFLFQW-KBPBESRZSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1CC1 ZINC000656542612 412820732 /nfs/dbraw/zinc/82/07/32/412820732.db2.gz JUXRKLMBIKJRHJ-LBPRGKRZSA-N 2 2 270.421 0.968 20 0 CCADLP C[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1CC1 ZINC000656542612 412820737 /nfs/dbraw/zinc/82/07/37/412820737.db2.gz JUXRKLMBIKJRHJ-LBPRGKRZSA-N 2 2 270.421 0.968 20 0 CCADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N[C@@H]1CC[NH2+]C1 ZINC000637810369 374342775 /nfs/dbraw/zinc/34/27/75/374342775.db2.gz DAZAVJKSMHLFAW-RKDXNWHRSA-N 2 2 276.262 0.855 20 0 CCADLP COC[C@@]1(C(=O)NCCCn2cc[nH+]c2)CCCC[NH2+]1 ZINC000638046184 374587884 /nfs/dbraw/zinc/58/78/84/374587884.db2.gz BOFMHLOMOBUNRO-CQSZACIVSA-N 2 2 280.372 0.548 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H]([NH3+])c2cccc(OC)c2)CC1 ZINC000638047305 374590242 /nfs/dbraw/zinc/59/02/42/374590242.db2.gz MVNZSCMQYURMIT-CQSZACIVSA-N 2 2 277.368 0.859 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@H](C)[NH+]2CCSCC2)[C@H](C)C1 ZINC000334220485 206211603 /nfs/dbraw/zinc/21/16/03/206211603.db2.gz RQQZQPXSWYNQDM-OLZOCXBDSA-N 2 2 285.457 0.976 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@H](C)[NH+]2CCSCC2)[C@H](C)C1 ZINC000334220485 206211606 /nfs/dbraw/zinc/21/16/06/206211606.db2.gz RQQZQPXSWYNQDM-OLZOCXBDSA-N 2 2 285.457 0.976 20 0 CCADLP C[C@H](CNC(=O)[C@H]([NH3+])CN(C)Cc1ccccc1)[NH+](C)C ZINC000638079159 374636721 /nfs/dbraw/zinc/63/67/21/374636721.db2.gz BIZPUXMZRCVXGX-UKRRQHHQSA-N 2 2 292.427 0.512 20 0 CCADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CCn3c(C)c(C)[nH+]c3C2)C1 ZINC000638097479 374659353 /nfs/dbraw/zinc/65/93/53/374659353.db2.gz UMEAHWDACANORM-IUODEOHRSA-N 2 2 292.383 0.609 20 0 CCADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCn3c(C)c(C)[nH+]c3C2)C1 ZINC000638097480 374659870 /nfs/dbraw/zinc/65/98/70/374659870.db2.gz UMEAHWDACANORM-SWLSCSKDSA-N 2 2 292.383 0.609 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCC3C[NH2+]C3)C2)CC1 ZINC000638118328 374684243 /nfs/dbraw/zinc/68/42/43/374684243.db2.gz XQLVVYKKMYVNHQ-AWEZNQCLSA-N 3 2 294.443 0.271 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCC3C[NH2+]C3)C2)CC1 ZINC000638118328 374684248 /nfs/dbraw/zinc/68/42/48/374684248.db2.gz XQLVVYKKMYVNHQ-AWEZNQCLSA-N 3 2 294.443 0.271 20 0 CCADLP O=c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c[nH]1 ZINC000638119070 374686543 /nfs/dbraw/zinc/68/65/43/374686543.db2.gz IEKHFAPRXYKDAQ-CQSZACIVSA-N 2 2 277.368 0.941 20 0 CCADLP O=c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c[nH]1 ZINC000638119070 374686546 /nfs/dbraw/zinc/68/65/46/374686546.db2.gz IEKHFAPRXYKDAQ-CQSZACIVSA-N 2 2 277.368 0.941 20 0 CCADLP CO[C@@]1(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CCOC1 ZINC000638120355 374687509 /nfs/dbraw/zinc/68/75/09/374687509.db2.gz ZBLKTVBMCWMIJX-HUUCEWRRSA-N 2 2 284.400 0.446 20 0 CCADLP CO[C@@]1(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CCOC1 ZINC000638120355 374687517 /nfs/dbraw/zinc/68/75/17/374687517.db2.gz ZBLKTVBMCWMIJX-HUUCEWRRSA-N 2 2 284.400 0.446 20 0 CCADLP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[NH+](C)CC1 ZINC000638149511 374719684 /nfs/dbraw/zinc/71/96/84/374719684.db2.gz MGZGEKKEOALOPH-HNNXBMFYSA-N 2 2 290.411 0.220 20 0 CCADLP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[NH+](C)CC1 ZINC000638149511 374719692 /nfs/dbraw/zinc/71/96/92/374719692.db2.gz MGZGEKKEOALOPH-HNNXBMFYSA-N 2 2 290.411 0.220 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1C[C@H](C)[NH2+]C[C@H]1C)CC2 ZINC000638157242 374730758 /nfs/dbraw/zinc/73/07/58/374730758.db2.gz KRZOGNIZIQHEDW-CYZMBNFOSA-N 2 2 276.384 0.963 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCC1([NH3+])CCC1)CC2 ZINC000638161035 374737715 /nfs/dbraw/zinc/73/77/15/374737715.db2.gz NSBPRNNHDNJSTC-NSHDSACASA-N 2 2 262.357 0.752 20 0 CCADLP O=C(c1cc(-n2cc[nH+]c2)ccc1O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638214380 374803637 /nfs/dbraw/zinc/80/36/37/374803637.db2.gz SYAOANNPLVTPGX-TXEJJXNPSA-N 2 2 298.346 0.869 20 0 CCADLP COCC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[NH2+]CC1 ZINC000638225489 374811404 /nfs/dbraw/zinc/81/14/04/374811404.db2.gz YIMCDPJYHDITMW-VXGBXAGGSA-N 2 2 292.383 0.646 20 0 CCADLP COCC1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[NH2+]CC1 ZINC000638225489 374811411 /nfs/dbraw/zinc/81/14/11/374811411.db2.gz YIMCDPJYHDITMW-VXGBXAGGSA-N 2 2 292.383 0.646 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000638234584 374827250 /nfs/dbraw/zinc/82/72/50/374827250.db2.gz NUWHADYQOSWOBA-CQSZACIVSA-N 2 2 262.357 0.863 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)[nH+]1 ZINC000638267392 374866291 /nfs/dbraw/zinc/86/62/91/374866291.db2.gz QSZKFSXVWJWNFW-CMPLNLGQSA-N 2 2 262.357 0.725 20 0 CCADLP CO[C@@H](C[NH2+]CCCn1cc[nH+]c1)[C@@H]1CCOC1 ZINC000638285638 374893482 /nfs/dbraw/zinc/89/34/82/374893482.db2.gz JAAAPOZPXCEDAC-OLZOCXBDSA-N 2 2 253.346 0.914 20 0 CCADLP CO[C@H](C[NH2+]CCC[NH+]1CCOCC1)[C@@H]1CCOC1 ZINC000638286327 374894435 /nfs/dbraw/zinc/89/44/35/374894435.db2.gz MNMGHSJPYRYHGT-ZIAGYGMSSA-N 2 2 272.389 0.350 20 0 CCADLP COc1cccc([C@@H]([NH3+])C(=O)N2CC[NH2+]C[C@](C)(F)C2)c1 ZINC000638255106 374851391 /nfs/dbraw/zinc/85/13/91/374851391.db2.gz XCCVGXYUAJCFFA-HIFRSBDPSA-N 2 2 295.358 0.855 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638394732 374987935 /nfs/dbraw/zinc/98/79/35/374987935.db2.gz HLGMRCIRUJJDJK-NDBYEHHHSA-N 2 2 271.405 0.598 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638394732 374987940 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YIZSQNMVNBSQGL-AWEZNQCLSA-N 2 2 263.341 0.429 20 0 CCADLP Cc1cc(C)c(C[N@H+]2CC[C@@](O)(C(N)=O)C2)c(C)[nH+]1 ZINC000639608191 375858749 /nfs/dbraw/zinc/85/87/49/375858749.db2.gz YIZSQNMVNBSQGL-AWEZNQCLSA-N 2 2 263.341 0.429 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000639660468 375894035 /nfs/dbraw/zinc/89/40/35/375894035.db2.gz WZXOGOMAVIBHPM-BPLDGKMQSA-N 2 2 279.384 0.824 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000639660468 375894048 /nfs/dbraw/zinc/89/40/48/375894048.db2.gz WZXOGOMAVIBHPM-BPLDGKMQSA-N 2 2 279.384 0.824 20 0 CCADLP C[C@H]1OCC[C@@]12C[N@H+](CCc1c[nH+]cn1C)CCO2 ZINC000639623197 375868083 /nfs/dbraw/zinc/86/80/83/375868083.db2.gz UTFIMDVMLOQMOT-TZMCWYRMSA-N 2 2 265.357 0.842 20 0 CCADLP C[C@H]1OCC[C@@]12C[N@@H+](CCc1c[nH+]cn1C)CCO2 ZINC000639623197 375868087 /nfs/dbraw/zinc/86/80/87/375868087.db2.gz UTFIMDVMLOQMOT-TZMCWYRMSA-N 2 2 265.357 0.842 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCn2ccnc2)C1 ZINC000639765394 375995512 /nfs/dbraw/zinc/99/55/12/375995512.db2.gz IQHGLRHAFSFTAW-ZDUSSCGKSA-N 2 2 252.362 0.272 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCn2ccnc2)C1 ZINC000639765394 375995517 /nfs/dbraw/zinc/99/55/17/375995517.db2.gz IQHGLRHAFSFTAW-ZDUSSCGKSA-N 2 2 252.362 0.272 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCn2cc(Cl)cn2)C1 ZINC000639763528 375990219 /nfs/dbraw/zinc/99/02/19/375990219.db2.gz QZFFJNYGMPIFNW-CYBMUJFWSA-N 2 2 286.807 0.925 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCn2cc(Cl)cn2)C1 ZINC000639763528 375990227 /nfs/dbraw/zinc/99/02/27/375990227.db2.gz QZFFJNYGMPIFNW-CYBMUJFWSA-N 2 2 286.807 0.925 20 0 CCADLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000640051004 376216301 /nfs/dbraw/zinc/21/63/01/376216301.db2.gz CDSKSHYCWDXOIG-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H]1CCCn2nccc21 ZINC000640219317 376286613 /nfs/dbraw/zinc/28/66/13/376286613.db2.gz DHRQJHMLOSHOFJ-RYUDHWBXSA-N 2 2 252.362 0.620 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1CCCn2nccc21 ZINC000640219317 376286617 /nfs/dbraw/zinc/28/66/17/376286617.db2.gz DHRQJHMLOSHOFJ-RYUDHWBXSA-N 2 2 252.362 0.620 20 0 CCADLP Cc1[nH]c(Cn2cc(C[N@@H+]3CCC[C@@H]3CO)nn2)[nH+]c1C ZINC000641157294 376820538 /nfs/dbraw/zinc/82/05/38/376820538.db2.gz WCHMFIXLNRTRCF-CYBMUJFWSA-N 2 2 290.371 0.623 20 0 CCADLP Cc1[nH]c(Cn2cc(C[N@H+]3CCC[C@@H]3CO)nn2)[nH+]c1C ZINC000641157294 376820543 /nfs/dbraw/zinc/82/05/43/376820543.db2.gz WCHMFIXLNRTRCF-CYBMUJFWSA-N 2 2 290.371 0.623 20 0 CCADLP Cc1[nH+]ccn1CCCn1cc(C[N@H+](C)CCO)nn1 ZINC000641149709 376812410 /nfs/dbraw/zinc/81/24/10/376812410.db2.gz JTJNVHFIENPMMA-UHFFFAOYSA-N 2 2 278.360 0.297 20 0 CCADLP Cc1[nH+]ccn1CCCn1cc(C[N@@H+](C)CCO)nn1 ZINC000641149709 376812418 /nfs/dbraw/zinc/81/24/18/376812418.db2.gz JTJNVHFIENPMMA-UHFFFAOYSA-N 2 2 278.360 0.297 20 0 CCADLP Cn1c[nH+]cc1CCn1cc(C[NH+]2CCCC2)nn1 ZINC000641175479 376845352 /nfs/dbraw/zinc/84/53/52/376845352.db2.gz SNKBDVOQVCPLPB-UHFFFAOYSA-N 2 2 260.345 0.850 20 0 CCADLP CN(C)C(=O)CC[NH+]1CCN(c2cc[nH+]cc2F)CC1 ZINC000641441490 377121472 /nfs/dbraw/zinc/12/14/72/377121472.db2.gz LTCAMAAFKHHYAK-UHFFFAOYSA-N 2 2 280.347 0.821 20 0 CCADLP C[C@@H]([NH3+])CNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000641470295 377151658 /nfs/dbraw/zinc/15/16/58/377151658.db2.gz DVPMVCUJXVDTGL-LLVKDONJSA-N 2 2 263.345 0.260 20 0 CCADLP OCCC[N@@H+]1CCC[C@@H]1CNc1cc[nH+]cc1F ZINC000641615131 377319455 /nfs/dbraw/zinc/31/94/55/377319455.db2.gz FPPIFWXLNICWJP-LLVKDONJSA-N 2 2 253.321 0.901 20 0 CCADLP OCCC[N@H+]1CCC[C@@H]1CNc1cc[nH+]cc1F ZINC000641615131 377319459 /nfs/dbraw/zinc/31/94/59/377319459.db2.gz FPPIFWXLNICWJP-LLVKDONJSA-N 2 2 253.321 0.901 20 0 CCADLP CN(C)C(=O)C[NH+]1CCC([NH2+]Cc2ccncc2N)CC1 ZINC000641720900 377419417 /nfs/dbraw/zinc/41/94/17/377419417.db2.gz WGIBZXDVOHYASB-UHFFFAOYSA-N 2 2 291.399 0.306 20 0 CCADLP COc1cc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)on1 ZINC000641798576 377469369 /nfs/dbraw/zinc/46/93/69/377469369.db2.gz OAQKKGKHHJMABG-NSHDSACASA-N 2 2 294.355 0.079 20 0 CCADLP COc1cc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)on1 ZINC000641798576 377469379 /nfs/dbraw/zinc/46/93/79/377469379.db2.gz OAQKKGKHHJMABG-NSHDSACASA-N 2 2 294.355 0.079 20 0 CCADLP C[NH+](C)CCCNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000641959371 377526611 /nfs/dbraw/zinc/52/66/11/377526611.db2.gz HXZDNGVHWYXCDL-JTQLQIEISA-N 2 2 265.361 0.518 20 0 CCADLP C[NH+](C)CCCNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000641959371 377526617 /nfs/dbraw/zinc/52/66/17/377526617.db2.gz HXZDNGVHWYXCDL-JTQLQIEISA-N 2 2 265.361 0.518 20 0 CCADLP Cc1ccc(CN2C(=O)N[C@]3(CCC[NH2+]C3)C2=O)c(C)[nH+]1 ZINC000569358863 291673158 /nfs/dbraw/zinc/67/31/58/291673158.db2.gz PPCKHMBTDNBPMO-HNNXBMFYSA-N 2 2 288.351 0.872 20 0 CCADLP Cc1ncc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)s1 ZINC000514949505 249114423 /nfs/dbraw/zinc/11/44/23/249114423.db2.gz GOHBXCRDBQRDRB-ONGXEEELSA-N 2 2 266.370 0.195 20 0 CCADLP Cc1ncc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)s1 ZINC000514949505 249114427 /nfs/dbraw/zinc/11/44/27/249114427.db2.gz GOHBXCRDBQRDRB-ONGXEEELSA-N 2 2 266.370 0.195 20 0 CCADLP Cc1c[nH+]ccc1CC[NH2+][C@H](CO)c1cnn(C)c1 ZINC000514600831 249092160 /nfs/dbraw/zinc/09/21/60/249092160.db2.gz UMYIAECEJOYNHC-CQSZACIVSA-N 2 2 260.341 0.989 20 0 CCADLP Cc1c[nH+]c(C)nc1NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000514798680 249105096 /nfs/dbraw/zinc/10/50/96/249105096.db2.gz LPJGXFRGOJMAFK-GFCCVEGCSA-N 2 2 277.372 0.267 20 0 CCADLP Cc1c[nH+]c(C)nc1NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000514798680 249105099 /nfs/dbraw/zinc/10/50/99/249105099.db2.gz LPJGXFRGOJMAFK-GFCCVEGCSA-N 2 2 277.372 0.267 20 0 CCADLP CC[NH+]1CCC(N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC000514899309 249111026 /nfs/dbraw/zinc/11/10/26/249111026.db2.gz SUAUAMMIAQPUGM-UHFFFAOYSA-N 2 2 250.346 0.826 20 0 CCADLP [NH3+][C@H](CNC(=O)NCc1ccn2cc[nH+]c2c1)C1CC1 ZINC000515620897 249139796 /nfs/dbraw/zinc/13/97/96/249139796.db2.gz OXCNEUFEVRZHJI-GFCCVEGCSA-N 2 2 273.340 0.871 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@H](CO)Cc1ccc(O)cc1)C1CC1 ZINC000518184497 249242274 /nfs/dbraw/zinc/24/22/74/249242274.db2.gz CUOZOXOFGVFBQM-XJKSGUPXSA-N 2 2 294.395 0.340 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@H](CO)Cc1ccc(O)cc1)C1CC1 ZINC000518184497 249242277 /nfs/dbraw/zinc/24/22/77/249242277.db2.gz CUOZOXOFGVFBQM-XJKSGUPXSA-N 2 2 294.395 0.340 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@H]2C2(O)CC2)CC1 ZINC000518331917 249245378 /nfs/dbraw/zinc/24/53/78/249245378.db2.gz USUUJEGGAAHZFU-ZDUSSCGKSA-N 2 2 281.400 0.140 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@H]2C2(O)CC2)CC1 ZINC000518331917 249245380 /nfs/dbraw/zinc/24/53/80/249245380.db2.gz USUUJEGGAAHZFU-ZDUSSCGKSA-N 2 2 281.400 0.140 20 0 CCADLP Cc1nc(N2CCO[C@H](C[NH3+])C2)c2c([nH+]1)CCCC2 ZINC000643027047 377694521 /nfs/dbraw/zinc/69/45/21/377694521.db2.gz WQUAFKHRFHPRJY-LLVKDONJSA-N 2 2 262.357 0.828 20 0 CCADLP Cc1nc(N2CC[C@@H]3CC[NH2+][C@H]3C2)nc(N(C)C)[nH+]1 ZINC000643031146 377696532 /nfs/dbraw/zinc/69/65/32/377696532.db2.gz HWVDHFLSLWNEIF-QWRGUYRKSA-N 2 2 262.361 0.434 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000126869861 284731139 /nfs/dbraw/zinc/73/11/39/284731139.db2.gz HCFIWGQBEPQSGG-HNNXBMFYSA-N 2 2 289.379 0.611 20 0 CCADLP C=Cn1cc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cn1 ZINC000278561683 194045366 /nfs/dbraw/zinc/04/53/66/194045366.db2.gz BGBKATOIXCUCPH-ZDUSSCGKSA-N 2 2 277.372 0.413 20 0 CCADLP C=Cn1cc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cn1 ZINC000278561683 194045368 /nfs/dbraw/zinc/04/53/68/194045368.db2.gz BGBKATOIXCUCPH-ZDUSSCGKSA-N 2 2 277.372 0.413 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+][C@@H]2CCCOC2)C[C@@H](C)O1 ZINC000570325491 291748634 /nfs/dbraw/zinc/74/86/34/291748634.db2.gz MVRBHBIEAGSKHO-SYQHCUMBSA-N 2 2 272.389 0.225 20 0 CCADLP COC(=O)c1cn(C2CC[NH+](C[C@H](C)[NH3+])CC2)nn1 ZINC000570684052 291774436 /nfs/dbraw/zinc/77/44/36/291774436.db2.gz ZYILOKFQTLEJHC-VIFPVBQESA-N 2 2 267.333 0.049 20 0 CCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)NCCn1cc[nH+]c1 ZINC000334889792 207251136 /nfs/dbraw/zinc/25/11/36/207251136.db2.gz XGYJZEQGMCWJLM-GFCCVEGCSA-N 2 2 265.361 0.619 20 0 CCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCCn1cc[nH+]c1 ZINC000334889792 207251139 /nfs/dbraw/zinc/25/11/39/207251139.db2.gz XGYJZEQGMCWJLM-GFCCVEGCSA-N 2 2 265.361 0.619 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)n1C ZINC000657304160 412955443 /nfs/dbraw/zinc/95/54/43/412955443.db2.gz KOPAERHAQJDFBE-UHFFFAOYSA-N 3 2 279.432 0.844 20 0 CCADLP C[NH+](C)CCN1CCC([NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657306206 412956772 /nfs/dbraw/zinc/95/67/72/412956772.db2.gz SHLKHHMLTPMXEA-UHFFFAOYSA-N 3 2 291.443 0.945 20 0 CCADLP O[C@@H](CNCc1c[nH+]c2n1CCC2)C[NH+]1CCCC1 ZINC000657326759 412962442 /nfs/dbraw/zinc/96/24/42/412962442.db2.gz RLCKMEZBZFBCRS-ZDUSSCGKSA-N 2 2 264.373 0.376 20 0 CCADLP C[NH+](C)CCn1ccc(C(=O)NCCCn2cc[nH+]c2)n1 ZINC000571296356 291804720 /nfs/dbraw/zinc/80/47/20/291804720.db2.gz MOUGZQBUGZSKQS-UHFFFAOYSA-N 2 2 290.371 0.461 20 0 CCADLP C[C@H]1COCCN1CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657347319 412965748 /nfs/dbraw/zinc/96/57/48/412965748.db2.gz XELQKTVJWVPSPA-LBPRGKRZSA-N 2 2 264.373 0.640 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000571491885 291818219 /nfs/dbraw/zinc/81/82/19/291818219.db2.gz CEVJLNJWYGIJGE-CYBMUJFWSA-N 2 2 262.357 0.827 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1cccc(-n2ccnn2)c1 ZINC000571633617 291826828 /nfs/dbraw/zinc/82/68/28/291826828.db2.gz PGKPKSQFCXXFPH-WFASDCNBSA-N 2 2 287.367 0.906 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000246940693 285038037 /nfs/dbraw/zinc/03/80/37/285038037.db2.gz HQFGDVHPOXOZOP-LSDHHAIUSA-N 3 2 296.459 0.470 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000246940693 285038039 /nfs/dbraw/zinc/03/80/39/285038039.db2.gz HQFGDVHPOXOZOP-LSDHHAIUSA-N 3 2 296.459 0.470 20 0 CCADLP COC1(C[NH2+][C@@H](C)CC[NH+]2CCOCC2)CCOCC1 ZINC000428862738 533004041 /nfs/dbraw/zinc/00/40/41/533004041.db2.gz OTKRGALELPSDSL-AWEZNQCLSA-N 2 2 286.416 0.882 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1CNCc1c[nH+]c2n1CCC2 ZINC000657358438 412970897 /nfs/dbraw/zinc/97/08/97/412970897.db2.gz WQVZYGHQYVZCLP-CYBMUJFWSA-N 2 2 263.389 0.165 20 0 CCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NC2C[NH2+]C2)C1 ZINC000335286107 208105358 /nfs/dbraw/zinc/10/53/58/208105358.db2.gz OULGTEUDPDBFNU-LLVKDONJSA-N 2 2 277.372 0.356 20 0 CCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000335369257 208294700 /nfs/dbraw/zinc/29/47/00/208294700.db2.gz VNUINBSRVVSSON-QWHCGFSZSA-N 2 2 276.384 0.811 20 0 CCADLP Cc1nc2[nH]ccc2c(N2CCCO[C@H](C[NH3+])C2)[nH+]1 ZINC000572105463 291857606 /nfs/dbraw/zinc/85/76/06/291857606.db2.gz HPNUSMXEMGCISY-SNVBAGLBSA-N 2 2 261.329 0.820 20 0 CCADLP CCN(CC)C(=O)C[N@H+](C)CCc1c[nH+]cn1C ZINC000289409880 197332955 /nfs/dbraw/zinc/33/29/55/197332955.db2.gz SVAXDYJOPHNNOF-UHFFFAOYSA-N 2 2 252.362 0.763 20 0 CCADLP CCN(CC)C(=O)C[N@@H+](C)CCc1c[nH+]cn1C ZINC000289409880 197332956 /nfs/dbraw/zinc/33/29/56/197332956.db2.gz SVAXDYJOPHNNOF-UHFFFAOYSA-N 2 2 252.362 0.763 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289359892 197311639 /nfs/dbraw/zinc/31/16/39/197311639.db2.gz ZDCDVBHZTGUWSY-AWEZNQCLSA-N 2 2 262.357 0.875 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000572241451 291865968 /nfs/dbraw/zinc/86/59/68/291865968.db2.gz VYYMFLXDQPEPLM-LLVKDONJSA-N 2 2 288.355 0.766 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cnn(C)c1C ZINC000574820028 335050092 /nfs/dbraw/zinc/05/00/92/335050092.db2.gz NBDCHXWWQDDAOF-YPMHNXCESA-N 2 2 284.404 0.318 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cnn(C)c1C ZINC000574820028 335050094 /nfs/dbraw/zinc/05/00/94/335050094.db2.gz NBDCHXWWQDDAOF-YPMHNXCESA-N 2 2 284.404 0.318 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cccnc3N)C2)CC1 ZINC000289245200 197273174 /nfs/dbraw/zinc/27/31/74/197273174.db2.gz BAYKOHJXBKKCGQ-HNNXBMFYSA-N 2 2 289.427 0.876 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccnc3N)C2)CC1 ZINC000289245200 197273176 /nfs/dbraw/zinc/27/31/76/197273176.db2.gz BAYKOHJXBKKCGQ-HNNXBMFYSA-N 2 2 289.427 0.876 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)CC1 ZINC000251509647 285146593 /nfs/dbraw/zinc/14/65/93/285146593.db2.gz CBFKVFNTHQIMGM-ILXRZTDVSA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@@H](OC)C2)CC1 ZINC000251509647 285146597 /nfs/dbraw/zinc/14/65/97/285146597.db2.gz CBFKVFNTHQIMGM-ILXRZTDVSA-N 2 2 297.443 0.896 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1ccc(F)c(F)c1 ZINC000258946707 285153795 /nfs/dbraw/zinc/15/37/95/285153795.db2.gz QGYXBAMZCKIRFY-LLVKDONJSA-N 2 2 255.312 0.958 20 0 CCADLP COC(=O)[C@@]1(C)CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000412103506 533116262 /nfs/dbraw/zinc/11/62/62/533116262.db2.gz LEKYQCYPKRGSIW-HNNXBMFYSA-N 2 2 297.399 0.036 20 0 CCADLP COC(=O)[C@@]1(C)CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000412103506 533116265 /nfs/dbraw/zinc/11/62/65/533116265.db2.gz LEKYQCYPKRGSIW-HNNXBMFYSA-N 2 2 297.399 0.036 20 0 CCADLP O=C(C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)NCC(F)F ZINC000657455938 412997216 /nfs/dbraw/zinc/99/72/16/412997216.db2.gz VICKQLYIJRLQPU-UHFFFAOYSA-N 2 2 295.293 0.738 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C1CC[NH+](C)CC1 ZINC000344551470 285189609 /nfs/dbraw/zinc/18/96/09/285189609.db2.gz ZDRUNIVLPBBYKQ-LLVKDONJSA-N 2 2 250.346 0.730 20 0 CCADLP Cc1cc(NC[C@H]2C[NH2+]CCN2C)nc(C(C)C)[nH+]1 ZINC000394729818 285217464 /nfs/dbraw/zinc/21/74/64/285217464.db2.gz KHABCHBQDVHRDT-GFCCVEGCSA-N 2 2 263.389 0.646 20 0 CCADLP COC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)C1CC1 ZINC000453258061 285238438 /nfs/dbraw/zinc/23/84/38/285238438.db2.gz HOVHKWBKHOJVSZ-ZIAGYGMSSA-N 2 2 256.390 0.848 20 0 CCADLP COC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)C1CC1 ZINC000453258061 285238442 /nfs/dbraw/zinc/23/84/42/285238442.db2.gz HOVHKWBKHOJVSZ-ZIAGYGMSSA-N 2 2 256.390 0.848 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000492948406 285262097 /nfs/dbraw/zinc/26/20/97/285262097.db2.gz IETXVSHLPZBVEI-OWOJBTEDSA-N 2 2 272.312 0.495 20 0 CCADLP CO[C@@H](C[NH2+]Cc1c[nH+]c2n1CCC2)[C@H]1CCOC1 ZINC000657542371 413023832 /nfs/dbraw/zinc/02/38/32/413023832.db2.gz XXOFLBTXAZQVRH-AAEUAGOBSA-N 2 2 265.357 0.970 20 0 CCADLP Cc1nc(CCCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cs1 ZINC000521871969 285292409 /nfs/dbraw/zinc/29/24/09/285292409.db2.gz OBFURIDGYIYGFV-CYBMUJFWSA-N 2 2 296.440 0.876 20 0 CCADLP Cc1nc(CCCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cs1 ZINC000521871969 285292413 /nfs/dbraw/zinc/29/24/13/285292413.db2.gz OBFURIDGYIYGFV-CYBMUJFWSA-N 2 2 296.440 0.876 20 0 CCADLP O=C1C[C@H]([NH2+]CC2(F)CC2)CN1CC[NH+]1CCOCC1 ZINC000525990545 285324691 /nfs/dbraw/zinc/32/46/91/285324691.db2.gz HUZATHQAMVTJHN-LBPRGKRZSA-N 2 2 285.363 0.011 20 0 CCADLP CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000657607619 413036971 /nfs/dbraw/zinc/03/69/71/413036971.db2.gz ZUKHGHCKZPPXER-DGCLKSJQSA-N 2 2 299.396 0.049 20 0 CCADLP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccn[nH]2)CC1 ZINC000185894153 388816782 /nfs/dbraw/zinc/81/67/82/388816782.db2.gz OHZHXACSWQSNGS-UHFFFAOYSA-N 2 2 265.405 0.915 20 0 CCADLP CC[N@H+](CCO)CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000186574789 388842499 /nfs/dbraw/zinc/84/24/99/388842499.db2.gz RCTOGCCIAQGDQL-IHRRRGAJSA-N 2 2 268.401 0.848 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000186574789 388842501 /nfs/dbraw/zinc/84/25/01/388842501.db2.gz RCTOGCCIAQGDQL-IHRRRGAJSA-N 2 2 268.401 0.848 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044529968 388871283 /nfs/dbraw/zinc/87/12/83/388871283.db2.gz RCWFDUPGLRLGTB-NSHDSACASA-N 2 2 270.377 0.283 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044529968 388871286 /nfs/dbraw/zinc/87/12/86/388871286.db2.gz RCWFDUPGLRLGTB-NSHDSACASA-N 2 2 270.377 0.283 20 0 CCADLP CCN(CCC[NH+](C)C)C(=O)NCC[NH+]1CCOCC1 ZINC000188422548 388926777 /nfs/dbraw/zinc/92/67/77/388926777.db2.gz ZJSHJSKZRWODKK-UHFFFAOYSA-N 2 2 286.420 0.302 20 0 CCADLP C[NH2+][C@H]1CCC[N@H+](CCC(=O)Nc2cc(C)on2)C1 ZINC000053204298 388929315 /nfs/dbraw/zinc/92/93/15/388929315.db2.gz DDNMDXBLLGNNJT-NSHDSACASA-N 2 2 266.345 0.995 20 0 CCADLP C[NH2+][C@H]1CCC[N@@H+](CCC(=O)Nc2cc(C)on2)C1 ZINC000053204298 388929316 /nfs/dbraw/zinc/92/93/16/388929316.db2.gz DDNMDXBLLGNNJT-NSHDSACASA-N 2 2 266.345 0.995 20 0 CCADLP CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)C(F)(F)F ZINC000189491407 388962312 /nfs/dbraw/zinc/96/23/12/388962312.db2.gz ZCZPPQPXRCOFLO-SNVBAGLBSA-N 2 2 297.321 0.006 20 0 CCADLP CC[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)C(F)(F)F ZINC000189491407 388962315 /nfs/dbraw/zinc/96/23/15/388962315.db2.gz ZCZPPQPXRCOFLO-SNVBAGLBSA-N 2 2 297.321 0.006 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000188724506 388939511 /nfs/dbraw/zinc/93/95/11/388939511.db2.gz YSZVOYGSMZZPMR-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000292378823 388948724 /nfs/dbraw/zinc/94/87/24/388948724.db2.gz QBLJNQXDFIWKOF-UHFFFAOYSA-N 2 2 263.345 0.410 20 0 CCADLP C[C@@H]1CN(Cc2cccc3[nH+]ccn32)CC[N@@H+]1CCO ZINC000190246551 388986191 /nfs/dbraw/zinc/98/61/91/388986191.db2.gz GTZJRFDGAFXTFD-CYBMUJFWSA-N 2 2 274.368 0.833 20 0 CCADLP C[C@@H]1CN(Cc2cccc3[nH+]ccn32)CC[N@H+]1CCO ZINC000190246551 388986193 /nfs/dbraw/zinc/98/61/93/388986193.db2.gz GTZJRFDGAFXTFD-CYBMUJFWSA-N 2 2 274.368 0.833 20 0 CCADLP C[C@@H]([NH2+]C1CC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000294747377 388993201 /nfs/dbraw/zinc/99/32/01/388993201.db2.gz KLOULDVOKVJLGR-GFCCVEGCSA-N 2 2 274.368 0.871 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000189743123 388970720 /nfs/dbraw/zinc/97/07/20/388970720.db2.gz CEHRJTZEYYDXFR-KBPBESRZSA-N 2 2 283.416 0.386 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000189743123 388970721 /nfs/dbraw/zinc/97/07/21/388970721.db2.gz CEHRJTZEYYDXFR-KBPBESRZSA-N 2 2 283.416 0.386 20 0 CCADLP C[C@H](C[NH2+]Cc1cn2cccnc2n1)C[NH+]1CCOCC1 ZINC000298575927 389032402 /nfs/dbraw/zinc/03/24/02/389032402.db2.gz XIOGQEKPEIAWKC-CYBMUJFWSA-N 2 2 289.383 0.787 20 0 CCADLP CC(C)n1c[nH+]cc1C[NH2+][C@H]1CCC(=O)N(C)C1=O ZINC000090209521 389019718 /nfs/dbraw/zinc/01/97/18/389019718.db2.gz KWDWUCKRLQVCLH-NSHDSACASA-N 2 2 264.329 0.701 20 0 CCADLP CO[C@@H](C)C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000336826418 389024057 /nfs/dbraw/zinc/02/40/57/389024057.db2.gz OIAQZUPUVUTYGY-LBPRGKRZSA-N 2 2 279.388 0.700 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCN1CC[NH+](C)[C@H](C)[C@@H]1C ZINC000337196099 389053519 /nfs/dbraw/zinc/05/35/19/389053519.db2.gz XESLRTDFQZXLTP-MCIONIFRSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCN1CC[NH+](C)[C@H](C)[C@@H]1C ZINC000337196099 389053526 /nfs/dbraw/zinc/05/35/26/389053526.db2.gz XESLRTDFQZXLTP-MCIONIFRSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000337196099 389053530 /nfs/dbraw/zinc/05/35/30/389053530.db2.gz XESLRTDFQZXLTP-MCIONIFRSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000337196099 389053532 /nfs/dbraw/zinc/05/35/32/389053532.db2.gz XESLRTDFQZXLTP-MCIONIFRSA-N 2 2 255.406 0.732 20 0 CCADLP CC(C)(C(=O)N1CC[NH+](C2CCC2)CC1)[NH+]1CCOCC1 ZINC000338183786 389086419 /nfs/dbraw/zinc/08/64/19/389086419.db2.gz CWTYLOTUOXHMNB-UHFFFAOYSA-N 2 2 295.427 0.794 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H](C)S1 ZINC000121150404 389146329 /nfs/dbraw/zinc/14/63/29/389146329.db2.gz JDLRLAOXDDFYKX-TXEJJXNPSA-N 2 2 271.430 0.586 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H](C)S1 ZINC000121150404 389146331 /nfs/dbraw/zinc/14/63/31/389146331.db2.gz JDLRLAOXDDFYKX-TXEJJXNPSA-N 2 2 271.430 0.586 20 0 CCADLP COC(=O)C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000338273512 389102661 /nfs/dbraw/zinc/10/26/61/389102661.db2.gz YCLRNHWQJMGXGH-UHFFFAOYSA-N 2 2 285.388 0.034 20 0 CCADLP COC(=O)C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000338273512 389102663 /nfs/dbraw/zinc/10/26/63/389102663.db2.gz YCLRNHWQJMGXGH-UHFFFAOYSA-N 2 2 285.388 0.034 20 0 CCADLP Cc1nc(N2CC[NH+](C3CCCC3)CC2)nc(N)[nH+]1 ZINC000311961892 389106086 /nfs/dbraw/zinc/10/60/86/389106086.db2.gz IFADPRXMOYWQSQ-UHFFFAOYSA-N 2 2 262.361 0.827 20 0 CCADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313353152 389113421 /nfs/dbraw/zinc/11/34/21/389113421.db2.gz OSFLHFJYVXWASG-RYUDHWBXSA-N 2 2 257.378 0.197 20 0 CCADLP CC(C)CNC(=O)[C@H](C)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313353152 389113422 /nfs/dbraw/zinc/11/34/22/389113422.db2.gz OSFLHFJYVXWASG-RYUDHWBXSA-N 2 2 257.378 0.197 20 0 CCADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313352196 389113482 /nfs/dbraw/zinc/11/34/82/389113482.db2.gz OARASOACJMCIMV-RYUDHWBXSA-N 2 2 257.378 0.197 20 0 CCADLP CC(C)[C@H](C)NC(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313352196 389113483 /nfs/dbraw/zinc/11/34/83/389113483.db2.gz OARASOACJMCIMV-RYUDHWBXSA-N 2 2 257.378 0.197 20 0 CCADLP Cn1c[nH+]cc1C[NH2+][C@H]1CCN(CC(F)(F)F)C1=O ZINC000112101154 389118184 /nfs/dbraw/zinc/11/81/84/389118184.db2.gz DAQUAOJCPFUQPF-VIFPVBQESA-N 2 2 276.262 0.673 20 0 CCADLP CCN(CCC[NH+](C)C)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000338899562 389118614 /nfs/dbraw/zinc/11/86/14/389118614.db2.gz YXDIZGNSHSRAST-ZDUSSCGKSA-N 2 2 271.405 0.507 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CC(=O)N2CCOCC2)[C@H]1C ZINC000316283116 389119223 /nfs/dbraw/zinc/11/92/23/389119223.db2.gz SRZCNEWODGKUIG-AGIUHOORSA-N 2 2 269.389 0.293 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CC(=O)N2CCOCC2)[C@H]1C ZINC000316283116 389119225 /nfs/dbraw/zinc/11/92/25/389119225.db2.gz SRZCNEWODGKUIG-AGIUHOORSA-N 2 2 269.389 0.293 20 0 CCADLP CC[C@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)[C@@H]1C)[NH+](C)C ZINC000356632730 389127043 /nfs/dbraw/zinc/12/70/43/389127043.db2.gz VJXMSQFCSBMQMA-MJBXVCDLSA-N 2 2 283.416 0.648 20 0 CCADLP COCC(=O)N1CCC([NH2+][C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000358018311 389140970 /nfs/dbraw/zinc/14/09/70/389140970.db2.gz ALNOVQLYVVPNOP-YPMHNXCESA-N 2 2 269.389 0.164 20 0 CCADLP COCC(=O)N1CCC([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000358018311 389140974 /nfs/dbraw/zinc/14/09/74/389140974.db2.gz ALNOVQLYVVPNOP-YPMHNXCESA-N 2 2 269.389 0.164 20 0 CCADLP CNC(=O)[C@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)CCO1 ZINC000359656221 389180483 /nfs/dbraw/zinc/18/04/83/389180483.db2.gz VYQBRABNESRFLW-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP CNC(=O)[C@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)CCO1 ZINC000359656221 389180485 /nfs/dbraw/zinc/18/04/85/389180485.db2.gz VYQBRABNESRFLW-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP CNC(=O)[C@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC000359656221 389180488 /nfs/dbraw/zinc/18/04/88/389180488.db2.gz VYQBRABNESRFLW-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP CNC(=O)[C@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)CCO1 ZINC000359656221 389180491 /nfs/dbraw/zinc/18/04/91/389180491.db2.gz VYQBRABNESRFLW-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H](NC(=O)C1(C[NH3+])CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000237485415 389189844 /nfs/dbraw/zinc/18/98/44/389189844.db2.gz XQBLHCKWZIYUAK-OLZOCXBDSA-N 2 2 283.416 0.731 20 0 CCADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000341616803 389190575 /nfs/dbraw/zinc/19/05/75/389190575.db2.gz QZAZPZXIQDSMPC-ZIAGYGMSSA-N 2 2 284.448 0.469 20 0 CCADLP O=C(C[C@@H]1COCC[NH2+]1)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000130203001 389200913 /nfs/dbraw/zinc/20/09/13/389200913.db2.gz BIQNDIZVHHGUQM-GFCCVEGCSA-N 2 2 287.323 0.584 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000232116533 389161183 /nfs/dbraw/zinc/16/11/83/389161183.db2.gz YQKMFZQMRLBIJV-AWEZNQCLSA-N 2 2 292.383 0.090 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCN(S(C)(=O)=O)CC1 ZINC000124821956 389162540 /nfs/dbraw/zinc/16/25/40/389162540.db2.gz ZMGYCCVCJKMJCW-ZDUSSCGKSA-N 2 2 289.445 0.438 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCCN(S(C)(=O)=O)CC1 ZINC000124821956 389162544 /nfs/dbraw/zinc/16/25/44/389162544.db2.gz ZMGYCCVCJKMJCW-ZDUSSCGKSA-N 2 2 289.445 0.438 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000124821956 389162547 /nfs/dbraw/zinc/16/25/47/389162547.db2.gz ZMGYCCVCJKMJCW-ZDUSSCGKSA-N 2 2 289.445 0.438 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000124821956 389162551 /nfs/dbraw/zinc/16/25/51/389162551.db2.gz ZMGYCCVCJKMJCW-ZDUSSCGKSA-N 2 2 289.445 0.438 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000340987670 389175402 /nfs/dbraw/zinc/17/54/02/389175402.db2.gz PLXSTUHVQGUOMM-HZSPNIEDSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000340987670 389175404 /nfs/dbraw/zinc/17/54/04/389175404.db2.gz PLXSTUHVQGUOMM-HZSPNIEDSA-N 2 2 298.431 0.489 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000130407386 389205248 /nfs/dbraw/zinc/20/52/48/389205248.db2.gz LFODLIHKMIZSCL-CYBMUJFWSA-N 2 2 282.388 0.746 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000362818194 389241674 /nfs/dbraw/zinc/24/16/74/389241674.db2.gz SFDAJZIRLWWAMI-HZSPNIEDSA-N 2 2 281.400 0.117 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000362818194 389241676 /nfs/dbraw/zinc/24/16/76/389241676.db2.gz SFDAJZIRLWWAMI-HZSPNIEDSA-N 2 2 281.400 0.117 20 0 CCADLP CC(C)NC(=O)C[NH+]1CCN(CC[NH+]2CCCCC2)CC1 ZINC000253372218 389267364 /nfs/dbraw/zinc/26/73/64/389267364.db2.gz DSVZHRSAULSJOP-UHFFFAOYSA-N 2 2 296.459 0.615 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000363724053 389253127 /nfs/dbraw/zinc/25/31/27/389253127.db2.gz MLGOIVIRCYQRJY-AWEZNQCLSA-N 2 2 281.400 0.404 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000363724053 389253131 /nfs/dbraw/zinc/25/31/31/389253131.db2.gz MLGOIVIRCYQRJY-AWEZNQCLSA-N 2 2 281.400 0.404 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCC(=O)N1CCCCC1 ZINC000342821531 389253943 /nfs/dbraw/zinc/25/39/43/389253943.db2.gz NPHAWQNHMZCVFR-CHWSQXEVSA-N 2 2 253.390 0.929 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCC(=O)N1CCCCC1 ZINC000342821531 389253947 /nfs/dbraw/zinc/25/39/47/389253947.db2.gz NPHAWQNHMZCVFR-CHWSQXEVSA-N 2 2 253.390 0.929 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000342941695 389256015 /nfs/dbraw/zinc/25/60/15/389256015.db2.gz KITLBPQYLWYXRB-HUUCEWRRSA-N 2 2 285.432 0.094 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000342941695 389256017 /nfs/dbraw/zinc/25/60/17/389256017.db2.gz KITLBPQYLWYXRB-HUUCEWRRSA-N 2 2 285.432 0.094 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000342941693 389256100 /nfs/dbraw/zinc/25/61/00/389256100.db2.gz KITLBPQYLWYXRB-CABCVRRESA-N 2 2 285.432 0.094 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](N(C)C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000342941693 389256101 /nfs/dbraw/zinc/25/61/01/389256101.db2.gz KITLBPQYLWYXRB-CABCVRRESA-N 2 2 285.432 0.094 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000130900120 389209129 /nfs/dbraw/zinc/20/91/29/389209129.db2.gz LYVIXAAAWZNZRP-MJBXVCDLSA-N 2 2 285.432 0.927 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000130900120 389209132 /nfs/dbraw/zinc/20/91/32/389209132.db2.gz LYVIXAAAWZNZRP-MJBXVCDLSA-N 2 2 285.432 0.927 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCCN2CCC[NH+](C)CC2)C1 ZINC000361184551 389209474 /nfs/dbraw/zinc/20/94/74/389209474.db2.gz SNXIDAJBOCJJDI-CVEARBPZSA-N 3 2 282.476 0.944 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCCN2CCC[NH+](C)CC2)C1 ZINC000361184551 389209478 /nfs/dbraw/zinc/20/94/78/389209478.db2.gz SNXIDAJBOCJJDI-CVEARBPZSA-N 3 2 282.476 0.944 20 0 CCADLP CC[NH+]1C[C@@H](C)[C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)C1 ZINC000361184551 389209480 /nfs/dbraw/zinc/20/94/80/389209480.db2.gz SNXIDAJBOCJJDI-CVEARBPZSA-N 3 2 282.476 0.944 20 0 CCADLP CC[NH+]1C[C@@H](C)[C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C1 ZINC000361184551 389209484 /nfs/dbraw/zinc/20/94/84/389209484.db2.gz SNXIDAJBOCJJDI-CVEARBPZSA-N 3 2 282.476 0.944 20 0 CCADLP Cc1cc(N2CC[NH+](CCCO)CC2)nc(C)[nH+]1 ZINC000264212411 389312954 /nfs/dbraw/zinc/31/29/54/389312954.db2.gz NBLRGONQHGZLDB-UHFFFAOYSA-N 2 2 250.346 0.598 20 0 CCADLP C[C@H](NC(=O)[C@@H]([NH3+])CC(F)F)[C@H](C)[NH+]1CCOCC1 ZINC000345721778 389312961 /nfs/dbraw/zinc/31/29/61/389312961.db2.gz VWJISNFDXMKSEA-GUBZILKMSA-N 2 2 279.331 0.194 20 0 CCADLP OC1(C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)CCCC1 ZINC000332108315 389337304 /nfs/dbraw/zinc/33/73/04/389337304.db2.gz SEBJCLNTKKIAIU-UHFFFAOYSA-N 2 2 264.373 0.832 20 0 CCADLP C[C@@H]1CC[C@H](C[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)O1 ZINC000364495277 389269780 /nfs/dbraw/zinc/26/97/80/389269780.db2.gz ZZRWIRGTKOPKBP-BPLDGKMQSA-N 2 2 295.427 0.968 20 0 CCADLP C[C@@H]1CC[C@H](C[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)O1 ZINC000364495277 389269782 /nfs/dbraw/zinc/26/97/82/389269782.db2.gz ZZRWIRGTKOPKBP-BPLDGKMQSA-N 2 2 295.427 0.968 20 0 CCADLP COC(=O)[C@@H]1CCCC[N@@H+]1CCc1c[nH+]cn1C ZINC000259732984 389270674 /nfs/dbraw/zinc/27/06/74/389270674.db2.gz OXYSGFUXWKDVEB-LBPRGKRZSA-N 2 2 251.330 0.990 20 0 CCADLP COC(=O)[C@@H]1CCCC[N@H+]1CCc1c[nH+]cn1C ZINC000259732984 389270675 /nfs/dbraw/zinc/27/06/75/389270675.db2.gz OXYSGFUXWKDVEB-LBPRGKRZSA-N 2 2 251.330 0.990 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000348199744 389370020 /nfs/dbraw/zinc/37/00/20/389370020.db2.gz RHFREERRGKHZRZ-GFCCVEGCSA-N 2 2 298.456 0.703 20 0 CCADLP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000349669121 389419253 /nfs/dbraw/zinc/41/92/53/389419253.db2.gz PUCCOZIUYRHWHJ-KGLIPLIRSA-N 2 2 299.463 0.262 20 0 CCADLP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000349669121 389419255 /nfs/dbraw/zinc/41/92/55/389419255.db2.gz PUCCOZIUYRHWHJ-KGLIPLIRSA-N 2 2 299.463 0.262 20 0 CCADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000333012420 389402820 /nfs/dbraw/zinc/40/28/20/389402820.db2.gz UNYFPKISCIKGJQ-AAEUAGOBSA-N 2 2 274.368 0.941 20 0 CCADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000333012420 389402823 /nfs/dbraw/zinc/40/28/23/389402823.db2.gz UNYFPKISCIKGJQ-AAEUAGOBSA-N 2 2 274.368 0.941 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H]2CCC(C)(C)O2)CC1 ZINC000411164647 389418259 /nfs/dbraw/zinc/41/82/59/389418259.db2.gz MQBUPOCCTMNAMO-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C[C@H](O)C[NH+]1CCOCC1 ZINC000347274283 389351140 /nfs/dbraw/zinc/35/11/40/389351140.db2.gz AAGYKWRFRUMUFN-BZUAXINKSA-N 2 2 297.443 0.238 20 0 CCADLP C[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCOCC1(C)C ZINC000332577522 389355146 /nfs/dbraw/zinc/35/51/46/389355146.db2.gz ZRDSGFBDCNDEEH-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP C[N@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCOCC1(C)C ZINC000332577522 389355149 /nfs/dbraw/zinc/35/51/49/389355149.db2.gz ZRDSGFBDCNDEEH-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+]1CCC[C@H]1CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000332577522 389355153 /nfs/dbraw/zinc/35/51/53/389355153.db2.gz ZRDSGFBDCNDEEH-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+]1CCC[C@H]1CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000332577522 389355157 /nfs/dbraw/zinc/35/51/57/389355157.db2.gz ZRDSGFBDCNDEEH-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]([NH2+]Cc1ccc(C(N)=O)nc1)[C@@H]1CCC[NH2+]1 ZINC000422860080 389493570 /nfs/dbraw/zinc/49/35/70/389493570.db2.gz HXNOYHROTOVFQZ-NEPJUHHUSA-N 2 2 262.357 0.801 20 0 CCADLP [NH3+]C1CCC(NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000422757874 389468969 /nfs/dbraw/zinc/46/89/69/389468969.db2.gz IITYKODBUKVZAP-NRXISQOPSA-N 2 2 295.427 0.873 20 0 CCADLP [NH3+]C1CCC(NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000422757874 389468973 /nfs/dbraw/zinc/46/89/73/389468973.db2.gz IITYKODBUKVZAP-NRXISQOPSA-N 2 2 295.427 0.873 20 0 CCADLP CO[C@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C1CC1 ZINC000350164593 389493979 /nfs/dbraw/zinc/49/39/79/389493979.db2.gz ROUHJPAOHUYIFB-AWEZNQCLSA-N 2 2 283.416 0.554 20 0 CCADLP [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000422770526 389471114 /nfs/dbraw/zinc/47/11/14/389471114.db2.gz QFIQGAAJXMRMIL-KBPBESRZSA-N 2 2 281.400 0.295 20 0 CCADLP [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000422770526 389471116 /nfs/dbraw/zinc/47/11/16/389471116.db2.gz QFIQGAAJXMRMIL-KBPBESRZSA-N 2 2 281.400 0.295 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000422794549 389476819 /nfs/dbraw/zinc/47/68/19/389476819.db2.gz YYAGDEHEFZPEIY-CHWSQXEVSA-N 2 2 269.389 0.356 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000422794549 389476822 /nfs/dbraw/zinc/47/68/22/389476822.db2.gz YYAGDEHEFZPEIY-CHWSQXEVSA-N 2 2 269.389 0.356 20 0 CCADLP CC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422791867 389477121 /nfs/dbraw/zinc/47/71/21/389477121.db2.gz VLFUMONSVMYRQN-CABCVRRESA-N 3 2 268.449 0.744 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000422806083 389479620 /nfs/dbraw/zinc/47/96/20/389479620.db2.gz JYGBYJXVSBJBBA-UONOGXRCSA-N 2 2 283.416 0.603 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000422806083 389479622 /nfs/dbraw/zinc/47/96/22/389479622.db2.gz JYGBYJXVSBJBBA-UONOGXRCSA-N 2 2 283.416 0.603 20 0 CCADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)CCc1c[nH+]cn1C ZINC000334402821 389486016 /nfs/dbraw/zinc/48/60/16/389486016.db2.gz OLHDYDIOIDSENZ-NWDGAFQWSA-N 2 2 264.373 0.904 20 0 CCADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CCc1c[nH+]cn1C ZINC000334402821 389486019 /nfs/dbraw/zinc/48/60/19/389486019.db2.gz OLHDYDIOIDSENZ-NWDGAFQWSA-N 2 2 264.373 0.904 20 0 CCADLP CC(C)[NH+]1CCN(CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000172385125 389488219 /nfs/dbraw/zinc/48/82/19/389488219.db2.gz MSOUUSDBIPOLFV-AWEZNQCLSA-N 2 2 255.406 0.733 20 0 CCADLP CC(C)[NH+]1CCN(CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000172385125 389488223 /nfs/dbraw/zinc/48/82/23/389488223.db2.gz MSOUUSDBIPOLFV-AWEZNQCLSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000333543498 389421497 /nfs/dbraw/zinc/42/14/97/389421497.db2.gz JOLIZCGEOAZLMA-RDBSUJKOSA-N 2 2 297.447 0.014 20 0 CCADLP COCC[NH+]1CCN(C(=O)C2(C[NH3+])CCCC2)CC1 ZINC000164003238 389430846 /nfs/dbraw/zinc/43/08/46/389430846.db2.gz KYLZEQBDNMQIOG-UHFFFAOYSA-N 2 2 269.389 0.296 20 0 CCADLP C[C@@H]1CCN(c2[nH+]cnc3c2cnn3C)C[C@@H]1C[NH3+] ZINC000163962126 389430945 /nfs/dbraw/zinc/43/09/45/389430945.db2.gz FDYLYOGXQREJPL-ZJUUUORDSA-N 2 2 260.345 0.784 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC(C)(C)CC[NH3+] ZINC000422596871 389444237 /nfs/dbraw/zinc/44/42/37/389444237.db2.gz IIBVEJOBMJYQNB-LLVKDONJSA-N 2 2 272.393 0.134 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC(C)(C)CC[NH3+] ZINC000422596871 389444239 /nfs/dbraw/zinc/44/42/39/389444239.db2.gz IIBVEJOBMJYQNB-LLVKDONJSA-N 2 2 272.393 0.134 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCn2cc[nH+]c2C1 ZINC000333857495 389446702 /nfs/dbraw/zinc/44/67/02/389446702.db2.gz RGUNLFFNUKEDAJ-GHMZBOCLSA-N 2 2 263.345 0.406 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)n(C)n1 ZINC000422633868 389447843 /nfs/dbraw/zinc/44/78/43/389447843.db2.gz IXLBPKVGBNXFCZ-RTXFEEFZSA-N 2 2 293.415 0.972 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)n(C)n1 ZINC000422633868 389447846 /nfs/dbraw/zinc/44/78/46/389447846.db2.gz IXLBPKVGBNXFCZ-RTXFEEFZSA-N 2 2 293.415 0.972 20 0 CCADLP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000422692217 389453019 /nfs/dbraw/zinc/45/30/19/389453019.db2.gz JTXZTNCKFPDVKK-SNPRPXQTSA-N 3 2 267.417 0.685 20 0 CCADLP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000422692217 389453022 /nfs/dbraw/zinc/45/30/22/389453022.db2.gz JTXZTNCKFPDVKK-SNPRPXQTSA-N 3 2 267.417 0.685 20 0 CCADLP COCCN1CCC[C@@H]1C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422701938 389454288 /nfs/dbraw/zinc/45/42/88/389454288.db2.gz CSJHTVBRKAVSNC-RBSFLKMASA-N 2 2 285.432 0.454 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC[NH2+]CC1 ZINC000422715597 389456979 /nfs/dbraw/zinc/45/69/79/389456979.db2.gz SPMWOZBUTOYVCA-CYBMUJFWSA-N 2 2 269.389 0.309 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CCC[NH2+]CC1 ZINC000422715597 389456982 /nfs/dbraw/zinc/45/69/82/389456982.db2.gz SPMWOZBUTOYVCA-CYBMUJFWSA-N 2 2 269.389 0.309 20 0 CCADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000422712546 389458005 /nfs/dbraw/zinc/45/80/05/389458005.db2.gz IMRVIUOVNJQTAC-GJZGRUSLSA-N 3 2 289.427 0.803 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@@H](C)C[NH+](CC)CC ZINC000422719975 389458518 /nfs/dbraw/zinc/45/85/18/389458518.db2.gz RVMXLICVZBMJIG-RWMBFGLXSA-N 2 2 271.405 0.600 20 0 CCADLP CC[C@@H](O)C[NH+]1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000276556494 389518024 /nfs/dbraw/zinc/51/80/24/389518024.db2.gz IOQUNKDBBODWER-CYBMUJFWSA-N 2 2 280.372 0.257 20 0 CCADLP CC[C@@H](O)C[NH+]1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000276556494 389518029 /nfs/dbraw/zinc/51/80/29/389518029.db2.gz IOQUNKDBBODWER-CYBMUJFWSA-N 2 2 280.372 0.257 20 0 CCADLP C1CC1[C@@H]([NH2+][C@H]1C[C@H]2OCCC[C@H]21)[C@H]1C[NH2+]CCO1 ZINC000423063663 389528777 /nfs/dbraw/zinc/52/87/77/389528777.db2.gz XBRLWZIYTDXPOZ-VQJWOFKYSA-N 2 2 266.385 0.911 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000174777039 389529675 /nfs/dbraw/zinc/52/96/75/389529675.db2.gz RGNDEFVKSBQRPF-QWHCGFSZSA-N 2 2 298.431 0.884 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000174777039 389529678 /nfs/dbraw/zinc/52/96/78/389529678.db2.gz RGNDEFVKSBQRPF-QWHCGFSZSA-N 2 2 298.431 0.884 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000174777039 389529681 /nfs/dbraw/zinc/52/96/81/389529681.db2.gz RGNDEFVKSBQRPF-QWHCGFSZSA-N 2 2 298.431 0.884 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000174777039 389529684 /nfs/dbraw/zinc/52/96/84/389529684.db2.gz RGNDEFVKSBQRPF-QWHCGFSZSA-N 2 2 298.431 0.884 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H](O)Cc1ccccc1 ZINC000423099104 389534064 /nfs/dbraw/zinc/53/40/64/389534064.db2.gz AHIDLHTYPYRCMV-CWRNSKLLSA-N 2 2 278.396 0.947 20 0 CCADLP C[C@H](NC[C@H]1CCCC[N@@H+]1CCO)c1c[nH+]ccc1N ZINC000423142843 389541731 /nfs/dbraw/zinc/54/17/31/389541731.db2.gz BJNIYIGOHMDTQY-QWHCGFSZSA-N 2 2 278.400 0.992 20 0 CCADLP C[C@H](NC[C@H]1CCCC[N@H+]1CCO)c1c[nH+]ccc1N ZINC000423142843 389541738 /nfs/dbraw/zinc/54/17/38/389541738.db2.gz BJNIYIGOHMDTQY-QWHCGFSZSA-N 2 2 278.400 0.992 20 0 CCADLP C[C@H]([NH2+]C[C@H]1CCCCN1CCO)c1c[nH+]ccc1N ZINC000423142843 389541740 /nfs/dbraw/zinc/54/17/40/389541740.db2.gz BJNIYIGOHMDTQY-QWHCGFSZSA-N 2 2 278.400 0.992 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)NC[C@H]1CCCC[N@@H+]1CCO ZINC000423146412 389543261 /nfs/dbraw/zinc/54/32/61/389543261.db2.gz PDZJFTYKXUBVPO-QLFBSQMISA-N 2 2 285.432 0.190 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)NC[C@H]1CCCC[N@H+]1CCO ZINC000423146412 389543264 /nfs/dbraw/zinc/54/32/64/389543264.db2.gz PDZJFTYKXUBVPO-QLFBSQMISA-N 2 2 285.432 0.190 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H]1CCCCN1CCO ZINC000423146412 389543269 /nfs/dbraw/zinc/54/32/69/389543269.db2.gz PDZJFTYKXUBVPO-QLFBSQMISA-N 2 2 285.432 0.190 20 0 CCADLP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000423147182 389544444 /nfs/dbraw/zinc/54/44/44/389544444.db2.gz RICVJSOIMZWWFU-UONOGXRCSA-N 3 2 257.422 0.940 20 0 CCADLP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000423147182 389544448 /nfs/dbraw/zinc/54/44/48/389544448.db2.gz RICVJSOIMZWWFU-UONOGXRCSA-N 3 2 257.422 0.940 20 0 CCADLP CC[C@H](C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C)[NH+](C)C ZINC000413678380 389548750 /nfs/dbraw/zinc/54/87/50/389548750.db2.gz VBEKYQBZVAYTEF-CHWSQXEVSA-N 2 2 299.415 0.422 20 0 CCADLP CC[C@H](C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C)[NH+](C)C ZINC000413678380 389548752 /nfs/dbraw/zinc/54/87/52/389548752.db2.gz VBEKYQBZVAYTEF-CHWSQXEVSA-N 2 2 299.415 0.422 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423283059 389559969 /nfs/dbraw/zinc/55/99/69/389559969.db2.gz WZBPJHCQCHSPMF-MCIONIFRSA-N 3 2 255.406 0.733 20 0 CCADLP C[N@H+]1C[C@H]2CN(c3nc[nH+]c(N)c3Cl)C[C@H]2C1 ZINC000278841957 389563437 /nfs/dbraw/zinc/56/34/37/389563437.db2.gz WGBWHIVACXWOLR-OCAPTIKFSA-N 2 2 253.737 0.710 20 0 CCADLP C[N@@H+]1C[C@H]2CN(c3nc[nH+]c(N)c3Cl)C[C@H]2C1 ZINC000278841957 389563441 /nfs/dbraw/zinc/56/34/41/389563441.db2.gz WGBWHIVACXWOLR-OCAPTIKFSA-N 2 2 253.737 0.710 20 0 CCADLP COCC[NH2+]CC[NH2+][C@H](Cn1cccn1)C(C)C ZINC000423319745 389564403 /nfs/dbraw/zinc/56/44/03/389564403.db2.gz CWMRXZHJECNTMW-CYBMUJFWSA-N 2 2 254.378 0.733 20 0 CCADLP C[C@H]1C[N@@H+](Cc2cnn(C)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374326514 389567296 /nfs/dbraw/zinc/56/72/96/389567296.db2.gz SQCUFOGLVMQJCT-GOEBONIOSA-N 2 2 291.443 0.878 20 0 CCADLP COCC[NH2+]CC[NH2+][C@H]1COc2ccc(OC)cc2C1 ZINC000423335157 389567607 /nfs/dbraw/zinc/56/76/07/389567607.db2.gz POQIGFYPCBWXCU-CYBMUJFWSA-N 2 2 280.368 0.824 20 0 CCADLP C[C@@H](O)CNc1cc(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)nc[nH+]1 ZINC000413322439 389496212 /nfs/dbraw/zinc/49/62/12/389496212.db2.gz SCPRWUZWFIYYNN-GRYCIOLGSA-N 2 2 277.372 0.410 20 0 CCADLP C[C@@H](O)CNc1cc(N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)nc[nH+]1 ZINC000413322439 389496215 /nfs/dbraw/zinc/49/62/15/389496215.db2.gz SCPRWUZWFIYYNN-GRYCIOLGSA-N 2 2 277.372 0.410 20 0 CCADLP COCC[N@@H+]1CC[C@H](N[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000422888304 389499698 /nfs/dbraw/zinc/49/96/98/389499698.db2.gz MNVSNTZWHKHYLN-SOUVJXGZSA-N 2 2 283.416 0.064 20 0 CCADLP COCC[N@H+]1CC[C@H](N[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000422888304 389499701 /nfs/dbraw/zinc/49/97/01/389499701.db2.gz MNVSNTZWHKHYLN-SOUVJXGZSA-N 2 2 283.416 0.064 20 0 CCADLP COCCN1CC[C@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000422888304 389499706 /nfs/dbraw/zinc/49/97/06/389499706.db2.gz MNVSNTZWHKHYLN-SOUVJXGZSA-N 2 2 283.416 0.064 20 0 CCADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000422914703 389504188 /nfs/dbraw/zinc/50/41/88/389504188.db2.gz VONSIAWGXSFZTB-ZIAGYGMSSA-N 3 2 255.406 0.829 20 0 CCADLP Cn1nccc1C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000374800561 389609045 /nfs/dbraw/zinc/60/90/45/389609045.db2.gz PLJGXVKFDKFXJJ-UHFFFAOYSA-N 2 2 294.399 0.079 20 0 CCADLP Cc1cccc2ncc(C[NH2+]C[C@H]3C[NH2+]CCN3C)n21 ZINC000414963996 389647665 /nfs/dbraw/zinc/64/76/65/389647665.db2.gz LKEZBBLIXXHAIM-CYBMUJFWSA-N 2 2 273.384 0.636 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424418977 389624398 /nfs/dbraw/zinc/62/43/98/389624398.db2.gz ZMJZCZICJPLQLA-QJPTWQEYSA-N 2 2 265.361 0.841 20 0 CCADLP COC(=O)[C@@H]1COCC[N@@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414744271 389634245 /nfs/dbraw/zinc/63/42/45/389634245.db2.gz PIISQLNMAQXLGK-TUAOUCFPSA-N 2 2 256.346 0.248 20 0 CCADLP COC(=O)[C@@H]1COCC[N@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414744271 389634247 /nfs/dbraw/zinc/63/42/47/389634247.db2.gz PIISQLNMAQXLGK-TUAOUCFPSA-N 2 2 256.346 0.248 20 0 CCADLP CCNC(=O)C[NH+]1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000351614516 389635046 /nfs/dbraw/zinc/63/50/46/389635046.db2.gz HAOIHWYAZKGHED-HNNXBMFYSA-N 2 2 296.459 0.615 20 0 CCADLP CCNC(=O)C[NH+]1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000351614516 389635049 /nfs/dbraw/zinc/63/50/49/389635049.db2.gz HAOIHWYAZKGHED-HNNXBMFYSA-N 2 2 296.459 0.615 20 0 CCADLP COC(=O)CCn1nc(C)c(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)c1C ZINC000414767587 389636814 /nfs/dbraw/zinc/63/68/14/389636814.db2.gz JDIIQAXWLOTSCV-JSGCOSHPSA-N 2 2 294.399 0.985 20 0 CCADLP COC(=O)CCn1nc(C)c(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)c1C ZINC000414767587 389636815 /nfs/dbraw/zinc/63/68/15/389636815.db2.gz JDIIQAXWLOTSCV-JSGCOSHPSA-N 2 2 294.399 0.985 20 0 CCADLP CCC[NH+]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000336530150 389643745 /nfs/dbraw/zinc/64/37/45/389643745.db2.gz JWGOGTPCZOJWRY-ZDUSSCGKSA-N 2 2 276.384 1.000 20 0 CCADLP C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CC[NH2+]C1 ZINC000414892793 389644068 /nfs/dbraw/zinc/64/40/68/389644068.db2.gz YOICTLQMNGMYPI-WCBMZHEXSA-N 2 2 273.178 0.986 20 0 CCADLP C[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335547078 389574343 /nfs/dbraw/zinc/57/43/43/389574343.db2.gz CSZDOBGZXKMDFE-RYUDHWBXSA-N 2 2 262.357 0.608 20 0 CCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335547078 389574345 /nfs/dbraw/zinc/57/43/45/389574345.db2.gz CSZDOBGZXKMDFE-RYUDHWBXSA-N 2 2 262.357 0.608 20 0 CCADLP CCCC[N@@H+](CC(N)=O)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351332675 389574733 /nfs/dbraw/zinc/57/47/33/389574733.db2.gz AVDCWSAIODTZSN-LBPRGKRZSA-N 2 2 257.378 0.029 20 0 CCADLP CCCC[N@H+](CC(N)=O)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351332675 389574737 /nfs/dbraw/zinc/57/47/37/389574737.db2.gz AVDCWSAIODTZSN-LBPRGKRZSA-N 2 2 257.378 0.029 20 0 CCADLP CCCC[NH+](CC(N)=O)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351332675 389574743 /nfs/dbraw/zinc/57/47/43/389574743.db2.gz AVDCWSAIODTZSN-LBPRGKRZSA-N 2 2 257.378 0.029 20 0 CCADLP CCCC[NH+](CC(N)=O)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351332675 389574750 /nfs/dbraw/zinc/57/47/50/389574750.db2.gz AVDCWSAIODTZSN-LBPRGKRZSA-N 2 2 257.378 0.029 20 0 CCADLP Cn1ncnc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000177201723 389575087 /nfs/dbraw/zinc/57/50/87/389575087.db2.gz KNAWPLSLBPALFZ-UHFFFAOYSA-N 2 2 251.378 0.979 20 0 CCADLP COCCN(CC[NH+](C)C)C(=O)Cc1[nH]c[nH+]c1C ZINC000279428402 389576276 /nfs/dbraw/zinc/57/62/76/389576276.db2.gz MDTYFMXLFOULLN-UHFFFAOYSA-N 2 2 268.361 0.297 20 0 CCADLP CC(C)C(=O)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000335688912 389585338 /nfs/dbraw/zinc/58/53/38/389585338.db2.gz NKBCJSZSKCZDNP-ZDUSSCGKSA-N 2 2 253.390 0.786 20 0 CCADLP CCC[N@H+](CC)CCNC(=O)[C@H]([NH3+])c1cscn1 ZINC000423433165 389586586 /nfs/dbraw/zinc/58/65/86/389586586.db2.gz MXWKXWMOKQCUOO-LLVKDONJSA-N 2 2 270.402 0.991 20 0 CCADLP CCC[N@@H+](CC)CCNC(=O)[C@H]([NH3+])c1cscn1 ZINC000423433165 389586590 /nfs/dbraw/zinc/58/65/90/389586590.db2.gz MXWKXWMOKQCUOO-LLVKDONJSA-N 2 2 270.402 0.991 20 0 CCADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)Nc3ccncc3)C[C@H]12 ZINC000351479007 389586766 /nfs/dbraw/zinc/58/67/66/389586766.db2.gz QPUFWAVNVAWVDO-KGYLQXTDSA-N 2 2 260.341 0.111 20 0 CCADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)Nc3ccncc3)C[C@H]12 ZINC000351479007 389586768 /nfs/dbraw/zinc/58/67/68/389586768.db2.gz QPUFWAVNVAWVDO-KGYLQXTDSA-N 2 2 260.341 0.111 20 0 CCADLP CCC[NH2+]CCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000423459810 389589900 /nfs/dbraw/zinc/58/99/00/389589900.db2.gz LXRZPPAREIOJDO-CQSZACIVSA-N 2 2 283.416 0.603 20 0 CCADLP CCC[NH2+]CCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000423459810 389589902 /nfs/dbraw/zinc/58/99/02/389589902.db2.gz LXRZPPAREIOJDO-CQSZACIVSA-N 2 2 283.416 0.603 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@@H](C[NH3+])C1CCCC1 ZINC000423496830 389595162 /nfs/dbraw/zinc/59/51/62/389595162.db2.gz FMNGSHKQCLSQMI-RWMBFGLXSA-N 2 2 269.389 0.387 20 0 CCADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423496830 389595166 /nfs/dbraw/zinc/59/51/66/389595166.db2.gz FMNGSHKQCLSQMI-RWMBFGLXSA-N 2 2 269.389 0.387 20 0 CCADLP CC[NH+]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000351498309 389595754 /nfs/dbraw/zinc/59/57/54/389595754.db2.gz KJWZYRAYMPMXMZ-UHFFFAOYSA-N 2 2 269.389 0.261 20 0 CCADLP C[C@@H](CO)N(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000374653375 389597176 /nfs/dbraw/zinc/59/71/76/389597176.db2.gz BFAIDSSGEWNXDB-STQMWFEESA-N 2 2 298.431 0.177 20 0 CCADLP C[C@@H](CO)N(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000374653375 389597182 /nfs/dbraw/zinc/59/71/82/389597182.db2.gz BFAIDSSGEWNXDB-STQMWFEESA-N 2 2 298.431 0.177 20 0 CCADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000351931652 389717698 /nfs/dbraw/zinc/71/76/98/389717698.db2.gz SLLPCASLTHZMAX-CQSZACIVSA-N 2 2 278.356 0.887 20 0 CCADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000351931652 389717702 /nfs/dbraw/zinc/71/77/02/389717702.db2.gz SLLPCASLTHZMAX-CQSZACIVSA-N 2 2 278.356 0.887 20 0 CCADLP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2C[NH2+]CCN2C)o1 ZINC000414975230 389650776 /nfs/dbraw/zinc/65/07/76/389650776.db2.gz LOSQBOAENFBDFB-ZDUSSCGKSA-N 2 2 289.383 0.971 20 0 CCADLP COc1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc2c1OCCO2 ZINC000415030875 389652957 /nfs/dbraw/zinc/65/29/57/389652957.db2.gz FMGZPALAJPGFBE-YABSGUDNSA-N 2 2 276.336 0.774 20 0 CCADLP c1ccc(N2CCOCC2)c(C[NH2+]C[C@@H]2C[NH2+]CCO2)c1 ZINC000415096217 389658648 /nfs/dbraw/zinc/65/86/48/389658648.db2.gz PKCDNFBZOCQIQM-HNNXBMFYSA-N 2 2 291.395 0.601 20 0 CCADLP COCc1cccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)c1 ZINC000415098886 389658712 /nfs/dbraw/zinc/65/87/12/389658712.db2.gz WXRJGLNOMKDWQN-AWEZNQCLSA-N 2 2 250.342 0.911 20 0 CCADLP COCCOc1cccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)c1 ZINC000415099952 389659919 /nfs/dbraw/zinc/65/99/19/389659919.db2.gz ZTQFKQUUCAHTPB-HNNXBMFYSA-N 2 2 280.368 0.790 20 0 CCADLP C([NH2+][C@@H]1CC[NH2+]C1)C1(N2CCOCC2)CCCCC1 ZINC000415099229 389659941 /nfs/dbraw/zinc/65/99/41/389659941.db2.gz GKRTVHMRIRJMAB-CQSZACIVSA-N 2 2 267.417 0.973 20 0 CCADLP C[N@@H+](C[C@H]1CCS(=O)(=O)C1)C[C@@H]1CCC[NH+](C)C1 ZINC000336694002 389663374 /nfs/dbraw/zinc/66/33/74/389663374.db2.gz DFLJPAWYXBESAV-CHWSQXEVSA-N 2 2 274.430 0.695 20 0 CCADLP C[NH+](C[C@H]1CCS(=O)(=O)C1)C[C@@H]1CCC[N@H+](C)C1 ZINC000336694002 389663376 /nfs/dbraw/zinc/66/33/76/389663376.db2.gz DFLJPAWYXBESAV-CHWSQXEVSA-N 2 2 274.430 0.695 20 0 CCADLP C[NH+](C[C@H]1CCS(=O)(=O)C1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000336694002 389663379 /nfs/dbraw/zinc/66/33/79/389663379.db2.gz DFLJPAWYXBESAV-CHWSQXEVSA-N 2 2 274.430 0.695 20 0 CCADLP C[C@@H]1CSCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000180504737 389671240 /nfs/dbraw/zinc/67/12/40/389671240.db2.gz XUTYJOFVLVKJTB-LLVKDONJSA-N 2 2 257.403 0.198 20 0 CCADLP C[C@@H]1CSCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000180504737 389671243 /nfs/dbraw/zinc/67/12/43/389671243.db2.gz XUTYJOFVLVKJTB-LLVKDONJSA-N 2 2 257.403 0.198 20 0 CCADLP O=C1CCC[C@H]1[C@@H]1COCC[N@@H+]1CCn1cc[nH+]c1 ZINC000375535971 389685477 /nfs/dbraw/zinc/68/54/77/389685477.db2.gz SBINMIKOFLIOIR-STQMWFEESA-N 2 2 263.341 0.953 20 0 CCADLP O=C1CCC[C@H]1[C@@H]1COCC[N@H+]1CCn1cc[nH+]c1 ZINC000375535971 389685480 /nfs/dbraw/zinc/68/54/80/389685480.db2.gz SBINMIKOFLIOIR-STQMWFEESA-N 2 2 263.341 0.953 20 0 CCADLP CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000375650924 389696983 /nfs/dbraw/zinc/69/69/83/389696983.db2.gz FNABUJSHPBPCAO-GFCCVEGCSA-N 2 2 277.434 0.294 20 0 CCADLP CN(C)S(=O)(=O)CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000375650924 389696984 /nfs/dbraw/zinc/69/69/84/389696984.db2.gz FNABUJSHPBPCAO-GFCCVEGCSA-N 2 2 277.434 0.294 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N(C)CC(F)(F)F)C1 ZINC000351848614 389697664 /nfs/dbraw/zinc/69/76/64/389697664.db2.gz DMKAPPKVVQPZBS-DTWKUNHWSA-N 2 2 267.295 0.676 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N(C)CC(F)(F)F)C1 ZINC000351848614 389697665 /nfs/dbraw/zinc/69/76/65/389697665.db2.gz DMKAPPKVVQPZBS-DTWKUNHWSA-N 2 2 267.295 0.676 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)n(C)n1 ZINC000351856734 389700303 /nfs/dbraw/zinc/70/03/03/389700303.db2.gz VYJSTTMQAHWRRO-QWRGUYRKSA-N 2 2 265.361 0.336 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)n(C)n1 ZINC000351856734 389700306 /nfs/dbraw/zinc/70/03/06/389700306.db2.gz VYJSTTMQAHWRRO-QWRGUYRKSA-N 2 2 265.361 0.336 20 0 CCADLP COCCc1noc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000351861617 389701789 /nfs/dbraw/zinc/70/17/89/389701789.db2.gz LBRSFAUKWIAQMR-UWVGGRQHSA-N 2 2 254.334 0.428 20 0 CCADLP COCCc1noc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000351861617 389701792 /nfs/dbraw/zinc/70/17/92/389701792.db2.gz LBRSFAUKWIAQMR-UWVGGRQHSA-N 2 2 254.334 0.428 20 0 CCADLP COC(=O)[C@@](C)(O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000429696020 389767128 /nfs/dbraw/zinc/76/71/28/389767128.db2.gz QSBGXMPYXHOISV-LBPRGKRZSA-N 2 2 255.318 0.129 20 0 CCADLP COC(=O)[C@@](C)(O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000429696020 389767129 /nfs/dbraw/zinc/76/71/29/389767129.db2.gz QSBGXMPYXHOISV-LBPRGKRZSA-N 2 2 255.318 0.129 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](OC)C[C@H]1C ZINC000388860030 389770871 /nfs/dbraw/zinc/77/08/71/389770871.db2.gz AKGBSGPMAVTCPF-RDBSUJKOSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](OC)C[C@H]1C ZINC000388860030 389770872 /nfs/dbraw/zinc/77/08/72/389770872.db2.gz AKGBSGPMAVTCPF-RDBSUJKOSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](OC)C[C@H]1C ZINC000388860030 389770873 /nfs/dbraw/zinc/77/08/73/389770873.db2.gz AKGBSGPMAVTCPF-RDBSUJKOSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](OC)C[C@H]1C ZINC000388860030 389770875 /nfs/dbraw/zinc/77/08/75/389770875.db2.gz AKGBSGPMAVTCPF-RDBSUJKOSA-N 2 2 274.405 0.425 20 0 CCADLP C[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2CCOCC2)[C@H](C)C[NH2+]1 ZINC000416814407 389773138 /nfs/dbraw/zinc/77/31/38/389773138.db2.gz GTLHTSCVLPNZRT-CHWSQXEVSA-N 2 2 298.431 0.489 20 0 CCADLP CC(C)(CNC(=O)N1CCCC[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000416835298 389775342 /nfs/dbraw/zinc/77/53/42/389775342.db2.gz YKCKMBMIYSCHSA-ZDUSSCGKSA-N 2 2 298.431 0.620 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCn1cc[nH+]c1 ZINC000416860286 389777100 /nfs/dbraw/zinc/77/71/00/389777100.db2.gz VNXFLVFGKOEWJS-NEPJUHHUSA-N 2 2 265.361 0.794 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417016706 389790465 /nfs/dbraw/zinc/79/04/65/389790465.db2.gz DBVZTGWRZCFPLR-GXTWGEPZSA-N 2 2 298.431 0.524 20 0 CCADLP C[C@@H](C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000352326767 389791208 /nfs/dbraw/zinc/79/12/08/389791208.db2.gz NNMCMEFHOCDISK-GJZGRUSLSA-N 2 2 295.427 0.651 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@]2(CCOC2)O1 ZINC000352342389 389792808 /nfs/dbraw/zinc/79/28/08/389792808.db2.gz RTXUDAVEUMBSGF-YUELXQCFSA-N 2 2 284.400 0.321 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@]2(CCOC2)O1 ZINC000352342389 389792811 /nfs/dbraw/zinc/79/28/11/389792811.db2.gz RTXUDAVEUMBSGF-YUELXQCFSA-N 2 2 284.400 0.321 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)C[C@]2(CCOC2)O1 ZINC000352342389 389792812 /nfs/dbraw/zinc/79/28/12/389792812.db2.gz RTXUDAVEUMBSGF-YUELXQCFSA-N 2 2 284.400 0.321 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C[C@]2(CCOC2)O1 ZINC000352342389 389792814 /nfs/dbraw/zinc/79/28/14/389792814.db2.gz RTXUDAVEUMBSGF-YUELXQCFSA-N 2 2 284.400 0.321 20 0 CCADLP O=C(NCCCNc1cccc[nH+]1)N1CCC[NH2+]CC1 ZINC000417071043 389793308 /nfs/dbraw/zinc/79/33/08/389793308.db2.gz GMUDLEWGQNTWCY-UHFFFAOYSA-N 2 2 277.372 0.889 20 0 CCADLP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)NCC3CC3)C2)C1 ZINC000429005860 389732858 /nfs/dbraw/zinc/73/28/58/389732858.db2.gz KOAYIFCQBLEGLB-CQSZACIVSA-N 2 2 251.374 0.540 20 0 CCADLP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)NCC3CC3)C2)C1 ZINC000429005860 389732861 /nfs/dbraw/zinc/73/28/61/389732861.db2.gz KOAYIFCQBLEGLB-CQSZACIVSA-N 2 2 251.374 0.540 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)NCC3CC3)C2)C1 ZINC000429005860 389732864 /nfs/dbraw/zinc/73/28/64/389732864.db2.gz KOAYIFCQBLEGLB-CQSZACIVSA-N 2 2 251.374 0.540 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)NCC3CC3)C2)C1 ZINC000429005860 389732867 /nfs/dbraw/zinc/73/28/67/389732867.db2.gz KOAYIFCQBLEGLB-CQSZACIVSA-N 2 2 251.374 0.540 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416314587 389733631 /nfs/dbraw/zinc/73/36/31/389733631.db2.gz SVRAQLGXOJHVOU-VXGBXAGGSA-N 2 2 280.372 0.105 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000416314587 389733632 /nfs/dbraw/zinc/73/36/32/389733632.db2.gz SVRAQLGXOJHVOU-VXGBXAGGSA-N 2 2 280.372 0.105 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429031529 389733794 /nfs/dbraw/zinc/73/37/94/389733794.db2.gz UOZJGFFAKIBLMR-HNNXBMFYSA-N 2 2 296.415 0.496 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429031529 389733797 /nfs/dbraw/zinc/73/37/97/389733797.db2.gz UOZJGFFAKIBLMR-HNNXBMFYSA-N 2 2 296.415 0.496 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429031529 389733799 /nfs/dbraw/zinc/73/37/99/389733799.db2.gz UOZJGFFAKIBLMR-HNNXBMFYSA-N 2 2 296.415 0.496 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000429031529 389733801 /nfs/dbraw/zinc/73/38/01/389733801.db2.gz UOZJGFFAKIBLMR-HNNXBMFYSA-N 2 2 296.415 0.496 20 0 CCADLP C[C@@H]([NH3+])CCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000429041696 389734649 /nfs/dbraw/zinc/73/46/49/389734649.db2.gz PRORZUBBIBBQBQ-CYBMUJFWSA-N 2 2 291.395 0.986 20 0 CCADLP CC1(CNC(=O)NCCCn2cc[nH+]c2)CC[NH2+]CC1 ZINC000416431912 389741945 /nfs/dbraw/zinc/74/19/45/389741945.db2.gz CRZYTEGRPCAJSB-UHFFFAOYSA-N 2 2 279.388 0.962 20 0 CCADLP CCC([NH3+])(CC)CNC(=O)NCC[NH+]1CCOCC1 ZINC000416435190 389742780 /nfs/dbraw/zinc/74/27/80/389742780.db2.gz YOPRNPLZMFVLGK-UHFFFAOYSA-N 2 2 272.393 0.135 20 0 CCADLP [NH3+]C[C@H]1CC[C@H](CNC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000416435483 389743252 /nfs/dbraw/zinc/74/32/52/389743252.db2.gz FFCCYXVRTMQBME-HDJSIYSDSA-N 2 2 298.431 0.383 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000430548439 389807129 /nfs/dbraw/zinc/80/71/29/389807129.db2.gz WOJGTAXLUFSNTM-LSDHHAIUSA-N 3 2 298.475 0.844 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000430548439 389807131 /nfs/dbraw/zinc/80/71/31/389807131.db2.gz WOJGTAXLUFSNTM-LSDHHAIUSA-N 3 2 298.475 0.844 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430559014 389807570 /nfs/dbraw/zinc/80/75/70/389807570.db2.gz WRJHTXPUHAKOMH-KBPBESRZSA-N 2 2 285.432 0.979 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430559014 389807572 /nfs/dbraw/zinc/80/75/72/389807572.db2.gz WRJHTXPUHAKOMH-KBPBESRZSA-N 2 2 285.432 0.979 20 0 CCADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)NC(=O)NCC(F)(F)F ZINC000430561694 389807755 /nfs/dbraw/zinc/80/77/55/389807755.db2.gz NSSVLLYSXDTMHN-JTQLQIEISA-N 2 2 298.309 0.338 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)Nc1ccncc1 ZINC000430586096 389809877 /nfs/dbraw/zinc/80/98/77/389809877.db2.gz RZLCZPCUGSVTNZ-CYBMUJFWSA-N 2 2 264.373 0.747 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)Nc1ccncc1 ZINC000430586096 389809878 /nfs/dbraw/zinc/80/98/78/389809878.db2.gz RZLCZPCUGSVTNZ-CYBMUJFWSA-N 2 2 264.373 0.747 20 0 CCADLP O=C(CC[N@@H+]1CCC[NH2+]CC1)NC(=O)NCC(F)(F)F ZINC000430591593 389810399 /nfs/dbraw/zinc/81/03/99/389810399.db2.gz KQBKFKVNFYNUHR-UHFFFAOYSA-N 2 2 296.293 0.060 20 0 CCADLP O=C(CC[N@H+]1CCC[NH2+]CC1)NC(=O)NCC(F)(F)F ZINC000430591593 389810402 /nfs/dbraw/zinc/81/04/02/389810402.db2.gz KQBKFKVNFYNUHR-UHFFFAOYSA-N 2 2 296.293 0.060 20 0 CCADLP C[C@@](C[NH3+])([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)C1CC1 ZINC000430589162 389810647 /nfs/dbraw/zinc/81/06/47/389810647.db2.gz COFVXCPXBUXCLW-ONGXEEELSA-N 2 2 279.306 0.867 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430598420 389811359 /nfs/dbraw/zinc/81/13/59/389811359.db2.gz DANKCHDQWCJUPL-GHMZBOCLSA-N 2 2 263.345 0.474 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430598420 389811361 /nfs/dbraw/zinc/81/13/61/389811361.db2.gz DANKCHDQWCJUPL-GHMZBOCLSA-N 2 2 263.345 0.474 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000430608814 389812210 /nfs/dbraw/zinc/81/22/10/389812210.db2.gz FFUVZBRDVUGTRJ-UHFFFAOYSA-N 2 2 285.432 0.849 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000430608814 389812213 /nfs/dbraw/zinc/81/22/13/389812213.db2.gz FFUVZBRDVUGTRJ-UHFFFAOYSA-N 2 2 285.432 0.849 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCCN1CCOCC1 ZINC000430614745 389812868 /nfs/dbraw/zinc/81/28/68/389812868.db2.gz AGKBSVQMMMYEDH-ZIAGYGMSSA-N 2 2 255.406 0.910 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCCN1CCOCC1 ZINC000430614745 389812871 /nfs/dbraw/zinc/81/28/71/389812871.db2.gz AGKBSVQMMMYEDH-ZIAGYGMSSA-N 2 2 255.406 0.910 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCCCN1CCC[NH+]1CCOCC1 ZINC000430614745 389812873 /nfs/dbraw/zinc/81/28/73/389812873.db2.gz AGKBSVQMMMYEDH-ZIAGYGMSSA-N 2 2 255.406 0.910 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)NCCCC[NH3+])CCO1 ZINC000417412204 389814198 /nfs/dbraw/zinc/81/41/98/389814198.db2.gz FKIRFCLZFWJTLS-UHFFFAOYSA-N 2 2 272.393 0.135 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)NCCCC[NH3+])CCO1 ZINC000417412204 389814199 /nfs/dbraw/zinc/81/41/99/389814199.db2.gz FKIRFCLZFWJTLS-UHFFFAOYSA-N 2 2 272.393 0.135 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)C2CC[NH2+]CC2)CC1 ZINC000430638342 389814993 /nfs/dbraw/zinc/81/49/93/389814993.db2.gz FLOATTGDGCZWPV-UHFFFAOYSA-N 3 2 296.459 0.659 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)C2CC[NH2+]CC2)CC1 ZINC000430638342 389814997 /nfs/dbraw/zinc/81/49/97/389814997.db2.gz FLOATTGDGCZWPV-UHFFFAOYSA-N 3 2 296.459 0.659 20 0 CCADLP C[C@@H](CNC(=O)C1CC[NH2+]CC1)Cn1cc[nH+]c1 ZINC000430690336 389818122 /nfs/dbraw/zinc/81/81/22/389818122.db2.gz HMNHBLLWEAEETF-NSHDSACASA-N 2 2 250.346 0.635 20 0 CCADLP CNC(=O)[C@H](CCSC)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000352512351 389822340 /nfs/dbraw/zinc/82/23/40/389822340.db2.gz WWONDHKUHPLCBK-TUAOUCFPSA-N 2 2 273.446 0.926 20 0 CCADLP CNC(=O)[C@H](CCSC)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000352512351 389822343 /nfs/dbraw/zinc/82/23/43/389822343.db2.gz WWONDHKUHPLCBK-TUAOUCFPSA-N 2 2 273.446 0.926 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000417504111 389822540 /nfs/dbraw/zinc/82/25/40/389822540.db2.gz LHJZJWXATZGQLF-MNOVXSKESA-N 2 2 272.393 0.132 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000417504111 389822543 /nfs/dbraw/zinc/82/25/43/389822543.db2.gz LHJZJWXATZGQLF-MNOVXSKESA-N 2 2 272.393 0.132 20 0 CCADLP C[N@H+]1CCN(CC[NH2+]Cc2csnn2)CC1(C)C ZINC000443077092 389873267 /nfs/dbraw/zinc/87/32/67/389873267.db2.gz ZAXRSKGEYVQKEZ-UHFFFAOYSA-N 2 2 269.418 0.654 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417517837 389825076 /nfs/dbraw/zinc/82/50/76/389825076.db2.gz REMZQEGRVBVPBY-OCCSQVGLSA-N 2 2 298.431 0.524 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417517837 389825078 /nfs/dbraw/zinc/82/50/78/389825078.db2.gz REMZQEGRVBVPBY-OCCSQVGLSA-N 2 2 298.431 0.524 20 0 CCADLP C[C@H]([C@H](C)NC(=O)NCCC[NH2+]C1CC1)[NH+]1CCOCC1 ZINC000417516080 389825420 /nfs/dbraw/zinc/82/54/20/389825420.db2.gz FZBXSMMPNKGDCV-QWHCGFSZSA-N 2 2 298.431 0.537 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCCC[NH2+]C1CC1 ZINC000417517077 389825458 /nfs/dbraw/zinc/82/54/58/389825458.db2.gz PPWVAJDMIONWSQ-GFCCVEGCSA-N 2 2 284.404 0.148 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCCC[NH2+]C1CC1 ZINC000417517077 389825459 /nfs/dbraw/zinc/82/54/59/389825459.db2.gz PPWVAJDMIONWSQ-GFCCVEGCSA-N 2 2 284.404 0.148 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000417522524 389825683 /nfs/dbraw/zinc/82/56/83/389825683.db2.gz GQIZBPACDORUSQ-STQMWFEESA-N 2 2 284.404 0.230 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000417522524 389825687 /nfs/dbraw/zinc/82/56/87/389825687.db2.gz GQIZBPACDORUSQ-STQMWFEESA-N 2 2 284.404 0.230 20 0 CCADLP C[NH2+][C@@H]1CCCN(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000417521000 389826171 /nfs/dbraw/zinc/82/61/71/389826171.db2.gz OPVYLXGAFGYJQX-MELADBBJSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N1CC[NH2+][C@H](C)[C@@H]1C)[NH+]1CCOCC1 ZINC000417521306 389826182 /nfs/dbraw/zinc/82/61/82/389826182.db2.gz PEIZQYUPJHTVSL-RQJABVFESA-N 2 2 298.431 0.487 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430923819 389835163 /nfs/dbraw/zinc/83/51/63/389835163.db2.gz GLZVJCPWIKQSMY-GFCCVEGCSA-N 2 2 257.378 0.200 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430923819 389835166 /nfs/dbraw/zinc/83/51/66/389835166.db2.gz GLZVJCPWIKQSMY-GFCCVEGCSA-N 2 2 257.378 0.200 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(=O)c(OC)co2)C1 ZINC000430926478 389835810 /nfs/dbraw/zinc/83/58/10/389835810.db2.gz GOYOCOZHANTCBI-JTQLQIEISA-N 2 2 252.314 0.690 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(=O)c(OC)co2)C1 ZINC000430926478 389835812 /nfs/dbraw/zinc/83/58/12/389835812.db2.gz GOYOCOZHANTCBI-JTQLQIEISA-N 2 2 252.314 0.690 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)NC(C)(C)C)C1 ZINC000430933923 389836400 /nfs/dbraw/zinc/83/64/00/389836400.db2.gz MXLCNXZMQKDCMT-GHMZBOCLSA-N 2 2 284.404 0.541 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)NC(C)(C)C)C1 ZINC000430933923 389836402 /nfs/dbraw/zinc/83/64/02/389836402.db2.gz MXLCNXZMQKDCMT-GHMZBOCLSA-N 2 2 284.404 0.541 20 0 CCADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430959903 389841371 /nfs/dbraw/zinc/84/13/71/389841371.db2.gz FIRHBFQMNXRGQR-KFWWJZLASA-N 2 2 297.443 0.979 20 0 CCADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430959903 389841374 /nfs/dbraw/zinc/84/13/74/389841374.db2.gz FIRHBFQMNXRGQR-KFWWJZLASA-N 2 2 297.443 0.979 20 0 CCADLP COCC[NH+]1CCN(Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC000431064502 389848704 /nfs/dbraw/zinc/84/87/04/389848704.db2.gz DSOPDSJKOZTDLI-UHFFFAOYSA-N 2 2 283.376 0.027 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@@H+]2CC[C@]3(CCOC3)C2)n1 ZINC000431106800 389850327 /nfs/dbraw/zinc/85/03/27/389850327.db2.gz OFKAWTSYKZSWEI-ZDUSSCGKSA-N 2 2 266.345 0.876 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@H+]2CC[C@]3(CCOC3)C2)n1 ZINC000431106800 389850331 /nfs/dbraw/zinc/85/03/31/389850331.db2.gz OFKAWTSYKZSWEI-ZDUSSCGKSA-N 2 2 266.345 0.876 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000417829747 389853984 /nfs/dbraw/zinc/85/39/84/389853984.db2.gz ITDUFPTXQNFAJP-AXFHLTTASA-N 2 2 275.343 0.736 20 0 CCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N(C)c1nccs1 ZINC000442751159 389861271 /nfs/dbraw/zinc/86/12/71/389861271.db2.gz BSGPPQSVFFRADN-ZJUUUORDSA-N 2 2 268.386 0.775 20 0 CCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N(C)c1nccs1 ZINC000442751159 389861273 /nfs/dbraw/zinc/86/12/73/389861273.db2.gz BSGPPQSVFFRADN-ZJUUUORDSA-N 2 2 268.386 0.775 20 0 CCADLP C[C@H](C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)CS(C)(=O)=O ZINC000442773597 389862577 /nfs/dbraw/zinc/86/25/77/389862577.db2.gz XYRMKPJVJXQCML-FKJOKYEKSA-N 2 2 274.430 0.882 20 0 CCADLP C[C@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)CS(C)(=O)=O ZINC000442773597 389862579 /nfs/dbraw/zinc/86/25/79/389862579.db2.gz XYRMKPJVJXQCML-FKJOKYEKSA-N 2 2 274.430 0.882 20 0 CCADLP C[NH+]1CCC(CNC(=O)[C@H]2CC[NH2+]2)([NH+]2CCCCC2)CC1 ZINC000444269071 389898550 /nfs/dbraw/zinc/89/85/50/389898550.db2.gz NJMPDXPOQKICMT-CQSZACIVSA-N 3 2 294.443 0.415 20 0 CCADLP CC(C)OC[C@@H](CO)[N@H+](C)CCCn1cc[nH+]c1 ZINC000433145868 389901046 /nfs/dbraw/zinc/90/10/46/389901046.db2.gz JNFLFTPHVQKIHT-CYBMUJFWSA-N 2 2 255.362 0.991 20 0 CCADLP CC(C)OC[C@@H](CO)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000433145868 389901049 /nfs/dbraw/zinc/90/10/49/389901049.db2.gz JNFLFTPHVQKIHT-CYBMUJFWSA-N 2 2 255.362 0.991 20 0 CCADLP CC[C@@](C)(O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000444612110 389910315 /nfs/dbraw/zinc/91/03/15/389910315.db2.gz SPXSHQMIZQQXEF-CYBMUJFWSA-N 2 2 252.362 0.703 20 0 CCADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccnn1C ZINC000447534081 389957287 /nfs/dbraw/zinc/95/72/87/389957287.db2.gz ZUPPQUQXLVLSBX-RYUDHWBXSA-N 2 2 252.362 0.527 20 0 CCADLP COC(=O)Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)nn1 ZINC000447579645 389958147 /nfs/dbraw/zinc/95/81/47/389958147.db2.gz KZLXHIDARPMTMT-VGPLMAKISA-N 2 2 293.371 0.166 20 0 CCADLP COC(=O)Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nn1 ZINC000447579645 389958148 /nfs/dbraw/zinc/95/81/48/389958148.db2.gz KZLXHIDARPMTMT-VGPLMAKISA-N 2 2 293.371 0.166 20 0 CCADLP CC[C@@H](C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)[NH+](C)C ZINC000447657475 389961961 /nfs/dbraw/zinc/96/19/61/389961961.db2.gz SKIWCPGOKJSYPK-ZDUSSCGKSA-N 2 2 285.432 0.896 20 0 CCADLP CC[C@@H](C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)[NH+](C)C ZINC000447657475 389961963 /nfs/dbraw/zinc/96/19/63/389961963.db2.gz SKIWCPGOKJSYPK-ZDUSSCGKSA-N 2 2 285.432 0.896 20 0 CCADLP CC[C@H](C(=O)N(C)[C@H](C)C[NH+]1CCOCC1)[NH+](C)C ZINC000447659992 389962069 /nfs/dbraw/zinc/96/20/69/389962069.db2.gz PYSGMNCAHKWOGP-CHWSQXEVSA-N 2 2 271.405 0.506 20 0 CCADLP C[NH2+]CCC[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000435886382 389965235 /nfs/dbraw/zinc/96/52/35/389965235.db2.gz WRIWVZDBNWUGQO-SECBINFHSA-N 2 2 267.295 0.691 20 0 CCADLP C[NH2+]CCC[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000435886382 389965238 /nfs/dbraw/zinc/96/52/38/389965238.db2.gz WRIWVZDBNWUGQO-SECBINFHSA-N 2 2 267.295 0.691 20 0 CCADLP C[NH2+]CCCN1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000435883311 389965397 /nfs/dbraw/zinc/96/53/97/389965397.db2.gz YKIRZSVTBDVQOE-AWEZNQCLSA-N 2 2 282.432 0.224 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000433609209 389917091 /nfs/dbraw/zinc/91/70/91/389917091.db2.gz OCEORIFNMMSHMR-UHFFFAOYSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000419801328 389917138 /nfs/dbraw/zinc/91/71/38/389917138.db2.gz ANMRLBUVWRRKIC-CHWSQXEVSA-N 2 2 263.341 0.946 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000433609209 389917094 /nfs/dbraw/zinc/91/70/94/389917094.db2.gz OCEORIFNMMSHMR-UHFFFAOYSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H]1C[NH+](CC(=O)N2CC[NH+](C)CC2)C[C@H](CC)O1 ZINC000420946414 390039336 /nfs/dbraw/zinc/03/93/36/390039336.db2.gz BSLBPQSKJJTEMH-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CO[C@H]1CC[N@H+](CCC(=O)OC(C)C)[C@H](C[NH3+])C1 ZINC000420315720 389982650 /nfs/dbraw/zinc/98/26/50/389982650.db2.gz XHJOEUKLVKAXNT-RYUDHWBXSA-N 2 2 258.362 0.766 20 0 CCADLP CO[C@H]1CC[N@@H+](CCC(=O)OC(C)C)[C@H](C[NH3+])C1 ZINC000420315720 389982652 /nfs/dbraw/zinc/98/26/52/389982652.db2.gz XHJOEUKLVKAXNT-RYUDHWBXSA-N 2 2 258.362 0.766 20 0 CCADLP CCCCCNC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420324394 389983206 /nfs/dbraw/zinc/98/32/06/389983206.db2.gz ZPWLTRPMDBZDBQ-CHWSQXEVSA-N 2 2 253.390 0.834 20 0 CCADLP CCCCCNC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420324394 389983209 /nfs/dbraw/zinc/98/32/09/389983209.db2.gz ZPWLTRPMDBZDBQ-CHWSQXEVSA-N 2 2 253.390 0.834 20 0 CCADLP Cc1cccc(OCCNC(=O)C[N@@H+](C)C2CC([NH3+])C2)c1 ZINC000420329987 389984293 /nfs/dbraw/zinc/98/42/93/389984293.db2.gz KRFSAFPBRSJUGV-UHFFFAOYSA-N 2 2 291.395 0.912 20 0 CCADLP Cc1cccc(OCCNC(=O)C[N@H+](C)C2CC([NH3+])C2)c1 ZINC000420329987 389984296 /nfs/dbraw/zinc/98/42/96/389984296.db2.gz KRFSAFPBRSJUGV-UHFFFAOYSA-N 2 2 291.395 0.912 20 0 CCADLP CCCCCNC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000420337188 389985899 /nfs/dbraw/zinc/98/58/99/389985899.db2.gz MXBTXIHMVBKQGU-CHWSQXEVSA-N 2 2 253.390 0.977 20 0 CCADLP CCCCCNC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000420337188 389985900 /nfs/dbraw/zinc/98/59/00/389985900.db2.gz MXBTXIHMVBKQGU-CHWSQXEVSA-N 2 2 253.390 0.977 20 0 CCADLP C[N@@H+](CC(=O)N[C@H]1CCCc2ccccc21)C[C@H](O)C[NH3+] ZINC000420348932 389987705 /nfs/dbraw/zinc/98/77/05/389987705.db2.gz BFDFPGRZHLLAQN-HIFRSBDPSA-N 2 2 291.395 0.432 20 0 CCADLP C[N@H+](CC(=O)N[C@H]1CCCc2ccccc21)C[C@H](O)C[NH3+] ZINC000420348932 389987707 /nfs/dbraw/zinc/98/77/07/389987707.db2.gz BFDFPGRZHLLAQN-HIFRSBDPSA-N 2 2 291.395 0.432 20 0 CCADLP CC(C)N(C(=O)[C@@H](C)[N@H+](C)C[C@@H](O)C[NH3+])C(C)C ZINC000420351191 389989179 /nfs/dbraw/zinc/98/91/79/389989179.db2.gz JIPOFCOVRNVKIX-NEPJUHHUSA-N 2 2 259.394 0.272 20 0 CCADLP CC(C)N(C(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])C(C)C ZINC000420351191 389989182 /nfs/dbraw/zinc/98/91/82/389989182.db2.gz JIPOFCOVRNVKIX-NEPJUHHUSA-N 2 2 259.394 0.272 20 0 CCADLP Cc1ccc(CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000420354576 389990086 /nfs/dbraw/zinc/99/00/86/389990086.db2.gz OTSVNHOIHZCGMB-OCCSQVGLSA-N 2 2 279.384 0.251 20 0 CCADLP Cc1ccc(CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000420354576 389990087 /nfs/dbraw/zinc/99/00/87/389990087.db2.gz OTSVNHOIHZCGMB-OCCSQVGLSA-N 2 2 279.384 0.251 20 0 CCADLP C[N@H+](C[C@H](O)C[NH3+])[C@@H]1CCCN(c2ccccc2)C1=O ZINC000420361065 389991972 /nfs/dbraw/zinc/99/19/72/389991972.db2.gz XTOKKYSZOAGBEY-ZIAGYGMSSA-N 2 2 277.368 0.433 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH3+])[C@@H]1CCCN(c2ccccc2)C1=O ZINC000420361065 389991973 /nfs/dbraw/zinc/99/19/73/389991973.db2.gz XTOKKYSZOAGBEY-ZIAGYGMSSA-N 2 2 277.368 0.433 20 0 CCADLP COC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420365896 389992739 /nfs/dbraw/zinc/99/27/39/389992739.db2.gz SXWRIXAAMWHBJJ-KKUMJFAQSA-N 2 2 292.379 0.555 20 0 CCADLP COC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420365896 389992742 /nfs/dbraw/zinc/99/27/42/389992742.db2.gz SXWRIXAAMWHBJJ-KKUMJFAQSA-N 2 2 292.379 0.555 20 0 CCADLP CCCCNC(=O)NC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420371834 389993819 /nfs/dbraw/zinc/99/38/19/389993819.db2.gz PTVPQRKZVMGENV-NQBHXWOUSA-N 2 2 284.404 0.588 20 0 CCADLP CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420397271 389996830 /nfs/dbraw/zinc/99/68/30/389996830.db2.gz XAILBDJTMSQDSM-CABCVRRESA-N 2 2 291.395 0.866 20 0 CCADLP CN(C)C(=O)[C@H](c1ccccc1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420397271 389996831 /nfs/dbraw/zinc/99/68/31/389996831.db2.gz XAILBDJTMSQDSM-CABCVRRESA-N 2 2 291.395 0.866 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NCc2cccnc2)C[C@@H]1C[NH3+] ZINC000420414650 389998992 /nfs/dbraw/zinc/99/89/92/389998992.db2.gz UOWDJVPRUWISCR-JSGCOSHPSA-N 2 2 276.384 0.615 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)NCc2cccnc2)C[C@@H]1C[NH3+] ZINC000420414650 389998994 /nfs/dbraw/zinc/99/89/94/389998994.db2.gz UOWDJVPRUWISCR-JSGCOSHPSA-N 2 2 276.384 0.615 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000453395865 390009721 /nfs/dbraw/zinc/00/97/21/390009721.db2.gz HXWJSVQNVKOKLD-SCDSUCTJSA-N 2 2 251.374 0.727 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000453395865 390009723 /nfs/dbraw/zinc/00/97/23/390009723.db2.gz HXWJSVQNVKOKLD-SCDSUCTJSA-N 2 2 251.374 0.727 20 0 CCADLP O=C(C[NH+]1CCCC1)N1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000459338407 390073055 /nfs/dbraw/zinc/07/30/55/390073055.db2.gz MMUDORIMHHPEBR-UHFFFAOYSA-N 2 2 291.399 0.192 20 0 CCADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+](C)CCN2C)[C@H]1SC ZINC000459423099 390074269 /nfs/dbraw/zinc/07/42/69/390074269.db2.gz YTVWKPIZZRDSQP-IGQOVBAYSA-N 2 2 287.473 0.731 20 0 CCADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](C)CCN2C)[C@H]1SC ZINC000459423099 390074270 /nfs/dbraw/zinc/07/42/70/390074270.db2.gz YTVWKPIZZRDSQP-IGQOVBAYSA-N 2 2 287.473 0.731 20 0 CCADLP C[NH+](C)CCOCCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000471633724 390077456 /nfs/dbraw/zinc/07/74/56/390077456.db2.gz HAQJRJRXVMVSFV-LBPRGKRZSA-N 2 2 295.387 0.075 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000486925269 390082753 /nfs/dbraw/zinc/08/27/53/390082753.db2.gz LYPBKCAMNDUUDM-MGPQQGTHSA-N 2 2 288.395 0.974 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000486925269 390082754 /nfs/dbraw/zinc/08/27/54/390082754.db2.gz LYPBKCAMNDUUDM-MGPQQGTHSA-N 2 2 288.395 0.974 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H]1CCSC1 ZINC000487285677 390085344 /nfs/dbraw/zinc/08/53/44/390085344.db2.gz CBEVEIIEHYVBGL-NEPJUHHUSA-N 2 2 271.430 0.669 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H]1CCSC1 ZINC000487285677 390085345 /nfs/dbraw/zinc/08/53/45/390085345.db2.gz CBEVEIIEHYVBGL-NEPJUHHUSA-N 2 2 271.430 0.669 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C/C=C/c1ccncc1 ZINC000487304658 390085487 /nfs/dbraw/zinc/08/54/87/390085487.db2.gz DMZHDUVFTIVJCY-NHZBNJEXSA-N 2 2 260.385 0.930 20 0 CCADLP CC[C@@H](CNc1nc(C)[nH+]c(N(C)C)n1)[NH+]1CCCC1 ZINC000488367793 390093342 /nfs/dbraw/zinc/09/33/42/390093342.db2.gz NKXLTQOCAUTCIV-LBPRGKRZSA-N 2 2 278.404 0.954 20 0 CCADLP Cc1nc(NCC[N@@H+](C)C(C)C)nc(N(C)C)[nH+]1 ZINC000488415733 390093657 /nfs/dbraw/zinc/09/36/57/390093657.db2.gz HESHAYCVNPBFAL-UHFFFAOYSA-N 2 2 252.366 0.420 20 0 CCADLP Cc1nc(NCC[N@H+](C)C(C)C)nc(N(C)C)[nH+]1 ZINC000488415733 390093658 /nfs/dbraw/zinc/09/36/58/390093658.db2.gz HESHAYCVNPBFAL-UHFFFAOYSA-N 2 2 252.366 0.420 20 0 CCADLP Cc1nc(N(C)C)nc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)[nH+]1 ZINC000490131774 390104732 /nfs/dbraw/zinc/10/47/32/390104732.db2.gz CCOBXCATTATYQU-VXGBXAGGSA-N 2 2 278.404 0.953 20 0 CCADLP Cc1nc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)nc(N(C)C)[nH+]1 ZINC000490131774 390104733 /nfs/dbraw/zinc/10/47/33/390104733.db2.gz CCOBXCATTATYQU-VXGBXAGGSA-N 2 2 278.404 0.953 20 0 CCADLP O=C(C[N@H+](C1CC1)C1CC[NH2+]CC1)N1CCOCC1 ZINC000647814518 390179277 /nfs/dbraw/zinc/17/92/77/390179277.db2.gz ROAYTVYQFFUOMW-UHFFFAOYSA-N 2 2 267.373 0.062 20 0 CCADLP O=C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)N1CCOCC1 ZINC000647814518 390179281 /nfs/dbraw/zinc/17/92/81/390179281.db2.gz ROAYTVYQFFUOMW-UHFFFAOYSA-N 2 2 267.373 0.062 20 0 CCADLP C[C@H]1C[N@H+](CCN(C2CC2)C2CC[NH2+]CC2)CCO1 ZINC000647815471 390180532 /nfs/dbraw/zinc/18/05/32/390180532.db2.gz IXXPLKUFJANRJW-ZDUSSCGKSA-N 2 2 267.417 0.924 20 0 CCADLP C[C@H]1C[N@@H+](CCN(C2CC2)C2CC[NH2+]CC2)CCO1 ZINC000647815471 390180536 /nfs/dbraw/zinc/18/05/36/390180536.db2.gz IXXPLKUFJANRJW-ZDUSSCGKSA-N 2 2 267.417 0.924 20 0 CCADLP C[NH+](C)C/C=C\C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000493403168 390124894 /nfs/dbraw/zinc/12/48/94/390124894.db2.gz PQDWNWRAIVKVPQ-ARJAWSKDSA-N 2 2 267.373 0.085 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000534410088 390128782 /nfs/dbraw/zinc/12/87/82/390128782.db2.gz JVBIFODIZQJYNV-NWDGAFQWSA-N 2 2 262.357 0.688 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000534410088 390128784 /nfs/dbraw/zinc/12/87/84/390128784.db2.gz JVBIFODIZQJYNV-NWDGAFQWSA-N 2 2 262.357 0.688 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000493866189 390130505 /nfs/dbraw/zinc/13/05/05/390130505.db2.gz BBNKMNUXODZDSU-UFFNRZRYSA-N 2 2 264.329 0.102 20 0 CCADLP COc1cc([C@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)c(F)cn1 ZINC000578978950 390130743 /nfs/dbraw/zinc/13/07/43/390130743.db2.gz PRQHMJBHSFNRQF-JTQLQIEISA-N 2 2 296.346 0.312 20 0 CCADLP COc1c(N)[nH+]cnc1N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000579004116 390134243 /nfs/dbraw/zinc/13/42/43/390134243.db2.gz DZZJNZZFKAOLEO-VHSXEESVSA-N 2 2 263.345 0.598 20 0 CCADLP COc1c(N)[nH+]cnc1N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000579004116 390134246 /nfs/dbraw/zinc/13/42/46/390134246.db2.gz DZZJNZZFKAOLEO-VHSXEESVSA-N 2 2 263.345 0.598 20 0 CCADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCn3cc[nH+]c3)C2)CC1 ZINC000535034953 390136232 /nfs/dbraw/zinc/13/62/32/390136232.db2.gz KTZRWEPBIVVLHP-MRXNPFEDSA-N 3 2 291.443 0.983 20 0 CCADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCn3cc[nH+]c3)C2)CC1 ZINC000535034953 390136237 /nfs/dbraw/zinc/13/62/37/390136237.db2.gz KTZRWEPBIVVLHP-MRXNPFEDSA-N 3 2 291.443 0.983 20 0 CCADLP CO[C@H](C[NH3+])C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000579116468 390142377 /nfs/dbraw/zinc/14/23/77/390142377.db2.gz WPLVPRHZVGLJKK-MRVPVSSYSA-N 2 2 270.358 0.043 20 0 CCADLP CO[C@H](C[NH3+])C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000579116468 390142380 /nfs/dbraw/zinc/14/23/80/390142380.db2.gz WPLVPRHZVGLJKK-MRVPVSSYSA-N 2 2 270.358 0.043 20 0 CCADLP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000579211203 390151203 /nfs/dbraw/zinc/15/12/03/390151203.db2.gz XCBOXCZPQBQIRT-CHWSQXEVSA-N 3 2 285.436 0.001 20 0 CCADLP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000579211203 390151207 /nfs/dbraw/zinc/15/12/07/390151207.db2.gz XCBOXCZPQBQIRT-CHWSQXEVSA-N 3 2 285.436 0.001 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC2(C1)CCOCC2 ZINC000579251735 390157930 /nfs/dbraw/zinc/15/79/30/390157930.db2.gz HQYQYKOIKIWAHV-ZDUSSCGKSA-N 2 2 272.389 0.038 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC2(C1)CCOCC2 ZINC000579251735 390157933 /nfs/dbraw/zinc/15/79/33/390157933.db2.gz HQYQYKOIKIWAHV-ZDUSSCGKSA-N 2 2 272.389 0.038 20 0 CCADLP CCCCOCCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000579332258 390162400 /nfs/dbraw/zinc/16/24/00/390162400.db2.gz VWOGRSSEBBGJFA-LBPRGKRZSA-N 2 2 272.393 0.087 20 0 CCADLP CCCCOCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000579332258 390162404 /nfs/dbraw/zinc/16/24/04/390162404.db2.gz VWOGRSSEBBGJFA-LBPRGKRZSA-N 2 2 272.393 0.087 20 0 CCADLP C[C@H](O)C[C@H](C)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000579473470 390176935 /nfs/dbraw/zinc/17/69/35/390176935.db2.gz WMOOWKFTSGKZBD-QSLWVIQJSA-N 2 2 274.405 0.206 20 0 CCADLP C[C@H](O)C[C@H](C)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000579473470 390176937 /nfs/dbraw/zinc/17/69/37/390176937.db2.gz WMOOWKFTSGKZBD-QSLWVIQJSA-N 2 2 274.405 0.206 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)C1CCC(OC)CC1 ZINC000579608319 390190946 /nfs/dbraw/zinc/19/09/46/390190946.db2.gz PQWXZWGHDVKOJC-SHARSMKWSA-N 2 2 288.432 0.815 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)C1CCC(OC)CC1 ZINC000579608319 390190950 /nfs/dbraw/zinc/19/09/50/390190950.db2.gz PQWXZWGHDVKOJC-SHARSMKWSA-N 2 2 288.432 0.815 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)C1CCC(OC)CC1 ZINC000579608319 390190951 /nfs/dbraw/zinc/19/09/51/390190951.db2.gz PQWXZWGHDVKOJC-SHARSMKWSA-N 2 2 288.432 0.815 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)C1CCC(OC)CC1 ZINC000579608319 390190956 /nfs/dbraw/zinc/19/09/56/390190956.db2.gz PQWXZWGHDVKOJC-SHARSMKWSA-N 2 2 288.432 0.815 20 0 CCADLP C[C@H]1CN(C(=O)C[N@H+](C2CC2)C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000647814603 390179060 /nfs/dbraw/zinc/17/90/60/390179060.db2.gz VPQPIPSKNFFCFN-STQMWFEESA-N 2 2 295.427 0.839 20 0 CCADLP C[C@H]1CN(C(=O)C[N@@H+](C2CC2)C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000647814603 390179063 /nfs/dbraw/zinc/17/90/63/390179063.db2.gz VPQPIPSKNFFCFN-STQMWFEESA-N 2 2 295.427 0.839 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(c2nc[nH+]c3c2OCCN3)[C@H](C)C1 ZINC000647877966 390204480 /nfs/dbraw/zinc/20/44/80/390204480.db2.gz KJIRXUHXUDOESU-MNOVXSKESA-N 2 2 293.371 0.172 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(c2nc[nH+]c3c2OCCN3)[C@H](C)C1 ZINC000647877966 390204482 /nfs/dbraw/zinc/20/44/82/390204482.db2.gz KJIRXUHXUDOESU-MNOVXSKESA-N 2 2 293.371 0.172 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)C[C@@H](C(F)(F)F)O1 ZINC000647889367 390209086 /nfs/dbraw/zinc/20/90/86/390209086.db2.gz KYLXAIKSGORJJC-MNOVXSKESA-N 2 2 281.322 0.543 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)C[C@@H](C(F)(F)F)O1 ZINC000647889367 390209092 /nfs/dbraw/zinc/20/90/92/390209092.db2.gz KYLXAIKSGORJJC-MNOVXSKESA-N 2 2 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Cc1nc(N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)cc[nH+]1 ZINC000645361205 390415028 /nfs/dbraw/zinc/41/50/28/390415028.db2.gz RIGOFYWWRFJZQX-JTQLQIEISA-N 2 2 263.345 0.341 20 0 CCADLP COc1ccc(F)cc1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000643327879 390432075 /nfs/dbraw/zinc/43/20/75/390432075.db2.gz ZQRQJUSCISTZCJ-UHFFFAOYSA-N 2 2 295.358 0.698 20 0 CCADLP COC1CC([NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C1 ZINC000547423952 390373170 /nfs/dbraw/zinc/37/31/70/390373170.db2.gz AHQRAOHUCFDHSA-BPCQOVAHSA-N 2 2 292.383 0.678 20 0 CCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)Cc1c[nH+]cn1C ZINC000547539944 390382285 /nfs/dbraw/zinc/38/22/85/390382285.db2.gz UUUSFTHZFGJPLE-GFCCVEGCSA-N 2 2 264.373 0.953 20 0 CCADLP C[C@@H](Nc1nc(N)[nH+]c2c1CCCC2)[C@H]1C[N@H+](C)CCO1 ZINC000645193898 390386525 /nfs/dbraw/zinc/38/65/25/390386525.db2.gz JCXSGRSPUKXWQA-ZWNOBZJWSA-N 2 2 291.399 0.321 20 0 CCADLP C[C@@H](Nc1nc(N)[nH+]c2c1CCCC2)[C@H]1C[N@@H+](C)CCO1 ZINC000645193898 390386527 /nfs/dbraw/zinc/38/65/27/390386527.db2.gz JCXSGRSPUKXWQA-ZWNOBZJWSA-N 2 2 291.399 0.321 20 0 CCADLP CCOC(=O)N1CC[C@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000496948776 390390752 /nfs/dbraw/zinc/39/07/52/390390752.db2.gz XHFCTVLOWPTRAF-BFHYXJOUSA-N 2 2 297.399 0.574 20 0 CCADLP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000645236772 390393654 /nfs/dbraw/zinc/39/36/54/390393654.db2.gz SIDSOZHHXRJESS-CQSZACIVSA-N 2 2 288.395 0.724 20 0 CCADLP COC(=O)[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000547727277 390394398 /nfs/dbraw/zinc/39/43/98/390394398.db2.gz XOCLOIBWXCOMKZ-MFKMUULPSA-N 2 2 263.341 0.987 20 0 CCADLP Cn1c[nH+]c(CCNc2nc(N)[nH+]c3c2CCCC3)c1 ZINC000645256206 390397954 /nfs/dbraw/zinc/39/79/54/390397954.db2.gz SJWTVVPUEQCRLR-UHFFFAOYSA-N 2 2 272.356 0.578 20 0 CCADLP C[C@@H](C1CC1)N(C(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1)C1CC1 ZINC000518502082 390492528 /nfs/dbraw/zinc/49/25/28/390492528.db2.gz KFYBWCCKDKBHHZ-WFASDCNBSA-N 2 2 295.427 0.826 20 0 CCADLP C[C@@H](C1CC1)N(C(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1)C1CC1 ZINC000518502082 390492534 /nfs/dbraw/zinc/49/25/34/390492534.db2.gz KFYBWCCKDKBHHZ-WFASDCNBSA-N 2 2 295.427 0.826 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@H]2CSC2(C)C)[C@@H](C[NH3+])C1 ZINC000518940407 390495215 /nfs/dbraw/zinc/49/52/15/390495215.db2.gz JUALUNBDAKBLFX-UWVGGRQHSA-N 2 2 272.418 0.165 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@H]2CSC2(C)C)[C@@H](C[NH3+])C1 ZINC000518940407 390495220 /nfs/dbraw/zinc/49/52/20/390495220.db2.gz JUALUNBDAKBLFX-UWVGGRQHSA-N 2 2 272.418 0.165 20 0 CCADLP OC[C@H]1CC[C@@H]([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000643470979 390450645 /nfs/dbraw/zinc/45/06/45/390450645.db2.gz DGYGNXDEUSBGLY-ATGSNQNLSA-N 2 2 268.401 0.894 20 0 CCADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000643472145 390451767 /nfs/dbraw/zinc/45/17/67/390451767.db2.gz ZTVUOKJYLFHUPJ-SOUVJXGZSA-N 3 2 269.433 0.811 20 0 CCADLP C[C@H](NC(=O)NCC[N@@H+]1CCOC[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000565470359 390515850 /nfs/dbraw/zinc/51/58/50/390515850.db2.gz NFYDFYRHNCUWSO-HZSPNIEDSA-N 2 2 298.431 0.394 20 0 CCADLP C[C@H](NC(=O)NCC[N@H+]1CCOC[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000565470359 390515854 /nfs/dbraw/zinc/51/58/54/390515854.db2.gz NFYDFYRHNCUWSO-HZSPNIEDSA-N 2 2 298.431 0.394 20 0 CCADLP CO[C@@H]1C[C@@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C12CCC2 ZINC000515523290 390476288 /nfs/dbraw/zinc/47/62/88/390476288.db2.gz XSQIJXHQSLQKKR-YNEHKIRRSA-N 2 2 296.415 0.228 20 0 CCADLP CO[C@@H]1C[C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C12CCC2 ZINC000515523290 390476293 /nfs/dbraw/zinc/47/62/93/390476293.db2.gz XSQIJXHQSLQKKR-YNEHKIRRSA-N 2 2 296.415 0.228 20 0 CCADLP C[C@H]1CCN(C(=O)N[C@H]2CC[NH2+]C2)C[C@H]1n1cc[nH+]c1 ZINC000516195499 390480182 /nfs/dbraw/zinc/48/01/82/390480182.db2.gz ZIWOWDVMCHZFTE-RWMBFGLXSA-N 2 2 277.372 0.838 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)COC1CCC([NH3+])CC1 ZINC000520574156 390581737 /nfs/dbraw/zinc/58/17/37/390581737.db2.gz QBILBSHUHOEBAI-IYXRBSQSSA-N 2 2 299.415 0.110 20 0 CCADLP Cc1[nH+]c2n(c1C)CCN(C(=O)[C@H]1CC[NH2+][C@H]1C)C2 ZINC000646043851 390582026 /nfs/dbraw/zinc/58/20/26/390582026.db2.gz LCZGALGCJDESSG-JQWIXIFHSA-N 2 2 262.357 0.840 20 0 CCADLP Cc1cccn2cc(CNC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)[nH+]c12 ZINC000649330008 390587293 /nfs/dbraw/zinc/58/72/93/390587293.db2.gz PJHWMWUCDTWLLY-ITGUQSILSA-N 2 2 270.336 0.724 20 0 CCADLP [NH3+]C1(C(=O)NCCc2[nH]cc[nH+]2)Cc2ccccc2C1 ZINC000649332928 390588964 /nfs/dbraw/zinc/58/89/64/390588964.db2.gz XKYNVVFPZVNRGW-UHFFFAOYSA-N 2 2 270.336 0.565 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH2+]Cc1ccn2cc[nH+]c2c1 ZINC000565535493 390522492 /nfs/dbraw/zinc/52/24/92/390522492.db2.gz IBTOZVMNOVNDGA-GXTWGEPZSA-N 2 2 293.367 0.836 20 0 CCADLP [NH3+]Cc1nc(-c2nc(C3([NH3+])CCC3)no2)cs1 ZINC000519652354 390524712 /nfs/dbraw/zinc/52/47/12/390524712.db2.gz LTIKWCBDGNPPDP-UHFFFAOYSA-N 2 2 251.315 0.990 20 0 CCADLP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000565589076 390526022 /nfs/dbraw/zinc/52/60/22/390526022.db2.gz YMZQVYTUFPGZHG-HZSPNIEDSA-N 3 2 297.447 0.144 20 0 CCADLP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000565589076 390526026 /nfs/dbraw/zinc/52/60/26/390526026.db2.gz YMZQVYTUFPGZHG-HZSPNIEDSA-N 3 2 297.447 0.144 20 0 CCADLP CCc1cc(N2CC[NH+](CC(=O)N(C)C)CC2)cc[nH+]1 ZINC000649225932 390531082 /nfs/dbraw/zinc/53/10/82/390531082.db2.gz AXTAJKIRIVFBQW-UHFFFAOYSA-N 2 2 276.384 0.854 20 0 CCADLP CC1(C)C[NH2+]CCN1C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000649273565 390543298 /nfs/dbraw/zinc/54/32/98/390543298.db2.gz TZTBBHQRGLCHSW-UHFFFAOYSA-N 2 2 286.339 0.486 20 0 CCADLP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000649279102 390547421 /nfs/dbraw/zinc/54/74/21/390547421.db2.gz WCTMSFBPYCLJLZ-RQJABVFESA-N 2 2 279.384 0.060 20 0 CCADLP [NH3+][C@@H](C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)c1cscn1 ZINC000519820326 390547721 /nfs/dbraw/zinc/54/77/21/390547721.db2.gz GBGQUKPOSPUXIM-YPMHNXCESA-N 2 2 280.397 0.745 20 0 CCADLP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000649302360 390561133 /nfs/dbraw/zinc/56/11/33/390561133.db2.gz IGWCPTQCJLFGLL-WYUUTHIRSA-N 2 2 260.341 0.581 20 0 CCADLP CC[C@H](O)[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000520248131 390562434 /nfs/dbraw/zinc/56/24/34/390562434.db2.gz QAPICDZZWTYCJU-ILXRZTDVSA-N 2 2 288.432 0.551 20 0 CCADLP CC[C@H](O)[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000520248131 390562437 /nfs/dbraw/zinc/56/24/37/390562437.db2.gz QAPICDZZWTYCJU-ILXRZTDVSA-N 2 2 288.432 0.551 20 0 CCADLP CC[C@H](O)[C@@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)CCOC ZINC000520248131 390562441 /nfs/dbraw/zinc/56/24/41/390562441.db2.gz QAPICDZZWTYCJU-ILXRZTDVSA-N 2 2 288.432 0.551 20 0 CCADLP CC[C@H](O)[C@@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)CCOC ZINC000520248131 390562444 /nfs/dbraw/zinc/56/24/44/390562444.db2.gz QAPICDZZWTYCJU-ILXRZTDVSA-N 2 2 288.432 0.551 20 0 CCADLP CN(C)C(=O)C[C@@]1(O)CCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000643812797 390566575 /nfs/dbraw/zinc/56/65/75/390566575.db2.gz UGQQFGFRSWTASS-HNNXBMFYSA-N 2 2 294.399 0.268 20 0 CCADLP CN(C)C(=O)C[C@@]1(O)CCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000643812797 390566577 /nfs/dbraw/zinc/56/65/77/390566577.db2.gz UGQQFGFRSWTASS-HNNXBMFYSA-N 2 2 294.399 0.268 20 0 CCADLP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000649312068 390570542 /nfs/dbraw/zinc/57/05/42/390570542.db2.gz LFEIGBRGGCXOFO-GDNZZTSVSA-N 2 2 260.341 0.581 20 0 CCADLP CC[N@H+](C)C[C@@H](O)CN1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000566047484 390571221 /nfs/dbraw/zinc/57/12/21/390571221.db2.gz KHEGJJHUXSLPGJ-CQSZACIVSA-N 2 2 293.415 0.220 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)CN1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000566047484 390571225 /nfs/dbraw/zinc/57/12/25/390571225.db2.gz KHEGJJHUXSLPGJ-CQSZACIVSA-N 2 2 293.415 0.220 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)C[C@H]1C ZINC000646024834 390574685 /nfs/dbraw/zinc/57/46/85/390574685.db2.gz RPXCRBLXPLWCRR-NEPJUHHUSA-N 2 2 269.389 0.164 20 0 CCADLP COCC[N@H+]1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)C[C@H]1C ZINC000646024834 390574688 /nfs/dbraw/zinc/57/46/88/390574688.db2.gz RPXCRBLXPLWCRR-NEPJUHHUSA-N 2 2 269.389 0.164 20 0 CCADLP CCOC(=O)C[N@@H+]1CCCN(C(=O)CC[NH2+]C2CC2)CC1 ZINC000566470479 390617902 /nfs/dbraw/zinc/61/79/02/390617902.db2.gz JXQPIGKNVBAFOL-UHFFFAOYSA-N 2 2 297.399 0.226 20 0 CCADLP CCOC(=O)C[N@H+]1CCCN(C(=O)CC[NH2+]C2CC2)CC1 ZINC000566470479 390617907 /nfs/dbraw/zinc/61/79/07/390617907.db2.gz JXQPIGKNVBAFOL-UHFFFAOYSA-N 2 2 297.399 0.226 20 0 CCADLP Cn1c2ccccc2[nH+]c1N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000566489347 390621404 /nfs/dbraw/zinc/62/14/04/390621404.db2.gz KPXWAHPVXKPYIK-QWRGUYRKSA-N 2 2 285.351 0.322 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@H](C)CN2CCCC2=O)n1C ZINC000566631847 390635855 /nfs/dbraw/zinc/63/58/55/390635855.db2.gz ZFPGHWZETAKKMO-SNVBAGLBSA-N 2 2 250.346 0.829 20 0 CCADLP COC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000262166468 285383350 /nfs/dbraw/zinc/38/33/50/285383350.db2.gz AISMGUSJXJBMHX-RQJABVFESA-N 2 2 299.415 0.060 20 0 CCADLP COC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000262166468 285383351 /nfs/dbraw/zinc/38/33/51/285383351.db2.gz AISMGUSJXJBMHX-RQJABVFESA-N 2 2 299.415 0.060 20 0 CCADLP CCCNC(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102684 390598299 /nfs/dbraw/zinc/59/82/99/390598299.db2.gz NWQZLLIMSQTKAR-UHFFFAOYSA-N 2 2 269.389 0.309 20 0 CCADLP CCCNC(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102684 390598302 /nfs/dbraw/zinc/59/83/02/390598302.db2.gz NWQZLLIMSQTKAR-UHFFFAOYSA-N 2 2 269.389 0.309 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000566413775 390599190 /nfs/dbraw/zinc/59/91/90/390599190.db2.gz JAXAGCSAMZBVKV-ZIAGYGMSSA-N 3 2 257.422 0.573 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000566413775 390599194 /nfs/dbraw/zinc/59/91/94/390599194.db2.gz JAXAGCSAMZBVKV-ZIAGYGMSSA-N 3 2 257.422 0.573 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000566413775 390599196 /nfs/dbraw/zinc/59/91/96/390599196.db2.gz JAXAGCSAMZBVKV-ZIAGYGMSSA-N 3 2 257.422 0.573 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000566413775 390599199 /nfs/dbraw/zinc/59/91/99/390599199.db2.gz JAXAGCSAMZBVKV-ZIAGYGMSSA-N 3 2 257.422 0.573 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@@]2(C)CCCO2)C[C@H](C)O1 ZINC000521227318 390599475 /nfs/dbraw/zinc/59/94/75/390599475.db2.gz CZLZCPBPJOVSEY-LXTVHRRPSA-N 2 2 286.416 0.615 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@@]2(C)CCCO2)C[C@H](C)O1 ZINC000521227318 390599479 /nfs/dbraw/zinc/59/94/79/390599479.db2.gz CZLZCPBPJOVSEY-LXTVHRRPSA-N 2 2 286.416 0.615 20 0 CCADLP C[NH2+][C@@H](C)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000566923932 390659804 /nfs/dbraw/zinc/65/98/04/390659804.db2.gz KUFGOEWKDJRGKM-NSHDSACASA-N 2 2 278.356 0.142 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000566426586 390603950 /nfs/dbraw/zinc/60/39/50/390603950.db2.gz VAADTHDWKZPFPO-QLFBSQMISA-N 2 2 267.417 0.876 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000566426586 390603951 /nfs/dbraw/zinc/60/39/51/390603951.db2.gz VAADTHDWKZPFPO-QLFBSQMISA-N 2 2 267.417 0.876 20 0 CCADLP C[C@H](CN1CCOCC1)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000566426586 390603953 /nfs/dbraw/zinc/60/39/53/390603953.db2.gz VAADTHDWKZPFPO-QLFBSQMISA-N 2 2 267.417 0.876 20 0 CCADLP C[C@H](CN1CCOCC1)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000566426586 390603955 /nfs/dbraw/zinc/60/39/55/390603955.db2.gz VAADTHDWKZPFPO-QLFBSQMISA-N 2 2 267.417 0.876 20 0 CCADLP C[C@H](CN1CCOCC1)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000566426586 390603957 /nfs/dbraw/zinc/60/39/57/390603957.db2.gz VAADTHDWKZPFPO-QLFBSQMISA-N 2 2 267.417 0.876 20 0 CCADLP C[C@H](CN1CCOCC1)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000566426586 390603958 /nfs/dbraw/zinc/60/39/58/390603958.db2.gz VAADTHDWKZPFPO-QLFBSQMISA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H](C)[N@H+]1C ZINC000567615944 390706948 /nfs/dbraw/zinc/70/69/48/390706948.db2.gz NNJGABLEGGRYHD-XQQFMLRXSA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H](C)[N@@H+]1C ZINC000567615944 390706949 /nfs/dbraw/zinc/70/69/49/390706949.db2.gz NNJGABLEGGRYHD-XQQFMLRXSA-N 2 2 276.384 0.997 20 0 CCADLP [NH3+]C[C@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000646670099 390707038 /nfs/dbraw/zinc/70/70/38/390707038.db2.gz CBUJPYBGCQIDNY-OCCSQVGLSA-N 2 2 281.400 0.437 20 0 CCADLP [NH3+]C[C@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000646670099 390707039 /nfs/dbraw/zinc/70/70/39/390707039.db2.gz CBUJPYBGCQIDNY-OCCSQVGLSA-N 2 2 281.400 0.437 20 0 CCADLP C[NH2+]CCNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000646679661 390707883 /nfs/dbraw/zinc/70/78/83/390707883.db2.gz UCWCWUTWDSATKY-UHFFFAOYSA-N 2 2 272.352 0.810 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000568194862 390712837 /nfs/dbraw/zinc/71/28/37/390712837.db2.gz VLHQMXJNXCMEDV-QWRGUYRKSA-N 2 2 261.329 0.990 20 0 CCADLP C[N@@H+]1CCN(C(=O)CNc2ccccc2Cl)[C@@H](C[NH3+])C1 ZINC000646831995 390725213 /nfs/dbraw/zinc/72/52/13/390725213.db2.gz UKSOALUZMFEUKG-NSHDSACASA-N 2 2 296.802 0.853 20 0 CCADLP C[N@H+]1CCN(C(=O)CNc2ccccc2Cl)[C@@H](C[NH3+])C1 ZINC000646831995 390725214 /nfs/dbraw/zinc/72/52/14/390725214.db2.gz UKSOALUZMFEUKG-NSHDSACASA-N 2 2 296.802 0.853 20 0 CCADLP C[C@H](CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccncc1 ZINC000646833178 390725653 /nfs/dbraw/zinc/72/56/53/390725653.db2.gz LSHFDEUFEVDDRO-TZMCWYRMSA-N 2 2 276.384 0.677 20 0 CCADLP C[C@H](CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccncc1 ZINC000646833178 390725655 /nfs/dbraw/zinc/72/56/55/390725655.db2.gz LSHFDEUFEVDDRO-TZMCWYRMSA-N 2 2 276.384 0.677 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646340465 390668256 /nfs/dbraw/zinc/66/82/56/390668256.db2.gz GBXNJXCIPZMEKJ-QLFBSQMISA-N 2 2 295.427 0.698 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646340465 390668257 /nfs/dbraw/zinc/66/82/57/390668257.db2.gz GBXNJXCIPZMEKJ-QLFBSQMISA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CCO1 ZINC000567169553 390676929 /nfs/dbraw/zinc/67/69/29/390676929.db2.gz VFFIQLDOHWCBEU-GZBFAFLISA-N 2 2 281.400 0.213 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CCO1 ZINC000567169553 390676932 /nfs/dbraw/zinc/67/69/32/390676932.db2.gz VFFIQLDOHWCBEU-GZBFAFLISA-N 2 2 281.400 0.213 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000646553918 390693040 /nfs/dbraw/zinc/69/30/40/390693040.db2.gz IZTZIEPGTAPXIM-MWLCHTKSSA-N 2 2 254.334 0.587 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCSC[C@H](C(=O)OC)C1 ZINC000567364071 390695114 /nfs/dbraw/zinc/69/51/14/390695114.db2.gz ACUYRERKNWUBHE-NEPJUHHUSA-N 2 2 290.429 0.137 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCSC[C@H](C(=O)OC)C1 ZINC000567364071 390695115 /nfs/dbraw/zinc/69/51/15/390695115.db2.gz ACUYRERKNWUBHE-NEPJUHHUSA-N 2 2 290.429 0.137 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCSC[C@H](C(=O)OC)C1 ZINC000567364071 390695117 /nfs/dbraw/zinc/69/51/17/390695117.db2.gz ACUYRERKNWUBHE-NEPJUHHUSA-N 2 2 290.429 0.137 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCSC[C@H](C(=O)OC)C1 ZINC000567364071 390695118 /nfs/dbraw/zinc/69/51/18/390695118.db2.gz ACUYRERKNWUBHE-NEPJUHHUSA-N 2 2 290.429 0.137 20 0 CCADLP COc1c(N)[nH+]cnc1NCCCC[NH+]1CCOCC1 ZINC000567367200 390695612 /nfs/dbraw/zinc/69/56/12/390695612.db2.gz XVUKPVMVUMILJV-UHFFFAOYSA-N 2 2 281.360 0.014 20 0 CCADLP COc1c(N)nc[nH+]c1NCCCC[NH+]1CCOCC1 ZINC000567367200 390695614 /nfs/dbraw/zinc/69/56/14/390695614.db2.gz XVUKPVMVUMILJV-UHFFFAOYSA-N 2 2 281.360 0.014 20 0 CCADLP Cc1[nH]c(CNCCC[NH+]2CCC(O)CC2)[nH+]c1C ZINC000567408089 390698002 /nfs/dbraw/zinc/69/80/02/390698002.db2.gz VYPCYTXCDGAHHS-UHFFFAOYSA-N 2 2 266.389 0.963 20 0 CCADLP O=C(Cn1cc[nH+]c1)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000567437420 390698367 /nfs/dbraw/zinc/69/83/67/390698367.db2.gz WUXGLCGSJLLKOS-UHFFFAOYSA-N 2 2 268.280 0.524 20 0 CCADLP CC[C@H]1CN(C(=O)C[N@H+](C)CC(=O)NC(C)C)CC[C@@H]1[NH3+] ZINC000647005500 390756423 /nfs/dbraw/zinc/75/64/23/390756423.db2.gz AURISAOYXFANOG-STQMWFEESA-N 2 2 298.431 0.029 20 0 CCADLP CC[C@H]1CN(C(=O)C[N@@H+](C)CC(=O)NC(C)C)CC[C@@H]1[NH3+] ZINC000647005500 390756425 /nfs/dbraw/zinc/75/64/25/390756425.db2.gz AURISAOYXFANOG-STQMWFEESA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529314370 390805407 /nfs/dbraw/zinc/80/54/07/390805407.db2.gz JBKDJCWRMXYSAJ-GFCCVEGCSA-N 2 2 295.387 0.327 20 0 CCADLP CC(=O)NCCC[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528726441 390771665 /nfs/dbraw/zinc/77/16/65/390771665.db2.gz AXCDLAJBQSJNBC-UHFFFAOYSA-N 2 2 283.416 0.699 20 0 CCADLP CN(CC[NH3+])C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000647088786 390773819 /nfs/dbraw/zinc/77/38/19/390773819.db2.gz UYDJNUNPOLOCTP-UHFFFAOYSA-N 2 2 277.368 0.550 20 0 CCADLP COCC[NH2+]C1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000572249475 390774623 /nfs/dbraw/zinc/77/46/23/390774623.db2.gz MMVMRBOJRVAVSE-LLVKDONJSA-N 2 2 269.389 0.354 20 0 CCADLP CCSCC[C@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000572346969 390778969 /nfs/dbraw/zinc/77/89/69/390778969.db2.gz JUQDDQRRJZFPOZ-NWDGAFQWSA-N 2 2 288.461 0.802 20 0 CCADLP CCSCC[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000572346969 390778973 /nfs/dbraw/zinc/77/89/73/390778973.db2.gz JUQDDQRRJZFPOZ-NWDGAFQWSA-N 2 2 288.461 0.802 20 0 CCADLP C[NH+](C)CCC[NH2+]Cc1ccc(S(N)(=O)=O)cc1F ZINC000647167226 390781547 /nfs/dbraw/zinc/78/15/47/390781547.db2.gz YEPFMWBAWPLGOX-UHFFFAOYSA-N 2 2 289.376 0.514 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCC(F)(F)[C@H]1O ZINC000572474062 390784816 /nfs/dbraw/zinc/78/48/16/390784816.db2.gz JPWRMPMAHYTPQM-YFKTTZPYSA-N 2 2 278.343 0.892 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]([C@@H](C)CO)C1CCCC1 ZINC000572852747 390807326 /nfs/dbraw/zinc/80/73/26/390807326.db2.gz LQFGINLHKYTZFR-DZGCQCFKSA-N 2 2 288.432 0.551 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]([C@@H](C)CO)C1CCCC1 ZINC000572852747 390807327 /nfs/dbraw/zinc/80/73/27/390807327.db2.gz LQFGINLHKYTZFR-DZGCQCFKSA-N 2 2 288.432 0.551 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]([C@@H](C)CO)C1CCCC1 ZINC000572852747 390807328 /nfs/dbraw/zinc/80/73/28/390807328.db2.gz LQFGINLHKYTZFR-DZGCQCFKSA-N 2 2 288.432 0.551 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]([C@@H](C)CO)C1CCCC1 ZINC000572852747 390807330 /nfs/dbraw/zinc/80/73/30/390807330.db2.gz LQFGINLHKYTZFR-DZGCQCFKSA-N 2 2 288.432 0.551 20 0 CCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000529290720 390802146 /nfs/dbraw/zinc/80/21/46/390802146.db2.gz KTDPDMHKNHETNV-QWHCGFSZSA-N 2 2 279.388 0.911 20 0 CCADLP C[N@@H+]1C[C@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)[C@@H]2C1 ZINC000646914458 390738968 /nfs/dbraw/zinc/73/89/68/390738968.db2.gz YCRXLGCWYMPKCF-GHMZBOCLSA-N 2 2 262.357 0.850 20 0 CCADLP C[N@H+]1C[C@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)[C@@H]2C1 ZINC000646914458 390738970 /nfs/dbraw/zinc/73/89/70/390738970.db2.gz YCRXLGCWYMPKCF-GHMZBOCLSA-N 2 2 262.357 0.850 20 0 CCADLP C[C@H](C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21)[NH+]1CCSCC1 ZINC000646930829 390742938 /nfs/dbraw/zinc/74/29/38/390742938.db2.gz ORRZWUFGUOTZMW-FRRDWIJNSA-N 2 2 283.441 0.586 20 0 CCADLP C[C@H](C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21)[NH+]1CCSCC1 ZINC000646930829 390742940 /nfs/dbraw/zinc/74/29/40/390742940.db2.gz ORRZWUFGUOTZMW-FRRDWIJNSA-N 2 2 283.441 0.586 20 0 CCADLP CN(C)[C@H](C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21)c1c[nH+]cn1C ZINC000646937365 390744461 /nfs/dbraw/zinc/74/44/61/390744461.db2.gz KJZKQYYZDZJVON-YUTCNCBUSA-N 2 2 291.399 0.185 20 0 CCADLP CN(C)[C@H](C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21)c1c[nH+]cn1C ZINC000646937365 390744463 /nfs/dbraw/zinc/74/44/63/390744463.db2.gz KJZKQYYZDZJVON-YUTCNCBUSA-N 2 2 291.399 0.185 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](CO)c1cccc(F)c1 ZINC000578244693 390872929 /nfs/dbraw/zinc/87/29/29/390872929.db2.gz CKJGQCHWWKHNSU-ZIAGYGMSSA-N 2 2 270.348 0.761 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](CO)c1cccc(F)c1 ZINC000578244693 390872931 /nfs/dbraw/zinc/87/29/31/390872931.db2.gz CKJGQCHWWKHNSU-ZIAGYGMSSA-N 2 2 270.348 0.761 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000578319656 390876689 /nfs/dbraw/zinc/87/66/89/390876689.db2.gz DZIHJQKKUGBQJX-ZDUSSCGKSA-N 2 2 264.373 0.953 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000578319656 390876690 /nfs/dbraw/zinc/87/66/90/390876690.db2.gz DZIHJQKKUGBQJX-ZDUSSCGKSA-N 2 2 264.373 0.953 20 0 CCADLP Cc1c[nH+]ccc1CC[NH2+]CCC(=O)NC(N)=O ZINC000572870493 390809080 /nfs/dbraw/zinc/80/90/80/390809080.db2.gz RFHUXCUEKNVCHQ-UHFFFAOYSA-N 2 2 250.302 0.107 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CCCN2CCOCC2)n1C ZINC000572901117 390811129 /nfs/dbraw/zinc/81/11/29/390811129.db2.gz YPQCCKFJBMNWBL-UHFFFAOYSA-N 2 2 252.362 0.540 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)[C@H](C[NH3+])C1 ZINC000529347322 390815236 /nfs/dbraw/zinc/81/52/36/390815236.db2.gz FTMUHRYIUOPVHM-YIYPIFLZSA-N 2 2 280.416 0.707 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)[C@H](C[NH3+])C1 ZINC000529347322 390815239 /nfs/dbraw/zinc/81/52/39/390815239.db2.gz FTMUHRYIUOPVHM-YIYPIFLZSA-N 2 2 280.416 0.707 20 0 CCADLP CCOCC(C)(C)CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000572976348 390815661 /nfs/dbraw/zinc/81/56/61/390815661.db2.gz QVFPZCQXLGCOHM-GFCCVEGCSA-N 2 2 286.420 0.333 20 0 CCADLP CCOCC(C)(C)CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000572976348 390815665 /nfs/dbraw/zinc/81/56/65/390815665.db2.gz QVFPZCQXLGCOHM-GFCCVEGCSA-N 2 2 286.420 0.333 20 0 CCADLP O=C(NC[C@@H]1COCC[NH2+]1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000529379344 390824453 /nfs/dbraw/zinc/82/44/53/390824453.db2.gz KJGKRYJMDYHSLU-NEPJUHHUSA-N 2 2 293.371 0.635 20 0 CCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)[C@]12C[C@H]1CC[NH2+]2 ZINC000574918991 390825006 /nfs/dbraw/zinc/82/50/06/390825006.db2.gz GRGHCWSDZDZPJL-ABAIWWIYSA-N 2 2 274.368 0.630 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccsc2)[C@H](C[NH3+])C1 ZINC000529384769 390825903 /nfs/dbraw/zinc/82/59/03/390825903.db2.gz ZYJOICJPAXATHA-FRRDWIJNSA-N 2 2 294.424 0.888 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccsc2)[C@H](C[NH3+])C1 ZINC000529384769 390825905 /nfs/dbraw/zinc/82/59/05/390825905.db2.gz ZYJOICJPAXATHA-FRRDWIJNSA-N 2 2 294.424 0.888 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)[NH2+]C[C@H](O)C(F)(F)F ZINC000647530406 390834588 /nfs/dbraw/zinc/83/45/88/390834588.db2.gz FXCQXADGSJHBFU-ZJUUUORDSA-N 2 2 272.311 0.592 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H](CO)CC(F)F)C[C@H](C)O1 ZINC000647535210 390834901 /nfs/dbraw/zinc/83/49/01/390834901.db2.gz XBHQTCIRLMXADI-WRWGMCAJSA-N 2 2 296.358 0.062 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H](CO)CC(F)F)C[C@H](C)O1 ZINC000647535210 390834904 /nfs/dbraw/zinc/83/49/04/390834904.db2.gz XBHQTCIRLMXADI-WRWGMCAJSA-N 2 2 296.358 0.062 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC(=O)NC)C[C@@H]1C ZINC000408215591 285395476 /nfs/dbraw/zinc/39/54/76/285395476.db2.gz CZXMKHDNXBRHAV-QWRGUYRKSA-N 2 2 270.377 0.247 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC(=O)NC)C[C@@H]1C ZINC000408215591 285395477 /nfs/dbraw/zinc/39/54/77/285395477.db2.gz CZXMKHDNXBRHAV-QWRGUYRKSA-N 2 2 270.377 0.247 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC(=O)NC)C[C@@H]1C ZINC000408215591 285395479 /nfs/dbraw/zinc/39/54/79/285395479.db2.gz CZXMKHDNXBRHAV-QWRGUYRKSA-N 2 2 270.377 0.247 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC(=O)NC)C[C@@H]1C ZINC000408215591 285395480 /nfs/dbraw/zinc/39/54/80/285395480.db2.gz CZXMKHDNXBRHAV-QWRGUYRKSA-N 2 2 270.377 0.247 20 0 CCADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nncn2C)C1 ZINC000534107033 390888174 /nfs/dbraw/zinc/88/81/74/390888174.db2.gz CVZSXSMQKYURRR-ZDUSSCGKSA-N 2 2 281.404 0.748 20 0 CCADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nncn2C)C1 ZINC000534107033 390888175 /nfs/dbraw/zinc/88/81/75/390888175.db2.gz CVZSXSMQKYURRR-ZDUSSCGKSA-N 2 2 281.404 0.748 20 0 CCADLP CCNC(=O)N1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000578638756 390895899 /nfs/dbraw/zinc/89/58/99/390895899.db2.gz FPFJEDIKCRANKI-UHFFFAOYSA-N 2 2 279.388 0.700 20 0 CCADLP C[C@@H]([NH3+])C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000578771070 390901620 /nfs/dbraw/zinc/90/16/20/390901620.db2.gz MZEIMJVKCDSANJ-MRVPVSSYSA-N 2 2 267.295 0.724 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+]CC(C)(C)O)CC1 ZINC000361460110 533381509 /nfs/dbraw/zinc/38/15/09/533381509.db2.gz RHXXXGZFBXZRBQ-UHFFFAOYSA-N 2 2 272.389 0.765 20 0 CCADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)C(C)(C)n1cncn1 ZINC000453271840 533432783 /nfs/dbraw/zinc/43/27/83/533432783.db2.gz UIYIDHHTBYUGPQ-ZIAGYGMSSA-N 2 2 295.431 0.838 20 0 CCADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)C(C)(C)n1cncn1 ZINC000453271840 533432785 /nfs/dbraw/zinc/43/27/85/533432785.db2.gz UIYIDHHTBYUGPQ-ZIAGYGMSSA-N 2 2 295.431 0.838 20 0 CCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC000423779320 533596141 /nfs/dbraw/zinc/59/61/41/533596141.db2.gz FFTKBSKAOKGKKH-RISCZKNCSA-N 2 2 297.399 0.210 20 0 CCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000529292052 285439551 /nfs/dbraw/zinc/43/95/51/285439551.db2.gz JFGSHITWEZDXRR-KGLIPLIRSA-N 2 2 298.431 0.347 20 0 CCADLP CNS(=O)(=O)CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000190310072 130088715 /nfs/dbraw/zinc/08/87/15/130088715.db2.gz WPGOIHGCAQWEEH-UHFFFAOYSA-N 2 2 294.380 0.511 20 0 CCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000529322615 285445000 /nfs/dbraw/zinc/44/50/00/285445000.db2.gz SOPUBKXMRQXZAC-STQMWFEESA-N 2 2 291.399 0.837 20 0 CCADLP [NH3+]C1(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)CCC1 ZINC000342102469 130261750 /nfs/dbraw/zinc/26/17/50/130261750.db2.gz MHFQLHJXDRQXHH-MRVPVSSYSA-N 2 2 265.279 0.621 20 0 CCADLP C[C@H](CO)[N@H+](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000342084148 130298192 /nfs/dbraw/zinc/29/81/92/130298192.db2.gz DCOGJXMTGFTQFG-CYBMUJFWSA-N 2 2 295.383 0.236 20 0 CCADLP C[C@H](CO)[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000342084148 130298194 /nfs/dbraw/zinc/29/81/94/130298194.db2.gz DCOGJXMTGFTQFG-CYBMUJFWSA-N 2 2 295.383 0.236 20 0 CCADLP Cn1ccc(N2CCC[C@H]([NH2+]CC3([NH3+])CCC3)C2=O)n1 ZINC000342146628 130337942 /nfs/dbraw/zinc/33/79/42/130337942.db2.gz YGWRGDGUKKBMHS-NSHDSACASA-N 2 2 277.372 0.387 20 0 CCADLP C[C@H](CNC(=O)c1csc(C[NH3+])n1)[NH+]1CCOCC1 ZINC000237495363 131036056 /nfs/dbraw/zinc/03/60/56/131036056.db2.gz PLZUCCNJUCWHJI-SECBINFHSA-N 2 2 284.385 0.052 20 0 CCADLP C[C@@H]([NH3+])C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000237527190 131038119 /nfs/dbraw/zinc/03/81/19/131038119.db2.gz BYKYPGXHPUZCHT-GHMZBOCLSA-N 2 2 278.356 0.270 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]([NH3+])Cc1ccccc1)[NH+]1CCOCC1 ZINC000237565253 131042922 /nfs/dbraw/zinc/04/29/22/131042922.db2.gz RGGLFWGOSDVTPU-ZFWWWQNUSA-N 2 2 291.395 0.393 20 0 CCADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)CC[NH3+])CC1 ZINC000237605102 131046342 /nfs/dbraw/zinc/04/63/42/131046342.db2.gz UPVZKEMTKLBBCG-UHFFFAOYSA-N 2 2 266.345 0.284 20 0 CCADLP C[C@@H]1CC[N@H+](CCCS(N)(=O)=O)C[C@H]1n1cc[nH+]c1 ZINC000245704328 131089016 /nfs/dbraw/zinc/08/90/16/131089016.db2.gz YCYNYPLEXOHDJO-VXGBXAGGSA-N 2 2 286.401 0.445 20 0 CCADLP C[C@@H]1CC[N@@H+](CCCS(N)(=O)=O)C[C@H]1n1cc[nH+]c1 ZINC000245704328 131089020 /nfs/dbraw/zinc/08/90/20/131089020.db2.gz YCYNYPLEXOHDJO-VXGBXAGGSA-N 2 2 286.401 0.445 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250397250 131124622 /nfs/dbraw/zinc/12/46/22/131124622.db2.gz ILRJEECNYJPOJN-WDEREUQCSA-N 2 2 270.377 0.281 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250397250 131124623 /nfs/dbraw/zinc/12/46/23/131124623.db2.gz ILRJEECNYJPOJN-WDEREUQCSA-N 2 2 270.377 0.281 20 0 CCADLP COC[C@H]([NH3+])C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000251742310 131130045 /nfs/dbraw/zinc/13/00/45/131130045.db2.gz KXEMOWULEGLLSE-UTUOFQBUSA-N 2 2 255.362 0.045 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000252388862 131133205 /nfs/dbraw/zinc/13/32/05/131133205.db2.gz GMVQQBGVVRMQEG-QJPTWQEYSA-N 2 2 257.378 0.197 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000252651304 131136400 /nfs/dbraw/zinc/13/64/00/131136400.db2.gz HIKCCYKCYQJOBR-GRYCIOLGSA-N 2 2 250.346 0.776 20 0 CCADLP [NH3+][C@@H](C(=O)NCCCNc1cccc[nH+]1)C1CCOCC1 ZINC000261892629 131176292 /nfs/dbraw/zinc/17/62/92/131176292.db2.gz VRSZMJGJMCAHMC-CQSZACIVSA-N 2 2 292.383 0.754 20 0 CCADLP Cc1ncc([C@@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)c(C)n1 ZINC000268888013 132084011 /nfs/dbraw/zinc/08/40/11/132084011.db2.gz JAOMBKGBAQHIKV-RISCZKNCSA-N 2 2 277.416 0.990 20 0 CCADLP Cc1ncc([C@@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)c(C)n1 ZINC000268888013 132084012 /nfs/dbraw/zinc/08/40/12/132084012.db2.gz JAOMBKGBAQHIKV-RISCZKNCSA-N 2 2 277.416 0.990 20 0 CCADLP c1n[nH]cc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657751488 413057499 /nfs/dbraw/zinc/05/74/99/413057499.db2.gz REGYPDCMLXGFRU-ZDUSSCGKSA-N 2 2 250.346 0.753 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CCCn2nccc21)C[NH+]1CCCC1 ZINC000657842798 413065804 /nfs/dbraw/zinc/06/58/04/413065804.db2.gz AGDHMSXVURYDDS-CHWSQXEVSA-N 2 2 264.373 0.764 20 0 CCADLP CCOC(=O)c1c[nH+]ccc1N1CC[NH+](CCO)CC1 ZINC000275855609 135114433 /nfs/dbraw/zinc/11/44/33/135114433.db2.gz BRSTZTJVSZCFHF-UHFFFAOYSA-N 2 2 279.340 0.373 20 0 CCADLP C[C@H](Cn1cncn1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000658006485 413087384 /nfs/dbraw/zinc/08/73/84/413087384.db2.gz HVXUIOKWPVRSPZ-LLVKDONJSA-N 2 2 260.345 0.989 20 0 CCADLP C[C@H](Cn1cncn1)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000658025734 413090930 /nfs/dbraw/zinc/09/09/30/413090930.db2.gz KPOCLEVLONIFDM-CHWSQXEVSA-N 2 2 267.377 0.103 20 0 CCADLP C[C@H](Cn1cncn1)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000658025734 413090936 /nfs/dbraw/zinc/09/09/36/413090936.db2.gz KPOCLEVLONIFDM-CHWSQXEVSA-N 2 2 267.377 0.103 20 0 CCADLP C[C@@H](CC(=O)N(C)C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658292111 413116814 /nfs/dbraw/zinc/11/68/14/413116814.db2.gz MAXZEOHCQOQALS-GXTWGEPZSA-N 2 2 283.416 0.696 20 0 CCADLP O=C([C@H]1CCCC[NH2+]1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000037799511 397385724 /nfs/dbraw/zinc/38/57/24/397385724.db2.gz GRRRYKSGKTVCSY-ZIAGYGMSSA-N 2 2 281.400 0.452 20 0 CCADLP C[C@@H](c1ccncc1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030896 397392115 /nfs/dbraw/zinc/39/21/15/397392115.db2.gz LPOFGPMHKXPCIQ-LBPRGKRZSA-N 2 2 262.357 0.506 20 0 CCADLP C[C@@H](c1ccncc1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030896 397392119 /nfs/dbraw/zinc/39/21/19/397392119.db2.gz LPOFGPMHKXPCIQ-LBPRGKRZSA-N 2 2 262.357 0.506 20 0 CCADLP COc1coc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1=O ZINC000352488392 397464328 /nfs/dbraw/zinc/46/43/28/397464328.db2.gz PMGHWNMYABJCFC-LBPRGKRZSA-N 2 2 293.367 0.128 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000356816899 144035396 /nfs/dbraw/zinc/03/53/96/144035396.db2.gz RRVVQWOTKVZQEY-CHWSQXEVSA-N 2 2 271.405 0.552 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000356816899 144035398 /nfs/dbraw/zinc/03/53/98/144035398.db2.gz RRVVQWOTKVZQEY-CHWSQXEVSA-N 2 2 271.405 0.552 20 0 CCADLP CCN(CC)C(=O)N1CC[NH+](CCOCC[NH3+])CC1 ZINC000357036136 144052894 /nfs/dbraw/zinc/05/28/94/144052894.db2.gz WQQKYJVBXUZJST-UHFFFAOYSA-N 2 2 272.393 0.041 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NCC1CCC1 ZINC000357080617 144058045 /nfs/dbraw/zinc/05/80/45/144058045.db2.gz FIRPWPNXQKMABK-OLZOCXBDSA-N 2 2 251.374 0.444 20 0 CCADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NCC1CCC1 ZINC000357080617 144058046 /nfs/dbraw/zinc/05/80/46/144058046.db2.gz FIRPWPNXQKMABK-OLZOCXBDSA-N 2 2 251.374 0.444 20 0 CCADLP [NH3+]CCOCC[N@@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000357081453 144058577 /nfs/dbraw/zinc/05/85/77/144058577.db2.gz GXGIDICVVZASBC-CYBMUJFWSA-N 2 2 263.341 0.135 20 0 CCADLP [NH3+]CCOCC[N@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC000357081453 144058578 /nfs/dbraw/zinc/05/85/78/144058578.db2.gz GXGIDICVVZASBC-CYBMUJFWSA-N 2 2 263.341 0.135 20 0 CCADLP c1nc2cnccn2c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357105878 144060687 /nfs/dbraw/zinc/06/06/87/144060687.db2.gz OFSKHBQWQCHPRM-RYUDHWBXSA-N 2 2 257.341 0.771 20 0 CCADLP c1nc2cnccn2c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357105878 144060689 /nfs/dbraw/zinc/06/06/89/144060689.db2.gz OFSKHBQWQCHPRM-RYUDHWBXSA-N 2 2 257.341 0.771 20 0 CCADLP C[C@H](CNC(=O)C[C@H]1COCC[NH2+]1)Cn1cc[nH+]c1 ZINC000357206046 144069815 /nfs/dbraw/zinc/06/98/15/144069815.db2.gz WHTNDSGTSNOFSY-NEPJUHHUSA-N 2 2 266.345 0.014 20 0 CCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH+]2CCOCC2)[C@H](C)C1 ZINC000357233635 144071382 /nfs/dbraw/zinc/07/13/82/144071382.db2.gz FADSMCMCNPTWBR-ILXRZTDVSA-N 2 2 297.443 0.896 20 0 CCADLP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH+]2CCOCC2)[C@H](C)C1 ZINC000357233635 144071383 /nfs/dbraw/zinc/07/13/83/144071383.db2.gz FADSMCMCNPTWBR-ILXRZTDVSA-N 2 2 297.443 0.896 20 0 CCADLP Cc1cc(C[N@@H+](C)C2CC[NH+](CCO)CC2)on1 ZINC000357651440 144109272 /nfs/dbraw/zinc/10/92/72/144109272.db2.gz SSYKEUXOUJYKJH-UHFFFAOYSA-N 2 2 253.346 0.872 20 0 CCADLP Cc1cc(C[N@H+](C)C2CC[NH+](CCO)CC2)on1 ZINC000357651440 144109273 /nfs/dbraw/zinc/10/92/73/144109273.db2.gz SSYKEUXOUJYKJH-UHFFFAOYSA-N 2 2 253.346 0.872 20 0 CCADLP CCN(CC)C(=O)[C@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357653518 144109835 /nfs/dbraw/zinc/10/98/35/144109835.db2.gz XDRUITOXRQALET-ZDUSSCGKSA-N 2 2 285.432 0.632 20 0 CCADLP CCN(CC)C(=O)[C@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357653518 144109836 /nfs/dbraw/zinc/10/98/36/144109836.db2.gz XDRUITOXRQALET-ZDUSSCGKSA-N 2 2 285.432 0.632 20 0 CCADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000357938339 144135126 /nfs/dbraw/zinc/13/51/26/144135126.db2.gz XYKGEEPSNGAPQJ-QWHCGFSZSA-N 2 2 272.308 0.534 20 0 CCADLP COCC(=O)N1CCC([NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000358043925 144145016 /nfs/dbraw/zinc/14/50/16/144145016.db2.gz XDCMKFKBOJUFBR-DOMZBBRYSA-N 2 2 295.427 0.696 20 0 CCADLP COCC(=O)N1CCC([NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000358043925 144145018 /nfs/dbraw/zinc/14/50/18/144145018.db2.gz XDCMKFKBOJUFBR-DOMZBBRYSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCNC(=O)c1ccco1 ZINC000358054885 144146530 /nfs/dbraw/zinc/14/65/30/144146530.db2.gz AEGMIIMHOLYHMQ-QWRGUYRKSA-N 2 2 251.330 0.549 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCNC(=O)c1ccco1 ZINC000358054885 144146531 /nfs/dbraw/zinc/14/65/31/144146531.db2.gz AEGMIIMHOLYHMQ-QWRGUYRKSA-N 2 2 251.330 0.549 20 0 CCADLP COCC[N@H+](C)CCNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368196458 144211624 /nfs/dbraw/zinc/21/16/24/144211624.db2.gz SYDXIJSUMAEVCG-NSHDSACASA-N 2 2 295.387 0.144 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368196458 144211626 /nfs/dbraw/zinc/21/16/26/144211626.db2.gz SYDXIJSUMAEVCG-NSHDSACASA-N 2 2 295.387 0.144 20 0 CCADLP COCC[N@H+](C)CCNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368196458 144211627 /nfs/dbraw/zinc/21/16/27/144211627.db2.gz SYDXIJSUMAEVCG-NSHDSACASA-N 2 2 295.387 0.144 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368196458 144211629 /nfs/dbraw/zinc/21/16/29/144211629.db2.gz SYDXIJSUMAEVCG-NSHDSACASA-N 2 2 295.387 0.144 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCOCC3(CCCC3)C2)CC1 ZINC000369015198 144252015 /nfs/dbraw/zinc/25/20/15/144252015.db2.gz AGYRUPZIZSAYQG-UHFFFAOYSA-N 2 2 295.427 0.653 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCOCC3(CCCC3)C2)CC1 ZINC000369015198 144252016 /nfs/dbraw/zinc/25/20/16/144252016.db2.gz AGYRUPZIZSAYQG-UHFFFAOYSA-N 2 2 295.427 0.653 20 0 CCADLP CCn1cc[nH+]c1CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000369238850 144259353 /nfs/dbraw/zinc/25/93/53/144259353.db2.gz SMVKQBBCLFNXKZ-ZIAGYGMSSA-N 2 2 278.400 0.934 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000370419259 144301804 /nfs/dbraw/zinc/30/18/04/144301804.db2.gz UHHWUKJERCEINQ-GFCCVEGCSA-N 2 2 273.340 0.849 20 0 CCADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)N1CCC1 ZINC000372663073 144376479 /nfs/dbraw/zinc/37/64/79/144376479.db2.gz JCBFRMDYQYVFCB-CYBMUJFWSA-N 2 2 251.374 0.636 20 0 CCADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)N1CCC1 ZINC000372663073 144376480 /nfs/dbraw/zinc/37/64/80/144376480.db2.gz JCBFRMDYQYVFCB-CYBMUJFWSA-N 2 2 251.374 0.636 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC000372834329 144381981 /nfs/dbraw/zinc/38/19/81/144381981.db2.gz AVWHLNGOZJQPMQ-CYBMUJFWSA-N 2 2 269.389 0.260 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC000372834329 144381983 /nfs/dbraw/zinc/38/19/83/144381983.db2.gz AVWHLNGOZJQPMQ-CYBMUJFWSA-N 2 2 269.389 0.260 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372989848 144388181 /nfs/dbraw/zinc/38/81/81/144388181.db2.gz MXVLYPANMTXQGW-GFCCVEGCSA-N 2 2 277.434 0.342 20 0 CCADLP CCS(=O)(=O)NCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372989848 144388183 /nfs/dbraw/zinc/38/81/83/144388183.db2.gz MXVLYPANMTXQGW-GFCCVEGCSA-N 2 2 277.434 0.342 20 0 CCADLP CCc1cnc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])s1 ZINC000394751226 397518974 /nfs/dbraw/zinc/51/89/74/397518974.db2.gz UAYGWBTXNSGJCN-JTQLQIEISA-N 2 2 254.403 0.780 20 0 CCADLP CCc1cnc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])s1 ZINC000394751226 397518976 /nfs/dbraw/zinc/51/89/76/397518976.db2.gz UAYGWBTXNSGJCN-JTQLQIEISA-N 2 2 254.403 0.780 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)CCCO1 ZINC000439467379 397539582 /nfs/dbraw/zinc/53/95/82/397539582.db2.gz JVEFOVDXAJTEMS-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CCCO1 ZINC000439467379 397539585 /nfs/dbraw/zinc/53/95/85/397539585.db2.gz JVEFOVDXAJTEMS-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](C[C@@H](O)C2CCCCC2)CC1=O ZINC000649685803 397655615 /nfs/dbraw/zinc/65/56/15/397655615.db2.gz MQOZHNBWXMGVHG-OAHLLOKOSA-N 2 2 297.443 0.633 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](C[C@@H](O)C2CCCCC2)CC1=O ZINC000649685803 397655618 /nfs/dbraw/zinc/65/56/18/397655618.db2.gz MQOZHNBWXMGVHG-OAHLLOKOSA-N 2 2 297.443 0.633 20 0 CCADLP CCN(CC)C(=O)C[NH+]1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000649411456 397606111 /nfs/dbraw/zinc/60/61/11/397606111.db2.gz ZWJOGTVMWMPVFR-AWEZNQCLSA-N 2 2 282.432 0.082 20 0 CCADLP CCN(CC)C(=O)CN1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000649411456 397606112 /nfs/dbraw/zinc/60/61/12/397606112.db2.gz ZWJOGTVMWMPVFR-AWEZNQCLSA-N 2 2 282.432 0.082 20 0 CCADLP Cn1cc(N2CCC[C@H]([NH+]3CCC(C)([NH3+])CC3)C2=O)cn1 ZINC000649416120 397609489 /nfs/dbraw/zinc/60/94/89/397609489.db2.gz PRULETBIUAVREM-ZDUSSCGKSA-N 2 2 291.399 0.729 20 0 CCADLP CC(C)NC(=O)C[NH+]1CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000649482233 397619120 /nfs/dbraw/zinc/61/91/20/397619120.db2.gz GEWSIGOFRRWLSD-CQSZACIVSA-N 2 2 282.432 0.223 20 0 CCADLP CC(C)NC(=O)C[NH+]1CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000649482233 397619122 /nfs/dbraw/zinc/61/91/22/397619122.db2.gz GEWSIGOFRRWLSD-CQSZACIVSA-N 2 2 282.432 0.223 20 0 CCADLP COCCOCC[NH+]1CCN(Cc2c[nH+]cn2C)CC1 ZINC000649897495 397680969 /nfs/dbraw/zinc/68/09/69/397680969.db2.gz WBXZGXVVNGJDGW-UHFFFAOYSA-N 2 2 282.388 0.201 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@]3(CC3(F)F)C2)CC1 ZINC000649902938 397681620 /nfs/dbraw/zinc/68/16/20/397681620.db2.gz HSOATFRGHOVBLF-LBPRGKRZSA-N 2 2 273.327 0.492 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@]3(CC3(F)F)C2)CC1 ZINC000649902938 397681624 /nfs/dbraw/zinc/68/16/24/397681624.db2.gz HSOATFRGHOVBLF-LBPRGKRZSA-N 2 2 273.327 0.492 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N1CC[N@H+](CC)[C@H](C)C1 ZINC000685594915 545843014 /nfs/dbraw/zinc/84/30/14/545843014.db2.gz KORGRLKKZINVGT-CYBMUJFWSA-N 2 2 291.461 0.684 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N1CC[N@@H+](CC)[C@H](C)C1 ZINC000685594915 545843019 /nfs/dbraw/zinc/84/30/19/545843019.db2.gz KORGRLKKZINVGT-CYBMUJFWSA-N 2 2 291.461 0.684 20 0 CCADLP C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000548085101 286003943 /nfs/dbraw/zinc/00/39/43/286003943.db2.gz BBEFKJNWZSLUAY-YJNKXOJESA-N 2 2 297.443 0.942 20 0 CCADLP C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000548085101 286003944 /nfs/dbraw/zinc/00/39/44/286003944.db2.gz BBEFKJNWZSLUAY-YJNKXOJESA-N 2 2 297.443 0.942 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000548191191 286015188 /nfs/dbraw/zinc/01/51/88/286015188.db2.gz DPFQGFGKCRCAAN-UHFFFAOYSA-N 2 2 262.357 0.517 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2[C@H](C)C[C@@H]2C)C1 ZINC000548426364 286035387 /nfs/dbraw/zinc/03/53/87/286035387.db2.gz WOIOYKZYAXSGPC-QLFBSQMISA-N 2 2 297.443 0.942 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2[C@H](C)C[C@@H]2C)C1 ZINC000548426364 286035388 /nfs/dbraw/zinc/03/53/88/286035388.db2.gz WOIOYKZYAXSGPC-QLFBSQMISA-N 2 2 297.443 0.942 20 0 CCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2[C@H](C)C[C@@H]2C)C1 ZINC000548426364 286035390 /nfs/dbraw/zinc/03/53/90/286035390.db2.gz WOIOYKZYAXSGPC-QLFBSQMISA-N 2 2 297.443 0.942 20 0 CCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2[C@H](C)C[C@@H]2C)C1 ZINC000548426364 286035391 /nfs/dbraw/zinc/03/53/91/286035391.db2.gz WOIOYKZYAXSGPC-QLFBSQMISA-N 2 2 297.443 0.942 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548609234 286051613 /nfs/dbraw/zinc/05/16/13/286051613.db2.gz WMDMGTTZLVIQMV-RYUDHWBXSA-N 2 2 288.355 0.782 20 0 CCADLP O=C(NCCC[NH+]1CCOCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000553190398 286184390 /nfs/dbraw/zinc/18/43/90/286184390.db2.gz QKJRGWOVBZVJQV-CYBMUJFWSA-N 2 2 292.383 0.284 20 0 CCADLP CS(=O)(=O)CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000343251229 286595774 /nfs/dbraw/zinc/59/57/74/286595774.db2.gz LYCJSHSNVBFFBN-YNEHKIRRSA-N 2 2 290.429 0.168 20 0 CCADLP COCCC[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000361219889 292382158 /nfs/dbraw/zinc/38/21/58/292382158.db2.gz HMLHEDBHYGWSQQ-STQMWFEESA-N 2 2 271.405 0.731 20 0 CCADLP COCCC[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000361219889 292382160 /nfs/dbraw/zinc/38/21/60/292382160.db2.gz HMLHEDBHYGWSQQ-STQMWFEESA-N 2 2 271.405 0.731 20 0 CCADLP O=C(C[C@H]1CSCC[NH2+]1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659357714 413443966 /nfs/dbraw/zinc/44/39/66/413443966.db2.gz LQBUFGANOUSIAB-STQMWFEESA-N 2 2 299.440 0.015 20 0 CCADLP O=C(C[C@@H]1CSCC[NH2+]1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659357679 413442944 /nfs/dbraw/zinc/44/29/44/413442944.db2.gz LQBUFGANOUSIAB-OLZOCXBDSA-N 2 2 299.440 0.015 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@@H](C)[C@@H](C)[NH3+])CCO1 ZINC000418730891 287194932 /nfs/dbraw/zinc/19/49/32/287194932.db2.gz SOORGCGZIXPPSC-GRYCIOLGSA-N 2 2 272.393 0.132 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@@H](C)[C@@H](C)[NH3+])CCO1 ZINC000418730891 287194933 /nfs/dbraw/zinc/19/49/33/287194933.db2.gz SOORGCGZIXPPSC-GRYCIOLGSA-N 2 2 272.393 0.132 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cnn(C)c1 ZINC000311152785 411749715 /nfs/dbraw/zinc/74/97/15/411749715.db2.gz NPRLFRBXWUBDSO-YPMHNXCESA-N 2 2 254.378 0.772 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cnn(C)c1 ZINC000311152785 411749717 /nfs/dbraw/zinc/74/97/17/411749717.db2.gz NPRLFRBXWUBDSO-YPMHNXCESA-N 2 2 254.378 0.772 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])no1 ZINC000404430203 411795447 /nfs/dbraw/zinc/79/54/47/411795447.db2.gz OFZXXPQHELQGOW-CMPLNLGQSA-N 2 2 280.372 0.793 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])no1 ZINC000404430203 411795454 /nfs/dbraw/zinc/79/54/54/411795454.db2.gz OFZXXPQHELQGOW-CMPLNLGQSA-N 2 2 280.372 0.793 20 0 CCADLP Cc1cccn2cc(CN3CC[N@@H+]4C[C@H](O)C[C@H]4C3)[nH+]c12 ZINC000405675828 411804118 /nfs/dbraw/zinc/80/41/18/411804118.db2.gz LCVTVRCOMUNDEV-LSDHHAIUSA-N 2 2 286.379 0.894 20 0 CCADLP Cc1cccn2cc(CN3CC[N@H+]4C[C@H](O)C[C@H]4C3)[nH+]c12 ZINC000405675828 411804122 /nfs/dbraw/zinc/80/41/22/411804122.db2.gz LCVTVRCOMUNDEV-LSDHHAIUSA-N 2 2 286.379 0.894 20 0 CCADLP C[C@@H]([NH2+]CC[NH+](C)C)c1cccc(-n2cnnn2)c1 ZINC000019261741 170762191 /nfs/dbraw/zinc/76/21/91/170762191.db2.gz LEUOMVLAYKGLQN-LLVKDONJSA-N 2 2 260.345 0.875 20 0 CCADLP C[C@H](CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)n1cc[nH+]c1 ZINC000651490391 411886657 /nfs/dbraw/zinc/88/66/57/411886657.db2.gz KGHOLPGSKKTJRA-ZIAGYGMSSA-N 2 2 292.383 0.767 20 0 CCADLP Cc1cccc2[nH+]cc(CN3CC([N@@H+]4CC[C@@H](O)C4)C3)n21 ZINC000651977912 411970549 /nfs/dbraw/zinc/97/05/49/411970549.db2.gz HGMNATKRQHEOOH-OAHLLOKOSA-N 2 2 286.379 0.894 20 0 CCADLP Cc1cccc2[nH+]cc(CN3CC([N@H+]4CC[C@@H](O)C4)C3)n21 ZINC000651977912 411970552 /nfs/dbraw/zinc/97/05/52/411970552.db2.gz HGMNATKRQHEOOH-OAHLLOKOSA-N 2 2 286.379 0.894 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)NCCC2(C[NH3+])CC2)CCO1 ZINC000652143768 411992521 /nfs/dbraw/zinc/99/25/21/411992521.db2.gz KGSQFULEFVJHGG-UHFFFAOYSA-N 2 2 298.431 0.525 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)NCCC2(C[NH3+])CC2)CCO1 ZINC000652143768 411992523 /nfs/dbraw/zinc/99/25/23/411992523.db2.gz KGSQFULEFVJHGG-UHFFFAOYSA-N 2 2 298.431 0.525 20 0 CCADLP COCC[NH2+]C1CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC000652344910 412034435 /nfs/dbraw/zinc/03/44/35/412034435.db2.gz UFHDMCRAHNDZNQ-OAHLLOKOSA-N 2 2 286.416 0.882 20 0 CCADLP C[C@@H]1CCC[N@H+](Cc2nc(=O)n(C)[nH]2)[C@@H]1CC[NH3+] ZINC000652356156 412035908 /nfs/dbraw/zinc/03/59/08/412035908.db2.gz USGZKQPZWNAFAG-NXEZZACHSA-N 2 2 253.350 0.058 20 0 CCADLP C[C@@H]1CCC[N@@H+](Cc2nc(=O)n(C)[nH]2)[C@@H]1CC[NH3+] ZINC000652356156 412035912 /nfs/dbraw/zinc/03/59/12/412035912.db2.gz USGZKQPZWNAFAG-NXEZZACHSA-N 2 2 253.350 0.058 20 0 CCADLP CC(C)C[C@H]1COCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653089219 412214421 /nfs/dbraw/zinc/21/44/21/412214421.db2.gz AUQLBOBSVCMNOF-STQMWFEESA-N 2 2 271.405 0.539 20 0 CCADLP CCCCN(CCOC)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653089050 412214701 /nfs/dbraw/zinc/21/47/01/412214701.db2.gz WJWCUDWCVHNMRQ-GFCCVEGCSA-N 2 2 259.394 0.541 20 0 CCADLP COc1ccccc1[C@@H]([NH3+])CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653043813 412198497 /nfs/dbraw/zinc/19/84/97/412198497.db2.gz CINRWGITSVWEEU-OLZOCXBDSA-N 3 2 294.399 0.090 20 0 CCADLP CC(C)(C[NH3+])NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653048921 412201614 /nfs/dbraw/zinc/20/16/14/412201614.db2.gz FVMHPQVVIXRFPO-UHFFFAOYSA-N 2 2 250.346 0.615 20 0 CCADLP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653054038 412202157 /nfs/dbraw/zinc/20/21/57/412202157.db2.gz RRHNQVYOYIIGAH-GWCFXTLKSA-N 3 2 264.373 0.924 20 0 CCADLP CC(C)([NH3+])CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653054145 412202563 /nfs/dbraw/zinc/20/25/63/412202563.db2.gz YVOOZXURKJCEGF-UHFFFAOYSA-N 2 2 250.346 0.615 20 0 CCADLP CO[C@H](CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C(F)(F)F ZINC000653055024 412203244 /nfs/dbraw/zinc/20/32/44/412203244.db2.gz ISAOQEBXOVEULE-DTWKUNHWSA-N 2 2 283.294 0.055 20 0 CCADLP CO[C@H](CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C(F)(F)F ZINC000653055024 412203247 /nfs/dbraw/zinc/20/32/47/412203247.db2.gz ISAOQEBXOVEULE-DTWKUNHWSA-N 2 2 283.294 0.055 20 0 CCADLP COc1ccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1OC ZINC000653056964 412204253 /nfs/dbraw/zinc/20/42/53/412204253.db2.gz HGOYPIYNSUOXAQ-GFCCVEGCSA-N 2 2 295.383 0.599 20 0 CCADLP CCOc1ccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653066817 412207154 /nfs/dbraw/zinc/20/71/54/412207154.db2.gz DCMZHJKQCLOLEZ-AWEZNQCLSA-N 2 2 279.384 0.981 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1ccc(F)cc1F ZINC000653065646 412207813 /nfs/dbraw/zinc/20/78/13/412207813.db2.gz NFMWPYNODBQYEW-GFCCVEGCSA-N 2 2 271.311 0.860 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1cc(F)ccc1F ZINC000653065638 412207877 /nfs/dbraw/zinc/20/78/77/412207877.db2.gz MXERODWWQSSJHM-LBPRGKRZSA-N 2 2 271.311 0.860 20 0 CCADLP COc1ccc(CN(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1O ZINC000653076659 412209921 /nfs/dbraw/zinc/20/99/21/412209921.db2.gz ANUUXUADJZAONP-LBPRGKRZSA-N 2 2 295.383 0.638 20 0 CCADLP CCN(C[C@@H]1CCCO1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653078905 412210799 /nfs/dbraw/zinc/21/07/99/412210799.db2.gz NIROICMXGYBBMB-RYUDHWBXSA-N 2 2 257.378 0.293 20 0 CCADLP COc1ccccc1CCN(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653087235 412213312 /nfs/dbraw/zinc/21/33/12/412213312.db2.gz POMPMSBKTXVVEB-AWEZNQCLSA-N 2 2 293.411 0.975 20 0 CCADLP CC(C)O[C@@H]1CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653198619 412258129 /nfs/dbraw/zinc/25/81/29/412258129.db2.gz FOLNUAWFMFNOOU-CHWSQXEVSA-N 2 2 271.405 0.681 20 0 CCADLP COC(C)(C)C[C@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653096865 412217541 /nfs/dbraw/zinc/21/75/41/412217541.db2.gz XVHQFSJMQJVLFQ-WDEREUQCSA-N 2 2 259.394 0.585 20 0 CCADLP COCCC1(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)CCCC1 ZINC000653098980 412218259 /nfs/dbraw/zinc/21/82/59/412218259.db2.gz BCQXYILZPBJSKA-ZDUSSCGKSA-N 2 2 285.432 0.979 20 0 CCADLP CO[C@]1(C)C[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1(C)C ZINC000653102100 412218941 /nfs/dbraw/zinc/21/89/41/412218941.db2.gz NWUOLPXTJFFJTF-COPLHBTASA-N 2 2 271.405 0.585 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCCCC1 ZINC000653106542 412220379 /nfs/dbraw/zinc/22/03/79/412220379.db2.gz BUCFGERNYDDFFC-CYBMUJFWSA-N 3 2 270.421 0.258 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000653109499 412222945 /nfs/dbraw/zinc/22/29/45/412222945.db2.gz CUYHUUZCWXYDNQ-GJZGRUSLSA-N 3 2 298.475 0.892 20 0 CCADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653112663 412223811 /nfs/dbraw/zinc/22/38/11/412223811.db2.gz GAHRXSKBXRSECY-BARDWOONSA-N 3 2 298.475 0.748 20 0 CCADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653112663 412223814 /nfs/dbraw/zinc/22/38/14/412223814.db2.gz GAHRXSKBXRSECY-BARDWOONSA-N 3 2 298.475 0.748 20 0 CCADLP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653111773 412223911 /nfs/dbraw/zinc/22/39/11/412223911.db2.gz AJNCTMXSYOBBGG-RYUDHWBXSA-N 3 2 258.410 0.112 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000653121018 412229234 /nfs/dbraw/zinc/22/92/34/412229234.db2.gz KSQAXQNWSTUUKK-LSDHHAIUSA-N 3 2 296.459 0.742 20 0 CCADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653120021 412230629 /nfs/dbraw/zinc/23/06/29/412230629.db2.gz CQWOPMKOGQTJMY-KBPBESRZSA-N 3 2 284.448 0.646 20 0 CCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C)C[C@H]1C ZINC000653122517 412232630 /nfs/dbraw/zinc/23/26/30/412232630.db2.gz YFLXMWMXFHSVQX-RDBSUJKOSA-N 3 2 284.448 0.597 20 0 CCADLP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C)C[C@H]1C ZINC000653122517 412232631 /nfs/dbraw/zinc/23/26/31/412232631.db2.gz YFLXMWMXFHSVQX-RDBSUJKOSA-N 3 2 284.448 0.597 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653131262 412236247 /nfs/dbraw/zinc/23/62/47/412236247.db2.gz CZPXGIMVIPUDSK-AAEUAGOBSA-N 2 2 276.384 0.876 20 0 CCADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653149143 412242261 /nfs/dbraw/zinc/24/22/61/412242261.db2.gz XXNRAYDVQYKIKI-TZMCWYRMSA-N 3 2 284.448 0.454 20 0 CCADLP CN(C)c1cccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)n1 ZINC000653150811 412242926 /nfs/dbraw/zinc/24/29/26/412242926.db2.gz PVDYTJNBUIPNKF-JTQLQIEISA-N 2 2 265.361 0.365 20 0 CCADLP CO[C@H]1CCCC[C@@H]1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653150514 412243641 /nfs/dbraw/zinc/24/36/41/412243641.db2.gz DKJLVGBHFJNCFD-WOPDTQHZSA-N 2 2 257.378 0.339 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000653165119 412250095 /nfs/dbraw/zinc/25/00/95/412250095.db2.gz QFUMGTPXMOANJV-QWHCGFSZSA-N 3 2 276.384 0.182 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1C1CC1 ZINC000653543516 412314083 /nfs/dbraw/zinc/31/40/83/412314083.db2.gz QKDFWRLIHWHPSC-ZIAGYGMSSA-N 2 2 256.390 0.800 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1C1CC1 ZINC000653543516 412314088 /nfs/dbraw/zinc/31/40/88/412314088.db2.gz QKDFWRLIHWHPSC-ZIAGYGMSSA-N 2 2 256.390 0.800 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000653543516 412314091 /nfs/dbraw/zinc/31/40/91/412314091.db2.gz QKDFWRLIHWHPSC-ZIAGYGMSSA-N 2 2 256.390 0.800 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1C1CC1 ZINC000653543516 412314094 /nfs/dbraw/zinc/31/40/94/412314094.db2.gz QKDFWRLIHWHPSC-ZIAGYGMSSA-N 2 2 256.390 0.800 20 0 CCADLP C[C@H]1CC(=O)NCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000653593644 412323025 /nfs/dbraw/zinc/32/30/25/412323025.db2.gz JCEZAFVBOJMWIU-NSHDSACASA-N 2 2 250.346 0.563 20 0 CCADLP C[C@H]1CC(=O)NCC[N@H+]1CCCc1c[nH+]cn1C ZINC000653593644 412323027 /nfs/dbraw/zinc/32/30/27/412323027.db2.gz JCEZAFVBOJMWIU-NSHDSACASA-N 2 2 250.346 0.563 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@@H](F)C1 ZINC000653609332 412325122 /nfs/dbraw/zinc/32/51/22/412325122.db2.gz IADUCAVDYLCZMH-AVGNSLFASA-N 2 2 262.369 0.605 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@@H](F)C1 ZINC000653609332 412325126 /nfs/dbraw/zinc/32/51/26/412325126.db2.gz IADUCAVDYLCZMH-AVGNSLFASA-N 2 2 262.369 0.605 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000653609332 412325127 /nfs/dbraw/zinc/32/51/27/412325127.db2.gz IADUCAVDYLCZMH-AVGNSLFASA-N 2 2 262.369 0.605 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000653609332 412325131 /nfs/dbraw/zinc/32/51/31/412325131.db2.gz IADUCAVDYLCZMH-AVGNSLFASA-N 2 2 262.369 0.605 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)CC[C@@H]1CCCO1 ZINC000653635770 412328123 /nfs/dbraw/zinc/32/81/23/412328123.db2.gz CIKKFHOPNFVOEQ-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)CC[C@@H]1CCCO1 ZINC000653635770 412328127 /nfs/dbraw/zinc/32/81/27/412328127.db2.gz CIKKFHOPNFVOEQ-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)CC[C@@H]1CCCO1 ZINC000653635770 412328130 /nfs/dbraw/zinc/32/81/30/412328130.db2.gz CIKKFHOPNFVOEQ-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)CC[C@@H]1CCCO1 ZINC000653635770 412328133 /nfs/dbraw/zinc/32/81/33/412328133.db2.gz CIKKFHOPNFVOEQ-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP FC(F)COCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000653644710 412330211 /nfs/dbraw/zinc/33/02/11/412330211.db2.gz HRMIINJJPPGKIK-UHFFFAOYSA-N 2 2 260.288 0.813 20 0 CCADLP Cc1[nH+]ccn1CCC[NH+]1CCN(c2nncn2C)CC1 ZINC000653821460 412351465 /nfs/dbraw/zinc/35/14/65/412351465.db2.gz XBDVYZLNHZSWMN-UHFFFAOYSA-N 2 2 289.387 0.532 20 0 CCADLP C[C@@H](CNc1ccccc1)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653347108 412292140 /nfs/dbraw/zinc/29/21/40/412292140.db2.gz SGGOMPCIBJCODR-JSGCOSHPSA-N 2 2 278.400 0.882 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659450725 413508616 /nfs/dbraw/zinc/50/86/16/413508616.db2.gz GIAVGLAHVDHMLY-LLVKDONJSA-N 2 2 272.393 0.086 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659450725 413508622 /nfs/dbraw/zinc/50/86/22/413508622.db2.gz GIAVGLAHVDHMLY-LLVKDONJSA-N 2 2 272.393 0.086 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)NCC1([NH3+])CCCC1 ZINC000659449276 413509321 /nfs/dbraw/zinc/50/93/21/413509321.db2.gz BZPRZHXLPNMVJU-UHFFFAOYSA-N 2 2 298.431 0.668 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)NCC1([NH3+])CCCC1 ZINC000659449276 413509328 /nfs/dbraw/zinc/50/93/28/413509328.db2.gz BZPRZHXLPNMVJU-UHFFFAOYSA-N 2 2 298.431 0.668 20 0 CCADLP [NH3+][C@@H]1CN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC[C@H]1F ZINC000659495009 413547858 /nfs/dbraw/zinc/54/78/58/413547858.db2.gz YVLSDIXWPZNAHV-IVZWLZJFSA-N 2 2 281.335 0.348 20 0 CCADLP [NH3+][C@@H]1CN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC[C@H]1F ZINC000659495009 413547866 /nfs/dbraw/zinc/54/78/66/413547866.db2.gz YVLSDIXWPZNAHV-IVZWLZJFSA-N 2 2 281.335 0.348 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)NCC1([NH3+])CCCC1)CC2 ZINC000659573108 413668256 /nfs/dbraw/zinc/66/82/56/413668256.db2.gz KQNQZHLAVUTBRI-UHFFFAOYSA-N 2 2 277.372 0.988 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000659638232 413740474 /nfs/dbraw/zinc/74/04/74/413740474.db2.gz IXQCDQNBDWTBCX-CYBMUJFWSA-N 2 2 291.399 0.517 20 0 CCADLP [NH3+]C1(CNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CCCC1 ZINC000659579273 413676508 /nfs/dbraw/zinc/67/65/08/413676508.db2.gz YDIOLVZBDHZEPV-BETUJISGSA-N 2 2 296.415 0.420 20 0 CCADLP [NH3+]C1(CNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CCCC1 ZINC000659579273 413676518 /nfs/dbraw/zinc/67/65/18/413676518.db2.gz YDIOLVZBDHZEPV-BETUJISGSA-N 2 2 296.415 0.420 20 0 CCADLP C[NH2+][C@@H]1CCN(C(=O)N[C@H](C)c2[nH+]ccn2C)C1 ZINC000659629425 413723797 /nfs/dbraw/zinc/72/37/97/413723797.db2.gz WOYGXTDIRLXTQI-NXEZZACHSA-N 2 2 251.334 0.484 20 0 CCADLP C[C@H](NC(=O)N(C)C1CC([NH3+])C1)c1[nH+]ccn1C ZINC000659628164 413725322 /nfs/dbraw/zinc/72/53/22/413725322.db2.gz MGEIAZDCDCESIT-IDKOKCKLSA-N 2 2 251.334 0.612 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(=O)[nH]n1 ZINC000285509053 196308097 /nfs/dbraw/zinc/30/80/97/196308097.db2.gz DEFFZQFUKYBTAC-XQQFMLRXSA-N 2 2 294.399 0.920 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(=O)[nH]n1 ZINC000285509053 196308098 /nfs/dbraw/zinc/30/80/98/196308098.db2.gz DEFFZQFUKYBTAC-XQQFMLRXSA-N 2 2 294.399 0.920 20 0 CCADLP C[C@@H](O)C[N@H+](C)C1CCN(Cc2cn(C)c[nH+]2)CC1 ZINC000659896712 413948982 /nfs/dbraw/zinc/94/89/82/413948982.db2.gz OXGWTXDBBRGHNF-GFCCVEGCSA-N 2 2 266.389 0.697 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C1CCN(Cc2cn(C)c[nH+]2)CC1 ZINC000659896712 413948989 /nfs/dbraw/zinc/94/89/89/413948989.db2.gz OXGWTXDBBRGHNF-GFCCVEGCSA-N 2 2 266.389 0.697 20 0 CCADLP CO[C@@H](C[NH+]1CCN(C(=O)C[NH+](C)C)CC1)C1CCCC1 ZINC000659839158 413907392 /nfs/dbraw/zinc/90/73/92/413907392.db2.gz SEVZKCJERRKHGO-HNNXBMFYSA-N 2 2 297.443 0.897 20 0 CCADLP C[C@H]1C[NH+](CCN2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000659857034 413914908 /nfs/dbraw/zinc/91/49/08/413914908.db2.gz JJCVBQSDCJXXHH-KBPBESRZSA-N 2 2 267.417 0.876 20 0 CCADLP CCN1CC[C@H]([NH+]2CCC([N@H+](C)CCCO)CC2)C1=O ZINC000659932073 413981274 /nfs/dbraw/zinc/98/12/74/413981274.db2.gz YLNSVHGMDCLKNL-AWEZNQCLSA-N 2 2 283.416 0.386 20 0 CCADLP CCN1CC[C@H]([NH+]2CCC([N@@H+](C)CCCO)CC2)C1=O ZINC000659932073 413981275 /nfs/dbraw/zinc/98/12/75/413981275.db2.gz YLNSVHGMDCLKNL-AWEZNQCLSA-N 2 2 283.416 0.386 20 0 CCADLP CN1CC(=O)N(CC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1=O ZINC000659999437 414039731 /nfs/dbraw/zinc/03/97/31/414039731.db2.gz RKGAYSLPHXYXBW-UHFFFAOYSA-N 2 2 291.355 0.483 20 0 CCADLP CO[C@@H](C[NH+]1CCN(c2[nH+]ccn2C)CC1)[C@H]1CCOC1 ZINC000660114675 414119277 /nfs/dbraw/zinc/11/92/77/414119277.db2.gz YLVTXYVDJBSLLV-KBPBESRZSA-N 2 2 294.399 0.594 20 0 CCADLP C[N@H+](CCc1cn[nH]n1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000660420639 414305594 /nfs/dbraw/zinc/30/55/94/414305594.db2.gz SFOSJHQHAXTTQF-LLVKDONJSA-N 2 2 260.345 0.738 20 0 CCADLP C[N@@H+](CCc1cn[nH]n1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000660420639 414305602 /nfs/dbraw/zinc/30/56/02/414305602.db2.gz SFOSJHQHAXTTQF-LLVKDONJSA-N 2 2 260.345 0.738 20 0 CCADLP C[N@H+](CCc1c[nH]nn1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000660420639 414305607 /nfs/dbraw/zinc/30/56/07/414305607.db2.gz SFOSJHQHAXTTQF-LLVKDONJSA-N 2 2 260.345 0.738 20 0 CCADLP C[N@@H+](CCc1c[nH]nn1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000660420639 414305614 /nfs/dbraw/zinc/30/56/14/414305614.db2.gz SFOSJHQHAXTTQF-LLVKDONJSA-N 2 2 260.345 0.738 20 0 CCADLP CO[C@H](C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)[C@@H]1CCOC1 ZINC000660420416 414306060 /nfs/dbraw/zinc/30/60/60/414306060.db2.gz RHYFIKAALHIRFZ-CHWSQXEVSA-N 2 2 280.372 0.583 20 0 CCADLP OCC1(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)COC1 ZINC000660474500 414343120 /nfs/dbraw/zinc/34/31/20/414343120.db2.gz KPWVKAFEAIYDFF-AWEZNQCLSA-N 2 2 284.400 0.182 20 0 CCADLP OCC1(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)COC1 ZINC000660474500 414343124 /nfs/dbraw/zinc/34/31/24/414343124.db2.gz KPWVKAFEAIYDFF-AWEZNQCLSA-N 2 2 284.400 0.182 20 0 CCADLP CN1CCC[C@@H]([N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1=O ZINC000660477498 414348042 /nfs/dbraw/zinc/34/80/42/414348042.db2.gz HORLDXJKWQYKBY-LSDHHAIUSA-N 2 2 295.427 0.794 20 0 CCADLP CN1CCC[C@@H]([N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1=O ZINC000660477498 414348047 /nfs/dbraw/zinc/34/80/47/414348047.db2.gz HORLDXJKWQYKBY-LSDHHAIUSA-N 2 2 295.427 0.794 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCC(c2nc(N)n[nH]2)CC1 ZINC000660565390 414392065 /nfs/dbraw/zinc/39/20/65/414392065.db2.gz PBLKOCPYXFWFTI-UHFFFAOYSA-N 2 2 275.360 0.543 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](CCCO)Cc1ccccn1 ZINC000660455744 414334647 /nfs/dbraw/zinc/33/46/47/414334647.db2.gz CAFYILOKZWRBAE-MRXNPFEDSA-N 2 2 295.427 0.967 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](CCCO)Cc1ccccn1 ZINC000660455744 414334651 /nfs/dbraw/zinc/33/46/51/414334651.db2.gz CAFYILOKZWRBAE-MRXNPFEDSA-N 2 2 295.427 0.967 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](CCCO)Cc1ccccn1 ZINC000660455744 414334656 /nfs/dbraw/zinc/33/46/56/414334656.db2.gz CAFYILOKZWRBAE-MRXNPFEDSA-N 2 2 295.427 0.967 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](CCCO)Cc1ccccn1 ZINC000660455744 414334659 /nfs/dbraw/zinc/33/46/59/414334659.db2.gz CAFYILOKZWRBAE-MRXNPFEDSA-N 2 2 295.427 0.967 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](n2cccn2)C1 ZINC000660596323 414407150 /nfs/dbraw/zinc/40/71/50/414407150.db2.gz KFWSNNJKNTUHGN-UONOGXRCSA-N 2 2 266.389 0.831 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](n2cccn2)C1 ZINC000660596323 414407155 /nfs/dbraw/zinc/40/71/55/414407155.db2.gz KFWSNNJKNTUHGN-UONOGXRCSA-N 2 2 266.389 0.831 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000660596323 414407158 /nfs/dbraw/zinc/40/71/58/414407158.db2.gz KFWSNNJKNTUHGN-UONOGXRCSA-N 2 2 266.389 0.831 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000660596323 414407163 /nfs/dbraw/zinc/40/71/63/414407163.db2.gz KFWSNNJKNTUHGN-UONOGXRCSA-N 2 2 266.389 0.831 20 0 CCADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)NCC1CC1)C2 ZINC000660656517 414432897 /nfs/dbraw/zinc/43/28/97/414432897.db2.gz VBFVOMSOKLUHAQ-HNNXBMFYSA-N 2 2 265.401 0.930 20 0 CCADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)NCC1CC1)C2 ZINC000660656517 414432900 /nfs/dbraw/zinc/43/29/00/414432900.db2.gz VBFVOMSOKLUHAQ-HNNXBMFYSA-N 2 2 265.401 0.930 20 0 CCADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC(=O)NCC1CC1)C2 ZINC000660656517 414432906 /nfs/dbraw/zinc/43/29/06/414432906.db2.gz VBFVOMSOKLUHAQ-HNNXBMFYSA-N 2 2 265.401 0.930 20 0 CCADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC(=O)NCC1CC1)C2 ZINC000660656517 414432912 /nfs/dbraw/zinc/43/29/12/414432912.db2.gz VBFVOMSOKLUHAQ-HNNXBMFYSA-N 2 2 265.401 0.930 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660702288 414450592 /nfs/dbraw/zinc/45/05/92/414450592.db2.gz XCXISBAZYAYVIR-ZDUSSCGKSA-N 2 2 295.387 0.662 20 0 CCADLP COCC[N@H+]1CCC[C@H]1CNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660702288 414450596 /nfs/dbraw/zinc/45/05/96/414450596.db2.gz XCXISBAZYAYVIR-ZDUSSCGKSA-N 2 2 295.387 0.662 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660702288 414450602 /nfs/dbraw/zinc/45/06/02/414450602.db2.gz XCXISBAZYAYVIR-ZDUSSCGKSA-N 2 2 295.387 0.662 20 0 CCADLP COCC[N@H+]1CCC[C@H]1CNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660702288 414450609 /nfs/dbraw/zinc/45/06/09/414450609.db2.gz XCXISBAZYAYVIR-ZDUSSCGKSA-N 2 2 295.387 0.662 20 0 CCADLP c1[nH+]cn2c1C[N@H+](CCc1nnnn1-c1ccccc1)CC2 ZINC000660576980 414397155 /nfs/dbraw/zinc/39/71/55/414397155.db2.gz CNZKAGGVIZZIBB-UHFFFAOYSA-N 2 2 295.350 0.917 20 0 CCADLP c1[nH+]cn2c1C[N@@H+](CCc1nnnn1-c1ccccc1)CC2 ZINC000660576980 414397159 /nfs/dbraw/zinc/39/71/59/414397159.db2.gz CNZKAGGVIZZIBB-UHFFFAOYSA-N 2 2 295.350 0.917 20 0 CCADLP C[N@H+](C[C@@H](O)CN1CCn2c[nH+]cc2C1)C1CC1 ZINC000660583079 414400026 /nfs/dbraw/zinc/40/00/26/414400026.db2.gz GEFAVZXGITWMSY-CYBMUJFWSA-N 2 2 250.346 0.154 20 0 CCADLP C[N@@H+](C[C@@H](O)CN1CCn2c[nH+]cc2C1)C1CC1 ZINC000660583079 414400028 /nfs/dbraw/zinc/40/00/28/414400028.db2.gz GEFAVZXGITWMSY-CYBMUJFWSA-N 2 2 250.346 0.154 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660589617 414406296 /nfs/dbraw/zinc/40/62/96/414406296.db2.gz WZDLDUKSRISUTJ-AWEZNQCLSA-N 2 2 298.431 0.443 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660589617 414406303 /nfs/dbraw/zinc/40/63/03/414406303.db2.gz WZDLDUKSRISUTJ-AWEZNQCLSA-N 2 2 298.431 0.443 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]2COC[C@@H]21 ZINC000660778429 414479725 /nfs/dbraw/zinc/47/97/25/414479725.db2.gz DJIBHNUMZXYSTP-MCIONIFRSA-N 2 2 256.390 0.798 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]2COC[C@@H]21 ZINC000660778429 414479726 /nfs/dbraw/zinc/47/97/26/414479726.db2.gz DJIBHNUMZXYSTP-MCIONIFRSA-N 2 2 256.390 0.798 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000660778429 414479731 /nfs/dbraw/zinc/47/97/31/414479731.db2.gz DJIBHNUMZXYSTP-MCIONIFRSA-N 2 2 256.390 0.798 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000660778429 414479735 /nfs/dbraw/zinc/47/97/35/414479735.db2.gz DJIBHNUMZXYSTP-MCIONIFRSA-N 2 2 256.390 0.798 20 0 CCADLP C[C@@H](NC(=O)N[C@@H](C)c1[nH+]ccn1C)[C@@H]1C[N@H+](C)CCO1 ZINC000660934270 414533380 /nfs/dbraw/zinc/53/33/80/414533380.db2.gz OLJJFNDWTPRUGN-WOPDTQHZSA-N 2 2 295.387 0.499 20 0 CCADLP C[C@@H](NC(=O)N[C@@H](C)c1[nH+]ccn1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000660934270 414533383 /nfs/dbraw/zinc/53/33/83/414533383.db2.gz OLJJFNDWTPRUGN-WOPDTQHZSA-N 2 2 295.387 0.499 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1[C@H](C)CO ZINC000661440452 414626403 /nfs/dbraw/zinc/62/64/03/414626403.db2.gz HPCWMWVRISPSPA-ILXRZTDVSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1[C@H](C)CO ZINC000661440452 414626405 /nfs/dbraw/zinc/62/64/05/414626405.db2.gz HPCWMWVRISPSPA-ILXRZTDVSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1[C@H](C)CO ZINC000661440452 414626407 /nfs/dbraw/zinc/62/64/07/414626407.db2.gz HPCWMWVRISPSPA-ILXRZTDVSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1[C@H](C)CO ZINC000661440452 414626409 /nfs/dbraw/zinc/62/64/09/414626409.db2.gz HPCWMWVRISPSPA-ILXRZTDVSA-N 2 2 288.432 0.408 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cccc(F)c1F ZINC000038031594 174025753 /nfs/dbraw/zinc/02/57/53/174025753.db2.gz HYONNWOAJWCTDZ-UHFFFAOYSA-N 2 2 283.322 0.828 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cccc(F)c1F ZINC000038031594 174025754 /nfs/dbraw/zinc/02/57/54/174025754.db2.gz HYONNWOAJWCTDZ-UHFFFAOYSA-N 2 2 283.322 0.828 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]Cc1ccnc(C)n1 ZINC000038037885 174038588 /nfs/dbraw/zinc/03/85/88/174038588.db2.gz HSIALTWWOWAPHV-CYBMUJFWSA-N 2 2 252.362 0.577 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC2(CCC2)OC[C@@H]1C ZINC000661462065 414628934 /nfs/dbraw/zinc/62/89/34/414628934.db2.gz GFGTWRAWDHILAY-STQMWFEESA-N 2 2 256.390 0.942 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC2(CCC2)OC[C@@H]1C ZINC000661462065 414628936 /nfs/dbraw/zinc/62/89/36/414628936.db2.gz GFGTWRAWDHILAY-STQMWFEESA-N 2 2 256.390 0.942 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC2(CCC2)OC[C@@H]1C ZINC000661462065 414628938 /nfs/dbraw/zinc/62/89/38/414628938.db2.gz GFGTWRAWDHILAY-STQMWFEESA-N 2 2 256.390 0.942 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC2(CCC2)OC[C@@H]1C ZINC000661462065 414628941 /nfs/dbraw/zinc/62/89/41/414628941.db2.gz GFGTWRAWDHILAY-STQMWFEESA-N 2 2 256.390 0.942 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)CC1 ZINC000661623761 414656266 /nfs/dbraw/zinc/65/62/66/414656266.db2.gz NWPYXRMQIWSWQE-BARDWOONSA-N 2 2 297.443 0.488 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)CC1 ZINC000661623761 414656269 /nfs/dbraw/zinc/65/62/69/414656269.db2.gz NWPYXRMQIWSWQE-BARDWOONSA-N 2 2 297.443 0.488 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CCF)C1 ZINC000661689916 414664253 /nfs/dbraw/zinc/66/42/53/414664253.db2.gz LSNSXPSFAWRDIY-ZIAGYGMSSA-N 2 2 276.396 0.997 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CCF)C1 ZINC000661689916 414664254 /nfs/dbraw/zinc/66/42/54/414664254.db2.gz LSNSXPSFAWRDIY-ZIAGYGMSSA-N 2 2 276.396 0.997 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](CCF)C1 ZINC000661689916 414664256 /nfs/dbraw/zinc/66/42/56/414664256.db2.gz LSNSXPSFAWRDIY-ZIAGYGMSSA-N 2 2 276.396 0.997 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](CCF)C1 ZINC000661689916 414664258 /nfs/dbraw/zinc/66/42/58/414664258.db2.gz LSNSXPSFAWRDIY-ZIAGYGMSSA-N 2 2 276.396 0.997 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)C[C@@H]1COCCO1 ZINC000661615091 414654511 /nfs/dbraw/zinc/65/45/11/414654511.db2.gz WLXILIBMEJWNOQ-QWHCGFSZSA-N 2 2 260.378 0.035 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@@H]1COCCO1 ZINC000661615091 414654513 /nfs/dbraw/zinc/65/45/13/414654513.db2.gz WLXILIBMEJWNOQ-QWHCGFSZSA-N 2 2 260.378 0.035 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)C[C@@H]1COCCO1 ZINC000661615091 414654515 /nfs/dbraw/zinc/65/45/15/414654515.db2.gz WLXILIBMEJWNOQ-QWHCGFSZSA-N 2 2 260.378 0.035 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@@H]1COCCO1 ZINC000661615091 414654516 /nfs/dbraw/zinc/65/45/16/414654516.db2.gz WLXILIBMEJWNOQ-QWHCGFSZSA-N 2 2 260.378 0.035 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+](CCn2nc3ccccn3c2=O)C1 ZINC000040600314 174350970 /nfs/dbraw/zinc/35/09/70/174350970.db2.gz IEIUNPJZOPAGRR-CYBMUJFWSA-N 2 2 289.383 0.427 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+](CCn2nc3ccccn3c2=O)C1 ZINC000040600314 174350972 /nfs/dbraw/zinc/35/09/72/174350972.db2.gz IEIUNPJZOPAGRR-CYBMUJFWSA-N 2 2 289.383 0.427 20 0 CCADLP CCc1nocc1C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000662263994 414702537 /nfs/dbraw/zinc/70/25/37/414702537.db2.gz AMGOESPGBPCFOF-ZDUSSCGKSA-N 2 2 292.383 0.633 20 0 CCADLP CCc1nocc1C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000662263994 414702538 /nfs/dbraw/zinc/70/25/38/414702538.db2.gz AMGOESPGBPCFOF-ZDUSSCGKSA-N 2 2 292.383 0.633 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000662267550 414703300 /nfs/dbraw/zinc/70/33/00/414703300.db2.gz WRJDLQWULPOILJ-AWEZNQCLSA-N 3 2 261.369 0.492 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000662267550 414703301 /nfs/dbraw/zinc/70/33/01/414703301.db2.gz WRJDLQWULPOILJ-AWEZNQCLSA-N 3 2 261.369 0.492 20 0 CCADLP Cc1cnc(CC[N@@H+](C)C[C@@H]2C[NH2+]CCO2)s1 ZINC000662279535 414704984 /nfs/dbraw/zinc/70/49/84/414704984.db2.gz UTJOVQPZTFZXET-NSHDSACASA-N 2 2 255.387 0.914 20 0 CCADLP Cc1cnc(CC[N@H+](C)C[C@@H]2C[NH2+]CCO2)s1 ZINC000662279535 414704985 /nfs/dbraw/zinc/70/49/85/414704985.db2.gz UTJOVQPZTFZXET-NSHDSACASA-N 2 2 255.387 0.914 20 0 CCADLP CC[N@H+](CCc1nccs1)C[C@@H]1C[NH2+]CCO1 ZINC000662279119 414705394 /nfs/dbraw/zinc/70/53/94/414705394.db2.gz QQPAJLYLLHAWQD-NSHDSACASA-N 2 2 255.387 0.996 20 0 CCADLP CC[N@@H+](CCc1nccs1)C[C@@H]1C[NH2+]CCO1 ZINC000662279119 414705395 /nfs/dbraw/zinc/70/53/95/414705395.db2.gz QQPAJLYLLHAWQD-NSHDSACASA-N 2 2 255.387 0.996 20 0 CCADLP Cc1noc([C@H](C)[N@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662282548 414705887 /nfs/dbraw/zinc/70/58/87/414705887.db2.gz CDGQPCLCPHDPRH-GXSJLCMTSA-N 2 2 266.345 0.892 20 0 CCADLP C[C@H]1CC2(C[N@@H+]1C[C@@H]1C[NH2+]CCO1)CC[NH2+]CC2 ZINC000662283794 414706042 /nfs/dbraw/zinc/70/60/42/414706042.db2.gz QCNAAUSPCXIKQD-STQMWFEESA-N 3 2 253.390 0.439 20 0 CCADLP C[C@H]1CC2(C[N@H+]1C[C@@H]1C[NH2+]CCO1)CC[NH2+]CC2 ZINC000662283794 414706043 /nfs/dbraw/zinc/70/60/43/414706043.db2.gz QCNAAUSPCXIKQD-STQMWFEESA-N 3 2 253.390 0.439 20 0 CCADLP CCN1CC[C@H]([N@@H+]2CC3CCC2(C[NH3+])CC3)C1=O ZINC000662284963 414706065 /nfs/dbraw/zinc/70/60/65/414706065.db2.gz SGICCPAQIFKWTI-LXVYMNJGSA-N 2 2 251.374 0.811 20 0 CCADLP CCN1CC[C@H]([N@H+]2CC3CCC2(C[NH3+])CC3)C1=O ZINC000662284963 414706066 /nfs/dbraw/zinc/70/60/66/414706066.db2.gz SGICCPAQIFKWTI-LXVYMNJGSA-N 2 2 251.374 0.811 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000662286121 414706623 /nfs/dbraw/zinc/70/66/23/414706623.db2.gz OIRDZZWWKYFLPQ-QJPTWQEYSA-N 2 2 258.387 0.181 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000662286121 414706624 /nfs/dbraw/zinc/70/66/24/414706624.db2.gz OIRDZZWWKYFLPQ-QJPTWQEYSA-N 2 2 258.387 0.181 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000662286122 414706634 /nfs/dbraw/zinc/70/66/34/414706634.db2.gz OIRDZZWWKYFLPQ-SDDRHHMPSA-N 2 2 258.387 0.181 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000662286122 414706635 /nfs/dbraw/zinc/70/66/35/414706635.db2.gz OIRDZZWWKYFLPQ-SDDRHHMPSA-N 2 2 258.387 0.181 20 0 CCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)N1CCCCCC1 ZINC000662286331 414706660 /nfs/dbraw/zinc/70/66/60/414706660.db2.gz RBCLJJCEXPGWPZ-UHFFFAOYSA-N 2 2 269.389 0.093 20 0 CCADLP [NH3+]CC[N@H+](CCCc1ccsc1)C[C@@H](O)CO ZINC000662287715 414706822 /nfs/dbraw/zinc/70/68/22/414706822.db2.gz HKDVLLGDMXRLDW-GFCCVEGCSA-N 2 2 258.387 0.295 20 0 CCADLP [NH3+]CC[N@@H+](CCCc1ccsc1)C[C@@H](O)CO ZINC000662287715 414706823 /nfs/dbraw/zinc/70/68/23/414706823.db2.gz HKDVLLGDMXRLDW-GFCCVEGCSA-N 2 2 258.387 0.295 20 0 CCADLP CCc1ccc(CC[N@H+](CC[NH3+])C[C@@H](O)CO)cc1 ZINC000662288774 414707097 /nfs/dbraw/zinc/70/70/97/414707097.db2.gz JXVWAABSTFBBQV-OAHLLOKOSA-N 2 2 266.385 0.405 20 0 CCADLP CCc1ccc(CC[N@@H+](CC[NH3+])C[C@@H](O)CO)cc1 ZINC000662288774 414707098 /nfs/dbraw/zinc/70/70/98/414707098.db2.gz JXVWAABSTFBBQV-OAHLLOKOSA-N 2 2 266.385 0.405 20 0 CCADLP Cn1c[nH+]c(CN2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000662321311 414709105 /nfs/dbraw/zinc/70/91/05/414709105.db2.gz BFGLMUOLSDHINP-CQSZACIVSA-N 2 2 266.389 0.963 20 0 CCADLP CCNC(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662317825 414709434 /nfs/dbraw/zinc/70/94/34/414709434.db2.gz UCWCPXWJEIEYKZ-GFCCVEGCSA-N 2 2 257.378 0.165 20 0 CCADLP CCNC(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662317825 414709435 /nfs/dbraw/zinc/70/94/35/414709435.db2.gz UCWCPXWJEIEYKZ-GFCCVEGCSA-N 2 2 257.378 0.165 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662152543 414693401 /nfs/dbraw/zinc/69/34/01/414693401.db2.gz VDHIESYRMQFJPN-OAHLLOKOSA-N 3 2 278.400 0.494 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662152543 414693402 /nfs/dbraw/zinc/69/34/02/414693402.db2.gz VDHIESYRMQFJPN-OAHLLOKOSA-N 3 2 278.400 0.494 20 0 CCADLP CCN(CC)C(=O)[C@H](C)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662154554 414694120 /nfs/dbraw/zinc/69/41/20/414694120.db2.gz GOOBHXUBBDHXTL-ZFWWWQNUSA-N 2 2 297.443 0.774 20 0 CCADLP CCN(CC)C(=O)[C@H](C)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662154554 414694121 /nfs/dbraw/zinc/69/41/21/414694121.db2.gz GOOBHXUBBDHXTL-ZFWWWQNUSA-N 2 2 297.443 0.774 20 0 CCADLP O[C@H]1CC[N@@H+](C2CC[NH+](CCOCC3CC3)CC2)C1 ZINC000662156615 414694217 /nfs/dbraw/zinc/69/42/17/414694217.db2.gz NAZXWOCTAUQYFJ-HNNXBMFYSA-N 2 2 268.401 0.944 20 0 CCADLP O[C@H]1CC[N@H+](C2CC[NH+](CCOCC3CC3)CC2)C1 ZINC000662156615 414694218 /nfs/dbraw/zinc/69/42/18/414694218.db2.gz NAZXWOCTAUQYFJ-HNNXBMFYSA-N 2 2 268.401 0.944 20 0 CCADLP CC(C)N1CC[C@H]([NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1=O ZINC000662154243 414694221 /nfs/dbraw/zinc/69/42/21/414694221.db2.gz GBAXGYMTWUSCQB-GJZGRUSLSA-N 2 2 295.427 0.527 20 0 CCADLP CC(C)N1CC[C@H]([NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)C1=O ZINC000662154243 414694222 /nfs/dbraw/zinc/69/42/22/414694222.db2.gz GBAXGYMTWUSCQB-GJZGRUSLSA-N 2 2 295.427 0.527 20 0 CCADLP C[C@@H]([NH3+])[C@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000662246794 414699509 /nfs/dbraw/zinc/69/95/09/414699509.db2.gz CTEJHWFZAAIBTR-MLGOLLRUSA-N 3 2 275.396 0.880 20 0 CCADLP C[C@@H]([NH3+])[C@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000662246794 414699510 /nfs/dbraw/zinc/69/95/10/414699510.db2.gz CTEJHWFZAAIBTR-MLGOLLRUSA-N 3 2 275.396 0.880 20 0 CCADLP Cc1noc([C@@H]2CCC[N@H+](C[C@@H]3C[NH2+]CCO3)C2)n1 ZINC000662252738 414699956 /nfs/dbraw/zinc/69/99/56/414699956.db2.gz NYCBLYUQZAEGTN-NEPJUHHUSA-N 2 2 266.345 0.546 20 0 CCADLP Cc1noc([C@@H]2CCC[N@@H+](C[C@@H]3C[NH2+]CCO3)C2)n1 ZINC000662252738 414699957 /nfs/dbraw/zinc/69/99/57/414699957.db2.gz NYCBLYUQZAEGTN-NEPJUHHUSA-N 2 2 266.345 0.546 20 0 CCADLP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662252778 414700115 /nfs/dbraw/zinc/70/01/15/414700115.db2.gz OTHFMYIHCDKIJU-RRFJBIMHSA-N 2 2 297.443 0.992 20 0 CCADLP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662252778 414700116 /nfs/dbraw/zinc/70/01/16/414700116.db2.gz OTHFMYIHCDKIJU-RRFJBIMHSA-N 2 2 297.443 0.992 20 0 CCADLP Cc1noc([C@H]2CCC[N@H+](C[C@@H]3C[NH2+]CCO3)C2)n1 ZINC000662252742 414700162 /nfs/dbraw/zinc/70/01/62/414700162.db2.gz NYCBLYUQZAEGTN-RYUDHWBXSA-N 2 2 266.345 0.546 20 0 CCADLP Cc1noc([C@H]2CCC[N@@H+](C[C@@H]3C[NH2+]CCO3)C2)n1 ZINC000662252742 414700163 /nfs/dbraw/zinc/70/01/63/414700163.db2.gz NYCBLYUQZAEGTN-RYUDHWBXSA-N 2 2 266.345 0.546 20 0 CCADLP c1cc([C@@H]2CCC[N@@H+](C[C@@H]3C[NH2+]CCO3)C2)n[nH]1 ZINC000662253899 414700268 /nfs/dbraw/zinc/70/02/68/414700268.db2.gz YIBWUKNDYQBAAK-NEPJUHHUSA-N 2 2 250.346 0.578 20 0 CCADLP c1cc([C@@H]2CCC[N@H+](C[C@@H]3C[NH2+]CCO3)C2)n[nH]1 ZINC000662253899 414700269 /nfs/dbraw/zinc/70/02/69/414700269.db2.gz YIBWUKNDYQBAAK-NEPJUHHUSA-N 2 2 250.346 0.578 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)N3CCO[C@@H](C[NH3+])C3)ccn12 ZINC000662766794 414775417 /nfs/dbraw/zinc/77/54/17/414775417.db2.gz MTKIQVPHUWZKGC-LBPRGKRZSA-N 2 2 274.324 0.442 20 0 CCADLP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000662428323 414717729 /nfs/dbraw/zinc/71/77/29/414717729.db2.gz IKBQTWABWSQRQW-STQMWFEESA-N 3 2 270.421 0.099 20 0 CCADLP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000662428323 414717730 /nfs/dbraw/zinc/71/77/30/414717730.db2.gz IKBQTWABWSQRQW-STQMWFEESA-N 3 2 270.421 0.099 20 0 CCADLP CC(C)OC[C@H]([NH3+])C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000662442074 414718777 /nfs/dbraw/zinc/71/87/77/414718777.db2.gz PGURSEAPNAPPKT-NEPJUHHUSA-N 2 2 280.372 0.868 20 0 CCADLP CC(C)OC[C@H]([NH3+])C(=O)NCCCNc1cccc[nH+]1 ZINC000662457907 414719985 /nfs/dbraw/zinc/71/99/85/414719985.db2.gz FOONVQMQRRWHCT-LBPRGKRZSA-N 2 2 280.372 0.752 20 0 CCADLP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000662463704 414720653 /nfs/dbraw/zinc/72/06/53/414720653.db2.gz FRMGTOFBOZVVPF-CABCVRRESA-N 2 2 298.475 0.750 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]([NH3+])COC(C)C ZINC000662474160 414721450 /nfs/dbraw/zinc/72/14/50/414721450.db2.gz TUKDMCDXUWSPBH-LBPRGKRZSA-N 2 2 282.388 0.908 20 0 CCADLP O=C(NCCn1cc[nH+]c1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662525139 414725129 /nfs/dbraw/zinc/72/51/29/414725129.db2.gz QRJIBECJYDGGSC-UHFFFAOYSA-N 2 2 289.339 0.768 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000662531611 414725902 /nfs/dbraw/zinc/72/59/02/414725902.db2.gz YVEBZOPKOUMTNA-LBPRGKRZSA-N 2 2 295.387 0.152 20 0 CCADLP C[C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1ccccn1 ZINC000662604077 414731722 /nfs/dbraw/zinc/73/17/22/414731722.db2.gz CEQIDUXQQGIZKZ-NEPJUHHUSA-N 2 2 264.373 0.580 20 0 CCADLP Cc1ccncc1CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000662627831 414734417 /nfs/dbraw/zinc/73/44/17/414734417.db2.gz HWHDBKJDWXUBPM-ZDUSSCGKSA-N 2 2 264.373 0.328 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2[NH2+]CC2(C)C)[C@@H](C)CO1 ZINC000662629613 414734639 /nfs/dbraw/zinc/73/46/39/414734639.db2.gz ANCRTCQEEFZYMO-TUAOUCFPSA-N 2 2 269.389 0.210 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2[NH2+]CC2(C)C)[C@@H](C)CO1 ZINC000662629613 414734640 /nfs/dbraw/zinc/73/46/40/414734640.db2.gz ANCRTCQEEFZYMO-TUAOUCFPSA-N 2 2 269.389 0.210 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000662633037 414735335 /nfs/dbraw/zinc/73/53/35/414735335.db2.gz XIHPRUDVZHABQW-GDBMZVCRSA-N 3 2 296.459 0.376 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000662633037 414735336 /nfs/dbraw/zinc/73/53/36/414735336.db2.gz XIHPRUDVZHABQW-GDBMZVCRSA-N 3 2 296.459 0.376 20 0 CCADLP CC(C)C[C@@H]([NH3+])C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000662633548 414735381 /nfs/dbraw/zinc/73/53/81/414735381.db2.gz MLUFSPZLMKHNTI-CYBMUJFWSA-N 3 2 272.437 0.360 20 0 CCADLP CC(C)C[C@@H]([NH3+])C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000662633548 414735382 /nfs/dbraw/zinc/73/53/82/414735382.db2.gz MLUFSPZLMKHNTI-CYBMUJFWSA-N 3 2 272.437 0.360 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000662632685 414735609 /nfs/dbraw/zinc/73/56/09/414735609.db2.gz SUDTUWTVGZFTDQ-KGLIPLIRSA-N 3 2 284.448 0.374 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000662632685 414735610 /nfs/dbraw/zinc/73/56/10/414735610.db2.gz SUDTUWTVGZFTDQ-KGLIPLIRSA-N 3 2 284.448 0.374 20 0 CCADLP [NH3+]Cc1ccc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)o1 ZINC000662656713 414737756 /nfs/dbraw/zinc/73/77/56/414737756.db2.gz SDTPOSQWBYYQDI-LLVKDONJSA-N 2 2 279.340 0.285 20 0 CCADLP CC[N@H+](CCCNC(=O)C1(O)C[NH2+]C1)c1ccccc1 ZINC000662668975 414739086 /nfs/dbraw/zinc/73/90/86/414739086.db2.gz LGWUOFZOYONAKD-UHFFFAOYSA-N 2 2 277.368 0.354 20 0 CCADLP CC[N@@H+](CCCNC(=O)C1(O)C[NH2+]C1)c1ccccc1 ZINC000662668975 414739087 /nfs/dbraw/zinc/73/90/87/414739087.db2.gz LGWUOFZOYONAKD-UHFFFAOYSA-N 2 2 277.368 0.354 20 0 CCADLP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)C1(O)C[NH2+]C1 ZINC000662675147 414739880 /nfs/dbraw/zinc/73/98/80/414739880.db2.gz JTNXDTBIWOQFLW-UHFFFAOYSA-N 2 2 290.367 0.022 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662682509 414740380 /nfs/dbraw/zinc/74/03/80/414740380.db2.gz LENGIVDIUYXYHM-SNVBAGLBSA-N 2 2 296.371 0.319 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@H]2CCO[C@H]2C[NH3+])c[nH+]1 ZINC000662680355 414740555 /nfs/dbraw/zinc/74/05/55/414740555.db2.gz VVHNOKAVOXNPBM-RYUDHWBXSA-N 2 2 278.356 0.128 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662702619 414743602 /nfs/dbraw/zinc/74/36/02/414743602.db2.gz ADFZUBSUPMLIBX-CQSZACIVSA-N 2 2 297.443 0.945 20 0 CCADLP C[C@@H](C(=O)N(CC[NH+]1CCOCC1)CC1CC1)[C@H](C)[NH3+] ZINC000662703006 414743942 /nfs/dbraw/zinc/74/39/42/414743942.db2.gz GIJDMQVXQLOIBH-OLZOCXBDSA-N 2 2 283.416 0.541 20 0 CCADLP O=C(NCC12CC(C1)C[NH2+]2)c1ccc(-n2cc[nH+]c2)nn1 ZINC000662720615 414746410 /nfs/dbraw/zinc/74/64/10/414746410.db2.gz HQKQHAOAQIPGMA-UHFFFAOYSA-N 2 2 284.323 0.144 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662784869 414793269 /nfs/dbraw/zinc/79/32/69/414793269.db2.gz DZQXSFXVWMZKGW-NSHDSACASA-N 2 2 250.346 0.767 20 0 CCADLP COCC1(NC(=O)[C@H]([NH3+])CC[NH+](C)C)CCCC1 ZINC000662847481 414838978 /nfs/dbraw/zinc/83/89/78/414838978.db2.gz FNQUKTGDZWFIIQ-LLVKDONJSA-N 2 2 257.378 0.341 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C2([NH3+])CCCCC2)[C@@H](C)CO1 ZINC000662861281 414852247 /nfs/dbraw/zinc/85/22/47/414852247.db2.gz ZIJKINPIRPUUEG-QWHCGFSZSA-N 2 2 283.416 0.873 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2([NH3+])CCCCC2)[C@@H](C)CO1 ZINC000662861281 414852251 /nfs/dbraw/zinc/85/22/51/414852251.db2.gz ZIJKINPIRPUUEG-QWHCGFSZSA-N 2 2 283.416 0.873 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCCC[NH2+]2)[C@H](C)CO1 ZINC000662860500 414853149 /nfs/dbraw/zinc/85/31/49/414853149.db2.gz SCCHEDXSVFJZDC-UPJWGTAASA-N 2 2 269.389 0.354 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCCC[NH2+]2)[C@H](C)CO1 ZINC000662860500 414853151 /nfs/dbraw/zinc/85/31/51/414853151.db2.gz SCCHEDXSVFJZDC-UPJWGTAASA-N 2 2 269.389 0.354 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000662871295 414856124 /nfs/dbraw/zinc/85/61/24/414856124.db2.gz WFUMUEPWTHJFKF-MCIONIFRSA-N 2 2 281.400 0.308 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1COc2cc(F)ccc2C1 ZINC000662876372 414861709 /nfs/dbraw/zinc/86/17/09/414861709.db2.gz XMVSDQWSWYYNAY-STQMWFEESA-N 2 2 295.358 0.524 20 0 CCADLP COc1cccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)c1C ZINC000662946316 414909488 /nfs/dbraw/zinc/90/94/88/414909488.db2.gz CGXWXKJIDPXQQT-CYBMUJFWSA-N 2 2 279.384 0.899 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000662966496 414921465 /nfs/dbraw/zinc/92/14/65/414921465.db2.gz YUMOFWJMEBOUBA-SNVBAGLBSA-N 2 2 259.313 0.605 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)C[NH2+]CCOC ZINC000662899028 414879451 /nfs/dbraw/zinc/87/94/51/414879451.db2.gz CMVSJEGBTSVEPC-JTQLQIEISA-N 2 2 254.334 0.316 20 0 CCADLP CC[NH+]1CCN(CCNc2nc[nH+]c(N)c2OC)CC1 ZINC000663398276 415056688 /nfs/dbraw/zinc/05/66/88/415056688.db2.gz OGWJIQFPVGOOHS-UHFFFAOYSA-N 2 2 280.376 0.117 20 0 CCADLP c1[nH+]c2ccccn2c1CN1CCOC2(C[NH2+]C2)C1 ZINC000663514260 415081458 /nfs/dbraw/zinc/08/14/58/415081458.db2.gz SCMMRGXDYJKQEC-UHFFFAOYSA-N 2 2 258.325 0.509 20 0 CCADLP COc1c(N)[nH+]cnc1N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000663238875 415024101 /nfs/dbraw/zinc/02/41/01/415024101.db2.gz IPWCOTOPUIDDPC-NSHDSACASA-N 2 2 277.372 0.893 20 0 CCADLP COc1c(N)nc[nH+]c1N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000663238875 415024105 /nfs/dbraw/zinc/02/41/05/415024105.db2.gz IPWCOTOPUIDDPC-NSHDSACASA-N 2 2 277.372 0.893 20 0 CCADLP CCCNC(=O)[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000663304844 415039396 /nfs/dbraw/zinc/03/93/96/415039396.db2.gz TVBPOQUNCSWYRW-JSGCOSHPSA-N 2 2 283.416 0.744 20 0 CCADLP CCCNC(=O)[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000663304846 415040502 /nfs/dbraw/zinc/04/05/02/415040502.db2.gz TVBPOQUNCSWYRW-TZMCWYRMSA-N 2 2 283.416 0.744 20 0 CCADLP [NH3+]CC1CC[NH+](Cc2nnnn2-c2ccccc2)CC1 ZINC000044514269 175189402 /nfs/dbraw/zinc/18/94/02/175189402.db2.gz PMXWNOIPMJQVKA-UHFFFAOYSA-N 2 2 272.356 0.833 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044529560 175194120 /nfs/dbraw/zinc/19/41/20/175194120.db2.gz VDWMNHRQWSXOIO-SNVBAGLBSA-N 2 2 270.377 0.281 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044529560 175194121 /nfs/dbraw/zinc/19/41/21/175194121.db2.gz VDWMNHRQWSXOIO-SNVBAGLBSA-N 2 2 270.377 0.281 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C1(C[NH3+])CCCC1 ZINC000044763714 175247921 /nfs/dbraw/zinc/24/79/21/175247921.db2.gz LTVARUCJOKAISQ-NSHDSACASA-N 2 2 250.346 0.907 20 0 CCADLP CCN(C(=O)NCC[NH+]1CCOC[C@H]1C)[C@@H]1CC[N@H+](C)C1 ZINC000663992085 415197494 /nfs/dbraw/zinc/19/74/94/415197494.db2.gz VNYNYMCTLDXGNC-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP CCN(C(=O)NCC[NH+]1CCOC[C@H]1C)[C@@H]1CC[N@@H+](C)C1 ZINC000663992085 415197501 /nfs/dbraw/zinc/19/75/01/415197501.db2.gz VNYNYMCTLDXGNC-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP CCN(C(=O)NCC[N@@H+]1CCOC[C@H]1C)[C@@H]1CC[NH+](C)C1 ZINC000663992085 415197509 /nfs/dbraw/zinc/19/75/09/415197509.db2.gz VNYNYMCTLDXGNC-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP CCN(C(=O)NCC[N@H+]1CCOC[C@H]1C)[C@@H]1CC[NH+](C)C1 ZINC000663992085 415197517 /nfs/dbraw/zinc/19/75/17/415197517.db2.gz VNYNYMCTLDXGNC-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP CCn1ccnc(NCC[N@H+](C)CCC[NH+](C)C)c1=O ZINC000664248523 415302542 /nfs/dbraw/zinc/30/25/42/415302542.db2.gz ZZZBKEOMMJVKFX-UHFFFAOYSA-N 2 2 281.404 0.559 20 0 CCADLP CCn1ccnc(NCC[N@@H+](C)CCC[NH+](C)C)c1=O ZINC000664248523 415302550 /nfs/dbraw/zinc/30/25/50/415302550.db2.gz ZZZBKEOMMJVKFX-UHFFFAOYSA-N 2 2 281.404 0.559 20 0 CCADLP CCN(C(=O)N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CC[N@@H+](C)C1 ZINC000664714299 415454023 /nfs/dbraw/zinc/45/40/23/415454023.db2.gz UYZZHOMTRLLHJI-CHWSQXEVSA-N 2 2 291.399 0.934 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC1=CCOCC1 ZINC000664987795 415506934 /nfs/dbraw/zinc/50/69/34/415506934.db2.gz IQHLTEWEJBGPDM-UHFFFAOYSA-N 2 2 298.431 0.516 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC1=CCOCC1 ZINC000664987795 415506935 /nfs/dbraw/zinc/50/69/35/415506935.db2.gz IQHLTEWEJBGPDM-UHFFFAOYSA-N 2 2 298.431 0.516 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC000665235895 415574239 /nfs/dbraw/zinc/57/42/39/415574239.db2.gz BWMCLLXTYAEGEP-DDHJBXDOSA-N 2 2 265.361 0.641 20 0 CCADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000665296780 415590561 /nfs/dbraw/zinc/59/05/61/415590561.db2.gz XQHXDLNYBSXWHC-VHSXEESVSA-N 2 2 271.386 0.593 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCCC1 ZINC000665532048 416449551 /nfs/dbraw/zinc/44/95/51/416449551.db2.gz YMBJFQVFZULOAJ-VXGBXAGGSA-N 2 2 262.357 0.736 20 0 CCADLP C[C@@H]1CCCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)[C@H]1C[NH3+] ZINC000188186096 287338565 /nfs/dbraw/zinc/33/85/65/287338565.db2.gz NGSXGNQXIBZCAC-SKDRFNHKSA-N 2 2 277.372 0.255 20 0 CCADLP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000575185038 335077287 /nfs/dbraw/zinc/07/72/87/335077287.db2.gz KYVZXVPUTVXAMW-KOLCDFICSA-N 2 2 268.386 0.601 20 0 CCADLP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000575185038 335077288 /nfs/dbraw/zinc/07/72/88/335077288.db2.gz KYVZXVPUTVXAMW-KOLCDFICSA-N 2 2 268.386 0.601 20 0 CCADLP C[C@H]1COCCN1CC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000192721452 227270945 /nfs/dbraw/zinc/27/09/45/227270945.db2.gz GCSZLDYPQUDCCL-HNNXBMFYSA-N 2 2 299.459 0.486 20 0 CCADLP C[C@H]1COCCN1CC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000192721452 227270949 /nfs/dbraw/zinc/27/09/49/227270949.db2.gz GCSZLDYPQUDCCL-HNNXBMFYSA-N 2 2 299.459 0.486 20 0 CCADLP CC[C@H](C(=O)N[C@@H](C)C[NH+]1CCOCC1)[NH+](C)C ZINC000124809980 287499926 /nfs/dbraw/zinc/49/99/26/287499926.db2.gz NRSVRKDIGNQKHO-NWDGAFQWSA-N 2 2 257.378 0.164 20 0 CCADLP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1c[nH+]cn1C ZINC000418106729 228117468 /nfs/dbraw/zinc/11/74/68/228117468.db2.gz CLONYNDLWGLTMB-NWDGAFQWSA-N 2 2 252.362 0.307 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1c[nH+]cn1C ZINC000418106729 228117470 /nfs/dbraw/zinc/11/74/70/228117470.db2.gz CLONYNDLWGLTMB-NWDGAFQWSA-N 2 2 252.362 0.307 20 0 CCADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC(=O)N(C3CC3)C2=O)C1 ZINC000044535937 544431432 /nfs/dbraw/zinc/43/14/32/544431432.db2.gz IXLIBYRPRFACCD-ZYHUDNBSSA-N 2 2 265.357 0.208 20 0 CCADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC(=O)N(C3CC3)C2=O)C1 ZINC000044535937 544431435 /nfs/dbraw/zinc/43/14/35/544431435.db2.gz IXLIBYRPRFACCD-ZYHUDNBSSA-N 2 2 265.357 0.208 20 0 CCADLP C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)[C@@H]1C[NH3+] ZINC000070176415 544450447 /nfs/dbraw/zinc/45/04/47/544450447.db2.gz OGXAVJKNCAOLMG-NWDGAFQWSA-N 2 2 250.346 0.859 20 0 CCADLP CC(C)([NH3+])CC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000084170008 544490681 /nfs/dbraw/zinc/49/06/81/544490681.db2.gz DKIFYPACZGOZRF-UHFFFAOYSA-N 2 2 276.384 0.853 20 0 CCADLP [NH3+]Cc1ccc(C(=O)NCCC[NH+]2CCOCC2)o1 ZINC000094565065 544545392 /nfs/dbraw/zinc/54/53/92/544545392.db2.gz JNQJZELAENMTQB-UHFFFAOYSA-N 2 2 267.329 0.190 20 0 CCADLP CC(C)C[C@H](C[NH3+])CC(=O)NCC[NH+]1CCOCC1 ZINC000088275859 544504859 /nfs/dbraw/zinc/50/48/59/544504859.db2.gz ZXJNCQJTCBXFOH-ZDUSSCGKSA-N 2 2 271.405 0.446 20 0 CCADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)o2)C1 ZINC000088539215 544508832 /nfs/dbraw/zinc/50/88/32/544508832.db2.gz KXENANADHJXPTI-JTQLQIEISA-N 2 2 287.385 0.358 20 0 CCADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)o2)C1 ZINC000088539215 544508836 /nfs/dbraw/zinc/50/88/36/544508836.db2.gz KXENANADHJXPTI-JTQLQIEISA-N 2 2 287.385 0.358 20 0 CCADLP C[C@@H](CO)C[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000120893200 544574764 /nfs/dbraw/zinc/57/47/64/544574764.db2.gz UPLLBBGFVNMKAJ-GFCCVEGCSA-N 2 2 252.362 0.166 20 0 CCADLP C[N@@H+]1CCC[C@@H]([NH2+]C2CCN(S(C)(=O)=O)CC2)C1 ZINC000155852243 544676951 /nfs/dbraw/zinc/67/69/51/544676951.db2.gz BGSHRRZQLKUSSB-GFCCVEGCSA-N 2 2 275.418 0.094 20 0 CCADLP C[N@H+]1CCC[C@@H]([NH2+]C2CCN(S(C)(=O)=O)CC2)C1 ZINC000155852243 544676954 /nfs/dbraw/zinc/67/69/54/544676954.db2.gz BGSHRRZQLKUSSB-GFCCVEGCSA-N 2 2 275.418 0.094 20 0 CCADLP COc1cccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)c1F ZINC000166042485 544723106 /nfs/dbraw/zinc/72/31/06/544723106.db2.gz IWMANKZHCTVTLE-UHFFFAOYSA-N 2 2 295.358 0.698 20 0 CCADLP COc1cccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c1F ZINC000166042485 544723112 /nfs/dbraw/zinc/72/31/12/544723112.db2.gz IWMANKZHCTVTLE-UHFFFAOYSA-N 2 2 295.358 0.698 20 0 CCADLP Cc1ccc2[nH+]c(Cn3cc(CC[NH3+])nn3)cn2c1 ZINC000158234016 544689568 /nfs/dbraw/zinc/68/95/68/544689568.db2.gz AADAPVSICHWWJQ-UHFFFAOYSA-N 2 2 256.313 0.784 20 0 CCADLP COCC[N@H+](C)CCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000488354978 420306114 /nfs/dbraw/zinc/30/61/14/420306114.db2.gz KQFUZPABKOVGAN-UHFFFAOYSA-N 2 2 268.365 0.236 20 0 CCADLP COCC[N@@H+](C)CCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000488354978 420306115 /nfs/dbraw/zinc/30/61/15/420306115.db2.gz KQFUZPABKOVGAN-UHFFFAOYSA-N 2 2 268.365 0.236 20 0 CCADLP C[C@H]1C[NH+](C/C=C/C[N@@H+]2CCO[C@@H](C)C2)CCO1 ZINC000249738463 544920425 /nfs/dbraw/zinc/92/04/25/544920425.db2.gz XBHHNCYVHWZQOA-NVFZZLLCSA-N 2 2 254.374 0.984 20 0 CCADLP C[C@H]1C[NH+](C/C=C/C[N@H+]2CCO[C@@H](C)C2)CCO1 ZINC000249738463 544920429 /nfs/dbraw/zinc/92/04/29/544920429.db2.gz XBHHNCYVHWZQOA-NVFZZLLCSA-N 2 2 254.374 0.984 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000280046675 544957240 /nfs/dbraw/zinc/95/72/40/544957240.db2.gz VXYSHDRCYMEVJQ-MFKMUULPSA-N 2 2 262.357 0.941 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000280046675 544957243 /nfs/dbraw/zinc/95/72/43/544957243.db2.gz VXYSHDRCYMEVJQ-MFKMUULPSA-N 2 2 262.357 0.941 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000280046675 544957245 /nfs/dbraw/zinc/95/72/45/544957245.db2.gz VXYSHDRCYMEVJQ-MFKMUULPSA-N 2 2 262.357 0.941 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000280046675 544957247 /nfs/dbraw/zinc/95/72/47/544957247.db2.gz VXYSHDRCYMEVJQ-MFKMUULPSA-N 2 2 262.357 0.941 20 0 CCADLP Cn1c[nH+]cc1C[NH2+][C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000290712307 544970283 /nfs/dbraw/zinc/97/02/83/544970283.db2.gz XOFFHHOEPNRVHB-ZDUSSCGKSA-N 2 2 276.315 0.745 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)CN2CC[N@H+](C)CC2(C)C)C[C@@H](C)O1 ZINC000347603025 545062950 /nfs/dbraw/zinc/06/29/50/545062950.db2.gz XTTVUSPAUDJMCF-RBSFLKMASA-N 2 2 299.459 0.483 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)CN2CC[N@@H+](C)CC2(C)C)C[C@@H](C)O1 ZINC000347603025 545062951 /nfs/dbraw/zinc/06/29/51/545062951.db2.gz XTTVUSPAUDJMCF-RBSFLKMASA-N 2 2 299.459 0.483 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN2C[C@H](C)[N@H+](C)C[C@H]2C)C[C@@H](C)O1 ZINC000351943734 545068799 /nfs/dbraw/zinc/06/87/99/545068799.db2.gz HYYKJJAHVQJTGN-GCSSGZNBSA-N 2 2 299.459 0.481 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN2C[C@H](C)[N@@H+](C)C[C@H]2C)C[C@@H](C)O1 ZINC000351943734 545068800 /nfs/dbraw/zinc/06/88/00/545068800.db2.gz HYYKJJAHVQJTGN-GCSSGZNBSA-N 2 2 299.459 0.481 20 0 CCADLP C[C@@H]1C[N@H+](Cc2cncnc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000354018721 545072271 /nfs/dbraw/zinc/07/22/71/545072271.db2.gz RTDVBSLBMIOHON-GDBMZVCRSA-N 2 2 289.427 0.934 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2cncnc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000354018721 545072272 /nfs/dbraw/zinc/07/22/72/545072272.db2.gz RTDVBSLBMIOHON-GDBMZVCRSA-N 2 2 289.427 0.934 20 0 CCADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334229475 545046049 /nfs/dbraw/zinc/04/60/49/545046049.db2.gz IHNKLJQJPHHATN-CMPLNLGQSA-N 2 2 273.327 0.586 20 0 CCADLP CC[NH+](CC)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338190588 545052416 /nfs/dbraw/zinc/05/24/16/545052416.db2.gz DOZNFPDSLRJYFW-CYBMUJFWSA-N 2 2 285.432 0.944 20 0 CCADLP Cn1c[nH+]c2cc(NC[C@@H](O)C[NH+]3CCOCC3)ccc21 ZINC000521030815 262193789 /nfs/dbraw/zinc/19/37/89/262193789.db2.gz CAWJKSRQYYTANZ-CYBMUJFWSA-N 2 2 290.367 0.678 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCN(CC(F)(F)F)C1 ZINC000521423721 262326226 /nfs/dbraw/zinc/32/62/26/262326226.db2.gz KMKYPNYQGMRGQO-GRYCIOLGSA-N 2 2 295.349 0.980 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000519104398 265321272 /nfs/dbraw/zinc/32/12/72/265321272.db2.gz QFBZRHHKBRELMO-CQSZACIVSA-N 2 2 298.431 0.348 20 0 CCADLP CC(C)[N@H+]1CC[C@H](CNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000519104398 265321273 /nfs/dbraw/zinc/32/12/73/265321273.db2.gz QFBZRHHKBRELMO-CQSZACIVSA-N 2 2 298.431 0.348 20 0 CCADLP CCOC[C@@H](O)C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000519637224 265509109 /nfs/dbraw/zinc/50/91/09/265509109.db2.gz OLIKAWNOMGGBJP-LBPRGKRZSA-N 2 2 253.346 0.706 20 0 CCADLP c1cc2c(nc[nH+]c2N2CC[NH+]([C@@H]3CCOC3)CC2)[nH]1 ZINC000366854462 275065124 /nfs/dbraw/zinc/06/51/24/275065124.db2.gz PROHXHRBLKDZOR-LLVKDONJSA-N 2 2 273.340 0.869 20 0 CCADLP CC(C)C[NH+]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263050906 275576098 /nfs/dbraw/zinc/57/60/98/275576098.db2.gz UMQZVKUYVAGDGN-NSHDSACASA-N 2 2 275.343 0.784 20 0 CCADLP CC(C)C[NH+]1CCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000037821670 275890483 /nfs/dbraw/zinc/89/04/83/275890483.db2.gz NRCUZTXCQSIXPA-LLVKDONJSA-N 2 2 257.403 0.449 20 0 CCADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCCC2)C1 ZINC000177839124 276074200 /nfs/dbraw/zinc/07/42/00/276074200.db2.gz KRMXAHSXAAGTRZ-CYBMUJFWSA-N 2 2 253.390 0.882 20 0 CCADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCCC2)C1 ZINC000177839124 276074202 /nfs/dbraw/zinc/07/42/02/276074202.db2.gz KRMXAHSXAAGTRZ-CYBMUJFWSA-N 2 2 253.390 0.882 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC000177839124 276074204 /nfs/dbraw/zinc/07/42/04/276074204.db2.gz KRMXAHSXAAGTRZ-CYBMUJFWSA-N 2 2 253.390 0.882 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000177839124 276074205 /nfs/dbraw/zinc/07/42/05/276074205.db2.gz KRMXAHSXAAGTRZ-CYBMUJFWSA-N 2 2 253.390 0.882 20 0 CCADLP CC[NH+]1CCN(Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000425329164 276196952 /nfs/dbraw/zinc/19/69/52/276196952.db2.gz VKVWSMWMNDDYTK-UHFFFAOYSA-N 2 2 251.378 0.624 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCn3c(C)c(C)[nH+]c3C2)C1 ZINC000375875788 276209073 /nfs/dbraw/zinc/20/90/73/276209073.db2.gz DPNBMVYHLLGCNH-ZDUSSCGKSA-N 2 2 292.383 0.563 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2CCn3c(C)c(C)[nH+]c3C2)C1 ZINC000375875788 276209074 /nfs/dbraw/zinc/20/90/74/276209074.db2.gz DPNBMVYHLLGCNH-ZDUSSCGKSA-N 2 2 292.383 0.563 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCN2CCSCC2)C1 ZINC000347756390 276251817 /nfs/dbraw/zinc/25/18/17/276251817.db2.gz ULFNGPYPJUQKAX-QWHCGFSZSA-N 2 2 257.447 0.965 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCN2CCSCC2)C1 ZINC000347756390 276251818 /nfs/dbraw/zinc/25/18/18/276251818.db2.gz ULFNGPYPJUQKAX-QWHCGFSZSA-N 2 2 257.447 0.965 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCC1CC[NH2+]CC1 ZINC000381180492 545084617 /nfs/dbraw/zinc/08/46/17/545084617.db2.gz QXKRBMNJAQVVHX-UHFFFAOYSA-N 2 2 250.346 0.779 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCCO3)C2)CC1 ZINC000372092846 277028731 /nfs/dbraw/zinc/02/87/31/277028731.db2.gz YLHYCEPGBGAHTH-ZFWWWQNUSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CCCCO3)C2)CC1 ZINC000372092846 277028732 /nfs/dbraw/zinc/02/87/32/277028732.db2.gz YLHYCEPGBGAHTH-ZFWWWQNUSA-N 2 2 295.427 0.840 20 0 CCADLP C[N@@H+]1CCC[C@]2(CC[NH+]([C@@H]3CCCNC3=O)C2)C1 ZINC000334324002 277087010 /nfs/dbraw/zinc/08/70/10/277087010.db2.gz KBYLYRFPLJNYPO-OCCSQVGLSA-N 2 2 251.374 0.683 20 0 CCADLP C[N@H+]1CCC[C@]2(CC[NH+]([C@@H]3CCCNC3=O)C2)C1 ZINC000334324002 277087011 /nfs/dbraw/zinc/08/70/11/277087011.db2.gz KBYLYRFPLJNYPO-OCCSQVGLSA-N 2 2 251.374 0.683 20 0 CCADLP C[NH+]1CCC[C@]2(CC[N@@H+]([C@@H]3CCCNC3=O)C2)C1 ZINC000334324002 277087012 /nfs/dbraw/zinc/08/70/12/277087012.db2.gz KBYLYRFPLJNYPO-OCCSQVGLSA-N 2 2 251.374 0.683 20 0 CCADLP C[NH+]1CCC[C@]2(CC[N@H+]([C@@H]3CCCNC3=O)C2)C1 ZINC000334324002 277087013 /nfs/dbraw/zinc/08/70/13/277087013.db2.gz KBYLYRFPLJNYPO-OCCSQVGLSA-N 2 2 251.374 0.683 20 0 CCADLP COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346988541 277107520 /nfs/dbraw/zinc/10/75/20/277107520.db2.gz RFWJKCDYMXANOE-WOPDTQHZSA-N 2 2 256.346 0.248 20 0 CCADLP COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000346988541 277107521 /nfs/dbraw/zinc/10/75/21/277107521.db2.gz RFWJKCDYMXANOE-WOPDTQHZSA-N 2 2 256.346 0.248 20 0 CCADLP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(=O)[nH]n1 ZINC000353462377 277211742 /nfs/dbraw/zinc/21/17/42/277211742.db2.gz JCZHUZWUJFNFGW-LLVKDONJSA-N 2 2 268.361 0.801 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(=O)[nH]n1 ZINC000353462377 277211744 /nfs/dbraw/zinc/21/17/44/277211744.db2.gz JCZHUZWUJFNFGW-LLVKDONJSA-N 2 2 268.361 0.801 20 0 CCADLP CNC(=O)CC[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000340103042 277226834 /nfs/dbraw/zinc/22/68/34/277226834.db2.gz CALDLCSDJHEUCQ-UHFFFAOYSA-N 2 2 262.357 0.648 20 0 CCADLP COC(=O)C[C@@]1([NH2+]Cc2c[nH+]c(N(C)C)n2C)CCOC1 ZINC000425335523 277327840 /nfs/dbraw/zinc/32/78/40/277327840.db2.gz IEABIIBYCBCRDY-AWEZNQCLSA-N 2 2 296.371 0.298 20 0 CCADLP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423255708 277720471 /nfs/dbraw/zinc/72/04/71/277720471.db2.gz ANZDEPXVZAFGHD-AEGPPILISA-N 3 2 267.417 0.733 20 0 CCADLP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH+]1CCOCC1)[NH+](C)C ZINC000106431949 277725485 /nfs/dbraw/zinc/72/54/85/277725485.db2.gz IBNDUWZTFSIVCB-STQMWFEESA-N 2 2 271.405 0.410 20 0 CCADLP C1CC1[C@@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@@H]1C[NH2+]CCO1 ZINC000423539858 277757548 /nfs/dbraw/zinc/75/75/48/277757548.db2.gz CDEGIHXDFOBUHC-ARKGTOAJSA-N 3 2 279.428 0.731 20 0 CCADLP C[C@H](C(=O)N(C)C)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000116399892 278133890 /nfs/dbraw/zinc/13/38/90/278133890.db2.gz CBMDAVRBYXWUQO-CABCVRRESA-N 2 2 296.459 0.565 20 0 CCADLP C[C@H](C(=O)N(C)C)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000116399892 278133891 /nfs/dbraw/zinc/13/38/91/278133891.db2.gz CBMDAVRBYXWUQO-CABCVRRESA-N 2 2 296.459 0.565 20 0 CCADLP C[C@@H](Cn1cncn1)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425360661 278302106 /nfs/dbraw/zinc/30/21/06/278302106.db2.gz SPQUFJDBSPKKRW-JTQLQIEISA-N 2 2 263.349 0.256 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000358386491 288079275 /nfs/dbraw/zinc/07/92/75/288079275.db2.gz AQQOHKGEXOJWIR-VXGBXAGGSA-N 2 2 274.430 0.741 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000358386491 288079278 /nfs/dbraw/zinc/07/92/78/288079278.db2.gz AQQOHKGEXOJWIR-VXGBXAGGSA-N 2 2 274.430 0.741 20 0 CCADLP Cc1cn2cc(NC(=O)[C@H]3[NH2+]CCO[C@@H]3C)ccc2[nH+]1 ZINC000262277546 279005818 /nfs/dbraw/zinc/00/58/18/279005818.db2.gz NNCYLHHDEKPKOO-MFKMUULPSA-N 2 2 274.324 0.958 20 0 CCADLP C[C@@H]1[NH2+]CCN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)[C@H]1C ZINC000333796255 279036306 /nfs/dbraw/zinc/03/63/06/279036306.db2.gz NHOHNZGWKJSDSK-DCAQKATOSA-N 2 2 277.372 0.659 20 0 CCADLP C[C@@H]1[NH2+]CCN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)[C@H]1C ZINC000333796255 279036310 /nfs/dbraw/zinc/03/63/10/279036310.db2.gz NHOHNZGWKJSDSK-DCAQKATOSA-N 2 2 277.372 0.659 20 0 CCADLP CC[NH+](CC)CCNC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000171695027 279106472 /nfs/dbraw/zinc/10/64/72/279106472.db2.gz SUTONNXHQLFOBA-AWEZNQCLSA-N 2 2 299.463 0.263 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@]1(O)CC[NH+](C)C1 ZINC000358250866 288107225 /nfs/dbraw/zinc/10/72/25/288107225.db2.gz LPRUMUVWTCQPRR-AAVRWANBSA-N 3 2 255.406 0.371 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@]1(O)CC[NH+](C)C1 ZINC000358250866 288107226 /nfs/dbraw/zinc/10/72/26/288107226.db2.gz LPRUMUVWTCQPRR-AAVRWANBSA-N 3 2 255.406 0.371 20 0 CCADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358250866 288107227 /nfs/dbraw/zinc/10/72/27/288107227.db2.gz LPRUMUVWTCQPRR-AAVRWANBSA-N 3 2 255.406 0.371 20 0 CCADLP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358250866 288107228 /nfs/dbraw/zinc/10/72/28/288107228.db2.gz LPRUMUVWTCQPRR-AAVRWANBSA-N 3 2 255.406 0.371 20 0 CCADLP C[C@H](CC(=O)N(C)C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000367998533 279244484 /nfs/dbraw/zinc/24/44/84/279244484.db2.gz UFGGYTMXRFPCIK-ZJUUUORDSA-N 2 2 250.346 0.723 20 0 CCADLP C[C@H](CC(=O)N(C)C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000367998533 279244485 /nfs/dbraw/zinc/24/44/85/279244485.db2.gz UFGGYTMXRFPCIK-ZJUUUORDSA-N 2 2 250.346 0.723 20 0 CCADLP C[C@H](CCCC[NH3+])[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423423761 279255085 /nfs/dbraw/zinc/25/50/85/279255085.db2.gz FCJALLFTKBDEQR-MRVWCRGKSA-N 3 2 255.406 0.861 20 0 CCADLP CC(C)N(C(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1)C(C)C ZINC000313389075 279278285 /nfs/dbraw/zinc/27/82/85/279278285.db2.gz MIJLCVKGXIEGJR-CYBMUJFWSA-N 2 2 271.405 0.681 20 0 CCADLP CC(C)N(C(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1)C(C)C ZINC000313389075 279278286 /nfs/dbraw/zinc/27/82/86/279278286.db2.gz MIJLCVKGXIEGJR-CYBMUJFWSA-N 2 2 271.405 0.681 20 0 CCADLP C[C@H](CNC(N)=[NH2+])[NH+]1CCN(c2ccccc2)CC1 ZINC000263939527 279323707 /nfs/dbraw/zinc/32/37/07/279323707.db2.gz CUQYSOTXBMLQFE-GFCCVEGCSA-N 2 2 261.373 0.680 20 0 CCADLP CCN1CC[NH+](CCC(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000352011668 279355456 /nfs/dbraw/zinc/35/54/56/279355456.db2.gz CFNIYTJIRPXTDE-GJZGRUSLSA-N 2 2 296.459 0.565 20 0 CCADLP CCN1CC[NH+](CCC(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000352011668 279355457 /nfs/dbraw/zinc/35/54/57/279355457.db2.gz CFNIYTJIRPXTDE-GJZGRUSLSA-N 2 2 296.459 0.565 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000163292057 280005253 /nfs/dbraw/zinc/00/52/53/280005253.db2.gz VDIVJHMZXKEWCY-QJPTWQEYSA-N 2 2 262.419 0.882 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000163292057 280005254 /nfs/dbraw/zinc/00/52/54/280005254.db2.gz VDIVJHMZXKEWCY-QJPTWQEYSA-N 2 2 262.419 0.882 20 0 CCADLP CC[C@H]1CCCCN1C(=O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000336794260 288189886 /nfs/dbraw/zinc/18/98/86/288189886.db2.gz ARKCHJYRYJFIQT-RYUDHWBXSA-N 2 2 257.378 0.029 20 0 CCADLP CC[C@H]1CCCCN1C(=O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000336794260 288189887 /nfs/dbraw/zinc/18/98/87/288189887.db2.gz ARKCHJYRYJFIQT-RYUDHWBXSA-N 2 2 257.378 0.029 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000353466666 280070328 /nfs/dbraw/zinc/07/03/28/280070328.db2.gz IMQYMCQMZRUXTK-XGUBFFRZSA-N 2 2 297.443 0.846 20 0 CCADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCCn1cc[nH+]c1 ZINC000416850606 280279186 /nfs/dbraw/zinc/27/91/86/280279186.db2.gz KEJAARNTCQOEDK-GFCCVEGCSA-N 2 2 267.377 0.898 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)NCC(F)(F)F ZINC000123722710 280281825 /nfs/dbraw/zinc/28/18/25/280281825.db2.gz KWMFONRCNJZAQH-SECBINFHSA-N 2 2 269.311 0.970 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)NCC(F)(F)F ZINC000123722710 280281828 /nfs/dbraw/zinc/28/18/28/280281828.db2.gz KWMFONRCNJZAQH-SECBINFHSA-N 2 2 269.311 0.970 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CSC ZINC000386279485 336170056 /nfs/dbraw/zinc/17/00/56/336170056.db2.gz ZHYCNRPVHCANJK-OLZOCXBDSA-N 2 2 276.446 0.753 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1CSC ZINC000386279485 336170057 /nfs/dbraw/zinc/17/00/57/336170057.db2.gz ZHYCNRPVHCANJK-OLZOCXBDSA-N 2 2 276.446 0.753 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1CSC ZINC000386279485 336170059 /nfs/dbraw/zinc/17/00/59/336170059.db2.gz ZHYCNRPVHCANJK-OLZOCXBDSA-N 2 2 276.446 0.753 20 0 CCADLP Cn1ccc(N2CCC[C@@H]([N@@H+]3CC[C@@](C)(C[NH3+])C3)C2=O)n1 ZINC000261702962 294347145 /nfs/dbraw/zinc/34/71/45/294347145.db2.gz LTCNNVFXDVUGPP-DOMZBBRYSA-N 2 2 291.399 0.586 20 0 CCADLP Cn1ccc(N2CCC[C@@H]([N@H+]3CC[C@@](C)(C[NH3+])C3)C2=O)n1 ZINC000261702962 294347151 /nfs/dbraw/zinc/34/71/51/294347151.db2.gz LTCNNVFXDVUGPP-DOMZBBRYSA-N 2 2 291.399 0.586 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422884931 295111786 /nfs/dbraw/zinc/11/17/86/295111786.db2.gz GAPSBAWIBGCEET-IHRRRGAJSA-N 3 2 282.432 0.576 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422884931 295111788 /nfs/dbraw/zinc/11/17/88/295111788.db2.gz GAPSBAWIBGCEET-IHRRRGAJSA-N 3 2 282.432 0.576 20 0 CCADLP NC(=O)[C@H](c1ccccc1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352494852 295143732 /nfs/dbraw/zinc/14/37/32/295143732.db2.gz GEVGIVQLKIHCCA-GJZGRUSLSA-N 2 2 288.395 0.193 20 0 CCADLP CSC[C@@](C)(O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000230145724 295616515 /nfs/dbraw/zinc/61/65/15/295616515.db2.gz PSGHKACUMNKZOJ-LBPRGKRZSA-N 2 2 272.418 0.690 20 0 CCADLP O=C(NCC[NH+]1CCOCC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333114521 295648386 /nfs/dbraw/zinc/64/83/86/295648386.db2.gz FPJAPXFAQDDYNB-OAHLLOKOSA-N 2 2 296.415 0.104 20 0 CCADLP C[C@@H]1COCC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000354123977 297139263 /nfs/dbraw/zinc/13/92/63/297139263.db2.gz FHSLEYRTTRQYSS-QLFBSQMISA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]1COCC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000354123977 297139266 /nfs/dbraw/zinc/13/92/66/297139266.db2.gz FHSLEYRTTRQYSS-QLFBSQMISA-N 2 2 297.443 0.944 20 0 CCADLP [NH3+]C1(CC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000398079622 545088908 /nfs/dbraw/zinc/08/89/08/545088908.db2.gz NEUGDDMRKNKXJL-UHFFFAOYSA-N 2 2 260.341 0.612 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000388773898 545086466 /nfs/dbraw/zinc/08/64/66/545086466.db2.gz PMCKERPFYFHQDD-MNOVXSKESA-N 2 2 284.322 0.687 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000388773898 545086467 /nfs/dbraw/zinc/08/64/67/545086467.db2.gz PMCKERPFYFHQDD-MNOVXSKESA-N 2 2 284.322 0.687 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000388773898 545086468 /nfs/dbraw/zinc/08/64/68/545086468.db2.gz PMCKERPFYFHQDD-MNOVXSKESA-N 2 2 284.322 0.687 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000388773898 545086469 /nfs/dbraw/zinc/08/64/69/545086469.db2.gz PMCKERPFYFHQDD-MNOVXSKESA-N 2 2 284.322 0.687 20 0 CCADLP C[C@H](C(=O)N(C)C1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000348072757 297978163 /nfs/dbraw/zinc/97/81/63/297978163.db2.gz MPKKROFIVVXDNB-GFCCVEGCSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]([NH3+])C(C)(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000178861323 300160963 /nfs/dbraw/zinc/16/09/63/300160963.db2.gz HDTAVPOLTNRSDU-RWMBFGLXSA-N 2 2 283.416 0.539 20 0 CCADLP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000517567152 303365777 /nfs/dbraw/zinc/36/57/77/303365777.db2.gz BOWLILKQAJEKIQ-MJBXVCDLSA-N 3 2 280.416 0.010 20 0 CCADLP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000517567152 303365780 /nfs/dbraw/zinc/36/57/80/303365780.db2.gz BOWLILKQAJEKIQ-MJBXVCDLSA-N 3 2 280.416 0.010 20 0 CCADLP [NH3+]CCCC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000237930400 303374275 /nfs/dbraw/zinc/37/42/75/303374275.db2.gz LIEWVKDYKQEISI-HNNXBMFYSA-N 2 2 291.395 0.915 20 0 CCADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC000352520298 303389433 /nfs/dbraw/zinc/38/94/33/303389433.db2.gz XCDPGZOALUVBNP-GFCCVEGCSA-N 2 2 275.356 0.726 20 0 CCADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cc(=O)n2[nH]ccc2n1 ZINC000352520298 303389434 /nfs/dbraw/zinc/38/94/34/303389434.db2.gz XCDPGZOALUVBNP-GFCCVEGCSA-N 2 2 275.356 0.726 20 0 CCADLP CCn1cc(C[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)nn1 ZINC000404412175 545091195 /nfs/dbraw/zinc/09/11/95/545091195.db2.gz KAXHOPUXISFHOV-GHMZBOCLSA-N 2 2 253.350 0.155 20 0 CCADLP Cc1c[nH+]c(C)nc1NCC[NH+]1CCSCC1 ZINC000582072788 327832677 /nfs/dbraw/zinc/83/26/77/327832677.db2.gz ISJOCAGFSNOLQF-UHFFFAOYSA-N 2 2 252.387 0.976 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000565723931 327000139 /nfs/dbraw/zinc/00/01/39/327000139.db2.gz AHPXTWHOKZPVEU-UHFFFAOYSA-N 2 2 276.344 0.440 20 0 CCADLP C[C@](O)(C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000584239323 327102768 /nfs/dbraw/zinc/10/27/68/327102768.db2.gz UCCSMKYHHZSDGP-IHRRRGAJSA-N 2 2 254.374 0.504 20 0 CCADLP CC(C)COC[C@@H](O)C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000573206801 327125359 /nfs/dbraw/zinc/12/53/59/327125359.db2.gz OLWLMVUQRGVHLY-CABCVRRESA-N 2 2 288.432 0.456 20 0 CCADLP CC(C)COC[C@@H](O)C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000573206801 327125361 /nfs/dbraw/zinc/12/53/61/327125361.db2.gz OLWLMVUQRGVHLY-CABCVRRESA-N 2 2 288.432 0.456 20 0 CCADLP [NH3+]C1CCC(OCC(=O)NCCCn2cc[nH+]c2)CC1 ZINC000566146688 327147940 /nfs/dbraw/zinc/14/79/40/327147940.db2.gz GSXVXFRWBFEZTI-UHFFFAOYSA-N 2 2 280.372 0.676 20 0 CCADLP Cc1cc(C[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccn1 ZINC000583376806 327333554 /nfs/dbraw/zinc/33/35/54/327333554.db2.gz GXOKDEXNOTUVPS-LZWOXQAQSA-N 2 2 293.411 0.950 20 0 CCADLP Cc1cc(C[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccn1 ZINC000583376806 327333556 /nfs/dbraw/zinc/33/35/56/327333556.db2.gz GXOKDEXNOTUVPS-LZWOXQAQSA-N 2 2 293.411 0.950 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000583383582 327336001 /nfs/dbraw/zinc/33/60/01/327336001.db2.gz LKSBASLCWZUMFN-OLZOCXBDSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000583383582 327336003 /nfs/dbraw/zinc/33/60/03/327336003.db2.gz LKSBASLCWZUMFN-OLZOCXBDSA-N 2 2 283.416 0.602 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(c2ccccc2OC)CC1 ZINC000584356030 328737569 /nfs/dbraw/zinc/73/75/69/328737569.db2.gz WGNZEZQFNHOCDN-MRXNPFEDSA-N 2 2 293.411 0.788 20 0 CCADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000582485064 329096187 /nfs/dbraw/zinc/09/61/87/329096187.db2.gz BXKJKORNDFRLKB-NEPJUHHUSA-N 2 2 294.403 0.363 20 0 CCADLP C[C@H](C(=O)NCC[N@@H+]1CCO[C@H](C)C1)[NH+]1CC(C)C1 ZINC000584359447 329104210 /nfs/dbraw/zinc/10/42/10/329104210.db2.gz CHTNDHKZJJTFOF-CHWSQXEVSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@H](C(=O)NCC[N@H+]1CCO[C@H](C)C1)[NH+]1CC(C)C1 ZINC000584359447 329104211 /nfs/dbraw/zinc/10/42/11/329104211.db2.gz CHTNDHKZJJTFOF-CHWSQXEVSA-N 2 2 269.389 0.164 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)[C@@H]2CC[NH+](C)C2)CCO1 ZINC000582801437 329217765 /nfs/dbraw/zinc/21/77/65/329217765.db2.gz UPNBMBNCHUWDRO-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CC[NH+](C)C2)CCO1 ZINC000582801437 329217767 /nfs/dbraw/zinc/21/77/67/329217767.db2.gz UPNBMBNCHUWDRO-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP CC[C@H]1C[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC000582801437 329217768 /nfs/dbraw/zinc/21/77/68/329217768.db2.gz UPNBMBNCHUWDRO-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP CC[C@H]1C[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC000582801437 329217770 /nfs/dbraw/zinc/21/77/70/329217770.db2.gz UPNBMBNCHUWDRO-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@]2(C)CCC[NH2+]2)c[nH+]1 ZINC000583086846 329307578 /nfs/dbraw/zinc/30/75/78/329307578.db2.gz XMONZRWNXAHRSA-AWEZNQCLSA-N 2 2 262.357 0.906 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCc2cc[nH]c(=O)c2C1 ZINC000583092766 329314786 /nfs/dbraw/zinc/31/47/86/329314786.db2.gz ZCANYWYLHRZODL-CYBMUJFWSA-N 2 2 295.383 0.084 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCc2cc[nH]c(=O)c2C1 ZINC000583092766 329314787 /nfs/dbraw/zinc/31/47/87/329314787.db2.gz ZCANYWYLHRZODL-CYBMUJFWSA-N 2 2 295.383 0.084 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000583092766 329314788 /nfs/dbraw/zinc/31/47/88/329314788.db2.gz ZCANYWYLHRZODL-CYBMUJFWSA-N 2 2 295.383 0.084 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000583092766 329314789 /nfs/dbraw/zinc/31/47/89/329314789.db2.gz ZCANYWYLHRZODL-CYBMUJFWSA-N 2 2 295.383 0.084 20 0 CCADLP COc1c(N)[nH+]cnc1NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000583154089 329323870 /nfs/dbraw/zinc/32/38/70/329323870.db2.gz XPIGYMJXDBWROB-PHIMTYICSA-N 2 2 295.387 0.401 20 0 CCADLP COc1c(N)[nH+]cnc1NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000583154089 329323871 /nfs/dbraw/zinc/32/38/71/329323871.db2.gz XPIGYMJXDBWROB-PHIMTYICSA-N 2 2 295.387 0.401 20 0 CCADLP COc1c(N)nc[nH+]c1NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000583154089 329323872 /nfs/dbraw/zinc/32/38/72/329323872.db2.gz XPIGYMJXDBWROB-PHIMTYICSA-N 2 2 295.387 0.401 20 0 CCADLP COc1c(N)nc[nH+]c1NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000583154089 329323874 /nfs/dbraw/zinc/32/38/74/329323874.db2.gz XPIGYMJXDBWROB-PHIMTYICSA-N 2 2 295.387 0.401 20 0 CCADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000584528997 329513328 /nfs/dbraw/zinc/51/33/28/329513328.db2.gz JRHXVCITLIHJOZ-QLPKVWCKSA-N 2 2 296.374 0.808 20 0 CCADLP COC(=O)CN(C)C(=O)CC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000580461853 330142014 /nfs/dbraw/zinc/14/20/14/330142014.db2.gz ICYQFFUTMQVRIP-QWHCGFSZSA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)CN(C)C(=O)CC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000580461853 330142016 /nfs/dbraw/zinc/14/20/16/330142016.db2.gz ICYQFFUTMQVRIP-QWHCGFSZSA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)CN(C)C(=O)CC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000580461853 330142017 /nfs/dbraw/zinc/14/20/17/330142017.db2.gz ICYQFFUTMQVRIP-QWHCGFSZSA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)CN(C)C(=O)CC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000580461853 330142019 /nfs/dbraw/zinc/14/20/19/330142019.db2.gz ICYQFFUTMQVRIP-QWHCGFSZSA-N 2 2 297.399 0.176 20 0 CCADLP CC(C)[C@]1(C)C[C@@H]1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000575354849 335097154 /nfs/dbraw/zinc/09/71/54/335097154.db2.gz KLZXCDYZFCTHQI-OBJOEFQTSA-N 2 2 268.405 0.705 20 0 CCADLP CC(C)[C@]1(C)C[C@@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000575354849 335097155 /nfs/dbraw/zinc/09/71/55/335097155.db2.gz KLZXCDYZFCTHQI-OBJOEFQTSA-N 2 2 268.405 0.705 20 0 CCADLP COCC[NH2+]C1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000575755336 335112459 /nfs/dbraw/zinc/11/24/59/335112459.db2.gz KTFJSCACPLMNDH-UHFFFAOYSA-N 2 2 283.416 0.699 20 0 CCADLP COCC(C)(C)[NH+]1CCN(C(=O)CC(F)(F)C[NH3+])CC1 ZINC000575810959 335117907 /nfs/dbraw/zinc/11/79/07/335117907.db2.gz AHNKDOBXRMACCC-UHFFFAOYSA-N 2 2 293.358 0.540 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000576701545 335236781 /nfs/dbraw/zinc/23/67/81/335236781.db2.gz GSHWBFQESPUTPP-BFHYXJOUSA-N 2 2 298.431 0.618 20 0 CCADLP CC1CC[NH+](C[C@H](O)C[NH2+]C[C@@](C)(O)C(F)(F)F)CC1 ZINC000576943965 335267615 /nfs/dbraw/zinc/26/76/15/335267615.db2.gz NNOBHVQEISMFTJ-VXGBXAGGSA-N 2 2 298.349 0.982 20 0 CCADLP C[N@H+](C[C@@H](O)CNCc1cn2ccccc2[nH+]1)C1CC1 ZINC000580543387 335270147 /nfs/dbraw/zinc/27/01/47/335270147.db2.gz DRVOMZIVLONEKG-AWEZNQCLSA-N 2 2 274.368 0.879 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000577040238 335287796 /nfs/dbraw/zinc/28/77/96/335287796.db2.gz SXEAWAHECNJMLF-OLZOCXBDSA-N 2 2 291.399 0.934 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000577040238 335287797 /nfs/dbraw/zinc/28/77/97/335287797.db2.gz SXEAWAHECNJMLF-OLZOCXBDSA-N 2 2 291.399 0.934 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]([NH3+])c1cscn1 ZINC000577060107 335292988 /nfs/dbraw/zinc/29/29/88/335292988.db2.gz HQAKICVKYQUEKN-WCBMZHEXSA-N 2 2 256.375 0.599 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N(C)[C@H]2CC[NH+]3CCO[C@H]2C3)C1 ZINC000580659070 335315083 /nfs/dbraw/zinc/31/50/83/335315083.db2.gz QCQJPMPIVXTGKD-IHRRRGAJSA-N 2 2 281.400 0.260 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CC[NH+]3CCO[C@H]2C3)C1 ZINC000580659070 335315085 /nfs/dbraw/zinc/31/50/85/335315085.db2.gz QCQJPMPIVXTGKD-IHRRRGAJSA-N 2 2 281.400 0.260 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+]3CCO[C@H]2C3)C1 ZINC000580659070 335315087 /nfs/dbraw/zinc/31/50/87/335315087.db2.gz QCQJPMPIVXTGKD-IHRRRGAJSA-N 2 2 281.400 0.260 20 0 CCADLP C[N@@H+]1CCc2ncnc(NC[C@H]3CC[NH2+]CC3(F)F)c2C1 ZINC000577209233 335322943 /nfs/dbraw/zinc/32/29/43/335322943.db2.gz AWPHACKWCGEQMJ-SNVBAGLBSA-N 2 2 297.353 0.543 20 0 CCADLP C[N@H+]1CCc2ncnc(NC[C@H]3CC[NH2+]CC3(F)F)c2C1 ZINC000577209233 335322944 /nfs/dbraw/zinc/32/29/44/335322944.db2.gz AWPHACKWCGEQMJ-SNVBAGLBSA-N 2 2 297.353 0.543 20 0 CCADLP COCC[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000347371755 335376800 /nfs/dbraw/zinc/37/68/00/335376800.db2.gz PKQYNFYEPNCNQR-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP COCC[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000347371755 335376801 /nfs/dbraw/zinc/37/68/01/335376801.db2.gz PKQYNFYEPNCNQR-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@H]2CCCN(C)C2=O)C1 ZINC000577645997 335385208 /nfs/dbraw/zinc/38/52/08/335385208.db2.gz BRLDJALUARUHCB-RYUDHWBXSA-N 2 2 262.357 0.830 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2cscn2)C[C@H](C)[NH2+]1 ZINC000577840951 335409245 /nfs/dbraw/zinc/40/92/45/335409245.db2.gz RCFQTDNNRJZYJE-XKSSXDPKSA-N 2 2 254.359 0.352 20 0 CCADLP CN1CC[NH2+]C[C@H]1CN[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000577840178 335409379 /nfs/dbraw/zinc/40/93/79/335409379.db2.gz UOZKEIHMODOFTD-GJZGRUSLSA-N 2 2 285.395 0.992 20 0 CCADLP [NH3+]C[C@H]1CCCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000581061494 336002063 /nfs/dbraw/zinc/00/20/63/336002063.db2.gz ISXIVGGPBGVWDF-GFCCVEGCSA-N 2 2 273.340 0.967 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]([NH3+])c1cscn1)Cn1cc[nH+]c1 ZINC000581133687 336013439 /nfs/dbraw/zinc/01/34/39/336013439.db2.gz HUETXRYVPWHPOD-ONGXEEELSA-N 2 2 279.369 0.792 20 0 CCADLP CN(CCC[NH+](C)C)C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000581348102 336056244 /nfs/dbraw/zinc/05/62/44/336056244.db2.gz MYKOPFDVRWUYPJ-UHFFFAOYSA-N 2 2 298.431 0.444 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000581367939 336062353 /nfs/dbraw/zinc/06/23/53/336062353.db2.gz BTLVBFZKXJMRNC-CMPLNLGQSA-N 2 2 258.325 0.949 20 0 CCADLP C(COC[C@@H]1CCCO1)[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000581423340 336074775 /nfs/dbraw/zinc/07/47/75/336074775.db2.gz BRTXIUUVNISGAJ-SOUVJXGZSA-N 2 2 284.400 0.539 20 0 CCADLP CC(C)C[C@@H](CNC(=O)[C@@H](C)[NH2+]C1CC1)[NH+]1CCOCC1 ZINC000382992415 336101256 /nfs/dbraw/zinc/10/12/56/336101256.db2.gz YVEORMSQMRTSOD-HIFRSBDPSA-N 2 2 297.443 0.990 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cccc(O)c1 ZINC000383645578 336116089 /nfs/dbraw/zinc/11/60/89/336116089.db2.gz OLRCSIOJOTXIGW-IUODEOHRSA-N 2 2 282.384 0.982 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cccc(O)c1 ZINC000383645578 336116091 /nfs/dbraw/zinc/11/60/91/336116091.db2.gz OLRCSIOJOTXIGW-IUODEOHRSA-N 2 2 282.384 0.982 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000384250351 336123020 /nfs/dbraw/zinc/12/30/20/336123020.db2.gz LXSJQHLRRVXEFE-STQMWFEESA-N 2 2 283.416 0.602 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000581743479 336141210 /nfs/dbraw/zinc/14/12/10/336141210.db2.gz XRRARYWKUXFSHA-OAHLLOKOSA-N 2 2 297.443 0.897 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000581743479 336141212 /nfs/dbraw/zinc/14/12/12/336141212.db2.gz XRRARYWKUXFSHA-OAHLLOKOSA-N 2 2 297.443 0.897 20 0 CCADLP CCOC(=O)CC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000385482593 336148728 /nfs/dbraw/zinc/14/87/28/336148728.db2.gz ZXJFVGHSKNMZSJ-NEPJUHHUSA-N 2 2 258.362 0.374 20 0 CCADLP CCOC(=O)CC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000385482593 336148727 /nfs/dbraw/zinc/14/87/27/336148727.db2.gz ZXJFVGHSKNMZSJ-NEPJUHHUSA-N 2 2 258.362 0.374 20 0 CCADLP CCOC(=O)CC[C@@H](O)C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000385668107 336153764 /nfs/dbraw/zinc/15/37/64/336153764.db2.gz LQLPHSKQIZFGIM-NWDGAFQWSA-N 2 2 269.345 0.565 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000581873932 336156049 /nfs/dbraw/zinc/15/60/49/336156049.db2.gz SVQWLGKHFXNQKY-KBPBESRZSA-N 2 2 298.431 0.396 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000581873932 336156050 /nfs/dbraw/zinc/15/60/50/336156050.db2.gz SVQWLGKHFXNQKY-KBPBESRZSA-N 2 2 298.431 0.396 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]([NH3+])c2ccccc2)CCO1 ZINC000581886829 336160213 /nfs/dbraw/zinc/16/02/13/336160213.db2.gz SYAKXTNEWRSGOR-TZMCWYRMSA-N 2 2 277.368 0.523 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]([NH3+])c2ccccc2)CCO1 ZINC000581886829 336160215 /nfs/dbraw/zinc/16/02/15/336160215.db2.gz SYAKXTNEWRSGOR-TZMCWYRMSA-N 2 2 277.368 0.523 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CSC ZINC000386279485 336170054 /nfs/dbraw/zinc/17/00/54/336170054.db2.gz ZHYCNRPVHCANJK-OLZOCXBDSA-N 2 2 276.446 0.753 20 0 CCADLP CC(C)(C)N1C[C@H]([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1=O ZINC000581937916 336172556 /nfs/dbraw/zinc/17/25/56/336172556.db2.gz DLJFYXOIBMQOMH-IPYPFGDCSA-N 2 2 295.427 0.742 20 0 CCADLP CC[N@H+](CCO)CC[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@H]1C ZINC000354639792 521120445 /nfs/dbraw/zinc/12/04/45/521120445.db2.gz UASOFMNYARTBMB-MGPQQGTHSA-N 2 2 286.416 0.868 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@H]1C ZINC000354639792 521120457 /nfs/dbraw/zinc/12/04/57/521120457.db2.gz UASOFMNYARTBMB-MGPQQGTHSA-N 2 2 286.416 0.868 20 0 CCADLP C[C@@H](C[NH3+])NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000423599512 533806076 /nfs/dbraw/zinc/80/60/76/533806076.db2.gz XYVDKRHTJXKIKU-JQWIXIFHSA-N 2 2 255.362 0.093 20 0 CCADLP C[C@@H](C[NH3+])NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000423599512 533806088 /nfs/dbraw/zinc/80/60/88/533806088.db2.gz XYVDKRHTJXKIKU-JQWIXIFHSA-N 2 2 255.362 0.093 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418393201 533852755 /nfs/dbraw/zinc/85/27/55/533852755.db2.gz DUAYPPYLCJBBQR-WCQYABFASA-N 2 2 284.404 0.086 20 0 CCADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)[C@@H]1CCOC1 ZINC000449397080 533905937 /nfs/dbraw/zinc/90/59/37/533905937.db2.gz NYHSXKPZFMVVBM-BFHYXJOUSA-N 2 2 256.390 0.848 20 0 CCADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)[C@@H]1CCOC1 ZINC000449397080 533905943 /nfs/dbraw/zinc/90/59/43/533905943.db2.gz NYHSXKPZFMVVBM-BFHYXJOUSA-N 2 2 256.390 0.848 20 0 CCADLP COCC[C@@H](C)[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000447377390 545096428 /nfs/dbraw/zinc/09/64/28/545096428.db2.gz WFQSVOUDMWFRJM-CYBMUJFWSA-N 2 2 266.389 0.963 20 0 CCADLP C[C@@]1(CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CCC[NH2+]C1 ZINC000418251750 534267045 /nfs/dbraw/zinc/26/70/45/534267045.db2.gz YCUBPCFGTKCGDI-XHDPSFHLSA-N 2 2 291.399 0.956 20 0 CCADLP C[C@@]1(CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CCC[NH2+]C1 ZINC000418251750 534267049 /nfs/dbraw/zinc/26/70/49/534267049.db2.gz YCUBPCFGTKCGDI-XHDPSFHLSA-N 2 2 291.399 0.956 20 0 CCADLP CC[NH+](CC)CC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000367718004 517640303 /nfs/dbraw/zinc/64/03/03/517640303.db2.gz WYCYRADHEABORQ-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP OCCC[N@@H+]1CCC[C@@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000449397128 534357813 /nfs/dbraw/zinc/35/78/13/534357813.db2.gz OHWAJNDQSDJPAI-ZIAGYGMSSA-N 2 2 256.390 0.849 20 0 CCADLP OCCC[N@H+]1CCC[C@@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000449397128 534357820 /nfs/dbraw/zinc/35/78/20/534357820.db2.gz OHWAJNDQSDJPAI-ZIAGYGMSSA-N 2 2 256.390 0.849 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000151381942 519680031 /nfs/dbraw/zinc/68/00/31/519680031.db2.gz NHSMNHMMGWXSDC-ZDUSSCGKSA-N 2 2 276.384 0.998 20 0 CCADLP CCC[NH+]1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000363693992 519855330 /nfs/dbraw/zinc/85/53/30/519855330.db2.gz ZCKQOFAOPLBGNS-UHFFFAOYSA-N 2 2 295.427 0.796 20 0 CCADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](S(=O)(=O)NC)C1 ZINC000365193374 520606502 /nfs/dbraw/zinc/60/65/02/520606502.db2.gz VOZVBNSFSUETFH-ZDUSSCGKSA-N 2 2 291.461 0.732 20 0 CCADLP CC[NH+](CC)CCC[N@H+]1CCC[C@H](S(=O)(=O)NC)C1 ZINC000365193374 520606505 /nfs/dbraw/zinc/60/65/05/520606505.db2.gz VOZVBNSFSUETFH-ZDUSSCGKSA-N 2 2 291.461 0.732 20 0 CCADLP Cc1cccc(CCNc2cc[nH+]cc2C(N)=O)[nH+]1 ZINC000530481847 545101826 /nfs/dbraw/zinc/10/18/26/545101826.db2.gz OOAIRPYKYJQZKQ-UHFFFAOYSA-N 2 2 256.309 0.960 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000353425115 523502170 /nfs/dbraw/zinc/50/21/70/523502170.db2.gz IPXUNIPZUZXJLZ-AWEZNQCLSA-N 2 2 288.351 0.521 20 0 CCADLP [NH3+][C@H](C(=O)NC[C@@H]1CC[NH2+]CC1(F)F)C1CCC1 ZINC000424188252 534718533 /nfs/dbraw/zinc/71/85/33/534718533.db2.gz JGONGIAXCYGTPF-UWVGGRQHSA-N 2 2 261.316 0.475 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)NCCCn1cc[nH+]c1 ZINC000340739958 523589342 /nfs/dbraw/zinc/58/93/42/523589342.db2.gz HSYKVKKKZUFOHE-UHFFFAOYSA-N 2 2 276.344 0.848 20 0 CCADLP COCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CCn2cccn2)C1 ZINC000354086119 523868029 /nfs/dbraw/zinc/86/80/29/523868029.db2.gz MWHQBEJUIPAKFS-ZIAGYGMSSA-N 2 2 266.389 0.972 20 0 CCADLP COCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CCn2cccn2)C1 ZINC000354086119 523868033 /nfs/dbraw/zinc/86/80/33/523868033.db2.gz MWHQBEJUIPAKFS-ZIAGYGMSSA-N 2 2 266.389 0.972 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000052881823 524626675 /nfs/dbraw/zinc/62/66/75/524626675.db2.gz RJFYKMOQDOIKNK-BBRMVZONSA-N 2 2 291.395 0.697 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)Cc1[nH+]ccn1C ZINC000340743120 524785555 /nfs/dbraw/zinc/78/55/55/524785555.db2.gz LCRGZVOINOARSO-LLVKDONJSA-N 2 2 276.344 0.847 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000340739784 524903289 /nfs/dbraw/zinc/90/32/89/524903289.db2.gz HHLWFQIGOQQXMR-OLZOCXBDSA-N 2 2 283.416 0.411 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000340739784 524903298 /nfs/dbraw/zinc/90/32/98/524903298.db2.gz HHLWFQIGOQQXMR-OLZOCXBDSA-N 2 2 283.416 0.411 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000070172820 525010274 /nfs/dbraw/zinc/01/02/74/525010274.db2.gz SETVVASOYKPXFH-VXGBXAGGSA-N 2 2 250.346 0.859 20 0 CCADLP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358254063 534841265 /nfs/dbraw/zinc/84/12/65/534841265.db2.gz OYEQIMHBMQGFSF-MFKMUULPSA-N 2 2 252.362 0.446 20 0 CCADLP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358254063 534841269 /nfs/dbraw/zinc/84/12/69/534841269.db2.gz OYEQIMHBMQGFSF-MFKMUULPSA-N 2 2 252.362 0.446 20 0 CCADLP C[C@@H](NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)[C@H](C)[NH+]1CCOCC1 ZINC000366667842 525279106 /nfs/dbraw/zinc/27/91/06/525279106.db2.gz GAVHRWJSHQFMLL-HLPPOEQASA-N 2 2 295.427 0.602 20 0 CCADLP C[NH+](C)C[C@@H]1CN(c2nc[nH+]c3c2OCCN3)CCO1 ZINC000665699907 545103369 /nfs/dbraw/zinc/10/33/69/545103369.db2.gz SMNBNTAPCMTVNK-SNVBAGLBSA-N 2 2 279.344 0.048 20 0 CCADLP C[NH+](C)C[C@@H]1CN(c2[nH+]cnc3c2OCCN3)CCO1 ZINC000665699907 545103370 /nfs/dbraw/zinc/10/33/70/545103370.db2.gz SMNBNTAPCMTVNK-SNVBAGLBSA-N 2 2 279.344 0.048 20 0 CCADLP CCOCC[NH+]1CCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000665699019 545103455 /nfs/dbraw/zinc/10/34/55/545103455.db2.gz HZIQROPGOBWDLI-UHFFFAOYSA-N 2 2 293.371 0.439 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366558904 526073634 /nfs/dbraw/zinc/07/36/34/526073634.db2.gz MHEIRXKTDRDEGV-IIAWOOMASA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366558904 526073640 /nfs/dbraw/zinc/07/36/40/526073640.db2.gz MHEIRXKTDRDEGV-IIAWOOMASA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366558904 526073652 /nfs/dbraw/zinc/07/36/52/526073652.db2.gz MHEIRXKTDRDEGV-IIAWOOMASA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366558904 526073661 /nfs/dbraw/zinc/07/36/61/526073661.db2.gz MHEIRXKTDRDEGV-IIAWOOMASA-N 2 2 295.427 0.698 20 0 CCADLP NC(=O)C[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000182811178 526905927 /nfs/dbraw/zinc/90/59/27/526905927.db2.gz WRNZGBOKGVIPIY-LBPRGKRZSA-N 2 2 250.346 0.861 20 0 CCADLP NC(=O)C[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000182811178 526905935 /nfs/dbraw/zinc/90/59/35/526905935.db2.gz WRNZGBOKGVIPIY-LBPRGKRZSA-N 2 2 250.346 0.861 20 0 CCADLP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000666913050 545133694 /nfs/dbraw/zinc/13/36/94/545133694.db2.gz BYBYEPZPVVZRLD-RYUDHWBXSA-N 2 2 276.384 0.973 20 0 CCADLP CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000666913050 545133695 /nfs/dbraw/zinc/13/36/95/545133695.db2.gz BYBYEPZPVVZRLD-RYUDHWBXSA-N 2 2 276.384 0.973 20 0 CCADLP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000666913050 545133696 /nfs/dbraw/zinc/13/36/96/545133696.db2.gz BYBYEPZPVVZRLD-RYUDHWBXSA-N 2 2 276.384 0.973 20 0 CCADLP CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000666913050 545133697 /nfs/dbraw/zinc/13/36/97/545133697.db2.gz BYBYEPZPVVZRLD-RYUDHWBXSA-N 2 2 276.384 0.973 20 0 CCADLP C[N@H+](CCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000667158724 545139757 /nfs/dbraw/zinc/13/97/57/545139757.db2.gz HGXXTSBAZMQMIP-SNVBAGLBSA-N 2 2 262.357 0.725 20 0 CCADLP C[N@@H+](CCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000667158724 545139758 /nfs/dbraw/zinc/13/97/58/545139758.db2.gz HGXXTSBAZMQMIP-SNVBAGLBSA-N 2 2 262.357 0.725 20 0 CCADLP C[N@H+](CCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000667158724 545139759 /nfs/dbraw/zinc/13/97/59/545139759.db2.gz HGXXTSBAZMQMIP-SNVBAGLBSA-N 2 2 262.357 0.725 20 0 CCADLP C[N@@H+](CCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000667158724 545139760 /nfs/dbraw/zinc/13/97/60/545139760.db2.gz HGXXTSBAZMQMIP-SNVBAGLBSA-N 2 2 262.357 0.725 20 0 CCADLP CCNC(=O)C[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667533811 545149309 /nfs/dbraw/zinc/14/93/09/545149309.db2.gz BFQZZZGMWLLTEK-UHFFFAOYSA-N 2 2 273.340 0.835 20 0 CCADLP CCNC(=O)C[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667533811 545149310 /nfs/dbraw/zinc/14/93/10/545149310.db2.gz BFQZZZGMWLLTEK-UHFFFAOYSA-N 2 2 273.340 0.835 20 0 CCADLP CC(C)(O)C[NH+]1CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000667585398 545150370 /nfs/dbraw/zinc/15/03/70/545150370.db2.gz ZJUNMDWRBGTTPJ-UHFFFAOYSA-N 2 2 278.400 0.718 20 0 CCADLP [NH3+][C@H](Cc1ccccc1)C(=O)NCCc1[nH]cc[nH+]1 ZINC000157255237 527389732 /nfs/dbraw/zinc/38/97/32/527389732.db2.gz QJUIEIGEPGRNAT-GFCCVEGCSA-N 2 2 258.325 0.638 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC000365652203 527467784 /nfs/dbraw/zinc/46/77/84/527467784.db2.gz ZTMGUUNKUMHEHD-LBPRGKRZSA-N 2 2 290.367 0.749 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC000365652203 527467788 /nfs/dbraw/zinc/46/77/88/527467788.db2.gz ZTMGUUNKUMHEHD-LBPRGKRZSA-N 2 2 290.367 0.749 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cnnn2C)C1 ZINC000364760869 527468064 /nfs/dbraw/zinc/46/80/64/527468064.db2.gz SDCRXGKBFRJDTP-NSHDSACASA-N 2 2 260.345 0.928 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cnnn2C)C1 ZINC000364760869 527468066 /nfs/dbraw/zinc/46/80/66/527468066.db2.gz SDCRXGKBFRJDTP-NSHDSACASA-N 2 2 260.345 0.928 20 0 CCADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cnc2n1CCC2 ZINC000668162622 545165897 /nfs/dbraw/zinc/16/58/97/545165897.db2.gz CFVNVFNGJYROGN-UHFFFAOYSA-N 2 2 291.443 0.899 20 0 CCADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cnc2n1CCC2 ZINC000668162622 545165898 /nfs/dbraw/zinc/16/58/98/545165898.db2.gz CFVNVFNGJYROGN-UHFFFAOYSA-N 2 2 291.443 0.899 20 0 CCADLP C([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)[C@@H]1C[NH2+]CCO1 ZINC000423560152 527490739 /nfs/dbraw/zinc/49/07/39/527490739.db2.gz JNSJVDZNRVZZCP-FQUUOJAGSA-N 2 2 266.385 0.912 20 0 CCADLP C([NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)[C@H]1C[NH2+]CCO1 ZINC000423560159 527492031 /nfs/dbraw/zinc/49/20/31/527492031.db2.gz JNSJVDZNRVZZCP-YIYPIFLZSA-N 2 2 266.385 0.912 20 0 CCADLP O=C(NC1CC[NH+](C2CC2)CC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262900107 527525752 /nfs/dbraw/zinc/52/57/52/527525752.db2.gz DMJBNSRLMKEMGA-LLVKDONJSA-N 2 2 273.327 0.727 20 0 CCADLP C[C@H](NC(=O)C1([NH+](C)C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000668319343 545172885 /nfs/dbraw/zinc/17/28/85/545172885.db2.gz GBQZTAJGRGWTAY-RYUDHWBXSA-N 2 2 269.389 0.306 20 0 CCADLP CO[C@]1(CO)CCC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668498773 545179070 /nfs/dbraw/zinc/17/90/70/545179070.db2.gz WEXKOBDNBXUPAR-CQSZACIVSA-N 2 2 265.357 0.803 20 0 CCADLP CO[C@]1(CO)CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668498773 545179071 /nfs/dbraw/zinc/17/90/71/545179071.db2.gz WEXKOBDNBXUPAR-CQSZACIVSA-N 2 2 265.357 0.803 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000668704073 545188294 /nfs/dbraw/zinc/18/82/94/545188294.db2.gz POXHUJFXZXLDBI-LLVKDONJSA-N 2 2 264.373 0.971 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000668704073 545188295 /nfs/dbraw/zinc/18/82/95/545188295.db2.gz POXHUJFXZXLDBI-LLVKDONJSA-N 2 2 264.373 0.971 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000668704073 545188296 /nfs/dbraw/zinc/18/82/96/545188296.db2.gz POXHUJFXZXLDBI-LLVKDONJSA-N 2 2 264.373 0.971 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000668704073 545188297 /nfs/dbraw/zinc/18/82/97/545188297.db2.gz POXHUJFXZXLDBI-LLVKDONJSA-N 2 2 264.373 0.971 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449647348 527894281 /nfs/dbraw/zinc/89/42/81/527894281.db2.gz PPQLSCDJFXLNKT-GXSJLCMTSA-N 2 2 263.332 0.865 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)C1 ZINC000358194175 527973706 /nfs/dbraw/zinc/97/37/06/527973706.db2.gz BJICFYQVQBSRLL-ODXJTPSBSA-N 2 2 265.401 0.926 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)C1 ZINC000358194175 527973709 /nfs/dbraw/zinc/97/37/09/527973709.db2.gz BJICFYQVQBSRLL-ODXJTPSBSA-N 2 2 265.401 0.926 20 0 CCADLP CC1([NH3+])CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000669457047 545208661 /nfs/dbraw/zinc/20/86/61/545208661.db2.gz CPQSGQAAPDGOGA-UHFFFAOYSA-N 2 2 298.431 0.620 20 0 CCADLP CC1([NH3+])CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000669457047 545208662 /nfs/dbraw/zinc/20/86/62/545208662.db2.gz CPQSGQAAPDGOGA-UHFFFAOYSA-N 2 2 298.431 0.620 20 0 CCADLP CC[NH2+]CCCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000669542888 545214081 /nfs/dbraw/zinc/21/40/81/545214081.db2.gz QBNXXMWRBQRAQA-CYBMUJFWSA-N 2 2 291.399 0.959 20 0 CCADLP C[C@@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C(F)(F)F ZINC000669563921 545214838 /nfs/dbraw/zinc/21/48/38/545214838.db2.gz CCLVYHHOKWTMMO-DTWKUNHWSA-N 2 2 282.310 0.469 20 0 CCADLP C[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C(F)(F)F ZINC000669563921 545214839 /nfs/dbraw/zinc/21/48/39/545214839.db2.gz CCLVYHHOKWTMMO-DTWKUNHWSA-N 2 2 282.310 0.469 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@H]2CCC(F)(F)C2)[C@H](C[NH3+])C1 ZINC000669576341 545215374 /nfs/dbraw/zinc/21/53/74/545215374.db2.gz QGTCJZDWKYUCFF-WDEREUQCSA-N 2 2 290.358 0.706 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@H]2CCC(F)(F)C2)[C@H](C[NH3+])C1 ZINC000669576341 545215375 /nfs/dbraw/zinc/21/53/75/545215375.db2.gz QGTCJZDWKYUCFF-WDEREUQCSA-N 2 2 290.358 0.706 20 0 CCADLP CC(C)[C@@H](CO)[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000451607988 528484713 /nfs/dbraw/zinc/48/47/13/528484713.db2.gz IYHHCSIXJPEADP-ZBFHGGJFSA-N 2 2 299.459 0.639 20 0 CCADLP CCC[NH2+]CCNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000418491626 528488100 /nfs/dbraw/zinc/48/81/00/528488100.db2.gz SAJWPJZSEKDDDW-AWEZNQCLSA-N 2 2 298.431 0.492 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000449139259 528536125 /nfs/dbraw/zinc/53/61/25/528536125.db2.gz AGEIYIZFMALYKQ-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP CC(C)CNC(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986590 545241171 /nfs/dbraw/zinc/24/11/71/545241171.db2.gz GBZZDQAEPQYFOH-OAHLLOKOSA-N 2 2 297.443 0.945 20 0 CCADLP CC(C)CNC(=O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986590 545241172 /nfs/dbraw/zinc/24/11/72/545241172.db2.gz 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ZINC000672154486 545263613 /nfs/dbraw/zinc/26/36/13/545263613.db2.gz MZSDXOWLYPCDGP-BXUZGUMPSA-N 2 2 274.368 0.941 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672154576 545263860 /nfs/dbraw/zinc/26/38/60/545263860.db2.gz PMGASKNXXFUGBX-LLVKDONJSA-N 2 2 273.340 0.680 20 0 CCADLP CCCC[C@H]([NH3+])C(=O)N1CC[N@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000423893658 528970100 /nfs/dbraw/zinc/97/01/00/528970100.db2.gz LNZUITLNNVUBOF-STQMWFEESA-N 2 2 299.415 0.600 20 0 CCADLP CCCC[C@H]([NH3+])C(=O)N1CC[N@@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000423893658 528970103 /nfs/dbraw/zinc/97/01/03/528970103.db2.gz LNZUITLNNVUBOF-STQMWFEESA-N 2 2 299.415 0.600 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000672963722 545276353 /nfs/dbraw/zinc/27/63/53/545276353.db2.gz RBVCCKIKHZBZKJ-ZDUSSCGKSA-N 2 2 282.413 0.516 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000423866157 529213461 /nfs/dbraw/zinc/21/34/61/529213461.db2.gz LCOYEDPMOGTIJC-YNEHKIRRSA-N 2 2 293.415 0.609 20 0 CCADLP CC[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@@H+]1C[C@@H](C)O ZINC000492856002 529347457 /nfs/dbraw/zinc/34/74/57/529347457.db2.gz BBDLOFPAQFBNRY-YKEDUJKTSA-N 2 2 292.383 0.727 20 0 CCADLP CC[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@H+]1C[C@@H](C)O ZINC000492856002 529347459 /nfs/dbraw/zinc/34/74/59/529347459.db2.gz BBDLOFPAQFBNRY-YKEDUJKTSA-N 2 2 292.383 0.727 20 0 CCADLP CC1(C)NC(=O)N(CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1=O ZINC000261657574 534979763 /nfs/dbraw/zinc/97/97/63/534979763.db2.gz DVQMKIGEOVAXQL-MNOVXSKESA-N 2 2 280.372 0.001 20 0 CCADLP CC1(C)NC(=O)N(CC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1=O ZINC000261657574 534979767 /nfs/dbraw/zinc/97/97/67/534979767.db2.gz DVQMKIGEOVAXQL-MNOVXSKESA-N 2 2 280.372 0.001 20 0 CCADLP C[C@@H](C(=O)NCC[N@@H+]1CCOCC1(C)C)[NH+](C)C ZINC000674287488 545302576 /nfs/dbraw/zinc/30/25/76/545302576.db2.gz QFAIEWRJCRNABH-NSHDSACASA-N 2 2 257.378 0.164 20 0 CCADLP C[C@@H](C(=O)NCC[N@H+]1CCOCC1(C)C)[NH+](C)C ZINC000674287488 545302577 /nfs/dbraw/zinc/30/25/77/545302577.db2.gz QFAIEWRJCRNABH-NSHDSACASA-N 2 2 257.378 0.164 20 0 CCADLP CCC(CC)NC(=O)[C@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000314132382 535070118 /nfs/dbraw/zinc/07/01/18/535070118.db2.gz LXJIGAQUWRNWFU-ZFWWWQNUSA-N 2 2 296.459 0.659 20 0 CCADLP COC[C@@H](C)CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000674800108 545313433 /nfs/dbraw/zinc/31/34/33/545313433.db2.gz VTRWVOSWWOJAOD-UONOGXRCSA-N 2 2 297.443 0.944 20 0 CCADLP COC[C@@H](C)CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000674800108 545313434 /nfs/dbraw/zinc/31/34/34/545313434.db2.gz VTRWVOSWWOJAOD-UONOGXRCSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H]1CC[N@H+](CC[NH2+]C2CCN(S(C)(=O)=O)CC2)C1 ZINC000675924865 545332662 /nfs/dbraw/zinc/33/26/62/545332662.db2.gz YNUJYIOCVGMKDJ-LBPRGKRZSA-N 2 2 289.445 0.342 20 0 CCADLP C[C@H]1CC[N@@H+](CC[NH2+]C2CCN(S(C)(=O)=O)CC2)C1 ZINC000675924865 545332663 /nfs/dbraw/zinc/33/26/63/545332663.db2.gz YNUJYIOCVGMKDJ-LBPRGKRZSA-N 2 2 289.445 0.342 20 0 CCADLP CC[NH+](CC)CC1CC[NH+](Cc2nc(N)nc(N)n2)CC1 ZINC000343564241 535496967 /nfs/dbraw/zinc/49/69/67/535496967.db2.gz IGABLHXJJPJLKC-UHFFFAOYSA-N 2 2 293.419 0.251 20 0 CCADLP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000676246459 545338415 /nfs/dbraw/zinc/33/84/15/545338415.db2.gz VUCLIALNIXGONF-SCRDCRAPSA-N 2 2 296.415 0.241 20 0 CCADLP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000676246459 545338416 /nfs/dbraw/zinc/33/84/16/545338416.db2.gz VUCLIALNIXGONF-SCRDCRAPSA-N 2 2 296.415 0.241 20 0 CCADLP C[C@H](NC(=O)N[C@@H]1CC[NH+](C2CC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000676246459 545338417 /nfs/dbraw/zinc/33/84/17/545338417.db2.gz VUCLIALNIXGONF-SCRDCRAPSA-N 2 2 296.415 0.241 20 0 CCADLP C[C@H](NC(=O)N[C@@H]1CC[NH+](C2CC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676246459 545338418 /nfs/dbraw/zinc/33/84/18/545338418.db2.gz VUCLIALNIXGONF-SCRDCRAPSA-N 2 2 296.415 0.241 20 0 CCADLP CC[C@@H](Cn1cncn1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000516939591 535777739 /nfs/dbraw/zinc/77/77/39/535777739.db2.gz GVZKPJDUHBNQIK-OLZOCXBDSA-N 2 2 251.378 0.988 20 0 CCADLP CC[C@@H](Cn1cncn1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000516939591 535777744 /nfs/dbraw/zinc/77/77/44/535777744.db2.gz GVZKPJDUHBNQIK-OLZOCXBDSA-N 2 2 251.378 0.988 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC000677195513 545360504 /nfs/dbraw/zinc/36/05/04/545360504.db2.gz ODPYRONAAMFTQY-CABCVRRESA-N 2 2 296.459 0.565 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC000677195513 545360505 /nfs/dbraw/zinc/36/05/05/545360505.db2.gz ODPYRONAAMFTQY-CABCVRRESA-N 2 2 296.459 0.565 20 0 CCADLP C[NH+](C)CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000170250511 535836119 /nfs/dbraw/zinc/83/61/19/535836119.db2.gz PIAJCXIWUZIPQW-LLVKDONJSA-N 2 2 250.346 0.513 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CCn2ccccc2=O)CC1 ZINC000677695545 545370767 /nfs/dbraw/zinc/37/07/67/545370767.db2.gz XEAYHHMJMZBKGT-UHFFFAOYSA-N 2 2 287.367 0.404 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)N(C)Cc2[nH]cc[nH+]2)CC1 ZINC000677801596 545372957 /nfs/dbraw/zinc/37/29/57/545372957.db2.gz FJEAINNIMZZYOA-GFCCVEGCSA-N 2 2 279.388 0.394 20 0 CCADLP CC(C)c1nc(N2C[C@H]3C[NH2+]C[C@@H]3C2)nc(N(C)C)[nH+]1 ZINC000678064228 545383225 /nfs/dbraw/zinc/38/32/25/545383225.db2.gz XJYGBRMDKNLCJS-GHMZBOCLSA-N 2 2 276.388 0.717 20 0 CCADLP CC(C)c1nc(N(C)C)nc(N2C[C@H]3C[NH2+]C[C@@H]3C2)[nH+]1 ZINC000678064228 545383226 /nfs/dbraw/zinc/38/32/26/545383226.db2.gz XJYGBRMDKNLCJS-GHMZBOCLSA-N 2 2 276.388 0.717 20 0 CCADLP C[C@@H](CO)C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678080741 545383867 /nfs/dbraw/zinc/38/38/67/545383867.db2.gz HEZXXMDWBWTKPZ-YPMHNXCESA-N 2 2 269.389 0.029 20 0 CCADLP C[C@@H](CO)C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678080741 545383868 /nfs/dbraw/zinc/38/38/68/545383868.db2.gz HEZXXMDWBWTKPZ-YPMHNXCESA-N 2 2 269.389 0.029 20 0 CCADLP CC1(C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)COC1 ZINC000678083285 545384156 /nfs/dbraw/zinc/38/41/56/545384156.db2.gz ZBCSHMWDZWBTCT-ZDUSSCGKSA-N 2 2 281.400 0.437 20 0 CCADLP CC1(C[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)COC1 ZINC000678083285 545384157 /nfs/dbraw/zinc/38/41/57/545384157.db2.gz ZBCSHMWDZWBTCT-ZDUSSCGKSA-N 2 2 281.400 0.437 20 0 CCADLP C[N@H+]1CC=C(CNC(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000361038205 536332504 /nfs/dbraw/zinc/33/25/04/536332504.db2.gz ZBKBVBKSGQHLGO-UHFFFAOYSA-N 2 2 293.411 0.619 20 0 CCADLP C[N@@H+]1CC=C(CNC(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000361038205 536332506 /nfs/dbraw/zinc/33/25/06/536332506.db2.gz ZBKBVBKSGQHLGO-UHFFFAOYSA-N 2 2 293.411 0.619 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3CCOCC3)C2)CC1 ZINC000369272160 536339920 /nfs/dbraw/zinc/33/99/20/536339920.db2.gz AKLCUMARLOPJMG-CQSZACIVSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3CCOCC3)C2)CC1 ZINC000369272160 536339922 /nfs/dbraw/zinc/33/99/22/536339922.db2.gz AKLCUMARLOPJMG-CQSZACIVSA-N 2 2 295.427 0.698 20 0 CCADLP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H]1COCC[NH+]1C ZINC000345209196 536403670 /nfs/dbraw/zinc/40/36/70/536403670.db2.gz LAEHCZQRUMGWHQ-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@H]1COCC[NH+]1C ZINC000345209196 536403672 /nfs/dbraw/zinc/40/36/72/536403672.db2.gz LAEHCZQRUMGWHQ-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)[C@H]1COCC[N@@H+]1C ZINC000345209196 536403673 /nfs/dbraw/zinc/40/36/73/536403673.db2.gz LAEHCZQRUMGWHQ-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)[C@H]1COCC[N@H+]1C ZINC000345209196 536403675 /nfs/dbraw/zinc/40/36/75/536403675.db2.gz LAEHCZQRUMGWHQ-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP COCCCN(C)CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000343251251 536510948 /nfs/dbraw/zinc/51/09/48/536510948.db2.gz MJUBAGSIJTXHBW-BZUAXINKSA-N 2 2 299.459 0.701 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)NCCCCNc1cccc[nH+]1 ZINC000262829221 536565283 /nfs/dbraw/zinc/56/52/83/536565283.db2.gz ZEOZMNNOCZSAEM-LBPRGKRZSA-N 2 2 280.372 0.754 20 0 CCADLP CC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccn(C)n1 ZINC000680461958 545429204 /nfs/dbraw/zinc/42/92/04/545429204.db2.gz FRWCCBVYNGHNLX-GFCCVEGCSA-N 2 2 279.388 0.235 20 0 CCADLP COCC[NH+]1CCC([N@H+](C)[C@H](C)C[S@](C)=O)CC1 ZINC000362069339 536858156 /nfs/dbraw/zinc/85/81/56/536858156.db2.gz UKMSRQDBMQQMJA-XIKOKIGWSA-N 2 2 276.446 0.796 20 0 CCADLP COCC[NH+]1CCC([N@@H+](C)[C@H](C)C[S@](C)=O)CC1 ZINC000362069339 536858164 /nfs/dbraw/zinc/85/81/64/536858164.db2.gz UKMSRQDBMQQMJA-XIKOKIGWSA-N 2 2 276.446 0.796 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cncnc3)C2)CC1 ZINC000680628711 545434068 /nfs/dbraw/zinc/43/40/68/545434068.db2.gz YLCVRPKFZLLBSR-CYBMUJFWSA-N 2 2 289.383 0.375 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cncnc3)C2)CC1 ZINC000680628711 545434069 /nfs/dbraw/zinc/43/40/69/545434069.db2.gz YLCVRPKFZLLBSR-CYBMUJFWSA-N 2 2 289.383 0.375 20 0 CCADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)C(F)(F)F)CC2)C1 ZINC000680866159 545436803 /nfs/dbraw/zinc/43/68/03/545436803.db2.gz MYVYRHRADRMXOJ-VXGBXAGGSA-N 2 2 295.349 0.621 20 0 CCADLP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)C(F)(F)F)CC2)C1 ZINC000680866159 545436804 /nfs/dbraw/zinc/43/68/04/545436804.db2.gz MYVYRHRADRMXOJ-VXGBXAGGSA-N 2 2 295.349 0.621 20 0 CCADLP CO[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000681178813 545444714 /nfs/dbraw/zinc/44/47/14/545444714.db2.gz USDBXDCFGFGARZ-DZGCQCFKSA-N 2 2 297.443 0.942 20 0 CCADLP CO[C@@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000681178813 545444715 /nfs/dbraw/zinc/44/47/15/545444715.db2.gz USDBXDCFGFGARZ-DZGCQCFKSA-N 2 2 297.443 0.942 20 0 CCADLP Cn1c[nH+]cc1CN1CC[N@H+](CCO)C(C)(C)C1 ZINC000682037500 545471468 /nfs/dbraw/zinc/47/14/68/545471468.db2.gz FTUGMVAQNZRFDQ-UHFFFAOYSA-N 2 2 252.362 0.309 20 0 CCADLP Cn1c[nH+]cc1CN1CC[N@@H+](CCO)C(C)(C)C1 ZINC000682037500 545471469 /nfs/dbraw/zinc/47/14/69/545471469.db2.gz FTUGMVAQNZRFDQ-UHFFFAOYSA-N 2 2 252.362 0.309 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N1CC[NH+]2CCC1CC2 ZINC000682567006 545483825 /nfs/dbraw/zinc/48/38/25/545483825.db2.gz NOQGFKMYMZEBNQ-UHFFFAOYSA-N 2 2 262.357 0.970 20 0 CCADLP CC1(C)CN(C(=O)[C@H]2CCC[NH+]2C2CC2)CC[N@@H+]1CCO ZINC000683874668 545575137 /nfs/dbraw/zinc/57/51/37/545575137.db2.gz GETMGGFJQRNTMQ-CQSZACIVSA-N 2 2 295.427 0.528 20 0 CCADLP CC1(C)CN(C(=O)[C@H]2CCC[NH+]2C2CC2)CC[N@H+]1CCO ZINC000683874668 545575139 /nfs/dbraw/zinc/57/51/39/545575139.db2.gz GETMGGFJQRNTMQ-CQSZACIVSA-N 2 2 295.427 0.528 20 0 CCADLP CC1(C)CN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC[NH+]1CCO ZINC000683874668 545575140 /nfs/dbraw/zinc/57/51/40/545575140.db2.gz GETMGGFJQRNTMQ-CQSZACIVSA-N 2 2 295.427 0.528 20 0 CCADLP CC1(C)CN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CC[NH+]1CCO ZINC000683874668 545575142 /nfs/dbraw/zinc/57/51/42/545575142.db2.gz GETMGGFJQRNTMQ-CQSZACIVSA-N 2 2 295.427 0.528 20 0 CCADLP CC[NH+]1CCN(CC(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)CC1 ZINC000777454656 581116197 /nfs/dbraw/zinc/11/61/97/581116197.db2.gz 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ZINC000792470982 581262191 /nfs/dbraw/zinc/26/21/91/581262191.db2.gz XRBPTGXFALCZGP-SECBINFHSA-N 2 2 261.333 0.864 20 0 CCADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@]1(CO)CCOC1 ZINC000782175778 581291222 /nfs/dbraw/zinc/29/12/22/581291222.db2.gz HXYPLQJPPPKXGE-HNNXBMFYSA-N 2 2 288.351 0.851 20 0 CCADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@]1(CO)CCOC1 ZINC000782175778 581291224 /nfs/dbraw/zinc/29/12/24/581291224.db2.gz HXYPLQJPPPKXGE-HNNXBMFYSA-N 2 2 288.351 0.851 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000793289442 581292305 /nfs/dbraw/zinc/29/23/05/581292305.db2.gz ALKMSDIICNDASG-QWHCGFSZSA-N 2 2 278.356 0.322 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000793289442 581292309 /nfs/dbraw/zinc/29/23/09/581292309.db2.gz ALKMSDIICNDASG-QWHCGFSZSA-N 2 2 278.356 0.322 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000793289442 581292313 /nfs/dbraw/zinc/29/23/13/581292313.db2.gz ALKMSDIICNDASG-QWHCGFSZSA-N 2 2 278.356 0.322 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000793289442 581292316 /nfs/dbraw/zinc/29/23/16/581292316.db2.gz ALKMSDIICNDASG-QWHCGFSZSA-N 2 2 278.356 0.322 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000793290316 581292492 /nfs/dbraw/zinc/29/24/92/581292492.db2.gz DZRYMVBNKLLSDM-ZIAGYGMSSA-N 2 2 292.383 0.332 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000793290316 581292494 /nfs/dbraw/zinc/29/24/94/581292494.db2.gz DZRYMVBNKLLSDM-ZIAGYGMSSA-N 2 2 292.383 0.332 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)NCC2([NH+](C)C)CCC2)CCO1 ZINC000782962364 581329029 /nfs/dbraw/zinc/32/90/29/581329029.db2.gz RNNRIDNXCAHQKI-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC2([NH+](C)C)CCC2)CCO1 ZINC000782962364 581329034 /nfs/dbraw/zinc/32/90/34/581329034.db2.gz RNNRIDNXCAHQKI-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CO[C@H]1CC[N@H+](CN2C[C@H](c3c[nH+]cn3C)CC2=O)C1 ZINC000783989926 581369699 /nfs/dbraw/zinc/36/96/99/581369699.db2.gz OSNQGVAMWOZUTB-NEPJUHHUSA-N 2 2 278.356 0.414 20 0 CCADLP CO[C@H]1CC[N@@H+](CN2C[C@H](c3c[nH+]cn3C)CC2=O)C1 ZINC000783989926 581369700 /nfs/dbraw/zinc/36/97/00/581369700.db2.gz OSNQGVAMWOZUTB-NEPJUHHUSA-N 2 2 278.356 0.414 20 0 CCADLP Cc1c[nH+]ccc1N1CC[NH+](CC[S@](C)=O)CC1 ZINC000795100249 581398509 /nfs/dbraw/zinc/39/85/09/581398509.db2.gz JPWIHEAHDXOVGS-SFHVURJKSA-N 2 2 267.398 0.891 20 0 CCADLP CN1CC[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000796284114 581435827 /nfs/dbraw/zinc/43/58/27/581435827.db2.gz JVKLGDZDVVMQJZ-SNVBAGLBSA-N 2 2 254.403 0.998 20 0 CCADLP C[NH+](C)Cc1cnc(CN[C@@H]2CC[N@H+](C)C2)s1 ZINC000796284114 581435830 /nfs/dbraw/zinc/43/58/30/581435830.db2.gz JVKLGDZDVVMQJZ-SNVBAGLBSA-N 2 2 254.403 0.998 20 0 CCADLP C[NH+](C)Cc1cnc(CN[C@@H]2CC[N@@H+](C)C2)s1 ZINC000796284114 581435833 /nfs/dbraw/zinc/43/58/33/581435833.db2.gz JVKLGDZDVVMQJZ-SNVBAGLBSA-N 2 2 254.403 0.998 20 0 CCADLP CO[C@H]1CC(=O)N(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000787220007 581460590 /nfs/dbraw/zinc/46/05/90/581460590.db2.gz MCUGMTSRXBVAPS-OLZOCXBDSA-N 2 2 278.356 0.725 20 0 CCADLP CO[C@H]1CC(=O)N(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000787220007 581460592 /nfs/dbraw/zinc/46/05/92/581460592.db2.gz MCUGMTSRXBVAPS-OLZOCXBDSA-N 2 2 278.356 0.725 20 0 CCADLP C[NH+](C)CCNC(=S)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000753675576 581550328 /nfs/dbraw/zinc/55/03/28/581550328.db2.gz IUOWEFKRMREDII-LBPRGKRZSA-N 2 2 293.440 0.686 20 0 CCADLP CCOC(=O)[C@@H]1CN(CCn2cc[nH+]c2)CCO1 ZINC000766241163 581558101 /nfs/dbraw/zinc/55/81/01/581558101.db2.gz BZXRRFQGABURPK-NSHDSACASA-N 2 2 253.302 0.147 20 0 CCADLP CCOC(=O)[C@@H]1C[N@H+](CCn2cc[nH+]c2)CCO1 ZINC000766241163 581558104 /nfs/dbraw/zinc/55/81/04/581558104.db2.gz BZXRRFQGABURPK-NSHDSACASA-N 2 2 253.302 0.147 20 0 CCADLP CCOC(=O)[C@@H]1C[N@@H+](CCn2cc[nH+]c2)CCO1 ZINC000766241163 581558108 /nfs/dbraw/zinc/55/81/08/581558108.db2.gz BZXRRFQGABURPK-NSHDSACASA-N 2 2 253.302 0.147 20 0 CCADLP CON(C)C(=O)CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000788022114 581559960 /nfs/dbraw/zinc/55/99/60/581559960.db2.gz LSJLQPWUXSLOFP-UHFFFAOYSA-N 2 2 266.345 0.930 20 0 CCADLP Cc1cnn(CC[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000420309657 581580715 /nfs/dbraw/zinc/58/07/15/581580715.db2.gz OZTRSZYAWQMLBS-CQSZACIVSA-N 2 2 291.399 0.088 20 0 CCADLP Cc1cnn(CC[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000420309657 581580720 /nfs/dbraw/zinc/58/07/20/581580720.db2.gz OZTRSZYAWQMLBS-CQSZACIVSA-N 2 2 291.399 0.088 20 0 CCADLP C[NH+]1CCC2(CCN2C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000754418955 581591074 /nfs/dbraw/zinc/59/10/74/581591074.db2.gz AHSGUYKWLIUXMG-LBPRGKRZSA-N 2 2 267.373 0.014 20 0 CCADLP C[NH+]1CCC2(CCN2C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000754418955 581591076 /nfs/dbraw/zinc/59/10/76/581591076.db2.gz AHSGUYKWLIUXMG-LBPRGKRZSA-N 2 2 267.373 0.014 20 0 CCADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(S(N)(=O)=O)cc1 ZINC000094078138 581593173 /nfs/dbraw/zinc/59/31/73/581593173.db2.gz LUMRECKJHSEPRZ-KOLCDFICSA-N 2 2 269.370 0.347 20 0 CCADLP C[C@H]1CC[N@H+](CCS(N)(=O)=O)C[C@@H]1n1cc[nH+]c1 ZINC000767436754 581613581 /nfs/dbraw/zinc/61/35/81/581613581.db2.gz YWRWPNMNIWBTDF-QWRGUYRKSA-N 2 2 272.374 0.055 20 0 CCADLP C[C@H]1CC[N@@H+](CCS(N)(=O)=O)C[C@@H]1n1cc[nH+]c1 ZINC000767436754 581613582 /nfs/dbraw/zinc/61/35/82/581613582.db2.gz YWRWPNMNIWBTDF-QWRGUYRKSA-N 2 2 272.374 0.055 20 0 CCADLP CCc1noc(C)c1[C@@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000769872684 581712641 /nfs/dbraw/zinc/71/26/41/581712641.db2.gz KDBWUNQVPRQCAG-LLVKDONJSA-N 2 2 294.399 0.970 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC000770415475 581742182 /nfs/dbraw/zinc/74/21/82/581742182.db2.gz DTRZWJZDUCKYRT-GFCCVEGCSA-N 2 2 287.367 0.310 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC000770415475 581742185 /nfs/dbraw/zinc/74/21/85/581742185.db2.gz DTRZWJZDUCKYRT-GFCCVEGCSA-N 2 2 287.367 0.310 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cnco3)C2)CC1 ZINC000759082558 581782002 /nfs/dbraw/zinc/78/20/02/581782002.db2.gz HOACFBLNJGKMBQ-LLVKDONJSA-N 2 2 278.356 0.573 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cnco3)C2)CC1 ZINC000759082558 581782004 /nfs/dbraw/zinc/78/20/04/581782004.db2.gz HOACFBLNJGKMBQ-LLVKDONJSA-N 2 2 278.356 0.573 20 0 CCADLP C[C@@H]1C[NH+]=C(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)S1 ZINC000744606880 581845910 /nfs/dbraw/zinc/84/59/10/581845910.db2.gz SDFVFFMSKTZGDQ-NEPJUHHUSA-N 2 2 296.440 0.716 20 0 CCADLP C[C@@H]1C[NH+]=C(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)S1 ZINC000744606880 581845915 /nfs/dbraw/zinc/84/59/15/581845915.db2.gz SDFVFFMSKTZGDQ-NEPJUHHUSA-N 2 2 296.440 0.716 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)N(C)CC[NH+]2CCCC2)CCO1 ZINC000733038400 581860032 /nfs/dbraw/zinc/86/00/32/581860032.db2.gz IAAVIDJRFOEASE-CQSZACIVSA-N 2 2 298.431 0.444 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)N(C)CC[NH+]2CCCC2)CCO1 ZINC000733038400 581860036 /nfs/dbraw/zinc/86/00/36/581860036.db2.gz IAAVIDJRFOEASE-CQSZACIVSA-N 2 2 298.431 0.444 20 0 CCADLP CCCCCC[N@H+](C)CC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000747113682 581932603 /nfs/dbraw/zinc/93/26/03/581932603.db2.gz ZICQYXBSDQGFSR-HNNXBMFYSA-N 2 2 296.459 0.615 20 0 CCADLP CCCCCC[N@@H+](C)CC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000747113682 581932605 /nfs/dbraw/zinc/93/26/05/581932605.db2.gz ZICQYXBSDQGFSR-HNNXBMFYSA-N 2 2 296.459 0.615 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000747116333 581933149 /nfs/dbraw/zinc/93/31/49/581933149.db2.gz OXCHHUDODNWCAG-AWEZNQCLSA-N 2 2 291.399 0.088 20 0 CCADLP C[C@H](CNC(=O)CC[NH+]1CCOCC1)Cn1cc[nH+]c1 ZINC000747400360 581938990 /nfs/dbraw/zinc/93/89/90/581938990.db2.gz HVGXPEJQIWIVEL-CYBMUJFWSA-N 2 2 280.372 0.358 20 0 CCADLP C[C@@H]1C[NH+](CCC[NH2+]C2CCN(C=O)CC2)C[C@@H](C)O1 ZINC000774107967 581960165 /nfs/dbraw/zinc/96/01/65/581960165.db2.gz CVYPZTDJSOMPGY-ZIAGYGMSSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CCN(C=O)CC1 ZINC000774226512 581966131 /nfs/dbraw/zinc/96/61/31/581966131.db2.gz QPVIQAVOEARNEX-FZMZJTMJSA-N 2 2 251.374 0.680 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CCN(C=O)CC1 ZINC000774226512 581966132 /nfs/dbraw/zinc/96/61/32/581966132.db2.gz QPVIQAVOEARNEX-FZMZJTMJSA-N 2 2 251.374 0.680 20 0 CCADLP COC(=O)c1cn(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)nn1 ZINC000738157671 582025630 /nfs/dbraw/zinc/02/56/30/582025630.db2.gz IJLLDBIGOMUZDX-LLVKDONJSA-N 2 2 290.327 0.556 20 0 CCADLP COC(=O)c1cn(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)nn1 ZINC000738157671 582025633 /nfs/dbraw/zinc/02/56/33/582025633.db2.gz IJLLDBIGOMUZDX-LLVKDONJSA-N 2 2 290.327 0.556 20 0 CCADLP CCN1C(=O)CN(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000738159215 582025760 /nfs/dbraw/zinc/02/57/60/582025760.db2.gz RCRZZGABZDWJCY-GFCCVEGCSA-N 2 2 291.355 0.762 20 0 CCADLP CCN1C(=O)CN(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000738159215 582025763 /nfs/dbraw/zinc/02/57/63/582025763.db2.gz RCRZZGABZDWJCY-GFCCVEGCSA-N 2 2 291.355 0.762 20 0 CCADLP CCOCCO[C@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000750261686 582039668 /nfs/dbraw/zinc/03/96/68/582039668.db2.gz GJTRLTKHKPVWJA-GJZGRUSLSA-N 2 2 286.416 0.571 20 0 CCADLP CCOCCO[C@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000750261686 582039670 /nfs/dbraw/zinc/03/96/70/582039670.db2.gz GJTRLTKHKPVWJA-GJZGRUSLSA-N 2 2 286.416 0.571 20 0 CCADLP CS(=O)(=O)c1ccccc1CC[NH2+][C@@H]1CC[NH2+]C1 ZINC000925830415 617190063 /nfs/dbraw/zinc/19/00/63/617190063.db2.gz QTEBHYDQFNSAES-GFCCVEGCSA-N 2 2 268.382 0.584 20 0 CCADLP c1cc(-c2nn[nH]n2)sc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000826515267 608859574 /nfs/dbraw/zinc/85/95/74/608859574.db2.gz SQXHELBXIOMXND-RKDXNWHRSA-N 2 2 276.369 0.579 20 0 CCADLP c1cc(-c2nn[nH]n2)sc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000826515265 608859582 /nfs/dbraw/zinc/85/95/82/608859582.db2.gz SQXHELBXIOMXND-DTORHVGOSA-N 2 2 276.369 0.579 20 0 CCADLP c1cc(-c2nn[nH]n2)sc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000826515265 608859585 /nfs/dbraw/zinc/85/95/85/608859585.db2.gz SQXHELBXIOMXND-DTORHVGOSA-N 2 2 276.369 0.579 20 0 CCADLP CC(C)(C)CC[C@H]([NH3+])C[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000904376622 613915315 /nfs/dbraw/zinc/91/53/15/613915315.db2.gz VIQDCPRAEFFQHD-NWDGAFQWSA-N 2 2 291.461 0.764 20 0 CCADLP CC(C)(O)C[C@@H](O)C[NH2+]CCCCn1cc[nH+]c1 ZINC000872201716 614200857 /nfs/dbraw/zinc/20/08/57/614200857.db2.gz IDPTWQXQIYAHLL-GFCCVEGCSA-N 2 2 255.362 0.775 20 0 CCADLP CC(=O)OC[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000892794040 614225838 /nfs/dbraw/zinc/22/58/38/614225838.db2.gz QOLVKBGAVPQFSS-JSGCOSHPSA-N 2 2 299.415 0.470 20 0 CCADLP CC(=O)OC[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000892794040 614225840 /nfs/dbraw/zinc/22/58/40/614225840.db2.gz QOLVKBGAVPQFSS-JSGCOSHPSA-N 2 2 299.415 0.470 20 0 CCADLP CC(C)[C@H](O)CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000878517390 614257452 /nfs/dbraw/zinc/25/74/52/614257452.db2.gz LBUBGFSRFCHKQO-GFCCVEGCSA-N 2 2 252.362 0.939 20 0 CCADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000876961135 613209571 /nfs/dbraw/zinc/20/95/71/613209571.db2.gz QZMAWFRGQQOVEM-KRAHSUHSSA-N 2 2 295.427 0.624 20 0 CCADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000876961135 613209573 /nfs/dbraw/zinc/20/95/73/613209573.db2.gz QZMAWFRGQQOVEM-KRAHSUHSSA-N 2 2 295.427 0.624 20 0 CCADLP C([NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)[C@@H]1C[NH2+]CCO1 ZINC000925711433 613229973 /nfs/dbraw/zinc/22/99/73/613229973.db2.gz YZOCXQWHPWAMRD-RQJABVFESA-N 2 2 254.374 0.770 20 0 CCADLP C/C(=C/C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C)C[NH+]1CCOCC1 ZINC000901287479 613234795 /nfs/dbraw/zinc/23/47/95/613234795.db2.gz QCWIHXGGLRYJDY-PONMJGQJSA-N 2 2 295.427 0.816 20 0 CCADLP C/C(=C/C(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C)C[NH+]1CCOCC1 ZINC000901287479 613234796 /nfs/dbraw/zinc/23/47/96/613234796.db2.gz QCWIHXGGLRYJDY-PONMJGQJSA-N 2 2 295.427 0.816 20 0 CCADLP C/C(=C/C(=O)NC[C@H](C1CC1)[NH+](C)C)C[NH+]1CCOCC1 ZINC000900283453 613237470 /nfs/dbraw/zinc/23/74/70/613237470.db2.gz RRZJFHYLDRQBMN-VSKPTYQZSA-N 2 2 295.427 0.721 20 0 CCADLP C/C(=C\C(=O)NCCC[NH+](C)C)C[NH+]1CCOCC1 ZINC000899920091 613255779 /nfs/dbraw/zinc/25/57/79/613255779.db2.gz ISJLOBDPKRSJLC-ACCUITESSA-N 2 2 269.389 0.333 20 0 CCADLP CC(C)NC(=O)NCC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931316495 613926132 /nfs/dbraw/zinc/92/61/32/613926132.db2.gz IHHXCLBZGQKNNL-HUUCEWRRSA-N 2 2 282.432 0.968 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000896963065 613930075 /nfs/dbraw/zinc/93/00/75/613930075.db2.gz CUGWQNOWTOOENN-ZIAGYGMSSA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000896963065 613930077 /nfs/dbraw/zinc/93/00/77/613930077.db2.gz CUGWQNOWTOOENN-ZIAGYGMSSA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000130141172 614033280 /nfs/dbraw/zinc/03/32/80/614033280.db2.gz XCCXIVOKNFMQFY-OLZOCXBDSA-N 2 2 294.399 0.793 20 0 CCADLP CC(C)C[N@H+](C)CCCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000869125352 614065892 /nfs/dbraw/zinc/06/58/92/614065892.db2.gz VYYGVBBSWKLSEA-GQCTYLIASA-N 2 2 297.443 0.969 20 0 CCADLP CC(C)C[N@@H+](C)CCCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000869125352 614065893 /nfs/dbraw/zinc/06/58/93/614065893.db2.gz VYYGVBBSWKLSEA-GQCTYLIASA-N 2 2 297.443 0.969 20 0 CCADLP CC(C)C[NH2+]C1(CO)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000912594847 614144075 /nfs/dbraw/zinc/14/40/75/614144075.db2.gz GULKKWZDVDBEJZ-UHFFFAOYSA-N 2 2 294.399 0.551 20 0 CCADLP CC(C)([NH3+])CCNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000891507700 614160546 /nfs/dbraw/zinc/16/05/46/614160546.db2.gz UIALWKLTTWPISV-UHFFFAOYSA-N 2 2 286.420 0.524 20 0 CCADLP CC(C)([NH3+])CCNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000891507700 614160547 /nfs/dbraw/zinc/16/05/47/614160547.db2.gz UIALWKLTTWPISV-UHFFFAOYSA-N 2 2 286.420 0.524 20 0 CCADLP CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](C)C[C@H](C)[NH3+])cc1 ZINC000923411301 614202437 /nfs/dbraw/zinc/20/24/37/614202437.db2.gz QRBRGEWIRIIEDO-FZMZJTMJSA-N 2 2 295.383 0.664 20 0 CCADLP CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](C)C[C@H](C)[NH3+])cc1 ZINC000923411301 614202438 /nfs/dbraw/zinc/20/24/38/614202438.db2.gz QRBRGEWIRIIEDO-FZMZJTMJSA-N 2 2 295.383 0.664 20 0 CCADLP CC(C)(O)C[C@H](O)C[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000872200795 614206705 /nfs/dbraw/zinc/20/67/05/614206705.db2.gz NZVUEPVPNHUGCT-STQMWFEESA-N 2 2 256.390 0.582 20 0 CCADLP CC(C)(O)C[C@H](O)C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000872200795 614206709 /nfs/dbraw/zinc/20/67/09/614206709.db2.gz NZVUEPVPNHUGCT-STQMWFEESA-N 2 2 256.390 0.582 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000911814318 614215482 /nfs/dbraw/zinc/21/54/82/614215482.db2.gz RHILJNVZHCVVSL-NWDGAFQWSA-N 2 2 264.373 0.935 20 0 CCADLP CC(C)[NH+]1CCN(CCC(=O)NCCc2[nH]cc[nH+]2)CC1 ZINC000900646607 614359977 /nfs/dbraw/zinc/35/99/77/614359977.db2.gz GIQXHOBGLBTGPX-UHFFFAOYSA-N 2 2 293.415 0.485 20 0 CCADLP CCC[C@](C)([NH2+]C[C@H]1CC2(C[NH2+]C2)CO1)C(=O)OC ZINC000923377007 614448947 /nfs/dbraw/zinc/44/89/47/614448947.db2.gz QGCDBKKKGUBWGC-YPMHNXCESA-N 2 2 270.373 0.686 20 0 CCADLP CCN(C(=O)NCCCn1cc[nH+]c1)[C@@H]1CC[NH2+]C1 ZINC000887278746 614598124 /nfs/dbraw/zinc/59/81/24/614598124.db2.gz MBQLKPKQXUNERB-GFCCVEGCSA-N 2 2 265.361 0.667 20 0 CCADLP CCN(C(=O)NCC[NH+]1CCC([NH3+])CC1)C(C)C ZINC000903565447 614598922 /nfs/dbraw/zinc/59/89/22/614598922.db2.gz LEWVNIUINPJTND-UHFFFAOYSA-N 2 2 256.394 0.849 20 0 CCADLP CCN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)C1C[NH+](CCOC)C1 ZINC000951749844 614636683 /nfs/dbraw/zinc/63/66/83/614636683.db2.gz IWBVYGMIKAENPL-GXTWGEPZSA-N 2 2 283.416 0.363 20 0 CCADLP CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)C1C[NH+](CCOC)C1 ZINC000951749844 614636685 /nfs/dbraw/zinc/63/66/85/614636685.db2.gz IWBVYGMIKAENPL-GXTWGEPZSA-N 2 2 283.416 0.363 20 0 CCADLP CC1(C)C[N@H+](CCCO)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000977648525 614642448 /nfs/dbraw/zinc/64/24/48/614642448.db2.gz QZBKFVABNLUYPK-GFCCVEGCSA-N 2 2 280.372 0.092 20 0 CCADLP CC1(C)C[N@@H+](CCCO)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000977648525 614642451 /nfs/dbraw/zinc/64/24/51/614642451.db2.gz QZBKFVABNLUYPK-GFCCVEGCSA-N 2 2 280.372 0.092 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000905258487 614683666 /nfs/dbraw/zinc/68/36/66/614683666.db2.gz WVMRMTUQNCXHQD-RRFJBIMHSA-N 2 2 286.416 0.353 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000905258487 614683668 /nfs/dbraw/zinc/68/36/68/614683668.db2.gz WVMRMTUQNCXHQD-RRFJBIMHSA-N 2 2 286.416 0.353 20 0 CCADLP CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000972574131 614692407 /nfs/dbraw/zinc/69/24/07/614692407.db2.gz XABPNFNFUHEYNZ-HNNXBMFYSA-N 2 2 292.383 0.666 20 0 CCADLP CCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000972574131 614692410 /nfs/dbraw/zinc/69/24/10/614692410.db2.gz XABPNFNFUHEYNZ-HNNXBMFYSA-N 2 2 292.383 0.666 20 0 CCADLP CCC1([NH+]2CCC2)CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923426345 614706186 /nfs/dbraw/zinc/70/61/86/614706186.db2.gz SMRGMQZKAWQASG-IHRRRGAJSA-N 3 2 267.417 0.787 20 0 CCADLP CC1(C)C[NH2+]C[C@@H]1Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000900022518 614707839 /nfs/dbraw/zinc/70/78/39/614707839.db2.gz UXQGWPANWQDVKY-NSHDSACASA-N 2 2 277.372 0.723 20 0 CCADLP CC1(C)NC(=O)N(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)C1=O ZINC000903468295 614805293 /nfs/dbraw/zinc/80/52/93/614805293.db2.gz KDUKXCYGMAXFQU-SNVBAGLBSA-N 2 2 280.372 0.191 20 0 CCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925842779 614807167 /nfs/dbraw/zinc/80/71/67/614807167.db2.gz NOEBZKMDTQJCIF-AWEZNQCLSA-N 3 2 268.449 0.792 20 0 CCADLP CC1(C)OC[C@H](C[NH2+]C[C@H]2CCC[N@@H+]2CCCO)O1 ZINC000894668325 614839291 /nfs/dbraw/zinc/83/92/91/614839291.db2.gz QKFSDOGXBAXVIW-OLZOCXBDSA-N 2 2 272.389 0.574 20 0 CCADLP CC1(C)OC[C@H](C[NH2+]C[C@H]2CCC[N@H+]2CCCO)O1 ZINC000894668325 614839293 /nfs/dbraw/zinc/83/92/93/614839293.db2.gz QKFSDOGXBAXVIW-OLZOCXBDSA-N 2 2 272.389 0.574 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2ncccn2)C1 ZINC000886688733 614866610 /nfs/dbraw/zinc/86/66/10/614866610.db2.gz ZDROKRFHHNSCIG-KGLIPLIRSA-N 2 2 278.400 0.969 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2ncccn2)C1 ZINC000886688733 614866612 /nfs/dbraw/zinc/86/66/12/614866612.db2.gz ZDROKRFHHNSCIG-KGLIPLIRSA-N 2 2 278.400 0.969 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886688733 614866613 /nfs/dbraw/zinc/86/66/13/614866613.db2.gz ZDROKRFHHNSCIG-KGLIPLIRSA-N 2 2 278.400 0.969 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886688733 614866615 /nfs/dbraw/zinc/86/66/15/614866615.db2.gz ZDROKRFHHNSCIG-KGLIPLIRSA-N 2 2 278.400 0.969 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1C(=O)NCC1(CC)CC ZINC000933284273 614868126 /nfs/dbraw/zinc/86/81/26/614868126.db2.gz GCDJFBDVSXWYMX-NEPJUHHUSA-N 2 2 271.405 0.193 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1C(=O)NCC1(CC)CC ZINC000933284273 614868127 /nfs/dbraw/zinc/86/81/27/614868127.db2.gz GCDJFBDVSXWYMX-NEPJUHHUSA-N 2 2 271.405 0.193 20 0 CCADLP CCCNc1cc(NCCN2CC[NH+](C)CC2)nc[nH+]1 ZINC000865421443 614921656 /nfs/dbraw/zinc/92/16/56/614921656.db2.gz GLFWHOICVLOHLZ-UHFFFAOYSA-N 2 2 278.404 0.958 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913446350 614988199 /nfs/dbraw/zinc/98/81/99/614988199.db2.gz YUWNNENOMPQRSS-GFCCVEGCSA-N 2 2 265.361 0.224 20 0 CCADLP CC[NH+](CC)CCCN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000925277320 614991335 /nfs/dbraw/zinc/99/13/35/614991335.db2.gz MYGGXSONKOOIPI-LBPRGKRZSA-N 2 2 293.371 0.605 20 0 CCADLP CC[NH+](CC)CCCN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000925277320 614991337 /nfs/dbraw/zinc/99/13/37/614991337.db2.gz MYGGXSONKOOIPI-LBPRGKRZSA-N 2 2 293.371 0.605 20 0 CCADLP CC[N@H+](CC[NH3+])C[C@@H](O)COc1ccccc1F ZINC000923400449 615047125 /nfs/dbraw/zinc/04/71/25/615047125.db2.gz AXIDDAALZGIAMR-LLVKDONJSA-N 2 2 256.321 0.846 20 0 CCADLP CC[N@@H+](CC[NH3+])C[C@@H](O)COc1ccccc1F ZINC000923400449 615047126 /nfs/dbraw/zinc/04/71/26/615047126.db2.gz AXIDDAALZGIAMR-LLVKDONJSA-N 2 2 256.321 0.846 20 0 CCADLP CC[NH2+]CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000911687515 615085780 /nfs/dbraw/zinc/08/57/80/615085780.db2.gz HUNKMKRVTWSFAR-LLVKDONJSA-N 2 2 250.346 0.561 20 0 CCADLP CC[NH+]1CC([C@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000970012771 615095635 /nfs/dbraw/zinc/09/56/35/615095635.db2.gz OLKGPZCZBJAHBN-JTQLQIEISA-N 2 2 280.372 0.806 20 0 CCADLP CC[NH2+]C[C@@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000980823246 615096224 /nfs/dbraw/zinc/09/62/24/615096224.db2.gz UUXGWMIPEPGSEF-RYUDHWBXSA-N 2 2 250.346 0.730 20 0 CCADLP CC[N@@H+]1CCCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000981327215 615118642 /nfs/dbraw/zinc/11/86/42/615118642.db2.gz PDRUOAKWEQCXBO-CQSZACIVSA-N 2 2 293.415 0.368 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000969135254 615119336 /nfs/dbraw/zinc/11/93/36/615119336.db2.gz FIANQJRFMKHEAQ-VXGBXAGGSA-N 2 2 262.357 0.656 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[NH+]1CCSCC1 ZINC000849005844 615131786 /nfs/dbraw/zinc/13/17/86/615131786.db2.gz RQGJNPQBPSDZNI-CYBMUJFWSA-N 3 2 299.488 0.633 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[NH+]1CCSCC1 ZINC000849005844 615131787 /nfs/dbraw/zinc/13/17/87/615131787.db2.gz RQGJNPQBPSDZNI-CYBMUJFWSA-N 3 2 299.488 0.633 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1CNC(=S)NCCn1cc[nH+]c1 ZINC000043563799 615133284 /nfs/dbraw/zinc/13/32/84/615133284.db2.gz TYSZRTRHTWJFFD-GFCCVEGCSA-N 2 2 281.429 0.832 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CNC(=S)NCCn1cc[nH+]c1 ZINC000043563799 615133286 /nfs/dbraw/zinc/13/32/86/615133286.db2.gz TYSZRTRHTWJFFD-GFCCVEGCSA-N 2 2 281.429 0.832 20 0 CCADLP CC[NH+]1CCN(CC(=O)NCc2[nH]c(C)c(C)[nH+]2)CC1 ZINC000896915774 615155229 /nfs/dbraw/zinc/15/52/29/615155229.db2.gz PZFBDNNKFHXZNT-UHFFFAOYSA-N 2 2 279.388 0.280 20 0 CCADLP CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)C1C[NH+](CC2CC2)C1 ZINC000957411022 615169094 /nfs/dbraw/zinc/16/90/94/615169094.db2.gz LCMHNTYJVCWDBB-OAHLLOKOSA-N 2 2 295.427 0.650 20 0 CCADLP CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)C1C[NH+](CC2CC2)C1 ZINC000957411022 615169095 /nfs/dbraw/zinc/16/90/95/615169095.db2.gz LCMHNTYJVCWDBB-OAHLLOKOSA-N 2 2 295.427 0.650 20 0 CCADLP CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000972683129 615191040 /nfs/dbraw/zinc/19/10/40/615191040.db2.gz LUOKEMGVOSMBJM-OAHLLOKOSA-N 2 2 292.383 0.515 20 0 CCADLP CC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000972683129 615191041 /nfs/dbraw/zinc/19/10/41/615191041.db2.gz LUOKEMGVOSMBJM-OAHLLOKOSA-N 2 2 292.383 0.515 20 0 CCADLP CC[N@@H+]1CC[C@@H](CNC(=O)/C=C(/C)C[NH+]2CCOCC2)C1 ZINC000900307575 615204061 /nfs/dbraw/zinc/20/40/61/615204061.db2.gz MYQURTSSQRBJIT-LTBFUDJGSA-N 2 2 295.427 0.723 20 0 CCADLP CC[N@H+]1CC[C@@H](CNC(=O)/C=C(/C)C[NH+]2CCOCC2)C1 ZINC000900307575 615204064 /nfs/dbraw/zinc/20/40/64/615204064.db2.gz MYQURTSSQRBJIT-LTBFUDJGSA-N 2 2 295.427 0.723 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000948089584 615214480 /nfs/dbraw/zinc/21/44/80/615214480.db2.gz CUHRHCWWMUMGQB-NWDGAFQWSA-N 2 2 250.346 0.872 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000948089584 615214481 /nfs/dbraw/zinc/21/44/81/615214481.db2.gz CUHRHCWWMUMGQB-NWDGAFQWSA-N 2 2 250.346 0.872 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000922156164 615239840 /nfs/dbraw/zinc/23/98/40/615239840.db2.gz LJJVNXFETNHCPM-JWAFFJSPSA-N 2 2 281.400 0.475 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000922156164 615239843 /nfs/dbraw/zinc/23/98/43/615239843.db2.gz LJJVNXFETNHCPM-JWAFFJSPSA-N 2 2 281.400 0.475 20 0 CCADLP CCOCCCNC(=O)C1CC[NH+](C[C@H]2CCC[NH2+]2)CC1 ZINC000903431568 615243276 /nfs/dbraw/zinc/24/32/76/615243276.db2.gz QAPYITXLUWGOEH-OAHLLOKOSA-N 2 2 297.443 0.993 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)NCCc1cn(C)c[nH+]1 ZINC000883686744 615250359 /nfs/dbraw/zinc/25/03/59/615250359.db2.gz QQSAQWARGZSULI-GFCCVEGCSA-N 2 2 265.361 0.356 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)NCCc1cn(C)c[nH+]1 ZINC000883686744 615250361 /nfs/dbraw/zinc/25/03/61/615250361.db2.gz QQSAQWARGZSULI-GFCCVEGCSA-N 2 2 265.361 0.356 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000925409964 615252845 /nfs/dbraw/zinc/25/28/45/615252845.db2.gz GUNZACYZCKFCBJ-ZDUSSCGKSA-N 2 2 284.404 0.054 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000925409964 615252847 /nfs/dbraw/zinc/25/28/47/615252847.db2.gz GUNZACYZCKFCBJ-ZDUSSCGKSA-N 2 2 284.404 0.054 20 0 CCADLP CCOC(=O)[C@@]1(F)C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@@H]1CC ZINC000923426789 615332496 /nfs/dbraw/zinc/33/24/96/615332496.db2.gz GAFJXXLDJRBFMY-CUOUOBHDSA-N 2 2 288.363 0.450 20 0 CCADLP CCOC(=O)[C@@]1(F)C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@@H]1CC ZINC000923426789 615332501 /nfs/dbraw/zinc/33/25/01/615332501.db2.gz GAFJXXLDJRBFMY-CUOUOBHDSA-N 2 2 288.363 0.450 20 0 CCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC000901272451 615337693 /nfs/dbraw/zinc/33/76/93/615337693.db2.gz QQWOUZITMXLYJO-WDEREUQCSA-N 2 2 250.346 0.893 20 0 CCADLP CC[N@H+]1C[C@@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC000901272451 615337695 /nfs/dbraw/zinc/33/76/95/615337695.db2.gz QQWOUZITMXLYJO-WDEREUQCSA-N 2 2 250.346 0.893 20 0 CCADLP CC[N@@H+]1C[C@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC000901272449 615392732 /nfs/dbraw/zinc/39/27/32/615392732.db2.gz QQWOUZITMXLYJO-QWRGUYRKSA-N 2 2 250.346 0.893 20 0 CCADLP CC[N@H+]1C[C@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC000901272449 615392734 /nfs/dbraw/zinc/39/27/34/615392734.db2.gz QQWOUZITMXLYJO-QWRGUYRKSA-N 2 2 250.346 0.893 20 0 CCADLP CCO[C@@H](CNC(=O)NCCn1cc[nH+]c1)C[NH+](C)C ZINC000913900478 615406748 /nfs/dbraw/zinc/40/67/48/615406748.db2.gz WNISSNSIOUMSQR-LBPRGKRZSA-N 2 2 283.376 0.149 20 0 CCADLP CCO[C@@H](C[NH2+]Cc1ccc(=O)[nH]c1)C[NH+](C)C ZINC000922755969 615410163 /nfs/dbraw/zinc/41/01/63/615410163.db2.gz JPBCAUYCKIPMGN-LBPRGKRZSA-N 2 2 253.346 0.844 20 0 CCADLP CCO[C@@H](CNc1cc(NC)[nH+]cn1)C[NH+](C)C ZINC000896107716 615411088 /nfs/dbraw/zinc/41/10/88/615411088.db2.gz BCESUWYMDXODRD-JTQLQIEISA-N 2 2 253.350 0.897 20 0 CCADLP CCO[C@@H](CNc1cc(NC)nc[nH+]1)C[NH+](C)C ZINC000896107716 615411090 /nfs/dbraw/zinc/41/10/90/615411090.db2.gz BCESUWYMDXODRD-JTQLQIEISA-N 2 2 253.350 0.897 20 0 CCADLP CC[C@@H](C)C[NH+]1CC(N(CC)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000949830204 615434871 /nfs/dbraw/zinc/43/48/71/615434871.db2.gz GBKFVUQJIHVUCH-UKRRQHHQSA-N 2 2 297.443 0.896 20 0 CCADLP CC[C@@H](C)C[NH+]1CC(N(CC)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000949830204 615434872 /nfs/dbraw/zinc/43/48/72/615434872.db2.gz GBKFVUQJIHVUCH-UKRRQHHQSA-N 2 2 297.443 0.896 20 0 CCADLP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)[C@H]1OC ZINC000893706581 615447935 /nfs/dbraw/zinc/44/79/35/615447935.db2.gz ILNIYAZGFUOVMJ-CIQGVGRVSA-N 2 2 265.357 0.980 20 0 CCADLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905122049 615474595 /nfs/dbraw/zinc/47/45/95/615474595.db2.gz JUDXAFDFYJFDHH-STQMWFEESA-N 2 2 256.390 0.726 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)C[NH+](C)C ZINC000922478342 615478587 /nfs/dbraw/zinc/47/85/87/615478587.db2.gz MCEPBVLUADKBQM-STQMWFEESA-N 2 2 286.420 0.347 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C(C)(C)C[NH3+] ZINC000877432266 615566731 /nfs/dbraw/zinc/56/67/31/615566731.db2.gz CPICOKZNOKZHFK-LLVKDONJSA-N 2 2 257.378 0.198 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C(C)(C)C[NH3+] ZINC000877432266 615566732 /nfs/dbraw/zinc/56/67/32/615566732.db2.gz CPICOKZNOKZHFK-LLVKDONJSA-N 2 2 257.378 0.198 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000877432726 615568316 /nfs/dbraw/zinc/56/83/16/615568316.db2.gz FZRMQYVEPPADAB-AGIUHOORSA-N 2 2 283.416 0.587 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000877432726 615568317 /nfs/dbraw/zinc/56/83/17/615568317.db2.gz FZRMQYVEPPADAB-AGIUHOORSA-N 2 2 283.416 0.587 20 0 CCADLP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000866665388 615609335 /nfs/dbraw/zinc/60/93/35/615609335.db2.gz CLLJVCZBVGEDHZ-UONOGXRCSA-N 2 2 279.384 0.964 20 0 CCADLP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000866665388 615609336 /nfs/dbraw/zinc/60/93/36/615609336.db2.gz CLLJVCZBVGEDHZ-UONOGXRCSA-N 2 2 279.384 0.964 20 0 CCADLP CCn1c[nH+]c2c1CCN(C[C@@H](O)C[N@H+](C)C(C)C)C2 ZINC000933254978 615629459 /nfs/dbraw/zinc/62/94/59/615629459.db2.gz GKUWMAFRBZDVSU-ZDUSSCGKSA-N 2 2 280.416 0.962 20 0 CCADLP CCn1c[nH+]c2c1CCN(C[C@@H](O)C[N@@H+](C)C(C)C)C2 ZINC000933254978 615629461 /nfs/dbraw/zinc/62/94/61/615629461.db2.gz GKUWMAFRBZDVSU-ZDUSSCGKSA-N 2 2 280.416 0.962 20 0 CCADLP CCn1nc(C)c(C[NH+]2CCC(O)(C[NH+](C)C)CC2)n1 ZINC000931480891 615652577 /nfs/dbraw/zinc/65/25/77/615652577.db2.gz LJIBSQDEVKLAMC-UHFFFAOYSA-N 2 2 281.404 0.495 20 0 CCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865907543 615710107 /nfs/dbraw/zinc/71/01/07/615710107.db2.gz TUAZLGUAEAFIJB-LLYBFZRZSA-N 2 2 295.427 0.865 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)C[N@H+](C)C1CCC1 ZINC000928646333 615714929 /nfs/dbraw/zinc/71/49/29/615714929.db2.gz JPTMLLIMXZPHLT-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)C[N@@H+](C)C1CCC1 ZINC000928646333 615714930 /nfs/dbraw/zinc/71/49/30/615714930.db2.gz JPTMLLIMXZPHLT-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@H](CO)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000870667194 615731530 /nfs/dbraw/zinc/73/15/30/615731530.db2.gz UIMZYZUCSJYIKB-GFCCVEGCSA-N 2 2 292.383 0.790 20 0 CCADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923323031 615779934 /nfs/dbraw/zinc/77/99/34/615779934.db2.gz OZJYWJGOQLFTOU-XUXIUFHCSA-N 3 2 278.400 0.933 20 0 CCADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923323031 615779936 /nfs/dbraw/zinc/77/99/36/615779936.db2.gz OZJYWJGOQLFTOU-XUXIUFHCSA-N 3 2 278.400 0.933 20 0 CCADLP CN(C)C(=O)c1cccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)c1 ZINC000904358817 615836549 /nfs/dbraw/zinc/83/65/49/615836549.db2.gz SRJCYJYTXRECDY-HNNXBMFYSA-N 2 2 291.395 0.857 20 0 CCADLP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000928078273 615843896 /nfs/dbraw/zinc/84/38/96/615843896.db2.gz DTZRAIFDJASXCU-VXGBXAGGSA-N 2 2 283.441 0.777 20 0 CCADLP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000928078273 615843899 /nfs/dbraw/zinc/84/38/99/615843899.db2.gz DTZRAIFDJASXCU-VXGBXAGGSA-N 2 2 283.441 0.777 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1 ZINC000877958574 615863641 /nfs/dbraw/zinc/86/36/41/615863641.db2.gz MJHICZMGQKZDGN-ILXRZTDVSA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925491129 615897287 /nfs/dbraw/zinc/89/72/87/615897287.db2.gz DIEYUXOFRWXJRJ-OAHLLOKOSA-N 3 2 282.476 0.990 20 0 CCADLP C[NH+](C)CCNC(=S)NC(C)(C)C[NH+]1CCOCC1 ZINC000840862180 615903591 /nfs/dbraw/zinc/90/35/91/615903591.db2.gz UOZWVJSIYJHVQQ-UHFFFAOYSA-N 2 2 288.461 0.123 20 0 CCADLP C[NH+](C)CC[C@@H](N)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000870979761 615911426 /nfs/dbraw/zinc/91/14/26/615911426.db2.gz RIKPBDXAVZREJU-CABCVRRESA-N 2 2 290.411 0.568 20 0 CCADLP C[NH+](C)CC[C@@H](N)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000870979761 615911428 /nfs/dbraw/zinc/91/14/28/615911428.db2.gz RIKPBDXAVZREJU-CABCVRRESA-N 2 2 290.411 0.568 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000877432712 615927249 /nfs/dbraw/zinc/92/72/49/615927249.db2.gz FXCJGJLHXCFKNW-KBPBESRZSA-N 2 2 297.443 0.992 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000877432712 615927251 /nfs/dbraw/zinc/92/72/51/615927251.db2.gz FXCJGJLHXCFKNW-KBPBESRZSA-N 2 2 297.443 0.992 20 0 CCADLP Cn1cc(C[NH2+]C[C@](C)(O)C[NH+](C)C)c(C2CC2)n1 ZINC000893179303 615936183 /nfs/dbraw/zinc/93/61/83/615936183.db2.gz OOXLVPLCIDUVJS-AWEZNQCLSA-N 2 2 266.389 0.700 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)Cc1[nH]cc[nH+]1 ZINC000830752974 615980523 /nfs/dbraw/zinc/98/05/23/615980523.db2.gz GAXDDMSXRPVJLQ-JHJVBQTASA-N 2 2 292.383 0.662 20 0 CCADLP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000957325799 615993460 /nfs/dbraw/zinc/99/34/60/615993460.db2.gz XSMXSELCDOEITP-KBPBESRZSA-N 2 2 283.416 0.243 20 0 CCADLP C[NH+](C)[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC000912601665 615995513 /nfs/dbraw/zinc/99/55/13/615995513.db2.gz RBWCYCIVSDHCNF-MNOVXSKESA-N 2 2 262.357 0.941 20 0 CCADLP CN(C)c1cc(Cn2cc(CCC[NH3+])nn2)cc[nH+]1 ZINC000881365843 616006273 /nfs/dbraw/zinc/00/62/73/616006273.db2.gz LVGAVJNFWJMYAC-UHFFFAOYSA-N 2 2 260.345 0.679 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=[NH2+])NCC2CC2)n1C ZINC000887353979 616035755 /nfs/dbraw/zinc/03/57/55/616035755.db2.gz LITJUEGTIXUIQU-UHFFFAOYSA-N 2 2 250.350 0.510 20 0 CCADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)C[N@H+](C)CC(C)(C)C ZINC000898892999 616048965 /nfs/dbraw/zinc/04/89/65/616048965.db2.gz XDKMSIHLYDCBFE-LLVKDONJSA-N 2 2 282.388 0.548 20 0 CCADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000898892999 616048966 /nfs/dbraw/zinc/04/89/66/616048966.db2.gz XDKMSIHLYDCBFE-LLVKDONJSA-N 2 2 282.388 0.548 20 0 CCADLP C[N@H+](CC(=O)N[C@H]1CCn2c[nH+]cc21)[C@H]1CCSC1 ZINC000857979903 616049234 /nfs/dbraw/zinc/04/92/34/616049234.db2.gz GOJZOUDJRYFNNA-QWRGUYRKSA-N 2 2 280.397 0.881 20 0 CCADLP C[N@@H+](CC(=O)N[C@H]1CCn2c[nH+]cc21)[C@H]1CCSC1 ZINC000857979903 616049235 /nfs/dbraw/zinc/04/92/35/616049235.db2.gz GOJZOUDJRYFNNA-QWRGUYRKSA-N 2 2 280.397 0.881 20 0 CCADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000799126039 616060397 /nfs/dbraw/zinc/06/03/97/616060397.db2.gz YFGYNKRKDBIUHF-CHWSQXEVSA-N 2 2 279.384 0.455 20 0 CCADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000799126039 616060398 /nfs/dbraw/zinc/06/03/98/616060398.db2.gz YFGYNKRKDBIUHF-CHWSQXEVSA-N 2 2 279.384 0.455 20 0 CCADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000799126039 616060399 /nfs/dbraw/zinc/06/03/99/616060399.db2.gz YFGYNKRKDBIUHF-CHWSQXEVSA-N 2 2 279.384 0.455 20 0 CCADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000799126039 616060400 /nfs/dbraw/zinc/06/04/00/616060400.db2.gz YFGYNKRKDBIUHF-CHWSQXEVSA-N 2 2 279.384 0.455 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)CC1 ZINC000929657806 616075720 /nfs/dbraw/zinc/07/57/20/616075720.db2.gz PDNNBVGOBANGFN-KBMXLJTQSA-N 2 2 298.427 0.569 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)CC1 ZINC000929657806 616075721 /nfs/dbraw/zinc/07/57/21/616075721.db2.gz PDNNBVGOBANGFN-KBMXLJTQSA-N 2 2 298.427 0.569 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876878231 616089001 /nfs/dbraw/zinc/08/90/01/616089001.db2.gz VXXINVNGUKYJSQ-WSNITJDQSA-N 2 2 281.400 0.333 20 0 CCADLP C[N@H+](Cc1nc(C2([NH3+])CC2)no1)[C@@H]1CCSC1 ZINC000905326608 616102301 /nfs/dbraw/zinc/10/23/01/616102301.db2.gz RRARVPCESXYYBS-MRVPVSSYSA-N 2 2 254.359 0.955 20 0 CCADLP C[N@@H+](Cc1nc(C2([NH3+])CC2)no1)[C@@H]1CCSC1 ZINC000905326608 616102302 /nfs/dbraw/zinc/10/23/02/616102302.db2.gz RRARVPCESXYYBS-MRVPVSSYSA-N 2 2 254.359 0.955 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@H](O)Cc1ccccc1F)C1CC1 ZINC000905475551 616132077 /nfs/dbraw/zinc/13/20/77/616132077.db2.gz VEDABJSCZBJQEE-CABCVRRESA-N 2 2 296.386 0.774 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H](O)Cc1ccccc1F)C1CC1 ZINC000905475551 616132078 /nfs/dbraw/zinc/13/20/78/616132078.db2.gz VEDABJSCZBJQEE-CABCVRRESA-N 2 2 296.386 0.774 20 0 CCADLP CN(C[C@@H]1CCc2[nH+]ccn2C1)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925417622 616145757 /nfs/dbraw/zinc/14/57/57/616145757.db2.gz OQYIZUBWFXKWNS-QWHCGFSZSA-N 2 2 291.399 0.791 20 0 CCADLP CN(C[C@@H]1CCc2[nH+]ccn2C1)C(=O)NC[C@H]1CC[N@H+]1C ZINC000925417622 616145758 /nfs/dbraw/zinc/14/57/58/616145758.db2.gz OQYIZUBWFXKWNS-QWHCGFSZSA-N 2 2 291.399 0.791 20 0 CCADLP C[N@H+](C[C@H]1CCS(=O)(=O)C1)C[C@]1(C)CCC[NH2+]C1 ZINC000904340335 616162012 /nfs/dbraw/zinc/16/20/12/616162012.db2.gz HKQJYYYEOQOXNP-CHWSQXEVSA-N 2 2 274.430 0.743 20 0 CCADLP C[N@@H+](C[C@H]1CCS(=O)(=O)C1)C[C@]1(C)CCC[NH2+]C1 ZINC000904340335 616162013 /nfs/dbraw/zinc/16/20/13/616162013.db2.gz HKQJYYYEOQOXNP-CHWSQXEVSA-N 2 2 274.430 0.743 20 0 CCADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCOC[C@@]2(C)C2CC2)CC1 ZINC000934475417 616173029 /nfs/dbraw/zinc/17/30/29/616173029.db2.gz MFNJIZDZAJQUQO-INIZCTEOSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC(NC(=O)C[N@H+]2CCOC[C@@]2(C)C2CC2)CC1 ZINC000934475417 616173030 /nfs/dbraw/zinc/17/30/30/616173030.db2.gz MFNJIZDZAJQUQO-INIZCTEOSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC(OCC(=O)N[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000935924947 616175543 /nfs/dbraw/zinc/17/55/43/616175543.db2.gz PJLUKFMAWGIUDU-GFCCVEGCSA-N 2 2 292.383 0.425 20 0 CCADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1cncnc1)CCO2 ZINC000843432023 616177230 /nfs/dbraw/zinc/17/72/30/616177230.db2.gz NNWXZSVKISOORX-UHFFFAOYSA-N 2 2 262.357 0.773 20 0 CCADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cncnc1)CCO2 ZINC000843432023 616177231 /nfs/dbraw/zinc/17/72/31/616177231.db2.gz NNWXZSVKISOORX-UHFFFAOYSA-N 2 2 262.357 0.773 20 0 CCADLP CN(C)c1cc(N2CCOC3(CC[NH+](C)CC3)C2)nc[nH+]1 ZINC000894360867 616177251 /nfs/dbraw/zinc/17/72/51/616177251.db2.gz ZBVBPYLIIPPWFI-UHFFFAOYSA-N 2 2 291.399 0.844 20 0 CCADLP CN(C)c1cc(N2CCOC3(CC[NH+](C)CC3)C2)[nH+]cn1 ZINC000894360867 616177252 /nfs/dbraw/zinc/17/72/52/616177252.db2.gz ZBVBPYLIIPPWFI-UHFFFAOYSA-N 2 2 291.399 0.844 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CC[S@@](C)=O)CC1 ZINC000827905869 616185248 /nfs/dbraw/zinc/18/52/48/616185248.db2.gz BQNJRYMFALCMFE-IFXJQAMLSA-N 2 2 287.473 0.467 20 0 CCADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CC[S@@](C)=O)CC1 ZINC000827905869 616185249 /nfs/dbraw/zinc/18/52/49/616185249.db2.gz BQNJRYMFALCMFE-IFXJQAMLSA-N 2 2 287.473 0.467 20 0 CCADLP CN(C(=O)NCCn1cc[nH+]c1)[C@@H]1CCC[N@H+](C)C1 ZINC000891555254 616188643 /nfs/dbraw/zinc/18/86/43/616188643.db2.gz JJXPUYCDCACELJ-GFCCVEGCSA-N 2 2 265.361 0.619 20 0 CCADLP CN(C(=O)NCCn1cc[nH+]c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000891555254 616188644 /nfs/dbraw/zinc/18/86/44/616188644.db2.gz JJXPUYCDCACELJ-GFCCVEGCSA-N 2 2 265.361 0.619 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923421815 616199310 /nfs/dbraw/zinc/19/93/10/616199310.db2.gz OSBBGJSHNKURLB-MELADBBJSA-N 3 2 265.401 0.533 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923421815 616199311 /nfs/dbraw/zinc/19/93/11/616199311.db2.gz OSBBGJSHNKURLB-MELADBBJSA-N 3 2 265.401 0.533 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923421815 616199312 /nfs/dbraw/zinc/19/93/12/616199312.db2.gz OSBBGJSHNKURLB-MELADBBJSA-N 3 2 265.401 0.533 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923421815 616199313 /nfs/dbraw/zinc/19/93/13/616199313.db2.gz OSBBGJSHNKURLB-MELADBBJSA-N 3 2 265.401 0.533 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H](O)COC[C@@H]1CCCO1 ZINC000880129856 616199631 /nfs/dbraw/zinc/19/96/31/616199631.db2.gz CFRPRRPQFOJCTL-FXUDXRNXSA-N 2 2 298.427 0.711 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H](O)COC[C@@H]1CCCO1 ZINC000880129856 616199632 /nfs/dbraw/zinc/19/96/32/616199632.db2.gz CFRPRRPQFOJCTL-FXUDXRNXSA-N 2 2 298.427 0.711 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H](O)COC[C@@H]1CCCO1 ZINC000880129856 616199633 /nfs/dbraw/zinc/19/96/33/616199633.db2.gz CFRPRRPQFOJCTL-FXUDXRNXSA-N 2 2 298.427 0.711 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H](O)COC[C@@H]1CCCO1 ZINC000880129856 616199634 /nfs/dbraw/zinc/19/96/34/616199634.db2.gz CFRPRRPQFOJCTL-FXUDXRNXSA-N 2 2 298.427 0.711 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H](O)C1(O)CCCC1 ZINC000931622843 616199658 /nfs/dbraw/zinc/19/96/58/616199658.db2.gz SWIBZPQCRYRGFZ-BFHYXJOUSA-N 2 2 268.401 0.821 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H](O)C1(O)CCCC1 ZINC000931622843 616199659 /nfs/dbraw/zinc/19/96/59/616199659.db2.gz SWIBZPQCRYRGFZ-BFHYXJOUSA-N 2 2 268.401 0.821 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H](O)C1(O)CCCC1 ZINC000931622843 616199660 /nfs/dbraw/zinc/19/96/60/616199660.db2.gz SWIBZPQCRYRGFZ-BFHYXJOUSA-N 2 2 268.401 0.821 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H](O)C1(O)CCCC1 ZINC000931622843 616199661 /nfs/dbraw/zinc/19/96/61/616199661.db2.gz SWIBZPQCRYRGFZ-BFHYXJOUSA-N 2 2 268.401 0.821 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902365266 616223673 /nfs/dbraw/zinc/22/36/73/616223673.db2.gz YELHQVDCLXRHEU-ZDUSSCGKSA-N 3 2 282.432 0.128 20 0 CCADLP C[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000925141661 616226347 /nfs/dbraw/zinc/22/63/47/616226347.db2.gz UFHRFGCNKWLLFR-QWHCGFSZSA-N 2 2 298.456 0.523 20 0 CCADLP C[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000925141661 616226348 /nfs/dbraw/zinc/22/63/48/616226348.db2.gz UFHRFGCNKWLLFR-QWHCGFSZSA-N 2 2 298.456 0.523 20 0 CCADLP C[N@@H+]1CCN(C[C@@H]([NH3+])CCC(C)(C)C)[C@H](C[NH3+])C1 ZINC000904350200 616242903 /nfs/dbraw/zinc/24/29/03/616242903.db2.gz IGFWCHDOBVBVKN-QWHCGFSZSA-N 3 2 256.438 0.715 20 0 CCADLP C[N@H+]1CCN(C[C@@H]([NH3+])CCC(C)(C)C)[C@H](C[NH3+])C1 ZINC000904350200 616242904 /nfs/dbraw/zinc/24/29/04/616242904.db2.gz IGFWCHDOBVBVKN-QWHCGFSZSA-N 3 2 256.438 0.715 20 0 CCADLP CN1CCOC[C@@H]1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925717394 616248972 /nfs/dbraw/zinc/24/89/72/616248972.db2.gz JKYNWEBBCKDSOZ-STQMWFEESA-N 2 2 253.390 0.581 20 0 CCADLP C[N@@H+]1CC[C@@H](CC(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)C1 ZINC000913458505 616268593 /nfs/dbraw/zinc/26/85/93/616268593.db2.gz PABBUMZHPLSORZ-AAEUAGOBSA-N 2 2 277.372 0.224 20 0 CCADLP C[N@H+]1CC[C@@H](CC(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)C1 ZINC000913458505 616268594 /nfs/dbraw/zinc/26/85/94/616268594.db2.gz PABBUMZHPLSORZ-AAEUAGOBSA-N 2 2 277.372 0.224 20 0 CCADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000900446038 616315811 /nfs/dbraw/zinc/31/58/11/616315811.db2.gz KEGRJJAQIVDESX-WFASDCNBSA-N 2 2 292.383 0.571 20 0 CCADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000900446038 616315815 /nfs/dbraw/zinc/31/58/15/616315815.db2.gz KEGRJJAQIVDESX-WFASDCNBSA-N 2 2 292.383 0.571 20 0 CCADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000908084607 616346367 /nfs/dbraw/zinc/34/63/67/616346367.db2.gz GKFRNMKGLKWTNT-SWLSCSKDSA-N 2 2 292.383 0.291 20 0 CCADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000908084607 616346368 /nfs/dbraw/zinc/34/63/68/616346368.db2.gz GKFRNMKGLKWTNT-SWLSCSKDSA-N 2 2 292.383 0.291 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000854726626 616358979 /nfs/dbraw/zinc/35/89/79/616358979.db2.gz QKAMVLBMYZEGGU-UONOGXRCSA-N 2 2 281.400 0.261 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000854726626 616358985 /nfs/dbraw/zinc/35/89/85/616358985.db2.gz QKAMVLBMYZEGGU-UONOGXRCSA-N 2 2 281.400 0.261 20 0 CCADLP C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000913535702 616367353 /nfs/dbraw/zinc/36/73/53/616367353.db2.gz SRLLCGFNOXKBIV-UPJWGTAASA-N 2 2 274.368 0.751 20 0 CCADLP C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000913535702 616367355 /nfs/dbraw/zinc/36/73/55/616367355.db2.gz SRLLCGFNOXKBIV-UPJWGTAASA-N 2 2 274.368 0.751 20 0 CCADLP Cn1cc(CC[N@@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)nn1 ZINC000931318995 616395970 /nfs/dbraw/zinc/39/59/70/616395970.db2.gz WRYBEZYWUKPSOR-OKILXGFUSA-N 2 2 263.389 0.631 20 0 CCADLP Cn1cc(CC[N@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)nn1 ZINC000931318995 616395973 /nfs/dbraw/zinc/39/59/73/616395973.db2.gz WRYBEZYWUKPSOR-OKILXGFUSA-N 2 2 263.389 0.631 20 0 CCADLP Cn1cc(CC[NH+]2C[C@@]3(C)C[N@H+](C)C[C@@]3(C)C2)nn1 ZINC000931318995 616395977 /nfs/dbraw/zinc/39/59/77/616395977.db2.gz WRYBEZYWUKPSOR-OKILXGFUSA-N 2 2 263.389 0.631 20 0 CCADLP Cn1cc(CC[NH+]2C[C@@]3(C)C[N@@H+](C)C[C@@]3(C)C2)nn1 ZINC000931318995 616395985 /nfs/dbraw/zinc/39/59/85/616395985.db2.gz WRYBEZYWUKPSOR-OKILXGFUSA-N 2 2 263.389 0.631 20 0 CCADLP C[N@@H+]1CC[C@H]1CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000913876830 616426328 /nfs/dbraw/zinc/42/63/28/616426328.db2.gz MXEIIEUHPDVHQP-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP C[N@H+]1CC[C@H]1CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000913876830 616426330 /nfs/dbraw/zinc/42/63/30/616426330.db2.gz MXEIIEUHPDVHQP-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP CN1C[C@H](CC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1=O ZINC000925814262 616431560 /nfs/dbraw/zinc/43/15/60/616431560.db2.gz ZXWOIMCEGROHPM-UXIGCNINSA-N 2 2 281.400 0.211 20 0 CCADLP Cn1ccc(C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1=O ZINC000879571052 616444745 /nfs/dbraw/zinc/44/47/45/616444745.db2.gz MFHQIGBKBHOLKM-KBPBESRZSA-N 2 2 261.369 0.911 20 0 CCADLP Cn1ccc(C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)cc1=O ZINC000879571052 616444747 /nfs/dbraw/zinc/44/47/47/616444747.db2.gz MFHQIGBKBHOLKM-KBPBESRZSA-N 2 2 261.369 0.911 20 0 CCADLP Cn1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1=O ZINC000879571052 616444749 /nfs/dbraw/zinc/44/47/49/616444749.db2.gz MFHQIGBKBHOLKM-KBPBESRZSA-N 2 2 261.369 0.911 20 0 CCADLP Cn1ccc(C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1=O ZINC000879571052 616444750 /nfs/dbraw/zinc/44/47/50/616444750.db2.gz MFHQIGBKBHOLKM-KBPBESRZSA-N 2 2 261.369 0.911 20 0 CCADLP COC(=O)[C@@H]1[C@@H](C[NH2+][C@@H](C)Cn2cc[nH+]c2)C1(F)F ZINC000894173149 616506121 /nfs/dbraw/zinc/50/61/21/616506121.db2.gz HQJBXQVLJXVZCZ-AEJSXWLSSA-N 2 2 273.283 0.916 20 0 CCADLP C[N@H+]1C[C@H]2CN(C(=O)CNc3cccc[nH+]3)C[C@H]2C1 ZINC000907804420 616509104 /nfs/dbraw/zinc/50/91/04/616509104.db2.gz DKGULZWXNQSDFL-TXEJJXNPSA-N 2 2 260.341 0.514 20 0 CCADLP C[N@@H+]1C[C@H]2CN(C(=O)CNc3cccc[nH+]3)C[C@H]2C1 ZINC000907804420 616509107 /nfs/dbraw/zinc/50/91/07/616509107.db2.gz DKGULZWXNQSDFL-TXEJJXNPSA-N 2 2 260.341 0.514 20 0 CCADLP COC(=O)[C@@H]1[C@H](C[NH2+]C[C@H]2CCC[N@@H+]2C)C1(F)F ZINC000894206764 616515440 /nfs/dbraw/zinc/51/54/40/616515440.db2.gz LKYIOJMOHSEGLC-UTLUCORTSA-N 2 2 262.300 0.725 20 0 CCADLP COC(=O)[C@@H]1[C@H](C[NH2+]C[C@H]2CCC[N@H+]2C)C1(F)F ZINC000894206764 616515443 /nfs/dbraw/zinc/51/54/43/616515443.db2.gz LKYIOJMOHSEGLC-UTLUCORTSA-N 2 2 262.300 0.725 20 0 CCADLP COC1CC([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)C1 ZINC000895686028 616515943 /nfs/dbraw/zinc/51/59/43/616515943.db2.gz QGENPVJGONUJSR-FHERZECASA-N 2 2 297.443 0.550 20 0 CCADLP C[N@@H+]1Cc2ccccc2[C@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925728394 616519674 /nfs/dbraw/zinc/51/96/74/616519674.db2.gz UGCPCLYRYXUTPA-UKRRQHHQSA-N 2 2 261.369 0.751 20 0 CCADLP C[N@H+]1Cc2ccccc2[C@H]1CN[C@@H]1C[NH2+]CCOC1 ZINC000925728394 616519676 /nfs/dbraw/zinc/51/96/76/616519676.db2.gz UGCPCLYRYXUTPA-UKRRQHHQSA-N 2 2 261.369 0.751 20 0 CCADLP COCCS(=O)(=O)CCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903470536 616607015 /nfs/dbraw/zinc/60/70/15/616607015.db2.gz NHJHSADRQGIERQ-GFCCVEGCSA-N 2 2 290.429 0.312 20 0 CCADLP COC(=O)[C@H]1CC[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000886641879 616676189 /nfs/dbraw/zinc/67/61/89/616676189.db2.gz UUBVOMJWVRPOID-XQQFMLRXSA-N 2 2 297.399 0.258 20 0 CCADLP COC(=O)[C@H]1CC[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000886641879 616676190 /nfs/dbraw/zinc/67/61/90/616676190.db2.gz UUBVOMJWVRPOID-XQQFMLRXSA-N 2 2 297.399 0.258 20 0 CCADLP COC[C@H]([NH3+])Cc1cn(Cc2cc[nH+]c(N(C)C)c2)nn1 ZINC000881366189 616686276 /nfs/dbraw/zinc/68/62/76/616686276.db2.gz ZPQCXSJLZQKETB-GFCCVEGCSA-N 2 2 290.371 0.304 20 0 CCADLP COC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000949741756 616806692 /nfs/dbraw/zinc/80/66/92/616806692.db2.gz BLTSNOMHTSMZIF-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP COC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000949741756 616806693 /nfs/dbraw/zinc/80/66/93/616806693.db2.gz BLTSNOMHTSMZIF-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H]2C[NH2+]CCOC2)C1 ZINC000925645062 616840491 /nfs/dbraw/zinc/84/04/91/616840491.db2.gz OYWTUCXSPSPWDX-FRRDWIJNSA-N 2 2 285.388 0.431 20 0 CCADLP C[NH2+]CCC[N@H+](C)Cc1ccc(N2CC[NH2+]CC2)o1 ZINC000904372705 616942707 /nfs/dbraw/zinc/94/27/07/616942707.db2.gz HCKRFEAGCMCKBW-UHFFFAOYSA-N 3 2 266.389 0.731 20 0 CCADLP C[NH2+]CCC[N@@H+](C)Cc1ccc(N2CC[NH2+]CC2)o1 ZINC000904372705 616942710 /nfs/dbraw/zinc/94/27/10/616942710.db2.gz HCKRFEAGCMCKBW-UHFFFAOYSA-N 3 2 266.389 0.731 20 0 CCADLP COCCN(C)C(=[NH2+])NCc1c[nH+]c(N(C)C)n1C ZINC000871605932 616947391 /nfs/dbraw/zinc/94/73/91/616947391.db2.gz SHIIFCQLFWSMSV-UHFFFAOYSA-N 2 2 268.365 0.089 20 0 CCADLP COCC[N@H+](C)CCC[NH2+]Cc1cnc2n1CCOC2 ZINC000921524120 616954247 /nfs/dbraw/zinc/95/42/47/616954247.db2.gz KXNREGYVSNXGLK-UHFFFAOYSA-N 2 2 282.388 0.471 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+]Cc1cnc2n1CCOC2 ZINC000921524120 616954250 /nfs/dbraw/zinc/95/42/50/616954250.db2.gz KXNREGYVSNXGLK-UHFFFAOYSA-N 2 2 282.388 0.471 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H](c2noc(C)n2)C1 ZINC000903491090 617001972 /nfs/dbraw/zinc/00/19/72/617001972.db2.gz UVZLHLJPMKXPMK-PWSUYJOCSA-N 2 2 254.334 0.138 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](c2noc(C)n2)C1 ZINC000903491090 617001979 /nfs/dbraw/zinc/00/19/79/617001979.db2.gz UVZLHLJPMKXPMK-PWSUYJOCSA-N 2 2 254.334 0.138 20 0 CCADLP CON(C)C(=O)CC[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000905680482 617013752 /nfs/dbraw/zinc/01/37/52/617013752.db2.gz WPJXAGSHVJPYTK-UHFFFAOYSA-N 2 2 257.378 0.718 20 0 CCADLP CON(C)C(=O)CC[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000905680482 617013754 /nfs/dbraw/zinc/01/37/54/617013754.db2.gz WPJXAGSHVJPYTK-UHFFFAOYSA-N 2 2 257.378 0.718 20 0 CCADLP COCCN(CC[NH+](C)C)Cc1c(C)cc[nH+]c1N ZINC000894771091 617015943 /nfs/dbraw/zinc/01/59/43/617015943.db2.gz YTZJBNATIQOLHX-UHFFFAOYSA-N 2 2 266.389 0.982 20 0 CCADLP CON(C)C(=O)CC[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000819320671 617017554 /nfs/dbraw/zinc/01/75/54/617017554.db2.gz DDBTZXVANDBRJF-SECBINFHSA-N 2 2 252.318 0.267 20 0 CCADLP CNS(=O)(=O)CC[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880259663 617017966 /nfs/dbraw/zinc/01/79/66/617017966.db2.gz YPOQOPSUXGGLLI-GFCCVEGCSA-N 2 2 298.412 0.141 20 0 CCADLP CNS(=O)(=O)CC[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880259663 617017969 /nfs/dbraw/zinc/01/79/69/617017969.db2.gz YPOQOPSUXGGLLI-GFCCVEGCSA-N 2 2 298.412 0.141 20 0 CCADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC2([NH3+])CC2)c1 ZINC000902418641 617040206 /nfs/dbraw/zinc/04/02/06/617040206.db2.gz XVIRNOLHNIJQNM-JTQLQIEISA-N 2 2 283.397 0.737 20 0 CCADLP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000884179641 617043986 /nfs/dbraw/zinc/04/39/86/617043986.db2.gz WNUITMVWFLGTIM-GJZGRUSLSA-N 2 2 297.443 0.944 20 0 CCADLP C[NH2+][C@@H](CC(C)C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000884206303 617045437 /nfs/dbraw/zinc/04/54/37/617045437.db2.gz RGRVEQNZNSJHLN-STQMWFEESA-N 2 2 271.405 0.457 20 0 CCADLP C[NH2+][C@@H](CC(C)C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000884206303 617045439 /nfs/dbraw/zinc/04/54/39/617045439.db2.gz RGRVEQNZNSJHLN-STQMWFEESA-N 2 2 271.405 0.457 20 0 CCADLP CNc1cc(N2CCC([N@H+](C)CCCO)CC2)nc[nH+]1 ZINC000892553316 617056451 /nfs/dbraw/zinc/05/64/51/617056451.db2.gz KVENCIVOMIDHAN-UHFFFAOYSA-N 2 2 279.388 0.801 20 0 CCADLP CNc1cc(N2CCC([N@@H+](C)CCCO)CC2)nc[nH+]1 ZINC000892553316 617056455 /nfs/dbraw/zinc/05/64/55/617056455.db2.gz KVENCIVOMIDHAN-UHFFFAOYSA-N 2 2 279.388 0.801 20 0 CCADLP CNc1cc(N2CCC([N@H+](C)CCCO)CC2)[nH+]cn1 ZINC000892553316 617056459 /nfs/dbraw/zinc/05/64/59/617056459.db2.gz KVENCIVOMIDHAN-UHFFFAOYSA-N 2 2 279.388 0.801 20 0 CCADLP CNc1cc(N2CCC([N@@H+](C)CCCO)CC2)[nH+]cn1 ZINC000892553316 617056462 /nfs/dbraw/zinc/05/64/62/617056462.db2.gz KVENCIVOMIDHAN-UHFFFAOYSA-N 2 2 279.388 0.801 20 0 CCADLP CNc1cc(N2CC[NH+](C3CCOCC3)CC2)nc[nH+]1 ZINC000892784420 617057237 /nfs/dbraw/zinc/05/72/37/617057237.db2.gz JXRILYOTNRMYJN-UHFFFAOYSA-N 2 2 277.372 0.819 20 0 CCADLP CO[C@H](C)C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000949742020 617065231 /nfs/dbraw/zinc/06/52/31/617065231.db2.gz SKINGZXCOZQCKI-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CO[C@H](C)C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000949742020 617065234 /nfs/dbraw/zinc/06/52/34/617065234.db2.gz SKINGZXCOZQCKI-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CO[C@@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)C(F)(F)F ZINC000863552953 617169184 /nfs/dbraw/zinc/16/91/84/617169184.db2.gz RKHIRGYIXFYBGD-ZJUUUORDSA-N 2 2 270.295 0.610 20 0 CCADLP [NH3+][C@@H]1C[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)C12CCC2 ZINC000925504648 625321914 /nfs/dbraw/zinc/32/19/14/625321914.db2.gz QWHYJKDJNLAZOL-KGLIPLIRSA-N 3 2 267.417 0.693 20 0 CCADLP CCC[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1CC[NH2+]CC1 ZINC000312079056 625362444 /nfs/dbraw/zinc/36/24/44/625362444.db2.gz RWVMMNUBVQZSGX-HNNXBMFYSA-N 3 2 269.433 0.907 20 0 CCADLP CCC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1CC[NH2+]CC1 ZINC000312079056 625362445 /nfs/dbraw/zinc/36/24/45/625362445.db2.gz RWVMMNUBVQZSGX-HNNXBMFYSA-N 3 2 269.433 0.907 20 0 CCADLP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C1(S(C)(=O)=O)CC1 ZINC000925671066 625492818 /nfs/dbraw/zinc/49/28/18/625492818.db2.gz PYFWGHMACNKJEO-ASHHDVGLSA-N 2 2 284.425 0.538 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000925673285 625493393 /nfs/dbraw/zinc/49/33/93/625493393.db2.gz MFTHTUWTJTWVKD-SDDRHHMPSA-N 2 2 260.403 0.541 20 0 CCADLP C[C@@H]1NC(=O)N(CC[NH+]2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)C1=O ZINC000931319186 625604823 /nfs/dbraw/zinc/60/48/23/625604823.db2.gz XLFRSTAAPFQWEH-NILFDRSVSA-N 2 2 294.399 0.200 20 0 CCADLP Cc1nc(C[NH2+][C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3)C2)co1 ZINC001023161339 622931652 /nfs/dbraw/zinc/93/16/52/622931652.db2.gz WGZDZSYDAXFMMZ-TXEJJXNPSA-N 2 2 289.339 0.617 20 0 CCADLP CS(=O)(=O)C1CC([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000892595175 623571923 /nfs/dbraw/zinc/57/19/23/623571923.db2.gz RPZAXJSHFOYYKJ-UHFFFAOYSA-N 2 2 290.429 0.264 20 0 CCADLP c1[nH+]cn2ccnc(N3CC[NH+](C[C@@H]4CCOC4)CC3)c12 ZINC000892836840 623850718 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20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]CC2CCOCC2)C1 ZINC001021128679 624664552 /nfs/dbraw/zinc/66/45/52/624664552.db2.gz NTXILVKNCZHCRO-HDJSIYSDSA-N 2 2 292.383 0.547 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001021128735 624664647 /nfs/dbraw/zinc/66/46/47/624664647.db2.gz SVYGNINPJHZXET-JHJVBQTASA-N 2 2 278.356 0.156 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]([NH2+]CCF)C1 ZINC000970481929 624691316 /nfs/dbraw/zinc/69/13/16/624691316.db2.gz MGYTXEMYJKZQPP-SNVBAGLBSA-N 2 2 254.309 0.123 20 0 CCADLP CC1CCC(NC(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000050248127 624804305 /nfs/dbraw/zinc/80/43/05/624804305.db2.gz PAHDSUVSLJZIBB-OTTFEQOBSA-N 2 2 253.390 0.962 20 0 CCADLP CC1CCC(NC(=O)C[N@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000050248127 624804307 /nfs/dbraw/zinc/80/43/07/624804307.db2.gz PAHDSUVSLJZIBB-OTTFEQOBSA-N 2 2 253.390 0.962 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000891350887 624822293 /nfs/dbraw/zinc/82/22/93/624822293.db2.gz WTACPJXUZKXCPW-ZIAGYGMSSA-N 2 2 298.431 0.620 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001021896027 624850363 /nfs/dbraw/zinc/85/03/63/624850363.db2.gz TXCYXAWYJVCLHM-UMNHJUIQSA-N 2 2 295.412 0.369 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001021896027 624850364 /nfs/dbraw/zinc/85/03/64/624850364.db2.gz TXCYXAWYJVCLHM-UMNHJUIQSA-N 2 2 295.412 0.369 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H](C)O)C2)c[nH+]1 ZINC001022274264 624907404 /nfs/dbraw/zinc/90/74/04/624907404.db2.gz SPCQDXHFBGEVQQ-UPJWGTAASA-N 2 2 294.399 0.544 20 0 CCADLP [NH3+][C@@H]1CCC[C@H](NC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000891818914 624936702 /nfs/dbraw/zinc/93/67/02/624936702.db2.gz NDVKRBPMBCCODL-WOPDTQHZSA-N 2 2 277.372 0.767 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000891895051 624978309 /nfs/dbraw/zinc/97/83/09/624978309.db2.gz ASQTWVBMPZPWIG-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000891895051 624978314 /nfs/dbraw/zinc/97/83/14/624978314.db2.gz ASQTWVBMPZPWIG-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H](O)C[N@H+](C)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001027515083 625931696 /nfs/dbraw/zinc/93/16/96/625931696.db2.gz TVXRMSILDMOTNR-UONOGXRCSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@H](O)C[N@@H+](C)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001027515083 625931716 /nfs/dbraw/zinc/93/17/16/625931716.db2.gz TVXRMSILDMOTNR-UONOGXRCSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@@H]1COC[C@@H]1[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000903397004 634556624 /nfs/dbraw/zinc/55/66/24/634556624.db2.gz VDJFBSIQTZGAKY-ZBFHGGJFSA-N 2 2 297.443 0.408 20 0 CCADLP C[C@]1([C@@H]2CCC[N@H+](C[C@@H]3C[NH2+]CCO3)C2)COC(=O)N1 ZINC000903561619 634607650 /nfs/dbraw/zinc/60/76/50/634607650.db2.gz LSJKWVYGPAVXNV-MBNYWOFBSA-N 2 2 283.372 0.185 20 0 CCADLP C[C@]1([C@@H]2CCC[N@@H+](C[C@@H]3C[NH2+]CCO3)C2)COC(=O)N1 ZINC000903561619 634607659 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[NH3+]C[C@]12CC[C@H]1CC[N@H+]2CCOC[C@H]1CCCO1 ZINC000903856515 634668764 /nfs/dbraw/zinc/66/87/64/634668764.db2.gz RNOROKBGFXQJGR-BFHYXJOUSA-N 2 2 254.374 0.995 20 0 CCADLP Cn1cc([C@@H]2C[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]2[NH3+])cn1 ZINC000903929156 634689199 /nfs/dbraw/zinc/68/91/99/634689199.db2.gz BCQDMCBWOCWJMD-UIEWWBOYSA-N 3 2 289.427 0.677 20 0 CCADLP Cn1cc([C@@H]2C[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@H]2[NH3+])cn1 ZINC000903929156 634689201 /nfs/dbraw/zinc/68/92/01/634689201.db2.gz BCQDMCBWOCWJMD-UIEWWBOYSA-N 3 2 289.427 0.677 20 0 CCADLP C[C@]1(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)CCC[NH2+]C1 ZINC000904327942 634729617 /nfs/dbraw/zinc/72/96/17/634729617.db2.gz JVOWIENQVXHEJE-AAEUAGOBSA-N 2 2 252.362 0.086 20 0 CCADLP C[C@]1(C[N@H+]2CCN3C(=O)NC[C@H]3C2)CCC[NH2+]C1 ZINC000904327942 634729620 /nfs/dbraw/zinc/72/96/20/634729620.db2.gz JVOWIENQVXHEJE-AAEUAGOBSA-N 2 2 252.362 0.086 20 0 CCADLP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1 ZINC000904376565 634739035 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C[C@H](CC(=O)N1C[C@H]([NH2+]CCO)C(C)(C)C1)n1cc[nH+]c1 ZINC000996360182 638816908 /nfs/dbraw/zinc/81/69/08/638816908.db2.gz HYFTYHXVDJVHBR-OLZOCXBDSA-N 2 2 294.399 0.653 20 0 CCADLP C[C@@H](O)C[NH2+]C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000996860230 638834820 /nfs/dbraw/zinc/83/48/20/638834820.db2.gz PVDUCBWNAMWXQP-GFCCVEGCSA-N 2 2 280.372 0.235 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC000997034687 638849425 /nfs/dbraw/zinc/84/94/25/638849425.db2.gz BCQXRMZAMPHFLX-LBPRGKRZSA-N 2 2 292.383 0.569 20 0 CCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000999534872 638985007 /nfs/dbraw/zinc/98/50/07/638985007.db2.gz HEEZZHDKNNESKP-QWHCGFSZSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(N[C@H]1CC[N@@H+](CCCO)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001014813258 650491053 /nfs/dbraw/zinc/49/10/53/650491053.db2.gz WYVMWDZPBPQQMR-QJPTWQEYSA-N 2 2 278.356 0.086 20 0 CCADLP O=C(N[C@H]1CC[N@H+](CCCO)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001014813258 650491055 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[NH3+]C[C@H]1CCC[N@H+]1C[C@H](O)COc1ccc(F)cc1 ZINC000923293600 640074052 /nfs/dbraw/zinc/07/40/52/640074052.db2.gz YOMPAODXYVALOP-OLZOCXBDSA-N 2 2 268.332 0.989 20 0 CCADLP Cc1noc([C@H](C)[N@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)n1 ZINC000923386087 640116349 /nfs/dbraw/zinc/11/63/49/640116349.db2.gz DCMNCNSZLLQKEK-ONGXEEELSA-N 2 2 266.345 0.749 20 0 CCADLP Cc1noc([C@H](C)[N@@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)n1 ZINC000923386087 640116354 /nfs/dbraw/zinc/11/63/54/640116354.db2.gz DCMNCNSZLLQKEK-ONGXEEELSA-N 2 2 266.345 0.749 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCN2C(=O)CN(C)C2=O)[C@@H]1C ZINC000923425280 640131799 /nfs/dbraw/zinc/13/17/99/640131799.db2.gz XSYCJODFFJGUHK-IJLUTSLNSA-N 2 2 282.388 0.328 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCN2C(=O)CN(C)C2=O)[C@@H]1C ZINC000923425280 640131807 /nfs/dbraw/zinc/13/18/07/640131807.db2.gz XSYCJODFFJGUHK-IJLUTSLNSA-N 2 2 282.388 0.328 20 0 CCADLP O=C1CC[C@@H]([N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C(=O)N1 ZINC000799123926 640545237 /nfs/dbraw/zinc/54/52/37/640545237.db2.gz CRBXOYNIEPAHFR-CHWSQXEVSA-N 2 2 279.384 0.742 20 0 CCADLP O=C1CC[C@@H]([N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C(=O)N1 ZINC000799123926 640545245 /nfs/dbraw/zinc/54/52/45/640545245.db2.gz CRBXOYNIEPAHFR-CHWSQXEVSA-N 2 2 279.384 0.742 20 0 CCADLP C[C@@H](C[NH2+]Cc1ncc(Cl)n1C)N1CC[NH+](C)CC1 ZINC000799337774 640562523 /nfs/dbraw/zinc/56/25/23/640562523.db2.gz PKMBKFACCXRTKC-NSHDSACASA-N 2 2 285.823 0.799 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCCc2cnn(C)n2)C[N@@H+]1C1CC1 ZINC000815145132 641095223 /nfs/dbraw/zinc/09/52/23/641095223.db2.gz WSTVSDSEMQRJBD-WCQYABFASA-N 2 2 263.389 0.963 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCCc2cnn(C)n2)C[N@H+]1C1CC1 ZINC000815145132 641095227 /nfs/dbraw/zinc/09/52/27/641095227.db2.gz WSTVSDSEMQRJBD-WCQYABFASA-N 2 2 263.389 0.963 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCc1cnn(C)n1 ZINC000815639569 641118187 /nfs/dbraw/zinc/11/81/87/641118187.db2.gz BHVHBGMSHKTYMX-RISCZKNCSA-N 2 2 263.389 0.820 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCc1cnn(C)n1 ZINC000815639569 641118191 /nfs/dbraw/zinc/11/81/91/641118191.db2.gz BHVHBGMSHKTYMX-RISCZKNCSA-N 2 2 263.389 0.820 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N[C@H](CO)C[NH+]1CCCC1 ZINC000816626094 641183642 /nfs/dbraw/zinc/18/36/42/641183642.db2.gz VARZFJAJNNOJET-ZDUSSCGKSA-N 2 2 280.372 0.236 20 0 CCADLP Cc1cccnc1C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016392263 650723939 /nfs/dbraw/zinc/72/39/39/650723939.db2.gz AGPUOBXXHBIZJU-CQSZACIVSA-N 2 2 299.378 0.977 20 0 CCADLP Cc1cccnc1C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016392263 650723940 /nfs/dbraw/zinc/72/39/40/650723940.db2.gz AGPUOBXXHBIZJU-CQSZACIVSA-N 2 2 299.378 0.977 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC001016397022 650725253 /nfs/dbraw/zinc/72/52/53/650725253.db2.gz IKYVNCSUMTWDKY-ZIAGYGMSSA-N 2 2 292.383 0.500 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC001016397022 650725255 /nfs/dbraw/zinc/72/52/55/650725255.db2.gz IKYVNCSUMTWDKY-ZIAGYGMSSA-N 2 2 292.383 0.500 20 0 CCADLP COc1c[nH+]ccc1N1CC[NH+](CC[S@](C)=O)CC1 ZINC000829376888 642157634 /nfs/dbraw/zinc/15/76/34/642157634.db2.gz ODFZTYDLBLILND-IBGZPJMESA-N 2 2 283.397 0.591 20 0 CCADLP C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000829483760 642165604 /nfs/dbraw/zinc/16/56/04/642165604.db2.gz MISBMFCURBHQCE-TZMCWYRMSA-N 3 2 294.443 0.412 20 0 CCADLP C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000829483760 642165608 /nfs/dbraw/zinc/16/56/08/642165608.db2.gz MISBMFCURBHQCE-TZMCWYRMSA-N 3 2 294.443 0.412 20 0 CCADLP [NH3+]CCC[NH+]1CCN(c2cccc3[nH]c(=O)[nH]c32)CC1 ZINC000114603547 650752289 /nfs/dbraw/zinc/75/22/89/650752289.db2.gz DTLCQGBDBPBNGL-UHFFFAOYSA-N 2 2 275.356 0.327 20 0 CCADLP NC(=O)COc1ccc(C[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC000841091335 642802867 /nfs/dbraw/zinc/80/28/67/642802867.db2.gz VMYCQCFNSUWZEJ-ZDUSSCGKSA-N 2 2 277.368 0.782 20 0 CCADLP C[N@@H+](Cc1ccc(-n2ccnc2)nc1)C[C@@H](O)C[NH3+] ZINC000844223712 643186415 /nfs/dbraw/zinc/18/64/15/643186415.db2.gz AHGZRMJWONVTNU-LBPRGKRZSA-N 2 2 261.329 0.019 20 0 CCADLP C[N@H+](Cc1ccc(-n2ccnc2)nc1)C[C@@H](O)C[NH3+] ZINC000844223712 643186427 /nfs/dbraw/zinc/18/64/27/643186427.db2.gz AHGZRMJWONVTNU-LBPRGKRZSA-N 2 2 261.329 0.019 20 0 CCADLP C[C@@H](Cc1nc(N2CC[NH2+]CC2)no1)n1cc[nH+]c1 ZINC000844922781 643256002 /nfs/dbraw/zinc/25/60/02/643256002.db2.gz FYUVNHVFIHSYRC-JTQLQIEISA-N 2 2 262.317 0.479 20 0 CCADLP COCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001017998985 650839289 /nfs/dbraw/zinc/83/92/89/650839289.db2.gz VERKWFGHVTUQLM-BETUJISGSA-N 2 2 278.356 0.274 20 0 CCADLP COCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001017998985 650839292 /nfs/dbraw/zinc/83/92/92/650839292.db2.gz VERKWFGHVTUQLM-BETUJISGSA-N 2 2 278.356 0.274 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cnsn1 ZINC000846836511 643461773 /nfs/dbraw/zinc/46/17/73/643461773.db2.gz PXKMPVGLCQJIQT-UHFFFAOYSA-N 2 2 283.445 0.996 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cnsn1 ZINC000846836511 643461782 /nfs/dbraw/zinc/46/17/82/643461782.db2.gz PXKMPVGLCQJIQT-UHFFFAOYSA-N 2 2 283.445 0.996 20 0 CCADLP [NH3+]C[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000848393842 643631732 /nfs/dbraw/zinc/63/17/32/643631732.db2.gz JRJZWEXMHHSFNY-NWDGAFQWSA-N 2 2 262.357 0.643 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852436703 643965305 /nfs/dbraw/zinc/96/53/05/643965305.db2.gz MFCDCSYFKQINTC-LBPRGKRZSA-N 2 2 264.329 0.718 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1cccc(C[NH3+])c1 ZINC000852847003 644021053 /nfs/dbraw/zinc/02/10/53/644021053.db2.gz MSKXCSGPAJSXCX-OLZOCXBDSA-N 2 2 291.395 0.984 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1cccc(C[NH3+])c1 ZINC000852847003 644021057 /nfs/dbraw/zinc/02/10/57/644021057.db2.gz MSKXCSGPAJSXCX-OLZOCXBDSA-N 2 2 291.395 0.984 20 0 CCADLP [NH3+]C[C@@H]1CC(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)=NO1 ZINC000852860551 644028732 /nfs/dbraw/zinc/02/87/32/644028732.db2.gz GRZPWZVEDAVXHT-ZJUUUORDSA-N 2 2 277.328 0.219 20 0 CCADLP [NH3+]C[C@@H]1CC(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)=NO1 ZINC000852863325 644030233 /nfs/dbraw/zinc/03/02/33/644030233.db2.gz MLVKQCZXNWFGHR-JTQLQIEISA-N 2 2 277.328 0.219 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)N1CC[NH+](C)CC1 ZINC000925491021 644440276 /nfs/dbraw/zinc/44/02/76/644440276.db2.gz CYQYKPMCFNNJMH-CHWSQXEVSA-N 3 2 254.422 0.352 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000857101978 644465252 /nfs/dbraw/zinc/46/52/52/644465252.db2.gz BUGKRUURPPQCFB-VHSXEESVSA-N 2 2 251.334 0.234 20 0 CCADLP Cn1nccc1[C@H](O)C1CC[NH+](CC(C)(C)[NH3+])CC1 ZINC000857226076 644484086 /nfs/dbraw/zinc/48/40/86/644484086.db2.gz CYLRXAAEJHGFQA-CYBMUJFWSA-N 2 2 266.389 0.903 20 0 CCADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[C@H]([NH2+]CCF)C1 ZINC001019056444 650933771 /nfs/dbraw/zinc/93/37/71/650933771.db2.gz YUYKSHLNPWADPC-NEPJUHHUSA-N 2 2 280.347 0.606 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001019407832 650970363 /nfs/dbraw/zinc/97/03/63/650970363.db2.gz YKYWYCXKYCHSMS-QJPTWQEYSA-N 2 2 262.357 0.734 20 0 CCADLP Cn1cc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)cn1 ZINC001019437031 650973214 /nfs/dbraw/zinc/97/32/14/650973214.db2.gz DESZIMDDNRFEIA-LBPRGKRZSA-N 2 2 288.355 0.076 20 0 CCADLP C[C@H]([NH3+])C[N@H+](C)CCC(=O)NC(=O)NCC(F)(F)F ZINC000863568296 645107950 /nfs/dbraw/zinc/10/79/50/645107950.db2.gz IYJYQIBRQYRVKA-ZETCQYMHSA-N 2 2 284.282 0.044 20 0 CCADLP C[C@H]([NH3+])C[N@@H+](C)CCC(=O)NC(=O)NCC(F)(F)F ZINC000863568296 645107954 /nfs/dbraw/zinc/10/79/54/645107954.db2.gz IYJYQIBRQYRVKA-ZETCQYMHSA-N 2 2 284.282 0.044 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@H]2COCC[NH2+]2)c[nH+]1 ZINC000864086337 645169243 /nfs/dbraw/zinc/16/92/43/645169243.db2.gz GKDQYGJFMVWNSR-NSHDSACASA-N 2 2 266.345 0.031 20 0 CCADLP C[C@H]1C[C@@H]1NC(=[NH2+])NCC1([NH+]2CCOCC2)CCOCC1 ZINC000864467080 645232569 /nfs/dbraw/zinc/23/25/69/645232569.db2.gz SIQWLXUDAPFYLX-STQMWFEESA-N 2 2 296.415 0.390 20 0 CCADLP O=C([C@H](O)c1c[nH+]c[nH]1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000865124020 645325432 /nfs/dbraw/zinc/32/54/32/645325432.db2.gz APBGEGFNDSQQRU-CMPLNLGQSA-N 2 2 264.329 0.140 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000865343993 645356332 /nfs/dbraw/zinc/35/63/32/645356332.db2.gz WTAKQKYMMRUPAU-GMTAPVOTSA-N 2 2 251.334 0.308 20 0 CCADLP O=C([C@H](O)c1c[nH+]c[nH]1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000865576599 645383775 /nfs/dbraw/zinc/38/37/75/645383775.db2.gz QJIZSYCYPXMUIL-DGCLKSJQSA-N 2 2 278.356 0.530 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC001019867635 651011256 /nfs/dbraw/zinc/01/12/56/651011256.db2.gz BMZGYJVJSRYGDO-KGLIPLIRSA-N 2 2 292.383 0.500 20 0 CCADLP C[C@@H](CCc1cccnc1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000866249764 645511608 /nfs/dbraw/zinc/51/16/08/645511608.db2.gz NMCUURGJDQXRDK-AWEZNQCLSA-N 2 2 290.411 0.766 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)/C=C/C[NH+]2CCOCC2)C[N@@H+]1C1CC1 ZINC000866457142 645531702 /nfs/dbraw/zinc/53/17/02/645531702.db2.gz JMRUITYYTSLJHV-DHMVDLOISA-N 2 2 293.411 0.616 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)/C=C/C[NH+]2CCOCC2)C[N@H+]1C1CC1 ZINC000866457142 645531717 /nfs/dbraw/zinc/53/17/17/645531717.db2.gz JMRUITYYTSLJHV-DHMVDLOISA-N 2 2 293.411 0.616 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@@H](C)CO1 ZINC000870953277 646059905 /nfs/dbraw/zinc/05/99/05/646059905.db2.gz SAOMNWFEZRIPIB-CRWXNKLISA-N 2 2 283.416 0.729 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@@H](C)CO1 ZINC000870953277 646059912 /nfs/dbraw/zinc/05/99/12/646059912.db2.gz SAOMNWFEZRIPIB-CRWXNKLISA-N 2 2 283.416 0.729 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)C[C@@H]1C(F)(F)F ZINC000872150307 646215226 /nfs/dbraw/zinc/21/52/26/646215226.db2.gz ZKDBZOVKRVBNAU-BBBLOLIVSA-N 3 2 251.296 0.665 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)C[C@@H]1C(F)(F)F ZINC000872150307 646215232 /nfs/dbraw/zinc/21/52/32/646215232.db2.gz ZKDBZOVKRVBNAU-BBBLOLIVSA-N 3 2 251.296 0.665 20 0 CCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000872289700 646240743 /nfs/dbraw/zinc/24/07/43/646240743.db2.gz QMEFHRSNANZTIR-ZNMIVQPWSA-N 2 2 296.459 0.646 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873294225 646372211 /nfs/dbraw/zinc/37/22/11/646372211.db2.gz QOJSSGCQNHSIPD-KFWWJZLASA-N 3 2 297.443 0.502 20 0 CCADLP [NH3+]C1(CNC(=O)/C=C\C[NH+]2CCOCC2)CCCCC1 ZINC000876505443 646614154 /nfs/dbraw/zinc/61/41/54/646614154.db2.gz VQCNDGUJMIULPW-PLNGDYQASA-N 2 2 281.400 0.653 20 0 CCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876727704 646652046 /nfs/dbraw/zinc/65/20/46/646652046.db2.gz RPUSUVPNCRQHFA-BXUZGUMPSA-N 2 2 294.374 0.826 20 0 CCADLP C[C@H](NC(=O)[C@H](F)[C@H]1CC[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000876755701 646657899 /nfs/dbraw/zinc/65/78/99/646657899.db2.gz LXSOXPQYWPNUPL-ZDEQEGDKSA-N 2 2 287.379 0.159 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCC([C@@H](F)C(N)=O)CC1 ZINC000879040397 647017329 /nfs/dbraw/zinc/01/73/29/647017329.db2.gz BDYIAONEAKQQAL-GFCCVEGCSA-N 2 2 268.336 0.498 20 0 CCADLP C[C@H]1C[N@@H+]([C@@H]2CCNC2=O)CCN1c1cc[nH+]cc1 ZINC000880262672 647177821 /nfs/dbraw/zinc/17/78/21/647177821.db2.gz RRWGXIBRXOVBDC-WCQYABFASA-N 2 2 260.341 0.481 20 0 CCADLP C[C@H]1C[N@H+]([C@@H]2CCNC2=O)CCN1c1cc[nH+]cc1 ZINC000880262672 647177824 /nfs/dbraw/zinc/17/78/24/647177824.db2.gz RRWGXIBRXOVBDC-WCQYABFASA-N 2 2 260.341 0.481 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c[nH+]1 ZINC000884043509 647624680 /nfs/dbraw/zinc/62/46/80/647624680.db2.gz WYWHGDBDJYMVQE-NWDGAFQWSA-N 2 2 280.372 0.501 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCOCC(F)(F)F ZINC000134010576 647670490 /nfs/dbraw/zinc/67/04/90/647670490.db2.gz WHSOPWKRVMTKFW-NXEZZACHSA-N 2 2 270.295 0.922 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCOCC(F)(F)F ZINC000134010787 647671058 /nfs/dbraw/zinc/67/10/58/647671058.db2.gz WHSOPWKRVMTKFW-UWVGGRQHSA-N 2 2 270.295 0.922 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@@H]([NH3+])C2CC2)c[nH+]1 ZINC000884242120 647677429 /nfs/dbraw/zinc/67/74/29/647677429.db2.gz LYFHYFQNCNPKNG-LLVKDONJSA-N 2 2 250.346 0.780 20 0 CCADLP OC[C@H](C[C@@H]1CCCO1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000886670301 647997060 /nfs/dbraw/zinc/99/70/60/647997060.db2.gz MPYNZTJSGFUTTK-XHSDSOJGSA-N 2 2 298.427 0.759 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887130417 648072172 /nfs/dbraw/zinc/07/21/72/648072172.db2.gz CZMNJLVQDCRNKY-GHMZBOCLSA-N 2 2 291.355 0.176 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887130417 648072177 /nfs/dbraw/zinc/07/21/77/648072177.db2.gz CZMNJLVQDCRNKY-GHMZBOCLSA-N 2 2 291.355 0.176 20 0 CCADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1[C@H]1CCC(=O)NC1=O ZINC000887135241 648073819 /nfs/dbraw/zinc/07/38/19/648073819.db2.gz YXLXJQRYMXDMJY-YPMHNXCESA-N 2 2 288.351 0.397 20 0 CCADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1[C@H]1CCC(=O)NC1=O ZINC000887135241 648073823 /nfs/dbraw/zinc/07/38/23/648073823.db2.gz YXLXJQRYMXDMJY-YPMHNXCESA-N 2 2 288.351 0.397 20 0 CCADLP C[C@H]1C[N@@H+]([C@@H]2CC(=O)NC2=O)CCN1c1cc[nH+]cc1 ZINC000887301375 648088706 /nfs/dbraw/zinc/08/87/06/648088706.db2.gz WSROAMOXVNNRMF-CMPLNLGQSA-N 2 2 274.324 0.007 20 0 CCADLP C[C@H]1C[N@H+]([C@@H]2CC(=O)NC2=O)CCN1c1cc[nH+]cc1 ZINC000887301375 648088711 /nfs/dbraw/zinc/08/87/11/648088711.db2.gz WSROAMOXVNNRMF-CMPLNLGQSA-N 2 2 274.324 0.007 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000890072185 648273765 /nfs/dbraw/zinc/27/37/65/648273765.db2.gz IVCMBIQVIFAXFX-UHFFFAOYSA-N 2 2 264.373 0.811 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000890072185 648273768 /nfs/dbraw/zinc/27/37/68/648273768.db2.gz IVCMBIQVIFAXFX-UHFFFAOYSA-N 2 2 264.373 0.811 20 0 CCADLP O=C(NCC[NH2+][C@@H]1CC[NH2+]C12CCCC2)c1ccn[nH]1 ZINC000925630814 648449344 /nfs/dbraw/zinc/44/93/44/648449344.db2.gz DGCJEQCXSCWOOQ-GFCCVEGCSA-N 2 2 277.372 0.404 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000925667251 648452551 /nfs/dbraw/zinc/45/25/51/648452551.db2.gz BPKYFRXRLGYTTQ-AVGNSLFASA-N 2 2 289.445 0.531 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000925709821 648455636 /nfs/dbraw/zinc/45/56/36/648455636.db2.gz ADMFIOYZHOULHG-DLOVCJGASA-N 2 2 253.346 0.700 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000925712963 648455854 /nfs/dbraw/zinc/45/58/54/648455854.db2.gz WHMAGHAWIXNCFY-SLTXQBBLSA-N 3 2 280.460 0.933 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000925712963 648455858 /nfs/dbraw/zinc/45/58/58/648455858.db2.gz WHMAGHAWIXNCFY-SLTXQBBLSA-N 3 2 280.460 0.933 20 0 CCADLP CC[C@@H]1COC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000926749275 648524306 /nfs/dbraw/zinc/52/43/06/648524306.db2.gz LCRQRTFZJJIFOU-AGIUHOORSA-N 2 2 269.389 0.341 20 0 CCADLP CC[C@@H]1COC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000926749275 648524310 /nfs/dbraw/zinc/52/43/10/648524310.db2.gz LCRQRTFZJJIFOU-AGIUHOORSA-N 2 2 269.389 0.341 20 0 CCADLP c1cn(C2CC[NH+](C[C@H]3COCCO3)CC2)c[nH+]1 ZINC000929804028 648793700 /nfs/dbraw/zinc/79/37/00/648793700.db2.gz REDPOCBSEQRZOK-ZDUSSCGKSA-N 2 2 251.330 0.935 20 0 CCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C[C@H]1CCC[N@@H+]1C ZINC000930455479 648863796 /nfs/dbraw/zinc/86/37/96/648863796.db2.gz PDUIWVSESVSXRM-ZNMIVQPWSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C[C@H]1CCC[N@H+]1C ZINC000930455479 648863799 /nfs/dbraw/zinc/86/37/99/648863799.db2.gz PDUIWVSESVSXRM-ZNMIVQPWSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1CC[C@H](C(N)=O)[C@H](C)[N@@H+]1CCc1c[nH+]cn1C ZINC000930910766 648924944 /nfs/dbraw/zinc/92/49/44/648924944.db2.gz HWPGQKHWTAZUPO-MDZLAQPJSA-N 2 2 264.373 0.937 20 0 CCADLP C[C@@H]1CC[C@H](C(N)=O)[C@H](C)[N@H+]1CCc1c[nH+]cn1C ZINC000930910766 648924946 /nfs/dbraw/zinc/92/49/46/648924946.db2.gz HWPGQKHWTAZUPO-MDZLAQPJSA-N 2 2 264.373 0.937 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)n(C)n1 ZINC000931431065 648988523 /nfs/dbraw/zinc/98/85/23/648988523.db2.gz IHUADQBJKJFLQG-OLZOCXBDSA-N 2 2 291.399 0.551 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)n(C)n1 ZINC000931431065 648988527 /nfs/dbraw/zinc/98/85/27/648988527.db2.gz IHUADQBJKJFLQG-OLZOCXBDSA-N 2 2 291.399 0.551 20 0 CCADLP Cc1cc(NC(=O)C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)n(C)n1 ZINC000931431065 648988533 /nfs/dbraw/zinc/98/85/33/648988533.db2.gz IHUADQBJKJFLQG-OLZOCXBDSA-N 2 2 291.399 0.551 20 0 CCADLP Cc1cc(NC(=O)C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)n(C)n1 ZINC000931431065 648988537 /nfs/dbraw/zinc/98/85/37/648988537.db2.gz IHUADQBJKJFLQG-OLZOCXBDSA-N 2 2 291.399 0.551 20 0 CCADLP Nc1cc[nH+]c2c1C[N@H+](C[C@@H]1C[C@@H]3COC[C@H]3O1)CC2 ZINC000931517482 648999568 /nfs/dbraw/zinc/99/95/68/648999568.db2.gz ZQUDDIKFSZEIES-JRPNMDOOSA-N 2 2 275.352 0.826 20 0 CCADLP Nc1cc[nH+]c2c1C[N@@H+](C[C@@H]1C[C@@H]3COC[C@H]3O1)CC2 ZINC000931517482 648999571 /nfs/dbraw/zinc/99/95/71/648999571.db2.gz ZQUDDIKFSZEIES-JRPNMDOOSA-N 2 2 275.352 0.826 20 0 CCADLP c1cn2c([nH+]1)N(CCOCCN1CCn3cc[nH+]c31)CC2 ZINC000931522395 649000320 /nfs/dbraw/zinc/00/03/20/649000320.db2.gz ZJDPCDMOCVYLRI-UHFFFAOYSA-N 2 2 288.355 0.436 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CC[NH2+]C(C)(C)C ZINC000935713757 649253725 /nfs/dbraw/zinc/25/37/25/649253725.db2.gz VCVKHCZOVQNVQA-ZDUSSCGKSA-N 2 2 285.432 0.944 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(S(N)(=O)=O)c2)CC[N@@H+]1C ZINC000156019255 649293931 /nfs/dbraw/zinc/29/39/31/649293931.db2.gz WPWNOTYNGSMJFV-YPMHNXCESA-N 2 2 297.424 0.906 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(S(N)(=O)=O)c2)CC[N@H+]1C ZINC000156019255 649293935 /nfs/dbraw/zinc/29/39/35/649293935.db2.gz WPWNOTYNGSMJFV-YPMHNXCESA-N 2 2 297.424 0.906 20 0 CCADLP C[NH+](C)C1(C(=O)NCCCn2cc[nH+]c2)CCC1 ZINC000158578820 649307480 /nfs/dbraw/zinc/30/74/80/649307480.db2.gz JIRCYIDGVGYXPL-UHFFFAOYSA-N 2 2 250.346 0.874 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CCCO ZINC000947931045 649356063 /nfs/dbraw/zinc/35/60/63/649356063.db2.gz YYLWYCIJYZSXJW-OLZOCXBDSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1CCCO ZINC000947931045 649356065 /nfs/dbraw/zinc/35/60/65/649356065.db2.gz YYLWYCIJYZSXJW-OLZOCXBDSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000949117606 649412453 /nfs/dbraw/zinc/41/24/53/649412453.db2.gz ALHFXPOALDHCGY-GFCCVEGCSA-N 2 2 288.351 0.473 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[NH+](CCC2CC2)CC1 ZINC000950732552 649490759 /nfs/dbraw/zinc/49/07/59/649490759.db2.gz LIXWEERPGPAIPF-UHFFFAOYSA-N 2 2 262.357 0.897 20 0 CCADLP C[C@H]1CN(C(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCO1 ZINC000080959555 649569096 /nfs/dbraw/zinc/56/90/96/649569096.db2.gz WLUJVPRVIGBISP-STQMWFEESA-N 2 2 292.383 0.836 20 0 CCADLP C[C@H]1CN(C(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCO1 ZINC000080959555 649569101 /nfs/dbraw/zinc/56/91/01/649569101.db2.gz WLUJVPRVIGBISP-STQMWFEESA-N 2 2 292.383 0.836 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCO[C@@H](C)C2)[C@H](C)C1 ZINC000245417035 649642057 /nfs/dbraw/zinc/64/20/57/649642057.db2.gz FQWLMRXBZCFOFL-ILXRZTDVSA-N 2 2 297.443 0.896 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCO[C@@H](C)C2)[C@H](C)C1 ZINC000245417035 649642059 /nfs/dbraw/zinc/64/20/59/649642059.db2.gz FQWLMRXBZCFOFL-ILXRZTDVSA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCO[C@@H](C)C2)[C@H](C)C1 ZINC000245417035 649642062 /nfs/dbraw/zinc/64/20/62/649642062.db2.gz FQWLMRXBZCFOFL-ILXRZTDVSA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCO[C@@H](C)C2)[C@H](C)C1 ZINC000245417035 649642064 /nfs/dbraw/zinc/64/20/64/649642064.db2.gz FQWLMRXBZCFOFL-ILXRZTDVSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@@H](O)CCC[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001230438537 805601725 /nfs/dbraw/zinc/60/17/25/805601725.db2.gz VXLWCCCGWYPXHF-CYBMUJFWSA-N 2 2 294.399 0.625 20 0 CCADLP COC(=O)CN1CC[NH+](C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001208606378 790427631 /nfs/dbraw/zinc/42/76/31/790427631.db2.gz FJHGKTAUOJWQCS-ZDUSSCGKSA-N 2 2 269.389 0.119 20 0 CCADLP COC(=O)CN1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001208606378 790427639 /nfs/dbraw/zinc/42/76/39/790427639.db2.gz FJHGKTAUOJWQCS-ZDUSSCGKSA-N 2 2 269.389 0.119 20 0 CCADLP C[NH+](C)CCCN1CC[NH+](C[C@H]2CCC[N@H+](C)C2)CC1 ZINC001208613696 790431837 /nfs/dbraw/zinc/43/18/37/790431837.db2.gz YIRXURYFSYAMMA-INIZCTEOSA-N 3 2 282.476 0.898 20 0 CCADLP C[NH+](C)CCCN1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001208613696 790431838 /nfs/dbraw/zinc/43/18/38/790431838.db2.gz YIRXURYFSYAMMA-INIZCTEOSA-N 3 2 282.476 0.898 20 0 CCADLP Cc1noc(C)c1C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167346933 790936786 /nfs/dbraw/zinc/93/67/86/790936786.db2.gz WQQXKTOVQUFZBI-UHFFFAOYSA-N 2 2 291.355 0.853 20 0 CCADLP COCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001266601844 791008712 /nfs/dbraw/zinc/00/87/12/791008712.db2.gz OEPFVZYTKGYCTL-JHJVBQTASA-N 2 2 292.383 0.329 20 0 CCADLP C[NH+](C)C1CC[NH+](Cc2c[nH]c(=O)[nH]c2=O)CC1 ZINC001231700718 805831665 /nfs/dbraw/zinc/83/16/65/805831665.db2.gz ADBZRILJVUKVRK-UHFFFAOYSA-N 2 2 252.318 0.414 20 0 CCADLP COCCOCN1CC[C@H]2[C@@H]1CC[N@@H+]2C1CC[NH+](C)CC1 ZINC001277626894 805907563 /nfs/dbraw/zinc/90/75/63/805907563.db2.gz GNNSUOWNMIHCID-HOTGVXAUSA-N 2 2 297.443 0.850 20 0 CCADLP COCCOCN1CC[C@H]2[C@@H]1CC[N@H+]2C1CC[NH+](C)CC1 ZINC001277626894 805907565 /nfs/dbraw/zinc/90/75/65/805907565.db2.gz GNNSUOWNMIHCID-HOTGVXAUSA-N 2 2 297.443 0.850 20 0 CCADLP C[NH+]1CCN(c2ccc(C[NH+]3CC(C)(CO)C3)cn2)CC1 ZINC001232360534 805928239 /nfs/dbraw/zinc/92/82/39/805928239.db2.gz JNTFCBSLZZNHPF-UHFFFAOYSA-N 2 2 290.411 0.648 20 0 CCADLP CCOCC[NH2+]CCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001266748393 791207062 /nfs/dbraw/zinc/20/70/62/791207062.db2.gz DEYBTDKVXXOZCC-ZDUSSCGKSA-N 2 2 294.399 0.530 20 0 CCADLP CN(CC[NH2+]CCc1ccns1)C(=O)Cc1c[nH+]c[nH]1 ZINC001266847012 791283772 /nfs/dbraw/zinc/28/37/72/791283772.db2.gz QIKKZHIWIWYMJG-UHFFFAOYSA-N 2 2 293.396 0.699 20 0 CCADLP CCOCC[NH2+]C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001266881007 791319925 /nfs/dbraw/zinc/31/99/25/791319925.db2.gz NDMGMSJNWGNCRT-ZDUSSCGKSA-N 2 2 294.399 0.959 20 0 CCADLP COC[C@@H](C)[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001266994985 791428393 /nfs/dbraw/zinc/42/83/93/791428393.db2.gz DUALOSJHEMWSQC-GHMZBOCLSA-N 2 2 254.334 0.012 20 0 CCADLP C[N@H+](C[C@H](O)C[NH3+])C[C@H]1COc2ccccc2O1 ZINC000386625008 791614349 /nfs/dbraw/zinc/61/43/49/791614349.db2.gz OKBPGVRCFYPJMS-MNOVXSKESA-N 2 2 252.314 0.078 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH3+])C[C@H]1COc2ccccc2O1 ZINC000386625008 791614356 /nfs/dbraw/zinc/61/43/56/791614356.db2.gz OKBPGVRCFYPJMS-MNOVXSKESA-N 2 2 252.314 0.078 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001233976952 806161443 /nfs/dbraw/zinc/16/14/43/806161443.db2.gz JNYLABRIEHRCSJ-STQMWFEESA-N 2 2 294.399 0.910 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001233976952 806161449 /nfs/dbraw/zinc/16/14/49/806161449.db2.gz JNYLABRIEHRCSJ-STQMWFEESA-N 2 2 294.399 0.910 20 0 CCADLP COc1cc(C[N@H+](C)C[C@@H](O)CO)ccc1-n1cc[nH+]c1 ZINC001234043258 806173929 /nfs/dbraw/zinc/17/39/29/806173929.db2.gz NRFFRQOGUSBDJR-CYBMUJFWSA-N 2 2 291.351 0.666 20 0 CCADLP COc1cc(C[N@@H+](C)C[C@@H](O)CO)ccc1-n1cc[nH+]c1 ZINC001234043258 806173931 /nfs/dbraw/zinc/17/39/31/806173931.db2.gz NRFFRQOGUSBDJR-CYBMUJFWSA-N 2 2 291.351 0.666 20 0 CCADLP COc1ccc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235052845 806355758 /nfs/dbraw/zinc/35/57/58/806355758.db2.gz PXMGPMMPUNQVSY-HNNXBMFYSA-N 2 2 261.369 0.833 20 0 CCADLP COc1ccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235052845 806355771 /nfs/dbraw/zinc/35/57/71/806355771.db2.gz PXMGPMMPUNQVSY-HNNXBMFYSA-N 2 2 261.369 0.833 20 0 CCADLP c1cnc2cc(C[N@@H+]3CCN[C@]4(CC[NH2+]C4)C3)ccc2n1 ZINC001235052135 806352142 /nfs/dbraw/zinc/35/21/42/806352142.db2.gz MRXQGQVVDKSRIL-INIZCTEOSA-N 2 2 283.379 0.767 20 0 CCADLP c1cnc2cc(C[N@H+]3CCN[C@]4(CC[NH2+]C4)C3)ccc2n1 ZINC001235052135 806352147 /nfs/dbraw/zinc/35/21/47/806352147.db2.gz MRXQGQVVDKSRIL-INIZCTEOSA-N 2 2 283.379 0.767 20 0 CCADLP c1cc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc2nonc12 ZINC001235052097 806353504 /nfs/dbraw/zinc/35/35/04/806353504.db2.gz DPFBFYPCBMMVEQ-CQSZACIVSA-N 2 2 273.340 0.360 20 0 CCADLP c1cc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc2nonc12 ZINC001235052097 806353514 /nfs/dbraw/zinc/35/35/14/806353514.db2.gz DPFBFYPCBMMVEQ-CQSZACIVSA-N 2 2 273.340 0.360 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N[C@H](C[NH3+])c2ccccc2)C[NH2+]1 ZINC001246075917 807142566 /nfs/dbraw/zinc/14/25/66/807142566.db2.gz MAGKNSWIVYFWBL-FRRDWIJNSA-N 2 2 263.341 0.180 20 0 CCADLP [NH3+]CC[N@@H+]1C[C@@H]2CN(Cc3cccc(F)c3)C(=O)[C@@H]2C1 ZINC001235466804 806426465 /nfs/dbraw/zinc/42/64/65/806426465.db2.gz LKARFGAITWTYGN-TZMCWYRMSA-N 2 2 277.343 0.675 20 0 CCADLP [NH3+]CC[N@H+]1C[C@@H]2CN(Cc3cccc(F)c3)C(=O)[C@@H]2C1 ZINC001235466804 806426469 /nfs/dbraw/zinc/42/64/69/806426469.db2.gz LKARFGAITWTYGN-TZMCWYRMSA-N 2 2 277.343 0.675 20 0 CCADLP C[C@H]([NH3+])C[NH+]1CCC2(CCCN2C(=O)N(C)C)CC1 ZINC001235573934 806461298 /nfs/dbraw/zinc/46/12/98/806461298.db2.gz WWKQIYOOIHGXEG-LBPRGKRZSA-N 2 2 268.405 0.946 20 0 CCADLP CC(C)C(=O)N[C@H]1COCCC12CC[NH+](CC[NH3+])CC2 ZINC001235596257 806469263 /nfs/dbraw/zinc/46/92/63/806469263.db2.gz HHKRBDPRPZGNRL-ZDUSSCGKSA-N 2 2 283.416 0.588 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+]1CC[C@@]2(CC(=O)N(c3cncnc3)C2)C1 ZINC001235637914 806479587 /nfs/dbraw/zinc/47/95/87/806479587.db2.gz OCDKDSPPWPEMMO-BXUZGUMPSA-N 2 2 275.356 0.253 20 0 CCADLP C[C@@H]([NH3+])C[N@H+]1CC[C@@]2(CC(=O)N(c3cncnc3)C2)C1 ZINC001235637914 806479590 /nfs/dbraw/zinc/47/95/90/806479590.db2.gz OCDKDSPPWPEMMO-BXUZGUMPSA-N 2 2 275.356 0.253 20 0 CCADLP [NH3+]CC[NH+]1CCC2(CC(N3CCCC3)=NO2)CC1 ZINC001235643392 806480454 /nfs/dbraw/zinc/48/04/54/806480454.db2.gz KBVJVTGRTLHNGV-UHFFFAOYSA-N 2 2 252.362 0.609 20 0 CCADLP Cn1cc(N2CC[C@]3(CCC[N@H+](CC[NH3+])C3)C2=O)cn1 ZINC001235645274 806481151 /nfs/dbraw/zinc/48/11/51/806481151.db2.gz VVCJUSOEKVEODP-AWEZNQCLSA-N 2 2 277.372 0.198 20 0 CCADLP Cn1cc(N2CC[C@]3(CCC[N@@H+](CC[NH3+])C3)C2=O)cn1 ZINC001235645274 806481157 /nfs/dbraw/zinc/48/11/57/806481157.db2.gz VVCJUSOEKVEODP-AWEZNQCLSA-N 2 2 277.372 0.198 20 0 CCADLP C[NH+](C)CCC[NH+](CCCC[NH3+])CCC[NH+](C)C ZINC001235883155 806513429 /nfs/dbraw/zinc/51/34/29/806513429.db2.gz YJKLERCNFDPYJQ-UHFFFAOYSA-N 4 2 258.454 0.931 20 0 CCADLP CS(=O)(=O)Nc1ccc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235990446 806522411 /nfs/dbraw/zinc/52/24/11/806522411.db2.gz MCLSFJNBQBGSRM-TZMCWYRMSA-N 2 2 295.408 0.981 20 0 CCADLP CS(=O)(=O)Nc1ccc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235990446 806522417 /nfs/dbraw/zinc/52/24/17/806522417.db2.gz MCLSFJNBQBGSRM-TZMCWYRMSA-N 2 2 295.408 0.981 20 0 CCADLP CCOC(=O)[C@]12C[N@H+](C[C@@H](C)C(=O)OC)C[C@H]1C[NH2+]CC2 ZINC001236037428 806532836 /nfs/dbraw/zinc/53/28/36/806532836.db2.gz HWNWRDULVCXFSV-LALPHHSUSA-N 2 2 298.383 0.270 20 0 CCADLP CCOC(=O)[C@]12C[N@@H+](C[C@@H](C)C(=O)OC)C[C@H]1C[NH2+]CC2 ZINC001236037428 806532841 /nfs/dbraw/zinc/53/28/41/806532841.db2.gz HWNWRDULVCXFSV-LALPHHSUSA-N 2 2 298.383 0.270 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1c[nH+]c2c(C)cccn12 ZINC001236197548 806550101 /nfs/dbraw/zinc/55/01/01/806550101.db2.gz SIGPGOLQOCBOKI-YPMHNXCESA-N 2 2 288.351 0.717 20 0 CCADLP c1nc2n(c1C[N@H+]1C[C@@H]3CC[NH2+]CC[C@@H]3C1)CC[NH2+]C2 ZINC001236320354 806566831 /nfs/dbraw/zinc/56/68/31/806566831.db2.gz AOXLUUOLEQABJT-BETUJISGSA-N 3 2 275.400 0.418 20 0 CCADLP c1nc2n(c1C[N@@H+]1C[C@@H]3CC[NH2+]CC[C@@H]3C1)CC[NH2+]C2 ZINC001236320354 806566838 /nfs/dbraw/zinc/56/68/38/806566838.db2.gz AOXLUUOLEQABJT-BETUJISGSA-N 3 2 275.400 0.418 20 0 CCADLP [NH3+]CC[NH+]1CCC2(CCN(CC(F)(F)F)C2=O)CC1 ZINC001236534507 806593101 /nfs/dbraw/zinc/59/31/01/806593101.db2.gz VUGFGAHVJHWPCN-UHFFFAOYSA-N 2 2 279.306 0.822 20 0 CCADLP CCOCC[NH2+]C[C@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001277989805 806599110 /nfs/dbraw/zinc/59/91/10/806599110.db2.gz HJPXSHOQTHHUDC-CYBMUJFWSA-N 2 2 294.399 0.878 20 0 CCADLP C[NH+](C)CCC[N@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccc[nH]1 ZINC001278048728 806638038 /nfs/dbraw/zinc/63/80/38/806638038.db2.gz BFCJIVSRBVNPIP-CVEARBPZSA-N 2 2 292.427 0.851 20 0 CCADLP C[NH+](C)CCC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2Cc1ccc[nH]1 ZINC001278048728 806638042 /nfs/dbraw/zinc/63/80/42/806638042.db2.gz BFCJIVSRBVNPIP-CVEARBPZSA-N 2 2 292.427 0.851 20 0 CCADLP C[NH+](C)Cc1csc(CNC(=O)C2([NH3+])CCC2)n1 ZINC000722390066 806650985 /nfs/dbraw/zinc/65/09/85/806650985.db2.gz HDXJTZJPJAGHRM-UHFFFAOYSA-N 2 2 268.386 0.702 20 0 CCADLP CCOC(=O)[C@H]1C[N@H+](C[C@H]2CCC[NH2+]2)CCC12C[NH2+]C2 ZINC001237408509 806660144 /nfs/dbraw/zinc/66/01/44/806660144.db2.gz CDISDHGTPZBUAX-CHWSQXEVSA-N 3 2 281.400 0.213 20 0 CCADLP CCOC(=O)[C@H]1C[N@@H+](C[C@H]2CCC[NH2+]2)CCC12C[NH2+]C2 ZINC001237408509 806660150 /nfs/dbraw/zinc/66/01/50/806660150.db2.gz CDISDHGTPZBUAX-CHWSQXEVSA-N 3 2 281.400 0.213 20 0 CCADLP COCCC[NH+]1CCC(C)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001278095015 806661662 /nfs/dbraw/zinc/66/16/62/806661662.db2.gz SCUHWFWXXUXSMY-UHFFFAOYSA-N 2 2 294.399 0.890 20 0 CCADLP C[NH+]1CCC(NC(=O)c2noc3c2C[N@H+](C)CC3)CC1 ZINC001278097506 806664474 /nfs/dbraw/zinc/66/44/74/806664474.db2.gz LFRNKRWWCNZQTR-UHFFFAOYSA-N 2 2 278.356 0.487 20 0 CCADLP C[NH+]1CCC(NC(=O)c2noc3c2C[N@@H+](C)CC3)CC1 ZINC001278097506 806664475 /nfs/dbraw/zinc/66/44/75/806664475.db2.gz LFRNKRWWCNZQTR-UHFFFAOYSA-N 2 2 278.356 0.487 20 0 CCADLP C[C@@H]1[C@@H](C)CN1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001120557683 798864113 /nfs/dbraw/zinc/86/41/13/798864113.db2.gz LQLWOLAVSHEXRV-WDEREUQCSA-N 2 2 254.378 0.459 20 0 CCADLP CC[NH+]1CCN([C@H](C)CNc2cc(N)[nH+]cn2)CC1 ZINC001120804662 798940600 /nfs/dbraw/zinc/94/06/00/798940600.db2.gz NXIDVTBOUZSCFI-LLVKDONJSA-N 2 2 264.377 0.497 20 0 CCADLP C[C@@H]1C[NH+](CCCNC(=O)C[C@@H]([NH3+])C(F)F)C[C@@H](C)O1 ZINC001121904436 799090045 /nfs/dbraw/zinc/09/00/45/799090045.db2.gz BYJMCMHFXMNBHS-GMTAPVOTSA-N 2 2 293.358 0.584 20 0 CCADLP C[N@@H+]1CCC[C@H](C[NH+]2CC[C@H](C(N)=O)n3nccc3C2)C1 ZINC001278143771 806715982 /nfs/dbraw/zinc/71/59/82/806715982.db2.gz VEOPJELGHQMCNR-GXTWGEPZSA-N 2 2 291.399 0.457 20 0 CCADLP C[N@H+]1CCC[C@H](C[NH+]2CC[C@H](C(N)=O)n3nccc3C2)C1 ZINC001278143771 806715989 /nfs/dbraw/zinc/71/59/89/806715989.db2.gz VEOPJELGHQMCNR-GXTWGEPZSA-N 2 2 291.399 0.457 20 0 CCADLP C[NH+]1CCC[C@H](C[N@@H+]2CC[C@H](C(N)=O)n3nccc3C2)C1 ZINC001278143771 806715991 /nfs/dbraw/zinc/71/59/91/806715991.db2.gz VEOPJELGHQMCNR-GXTWGEPZSA-N 2 2 291.399 0.457 20 0 CCADLP C[NH+]1CCC[C@H](C[N@H+]2CC[C@H](C(N)=O)n3nccc3C2)C1 ZINC001278143771 806715998 /nfs/dbraw/zinc/71/59/98/806715998.db2.gz VEOPJELGHQMCNR-GXTWGEPZSA-N 2 2 291.399 0.457 20 0 CCADLP [NH3+][C@H](CC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)C(F)F ZINC001121998275 799117908 /nfs/dbraw/zinc/11/79/08/799117908.db2.gz VEGKXQUMXSYSBP-NXEZZACHSA-N 2 2 261.316 0.569 20 0 CCADLP [NH3+][C@H](CC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)C(F)F ZINC001121998275 799117912 /nfs/dbraw/zinc/11/79/12/799117912.db2.gz VEGKXQUMXSYSBP-NXEZZACHSA-N 2 2 261.316 0.569 20 0 CCADLP CCO[C@H](CC)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001122157531 799157183 /nfs/dbraw/zinc/15/71/83/799157183.db2.gz OCEAFDAKERUIOV-GFCCVEGCSA-N 2 2 257.378 0.341 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC001122175550 799162583 /nfs/dbraw/zinc/16/25/83/799162583.db2.gz ZPGOVIHZJMGPHF-RYUDHWBXSA-N 2 2 257.378 0.211 20 0 CCADLP [NH3+][C@@H]1CC[C@H](CNC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC001122242172 799178133 /nfs/dbraw/zinc/17/81/33/799178133.db2.gz YGPCJIMJPDFGCN-RUHGSLFBSA-N 2 2 267.373 0.118 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@]1(C)CC[NH2+]C1 ZINC001122254556 799180650 /nfs/dbraw/zinc/18/06/50/799180650.db2.gz OWRMKJWQPBNOOU-TZMCWYRMSA-N 2 2 269.389 0.213 20 0 CCADLP CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001122566015 799263402 /nfs/dbraw/zinc/26/34/02/799263402.db2.gz LWEJXQOVOLLVJB-DCQANWLSSA-N 2 2 260.341 0.122 20 0 CCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H](O)C3)s2)CC1 ZINC001139319607 799804413 /nfs/dbraw/zinc/80/44/13/799804413.db2.gz JZVXGFRYNHIZQP-LBPRGKRZSA-N 2 2 296.440 0.852 20 0 CCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H](O)C3)s2)CC1 ZINC001139319607 799804420 /nfs/dbraw/zinc/80/44/20/799804420.db2.gz JZVXGFRYNHIZQP-LBPRGKRZSA-N 2 2 296.440 0.852 20 0 CCADLP Cc1ncc(CO)c(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1O ZINC001140868630 799952894 /nfs/dbraw/zinc/95/28/94/799952894.db2.gz BUWIPVRTQFDYCY-BETUJISGSA-N 2 2 277.368 0.581 20 0 CCADLP Cc1ncc(CO)c(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1O ZINC001140868630 799952901 /nfs/dbraw/zinc/95/29/01/799952901.db2.gz BUWIPVRTQFDYCY-BETUJISGSA-N 2 2 277.368 0.581 20 0 CCADLP Cc1ncc(CO)c(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1O ZINC001140868630 799952908 /nfs/dbraw/zinc/95/29/08/799952908.db2.gz BUWIPVRTQFDYCY-BETUJISGSA-N 2 2 277.368 0.581 20 0 CCADLP Cc1ncc(CO)c(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1O ZINC001140868630 799952914 /nfs/dbraw/zinc/95/29/14/799952914.db2.gz BUWIPVRTQFDYCY-BETUJISGSA-N 2 2 277.368 0.581 20 0 CCADLP CN1CC[NH+](CCC(=O)NC2C[NH+](C(C)(C)C)C2)CC1 ZINC001143237354 800214191 /nfs/dbraw/zinc/21/41/91/800214191.db2.gz LEPYDOHZCDDAFN-UHFFFAOYSA-N 2 2 282.432 0.223 20 0 CCADLP C[NH+]1CCN(CCC(=O)NC2C[NH+](C(C)(C)C)C2)CC1 ZINC001143237354 800214196 /nfs/dbraw/zinc/21/41/96/800214196.db2.gz LEPYDOHZCDDAFN-UHFFFAOYSA-N 2 2 282.432 0.223 20 0 CCADLP [NH3+]CC[NH2+]CCNS(=O)(=O)c1ccc2c(c1)CCC2 ZINC001238838872 806812508 /nfs/dbraw/zinc/81/25/08/806812508.db2.gz NIZVYKXWKVNSTE-UHFFFAOYSA-N 2 2 283.397 0.002 20 0 CCADLP CC(C)OCCC[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149571031 800276480 /nfs/dbraw/zinc/27/64/80/800276480.db2.gz LVVABVYJOAZZEC-UHFFFAOYSA-N 2 2 296.415 0.874 20 0 CCADLP CC(C)[N@@H+]1CCCO[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001149631016 800284602 /nfs/dbraw/zinc/28/46/02/800284602.db2.gz FEVKPZXFGNEMEO-ZDUSSCGKSA-N 2 2 294.399 0.958 20 0 CCADLP CC(C)[N@H+]1CCCO[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001149631016 800284607 /nfs/dbraw/zinc/28/46/07/800284607.db2.gz FEVKPZXFGNEMEO-ZDUSSCGKSA-N 2 2 294.399 0.958 20 0 CCADLP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@H+](CCF)CCCO1 ZINC001150481549 800337848 /nfs/dbraw/zinc/33/78/48/800337848.db2.gz YSBGJLGKXVVIHG-CYBMUJFWSA-N 2 2 289.395 0.505 20 0 CCADLP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](CCF)CCCO1 ZINC001150481549 800337850 /nfs/dbraw/zinc/33/78/50/800337850.db2.gz YSBGJLGKXVVIHG-CYBMUJFWSA-N 2 2 289.395 0.505 20 0 CCADLP CCc1nocc1C[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151147387 800404600 /nfs/dbraw/zinc/40/46/00/800404600.db2.gz LQZATSWVAMJKGG-UHFFFAOYSA-N 2 2 291.355 0.648 20 0 CCADLP Cc1nonc1C[NH2+]CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001152138095 800494296 /nfs/dbraw/zinc/49/42/96/800494296.db2.gz RDMIEGTUDNEFFS-PHIMTYICSA-N 2 2 295.387 0.457 20 0 CCADLP Cc1nonc1C[NH2+]CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001152138095 800494302 /nfs/dbraw/zinc/49/43/02/800494302.db2.gz RDMIEGTUDNEFFS-PHIMTYICSA-N 2 2 295.387 0.457 20 0 CCADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[NH2+]Cc1nncs1 ZINC001152147391 800495912 /nfs/dbraw/zinc/49/59/12/800495912.db2.gz MSRAGWIUKKJKIO-QWRGUYRKSA-N 2 2 297.428 0.617 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]Cc1cc(C2CC2)no1 ZINC001153495417 800635209 /nfs/dbraw/zinc/63/52/09/800635209.db2.gz IWUDQKHVHVFJJA-UHFFFAOYSA-N 2 2 289.339 0.655 20 0 CCADLP CN(Cc1ccc(-n2cc[nH+]c2)cc1)S(=O)(=O)CC[NH3+] ZINC001239119032 806853423 /nfs/dbraw/zinc/85/34/23/806853423.db2.gz ONACICHIAXUJFW-UHFFFAOYSA-N 2 2 294.380 0.593 20 0 CCADLP CC[N@H+](CCO)[C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001154066654 800716694 /nfs/dbraw/zinc/71/66/94/800716694.db2.gz TYJNCPKYYSXJPB-OLZOCXBDSA-N 2 2 294.399 0.264 20 0 CCADLP CC[N@@H+](CCO)[C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001154066654 800716697 /nfs/dbraw/zinc/71/66/97/800716697.db2.gz TYJNCPKYYSXJPB-OLZOCXBDSA-N 2 2 294.399 0.264 20 0 CCADLP CC[N@@H+]1CCN(S(=O)(=O)CC2CC[NH2+]CC2)[C@H](C)C1 ZINC001239175184 806862492 /nfs/dbraw/zinc/86/24/92/806862492.db2.gz SCCSBCORIFYKDF-GFCCVEGCSA-N 2 2 289.445 0.342 20 0 CCADLP CC[N@H+]1CCN(S(=O)(=O)CC2CC[NH2+]CC2)[C@H](C)C1 ZINC001239175184 806862497 /nfs/dbraw/zinc/86/24/97/806862497.db2.gz SCCSBCORIFYKDF-GFCCVEGCSA-N 2 2 289.445 0.342 20 0 CCADLP Nc1ccc[nH+]c1N1CCN(c2cc[nH+]c(N)n2)CC1 ZINC001154783200 800845757 /nfs/dbraw/zinc/84/57/57/800845757.db2.gz PMTOSTQXKYDGSH-UHFFFAOYSA-N 2 2 271.328 0.363 20 0 CCADLP Cc1nc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)cc(C(C)C)[nH+]1 ZINC001155571133 801009533 /nfs/dbraw/zinc/00/95/33/801009533.db2.gz RWGDVDGVSONLEP-FZMZJTMJSA-N 2 2 275.356 0.898 20 0 CCADLP Cc1cc[nH+]c(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)c1C(N)=O ZINC001155617869 801022312 /nfs/dbraw/zinc/02/23/12/801022312.db2.gz BBIUVGHADPCLCT-NHYWBVRUSA-N 2 2 290.367 0.812 20 0 CCADLP Cc1nc(N(C)C)nc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)[nH+]1 ZINC001155624540 801023740 /nfs/dbraw/zinc/02/37/40/801023740.db2.gz WGEZZWOYTREJPA-BXUZGUMPSA-N 2 2 292.387 0.569 20 0 CCADLP CCOCC[N@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157298327 801347674 /nfs/dbraw/zinc/34/76/74/801347674.db2.gz JYVUODPLRHQAIH-CYBMUJFWSA-N 2 2 282.388 0.746 20 0 CCADLP CCOCC[N@@H+](CC)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157298327 801347683 /nfs/dbraw/zinc/34/76/83/801347683.db2.gz JYVUODPLRHQAIH-CYBMUJFWSA-N 2 2 282.388 0.746 20 0 CCADLP C[NH+]1CCN(c2cccc(NC3(CO)COC3)[nH+]2)CC1 ZINC001157396151 801368622 /nfs/dbraw/zinc/36/86/22/801368622.db2.gz XMLXLDCUEHKKNA-UHFFFAOYSA-N 2 2 278.356 0.007 20 0 CCADLP Cc1cc(N(C(N)=[NH2+])C(=O)[C@H]2Cc3ccccc3C[NH2+]2)n[nH]1 ZINC001157439558 801382354 /nfs/dbraw/zinc/38/23/54/801382354.db2.gz KDGPVJIVYGBMMX-GFCCVEGCSA-N 2 2 298.350 0.659 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC(=O)[C@H]2CCCC[C@H]21 ZINC001157566908 801422713 /nfs/dbraw/zinc/42/27/13/801422713.db2.gz GIZAQUZWAVWNQT-GARJFASQSA-N 2 2 253.346 0.023 20 0 CCADLP [NH3+]C[C@]1(F)CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001157730250 801465761 /nfs/dbraw/zinc/46/57/61/801465761.db2.gz KYGJEEDPUIQHGT-LBPRGKRZSA-N 2 2 254.309 0.632 20 0 CCADLP C[NH+]1CCN(c2cccc(N3CC[C@](F)(C[NH3+])C3)[nH+]2)CC1 ZINC001157818036 801495675 /nfs/dbraw/zinc/49/56/75/801495675.db2.gz PDQNTQUTXFRKCQ-HNNXBMFYSA-N 3 2 293.390 0.711 20 0 CCADLP C[NH+]1CCC(C[NH+]2CCN(c3cc(N)[nH+]cn3)CC2)CC1 ZINC001157842063 801498016 /nfs/dbraw/zinc/49/80/16/801498016.db2.gz LUPRXGTXTGZJQP-UHFFFAOYSA-N 3 2 290.415 0.523 20 0 CCADLP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001157846337 801500586 /nfs/dbraw/zinc/50/05/86/801500586.db2.gz GZTLXRPJVKMUSV-KCPJHIHWSA-N 3 2 290.411 0.845 20 0 CCADLP CN(C)C(=O)c1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)nc1 ZINC001157914499 801518173 /nfs/dbraw/zinc/51/81/73/801518173.db2.gz GCKBLERIMAKPOY-UHFFFAOYSA-N 2 2 290.371 0.377 20 0 CCADLP C[C@]1(F)CCCCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001157914408 801518851 /nfs/dbraw/zinc/51/88/51/801518851.db2.gz JMDTVPCKIZRJGY-FMSGJZPZSA-N 2 2 269.364 0.677 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cc(C3CC3)ncn2)CC1 ZINC001157916171 801520614 /nfs/dbraw/zinc/52/06/14/801520614.db2.gz LOUIYWHCSQZJPT-UHFFFAOYSA-N 2 2 260.345 0.948 20 0 CCADLP O=C([C@@H]1C[NH2+]CCC1=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157970581 801543640 /nfs/dbraw/zinc/54/36/40/801543640.db2.gz RJRJROXVDKINME-ZIAGYGMSSA-N 2 2 287.363 0.338 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)NCCC[NH2+]C[C@@H](C)O)ccn12 ZINC001158062419 801561721 /nfs/dbraw/zinc/56/17/21/801561721.db2.gz WERDVLVRCIUWCA-GFCCVEGCSA-N 2 2 290.367 0.733 20 0 CCADLP Cc1nc(CC[NH3+])nn1-c1cc(N(C)C)[nH+]c(C)n1 ZINC001158128395 801575001 /nfs/dbraw/zinc/57/50/01/801575001.db2.gz DEPOIEXMIYIWRD-UHFFFAOYSA-N 2 2 261.333 0.241 20 0 CCADLP CSc1ccnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158203571 801591203 /nfs/dbraw/zinc/59/12/03/801591203.db2.gz GFQIFINXQZNCCI-MRVPVSSYSA-N 2 2 265.342 0.246 20 0 CCADLP COc1ccc2nc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)ncc2c1 ZINC001158206195 801594490 /nfs/dbraw/zinc/59/44/90/801594490.db2.gz CFRYKWTVKSCHCJ-LLVKDONJSA-N 2 2 299.334 0.686 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3cccc(Cl)[n+]3[O-])CC2)C1 ZINC001158258857 801609018 /nfs/dbraw/zinc/60/90/18/801609018.db2.gz KHYDGLYCWABIHI-LLVKDONJSA-N 2 2 296.802 0.975 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](C2CCN(c3cccc(Cl)[n+]3[O-])CC2)C1 ZINC001158258857 801609020 /nfs/dbraw/zinc/60/90/20/801609020.db2.gz KHYDGLYCWABIHI-LLVKDONJSA-N 2 2 296.802 0.975 20 0 CCADLP COc1ncc(F)c(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158262719 801609860 /nfs/dbraw/zinc/60/98/60/801609860.db2.gz USSTYSXVFJOQRB-JTQLQIEISA-N 2 2 295.362 0.626 20 0 CCADLP COc1ncc(F)c(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158262719 801609866 /nfs/dbraw/zinc/60/98/66/801609866.db2.gz USSTYSXVFJOQRB-JTQLQIEISA-N 2 2 295.362 0.626 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@@H]3CCO[C@H]3C2)cc1 ZINC001158339214 801622390 /nfs/dbraw/zinc/62/23/90/801622390.db2.gz KOCJCHGDLIZBMO-SNPRPXQTSA-N 2 2 289.379 0.896 20 0 CCADLP Cc1cnc(NC[C@H]2COCC[N@H+]2C)c(C[NH3+])c1 ZINC001158707941 801688700 /nfs/dbraw/zinc/68/87/00/801688700.db2.gz UZLWMTXQFAIWFM-LBPRGKRZSA-N 2 2 250.346 0.591 20 0 CCADLP Cc1cnc(NC[C@H]2COCC[N@@H+]2C)c(C[NH3+])c1 ZINC001158707941 801688704 /nfs/dbraw/zinc/68/87/04/801688704.db2.gz UZLWMTXQFAIWFM-LBPRGKRZSA-N 2 2 250.346 0.591 20 0 CCADLP C[C@H](Nc1ccc(Cn2cncn2)c[nH+]1)[C@@H]1C[NH2+]CCO1 ZINC001159501802 801826317 /nfs/dbraw/zinc/82/63/17/801826317.db2.gz JWFLAMYWCVFXSX-AAEUAGOBSA-N 2 2 288.355 0.510 20 0 CCADLP [NH3+]CCC[C@@H]([NH3+])Nc1cccc(N2CCC([NH3+])CC2)[nH+]1 ZINC001159787335 801872782 /nfs/dbraw/zinc/87/27/82/801872782.db2.gz ULTKSMRPNPGPKP-LBPRGKRZSA-N 4 2 278.404 0.445 20 0 CCADLP Cc1nc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)cc(N(C)C)[nH+]1 ZINC001160510011 801953846 /nfs/dbraw/zinc/95/38/46/801953846.db2.gz DCXYUZLPRMFKGB-HNNXBMFYSA-N 3 2 290.415 0.686 20 0 CCADLP CN(C)c1cc[nH+]c(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)c1 ZINC001160509898 801953905 /nfs/dbraw/zinc/95/39/05/801953905.db2.gz COHVOVXFFZBXFE-OAHLLOKOSA-N 3 2 275.400 0.983 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[C@H](c2cccnc2)C1 ZINC001160523348 801960552 /nfs/dbraw/zinc/96/05/52/801960552.db2.gz ASDOYOTXUOQSRM-ZFWWWQNUSA-N 2 2 299.378 0.701 20 0 CCADLP CC(C)C[C@@H](C(=O)NCCC[NH2+]CCCO)n1cc[nH+]c1 ZINC001160534807 801964328 /nfs/dbraw/zinc/96/43/28/801964328.db2.gz OYFDMNBXYQTLKZ-AWEZNQCLSA-N 2 2 296.415 0.949 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCc2ncccc2C1 ZINC001160548623 801968423 /nfs/dbraw/zinc/96/84/23/801968423.db2.gz KBAPQUSLILSXQW-ZDUSSCGKSA-N 2 2 285.351 0.270 20 0 CCADLP Cn1ncc2c1CN(C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)C2 ZINC001160566264 801971010 /nfs/dbraw/zinc/97/10/10/801971010.db2.gz OTNXMOVYCIXMOV-ZDUSSCGKSA-N 2 2 285.351 0.535 20 0 CCADLP Cn1ncc2c1CN(C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)C2 ZINC001160566263 801971561 /nfs/dbraw/zinc/97/15/61/801971561.db2.gz OTNXMOVYCIXMOV-CYBMUJFWSA-N 2 2 285.351 0.535 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@@H]([NH3+])[C@@H](F)C2)cc1 ZINC001160650060 801990899 /nfs/dbraw/zinc/99/08/99/801990899.db2.gz QSZHNQLBGIXDGR-XQQFMLRXSA-N 3 2 280.347 0.156 20 0 CCADLP CCN(CC(C)(C)O)C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001160756023 802014991 /nfs/dbraw/zinc/01/49/91/802014991.db2.gz YZRCCOZDPYIZGV-CYBMUJFWSA-N 2 2 279.384 0.878 20 0 CCADLP CCN(C(=O)[C@@H]1C[C@@H](OC(C)(C)C)C[NH2+]1)C1C[NH+](C)C1 ZINC001161137641 802099985 /nfs/dbraw/zinc/09/99/85/802099985.db2.gz FUQQGZHQCIONCH-OLZOCXBDSA-N 2 2 283.416 0.695 20 0 CCADLP CN(C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)[C@H]1CCC2(C1)OCCO2 ZINC001161219027 802110596 /nfs/dbraw/zinc/11/05/96/802110596.db2.gz MKQPSSCRTIMWOI-NWDGAFQWSA-N 2 2 294.355 0.034 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@](F)(C[NH3+])C2)cc1 ZINC001161245013 802115928 /nfs/dbraw/zinc/11/59/28/802115928.db2.gz AQQQTYMKQKJBPN-JSGCOSHPSA-N 3 2 280.347 0.158 20 0 CCADLP COC[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001161323373 802127384 /nfs/dbraw/zinc/12/73/84/802127384.db2.gz JQYJDUXORYCSJG-STQMWFEESA-N 2 2 294.399 0.576 20 0 CCADLP CCC[NH2+]CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001161324474 802127408 /nfs/dbraw/zinc/12/74/08/802127408.db2.gz WACHFODPLMZECZ-GFCCVEGCSA-N 2 2 264.373 0.951 20 0 CCADLP C[C@H](C(=O)N(C)C1CC[NH+](C)CC1)n1cc[nH+]c1 ZINC000056482190 802154615 /nfs/dbraw/zinc/15/46/15/802154615.db2.gz QWGONECORQJOMG-LLVKDONJSA-N 2 2 250.346 0.997 20 0 CCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N(C1CCC1)C1CCOCC1 ZINC001161460996 802158440 /nfs/dbraw/zinc/15/84/40/802158440.db2.gz PWVUXBNHRQSHDH-TUKIKUTGSA-N 2 2 293.411 0.496 20 0 CCADLP [NH3+]C1(C(=O)N2CC[C@H]([NH+]3CCCC3)C(F)(F)C2)CC1 ZINC001161470387 802159314 /nfs/dbraw/zinc/15/93/14/802159314.db2.gz FKHCCWQBTMGWHR-JTQLQIEISA-N 2 2 273.327 0.810 20 0 CCADLP Nc1[nH]c2ccc(C(=O)N3CC[NH2+]C4(CC4)C3)cc2[nH+]1 ZINC001161559958 802182953 /nfs/dbraw/zinc/18/29/53/802182953.db2.gz KANIVIOETZYMIK-UHFFFAOYSA-N 2 2 271.324 0.723 20 0 CCADLP Nc1[nH]c2cc(C(=O)N3CC[NH2+]C4(CC4)C3)ccc2[nH+]1 ZINC001161559958 802182970 /nfs/dbraw/zinc/18/29/70/802182970.db2.gz KANIVIOETZYMIK-UHFFFAOYSA-N 2 2 271.324 0.723 20 0 CCADLP Cc1nc(N(C)C)nc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)[nH+]1 ZINC001162798187 802420309 /nfs/dbraw/zinc/42/03/09/802420309.db2.gz RWKAFHJLDCEMES-OUAUKWLOSA-N 2 2 260.345 0.432 20 0 CCADLP COCCOc1cc(NC[C@]23C[NH2+]C[C@H]2COC3)cc[nH+]1 ZINC001163158272 802497891 /nfs/dbraw/zinc/49/78/91/802497891.db2.gz GAOYETTYIRJQDD-WFASDCNBSA-N 2 2 293.367 0.755 20 0 CCADLP Fc1c[nH+]ccc1N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163325701 802533843 /nfs/dbraw/zinc/53/38/43/802533843.db2.gz XISKEAIWGRPJDD-GXFFZTMASA-N 2 2 251.305 0.966 20 0 CCADLP CC[C@@H](C[NH2+]CCCNC(=O)CCn1cc[nH+]c1)OC ZINC001163593315 802574462 /nfs/dbraw/zinc/57/44/62/802574462.db2.gz GTFGEXBKQBEPAQ-ZDUSSCGKSA-N 2 2 282.388 0.794 20 0 CCADLP OC1CC2(C1)CN(c1ccc(N3CC[NH2+]CC3)c[nH+]1)C2 ZINC001163737567 802601747 /nfs/dbraw/zinc/60/17/47/802601747.db2.gz BPZKTYVWXZGQRY-UHFFFAOYSA-N 2 2 274.368 0.452 20 0 CCADLP Cc1[nH+]ccn1CCNc1[nH+]cnc2[nH]cc(C(N)=O)c21 ZINC001163920090 802632814 /nfs/dbraw/zinc/63/28/14/802632814.db2.gz RALBZIHOISUCCX-UHFFFAOYSA-N 2 2 285.311 0.625 20 0 CCADLP C[NH+](C)C1CN(c2cccc(N3CCOCC3)[nH+]2)C1 ZINC001163940890 802638215 /nfs/dbraw/zinc/63/82/15/802638215.db2.gz YVXFONQPXUIVGN-UHFFFAOYSA-N 2 2 262.357 0.668 20 0 CCADLP O[C@@H]1CCN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)CC[C@H]1F ZINC001164236465 802693201 /nfs/dbraw/zinc/69/32/01/802693201.db2.gz ASUCGFLLGPTWFW-ZIAGYGMSSA-N 2 2 294.374 0.790 20 0 CCADLP Cc1[nH+]cn(-c2ccc(N3CC[C@H]([NH3+])C3)nn2)c1C ZINC001164280995 802704381 /nfs/dbraw/zinc/70/43/81/802704381.db2.gz OIMQCDBVUNPLES-NSHDSACASA-N 2 2 258.329 0.817 20 0 CCADLP CCOC(=O)Cc1cc[nH+]c(N2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)c1 ZINC001165386026 802832463 /nfs/dbraw/zinc/83/24/63/802832463.db2.gz XNMMKVZWEJKCMC-GNXNZQSNSA-N 2 2 261.325 0.581 20 0 CCADLP c1cc(N2CCC[C@H]3[NH2+]C[C@@H]32)nc(N2CCOCC2)[nH+]1 ZINC001165396053 802835292 /nfs/dbraw/zinc/83/52/92/802835292.db2.gz YKCGFSJHCJXUBI-NEPJUHHUSA-N 2 2 275.356 0.254 20 0 CCADLP CN(C)C(=O)C1CN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC001166737511 802953765 /nfs/dbraw/zinc/95/37/65/802953765.db2.gz JURUSVWMMDWNQS-UHFFFAOYSA-N 2 2 289.383 0.016 20 0 CCADLP COC(=O)C1([NH3+])CCN(c2[nH+]cc(C)cc2OC)CC1 ZINC001166797647 802962399 /nfs/dbraw/zinc/96/23/99/802962399.db2.gz UXWOYZRUVGETIN-UHFFFAOYSA-N 2 2 279.340 0.869 20 0 CCADLP COCC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001203530340 803033387 /nfs/dbraw/zinc/03/33/87/803033387.db2.gz HKTCYLJSPUBNQY-VXGBXAGGSA-N 2 2 292.383 0.616 20 0 CCADLP CC[N@@H+]1CCO[C@@H]2CN(Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC001204590363 803092930 /nfs/dbraw/zinc/09/29/30/803092930.db2.gz FKAAIUKAISHJGQ-GXTWGEPZSA-N 2 2 264.373 0.871 20 0 CCADLP CC[N@H+]1CCO[C@@H]2CN(Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC001204590363 803092937 /nfs/dbraw/zinc/09/29/37/803092937.db2.gz FKAAIUKAISHJGQ-GXTWGEPZSA-N 2 2 264.373 0.871 20 0 CCADLP COC(=O)c1cnc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cn1 ZINC001205141223 803121376 /nfs/dbraw/zinc/12/13/76/803121376.db2.gz YRZPAELGIJFXQG-VHSXEESVSA-N 2 2 264.329 0.290 20 0 CCADLP COC(=O)c1cnc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cn1 ZINC001205141223 803121379 /nfs/dbraw/zinc/12/13/79/803121379.db2.gz YRZPAELGIJFXQG-VHSXEESVSA-N 2 2 264.329 0.290 20 0 CCADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1CC1=C2CCOC(=O)C2=CN[C@H]1C ZINC001205177303 803124024 /nfs/dbraw/zinc/12/40/24/803124024.db2.gz JINBJRZYCHUAIB-IMSIIYSGSA-N 2 2 277.368 0.527 20 0 CCADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1CC1=C2CCOC(=O)C2=CN[C@H]1C ZINC001205177303 803124030 /nfs/dbraw/zinc/12/40/30/803124030.db2.gz JINBJRZYCHUAIB-IMSIIYSGSA-N 2 2 277.368 0.527 20 0 CCADLP CC(=O)Nc1nc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)cs1 ZINC001205241182 803129036 /nfs/dbraw/zinc/12/90/36/803129036.db2.gz RHRZXAKLJORUTQ-ZDUSSCGKSA-N 2 2 298.412 0.777 20 0 CCADLP CC(=O)Nc1nc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cs1 ZINC001205241182 803129041 /nfs/dbraw/zinc/12/90/41/803129041.db2.gz RHRZXAKLJORUTQ-ZDUSSCGKSA-N 2 2 298.412 0.777 20 0 CCADLP C[C@H](O)C[NH2+]CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001205432796 803141606 /nfs/dbraw/zinc/14/16/06/803141606.db2.gz HSTAGPLRTOZNMO-LBPRGKRZSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](O)C[NH2+]CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001205432796 803141610 /nfs/dbraw/zinc/14/16/10/803141610.db2.gz HSTAGPLRTOZNMO-LBPRGKRZSA-N 2 2 294.399 0.551 20 0 CCADLP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cn3c(n2)C[NH2+]CC3)CC1 ZINC001205558959 803147936 /nfs/dbraw/zinc/14/79/36/803147936.db2.gz MCZUFEOWELGIRS-CQSZACIVSA-N 3 2 281.379 0.639 20 0 CCADLP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cn3c(n2)C[NH2+]CC3)CC1 ZINC001205558959 803147939 /nfs/dbraw/zinc/14/79/39/803147939.db2.gz MCZUFEOWELGIRS-CQSZACIVSA-N 3 2 281.379 0.639 20 0 CCADLP C[C@@H](F)CC[N@@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001269354919 813336760 /nfs/dbraw/zinc/33/67/60/813336760.db2.gz BVNKVFNKYRVZLD-VXGBXAGGSA-N 2 2 268.336 0.822 20 0 CCADLP C[C@@H](F)CC[N@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001269354919 813336766 /nfs/dbraw/zinc/33/67/66/813336766.db2.gz BVNKVFNKYRVZLD-VXGBXAGGSA-N 2 2 268.336 0.822 20 0 CCADLP Cc1cc(C[N@H+](C)CCN2CC[NH+](C)CC2)n(C)n1 ZINC001205918773 803186036 /nfs/dbraw/zinc/18/60/36/803186036.db2.gz FAALYKFSHICJCL-UHFFFAOYSA-N 2 2 265.405 0.408 20 0 CCADLP Cc1cc(C[N@@H+](C)CCN2CC[NH+](C)CC2)n(C)n1 ZINC001205918773 803186042 /nfs/dbraw/zinc/18/60/42/803186042.db2.gz FAALYKFSHICJCL-UHFFFAOYSA-N 2 2 265.405 0.408 20 0 CCADLP CC(=O)Oc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1 ZINC001205953050 803190488 /nfs/dbraw/zinc/19/04/88/803190488.db2.gz ISSKUPQWCOLPRP-ZIAGYGMSSA-N 2 2 264.325 0.506 20 0 CCADLP CC(=O)Oc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1 ZINC001205953050 803190494 /nfs/dbraw/zinc/19/04/94/803190494.db2.gz ISSKUPQWCOLPRP-ZIAGYGMSSA-N 2 2 264.325 0.506 20 0 CCADLP Cn1cnc2ccc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](O)C3)cc21 ZINC001205958461 803190707 /nfs/dbraw/zinc/19/07/07/803190707.db2.gz CSSWJPQJCCHBCS-BXUZGUMPSA-N 2 2 260.341 0.467 20 0 CCADLP Cn1cnc2ccc(C[N@H+]3CC[C@@H]([NH3+])[C@H](O)C3)cc21 ZINC001205958461 803190711 /nfs/dbraw/zinc/19/07/11/803190711.db2.gz CSSWJPQJCCHBCS-BXUZGUMPSA-N 2 2 260.341 0.467 20 0 CCADLP [NH3+]C[C@@]1(F)CCCCN(CC2=CS[C@H]([NH3+])N2)C1 ZINC001206334941 803230106 /nfs/dbraw/zinc/23/01/06/803230106.db2.gz BAUVMQFIUWZFAT-MNOVXSKESA-N 2 2 260.382 0.559 20 0 CCADLP COc1nc2ccccc2cc1C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206465137 803246641 /nfs/dbraw/zinc/24/66/41/803246641.db2.gz WWGYKLKQTJOUDF-DZGCQCFKSA-N 2 2 287.363 0.995 20 0 CCADLP COc1nc2ccccc2cc1C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206465137 803246647 /nfs/dbraw/zinc/24/66/47/803246647.db2.gz WWGYKLKQTJOUDF-DZGCQCFKSA-N 2 2 287.363 0.995 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C[C@H]1O ZINC001206470268 803248385 /nfs/dbraw/zinc/24/83/85/803248385.db2.gz VUKXOHOSHCEZPM-SWLSCSKDSA-N 2 2 290.342 0.763 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C[C@H]1O ZINC001206470268 803248392 /nfs/dbraw/zinc/24/83/92/803248392.db2.gz VUKXOHOSHCEZPM-SWLSCSKDSA-N 2 2 290.342 0.763 20 0 CCADLP CCOC(=O)c1ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)nc1 ZINC001206530811 803260866 /nfs/dbraw/zinc/26/08/66/803260866.db2.gz PUZDUXJOBJYDIB-AAEUAGOBSA-N 2 2 279.340 0.010 20 0 CCADLP CCOC(=O)c1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)nc1 ZINC001206530811 803260873 /nfs/dbraw/zinc/26/08/73/803260873.db2.gz PUZDUXJOBJYDIB-AAEUAGOBSA-N 2 2 279.340 0.010 20 0 CCADLP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206530960 803261704 /nfs/dbraw/zinc/26/17/04/803261704.db2.gz YDJAQHLRULVAJS-ZFWWWQNUSA-N 3 2 281.375 0.639 20 0 CCADLP C[NH+](C)Cc1cc(F)cc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206530960 803261709 /nfs/dbraw/zinc/26/17/09/803261709.db2.gz YDJAQHLRULVAJS-ZFWWWQNUSA-N 3 2 281.375 0.639 20 0 CCADLP C[NH+](C)CCN1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001208127925 803493815 /nfs/dbraw/zinc/49/38/15/803493815.db2.gz ZROGNEMEBLXRBP-UHFFFAOYSA-N 2 2 288.399 0.548 20 0 CCADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCN(C3COC3)CC2)C1 ZINC001208604781 803526794 /nfs/dbraw/zinc/52/67/94/803526794.db2.gz VABHTYYTUJDMAF-CYBMUJFWSA-N 2 2 253.390 0.345 20 0 CCADLP C[N@H+]1CCC[C@@H](C[NH+]2CCN(C3COC3)CC2)C1 ZINC001208604781 803526797 /nfs/dbraw/zinc/52/67/97/803526797.db2.gz VABHTYYTUJDMAF-CYBMUJFWSA-N 2 2 253.390 0.345 20 0 CCADLP C[NH+]1CCN(C2C[NH+](CCCC3OCCO3)C2)CC1 ZINC001209309574 803593509 /nfs/dbraw/zinc/59/35/09/803593509.db2.gz QEJUTOOGIGSIEH-UHFFFAOYSA-N 2 2 269.389 0.071 20 0 CCADLP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC001209731188 803625855 /nfs/dbraw/zinc/62/58/55/803625855.db2.gz PWRHQGHCMYZIMC-GFCCVEGCSA-N 2 2 258.329 0.923 20 0 CCADLP Nc1cc[nH+]cc1C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC001209731188 803625858 /nfs/dbraw/zinc/62/58/58/803625858.db2.gz PWRHQGHCMYZIMC-GFCCVEGCSA-N 2 2 258.329 0.923 20 0 CCADLP C[C@@H](CC(=O)N1CCC[C@@H]([NH2+]CCCO)C1)n1cc[nH+]c1 ZINC001209865245 803632721 /nfs/dbraw/zinc/63/27/21/803632721.db2.gz DYACVXJLVGDWIZ-UONOGXRCSA-N 2 2 294.399 0.797 20 0 CCADLP [NH3+]C[C@@H](O)c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001211414418 803680321 /nfs/dbraw/zinc/68/03/21/803680321.db2.gz PCXJAVSILNOWHF-LLVKDONJSA-N 2 2 271.280 0.914 20 0 CCADLP CN(C)c1ccc(-c2nnc([C@H]3C[NH2+]C[C@@H]3[NH3+])o2)cc1 ZINC001217743029 803910408 /nfs/dbraw/zinc/91/04/08/803910408.db2.gz AJIXZEVFTKRRMF-RYUDHWBXSA-N 2 2 273.340 0.817 20 0 CCADLP FC1(F)C[NH2+]C[C@@H](OC[C@H]2C[C@H]3CC[NH2+]C[C@@H]3O2)C1 ZINC001217856378 803921677 /nfs/dbraw/zinc/92/16/77/803921677.db2.gz PHCQDOMMKUMJKC-WYUUTHIRSA-N 2 2 276.327 0.767 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Oc2cccc3c2CC[NH2+]C3)C[NH2+]1 ZINC001218174052 803934239 /nfs/dbraw/zinc/93/42/39/803934239.db2.gz LGMUMAGTBLTOEA-YPMHNXCESA-N 2 2 276.336 0.615 20 0 CCADLP Cc1cnc(NC(=O)C[NH2+]C2CC[NH2+]CC2)nc1C ZINC001218495379 803961450 /nfs/dbraw/zinc/96/14/50/803961450.db2.gz DLMYVRGFKVSYRI-UHFFFAOYSA-N 2 2 263.345 0.374 20 0 CCADLP Cc1cc(C[C@H](C)NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)on1 ZINC001218500190 803966535 /nfs/dbraw/zinc/96/65/35/803966535.db2.gz CSMOQXNCBQGKKT-UFBFGSQYSA-N 2 2 277.328 0.323 20 0 CCADLP Cc1c[nH]nc1NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001218515010 803978359 /nfs/dbraw/zinc/97/83/59/803978359.db2.gz IDGSILMEJABFIG-NSHDSACASA-N 2 2 259.313 0.929 20 0 CCADLP Cc1cc(O)cnc1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218518039 803980253 /nfs/dbraw/zinc/98/02/53/803980253.db2.gz MKVUEKLQCYXXQB-BREBYQMCSA-N 2 2 262.313 0.256 20 0 CCADLP Cc1cc(F)ncc1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218550046 804000705 /nfs/dbraw/zinc/00/07/05/804000705.db2.gz VEYKEPXZTIOFKQ-SECBINFHSA-N 2 2 263.276 0.761 20 0 CCADLP Cn1ncc2cc(NC(=O)C[NH2+]C3CC[NH2+]CC3)cnc21 ZINC001218614599 804036034 /nfs/dbraw/zinc/03/60/34/804036034.db2.gz FNUXMCDHKYHOIY-UHFFFAOYSA-N 2 2 288.355 0.248 20 0 CCADLP [NH3+]C1(C(=O)Nc2ccnn2CC2CC2)CC[NH2+]CC1 ZINC001218629072 804045856 /nfs/dbraw/zinc/04/58/56/804045856.db2.gz USBQWSXTOFDQKY-UHFFFAOYSA-N 2 2 263.345 0.313 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2csc3cnccc23)C1 ZINC001218635151 804049679 /nfs/dbraw/zinc/04/96/79/804049679.db2.gz JLZUOJZVYIXTII-APPZFPTMSA-N 2 2 262.338 0.924 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1noc2cnccc21 ZINC001218646378 804058369 /nfs/dbraw/zinc/05/83/69/804058369.db2.gz OZWRMBWYPOUYFU-VIFPVBQESA-N 2 2 272.268 0.454 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1nsc2ncccc12 ZINC001218651394 804061691 /nfs/dbraw/zinc/06/16/91/804061691.db2.gz IXZPBANAEKXECD-UHFFFAOYSA-N 2 2 291.380 0.971 20 0 CCADLP [NH3+]C1(C(=O)Nc2cc(Cl)[nH]c(=O)c2)CC[NH2+]CC1 ZINC001218695568 804083451 /nfs/dbraw/zinc/08/34/51/804083451.db2.gz ZMUCUUXTRHDUBY-UHFFFAOYSA-N 2 2 270.720 0.460 20 0 CCADLP Cc1cc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c2cc[nH]c2n1 ZINC001218703248 804089643 /nfs/dbraw/zinc/08/96/43/804089643.db2.gz XKOMQTMXVRJVNO-UWVGGRQHSA-N 2 2 259.313 0.308 20 0 CCADLP Cc1nc2c(NC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)cccn2c1C ZINC001218772962 804117701 /nfs/dbraw/zinc/11/77/01/804117701.db2.gz OCOHKVVEJSTLCH-PWSUYJOCSA-N 2 2 273.340 0.579 20 0 CCADLP CC(C)S(=O)(=O)c1ccccc1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218820845 804133471 /nfs/dbraw/zinc/13/34/71/804133471.db2.gz PPQOZKKIOVPQIX-JTQLQIEISA-N 2 2 299.396 0.483 20 0 CCADLP CCOc1ccc(C)cc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218854210 804139307 /nfs/dbraw/zinc/13/93/07/804139307.db2.gz ROCVJDGPRXPQAA-QWRGUYRKSA-N 2 2 263.341 0.879 20 0 CCADLP CN(C(=O)C[NH2+]C1CC[NH2+]CC1)c1ccccc1N ZINC001218882999 804145503 /nfs/dbraw/zinc/14/55/03/804145503.db2.gz HNQWTKDHIYUKNU-UHFFFAOYSA-N 2 2 262.357 0.573 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccc3ccncc3c2)C1 ZINC001218887934 804147225 /nfs/dbraw/zinc/14/72/25/804147225.db2.gz CNMMIEYDQNLNAI-YPMHNXCESA-N 2 2 256.309 0.863 20 0 CCADLP Cn1cc2cccc(NC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)c2n1 ZINC001218888844 804149499 /nfs/dbraw/zinc/14/94/99/804149499.db2.gz KMMYNWHBSQUWEL-NSHDSACASA-N 2 2 284.323 0.805 20 0 CCADLP COCCOc1cccc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c1 ZINC001218951370 804165257 /nfs/dbraw/zinc/16/52/57/804165257.db2.gz WBZVHYHISXGHEI-MFKMUULPSA-N 2 2 279.340 0.340 20 0 CCADLP COC(=O)c1c[nH]c2ccc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc12 ZINC001218985552 804174649 /nfs/dbraw/zinc/17/46/49/804174649.db2.gz ILYQCLNJAHRQPS-NSHDSACASA-N 2 2 290.323 0.569 20 0 CCADLP COC(Cc1ccc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc1)OC ZINC001219444418 804318477 /nfs/dbraw/zinc/31/84/77/804318477.db2.gz UDASOBJMKNMMRP-LBPRGKRZSA-N 2 2 281.356 0.463 20 0 CCADLP Cc1c(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)ccc2c1OCCO2 ZINC001219498251 804330947 /nfs/dbraw/zinc/33/09/47/804330947.db2.gz SKNNKDULQLFZIN-KOLCDFICSA-N 2 2 277.324 0.394 20 0 CCADLP CC(C)OCCNC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001219559737 804349786 /nfs/dbraw/zinc/34/97/86/804349786.db2.gz IALUGBHPAOPTGD-ZDUSSCGKSA-N 2 2 265.357 0.800 20 0 CCADLP Cc1ncc(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)s1 ZINC001219595707 804366150 /nfs/dbraw/zinc/36/61/50/804366150.db2.gz LMQWEJAOILVBDX-NSHDSACASA-N 2 2 279.369 0.371 20 0 CCADLP Cn1cccc1CNC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001219699215 804408195 /nfs/dbraw/zinc/40/81/95/804408195.db2.gz XJHAZBTZAHXGAX-CQSZACIVSA-N 2 2 272.352 0.914 20 0 CCADLP CC(C)(Cc1ccc(F)cc1)NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001219923479 804447933 /nfs/dbraw/zinc/44/79/33/804447933.db2.gz OLAZVQMDLZNBPE-STQMWFEESA-N 2 2 279.359 0.810 20 0 CCADLP Cc1c[nH]c(CCNC(=O)[C@@H]([NH3+])CC2CCC2)[nH+]1 ZINC001219952463 804456384 /nfs/dbraw/zinc/45/63/84/804456384.db2.gz UZXSEYYPPOHCEY-NSHDSACASA-N 2 2 250.346 0.894 20 0 CCADLP C[NH+]1CC(NC(=O)[C@@H]([NH3+])Cc2ccnc3ccccc23)C1 ZINC001220013363 804471002 /nfs/dbraw/zinc/47/10/02/804471002.db2.gz SKURWJUWEPAVDX-AWEZNQCLSA-N 2 2 284.363 0.535 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCc1cnc2[nH]ccc2c1 ZINC001220013483 804471018 /nfs/dbraw/zinc/47/10/18/804471018.db2.gz XNLCAMSSYYOETR-ZDUSSCGKSA-N 2 2 298.350 0.483 20 0 CCADLP [NH3+]C1(C(=O)NCc2cccc(-n3cccn3)c2)CC[NH2+]CC1 ZINC001220011392 804472205 /nfs/dbraw/zinc/47/22/05/804472205.db2.gz WEFUXVFHPDFDMH-UHFFFAOYSA-N 2 2 299.378 0.569 20 0 CCADLP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220062098 804490404 /nfs/dbraw/zinc/49/04/04/804490404.db2.gz MAFQKQYTZSMCHQ-ZQDZILKHSA-N 3 2 294.443 0.317 20 0 CCADLP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220062098 804490407 /nfs/dbraw/zinc/49/04/07/804490407.db2.gz MAFQKQYTZSMCHQ-ZQDZILKHSA-N 3 2 294.443 0.317 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CC2CCC2)C[C@@H]1O ZINC001220105812 804500460 /nfs/dbraw/zinc/50/04/60/804500460.db2.gz MXXPSPOBJJRQEA-KGLIPLIRSA-N 2 2 292.383 0.235 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](CC2CCC2)C[C@@H]1O ZINC001220105812 804500462 /nfs/dbraw/zinc/50/04/62/804500462.db2.gz MXXPSPOBJJRQEA-KGLIPLIRSA-N 2 2 292.383 0.235 20 0 CCADLP [NH3+]C1(C(=O)N[C@H]2CCCc3cccnc32)CC[NH2+]CC1 ZINC001220225623 804542461 /nfs/dbraw/zinc/54/24/61/804542461.db2.gz IZXFNCNYPWULSS-LBPRGKRZSA-N 2 2 274.368 0.656 20 0 CCADLP Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)nc1 ZINC001220266861 804554539 /nfs/dbraw/zinc/55/45/39/804554539.db2.gz WQJCTFSIDBAGOZ-AUZPSNTRSA-N 2 2 274.368 0.517 20 0 CCADLP Cc1ccc([C@@H](C)NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)nc1 ZINC001220266862 804554842 /nfs/dbraw/zinc/55/48/42/804554842.db2.gz WQJCTFSIDBAGOZ-UVLXDEKHSA-N 2 2 274.368 0.517 20 0 CCADLP O=C(NCc1cccc2n[nH]cc21)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220308059 804568536 /nfs/dbraw/zinc/56/85/36/804568536.db2.gz BHYFRGVBGURLHT-NHYWBVRUSA-N 2 2 285.351 0.131 20 0 CCADLP CCOC(=O)C1(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CCC1 ZINC001220370843 804583821 /nfs/dbraw/zinc/58/38/21/804583821.db2.gz GCMXDVCECUAAGY-NSHDSACASA-N 2 2 294.355 0.129 20 0 CCADLP CCCC[C@@](CC)(NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C(=O)OCC ZINC001220637872 804640934 /nfs/dbraw/zinc/64/09/34/804640934.db2.gz JSHCSDVOCKGPDR-TYNCELHUSA-N 2 2 299.415 0.694 20 0 CCADLP CC(C)C[C@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)c1ccccn1 ZINC001220719038 804657103 /nfs/dbraw/zinc/65/71/03/804657103.db2.gz POPVIZRIQWHJME-XBFCOCLRSA-N 2 2 276.384 0.974 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCc1cc(F)cc(F)c1 ZINC001220731093 804658314 /nfs/dbraw/zinc/65/83/14/804658314.db2.gz DBUORWKPDLUEKF-ZDUSSCGKSA-N 2 2 294.305 0.917 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@]23CC[C@@]([NH3+])(C2)CCC3)C1 ZINC001220777235 804664529 /nfs/dbraw/zinc/66/45/29/804664529.db2.gz JHYNMACDVLSAOF-YUTCNCBUSA-N 2 2 267.373 0.237 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@]23CC[C@@]([NH3+])(C2)CCC3)C1 ZINC001220777235 804664531 /nfs/dbraw/zinc/66/45/31/804664531.db2.gz JHYNMACDVLSAOF-YUTCNCBUSA-N 2 2 267.373 0.237 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCc1ccc(O)cc1F ZINC001220822184 804674881 /nfs/dbraw/zinc/67/48/81/804674881.db2.gz WLQKPAQAOSGQGQ-ZDUSSCGKSA-N 2 2 292.314 0.451 20 0 CCADLP O=C(NC1(C(F)(F)F)CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220838539 804676668 /nfs/dbraw/zinc/67/66/68/804676668.db2.gz TXNPFJWZJLKHFI-XVKPBYJWSA-N 2 2 263.263 0.149 20 0 CCADLP O=C(NC[C@@H]1CCCC(F)(F)C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221161957 804737979 /nfs/dbraw/zinc/73/79/79/804737979.db2.gz HOXQJMYWBIXATE-SUNKGSAMSA-N 2 2 287.354 0.880 20 0 CCADLP COc1ccccc1CC(C)(C)NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001221168578 804738524 /nfs/dbraw/zinc/73/85/24/804738524.db2.gz RVJQIVWGDSSGRT-OLZOCXBDSA-N 2 2 291.395 0.822 20 0 CCADLP CC(C)(CNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1)CC1CC1 ZINC001221168250 804739814 /nfs/dbraw/zinc/73/98/14/804739814.db2.gz FIKLOAYSYCTLBT-CQSZACIVSA-N 2 2 296.459 0.679 20 0 CCADLP CC(C)CN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])[C@H]1CC[C@H]([NH3+])CC1 ZINC001221187809 804742825 /nfs/dbraw/zinc/74/28/25/804742825.db2.gz GHZLFRHVFYALPR-XUXIUFHCSA-N 3 2 282.432 0.288 20 0 CCADLP [NH3+]C1(C(=O)NCc2cncc3ccccc32)CC[NH2+]CC1 ZINC001221332353 804780057 /nfs/dbraw/zinc/78/00/57/804780057.db2.gz JATIAJZWRASASV-UHFFFAOYSA-N 2 2 284.363 0.932 20 0 CCADLP C[C@H](NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)c1ccno1 ZINC001221397815 804803948 /nfs/dbraw/zinc/80/39/48/804803948.db2.gz UFSGLCCOAHPQHK-HAYRHPOISA-N 2 2 250.302 0.074 20 0 CCADLP [NH3+]Cc1cccc(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c1 ZINC001222511171 804909254 /nfs/dbraw/zinc/90/92/54/804909254.db2.gz ROWPXCDDMHFJAR-HOTGVXAUSA-N 3 2 274.412 0.671 20 0 CCADLP [NH3+]Cc1cccc(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c1 ZINC001222511171 804909258 /nfs/dbraw/zinc/90/92/58/804909258.db2.gz ROWPXCDDMHFJAR-HOTGVXAUSA-N 3 2 274.412 0.671 20 0 CCADLP C[N@@H+]1CCO[C@H](COCCC[NH+]2CCOCC2)C1 ZINC001224865831 805085525 /nfs/dbraw/zinc/08/55/25/805085525.db2.gz BYSACNDZBQWPGJ-ZDUSSCGKSA-N 2 2 258.362 0.056 20 0 CCADLP C[N@H+]1CCO[C@H](COCCC[NH+]2CCOCC2)C1 ZINC001224865831 805085537 /nfs/dbraw/zinc/08/55/37/805085537.db2.gz BYSACNDZBQWPGJ-ZDUSSCGKSA-N 2 2 258.362 0.056 20 0 CCADLP C[C@@H](CNC(=O)N[C@H]1CCn2cc[nH+]c2C1)[NH+](C)C ZINC001226733783 805274649 /nfs/dbraw/zinc/27/46/49/805274649.db2.gz BBOYSJVAKWFYGB-QWRGUYRKSA-N 2 2 265.361 0.447 20 0 CCADLP NC(=O)[C@H]1CC12C[NH+](CCC[NH+]1CCCCC1)C2 ZINC001277182215 805325178 /nfs/dbraw/zinc/32/51/78/805325178.db2.gz AKRKHSAEHZNKPE-GFCCVEGCSA-N 2 2 251.374 0.670 20 0 CCADLP CCOCCC[NH+]1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001229364109 805525462 /nfs/dbraw/zinc/52/54/62/805525462.db2.gz UXADGXCTUJDHNI-UHFFFAOYSA-N 2 2 294.399 0.959 20 0 CCADLP OC1C[NH+](Cc2ccc(-c3ncc4c(n3)C[NH2+]C4)cc2)C1 ZINC001243638111 807040740 /nfs/dbraw/zinc/04/07/40/807040740.db2.gz ZYDHDEOTCCQMHH-UHFFFAOYSA-N 2 2 282.347 0.923 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH2+]C[C@H]1CC[C@H](C)C[NH2+]1 ZINC001245987830 807108436 /nfs/dbraw/zinc/10/84/36/807108436.db2.gz CIGFEHQBHVXSNN-TUAOUCFPSA-N 2 2 258.362 0.278 20 0 CCADLP C[C@H]1CC[N@H+](C[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)C[C@H]1C[NH3+] ZINC001246022322 807121058 /nfs/dbraw/zinc/12/10/58/807121058.db2.gz QRGMUBHLJGWXOA-PQEBFOHHSA-N 3 2 291.439 0.834 20 0 CCADLP C[C@H]1CC[N@@H+](C[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)C[C@H]1C[NH3+] ZINC001246022322 807121061 /nfs/dbraw/zinc/12/10/61/807121061.db2.gz QRGMUBHLJGWXOA-PQEBFOHHSA-N 3 2 291.439 0.834 20 0 CCADLP C[C@@](O)(CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21)c1ccccc1 ZINC001246021831 807121102 /nfs/dbraw/zinc/12/11/02/807121102.db2.gz HRXAWAYEUVJECM-YESZJQIVSA-N 2 2 289.423 0.920 20 0 CCADLP O[C@@]1(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)CCC[NH2+]C1 ZINC001246023969 807122125 /nfs/dbraw/zinc/12/21/25/807122125.db2.gz NRTHSWBOCUDFCY-CABCVRRESA-N 3 2 267.417 0.567 20 0 CCADLP O[C@@]1(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)CCC[NH2+]C1 ZINC001246023969 807122132 /nfs/dbraw/zinc/12/21/32/807122132.db2.gz NRTHSWBOCUDFCY-CABCVRRESA-N 3 2 267.417 0.567 20 0 CCADLP O[C@H](C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC001246027203 807125265 /nfs/dbraw/zinc/12/52/65/807125265.db2.gz PMAUCUUNYOKSDM-HUUCEWRRSA-N 2 2 279.359 0.496 20 0 CCADLP O[C@H](C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC001246027203 807125269 /nfs/dbraw/zinc/12/52/69/807125269.db2.gz PMAUCUUNYOKSDM-HUUCEWRRSA-N 2 2 279.359 0.496 20 0 CCADLP COc1cccc(OC[C@H](O)C[NH+]2CC(C)(C[NH3+])C2)c1 ZINC001246035944 807129944 /nfs/dbraw/zinc/12/99/44/807129944.db2.gz QPQNUDWSVWIDMO-GFCCVEGCSA-N 2 2 280.368 0.716 20 0 CCADLP CCCOC[C@H](O)C[N@H+](CCCOC)[C@@H]1CCC[NH2+]C1 ZINC001246047817 807133761 /nfs/dbraw/zinc/13/37/61/807133761.db2.gz XJUBMDBCQPKDAI-HUUCEWRRSA-N 2 2 288.432 0.864 20 0 CCADLP CCCOC[C@H](O)C[N@@H+](CCCOC)[C@@H]1CCC[NH2+]C1 ZINC001246047817 807133764 /nfs/dbraw/zinc/13/37/64/807133764.db2.gz XJUBMDBCQPKDAI-HUUCEWRRSA-N 2 2 288.432 0.864 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCN(c3ncccn3)C2)C[NH2+]1 ZINC001246079930 807145260 /nfs/dbraw/zinc/14/52/60/807145260.db2.gz LLRYHGUTWQBKNU-AGIUHOORSA-N 2 2 261.373 0.785 20 0 CCADLP F[C@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001246088690 807150349 /nfs/dbraw/zinc/15/03/49/807150349.db2.gz WSYSPPAQCNEHIB-WUCCLRPBSA-N 3 2 285.407 0.919 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@H](NC2(C)C[NH2+]C2)C[NH2+]1 ZINC001246118714 807158569 /nfs/dbraw/zinc/15/85/69/807158569.db2.gz ARRPHJSUGRUUEG-UWVGGRQHSA-N 2 2 255.362 0.010 20 0 CCADLP C[C@H]1CC[C@@H]([NH2+]C2CCN(C3CC[NH2+]CC3)CC2)C[NH2+]1 ZINC001246136753 807162970 /nfs/dbraw/zinc/16/29/70/807162970.db2.gz DVTQLZAZMNRHCJ-DZGCQCFKSA-N 3 2 280.460 0.933 20 0 CCADLP C[N@@H+]1CCC[C@@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001246142602 807164891 /nfs/dbraw/zinc/16/48/91/807164891.db2.gz JKAVPCSKCJMZFZ-CABCVRRESA-N 3 2 280.460 0.935 20 0 CCADLP C[N@H+]1CCC[C@@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001246142602 807164895 /nfs/dbraw/zinc/16/48/95/807164895.db2.gz JKAVPCSKCJMZFZ-CABCVRRESA-N 3 2 280.460 0.935 20 0 CCADLP CC[C@@H]1C[C@@H]([NH2+]C[C@@]2(O)CCC[NH2+]C2)C[C@H](CC)[NH2+]1 ZINC001246225064 807191838 /nfs/dbraw/zinc/19/18/38/807191838.db2.gz APNAAPDMUKKXPB-LXTVHRRPSA-N 3 2 269.433 1.000 20 0 CCADLP O=C(NCC[NH2+][C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC001246242918 807196362 /nfs/dbraw/zinc/19/63/62/807196362.db2.gz JSCNPXFGSQHTIJ-CYBMUJFWSA-N 2 2 265.332 0.897 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CN1 ZINC001246249858 807198530 /nfs/dbraw/zinc/19/85/30/807198530.db2.gz RQLDYLLODAXPLM-YPMHNXCESA-N 2 2 267.373 0.106 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N2CC[C@H]([NH3+])c3ccccc32)C[NH2+]1 ZINC001246260010 807199381 /nfs/dbraw/zinc/19/93/81/807199381.db2.gz DCRHLVWUGUSVDK-WXHSDQCUSA-N 2 2 275.352 0.800 20 0 CCADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246257005 807200433 /nfs/dbraw/zinc/20/04/33/807200433.db2.gz RAUSELASHAYGCS-LSDHHAIUSA-N 3 2 280.460 0.790 20 0 CCADLP CCOC(=O)C1([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCC1 ZINC001246282481 807207552 /nfs/dbraw/zinc/20/75/52/807207552.db2.gz WVRREMCDZRGKGY-LLVKDONJSA-N 2 2 267.373 0.156 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]([NH3+])Cc2ccccc2)CN1 ZINC001246301095 807214628 /nfs/dbraw/zinc/21/46/28/807214628.db2.gz WKXGQYOSBSDWPK-ZNMIVQPWSA-N 2 2 291.395 0.440 20 0 CCADLP NC(=O)c1ccccc1OCC[NH2+][C@H]1CCC[NH2+]C1 ZINC001246324832 807222612 /nfs/dbraw/zinc/22/26/12/807222612.db2.gz HJCMXEYZABTKOK-NSHDSACASA-N 2 2 263.341 0.506 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@@H](N[C@@H]2CCC[NH2+][C@@H]2C)C[NH2+]1 ZINC001246329977 807223840 /nfs/dbraw/zinc/22/38/40/807223840.db2.gz TYCWZYTWTCXSPB-HKUMRIAESA-N 2 2 269.389 0.400 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)CN1 ZINC001246355855 807232113 /nfs/dbraw/zinc/23/21/13/807232113.db2.gz FGFFENZSBIVPRX-UTUOFQBUSA-N 2 2 255.362 0.012 20 0 CCADLP COC(=O)[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@@H](C(=O)OC)C1 ZINC001246401122 807243908 /nfs/dbraw/zinc/24/39/08/807243908.db2.gz KIQXGVFJQBHZHJ-WOPDTQHZSA-N 2 2 286.372 0.588 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)CCN1 ZINC001246464444 807257239 /nfs/dbraw/zinc/25/72/39/807257239.db2.gz QLACUOWNTWGDFS-YFKTTZPYSA-N 2 2 255.362 0.010 20 0 CCADLP COC(=O)[C@H]([NH3+])Cc1cn([C@H]2CC[NH2+][C@H](C)C2)cn1 ZINC001246521678 807271651 /nfs/dbraw/zinc/27/16/51/807271651.db2.gz IYLCHVBTXQVVCL-ADEWGFFLSA-N 2 2 266.345 0.239 20 0 CCADLP CCOC(=O)N1CC[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)C1 ZINC001246586157 807309330 /nfs/dbraw/zinc/30/93/30/807309330.db2.gz MQRLRAXZJKPGLH-SDDRHHMPSA-N 2 2 273.352 0.978 20 0 CCADLP CCOC(=O)N1CC[C@H]([N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)C1 ZINC001246586157 807309339 /nfs/dbraw/zinc/30/93/39/807309339.db2.gz MQRLRAXZJKPGLH-SDDRHHMPSA-N 2 2 273.352 0.978 20 0 CCADLP CCOC(=O)[C@H]1CC[C@H]([N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)CO1 ZINC001246638531 807341285 /nfs/dbraw/zinc/34/12/85/807341285.db2.gz MDNKWMFBVMOKSQ-UMSGYPCISA-N 2 2 268.357 0.533 20 0 CCADLP CCOC(=O)[C@H]1CC[C@H]([N@H+]2CC[C@H]3[NH2+]CC[C@H]32)CO1 ZINC001246638531 807341294 /nfs/dbraw/zinc/34/12/94/807341294.db2.gz MDNKWMFBVMOKSQ-UMSGYPCISA-N 2 2 268.357 0.533 20 0 CCADLP C1[C@@H]2C[NH2+]C[C@@]3(CC[N@@H+]([C@@H]4CCC[NH2+]C4)C[C@@H]13)O2 ZINC001246687153 807356204 /nfs/dbraw/zinc/35/62/04/807356204.db2.gz VLTUKFNMWOMYNL-AAVRWANBSA-N 3 2 251.374 0.191 20 0 CCADLP C1[C@@H]2C[NH2+]C[C@@]3(CC[N@H+]([C@@H]4CCC[NH2+]C4)C[C@@H]13)O2 ZINC001246687153 807356212 /nfs/dbraw/zinc/35/62/12/807356212.db2.gz VLTUKFNMWOMYNL-AAVRWANBSA-N 3 2 251.374 0.191 20 0 CCADLP CNC(=O)[C@@H]1CCO[C@@H]2CC[N@@H+]([C@@H]3CC[C@@H](C)[NH2+]C3)C[C@H]21 ZINC001246704949 807360336 /nfs/dbraw/zinc/36/03/36/807360336.db2.gz NJIBZRDEQXEYKW-ARILJUKYSA-N 2 2 295.427 0.600 20 0 CCADLP CNC(=O)[C@@H]1CCO[C@@H]2CC[N@H+]([C@@H]3CC[C@@H](C)[NH2+]C3)C[C@H]21 ZINC001246704949 807360345 /nfs/dbraw/zinc/36/03/45/807360345.db2.gz NJIBZRDEQXEYKW-ARILJUKYSA-N 2 2 295.427 0.600 20 0 CCADLP CNC(=O)[C@@H]1CCO[C@@H]2CC[N@@H+]([C@H]3CC[C@@H](C)[NH2+]C3)C[C@H]21 ZINC001246704950 807360667 /nfs/dbraw/zinc/36/06/67/807360667.db2.gz NJIBZRDEQXEYKW-QKGCVVFFSA-N 2 2 295.427 0.600 20 0 CCADLP CNC(=O)[C@@H]1CCO[C@@H]2CC[N@H+]([C@H]3CC[C@@H](C)[NH2+]C3)C[C@H]21 ZINC001246704950 807360674 /nfs/dbraw/zinc/36/06/74/807360674.db2.gz NJIBZRDEQXEYKW-QKGCVVFFSA-N 2 2 295.427 0.600 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N2CC[C@H]([NH+]3CCCC3)C2)C[NH2+]1 ZINC001246801145 807386763 /nfs/dbraw/zinc/38/67/63/807386763.db2.gz RPIFNURLTVAQDB-XQQFMLRXSA-N 2 2 267.373 0.060 20 0 CCADLP C[C@@H]1C[C@H]([N@H+](C)CCN2CC[NH+](C)CC2)CC[NH2+]1 ZINC001246848995 807404538 /nfs/dbraw/zinc/40/45/38/807404538.db2.gz PGIVILWKMQVLSM-ZIAGYGMSSA-N 3 2 254.422 0.306 20 0 CCADLP C[C@@H]1C[C@H]([N@@H+](C)CCN2CC[NH+](C)CC2)CC[NH2+]1 ZINC001246848995 807404565 /nfs/dbraw/zinc/40/45/65/807404565.db2.gz PGIVILWKMQVLSM-ZIAGYGMSSA-N 3 2 254.422 0.306 20 0 CCADLP C1[C@H]2C[NH2+]C[C@@H]2[N@@H+]1C1CCC2(CC1)C[NH2+]CCO2 ZINC001246923268 807429218 /nfs/dbraw/zinc/42/92/18/807429218.db2.gz XLHCRLHMZSWMIO-ZIHBUVQPSA-N 3 2 251.374 0.191 20 0 CCADLP C1[C@H]2C[NH2+]C[C@@H]2[N@H+]1C1CCC2(CC1)C[NH2+]CCO2 ZINC001246923268 807429223 /nfs/dbraw/zinc/42/92/23/807429223.db2.gz XLHCRLHMZSWMIO-ZIHBUVQPSA-N 3 2 251.374 0.191 20 0 CCADLP COC(=O)[C@H]([NH3+])[C@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246926502 807430481 /nfs/dbraw/zinc/43/04/81/807430481.db2.gz UAMXCINMPSWMOR-BEUHCMRWSA-N 2 2 281.400 0.482 20 0 CCADLP CC(C)[N@H+](C1CC[NH+](C)CC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246975948 807444434 /nfs/dbraw/zinc/44/44/34/807444434.db2.gz UONSKZZNLLPTSN-HNNXBMFYSA-N 3 2 280.460 0.885 20 0 CCADLP CC(C)[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246975948 807444438 /nfs/dbraw/zinc/44/44/38/807444438.db2.gz UONSKZZNLLPTSN-HNNXBMFYSA-N 3 2 280.460 0.885 20 0 CCADLP C1[NH2+]CC12C[C@@H]([N@@H+]1CC[C@H]3[NH2+]CCC[C@@H]3C1)CS2 ZINC001247016483 807454823 /nfs/dbraw/zinc/45/48/23/807454823.db2.gz WCTGJLVIOBCERX-JHJVBQTASA-N 3 2 267.442 0.908 20 0 CCADLP C1[NH2+]CC12C[C@@H]([N@H+]1CC[C@H]3[NH2+]CCC[C@@H]3C1)CS2 ZINC001247016483 807454824 /nfs/dbraw/zinc/45/48/24/807454824.db2.gz WCTGJLVIOBCERX-JHJVBQTASA-N 3 2 267.442 0.908 20 0 CCADLP COc1ccc(-c2noc(C[C@@H]([NH3+])C[NH3+])n2)c(C)c1 ZINC001249129288 807545250 /nfs/dbraw/zinc/54/52/50/807545250.db2.gz KPXKIRINMNZJDT-SECBINFHSA-N 2 2 262.313 0.882 20 0 CCADLP C[NH+]1CC(C[NH2+]C[C@H](O)COc2ccc(F)cc2F)C1 ZINC001250879697 807621225 /nfs/dbraw/zinc/62/12/25/807621225.db2.gz KDRQBYJREKLISW-LBPRGKRZSA-N 2 2 286.322 0.856 20 0 CCADLP O[C@@H](CNc1c[nH+]c2ccccn12)C[NH+]1CCOCC1 ZINC001251007906 807640055 /nfs/dbraw/zinc/64/00/55/807640055.db2.gz WSTMHGMKIKIIRV-LBPRGKRZSA-N 2 2 276.340 0.439 20 0 CCADLP C[C@H](O)CNc1[nH+]cccc1N1CC[NH+](C)CC1 ZINC001251956708 807749085 /nfs/dbraw/zinc/74/90/85/807749085.db2.gz NQPKQSFSZCIXEP-NSHDSACASA-N 2 2 250.346 0.626 20 0 CCADLP C[C@@H](CC[NH2+][C@H]1CCCS(=O)(=O)CC1)[NH+](C)C ZINC000697848418 815144902 /nfs/dbraw/zinc/14/49/02/815144902.db2.gz MSDBALYTEKUDAX-RYUDHWBXSA-N 2 2 262.419 0.884 20 0 CCADLP C[N@@H+]1CCC[C@H]2C[NH+](CC3(O)CCOCC3)C[C@@H]21 ZINC001252966144 807994145 /nfs/dbraw/zinc/99/41/45/807994145.db2.gz UDBFYYHPYDLUDO-STQMWFEESA-N 2 2 254.374 0.554 20 0 CCADLP C[N@H+]1CCC[C@H]2C[NH+](CC3(O)CCOCC3)C[C@@H]21 ZINC001252966144 807994152 /nfs/dbraw/zinc/99/41/52/807994152.db2.gz UDBFYYHPYDLUDO-STQMWFEESA-N 2 2 254.374 0.554 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@H+](CC3(O)CCOCC3)C[C@@H]21 ZINC001252966144 807994158 /nfs/dbraw/zinc/99/41/58/807994158.db2.gz UDBFYYHPYDLUDO-STQMWFEESA-N 2 2 254.374 0.554 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@@H+](CC3(O)CCOCC3)C[C@@H]21 ZINC001252966144 807994162 /nfs/dbraw/zinc/99/41/62/807994162.db2.gz UDBFYYHPYDLUDO-STQMWFEESA-N 2 2 254.374 0.554 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC001253192376 808026264 /nfs/dbraw/zinc/02/62/64/808026264.db2.gz PMEZVAKLOGALHO-ZIAGYGMSSA-N 2 2 281.404 0.618 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC001253192376 808026268 /nfs/dbraw/zinc/02/62/68/808026268.db2.gz PMEZVAKLOGALHO-ZIAGYGMSSA-N 2 2 281.404 0.618 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+]C1(C(N)=O)CCCCCC1 ZINC001253204703 808030121 /nfs/dbraw/zinc/03/01/21/808030121.db2.gz UMTPFESNSCCFCW-ZDUSSCGKSA-N 2 2 285.432 0.857 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C[C@@H](O)c1ccco1 ZINC001253385006 808052139 /nfs/dbraw/zinc/05/21/39/808052139.db2.gz OQJIDNKTCUBJCM-WDEREUQCSA-N 2 2 256.346 0.652 20 0 CCADLP CC(C)C[C@@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)C(N)=O ZINC001253406529 808060274 /nfs/dbraw/zinc/06/02/74/808060274.db2.gz OWZSPQHIULWBOU-WDEREUQCSA-N 2 2 259.394 0.225 20 0 CCADLP Cc1cc(C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)n(C)n1 ZINC001253405305 808060375 /nfs/dbraw/zinc/06/03/75/808060375.db2.gz VTTUBIQQOGRHOA-LBPRGKRZSA-N 2 2 254.378 0.567 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C1CN(c2ncccn2)C1 ZINC001253407775 808061401 /nfs/dbraw/zinc/06/14/01/808061401.db2.gz PTRGWGDNKOZTAP-LBPRGKRZSA-N 2 2 279.388 0.004 20 0 CCADLP C[NH+](C)Cc1cn(C[C@H]2C[C@@]3(CCC[NH2+]3)CO2)nn1 ZINC001254067781 808176047 /nfs/dbraw/zinc/17/60/47/808176047.db2.gz VHEMNYTVXKYTHF-OLZOCXBDSA-N 2 2 265.361 0.251 20 0 CCADLP [NH3+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CCCOC1 ZINC001254370946 808224609 /nfs/dbraw/zinc/22/46/09/808224609.db2.gz ZGFAWWOBEJIGRC-PMPSAXMXSA-N 2 2 275.396 0.967 20 0 CCADLP CC[NH+](CC)CCOCCNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001254698181 808274859 /nfs/dbraw/zinc/27/48/59/808274859.db2.gz XCEFZBUDFUKAEE-CYBMUJFWSA-N 2 2 282.388 0.919 20 0 CCADLP C[C@H](F)CC[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001278811196 808278789 /nfs/dbraw/zinc/27/87/89/808278789.db2.gz RCLRXTWRQDRHBZ-JQWIXIFHSA-N 2 2 286.351 0.109 20 0 CCADLP O=C1NCCN1CC[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254832923 808282435 /nfs/dbraw/zinc/28/24/35/808282435.db2.gz SLRVCOIUNTWFKV-GFCCVEGCSA-N 2 2 252.362 0.086 20 0 CCADLP O=c1[nH][nH]cc1CCC[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254837851 808284381 /nfs/dbraw/zinc/28/43/81/808284381.db2.gz WKDGOZTWJWCWOS-STQMWFEESA-N 2 2 264.373 0.572 20 0 CCADLP OC1CCN(CC[NH2+][C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254840183 808284947 /nfs/dbraw/zinc/28/49/47/808284947.db2.gz DEEONHMKYQVOPC-CQSZACIVSA-N 2 2 267.417 0.517 20 0 CCADLP OCC[NH+]1CCC(C[NH2+][C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254840702 808285069 /nfs/dbraw/zinc/28/50/69/808285069.db2.gz MDQALXFXGLXTJR-INIZCTEOSA-N 3 2 281.444 0.765 20 0 CCADLP CC(=O)NC[C@@H](C)C[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254842574 808285111 /nfs/dbraw/zinc/28/51/11/808285111.db2.gz FIPOHWMYDNGAEQ-RISCZKNCSA-N 2 2 253.390 0.833 20 0 CCADLP COC[C@@H](C)[N@@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001255574569 808408042 /nfs/dbraw/zinc/40/80/42/808408042.db2.gz SZBBLGVXYDBXGQ-GFCCVEGCSA-N 2 2 294.399 0.546 20 0 CCADLP COC[C@@H](C)[N@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001255574569 808408050 /nfs/dbraw/zinc/40/80/50/808408050.db2.gz SZBBLGVXYDBXGQ-GFCCVEGCSA-N 2 2 294.399 0.546 20 0 CCADLP COC(=O)CC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C(N)=O ZINC001168365235 815204398 /nfs/dbraw/zinc/20/43/98/815204398.db2.gz NWOKGWNPUDGRAH-ZDUSSCGKSA-N 2 2 297.399 0.258 20 0 CCADLP CN1CCC2(C[NH+](C3CC[NH+](C4CC4)CC3)C2)C1=O ZINC001256082932 808468902 /nfs/dbraw/zinc/46/89/02/808468902.db2.gz OJOOZLJDPBRPKG-UHFFFAOYSA-N 2 2 263.385 0.777 20 0 CCADLP C[NH+]1CCC([NH2+][C@H]2COCCC23OCCO3)CC1 ZINC001256196698 808476257 /nfs/dbraw/zinc/47/62/57/808476257.db2.gz VTPDDRCWVJSUKR-LBPRGKRZSA-N 2 2 256.346 0.202 20 0 CCADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)NC1CC[NH+](C)CC1 ZINC001256201602 808477040 /nfs/dbraw/zinc/47/70/40/808477040.db2.gz NMIUUSURGMPRHE-AWEZNQCLSA-N 2 2 294.399 0.578 20 0 CCADLP COCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001279031705 808627484 /nfs/dbraw/zinc/62/74/84/808627484.db2.gz RNKMUSPWPAIWLA-NWDGAFQWSA-N 2 2 280.372 0.425 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]([NH3+])C2)C[C@H]1C(=O)OC ZINC001257722633 808630927 /nfs/dbraw/zinc/63/09/27/808630927.db2.gz OLUOVDUOEOUUFN-YVECIDJPSA-N 2 2 298.383 0.540 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]([NH3+])C2)C[C@H]1C(=O)OC ZINC001257722633 808630930 /nfs/dbraw/zinc/63/09/30/808630930.db2.gz OLUOVDUOEOUUFN-YVECIDJPSA-N 2 2 298.383 0.540 20 0 CCADLP COC(=O)C1CCC([N@@H+]2CCO[C@@H](C[NH3+])C2)CC1 ZINC001257854649 808638645 /nfs/dbraw/zinc/63/86/45/808638645.db2.gz FQBNKDZLJCQOCA-MCIGGMRASA-N 2 2 256.346 0.378 20 0 CCADLP COC(=O)C1CCC([N@H+]2CCO[C@@H](C[NH3+])C2)CC1 ZINC001257854649 808638652 /nfs/dbraw/zinc/63/86/52/808638652.db2.gz FQBNKDZLJCQOCA-MCIGGMRASA-N 2 2 256.346 0.378 20 0 CCADLP COC(=O)CC[C@H](C)[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001258378989 808680203 /nfs/dbraw/zinc/68/02/03/808680203.db2.gz GJKDIZVUHLXWON-LBPRGKRZSA-N 2 2 269.389 0.260 20 0 CCADLP CCC[NH+]1CCC([NH2+]CCC[N@H+](C)CCO)CC1 ZINC001258770134 808701446 /nfs/dbraw/zinc/70/14/46/808701446.db2.gz DQXBVIUXCGCTRB-UHFFFAOYSA-N 3 2 257.422 0.765 20 0 CCADLP CCC[NH+]1CCC([NH2+]CCC[N@@H+](C)CCO)CC1 ZINC001258770134 808701450 /nfs/dbraw/zinc/70/14/50/808701450.db2.gz DQXBVIUXCGCTRB-UHFFFAOYSA-N 3 2 257.422 0.765 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@@](C)(O)c1ccco1)C1CC1 ZINC001262568172 809347046 /nfs/dbraw/zinc/34/70/46/809347046.db2.gz NHPPQXQBJLECMB-GXTWGEPZSA-N 2 2 268.357 0.532 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@](C)(O)c1ccco1)C1CC1 ZINC001262568172 809347053 /nfs/dbraw/zinc/34/70/53/809347053.db2.gz NHPPQXQBJLECMB-GXTWGEPZSA-N 2 2 268.357 0.532 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)CC1([NH3+])CC1 ZINC001263199101 809478629 /nfs/dbraw/zinc/47/86/29/809478629.db2.gz WFTHQJZLQKNSST-NSHDSACASA-N 2 2 255.362 0.095 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)C[NH2+]C ZINC001263199113 809479202 /nfs/dbraw/zinc/47/92/02/809479202.db2.gz WQETYTCWGRGSGI-VXGBXAGGSA-N 2 2 257.378 0.069 20 0 CCADLP COc1ccc(OC[C@H](O)C[NH2+]CC2C[NH+](C)C2)cc1 ZINC000379445180 809513246 /nfs/dbraw/zinc/51/32/46/809513246.db2.gz UEQYRAUYTGIJTP-CYBMUJFWSA-N 2 2 280.368 0.586 20 0 CCADLP [NH3+][C@H](CC1CC1)C(=O)NCCCCn1cc[nH+]c1 ZINC000380956773 809531200 /nfs/dbraw/zinc/53/12/00/809531200.db2.gz ABQITQGCPNMPKZ-GFCCVEGCSA-N 2 2 250.346 0.907 20 0 CCADLP C[NH+]1CCN(C2C[NH+](Cc3cccc(N)c3)C2)CC1 ZINC000700441971 809753905 /nfs/dbraw/zinc/75/39/05/809753905.db2.gz COHOVRQAIFWHHE-UHFFFAOYSA-N 2 2 260.385 0.700 20 0 CCADLP C[N@H+](CCF)CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001265877849 809882335 /nfs/dbraw/zinc/88/23/35/809882335.db2.gz OZGNRPDJKYZRPH-LBPRGKRZSA-N 2 2 282.363 0.853 20 0 CCADLP C[N@@H+](CCF)CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001265877849 809882342 /nfs/dbraw/zinc/88/23/42/809882342.db2.gz OZGNRPDJKYZRPH-LBPRGKRZSA-N 2 2 282.363 0.853 20 0 CCADLP C[C@H](CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]CCO ZINC001266178883 809955485 /nfs/dbraw/zinc/95/54/85/809955485.db2.gz OJXRIOJWSBCORB-WDEREUQCSA-N 2 2 268.361 0.065 20 0 CCADLP C[C@H](CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]CCO ZINC001266178883 809955490 /nfs/dbraw/zinc/95/54/90/809955490.db2.gz OJXRIOJWSBCORB-WDEREUQCSA-N 2 2 268.361 0.065 20 0 CCADLP C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C[NH2+]CCCO ZINC001279139059 809971535 /nfs/dbraw/zinc/97/15/35/809971535.db2.gz UVKNQGYZKAJSDH-KBPBESRZSA-N 2 2 294.399 0.340 20 0 CCADLP C[NH+](C)CCC[N@H+](C)C[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1O ZINC001204611619 811139628 /nfs/dbraw/zinc/13/96/28/811139628.db2.gz XKDHYFROABGNGY-RNJOBUHISA-N 2 2 288.388 0.107 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)C[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1O ZINC001204611619 811139638 /nfs/dbraw/zinc/13/96/38/811139638.db2.gz XKDHYFROABGNGY-RNJOBUHISA-N 2 2 288.388 0.107 20 0 CCADLP CN(CC[NH2+]C[C@@H]1C[C@@]12CCOC2)C(=O)Cc1c[nH+]c[nH]1 ZINC001267434698 811304304 /nfs/dbraw/zinc/30/43/04/811304304.db2.gz NKWZNMRNNVUVBO-SWLSCSKDSA-N 2 2 292.383 0.427 20 0 CCADLP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]Cc1csnn1 ZINC001267452010 811313929 /nfs/dbraw/zinc/31/39/29/811313929.db2.gz ZOHRCVXTUTYLQY-UHFFFAOYSA-N 2 2 285.417 0.428 20 0 CCADLP CC[N@@H+](C)CCC(=O)N(C)CC[NH2+]Cc1csnn1 ZINC001267452010 811313939 /nfs/dbraw/zinc/31/39/39/811313939.db2.gz ZOHRCVXTUTYLQY-UHFFFAOYSA-N 2 2 285.417 0.428 20 0 CCADLP CCOC(=O)c1cc[nH]c1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218540278 811580510 /nfs/dbraw/zinc/58/05/10/811580510.db2.gz FTDWBSHSBABEPZ-UHFFFAOYSA-N 2 2 280.328 0.211 20 0 CCADLP COC[C@H](C)[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149135449 811655208 /nfs/dbraw/zinc/65/52/08/811655208.db2.gz ZUHSUVOAYIZDLR-VIFPVBQESA-N 2 2 254.334 0.001 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]CCn1cccn1 ZINC001268016768 811956004 /nfs/dbraw/zinc/95/60/04/811956004.db2.gz GGJHDQIYNRKSBB-CYBMUJFWSA-N 2 2 290.371 0.122 20 0 CCADLP CC(C)[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@@H](O)C1 ZINC001083582844 815502074 /nfs/dbraw/zinc/50/20/74/815502074.db2.gz IBOIVXKBZSNDEK-UPJWGTAASA-N 2 2 292.383 0.015 20 0 CCADLP CC(C)[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@@H](O)C1 ZINC001083582844 815502078 /nfs/dbraw/zinc/50/20/78/815502078.db2.gz IBOIVXKBZSNDEK-UPJWGTAASA-N 2 2 292.383 0.015 20 0 CCADLP O=C(NC[C@@H]1CCC[N@H+]1CCO)[C@H]1CCc2c[nH+]cn2C1 ZINC001027982187 812191076 /nfs/dbraw/zinc/19/10/76/812191076.db2.gz RPPMNGUKZMKKJP-STQMWFEESA-N 2 2 292.383 0.018 20 0 CCADLP O=C(NC[C@@H]1CCC[N@@H+]1CCO)[C@H]1CCc2c[nH+]cn2C1 ZINC001027982187 812191081 /nfs/dbraw/zinc/19/10/81/812191081.db2.gz RPPMNGUKZMKKJP-STQMWFEESA-N 2 2 292.383 0.018 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365633793 812319317 /nfs/dbraw/zinc/31/93/17/812319317.db2.gz WQKFRVZTPZJPQV-ZJUUUORDSA-N 2 2 279.344 0.183 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365633793 812319324 /nfs/dbraw/zinc/31/93/24/812319324.db2.gz WQKFRVZTPZJPQV-ZJUUUORDSA-N 2 2 279.344 0.183 20 0 CCADLP O=C(NC/C=C/C[NH2+]CCO)c1cccc2[nH+]ccn21 ZINC001268567812 812809862 /nfs/dbraw/zinc/80/98/62/812809862.db2.gz SQEAUBPKEGTIAP-OWOJBTEDSA-N 2 2 274.324 0.202 20 0 CCADLP Cc1nc(N(C)CCN(C)C(=O)[C@H]2CCC[N@@H+]2C)cc[nH+]1 ZINC001105371078 812865590 /nfs/dbraw/zinc/86/55/90/812865590.db2.gz QPRFKUQWXCTTMI-CYBMUJFWSA-N 2 2 291.399 0.774 20 0 CCADLP Cc1nc(N(C)CCN(C)C(=O)[C@H]2CCC[N@H+]2C)cc[nH+]1 ZINC001105371078 812865606 /nfs/dbraw/zinc/86/56/06/812865606.db2.gz QPRFKUQWXCTTMI-CYBMUJFWSA-N 2 2 291.399 0.774 20 0 CCADLP COCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001028605705 812964597 /nfs/dbraw/zinc/96/45/97/812964597.db2.gz DFGRGYWKFXUWAD-YNEHKIRRSA-N 2 2 292.383 0.598 20 0 CCADLP COCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001028605705 812964603 /nfs/dbraw/zinc/96/46/03/812964603.db2.gz DFGRGYWKFXUWAD-YNEHKIRRSA-N 2 2 292.383 0.598 20 0 CCADLP COCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001028605705 812964614 /nfs/dbraw/zinc/96/46/14/812964614.db2.gz DFGRGYWKFXUWAD-YNEHKIRRSA-N 2 2 292.383 0.598 20 0 CCADLP COCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001028605705 812964618 /nfs/dbraw/zinc/96/46/18/812964618.db2.gz DFGRGYWKFXUWAD-YNEHKIRRSA-N 2 2 292.383 0.598 20 0 CCADLP C[C@@H](F)CC[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001268675601 812997670 /nfs/dbraw/zinc/99/76/70/812997670.db2.gz CBVZPNSTUKBYOX-GHMZBOCLSA-N 2 2 256.325 0.726 20 0 CCADLP COCC[N@H+](C)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001268751295 813061877 /nfs/dbraw/zinc/06/18/77/813061877.db2.gz LCSJGIGLAWEDQV-JTQLQIEISA-N 2 2 254.334 0.035 20 0 CCADLP COCC[N@@H+](C)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001268751295 813061883 /nfs/dbraw/zinc/06/18/83/813061883.db2.gz LCSJGIGLAWEDQV-JTQLQIEISA-N 2 2 254.334 0.035 20 0 CCADLP CCOCCC[NH+]1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001268883638 813131402 /nfs/dbraw/zinc/13/14/02/813131402.db2.gz RVPIVWPSEAEHCW-UHFFFAOYSA-N 2 2 280.372 0.427 20 0 CCADLP CCC[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001269149012 813239678 /nfs/dbraw/zinc/23/96/78/813239678.db2.gz NJRUQHCLCKGNQO-LBPRGKRZSA-N 2 2 250.346 0.778 20 0 CCADLP Cc1ncc(C[NH2+]CCNC(=O)CCc2[nH]cc[nH+]2)cn1 ZINC001126436542 813582975 /nfs/dbraw/zinc/58/29/75/813582975.db2.gz FUHHMLGGHGWMNW-UHFFFAOYSA-N 2 2 288.355 0.347 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]C[C@H]1CCOC1 ZINC001126447449 813630490 /nfs/dbraw/zinc/63/04/90/813630490.db2.gz GAYSUYKBGKRFGU-LLVKDONJSA-N 2 2 266.345 0.085 20 0 CCADLP COCCC[NH2+]CC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001280307209 813987012 /nfs/dbraw/zinc/98/70/12/813987012.db2.gz KCJKRTNROJPVAS-CQSZACIVSA-N 2 2 294.399 0.748 20 0 CCADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC000909436961 814024934 /nfs/dbraw/zinc/02/49/34/814024934.db2.gz WTIBMFAAZQFESH-RBSFLKMASA-N 2 2 295.427 0.528 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC000909436961 814024941 /nfs/dbraw/zinc/02/49/41/814024941.db2.gz WTIBMFAAZQFESH-RBSFLKMASA-N 2 2 295.427 0.528 20 0 CCADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000909436961 814024947 /nfs/dbraw/zinc/02/49/47/814024947.db2.gz WTIBMFAAZQFESH-RBSFLKMASA-N 2 2 295.427 0.528 20 0 CCADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000909436961 814024954 /nfs/dbraw/zinc/02/49/54/814024954.db2.gz WTIBMFAAZQFESH-RBSFLKMASA-N 2 2 295.427 0.528 20 0 CCADLP Cc1nc(N(C)CCN(C)C(=O)C[NH+]2CCCC2)cc[nH+]1 ZINC001105404463 814300889 /nfs/dbraw/zinc/30/08/89/814300889.db2.gz ZQCLFOPXASWQTK-UHFFFAOYSA-N 2 2 291.399 0.775 20 0 CCADLP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CCC[C@]2(C1)C[NH+](C)CCO2 ZINC001271927817 814633361 /nfs/dbraw/zinc/63/33/61/814633361.db2.gz RYNRPIGIYVNJHK-GOEBONIOSA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)[N@H+]1CC[C@H]1C(=O)N1CCC[C@]2(C1)C[NH+](C)CCO2 ZINC001271927817 814633363 /nfs/dbraw/zinc/63/33/63/814633363.db2.gz RYNRPIGIYVNJHK-GOEBONIOSA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)[NH+]1CC[C@H]1C(=O)N1CCC[C@]2(C1)C[N@H+](C)CCO2 ZINC001271927817 814633366 /nfs/dbraw/zinc/63/33/66/814633366.db2.gz RYNRPIGIYVNJHK-GOEBONIOSA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)[NH+]1CC[C@H]1C(=O)N1CCC[C@]2(C1)C[N@@H+](C)CCO2 ZINC001271927817 814633369 /nfs/dbraw/zinc/63/33/69/814633369.db2.gz RYNRPIGIYVNJHK-GOEBONIOSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@H](F)CC[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001030162114 815853385 /nfs/dbraw/zinc/85/33/85/815853385.db2.gz RYVUZEDJRLOSOE-JQWIXIFHSA-N 2 2 257.353 0.629 20 0 CCADLP C[C@H](F)CC[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001030162114 815853391 /nfs/dbraw/zinc/85/33/91/815853391.db2.gz RYVUZEDJRLOSOE-JQWIXIFHSA-N 2 2 257.353 0.629 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001030301073 815965474 /nfs/dbraw/zinc/96/54/74/815965474.db2.gz CEYHKRDNXRVOKH-JSGCOSHPSA-N 2 2 283.416 0.695 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001030301073 815965480 /nfs/dbraw/zinc/96/54/80/815965480.db2.gz CEYHKRDNXRVOKH-JSGCOSHPSA-N 2 2 283.416 0.695 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001030302250 815967650 /nfs/dbraw/zinc/96/76/50/815967650.db2.gz ZCMBISQZYYQKEE-WCQYABFASA-N 2 2 269.389 0.040 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001030302250 815967653 /nfs/dbraw/zinc/96/76/53/815967653.db2.gz ZCMBISQZYYQKEE-WCQYABFASA-N 2 2 269.389 0.040 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NC2C[NH+]([C@H](C)COC)C2)CC[N@@H+]1C ZINC001030340729 815984090 /nfs/dbraw/zinc/98/40/90/815984090.db2.gz BRRZGAYAKDOLHL-KWCYVHTRSA-N 2 2 283.416 0.552 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NC2C[NH+]([C@H](C)COC)C2)CC[N@H+]1C ZINC001030340729 815984096 /nfs/dbraw/zinc/98/40/96/815984096.db2.gz BRRZGAYAKDOLHL-KWCYVHTRSA-N 2 2 283.416 0.552 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030401622 816015599 /nfs/dbraw/zinc/01/55/99/816015599.db2.gz VYOULQNZLZONNT-CYBMUJFWSA-N 2 2 269.389 0.044 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030401622 816015607 /nfs/dbraw/zinc/01/56/07/816015607.db2.gz VYOULQNZLZONNT-CYBMUJFWSA-N 2 2 269.389 0.044 20 0 CCADLP C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001120455018 816075966 /nfs/dbraw/zinc/07/59/66/816075966.db2.gz ZPBNPKIDVZISRH-VXGBXAGGSA-N 2 2 262.357 0.513 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001030532089 816090032 /nfs/dbraw/zinc/09/00/32/816090032.db2.gz FFZMIMXFZYPDMJ-DGCLKSJQSA-N 2 2 269.389 0.306 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001030532089 816090038 /nfs/dbraw/zinc/09/00/38/816090038.db2.gz FFZMIMXFZYPDMJ-DGCLKSJQSA-N 2 2 269.389 0.306 20 0 CCADLP Cn1c[nH+]cc1CN1CC(NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001030535160 816092574 /nfs/dbraw/zinc/09/25/74/816092574.db2.gz LOCGABXQZWQAGA-CQSZACIVSA-N 2 2 291.399 0.205 20 0 CCADLP Cn1c[nH+]cc1CN1CC(NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001030535160 816092581 /nfs/dbraw/zinc/09/25/81/816092581.db2.gz LOCGABXQZWQAGA-CQSZACIVSA-N 2 2 291.399 0.205 20 0 CCADLP O=C(NC1C[NH+](CC2CC2)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001030553853 816105193 /nfs/dbraw/zinc/10/51/93/816105193.db2.gz CMCDXDJBEARGAT-GFCCVEGCSA-N 2 2 274.368 0.656 20 0 CCADLP Cc1cc(-n2ccnc2C(N)=[NH2+])c[nH+]c1N1CCOCC1 ZINC001168415128 816131596 /nfs/dbraw/zinc/13/15/96/816131596.db2.gz ASKAHOKVKYCBLD-UHFFFAOYSA-N 2 2 286.339 0.696 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001030595045 816132497 /nfs/dbraw/zinc/13/24/97/816132497.db2.gz YHRVXEONKGOGMA-ZFWWWQNUSA-N 2 2 297.443 0.942 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001030595045 816132502 /nfs/dbraw/zinc/13/25/02/816132502.db2.gz YHRVXEONKGOGMA-ZFWWWQNUSA-N 2 2 297.443 0.942 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC1C[NH+](C[C@H]2CC[C@H](C)O2)C1 ZINC001030684074 816215875 /nfs/dbraw/zinc/21/58/75/816215875.db2.gz KQVOEDUSMFEYIL-GXTWGEPZSA-N 2 2 292.383 0.559 20 0 CCADLP CCC[N@@H+]1CCC[C@H](C(=O)NC2C[NH+](CCCO)C2)C1 ZINC001030823480 816319886 /nfs/dbraw/zinc/31/98/86/816319886.db2.gz BGKWOSCBIGUMGP-ZDUSSCGKSA-N 2 2 283.416 0.291 20 0 CCADLP CCC[N@H+]1CCC[C@H](C(=O)NC2C[NH+](CCCO)C2)C1 ZINC001030823480 816319892 /nfs/dbraw/zinc/31/98/92/816319892.db2.gz BGKWOSCBIGUMGP-ZDUSSCGKSA-N 2 2 283.416 0.291 20 0 CCADLP CC[C@@H](C)C[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001030839387 816333730 /nfs/dbraw/zinc/33/37/30/816333730.db2.gz KGDBYDKWRADFHO-UKRRQHHQSA-N 2 2 297.443 0.942 20 0 CCADLP CC[C@@H](C)C[NH+]1CC(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001030839387 816333738 /nfs/dbraw/zinc/33/37/38/816333738.db2.gz KGDBYDKWRADFHO-UKRRQHHQSA-N 2 2 297.443 0.942 20 0 CCADLP CCC[NH+]1CC(NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001030962110 816508629 /nfs/dbraw/zinc/50/86/29/816508629.db2.gz NKUPCLHXGGNGSY-UHFFFAOYSA-N 2 2 253.390 0.929 20 0 CCADLP CCC[NH+]1CC(NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001030962110 816508635 /nfs/dbraw/zinc/50/86/35/816508635.db2.gz NKUPCLHXGGNGSY-UHFFFAOYSA-N 2 2 253.390 0.929 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001122295131 816632398 /nfs/dbraw/zinc/63/23/98/816632398.db2.gz DTUOPPGSVKHONM-ONGXEEELSA-N 2 2 250.346 0.704 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001031141036 816694656 /nfs/dbraw/zinc/69/46/56/816694656.db2.gz URDYVRKWWJYYFP-CYBMUJFWSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]CCCO ZINC001106498871 816793365 /nfs/dbraw/zinc/79/33/65/816793365.db2.gz UVKNQGYZKAJSDH-ZIAGYGMSSA-N 2 2 294.399 0.340 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC1C[NH+](CC2CCC2)C1 ZINC001031257471 816908466 /nfs/dbraw/zinc/90/84/66/816908466.db2.gz SYUSSVKNZKKNNZ-UHFFFAOYSA-N 2 2 262.357 0.563 20 0 CCADLP C[NH+](C)[C@H]1CCC[C@H](C(=O)NC2C[NH+](CCCO)C2)C1 ZINC001031256895 816908576 /nfs/dbraw/zinc/90/85/76/816908576.db2.gz FKAYBSGIQKVJEL-JSGCOSHPSA-N 2 2 283.416 0.290 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC1C[NH+](CC2CCOCC2)C1 ZINC001031316611 816970116 /nfs/dbraw/zinc/97/01/16/816970116.db2.gz MTYMUSGEOCMXPB-UHFFFAOYSA-N 2 2 292.383 0.488 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001031440273 817055903 /nfs/dbraw/zinc/05/59/03/817055903.db2.gz TVDCXNUFJCTXAX-DGCLKSJQSA-N 2 2 269.389 0.042 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001031440273 817055912 /nfs/dbraw/zinc/05/59/12/817055912.db2.gz TVDCXNUFJCTXAX-DGCLKSJQSA-N 2 2 269.389 0.042 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC1C[NH+](CC[C@H]2CCOC2)C1 ZINC001031477095 817072317 /nfs/dbraw/zinc/07/23/17/817072317.db2.gz QIPUQRZTHPBZPJ-LBPRGKRZSA-N 2 2 278.356 0.110 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC1C[NH+](CC2CCCC2)C1 ZINC001031476563 817072783 /nfs/dbraw/zinc/07/27/83/817072783.db2.gz VJVUAKYIFJLCRB-UHFFFAOYSA-N 2 2 262.357 0.874 20 0 CCADLP COCC[NH+]1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001031773560 817354574 /nfs/dbraw/zinc/35/45/74/817354574.db2.gz VXQVTXLDPOBWPG-UHFFFAOYSA-N 2 2 288.351 0.871 20 0 CCADLP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCc3[nH]ncc32)CC1 ZINC000353530839 817392081 /nfs/dbraw/zinc/39/20/81/817392081.db2.gz MTEITHNTADVFHT-LBPRGKRZSA-N 2 2 264.373 0.833 20 0 CCADLP CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]CCF ZINC000996458298 817809905 /nfs/dbraw/zinc/80/99/05/817809905.db2.gz TXWZFUXNMMUQOV-JTQLQIEISA-N 2 2 268.336 0.748 20 0 CCADLP CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001078761410 818050458 /nfs/dbraw/zinc/05/04/58/818050458.db2.gz LPPJZYCMSVHUBH-WDEREUQCSA-N 2 2 262.357 0.989 20 0 CCADLP CC[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001078825599 818057095 /nfs/dbraw/zinc/05/70/95/818057095.db2.gz DMDQBBNORVAJBS-RYUDHWBXSA-N 2 2 262.357 0.920 20 0 CCADLP CNC(=O)c1cc(NC(=[NH2+])N2CC[NH+](C)CC2)cnc1F ZINC001168746603 818628682 /nfs/dbraw/zinc/62/86/82/818628682.db2.gz YVPKYPCAOGZPPJ-UHFFFAOYSA-N 2 2 294.334 0.174 20 0 CCADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001033787121 818935526 /nfs/dbraw/zinc/93/55/26/818935526.db2.gz CICJAXIOAAKKCI-HUUCEWRRSA-N 2 2 297.443 0.896 20 0 CCADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001033787121 818935531 /nfs/dbraw/zinc/93/55/31/818935531.db2.gz CICJAXIOAAKKCI-HUUCEWRRSA-N 2 2 297.443 0.896 20 0 CCADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001033787121 818935535 /nfs/dbraw/zinc/93/55/35/818935535.db2.gz CICJAXIOAAKKCI-HUUCEWRRSA-N 2 2 297.443 0.896 20 0 CCADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001033787121 818935543 /nfs/dbraw/zinc/93/55/43/818935543.db2.gz CICJAXIOAAKKCI-HUUCEWRRSA-N 2 2 297.443 0.896 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCCC[N@@H+](CCF)C1 ZINC001034546986 819241931 /nfs/dbraw/zinc/24/19/31/819241931.db2.gz MBGHNTOHTRBBCD-LBPRGKRZSA-N 2 2 268.336 0.823 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCCC[N@H+](CCF)C1 ZINC001034546986 819241939 /nfs/dbraw/zinc/24/19/39/819241939.db2.gz MBGHNTOHTRBBCD-LBPRGKRZSA-N 2 2 268.336 0.823 20 0 CCADLP CCS(=O)(=O)C1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000703512752 819273617 /nfs/dbraw/zinc/27/36/17/819273617.db2.gz WUVAYWLCLOEDJH-OBPIAQAESA-N 2 2 284.425 0.540 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]1C[NH2+]C[C@H]1CCOC1 ZINC001035086415 819392184 /nfs/dbraw/zinc/39/21/84/819392184.db2.gz NVJWRHMZAZCJPZ-CHWSQXEVSA-N 2 2 292.383 0.569 20 0 CCADLP CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001035393123 819506238 /nfs/dbraw/zinc/50/62/38/819506238.db2.gz VDRYKDIDXSYBPT-OLZOCXBDSA-N 2 2 292.383 0.597 20 0 CCADLP CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001035393123 819506241 /nfs/dbraw/zinc/50/62/41/819506241.db2.gz VDRYKDIDXSYBPT-OLZOCXBDSA-N 2 2 292.383 0.597 20 0 CCADLP CC(C)[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001035416631 819519318 /nfs/dbraw/zinc/51/93/18/819519318.db2.gz LGOYAGJPCUXIAV-KGLIPLIRSA-N 2 2 283.416 0.696 20 0 CCADLP CC(C)[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001035416631 819519324 /nfs/dbraw/zinc/51/93/24/819519324.db2.gz LGOYAGJPCUXIAV-KGLIPLIRSA-N 2 2 283.416 0.696 20 0 CCADLP CC(C)[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001035416631 819519325 /nfs/dbraw/zinc/51/93/25/819519325.db2.gz LGOYAGJPCUXIAV-KGLIPLIRSA-N 2 2 283.416 0.696 20 0 CCADLP CC(C)[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001035416631 819519331 /nfs/dbraw/zinc/51/93/31/819519331.db2.gz LGOYAGJPCUXIAV-KGLIPLIRSA-N 2 2 283.416 0.696 20 0 CCADLP CCOC(=O)COCC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705701794 819545539 /nfs/dbraw/zinc/54/55/39/819545539.db2.gz IMEWJBINOIWQRL-GASCZTMLSA-N 2 2 284.400 0.840 20 0 CCADLP CCOC(=O)COCC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705701794 819545542 /nfs/dbraw/zinc/54/55/42/819545542.db2.gz IMEWJBINOIWQRL-GASCZTMLSA-N 2 2 284.400 0.840 20 0 CCADLP CCOC(=O)COCC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000705701794 819545545 /nfs/dbraw/zinc/54/55/45/819545545.db2.gz IMEWJBINOIWQRL-GASCZTMLSA-N 2 2 284.400 0.840 20 0 CCADLP CCOC(=O)COCC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000705701794 819545548 /nfs/dbraw/zinc/54/55/48/819545548.db2.gz IMEWJBINOIWQRL-GASCZTMLSA-N 2 2 284.400 0.840 20 0 CCADLP C[NH2+]CCOCC[N@H+](C)Cc1cc(Cl)n(C)n1 ZINC000706656276 819658199 /nfs/dbraw/zinc/65/81/99/819658199.db2.gz QSOITOCSGZRXPW-UHFFFAOYSA-N 2 2 260.769 0.741 20 0 CCADLP C[NH2+]CCOCC[N@@H+](C)Cc1cc(Cl)n(C)n1 ZINC000706656276 819658204 /nfs/dbraw/zinc/65/82/04/819658204.db2.gz QSOITOCSGZRXPW-UHFFFAOYSA-N 2 2 260.769 0.741 20 0 CCADLP CC(C)N1CC[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1=O ZINC000708711223 819777307 /nfs/dbraw/zinc/77/73/07/819777307.db2.gz GILLKHJDZCCWQG-SNIKSBKOSA-N 2 2 263.385 0.582 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711293242 819998315 /nfs/dbraw/zinc/99/83/15/819998315.db2.gz HPTJQPBRDGDQGY-BZPMIXESSA-N 2 2 262.357 0.920 20 0 CCADLP COC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001080783130 820632445 /nfs/dbraw/zinc/63/24/45/820632445.db2.gz LVIISCVUJWIUHX-YRGRVCCFSA-N 2 2 294.399 0.434 20 0 CCADLP COC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001080783130 820632450 /nfs/dbraw/zinc/63/24/50/820632450.db2.gz LVIISCVUJWIUHX-YRGRVCCFSA-N 2 2 294.399 0.434 20 0 CCADLP CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H](OC)C1 ZINC001081867047 820847605 /nfs/dbraw/zinc/84/76/05/820847605.db2.gz CZEYKTLZKMNBHI-MRVWCRGKSA-N 2 2 292.383 0.281 20 0 CCADLP CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H](OC)C1 ZINC001081867047 820847614 /nfs/dbraw/zinc/84/76/14/820847614.db2.gz CZEYKTLZKMNBHI-MRVWCRGKSA-N 2 2 292.383 0.281 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1[NH2+]CCF ZINC001082604366 821004051 /nfs/dbraw/zinc/00/40/51/821004051.db2.gz MOVHODLSMBEBMG-MBNYWOFBSA-N 2 2 294.374 0.852 20 0 CCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]C[C@H]1CCOC1 ZINC001082957697 821071393 /nfs/dbraw/zinc/07/13/93/821071393.db2.gz ZLEGWFIREAJVKM-MGPQQGTHSA-N 2 2 292.383 0.356 20 0 CCADLP CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001084798798 821394442 /nfs/dbraw/zinc/39/44/42/821394442.db2.gz CXIDJHJFHJCNHY-DGCLKSJQSA-N 2 2 262.357 0.813 20 0 CCADLP CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001084798798 821394453 /nfs/dbraw/zinc/39/44/53/821394453.db2.gz CXIDJHJFHJCNHY-DGCLKSJQSA-N 2 2 262.357 0.813 20 0 CCADLP O=S(=O)([C@@H]1CCC[NH2+]C1)N1CC[NH+](C2CCC2)CC1 ZINC000378767312 821595542 /nfs/dbraw/zinc/59/55/42/821595542.db2.gz VVDRRQPNFJLXIT-CYBMUJFWSA-N 2 2 287.429 0.238 20 0 CCADLP CN(C[C@@H]1CC[N@@H+]1CCF)C(=O)[C@H]1CC[NH+](C)C1 ZINC001085968814 822043750 /nfs/dbraw/zinc/04/37/50/822043750.db2.gz PVWBTBNHGWCHKE-RYUDHWBXSA-N 2 2 257.353 0.440 20 0 CCADLP CN(C[C@@H]1CC[N@H+]1CCF)C(=O)[C@H]1CC[NH+](C)C1 ZINC001085968814 822043757 /nfs/dbraw/zinc/04/37/57/822043757.db2.gz PVWBTBNHGWCHKE-RYUDHWBXSA-N 2 2 257.353 0.440 20 0 CCADLP CN(C[C@@H]1CC[NH+]1CCF)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001085968814 822043766 /nfs/dbraw/zinc/04/37/66/822043766.db2.gz PVWBTBNHGWCHKE-RYUDHWBXSA-N 2 2 257.353 0.440 20 0 CCADLP CN(C[C@@H]1CC[NH+]1CCF)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001085968814 822043779 /nfs/dbraw/zinc/04/37/79/822043779.db2.gz PVWBTBNHGWCHKE-RYUDHWBXSA-N 2 2 257.353 0.440 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)CC[C@H]2CCC[N@H+]2C)o1 ZINC001129856881 837569884 /nfs/dbraw/zinc/56/98/84/837569884.db2.gz ZJOPDRWLFSFVAV-GFCCVEGCSA-N 2 2 295.387 0.458 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)CC[C@H]2CCC[N@@H+]2C)o1 ZINC001129856881 837569888 /nfs/dbraw/zinc/56/98/88/837569888.db2.gz ZJOPDRWLFSFVAV-GFCCVEGCSA-N 2 2 295.387 0.458 20 0 CCADLP O=C(NCC[NH2+]C[C@@H]1CCCCO1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129892866 837577949 /nfs/dbraw/zinc/57/79/49/837577949.db2.gz COVOLWMVXPJLOS-YNEHKIRRSA-N 2 2 292.383 0.788 20 0 CCADLP O=C(NCC[NH2+]C[C@@H]1CCCCO1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129892866 837577956 /nfs/dbraw/zinc/57/79/56/837577956.db2.gz COVOLWMVXPJLOS-YNEHKIRRSA-N 2 2 292.383 0.788 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C)o1 ZINC001129947285 837597837 /nfs/dbraw/zinc/59/78/37/837597837.db2.gz RUMLSZCSQKCLOR-ZDUSSCGKSA-N 2 2 282.388 0.775 20 0 CCADLP CC[C@H](C(=O)NCC[NH2+]Cc1nc(C)c(C)o1)[NH+](C)C ZINC001130197382 837723467 /nfs/dbraw/zinc/72/34/67/837723467.db2.gz HKTUJCBTXJRKOF-GFCCVEGCSA-N 2 2 282.388 0.837 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)[C@@H]2CCCC[N@H+]2C)o1 ZINC001130298025 837754651 /nfs/dbraw/zinc/75/46/51/837754651.db2.gz WAWKBPZFVVOWEO-LBPRGKRZSA-N 2 2 280.372 0.673 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)[C@@H]2CCCC[N@@H+]2C)o1 ZINC001130298025 837754658 /nfs/dbraw/zinc/75/46/58/837754658.db2.gz WAWKBPZFVVOWEO-LBPRGKRZSA-N 2 2 280.372 0.673 20 0 CCADLP C[C@@H](F)CC[NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130404204 837787314 /nfs/dbraw/zinc/78/73/14/837787314.db2.gz HRCLOVVYWMXTOD-NEPJUHHUSA-N 2 2 282.363 0.899 20 0 CCADLP CCOCCC[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130481371 837804046 /nfs/dbraw/zinc/80/40/46/837804046.db2.gz QSNBKWHDEVQUID-ZDUSSCGKSA-N 2 2 294.399 0.578 20 0 CCADLP CCCC[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130488352 837810974 /nfs/dbraw/zinc/81/09/74/837810974.db2.gz PNYMFSVDMUAQIC-GFCCVEGCSA-N 2 2 264.373 0.951 20 0 CCADLP CO[C@H](C)C[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130487527 837813045 /nfs/dbraw/zinc/81/30/45/837813045.db2.gz HGUZPZDOYGAIIO-VXGBXAGGSA-N 2 2 280.372 0.186 20 0 CCADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[C@@H]([NH2+]CCCF)C1 ZINC001183771897 844084801 /nfs/dbraw/zinc/08/48/01/844084801.db2.gz DMIPGFZOWZNQIK-CHWSQXEVSA-N 2 2 294.374 0.996 20 0 CCADLP [NH3+][C@@H]1CCN(c2cccc(N3CCC([NH3+])CC3)[nH+]2)C1 ZINC001156227357 836016960 /nfs/dbraw/zinc/01/69/60/836016960.db2.gz SMKRMMCHBAIIOG-GFCCVEGCSA-N 3 2 261.373 0.547 20 0 CCADLP Cn1cnc(-c2ccc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)cc2)n1 ZINC001169075660 836128194 /nfs/dbraw/zinc/12/81/94/836128194.db2.gz UMDZLUUHLWJTOR-GFCCVEGCSA-N 2 2 298.350 0.530 20 0 CCADLP C[NH+](C)/C=C/c1ccncc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169074993 836129165 /nfs/dbraw/zinc/12/91/65/836129165.db2.gz DISXZEUZYWNAHY-DIECRNLCSA-N 3 2 287.367 0.662 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cncc(C(N)=O)c1)C2 ZINC001169117826 836136296 /nfs/dbraw/zinc/13/62/96/836136296.db2.gz AEAGDBUWNFPZIL-ZSOGYDGISA-N 2 2 274.368 0.895 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1cncc(C(N)=O)c1)C2 ZINC001169117826 836136300 /nfs/dbraw/zinc/13/63/00/836136300.db2.gz AEAGDBUWNFPZIL-ZSOGYDGISA-N 2 2 274.368 0.895 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Nc2c[nH+]cc3cc[nH]c32)C[NH2+]1 ZINC001169130179 836145632 /nfs/dbraw/zinc/14/56/32/836145632.db2.gz KLVPCRKUWZJLSC-ZJUUUORDSA-N 2 2 260.297 0.878 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]C[C@@H]1CCOC1 ZINC001169212095 836160069 /nfs/dbraw/zinc/16/00/69/836160069.db2.gz PFBCFZMVMPDTID-NSHDSACASA-N 2 2 266.345 0.085 20 0 CCADLP CO[C@@H](C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1)C1CCC1 ZINC001169212073 836160455 /nfs/dbraw/zinc/16/04/55/836160455.db2.gz OHZPPTCMTBUUJG-ZDUSSCGKSA-N 2 2 294.399 0.863 20 0 CCADLP CC(C)OCC[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169228556 836163338 /nfs/dbraw/zinc/16/33/38/836163338.db2.gz KUJQLWPRAWUSHF-UHFFFAOYSA-N 2 2 268.361 0.473 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H](n2cc[nH+]c2CC[NH3+])CO1 ZINC001169317812 836194962 /nfs/dbraw/zinc/19/49/62/836194962.db2.gz CUSZSQZVYRRREA-MNOVXSKESA-N 2 2 267.329 0.668 20 0 CCADLP Cc1[nH+]ccn1-c1ccc(-n2nncc2C[NH3+])nn1 ZINC001169311258 836211633 /nfs/dbraw/zinc/21/16/33/836211633.db2.gz UNUOODJJULWVOF-UHFFFAOYSA-N 2 2 256.273 0.010 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001184211036 844178241 /nfs/dbraw/zinc/17/82/41/844178241.db2.gz GTSFFRNYNKWMHO-GFCCVEGCSA-N 2 2 288.351 0.785 20 0 CCADLP C[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001109581057 836700062 /nfs/dbraw/zinc/70/00/62/836700062.db2.gz HHFCJMHERDIBMQ-CRWXNKLISA-N 2 2 292.383 0.376 20 0 CCADLP C[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001109581057 836700074 /nfs/dbraw/zinc/70/00/74/836700074.db2.gz HHFCJMHERDIBMQ-CRWXNKLISA-N 2 2 292.383 0.376 20 0 CCADLP CC/C=C/CC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001112742018 836890298 /nfs/dbraw/zinc/89/02/98/836890298.db2.gz LIESMEUXBYBHDM-RGDDUWESSA-N 2 2 295.427 0.818 20 0 CCADLP CC/C=C/CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001112742018 836890305 /nfs/dbraw/zinc/89/03/05/836890305.db2.gz LIESMEUXBYBHDM-RGDDUWESSA-N 2 2 295.427 0.818 20 0 CCADLP CC[C@H](C(=O)N1CC[NH+](CCOCC2CC2)CC1)[NH+](C)C ZINC001113010559 836994667 /nfs/dbraw/zinc/99/46/67/836994667.db2.gz CWZIZMAQCQGPNE-OAHLLOKOSA-N 2 2 297.443 0.897 20 0 CCADLP CC[N@@H+](C)C(C)(C)C(=O)N1CC[NH+](CCCO)CC1 ZINC001113032788 837004816 /nfs/dbraw/zinc/00/48/16/837004816.db2.gz HJKYNFICZNACBE-UHFFFAOYSA-N 2 2 271.405 0.243 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001184710119 844275292 /nfs/dbraw/zinc/27/52/92/844275292.db2.gz RIZWADZGAMNIOZ-QWHCGFSZSA-N 2 2 280.372 0.499 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH2+]CCc2[nH+]ccn2C)C1 ZINC001170540368 837998061 /nfs/dbraw/zinc/99/80/61/837998061.db2.gz RCFRPNMTQZUQCY-MNOVXSKESA-N 2 2 251.330 0.894 20 0 CCADLP C[C@H](O)CCC[NH2+]CCNC(=O)c1cccc2[nH+]ccn21 ZINC001131270470 838029926 /nfs/dbraw/zinc/02/99/26/838029926.db2.gz KSWDMEDLAUYGPW-LBPRGKRZSA-N 2 2 290.367 0.815 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+][C@@H](C)c1ncccn1 ZINC001131385763 838072935 /nfs/dbraw/zinc/07/29/35/838072935.db2.gz WDUUILCMCQDJPT-LBPRGKRZSA-N 2 2 288.355 0.449 20 0 CCADLP C[C@@H](Nc1ccc2c([nH+]1)CCOC2)[C@H]1C[NH2+]CCO1 ZINC001170561898 838103625 /nfs/dbraw/zinc/10/36/25/838103625.db2.gz GVYIKWDCNDZOFD-ZWNOBZJWSA-N 2 2 263.341 0.943 20 0 CCADLP CCN(C)c1cc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)[nH+]cn1 ZINC001170566078 838120085 /nfs/dbraw/zinc/12/00/85/838120085.db2.gz XCXMBGXDYWPIIU-QWRGUYRKSA-N 2 2 265.361 0.722 20 0 CCADLP CCN(C)c1cc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)nc[nH+]1 ZINC001170566078 838120092 /nfs/dbraw/zinc/12/00/92/838120092.db2.gz XCXMBGXDYWPIIU-QWRGUYRKSA-N 2 2 265.361 0.722 20 0 CCADLP CCOC1CC(C[NH2+]CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001132082823 838314444 /nfs/dbraw/zinc/31/44/44/838314444.db2.gz WWJAUMLSBZOONO-UHFFFAOYSA-N 2 2 294.399 0.794 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]C[C@H]1C[C@]12CCOC2 ZINC001132082383 838314631 /nfs/dbraw/zinc/31/46/31/838314631.db2.gz NCRVHHTYLXPWEV-HIFRSBDPSA-N 2 2 292.383 0.406 20 0 CCADLP CC[C@H](F)C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132082470 838314985 /nfs/dbraw/zinc/31/49/85/838314985.db2.gz POUXYQSNHFAWOZ-NSHDSACASA-N 2 2 256.325 0.727 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[N@@H+]1CCO ZINC001132222446 838339521 /nfs/dbraw/zinc/33/95/21/838339521.db2.gz XZCFWWIKTMDQOR-OLZOCXBDSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[N@H+]1CCO ZINC001132222446 838339527 /nfs/dbraw/zinc/33/95/27/838339527.db2.gz XZCFWWIKTMDQOR-OLZOCXBDSA-N 2 2 280.372 0.235 20 0 CCADLP O=C(NCC[NH2+]CCF)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001132783988 838493709 /nfs/dbraw/zinc/49/37/09/838493709.db2.gz DJMKFLILNFHUCV-ZDUSSCGKSA-N 2 2 287.379 0.305 20 0 CCADLP O=C(NCC[NH2+]CCF)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001132783988 838493714 /nfs/dbraw/zinc/49/37/14/838493714.db2.gz DJMKFLILNFHUCV-ZDUSSCGKSA-N 2 2 287.379 0.305 20 0 CCADLP C[NH+](C)CCC(=O)NCC[NH2+]Cc1nc(CC2CC2)no1 ZINC001133287078 838589194 /nfs/dbraw/zinc/58/91/94/838589194.db2.gz DUXQLUFWYJIRNX-UHFFFAOYSA-N 2 2 295.387 0.180 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)CC[NH+](C)C)c1csnn1 ZINC001133288507 838589950 /nfs/dbraw/zinc/58/99/50/838589950.db2.gz YPEUSFMHLOOAMJ-SECBINFHSA-N 2 2 271.390 0.257 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)C[N@H+]2CC[C@H](C)C2)s1 ZINC001133845876 838745067 /nfs/dbraw/zinc/74/50/67/838745067.db2.gz PEHRSGUTPVKDJV-JTQLQIEISA-N 2 2 297.428 0.394 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)C[N@@H+]2CC[C@H](C)C2)s1 ZINC001133845876 838745077 /nfs/dbraw/zinc/74/50/77/838745077.db2.gz PEHRSGUTPVKDJV-JTQLQIEISA-N 2 2 297.428 0.394 20 0 CCADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C[NH2+]CCCO ZINC001185212851 844364583 /nfs/dbraw/zinc/36/45/83/844364583.db2.gz ANRJDJGAVYVULH-STQMWFEESA-N 2 2 294.399 0.409 20 0 CCADLP Cc1noc(C[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C)n1 ZINC001133899823 838774569 /nfs/dbraw/zinc/77/45/69/838774569.db2.gz ZIBOXBSPZNZVFR-UHFFFAOYSA-N 2 2 297.403 0.562 20 0 CCADLP Cc1noc(C[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C)n1 ZINC001133899823 838774574 /nfs/dbraw/zinc/77/45/74/838774574.db2.gz ZIBOXBSPZNZVFR-UHFFFAOYSA-N 2 2 297.403 0.562 20 0 CCADLP CC[C@@H](C(=O)NCC[NH2+][C@@H](C)c1ncccn1)[NH+](C)C ZINC001133965773 838793746 /nfs/dbraw/zinc/79/37/46/838793746.db2.gz JPDVXYFNITVNHJ-RYUDHWBXSA-N 2 2 279.388 0.584 20 0 CCADLP CO[C@@H](C)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134049556 838843957 /nfs/dbraw/zinc/84/39/57/838843957.db2.gz IGLZJYXKBFCNQG-QJPTWQEYSA-N 2 2 280.372 0.264 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]Cc1cccnc1 ZINC001134049557 838845222 /nfs/dbraw/zinc/84/52/22/838845222.db2.gz IKBPRQCSHXDCLH-ZIAGYGMSSA-N 2 2 299.378 0.825 20 0 CCADLP C[C@@H]1C[C@H](C[NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)CCO1 ZINC001134393011 838964300 /nfs/dbraw/zinc/96/43/00/838964300.db2.gz GCLDKHQPEHVYSJ-VXGBXAGGSA-N 2 2 280.372 0.473 20 0 CCADLP Cc1ncc(C[NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)s1 ZINC001134393696 838965633 /nfs/dbraw/zinc/96/56/33/838965633.db2.gz RXXZNIUHNPRDJN-UHFFFAOYSA-N 2 2 279.369 0.623 20 0 CCADLP COCCCCC[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134396571 838966579 /nfs/dbraw/zinc/96/65/79/838966579.db2.gz ALWKVGBIIPOION-UHFFFAOYSA-N 2 2 268.361 0.475 20 0 CCADLP C[C@H](CC(=O)NCC[NH2+]CC1CC1)n1cc[nH+]c1 ZINC001134498867 838994688 /nfs/dbraw/zinc/99/46/88/838994688.db2.gz QLCRBHMHNUKDFN-LLVKDONJSA-N 2 2 250.346 0.950 20 0 CCADLP CC[C@@H](C[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1)OC ZINC001134498662 838995119 /nfs/dbraw/zinc/99/51/19/838995119.db2.gz MKLGLUCDVAYAJW-STQMWFEESA-N 2 2 282.388 0.965 20 0 CCADLP C[C@H](C[C@@H](C)[NH2+]CCCO)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134549149 839003739 /nfs/dbraw/zinc/00/37/39/839003739.db2.gz NVBBIDATGKCKOJ-VXGBXAGGSA-N 2 2 282.388 0.598 20 0 CCADLP C[C@H](C[C@@H](C)[NH2+]CCCO)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134549149 839003753 /nfs/dbraw/zinc/00/37/53/839003753.db2.gz NVBBIDATGKCKOJ-VXGBXAGGSA-N 2 2 282.388 0.598 20 0 CCADLP CC[NH+](CC)[C@H](C(=O)NCC[NH2+]Cc1cnon1)C(C)C ZINC001135474411 839255959 /nfs/dbraw/zinc/25/59/59/839255959.db2.gz PIRPQNBQCMTQMV-ZDUSSCGKSA-N 2 2 297.403 0.642 20 0 CCADLP COCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135553165 839293567 /nfs/dbraw/zinc/29/35/67/839293567.db2.gz QQRVFPMZLZQELW-QWRGUYRKSA-N 2 2 268.361 0.472 20 0 CCADLP C[C@@H](Nc1cc(N(C)C)nc[nH+]1)[C@@H]1C[NH2+]CCO1 ZINC001159489497 839304356 /nfs/dbraw/zinc/30/43/56/839304356.db2.gz PHXXYWZCOLOGRJ-ZJUUUORDSA-N 2 2 251.334 0.331 20 0 CCADLP C[C@@H](Nc1cc(N(C)C)[nH+]cn1)[C@@H]1C[NH2+]CCO1 ZINC001159489497 839304364 /nfs/dbraw/zinc/30/43/64/839304364.db2.gz PHXXYWZCOLOGRJ-ZJUUUORDSA-N 2 2 251.334 0.331 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CCOCC1CC1 ZINC001135760571 839394674 /nfs/dbraw/zinc/39/46/74/839394674.db2.gz OBQQCFUTNIETDY-UHFFFAOYSA-N 2 2 266.345 0.085 20 0 CCADLP CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135799883 839418881 /nfs/dbraw/zinc/41/88/81/839418881.db2.gz YZNHNQAPDAUQQS-NEPJUHHUSA-N 2 2 282.388 0.862 20 0 CCADLP CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135799886 839420663 /nfs/dbraw/zinc/42/06/63/839420663.db2.gz YZNHNQAPDAUQQS-VXGBXAGGSA-N 2 2 282.388 0.862 20 0 CCADLP CC[C@]([NH3+])(CO)Nc1cc[nH+]c(OCCOC)c1 ZINC001170865770 839469412 /nfs/dbraw/zinc/46/94/12/839469412.db2.gz IIANAFPOCYZTPM-GFCCVEGCSA-N 2 2 255.318 0.576 20 0 CCADLP CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001135949239 839477394 /nfs/dbraw/zinc/47/73/94/839477394.db2.gz KBFJAWJVOCXODZ-CHWSQXEVSA-N 2 2 296.415 0.872 20 0 CCADLP [NH3+]CCC[C@@H]([NH3+])Nc1nc2[nH]cnc2c(C(F)(F)F)n1 ZINC001170897581 839543232 /nfs/dbraw/zinc/54/32/32/839543232.db2.gz OBCQEUULBYDGDW-YFKPBYRVSA-N 2 2 289.265 0.759 20 0 CCADLP Cc1[nH+]ccn1-c1cncc(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001170898734 839544741 /nfs/dbraw/zinc/54/47/41/839544741.db2.gz UZZUGQVBGQKXAK-JTQLQIEISA-N 3 2 261.333 0.406 20 0 CCADLP Cc1[nH+]ccn1-c1cncc(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001170898735 839545011 /nfs/dbraw/zinc/54/50/11/839545011.db2.gz UZZUGQVBGQKXAK-SNVBAGLBSA-N 3 2 261.333 0.406 20 0 CCADLP COC(=O)c1nc2nc(N[C@H]([NH3+])CCC[NH3+])ccc2[nH]1 ZINC001170900696 839550340 /nfs/dbraw/zinc/55/03/40/839550340.db2.gz OLKYMHDNVNNBOV-QMMMGPOBSA-N 2 2 278.316 0.180 20 0 CCADLP CC(C)(C)OC(=O)[C@H](O)C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001246057678 839588653 /nfs/dbraw/zinc/58/86/53/839588653.db2.gz BZKZVSIMDKICJA-YNEHKIRRSA-N 2 2 284.400 0.763 20 0 CCADLP CC(C)(C)OC(=O)[C@H](O)C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001246057678 839588658 /nfs/dbraw/zinc/58/86/58/839588658.db2.gz BZKZVSIMDKICJA-YNEHKIRRSA-N 2 2 284.400 0.763 20 0 CCADLP CC(C)(C)OC(=O)[C@H](O)C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001246057676 839589325 /nfs/dbraw/zinc/58/93/25/839589325.db2.gz BZKZVSIMDKICJA-RWMBFGLXSA-N 2 2 284.400 0.763 20 0 CCADLP CC(C)(C)OC(=O)[C@H](O)C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001246057676 839589333 /nfs/dbraw/zinc/58/93/33/839589333.db2.gz BZKZVSIMDKICJA-RWMBFGLXSA-N 2 2 284.400 0.763 20 0 CCADLP F[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCC2(C1)OCCO2 ZINC001246088775 839602834 /nfs/dbraw/zinc/60/28/34/839602834.db2.gz XJYCBUKWHOQFIC-UTUOFQBUSA-N 2 2 258.337 0.962 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@H](NC[C@@H]2C[C@H](F)C[NH2+]2)C[NH2+]1 ZINC001246093161 839605336 /nfs/dbraw/zinc/60/53/36/839605336.db2.gz VRYZACZDZDXELZ-BJDJZHNGSA-N 2 2 287.379 0.348 20 0 CCADLP F[C@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCC2(C1)OCCO2 ZINC001246094378 839607114 /nfs/dbraw/zinc/60/71/14/839607114.db2.gz XJYCBUKWHOQFIC-WOPDTQHZSA-N 2 2 258.337 0.962 20 0 CCADLP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001090680543 839731698 /nfs/dbraw/zinc/73/16/98/839731698.db2.gz WGLMGWMQCYRLAT-STQMWFEESA-N 2 2 292.383 0.470 20 0 CCADLP CC(C)=CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001090680543 839731708 /nfs/dbraw/zinc/73/17/08/839731708.db2.gz WGLMGWMQCYRLAT-STQMWFEESA-N 2 2 292.383 0.470 20 0 CCADLP CCC[NH2+]CCN[C@@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246272260 839753377 /nfs/dbraw/zinc/75/33/77/839753377.db2.gz UWPASHMMOYVBIB-RYUDHWBXSA-N 2 2 271.405 0.648 20 0 CCADLP COc1ccc(C[C@H](CO)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC001246277200 839754258 /nfs/dbraw/zinc/75/42/58/839754258.db2.gz GJAAJTUVUZRKLY-UONOGXRCSA-N 2 2 264.369 0.940 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@@H](N[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246357814 839821518 /nfs/dbraw/zinc/82/15/18/839821518.db2.gz MYOWBMWGRAMDFJ-NQBHXWOUSA-N 2 2 255.362 0.012 20 0 CCADLP COC[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001185924878 844476330 /nfs/dbraw/zinc/47/63/30/844476330.db2.gz GVSQJFQKWVIKEP-WDEREUQCSA-N 2 2 266.345 0.178 20 0 CCADLP CC(C)OC(=O)CC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246497729 839875929 /nfs/dbraw/zinc/87/59/29/839875929.db2.gz PYTCYOBMNLOOOI-RYUDHWBXSA-N 2 2 257.378 0.258 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CCN1 ZINC001246636138 840208165 /nfs/dbraw/zinc/20/81/65/840208165.db2.gz TXXKZGSJLYZJOP-MROQNXINSA-N 2 2 267.373 0.106 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CCN1 ZINC001246636138 840208168 /nfs/dbraw/zinc/20/81/68/840208168.db2.gz TXXKZGSJLYZJOP-MROQNXINSA-N 2 2 267.373 0.106 20 0 CCADLP O=C(N1CCC2(C[C@H](F)CO2)CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160789594 840228437 /nfs/dbraw/zinc/22/84/37/840228437.db2.gz XWIZVBZGFBKULF-XUJVJEKNSA-N 2 2 297.374 0.058 20 0 CCADLP COC(=O)[C@H]([NH3+])C1CC[NH+]([C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246860672 840329151 /nfs/dbraw/zinc/32/91/51/840329151.db2.gz ADIYMBKOMZYQRX-CYZMBNFOSA-N 3 2 269.389 0.339 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CCOCC1CCC1 ZINC001147877231 840710330 /nfs/dbraw/zinc/71/03/30/840710330.db2.gz HOETZHWEBLFOGC-UHFFFAOYSA-N 2 2 294.399 0.485 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1)c1csnn1 ZINC001147884161 840713459 /nfs/dbraw/zinc/71/34/59/840713459.db2.gz AMIGCWOAUYLVMR-MNOVXSKESA-N 2 2 297.428 0.647 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1csnn1 ZINC001147884161 840713469 /nfs/dbraw/zinc/71/34/69/840713469.db2.gz AMIGCWOAUYLVMR-MNOVXSKESA-N 2 2 297.428 0.647 20 0 CCADLP Cc1noc([C@H](C)[NH2+]CCNC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001147900735 840718552 /nfs/dbraw/zinc/71/85/52/840718552.db2.gz VBALNUQKKAQGEO-CMPLNLGQSA-N 2 2 295.387 0.487 20 0 CCADLP Cc1noc([C@H](C)[NH2+]CCNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001147900735 840718561 /nfs/dbraw/zinc/71/85/61/840718561.db2.gz VBALNUQKKAQGEO-CMPLNLGQSA-N 2 2 295.387 0.487 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)C12CC[NH+](CC1)C2)c1csnn1 ZINC001147977329 840726349 /nfs/dbraw/zinc/72/63/49/840726349.db2.gz OECJJLGRPDVQBA-JTQLQIEISA-N 2 2 295.412 0.401 20 0 CCADLP CCC[N@H+](C)CCC(=O)NCC[NH2+]Cc1cnon1 ZINC001148577835 840844914 /nfs/dbraw/zinc/84/49/14/840844914.db2.gz GFGRLQJDOBQWND-UHFFFAOYSA-N 2 2 269.349 0.007 20 0 CCADLP CCC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1cnon1 ZINC001148577835 840844919 /nfs/dbraw/zinc/84/49/19/840844919.db2.gz GFGRLQJDOBQWND-UHFFFAOYSA-N 2 2 269.349 0.007 20 0 CCADLP C[NH+]1CCC2(C[C@@H]2C(=O)NCCn2cc[nH+]c2)CC1 ZINC001273525710 844593011 /nfs/dbraw/zinc/59/30/11/844593011.db2.gz XDNBUDTWAOASCC-GFCCVEGCSA-N 2 2 262.357 0.731 20 0 CCADLP OCC[NH2+]C1CC[NH+](CCCOC(F)(F)F)CC1 ZINC000713416059 841131248 /nfs/dbraw/zinc/13/12/48/841131248.db2.gz UPRUPYSYVLTEEE-UHFFFAOYSA-N 2 2 270.295 0.959 20 0 CCADLP Cc1nc(NCCNC(=O)[C@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001093638607 841389735 /nfs/dbraw/zinc/38/97/35/841389735.db2.gz DIUXBSPDWRCDKO-NSHDSACASA-N 2 2 263.345 0.265 20 0 CCADLP Cc1nc(NCCNC(=O)[C@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001093638607 841389747 /nfs/dbraw/zinc/38/97/47/841389747.db2.gz DIUXBSPDWRCDKO-NSHDSACASA-N 2 2 263.345 0.265 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]2[C@@H](CC[N@H+]2CCF)C1 ZINC001036851816 841395394 /nfs/dbraw/zinc/39/53/94/841395394.db2.gz RYVZFXSUPZQOMK-NWDGAFQWSA-N 2 2 280.347 0.845 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCF)C1 ZINC001036851816 841395407 /nfs/dbraw/zinc/39/54/07/841395407.db2.gz RYVZFXSUPZQOMK-NWDGAFQWSA-N 2 2 280.347 0.845 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]2[C@H](CC[N@H+]2CCCO)C1 ZINC001036854275 841398242 /nfs/dbraw/zinc/39/82/42/841398242.db2.gz IRHMFZLJHNNRLS-CHWSQXEVSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]2[C@H](CC[N@@H+]2CCCO)C1 ZINC001036854275 841398255 /nfs/dbraw/zinc/39/82/55/841398255.db2.gz IRHMFZLJHNNRLS-CHWSQXEVSA-N 2 2 292.383 0.257 20 0 CCADLP COC(=O)[C@@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCO1 ZINC001172119994 841851674 /nfs/dbraw/zinc/85/16/74/841851674.db2.gz IGBXCCQBBNDVJL-DGAVXFQQSA-N 2 2 282.384 0.876 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCO1 ZINC001172119994 841851667 /nfs/dbraw/zinc/85/16/67/841851667.db2.gz IGBXCCQBBNDVJL-DGAVXFQQSA-N 2 2 282.384 0.876 20 0 CCADLP COC(=O)[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCO1 ZINC001172119994 841851679 /nfs/dbraw/zinc/85/16/79/841851679.db2.gz IGBXCCQBBNDVJL-DGAVXFQQSA-N 2 2 282.384 0.876 20 0 CCADLP COC(=O)[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCO1 ZINC001172119994 841851682 /nfs/dbraw/zinc/85/16/82/841851682.db2.gz IGBXCCQBBNDVJL-DGAVXFQQSA-N 2 2 282.384 0.876 20 0 CCADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCNC(=O)CC1)C2 ZINC001172115068 841853304 /nfs/dbraw/zinc/85/33/04/841853304.db2.gz UCNBKGRDGSQJLJ-ITGUQSILSA-N 2 2 251.374 0.824 20 0 CCADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCNC(=O)CC1)C2 ZINC001172115068 841853307 /nfs/dbraw/zinc/85/33/07/841853307.db2.gz UCNBKGRDGSQJLJ-ITGUQSILSA-N 2 2 251.374 0.824 20 0 CCADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCNC(=O)CC1)C2 ZINC001172115068 841853311 /nfs/dbraw/zinc/85/33/11/841853311.db2.gz UCNBKGRDGSQJLJ-ITGUQSILSA-N 2 2 251.374 0.824 20 0 CCADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCNC(=O)CC1)C2 ZINC001172115068 841853316 /nfs/dbraw/zinc/85/33/16/841853316.db2.gz UCNBKGRDGSQJLJ-ITGUQSILSA-N 2 2 251.374 0.824 20 0 CCADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172151342 841864139 /nfs/dbraw/zinc/86/41/39/841864139.db2.gz UOESMUUUVIHLHZ-AVGNSLFASA-N 2 2 251.374 0.824 20 0 CCADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172151342 841864146 /nfs/dbraw/zinc/86/41/46/841864146.db2.gz UOESMUUUVIHLHZ-AVGNSLFASA-N 2 2 251.374 0.824 20 0 CCADLP COCCC[NH+]1CCC([NH2+]C2CN(C(C)=O)C2)CC1 ZINC001172247556 841910500 /nfs/dbraw/zinc/91/05/00/841910500.db2.gz MHHWHLURYVBBPH-UHFFFAOYSA-N 2 2 269.389 0.308 20 0 CCADLP [NH3+]CCc1[nH+]ccn1[C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173732345 842163194 /nfs/dbraw/zinc/16/31/94/842163194.db2.gz FNMLMWCYSWKBOQ-MNOVXSKESA-N 2 2 261.333 0.727 20 0 CCADLP C[C@H](CCCC[NH2+]CCO)NC(=O)CCn1cc[nH+]c1 ZINC001174588720 842190997 /nfs/dbraw/zinc/19/09/97/842190997.db2.gz PVMUSOKODOHQGR-CYBMUJFWSA-N 2 2 282.388 0.530 20 0 CCADLP C[C@@H](O)C[NH2+]CCCC[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001174581577 842191462 /nfs/dbraw/zinc/19/14/62/842191462.db2.gz UEYMSKTUGIPEOY-UONOGXRCSA-N 2 2 296.415 0.919 20 0 CCADLP C[C@H](CCCC[NH2+]CCO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175881806 842289561 /nfs/dbraw/zinc/28/95/61/842289561.db2.gz WZILPTYPQVVLOV-LLVKDONJSA-N 2 2 268.361 0.209 20 0 CCADLP Cc1cnc(C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)s1 ZINC001177404786 842578000 /nfs/dbraw/zinc/57/80/00/842578000.db2.gz GXIFZEZLIDZVSN-UHFFFAOYSA-N 2 2 293.396 0.944 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]Cc1nncs1 ZINC001177404517 842578392 /nfs/dbraw/zinc/57/83/92/842578392.db2.gz BUULKBOOXUSVAG-UHFFFAOYSA-N 2 2 280.357 0.031 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]Cc1cnns1 ZINC001177404783 842578923 /nfs/dbraw/zinc/57/89/23/842578923.db2.gz GXBCLKDVKZBUBN-UHFFFAOYSA-N 2 2 280.357 0.031 20 0 CCADLP C[C@@H]1C[C@H](C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)CCO1 ZINC001177404819 842579287 /nfs/dbraw/zinc/57/92/87/842579287.db2.gz HILRCTRSHQAOFX-ZIAGYGMSSA-N 2 2 294.399 0.794 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]CCC(F)(F)F ZINC001177404805 842579574 /nfs/dbraw/zinc/57/95/74/842579574.db2.gz GZKDOGOKKZEUDK-UHFFFAOYSA-N 2 2 278.278 0.931 20 0 CCADLP C[C@H](F)CC[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177406386 842580800 /nfs/dbraw/zinc/58/08/00/842580800.db2.gz WNVJEHVKFDRQGK-NSHDSACASA-N 2 2 256.325 0.727 20 0 CCADLP C[C@H](C(=O)N(CC[NH3+])c1cccnc1)n1cc[nH+]c1 ZINC001177927873 842716437 /nfs/dbraw/zinc/71/64/37/842716437.db2.gz ZZWJKWPGSJIMGX-LLVKDONJSA-N 2 2 259.313 0.831 20 0 CCADLP C[NH+]1CCC(CO)(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001178122025 842778382 /nfs/dbraw/zinc/77/83/82/842778382.db2.gz PXZAMQPLMVLQJT-GFCCVEGCSA-N 2 2 292.383 0.018 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001179257951 842980804 /nfs/dbraw/zinc/98/08/04/842980804.db2.gz JEFUZUMZOGWYQJ-STQMWFEESA-N 2 2 280.372 0.499 20 0 CCADLP CC[N@H+](C)[C@@H]1CCN(C(=O)/C=C(/C)C[NH+]2CCOCC2)C1 ZINC001181838604 843627386 /nfs/dbraw/zinc/62/73/86/843627386.db2.gz FRCBYMKTAZCCIC-QKXCFHHRSA-N 2 2 295.427 0.818 20 0 CCADLP CC[N@@H+](C)[C@@H]1CCN(C(=O)/C=C(/C)C[NH+]2CCOCC2)C1 ZINC001181838604 843627387 /nfs/dbraw/zinc/62/73/87/843627387.db2.gz FRCBYMKTAZCCIC-QKXCFHHRSA-N 2 2 295.427 0.818 20 0 CCADLP C[C@H](O)C[NH2+]C[C@]1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001182996885 843946748 /nfs/dbraw/zinc/94/67/48/843946748.db2.gz KGPNKXFWPALDHE-TYNCELHUSA-N 2 2 294.399 0.407 20 0 CCADLP CC[C@H](C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1)OC ZINC001183117079 843964631 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CO[C@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192552264 845869338 /nfs/dbraw/zinc/86/93/38/845869338.db2.gz YRIBDOZZVMXEDN-YPMHNXCESA-N 2 2 280.372 0.520 20 0 CCADLP CO[C@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001193460410 846081207 /nfs/dbraw/zinc/08/12/07/846081207.db2.gz CBHIXERQSWKGEE-CHWSQXEVSA-N 2 2 294.399 0.530 20 0 CCADLP CO[C@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001193460410 846081210 /nfs/dbraw/zinc/08/12/10/846081210.db2.gz CBHIXERQSWKGEE-CHWSQXEVSA-N 2 2 294.399 0.530 20 0 CCADLP COCCC[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001193463186 846082341 /nfs/dbraw/zinc/08/23/41/846082341.db2.gz RQEDHORLXGICTB-CYBMUJFWSA-N 2 2 294.399 0.532 20 0 CCADLP COCCC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001193463186 846082350 /nfs/dbraw/zinc/08/23/50/846082350.db2.gz RQEDHORLXGICTB-CYBMUJFWSA-N 2 2 294.399 0.532 20 0 CCADLP C[N@H+](CCCF)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194449666 846291009 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CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001196826834 846807515 /nfs/dbraw/zinc/80/75/15/846807515.db2.gz KSLVZDFOLACSIB-RAIGVLPGSA-N 2 2 280.372 0.158 20 0 CCADLP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001196826834 846807521 /nfs/dbraw/zinc/80/75/21/846807521.db2.gz KSLVZDFOLACSIB-RAIGVLPGSA-N 2 2 280.372 0.158 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C/C=C\Cl)C[C@H]1O ZINC001198046830 847026100 /nfs/dbraw/zinc/02/61/00/847026100.db2.gz GJFKZURQVIGBQP-XLMCQVRKSA-N 2 2 289.807 0.242 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C/C=C\Cl)C[C@H]1O ZINC001198046830 847026109 /nfs/dbraw/zinc/02/61/09/847026109.db2.gz GJFKZURQVIGBQP-XLMCQVRKSA-N 2 2 289.807 0.242 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O ZINC001198046830 847026116 /nfs/dbraw/zinc/02/61/16/847026116.db2.gz GJFKZURQVIGBQP-XLMCQVRKSA-N 2 2 289.807 0.242 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001198046830 847026123 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C[NH+]1CCN(C(=O)C[NH2+]C[C@H]2CCC=CO2)CC1 ZINC000379991526 848216315 /nfs/dbraw/zinc/21/63/15/848216315.db2.gz URJMZHVKFAAKOP-GFCCVEGCSA-N 2 2 253.346 0.043 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH2+]C/C=C\CNC(=O)Cc2c[nH]c[nH+]2)O1 ZINC001274395042 848467143 /nfs/dbraw/zinc/46/71/43/848467143.db2.gz SLYHSRBYXGGWKS-DEOOVVBZSA-N 2 2 292.383 0.782 20 0 CCADLP CC(C)C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001274985783 848608710 /nfs/dbraw/zinc/60/87/10/848608710.db2.gz FFVGHQVHOYEEAE-LLVKDONJSA-N 2 2 252.362 0.713 20 0 CCADLP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc[nH]n1 ZINC001275205500 848665589 /nfs/dbraw/zinc/66/55/89/848665589.db2.gz RGZQPLLULFNXNR-OKILXGFUSA-N 2 2 263.389 0.620 20 0 CCADLP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc[nH]n1 ZINC001275205500 848665593 /nfs/dbraw/zinc/66/55/93/848665593.db2.gz RGZQPLLULFNXNR-OKILXGFUSA-N 2 2 263.389 0.620 20 0 CCADLP Cc1ncc(C[NH+]2CC3(CN(CC[NH+](C)C)C3)C2)cn1 ZINC001275215999 848669134 /nfs/dbraw/zinc/66/91/34/848669134.db2.gz CDTZURGKGZEASB-UHFFFAOYSA-N 2 2 275.400 0.464 20 0 CCADLP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1cncs1)C2 ZINC001276060960 848912686 /nfs/dbraw/zinc/91/26/86/848912686.db2.gz XSCKBGLWPIKUJT-UHFFFAOYSA-N 2 2 266.414 0.822 20 0 CCADLP Cc1n[nH]cc1C[NH+]1CC2(C1)CCN(CC[NH+](C)C)C2 ZINC001276068379 848914780 /nfs/dbraw/zinc/91/47/80/848914780.db2.gz OWUXXICKQYTLFT-UHFFFAOYSA-N 2 2 277.416 0.787 20 0 CCADLP Cn1ccc(C[N@H+]2[C@@H]3CC[C@H]2CN(CC[NH+](C)C)C3)n1 ZINC001276277780 848984045 /nfs/dbraw/zinc/98/40/45/848984045.db2.gz RDBYUMPAQXOAOW-GASCZTMLSA-N 2 2 277.416 0.630 20 0 CCADLP Cn1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CN(CC[NH+](C)C)C3)n1 ZINC001276277780 848984049 /nfs/dbraw/zinc/98/40/49/848984049.db2.gz RDBYUMPAQXOAOW-GASCZTMLSA-N 2 2 277.416 0.630 20 0 CCADLP c1[nH+]c2n(c1CNC[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)CCC2 ZINC000719179445 849298768 /nfs/dbraw/zinc/29/87/68/849298768.db2.gz FWJZEKKHAZBCKE-TZMCWYRMSA-N 2 2 276.384 0.782 20 0 CCADLP c1[nH+]c2n(c1CNC[C@@H]1C[N@H+]3CCC[C@@H]3CO1)CCC2 ZINC000719179445 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294.424 0.641 20 0 CCADLP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cscn3)C[C@H]21 ZINC001114780000 849393474 /nfs/dbraw/zinc/39/34/74/849393474.db2.gz CWVIPMHBINFWQO-IMRBUKKESA-N 2 2 294.424 0.641 20 0 CCADLP CCOCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC001114888492 849573018 /nfs/dbraw/zinc/57/30/18/849573018.db2.gz INWJKUVLCWLFNK-NHAGDIPZSA-N 2 2 292.383 0.425 20 0 CCADLP CCOCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC001114888492 849573023 /nfs/dbraw/zinc/57/30/23/849573023.db2.gz INWJKUVLCWLFNK-NHAGDIPZSA-N 2 2 292.383 0.425 20 0 CCADLP O=C(NC[C@@H]1CC[N@H+]1CCCF)[C@H]1CCc2[nH+]ccn2C1 ZINC001038424975 849893516 /nfs/dbraw/zinc/89/35/16/849893516.db2.gz XGIVQRSKKWVDNL-STQMWFEESA-N 2 2 294.374 0.996 20 0 CCADLP O=C(NC[C@@H]1CC[N@@H+]1CCCF)[C@H]1CCc2[nH+]ccn2C1 ZINC001038424975 849893521 /nfs/dbraw/zinc/89/35/21/849893521.db2.gz XGIVQRSKKWVDNL-STQMWFEESA-N 2 2 294.374 0.996 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+]2CC=C(C)C)C1 ZINC001039037608 850132687 /nfs/dbraw/zinc/13/26/87/850132687.db2.gz CJDGJVAEAALSRV-HUUCEWRRSA-N 2 2 295.427 0.864 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+]2CC=C(C)C)C1 ZINC001039037608 850132690 /nfs/dbraw/zinc/13/26/90/850132690.db2.gz CJDGJVAEAALSRV-HUUCEWRRSA-N 2 2 295.427 0.864 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CC=C(C)C)C1 ZINC001039037608 850132693 /nfs/dbraw/zinc/13/26/93/850132693.db2.gz CJDGJVAEAALSRV-HUUCEWRRSA-N 2 2 295.427 0.864 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@H+]2CC=C(C)C)C1 ZINC001039037608 850132695 /nfs/dbraw/zinc/13/26/95/850132695.db2.gz CJDGJVAEAALSRV-HUUCEWRRSA-N 2 2 295.427 0.864 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001042091372 850577052 /nfs/dbraw/zinc/57/70/52/850577052.db2.gz VETBKFUZXASGDD-OCCSQVGLSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001042091372 850577058 /nfs/dbraw/zinc/57/70/58/850577058.db2.gz VETBKFUZXASGDD-OCCSQVGLSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001042091372 850577068 /nfs/dbraw/zinc/57/70/68/850577068.db2.gz VETBKFUZXASGDD-OCCSQVGLSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001042091372 850577076 /nfs/dbraw/zinc/57/70/76/850577076.db2.gz VETBKFUZXASGDD-OCCSQVGLSA-N 2 2 292.383 0.257 20 0 CCADLP CC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001042249039 850602681 /nfs/dbraw/zinc/60/26/81/850602681.db2.gz FGGFQSBDYUULDU-AAEUAGOBSA-N 2 2 262.357 0.895 20 0 CCADLP CC[N@H+]1CC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001042249039 850602687 /nfs/dbraw/zinc/60/26/87/850602687.db2.gz FGGFQSBDYUULDU-AAEUAGOBSA-N 2 2 262.357 0.895 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CC[N@H+](CCO)[C@@H]2C1 ZINC001042333607 850615786 /nfs/dbraw/zinc/61/57/86/850615786.db2.gz BPUOGSNNRWBLDB-GXTWGEPZSA-N 2 2 292.383 0.176 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CC[N@@H+](CCO)[C@@H]2C1 ZINC001042333607 850615790 /nfs/dbraw/zinc/61/57/90/850615790.db2.gz BPUOGSNNRWBLDB-GXTWGEPZSA-N 2 2 292.383 0.176 20 0 CCADLP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1C[NH+](CCCF)C1 ZINC001042545360 850690446 /nfs/dbraw/zinc/69/04/46/850690446.db2.gz CHLWUHGZATUFOR-LBPRGKRZSA-N 2 2 257.353 0.583 20 0 CCADLP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1C[NH+](CCCF)C1 ZINC001042545360 850690448 /nfs/dbraw/zinc/69/04/48/850690448.db2.gz CHLWUHGZATUFOR-LBPRGKRZSA-N 2 2 257.353 0.583 20 0 CCADLP CC(C)[NH+]1CC(N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001043140815 850820018 /nfs/dbraw/zinc/82/00/18/850820018.db2.gz RAOBKUMPZNJBJN-LBPRGKRZSA-N 2 2 276.384 0.997 20 0 CCADLP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1C[NH+](CCCO)C1 ZINC001043869645 850953925 /nfs/dbraw/zinc/95/39/25/850953925.db2.gz BEBDIOCYPDVFPB-UHFFFAOYSA-N 2 2 283.416 0.243 20 0 CCADLP CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1C[NH+](CCCO)C1 ZINC001043869645 850953934 /nfs/dbraw/zinc/95/39/34/850953934.db2.gz BEBDIOCYPDVFPB-UHFFFAOYSA-N 2 2 283.416 0.243 20 0 CCADLP COC[C@@H](C)[NH+]1CC(N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001043885103 850957239 /nfs/dbraw/zinc/95/72/39/850957239.db2.gz IYBVESLXUXGHIK-CYBMUJFWSA-N 2 2 297.443 0.896 20 0 CCADLP COC[C@@H](C)[NH+]1CC(N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001043885103 850957248 /nfs/dbraw/zinc/95/72/48/850957248.db2.gz IYBVESLXUXGHIK-CYBMUJFWSA-N 2 2 297.443 0.896 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001044031443 850989491 /nfs/dbraw/zinc/98/94/91/850989491.db2.gz ZQYQCSACODJRSV-DZGCQCFKSA-N 2 2 295.427 0.792 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001044031443 850989496 /nfs/dbraw/zinc/98/94/96/850989496.db2.gz ZQYQCSACODJRSV-DZGCQCFKSA-N 2 2 295.427 0.792 20 0 CCADLP CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001045319245 851234336 /nfs/dbraw/zinc/23/43/36/851234336.db2.gz YRMFUAWGBURIGD-LSDHHAIUSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)N[C@@]2(C)CC[NH+](Cc3ccon3)C2)C1 ZINC001046835007 851624633 /nfs/dbraw/zinc/62/46/33/851624633.db2.gz ZMRJNVXBHJEGIF-WFASDCNBSA-N 2 2 292.383 0.707 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)N[C@@]2(C)CC[NH+](Cc3ccon3)C2)C1 ZINC001046835007 851624637 /nfs/dbraw/zinc/62/46/37/851624637.db2.gz ZMRJNVXBHJEGIF-WFASDCNBSA-N 2 2 292.383 0.707 20 0 CCADLP C[NH+]1CC[C@H](C(=O)N[C@@]2(C)CC[N@H+](Cc3ccon3)C2)C1 ZINC001046835007 851624642 /nfs/dbraw/zinc/62/46/42/851624642.db2.gz ZMRJNVXBHJEGIF-WFASDCNBSA-N 2 2 292.383 0.707 20 0 CCADLP C[NH+]1CC[C@H](C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccon3)C2)C1 ZINC001046835007 851624648 /nfs/dbraw/zinc/62/46/48/851624648.db2.gz ZMRJNVXBHJEGIF-WFASDCNBSA-N 2 2 292.383 0.707 20 0 CCADLP CC(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047646572 851844026 /nfs/dbraw/zinc/84/40/26/851844026.db2.gz ITDCYZCAAGZMSO-KBPBESRZSA-N 2 2 294.399 0.433 20 0 CCADLP CC(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047646572 851844034 /nfs/dbraw/zinc/84/40/34/851844034.db2.gz ITDCYZCAAGZMSO-KBPBESRZSA-N 2 2 294.399 0.433 20 0 CCADLP CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC001048001374 851882203 /nfs/dbraw/zinc/88/22/03/851882203.db2.gz SEHAPQDODYPOGY-KBPBESRZSA-N 2 2 297.443 0.944 20 0 CCADLP CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001048036936 851885566 /nfs/dbraw/zinc/88/55/66/851885566.db2.gz HBCFFXJKFXQCCB-VXGBXAGGSA-N 2 2 264.373 0.809 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001048489300 851963259 /nfs/dbraw/zinc/96/32/59/851963259.db2.gz JYUBXXZDGNBOQI-VXGBXAGGSA-N 2 2 250.346 0.587 20 0 CCADLP CC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001048448760 851957619 /nfs/dbraw/zinc/95/76/19/851957619.db2.gz BRNBMYGPQAIISF-PWSUYJOCSA-N 2 2 264.373 0.965 20 0 CCADLP COCC[N@H+]1C[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001048792241 852062100 /nfs/dbraw/zinc/06/21/00/852062100.db2.gz NOCVVQGIAILHSN-BETUJISGSA-N 2 2 292.383 0.379 20 0 CCADLP COCC[N@@H+]1C[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001048792241 852062110 /nfs/dbraw/zinc/06/21/10/852062110.db2.gz NOCVVQGIAILHSN-BETUJISGSA-N 2 2 292.383 0.379 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049934529 852399923 /nfs/dbraw/zinc/39/99/23/852399923.db2.gz XNMAMBDNSGUPDN-MJBXVCDLSA-N 2 2 292.383 0.329 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049934529 852399930 /nfs/dbraw/zinc/39/99/30/852399930.db2.gz XNMAMBDNSGUPDN-MJBXVCDLSA-N 2 2 292.383 0.329 20 0 CCADLP CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001050924046 852505421 /nfs/dbraw/zinc/50/54/21/852505421.db2.gz ZTPKKCRDRPFNKH-HZSPNIEDSA-N 2 2 283.416 0.554 20 0 CCADLP CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001050924046 852505431 /nfs/dbraw/zinc/50/54/31/852505431.db2.gz ZTPKKCRDRPFNKH-HZSPNIEDSA-N 2 2 283.416 0.554 20 0 CCADLP CCC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001050924046 852505434 /nfs/dbraw/zinc/50/54/34/852505434.db2.gz ZTPKKCRDRPFNKH-HZSPNIEDSA-N 2 2 283.416 0.554 20 0 CCADLP CCC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001050924046 852505444 /nfs/dbraw/zinc/50/54/44/852505444.db2.gz ZTPKKCRDRPFNKH-HZSPNIEDSA-N 2 2 283.416 0.554 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCO2 ZINC001053261141 852720774 /nfs/dbraw/zinc/72/07/74/852720774.db2.gz VJYPJGLDWRAERH-ZIAGYGMSSA-N 2 2 295.427 0.650 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCO2 ZINC001053261141 852720776 /nfs/dbraw/zinc/72/07/76/852720776.db2.gz VJYPJGLDWRAERH-ZIAGYGMSSA-N 2 2 295.427 0.650 20 0 CCADLP CC(C)[NH+]1CC2(C1)CN(C(=O)[C@@H](C1CC1)[NH+](C)C)CCO2 ZINC001053288247 852724309 /nfs/dbraw/zinc/72/43/09/852724309.db2.gz FDZVFFVGDUDHEZ-CQSZACIVSA-N 2 2 295.427 0.648 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)C1CC[NH+](C)CC1)CCO2 ZINC001053404873 852738232 /nfs/dbraw/zinc/73/82/32/852738232.db2.gz BCJNAFIZVQBGOE-UHFFFAOYSA-N 2 2 295.427 0.651 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)C[N@@H+]1CC[C@H](C)C1)CCO2 ZINC001053429097 852742643 /nfs/dbraw/zinc/74/26/43/852742643.db2.gz FQHXEZIPLRMEHN-AWEZNQCLSA-N 2 2 295.427 0.651 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)C[N@H+]1CC[C@H](C)C1)CCO2 ZINC001053429097 852742645 /nfs/dbraw/zinc/74/26/45/852742645.db2.gz FQHXEZIPLRMEHN-AWEZNQCLSA-N 2 2 295.427 0.651 20 0 CCADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)CO2 ZINC001053982199 852863056 /nfs/dbraw/zinc/86/30/56/852863056.db2.gz GAUQCDRIGXKTMS-CHWSQXEVSA-N 2 2 281.400 0.308 20 0 CCADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)CO2 ZINC001053982199 852863058 /nfs/dbraw/zinc/86/30/58/852863058.db2.gz GAUQCDRIGXKTMS-CHWSQXEVSA-N 2 2 281.400 0.308 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)CO2 ZINC001053982200 852863151 /nfs/dbraw/zinc/86/31/51/852863151.db2.gz GAUQCDRIGXKTMS-OLZOCXBDSA-N 2 2 281.400 0.308 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)CO2 ZINC001053982200 852863156 /nfs/dbraw/zinc/86/31/56/852863156.db2.gz GAUQCDRIGXKTMS-OLZOCXBDSA-N 2 2 281.400 0.308 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001054205466 852895592 /nfs/dbraw/zinc/89/55/92/852895592.db2.gz RXJLFGJDXYPJTO-OAHLLOKOSA-N 2 2 292.383 0.259 20 0 CCADLP CC(C)[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001050006949 853292651 /nfs/dbraw/zinc/29/26/51/853292651.db2.gz TYQLFIATCKEUHS-ZNMIVQPWSA-N 2 2 295.427 0.648 20 0 CCADLP CC(C)[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001050006949 853292659 /nfs/dbraw/zinc/29/26/59/853292659.db2.gz TYQLFIATCKEUHS-ZNMIVQPWSA-N 2 2 295.427 0.648 20 0 CCADLP CC(C)[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001050006949 853292671 /nfs/dbraw/zinc/29/26/71/853292671.db2.gz TYQLFIATCKEUHS-ZNMIVQPWSA-N 2 2 295.427 0.648 20 0 CCADLP CC(C)[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001050006949 853292680 /nfs/dbraw/zinc/29/26/80/853292680.db2.gz TYQLFIATCKEUHS-ZNMIVQPWSA-N 2 2 295.427 0.648 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCC[NH+]1CCC1CC1 ZINC001050848879 853461596 /nfs/dbraw/zinc/46/15/96/853461596.db2.gz PZYOLBGTRYIJBL-CABCVRRESA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCC[NH+]1CCC1CC1 ZINC001050848879 853461600 /nfs/dbraw/zinc/46/16/00/853461600.db2.gz PZYOLBGTRYIJBL-CABCVRRESA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1COCC[N@@H+]1CCC1CC1 ZINC001050848879 853461606 /nfs/dbraw/zinc/46/16/06/853461606.db2.gz PZYOLBGTRYIJBL-CABCVRRESA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1COCC[N@H+]1CCC1CC1 ZINC001050848879 853461608 /nfs/dbraw/zinc/46/16/08/853461608.db2.gz PZYOLBGTRYIJBL-CABCVRRESA-N 2 2 295.427 0.698 20 0 CCADLP CC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001050953545 853494098 /nfs/dbraw/zinc/49/40/98/853494098.db2.gz HIAURYOHWGXROE-GJZGRUSLSA-N 2 2 297.443 0.801 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001050953545 853494085 /nfs/dbraw/zinc/49/40/85/853494085.db2.gz HIAURYOHWGXROE-GJZGRUSLSA-N 2 2 297.443 0.801 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001050953545 853494090 /nfs/dbraw/zinc/49/40/90/853494090.db2.gz HIAURYOHWGXROE-GJZGRUSLSA-N 2 2 297.443 0.801 20 0 CCADLP CC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001050953545 853494094 /nfs/dbraw/zinc/49/40/94/853494094.db2.gz HIAURYOHWGXROE-GJZGRUSLSA-N 2 2 297.443 0.801 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C[C@@H]1CCCCO1 ZINC000384456838 853870237 /nfs/dbraw/zinc/87/02/37/853870237.db2.gz QCEFYKBHJNKCSQ-KGLIPLIRSA-N 2 2 256.390 0.944 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C[C@@H]1CCCCO1 ZINC000384456838 853870241 /nfs/dbraw/zinc/87/02/41/853870241.db2.gz QCEFYKBHJNKCSQ-KGLIPLIRSA-N 2 2 256.390 0.944 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397313799 854413117 /nfs/dbraw/zinc/41/31/17/854413117.db2.gz KPILUUBQICAWGM-XGUBFFRZSA-N 3 2 287.448 0.231 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397313799 854413118 /nfs/dbraw/zinc/41/31/18/854413118.db2.gz KPILUUBQICAWGM-XGUBFFRZSA-N 3 2 287.448 0.231 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397313799 854413122 /nfs/dbraw/zinc/41/31/22/854413122.db2.gz KPILUUBQICAWGM-XGUBFFRZSA-N 3 2 287.448 0.231 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397313799 854413125 /nfs/dbraw/zinc/41/31/25/854413125.db2.gz KPILUUBQICAWGM-XGUBFFRZSA-N 3 2 287.448 0.231 20 0 CCADLP CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001072870665 854484609 /nfs/dbraw/zinc/48/46/09/854484609.db2.gz POODJZKAGBNZPC-ZDUSSCGKSA-N 2 2 288.395 1.000 20 0 CCADLP CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001072870665 854484611 /nfs/dbraw/zinc/48/46/11/854484611.db2.gz POODJZKAGBNZPC-ZDUSSCGKSA-N 2 2 288.395 1.000 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001099872058 855012906 /nfs/dbraw/zinc/01/29/06/855012906.db2.gz ODIGFTJXXQUYGR-QWHCGFSZSA-N 2 2 280.372 0.302 20 0 CCADLP CC(C)[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001099872058 855012913 /nfs/dbraw/zinc/01/29/13/855012913.db2.gz ODIGFTJXXQUYGR-QWHCGFSZSA-N 2 2 280.372 0.302 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](O)C1 ZINC001099872058 855012916 /nfs/dbraw/zinc/01/29/16/855012916.db2.gz ODIGFTJXXQUYGR-QWHCGFSZSA-N 2 2 280.372 0.302 20 0 CCADLP CC(C)[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](O)C1 ZINC001099872058 855012923 /nfs/dbraw/zinc/01/29/23/855012923.db2.gz ODIGFTJXXQUYGR-QWHCGFSZSA-N 2 2 280.372 0.302 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC1CC([NH2+]CCF)C1 ZINC001100528452 855182564 /nfs/dbraw/zinc/18/25/64/855182564.db2.gz CCWZWGHVYRIDKW-UHFFFAOYSA-N 2 2 282.363 0.807 20 0 CCADLP C[C@@H](CC(=O)N1CCOCC1)[NH2+]CCc1[nH+]ccn1C ZINC001256334041 855247818 /nfs/dbraw/zinc/24/78/18/855247818.db2.gz BZIMBQYXXDEISP-LBPRGKRZSA-N 2 2 280.372 0.190 20 0 CCADLP C[C@@H]1C[N@H+](CCF)C[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001102031026 855409586 /nfs/dbraw/zinc/40/95/86/855409586.db2.gz OFXDMNGVBVMPCS-VXGBXAGGSA-N 2 2 282.363 0.996 20 0 CCADLP C[C@@H]1C[N@@H+](CCF)C[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001102031026 855409592 /nfs/dbraw/zinc/40/95/92/855409592.db2.gz OFXDMNGVBVMPCS-VXGBXAGGSA-N 2 2 282.363 0.996 20 0 CCADLP COCCC[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102615851 855449430 /nfs/dbraw/zinc/44/94/30/855449430.db2.gz UOLHTKWSUQSZDZ-ZIAGYGMSSA-N 2 2 294.399 0.604 20 0 CCADLP COCCC[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102615851 855449436 /nfs/dbraw/zinc/44/94/36/855449436.db2.gz UOLHTKWSUQSZDZ-ZIAGYGMSSA-N 2 2 294.399 0.604 20 0 CCADLP CN1CC[N@H+](C[C@H]2CCCC[NH2+]C2)C(C)(C)C1=O ZINC000696989113 855615733 /nfs/dbraw/zinc/61/57/33/855615733.db2.gz LLCHHIPJMWCXLZ-LBPRGKRZSA-N 2 2 253.390 0.929 20 0 CCADLP CN1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C(C)(C)C1=O ZINC000696989113 855615738 /nfs/dbraw/zinc/61/57/38/855615738.db2.gz LLCHHIPJMWCXLZ-LBPRGKRZSA-N 2 2 253.390 0.929 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001114992205 855633712 /nfs/dbraw/zinc/63/37/12/855633712.db2.gz QODIGCHSXKPODO-NHAGDIPZSA-N 2 2 292.383 0.563 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001114992205 855633714 /nfs/dbraw/zinc/63/37/14/855633714.db2.gz QODIGCHSXKPODO-NHAGDIPZSA-N 2 2 292.383 0.563 20 0 CCADLP CC(C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]cn1C ZINC001115187911 855651555 /nfs/dbraw/zinc/65/15/55/855651555.db2.gz GKOUELABIXAFGS-NHAGDIPZSA-N 2 2 276.384 0.808 20 0 CCADLP CC(C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]cn1C ZINC001115187911 855651561 /nfs/dbraw/zinc/65/15/61/855651561.db2.gz GKOUELABIXAFGS-NHAGDIPZSA-N 2 2 276.384 0.808 20 0 CCADLP Cc1nc(N[C@@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001115739756 855693498 /nfs/dbraw/zinc/69/34/98/855693498.db2.gz LYNIEXGBMDMKNF-WCQYABFASA-N 2 2 291.399 0.996 20 0 CCADLP Cc1nc(N[C@@H](C)CN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001115739756 855693502 /nfs/dbraw/zinc/69/35/02/855693502.db2.gz LYNIEXGBMDMKNF-WCQYABFASA-N 2 2 291.399 0.996 20 0 CCADLP C[C@H](C(=O)NCC[NH+]1CC=CC1)[NH+]1CCSCC1 ZINC001116355311 855750810 /nfs/dbraw/zinc/75/08/10/855750810.db2.gz MNKHQGKAEKOBFH-GFCCVEGCSA-N 2 2 269.414 0.412 20 0 CCADLP CC(C)([NH2+]CC(=O)N1CC[NH2+]CC1)c1nccs1 ZINC001118288542 856245403 /nfs/dbraw/zinc/24/54/03/856245403.db2.gz CJEGUTWTDKYSFY-UHFFFAOYSA-N 2 2 268.386 0.400 20 0 CCADLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@H](O)C[C@](C)(O)C2CC2)C1 ZINC001120496927 857093518 /nfs/dbraw/zinc/09/35/18/857093518.db2.gz NLJGIHGTFJJYSS-YUELXQCFSA-N 2 2 270.417 0.830 20 0 CCADLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@H](O)C[C@](C)(O)C2CC2)C1 ZINC001120496927 857093514 /nfs/dbraw/zinc/09/35/14/857093514.db2.gz NLJGIHGTFJJYSS-YUELXQCFSA-N 2 2 270.417 0.830 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCC2([NH2+]C[C@H](C)O)CC2)c[nH+]1 ZINC001392921545 912265417 /nfs/dbraw/zinc/26/54/17/912265417.db2.gz XTQQYDKBKUKLSI-LBPRGKRZSA-N 2 2 294.399 0.546 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1([NH2+]CC[C@H]2CCCO2)CC1 ZINC001392961294 912288348 /nfs/dbraw/zinc/28/83/48/912288348.db2.gz CABBUGMHWVZWDU-CYBMUJFWSA-N 2 2 292.383 0.691 20 0 CCADLP C[C@H]([NH2+]CCO)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001393375105 912538788 /nfs/dbraw/zinc/53/87/88/912538788.db2.gz DTQONKFXJSKNFB-NWDGAFQWSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@H]([NH2+]CCO)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001393375105 912538803 /nfs/dbraw/zinc/53/88/03/912538803.db2.gz DTQONKFXJSKNFB-NWDGAFQWSA-N 2 2 280.372 0.161 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NCC1([NH2+]CCO)CCC1 ZINC001393550038 912642139 /nfs/dbraw/zinc/64/21/39/912642139.db2.gz XEADFKMFLGSBFJ-UHFFFAOYSA-N 2 2 293.367 0.254 20 0 CCADLP Cn1cc([C@@H]2CN(Cc3c[nH+]cn3C)C[C@H]2[NH3+])cn1 ZINC001325814462 913584361 /nfs/dbraw/zinc/58/43/61/913584361.db2.gz RVSSMGVUEYXTCJ-QWHCGFSZSA-N 2 2 260.345 0.080 20 0 CCADLP Cc1noc([C@H](C)[NH2+][C@@H](C)CNC(=O)CCC[NH+](C)C)n1 ZINC001418265781 891781935 /nfs/dbraw/zinc/78/19/35/891781935.db2.gz MXLBCLVKZHKVJK-QWRGUYRKSA-N 2 2 297.403 0.875 20 0 CCADLP CCOCC[NH2+]CCN(C)C(=O)Cc1c[nH+]cn1C ZINC001267456501 891914842 /nfs/dbraw/zinc/91/48/42/891914842.db2.gz ZQLBEBDMQCQYOZ-UHFFFAOYSA-N 2 2 268.361 0.047 20 0 CCADLP CC(C)CC[N@H+](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001480953779 891945994 /nfs/dbraw/zinc/94/59/94/891945994.db2.gz NAZIIMYYZPXBKM-UHFFFAOYSA-N 2 2 252.362 0.977 20 0 CCADLP CC(C)CC[N@@H+](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001480953779 891946009 /nfs/dbraw/zinc/94/60/09/891946009.db2.gz NAZIIMYYZPXBKM-UHFFFAOYSA-N 2 2 252.362 0.977 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001481050367 892114430 /nfs/dbraw/zinc/11/44/30/892114430.db2.gz ODJMDDLLNXWUGU-OLZOCXBDSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@@H](O)C[N@H+]1CCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001481050367 892114443 /nfs/dbraw/zinc/11/44/43/892114443.db2.gz ODJMDDLLNXWUGU-OLZOCXBDSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@H](CC(=O)NC[C@H]1CCC[N@@H+]1CCO)n1cc[nH+]c1 ZINC001481059227 892119151 /nfs/dbraw/zinc/11/91/51/892119151.db2.gz MQUAWUFNYJKFGI-CHWSQXEVSA-N 2 2 280.372 0.407 20 0 CCADLP C[C@H](CC(=O)NC[C@H]1CCC[N@H+]1CCO)n1cc[nH+]c1 ZINC001481059227 892119153 /nfs/dbraw/zinc/11/91/53/892119153.db2.gz MQUAWUFNYJKFGI-CHWSQXEVSA-N 2 2 280.372 0.407 20 0 CCADLP CC(C)[N@H+](CCNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001481194025 892290404 /nfs/dbraw/zinc/29/04/04/892290404.db2.gz AKWHJKVLTDLFKP-UHFFFAOYSA-N 2 2 264.373 0.952 20 0 CCADLP CC(C)[N@@H+](CCNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001481194025 892290422 /nfs/dbraw/zinc/29/04/22/892290422.db2.gz AKWHJKVLTDLFKP-UHFFFAOYSA-N 2 2 264.373 0.952 20 0 CCADLP CN(CC[NH2+]CC1CCOCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001481284953 892522666 /nfs/dbraw/zinc/52/26/66/892522666.db2.gz NCNSASVGNQKHPR-UHFFFAOYSA-N 2 2 280.372 0.427 20 0 CCADLP COC[C@@H](C)[NH2+]CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001481304390 892554071 /nfs/dbraw/zinc/55/40/71/892554071.db2.gz RWBFWDHDYCVBGA-LLVKDONJSA-N 2 2 282.388 0.770 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1CC[N@H+](CCO)C1 ZINC001481458085 892686625 /nfs/dbraw/zinc/68/66/25/892686625.db2.gz QVLJNWFSQHNQTO-GFCCVEGCSA-N 2 2 280.372 0.081 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1CC[N@@H+](CCO)C1 ZINC001481458085 892686633 /nfs/dbraw/zinc/68/66/33/892686633.db2.gz QVLJNWFSQHNQTO-GFCCVEGCSA-N 2 2 280.372 0.081 20 0 CCADLP C[N@H+](CCCO)C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001481497441 892746586 /nfs/dbraw/zinc/74/65/86/892746586.db2.gz XGLMRTJWBTZBTO-AWEZNQCLSA-N 2 2 294.399 0.436 20 0 CCADLP C[N@@H+](CCCO)C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001481497441 892746594 /nfs/dbraw/zinc/74/65/94/892746594.db2.gz XGLMRTJWBTZBTO-AWEZNQCLSA-N 2 2 294.399 0.436 20 0 CCADLP CC[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]C[C@@H]1CCOC1 ZINC001481818084 893181283 /nfs/dbraw/zinc/18/12/83/893181283.db2.gz FAWLWHDTFAGMQR-QWHCGFSZSA-N 2 2 294.399 0.863 20 0 CCADLP CC[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]C[C@@H]1CCOC1 ZINC001481818084 893181296 /nfs/dbraw/zinc/18/12/96/893181296.db2.gz FAWLWHDTFAGMQR-QWHCGFSZSA-N 2 2 294.399 0.863 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC001362040662 893499138 /nfs/dbraw/zinc/49/91/38/893499138.db2.gz NQDNMFRWGLTXNC-UONOGXRCSA-N 2 2 282.432 0.080 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC001362040662 893499145 /nfs/dbraw/zinc/49/91/45/893499145.db2.gz NQDNMFRWGLTXNC-UONOGXRCSA-N 2 2 282.432 0.080 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]CCCO)C(C)(C)C1 ZINC001284349700 893512600 /nfs/dbraw/zinc/51/26/00/893512600.db2.gz ZRWGERQDQZRNJQ-ZDUSSCGKSA-N 2 2 294.399 0.470 20 0 CCADLP Cc1ncc(C[NH2+]CC[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)o1 ZINC001482871778 894662687 /nfs/dbraw/zinc/66/26/87/894662687.db2.gz AIVDBSINMRGSIR-JTQLQIEISA-N 2 2 291.355 0.933 20 0 CCADLP CO[C@H](C)C[NH2+]CC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001482886122 894665055 /nfs/dbraw/zinc/66/50/55/894665055.db2.gz REGNVUOMVGDFIN-WDEREUQCSA-N 2 2 268.361 0.472 20 0 CCADLP C[C@@H]([NH2+]Cc1csnn1)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001409442990 895185140 /nfs/dbraw/zinc/18/51/40/895185140.db2.gz CEUSNOOLSXPOMS-MNOVXSKESA-N 2 2 297.428 0.617 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@@H+](C)C(C)C)[nH]1 ZINC001409454865 895187553 /nfs/dbraw/zinc/18/75/53/895187553.db2.gz FRWFNGUNHSZSEZ-MNOVXSKESA-N 2 2 296.419 0.436 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)C(C)C)[nH]1 ZINC001409454865 895187568 /nfs/dbraw/zinc/18/75/68/895187568.db2.gz FRWFNGUNHSZSEZ-MNOVXSKESA-N 2 2 296.419 0.436 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cnon1 ZINC001409475292 895196875 /nfs/dbraw/zinc/19/68/75/895196875.db2.gz RRHNZZBNOOYBNM-UWVGGRQHSA-N 2 2 292.343 0.258 20 0 CCADLP C[C@@H]([NH2+]Cc1cnns1)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001409481244 895202389 /nfs/dbraw/zinc/20/23/89/895202389.db2.gz XJOCKXYGCQAIKS-ZJUUUORDSA-N 2 2 294.384 0.418 20 0 CCADLP C[C@@H](C(=O)N1CC[NH2+]C[C@H]1C(F)F)n1cc[nH+]c1 ZINC001326421843 913945989 /nfs/dbraw/zinc/94/59/89/913945989.db2.gz XQCDNTSUEPQEOT-IUCAKERBSA-N 2 2 258.272 0.510 20 0 CCADLP CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001483242518 895370122 /nfs/dbraw/zinc/37/01/22/895370122.db2.gz LXTVIPYDSFXXCW-QWRGUYRKSA-N 2 2 250.346 0.560 20 0 CCADLP CC[C@H](C(=O)NCC[N@@H+](C)Cc1cncn1C)[NH+](C)C ZINC001399498901 915201143 /nfs/dbraw/zinc/20/11/43/915201143.db2.gz GNMOLJDVMVGNJJ-CYBMUJFWSA-N 2 2 281.404 0.308 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H](C[NH2+]CCF)C1CC1 ZINC001483588037 895667223 /nfs/dbraw/zinc/66/72/23/895667223.db2.gz AXRXJIQSWKTIPB-JHJVBQTASA-N 2 2 294.374 0.978 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[NH+](CCCCCO)CC1 ZINC000913691566 895932975 /nfs/dbraw/zinc/93/29/75/895932975.db2.gz BUYBSOWLZWFJPC-UHFFFAOYSA-N 2 2 280.372 0.190 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001326582111 914031807 /nfs/dbraw/zinc/03/18/07/914031807.db2.gz KPERTMITIFOUSC-VXGBXAGGSA-N 2 2 260.403 0.353 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001326582111 914031823 /nfs/dbraw/zinc/03/18/23/914031823.db2.gz KPERTMITIFOUSC-VXGBXAGGSA-N 2 2 260.403 0.353 20 0 CCADLP CN(C(=O)CC[NH+](C)C)C1C[NH+](CCOCC2CC2)C1 ZINC001483877317 896100546 /nfs/dbraw/zinc/10/05/46/896100546.db2.gz PHFBITBZZGBKTI-UHFFFAOYSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CCCC1 ZINC001484008489 896148912 /nfs/dbraw/zinc/14/89/12/896148912.db2.gz QSEQAESVJHXPON-FZMZJTMJSA-N 2 2 294.399 0.598 20 0 CCADLP CC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCOCC1 ZINC001484192550 896227372 /nfs/dbraw/zinc/22/73/72/896227372.db2.gz ONSHWOXTXPUMLP-UHFFFAOYSA-N 2 2 266.345 0.158 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC001326675770 914094321 /nfs/dbraw/zinc/09/43/21/914094321.db2.gz QFVZJSGLTJAMGV-LLVKDONJSA-N 2 2 262.357 0.563 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC001326675770 914094339 /nfs/dbraw/zinc/09/43/39/914094339.db2.gz QFVZJSGLTJAMGV-LLVKDONJSA-N 2 2 262.357 0.563 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCS(=O)(=O)C2)C1 ZINC000715489008 897672273 /nfs/dbraw/zinc/67/22/73/897672273.db2.gz AXAATYAGVARQPJ-QJPTWQEYSA-N 2 2 260.403 0.636 20 0 CCADLP CO[C@@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1 ZINC001032550044 897732146 /nfs/dbraw/zinc/73/21/46/897732146.db2.gz AINBBTZDFUTMOE-IHRRRGAJSA-N 2 2 292.383 0.593 20 0 CCADLP CO[C@@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1 ZINC001032550044 897732156 /nfs/dbraw/zinc/73/21/56/897732156.db2.gz AINBBTZDFUTMOE-IHRRRGAJSA-N 2 2 292.383 0.593 20 0 CCADLP COC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1 ZINC001032550575 897736947 /nfs/dbraw/zinc/73/69/47/897736947.db2.gz YCHIHAIAWPQOON-IHRRRGAJSA-N 2 2 292.383 0.593 20 0 CCADLP COC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1 ZINC001032550575 897736957 /nfs/dbraw/zinc/73/69/57/897736957.db2.gz YCHIHAIAWPQOON-IHRRRGAJSA-N 2 2 292.383 0.593 20 0 CCADLP C[NH+](C)Cc1ccoc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032592258 897788718 /nfs/dbraw/zinc/78/87/18/897788718.db2.gz MQPQUABMVWQIMP-STQMWFEESA-N 2 2 293.367 0.232 20 0 CCADLP C[NH+](C)Cc1ccoc1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032592258 897788730 /nfs/dbraw/zinc/78/87/30/897788730.db2.gz MQPQUABMVWQIMP-STQMWFEESA-N 2 2 293.367 0.232 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H]1CCOC1 ZINC001032651794 897900025 /nfs/dbraw/zinc/90/00/25/897900025.db2.gz GCKPGWZEJUHGNP-UBHSHLNASA-N 2 2 290.367 0.274 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CCOC1 ZINC001032651794 897900033 /nfs/dbraw/zinc/90/00/33/897900033.db2.gz GCKPGWZEJUHGNP-UBHSHLNASA-N 2 2 290.367 0.274 20 0 CCADLP C[C@@H](F)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]cn1C ZINC001032733151 898029906 /nfs/dbraw/zinc/02/99/06/898029906.db2.gz MDJAHTVGLOIWOC-XBFCOCLRSA-N 2 2 294.374 0.996 20 0 CCADLP C[C@@H](F)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]cn1C ZINC001032733151 898029913 /nfs/dbraw/zinc/02/99/13/898029913.db2.gz MDJAHTVGLOIWOC-XBFCOCLRSA-N 2 2 294.374 0.996 20 0 CCADLP C[C@@H]1[C@@H]([NH2+]CCCF)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001486091553 898649750 /nfs/dbraw/zinc/64/97/50/898649750.db2.gz URNDRFMEUHXIJC-MNOVXSKESA-N 2 2 268.336 0.891 20 0 CCADLP CC(C)=CC[NH2+]C[C@@H](O)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001486293355 898761737 /nfs/dbraw/zinc/76/17/37/898761737.db2.gz VMLNAWWXLYYEIX-CQSZACIVSA-N 2 2 294.399 0.648 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](CO)[NH2+]Cc1ccccc1 ZINC001410755106 899563877 /nfs/dbraw/zinc/56/38/77/899563877.db2.gz IMDMUUSUNGSAAV-CYBMUJFWSA-N 2 2 288.351 0.219 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]Cc1cncs1 ZINC001134397875 899834423 /nfs/dbraw/zinc/83/44/23/899834423.db2.gz XDBJFUODMKHNHT-UHFFFAOYSA-N 2 2 265.342 0.315 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001488869779 900398240 /nfs/dbraw/zinc/39/82/40/900398240.db2.gz OFRFJGJXDXNABY-IJLUTSLNSA-N 2 2 280.372 0.472 20 0 CCADLP CO[C@H](C)C[NH2+]C/C=C\CNC(=O)Cn1cc[nH+]c1 ZINC001274632418 900938024 /nfs/dbraw/zinc/93/80/24/900938024.db2.gz UHKRTDIWLUNVIN-VSQXVHSFSA-N 2 2 266.345 0.180 20 0 CCADLP CCC[N@H+]1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001275108119 900994526 /nfs/dbraw/zinc/99/45/26/900994526.db2.gz LFMYYBHHIZUHCX-KGLIPLIRSA-N 2 2 264.373 0.678 20 0 CCADLP CCC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001275108119 900994536 /nfs/dbraw/zinc/99/45/36/900994536.db2.gz LFMYYBHHIZUHCX-KGLIPLIRSA-N 2 2 264.373 0.678 20 0 CCADLP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nncs1 ZINC001442004132 901041492 /nfs/dbraw/zinc/04/14/92/901041492.db2.gz CXHCQKYCCYQXPI-MNOVXSKESA-N 2 2 297.428 0.474 20 0 CCADLP C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1nncs1 ZINC001442004132 901041501 /nfs/dbraw/zinc/04/15/01/901041501.db2.gz CXHCQKYCCYQXPI-MNOVXSKESA-N 2 2 297.428 0.474 20 0 CCADLP C[NH2+][C@@H](C)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001327569730 914625595 /nfs/dbraw/zinc/62/55/95/914625595.db2.gz KFOIGAFJYJMGOM-RYUDHWBXSA-N 2 2 264.373 0.809 20 0 CCADLP CC[NH2+]CC1(NC(=O)Cc2[nH]cc[nH+]2)CCOCC1 ZINC001327668863 914694248 /nfs/dbraw/zinc/69/42/48/914694248.db2.gz BZNLHLQZWYBHNB-UHFFFAOYSA-N 2 2 266.345 0.227 20 0 CCADLP CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001150426470 903760210 /nfs/dbraw/zinc/76/02/10/903760210.db2.gz VFMONONQZNCKCA-GXTWGEPZSA-N 2 2 294.399 0.815 20 0 CCADLP CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001150426470 903760219 /nfs/dbraw/zinc/76/02/19/903760219.db2.gz VFMONONQZNCKCA-GXTWGEPZSA-N 2 2 294.399 0.815 20 0 CCADLP CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001150426470 903760228 /nfs/dbraw/zinc/76/02/28/903760228.db2.gz VFMONONQZNCKCA-GXTWGEPZSA-N 2 2 294.399 0.815 20 0 CCADLP CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001150426470 903760231 /nfs/dbraw/zinc/76/02/31/903760231.db2.gz VFMONONQZNCKCA-GXTWGEPZSA-N 2 2 294.399 0.815 20 0 CCADLP Cc1c([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cnn1C ZINC000305841582 903851428 /nfs/dbraw/zinc/85/14/28/903851428.db2.gz RGQJJEBZJZNHQW-WCQYABFASA-N 2 2 266.389 0.836 20 0 CCADLP COCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC001332044364 904045066 /nfs/dbraw/zinc/04/50/66/904045066.db2.gz BHIYMZXQOUAOTH-VXGBXAGGSA-N 2 2 280.372 0.188 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC1(C[NH2+]CCCF)CCOCC1 ZINC001281284636 904256695 /nfs/dbraw/zinc/25/66/95/904256695.db2.gz GJBKCFQDBXEBDB-UHFFFAOYSA-N 2 2 298.362 0.498 20 0 CCADLP CCC[NH2+]C[C@H](O)CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001332527788 904348850 /nfs/dbraw/zinc/34/88/50/904348850.db2.gz DWKVCWVVKNUTQZ-ZDUSSCGKSA-N 2 2 296.415 0.746 20 0 CCADLP COCC[NH2+][C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001327887489 914837125 /nfs/dbraw/zinc/83/71/25/914837125.db2.gz XMEBECKFXFKOGE-OLZOCXBDSA-N 2 2 280.372 0.356 20 0 CCADLP C[C@H](F)CC[N@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001377309788 904772754 /nfs/dbraw/zinc/77/27/54/904772754.db2.gz ZCKUPLFFPIAOEL-NSHDSACASA-N 2 2 270.352 0.759 20 0 CCADLP C[C@H](F)CC[N@@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001377309788 904772765 /nfs/dbraw/zinc/77/27/65/904772765.db2.gz ZCKUPLFFPIAOEL-NSHDSACASA-N 2 2 270.352 0.759 20 0 CCADLP CC[N@H+](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)CCOC ZINC001377315559 904781458 /nfs/dbraw/zinc/78/14/58/904781458.db2.gz CAAMMWNHTBOVTR-ZDUSSCGKSA-N 2 2 294.399 0.530 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)CCOC ZINC001377315559 904781468 /nfs/dbraw/zinc/78/14/68/904781468.db2.gz CAAMMWNHTBOVTR-ZDUSSCGKSA-N 2 2 294.399 0.530 20 0 CCADLP COCCC[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001283701667 904968496 /nfs/dbraw/zinc/96/84/96/904968496.db2.gz DWFAHSONAHXVND-GFCCVEGCSA-N 2 2 282.388 0.436 20 0 CCADLP CC[NH+]1CCC(CO)(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001377572478 905002922 /nfs/dbraw/zinc/00/29/22/905002922.db2.gz GTTLVKIKNWMZGJ-LBPRGKRZSA-N 2 2 294.399 0.551 20 0 CCADLP CC[NH+]1CCC(CO)(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001377572478 905002939 /nfs/dbraw/zinc/00/29/39/905002939.db2.gz GTTLVKIKNWMZGJ-LBPRGKRZSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCCO)CN1C(=O)CCc1[nH+]ccn1C ZINC001283997965 905110549 /nfs/dbraw/zinc/11/05/49/905110549.db2.gz FKFMDMHSJILWKN-QWHCGFSZSA-N 2 2 294.399 0.314 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001377947828 905266884 /nfs/dbraw/zinc/26/68/84/905266884.db2.gz AIABOMPNCRVUQW-GFCCVEGCSA-N 2 2 285.432 0.800 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001377947828 905266887 /nfs/dbraw/zinc/26/68/87/905266887.db2.gz AIABOMPNCRVUQW-GFCCVEGCSA-N 2 2 285.432 0.800 20 0 CCADLP Cc1ncc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC[NH+](C)C)o1 ZINC001378043648 905371149 /nfs/dbraw/zinc/37/11/49/905371149.db2.gz QLLGTQZSEGGNCC-STQMWFEESA-N 2 2 292.383 0.720 20 0 CCADLP Cc1ncc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC[NH+](C)C)o1 ZINC001378043648 905371165 /nfs/dbraw/zinc/37/11/65/905371165.db2.gz QLLGTQZSEGGNCC-STQMWFEESA-N 2 2 292.383 0.720 20 0 CCADLP CC(C)OC[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC001337017073 921155617 /nfs/dbraw/zinc/15/56/17/921155617.db2.gz ULPFBXLUPPXGPO-NSHDSACASA-N 2 2 257.378 0.291 20 0 CCADLP CC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc1nc(C)no1)[NH+](C)C ZINC001378263822 905546968 /nfs/dbraw/zinc/54/69/68/905546968.db2.gz QGPNWKDVXKZJRR-NWDGAFQWSA-N 2 2 297.403 0.703 20 0 CCADLP CC(C)OCC[NH2+][C@H]1C[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001316639314 905644370 /nfs/dbraw/zinc/64/43/70/905644370.db2.gz KZZNICCFOOOOKT-JOCQHMNTSA-N 2 2 294.399 0.862 20 0 CCADLP CC[C@@H](C)C[N@@H+]1CCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001378666030 905742848 /nfs/dbraw/zinc/74/28/48/905742848.db2.gz FSMGCSAIRUZBGA-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP CC[C@@H](C)C[N@H+]1CCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001378666030 905742852 /nfs/dbraw/zinc/74/28/52/905742852.db2.gz FSMGCSAIRUZBGA-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP CC1(C)C[N@H+](CCO)C[C@@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001378672624 905749805 /nfs/dbraw/zinc/74/98/05/905749805.db2.gz AWDOPDLBOWCCOB-ZDUSSCGKSA-N 2 2 294.399 0.482 20 0 CCADLP CC1(C)C[N@@H+](CCO)C[C@@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001378672624 905749821 /nfs/dbraw/zinc/74/98/21/905749821.db2.gz AWDOPDLBOWCCOB-ZDUSSCGKSA-N 2 2 294.399 0.482 20 0 CCADLP COCC[N@H+](C)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001378935616 905891251 /nfs/dbraw/zinc/89/12/51/905891251.db2.gz VBFFVAHCKRUISC-UHFFFAOYSA-N 2 2 294.399 0.532 20 0 CCADLP COCC[N@@H+](C)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001378935616 905891263 /nfs/dbraw/zinc/89/12/63/905891263.db2.gz VBFFVAHCKRUISC-UHFFFAOYSA-N 2 2 294.399 0.532 20 0 CCADLP CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1cnon1)[NH+](C)C ZINC001379137917 906012666 /nfs/dbraw/zinc/01/26/66/906012666.db2.gz QKHUIJMTPTZWBT-AAEUAGOBSA-N 2 2 297.403 0.592 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N(C)C[C@H](C)[NH2+]C[C@@H](C)O)c[nH+]1 ZINC001379253381 906094114 /nfs/dbraw/zinc/09/41/14/906094114.db2.gz SKQYUUAPWYPJOD-WCQYABFASA-N 2 2 296.415 0.744 20 0 CCADLP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1csnn1)[NH+](C)C ZINC001379263458 906101982 /nfs/dbraw/zinc/10/19/82/906101982.db2.gz ZDOHQJFPHBWEQH-CMPLNLGQSA-N 2 2 299.444 0.815 20 0 CCADLP CC[C@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)c1nnc(C)[nH]1)[NH+](C)C ZINC001379381043 906201672 /nfs/dbraw/zinc/20/16/72/906201672.db2.gz DAPAHXWJZAAKPJ-JFGNBEQYSA-N 2 2 296.419 0.609 20 0 CCADLP C[C@@H](C[N@H+](C)CCCO)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001379701592 906438036 /nfs/dbraw/zinc/43/80/36/906438036.db2.gz VFLBDNKYQZUGQN-QWHCGFSZSA-N 2 2 294.399 0.264 20 0 CCADLP C[C@@H](C[N@@H+](C)CCCO)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001379701592 906438045 /nfs/dbraw/zinc/43/80/45/906438045.db2.gz VFLBDNKYQZUGQN-QWHCGFSZSA-N 2 2 294.399 0.264 20 0 CCADLP COCC[C@@H]([NH3+])c1nc([C@H]2C[NH+]3CCC2CC3)no1 ZINC001334856223 906461067 /nfs/dbraw/zinc/46/10/67/906461067.db2.gz CLUPBIQUMRPDLH-WDEREUQCSA-N 2 2 266.345 0.915 20 0 CCADLP Cc1conc1C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001380069270 906621143 /nfs/dbraw/zinc/62/11/43/906621143.db2.gz SNYAFLVSZYGFPU-ZDUSSCGKSA-N 2 2 292.383 0.816 20 0 CCADLP Cc1conc1C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001380069270 906621158 /nfs/dbraw/zinc/62/11/58/906621158.db2.gz SNYAFLVSZYGFPU-ZDUSSCGKSA-N 2 2 292.383 0.816 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001380281390 906712642 /nfs/dbraw/zinc/71/26/42/906712642.db2.gz DIHVTBCZKSHICU-YPMHNXCESA-N 2 2 294.399 0.876 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)NCCn2cc[nH+]c2)C1 ZINC001337841020 921298440 /nfs/dbraw/zinc/29/84/40/921298440.db2.gz WXQSPXWYEBIWQJ-GHMZBOCLSA-N 2 2 251.334 0.452 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC001337930226 921303849 /nfs/dbraw/zinc/30/38/49/921303849.db2.gz RLDWARDNDPVREB-GHMZBOCLSA-N 2 2 265.361 0.532 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NCc1cc(N)cc[nH+]1 ZINC001337930603 921303889 /nfs/dbraw/zinc/30/38/89/921303889.db2.gz YJTHPXALILZDIU-UHFFFAOYSA-N 2 2 260.301 0.397 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001382041549 907504012 /nfs/dbraw/zinc/50/40/12/907504012.db2.gz PDXZIQKGZJVQCV-JSGCOSHPSA-N 2 2 294.399 0.745 20 0 CCADLP CN(C(=O)NCc1c[nH+]cn1C)C1CCC([NH3+])CC1 ZINC001337994165 921331622 /nfs/dbraw/zinc/33/16/22/921331622.db2.gz SNWNWFQKYHKQEK-UHFFFAOYSA-N 2 2 265.361 0.831 20 0 CCADLP C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CCF ZINC001382124491 907560094 /nfs/dbraw/zinc/56/00/94/907560094.db2.gz BGGLAYPPNIBDIM-QJPTWQEYSA-N 2 2 282.363 0.930 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](C[NH2+]CCCF)C1 ZINC001491844086 907601902 /nfs/dbraw/zinc/60/19/02/907601902.db2.gz OBGSGKUPWSEGOK-NSHDSACASA-N 2 2 268.336 0.750 20 0 CCADLP C[C@@H](O)CCC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001491858892 907607906 /nfs/dbraw/zinc/60/79/06/907607906.db2.gz MDOSXXDMDMLCDC-KGLIPLIRSA-N 2 2 294.399 0.482 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1CCC[C@H]([NH2+]CCO)C1 ZINC001491895365 907626754 /nfs/dbraw/zinc/62/67/54/907626754.db2.gz GAALKQROSODYLV-UONOGXRCSA-N 2 2 294.399 0.673 20 0 CCADLP CCOCC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001491861746 907639221 /nfs/dbraw/zinc/63/92/21/907639221.db2.gz RMGGQOQVNYGESI-ZDUSSCGKSA-N 2 2 280.372 0.358 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@H](CO)[NH2+]C/C=C/Cl ZINC001382244752 907639483 /nfs/dbraw/zinc/63/94/83/907639483.db2.gz YPDPGSBRTHFOIB-JHSHHRBUSA-N 2 2 286.763 0.092 20 0 CCADLP Cc1ncoc1C[NH2+][C@H](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001492133163 907735444 /nfs/dbraw/zinc/73/54/44/907735444.db2.gz PUTKBSSKBCOZKE-LLVKDONJSA-N 2 2 291.355 0.864 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)[C@H](C)C(N)=O ZINC001492315345 907845792 /nfs/dbraw/zinc/84/57/92/907845792.db2.gz CIIHVFPTNMRWRD-CHWSQXEVSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)[C@H](C)C(N)=O ZINC001492315345 907845801 /nfs/dbraw/zinc/84/58/01/907845801.db2.gz CIIHVFPTNMRWRD-CHWSQXEVSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)[C@H](C)C(N)=O ZINC001492315345 907845813 /nfs/dbraw/zinc/84/58/13/907845813.db2.gz CIIHVFPTNMRWRD-CHWSQXEVSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)[C@H](C)C(N)=O ZINC001492315345 907845831 /nfs/dbraw/zinc/84/58/31/907845831.db2.gz CIIHVFPTNMRWRD-CHWSQXEVSA-N 2 2 298.431 0.029 20 0 CCADLP C[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)CC[C@H]1CCCCO1 ZINC001492435536 907923769 /nfs/dbraw/zinc/92/37/69/907923769.db2.gz RPKHLWOYFVKEON-CQSZACIVSA-N 2 2 294.399 0.959 20 0 CCADLP C[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)CC[C@H]1CCCCO1 ZINC001492435536 907923778 /nfs/dbraw/zinc/92/37/78/907923778.db2.gz RPKHLWOYFVKEON-CQSZACIVSA-N 2 2 294.399 0.959 20 0 CCADLP CC[NH+](CC)CC(=O)NCc1c[nH+]c2n1CCC2 ZINC001303551165 908092471 /nfs/dbraw/zinc/09/24/71/908092471.db2.gz MAQRZPZDESJICA-UHFFFAOYSA-N 2 2 250.346 0.787 20 0 CCADLP C[C@@H]1NC(=O)N(CC[NH+]2CCC(n3cc[nH+]c3)CC2)C1=O ZINC001307509276 908318240 /nfs/dbraw/zinc/31/82/40/908318240.db2.gz FLKZXYLXNMYCSE-NSHDSACASA-N 2 2 291.355 0.460 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC001340181828 908510096 /nfs/dbraw/zinc/51/00/96/908510096.db2.gz KHKSENQHDVQVNI-MXWKQRLJSA-N 2 2 250.346 0.832 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC001340181828 908510112 /nfs/dbraw/zinc/51/01/12/908510112.db2.gz KHKSENQHDVQVNI-MXWKQRLJSA-N 2 2 250.346 0.832 20 0 CCADLP C[N@H+](CCNC(=O)NCc1ccc[nH+]c1N)C1CC1 ZINC001311982946 908578493 /nfs/dbraw/zinc/57/84/93/908578493.db2.gz UGHCNFDFUKZBJO-UHFFFAOYSA-N 2 2 263.345 0.557 20 0 CCADLP C[N@@H+](CCNC(=O)NCc1ccc[nH+]c1N)C1CC1 ZINC001311982946 908578499 /nfs/dbraw/zinc/57/84/99/908578499.db2.gz UGHCNFDFUKZBJO-UHFFFAOYSA-N 2 2 263.345 0.557 20 0 CCADLP C[C@@H](C(=O)N[C@H]1[C@H](C)CC[NH2+][C@@H]1C)n1cc[nH+]c1 ZINC001328594475 908694238 /nfs/dbraw/zinc/69/42/38/908694238.db2.gz VZAXJJUQOFMHNJ-WYUUTHIRSA-N 2 2 250.346 0.947 20 0 CCADLP C[C@H](C(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C)n1cc[nH+]c1 ZINC001329308998 908751102 /nfs/dbraw/zinc/75/11/02/908751102.db2.gz MOFPJIGISWAWER-IJLUTSLNSA-N 2 2 250.346 0.995 20 0 CCADLP Cc1nnc(C[N@@H+](C)CCCNC(=O)CC[NH+](C)C)o1 ZINC001316845621 908805474 /nfs/dbraw/zinc/80/54/74/908805474.db2.gz MAGQSVFAEFVJAQ-UHFFFAOYSA-N 2 2 283.376 0.268 20 0 CCADLP Cc1nnc(C[N@H+](C)CCCNC(=O)CC[NH+](C)C)o1 ZINC001316845621 908805485 /nfs/dbraw/zinc/80/54/85/908805485.db2.gz MAGQSVFAEFVJAQ-UHFFFAOYSA-N 2 2 283.376 0.268 20 0 CCADLP COCCC[NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001317083972 908970146 /nfs/dbraw/zinc/97/01/46/908970146.db2.gz VZYJJWBEYSRUAL-JOCQHMNTSA-N 2 2 280.372 0.547 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]([NH2+]CCC[C@@H](C)O)C1 ZINC001317092217 908972059 /nfs/dbraw/zinc/97/20/59/908972059.db2.gz ZAUFNUVXHBCEJK-RAIGVLPGSA-N 2 2 294.399 0.658 20 0 CCADLP Cc1cnc(C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)o1 ZINC001317264456 909102379 /nfs/dbraw/zinc/10/23/79/909102379.db2.gz IOUNPNHZBGJINX-JTQLQIEISA-N 2 2 268.361 0.529 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([NH2+]C/C=C/Cl)C1 ZINC001317305192 909131242 /nfs/dbraw/zinc/13/12/42/909131242.db2.gz GBBHWKFOBGUQLQ-GXTWCOJYSA-N 2 2 268.748 0.895 20 0 CCADLP COCCCCC[NH+]1CC(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001318041587 909596826 /nfs/dbraw/zinc/59/68/26/909596826.db2.gz KSCIQXVZLXGUMB-UHFFFAOYSA-N 2 2 294.399 0.809 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCC[N@H+](C)C1)n1cc[nH+]c1 ZINC001318352631 909721698 /nfs/dbraw/zinc/72/16/98/909721698.db2.gz GNGGYDMBABOBIB-VXGBXAGGSA-N 2 2 250.346 0.902 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)C1)n1cc[nH+]c1 ZINC001318352631 909721709 /nfs/dbraw/zinc/72/17/09/909721709.db2.gz GNGGYDMBABOBIB-VXGBXAGGSA-N 2 2 250.346 0.902 20 0 CCADLP CC[C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+]CCCO ZINC001318593375 909826582 /nfs/dbraw/zinc/82/65/82/909826582.db2.gz NYTOEPGPSJVCSZ-NSHDSACASA-N 2 2 268.361 0.127 20 0 CCADLP COCCC[NH2+]CC1(NC(=O)Cn2cc[nH+]c2)CCCC1 ZINC001318672331 909854484 /nfs/dbraw/zinc/85/44/84/909854484.db2.gz XNMAXTVMSJFQMQ-UHFFFAOYSA-N 2 2 294.399 0.938 20 0 CCADLP C[C@@H]([NH2+]CCCO)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001319820342 910309404 /nfs/dbraw/zinc/30/94/04/910309404.db2.gz NHUNXTDIPAOCNA-CHWSQXEVSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1cccnc1 ZINC001390489629 910464111 /nfs/dbraw/zinc/46/41/11/910464111.db2.gz ZYQQGZKLKONIOX-NSHDSACASA-N 2 2 273.340 0.642 20 0 CCADLP Cc1nnc([C@H](C)[NH2+][C@H](C)CNC(=O)C[N@H+](C)C(C)C)[nH]1 ZINC001390537950 910500462 /nfs/dbraw/zinc/50/04/62/910500462.db2.gz YPUJGLWRIZQKLM-MNOVXSKESA-N 2 2 296.419 0.609 20 0 CCADLP Cc1nnc([C@H](C)[NH2+][C@H](C)CNC(=O)C[N@@H+](C)C(C)C)[nH]1 ZINC001390537950 910500478 /nfs/dbraw/zinc/50/04/78/910500478.db2.gz YPUJGLWRIZQKLM-MNOVXSKESA-N 2 2 296.419 0.609 20 0 CCADLP O=C(NC[C@@H](O)C[NH2+]CCF)c1cc2c[nH+]ccc2[nH]1 ZINC001320236663 910547656 /nfs/dbraw/zinc/54/76/56/910547656.db2.gz BXXPZFBLRYCIRY-JTQLQIEISA-N 2 2 280.303 0.213 20 0 CCADLP CC[N@H+](CCCO)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001390928698 910780186 /nfs/dbraw/zinc/78/01/86/910780186.db2.gz RWVHRBFCSZOUHD-UHFFFAOYSA-N 2 2 290.367 0.997 20 0 CCADLP CC[N@@H+](CCCO)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001390928698 910780197 /nfs/dbraw/zinc/78/01/97/910780197.db2.gz RWVHRBFCSZOUHD-UHFFFAOYSA-N 2 2 290.367 0.997 20 0 CCADLP CC[C@H](C(=O)N(C)CC[NH2+][C@@H](C)c1nc(C)no1)[NH+](C)C ZINC001391227243 910992037 /nfs/dbraw/zinc/99/20/37/910992037.db2.gz LCDGIEYAKBIXCJ-CMPLNLGQSA-N 2 2 297.403 0.827 20 0 CCADLP C[NH+](C)C1(C(=O)NC/C=C\C[NH2+]Cc2cnon2)CCC1 ZINC001321090888 911080195 /nfs/dbraw/zinc/08/01/95/911080195.db2.gz GKRSHYBTONLSIA-ARJAWSKDSA-N 2 2 293.371 0.316 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1cnsn1 ZINC001392128436 911595634 /nfs/dbraw/zinc/59/56/34/911595634.db2.gz HKXVYJHABLKORN-NSHDSACASA-N 2 2 299.444 0.816 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1cnsn1 ZINC001392128436 911595644 /nfs/dbraw/zinc/59/56/44/911595644.db2.gz HKXVYJHABLKORN-NSHDSACASA-N 2 2 299.444 0.816 20 0 CCADLP C[C@@H](C[NH2+]CCC[C@H]1CCOC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001322032420 911628270 /nfs/dbraw/zinc/62/82/70/911628270.db2.gz IHDLZUNLJFZMBS-STQMWFEESA-N 2 2 294.399 0.863 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001418002993 921755214 /nfs/dbraw/zinc/75/52/14/921755214.db2.gz BDCRCMXWSHDEEV-HZMBPMFUSA-N 2 2 294.399 0.780 20 0 CCADLP C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001328646175 915329963 /nfs/dbraw/zinc/32/99/63/915329963.db2.gz LVJARVODHWIQRQ-WDEREUQCSA-N 2 2 250.346 0.560 20 0 CCADLP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccn(C)n1 ZINC001399697684 915333771 /nfs/dbraw/zinc/33/37/71/915333771.db2.gz ZWOIAJQAYKCMIR-AWEZNQCLSA-N 2 2 293.415 0.452 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccn(C)n1 ZINC001399697684 915333791 /nfs/dbraw/zinc/33/37/91/915333791.db2.gz ZWOIAJQAYKCMIR-AWEZNQCLSA-N 2 2 293.415 0.452 20 0 CCADLP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1ccn(C)n1 ZINC001399697684 915333812 /nfs/dbraw/zinc/33/38/12/915333812.db2.gz ZWOIAJQAYKCMIR-AWEZNQCLSA-N 2 2 293.415 0.452 20 0 CCADLP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)Cc1ccn(C)n1 ZINC001399697684 915333831 /nfs/dbraw/zinc/33/38/31/915333831.db2.gz ZWOIAJQAYKCMIR-AWEZNQCLSA-N 2 2 293.415 0.452 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001418014408 921764432 /nfs/dbraw/zinc/76/44/32/921764432.db2.gz PUBVLDWNFMIEOJ-YPMHNXCESA-N 2 2 280.372 0.402 20 0 CCADLP [NH3+]Cc1nccnc1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC001339575412 921765717 /nfs/dbraw/zinc/76/57/17/921765717.db2.gz RDTUTKPQSPWSSW-LLVKDONJSA-N 2 2 258.329 0.973 20 0 CCADLP COCC[N@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001400043774 915524350 /nfs/dbraw/zinc/52/43/50/915524350.db2.gz FXTZPQIDPMTKAF-UHFFFAOYSA-N 2 2 280.372 0.488 20 0 CCADLP COCC[N@@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001400043774 915524365 /nfs/dbraw/zinc/52/43/65/915524365.db2.gz FXTZPQIDPMTKAF-UHFFFAOYSA-N 2 2 280.372 0.488 20 0 CCADLP CCCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001400137761 915580684 /nfs/dbraw/zinc/58/06/84/915580684.db2.gz DPFRFJYXOPQHST-CYBMUJFWSA-N 2 2 298.431 0.125 20 0 CCADLP CCCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001400137761 915580702 /nfs/dbraw/zinc/58/07/02/915580702.db2.gz DPFRFJYXOPQHST-CYBMUJFWSA-N 2 2 298.431 0.125 20 0 CCADLP CCCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001400137761 915580707 /nfs/dbraw/zinc/58/07/07/915580707.db2.gz DPFRFJYXOPQHST-CYBMUJFWSA-N 2 2 298.431 0.125 20 0 CCADLP CCCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001400137761 915580721 /nfs/dbraw/zinc/58/07/21/915580721.db2.gz DPFRFJYXOPQHST-CYBMUJFWSA-N 2 2 298.431 0.125 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001400197666 915616724 /nfs/dbraw/zinc/61/67/24/915616724.db2.gz TYEJFYYIOXBQRA-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001400197666 915616734 /nfs/dbraw/zinc/61/67/34/915616734.db2.gz TYEJFYYIOXBQRA-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP [NH3+][C@@H](c1noc([C@@H]2C[NH2+]CCO2)n1)c1ccccc1 ZINC001329408566 915889778 /nfs/dbraw/zinc/88/97/78/915889778.db2.gz BVFSMUOQHIYFNU-WDEREUQCSA-N 2 2 260.297 0.779 20 0 CCADLP C[C@H](C(=O)N[C@H](CC[NH3+])C(F)(F)F)n1cc[nH+]c1 ZINC001329572000 916021929 /nfs/dbraw/zinc/02/19/29/916021929.db2.gz ZIGUDYPXCJFOJJ-HTQZYQBOSA-N 2 2 264.251 0.840 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)CC1CC1 ZINC001329590398 916046770 /nfs/dbraw/zinc/04/67/70/916046770.db2.gz VABCBPCTFWNJRG-SNVBAGLBSA-N 2 2 250.346 0.799 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)CC1CC1 ZINC001329590398 916046788 /nfs/dbraw/zinc/04/67/88/916046788.db2.gz VABCBPCTFWNJRG-SNVBAGLBSA-N 2 2 250.346 0.799 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001329976421 916325993 /nfs/dbraw/zinc/32/59/93/916325993.db2.gz DLFPGEJASGGKSM-NXEZZACHSA-N 2 2 251.334 0.168 20 0 CCADLP O=C(NCCCNc1cccc[nH+]1)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001330084608 916406574 /nfs/dbraw/zinc/40/65/74/916406574.db2.gz HVOZZDWGQPBUPX-GMXVVIOVSA-N 2 2 260.341 0.608 20 0 CCADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+](C)CC2(C)COC2)C1 ZINC001330150264 916435234 /nfs/dbraw/zinc/43/52/34/916435234.db2.gz RXZWGHZYWAIBPU-LBPRGKRZSA-N 2 2 292.383 0.662 20 0 CCADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+](C)CC2(C)COC2)C1 ZINC001330150264 916435249 /nfs/dbraw/zinc/43/52/49/916435249.db2.gz RXZWGHZYWAIBPU-LBPRGKRZSA-N 2 2 292.383 0.662 20 0 CCADLP CC[C@H](C[NH2+]C[C@H](C)NC(=O)Cc1c[nH+]cn1C)OC ZINC001401716295 916511100 /nfs/dbraw/zinc/51/11/00/916511100.db2.gz GZVLOWJOEISMRW-WCQYABFASA-N 2 2 282.388 0.482 20 0 CCADLP C[C@@H](C[N@H+](C)CCOC1CCC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001401803422 916603271 /nfs/dbraw/zinc/60/32/71/916603271.db2.gz KYJBZDYNLXAUOH-LBPRGKRZSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@@H](C[N@@H+](C)CCOC1CCC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001401803422 916603283 /nfs/dbraw/zinc/60/32/83/916603283.db2.gz KYJBZDYNLXAUOH-LBPRGKRZSA-N 2 2 294.399 0.958 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001402777557 917222305 /nfs/dbraw/zinc/22/23/05/917222305.db2.gz JXLYTMHLJOACPW-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001402777557 917222322 /nfs/dbraw/zinc/22/23/22/917222322.db2.gz JXLYTMHLJOACPW-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC001403105068 917485067 /nfs/dbraw/zinc/48/50/67/917485067.db2.gz PFDVQYLRIKNAON-JTQLQIEISA-N 2 2 282.392 0.049 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC001403105068 917485079 /nfs/dbraw/zinc/48/50/79/917485079.db2.gz PFDVQYLRIKNAON-JTQLQIEISA-N 2 2 282.392 0.049 20 0 CCADLP CC(C)[NH2+][C@@H](CO)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001331805050 917622520 /nfs/dbraw/zinc/62/25/20/917622520.db2.gz PVDCBPVFKNUYSC-CMPLNLGQSA-N 2 2 268.361 0.063 20 0 CCADLP CC(C)[NH2+][C@@H](CO)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001331805050 917622529 /nfs/dbraw/zinc/62/25/29/917622529.db2.gz PVDCBPVFKNUYSC-CMPLNLGQSA-N 2 2 268.361 0.063 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC001331879753 917683445 /nfs/dbraw/zinc/68/34/45/917683445.db2.gz WHHWPRCOGDJNKS-ZYHUDNBSSA-N 2 2 265.361 0.737 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC001331879748 917683729 /nfs/dbraw/zinc/68/37/29/917683729.db2.gz WHHWPRCOGDJNKS-CMPLNLGQSA-N 2 2 265.361 0.737 20 0 CCADLP Cc1cc(C[NH2+][C@@H](C)CCNC(=O)Cc2c[nH]c[nH+]2)on1 ZINC001403440769 917717061 /nfs/dbraw/zinc/71/70/61/917717061.db2.gz PGVQDESIGFCLQH-JTQLQIEISA-N 2 2 291.355 0.933 20 0 CCADLP CCOCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCn2cc[nH+]c2)C1 ZINC001332016539 917802730 /nfs/dbraw/zinc/80/27/30/917802730.db2.gz VALBJDBEBZHXFI-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP CC(C)C[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CCO)n1cc[nH+]c1 ZINC001403557192 917809250 /nfs/dbraw/zinc/80/92/50/917809250.db2.gz LRQYXWAIMDPWKO-KGLIPLIRSA-N 2 2 296.415 0.899 20 0 CCADLP CCOCCC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001332034170 917816264 /nfs/dbraw/zinc/81/62/64/917816264.db2.gz ZUFDWJSBWMQTHF-STQMWFEESA-N 2 2 294.399 0.958 20 0 CCADLP CC(C)C[NH2+]C[C@@H](O)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001403864514 918074674 /nfs/dbraw/zinc/07/46/74/918074674.db2.gz BSUHVWBBHGELEE-UONOGXRCSA-N 2 2 296.415 0.899 20 0 CCADLP CN(C[C@@H](O)C[N@H+](C)CCC1CC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001403904877 918109732 /nfs/dbraw/zinc/10/97/32/918109732.db2.gz VWIKDPOOQFGNRL-ZDUSSCGKSA-N 2 2 294.399 0.503 20 0 CCADLP CN(C[C@@H](O)C[N@@H+](C)CCC1CC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001403904877 918109744 /nfs/dbraw/zinc/10/97/44/918109744.db2.gz VWIKDPOOQFGNRL-ZDUSSCGKSA-N 2 2 294.399 0.503 20 0 CCADLP C/C(=C/C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1)C[NH+]1CCOCC1 ZINC001333318333 918798329 /nfs/dbraw/zinc/79/83/29/918798329.db2.gz ZMDRLGBGXZFEIL-XZVYODRBSA-N 2 2 293.411 0.427 20 0 CCADLP C/C(=C/C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1)C[NH+]1CCOCC1 ZINC001333318333 918798344 /nfs/dbraw/zinc/79/83/44/918798344.db2.gz ZMDRLGBGXZFEIL-XZVYODRBSA-N 2 2 293.411 0.427 20 0 CCADLP [NH3+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCOCC1 ZINC001333353455 918829235 /nfs/dbraw/zinc/82/92/35/918829235.db2.gz VZXXQJVUXVGJBM-NXEZZACHSA-N 2 2 264.329 0.137 20 0 CCADLP [NH3+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCOCC1 ZINC001333353455 918829241 /nfs/dbraw/zinc/82/92/41/918829241.db2.gz VZXXQJVUXVGJBM-NXEZZACHSA-N 2 2 264.329 0.137 20 0 CCADLP Cc1noc(C[NH2+]C[C@H](C)N(C)C(=O)C[NH+]2CCCC2)n1 ZINC001405895588 918965382 /nfs/dbraw/zinc/96/53/82/918965382.db2.gz QWMYGVAJKBJTBH-NSHDSACASA-N 2 2 295.387 0.410 20 0 CCADLP CCN(C(=O)NCCn1cc[nH+]c1)[C@H]1CC[NH2+]C1 ZINC001333568264 919007467 /nfs/dbraw/zinc/00/74/67/919007467.db2.gz AJJHEQQRKLDPMZ-NSHDSACASA-N 2 2 251.334 0.277 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]([NH2+]C[C@H](C)O)C(C)C ZINC001406075598 919033031 /nfs/dbraw/zinc/03/30/31/919033031.db2.gz ZKTFMBPMLZXNRX-GXFFZTMASA-N 2 2 282.388 0.372 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNc1cc[nH+]c(CO)c1 ZINC001333610628 919040676 /nfs/dbraw/zinc/04/06/76/919040676.db2.gz CMLPTTHVDFVNHQ-LLVKDONJSA-N 2 2 251.330 0.707 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNc1cc[nH+]c(CO)c1 ZINC001333610628 919040682 /nfs/dbraw/zinc/04/06/82/919040682.db2.gz CMLPTTHVDFVNHQ-LLVKDONJSA-N 2 2 251.330 0.707 20 0 CCADLP C[C@H](C[NH2+]Cc1cnsn1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001406337561 919191067 /nfs/dbraw/zinc/19/10/67/919191067.db2.gz OBRBVXZGNDPFIP-KOLCDFICSA-N 2 2 283.401 0.227 20 0 CCADLP C[C@H](C[NH2+]Cc1cnsn1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001406337561 919191072 /nfs/dbraw/zinc/19/10/72/919191072.db2.gz OBRBVXZGNDPFIP-KOLCDFICSA-N 2 2 283.401 0.227 20 0 CCADLP Cc1noc([C@H](C)[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001406509135 919310891 /nfs/dbraw/zinc/31/08/91/919310891.db2.gz CWTMWIKEVZKPNE-UWVGGRQHSA-N 2 2 283.376 0.485 20 0 CCADLP CC[C@H](C[NH2+]C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C)OC ZINC001406551202 919343157 /nfs/dbraw/zinc/34/31/57/919343157.db2.gz GTHYDONPHCXSHV-CMPLNLGQSA-N 2 2 282.388 0.780 20 0 CCADLP COCC[N@@H+]1CC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001406885323 919518679 /nfs/dbraw/zinc/51/86/79/919518679.db2.gz WRDKQCOSPYSANO-STQMWFEESA-N 2 2 280.372 0.671 20 0 CCADLP COCC[N@H+]1CC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001406885323 919518702 /nfs/dbraw/zinc/51/87/02/919518702.db2.gz WRDKQCOSPYSANO-STQMWFEESA-N 2 2 280.372 0.671 20 0 CCADLP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]Cc3cnon3)CC2)C1 ZINC001406992878 919568036 /nfs/dbraw/zinc/56/80/36/919568036.db2.gz ZBCZJGGZFHSLKX-NSHDSACASA-N 2 2 293.371 0.150 20 0 CCADLP C[N@H+]1CC[C@@H](CC(=O)NCC2([NH2+]Cc3cnon3)CC2)C1 ZINC001406992878 919568045 /nfs/dbraw/zinc/56/80/45/919568045.db2.gz ZBCZJGGZFHSLKX-NSHDSACASA-N 2 2 293.371 0.150 20 0 CCADLP CN1C[C@H](C[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)OC1=O ZINC001334631698 919685308 /nfs/dbraw/zinc/68/53/08/919685308.db2.gz KPQGKUVYVBSWSM-WZRBSPASSA-N 2 2 253.346 0.321 20 0 CCADLP CN1C[C@H](C[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)OC1=O ZINC001334631698 919685321 /nfs/dbraw/zinc/68/53/21/919685321.db2.gz KPQGKUVYVBSWSM-WZRBSPASSA-N 2 2 253.346 0.321 20 0 CCADLP CN1C[C@H](C[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)OC1=O ZINC001334631698 919685332 /nfs/dbraw/zinc/68/53/32/919685332.db2.gz KPQGKUVYVBSWSM-WZRBSPASSA-N 2 2 253.346 0.321 20 0 CCADLP CN1C[C@H](C[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)OC1=O ZINC001334631698 919685337 /nfs/dbraw/zinc/68/53/37/919685337.db2.gz KPQGKUVYVBSWSM-WZRBSPASSA-N 2 2 253.346 0.321 20 0 CCADLP CC(=O)NCC[NH+]1CCC([NH2+]C[C@H]2CC[C@H](C)O2)CC1 ZINC001407568859 919810992 /nfs/dbraw/zinc/81/09/92/919810992.db2.gz IGQUVDPBYFPYBS-SWLSCSKDSA-N 2 2 283.416 0.744 20 0 CCADLP C[C@H]1CC[N@H+](CC[NH2+]C[C@@H](O)CC2(O)CCOCC2)C1 ZINC001335443180 920196767 /nfs/dbraw/zinc/19/67/67/920196767.db2.gz CVOJXQMUPWZBFY-KBPBESRZSA-N 2 2 286.416 0.210 20 0 CCADLP C[C@H]1CC[N@@H+](CC[NH2+]C[C@@H](O)CC2(O)CCOCC2)C1 ZINC001335443180 920196782 /nfs/dbraw/zinc/19/67/82/920196782.db2.gz CVOJXQMUPWZBFY-KBPBESRZSA-N 2 2 286.416 0.210 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)C[NH+]1CCC(CO)CC1 ZINC001335786257 920433254 /nfs/dbraw/zinc/43/32/54/920433254.db2.gz NMJIQEHVUZKATO-UHFFFAOYSA-N 2 2 294.399 0.402 20 0 CCADLP C[C@H]1CC[C@@H]1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336890447 921083187 /nfs/dbraw/zinc/08/31/87/921083187.db2.gz GKFOUJMWVGPQBK-JQWIXIFHSA-N 2 2 254.378 0.507 20 0 CCADLP C[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC001336921420 921107408 /nfs/dbraw/zinc/10/74/08/921107408.db2.gz IIPAMGZNACJWCD-LLVKDONJSA-N 2 2 287.323 0.093 20 0 CCADLP C[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC001336921420 921107415 /nfs/dbraw/zinc/10/74/15/921107415.db2.gz IIPAMGZNACJWCD-LLVKDONJSA-N 2 2 287.323 0.093 20 0 CCADLP Cc1ncc(C[NH2+][C@H](C)CNC(=O)Cc2c[nH+]cn2C)o1 ZINC001418302424 922008540 /nfs/dbraw/zinc/00/85/40/922008540.db2.gz ONMHZDRBJJNIMV-SNVBAGLBSA-N 2 2 291.355 0.554 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)CNC(=O)C[NH+]2CCCC2)o1 ZINC001418314222 922014281 /nfs/dbraw/zinc/01/42/81/922014281.db2.gz GZOCBLATGGBYBC-JTQLQIEISA-N 2 2 281.360 0.068 20 0 CCADLP CC[C@H](C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)OC ZINC001418333436 922031494 /nfs/dbraw/zinc/03/14/94/922031494.db2.gz KARJKNWGQQTPPP-QWHCGFSZSA-N 2 2 280.372 0.499 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC001418406985 922086679 /nfs/dbraw/zinc/08/66/79/922086679.db2.gz UEPXDCQXAAUEND-CHWSQXEVSA-N 2 2 299.415 0.185 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC001418406985 922086691 /nfs/dbraw/zinc/08/66/91/922086691.db2.gz UEPXDCQXAAUEND-CHWSQXEVSA-N 2 2 299.415 0.185 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[C@H]([NH3+])C(F)F)[C@H]1CC[NH3+] ZINC001340561530 922116504 /nfs/dbraw/zinc/11/65/04/922116504.db2.gz XHHKWKIIBJEKTA-UTLUCORTSA-N 2 2 263.332 0.945 20 0 CCADLP Cn1nccc1C[N@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001418464465 922149452 /nfs/dbraw/zinc/14/94/52/922149452.db2.gz BKTJYJYIFPWZSP-UHFFFAOYSA-N 2 2 293.415 0.452 20 0 CCADLP Cn1nccc1C[N@@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001418464465 922149459 /nfs/dbraw/zinc/14/94/59/922149459.db2.gz BKTJYJYIFPWZSP-UHFFFAOYSA-N 2 2 293.415 0.452 20 0 CCADLP CO[C@@H](C)C[N@H+](C)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001418473100 922161409 /nfs/dbraw/zinc/16/14/09/922161409.db2.gz VDBAIWXUZTWXRJ-STQMWFEESA-N 2 2 294.399 0.528 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001418473100 922161421 /nfs/dbraw/zinc/16/14/21/922161421.db2.gz VDBAIWXUZTWXRJ-STQMWFEESA-N 2 2 294.399 0.528 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[NH2+]1 ZINC001340923691 922280765 /nfs/dbraw/zinc/28/07/65/922280765.db2.gz SWFYQUCKGYKHTL-UTUOFQBUSA-N 2 2 262.357 0.702 20 0 CCADLP [NH3+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C(F)(F)F ZINC001340943858 922286264 /nfs/dbraw/zinc/28/62/64/922286264.db2.gz VCJGSBJOPKBOGJ-RNFRBKRXSA-N 2 2 262.235 0.300 20 0 CCADLP CO[C@H]1CCC[C@@H]1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001341057470 922329729 /nfs/dbraw/zinc/32/97/29/922329729.db2.gz VAWKLNTXFBDUOE-STQMWFEESA-N 2 2 269.389 0.341 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001418700820 922372042 /nfs/dbraw/zinc/37/20/42/922372042.db2.gz VTKMRGMMIBCPLE-SRVKXCTJSA-N 2 2 280.372 0.472 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001418707840 922380922 /nfs/dbraw/zinc/38/09/22/922380922.db2.gz MBNYUMNPRPZHRT-AVGNSLFASA-N 2 2 280.372 0.402 20 0 CCADLP C[C@@H](O)C[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001418931211 922490107 /nfs/dbraw/zinc/49/01/07/922490107.db2.gz JOANGVHIFLEALH-NEPJUHHUSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001418931211 922490113 /nfs/dbraw/zinc/49/01/13/922490113.db2.gz JOANGVHIFLEALH-NEPJUHHUSA-N 2 2 280.372 0.113 20 0 CCADLP O=C(/C=C/C[NH+]1CCOCC1)NC1(C2CC[NH2+]CC2)CC1 ZINC001341525626 922532624 /nfs/dbraw/zinc/53/26/24/922532624.db2.gz GSOFHFGGOAGHED-OWOJBTEDSA-N 2 2 293.411 0.523 20 0 CCADLP O=C(CC[NH+]1CCOCC1)NC1C[NH+](CC2CCC2)C1 ZINC001418992444 922550100 /nfs/dbraw/zinc/55/01/00/922550100.db2.gz GARMMNWVAQEBLH-UHFFFAOYSA-N 2 2 281.400 0.309 20 0 CCADLP C[NH2+]C1(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CCC1 ZINC001341604654 922576927 /nfs/dbraw/zinc/57/69/27/922576927.db2.gz HTCDDZIJZPRWIZ-VXGBXAGGSA-N 2 2 269.389 0.354 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC001341973937 922744725 /nfs/dbraw/zinc/74/47/25/922744725.db2.gz IPGDNCIZLSAPJP-DVVUODLYSA-N 2 2 250.346 0.830 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC001341973937 922744734 /nfs/dbraw/zinc/74/47/34/922744734.db2.gz IPGDNCIZLSAPJP-DVVUODLYSA-N 2 2 250.346 0.830 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[NH2+]1 ZINC001342319617 922909692 /nfs/dbraw/zinc/90/96/92/922909692.db2.gz BMOZVDYWURZEKD-NNYUYHANSA-N 2 2 262.357 0.780 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001342509584 922987752 /nfs/dbraw/zinc/98/77/52/922987752.db2.gz MUAUNQHTUPIMSS-WOPDTQHZSA-N 2 2 262.357 0.417 20 0 CCADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]Cc1cnn(C)c1 ZINC001419767024 923083195 /nfs/dbraw/zinc/08/31/95/923083195.db2.gz KULLOBVVJPDRJL-NSHDSACASA-N 2 2 290.371 0.370 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1cnon1 ZINC001419772102 923087159 /nfs/dbraw/zinc/08/71/59/923087159.db2.gz SNOYHRDBVSZPSX-WCQYABFASA-N 2 2 295.387 0.538 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1cnon1 ZINC001419772102 923087173 /nfs/dbraw/zinc/08/71/73/923087173.db2.gz SNOYHRDBVSZPSX-WCQYABFASA-N 2 2 295.387 0.538 20 0 CCADLP C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1cnon1 ZINC001419841871 923128316 /nfs/dbraw/zinc/12/83/16/923128316.db2.gz SEPDDKOMJDSBGR-JTQLQIEISA-N 2 2 281.360 0.006 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CCc3occc32)C[C@H](C)[NH2+]1 ZINC001343038123 923177011 /nfs/dbraw/zinc/17/70/11/923177011.db2.gz PXXXDTHGOZSTCZ-GBIKHYSHSA-N 2 2 263.341 0.675 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]C[C@@H]1CCCCO1 ZINC001419956929 923194247 /nfs/dbraw/zinc/19/42/47/923194247.db2.gz OKPLZEIWTXAHPY-STQMWFEESA-N 2 2 280.372 0.547 20 0 CCADLP CC[C@@H](C[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)OC ZINC001420016204 923240979 /nfs/dbraw/zinc/24/09/79/923240979.db2.gz XIARAASHVCWFIG-KGLIPLIRSA-N 2 2 294.399 0.746 20 0 CCADLP CC1(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[NH2+]CC1 ZINC001343485032 923346632 /nfs/dbraw/zinc/34/66/32/923346632.db2.gz BYJSZOWDQUTGOB-LLVKDONJSA-N 2 2 262.357 0.704 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]([NH3+])CC1CC1 ZINC001343737610 923454288 /nfs/dbraw/zinc/45/42/88/923454288.db2.gz XGXDOCPSCJPAHK-WCQYABFASA-N 2 2 269.389 0.293 20 0 CCADLP CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)c1nnc(C)o1)[NH+](C)C ZINC001420345885 923561292 /nfs/dbraw/zinc/56/12/92/923561292.db2.gz UHMZERSAWQQSLW-SCVCMEIPSA-N 2 2 297.403 0.874 20 0 CCADLP Cc1nnc(C[NH2+]C[C@H](C)NC(=O)C[NH+]2CCCC2)o1 ZINC001420510188 923727833 /nfs/dbraw/zinc/72/78/33/923727833.db2.gz LACADTQEWZEBTF-JTQLQIEISA-N 2 2 281.360 0.068 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[C@H]1C[NH3+] ZINC001345012748 923760183 /nfs/dbraw/zinc/76/01/83/923760183.db2.gz SQHXIFAEOOBCKC-NNYUYHANSA-N 2 2 262.357 0.957 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[C@H]1C[NH3+] ZINC001345012748 923760189 /nfs/dbraw/zinc/76/01/89/923760189.db2.gz SQHXIFAEOOBCKC-NNYUYHANSA-N 2 2 262.357 0.957 20 0 CCADLP C[C@@H](O)C[N@H+](C)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001420602213 923814852 /nfs/dbraw/zinc/81/48/52/923814852.db2.gz SABHCDXVRIZZKM-NWDGAFQWSA-N 2 2 290.367 0.765 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001420602213 923814855 /nfs/dbraw/zinc/81/48/55/923814855.db2.gz SABHCDXVRIZZKM-NWDGAFQWSA-N 2 2 290.367 0.765 20 0 CCADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001345716882 923957486 /nfs/dbraw/zinc/95/74/86/923957486.db2.gz XKUKULLARHEDPN-GBJFIMJBSA-N 2 2 279.384 0.133 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC[C@H]1CC[N@@H+](CCCO)C1 ZINC001420859011 923987262 /nfs/dbraw/zinc/98/72/62/923987262.db2.gz NDEGRCMTSXKIHP-ZDUSSCGKSA-N 2 2 294.399 0.553 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC[C@H]1CC[N@H+](CCCO)C1 ZINC001420859011 923987276 /nfs/dbraw/zinc/98/72/76/923987276.db2.gz NDEGRCMTSXKIHP-ZDUSSCGKSA-N 2 2 294.399 0.553 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC[C@H]1CC[N@@H+](CCCO)C1 ZINC001420859011 923987286 /nfs/dbraw/zinc/98/72/86/923987286.db2.gz NDEGRCMTSXKIHP-ZDUSSCGKSA-N 2 2 294.399 0.553 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC[C@H]1CC[N@H+](CCCO)C1 ZINC001420859011 923987296 /nfs/dbraw/zinc/98/72/96/923987296.db2.gz NDEGRCMTSXKIHP-ZDUSSCGKSA-N 2 2 294.399 0.553 20 0 CCADLP [NH3+]C1(CNC(=O)NCCCNc2cccc[nH+]2)CC1 ZINC001346183099 924101173 /nfs/dbraw/zinc/10/11/73/924101173.db2.gz YFCUOYWSZRYFGI-UHFFFAOYSA-N 2 2 263.345 0.674 20 0 CCADLP CO[C@H](C[NH+]1CC(NC(=O)C[N@H+](C)C(C)C)C1)C1CCC1 ZINC001421096608 924150788 /nfs/dbraw/zinc/15/07/88/924150788.db2.gz AOGNMDHZDVKELK-OAHLLOKOSA-N 2 2 297.443 0.942 20 0 CCADLP CO[C@H](C[NH+]1CC(NC(=O)C[N@@H+](C)C(C)C)C1)C1CCC1 ZINC001421096608 924150792 /nfs/dbraw/zinc/15/07/92/924150792.db2.gz AOGNMDHZDVKELK-OAHLLOKOSA-N 2 2 297.443 0.942 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC1(C)CC[NH+](CCCO)CC1 ZINC001421151921 924182747 /nfs/dbraw/zinc/18/27/47/924182747.db2.gz PGFGZROMBBSHGF-UHFFFAOYSA-N 2 2 294.399 0.316 20 0 CCADLP CC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(N)=O ZINC001347179219 924391075 /nfs/dbraw/zinc/39/10/75/924391075.db2.gz UCFJALOWAUIVCM-VXGBXAGGSA-N 2 2 255.362 0.093 20 0 CCADLP Cc1ccncc1C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC001348446875 924691891 /nfs/dbraw/zinc/69/18/91/924691891.db2.gz LGADIYGZNYBSHZ-UHFFFAOYSA-N 2 2 259.313 0.634 20 0 CCADLP COCC[C@H]([NH3+])C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001353062980 925720111 /nfs/dbraw/zinc/72/01/11/925720111.db2.gz IOJDFGPIHUFBKD-QWRGUYRKSA-N 2 2 266.345 0.480 20 0 CCADLP C[C@@H]1CN(C(=O)NCCc2cn(C)c[nH+]2)C[C@H]1C[NH3+] ZINC001353413256 925825806 /nfs/dbraw/zinc/82/58/06/925825806.db2.gz HZZTUMDYBLRNMY-GHMZBOCLSA-N 2 2 265.361 0.199 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)C1=NO[C@@]2(C1)CCC[NH2+]C2 ZINC001353432811 925833597 /nfs/dbraw/zinc/83/35/97/925833597.db2.gz PDCKBYBYXYHQBA-CQSZACIVSA-N 2 2 291.355 0.288 20 0 CCADLP O=C(NCCn1cc[nH+]c1)[C@H]1C[NH2+]CCC12CCC2 ZINC001353447467 925836202 /nfs/dbraw/zinc/83/62/02/925836202.db2.gz GANKGPGNFKOHMI-GFCCVEGCSA-N 2 2 262.357 0.779 20 0 CCADLP [NH3+]CC12CC(C1)CN2C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001354286600 926069543 /nfs/dbraw/zinc/06/95/43/926069543.db2.gz SJFJWISRYZRDOK-CVZZAPKMSA-N 2 2 260.341 0.395 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC001354854282 926174609 /nfs/dbraw/zinc/17/46/09/926174609.db2.gz OGMOQMWDLGLVMB-QJPTWQEYSA-N 2 2 257.378 0.197 20 0 CCADLP Cc1nnc(CC[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)o1 ZINC001413967963 926304703 /nfs/dbraw/zinc/30/47/03/926304703.db2.gz MXPZTYLGGYIPSV-CQSZACIVSA-N 2 2 293.415 0.632 20 0 CCADLP Cc1nnc(CC[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)o1 ZINC001413967963 926304713 /nfs/dbraw/zinc/30/47/13/926304713.db2.gz MXPZTYLGGYIPSV-CQSZACIVSA-N 2 2 293.415 0.632 20 0 CCADLP C[NH2+]C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001356498995 926393837 /nfs/dbraw/zinc/39/38/37/926393837.db2.gz MDEQHKAVTQYAAU-JTQLQIEISA-N 2 2 250.346 0.799 20 0 CCADLP C[NH2+]C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001356498995 926393846 /nfs/dbraw/zinc/39/38/46/926393846.db2.gz MDEQHKAVTQYAAU-JTQLQIEISA-N 2 2 250.346 0.799 20 0 CCADLP C[C@@H](CO)CCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001357336599 926514130 /nfs/dbraw/zinc/51/41/30/926514130.db2.gz JJKGOJGDOUSUFY-GFCCVEGCSA-N 2 2 286.420 0.117 20 0 CCADLP CC(C)CC[N@@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001421377665 926712325 /nfs/dbraw/zinc/71/23/25/926712325.db2.gz AFYSRQHIYDSJRG-OAHLLOKOSA-N 2 2 294.399 0.551 20 0 CCADLP CC(C)CC[N@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001421377665 926712335 /nfs/dbraw/zinc/71/23/35/926712335.db2.gz AFYSRQHIYDSJRG-OAHLLOKOSA-N 2 2 294.399 0.551 20 0 CCADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC[C@H]1CCOC1 ZINC001421515385 926784595 /nfs/dbraw/zinc/78/45/95/926784595.db2.gz ZZYJYKQYLQOLCR-UONOGXRCSA-N 2 2 294.399 0.794 20 0 CCADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC[C@H]1CCOC1 ZINC001421515381 926785126 /nfs/dbraw/zinc/78/51/26/926785126.db2.gz ZZYJYKQYLQOLCR-KBPBESRZSA-N 2 2 294.399 0.794 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@]1(CO)CCC[N@H+](CCF)C1 ZINC001421610297 926814931 /nfs/dbraw/zinc/81/49/31/926814931.db2.gz NBBJOXQWIRSHIH-CQSZACIVSA-N 2 2 298.362 0.104 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@]1(CO)CCC[N@@H+](CCF)C1 ZINC001421610297 926814942 /nfs/dbraw/zinc/81/49/42/926814942.db2.gz NBBJOXQWIRSHIH-CQSZACIVSA-N 2 2 298.362 0.104 20 0 CCADLP C[C@H](O)C[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CCCC1 ZINC001421846954 926945525 /nfs/dbraw/zinc/94/55/25/926945525.db2.gz XGZKHJKXUDQBTA-LBPRGKRZSA-N 2 2 294.399 0.362 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@H](C)N(C)C(=O)CCc1[nH+]ccn1C ZINC001421931105 926995975 /nfs/dbraw/zinc/99/59/75/926995975.db2.gz DTPPURMQOGBGCR-QWHCGFSZSA-N 2 2 296.415 0.824 20 0 CCADLP C[C@@H](C[NH2+]C[C@H]1CCOC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001421975428 927022814 /nfs/dbraw/zinc/02/28/14/927022814.db2.gz AQHBGXGOMSCGRW-QWHCGFSZSA-N 2 2 280.372 0.356 20 0 CCADLP CC[NH2+][C@]1(CO)CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001421972679 927023341 /nfs/dbraw/zinc/02/33/41/927023341.db2.gz NLROMRHSGLHPPY-OAHLLOKOSA-N 2 2 294.399 0.316 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC001422099414 927072389 /nfs/dbraw/zinc/07/23/89/927072389.db2.gz HJIHNERSOVSFSU-HOTGVXAUSA-N 2 2 299.459 0.750 20 0 CCADLP C[C@H]1COCC[N@H+]1CCN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC001422099414 927072407 /nfs/dbraw/zinc/07/24/07/927072407.db2.gz HJIHNERSOVSFSU-HOTGVXAUSA-N 2 2 299.459 0.750 20 0 CCADLP CC(C)[C@@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]C[C@H](C)O ZINC001422122478 927083168 /nfs/dbraw/zinc/08/31/68/927083168.db2.gz GPDOANWQCPXNGW-QWHCGFSZSA-N 2 2 296.415 0.464 20 0 CCADLP C[C@H](O)C[N@H+](C)CCN(C)C(=O)CCc1[nH+]ccn1C ZINC001422180925 927128984 /nfs/dbraw/zinc/12/89/84/927128984.db2.gz AWHICZPPWNWHCG-LBPRGKRZSA-N 2 2 282.388 0.124 20 0 CCADLP C[C@H](O)C[N@@H+](C)CCN(C)C(=O)CCc1[nH+]ccn1C ZINC001422180925 927128999 /nfs/dbraw/zinc/12/89/99/927128999.db2.gz AWHICZPPWNWHCG-LBPRGKRZSA-N 2 2 282.388 0.124 20 0 CCADLP CC(C)[NH+]1CCC(CO)(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001422201408 927144135 /nfs/dbraw/zinc/14/41/35/927144135.db2.gz BNZDHNJVGRKCAV-UHFFFAOYSA-N 2 2 294.399 0.625 20 0 CCADLP CCn1nnc(C)c1C[NH2+]C1CC[NH+](CCOC)CC1 ZINC001422602374 927402725 /nfs/dbraw/zinc/40/27/25/927402725.db2.gz FVEIEYXQLARVOQ-UHFFFAOYSA-N 2 2 281.404 0.807 20 0 CCADLP C[C@@H](C[NH2+][C@@H](C)c1csnn1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001422704564 927460554 /nfs/dbraw/zinc/46/05/54/927460554.db2.gz RNKDQSFNNDVZFW-JBLDHEPKSA-N 2 2 297.428 0.788 20 0 CCADLP C[C@@H](C[NH2+][C@@H](C)c1csnn1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001422704564 927460560 /nfs/dbraw/zinc/46/05/60/927460560.db2.gz RNKDQSFNNDVZFW-JBLDHEPKSA-N 2 2 297.428 0.788 20 0 CCADLP C[C@@H](CC[NH+](C)C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC001362009871 927516435 /nfs/dbraw/zinc/51/64/35/927516435.db2.gz NRCMOWWZIKBMAB-ZDUSSCGKSA-N 2 2 285.432 0.801 20 0 CCADLP C[NH+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC001362015975 927523892 /nfs/dbraw/zinc/52/38/92/927523892.db2.gz UYQVZMNWIGWEPS-UHFFFAOYSA-N 2 2 271.324 0.655 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001362183881 927704481 /nfs/dbraw/zinc/70/44/81/927704481.db2.gz ZKEVYMJNBOCECF-VXGBXAGGSA-N 2 2 278.356 0.240 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001362183881 927704495 /nfs/dbraw/zinc/70/44/95/927704495.db2.gz ZKEVYMJNBOCECF-VXGBXAGGSA-N 2 2 278.356 0.240 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccon1 ZINC001423165798 927704782 /nfs/dbraw/zinc/70/47/82/927704782.db2.gz JYYGOCAYVJNEHI-LLVKDONJSA-N 2 2 291.355 0.816 20 0 CCADLP C[C@H](NC(=O)CC[N@@H+]1CC[C@@H](F)C1)[C@H]1C[NH+](C)CCO1 ZINC001362226731 927749282 /nfs/dbraw/zinc/74/92/82/927749282.db2.gz GIFNCNHCYLFVCJ-YNEHKIRRSA-N 2 2 287.379 0.256 20 0 CCADLP C[C@H](NC(=O)CC[N@H+]1CC[C@@H](F)C1)[C@H]1C[NH+](C)CCO1 ZINC001362226731 927749293 /nfs/dbraw/zinc/74/92/93/927749293.db2.gz GIFNCNHCYLFVCJ-YNEHKIRRSA-N 2 2 287.379 0.256 20 0 CCADLP C[C@H](NC(=O)CC[NH+]1CC[C@@H](F)C1)[C@H]1C[N@H+](C)CCO1 ZINC001362226731 927749300 /nfs/dbraw/zinc/74/93/00/927749300.db2.gz GIFNCNHCYLFVCJ-YNEHKIRRSA-N 2 2 287.379 0.256 20 0 CCADLP C[C@H](NC(=O)CC[NH+]1CC[C@@H](F)C1)[C@H]1C[N@@H+](C)CCO1 ZINC001362226731 927749305 /nfs/dbraw/zinc/74/93/05/927749305.db2.gz GIFNCNHCYLFVCJ-YNEHKIRRSA-N 2 2 287.379 0.256 20 0 CCADLP CC(C)C[NH2+][C@H](CO)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001423232755 927753788 /nfs/dbraw/zinc/75/37/88/927753788.db2.gz RHRSPRJFWQKUQH-LBPRGKRZSA-N 2 2 290.367 0.899 20 0 CCADLP CC(C)C[NH2+][C@@H](CO)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001423288470 927792356 /nfs/dbraw/zinc/79/23/56/927792356.db2.gz MICZBLUEFPAARB-CHWSQXEVSA-N 2 2 282.388 0.557 20 0 CCADLP CS[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1[NH+](C)C ZINC001362260889 927793238 /nfs/dbraw/zinc/79/32/38/927793238.db2.gz RPRCRTFOVZTTGY-VXGBXAGGSA-N 2 2 282.413 0.765 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]1C[N@H+](C)CCCO ZINC001424700421 928256506 /nfs/dbraw/zinc/25/65/06/928256506.db2.gz UBEBOSBDIJJKSF-CYBMUJFWSA-N 2 2 294.399 0.268 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]1C[N@@H+](C)CCCO ZINC001424700421 928256520 /nfs/dbraw/zinc/25/65/20/928256520.db2.gz UBEBOSBDIJJKSF-CYBMUJFWSA-N 2 2 294.399 0.268 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1([NH+](C)C)CCCC1 ZINC001362661619 928319183 /nfs/dbraw/zinc/31/91/83/928319183.db2.gz RPJFKRDKZUZKCN-UHFFFAOYSA-N 3 2 298.475 0.861 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1([NH+](C)C)CCCC1 ZINC001362661619 928319198 /nfs/dbraw/zinc/31/91/98/928319198.db2.gz RPJFKRDKZUZKCN-UHFFFAOYSA-N 3 2 298.475 0.861 20 0 CCADLP COC[C@@H](C)[NH+]1CC([C@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001425247512 928478843 /nfs/dbraw/zinc/47/88/43/928478843.db2.gz VUMHYNDFWNATAV-OLZOCXBDSA-N 2 2 294.399 0.745 20 0 CCADLP CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CCO1 ZINC001425364340 928526892 /nfs/dbraw/zinc/52/68/92/928526892.db2.gz CACOJXDPSZKYGB-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP CC(C)[C@@H](CCNC(=O)Cc1c[nH+]cn1C)[NH2+]C[C@H](C)O ZINC001425466049 928554091 /nfs/dbraw/zinc/55/40/91/928554091.db2.gz NMBMGZWYLOMTIK-GXTWGEPZSA-N 2 2 296.415 0.464 20 0 CCADLP COC(=O)C[C@H](C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC001362932328 928667124 /nfs/dbraw/zinc/66/71/24/928667124.db2.gz HKJFLSGFNULDHG-LBPRGKRZSA-N 2 2 287.404 0.185 20 0 CCADLP COC(=O)C[C@H](C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC001362932328 928667129 /nfs/dbraw/zinc/66/71/29/928667129.db2.gz HKJFLSGFNULDHG-LBPRGKRZSA-N 2 2 287.404 0.185 20 0 CCADLP CC1CC(C[NH2+][C@@H](CO)CNC(=O)CCn2cc[nH+]c2)C1 ZINC001425777052 928667974 /nfs/dbraw/zinc/66/79/74/928667974.db2.gz QKJCKEOMOMMRPF-JXQTWKCFSA-N 2 2 294.399 0.386 20 0 CCADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](C)CC[NH+](C)C ZINC001362984811 928727510 /nfs/dbraw/zinc/72/75/10/928727510.db2.gz IOJMBCHQGJREMS-ZYHUDNBSSA-N 2 2 296.371 0.198 20 0 CCADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](C)CC[NH+](C)C ZINC001362984811 928727518 /nfs/dbraw/zinc/72/75/18/928727518.db2.gz IOJMBCHQGJREMS-ZYHUDNBSSA-N 2 2 296.371 0.198 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001362985959 928727782 /nfs/dbraw/zinc/72/77/82/928727782.db2.gz ASPNKBMIYJZVTE-GHMZBOCLSA-N 2 2 278.356 0.178 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001362985959 928727788 /nfs/dbraw/zinc/72/77/88/928727788.db2.gz ASPNKBMIYJZVTE-GHMZBOCLSA-N 2 2 278.356 0.178 20 0 CCADLP CC[C@H](F)C[NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001426046812 928738070 /nfs/dbraw/zinc/73/80/70/928738070.db2.gz BWROMVDCSSYMCD-RYUDHWBXSA-N 2 2 286.351 0.040 20 0 CCADLP CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001426066165 928745407 /nfs/dbraw/zinc/74/54/07/928745407.db2.gz ITWGVUGTFGHTAK-TZMCWYRMSA-N 2 2 294.399 0.217 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001426066165 928745415 /nfs/dbraw/zinc/74/54/15/928745415.db2.gz ITWGVUGTFGHTAK-TZMCWYRMSA-N 2 2 294.399 0.217 20 0 CCADLP C[NH+](C)CC1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001363072049 928837120 /nfs/dbraw/zinc/83/71/20/928837120.db2.gz OWYCZXLJTGGTGQ-VXGBXAGGSA-N 2 2 292.383 0.428 20 0 CCADLP C[NH+](C)CC1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001363072049 928837125 /nfs/dbraw/zinc/83/71/25/928837125.db2.gz OWYCZXLJTGGTGQ-VXGBXAGGSA-N 2 2 292.383 0.428 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC001363203292 928973006 /nfs/dbraw/zinc/97/30/06/928973006.db2.gz GPWMAHYPKHSJIP-MCIONIFRSA-N 2 2 295.427 0.696 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC001363203292 928973010 /nfs/dbraw/zinc/97/30/10/928973010.db2.gz GPWMAHYPKHSJIP-MCIONIFRSA-N 2 2 295.427 0.696 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001363626960 929427761 /nfs/dbraw/zinc/42/77/61/929427761.db2.gz GQMQHAWUSMLPFY-LBPRGKRZSA-N 2 2 278.356 0.253 20 0 CCADLP CC[C@H](C(=O)NC1C[NH+](C[C@@H](C)OC)C1)[NH+](CC)CC ZINC001443524519 929636595 /nfs/dbraw/zinc/63/65/95/929636595.db2.gz IRYMXXFKEAHRRI-TZMCWYRMSA-N 2 2 285.432 0.942 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[N@@H+](C)C/C=C\Cl ZINC001372043751 929714004 /nfs/dbraw/zinc/71/40/04/929714004.db2.gz ICKBYTUQVKSWIA-ARJAWSKDSA-N 2 2 270.764 0.992 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[N@H+](C)C/C=C\Cl ZINC001372043751 929714030 /nfs/dbraw/zinc/71/40/30/929714030.db2.gz ICKBYTUQVKSWIA-ARJAWSKDSA-N 2 2 270.764 0.992 20 0 CCADLP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1nc(C)no1 ZINC001444043417 929773177 /nfs/dbraw/zinc/77/31/77/929773177.db2.gz RXJIVHPIFVZDQY-GFCCVEGCSA-N 2 2 297.403 0.703 20 0 CCADLP CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+]Cc1nc(C)no1 ZINC001444043417 929773184 /nfs/dbraw/zinc/77/31/84/929773184.db2.gz RXJIVHPIFVZDQY-GFCCVEGCSA-N 2 2 297.403 0.703 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1ccon1 ZINC001444423357 929866486 /nfs/dbraw/zinc/86/64/86/929866486.db2.gz RWEOSLBCEXHIGK-NSHDSACASA-N 2 2 277.328 0.413 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC001372677381 929910750 /nfs/dbraw/zinc/91/07/50/929910750.db2.gz DSJDZQWQFRQVGV-UONOGXRCSA-N 2 2 292.383 0.358 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001372677381 929910762 /nfs/dbraw/zinc/91/07/62/929910762.db2.gz DSJDZQWQFRQVGV-UONOGXRCSA-N 2 2 292.383 0.358 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccon1 ZINC001444733282 929942906 /nfs/dbraw/zinc/94/29/06/929942906.db2.gz TYFIJOSJMJWZSZ-NSHDSACASA-N 2 2 291.355 0.816 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC001445205614 930065617 /nfs/dbraw/zinc/06/56/17/930065617.db2.gz KZIBINKLIOXXIN-CYBMUJFWSA-N 2 2 282.413 0.814 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](O)C[NH2+]CC1CCCC1 ZINC001445282113 930086738 /nfs/dbraw/zinc/08/67/38/930086738.db2.gz XGAGLTYZVXVOAT-AWEZNQCLSA-N 2 2 294.399 0.220 20 0 CCADLP COC[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001373299214 930134261 /nfs/dbraw/zinc/13/42/61/930134261.db2.gz DRCRROAQVGEIRU-QWHCGFSZSA-N 2 2 294.399 0.767 20 0 CCADLP COC[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001373299214 930134265 /nfs/dbraw/zinc/13/42/65/930134265.db2.gz DRCRROAQVGEIRU-QWHCGFSZSA-N 2 2 294.399 0.767 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC1C[NH+](C[C@H]2CCOC2)C1 ZINC001373510082 930225445 /nfs/dbraw/zinc/22/54/45/930225445.db2.gz OKRMMWDJRXAMLZ-GFCCVEGCSA-N 2 2 292.383 0.427 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC1C[NH+](C[C@H]2CCOC2)C1 ZINC001373510082 930225455 /nfs/dbraw/zinc/22/54/55/930225455.db2.gz OKRMMWDJRXAMLZ-GFCCVEGCSA-N 2 2 292.383 0.427 20 0 CCADLP C[C@H](C[N@H+](C)CCF)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001445756281 930237272 /nfs/dbraw/zinc/23/72/72/930237272.db2.gz DCFCCWGQUAVWTG-NEPJUHHUSA-N 2 2 282.363 0.852 20 0 CCADLP C[C@H](C[N@@H+](C)CCF)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001445756281 930237284 /nfs/dbraw/zinc/23/72/84/930237284.db2.gz DCFCCWGQUAVWTG-NEPJUHHUSA-N 2 2 282.363 0.852 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[N@H+](C)CCCO)c[nH+]1 ZINC001445752707 930237412 /nfs/dbraw/zinc/23/74/12/930237412.db2.gz NFAXXWXGHVBSFR-CYBMUJFWSA-N 2 2 296.415 0.746 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[N@@H+](C)CCCO)c[nH+]1 ZINC001445752707 930237419 /nfs/dbraw/zinc/23/74/19/930237419.db2.gz NFAXXWXGHVBSFR-CYBMUJFWSA-N 2 2 296.415 0.746 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC1C[NH+](CCOC(C)C)C1 ZINC001373550791 930242714 /nfs/dbraw/zinc/24/27/14/930242714.db2.gz CVQOZPAKFLKRED-UHFFFAOYSA-N 2 2 294.399 0.734 20 0 CCADLP CCN(C(=O)CCn1cc[nH+]c1)[C@@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001373708650 930307668 /nfs/dbraw/zinc/30/76/68/930307668.db2.gz IYTAFXCSDQVSFR-ZIAGYGMSSA-N 2 2 294.399 0.577 20 0 CCADLP CCN(C(=O)CCn1cc[nH+]c1)[C@@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001373708650 930307678 /nfs/dbraw/zinc/30/76/78/930307678.db2.gz IYTAFXCSDQVSFR-ZIAGYGMSSA-N 2 2 294.399 0.577 20 0 CCADLP CC[C@H](C[N@H+]1CC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C)OC ZINC001446129760 930340437 /nfs/dbraw/zinc/34/04/37/930340437.db2.gz ZRODNMLKHFQJDI-CHWSQXEVSA-N 2 2 294.399 0.876 20 0 CCADLP Cc1cnc(C[NH2+]C2(CNC(=O)[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC001446150422 930350937 /nfs/dbraw/zinc/35/09/37/930350937.db2.gz AGHFGKKCPZPRJL-LBPRGKRZSA-N 2 2 292.383 0.816 20 0 CCADLP Cc1cnc(C[NH2+]C2(CNC(=O)[C@@H]3CCC[N@@H+]3C)CC2)o1 ZINC001446150422 930350945 /nfs/dbraw/zinc/35/09/45/930350945.db2.gz AGHFGKKCPZPRJL-LBPRGKRZSA-N 2 2 292.383 0.816 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CCCC1 ZINC001446498175 930418994 /nfs/dbraw/zinc/41/89/94/930418994.db2.gz KFTSFIGGRXWJHZ-AAEUAGOBSA-N 2 2 294.399 0.598 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1ncccn1 ZINC001374115887 930426096 /nfs/dbraw/zinc/42/60/96/930426096.db2.gz UICABKQZPHOXIV-GFCCVEGCSA-N 2 2 288.355 0.215 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@](C)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001446543379 930433189 /nfs/dbraw/zinc/43/31/89/930433189.db2.gz WUDZCVZBFPZWAX-WFASDCNBSA-N 2 2 294.399 0.958 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@](C)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001446543379 930433203 /nfs/dbraw/zinc/43/32/03/930433203.db2.gz WUDZCVZBFPZWAX-WFASDCNBSA-N 2 2 294.399 0.958 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@](C)(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001446543379 930433214 /nfs/dbraw/zinc/43/32/14/930433214.db2.gz WUDZCVZBFPZWAX-WFASDCNBSA-N 2 2 294.399 0.958 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@](C)(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001446543379 930433218 /nfs/dbraw/zinc/43/32/18/930433218.db2.gz WUDZCVZBFPZWAX-WFASDCNBSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@]1(NC(=O)CCCn2cc[nH+]c2)CC[N@H+](CCCO)C1 ZINC001446554256 930434264 /nfs/dbraw/zinc/43/42/64/930434264.db2.gz PEYBVSKLESAJOY-HNNXBMFYSA-N 2 2 294.399 0.626 20 0 CCADLP C[C@]1(NC(=O)CCCn2cc[nH+]c2)CC[N@@H+](CCCO)C1 ZINC001446554256 930434272 /nfs/dbraw/zinc/43/42/72/930434272.db2.gz PEYBVSKLESAJOY-HNNXBMFYSA-N 2 2 294.399 0.626 20 0 CCADLP CC[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001446849034 930501501 /nfs/dbraw/zinc/50/15/01/930501501.db2.gz IUMCEPPYUWBQMC-UONOGXRCSA-N 2 2 297.443 0.680 20 0 CCADLP CC[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001446849034 930501510 /nfs/dbraw/zinc/50/15/10/930501510.db2.gz IUMCEPPYUWBQMC-UONOGXRCSA-N 2 2 297.443 0.680 20 0 CCADLP CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001446895146 930514505 /nfs/dbraw/zinc/51/45/05/930514505.db2.gz OZPQBKPCEGYWEE-AWEZNQCLSA-N 2 2 297.443 0.822 20 0 CCADLP CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001446895146 930514512 /nfs/dbraw/zinc/51/45/12/930514512.db2.gz OZPQBKPCEGYWEE-AWEZNQCLSA-N 2 2 297.443 0.822 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1(O)C[NH+](CC2CCCC2)C1 ZINC001446923534 930519299 /nfs/dbraw/zinc/51/92/99/930519299.db2.gz ONICEPHAWJLXOE-UHFFFAOYSA-N 2 2 292.383 0.236 20 0 CCADLP C[C@@H](O)C[N@H+](C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001447354486 930614981 /nfs/dbraw/zinc/61/49/81/930614981.db2.gz MQKYVYCBPZRCFD-QWHCGFSZSA-N 2 2 296.415 0.749 20 0 CCADLP C[C@@H](O)C[N@@H+](C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001447354486 930614985 /nfs/dbraw/zinc/61/49/85/930614985.db2.gz MQKYVYCBPZRCFD-QWHCGFSZSA-N 2 2 296.415 0.749 20 0 CCADLP C[C@@H](O)C[N@H+](C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001447354486 930614995 /nfs/dbraw/zinc/61/49/95/930614995.db2.gz MQKYVYCBPZRCFD-QWHCGFSZSA-N 2 2 296.415 0.749 20 0 CCADLP C[C@@H](O)C[N@@H+](C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001447354486 930615002 /nfs/dbraw/zinc/61/50/02/930615002.db2.gz MQKYVYCBPZRCFD-QWHCGFSZSA-N 2 2 296.415 0.749 20 0 CCADLP Cc1ncoc1C[NH2+]C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001374918955 930724918 /nfs/dbraw/zinc/72/49/18/930724918.db2.gz CBTXFQDXBALKRB-NSHDSACASA-N 2 2 291.355 0.864 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[NH2+]C[C@@H]1CCOC1 ZINC001374966536 930737194 /nfs/dbraw/zinc/73/71/94/930737194.db2.gz VVRHYGDSQITVKO-JQWIXIFHSA-N 2 2 280.372 0.391 20 0 CCADLP C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H](C)[NH2+]CCO ZINC001447892257 930747664 /nfs/dbraw/zinc/74/76/64/930747664.db2.gz XJUFIAVPCJASTM-NXEZZACHSA-N 2 2 276.340 0.652 20 0 CCADLP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@@H+]1Cc1ccccn1 ZINC001375372312 930865903 /nfs/dbraw/zinc/86/59/03/930865903.db2.gz BVVSBRVTYQHDLQ-OAHLLOKOSA-N 2 2 288.395 0.868 20 0 CCADLP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@H+]1Cc1ccccn1 ZINC001375372312 930865908 /nfs/dbraw/zinc/86/59/08/930865908.db2.gz BVVSBRVTYQHDLQ-OAHLLOKOSA-N 2 2 288.395 0.868 20 0 CCADLP C[C@H](O)C[NH+]1CC([C@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001448304167 930870927 /nfs/dbraw/zinc/87/09/27/930870927.db2.gz LMADFLIVVKDRRZ-QWRGUYRKSA-N 2 2 280.372 0.160 20 0 CCADLP C[C@H](O)C[NH+]1CC([C@H](C)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001448304167 930870933 /nfs/dbraw/zinc/87/09/33/930870933.db2.gz LMADFLIVVKDRRZ-QWRGUYRKSA-N 2 2 280.372 0.160 20 0 CCADLP C[C@H](NC(=O)Cn1cc[nH+]c1)C1C[NH+](C[C@H]2CCOC2)C1 ZINC001448328592 930875196 /nfs/dbraw/zinc/87/51/96/930875196.db2.gz BCORSPWHEFNHPX-QWHCGFSZSA-N 2 2 292.383 0.356 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]Cc2cnon2)CC1 ZINC001375458104 930889581 /nfs/dbraw/zinc/88/95/81/930889581.db2.gz LQQFRPDIMIFLMO-LBPRGKRZSA-N 2 2 293.371 0.292 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]Cc2cnon2)CC1 ZINC001375458104 930889588 /nfs/dbraw/zinc/88/95/88/930889588.db2.gz LQQFRPDIMIFLMO-LBPRGKRZSA-N 2 2 293.371 0.292 20 0 CCADLP Cc1cnc(C[NH2+]C2(CNC(=O)C[NH+]3CCCC3)CC2)o1 ZINC001375546323 930911929 /nfs/dbraw/zinc/91/19/29/930911929.db2.gz WGFMYTFAOKFRFM-UHFFFAOYSA-N 2 2 292.383 0.817 20 0 CCADLP C[C@@H]1[C@@H]([NH2+]CCO)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001448983206 931041054 /nfs/dbraw/zinc/04/10/54/931041054.db2.gz ZHDSDALVKJSIFQ-OLZOCXBDSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnsn2)CN1C(=O)CC[NH+](C)C ZINC001449035149 931054627 /nfs/dbraw/zinc/05/46/27/931054627.db2.gz UWODGJPZFBAMJF-GHMZBOCLSA-N 2 2 297.428 0.569 20 0 CCADLP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC001449074263 931062770 /nfs/dbraw/zinc/06/27/70/931062770.db2.gz FLZUOFBHXBSCKI-QWHCGFSZSA-N 2 2 294.399 0.745 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccn(C)n2)C1 ZINC001376149538 931068850 /nfs/dbraw/zinc/06/88/50/931068850.db2.gz DJEKDSIBHHLTEC-CYBMUJFWSA-N 2 2 293.415 0.452 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccn(C)n2)C1 ZINC001376149538 931068856 /nfs/dbraw/zinc/06/88/56/931068856.db2.gz DJEKDSIBHHLTEC-CYBMUJFWSA-N 2 2 293.415 0.452 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC001376149538 931068864 /nfs/dbraw/zinc/06/88/64/931068864.db2.gz DJEKDSIBHHLTEC-CYBMUJFWSA-N 2 2 293.415 0.452 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001376149538 931068871 /nfs/dbraw/zinc/06/88/71/931068871.db2.gz DJEKDSIBHHLTEC-CYBMUJFWSA-N 2 2 293.415 0.452 20 0 CCADLP CN(C[C@@H](O)C[NH2+]CC1CC1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001449161277 931087167 /nfs/dbraw/zinc/08/71/67/931087167.db2.gz OIPOIDIPKNLIHM-LBPRGKRZSA-N 2 2 294.399 0.506 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C[NH2+]C[C@@H](C)O)C(C)(C)C ZINC001449329127 931126666 /nfs/dbraw/zinc/12/66/66/931126666.db2.gz PIKUBXGPPHTPFA-ZWNOBZJWSA-N 2 2 296.415 0.762 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001376406429 931141418 /nfs/dbraw/zinc/14/14/18/931141418.db2.gz IXUUCBKOSLXFQG-IJLUTSLNSA-N 2 2 280.372 0.234 20 0 CCADLP O=C(C[NH+]1CCCC1)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001450061779 931226244 /nfs/dbraw/zinc/22/62/44/931226244.db2.gz IXOZULALTVZIJS-RYUDHWBXSA-N 2 2 255.337 0.337 20 0 CCADLP O=C(C[NH+]1CCCC1)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001450061779 931226252 /nfs/dbraw/zinc/22/62/52/931226252.db2.gz IXOZULALTVZIJS-RYUDHWBXSA-N 2 2 255.337 0.337 20 0 CCADLP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@H](C)c1nnc(C)o1 ZINC001376839981 931300837 /nfs/dbraw/zinc/30/08/37/931300837.db2.gz KDVSWIVVDQWNAH-WDEREUQCSA-N 2 2 297.403 0.875 20 0 CCADLP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+][C@H](C)c1nnc(C)o1 ZINC001376839981 931300840 /nfs/dbraw/zinc/30/08/40/931300840.db2.gz KDVSWIVVDQWNAH-WDEREUQCSA-N 2 2 297.403 0.875 20 0 CCADLP C[C@@H](CCNC(=O)Cc1c[nH+]cn1C)[NH2+]C[C@H]1CCOC1 ZINC001377108737 931384662 /nfs/dbraw/zinc/38/46/62/931384662.db2.gz VUFHSCXLEQCVPY-QWHCGFSZSA-N 2 2 294.399 0.484 20 0 CCADLP C[C@H](CN1CCOCC1)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000091512387 349466052 /nfs/dbraw/zinc/46/60/52/349466052.db2.gz IFOPAMPXGWTRJI-HZPDHXFCSA-N 2 2 297.443 0.361 20 0 CCADLP C[C@H](CN1CCOCC1)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000091512387 349466056 /nfs/dbraw/zinc/46/60/56/349466056.db2.gz IFOPAMPXGWTRJI-HZPDHXFCSA-N 2 2 297.443 0.361 20 0 CCADLP C[NH+](C)CCC1CC[NH+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000091541675 349466716 /nfs/dbraw/zinc/46/67/16/349466716.db2.gz OBJUMLQYURJBOE-UHFFFAOYSA-N 2 2 253.350 0.262 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)CC[NH+]1CCCC1 ZINC000091576775 349467643 /nfs/dbraw/zinc/46/76/43/349467643.db2.gz YFJONDURYJUGEU-CQSZACIVSA-N 2 2 255.406 0.735 20 0 CCADLP CSC[C@@H](O)C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000599623579 361761901 /nfs/dbraw/zinc/76/19/01/361761901.db2.gz UDOLOVWRATZARR-ZDUSSCGKSA-N 2 2 288.457 0.897 20 0 CCADLP CSC[C@@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000093191201 349531006 /nfs/dbraw/zinc/53/10/06/349531006.db2.gz PUFOYBVUUWJQDR-LBPRGKRZSA-N 2 2 271.430 0.588 20 0 CCADLP CSC[C@@H]1CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000093191201 349531008 /nfs/dbraw/zinc/53/10/08/349531008.db2.gz PUFOYBVUUWJQDR-LBPRGKRZSA-N 2 2 271.430 0.588 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCOC3(CCC3)C2)CC1 ZINC000093256665 349533561 /nfs/dbraw/zinc/53/35/61/349533561.db2.gz QSTRVRPNEDJBOD-UHFFFAOYSA-N 2 2 267.373 0.015 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCOC3(CCC3)C2)CC1 ZINC000093256665 349533563 /nfs/dbraw/zinc/53/35/63/349533563.db2.gz QSTRVRPNEDJBOD-UHFFFAOYSA-N 2 2 267.373 0.015 20 0 CCADLP CCOCC[N@H+](C)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000093312988 349536605 /nfs/dbraw/zinc/53/66/05/349536605.db2.gz KTKMOJCAQVVFFG-CYBMUJFWSA-N 2 2 271.405 0.507 20 0 CCADLP CCOCC[N@@H+](C)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000093312988 349536609 /nfs/dbraw/zinc/53/66/09/349536609.db2.gz KTKMOJCAQVVFFG-CYBMUJFWSA-N 2 2 271.405 0.507 20 0 CCADLP C1=C(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)COCC1 ZINC000093665189 349549496 /nfs/dbraw/zinc/54/94/96/349549496.db2.gz WDSSWROFRBNERI-CQSZACIVSA-N 2 2 266.385 0.987 20 0 CCADLP C1=C(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)COCC1 ZINC000093665189 349549499 /nfs/dbraw/zinc/54/94/99/349549499.db2.gz WDSSWROFRBNERI-CQSZACIVSA-N 2 2 266.385 0.987 20 0 CCADLP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]2C[NH3+])C1 ZINC000093697613 349551493 /nfs/dbraw/zinc/55/14/93/349551493.db2.gz SANPBTZTVPNNSC-VXGBXAGGSA-N 2 2 275.418 0.081 20 0 CCADLP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]2C[NH3+])C1 ZINC000093697613 349551494 /nfs/dbraw/zinc/55/14/94/349551494.db2.gz SANPBTZTVPNNSC-VXGBXAGGSA-N 2 2 275.418 0.081 20 0 CCADLP C[NH+](C)C[C@@](C)(O)CNc1cc(N2CCCC2)nc[nH+]1 ZINC000277824697 282130481 /nfs/dbraw/zinc/13/04/81/282130481.db2.gz PEGHEWYDGNVKNI-AWEZNQCLSA-N 2 2 279.388 0.801 20 0 CCADLP C[NH+](C)C[C@@](C)(O)CNc1cc(N2CCCC2)[nH+]cn1 ZINC000277824697 282130486 /nfs/dbraw/zinc/13/04/86/282130486.db2.gz PEGHEWYDGNVKNI-AWEZNQCLSA-N 2 2 279.388 0.801 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422977355 282133011 /nfs/dbraw/zinc/13/30/11/282133011.db2.gz JUOAUKFYTLYITN-APIJFGDWSA-N 3 2 269.433 0.809 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@H](C)[NH2+]C2CC2)C[C@H]1[NH+]1CCOCC1 ZINC000449143626 529376985 /nfs/dbraw/zinc/37/69/85/529376985.db2.gz WYVWPDLDKJYMPH-GZBFAFLISA-N 2 2 295.427 0.696 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)C2CC[NH+](C)CC2)CCO1 ZINC000428067033 529390775 /nfs/dbraw/zinc/39/07/75/529390775.db2.gz PPZDBWYWZVMNRF-CQSZACIVSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)C2CC[NH+](C)CC2)CCO1 ZINC000428067033 529390778 /nfs/dbraw/zinc/39/07/78/529390778.db2.gz PPZDBWYWZVMNRF-CQSZACIVSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)[C@H]2CCC[NH+]2C2CC2)CCO1 ZINC000428078035 529392717 /nfs/dbraw/zinc/39/27/17/529392717.db2.gz YTJMXBQEYUIDNZ-HUUCEWRRSA-N 2 2 295.427 0.840 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CCC[NH+]2C2CC2)CCO1 ZINC000428078035 529392719 /nfs/dbraw/zinc/39/27/19/529392719.db2.gz YTJMXBQEYUIDNZ-HUUCEWRRSA-N 2 2 295.427 0.840 20 0 CCADLP CC[C@@H]1C[NH+](CCNC(=O)[C@H]2CCC[N@@H+]2C2CC2)CCO1 ZINC000428078035 529392721 /nfs/dbraw/zinc/39/27/21/529392721.db2.gz YTJMXBQEYUIDNZ-HUUCEWRRSA-N 2 2 295.427 0.840 20 0 CCADLP CC[C@@H]1C[NH+](CCNC(=O)[C@H]2CCC[N@H+]2C2CC2)CCO1 ZINC000428078035 529392722 /nfs/dbraw/zinc/39/27/22/529392722.db2.gz YTJMXBQEYUIDNZ-HUUCEWRRSA-N 2 2 295.427 0.840 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000101531291 349663841 /nfs/dbraw/zinc/66/38/41/349663841.db2.gz YMBHGRKVQVBTKY-UHFFFAOYSA-N 2 2 297.403 0.823 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000101531291 349663844 /nfs/dbraw/zinc/66/38/44/349663844.db2.gz YMBHGRKVQVBTKY-UHFFFAOYSA-N 2 2 297.403 0.823 20 0 CCADLP CC[C@@]1(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)CCC[NH2+]1 ZINC000423934273 529518923 /nfs/dbraw/zinc/51/89/23/529518923.db2.gz VGNGODGNDGYUSQ-GUTXKFCHSA-N 2 2 281.400 0.450 20 0 CCADLP CC[C@@]1(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)CCC[NH2+]1 ZINC000423934273 529518925 /nfs/dbraw/zinc/51/89/25/529518925.db2.gz VGNGODGNDGYUSQ-GUTXKFCHSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NCC(F)(F)F)C1 ZINC000104426139 349716903 /nfs/dbraw/zinc/71/69/03/349716903.db2.gz OLEUXAVAIXHBER-RKDXNWHRSA-N 2 2 267.295 0.724 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NCC(F)(F)F)C1 ZINC000104426139 349716904 /nfs/dbraw/zinc/71/69/04/349716904.db2.gz OLEUXAVAIXHBER-RKDXNWHRSA-N 2 2 267.295 0.724 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NCC(C)C)C2)CC1 ZINC000107371304 349737137 /nfs/dbraw/zinc/73/71/37/349737137.db2.gz RRBYGXVOTOUGFE-OAHLLOKOSA-N 2 2 296.459 0.470 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NCC(C)C)C2)CC1 ZINC000107371304 349737139 /nfs/dbraw/zinc/73/71/39/349737139.db2.gz RRBYGXVOTOUGFE-OAHLLOKOSA-N 2 2 296.459 0.470 20 0 CCADLP CC1CCC(NC(=O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000107579226 349738843 /nfs/dbraw/zinc/73/88/43/349738843.db2.gz DAFHCBAMNMWNNR-QPPOZKHWSA-N 2 2 265.401 0.833 20 0 CCADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCc2sccc2C1 ZINC000107577082 349738866 /nfs/dbraw/zinc/73/88/66/349738866.db2.gz DLPRALJPRQKUGL-STQMWFEESA-N 2 2 291.420 0.784 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000107576126 349739024 /nfs/dbraw/zinc/73/90/24/349739024.db2.gz RLEMKRXVTXOPFO-JHJVBQTASA-N 2 2 251.374 0.396 20 0 CCADLP CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1)[NH+](C)C ZINC000412368073 529608370 /nfs/dbraw/zinc/60/83/70/529608370.db2.gz MSNUQEDBCHEJSK-QWHCGFSZSA-N 2 2 299.415 0.328 20 0 CCADLP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)OC)C1)[NH+](C)C ZINC000412368073 529608373 /nfs/dbraw/zinc/60/83/73/529608373.db2.gz MSNUQEDBCHEJSK-QWHCGFSZSA-N 2 2 299.415 0.328 20 0 CCADLP C[C@H]1C[NH2+]CCN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000126249964 187227618 /nfs/dbraw/zinc/22/76/18/187227618.db2.gz JTUXTHBTLPQTSO-NSHDSACASA-N 2 2 271.324 0.701 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC(=O)NCC1CC1 ZINC000371294108 282215158 /nfs/dbraw/zinc/21/51/58/282215158.db2.gz JBTMASCGIDYQPL-KFWWJZLASA-N 2 2 295.427 0.696 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC(=O)NCC1CC1 ZINC000371294108 282215162 /nfs/dbraw/zinc/21/51/62/282215162.db2.gz JBTMASCGIDYQPL-KFWWJZLASA-N 2 2 295.427 0.696 20 0 CCADLP c1cn([C@H]2CCC[N@@H+](CCN3CCOCC3)C2)c[nH+]1 ZINC000600635761 362026002 /nfs/dbraw/zinc/02/60/02/362026002.db2.gz CNRRVFUZXBTITL-AWEZNQCLSA-N 2 2 264.373 0.852 20 0 CCADLP c1cn([C@H]2CCC[N@H+](CCN3CCOCC3)C2)c[nH+]1 ZINC000600635761 362026004 /nfs/dbraw/zinc/02/60/04/362026004.db2.gz CNRRVFUZXBTITL-AWEZNQCLSA-N 2 2 264.373 0.852 20 0 CCADLP COC(=O)CCNC(=O)CC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000600712620 362043251 /nfs/dbraw/zinc/04/32/51/362043251.db2.gz ZFVGKMDQEACLSV-NWDGAFQWSA-N 2 2 285.388 0.176 20 0 CCADLP COCc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)o1 ZINC000600769009 362057711 /nfs/dbraw/zinc/05/77/11/362057711.db2.gz IYUGSNLJVHFKDD-ZWNOBZJWSA-N 2 2 279.340 0.170 20 0 CCADLP COCc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)o1 ZINC000600769009 362057716 /nfs/dbraw/zinc/05/77/16/362057716.db2.gz IYUGSNLJVHFKDD-ZWNOBZJWSA-N 2 2 279.340 0.170 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[NH+]2C[C@H](C)OC[C@H]2C)CC[N@@H+]1C ZINC000617720404 365726901 /nfs/dbraw/zinc/72/69/01/365726901.db2.gz BZYMZRHJPODVIV-XJFOESAGSA-N 2 2 283.416 0.552 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[NH+]2C[C@H](C)OC[C@H]2C)CC[N@H+]1C ZINC000617720404 365726908 /nfs/dbraw/zinc/72/69/08/365726908.db2.gz BZYMZRHJPODVIV-XJFOESAGSA-N 2 2 283.416 0.552 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)CC[NH+]1C ZINC000617720404 365726914 /nfs/dbraw/zinc/72/69/14/365726914.db2.gz BZYMZRHJPODVIV-XJFOESAGSA-N 2 2 283.416 0.552 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)CC[NH+]1C ZINC000617720404 365726924 /nfs/dbraw/zinc/72/69/24/365726924.db2.gz BZYMZRHJPODVIV-XJFOESAGSA-N 2 2 283.416 0.552 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601334475 362231557 /nfs/dbraw/zinc/23/15/57/362231557.db2.gz LBETVFBASKNTAI-QWHCGFSZSA-N 2 2 296.415 0.542 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601334475 362231561 /nfs/dbraw/zinc/23/15/61/362231561.db2.gz LBETVFBASKNTAI-QWHCGFSZSA-N 2 2 296.415 0.542 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000156828313 136386832 /nfs/dbraw/zinc/38/68/32/136386832.db2.gz FXIWKLCECYROJE-RYUDHWBXSA-N 2 2 292.383 0.518 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC2CCCC2)C1 ZINC000113515921 349815171 /nfs/dbraw/zinc/81/51/71/349815171.db2.gz XVYUIKXOWJJDFH-GFCCVEGCSA-N 2 2 253.390 0.929 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC000113515921 349815174 /nfs/dbraw/zinc/81/51/74/349815174.db2.gz XVYUIKXOWJJDFH-GFCCVEGCSA-N 2 2 253.390 0.929 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCCCC2)C1 ZINC000113514925 349815385 /nfs/dbraw/zinc/81/53/85/349815385.db2.gz WFYPRJACLJADSK-CYBMUJFWSA-N 2 2 253.390 0.882 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC000113514925 349815390 /nfs/dbraw/zinc/81/53/90/349815390.db2.gz WFYPRJACLJADSK-CYBMUJFWSA-N 2 2 253.390 0.882 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113515160 349815672 /nfs/dbraw/zinc/81/56/72/349815672.db2.gz FLOWFKTWCXILCG-CQSZACIVSA-N 2 2 285.432 0.803 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113515160 349815675 /nfs/dbraw/zinc/81/56/75/349815675.db2.gz FLOWFKTWCXILCG-CQSZACIVSA-N 2 2 285.432 0.803 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cncc(O)c1 ZINC000617764066 365765623 /nfs/dbraw/zinc/76/56/23/365765623.db2.gz HPFSZFIEKUOXBC-UHFFFAOYSA-N 2 2 280.372 0.401 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cncc(O)c1 ZINC000617764066 365765629 /nfs/dbraw/zinc/76/56/29/365765629.db2.gz HPFSZFIEKUOXBC-UHFFFAOYSA-N 2 2 280.372 0.401 20 0 CCADLP Cc1nccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000617767516 365773337 /nfs/dbraw/zinc/77/33/37/365773337.db2.gz YQPVQJBQZYJKEF-UHFFFAOYSA-N 2 2 279.388 0.398 20 0 CCADLP Cc1nccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000617767516 365773342 /nfs/dbraw/zinc/77/33/42/365773342.db2.gz YQPVQJBQZYJKEF-UHFFFAOYSA-N 2 2 279.388 0.398 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000423740726 529789671 /nfs/dbraw/zinc/78/96/71/529789671.db2.gz GYCCGBXUIRVMMJ-MGPQQGTHSA-N 2 2 283.416 0.731 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000423740726 529789672 /nfs/dbraw/zinc/78/96/72/529789672.db2.gz GYCCGBXUIRVMMJ-MGPQQGTHSA-N 2 2 283.416 0.731 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@](C)(O)C2)n1C ZINC000425334166 529807417 /nfs/dbraw/zinc/80/74/17/529807417.db2.gz GPPPKLNOMGHICP-ZDUSSCGKSA-N 2 2 252.362 0.833 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@](C)(O)C2)n1C ZINC000425334166 529807418 /nfs/dbraw/zinc/80/74/18/529807418.db2.gz GPPPKLNOMGHICP-ZDUSSCGKSA-N 2 2 252.362 0.833 20 0 CCADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)C=Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC000493115101 529821635 /nfs/dbraw/zinc/82/16/35/529821635.db2.gz IEIRWNFKCKOMFG-SOHMCZBRSA-N 2 2 260.341 0.976 20 0 CCADLP C[N@H+]1C[C@@H]2CCCN(C(=O)C=Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC000493115101 529821636 /nfs/dbraw/zinc/82/16/36/529821636.db2.gz IEIRWNFKCKOMFG-SOHMCZBRSA-N 2 2 260.341 0.976 20 0 CCADLP CN1C[C@@H](C[N@H+](C)CCC[NH+]2CCCC2)OC1=O ZINC000495724112 529886483 /nfs/dbraw/zinc/88/64/83/529886483.db2.gz ABEDGYMMURXJIY-GFCCVEGCSA-N 2 2 255.362 0.855 20 0 CCADLP CN1C[C@@H](C[N@@H+](C)CCC[NH+]2CCCC2)OC1=O ZINC000495724112 529886484 /nfs/dbraw/zinc/88/64/84/529886484.db2.gz ABEDGYMMURXJIY-GFCCVEGCSA-N 2 2 255.362 0.855 20 0 CCADLP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cnn(C)c1 ZINC000305159269 201722279 /nfs/dbraw/zinc/72/22/79/201722279.db2.gz WQAHFNYUXUAACD-KGLIPLIRSA-N 2 2 266.389 0.918 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)n1C ZINC000419723676 282320746 /nfs/dbraw/zinc/32/07/46/282320746.db2.gz GGSHIZYQVRJIMS-YPMHNXCESA-N 2 2 298.431 0.734 20 0 CCADLP C[NH2+]CCCNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000418278427 529967681 /nfs/dbraw/zinc/96/76/81/529967681.db2.gz LXXQBCLZGWYVJZ-UHFFFAOYSA-N 2 2 277.372 0.523 20 0 CCADLP COC(=O)c1cn([C@@H]2CC[N@H+](CC34CC(C3)C[NH2+]4)C2)nn1 ZINC000602020342 362461379 /nfs/dbraw/zinc/46/13/79/362461379.db2.gz JXWNKOUTMDOYPT-IQLKVPPVSA-N 2 2 291.355 0.064 20 0 CCADLP COC(=O)c1cn([C@@H]2CC[N@@H+](CC34CC(C3)C[NH2+]4)C2)nn1 ZINC000602020342 362461387 /nfs/dbraw/zinc/46/13/87/362461387.db2.gz JXWNKOUTMDOYPT-IQLKVPPVSA-N 2 2 291.355 0.064 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@]3(CCOC3)C2)CC1 ZINC000451908178 530068030 /nfs/dbraw/zinc/06/80/30/530068030.db2.gz VXDKPFOQICJBDJ-OAHLLOKOSA-N 2 2 281.400 0.263 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@]3(CCOC3)C2)CC1 ZINC000451908178 530068031 /nfs/dbraw/zinc/06/80/31/530068031.db2.gz VXDKPFOQICJBDJ-OAHLLOKOSA-N 2 2 281.400 0.263 20 0 CCADLP CONC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000119076374 349918355 /nfs/dbraw/zinc/91/83/55/349918355.db2.gz UGXLMMYDNZWWKK-UHFFFAOYSA-N 2 2 284.404 0.797 20 0 CCADLP Cc1cc(NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc[nH+]1 ZINC000358484089 232110599 /nfs/dbraw/zinc/11/05/99/232110599.db2.gz XQZUDFZQRZDTFH-ZDUSSCGKSA-N 2 2 264.329 0.000 20 0 CCADLP Cc1cc(NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc[nH+]1 ZINC000358484089 232110601 /nfs/dbraw/zinc/11/06/01/232110601.db2.gz XQZUDFZQRZDTFH-ZDUSSCGKSA-N 2 2 264.329 0.000 20 0 CCADLP CC[NH+](CC)CC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244721 412521141 /nfs/dbraw/zinc/52/11/41/412521141.db2.gz SZEOIQMBLVOEFY-MELADBBJSA-N 2 2 285.432 0.942 20 0 CCADLP CC[NH+](CC)CC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244721 412521144 /nfs/dbraw/zinc/52/11/44/412521144.db2.gz SZEOIQMBLVOEFY-MELADBBJSA-N 2 2 285.432 0.942 20 0 CCADLP CCOC(=O)c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)[nH]1 ZINC000602491618 362642364 /nfs/dbraw/zinc/64/23/64/362642364.db2.gz BSLHISUARVIDBT-PHIMTYICSA-N 2 2 263.341 0.843 20 0 CCADLP CCOC(=O)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)[nH]1 ZINC000602491618 362642369 /nfs/dbraw/zinc/64/23/69/362642369.db2.gz BSLHISUARVIDBT-PHIMTYICSA-N 2 2 263.341 0.843 20 0 CCADLP Cc1ccc(CCC[NH2+]CCN2CCCS2(=O)=O)c[nH+]1 ZINC000684376239 545659019 /nfs/dbraw/zinc/65/90/19/545659019.db2.gz HLLAJHHRBZKDTE-UHFFFAOYSA-N 2 2 297.424 0.948 20 0 CCADLP CCc1nocc1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000339204316 215013789 /nfs/dbraw/zinc/01/37/89/215013789.db2.gz VTKPPSPBNVKLNN-LBPRGKRZSA-N 2 2 253.346 0.783 20 0 CCADLP FC1(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000684378845 545660423 /nfs/dbraw/zinc/66/04/23/545660423.db2.gz SNXZKLRANWRZMY-ZDUSSCGKSA-N 2 2 271.380 0.485 20 0 CCADLP CC[C@H](C(=O)NCC[NH+](C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000339236159 215031964 /nfs/dbraw/zinc/03/19/64/215031964.db2.gz RNMIDWLHQGQMCT-CHWSQXEVSA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@H](C(=O)NCC[NH+](C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000339236159 215031966 /nfs/dbraw/zinc/03/19/66/215031966.db2.gz RNMIDWLHQGQMCT-CHWSQXEVSA-N 2 2 271.405 0.554 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000533810825 290800673 /nfs/dbraw/zinc/80/06/73/290800673.db2.gz HGDVGQZFBZUWGZ-UHFFFAOYSA-N 2 2 267.398 0.954 20 0 CCADLP CCOC(=O)[C@H]([NH2+]CCc1c[nH+]cn1C)C1CCOCC1 ZINC000602807725 362810940 /nfs/dbraw/zinc/81/09/40/362810940.db2.gz KLABGHZOMJCNQI-CQSZACIVSA-N 2 2 295.383 0.911 20 0 CCADLP CCCS(=O)(=O)CC[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000261540656 137007269 /nfs/dbraw/zinc/00/72/69/137007269.db2.gz GXECOJGKIFTRIW-VXGBXAGGSA-N 2 2 262.419 0.728 20 0 CCADLP CCCS(=O)(=O)CC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000261540656 137007270 /nfs/dbraw/zinc/00/72/70/137007270.db2.gz GXECOJGKIFTRIW-VXGBXAGGSA-N 2 2 262.419 0.728 20 0 CCADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261576556 137009638 /nfs/dbraw/zinc/00/96/38/137009638.db2.gz NTEDMTUJDMEVTK-RWMBFGLXSA-N 2 2 253.390 0.831 20 0 CCADLP CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261576556 137009639 /nfs/dbraw/zinc/00/96/39/137009639.db2.gz NTEDMTUJDMEVTK-RWMBFGLXSA-N 2 2 253.390 0.831 20 0 CCADLP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261580369 137010076 /nfs/dbraw/zinc/01/00/76/137010076.db2.gz PZGROSHELQJWMD-NWDGAFQWSA-N 2 2 253.390 0.975 20 0 CCADLP CCC(C)(C)NC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261580369 137010077 /nfs/dbraw/zinc/01/00/77/137010077.db2.gz PZGROSHELQJWMD-NWDGAFQWSA-N 2 2 253.390 0.975 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261610370 137012207 /nfs/dbraw/zinc/01/22/07/137012207.db2.gz BEMCLPYJPIRNQV-BZPMIXESSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261610370 137012208 /nfs/dbraw/zinc/01/22/08/137012208.db2.gz BEMCLPYJPIRNQV-BZPMIXESSA-N 2 2 269.389 0.341 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000618189836 365921312 /nfs/dbraw/zinc/92/13/12/365921312.db2.gz YJTSMDJVYPFTTG-LLVKDONJSA-N 2 2 262.357 0.535 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000618189836 365921315 /nfs/dbraw/zinc/92/13/15/365921315.db2.gz YJTSMDJVYPFTTG-LLVKDONJSA-N 2 2 262.357 0.535 20 0 CCADLP O=C(NC[C@H]1[NH2+]CCc2ccccc21)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262419926 137043076 /nfs/dbraw/zinc/04/30/76/137043076.db2.gz RQDNQBUAHCWXJD-CHWSQXEVSA-N 2 2 295.333 0.987 20 0 CCADLP Cc1ccc(NC(=O)[C@H]2CCC[N@H+](CC[NH3+])C2)nc1 ZINC000262695567 137050631 /nfs/dbraw/zinc/05/06/31/137050631.db2.gz BDZVLJVFNFSAAS-LBPRGKRZSA-N 2 2 262.357 0.999 20 0 CCADLP Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](CC[NH3+])C2)nc1 ZINC000262695567 137050632 /nfs/dbraw/zinc/05/06/32/137050632.db2.gz BDZVLJVFNFSAAS-LBPRGKRZSA-N 2 2 262.357 0.999 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000262849486 137054300 /nfs/dbraw/zinc/05/43/00/137054300.db2.gz ZHRRBCLOQSPNPL-LBPRGKRZSA-N 2 2 294.424 0.859 20 0 CCADLP Cc1cccc(NC(=O)[C@H]2CCC[N@H+](CC[NH3+])C2)n1 ZINC000262900509 137055513 /nfs/dbraw/zinc/05/55/13/137055513.db2.gz DOVHZMHBUVWWEH-LBPRGKRZSA-N 2 2 262.357 0.999 20 0 CCADLP Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](CC[NH3+])C2)n1 ZINC000262900509 137055514 /nfs/dbraw/zinc/05/55/14/137055514.db2.gz DOVHZMHBUVWWEH-LBPRGKRZSA-N 2 2 262.357 0.999 20 0 CCADLP CC(C)CNC(=O)[C@@H](C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261730218 137017467 /nfs/dbraw/zinc/01/74/67/137017467.db2.gz KZVGGXIKCMUTSU-ZIAGYGMSSA-N 2 2 282.432 0.127 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000261761045 137018460 /nfs/dbraw/zinc/01/84/60/137018460.db2.gz NMAIMQKWFRPGCP-IGQOVBAYSA-N 2 2 283.416 0.587 20 0 CCADLP O=C(C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)NC1CCCCC1 ZINC000261764955 137018675 /nfs/dbraw/zinc/01/86/75/137018675.db2.gz VHCXWXYHQSGFKF-OAHLLOKOSA-N 2 2 294.443 0.415 20 0 CCADLP Cc1nc([C@@H]2C[N@H+](CC3CC[NH2+]CC3)CCO2)no1 ZINC000261821170 137021703 /nfs/dbraw/zinc/02/17/03/137021703.db2.gz IIGONZJRNYENRB-LBPRGKRZSA-N 2 2 266.345 0.751 20 0 CCADLP Cc1nc([C@@H]2C[N@@H+](CC3CC[NH2+]CC3)CCO2)no1 ZINC000261821170 137021704 /nfs/dbraw/zinc/02/17/04/137021704.db2.gz IIGONZJRNYENRB-LBPRGKRZSA-N 2 2 266.345 0.751 20 0 CCADLP C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000263159873 137059365 /nfs/dbraw/zinc/05/93/65/137059365.db2.gz DTDIFLDWZBNLBK-GXFFZTMASA-N 2 2 250.346 0.976 20 0 CCADLP Cc1cccc(NCCNC(=O)[C@H]2[NH2+]CCO[C@@H]2C)[nH+]1 ZINC000262284186 137035054 /nfs/dbraw/zinc/03/50/54/137035054.db2.gz ODPDZQXUSWCKMV-YPMHNXCESA-N 2 2 278.356 0.295 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(CC(N)=O)CC1)C1CC1 ZINC000311882655 137075762 /nfs/dbraw/zinc/07/57/62/137075762.db2.gz NHCGUOZGVNMZDW-CYBMUJFWSA-N 2 2 269.389 0.029 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(CC(N)=O)CC1)C1CC1 ZINC000311882655 137075763 /nfs/dbraw/zinc/07/57/63/137075763.db2.gz NHCGUOZGVNMZDW-CYBMUJFWSA-N 2 2 269.389 0.029 20 0 CCADLP CCOC(=O)C1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000312347441 137076904 /nfs/dbraw/zinc/07/69/04/137076904.db2.gz JQCWEAFROMRAFI-AWEZNQCLSA-N 2 2 284.400 0.717 20 0 CCADLP CCOC(=O)C1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000312347441 137076905 /nfs/dbraw/zinc/07/69/05/137076905.db2.gz JQCWEAFROMRAFI-AWEZNQCLSA-N 2 2 284.400 0.717 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)C1CC1 ZINC000312910469 137077704 /nfs/dbraw/zinc/07/77/04/137077704.db2.gz KRQZCMJSWKDXHX-CWRNSKLLSA-N 3 2 281.444 0.858 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)C1CC1 ZINC000312910469 137077705 /nfs/dbraw/zinc/07/77/05/137077705.db2.gz KRQZCMJSWKDXHX-CWRNSKLLSA-N 3 2 281.444 0.858 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)C1CC1 ZINC000312910469 137077706 /nfs/dbraw/zinc/07/77/06/137077706.db2.gz KRQZCMJSWKDXHX-CWRNSKLLSA-N 3 2 281.444 0.858 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)C1CC1 ZINC000312910469 137077707 /nfs/dbraw/zinc/07/77/07/137077707.db2.gz KRQZCMJSWKDXHX-CWRNSKLLSA-N 3 2 281.444 0.858 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000332926051 137082229 /nfs/dbraw/zinc/08/22/29/137082229.db2.gz JZLXUHATRLLHLM-KWCYVHTRSA-N 2 2 296.415 0.099 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000332926051 137082230 /nfs/dbraw/zinc/08/22/30/137082230.db2.gz JZLXUHATRLLHLM-KWCYVHTRSA-N 2 2 296.415 0.099 20 0 CCADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000332926051 137082231 /nfs/dbraw/zinc/08/22/31/137082231.db2.gz JZLXUHATRLLHLM-KWCYVHTRSA-N 2 2 296.415 0.099 20 0 CCADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000332926051 137082232 /nfs/dbraw/zinc/08/22/32/137082232.db2.gz JZLXUHATRLLHLM-KWCYVHTRSA-N 2 2 296.415 0.099 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]C[C@@H](C)N2CCOCC2)[C@@H](C)C1 ZINC000343154302 137117835 /nfs/dbraw/zinc/11/78/35/137117835.db2.gz QIZWNAFZQFBWBL-MJBXVCDLSA-N 2 2 255.406 0.637 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]C[C@@H](C)N2CCOCC2)[C@@H](C)C1 ZINC000343154302 137117836 /nfs/dbraw/zinc/11/78/36/137117836.db2.gz QIZWNAFZQFBWBL-MJBXVCDLSA-N 2 2 255.406 0.637 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000343654302 137147776 /nfs/dbraw/zinc/14/77/76/137147776.db2.gz OEDCJSBDMJHLQM-HZSPNIEDSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000343654302 137147777 /nfs/dbraw/zinc/14/77/77/137147777.db2.gz OEDCJSBDMJHLQM-HZSPNIEDSA-N 2 2 298.431 0.489 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NCCC[NH+]1CCCC1 ZINC000344013049 137173002 /nfs/dbraw/zinc/17/30/02/137173002.db2.gz IBPOZXJWBCRTSF-UHFFFAOYSA-N 2 2 265.361 0.705 20 0 CCADLP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000344029416 137174563 /nfs/dbraw/zinc/17/45/63/137174563.db2.gz XLIUWGVQZQSASQ-IACUBPJLSA-N 2 2 283.416 0.410 20 0 CCADLP CN(CCC[N@H+](C)Cc1nc(N(C)C)no1)CC[NH+](C)C ZINC000344049432 137175483 /nfs/dbraw/zinc/17/54/83/137175483.db2.gz KQFIKPFOGUDYTQ-UHFFFAOYSA-N 2 2 298.435 0.451 20 0 CCADLP CN(CCC[N@@H+](C)Cc1nc(N(C)C)no1)CC[NH+](C)C ZINC000344049432 137175484 /nfs/dbraw/zinc/17/54/84/137175484.db2.gz KQFIKPFOGUDYTQ-UHFFFAOYSA-N 2 2 298.435 0.451 20 0 CCADLP CC[N@@H+]1CCN(c2nc(C)[nH+]c(N(C)C)n2)[C@@H](C)C1 ZINC000343296192 137125529 /nfs/dbraw/zinc/12/55/29/137125529.db2.gz YGSXZQFUTQVJAK-JTQLQIEISA-N 2 2 264.377 0.776 20 0 CCADLP CC[N@H+]1CCN(c2nc(C)[nH+]c(N(C)C)n2)[C@@H](C)C1 ZINC000343296192 137125530 /nfs/dbraw/zinc/12/55/30/137125530.db2.gz YGSXZQFUTQVJAK-JTQLQIEISA-N 2 2 264.377 0.776 20 0 CCADLP CCN(CCC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C)S(C)(=O)=O ZINC000343384053 137131702 /nfs/dbraw/zinc/13/17/02/137131702.db2.gz IUVBRXZZDZMLDN-RYUDHWBXSA-N 2 2 277.434 0.198 20 0 CCADLP CCN(CCC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)S(C)(=O)=O ZINC000343384053 137131703 /nfs/dbraw/zinc/13/17/03/137131703.db2.gz IUVBRXZZDZMLDN-RYUDHWBXSA-N 2 2 277.434 0.198 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCN1CCCCC1=O ZINC000344270752 137186838 /nfs/dbraw/zinc/18/68/38/137186838.db2.gz FKNCBSRXGCJYLX-QWHCGFSZSA-N 2 2 253.390 0.929 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCN1CCCCC1=O ZINC000344270752 137186839 /nfs/dbraw/zinc/18/68/39/137186839.db2.gz FKNCBSRXGCJYLX-QWHCGFSZSA-N 2 2 253.390 0.929 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCC[NH+]1CCC[C@H]1CO ZINC000344388517 137191960 /nfs/dbraw/zinc/19/19/60/137191960.db2.gz UJYTZVLANYXJKA-QLFBSQMISA-N 3 2 269.433 0.763 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCC[NH+]1CCC[C@H]1CO ZINC000344388517 137191961 /nfs/dbraw/zinc/19/19/61/137191961.db2.gz UJYTZVLANYXJKA-QLFBSQMISA-N 3 2 269.433 0.763 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000344388517 137191962 /nfs/dbraw/zinc/19/19/62/137191962.db2.gz UJYTZVLANYXJKA-QLFBSQMISA-N 3 2 269.433 0.763 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000344388517 137191963 /nfs/dbraw/zinc/19/19/63/137191963.db2.gz UJYTZVLANYXJKA-QLFBSQMISA-N 3 2 269.433 0.763 20 0 CCADLP C[C@H]1C[C@@H](C(=O)N(C)CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000344181727 137181852 /nfs/dbraw/zinc/18/18/52/137181852.db2.gz ZBISQPHSQMNSMI-KBPBESRZSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@H]1C[C@@H](C(=O)N(C)CC[NH+]2CCOCC2)CC[N@H+]1C ZINC000344181727 137181853 /nfs/dbraw/zinc/18/18/53/137181853.db2.gz ZBISQPHSQMNSMI-KBPBESRZSA-N 2 2 283.416 0.507 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000344223253 137184821 /nfs/dbraw/zinc/18/48/21/137184821.db2.gz ZUULNKNKBGDLFQ-RRFJBIMHSA-N 3 2 268.449 0.552 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000344223253 137184822 /nfs/dbraw/zinc/18/48/22/137184822.db2.gz ZUULNKNKBGDLFQ-RRFJBIMHSA-N 3 2 268.449 0.552 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000344223255 137185042 /nfs/dbraw/zinc/18/50/42/137185042.db2.gz ZUULNKNKBGDLFQ-SOUVJXGZSA-N 3 2 268.449 0.552 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000344223255 137185043 /nfs/dbraw/zinc/18/50/43/137185043.db2.gz ZUULNKNKBGDLFQ-SOUVJXGZSA-N 3 2 268.449 0.552 20 0 CCADLP C[C@@H]1OCC[NH2+][C@@H]1C(=O)NCCCCNc1cccc[nH+]1 ZINC000344436671 137194808 /nfs/dbraw/zinc/19/48/08/137194808.db2.gz HQMOVYFCKVGCLO-JSGCOSHPSA-N 2 2 292.383 0.767 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCOC[C@@H]1CCOC1 ZINC000344533956 137200144 /nfs/dbraw/zinc/20/01/44/137200144.db2.gz QFNFZDBYUXNXEZ-RDBSUJKOSA-N 2 2 256.390 0.969 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCOC[C@@H]1CCOC1 ZINC000344533956 137200145 /nfs/dbraw/zinc/20/01/45/137200145.db2.gz QFNFZDBYUXNXEZ-RDBSUJKOSA-N 2 2 256.390 0.969 20 0 CCADLP CCC(=O)N1CC[C@H]([NH2+][C@@H]2C[N@H+](CC)C[C@H]2C)C1 ZINC000344768788 137212171 /nfs/dbraw/zinc/21/21/71/137212171.db2.gz FORZPKZYYIFHQA-FRRDWIJNSA-N 2 2 253.390 0.927 20 0 CCADLP CCC(=O)N1CC[C@H]([NH2+][C@@H]2C[N@@H+](CC)C[C@H]2C)C1 ZINC000344768788 137212172 /nfs/dbraw/zinc/21/21/72/137212172.db2.gz FORZPKZYYIFHQA-FRRDWIJNSA-N 2 2 253.390 0.927 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC000344771598 137212478 /nfs/dbraw/zinc/21/24/78/137212478.db2.gz YNRFGECZXJZUDC-BXUZGUMPSA-N 2 2 277.368 0.590 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC000344771598 137212479 /nfs/dbraw/zinc/21/24/79/137212479.db2.gz YNRFGECZXJZUDC-BXUZGUMPSA-N 2 2 277.368 0.590 20 0 CCADLP Cc1nc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)cs1 ZINC000041011056 348246111 /nfs/dbraw/zinc/24/61/11/348246111.db2.gz NUWSCHPWUHZELE-UHFFFAOYSA-N 2 2 268.386 0.315 20 0 CCADLP CCCC[N@H+](C)CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000345754334 137250807 /nfs/dbraw/zinc/25/08/07/137250807.db2.gz GUTXIWXIXXPGQR-JTQLQIEISA-N 2 2 263.332 0.832 20 0 CCADLP CCCC[N@@H+](C)CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000345754334 137250808 /nfs/dbraw/zinc/25/08/08/137250808.db2.gz GUTXIWXIXXPGQR-JTQLQIEISA-N 2 2 263.332 0.832 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000346316950 137278495 /nfs/dbraw/zinc/27/84/95/137278495.db2.gz IIMDJNWEXLVPLA-OAHLLOKOSA-N 2 2 276.384 0.907 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000346316950 137278496 /nfs/dbraw/zinc/27/84/96/137278496.db2.gz IIMDJNWEXLVPLA-OAHLLOKOSA-N 2 2 276.384 0.907 20 0 CCADLP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402249 348307961 /nfs/dbraw/zinc/30/79/61/348307961.db2.gz HNCGCNIUKUONCL-BDAKNGLRSA-N 2 2 281.360 0.349 20 0 CCADLP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402249 348307964 /nfs/dbraw/zinc/30/79/64/348307964.db2.gz HNCGCNIUKUONCL-BDAKNGLRSA-N 2 2 281.360 0.349 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000346238120 137274097 /nfs/dbraw/zinc/27/40/97/137274097.db2.gz ZXIQHWIJUXMYCT-LLVKDONJSA-N 2 2 257.378 0.164 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000339445919 215177695 /nfs/dbraw/zinc/17/76/95/215177695.db2.gz AEZGNIRKVJPZGM-GFCCVEGCSA-N 2 2 277.372 0.809 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000339445919 215177698 /nfs/dbraw/zinc/17/76/98/215177698.db2.gz AEZGNIRKVJPZGM-GFCCVEGCSA-N 2 2 277.372 0.809 20 0 CCADLP O=C([C@@H]1CCCO1)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346833774 137307096 /nfs/dbraw/zinc/30/70/96/137307096.db2.gz MPAHTPSUQRCNPD-KBPBESRZSA-N 2 2 281.400 0.309 20 0 CCADLP CCOC(=O)[C@@](C)(O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347115539 137320883 /nfs/dbraw/zinc/32/08/83/137320883.db2.gz ALZPZYWFIXQGOC-HIFRSBDPSA-N 2 2 294.351 0.849 20 0 CCADLP CCOC(=O)[C@@](C)(O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347115539 137320884 /nfs/dbraw/zinc/32/08/84/137320884.db2.gz ALZPZYWFIXQGOC-HIFRSBDPSA-N 2 2 294.351 0.849 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cnc(N(C)C)nc2)C1 ZINC000347151568 137322479 /nfs/dbraw/zinc/32/24/79/137322479.db2.gz BFEUIDREJHEZRQ-GFCCVEGCSA-N 2 2 263.389 0.974 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cnc(N(C)C)nc2)C1 ZINC000347151568 137322480 /nfs/dbraw/zinc/32/24/80/137322480.db2.gz BFEUIDREJHEZRQ-GFCCVEGCSA-N 2 2 263.389 0.974 20 0 CCADLP O=C([C@@H]1CCC[N@H+](Cc2csnn2)C1)N1CC[NH2+]CC1 ZINC000347209869 137325499 /nfs/dbraw/zinc/32/54/99/137325499.db2.gz OAQIOFWHWJAFAC-LLVKDONJSA-N 2 2 295.412 0.182 20 0 CCADLP O=C([C@@H]1CCC[N@@H+](Cc2csnn2)C1)N1CC[NH2+]CC1 ZINC000347209869 137325500 /nfs/dbraw/zinc/32/55/00/137325500.db2.gz OAQIOFWHWJAFAC-LLVKDONJSA-N 2 2 295.412 0.182 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCOCC1 ZINC000349679950 137399655 /nfs/dbraw/zinc/39/96/55/137399655.db2.gz ODIYYSGDFGKCEH-CQSZACIVSA-N 2 2 298.431 0.492 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCOCC1 ZINC000349679950 137399656 /nfs/dbraw/zinc/39/96/56/137399656.db2.gz ODIYYSGDFGKCEH-CQSZACIVSA-N 2 2 298.431 0.492 20 0 CCADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cocn3)CC2)CC1 ZINC000348935397 137380963 /nfs/dbraw/zinc/38/09/63/137380963.db2.gz PDJCLNMAPLCAHB-UHFFFAOYSA-N 2 2 292.383 0.661 20 0 CCADLP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000050463865 348476610 /nfs/dbraw/zinc/47/66/10/348476610.db2.gz ZDAFUECJHMYFCA-NWDGAFQWSA-N 2 2 265.382 0.740 20 0 CCADLP C[C@@H](C[NH3+])C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000054340724 348552421 /nfs/dbraw/zinc/55/24/21/348552421.db2.gz PSQAFBWKOPUSQF-NSHDSACASA-N 2 2 267.398 0.987 20 0 CCADLP C[C@H](C[NH3+])C(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000054344987 348553845 /nfs/dbraw/zinc/55/38/45/348553845.db2.gz CHJGZWYVBGUPML-NEPJUHHUSA-N 2 2 297.424 0.832 20 0 CCADLP O=C([C@H]1CC[NH2+]C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000062114658 348664643 /nfs/dbraw/zinc/66/46/43/348664643.db2.gz VQYVQXFCWDQLPP-ZDUSSCGKSA-N 2 2 274.368 0.335 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NCCNc1cccc[nH+]1 ZINC000063466103 348686089 /nfs/dbraw/zinc/68/60/89/348686089.db2.gz KJPUNYQOSSTKOC-UHFFFAOYSA-N 2 2 250.346 0.950 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NCCNc1cccc[nH+]1 ZINC000063466103 348686091 /nfs/dbraw/zinc/68/60/91/348686091.db2.gz KJPUNYQOSSTKOC-UHFFFAOYSA-N 2 2 250.346 0.950 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000070252243 348881706 /nfs/dbraw/zinc/88/17/06/348881706.db2.gz NAKRTXMRODINDJ-LBPRGKRZSA-N 2 2 262.357 0.779 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000072859640 348936822 /nfs/dbraw/zinc/93/68/22/348936822.db2.gz QGJIKLPWIXJLBT-LBPRGKRZSA-N 2 2 284.404 0.496 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000072859640 348936824 /nfs/dbraw/zinc/93/68/24/348936824.db2.gz QGJIKLPWIXJLBT-LBPRGKRZSA-N 2 2 284.404 0.496 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000072859640 348936827 /nfs/dbraw/zinc/93/68/27/348936827.db2.gz QGJIKLPWIXJLBT-LBPRGKRZSA-N 2 2 284.404 0.496 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000072859640 348936828 /nfs/dbraw/zinc/93/68/28/348936828.db2.gz QGJIKLPWIXJLBT-LBPRGKRZSA-N 2 2 284.404 0.496 20 0 CCADLP C[C@H]1C[NH+]=C(N2CCN(C(=O)/C=C/C[NH+](C)C)CC2)S1 ZINC000073118545 348944035 /nfs/dbraw/zinc/94/40/35/348944035.db2.gz IRMXXOLLISENOL-ITKZLYELSA-N 2 2 296.440 0.740 20 0 CCADLP C[N@H+](CCO)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000070924118 348899273 /nfs/dbraw/zinc/89/92/73/348899273.db2.gz MIZUYRJSIDZZQV-UHFFFAOYSA-N 2 2 291.395 0.255 20 0 CCADLP C[N@@H+](CCO)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000070924118 348899275 /nfs/dbraw/zinc/89/92/75/348899275.db2.gz MIZUYRJSIDZZQV-UHFFFAOYSA-N 2 2 291.395 0.255 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@H]2C)CC1 ZINC000339561511 215243556 /nfs/dbraw/zinc/24/35/56/215243556.db2.gz DWBJLLPWHJZAJZ-UPJWGTAASA-N 2 2 253.390 0.879 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@H]2C)CC1 ZINC000339561511 215243558 /nfs/dbraw/zinc/24/35/58/215243558.db2.gz DWBJLLPWHJZAJZ-UPJWGTAASA-N 2 2 253.390 0.879 20 0 CCADLP CCNC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075836108 349053575 /nfs/dbraw/zinc/05/35/75/349053575.db2.gz HVGNKRXXXALSIG-CYBMUJFWSA-N 2 2 253.390 0.930 20 0 CCADLP CCNC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075836108 349053576 /nfs/dbraw/zinc/05/35/76/349053576.db2.gz HVGNKRXXXALSIG-CYBMUJFWSA-N 2 2 253.390 0.930 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+]([C@H]2CCCN(C)C2=O)CC1 ZINC000537610328 290873644 /nfs/dbraw/zinc/87/36/44/290873644.db2.gz MMLHQPIOUHGGDE-LBPRGKRZSA-N 2 2 277.372 0.163 20 0 CCADLP CC[NH+]1CCC([N@H+](C)Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000077249141 349104153 /nfs/dbraw/zinc/10/41/53/349104153.db2.gz UUJHQONHNLCRAN-UHFFFAOYSA-N 2 2 294.399 0.000 20 0 CCADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000077249141 349104157 /nfs/dbraw/zinc/10/41/57/349104157.db2.gz UUJHQONHNLCRAN-UHFFFAOYSA-N 2 2 294.399 0.000 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000076002973 349061850 /nfs/dbraw/zinc/06/18/50/349061850.db2.gz BNOYLEVPYSYMDA-GFCCVEGCSA-N 2 2 296.415 0.638 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000076002973 349061853 /nfs/dbraw/zinc/06/18/53/349061853.db2.gz BNOYLEVPYSYMDA-GFCCVEGCSA-N 2 2 296.415 0.638 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000076003722 349063258 /nfs/dbraw/zinc/06/32/58/349063258.db2.gz BNPIWXIWPIJBEX-CQSZACIVSA-N 2 2 283.416 0.509 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000076003722 349063259 /nfs/dbraw/zinc/06/32/59/349063259.db2.gz BNPIWXIWPIJBEX-CQSZACIVSA-N 2 2 283.416 0.509 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000076005123 349063596 /nfs/dbraw/zinc/06/35/96/349063596.db2.gz QNOZBFFYUNECKL-GFCCVEGCSA-N 2 2 284.404 0.496 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000076005123 349063600 /nfs/dbraw/zinc/06/36/00/349063600.db2.gz QNOZBFFYUNECKL-GFCCVEGCSA-N 2 2 284.404 0.496 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000078524038 349141516 /nfs/dbraw/zinc/14/15/16/349141516.db2.gz VJUDLZZODFJISX-LBPRGKRZSA-N 2 2 250.346 0.678 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000339617477 215269765 /nfs/dbraw/zinc/26/97/65/215269765.db2.gz PFLBYEPUTOAOKY-HZSPNIEDSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000339617477 215269766 /nfs/dbraw/zinc/26/97/66/215269766.db2.gz PFLBYEPUTOAOKY-HZSPNIEDSA-N 2 2 255.406 0.732 20 0 CCADLP Cc1cc(N(C)C[C@H](O)C[NH+]2CCOCC2)nc(C)[nH+]1 ZINC000081015090 349240438 /nfs/dbraw/zinc/24/04/38/349240438.db2.gz OUZWDAYKBLBVSA-ZDUSSCGKSA-N 2 2 280.372 0.223 20 0 CCADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NC(=O)NC)C1 ZINC000081571289 349275309 /nfs/dbraw/zinc/27/53/09/349275309.db2.gz JGJCCGHWIGMFET-LLVKDONJSA-N 2 2 270.377 0.106 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NC(=O)NC)C1 ZINC000081571289 349275311 /nfs/dbraw/zinc/27/53/11/349275311.db2.gz JGJCCGHWIGMFET-LLVKDONJSA-N 2 2 270.377 0.106 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC(=O)NC)C1 ZINC000081571289 349275314 /nfs/dbraw/zinc/27/53/14/349275314.db2.gz JGJCCGHWIGMFET-LLVKDONJSA-N 2 2 270.377 0.106 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC(=O)NC)C1 ZINC000081571289 349275316 /nfs/dbraw/zinc/27/53/16/349275316.db2.gz JGJCCGHWIGMFET-LLVKDONJSA-N 2 2 270.377 0.106 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](CC3CC3)C2)CC1 ZINC000339678331 215294845 /nfs/dbraw/zinc/29/48/45/215294845.db2.gz LEGIXEJXZUKAKJ-CQSZACIVSA-N 2 2 265.401 0.882 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](CC3CC3)C2)CC1 ZINC000339678331 215294847 /nfs/dbraw/zinc/29/48/47/215294847.db2.gz LEGIXEJXZUKAKJ-CQSZACIVSA-N 2 2 265.401 0.882 20 0 CCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)[C@H]1COCC[NH2+]1 ZINC000088371693 349364267 /nfs/dbraw/zinc/36/42/67/349364267.db2.gz BXPNAKQEXAONJI-CYBMUJFWSA-N 2 2 288.351 0.449 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000121204470 350027169 /nfs/dbraw/zinc/02/71/69/350027169.db2.gz HDZUMCXIYDANLA-UHFFFAOYSA-N 3 2 291.399 0.294 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCCNS(C)(=O)=O)C[N@@H+]1C1CC1 ZINC000121256948 350030555 /nfs/dbraw/zinc/03/05/55/350030555.db2.gz XUGUGBIYNMCIBV-GHMZBOCLSA-N 2 2 275.418 0.141 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCCNS(C)(=O)=O)C[N@H+]1C1CC1 ZINC000121256948 350030558 /nfs/dbraw/zinc/03/05/58/350030558.db2.gz XUGUGBIYNMCIBV-GHMZBOCLSA-N 2 2 275.418 0.141 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CC[C@H]2CCOC2=O)CC1 ZINC000089926303 349413188 /nfs/dbraw/zinc/41/31/88/349413188.db2.gz HLZWSJSTXQLDED-LBPRGKRZSA-N 2 2 278.356 0.495 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[NH+](C)[C@H]3CCC[C@H]32)C1 ZINC000353674646 290246235 /nfs/dbraw/zinc/24/62/35/290246235.db2.gz SLHUZMMCEYRGGI-XGUBFFRZSA-N 3 2 267.417 0.515 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[NH+](C)[C@H]3CCC[C@H]32)C1 ZINC000353674646 290246236 /nfs/dbraw/zinc/24/62/36/290246236.db2.gz SLHUZMMCEYRGGI-XGUBFFRZSA-N 3 2 267.417 0.515 20 0 CCADLP C[NH+]1CC[C@](O)(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000353674646 290246238 /nfs/dbraw/zinc/24/62/38/290246238.db2.gz SLHUZMMCEYRGGI-XGUBFFRZSA-N 3 2 267.417 0.515 20 0 CCADLP C[NH+]1CC[C@](O)(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000353674646 290246239 /nfs/dbraw/zinc/24/62/39/290246239.db2.gz SLHUZMMCEYRGGI-XGUBFFRZSA-N 3 2 267.417 0.515 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2ccccc2F)[C@H](C[NH3+])C1 ZINC000122633830 350068113 /nfs/dbraw/zinc/06/81/13/350068113.db2.gz YSBXPQZEFHJOOO-GFCCVEGCSA-N 2 2 265.332 0.470 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2ccccc2F)[C@H](C[NH3+])C1 ZINC000122633830 350068117 /nfs/dbraw/zinc/06/81/17/350068117.db2.gz YSBXPQZEFHJOOO-GFCCVEGCSA-N 2 2 265.332 0.470 20 0 CCADLP COC(=O)c1ccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])o1 ZINC000122764164 350069018 /nfs/dbraw/zinc/06/90/18/350069018.db2.gz UICOSVPKBWAIBV-SNVBAGLBSA-N 2 2 267.329 0.141 20 0 CCADLP COC(=O)c1ccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])o1 ZINC000122764164 350069020 /nfs/dbraw/zinc/06/90/20/350069020.db2.gz UICOSVPKBWAIBV-SNVBAGLBSA-N 2 2 267.329 0.141 20 0 CCADLP C[N@@H+]1CCN(C(=O)c2cccc3cc[nH]c32)[C@@H](C[NH3+])C1 ZINC000124338397 350095113 /nfs/dbraw/zinc/09/51/13/350095113.db2.gz HKCBZTHERBLSAW-LBPRGKRZSA-N 2 2 272.352 0.883 20 0 CCADLP C[N@H+]1CCN(C(=O)c2cccc3cc[nH]c32)[C@@H](C[NH3+])C1 ZINC000124338397 350095116 /nfs/dbraw/zinc/09/51/16/350095116.db2.gz HKCBZTHERBLSAW-LBPRGKRZSA-N 2 2 272.352 0.883 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2c(F)cccc2F)[C@@H](C[NH3+])C1 ZINC000124348523 350096431 /nfs/dbraw/zinc/09/64/31/350096431.db2.gz XXEJNYSUNIKWBH-JTQLQIEISA-N 2 2 283.322 0.609 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2c(F)cccc2F)[C@@H](C[NH3+])C1 ZINC000124348523 350096435 /nfs/dbraw/zinc/09/64/35/350096435.db2.gz XXEJNYSUNIKWBH-JTQLQIEISA-N 2 2 283.322 0.609 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)NC(=O)NC1CC1 ZINC000124397508 350097969 /nfs/dbraw/zinc/09/79/69/350097969.db2.gz FXNFQHMCJTVJNG-UHFFFAOYSA-N 2 2 279.344 0.193 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)NC(=O)NC1CC1 ZINC000124397508 350097972 /nfs/dbraw/zinc/09/79/72/350097972.db2.gz FXNFQHMCJTVJNG-UHFFFAOYSA-N 2 2 279.344 0.193 20 0 CCADLP C[N@@H+]1CCN(Cc2ccc(-n3cccn3)cc2)[C@H](C[NH3+])C1 ZINC000124422826 350098317 /nfs/dbraw/zinc/09/83/17/350098317.db2.gz NYDZPOYQUCVIAP-MRXNPFEDSA-N 2 2 285.395 0.947 20 0 CCADLP C[N@H+]1CCN(Cc2ccc(-n3cccn3)cc2)[C@H](C[NH3+])C1 ZINC000124422826 350098319 /nfs/dbraw/zinc/09/83/19/350098319.db2.gz NYDZPOYQUCVIAP-MRXNPFEDSA-N 2 2 285.395 0.947 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)c1csc(C[NH3+])n1 ZINC000090931881 180065861 /nfs/dbraw/zinc/06/58/61/180065861.db2.gz VYSFISVSYXPEEJ-UHFFFAOYSA-N 2 2 251.315 0.265 20 0 CCADLP COC[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000126779724 350154419 /nfs/dbraw/zinc/15/44/19/350154419.db2.gz DJCPCGBIDCZHQW-ZIAGYGMSSA-N 2 2 272.389 0.038 20 0 CCADLP COC[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000126779724 350154420 /nfs/dbraw/zinc/15/44/20/350154420.db2.gz DJCPCGBIDCZHQW-ZIAGYGMSSA-N 2 2 272.389 0.038 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000091134598 180104218 /nfs/dbraw/zinc/10/42/18/180104218.db2.gz QWTNJRSAYOKRTK-MNOVXSKESA-N 2 2 268.386 0.483 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000091134595 180104269 /nfs/dbraw/zinc/10/42/69/180104269.db2.gz QWTNJRSAYOKRTK-WDEREUQCSA-N 2 2 268.386 0.483 20 0 CCADLP COC[C@H](O)C[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000127597189 350174011 /nfs/dbraw/zinc/17/40/11/350174011.db2.gz RYCZVXWLSSEJFK-CYBMUJFWSA-N 2 2 265.357 0.519 20 0 CCADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(C)C2=O)C1 ZINC000130433749 350238187 /nfs/dbraw/zinc/23/81/87/350238187.db2.gz PFGDTZXWKAJWEE-NWDGAFQWSA-N 2 2 290.367 0.432 20 0 CCADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(C)C2=O)C1 ZINC000130433749 350238189 /nfs/dbraw/zinc/23/81/89/350238189.db2.gz PFGDTZXWKAJWEE-NWDGAFQWSA-N 2 2 290.367 0.432 20 0 CCADLP C[C@@H](C[NH+](C)C)[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC000132862713 350318342 /nfs/dbraw/zinc/31/83/42/350318342.db2.gz NBBMMGRJLSUYSJ-NSHDSACASA-N 2 2 256.394 0.672 20 0 CCADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCCn2cc[nH+]c2)C1(C)C ZINC000133895168 350348256 /nfs/dbraw/zinc/34/82/56/350348256.db2.gz LXBJFKKHKJBZHN-IUODEOHRSA-N 2 2 294.399 0.922 20 0 CCADLP CC[C@]1(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CCC[NH2+]1 ZINC000134560599 350368782 /nfs/dbraw/zinc/36/87/82/350368782.db2.gz QJSNRAKIDQCVBF-GDBMZVCRSA-N 2 2 297.443 0.992 20 0 CCADLP C[C@@H](C[NH2+]C1CCN(C(=O)N(C)C)CC1)[NH+](C)C ZINC000135124748 350385649 /nfs/dbraw/zinc/38/56/49/350385649.db2.gz APDJGFFXXPHQHY-NSHDSACASA-N 2 2 256.394 0.672 20 0 CCADLP C[C@]1(C(=O)N2CC[NH+](C3CC3)CC2)CCCC[NH2+]1 ZINC000136199137 350417103 /nfs/dbraw/zinc/41/71/03/350417103.db2.gz YMKJNZRSKIVYGE-CQSZACIVSA-N 2 2 251.374 0.825 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](CO)CC2)CC1 ZINC000339746365 215322584 /nfs/dbraw/zinc/32/25/84/215322584.db2.gz NWYKGPNKQSXPQC-GJZGRUSLSA-N 2 2 297.443 0.633 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](CO)CC2)CC1 ZINC000339746365 215322586 /nfs/dbraw/zinc/32/25/86/215322586.db2.gz NWYKGPNKQSXPQC-GJZGRUSLSA-N 2 2 297.443 0.633 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3nc(C)no3)C2)CC1 ZINC000107368349 186171571 /nfs/dbraw/zinc/17/15/71/186171571.db2.gz HOXIMHWXEWQYHJ-CYBMUJFWSA-N 2 2 279.388 0.590 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3nc(C)no3)C2)CC1 ZINC000107368349 186171573 /nfs/dbraw/zinc/17/15/73/186171573.db2.gz HOXIMHWXEWQYHJ-CYBMUJFWSA-N 2 2 279.388 0.590 20 0 CCADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCc2ccccc2C1 ZINC000107575559 186179727 /nfs/dbraw/zinc/17/97/27/186179727.db2.gz UQQQHKPJBVWOAA-IYBDPMFKSA-N 2 2 285.391 0.723 20 0 CCADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCc2ccccc2C1 ZINC000107575559 186179728 /nfs/dbraw/zinc/17/97/28/186179728.db2.gz UQQQHKPJBVWOAA-IYBDPMFKSA-N 2 2 285.391 0.723 20 0 CCADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)N1CCOCC1 ZINC000109795300 186273111 /nfs/dbraw/zinc/27/31/11/186273111.db2.gz LFKJWIRCRXDOPM-UHFFFAOYSA-N 2 2 278.356 0.379 20 0 CCADLP CCS(=O)(=O)CCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000158127303 350654543 /nfs/dbraw/zinc/65/45/43/350654543.db2.gz GOYJSOURBQORDS-NEPJUHHUSA-N 2 2 262.419 0.884 20 0 CCADLP CCS(=O)(=O)CCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000158127303 350654546 /nfs/dbraw/zinc/65/45/46/350654546.db2.gz GOYJSOURBQORDS-NEPJUHHUSA-N 2 2 262.419 0.884 20 0 CCADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)NC(=O)NC3CC3)CC[C@@H]21 ZINC000158994319 350666217 /nfs/dbraw/zinc/66/62/17/350666217.db2.gz DMEGYUJPUHLMQH-AAEUAGOBSA-N 2 2 294.399 0.391 20 0 CCADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)NC(=O)NC3CC3)CC[C@@H]21 ZINC000158994319 350666220 /nfs/dbraw/zinc/66/62/20/350666220.db2.gz DMEGYUJPUHLMQH-AAEUAGOBSA-N 2 2 294.399 0.391 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)NC(=O)NC3CC3)CC[C@@H]21 ZINC000158994319 350666223 /nfs/dbraw/zinc/66/62/23/350666223.db2.gz DMEGYUJPUHLMQH-AAEUAGOBSA-N 2 2 294.399 0.391 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)NC(=O)NC3CC3)CC[C@@H]21 ZINC000158994319 350666227 /nfs/dbraw/zinc/66/62/27/350666227.db2.gz DMEGYUJPUHLMQH-AAEUAGOBSA-N 2 2 294.399 0.391 20 0 CCADLP CC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000163528039 350768012 /nfs/dbraw/zinc/76/80/12/350768012.db2.gz NMZMSZDPFVNRHU-CABCVRRESA-N 2 2 291.395 0.741 20 0 CCADLP CC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000163528039 350768014 /nfs/dbraw/zinc/76/80/14/350768014.db2.gz NMZMSZDPFVNRHU-CABCVRRESA-N 2 2 291.395 0.741 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000164029189 350776086 /nfs/dbraw/zinc/77/60/86/350776086.db2.gz YNXBJDTWNDCVFY-NWDGAFQWSA-N 2 2 262.419 0.741 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000164029189 350776088 /nfs/dbraw/zinc/77/60/88/350776088.db2.gz YNXBJDTWNDCVFY-NWDGAFQWSA-N 2 2 262.419 0.741 20 0 CCADLP CC(C)(C[NH3+])C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000164826421 350783061 /nfs/dbraw/zinc/78/30/61/350783061.db2.gz NQFDDTSSZWATNO-UHFFFAOYSA-N 2 2 276.384 0.711 20 0 CCADLP O=C(NCCCNc1cccc[nH+]1)[C@@H]1CCC[NH2+]C1 ZINC000165233888 350788562 /nfs/dbraw/zinc/78/85/62/350788562.db2.gz MYDHFMZOENUGHF-GFCCVEGCSA-N 2 2 262.357 0.999 20 0 CCADLP CC(C)[NH2+]CCC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000165681704 350792754 /nfs/dbraw/zinc/79/27/54/350792754.db2.gz ONJJLWFXKPXPLM-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000167684343 350812682 /nfs/dbraw/zinc/81/26/82/350812682.db2.gz IOPBEKWBUFEMJM-YNEHKIRRSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000167684651 350813241 /nfs/dbraw/zinc/81/32/41/350813241.db2.gz IOPBEKWBUFEMJM-FRRDWIJNSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2nnnn2-c2ccccc2)C1 ZINC000168644443 350830013 /nfs/dbraw/zinc/83/00/13/350830013.db2.gz MLVUGLKRONFLEV-NWDGAFQWSA-N 2 2 272.356 0.831 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2nnnn2-c2ccccc2)C1 ZINC000168644443 350830014 /nfs/dbraw/zinc/83/00/14/350830014.db2.gz MLVUGLKRONFLEV-NWDGAFQWSA-N 2 2 272.356 0.831 20 0 CCADLP C[NH+](C)CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000170249816 350843666 /nfs/dbraw/zinc/84/36/66/350843666.db2.gz PTOOIZLGXOONAX-NSHDSACASA-N 2 2 250.346 0.513 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000171435641 350908608 /nfs/dbraw/zinc/90/86/08/350908608.db2.gz LYATTYIEESFDLO-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000171435641 350908610 /nfs/dbraw/zinc/90/86/10/350908610.db2.gz LYATTYIEESFDLO-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP COC[C@@H](O)C[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000171973225 350948788 /nfs/dbraw/zinc/94/87/88/350948788.db2.gz GMUXJSPHHZONKF-LBPRGKRZSA-N 2 2 281.356 0.220 20 0 CCADLP COC[C@H](C)[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000172823241 351012510 /nfs/dbraw/zinc/01/25/10/351012510.db2.gz OPSGTLCXLJILQV-NSHDSACASA-N 2 2 250.346 0.942 20 0 CCADLP COCCCCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177133967 351195017 /nfs/dbraw/zinc/19/50/17/351195017.db2.gz OHTJRCYITVIQAQ-UHFFFAOYSA-N 2 2 285.432 0.945 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CCCO2)CC1 ZINC000177118814 351195148 /nfs/dbraw/zinc/19/51/48/351195148.db2.gz TZVHWVAKLZSXAZ-CYBMUJFWSA-N 2 2 269.389 0.308 20 0 CCADLP CC(C)C[C@@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181044236 351299999 /nfs/dbraw/zinc/29/99/99/351299999.db2.gz ZKZMUDQMBWSJLU-HUUCEWRRSA-N 2 2 297.443 0.944 20 0 CCADLP O=C1C[C@H]([NH2+][C@H]2CCSC2)CN1CC[NH+]1CCOCC1 ZINC000181034946 351300204 /nfs/dbraw/zinc/30/02/04/351300204.db2.gz VVIQSVVQYRPUDH-STQMWFEESA-N 2 2 299.440 0.015 20 0 CCADLP C[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000181032189 351300327 /nfs/dbraw/zinc/30/03/27/351300327.db2.gz RKZQNQCPPQDAAN-OCCSQVGLSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000185143258 351434285 /nfs/dbraw/zinc/43/42/85/351434285.db2.gz SIBVPJWHWZBGSF-ZDUSSCGKSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000185143258 351434286 /nfs/dbraw/zinc/43/42/86/351434286.db2.gz SIBVPJWHWZBGSF-ZDUSSCGKSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000186675946 351507928 /nfs/dbraw/zinc/50/79/28/351507928.db2.gz PDPYOPCAGRHXMA-YPMHNXCESA-N 2 2 285.351 0.995 20 0 CCADLP C[N@H+](CCO)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188275565 351584486 /nfs/dbraw/zinc/58/44/86/351584486.db2.gz VTHPHHXOAFWSAD-HNNXBMFYSA-N 2 2 264.369 0.548 20 0 CCADLP C[N@@H+](CCO)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188275565 351584490 /nfs/dbraw/zinc/58/44/90/351584490.db2.gz VTHPHHXOAFWSAD-HNNXBMFYSA-N 2 2 264.369 0.548 20 0 CCADLP C[NH+](CCO)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188275565 351584494 /nfs/dbraw/zinc/58/44/94/351584494.db2.gz VTHPHHXOAFWSAD-HNNXBMFYSA-N 2 2 264.369 0.548 20 0 CCADLP C[NH+](CCO)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188275565 351584496 /nfs/dbraw/zinc/58/44/96/351584496.db2.gz VTHPHHXOAFWSAD-HNNXBMFYSA-N 2 2 264.369 0.548 20 0 CCADLP C[C@@H](c1nnnn1C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000189521311 351685801 /nfs/dbraw/zinc/68/58/01/351685801.db2.gz FTRPLDGKXDFYHV-JTQLQIEISA-N 2 2 261.333 0.805 20 0 CCADLP C[C@H](c1nnnn1C)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000189783740 351702139 /nfs/dbraw/zinc/70/21/39/351702139.db2.gz FUYUOUPGTPPPSR-VXGBXAGGSA-N 2 2 289.387 0.959 20 0 CCADLP C[C@H](c1nnnn1C)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000189783740 351702140 /nfs/dbraw/zinc/70/21/40/351702140.db2.gz FUYUOUPGTPPPSR-VXGBXAGGSA-N 2 2 289.387 0.959 20 0 CCADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000190981761 351742257 /nfs/dbraw/zinc/74/22/57/351742257.db2.gz KIWKPRMWTRJWIG-ZDUSSCGKSA-N 2 2 294.447 0.759 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCNC(=O)[C@H]2C)CC1 ZINC000191473357 351760012 /nfs/dbraw/zinc/76/00/12/351760012.db2.gz RICQQWWBPQCQNK-CQSZACIVSA-N 2 2 282.432 0.223 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCNC(=O)[C@H]2C)CC1 ZINC000191473357 351760016 /nfs/dbraw/zinc/76/00/16/351760016.db2.gz RICQQWWBPQCQNK-CQSZACIVSA-N 2 2 282.432 0.223 20 0 CCADLP CC[C@@H](O)C[NH+]1CCN(CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000191515519 351762294 /nfs/dbraw/zinc/76/22/94/351762294.db2.gz OHZGDJPIDDCXII-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP CC[C@@H](O)C[NH+]1CCN(CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000191515519 351762298 /nfs/dbraw/zinc/76/22/98/351762298.db2.gz OHZGDJPIDDCXII-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc(C(N)=O)c3)C[C@@H]2C1 ZINC000193610454 351835239 /nfs/dbraw/zinc/83/52/39/351835239.db2.gz QFOBKHQVKLWTOC-OKILXGFUSA-N 2 2 259.353 0.779 20 0 CCADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(C(N)=O)c3)C[C@@H]2C1 ZINC000193610454 351835241 /nfs/dbraw/zinc/83/52/41/351835241.db2.gz QFOBKHQVKLWTOC-OKILXGFUSA-N 2 2 259.353 0.779 20 0 CCADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(C(N)=O)c3)C[C@@H]2C1 ZINC000193610454 351835243 /nfs/dbraw/zinc/83/52/43/351835243.db2.gz QFOBKHQVKLWTOC-OKILXGFUSA-N 2 2 259.353 0.779 20 0 CCADLP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc(C(N)=O)c3)C[C@@H]2C1 ZINC000193610454 351835245 /nfs/dbraw/zinc/83/52/45/351835245.db2.gz QFOBKHQVKLWTOC-OKILXGFUSA-N 2 2 259.353 0.779 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C)C(=O)OC ZINC000216068763 351939221 /nfs/dbraw/zinc/93/92/21/351939221.db2.gz VTXQNHQLINKENB-MNXVOIDGSA-N 2 2 299.415 0.359 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C)C(=O)OC ZINC000216068763 351939224 /nfs/dbraw/zinc/93/92/24/351939224.db2.gz VTXQNHQLINKENB-MNXVOIDGSA-N 2 2 299.415 0.359 20 0 CCADLP C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000195127697 351897646 /nfs/dbraw/zinc/89/76/46/351897646.db2.gz ZAUUPMFGYWLHAK-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C)[NH+]1CCOCC1 ZINC000195127697 351897647 /nfs/dbraw/zinc/89/76/47/351897647.db2.gz ZAUUPMFGYWLHAK-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP O=C(NCc1cccnc1-n1cc[nH+]c1)[C@H]1CCC[NH2+]C1 ZINC000195153668 351899042 /nfs/dbraw/zinc/89/90/42/351899042.db2.gz FAVLRQKTROKMPD-ZDUSSCGKSA-N 2 2 285.351 0.883 20 0 CCADLP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195248047 351904896 /nfs/dbraw/zinc/90/48/96/351904896.db2.gz VYJFOQIMXDYIOU-BETUJISGSA-N 2 2 283.335 0.559 20 0 CCADLP CC(C)[NH2+]C1CCN(c2nc3c(cnn3C)c(N)[nH+]2)CC1 ZINC000195262470 351906377 /nfs/dbraw/zinc/90/63/77/351906377.db2.gz MIKBWQKKDOBVEI-UHFFFAOYSA-N 2 2 289.387 0.912 20 0 CCADLP CNC(=O)C[NH+]1CCC(Nc2cc(C)[nH+]cn2)CC1 ZINC000220572415 351973885 /nfs/dbraw/zinc/97/38/85/351973885.db2.gz OKLPYKHGBUEGCR-UHFFFAOYSA-N 2 2 263.345 0.407 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3nnnn3C3CC3)C[C@H]21 ZINC000228473888 352074979 /nfs/dbraw/zinc/07/49/79/352074979.db2.gz FMZVWRVFDMLSSR-MVWJERBFSA-N 2 2 262.361 0.567 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3nnnn3C3CC3)C[C@H]21 ZINC000228473888 352074981 /nfs/dbraw/zinc/07/49/81/352074981.db2.gz FMZVWRVFDMLSSR-MVWJERBFSA-N 2 2 262.361 0.567 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C)C(C)C ZINC000228079142 352067655 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NC(=O)NC(=O)C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000230021935 352100711 /nfs/dbraw/zinc/10/07/11/352100711.db2.gz SOFDRZCYYFWXIZ-UHFFFAOYSA-N 2 2 264.329 0.032 20 0 CCADLP NC(=O)NC(=O)C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000230021935 352100713 /nfs/dbraw/zinc/10/07/13/352100713.db2.gz SOFDRZCYYFWXIZ-UHFFFAOYSA-N 2 2 264.329 0.032 20 0 CCADLP CN(C)C(=O)C[NH+]1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000230393265 352114909 /nfs/dbraw/zinc/11/49/09/352114909.db2.gz QUAWSZQKEQSIJM-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000237008925 352235914 /nfs/dbraw/zinc/23/59/14/352235914.db2.gz OOZYBHHQLGLERC-JSGCOSHPSA-N 2 2 293.415 0.438 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)N1CC[NH+](CCOC)CC1 ZINC000236637490 352201773 /nfs/dbraw/zinc/20/17/73/352201773.db2.gz VJUMNASHXBCVHD-UHFFFAOYSA-N 2 2 271.405 0.542 20 0 CCADLP CCC[C@H]([NH3+])C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000236825644 352218865 /nfs/dbraw/zinc/21/88/65/352218865.db2.gz JLOWXBUZIXMXAF-LBPRGKRZSA-N 2 2 279.388 0.192 20 0 CCADLP [NH3+]C[C@@H]1CCCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655413883 412562374 /nfs/dbraw/zinc/56/23/74/412562374.db2.gz LJYXHDHJXZTXLZ-RYUDHWBXSA-N 2 2 262.357 0.785 20 0 CCADLP C[NH2+]CC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000237260424 352256776 /nfs/dbraw/zinc/25/67/76/352256776.db2.gz KFYMUESRRQHBDB-AWEZNQCLSA-N 2 2 288.351 0.854 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@H]([NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000237507197 352268758 /nfs/dbraw/zinc/26/87/58/352268758.db2.gz XRJLPKGLADGAHH-GZBFAFLISA-N 2 2 291.395 0.912 20 0 CCADLP C[C@@H](CNC(=O)[C@H]([NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000237592349 352274163 /nfs/dbraw/zinc/27/41/63/352274163.db2.gz TWTKZQMIIOAHDQ-GXTWGEPZSA-N 2 2 277.368 0.523 20 0 CCADLP O=C(NCC[C@@H]1CC[NH2+]C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655414853 412563212 /nfs/dbraw/zinc/56/32/12/412563212.db2.gz VMIONAGDZNYCJP-NWDGAFQWSA-N 2 2 262.357 0.561 20 0 CCADLP COCC[NH2+]CC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000237205837 352252398 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C[NH+]1CCC[C@H]2C[N@H+](CC(=O)NCC3CC3)CC[C@H]21 ZINC000247120165 352400073 /nfs/dbraw/zinc/40/00/73/352400073.db2.gz AKRPJPZHDYGMFB-UONOGXRCSA-N 2 2 265.401 0.929 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)NCC3CC3)CC[C@H]21 ZINC000247120165 352400078 /nfs/dbraw/zinc/40/00/78/352400078.db2.gz AKRPJPZHDYGMFB-UONOGXRCSA-N 2 2 265.401 0.929 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NC[C@H]1CCCO1 ZINC000252683839 352522352 /nfs/dbraw/zinc/52/23/52/352522352.db2.gz FHIGJIHONUFXNZ-GRYCIOLGSA-N 2 2 255.362 0.093 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NC[C@H]1CCCO1 ZINC000252683839 352522354 /nfs/dbraw/zinc/52/23/54/352522354.db2.gz FHIGJIHONUFXNZ-GRYCIOLGSA-N 2 2 255.362 0.093 20 0 CCADLP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261587054 352561832 /nfs/dbraw/zinc/56/18/32/352561832.db2.gz UUIOBEHHJGKJPP-RVMXOQNASA-N 2 2 253.390 0.973 20 0 CCADLP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261587054 352561835 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ZINC000267927870 352798103 /nfs/dbraw/zinc/79/81/03/352798103.db2.gz LASKIAJROBHFCE-LBPRGKRZSA-N 2 2 250.346 0.444 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000418689218 234207268 /nfs/dbraw/zinc/20/72/68/234207268.db2.gz BVEQXRGJIXRUSL-CHWSQXEVSA-N 2 2 291.399 0.645 20 0 CCADLP C[C@@H](NC(=O)N1CC[NH+](Cc2ccncc2)CC1)[C@H](C)[NH3+] ZINC000418689220 234207840 /nfs/dbraw/zinc/20/78/40/234207840.db2.gz BVEQXRGJIXRUSL-QWHCGFSZSA-N 2 2 291.399 0.645 20 0 CCADLP COC(=O)C[C@H]1C[N@H+](CCCn2cc[nH+]c2C)CCO1 ZINC000270691980 352968142 /nfs/dbraw/zinc/96/81/42/352968142.db2.gz WJCRUEGCZNGDMK-ZDUSSCGKSA-N 2 2 281.356 0.846 20 0 CCADLP COC(=O)C[C@H]1C[N@@H+](CCCn2cc[nH+]c2C)CCO1 ZINC000270691980 352968145 /nfs/dbraw/zinc/96/81/45/352968145.db2.gz WJCRUEGCZNGDMK-ZDUSSCGKSA-N 2 2 281.356 0.846 20 0 CCADLP Cc1cc(C)c(CNC(=O)C(=O)N2CC[NH2+][C@H](C)C2)c[nH+]1 ZINC000418883244 234252071 /nfs/dbraw/zinc/25/20/71/234252071.db2.gz BXJNEPDVPOGXHO-GFCCVEGCSA-N 2 2 290.367 0.135 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000271174809 353029273 /nfs/dbraw/zinc/02/92/73/353029273.db2.gz YSFXOCQIPLZBHG-LBPRGKRZSA-N 2 2 277.372 0.757 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000271174809 353029275 /nfs/dbraw/zinc/02/92/75/353029275.db2.gz YSFXOCQIPLZBHG-LBPRGKRZSA-N 2 2 277.372 0.757 20 0 CCADLP Cc1[nH+]ccn1CCC[NH+]1CCN(C(=O)[C@@H](C)O)CC1 ZINC000270941765 353006500 /nfs/dbraw/zinc/00/65/00/353006500.db2.gz YTLSFZOIYLBMKB-GFCCVEGCSA-N 2 2 280.372 0.107 20 0 CCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCn3cc[nH+]c3)[C@H]2C1 ZINC000272157244 353039392 /nfs/dbraw/zinc/03/93/92/353039392.db2.gz CZQBSMDTJPUOKK-OLZOCXBDSA-N 2 2 277.372 0.619 20 0 CCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)NCCn3cc[nH+]c3)[C@H]2C1 ZINC000272157244 353039394 /nfs/dbraw/zinc/03/93/94/353039394.db2.gz CZQBSMDTJPUOKK-OLZOCXBDSA-N 2 2 277.372 0.619 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000272297069 353051057 /nfs/dbraw/zinc/05/10/57/353051057.db2.gz COABETFGAPVLMH-NWDGAFQWSA-N 2 2 277.372 0.656 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000272297069 353051059 /nfs/dbraw/zinc/05/10/59/353051059.db2.gz COABETFGAPVLMH-NWDGAFQWSA-N 2 2 277.372 0.656 20 0 CCADLP [NH3+]C[C@@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)CCO1 ZINC000274716827 353155924 /nfs/dbraw/zinc/15/59/24/353155924.db2.gz AOKHAMNICBZTSF-GFCCVEGCSA-N 2 2 274.324 0.063 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CCO1 ZINC000655446567 412573084 /nfs/dbraw/zinc/57/30/84/412573084.db2.gz WKZYIHNMHRBCLI-VNHYZAJKSA-N 2 2 281.400 0.213 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CCO1 ZINC000655446567 412573086 /nfs/dbraw/zinc/57/30/86/412573086.db2.gz WKZYIHNMHRBCLI-VNHYZAJKSA-N 2 2 281.400 0.213 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000275114568 353186398 /nfs/dbraw/zinc/18/63/98/353186398.db2.gz SKEOBEOFGFASOQ-STQMWFEESA-N 2 2 279.388 0.865 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCn1cc[nH+]c1 ZINC000153823319 188106426 /nfs/dbraw/zinc/10/64/26/188106426.db2.gz VBEQAMLAYJUEEH-OLZOCXBDSA-N 2 2 279.388 0.865 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCCn1cc[nH+]c1 ZINC000153823319 188106428 /nfs/dbraw/zinc/10/64/28/188106428.db2.gz VBEQAMLAYJUEEH-OLZOCXBDSA-N 2 2 279.388 0.865 20 0 CCADLP C[C@@H](C(=O)NCc1cn2c([nH+]1)CCCC2)[C@H](C)[NH3+] ZINC000276939100 353211467 /nfs/dbraw/zinc/21/14/67/353211467.db2.gz BPTJEILETFJAMY-ZJUUUORDSA-N 2 2 250.346 0.819 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655449572 412574442 /nfs/dbraw/zinc/57/44/42/412574442.db2.gz JGRZMALKKIWBQL-IIAWOOMASA-N 2 2 294.443 0.128 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000277796410 353266085 /nfs/dbraw/zinc/26/60/85/353266085.db2.gz NDIAFRUZQNRRKP-CYBMUJFWSA-N 2 2 291.399 0.580 20 0 CCADLP CN(C[C@H]1CCC[N@H+](C)C1)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000278340316 353294634 /nfs/dbraw/zinc/29/46/34/353294634.db2.gz JBAIBAWKNQAXKF-JTQLQIEISA-N 2 2 289.387 0.724 20 0 CCADLP CN(C[C@H]1CCC[N@@H+](C)C1)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000278340316 353294636 /nfs/dbraw/zinc/29/46/36/353294636.db2.gz JBAIBAWKNQAXKF-JTQLQIEISA-N 2 2 289.387 0.724 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000280100191 353337899 /nfs/dbraw/zinc/33/78/99/353337899.db2.gz ZUACUNFKYSNGKQ-CQSZACIVSA-N 2 2 294.399 0.316 20 0 CCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000655452176 412577624 /nfs/dbraw/zinc/57/76/24/412577624.db2.gz DZLBJJWTWRICQZ-WFASDCNBSA-N 2 2 274.368 0.658 20 0 CCADLP C[C@]1(C[NH3+])CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000655460331 412580677 /nfs/dbraw/zinc/58/06/77/412580677.db2.gz KZPKBSKWDVAJRE-BXUZGUMPSA-N 2 2 262.357 0.643 20 0 CCADLP COCC[N@@H+]1CC[C@H]([NH2+]Cc2c[nH]c3nccnc23)C1 ZINC000290816988 353751818 /nfs/dbraw/zinc/75/18/18/353751818.db2.gz GQHVBFJKBODRQU-LBPRGKRZSA-N 2 2 275.356 0.768 20 0 CCADLP COCC[N@H+]1CC[C@H]([NH2+]Cc2c[nH]c3nccnc23)C1 ZINC000290816988 353751820 /nfs/dbraw/zinc/75/18/20/353751820.db2.gz GQHVBFJKBODRQU-LBPRGKRZSA-N 2 2 275.356 0.768 20 0 CCADLP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000296520715 353950486 /nfs/dbraw/zinc/95/04/86/353950486.db2.gz SADIVFQCXOJJAG-HIFRSBDPSA-N 2 2 291.395 0.832 20 0 CCADLP C[C@H](O)CNc1cc(NC[C@H](C)C[NH+](C)C)[nH+]cn1 ZINC000298873074 353975309 /nfs/dbraw/zinc/97/53/09/353975309.db2.gz KIYGEADHRKWKTB-QWRGUYRKSA-N 2 2 267.377 0.879 20 0 CCADLP C[C@H](O)CNc1cc(NC[C@H](C)C[NH+](C)C)nc[nH+]1 ZINC000298873074 353975311 /nfs/dbraw/zinc/97/53/11/353975311.db2.gz KIYGEADHRKWKTB-QWRGUYRKSA-N 2 2 267.377 0.879 20 0 CCADLP Cc1cc(NC[C@H]2C[NH2+]C[C@@H]2O)nc(C(C)C)[nH+]1 ZINC000420251209 234573683 /nfs/dbraw/zinc/57/36/83/234573683.db2.gz LATRPGWNKIYRKT-MNOVXSKESA-N 2 2 250.346 0.323 20 0 CCADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CC[NH+](C)CC1 ZINC000299531138 354024621 /nfs/dbraw/zinc/02/46/21/354024621.db2.gz TUWJGQRPMURDJG-LBPRGKRZSA-N 2 2 279.388 0.785 20 0 CCADLP CC(C)[C@@H](CNc1cc[nH+]c(N(C)C)n1)[NH+]1CCOCC1 ZINC000607059187 363334894 /nfs/dbraw/zinc/33/48/94/363334894.db2.gz ZZFJQVKJSLTVRC-CYBMUJFWSA-N 2 2 293.415 0.733 20 0 CCADLP Cn1cccc1C[N@H+](CCO)C1CC[NH+](C)CC1 ZINC000305220079 354139912 /nfs/dbraw/zinc/13/99/12/354139912.db2.gz SUUVWAIBJXQGRN-UHFFFAOYSA-N 2 2 251.374 0.914 20 0 CCADLP Cn1cccc1C[N@@H+](CCO)C1CC[NH+](C)CC1 ZINC000305220079 354139914 /nfs/dbraw/zinc/13/99/14/354139914.db2.gz SUUVWAIBJXQGRN-UHFFFAOYSA-N 2 2 251.374 0.914 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000310988041 354195407 /nfs/dbraw/zinc/19/54/07/354195407.db2.gz KVCRNYCDOGYQKU-VHSXEESVSA-N 2 2 269.311 0.135 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000310988041 354195409 /nfs/dbraw/zinc/19/54/09/354195409.db2.gz KVCRNYCDOGYQKU-VHSXEESVSA-N 2 2 269.311 0.135 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1CCCCO1 ZINC000311744417 354203243 /nfs/dbraw/zinc/20/32/43/354203243.db2.gz TYFUKLQNDWAEQI-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1CCCCO1 ZINC000311744417 354203247 /nfs/dbraw/zinc/20/32/47/354203247.db2.gz TYFUKLQNDWAEQI-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)C[C@@H]1CCCCO1 ZINC000311744417 354203250 /nfs/dbraw/zinc/20/32/50/354203250.db2.gz TYFUKLQNDWAEQI-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000311744417 354203255 /nfs/dbraw/zinc/20/32/55/354203255.db2.gz TYFUKLQNDWAEQI-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP CCCCOC[C@@H](O)C[NH2+]CCc1cn(C)c[nH+]1 ZINC000313256331 354213001 /nfs/dbraw/zinc/21/30/01/354213001.db2.gz UCJAEAWRCBLVGE-ZDUSSCGKSA-N 2 2 255.362 0.730 20 0 CCADLP O=S1(=O)CCCN1CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000328651849 354246084 /nfs/dbraw/zinc/24/60/84/354246084.db2.gz JVGQJGZXTCREFC-UHFFFAOYSA-N 2 2 298.412 0.625 20 0 CCADLP CC[NH2+]CCCNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000557151662 291023949 /nfs/dbraw/zinc/02/39/49/291023949.db2.gz WCZKLKJUNILKOB-GFCCVEGCSA-N 2 2 272.393 0.006 20 0 CCADLP CC[NH2+]CCCNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000557151662 291023951 /nfs/dbraw/zinc/02/39/51/291023951.db2.gz WCZKLKJUNILKOB-GFCCVEGCSA-N 2 2 272.393 0.006 20 0 CCADLP Cc1nc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)nc(N(C)C)[nH+]1 ZINC000330216346 354308520 /nfs/dbraw/zinc/30/85/20/354308520.db2.gz NARYRVWXHIIQLY-KOLCDFICSA-N 2 2 276.388 0.705 20 0 CCADLP Cc1nc(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)nc(N(C)C)[nH+]1 ZINC000330216346 354308521 /nfs/dbraw/zinc/30/85/21/354308521.db2.gz NARYRVWXHIIQLY-KOLCDFICSA-N 2 2 276.388 0.705 20 0 CCADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC000328799371 283011787 /nfs/dbraw/zinc/01/17/87/283011787.db2.gz HEXCBQBLRUMYKE-UONOGXRCSA-N 2 2 286.335 0.489 20 0 CCADLP C[N@H+]1CCO[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC000328799371 283011789 /nfs/dbraw/zinc/01/17/89/283011789.db2.gz HEXCBQBLRUMYKE-UONOGXRCSA-N 2 2 286.335 0.489 20 0 CCADLP C[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(C)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000329901634 354271573 /nfs/dbraw/zinc/27/15/73/354271573.db2.gz OSVKLASPHGTHFW-IJLUTSLNSA-N 2 2 276.340 0.523 20 0 CCADLP C[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(C)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000329901634 354271576 /nfs/dbraw/zinc/27/15/76/354271576.db2.gz OSVKLASPHGTHFW-IJLUTSLNSA-N 2 2 276.340 0.523 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCOCC2)C1 ZINC000362226970 535261282 /nfs/dbraw/zinc/26/12/82/535261282.db2.gz PNBKSDNRYZUPAY-GJZGRUSLSA-N 2 2 297.443 0.897 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCOCC2)C1 ZINC000362226970 535261284 /nfs/dbraw/zinc/26/12/84/535261284.db2.gz PNBKSDNRYZUPAY-GJZGRUSLSA-N 2 2 297.443 0.897 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@H]1CSC[NH2+]1 ZINC000573966975 334981217 /nfs/dbraw/zinc/98/12/17/334981217.db2.gz HWZUBUQLUFCOFU-SNVBAGLBSA-N 2 2 254.359 0.394 20 0 CCADLP CC[C@](C)(O)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000331230741 354499544 /nfs/dbraw/zinc/49/95/44/354499544.db2.gz PYQODCCFHGIABN-ZDUSSCGKSA-N 2 2 252.362 0.688 20 0 CCADLP C[C@H](C(=O)NCCCn1cc[nH+]c1)[NH+]1CC(C)C1 ZINC000557443932 291033042 /nfs/dbraw/zinc/03/30/42/291033042.db2.gz IJERTPTUGDDDDF-GFCCVEGCSA-N 2 2 250.346 0.730 20 0 CCADLP NC(=O)NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000331245018 354503555 /nfs/dbraw/zinc/50/35/55/354503555.db2.gz PCBUNSVRFIPVAS-UHFFFAOYSA-N 2 2 251.290 0.198 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000331356382 354549191 /nfs/dbraw/zinc/54/91/91/354549191.db2.gz RVRLBNRQMZNDBQ-NEPJUHHUSA-N 2 2 280.372 0.105 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000331356382 354549197 /nfs/dbraw/zinc/54/91/97/354549197.db2.gz RVRLBNRQMZNDBQ-NEPJUHHUSA-N 2 2 280.372 0.105 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)[N@H+](C)C1 ZINC000332269423 354637487 /nfs/dbraw/zinc/63/74/87/354637487.db2.gz CDPXDBMRQMIKNA-XBFCOCLRSA-N 2 2 294.399 0.663 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)[N@@H+](C)C1 ZINC000332269423 354637490 /nfs/dbraw/zinc/63/74/90/354637490.db2.gz CDPXDBMRQMIKNA-XBFCOCLRSA-N 2 2 294.399 0.663 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000332546252 354694115 /nfs/dbraw/zinc/69/41/15/354694115.db2.gz GKIMMZKFOSWQPS-ZDUSSCGKSA-N 2 2 293.415 0.334 20 0 CCADLP CCC([NH3+])(CC)CNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000332696394 354723499 /nfs/dbraw/zinc/72/34/99/354723499.db2.gz SOPGWEDQCAGJRP-OLZOCXBDSA-N 2 2 298.431 0.618 20 0 CCADLP CCC([NH3+])(CC)CNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000332696394 354723503 /nfs/dbraw/zinc/72/35/03/354723503.db2.gz SOPGWEDQCAGJRP-OLZOCXBDSA-N 2 2 298.431 0.618 20 0 CCADLP CCC([NH3+])(CC)CNC(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000332696401 354723830 /nfs/dbraw/zinc/72/38/30/354723830.db2.gz SOPGWEDQCAGJRP-STQMWFEESA-N 2 2 298.431 0.618 20 0 CCADLP CCC([NH3+])(CC)CNC(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000332696401 354723835 /nfs/dbraw/zinc/72/38/35/354723835.db2.gz SOPGWEDQCAGJRP-STQMWFEESA-N 2 2 298.431 0.618 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333674444 354774081 /nfs/dbraw/zinc/77/40/81/354774081.db2.gz NSFRAGWHBQDGGK-IAQYHMDHSA-N 2 2 294.399 0.439 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333674444 354774085 /nfs/dbraw/zinc/77/40/85/354774085.db2.gz NSFRAGWHBQDGGK-IAQYHMDHSA-N 2 2 294.399 0.439 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000333849047 354805222 /nfs/dbraw/zinc/80/52/22/354805222.db2.gz PQLBDUVRJMMYGW-MQYQWHSLSA-N 2 2 296.415 0.147 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000333849047 354805228 /nfs/dbraw/zinc/80/52/28/354805228.db2.gz PQLBDUVRJMMYGW-MQYQWHSLSA-N 2 2 296.415 0.147 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+]([C@H]2CCN(c3ccccc3)C2=O)CCCO1 ZINC000333901107 354812705 /nfs/dbraw/zinc/81/27/05/354812705.db2.gz ZGKAVRDXIONCKP-GJZGRUSLSA-N 2 2 289.379 0.842 20 0 CCADLP [NH3+]C[C@H]1C[N@H+]([C@H]2CCN(c3ccccc3)C2=O)CCCO1 ZINC000333901107 354812707 /nfs/dbraw/zinc/81/27/07/354812707.db2.gz ZGKAVRDXIONCKP-GJZGRUSLSA-N 2 2 289.379 0.842 20 0 CCADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cnnn1C ZINC000423122169 234930959 /nfs/dbraw/zinc/93/09/59/234930959.db2.gz JMJYUNQEMAKKST-FZMZJTMJSA-N 2 2 259.357 0.863 20 0 CCADLP Cc1nc(NC[C@H](O)C[NH+]2CCC(C)CC2)cc[nH+]1 ZINC000608014605 363392998 /nfs/dbraw/zinc/39/29/98/363392998.db2.gz WZJMPTQISCYZFF-ZDUSSCGKSA-N 2 2 264.373 0.712 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000334042755 354841407 /nfs/dbraw/zinc/84/14/07/354841407.db2.gz OWMQHXRXSNSIKD-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H](C[NH3+])NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000423545573 235002959 /nfs/dbraw/zinc/00/29/59/235002959.db2.gz XYVDKRHTJXKIKU-PWSUYJOCSA-N 2 2 255.362 0.093 20 0 CCADLP C[C@H](C[NH3+])NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000423545573 235002962 /nfs/dbraw/zinc/00/29/62/235002962.db2.gz XYVDKRHTJXKIKU-PWSUYJOCSA-N 2 2 255.362 0.093 20 0 CCADLP CC(C)[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000336787730 355160668 /nfs/dbraw/zinc/16/06/68/355160668.db2.gz MOTLJZXNMIFQTE-UONOGXRCSA-N 2 2 256.390 0.657 20 0 CCADLP CC(C)[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000336787730 355160672 /nfs/dbraw/zinc/16/06/72/355160672.db2.gz MOTLJZXNMIFQTE-UONOGXRCSA-N 2 2 256.390 0.657 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+](CCO)Cc1ccccc1)C1CC1 ZINC000336725082 355150732 /nfs/dbraw/zinc/15/07/32/355150732.db2.gz XMOVIBWHGCGXDT-MRXNPFEDSA-N 2 2 278.396 0.936 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+](CCO)Cc1ccccc1)C1CC1 ZINC000336725082 355150736 /nfs/dbraw/zinc/15/07/36/355150736.db2.gz XMOVIBWHGCGXDT-MRXNPFEDSA-N 2 2 278.396 0.936 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+](CCO)Cc1ccccc1)C1CC1 ZINC000336725082 355150742 /nfs/dbraw/zinc/15/07/42/355150742.db2.gz XMOVIBWHGCGXDT-MRXNPFEDSA-N 2 2 278.396 0.936 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+](CCO)Cc1ccccc1)C1CC1 ZINC000336725082 355150746 /nfs/dbraw/zinc/15/07/46/355150746.db2.gz XMOVIBWHGCGXDT-MRXNPFEDSA-N 2 2 278.396 0.936 20 0 CCADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC000336726662 355151657 /nfs/dbraw/zinc/15/16/57/355151657.db2.gz LNNJSRYLPWZDKG-QWHCGFSZSA-N 2 2 251.374 0.539 20 0 CCADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+]([C@@H]2CCNC2=O)C1 ZINC000336726662 355151662 /nfs/dbraw/zinc/15/16/62/355151662.db2.gz LNNJSRYLPWZDKG-QWHCGFSZSA-N 2 2 251.374 0.539 20 0 CCADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000336726662 355151667 /nfs/dbraw/zinc/15/16/67/355151667.db2.gz LNNJSRYLPWZDKG-QWHCGFSZSA-N 2 2 251.374 0.539 20 0 CCADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC000336726662 355151671 /nfs/dbraw/zinc/15/16/71/355151671.db2.gz LNNJSRYLPWZDKG-QWHCGFSZSA-N 2 2 251.374 0.539 20 0 CCADLP CN(C)c1nc(N2CC[NH+](C[C@H]3CCOC3)CC2)cc[nH+]1 ZINC000336835499 355208552 /nfs/dbraw/zinc/20/85/52/355208552.db2.gz JENCKXUCZXKVGP-CYBMUJFWSA-N 2 2 291.399 0.701 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+]([C@@H]2CCN(C3CC3)C2=O)CC1 ZINC000336841109 355211630 /nfs/dbraw/zinc/21/16/30/355211630.db2.gz NSSCIEYJFZAUBJ-OAHLLOKOSA-N 2 2 295.427 0.528 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+]([C@@H]2CCN(C3CC3)C2=O)CC1 ZINC000336841109 355211632 /nfs/dbraw/zinc/21/16/32/355211632.db2.gz NSSCIEYJFZAUBJ-OAHLLOKOSA-N 2 2 295.427 0.528 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000336842508 355213316 /nfs/dbraw/zinc/21/33/16/355213316.db2.gz SPSRWMRECNJOKE-GJZGRUSLSA-N 2 2 294.443 0.367 20 0 CCADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000336842508 355213320 /nfs/dbraw/zinc/21/33/20/355213320.db2.gz SPSRWMRECNJOKE-GJZGRUSLSA-N 2 2 294.443 0.367 20 0 CCADLP [NH3+][C@@H]1C[C@@H]1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000424172217 235169041 /nfs/dbraw/zinc/16/90/41/235169041.db2.gz DALNJGHJFWXVDG-NWDGAFQWSA-N 2 2 256.309 0.836 20 0 CCADLP CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000336845651 355214542 /nfs/dbraw/zinc/21/45/42/355214542.db2.gz CHMBRJXARNINPV-ZNMIVQPWSA-N 2 2 296.459 0.659 20 0 CCADLP CCCCNC(=O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357649524 535281172 /nfs/dbraw/zinc/28/11/72/535281172.db2.gz MVFXHEZRFKVMJR-UHFFFAOYSA-N 2 2 271.405 0.291 20 0 CCADLP CCCCNC(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357649524 535281177 /nfs/dbraw/zinc/28/11/77/535281177.db2.gz MVFXHEZRFKVMJR-UHFFFAOYSA-N 2 2 271.405 0.291 20 0 CCADLP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424191980 235173965 /nfs/dbraw/zinc/17/39/65/235173965.db2.gz OIMYJOXGHGLVES-BDAKNGLRSA-N 2 2 261.316 0.488 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424460221 235208107 /nfs/dbraw/zinc/20/81/07/235208107.db2.gz AROJOCKYMIMIQR-GMTAPVOTSA-N 2 2 290.358 0.610 20 0 CCADLP C[N@H+](CCC[NH+]1CCCC1)CC(=O)NC[C@H]1CCCO1 ZINC000337277846 355295606 /nfs/dbraw/zinc/29/56/06/355295606.db2.gz RYXHQWZNDXNGFM-CQSZACIVSA-N 2 2 283.416 0.699 20 0 CCADLP C[N@@H+](CCC[NH+]1CCCC1)CC(=O)NC[C@H]1CCCO1 ZINC000337277846 355295608 /nfs/dbraw/zinc/29/56/08/355295608.db2.gz RYXHQWZNDXNGFM-CQSZACIVSA-N 2 2 283.416 0.699 20 0 CCADLP C[C@H]1C[C@@H]1CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340256681 355538919 /nfs/dbraw/zinc/53/89/19/355538919.db2.gz YWXWHXWMPYXZPN-QWHCGFSZSA-N 2 2 282.432 0.968 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NCC[N@H+]2CCOC[C@@H]2C)CC[NH+]1C ZINC000341116997 355609516 /nfs/dbraw/zinc/60/95/16/355609516.db2.gz FYWRUDXNCVFTHP-RDBSUJKOSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC[NH+]1C ZINC000341116997 355609518 /nfs/dbraw/zinc/60/95/18/355609518.db2.gz FYWRUDXNCVFTHP-RDBSUJKOSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NCC[NH+]2CCOC[C@@H]2C)CC[N@@H+]1C ZINC000341116997 355609519 /nfs/dbraw/zinc/60/95/19/355609519.db2.gz FYWRUDXNCVFTHP-RDBSUJKOSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NCC[NH+]2CCOC[C@@H]2C)CC[N@H+]1C ZINC000341116997 355609520 /nfs/dbraw/zinc/60/95/20/355609520.db2.gz FYWRUDXNCVFTHP-RDBSUJKOSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428042111 235393132 /nfs/dbraw/zinc/39/31/32/235393132.db2.gz LCEKKWZUKHAJIS-JFGNBEQYSA-N 2 2 280.372 0.047 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428042111 235393134 /nfs/dbraw/zinc/39/31/34/235393134.db2.gz LCEKKWZUKHAJIS-JFGNBEQYSA-N 2 2 280.372 0.047 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000348278603 355901805 /nfs/dbraw/zinc/90/18/05/355901805.db2.gz WMLZEKCBDZLKMC-CHWSQXEVSA-N 2 2 267.373 0.014 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000348278603 355901811 /nfs/dbraw/zinc/90/18/11/355901811.db2.gz WMLZEKCBDZLKMC-CHWSQXEVSA-N 2 2 267.373 0.014 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000348338239 355914566 /nfs/dbraw/zinc/91/45/66/355914566.db2.gz VDXYSLNNDHUEJJ-ZYHUDNBSSA-N 2 2 263.341 0.904 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000348338239 355914571 /nfs/dbraw/zinc/91/45/71/355914571.db2.gz VDXYSLNNDHUEJJ-ZYHUDNBSSA-N 2 2 263.341 0.904 20 0 CCADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000348367504 355921350 /nfs/dbraw/zinc/92/13/50/355921350.db2.gz COVPCCVVFNIWOP-KFWWJZLASA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCCCNC2=O)s1 ZINC000352737648 356066848 /nfs/dbraw/zinc/06/68/48/356066848.db2.gz KUZFEWVZZRVLPM-LLVKDONJSA-N 2 2 282.413 0.963 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000352776492 356077828 /nfs/dbraw/zinc/07/78/28/356077828.db2.gz SWESOZKCSIWJJC-STQMWFEESA-N 2 2 292.383 0.597 20 0 CCADLP C[C@@H](C(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000352782160 356079096 /nfs/dbraw/zinc/07/90/96/356079096.db2.gz UKUUNIVTRCLWQU-MCIONIFRSA-N 2 2 282.432 0.173 20 0 CCADLP C[C@@H](C(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000352782160 356079105 /nfs/dbraw/zinc/07/91/05/356079105.db2.gz UKUUNIVTRCLWQU-MCIONIFRSA-N 2 2 282.432 0.173 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000352818446 356089949 /nfs/dbraw/zinc/08/99/49/356089949.db2.gz LRQHWPXJPHQXSK-FRRDWIJNSA-N 2 2 286.420 0.345 20 0 CCADLP C[C@H]1OCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353094250 356156434 /nfs/dbraw/zinc/15/64/34/356156434.db2.gz VHBLSYXCMAQGJW-OIYCOIKZSA-N 2 2 295.427 0.837 20 0 CCADLP C[C@H]1OCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353094250 356156438 /nfs/dbraw/zinc/15/64/38/356156438.db2.gz VHBLSYXCMAQGJW-OIYCOIKZSA-N 2 2 295.427 0.837 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CO1 ZINC000352988578 356129400 /nfs/dbraw/zinc/12/94/00/356129400.db2.gz LQHCCSFOFNYKQZ-QWHCGFSZSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000353426259 356219783 /nfs/dbraw/zinc/21/97/83/356219783.db2.gz IVRZXIILSKCXQA-RDBSUJKOSA-N 2 2 282.432 0.127 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000353464079 356229679 /nfs/dbraw/zinc/22/96/79/356229679.db2.gz XBMCOWWYXRFREP-PWSUYJOCSA-N 2 2 250.346 0.703 20 0 CCADLP O=C(NCc1cn2c([nH+]1)CCCC2)C1CC[NH2+]CC1 ZINC000353575818 356251781 /nfs/dbraw/zinc/25/17/81/356251781.db2.gz FTGDLCGGDMBXGU-UHFFFAOYSA-N 2 2 262.357 0.835 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@@]2(C)CCC[NH2+]C2)CCO1 ZINC000353587476 356254731 /nfs/dbraw/zinc/25/47/31/356254731.db2.gz HBJZFCGDWZEJBP-HNNXBMFYSA-N 2 2 283.416 0.603 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@@]2(C)CCC[NH2+]C2)CCO1 ZINC000353587476 356254733 /nfs/dbraw/zinc/25/47/33/356254733.db2.gz HBJZFCGDWZEJBP-HNNXBMFYSA-N 2 2 283.416 0.603 20 0 CCADLP C[C@@H]1C[C@H](C(=O)NCC[NH+]2CCOC(C)(C)C2)CC[N@@H+]1C ZINC000353691725 356273891 /nfs/dbraw/zinc/27/38/91/356273891.db2.gz NVGPKRAKDVUCDL-ZIAGYGMSSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]1C[C@H](C(=O)NCC[NH+]2CCOC(C)(C)C2)CC[N@H+]1C ZINC000353691725 356273893 /nfs/dbraw/zinc/27/38/93/356273893.db2.gz NVGPKRAKDVUCDL-ZIAGYGMSSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]1C[C@H](C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC[NH+]1C ZINC000353691725 356273897 /nfs/dbraw/zinc/27/38/97/356273897.db2.gz NVGPKRAKDVUCDL-ZIAGYGMSSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]1C[C@H](C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC[NH+]1C ZINC000353691725 356273899 /nfs/dbraw/zinc/27/38/99/356273899.db2.gz NVGPKRAKDVUCDL-ZIAGYGMSSA-N 2 2 297.443 0.944 20 0 CCADLP Cc1cc(CC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)no1 ZINC000360893630 138015120 /nfs/dbraw/zinc/01/51/20/138015120.db2.gz FVRVFRQVRJBTOS-UHFFFAOYSA-N 2 2 294.399 0.668 20 0 CCADLP Cc1cnn(CC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000360898734 138015427 /nfs/dbraw/zinc/01/54/27/138015427.db2.gz XBNNDWAUHYYSDC-UHFFFAOYSA-N 2 2 293.415 0.334 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000353722838 356279923 /nfs/dbraw/zinc/27/99/23/356279923.db2.gz HGSZPZJIRUVFCJ-MGPQQGTHSA-N 2 2 281.400 0.308 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000353722839 356280008 /nfs/dbraw/zinc/28/00/08/356280008.db2.gz HGSZPZJIRUVFCJ-RDBSUJKOSA-N 2 2 281.400 0.308 20 0 CCADLP CN1CC[N@H+](C)[C@H](CNC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000353502542 356240963 /nfs/dbraw/zinc/24/09/63/356240963.db2.gz PXFSHGBFBPZZEK-HUUCEWRRSA-N 2 2 296.459 0.613 20 0 CCADLP CN1CC[N@@H+](C)[C@H](CNC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000353502542 356240967 /nfs/dbraw/zinc/24/09/67/356240967.db2.gz PXFSHGBFBPZZEK-HUUCEWRRSA-N 2 2 296.459 0.613 20 0 CCADLP CN1CC[NH+](C)[C@H](CNC(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000353502542 356240971 /nfs/dbraw/zinc/24/09/71/356240971.db2.gz PXFSHGBFBPZZEK-HUUCEWRRSA-N 2 2 296.459 0.613 20 0 CCADLP CN1CC[NH+](C)[C@H](CNC(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000353502542 356240974 /nfs/dbraw/zinc/24/09/74/356240974.db2.gz PXFSHGBFBPZZEK-HUUCEWRRSA-N 2 2 296.459 0.613 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCC(=O)NC2)CC1 ZINC000360954909 138017404 /nfs/dbraw/zinc/01/74/04/138017404.db2.gz PBNPTVIARLGZOG-CYBMUJFWSA-N 2 2 297.399 0.272 20 0 CCADLP Cc1nc(N2CC[NH+](C[C@H]3COCCO3)CC2)cc[nH+]1 ZINC000361025236 138019300 /nfs/dbraw/zinc/01/93/00/138019300.db2.gz KZBUHHUZAYLCNP-ZDUSSCGKSA-N 2 2 278.356 0.322 20 0 CCADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccnc(N(C)C)n1 ZINC000361045998 138020081 /nfs/dbraw/zinc/02/00/81/138020081.db2.gz NEWUMGWGJIRXTL-CYBMUJFWSA-N 2 2 293.415 0.743 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000362283187 138053799 /nfs/dbraw/zinc/05/37/99/138053799.db2.gz IVRKHPDYWYCCLU-ZDUSSCGKSA-N 2 2 295.431 0.375 20 0 CCADLP COC(=O)C(C)(C)CC[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000354333245 356392387 /nfs/dbraw/zinc/39/23/87/356392387.db2.gz XORGXHPNFLTPFH-LBPRGKRZSA-N 2 2 271.405 0.411 20 0 CCADLP COC(=O)C(C)(C)CC[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000354333245 356392393 /nfs/dbraw/zinc/39/23/93/356392393.db2.gz XORGXHPNFLTPFH-LBPRGKRZSA-N 2 2 271.405 0.411 20 0 CCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCOCC2)C1 ZINC000362470312 138061111 /nfs/dbraw/zinc/06/11/11/138061111.db2.gz VNVDPBAPLBMDCE-KBPBESRZSA-N 2 2 283.416 0.507 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCOCC2)C1 ZINC000362470312 138061112 /nfs/dbraw/zinc/06/11/12/138061112.db2.gz VNVDPBAPLBMDCE-KBPBESRZSA-N 2 2 283.416 0.507 20 0 CCADLP CN1CC[N@H+](C)[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC000362777502 138074146 /nfs/dbraw/zinc/07/41/46/138074146.db2.gz XFFOHAHFWROKOU-CQSZACIVSA-N 2 2 282.432 0.080 20 0 CCADLP CN1CC[N@@H+](C)[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC000362777502 138074147 /nfs/dbraw/zinc/07/41/47/138074147.db2.gz XFFOHAHFWROKOU-CQSZACIVSA-N 2 2 282.432 0.080 20 0 CCADLP Cc1nc(N2CC[NH+](C(C)(C)C(N)=O)CC2)c(C)c(C)[nH+]1 ZINC000354438657 356413788 /nfs/dbraw/zinc/41/37/88/356413788.db2.gz IWMQRGMZRBTUHS-UHFFFAOYSA-N 2 2 291.399 0.788 20 0 CCADLP COC(=O)CNC(=O)CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609539629 363504097 /nfs/dbraw/zinc/50/40/97/363504097.db2.gz YMIZIUSNDPPHNQ-GFCCVEGCSA-N 2 2 294.355 0.199 20 0 CCADLP COC(=O)CNC(=O)CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609539629 363504101 /nfs/dbraw/zinc/50/41/01/363504101.db2.gz YMIZIUSNDPPHNQ-GFCCVEGCSA-N 2 2 294.355 0.199 20 0 CCADLP C[N@@H+]1CCO[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]21 ZINC000328799370 202061438 /nfs/dbraw/zinc/06/14/38/202061438.db2.gz HEXCBQBLRUMYKE-KGLIPLIRSA-N 2 2 286.335 0.489 20 0 CCADLP C[N@H+]1CCO[C@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]21 ZINC000328799370 202061441 /nfs/dbraw/zinc/06/14/41/202061441.db2.gz HEXCBQBLRUMYKE-KGLIPLIRSA-N 2 2 286.335 0.489 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)NCC[NH+]1CCOC[C@H]1C ZINC000356263202 356735229 /nfs/dbraw/zinc/73/52/29/356735229.db2.gz GUIIVQHDKMOBSQ-CYBMUJFWSA-N 2 2 286.420 0.347 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)NCC[NH+]1CCOC[C@H]1C ZINC000356263202 356735231 /nfs/dbraw/zinc/73/52/31/356735231.db2.gz GUIIVQHDKMOBSQ-CYBMUJFWSA-N 2 2 286.420 0.347 20 0 CCADLP CC(C)[NH+](C)CCNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000356263202 356735235 /nfs/dbraw/zinc/73/52/35/356735235.db2.gz GUIIVQHDKMOBSQ-CYBMUJFWSA-N 2 2 286.420 0.347 20 0 CCADLP CC(C)[NH+](C)CCNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000356263202 356735239 /nfs/dbraw/zinc/73/52/39/356735239.db2.gz GUIIVQHDKMOBSQ-CYBMUJFWSA-N 2 2 286.420 0.347 20 0 CCADLP CN(C)C(=O)[C@H](c1ccccc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359298597 356796864 /nfs/dbraw/zinc/79/68/64/356796864.db2.gz FMHABEWCCZKHIO-ZNMIVQPWSA-N 2 2 273.380 0.967 20 0 CCADLP CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359298597 356796866 /nfs/dbraw/zinc/79/68/66/356796866.db2.gz FMHABEWCCZKHIO-ZNMIVQPWSA-N 2 2 273.380 0.967 20 0 CCADLP CN(C)C(=O)c1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)[nH]1 ZINC000359473799 356828622 /nfs/dbraw/zinc/82/86/22/356828622.db2.gz OEVXAESSJZTCTJ-QWRGUYRKSA-N 2 2 262.357 0.368 20 0 CCADLP O=C(CCCC[NH+]1CCOCC1)NCc1c[nH+]c[nH]1 ZINC000359603296 356856156 /nfs/dbraw/zinc/85/61/56/356856156.db2.gz VLKXORXWOCOAJO-UHFFFAOYSA-N 2 2 266.345 0.528 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(c2cc[nH+]c(N(C)C)n2)[C@H](C)C1 ZINC000359647023 356863894 /nfs/dbraw/zinc/86/38/94/356863894.db2.gz LIDOAZWNVWXITF-NEPJUHHUSA-N 2 2 279.388 0.434 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(c2cc[nH+]c(N(C)C)n2)[C@H](C)C1 ZINC000359647023 356863897 /nfs/dbraw/zinc/86/38/97/356863897.db2.gz LIDOAZWNVWXITF-NEPJUHHUSA-N 2 2 279.388 0.434 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(c2cc[nH+]c(N(C)C)n2)[C@@H](C)C1 ZINC000359647025 356864068 /nfs/dbraw/zinc/86/40/68/356864068.db2.gz LIDOAZWNVWXITF-NWDGAFQWSA-N 2 2 279.388 0.434 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(c2cc[nH+]c(N(C)C)n2)[C@@H](C)C1 ZINC000359647025 356864073 /nfs/dbraw/zinc/86/40/73/356864073.db2.gz LIDOAZWNVWXITF-NWDGAFQWSA-N 2 2 279.388 0.434 20 0 CCADLP CO[C@@](C)(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C1CC1 ZINC000360326643 356992347 /nfs/dbraw/zinc/99/23/47/356992347.db2.gz HLJYSDVTUZNQMJ-MRXNPFEDSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H](O)CO ZINC000364055969 357081658 /nfs/dbraw/zinc/08/16/58/357081658.db2.gz OCININYPUPMASA-YUELXQCFSA-N 2 2 264.369 0.450 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H](O)CO ZINC000364055969 357081661 /nfs/dbraw/zinc/08/16/61/357081661.db2.gz OCININYPUPMASA-YUELXQCFSA-N 2 2 264.369 0.450 20 0 CCADLP O=C(C[N@@H+]1CCc2sccc2C1)N[C@@H]1CCC[NH2+]C1 ZINC000364184372 357093166 /nfs/dbraw/zinc/09/31/66/357093166.db2.gz FQIHOWLNXLCZJD-GFCCVEGCSA-N 2 2 279.409 0.974 20 0 CCADLP O=C(C[N@H+]1CCc2sccc2C1)N[C@@H]1CCC[NH2+]C1 ZINC000364184372 357093169 /nfs/dbraw/zinc/09/31/69/357093169.db2.gz FQIHOWLNXLCZJD-GFCCVEGCSA-N 2 2 279.409 0.974 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H]1C[C@]12CC[NH2+]C2)[NH+]1CCOCC1 ZINC000364200156 357095194 /nfs/dbraw/zinc/09/51/94/357095194.db2.gz GQLOGNJJJXBZQD-XFMPKHEZSA-N 2 2 281.400 0.211 20 0 CCADLP CC(C)(C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCOCC1 ZINC000366991757 357263808 /nfs/dbraw/zinc/26/38/08/357263808.db2.gz ZRLRBVQMAJUMLR-KGLIPLIRSA-N 2 2 295.427 0.840 20 0 CCADLP CC(C)(C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCOCC1 ZINC000366991757 357263811 /nfs/dbraw/zinc/26/38/11/357263811.db2.gz ZRLRBVQMAJUMLR-KGLIPLIRSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(F)(F)F)C2)CC1 ZINC000369270061 357342825 /nfs/dbraw/zinc/34/28/25/357342825.db2.gz YPBWQIAPOYSJIL-SECBINFHSA-N 2 2 279.306 0.833 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(F)(F)F)C2)CC1 ZINC000369270061 357342827 /nfs/dbraw/zinc/34/28/27/357342827.db2.gz YPBWQIAPOYSJIL-SECBINFHSA-N 2 2 279.306 0.833 20 0 CCADLP CC[NH+](CC)CCNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000370318820 357353038 /nfs/dbraw/zinc/35/30/38/357353038.db2.gz YVZVXLSVLQBLOG-UHFFFAOYSA-N 2 2 283.416 0.699 20 0 CCADLP Cc1n[nH]c(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000655750570 412653612 /nfs/dbraw/zinc/65/36/12/412653612.db2.gz CIMSMZFKTCFXNU-CQSZACIVSA-N 2 2 293.415 0.889 20 0 CCADLP Cc1nc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)n[nH]1 ZINC000655750570 412653614 /nfs/dbraw/zinc/65/36/14/412653614.db2.gz CIMSMZFKTCFXNU-CQSZACIVSA-N 2 2 293.415 0.889 20 0 CCADLP Cc1nnc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)[nH]1 ZINC000655750570 412653615 /nfs/dbraw/zinc/65/36/15/412653615.db2.gz CIMSMZFKTCFXNU-CQSZACIVSA-N 2 2 293.415 0.889 20 0 CCADLP O=C1OCC[C@@H]1[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000376484991 357472241 /nfs/dbraw/zinc/47/22/41/357472241.db2.gz OWMMUASOSDUPJX-ZDUSSCGKSA-N 2 2 268.357 0.346 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000377346443 357567451 /nfs/dbraw/zinc/56/74/51/357567451.db2.gz PWCGQBWWQKZKPD-DGCLKSJQSA-N 2 2 293.371 0.083 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000377346443 357567456 /nfs/dbraw/zinc/56/74/56/357567456.db2.gz PWCGQBWWQKZKPD-DGCLKSJQSA-N 2 2 293.371 0.083 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC[NH+](CC)CC1 ZINC000376882199 357514435 /nfs/dbraw/zinc/51/44/35/357514435.db2.gz OVRUYUYJTQUOKL-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC[NH+](CC)CC1 ZINC000376882199 357514436 /nfs/dbraw/zinc/51/44/36/357514436.db2.gz OVRUYUYJTQUOKL-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP CC(C)[C@@H](O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000377130904 357540939 /nfs/dbraw/zinc/54/09/39/357540939.db2.gz SVLGFEBRPYHQKH-OAHLLOKOSA-N 2 2 297.443 0.678 20 0 CCADLP C[NH+](C)[C@H]1CCC[N@H+](CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000377266869 357559798 /nfs/dbraw/zinc/55/97/98/357559798.db2.gz MTXYDIMRJVBJJA-LBPRGKRZSA-N 2 2 296.415 0.733 20 0 CCADLP C[NH+](C)[C@H]1CCC[N@@H+](CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000377266869 357559801 /nfs/dbraw/zinc/55/98/01/357559801.db2.gz MTXYDIMRJVBJJA-LBPRGKRZSA-N 2 2 296.415 0.733 20 0 CCADLP COCC[C@H](COC)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655769689 412657895 /nfs/dbraw/zinc/65/78/95/412657895.db2.gz LZQOSMKXWHKNBE-CABCVRRESA-N 2 2 286.416 0.881 20 0 CCADLP CC(C)NC(=O)[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655777345 412657990 /nfs/dbraw/zinc/65/79/90/412657990.db2.gz UEOODIZOAAJOPN-GXTWGEPZSA-N 2 2 283.416 0.742 20 0 CCADLP Cc1nn(C)c(C)c1C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449394730 236032317 /nfs/dbraw/zinc/03/23/17/236032317.db2.gz OQFRNPAZZYJVCH-CQSZACIVSA-N 2 2 280.416 0.973 20 0 CCADLP Cc1nn(C)c(C)c1C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449394730 236032319 /nfs/dbraw/zinc/03/23/19/236032319.db2.gz OQFRNPAZZYJVCH-CQSZACIVSA-N 2 2 280.416 0.973 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCc1ccncc1 ZINC000381317179 357709297 /nfs/dbraw/zinc/70/92/97/357709297.db2.gz FGDXVMNGHMVNPC-CQSZACIVSA-N 2 2 251.374 0.869 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCc1ccncc1 ZINC000381317179 357709298 /nfs/dbraw/zinc/70/92/98/357709298.db2.gz FGDXVMNGHMVNPC-CQSZACIVSA-N 2 2 251.374 0.869 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCc1ccncc1 ZINC000381317179 357709301 /nfs/dbraw/zinc/70/93/01/357709301.db2.gz FGDXVMNGHMVNPC-CQSZACIVSA-N 2 2 251.374 0.869 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCc1ccncc1 ZINC000381317179 357709303 /nfs/dbraw/zinc/70/93/03/357709303.db2.gz FGDXVMNGHMVNPC-CQSZACIVSA-N 2 2 251.374 0.869 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)[C@H](C[NH3+])C1 ZINC000403709885 357811473 /nfs/dbraw/zinc/81/14/73/357811473.db2.gz FNAUBDITQGHEQQ-FDYHWXHSSA-N 2 2 251.374 0.524 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)[C@H](C[NH3+])C1 ZINC000403709885 357811475 /nfs/dbraw/zinc/81/14/75/357811475.db2.gz FNAUBDITQGHEQQ-FDYHWXHSSA-N 2 2 251.374 0.524 20 0 CCADLP C[N@H+]1CCN(C(=O)COCc2ccccc2)[C@@H](C[NH3+])C1 ZINC000404435677 357821180 /nfs/dbraw/zinc/82/11/80/357821180.db2.gz HRJXJPWQDFRMSZ-AWEZNQCLSA-N 2 2 277.368 0.305 20 0 CCADLP CNS(=O)(=O)CCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000408181260 357956755 /nfs/dbraw/zinc/95/67/55/357956755.db2.gz BUHIOXRLTKFVNN-UHFFFAOYSA-N 2 2 289.445 0.486 20 0 CCADLP CNS(=O)(=O)CCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000408181260 357956760 /nfs/dbraw/zinc/95/67/60/357956760.db2.gz BUHIOXRLTKFVNN-UHFFFAOYSA-N 2 2 289.445 0.486 20 0 CCADLP COc1cc[nH+]c(CN2CC[N@H+](CCO)C[C@@H]2C)c1 ZINC000452127325 236224054 /nfs/dbraw/zinc/22/40/54/236224054.db2.gz ZVBUKPPXLLLSQL-LBPRGKRZSA-N 2 2 265.357 0.589 20 0 CCADLP COc1cc[nH+]c(CN2CC[N@@H+](CCO)C[C@@H]2C)c1 ZINC000452127325 236224055 /nfs/dbraw/zinc/22/40/55/236224055.db2.gz ZVBUKPPXLLLSQL-LBPRGKRZSA-N 2 2 265.357 0.589 20 0 CCADLP Cc1cc(NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)cc[nH+]1 ZINC000455039548 236320515 /nfs/dbraw/zinc/32/05/15/236320515.db2.gz LZAWILDAFHMLRW-CQSZACIVSA-N 2 2 292.383 0.780 20 0 CCADLP Cc1cc(NC(=O)NC[C@H]2CCC[N@H+]2CCCO)cc[nH+]1 ZINC000455039548 236320517 /nfs/dbraw/zinc/32/05/17/236320517.db2.gz LZAWILDAFHMLRW-CQSZACIVSA-N 2 2 292.383 0.780 20 0 CCADLP C[N@H+](CCNC(=O)NC(C)(C)C[NH+]1CCOCC1)C1CC1 ZINC000413270644 358119865 /nfs/dbraw/zinc/11/98/65/358119865.db2.gz QVTYISWYSILGEN-UHFFFAOYSA-N 2 2 298.431 0.491 20 0 CCADLP C[N@@H+](CCNC(=O)NC(C)(C)C[NH+]1CCOCC1)C1CC1 ZINC000413270644 358119869 /nfs/dbraw/zinc/11/98/69/358119869.db2.gz QVTYISWYSILGEN-UHFFFAOYSA-N 2 2 298.431 0.491 20 0 CCADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420352039 358180018 /nfs/dbraw/zinc/18/00/18/358180018.db2.gz LPICFHKCTPYNBO-HUUCEWRRSA-N 2 2 293.411 0.848 20 0 CCADLP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420352039 358180021 /nfs/dbraw/zinc/18/00/21/358180021.db2.gz LPICFHKCTPYNBO-HUUCEWRRSA-N 2 2 293.411 0.848 20 0 CCADLP C[C@H](CN[C@H]1C[NH2+]CC[C@H]1C)C[NH+]1CCOCC1 ZINC000422764841 358192570 /nfs/dbraw/zinc/19/25/70/358192570.db2.gz OPJCPNJVGFNGCD-MCIONIFRSA-N 2 2 255.406 0.542 20 0 CCADLP C[C@H](CN[C@@H]1C[NH2+]CC[C@@H]1C)C[NH+]1CCOCC1 ZINC000422764840 358192743 /nfs/dbraw/zinc/19/27/43/358192743.db2.gz OPJCPNJVGFNGCD-HZSPNIEDSA-N 2 2 255.406 0.542 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cn1cc[nH+]c1 ZINC000562274596 291141301 /nfs/dbraw/zinc/14/13/01/291141301.db2.gz BIRFVFFWKDDVEG-NEPJUHHUSA-N 2 2 250.346 0.682 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)Cn1cc[nH+]c1 ZINC000562274596 291141304 /nfs/dbraw/zinc/14/13/04/291141304.db2.gz BIRFVFFWKDDVEG-NEPJUHHUSA-N 2 2 250.346 0.682 20 0 CCADLP C[N@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@@H]1COC[C@H]1O ZINC000463198951 358283358 /nfs/dbraw/zinc/28/33/58/358283358.db2.gz OJDFWDZMOUUVCJ-JJXSEGSLSA-N 2 2 291.395 0.766 20 0 CCADLP C[N@@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@@H]1COC[C@H]1O ZINC000463198951 358283363 /nfs/dbraw/zinc/28/33/63/358283363.db2.gz OJDFWDZMOUUVCJ-JJXSEGSLSA-N 2 2 291.395 0.766 20 0 CCADLP C[NH+](C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)[C@@H]1COC[C@H]1O ZINC000463198951 358283365 /nfs/dbraw/zinc/28/33/65/358283365.db2.gz OJDFWDZMOUUVCJ-JJXSEGSLSA-N 2 2 291.395 0.766 20 0 CCADLP C[NH+](C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)[C@@H]1COC[C@H]1O ZINC000463198951 358283368 /nfs/dbraw/zinc/28/33/68/358283368.db2.gz OJDFWDZMOUUVCJ-JJXSEGSLSA-N 2 2 291.395 0.766 20 0 CCADLP CCOC(=O)c1c[nH+]ccc1NCC[N@@H+]1CCO[C@H](C)C1 ZINC000530475034 358402396 /nfs/dbraw/zinc/40/23/96/358402396.db2.gz YGKFSAANQQBIDB-GFCCVEGCSA-N 2 2 293.367 0.813 20 0 CCADLP CCOC(=O)c1c[nH+]ccc1NCC[N@H+]1CCO[C@H](C)C1 ZINC000530475034 358402398 /nfs/dbraw/zinc/40/23/98/358402398.db2.gz YGKFSAANQQBIDB-GFCCVEGCSA-N 2 2 293.367 0.813 20 0 CCADLP O=C1CCCN1CCC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000531257167 358451082 /nfs/dbraw/zinc/45/10/82/358451082.db2.gz GSYRGDJMSPXZDP-UHFFFAOYSA-N 2 2 291.399 0.540 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(n2ccnc2)CC1 ZINC000562478637 291154799 /nfs/dbraw/zinc/15/47/99/291154799.db2.gz LSAFGMALCWUONG-HNNXBMFYSA-N 2 2 296.415 0.459 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(n2ccnc2)CC1 ZINC000562478637 291154800 /nfs/dbraw/zinc/15/48/00/291154800.db2.gz LSAFGMALCWUONG-HNNXBMFYSA-N 2 2 296.415 0.459 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000562478637 291154801 /nfs/dbraw/zinc/15/48/01/291154801.db2.gz LSAFGMALCWUONG-HNNXBMFYSA-N 3 2 296.415 0.459 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000562478637 291154803 /nfs/dbraw/zinc/15/48/03/291154803.db2.gz LSAFGMALCWUONG-HNNXBMFYSA-N 3 2 296.415 0.459 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1cnn2ccccc12)C1CC1 ZINC000567706877 358574495 /nfs/dbraw/zinc/57/44/95/358574495.db2.gz BJZGDNZNJVDHHJ-CQSZACIVSA-N 2 2 274.368 0.879 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1CC[NH+]1CCO[C@H](C)C1 ZINC000567724941 358577459 /nfs/dbraw/zinc/57/74/59/358577459.db2.gz GLUNECMZTKWXPG-KGLIPLIRSA-N 2 2 255.406 0.733 20 0 CCADLP CC[C@H]1C[NH+](C)CCN1CC[N@@H+]1CCO[C@H](C)C1 ZINC000567724941 358577461 /nfs/dbraw/zinc/57/74/61/358577461.db2.gz GLUNECMZTKWXPG-KGLIPLIRSA-N 2 2 255.406 0.733 20 0 CCADLP CC[C@H]1C[NH+](C)CCN1CC[N@H+]1CCO[C@H](C)C1 ZINC000567724941 358577463 /nfs/dbraw/zinc/57/74/63/358577463.db2.gz GLUNECMZTKWXPG-KGLIPLIRSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@H](O)C[C@H](C)C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000567875519 358603417 /nfs/dbraw/zinc/60/34/17/358603417.db2.gz GFEHANMHVPEZPL-LXFSFDBISA-N 2 2 288.432 0.453 20 0 CCADLP C[C@H](O)C[C@H](C)C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000567875519 358603418 /nfs/dbraw/zinc/60/34/18/358603418.db2.gz GFEHANMHVPEZPL-LXFSFDBISA-N 2 2 288.432 0.453 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(Cc2cscn2)CC1 ZINC000567904974 358611017 /nfs/dbraw/zinc/61/10/17/358611017.db2.gz VTFNDUUTKRVUCA-CYBMUJFWSA-N 2 2 284.429 0.231 20 0 CCADLP [NH3+][C@H]1C[C@@H](C(=O)NCc2ccc[nH+]c2N2CCOCC2)C1 ZINC000567971518 358619464 /nfs/dbraw/zinc/61/94/64/358619464.db2.gz IQBMJZYMQWBYPO-BETUJISGSA-N 2 2 290.367 0.272 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]2COCC[C@H]21 ZINC000568164920 358637996 /nfs/dbraw/zinc/63/79/96/358637996.db2.gz CYSOJUBUQBCSJI-SOUVJXGZSA-N 2 2 286.416 0.426 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]2COCC[C@H]21 ZINC000568164920 358637997 /nfs/dbraw/zinc/63/79/97/358637997.db2.gz CYSOJUBUQBCSJI-SOUVJXGZSA-N 2 2 286.416 0.426 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000568164920 358638000 /nfs/dbraw/zinc/63/80/00/358638000.db2.gz CYSOJUBUQBCSJI-SOUVJXGZSA-N 2 2 286.416 0.426 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000568164920 358638004 /nfs/dbraw/zinc/63/80/04/358638004.db2.gz CYSOJUBUQBCSJI-SOUVJXGZSA-N 2 2 286.416 0.426 20 0 CCADLP COc1nccc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)n1 ZINC000294943311 199262774 /nfs/dbraw/zinc/26/27/74/199262774.db2.gz LLNSULMZXXEGDX-UHFFFAOYSA-N 2 2 288.355 0.541 20 0 CCADLP COCC[N@@H+]1CC[C@H]([NH2+]CCC(=O)Nc2cc(C)on2)C1 ZINC000568382616 358668454 /nfs/dbraw/zinc/66/84/54/358668454.db2.gz DONCBZBKRVKWFU-LBPRGKRZSA-N 2 2 296.371 0.044 20 0 CCADLP COCC[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2cc(C)on2)C1 ZINC000568382616 358668458 /nfs/dbraw/zinc/66/84/58/358668458.db2.gz DONCBZBKRVKWFU-LBPRGKRZSA-N 2 2 296.371 0.044 20 0 CCADLP CO[C@@H]1CCC[C@@H]1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000568609763 358688241 /nfs/dbraw/zinc/68/82/41/358688241.db2.gz LRLDJCFNYQUONN-JHJVBQTASA-N 2 2 284.404 0.086 20 0 CCADLP CO[C@@H]1CCC[C@@H]1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000568609763 358688243 /nfs/dbraw/zinc/68/82/43/358688243.db2.gz LRLDJCFNYQUONN-JHJVBQTASA-N 2 2 284.404 0.086 20 0 CCADLP COc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c(F)c1 ZINC000568646749 358693806 /nfs/dbraw/zinc/69/38/06/358693806.db2.gz JDJITEHGHNTAMC-BXUZGUMPSA-N 2 2 293.342 0.578 20 0 CCADLP COCC(C)(C)[NH+]1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000569258277 358749523 /nfs/dbraw/zinc/74/95/23/358749523.db2.gz QOQNNVFUDLFRPU-UHFFFAOYSA-N 2 2 297.443 0.897 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCn2cc[nH+]c2)CC1(C)C ZINC000569290432 358750689 /nfs/dbraw/zinc/75/06/89/358750689.db2.gz SICKSAVKLQKIAP-UHFFFAOYSA-N 2 2 250.346 0.826 20 0 CCADLP C[N@H+]1CCN(C(=O)CCn2cc[nH+]c2)CC1(C)C ZINC000569290432 358750690 /nfs/dbraw/zinc/75/06/90/358750690.db2.gz SICKSAVKLQKIAP-UHFFFAOYSA-N 2 2 250.346 0.826 20 0 CCADLP CC(C)[NH2+]C1(CO)CCN(CCn2cc[nH+]c2)CC1 ZINC000569375075 358760208 /nfs/dbraw/zinc/76/02/08/358760208.db2.gz CCYGYXKKTYOZHD-UHFFFAOYSA-N 2 2 266.389 0.708 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](CCn2ccnc2)CC1 ZINC000569375075 358760217 /nfs/dbraw/zinc/76/02/17/358760217.db2.gz CCYGYXKKTYOZHD-UHFFFAOYSA-N 2 2 266.389 0.708 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000570104630 358824394 /nfs/dbraw/zinc/82/43/94/358824394.db2.gz MRPFUBSAIXNGBQ-DGCLKSJQSA-N 2 2 265.401 0.927 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000570104630 358824397 /nfs/dbraw/zinc/82/43/97/358824397.db2.gz MRPFUBSAIXNGBQ-DGCLKSJQSA-N 2 2 265.401 0.927 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)NCC2CC[NH2+]CC2)CCO1 ZINC000569695195 358785645 /nfs/dbraw/zinc/78/56/45/358785645.db2.gz LWRZESZFYDAXJH-UHFFFAOYSA-N 2 2 298.431 0.396 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)NCC2CC[NH2+]CC2)CCO1 ZINC000569695195 358785648 /nfs/dbraw/zinc/78/56/48/358785648.db2.gz LWRZESZFYDAXJH-UHFFFAOYSA-N 2 2 298.431 0.396 20 0 CCADLP CCn1cc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)CC)cn1 ZINC000569707151 358786658 /nfs/dbraw/zinc/78/66/58/358786658.db2.gz YUMPBQXUJWMHSV-DGCLKSJQSA-N 2 2 254.378 0.866 20 0 CCADLP CCn1cc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)CC)cn1 ZINC000569707151 358786660 /nfs/dbraw/zinc/78/66/60/358786660.db2.gz YUMPBQXUJWMHSV-DGCLKSJQSA-N 2 2 254.378 0.866 20 0 CCADLP COC(=O)CC1(C[N@H+]2CC[C@@H](OC)C[C@@H]2C[NH3+])CC1 ZINC000569810723 358795610 /nfs/dbraw/zinc/79/56/10/358795610.db2.gz AMZGIJOEKGRKHC-VXGBXAGGSA-N 2 2 270.373 0.768 20 0 CCADLP COC(=O)CC1(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C[NH3+])CC1 ZINC000569810723 358795616 /nfs/dbraw/zinc/79/56/16/358795616.db2.gz AMZGIJOEKGRKHC-VXGBXAGGSA-N 2 2 270.373 0.768 20 0 CCADLP C[C@H](CCO)C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000570570239 358870860 /nfs/dbraw/zinc/87/08/60/358870860.db2.gz MIVCMIVCVCTMOO-MQYQWHSLSA-N 2 2 274.405 0.065 20 0 CCADLP C[C@H](CCO)C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000570570239 358870861 /nfs/dbraw/zinc/87/08/61/358870861.db2.gz MIVCMIVCVCTMOO-MQYQWHSLSA-N 2 2 274.405 0.065 20 0 CCADLP COc1ccccc1[C@@H](CO)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000570320501 358844803 /nfs/dbraw/zinc/84/48/03/358844803.db2.gz OARFUIFIQCEVPP-DZGCQCFKSA-N 2 2 294.395 0.773 20 0 CCADLP COc1ccccc1[C@@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000570320501 358844805 /nfs/dbraw/zinc/84/48/05/358844805.db2.gz OARFUIFIQCEVPP-DZGCQCFKSA-N 2 2 294.395 0.773 20 0 CCADLP C[C@H](c1cnccn1)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000571166087 358917090 /nfs/dbraw/zinc/91/70/90/358917090.db2.gz RXMVYNJHIOXJAA-CHWSQXEVSA-N 2 2 289.383 0.434 20 0 CCADLP C[C@H](c1cnccn1)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000571166087 358917091 /nfs/dbraw/zinc/91/70/91/358917091.db2.gz RXMVYNJHIOXJAA-CHWSQXEVSA-N 2 2 289.383 0.434 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)[NH2+]C[C@H](C)S(C)(=O)=O ZINC000570632191 358876777 /nfs/dbraw/zinc/87/67/77/358876777.db2.gz FGDYHQJRHVLLOS-NWDGAFQWSA-N 2 2 280.434 0.102 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CCCCC[NH2+]2)CCO1 ZINC000570685551 358883475 /nfs/dbraw/zinc/88/34/75/358883475.db2.gz SGNHEQLIIVGBDU-CHWSQXEVSA-N 2 2 269.389 0.356 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CCCCC[NH2+]2)CCO1 ZINC000570685551 358883480 /nfs/dbraw/zinc/88/34/80/358883480.db2.gz SGNHEQLIIVGBDU-CHWSQXEVSA-N 2 2 269.389 0.356 20 0 CCADLP Cn1cc[nH+]c1[C@@H](NC[C@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000571040917 358906234 /nfs/dbraw/zinc/90/62/34/358906234.db2.gz UMXHQBSXAAJNCS-KBPBESRZSA-N 2 2 278.400 0.916 20 0 CCADLP Cn1cc[nH+]c1[C@@H](NC[C@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000571040917 358906238 /nfs/dbraw/zinc/90/62/38/358906238.db2.gz UMXHQBSXAAJNCS-KBPBESRZSA-N 2 2 278.400 0.916 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N=c1ccn(CC[NH+](C)C)[nH]1 ZINC000571175820 358919921 /nfs/dbraw/zinc/91/99/21/358919921.db2.gz JMRBRXPBMDJZCB-LLVKDONJSA-N 2 2 290.371 0.407 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N=c1ccn(CC[NH+](C)C)[nH]1 ZINC000571175820 358919924 /nfs/dbraw/zinc/91/99/24/358919924.db2.gz JMRBRXPBMDJZCB-LLVKDONJSA-N 2 2 290.371 0.407 20 0 CCADLP Cc1cc(C)nc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000562761152 291166777 /nfs/dbraw/zinc/16/67/77/291166777.db2.gz SLGOUMKWAFAMJD-LBPRGKRZSA-N 2 2 277.372 0.805 20 0 CCADLP Cc1cc(C)nc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000562761152 291166778 /nfs/dbraw/zinc/16/67/78/291166778.db2.gz SLGOUMKWAFAMJD-LBPRGKRZSA-N 2 2 277.372 0.805 20 0 CCADLP CC(C)C[C@H](C)OCCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000573245913 358951499 /nfs/dbraw/zinc/95/14/99/358951499.db2.gz CKYAQUTUXBUOID-UONOGXRCSA-N 2 2 285.432 0.929 20 0 CCADLP CC(C)C[C@H](C)OCCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000573245913 358951503 /nfs/dbraw/zinc/95/15/03/358951503.db2.gz CKYAQUTUXBUOID-UONOGXRCSA-N 2 2 285.432 0.929 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000573263139 358952467 /nfs/dbraw/zinc/95/24/67/358952467.db2.gz FBGCVOSWMPEUJQ-DGAVXFQQSA-N 2 2 274.405 0.423 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000573263139 358952473 /nfs/dbraw/zinc/95/24/73/358952473.db2.gz FBGCVOSWMPEUJQ-DGAVXFQQSA-N 2 2 274.405 0.423 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000573263139 358952478 /nfs/dbraw/zinc/95/24/78/358952478.db2.gz FBGCVOSWMPEUJQ-DGAVXFQQSA-N 2 2 274.405 0.423 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000573322114 358956286 /nfs/dbraw/zinc/95/62/86/358956286.db2.gz OLPCWCIDPBPQHV-NWANDNLSSA-N 2 2 295.427 0.887 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCOC[C@H]1C1CCC1 ZINC000574050900 359024227 /nfs/dbraw/zinc/02/42/27/359024227.db2.gz MSQKYIINBBPZKP-CABCVRRESA-N 2 2 286.416 0.426 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCOC[C@H]1C1CCC1 ZINC000574050900 359024232 /nfs/dbraw/zinc/02/42/32/359024232.db2.gz MSQKYIINBBPZKP-CABCVRRESA-N 2 2 286.416 0.426 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000574050900 359024238 /nfs/dbraw/zinc/02/42/38/359024238.db2.gz MSQKYIINBBPZKP-CABCVRRESA-N 2 2 286.416 0.426 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000574050900 359024243 /nfs/dbraw/zinc/02/42/43/359024243.db2.gz MSQKYIINBBPZKP-CABCVRRESA-N 2 2 286.416 0.426 20 0 CCADLP Cc1cc(CNC(=O)C[C@H]2COCC[NH2+]2)cc(C)[nH+]1 ZINC000573712695 358992742 /nfs/dbraw/zinc/99/27/42/358992742.db2.gz GXQXHZQDXDSENU-ZDUSSCGKSA-N 2 2 263.341 0.693 20 0 CCADLP C[C@@H]1C[C@H](CCNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CCO1 ZINC000573905213 359009777 /nfs/dbraw/zinc/00/97/77/359009777.db2.gz DSDOKKXQCGMYOE-MGPQQGTHSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H]1C[C@H](CCNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CCO1 ZINC000573905213 359009780 /nfs/dbraw/zinc/00/97/80/359009780.db2.gz DSDOKKXQCGMYOE-MGPQQGTHSA-N 2 2 298.431 0.476 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](CC(N)=O)c1ccccc1 ZINC000579974317 359071828 /nfs/dbraw/zinc/07/18/28/359071828.db2.gz BWTOSIOFUIRLNF-GJZGRUSLSA-N 2 2 293.411 0.848 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](CC(N)=O)c1ccccc1 ZINC000579974317 359071832 /nfs/dbraw/zinc/07/18/32/359071832.db2.gz BWTOSIOFUIRLNF-GJZGRUSLSA-N 2 2 293.411 0.848 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](CC(N)=O)c1ccccc1 ZINC000579974317 359071836 /nfs/dbraw/zinc/07/18/36/359071836.db2.gz BWTOSIOFUIRLNF-GJZGRUSLSA-N 2 2 293.411 0.848 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](CC(N)=O)c1ccccc1 ZINC000579974317 359071837 /nfs/dbraw/zinc/07/18/37/359071837.db2.gz BWTOSIOFUIRLNF-GJZGRUSLSA-N 2 2 293.411 0.848 20 0 CCADLP C[C@H]1C[C@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CO1 ZINC000580193593 359080902 /nfs/dbraw/zinc/08/09/02/359080902.db2.gz KJUYORHYYQAIQK-HOCLYGCPSA-N 2 2 297.443 0.550 20 0 CCADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CO1 ZINC000580193593 359080904 /nfs/dbraw/zinc/08/09/04/359080904.db2.gz KJUYORHYYQAIQK-HOCLYGCPSA-N 2 2 297.443 0.550 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000580722548 359087098 /nfs/dbraw/zinc/08/70/98/359087098.db2.gz AMZQMKZVLCPNRB-SMDDNHRTSA-N 2 2 285.363 0.810 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000580722548 359087103 /nfs/dbraw/zinc/08/71/03/359087103.db2.gz AMZQMKZVLCPNRB-SMDDNHRTSA-N 2 2 285.363 0.810 20 0 CCADLP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000580768901 359091838 /nfs/dbraw/zinc/09/18/38/359091838.db2.gz BWSOBZFAVNPJFW-DZGCQCFKSA-N 3 2 269.433 0.763 20 0 CCADLP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000580768901 359091840 /nfs/dbraw/zinc/09/18/40/359091840.db2.gz BWSOBZFAVNPJFW-DZGCQCFKSA-N 3 2 269.433 0.763 20 0 CCADLP CCC[NH+]1CC[C@@H](C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000580768901 359091845 /nfs/dbraw/zinc/09/18/45/359091845.db2.gz BWSOBZFAVNPJFW-DZGCQCFKSA-N 3 2 269.433 0.763 20 0 CCADLP CCC[NH+]1CC[C@@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000580768901 359091847 /nfs/dbraw/zinc/09/18/47/359091847.db2.gz BWSOBZFAVNPJFW-DZGCQCFKSA-N 3 2 269.433 0.763 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1C[NH+](CC)CCO1 ZINC000580944329 359111800 /nfs/dbraw/zinc/11/18/00/359111800.db2.gz BWFKUHFNQGAHAO-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1C[NH+](CC)CCO1 ZINC000580944329 359111804 /nfs/dbraw/zinc/11/18/04/359111804.db2.gz BWFKUHFNQGAHAO-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@H]1C[NH+](C)CCN1C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000580944329 359111811 /nfs/dbraw/zinc/11/18/11/359111811.db2.gz BWFKUHFNQGAHAO-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@H]1C[NH+](C)CCN1C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000580944329 359111815 /nfs/dbraw/zinc/11/18/15/359111815.db2.gz BWFKUHFNQGAHAO-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH2+]CCCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000581000358 359117921 /nfs/dbraw/zinc/11/79/21/359117921.db2.gz XULUPUBERPCYRI-NSHDSACASA-N 2 2 253.350 0.570 20 0 CCADLP C[C@H](CC(=O)NC[C@H]1CCC[N@@H+]1CCCO)n1cc[nH+]c1 ZINC000582306725 359133015 /nfs/dbraw/zinc/13/30/15/359133015.db2.gz BLYBLMXKEGNQEV-ZIAGYGMSSA-N 2 2 294.399 0.797 20 0 CCADLP C[C@H](CC(=O)NC[C@H]1CCC[N@H+]1CCCO)n1cc[nH+]c1 ZINC000582306725 359133022 /nfs/dbraw/zinc/13/30/22/359133022.db2.gz BLYBLMXKEGNQEV-ZIAGYGMSSA-N 2 2 294.399 0.797 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000562962826 291175387 /nfs/dbraw/zinc/17/53/87/291175387.db2.gz MXZWUDFSMXZNKN-XBFCOCLRSA-N 3 2 255.406 0.861 20 0 CCADLP C[N@H+](CCn1cc[nH+]c1)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000296841350 200012697 /nfs/dbraw/zinc/01/26/97/200012697.db2.gz SSXJDSOJSZPSSZ-LBPRGKRZSA-N 2 2 298.387 0.701 20 0 CCADLP C[N@@H+](CCn1cc[nH+]c1)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000296841350 200012698 /nfs/dbraw/zinc/01/26/98/200012698.db2.gz SSXJDSOJSZPSSZ-LBPRGKRZSA-N 2 2 298.387 0.701 20 0 CCADLP C[C@@H](CNC(=O)CCCn1cc[nH+]c1)N1CC[NH+](C)CC1 ZINC000591642824 359624860 /nfs/dbraw/zinc/62/48/60/359624860.db2.gz SDNNHORLQWHDPU-AWEZNQCLSA-N 2 2 293.415 0.415 20 0 CCADLP O=C1CNC(=O)N1CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591866541 359666546 /nfs/dbraw/zinc/66/65/46/359666546.db2.gz BSACNBSYRYJJTM-LLVKDONJSA-N 2 2 277.328 0.072 20 0 CCADLP O=C1CNC(=O)N1CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591866541 359666550 /nfs/dbraw/zinc/66/65/50/359666550.db2.gz BSACNBSYRYJJTM-LLVKDONJSA-N 2 2 277.328 0.072 20 0 CCADLP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)Nc1ccon1 ZINC000591868383 359668152 /nfs/dbraw/zinc/66/81/52/359668152.db2.gz YQZQEMGGOSVTDH-NSHDSACASA-N 2 2 275.312 0.569 20 0 CCADLP C[C@@H](CNC(=O)C=Cc1c[nH]c[nH+]1)C[NH+]1CCN(C)CC1 ZINC000492862379 237323864 /nfs/dbraw/zinc/32/38/64/237323864.db2.gz KQKAMMJVWBYNPN-SCOBNMCVSA-N 2 2 291.399 0.423 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000492870640 237326316 /nfs/dbraw/zinc/32/63/16/237326316.db2.gz WKIAEQQJOQHJRV-GEXIGZQTSA-N 2 2 292.383 0.776 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000492870640 237326325 /nfs/dbraw/zinc/32/63/25/237326325.db2.gz WKIAEQQJOQHJRV-GEXIGZQTSA-N 2 2 292.383 0.776 20 0 CCADLP COc1ccc2oc(N3CC[N@H+](C)C[C@H]3C[NH3+])nc2c1 ZINC000563143178 291198667 /nfs/dbraw/zinc/19/86/67/291198667.db2.gz PAHALSCJXZKYPX-SNVBAGLBSA-N 2 2 276.340 0.916 20 0 CCADLP COc1ccc2oc(N3CC[N@@H+](C)C[C@H]3C[NH3+])nc2c1 ZINC000563143178 291198668 /nfs/dbraw/zinc/19/86/68/291198668.db2.gz PAHALSCJXZKYPX-SNVBAGLBSA-N 2 2 276.340 0.916 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)c2ccc(C[NH3+])cc2)CCO1 ZINC000563198389 291204279 /nfs/dbraw/zinc/20/42/79/291204279.db2.gz VSNWVRLAKKIYIR-GFCCVEGCSA-N 2 2 277.368 0.596 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(C[NH3+])cc2)CCO1 ZINC000563198389 291204281 /nfs/dbraw/zinc/20/42/81/291204281.db2.gz VSNWVRLAKKIYIR-GFCCVEGCSA-N 2 2 277.368 0.596 20 0 CCADLP [NH3+]C[C@@H](NC(=O)N1CCn2cc[nH+]c2C1)C(F)(F)F ZINC000655918065 412693787 /nfs/dbraw/zinc/69/37/87/412693787.db2.gz DQAQAWOUYYYTPV-SSDOTTSWSA-N 2 2 277.250 0.298 20 0 CCADLP CCOC(=O)CCCC[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000592475449 359850538 /nfs/dbraw/zinc/85/05/38/359850538.db2.gz KGFLXYNIXSQQMI-NWDGAFQWSA-N 2 2 258.362 0.768 20 0 CCADLP CCOC(=O)CCCC[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000592475449 359850545 /nfs/dbraw/zinc/85/05/45/359850545.db2.gz KGFLXYNIXSQQMI-NWDGAFQWSA-N 2 2 258.362 0.768 20 0 CCADLP COC(=O)C(C)(C)CC[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000592428575 359836272 /nfs/dbraw/zinc/83/62/72/359836272.db2.gz BDGSPIMTDWZFTM-WDEREUQCSA-N 2 2 258.362 0.624 20 0 CCADLP COC(=O)C(C)(C)CC[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000592428575 359836274 /nfs/dbraw/zinc/83/62/74/359836274.db2.gz BDGSPIMTDWZFTM-WDEREUQCSA-N 2 2 258.362 0.624 20 0 CCADLP CCn1ccnc1[C@H](C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000297719326 200267787 /nfs/dbraw/zinc/26/77/87/200267787.db2.gz NDPMWMBWWZVQOP-ZDUSSCGKSA-N 2 2 293.415 0.718 20 0 CCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CCCn1cc[nH+]c1 ZINC000592789091 359936220 /nfs/dbraw/zinc/93/62/20/359936220.db2.gz PHCWMGOBDXWSMR-AWEZNQCLSA-N 2 2 293.415 0.415 20 0 CCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)CCCn1cc[nH+]c1 ZINC000592789091 359936222 /nfs/dbraw/zinc/93/62/22/359936222.db2.gz PHCWMGOBDXWSMR-AWEZNQCLSA-N 2 2 293.415 0.415 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2nccn2C)C1 ZINC000563350088 291215321 /nfs/dbraw/zinc/21/53/21/291215321.db2.gz KUGXVGQRNWGELS-OLZOCXBDSA-N 2 2 266.389 0.522 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2nccn2C)C1 ZINC000563350088 291215322 /nfs/dbraw/zinc/21/53/22/291215322.db2.gz KUGXVGQRNWGELS-OLZOCXBDSA-N 2 2 266.389 0.522 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000563350088 291215323 /nfs/dbraw/zinc/21/53/23/291215323.db2.gz KUGXVGQRNWGELS-OLZOCXBDSA-N 2 2 266.389 0.522 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000563350088 291215325 /nfs/dbraw/zinc/21/53/25/291215325.db2.gz KUGXVGQRNWGELS-OLZOCXBDSA-N 2 2 266.389 0.522 20 0 CCADLP Cc1[nH+]ccn1CCCCN1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000563363275 291217333 /nfs/dbraw/zinc/21/73/33/291217333.db2.gz GRCYQZYVYNKCST-KBPBESRZSA-N 2 2 266.389 0.578 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCc2cc[nH]c(=O)c2C1 ZINC000563356398 291216635 /nfs/dbraw/zinc/21/66/35/291216635.db2.gz RZSWCFGHFCUNHU-LBPRGKRZSA-N 2 2 265.357 0.458 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCc2cc[nH]c(=O)c2C1 ZINC000563356398 291216637 /nfs/dbraw/zinc/21/66/37/291216637.db2.gz RZSWCFGHFCUNHU-LBPRGKRZSA-N 2 2 265.357 0.458 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000563356398 291216638 /nfs/dbraw/zinc/21/66/38/291216638.db2.gz RZSWCFGHFCUNHU-LBPRGKRZSA-N 2 2 265.357 0.458 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000563356398 291216639 /nfs/dbraw/zinc/21/66/39/291216639.db2.gz RZSWCFGHFCUNHU-LBPRGKRZSA-N 2 2 265.357 0.458 20 0 CCADLP COC(=O)[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1cccs1 ZINC000593902394 360201571 /nfs/dbraw/zinc/20/15/71/360201571.db2.gz SGMFREKUUUTEIY-MWLCHTKSSA-N 2 2 299.396 0.357 20 0 CCADLP CCOC[C@@H](C(=O)OC)[N@H+](C)CCCc1c[nH+]cn1C ZINC000593967501 360223647 /nfs/dbraw/zinc/22/36/47/360223647.db2.gz VNNVBTJKTDEUMT-ZDUSSCGKSA-N 2 2 283.372 0.863 20 0 CCADLP CCOC[C@@H](C(=O)OC)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000593967501 360223652 /nfs/dbraw/zinc/22/36/52/360223652.db2.gz VNNVBTJKTDEUMT-ZDUSSCGKSA-N 2 2 283.372 0.863 20 0 CCADLP COC(=O)C[N@H+]1CCC[C@H](CNc2nc(C)ncc2C)C1 ZINC000594580127 360333972 /nfs/dbraw/zinc/33/39/72/360333972.db2.gz ZIGQJPHONMOATN-CYBMUJFWSA-N 2 2 292.383 0.812 20 0 CCADLP COC(=O)C[N@@H+]1CCC[C@H](CNc2nc(C)[nH+]cc2C)C1 ZINC000594580127 360333978 /nfs/dbraw/zinc/33/39/78/360333978.db2.gz ZIGQJPHONMOATN-CYBMUJFWSA-N 2 2 292.383 0.812 20 0 CCADLP COC(=O)C[N@H+]1CCC[C@H](CNc2nc(C)[nH+]cc2C)C1 ZINC000594580127 360333984 /nfs/dbraw/zinc/33/39/84/360333984.db2.gz ZIGQJPHONMOATN-CYBMUJFWSA-N 2 2 292.383 0.812 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@H+]1CC=CCC1 ZINC000563394046 291222541 /nfs/dbraw/zinc/22/25/41/291222541.db2.gz ZUCYMEAEYHKBBV-LBPRGKRZSA-N 2 2 262.357 0.966 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@@H+]1CC=CCC1 ZINC000563394046 291222542 /nfs/dbraw/zinc/22/25/42/291222542.db2.gz ZUCYMEAEYHKBBV-LBPRGKRZSA-N 2 2 262.357 0.966 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@H+]1CC=CCC1 ZINC000563394046 291222545 /nfs/dbraw/zinc/22/25/45/291222545.db2.gz ZUCYMEAEYHKBBV-LBPRGKRZSA-N 2 2 262.357 0.966 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@@H+]1CC=CCC1 ZINC000563394046 291222546 /nfs/dbraw/zinc/22/25/46/291222546.db2.gz ZUCYMEAEYHKBBV-LBPRGKRZSA-N 2 2 262.357 0.966 20 0 CCADLP CC[NH+]1CCC([NH2+][C@@H]2CCN(CCC(=O)OC)C2=O)CC1 ZINC000594731804 360369533 /nfs/dbraw/zinc/36/95/33/360369533.db2.gz UJZZIBQYXWUIBU-CYBMUJFWSA-N 2 2 297.399 0.224 20 0 CCADLP c1cc2n(n1)C[C@H](C[NH2+][C@H]1CC[N@H+](CC3CC3)C1)CN2 ZINC000595143321 360443248 /nfs/dbraw/zinc/44/32/48/360443248.db2.gz ANTPDWMNDRCGMU-KGLIPLIRSA-N 2 2 275.400 0.999 20 0 CCADLP c1cc2n(n1)C[C@H](C[NH2+][C@H]1CC[N@@H+](CC3CC3)C1)CN2 ZINC000595143321 360443250 /nfs/dbraw/zinc/44/32/50/360443250.db2.gz ANTPDWMNDRCGMU-KGLIPLIRSA-N 2 2 275.400 0.999 20 0 CCADLP CC(C)n1cc[nH+]c1CN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000594874954 360405021 /nfs/dbraw/zinc/40/50/21/360405021.db2.gz AMHAFQATCDRXDY-NWDGAFQWSA-N 2 2 277.372 0.208 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)[C@@H](C)O1 ZINC000563419683 291227081 /nfs/dbraw/zinc/22/70/81/291227081.db2.gz XTSNUHMUVSODBF-XRHZXQNYSA-N 2 2 292.383 0.895 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595505448 360554471 /nfs/dbraw/zinc/55/44/71/360554471.db2.gz UHRSMXHUABWQBK-SWLSCSKDSA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595505448 360554474 /nfs/dbraw/zinc/55/44/74/360554474.db2.gz UHRSMXHUABWQBK-SWLSCSKDSA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595505448 360554479 /nfs/dbraw/zinc/55/44/79/360554479.db2.gz UHRSMXHUABWQBK-SWLSCSKDSA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595505448 360554484 /nfs/dbraw/zinc/55/44/84/360554484.db2.gz UHRSMXHUABWQBK-SWLSCSKDSA-N 2 2 297.399 0.082 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+]C1CC1 ZINC000563452093 291231462 /nfs/dbraw/zinc/23/14/62/291231462.db2.gz RKWMBWANDHFIRR-UHFFFAOYSA-N 2 2 251.334 0.693 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+]C1CC1 ZINC000563452093 291231463 /nfs/dbraw/zinc/23/14/63/291231463.db2.gz RKWMBWANDHFIRR-UHFFFAOYSA-N 2 2 251.334 0.693 20 0 CCADLP C[N@H+](CCNC(=O)Cn1cc[nH+]c1)C1CCCC1 ZINC000563490620 291232794 /nfs/dbraw/zinc/23/27/94/291232794.db2.gz SRWPSDBPAGQQKA-UHFFFAOYSA-N 2 2 250.346 0.874 20 0 CCADLP C[N@@H+](CCNC(=O)Cn1cc[nH+]c1)C1CCCC1 ZINC000563490620 291232797 /nfs/dbraw/zinc/23/27/97/291232797.db2.gz SRWPSDBPAGQQKA-UHFFFAOYSA-N 2 2 250.346 0.874 20 0 CCADLP COCC[N@H+](CC(=O)OC)Cc1cccc2c1CC[NH2+]C2 ZINC000595893647 360693596 /nfs/dbraw/zinc/69/35/96/360693596.db2.gz TXPNBLDSCCSOQU-UHFFFAOYSA-N 2 2 292.379 0.954 20 0 CCADLP COCC[N@@H+](CC(=O)OC)Cc1cccc2c1CC[NH2+]C2 ZINC000595893647 360693600 /nfs/dbraw/zinc/69/36/00/360693600.db2.gz TXPNBLDSCCSOQU-UHFFFAOYSA-N 2 2 292.379 0.954 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+]C[C@H](C)[N@H+](C)C2CC2)no1 ZINC000563528756 291235005 /nfs/dbraw/zinc/23/50/05/291235005.db2.gz DYLIAPKZMSZRHV-JTQLQIEISA-N 2 2 280.372 0.806 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+]C[C@H](C)[N@@H+](C)C2CC2)no1 ZINC000563528756 291235006 /nfs/dbraw/zinc/23/50/06/291235006.db2.gz DYLIAPKZMSZRHV-JTQLQIEISA-N 2 2 280.372 0.806 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000595927012 360707774 /nfs/dbraw/zinc/70/77/74/360707774.db2.gz NAPWFQMNOZOJKJ-NEPJUHHUSA-N 2 2 285.388 0.080 20 0 CCADLP Cn1cnc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000179035082 189163644 /nfs/dbraw/zinc/16/36/44/189163644.db2.gz KYTMXSQHLKSLHF-UHFFFAOYSA-N 2 2 279.388 0.176 20 0 CCADLP CC(C)(C)n1nnc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)n1 ZINC000655938720 412708566 /nfs/dbraw/zinc/70/85/66/412708566.db2.gz CYPDLKPLHAZINO-LLVKDONJSA-N 2 2 266.393 0.989 20 0 CCADLP CC(C)(C)n1nnc(C[N@H+]2CCC[C@H](CC[NH3+])C2)n1 ZINC000655938720 412708570 /nfs/dbraw/zinc/70/85/70/412708570.db2.gz CYPDLKPLHAZINO-LLVKDONJSA-N 2 2 266.393 0.989 20 0 CCADLP Cc1cc(NC[C@@H]2C[NH2+]CCN2C)nc(C2CC2)[nH+]1 ZINC000563663684 291245992 /nfs/dbraw/zinc/24/59/92/291245992.db2.gz GBYWAORBXYTNNZ-LBPRGKRZSA-N 2 2 261.373 0.400 20 0 CCADLP CN(C(=O)/C=C/c1[nH]cc[nH+]1)[C@@H]1C[NH+]2CCC1CC2 ZINC000493799143 238392602 /nfs/dbraw/zinc/39/26/02/238392602.db2.gz ZQBHNPGHEJWKPT-QAVQXKDTSA-N 2 2 260.341 0.976 20 0 CCADLP CC[S@](=O)CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000598748062 361508009 /nfs/dbraw/zinc/50/80/09/361508009.db2.gz GAANVIJWNPHCBR-BUXKBTBVSA-N 2 2 291.461 0.143 20 0 CCADLP CC[S@](=O)CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000598748062 361508014 /nfs/dbraw/zinc/50/80/14/361508014.db2.gz GAANVIJWNPHCBR-BUXKBTBVSA-N 2 2 291.461 0.143 20 0 CCADLP C[C@H]1[C@@H](C)[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000419394070 291276239 /nfs/dbraw/zinc/27/62/39/291276239.db2.gz OKHIUHVPAGUTPW-JHJVBQTASA-N 2 2 253.390 0.737 20 0 CCADLP C[C@H]1[C@@H](C)[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000419394070 291276242 /nfs/dbraw/zinc/27/62/42/291276242.db2.gz OKHIUHVPAGUTPW-JHJVBQTASA-N 2 2 253.390 0.737 20 0 CCADLP CCS(=O)(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000564390768 291278039 /nfs/dbraw/zinc/27/80/39/291278039.db2.gz XNBCONDQDUCDJG-UHFFFAOYSA-N 2 2 284.385 0.595 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000599305153 361643509 /nfs/dbraw/zinc/64/35/09/361643509.db2.gz URGIMISTUCWWEH-CABCVRRESA-N 2 2 298.427 0.964 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000599305153 361643511 /nfs/dbraw/zinc/64/35/11/361643511.db2.gz URGIMISTUCWWEH-CABCVRRESA-N 2 2 298.427 0.964 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000599305153 361643514 /nfs/dbraw/zinc/64/35/14/361643514.db2.gz URGIMISTUCWWEH-CABCVRRESA-N 2 2 298.427 0.964 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000599305153 361643516 /nfs/dbraw/zinc/64/35/16/361643516.db2.gz URGIMISTUCWWEH-CABCVRRESA-N 2 2 298.427 0.964 20 0 CCADLP CCOC(=O)CC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000599474782 361713714 /nfs/dbraw/zinc/71/37/14/361713714.db2.gz VLMHMKVULYOZCI-UHFFFAOYSA-N 2 2 270.373 0.736 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCCF)CC1 ZINC000611972704 363820064 /nfs/dbraw/zinc/82/00/64/363820064.db2.gz AHKOMFGXMDQIKW-UHFFFAOYSA-N 2 2 259.369 0.878 20 0 CCADLP COCCOC[C@H](O)C[NH2+]Cc1ccn2cc[nH+]c2c1 ZINC000564723842 291295293 /nfs/dbraw/zinc/29/52/93/291295293.db2.gz SSNJCTJMYQENLD-CYBMUJFWSA-N 2 2 279.340 0.448 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612964453 364056383 /nfs/dbraw/zinc/05/63/83/364056383.db2.gz RLOLDUBYGLIZHQ-QWHCGFSZSA-N 2 2 296.415 0.148 20 0 CCADLP C[C@@H]1C[N@@H+]([C@@H](C(N)=O)c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000631840933 370706239 /nfs/dbraw/zinc/70/62/39/370706239.db2.gz WMYAGNNMMOOTEF-IRUJWGPZSA-N 2 2 265.332 0.879 20 0 CCADLP C[C@@H]1C[N@H+]([C@@H](C(N)=O)c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000631840933 370706242 /nfs/dbraw/zinc/70/62/42/370706242.db2.gz WMYAGNNMMOOTEF-IRUJWGPZSA-N 2 2 265.332 0.879 20 0 CCADLP C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837315 370701995 /nfs/dbraw/zinc/70/19/95/370701995.db2.gz AJNQIFBSCJHRGC-HRDYMLBCSA-N 2 2 267.295 0.580 20 0 CCADLP C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837315 370701998 /nfs/dbraw/zinc/70/19/98/370701998.db2.gz AJNQIFBSCJHRGC-HRDYMLBCSA-N 2 2 267.295 0.580 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)N(C)CC(F)(F)F)C[C@H]1C[NH3+] ZINC000631841490 370708880 /nfs/dbraw/zinc/70/88/80/370708880.db2.gz LERGPRVCYDYREK-RKDXNWHRSA-N 2 2 267.295 0.534 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)CC(F)(F)F)C[C@H]1C[NH3+] ZINC000631841490 370708885 /nfs/dbraw/zinc/70/88/85/370708885.db2.gz LERGPRVCYDYREK-RKDXNWHRSA-N 2 2 267.295 0.534 20 0 CCADLP CC(C)(C)n1nnc(CC[NH+]2CCC([NH2+]CCO)CC2)n1 ZINC000631861952 370722560 /nfs/dbraw/zinc/72/25/60/370722560.db2.gz JZOCQQYXZJODSY-UHFFFAOYSA-N 2 2 296.419 0.017 20 0 CCADLP OCC[NH2+]C1CC[NH+](CCOCC(F)(F)F)CC1 ZINC000631863915 370725168 /nfs/dbraw/zinc/72/51/68/370725168.db2.gz FWPQTENKVBGCJK-UHFFFAOYSA-N 2 2 270.295 0.612 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000631866156 370726476 /nfs/dbraw/zinc/72/64/76/370726476.db2.gz URHCAPCBHWPJIG-KOLCDFICSA-N 2 2 252.305 0.313 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000631866156 370726479 /nfs/dbraw/zinc/72/64/79/370726479.db2.gz URHCAPCBHWPJIG-KOLCDFICSA-N 2 2 252.305 0.313 20 0 CCADLP CC(C)(C)CNC(=O)C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631867059 370727185 /nfs/dbraw/zinc/72/71/85/370727185.db2.gz IDWVMBINRTXYRN-RISCZKNCSA-N 2 2 253.390 0.880 20 0 CCADLP CC1(C)NC(=O)N(CC[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)C1=O ZINC000631868505 370728490 /nfs/dbraw/zinc/72/84/90/370728490.db2.gz IQAMDEHCCLHMGR-YGRLFVJLSA-N 2 2 280.372 0.049 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631890629 370740213 /nfs/dbraw/zinc/74/02/13/370740213.db2.gz UGBCWBRZYVKLKO-STQMWFEESA-N 2 2 269.389 0.213 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631890629 370740215 /nfs/dbraw/zinc/74/02/15/370740215.db2.gz UGBCWBRZYVKLKO-STQMWFEESA-N 2 2 269.389 0.213 20 0 CCADLP C[C@@H]1[C@H](C)[NH2+]CCN1S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631934605 370768274 /nfs/dbraw/zinc/76/82/74/370768274.db2.gz FTVOFYLXZOIEMY-WDEREUQCSA-N 2 2 275.418 0.093 20 0 CCADLP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1ccc(-n3cc[nH+]c3)nn1)C2 ZINC000621693534 366839577 /nfs/dbraw/zinc/83/95/77/366839577.db2.gz XMPDGQHCOULTQL-IAQYHMDHSA-N 2 2 298.350 0.616 20 0 CCADLP CC1(C)NC(=O)N(CCC[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)C1=O ZINC000621779146 366864941 /nfs/dbraw/zinc/86/49/41/366864941.db2.gz AOFSDUXVYGDGDA-XHDPSFHLSA-N 2 2 294.399 0.520 20 0 CCADLP CC1(C)NC(=O)N(CCC[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)C1=O ZINC000621779146 366864946 /nfs/dbraw/zinc/86/49/46/366864946.db2.gz AOFSDUXVYGDGDA-XHDPSFHLSA-N 2 2 294.399 0.520 20 0 CCADLP COC[C@@H]([NH3+])C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000564939569 291321104 /nfs/dbraw/zinc/32/11/04/291321104.db2.gz DPTGSLWGXIIJIQ-GFCCVEGCSA-N 2 2 274.324 0.667 20 0 CCADLP C[C@@H](C[NH3+])C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000564937138 291320606 /nfs/dbraw/zinc/32/06/06/291320606.db2.gz KPPBSIWAJBXWPO-DRZSPHRISA-N 2 2 297.378 0.044 20 0 CCADLP C[C@@H](C[NH3+])C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000564937138 291320607 /nfs/dbraw/zinc/32/06/07/291320607.db2.gz KPPBSIWAJBXWPO-DRZSPHRISA-N 2 2 297.378 0.044 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C1([NH+](C)C)CC1 ZINC000614718194 364709210 /nfs/dbraw/zinc/70/92/10/364709210.db2.gz QLIOPZYJGZYBKO-CHWSQXEVSA-N 2 2 281.400 0.402 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)C[NH+](C)C ZINC000615174579 364867654 /nfs/dbraw/zinc/86/76/54/364867654.db2.gz CEWAEFKQGKZJCL-QWRGUYRKSA-N 2 2 264.373 0.829 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)C[NH+](C)C ZINC000615174579 364867656 /nfs/dbraw/zinc/86/76/56/364867656.db2.gz CEWAEFKQGKZJCL-QWRGUYRKSA-N 2 2 264.373 0.829 20 0 CCADLP Nc1ccc(NC(=O)C2(n3cccn3)CC[NH2+]CC2)c[nH+]1 ZINC000564980858 291330128 /nfs/dbraw/zinc/33/01/28/291330128.db2.gz FQLPBMAUAKDLLP-UHFFFAOYSA-N 2 2 286.339 0.408 20 0 CCADLP C[NH+](C)CC1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000615503353 364986045 /nfs/dbraw/zinc/98/60/45/364986045.db2.gz VFEYCVUGTAJAPT-UHFFFAOYSA-N 2 2 276.384 0.782 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615558319 365006675 /nfs/dbraw/zinc/00/66/75/365006675.db2.gz MYBDQRXZBFMUSC-AWEZNQCLSA-N 2 2 292.383 0.515 20 0 CCADLP O=C(NCc1cn2ccccc2[nH+]1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000275488279 193056751 /nfs/dbraw/zinc/05/67/51/193056751.db2.gz AIPKAXAMOLBPFB-GXSJLCMTSA-N 2 2 262.288 0.651 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH2+]C(C)(C)C(=O)NCC(C)(C)C ZINC000565159599 291349581 /nfs/dbraw/zinc/34/95/81/291349581.db2.gz ZULDDRADWDDOCP-LBPRGKRZSA-N 2 2 287.448 0.830 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+]C(C)(C)C(=O)NCC(C)(C)C ZINC000565159599 291349582 /nfs/dbraw/zinc/34/95/82/291349582.db2.gz ZULDDRADWDDOCP-LBPRGKRZSA-N 2 2 287.448 0.830 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)CC1 ZINC000565155328 291348468 /nfs/dbraw/zinc/34/84/68/291348468.db2.gz DOBWVHWXXAKXED-KGLIPLIRSA-N 3 2 296.459 0.787 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)CC1 ZINC000565155328 291348469 /nfs/dbraw/zinc/34/84/69/291348469.db2.gz DOBWVHWXXAKXED-KGLIPLIRSA-N 3 2 296.459 0.787 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000616926692 365470694 /nfs/dbraw/zinc/47/06/94/365470694.db2.gz MDZQOVQPGBHINT-NSHDSACASA-N 2 2 268.386 0.805 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000616926692 365470703 /nfs/dbraw/zinc/47/07/03/365470703.db2.gz MDZQOVQPGBHINT-NSHDSACASA-N 2 2 268.386 0.805 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000616926692 365470711 /nfs/dbraw/zinc/47/07/11/365470711.db2.gz MDZQOVQPGBHINT-NSHDSACASA-N 2 2 268.386 0.805 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000616926692 365470716 /nfs/dbraw/zinc/47/07/16/365470716.db2.gz MDZQOVQPGBHINT-NSHDSACASA-N 2 2 268.386 0.805 20 0 CCADLP CC[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)[C@@H](C)O ZINC000622144507 367057660 /nfs/dbraw/zinc/05/76/60/367057660.db2.gz KFJUXNHXBDVUFO-CHWSQXEVSA-N 2 2 273.421 0.393 20 0 CCADLP CC[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)[C@@H](C)O ZINC000622144507 367057666 /nfs/dbraw/zinc/05/76/66/367057666.db2.gz KFJUXNHXBDVUFO-CHWSQXEVSA-N 2 2 273.421 0.393 20 0 CCADLP CC[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)[C@H](C)O ZINC000622144510 367057885 /nfs/dbraw/zinc/05/78/85/367057885.db2.gz KFJUXNHXBDVUFO-STQMWFEESA-N 2 2 273.421 0.393 20 0 CCADLP CC[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)[C@H](C)O ZINC000622144510 367057892 /nfs/dbraw/zinc/05/78/92/367057892.db2.gz KFJUXNHXBDVUFO-STQMWFEESA-N 2 2 273.421 0.393 20 0 CCADLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC000335559635 212264769 /nfs/dbraw/zinc/26/47/69/212264769.db2.gz QMNDBISIZNEQGI-RYUDHWBXSA-N 2 2 274.368 0.798 20 0 CCADLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC000335559635 212264772 /nfs/dbraw/zinc/26/47/72/212264772.db2.gz QMNDBISIZNEQGI-RYUDHWBXSA-N 2 2 274.368 0.798 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000622631207 367232268 /nfs/dbraw/zinc/23/22/68/367232268.db2.gz IXVNVRQHZWTAAB-CQSZACIVSA-N 2 2 294.399 0.316 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000622631207 367232273 /nfs/dbraw/zinc/23/22/73/367232273.db2.gz IXVNVRQHZWTAAB-CQSZACIVSA-N 2 2 294.399 0.316 20 0 CCADLP C/C=C/C[C@H](CO)[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000566232624 291380742 /nfs/dbraw/zinc/38/07/42/291380742.db2.gz BISWKPQBVXPNCR-JNADROCBSA-N 2 2 286.416 0.373 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623180615 367468889 /nfs/dbraw/zinc/46/88/89/367468889.db2.gz PUZONQWZZWESCO-SDDRHHMPSA-N 2 2 262.357 0.702 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623176347 367464411 /nfs/dbraw/zinc/46/44/11/367464411.db2.gz WBKXPYZIVIJUOD-WDEREUQCSA-N 2 2 250.346 0.545 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623270486 367506073 /nfs/dbraw/zinc/50/60/73/367506073.db2.gz HKLDRIQPLQOZLZ-WCQYABFASA-N 2 2 262.357 0.798 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623270486 367506079 /nfs/dbraw/zinc/50/60/79/367506079.db2.gz HKLDRIQPLQOZLZ-WCQYABFASA-N 2 2 262.357 0.798 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000623300684 367523137 /nfs/dbraw/zinc/52/31/37/367523137.db2.gz XVYIMBRWDKSEIY-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000623300684 367523146 /nfs/dbraw/zinc/52/31/46/367523146.db2.gz XVYIMBRWDKSEIY-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP CC1(C)C[NH+](CC(=O)N[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000623300502 367524161 /nfs/dbraw/zinc/52/41/61/367524161.db2.gz SSZAYSKQNOXMSR-LLVKDONJSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@H](CC(=O)N1CC[NH2+]C[C@](C)(F)C1)n1cc[nH+]c1 ZINC000574167908 334997683 /nfs/dbraw/zinc/99/76/83/334997683.db2.gz XWGGKGQVYJMOFP-YPMHNXCESA-N 2 2 268.336 0.994 20 0 CCADLP CCCn1cc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cn1 ZINC000623618176 367603893 /nfs/dbraw/zinc/60/38/93/367603893.db2.gz HGGKVIQSFWOUSC-AWEZNQCLSA-N 2 2 293.415 0.723 20 0 CCADLP CCCn1cc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cn1 ZINC000623618176 367603897 /nfs/dbraw/zinc/60/38/97/367603897.db2.gz HGGKVIQSFWOUSC-AWEZNQCLSA-N 2 2 293.415 0.723 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccccn1 ZINC000623617881 367604346 /nfs/dbraw/zinc/60/43/46/367604346.db2.gz TZNUFUBTOUPXJC-ZDUSSCGKSA-N 2 2 262.357 0.511 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccccn1 ZINC000623617881 367604354 /nfs/dbraw/zinc/60/43/54/367604354.db2.gz TZNUFUBTOUPXJC-ZDUSSCGKSA-N 2 2 262.357 0.511 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CCO1 ZINC000623618987 367606623 /nfs/dbraw/zinc/60/66/23/367606623.db2.gz NFXXWJRENMLQGU-UPJWGTAASA-N 2 2 269.389 0.483 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CCO1 ZINC000623618987 367606630 /nfs/dbraw/zinc/60/66/30/367606630.db2.gz NFXXWJRENMLQGU-UPJWGTAASA-N 2 2 269.389 0.483 20 0 CCADLP COc1cncc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)n1 ZINC000625264966 368122748 /nfs/dbraw/zinc/12/27/48/368122748.db2.gz OXJZWZDPNHKWMC-UHFFFAOYSA-N 2 2 288.355 0.541 20 0 CCADLP COCC[N@H+](C)CCNC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000625132587 368072418 /nfs/dbraw/zinc/07/24/18/368072418.db2.gz FLHLYRREDLOYEC-CYBMUJFWSA-N 2 2 294.399 0.448 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000625132587 368072422 /nfs/dbraw/zinc/07/24/22/368072422.db2.gz FLHLYRREDLOYEC-CYBMUJFWSA-N 2 2 294.399 0.448 20 0 CCADLP OC1(C[NH+]2CCC([NH+]3CCOCC3)CC2)CCOCC1 ZINC000625546617 368240160 /nfs/dbraw/zinc/24/01/60/368240160.db2.gz CYLZQSDUSKVXRB-UHFFFAOYSA-N 2 2 284.400 0.325 20 0 CCADLP C[NH2+]Cc1cccc(NC(=O)NC[C@H]2COCC[N@@H+]2C)c1 ZINC000625896104 368361757 /nfs/dbraw/zinc/36/17/57/368361757.db2.gz RTFRHXRCGJAVKO-AWEZNQCLSA-N 2 2 292.383 0.858 20 0 CCADLP C[NH2+]Cc1cccc(NC(=O)NC[C@H]2COCC[N@H+]2C)c1 ZINC000625896104 368361758 /nfs/dbraw/zinc/36/17/58/368361758.db2.gz RTFRHXRCGJAVKO-AWEZNQCLSA-N 2 2 292.383 0.858 20 0 CCADLP CCO[C@@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C1CC1 ZINC000625992981 368388180 /nfs/dbraw/zinc/38/81/80/368388180.db2.gz AAEVYIDHAHCEEX-OAHLLOKOSA-N 2 2 297.443 0.944 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCO[C@H](CC(N)=O)C1 ZINC000626077421 368429303 /nfs/dbraw/zinc/42/93/03/368429303.db2.gz JQIGUJUSYNKZRV-NWDGAFQWSA-N 2 2 255.362 0.047 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCO[C@H](CC(N)=O)C1 ZINC000626077421 368429309 /nfs/dbraw/zinc/42/93/09/368429309.db2.gz JQIGUJUSYNKZRV-NWDGAFQWSA-N 2 2 255.362 0.047 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626077421 368429312 /nfs/dbraw/zinc/42/93/12/368429312.db2.gz JQIGUJUSYNKZRV-NWDGAFQWSA-N 2 2 255.362 0.047 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626077421 368429317 /nfs/dbraw/zinc/42/93/17/368429317.db2.gz JQIGUJUSYNKZRV-NWDGAFQWSA-N 2 2 255.362 0.047 20 0 CCADLP O[C@@H]1C[C@H]2CN(c3cc(N4CCCC4)[nH+]cn3)CC[N@@H+]2C1 ZINC000656218553 412769929 /nfs/dbraw/zinc/76/99/29/412769929.db2.gz CBQFWEOJZGGVEV-QWHCGFSZSA-N 2 2 289.383 0.332 20 0 CCADLP O[C@@H]1C[C@H]2CN(c3cc(N4CCCC4)[nH+]cn3)CC[N@H+]2C1 ZINC000656218553 412769934 /nfs/dbraw/zinc/76/99/34/412769934.db2.gz CBQFWEOJZGGVEV-QWHCGFSZSA-N 2 2 289.383 0.332 20 0 CCADLP CC[N@H+](CCO)CCNC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000626485522 368560421 /nfs/dbraw/zinc/56/04/21/368560421.db2.gz BDXBBOMFONXXOW-ZDUSSCGKSA-N 2 2 294.399 0.184 20 0 CCADLP CC[N@@H+](CCO)CCNC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000626485522 368560428 /nfs/dbraw/zinc/56/04/28/368560428.db2.gz BDXBBOMFONXXOW-ZDUSSCGKSA-N 2 2 294.399 0.184 20 0 CCADLP C[C@@H](NC(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000626970848 368704131 /nfs/dbraw/zinc/70/41/31/368704131.db2.gz WANRKLODPJLZJD-MROQNXINSA-N 2 2 284.404 0.145 20 0 CCADLP C[NH2+]CCOCCNC(=O)NCc1c[nH+]c(C)cc1C ZINC000627054416 368760048 /nfs/dbraw/zinc/76/00/48/368760048.db2.gz ATVWMBDTVKMPNG-UHFFFAOYSA-N 2 2 280.372 0.734 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N(C)CCOCC[NH2+]C ZINC000627052114 368757784 /nfs/dbraw/zinc/75/77/84/368757784.db2.gz KHVHUPSPSQWCQM-LBPRGKRZSA-N 2 2 297.403 0.841 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)N(C)Cc2c[nH+]c[nH]2)C[NH2+]1 ZINC000627209530 368881869 /nfs/dbraw/zinc/88/18/69/368881869.db2.gz GFKCFWVHEKDYAF-ZJUUUORDSA-N 2 2 251.334 0.692 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)N(C)Cc2c[nH]c[nH+]2)C[NH2+]1 ZINC000627209530 368881874 /nfs/dbraw/zinc/88/18/74/368881874.db2.gz GFKCFWVHEKDYAF-ZJUUUORDSA-N 2 2 251.334 0.692 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@H]21 ZINC000627649072 369063642 /nfs/dbraw/zinc/06/36/42/369063642.db2.gz IBJQLXMBIXESQQ-NMKXLXIOSA-N 2 2 274.368 0.464 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](CCCF)CC2)C1 ZINC000627958922 369147014 /nfs/dbraw/zinc/14/70/14/369147014.db2.gz OJMDGAQGQBLIIF-ZDUSSCGKSA-N 2 2 287.379 0.211 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](CCCF)CC2)C1 ZINC000627958922 369147020 /nfs/dbraw/zinc/14/70/20/369147020.db2.gz OJMDGAQGQBLIIF-ZDUSSCGKSA-N 2 2 287.379 0.211 20 0 CCADLP Cc1c[nH]c(CN2CCC([N@H+](C)CCCO)CC2)[nH+]1 ZINC000628175064 369202239 /nfs/dbraw/zinc/20/22/39/369202239.db2.gz ILRWVQLAAIFXOS-UHFFFAOYSA-N 2 2 266.389 0.997 20 0 CCADLP Cc1c[nH]c(CN2CCC([N@@H+](C)CCCO)CC2)[nH+]1 ZINC000628175064 369202242 /nfs/dbraw/zinc/20/22/42/369202242.db2.gz ILRWVQLAAIFXOS-UHFFFAOYSA-N 2 2 266.389 0.997 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000628648678 369359887 /nfs/dbraw/zinc/35/98/87/369359887.db2.gz OTBAFAQZDLPZTN-WDEREUQCSA-N 2 2 262.357 0.725 20 0 CCADLP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000628648678 369359890 /nfs/dbraw/zinc/35/98/90/369359890.db2.gz OTBAFAQZDLPZTN-WDEREUQCSA-N 2 2 262.357 0.725 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000628648678 369359891 /nfs/dbraw/zinc/35/98/91/369359891.db2.gz OTBAFAQZDLPZTN-WDEREUQCSA-N 2 2 262.357 0.725 20 0 CCADLP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000628648678 369359893 /nfs/dbraw/zinc/35/98/93/369359893.db2.gz OTBAFAQZDLPZTN-WDEREUQCSA-N 2 2 262.357 0.725 20 0 CCADLP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2COCC[N@@H+]2C)c1 ZINC000628919708 369463685 /nfs/dbraw/zinc/46/36/85/369463685.db2.gz VENGNUINLLSQSO-HNNXBMFYSA-N 2 2 291.395 0.809 20 0 CCADLP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2COCC[N@H+]2C)c1 ZINC000628919708 369463689 /nfs/dbraw/zinc/46/36/89/369463689.db2.gz VENGNUINLLSQSO-HNNXBMFYSA-N 2 2 291.395 0.809 20 0 CCADLP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1nccn1C ZINC000330890179 203357204 /nfs/dbraw/zinc/35/72/04/203357204.db2.gz VULLXIFONINRLC-AAEUAGOBSA-N 2 2 252.362 0.527 20 0 CCADLP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1nccn1C ZINC000330890179 203357208 /nfs/dbraw/zinc/35/72/08/203357208.db2.gz VULLXIFONINRLC-AAEUAGOBSA-N 2 2 252.362 0.527 20 0 CCADLP C[C@@H](c1nnnn1C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000276229303 193250934 /nfs/dbraw/zinc/25/09/34/193250934.db2.gz MXZZKOKRDKHYHW-UWVGGRQHSA-N 2 2 261.333 0.874 20 0 CCADLP C[C@@H](c1nnnn1C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000276229303 193250935 /nfs/dbraw/zinc/25/09/35/193250935.db2.gz MXZZKOKRDKHYHW-UWVGGRQHSA-N 2 2 261.333 0.874 20 0 CCADLP COc1ccncc1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629579524 369722593 /nfs/dbraw/zinc/72/25/93/369722593.db2.gz FLZKUSYLQBJKMV-ZDUSSCGKSA-N 2 2 265.357 0.637 20 0 CCADLP C[N@H+](CCOCC[NH3+])Cc1cn(-c2ccccc2)nn1 ZINC000629578250 369720809 /nfs/dbraw/zinc/72/08/09/369720809.db2.gz IECCXQWSJLECKN-UHFFFAOYSA-N 2 2 275.356 0.674 20 0 CCADLP C[N@@H+](CCOCC[NH3+])Cc1cn(-c2ccccc2)nn1 ZINC000629578250 369720812 /nfs/dbraw/zinc/72/08/12/369720812.db2.gz IECCXQWSJLECKN-UHFFFAOYSA-N 2 2 275.356 0.674 20 0 CCADLP Cc1noc([C@H]2OCC[C@H]2[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)n1 ZINC000629545434 369698753 /nfs/dbraw/zinc/69/87/53/369698753.db2.gz IWMRTFLAXJTGQW-SQNXGDPESA-N 2 2 296.371 0.565 20 0 CCADLP Cc1noc([C@H]2OCC[C@H]2[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)n1 ZINC000629545428 369699296 /nfs/dbraw/zinc/69/92/96/369699296.db2.gz IWMRTFLAXJTGQW-JHEVNIALSA-N 2 2 296.371 0.565 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCN(C)CC(F)F ZINC000629555886 369705802 /nfs/dbraw/zinc/70/58/02/369705802.db2.gz HTSJUAFPTVMKQX-QWRGUYRKSA-N 2 2 265.348 0.540 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000276574875 193386110 /nfs/dbraw/zinc/38/61/10/193386110.db2.gz KVLIYMKFQWZXCY-ITDFMYJTSA-N 2 2 278.356 0.338 20 0 CCADLP CNS(=O)(=O)C[C@H]1CCC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000629673942 369752910 /nfs/dbraw/zinc/75/29/10/369752910.db2.gz QUUJYQZCPUDDCN-QWHCGFSZSA-N 2 2 291.461 0.621 20 0 CCADLP CNS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000629673942 369752914 /nfs/dbraw/zinc/75/29/14/369752914.db2.gz QUUJYQZCPUDDCN-QWHCGFSZSA-N 2 2 291.461 0.621 20 0 CCADLP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2nnnn2CC2CC2)C1 ZINC000567406770 291482240 /nfs/dbraw/zinc/48/22/40/291482240.db2.gz RSWCBBLOTDKOFC-QWRGUYRKSA-N 2 2 250.350 0.443 20 0 CCADLP COCCN(CC[NH+](C)C)C(=O)CCc1c[nH+]cn1C ZINC000276546186 193375965 /nfs/dbraw/zinc/37/59/65/193375965.db2.gz GVZJXNYPUDNRCO-UHFFFAOYSA-N 2 2 282.388 0.389 20 0 CCADLP O[C@H](C[NH2+]Cc1ccc2c[nH+]cn2c1)C[NH+]1CCCC1 ZINC000629580858 369725247 /nfs/dbraw/zinc/72/52/47/369725247.db2.gz WXWFUSQTMZBHQL-OAHLLOKOSA-N 3 2 274.368 0.881 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COC1CCOCC1 ZINC000629590456 369731081 /nfs/dbraw/zinc/73/10/81/369731081.db2.gz BSJRREZPPLJCSD-OLZOCXBDSA-N 2 2 272.389 0.227 20 0 CCADLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COC1CCOCC1 ZINC000629590456 369731086 /nfs/dbraw/zinc/73/10/86/369731086.db2.gz BSJRREZPPLJCSD-OLZOCXBDSA-N 2 2 272.389 0.227 20 0 CCADLP COCCOC[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000629600916 369735553 /nfs/dbraw/zinc/73/55/53/369735553.db2.gz BWEWUELUPPGQHQ-CABCVRRESA-N 2 2 286.416 0.617 20 0 CCADLP COCCOC[C@@H](O)C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000629600916 369735558 /nfs/dbraw/zinc/73/55/58/369735558.db2.gz BWEWUELUPPGQHQ-CABCVRRESA-N 2 2 286.416 0.617 20 0 CCADLP C[N@H+](CC(=O)NCC[NH+]1CCOCC1(C)C)C1CCC1 ZINC000629958998 369854268 /nfs/dbraw/zinc/85/42/68/369854268.db2.gz ZEGQRIHVFKBOHF-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP C[N@@H+](CC(=O)NCC[NH+]1CCOCC1(C)C)C1CCC1 ZINC000629958998 369854270 /nfs/dbraw/zinc/85/42/70/369854270.db2.gz ZEGQRIHVFKBOHF-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+](CC(=O)NCC[N@@H+]1CCOCC1(C)C)C1CCC1 ZINC000629958998 369854273 /nfs/dbraw/zinc/85/42/73/369854273.db2.gz ZEGQRIHVFKBOHF-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+](CC(=O)NCC[N@H+]1CCOCC1(C)C)C1CCC1 ZINC000629958998 369854277 /nfs/dbraw/zinc/85/42/77/369854277.db2.gz ZEGQRIHVFKBOHF-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+]1CCOC[C@H]1CNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000630023835 369901547 /nfs/dbraw/zinc/90/15/47/369901547.db2.gz RQNXWCYTRZGKGL-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+]1CCOC[C@H]1CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000630023835 369901550 /nfs/dbraw/zinc/90/15/50/369901550.db2.gz RQNXWCYTRZGKGL-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+]1CCCC[C@H]1CCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000630023835 369901553 /nfs/dbraw/zinc/90/15/53/369901553.db2.gz RQNXWCYTRZGKGL-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+]1CCCC[C@H]1CCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000630023835 369901558 /nfs/dbraw/zinc/90/15/58/369901558.db2.gz RQNXWCYTRZGKGL-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP C[N@@H+]1CCN(c2ccc(C(=O)NC3CC3)cn2)[C@@H](C[NH3+])C1 ZINC000630511142 370139209 /nfs/dbraw/zinc/13/92/09/370139209.db2.gz NPUIFCORFGRXSH-ZDUSSCGKSA-N 2 2 289.383 0.053 20 0 CCADLP C[N@H+]1CCN(c2ccc(C(=O)NC3CC3)cn2)[C@@H](C[NH3+])C1 ZINC000630511142 370139211 /nfs/dbraw/zinc/13/92/11/370139211.db2.gz NPUIFCORFGRXSH-ZDUSSCGKSA-N 2 2 289.383 0.053 20 0 CCADLP CC[C@](C)([NH3+])c1cn(CC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000630611779 370209830 /nfs/dbraw/zinc/20/98/30/370209830.db2.gz KJMGHMCFSFRICC-AWEZNQCLSA-N 3 2 282.436 0.746 20 0 CCADLP CC[C@](C)([NH3+])c1cn(CC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000630611779 370209833 /nfs/dbraw/zinc/20/98/33/370209833.db2.gz KJMGHMCFSFRICC-AWEZNQCLSA-N 3 2 282.436 0.746 20 0 CCADLP [NH3+][C@H]1CCCCCN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000631001271 370356084 /nfs/dbraw/zinc/35/60/84/370356084.db2.gz NGRWVVXDDRYELN-ZDUSSCGKSA-N 2 2 284.404 0.232 20 0 CCADLP Cc1nc(NC[C@@H](C2CCCCC2)[NH+](C)C)nc(N)[nH+]1 ZINC000631057468 370370708 /nfs/dbraw/zinc/37/07/08/370370708.db2.gz BERZUSPEXWOROZ-LBPRGKRZSA-N 2 2 278.404 0.937 20 0 CCADLP CC(C)n1ncnc1C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000631067263 370374974 /nfs/dbraw/zinc/37/49/74/370374974.db2.gz JSASZJCDAJDJEA-ZDUSSCGKSA-N 2 2 280.420 0.585 20 0 CCADLP COc1cncc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1C ZINC000631111895 370386312 /nfs/dbraw/zinc/38/63/12/370386312.db2.gz LDPPGOIUSHJQMN-AWEZNQCLSA-N 2 2 265.357 0.555 20 0 CCADLP COc1cncc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1C ZINC000631111895 370386318 /nfs/dbraw/zinc/38/63/18/370386318.db2.gz LDPPGOIUSHJQMN-AWEZNQCLSA-N 2 2 265.357 0.555 20 0 CCADLP CNS(=O)(=O)CCC[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000631230155 370430235 /nfs/dbraw/zinc/43/02/35/370430235.db2.gz STFZGJNINNPPQI-UHFFFAOYSA-N 2 2 296.396 0.672 20 0 CCADLP Cc1nc(N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)nc(N)[nH+]1 ZINC000631160805 370406179 /nfs/dbraw/zinc/40/61/79/370406179.db2.gz LXICCLWKVURGIE-PSASIEDQSA-N 2 2 250.350 0.733 20 0 CCADLP Cc1nc(N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)nc(N)[nH+]1 ZINC000631160805 370406180 /nfs/dbraw/zinc/40/61/80/370406180.db2.gz LXICCLWKVURGIE-PSASIEDQSA-N 2 2 250.350 0.733 20 0 CCADLP Cc1nc(N2CC[N@H+](C)C(C)(C)C2)nc(N(C)C)[nH+]1 ZINC000631334241 370478518 /nfs/dbraw/zinc/47/85/18/370478518.db2.gz GKMUTZOYCNIYMP-UHFFFAOYSA-N 2 2 264.377 0.776 20 0 CCADLP Cc1nc(N2CC[N@@H+](C)C(C)(C)C2)nc(N(C)C)[nH+]1 ZINC000631334241 370478521 /nfs/dbraw/zinc/47/85/21/370478521.db2.gz GKMUTZOYCNIYMP-UHFFFAOYSA-N 2 2 264.377 0.776 20 0 CCADLP Cc1nc(NC[C@@H]2CC[N@@H+]2C2CCCC2)nc(N)[nH+]1 ZINC000631404519 370520219 /nfs/dbraw/zinc/52/02/19/370520219.db2.gz VGHUAFTXFYUPGI-NSHDSACASA-N 2 2 262.361 0.443 20 0 CCADLP Cc1nc(NC[C@@H]2CC[N@H+]2C2CCCC2)nc(N)[nH+]1 ZINC000631404519 370520225 /nfs/dbraw/zinc/52/02/25/370520225.db2.gz VGHUAFTXFYUPGI-NSHDSACASA-N 2 2 262.361 0.443 20 0 CCADLP Cc1nc(N[C@@H](C)C[NH+]2CCC(C)CC2)nc(N)[nH+]1 ZINC000631365360 370499602 /nfs/dbraw/zinc/49/96/02/370499602.db2.gz UXIGYUVYAGGFMO-JTQLQIEISA-N 2 2 264.377 0.547 20 0 CCADLP O=C1CNC(=O)N1CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000331746526 204117561 /nfs/dbraw/zinc/11/75/61/204117561.db2.gz IHIUVVHNYSBXKR-SNVBAGLBSA-N 2 2 277.328 0.141 20 0 CCADLP O=C1CNC(=O)N1CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000331746526 204117564 /nfs/dbraw/zinc/11/75/64/204117564.db2.gz IHIUVVHNYSBXKR-SNVBAGLBSA-N 2 2 277.328 0.141 20 0 CCADLP Cc1ccc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c(C)[nH+]1 ZINC000633028489 371365155 /nfs/dbraw/zinc/36/51/55/371365155.db2.gz CXRMHGNZTHLHRM-QWRGUYRKSA-N 2 2 274.324 0.210 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000567909786 291534712 /nfs/dbraw/zinc/53/47/12/291534712.db2.gz UHRMVABWRNEEQN-GFCCVEGCSA-N 2 2 280.372 0.542 20 0 CCADLP C[C@](O)(C[C@@H](O)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000634714813 372158651 /nfs/dbraw/zinc/15/86/51/372158651.db2.gz RJZHROFHYKQTMP-JMSVASOKSA-N 2 2 279.384 0.769 20 0 CCADLP C[C@](O)(C[C@@H](O)C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000634714813 372158658 /nfs/dbraw/zinc/15/86/58/372158658.db2.gz RJZHROFHYKQTMP-JMSVASOKSA-N 2 2 279.384 0.769 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCCn2nccc21)C1CC1 ZINC000634730886 372175697 /nfs/dbraw/zinc/17/56/97/372175697.db2.gz WRDZFDBPLBWBQT-CHWSQXEVSA-N 2 2 264.373 0.763 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCCn2nccc21)C1CC1 ZINC000634730886 372175703 /nfs/dbraw/zinc/17/57/03/372175703.db2.gz WRDZFDBPLBWBQT-CHWSQXEVSA-N 2 2 264.373 0.763 20 0 CCADLP CCc1nc(N2CC[N@H+](C)C[C@@H]2CO)cc(C)[nH+]1 ZINC000634801525 372242401 /nfs/dbraw/zinc/24/24/01/372242401.db2.gz BCOKTXOBXBECKJ-LLVKDONJSA-N 2 2 250.346 0.460 20 0 CCADLP CCc1nc(N2CC[N@@H+](C)C[C@@H]2CO)cc(C)[nH+]1 ZINC000634801525 372242410 /nfs/dbraw/zinc/24/24/10/372242410.db2.gz BCOKTXOBXBECKJ-LLVKDONJSA-N 2 2 250.346 0.460 20 0 CCADLP CC1(O)CCN(c2cc(N3CCC[C@H]([NH3+])C3)nc[nH+]2)CC1 ZINC000634807267 372246961 /nfs/dbraw/zinc/24/69/61/372246961.db2.gz DYPNQZLVKKPTAJ-LBPRGKRZSA-N 2 2 291.399 0.755 20 0 CCADLP C[C@@H]1C[C@H](Nc2[nH+]cnc(-n3cccn3)c2N)CC[NH2+]1 ZINC000634808033 372247911 /nfs/dbraw/zinc/24/79/11/372247911.db2.gz HYZMQLUKVXPHOA-NXEZZACHSA-N 2 2 273.344 0.797 20 0 CCADLP OC[C@H]1CCCN(c2cc(NC3C[NH2+]C3)nc[nH+]2)C1 ZINC000634809184 372252454 /nfs/dbraw/zinc/25/24/54/372252454.db2.gz LUDCMQWAUZHUAK-JTQLQIEISA-N 2 2 263.345 0.069 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCNC(=O)CC1 ZINC000634968288 372318916 /nfs/dbraw/zinc/31/89/16/372318916.db2.gz KWOKKNSEUNRFEG-NQBHXWOUSA-N 2 2 251.374 0.727 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCNC(=O)CC1 ZINC000634968288 372318920 /nfs/dbraw/zinc/31/89/20/372318920.db2.gz KWOKKNSEUNRFEG-NQBHXWOUSA-N 2 2 251.374 0.727 20 0 CCADLP O=C1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)CCN1 ZINC000634982506 372321638 /nfs/dbraw/zinc/32/16/38/372321638.db2.gz NCMQILISIFGQLW-STQMWFEESA-N 2 2 269.389 0.092 20 0 CCADLP O=C1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)CCN1 ZINC000634982506 372321647 /nfs/dbraw/zinc/32/16/47/372321647.db2.gz NCMQILISIFGQLW-STQMWFEESA-N 2 2 269.389 0.092 20 0 CCADLP C[C@H]1C[N@H+](Cc2nc3c(s2)C[NH2+]CC3)C[C@H]1C[NH3+] ZINC000634998131 372335742 /nfs/dbraw/zinc/33/57/42/372335742.db2.gz BBUAIZRDKKZOQA-VHSXEESVSA-N 3 2 266.414 0.815 20 0 CCADLP C[C@H]1C[N@@H+](Cc2nc3c(s2)C[NH2+]CC3)C[C@H]1C[NH3+] ZINC000634998131 372335747 /nfs/dbraw/zinc/33/57/47/372335747.db2.gz BBUAIZRDKKZOQA-VHSXEESVSA-N 3 2 266.414 0.815 20 0 CCADLP C[N@H+](CC(=O)NCCn1cc[nH+]c1)CC(C)(C)C ZINC000635282741 372446718 /nfs/dbraw/zinc/44/67/18/372446718.db2.gz ZRJHYKWSHCZWIF-UHFFFAOYSA-N 2 2 252.362 0.977 20 0 CCADLP C[N@@H+](CC(=O)NCCn1cc[nH+]c1)CC(C)(C)C ZINC000635282741 372446725 /nfs/dbraw/zinc/44/67/25/372446725.db2.gz ZRJHYKWSHCZWIF-UHFFFAOYSA-N 2 2 252.362 0.977 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC000635314242 372455664 /nfs/dbraw/zinc/45/56/64/372455664.db2.gz VJYBJCFDDLCIDE-GFCCVEGCSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC000635312425 372456904 /nfs/dbraw/zinc/45/69/04/372456904.db2.gz AALXDBAZKFZSBG-CYBMUJFWSA-N 2 2 285.432 0.801 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000635312425 372456910 /nfs/dbraw/zinc/45/69/10/372456910.db2.gz AALXDBAZKFZSBG-CYBMUJFWSA-N 2 2 285.432 0.801 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000635464664 372534975 /nfs/dbraw/zinc/53/49/75/372534975.db2.gz HZVAYLUSJBUQMI-CYBMUJFWSA-N 2 2 294.399 0.843 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000635464664 372534978 /nfs/dbraw/zinc/53/49/78/372534978.db2.gz HZVAYLUSJBUQMI-CYBMUJFWSA-N 2 2 294.399 0.843 20 0 CCADLP C[C@H](C(=O)N1CCC(n2cc[nH+]c2)CC1)[NH+](C)C ZINC000635456269 372526022 /nfs/dbraw/zinc/52/60/22/372526022.db2.gz OBOQJOSVXMNDQQ-LLVKDONJSA-N 2 2 250.346 0.997 20 0 CCADLP COCCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635503524 372566182 /nfs/dbraw/zinc/56/61/82/372566182.db2.gz GZPNMYMXRKIVGI-VXGBXAGGSA-N 2 2 280.372 0.550 20 0 CCADLP COCCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635503524 372566193 /nfs/dbraw/zinc/56/61/93/372566193.db2.gz GZPNMYMXRKIVGI-VXGBXAGGSA-N 2 2 280.372 0.550 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635538152 372601915 /nfs/dbraw/zinc/60/19/15/372601915.db2.gz GIVPAOHVUVCDQT-IJLUTSLNSA-N 2 2 278.356 0.350 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635538152 372601920 /nfs/dbraw/zinc/60/19/20/372601920.db2.gz GIVPAOHVUVCDQT-IJLUTSLNSA-N 2 2 278.356 0.350 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635538152 372601928 /nfs/dbraw/zinc/60/19/28/372601928.db2.gz GIVPAOHVUVCDQT-IJLUTSLNSA-N 2 2 278.356 0.350 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635538152 372601937 /nfs/dbraw/zinc/60/19/37/372601937.db2.gz GIVPAOHVUVCDQT-IJLUTSLNSA-N 2 2 278.356 0.350 20 0 CCADLP O=C(NCc1cn2ccccc2[nH+]1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635527766 372590493 /nfs/dbraw/zinc/59/04/93/372590493.db2.gz LXQWDQPYXFMABM-TXEJJXNPSA-N 2 2 285.351 0.980 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@H]2CCC[N@@H+]2C)[nH+]1 ZINC000635559907 372630774 /nfs/dbraw/zinc/63/07/74/372630774.db2.gz WQAPRIJXCLGNCD-LLVKDONJSA-N 2 2 250.346 0.725 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@H]2CCC[N@H+]2C)[nH+]1 ZINC000635559907 372630781 /nfs/dbraw/zinc/63/07/81/372630781.db2.gz WQAPRIJXCLGNCD-LLVKDONJSA-N 2 2 250.346 0.725 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000635671327 372748457 /nfs/dbraw/zinc/74/84/57/372748457.db2.gz ZHOWJHOKOQEAKG-CQSZACIVSA-N 3 2 296.459 0.470 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000635671327 372748463 /nfs/dbraw/zinc/74/84/63/372748463.db2.gz ZHOWJHOKOQEAKG-CQSZACIVSA-N 3 2 296.459 0.470 20 0 CCADLP Cc1cc(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc[nH+]1 ZINC000333130007 205055544 /nfs/dbraw/zinc/05/55/44/205055544.db2.gz HUDALDBQGGZSGC-RYUDHWBXSA-N 2 2 260.341 0.885 20 0 CCADLP Cc1cc(NC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc[nH+]1 ZINC000333130004 205056826 /nfs/dbraw/zinc/05/68/26/205056826.db2.gz HUDALDBQGGZSGC-NWDGAFQWSA-N 2 2 260.341 0.885 20 0 CCADLP CCO[C@H](CC[NH+](C)C)CNC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635663158 372738429 /nfs/dbraw/zinc/73/84/29/372738429.db2.gz DHPVBUFDINZKFW-CYBMUJFWSA-N 2 2 296.415 0.988 20 0 CCADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NC(=O)NC)C1 ZINC000173899005 284348463 /nfs/dbraw/zinc/34/84/63/284348463.db2.gz XRSXPVFMYVTCPN-QWRGUYRKSA-N 2 2 270.377 0.104 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NC(=O)NC)C1 ZINC000173899005 284348464 /nfs/dbraw/zinc/34/84/64/284348464.db2.gz XRSXPVFMYVTCPN-QWRGUYRKSA-N 2 2 270.377 0.104 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C1 ZINC000173899005 284348465 /nfs/dbraw/zinc/34/84/65/284348465.db2.gz XRSXPVFMYVTCPN-QWRGUYRKSA-N 2 2 270.377 0.104 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NC)C1 ZINC000173899005 284348467 /nfs/dbraw/zinc/34/84/67/284348467.db2.gz XRSXPVFMYVTCPN-QWRGUYRKSA-N 2 2 270.377 0.104 20 0 CCADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)C(=O)NC[C@H]1CCCO1 ZINC000333192767 205104812 /nfs/dbraw/zinc/10/48/12/205104812.db2.gz AHDYLBKEQIBNNC-RKQHYHRCSA-N 2 2 283.416 0.646 20 0 CCADLP C[N@H+](CC(=O)NCC1([NH+]2CCOCC2)CC1)CC(C)(C)C ZINC000635858037 373009879 /nfs/dbraw/zinc/00/98/79/373009879.db2.gz BFUBSPGGJMWUAQ-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP C[N@@H+](CC(=O)NCC1([NH+]2CCOCC2)CC1)CC(C)(C)C ZINC000635858037 373009884 /nfs/dbraw/zinc/00/98/84/373009884.db2.gz BFUBSPGGJMWUAQ-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP OCc1cc(-n2cc(CC[NH+]3CCOCC3)nn2)cc[nH+]1 ZINC000656459668 412806292 /nfs/dbraw/zinc/80/62/92/412806292.db2.gz WWGOIVYCUWIXDZ-UHFFFAOYSA-N 2 2 289.339 0.029 20 0 CCADLP CCc1c[nH]c(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)[nH+]1 ZINC000635999324 373229749 /nfs/dbraw/zinc/22/97/49/373229749.db2.gz UQSDFFWFURVEPT-YABSGUDNSA-N 2 2 262.357 0.533 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@@H](C)C[N@@H+]1CCO ZINC000636034057 373282096 /nfs/dbraw/zinc/28/20/96/373282096.db2.gz GKNQNJWAPUEXMK-YVECIDJPSA-N 2 2 292.383 0.427 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@@H](C)C[N@H+]1CCO ZINC000636034057 373282098 /nfs/dbraw/zinc/28/20/98/373282098.db2.gz GKNQNJWAPUEXMK-YVECIDJPSA-N 2 2 292.383 0.427 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@@H](C)C[N@@H+]1CCO ZINC000636034057 373282101 /nfs/dbraw/zinc/28/21/01/373282101.db2.gz GKNQNJWAPUEXMK-YVECIDJPSA-N 2 2 292.383 0.427 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@@H](C)C[N@H+]1CCO ZINC000636034057 373282106 /nfs/dbraw/zinc/28/21/06/373282106.db2.gz GKNQNJWAPUEXMK-YVECIDJPSA-N 2 2 292.383 0.427 20 0 CCADLP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)[C@@H]1CCCC[NH+]1C ZINC000636035527 373283149 /nfs/dbraw/zinc/28/31/49/373283149.db2.gz SFOCVIJSJMGOFO-IHRRRGAJSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)[C@@H]1CCCC[NH+]1C ZINC000636035527 373283156 /nfs/dbraw/zinc/28/31/56/373283156.db2.gz SFOCVIJSJMGOFO-IHRRRGAJSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@H]1C[NH+](CCO)[C@@H](C)CN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000636035527 373283167 /nfs/dbraw/zinc/28/31/67/373283167.db2.gz SFOCVIJSJMGOFO-IHRRRGAJSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@H]1C[NH+](CCO)[C@@H](C)CN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC000636035527 373283172 /nfs/dbraw/zinc/28/31/72/373283172.db2.gz SFOCVIJSJMGOFO-IHRRRGAJSA-N 2 2 283.416 0.384 20 0 CCADLP CC[N@H+](CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C1CC1 ZINC000132949258 284388433 /nfs/dbraw/zinc/38/84/33/284388433.db2.gz RGZFSRXDBSGNNA-OAHLLOKOSA-N 2 2 295.427 0.794 20 0 CCADLP CC[N@@H+](CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C1CC1 ZINC000132949258 284388437 /nfs/dbraw/zinc/38/84/37/284388437.db2.gz RGZFSRXDBSGNNA-OAHLLOKOSA-N 2 2 295.427 0.794 20 0 CCADLP C[C@H](C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)[NH+](C)C ZINC000636171222 373425307 /nfs/dbraw/zinc/42/53/07/373425307.db2.gz FVFNNJOCHHMZHA-QJPTWQEYSA-N 2 2 257.378 0.162 20 0 CCADLP C[C@H](C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)[NH+](C)C ZINC000636171222 373425311 /nfs/dbraw/zinc/42/53/11/373425311.db2.gz FVFNNJOCHHMZHA-QJPTWQEYSA-N 2 2 257.378 0.162 20 0 CCADLP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)c1[nH+]ccn1C ZINC000636211313 373456646 /nfs/dbraw/zinc/45/66/46/373456646.db2.gz BBFFYRUUDUFHHC-SNVBAGLBSA-N 2 2 250.346 0.939 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636447158 373603034 /nfs/dbraw/zinc/60/30/34/373603034.db2.gz OETWTGKFVYLILE-NSHDSACASA-N 2 2 274.328 0.394 20 0 CCADLP C[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636645613 373692106 /nfs/dbraw/zinc/69/21/06/373692106.db2.gz PKMVPZGMFGITBC-MNOVXSKESA-N 2 2 263.345 0.201 20 0 CCADLP C[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636645613 373692111 /nfs/dbraw/zinc/69/21/11/373692111.db2.gz PKMVPZGMFGITBC-MNOVXSKESA-N 2 2 263.345 0.201 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C[N@@H+]1C1CC1 ZINC000636907069 373811337 /nfs/dbraw/zinc/81/13/37/373811337.db2.gz JFQKGFUKZOABEB-IJLUTSLNSA-N 2 2 289.383 0.732 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C[N@H+]1C1CC1 ZINC000636907069 373811341 /nfs/dbraw/zinc/81/13/41/373811341.db2.gz JFQKGFUKZOABEB-IJLUTSLNSA-N 2 2 289.383 0.732 20 0 CCADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)NC[C@@H]3COCC[NH+]3C)[C@@H]2C1 ZINC000637440676 374154845 /nfs/dbraw/zinc/15/48/45/374154845.db2.gz PWOHEUYBIDPNLG-BFHYXJOUSA-N 2 2 296.415 0.053 20 0 CCADLP C[N@H+]1C[C@@H]2CCCN(C(=O)NC[C@@H]3COCC[NH+]3C)[C@@H]2C1 ZINC000637440676 374154850 /nfs/dbraw/zinc/15/48/50/374154850.db2.gz PWOHEUYBIDPNLG-BFHYXJOUSA-N 2 2 296.415 0.053 20 0 CCADLP C[NH+]1C[C@@H]2CCCN(C(=O)NC[C@@H]3COCC[N@@H+]3C)[C@@H]2C1 ZINC000637440676 374154857 /nfs/dbraw/zinc/15/48/57/374154857.db2.gz PWOHEUYBIDPNLG-BFHYXJOUSA-N 2 2 296.415 0.053 20 0 CCADLP C[NH+]1C[C@@H]2CCCN(C(=O)NC[C@@H]3COCC[N@H+]3C)[C@@H]2C1 ZINC000637440676 374154862 /nfs/dbraw/zinc/15/48/62/374154862.db2.gz PWOHEUYBIDPNLG-BFHYXJOUSA-N 2 2 296.415 0.053 20 0 CCADLP C[NH+](C)CC1CCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000637445319 374168982 /nfs/dbraw/zinc/16/89/82/374168982.db2.gz JDXQRIZXHKDKNE-CQSZACIVSA-N 2 2 298.431 0.300 20 0 CCADLP C[NH+](C)CC1CCN(C(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000637445319 374168988 /nfs/dbraw/zinc/16/89/88/374168988.db2.gz JDXQRIZXHKDKNE-CQSZACIVSA-N 2 2 298.431 0.300 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H]1CCC[NH2+]C1)CC2 ZINC000637806310 374336667 /nfs/dbraw/zinc/33/66/67/374336667.db2.gz WQJXHTKXZWKJKZ-VXGBXAGGSA-N 2 2 262.357 0.622 20 0 CCADLP CCCN(C(=O)Cc1[nH]c[nH+]c1C)[C@H]1CC[NH2+]C1 ZINC000637834380 374379023 /nfs/dbraw/zinc/37/90/23/374379023.db2.gz WBGKLXKFKGCSNU-NSHDSACASA-N 2 2 250.346 0.861 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N(C)[C@H]1CC[NH2+]C1)CC2 ZINC000637834930 374380803 /nfs/dbraw/zinc/38/08/03/374380803.db2.gz BURGFJDIVXZEBV-RYUDHWBXSA-N 2 2 262.357 0.574 20 0 CCADLP C[C@@H](CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C(F)(F)F ZINC000637864130 374424545 /nfs/dbraw/zinc/42/45/45/374424545.db2.gz MUTOBAWRXWLSTD-IUCAKERBSA-N 2 2 267.295 0.676 20 0 CCADLP C[C@@H](CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C(F)(F)F ZINC000637864130 374424551 /nfs/dbraw/zinc/42/45/51/374424551.db2.gz MUTOBAWRXWLSTD-IUCAKERBSA-N 2 2 267.295 0.676 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)[nH+]1 ZINC000637866679 374430957 /nfs/dbraw/zinc/43/09/57/374430957.db2.gz PCPNJYQGOAEFOW-GXSJLCMTSA-N 2 2 266.345 0.089 20 0 CCADLP Cc1cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)n(C)n1 ZINC000656544393 412822571 /nfs/dbraw/zinc/82/25/71/412822571.db2.gz ZFJRLNJTIMHSAF-UHFFFAOYSA-N 2 2 296.419 0.734 20 0 CCADLP Cc1cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)n(C)n1 ZINC000656544393 412822572 /nfs/dbraw/zinc/82/25/72/412822572.db2.gz ZFJRLNJTIMHSAF-UHFFFAOYSA-N 2 2 296.419 0.734 20 0 CCADLP Nc1ncc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(N)n1 ZINC000637982673 374528291 /nfs/dbraw/zinc/52/82/91/374528291.db2.gz HAYLQTKEORBDJO-UHFFFAOYSA-N 2 2 273.344 0.335 20 0 CCADLP Cc1ccn2cc(CNC(=O)[C@]3(C)C[NH2+]CCO3)[nH+]c2c1 ZINC000638075986 374631538 /nfs/dbraw/zinc/63/15/38/374631538.db2.gz JFBFKJAUEWSKBK-HNNXBMFYSA-N 2 2 288.351 0.637 20 0 CCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cnc(C[NH3+])nc1 ZINC000638073202 374626879 /nfs/dbraw/zinc/62/68/79/374626879.db2.gz CTAOFTDCDKOEJK-SNVBAGLBSA-N 2 2 288.355 0.506 20 0 CCADLP COc1cc[nH+]cc1NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638089548 374649553 /nfs/dbraw/zinc/64/95/53/374649553.db2.gz BEJNQXCNIYCBIM-LBPRGKRZSA-N 2 2 251.286 0.407 20 0 CCADLP CC(C)CC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000638089789 374650495 /nfs/dbraw/zinc/65/04/95/374650495.db2.gz DEENAMGTUSDPKD-OLZOCXBDSA-N 2 2 271.405 0.587 20 0 CCADLP CC(C)CC[C@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000638089789 374650500 /nfs/dbraw/zinc/65/05/00/374650500.db2.gz DEENAMGTUSDPKD-OLZOCXBDSA-N 2 2 271.405 0.587 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638098846 374661352 /nfs/dbraw/zinc/66/13/52/374661352.db2.gz PUNPWKLMVLSKLQ-GFCCVEGCSA-N 2 2 267.373 0.261 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638098846 374661356 /nfs/dbraw/zinc/66/13/56/374661356.db2.gz PUNPWKLMVLSKLQ-GFCCVEGCSA-N 2 2 267.373 0.261 20 0 CCADLP COc1cccc(C[C@H]([NH3+])C(=O)NCc2[nH]cc[nH+]2)c1 ZINC000638114743 374679674 /nfs/dbraw/zinc/67/96/74/374679674.db2.gz LYGIKHWEKUPIIK-LBPRGKRZSA-N 2 2 274.324 0.605 20 0 CCADLP C[C@H](C[NH3+])NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000638173607 374758185 /nfs/dbraw/zinc/75/81/85/374758185.db2.gz ZIJXBDGETSRGKO-HTQZYQBOSA-N 2 2 264.251 0.840 20 0 CCADLP Cc1cn2ccc(C(=O)NCC(F)(F)C[NH3+])cc2[nH+]1 ZINC000638173729 374758518 /nfs/dbraw/zinc/75/85/18/374758518.db2.gz DIKBGBQFWCSIKE-UHFFFAOYSA-N 2 2 268.267 0.967 20 0 CCADLP COCC1(CNC(=O)Cc2[nH]c[nH+]c2C)CC[NH2+]CC1 ZINC000638224755 374812083 /nfs/dbraw/zinc/81/20/83/374812083.db2.gz NWNQAMQYZGYKJI-UHFFFAOYSA-N 2 2 280.372 0.393 20 0 CCADLP COCC1(CNC(=O)Cc2[nH+]c[nH]c2C)CC[NH2+]CC1 ZINC000638224755 374812088 /nfs/dbraw/zinc/81/20/88/374812088.db2.gz NWNQAMQYZGYKJI-UHFFFAOYSA-N 2 2 280.372 0.393 20 0 CCADLP C[NH+](C)CCC[NH2+]Cc1cc2c(cn1)OCCO2 ZINC000638289095 374896395 /nfs/dbraw/zinc/89/63/95/374896395.db2.gz JAXBYOWAJOLGAW-UHFFFAOYSA-N 2 2 251.330 0.894 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000638290028 374898839 /nfs/dbraw/zinc/89/88/39/374898839.db2.gz OVSUOQXEWVBGMT-NWDGAFQWSA-N 2 2 262.357 0.775 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H](C)[C@@H](C)[NH3+])CC2 ZINC000638254011 374849519 /nfs/dbraw/zinc/84/95/19/374849519.db2.gz DYTPEOXOASMSHB-GMTAPVOTSA-N 2 2 250.346 0.606 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000638326426 374926798 /nfs/dbraw/zinc/92/67/98/374926798.db2.gz MEUQTYMODHLJAZ-GFCCVEGCSA-N 2 2 250.346 0.894 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000638326426 374926805 /nfs/dbraw/zinc/92/68/05/374926805.db2.gz MEUQTYMODHLJAZ-GFCCVEGCSA-N 2 2 250.346 0.894 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[C@H]([NH3+])[C@@H]1C)CC2 ZINC000638335028 374935083 /nfs/dbraw/zinc/93/50/83/374935083.db2.gz IFSQMUTVNKRWDF-SRVKXCTJSA-N 2 2 262.357 0.702 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC(C)(C)CC[NH3+])CC2 ZINC000638355654 374953119 /nfs/dbraw/zinc/95/31/19/374953119.db2.gz PMGFMUBMDJRXSX-NSHDSACASA-N 2 2 264.373 0.998 20 0 CCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C[NH3+] ZINC000638392511 374985754 /nfs/dbraw/zinc/98/57/54/374985754.db2.gz YMOZHBGTIQQEAA-ZYHUDNBSSA-N 2 2 266.345 0.083 20 0 CCADLP CC[NH2+][C@H](C)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000638406279 375003541 /nfs/dbraw/zinc/00/35/41/375003541.db2.gz KDNBGGNUNXAIEJ-SDDRHHMPSA-N 2 2 257.378 0.210 20 0 CCADLP CC[NH2+][C@H](C)C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000638406279 375003548 /nfs/dbraw/zinc/00/35/48/375003548.db2.gz KDNBGGNUNXAIEJ-SDDRHHMPSA-N 2 2 257.378 0.210 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@]1(C)CC[NH2+]C1)CC2 ZINC000638438813 375041173 /nfs/dbraw/zinc/04/11/73/375041173.db2.gz DCPMBFVHPZYCJP-FZMZJTMJSA-N 2 2 262.357 0.622 20 0 CCADLP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[C@H]1F ZINC000638431098 375030165 /nfs/dbraw/zinc/03/01/65/375030165.db2.gz IENAERYAAHNEHH-ZYUZMQFOSA-N 2 2 252.293 0.411 20 0 CCADLP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[C@H]1F ZINC000638431098 375030172 /nfs/dbraw/zinc/03/01/72/375030172.db2.gz IENAERYAAHNEHH-ZYUZMQFOSA-N 2 2 252.293 0.411 20 0 CCADLP C[NH2+]CCOCCNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000638577790 375157655 /nfs/dbraw/zinc/15/76/55/375157655.db2.gz VZTFBJRWMQLVCT-UHFFFAOYSA-N 2 2 293.358 0.316 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)NC3(C[NH3+])CCOCC3)ccn12 ZINC000638631082 375235211 /nfs/dbraw/zinc/23/52/11/375235211.db2.gz GISSBPVKGUJVPF-UHFFFAOYSA-N 2 2 288.351 0.880 20 0 CCADLP CCn1nc(C)cc1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000638702812 375307441 /nfs/dbraw/zinc/30/74/41/375307441.db2.gz SKHYGVOZNWMIJK-JTQLQIEISA-N 2 2 253.350 0.429 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCOc2cc(F)ccc2C1 ZINC000638793770 375361401 /nfs/dbraw/zinc/36/14/01/375361401.db2.gz HWBVWGCQBASCNO-ZDUSSCGKSA-N 2 2 295.358 0.826 20 0 CCADLP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925786 375461668 /nfs/dbraw/zinc/46/16/68/375461668.db2.gz WJXWWUVAKSEMRS-TXEJJXNPSA-N 2 2 283.335 0.844 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000638932136 375468181 /nfs/dbraw/zinc/46/81/81/375468181.db2.gz ULBTWVHPMBQLMK-GHMZBOCLSA-N 2 2 262.357 0.710 20 0 CCADLP Cc1cc(N)cc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000638979643 375493618 /nfs/dbraw/zinc/49/36/18/375493618.db2.gz LHSPYTUDORVPKY-LBPRGKRZSA-N 2 2 250.346 0.795 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc(N)nc2N)C1 ZINC000639170040 375615131 /nfs/dbraw/zinc/61/51/31/375615131.db2.gz OPCGKUJMWCBYMB-JTQLQIEISA-N 2 2 264.377 0.122 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cnc(N)nc2N)C1 ZINC000639170040 375615136 /nfs/dbraw/zinc/61/51/36/375615136.db2.gz OPCGKUJMWCBYMB-JTQLQIEISA-N 2 2 264.377 0.122 20 0 CCADLP OCCC[N@@H+]1CCC[C@@H]([NH2+]CCC[C@H]2CCO2)C1 ZINC000639220485 375644669 /nfs/dbraw/zinc/64/46/69/375644669.db2.gz ZERJLDOZYDUWNQ-KGLIPLIRSA-N 2 2 256.390 0.992 20 0 CCADLP OCCC[N@H+]1CCC[C@@H]([NH2+]CCC[C@H]2CCO2)C1 ZINC000639220485 375644672 /nfs/dbraw/zinc/64/46/72/375644672.db2.gz ZERJLDOZYDUWNQ-KGLIPLIRSA-N 2 2 256.390 0.992 20 0 CCADLP OCCC[N@@H+]1CCC[C@H]([NH2+]CCC[C@H]2CCO2)C1 ZINC000639220484 375644787 /nfs/dbraw/zinc/64/47/87/375644787.db2.gz ZERJLDOZYDUWNQ-KBPBESRZSA-N 2 2 256.390 0.992 20 0 CCADLP OCCC[N@H+]1CCC[C@H]([NH2+]CCC[C@H]2CCO2)C1 ZINC000639220484 375644789 /nfs/dbraw/zinc/64/47/89/375644789.db2.gz ZERJLDOZYDUWNQ-KBPBESRZSA-N 2 2 256.390 0.992 20 0 CCADLP CCN(CC)C(=O)[C@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261719423 284536466 /nfs/dbraw/zinc/53/64/66/284536466.db2.gz KBELXUOTRLVBKP-KBPBESRZSA-N 2 2 282.432 0.223 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCOC2(CCOCC2)C1 ZINC000639520216 375820669 /nfs/dbraw/zinc/82/06/69/375820669.db2.gz PBGBNKYRPRIGTM-UHFFFAOYSA-N 2 2 265.357 0.844 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCOC2(CCOCC2)C1 ZINC000639520216 375820672 /nfs/dbraw/zinc/82/06/72/375820672.db2.gz PBGBNKYRPRIGTM-UHFFFAOYSA-N 2 2 265.357 0.844 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H](OCCO)C1 ZINC000639491095 375806603 /nfs/dbraw/zinc/80/66/03/375806603.db2.gz XSRHYKPLKWEEEJ-ZDUSSCGKSA-N 2 2 253.346 0.436 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H](OCCO)C1 ZINC000639491095 375806612 /nfs/dbraw/zinc/80/66/12/375806612.db2.gz XSRHYKPLKWEEEJ-ZDUSSCGKSA-N 2 2 253.346 0.436 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCCC[C@@H]21 ZINC000656701054 412843115 /nfs/dbraw/zinc/84/31/15/412843115.db2.gz BFXUGMRSFCDEMN-IHRRRGAJSA-N 2 2 256.390 0.800 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCCC[C@@H]21 ZINC000656701054 412843118 /nfs/dbraw/zinc/84/31/18/412843118.db2.gz BFXUGMRSFCDEMN-IHRRRGAJSA-N 2 2 256.390 0.800 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000656701054 412843120 /nfs/dbraw/zinc/84/31/20/412843120.db2.gz BFXUGMRSFCDEMN-IHRRRGAJSA-N 2 2 256.390 0.800 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000656701054 412843123 /nfs/dbraw/zinc/84/31/23/412843123.db2.gz BFXUGMRSFCDEMN-IHRRRGAJSA-N 2 2 256.390 0.800 20 0 CCADLP CCN1CCC[N@H+](CCc2c[nH+]cn2C)CC1=O ZINC000639605111 375856428 /nfs/dbraw/zinc/85/64/28/375856428.db2.gz CGMNDLVPQJNWJF-UHFFFAOYSA-N 2 2 250.346 0.517 20 0 CCADLP CCN1CCC[N@@H+](CCc2c[nH+]cn2C)CC1=O ZINC000639605111 375856434 /nfs/dbraw/zinc/85/64/34/375856434.db2.gz CGMNDLVPQJNWJF-UHFFFAOYSA-N 2 2 250.346 0.517 20 0 CCADLP C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764599 375993937 /nfs/dbraw/zinc/99/39/37/375993937.db2.gz HKWNTXVAXXNFTA-XJKSGUPXSA-N 2 2 297.443 0.822 20 0 CCADLP C[C@@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764599 375993943 /nfs/dbraw/zinc/99/39/43/375993943.db2.gz HKWNTXVAXXNFTA-XJKSGUPXSA-N 2 2 297.443 0.822 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000639767214 375997473 /nfs/dbraw/zinc/99/74/73/375997473.db2.gz QGMNWZINNUCBNC-GHMZBOCLSA-N 2 2 284.322 0.688 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000639767214 375997481 /nfs/dbraw/zinc/99/74/81/375997481.db2.gz QGMNWZINNUCBNC-GHMZBOCLSA-N 2 2 284.322 0.688 20 0 CCADLP C[C@H]1C[N@H+](CCN2CCC[C@@](O)(C[NH+](C)C)C2)CCO1 ZINC000639769321 375999113 /nfs/dbraw/zinc/99/91/13/375999113.db2.gz XUCMUZFJCLGHQR-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H]1C[N@@H+](CCN2CCC[C@@](O)(C[NH+](C)C)C2)CCO1 ZINC000639769321 375999118 /nfs/dbraw/zinc/99/91/18/375999118.db2.gz XUCMUZFJCLGHQR-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H]1CN(CC[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)CCO1 ZINC000639769321 375999120 /nfs/dbraw/zinc/99/91/20/375999120.db2.gz XUCMUZFJCLGHQR-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H]1CN(CC[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)CCO1 ZINC000639769321 375999126 /nfs/dbraw/zinc/99/91/26/375999126.db2.gz XUCMUZFJCLGHQR-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP CO[C@H]1C[N@H+](CCCN2CC[NH+](C(C)C)CC2)CCO1 ZINC000639840159 376048497 /nfs/dbraw/zinc/04/84/97/376048497.db2.gz WGSRAFVRTHDJFQ-OAHLLOKOSA-N 2 2 285.432 0.707 20 0 CCADLP CO[C@H]1C[N@@H+](CCCN2CC[NH+](C(C)C)CC2)CCO1 ZINC000639840159 376048504 /nfs/dbraw/zinc/04/85/04/376048504.db2.gz WGSRAFVRTHDJFQ-OAHLLOKOSA-N 2 2 285.432 0.707 20 0 CCADLP COc1cccc(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)n1 ZINC000639761286 375985229 /nfs/dbraw/zinc/98/52/29/375985229.db2.gz LXDZIEPLZQZWRS-HNNXBMFYSA-N 2 2 279.384 0.979 20 0 CCADLP COc1cccc(C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)n1 ZINC000639761286 375985237 /nfs/dbraw/zinc/98/52/37/375985237.db2.gz LXDZIEPLZQZWRS-HNNXBMFYSA-N 2 2 279.384 0.979 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000639761516 375985355 /nfs/dbraw/zinc/98/53/55/375985355.db2.gz CCRJSWSJAFOHKU-XHSDSOJGSA-N 2 2 297.443 0.238 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000639761516 375985362 /nfs/dbraw/zinc/98/53/62/375985362.db2.gz CCRJSWSJAFOHKU-XHSDSOJGSA-N 2 2 297.443 0.238 20 0 CCADLP C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639763016 375989825 /nfs/dbraw/zinc/98/98/25/375989825.db2.gz BTPHBKGZJHGSOC-GDBMZVCRSA-N 2 2 297.443 0.776 20 0 CCADLP C[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639763016 375989831 /nfs/dbraw/zinc/98/98/31/375989831.db2.gz BTPHBKGZJHGSOC-GDBMZVCRSA-N 2 2 297.443 0.776 20 0 CCADLP CC[C@H](C[N@H+](C)CC(=O)N1CC[NH+](C)CC1)OC ZINC000640051560 376216337 /nfs/dbraw/zinc/21/63/37/376216337.db2.gz QPXHBCPIADODJL-GFCCVEGCSA-N 2 2 257.378 0.117 20 0 CCADLP CC[C@H](C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1)OC ZINC000640051560 376216345 /nfs/dbraw/zinc/21/63/45/376216345.db2.gz QPXHBCPIADODJL-GFCCVEGCSA-N 2 2 257.378 0.117 20 0 CCADLP Cc1nc(CC[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)cs1 ZINC000640051695 376218506 /nfs/dbraw/zinc/21/85/06/376218506.db2.gz WKCBHHCEESRSDH-UHFFFAOYSA-N 2 2 296.440 0.700 20 0 CCADLP Cc1nc(CC[N@H+](C)CC(=O)N2CC[NH+](C)CC2)cs1 ZINC000640051695 376218512 /nfs/dbraw/zinc/21/85/12/376218512.db2.gz WKCBHHCEESRSDH-UHFFFAOYSA-N 2 2 296.440 0.700 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C)(F)CC1 ZINC000640071698 376225901 /nfs/dbraw/zinc/22/59/01/376225901.db2.gz RBVOQWFQOMIIMG-GFCCVEGCSA-N 2 2 262.369 0.750 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C)(F)CC1 ZINC000640071698 376225905 /nfs/dbraw/zinc/22/59/05/376225905.db2.gz RBVOQWFQOMIIMG-GFCCVEGCSA-N 2 2 262.369 0.750 20 0 CCADLP O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000640320030 376308490 /nfs/dbraw/zinc/30/84/90/376308490.db2.gz JJRDSWGMQGBMHR-QWHCGFSZSA-N 2 2 292.383 0.018 20 0 CCADLP CC[N@H+]1[C@H](C)CN(C(=O)[C@@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000640614130 376462930 /nfs/dbraw/zinc/46/29/30/376462930.db2.gz MARFGBFMGVCYOR-XQQFMLRXSA-N 2 2 269.389 0.258 20 0 CCADLP CC[N@@H+]1[C@H](C)CN(C(=O)[C@@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000640614130 376462938 /nfs/dbraw/zinc/46/29/38/376462938.db2.gz MARFGBFMGVCYOR-XQQFMLRXSA-N 2 2 269.389 0.258 20 0 CCADLP CC[NH+]1[C@H](C)CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000640614130 376462946 /nfs/dbraw/zinc/46/29/46/376462946.db2.gz MARFGBFMGVCYOR-XQQFMLRXSA-N 2 2 269.389 0.258 20 0 CCADLP CC[NH+]1[C@H](C)CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000640614130 376462958 /nfs/dbraw/zinc/46/29/58/376462958.db2.gz MARFGBFMGVCYOR-XQQFMLRXSA-N 2 2 269.389 0.258 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000063757707 284577307 /nfs/dbraw/zinc/57/73/07/284577307.db2.gz YQQPWVPAFYIPSS-LBPRGKRZSA-N 2 2 257.378 0.165 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000189744149 299477269 /nfs/dbraw/zinc/47/72/69/299477269.db2.gz MSAAQOWFDFZDGS-GJZGRUSLSA-N 2 2 297.443 0.776 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)[NH+]1CC(C)C1 ZINC000574649101 335037061 /nfs/dbraw/zinc/03/70/61/335037061.db2.gz VBQIUTQAMAIVTK-KBPBESRZSA-N 2 2 297.443 0.630 20 0 CCADLP Cc1[nH+]cccc1Cn1cc(CCN2CC[NH2+]CC2)nn1 ZINC000641052577 376719260 /nfs/dbraw/zinc/71/92/60/376719260.db2.gz SVMIEVLKLRSDIR-UHFFFAOYSA-N 2 2 286.383 0.478 20 0 CCADLP c1c(C[C@H]2CCC[NH2+]C2)nnn1CC[NH+]1CCOCC1 ZINC000641032078 376689904 /nfs/dbraw/zinc/68/99/04/376689904.db2.gz APKPQBWHUPLBRE-CYBMUJFWSA-N 2 2 279.388 0.152 20 0 CCADLP Cc1ccc(Cn2cc(CC[C@@H](O)C[NH3+])nn2)c(C)[nH+]1 ZINC000641097161 376777731 /nfs/dbraw/zinc/77/77/31/376777731.db2.gz XUCRDOWZSHNSAJ-CQSZACIVSA-N 2 2 275.356 0.590 20 0 CCADLP O=S(=O)(CCn1cc[nH+]c1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000641278269 376960670 /nfs/dbraw/zinc/96/06/70/376960670.db2.gz FATNFDLYCLSAJR-STQMWFEESA-N 2 2 298.412 0.429 20 0 CCADLP C[NH+](C)C1(CNS(=O)(=O)CCn2cc[nH+]c2)CCC1 ZINC000641447506 377128606 /nfs/dbraw/zinc/12/86/06/377128606.db2.gz VAZJJVZJOVLWGE-UHFFFAOYSA-N 2 2 286.401 0.287 20 0 CCADLP Cn1ncnc1C[NH2+]CC1CC[NH+](CC(F)F)CC1 ZINC000641774443 377457710 /nfs/dbraw/zinc/45/77/10/377457710.db2.gz FHXNZPDRCYVDDH-UHFFFAOYSA-N 2 2 273.331 0.882 20 0 CCADLP c1c[nH]c(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)n1 ZINC000641789748 377463366 /nfs/dbraw/zinc/46/33/66/377463366.db2.gz SOIRWYUKRHKZAC-AWEZNQCLSA-N 2 2 293.415 0.296 20 0 CCADLP Cc1cc(NC(=O)C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)on1 ZINC000641808388 377480812 /nfs/dbraw/zinc/48/08/12/377480812.db2.gz USEVACXXMNKODQ-IUCAKERBSA-N 2 2 252.318 0.637 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1nnnn1-c1ccccc1 ZINC000641809295 377481812 /nfs/dbraw/zinc/48/18/12/377481812.db2.gz VXUAPDPSQLEXNT-NEPJUHHUSA-N 2 2 272.356 0.878 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1nnnn1-c1ccccc1 ZINC000641809298 377482807 /nfs/dbraw/zinc/48/28/07/377482807.db2.gz VXUAPDPSQLEXNT-VXGBXAGGSA-N 2 2 272.356 0.878 20 0 CCADLP Cc1[nH+]ccn1CCCN(C)C(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000423856191 249014554 /nfs/dbraw/zinc/01/45/54/249014554.db2.gz ZBIMWBIWYRRDNN-YPMHNXCESA-N 2 2 280.372 0.417 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CC2CCOCC2)C[C@@H](C)O1 ZINC000514669190 249096944 /nfs/dbraw/zinc/09/69/44/249096944.db2.gz VTIYGCBISYWROL-NFAWXSAZSA-N 2 2 286.416 0.473 20 0 CCADLP Cc1nc(CN2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)no1 ZINC000515300206 249126445 /nfs/dbraw/zinc/12/64/45/249126445.db2.gz JMKXWLAUDPJDDI-AWEZNQCLSA-N 2 2 279.388 0.495 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)NCCn1cc[nH+]c1 ZINC000514925066 249111697 /nfs/dbraw/zinc/11/16/97/249111697.db2.gz CMRYNHNFEIDNNO-UHFFFAOYSA-N 2 2 253.350 0.570 20 0 CCADLP C[C@H](CC(=O)NC[C@]1(O)CC[N@H+](C)C1)n1cc[nH+]c1 ZINC000516574953 249171504 /nfs/dbraw/zinc/17/15/04/249171504.db2.gz WPVMYQRINRZMPX-DGCLKSJQSA-N 2 2 266.345 0.017 20 0 CCADLP C[C@H](CC(=O)NC[C@]1(O)CC[N@@H+](C)C1)n1cc[nH+]c1 ZINC000516574953 249171508 /nfs/dbraw/zinc/17/15/08/249171508.db2.gz WPVMYQRINRZMPX-DGCLKSJQSA-N 2 2 266.345 0.017 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(n2ccnc2)CC1 ZINC000517274065 249213862 /nfs/dbraw/zinc/21/38/62/249213862.db2.gz MDCDRGXLRYNQSO-CQSZACIVSA-N 2 2 266.389 0.833 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(n2ccnc2)CC1 ZINC000517274065 249213865 /nfs/dbraw/zinc/21/38/65/249213865.db2.gz MDCDRGXLRYNQSO-CQSZACIVSA-N 3 2 266.389 0.833 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000517274065 249213868 /nfs/dbraw/zinc/21/38/68/249213868.db2.gz MDCDRGXLRYNQSO-CQSZACIVSA-N 3 2 266.389 0.833 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000517274065 249213871 /nfs/dbraw/zinc/21/38/71/249213871.db2.gz MDCDRGXLRYNQSO-CQSZACIVSA-N 3 2 266.389 0.833 20 0 CCADLP C[N@@H+]1CCc2ncnc(NCC[C@@H]3CCC[NH2+]C3)c2C1 ZINC000643007206 377688407 /nfs/dbraw/zinc/68/84/07/377688407.db2.gz MUXFYEGZJNJNTB-LBPRGKRZSA-N 2 2 275.400 0.688 20 0 CCADLP C[N@H+]1CCc2ncnc(NCC[C@@H]3CCC[NH2+]C3)c2C1 ZINC000643007206 377688410 /nfs/dbraw/zinc/68/84/10/377688410.db2.gz MUXFYEGZJNJNTB-LBPRGKRZSA-N 2 2 275.400 0.688 20 0 CCADLP CN1CC[NH2+]C[C@H]1CNc1cc(N2CCCC2)[nH+]cn1 ZINC000643048656 377707610 /nfs/dbraw/zinc/70/76/10/377707610.db2.gz VXDGYDKAMMZQTJ-LBPRGKRZSA-N 2 2 276.388 0.392 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000279006414 194248629 /nfs/dbraw/zinc/24/86/29/194248629.db2.gz MVLICTJNRHDMSN-QWRGUYRKSA-N 2 2 288.355 0.502 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCOC(C)(C)C2)[C@H](C[NH3+])C1 ZINC000574742067 335043714 /nfs/dbraw/zinc/04/37/14/335043714.db2.gz PIGZUKVUSBVSCI-VXGBXAGGSA-N 2 2 284.404 0.228 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCOC(C)(C)C2)[C@H](C[NH3+])C1 ZINC000574742067 335043715 /nfs/dbraw/zinc/04/37/15/335043715.db2.gz PIGZUKVUSBVSCI-VXGBXAGGSA-N 2 2 284.404 0.228 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000279249890 194352169 /nfs/dbraw/zinc/35/21/69/194352169.db2.gz STMKVAHNXVIBGA-UHFFFAOYSA-N 2 2 294.399 0.912 20 0 CCADLP C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)[C@H](C)[NH+]1CCOCC1 ZINC000279351359 194397461 /nfs/dbraw/zinc/39/74/61/194397461.db2.gz FHGDSZJCVKSWBJ-NEPJUHHUSA-N 2 2 280.372 0.568 20 0 CCADLP C[C@@H](CN1CCOCC1)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657309764 412956586 /nfs/dbraw/zinc/95/65/86/412956586.db2.gz GQOXJYDOWZZNPI-LBPRGKRZSA-N 2 2 264.373 0.640 20 0 CCADLP O=C(NC1CC[NH2+]CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000334938461 207323249 /nfs/dbraw/zinc/32/32/49/207323249.db2.gz RHZFALWSCZITEY-UHFFFAOYSA-N 2 2 292.383 0.859 20 0 CCADLP C[C@@H](CN1CCCC1=O)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657316231 412958385 /nfs/dbraw/zinc/95/83/85/412958385.db2.gz CKHIMCUEPJIQBA-NSHDSACASA-N 2 2 262.357 0.930 20 0 CCADLP C[C@@H](C[NH2+]Cc1c[nH+]c2n1CCC2)N1CC[NH+](C)CC1 ZINC000657349611 412964000 /nfs/dbraw/zinc/96/40/00/412964000.db2.gz SNLZENPKZXEOLH-ZDUSSCGKSA-N 3 2 277.416 0.555 20 0 CCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCC2=CC[NH2+]CC2)C1 ZINC000423544568 532980594 /nfs/dbraw/zinc/98/05/94/532980594.db2.gz XAPRTZPVDHPVRU-CQSZACIVSA-N 3 2 253.390 0.607 20 0 CCADLP COCC[N@H+]1CC[C@@H]([NH2+]CCC2=CC[NH2+]CC2)C1 ZINC000423544568 532980598 /nfs/dbraw/zinc/98/05/98/532980598.db2.gz XAPRTZPVDHPVRU-CQSZACIVSA-N 3 2 253.390 0.607 20 0 CCADLP C[C@@H]1C[C@H]1N1C[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)CC1=O ZINC000657380185 412978536 /nfs/dbraw/zinc/97/85/36/412978536.db2.gz GYTGBOKZHFZZCT-NQBHXWOUSA-N 2 2 274.368 0.928 20 0 CCADLP Cc1cc(CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])cc(C)[nH+]1 ZINC000572002066 291851683 /nfs/dbraw/zinc/85/16/83/291851683.db2.gz ZZGHMRUKSNYGAQ-VHSXEESVSA-N 2 2 292.383 0.557 20 0 CCADLP CC[N@H+](C[C@]1(C)CC[NH2+]C1)[C@H](C)CS(C)(=O)=O ZINC000261890512 285091843 /nfs/dbraw/zinc/09/18/43/285091843.db2.gz SZJCTKVNQJXKPM-VXGBXAGGSA-N 2 2 262.419 0.741 20 0 CCADLP CC[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@H](C)CS(C)(=O)=O ZINC000261890512 285091844 /nfs/dbraw/zinc/09/18/44/285091844.db2.gz SZJCTKVNQJXKPM-VXGBXAGGSA-N 2 2 262.419 0.741 20 0 CCADLP COc1ccnc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)n1 ZINC000424385158 533058179 /nfs/dbraw/zinc/05/81/79/533058179.db2.gz WAMCOGBHTZAXFZ-QWRGUYRKSA-N 2 2 250.346 0.963 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000418224131 533076860 /nfs/dbraw/zinc/07/68/60/533076860.db2.gz ZJPNFYZIKSYTHT-MNOVXSKESA-N 2 2 278.356 0.982 20 0 CCADLP O=C(NCC[NH2+]Cc1c[nH+]c2n1CCC2)c1ccn[nH]1 ZINC000657431362 412990080 /nfs/dbraw/zinc/99/00/80/412990080.db2.gz VVKWQVAWKLLFSE-UHFFFAOYSA-N 2 2 274.328 0.072 20 0 CCADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1CC[NH+]1CCOC[C@H]1C ZINC000249617643 285134529 /nfs/dbraw/zinc/13/45/29/285134529.db2.gz TWPSUKFFIAAPLY-HUUCEWRRSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1CC[NH+]1CCOC[C@H]1C ZINC000249617643 285134531 /nfs/dbraw/zinc/13/45/31/285134531.db2.gz TWPSUKFFIAAPLY-HUUCEWRRSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1C[NH+](CC(C)(C)O)CCN1CC[N@@H+]1CCOC[C@H]1C ZINC000249617643 285134532 /nfs/dbraw/zinc/13/45/32/285134532.db2.gz TWPSUKFFIAAPLY-HUUCEWRRSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1C[NH+](CC(C)(C)O)CCN1CC[N@H+]1CCOC[C@H]1C ZINC000249617643 285134534 /nfs/dbraw/zinc/13/45/34/285134534.db2.gz TWPSUKFFIAAPLY-HUUCEWRRSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2CCOC[C@H]2C)CC[NH+]1CC(C)(C)O ZINC000249634425 285135719 /nfs/dbraw/zinc/13/57/19/285135719.db2.gz WDKHVYUUZBFEIB-HUUCEWRRSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2CCOC[C@H]2C)CC[NH+]1CC(C)(C)O ZINC000249634425 285135721 /nfs/dbraw/zinc/13/57/21/285135721.db2.gz WDKHVYUUZBFEIB-HUUCEWRRSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000249634425 285135722 /nfs/dbraw/zinc/13/57/22/285135722.db2.gz WDKHVYUUZBFEIB-HUUCEWRRSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000249634425 285135724 /nfs/dbraw/zinc/13/57/24/285135724.db2.gz WDKHVYUUZBFEIB-HUUCEWRRSA-N 2 2 299.459 0.484 20 0 CCADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1ccc(F)c(F)c1 ZINC000258946709 285153515 /nfs/dbraw/zinc/15/35/15/285153515.db2.gz QGYXBAMZCKIRFY-NSHDSACASA-N 2 2 255.312 0.958 20 0 CCADLP C[NH+](C)C1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC000572652052 291894680 /nfs/dbraw/zinc/89/46/80/291894680.db2.gz GATCYJWSRLROFH-UHFFFAOYSA-N 2 2 250.346 0.872 20 0 CCADLP CCN1C[C@H](C[NH2+]Cc2c[nH+]c3n2CCC3)CC1=O ZINC000657502413 413011828 /nfs/dbraw/zinc/01/18/28/413011828.db2.gz KYTJNRXYORYSER-NSHDSACASA-N 2 2 262.357 0.787 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2nc(C)no2)C1 ZINC000574867948 335053313 /nfs/dbraw/zinc/05/33/13/335053313.db2.gz IWHNCDBLSXYUDW-STQMWFEESA-N 2 2 282.388 0.870 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2nc(C)no2)C1 ZINC000574867948 335053314 /nfs/dbraw/zinc/05/33/14/335053314.db2.gz IWHNCDBLSXYUDW-STQMWFEESA-N 2 2 282.388 0.870 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000574867948 335053315 /nfs/dbraw/zinc/05/33/15/335053315.db2.gz IWHNCDBLSXYUDW-STQMWFEESA-N 2 2 282.388 0.870 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000574867948 335053317 /nfs/dbraw/zinc/05/33/17/335053317.db2.gz IWHNCDBLSXYUDW-STQMWFEESA-N 2 2 282.388 0.870 20 0 CCADLP COC[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)C1CCOCC1 ZINC000446821217 285238312 /nfs/dbraw/zinc/23/83/12/285238312.db2.gz MMFINSJMNLYNAV-LSDHHAIUSA-N 2 2 285.432 0.263 20 0 CCADLP COC[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)C1CCOCC1 ZINC000446821217 285238314 /nfs/dbraw/zinc/23/83/14/285238314.db2.gz MMFINSJMNLYNAV-LSDHHAIUSA-N 2 2 285.432 0.263 20 0 CCADLP CO[C@@H](C[NH2+]Cc1c[nH+]c2n1CCC2)[C@@H]1CCOC1 ZINC000657542374 413021698 /nfs/dbraw/zinc/02/16/98/413021698.db2.gz XXOFLBTXAZQVRH-YPMHNXCESA-N 2 2 265.357 0.970 20 0 CCADLP CC[N@@H+]1CCC[C@H](NC[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000516175853 285268477 /nfs/dbraw/zinc/26/84/77/285268477.db2.gz WCWUPYGPBRHDRR-WCVJEAGWSA-N 2 2 299.459 0.530 20 0 CCADLP CC[N@H+]1CCC[C@H](NC[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000516175853 285268478 /nfs/dbraw/zinc/26/84/78/285268478.db2.gz WCWUPYGPBRHDRR-WCVJEAGWSA-N 2 2 299.459 0.530 20 0 CCADLP C[C@H]1C[N@H+](CCO)CCN1CCCc1c[nH+]cn1C ZINC000520834536 285276196 /nfs/dbraw/zinc/27/61/96/285276196.db2.gz FXMJBJTVULCWRW-ZDUSSCGKSA-N 2 2 266.389 0.351 20 0 CCADLP C[C@H]1C[N@@H+](CCO)CCN1CCCc1c[nH+]cn1C ZINC000520834536 285276198 /nfs/dbraw/zinc/27/61/98/285276198.db2.gz FXMJBJTVULCWRW-ZDUSSCGKSA-N 2 2 266.389 0.351 20 0 CCADLP C[C@H]1CN(CCO)CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000520834536 285276200 /nfs/dbraw/zinc/27/62/00/285276200.db2.gz FXMJBJTVULCWRW-ZDUSSCGKSA-N 2 2 266.389 0.351 20 0 CCADLP C[C@H]1CN(CCO)CC[N@H+]1CCCc1c[nH+]cn1C ZINC000520834536 285276202 /nfs/dbraw/zinc/27/62/02/285276202.db2.gz FXMJBJTVULCWRW-ZDUSSCGKSA-N 2 2 266.389 0.351 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000521640556 285283448 /nfs/dbraw/zinc/28/34/48/285283448.db2.gz YEPCZMDWPUVYTA-APIJFGDWSA-N 2 2 295.427 0.968 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000521640556 285283449 /nfs/dbraw/zinc/28/34/49/285283449.db2.gz YEPCZMDWPUVYTA-APIJFGDWSA-N 2 2 295.427 0.968 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[N@@H+]1CC(C)(C)O ZINC000283233808 388764144 /nfs/dbraw/zinc/76/41/44/388764144.db2.gz BOBZSFUFOKSSSE-GFCCVEGCSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[N@H+]1CC(C)(C)O ZINC000283233808 388764147 /nfs/dbraw/zinc/76/41/47/388764147.db2.gz BOBZSFUFOKSSSE-GFCCVEGCSA-N 2 2 294.399 0.646 20 0 CCADLP Cc1csc2nc(C[NH+]3CCC([NH3+])CC3)cc(=O)n12 ZINC000036754822 388843470 /nfs/dbraw/zinc/84/34/70/388843470.db2.gz MQHCKDWFDHJYFQ-UHFFFAOYSA-N 2 2 278.381 0.988 20 0 CCADLP Cc1ncc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)s1 ZINC000040998051 388859561 /nfs/dbraw/zinc/85/95/61/388859561.db2.gz PUNGTPAGXIWIKR-LLVKDONJSA-N 2 2 255.387 0.998 20 0 CCADLP Cc1ncsc1C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000289553085 388871496 /nfs/dbraw/zinc/87/14/96/388871496.db2.gz DMROCKBPORAYSQ-UHFFFAOYSA-N 2 2 282.413 0.657 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(C(N)=O)co2)CC[N@@H+]1C ZINC000187706931 388893090 /nfs/dbraw/zinc/89/30/90/388893090.db2.gz WBWBYRODWQGNRB-MWLCHTKSSA-N 2 2 251.330 0.951 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(C(N)=O)co2)CC[N@H+]1C ZINC000187706931 388893094 /nfs/dbraw/zinc/89/30/94/388893094.db2.gz WBWBYRODWQGNRB-MWLCHTKSSA-N 2 2 251.330 0.951 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[N@H+](C)C1CCCC1 ZINC000188424119 388928164 /nfs/dbraw/zinc/92/81/64/388928164.db2.gz HFTMRRNOHGMWGS-UHFFFAOYSA-N 2 2 264.373 0.953 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000188424119 388928169 /nfs/dbraw/zinc/92/81/69/388928169.db2.gz HFTMRRNOHGMWGS-UHFFFAOYSA-N 2 2 264.373 0.953 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CC2(CO)CC2)CC1 ZINC000190037422 388981830 /nfs/dbraw/zinc/98/18/30/388981830.db2.gz YKKFFWAXJYQIHE-ZDUSSCGKSA-N 2 2 283.416 0.243 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CC2(CO)CC2)CC1 ZINC000190037422 388981831 /nfs/dbraw/zinc/98/18/31/388981831.db2.gz YKKFFWAXJYQIHE-ZDUSSCGKSA-N 2 2 283.416 0.243 20 0 CCADLP CC(C)C[NH+]1CCN(CC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000191377388 389010810 /nfs/dbraw/zinc/01/08/10/389010810.db2.gz RIUJJVRCLZDQAS-HNNXBMFYSA-N 2 2 269.433 0.981 20 0 CCADLP CC(C)C[NH+]1CCN(CC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000191377388 389010812 /nfs/dbraw/zinc/01/08/12/389010812.db2.gz RIUJJVRCLZDQAS-HNNXBMFYSA-N 2 2 269.433 0.981 20 0 CCADLP C[C@@H](O)CNc1cc(NC2CC[NH+](C)CC2)nc[nH+]1 ZINC000298391417 389016446 /nfs/dbraw/zinc/01/64/46/389016446.db2.gz VHXPGNQNNTUHQB-SNVBAGLBSA-N 2 2 265.361 0.775 20 0 CCADLP C[C@@H](O)CNc1cc(NC2CC[NH+](C)CC2)[nH+]cn1 ZINC000298391417 389016451 /nfs/dbraw/zinc/01/64/51/389016451.db2.gz VHXPGNQNNTUHQB-SNVBAGLBSA-N 2 2 265.361 0.775 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)[C@H]1CCOC1 ZINC000354330941 389020876 /nfs/dbraw/zinc/02/08/76/389020876.db2.gz BRSOEHYDXLYCHA-AVGNSLFASA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)[C@H]1CCOC1 ZINC000354330941 389020880 /nfs/dbraw/zinc/02/08/80/389020880.db2.gz BRSOEHYDXLYCHA-AVGNSLFASA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)C1CCOCC1 ZINC000354331428 389021031 /nfs/dbraw/zinc/02/10/31/389021031.db2.gz QWBZCASLCOIOFN-OCCSQVGLSA-N 2 2 255.406 0.637 20 0 CCADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)C1CCOCC1 ZINC000354331428 389021033 /nfs/dbraw/zinc/02/10/33/389021033.db2.gz QWBZCASLCOIOFN-OCCSQVGLSA-N 2 2 255.406 0.637 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@](O)(C(F)(F)F)C1)C1CC1 ZINC000336811095 389022508 /nfs/dbraw/zinc/02/25/08/389022508.db2.gz LAVCTBXXKGQUNS-WDEREUQCSA-N 2 2 282.306 0.441 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@](O)(C(F)(F)F)C1)C1CC1 ZINC000336811095 389022511 /nfs/dbraw/zinc/02/25/11/389022511.db2.gz LAVCTBXXKGQUNS-WDEREUQCSA-N 2 2 282.306 0.441 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@](O)(C(F)(F)F)C1)C1CC1 ZINC000336811095 389022515 /nfs/dbraw/zinc/02/25/15/389022515.db2.gz LAVCTBXXKGQUNS-WDEREUQCSA-N 2 2 282.306 0.441 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@](O)(C(F)(F)F)C1)C1CC1 ZINC000336811095 389022517 /nfs/dbraw/zinc/02/25/17/389022517.db2.gz LAVCTBXXKGQUNS-WDEREUQCSA-N 2 2 282.306 0.441 20 0 CCADLP C[C@@H]1CN(CC[NH+]2CCOC[C@@H]2C)[C@@H](C)C[N@@H+]1C ZINC000337177942 389050524 /nfs/dbraw/zinc/05/05/24/389050524.db2.gz KAMNBSXODBEBJU-RDBSUJKOSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1CN(CC[NH+]2CCOC[C@@H]2C)[C@@H](C)C[N@H+]1C ZINC000337177942 389050527 /nfs/dbraw/zinc/05/05/27/389050527.db2.gz KAMNBSXODBEBJU-RDBSUJKOSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2CCOC[C@@H]2C)[C@@H](C)C[NH+]1C ZINC000337177942 389050529 /nfs/dbraw/zinc/05/05/29/389050529.db2.gz KAMNBSXODBEBJU-RDBSUJKOSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2CCOC[C@@H]2C)[C@@H](C)C[NH+]1C ZINC000337177942 389050533 /nfs/dbraw/zinc/05/05/33/389050533.db2.gz KAMNBSXODBEBJU-RDBSUJKOSA-N 2 2 255.406 0.732 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](CO)C2)CC1 ZINC000192800039 389052998 /nfs/dbraw/zinc/05/29/98/389052998.db2.gz XQNJYCPQSHSEQQ-KBPBESRZSA-N 2 2 283.416 0.243 20 0 CCADLP CN(C)CC[NH+]1CCC(Nc2cc[nH+]cc2C(N)=O)CC1 ZINC000302218564 389065607 /nfs/dbraw/zinc/06/56/07/389065607.db2.gz LBKKHNBOQZKIAQ-UHFFFAOYSA-N 2 2 291.399 0.618 20 0 CCADLP CN(CC[N@H+](C)C1CC1)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338224827 389093808 /nfs/dbraw/zinc/09/38/08/389093808.db2.gz MLMGOPTTYJRNMC-UHFFFAOYSA-N 2 2 283.416 0.650 20 0 CCADLP CN(CC[N@@H+](C)C1CC1)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338224827 389093810 /nfs/dbraw/zinc/09/38/10/389093810.db2.gz MLMGOPTTYJRNMC-UHFFFAOYSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000338164068 389082171 /nfs/dbraw/zinc/08/21/71/389082171.db2.gz CBEUFQMHTOJVQE-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)[C@@H](C)C1 ZINC000338199236 389089512 /nfs/dbraw/zinc/08/95/12/389089512.db2.gz TUUBXQDGBYKRAU-AVGNSLFASA-N 2 2 289.445 0.198 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)[C@@H](C)C1 ZINC000338199236 389089514 /nfs/dbraw/zinc/08/95/14/389089514.db2.gz TUUBXQDGBYKRAU-AVGNSLFASA-N 2 2 289.445 0.198 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCOCC2)CC[N@@H+]1C ZINC000338209860 389091015 /nfs/dbraw/zinc/09/10/15/389091015.db2.gz UMHPSMZSUGPUTF-AWEZNQCLSA-N 2 2 297.443 0.896 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCOCC2)CC[N@H+]1C ZINC000338209860 389091017 /nfs/dbraw/zinc/09/10/17/389091017.db2.gz UMHPSMZSUGPUTF-AWEZNQCLSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCN1CC[NH+](C2CCC2)CC1 ZINC000337131392 389045903 /nfs/dbraw/zinc/04/59/03/389045903.db2.gz AAJBXWVFIIWFRB-AWEZNQCLSA-N 2 2 267.417 0.877 20 0 CCADLP C[C@H]1COCC[N@H+]1CCN1CC[NH+](C2CCC2)CC1 ZINC000337131392 389045905 /nfs/dbraw/zinc/04/59/05/389045905.db2.gz AAJBXWVFIIWFRB-AWEZNQCLSA-N 2 2 267.417 0.877 20 0 CCADLP C[NH+](C)C1CC[NH+](C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000338249699 389097910 /nfs/dbraw/zinc/09/79/10/389097910.db2.gz KCHBRNDFWGOXPZ-LBPRGKRZSA-N 2 2 289.445 0.294 20 0 CCADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000338272710 389103208 /nfs/dbraw/zinc/10/32/08/389103208.db2.gz DIMDSSKTWVBEGX-ZDUSSCGKSA-N 2 2 291.461 0.732 20 0 CCADLP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000338272710 389103211 /nfs/dbraw/zinc/10/32/11/389103211.db2.gz DIMDSSKTWVBEGX-ZDUSSCGKSA-N 2 2 291.461 0.732 20 0 CCADLP C[C@H]1[C@H](C)[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCN1C ZINC000338287297 389106688 /nfs/dbraw/zinc/10/66/88/389106688.db2.gz ZVYLMBSQQPNOES-KBPBESRZSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@H]1[C@H](C)[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCN1C ZINC000338287297 389106690 /nfs/dbraw/zinc/10/66/90/389106690.db2.gz ZVYLMBSQQPNOES-KBPBESRZSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@H]1[C@H](C)[N@H+](C)CCN1CCC(=O)N1CC[NH+](C)CC1 ZINC000338287297 389106693 /nfs/dbraw/zinc/10/66/93/389106693.db2.gz ZVYLMBSQQPNOES-KBPBESRZSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1CCC(=O)N1CC[NH+](C)CC1 ZINC000338287297 389106695 /nfs/dbraw/zinc/10/66/95/389106695.db2.gz ZVYLMBSQQPNOES-KBPBESRZSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000338290016 389106785 /nfs/dbraw/zinc/10/67/85/389106785.db2.gz PWBGBANWVWDJGX-CHWSQXEVSA-N 2 2 286.420 0.347 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000112660452 389127858 /nfs/dbraw/zinc/12/78/58/389127858.db2.gz OCAFEOUIZRNETK-CHWSQXEVSA-N 2 2 298.431 0.883 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000112660452 389127860 /nfs/dbraw/zinc/12/78/60/389127860.db2.gz OCAFEOUIZRNETK-CHWSQXEVSA-N 2 2 298.431 0.883 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000112660452 389127864 /nfs/dbraw/zinc/12/78/64/389127864.db2.gz OCAFEOUIZRNETK-CHWSQXEVSA-N 2 2 298.431 0.883 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000112660452 389127865 /nfs/dbraw/zinc/12/78/65/389127865.db2.gz OCAFEOUIZRNETK-CHWSQXEVSA-N 2 2 298.431 0.883 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)CN1CC[NH+](C)CC1 ZINC000114379704 389130630 /nfs/dbraw/zinc/13/06/30/389130630.db2.gz PZLMCDRLBGXLCT-UONOGXRCSA-N 2 2 282.432 0.080 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843875 389137376 /nfs/dbraw/zinc/13/73/76/389137376.db2.gz LPRNLQNYRWEBOC-GHMZBOCLSA-N 2 2 270.377 0.104 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843875 389137380 /nfs/dbraw/zinc/13/73/80/389137380.db2.gz LPRNLQNYRWEBOC-GHMZBOCLSA-N 2 2 270.377 0.104 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843875 389137385 /nfs/dbraw/zinc/13/73/85/389137385.db2.gz LPRNLQNYRWEBOC-GHMZBOCLSA-N 2 2 270.377 0.104 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843875 389137386 /nfs/dbraw/zinc/13/73/86/389137386.db2.gz LPRNLQNYRWEBOC-GHMZBOCLSA-N 2 2 270.377 0.104 20 0 CCADLP COCC[NH2+]CC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000237205922 389184278 /nfs/dbraw/zinc/18/42/78/389184278.db2.gz LTJABXBJUSTUPJ-UHFFFAOYSA-N 2 2 296.758 0.840 20 0 CCADLP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1c[nH+]cn1C ZINC000360095921 389190794 /nfs/dbraw/zinc/19/07/94/389190794.db2.gz BIDFRWLDVGBJLM-WCQYABFASA-N 2 2 279.388 0.902 20 0 CCADLP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1c[nH+]cn1C ZINC000360095921 389190800 /nfs/dbraw/zinc/19/08/00/389190800.db2.gz BIDFRWLDVGBJLM-WCQYABFASA-N 2 2 279.388 0.902 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccnc(C[NH3+])c1 ZINC000130010710 389197261 /nfs/dbraw/zinc/19/72/61/389197261.db2.gz FOQKKMVFPYPDCZ-SNVBAGLBSA-N 2 2 259.313 0.555 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000359034561 389165267 /nfs/dbraw/zinc/16/52/67/389165267.db2.gz IJBXNVQGXYUJRP-NEPJUHHUSA-N 2 2 274.430 0.884 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000359034561 389165269 /nfs/dbraw/zinc/16/52/69/389165269.db2.gz IJBXNVQGXYUJRP-NEPJUHHUSA-N 2 2 274.430 0.884 20 0 CCADLP C[NH+](C)CCCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000364397855 389261518 /nfs/dbraw/zinc/26/15/18/389261518.db2.gz ASRXQRRBCWTDOR-AWEZNQCLSA-N 2 2 283.416 0.555 20 0 CCADLP C[NH+](C)CCCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000364397855 389261520 /nfs/dbraw/zinc/26/15/20/389261520.db2.gz ASRXQRRBCWTDOR-AWEZNQCLSA-N 2 2 283.416 0.555 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000245437029 389208509 /nfs/dbraw/zinc/20/85/09/389208509.db2.gz RGNDEFVKSBQRPF-CHWSQXEVSA-N 2 2 298.431 0.884 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000245437029 389208511 /nfs/dbraw/zinc/20/85/11/389208511.db2.gz RGNDEFVKSBQRPF-CHWSQXEVSA-N 2 2 298.431 0.884 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000245437029 389208514 /nfs/dbraw/zinc/20/85/14/389208514.db2.gz RGNDEFVKSBQRPF-CHWSQXEVSA-N 2 2 298.431 0.884 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000245437029 389208518 /nfs/dbraw/zinc/20/85/18/389208518.db2.gz RGNDEFVKSBQRPF-CHWSQXEVSA-N 2 2 298.431 0.884 20 0 CCADLP CCc1noc(C)c1C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000131299725 389212139 /nfs/dbraw/zinc/21/21/39/389212139.db2.gz KOBBDNBGZIVHIL-UHFFFAOYSA-N 2 2 294.399 0.751 20 0 CCADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)NC3CC3)CC[C@H]21 ZINC000247126448 389236890 /nfs/dbraw/zinc/23/68/90/389236890.db2.gz APWUVOGELQOPPD-WCQYABFASA-N 2 2 251.374 0.681 20 0 CCADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)NC3CC3)CC[C@H]21 ZINC000247126448 389236892 /nfs/dbraw/zinc/23/68/92/389236892.db2.gz APWUVOGELQOPPD-WCQYABFASA-N 2 2 251.374 0.681 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)NC3CC3)CC[C@H]21 ZINC000247126448 389236894 /nfs/dbraw/zinc/23/68/94/389236894.db2.gz APWUVOGELQOPPD-WCQYABFASA-N 2 2 251.374 0.681 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)NC3CC3)CC[C@H]21 ZINC000247126448 389236898 /nfs/dbraw/zinc/23/68/98/389236898.db2.gz APWUVOGELQOPPD-WCQYABFASA-N 2 2 251.374 0.681 20 0 CCADLP COCCC[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000367029023 389313772 /nfs/dbraw/zinc/31/37/72/389313772.db2.gz LABFKMIFUGGEEF-CABCVRRESA-N 2 2 269.433 0.981 20 0 CCADLP COCCC[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000367029023 389313777 /nfs/dbraw/zinc/31/37/77/389313777.db2.gz LABFKMIFUGGEEF-CABCVRRESA-N 2 2 269.433 0.981 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000264247155 389315736 /nfs/dbraw/zinc/31/57/36/389315736.db2.gz AWNKNRWYELVRFW-UHFFFAOYSA-N 2 2 263.345 0.410 20 0 CCADLP C[N@@H+]1CC[C@H](CNC(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000264330155 389321605 /nfs/dbraw/zinc/32/16/05/389321605.db2.gz ZYEHAIYOGXOQLX-GFCCVEGCSA-N 2 2 272.352 0.945 20 0 CCADLP C[N@H+]1CC[C@H](CNC(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000264330155 389321606 /nfs/dbraw/zinc/32/16/06/389321606.db2.gz ZYEHAIYOGXOQLX-GFCCVEGCSA-N 2 2 272.352 0.945 20 0 CCADLP COCC[N@@H+](CC(=O)N(C)C)C[C@@H]1CCC[NH2+]C1 ZINC000346847479 389339680 /nfs/dbraw/zinc/33/96/80/389339680.db2.gz PCAIFSOGBUEILY-GFCCVEGCSA-N 2 2 257.378 0.023 20 0 CCADLP COCC[N@H+](CC(=O)N(C)C)C[C@@H]1CCC[NH2+]C1 ZINC000346847479 389339683 /nfs/dbraw/zinc/33/96/83/389339683.db2.gz PCAIFSOGBUEILY-GFCCVEGCSA-N 2 2 257.378 0.023 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000139603099 389272681 /nfs/dbraw/zinc/27/26/81/389272681.db2.gz WJORYQYXKQOJOU-CYBMUJFWSA-N 2 2 270.336 0.955 20 0 CCADLP C[C@@]1(C[N@@H+]2CCC[C@H](S(C)(=O)=O)CC2)CC[NH2+]C1 ZINC000262084050 389281639 /nfs/dbraw/zinc/28/16/39/389281639.db2.gz UCISXEYVEWGKLK-QWHCGFSZSA-N 2 2 274.430 0.885 20 0 CCADLP C[C@@]1(C[N@H+]2CCC[C@H](S(C)(=O)=O)CC2)CC[NH2+]C1 ZINC000262084050 389281642 /nfs/dbraw/zinc/28/16/42/389281642.db2.gz UCISXEYVEWGKLK-QWHCGFSZSA-N 2 2 274.430 0.885 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262224089 389283037 /nfs/dbraw/zinc/28/30/37/389283037.db2.gz UUPKRXWRSPVGNY-STQMWFEESA-N 3 2 268.405 0.010 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262224089 389283039 /nfs/dbraw/zinc/28/30/39/389283039.db2.gz UUPKRXWRSPVGNY-STQMWFEESA-N 3 2 268.405 0.010 20 0 CCADLP CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CCC[N@H+](C)C1 ZINC000152983262 389294397 /nfs/dbraw/zinc/29/43/97/389294397.db2.gz DYMGLCKIQHUPHN-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CCC[N@@H+](C)C1 ZINC000152983262 389294402 /nfs/dbraw/zinc/29/44/02/389294402.db2.gz DYMGLCKIQHUPHN-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000331541648 389308105 /nfs/dbraw/zinc/30/81/05/389308105.db2.gz FCQHWXPPIBSZSQ-RISCZKNCSA-N 2 2 282.388 0.296 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000331541648 389308106 /nfs/dbraw/zinc/30/81/06/389308106.db2.gz FCQHWXPPIBSZSQ-RISCZKNCSA-N 2 2 282.388 0.296 20 0 CCADLP c1cn(CC[N@@H+]2CCC[C@H]2CN2CCOCC2)c[nH+]1 ZINC000162058297 389413182 /nfs/dbraw/zinc/41/31/82/389413182.db2.gz MVSBUSYJMZFWQG-AWEZNQCLSA-N 2 2 264.373 0.680 20 0 CCADLP c1cn(CC[N@H+]2CCC[C@H]2CN2CCOCC2)c[nH+]1 ZINC000162058297 389413188 /nfs/dbraw/zinc/41/31/88/389413188.db2.gz MVSBUSYJMZFWQG-AWEZNQCLSA-N 2 2 264.373 0.680 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1CNc1[nH+]cnc2[nH]ccc21 ZINC000264733699 389350560 /nfs/dbraw/zinc/35/05/60/389350560.db2.gz JKZMFGKOBDKLCQ-SNVBAGLBSA-N 2 2 260.345 0.616 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1CNc1[nH+]cnc2[nH]ccc21 ZINC000264733699 389350565 /nfs/dbraw/zinc/35/05/65/389350565.db2.gz JKZMFGKOBDKLCQ-SNVBAGLBSA-N 2 2 260.345 0.616 20 0 CCADLP CC(C)(C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)N1CCOCC1 ZINC000422752048 389468136 /nfs/dbraw/zinc/46/81/36/389468136.db2.gz GQTFYHTZNHYDQC-CABCVRRESA-N 2 2 297.443 0.454 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000422750470 389468185 /nfs/dbraw/zinc/46/81/85/389468185.db2.gz AZGVTYZNXDERJZ-ZQDZILKHSA-N 2 2 297.443 0.990 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000422750470 389468187 /nfs/dbraw/zinc/46/81/87/389468187.db2.gz AZGVTYZNXDERJZ-ZQDZILKHSA-N 2 2 297.443 0.990 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCC[NH+](C(C)C)C(C)C ZINC000422761673 389469349 /nfs/dbraw/zinc/46/93/49/389469349.db2.gz RKRPPWPSXVOJTQ-UONOGXRCSA-N 2 2 285.432 0.988 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C[C@H](C)[NH2+]1 ZINC000422822127 389483010 /nfs/dbraw/zinc/48/30/10/389483010.db2.gz ZYPVJWMNHJETMS-GUTXKFCHSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C[C@H](C)[NH2+]1 ZINC000422822127 389483012 /nfs/dbraw/zinc/48/30/12/389483012.db2.gz ZYPVJWMNHJETMS-GUTXKFCHSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)CCc1c[nH+]cn1C ZINC000334402823 389486284 /nfs/dbraw/zinc/48/62/84/389486284.db2.gz OLHDYDIOIDSENZ-VXGBXAGGSA-N 2 2 264.373 0.904 20 0 CCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)CCc1c[nH+]cn1C ZINC000334402823 389486287 /nfs/dbraw/zinc/48/62/87/389486287.db2.gz OLHDYDIOIDSENZ-VXGBXAGGSA-N 2 2 264.373 0.904 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC[NH2+]1 ZINC000422840636 389488614 /nfs/dbraw/zinc/48/86/14/389488614.db2.gz UGNAFDHDUFSHQK-OCCSQVGLSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC[NH2+]1 ZINC000422840636 389488616 /nfs/dbraw/zinc/48/86/16/389488616.db2.gz UGNAFDHDUFSHQK-OCCSQVGLSA-N 2 2 281.400 0.450 20 0 CCADLP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422848263 389490454 /nfs/dbraw/zinc/49/04/54/389490454.db2.gz AQXXFEHVLAEAEX-MGPQQGTHSA-N 3 2 257.422 0.931 20 0 CCADLP CN(C(=O)C1CC(=O)C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371538744 389434641 /nfs/dbraw/zinc/43/46/41/389434641.db2.gz MIKRQRHFZRPCJU-CQSZACIVSA-N 2 2 293.411 0.592 20 0 CCADLP CN(C(=O)C1CC(=O)C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371538744 389434644 /nfs/dbraw/zinc/43/46/44/389434644.db2.gz MIKRQRHFZRPCJU-CQSZACIVSA-N 2 2 293.411 0.592 20 0 CCADLP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000333890638 389448684 /nfs/dbraw/zinc/44/86/84/389448684.db2.gz YDHRMEQXGBIYKS-AAEUAGOBSA-N 2 2 277.372 0.926 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCN(C)CC(F)(F)F ZINC000422701404 389454273 /nfs/dbraw/zinc/45/42/73/389454273.db2.gz BUTXQQTXIRGTER-MNOVXSKESA-N 2 2 283.338 0.837 20 0 CCADLP O=C([C@H]1COCC[N@@H+]1CC1CCC1)N1CCC[NH2+]CC1 ZINC000422708562 389456251 /nfs/dbraw/zinc/45/62/51/389456251.db2.gz JEHVRCUCUWDQPF-CQSZACIVSA-N 2 2 281.400 0.309 20 0 CCADLP O=C([C@H]1COCC[N@H+]1CC1CCC1)N1CCC[NH2+]CC1 ZINC000422708562 389456257 /nfs/dbraw/zinc/45/62/57/389456257.db2.gz JEHVRCUCUWDQPF-CQSZACIVSA-N 2 2 281.400 0.309 20 0 CCADLP CC1(C)COCCN1CC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422716151 389457559 /nfs/dbraw/zinc/45/75/59/389457559.db2.gz UDDYCVTZRMKHCU-LSDHHAIUSA-N 2 2 297.443 0.454 20 0 CCADLP C[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422925270 389506654 /nfs/dbraw/zinc/50/66/54/389506654.db2.gz ZYHQPRLLJXHPKW-MDZLAQPJSA-N 2 2 251.374 0.870 20 0 CCADLP CCN(CC)C(=O)CCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422954864 389510104 /nfs/dbraw/zinc/51/01/04/389510104.db2.gz IIFGQACNGPVFHY-GDBMZVCRSA-N 2 2 297.443 0.992 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1CCC[NH2+]1 ZINC000422954422 389510187 /nfs/dbraw/zinc/51/01/87/389510187.db2.gz HMVDKKGXCZLSOL-KXUCPTDWSA-N 2 2 279.306 0.880 20 0 CCADLP CC[N@H+](C)C[C@@H]1CC[NH+](CCNS(=O)(=O)CC)C1 ZINC000173924431 389511596 /nfs/dbraw/zinc/51/15/96/389511596.db2.gz FCRCWDIJWKPEGZ-LBPRGKRZSA-N 2 2 277.434 0.199 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CCNS(=O)(=O)CC)C1 ZINC000173924431 389511598 /nfs/dbraw/zinc/51/15/98/389511598.db2.gz FCRCWDIJWKPEGZ-LBPRGKRZSA-N 2 2 277.434 0.199 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@H+](CCNS(=O)(=O)CC)C1 ZINC000173924431 389511599 /nfs/dbraw/zinc/51/15/99/389511599.db2.gz FCRCWDIJWKPEGZ-LBPRGKRZSA-N 2 2 277.434 0.199 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CCNS(=O)(=O)CC)C1 ZINC000173924431 389511600 /nfs/dbraw/zinc/51/16/00/389511600.db2.gz FCRCWDIJWKPEGZ-LBPRGKRZSA-N 2 2 277.434 0.199 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422977357 389515437 /nfs/dbraw/zinc/51/54/37/389515437.db2.gz JUOAUKFYTLYITN-KBUPBQIOSA-N 3 2 269.433 0.809 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@H+](CCNS(=O)(=O)CC)C1 ZINC000174215286 389516923 /nfs/dbraw/zinc/51/69/23/389516923.db2.gz YVCXRAYYXYQZNS-CYBMUJFWSA-N 2 2 291.461 0.589 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CCNS(=O)(=O)CC)C1 ZINC000174215286 389516926 /nfs/dbraw/zinc/51/69/26/389516926.db2.gz YVCXRAYYXYQZNS-CYBMUJFWSA-N 2 2 291.461 0.589 20 0 CCADLP O=C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)N1CCCC1 ZINC000334991971 389518633 /nfs/dbraw/zinc/51/86/33/389518633.db2.gz FNOAQFJFLXMOAN-CQSZACIVSA-N 2 2 251.374 0.684 20 0 CCADLP O=C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)N1CCCC1 ZINC000334991971 389518639 /nfs/dbraw/zinc/51/86/39/389518639.db2.gz FNOAQFJFLXMOAN-CQSZACIVSA-N 2 2 251.374 0.684 20 0 CCADLP CNC(=O)[C@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000334996405 389519866 /nfs/dbraw/zinc/51/98/66/389519866.db2.gz YFJSQIFRTWZIJQ-NSHDSACASA-N 2 2 258.325 0.902 20 0 CCADLP CNC(=O)[C@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000334996405 389519870 /nfs/dbraw/zinc/51/98/70/389519870.db2.gz YFJSQIFRTWZIJQ-NSHDSACASA-N 2 2 258.325 0.902 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000423006890 389521280 /nfs/dbraw/zinc/52/12/80/389521280.db2.gz WTDRAOAWYFHLRZ-KFWWJZLASA-N 2 2 297.443 0.990 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1NC[C@H]1CCC[N@H+]1CC(C)C ZINC000423006890 389521281 /nfs/dbraw/zinc/52/12/81/389521281.db2.gz WTDRAOAWYFHLRZ-KFWWJZLASA-N 2 2 297.443 0.990 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H]1CN(C2CC2)CCO1 ZINC000423023584 389523860 /nfs/dbraw/zinc/52/38/60/389523860.db2.gz HPDXIKPZCKVBBR-NFAWXSAZSA-N 2 2 283.416 0.206 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000423022340 389524387 /nfs/dbraw/zinc/52/43/87/389524387.db2.gz DZVAFSSJVUNJSH-XBFCOCLRSA-N 2 2 253.390 0.437 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000423022340 389524393 /nfs/dbraw/zinc/52/43/93/389524393.db2.gz DZVAFSSJVUNJSH-XBFCOCLRSA-N 2 2 253.390 0.437 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CN(C2CC2)CCO1 ZINC000423022340 389524398 /nfs/dbraw/zinc/52/43/98/389524398.db2.gz DZVAFSSJVUNJSH-XBFCOCLRSA-N 2 2 253.390 0.437 20 0 CCADLP CC(C)C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C(=O)NCC[NH+](C)C ZINC000423028462 389525258 /nfs/dbraw/zinc/52/52/58/389525258.db2.gz QTGWASCOQJRLLI-ZNMIVQPWSA-N 3 2 298.475 0.809 20 0 CCADLP CC[C@@H](C(=O)N1CCC[C@H]1C[NH+]1CCOCC1)[NH+](C)C ZINC000413524915 389526736 /nfs/dbraw/zinc/52/67/36/389526736.db2.gz XNYWOZQYDYOKNW-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(NC(=O)C2CC2)CC1)C1CC1 ZINC000351284042 389572138 /nfs/dbraw/zinc/57/21/38/389572138.db2.gz AUMIOYDGCYZNRP-OAHLLOKOSA-N 2 2 295.427 0.432 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(NC(=O)C2CC2)CC1)C1CC1 ZINC000351284042 389572140 /nfs/dbraw/zinc/57/21/40/389572140.db2.gz AUMIOYDGCYZNRP-OAHLLOKOSA-N 2 2 295.427 0.432 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413533127 389527682 /nfs/dbraw/zinc/52/76/82/389527682.db2.gz BOZPKBLOSJFBAL-LBPRGKRZSA-N 2 2 286.420 0.347 20 0 CCADLP C1CC1[C@@H]([NH2+][C@H]1C[C@H]2OCCC[C@@H]21)[C@H]1C[NH2+]CCO1 ZINC000423063664 389528763 /nfs/dbraw/zinc/52/87/63/389528763.db2.gz XBRLWZIYTDXPOZ-XLWJZTARSA-N 2 2 266.385 0.911 20 0 CCADLP CC[C@H]1CN(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CCO1 ZINC000423091226 389532765 /nfs/dbraw/zinc/53/27/65/389532765.db2.gz XAMVEYLCZCCNRQ-IHRRRGAJSA-N 2 2 255.406 0.827 20 0 CCADLP CC[C@H]1C[N@H+](CCN[C@@H](C)[C@@H]2CCC[NH2+]2)CCO1 ZINC000423091226 389532768 /nfs/dbraw/zinc/53/27/68/389532768.db2.gz XAMVEYLCZCCNRQ-IHRRRGAJSA-N 2 2 255.406 0.827 20 0 CCADLP CC[C@H]1C[N@@H+](CCN[C@@H](C)[C@@H]2CCC[NH2+]2)CCO1 ZINC000423091226 389532773 /nfs/dbraw/zinc/53/27/73/389532773.db2.gz XAMVEYLCZCCNRQ-IHRRRGAJSA-N 2 2 255.406 0.827 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NC2CCOCC2)C1 ZINC000174961458 389533129 /nfs/dbraw/zinc/53/31/29/389533129.db2.gz XAXVPKFCYZRVPU-AWEZNQCLSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NC2CCOCC2)C1 ZINC000174961458 389533132 /nfs/dbraw/zinc/53/31/32/389533132.db2.gz XAXVPKFCYZRVPU-AWEZNQCLSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC2CCOCC2)C1 ZINC000174961458 389533136 /nfs/dbraw/zinc/53/31/36/389533136.db2.gz XAXVPKFCYZRVPU-AWEZNQCLSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC2CCOCC2)C1 ZINC000174961458 389533138 /nfs/dbraw/zinc/53/31/38/389533138.db2.gz XAXVPKFCYZRVPU-AWEZNQCLSA-N 2 2 297.443 0.945 20 0 CCADLP C[C@@H]1C[C@H]([NH+](C)CCN2C(=O)CCC2=O)CC[N@@H+]1C ZINC000177059035 389570095 /nfs/dbraw/zinc/57/00/95/389570095.db2.gz AZURYMDGIOQGTI-VXGBXAGGSA-N 2 2 267.373 0.550 20 0 CCADLP C[C@@H]1C[C@H]([NH+](C)CCN2C(=O)CCC2=O)CC[N@H+]1C ZINC000177059035 389570098 /nfs/dbraw/zinc/57/00/98/389570098.db2.gz AZURYMDGIOQGTI-VXGBXAGGSA-N 2 2 267.373 0.550 20 0 CCADLP C[C@@H]1C[C@H]([N@H+](C)CCN2C(=O)CCC2=O)CC[NH+]1C ZINC000177059035 389570099 /nfs/dbraw/zinc/57/00/99/389570099.db2.gz AZURYMDGIOQGTI-VXGBXAGGSA-N 2 2 267.373 0.550 20 0 CCADLP C[C@@H]1C[C@H]([N@@H+](C)CCN2C(=O)CCC2=O)CC[NH+]1C ZINC000177059035 389570101 /nfs/dbraw/zinc/57/01/01/389570101.db2.gz AZURYMDGIOQGTI-VXGBXAGGSA-N 2 2 267.373 0.550 20 0 CCADLP COC(=O)c1cn(CC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)nn1 ZINC000423100403 389535529 /nfs/dbraw/zinc/53/55/29/389535529.db2.gz GUJOFKDSCJGLOE-MNOVXSKESA-N 2 2 281.360 0.185 20 0 CCADLP CCCC[N@H+](C)C[C@H](C)N[C@@H]1CC[NH2+][C@@H]1C(=O)OCC ZINC000423130439 389539899 /nfs/dbraw/zinc/53/98/99/389539899.db2.gz YIPABDBBCPRJGG-MJBXVCDLSA-N 2 2 285.432 0.990 20 0 CCADLP CCCC[N@@H+](C)C[C@H](C)N[C@@H]1CC[NH2+][C@@H]1C(=O)OCC ZINC000423130439 389539904 /nfs/dbraw/zinc/53/99/04/389539904.db2.gz YIPABDBBCPRJGG-MJBXVCDLSA-N 2 2 285.432 0.990 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCC[N@H+]1CCCC1(C)C ZINC000423170338 389548020 /nfs/dbraw/zinc/54/80/20/389548020.db2.gz XTXGBPQWZKEBFQ-QWHCGFSZSA-N 2 2 283.416 0.744 20 0 CCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000335347301 389549891 /nfs/dbraw/zinc/54/98/91/389549891.db2.gz GCPVASLNGBDYGE-VXGBXAGGSA-N 2 2 262.357 0.608 20 0 CCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000335347301 389549893 /nfs/dbraw/zinc/54/98/93/389549893.db2.gz GCPVASLNGBDYGE-VXGBXAGGSA-N 2 2 262.357 0.608 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CCNS(=O)(=O)CC)C1 ZINC000176277065 389554822 /nfs/dbraw/zinc/55/48/22/389554822.db2.gz KXHRPXYVUVILBE-ZDUSSCGKSA-N 2 2 291.461 0.589 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCNS(=O)(=O)CC)C1 ZINC000176277065 389554825 /nfs/dbraw/zinc/55/48/25/389554825.db2.gz KXHRPXYVUVILBE-ZDUSSCGKSA-N 2 2 291.461 0.589 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CCNS(=O)(=O)CC)C1 ZINC000176277065 389554827 /nfs/dbraw/zinc/55/48/27/389554827.db2.gz KXHRPXYVUVILBE-ZDUSSCGKSA-N 2 2 291.461 0.589 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCNS(=O)(=O)CC)C1 ZINC000176277065 389554829 /nfs/dbraw/zinc/55/48/29/389554829.db2.gz KXHRPXYVUVILBE-ZDUSSCGKSA-N 2 2 291.461 0.589 20 0 CCADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000423233607 389555440 /nfs/dbraw/zinc/55/54/40/389555440.db2.gz KFWBKFLWGUARAK-WCQYABFASA-N 2 2 297.424 0.997 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000423321341 389564668 /nfs/dbraw/zinc/56/46/68/389564668.db2.gz HHWVVJQADARRMP-LBPRGKRZSA-N 2 2 262.357 0.891 20 0 CCADLP C[C@H]([NH2+]Cc1ccc(C(N)=O)nc1)[C@H]1CCCC[NH2+]1 ZINC000422868657 389496131 /nfs/dbraw/zinc/49/61/31/389496131.db2.gz VHCIYRLATRRXBJ-CMPLNLGQSA-N 2 2 262.357 0.801 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000373585529 389498949 /nfs/dbraw/zinc/49/89/49/389498949.db2.gz YXZSSPLYGISXFN-CYBMUJFWSA-N 2 2 294.399 0.530 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000373583718 389499603 /nfs/dbraw/zinc/49/96/03/389499603.db2.gz JYZMYQXEAPSSPI-LBPRGKRZSA-N 2 2 262.357 0.610 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000274464619 389503801 /nfs/dbraw/zinc/50/38/01/389503801.db2.gz YCNPSGIONYOMAP-UHFFFAOYSA-N 2 2 265.357 0.189 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000274464619 389503802 /nfs/dbraw/zinc/50/38/02/389503802.db2.gz YCNPSGIONYOMAP-UHFFFAOYSA-N 2 2 265.357 0.189 20 0 CCADLP CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414310077 389611526 /nfs/dbraw/zinc/61/15/26/389611526.db2.gz YTXRJHKMWAFFFS-GHMZBOCLSA-N 2 2 281.404 0.879 20 0 CCADLP C[C@@H](C[NH3+])C(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000423873594 389613252 /nfs/dbraw/zinc/61/32/52/389613252.db2.gz QWHWBJGLTVSLQB-AAEUAGOBSA-N 2 2 269.389 0.150 20 0 CCADLP C[C@@H](C[NH3+])C(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000423873594 389613258 /nfs/dbraw/zinc/61/32/58/389613258.db2.gz QWHWBJGLTVSLQB-AAEUAGOBSA-N 2 2 269.389 0.150 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN2C(=O)NC[C@@H]2C1 ZINC000335865758 389614107 /nfs/dbraw/zinc/61/41/07/389614107.db2.gz QJDNIHQDHVOARV-QWHCGFSZSA-N 2 2 266.389 0.570 20 0 CCADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN2C(=O)NC[C@@H]2C1 ZINC000335865758 389614111 /nfs/dbraw/zinc/61/41/11/389614111.db2.gz QJDNIHQDHVOARV-QWHCGFSZSA-N 2 2 266.389 0.570 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000335865758 389614113 /nfs/dbraw/zinc/61/41/13/389614113.db2.gz QJDNIHQDHVOARV-QWHCGFSZSA-N 2 2 266.389 0.570 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000335865758 389614114 /nfs/dbraw/zinc/61/41/14/389614114.db2.gz QJDNIHQDHVOARV-QWHCGFSZSA-N 2 2 266.389 0.570 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]2CCCC[NH2+]2)CCO1 ZINC000178744180 389618545 /nfs/dbraw/zinc/61/85/45/389618545.db2.gz ATVZGJRJDVSKJP-LBPRGKRZSA-N 2 2 269.389 0.356 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]2CCCC[NH2+]2)CCO1 ZINC000178744180 389618548 /nfs/dbraw/zinc/61/85/48/389618548.db2.gz ATVZGJRJDVSKJP-LBPRGKRZSA-N 2 2 269.389 0.356 20 0 CCADLP CC(C)([NH3+])CC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000178763184 389620525 /nfs/dbraw/zinc/62/05/25/389620525.db2.gz VORIPDLHVMBBQB-UHFFFAOYSA-N 2 2 257.378 0.341 20 0 CCADLP CC(C)([NH3+])CC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000178763184 389620526 /nfs/dbraw/zinc/62/05/26/389620526.db2.gz VORIPDLHVMBBQB-UHFFFAOYSA-N 2 2 257.378 0.341 20 0 CCADLP CC(=O)N[C@@H](C)C1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351584343 389622187 /nfs/dbraw/zinc/62/21/87/389622187.db2.gz VXSVNIAVDUFJOB-LRDDRELGSA-N 2 2 297.443 0.678 20 0 CCADLP CC(=O)N[C@@H](C)C1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351584343 389622190 /nfs/dbraw/zinc/62/21/90/389622190.db2.gz VXSVNIAVDUFJOB-LRDDRELGSA-N 2 2 297.443 0.678 20 0 CCADLP CC(=O)N[C@@H](C)C1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351584342 389622637 /nfs/dbraw/zinc/62/26/37/389622637.db2.gz VXSVNIAVDUFJOB-BLLLJJGKSA-N 2 2 297.443 0.678 20 0 CCADLP CC(=O)N[C@@H](C)C1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351584342 389622639 /nfs/dbraw/zinc/62/26/39/389622639.db2.gz VXSVNIAVDUFJOB-BLLLJJGKSA-N 2 2 297.443 0.678 20 0 CCADLP COCCOc1ccccc1C[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414964463 389647674 /nfs/dbraw/zinc/64/76/74/389647674.db2.gz MFYHGMJQDFJMOF-OAHLLOKOSA-N 2 2 293.411 0.705 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424369338 389624340 /nfs/dbraw/zinc/62/43/40/389624340.db2.gz BLCRXPORSLNVRC-KKOKHZNYSA-N 2 2 255.362 0.140 20 0 CCADLP CCOC(=O)[C@H]1NCC[C@H]1[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424369338 389624343 /nfs/dbraw/zinc/62/43/43/389624343.db2.gz BLCRXPORSLNVRC-KKOKHZNYSA-N 2 2 255.362 0.140 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)CCc1c[nH+]cn1C ZINC000336131059 389624530 /nfs/dbraw/zinc/62/45/30/389624530.db2.gz GRUAMBCAHUDWFY-VXGBXAGGSA-N 2 2 264.373 0.904 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)CCc1c[nH+]cn1C ZINC000336131059 389624532 /nfs/dbraw/zinc/62/45/32/389624532.db2.gz GRUAMBCAHUDWFY-VXGBXAGGSA-N 2 2 264.373 0.904 20 0 CCADLP CC[C@@H](C)NC(=O)C[NH+]1CCN(C[C@H]([NH3+])CC(C)C)CC1 ZINC000414681229 389626559 /nfs/dbraw/zinc/62/65/59/389626559.db2.gz VOBMQKASHYPQKC-HUUCEWRRSA-N 2 2 298.475 0.892 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@H](CO)c1ccsc1)C1CC1 ZINC000351606520 389631214 /nfs/dbraw/zinc/63/12/14/389631214.db2.gz UCELCBFFUBXVKY-QWHCGFSZSA-N 2 2 270.398 0.826 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H](CO)c1ccsc1)C1CC1 ZINC000351606520 389631220 /nfs/dbraw/zinc/63/12/20/389631220.db2.gz UCELCBFFUBXVKY-QWHCGFSZSA-N 2 2 270.398 0.826 20 0 CCADLP CCOC(=O)Cn1nc(C)c(C[NH2+][C@@H]2CCC[NH2+]C2)c1C ZINC000414872170 389643221 /nfs/dbraw/zinc/64/32/21/389643221.db2.gz VUJYNBIVORRVFP-CYBMUJFWSA-N 2 2 294.399 0.905 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000414970982 389648734 /nfs/dbraw/zinc/64/87/34/389648734.db2.gz HJLVCENVEGNTNA-CYBMUJFWSA-N 2 2 291.424 0.927 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000414970982 389648735 /nfs/dbraw/zinc/64/87/35/389648735.db2.gz HJLVCENVEGNTNA-CYBMUJFWSA-N 3 2 291.424 0.927 20 0 CCADLP CN(C)c1[nH+]cc(CN(CCO)C2CC[NH+](C)CC2)n1C ZINC000425328748 389644724 /nfs/dbraw/zinc/64/47/24/389644724.db2.gz USUWLKFYPPYIKF-UHFFFAOYSA-N 2 2 295.431 0.375 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)N=c2ccn(CC[NH+](C)C)[nH]2)C1 ZINC000423365288 389573484 /nfs/dbraw/zinc/57/34/84/389573484.db2.gz BAEFZOOEJNJZFI-VXGBXAGGSA-N 2 2 279.388 0.193 20 0 CCADLP Cn1c[nH+]cc1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000177211655 389575793 /nfs/dbraw/zinc/57/57/93/389575793.db2.gz HQVUEURPCXSMBR-CYBMUJFWSA-N 2 2 264.373 0.574 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@H]([NH3+])C1CCC1)[NH+]1CCOCC1 ZINC000423383970 389576817 /nfs/dbraw/zinc/57/68/17/389576817.db2.gz PQCUYFYMHGDQNI-DMDPSCGWSA-N 2 2 269.389 0.339 20 0 CCADLP CCC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351443678 389582891 /nfs/dbraw/zinc/58/28/91/389582891.db2.gz NEHFKXLMOHCDHL-TZMCWYRMSA-N 2 2 283.416 0.432 20 0 CCADLP CCC(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351443678 389582893 /nfs/dbraw/zinc/58/28/93/389582893.db2.gz NEHFKXLMOHCDHL-TZMCWYRMSA-N 2 2 283.416 0.432 20 0 CCADLP CCC(=O)N[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000351443678 389582896 /nfs/dbraw/zinc/58/28/96/389582896.db2.gz NEHFKXLMOHCDHL-TZMCWYRMSA-N 2 2 283.416 0.432 20 0 CCADLP CCC(=O)N[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351443678 389582898 /nfs/dbraw/zinc/58/28/98/389582898.db2.gz NEHFKXLMOHCDHL-TZMCWYRMSA-N 2 2 283.416 0.432 20 0 CCADLP CC(=O)N(C)C1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351482134 389588046 /nfs/dbraw/zinc/58/80/46/389588046.db2.gz ZAJCIAHPNDOBGH-OAHLLOKOSA-N 2 2 283.416 0.384 20 0 CCADLP CC(=O)N(C)C1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351482134 389588048 /nfs/dbraw/zinc/58/80/48/389588048.db2.gz ZAJCIAHPNDOBGH-OAHLLOKOSA-N 2 2 283.416 0.384 20 0 CCADLP COCCc1noc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000351488099 389589705 /nfs/dbraw/zinc/58/97/05/389589705.db2.gz DQAMAZPCMXKKJQ-AXFHLTTASA-N 2 2 266.345 0.428 20 0 CCADLP COCCc1noc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000351488099 389589708 /nfs/dbraw/zinc/58/97/08/389589708.db2.gz DQAMAZPCMXKKJQ-AXFHLTTASA-N 2 2 266.345 0.428 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000423457470 389589757 /nfs/dbraw/zinc/58/97/57/389589757.db2.gz FUQULUXKNKYRSY-BFHYXJOUSA-N 2 2 283.416 0.683 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000423457470 389589760 /nfs/dbraw/zinc/58/97/60/389589760.db2.gz FUQULUXKNKYRSY-BFHYXJOUSA-N 2 2 283.416 0.683 20 0 CCADLP CCn1cc(C[NH2+]C[C@]2(COC)CCC[NH2+]2)cn1 ZINC000414935969 389645875 /nfs/dbraw/zinc/64/58/75/389645875.db2.gz BJZFXLYDUOWZTM-ZDUSSCGKSA-N 2 2 252.362 0.761 20 0 CCADLP CCn1cc(C[NH2+]C2(CCO)CC[NH+](C)CC2)cn1 ZINC000351501646 389597510 /nfs/dbraw/zinc/59/75/10/389597510.db2.gz JKEOGLVMTFPWRA-UHFFFAOYSA-N 2 2 266.389 0.839 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000351507559 389599054 /nfs/dbraw/zinc/59/90/54/389599054.db2.gz OXEKKYOKIFSNIX-NWDGAFQWSA-N 2 2 266.345 0.109 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000351507559 389599058 /nfs/dbraw/zinc/59/90/58/389599058.db2.gz OXEKKYOKIFSNIX-NWDGAFQWSA-N 2 2 266.345 0.109 20 0 CCADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)NC3CC3)C2)C1 ZINC000335733133 389599819 /nfs/dbraw/zinc/59/98/19/389599819.db2.gz JLZFELGFJKRDON-CQSZACIVSA-N 2 2 251.374 0.683 20 0 CCADLP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)NC3CC3)C2)C1 ZINC000335733133 389599824 /nfs/dbraw/zinc/59/98/24/389599824.db2.gz JLZFELGFJKRDON-CQSZACIVSA-N 2 2 251.374 0.683 20 0 CCADLP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)NC3CC3)C2)C1 ZINC000335733133 389599827 /nfs/dbraw/zinc/59/98/27/389599827.db2.gz JLZFELGFJKRDON-CQSZACIVSA-N 2 2 251.374 0.683 20 0 CCADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)NC3CC3)C2)C1 ZINC000335733133 389599831 /nfs/dbraw/zinc/59/98/31/389599831.db2.gz JLZFELGFJKRDON-CQSZACIVSA-N 2 2 251.374 0.683 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]C1(CO)Cc2ccccc2C1)C1CC1 ZINC000351517300 389602273 /nfs/dbraw/zinc/60/22/73/389602273.db2.gz JROHWOHLVKPCTO-INIZCTEOSA-N 2 2 290.407 0.561 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]C1(CO)Cc2ccccc2C1)C1CC1 ZINC000351517300 389602274 /nfs/dbraw/zinc/60/22/74/389602274.db2.gz JROHWOHLVKPCTO-INIZCTEOSA-N 2 2 290.407 0.561 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280689631 389603745 /nfs/dbraw/zinc/60/37/45/389603745.db2.gz AWSBVHWXUHHORE-SCRDCRAPSA-N 2 2 262.357 0.778 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]CC1(OC)CCOCC1 ZINC000428876821 389725107 /nfs/dbraw/zinc/72/51/07/389725107.db2.gz PLYIGZKBLRIDIN-CQSZACIVSA-N 2 2 286.416 0.882 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]CC1(OC)CCOCC1 ZINC000428876821 389725111 /nfs/dbraw/zinc/72/51/11/389725111.db2.gz PLYIGZKBLRIDIN-CQSZACIVSA-N 2 2 286.416 0.882 20 0 CCADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000414968141 389649572 /nfs/dbraw/zinc/64/95/72/389649572.db2.gz RKCHBNYQRRQYJN-HNNXBMFYSA-N 2 2 286.383 0.261 20 0 CCADLP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000415073374 389655752 /nfs/dbraw/zinc/65/57/52/389655752.db2.gz AZOXWEVXKOBEIN-MRXNPFEDSA-N 3 2 275.396 0.970 20 0 CCADLP COc1ccccc1-n1nccc1C[N@H+](C)C[C@H](O)C[NH3+] ZINC000415069158 389655812 /nfs/dbraw/zinc/65/58/12/389655812.db2.gz ODZSSYYCSVRYSO-CYBMUJFWSA-N 2 2 290.367 0.632 20 0 CCADLP COc1ccccc1-n1nccc1C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000415069158 389655813 /nfs/dbraw/zinc/65/58/13/389655813.db2.gz ODZSSYYCSVRYSO-CYBMUJFWSA-N 2 2 290.367 0.632 20 0 CCADLP Cc1[nH+]cc(CN(C)C[C@H](O)C[NH3+])n1-c1ccccc1 ZINC000415066869 389655871 /nfs/dbraw/zinc/65/58/71/389655871.db2.gz JMMDJDVMWVQGBY-OAHLLOKOSA-N 2 2 274.368 0.932 20 0 CCADLP Cc1ncc(C[N@H+](C)C[C@H](O)C[NH3+])n1-c1ccccc1 ZINC000415066869 389655874 /nfs/dbraw/zinc/65/58/74/389655874.db2.gz JMMDJDVMWVQGBY-OAHLLOKOSA-N 2 2 274.368 0.932 20 0 CCADLP Cc1ncc(C[N@@H+](C)C[C@H](O)C[NH3+])n1-c1ccccc1 ZINC000415066869 389655879 /nfs/dbraw/zinc/65/58/79/389655879.db2.gz JMMDJDVMWVQGBY-OAHLLOKOSA-N 2 2 274.368 0.932 20 0 CCADLP O=S1(=O)CCC[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000375272384 389656810 /nfs/dbraw/zinc/65/68/10/389656810.db2.gz NRZJOSUGVCLRSD-LLVKDONJSA-N 2 2 283.397 0.886 20 0 CCADLP c1cc2c(c(C[NH2+]C[C@H]3C[NH2+]CCO3)c1)OCO2 ZINC000415095947 389658096 /nfs/dbraw/zinc/65/80/96/389658096.db2.gz OUSPMWGWJZSEHB-LLVKDONJSA-N 2 2 250.298 0.493 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)C[C@H]1C ZINC000415098599 389658218 /nfs/dbraw/zinc/65/82/18/389658218.db2.gz WFBOLZXGPIEOQV-ZOBORPQBSA-N 2 2 284.400 0.932 20 0 CCADLP CC(C)[C@@H]([NH2+]CCCn1cc[nH+]c1)C(=O)N1CCOCC1 ZINC000179674546 389661764 /nfs/dbraw/zinc/66/17/64/389661764.db2.gz RCCWQQGNSKAMLW-CQSZACIVSA-N 2 2 294.399 0.746 20 0 CCADLP Cc1cnn(C)c1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000375626774 389694570 /nfs/dbraw/zinc/69/45/70/389694570.db2.gz YZLMLBCIWGASMK-STQMWFEESA-N 2 2 264.373 0.681 20 0 CCADLP Cc1cnn(C)c1C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000375626774 389694573 /nfs/dbraw/zinc/69/45/73/389694573.db2.gz YZLMLBCIWGASMK-STQMWFEESA-N 2 2 264.373 0.681 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000380240774 389763740 /nfs/dbraw/zinc/76/37/40/389763740.db2.gz VMNIBWRXLMVBHE-VIFPVBQESA-N 2 2 254.359 0.429 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]CC2(C)COC2)C1 ZINC000352241394 389777448 /nfs/dbraw/zinc/77/74/48/389777448.db2.gz LOUTYMWETPEVCF-CYBMUJFWSA-N 2 2 256.390 0.969 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]CC2(C)COC2)C1 ZINC000352241394 389777452 /nfs/dbraw/zinc/77/74/52/389777452.db2.gz LOUTYMWETPEVCF-CYBMUJFWSA-N 2 2 256.390 0.969 20 0 CCADLP CC(C)[C@@H](C(=O)NCC(C)(C)[NH+]1CCOCC1)[C@@H](C)[NH3+] ZINC000399617150 389792562 /nfs/dbraw/zinc/79/25/62/389792562.db2.gz ZMBCHQFHSOQCAS-CHWSQXEVSA-N 2 2 285.432 0.833 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000417067754 389793261 /nfs/dbraw/zinc/79/32/61/389793261.db2.gz DKBVMXHOANSZOE-LBPRGKRZSA-N 2 2 293.415 0.917 20 0 CCADLP CC[NH2+]CCNC(=O)NCCCNc1cccc[nH+]1 ZINC000417071980 389793777 /nfs/dbraw/zinc/79/37/77/389793777.db2.gz GXESOQGJOHOGRQ-UHFFFAOYSA-N 2 2 265.361 0.792 20 0 CCADLP C[NH2+][C@H]1CCN(C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000417081413 389794464 /nfs/dbraw/zinc/79/44/64/389794464.db2.gz QGEFKHCXRQIXOR-LBPRGKRZSA-N 2 2 277.372 0.887 20 0 CCADLP C[NH+](C)C1(CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000416307923 389731283 /nfs/dbraw/zinc/73/12/83/389731283.db2.gz NKQZMRXLQZWLBV-AWEZNQCLSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+](C)C1(CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000416307923 389731284 /nfs/dbraw/zinc/73/12/84/389731284.db2.gz NKQZMRXLQZWLBV-AWEZNQCLSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000376336735 389732894 /nfs/dbraw/zinc/73/28/94/389732894.db2.gz MTOXHTWESAPMPO-KBPBESRZSA-N 2 2 283.416 0.603 20 0 CCADLP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000400449753 389797406 /nfs/dbraw/zinc/79/74/06/389797406.db2.gz QNJPAMMAWWAMJA-KBPBESRZSA-N 3 2 268.449 0.743 20 0 CCADLP C[C@H]1CN(C(=O)NCCCn2cc[nH+]c2)[C@@H](C)C[NH2+]1 ZINC000416443351 389744492 /nfs/dbraw/zinc/74/44/92/389744492.db2.gz ZBKYVZYVXUQLRS-RYUDHWBXSA-N 2 2 265.361 0.665 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2Cc3cccc(O)c3C2)CC1 ZINC000429234496 389746369 /nfs/dbraw/zinc/74/63/69/389746369.db2.gz ORBCZXFYEHUOEZ-CYBMUJFWSA-N 2 2 289.379 0.223 20 0 CCADLP C[C@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)CC2(CCOCC2)O1 ZINC000352365617 389798289 /nfs/dbraw/zinc/79/82/89/389798289.db2.gz UOTQEEUPGFUZFT-DZGCQCFKSA-N 2 2 298.427 0.711 20 0 CCADLP C[C@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)CC2(CCOCC2)O1 ZINC000352365617 389798290 /nfs/dbraw/zinc/79/82/90/389798290.db2.gz UOTQEEUPGFUZFT-DZGCQCFKSA-N 2 2 298.427 0.711 20 0 CCADLP C[C@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC2(CCOCC2)O1 ZINC000352365617 389798291 /nfs/dbraw/zinc/79/82/91/389798291.db2.gz UOTQEEUPGFUZFT-DZGCQCFKSA-N 2 2 298.427 0.711 20 0 CCADLP C[C@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC2(CCOCC2)O1 ZINC000352365617 389798293 /nfs/dbraw/zinc/79/82/93/389798293.db2.gz UOTQEEUPGFUZFT-DZGCQCFKSA-N 2 2 298.427 0.711 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000430609126 389812188 /nfs/dbraw/zinc/81/21/88/389812188.db2.gz GRAAYCWAHMYESD-STQMWFEESA-N 2 2 298.431 0.788 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000430609126 389812191 /nfs/dbraw/zinc/81/21/91/389812191.db2.gz GRAAYCWAHMYESD-STQMWFEESA-N 2 2 298.431 0.788 20 0 CCADLP COCC[NH+]1CCC([NH2+]CC2(N(C)C)CC2)CC1 ZINC000417388213 389812749 /nfs/dbraw/zinc/81/27/49/389812749.db2.gz VMFIXLNFWSSRAL-UHFFFAOYSA-N 2 2 255.406 0.781 20 0 CCADLP CC1(C)NC(=O)N(CCC[N@@H+]2CCC[NH2+]CC2)C1=O ZINC000430611668 389812845 /nfs/dbraw/zinc/81/28/45/389812845.db2.gz PKRCYBXIIAWMCO-UHFFFAOYSA-N 2 2 268.361 0.002 20 0 CCADLP CC1(C)NC(=O)N(CCC[N@H+]2CCC[NH2+]CC2)C1=O ZINC000430611668 389812848 /nfs/dbraw/zinc/81/28/48/389812848.db2.gz PKRCYBXIIAWMCO-UHFFFAOYSA-N 2 2 268.361 0.002 20 0 CCADLP C[N@H+](CC(=O)N1CCO[C@H]2CCCC[C@H]21)C1CC[NH2+]CC1 ZINC000430621833 389814112 /nfs/dbraw/zinc/81/41/12/389814112.db2.gz KKWNLQRGUZGAJJ-CABCVRRESA-N 2 2 295.427 0.840 20 0 CCADLP C[N@@H+](CC(=O)N1CCO[C@H]2CCCC[C@H]21)C1CC[NH2+]CC1 ZINC000430621833 389814113 /nfs/dbraw/zinc/81/41/13/389814113.db2.gz KKWNLQRGUZGAJJ-CABCVRRESA-N 2 2 295.427 0.840 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCCS(=O)(=O)N(C)C ZINC000430642995 389815775 /nfs/dbraw/zinc/81/57/75/389815775.db2.gz WIVZJPKIFCEOJJ-RYUDHWBXSA-N 2 2 277.434 0.470 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCCS(=O)(=O)N(C)C ZINC000430642995 389815779 /nfs/dbraw/zinc/81/57/79/389815779.db2.gz WIVZJPKIFCEOJJ-RYUDHWBXSA-N 2 2 277.434 0.470 20 0 CCADLP O=C(C[C@H]1C[NH2+]CCO1)NCCc1cn2c([nH+]1)CCCC2 ZINC000430705559 389818939 /nfs/dbraw/zinc/81/89/39/389818939.db2.gz RQNHOUWRMSDPEE-ZDUSSCGKSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(C[C@@H]1C[NH2+]CCO1)NCCc1cn2c([nH+]1)CCCC2 ZINC000430705558 389818945 /nfs/dbraw/zinc/81/89/45/389818945.db2.gz RQNHOUWRMSDPEE-CYBMUJFWSA-N 2 2 292.383 0.257 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000417483994 389820127 /nfs/dbraw/zinc/82/01/27/389820127.db2.gz UALZGWIRKLRROK-LLVKDONJSA-N 2 2 279.388 0.998 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000417502783 389821795 /nfs/dbraw/zinc/82/17/95/389821795.db2.gz BZOIOWKUFFOVFF-MELADBBJSA-N 2 2 298.431 0.618 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000417502783 389821799 /nfs/dbraw/zinc/82/17/99/389821799.db2.gz BZOIOWKUFFOVFF-MELADBBJSA-N 2 2 298.431 0.618 20 0 CCADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000430748934 389821903 /nfs/dbraw/zinc/82/19/03/389821903.db2.gz SFUJYEDHYHMMJN-CYBMUJFWSA-N 2 2 290.367 0.144 20 0 CCADLP C[C@@H](CCCC[NH3+])NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000417518157 389824861 /nfs/dbraw/zinc/82/48/61/389824861.db2.gz RXJZJSNVLGERQD-QWHCGFSZSA-N 2 2 286.420 0.524 20 0 CCADLP C[C@@H](CCCC[NH3+])NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000417518157 389824865 /nfs/dbraw/zinc/82/48/65/389824865.db2.gz RXJZJSNVLGERQD-QWHCGFSZSA-N 2 2 286.420 0.524 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000417516205 389825355 /nfs/dbraw/zinc/82/53/55/389825355.db2.gz GGAQMWGJNXOHTA-SRVKXCTJSA-N 2 2 272.393 0.132 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000417521373 389825800 /nfs/dbraw/zinc/82/58/00/389825800.db2.gz YXWKYMWJRPTVSQ-VXGBXAGGSA-N 2 2 272.393 0.004 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000417521373 389825801 /nfs/dbraw/zinc/82/58/01/389825801.db2.gz YXWKYMWJRPTVSQ-VXGBXAGGSA-N 2 2 272.393 0.004 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000417520275 389826202 /nfs/dbraw/zinc/82/62/02/389826202.db2.gz NNWRSJBKNQJBHF-AVGNSLFASA-N 2 2 286.420 0.250 20 0 CCADLP C[NH2+]C[C@@H]1CCCN1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000417534112 389828147 /nfs/dbraw/zinc/82/81/47/389828147.db2.gz YMEIUVYEUGAOPE-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP C[NH2+]C[C@@H]1CCCN1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000417534112 389828148 /nfs/dbraw/zinc/82/81/48/389828148.db2.gz YMEIUVYEUGAOPE-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP COC(=O)c1cc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c[nH]1 ZINC000352540102 389829020 /nfs/dbraw/zinc/82/90/20/389829020.db2.gz HDEBPQOFVQNEAZ-CYBMUJFWSA-N 2 2 292.383 0.281 20 0 CCADLP C[C@H](CC(=O)NCC[N@@H+]1CCOC[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000430878054 389830639 /nfs/dbraw/zinc/83/06/39/389830639.db2.gz GRBILCUMBTVMJA-RBSFLKMASA-N 2 2 297.443 0.849 20 0 CCADLP C[C@H](CC(=O)NCC[N@H+]1CCOC[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000430878054 389830641 /nfs/dbraw/zinc/83/06/41/389830641.db2.gz GRBILCUMBTVMJA-RBSFLKMASA-N 2 2 297.443 0.849 20 0 CCADLP CN1CC[N@H+](C)[C@@H](CNC(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000417596915 389834673 /nfs/dbraw/zinc/83/46/73/389834673.db2.gz QZZFCYZQNVVRQE-KBPBESRZSA-N 2 2 297.447 0.049 20 0 CCADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000417596915 389834675 /nfs/dbraw/zinc/83/46/75/389834675.db2.gz QZZFCYZQNVVRQE-KBPBESRZSA-N 2 2 297.447 0.049 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(=O)c(OC)co2)C1 ZINC000430926479 389836006 /nfs/dbraw/zinc/83/60/06/389836006.db2.gz GOYOCOZHANTCBI-SNVBAGLBSA-N 2 2 252.314 0.690 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(=O)c(OC)co2)C1 ZINC000430926479 389836010 /nfs/dbraw/zinc/83/60/10/389836010.db2.gz GOYOCOZHANTCBI-SNVBAGLBSA-N 2 2 252.314 0.690 20 0 CCADLP Cc1cc(N2CC[C@@H]([N@@H+]3CC[C@@H](C[NH3+])C3)C2=O)n(C)n1 ZINC000430929292 389836095 /nfs/dbraw/zinc/83/60/95/389836095.db2.gz ORTYQDPTWUXDGA-NWDGAFQWSA-N 2 2 277.372 0.114 20 0 CCADLP Cc1cc(N2CC[C@@H]([N@H+]3CC[C@@H](C[NH3+])C3)C2=O)n(C)n1 ZINC000430929292 389836098 /nfs/dbraw/zinc/83/60/98/389836098.db2.gz ORTYQDPTWUXDGA-NWDGAFQWSA-N 2 2 277.372 0.114 20 0 CCADLP C[C@@H]([NH3+])C1CC[NH+](Cc2cc(=O)n3[nH]ccc3n2)CC1 ZINC000430958783 389839842 /nfs/dbraw/zinc/83/98/42/389839842.db2.gz UHNUPSHOAYIMSO-SNVBAGLBSA-N 2 2 275.356 0.582 20 0 CCADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)NC(=O)NCc2ccccc2)C1 ZINC000430960905 389841035 /nfs/dbraw/zinc/84/10/35/389841035.db2.gz LVIJSOVOADOFGD-CYBMUJFWSA-N 2 2 290.367 0.293 20 0 CCADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)NC(=O)NCc2ccccc2)C1 ZINC000430960905 389841038 /nfs/dbraw/zinc/84/10/38/389841038.db2.gz LVIJSOVOADOFGD-CYBMUJFWSA-N 2 2 290.367 0.293 20 0 CCADLP C[C@@H]1CN(C(=O)[C@]2(C)CC[NH2+]C2)C[C@H]1[NH+]1CCOCC1 ZINC000431017979 389844850 /nfs/dbraw/zinc/84/48/50/389844850.db2.gz TXRXDRRXNOHZPW-UMVBOHGHSA-N 2 2 281.400 0.165 20 0 CCADLP COCC[NH2+]CCNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000417729773 389847261 /nfs/dbraw/zinc/84/72/61/389847261.db2.gz CNXGZAOCDHZYTE-UHFFFAOYSA-N 2 2 297.403 0.574 20 0 CCADLP O=C(C[NH2+]C[C@H]1CCCO1)N1CCC(n2cc[nH+]c2)CC1 ZINC000431055627 389848180 /nfs/dbraw/zinc/84/81/80/389848180.db2.gz AAURVGPDGWIHLQ-CQSZACIVSA-N 2 2 292.383 0.815 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000353520739 389852601 /nfs/dbraw/zinc/85/26/01/389852601.db2.gz OSGLAZGZDJNMQP-KKUMJFAQSA-N 2 2 295.427 0.554 20 0 CCADLP Cc1ncc(C[NH+]2CCN(C[C@@H](C)[NH3+])CC2)s1 ZINC000442654424 389853716 /nfs/dbraw/zinc/85/37/16/389853716.db2.gz BKCOQJNLQKIYAA-SNVBAGLBSA-N 2 2 254.403 0.916 20 0 CCADLP C[C@H]([NH3+])C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000442662753 389853982 /nfs/dbraw/zinc/85/39/82/389853982.db2.gz QODWIJJCQKCUTP-ZDUSSCGKSA-N 3 2 282.432 0.210 20 0 CCADLP C[C@H]([NH3+])CN1CC[NH+](CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 ZINC000442659126 389854028 /nfs/dbraw/zinc/85/40/28/389854028.db2.gz KIWHYODSUMYDTF-KKUMJFAQSA-N 2 2 296.459 0.646 20 0 CCADLP CC(C)OCCCNC(=O)C1CC[NH+](C[C@H](C)[NH3+])CC1 ZINC000442666460 389854332 /nfs/dbraw/zinc/85/43/32/389854332.db2.gz RCWHIMSUQZDJIM-ZDUSSCGKSA-N 2 2 285.432 0.977 20 0 CCADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000417854591 389857382 /nfs/dbraw/zinc/85/73/82/389857382.db2.gz UFGNKRIXBACPMK-WDEREUQCSA-N 2 2 294.403 0.378 20 0 CCADLP CO[C@H](C)c1noc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)n1 ZINC000442760960 389861410 /nfs/dbraw/zinc/86/14/10/389861410.db2.gz WEENFJRGHRZQIX-OPRDCNLKSA-N 2 2 254.334 0.946 20 0 CCADLP CO[C@H](C)c1noc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)n1 ZINC000442760960 389861412 /nfs/dbraw/zinc/86/14/12/389861412.db2.gz WEENFJRGHRZQIX-OPRDCNLKSA-N 2 2 254.334 0.946 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)n(C)n1 ZINC000442764755 389862265 /nfs/dbraw/zinc/86/22/65/389862265.db2.gz GNHVKNBQQQPCQT-MNOVXSKESA-N 2 2 265.361 0.336 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)n(C)n1 ZINC000442764755 389862266 /nfs/dbraw/zinc/86/22/66/389862266.db2.gz GNHVKNBQQQPCQT-MNOVXSKESA-N 2 2 265.361 0.336 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+](CCO)[C@@H]1CCCSC1)C1CC1 ZINC000433186542 389904223 /nfs/dbraw/zinc/90/42/23/389904223.db2.gz FHJBBJIKRFVMTO-KGLIPLIRSA-N 2 2 288.457 0.631 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+](CCO)[C@@H]1CCCSC1)C1CC1 ZINC000433186542 389904224 /nfs/dbraw/zinc/90/42/24/389904224.db2.gz FHJBBJIKRFVMTO-KGLIPLIRSA-N 2 2 288.457 0.631 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+](CCO)[C@@H]1CCCSC1)C1CC1 ZINC000433186542 389904226 /nfs/dbraw/zinc/90/42/26/389904226.db2.gz FHJBBJIKRFVMTO-KGLIPLIRSA-N 2 2 288.457 0.631 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+](CCO)[C@@H]1CCCSC1)C1CC1 ZINC000433186542 389904228 /nfs/dbraw/zinc/90/42/28/389904228.db2.gz FHJBBJIKRFVMTO-KGLIPLIRSA-N 2 2 288.457 0.631 20 0 CCADLP Cn1c(NCCN2CC[NH+](C)CC2)[nH+]c2cccc(F)c21 ZINC000443430388 389879394 /nfs/dbraw/zinc/87/93/94/389879394.db2.gz PAZGVEPBRSJJLB-UHFFFAOYSA-N 2 2 291.374 0.794 20 0 CCADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000419684407 389905970 /nfs/dbraw/zinc/90/59/70/389905970.db2.gz LXXSCRBZCJMXSB-VXGBXAGGSA-N 2 2 295.387 0.022 20 0 CCADLP C[C@H]([NH3+])[C@H](C)Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000420261047 389975112 /nfs/dbraw/zinc/97/51/12/389975112.db2.gz KCTIVVHKPWAJAW-UWVGGRQHSA-N 2 2 251.334 0.461 20 0 CCADLP C[C@H]1C[NH2+]CCN1c1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000420216176 389966690 /nfs/dbraw/zinc/96/66/90/389966690.db2.gz BVJFKPSTBRPWQT-QWHCGFSZSA-N 2 2 291.399 0.483 20 0 CCADLP C[C@H](O)[C@H]1CCN(c2cc(N3CC[NH2+][C@@H](C)C3)nc[nH+]2)C1 ZINC000420240954 389971300 /nfs/dbraw/zinc/97/13/00/389971300.db2.gz SFRGVOPCAODUDB-AVGNSLFASA-N 2 2 291.399 0.482 20 0 CCADLP C[C@@H](C[NH3+])[N@H+](C)CCc1nnnn1-c1ccccc1 ZINC000433492298 389915960 /nfs/dbraw/zinc/91/59/60/389915960.db2.gz SWXJSFATWIHDHE-NSHDSACASA-N 2 2 260.345 0.484 20 0 CCADLP C[C@@H](C[NH3+])[N@@H+](C)CCc1nnnn1-c1ccccc1 ZINC000433492298 389915962 /nfs/dbraw/zinc/91/59/62/389915962.db2.gz SWXJSFATWIHDHE-NSHDSACASA-N 2 2 260.345 0.484 20 0 CCADLP C[C@@H]1CN(CC[NH+]2CCOCC2)CC[N@@H+]1CC(C)(C)O ZINC000444755468 389916931 /nfs/dbraw/zinc/91/69/31/389916931.db2.gz FJMPLSFKFYTHIL-CQSZACIVSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H]1CN(CC[NH+]2CCOCC2)CC[N@H+]1CC(C)(C)O ZINC000444755468 389916934 /nfs/dbraw/zinc/91/69/34/389916934.db2.gz FJMPLSFKFYTHIL-CQSZACIVSA-N 2 2 285.432 0.096 20 0 CCADLP OCC[N@H+](CCCn1cc[nH+]c1)C1CCOCC1 ZINC000444771285 389917825 /nfs/dbraw/zinc/91/78/25/389917825.db2.gz ONSIXDOLCKNVLG-UHFFFAOYSA-N 2 2 253.346 0.747 20 0 CCADLP OCC[N@@H+](CCCn1cc[nH+]c1)C1CCOCC1 ZINC000444771285 389917828 /nfs/dbraw/zinc/91/78/28/389917828.db2.gz ONSIXDOLCKNVLG-UHFFFAOYSA-N 2 2 253.346 0.747 20 0 CCADLP COCC[NH+]1CCC([NH2+]CC2([S@](C)=O)CCC2)CC1 ZINC000436290452 389974077 /nfs/dbraw/zinc/97/40/77/389974077.db2.gz YVFXIRDDRNUFKD-IBGZPJMESA-N 2 2 288.457 0.988 20 0 CCADLP Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C)C2)c(C)[nH+]1 ZINC000447145420 389947438 /nfs/dbraw/zinc/94/74/38/389947438.db2.gz HBCXYSQCGNXJDD-GFCCVEGCSA-N 2 2 290.367 0.705 20 0 CCADLP Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C)C2)c(C)[nH+]1 ZINC000447145420 389947439 /nfs/dbraw/zinc/94/74/39/389947439.db2.gz HBCXYSQCGNXJDD-GFCCVEGCSA-N 2 2 290.367 0.705 20 0 CCADLP C[C@H](O)CNc1cc(N2CCC3(CC[NH2+]C3)CC2)nc[nH+]1 ZINC000420256849 389974452 /nfs/dbraw/zinc/97/44/52/389974452.db2.gz HOBWBVFBHRZXSC-LBPRGKRZSA-N 2 2 291.399 0.849 20 0 CCADLP C[C@H](O)CNc1cc(N2CCC3(CC[NH2+]C3)CC2)[nH+]cn1 ZINC000420256849 389974453 /nfs/dbraw/zinc/97/44/53/389974453.db2.gz HOBWBVFBHRZXSC-LBPRGKRZSA-N 2 2 291.399 0.849 20 0 CCADLP CNC(=O)C[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420900267 390037103 /nfs/dbraw/zinc/03/71/03/390037103.db2.gz HTJURQCZNZPSKY-UHFFFAOYSA-N 2 2 291.395 0.697 20 0 CCADLP CNC(=O)C[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420900267 390037106 /nfs/dbraw/zinc/03/71/06/390037106.db2.gz HTJURQCZNZPSKY-UHFFFAOYSA-N 2 2 291.395 0.697 20 0 CCADLP OC[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)[C@H]1CCCO1 ZINC000447969936 389975930 /nfs/dbraw/zinc/97/59/30/389975930.db2.gz APGVLTSPKZVYDK-CHWSQXEVSA-N 2 2 261.325 0.964 20 0 CCADLP C[C@@H](Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1)[C@H](C)[NH3+] ZINC000420274584 389976130 /nfs/dbraw/zinc/97/61/30/389976130.db2.gz YIKPLWCMXQLMTH-TUAOUCFPSA-N 2 2 279.388 0.975 20 0 CCADLP COc1ccc2[nH+]c(C)nc(NC[C@H]3C[NH2+]CCO3)c2c1 ZINC000420281469 389977302 /nfs/dbraw/zinc/97/73/02/389977302.db2.gz LZHAKIZWWRIKPX-GFCCVEGCSA-N 2 2 288.351 0.769 20 0 CCADLP Cc1cccc(NC(=O)[C@H](C)[N@H+](C)C[C@H](O)C[NH3+])c1C ZINC000420350525 389988445 /nfs/dbraw/zinc/98/84/45/389988445.db2.gz HFACJHZQGZTNOF-QWHCGFSZSA-N 2 2 279.384 0.882 20 0 CCADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+](C)C[C@H](O)C[NH3+])c1C ZINC000420350525 389988449 /nfs/dbraw/zinc/98/84/49/389988449.db2.gz HFACJHZQGZTNOF-QWHCGFSZSA-N 2 2 279.384 0.882 20 0 CCADLP C[N@H+](C[C@H](O)C[NH3+])[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000420356148 389990716 /nfs/dbraw/zinc/99/07/16/389990716.db2.gz QNEYCTIHFIQYCX-OLZOCXBDSA-N 2 2 297.786 0.697 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH3+])[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000420356148 389990719 /nfs/dbraw/zinc/99/07/19/389990719.db2.gz QNEYCTIHFIQYCX-OLZOCXBDSA-N 2 2 297.786 0.697 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)CC1 ZINC000420355992 389990926 /nfs/dbraw/zinc/99/09/26/389990926.db2.gz CGEPDFVJZJUVQT-ZQDZILKHSA-N 3 2 296.459 0.515 20 0 CCADLP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420361559 389992118 /nfs/dbraw/zinc/99/21/18/389992118.db2.gz YJXOECJDXMCOJE-SCZZXKLOSA-N 2 2 287.310 0.543 20 0 CCADLP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420361559 389992121 /nfs/dbraw/zinc/99/21/21/389992121.db2.gz YJXOECJDXMCOJE-SCZZXKLOSA-N 2 2 287.310 0.543 20 0 CCADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)Nc1ccncc1 ZINC000420367504 389993095 /nfs/dbraw/zinc/99/30/95/389993095.db2.gz SPPWSSRLHPANTC-GFCCVEGCSA-N 2 2 262.357 0.420 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420404600 389997681 /nfs/dbraw/zinc/99/76/81/389997681.db2.gz MHUXQJPWECOFSO-UONOGXRCSA-N 2 2 285.432 0.836 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420404600 389997683 /nfs/dbraw/zinc/99/76/83/389997683.db2.gz MHUXQJPWECOFSO-UONOGXRCSA-N 2 2 285.432 0.836 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]CC[C@H]1CCOC1 ZINC000438217398 390003466 /nfs/dbraw/zinc/00/34/66/390003466.db2.gz RQBKLDLUAFXJLY-STQMWFEESA-N 2 2 269.389 0.342 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]CC[C@H]1CCOC1 ZINC000438217398 390003467 /nfs/dbraw/zinc/00/34/67/390003467.db2.gz RQBKLDLUAFXJLY-STQMWFEESA-N 2 2 269.389 0.342 20 0 CCADLP C[C@@H](C(=O)N(C)CC1([NH+](C)C)CCC1)[NH+]1CCOCC1 ZINC000438594740 390008877 /nfs/dbraw/zinc/00/88/77/390008877.db2.gz GSLURABBPDKHDU-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP C[N@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@H]1COC[C@H]1O ZINC000463198953 390076515 /nfs/dbraw/zinc/07/65/15/390076515.db2.gz OJDFWDZMOUUVCJ-JONQDZQNSA-N 2 2 291.395 0.766 20 0 CCADLP C[N@@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@H]1COC[C@H]1O ZINC000463198953 390076516 /nfs/dbraw/zinc/07/65/16/390076516.db2.gz OJDFWDZMOUUVCJ-JONQDZQNSA-N 2 2 291.395 0.766 20 0 CCADLP C[NH+](C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)[C@H]1COC[C@H]1O ZINC000463198953 390076517 /nfs/dbraw/zinc/07/65/17/390076517.db2.gz OJDFWDZMOUUVCJ-JONQDZQNSA-N 2 2 291.395 0.766 20 0 CCADLP C[NH+](C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)[C@H]1COC[C@H]1O ZINC000463198953 390076518 /nfs/dbraw/zinc/07/65/18/390076518.db2.gz OJDFWDZMOUUVCJ-JONQDZQNSA-N 2 2 291.395 0.766 20 0 CCADLP COCC[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCC[C@H]1C ZINC000487972460 390091021 /nfs/dbraw/zinc/09/10/21/390091021.db2.gz MNRFFJRUBXURDF-CABCVRRESA-N 2 2 297.443 0.897 20 0 CCADLP COCC[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCC[C@H]1C ZINC000487972460 390091022 /nfs/dbraw/zinc/09/10/22/390091022.db2.gz MNRFFJRUBXURDF-CABCVRRESA-N 2 2 297.443 0.897 20 0 CCADLP Cc1nc(N[C@H](C)C[NH+]2CCCCC2)nc(N(C)C)[nH+]1 ZINC000488362740 390093040 /nfs/dbraw/zinc/09/30/40/390093040.db2.gz DWYMIRUTAIZKKR-LLVKDONJSA-N 2 2 278.404 0.954 20 0 CCADLP C[C@@H]1C[C@H]1C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000488537458 390094613 /nfs/dbraw/zinc/09/46/13/390094613.db2.gz QPURXLHMRKACBU-HZSPNIEDSA-N 2 2 281.400 0.165 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000488571323 390094731 /nfs/dbraw/zinc/09/47/31/390094731.db2.gz WTLXAYFGDOUKIJ-GFCCVEGCSA-N 2 2 279.388 0.837 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000488571323 390094732 /nfs/dbraw/zinc/09/47/32/390094732.db2.gz WTLXAYFGDOUKIJ-GFCCVEGCSA-N 2 2 279.388 0.837 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)NCC[NH2+]CCOC ZINC000493142134 390119501 /nfs/dbraw/zinc/11/95/01/390119501.db2.gz VFCJREHQIQYVED-SNAWJCMRSA-N 2 2 266.345 0.268 20 0 CCADLP C[N@H+](CCN1CC[NH2+]CC1)[C@H](C(N)=O)c1ccccc1 ZINC000647835011 390185877 /nfs/dbraw/zinc/18/58/77/390185877.db2.gz IXKUKEQFAQJYFA-AWEZNQCLSA-N 2 2 276.384 0.050 20 0 CCADLP C[N@@H+](CCN1CC[NH2+]CC1)[C@H](C(N)=O)c1ccccc1 ZINC000647835011 390185880 /nfs/dbraw/zinc/18/58/80/390185880.db2.gz IXKUKEQFAQJYFA-AWEZNQCLSA-N 2 2 276.384 0.050 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000493294313 390122618 /nfs/dbraw/zinc/12/26/18/390122618.db2.gz WEYXJWVGWHSUAA-VSQXVHSFSA-N 2 2 278.356 0.602 20 0 CCADLP COCC[N@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000493294313 390122619 /nfs/dbraw/zinc/12/26/19/390122619.db2.gz WEYXJWVGWHSUAA-VSQXVHSFSA-N 2 2 278.356 0.602 20 0 CCADLP C[C@@H](C(=O)NCc1ccc(N(C)C)[nH+]c1)[C@H](C)[NH3+] ZINC000493890060 390132241 /nfs/dbraw/zinc/13/22/41/390132241.db2.gz AGFSFYNBRDCINX-ZJUUUORDSA-N 2 2 250.346 0.747 20 0 CCADLP C[C@@H](C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@H](C)[NH3+] ZINC000644150403 390148054 /nfs/dbraw/zinc/14/80/54/390148054.db2.gz WNYLYIUCIVGEDS-GRYCIOLGSA-N 2 2 262.357 0.760 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000535721518 390148960 /nfs/dbraw/zinc/14/89/60/390148960.db2.gz GAIHBFYCFFYLMB-VXGBXAGGSA-N 2 2 282.413 0.825 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000535721518 390148961 /nfs/dbraw/zinc/14/89/61/390148961.db2.gz GAIHBFYCFFYLMB-VXGBXAGGSA-N 2 2 282.413 0.825 20 0 CCADLP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+](C)C[C@H]2C[NH3+])C1 ZINC000579211029 390150990 /nfs/dbraw/zinc/15/09/90/390150990.db2.gz FDEQWZSUNYUKCQ-UONOGXRCSA-N 3 2 297.447 0.003 20 0 CCADLP CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+](C)C[C@H]2C[NH3+])C1 ZINC000579211029 390150992 /nfs/dbraw/zinc/15/09/92/390150992.db2.gz FDEQWZSUNYUKCQ-UONOGXRCSA-N 3 2 297.447 0.003 20 0 CCADLP CCC[NH+]1CC[C@@H](CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000579211029 390150996 /nfs/dbraw/zinc/15/09/96/390150996.db2.gz FDEQWZSUNYUKCQ-UONOGXRCSA-N 3 2 297.447 0.003 20 0 CCADLP CCC[NH+]1CC[C@@H](CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000579211029 390150998 /nfs/dbraw/zinc/15/09/98/390150998.db2.gz FDEQWZSUNYUKCQ-UONOGXRCSA-N 3 2 297.447 0.003 20 0 CCADLP Cc1cc(NC(=O)N2CC[NH+](CCO)CC2)c(C)c[nH+]1 ZINC000535772391 390152245 /nfs/dbraw/zinc/15/22/45/390152245.db2.gz BWLOQEXQADZYRS-UHFFFAOYSA-N 2 2 278.356 0.262 20 0 CCADLP O=C1OCC[C@H]2C[N@H+](CCn3cc[nH+]c3)CCN12 ZINC000494142481 390154014 /nfs/dbraw/zinc/15/40/14/390154014.db2.gz QADBRDRGCHZNFK-NSHDSACASA-N 2 2 250.302 0.410 20 0 CCADLP O=C1OCC[C@H]2C[N@@H+](CCn3cc[nH+]c3)CCN12 ZINC000494142481 390154016 /nfs/dbraw/zinc/15/40/16/390154016.db2.gz QADBRDRGCHZNFK-NSHDSACASA-N 2 2 250.302 0.410 20 0 CCADLP CC[C@H]1C[N@H+](C[C@](C)(O)C[NH2+]C)CCN1CC(F)F ZINC000579248100 390157950 /nfs/dbraw/zinc/15/79/50/390157950.db2.gz MLCVFQXJKVDDSJ-WCQYABFASA-N 2 2 279.375 0.618 20 0 CCADLP CC[C@H]1C[N@@H+](C[C@](C)(O)C[NH2+]C)CCN1CC(F)F ZINC000579248100 390157954 /nfs/dbraw/zinc/15/79/54/390157954.db2.gz MLCVFQXJKVDDSJ-WCQYABFASA-N 2 2 279.375 0.618 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CC2(C)C)[C@@H](C[NH3+])C1 ZINC000579333050 390162486 /nfs/dbraw/zinc/16/24/86/390162486.db2.gz NKELRUDDWJEYHX-QWRGUYRKSA-N 2 2 254.378 0.317 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CC2(C)C)[C@@H](C[NH3+])C1 ZINC000579333050 390162487 /nfs/dbraw/zinc/16/24/87/390162487.db2.gz NKELRUDDWJEYHX-QWRGUYRKSA-N 2 2 254.378 0.317 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000579351353 390164174 /nfs/dbraw/zinc/16/41/74/390164174.db2.gz SUXAXFOILOOHRK-OLZOCXBDSA-N 2 2 299.415 0.376 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000579351353 390164176 /nfs/dbraw/zinc/16/41/76/390164176.db2.gz SUXAXFOILOOHRK-OLZOCXBDSA-N 2 2 299.415 0.376 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 ZINC000644228614 390170254 /nfs/dbraw/zinc/17/02/54/390170254.db2.gz PZJWFQHZIVPFQH-MCIONIFRSA-N 2 2 292.383 0.446 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1 ZINC000644228614 390170257 /nfs/dbraw/zinc/17/02/57/390170257.db2.gz PZJWFQHZIVPFQH-MCIONIFRSA-N 2 2 292.383 0.446 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1 ZINC000644228614 390170260 /nfs/dbraw/zinc/17/02/60/390170260.db2.gz PZJWFQHZIVPFQH-MCIONIFRSA-N 2 2 292.383 0.446 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+][C@H]2CC[C@@H](CO)C2)C[C@H](C)O1 ZINC000579473537 390176817 /nfs/dbraw/zinc/17/68/17/390176817.db2.gz ZAVWCKVHUNWRPY-SEBNEYGDSA-N 2 2 286.416 0.207 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+][C@H]2CC[C@@H](CO)C2)C[C@H](C)O1 ZINC000579473537 390176823 /nfs/dbraw/zinc/17/68/23/390176823.db2.gz ZAVWCKVHUNWRPY-SEBNEYGDSA-N 2 2 286.416 0.207 20 0 CCADLP C[C@@H](CC(=O)N1CC[NH2+]C[C@@H]1C(F)F)n1cc[nH+]c1 ZINC000579488146 390179193 /nfs/dbraw/zinc/17/91/93/390179193.db2.gz HOOMGRJIMDFTIN-VHSXEESVSA-N 2 2 272.299 0.900 20 0 CCADLP CCCC[N@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCS(=O)(=O)C1 ZINC000647871203 390200896 /nfs/dbraw/zinc/20/08/96/390200896.db2.gz YTCWXTCUBOSGQF-QWHCGFSZSA-N 2 2 274.430 0.885 20 0 CCADLP CCCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCS(=O)(=O)C1 ZINC000647871203 390200898 /nfs/dbraw/zinc/20/08/98/390200898.db2.gz YTCWXTCUBOSGQF-QWHCGFSZSA-N 2 2 274.430 0.885 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000579718782 390203172 /nfs/dbraw/zinc/20/31/72/390203172.db2.gz BIGFRIZEZFMJBE-ZIAGYGMSSA-N 2 2 294.399 0.749 20 0 CCADLP NC(=O)[C@H]1c2ccccc2CC[N@H+]1CCOCC[NH3+] ZINC000647882638 390206444 /nfs/dbraw/zinc/20/64/44/390206444.db2.gz HWLPRGIEZRBWKL-CYBMUJFWSA-N 2 2 263.341 0.046 20 0 CCADLP NC(=O)[C@H]1c2ccccc2CC[N@@H+]1CCOCC[NH3+] ZINC000647882638 390206446 /nfs/dbraw/zinc/20/64/46/390206446.db2.gz HWLPRGIEZRBWKL-CYBMUJFWSA-N 2 2 263.341 0.046 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H]1C[NH+](CC)C[C@H]1C ZINC000644388597 390207424 /nfs/dbraw/zinc/20/74/24/390207424.db2.gz GHKKMGPAICHAEB-RBSFLKMASA-N 2 2 297.443 0.944 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H]1C[NH+](CC)C[C@H]1C ZINC000644388597 390207427 /nfs/dbraw/zinc/20/74/27/390207427.db2.gz GHKKMGPAICHAEB-RBSFLKMASA-N 2 2 297.443 0.944 20 0 CCADLP CCCC[NH+]1CCOC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000644388597 390207431 /nfs/dbraw/zinc/20/74/31/390207431.db2.gz GHKKMGPAICHAEB-RBSFLKMASA-N 2 2 297.443 0.944 20 0 CCADLP FC(F)(F)[C@H]1C[N@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000647886634 390208028 /nfs/dbraw/zinc/20/80/28/390208028.db2.gz DKBFTUHKYDGQMJ-SNVBAGLBSA-N 2 2 267.295 0.155 20 0 CCADLP FC(F)(F)[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000647886634 390208030 /nfs/dbraw/zinc/20/80/30/390208030.db2.gz DKBFTUHKYDGQMJ-SNVBAGLBSA-N 2 2 267.295 0.155 20 0 CCADLP C[C@H](CS(C)(=O)=O)[N@H+](C[C@H]1CC[NH2+]C1)C1CC1 ZINC000647885728 390208344 /nfs/dbraw/zinc/20/83/44/390208344.db2.gz KAAUVUUGSZICAI-MNOVXSKESA-N 2 2 260.403 0.493 20 0 CCADLP C[C@H](CS(C)(=O)=O)[N@@H+](C[C@H]1CC[NH2+]C1)C1CC1 ZINC000647885728 390208345 /nfs/dbraw/zinc/20/83/45/390208345.db2.gz KAAUVUUGSZICAI-MNOVXSKESA-N 2 2 260.403 0.493 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC000647906736 390213317 /nfs/dbraw/zinc/21/33/17/390213317.db2.gz WSMFOLQZOFNTRU-GUBZILKMSA-N 2 2 279.392 0.080 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC000647906736 390213319 /nfs/dbraw/zinc/21/33/19/390213319.db2.gz WSMFOLQZOFNTRU-GUBZILKMSA-N 2 2 279.392 0.080 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ncnn3CCF)C[C@H]21 ZINC000647907636 390214067 /nfs/dbraw/zinc/21/40/67/390214067.db2.gz OKWATUFJCUMRIR-QJPTWQEYSA-N 2 2 267.352 0.807 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ncnn3CCF)C[C@H]21 ZINC000647907636 390214069 /nfs/dbraw/zinc/21/40/69/390214069.db2.gz OKWATUFJCUMRIR-QJPTWQEYSA-N 2 2 267.352 0.807 20 0 CCADLP CC[C@@H]1C[N@H+](CCCCS(C)(=O)=O)CC[C@H]1[NH3+] ZINC000647936623 390222966 /nfs/dbraw/zinc/22/29/66/390222966.db2.gz IMMRIMQVHSCJEQ-VXGBXAGGSA-N 2 2 262.419 0.870 20 0 CCADLP CC[C@@H]1C[N@@H+](CCCCS(C)(=O)=O)CC[C@H]1[NH3+] ZINC000647936623 390222967 /nfs/dbraw/zinc/22/29/67/390222967.db2.gz IMMRIMQVHSCJEQ-VXGBXAGGSA-N 2 2 262.419 0.870 20 0 CCADLP CC(C)C(=O)N1CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000647962334 390229578 /nfs/dbraw/zinc/22/95/78/390229578.db2.gz ZEYPWIXHHFIHQW-HNNXBMFYSA-N 2 2 299.459 0.878 20 0 CCADLP CC(C)C(=O)N1CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000647962334 390229583 /nfs/dbraw/zinc/22/95/83/390229583.db2.gz ZEYPWIXHHFIHQW-HNNXBMFYSA-N 2 2 299.459 0.878 20 0 CCADLP CC(C)C(=O)N1CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)CC1 ZINC000647962334 390229585 /nfs/dbraw/zinc/22/95/85/390229585.db2.gz ZEYPWIXHHFIHQW-HNNXBMFYSA-N 2 2 299.459 0.878 20 0 CCADLP CC(C)C(=O)N1CCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)CC1 ZINC000647962334 390229587 /nfs/dbraw/zinc/22/95/87/390229587.db2.gz ZEYPWIXHHFIHQW-HNNXBMFYSA-N 2 2 299.459 0.878 20 0 CCADLP CNC(=O)CCC[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000579609117 390191619 /nfs/dbraw/zinc/19/16/19/390191619.db2.gz NVBGERDCNCOYFE-LSDHHAIUSA-N 2 2 296.459 0.470 20 0 CCADLP CNC(=O)CCC[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000579609117 390191623 /nfs/dbraw/zinc/19/16/23/390191623.db2.gz NVBGERDCNCOYFE-LSDHHAIUSA-N 2 2 296.459 0.470 20 0 CCADLP CN(C)C(=O)c1ccc(NC(=O)C[N@H+](C)CCC[NH3+])cc1 ZINC000647849570 390192488 /nfs/dbraw/zinc/19/24/88/390192488.db2.gz YLABSJUIPJKIEW-UHFFFAOYSA-N 2 2 292.383 0.608 20 0 CCADLP CN(C)C(=O)c1ccc(NC(=O)C[N@@H+](C)CCC[NH3+])cc1 ZINC000647849570 390192490 /nfs/dbraw/zinc/19/24/90/390192490.db2.gz YLABSJUIPJKIEW-UHFFFAOYSA-N 2 2 292.383 0.608 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494702368 390194792 /nfs/dbraw/zinc/19/47/92/390194792.db2.gz IIEOUYYGEZQHGZ-QWHCGFSZSA-N 2 2 269.389 0.356 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494702368 390194797 /nfs/dbraw/zinc/19/47/97/390194797.db2.gz IIEOUYYGEZQHGZ-QWHCGFSZSA-N 2 2 269.389 0.356 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000647962512 390229799 /nfs/dbraw/zinc/22/97/99/390229799.db2.gz BHFISWFSDUIZFI-HNNXBMFYSA-N 2 2 297.443 0.774 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000647962512 390229802 /nfs/dbraw/zinc/22/98/02/390229802.db2.gz BHFISWFSDUIZFI-HNNXBMFYSA-N 2 2 297.443 0.774 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+](CCc2cn[nH]n2)CC1 ZINC000647963919 390231464 /nfs/dbraw/zinc/23/14/64/390231464.db2.gz IJDXVDPATDGPQG-UHFFFAOYSA-N 2 2 267.377 0.126 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+](CCc2cn[nH]n2)CC1 ZINC000647963919 390231465 /nfs/dbraw/zinc/23/14/65/390231465.db2.gz IJDXVDPATDGPQG-UHFFFAOYSA-N 2 2 267.377 0.126 20 0 CCADLP CC(C)C(=O)NCC[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000647969909 390234329 /nfs/dbraw/zinc/23/43/29/390234329.db2.gz XQIHYVYKYCAECA-CYBMUJFWSA-N 2 2 273.421 0.392 20 0 CCADLP CC(C)C(=O)NCC[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000647969909 390234331 /nfs/dbraw/zinc/23/43/31/390234331.db2.gz XQIHYVYKYCAECA-CYBMUJFWSA-N 2 2 273.421 0.392 20 0 CCADLP CC(C)C(=O)NCC[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000647969909 390234333 /nfs/dbraw/zinc/23/43/33/390234333.db2.gz XQIHYVYKYCAECA-CYBMUJFWSA-N 2 2 273.421 0.392 20 0 CCADLP CC(C)C(=O)NCC[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000647969909 390234336 /nfs/dbraw/zinc/23/43/36/390234336.db2.gz XQIHYVYKYCAECA-CYBMUJFWSA-N 2 2 273.421 0.392 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N(C)CCC[NH+](C)C ZINC000541822903 390247814 /nfs/dbraw/zinc/24/78/14/390247814.db2.gz VTRCFVZXVQMYQM-ZDUSSCGKSA-N 2 2 286.420 0.300 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N(C)CCC[NH+](C)C ZINC000541822903 390247816 /nfs/dbraw/zinc/24/78/16/390247816.db2.gz VTRCFVZXVQMYQM-ZDUSSCGKSA-N 2 2 286.420 0.300 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+][C@@H]2CCC[N@@H+](C)C2)no1 ZINC000644547834 390250358 /nfs/dbraw/zinc/25/03/58/390250358.db2.gz AAZZANSDBTWFKY-LLVKDONJSA-N 2 2 266.345 0.417 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+][C@@H]2CCC[N@H+](C)C2)no1 ZINC000644547834 390250361 /nfs/dbraw/zinc/25/03/61/390250361.db2.gz AAZZANSDBTWFKY-LLVKDONJSA-N 2 2 266.345 0.417 20 0 CCADLP CCOCC[C@@H](O)C[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000644556963 390251973 /nfs/dbraw/zinc/25/19/73/390251973.db2.gz VUIIYCXJIZRXLB-UONOGXRCSA-N 2 2 256.390 0.848 20 0 CCADLP CCOCC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000644556963 390251975 /nfs/dbraw/zinc/25/19/75/390251975.db2.gz VUIIYCXJIZRXLB-UONOGXRCSA-N 2 2 256.390 0.848 20 0 CCADLP C[C@@H](C[NH2+]CC(C)(C)N1CC[NH+](C)CC1)S(C)(=O)=O ZINC000644562422 390254199 /nfs/dbraw/zinc/25/41/99/390254199.db2.gz QLUWEFRMHAZBLH-LBPRGKRZSA-N 2 2 291.461 0.035 20 0 CCADLP CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)CC ZINC000582070194 390258160 /nfs/dbraw/zinc/25/81/60/390258160.db2.gz BTZFHRDKEVBVGI-UONOGXRCSA-N 2 2 285.432 0.632 20 0 CCADLP CCN(CC)C(=O)[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)CC ZINC000582070194 390258167 /nfs/dbraw/zinc/25/81/67/390258167.db2.gz BTZFHRDKEVBVGI-UONOGXRCSA-N 2 2 285.432 0.632 20 0 CCADLP CCN(CC)C(=O)[C@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)CC ZINC000582070194 390258170 /nfs/dbraw/zinc/25/81/70/390258170.db2.gz BTZFHRDKEVBVGI-UONOGXRCSA-N 2 2 285.432 0.632 20 0 CCADLP CCN(CC)C(=O)[C@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)CC ZINC000582070194 390258175 /nfs/dbraw/zinc/25/81/75/390258175.db2.gz BTZFHRDKEVBVGI-UONOGXRCSA-N 2 2 285.432 0.632 20 0 CCADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000648039758 390260239 /nfs/dbraw/zinc/26/02/39/390260239.db2.gz SVQGJNQROZIOKN-ZIAGYGMSSA-N 2 2 293.415 0.361 20 0 CCADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000648039758 390260243 /nfs/dbraw/zinc/26/02/43/390260243.db2.gz SVQGJNQROZIOKN-ZIAGYGMSSA-N 2 2 293.415 0.361 20 0 CCADLP Cc1cc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)ncn1 ZINC000644608775 390266265 /nfs/dbraw/zinc/26/62/65/390266265.db2.gz LSLICZKGQKUZCU-CYBMUJFWSA-N 2 2 250.346 0.330 20 0 CCADLP Cc1cc(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)ncn1 ZINC000644608775 390266267 /nfs/dbraw/zinc/26/62/67/390266267.db2.gz LSLICZKGQKUZCU-CYBMUJFWSA-N 2 2 250.346 0.330 20 0 CCADLP C[C@H]1CN(CC[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)CCO1 ZINC000582189295 390268472 /nfs/dbraw/zinc/26/84/72/390268472.db2.gz LTJKMXWJODWRIO-KBPBESRZSA-N 2 2 278.400 0.930 20 0 CCADLP C[C@H]1CN(CC[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)CCO1 ZINC000582189295 390268475 /nfs/dbraw/zinc/26/84/75/390268475.db2.gz 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255.362 0.852 20 0 CCADLP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CN(C)C(=O)O2)CC[NH+]1C ZINC000496559199 390354955 /nfs/dbraw/zinc/35/49/55/390354955.db2.gz OOKBKUZUMKIUPR-WOPDTQHZSA-N 2 2 255.362 0.852 20 0 CCADLP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CN(C)C(=O)O2)CC[NH+]1C ZINC000496559199 390354956 /nfs/dbraw/zinc/35/49/56/390354956.db2.gz OOKBKUZUMKIUPR-WOPDTQHZSA-N 2 2 255.362 0.852 20 0 CCADLP CCCN(C(=O)NCC[NH+]1CCOCC1)[C@H]1CC[N@H+](C)C1 ZINC000645102377 390371495 /nfs/dbraw/zinc/37/14/95/390371495.db2.gz NWLMHMWPQZPPIA-AWEZNQCLSA-N 2 2 298.431 0.444 20 0 CCADLP CCCN(C(=O)NCC[NH+]1CCOCC1)[C@H]1CC[N@@H+](C)C1 ZINC000645102377 390371497 /nfs/dbraw/zinc/37/14/97/390371497.db2.gz NWLMHMWPQZPPIA-AWEZNQCLSA-N 2 2 298.431 0.444 20 0 CCADLP COC(=O)[C@](C)([NH2+]CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000554817631 390442185 /nfs/dbraw/zinc/44/21/85/390442185.db2.gz FQQJQIDMZBDANV-OAHLLOKOSA-N 2 2 297.399 0.082 20 0 CCADLP CN1CC[NH+]([C@@H](CNC(=O)CC[NH3+])c2cccs2)CC1 ZINC000554295677 390424164 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CC[C@@H](O)C[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000518560135 390493833 /nfs/dbraw/zinc/49/38/33/390493833.db2.gz RQVLBMPTZOEOKG-TZMCWYRMSA-N 2 2 256.390 0.942 20 0 CCADLP CC[C@@H](O)C[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000518560135 390493835 /nfs/dbraw/zinc/49/38/35/390493835.db2.gz RQVLBMPTZOEOKG-TZMCWYRMSA-N 2 2 256.390 0.942 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000649130454 390495579 /nfs/dbraw/zinc/49/55/79/390495579.db2.gz HKVDQRROEXGYKO-UHFFFAOYSA-N 2 2 292.383 0.286 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)c1conc1C(C)(C)[NH3+] ZINC000565314678 390502381 /nfs/dbraw/zinc/50/23/81/390502381.db2.gz PFFNHORKQBMDGI-SNVBAGLBSA-N 2 2 296.371 0.319 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)c1conc1C(C)(C)[NH3+] ZINC000565314678 390502385 /nfs/dbraw/zinc/50/23/85/390502385.db2.gz PFFNHORKQBMDGI-SNVBAGLBSA-N 2 2 296.371 0.319 20 0 CCADLP CCCCOCCCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000565411495 390510605 /nfs/dbraw/zinc/51/06/05/390510605.db2.gz 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390592499 /nfs/dbraw/zinc/59/24/99/390592499.db2.gz WPSDOSRSDJCCKL-AWEZNQCLSA-N 2 2 294.443 0.354 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH+]1CCO[C@H](C)C1 ZINC000520737843 390588217 /nfs/dbraw/zinc/58/82/17/390588217.db2.gz UNVONXXFVYAGLR-GFCCVEGCSA-N 2 2 257.378 0.165 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH+]1CCO[C@H](C)C1 ZINC000520737843 390588218 /nfs/dbraw/zinc/58/82/18/390588218.db2.gz UNVONXXFVYAGLR-GFCCVEGCSA-N 2 2 257.378 0.165 20 0 CCADLP CCC[NH+](C)CC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000520737843 390588220 /nfs/dbraw/zinc/58/82/20/390588220.db2.gz UNVONXXFVYAGLR-GFCCVEGCSA-N 2 2 257.378 0.165 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000649209440 390523498 /nfs/dbraw/zinc/52/34/98/390523498.db2.gz ZXVPSKLBAMRGAE-RYUDHWBXSA-N 2 2 273.340 0.847 20 0 CCADLP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000649210136 390524646 /nfs/dbraw/zinc/52/46/46/390524646.db2.gz NWFLJKJGUUPPQE-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000649210136 390524648 /nfs/dbraw/zinc/52/46/48/390524648.db2.gz NWFLJKJGUUPPQE-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP O=C(NCC[N@@H+]1CCCOCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649217026 390526452 /nfs/dbraw/zinc/52/64/52/390526452.db2.gz SMWIKKMVGXSLHM-CYBMUJFWSA-N 2 2 292.383 0.284 20 0 CCADLP O=C(NCC[N@H+]1CCCOCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649217026 390526458 /nfs/dbraw/zinc/52/64/58/390526458.db2.gz SMWIKKMVGXSLHM-CYBMUJFWSA-N 2 2 292.383 0.284 20 0 CCADLP O=C(N[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649220432 390527769 /nfs/dbraw/zinc/52/77/69/390527769.db2.gz YNWMQSXVOCCMOR-VXGBXAGGSA-N 2 2 285.351 0.773 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000519705504 390530687 /nfs/dbraw/zinc/53/06/87/390530687.db2.gz IFWVLLXXWMBFIT-JTQLQIEISA-N 2 2 295.387 0.349 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000519705504 390530693 /nfs/dbraw/zinc/53/06/93/390530693.db2.gz IFWVLLXXWMBFIT-JTQLQIEISA-N 2 2 295.387 0.349 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000649278802 390545244 /nfs/dbraw/zinc/54/52/44/390545244.db2.gz CQDRLYYPHWDKCL-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[NH+]1CCOCC1 ZINC000649284987 390550640 /nfs/dbraw/zinc/55/06/40/390550640.db2.gz QKAVPRNVRTYFSU-YIYPIFLZSA-N 2 2 281.400 0.210 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@]3(C)CC[NH2+]C3)C2)CC1 ZINC000645978240 390556913 /nfs/dbraw/zinc/55/69/13/390556913.db2.gz ZDMRUMHNMZETKA-BBRMVZONSA-N 3 2 294.443 0.271 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@]3(C)CC[NH2+]C3)C2)CC1 ZINC000645978240 390556915 /nfs/dbraw/zinc/55/69/15/390556915.db2.gz ZDMRUMHNMZETKA-BBRMVZONSA-N 3 2 294.443 0.271 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C[NH+]2CCC(C)(C)C2)CCO1 ZINC000566018989 390568818 /nfs/dbraw/zinc/56/88/18/390568818.db2.gz VRWVBIWQIIOBFM-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C[NH+]2CCC(C)(C)C2)CCO1 ZINC000566018989 390568819 /nfs/dbraw/zinc/56/88/19/390568819.db2.gz VRWVBIWQIIOBFM-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)C[N@@H+]2CCC(C)(C)C2)CCO1 ZINC000566018989 390568821 /nfs/dbraw/zinc/56/88/21/390568821.db2.gz VRWVBIWQIIOBFM-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP COc1cccc(C[C@@H](C)[NH2+]C[C@H]2C[NH2+]CCO2)n1 ZINC000566785600 390646784 /nfs/dbraw/zinc/64/67/84/390646784.db2.gz ZDLZCRKXXXFEHQ-DGCLKSJQSA-N 2 2 265.357 0.599 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000646253012 390650186 /nfs/dbraw/zinc/65/01/86/390650186.db2.gz HNFDEWWOVSHXHQ-LBPRGKRZSA-N 2 2 250.346 0.731 20 0 CCADLP COC[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000250360055 285383332 /nfs/dbraw/zinc/38/33/32/285383332.db2.gz BWPVJRGDKHKQNY-KBPBESRZSA-N 2 2 277.368 0.475 20 0 CCADLP COC[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000250360055 285383333 /nfs/dbraw/zinc/38/33/33/285383333.db2.gz BWPVJRGDKHKQNY-KBPBESRZSA-N 2 2 277.368 0.475 20 0 CCADLP [NH3+][C@H](CC(F)F)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000646264999 390654160 /nfs/dbraw/zinc/65/41/60/390654160.db2.gz IHDGAXMLAXJMCT-NXEZZACHSA-N 2 2 284.310 0.759 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649339872 390594302 /nfs/dbraw/zinc/59/43/02/390594302.db2.gz IJIMXSUIXRCXLS-UTUOFQBUSA-N 2 2 262.357 0.906 20 0 CCADLP CCCCNC(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102450 390598267 /nfs/dbraw/zinc/59/82/67/390598267.db2.gz KATZHYIKWBZWPR-UHFFFAOYSA-N 2 2 283.416 0.699 20 0 CCADLP CCCCNC(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102450 390598270 /nfs/dbraw/zinc/59/82/70/390598270.db2.gz KATZHYIKWBZWPR-UHFFFAOYSA-N 2 2 283.416 0.699 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000646138222 390616280 /nfs/dbraw/zinc/61/62/80/390616280.db2.gz GRADPKYIHVGOSM-CYBMUJFWSA-N 2 2 290.367 0.665 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CC2(S(C)(=O)=O)CC2)n1C ZINC000567522371 390702921 /nfs/dbraw/zinc/70/29/21/390702921.db2.gz NNGDFMAMOLTINL-UHFFFAOYSA-N 2 2 257.359 0.395 20 0 CCADLP O=C(NC[C@@H]1CCCC[NH2+]1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000646652125 390704256 /nfs/dbraw/zinc/70/42/56/390704256.db2.gz AASVKIUUFQFXKH-DZGCQCFKSA-N 2 2 295.427 0.888 20 0 CCADLP O=C(NC[C@@H]1CCCC[NH2+]1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000646652125 390704258 /nfs/dbraw/zinc/70/42/58/390704258.db2.gz AASVKIUUFQFXKH-DZGCQCFKSA-N 2 2 295.427 0.888 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000568193633 390712916 /nfs/dbraw/zinc/71/29/16/390712916.db2.gz OTDPXZAHFPWGJQ-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000568193633 390712918 /nfs/dbraw/zinc/71/29/18/390712918.db2.gz OTDPXZAHFPWGJQ-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP C[C@@H](CC(=O)N[C@H](CO)C[NH+]1CCCCC1)n1cc[nH+]c1 ZINC000570167762 390717340 /nfs/dbraw/zinc/71/73/40/390717340.db2.gz KCYTWCGVEMDEML-KBPBESRZSA-N 2 2 294.399 0.797 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccncc2Cl)C1 ZINC000527692222 390719332 /nfs/dbraw/zinc/71/93/32/390719332.db2.gz MQOSGYUIQUQCGT-LBPRGKRZSA-N 2 2 255.749 0.891 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccncc2Cl)C1 ZINC000527692222 390719334 /nfs/dbraw/zinc/71/93/34/390719334.db2.gz MQOSGYUIQUQCGT-LBPRGKRZSA-N 2 2 255.749 0.891 20 0 CCADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)CC[NH2+]C(C)C)C2)CC1 ZINC000570925586 390724340 /nfs/dbraw/zinc/72/43/40/390724340.db2.gz BTQISCLIJQORHA-OAHLLOKOSA-N 2 2 296.459 0.613 20 0 CCADLP CCCC[C@@H](C[NH3+])NC(=O)[C@H]([NH3+])c1cscn1 ZINC000646837252 390726557 /nfs/dbraw/zinc/72/65/57/390726557.db2.gz NFBFEAFQMJXAIN-WCBMZHEXSA-N 2 2 256.375 0.777 20 0 CCADLP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000646368460 390673616 /nfs/dbraw/zinc/67/36/16/390673616.db2.gz GESBHNCPLAQNHL-CHWSQXEVSA-N 2 2 297.362 0.949 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000567246812 390683451 /nfs/dbraw/zinc/68/34/51/390683451.db2.gz WHARXICELAJLKW-KGLIPLIRSA-N 2 2 299.459 0.926 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000567246812 390683454 /nfs/dbraw/zinc/68/34/54/390683454.db2.gz WHARXICELAJLKW-KGLIPLIRSA-N 2 2 299.459 0.926 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000567246812 390683456 /nfs/dbraw/zinc/68/34/56/390683456.db2.gz WHARXICELAJLKW-KGLIPLIRSA-N 2 2 299.459 0.926 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000567246812 390683459 /nfs/dbraw/zinc/68/34/59/390683459.db2.gz WHARXICELAJLKW-KGLIPLIRSA-N 2 2 299.459 0.926 20 0 CCADLP CC[N@H+](CC(=O)N1CC(CN2CC[NH+](C)CC2)C1)C1CC1 ZINC000646460405 390686202 /nfs/dbraw/zinc/68/62/02/390686202.db2.gz FSIYJOLLHKQOIE-UHFFFAOYSA-N 2 2 294.443 0.177 20 0 CCADLP CC[N@@H+](CC(=O)N1CC(CN2CC[NH+](C)CC2)C1)C1CC1 ZINC000646460405 390686204 /nfs/dbraw/zinc/68/62/04/390686204.db2.gz FSIYJOLLHKQOIE-UHFFFAOYSA-N 2 2 294.443 0.177 20 0 CCADLP COC[C@@H](C)C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000527116506 390693043 /nfs/dbraw/zinc/69/30/43/390693043.db2.gz VBOZJGYGVBVPID-ZDUSSCGKSA-N 2 2 293.415 0.947 20 0 CCADLP C[N@@H+]1CCc2nc(NC(=O)COC3C[NH2+]C3)sc2C1 ZINC000572116050 390768473 /nfs/dbraw/zinc/76/84/73/390768473.db2.gz ILEIWFQUDUMUIN-UHFFFAOYSA-N 2 2 282.369 0.058 20 0 CCADLP C[N@H+]1CCc2nc(NC(=O)COC3C[NH2+]C3)sc2C1 ZINC000572116050 390768476 /nfs/dbraw/zinc/76/84/76/390768476.db2.gz ILEIWFQUDUMUIN-UHFFFAOYSA-N 2 2 282.369 0.058 20 0 CCADLP CCOC[C@H](O)C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528729425 390772179 /nfs/dbraw/zinc/77/21/79/390772179.db2.gz SXPYUQBGGFEXBU-CQSZACIVSA-N 2 2 286.416 0.571 20 0 CCADLP CCSCC[C@H](C)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000572346970 390778654 /nfs/dbraw/zinc/77/86/54/390778654.db2.gz JUQDDQRRJZFPOZ-RYUDHWBXSA-N 2 2 288.461 0.802 20 0 CCADLP CCSCC[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000572346970 390778656 /nfs/dbraw/zinc/77/86/56/390778656.db2.gz JUQDDQRRJZFPOZ-RYUDHWBXSA-N 2 2 288.461 0.802 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528790456 390779055 /nfs/dbraw/zinc/77/90/55/390779055.db2.gz XNHCALXAQJPLSE-SSHHRWTQSA-N 2 2 288.457 0.673 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528790456 390779057 /nfs/dbraw/zinc/77/90/57/390779057.db2.gz XNHCALXAQJPLSE-SSHHRWTQSA-N 2 2 288.457 0.673 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528790456 390779059 /nfs/dbraw/zinc/77/90/59/390779059.db2.gz XNHCALXAQJPLSE-SSHHRWTQSA-N 2 2 288.457 0.673 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528790456 390779060 /nfs/dbraw/zinc/77/90/60/390779060.db2.gz XNHCALXAQJPLSE-SSHHRWTQSA-N 2 2 288.457 0.673 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC000528862672 390781808 /nfs/dbraw/zinc/78/18/08/390781808.db2.gz AYGJQDGHWYWMBL-CYBMUJFWSA-N 2 2 280.372 0.107 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CO1 ZINC000647178041 390782956 /nfs/dbraw/zinc/78/29/56/390782956.db2.gz XWHLVFQQSYPGIZ-RDBSUJKOSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CO1 ZINC000647178041 390782959 /nfs/dbraw/zinc/78/29/59/390782959.db2.gz XWHLVFQQSYPGIZ-RDBSUJKOSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCC(F)(F)[C@H]1O ZINC000572474059 390784528 /nfs/dbraw/zinc/78/45/28/390784528.db2.gz JPWRMPMAHYTPQM-KKOKHZNYSA-N 2 2 278.343 0.892 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](OCCOC)C1 ZINC000572614149 390792781 /nfs/dbraw/zinc/79/27/81/390792781.db2.gz YDVMCQJQZKHBON-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](OCCOC)C1 ZINC000572614149 390792783 /nfs/dbraw/zinc/79/27/83/390792783.db2.gz YDVMCQJQZKHBON-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](OCCOC)C1 ZINC000572614149 390792784 /nfs/dbraw/zinc/79/27/84/390792784.db2.gz YDVMCQJQZKHBON-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](OCCOC)C1 ZINC000572614149 390792785 /nfs/dbraw/zinc/79/27/85/390792785.db2.gz YDVMCQJQZKHBON-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000529189826 390797369 /nfs/dbraw/zinc/79/73/69/390797369.db2.gz KYXQFNAAHAYKFR-OLZOCXBDSA-N 2 2 280.347 0.836 20 0 CCADLP COc1c(N)[nH+]cnc1N1CCC[C@H]([NH+](C)C)CC1 ZINC000571537861 390741082 /nfs/dbraw/zinc/74/10/82/390741082.db2.gz MCKHSXDRUARYGM-JTQLQIEISA-N 2 2 265.361 0.988 20 0 CCADLP COc1c(N)nc[nH+]c1N1CCC[C@H]([NH+](C)C)CC1 ZINC000571537861 390741085 /nfs/dbraw/zinc/74/10/85/390741085.db2.gz MCKHSXDRUARYGM-JTQLQIEISA-N 2 2 265.361 0.988 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000578080732 390863575 /nfs/dbraw/zinc/86/35/75/390863575.db2.gz AEASRVGAWVSWNT-GFCCVEGCSA-N 2 2 285.351 0.970 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000578080732 390863578 /nfs/dbraw/zinc/86/35/78/390863578.db2.gz AEASRVGAWVSWNT-GFCCVEGCSA-N 2 2 285.351 0.970 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000529328622 390809682 /nfs/dbraw/zinc/80/96/82/390809682.db2.gz FHCUQKIXRSDJAL-GFCCVEGCSA-N 2 2 277.372 0.546 20 0 CCADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000574916892 390825022 /nfs/dbraw/zinc/82/50/22/390825022.db2.gz KGDYTMYEWAIENJ-QWHCGFSZSA-N 2 2 286.347 0.078 20 0 CCADLP C[C@]1(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)CC[NH2+]C1 ZINC000647518116 390829828 /nfs/dbraw/zinc/82/98/28/390829828.db2.gz FOOCYKFJNSLHHA-MCIONIFRSA-N 2 2 254.374 0.866 20 0 CCADLP C[C@]1(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)CC[NH2+]C1 ZINC000647518116 390829831 /nfs/dbraw/zinc/82/98/31/390829831.db2.gz FOOCYKFJNSLHHA-MCIONIFRSA-N 2 2 254.374 0.866 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]C[C@@H](O)Cc1ccccc1)C1CC1 ZINC000647522271 390830685 /nfs/dbraw/zinc/83/06/85/390830685.db2.gz NNJMUHJYKGJBIV-JKSUJKDBSA-N 2 2 278.396 0.635 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H](O)Cc1ccccc1)C1CC1 ZINC000647522271 390830692 /nfs/dbraw/zinc/83/06/92/390830692.db2.gz NNJMUHJYKGJBIV-JKSUJKDBSA-N 2 2 278.396 0.635 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCC2(CO)CC2)C[C@@H](C)O1 ZINC000647530320 390834545 /nfs/dbraw/zinc/83/45/45/390834545.db2.gz SDILYCGOGFLPSH-MCIONIFRSA-N 2 2 286.416 0.209 20 0 CCADLP C[N@@H+]1CCN(Cc2cnc3ccccn23)[C@@H](C[NH3+])C1 ZINC000647539204 390837331 /nfs/dbraw/zinc/83/73/31/390837331.db2.gz FJMMULASZGNAMV-LBPRGKRZSA-N 2 2 259.357 0.409 20 0 CCADLP C[N@H+]1CCN(Cc2cnc3ccccn23)[C@@H](C[NH3+])C1 ZINC000647539204 390837333 /nfs/dbraw/zinc/83/73/33/390837333.db2.gz FJMMULASZGNAMV-LBPRGKRZSA-N 2 2 259.357 0.409 20 0 CCADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000647546774 390839298 /nfs/dbraw/zinc/83/92/98/390839298.db2.gz AUQRSQZBTVEJFE-SRVKXCTJSA-N 3 2 294.365 0.410 20 0 CCADLP O=C(NCC1CC[NH2+]CC1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000577868301 390849934 /nfs/dbraw/zinc/84/99/34/390849934.db2.gz HZYPXADYROKBIM-OAHLLOKOSA-N 2 2 295.427 0.746 20 0 CCADLP O=C(NCC1CC[NH2+]CC1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000577868301 390849937 /nfs/dbraw/zinc/84/99/37/390849937.db2.gz HZYPXADYROKBIM-OAHLLOKOSA-N 2 2 295.427 0.746 20 0 CCADLP CC(C)[NH2+]CC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000577868208 390850184 /nfs/dbraw/zinc/85/01/84/390850184.db2.gz ZVHCRKRSHBHKGW-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP COCC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000578447867 390884985 /nfs/dbraw/zinc/88/49/85/390884985.db2.gz YQDZDPGWTYNEPW-UHFFFAOYSA-N 2 2 271.405 0.019 20 0 CCADLP COCC[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000578447867 390884988 /nfs/dbraw/zinc/88/49/88/390884988.db2.gz YQDZDPGWTYNEPW-UHFFFAOYSA-N 2 2 271.405 0.019 20 0 CCADLP C[NH+]1CCN(CCNc2nc(N)c3ccccc3[nH+]2)CC1 ZINC000534272605 390890058 /nfs/dbraw/zinc/89/00/58/390890058.db2.gz MYRBAWQOUCGJKK-UHFFFAOYSA-N 2 2 286.383 0.124 20 0 CCADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Cn1cc[nH+]c1 ZINC000578827646 390903412 /nfs/dbraw/zinc/90/34/12/390903412.db2.gz DFHPSKJUGYMOCQ-ZDUSSCGKSA-N 2 2 279.388 0.025 20 0 CCADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)Cn1cc[nH+]c1 ZINC000578827646 390903414 /nfs/dbraw/zinc/90/34/14/390903414.db2.gz DFHPSKJUGYMOCQ-ZDUSSCGKSA-N 2 2 279.388 0.025 20 0 CCADLP Cc1ccc(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])s1 ZINC000578867860 390905292 /nfs/dbraw/zinc/90/52/92/390905292.db2.gz GGKMEMKQKSXPRG-LLVKDONJSA-N 2 2 267.398 0.700 20 0 CCADLP Cc1ccc(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])s1 ZINC000578867860 390905294 /nfs/dbraw/zinc/90/52/94/390905294.db2.gz GGKMEMKQKSXPRG-LLVKDONJSA-N 2 2 267.398 0.700 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+]CC(=O)N(C)C)CC1 ZINC000361419484 533380833 /nfs/dbraw/zinc/38/08/33/533380833.db2.gz CYUBPAUEAXFSAJ-UHFFFAOYSA-N 2 2 285.388 0.082 20 0 CCADLP COc1cccc(/C=C/C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000493643701 533384751 /nfs/dbraw/zinc/38/47/51/533384751.db2.gz CGCKOPVZBMBEIM-UZYOAWRESA-N 2 2 289.379 0.810 20 0 CCADLP COc1cccc(/C=C/C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000493643701 533384755 /nfs/dbraw/zinc/38/47/55/533384755.db2.gz CGCKOPVZBMBEIM-UZYOAWRESA-N 2 2 289.379 0.810 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000331934487 533530666 /nfs/dbraw/zinc/53/06/66/533530666.db2.gz HVKUODXYHYJJFC-RYUDHWBXSA-N 2 2 285.388 0.080 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000331934487 533530670 /nfs/dbraw/zinc/53/06/70/533530670.db2.gz HVKUODXYHYJJFC-RYUDHWBXSA-N 2 2 285.388 0.080 20 0 CCADLP COC(=O)COC[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000449196420 533551334 /nfs/dbraw/zinc/55/13/34/533551334.db2.gz SBZLWSSCKPOGHZ-NTZNESFSSA-N 2 2 270.373 0.637 20 0 CCADLP COC(=O)COC[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000449196420 533551336 /nfs/dbraw/zinc/55/13/36/533551336.db2.gz SBZLWSSCKPOGHZ-NTZNESFSSA-N 2 2 270.373 0.637 20 0 CCADLP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492773750 533644689 /nfs/dbraw/zinc/64/46/89/533644689.db2.gz VQOWACSSFHDNQG-AAOUONPWSA-N 2 2 292.383 0.727 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492773750 533644693 /nfs/dbraw/zinc/64/46/93/533644693.db2.gz VQOWACSSFHDNQG-AAOUONPWSA-N 2 2 292.383 0.727 20 0 CCADLP CC[NH+]1CCN(CC(=O)N2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000341783035 130044353 /nfs/dbraw/zinc/04/43/53/130044353.db2.gz UMCQWHGCSFJVBH-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP CC[NH+]1CCN(CC(=O)N2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000341783035 130044356 /nfs/dbraw/zinc/04/43/56/130044356.db2.gz UMCQWHGCSFJVBH-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP CNS(=O)(=O)CC[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000190314843 130088017 /nfs/dbraw/zinc/08/80/17/130088017.db2.gz BZXKFXAKBXODQR-UHFFFAOYSA-N 2 2 282.369 0.282 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCCC[NH+]1CCCC1 ZINC000353676119 130224849 /nfs/dbraw/zinc/22/48/49/130224849.db2.gz NBZYCJDSJJYURO-UHFFFAOYSA-N 2 2 264.373 0.955 20 0 CCADLP [NH3+]C1(C[NH2+]Cc2cc(=O)n3ccccc3n2)CCC1 ZINC000342125386 130283670 /nfs/dbraw/zinc/28/36/70/130283670.db2.gz DSFPBTQAZDGBNV-UHFFFAOYSA-N 2 2 258.325 0.666 20 0 CCADLP [NH3+]C1(C[NH2+]CC(=O)NC(C2CC2)C2CC2)CCC1 ZINC000342144014 130334949 /nfs/dbraw/zinc/33/49/49/130334949.db2.gz WNOPTKOCOJJQMT-UHFFFAOYSA-N 2 2 251.374 0.762 20 0 CCADLP C[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000237402316 131027731 /nfs/dbraw/zinc/02/77/31/131027731.db2.gz YXFDNIDVEQOHAZ-JSGCOSHPSA-N 2 2 277.368 0.351 20 0 CCADLP C[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000237402316 131027732 /nfs/dbraw/zinc/02/77/32/131027732.db2.gz YXFDNIDVEQOHAZ-JSGCOSHPSA-N 2 2 277.368 0.351 20 0 CCADLP C[C@@H](CNC(=O)C[NH2+]C[C@H]1CCCO1)Cn1cc[nH+]c1 ZINC000237547241 131040544 /nfs/dbraw/zinc/04/05/44/131040544.db2.gz KBLUTPJKDFWVNF-QWHCGFSZSA-N 2 2 280.372 0.404 20 0 CCADLP O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CCC[NH2+]CC1 ZINC000237875638 131062820 /nfs/dbraw/zinc/06/28/20/131062820.db2.gz UMNHKONRATXWDZ-UHFFFAOYSA-N 2 2 271.324 0.703 20 0 CCADLP O=C(NCCCCNc1cccc[nH+]1)[C@@H]1COCC[NH2+]1 ZINC000238019535 131072847 /nfs/dbraw/zinc/07/28/47/131072847.db2.gz NMRDBYBBIDGZAD-LBPRGKRZSA-N 2 2 278.356 0.378 20 0 CCADLP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CC[NH+](CCO)CC1 ZINC000252455241 131134960 /nfs/dbraw/zinc/13/49/60/131134960.db2.gz QAJBMSXENMVRGU-MJBXVCDLSA-N 2 2 281.400 0.044 20 0 CCADLP CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000252955144 131139538 /nfs/dbraw/zinc/13/95/38/131139538.db2.gz IGHGYRAAEMJQDZ-AVGNSLFASA-N 2 2 271.405 0.648 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)C[C@H]3COCC[NH2+]3)cn2c1 ZINC000262416654 131219592 /nfs/dbraw/zinc/21/95/92/131219592.db2.gz RHCNKKWCPPWQSH-LBPRGKRZSA-N 2 2 288.351 0.637 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CC[C@H]([NH3+])C1)Cn1cc[nH+]c1 ZINC000262660417 131248559 /nfs/dbraw/zinc/24/85/59/131248559.db2.gz NMFKVVDQYSDNGK-WOPDTQHZSA-N 2 2 250.346 0.763 20 0 CCADLP O=C(C[NH2+]CC1CC1)NCc1ccn2cc[nH+]c2c1 ZINC000262676481 131249737 /nfs/dbraw/zinc/24/97/37/131249737.db2.gz SHXPIXXNPJFYJL-UHFFFAOYSA-N 2 2 258.325 0.950 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000262860086 131268758 /nfs/dbraw/zinc/26/87/58/131268758.db2.gz TYWUBNDTZWKSNP-YPMHNXCESA-N 2 2 285.351 0.995 20 0 CCADLP CC[C@H](C(=O)NCc1c[nH+]c(N(C)C)n1C)[NH+](C)C ZINC000268789423 132066466 /nfs/dbraw/zinc/06/64/66/132066466.db2.gz FZHRWEAGPQUKOG-LLVKDONJSA-N 2 2 267.377 0.443 20 0 CCADLP CC[NH2+]CCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000269152234 132121355 /nfs/dbraw/zinc/12/13/55/132121355.db2.gz QAUZJELQKANTCI-UHFFFAOYSA-N 2 2 291.395 0.858 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1COCC[NH2+]1)c1ccsc1 ZINC000269230882 132137590 /nfs/dbraw/zinc/13/75/90/132137590.db2.gz IKDGDKUFDLNSMN-NEPJUHHUSA-N 2 2 283.397 0.455 20 0 CCADLP Cc1cn2cc(NC(=O)[C@@H]3COCC[NH2+]3)ccc2[nH+]1 ZINC000269237814 132139634 /nfs/dbraw/zinc/13/96/34/132139634.db2.gz HUCXNPXIKYPVPX-NSHDSACASA-N 2 2 260.297 0.570 20 0 CCADLP C[C@@]1(C(=O)NCc2ccn3cc[nH+]c3c2)CC[NH2+]C1 ZINC000269248555 132141880 /nfs/dbraw/zinc/14/18/80/132141880.db2.gz FQEICVBOWOBEHM-CQSZACIVSA-N 2 2 258.325 0.950 20 0 CCADLP Cc1ccn2cc(CNC(=O)[C@H]3CC[NH2+]C3)[nH+]c2c1 ZINC000269257720 132144306 /nfs/dbraw/zinc/14/43/06/132144306.db2.gz ULIQLCBYEXLAJB-NSHDSACASA-N 2 2 258.325 0.868 20 0 CCADLP Cc1cc(CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cc(C)[nH+]1 ZINC000575121771 335069037 /nfs/dbraw/zinc/06/90/37/335069037.db2.gz FDCBPKJYWBSCRW-CYBMUJFWSA-N 2 2 290.367 0.183 20 0 CCADLP OC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CCC1 ZINC000658086370 413098339 /nfs/dbraw/zinc/09/83/39/413098339.db2.gz HXIALXZPNHJULQ-HUUCEWRRSA-N 2 2 268.401 0.990 20 0 CCADLP COCc1n[nH]c(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)n1 ZINC000658157691 413108395 /nfs/dbraw/zinc/10/83/95/413108395.db2.gz UPCCQKMLPHACDG-UTUOFQBUSA-N 2 2 279.388 0.914 20 0 CCADLP COCc1n[nH]c(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)n1 ZINC000658157691 413108399 /nfs/dbraw/zinc/10/83/99/413108399.db2.gz UPCCQKMLPHACDG-UTUOFQBUSA-N 2 2 279.388 0.914 20 0 CCADLP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NC[C@@H]1CCCO1 ZINC000037917677 397390571 /nfs/dbraw/zinc/39/05/71/397390571.db2.gz RJLUPNYGZHMXNS-KKUMJFAQSA-N 2 2 295.427 0.746 20 0 CCADLP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NC[C@@H]1CCCO1 ZINC000037917677 397390575 /nfs/dbraw/zinc/39/05/75/397390575.db2.gz RJLUPNYGZHMXNS-KKUMJFAQSA-N 2 2 295.427 0.746 20 0 CCADLP C[C@@H](NC(=O)N1CC[NH+](C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000356539570 144012523 /nfs/dbraw/zinc/01/25/23/144012523.db2.gz BOWNAERJPFGEMG-OLZOCXBDSA-N 2 2 284.404 0.053 20 0 CCADLP CC[NH+]1CCC([NH2+]CC(=O)NCc2ccco2)CC1 ZINC000356958612 144046299 /nfs/dbraw/zinc/04/62/99/144046299.db2.gz UMCMJEKJDWGVNC-UHFFFAOYSA-N 2 2 265.357 0.970 20 0 CCADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1CCC[NH+]1CCOCC1 ZINC000357059826 144055251 /nfs/dbraw/zinc/05/52/51/144055251.db2.gz BCDUMESLZSYASG-UONOGXRCSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1CCC[NH+]1CCOCC1 ZINC000357059826 144055253 /nfs/dbraw/zinc/05/52/53/144055253.db2.gz BCDUMESLZSYASG-UONOGXRCSA-N 2 2 255.406 0.733 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357085072 144058665 /nfs/dbraw/zinc/05/86/65/144058665.db2.gz QFJRZPHLACENMO-GJZGRUSLSA-N 2 2 297.443 0.707 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357085072 144058666 /nfs/dbraw/zinc/05/86/66/144058666.db2.gz QFJRZPHLACENMO-GJZGRUSLSA-N 2 2 297.443 0.707 20 0 CCADLP C(c1nnnn1C1CC1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357086473 144059421 /nfs/dbraw/zinc/05/94/21/144059421.db2.gz LWPUWWVLQYIOHG-GFCCVEGCSA-N 2 2 276.388 0.830 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)COC3C[NH2+]C3)cn2c1 ZINC000357127680 144063473 /nfs/dbraw/zinc/06/34/73/144063473.db2.gz FLISRADQNJZWFL-UHFFFAOYSA-N 2 2 274.324 0.247 20 0 CCADLP Cc1cccn2c(CN3CCO[C@@H](C[NH3+])C3)c[nH+]c12 ZINC000357964805 144138015 /nfs/dbraw/zinc/13/80/15/144138015.db2.gz JTZUBMBXHZXSEE-ZDUSSCGKSA-N 2 2 260.341 0.802 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC1CC[NH+](C)CC1 ZINC000358003659 144142024 /nfs/dbraw/zinc/14/20/24/144142024.db2.gz NPHBHBUAJGOPAB-UHFFFAOYSA-N 2 2 251.334 0.314 20 0 CCADLP COCC(=O)N1CCC([NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000358018308 144142355 /nfs/dbraw/zinc/14/23/55/144142355.db2.gz ALNOVQLYVVPNOP-AAEUAGOBSA-N 2 2 269.389 0.164 20 0 CCADLP COCC(=O)N1CCC([NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000358018308 144142357 /nfs/dbraw/zinc/14/23/57/144142357.db2.gz ALNOVQLYVVPNOP-AAEUAGOBSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)CCn1cc[nH+]c1 ZINC000358067808 144148021 /nfs/dbraw/zinc/14/80/21/144148021.db2.gz PWVIQUNFFCOQNN-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[NH+](C)[C@H](C)C2)C1 ZINC000358664117 144170259 /nfs/dbraw/zinc/17/02/59/144170259.db2.gz LGUASFSIWJABAC-MCIONIFRSA-N 2 2 283.416 0.647 20 0 CCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[NH+](C)[C@H](C)C2)C1 ZINC000358664117 144170260 /nfs/dbraw/zinc/17/02/60/144170260.db2.gz LGUASFSIWJABAC-MCIONIFRSA-N 2 2 283.416 0.647 20 0 CCADLP CCN1CC[NH+](CCC(=O)N2C[C@H](C)[NH+](C)[C@@H](C)C2)CC1 ZINC000358667690 144171120 /nfs/dbraw/zinc/17/11/20/144171120.db2.gz RCTUPOJTVVDUJB-GJZGRUSLSA-N 2 2 296.459 0.565 20 0 CCADLP C[C@H](C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000358727404 144176871 /nfs/dbraw/zinc/17/68/71/144176871.db2.gz RLFNEJAPWGMQCE-HZSPNIEDSA-N 2 2 282.432 0.173 20 0 CCADLP C[C@H](C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000358727404 144176873 /nfs/dbraw/zinc/17/68/73/144176873.db2.gz RLFNEJAPWGMQCE-HZSPNIEDSA-N 2 2 282.432 0.173 20 0 CCADLP C[C@H](C1CC1)N(C(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000359267510 144208130 /nfs/dbraw/zinc/20/81/30/144208130.db2.gz ABKONIBNSAMOJK-BNOWGMLFSA-N 2 2 277.412 0.927 20 0 CCADLP C[C@H](C1CC1)N(C(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000359267510 144208131 /nfs/dbraw/zinc/20/81/31/144208131.db2.gz ABKONIBNSAMOJK-BNOWGMLFSA-N 2 2 277.412 0.927 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cn[nH]c3)C2)CC1 ZINC000369273331 144261030 /nfs/dbraw/zinc/26/10/30/144261030.db2.gz GPNOWGNPUKSIMZ-GFCCVEGCSA-N 2 2 277.372 0.308 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cn[nH]c3)C2)CC1 ZINC000369273331 144261032 /nfs/dbraw/zinc/26/10/32/144261032.db2.gz GPNOWGNPUKSIMZ-GFCCVEGCSA-N 2 2 277.372 0.308 20 0 CCADLP CCCNC(=O)[C@@H](C)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000369359958 144265018 /nfs/dbraw/zinc/26/50/18/144265018.db2.gz UDGVKAXSZOACED-CABCVRRESA-N 2 2 296.459 0.613 20 0 CCADLP CCCNC(=O)[C@@H](C)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000369359958 144265020 /nfs/dbraw/zinc/26/50/20/144265020.db2.gz UDGVKAXSZOACED-CABCVRRESA-N 2 2 296.459 0.613 20 0 CCADLP C[C@@H]1C[C@H]1NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369372681 144265903 /nfs/dbraw/zinc/26/59/03/144265903.db2.gz KYASAQKTVHUBTH-MBNYWOFBSA-N 2 2 280.416 0.863 20 0 CCADLP C[C@@H]1C[C@H]1NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369372681 144265904 /nfs/dbraw/zinc/26/59/04/144265904.db2.gz KYASAQKTVHUBTH-MBNYWOFBSA-N 2 2 280.416 0.863 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC(C)(C)O)C2)CC1 ZINC000369370347 144266146 /nfs/dbraw/zinc/26/61/46/144266146.db2.gz OHZSHUOFYGFTLG-LBPRGKRZSA-N 2 2 298.431 0.225 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC(C)(C)O)C2)CC1 ZINC000369370347 144266148 /nfs/dbraw/zinc/26/61/48/144266148.db2.gz OHZSHUOFYGFTLG-LBPRGKRZSA-N 2 2 298.431 0.225 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)NCC1=CC[NH+](C)CC1 ZINC000371470708 144332914 /nfs/dbraw/zinc/33/29/14/144332914.db2.gz NVGVFPMVEDPDHV-ZDUSSCGKSA-N 2 2 267.373 0.085 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)NCC1=CC[NH+](C)CC1 ZINC000371470708 144332915 /nfs/dbraw/zinc/33/29/15/144332915.db2.gz NVGVFPMVEDPDHV-ZDUSSCGKSA-N 2 2 267.373 0.085 20 0 CCADLP CC[NH+]1CCOC[C@H]1C(=O)NCC1=CC[N@H+](C)CC1 ZINC000371470708 144332917 /nfs/dbraw/zinc/33/29/17/144332917.db2.gz NVGVFPMVEDPDHV-ZDUSSCGKSA-N 2 2 267.373 0.085 20 0 CCADLP CC[NH+]1CCOC[C@H]1C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000371470708 144332919 /nfs/dbraw/zinc/33/29/19/144332919.db2.gz NVGVFPMVEDPDHV-ZDUSSCGKSA-N 2 2 267.373 0.085 20 0 CCADLP C[C@H](CNC(=O)C1([NH+]2CCOCC2)CCC1)[N@H+](C)C1CC1 ZINC000371704077 144341598 /nfs/dbraw/zinc/34/15/98/144341598.db2.gz SCZQRWGSRFXHCZ-CYBMUJFWSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@H](CNC(=O)C1([NH+]2CCOCC2)CCC1)[N@@H+](C)C1CC1 ZINC000371704077 144341600 /nfs/dbraw/zinc/34/16/00/144341600.db2.gz SCZQRWGSRFXHCZ-CYBMUJFWSA-N 2 2 295.427 0.840 20 0 CCADLP CCC[C@](C)(O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372070039 144351589 /nfs/dbraw/zinc/35/15/89/144351589.db2.gz JJXBGUBXNNRWKN-CJNGLKHVSA-N 2 2 297.443 0.822 20 0 CCADLP CCC[C@](C)(O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372070039 144351591 /nfs/dbraw/zinc/35/15/91/144351591.db2.gz JJXBGUBXNNRWKN-CJNGLKHVSA-N 2 2 297.443 0.822 20 0 CCADLP COCc1ccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)o1 ZINC000394407875 397516699 /nfs/dbraw/zinc/51/66/99/397516699.db2.gz HGENPPGNXLMLPU-UHFFFAOYSA-N 2 2 281.356 0.290 20 0 CCADLP COCc1ccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)o1 ZINC000394407875 397516703 /nfs/dbraw/zinc/51/67/03/397516703.db2.gz HGENPPGNXLMLPU-UHFFFAOYSA-N 2 2 281.356 0.290 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@H]1CC[NH+]2CCC[C@H]2C1)C1CC1 ZINC000389106422 397509213 /nfs/dbraw/zinc/50/92/13/397509213.db2.gz KBRZCEQVECDODR-AEGPPILISA-N 3 2 267.417 0.658 20 0 CCADLP C[NH+](C[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000389106422 397509222 /nfs/dbraw/zinc/50/92/22/397509222.db2.gz KBRZCEQVECDODR-AEGPPILISA-N 3 2 267.417 0.658 20 0 CCADLP O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)NC(=O)NC1CC1 ZINC000580301921 397582083 /nfs/dbraw/zinc/58/20/83/397582083.db2.gz BPPSOAYXTFEICH-DGCLKSJQSA-N 2 2 294.399 0.439 20 0 CCADLP O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)NC(=O)NC1CC1 ZINC000580301921 397582084 /nfs/dbraw/zinc/58/20/84/397582084.db2.gz BPPSOAYXTFEICH-DGCLKSJQSA-N 2 2 294.399 0.439 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000440362150 397542550 /nfs/dbraw/zinc/54/25/50/397542550.db2.gz WTZPXZGNYOFPQN-OAHLLOKOSA-N 2 2 297.443 0.803 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000440362150 397542555 /nfs/dbraw/zinc/54/25/55/397542555.db2.gz WTZPXZGNYOFPQN-OAHLLOKOSA-N 2 2 297.443 0.803 20 0 CCADLP CCOCCNC(=O)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000440362150 397542561 /nfs/dbraw/zinc/54/25/61/397542561.db2.gz WTZPXZGNYOFPQN-OAHLLOKOSA-N 2 2 297.443 0.803 20 0 CCADLP CCOCCNC(=O)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000440362150 397542565 /nfs/dbraw/zinc/54/25/65/397542565.db2.gz WTZPXZGNYOFPQN-OAHLLOKOSA-N 2 2 297.443 0.803 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](CCOCC2CC2)CC1=O ZINC000649687539 397655975 /nfs/dbraw/zinc/65/59/75/397655975.db2.gz VRPYRHKQUDOHQP-UHFFFAOYSA-N 2 2 269.389 0.119 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](CCOCC2CC2)CC1=O ZINC000649687539 397655978 /nfs/dbraw/zinc/65/59/78/397655978.db2.gz VRPYRHKQUDOHQP-UHFFFAOYSA-N 2 2 269.389 0.119 20 0 CCADLP Cc1cc(N2CC[C@H]([N@H+](C)CCC[NH3+])C2=O)n(C)n1 ZINC000649410187 397606009 /nfs/dbraw/zinc/60/60/09/397606009.db2.gz XNFPNKIAAYOFKF-NSHDSACASA-N 2 2 265.361 0.114 20 0 CCADLP Cc1cc(N2CC[C@H]([N@@H+](C)CCC[NH3+])C2=O)n(C)n1 ZINC000649410187 397606011 /nfs/dbraw/zinc/60/60/11/397606011.db2.gz XNFPNKIAAYOFKF-NSHDSACASA-N 2 2 265.361 0.114 20 0 CCADLP C[NH2+]CCC[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000649414469 397608812 /nfs/dbraw/zinc/60/88/12/397608812.db2.gz AGRQZAWANFSSNV-CQSZACIVSA-N 3 2 254.422 0.308 20 0 CCADLP C[NH2+]CCC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000649414469 397608813 /nfs/dbraw/zinc/60/88/13/397608813.db2.gz AGRQZAWANFSSNV-CQSZACIVSA-N 3 2 254.422 0.308 20 0 CCADLP Cc1nn(C)c(C)c1NC(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000649420010 397610154 /nfs/dbraw/zinc/61/01/54/397610154.db2.gz VUWOYZWZYKNRON-GFCCVEGCSA-N 2 2 293.415 0.953 20 0 CCADLP CC(C)O[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000649699093 397657539 /nfs/dbraw/zinc/65/75/39/397657539.db2.gz IWHWXTVCXFMSLV-CQSZACIVSA-N 2 2 283.416 0.650 20 0 CCADLP CC(C)O[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000649699093 397657543 /nfs/dbraw/zinc/65/75/43/397657543.db2.gz IWHWXTVCXFMSLV-CQSZACIVSA-N 2 2 283.416 0.650 20 0 CCADLP COCC[N@@H+]1CCN(CC[NH+]2CCO[C@H](C)C2)C(C)(C)C1 ZINC000649851104 397674828 /nfs/dbraw/zinc/67/48/28/397674828.db2.gz LMUNVEPOTOMSNH-OAHLLOKOSA-N 2 2 299.459 0.750 20 0 CCADLP COCC[N@H+]1CCN(CC[NH+]2CCO[C@H](C)C2)C(C)(C)C1 ZINC000649851104 397674829 /nfs/dbraw/zinc/67/48/29/397674829.db2.gz LMUNVEPOTOMSNH-OAHLLOKOSA-N 2 2 299.459 0.750 20 0 CCADLP COCC[NH+]1CCN(CC[N@@H+]2CCO[C@H](C)C2)C(C)(C)C1 ZINC000649851104 397674830 /nfs/dbraw/zinc/67/48/30/397674830.db2.gz LMUNVEPOTOMSNH-OAHLLOKOSA-N 2 2 299.459 0.750 20 0 CCADLP COCC[NH+]1CCN(CC[N@H+]2CCO[C@H](C)C2)C(C)(C)C1 ZINC000649851104 397674832 /nfs/dbraw/zinc/67/48/32/397674832.db2.gz LMUNVEPOTOMSNH-OAHLLOKOSA-N 2 2 299.459 0.750 20 0 CCADLP COCCOCC[NH+]1CCN(CCn2cc[nH+]c2)CC1 ZINC000649896089 397681049 /nfs/dbraw/zinc/68/10/49/397681049.db2.gz CYODYXCSEKCGGF-UHFFFAOYSA-N 2 2 282.388 0.164 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000547539926 285955268 /nfs/dbraw/zinc/95/52/68/285955268.db2.gz PUSNIMVRINRJAH-UHFFFAOYSA-N 2 2 294.399 0.532 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)NCCc1c[nH+]cn1C ZINC000548460347 286038655 /nfs/dbraw/zinc/03/86/55/286038655.db2.gz PLDOTYPJNWNCHU-UHFFFAOYSA-N 2 2 273.340 0.854 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000549790666 286099942 /nfs/dbraw/zinc/09/99/42/286099942.db2.gz ADRNVXGYVXDNIV-NSHDSACASA-N 2 2 268.361 0.541 20 0 CCADLP c1cnc(N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)nc1 ZINC000020072889 296633590 /nfs/dbraw/zinc/63/35/90/296633590.db2.gz QLQTXMNUGLQNPA-CYBMUJFWSA-N 2 2 261.373 0.598 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000449330973 297111005 /nfs/dbraw/zinc/11/10/05/297111005.db2.gz WKZIFLJEBCQOSE-HZSPNIEDSA-N 2 2 281.400 0.165 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000263178949 297126904 /nfs/dbraw/zinc/12/69/04/297126904.db2.gz GMNWYBNZRLCCDA-IPYPFGDCSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000263178949 297126907 /nfs/dbraw/zinc/12/69/07/297126907.db2.gz GMNWYBNZRLCCDA-IPYPFGDCSA-N 2 2 283.416 0.731 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000336815667 292361457 /nfs/dbraw/zinc/36/14/57/292361457.db2.gz INCKTSVNYBVUAP-YNEHKIRRSA-N 2 2 269.389 0.069 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000336815667 292361460 /nfs/dbraw/zinc/36/14/60/292361460.db2.gz INCKTSVNYBVUAP-YNEHKIRRSA-N 2 2 269.389 0.069 20 0 CCADLP CC(C)[NH2+]CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000659314783 413403429 /nfs/dbraw/zinc/40/34/29/413403429.db2.gz VHUKRKNGCKCQSC-GFCCVEGCSA-N 2 2 262.357 0.775 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC(C)(C)N1CCOCC1 ZINC000133414965 286893482 /nfs/dbraw/zinc/89/34/82/286893482.db2.gz CGOLBORJZCXWRK-KBPBESRZSA-N 2 2 285.432 0.454 20 0 CCADLP CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1[NH3+] ZINC000122434829 411706955 /nfs/dbraw/zinc/70/69/55/411706955.db2.gz CWSSNGFOAJPONJ-NEPJUHHUSA-N 2 2 250.346 0.859 20 0 CCADLP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccccc1F ZINC000071150231 411695211 /nfs/dbraw/zinc/69/52/11/411695211.db2.gz WQDAUUGYBPQGFM-UHFFFAOYSA-N 2 2 294.374 0.601 20 0 CCADLP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccccc1F ZINC000071150231 411695213 /nfs/dbraw/zinc/69/52/13/411695213.db2.gz WQDAUUGYBPQGFM-UHFFFAOYSA-N 2 2 294.374 0.601 20 0 CCADLP c1cc2n(n1)C[C@H](C[N@@H+]1C[C@@H]3CCC[NH2+][C@@H]3C1)CN2 ZINC000684198314 545627189 /nfs/dbraw/zinc/62/71/89/545627189.db2.gz KRIABQWLDPASTG-RWMBFGLXSA-N 2 2 261.373 0.609 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351501336 411765164 /nfs/dbraw/zinc/76/51/64/411765164.db2.gz XUHDBHSHSIXLGY-KXNHARMFSA-N 2 2 275.356 0.473 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351501336 411765166 /nfs/dbraw/zinc/76/51/66/411765166.db2.gz XUHDBHSHSIXLGY-KXNHARMFSA-N 2 2 275.356 0.473 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)[C@H](C[NH3+])C1 ZINC000402779196 411785649 /nfs/dbraw/zinc/78/56/49/411785649.db2.gz BPYLQKPCSKDFQN-XJFOESAGSA-N 2 2 263.385 0.690 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)[C@H](C[NH3+])C1 ZINC000402779196 411785653 /nfs/dbraw/zinc/78/56/53/411785653.db2.gz BPYLQKPCSKDFQN-XJFOESAGSA-N 2 2 263.385 0.690 20 0 CCADLP CCO[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH3+] ZINC000405196484 411797656 /nfs/dbraw/zinc/79/76/56/411797656.db2.gz CDLZNSOJUKREJO-VXGBXAGGSA-N 2 2 266.345 0.095 20 0 CCADLP CCO[C@@H]1C[N@H+](CC(=O)N2CCC(C)CC2)C[C@H]1C[NH3+] ZINC000405195411 411797850 /nfs/dbraw/zinc/79/78/50/411797850.db2.gz BFOMSECBLCAYGI-ZIAGYGMSSA-N 2 2 283.416 0.541 20 0 CCADLP CCO[C@@H]1C[N@@H+](CC(=O)N2CCC(C)CC2)C[C@H]1C[NH3+] ZINC000405195411 411797856 /nfs/dbraw/zinc/79/78/56/411797856.db2.gz BFOMSECBLCAYGI-ZIAGYGMSSA-N 2 2 283.416 0.541 20 0 CCADLP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405227099 411799368 /nfs/dbraw/zinc/79/93/68/411799368.db2.gz TXHJIWQMSLBLHH-REWJHTLYSA-N 2 2 285.432 0.975 20 0 CCADLP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405227099 411799372 /nfs/dbraw/zinc/79/93/72/411799372.db2.gz TXHJIWQMSLBLHH-REWJHTLYSA-N 2 2 285.432 0.975 20 0 CCADLP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCC(C)C)C[C@H]1C[NH3+] ZINC000405412506 411801916 /nfs/dbraw/zinc/80/19/16/411801916.db2.gz AJMCAZQDTIACOS-BFHYXJOUSA-N 2 2 285.432 0.833 20 0 CCADLP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCC(C)C)C[C@H]1C[NH3+] ZINC000405412506 411801920 /nfs/dbraw/zinc/80/19/20/411801920.db2.gz AJMCAZQDTIACOS-BFHYXJOUSA-N 2 2 285.432 0.833 20 0 CCADLP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@H](C)CC)C[C@H]1C[NH3+] ZINC000405539283 411803348 /nfs/dbraw/zinc/80/33/48/411803348.db2.gz QOZHERKVOJWZSN-FDYHWXHSSA-N 2 2 271.405 0.585 20 0 CCADLP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@H](C)CC)C[C@H]1C[NH3+] ZINC000405539283 411803351 /nfs/dbraw/zinc/80/33/51/411803351.db2.gz QOZHERKVOJWZSN-FDYHWXHSSA-N 2 2 271.405 0.585 20 0 CCADLP Cc1[nH]c2nc[nH+]c(N3CC([N@@H+]4CC[C@@H](O)C4)C3)c2c1C ZINC000651449390 411874918 /nfs/dbraw/zinc/87/49/18/411874918.db2.gz IYCFKJKSNFKXQV-GFCCVEGCSA-N 2 2 287.367 0.830 20 0 CCADLP Cc1[nH]c2nc[nH+]c(N3CC([N@H+]4CC[C@@H](O)C4)C3)c2c1C ZINC000651449390 411874924 /nfs/dbraw/zinc/87/49/24/411874924.db2.gz IYCFKJKSNFKXQV-GFCCVEGCSA-N 2 2 287.367 0.830 20 0 CCADLP c1cc2n(n1)C[C@H](C[N@H+]1C[C@@H]3CCC[NH2+][C@@H]3C1)CN2 ZINC000684198314 545627192 /nfs/dbraw/zinc/62/71/92/545627192.db2.gz KRIABQWLDPASTG-RWMBFGLXSA-N 2 2 261.373 0.609 20 0 CCADLP C[NH2+]C[C@](C)(O)CN1CCn2c(C)c(C)[nH+]c2C1 ZINC000652338949 412031422 /nfs/dbraw/zinc/03/14/22/412031422.db2.gz OXDPTTKFRLRDGB-ZDUSSCGKSA-N 2 2 252.362 0.286 20 0 CCADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+])C(=O)N(C)C ZINC000652355414 412036866 /nfs/dbraw/zinc/03/68/66/412036866.db2.gz XPYAFECXHHIRLM-AVGNSLFASA-N 2 2 298.431 0.029 20 0 CCADLP C[C@H](NC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+])C(=O)N(C)C ZINC000652355414 412036867 /nfs/dbraw/zinc/03/68/67/412036867.db2.gz XPYAFECXHHIRLM-AVGNSLFASA-N 2 2 298.431 0.029 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)OCO2 ZINC000653056064 412204016 /nfs/dbraw/zinc/20/40/16/412204016.db2.gz SHRYWLZOCJMZFS-SNVBAGLBSA-N 2 2 265.313 0.633 20 0 CCADLP COc1cccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000653056373 412204277 /nfs/dbraw/zinc/20/42/77/412204277.db2.gz BVRNSGQPIDUSQB-GFCCVEGCSA-N 2 2 251.330 0.913 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc2n[nH]cc2c1 ZINC000653058649 412205691 /nfs/dbraw/zinc/20/56/91/412205691.db2.gz AHWSLAMWVQXZAA-NSHDSACASA-N 2 2 261.329 0.780 20 0 CCADLP CC[C@@H]1CO[C@@H](C)CN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653058667 412206277 /nfs/dbraw/zinc/20/62/77/412206277.db2.gz BALJXZXRQRBVSA-QJPTWQEYSA-N 2 2 257.378 0.291 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@]1(C)CCCC[C@H]1O ZINC000653095308 412215461 /nfs/dbraw/zinc/21/54/61/412215461.db2.gz FWCISUXJGDZHIG-SCRDCRAPSA-N 2 2 271.405 0.323 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1cccc2c1OCO2 ZINC000653075665 412210751 /nfs/dbraw/zinc/21/07/51/412210751.db2.gz WHKMXSLTMFFDRW-LLVKDONJSA-N 2 2 279.340 0.311 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCOc2cc(F)ccc21 ZINC000653091947 412215529 /nfs/dbraw/zinc/21/55/29/412215529.db2.gz NSWKLVAHOFWSRX-NSHDSACASA-N 2 2 281.331 0.830 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CNc2ccccc2C1 ZINC000653210631 412260252 /nfs/dbraw/zinc/26/02/52/412260252.db2.gz CYJHVXBDIVCWDK-STQMWFEESA-N 2 2 276.384 0.418 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC000653094118 412215799 /nfs/dbraw/zinc/21/57/99/412215799.db2.gz XMZIRYDNUWRGAQ-IUCAKERBSA-N 2 2 283.294 0.055 20 0 CCADLP C[C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)Oc1ccc(F)cc1 ZINC000653096221 412216910 /nfs/dbraw/zinc/21/69/10/412216910.db2.gz GOGOPZUPPFGMOP-RISCZKNCSA-N 2 2 297.374 0.988 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H](CC(N)=O)C1CCCCC1 ZINC000653101944 412218364 /nfs/dbraw/zinc/21/83/64/412218364.db2.gz KNTRDELLFRZMKQ-CHWSQXEVSA-N 2 2 298.431 0.206 20 0 CCADLP CO[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1(C)C ZINC000653101670 412218405 /nfs/dbraw/zinc/21/84/05/412218405.db2.gz CDBKWRLFCGAINX-HBNTYKKESA-N 2 2 257.378 0.195 20 0 CCADLP CCO[C@H](CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(C)C ZINC000653101613 412218476 /nfs/dbraw/zinc/21/84/76/412218476.db2.gz ADJKMRIOPHPCQM-QWHCGFSZSA-N 2 2 273.421 0.833 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC1([NH+](C)C)CCCC1 ZINC000653105022 412220521 /nfs/dbraw/zinc/22/05/21/412220521.db2.gz BMXAQYFAPNLZHA-GFCCVEGCSA-N 3 2 270.421 0.256 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000653105355 412220566 /nfs/dbraw/zinc/22/05/66/412220566.db2.gz REGYBHNHLXAKGD-CABCVRRESA-N 3 2 292.427 0.685 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000653108072 412222454 /nfs/dbraw/zinc/22/24/54/412222454.db2.gz HOIBBZCWZQKKEZ-OAHLLOKOSA-N 3 2 296.459 0.742 20 0 CCADLP CC[NH+]1CCC(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653112362 412223453 /nfs/dbraw/zinc/22/34/53/412223453.db2.gz WKEFJXRJSDWGTJ-CYBMUJFWSA-N 3 2 270.421 0.114 20 0 CCADLP [NH3+]CC(F)(F)CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000653112123 412223980 /nfs/dbraw/zinc/22/39/80/412223980.db2.gz MRBBFUYUJHOJHV-LLVKDONJSA-N 2 2 291.342 0.294 20 0 CCADLP O=C([C@@H]1CCC[NH2+]CC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000653111984 412224470 /nfs/dbraw/zinc/22/44/70/412224470.db2.gz IFWPYEZEYQQHGO-CABCVRRESA-N 2 2 295.427 0.699 20 0 CCADLP COc1cccnc1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653113762 412225486 /nfs/dbraw/zinc/22/54/86/412225486.db2.gz NIKISIFSDALNDH-VIFPVBQESA-N 2 2 252.318 0.308 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653116899 412227895 /nfs/dbraw/zinc/22/78/95/412227895.db2.gz XQYHDRBGEUVTFD-MRVWCRGKSA-N 2 2 281.400 0.354 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653116899 412227900 /nfs/dbraw/zinc/22/79/00/412227900.db2.gz XQYHDRBGEUVTFD-MRVWCRGKSA-N 2 2 281.400 0.354 20 0 CCADLP CN1CCOc2ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc21 ZINC000653120341 412228924 /nfs/dbraw/zinc/22/89/24/412228924.db2.gz ONRQZZRWBOGAIP-GFCCVEGCSA-N 2 2 292.383 0.733 20 0 CCADLP CC[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccncc1 ZINC000653119367 412229586 /nfs/dbraw/zinc/22/95/86/412229586.db2.gz HOJZXYBDRPJOIS-CHWSQXEVSA-N 2 2 264.373 0.928 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000653121016 412229688 /nfs/dbraw/zinc/22/96/88/412229688.db2.gz KSQAXQNWSTUUKK-GJZGRUSLSA-N 3 2 296.459 0.742 20 0 CCADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653119286 412230687 /nfs/dbraw/zinc/23/06/87/412230687.db2.gz FCLNJDTUAALJQS-UONOGXRCSA-N 3 2 284.448 0.360 20 0 CCADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653119286 412230689 /nfs/dbraw/zinc/23/06/89/412230689.db2.gz FCLNJDTUAALJQS-UONOGXRCSA-N 3 2 284.448 0.360 20 0 CCADLP Cc1cnc([C@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C)s1 ZINC000653123400 412233127 /nfs/dbraw/zinc/23/31/27/412233127.db2.gz XLAXHHWPQYWPLF-UWVGGRQHSA-N 2 2 270.402 0.908 20 0 CCADLP CO[C@@H]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653149072 412241833 /nfs/dbraw/zinc/24/18/33/412241833.db2.gz VPYAYTHSJPTPEK-SDDRHHMPSA-N 2 2 257.378 0.197 20 0 CCADLP Cc1csc([C@@H](C)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)n1 ZINC000653151396 412243038 /nfs/dbraw/zinc/24/30/38/412243038.db2.gz FQRZLZPGSNDXIX-ONGXEEELSA-N 2 2 284.429 0.950 20 0 CCADLP C[C@@H](CN(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)c1nccs1 ZINC000653151705 412243951 /nfs/dbraw/zinc/24/39/51/412243951.db2.gz PJVXTLGOQHQTSB-WDEREUQCSA-N 2 2 284.429 0.984 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCC[C@H]1CCCCO1 ZINC000653154629 412245758 /nfs/dbraw/zinc/24/57/58/412245758.db2.gz XELUVKKZJARWKT-OLZOCXBDSA-N 2 2 271.405 0.731 20 0 CCADLP C[NH2+]CCCN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653164036 412249197 /nfs/dbraw/zinc/24/91/97/412249197.db2.gz INEAUKUCYGLEDF-UHFFFAOYSA-N 2 2 264.373 0.830 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@]1(CO)CCc2ccccc21 ZINC000653587196 412320546 /nfs/dbraw/zinc/32/05/46/412320546.db2.gz UJOXAOQOPJZZOB-ZBFHGGJFSA-N 2 2 278.396 0.723 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@]1(CO)CCc2ccccc21 ZINC000653587196 412320548 /nfs/dbraw/zinc/32/05/48/412320548.db2.gz UJOXAOQOPJZZOB-ZBFHGGJFSA-N 2 2 278.396 0.723 20 0 CCADLP Cn1c[nH+]cc1CCCN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000653589611 412322509 /nfs/dbraw/zinc/32/25/09/412322509.db2.gz SNXIMUDBMWZCRF-HNNXBMFYSA-N 2 2 278.400 0.759 20 0 CCADLP Cn1c[nH+]cc1CCC[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000653589611 412322512 /nfs/dbraw/zinc/32/25/12/412322512.db2.gz SNXIMUDBMWZCRF-HNNXBMFYSA-N 2 2 278.400 0.759 20 0 CCADLP COCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000654749894 412435716 /nfs/dbraw/zinc/43/57/16/412435716.db2.gz WBIXDKVLZDPLDC-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000654749894 412435718 /nfs/dbraw/zinc/43/57/18/412435718.db2.gz WBIXDKVLZDPLDC-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000654749894 412435720 /nfs/dbraw/zinc/43/57/20/412435720.db2.gz WBIXDKVLZDPLDC-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000654749894 412435723 /nfs/dbraw/zinc/43/57/23/412435723.db2.gz WBIXDKVLZDPLDC-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000654749900 412436334 /nfs/dbraw/zinc/43/63/34/412436334.db2.gz WBIXDKVLZDPLDC-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000654749900 412436336 /nfs/dbraw/zinc/43/63/36/412436336.db2.gz WBIXDKVLZDPLDC-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000654749900 412436339 /nfs/dbraw/zinc/43/63/39/412436339.db2.gz WBIXDKVLZDPLDC-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000654749900 412436341 /nfs/dbraw/zinc/43/63/41/412436341.db2.gz WBIXDKVLZDPLDC-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000654653101 412424131 /nfs/dbraw/zinc/42/41/31/412424131.db2.gz XLMHJUIECXNAPI-GFCCVEGCSA-N 2 2 269.389 0.165 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000654653101 412424133 /nfs/dbraw/zinc/42/41/33/412424133.db2.gz XLMHJUIECXNAPI-GFCCVEGCSA-N 2 2 269.389 0.165 20 0 CCADLP C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000654653101 412424134 /nfs/dbraw/zinc/42/41/34/412424134.db2.gz XLMHJUIECXNAPI-GFCCVEGCSA-N 2 2 269.389 0.165 20 0 CCADLP C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000654653101 412424136 /nfs/dbraw/zinc/42/41/36/412424136.db2.gz XLMHJUIECXNAPI-GFCCVEGCSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H]1CCC[N@@H+](CCNC(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000655041875 412466602 /nfs/dbraw/zinc/46/66/02/412466602.db2.gz BLEPXAGPEHVEAG-ZDUSSCGKSA-N 2 2 293.415 0.994 20 0 CCADLP [NH3+][C@@H]1CN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC[C@H]1F ZINC000659495010 413548919 /nfs/dbraw/zinc/54/89/19/413548919.db2.gz YVLSDIXWPZNAHV-OPRDCNLKSA-N 2 2 281.335 0.348 20 0 CCADLP [NH3+][C@@H]1CN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC[C@H]1F ZINC000659495010 413548924 /nfs/dbraw/zinc/54/89/24/413548924.db2.gz YVLSDIXWPZNAHV-OPRDCNLKSA-N 2 2 281.335 0.348 20 0 CCADLP C[C@H](NC(=O)N[C@@H]1CCC[NH2+]C1)c1[nH+]ccn1C ZINC000659518482 413588461 /nfs/dbraw/zinc/58/84/61/413588461.db2.gz XUMAOHBYHQPWTG-VHSXEESVSA-N 2 2 251.334 0.532 20 0 CCADLP C[C@@H](NC(=O)NC[C@@H]1C[NH2+]CCCO1)c1[nH+]ccn1C ZINC000659552188 413645135 /nfs/dbraw/zinc/64/51/35/413645135.db2.gz ZUDFKFJJUGQYKX-MNOVXSKESA-N 2 2 281.360 0.159 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000659554074 413647107 /nfs/dbraw/zinc/64/71/07/413647107.db2.gz DFNNXFWBPPEULA-IVZWLZJFSA-N 2 2 253.350 0.906 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000659634843 413732920 /nfs/dbraw/zinc/73/29/20/413732920.db2.gz NCBOBBCPSSJUII-DGCLKSJQSA-N 2 2 278.356 0.852 20 0 CCADLP c1[nH]nnc1CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000660003410 414043310 /nfs/dbraw/zinc/04/33/10/414043310.db2.gz JBOXFXHVBHEVPW-UHFFFAOYSA-N 2 2 258.329 0.564 20 0 CCADLP Cn1c[nH+]c(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000660074286 414087017 /nfs/dbraw/zinc/08/70/17/414087017.db2.gz LNSLLJZUWQBSJA-OAHLLOKOSA-N 2 2 277.416 0.632 20 0 CCADLP Cn1c[nH+]c(CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000660074286 414087021 /nfs/dbraw/zinc/08/70/21/414087021.db2.gz LNSLLJZUWQBSJA-OAHLLOKOSA-N 2 2 277.416 0.632 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)CN1CC[C@H](c2[nH+]ccn2C)C1 ZINC000660127538 414132477 /nfs/dbraw/zinc/13/24/77/414132477.db2.gz BGKKCWVDCCWUBR-KBPBESRZSA-N 2 2 280.416 0.911 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)CN1CC[C@H](c2[nH+]ccn2C)C1 ZINC000660127538 414132487 /nfs/dbraw/zinc/13/24/87/414132487.db2.gz BGKKCWVDCCWUBR-KBPBESRZSA-N 2 2 280.416 0.911 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2nccn2C)C1 ZINC000660127538 414132496 /nfs/dbraw/zinc/13/24/96/414132496.db2.gz BGKKCWVDCCWUBR-KBPBESRZSA-N 2 2 280.416 0.911 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2nccn2C)C1 ZINC000660127538 414132505 /nfs/dbraw/zinc/13/25/05/414132505.db2.gz BGKKCWVDCCWUBR-KBPBESRZSA-N 2 2 280.416 0.911 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000660127538 414132516 /nfs/dbraw/zinc/13/25/16/414132516.db2.gz BGKKCWVDCCWUBR-KBPBESRZSA-N 2 2 280.416 0.911 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000660127538 414132525 /nfs/dbraw/zinc/13/25/25/414132525.db2.gz BGKKCWVDCCWUBR-KBPBESRZSA-N 2 2 280.416 0.911 20 0 CCADLP CCN1OC[C@@H]([NH+]2CCC(c3c[nH]c[nH+]3)CC2)C1=O ZINC000660093199 414104172 /nfs/dbraw/zinc/10/41/72/414104172.db2.gz CRAXZMDPKWWEMB-GFCCVEGCSA-N 2 2 264.329 0.751 20 0 CCADLP COCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)[C@@H]1CCOC1 ZINC000660433318 414314783 /nfs/dbraw/zinc/31/47/83/414314783.db2.gz YYPNWRVRGIPAGP-ZIAGYGMSSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@@H]1CCOC1 ZINC000660433318 414314787 /nfs/dbraw/zinc/31/47/87/414314787.db2.gz YYPNWRVRGIPAGP-ZIAGYGMSSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)[C@@H]1CCOC1 ZINC000660433318 414314794 /nfs/dbraw/zinc/31/47/94/414314794.db2.gz YYPNWRVRGIPAGP-ZIAGYGMSSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)[C@@H]1CCOC1 ZINC000660433318 414314799 /nfs/dbraw/zinc/31/47/99/414314799.db2.gz YYPNWRVRGIPAGP-ZIAGYGMSSA-N 2 2 274.405 0.425 20 0 CCADLP CNC(=O)CCC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660472021 414343550 /nfs/dbraw/zinc/34/35/50/414343550.db2.gz BCJIAIOTAJGWLS-AWEZNQCLSA-N 2 2 283.416 0.699 20 0 CCADLP CNC(=O)CCC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660472021 414343554 /nfs/dbraw/zinc/34/35/54/414343554.db2.gz BCJIAIOTAJGWLS-AWEZNQCLSA-N 2 2 283.416 0.699 20 0 CCADLP O=C1C[C@@H](C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CN1 ZINC000660475067 414349346 /nfs/dbraw/zinc/34/93/46/414349346.db2.gz QGLZKLUBUACQCW-KGLIPLIRSA-N 2 2 281.400 0.309 20 0 CCADLP O=C1C[C@@H](C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CN1 ZINC000660475067 414349350 /nfs/dbraw/zinc/34/93/50/414349350.db2.gz QGLZKLUBUACQCW-KGLIPLIRSA-N 2 2 281.400 0.309 20 0 CCADLP O=C1NCC[C@@H]1CC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660476181 414349606 /nfs/dbraw/zinc/34/96/06/414349606.db2.gz XROJIOIAQZCJRA-CABCVRRESA-N 2 2 295.427 0.699 20 0 CCADLP O=C1NCC[C@@H]1CC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660476181 414349615 /nfs/dbraw/zinc/34/96/15/414349615.db2.gz XROJIOIAQZCJRA-CABCVRRESA-N 2 2 295.427 0.699 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000660451136 414330087 /nfs/dbraw/zinc/33/00/87/414330087.db2.gz YNKAROROMZKMLA-LBPRGKRZSA-N 2 2 297.403 0.391 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000660451136 414330094 /nfs/dbraw/zinc/33/00/94/414330094.db2.gz YNKAROROMZKMLA-LBPRGKRZSA-N 2 2 297.403 0.391 20 0 CCADLP CCN1CC[C@@H]([NH+]2CCC(CO)([NH2+]CC3CC3)CC2)C1=O ZINC000660759018 414472737 /nfs/dbraw/zinc/47/27/37/414472737.db2.gz CWRJDTMVHGIQII-CQSZACIVSA-N 2 2 295.427 0.434 20 0 CCADLP COCCCNC(=O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660653149 414429111 /nfs/dbraw/zinc/42/91/11/414429111.db2.gz OZBHPVQTCHRUJW-OAHLLOKOSA-N 2 2 283.416 0.557 20 0 CCADLP COCCCNC(=O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660653149 414429116 /nfs/dbraw/zinc/42/91/16/414429116.db2.gz OZBHPVQTCHRUJW-OAHLLOKOSA-N 2 2 283.416 0.557 20 0 CCADLP COCCCNC(=O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660653149 414429126 /nfs/dbraw/zinc/42/91/26/414429126.db2.gz OZBHPVQTCHRUJW-OAHLLOKOSA-N 2 2 283.416 0.557 20 0 CCADLP COCCCNC(=O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660653149 414429134 /nfs/dbraw/zinc/42/91/34/414429134.db2.gz OZBHPVQTCHRUJW-OAHLLOKOSA-N 2 2 283.416 0.557 20 0 CCADLP c1cn(CCC[NH+]2CCN(c3ncns3)CC2)c[nH+]1 ZINC000660708514 414454758 /nfs/dbraw/zinc/45/47/58/414454758.db2.gz ZPABLSQJUCDZPF-UHFFFAOYSA-N 2 2 278.385 0.947 20 0 CCADLP C[C@@H]1C[N@H+](CCN2C[C@H](C)[NH+](CCO)C[C@@H]2C)C[C@H](C)O1 ZINC000660822214 414489824 /nfs/dbraw/zinc/48/98/24/414489824.db2.gz BIFZDJHFJARSKG-YHUYYLMFSA-N 2 2 299.459 0.483 20 0 CCADLP C[C@@H]1C[NH+](CCN2C[C@H](C)[N@H+](CCO)C[C@@H]2C)C[C@H](C)O1 ZINC000660822214 414489827 /nfs/dbraw/zinc/48/98/27/414489827.db2.gz BIFZDJHFJARSKG-YHUYYLMFSA-N 2 2 299.459 0.483 20 0 CCADLP C[C@@H]1C[NH+](CCN2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)C[C@H](C)O1 ZINC000660822214 414489829 /nfs/dbraw/zinc/48/98/29/414489829.db2.gz BIFZDJHFJARSKG-YHUYYLMFSA-N 2 2 299.459 0.483 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000660827226 414493716 /nfs/dbraw/zinc/49/37/16/414493716.db2.gz XMPKUCASUKDOGW-CYBMUJFWSA-N 2 2 297.428 0.988 20 0 CCADLP C[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000660838778 414502547 /nfs/dbraw/zinc/50/25/47/414502547.db2.gz ZFHGDKIKEXVMEX-ZIAGYGMSSA-N 2 2 296.415 0.197 20 0 CCADLP C[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000660838778 414502551 /nfs/dbraw/zinc/50/25/51/414502551.db2.gz ZFHGDKIKEXVMEX-ZIAGYGMSSA-N 2 2 296.415 0.197 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCOC[C@H]2C)C1 ZINC000660856411 414511308 /nfs/dbraw/zinc/51/13/08/414511308.db2.gz KIFTYEFQNPLRPM-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCOC[C@H]2C)C1 ZINC000660856411 414511310 /nfs/dbraw/zinc/51/13/10/414511310.db2.gz KIFTYEFQNPLRPM-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[NH+]1CC[C@@H](NC(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC000660856411 414511311 /nfs/dbraw/zinc/51/13/11/414511311.db2.gz KIFTYEFQNPLRPM-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[NH+]1CC[C@@H](NC(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC000660856411 414511313 /nfs/dbraw/zinc/51/13/13/414511313.db2.gz KIFTYEFQNPLRPM-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CCCCCNC(=O)[C@@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031557 174026234 /nfs/dbraw/zinc/02/62/34/174026234.db2.gz GNSYRHCOKKNQSI-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CCCCCNC(=O)[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031557 174026235 /nfs/dbraw/zinc/02/62/35/174026235.db2.gz GNSYRHCOKKNQSI-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP C([C@H]1CCC2(C[NH2+]C2)O1)[N@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000662265997 414703012 /nfs/dbraw/zinc/70/30/12/414703012.db2.gz VIMCPZJELYSNPL-QWHCGFSZSA-N 3 2 251.374 0.334 20 0 CCADLP C([C@H]1CCC2(C[NH2+]C2)O1)[N@@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000662265997 414703013 /nfs/dbraw/zinc/70/30/13/414703013.db2.gz VIMCPZJELYSNPL-QWHCGFSZSA-N 3 2 251.374 0.334 20 0 CCADLP CC(C)[C@H](C[NH2+]C1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC000040770033 174398947 /nfs/dbraw/zinc/39/89/47/174398947.db2.gz DFVPJKYWEXYVMY-INIZCTEOSA-N 3 2 282.476 0.942 20 0 CCADLP Cn1ccnc1C[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662276475 414704556 /nfs/dbraw/zinc/70/45/56/414704556.db2.gz JNRGXPIWQPDOJI-LLVKDONJSA-N 2 2 250.346 0.373 20 0 CCADLP Cn1ccnc1C[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662276475 414704557 /nfs/dbraw/zinc/70/45/57/414704557.db2.gz JNRGXPIWQPDOJI-LLVKDONJSA-N 2 2 250.346 0.373 20 0 CCADLP CO[C@H](C[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)C1CCC1 ZINC000662282736 414705675 /nfs/dbraw/zinc/70/56/75/414705675.db2.gz JTTSAZCGSVRBRA-RRFJBIMHSA-N 2 2 278.400 0.962 20 0 CCADLP CO[C@H](C[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)C1CCC1 ZINC000662282736 414705676 /nfs/dbraw/zinc/70/56/76/414705676.db2.gz JTTSAZCGSVRBRA-RRFJBIMHSA-N 2 2 278.400 0.962 20 0 CCADLP CC(C)(C)n1nnc(CC[N@@H+]2CCCO[C@H](C[NH3+])C2)n1 ZINC000662282795 414705981 /nfs/dbraw/zinc/70/59/81/414705981.db2.gz WMLOHLGMPFFEOC-LLVKDONJSA-N 2 2 282.392 0.020 20 0 CCADLP CC(C)(C)n1nnc(CC[N@H+]2CCCO[C@H](C[NH3+])C2)n1 ZINC000662282795 414705982 /nfs/dbraw/zinc/70/59/82/414705982.db2.gz WMLOHLGMPFFEOC-LLVKDONJSA-N 2 2 282.392 0.020 20 0 CCADLP C[C@@H](NC(=O)C[NH2+]C1(CO)CC[NH2+]CC1)c1cccs1 ZINC000662286042 414706627 /nfs/dbraw/zinc/70/66/27/414706627.db2.gz RDHVUEMOGZUNNY-LLVKDONJSA-N 2 2 297.424 0.629 20 0 CCADLP CC[C@@H](C(N)=O)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321790 414709965 /nfs/dbraw/zinc/70/99/65/414709965.db2.gz JHCOEWMWFWIBHZ-NEPJUHHUSA-N 2 2 257.378 0.293 20 0 CCADLP CC[C@@H](C(N)=O)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321790 414709966 /nfs/dbraw/zinc/70/99/66/414709966.db2.gz JHCOEWMWFWIBHZ-NEPJUHHUSA-N 2 2 257.378 0.293 20 0 CCADLP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)CCO1 ZINC000662327301 414710405 /nfs/dbraw/zinc/71/04/05/414710405.db2.gz MOAVDBVTTYVZGF-KGLIPLIRSA-N 3 2 255.406 0.639 20 0 CCADLP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CCO1 ZINC000662327301 414710406 /nfs/dbraw/zinc/71/04/06/414710406.db2.gz MOAVDBVTTYVZGF-KGLIPLIRSA-N 3 2 255.406 0.639 20 0 CCADLP O[C@@H]1CC[N@@H+](C2CC[NH+](CCO[C@@H]3CC3(F)F)CC2)C1 ZINC000662148422 414693449 /nfs/dbraw/zinc/69/34/49/414693449.db2.gz KEUJPWSEVVPPGP-CHWSQXEVSA-N 2 2 290.354 0.942 20 0 CCADLP O[C@@H]1CC[N@H+](C2CC[NH+](CCO[C@@H]3CC3(F)F)CC2)C1 ZINC000662148422 414693450 /nfs/dbraw/zinc/69/34/50/414693450.db2.gz KEUJPWSEVVPPGP-CHWSQXEVSA-N 2 2 290.354 0.942 20 0 CCADLP O[C@@H]1CC[N@@H+](C2CC[NH+](CCCn3cc[nH+]c3)CC2)C1 ZINC000662152796 414694079 /nfs/dbraw/zinc/69/40/79/414694079.db2.gz GYWNVRNTEUIGCL-OAHLLOKOSA-N 3 2 278.400 0.804 20 0 CCADLP O[C@@H]1CC[N@H+](C2CC[NH+](CCCn3cc[nH+]c3)CC2)C1 ZINC000662152796 414694080 /nfs/dbraw/zinc/69/40/80/414694080.db2.gz GYWNVRNTEUIGCL-OAHLLOKOSA-N 3 2 278.400 0.804 20 0 CCADLP CC(C)N1CC[C@H]([NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1=O ZINC000662154242 414694450 /nfs/dbraw/zinc/69/44/50/414694450.db2.gz GBAXGYMTWUSCQB-CABCVRRESA-N 2 2 295.427 0.527 20 0 CCADLP CC(C)N1CC[C@H]([NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1=O ZINC000662154242 414694451 /nfs/dbraw/zinc/69/44/51/414694451.db2.gz GBAXGYMTWUSCQB-CABCVRRESA-N 2 2 295.427 0.527 20 0 CCADLP O[C@@H]1CC[N@@H+](C2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000662155468 414694607 /nfs/dbraw/zinc/69/46/07/414694607.db2.gz JHHGFWKQWUSWQJ-GFCCVEGCSA-N 2 2 250.346 0.441 20 0 CCADLP O[C@@H]1CC[N@H+](C2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000662155468 414694608 /nfs/dbraw/zinc/69/46/08/414694608.db2.gz JHHGFWKQWUSWQJ-GFCCVEGCSA-N 2 2 250.346 0.441 20 0 CCADLP Cn1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1=O ZINC000662161844 414694677 /nfs/dbraw/zinc/69/46/77/414694677.db2.gz XKIVYLMHHXHBAT-OAHLLOKOSA-N 2 2 291.395 0.416 20 0 CCADLP Cn1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1=O ZINC000662161844 414694678 /nfs/dbraw/zinc/69/46/78/414694678.db2.gz XKIVYLMHHXHBAT-OAHLLOKOSA-N 2 2 291.395 0.416 20 0 CCADLP C([NH2+]C1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1)C1CC1 ZINC000662245056 414698819 /nfs/dbraw/zinc/69/88/19/414698819.db2.gz MAQXIBNAWTZQLJ-HNNXBMFYSA-N 3 2 279.428 0.971 20 0 CCADLP CNS(=O)(=O)c1ccc(C[N@@H+]2CC[C@H](C[NH2+]C)C2)cc1 ZINC000662247522 414699075 /nfs/dbraw/zinc/69/90/75/414699075.db2.gz WYEDJSCIYRMPBJ-CYBMUJFWSA-N 2 2 297.424 0.636 20 0 CCADLP CNS(=O)(=O)c1ccc(C[N@H+]2CC[C@H](C[NH2+]C)C2)cc1 ZINC000662247522 414699076 /nfs/dbraw/zinc/69/90/76/414699076.db2.gz WYEDJSCIYRMPBJ-CYBMUJFWSA-N 2 2 297.424 0.636 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1coc(S(N)(=O)=O)c1 ZINC000662248335 414699170 /nfs/dbraw/zinc/69/91/70/414699170.db2.gz ZLVXDRCAGVVHPP-NSHDSACASA-N 2 2 289.401 0.732 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1coc(S(N)(=O)=O)c1 ZINC000662248335 414699171 /nfs/dbraw/zinc/69/91/71/414699171.db2.gz ZLVXDRCAGVVHPP-NSHDSACASA-N 2 2 289.401 0.732 20 0 CCADLP COc1ccc([C@@H](CO)[N@H+](C)C[C@H]2C[NH2+]CCO2)cc1 ZINC000662254120 414699924 /nfs/dbraw/zinc/69/99/24/414699924.db2.gz FVHPTOWIIBHPPU-HUUCEWRRSA-N 2 2 280.368 0.649 20 0 CCADLP COc1ccc([C@@H](CO)[N@@H+](C)C[C@H]2C[NH2+]CCO2)cc1 ZINC000662254120 414699925 /nfs/dbraw/zinc/69/99/25/414699925.db2.gz FVHPTOWIIBHPPU-HUUCEWRRSA-N 2 2 280.368 0.649 20 0 CCADLP CCO[C@@H]1C[C@@H](O)C12CC[NH+](C[C@H]1C[NH2+]CCO1)CC2 ZINC000662255297 414700297 /nfs/dbraw/zinc/70/02/97/414700297.db2.gz CUJNKRFOSPAASW-MGPQQGTHSA-N 2 2 284.400 0.227 20 0 CCADLP CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662256966 414700495 /nfs/dbraw/zinc/70/04/95/414700495.db2.gz KUNUYDVDRXPPAT-KGLIPLIRSA-N 2 2 297.443 0.849 20 0 CCADLP CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662256966 414700496 /nfs/dbraw/zinc/70/04/96/414700496.db2.gz KUNUYDVDRXPPAT-KGLIPLIRSA-N 2 2 297.443 0.849 20 0 CCADLP C[C@H](C[NH3+])C(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000662760062 414768364 /nfs/dbraw/zinc/76/83/64/414768364.db2.gz VMOJYIQSGVDPER-ZJUUUORDSA-N 2 2 250.346 0.924 20 0 CCADLP Cc1ccn([C@H](C)CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000662430419 414717957 /nfs/dbraw/zinc/71/79/57/414717957.db2.gz WLQGTCJILSCBCP-CHWSQXEVSA-N 2 2 279.388 0.244 20 0 CCADLP Cc1ccn([C@H](C)CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])n1 ZINC000662430419 414717958 /nfs/dbraw/zinc/71/79/58/414717958.db2.gz WLQGTCJILSCBCP-CHWSQXEVSA-N 2 2 279.388 0.244 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCC[C@@H]3[NH3+])C2)CC1 ZINC000662457773 414720186 /nfs/dbraw/zinc/72/01/86/414720186.db2.gz NALPMCRNLBZSBA-YUELXQCFSA-N 3 2 294.443 0.399 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CCC[C@@H]3[NH3+])C2)CC1 ZINC000662457773 414720187 /nfs/dbraw/zinc/72/01/87/414720187.db2.gz NALPMCRNLBZSBA-YUELXQCFSA-N 3 2 294.443 0.399 20 0 CCADLP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000662606696 414732107 /nfs/dbraw/zinc/73/21/07/414732107.db2.gz VVZRQFMMOJOYFC-ZDUSSCGKSA-N 2 2 283.416 0.826 20 0 CCADLP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000662606696 414732108 /nfs/dbraw/zinc/73/21/08/414732108.db2.gz VVZRQFMMOJOYFC-ZDUSSCGKSA-N 2 2 283.416 0.826 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662629156 414734430 /nfs/dbraw/zinc/73/44/30/414734430.db2.gz CLGQHDTZBNGHQS-QJPTWQEYSA-N 2 2 257.378 0.195 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662629156 414734431 /nfs/dbraw/zinc/73/44/31/414734431.db2.gz CLGQHDTZBNGHQS-QJPTWQEYSA-N 2 2 257.378 0.195 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000662630189 414734845 /nfs/dbraw/zinc/73/48/45/414734845.db2.gz JVKFYTHFRZGSLO-OBJOEFQTSA-N 2 2 271.405 0.729 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000662630189 414734846 /nfs/dbraw/zinc/73/48/46/414734846.db2.gz JVKFYTHFRZGSLO-OBJOEFQTSA-N 2 2 271.405 0.729 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)[C@@H](C)CO1 ZINC000662631986 414734904 /nfs/dbraw/zinc/73/49/04/414734904.db2.gz VZDPSDYYTYSLQI-FQUUOJAGSA-N 2 2 283.416 0.600 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)[C@@H](C)CO1 ZINC000662631986 414734905 /nfs/dbraw/zinc/73/49/05/414734905.db2.gz VZDPSDYYTYSLQI-FQUUOJAGSA-N 2 2 283.416 0.600 20 0 CCADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662653952 414737345 /nfs/dbraw/zinc/73/73/45/414737345.db2.gz AOOHVNRLZBGQCR-KGLIPLIRSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662655478 414737484 /nfs/dbraw/zinc/73/74/84/414737484.db2.gz IHUTULSMABTXQU-STQMWFEESA-N 2 2 269.389 0.293 20 0 CCADLP [NH3+]Cc1cc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)co1 ZINC000662656705 414737730 /nfs/dbraw/zinc/73/77/30/414737730.db2.gz RVLLNPPIGSZRMV-GFCCVEGCSA-N 2 2 279.340 0.285 20 0 CCADLP CC(C)([NH3+])c1cc(C(=O)NCC[NH+]2CCSCC2)on1 ZINC000662682277 414740362 /nfs/dbraw/zinc/74/03/62/414740362.db2.gz PVWWSNDMCBPJEV-UHFFFAOYSA-N 2 2 298.412 0.647 20 0 CCADLP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000662685236 414740998 /nfs/dbraw/zinc/74/09/98/414740998.db2.gz QROYUJFLKSFJSL-QWHCGFSZSA-N 2 2 292.383 0.242 20 0 CCADLP Cc1ccn2cc(CNC(=O)[C@H]3CCO[C@H]3C[NH3+])[nH+]c2c1 ZINC000662689633 414741438 /nfs/dbraw/zinc/74/14/38/414741438.db2.gz UWYYOJWUDWIIPP-STQMWFEESA-N 2 2 288.351 0.623 20 0 CCADLP C[NH2+][C@@H](C)C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662705646 414744137 /nfs/dbraw/zinc/74/41/37/414744137.db2.gz PGDUYAUVGVIFHK-LBPRGKRZSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662714710 414745834 /nfs/dbraw/zinc/74/58/34/414745834.db2.gz LUTKYRXFWLIMII-LBPRGKRZSA-N 2 2 281.400 0.498 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662714710 414745835 /nfs/dbraw/zinc/74/58/35/414745835.db2.gz LUTKYRXFWLIMII-LBPRGKRZSA-N 2 2 281.400 0.498 20 0 CCADLP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000662796423 414802405 /nfs/dbraw/zinc/80/24/05/414802405.db2.gz ZVNMJHIUSUDPAP-AGIUHOORSA-N 2 2 290.367 0.140 20 0 CCADLP COCC1(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)CCCC1 ZINC000662847482 414839101 /nfs/dbraw/zinc/83/91/01/414839101.db2.gz FNQUKTGDZWFIIQ-NSHDSACASA-N 2 2 257.378 0.341 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1([NH3+])CCCC1 ZINC000662857248 414849539 /nfs/dbraw/zinc/84/95/39/414849539.db2.gz JBBHQBDATVOKHZ-UHFFFAOYSA-N 3 2 270.421 0.258 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1([NH3+])CCCC1 ZINC000662857248 414849546 /nfs/dbraw/zinc/84/95/46/414849546.db2.gz JBBHQBDATVOKHZ-UHFFFAOYSA-N 3 2 270.421 0.258 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)C2([NH3+])CCCCC2)[C@@H](C)CO1 ZINC000662861282 414851274 /nfs/dbraw/zinc/85/12/74/414851274.db2.gz ZIJKINPIRPUUEG-STQMWFEESA-N 2 2 283.416 0.873 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)C2([NH3+])CCCCC2)[C@@H](C)CO1 ZINC000662861282 414851278 /nfs/dbraw/zinc/85/12/78/414851278.db2.gz ZIJKINPIRPUUEG-STQMWFEESA-N 2 2 283.416 0.873 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1COc2cc(F)ccc2C1 ZINC000662876371 414863570 /nfs/dbraw/zinc/86/35/70/414863570.db2.gz XMVSDQWSWYYNAY-QWHCGFSZSA-N 2 2 295.358 0.524 20 0 CCADLP [NH3+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[C@H]1F ZINC000662944984 414907930 /nfs/dbraw/zinc/90/79/30/414907930.db2.gz FCTKFUIDZJGSHF-GMTAPVOTSA-N 2 2 266.320 0.343 20 0 CCADLP CN(C(=O)C1(C)C[NH2+]C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662901266 414879812 /nfs/dbraw/zinc/87/98/12/414879812.db2.gz VAVIQYBDYZVMNI-AWEZNQCLSA-N 3 2 294.443 0.223 20 0 CCADLP CN(C(=O)C1(C)C[NH2+]C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662901266 414879816 /nfs/dbraw/zinc/87/98/16/414879816.db2.gz VAVIQYBDYZVMNI-AWEZNQCLSA-N 3 2 294.443 0.223 20 0 CCADLP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H](C)[NH3+] ZINC000662901704 414882155 /nfs/dbraw/zinc/88/21/55/414882155.db2.gz YNUJBQJQMBXZOL-IPYPFGDCSA-N 3 2 296.459 0.597 20 0 CCADLP C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H](C)[NH3+] ZINC000662901704 414882161 /nfs/dbraw/zinc/88/21/61/414882161.db2.gz YNUJBQJQMBXZOL-IPYPFGDCSA-N 3 2 296.459 0.597 20 0 CCADLP C[C@H](NC(=O)COC1CCC([NH3+])CC1)c1[nH+]ccn1C ZINC000662934055 414902972 /nfs/dbraw/zinc/90/29/72/414902972.db2.gz LRHPGMJNKUBXQV-UNXYVOJBSA-N 2 2 280.372 0.884 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]CCC(=O)N(C)c1ccccc1 ZINC000663362366 415049472 /nfs/dbraw/zinc/04/94/72/415049472.db2.gz KUSAAEMKZNTQJU-UHFFFAOYSA-N 2 2 293.411 0.943 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]CCC(=O)N(C)c1ccccc1 ZINC000663362366 415049478 /nfs/dbraw/zinc/04/94/78/415049478.db2.gz KUSAAEMKZNTQJU-UHFFFAOYSA-N 2 2 293.411 0.943 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1nc2c(s1)C[NH2+]CC2 ZINC000663493663 415076315 /nfs/dbraw/zinc/07/63/15/415076315.db2.gz CQQLOQHYTFPOMV-NXEZZACHSA-N 3 2 266.414 0.958 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1nc2c(s1)C[NH2+]CC2 ZINC000663493663 415076317 /nfs/dbraw/zinc/07/63/17/415076317.db2.gz CQQLOQHYTFPOMV-NXEZZACHSA-N 3 2 266.414 0.958 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2nc3c(s2)C[NH2+]CC3)C1 ZINC000663494553 415077450 /nfs/dbraw/zinc/07/74/50/415077450.db2.gz JGQKOXJNHABLBN-ZJUUUORDSA-N 3 2 266.414 0.958 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2nc3c(s2)C[NH2+]CC3)C1 ZINC000663494553 415077456 /nfs/dbraw/zinc/07/74/56/415077456.db2.gz JGQKOXJNHABLBN-ZJUUUORDSA-N 3 2 266.414 0.958 20 0 CCADLP CC(C)CNC(=O)[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000663304591 415039547 /nfs/dbraw/zinc/03/95/47/415039547.db2.gz RVOALVGGSDUZRO-UKRRQHHQSA-N 2 2 297.443 0.990 20 0 CCADLP CC(C)CNC(=O)[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000663304589 415039671 /nfs/dbraw/zinc/03/96/71/415039671.db2.gz RVOALVGGSDUZRO-DZGCQCFKSA-N 2 2 297.443 0.990 20 0 CCADLP Cc1c(N2CC[NH+](C)CC2)ncnc1N1CC[NH+](C)CC1 ZINC000663312586 415043255 /nfs/dbraw/zinc/04/32/55/415043255.db2.gz YICPFMPJBUGSPS-UHFFFAOYSA-N 2 2 290.415 0.289 20 0 CCADLP C[C@@H]1C[C@H]1CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000663717732 415119106 /nfs/dbraw/zinc/11/91/06/415119106.db2.gz VHHUUXXYCKGPDB-OLZOCXBDSA-N 2 2 270.421 0.825 20 0 CCADLP C[C@@H]1C[C@H]1CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000663717732 415119111 /nfs/dbraw/zinc/11/91/11/415119111.db2.gz VHHUUXXYCKGPDB-OLZOCXBDSA-N 2 2 270.421 0.825 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000044529933 175193793 /nfs/dbraw/zinc/19/37/93/175193793.db2.gz BZEAGRQAASWIIR-FRRDWIJNSA-N 2 2 269.389 0.293 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000044529933 175193796 /nfs/dbraw/zinc/19/37/96/175193796.db2.gz BZEAGRQAASWIIR-FRRDWIJNSA-N 2 2 269.389 0.293 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C1(C[NH3+])CCCC1 ZINC000044763735 175247931 /nfs/dbraw/zinc/24/79/31/175247931.db2.gz RBBIRHCDWXHJNG-GFCCVEGCSA-N 2 2 269.389 0.342 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNc1nccn2cnnc12 ZINC000664248098 415301659 /nfs/dbraw/zinc/30/16/59/415301659.db2.gz NYOJIQLQXIHUBQ-UHFFFAOYSA-N 2 2 277.376 0.420 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNc1nccn2cnnc12 ZINC000664248098 415301664 /nfs/dbraw/zinc/30/16/64/415301664.db2.gz NYOJIQLQXIHUBQ-UHFFFAOYSA-N 2 2 277.376 0.420 20 0 CCADLP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1nnnn1-c1ccccc1 ZINC000665238486 415572167 /nfs/dbraw/zinc/57/21/67/415572167.db2.gz ZITHNIUXCCEGIL-WCQYABFASA-N 2 2 272.356 0.879 20 0 CCADLP NC(=O)c1csc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000665273028 415582942 /nfs/dbraw/zinc/58/29/42/415582942.db2.gz PEPQRVXMYRJPRU-BDAKNGLRSA-N 2 2 268.386 0.849 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NCCOc2ccccc2)C1 ZINC000071145514 176041703 /nfs/dbraw/zinc/04/17/03/176041703.db2.gz ACBKZHIBZDOWED-CQSZACIVSA-N 2 2 291.395 0.723 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NCCOc2ccccc2)C1 ZINC000071145514 176041704 /nfs/dbraw/zinc/04/17/04/176041704.db2.gz ACBKZHIBZDOWED-CQSZACIVSA-N 2 2 291.395 0.723 20 0 CCADLP c1ccc(N2CC[NH+](C[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000035811645 544421070 /nfs/dbraw/zinc/42/10/70/544421070.db2.gz HQOCXKVAKJBHST-HNNXBMFYSA-N 2 2 261.369 0.797 20 0 CCADLP COc1cccc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)c1 ZINC000037488864 544422370 /nfs/dbraw/zinc/42/23/70/544422370.db2.gz ZPJOTKHCCYSCAG-UHFFFAOYSA-N 2 2 277.368 0.559 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCCN(C)C2)n1C ZINC000070143805 544449435 /nfs/dbraw/zinc/44/94/35/544449435.db2.gz IKDHACXQZWFJDP-LLVKDONJSA-N 2 2 251.378 0.670 20 0 CCADLP C[C@H]1CCC[N@H+](CCN2C(=O)NC(C)(C)C2=O)[C@@H]1C[NH3+] ZINC000070177948 544450834 /nfs/dbraw/zinc/45/08/34/544450834.db2.gz DPTVIGHUBNIYSJ-WDEREUQCSA-N 2 2 282.388 0.376 20 0 CCADLP C[C@H]1CCC[N@@H+](CCN2C(=O)NC(C)(C)C2=O)[C@@H]1C[NH3+] ZINC000070177948 544450837 /nfs/dbraw/zinc/45/08/37/544450837.db2.gz DPTVIGHUBNIYSJ-WDEREUQCSA-N 2 2 282.388 0.376 20 0 CCADLP CC(C)(CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])[NH+]1CCOCC1 ZINC000085370724 544495258 /nfs/dbraw/zinc/49/52/58/544495258.db2.gz BGADDYQSNHOHPN-NEPJUHHUSA-N 2 2 269.389 0.341 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNc1cc[nH+]c(N2CCOCC2)n1 ZINC000624620676 419421712 /nfs/dbraw/zinc/42/17/12/419421712.db2.gz JIWMUUKCFNQIRR-LBPRGKRZSA-N 2 2 293.371 0.056 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNc1cc[nH+]c(N2CCOCC2)n1 ZINC000624620676 419421721 /nfs/dbraw/zinc/42/17/21/419421721.db2.gz JIWMUUKCFNQIRR-LBPRGKRZSA-N 2 2 293.371 0.056 20 0 CCADLP CC[C@H]1C[N@H+](CC(=O)NCCCOC)CC[C@@H]1[NH3+] ZINC000147425156 544645506 /nfs/dbraw/zinc/64/55/06/544645506.db2.gz AYHZGEKUJLXULX-RYUDHWBXSA-N 2 2 257.378 0.198 20 0 CCADLP CC[C@H]1C[N@@H+](CC(=O)NCCCOC)CC[C@@H]1[NH3+] ZINC000147425156 544645509 /nfs/dbraw/zinc/64/55/09/544645509.db2.gz AYHZGEKUJLXULX-RYUDHWBXSA-N 2 2 257.378 0.198 20 0 CCADLP CC[C@H]1C[N@H+](CC(=O)NC2CCOCC2)CC[C@@H]1[NH3+] ZINC000147462781 544645854 /nfs/dbraw/zinc/64/58/54/544645854.db2.gz KLOKJOSRFCPOQX-AAEUAGOBSA-N 2 2 269.389 0.341 20 0 CCADLP CC[C@H]1C[N@@H+](CC(=O)NC2CCOCC2)CC[C@@H]1[NH3+] ZINC000147462781 544645858 /nfs/dbraw/zinc/64/58/58/544645858.db2.gz KLOKJOSRFCPOQX-AAEUAGOBSA-N 2 2 269.389 0.341 20 0 CCADLP CC[C@H](C(=O)N1CCN(Cc2[nH+]ccn2C)CC1)[NH+](C)C ZINC000164396454 544720511 /nfs/dbraw/zinc/72/05/11/544720511.db2.gz DIGPJXIMGABAEX-CYBMUJFWSA-N 2 2 293.415 0.405 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CC(C)(C)[NH3+])CC1 ZINC000178830796 544748822 /nfs/dbraw/zinc/74/88/22/544748822.db2.gz DSJJIMSKWUXGPF-UHFFFAOYSA-N 3 2 270.421 0.256 20 0 CCADLP CC[NH+](CC)CCNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000220526142 544816353 /nfs/dbraw/zinc/81/63/53/544816353.db2.gz YBCYCRWAPZZDLJ-NSHDSACASA-N 2 2 264.373 0.973 20 0 CCADLP CC[NH+](CC)CCNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000220526142 544816356 /nfs/dbraw/zinc/81/63/56/544816356.db2.gz YBCYCRWAPZZDLJ-NSHDSACASA-N 2 2 264.373 0.973 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]C2Cc3ccccc3C2)CC1 ZINC000222872974 544824801 /nfs/dbraw/zinc/82/48/01/544824801.db2.gz CQHKLBUOWGJWIV-UHFFFAOYSA-N 2 2 273.380 0.517 20 0 CCADLP COc1cc[nH+]c(CN(C)[C@H]2CC[NH2+]C2)c1OC ZINC000232197908 544863278 /nfs/dbraw/zinc/86/32/78/544863278.db2.gz HKFYTGOCLVQWAA-JTQLQIEISA-N 2 2 251.330 0.893 20 0 CCADLP COC1(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CCC1 ZINC000234577097 544869664 /nfs/dbraw/zinc/86/96/64/544869664.db2.gz QONAODQHWFHUIK-LLVKDONJSA-N 2 2 255.362 0.047 20 0 CCADLP COC1(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CCC1 ZINC000234577097 544869666 /nfs/dbraw/zinc/86/96/66/544869666.db2.gz QONAODQHWFHUIK-LLVKDONJSA-N 2 2 255.362 0.047 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000493915723 420316264 /nfs/dbraw/zinc/31/62/64/420316264.db2.gz FOKQTJBTFBLZEO-RYUDHWBXSA-N 2 2 295.387 0.137 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C[NH3+])o2)C1 ZINC000236778508 544886832 /nfs/dbraw/zinc/88/68/32/544886832.db2.gz CXZNZUCNLDVZHE-ZDUSSCGKSA-N 2 2 295.383 0.825 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(C[NH3+])o2)C1 ZINC000236778508 544886837 /nfs/dbraw/zinc/88/68/37/544886837.db2.gz CXZNZUCNLDVZHE-ZDUSSCGKSA-N 2 2 295.383 0.825 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@H]2Cc3ccccc32)[C@H](C[NH3+])C1 ZINC000250358529 544922157 /nfs/dbraw/zinc/92/21/57/544922157.db2.gz BAAXBBASSUGDFO-OCCSQVGLSA-N 2 2 259.353 0.428 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]2Cc3ccccc32)[C@H](C[NH3+])C1 ZINC000250358529 544922161 /nfs/dbraw/zinc/92/21/61/544922161.db2.gz BAAXBBASSUGDFO-OCCSQVGLSA-N 2 2 259.353 0.428 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)NCCCOC)CC[C@H]1[NH3+] ZINC000251546899 544927417 /nfs/dbraw/zinc/92/74/17/544927417.db2.gz AYHZGEKUJLXULX-VXGBXAGGSA-N 2 2 257.378 0.198 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)NCCCOC)CC[C@H]1[NH3+] ZINC000251546899 544927420 /nfs/dbraw/zinc/92/74/20/544927420.db2.gz AYHZGEKUJLXULX-VXGBXAGGSA-N 2 2 257.378 0.198 20 0 CCADLP CC[N@@H+]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000288635533 544968076 /nfs/dbraw/zinc/96/80/76/544968076.db2.gz YTOWRUSCULNWOI-NSHDSACASA-N 2 2 250.346 0.895 20 0 CCADLP CC[N@H+]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000288635533 544968078 /nfs/dbraw/zinc/96/80/78/544968078.db2.gz YTOWRUSCULNWOI-NSHDSACASA-N 2 2 250.346 0.895 20 0 CCADLP CC[N@@H+]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000288635533 544968081 /nfs/dbraw/zinc/96/80/81/544968081.db2.gz YTOWRUSCULNWOI-NSHDSACASA-N 2 2 250.346 0.895 20 0 CCADLP CC[N@H+]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000288635533 544968084 /nfs/dbraw/zinc/96/80/84/544968084.db2.gz YTOWRUSCULNWOI-NSHDSACASA-N 2 2 250.346 0.895 20 0 CCADLP O=C(NCC[NH+]1CCOCC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333114520 545038556 /nfs/dbraw/zinc/03/85/56/545038556.db2.gz FPJAPXFAQDDYNB-HNNXBMFYSA-N 2 2 296.415 0.104 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000333669175 545041667 /nfs/dbraw/zinc/04/16/67/545041667.db2.gz MUVMGCXXHILYHF-IGQOVBAYSA-N 2 2 296.415 0.289 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000333669175 545041668 /nfs/dbraw/zinc/04/16/68/545041668.db2.gz MUVMGCXXHILYHF-IGQOVBAYSA-N 2 2 296.415 0.289 20 0 CCADLP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000333669176 545041781 /nfs/dbraw/zinc/04/17/81/545041781.db2.gz MUVMGCXXHILYHF-MQYQWHSLSA-N 2 2 296.415 0.289 20 0 CCADLP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000333669176 545041782 /nfs/dbraw/zinc/04/17/82/545041782.db2.gz MUVMGCXXHILYHF-MQYQWHSLSA-N 2 2 296.415 0.289 20 0 CCADLP CC[N@@H+]1CC[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000351882371 545069213 /nfs/dbraw/zinc/06/92/13/545069213.db2.gz FZSPGCFDYACORJ-NSHDSACASA-N 2 2 250.346 0.800 20 0 CCADLP CC[N@H+]1CC[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000351882371 545069214 /nfs/dbraw/zinc/06/92/14/545069214.db2.gz FZSPGCFDYACORJ-NSHDSACASA-N 2 2 250.346 0.800 20 0 CCADLP CC[N@@H+]1CC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000351882371 545069215 /nfs/dbraw/zinc/06/92/15/545069215.db2.gz FZSPGCFDYACORJ-NSHDSACASA-N 2 2 250.346 0.800 20 0 CCADLP CC[N@H+]1CC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000351882371 545069216 /nfs/dbraw/zinc/06/92/16/545069216.db2.gz FZSPGCFDYACORJ-NSHDSACASA-N 2 2 250.346 0.800 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1c[nH+]cn1C ZINC000357066765 545078288 /nfs/dbraw/zinc/07/82/88/545078288.db2.gz MYJUQSNRNJVUHC-JTQLQIEISA-N 2 2 262.317 0.505 20 0 CCADLP COCC[NH2+]CC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000105899915 274035808 /nfs/dbraw/zinc/03/58/08/274035808.db2.gz AOBLAVNTZZKCMG-OAHLLOKOSA-N 2 2 291.395 0.738 20 0 CCADLP COCC[NH2+]CC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000105899915 274035810 /nfs/dbraw/zinc/03/58/10/274035810.db2.gz AOBLAVNTZZKCMG-OAHLLOKOSA-N 2 2 291.395 0.738 20 0 CCADLP CO[C@@H]1CCN(C(=O)c2ccc3[nH+]ccn3c2)[C@@H](C[NH3+])C1 ZINC000359224734 274063605 /nfs/dbraw/zinc/06/36/05/274063605.db2.gz LMIQJICBAFBJQF-CHWSQXEVSA-N 2 2 288.351 0.913 20 0 CCADLP CC[N@H+](C)CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC000369664531 276070893 /nfs/dbraw/zinc/07/08/93/276070893.db2.gz MOKYSCNYRXUWJI-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP CC[N@@H+](C)CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC000369664531 276070894 /nfs/dbraw/zinc/07/08/94/276070894.db2.gz MOKYSCNYRXUWJI-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+](C)CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000369664531 276070896 /nfs/dbraw/zinc/07/08/96/276070896.db2.gz MOKYSCNYRXUWJI-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+](C)CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000369664531 276070897 /nfs/dbraw/zinc/07/08/97/276070897.db2.gz MOKYSCNYRXUWJI-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H](O)C(C)(C)C2)CC1 ZINC000447861481 276191195 /nfs/dbraw/zinc/19/11/95/276191195.db2.gz BDKODHPMSIBRGH-STQMWFEESA-N 2 2 283.416 0.242 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@H](O)C(C)(C)C2)CC1 ZINC000447861481 276191197 /nfs/dbraw/zinc/19/11/97/276191197.db2.gz BDKODHPMSIBRGH-STQMWFEESA-N 2 2 283.416 0.242 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CN(C)C(=O)O1 ZINC000496083441 276234316 /nfs/dbraw/zinc/23/43/16/276234316.db2.gz QSWJTBWRZAIKQN-FRRDWIJNSA-N 2 2 267.373 0.996 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CN(C)C(=O)O1 ZINC000496083441 276234317 /nfs/dbraw/zinc/23/43/17/276234317.db2.gz QSWJTBWRZAIKQN-FRRDWIJNSA-N 2 2 267.373 0.996 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CN(C)C(=O)O1 ZINC000496083441 276234319 /nfs/dbraw/zinc/23/43/19/276234319.db2.gz QSWJTBWRZAIKQN-FRRDWIJNSA-N 2 2 267.373 0.996 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CN(C)C(=O)O1 ZINC000496083441 276234320 /nfs/dbraw/zinc/23/43/20/276234320.db2.gz QSWJTBWRZAIKQN-FRRDWIJNSA-N 2 2 267.373 0.996 20 0 CCADLP CCO[C@@H]1C[C@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)[C@H]1OC ZINC000425338742 276353099 /nfs/dbraw/zinc/35/30/99/276353099.db2.gz PZSTYKUDMGKIQD-YNEHKIRRSA-N 2 2 282.388 0.768 20 0 CCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC)CC2)CC1 ZINC000335063613 276358549 /nfs/dbraw/zinc/35/85/49/276358549.db2.gz NGKXTIIDRILDLB-UHFFFAOYSA-N 2 2 268.405 0.818 20 0 CCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NC)CC2)CC1 ZINC000335063613 276358550 /nfs/dbraw/zinc/35/85/50/276358550.db2.gz NGKXTIIDRILDLB-UHFFFAOYSA-N 2 2 268.405 0.818 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1)C(C)C ZINC000253193136 277099271 /nfs/dbraw/zinc/09/92/71/277099271.db2.gz OGILTDDQUSUCCU-NJZAAPMLSA-N 2 2 283.416 0.633 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1)C(C)C ZINC000253193136 277099274 /nfs/dbraw/zinc/09/92/74/277099274.db2.gz OGILTDDQUSUCCU-NJZAAPMLSA-N 2 2 283.416 0.633 20 0 CCADLP CNC(=O)C(C)(C)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000230385548 277222002 /nfs/dbraw/zinc/22/20/02/277222002.db2.gz ZSFSFOFJAKLVFS-UHFFFAOYSA-N 2 2 267.377 0.348 20 0 CCADLP COC(=O)CCC[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000371305611 277316151 /nfs/dbraw/zinc/31/61/51/277316151.db2.gz ZMDMHTVQHVWFGN-CABCVRRESA-N 2 2 297.443 0.897 20 0 CCADLP COC(=O)CCC[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000371305611 277316154 /nfs/dbraw/zinc/31/61/54/277316154.db2.gz ZMDMHTVQHVWFGN-CABCVRRESA-N 2 2 297.443 0.897 20 0 CCADLP CS[C@@H]1CN(c2nc(C)[nH+]c(N(C)C)n2)C[C@@H]1[NH+](C)C ZINC000340210026 278157500 /nfs/dbraw/zinc/15/75/00/278157500.db2.gz RQADEFAYIUSFKY-WDEREUQCSA-N 2 2 296.444 0.728 20 0 CCADLP C[C@@H]1C[N@H+](C)CCN1Cc1c[nH+]c(N(C)C)n1C ZINC000425338869 288070729 /nfs/dbraw/zinc/07/07/29/288070729.db2.gz QIUNDCLLOPXLNM-LLVKDONJSA-N 2 2 251.378 0.622 20 0 CCADLP C[C@@H]1C[N@@H+](C)CCN1Cc1c[nH+]c(N(C)C)n1C ZINC000425338869 288070734 /nfs/dbraw/zinc/07/07/34/288070734.db2.gz QIUNDCLLOPXLNM-LLVKDONJSA-N 2 2 251.378 0.622 20 0 CCADLP CC(C)C[C@H](CNC(=O)[C@@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000040430593 279158889 /nfs/dbraw/zinc/15/88/89/279158889.db2.gz XFTKPXFDRCHYIB-KGLIPLIRSA-N 2 2 283.416 0.602 20 0 CCADLP CC(C)C[C@](C)(C[NH3+])NC(=O)NCC[NH+]1CCOCC1 ZINC000416431755 279235999 /nfs/dbraw/zinc/23/59/99/279235999.db2.gz INRVCZIDOZAODY-CQSZACIVSA-N 2 2 286.420 0.381 20 0 CCADLP Cn1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@@H](C[NH3+])C3)C2=O)n1 ZINC000430642617 279362127 /nfs/dbraw/zinc/36/21/27/279362127.db2.gz VMZAWDITIZPPTJ-QWHCGFSZSA-N 2 2 291.399 0.586 20 0 CCADLP Cn1ccc(N2CCC[C@@H]([N@H+]3CCC[C@@H](C[NH3+])C3)C2=O)n1 ZINC000430642617 279362129 /nfs/dbraw/zinc/36/21/29/279362129.db2.gz VMZAWDITIZPPTJ-QWHCGFSZSA-N 2 2 291.399 0.586 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(C)(C)[NH3+])C2)CC1 ZINC000346833663 279372368 /nfs/dbraw/zinc/37/23/68/279372368.db2.gz MGUSFAHDEMWFLJ-ZDUSSCGKSA-N 3 2 254.422 0.436 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(C)(C)[NH3+])C2)CC1 ZINC000346833663 279372370 /nfs/dbraw/zinc/37/23/70/279372370.db2.gz MGUSFAHDEMWFLJ-ZDUSSCGKSA-N 3 2 254.422 0.436 20 0 CCADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492762553 288144356 /nfs/dbraw/zinc/14/43/56/288144356.db2.gz HROSUCDVTOGYBX-QMAVJUDZSA-N 2 2 292.383 0.727 20 0 CCADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492762553 288144357 /nfs/dbraw/zinc/14/43/57/288144357.db2.gz HROSUCDVTOGYBX-QMAVJUDZSA-N 2 2 292.383 0.727 20 0 CCADLP CC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420383354 280107024 /nfs/dbraw/zinc/10/70/24/280107024.db2.gz STWWNXYKCNGZIW-OCCSQVGLSA-N 2 2 253.390 0.977 20 0 CCADLP CC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420383354 280107028 /nfs/dbraw/zinc/10/70/28/280107028.db2.gz STWWNXYKCNGZIW-OCCSQVGLSA-N 2 2 253.390 0.977 20 0 CCADLP CC(C)[C@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)[C@@H]1C)[NH+](C)C ZINC000356701909 280159539 /nfs/dbraw/zinc/15/95/39/280159539.db2.gz GTVFBLGGBNENAG-SOUVJXGZSA-N 2 2 297.443 0.894 20 0 CCADLP C[C@@H]1COCCN1CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000249070267 288345503 /nfs/dbraw/zinc/34/55/03/288345503.db2.gz QZGFIXLDVQXMEQ-HZPDHXFCSA-N 2 2 297.443 0.361 20 0 CCADLP C[C@@H]1COCCN1CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000249070267 288345505 /nfs/dbraw/zinc/34/55/05/288345505.db2.gz QZGFIXLDVQXMEQ-HZPDHXFCSA-N 2 2 297.443 0.361 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000333473877 288523738 /nfs/dbraw/zinc/52/37/38/288523738.db2.gz BEUFEZPVHJJLKE-HZSPNIEDSA-N 2 2 296.415 0.243 20 0 CCADLP C[C@@H]1[C@H](C)OCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000155989402 289021274 /nfs/dbraw/zinc/02/12/74/289021274.db2.gz SNFOMJCHDUWGOY-OLZOCXBDSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1[C@H](C)OCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000155989402 289021277 /nfs/dbraw/zinc/02/12/77/289021277.db2.gz SNFOMJCHDUWGOY-OLZOCXBDSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261601772 289331126 /nfs/dbraw/zinc/33/11/26/289331126.db2.gz AIOQOOHXPTWYNC-YGRLFVJLSA-N 2 2 284.404 0.670 20 0 CCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261601772 289331130 /nfs/dbraw/zinc/33/11/30/289331130.db2.gz AIOQOOHXPTWYNC-YGRLFVJLSA-N 2 2 284.404 0.670 20 0 CCADLP C[N@@H+]1CC[C@@H]([NH2+]CCCS(N)(=O)=O)[C@H]1c1ccccc1 ZINC000289308000 290145510 /nfs/dbraw/zinc/14/55/10/290145510.db2.gz AYOVXJSAGIRFMM-ZIAGYGMSSA-N 2 2 297.424 0.700 20 0 CCADLP C[N@H+]1CC[C@@H]([NH2+]CCCS(N)(=O)=O)[C@H]1c1ccccc1 ZINC000289308000 290145512 /nfs/dbraw/zinc/14/55/12/290145512.db2.gz AYOVXJSAGIRFMM-ZIAGYGMSSA-N 2 2 297.424 0.700 20 0 CCADLP COC[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)C1CCOCC1 ZINC000446821215 293154291 /nfs/dbraw/zinc/15/42/91/293154291.db2.gz MMFINSJMNLYNAV-GJZGRUSLSA-N 2 2 285.432 0.263 20 0 CCADLP COC[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)C1CCOCC1 ZINC000446821215 293154294 /nfs/dbraw/zinc/15/42/94/293154294.db2.gz MMFINSJMNLYNAV-GJZGRUSLSA-N 2 2 285.432 0.263 20 0 CCADLP COC[C@]1(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CCC[NH2+]1 ZINC000423426610 293295725 /nfs/dbraw/zinc/29/57/25/293295725.db2.gz NBBUOEDMYGUXGH-HZSPNIEDSA-N 3 2 255.406 0.685 20 0 CCADLP COC[C@]1(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CCC[NH2+]1 ZINC000423426610 293295727 /nfs/dbraw/zinc/29/57/27/293295727.db2.gz NBBUOEDMYGUXGH-HZSPNIEDSA-N 3 2 255.406 0.685 20 0 CCADLP NC(=O)NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246864561 295075079 /nfs/dbraw/zinc/07/50/79/295075079.db2.gz PTWMKBDGMYYEHM-CMPLNLGQSA-N 2 2 280.372 0.130 20 0 CCADLP NC(=O)NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246864561 295075082 /nfs/dbraw/zinc/07/50/82/295075082.db2.gz PTWMKBDGMYYEHM-CMPLNLGQSA-N 2 2 280.372 0.130 20 0 CCADLP NC(=O)NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246864561 295075084 /nfs/dbraw/zinc/07/50/84/295075084.db2.gz PTWMKBDGMYYEHM-CMPLNLGQSA-N 2 2 280.372 0.130 20 0 CCADLP NC(=O)NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246864561 295075086 /nfs/dbraw/zinc/07/50/86/295075086.db2.gz PTWMKBDGMYYEHM-CMPLNLGQSA-N 2 2 280.372 0.130 20 0 CCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cscn1 ZINC000262063169 295226532 /nfs/dbraw/zinc/22/65/32/295226532.db2.gz RIVLSJLEPHVVRA-GFCCVEGCSA-N 2 2 282.413 0.963 20 0 CCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cscn1 ZINC000262063169 295226534 /nfs/dbraw/zinc/22/65/34/295226534.db2.gz RIVLSJLEPHVVRA-GFCCVEGCSA-N 2 2 282.413 0.963 20 0 CCADLP [NH3+][C@H](CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C1CC1 ZINC000423469967 295331873 /nfs/dbraw/zinc/33/18/73/295331873.db2.gz CQDPETZUDOEJCS-ZIAGYGMSSA-N 2 2 281.400 0.483 20 0 CCADLP [NH3+][C@H](CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C1CC1 ZINC000423469967 295331876 /nfs/dbraw/zinc/33/18/76/295331876.db2.gz CQDPETZUDOEJCS-ZIAGYGMSSA-N 2 2 281.400 0.483 20 0 CCADLP COc1ncccc1CC[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423143533 295465395 /nfs/dbraw/zinc/46/53/95/295465395.db2.gz XCLQPYHBAXXAAP-GXTWGEPZSA-N 2 2 279.384 0.989 20 0 CCADLP COC1(C[NH2+]CC(=O)N2CC[NH+](C)CC2)CCCC1 ZINC000389332487 545086928 /nfs/dbraw/zinc/08/69/28/545086928.db2.gz VHOWNTGSBCOYJK-UHFFFAOYSA-N 2 2 269.389 0.309 20 0 CCADLP C[C@H](C(=O)N1CCCC[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000428962424 298021163 /nfs/dbraw/zinc/02/11/63/298021163.db2.gz KCALUUXBFHBCKI-VXGBXAGGSA-N 2 2 255.362 0.047 20 0 CCADLP C[C@H](C(=O)NCC[C@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000458173853 298156125 /nfs/dbraw/zinc/15/61/25/298156125.db2.gz RWZWVXSGKMOJLS-ZIAGYGMSSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@H](C(=O)NCC[C@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000458173853 298156127 /nfs/dbraw/zinc/15/61/27/298156127.db2.gz RWZWVXSGKMOJLS-ZIAGYGMSSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@H](C(N)=O)[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000286738960 298242200 /nfs/dbraw/zinc/24/22/00/298242200.db2.gz KQMIJIKEVYGQHO-MBNYWOFBSA-N 2 2 293.415 0.609 20 0 CCADLP C[C@H](C(N)=O)[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000286738960 298242205 /nfs/dbraw/zinc/24/22/05/298242205.db2.gz KQMIJIKEVYGQHO-MBNYWOFBSA-N 2 2 293.415 0.609 20 0 CCADLP C[C@H](C(N)=O)[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000286738960 298242207 /nfs/dbraw/zinc/24/22/07/298242207.db2.gz KQMIJIKEVYGQHO-MBNYWOFBSA-N 2 2 293.415 0.609 20 0 CCADLP C[C@H](C(N)=O)[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000286738960 298242210 /nfs/dbraw/zinc/24/22/10/298242210.db2.gz KQMIJIKEVYGQHO-MBNYWOFBSA-N 2 2 293.415 0.609 20 0 CCADLP C[C@H]([NH3+])[C@H](C)Nc1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1 ZINC000420258243 298992004 /nfs/dbraw/zinc/99/20/04/298992004.db2.gz FWKWANNLRDQHMP-BJDJZHNGSA-N 2 2 279.388 0.831 20 0 CCADLP C[C@H]1CN(C(=O)C2(C[NH3+])CCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000178860645 300110653 /nfs/dbraw/zinc/11/06/53/300110653.db2.gz NKSDZZMJNXBVCL-KBPBESRZSA-N 2 2 295.427 0.685 20 0 CCADLP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000261652287 300252285 /nfs/dbraw/zinc/25/22/85/300252285.db2.gz BCRCWFRQSOBDAY-RDJZCZTQSA-N 3 2 294.487 0.944 20 0 CCADLP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000261652287 300252288 /nfs/dbraw/zinc/25/22/88/300252288.db2.gz BCRCWFRQSOBDAY-RDJZCZTQSA-N 3 2 294.487 0.944 20 0 CCADLP [NH3+][C@@H]1CCCC[C@H]1CC(=O)NCC[NH+]1CCOCC1 ZINC000055123598 303452794 /nfs/dbraw/zinc/45/27/94/303452794.db2.gz HCNSCULUZQKPMT-QWHCGFSZSA-N 2 2 269.389 0.342 20 0 CCADLP CCC[C@H](C[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1)OC ZINC000583495545 328522185 /nfs/dbraw/zinc/52/21/85/328522185.db2.gz KFQSSFKXUYKWDV-ZQDZILKHSA-N 2 2 288.432 0.861 20 0 CCADLP Cn1ncc2c1nc(NC[C@@H]1CCC[C@H]([NH3+])C1)[nH+]c2N ZINC000584163410 327054096 /nfs/dbraw/zinc/05/40/96/327054096.db2.gz ZXDXTLDDQSMPTN-BDAKNGLRSA-N 2 2 275.360 0.297 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CC(C)(C)CCO)C[C@H](C)O1 ZINC000584172828 327057393 /nfs/dbraw/zinc/05/73/93/327057393.db2.gz HJZNOJFQNFJWGS-HZSPNIEDSA-N 2 2 288.432 0.455 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CC(C)(C)CCO)C[C@H](C)O1 ZINC000584172828 327057395 /nfs/dbraw/zinc/05/73/95/327057395.db2.gz HJZNOJFQNFJWGS-HZSPNIEDSA-N 2 2 288.432 0.455 20 0 CCADLP CC(=O)N1CC([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000574889507 327202884 /nfs/dbraw/zinc/20/28/84/327202884.db2.gz BHCNYRGIJPIRRN-UHFFFAOYSA-N 2 2 251.374 0.681 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582122976 327227492 /nfs/dbraw/zinc/22/74/92/327227492.db2.gz YQRCSPWXYBREKE-HNNXBMFYSA-N 2 2 296.415 0.688 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582122976 327227493 /nfs/dbraw/zinc/22/74/93/327227493.db2.gz YQRCSPWXYBREKE-HNNXBMFYSA-N 2 2 296.415 0.688 20 0 CCADLP C[C@H](CC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)n1cc[nH+]c1 ZINC000573856322 327264808 /nfs/dbraw/zinc/26/48/08/327264808.db2.gz WGMXEURCAAIAEV-FRRDWIJNSA-N 2 2 262.357 0.902 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000578387143 327332966 /nfs/dbraw/zinc/33/29/66/327332966.db2.gz OSKDEPPXRXOXAP-NSHDSACASA-N 2 2 262.357 0.706 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000578387143 327332967 /nfs/dbraw/zinc/33/29/67/327332967.db2.gz OSKDEPPXRXOXAP-NSHDSACASA-N 2 2 262.357 0.706 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)COC1CCOCC1 ZINC000574565530 327349424 /nfs/dbraw/zinc/34/94/24/327349424.db2.gz VKLJTZKCYKRXHG-INWMFGNUSA-N 2 2 298.427 0.615 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)COC1CCOCC1 ZINC000574565530 327349425 /nfs/dbraw/zinc/34/94/25/327349425.db2.gz VKLJTZKCYKRXHG-INWMFGNUSA-N 2 2 298.427 0.615 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](O)COC1CCOCC1 ZINC000574565539 327349474 /nfs/dbraw/zinc/34/94/74/327349474.db2.gz VKLJTZKCYKRXHG-XPKDYRNWSA-N 2 2 298.427 0.615 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](O)COC1CCOCC1 ZINC000574565539 327349475 /nfs/dbraw/zinc/34/94/75/327349475.db2.gz VKLJTZKCYKRXHG-XPKDYRNWSA-N 2 2 298.427 0.615 20 0 CCADLP Cn1cc([C@@H]2C[N@H+](C[C@H]3CCCC[C@H]3O)C[C@H]2[NH3+])cn1 ZINC000583697954 329068766 /nfs/dbraw/zinc/06/87/66/329068766.db2.gz DUEHNJQZHMLSAZ-FAAHXZRKSA-N 2 2 278.400 0.698 20 0 CCADLP Cn1cc([C@@H]2C[N@@H+](C[C@H]3CCCC[C@H]3O)C[C@H]2[NH3+])cn1 ZINC000583697954 329068768 /nfs/dbraw/zinc/06/87/68/329068768.db2.gz DUEHNJQZHMLSAZ-FAAHXZRKSA-N 2 2 278.400 0.698 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)C[C@H](C)[N@H+]1C ZINC000583702992 329085854 /nfs/dbraw/zinc/08/58/54/329085854.db2.gz KHTIJUHYFFEFOE-TXEJJXNPSA-N 2 2 253.390 0.879 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)C[C@H](C)[N@@H+]1C ZINC000583702992 329085856 /nfs/dbraw/zinc/08/58/56/329085856.db2.gz KHTIJUHYFFEFOE-TXEJJXNPSA-N 2 2 253.390 0.879 20 0 CCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCc1[nH]cc[nH+]1 ZINC000582657301 329125663 /nfs/dbraw/zinc/12/56/63/329125663.db2.gz UYDQEVVOJXSPIB-UHFFFAOYSA-N 3 2 281.404 0.294 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000582909523 329287051 /nfs/dbraw/zinc/28/70/51/329287051.db2.gz OBRRUZIZHBJHLR-BPUTZDHNSA-N 3 2 281.444 0.906 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000582909523 329287052 /nfs/dbraw/zinc/28/70/52/329287052.db2.gz OBRRUZIZHBJHLR-BPUTZDHNSA-N 3 2 281.444 0.906 20 0 CCADLP C[NH2+]C[C@](C)(O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000582909523 329287053 /nfs/dbraw/zinc/28/70/53/329287053.db2.gz OBRRUZIZHBJHLR-BPUTZDHNSA-N 3 2 281.444 0.906 20 0 CCADLP C[NH2+]C[C@](C)(O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000582909523 329287054 /nfs/dbraw/zinc/28/70/54/329287054.db2.gz OBRRUZIZHBJHLR-BPUTZDHNSA-N 3 2 281.444 0.906 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000580532411 335107555 /nfs/dbraw/zinc/10/75/55/335107555.db2.gz UFEFYQDKJDYIDX-CYBMUJFWSA-N 2 2 298.431 0.539 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000580532411 335107556 /nfs/dbraw/zinc/10/75/56/335107556.db2.gz UFEFYQDKJDYIDX-CYBMUJFWSA-N 2 2 298.431 0.539 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000575917971 335130839 /nfs/dbraw/zinc/13/08/39/335130839.db2.gz IMRNGEWMKATOBO-UHFFFAOYSA-N 2 2 266.345 0.064 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000575936433 335133874 /nfs/dbraw/zinc/13/38/74/335133874.db2.gz UPUCSAJQKHNLSN-CYBMUJFWSA-N 2 2 265.361 0.941 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000575936433 335133875 /nfs/dbraw/zinc/13/38/75/335133875.db2.gz UPUCSAJQKHNLSN-CYBMUJFWSA-N 2 2 265.361 0.941 20 0 CCADLP CC[N@H+](C)C[C@H](O)CN1CC[NH+](Cc2cccnc2)CC1 ZINC000575944321 335134423 /nfs/dbraw/zinc/13/44/23/335134423.db2.gz SQTVLRXINTZFKU-INIZCTEOSA-N 2 2 292.427 0.512 20 0 CCADLP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](Cc2cccnc2)CC1 ZINC000575944321 335134425 /nfs/dbraw/zinc/13/44/25/335134425.db2.gz SQTVLRXINTZFKU-INIZCTEOSA-N 2 2 292.427 0.512 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H]1C[C@@H](OC)C1 ZINC000576050276 335146249 /nfs/dbraw/zinc/14/62/49/335146249.db2.gz CCRARNNZQSIBAN-UPJWGTAASA-N 2 2 260.378 0.035 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H]1C[C@@H](OC)C1 ZINC000576050276 335146251 /nfs/dbraw/zinc/14/62/51/335146251.db2.gz CCRARNNZQSIBAN-UPJWGTAASA-N 2 2 260.378 0.035 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H]1C[C@@H](OC)C1 ZINC000576050276 335146252 /nfs/dbraw/zinc/14/62/52/335146252.db2.gz CCRARNNZQSIBAN-UPJWGTAASA-N 2 2 260.378 0.035 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H]1C[C@@H](OC)C1 ZINC000576050276 335146254 /nfs/dbraw/zinc/14/62/54/335146254.db2.gz CCRARNNZQSIBAN-UPJWGTAASA-N 2 2 260.378 0.035 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@H](C[NH3+])C2CCCCC2)[C@H](C[NH3+])C1 ZINC000576134878 335159211 /nfs/dbraw/zinc/15/92/11/335159211.db2.gz RDGVCRAIDKYNEO-ZIAGYGMSSA-N 3 2 297.447 0.178 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccsc1 ZINC000576225527 335173445 /nfs/dbraw/zinc/17/34/45/335173445.db2.gz RJHGLNTZBQUTAJ-JQWIXIFHSA-N 2 2 267.398 0.953 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccsc1 ZINC000576225527 335173447 /nfs/dbraw/zinc/17/34/47/335173447.db2.gz RJHGLNTZBQUTAJ-JQWIXIFHSA-N 2 2 267.398 0.953 20 0 CCADLP [NH3+]Cc1cc(C(=O)N2CC[NH2+]C[C@H]2C(F)F)co1 ZINC000576228325 335173976 /nfs/dbraw/zinc/17/39/76/335173976.db2.gz IYTJXUNQZFGRDI-VIFPVBQESA-N 2 2 259.256 0.417 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)NC[C@](C)(O)C[NH+](C)C)ccn12 ZINC000576238707 335176285 /nfs/dbraw/zinc/17/62/85/335176285.db2.gz GAHUVJRNCAXZMW-HNNXBMFYSA-N 2 2 290.367 0.685 20 0 CCADLP Cc1ccc2[nH+]c(CN3C[C@H](O)[C@@H]([NH+](C)C)C3)cn2c1 ZINC000572982424 334897704 /nfs/dbraw/zinc/89/77/04/334897704.db2.gz VIQPVDKDEHJCAZ-KBPBESRZSA-N 2 2 274.368 0.749 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000573259460 334922459 /nfs/dbraw/zinc/92/24/59/334922459.db2.gz XUWYXUJZYSZGKW-LLVKDONJSA-N 2 2 280.372 0.729 20 0 CCADLP Nc1[nH+]cnc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1Cl ZINC000576493843 335211452 /nfs/dbraw/zinc/21/14/52/335211452.db2.gz HDJOEGXYVGCYKD-BIIVOSGPSA-N 2 2 253.737 0.886 20 0 CCADLP Nc1nc[nH+]c(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1Cl ZINC000576493843 335211453 /nfs/dbraw/zinc/21/14/53/335211453.db2.gz HDJOEGXYVGCYKD-BIIVOSGPSA-N 2 2 253.737 0.886 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000576701548 335236670 /nfs/dbraw/zinc/23/66/70/335236670.db2.gz GSHWBFQESPUTPP-MELADBBJSA-N 2 2 298.431 0.618 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000577121607 335303812 /nfs/dbraw/zinc/30/38/12/335303812.db2.gz GOZDCEMOASZVIM-IHRRRGAJSA-N 2 2 272.389 0.179 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000577121607 335303813 /nfs/dbraw/zinc/30/38/13/335303813.db2.gz GOZDCEMOASZVIM-IHRRRGAJSA-N 2 2 272.389 0.179 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000577121607 335303815 /nfs/dbraw/zinc/30/38/15/335303815.db2.gz GOZDCEMOASZVIM-IHRRRGAJSA-N 2 2 272.389 0.179 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000577121607 335303817 /nfs/dbraw/zinc/30/38/17/335303817.db2.gz GOZDCEMOASZVIM-IHRRRGAJSA-N 2 2 272.389 0.179 20 0 CCADLP C[C@@H](CCC1CC1)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000580632052 335306853 /nfs/dbraw/zinc/30/68/53/335306853.db2.gz KJUXLNVZABIZEH-AAEUAGOBSA-N 2 2 268.405 0.849 20 0 CCADLP C[C@@H](CCC1CC1)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000580632052 335306854 /nfs/dbraw/zinc/30/68/54/335306854.db2.gz KJUXLNVZABIZEH-AAEUAGOBSA-N 2 2 268.405 0.849 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000577164207 335312918 /nfs/dbraw/zinc/31/29/18/335312918.db2.gz UMDQUQHYSNLYDM-HIFRSBDPSA-N 2 2 296.415 0.102 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000577164207 335312919 /nfs/dbraw/zinc/31/29/19/335312919.db2.gz UMDQUQHYSNLYDM-HIFRSBDPSA-N 2 2 296.415 0.102 20 0 CCADLP [NH3+][C@H](C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1c(F)cccc1F ZINC000577367437 335343120 /nfs/dbraw/zinc/34/31/20/335343120.db2.gz GGMZEYJCZBFXRI-RWEMILLDSA-N 2 2 281.306 0.642 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCc2cnccn2)C[C@H](C)O1 ZINC000577485423 335357480 /nfs/dbraw/zinc/35/74/80/335357480.db2.gz VMGNMSIKWZAEPQ-GUTXKFCHSA-N 2 2 294.399 0.079 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCc2cnccn2)C[C@H](C)O1 ZINC000577485423 335357482 /nfs/dbraw/zinc/35/74/82/335357482.db2.gz VMGNMSIKWZAEPQ-GUTXKFCHSA-N 2 2 294.399 0.079 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000577490084 335358171 /nfs/dbraw/zinc/35/81/71/335358171.db2.gz JIQFDEKJUNZNGT-YPMHNXCESA-N 2 2 262.357 0.515 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000577490084 335358173 /nfs/dbraw/zinc/35/81/73/335358173.db2.gz JIQFDEKJUNZNGT-YPMHNXCESA-N 2 2 262.357 0.515 20 0 CCADLP C[C@@H]1CCC[C@@H](OCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000577491282 335358407 /nfs/dbraw/zinc/35/84/07/335358407.db2.gz MZTPRXMKLZXRLZ-MGPQQGTHSA-N 2 2 283.416 0.683 20 0 CCADLP O=S1(=O)CCC[C@H](C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)C1 ZINC000577960484 335439888 /nfs/dbraw/zinc/43/98/88/335439888.db2.gz JBKGFZHDYKQMCC-GFCCVEGCSA-N 2 2 298.412 0.357 20 0 CCADLP CN(C)C(=O)CCC[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000578080149 335482735 /nfs/dbraw/zinc/48/27/35/335482735.db2.gz OGPFHFRPLUFBTP-UHFFFAOYSA-N 2 2 293.415 0.406 20 0 CCADLP O=C(NCc1[nH]cc[nH+]1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000578622941 335654787 /nfs/dbraw/zinc/65/47/87/335654787.db2.gz FFZRUHXKRRZZKQ-HNNXBMFYSA-N 2 2 270.336 0.957 20 0 CCADLP O=C(Cc1cn2ccccc2[nH+]1)NC[C@H]1C[NH2+]CCCO1 ZINC000579236041 335725213 /nfs/dbraw/zinc/72/52/13/335725213.db2.gz STKHBWNRROATAQ-CYBMUJFWSA-N 2 2 288.351 0.372 20 0 CCADLP CO[C@@H]([C@@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C1CC1 ZINC000581121345 336010922 /nfs/dbraw/zinc/01/09/22/336010922.db2.gz MPMLYNVSXYLOLR-RTXFEEFZSA-N 2 2 284.404 0.084 20 0 CCADLP CO[C@@H]([C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C1CC1 ZINC000581121345 336010923 /nfs/dbraw/zinc/01/09/23/336010923.db2.gz MPMLYNVSXYLOLR-RTXFEEFZSA-N 2 2 284.404 0.084 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@@H](C)C1 ZINC000381165012 336052995 /nfs/dbraw/zinc/05/29/95/336052995.db2.gz TXWMOPLKCXRIHF-IHRRRGAJSA-N 2 2 258.406 0.903 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@@H](C)C1 ZINC000381165012 336052996 /nfs/dbraw/zinc/05/29/96/336052996.db2.gz TXWMOPLKCXRIHF-IHRRRGAJSA-N 2 2 258.406 0.903 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000381165012 336052997 /nfs/dbraw/zinc/05/29/97/336052997.db2.gz TXWMOPLKCXRIHF-IHRRRGAJSA-N 2 2 258.406 0.903 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000381165012 336052999 /nfs/dbraw/zinc/05/29/99/336052999.db2.gz TXWMOPLKCXRIHF-IHRRRGAJSA-N 2 2 258.406 0.903 20 0 CCADLP COc1nccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)n1 ZINC000581558339 336103008 /nfs/dbraw/zinc/10/30/08/336103008.db2.gz MZXIJNBAYVAHBF-UHFFFAOYSA-N 2 2 280.372 0.422 20 0 CCADLP CN(C)S(=O)(=O)c1cccc(C[N@H+](C)C2CC([NH3+])C2)c1 ZINC000384914670 336134362 /nfs/dbraw/zinc/13/43/62/336134362.db2.gz YWYXQRWNGYXEIG-UHFFFAOYSA-N 2 2 297.424 0.858 20 0 CCADLP CN(C)S(=O)(=O)c1cccc(C[N@@H+](C)C2CC([NH3+])C2)c1 ZINC000384914670 336134364 /nfs/dbraw/zinc/13/43/64/336134364.db2.gz YWYXQRWNGYXEIG-UHFFFAOYSA-N 2 2 297.424 0.858 20 0 CCADLP CCOc1cccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)n1 ZINC000581773892 336145633 /nfs/dbraw/zinc/14/56/33/336145633.db2.gz YHDKSFLHLSWVAS-ZDUSSCGKSA-N 2 2 265.357 0.948 20 0 CCADLP C[N@@H+]1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)[C@@H](C[NH3+])C1 ZINC000581776917 336145746 /nfs/dbraw/zinc/14/57/46/336145746.db2.gz DUTOSCNUIGSMLI-GJZGRUSLSA-N 3 2 290.411 0.568 20 0 CCADLP C[N@H+]1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)[C@@H](C[NH3+])C1 ZINC000581776917 336145748 /nfs/dbraw/zinc/14/57/48/336145748.db2.gz DUTOSCNUIGSMLI-GJZGRUSLSA-N 3 2 290.411 0.568 20 0 CCADLP CC[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000385585880 336152083 /nfs/dbraw/zinc/15/20/83/336152083.db2.gz AAZBUZYKHSWMHQ-MGPQQGTHSA-N 2 2 274.405 0.018 20 0 CCADLP CC[C@@H]1[C@@H](CO)CC[N@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000385585880 336152084 /nfs/dbraw/zinc/15/20/84/336152084.db2.gz AAZBUZYKHSWMHQ-MGPQQGTHSA-N 2 2 274.405 0.018 20 0 CCADLP CC[C@@H]1[C@@H](CO)CC[NH+]1C[C@H](O)C[N@H+](C)CCOC ZINC000385585880 336152085 /nfs/dbraw/zinc/15/20/85/336152085.db2.gz AAZBUZYKHSWMHQ-MGPQQGTHSA-N 2 2 274.405 0.018 20 0 CCADLP CC[C@@H]1[C@@H](CO)CC[NH+]1C[C@H](O)C[N@@H+](C)CCOC ZINC000385585880 336152086 /nfs/dbraw/zinc/15/20/86/336152086.db2.gz AAZBUZYKHSWMHQ-MGPQQGTHSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCS[C@@H](C)[C@H]1C ZINC000386445675 336174836 /nfs/dbraw/zinc/17/48/36/336174836.db2.gz QOWOACPTEWNXCR-AGIUHOORSA-N 2 2 276.446 0.751 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCS[C@@H](C)[C@H]1C ZINC000386445675 336174837 /nfs/dbraw/zinc/17/48/37/336174837.db2.gz QOWOACPTEWNXCR-AGIUHOORSA-N 2 2 276.446 0.751 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCS[C@@H](C)[C@H]1C ZINC000386445675 336174838 /nfs/dbraw/zinc/17/48/38/336174838.db2.gz QOWOACPTEWNXCR-AGIUHOORSA-N 2 2 276.446 0.751 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCS[C@@H](C)[C@H]1C ZINC000386445675 336174839 /nfs/dbraw/zinc/17/48/39/336174839.db2.gz QOWOACPTEWNXCR-AGIUHOORSA-N 2 2 276.446 0.751 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)[C@@H]([NH3+])c2cscn2)CC1 ZINC000582000358 336188150 /nfs/dbraw/zinc/18/81/50/336188150.db2.gz JGYHGDAQVVDFPT-NSHDSACASA-N 2 2 268.386 0.696 20 0 CCADLP [NH3+]Cc1nnc(-c2ccc(NC(=O)[C@]34C[C@H]3CC[NH2+]4)cc2)[nH]1 ZINC000582004115 336189529 /nfs/dbraw/zinc/18/95/29/336189529.db2.gz FRPCUIDMIOYWON-BMIGLBTASA-N 2 2 298.350 0.621 20 0 CCADLP CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000339968926 521663561 /nfs/dbraw/zinc/66/35/61/521663561.db2.gz KVYWSXYCLBGRIJ-GFCCVEGCSA-N 2 2 271.430 0.588 20 0 CCADLP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000358152679 533794820 /nfs/dbraw/zinc/79/48/20/533794820.db2.gz HLAMHJFEPJHZBP-KFWWJZLASA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)[C@H]1CCOC1 ZINC000449397081 533881428 /nfs/dbraw/zinc/88/14/28/533881428.db2.gz NYHSXKPZFMVVBM-IHRRRGAJSA-N 2 2 256.390 0.848 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)[C@H]1CCOC1 ZINC000449397081 533881433 /nfs/dbraw/zinc/88/14/33/533881433.db2.gz NYHSXKPZFMVVBM-IHRRRGAJSA-N 2 2 256.390 0.848 20 0 CCADLP CN(C)C(=O)CC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000516488337 536074698 /nfs/dbraw/zinc/07/46/98/536074698.db2.gz MWJFRWGYFOZKFH-LLVKDONJSA-N 2 2 250.346 0.688 20 0 CCADLP CN(C)C(=O)CC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000516488337 536074701 /nfs/dbraw/zinc/07/47/01/536074701.db2.gz MWJFRWGYFOZKFH-LLVKDONJSA-N 2 2 250.346 0.688 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N1CCCC[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000417519556 518183849 /nfs/dbraw/zinc/18/38/49/518183849.db2.gz MOBYDGAXXIQJEC-MJBXVCDLSA-N 2 2 298.431 0.618 20 0 CCADLP CCOCCOC[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000357857696 519999170 /nfs/dbraw/zinc/99/91/70/519999170.db2.gz VOBXDGDRTDVWDZ-GZBFAFLISA-N 2 2 286.416 0.615 20 0 CCADLP CCOCCOC[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000357857696 519999181 /nfs/dbraw/zinc/99/91/81/519999181.db2.gz VOBXDGDRTDVWDZ-GZBFAFLISA-N 2 2 286.416 0.615 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366549145 520737207 /nfs/dbraw/zinc/73/72/07/520737207.db2.gz DPRQQHWVIIWKNK-HNNXBMFYSA-N 2 2 297.399 0.036 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366549145 520737214 /nfs/dbraw/zinc/73/72/14/520737214.db2.gz DPRQQHWVIIWKNK-HNNXBMFYSA-N 2 2 297.399 0.036 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366549145 520737223 /nfs/dbraw/zinc/73/72/23/520737223.db2.gz DPRQQHWVIIWKNK-HNNXBMFYSA-N 2 2 297.399 0.036 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366549145 520737231 /nfs/dbraw/zinc/73/72/31/520737231.db2.gz DPRQQHWVIIWKNK-HNNXBMFYSA-N 2 2 297.399 0.036 20 0 CCADLP O=C(NC[C@@H]1CCC[NH2+]1)N1CC[NH+](Cc2ccco2)CC1 ZINC000418371266 534566706 /nfs/dbraw/zinc/56/67/06/534566706.db2.gz POCWCEGRFKGYLL-ZDUSSCGKSA-N 2 2 292.383 0.859 20 0 CCADLP CC[NH+]1CCC([NH2+]C[C@@H]2CCCS2(=O)=O)CC1 ZINC000156605713 521581299 /nfs/dbraw/zinc/58/12/99/521581299.db2.gz GPPGYMHEOUTIIX-LBPRGKRZSA-N 2 2 260.403 0.638 20 0 CCADLP CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000339968926 521663560 /nfs/dbraw/zinc/66/35/60/521663560.db2.gz KVYWSXYCLBGRIJ-GFCCVEGCSA-N 2 2 271.430 0.588 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150841610 521742029 /nfs/dbraw/zinc/74/20/29/521742029.db2.gz FASQTWQPPSDOOD-QWHCGFSZSA-N 2 2 296.415 0.638 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150841610 521742030 /nfs/dbraw/zinc/74/20/30/521742030.db2.gz FASQTWQPPSDOOD-QWHCGFSZSA-N 2 2 296.415 0.638 20 0 CCADLP [NH3+]C[C@@H](NC(=O)N1CC[NH+](Cc2ccco2)CC1)C1CC1 ZINC000418413256 534664866 /nfs/dbraw/zinc/66/48/66/534664866.db2.gz YUMBNDBASXZBMA-CQSZACIVSA-N 2 2 292.383 0.844 20 0 CCADLP O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)[C@@H]1C[NH2+]CCO1 ZINC000423837947 534668525 /nfs/dbraw/zinc/66/85/25/534668525.db2.gz HTSHDQAOGJUHIA-ZDUSSCGKSA-N 2 2 286.335 0.681 20 0 CCADLP [NH3+][C@H](C(=O)NCC[N@@H+]1CCCOCC1)c1ccccc1 ZINC000423833568 534718896 /nfs/dbraw/zinc/71/88/96/534718896.db2.gz SZZRBUMOODMZGH-AWEZNQCLSA-N 2 2 277.368 0.525 20 0 CCADLP [NH3+][C@H](C(=O)NCC[N@H+]1CCCOCC1)c1ccccc1 ZINC000423833568 534718911 /nfs/dbraw/zinc/71/89/11/534718911.db2.gz SZZRBUMOODMZGH-AWEZNQCLSA-N 2 2 277.368 0.525 20 0 CCADLP C[NH+]1CCC(CC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000365866427 523753614 /nfs/dbraw/zinc/75/36/14/523753614.db2.gz NGGXFSHKWBPTOD-HNNXBMFYSA-N 2 2 295.427 0.651 20 0 CCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)C[NH+](C)C)C1 ZINC000150929988 524042415 /nfs/dbraw/zinc/04/24/15/524042415.db2.gz YVNUFFIRIVISJR-LBPRGKRZSA-N 2 2 264.373 0.763 20 0 CCADLP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359292967 524099189 /nfs/dbraw/zinc/09/91/89/524099189.db2.gz AMNJQPCUQMRJMS-IHRRRGAJSA-N 2 2 265.401 0.785 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000156669908 524356166 /nfs/dbraw/zinc/35/61/66/524356166.db2.gz AENCTQPWKDFSIL-GFCCVEGCSA-N 2 2 289.379 0.740 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H](CO)O2)C[N@@H+]1C1CC1 ZINC000340409416 525438727 /nfs/dbraw/zinc/43/87/27/525438727.db2.gz AGPHMOGEXLPVJD-XWUBHJNHSA-N 2 2 254.374 0.741 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H](CO)O2)C[N@H+]1C1CC1 ZINC000340409416 525438735 /nfs/dbraw/zinc/43/87/35/525438735.db2.gz AGPHMOGEXLPVJD-XWUBHJNHSA-N 2 2 254.374 0.741 20 0 CCADLP CC(C)[N@H+](C)CCNc1nc[nH+]c2c1OCCN2 ZINC000665697602 545103482 /nfs/dbraw/zinc/10/34/82/545103482.db2.gz GTKRDORKAPNNQK-UHFFFAOYSA-N 2 2 251.334 0.146 20 0 CCADLP CC(C)[N@@H+](C)CCNc1nc[nH+]c2c1OCCN2 ZINC000665697602 545103483 /nfs/dbraw/zinc/10/34/83/545103483.db2.gz GTKRDORKAPNNQK-UHFFFAOYSA-N 2 2 251.334 0.146 20 0 CCADLP C1=CC[NH+]([C@H]2CCN(c3nc[nH+]c4c3OCCN4)C2)C1 ZINC000665703198 545103910 /nfs/dbraw/zinc/10/39/10/545103910.db2.gz SPCMTTQFSZJARM-NSHDSACASA-N 2 2 273.340 0.731 20 0 CCADLP C[C@@H]1CN(c2nc[nH+]c3c2OCCN3)C[C@H]1[NH+](C)C ZINC000665706088 545104306 /nfs/dbraw/zinc/10/43/06/545104306.db2.gz QLVFOVMCMUNUPA-NXEZZACHSA-N 2 2 263.345 0.667 20 0 CCADLP CC(C)[C@@H](CNC(=O)C1([NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000665829072 545108311 /nfs/dbraw/zinc/10/83/11/545108311.db2.gz TUARRJXWSVELKC-CYBMUJFWSA-N 2 2 283.416 0.554 20 0 CCADLP C[NH+](C)C1(C(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000666326526 545119972 /nfs/dbraw/zinc/11/99/72/545119972.db2.gz IVJBQBBAZAHZGQ-UHFFFAOYSA-N 2 2 282.432 0.224 20 0 CCADLP O=C(NC[C@@H]1C[NH2+]CCCO1)Nc1ccc2[nH+]ccn2c1 ZINC000667120594 545138860 /nfs/dbraw/zinc/13/88/60/545138860.db2.gz UXEYKBNUJADQBO-LBPRGKRZSA-N 2 2 289.339 0.834 20 0 CCADLP C[N@H+]1CCN(C(=O)Nc2ccc(C3CC3)nn2)[C@H](C[NH3+])C1 ZINC000667219667 545141328 /nfs/dbraw/zinc/14/13/28/545141328.db2.gz ZWIJKIPQDHHBBW-LLVKDONJSA-N 2 2 290.371 0.461 20 0 CCADLP NS(=O)(=O)[C@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000364926373 527302044 /nfs/dbraw/zinc/30/20/44/527302044.db2.gz ZSQODDNJNJKXLU-NSHDSACASA-N 2 2 272.374 0.026 20 0 CCADLP NS(=O)(=O)[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000364926373 527302048 /nfs/dbraw/zinc/30/20/48/527302048.db2.gz ZSQODDNJNJKXLU-NSHDSACASA-N 2 2 272.374 0.026 20 0 CCADLP c1nn2c(c1C[N@H+]1CC[C@H](C[NH+]3CCOCC3)C1)CCC2 ZINC000667670246 545153287 /nfs/dbraw/zinc/15/32/87/545153287.db2.gz IDUZTUVRXOPJTK-CQSZACIVSA-N 2 2 290.411 0.983 20 0 CCADLP c1nn2c(c1C[N@@H+]1CC[C@H](C[NH+]3CCOCC3)C1)CCC2 ZINC000667670246 545153288 /nfs/dbraw/zinc/15/32/88/545153288.db2.gz IDUZTUVRXOPJTK-CQSZACIVSA-N 2 2 290.411 0.983 20 0 CCADLP c1ncn([C@@H]2CC[N@@H+](Cc3c[nH+]c4n3CCC4)C2)n1 ZINC000668007682 545160970 /nfs/dbraw/zinc/16/09/70/545160970.db2.gz BAZAURZOJCRIFC-LLVKDONJSA-N 2 2 258.329 0.868 20 0 CCADLP c1ncn([C@@H]2CC[N@H+](Cc3c[nH+]c4n3CCC4)C2)n1 ZINC000668007682 545160971 /nfs/dbraw/zinc/16/09/71/545160971.db2.gz BAZAURZOJCRIFC-LLVKDONJSA-N 2 2 258.329 0.868 20 0 CCADLP COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000668075557 545162718 /nfs/dbraw/zinc/16/27/18/545162718.db2.gz VHVOEPQXNLKKCB-HIFRSBDPSA-N 2 2 297.399 0.574 20 0 CCADLP COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000668075557 545162719 /nfs/dbraw/zinc/16/27/19/545162719.db2.gz VHVOEPQXNLKKCB-HIFRSBDPSA-N 2 2 297.399 0.574 20 0 CCADLP Cc1[nH+]cc(CN2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)n1C ZINC000668094011 545163438 /nfs/dbraw/zinc/16/34/38/545163438.db2.gz ZYMLYWQOYQTQDD-NWDGAFQWSA-N 2 2 266.389 0.615 20 0 CCADLP Cc1[nH+]cc(CN2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)n1C ZINC000668094011 545163439 /nfs/dbraw/zinc/16/34/39/545163439.db2.gz ZYMLYWQOYQTQDD-NWDGAFQWSA-N 2 2 266.389 0.615 20 0 CCADLP COCCOCC[N@H+](C)Cc1c[nH+]c2n1CCC2 ZINC000668176202 545166236 /nfs/dbraw/zinc/16/62/36/545166236.db2.gz NAODXOFYBJXWRE-UHFFFAOYSA-N 2 2 253.346 0.924 20 0 CCADLP COCCOCC[N@@H+](C)Cc1c[nH+]c2n1CCC2 ZINC000668176202 545166237 /nfs/dbraw/zinc/16/62/37/545166237.db2.gz NAODXOFYBJXWRE-UHFFFAOYSA-N 2 2 253.346 0.924 20 0 CCADLP O[C@H]1COCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668207716 545167370 /nfs/dbraw/zinc/16/73/70/545167370.db2.gz POHYZOPJZNLKIV-CQSZACIVSA-N 2 2 274.324 0.460 20 0 CCADLP O[C@H]1COCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668207716 545167371 /nfs/dbraw/zinc/16/73/71/545167371.db2.gz POHYZOPJZNLKIV-CQSZACIVSA-N 2 2 274.324 0.460 20 0 CCADLP OC[C@@H](O)C[NH2+]C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000364869837 527583970 /nfs/dbraw/zinc/58/39/70/527583970.db2.gz UBLQWSDJDZWLIY-HNNXBMFYSA-N 2 2 282.359 0.733 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)NCCCCn1cc[nH+]c1C ZINC000367254660 527718058 /nfs/dbraw/zinc/71/80/58/527718058.db2.gz IFUDJEBBTGVFOI-CQSZACIVSA-N 2 2 294.399 0.809 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)NCCCCn1cc[nH+]c1C ZINC000367254660 527718062 /nfs/dbraw/zinc/71/80/62/527718062.db2.gz IFUDJEBBTGVFOI-CQSZACIVSA-N 2 2 294.399 0.809 20 0 CCADLP CCN(C)C(=O)[C@@H]([NH2+][C@H](C)C[C@H]1COCC[NH2+]1)C(C)C ZINC000423155956 527765125 /nfs/dbraw/zinc/76/51/25/527765125.db2.gz KGORQATVJDUQEA-RDBSUJKOSA-N 2 2 285.432 0.846 20 0 CCADLP CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425348541 527771847 /nfs/dbraw/zinc/77/18/47/527771847.db2.gz YYNXJHLNNNXRRC-QWHCGFSZSA-N 2 2 282.388 0.770 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC000412874157 527792156 /nfs/dbraw/zinc/79/21/56/527792156.db2.gz IJTZCKTULMCGGC-HUUCEWRRSA-N 2 2 295.427 0.698 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC000412874157 527792161 /nfs/dbraw/zinc/79/21/61/527792161.db2.gz IJTZCKTULMCGGC-HUUCEWRRSA-N 2 2 295.427 0.698 20 0 CCADLP CC[NH+]1CC[C@@H](NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000412874157 527792168 /nfs/dbraw/zinc/79/21/68/527792168.db2.gz IJTZCKTULMCGGC-HUUCEWRRSA-N 2 2 295.427 0.698 20 0 CCADLP CC[NH+]1CC[C@@H](NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000412874157 527792174 /nfs/dbraw/zinc/79/21/74/527792174.db2.gz IJTZCKTULMCGGC-HUUCEWRRSA-N 2 2 295.427 0.698 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(O)CC[NH+](C)C2)[C@H](C)C1 ZINC000358223123 527880331 /nfs/dbraw/zinc/88/03/31/527880331.db2.gz ABJKHGMVYRTYAF-RDBSUJKOSA-N 3 2 255.406 0.373 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+]C[C@@]2(O)CC[NH+](C)C2)[C@H](C)C1 ZINC000358223123 527880334 /nfs/dbraw/zinc/88/03/34/527880334.db2.gz ABJKHGMVYRTYAF-RDBSUJKOSA-N 3 2 255.406 0.373 20 0 CCADLP CC[NH+]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)[C@H](C)C1 ZINC000358223123 527880337 /nfs/dbraw/zinc/88/03/37/527880337.db2.gz ABJKHGMVYRTYAF-RDBSUJKOSA-N 3 2 255.406 0.373 20 0 CCADLP CC[NH+]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)[C@H](C)C1 ZINC000358223123 527880338 /nfs/dbraw/zinc/88/03/38/527880338.db2.gz ABJKHGMVYRTYAF-RDBSUJKOSA-N 3 2 255.406 0.373 20 0 CCADLP CCO[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000451521730 528060932 /nfs/dbraw/zinc/06/09/32/528060932.db2.gz FLHSRHYPXKULIS-KBPBESRZSA-N 2 2 283.416 0.507 20 0 CCADLP CCO[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000451521730 528060937 /nfs/dbraw/zinc/06/09/37/528060937.db2.gz FLHSRHYPXKULIS-KBPBESRZSA-N 2 2 283.416 0.507 20 0 CCADLP CCOC(=O)c1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)[nH]c1C ZINC000449241506 528170857 /nfs/dbraw/zinc/17/08/57/528170857.db2.gz BKWAASFYCLQQNI-OAHLLOKOSA-N 2 2 295.383 0.656 20 0 CCADLP CCOC(=O)c1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)[nH]c1C ZINC000449241506 528170859 /nfs/dbraw/zinc/17/08/59/528170859.db2.gz BKWAASFYCLQQNI-OAHLLOKOSA-N 2 2 295.383 0.656 20 0 CCADLP Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1N ZINC000669512608 545211568 /nfs/dbraw/zinc/21/15/68/545211568.db2.gz MLEWMLAXUJITKO-GFCCVEGCSA-N 2 2 262.357 0.292 20 0 CCADLP Cc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1N ZINC000669512608 545211569 /nfs/dbraw/zinc/21/15/69/545211569.db2.gz MLEWMLAXUJITKO-GFCCVEGCSA-N 2 2 262.357 0.292 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cn21 ZINC000669554484 545214463 /nfs/dbraw/zinc/21/44/63/545214463.db2.gz BPAUJLNOIOSSDX-IMRBUKKESA-N 2 2 285.351 0.660 20 0 CCADLP C[C@H](CO)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000669699590 545219624 /nfs/dbraw/zinc/21/96/24/545219624.db2.gz MVWGCXDMFFNRCT-KBPBESRZSA-N 2 2 256.390 0.659 20 0 CCADLP C[C@H](CO)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000669699590 545219625 /nfs/dbraw/zinc/21/96/25/545219625.db2.gz MVWGCXDMFFNRCT-KBPBESRZSA-N 2 2 256.390 0.659 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)CC1 ZINC000669699148 545219700 /nfs/dbraw/zinc/21/97/00/545219700.db2.gz SXNARQDBLMJCBX-GZBFAFLISA-N 2 2 265.401 0.929 20 0 CCADLP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1ccc2[nH+]ccn2c1 ZINC000670409903 545233743 /nfs/dbraw/zinc/23/37/43/545233743.db2.gz WZTSYVOLHHJMCW-CQSZACIVSA-N 2 2 299.378 0.454 20 0 CCADLP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)c1ccc2[nH+]ccn2c1 ZINC000670409903 545233744 /nfs/dbraw/zinc/23/37/44/545233744.db2.gz WZTSYVOLHHJMCW-CQSZACIVSA-N 2 2 299.378 0.454 20 0 CCADLP CC[N@H+](CCNc1cc(NC[C@@H](C)O)[nH+]cn1)C(C)C ZINC000413117017 528518141 /nfs/dbraw/zinc/51/81/41/528518141.db2.gz QUFVAVGIUHJQSU-GFCCVEGCSA-N 2 2 281.404 0.833 20 0 CCADLP CC[N@@H+](CCNc1cc(NC[C@@H](C)O)[nH+]cn1)C(C)C ZINC000413117017 528518144 /nfs/dbraw/zinc/51/81/44/528518144.db2.gz QUFVAVGIUHJQSU-GFCCVEGCSA-N 2 2 281.404 0.833 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000449087780 528543228 /nfs/dbraw/zinc/54/32/28/528543228.db2.gz WQZUABQTZHJWBZ-NEPJUHHUSA-N 2 2 257.378 0.211 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000426331205 528743287 /nfs/dbraw/zinc/74/32/87/528743287.db2.gz QPYHCTQLMCAMNM-HNNXBMFYSA-N 2 2 295.427 0.794 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000426331205 528743295 /nfs/dbraw/zinc/74/32/95/528743295.db2.gz QPYHCTQLMCAMNM-HNNXBMFYSA-N 2 2 295.427 0.794 20 0 CCADLP CCOC(=O)C[N@@H+]1CCCN(C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000423720665 528809020 /nfs/dbraw/zinc/80/90/20/528809020.db2.gz ASYCYQLMWMKOBW-CYBMUJFWSA-N 2 2 297.399 0.226 20 0 CCADLP CCOC(=O)C[N@H+]1CCCN(C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000423720665 528809022 /nfs/dbraw/zinc/80/90/22/528809022.db2.gz ASYCYQLMWMKOBW-CYBMUJFWSA-N 2 2 297.399 0.226 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]CCC2CS(=O)(=O)C2)[C@@H]2CCC[C@@H]21 ZINC000671761983 545259447 /nfs/dbraw/zinc/25/94/47/545259447.db2.gz OIFONRGYDVCYNS-IHRRRGAJSA-N 2 2 286.441 0.884 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]CCC2CS(=O)(=O)C2)[C@@H]2CCC[C@@H]21 ZINC000671761983 545259448 /nfs/dbraw/zinc/25/94/48/545259448.db2.gz OIFONRGYDVCYNS-IHRRRGAJSA-N 2 2 286.441 0.884 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672158372 545264153 /nfs/dbraw/zinc/26/41/53/545264153.db2.gz XFOUHYUWVVTROJ-STQMWFEESA-N 2 2 292.383 0.282 20 0 CCADLP C[C@H](CF)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672874911 545274538 /nfs/dbraw/zinc/27/45/38/545274538.db2.gz ATAVXFVSSVCEQQ-VXGBXAGGSA-N 2 2 286.395 0.812 20 0 CCADLP C[C@H](CF)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672874911 545274539 /nfs/dbraw/zinc/27/45/39/545274539.db2.gz ATAVXFVSSVCEQQ-VXGBXAGGSA-N 2 2 286.395 0.812 20 0 CCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[NH2+]C[C@@](C)(F)C2)C1 ZINC000423691715 529045979 /nfs/dbraw/zinc/04/59/79/529045979.db2.gz PUOKAPVTNJSVPY-TZMCWYRMSA-N 2 2 287.379 0.256 20 0 CCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[NH2+]C[C@@](C)(F)C2)C1 ZINC000423691715 529045982 /nfs/dbraw/zinc/04/59/82/529045982.db2.gz PUOKAPVTNJSVPY-TZMCWYRMSA-N 2 2 287.379 0.256 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)NC[C@H]2CCC[NH2+]2)CCO1 ZINC000418368897 529292768 /nfs/dbraw/zinc/29/27/68/529292768.db2.gz NBPMRDLWKABXQI-OLZOCXBDSA-N 2 2 284.404 0.148 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)NC[C@H]2CCC[NH2+]2)CCO1 ZINC000418368897 529292771 /nfs/dbraw/zinc/29/27/71/529292771.db2.gz NBPMRDLWKABXQI-OLZOCXBDSA-N 2 2 284.404 0.148 20 0 CCADLP CC(C)[C@H](C)NC(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261769703 534961945 /nfs/dbraw/zinc/96/19/45/534961945.db2.gz OPEMMVOJCOASMU-KBPBESRZSA-N 2 2 282.432 0.127 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000674289806 545303228 /nfs/dbraw/zinc/30/32/28/545303228.db2.gz SJBKVQQTYQFGGP-LBPRGKRZSA-N 2 2 257.378 0.117 20 0 CCADLP CC(C)[C@H](C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)N1CCOCC1 ZINC000343087887 535019726 /nfs/dbraw/zinc/01/97/26/535019726.db2.gz XARPYGGQADKTSO-ZNMIVQPWSA-N 2 2 269.433 0.883 20 0 CCADLP CC(C)[C@H](C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)N1CCOCC1 ZINC000343087887 535019729 /nfs/dbraw/zinc/01/97/29/535019729.db2.gz XARPYGGQADKTSO-ZNMIVQPWSA-N 2 2 269.433 0.883 20 0 CCADLP CC(C)([NH3+])C[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000261935875 535199845 /nfs/dbraw/zinc/19/98/45/535199845.db2.gz MAWXISDRAZWVRR-CYBMUJFWSA-N 2 2 255.406 0.768 20 0 CCADLP CC(C)([NH3+])C[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000261935875 535199851 /nfs/dbraw/zinc/19/98/51/535199851.db2.gz MAWXISDRAZWVRR-CYBMUJFWSA-N 2 2 255.406 0.768 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000342135826 535274332 /nfs/dbraw/zinc/27/43/32/535274332.db2.gz QITRQMCUERZHQY-SECBINFHSA-N 2 2 256.350 0.080 20 0 CCADLP CC[C@@H](C(=O)NCC[NH+]1CCOCC1)[NH+](CC)CC ZINC000345786835 535412768 /nfs/dbraw/zinc/41/27/68/535412768.db2.gz AJOJWZDELVZWNF-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000675782834 545331474 /nfs/dbraw/zinc/33/14/74/545331474.db2.gz ZFAJMVAEPCWQQK-UONOGXRCSA-N 3 2 282.432 0.080 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000675782834 545331475 /nfs/dbraw/zinc/33/14/75/545331475.db2.gz ZFAJMVAEPCWQQK-UONOGXRCSA-N 3 2 282.432 0.080 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH2+]CC(=O)N2CCN(C)CC2)[C@@H](C)C1 ZINC000675782834 545331476 /nfs/dbraw/zinc/33/14/76/545331476.db2.gz ZFAJMVAEPCWQQK-UONOGXRCSA-N 2 2 282.432 0.080 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH2+]CC(=O)N2CCN(C)CC2)[C@@H](C)C1 ZINC000675782834 545331477 /nfs/dbraw/zinc/33/14/77/545331477.db2.gz ZFAJMVAEPCWQQK-UONOGXRCSA-N 2 2 282.432 0.080 20 0 CCADLP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000676694727 545348863 /nfs/dbraw/zinc/34/88/63/545348863.db2.gz AYSSIWDUPMYJPB-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000676694727 545348864 /nfs/dbraw/zinc/34/88/64/545348864.db2.gz AYSSIWDUPMYJPB-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP O=C(NCC[NH+]1CCC1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000677115279 545357862 /nfs/dbraw/zinc/35/78/62/545357862.db2.gz YNCIRPQOTOKOAU-CYBMUJFWSA-N 2 2 289.383 0.665 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)[C@@H](C)C1 ZINC000343281958 535783652 /nfs/dbraw/zinc/78/36/52/535783652.db2.gz HOWQABHMMHGFGR-HOCLYGCPSA-N 3 2 282.476 0.942 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)[C@@H](C)C1 ZINC000343281958 535783655 /nfs/dbraw/zinc/78/36/55/535783655.db2.gz HOWQABHMMHGFGR-HOCLYGCPSA-N 3 2 282.476 0.942 20 0 CCADLP CCN(Cc1ccccc1)C(=O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000309813529 535787454 /nfs/dbraw/zinc/78/74/54/535787454.db2.gz XFMVRIGTTNIYNU-CQSZACIVSA-N 2 2 279.384 0.287 20 0 CCADLP CCN(Cc1ccccc1)C(=O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000309813529 535787456 /nfs/dbraw/zinc/78/74/56/535787456.db2.gz XFMVRIGTTNIYNU-CQSZACIVSA-N 2 2 279.384 0.287 20 0 CCADLP C[NH+](C)CCOCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000345969608 535899869 /nfs/dbraw/zinc/89/98/69/535899869.db2.gz WNAWWUNFCWVIQE-LBPRGKRZSA-N 2 2 280.372 0.140 20 0 CCADLP CC[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cnn(C)c1 ZINC000361353395 535914344 /nfs/dbraw/zinc/91/43/44/535914344.db2.gz SYNIBMCTSKVOSS-KBPBESRZSA-N 2 2 265.405 0.707 20 0 CCADLP CC[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cnn(C)c1 ZINC000361353395 535914347 /nfs/dbraw/zinc/91/43/47/535914347.db2.gz SYNIBMCTSKVOSS-KBPBESRZSA-N 2 2 265.405 0.707 20 0 CCADLP Cc1cc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)nn1C ZINC000677695522 545371062 /nfs/dbraw/zinc/37/10/62/545371062.db2.gz VTQLVOUTJYPEQV-UHFFFAOYSA-N 2 2 274.372 0.784 20 0 CCADLP COCC[C@@H](C)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000678079792 545383863 /nfs/dbraw/zinc/38/38/63/545383863.db2.gz DAIDCKFNCRTNQE-TZMCWYRMSA-N 2 2 283.416 0.826 20 0 CCADLP COCC[C@@H](C)[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000678079792 545383864 /nfs/dbraw/zinc/38/38/64/545383864.db2.gz DAIDCKFNCRTNQE-TZMCWYRMSA-N 2 2 283.416 0.826 20 0 CCADLP CS(=O)(=O)Nc1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000678343627 545389393 /nfs/dbraw/zinc/38/93/93/545389393.db2.gz VNKDZRHUEKRGNE-BETUJISGSA-N 2 2 295.408 0.709 20 0 CCADLP CS(=O)(=O)Nc1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000678343627 545389394 /nfs/dbraw/zinc/38/93/94/545389394.db2.gz VNKDZRHUEKRGNE-BETUJISGSA-N 2 2 295.408 0.709 20 0 CCADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)[C@@H]1COC[C@@H]1O ZINC000361394451 536342895 /nfs/dbraw/zinc/34/28/95/536342895.db2.gz FOEKPUQRPLCXGP-KGLIPLIRSA-N 2 2 268.357 0.793 20 0 CCADLP C[NH+](CCC[N@H+](C)Cc1ccco1)[C@@H]1COC[C@@H]1O ZINC000361394451 536342898 /nfs/dbraw/zinc/34/28/98/536342898.db2.gz FOEKPUQRPLCXGP-KGLIPLIRSA-N 2 2 268.357 0.793 20 0 CCADLP C[NH+](CCC[N@H+](C)[C@@H]1COC[C@@H]1O)Cc1ccco1 ZINC000361394451 536342899 /nfs/dbraw/zinc/34/28/99/536342899.db2.gz FOEKPUQRPLCXGP-KGLIPLIRSA-N 2 2 268.357 0.793 20 0 CCADLP C[NH+](CCC[N@@H+](C)[C@@H]1COC[C@@H]1O)Cc1ccco1 ZINC000361394451 536342901 /nfs/dbraw/zinc/34/29/01/536342901.db2.gz FOEKPUQRPLCXGP-KGLIPLIRSA-N 2 2 268.357 0.793 20 0 CCADLP COC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000262401950 536660002 /nfs/dbraw/zinc/66/00/02/536660002.db2.gz ZTCFYDBSFBCVDI-GXTWGEPZSA-N 2 2 292.383 0.261 20 0 CCADLP C[C@H](C(=O)Nc1cc(N(C)C)cc[nH+]1)N1CC[NH+](C)CC1 ZINC000680260565 545424529 /nfs/dbraw/zinc/42/45/29/545424529.db2.gz XBDGIKUCQNUNDG-GFCCVEGCSA-N 2 2 291.399 0.722 20 0 CCADLP O[C@@H]1C[C@H](O)C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000680330151 545425739 /nfs/dbraw/zinc/42/57/39/545425739.db2.gz XXFXRCUADXIMEL-TXEJJXNPSA-N 2 2 279.365 0.861 20 0 CCADLP O[C@@H]1C[C@H](O)C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000680330151 545425740 /nfs/dbraw/zinc/42/57/40/545425740.db2.gz XXFXRCUADXIMEL-TXEJJXNPSA-N 2 2 279.365 0.861 20 0 CCADLP NC(=O)c1c[nH+]ccc1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000680829019 545435366 /nfs/dbraw/zinc/43/53/66/545435366.db2.gz UVAADXVGMLZMJK-KBPBESRZSA-N 2 2 290.367 0.216 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000682469222 545480058 /nfs/dbraw/zinc/48/00/58/545480058.db2.gz WCLAKMGXWUNOTQ-QWHCGFSZSA-N 2 2 276.384 0.902 20 0 CCADLP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000682492655 545480685 /nfs/dbraw/zinc/48/06/85/545480685.db2.gz DGVVRVXMZXCAGG-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000682492655 545480686 /nfs/dbraw/zinc/48/06/86/545480686.db2.gz DGVVRVXMZXCAGG-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP CCn1ccc(C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)c1 ZINC000683029465 545494801 /nfs/dbraw/zinc/49/48/01/545494801.db2.gz MWTRHJDEDCNKKS-UHFFFAOYSA-N 2 2 278.400 0.714 20 0 CCADLP CCn1ccc(C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)c1 ZINC000683029465 545494802 /nfs/dbraw/zinc/49/48/02/545494802.db2.gz MWTRHJDEDCNKKS-UHFFFAOYSA-N 2 2 278.400 0.714 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CC(C2CCOCC2)C1)C1CC1 ZINC000685910806 545866961 /nfs/dbraw/zinc/86/69/61/545866961.db2.gz VKOKXNRPVGMYAT-OAHLLOKOSA-N 2 2 268.401 0.800 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CC(C2CCOCC2)C1)C1CC1 ZINC000685910806 545866966 /nfs/dbraw/zinc/86/69/66/545866966.db2.gz VKOKXNRPVGMYAT-OAHLLOKOSA-N 2 2 268.401 0.800 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](N3C(=O)NC(C)(C)C3=O)C2)CC1 ZINC000777652218 581128662 /nfs/dbraw/zinc/12/86/62/581128662.db2.gz JPYCKPDBSWTDMY-GFCCVEGCSA-N 2 2 294.399 0.485 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](N3C(=O)NC(C)(C)C3=O)C2)CC1 ZINC000777652218 581128663 /nfs/dbraw/zinc/12/86/63/581128663.db2.gz JPYCKPDBSWTDMY-GFCCVEGCSA-N 2 2 294.399 0.485 20 0 CCADLP C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)[C@H](C(N)=O)C1 ZINC000778291331 581149012 /nfs/dbraw/zinc/14/90/12/581149012.db2.gz DPZICIRASLCIDX-AGIUHOORSA-N 2 2 269.389 0.029 20 0 CCADLP C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)[C@H](C(N)=O)C1 ZINC000778291331 581149016 /nfs/dbraw/zinc/14/90/16/581149016.db2.gz DPZICIRASLCIDX-AGIUHOORSA-N 2 2 269.389 0.029 20 0 CCADLP c1cn(-c2ccc(CNC3=[NH+]CCCN3)cn2)c[nH+]1 ZINC000750541821 581337390 /nfs/dbraw/zinc/33/73/90/581337390.db2.gz ABHQBBBQMBKKQV-UHFFFAOYSA-N 2 2 256.313 0.706 20 0 CCADLP C[NH+](C)CCNC(=S)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000751020789 581357310 /nfs/dbraw/zinc/35/73/10/581357310.db2.gz DPTUNMVTYSHISX-UHFFFAOYSA-N 2 2 288.461 0.123 20 0 CCADLP C[NH+](C)CCNC(=S)NCC[N@H+]1CCOC(C)(C)C1 ZINC000751020789 581357311 /nfs/dbraw/zinc/35/73/11/581357311.db2.gz DPTUNMVTYSHISX-UHFFFAOYSA-N 2 2 288.461 0.123 20 0 CCADLP COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000786441367 581441040 /nfs/dbraw/zinc/44/10/40/581441040.db2.gz OUGAHGKPTGWSEE-BARDWOONSA-N 2 2 296.411 0.717 20 0 CCADLP COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000786441367 581441042 /nfs/dbraw/zinc/44/10/42/581441042.db2.gz OUGAHGKPTGWSEE-BARDWOONSA-N 2 2 296.411 0.717 20 0 CCADLP CC1(C)C[N@H+](C[C@H](O)C[NH+]2CCCC2)C[C@@]2(CCOC2)O1 ZINC000796558774 581443684 /nfs/dbraw/zinc/44/36/84/581443684.db2.gz JSTDAQKPWQPBNK-GDBMZVCRSA-N 2 2 298.427 0.713 20 0 CCADLP CC1(C)C[N@@H+](C[C@H](O)C[NH+]2CCCC2)C[C@@]2(CCOC2)O1 ZINC000796558774 581443685 /nfs/dbraw/zinc/44/36/85/581443685.db2.gz JSTDAQKPWQPBNK-GDBMZVCRSA-N 2 2 298.427 0.713 20 0 CCADLP O=C(CC[NH+]1CCOCC1)Nc1ccc2[nH+]ccn2c1 ZINC000733969496 581537304 /nfs/dbraw/zinc/53/73/04/581537304.db2.gz ISYVJFIAIKRFQU-UHFFFAOYSA-N 2 2 274.324 0.995 20 0 CCADLP C[C@@H](C[NH+]1CCN(c2cc[nH+]cc2)CC1)CS(C)(=O)=O ZINC000151321039 581562942 /nfs/dbraw/zinc/56/29/42/581562942.db2.gz PVSOXGWYDGYMON-ZDUSSCGKSA-N 2 2 297.424 0.884 20 0 CCADLP CC1(C)CN(c2cc(N3CCOCC3)[nH+]cn2)CC[NH2+]1 ZINC000230495778 581566290 /nfs/dbraw/zinc/56/62/90/581566290.db2.gz MLRURUJSDGNZHP-UHFFFAOYSA-N 2 2 277.372 0.501 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2ccoc2)C1 ZINC000729683857 581610183 /nfs/dbraw/zinc/61/01/83/581610183.db2.gz DCLICEKTULBNOC-CYBMUJFWSA-N 2 2 265.357 0.957 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2ccoc2)C1 ZINC000729683857 581610187 /nfs/dbraw/zinc/61/01/87/581610187.db2.gz DCLICEKTULBNOC-CYBMUJFWSA-N 2 2 265.357 0.957 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000729929493 581624177 /nfs/dbraw/zinc/62/41/77/581624177.db2.gz YCACDVWIEPZWAH-HUUCEWRRSA-N 2 2 278.400 0.977 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000729929493 581624180 /nfs/dbraw/zinc/62/41/80/581624180.db2.gz YCACDVWIEPZWAH-HUUCEWRRSA-N 2 2 278.400 0.977 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000729929493 581624183 /nfs/dbraw/zinc/62/41/83/581624183.db2.gz YCACDVWIEPZWAH-HUUCEWRRSA-N 3 2 278.400 0.977 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000729929493 581624186 /nfs/dbraw/zinc/62/41/86/581624186.db2.gz YCACDVWIEPZWAH-HUUCEWRRSA-N 3 2 278.400 0.977 20 0 CCADLP O=C1CCCN1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000739877001 581631913 /nfs/dbraw/zinc/63/19/13/581631913.db2.gz XRNKUKMUUWWTSH-CYBMUJFWSA-N 2 2 251.374 0.984 20 0 CCADLP O=C1CCCN1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000739877001 581631916 /nfs/dbraw/zinc/63/19/16/581631916.db2.gz XRNKUKMUUWWTSH-CYBMUJFWSA-N 2 2 251.374 0.984 20 0 CCADLP CC(C)(C)[N@@H+](CC(N)=O)C[C@H](O)C[NH+]1CCCC1 ZINC000769941336 581715870 /nfs/dbraw/zinc/71/58/70/581715870.db2.gz FAMOSRLOGJKBBL-LLVKDONJSA-N 2 2 257.378 0.029 20 0 CCADLP CC(C)(C)[N@H+](CC(N)=O)C[C@H](O)C[NH+]1CCCC1 ZINC000769941336 581715872 /nfs/dbraw/zinc/71/58/72/581715872.db2.gz FAMOSRLOGJKBBL-LLVKDONJSA-N 2 2 257.378 0.029 20 0 CCADLP CON(C)C(=O)C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000770003280 581722133 /nfs/dbraw/zinc/72/21/33/581722133.db2.gz NSRKLWZIYSOGTI-NSHDSACASA-N 2 2 266.345 0.619 20 0 CCADLP CON(C)C(=O)C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000770003280 581722134 /nfs/dbraw/zinc/72/21/34/581722134.db2.gz NSRKLWZIYSOGTI-NSHDSACASA-N 2 2 266.345 0.619 20 0 CCADLP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000771403846 581772602 /nfs/dbraw/zinc/77/26/02/581772602.db2.gz IUDDRUODVQDEGL-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000771403846 581772605 /nfs/dbraw/zinc/77/26/05/581772605.db2.gz IUDDRUODVQDEGL-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP C[C@@H]1CCC[N@H+](CC[NH2+]C2CCN(C=O)CC2)C1 ZINC000774125074 581960656 /nfs/dbraw/zinc/96/06/56/581960656.db2.gz ZCFDEZFWZYBXFY-CYBMUJFWSA-N 2 2 253.390 0.929 20 0 CCADLP C[C@@H]1CCC[N@@H+](CC[NH2+]C2CCN(C=O)CC2)C1 ZINC000774125074 581960658 /nfs/dbraw/zinc/96/06/58/581960658.db2.gz ZCFDEZFWZYBXFY-CYBMUJFWSA-N 2 2 253.390 0.929 20 0 CCADLP CC(C)OC[C@@H](CO)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000763877179 582018038 /nfs/dbraw/zinc/01/80/38/582018038.db2.gz FVNTUHAKMSOWMH-ZIAGYGMSSA-N 2 2 274.405 0.161 20 0 CCADLP CC(C)OC[C@@H](CO)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000763877179 582018039 /nfs/dbraw/zinc/01/80/39/582018039.db2.gz FVNTUHAKMSOWMH-ZIAGYGMSSA-N 2 2 274.405 0.161 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000750599681 582052466 /nfs/dbraw/zinc/05/24/66/582052466.db2.gz LGYKTLGUXYQQEX-CYBMUJFWSA-N 2 2 294.399 0.809 20 0 CCADLP Cc1cc(NCC2([NH+]3CCOCC3)CC2)nc(N)[nH+]1 ZINC000764936264 582077137 /nfs/dbraw/zinc/07/71/37/582077137.db2.gz KEBQCMHVOKLHTF-UHFFFAOYSA-N 2 2 263.345 0.644 20 0 CCADLP CC[C@H](C(=O)N[C@H]1CCC[N@H+](CCF)C1)[NH+](C)C ZINC000898494962 615609007 /nfs/dbraw/zinc/60/90/07/615609007.db2.gz JCRMYJUMVJGMHH-NWDGAFQWSA-N 2 2 259.369 0.877 20 0 CCADLP CC[C@H](C(=O)N[C@H]1CCC[N@@H+](CCF)C1)[NH+](C)C ZINC000898494962 615609008 /nfs/dbraw/zinc/60/90/08/615609008.db2.gz JCRMYJUMVJGMHH-NWDGAFQWSA-N 2 2 259.369 0.877 20 0 CCADLP C[C@@H]([NH3+])CN(C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000861556146 617174009 /nfs/dbraw/zinc/17/40/09/617174009.db2.gz DITOPARXWDEIJC-LLVKDONJSA-N 2 2 279.388 0.751 20 0 CCADLP C[C@@H]([NH3+])[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccccc1 ZINC000925691777 617178327 /nfs/dbraw/zinc/17/83/27/617178327.db2.gz MLQXLQIADXBXIY-ZBFHGGJFSA-N 3 2 276.428 0.960 20 0 CCADLP COc1cc([C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)on1 ZINC000924995173 617216947 /nfs/dbraw/zinc/21/69/47/617216947.db2.gz XTRNGQQYVAMEFN-NWDGAFQWSA-N 2 2 282.388 0.970 20 0 CCADLP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000884206007 614117539 /nfs/dbraw/zinc/11/75/39/614117539.db2.gz KMIZXGOSUFHYST-CHWSQXEVSA-N 2 2 285.432 0.833 20 0 CCADLP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000884206007 614117541 /nfs/dbraw/zinc/11/75/41/614117541.db2.gz KMIZXGOSUFHYST-CHWSQXEVSA-N 2 2 285.432 0.833 20 0 CCADLP CC(C)C[C@@H]1COCC[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878106263 614202645 /nfs/dbraw/zinc/20/26/45/614202645.db2.gz GEFPDIBGPHHBIM-OAHLLOKOSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)C[C@@H]1COCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878106263 614202647 /nfs/dbraw/zinc/20/26/47/614202647.db2.gz GEFPDIBGPHHBIM-OAHLLOKOSA-N 2 2 297.443 0.944 20 0 CCADLP CSCC[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C(=O)N(C)C ZINC000925668909 617246535 /nfs/dbraw/zinc/24/65/35/617246535.db2.gz LRUFYKYOASTRIW-VZKILSJISA-N 2 2 297.468 0.782 20 0 CCADLP CSC[C@H](O)C[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931286486 617255693 /nfs/dbraw/zinc/25/56/93/617255693.db2.gz GGAASSHAQJGBGV-CQSZACIVSA-N 2 2 288.457 0.897 20 0 CCADLP CSC[C@H](O)C[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931286486 617255694 /nfs/dbraw/zinc/25/56/94/617255694.db2.gz GGAASSHAQJGBGV-CQSZACIVSA-N 2 2 288.457 0.897 20 0 CCADLP COc1ccc(OC)c([C@@H](O)C[NH2+]C[C@H](O)C[NH+](C)C)c1 ZINC000843064281 617275582 /nfs/dbraw/zinc/27/55/82/617275582.db2.gz YEFMUVSBZDELHC-FZMZJTMJSA-N 2 2 298.383 0.249 20 0 CCADLP C/C=C/[C@@H](O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000900445700 613186557 /nfs/dbraw/zinc/18/65/57/613186557.db2.gz JHGUEQQUTDWFQL-NHZBNJEXSA-N 2 2 295.427 0.598 20 0 CCADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000876961137 613191706 /nfs/dbraw/zinc/19/17/06/613191706.db2.gz QZMAWFRGQQOVEM-NESUOYDGSA-N 2 2 295.427 0.624 20 0 CCADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000876961137 613191708 /nfs/dbraw/zinc/19/17/08/613191708.db2.gz QZMAWFRGQQOVEM-NESUOYDGSA-N 2 2 295.427 0.624 20 0 CCADLP C/C=C/[C@H](O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000900445698 613198216 /nfs/dbraw/zinc/19/82/16/613198216.db2.gz JHGUEQQUTDWFQL-BWPKMQGJSA-N 2 2 295.427 0.598 20 0 CCADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000876730145 613210790 /nfs/dbraw/zinc/21/07/90/613210790.db2.gz DLPFXQMSCFQIMU-DXELUQJMSA-N 2 2 262.357 0.800 20 0 CCADLP C1=C[C@@H](C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)[C@H]2CO[C@@H]1C2 ZINC000925829303 613220808 /nfs/dbraw/zinc/22/08/08/613220808.db2.gz BZTPKKHFFCHOLD-QRJUGERDSA-N 2 2 278.396 0.934 20 0 CCADLP C(C[NH+]1CCC([N@@H+]2CCCOCC2)CC1)O[C@H]1CCOC1 ZINC000931284488 613228890 /nfs/dbraw/zinc/22/88/90/613228890.db2.gz USSSGCWARQJJBE-INIZCTEOSA-N 2 2 298.427 0.979 20 0 CCADLP C(C[NH+]1CCC([N@H+]2CCCOCC2)CC1)O[C@H]1CCOC1 ZINC000931284488 613228892 /nfs/dbraw/zinc/22/88/92/613228892.db2.gz USSSGCWARQJJBE-INIZCTEOSA-N 2 2 298.427 0.979 20 0 CCADLP C(C[C@H]1CCCO1)[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000925773772 613229425 /nfs/dbraw/zinc/22/94/25/613229425.db2.gz GMWOFXWUQYGPNN-RDBSUJKOSA-N 2 2 254.374 0.912 20 0 CCADLP C(C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1)OC1CC1 ZINC000903453822 613234800 /nfs/dbraw/zinc/23/48/00/613234800.db2.gz MWMFCIGDYOUVDI-UHFFFAOYSA-N 2 2 291.399 0.740 20 0 CCADLP C/C(=C\C(=O)N[C@H](C)CC[NH+](C)C)C[NH+]1CCOCC1 ZINC000900695372 613259319 /nfs/dbraw/zinc/25/93/19/613259319.db2.gz QSXCIVRPIPYOMF-YPDDLIOESA-N 2 2 283.416 0.721 20 0 CCADLP CC(C)(C)[NH2+]CCC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000931845978 613953885 /nfs/dbraw/zinc/95/38/85/613953885.db2.gz GQWJVFSLZYKJEH-UHFFFAOYSA-N 2 2 285.432 0.992 20 0 CCADLP CC(C)(C)[NH2+]CCC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000931845978 613953888 /nfs/dbraw/zinc/95/38/88/613953888.db2.gz GQWJVFSLZYKJEH-UHFFFAOYSA-N 2 2 285.432 0.992 20 0 CCADLP CC(C)[NH2+][C@H](C)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC000979398982 613977862 /nfs/dbraw/zinc/97/78/62/613977862.db2.gz DPPBOLKJFFIOSA-YPMHNXCESA-N 2 2 280.372 0.566 20 0 CCADLP CC(=O)N[C@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000917009794 614129939 /nfs/dbraw/zinc/12/99/39/614129939.db2.gz LIQBUPXRORPFII-UONOGXRCSA-N 2 2 269.389 0.044 20 0 CCADLP CC(=O)N[C@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000917009794 614129940 /nfs/dbraw/zinc/12/99/40/614129940.db2.gz LIQBUPXRORPFII-UONOGXRCSA-N 2 2 269.389 0.044 20 0 CCADLP CC(C)C[C@@H](C[NH3+])NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876533401 614188751 /nfs/dbraw/zinc/18/87/51/614188751.db2.gz ROAVOYOBXRWLPV-SCOBNMCVSA-N 2 2 269.389 0.364 20 0 CCADLP CC(C)[C@H]([NH3+])CCNC(=O)NCc1c[nH+]cn1C ZINC000851660521 614226639 /nfs/dbraw/zinc/22/66/39/614226639.db2.gz RNYFHYPVNLPNRO-LLVKDONJSA-N 2 2 253.350 0.593 20 0 CCADLP CC(C)[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cnn(C)c1 ZINC000886516582 614249025 /nfs/dbraw/zinc/24/90/25/614249025.db2.gz OSJIUJCSWBYHRH-HNNXBMFYSA-N 2 2 293.415 0.481 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000932475259 614342913 /nfs/dbraw/zinc/34/29/13/614342913.db2.gz MCWBBWZXTUJVSP-LLVKDONJSA-N 2 2 250.346 0.941 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000932475259 614342917 /nfs/dbraw/zinc/34/29/17/614342917.db2.gz MCWBBWZXTUJVSP-LLVKDONJSA-N 2 2 250.346 0.941 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CC(=O)N(C)C[C@@H]2C)CC1 ZINC000800379021 614361684 /nfs/dbraw/zinc/36/16/84/614361684.db2.gz KNLYLAYCEWDIPO-HNNXBMFYSA-N 2 2 296.459 0.565 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@H+]2CC(=O)N(C)C[C@@H]2C)CC1 ZINC000800379021 614361685 /nfs/dbraw/zinc/36/16/85/614361685.db2.gz KNLYLAYCEWDIPO-HNNXBMFYSA-N 2 2 296.459 0.565 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)CC1 ZINC000931278905 614361716 /nfs/dbraw/zinc/36/17/16/614361716.db2.gz QXQXRMOLZBJHTJ-FVQHAEBGSA-N 3 2 294.487 0.894 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)CC1 ZINC000931278905 614361719 /nfs/dbraw/zinc/36/17/19/614361719.db2.gz QXQXRMOLZBJHTJ-FVQHAEBGSA-N 3 2 294.487 0.894 20 0 CCADLP CC(C)N1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1=O ZINC000931279615 614372655 /nfs/dbraw/zinc/37/26/55/614372655.db2.gz MANUAKMJYWRMLD-XQHKEYJVSA-N 2 2 251.374 0.488 20 0 CCADLP CC(C)N1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1=O ZINC000931279615 614372656 /nfs/dbraw/zinc/37/26/56/614372656.db2.gz MANUAKMJYWRMLD-XQHKEYJVSA-N 2 2 251.374 0.488 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000865034189 614381870 /nfs/dbraw/zinc/38/18/70/614381870.db2.gz SPZWMLZYJTWNAW-NHZBNJEXSA-N 2 2 295.427 0.721 20 0 CCADLP CC(C)[N@H+]1CC[C@H](CNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000865034189 614381871 /nfs/dbraw/zinc/38/18/71/614381871.db2.gz SPZWMLZYJTWNAW-NHZBNJEXSA-N 2 2 295.427 0.721 20 0 CCADLP CCC[C@H](O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000931216641 614407502 /nfs/dbraw/zinc/40/75/02/614407502.db2.gz IOSGHEPRWDXIDH-HNNXBMFYSA-N 2 2 297.443 0.822 20 0 CCADLP CCCn1cc(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)nn1 ZINC000865456397 614532431 /nfs/dbraw/zinc/53/24/31/614532431.db2.gz JTJAVAIFTVQFQN-CYBMUJFWSA-N 2 2 280.420 0.414 20 0 CCADLP CC1(C)CC[N@H+](CC[NH2+]C2CCN(C(N)=O)CC2)C1 ZINC000898035565 614545768 /nfs/dbraw/zinc/54/57/68/614545768.db2.gz VGJGQGZTXRJDLB-UHFFFAOYSA-N 2 2 268.405 0.851 20 0 CCADLP CC1(C)CC[N@@H+](CC[NH2+]C2CCN(C(N)=O)CC2)C1 ZINC000898035565 614545770 /nfs/dbraw/zinc/54/57/70/614545770.db2.gz VGJGQGZTXRJDLB-UHFFFAOYSA-N 2 2 268.405 0.851 20 0 CCADLP CCN(C(=O)C12CCC[NH+]1CCC2)C1C[NH+](C[C@H](C)O)C1 ZINC000950727836 614564623 /nfs/dbraw/zinc/56/46/23/614564623.db2.gz SRHUDPRJMKIPSC-ZDUSSCGKSA-N 2 2 295.427 0.528 20 0 CCADLP CCN(C(=O)N[C@H](C)C[NH+]1CCN(C)CC1)[C@H]1CC[NH2+]C1 ZINC000891527261 614604731 /nfs/dbraw/zinc/60/47/31/614604731.db2.gz HMNVPDMOIVTQCL-KGLIPLIRSA-N 2 2 297.447 0.016 20 0 CCADLP CCN(C(=O)N[C@H](C)Cn1cc[nH+]c1)[C@H]1CC[NH2+]C1 ZINC000887279119 614605140 /nfs/dbraw/zinc/60/51/40/614605140.db2.gz ZEJBARJBAQXMBT-NEPJUHHUSA-N 2 2 265.361 0.665 20 0 CCADLP CCC[N@@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000982035508 614637100 /nfs/dbraw/zinc/63/71/00/614637100.db2.gz JSAWDFZSCTULDX-UHFFFAOYSA-N 2 2 250.346 0.897 20 0 CCADLP CCC[N@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000982035508 614637102 /nfs/dbraw/zinc/63/71/02/614637102.db2.gz JSAWDFZSCTULDX-UHFFFAOYSA-N 2 2 250.346 0.897 20 0 CCADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)C1C[NH+](CC2CCC2)C1 ZINC000949830515 614684359 /nfs/dbraw/zinc/68/43/59/614684359.db2.gz PIBXKBNVNJLWEX-OAHLLOKOSA-N 2 2 295.427 0.650 20 0 CCADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1C[NH+](CC2CCC2)C1 ZINC000949830515 614684360 /nfs/dbraw/zinc/68/43/60/614684360.db2.gz PIBXKBNVNJLWEX-OAHLLOKOSA-N 2 2 295.427 0.650 20 0 CCADLP CCC[NH+]1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000957469929 614685783 /nfs/dbraw/zinc/68/57/83/614685783.db2.gz HIJQWMKJNHNVER-UHFFFAOYSA-N 2 2 250.346 0.815 20 0 CCADLP CCC1([NH+]2CCC2)CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000886711014 614705459 /nfs/dbraw/zinc/70/54/59/614705459.db2.gz LKBSMEDODBPSKI-UHFFFAOYSA-N 2 2 289.445 0.615 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870881561 614718463 /nfs/dbraw/zinc/71/84/63/614718463.db2.gz ZQPHWHIKNYCOKH-BETUJISGSA-N 2 2 283.416 0.731 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870881561 614718465 /nfs/dbraw/zinc/71/84/65/614718465.db2.gz ZQPHWHIKNYCOKH-BETUJISGSA-N 2 2 283.416 0.731 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876754940 614718885 /nfs/dbraw/zinc/71/88/85/614718885.db2.gz VCZZEXLFTKIGHA-CJNGLKHVSA-N 2 2 295.427 0.746 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876754940 614718887 /nfs/dbraw/zinc/71/88/87/614718887.db2.gz VCZZEXLFTKIGHA-CJNGLKHVSA-N 2 2 295.427 0.746 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000876733449 614844111 /nfs/dbraw/zinc/84/41/11/614844111.db2.gz YGGBVCXLLCAKKJ-BFHYXJOUSA-N 2 2 295.427 0.683 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(N2CCCOC2=O)CC1 ZINC000933616900 614850244 /nfs/dbraw/zinc/85/02/44/614850244.db2.gz SCCXVVHBOBSDHW-CQSZACIVSA-N 2 2 299.415 0.606 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(N2CCCOC2=O)CC1 ZINC000933616900 614850245 /nfs/dbraw/zinc/85/02/45/614850245.db2.gz SCCXVVHBOBSDHW-CQSZACIVSA-N 2 2 299.415 0.606 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](Cc2nc(C)no2)C1 ZINC000933563286 614867507 /nfs/dbraw/zinc/86/75/07/614867507.db2.gz ANXNQUXBDONSPE-KGLIPLIRSA-N 2 2 296.415 0.945 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](Cc2nc(C)no2)C1 ZINC000933563286 614867509 /nfs/dbraw/zinc/86/75/09/614867509.db2.gz ANXNQUXBDONSPE-KGLIPLIRSA-N 2 2 296.415 0.945 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](Cc2nc(C)no2)C1 ZINC000933563286 614867511 /nfs/dbraw/zinc/86/75/11/614867511.db2.gz ANXNQUXBDONSPE-KGLIPLIRSA-N 2 2 296.415 0.945 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](Cc2nc(C)no2)C1 ZINC000933563286 614867514 /nfs/dbraw/zinc/86/75/14/614867514.db2.gz ANXNQUXBDONSPE-KGLIPLIRSA-N 2 2 296.415 0.945 20 0 CCADLP CC[N@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000980294542 614889198 /nfs/dbraw/zinc/88/91/98/614889198.db2.gz DNJAUFUOALDTIV-CYBMUJFWSA-N 2 2 264.373 0.905 20 0 CCADLP CC[N@@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000980294542 614889201 /nfs/dbraw/zinc/88/92/01/614889201.db2.gz DNJAUFUOALDTIV-CYBMUJFWSA-N 2 2 264.373 0.905 20 0 CCADLP CC[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000972727076 614891571 /nfs/dbraw/zinc/89/15/71/614891571.db2.gz AHEFFVSBBBCCJV-LLVKDONJSA-N 2 2 250.346 0.515 20 0 CCADLP CC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000972727076 614891572 /nfs/dbraw/zinc/89/15/72/614891572.db2.gz AHEFFVSBBBCCJV-LLVKDONJSA-N 2 2 250.346 0.515 20 0 CCADLP CC[N@H+](CC(=O)NCC[NH+]1CCC2(C1)OCCO2)C1CC1 ZINC000899059070 614939754 /nfs/dbraw/zinc/93/97/54/614939754.db2.gz BGWAZCXRQRQYMD-UHFFFAOYSA-N 2 2 297.399 0.036 20 0 CCADLP CC[N@@H+](CC(=O)NCC[NH+]1CCC2(C1)OCCO2)C1CC1 ZINC000899059070 614939755 /nfs/dbraw/zinc/93/97/55/614939755.db2.gz BGWAZCXRQRQYMD-UHFFFAOYSA-N 2 2 297.399 0.036 20 0 CCADLP CC[NH+](CC(=O)NCC[N@@H+]1CCC2(C1)OCCO2)C1CC1 ZINC000899059070 614939757 /nfs/dbraw/zinc/93/97/57/614939757.db2.gz BGWAZCXRQRQYMD-UHFFFAOYSA-N 2 2 297.399 0.036 20 0 CCADLP CC[NH+](CC(=O)NCC[N@H+]1CCC2(C1)OCCO2)C1CC1 ZINC000899059070 614939760 /nfs/dbraw/zinc/93/97/60/614939760.db2.gz BGWAZCXRQRQYMD-UHFFFAOYSA-N 2 2 297.399 0.036 20 0 CCADLP CCCC[NH+]1CC(N(CC)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000949830330 614964785 /nfs/dbraw/zinc/96/47/85/614964785.db2.gz JYAGGZFUWIERKS-CQSZACIVSA-N 2 2 283.416 0.650 20 0 CCADLP CCCC[NH+]1CC(N(CC)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000949830330 614964787 /nfs/dbraw/zinc/96/47/87/614964787.db2.gz JYAGGZFUWIERKS-CQSZACIVSA-N 2 2 283.416 0.650 20 0 CCADLP CCCSC[C@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000892712730 614970824 /nfs/dbraw/zinc/97/08/24/614970824.db2.gz DFKTVUGJNFTZDB-LBPRGKRZSA-N 2 2 273.446 0.882 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898490807 614990437 /nfs/dbraw/zinc/99/04/37/614990437.db2.gz UWVHDFUDRUEBSJ-GFCCVEGCSA-N 2 2 259.369 0.878 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898490807 614990438 /nfs/dbraw/zinc/99/04/38/614990438.db2.gz UWVHDFUDRUEBSJ-GFCCVEGCSA-N 2 2 259.369 0.878 20 0 CCADLP CC[NH2+]CCCNC(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000911687487 615085896 /nfs/dbraw/zinc/08/58/96/615085896.db2.gz GYGUTSDZAWOHNZ-KGLIPLIRSA-N 2 2 285.432 0.992 20 0 CCADLP CC[NH2+]CCCNC(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000911687487 615085897 /nfs/dbraw/zinc/08/58/97/615085897.db2.gz GYGUTSDZAWOHNZ-KGLIPLIRSA-N 2 2 285.432 0.992 20 0 CCADLP CC[NH2+]C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC000960225751 615088929 /nfs/dbraw/zinc/08/89/29/615088929.db2.gz IFSPRVXQQAUFSS-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP CC[NH2+]C[C@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000980709644 615098995 /nfs/dbraw/zinc/09/89/95/615098995.db2.gz YWQQXUFAMVDSAF-GHMZBOCLSA-N 2 2 250.346 0.799 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000969124959 615120332 /nfs/dbraw/zinc/12/03/32/615120332.db2.gz QMIRHELRZAVQDG-NWDGAFQWSA-N 2 2 262.357 0.656 20 0 CCADLP CC[NH+]1CCN(CCC[NH2+][C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925547394 615157977 /nfs/dbraw/zinc/15/79/77/615157977.db2.gz UPLBWFNGUSBNEU-CQSZACIVSA-N 3 2 268.449 0.744 20 0 CCADLP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925493766 615160506 /nfs/dbraw/zinc/16/05/06/615160506.db2.gz ZCZAHWULEPNCGT-CABCVRRESA-N 3 2 282.476 0.990 20 0 CCADLP CCN1CC[NH+]([C@H](C)CNc2cc[nH+]cc2CO)CC1 ZINC000891829198 615162165 /nfs/dbraw/zinc/16/21/65/615162165.db2.gz HNEOMPFYNKYOJP-CYBMUJFWSA-N 2 2 278.400 0.434 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000944155757 615213503 /nfs/dbraw/zinc/21/35/03/615213503.db2.gz PZHXUMTWCFYQQM-WCQYABFASA-N 2 2 264.373 0.809 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000944155757 615213506 /nfs/dbraw/zinc/21/35/06/615213506.db2.gz PZHXUMTWCFYQQM-WCQYABFASA-N 2 2 264.373 0.809 20 0 CCADLP CCOCCCNC(=[NH2+])NCc1c[nH+]c(N(C)C)n1C ZINC000849007098 615242729 /nfs/dbraw/zinc/24/27/29/615242729.db2.gz AFOFZQAHZNJICB-UHFFFAOYSA-N 2 2 282.392 0.527 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000890060071 615248848 /nfs/dbraw/zinc/24/88/48/615248848.db2.gz NHNCYKQWRAJRLK-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000890060071 615248851 /nfs/dbraw/zinc/24/88/51/615248851.db2.gz NHNCYKQWRAJRLK-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CCOCCOC[C@H](O)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925649505 615285653 /nfs/dbraw/zinc/28/56/53/615285653.db2.gz GJHLEYODCZCOAP-NEPJUHHUSA-N 2 2 260.378 0.131 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000863546624 615326866 /nfs/dbraw/zinc/32/68/66/615326866.db2.gz LUSYEZFGZJHFFR-NOOOWODRSA-N 2 2 255.362 0.010 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923326165 615328558 /nfs/dbraw/zinc/32/85/58/615328558.db2.gz IIOSGSXFWFFDRR-QLFBSQMISA-N 3 2 279.428 0.924 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923326165 615328561 /nfs/dbraw/zinc/32/85/61/615328561.db2.gz IIOSGSXFWFFDRR-QLFBSQMISA-N 3 2 279.428 0.924 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923326165 615328564 /nfs/dbraw/zinc/32/85/64/615328564.db2.gz IIOSGSXFWFFDRR-QLFBSQMISA-N 3 2 279.428 0.924 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923326165 615328565 /nfs/dbraw/zinc/32/85/65/615328565.db2.gz IIOSGSXFWFFDRR-QLFBSQMISA-N 3 2 279.428 0.924 20 0 CCADLP CCON(C)C(=O)C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000846062858 615336813 /nfs/dbraw/zinc/33/68/13/615336813.db2.gz AUGAFSMLRTXJDL-UHFFFAOYSA-N 2 2 257.378 0.859 20 0 CCADLP CC[C@@H](C(=O)N1CC[NH2+]C[C@H]1C)[N@@H+]1CCO[C@H](CC)C1 ZINC000911725538 615372539 /nfs/dbraw/zinc/37/25/39/615372539.db2.gz WGZHELBPDCFNMI-MCIONIFRSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@@H](C(=O)N1CC[NH2+]C[C@H]1C)[N@H+]1CCO[C@H](CC)C1 ZINC000911725538 615372543 /nfs/dbraw/zinc/37/25/43/615372543.db2.gz WGZHELBPDCFNMI-MCIONIFRSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1)[NH+](C)C ZINC000969992505 615374645 /nfs/dbraw/zinc/37/46/45/615374645.db2.gz ZJFDPALYVLZLNL-PWSUYJOCSA-N 2 2 297.428 0.569 20 0 CCADLP CCOC(=O)[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000932637440 615378754 /nfs/dbraw/zinc/37/87/54/615378754.db2.gz ARNSOWLFNWAWLU-RYUDHWBXSA-N 2 2 258.362 0.184 20 0 CCADLP CCOC(=O)[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000932637440 615378757 /nfs/dbraw/zinc/37/87/57/615378757.db2.gz ARNSOWLFNWAWLU-RYUDHWBXSA-N 2 2 258.362 0.184 20 0 CCADLP CCOC(=O)[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)CC)C1 ZINC000932637440 615378760 /nfs/dbraw/zinc/37/87/60/615378760.db2.gz ARNSOWLFNWAWLU-RYUDHWBXSA-N 2 2 258.362 0.184 20 0 CCADLP CCOC(=O)[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000932637440 615378764 /nfs/dbraw/zinc/37/87/64/615378764.db2.gz ARNSOWLFNWAWLU-RYUDHWBXSA-N 2 2 258.362 0.184 20 0 CCADLP CCOC(=O)[C@](C)(O)C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931353031 615392257 /nfs/dbraw/zinc/39/22/57/615392257.db2.gz ANQVNZYASQMKLA-CQSZACIVSA-N 2 2 272.389 0.717 20 0 CCADLP CCO[C@@H](CNc1cc(NC[C@@H](C)O)[nH+]cn1)C[NH+](C)C ZINC000896118919 615411080 /nfs/dbraw/zinc/41/10/80/615411080.db2.gz XZGUZBPKOUTNHC-NEPJUHHUSA-N 2 2 297.403 0.648 20 0 CCADLP CCO[C@@H](CNc1cc(NC[C@@H](C)O)nc[nH+]1)C[NH+](C)C ZINC000896118919 615411082 /nfs/dbraw/zinc/41/10/82/615411082.db2.gz XZGUZBPKOUTNHC-NEPJUHHUSA-N 2 2 297.403 0.648 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)Nc1cc[nH+]cc1C(N)=O ZINC000895802699 615476975 /nfs/dbraw/zinc/47/69/75/615476975.db2.gz WHZJGBIZVMLKDH-NSHDSACASA-N 2 2 278.356 0.125 20 0 CCADLP CCS(=O)(=O)CC[N@H+](C)CCCc1c[nH+]cn1C ZINC000846834357 615532250 /nfs/dbraw/zinc/53/22/50/615532250.db2.gz ARVYJGCMYLHJLI-UHFFFAOYSA-N 2 2 273.402 0.719 20 0 CCADLP CCS(=O)(=O)CC[N@@H+](C)CCCc1c[nH+]cn1C ZINC000846834357 615532252 /nfs/dbraw/zinc/53/22/52/615532252.db2.gz ARVYJGCMYLHJLI-UHFFFAOYSA-N 2 2 273.402 0.719 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCC1([NH+](C)C)CC1 ZINC000922984660 615567346 /nfs/dbraw/zinc/56/73/46/615567346.db2.gz UUQNRGGNXSKUOR-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NCC1([NH+](C)C)CC1 ZINC000922984660 615567347 /nfs/dbraw/zinc/56/73/47/615567347.db2.gz UUQNRGGNXSKUOR-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000877434526 615568292 /nfs/dbraw/zinc/56/82/92/615568292.db2.gz RUDSIGSZOIQOFW-HZSPNIEDSA-N 2 2 283.416 0.731 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000877434526 615568293 /nfs/dbraw/zinc/56/82/93/615568293.db2.gz RUDSIGSZOIQOFW-HZSPNIEDSA-N 2 2 283.416 0.731 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000877433735 615568732 /nfs/dbraw/zinc/56/87/32/615568732.db2.gz IBDIKJBGNZNVIO-GRYCIOLGSA-N 2 2 257.378 0.197 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000877433735 615568733 /nfs/dbraw/zinc/56/87/33/615568733.db2.gz IBDIKJBGNZNVIO-GRYCIOLGSA-N 2 2 257.378 0.197 20 0 CCADLP CC[C@H](C(=O)N[C@H](CO)c1c[nH+]cn1C)[NH+](CC)CC ZINC000912615734 615608758 /nfs/dbraw/zinc/60/87/58/615608758.db2.gz VBIMEEXDTBSASC-VXGBXAGGSA-N 2 2 282.388 0.690 20 0 CCADLP CC[C@H](C[NH+]1CCN(C(=O)CCn2cc[nH+]c2)CC1)OC ZINC000949554302 615713793 /nfs/dbraw/zinc/71/37/93/615713793.db2.gz DOYBNSKBPOOUHA-CQSZACIVSA-N 2 2 294.399 0.842 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N(C)CC1C[NH+](C)C1 ZINC000925604884 615715573 /nfs/dbraw/zinc/71/55/73/615715573.db2.gz BAGCXRCUUFOROI-CQSZACIVSA-N 2 2 298.431 0.300 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CC[N@H+](CC)C1 ZINC000922908358 615718094 /nfs/dbraw/zinc/71/80/94/615718094.db2.gz NAXTXZNPHKYCQI-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CC[N@@H+](CC)C1 ZINC000922908358 615718095 /nfs/dbraw/zinc/71/80/95/615718095.db2.gz NAXTXZNPHKYCQI-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+](C)C1(CNC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000915854847 615848913 /nfs/dbraw/zinc/84/89/13/615848913.db2.gz VTYQWYAKAURXEB-UHFFFAOYSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+](C)C1(CNC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000915854847 615848914 /nfs/dbraw/zinc/84/89/14/615848914.db2.gz VTYQWYAKAURXEB-UHFFFAOYSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+](C)C1(CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000922076432 615849772 /nfs/dbraw/zinc/84/97/72/615849772.db2.gz GUIZVZADCHFLBQ-LLVKDONJSA-N 2 2 277.372 0.591 20 0 CCADLP C[NH+](C)C1CC(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC000897669067 615854502 /nfs/dbraw/zinc/85/45/02/615854502.db2.gz NRDXJVZSTOCVCY-MGULZYLOSA-N 2 2 291.399 0.999 20 0 CCADLP C[NH+](C)C1CC(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC000897669067 615854504 /nfs/dbraw/zinc/85/45/04/615854504.db2.gz NRDXJVZSTOCVCY-MGULZYLOSA-N 2 2 291.399 0.999 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)COC(F)(F)F ZINC000824958112 615878459 /nfs/dbraw/zinc/87/84/59/615878459.db2.gz RQINJURJLWOAIF-UHFFFAOYSA-N 2 2 285.310 0.523 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)COC(F)(F)F ZINC000824958112 615878462 /nfs/dbraw/zinc/87/84/62/615878462.db2.gz RQINJURJLWOAIF-UHFFFAOYSA-N 2 2 285.310 0.523 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(F)CCOCC1 ZINC000869241981 615878773 /nfs/dbraw/zinc/87/87/73/615878773.db2.gz GDSXSZZZXWJAJA-UHFFFAOYSA-N 2 2 289.395 0.505 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(F)CCOCC1 ZINC000869241981 615878776 /nfs/dbraw/zinc/87/87/76/615878776.db2.gz GDSXSZZZXWJAJA-UHFFFAOYSA-N 2 2 289.395 0.505 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@]1(C)CCCCO1 ZINC000855417462 615879431 /nfs/dbraw/zinc/87/94/31/615879431.db2.gz HDFWFIAYKLQQTD-OAHLLOKOSA-N 2 2 285.432 0.945 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@]1(C)CCCCO1 ZINC000855417462 615879434 /nfs/dbraw/zinc/87/94/34/615879434.db2.gz HDFWFIAYKLQQTD-OAHLLOKOSA-N 2 2 285.432 0.945 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCn1cc(C(C)(C)O)nn1 ZINC000864648947 615879881 /nfs/dbraw/zinc/87/98/81/615879881.db2.gz WIUKOGTZKGYKLE-UHFFFAOYSA-N 2 2 269.393 0.389 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCn1cc(C(C)(C)O)nn1 ZINC000864648947 615879882 /nfs/dbraw/zinc/87/98/82/615879882.db2.gz WIUKOGTZKGYKLE-UHFFFAOYSA-N 2 2 269.393 0.389 20 0 CCADLP CC[C@H](C(=O)NCCC[NH3+])[N@@H+]1CCO[C@@H](CC)C1 ZINC000911648920 615917843 /nfs/dbraw/zinc/91/78/43/615917843.db2.gz XOZWFQFEVQEDAD-NWDGAFQWSA-N 2 2 257.378 0.341 20 0 CCADLP CC[C@H](C(=O)NCCC[NH3+])[N@H+]1CCO[C@@H](CC)C1 ZINC000911648920 615917844 /nfs/dbraw/zinc/91/78/44/615917844.db2.gz XOZWFQFEVQEDAD-NWDGAFQWSA-N 2 2 257.378 0.341 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)c1ccnn1CC[NH+](C)C ZINC000908262035 615921915 /nfs/dbraw/zinc/92/19/15/615921915.db2.gz VJNHGXKPJRFGDS-UHFFFAOYSA-N 2 2 276.344 0.108 20 0 CCADLP C[NH+](C)CCn1nccc1NC(=O)CNc1cccc[nH+]1 ZINC000908441954 615923288 /nfs/dbraw/zinc/92/32/88/615923288.db2.gz GWEKSUCNRPYFGD-UHFFFAOYSA-N 2 2 288.355 0.890 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CN(C3CC3)C(=O)O2)C1 ZINC000844295430 615927845 /nfs/dbraw/zinc/92/78/45/615927845.db2.gz BEJLHMCXDCWCIO-WCQYABFASA-N 2 2 267.373 0.853 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CN(C3CC3)C(=O)O2)C1 ZINC000844295430 615927848 /nfs/dbraw/zinc/92/78/48/615927848.db2.gz BEJLHMCXDCWCIO-WCQYABFASA-N 2 2 267.373 0.853 20 0 CCADLP Cn1c[nH+]cc1CN1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877669306 615930909 /nfs/dbraw/zinc/93/09/09/615930909.db2.gz COLJAPNDCFRSKM-ZIAGYGMSSA-N 3 2 279.432 0.591 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@@](C)(O)C(F)F)C1 ZINC000886273871 615937497 /nfs/dbraw/zinc/93/74/97/615937497.db2.gz IENUYQHYEBYKSD-NEPJUHHUSA-N 2 2 266.332 0.391 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@@](C)(O)C(F)F)C1 ZINC000886273871 615937499 /nfs/dbraw/zinc/93/74/99/615937499.db2.gz IENUYQHYEBYKSD-NEPJUHHUSA-N 2 2 266.332 0.391 20 0 CCADLP Cn1cc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)c(C2CC2)n1 ZINC000893179304 615951444 /nfs/dbraw/zinc/95/14/44/615951444.db2.gz OOXLVPLCIDUVJS-CQSZACIVSA-N 2 2 266.389 0.700 20 0 CCADLP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1C ZINC000924986074 615957595 /nfs/dbraw/zinc/95/75/95/615957595.db2.gz HERJKJQOQIDFCE-NEPJUHHUSA-N 2 2 297.424 0.605 20 0 CCADLP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1C[C@H](O)C[N@H+]1C ZINC000924986074 615957597 /nfs/dbraw/zinc/95/75/97/615957597.db2.gz HERJKJQOQIDFCE-NEPJUHHUSA-N 2 2 297.424 0.605 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000957325802 615976533 /nfs/dbraw/zinc/97/65/33/615976533.db2.gz XSMXSELCDOEITP-ZIAGYGMSSA-N 2 2 283.416 0.243 20 0 CCADLP CCn1cc(CCN2C[C@@H](c3c[nH+]cn3C)[C@H]([NH3+])C2)cn1 ZINC000864306274 615981150 /nfs/dbraw/zinc/98/11/50/615981150.db2.gz XAFSQAOZGLBZAB-ZIAGYGMSSA-N 2 2 288.399 0.606 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCC(=O)N3CCCC3)C[C@H]21 ZINC000931281079 615997074 /nfs/dbraw/zinc/99/70/74/615997074.db2.gz NJUWOLDEXLZOKC-IMRBUKKESA-N 2 2 251.374 0.491 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCC(=O)N3CCCC3)C[C@H]21 ZINC000931281079 615997075 /nfs/dbraw/zinc/99/70/75/615997075.db2.gz NJUWOLDEXLZOKC-IMRBUKKESA-N 2 2 251.374 0.491 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCCN3CCOC3=O)C[C@H]21 ZINC000931279919 615997216 /nfs/dbraw/zinc/99/72/16/615997216.db2.gz TZOSLRSNZOLOIA-GDNZZTSVSA-N 2 2 253.346 0.321 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCCN3CCOC3=O)C[C@H]21 ZINC000931279919 615997218 /nfs/dbraw/zinc/99/72/18/615997218.db2.gz TZOSLRSNZOLOIA-GDNZZTSVSA-N 2 2 253.346 0.321 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H](O)CC3(CO)CCCC3)C[C@H]21 ZINC000931276397 615997799 /nfs/dbraw/zinc/99/77/99/615997799.db2.gz HKWRIJZRWUZNCE-KBXIAJHMSA-N 2 2 282.428 0.782 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H](O)CC3(CO)CCCC3)C[C@H]21 ZINC000931276397 615997800 /nfs/dbraw/zinc/99/78/00/615997800.db2.gz HKWRIJZRWUZNCE-KBXIAJHMSA-N 2 2 282.428 0.782 20 0 CCADLP CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2C[NH2+]CCOC2)C1 ZINC000925500334 615997925 /nfs/dbraw/zinc/99/79/25/615997925.db2.gz YDBWNRJROBVXEO-UPJWGTAASA-N 2 2 269.389 0.211 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H](O)C[C@@](C)(O)C3CC3)C[C@H]21 ZINC000931278491 615997951 /nfs/dbraw/zinc/99/79/51/615997951.db2.gz YFWWACMYCOPPEO-VQJWOFKYSA-N 2 2 268.401 0.390 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)C[C@@](C)(O)C3CC3)C[C@H]21 ZINC000931278491 615997953 /nfs/dbraw/zinc/99/79/53/615997953.db2.gz YFWWACMYCOPPEO-VQJWOFKYSA-N 2 2 268.401 0.390 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H](O)CCC3(O)CCC3)C[C@H]21 ZINC000931277723 615998095 /nfs/dbraw/zinc/99/80/95/615998095.db2.gz RWUYHLNXJOZDBG-MQYQWHSLSA-N 2 2 268.401 0.534 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H](O)CCC3(O)CCC3)C[C@H]21 ZINC000931277723 615998099 /nfs/dbraw/zinc/99/80/99/615998099.db2.gz RWUYHLNXJOZDBG-MQYQWHSLSA-N 2 2 268.401 0.534 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=[NH2+])NC[C@@H]2CCCS2)n1C ZINC000905041191 616035736 /nfs/dbraw/zinc/03/57/36/616035736.db2.gz FPDVOORDQCYQKP-NSHDSACASA-N 2 2 296.444 0.996 20 0 CCADLP CN(CC[NH+]1CCCCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC000911919395 616086996 /nfs/dbraw/zinc/08/69/96/616086996.db2.gz BCCMYQZVHQRAAS-UHFFFAOYSA-N 2 2 250.346 0.897 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)CC[NH2+]C(C)(C)C ZINC000931642282 616089518 /nfs/dbraw/zinc/08/95/18/616089518.db2.gz OZWVYXYUVZJIJX-UHFFFAOYSA-N 2 2 271.405 0.555 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H](O)c1ccccc1F)C1CC1 ZINC000843065968 616131298 /nfs/dbraw/zinc/13/12/98/616131298.db2.gz OAWCPZZNAXOHPI-SWLSCSKDSA-N 2 2 282.359 0.904 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H](O)c1ccccc1F)C1CC1 ZINC000843065968 616131299 /nfs/dbraw/zinc/13/12/99/616131299.db2.gz OAWCPZZNAXOHPI-SWLSCSKDSA-N 2 2 282.359 0.904 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)C1CC1 ZINC000848679072 616131917 /nfs/dbraw/zinc/13/19/17/616131917.db2.gz QVRCGAJUQXRPRK-QWHCGFSZSA-N 2 2 283.372 0.014 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)C1CC1 ZINC000848679072 616131918 /nfs/dbraw/zinc/13/19/18/616131918.db2.gz QVRCGAJUQXRPRK-QWHCGFSZSA-N 2 2 283.372 0.014 20 0 CCADLP C[N@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000843358734 616144026 /nfs/dbraw/zinc/14/40/26/616144026.db2.gz XERXRHVVOIFZMN-ZJUUUORDSA-N 2 2 279.306 0.691 20 0 CCADLP C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000843358734 616144027 /nfs/dbraw/zinc/14/40/27/616144027.db2.gz XERXRHVVOIFZMN-ZJUUUORDSA-N 2 2 279.306 0.691 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]C1COC(C)(C)OC1)C1CC1 ZINC000819225822 616149497 /nfs/dbraw/zinc/14/94/97/616149497.db2.gz HIPLNLZDZCLUHD-GFCCVEGCSA-N 2 2 258.362 0.183 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]C1COC(C)(C)OC1)C1CC1 ZINC000819225822 616149498 /nfs/dbraw/zinc/14/94/98/616149498.db2.gz HIPLNLZDZCLUHD-GFCCVEGCSA-N 2 2 258.362 0.183 20 0 CCADLP CN(C[C@H]1CCc2[nH+]ccn2C1)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925417620 616161864 /nfs/dbraw/zinc/16/18/64/616161864.db2.gz OQYIZUBWFXKWNS-CHWSQXEVSA-N 2 2 291.399 0.791 20 0 CCADLP CN(C[C@H]1CCc2[nH+]ccn2C1)C(=O)NC[C@H]1CC[N@H+]1C ZINC000925417620 616161866 /nfs/dbraw/zinc/16/18/66/616161866.db2.gz OQYIZUBWFXKWNS-CHWSQXEVSA-N 2 2 291.399 0.791 20 0 CCADLP C[N@H+]1CC=C(CNC(=O)CNc2cccc[nH+]2)CC1 ZINC000901331334 616165057 /nfs/dbraw/zinc/16/50/57/616165057.db2.gz SNSFYUWSLJPZFQ-UHFFFAOYSA-N 2 2 260.341 0.872 20 0 CCADLP C[N@@H+]1CC=C(CNC(=O)CNc2cccc[nH+]2)CC1 ZINC000901331334 616165059 /nfs/dbraw/zinc/16/50/59/616165059.db2.gz SNSFYUWSLJPZFQ-UHFFFAOYSA-N 2 2 260.341 0.872 20 0 CCADLP C[N@H+]1CC=C(C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)CC1 ZINC000826021696 616165343 /nfs/dbraw/zinc/16/53/43/616165343.db2.gz DIKNZCLYAXRNAT-UHFFFAOYSA-N 2 2 274.328 0.811 20 0 CCADLP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)CC1 ZINC000826021696 616165348 /nfs/dbraw/zinc/16/53/48/616165348.db2.gz DIKNZCLYAXRNAT-UHFFFAOYSA-N 2 2 274.328 0.811 20 0 CCADLP C[NH+]1CCC(CC(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)CC1 ZINC000913450601 616167990 /nfs/dbraw/zinc/16/79/90/616167990.db2.gz CAABZTINQFANIV-AWEZNQCLSA-N 2 2 291.399 0.615 20 0 CCADLP C[NH+]1CCC(C[NH2+]C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC000894668261 616170835 /nfs/dbraw/zinc/17/08/35/616170835.db2.gz OQKJAMCEXSAWCT-OAHLLOKOSA-N 3 2 269.433 0.765 20 0 CCADLP C[NH+]1CCC(C[NH2+]C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC000894668261 616170836 /nfs/dbraw/zinc/17/08/36/616170836.db2.gz OQKJAMCEXSAWCT-OAHLLOKOSA-N 3 2 269.433 0.765 20 0 CCADLP C[NH+]1CCC([C@H]2CCN(C(=O)[C@@H](O)c3c[nH+]c[nH]3)C2)CC1 ZINC000866976570 616176484 /nfs/dbraw/zinc/17/64/84/616176484.db2.gz FEIUBGZWBLIWMZ-JSGCOSHPSA-N 2 2 292.383 0.633 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC000969098721 616179618 /nfs/dbraw/zinc/17/96/18/616179618.db2.gz FPRRJFBLVRGWOR-DGCLKSJQSA-N 2 2 293.371 0.244 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC000969098721 616179619 /nfs/dbraw/zinc/17/96/19/616179619.db2.gz FPRRJFBLVRGWOR-DGCLKSJQSA-N 2 2 293.371 0.244 20 0 CCADLP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925490204 616222659 /nfs/dbraw/zinc/22/26/59/616222659.db2.gz MBSHHDKPJFMEHP-OLZOCXBDSA-N 3 2 280.416 0.010 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000827455893 616238926 /nfs/dbraw/zinc/23/89/26/616238926.db2.gz FJRJMZZESTVJLR-HNNXBMFYSA-N 2 2 294.443 0.319 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000827455893 616238927 /nfs/dbraw/zinc/23/89/27/616238927.db2.gz FJRJMZZESTVJLR-HNNXBMFYSA-N 2 2 294.443 0.319 20 0 CCADLP C[NH+]1CCN(C2CCN(C(=O)[C@H]3CCCC[NH2+]3)CC2)CC1 ZINC000877252101 616239044 /nfs/dbraw/zinc/23/90/44/616239044.db2.gz ZPPDQCYQXNVGQC-OAHLLOKOSA-N 2 2 294.443 0.367 20 0 CCADLP C[NH+]1CCN(C2CC[NH+](CC(=O)NC(C)(C)C)CC2)CC1 ZINC000879591513 616239159 /nfs/dbraw/zinc/23/91/59/616239159.db2.gz OGKBPVSZNSLKTE-UHFFFAOYSA-N 2 2 296.459 0.613 20 0 CCADLP COC(=O)[C@@H]1CC[N@H+](C[C@H]([NH3+])CC(F)F)[C@H]1C ZINC000903916240 616309078 /nfs/dbraw/zinc/30/90/78/616309078.db2.gz RUAMHBZQAPZCDL-DJLDLDEBSA-N 2 2 250.289 0.852 20 0 CCADLP COC(=O)[C@@H]1CC[N@@H+](C[C@H]([NH3+])CC(F)F)[C@H]1C ZINC000903916240 616309081 /nfs/dbraw/zinc/30/90/81/616309081.db2.gz RUAMHBZQAPZCDL-DJLDLDEBSA-N 2 2 250.289 0.852 20 0 CCADLP COC(=O)[C@@H]1CC[N@H+](C[C@H]([NH3+])CC(F)F)[C@@H]1C ZINC000903916242 616309136 /nfs/dbraw/zinc/30/91/36/616309136.db2.gz RUAMHBZQAPZCDL-IWSPIJDZSA-N 2 2 250.289 0.852 20 0 CCADLP COC(=O)[C@@H]1CC[N@@H+](C[C@H]([NH3+])CC(F)F)[C@@H]1C ZINC000903916242 616309139 /nfs/dbraw/zinc/30/91/39/616309139.db2.gz RUAMHBZQAPZCDL-IWSPIJDZSA-N 2 2 250.289 0.852 20 0 CCADLP COC(CC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)OC ZINC000851863438 616310373 /nfs/dbraw/zinc/31/03/73/616310373.db2.gz NTJQFHCEASXBIS-ZDUSSCGKSA-N 2 2 299.415 0.410 20 0 CCADLP COC(CC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1)OC ZINC000851863438 616310377 /nfs/dbraw/zinc/31/03/77/616310377.db2.gz NTJQFHCEASXBIS-ZDUSSCGKSA-N 2 2 299.415 0.410 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1[C@@H]2CC[C@H]1C[N@@H+](C)C2 ZINC000913532623 616367160 /nfs/dbraw/zinc/36/71/60/616367160.db2.gz CMILGBCOPMAAPC-YVECIDJPSA-N 2 2 274.368 0.829 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)C2 ZINC000913532623 616367166 /nfs/dbraw/zinc/36/71/66/616367166.db2.gz CMILGBCOPMAAPC-YVECIDJPSA-N 2 2 274.368 0.829 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000894917076 616390406 /nfs/dbraw/zinc/39/04/06/616390406.db2.gz ZBMKYKFQSVXFBH-ZYHUDNBSSA-N 2 2 263.345 0.266 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000894917076 616390407 /nfs/dbraw/zinc/39/04/07/616390407.db2.gz ZBMKYKFQSVXFBH-ZYHUDNBSSA-N 2 2 263.345 0.266 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945810388 616393140 /nfs/dbraw/zinc/39/31/40/616393140.db2.gz WWPJLGNHEPATLZ-QWHCGFSZSA-N 2 2 280.372 0.356 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000945810388 616393142 /nfs/dbraw/zinc/39/31/42/616393142.db2.gz WWPJLGNHEPATLZ-QWHCGFSZSA-N 2 2 280.372 0.356 20 0 CCADLP COC(=O)C12CC(C1)C[N@@H+]2C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903767278 616401520 /nfs/dbraw/zinc/40/15/20/616401520.db2.gz VGWYTZZSVHBSBX-JANAKTCESA-N 2 2 280.368 0.392 20 0 CCADLP COC(=O)C12CC(C1)C[N@H+]2C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903767278 616401523 /nfs/dbraw/zinc/40/15/23/616401523.db2.gz VGWYTZZSVHBSBX-JANAKTCESA-N 2 2 280.368 0.392 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945810387 616415830 /nfs/dbraw/zinc/41/58/30/616415830.db2.gz WWPJLGNHEPATLZ-OLZOCXBDSA-N 2 2 280.372 0.356 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945810387 616415831 /nfs/dbraw/zinc/41/58/31/616415831.db2.gz WWPJLGNHEPATLZ-OLZOCXBDSA-N 2 2 280.372 0.356 20 0 CCADLP COC1(OC)CC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000926744752 616482604 /nfs/dbraw/zinc/48/26/04/616482604.db2.gz KPACLYBKVDWZEF-RYUDHWBXSA-N 2 2 285.388 0.067 20 0 CCADLP COC1(OC)CC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000926744752 616482606 /nfs/dbraw/zinc/48/26/06/616482606.db2.gz KPACLYBKVDWZEF-RYUDHWBXSA-N 2 2 285.388 0.067 20 0 CCADLP C[N@H+]1C[C@H]2CN(C(=O)NCCCCn3cc[nH+]c3)C[C@H]2C1 ZINC000892226315 616509381 /nfs/dbraw/zinc/50/93/81/616509381.db2.gz GBUPLJJJBQSRFQ-OKILXGFUSA-N 2 2 291.399 0.866 20 0 CCADLP C[N@@H+]1C[C@H]2CN(C(=O)NCCCCn3cc[nH+]c3)C[C@H]2C1 ZINC000892226315 616509382 /nfs/dbraw/zinc/50/93/82/616509382.db2.gz GBUPLJJJBQSRFQ-OKILXGFUSA-N 2 2 291.399 0.866 20 0 CCADLP COC(=O)[C@@H]1[C@H](C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)C1(F)F ZINC000894098375 616511740 /nfs/dbraw/zinc/51/17/40/616511740.db2.gz ZSPFOEVQFZVTRE-IMSYWVGJSA-N 2 2 260.284 0.192 20 0 CCADLP COC1CCC(C[NH2+]CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000892712267 616520870 /nfs/dbraw/zinc/52/08/70/616520870.db2.gz CINBFMKJVKNYKQ-UHFFFAOYSA-N 2 2 283.416 0.555 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H]2CCN2C)CC1 ZINC000896595675 616530173 /nfs/dbraw/zinc/53/01/73/616530173.db2.gz WZVVVVPKAPNQCC-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CC2CC2)C[C@H]1C ZINC000884331737 616555888 /nfs/dbraw/zinc/55/58/88/616555888.db2.gz WDVBIIXDALPVOG-YPMHNXCESA-N 2 2 297.399 0.210 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]([NH3+])CC2CC2)C[C@H]1C ZINC000884331737 616555890 /nfs/dbraw/zinc/55/58/90/616555890.db2.gz WDVBIIXDALPVOG-YPMHNXCESA-N 2 2 297.399 0.210 20 0 CCADLP COC(=O)CCNC(=O)C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874083 616560757 /nfs/dbraw/zinc/56/07/57/616560757.db2.gz GAEDBARISNVCPO-HNNXBMFYSA-N 2 2 297.399 0.131 20 0 CCADLP COC(=O)CCNC(=O)C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874083 616560759 /nfs/dbraw/zinc/56/07/59/616560759.db2.gz GAEDBARISNVCPO-HNNXBMFYSA-N 2 2 297.399 0.131 20 0 CCADLP COC(=O)CC[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000872154242 616571104 /nfs/dbraw/zinc/57/11/04/616571104.db2.gz OTYPXWNFJIOWMF-STQMWFEESA-N 2 2 270.373 0.640 20 0 CCADLP COC(=O)CC[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000872154242 616571107 /nfs/dbraw/zinc/57/11/07/616571107.db2.gz OTYPXWNFJIOWMF-STQMWFEESA-N 2 2 270.373 0.640 20 0 CCADLP COC(=O)CC[C@@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000872154241 616571343 /nfs/dbraw/zinc/57/13/43/616571343.db2.gz OTYPXWNFJIOWMF-QWHCGFSZSA-N 2 2 270.373 0.640 20 0 CCADLP COC(=O)CC[C@@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000872154241 616571346 /nfs/dbraw/zinc/57/13/46/616571346.db2.gz OTYPXWNFJIOWMF-QWHCGFSZSA-N 2 2 270.373 0.640 20 0 CCADLP COCCS(=O)(=O)CCC[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000842475992 616607040 /nfs/dbraw/zinc/60/70/40/616607040.db2.gz CSSXDRFCBSRJSO-YNEHKIRRSA-N 2 2 292.445 0.414 20 0 CCADLP COCC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000884210619 616631230 /nfs/dbraw/zinc/63/12/30/616631230.db2.gz FWOGCXUDZWJZGD-UONOGXRCSA-N 2 2 299.415 0.064 20 0 CCADLP COCC[C@H]([NH3+])C(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000884212620 616674084 /nfs/dbraw/zinc/67/40/84/616674084.db2.gz JLSHKSABFZMASQ-ZDUSSCGKSA-N 2 2 277.368 0.829 20 0 CCADLP COCC[C@H]([NH3+])C(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000884212620 616674087 /nfs/dbraw/zinc/67/40/87/616674087.db2.gz JLSHKSABFZMASQ-ZDUSSCGKSA-N 2 2 277.368 0.829 20 0 CCADLP COC(=O)[C@H]1C[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903752285 616689689 /nfs/dbraw/zinc/68/96/89/616689689.db2.gz MFSPEDKQIBWKMJ-CHWSQXEVSA-N 2 2 298.383 0.019 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903752285 616689691 /nfs/dbraw/zinc/68/96/91/616689691.db2.gz MFSPEDKQIBWKMJ-CHWSQXEVSA-N 2 2 298.383 0.019 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886865873 616705028 /nfs/dbraw/zinc/70/50/28/616705028.db2.gz WZMPZKBGIYDPEG-BXUZGUMPSA-N 2 2 282.388 0.296 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886865873 616705034 /nfs/dbraw/zinc/70/50/34/616705034.db2.gz WZMPZKBGIYDPEG-BXUZGUMPSA-N 2 2 282.388 0.296 20 0 CCADLP COC(=O)[C@H]1[C@@H](C[NH2+]CCn2cc[nH+]c2)C1(F)F ZINC000894148280 616734651 /nfs/dbraw/zinc/73/46/51/616734651.db2.gz WMRNTEQAZYKTNV-RKDXNWHRSA-N 2 2 259.256 0.527 20 0 CCADLP COC(=O)[C@H]1[C@H](C[N@H+](C)CCC[NH+](C)C)C1(F)F ZINC000894765364 616737956 /nfs/dbraw/zinc/73/79/56/616737956.db2.gz ZUPHLPVZFDVOHN-VHSXEESVSA-N 2 2 264.316 0.924 20 0 CCADLP COC(=O)[C@H]1[C@H](C[N@@H+](C)CCC[NH+](C)C)C1(F)F ZINC000894765364 616737961 /nfs/dbraw/zinc/73/79/61/616737961.db2.gz ZUPHLPVZFDVOHN-VHSXEESVSA-N 2 2 264.316 0.924 20 0 CCADLP CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCn1cc[nH+]c1C ZINC000879335279 616750188 /nfs/dbraw/zinc/75/01/88/616750188.db2.gz RGQAYVZOKLUTOE-ZDUSSCGKSA-N 2 2 279.388 0.975 20 0 CCADLP CNC(=O)NC[C@@H]1CCCC[N@H+]1CCn1cc[nH+]c1C ZINC000879335279 616750193 /nfs/dbraw/zinc/75/01/93/616750193.db2.gz RGQAYVZOKLUTOE-ZDUSSCGKSA-N 2 2 279.388 0.975 20 0 CCADLP COC(=O)[C@](C)(Cn1cccn1)[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000904477426 616751426 /nfs/dbraw/zinc/75/14/26/616751426.db2.gz WFYXLEFMDTVRHE-YDHLFZDLSA-N 2 2 294.399 0.793 20 0 CCADLP CO[C@@H]1C[N@H+](C[C@@H](O)CCOC(C)C)[C@@](C)(C[NH3+])C1 ZINC000923409187 616773016 /nfs/dbraw/zinc/77/30/16/616773016.db2.gz BIGDDVLXZOYLNB-MELADBBJSA-N 2 2 274.405 0.601 20 0 CCADLP CO[C@@H]1C[N@@H+](C[C@@H](O)CCOC(C)C)[C@@](C)(C[NH3+])C1 ZINC000923409187 616773022 /nfs/dbraw/zinc/77/30/22/616773022.db2.gz BIGDDVLXZOYLNB-MELADBBJSA-N 2 2 274.405 0.601 20 0 CCADLP CNC(=O)OC[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000805826059 616775465 /nfs/dbraw/zinc/77/54/65/616775465.db2.gz OKUMEGWVASAZTN-ZIAGYGMSSA-N 2 2 299.415 0.654 20 0 CCADLP CNC(=O)OC[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000805826059 616775467 /nfs/dbraw/zinc/77/54/67/616775467.db2.gz OKUMEGWVASAZTN-ZIAGYGMSSA-N 2 2 299.415 0.654 20 0 CCADLP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC[NH2+]C(C)(C)C)C2 ZINC000903976796 616800489 /nfs/dbraw/zinc/80/04/89/616800489.db2.gz AZXKCMVZFPQPBA-ZOWXZIJZSA-N 3 2 283.416 0.587 20 0 CCADLP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC[NH2+]C(C)(C)C)C2 ZINC000903976796 616800491 /nfs/dbraw/zinc/80/04/91/616800491.db2.gz AZXKCMVZFPQPBA-ZOWXZIJZSA-N 3 2 283.416 0.587 20 0 CCADLP COC(=O)[C@]12C[C@H]1CCC[N@@H+]2C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903788506 616806461 /nfs/dbraw/zinc/80/64/61/616806461.db2.gz MUNMLAKNQWTAPL-CLWVCHIJSA-N 2 2 294.395 0.783 20 0 CCADLP COC(=O)[C@]12C[C@H]1CCC[N@H+]2C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903788506 616806463 /nfs/dbraw/zinc/80/64/63/616806463.db2.gz MUNMLAKNQWTAPL-CLWVCHIJSA-N 2 2 294.395 0.783 20 0 CCADLP COC[C@@H](C)[NH+]1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000957663292 616807259 /nfs/dbraw/zinc/80/72/59/616807259.db2.gz HZYVRAHBYJVJGN-GFCCVEGCSA-N 2 2 280.372 0.371 20 0 CCADLP COC(=O)N1CCC[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000817903661 616839656 /nfs/dbraw/zinc/83/96/56/616839656.db2.gz SGCPCUCFLXOMDE-WOPDTQHZSA-N 2 2 255.362 0.805 20 0 CCADLP COCCC1(NC(=O)NCCn2cc[nH+]c2)CC[NH2+]CC1 ZINC000874434011 616847377 /nfs/dbraw/zinc/84/73/77/616847377.db2.gz XRXGPVWJTKTNNK-UHFFFAOYSA-N 2 2 295.387 0.341 20 0 CCADLP CNS(=O)(=O)CC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134685 617017468 /nfs/dbraw/zinc/01/74/68/617017468.db2.gz OFJODZKJODXSQH-GFCCVEGCSA-N 2 2 298.412 0.141 20 0 CCADLP CNS(=O)(=O)CC[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134685 617017471 /nfs/dbraw/zinc/01/74/71/617017471.db2.gz OFJODZKJODXSQH-GFCCVEGCSA-N 2 2 298.412 0.141 20 0 CCADLP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000911737235 617046869 /nfs/dbraw/zinc/04/68/69/617046869.db2.gz SKZITXZRCQRJKE-NWDGAFQWSA-N 2 2 262.357 0.656 20 0 CCADLP CON(C)C(=O)[C@@H](C)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000858586859 617053757 /nfs/dbraw/zinc/05/37/57/617053757.db2.gz LSWXDDVEHGWDRQ-LLVKDONJSA-N 2 2 269.389 0.859 20 0 CCADLP COC[C@H](C)[NH+]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000950524279 617064371 /nfs/dbraw/zinc/06/43/71/617064371.db2.gz JHOBKEXUTDCZGE-AWEZNQCLSA-N 2 2 297.443 0.897 20 0 CCADLP COC[C@H](C)[NH+]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000950524279 617064374 /nfs/dbraw/zinc/06/43/74/617064374.db2.gz JHOBKEXUTDCZGE-AWEZNQCLSA-N 2 2 297.443 0.897 20 0 CCADLP COc1c(C)c[nH+]c(CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)c1C ZINC000844177241 617145758 /nfs/dbraw/zinc/14/57/58/617145758.db2.gz DBEHRKBCYTXCBJ-PJXYFTJBSA-N 2 2 275.352 0.789 20 0 CCADLP COc1c(C)c[nH+]c(CNC(=O)N[C@H](C)C[NH3+])c1C ZINC000841763754 617145769 /nfs/dbraw/zinc/14/57/69/617145769.db2.gz ANPDKJYYNZTPJR-SECBINFHSA-N 2 2 266.345 0.853 20 0 CCADLP COc1c(C)c[nH+]c(CNC(=O)[C@@H](N)CC[NH+](C)C)c1C ZINC000846673535 617145825 /nfs/dbraw/zinc/14/58/25/617145825.db2.gz QNXOLGDMICUNAC-LBPRGKRZSA-N 2 2 294.399 0.602 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000906094631 617148021 /nfs/dbraw/zinc/14/80/21/617148021.db2.gz OXCZEEBYNMQECL-RQJHMYQMSA-N 2 2 291.277 0.783 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2CC[C@@H]([NH2+]CCF)[C@@H]2C1 ZINC001026400006 625431650 /nfs/dbraw/zinc/43/16/50/625431650.db2.gz BVGGAAFUNAZVCT-IACUBPJLSA-N 2 2 294.374 0.759 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000892156383 622620085 /nfs/dbraw/zinc/62/00/85/622620085.db2.gz OJNCTWUYYFDEFC-VIFPVBQESA-N 2 2 273.287 0.217 20 0 CCADLP C[C@H]1CC[C@@H](C[NH2+][C@H]2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)O1 ZINC001022888939 622834452 /nfs/dbraw/zinc/83/44/52/622834452.db2.gz UNLDLJKWDCRQDS-RVMXOQNASA-N 2 2 292.383 0.757 20 0 CCADLP CCNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000052043307 622849740 /nfs/dbraw/zinc/84/97/40/622849740.db2.gz AQPAXMNOYINUEE-GFCCVEGCSA-N 2 2 255.410 0.392 20 0 CCADLP NC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000926648856 623359663 /nfs/dbraw/zinc/35/96/63/623359663.db2.gz ZAHGPEDYCJFBCE-RNJOBUHISA-N 2 2 251.374 0.857 20 0 CCADLP NC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000926648856 623359669 /nfs/dbraw/zinc/35/96/69/623359669.db2.gz ZAHGPEDYCJFBCE-RNJOBUHISA-N 2 2 251.374 0.857 20 0 CCADLP COCC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000052808379 623486867 /nfs/dbraw/zinc/48/68/67/623486867.db2.gz KMZHMDYGYVUPAX-CYBMUJFWSA-N 2 2 297.424 0.756 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)N2CC[C@@H]3C[NH+](C)C[C@H]32)CCO1 ZINC000892595718 623571045 /nfs/dbraw/zinc/57/10/45/623571045.db2.gz JEDCHOYUXOXJQN-MGPQQGTHSA-N 2 2 296.415 0.053 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)N2CC[C@@H]3C[NH+](C)C[C@H]32)CCO1 ZINC000892595718 623571057 /nfs/dbraw/zinc/57/10/57/623571057.db2.gz JEDCHOYUXOXJQN-MGPQQGTHSA-N 2 2 296.415 0.053 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)CCO1 ZINC000892595718 623571063 /nfs/dbraw/zinc/57/10/63/623571063.db2.gz JEDCHOYUXOXJQN-MGPQQGTHSA-N 2 2 296.415 0.053 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)CCO1 ZINC000892595718 623571070 /nfs/dbraw/zinc/57/10/70/623571070.db2.gz JEDCHOYUXOXJQN-MGPQQGTHSA-N 2 2 296.415 0.053 20 0 CCADLP O=C(C[NH+]1CCCC1)N1CC[C@H]([NH2+]Cc2ncccn2)C1 ZINC001019775765 623908874 /nfs/dbraw/zinc/90/88/74/623908874.db2.gz CRQFGCBOVCLIHM-ZDUSSCGKSA-N 2 2 289.383 0.263 20 0 CCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCO)C1)C2 ZINC000969135401 624466435 /nfs/dbraw/zinc/46/64/35/624466435.db2.gz IGYUKMUQXHRWOA-VXGBXAGGSA-N 2 2 292.383 0.006 20 0 CCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[C@@H]([NH2+]CCO)C1)CC2 ZINC000969135401 624466437 /nfs/dbraw/zinc/46/64/37/624466437.db2.gz IGYUKMUQXHRWOA-VXGBXAGGSA-N 2 2 292.383 0.006 20 0 CCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCF)C1)C2 ZINC000969135712 624466594 /nfs/dbraw/zinc/46/65/94/624466594.db2.gz NLVMPAUERVBKPG-VXGBXAGGSA-N 2 2 294.374 0.983 20 0 CCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[C@@H]([NH2+]CCF)C1)CC2 ZINC000969135712 624466599 /nfs/dbraw/zinc/46/65/99/624466599.db2.gz NLVMPAUERVBKPG-VXGBXAGGSA-N 2 2 294.374 0.983 20 0 CCADLP COc1nn(C)cc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000902455154 634388917 /nfs/dbraw/zinc/38/89/17/634388917.db2.gz JQVNNBUJNHOVBX-MELADBBJSA-N 2 2 294.399 0.675 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]C[C@@H]2CCCCO2)C1 ZINC000970103022 624601521 /nfs/dbraw/zinc/60/15/21/624601521.db2.gz KTCUFUGCZMMQNQ-OCCSQVGLSA-N 2 2 292.383 0.712 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]C[C@H]2CCCCO2)C1 ZINC000970103023 624601732 /nfs/dbraw/zinc/60/17/32/624601732.db2.gz KTCUFUGCZMMQNQ-TZMCWYRMSA-N 2 2 292.383 0.712 20 0 CCADLP Cc1noc(C[NH2+][C@H]2C[C@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC001021051837 624652907 /nfs/dbraw/zinc/65/29/07/624652907.db2.gz QKKGBRFACDMTAU-HAQNSBGRSA-N 2 2 293.371 0.211 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000970340520 624678057 /nfs/dbraw/zinc/67/80/57/624678057.db2.gz AGGCIQOKBWBJQE-QWHCGFSZSA-N 2 2 292.383 0.569 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+]Cc2cncs2)C1 ZINC000970341272 624678582 /nfs/dbraw/zinc/67/85/82/624678582.db2.gz MESFEKBRWDMZIW-SNVBAGLBSA-N 2 2 291.380 0.799 20 0 CCADLP Cc1cc(NC(=O)N2CCC[C@@]([NH3+])(CO)C2)c(C)c[nH+]1 ZINC000926082245 624751183 /nfs/dbraw/zinc/75/11/83/624751183.db2.gz AGFUIEUAVSIDMF-AWEZNQCLSA-N 2 2 278.356 0.438 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC000970857842 624771634 /nfs/dbraw/zinc/77/16/34/624771634.db2.gz MNZHDEYJILDMIR-CQSZACIVSA-N 2 2 292.383 0.500 20 0 CCADLP [NH3+]C[C@H]1CC[N@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000050247230 624804112 /nfs/dbraw/zinc/80/41/12/624804112.db2.gz JTXYIGBGGUFDMP-SECBINFHSA-N 2 2 264.354 0.537 20 0 CCADLP [NH3+]C[C@H]1CC[N@@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000050247230 624804117 /nfs/dbraw/zinc/80/41/17/624804117.db2.gz JTXYIGBGGUFDMP-SECBINFHSA-N 2 2 264.354 0.537 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000891895882 624984064 /nfs/dbraw/zinc/98/40/64/624984064.db2.gz PWWYUMVJZGTGSL-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000891895882 624984084 /nfs/dbraw/zinc/98/40/84/624984084.db2.gz PWWYUMVJZGTGSL-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H](NC(=O)NCc1c[nH+]cn1C)[C@@H]1CCC[NH2+]C1 ZINC000891981611 625016349 /nfs/dbraw/zinc/01/63/49/625016349.db2.gz MOLTZVBZSBBJNR-GHMZBOCLSA-N 2 2 265.361 0.607 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](C[C@H](O)CC(F)(F)F)CCCO1 ZINC000313335896 625769745 /nfs/dbraw/zinc/76/97/45/625769745.db2.gz BWRSMACKOSLUJU-RKDXNWHRSA-N 2 2 256.268 0.349 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)CCCO1 ZINC000313335896 625769749 /nfs/dbraw/zinc/76/97/49/625769749.db2.gz BWRSMACKOSLUJU-RKDXNWHRSA-N 2 2 256.268 0.349 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)O)CC1(C)C ZINC000977539823 625946596 /nfs/dbraw/zinc/94/65/96/625946596.db2.gz YHFFXDUIZJWDCT-ZWNOBZJWSA-N 2 2 294.399 0.468 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](C[C@@H](C)O)CC1(C)C ZINC000977539823 625946601 /nfs/dbraw/zinc/94/66/01/625946601.db2.gz YHFFXDUIZJWDCT-ZWNOBZJWSA-N 2 2 294.399 0.468 20 0 CCADLP Cc1cn2c(nc(C[N@@H+]3CC[C@H](C[NH3+])C3)cc2=O)s1 ZINC000903422821 634562993 /nfs/dbraw/zinc/56/29/93/634562993.db2.gz JEUKUIGRWIEYII-SNVBAGLBSA-N 2 2 278.381 0.845 20 0 CCADLP Cc1cn2c(nc(C[N@H+]3CC[C@H](C[NH3+])C3)cc2=O)s1 ZINC000903422821 634563000 /nfs/dbraw/zinc/56/30/00/634563000.db2.gz JEUKUIGRWIEYII-SNVBAGLBSA-N 2 2 278.381 0.845 20 0 CCADLP O=C1CCC(=O)N1CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903486250 634574464 /nfs/dbraw/zinc/57/44/64/634574464.db2.gz TZKAQCNTQNIIBZ-LLVKDONJSA-N 2 2 265.357 0.400 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000903479693 634576542 /nfs/dbraw/zinc/57/65/42/634576542.db2.gz WLUMUDYLDZJYNX-NDBYEHHHSA-N 2 2 272.414 0.208 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000903479693 634576547 /nfs/dbraw/zinc/57/65/47/634576547.db2.gz WLUMUDYLDZJYNX-NDBYEHHHSA-N 2 2 272.414 0.208 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)OCC(F)(F)F)CC1 ZINC000903564999 634609017 /nfs/dbraw/zinc/60/90/17/634609017.db2.gz BTGNZINZOZNUOQ-UHFFFAOYSA-N 2 2 269.267 0.698 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)CC[NH2+]1 ZINC000903918756 634685381 /nfs/dbraw/zinc/68/53/81/634685381.db2.gz HDQNQESWDGWOIO-AGIUHOORSA-N 3 2 278.404 0.433 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cnn1C ZINC000903919594 634686458 /nfs/dbraw/zinc/68/64/58/634686458.db2.gz OOXXOSSSXKEEEM-LNSITVRQSA-N 3 2 279.432 0.576 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCOC(C)(C)C2)cnn1C ZINC000903920628 634686629 /nfs/dbraw/zinc/68/66/29/634686629.db2.gz KMDJBURJARSFCQ-CYBMUJFWSA-N 2 2 280.416 0.957 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCOC(C)(C)C2)cnn1C ZINC000903920628 634686637 /nfs/dbraw/zinc/68/66/37/634686637.db2.gz KMDJBURJARSFCQ-CYBMUJFWSA-N 2 2 280.416 0.957 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cnn1C ZINC000903919585 634686759 /nfs/dbraw/zinc/68/67/59/634686759.db2.gz OLIGJCZBXZEJMD-UKRRQHHQSA-N 3 2 293.459 0.824 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[NH2+]CCCn2cc[nH+]c2)cnn1C ZINC000903926945 634687444 /nfs/dbraw/zinc/68/74/44/634687444.db2.gz VWBXLGNXEZOMAH-CQSZACIVSA-N 3 2 290.415 0.722 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cnn1C ZINC000903916287 634694821 /nfs/dbraw/zinc/69/48/21/634694821.db2.gz GPBZQYPAQCWLOJ-FMKPAKJESA-N 3 2 291.443 0.530 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cnn1C ZINC000903916287 634694822 /nfs/dbraw/zinc/69/48/22/634694822.db2.gz GPBZQYPAQCWLOJ-FMKPAKJESA-N 3 2 291.443 0.530 20 0 CCADLP C[C@H]1CC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CCO1 ZINC000903987633 634703855 /nfs/dbraw/zinc/70/38/55/634703855.db2.gz IASPAWFACYJJDA-STQMWFEESA-N 2 2 279.388 0.813 20 0 CCADLP C[C@H]1CC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CCO1 ZINC000903987633 634703859 /nfs/dbraw/zinc/70/38/59/634703859.db2.gz IASPAWFACYJJDA-STQMWFEESA-N 2 2 279.388 0.813 20 0 CCADLP Cn1cnnc1N1CC[NH+](C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904375422 634737979 /nfs/dbraw/zinc/73/79/79/634737979.db2.gz AHSVLKXOUZONHI-AWEZNQCLSA-N 2 2 278.404 0.327 20 0 CCADLP NC(=O)c1csc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000904421176 634748033 /nfs/dbraw/zinc/74/80/33/634748033.db2.gz RJJKVMUMLVEBNR-GXSJLCMTSA-N 2 2 265.382 0.888 20 0 CCADLP NC(=O)c1csc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000904421176 634748040 /nfs/dbraw/zinc/74/80/40/634748040.db2.gz RJJKVMUMLVEBNR-GXSJLCMTSA-N 2 2 265.382 0.888 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)CCC1(O)CCC1 ZINC000905045327 634784304 /nfs/dbraw/zinc/78/43/04/634784304.db2.gz IBCPXTPBJQBXMU-STQMWFEESA-N 2 2 267.373 0.917 20 0 CCADLP O[C@@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1(O)CCCC1 ZINC000905261963 634829282 /nfs/dbraw/zinc/82/92/82/634829282.db2.gz DKQHDSUJCGDPRK-GWCFXTLKSA-N 2 2 265.357 0.523 20 0 CCADLP O[C@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1(O)CCCC1 ZINC000905261964 634829437 /nfs/dbraw/zinc/82/94/37/634829437.db2.gz DKQHDSUJCGDPRK-GXFFZTMASA-N 2 2 265.357 0.523 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]([N@@H+](C)C[C@H](C)O)C1 ZINC001027664001 630839542 /nfs/dbraw/zinc/83/95/42/630839542.db2.gz NTIRUDGZIIYKNQ-AAEUAGOBSA-N 2 2 294.399 0.564 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]([N@H+](C)C[C@H](C)O)C1 ZINC001027664001 630839547 /nfs/dbraw/zinc/83/95/47/630839547.db2.gz NTIRUDGZIIYKNQ-AAEUAGOBSA-N 2 2 294.399 0.564 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC000925762454 630951182 /nfs/dbraw/zinc/95/11/82/630951182.db2.gz LAVFDPGNZHXWIX-WOPDTQHZSA-N 2 2 260.403 0.541 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([N@H+](C)CCF)C1 ZINC000980262401 631006312 /nfs/dbraw/zinc/00/63/12/631006312.db2.gz FIILKTUUMOZNBW-NSHDSACASA-N 2 2 268.336 0.763 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([N@@H+](C)CCF)C1 ZINC000980262401 631006315 /nfs/dbraw/zinc/00/63/15/631006315.db2.gz FIILKTUUMOZNBW-NSHDSACASA-N 2 2 268.336 0.763 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000925803241 631262982 /nfs/dbraw/zinc/26/29/82/631262982.db2.gz OECAUOVBMLNNET-RZFFKMDDSA-N 3 2 267.417 0.589 20 0 CCADLP Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)cn1 ZINC001010369868 631352749 /nfs/dbraw/zinc/35/27/49/631352749.db2.gz PELFIMUUQDWIJY-KGLIPLIRSA-N 2 2 291.399 0.205 20 0 CCADLP Cn1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)cn1 ZINC001010369868 631352755 /nfs/dbraw/zinc/35/27/55/631352755.db2.gz PELFIMUUQDWIJY-KGLIPLIRSA-N 2 2 291.399 0.205 20 0 CCADLP Cn1cc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC001010369868 631352764 /nfs/dbraw/zinc/35/27/64/631352764.db2.gz PELFIMUUQDWIJY-KGLIPLIRSA-N 2 2 291.399 0.205 20 0 CCADLP Cn1cc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)cn1 ZINC001010369868 631352769 /nfs/dbraw/zinc/35/27/69/631352769.db2.gz PELFIMUUQDWIJY-KGLIPLIRSA-N 2 2 291.399 0.205 20 0 CCADLP Cc1ncoc1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001010382318 631367790 /nfs/dbraw/zinc/36/77/90/631367790.db2.gz HUAZJBBDFOJWGX-OLZOCXBDSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1ncoc1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001010382318 631367795 /nfs/dbraw/zinc/36/77/95/631367795.db2.gz HUAZJBBDFOJWGX-OLZOCXBDSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1ncoc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010382318 631367800 /nfs/dbraw/zinc/36/78/00/631367800.db2.gz HUAZJBBDFOJWGX-OLZOCXBDSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1ncoc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010382318 631367806 /nfs/dbraw/zinc/36/78/06/631367806.db2.gz HUAZJBBDFOJWGX-OLZOCXBDSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1ncoc1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000894255105 631641430 /nfs/dbraw/zinc/64/14/30/631641430.db2.gz AIDXAKNXVNZIHL-AWEZNQCLSA-N 2 2 294.399 0.479 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CCO)CC[C@@H]1C ZINC000968596630 650022794 /nfs/dbraw/zinc/02/27/94/650022794.db2.gz LBVOQBDQVZPVQP-GXFFZTMASA-N 2 2 280.372 0.080 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CCO)CC[C@@H]1C ZINC000968596630 650022796 /nfs/dbraw/zinc/02/27/96/650022796.db2.gz LBVOQBDQVZPVQP-GXFFZTMASA-N 2 2 280.372 0.080 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@@H+]1C ZINC000928438380 631841002 /nfs/dbraw/zinc/84/10/02/631841002.db2.gz ZNJPGNJAZHCZEQ-KKOKHZNYSA-N 2 2 262.357 0.732 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@H+]1C ZINC000928438380 631841007 /nfs/dbraw/zinc/84/10/07/631841007.db2.gz ZNJPGNJAZHCZEQ-KKOKHZNYSA-N 2 2 262.357 0.732 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H](C[NH2+]C[C@@H]2CCOC2)C1 ZINC000984961195 632344765 /nfs/dbraw/zinc/34/47/65/632344765.db2.gz PSBAFTOCVDNKBM-AVGNSLFASA-N 2 2 292.383 0.473 20 0 CCADLP C[C@H]1[C@H]([NH2+]CCF)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000986343399 632747047 /nfs/dbraw/zinc/74/70/47/632747047.db2.gz KRKLTJNBZUJEFX-CMPLNLGQSA-N 2 2 268.336 0.891 20 0 CCADLP C[C@H]1[C@H]([NH2+]CCF)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000986343399 632747053 /nfs/dbraw/zinc/74/70/53/632747053.db2.gz KRKLTJNBZUJEFX-CMPLNLGQSA-N 2 2 268.336 0.891 20 0 CCADLP CC(C)[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000987349671 632859728 /nfs/dbraw/zinc/85/97/28/632859728.db2.gz WQQQYDOXWYKOGG-WCQYABFASA-N 2 2 264.373 0.950 20 0 CCADLP CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000988743428 633099856 /nfs/dbraw/zinc/09/98/56/633099856.db2.gz MGPLFFIDMNMSOL-GHMZBOCLSA-N 2 2 250.346 0.941 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000865659873 633209257 /nfs/dbraw/zinc/20/92/57/633209257.db2.gz TYXUEEAHLVSESC-FRRDWIJNSA-N 2 2 255.406 0.371 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000865659873 633209261 /nfs/dbraw/zinc/20/92/61/633209261.db2.gz TYXUEEAHLVSESC-FRRDWIJNSA-N 2 2 255.406 0.371 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H]1N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000865659873 633209271 /nfs/dbraw/zinc/20/92/71/633209271.db2.gz TYXUEEAHLVSESC-FRRDWIJNSA-N 2 2 255.406 0.371 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H]1N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000865659873 633209278 /nfs/dbraw/zinc/20/92/78/633209278.db2.gz TYXUEEAHLVSESC-FRRDWIJNSA-N 2 2 255.406 0.371 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000897791002 633242639 /nfs/dbraw/zinc/24/26/39/633242639.db2.gz AVLITSHEPZBUJX-LLVKDONJSA-N 2 2 250.346 0.909 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000897791002 633242643 /nfs/dbraw/zinc/24/26/43/633242643.db2.gz AVLITSHEPZBUJX-LLVKDONJSA-N 2 2 250.346 0.909 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)C2C[NH+](C3CCOCC3)C2)c1 ZINC000897953637 633263504 /nfs/dbraw/zinc/26/35/04/633263504.db2.gz YPXQFDDDMCWNOM-UHFFFAOYSA-N 2 2 292.383 0.190 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCc1nnnn1C ZINC000898040708 633272298 /nfs/dbraw/zinc/27/22/98/633272298.db2.gz YKUNNCJAGBVBQR-CMPLNLGQSA-N 2 2 264.377 0.215 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCc1nnnn1C ZINC000898040708 633272302 /nfs/dbraw/zinc/27/23/02/633272302.db2.gz YKUNNCJAGBVBQR-CMPLNLGQSA-N 2 2 264.377 0.215 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCn1ccc(=O)[nH]c1=O ZINC000898334026 633305979 /nfs/dbraw/zinc/30/59/79/633305979.db2.gz ZPXFVYWGVARNDO-DGCLKSJQSA-N 2 2 292.383 0.411 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCn1ccc(=O)[nH]c1=O ZINC000898334026 633305990 /nfs/dbraw/zinc/30/59/90/633305990.db2.gz ZPXFVYWGVARNDO-DGCLKSJQSA-N 2 2 292.383 0.411 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC000899248840 633773090 /nfs/dbraw/zinc/77/30/90/633773090.db2.gz ZTEQLRIVYKJQDF-OBJOEFQTSA-N 2 2 277.372 0.713 20 0 CCADLP C/C(=C\C(=O)N(C)CC[NH+]1CCCC1)C[NH+]1CCOCC1 ZINC000900560525 634043319 /nfs/dbraw/zinc/04/33/19/634043319.db2.gz LPJPCZCICMAWKP-FYWRMAATSA-N 2 2 295.427 0.819 20 0 CCADLP CO[C@@H](C)C[N@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001009347890 650142902 /nfs/dbraw/zinc/14/29/02/650142902.db2.gz UXJHNDNLMCBQMH-AAEUAGOBSA-N 2 2 294.399 0.876 20 0 CCADLP O=C(CNc1cccc[nH+]1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000908539615 635408269 /nfs/dbraw/zinc/40/82/69/635408269.db2.gz CHJDIRLRMRNEBY-CYBMUJFWSA-N 2 2 292.383 0.457 20 0 CCADLP O=C(CNc1cccc[nH+]1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000908539615 635408272 /nfs/dbraw/zinc/40/82/72/635408272.db2.gz CHJDIRLRMRNEBY-CYBMUJFWSA-N 2 2 292.383 0.457 20 0 CCADLP [NH3+]C[C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000911707328 636357627 /nfs/dbraw/zinc/35/76/27/636357627.db2.gz MIAJKSXWKRIFLT-VXGBXAGGSA-N 2 2 262.357 0.643 20 0 CCADLP [NH3+][C@@H](CNC(=O)C[C@H]([NH3+])C(F)F)c1ccccc1 ZINC000911765801 636370876 /nfs/dbraw/zinc/37/08/76/636370876.db2.gz AJRGZSRZVBYTOI-UWVGGRQHSA-N 2 2 257.284 0.785 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[NH2+]CC1(C)C ZINC000911844454 636420407 /nfs/dbraw/zinc/42/04/07/636420407.db2.gz GKZQLWIUHKFOBO-JTQLQIEISA-N 2 2 250.346 0.799 20 0 CCADLP C[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)[C@@H]1CCCO1 ZINC000912387313 636561280 /nfs/dbraw/zinc/56/12/80/636561280.db2.gz OGYHGKNWBGLQMR-KGLIPLIRSA-N 2 2 285.432 0.801 20 0 CCADLP C[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)[C@@H]1CCCO1 ZINC000912387313 636561287 /nfs/dbraw/zinc/56/12/87/636561287.db2.gz OGYHGKNWBGLQMR-KGLIPLIRSA-N 2 2 285.432 0.801 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](C)[C@@H](CO)C1)[NH+]1CCCCCC1 ZINC000913549200 636844062 /nfs/dbraw/zinc/84/40/62/636844062.db2.gz XSADFUIQRQBSRJ-UONOGXRCSA-N 2 2 283.416 0.386 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](C)[C@@H](CO)C1)[NH+]1CCCCCC1 ZINC000913549200 636844065 /nfs/dbraw/zinc/84/40/65/636844065.db2.gz XSADFUIQRQBSRJ-UONOGXRCSA-N 2 2 283.416 0.386 20 0 CCADLP C[C@H]([NH3+])[C@H]1C[N@H+](C[C@@H](O)CC2CCCC2)CCO1 ZINC000232148798 637245487 /nfs/dbraw/zinc/24/54/87/637245487.db2.gz FNKNVUPGVOUEGC-FPMFFAJLSA-N 2 2 256.390 0.976 20 0 CCADLP C[C@H]([NH3+])[C@H]1C[N@@H+](C[C@@H](O)CC2CCCC2)CCO1 ZINC000232148798 637245496 /nfs/dbraw/zinc/24/54/96/637245496.db2.gz FNKNVUPGVOUEGC-FPMFFAJLSA-N 2 2 256.390 0.976 20 0 CCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@H]1CC[N@@H+]1C ZINC000915662338 637780318 /nfs/dbraw/zinc/78/03/18/637780318.db2.gz IRTUUIXXOKVKRA-DGCLKSJQSA-N 2 2 279.388 0.831 20 0 CCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@H]1CC[N@H+]1C ZINC000915662338 637780320 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C[N@H+](CC(F)F)C1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000844188361 643176937 /nfs/dbraw/zinc/17/69/37/643176937.db2.gz RJRWLIDITKSSJN-JLLWLGSASA-N 2 2 287.354 0.925 20 0 CCADLP C[N@@H+](CC(F)F)C1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000844188361 643176940 /nfs/dbraw/zinc/17/69/40/643176940.db2.gz RJRWLIDITKSSJN-JLLWLGSASA-N 2 2 287.354 0.925 20 0 CCADLP Cn1c(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cnc1Cl ZINC000848548216 643651979 /nfs/dbraw/zinc/65/19/79/643651979.db2.gz YHKITTRLXLDRFU-NSHDSACASA-N 2 2 258.753 0.230 20 0 CCADLP Cn1c(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cnc1Cl ZINC000848548216 643651984 /nfs/dbraw/zinc/65/19/84/643651984.db2.gz YHKITTRLXLDRFU-NSHDSACASA-N 2 2 258.753 0.230 20 0 CCADLP C[C@@H]1CN(C(=[NH2+])NCc2c[nH+]c3n2CCCC3)CCO1 ZINC000849002593 643698063 /nfs/dbraw/zinc/69/80/63/643698063.db2.gz KUONHVJQWRRSEF-LLVKDONJSA-N 2 2 277.372 0.964 20 0 CCADLP C[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000849048820 643708582 /nfs/dbraw/zinc/70/85/82/643708582.db2.gz LVXALOGTMSMELR-FQUUOJAGSA-N 2 2 298.431 0.777 20 0 CCADLP C[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000849048820 643708587 /nfs/dbraw/zinc/70/85/87/643708587.db2.gz LVXALOGTMSMELR-FQUUOJAGSA-N 2 2 298.431 0.777 20 0 CCADLP [NH3+]Cc1cccc(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000851644381 643863204 /nfs/dbraw/zinc/86/32/04/643863204.db2.gz PCYXGFILHHTARO-HNNXBMFYSA-N 2 2 289.379 0.692 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852441865 643966346 /nfs/dbraw/zinc/96/63/46/643966346.db2.gz IIHRZXHJQOYGCZ-CYBMUJFWSA-N 2 2 278.356 0.879 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852441865 643966348 /nfs/dbraw/zinc/96/63/48/643966348.db2.gz IIHRZXHJQOYGCZ-CYBMUJFWSA-N 2 2 278.356 0.879 20 0 CCADLP C[C@@H]([NH2+]C1CC1)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000852847242 644021113 /nfs/dbraw/zinc/02/11/13/644021113.db2.gz QBGPYCMOVZLETQ-IJLUTSLNSA-N 2 2 269.389 0.352 20 0 CCADLP C[C@@H]([NH2+]C1CC1)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000852847242 644021116 /nfs/dbraw/zinc/02/11/16/644021116.db2.gz QBGPYCMOVZLETQ-IJLUTSLNSA-N 2 2 269.389 0.352 20 0 CCADLP [NH3+]C[C@@H]1CC(C(=O)N2CCC(n3cc[nH+]c3)CC2)=NO1 ZINC000852864209 644030024 /nfs/dbraw/zinc/03/00/24/644030024.db2.gz ZRLFIPYYAGIZIT-NSHDSACASA-N 2 2 277.328 0.150 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2csnn2)C1 ZINC001018628793 650886549 /nfs/dbraw/zinc/88/65/49/650886549.db2.gz PVKHAAJTUPOWSE-CMPLNLGQSA-N 2 2 295.412 0.323 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2csnn2)C1 ZINC001018628793 650886552 /nfs/dbraw/zinc/88/65/52/650886552.db2.gz PVKHAAJTUPOWSE-CMPLNLGQSA-N 2 2 295.412 0.323 20 0 CCADLP C[C@@H](NC(=O)N(C)C[C@H](C)[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000861574302 644894212 /nfs/dbraw/zinc/89/42/12/644894212.db2.gz RLVGIUCBHNNEDN-TUAOUCFPSA-N 2 2 272.393 0.084 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC001019438666 650972851 /nfs/dbraw/zinc/97/28/51/650972851.db2.gz RDLCOQBSEWCYAF-OLZOCXBDSA-N 2 2 292.383 0.569 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]([NH2+]Cc2cncs2)C1 ZINC001019565983 650988416 /nfs/dbraw/zinc/98/84/16/650988416.db2.gz MESFEKBRWDMZIW-JTQLQIEISA-N 2 2 291.380 0.799 20 0 CCADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)CC[NH3+])C2)c1 ZINC000867998059 645700055 /nfs/dbraw/zinc/70/00/55/645700055.db2.gz OMCDECBWISSBOF-HNNXBMFYSA-N 2 2 291.395 0.661 20 0 CCADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)CC[NH3+])C2)c1 ZINC000867998059 645700060 /nfs/dbraw/zinc/70/00/60/645700060.db2.gz OMCDECBWISSBOF-HNNXBMFYSA-N 2 2 291.395 0.661 20 0 CCADLP O=C(N[C@H]1C[C@H]([NH2+]CCF)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001020313853 651059008 /nfs/dbraw/zinc/05/90/08/651059008.db2.gz IWTLPPNVTRAGFX-IJLUTSLNSA-N 2 2 280.347 0.652 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@H](C)CO1 ZINC000870953276 646060571 /nfs/dbraw/zinc/06/05/71/646060571.db2.gz SAOMNWFEZRIPIB-AAVRWANBSA-N 2 2 283.416 0.729 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@H](C)CO1 ZINC000870953276 646060582 /nfs/dbraw/zinc/06/05/82/646060582.db2.gz SAOMNWFEZRIPIB-AAVRWANBSA-N 2 2 283.416 0.729 20 0 CCADLP [NH3+][C@H]1C[C@@H](CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000870963561 646064079 /nfs/dbraw/zinc/06/40/79/646064079.db2.gz NYSPRFHYMREIEN-MBNYWOFBSA-N 2 2 281.400 0.483 20 0 CCADLP [NH3+][C@H]1C[C@@H](CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000870963561 646064082 /nfs/dbraw/zinc/06/40/82/646064082.db2.gz NYSPRFHYMREIEN-MBNYWOFBSA-N 2 2 281.400 0.483 20 0 CCADLP C[C@@H]([NH2+]C[C@]12COC(=O)N1CCOC2)[C@@H]1CCCC[NH2+]1 ZINC000873250084 646366294 /nfs/dbraw/zinc/36/62/94/646366294.db2.gz OZRSLGBEMPFSMX-DYEKYZERSA-N 2 2 283.372 0.328 20 0 CCADLP C[C@](C[NH3+])(NC(=O)/C=C/C[NH+]1CCOCC1)C1CC1 ZINC000876530010 646620360 /nfs/dbraw/zinc/62/03/60/646620360.db2.gz NSNOQBKOXVLLRO-BAABZTOOSA-N 2 2 267.373 0.118 20 0 CCADLP O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000876733025 646652927 /nfs/dbraw/zinc/65/29/27/646652927.db2.gz MIVLODYPQABDOZ-HZSPNIEDSA-N 2 2 299.390 0.257 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)[NH+]1CCOCC1 ZINC000876756575 646657955 /nfs/dbraw/zinc/65/79/55/646657955.db2.gz VMXMQOFRMYEBLT-VLEAKVRGSA-N 2 2 291.342 0.052 20 0 CCADLP C[C@@]1(CNC(=O)/C=C/C[NH+]2CCOCC2)CCC[NH2+]C1 ZINC000876799077 646668000 /nfs/dbraw/zinc/66/80/00/646668000.db2.gz XTNKLJNSXMJBQE-TXTHVTMNSA-N 2 2 281.400 0.381 20 0 CCADLP [NH3+]Cc1ccc(NC(=O)/C=C/C[NH+]2CCOCC2)cc1 ZINC000876809845 646672499 /nfs/dbraw/zinc/67/24/99/646672499.db2.gz YZNPKZXUAWEBAU-OWOJBTEDSA-N 2 2 275.352 0.972 20 0 CCADLP O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000876866236 646686064 /nfs/dbraw/zinc/68/60/64/646686064.db2.gz AIVBWTCKVOTTLI-MRTMQBJTSA-N 2 2 270.283 0.627 20 0 CCADLP O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000876866236 646686067 /nfs/dbraw/zinc/68/60/67/646686067.db2.gz AIVBWTCKVOTTLI-MRTMQBJTSA-N 2 2 270.283 0.627 20 0 CCADLP Cc1cc(CNC(=O)c2c(C[NH3+])cnn2C)cc(C)[nH+]1 ZINC000876927123 646699297 /nfs/dbraw/zinc/69/92/97/646699297.db2.gz RLPMTHVHBUIAIC-UHFFFAOYSA-N 2 2 273.340 0.821 20 0 CCADLP O=C(CCC12CC(C1)C[NH2+]2)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000876972658 646711241 /nfs/dbraw/zinc/71/12/41/646711241.db2.gz NDIUPARLXZAENU-BBBYJDLNSA-N 2 2 292.427 0.025 20 0 CCADLP O=C(CCC12CC(C1)C[NH2+]2)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000876972658 646711246 /nfs/dbraw/zinc/71/12/46/646711246.db2.gz NDIUPARLXZAENU-BBBYJDLNSA-N 2 2 292.427 0.025 20 0 CCADLP C[C@@H](CC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)n1cc[nH+]c1 ZINC000877372331 646804236 /nfs/dbraw/zinc/80/42/36/646804236.db2.gz CFEQNBABWOZEEA-SGMGOOAPSA-N 2 2 262.357 0.902 20 0 CCADLP O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)[C@@H]1CCn2cc[nH+]c2C1 ZINC000877385835 646807663 /nfs/dbraw/zinc/80/76/63/646807663.db2.gz NFSLYQYMGVXOTB-XUJVJEKNSA-N 2 2 274.368 0.846 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)NC2CC[NH+](C)CC2)CC(C)(C)O1 ZINC000877995956 646858221 /nfs/dbraw/zinc/85/82/21/646858221.db2.gz YBUKZIWLUVNPLJ-LBPRGKRZSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)NC2CC[NH+](C)CC2)CC(C)(C)O1 ZINC000877995956 646858222 /nfs/dbraw/zinc/85/82/22/646858222.db2.gz YBUKZIWLUVNPLJ-LBPRGKRZSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C)CC2)[C@H](C)[C@H](C)O1 ZINC000878481130 646916664 /nfs/dbraw/zinc/91/66/64/646916664.db2.gz ADDGPCLGAKFHQQ-UPJWGTAASA-N 2 2 283.416 0.695 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C)CC2)[C@H](C)[C@H](C)O1 ZINC000878481130 646916665 /nfs/dbraw/zinc/91/66/65/646916665.db2.gz ADDGPCLGAKFHQQ-UPJWGTAASA-N 2 2 283.416 0.695 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000880526783 647220970 /nfs/dbraw/zinc/22/09/70/647220970.db2.gz NYCHRRIJSCVZJL-DGCLKSJQSA-N 2 2 262.357 0.563 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000880526783 647220978 /nfs/dbraw/zinc/22/09/78/647220978.db2.gz NYCHRRIJSCVZJL-DGCLKSJQSA-N 2 2 262.357 0.563 20 0 CCADLP Cn1cc(C[NH+]2CCN(C[C@@H]3C[C@H](F)C[NH2+]3)CC2)cn1 ZINC000883424018 647523576 /nfs/dbraw/zinc/52/35/76/647523576.db2.gz BLYGRZHBTCRKCX-KBPBESRZSA-N 2 2 281.379 0.238 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[NH2+]CC2(C)C)CCO1 ZINC000884206460 647668066 /nfs/dbraw/zinc/66/80/66/647668066.db2.gz VYALCMKCJRSPKW-NEPJUHHUSA-N 2 2 269.389 0.069 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[NH2+]CC2(C)C)CCO1 ZINC000884206460 647668071 /nfs/dbraw/zinc/66/80/71/647668071.db2.gz VYALCMKCJRSPKW-NEPJUHHUSA-N 2 2 269.389 0.069 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@H]([NH3+])CC1CC1)[NH+]1CCOCC1 ZINC000884212279 647669922 /nfs/dbraw/zinc/66/99/22/647669922.db2.gz AHYNZGJHVJOWMV-DMDPSCGWSA-N 2 2 269.389 0.339 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]([NH3+])CC2CC2)[C@H](C)CO1 ZINC000884401722 647728079 /nfs/dbraw/zinc/72/80/79/647728079.db2.gz ZBTBOKRHMOIWOM-WZRBSPASSA-N 2 2 269.389 0.339 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]([NH3+])CC2CC2)[C@H](C)CO1 ZINC000884401722 647728089 /nfs/dbraw/zinc/72/80/89/647728089.db2.gz ZBTBOKRHMOIWOM-WZRBSPASSA-N 2 2 269.389 0.339 20 0 CCADLP C[C@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)N1CC[NH+](C)CC1 ZINC000925497062 648339255 /nfs/dbraw/zinc/33/92/55/648339255.db2.gz TVYHHNOKDLYQGU-CABCVRRESA-N 3 2 280.460 0.887 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@H]2CC[NH+]2C)[C@H](C)CO1 ZINC000925434399 648434852 /nfs/dbraw/zinc/43/48/52/648434852.db2.gz JKPSLZPRKPBMBV-JHJVBQTASA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@H]2CC[NH+]2C)[C@H](C)CO1 ZINC000925434399 648434854 /nfs/dbraw/zinc/43/48/54/648434854.db2.gz JKPSLZPRKPBMBV-JHJVBQTASA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@H]2CC[N@@H+]2C)[C@H](C)CO1 ZINC000925434399 648434855 /nfs/dbraw/zinc/43/48/55/648434855.db2.gz JKPSLZPRKPBMBV-JHJVBQTASA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@H]2CC[N@H+]2C)[C@H](C)CO1 ZINC000925434399 648434857 /nfs/dbraw/zinc/43/48/57/648434857.db2.gz JKPSLZPRKPBMBV-JHJVBQTASA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H](CN1CCCC1=O)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925504323 648440079 /nfs/dbraw/zinc/44/00/79/648440079.db2.gz LRRDMLBXJLJMMG-RYUDHWBXSA-N 2 2 251.374 0.872 20 0 CCADLP O=C1C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CN1C1CC1 ZINC000925576359 648444761 /nfs/dbraw/zinc/44/47/61/648444761.db2.gz KAILRHWKMVKYQY-XLZSSBLRSA-N 2 2 261.369 0.336 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000925628546 648449252 /nfs/dbraw/zinc/44/92/52/648449252.db2.gz IKEXGEQPJMHUHD-YNEHKIRRSA-N 2 2 270.373 0.639 20 0 CCADLP c1cnnc(N2CCC([NH2+][C@@H]3C[NH2+]CCOC3)CC2)c1 ZINC000925651409 648450929 /nfs/dbraw/zinc/45/09/29/648450929.db2.gz BZOJBDZDQDZFHY-CYBMUJFWSA-N 2 2 277.372 0.023 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cn(C2CC2)c(=O)[nH]c1=O ZINC000925766853 648459295 /nfs/dbraw/zinc/45/92/95/648459295.db2.gz SOGKFYKYDGSEPO-GHMZBOCLSA-N 2 2 264.329 0.253 20 0 CCADLP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1ccc(-n2cnnn2)cc1 ZINC000925788181 648461170 /nfs/dbraw/zinc/46/11/70/648461170.db2.gz ZBEIHOIDZZZKFR-UHIISALHSA-N 2 2 272.356 0.921 20 0 CCADLP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000926449376 648504343 /nfs/dbraw/zinc/50/43/43/648504343.db2.gz FYTCEBCUTBJJJN-VWYCJHECSA-N 2 2 262.357 0.914 20 0 CCADLP O=C1C[C@H](C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CN1 ZINC000926577090 648511191 /nfs/dbraw/zinc/51/11/91/648511191.db2.gz SNUWNAQCMXFKSW-JHJVBQTASA-N 2 2 251.374 0.729 20 0 CCADLP O=C1C[C@H](C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CN1 ZINC000926577090 648511194 /nfs/dbraw/zinc/51/11/94/648511194.db2.gz SNUWNAQCMXFKSW-JHJVBQTASA-N 2 2 251.374 0.729 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928084690 648613974 /nfs/dbraw/zinc/61/39/74/648613974.db2.gz DZQKXEXNZASVPK-DGCLKSJQSA-N 2 2 294.424 0.957 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928084690 648613976 /nfs/dbraw/zinc/61/39/76/648613976.db2.gz DZQKXEXNZASVPK-DGCLKSJQSA-N 2 2 294.424 0.957 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CCO[C@@H]2CCOC2)CC1 ZINC000930068277 648817954 /nfs/dbraw/zinc/81/79/54/648817954.db2.gz SQSGCKGBIJFKJX-CYBMUJFWSA-N 2 2 280.372 0.348 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H]2C[C@H]3COC[C@@H]3O2)CC1 ZINC000930066621 648818123 /nfs/dbraw/zinc/81/81/23/648818123.db2.gz HAVXREWTZQKQCO-IHRRRGAJSA-N 2 2 292.383 0.346 20 0 CCADLP Cc1[nH]c(C[NH2+][C@H](CO)[C@@H]2CCCOC2)c(C)[nH+]1 ZINC000930721222 648894626 /nfs/dbraw/zinc/89/46/26/648894626.db2.gz XENYJOSQFGLALY-DGCLKSJQSA-N 2 2 253.346 0.904 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933745237 649141432 /nfs/dbraw/zinc/14/14/32/649141432.db2.gz MHRIEAMJLSIPRR-UHIISALHSA-N 2 2 251.374 0.537 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933745237 649141433 /nfs/dbraw/zinc/14/14/33/649141433.db2.gz MHRIEAMJLSIPRR-UHIISALHSA-N 2 2 251.374 0.537 20 0 CCADLP C[C@H](C(=O)NC1CC1)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933745237 649141435 /nfs/dbraw/zinc/14/14/35/649141435.db2.gz MHRIEAMJLSIPRR-UHIISALHSA-N 2 2 251.374 0.537 20 0 CCADLP C[C@H](C(=O)NC1CC1)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933745237 649141436 /nfs/dbraw/zinc/14/14/36/649141436.db2.gz MHRIEAMJLSIPRR-UHIISALHSA-N 2 2 251.374 0.537 20 0 CCADLP C[C@H](O)C[N@@H+]1CCC[C@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000948886586 649399807 /nfs/dbraw/zinc/39/98/07/649399807.db2.gz OXTQWJYNOJRHHK-STQMWFEESA-N 2 2 294.399 0.646 20 0 CCADLP C[C@H](O)C[N@H+]1CCC[C@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000948886586 649399810 /nfs/dbraw/zinc/39/98/10/649399810.db2.gz OXTQWJYNOJRHHK-STQMWFEESA-N 2 2 294.399 0.646 20 0 CCADLP CNC(=O)c1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000078357475 649472492 /nfs/dbraw/zinc/47/24/92/649472492.db2.gz XPSWWRZCVSBGBN-OAHLLOKOSA-N 2 2 291.395 0.593 20 0 CCADLP O=C([C@@H]1CCC[C@H]2CCC[N@@H+]21)N1CC[NH+](CCO)CC1 ZINC000951627895 649552288 /nfs/dbraw/zinc/55/22/88/649552288.db2.gz BHWJSVGRESRAMZ-KBPBESRZSA-N 2 2 281.400 0.140 20 0 CCADLP O=C([C@@H]1CCC[C@H]2CCC[N@H+]21)N1CC[NH+](CCO)CC1 ZINC000951627895 649552295 /nfs/dbraw/zinc/55/22/95/649552295.db2.gz BHWJSVGRESRAMZ-KBPBESRZSA-N 2 2 281.400 0.140 20 0 CCADLP C[C@@H](F)CC[NH+]1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000957899984 649769054 /nfs/dbraw/zinc/76/90/54/649769054.db2.gz NDGKMRMAENLBKX-GFCCVEGCSA-N 2 2 268.336 0.775 20 0 CCADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1cccc(N)[nH+]1 ZINC001164927222 721855105 /nfs/dbraw/zinc/85/51/05/721855105.db2.gz KCYOFZOEWYEJOU-STQMWFEESA-N 2 2 275.400 0.878 20 0 CCADLP CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1cccc(N)[nH+]1 ZINC001164927222 721855108 /nfs/dbraw/zinc/85/51/08/721855108.db2.gz KCYOFZOEWYEJOU-STQMWFEESA-N 2 2 275.400 0.878 20 0 CCADLP CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1cccc(N)[nH+]1 ZINC001164927222 721855110 /nfs/dbraw/zinc/85/51/10/721855110.db2.gz KCYOFZOEWYEJOU-STQMWFEESA-N 2 2 275.400 0.878 20 0 CCADLP COCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001230347959 805596052 /nfs/dbraw/zinc/59/60/52/805596052.db2.gz OTBCUQDKYHFZAE-ZIAGYGMSSA-N 2 2 294.399 0.937 20 0 CCADLP C[N@@H+]1CCC[C@H](C[NH+]2CCO[C@@H]3C[C@H](CO)C[C@@H]32)C1 ZINC001208608932 790429902 /nfs/dbraw/zinc/42/99/02/790429902.db2.gz XMFRHKJLIFSIQD-LJISPDSOSA-N 2 2 268.401 0.800 20 0 CCADLP C[N@H+]1CCC[C@H](C[NH+]2CCO[C@@H]3C[C@H](CO)C[C@@H]32)C1 ZINC001208608932 790429907 /nfs/dbraw/zinc/42/99/07/790429907.db2.gz XMFRHKJLIFSIQD-LJISPDSOSA-N 2 2 268.401 0.800 20 0 CCADLP C[NH+]1CCC[C@H](C[N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@@H]32)C1 ZINC001208608932 790429916 /nfs/dbraw/zinc/42/99/16/790429916.db2.gz XMFRHKJLIFSIQD-LJISPDSOSA-N 2 2 268.401 0.800 20 0 CCADLP C[NH+]1CCC[C@H](C[N@H+]2CCO[C@@H]3C[C@H](CO)C[C@@H]32)C1 ZINC001208608932 790429923 /nfs/dbraw/zinc/42/99/23/790429923.db2.gz XMFRHKJLIFSIQD-LJISPDSOSA-N 2 2 268.401 0.800 20 0 CCADLP Cn1nccc1CC[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167346292 790933272 /nfs/dbraw/zinc/93/32/72/790933272.db2.gz LGKWIWJJMVURRC-UHFFFAOYSA-N 2 2 290.371 0.024 20 0 CCADLP C[C@H]1CC[C@H](C[NH2+]CCCNC(=O)Cc2c[nH]c[nH+]2)O1 ZINC001167346634 790936394 /nfs/dbraw/zinc/93/63/94/790936394.db2.gz RCBCNNUZYNRAPG-WCQYABFASA-N 2 2 280.372 0.616 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]C[C@H]1CCCOC1 ZINC001167355328 790956371 /nfs/dbraw/zinc/95/63/71/790956371.db2.gz BQDJQSKQVDNMMB-GFCCVEGCSA-N 2 2 280.372 0.475 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]Cc1ccc(F)cn1 ZINC001167355455 790956971 /nfs/dbraw/zinc/95/69/71/790956971.db2.gz JDWRAUGGNMOMRH-UHFFFAOYSA-N 2 2 291.330 0.782 20 0 CCADLP Cc1cc2[nH+]ccn2cc1-n1cnc(C[NH3+])cc1=N ZINC001167358063 790963027 /nfs/dbraw/zinc/96/30/27/790963027.db2.gz JJLCZXUFQLFNOL-UHFFFAOYSA-N 2 2 254.297 0.767 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCO[C@@H]2C[N@H+](CC3CC3)C[C@@H]21 ZINC001083207523 790990535 /nfs/dbraw/zinc/99/05/35/790990535.db2.gz AHMPHVXNHZRHAW-UONOGXRCSA-N 2 2 290.367 0.274 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCO[C@@H]2C[N@@H+](CC3CC3)C[C@@H]21 ZINC001083207523 790990538 /nfs/dbraw/zinc/99/05/38/790990538.db2.gz AHMPHVXNHZRHAW-UONOGXRCSA-N 2 2 290.367 0.274 20 0 CCADLP C[C@H](CC(=O)NCCC[NH2+]CCF)n1cc[nH+]c1 ZINC001167428995 791062960 /nfs/dbraw/zinc/06/29/60/791062960.db2.gz OOKPSSARHXQUJI-LLVKDONJSA-N 2 2 256.325 0.900 20 0 CCADLP CC[N@H+](C)CCOCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001277529076 805813278 /nfs/dbraw/zinc/81/32/78/805813278.db2.gz UQLCMDPKMFSKEK-UHFFFAOYSA-N 2 2 254.334 0.037 20 0 CCADLP CC[N@@H+](C)CCOCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001277529076 805813289 /nfs/dbraw/zinc/81/32/89/805813289.db2.gz UQLCMDPKMFSKEK-UHFFFAOYSA-N 2 2 254.334 0.037 20 0 CCADLP CC[N@H+](C)C1CC[NH+](Cc2c[nH]c(=O)[nH]c2=O)CC1 ZINC001231706249 805840690 /nfs/dbraw/zinc/84/06/90/805840690.db2.gz HLXOMOUDIYJWEK-UHFFFAOYSA-N 2 2 266.345 0.804 20 0 CCADLP CC[N@@H+](C)C1CC[NH+](Cc2c[nH]c(=O)[nH]c2=O)CC1 ZINC001231706249 805840700 /nfs/dbraw/zinc/84/07/00/805840700.db2.gz HLXOMOUDIYJWEK-UHFFFAOYSA-N 2 2 266.345 0.804 20 0 CCADLP O=c1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)n[nH]1 ZINC001232022275 805881898 /nfs/dbraw/zinc/88/18/98/805881898.db2.gz NYSJCUBLUBIKAK-UHFFFAOYSA-N 2 2 271.324 0.899 20 0 CCADLP C[NH+]1CCN(C2CC[NH+](Cc3cncc(O)c3)CC2)CC1 ZINC001232043464 805890812 /nfs/dbraw/zinc/89/08/12/805890812.db2.gz RUCQWFJBISIUPF-UHFFFAOYSA-N 2 2 290.411 0.999 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001277610891 805901016 /nfs/dbraw/zinc/90/10/16/805901016.db2.gz QUNGQLRQWVPBDW-UHFFFAOYSA-N 2 2 269.389 0.260 20 0 CCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H](C[NH2+]CCO)C1CC1 ZINC001277663388 805936358 /nfs/dbraw/zinc/93/63/58/805936358.db2.gz WSKGTBSUXBFVQH-YRGRVCCFSA-N 2 2 292.383 0.332 20 0 CCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H](C[NH2+]CCO)C1CC1 ZINC001277663388 805936363 /nfs/dbraw/zinc/93/63/63/805936363.db2.gz WSKGTBSUXBFVQH-YRGRVCCFSA-N 2 2 292.383 0.332 20 0 CCADLP Cc1nonc1C[NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001266724144 791190112 /nfs/dbraw/zinc/19/01/12/791190112.db2.gz FOWWYFXIOIKQQS-UHFFFAOYSA-N 2 2 295.387 0.410 20 0 CCADLP CCC[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001266731048 791195962 /nfs/dbraw/zinc/19/59/62/791195962.db2.gz PFNOWAPNQRVJSC-GHMZBOCLSA-N 2 2 250.346 0.971 20 0 CCADLP CCC[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001266731048 791195968 /nfs/dbraw/zinc/19/59/68/791195968.db2.gz PFNOWAPNQRVJSC-GHMZBOCLSA-N 2 2 250.346 0.971 20 0 CCADLP C[NH+]1CCN(C2CN(Cc3cccc4[nH+]ccn43)C2)CC1 ZINC001233364219 806046068 /nfs/dbraw/zinc/04/60/68/806046068.db2.gz XVMPLNUASRVRJH-UHFFFAOYSA-N 2 2 285.395 0.766 20 0 CCADLP [NH3+]C[C@@H]1CCCCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000891820032 791333606 /nfs/dbraw/zinc/33/36/06/791333606.db2.gz VFSXUPLCJJNJOD-NEPJUHHUSA-N 2 2 277.372 0.721 20 0 CCADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]CCCF ZINC001266943619 791381379 /nfs/dbraw/zinc/38/13/79/791381379.db2.gz ZTBHXOCZGLMQCU-JTQLQIEISA-N 2 2 256.325 0.796 20 0 CCADLP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]CCCF ZINC001266943619 791381382 /nfs/dbraw/zinc/38/13/82/791381382.db2.gz ZTBHXOCZGLMQCU-JTQLQIEISA-N 2 2 256.325 0.796 20 0 CCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@H]([NH2+]CCCF)C1 ZINC001267012746 791444560 /nfs/dbraw/zinc/44/45/60/791444560.db2.gz CKFFYHZQAVLXJQ-OLZOCXBDSA-N 2 2 294.374 0.996 20 0 CCADLP Cc1nc(NC[C@H]2CCN(C(=O)CC[NH+](C)C)C2)cc[nH+]1 ZINC001098571011 791650989 /nfs/dbraw/zinc/65/09/89/791650989.db2.gz PBLKOHJOXUDIAH-CYBMUJFWSA-N 2 2 291.399 0.997 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001234010408 806168089 /nfs/dbraw/zinc/16/80/89/806168089.db2.gz CYAATTTYOUOXCV-QWHCGFSZSA-N 2 2 294.399 0.910 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001234010408 806168096 /nfs/dbraw/zinc/16/80/96/806168096.db2.gz CYAATTTYOUOXCV-QWHCGFSZSA-N 2 2 294.399 0.910 20 0 CCADLP COCOc1cccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235060277 806361909 /nfs/dbraw/zinc/36/19/09/806361909.db2.gz GQLPGCIHHOMTAP-MRXNPFEDSA-N 2 2 291.395 0.807 20 0 CCADLP COCOc1cccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235060277 806361916 /nfs/dbraw/zinc/36/19/16/806361916.db2.gz GQLPGCIHHOMTAP-MRXNPFEDSA-N 2 2 291.395 0.807 20 0 CCADLP Cc1nc(C)c(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)s1 ZINC001235055159 806356567 /nfs/dbraw/zinc/35/65/67/806356567.db2.gz ZNIKGKLNXNEQOP-CYBMUJFWSA-N 2 2 266.414 0.897 20 0 CCADLP Cc1nc(C)c(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)s1 ZINC001235055159 806356577 /nfs/dbraw/zinc/35/65/77/806356577.db2.gz ZNIKGKLNXNEQOP-CYBMUJFWSA-N 2 2 266.414 0.897 20 0 CCADLP CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001235140821 806377172 /nfs/dbraw/zinc/37/71/72/806377172.db2.gz HCUDVOBZSZTDFL-LBPRGKRZSA-N 2 2 250.346 0.895 20 0 CCADLP CC[N@H+]1CC[C@H]1CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001235140821 806377178 /nfs/dbraw/zinc/37/71/78/806377178.db2.gz HCUDVOBZSZTDFL-LBPRGKRZSA-N 2 2 250.346 0.895 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1C[C@@H](C(=O)NC2CCCC2)C[C@H]2OCC[C@H]21 ZINC001235475187 806428567 /nfs/dbraw/zinc/42/85/67/806428567.db2.gz UYFZATKGHLHTKJ-DDHJSBNISA-N 2 2 295.427 0.872 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1C[C@@H](C(=O)NC2CCCC2)C[C@H]2OCC[C@H]21 ZINC001235475187 806428573 /nfs/dbraw/zinc/42/85/73/806428573.db2.gz UYFZATKGHLHTKJ-DDHJSBNISA-N 2 2 295.427 0.872 20 0 CCADLP C[NH+]1CCC(CC[N@@H+]2CCn3cnc(CO)c3C2)CC1 ZINC001235504535 806438747 /nfs/dbraw/zinc/43/87/47/806438747.db2.gz NRBCGJUEHVVOKF-UHFFFAOYSA-N 2 2 278.400 0.923 20 0 CCADLP C[NH+]1CCC(CC[N@H+]2CCn3cnc(CO)c3C2)CC1 ZINC001235504535 806438753 /nfs/dbraw/zinc/43/87/53/806438753.db2.gz NRBCGJUEHVVOKF-UHFFFAOYSA-N 2 2 278.400 0.923 20 0 CCADLP CCO[C@H]1CC[N@H+](C[C@@H](C)[NH3+])[C@H]1Cc1cnn(C)c1 ZINC001235573025 806458910 /nfs/dbraw/zinc/45/89/10/806458910.db2.gz NGWXATDLSVBSSA-XBFCOCLRSA-N 2 2 266.389 0.789 20 0 CCADLP CCO[C@H]1CC[N@@H+](C[C@@H](C)[NH3+])[C@H]1Cc1cnn(C)c1 ZINC001235573025 806458915 /nfs/dbraw/zinc/45/89/15/806458915.db2.gz NGWXATDLSVBSSA-XBFCOCLRSA-N 2 2 266.389 0.789 20 0 CCADLP C[C@@H]([NH3+])C[NH+]1CCC2(CN(c3cccnc3)C2=O)CC1 ZINC001235653798 806483427 /nfs/dbraw/zinc/48/34/27/806483427.db2.gz TYDVMVSZAHSJGA-GFCCVEGCSA-N 2 2 274.368 0.858 20 0 CCADLP CC(=O)N1CCC([N@H+](C)C[C@@H]2C[NH2+]C(C)(C)O2)CC1 ZINC001235834841 806507052 /nfs/dbraw/zinc/50/70/52/806507052.db2.gz PIJLNDBKYIYBPV-ZDUSSCGKSA-N 2 2 269.389 0.654 20 0 CCADLP CC(=O)N1CCC([N@@H+](C)C[C@@H]2C[NH2+]C(C)(C)O2)CC1 ZINC001235834841 806507056 /nfs/dbraw/zinc/50/70/56/806507056.db2.gz PIJLNDBKYIYBPV-ZDUSSCGKSA-N 2 2 269.389 0.654 20 0 CCADLP [NH3+][C@@H]1NC(CN2CC[NH2+]C[C@@H]2Cc2ccccc2)=CS1 ZINC001235847416 806509847 /nfs/dbraw/zinc/50/98/47/806509847.db2.gz HYNQLHVARLTTAL-LSDHHAIUSA-N 2 2 290.436 0.923 20 0 CCADLP CC(C)n1nccc1C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235991186 806524223 /nfs/dbraw/zinc/52/42/23/806524223.db2.gz CZRAAGQEKZVTTE-ONXXMXGDSA-N 2 2 264.373 0.870 20 0 CCADLP CC(C)n1nccc1C[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235991186 806524226 /nfs/dbraw/zinc/52/42/26/806524226.db2.gz CZRAAGQEKZVTTE-ONXXMXGDSA-N 2 2 264.373 0.870 20 0 CCADLP Cc1nn(C)c(Cl)c1C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235992578 806524464 /nfs/dbraw/zinc/52/44/64/806524464.db2.gz KFLLKYRUFRZPAW-DHHPTOIESA-N 2 2 284.791 0.787 20 0 CCADLP Cc1nn(C)c(Cl)c1C[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235992578 806524468 /nfs/dbraw/zinc/52/44/68/806524468.db2.gz KFLLKYRUFRZPAW-DHHPTOIESA-N 2 2 284.791 0.787 20 0 CCADLP COC(=O)[C@@H]1CN(Cc2cccc3[nH+]ccn32)C[C@H]1[NH3+] ZINC001236347723 806578903 /nfs/dbraw/zinc/57/89/03/806578903.db2.gz BXATXKKUBWOYQS-VXGBXAGGSA-N 2 2 274.324 0.266 20 0 CCADLP C[C@H]([NH3+])C[N@H+](C)Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001236895269 806617365 /nfs/dbraw/zinc/61/73/65/806617365.db2.gz OFOBHGGEGMPBFE-AWEZNQCLSA-N 3 2 276.428 0.871 20 0 CCADLP C[C@H]([NH3+])C[N@@H+](C)Cc1cccc(CN2CC[NH2+]CC2)c1 ZINC001236895269 806617369 /nfs/dbraw/zinc/61/73/69/806617369.db2.gz OFOBHGGEGMPBFE-AWEZNQCLSA-N 3 2 276.428 0.871 20 0 CCADLP CCOCC[C@@H](O)C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC001120573610 798872137 /nfs/dbraw/zinc/87/21/37/798872137.db2.gz RMUXUTHASGXIAN-QWHCGFSZSA-N 2 2 255.362 0.896 20 0 CCADLP C[NH+](C)CCCOC1CCN(c2cc(N)nc[nH+]2)CC1 ZINC001120821163 798942108 /nfs/dbraw/zinc/94/21/08/798942108.db2.gz HXAGWFILVXEDQT-UHFFFAOYSA-N 2 2 279.388 0.996 20 0 CCADLP C[C@@H](O)CNc1cc(NCCC[NH+](C)C)[nH+]cn1 ZINC001120872733 798952530 /nfs/dbraw/zinc/95/25/30/798952530.db2.gz HOUIAKRCQPYXCW-SNVBAGLBSA-N 2 2 253.350 0.633 20 0 CCADLP C[C@@H](O)CNc1cc(NCCC[NH+](C)C)nc[nH+]1 ZINC001120872733 798952538 /nfs/dbraw/zinc/95/25/38/798952538.db2.gz HOUIAKRCQPYXCW-SNVBAGLBSA-N 2 2 253.350 0.633 20 0 CCADLP CCc1n[nH]cc1C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001237651942 806705270 /nfs/dbraw/zinc/70/52/70/806705270.db2.gz NSJSRSZABDVRSP-UHFFFAOYSA-N 2 2 265.405 0.651 20 0 CCADLP CC[NH+](CC)CC(=O)NC[C@@H](CO)Nc1cc[nH+]c(C)n1 ZINC001121657905 799062943 /nfs/dbraw/zinc/06/29/43/799062943.db2.gz FSXSLGPJYXHGDL-LBPRGKRZSA-N 2 2 295.387 0.016 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001121970524 799110314 /nfs/dbraw/zinc/11/03/14/799110314.db2.gz WWKAZGQRDFTJPY-FRRDWIJNSA-N 2 2 262.357 0.587 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC001122123180 799149724 /nfs/dbraw/zinc/14/97/24/799149724.db2.gz PEDARGUFDHFIRE-MPKXVKKWSA-N 2 2 262.357 0.989 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC001122123180 799149729 /nfs/dbraw/zinc/14/97/29/799149729.db2.gz PEDARGUFDHFIRE-MPKXVKKWSA-N 2 2 262.357 0.989 20 0 CCADLP C[NH2+]CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC001122174670 799161122 /nfs/dbraw/zinc/16/11/22/799161122.db2.gz YKJFZHONMDGYKG-GHMZBOCLSA-N 2 2 250.346 0.970 20 0 CCADLP C[NH2+]CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC001122174670 799161126 /nfs/dbraw/zinc/16/11/26/799161126.db2.gz YKJFZHONMDGYKG-GHMZBOCLSA-N 2 2 250.346 0.970 20 0 CCADLP C[C@H](C(=O)NCCCCCN1CC[NH2+]CC1)n1cc[nH+]c1 ZINC001122195583 799167418 /nfs/dbraw/zinc/16/74/18/799167418.db2.gz JTNMOWSCHZZQHN-CQSZACIVSA-N 2 2 293.415 0.636 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC001122238824 799177057 /nfs/dbraw/zinc/17/70/57/799177057.db2.gz IVDOKESCPQYJOV-STQMWFEESA-N 3 2 268.405 0.043 20 0 CCADLP COC[C@H]1C[NH2+]CCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001122333347 799202300 /nfs/dbraw/zinc/20/23/00/799202300.db2.gz YMZGJILBGYXCDK-NWDGAFQWSA-N 2 2 266.345 0.281 20 0 CCADLP [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001122361957 799212317 /nfs/dbraw/zinc/21/23/17/799212317.db2.gz LQIORBXFSDCFBY-BXUZGUMPSA-N 2 2 256.309 0.693 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C1([NH3+])CCCC1 ZINC001122526062 799256795 /nfs/dbraw/zinc/25/67/95/799256795.db2.gz POPKDONPNDSTHG-GFCCVEGCSA-N 2 2 269.389 0.437 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC001122615076 799275086 /nfs/dbraw/zinc/27/50/86/799275086.db2.gz IFGAMJKMYGVOOP-OCCSQVGLSA-N 2 2 269.389 0.165 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NCc1coc(C[NH+](C)C)n1 ZINC001124057929 799547479 /nfs/dbraw/zinc/54/74/79/799547479.db2.gz DHMVBHBLNFOYLX-UHFFFAOYSA-N 2 2 268.361 0.693 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NCc1coc(C[NH+](C)C)n1 ZINC001124057929 799547480 /nfs/dbraw/zinc/54/74/80/799547480.db2.gz DHMVBHBLNFOYLX-UHFFFAOYSA-N 2 2 268.361 0.693 20 0 CCADLP Cn1cc(Cl)c(C[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001124877964 799641482 /nfs/dbraw/zinc/64/14/82/799641482.db2.gz JCQBADQPTWYXID-GFCCVEGCSA-N 2 2 299.806 0.374 20 0 CCADLP Cn1cc(Cl)c(C[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001124877964 799641486 /nfs/dbraw/zinc/64/14/86/799641486.db2.gz JCQBADQPTWYXID-GFCCVEGCSA-N 2 2 299.806 0.374 20 0 CCADLP CCc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)[nH]1 ZINC001124878448 799643243 /nfs/dbraw/zinc/64/32/43/799643243.db2.gz MSACGZCZFBYYDB-GHMZBOCLSA-N 2 2 294.403 0.228 20 0 CCADLP CCc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)[nH]1 ZINC001124878448 799643245 /nfs/dbraw/zinc/64/32/45/799643245.db2.gz MSACGZCZFBYYDB-GHMZBOCLSA-N 2 2 294.403 0.228 20 0 CCADLP CCc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)[nH]1 ZINC001124878451 799643556 /nfs/dbraw/zinc/64/35/56/799643556.db2.gz MSACGZCZFBYYDB-MNOVXSKESA-N 2 2 294.403 0.228 20 0 CCADLP CCc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)[nH]1 ZINC001124878451 799643562 /nfs/dbraw/zinc/64/35/62/799643562.db2.gz MSACGZCZFBYYDB-MNOVXSKESA-N 2 2 294.403 0.228 20 0 CCADLP C[NH+]1CCN(C2CC[NH+](Cc3cncnc3)CC2)CC1 ZINC001137667163 799681370 /nfs/dbraw/zinc/68/13/70/799681370.db2.gz HEPSVPXWIHNLPP-UHFFFAOYSA-N 2 2 275.400 0.688 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC001137894718 799693578 /nfs/dbraw/zinc/69/35/78/799693578.db2.gz ZFVWSRBFUFIWJB-MNOVXSKESA-N 2 2 250.346 0.812 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC001137894718 799693582 /nfs/dbraw/zinc/69/35/82/799693582.db2.gz ZFVWSRBFUFIWJB-MNOVXSKESA-N 2 2 250.346 0.812 20 0 CCADLP CC[N@H+](CCn1cc[nH+]c1)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001138471017 799734707 /nfs/dbraw/zinc/73/47/07/799734707.db2.gz ULYIWQFOTWAFSP-UHFFFAOYSA-N 2 2 277.328 0.915 20 0 CCADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1c(C)[nH]c(=O)[nH]c1=O ZINC001138471017 799734715 /nfs/dbraw/zinc/73/47/15/799734715.db2.gz ULYIWQFOTWAFSP-UHFFFAOYSA-N 2 2 277.328 0.915 20 0 CCADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3c(O)nc[nH]c3=O)C[C@@H]2C1 ZINC001140470183 799913082 /nfs/dbraw/zinc/91/30/82/799913082.db2.gz BYVDLUXFFYDIOK-ZJUUUORDSA-N 2 2 264.329 0.271 20 0 CCADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3c(O)nc[nH]c3=O)C[C@@H]2C1 ZINC001140470183 799913090 /nfs/dbraw/zinc/91/30/90/799913090.db2.gz BYVDLUXFFYDIOK-ZJUUUORDSA-N 2 2 264.329 0.271 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3c(O)nc[nH]c3=O)C[C@@H]2C1 ZINC001140470183 799913096 /nfs/dbraw/zinc/91/30/96/799913096.db2.gz BYVDLUXFFYDIOK-ZJUUUORDSA-N 2 2 264.329 0.271 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3c(O)nc[nH]c3=O)C[C@@H]2C1 ZINC001140470183 799913102 /nfs/dbraw/zinc/91/31/02/799913102.db2.gz BYVDLUXFFYDIOK-ZJUUUORDSA-N 2 2 264.329 0.271 20 0 CCADLP C[NH+]1CC2(CN(C(=O)C[N@@H+]3CCc4sccc4C3)C2)C1 ZINC001142223323 800100385 /nfs/dbraw/zinc/10/03/85/800100385.db2.gz LUHUGNOEQCWYRH-UHFFFAOYSA-N 2 2 291.420 0.880 20 0 CCADLP C[NH+]1CC2(CN(C(=O)C[N@H+]3CCc4sccc4C3)C2)C1 ZINC001142223323 800100392 /nfs/dbraw/zinc/10/03/92/800100392.db2.gz LUHUGNOEQCWYRH-UHFFFAOYSA-N 2 2 291.420 0.880 20 0 CCADLP O=C(CC[NH+]1CCCCC1)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001142923241 800174317 /nfs/dbraw/zinc/17/43/17/800174317.db2.gz QDOVCMVZVFKSCZ-CYBMUJFWSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(CC[NH+]1CCCCC1)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001142923241 800174321 /nfs/dbraw/zinc/17/43/21/800174321.db2.gz QDOVCMVZVFKSCZ-CYBMUJFWSA-N 2 2 280.372 0.305 20 0 CCADLP Cc1cccc(C)c1S(=O)(=O)NCC[NH2+]CC[NH3+] ZINC001238839332 806811956 /nfs/dbraw/zinc/81/19/56/806811956.db2.gz PNNXFEBXRRDCTB-UHFFFAOYSA-N 2 2 271.386 0.130 20 0 CCADLP CCC[N@@H+]1CCCO[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001149633062 800285943 /nfs/dbraw/zinc/28/59/43/800285943.db2.gz ZJOIGQXPZLZIMF-CYBMUJFWSA-N 2 2 294.399 0.959 20 0 CCADLP CCC[N@H+]1CCCO[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001149633062 800285947 /nfs/dbraw/zinc/28/59/47/800285947.db2.gz ZJOIGQXPZLZIMF-CYBMUJFWSA-N 2 2 294.399 0.959 20 0 CCADLP CCCC[N@@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150379627 800333973 /nfs/dbraw/zinc/33/39/73/800333973.db2.gz IJFWMCYLPMKVRC-AWEZNQCLSA-N 2 2 294.399 0.959 20 0 CCADLP CCCC[N@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150379627 800333980 /nfs/dbraw/zinc/33/39/80/800333980.db2.gz IJFWMCYLPMKVRC-AWEZNQCLSA-N 2 2 294.399 0.959 20 0 CCADLP CC[N@@H+]1CCCO[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001150824346 800369595 /nfs/dbraw/zinc/36/95/95/800369595.db2.gz JZQCVMZWQCTKOG-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP CC[N@H+]1CCCO[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001150824346 800369601 /nfs/dbraw/zinc/36/96/01/800369601.db2.gz JZQCVMZWQCTKOG-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2C)c(C)o1 ZINC001151122997 800403042 /nfs/dbraw/zinc/40/30/42/800403042.db2.gz YLFHDJJUFBKXIH-UHFFFAOYSA-N 2 2 291.355 0.702 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccon1 ZINC001152451870 800524798 /nfs/dbraw/zinc/52/47/98/800524798.db2.gz KNIUNACVXVMQEB-ZDUSSCGKSA-N 2 2 280.372 0.755 20 0 CCADLP CC1(C)CO[C@@H](C[NH2+]CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001153495448 800635657 /nfs/dbraw/zinc/63/56/57/800635657.db2.gz JRKZKOPPMITBGX-GFCCVEGCSA-N 2 2 280.372 0.404 20 0 CCADLP CC1CC(C[NH2+]CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001153495296 800635885 /nfs/dbraw/zinc/63/58/85/800635885.db2.gz GZTIDJAHIGEPKU-UHFFFAOYSA-N 2 2 250.346 0.635 20 0 CCADLP CC[N@H+](CCO)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001154092865 800719077 /nfs/dbraw/zinc/71/90/77/800719077.db2.gz OSPIKDMNVTZZAE-OLZOCXBDSA-N 2 2 294.399 0.264 20 0 CCADLP CC[N@@H+](CCO)[C@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001154092865 800719080 /nfs/dbraw/zinc/71/90/80/800719080.db2.gz OSPIKDMNVTZZAE-OLZOCXBDSA-N 2 2 294.399 0.264 20 0 CCADLP Cc1cc[nH+]c(NC[C@]23C[NH2+]C[C@H]2COC3)c1C(N)=O ZINC001155517650 800998252 /nfs/dbraw/zinc/99/82/52/800998252.db2.gz ZYMWZPFYZWAUOS-HZMBPMFUSA-N 2 2 276.340 0.137 20 0 CCADLP Nc1[nH+]c(NC[C@@]23C[NH2+][C@@H](CO2)C3)ccc1Cl ZINC001155545557 801003855 /nfs/dbraw/zinc/00/38/55/801003855.db2.gz VAVGQSAQSJBWND-RDDDGLTNSA-N 2 2 254.721 0.860 20 0 CCADLP O=C(Oc1ccccc1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239335060 806888009 /nfs/dbraw/zinc/88/80/09/806888009.db2.gz ZFANKKJDOWRENH-UHFFFAOYSA-N 2 2 292.383 0.270 20 0 CCADLP CC[N@H+](CCOC)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001156618094 801197510 /nfs/dbraw/zinc/19/75/10/801197510.db2.gz YATPCQJBMHTXPB-LLVKDONJSA-N 2 2 282.388 0.734 20 0 CCADLP CC[N@@H+](CCOC)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001156618094 801197515 /nfs/dbraw/zinc/19/75/15/801197515.db2.gz YATPCQJBMHTXPB-LLVKDONJSA-N 2 2 282.388 0.734 20 0 CCADLP CC[C@H](C[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1)OC ZINC001157264780 801334866 /nfs/dbraw/zinc/33/48/66/801334866.db2.gz JYOOADQVGKYNSQ-GFCCVEGCSA-N 2 2 282.388 0.863 20 0 CCADLP Cn1nccc1C[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157257819 801334918 /nfs/dbraw/zinc/33/49/18/801334918.db2.gz XSZJYJBBKSUCGA-UHFFFAOYSA-N 2 2 290.371 0.372 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCCC[NH2+]CC[C@@H]1CCOC1 ZINC001157264525 801335390 /nfs/dbraw/zinc/33/53/90/801335390.db2.gz IKZKCDSSGSURBK-CYBMUJFWSA-N 2 2 294.399 0.865 20 0 CCADLP c1cn(-c2cc[nH+]c(N3CCOCC3)n2)c2c1C[NH2+]CC2 ZINC001157449486 801386534 /nfs/dbraw/zinc/38/65/34/801386534.db2.gz PNIDUXBTUKWFTK-UHFFFAOYSA-N 2 2 285.351 0.750 20 0 CCADLP CN(C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C1CC(F)(F)C1 ZINC001157564466 801421633 /nfs/dbraw/zinc/42/16/33/801421633.db2.gz KVXFYNJOKYTIKS-VIFPVBQESA-N 2 2 258.272 0.536 20 0 CCADLP [NH3+]C[C@]1(F)CCCN(C(=O)c2cnc3n2CC[NH2+]C3)CC1 ZINC001157774762 801480114 /nfs/dbraw/zinc/48/01/14/801480114.db2.gz ZDUWRVXSWFMCBX-AWEZNQCLSA-N 2 2 295.362 0.279 20 0 CCADLP C[C@@H]1CCCCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001157780939 801481981 /nfs/dbraw/zinc/48/19/81/801481981.db2.gz KEMRLYVQOJXSLG-BZPMIXESSA-N 2 2 251.374 0.587 20 0 CCADLP C[C@@]1(O)CCN(C(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)C[C@@H]1F ZINC001157900755 801513459 /nfs/dbraw/zinc/51/34/59/801513459.db2.gz QPXYLQVSPAURAQ-KCQAQPDRSA-N 2 2 295.358 0.580 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@](C)(CO)CC1 ZINC001157900905 801513513 /nfs/dbraw/zinc/51/35/13/801513513.db2.gz VAJICFHRWHYDAQ-ZFWWWQNUSA-N 2 2 294.399 0.301 20 0 CCADLP COc1nccnc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001157910675 801517769 /nfs/dbraw/zinc/51/77/69/801517769.db2.gz QUHHCRRVASAFEH-UHFFFAOYSA-N 2 2 250.306 0.079 20 0 CCADLP CC1(C)[NH2+][C@H](C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)CO1 ZINC001157968288 801543801 /nfs/dbraw/zinc/54/38/01/801543801.db2.gz HQEIDBDBEUZZCJ-UONOGXRCSA-N 2 2 289.379 0.884 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)NCCC[NH2+]CCO)ccn12 ZINC001158062431 801561810 /nfs/dbraw/zinc/56/18/10/801561810.db2.gz WPHPZKVVFHAOGA-UHFFFAOYSA-N 2 2 276.340 0.345 20 0 CCADLP [NH3+]CCc1cnn(-c2cc(-n3cc[nH+]c3)ccn2)c1 ZINC001158105817 801571074 /nfs/dbraw/zinc/57/10/74/801571074.db2.gz QAUGVTWPSCNQFD-UHFFFAOYSA-N 2 2 254.297 0.954 20 0 CCADLP O=C(N1C[C@H]2[C@H](CC2(F)F)C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001158192602 801587754 /nfs/dbraw/zinc/58/77/54/801587754.db2.gz AJGAFSXFGQDACQ-WDCWCFNPSA-N 2 2 271.311 0.052 20 0 CCADLP Nc1cc(Cl)nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1 ZINC001158203970 801592563 /nfs/dbraw/zinc/59/25/63/801592563.db2.gz KZWQLLNLAZKPDO-MRVPVSSYSA-N 2 2 267.720 0.365 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nccc(NC2CC2)n1 ZINC001158204381 801593151 /nfs/dbraw/zinc/59/31/51/801593151.db2.gz ZPECQLOYRRFJCO-SECBINFHSA-N 2 2 274.328 0.099 20 0 CCADLP Cc1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc(C2CC2)n1 ZINC001158209596 801597308 /nfs/dbraw/zinc/59/73/08/801597308.db2.gz ZGGNPQLNAAWGCL-LLVKDONJSA-N 2 2 273.340 0.710 20 0 CCADLP C[N@@H+]1CCc2nc(C(=O)N3CC[C@@H]4[NH2+]CC[C@H]43)sc2C1 ZINC001158232019 801600157 /nfs/dbraw/zinc/60/01/57/801600157.db2.gz YHVLREQNUBAXNB-GXSJLCMTSA-N 2 2 292.408 0.707 20 0 CCADLP C[N@H+]1CCc2nc(C(=O)N3CC[C@@H]4[NH2+]CC[C@H]43)sc2C1 ZINC001158232019 801600162 /nfs/dbraw/zinc/60/01/62/801600162.db2.gz YHVLREQNUBAXNB-GXSJLCMTSA-N 2 2 292.408 0.707 20 0 CCADLP NC(=O)c1cccnc1N1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158259667 801608022 /nfs/dbraw/zinc/60/80/22/801608022.db2.gz UWYROWXERHKNOK-LLVKDONJSA-N 2 2 289.383 0.182 20 0 CCADLP NC(=O)c1cccnc1N1CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158259667 801608024 /nfs/dbraw/zinc/60/80/24/801608024.db2.gz UWYROWXERHKNOK-LLVKDONJSA-N 2 2 289.383 0.182 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3ccc(F)nn3)CC2)C1 ZINC001158262785 801610056 /nfs/dbraw/zinc/61/00/56/801610056.db2.gz VRFJKANBXDJZRT-SNVBAGLBSA-N 2 2 265.336 0.618 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](C2CCN(c3ccc(F)nn3)CC2)C1 ZINC001158262785 801610059 /nfs/dbraw/zinc/61/00/59/801610059.db2.gz VRFJKANBXDJZRT-SNVBAGLBSA-N 2 2 265.336 0.618 20 0 CCADLP COc1cc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)nc(C)n1 ZINC001158262879 801610258 /nfs/dbraw/zinc/61/02/58/801610258.db2.gz WUBWKYPFXDUOBM-GFCCVEGCSA-N 2 2 291.399 0.795 20 0 CCADLP COc1cc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)nc(C)n1 ZINC001158262879 801610263 /nfs/dbraw/zinc/61/02/63/801610263.db2.gz WUBWKYPFXDUOBM-GFCCVEGCSA-N 2 2 291.399 0.795 20 0 CCADLP c1cc(N2CC[N@H+]3CC[C@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001158431722 801646747 /nfs/dbraw/zinc/64/67/47/801646747.db2.gz GFFDJMQNJHCHKA-LBPRGKRZSA-N 2 2 275.356 0.208 20 0 CCADLP c1cc(N2CC[N@@H+]3CC[C@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001158431722 801646754 /nfs/dbraw/zinc/64/67/54/801646754.db2.gz GFFDJMQNJHCHKA-LBPRGKRZSA-N 2 2 275.356 0.208 20 0 CCADLP C[NH+]1CC(CNc2nc(N3CCC([NH3+])CC3)cc[nH+]2)C1 ZINC001159219813 801775663 /nfs/dbraw/zinc/77/56/63/801775663.db2.gz NZGYVDLFKAHSQW-UHFFFAOYSA-N 3 2 276.388 0.378 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCCC[NH2+]C[C@H]1CCOC1 ZINC001159539890 801830615 /nfs/dbraw/zinc/83/06/15/801830615.db2.gz FJOUPAZWUDLFQJ-GFCCVEGCSA-N 2 2 280.372 0.475 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCCC[NH2+]C[C@H]1CCOC1 ZINC001159539890 801830622 /nfs/dbraw/zinc/83/06/22/801830622.db2.gz FJOUPAZWUDLFQJ-GFCCVEGCSA-N 2 2 280.372 0.475 20 0 CCADLP CCN(CC)c1cc(N[C@@]([NH3+])(CC)CO)nc[nH+]1 ZINC001159743178 801857708 /nfs/dbraw/zinc/85/77/08/801857708.db2.gz GHRKWVOMKXLNGE-LBPRGKRZSA-N 2 2 253.350 0.792 20 0 CCADLP [NH3+]CCC[C@H]([NH3+])Nc1cc(N2CCCCC2)[nH+]cn1 ZINC001159786618 801872220 /nfs/dbraw/zinc/87/22/20/801872220.db2.gz FRAIEKBEIPFWFQ-LLVKDONJSA-N 3 2 264.377 0.903 20 0 CCADLP COc1cnc(Cl)nc1N[C@@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160508262 801953796 /nfs/dbraw/zinc/95/37/96/801953796.db2.gz FHAHSZOYDCBLEW-ZDUSSCGKSA-N 2 2 297.790 0.974 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2CCC([NH3+])CC2)cc1 ZINC001160522470 801960410 /nfs/dbraw/zinc/96/04/10/801960410.db2.gz JJRNZINVRBHCGC-CYBMUJFWSA-N 3 2 262.357 0.208 20 0 CCADLP CC(C)C[C@H](C(=O)NCCC[NH2+]C[C@H](C)O)n1cc[nH+]c1 ZINC001160528773 801961367 /nfs/dbraw/zinc/96/13/67/801961367.db2.gz UWXFPELYIJWBKW-UONOGXRCSA-N 2 2 296.415 0.947 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC[C@@H]2COCc2ccccc2)C1 ZINC001160525731 801962384 /nfs/dbraw/zinc/96/23/84/801962384.db2.gz CUROEOFWPDQMJM-KFWWJZLASA-N 2 2 289.379 0.493 20 0 CCADLP [NH3+]C1(C(=O)N2CCC[C@@H]2Cc2ccccn2)CC[NH2+]CC1 ZINC001160543830 801967060 /nfs/dbraw/zinc/96/70/60/801967060.db2.gz CUKLHODGRJGJBT-CQSZACIVSA-N 2 2 288.395 0.696 20 0 CCADLP CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001160680714 801997947 /nfs/dbraw/zinc/99/79/47/801997947.db2.gz QPSQGXWLEJNOAA-NSHDSACASA-N 2 2 296.371 0.470 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@@H]1c1nccs1 ZINC001160687801 802001981 /nfs/dbraw/zinc/00/19/81/802001981.db2.gz IURUGWBDTQXWGS-LPEHRKFASA-N 2 2 266.370 0.353 20 0 CCADLP O=C([C@@H]1CC[NH2+]1)N1CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC001160849645 802030651 /nfs/dbraw/zinc/03/06/51/802030651.db2.gz UAGHXCKUDAOIEC-GJZGRUSLSA-N 2 2 271.364 0.790 20 0 CCADLP O=C([C@@H]1CC[NH2+]1)N1CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC001160849645 802030657 /nfs/dbraw/zinc/03/06/57/802030657.db2.gz UAGHXCKUDAOIEC-GJZGRUSLSA-N 2 2 271.364 0.790 20 0 CCADLP CCN(C(=O)[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1)C1C[NH+](C)C1 ZINC001161138063 802099413 /nfs/dbraw/zinc/09/94/13/802099413.db2.gz MFCYQSBETJSZFF-UONOGXRCSA-N 2 2 294.443 0.223 20 0 CCADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)c1ccccc1C[NH3+] ZINC001161239295 802113806 /nfs/dbraw/zinc/11/38/06/802113806.db2.gz YOZHILGIOFFVIJ-CYBMUJFWSA-N 2 2 291.351 0.075 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)c1ccccc1C[NH3+] ZINC001161239295 802113808 /nfs/dbraw/zinc/11/38/08/802113808.db2.gz YOZHILGIOFFVIJ-CYBMUJFWSA-N 2 2 291.351 0.075 20 0 CCADLP CCC[NH2+]CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001161316950 802125387 /nfs/dbraw/zinc/12/53/87/802125387.db2.gz ZUWHJUOHVQJBML-GFCCVEGCSA-N 2 2 264.373 0.951 20 0 CCADLP CCN(C(=O)c1n[nH]c2c1C[NH2+]CC2)[C@H]1CCC[NH2+]C1 ZINC001161347141 802135046 /nfs/dbraw/zinc/13/50/46/802135046.db2.gz SXJSLBYTJQCYPK-JTQLQIEISA-N 2 2 277.372 0.270 20 0 CCADLP C[C@H]([NH3+])c1ncc(C(=O)N2CC[N@@H+]3CC[C@H]3C2)s1 ZINC001161423495 802153167 /nfs/dbraw/zinc/15/31/67/802153167.db2.gz BYQUTEHCJDANFA-IUCAKERBSA-N 2 2 266.370 0.693 20 0 CCADLP C[C@H]([NH3+])c1ncc(C(=O)N2CC[N@H+]3CC[C@H]3C2)s1 ZINC001161423495 802153169 /nfs/dbraw/zinc/15/31/69/802153169.db2.gz BYQUTEHCJDANFA-IUCAKERBSA-N 2 2 266.370 0.693 20 0 CCADLP C[C@H](C(=O)NCCCC[NH+]1CCN(C)CC1)n1cc[nH+]c1 ZINC000056974239 802223457 /nfs/dbraw/zinc/22/34/57/802223457.db2.gz FNQWKBWODSDANI-CQSZACIVSA-N 2 2 293.415 0.588 20 0 CCADLP Cc1cc(-n2cnc(C[NH3+])c2)c[nH+]c1N1CCOCC1 ZINC001162302023 802311215 /nfs/dbraw/zinc/31/12/15/802311215.db2.gz HYGCVDWGWHDHRI-UHFFFAOYSA-N 2 2 273.340 0.871 20 0 CCADLP CC(C)OCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001278333426 806977547 /nfs/dbraw/zinc/97/75/47/806977547.db2.gz FBURVLCORSJBRP-UONOGXRCSA-N 2 2 294.399 0.887 20 0 CCADLP Cc1cnc(NC[C@H]([NH3+])C(=O)OC(C)(C)C)c(C[NH3+])c1 ZINC001162854294 802430532 /nfs/dbraw/zinc/43/05/32/802430532.db2.gz MCKGPAGBCJCVQB-NSHDSACASA-N 2 2 280.372 0.930 20 0 CCADLP Nc1cn2ccc(NCc3nnn4c3C[NH2+]CCC4)cc2[nH+]1 ZINC001162971577 802445885 /nfs/dbraw/zinc/44/58/85/802445885.db2.gz KXBDSFONFQQRDN-UHFFFAOYSA-N 2 2 298.354 0.613 20 0 CCADLP Cc1nc2c(ccn2C)c(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)[nH+]1 ZINC001163102580 802483405 /nfs/dbraw/zinc/48/34/05/802483405.db2.gz VKAIURSCKFTIJL-RAIGVLPGSA-N 2 2 287.367 0.923 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCCC[NH2+]CC1CC1 ZINC001163274692 802526365 /nfs/dbraw/zinc/52/63/65/802526365.db2.gz CQBCZCFGONRWAI-OAHLLOKOSA-N 2 2 297.443 0.993 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCCC[NH2+]CC1CC1 ZINC001163274692 802526368 /nfs/dbraw/zinc/52/63/68/802526368.db2.gz CQBCZCFGONRWAI-OAHLLOKOSA-N 2 2 297.443 0.993 20 0 CCADLP Cn1ccnc1C[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163588643 802572961 /nfs/dbraw/zinc/57/29/61/802572961.db2.gz LNPQRFOVMCDRSK-UHFFFAOYSA-N 2 2 290.371 0.303 20 0 CCADLP CO[C@@H](C)C[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163593333 802573810 /nfs/dbraw/zinc/57/38/10/802573810.db2.gz HJBJTTSPGYDNRL-LBPRGKRZSA-N 2 2 268.361 0.404 20 0 CCADLP Cc1[nH+]ccn1CC[NH2+]c1ccc2c(=O)[nH]cc-2[nH]1 ZINC001163920086 802632826 /nfs/dbraw/zinc/63/28/26/802632826.db2.gz QGKWUTDKGPTZDH-UHFFFAOYSA-N 2 2 257.297 0.942 20 0 CCADLP CN(Cc1ncccn1)c1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001163923802 802633487 /nfs/dbraw/zinc/63/34/87/802633487.db2.gz VAPZAECZMLWDHT-UHFFFAOYSA-N 2 2 284.367 0.918 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCF)[C@@H]1C ZINC001264728313 809674566 /nfs/dbraw/zinc/67/45/66/809674566.db2.gz HMMAUOZHZAQWRQ-NEPJUHHUSA-N 2 2 259.369 0.877 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CCF)[C@@H]1C ZINC001264728313 809674568 /nfs/dbraw/zinc/67/45/68/809674568.db2.gz HMMAUOZHZAQWRQ-NEPJUHHUSA-N 2 2 259.369 0.877 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CCF)[C@@H]1C ZINC001264728313 809674572 /nfs/dbraw/zinc/67/45/72/809674572.db2.gz HMMAUOZHZAQWRQ-NEPJUHHUSA-N 2 2 259.369 0.877 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CCF)[C@@H]1C ZINC001264728313 809674575 /nfs/dbraw/zinc/67/45/75/809674575.db2.gz HMMAUOZHZAQWRQ-NEPJUHHUSA-N 2 2 259.369 0.877 20 0 CCADLP OC[C@H]1C[C@@H](F)CN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC001164043807 802660044 /nfs/dbraw/zinc/66/00/44/802660044.db2.gz OLUHISCGTNNMGE-QWHCGFSZSA-N 2 2 294.374 0.648 20 0 CCADLP C[NH+](C)C1(CNc2ncc3c(n2)COC3)CC[NH+](C)CC1 ZINC001164212014 802687973 /nfs/dbraw/zinc/68/79/73/802687973.db2.gz VNHAHSWXNQCUJV-UHFFFAOYSA-N 2 2 291.399 0.945 20 0 CCADLP Cc1[nH+]c2c(n1-c1cc3c(cn1)NC(=O)C3)CC[NH2+]CC2 ZINC001165351741 802826650 /nfs/dbraw/zinc/82/66/50/802826650.db2.gz HNVMTMRWQPPPNM-UHFFFAOYSA-N 2 2 283.335 0.759 20 0 CCADLP CO[C@H](C)C[NH2+]CCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001166408263 802906356 /nfs/dbraw/zinc/90/63/56/802906356.db2.gz NGYACUXPOMMJQC-NEPJUHHUSA-N 2 2 294.399 0.960 20 0 CCADLP CCN(CC)c1cc(N2C[C@@H]([NH3+])[C@@H](F)C2)nc[nH+]1 ZINC001166930100 802981962 /nfs/dbraw/zinc/98/19/62/802981962.db2.gz LSFFCTZOCWLAQP-VHSXEESVSA-N 2 2 253.325 0.808 20 0 CCADLP CCc1cc(NC2(C(=O)OC)CC[NH2+]CC2)cc[nH+]1 ZINC001166966358 802999208 /nfs/dbraw/zinc/99/92/08/802999208.db2.gz CSBDHIZHOPHKPI-UHFFFAOYSA-N 2 2 263.341 0.773 20 0 CCADLP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cncc(O)c1 ZINC001276411837 803030745 /nfs/dbraw/zinc/03/07/45/803030745.db2.gz NMDNODZAEDTDLZ-GASCZTMLSA-N 2 2 290.411 0.997 20 0 CCADLP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cncc(O)c1 ZINC001276411837 803030752 /nfs/dbraw/zinc/03/07/52/803030752.db2.gz NMDNODZAEDTDLZ-GASCZTMLSA-N 2 2 290.411 0.997 20 0 CCADLP C[NH+]1CCN(C2C[NH+](Cc3ccc(O)cc3)C2)CC1 ZINC001204098515 803063658 /nfs/dbraw/zinc/06/36/58/803063658.db2.gz FGUMRCONJXODFG-UHFFFAOYSA-N 2 2 261.369 0.824 20 0 CCADLP CCOC(=O)CCCCCC[N@@H+]1C[C@@H]([NH3+])[C@H](O)C1 ZINC001205347821 803135748 /nfs/dbraw/zinc/13/57/48/803135748.db2.gz SQCYTNZQFRFOGA-VXGBXAGGSA-N 2 2 258.362 0.504 20 0 CCADLP CCOC(=O)CCCCCC[N@H+]1C[C@@H]([NH3+])[C@H](O)C1 ZINC001205347821 803135749 /nfs/dbraw/zinc/13/57/49/803135749.db2.gz SQCYTNZQFRFOGA-VXGBXAGGSA-N 2 2 258.362 0.504 20 0 CCADLP COCC[NH2+]CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001205432486 803140949 /nfs/dbraw/zinc/14/09/49/803140949.db2.gz BVQQONGIYUNKRT-UHFFFAOYSA-N 2 2 294.399 0.817 20 0 CCADLP COCC[NH2+]CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001205432486 803140953 /nfs/dbraw/zinc/14/09/53/803140953.db2.gz BVQQONGIYUNKRT-UHFFFAOYSA-N 2 2 294.399 0.817 20 0 CCADLP CC(C)Oc1ncccc1CC[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205946380 803189203 /nfs/dbraw/zinc/18/92/03/803189203.db2.gz KXPAQYGCPDIJNE-ZIAGYGMSSA-N 2 2 279.384 0.805 20 0 CCADLP CC(C)Oc1ncccc1CC[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205946380 803189207 /nfs/dbraw/zinc/18/92/07/803189207.db2.gz KXPAQYGCPDIJNE-ZIAGYGMSSA-N 2 2 279.384 0.805 20 0 CCADLP Cc1nc2cc(C)ccn2c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205953167 803190390 /nfs/dbraw/zinc/19/03/90/803190390.db2.gz MFCOMURJXGVBGG-TZMCWYRMSA-N 2 2 274.368 0.845 20 0 CCADLP Cc1nc2cc(C)ccn2c1C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205953167 803190393 /nfs/dbraw/zinc/19/03/93/803190393.db2.gz MFCOMURJXGVBGG-TZMCWYRMSA-N 2 2 274.368 0.845 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc3nccnc3c2)C[C@H]1O ZINC001205953310 803190505 /nfs/dbraw/zinc/19/05/05/803190505.db2.gz SVEALMHUKGTBJT-BXUZGUMPSA-N 2 2 258.325 0.524 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3nccnc3c2)C[C@H]1O ZINC001205953310 803190510 /nfs/dbraw/zinc/19/05/10/803190510.db2.gz SVEALMHUKGTBJT-BXUZGUMPSA-N 2 2 258.325 0.524 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](Cc2cc3c(s2)C[NH2+]CC3)C[C@H]1O ZINC001205967705 803193704 /nfs/dbraw/zinc/19/37/04/803193704.db2.gz VTDFERIFDDFOHY-VXGBXAGGSA-N 3 2 267.398 0.288 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](Cc2cc3c(s2)C[NH2+]CC3)C[C@H]1O ZINC001205967705 803193708 /nfs/dbraw/zinc/19/37/08/803193708.db2.gz VTDFERIFDDFOHY-VXGBXAGGSA-N 3 2 267.398 0.288 20 0 CCADLP COc1cc(F)ccc1C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206474512 803248414 /nfs/dbraw/zinc/24/84/14/803248414.db2.gz CSCGHKAJMNZNGC-CMPLNLGQSA-N 2 2 254.305 0.586 20 0 CCADLP COc1cc(F)ccc1C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206474512 803248417 /nfs/dbraw/zinc/24/84/17/803248417.db2.gz CSCGHKAJMNZNGC-CMPLNLGQSA-N 2 2 254.305 0.586 20 0 CCADLP CO[C@@H](C)C[NH2+]CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001206684217 803277858 /nfs/dbraw/zinc/27/78/58/803277858.db2.gz WYNJITRFISZFLK-LBPRGKRZSA-N 2 2 294.399 0.815 20 0 CCADLP C[NH+](C)CCN1CC2(C1)C[NH+](C[C@H]1CCC[N@H+](C)C1)C2 ZINC001276498196 803293520 /nfs/dbraw/zinc/29/35/20/803293520.db2.gz SKVDPENXGXSVAA-HNNXBMFYSA-N 3 2 280.460 0.507 20 0 CCADLP C[NH+](C)CCN1CC2(C1)C[NH+](C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001276498196 803293525 /nfs/dbraw/zinc/29/35/25/803293525.db2.gz SKVDPENXGXSVAA-HNNXBMFYSA-N 3 2 280.460 0.507 20 0 CCADLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1cncc(F)c1 ZINC001207023908 803336289 /nfs/dbraw/zinc/33/62/89/803336289.db2.gz QLILTMIZSRKRBL-UHFFFAOYSA-N 2 2 266.364 0.900 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001209296573 803591075 /nfs/dbraw/zinc/59/10/75/803591075.db2.gz UVWBDFKRTAUPFZ-OAHLLOKOSA-N 2 2 283.416 0.115 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cncs2)C1 ZINC001209552315 803612316 /nfs/dbraw/zinc/61/23/16/803612316.db2.gz HZYKWALVYFNKIO-LLVKDONJSA-N 2 2 282.413 0.785 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cncs2)C1 ZINC001209552315 803612321 /nfs/dbraw/zinc/61/23/21/803612321.db2.gz HZYKWALVYFNKIO-LLVKDONJSA-N 2 2 282.413 0.785 20 0 CCADLP Nc1cc[nH+]cc1C[NH+]1CCC(N2CCOCC2)CC1 ZINC001209725890 803624582 /nfs/dbraw/zinc/62/45/82/803624582.db2.gz DAYRBSXFDLFUEN-UHFFFAOYSA-N 2 2 276.384 0.791 20 0 CCADLP Nc1cc[nH+]cc1C[NH+]1CCC2(CNC(=O)N2)CC1 ZINC001209732657 803625942 /nfs/dbraw/zinc/62/59/42/803625942.db2.gz KRJHIMHKSCTUHM-UHFFFAOYSA-N 2 2 261.329 0.142 20 0 CCADLP CCNC(=O)CO[C@@H]1CCC[N@H+](Cc2c[nH+]ccc2N)C1 ZINC001209737610 803627622 /nfs/dbraw/zinc/62/76/22/803627622.db2.gz QCYFPOPTDQIVTD-CYBMUJFWSA-N 2 2 292.383 0.611 20 0 CCADLP CCNC(=O)CO[C@@H]1CCC[N@@H+](Cc2c[nH+]ccc2N)C1 ZINC001209737610 803627624 /nfs/dbraw/zinc/62/76/24/803627624.db2.gz QCYFPOPTDQIVTD-CYBMUJFWSA-N 2 2 292.383 0.611 20 0 CCADLP CCOCC[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209837707 803632248 /nfs/dbraw/zinc/63/22/48/803632248.db2.gz RJQOTMXGRHFMLK-LBPRGKRZSA-N 2 2 280.372 0.569 20 0 CCADLP COCCC[NH2+][C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001210302406 803646404 /nfs/dbraw/zinc/64/64/04/803646404.db2.gz BAYUXOIUERNUOE-GFCCVEGCSA-N 2 2 280.372 0.569 20 0 CCADLP COCCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001216565119 803844048 /nfs/dbraw/zinc/84/40/48/803844048.db2.gz IMGBKVODRTVYQU-BXUZGUMPSA-N 2 2 294.399 0.734 20 0 CCADLP C[C@H]1C[NH+](CCc2nnc([C@@H]3C[C@@H](O)C[NH2+]3)o2)C[C@H](C)O1 ZINC001217696073 803903008 /nfs/dbraw/zinc/90/30/08/803903008.db2.gz ZBQZVJBDGTWLTG-YFKTTZPYSA-N 2 2 296.371 0.117 20 0 CCADLP C[C@@H]1C[NH+](CCc2nnc([C@H]3[NH2+]CC[C@@H]3O)o2)C[C@@H](C)O1 ZINC001217748619 803909798 /nfs/dbraw/zinc/90/97/98/803909798.db2.gz LDOQJMJWXKPFCK-DCQANWLSSA-N 2 2 296.371 0.117 20 0 CCADLP CC1(C)[NH2+][C@H](CO[C@@H]2C[NH2+]CC(F)(F)C2)CO1 ZINC001217854839 803921251 /nfs/dbraw/zinc/92/12/51/803921251.db2.gz JFNZSIUURNDOBM-BDAKNGLRSA-N 2 2 250.289 0.725 20 0 CCADLP Cc1nc(Cl)cc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)n1 ZINC001218523643 803983513 /nfs/dbraw/zinc/98/35/13/803983513.db2.gz FPHNBACSIDBTRC-RQJHMYQMSA-N 2 2 255.709 0.066 20 0 CCADLP [NH3+][C@H]1CCc2nc(NC(=O)C3(F)C[NH2+]C3)sc2C1 ZINC001218532411 803991867 /nfs/dbraw/zinc/99/18/67/803991867.db2.gz HCNBQGYUTTYADU-LURJTMIESA-N 2 2 270.333 0.209 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cc(Cl)nnc1Cl ZINC001218540687 803994544 /nfs/dbraw/zinc/99/45/44/803994544.db2.gz KDTYMVCXPURMCQ-BYPYZUCNSA-N 2 2 264.116 0.398 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cccc(C(F)(F)F)n1 ZINC001218539159 803995182 /nfs/dbraw/zinc/99/51/82/803995182.db2.gz AHCJVIAODFFNIF-LURJTMIESA-N 2 2 262.235 0.715 20 0 CCADLP CCOC(=O)c1c(C)nsc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218545415 803998251 /nfs/dbraw/zinc/99/82/51/803998251.db2.gz BHRQCSRLNHRGOK-YUMQZZPRSA-N 2 2 298.368 0.113 20 0 CCADLP Cc1nc(Cl)ncc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218585954 804022195 /nfs/dbraw/zinc/02/21/95/804022195.db2.gz CXAHUXAXJQYCBL-QMMMGPOBSA-N 2 2 280.719 0.670 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cc3ccccc3oc2=O)C1 ZINC001218595383 804027761 /nfs/dbraw/zinc/02/77/61/804027761.db2.gz RQJMYOMKTMARMA-ZJUUUORDSA-N 2 2 273.292 0.421 20 0 CCADLP C[S@](=O)CC[C@H]([NH3+])C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001218620416 804037762 /nfs/dbraw/zinc/03/77/62/804037762.db2.gz LXWLWPSTYRYMHI-OVWNDWIMSA-N 2 2 281.381 0.027 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1noc2cnccc21 ZINC001218646377 804057733 /nfs/dbraw/zinc/05/77/33/804057733.db2.gz OZWRMBWYPOUYFU-SECBINFHSA-N 2 2 272.268 0.454 20 0 CCADLP Cc1cc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])n(C2CCC2)n1 ZINC001218728835 804098679 /nfs/dbraw/zinc/09/86/79/804098679.db2.gz PCVVJMNCUNTXQY-QWRGUYRKSA-N 2 2 263.345 0.402 20 0 CCADLP Cc1cccc2ncc(NC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)n21 ZINC001218738592 804099777 /nfs/dbraw/zinc/09/97/77/804099777.db2.gz YTIUKMDKPUODEC-ZJUUUORDSA-N 2 2 259.313 0.270 20 0 CCADLP [NH3+]C[C@@H](O)CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001218811840 804130147 /nfs/dbraw/zinc/13/01/47/804130147.db2.gz LFFYBSZFCRFOMJ-LBPRGKRZSA-N 2 2 260.297 0.521 20 0 CCADLP Cc1ccc(CO)cc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001218812387 804131062 /nfs/dbraw/zinc/13/10/62/804131062.db2.gz RCTUJQVSRHFCMM-ZDUSSCGKSA-N 2 2 288.351 0.729 20 0 CCADLP Cc1nc2c(cccc2NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])o1 ZINC001218865303 804142064 /nfs/dbraw/zinc/14/20/64/804142064.db2.gz UEHLIPMGUFZNGL-IUCAKERBSA-N 2 2 260.297 0.621 20 0 CCADLP [NH3+]C1(C(=O)Nc2cccc3c2cc[nH]c3=O)CC[NH2+]CC1 ZINC001218901703 804153111 /nfs/dbraw/zinc/15/31/11/804153111.db2.gz OPBJNYCKOOSBSM-UHFFFAOYSA-N 2 2 286.335 0.960 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cccc3nccnc32)C1 ZINC001218913954 804156269 /nfs/dbraw/zinc/15/62/69/804156269.db2.gz SKBYSEMDLLUTKR-KCJUWKMLSA-N 2 2 257.297 0.258 20 0 CCADLP COC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc2c(c1)CC[NH2+]CC2 ZINC001218936936 804162568 /nfs/dbraw/zinc/16/25/68/804162568.db2.gz HRPWUGGWSAPGFI-ZDUSSCGKSA-N 2 2 291.351 0.204 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001218996331 804180343 /nfs/dbraw/zinc/18/03/43/804180343.db2.gz XHOQPPSZIMKBSB-DOMZBBRYSA-N 3 2 299.378 0.995 20 0 CCADLP [NH3+]C1(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CC[NH2+]CC1 ZINC001219027882 804183815 /nfs/dbraw/zinc/18/38/15/804183815.db2.gz GOTMIWLDMYYRHN-UHFFFAOYSA-N 3 2 290.367 0.188 20 0 CCADLP COc1ccc(CO)c(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)c1 ZINC001219074317 804191363 /nfs/dbraw/zinc/19/13/63/804191363.db2.gz FRHNYSXHIJKIIC-JMSVASOKSA-N 2 2 291.351 0.348 20 0 CCADLP COCCNc1cccc(F)c1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001219297375 804261641 /nfs/dbraw/zinc/26/16/41/804261641.db2.gz NYWXREBAGQPCHD-SKDRFNHKSA-N 2 2 296.346 0.512 20 0 CCADLP [NH3+]Cc1ccc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)cc1 ZINC001219343606 804279720 /nfs/dbraw/zinc/27/97/20/804279720.db2.gz KNNANGMVFNFSPS-LBPRGKRZSA-N 3 2 259.313 0.377 20 0 CCADLP CC1(C)Cc2c(NC(=O)[C@@H]([NH3+])CC[NH3+])cccc2NC1=O ZINC001219528754 804339476 /nfs/dbraw/zinc/33/94/76/804339476.db2.gz SKHKMDWQMZADKF-JTQLQIEISA-N 2 2 290.367 0.822 20 0 CCADLP C[C@H](NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)c1ccncc1 ZINC001219600077 804369413 /nfs/dbraw/zinc/36/94/13/804369413.db2.gz HJRONGPVZHJSAM-JOYOIKCWSA-N 2 2 259.313 0.552 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)C[C@@H]([NH3+])C(C)(C)C)c1 ZINC000313237059 804389976 /nfs/dbraw/zinc/38/99/76/804389976.db2.gz TVCXFMHKTLZVOO-LLVKDONJSA-N 2 2 252.362 0.842 20 0 CCADLP Cc1ccc(CCCNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)s1 ZINC001219718187 804412903 /nfs/dbraw/zinc/41/29/03/804412903.db2.gz JGJWFJFZTZNUFJ-PWSUYJOCSA-N 2 2 267.398 0.795 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1O ZINC001219774241 804419459 /nfs/dbraw/zinc/41/94/59/804419459.db2.gz FZFDXNYHAHDZOP-KGLIPLIRSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1O ZINC001219774241 804419464 /nfs/dbraw/zinc/41/94/64/804419464.db2.gz FZFDXNYHAHDZOP-KGLIPLIRSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1O ZINC001219774241 804419469 /nfs/dbraw/zinc/41/94/69/804419469.db2.gz FZFDXNYHAHDZOP-KGLIPLIRSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1O ZINC001219774241 804419474 /nfs/dbraw/zinc/41/94/74/804419474.db2.gz FZFDXNYHAHDZOP-KGLIPLIRSA-N 2 2 292.383 0.304 20 0 CCADLP CC(C)OC(=O)[C@H](C)NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001219881359 804439915 /nfs/dbraw/zinc/43/99/15/804439915.db2.gz WPCFATHWYTVWPY-GXFFZTMASA-N 2 2 293.367 0.715 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCCCCC[NH+](C)C ZINC001219918030 804446514 /nfs/dbraw/zinc/44/65/14/804446514.db2.gz CGJWKNVFRZRQSV-ZDUSSCGKSA-N 3 2 281.404 0.138 20 0 CCADLP O=C(NC[C@@H]1Cc2ccccc2O1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219925084 804449910 /nfs/dbraw/zinc/44/99/10/804449910.db2.gz FKAFOHIOBCVRGS-XEZPLFJOSA-N 2 2 287.363 0.058 20 0 CCADLP O=C(NCCC[NH2+]C1CCCCC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219952047 804456532 /nfs/dbraw/zinc/45/65/32/804456532.db2.gz MNSYKQGTMMESFS-CJNGLKHVSA-N 3 2 294.443 0.367 20 0 CCADLP Cc1c[nH]c(CCNC(=O)[C@@H]([NH3+])CCCC[NH+](C)C)[nH+]1 ZINC001219951777 804456630 /nfs/dbraw/zinc/45/66/30/804456630.db2.gz ARWWSOHPPAQQOJ-LBPRGKRZSA-N 3 2 281.404 0.436 20 0 CCADLP CCC[NH+]1CCC(NC(=O)C2([NH3+])CC[NH2+]CC2)CC1 ZINC001219954004 804458237 /nfs/dbraw/zinc/45/82/37/804458237.db2.gz ALIPDXLGDLHNLX-UHFFFAOYSA-N 3 2 268.405 0.058 20 0 CCADLP CCCCC[C@H]([NH2+]C)C(=O)N[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001219967564 804459877 /nfs/dbraw/zinc/45/98/77/804459877.db2.gz AEXYQOHMGXLHFB-WOPDTQHZSA-N 2 2 285.388 0.174 20 0 CCADLP O=C(NCc1ccc2n[nH]cc2c1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220025016 804476695 /nfs/dbraw/zinc/47/66/95/804476695.db2.gz HADLQZSOJZSCPG-IUODEOHRSA-N 2 2 285.351 0.131 20 0 CCADLP CC1(C)CC(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC(C)(C)N1O ZINC001220049724 804485304 /nfs/dbraw/zinc/48/53/04/804485304.db2.gz POJJAJABQIEFKP-QWRGUYRKSA-N 2 2 284.404 0.060 20 0 CCADLP COC(=O)[C@@H]([NH3+])CC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC001220062182 804490891 /nfs/dbraw/zinc/49/08/91/804490891.db2.gz PHLGFRICCPUTOX-NEPJUHHUSA-N 2 2 285.388 0.258 20 0 CCADLP COC(=O)[C@@H]([NH3+])CC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC001220062182 804490895 /nfs/dbraw/zinc/49/08/95/804490895.db2.gz PHLGFRICCPUTOX-NEPJUHHUSA-N 2 2 285.388 0.258 20 0 CCADLP O=C(N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1)C1(F)C[NH2+]C1 ZINC001220158847 804521998 /nfs/dbraw/zinc/52/19/98/804521998.db2.gz IVEMIBJSGKMYIV-CMPLNLGQSA-N 2 2 255.337 0.336 20 0 CCADLP CC1(C)C[C@@H](CNC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)O1 ZINC001220200659 804536157 /nfs/dbraw/zinc/53/61/57/804536157.db2.gz QEVYVYJAVJNURV-QWHCGFSZSA-N 2 2 277.368 0.942 20 0 CCADLP CC1(C)C[C@H](NC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CCO1 ZINC001220219112 804540837 /nfs/dbraw/zinc/54/08/37/804540837.db2.gz QBYGGPRJZWAKNL-JTNHKYCSSA-N 2 2 267.373 0.012 20 0 CCADLP C=Cc1ccc(CNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)cc1 ZINC001220219101 804541028 /nfs/dbraw/zinc/54/10/28/804541028.db2.gz PTCUCKMWJAUIFQ-HOCLYGCPSA-N 2 2 271.364 0.897 20 0 CCADLP C[C@H](CCCC(C)(C)O)NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220243772 804548993 /nfs/dbraw/zinc/54/89/93/804548993.db2.gz YFUMJEBEVBVTDU-MXWKQRLJSA-N 2 2 257.378 0.122 20 0 CCADLP Cc1[nH+]c[nH]c1CSCCNC(=O)C1([NH3+])CC1 ZINC001220257105 804551758 /nfs/dbraw/zinc/55/17/58/804551758.db2.gz NSIAVJGLBFAWRQ-UHFFFAOYSA-N 2 2 254.359 0.559 20 0 CCADLP C[NH+](C)CC(C)(C)CNC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220254151 804552421 /nfs/dbraw/zinc/55/24/21/804552421.db2.gz KGONKZPPYGKEDP-CQSZACIVSA-N 3 2 292.427 0.963 20 0 CCADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220332979 804576529 /nfs/dbraw/zinc/57/65/29/804576529.db2.gz RHNDSHGZZJXRBP-KQTLUZQSSA-N 3 2 294.443 0.445 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@H]2COCc3ccccc32)C1 ZINC001220657615 804644047 /nfs/dbraw/zinc/64/40/47/804644047.db2.gz IGYLLPYPQRUQEN-WXHSDQCUSA-N 2 2 261.325 0.063 20 0 CCADLP [NH3+]C1(C(=O)NCc2cccc3cc[nH]c32)CC[NH2+]CC1 ZINC001220714214 804653193 /nfs/dbraw/zinc/65/31/93/804653193.db2.gz CNALBCVRPSWPSU-UHFFFAOYSA-N 2 2 272.352 0.865 20 0 CCADLP CCCCC[C@H]([NH2+]C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC001220724117 804656449 /nfs/dbraw/zinc/65/64/49/804656449.db2.gz DUGRCTAOILQRAY-KBPBESRZSA-N 2 2 285.432 0.992 20 0 CCADLP CCCCC[C@H]([NH2+]C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC001220724117 804656451 /nfs/dbraw/zinc/65/64/51/804656451.db2.gz DUGRCTAOILQRAY-KBPBESRZSA-N 2 2 285.432 0.992 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C1CCC(C[NH3+])CC1 ZINC001220725803 804656516 /nfs/dbraw/zinc/65/65/16/804656516.db2.gz YNZLFPJRGWJCOE-HSBZDZAISA-N 2 2 283.416 0.588 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C1CCC(C[NH3+])CC1 ZINC001220725803 804656520 /nfs/dbraw/zinc/65/65/20/804656520.db2.gz YNZLFPJRGWJCOE-HSBZDZAISA-N 2 2 283.416 0.588 20 0 CCADLP COC1CCC(CCNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC1 ZINC001220754624 804659363 /nfs/dbraw/zinc/65/93/63/804659363.db2.gz IVWKOJNESJCTIU-TYUFSLCMSA-N 2 2 269.389 0.245 20 0 CCADLP CC(=O)NC[C@@H](C)CNC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220756315 804660847 /nfs/dbraw/zinc/66/08/47/804660847.db2.gz AWWGJJTVIKPDMB-QMTHXVAHSA-N 2 2 292.383 0.147 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)CC(C)(C)CC[NH3+] ZINC001220766504 804663471 /nfs/dbraw/zinc/66/34/71/804663471.db2.gz UAFZHVADEIISIK-TUAOUCFPSA-N 3 2 270.421 0.193 20 0 CCADLP OC[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1O ZINC000316047255 804667317 /nfs/dbraw/zinc/66/73/17/804667317.db2.gz DVHNMCMDCCEUTI-HIFRSBDPSA-N 2 2 273.336 0.657 20 0 CCADLP OC[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1O ZINC000316047255 804667320 /nfs/dbraw/zinc/66/73/20/804667320.db2.gz DVHNMCMDCCEUTI-HIFRSBDPSA-N 2 2 273.336 0.657 20 0 CCADLP Cc1nnc(CNC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)o1 ZINC001221010890 804716455 /nfs/dbraw/zinc/71/64/55/804716455.db2.gz SMKBYBUWAIMLLO-NSHDSACASA-N 2 2 275.312 0.267 20 0 CCADLP CC(C)n1ccc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)cc1=O ZINC001221151114 804735487 /nfs/dbraw/zinc/73/54/87/804735487.db2.gz CIVRCEQQRQBJQR-LBPRGKRZSA-N 2 2 289.339 0.661 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H]1CCCC(F)(F)C1 ZINC001221162392 804737020 /nfs/dbraw/zinc/73/70/20/804737020.db2.gz UUGAXODBOQWFGT-GUBZILKMSA-N 2 2 261.316 0.475 20 0 CCADLP CCn1cc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)ccc1=O ZINC001221176752 804740877 /nfs/dbraw/zinc/74/08/77/804740877.db2.gz LUABYYAFMBTTMP-GYSYKLTISA-N 2 2 276.340 0.029 20 0 CCADLP C[NH+](C)CC1CCC(NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC1 ZINC001221403121 804805940 /nfs/dbraw/zinc/80/59/40/804805940.db2.gz QTGXNMPXLPRFIZ-NNVWEFMASA-N 3 2 294.443 0.173 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)[C@@H](C)C1 ZINC001221406800 804808700 /nfs/dbraw/zinc/80/87/00/804808700.db2.gz ILMHKNWGFDADBL-YYFQZIEXSA-N 3 2 294.443 0.171 20 0 CCADLP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)[C@@H](C)C1 ZINC001221406800 804808709 /nfs/dbraw/zinc/80/87/09/804808709.db2.gz ILMHKNWGFDADBL-YYFQZIEXSA-N 3 2 294.443 0.171 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC[C@@]12CCC[NH2+]C2 ZINC001222236704 804884490 /nfs/dbraw/zinc/88/44/90/804884490.db2.gz AKVKQVWQIBDNAN-CQSZACIVSA-N 2 2 253.390 0.537 20 0 CCADLP C(C[N@@H+]1CCC[C@@]12CCC[NH2+]C2)N1CCOCC1 ZINC001222236704 804884498 /nfs/dbraw/zinc/88/44/98/804884498.db2.gz AKVKQVWQIBDNAN-CQSZACIVSA-N 2 2 253.390 0.537 20 0 CCADLP C(C[N@H+]1CCC[C@@]12CCC[NH2+]C2)N1CCOCC1 ZINC001222236704 804884505 /nfs/dbraw/zinc/88/45/05/804884505.db2.gz AKVKQVWQIBDNAN-CQSZACIVSA-N 2 2 253.390 0.537 20 0 CCADLP CCOC(=O)c1nc[nH]c1C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222548229 804914976 /nfs/dbraw/zinc/91/49/76/804914976.db2.gz BINIGEMXFMBAJR-UHFFFAOYSA-N 2 2 284.335 0.849 20 0 CCADLP COCC[NH2+]CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1n1cncn1 ZINC000423331126 804976710 /nfs/dbraw/zinc/97/67/10/804976710.db2.gz MMVNMWUJTPDLPA-MJBXVCDLSA-N 2 2 281.404 0.833 20 0 CCADLP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)S(C)(=O)=O ZINC000697632334 815072764 /nfs/dbraw/zinc/07/27/64/815072764.db2.gz JIAZXKPSOLIHGY-YEJSDXFRSA-N 2 2 260.403 0.634 20 0 CCADLP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)S(C)(=O)=O ZINC000697632334 815072769 /nfs/dbraw/zinc/07/27/69/815072769.db2.gz JIAZXKPSOLIHGY-YEJSDXFRSA-N 2 2 260.403 0.634 20 0 CCADLP C[C@@H](O)CCC[NH+]1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001229356149 805525070 /nfs/dbraw/zinc/52/50/70/805525070.db2.gz YBQNTTXCHUZCTG-GFCCVEGCSA-N 2 2 294.399 0.694 20 0 CCADLP OC1C[NH+](Cc2ccc(-c3ncnc4c3C[NH2+]C4)cc2)C1 ZINC001243637814 807040072 /nfs/dbraw/zinc/04/00/72/807040072.db2.gz VQFVULBNLSSQGH-UHFFFAOYSA-N 2 2 282.347 0.923 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH2+]C[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)C[NH2+]1 ZINC001245971056 807103650 /nfs/dbraw/zinc/10/36/50/807103650.db2.gz DQNFTYCUTPTCLD-BSWAZPDLSA-N 3 2 291.439 0.895 20 0 CCADLP O[C@H](COc1cccc(F)c1)C[N@@H+]1CCC[NH2+]CC1 ZINC001246013732 807115547 /nfs/dbraw/zinc/11/55/47/807115547.db2.gz JBOODHARBBZDPP-ZDUSSCGKSA-N 2 2 268.332 0.861 20 0 CCADLP O[C@H](COc1cccc(F)c1)C[N@H+]1CCC[NH2+]CC1 ZINC001246013732 807115552 /nfs/dbraw/zinc/11/55/52/807115552.db2.gz JBOODHARBBZDPP-ZDUSSCGKSA-N 2 2 268.332 0.861 20 0 CCADLP C[C@@H]1CC[N@H+](C[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)C[C@@H]1C[NH3+] ZINC001246022315 807120942 /nfs/dbraw/zinc/12/09/42/807120942.db2.gz QRGMUBHLJGWXOA-BSWAZPDLSA-N 3 2 291.439 0.834 20 0 CCADLP C[C@@H]1CC[N@@H+](C[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)C[C@@H]1C[NH3+] ZINC001246022315 807120947 /nfs/dbraw/zinc/12/09/47/807120947.db2.gz QRGMUBHLJGWXOA-BSWAZPDLSA-N 3 2 291.439 0.834 20 0 CCADLP COc1cccc([C@H](O)C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1 ZINC001246030777 807126798 /nfs/dbraw/zinc/12/67/98/807126798.db2.gz YWSFDBQMAHVHKJ-HZPDHXFCSA-N 2 2 291.395 0.366 20 0 CCADLP COc1cccc([C@H](O)C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1 ZINC001246030777 807126804 /nfs/dbraw/zinc/12/68/04/807126804.db2.gz YWSFDBQMAHVHKJ-HZPDHXFCSA-N 2 2 291.395 0.366 20 0 CCADLP C[C@H]([NH3+])C[N@H+](C)C[C@](C)(O)C(=O)OCc1ccccc1 ZINC001246058833 807135954 /nfs/dbraw/zinc/13/59/54/807135954.db2.gz LXQRRKRVJUANGW-WFASDCNBSA-N 2 2 280.368 0.760 20 0 CCADLP C[C@H]([NH3+])C[N@@H+](C)C[C@](C)(O)C(=O)OCc1ccccc1 ZINC001246058833 807135958 /nfs/dbraw/zinc/13/59/58/807135958.db2.gz LXQRRKRVJUANGW-WFASDCNBSA-N 2 2 280.368 0.760 20 0 CCADLP CC(C)(C)OC(=O)[C@H](O)C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001246057672 807136375 /nfs/dbraw/zinc/13/63/75/807136375.db2.gz BZKZVSIMDKICJA-FRRDWIJNSA-N 2 2 284.400 0.763 20 0 CCADLP CC(C)(C)OC(=O)[C@H](O)C[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001246057672 807136378 /nfs/dbraw/zinc/13/63/78/807136378.db2.gz BZKZVSIMDKICJA-FRRDWIJNSA-N 2 2 284.400 0.763 20 0 CCADLP F[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCC2(CC1)C[NH2+]CCO2 ZINC001246078343 807144358 /nfs/dbraw/zinc/14/43/58/807144358.db2.gz AJENUJKAETUOSJ-DKNRTOFZSA-N 3 2 271.380 0.577 20 0 CCADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCN(c3ncccn3)C2)C[NH2+]1 ZINC001246079939 807146072 /nfs/dbraw/zinc/14/60/72/807146072.db2.gz LLRYHGUTWQBKNU-JHJVBQTASA-N 2 2 261.373 0.785 20 0 CCADLP C([NH2+][C@H]1CSC2(C[NH2+]C2)C1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246148315 807167177 /nfs/dbraw/zinc/16/71/77/807167177.db2.gz RLRFAHICBMOCQJ-QWHCGFSZSA-N 4 2 296.484 0.298 20 0 CCADLP COC(=O)CC[C@H](C)[NH2+][C@@H](CCCC[NH3+])C(=O)OC ZINC001246154523 807170298 /nfs/dbraw/zinc/17/02/98/807170298.db2.gz ZDRLQQVARHRTNO-QWRGUYRKSA-N 2 2 274.361 0.588 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](NCC[NH2+]Cc2ccccc2)C[NH2+]1 ZINC001246165315 807173462 /nfs/dbraw/zinc/17/34/62/807173462.db2.gz GPVNFAZFSXASSH-KGLIPLIRSA-N 2 2 277.368 0.269 20 0 CCADLP COCCn1c[nH+]cc1CN[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246240960 807196341 /nfs/dbraw/zinc/19/63/41/807196341.db2.gz SZUFSLLGRIUCJL-NEPJUHHUSA-N 2 2 252.362 0.760 20 0 CCADLP CC(C)[NH+]1CCN(CC[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246241307 807197112 /nfs/dbraw/zinc/19/71/12/807197112.db2.gz ZGKYELYEYJZCSY-LSDHHAIUSA-N 3 2 268.449 0.743 20 0 CCADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)N(C)C)C2)C[NH2+]1 ZINC001246331358 807223502 /nfs/dbraw/zinc/22/35/02/807223502.db2.gz WBJPOMGNQSXNRE-JHJVBQTASA-N 2 2 268.405 0.863 20 0 CCADLP O=C(N1CCC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C1)C(F)(F)F ZINC001246349529 807229978 /nfs/dbraw/zinc/22/99/78/807229978.db2.gz RVEZVQILISXQNG-ZJUUUORDSA-N 2 2 279.306 0.881 20 0 CCADLP O=C1C[C@H]([NH2+]C2(c3ccccc3)CC[NH2+]CC2)CN1 ZINC001246427598 807249321 /nfs/dbraw/zinc/24/93/21/807249321.db2.gz DNYDOLCPWDFESS-ZDUSSCGKSA-N 2 2 259.353 0.743 20 0 CCADLP NC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001246420234 807250030 /nfs/dbraw/zinc/25/00/30/807250030.db2.gz YKAUBURKHWBICV-STQMWFEESA-N 3 2 268.405 0.043 20 0 CCADLP NC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001246420233 807250378 /nfs/dbraw/zinc/25/03/78/807250378.db2.gz YKAUBURKHWBICV-OLZOCXBDSA-N 3 2 268.405 0.043 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H](NC[C@@]2(C)CCC[NH2+]2)C[NH2+]1 ZINC001246461300 807256730 /nfs/dbraw/zinc/25/67/30/807256730.db2.gz ANUCFNVSSXSMIP-TYNCELHUSA-N 2 2 283.416 0.790 20 0 CCADLP CCOC(=O)C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]([NH3+])[C@H](O)C2)C1 ZINC001246562237 807291127 /nfs/dbraw/zinc/29/11/27/807291127.db2.gz ZDFVTSXZSPDHFZ-WRWGMCAJSA-N 2 2 256.346 0.112 20 0 CCADLP CCOC(=O)C[C@@H]1CC[C@H]([N@H+]2C[C@@H]([NH3+])[C@H](O)C2)C1 ZINC001246562237 807291132 /nfs/dbraw/zinc/29/11/32/807291132.db2.gz ZDFVTSXZSPDHFZ-WRWGMCAJSA-N 2 2 256.346 0.112 20 0 CCADLP CCCC[C@H]1C[C@@H]([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246582379 807303513 /nfs/dbraw/zinc/30/35/13/807303513.db2.gz XCQZESRYACZONF-XDQVBPFNSA-N 3 2 255.406 0.549 20 0 CCADLP CCCC[C@H]1C[C@@H]([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246582379 807303520 /nfs/dbraw/zinc/30/35/20/807303520.db2.gz XCQZESRYACZONF-XDQVBPFNSA-N 3 2 255.406 0.549 20 0 CCADLP OC[C@@H]1C[C@H]2OCC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@@H]2C1 ZINC001246654312 807347848 /nfs/dbraw/zinc/34/78/48/807347848.db2.gz JXTYLFPKFQPGHR-OFCMCXEBSA-N 2 2 266.385 0.741 20 0 CCADLP OC[C@@H]1C[C@H]2OCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@@H]2C1 ZINC001246654312 807347857 /nfs/dbraw/zinc/34/78/57/807347857.db2.gz JXTYLFPKFQPGHR-OFCMCXEBSA-N 2 2 266.385 0.741 20 0 CCADLP O=C1NCC[C@@]12CCC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246708663 807363092 /nfs/dbraw/zinc/36/30/92/807363092.db2.gz SADILUBYAIYVIC-RLCAUIQDSA-N 2 2 263.385 0.872 20 0 CCADLP O=C1NCC[C@@]12CCC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246708663 807363098 /nfs/dbraw/zinc/36/30/98/807363098.db2.gz SADILUBYAIYVIC-RLCAUIQDSA-N 2 2 263.385 0.872 20 0 CCADLP OCc1ncn2c1C[N@@H+]([C@H]1CSC3(C[NH2+]C3)C1)CC2 ZINC001246714378 807364038 /nfs/dbraw/zinc/36/40/38/807364038.db2.gz LCMCFLUBYGAVCD-SNVBAGLBSA-N 2 2 280.397 0.039 20 0 CCADLP OCc1ncn2c1C[N@H+]([C@H]1CSC3(C[NH2+]C3)C1)CC2 ZINC001246714378 807364048 /nfs/dbraw/zinc/36/40/48/807364048.db2.gz LCMCFLUBYGAVCD-SNVBAGLBSA-N 2 2 280.397 0.039 20 0 CCADLP C[C@@H]1C[C@@H](N2CC[NH+](C3(C)CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC001246810043 807391399 /nfs/dbraw/zinc/39/13/99/807391399.db2.gz MAZFYWVGCLHTBN-CABCVRRESA-N 3 2 280.460 0.887 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCN(CC[NH+]3CCCC3)CC2)CC[NH2+]1 ZINC001246857832 807409565 /nfs/dbraw/zinc/40/95/65/807409565.db2.gz IPGPRRWPSAIIDX-CVEARBPZSA-N 3 2 280.460 0.840 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCN(c3ncc(O)cn3)CC2)CC[NH2+]1 ZINC001246911155 807425684 /nfs/dbraw/zinc/42/56/84/807425684.db2.gz BZMOLSCMNMKMMM-NEPJUHHUSA-N 2 2 277.372 0.445 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](C2CCC([NH+](C)C)CC2)C[C@H]1[NH3+] ZINC001246929508 807432167 /nfs/dbraw/zinc/43/21/67/807432167.db2.gz DWOFVTKBSLGXEX-IFWUJCSASA-N 3 2 269.389 0.291 20 0 CCADLP COC(=O)[C@H]1C[N@H+](C2CCC([NH+](C)C)CC2)C[C@H]1[NH3+] ZINC001246929508 807432169 /nfs/dbraw/zinc/43/21/69/807432169.db2.gz DWOFVTKBSLGXEX-IFWUJCSASA-N 3 2 269.389 0.291 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+]([C@H]2CCCC3(C2)OCCO3)C[C@H]1[NH3+] ZINC001246933259 807434322 /nfs/dbraw/zinc/43/43/22/807434322.db2.gz RRCFRWLUDUKDMP-QJPTWQEYSA-N 2 2 284.356 0.104 20 0 CCADLP COC(=O)[C@@H]1C[N@H+]([C@H]2CCCC3(C2)OCCO3)C[C@H]1[NH3+] ZINC001246933259 807434327 /nfs/dbraw/zinc/43/43/27/807434327.db2.gz RRCFRWLUDUKDMP-QJPTWQEYSA-N 2 2 284.356 0.104 20 0 CCADLP C[C@]1(C[NH2+]CCCO)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001278505134 807512343 /nfs/dbraw/zinc/51/23/43/807512343.db2.gz QAJFBHDXXOFHHU-OAHLLOKOSA-N 2 2 294.399 0.553 20 0 CCADLP C[C@]1(C[NH2+]CCCO)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001278505134 807512351 /nfs/dbraw/zinc/51/23/51/807512351.db2.gz QAJFBHDXXOFHHU-OAHLLOKOSA-N 2 2 294.399 0.553 20 0 CCADLP O=S1(=O)CC[C@@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC001168357943 815125898 /nfs/dbraw/zinc/12/58/98/815125898.db2.gz NAZZBYDGLIHCBU-ZDUSSCGKSA-N 2 2 286.441 0.885 20 0 CCADLP O[C@@H](C[NH2+]CCn1cc[nH+]c1)COCC(F)(F)C(F)F ZINC001251545355 807685567 /nfs/dbraw/zinc/68/55/67/807685567.db2.gz NNYVNBAGXPJLCW-VIFPVBQESA-N 2 2 299.268 0.751 20 0 CCADLP CC(C)[NH+](C)Cc1[nH]nc2c1CC[N@@H+](C[C@H](C)O)C2 ZINC001251959550 807752191 /nfs/dbraw/zinc/75/21/91/807752191.db2.gz HMQLEMBROUDYHE-NSHDSACASA-N 2 2 266.389 0.989 20 0 CCADLP CC(C)[N@H+](C)Cc1[nH]nc2c1CC[NH+](C[C@H](C)O)C2 ZINC001251959550 807752199 /nfs/dbraw/zinc/75/21/99/807752199.db2.gz HMQLEMBROUDYHE-NSHDSACASA-N 2 2 266.389 0.989 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001251958880 807752508 /nfs/dbraw/zinc/75/25/08/807752508.db2.gz ATOSTWDRIPSWRV-CFVMTHIKSA-N 2 2 278.400 0.555 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001251958880 807752510 /nfs/dbraw/zinc/75/25/10/807752510.db2.gz ATOSTWDRIPSWRV-CFVMTHIKSA-N 2 2 278.400 0.555 20 0 CCADLP C[C@H](O)C[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001251958880 807752514 /nfs/dbraw/zinc/75/25/14/807752514.db2.gz ATOSTWDRIPSWRV-CFVMTHIKSA-N 2 2 278.400 0.555 20 0 CCADLP C[C@H](O)C[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001251958880 807752518 /nfs/dbraw/zinc/75/25/18/807752518.db2.gz ATOSTWDRIPSWRV-CFVMTHIKSA-N 2 2 278.400 0.555 20 0 CCADLP COC(=O)[C@@H](O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001252425282 807836987 /nfs/dbraw/zinc/83/69/87/807836987.db2.gz JHSONFLCBGQVAM-RYUDHWBXSA-N 2 2 280.324 0.377 20 0 CCADLP COC(=O)[C@@H](O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001252425282 807836996 /nfs/dbraw/zinc/83/69/96/807836996.db2.gz JHSONFLCBGQVAM-RYUDHWBXSA-N 2 2 280.324 0.377 20 0 CCADLP CC[N@H+](CCn1cc[nH+]c1)C[C@@H](O)COC(C)C ZINC001252680977 807940036 /nfs/dbraw/zinc/94/00/36/807940036.db2.gz HWOUUIBSZUENME-CYBMUJFWSA-N 2 2 255.362 0.991 20 0 CCADLP CC[N@@H+](CCn1cc[nH+]c1)C[C@@H](O)COC(C)C ZINC001252680977 807940039 /nfs/dbraw/zinc/94/00/39/807940039.db2.gz HWOUUIBSZUENME-CYBMUJFWSA-N 2 2 255.362 0.991 20 0 CCADLP C[NH+]1CCC(CO)([NH2+]C[C@@](C)(O)c2ccccc2)CC1 ZINC001253126445 808008257 /nfs/dbraw/zinc/00/82/57/808008257.db2.gz HTOJRTQQBRTHRO-OAHLLOKOSA-N 2 2 278.396 0.940 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)CN1CCc2[nH+]c[nH]c2C1 ZINC001253390845 808053337 /nfs/dbraw/zinc/05/33/37/808053337.db2.gz XIDOFFBMNDTJQN-SNVBAGLBSA-N 2 2 252.362 0.517 20 0 CCADLP C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)C1 ZINC001253404449 808058672 /nfs/dbraw/zinc/05/86/72/808058672.db2.gz WJGATSQAMLHLRL-STQMWFEESA-N 3 2 257.422 0.667 20 0 CCADLP C[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)C1 ZINC001253404449 808058678 /nfs/dbraw/zinc/05/86/78/808058678.db2.gz WJGATSQAMLHLRL-STQMWFEESA-N 3 2 257.422 0.667 20 0 CCADLP C[C@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)c1cnn(C)c1 ZINC001253406623 808061577 /nfs/dbraw/zinc/06/15/77/808061577.db2.gz RZVAQOXBYSOWOA-JQWIXIFHSA-N 2 2 254.378 0.820 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CCN1CCC(F)CC1 ZINC001253409566 808063217 /nfs/dbraw/zinc/06/32/17/808063217.db2.gz WGWWTHRUAXCEPS-ZDUSSCGKSA-N 2 2 275.412 0.759 20 0 CCADLP CC(=O)N1CCC(n2c[nH+]c(C)c2CC[NH3+])CC1 ZINC001254416015 808238198 /nfs/dbraw/zinc/23/81/98/808238198.db2.gz JPEHJDJAYCWZAO-UHFFFAOYSA-N 2 2 250.346 0.876 20 0 CCADLP COC(=O)CCC(=O)C[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001254504057 808246037 /nfs/dbraw/zinc/24/60/37/808246037.db2.gz RTZBQIBSWHCMGC-NSHDSACASA-N 2 2 256.346 0.583 20 0 CCADLP COC(=O)CCC(=O)C[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254504057 808246040 /nfs/dbraw/zinc/24/60/40/808246040.db2.gz RTZBQIBSWHCMGC-NSHDSACASA-N 2 2 256.346 0.583 20 0 CCADLP COC(=O)[C@H]1C[N@@H+]([C@H]2CCC[NH+](C)CC2)CCN1C ZINC001254529786 808255619 /nfs/dbraw/zinc/25/56/19/808255619.db2.gz QMBLFNKFWZXQLP-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP COC(=O)[C@H]1C[N@H+]([C@H]2CCC[NH+](C)CC2)CCN1C ZINC001254529786 808255621 /nfs/dbraw/zinc/25/56/21/808255621.db2.gz QMBLFNKFWZXQLP-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP COC(=O)[C@H]1C[NH+]([C@H]2CCC[N@H+](C)CC2)CCN1C ZINC001254529786 808255626 /nfs/dbraw/zinc/25/56/26/808255626.db2.gz QMBLFNKFWZXQLP-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP COC(=O)[C@H]1C[NH+]([C@H]2CCC[N@@H+](C)CC2)CCN1C ZINC001254529786 808255627 /nfs/dbraw/zinc/25/56/27/808255627.db2.gz QMBLFNKFWZXQLP-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP O=C1COCC2(CC[NH+]([C@@H]3CC4CC[NH+](CC4)C3)CC2)N1 ZINC001254857395 808288483 /nfs/dbraw/zinc/28/84/83/808288483.db2.gz ZQTGGNVZEULCDO-CQSZACIVSA-N 2 2 293.411 0.452 20 0 CCADLP C[NH+]1CCC(CO)([NH2+][C@H]2CCOC(C)(C)C2)CC1 ZINC001255535444 808398915 /nfs/dbraw/zinc/39/89/15/808398915.db2.gz MZNPSUMZUJJHCW-LBPRGKRZSA-N 2 2 256.390 0.990 20 0 CCADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+]([C@@H](C)COC)CC2 ZINC001255571947 808405853 /nfs/dbraw/zinc/40/58/53/808405853.db2.gz QTISLFLLKPFKRP-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP CNC(=O)C[N@H+]1CCCC12CC[NH+]([C@@H](C)COC)CC2 ZINC001255571947 808405855 /nfs/dbraw/zinc/40/58/55/808405855.db2.gz QTISLFLLKPFKRP-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+]([C@H](C)COC)CC2 ZINC001255571942 808405937 /nfs/dbraw/zinc/40/59/37/808405937.db2.gz QTISLFLLKPFKRP-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP CNC(=O)C[N@H+]1CCCC12CC[NH+]([C@H](C)COC)CC2 ZINC001255571942 808405941 /nfs/dbraw/zinc/40/59/41/808405941.db2.gz QTISLFLLKPFKRP-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP CC(=O)N1CCO[C@@H]2C[N@H+](C3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC001256203971 808477777 /nfs/dbraw/zinc/47/77/77/808477777.db2.gz OYUYJWXDOBZNAF-GDBMZVCRSA-N 2 2 295.427 0.650 20 0 CCADLP CC(=O)N1CCO[C@@H]2C[N@@H+](C3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC001256203971 808477781 /nfs/dbraw/zinc/47/77/81/808477781.db2.gz OYUYJWXDOBZNAF-GDBMZVCRSA-N 2 2 295.427 0.650 20 0 CCADLP CC(C)(C)OC(=O)N1CCC([NH2+][C@@H]2COC[C@H]2[NH3+])CC1 ZINC001256283705 808487602 /nfs/dbraw/zinc/48/76/02/808487602.db2.gz YCMCPBHBIXNYDC-VXGBXAGGSA-N 2 2 285.388 0.702 20 0 CCADLP C[NH+](CCO)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256621516 808542267 /nfs/dbraw/zinc/54/22/67/808542267.db2.gz UHZGPDLKYCJZRD-AGUYFDCRSA-N 3 2 255.406 0.515 20 0 CCADLP C[N@H+](CCO)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256621516 808542261 /nfs/dbraw/zinc/54/22/61/808542261.db2.gz UHZGPDLKYCJZRD-AGUYFDCRSA-N 3 2 255.406 0.515 20 0 CCADLP C[N@@H+](CCO)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256621516 808542264 /nfs/dbraw/zinc/54/22/64/808542264.db2.gz UHZGPDLKYCJZRD-AGUYFDCRSA-N 3 2 255.406 0.515 20 0 CCADLP C[NH+](CCO)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256621516 808542271 /nfs/dbraw/zinc/54/22/71/808542271.db2.gz UHZGPDLKYCJZRD-AGUYFDCRSA-N 3 2 255.406 0.515 20 0 CCADLP CCOC(=O)[C@H]1CC[C@H]([NH2+][C@H](CCC[NH3+])C(=O)OC)C1 ZINC001257035791 808581374 /nfs/dbraw/zinc/58/13/74/808581374.db2.gz DVJCDPQRMTVCCF-SDDRHHMPSA-N 2 2 286.372 0.588 20 0 CCADLP CC(C)[NH+]1CCC(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)CC1 ZINC001257210886 808598989 /nfs/dbraw/zinc/59/89/89/808598989.db2.gz ZHTBUYTVVMKEDR-INIZCTEOSA-N 3 2 280.460 0.872 20 0 CCADLP COCC[NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C(C)(C)C ZINC001279009540 808611245 /nfs/dbraw/zinc/61/12/45/808611245.db2.gz RGJNSQAYBSFDGJ-LBPRGKRZSA-N 2 2 282.388 0.719 20 0 CCADLP C[C@@H]([NH2+]CCCO)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001279047897 808636909 /nfs/dbraw/zinc/63/69/09/808636909.db2.gz YWOIKMRMMMRHTM-OLZOCXBDSA-N 2 2 280.372 0.092 20 0 CCADLP [NH3+][C@@H]1C[C@H]1[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC001258636990 808697360 /nfs/dbraw/zinc/69/73/60/808697360.db2.gz AZLGJVCYIWMNND-ZIAGYGMSSA-N 2 2 259.353 0.980 20 0 CCADLP [NH3+][C@@H]1COC[C@H]1[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC001258637386 808698213 /nfs/dbraw/zinc/69/82/13/808698213.db2.gz SDGNXYIPSUIEBO-HUUCEWRRSA-N 2 2 289.379 0.607 20 0 CCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)CCC[NH3+])C1 ZINC001261458538 808983790 /nfs/dbraw/zinc/98/37/90/808983790.db2.gz BUXQRUDINWNLIP-LBPRGKRZSA-N 2 2 264.373 0.940 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC001262553711 809339525 /nfs/dbraw/zinc/33/95/25/809339525.db2.gz IMUBODAJSUFFRX-QJPTWQEYSA-N 2 2 262.357 0.639 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001262553892 809339751 /nfs/dbraw/zinc/33/97/51/809339751.db2.gz NHZPOKZCIGTKRX-MNOVXSKESA-N 2 2 250.346 0.417 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)NCCOC2CCCC2)CC1 ZINC001262563708 809344531 /nfs/dbraw/zinc/34/45/31/809344531.db2.gz MJZKTCKNVZSWPT-UHFFFAOYSA-N 2 2 298.431 0.668 20 0 CCADLP C[NH2+]CCCCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001263100924 809443129 /nfs/dbraw/zinc/44/31/29/809443129.db2.gz CHOUNVVEADYAAY-AWEZNQCLSA-N 3 2 296.459 0.661 20 0 CCADLP C[NH2+]CCCCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001263100924 809443131 /nfs/dbraw/zinc/44/31/31/809443131.db2.gz CHOUNVVEADYAAY-AWEZNQCLSA-N 3 2 296.459 0.661 20 0 CCADLP C[C@@H]1C[C@@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C[NH3+] ZINC001263130996 809455074 /nfs/dbraw/zinc/45/50/74/809455074.db2.gz KARZMSBBYQDSAT-MXWKQRLJSA-N 2 2 250.346 0.784 20 0 CCADLP CC1(C)CC[N@H+](CCNC(=O)C[C@H]([NH3+])C(F)F)C1 ZINC001263247828 809494173 /nfs/dbraw/zinc/49/41/73/809494173.db2.gz KLQBBDDQCGQJOY-VIFPVBQESA-N 2 2 263.332 0.817 20 0 CCADLP CC1(C)CC[N@@H+](CCNC(=O)C[C@H]([NH3+])C(F)F)C1 ZINC001263247828 809494179 /nfs/dbraw/zinc/49/41/79/809494179.db2.gz KLQBBDDQCGQJOY-VIFPVBQESA-N 2 2 263.332 0.817 20 0 CCADLP C[NH+]1CC(C[NH2+]C[C@H](O)COc2ccccc2)C1 ZINC000379470918 809512366 /nfs/dbraw/zinc/51/23/66/809512366.db2.gz HWWISCQRRKRTDD-ZDUSSCGKSA-N 2 2 250.342 0.578 20 0 CCADLP COc1ccccc1OC[C@@H](O)C[NH2+]CC1C[NH+](C)C1 ZINC000379440070 809512528 /nfs/dbraw/zinc/51/25/28/809512528.db2.gz OKPCTBCUQYBGHX-ZDUSSCGKSA-N 2 2 280.368 0.586 20 0 CCADLP C[NH+]1CC(C[NH2+]C[C@H](O)COCc2ccccc2)C1 ZINC000379476774 809513011 /nfs/dbraw/zinc/51/30/11/809513011.db2.gz VXIXKKFLHKIQSK-HNNXBMFYSA-N 2 2 264.369 0.715 20 0 CCADLP CC[N@H+](CCO)CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001265120030 809711372 /nfs/dbraw/zinc/71/13/72/809711372.db2.gz XWECPBJNVXQFSY-ZDUSSCGKSA-N 2 2 294.399 0.266 20 0 CCADLP CC[N@@H+](CCO)CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001265120030 809711376 /nfs/dbraw/zinc/71/13/76/809711376.db2.gz XWECPBJNVXQFSY-ZDUSSCGKSA-N 2 2 294.399 0.266 20 0 CCADLP CCOCCC[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001266023545 809919798 /nfs/dbraw/zinc/91/97/98/809919798.db2.gz OOJUFGOQRREHNX-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP CC[NH2+]CC1(CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001167742240 811818180 /nfs/dbraw/zinc/81/81/80/811818180.db2.gz IJSQWIKQSIGAND-UHFFFAOYSA-N 2 2 264.373 0.859 20 0 CCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CC[NH2+]CCCO ZINC001105104686 811842436 /nfs/dbraw/zinc/84/24/36/811842436.db2.gz AQQKALBZUITZKG-ZIAGYGMSSA-N 2 2 294.399 0.340 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O ZINC001077392968 815492017 /nfs/dbraw/zinc/49/20/17/815492017.db2.gz ZNLJINNDBAYRJN-JDEDCZITSA-N 2 2 298.774 0.105 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001077392968 815492022 /nfs/dbraw/zinc/49/20/22/815492022.db2.gz ZNLJINNDBAYRJN-JDEDCZITSA-N 2 2 298.774 0.105 20 0 CCADLP CC(C)[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001027172438 811970517 /nfs/dbraw/zinc/97/05/17/811970517.db2.gz VVVXERPQKVOBRK-LBPRGKRZSA-N 2 2 264.373 0.809 20 0 CCADLP Cc1[nH+]c(N)ccc1CNc1nc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001167781672 812019305 /nfs/dbraw/zinc/01/93/05/812019305.db2.gz LRWVBOYRBDYKSH-UHFFFAOYSA-N 3 2 299.382 0.784 20 0 CCADLP CCN1CCC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1=O ZINC000722347877 812133430 /nfs/dbraw/zinc/13/34/30/812133430.db2.gz VWSUBEXRNXBPJE-CHWSQXEVSA-N 2 2 269.389 0.042 20 0 CCADLP CCN1CCC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1=O ZINC000722347877 812133433 /nfs/dbraw/zinc/13/34/33/812133433.db2.gz VWSUBEXRNXBPJE-CHWSQXEVSA-N 2 2 269.389 0.042 20 0 CCADLP Cc1nc(N[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)cc[nH+]1 ZINC001058849159 812189023 /nfs/dbraw/zinc/18/90/23/812189023.db2.gz XHDNQFUVWNBKJC-QWHCGFSZSA-N 2 2 289.383 0.892 20 0 CCADLP Cc1nc(N[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)cc[nH+]1 ZINC001058849159 812189027 /nfs/dbraw/zinc/18/90/27/812189027.db2.gz XHDNQFUVWNBKJC-QWHCGFSZSA-N 2 2 289.383 0.892 20 0 CCADLP O=C(NC[C@H]1CCC[N@H+]1CCO)[C@@H]1CCn2cc[nH+]c2C1 ZINC001027981560 812192138 /nfs/dbraw/zinc/19/21/38/812192138.db2.gz NSHOVFWHDKMANH-CHWSQXEVSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(NC[C@H]1CCC[N@@H+]1CCO)[C@@H]1CCn2cc[nH+]c2C1 ZINC001027981560 812192141 /nfs/dbraw/zinc/19/21/41/812192141.db2.gz NSHOVFWHDKMANH-CHWSQXEVSA-N 2 2 292.383 0.018 20 0 CCADLP CC[C@@H](C)C[NH2+]C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001268326341 812488740 /nfs/dbraw/zinc/48/87/40/812488740.db2.gz LHOVHEMVEYSGAV-MNOVXSKESA-N 2 2 268.361 0.065 20 0 CCADLP [NH2+]=C(Nc1cnc2c(c1)C[NH2+]CC2)SCC[NH3+] ZINC001167915969 812628720 /nfs/dbraw/zinc/62/87/20/812628720.db2.gz ZGKCAQRLZOICCB-UHFFFAOYSA-N 3 2 251.359 0.766 20 0 CCADLP COCc1cccc(-c2noc([C@H]3C[NH2+]C[C@@H]3[NH3+])n2)c1 ZINC001211755233 812668625 /nfs/dbraw/zinc/66/86/25/812668625.db2.gz CJBLAKYXUFNEBJ-RYUDHWBXSA-N 2 2 274.324 0.897 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[NH2+]CCO)c[nH+]1 ZINC001268691930 813014100 /nfs/dbraw/zinc/01/41/00/813014100.db2.gz RRRDVJLSHOFIEQ-JTQLQIEISA-N 2 2 268.361 0.013 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N[C@@H](C)C[NH2+]CCCO ZINC001268691826 813014127 /nfs/dbraw/zinc/01/41/27/813014127.db2.gz NJABHAFRPDIEQX-NSHDSACASA-N 2 2 281.356 0.109 20 0 CCADLP O=C(NC[C@@H]1CC[N@@H+](CCF)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001028639550 813093484 /nfs/dbraw/zinc/09/34/84/813093484.db2.gz YXAAFNXXHZMHRK-STQMWFEESA-N 2 2 294.374 0.853 20 0 CCADLP O=C(NC[C@@H]1CC[N@H+](CCF)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001028639550 813093493 /nfs/dbraw/zinc/09/34/93/813093493.db2.gz YXAAFNXXHZMHRK-STQMWFEESA-N 2 2 294.374 0.853 20 0 CCADLP C[NH+](C)CCN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000710765316 813229325 /nfs/dbraw/zinc/22/93/25/813229325.db2.gz FZOCBLBSWVYDED-YIONKMFJSA-N 3 2 266.433 0.449 20 0 CCADLP C[C@H](CC(=O)NCC1([NH2+]CCCO)CC1)n1cc[nH+]c1 ZINC001269496808 813394034 /nfs/dbraw/zinc/39/40/34/813394034.db2.gz BKTJBNPNXRIULL-GFCCVEGCSA-N 2 2 280.372 0.455 20 0 CCADLP Cc1cncc(C[NH2+]CCNC(=O)CCc2[nH]cc[nH+]2)c1 ZINC001126436781 813584189 /nfs/dbraw/zinc/58/41/89/813584189.db2.gz LWBQDYNQLANRGE-UHFFFAOYSA-N 2 2 287.367 0.952 20 0 CCADLP C[C@@H]1C[C@H](C[NH2+]CCNC(=O)CCc2[nH]cc[nH+]2)CCO1 ZINC001126437155 813584318 /nfs/dbraw/zinc/58/43/18/813584318.db2.gz UDPYPWDQSQZOEB-CHWSQXEVSA-N 2 2 294.399 0.863 20 0 CCADLP COCCCCC[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126447638 813632826 /nfs/dbraw/zinc/63/28/26/813632826.db2.gz IQOGSTHVNCLCGE-UHFFFAOYSA-N 2 2 282.388 0.865 20 0 CCADLP CC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001075745514 813697143 /nfs/dbraw/zinc/69/71/43/813697143.db2.gz KJJZHPVOYGPXQN-NWDGAFQWSA-N 2 2 262.357 0.895 20 0 CCADLP CC[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001075745514 813697147 /nfs/dbraw/zinc/69/71/47/813697147.db2.gz KJJZHPVOYGPXQN-NWDGAFQWSA-N 2 2 262.357 0.895 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+]CCF ZINC001167976613 813877542 /nfs/dbraw/zinc/87/75/42/813877542.db2.gz CPOHDZHFYBNIIP-SNVBAGLBSA-N 2 2 256.325 0.654 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+]CCF ZINC001167976613 813877551 /nfs/dbraw/zinc/87/75/51/813877551.db2.gz CPOHDZHFYBNIIP-SNVBAGLBSA-N 2 2 256.325 0.654 20 0 CCADLP CO[C@H](C)C[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001167977043 813878971 /nfs/dbraw/zinc/87/89/71/813878971.db2.gz GGEKGUHOGMKQDD-VXGBXAGGSA-N 2 2 282.388 0.719 20 0 CCADLP CO[C@H](C)C[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001167977043 813878985 /nfs/dbraw/zinc/87/89/85/813878985.db2.gz GGEKGUHOGMKQDD-VXGBXAGGSA-N 2 2 282.388 0.719 20 0 CCADLP CN1CC[NH+](CCCNc2ncnc3c2C[NH2+]CC3)CC1 ZINC001161700590 814169873 /nfs/dbraw/zinc/16/98/73/814169873.db2.gz LLYQLBOZGNGLLJ-UHFFFAOYSA-N 2 2 290.415 0.172 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CCF ZINC001087847792 814235253 /nfs/dbraw/zinc/23/52/53/814235253.db2.gz RIQQOCTURJBFSJ-NWDGAFQWSA-N 2 2 268.336 0.822 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CCF ZINC001087847792 814235260 /nfs/dbraw/zinc/23/52/60/814235260.db2.gz RIQQOCTURJBFSJ-NWDGAFQWSA-N 2 2 268.336 0.822 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CCF)CC[C@@H]3C2)C1 ZINC001087920643 814271203 /nfs/dbraw/zinc/27/12/03/814271203.db2.gz WPQFSSMBVLUVBG-RDBSUJKOSA-N 2 2 299.390 0.067 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](CCF)CC[C@@H]3C2)C1 ZINC001087920643 814271210 /nfs/dbraw/zinc/27/12/10/814271210.db2.gz WPQFSSMBVLUVBG-RDBSUJKOSA-N 2 2 299.390 0.067 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCF)CC[C@@H]3C2)C1 ZINC001087920643 814271219 /nfs/dbraw/zinc/27/12/19/814271219.db2.gz WPQFSSMBVLUVBG-RDBSUJKOSA-N 2 2 299.390 0.067 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](CCF)CC[C@@H]3C2)C1 ZINC001087920643 814271224 /nfs/dbraw/zinc/27/12/24/814271224.db2.gz WPQFSSMBVLUVBG-RDBSUJKOSA-N 2 2 299.390 0.067 20 0 CCADLP COCCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001271426966 814415267 /nfs/dbraw/zinc/41/52/67/814415267.db2.gz OFWIRTXARVTBTD-GXTWGEPZSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001271548742 814473077 /nfs/dbraw/zinc/47/30/77/814473077.db2.gz FTZWVMMQADKTHM-WCQYABFASA-N 2 2 294.399 0.734 20 0 CCADLP CC(=O)NCC[NH+]1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC001271898230 814624726 /nfs/dbraw/zinc/62/47/26/814624726.db2.gz BDSWSCUULINELT-CYBMUJFWSA-N 2 2 269.389 0.213 20 0 CCADLP C[N@@H+]1CCC12CN(C(=O)C1(C)CC[NH+](C)CC1)C2 ZINC001271927527 814633207 /nfs/dbraw/zinc/63/32/07/814633207.db2.gz ZDUWJJWWIPWEMF-UHFFFAOYSA-N 2 2 251.374 0.635 20 0 CCADLP C[N@H+]1CCC12CN(C(=O)C1(C)CC[NH+](C)CC1)C2 ZINC001271927527 814633210 /nfs/dbraw/zinc/63/32/10/814633210.db2.gz ZDUWJJWWIPWEMF-UHFFFAOYSA-N 2 2 251.374 0.635 20 0 CCADLP C[N@@H+]1CCC12CN(C(=O)[C@H]1CC[NH+]1C(C)(C)C)C2 ZINC001271976428 814658846 /nfs/dbraw/zinc/65/88/46/814658846.db2.gz UXIRNNILMYNJSP-LLVKDONJSA-N 2 2 251.374 0.776 20 0 CCADLP C[N@H+]1CCC12CN(C(=O)[C@H]1CC[NH+]1C(C)(C)C)C2 ZINC001271976428 814658852 /nfs/dbraw/zinc/65/88/52/814658852.db2.gz UXIRNNILMYNJSP-LLVKDONJSA-N 2 2 251.374 0.776 20 0 CCADLP C[NH+]1CCC12CN(C(=O)[C@H]1CC[N@@H+]1C(C)(C)C)C2 ZINC001271976428 814658857 /nfs/dbraw/zinc/65/88/57/814658857.db2.gz UXIRNNILMYNJSP-LLVKDONJSA-N 2 2 251.374 0.776 20 0 CCADLP C[NH+]1CCC12CN(C(=O)[C@H]1CC[N@H+]1C(C)(C)C)C2 ZINC001271976428 814658863 /nfs/dbraw/zinc/65/88/63/814658863.db2.gz UXIRNNILMYNJSP-LLVKDONJSA-N 2 2 251.374 0.776 20 0 CCADLP C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+]3C(C)(C)C)C[C@@H](C1)O2 ZINC001271976828 814659410 /nfs/dbraw/zinc/65/94/10/814659410.db2.gz ZXJCBQWPEXQVRZ-FRRDWIJNSA-N 2 2 281.400 0.401 20 0 CCADLP C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+]3C(C)(C)C)C[C@@H](C1)O2 ZINC001271976828 814659415 /nfs/dbraw/zinc/65/94/15/814659415.db2.gz ZXJCBQWPEXQVRZ-FRRDWIJNSA-N 2 2 281.400 0.401 20 0 CCADLP C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+]3C(C)(C)C)C[C@@H](C1)O2 ZINC001271976828 814659417 /nfs/dbraw/zinc/65/94/17/814659417.db2.gz ZXJCBQWPEXQVRZ-FRRDWIJNSA-N 2 2 281.400 0.401 20 0 CCADLP C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+]3C(C)(C)C)C[C@@H](C1)O2 ZINC001271976828 814659422 /nfs/dbraw/zinc/65/94/22/814659422.db2.gz ZXJCBQWPEXQVRZ-FRRDWIJNSA-N 2 2 281.400 0.401 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CC[C@@H]2CCCO2)C1 ZINC001030160736 815850550 /nfs/dbraw/zinc/85/05/50/815850550.db2.gz FXHDLYBJPZYTGQ-UONOGXRCSA-N 2 2 281.400 0.450 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)NC2C[NH+](CC3CCCC3)C2)C1 ZINC001030179853 815871853 /nfs/dbraw/zinc/87/18/53/815871853.db2.gz FLECQICQKRCXSU-AWEZNQCLSA-N 2 2 281.400 0.308 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)NC2C[NH+](CC3CCCC3)C2)C1 ZINC001030179853 815871860 /nfs/dbraw/zinc/87/18/60/815871860.db2.gz FLECQICQKRCXSU-AWEZNQCLSA-N 2 2 281.400 0.308 20 0 CCADLP CC[NH+]1CC(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001030306764 815969807 /nfs/dbraw/zinc/96/98/07/815969807.db2.gz ZMCCXILHUBUVRF-WCQYABFASA-N 2 2 251.374 0.681 20 0 CCADLP CC[NH+]1CC(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001030306764 815969811 /nfs/dbraw/zinc/96/98/11/815969811.db2.gz ZMCCXILHUBUVRF-WCQYABFASA-N 2 2 251.374 0.681 20 0 CCADLP C[C@@H]1[C@H](C(=O)NC2C[NH+](CCCF)C2)CC[N@@H+]1C ZINC001030335359 815979504 /nfs/dbraw/zinc/97/95/04/815979504.db2.gz ULYHZTLFEKJDNF-ZYHUDNBSSA-N 2 2 257.353 0.487 20 0 CCADLP C[C@@H]1[C@H](C(=O)NC2C[NH+](CCCF)C2)CC[N@H+]1C ZINC001030335359 815979510 /nfs/dbraw/zinc/97/95/10/815979510.db2.gz ULYHZTLFEKJDNF-ZYHUDNBSSA-N 2 2 257.353 0.487 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001030433092 816037284 /nfs/dbraw/zinc/03/72/84/816037284.db2.gz VFPSEYXSZOSQGY-KGLIPLIRSA-N 2 2 297.443 0.800 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001030433092 816037289 /nfs/dbraw/zinc/03/72/89/816037289.db2.gz VFPSEYXSZOSQGY-KGLIPLIRSA-N 2 2 297.443 0.800 20 0 CCADLP CC[NH+]1CC(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001030520057 816083678 /nfs/dbraw/zinc/08/36/78/816083678.db2.gz SGPXVUPORBQANM-QWHCGFSZSA-N 2 2 251.374 0.824 20 0 CCADLP CC[NH+]1CC(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001030520057 816083681 /nfs/dbraw/zinc/08/36/81/816083681.db2.gz SGPXVUPORBQANM-QWHCGFSZSA-N 2 2 251.374 0.824 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](C[C@@H]2CCCOC2)C1 ZINC001030535124 816091270 /nfs/dbraw/zinc/09/12/70/816091270.db2.gz KXALPBMLLFBFHT-DZGCQCFKSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](C[C@@H]2CCCOC2)C1 ZINC001030535124 816091277 /nfs/dbraw/zinc/09/12/77/816091277.db2.gz KXALPBMLLFBFHT-DZGCQCFKSA-N 2 2 295.427 0.698 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001030594864 816132455 /nfs/dbraw/zinc/13/24/55/816132455.db2.gz SNOGJKLTRMLNGK-JSGCOSHPSA-N 2 2 283.416 0.288 20 0 CCADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001030594864 816132459 /nfs/dbraw/zinc/13/24/59/816132459.db2.gz SNOGJKLTRMLNGK-JSGCOSHPSA-N 2 2 283.416 0.288 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001030737684 816257962 /nfs/dbraw/zinc/25/79/62/816257962.db2.gz GVTOHRNJYROHJX-SWLSCSKDSA-N 2 2 295.427 0.696 20 0 CCADLP COCCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001272308366 816293608 /nfs/dbraw/zinc/29/36/08/816293608.db2.gz AGVWPYWLZQQKLP-GXTWGEPZSA-N 2 2 294.399 0.863 20 0 CCADLP CCC[N@@H+]1CCC[C@@H](C(=O)NC2C[NH+](CCCO)C2)C1 ZINC001030823478 816319673 /nfs/dbraw/zinc/31/96/73/816319673.db2.gz BGKWOSCBIGUMGP-CYBMUJFWSA-N 2 2 283.416 0.291 20 0 CCADLP CCC[N@H+]1CCC[C@@H](C(=O)NC2C[NH+](CCCO)C2)C1 ZINC001030823478 816319678 /nfs/dbraw/zinc/31/96/78/816319678.db2.gz BGKWOSCBIGUMGP-CYBMUJFWSA-N 2 2 283.416 0.291 20 0 CCADLP CCCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001272452264 816440898 /nfs/dbraw/zinc/44/08/98/816440898.db2.gz HOOXJTXQLJWYSK-GXTWGEPZSA-N 2 2 294.399 0.312 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1C[NH+](CCOC2CCC2)C1 ZINC001030963241 816510260 /nfs/dbraw/zinc/51/02/60/816510260.db2.gz LKYFSVRWXGVLGS-WFASDCNBSA-N 2 2 295.427 0.554 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1C[NH+](CCOC2CCC2)C1 ZINC001030963241 816510264 /nfs/dbraw/zinc/51/02/64/816510264.db2.gz LKYFSVRWXGVLGS-WFASDCNBSA-N 2 2 295.427 0.554 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)NCC[NH2+]CCF)ccn12 ZINC001127293285 816645805 /nfs/dbraw/zinc/64/58/05/816645805.db2.gz SSWBKPQSRDLWBM-UHFFFAOYSA-N 2 2 264.304 0.932 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001031143234 816695646 /nfs/dbraw/zinc/69/56/46/816695646.db2.gz MTBDOVXHQYNSSY-ZDUSSCGKSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C[NH2+]CCO ZINC001106278532 816710737 /nfs/dbraw/zinc/71/07/37/816710737.db2.gz FQRRZBDKXICTBS-FDYHWXHSSA-N 2 2 292.383 0.190 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCO ZINC001106278532 816710743 /nfs/dbraw/zinc/71/07/43/816710743.db2.gz FQRRZBDKXICTBS-FDYHWXHSSA-N 2 2 292.383 0.190 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106704873 816859298 /nfs/dbraw/zinc/85/92/98/816859298.db2.gz GPZNEMHKJIGDMT-GRYCIOLGSA-N 2 2 280.372 0.017 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)NC2C[NH+](C[C@@H]3CCCCO3)C2)C1 ZINC001031385116 817021602 /nfs/dbraw/zinc/02/16/02/817021602.db2.gz VDHPMKNMRHPMOA-JSGCOSHPSA-N 2 2 281.400 0.308 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)NC2C[NH+](C[C@@H]3CCCCO3)C2)C1 ZINC001031385116 817021606 /nfs/dbraw/zinc/02/16/06/817021606.db2.gz VDHPMKNMRHPMOA-JSGCOSHPSA-N 2 2 281.400 0.308 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001031440272 817056990 /nfs/dbraw/zinc/05/69/90/817056990.db2.gz TVDCXNUFJCTXAX-AAEUAGOBSA-N 2 2 269.389 0.042 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001031440272 817056999 /nfs/dbraw/zinc/05/69/99/817056999.db2.gz TVDCXNUFJCTXAX-AAEUAGOBSA-N 2 2 269.389 0.042 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC1C[NH+](C[C@@H]2C[C@]23CCOC3)C1 ZINC001031477335 817074518 /nfs/dbraw/zinc/07/45/18/817074518.db2.gz ZYIMPIPSRNLZMM-WFASDCNBSA-N 2 2 290.367 0.110 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001031666268 817229615 /nfs/dbraw/zinc/22/96/15/817229615.db2.gz LUVOGQDBRUPLDV-ZDUSSCGKSA-N 2 2 271.380 0.877 20 0 CCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001031666268 817229620 /nfs/dbraw/zinc/22/96/20/817229620.db2.gz LUVOGQDBRUPLDV-ZDUSSCGKSA-N 2 2 271.380 0.877 20 0 CCADLP O=C(NCC1C[NH+](CCF)C1)c1ccn2c[nH+]cc2c1 ZINC001031817300 817393649 /nfs/dbraw/zinc/39/36/49/817393649.db2.gz YZFXCSLYDKOTRB-UHFFFAOYSA-N 2 2 276.315 0.965 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C)c1csnn1 ZINC001124877159 817611195 /nfs/dbraw/zinc/61/11/95/817611195.db2.gz CZETVDIHKOBEGW-MWLCHTKSSA-N 2 2 283.401 0.399 20 0 CCADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCC[NH2+]CC2CC2)[nH]n1 ZINC001127772462 817852884 /nfs/dbraw/zinc/85/28/84/817852884.db2.gz IYCYWTHMMWHGOL-CQSZACIVSA-N 2 2 291.399 0.906 20 0 CCADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCC[NH2+]CC2CC2)[nH]n1 ZINC001127772462 817852893 /nfs/dbraw/zinc/85/28/93/817852893.db2.gz IYCYWTHMMWHGOL-CQSZACIVSA-N 2 2 291.399 0.906 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@@H]([NH2+]CCO)C12CCC2 ZINC001078796424 818050976 /nfs/dbraw/zinc/05/09/76/818050976.db2.gz ZVPFDVLLCSRUFM-OLZOCXBDSA-N 2 2 292.383 0.270 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2nnc(Cl)cc2N)CC1 ZINC001168736129 818540421 /nfs/dbraw/zinc/54/04/21/818540421.db2.gz KEMMNBORVZAQMC-UHFFFAOYSA-N 2 2 269.740 0.306 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(=S)[nH]c2)CC1 ZINC001168736111 818543470 /nfs/dbraw/zinc/54/34/70/818543470.db2.gz BGUOUXLUITWQPN-UHFFFAOYSA-N 2 2 251.359 0.964 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ncc(OCC3CC3)cn2)CC1 ZINC001168736687 818549502 /nfs/dbraw/zinc/54/95/02/818549502.db2.gz PJEXMZVKCBWTJQ-UHFFFAOYSA-N 2 2 290.371 0.859 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc([S@](C)=O)cn2)CC1 ZINC001168741267 818609970 /nfs/dbraw/zinc/60/99/70/818609970.db2.gz VGABCBDBTFPZLV-IBGZPJMESA-N 2 2 281.385 0.413 20 0 CCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC001033456755 818783919 /nfs/dbraw/zinc/78/39/19/818783919.db2.gz ZYILIVJBHUPNJP-OCCSQVGLSA-N 2 2 292.383 0.521 20 0 CCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001033456755 818783925 /nfs/dbraw/zinc/78/39/25/818783925.db2.gz ZYILIVJBHUPNJP-OCCSQVGLSA-N 2 2 292.383 0.521 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033703791 818891422 /nfs/dbraw/zinc/89/14/22/818891422.db2.gz IACRFFNSUOJUDV-STQMWFEESA-N 2 2 280.372 0.451 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033703791 818891427 /nfs/dbraw/zinc/89/14/27/818891427.db2.gz IACRFFNSUOJUDV-STQMWFEESA-N 2 2 280.372 0.451 20 0 CCADLP CC[C@H](C[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1)OC ZINC001033704481 818892755 /nfs/dbraw/zinc/89/27/55/818892755.db2.gz VTFGDYYGTDDAAA-UONOGXRCSA-N 2 2 294.399 0.841 20 0 CCADLP CC[C@H](C[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1)OC ZINC001033704481 818892758 /nfs/dbraw/zinc/89/27/58/818892758.db2.gz VTFGDYYGTDDAAA-UONOGXRCSA-N 2 2 294.399 0.841 20 0 CCADLP CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001033788580 818936108 /nfs/dbraw/zinc/93/61/08/818936108.db2.gz HVZCBLMCSDPBSE-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001033788580 818936115 /nfs/dbraw/zinc/93/61/15/818936115.db2.gz HVZCBLMCSDPBSE-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001033788580 818936119 /nfs/dbraw/zinc/93/61/19/818936119.db2.gz HVZCBLMCSDPBSE-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001033788580 818936124 /nfs/dbraw/zinc/93/61/24/818936124.db2.gz HVZCBLMCSDPBSE-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001034800997 819333057 /nfs/dbraw/zinc/33/30/57/819333057.db2.gz CFHJSQFSKJYNCO-JHJVBQTASA-N 2 2 280.372 0.281 20 0 CCADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(N)nn3)CC[C@H]21 ZINC000703949317 819339596 /nfs/dbraw/zinc/33/95/96/819339596.db2.gz GDGSHLBFPSTXMT-DGCLKSJQSA-N 2 2 261.373 0.975 20 0 CCADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(N)nn3)CC[C@H]21 ZINC000703949317 819339602 /nfs/dbraw/zinc/33/96/02/819339602.db2.gz GDGSHLBFPSTXMT-DGCLKSJQSA-N 2 2 261.373 0.975 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(N)nn3)CC[C@H]21 ZINC000703949317 819339608 /nfs/dbraw/zinc/33/96/08/819339608.db2.gz GDGSHLBFPSTXMT-DGCLKSJQSA-N 2 2 261.373 0.975 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(N)nn3)CC[C@H]21 ZINC000703949317 819339612 /nfs/dbraw/zinc/33/96/12/819339612.db2.gz GDGSHLBFPSTXMT-DGCLKSJQSA-N 2 2 261.373 0.975 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]1C[NH2+]CC1CC1 ZINC001035142054 819401095 /nfs/dbraw/zinc/40/10/95/819401095.db2.gz ORRFGVLCOPTLIS-CYBMUJFWSA-N 2 2 262.357 0.874 20 0 CCADLP C[NH+](C)C[C@H](N)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000705320090 819475049 /nfs/dbraw/zinc/47/50/49/819475049.db2.gz OVVPXCAVNFFHIC-HNNXBMFYSA-N 2 2 290.411 0.220 20 0 CCADLP C[C@@]1(C[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)CCC[NH2+]C1 ZINC000705602145 819526797 /nfs/dbraw/zinc/52/67/97/819526797.db2.gz PVCUUFCIEAZYTI-QWHCGFSZSA-N 2 2 289.445 0.390 20 0 CCADLP C[C@@]1(C[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)CCC[NH2+]C1 ZINC000705602145 819526798 /nfs/dbraw/zinc/52/67/98/819526798.db2.gz PVCUUFCIEAZYTI-QWHCGFSZSA-N 2 2 289.445 0.390 20 0 CCADLP COCC[NH+]1CC2(C1)CCN(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC001035822902 819629668 /nfs/dbraw/zinc/62/96/68/819629668.db2.gz PZAWIKVTNRWFDL-UHFFFAOYSA-N 2 2 292.383 0.523 20 0 CCADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1[NH2+]CCF ZINC001036264381 819717692 /nfs/dbraw/zinc/71/76/92/819717692.db2.gz SSYXOPYLKPXNIS-WCQYABFASA-N 2 2 282.363 0.759 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[C@@H]1[NH2+]CCO ZINC001036275863 819722574 /nfs/dbraw/zinc/72/25/74/819722574.db2.gz KVVHHPSZNKWNRE-OCCSQVGLSA-N 2 2 294.399 0.172 20 0 CCADLP OC[C@@H]1C[N@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC000709808984 819811040 /nfs/dbraw/zinc/81/10/40/819811040.db2.gz KMKMCFHRBCKWBO-SDDRHHMPSA-N 2 2 296.333 0.546 20 0 CCADLP OC[C@@H]1C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC000709808984 819811049 /nfs/dbraw/zinc/81/10/49/819811049.db2.gz KMKMCFHRBCKWBO-SDDRHHMPSA-N 2 2 296.333 0.546 20 0 CCADLP Cc1cnc(C[NH+]2CCC(O)(C[NH+](C)C)CC2)nc1 ZINC000710606916 819856329 /nfs/dbraw/zinc/85/63/29/819856329.db2.gz LZYUIZIREKAWIS-UHFFFAOYSA-N 2 2 264.373 0.674 20 0 CCADLP C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000711672607 820069430 /nfs/dbraw/zinc/06/94/30/820069430.db2.gz FDTXCCSYOCZPML-XYTAGDGMSA-N 2 2 272.414 0.634 20 0 CCADLP C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000711672607 820069441 /nfs/dbraw/zinc/06/94/41/820069441.db2.gz FDTXCCSYOCZPML-XYTAGDGMSA-N 2 2 272.414 0.634 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001080852385 820646431 /nfs/dbraw/zinc/64/64/31/820646431.db2.gz ARBQDCIDFGPPOM-BXKDBHETSA-N 2 2 250.346 0.717 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001080852385 820646435 /nfs/dbraw/zinc/64/64/35/820646435.db2.gz ARBQDCIDFGPPOM-BXKDBHETSA-N 2 2 250.346 0.717 20 0 CCADLP C[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080943233 820658276 /nfs/dbraw/zinc/65/82/76/820658276.db2.gz XDSOXCDFXQKZNC-VXGBXAGGSA-N 2 2 257.353 0.488 20 0 CCADLP C[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080943233 820658281 /nfs/dbraw/zinc/65/82/81/820658281.db2.gz XDSOXCDFXQKZNC-VXGBXAGGSA-N 2 2 257.353 0.488 20 0 CCADLP CO[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081694352 820817685 /nfs/dbraw/zinc/81/76/85/820817685.db2.gz YFYDQWRFGFPMCV-FDYHWXHSSA-N 2 2 287.379 0.112 20 0 CCADLP CO[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081694352 820817697 /nfs/dbraw/zinc/81/76/97/820817697.db2.gz YFYDQWRFGFPMCV-FDYHWXHSSA-N 2 2 287.379 0.112 20 0 CCADLP CO[C@@H]1C[NH+](CCF)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001081694352 820817707 /nfs/dbraw/zinc/81/77/07/820817707.db2.gz YFYDQWRFGFPMCV-FDYHWXHSSA-N 2 2 287.379 0.112 20 0 CCADLP CO[C@@H]1C[NH+](CCF)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001081694352 820817718 /nfs/dbraw/zinc/81/77/18/820817718.db2.gz YFYDQWRFGFPMCV-FDYHWXHSSA-N 2 2 287.379 0.112 20 0 CCADLP CO[C@@H]1C[N@@H+](C(C)C)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001082345958 820938430 /nfs/dbraw/zinc/93/84/30/820938430.db2.gz JGCSTUJUJBIDOK-CHWSQXEVSA-N 2 2 280.372 0.484 20 0 CCADLP CO[C@@H]1C[N@H+](C(C)C)C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001082345958 820938434 /nfs/dbraw/zinc/93/84/34/820938434.db2.gz JGCSTUJUJBIDOK-CHWSQXEVSA-N 2 2 280.372 0.484 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001099809653 821335549 /nfs/dbraw/zinc/33/55/49/821335549.db2.gz KRFYUVLCMHYQQD-VXGBXAGGSA-N 2 2 280.372 0.304 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001099809653 821335558 /nfs/dbraw/zinc/33/55/58/821335558.db2.gz KRFYUVLCMHYQQD-VXGBXAGGSA-N 2 2 280.372 0.304 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001084866143 821414597 /nfs/dbraw/zinc/41/45/97/821414597.db2.gz CTIZKHFXGCIKAK-BFHYXJOUSA-N 2 2 292.383 0.451 20 0 CCADLP CCC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CCO1 ZINC001273292533 821553551 /nfs/dbraw/zinc/55/35/51/821553551.db2.gz WZIZXOWDKAGVHC-CYBMUJFWSA-N 2 2 294.399 0.580 20 0 CCADLP CC[N@H+](CCO)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001098388960 821845388 /nfs/dbraw/zinc/84/53/88/821845388.db2.gz UUJBLIHLLYAMJG-UHFFFAOYSA-N 2 2 294.399 0.648 20 0 CCADLP CC[N@@H+](CCO)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001098388960 821845395 /nfs/dbraw/zinc/84/53/95/821845395.db2.gz UUJBLIHLLYAMJG-UHFFFAOYSA-N 2 2 294.399 0.648 20 0 CCADLP CC[N@H+](CCO)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001098388960 821845398 /nfs/dbraw/zinc/84/53/98/821845398.db2.gz UUJBLIHLLYAMJG-UHFFFAOYSA-N 2 2 294.399 0.648 20 0 CCADLP CC[N@@H+](CCO)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001098388960 821845405 /nfs/dbraw/zinc/84/54/05/821845405.db2.gz UUJBLIHLLYAMJG-UHFFFAOYSA-N 2 2 294.399 0.648 20 0 CCADLP O=C(NC[C@H]1C[C@H]([NH2+]CCF)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001086404952 822242490 /nfs/dbraw/zinc/24/24/90/822242490.db2.gz VDGFYOKKSUXFSA-AVGNSLFASA-N 2 2 294.374 0.899 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)[C@@H](C2CC2)[NH+](C)C)o1 ZINC001129436062 837509229 /nfs/dbraw/zinc/50/92/29/837509229.db2.gz LUWDNIAVEUCIMK-CQSZACIVSA-N 2 2 294.399 0.783 20 0 CCADLP C[NH+](C)[C@H](C(=O)NCC[NH2+]Cc1nncs1)C1CC1 ZINC001129443478 837511617 /nfs/dbraw/zinc/51/16/17/837511617.db2.gz KJYLFEQZGNCDGA-NSHDSACASA-N 2 2 283.401 0.084 20 0 CCADLP Cc1ccnc(C[NH2+]CCNC(=O)[C@H](C2CC2)[NH+](C)C)n1 ZINC001129437208 837511919 /nfs/dbraw/zinc/51/19/19/837511919.db2.gz XSQBMGALRHJGRZ-AWEZNQCLSA-N 2 2 291.399 0.331 20 0 CCADLP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]Cc1csnn1 ZINC001129856701 837570313 /nfs/dbraw/zinc/57/03/13/837570313.db2.gz WCVQWSFGBDYTJU-LBPRGKRZSA-N 2 2 297.428 0.618 20 0 CCADLP C[N@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]Cc1csnn1 ZINC001129856701 837570316 /nfs/dbraw/zinc/57/03/16/837570316.db2.gz WCVQWSFGBDYTJU-LBPRGKRZSA-N 2 2 297.428 0.618 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCC[NH2+]CCC[C@H](C)O)c[nH+]1 ZINC001130164570 837711105 /nfs/dbraw/zinc/71/11/05/837711105.db2.gz BBUQQIBUIRCMMG-ZDUSSCGKSA-N 2 2 296.415 0.793 20 0 CCADLP O=C(NCC[NH2+]C/C=C\Cl)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130407844 837787287 /nfs/dbraw/zinc/78/72/87/837787287.db2.gz YYXZFXBQSFWWKQ-NNRVYMOVSA-N 2 2 282.775 0.904 20 0 CCADLP CC[C@@H](F)C[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130404903 837787362 /nfs/dbraw/zinc/78/73/62/837787362.db2.gz RTBBXDBDOCIQAE-VXGBXAGGSA-N 2 2 282.363 0.899 20 0 CCADLP COC[C@H](C)[NH2+]CCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001130490742 837810351 /nfs/dbraw/zinc/81/03/51/837810351.db2.gz HJYSFSJDQCUTBC-JQWIXIFHSA-N 2 2 294.399 0.564 20 0 CCADLP COC[C@H](C)[NH2+]CCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001130490742 837810363 /nfs/dbraw/zinc/81/03/63/837810363.db2.gz HJYSFSJDQCUTBC-JQWIXIFHSA-N 2 2 294.399 0.564 20 0 CCADLP COCCC[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130487015 837807750 /nfs/dbraw/zinc/80/77/50/837807750.db2.gz AZUADKQVNDGZTI-LBPRGKRZSA-N 2 2 280.372 0.188 20 0 CCADLP C[C@H](F)CC[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130488855 837809905 /nfs/dbraw/zinc/80/99/05/837809905.db2.gz YGVCGEGZPVSFKP-RYUDHWBXSA-N 2 2 282.363 0.899 20 0 CCADLP CCC[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001130497067 837831158 /nfs/dbraw/zinc/83/11/58/837831158.db2.gz XFEVTCBHZLUXIQ-LLVKDONJSA-N 2 2 264.373 0.939 20 0 CCADLP CCC[NH2+]CCNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001130497067 837831170 /nfs/dbraw/zinc/83/11/70/837831170.db2.gz XFEVTCBHZLUXIQ-LLVKDONJSA-N 2 2 264.373 0.939 20 0 CCADLP C[C@H]1C[N@H+](Cc2cn3c(n2)C[NH2+]CC3)CCC[C@@H]1C[NH3+] ZINC001205994878 836031354 /nfs/dbraw/zinc/03/13/54/836031354.db2.gz MVRYDEOYWKTJCZ-QWHCGFSZSA-N 3 2 277.416 0.793 20 0 CCADLP C[C@H]1C[N@@H+](Cc2cn3c(n2)C[NH2+]CC3)CCC[C@@H]1C[NH3+] ZINC001205994878 836031367 /nfs/dbraw/zinc/03/13/67/836031367.db2.gz MVRYDEOYWKTJCZ-QWHCGFSZSA-N 3 2 277.416 0.793 20 0 CCADLP CC(C)c1ncc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cn1 ZINC001169076835 836118767 /nfs/dbraw/zinc/11/87/67/836118767.db2.gz ZLKIDGCXTFTNMF-SNVBAGLBSA-N 2 2 261.329 0.648 20 0 CCADLP Cc1cc(NC2CC2)nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169067076 836122655 /nfs/dbraw/zinc/12/26/55/836122655.db2.gz NZROVRIBQPCZSH-SNVBAGLBSA-N 2 2 288.355 0.407 20 0 CCADLP CSc1ncc(C)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169067828 836124430 /nfs/dbraw/zinc/12/44/30/836124430.db2.gz ZGJKOHKBCIPGRT-SECBINFHSA-N 2 2 279.369 0.555 20 0 CCADLP CN(C)C(=O)c1cccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1 ZINC001169072960 836125581 /nfs/dbraw/zinc/12/55/81/836125581.db2.gz VQDASGUYYIXPHM-GFCCVEGCSA-N 2 2 288.351 0.436 20 0 CCADLP COC(=O)c1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cc1C ZINC001169074224 836126833 /nfs/dbraw/zinc/12/68/33/836126833.db2.gz GVYSPLIXZDENJB-SNVBAGLBSA-N 2 2 290.323 0.224 20 0 CCADLP CCc1nnc2ccc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)cn21 ZINC001169074560 836127250 /nfs/dbraw/zinc/12/72/50/836127250.db2.gz RJEGBIPVSPOQNR-SNVBAGLBSA-N 2 2 286.339 0.340 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2ccncc2n1 ZINC001169074796 836128466 /nfs/dbraw/zinc/12/84/66/836128466.db2.gz OKFRADPSWGIIDA-LLVKDONJSA-N 2 2 269.308 0.678 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2c(c1)NC(=O)CC2 ZINC001169075109 836128813 /nfs/dbraw/zinc/12/88/13/836128813.db2.gz VKMXSKZDEWHNEV-LLVKDONJSA-N 2 2 286.335 0.619 20 0 CCADLP Cn1ccc2ncc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)cc21 ZINC001169074776 836129057 /nfs/dbraw/zinc/12/90/57/836129057.db2.gz NOGQSOUOWWQJBG-SNVBAGLBSA-N 2 2 271.324 0.621 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Nc2c[nH+]c(N(C)C)cc2C)C[NH2+]1 ZINC001169129658 836145807 /nfs/dbraw/zinc/14/58/07/836145807.db2.gz BZDXVFAMRHYLOY-MNOVXSKESA-N 2 2 278.356 0.771 20 0 CCADLP COC(=O)CN1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169141898 836151360 /nfs/dbraw/zinc/15/13/60/836151360.db2.gz SRWJNGVAUVBMBE-WDNDVIMCSA-N 2 2 281.400 0.402 20 0 CCADLP COC(=O)CN1CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169141898 836151363 /nfs/dbraw/zinc/15/13/63/836151363.db2.gz SRWJNGVAUVBMBE-WDNDVIMCSA-N 2 2 281.400 0.402 20 0 CCADLP CN1CCC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1=O ZINC001169140953 836152553 /nfs/dbraw/zinc/15/25/53/836152553.db2.gz NBYCUFJTOCFWDR-ITGUQSILSA-N 2 2 251.374 0.776 20 0 CCADLP CN1CCC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1=O ZINC001169140953 836152555 /nfs/dbraw/zinc/15/25/55/836152555.db2.gz NBYCUFJTOCFWDR-ITGUQSILSA-N 2 2 251.374 0.776 20 0 CCADLP CN1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1=O ZINC001169140953 836152561 /nfs/dbraw/zinc/15/25/61/836152561.db2.gz NBYCUFJTOCFWDR-ITGUQSILSA-N 2 2 251.374 0.776 20 0 CCADLP CN1CCC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1=O ZINC001169140953 836152565 /nfs/dbraw/zinc/15/25/65/836152565.db2.gz NBYCUFJTOCFWDR-ITGUQSILSA-N 2 2 251.374 0.776 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]CC1CCC1 ZINC001169211655 836160731 /nfs/dbraw/zinc/16/07/31/836160731.db2.gz JQRPLQCTFKUFAW-UHFFFAOYSA-N 2 2 250.346 0.848 20 0 CCADLP CC[NH+]1CCC([NH2+]C2CN(c3ncccn3)C2)CC1 ZINC001169229932 836165050 /nfs/dbraw/zinc/16/50/50/836165050.db2.gz LTQMKKPZEFBZIS-UHFFFAOYSA-N 2 2 261.373 0.739 20 0 CCADLP C[C@@H]1C[C@H](C[NH2+]CCCNC(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001169204521 836168273 /nfs/dbraw/zinc/16/82/73/836168273.db2.gz NPPOFUCTJWVIIX-CHWSQXEVSA-N 2 2 294.399 0.863 20 0 CCADLP CC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[N@H+](CC3CCOCC3)C2)C1 ZINC001169513276 836316943 /nfs/dbraw/zinc/31/69/43/836316943.db2.gz LGAONOBHMJOQBN-HZPDHXFCSA-N 2 2 295.427 0.698 20 0 CCADLP CC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CCOCC3)C2)C1 ZINC001169513276 836316955 /nfs/dbraw/zinc/31/69/55/836316955.db2.gz LGAONOBHMJOQBN-HZPDHXFCSA-N 2 2 295.427 0.698 20 0 CCADLP Cn1cccc1C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001203270544 844151272 /nfs/dbraw/zinc/15/12/72/844151272.db2.gz KMDARCHOUWXLGZ-CYBMUJFWSA-N 2 2 278.400 0.667 20 0 CCADLP Cn1cccc1C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001203270544 844151278 /nfs/dbraw/zinc/15/12/78/844151278.db2.gz KMDARCHOUWXLGZ-CYBMUJFWSA-N 2 2 278.400 0.667 20 0 CCADLP COCC[N@H+]([C@@H]1CCN(C(C)=O)C1)C1CC[NH+](C)CC1 ZINC001169552149 836342802 /nfs/dbraw/zinc/34/28/02/836342802.db2.gz MOHCQIABAMAZBY-OAHLLOKOSA-N 2 2 283.416 0.650 20 0 CCADLP COCC[N@@H+]([C@@H]1CCN(C(C)=O)C1)C1CC[NH+](C)CC1 ZINC001169552149 836342816 /nfs/dbraw/zinc/34/28/16/836342816.db2.gz MOHCQIABAMAZBY-OAHLLOKOSA-N 2 2 283.416 0.650 20 0 CCADLP CCOC(=O)N1CCC[C@@H]([NH2+][C@@H]2COC[C@H]2[NH3+])CC1 ZINC001169653147 836407750 /nfs/dbraw/zinc/40/77/50/836407750.db2.gz UYXJXLSUNMUJIR-IJLUTSLNSA-N 2 2 271.361 0.313 20 0 CCADLP [NH3+][C@@H]1COC[C@H]1[NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169727745 836432675 /nfs/dbraw/zinc/43/26/75/836432675.db2.gz GZFTVEBYHYSCLI-RRFJBIMHSA-N 2 2 289.379 0.607 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)C2([NH+](C)C)CCC2)s1 ZINC001129351871 836493474 /nfs/dbraw/zinc/49/34/74/836493474.db2.gz RFGXUAQTBCRJSC-UHFFFAOYSA-N 2 2 297.428 0.537 20 0 CCADLP CC(C)N(C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)C(C)C ZINC001157458840 837021138 /nfs/dbraw/zinc/02/11/38/837021138.db2.gz QTRLJVDKDNWMNR-LBPRGKRZSA-N 2 2 252.362 0.935 20 0 CCADLP O=C(N1CC2(C1)CC(F)(F)C2)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157522043 837082097 /nfs/dbraw/zinc/08/20/97/837082097.db2.gz PGWCUJMAFYYFAT-RNCFNFMXSA-N 2 2 271.311 0.196 20 0 CCADLP CC[N@H+](C)CCC(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC001113495453 837134190 /nfs/dbraw/zinc/13/41/90/837134190.db2.gz HKMGMTQVPOQLSB-UHFFFAOYSA-N 2 2 293.415 0.369 20 0 CCADLP CC[N@@H+](C)CCC(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC001113495453 837134196 /nfs/dbraw/zinc/13/41/96/837134196.db2.gz HKMGMTQVPOQLSB-UHFFFAOYSA-N 2 2 293.415 0.369 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[NH+](CCC[C@H](C)O)CC1 ZINC001113582058 837171505 /nfs/dbraw/zinc/17/15/05/837171505.db2.gz XALYWZZDWXDCMY-LBPRGKRZSA-N 2 2 294.399 0.566 20 0 CCADLP C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C[NH2+]CCO ZINC001184532527 844252645 /nfs/dbraw/zinc/25/26/45/844252645.db2.gz AMGNBUJSOGJHEX-QWHCGFSZSA-N 2 2 294.399 0.409 20 0 CCADLP C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C[NH2+]CCO ZINC001184532527 844252653 /nfs/dbraw/zinc/25/26/53/844252653.db2.gz AMGNBUJSOGJHEX-QWHCGFSZSA-N 2 2 294.399 0.409 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CCOCC(F)(F)C2)cc1 ZINC001157708567 837268635 /nfs/dbraw/zinc/26/86/35/837268635.db2.gz WLCWYXPUWODEIY-LBPRGKRZSA-N 2 2 299.321 0.753 20 0 CCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1C[C@H]2[C@H](CC2(F)F)C1 ZINC001158192665 837967994 /nfs/dbraw/zinc/96/79/94/837967994.db2.gz CWSVYGYVJAGNOO-HPENLJRUSA-N 2 2 271.311 0.050 20 0 CCADLP O=C(NCC[NH2+]Cc1cnon1)c1ccc2c[nH+]cn2c1 ZINC001131374467 838072786 /nfs/dbraw/zinc/07/27/86/838072786.db2.gz BDTHPJZRPUKRND-UHFFFAOYSA-N 2 2 286.295 0.237 20 0 CCADLP COC[C@H](O)C[NH2+]CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001131560190 838141648 /nfs/dbraw/zinc/14/16/48/838141648.db2.gz BDJVMHZRPHDJID-CYBMUJFWSA-N 2 2 295.383 0.334 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]CCCF ZINC001131639181 838163196 /nfs/dbraw/zinc/16/31/96/838163196.db2.gz AUIUVGQBDBHFPL-UHFFFAOYSA-N 2 2 256.325 0.418 20 0 CCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1C[NH2+]CCO ZINC001184901762 844307877 /nfs/dbraw/zinc/30/78/77/844307877.db2.gz FAMKTTGOJSKZIJ-ZIAGYGMSSA-N 2 2 294.399 0.340 20 0 CCADLP COCCCCC[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132082298 838314252 /nfs/dbraw/zinc/31/42/52/838314252.db2.gz KVKSVULBOFWROK-UHFFFAOYSA-N 2 2 282.388 0.796 20 0 CCADLP C[C@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@@H+]1CCCO ZINC001132090778 838316381 /nfs/dbraw/zinc/31/63/81/838316381.db2.gz MCLVTWKUCJJUAL-GXTWGEPZSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@H]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@H+]1CCCO ZINC001132090778 838316387 /nfs/dbraw/zinc/31/63/87/838316387.db2.gz MCLVTWKUCJJUAL-GXTWGEPZSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@H]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@@H+]1CCCO ZINC001132090778 838316394 /nfs/dbraw/zinc/31/63/94/838316394.db2.gz MCLVTWKUCJJUAL-GXTWGEPZSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@H]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@H+]1CCCO ZINC001132090778 838316400 /nfs/dbraw/zinc/31/64/00/838316400.db2.gz MCLVTWKUCJJUAL-GXTWGEPZSA-N 2 2 294.399 0.694 20 0 CCADLP Cc1nc(-n2cncn2)cc(N2CCC[C@@](C)(C[NH3+])C2)[nH+]1 ZINC001158685056 838467048 /nfs/dbraw/zinc/46/70/48/838467048.db2.gz UPFBUWVVUPHORR-AWEZNQCLSA-N 2 2 287.371 0.931 20 0 CCADLP C[N@@H+](CC(=O)NCC[NH2+]Cc1csnn1)CC(C)(C)C ZINC001133899501 838775986 /nfs/dbraw/zinc/77/59/86/838775986.db2.gz JKHWHIDASGZQDY-UHFFFAOYSA-N 2 2 299.444 0.722 20 0 CCADLP CC[C@@H](C(=O)NCC[NH2+]Cc1cnsn1)[NH+](C)C ZINC001133965642 838794925 /nfs/dbraw/zinc/79/49/25/838794925.db2.gz CLGWTXZCMGXYDL-JTQLQIEISA-N 2 2 271.390 0.084 20 0 CCADLP CC[C@@H](C(=O)NCC[NH2+]Cc1nccc(C)n1)[NH+](C)C ZINC001133982752 838802098 /nfs/dbraw/zinc/80/20/98/838802098.db2.gz KQWSLHRRFQXDLW-LBPRGKRZSA-N 2 2 279.388 0.331 20 0 CCADLP CCCc1noc(C[NH2+]CCNC(=O)[C@H](CC)[NH+](C)C)n1 ZINC001133983029 838804918 /nfs/dbraw/zinc/80/49/18/838804918.db2.gz VOCNAOZVWWVHSS-NSHDSACASA-N 2 2 297.403 0.568 20 0 CCADLP C[C@@H](O)CCC[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001134498249 838994769 /nfs/dbraw/zinc/99/47/69/838994769.db2.gz BEFPDSAOBZVYPO-QWHCGFSZSA-N 2 2 282.388 0.701 20 0 CCADLP CC[C@H](C[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1)OC ZINC001134498661 838994901 /nfs/dbraw/zinc/99/49/01/838994901.db2.gz MKLGLUCDVAYAJW-QWHCGFSZSA-N 2 2 282.388 0.965 20 0 CCADLP CCCNC(=O)C[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001134498723 838995267 /nfs/dbraw/zinc/99/52/67/838995267.db2.gz NSIWKKYCQSJSTR-GFCCVEGCSA-N 2 2 295.387 0.066 20 0 CCADLP C[C@@H](CC(=O)NCC[NH2+]C[C@H]1CCOC1)n1cc[nH+]c1 ZINC001134517864 839001237 /nfs/dbraw/zinc/00/12/37/839001237.db2.gz UZBRWHKYXBCNKU-QWHCGFSZSA-N 2 2 280.372 0.577 20 0 CCADLP C[C@H](CC(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C)n1cc[nH+]c1 ZINC001134517657 839001950 /nfs/dbraw/zinc/00/19/50/839001950.db2.gz NRMQSKDJJXQYBJ-NEPJUHHUSA-N 2 2 295.387 0.017 20 0 CCADLP COCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134546208 839002980 /nfs/dbraw/zinc/00/29/80/839002980.db2.gz XQILQLMXLIYLFV-NEPJUHHUSA-N 2 2 282.388 0.862 20 0 CCADLP COCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134546208 839002992 /nfs/dbraw/zinc/00/29/92/839002992.db2.gz XQILQLMXLIYLFV-NEPJUHHUSA-N 2 2 282.388 0.862 20 0 CCADLP C[C@@H]1C[C@H](C[NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001135757509 839391403 /nfs/dbraw/zinc/39/14/03/839391403.db2.gz FAIHYPIENDUYSD-VXGBXAGGSA-N 2 2 280.372 0.473 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CCCCCF ZINC001135757634 839391919 /nfs/dbraw/zinc/39/19/19/839391919.db2.gz IXSZDCGYZAYMHF-UHFFFAOYSA-N 2 2 256.325 0.798 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]Cc1ccccn1 ZINC001135760012 839394925 /nfs/dbraw/zinc/39/49/25/839394925.db2.gz GUDWQRACWIHLEN-UHFFFAOYSA-N 2 2 259.313 0.253 20 0 CCADLP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001090680541 839732250 /nfs/dbraw/zinc/73/22/50/839732250.db2.gz WGLMGWMQCYRLAT-OLZOCXBDSA-N 2 2 292.383 0.470 20 0 CCADLP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001090680541 839732257 /nfs/dbraw/zinc/73/22/57/839732257.db2.gz WGLMGWMQCYRLAT-OLZOCXBDSA-N 2 2 292.383 0.470 20 0 CCADLP COc1ccc(C[C@H](CO)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC001246277204 839754208 /nfs/dbraw/zinc/75/42/08/839754208.db2.gz GJAAJTUVUZRKLY-ZIAGYGMSSA-N 2 2 264.369 0.940 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1O ZINC001090766031 839787623 /nfs/dbraw/zinc/78/76/23/839787623.db2.gz ZWLMHHOWMDYELI-YPMHNXCESA-N 2 2 280.372 0.220 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](C(C)C)C[C@@H]1O ZINC001090766031 839787629 /nfs/dbraw/zinc/78/76/29/839787629.db2.gz ZWLMHHOWMDYELI-YPMHNXCESA-N 2 2 280.372 0.220 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]CCOC2CCC2)C1 ZINC001185918182 844473702 /nfs/dbraw/zinc/47/37/02/844473702.db2.gz KSTZZUOQGOIBGJ-GFCCVEGCSA-N 2 2 292.383 0.712 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+](CCC2CC2)C[C@H]1O ZINC001090847241 839850815 /nfs/dbraw/zinc/85/08/15/839850815.db2.gz PUHXPYFNDXMIGC-UONOGXRCSA-N 2 2 292.383 0.235 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+](CCC2CC2)C[C@H]1O ZINC001090847241 839850823 /nfs/dbraw/zinc/85/08/23/839850823.db2.gz PUHXPYFNDXMIGC-UONOGXRCSA-N 2 2 292.383 0.235 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](NC[C@]2(CC3CC3)CCC[NH2+]2)C[NH2+]1 ZINC001246458728 839856452 /nfs/dbraw/zinc/85/64/52/839856452.db2.gz BMZIHJBGXLPITH-VNHYZAJKSA-N 2 2 281.400 0.402 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001143353586 839861452 /nfs/dbraw/zinc/86/14/52/839861452.db2.gz JIBYZICEPFRFHE-ZDUSSCGKSA-N 2 2 297.399 0.034 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001143353586 839861458 /nfs/dbraw/zinc/86/14/58/839861458.db2.gz JIBYZICEPFRFHE-ZDUSSCGKSA-N 2 2 297.399 0.034 20 0 CCADLP CCCC(C[NH3+])(CCC)N[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246493532 839873334 /nfs/dbraw/zinc/87/33/34/839873334.db2.gz BZWXRMSYMSCRQA-NEPJUHHUSA-N 2 2 271.405 0.777 20 0 CCADLP CCCC(C[NH3+])(CCC)N[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246493535 839873736 /nfs/dbraw/zinc/87/37/36/839873736.db2.gz BZWXRMSYMSCRQA-RYUDHWBXSA-N 2 2 271.405 0.777 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H](N[C@H]2C[C@@H]([NH2+]C)C2)C[NH2+]1 ZINC001246495805 839874092 /nfs/dbraw/zinc/87/40/92/839874092.db2.gz LRJWVSLGIDTZSJ-SRRSOLGSSA-N 2 2 255.362 0.010 20 0 CCADLP Cc1conc1C[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171243501 840186660 /nfs/dbraw/zinc/18/66/60/840186660.db2.gz BWZKQCRAUQLUSN-UHFFFAOYSA-N 2 2 291.355 0.555 20 0 CCADLP C[C@H]([NH3+])c1nc(C(=O)NCCC[NH+]2CCOCC2)cs1 ZINC000043226538 840276707 /nfs/dbraw/zinc/27/67/07/840276707.db2.gz UYWSOUHADKGRIM-JTQLQIEISA-N 2 2 298.412 0.615 20 0 CCADLP C[C@H](C[C@H](C)NC(=O)CCCn1cc[nH+]c1)[NH2+]CCCO ZINC001146716313 840349483 /nfs/dbraw/zinc/34/94/83/840349483.db2.gz ZCPJGKKULBIVOY-KGLIPLIRSA-N 2 2 296.415 0.919 20 0 CCADLP C[C@@H](C[C@H](C)[NH2+]CCO)NC(=O)CCCn1cc[nH+]c1 ZINC001146715926 840351064 /nfs/dbraw/zinc/35/10/64/840351064.db2.gz WZCGDZRRGPHXJP-STQMWFEESA-N 2 2 282.388 0.529 20 0 CCADLP C1[C@H]2C[NH2+]C[C@@H]2[N@@H+]1C1CCC([NH+]2CCOCC2)CC1 ZINC001246916942 840524958 /nfs/dbraw/zinc/52/49/58/840524958.db2.gz JMPJZQJQLZUFPV-URGYJCLVSA-N 3 2 265.401 0.533 20 0 CCADLP C1[C@H]2C[NH2+]C[C@@H]2[N@H+]1C1CCC([NH+]2CCOCC2)CC1 ZINC001246916942 840524960 /nfs/dbraw/zinc/52/49/60/840524960.db2.gz JMPJZQJQLZUFPV-URGYJCLVSA-N 3 2 265.401 0.533 20 0 CCADLP O=C(NCC[NH2+]CC1CC1)c1ccc(-n2cc[nH+]c2)cn1 ZINC001147615654 840649897 /nfs/dbraw/zinc/64/98/97/840649897.db2.gz XXVLYVHNQOOOSW-UHFFFAOYSA-N 2 2 285.351 0.997 20 0 CCADLP O=C(NCC[NH2+]CCCF)c1ccc(-n2cc[nH+]c2)cn1 ZINC001147615341 840649969 /nfs/dbraw/zinc/64/99/69/840649969.db2.gz RRVCHUCELWRXGE-UHFFFAOYSA-N 2 2 291.330 0.946 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]C[C@H]1C[C@@]12CCOC2 ZINC001147877149 840712201 /nfs/dbraw/zinc/71/22/01/840712201.db2.gz DHTDNBJDTDPBHN-IUODEOHRSA-N 2 2 292.383 0.095 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)c2ccc(NC(N)=[NH2+])cc2)c1 ZINC001148652315 840867226 /nfs/dbraw/zinc/86/72/26/840867226.db2.gz RRCYLMWKOIGCKD-UHFFFAOYSA-N 2 2 286.339 0.698 20 0 CCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[NH+](CCF)C[C@@H]1O ZINC001099899627 840958197 /nfs/dbraw/zinc/95/81/97/840958197.db2.gz VZFFTBZCNQLILI-RYUDHWBXSA-N 2 2 289.395 0.238 20 0 CCADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[N@H+](CCF)C[C@@H]1O ZINC001099899627 840958204 /nfs/dbraw/zinc/95/82/04/840958204.db2.gz VZFFTBZCNQLILI-RYUDHWBXSA-N 2 2 289.395 0.238 20 0 CCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[NH+](CCF)C[C@@H]1O ZINC001099899627 840958189 /nfs/dbraw/zinc/95/81/89/840958189.db2.gz VZFFTBZCNQLILI-RYUDHWBXSA-N 2 2 289.395 0.238 20 0 CCADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](CCF)C[C@@H]1O ZINC001099899627 840958210 /nfs/dbraw/zinc/95/82/10/840958210.db2.gz VZFFTBZCNQLILI-RYUDHWBXSA-N 2 2 289.395 0.238 20 0 CCADLP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CC[NH+](CCO)CC1 ZINC000713020819 841118022 /nfs/dbraw/zinc/11/80/22/841118022.db2.gz GHCHCMJKGKUDLL-GFCCVEGCSA-N 2 2 271.405 0.132 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](CCCOC(F)(F)F)CCCO1 ZINC000713415676 841130655 /nfs/dbraw/zinc/13/06/55/841130655.db2.gz QZOGUJVCFKTZPE-SECBINFHSA-N 2 2 256.268 0.963 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](CCCOC(F)(F)F)CCCO1 ZINC000713415676 841130657 /nfs/dbraw/zinc/13/06/57/841130657.db2.gz QZOGUJVCFKTZPE-SECBINFHSA-N 2 2 256.268 0.963 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC[C@H]1CCCS1(=O)=O ZINC000714339572 841194122 /nfs/dbraw/zinc/19/41/22/841194122.db2.gz QZGOYHLBFCKJFO-QJPTWQEYSA-N 2 2 260.403 0.684 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715113290 841257015 /nfs/dbraw/zinc/25/70/15/841257015.db2.gz BTJDLESODFDJHC-VGMNWLOBSA-N 2 2 258.272 0.228 20 0 CCADLP CC[C@H](C(=O)NCCNc1cc[nH+]c(C)n1)[NH+](C)C ZINC001093753659 841449566 /nfs/dbraw/zinc/44/95/66/841449566.db2.gz CRNNLXDSZVRGTJ-LLVKDONJSA-N 2 2 265.361 0.653 20 0 CCADLP Cc1nc(NCCNC(=O)C[N@H+]2CC[C@H](C)C2)cc[nH+]1 ZINC001094119612 841536732 /nfs/dbraw/zinc/53/67/32/841536732.db2.gz WTEQIFVKHQIZSK-NSHDSACASA-N 2 2 277.372 0.655 20 0 CCADLP Cc1nc(NCCNC(=O)C[N@@H+]2CC[C@H](C)C2)cc[nH+]1 ZINC001094119612 841536740 /nfs/dbraw/zinc/53/67/40/841536740.db2.gz WTEQIFVKHQIZSK-NSHDSACASA-N 2 2 277.372 0.655 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCO)C1 ZINC001036881185 841644624 /nfs/dbraw/zinc/64/46/24/841644624.db2.gz QXNWWANBDPUXKP-OCCSQVGLSA-N 2 2 292.383 0.176 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CCO)C1 ZINC001036881185 841644631 /nfs/dbraw/zinc/64/46/31/841644631.db2.gz QXNWWANBDPUXKP-OCCSQVGLSA-N 2 2 292.383 0.176 20 0 CCADLP CC(C)(C(=O)N1CCC([NH2+]CCCO)CC1)c1c[nH+]c[nH]1 ZINC001203337577 841775343 /nfs/dbraw/zinc/77/53/43/841775343.db2.gz LVBWUHRNOFTSJP-UHFFFAOYSA-N 2 2 294.399 0.650 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC([NH2+]CCCF)CC1 ZINC001203337581 841776078 /nfs/dbraw/zinc/77/60/78/841776078.db2.gz LYTKGYZDCDVXDT-UHFFFAOYSA-N 2 2 282.363 0.903 20 0 CCADLP C[C@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC(=O)N1 ZINC001172117488 841852099 /nfs/dbraw/zinc/85/20/99/841852099.db2.gz HHAGOFIYMUMFQI-RVMXOQNASA-N 2 2 251.374 0.822 20 0 CCADLP C[C@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC(=O)N1 ZINC001172117488 841852104 /nfs/dbraw/zinc/85/21/04/841852104.db2.gz HHAGOFIYMUMFQI-RVMXOQNASA-N 2 2 251.374 0.822 20 0 CCADLP C[C@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC(=O)N1 ZINC001172117488 841852106 /nfs/dbraw/zinc/85/21/06/841852106.db2.gz HHAGOFIYMUMFQI-RVMXOQNASA-N 2 2 251.374 0.822 20 0 CCADLP C[C@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC(=O)N1 ZINC001172117488 841852111 /nfs/dbraw/zinc/85/21/11/841852111.db2.gz HHAGOFIYMUMFQI-RVMXOQNASA-N 2 2 251.374 0.822 20 0 CCADLP [NH3+][C@@H]1COC[C@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172672878 841953528 /nfs/dbraw/zinc/95/35/28/841953528.db2.gz WDSHZZHRAUEWNU-RBSFLKMASA-N 2 2 289.379 0.493 20 0 CCADLP [NH3+][C@@H]1COC[C@H]1[NH2+][C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172672879 841953745 /nfs/dbraw/zinc/95/37/45/841953745.db2.gz WDSHZZHRAUEWNU-RRFJBIMHSA-N 2 2 289.379 0.493 20 0 CCADLP CNc1nccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)n1 ZINC001206175205 841967767 /nfs/dbraw/zinc/96/77/67/841967767.db2.gz SGXXPDSNJWRSOW-WDEREUQCSA-N 2 2 253.325 0.780 20 0 CCADLP CNc1nccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)n1 ZINC001206175205 841967770 /nfs/dbraw/zinc/96/77/70/841967770.db2.gz SGXXPDSNJWRSOW-WDEREUQCSA-N 2 2 253.325 0.780 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C[C@@H]1C(=O)OC ZINC001173564922 842101045 /nfs/dbraw/zinc/10/10/45/842101045.db2.gz MYJTWVXYWAWMNR-ZDEQEGDKSA-N 2 2 298.383 0.411 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C[C@@H]1C(=O)OC ZINC001173564922 842101048 /nfs/dbraw/zinc/10/10/48/842101048.db2.gz MYJTWVXYWAWMNR-ZDEQEGDKSA-N 2 2 298.383 0.411 20 0 CCADLP COC(=O)[C@@H]1C[C@H](n2cc[nH+]c2CC[NH3+])C[C@@H]1C(=O)OC ZINC001173566024 842103207 /nfs/dbraw/zinc/10/32/07/842103207.db2.gz YDXFRWFUIFNSIZ-JGPRNRPPSA-N 2 2 295.339 0.298 20 0 CCADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173735527 842134184 /nfs/dbraw/zinc/13/41/84/842134184.db2.gz UKWDIYULUKASDF-AGIUHOORSA-N 2 2 264.377 0.841 20 0 CCADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173735527 842134192 /nfs/dbraw/zinc/13/41/92/842134192.db2.gz UKWDIYULUKASDF-AGIUHOORSA-N 2 2 264.377 0.841 20 0 CCADLP C[NH+]1CCC(CO)([NH2+][C@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173749844 842146019 /nfs/dbraw/zinc/14/60/19/842146019.db2.gz LTCDSMMJLNRIBP-STQMWFEESA-N 2 2 294.403 0.203 20 0 CCADLP Cn1c[nH+]cc1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001174490883 842187098 /nfs/dbraw/zinc/18/70/98/842187098.db2.gz XHIIHINOTMVJQT-UHFFFAOYSA-N 2 2 276.344 0.692 20 0 CCADLP C[C@H](O)C[NH2+]CCCC[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001174581575 842191319 /nfs/dbraw/zinc/19/13/19/842191319.db2.gz UEYMSKTUGIPEOY-KBPBESRZSA-N 2 2 296.415 0.919 20 0 CCADLP C[C@H](CCCC[NH2+]C[C@H](C)O)NC(=O)CCn1cc[nH+]c1 ZINC001174581576 842191702 /nfs/dbraw/zinc/19/17/02/842191702.db2.gz UEYMSKTUGIPEOY-KGLIPLIRSA-N 2 2 296.415 0.919 20 0 CCADLP Cc1nonc1C[NH2+]CCCNC(=O)Cn1cc[nH+]c1C ZINC001176125418 842331361 /nfs/dbraw/zinc/33/13/61/842331361.db2.gz BIIJLIBOVGQCTQ-UHFFFAOYSA-N 2 2 292.343 0.179 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCCC[NH2+]C[C@H](C)O ZINC001176350337 842362243 /nfs/dbraw/zinc/36/22/43/842362243.db2.gz BOWKFFMOHRWKIG-RYUDHWBXSA-N 2 2 296.415 0.906 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCCC[NH2+]CCO ZINC001176351267 842362335 /nfs/dbraw/zinc/36/23/35/842362335.db2.gz RHTUWJNIPSVEFJ-LLVKDONJSA-N 2 2 282.388 0.518 20 0 CCADLP Cn1nnc2cc(C[NH2+]CCn3cc[nH+]c3)ccc21 ZINC001177086451 842503829 /nfs/dbraw/zinc/50/38/29/842503829.db2.gz FVHGJUXRSANTKM-UHFFFAOYSA-N 2 2 256.313 0.955 20 0 CCADLP COCCC[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177404649 842578340 /nfs/dbraw/zinc/57/83/40/842578340.db2.gz FOUPSKJDMCAGMU-UHFFFAOYSA-N 2 2 254.334 0.016 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]C[C@@H]1C[C@]12CCOC2 ZINC001177405988 842579209 /nfs/dbraw/zinc/57/92/09/842579209.db2.gz UTBGMEMZFQDNIR-ZFWWWQNUSA-N 2 2 292.383 0.406 20 0 CCADLP C[C@@H]1CC[C@H](C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)O1 ZINC001177405951 842579346 /nfs/dbraw/zinc/57/93/46/842579346.db2.gz SWGYVAHKJJDCAU-CHWSQXEVSA-N 2 2 280.372 0.547 20 0 CCADLP CN(CC(=O)N1CC[N@@H+]2CC[C@@H]2C1)c1cccc[nH+]1 ZINC001177412261 842585398 /nfs/dbraw/zinc/58/53/98/842585398.db2.gz NMZYGUYGWJTMIZ-GFCCVEGCSA-N 2 2 260.341 0.434 20 0 CCADLP CN(CC(=O)N1CC[N@H+]2CC[C@@H]2C1)c1cccc[nH+]1 ZINC001177412261 842585403 /nfs/dbraw/zinc/58/54/03/842585403.db2.gz NMZYGUYGWJTMIZ-GFCCVEGCSA-N 2 2 260.341 0.434 20 0 CCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@H]21 ZINC001178117373 842761600 /nfs/dbraw/zinc/76/16/00/842761600.db2.gz VNTLQNCOARTGJU-MGPQQGTHSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@H]21 ZINC001178117373 842761601 /nfs/dbraw/zinc/76/16/01/842761601.db2.gz VNTLQNCOARTGJU-MGPQQGTHSA-N 2 2 288.395 0.998 20 0 CCADLP C[C@H]1[C@@H]([NH2+]Cc2csnn2)CCN1C(=O)CC[NH+](C)C ZINC001179471855 843003805 /nfs/dbraw/zinc/00/38/05/843003805.db2.gz DLCQSGYBZVLMEM-JQWIXIFHSA-N 2 2 297.428 0.569 20 0 CCADLP Cc1nnc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)[C@H]2C)o1 ZINC001179472387 843003895 /nfs/dbraw/zinc/00/38/95/843003895.db2.gz LBRPIUOUPKZXSB-JQWIXIFHSA-N 2 2 295.387 0.409 20 0 CCADLP O=C(/C=C\C[NH+]1CCOCC1)NC[C@H]1C[NH+]2CCC1CC2 ZINC001179900556 843072352 /nfs/dbraw/zinc/07/23/52/843072352.db2.gz VTEKYPDOMIADEV-OYADATRGSA-N 2 2 293.411 0.333 20 0 CCADLP CCN(C(=O)CN1CC[NH+](C(C)C)CC1)C1C[NH+](C)C1 ZINC001180347108 843148743 /nfs/dbraw/zinc/14/87/43/843148743.db2.gz LVUJGTPZARVTDO-UHFFFAOYSA-N 2 2 282.432 0.175 20 0 CCADLP COC(=O)N1CC([NH2+]C2CC[NH+](C(C)C)CC2)C1 ZINC001181031019 843389848 /nfs/dbraw/zinc/38/98/48/843389848.db2.gz IOLYOBSVTTVBKY-UHFFFAOYSA-N 2 2 255.362 0.899 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@]1(C)C[NH2+]CCO ZINC001181688720 843563983 /nfs/dbraw/zinc/56/39/83/843563983.db2.gz SCGSXVFTWRLZGZ-IUODEOHRSA-N 2 2 294.399 0.409 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@]1(C)C[NH2+]CCO ZINC001181688720 843563990 /nfs/dbraw/zinc/56/39/90/843563990.db2.gz SCGSXVFTWRLZGZ-IUODEOHRSA-N 2 2 294.399 0.409 20 0 CCADLP COc1c(O)cccc1C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206480552 843718603 /nfs/dbraw/zinc/71/86/03/843718603.db2.gz BPOKLEUXPZLLOY-CMPLNLGQSA-N 2 2 252.314 0.152 20 0 CCADLP COc1c(O)cccc1C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206480552 843718610 /nfs/dbraw/zinc/71/86/10/843718610.db2.gz BPOKLEUXPZLLOY-CMPLNLGQSA-N 2 2 252.314 0.152 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2c[nH]c3cnc(Cl)cc23)C[C@H]1O ZINC001206480963 843723089 /nfs/dbraw/zinc/72/30/89/843723089.db2.gz NATMGWILKUGSNU-QPUJVOFHSA-N 2 2 280.759 0.968 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2c[nH]c3cnc(Cl)cc23)C[C@H]1O ZINC001206480963 843723103 /nfs/dbraw/zinc/72/31/03/843723103.db2.gz NATMGWILKUGSNU-QPUJVOFHSA-N 2 2 280.759 0.968 20 0 CCADLP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C1([NH+](C)C)CC1 ZINC001182601445 843871735 /nfs/dbraw/zinc/87/17/35/843871735.db2.gz FZYXCBSARNOJGQ-UHFFFAOYSA-N 3 2 269.393 0.144 20 0 CCADLP C[NH+](C)C1(C(=O)NC2CC[NH+](CCF)CC2)CC1 ZINC001182603194 843874756 /nfs/dbraw/zinc/87/47/56/843874756.db2.gz UTUJYARCQWUOED-UHFFFAOYSA-N 2 2 257.353 0.631 20 0 CCADLP Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)[nH]1 ZINC001188158747 844849044 /nfs/dbraw/zinc/84/90/44/844849044.db2.gz WZLLGHZAZYVCAP-GFCCVEGCSA-N 2 2 294.403 0.144 20 0 CCADLP Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)[nH]1 ZINC001188158747 844849048 /nfs/dbraw/zinc/84/90/48/844849048.db2.gz WZLLGHZAZYVCAP-GFCCVEGCSA-N 2 2 294.403 0.144 20 0 CCADLP CC[C@@H](C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)OC ZINC001188368783 844874158 /nfs/dbraw/zinc/87/41/58/844874158.db2.gz KARJKNWGQQTPPP-OLZOCXBDSA-N 2 2 280.372 0.499 20 0 CCADLP CCCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001188368575 844874812 /nfs/dbraw/zinc/87/48/12/844874812.db2.gz BBZUVCWVESUNAZ-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP CC[C@@H](C[N@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)OC ZINC001193048617 845965517 /nfs/dbraw/zinc/96/55/17/845965517.db2.gz SQJHWWRTTYCAKT-OLZOCXBDSA-N 2 2 294.399 0.910 20 0 CCADLP CC[C@@H](C[N@@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)OC ZINC001193048617 845965528 /nfs/dbraw/zinc/96/55/28/845965528.db2.gz SQJHWWRTTYCAKT-OLZOCXBDSA-N 2 2 294.399 0.910 20 0 CCADLP CCOCC[N@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193066516 845971760 /nfs/dbraw/zinc/97/17/60/845971760.db2.gz IQYYRFXEWJXKLA-LBPRGKRZSA-N 2 2 280.372 0.521 20 0 CCADLP CCOCC[N@@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193066516 845971765 /nfs/dbraw/zinc/97/17/65/845971765.db2.gz IQYYRFXEWJXKLA-LBPRGKRZSA-N 2 2 280.372 0.521 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NCC[NH2+]Cc1ncccn1 ZINC001152439432 847090974 /nfs/dbraw/zinc/09/09/74/847090974.db2.gz LZHSDHVMKIKNCE-UHFFFAOYSA-N 2 2 265.361 0.023 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]Cc1ncccn1 ZINC001152439432 847090984 /nfs/dbraw/zinc/09/09/84/847090984.db2.gz LZHSDHVMKIKNCE-UHFFFAOYSA-N 2 2 265.361 0.023 20 0 CCADLP COCCn1cc(C[NH2+]CCCn2cc[nH+]c2)cn1 ZINC001198970495 847200997 /nfs/dbraw/zinc/20/09/97/847200997.db2.gz XWKGQTYOIRYMEX-UHFFFAOYSA-N 2 2 263.345 0.906 20 0 CCADLP CN1C[C@@]2(CC[N@@H+](C3CC[NH+](C)CC3)C2)OCC1=O ZINC001273829610 847618629 /nfs/dbraw/zinc/61/86/29/847618629.db2.gz IOIDZGDGQZZQFZ-CQSZACIVSA-N 2 2 267.373 0.014 20 0 CCADLP CN1C[C@@]2(CC[N@H+](C3CC[NH+](C)CC3)C2)OCC1=O ZINC001273829610 847618637 /nfs/dbraw/zinc/61/86/37/847618637.db2.gz IOIDZGDGQZZQFZ-CQSZACIVSA-N 2 2 267.373 0.014 20 0 CCADLP COCCC[NH2+]C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001200949858 847711543 /nfs/dbraw/zinc/71/15/43/847711543.db2.gz NPPJAEAZYBHIGJ-UHFFFAOYSA-N 2 2 294.399 0.959 20 0 CCADLP COCCC[NH2+]C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001200949858 847711549 /nfs/dbraw/zinc/71/15/49/847711549.db2.gz NPPJAEAZYBHIGJ-UHFFFAOYSA-N 2 2 294.399 0.959 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cc3cccnc3o2)C1 ZINC001201887518 847823184 /nfs/dbraw/zinc/82/31/84/847823184.db2.gz BRHWYIAQTKSPEA-AWEZNQCLSA-N 2 2 261.325 0.984 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cc3cccnc3o2)C1 ZINC001201887518 847823187 /nfs/dbraw/zinc/82/31/87/847823187.db2.gz BRHWYIAQTKSPEA-AWEZNQCLSA-N 2 2 261.325 0.984 20 0 CCADLP CC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CCCO1 ZINC001202208102 847867501 /nfs/dbraw/zinc/86/75/01/847867501.db2.gz IFGGVMUEJPBGGN-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]Cc1ccnc(Cl)c1 ZINC001153487593 848011112 /nfs/dbraw/zinc/01/11/12/848011112.db2.gz HJVVPVZNVYUUHX-UHFFFAOYSA-N 2 2 293.758 0.838 20 0 CCADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@H](O)c1ccccc1F ZINC000717299101 848223222 /nfs/dbraw/zinc/22/32/22/848223222.db2.gz WGGJIURGMHSABT-GWCFXTLKSA-N 2 2 256.321 0.371 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000717441081 848263640 /nfs/dbraw/zinc/26/36/40/848263640.db2.gz OSMXBXFQCYUKOA-LJISPDSOSA-N 2 2 286.416 0.567 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000717441081 848263650 /nfs/dbraw/zinc/26/36/50/848263650.db2.gz OSMXBXFQCYUKOA-LJISPDSOSA-N 2 2 286.416 0.567 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000717441081 848263656 /nfs/dbraw/zinc/26/36/56/848263656.db2.gz OSMXBXFQCYUKOA-LJISPDSOSA-N 2 2 286.416 0.567 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000717441081 848263664 /nfs/dbraw/zinc/26/36/64/848263664.db2.gz OSMXBXFQCYUKOA-LJISPDSOSA-N 2 2 286.416 0.567 20 0 CCADLP COCCOC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000717441763 848264016 /nfs/dbraw/zinc/26/40/16/848264016.db2.gz SGXWLVNOZLMOAR-RDBSUJKOSA-N 2 2 272.389 0.179 20 0 CCADLP COCCOC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000717441763 848264024 /nfs/dbraw/zinc/26/40/24/848264024.db2.gz SGXWLVNOZLMOAR-RDBSUJKOSA-N 2 2 272.389 0.179 20 0 CCADLP COCCOC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000717441763 848264040 /nfs/dbraw/zinc/26/40/40/848264040.db2.gz SGXWLVNOZLMOAR-RDBSUJKOSA-N 2 2 272.389 0.179 20 0 CCADLP COCCOC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000717441763 848264044 /nfs/dbraw/zinc/26/40/44/848264044.db2.gz SGXWLVNOZLMOAR-RDBSUJKOSA-N 2 2 272.389 0.179 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCC[C@@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001274053442 848326735 /nfs/dbraw/zinc/32/67/35/848326735.db2.gz TYJLLUMXBXWWTK-HIFRSBDPSA-N 2 2 292.383 0.331 20 0 CCADLP C[C@@H](O)C[N@H+]1CCC[C@@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001274053442 848326741 /nfs/dbraw/zinc/32/67/41/848326741.db2.gz TYJLLUMXBXWWTK-HIFRSBDPSA-N 2 2 292.383 0.331 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001274053747 848329361 /nfs/dbraw/zinc/32/93/61/848329361.db2.gz VKFHKEGRADGEOM-HIFRSBDPSA-N 2 2 292.383 0.188 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001274053747 848329373 /nfs/dbraw/zinc/32/93/73/848329373.db2.gz VKFHKEGRADGEOM-HIFRSBDPSA-N 2 2 292.383 0.188 20 0 CCADLP CC[N@H+](C[C@H](C)O)[C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001154422327 848412935 /nfs/dbraw/zinc/41/29/35/848412935.db2.gz LZNNXNYBUHKHQX-OLZOCXBDSA-N 2 2 296.415 0.560 20 0 CCADLP CC[N@@H+](C[C@H](C)O)[C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001154422327 848412938 /nfs/dbraw/zinc/41/29/38/848412938.db2.gz LZNNXNYBUHKHQX-OLZOCXBDSA-N 2 2 296.415 0.560 20 0 CCADLP COCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001110877694 848420148 /nfs/dbraw/zinc/42/01/48/848420148.db2.gz ZJGNQZFJHSEMER-MCIONIFRSA-N 2 2 292.383 0.641 20 0 CCADLP COCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001110877694 848420150 /nfs/dbraw/zinc/42/01/50/848420150.db2.gz ZJGNQZFJHSEMER-MCIONIFRSA-N 2 2 292.383 0.641 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC/C=C/C[NH2+]CCF ZINC001274244961 848427752 /nfs/dbraw/zinc/42/77/52/848427752.db2.gz ZBRWHCRCWJRQHP-OWOJBTEDSA-N 2 2 254.309 0.505 20 0 CCADLP CCOCC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001274301104 848443322 /nfs/dbraw/zinc/44/33/22/848443322.db2.gz ZXOXCHPLAQWFNJ-OLZOCXBDSA-N 2 2 280.372 0.356 20 0 CCADLP CCOCC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001274301107 848444004 /nfs/dbraw/zinc/44/40/04/848444004.db2.gz ZXOXCHPLAQWFNJ-STQMWFEESA-N 2 2 280.372 0.356 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC/C=C/C[NH2+]CC1CCOCC1 ZINC001274464996 848483349 /nfs/dbraw/zinc/48/33/49/848483349.db2.gz SMFYRFYUFGBWRS-OWOJBTEDSA-N 2 2 292.383 0.641 20 0 CCADLP C[C@H](C[NH2+]CC[C@@H]1CCCO1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001274967532 848604337 /nfs/dbraw/zinc/60/43/37/848604337.db2.gz IJPKUHYZXVDHTL-NEPJUHHUSA-N 2 2 280.372 0.616 20 0 CCADLP CC[N@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001275078897 848629287 /nfs/dbraw/zinc/62/92/87/848629287.db2.gz CDHZFJYHOGLRFL-KFWWJZLASA-N 2 2 293.411 0.402 20 0 CCADLP CC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001275078897 848629291 /nfs/dbraw/zinc/62/92/91/848629291.db2.gz CDHZFJYHOGLRFL-KFWWJZLASA-N 2 2 293.411 0.402 20 0 CCADLP CC[N@@H+]1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001275087086 848633563 /nfs/dbraw/zinc/63/35/63/848633563.db2.gz RPJDNFOBHFCFDX-BETUJISGSA-N 2 2 250.346 0.288 20 0 CCADLP CC[N@H+]1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001275087086 848633566 /nfs/dbraw/zinc/63/35/66/848633566.db2.gz RPJDNFOBHFCFDX-BETUJISGSA-N 2 2 250.346 0.288 20 0 CCADLP Cc1nccnc1C[NH+]1CC2(C1)CCN(CC[NH+](C)C)C2 ZINC001276164116 848944669 /nfs/dbraw/zinc/94/46/69/848944669.db2.gz UYBSUXJROSBGPS-UHFFFAOYSA-N 2 2 289.427 0.854 20 0 CCADLP Cc1nc[nH]c1C[NH+]1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001276206300 848961612 /nfs/dbraw/zinc/96/16/12/848961612.db2.gz BHKGQRPVYOTEGO-UHFFFAOYSA-N 2 2 263.389 0.397 20 0 CCADLP COCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1 ZINC001114651530 849346894 /nfs/dbraw/zinc/34/68/94/849346894.db2.gz BFAQSVOIOUVNIA-NHAGDIPZSA-N 2 2 292.383 0.356 20 0 CCADLP COCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1 ZINC001114651530 849346899 /nfs/dbraw/zinc/34/68/99/849346899.db2.gz BFAQSVOIOUVNIA-NHAGDIPZSA-N 2 2 292.383 0.356 20 0 CCADLP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21)[NH+](C)C ZINC001114846370 849429521 /nfs/dbraw/zinc/42/95/21/849429521.db2.gz JFMVWKRIXGGPRI-RFQIPJPRSA-N 2 2 292.383 0.561 20 0 CCADLP CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21)[NH+](C)C ZINC001114846370 849429523 /nfs/dbraw/zinc/42/95/23/849429523.db2.gz JFMVWKRIXGGPRI-RFQIPJPRSA-N 2 2 292.383 0.561 20 0 CCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720809865 849542082 /nfs/dbraw/zinc/54/20/82/849542082.db2.gz ARRKHWXRSGUBPH-MBNYWOFBSA-N 2 2 253.390 0.833 20 0 CCADLP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720809865 849542089 /nfs/dbraw/zinc/54/20/89/849542089.db2.gz ARRKHWXRSGUBPH-MBNYWOFBSA-N 2 2 253.390 0.833 20 0 CCADLP C[C@@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720813145 849542831 /nfs/dbraw/zinc/54/28/31/849542831.db2.gz SULBWRQELXFILY-KCQAQPDRSA-N 2 2 265.401 0.929 20 0 CCADLP C[C@@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720813145 849542836 /nfs/dbraw/zinc/54/28/36/849542836.db2.gz SULBWRQELXFILY-KCQAQPDRSA-N 2 2 265.401 0.929 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@@H]1C(F)(F)F ZINC000720827344 849545496 /nfs/dbraw/zinc/54/54/96/849545496.db2.gz JTCVNXKWTQGACR-IUCAKERBSA-N 2 2 293.289 0.204 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@@H]1C(F)(F)F ZINC000720827344 849545505 /nfs/dbraw/zinc/54/55/05/849545505.db2.gz JTCVNXKWTQGACR-IUCAKERBSA-N 2 2 293.289 0.204 20 0 CCADLP CC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1[NH2+]CCO ZINC001037969241 849614142 /nfs/dbraw/zinc/61/41/42/849614142.db2.gz WCLBMXMOJGCSSB-OCCSQVGLSA-N 2 2 294.399 0.172 20 0 CCADLP COCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001038344446 849857300 /nfs/dbraw/zinc/85/73/00/849857300.db2.gz GINYQUWBHLPZMC-STQMWFEESA-N 2 2 292.383 0.597 20 0 CCADLP COCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001038344446 849857309 /nfs/dbraw/zinc/85/73/09/849857309.db2.gz GINYQUWBHLPZMC-STQMWFEESA-N 2 2 292.383 0.597 20 0 CCADLP O=C(NC[C@@H]1CC[N@H+]1CCO)c1cc2c[nH+]ccc2[nH]1 ZINC001038418645 849886693 /nfs/dbraw/zinc/88/66/93/849886693.db2.gz YFLWMSWVCGEGGE-NSHDSACASA-N 2 2 274.324 0.359 20 0 CCADLP O=C(NC[C@@H]1CC[N@@H+]1CCO)c1cc2c[nH+]ccc2[nH]1 ZINC001038418645 849886700 /nfs/dbraw/zinc/88/67/00/849886700.db2.gz YFLWMSWVCGEGGE-NSHDSACASA-N 2 2 274.324 0.359 20 0 CCADLP CCC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001038442217 849898959 /nfs/dbraw/zinc/89/89/59/849898959.db2.gz MTRADSTXYNLBGN-LLVKDONJSA-N 2 2 280.372 0.950 20 0 CCADLP CCC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001038442217 849898965 /nfs/dbraw/zinc/89/89/65/849898965.db2.gz MTRADSTXYNLBGN-LLVKDONJSA-N 2 2 280.372 0.950 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2Cc2cccnc2)C1 ZINC001039008141 850118787 /nfs/dbraw/zinc/11/87/87/850118787.db2.gz URAQOPROWLGTIN-GJZGRUSLSA-N 2 2 288.395 0.724 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2Cc2cccnc2)C1 ZINC001039008141 850118788 /nfs/dbraw/zinc/11/87/88/850118788.db2.gz URAQOPROWLGTIN-GJZGRUSLSA-N 2 2 288.395 0.724 20 0 CCADLP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccnc2)C1 ZINC001039008141 850118796 /nfs/dbraw/zinc/11/87/96/850118796.db2.gz URAQOPROWLGTIN-GJZGRUSLSA-N 2 2 288.395 0.724 20 0 CCADLP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2cccnc2)C1 ZINC001039008141 850118814 /nfs/dbraw/zinc/11/88/14/850118814.db2.gz URAQOPROWLGTIN-GJZGRUSLSA-N 2 2 288.395 0.724 20 0 CCADLP CCC[N@H+](C[C@@H]1C[C@@H]2COC[C@H]2O1)[C@@H]1CC[NH2+]C1 ZINC000724568421 850203675 /nfs/dbraw/zinc/20/36/75/850203675.db2.gz IRIOQDRFPLTDGH-YIYPIFLZSA-N 2 2 254.374 0.864 20 0 CCADLP CCC[N@@H+](C[C@@H]1C[C@@H]2COC[C@H]2O1)[C@@H]1CC[NH2+]C1 ZINC000724568421 850203682 /nfs/dbraw/zinc/20/36/82/850203682.db2.gz IRIOQDRFPLTDGH-YIYPIFLZSA-N 2 2 254.374 0.864 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@]2(C1)CCC[N@@H+](CCO)C2 ZINC001040471161 850293819 /nfs/dbraw/zinc/29/38/19/850293819.db2.gz PWRYGZUSSUTIKI-HNNXBMFYSA-N 2 2 292.383 0.259 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@]2(C1)CCC[N@H+](CCO)C2 ZINC001040471161 850293829 /nfs/dbraw/zinc/29/38/29/850293829.db2.gz PWRYGZUSSUTIKI-HNNXBMFYSA-N 2 2 292.383 0.259 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@]2(CC[N@H+](CCF)C2)C1 ZINC001041787452 850502545 /nfs/dbraw/zinc/50/25/45/850502545.db2.gz NZXGBLYSDQBXRP-OAHLLOKOSA-N 2 2 294.374 0.857 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@]2(CC[N@@H+](CCF)C2)C1 ZINC001041787452 850502549 /nfs/dbraw/zinc/50/25/49/850502549.db2.gz NZXGBLYSDQBXRP-OAHLLOKOSA-N 2 2 294.374 0.857 20 0 CCADLP COCC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001042379067 850622027 /nfs/dbraw/zinc/62/20/27/850622027.db2.gz FVYPGXWEKYMVEB-KBPBESRZSA-N 2 2 292.383 0.452 20 0 CCADLP COCC[N@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001042379067 850622031 /nfs/dbraw/zinc/62/20/31/850622031.db2.gz FVYPGXWEKYMVEB-KBPBESRZSA-N 2 2 292.383 0.452 20 0 CCADLP CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001042385441 850623385 /nfs/dbraw/zinc/62/33/85/850623385.db2.gz SIOXMNONTLSPKW-OLZOCXBDSA-N 2 2 262.357 0.826 20 0 CCADLP CC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001042385441 850623390 /nfs/dbraw/zinc/62/33/90/850623390.db2.gz SIOXMNONTLSPKW-OLZOCXBDSA-N 2 2 262.357 0.826 20 0 CCADLP CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1C[NH+](CCC2CC2)C1 ZINC001042569983 850699626 /nfs/dbraw/zinc/69/96/26/850699626.db2.gz KXSQOBHWYJRHAV-CQSZACIVSA-N 2 2 281.400 0.260 20 0 CCADLP CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1C[NH+](CCC2CC2)C1 ZINC001042569983 850699631 /nfs/dbraw/zinc/69/96/31/850699631.db2.gz KXSQOBHWYJRHAV-CQSZACIVSA-N 2 2 281.400 0.260 20 0 CCADLP CN(C(=O)C(C)(C)[NH+]1CCCCC1)C1C[NH+](CCCO)C1 ZINC001042724387 850744690 /nfs/dbraw/zinc/74/46/90/850744690.db2.gz XXDKQLXGEIBYPW-UHFFFAOYSA-N 2 2 297.443 0.776 20 0 CCADLP C[C@H](O)C[NH+]1CC(N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001042722905 850744898 /nfs/dbraw/zinc/74/48/98/850744898.db2.gz COIWKROGPRCASE-ZDUSSCGKSA-N 2 2 297.443 0.774 20 0 CCADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+](C[C@@H](C)O)C1 ZINC001044005587 850982853 /nfs/dbraw/zinc/98/28/53/850982853.db2.gz DTZIPKVFAUSEFE-UKRRQHHQSA-N 2 2 297.443 0.773 20 0 CCADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+](C[C@@H](C)O)C1 ZINC001044005587 850982854 /nfs/dbraw/zinc/98/28/54/850982854.db2.gz DTZIPKVFAUSEFE-UKRRQHHQSA-N 2 2 297.443 0.773 20 0 CCADLP CC1CC[NH+](CC(=O)N(C)C2C[NH+](CCCO)C2)CC1 ZINC001044085986 851007404 /nfs/dbraw/zinc/00/74/04/851007404.db2.gz GKMRTDODHQCUFS-UHFFFAOYSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@@H]1CC[C@H](C[NH+]2CC(N(C)C(=O)C[NH+]3CCCC3)C2)O1 ZINC001044295289 851067694 /nfs/dbraw/zinc/06/76/94/851067694.db2.gz QSVMDKVZYQVDTA-UKRRQHHQSA-N 2 2 295.427 0.792 20 0 CCADLP CO[C@H](C)C[NH+]1CC(N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001044295969 851069325 /nfs/dbraw/zinc/06/93/25/851069325.db2.gz QIIKVUGIIFGFAG-LLVKDONJSA-N 2 2 280.372 0.369 20 0 CCADLP C[C@@H](CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1)Cn1cc[nH+]c1 ZINC000900787650 851513538 /nfs/dbraw/zinc/51/35/38/851513538.db2.gz QTXFJFKGISYBNZ-ZFWWWQNUSA-N 2 2 294.399 0.482 20 0 CCADLP C[C@@H](CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)Cn1cc[nH+]c1 ZINC000900787650 851513547 /nfs/dbraw/zinc/51/35/47/851513547.db2.gz QTXFJFKGISYBNZ-ZFWWWQNUSA-N 2 2 294.399 0.482 20 0 CCADLP COCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001049750789 852365908 /nfs/dbraw/zinc/36/59/08/852365908.db2.gz NQWVNKYUYGGXSE-KGLIPLIRSA-N 2 2 292.383 0.664 20 0 CCADLP COCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001049750789 852365912 /nfs/dbraw/zinc/36/59/12/852365912.db2.gz NQWVNKYUYGGXSE-KGLIPLIRSA-N 2 2 292.383 0.664 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCCO ZINC001049929310 852396925 /nfs/dbraw/zinc/39/69/25/852396925.db2.gz ZIPRAESPVOLFEN-ZIAGYGMSSA-N 2 2 292.383 0.331 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCO ZINC001049929310 852396930 /nfs/dbraw/zinc/39/69/30/852396930.db2.gz ZIPRAESPVOLFEN-ZIAGYGMSSA-N 2 2 292.383 0.331 20 0 CCADLP C[NH+](C)CCN1CC[NH+]([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254515879 852624211 /nfs/dbraw/zinc/62/42/11/852624211.db2.gz FXBIVGUTVZLKQB-OAHLLOKOSA-N 3 2 268.449 0.650 20 0 CCADLP C[NH+](C)CCN1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254515879 852624219 /nfs/dbraw/zinc/62/42/19/852624219.db2.gz FXBIVGUTVZLKQB-OAHLLOKOSA-N 3 2 268.449 0.650 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)[C@H](CC)[NH+](C)C)CCO2 ZINC001053431447 852742544 /nfs/dbraw/zinc/74/25/44/852742544.db2.gz KXOAMLJPHAJRCE-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CC[N@H+](C)C1)CCO2 ZINC001053531823 852753321 /nfs/dbraw/zinc/75/33/21/852753321.db2.gz WEVICDQZBFVLJB-ZDUSSCGKSA-N 2 2 281.400 0.261 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1CC[N@@H+](C)C1)CCO2 ZINC001053531823 852753325 /nfs/dbraw/zinc/75/33/25/852753325.db2.gz WEVICDQZBFVLJB-ZDUSSCGKSA-N 2 2 281.400 0.261 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)CO2 ZINC001053756504 852806439 /nfs/dbraw/zinc/80/64/39/852806439.db2.gz YGIWESGAKDXTHH-NWDGAFQWSA-N 2 2 267.373 0.060 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)CO2 ZINC001053756504 852806443 /nfs/dbraw/zinc/80/64/43/852806443.db2.gz YGIWESGAKDXTHH-NWDGAFQWSA-N 2 2 267.373 0.060 20 0 CCADLP C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1[NH2+]CCF ZINC001054721055 853002717 /nfs/dbraw/zinc/00/27/17/853002717.db2.gz MQQPBSQHGQTKSR-JQWIXIFHSA-N 2 2 268.336 0.748 20 0 CCADLP C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CCF ZINC001054721055 853002720 /nfs/dbraw/zinc/00/27/20/853002720.db2.gz MQQPBSQHGQTKSR-JQWIXIFHSA-N 2 2 268.336 0.748 20 0 CCADLP Cc1nc(N[C@@H](C)CNC(=O)C23CC[NH+](CC2)C3)cc[nH+]1 ZINC001097973813 853060678 /nfs/dbraw/zinc/06/06/78/853060678.db2.gz SBSDWFRBJZDHIK-NSHDSACASA-N 2 2 289.383 0.797 20 0 CCADLP CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001050921101 853486515 /nfs/dbraw/zinc/48/65/15/853486515.db2.gz OCWKPSLABJOWGZ-HUUCEWRRSA-N 2 2 295.427 0.555 20 0 CCADLP CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001050921101 853486517 /nfs/dbraw/zinc/48/65/17/853486517.db2.gz OCWKPSLABJOWGZ-HUUCEWRRSA-N 2 2 295.427 0.555 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001050953547 853493320 /nfs/dbraw/zinc/49/33/20/853493320.db2.gz HIAURYOHWGXROE-LSDHHAIUSA-N 2 2 297.443 0.801 20 0 CCADLP CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC[NH+](CC(C)C)C1 ZINC001050953547 853493322 /nfs/dbraw/zinc/49/33/22/853493322.db2.gz HIAURYOHWGXROE-LSDHHAIUSA-N 2 2 297.443 0.801 20 0 CCADLP CC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001050953547 853493325 /nfs/dbraw/zinc/49/33/25/853493325.db2.gz HIAURYOHWGXROE-LSDHHAIUSA-N 2 2 297.443 0.801 20 0 CCADLP CC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001050953547 853493328 /nfs/dbraw/zinc/49/33/28/853493328.db2.gz HIAURYOHWGXROE-LSDHHAIUSA-N 2 2 297.443 0.801 20 0 CCADLP CC(C)[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001051884541 853653265 /nfs/dbraw/zinc/65/32/65/853653265.db2.gz PRTHCRAINZMKGO-LLVKDONJSA-N 2 2 266.345 0.178 20 0 CCADLP CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC001072870459 854483936 /nfs/dbraw/zinc/48/39/36/854483936.db2.gz JUSOJWPJMWHSII-CYBMUJFWSA-N 2 2 288.395 1.000 20 0 CCADLP CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC001072870459 854483941 /nfs/dbraw/zinc/48/39/41/854483941.db2.gz JUSOJWPJMWHSII-CYBMUJFWSA-N 2 2 288.395 1.000 20 0 CCADLP CC[N@@H+]1CCO[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001074408057 854727522 /nfs/dbraw/zinc/72/75/22/854727522.db2.gz PKHYIWQYSXMKBM-KGLIPLIRSA-N 2 2 281.400 0.404 20 0 CCADLP CC[N@H+]1CCO[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001074408057 854727525 /nfs/dbraw/zinc/72/75/25/854727525.db2.gz PKHYIWQYSXMKBM-KGLIPLIRSA-N 2 2 281.400 0.404 20 0 CCADLP CC(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001074581849 854753189 /nfs/dbraw/zinc/75/31/89/854753189.db2.gz SNUBDSSAUOXSLM-MELADBBJSA-N 2 2 283.416 0.552 20 0 CCADLP CC(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001074581849 854753200 /nfs/dbraw/zinc/75/32/00/854753200.db2.gz SNUBDSSAUOXSLM-MELADBBJSA-N 2 2 283.416 0.552 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CCF)CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001074719422 854770519 /nfs/dbraw/zinc/77/05/19/854770519.db2.gz DIJPFWDQOQPPSM-XQQFMLRXSA-N 2 2 294.374 0.994 20 0 CCADLP COC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001098492498 854870146 /nfs/dbraw/zinc/87/01/46/854870146.db2.gz TUBAWAVCZKLGHN-DGAVXFQQSA-N 2 2 292.383 0.640 20 0 CCADLP COC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001098492498 854870150 /nfs/dbraw/zinc/87/01/50/854870150.db2.gz TUBAWAVCZKLGHN-DGAVXFQQSA-N 2 2 292.383 0.640 20 0 CCADLP COC(=O)N(C)CC[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000689549916 854894486 /nfs/dbraw/zinc/89/44/86/854894486.db2.gz WJYAABSKIBKVOJ-GHMZBOCLSA-N 2 2 259.350 0.041 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001099872057 855014402 /nfs/dbraw/zinc/01/44/02/855014402.db2.gz ODIGFTJXXQUYGR-OLZOCXBDSA-N 2 2 280.372 0.302 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001099872057 855014413 /nfs/dbraw/zinc/01/44/13/855014413.db2.gz ODIGFTJXXQUYGR-OLZOCXBDSA-N 2 2 280.372 0.302 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001099872057 855014423 /nfs/dbraw/zinc/01/44/23/855014423.db2.gz ODIGFTJXXQUYGR-OLZOCXBDSA-N 2 2 280.372 0.302 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001099872057 855014432 /nfs/dbraw/zinc/01/44/32/855014432.db2.gz ODIGFTJXXQUYGR-OLZOCXBDSA-N 2 2 280.372 0.302 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1CC([NH2+]CCCO)C1 ZINC001100744275 855217598 /nfs/dbraw/zinc/21/75/98/855217598.db2.gz PWTPYSHOVVBSMA-PNESKVBLSA-N 2 2 294.399 0.455 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1CC([NH2+]CCCO)C1 ZINC001100744275 855217603 /nfs/dbraw/zinc/21/76/03/855217603.db2.gz PWTPYSHOVVBSMA-PNESKVBLSA-N 2 2 294.399 0.455 20 0 CCADLP CO[C@H](C)C[NH2+]C1CC(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001100871385 855233876 /nfs/dbraw/zinc/23/38/76/855233876.db2.gz PCBMKNPOBJPZAS-PNESKVBLSA-N 2 2 294.399 0.482 20 0 CCADLP Cc1nc(NCCN(C)C(=O)C[N@@H+](C)C(C)C)cc[nH+]1 ZINC001101656850 855330803 /nfs/dbraw/zinc/33/08/03/855330803.db2.gz WRRYMUORSUYQLX-UHFFFAOYSA-N 2 2 279.388 0.996 20 0 CCADLP Cc1nc(NCCN(C)C(=O)C[N@H+](C)C(C)C)cc[nH+]1 ZINC001101656850 855330810 /nfs/dbraw/zinc/33/08/10/855330810.db2.gz WRRYMUORSUYQLX-UHFFFAOYSA-N 2 2 279.388 0.996 20 0 CCADLP CC[N@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102513243 855442292 /nfs/dbraw/zinc/44/22/92/855442292.db2.gz BCNHWFCUXJOXOQ-VXGBXAGGSA-N 2 2 264.373 0.667 20 0 CCADLP CC[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102513243 855442298 /nfs/dbraw/zinc/44/22/98/855442298.db2.gz BCNHWFCUXJOXOQ-VXGBXAGGSA-N 2 2 264.373 0.667 20 0 CCADLP CN1CC[N@H+](C[C@@H]2CCCC[NH2+]C2)C(C)(C)C1=O ZINC000696989112 855615526 /nfs/dbraw/zinc/61/55/26/855615526.db2.gz LLCHHIPJMWCXLZ-GFCCVEGCSA-N 2 2 253.390 0.929 20 0 CCADLP CN1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C(C)(C)C1=O ZINC000696989112 855615532 /nfs/dbraw/zinc/61/55/32/855615532.db2.gz LLCHHIPJMWCXLZ-GFCCVEGCSA-N 2 2 253.390 0.929 20 0 CCADLP C[C@H](O)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC001115342516 855663660 /nfs/dbraw/zinc/66/36/60/855663660.db2.gz ZHZAETAYEDPLRR-RMRHIDDWSA-N 2 2 292.383 0.091 20 0 CCADLP C[C@H](O)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC001115342516 855663657 /nfs/dbraw/zinc/66/36/57/855663657.db2.gz ZHZAETAYEDPLRR-RMRHIDDWSA-N 2 2 292.383 0.091 20 0 CCADLP C[C@H]1C[NH+](CCCNc2cc(N)[nH+]cn2)C[C@H](C)O1 ZINC001115989789 855708956 /nfs/dbraw/zinc/70/89/56/855708956.db2.gz YXNRQOAKUGIZQE-QWRGUYRKSA-N 2 2 265.361 0.970 20 0 CCADLP Cn1nnc2cc(C[NH2+]Cc3nc(C[NH3+])cc(=O)[nH]3)ccc21 ZINC001118900334 856484193 /nfs/dbraw/zinc/48/41/93/856484193.db2.gz NCDAMTIGOLQEGZ-UHFFFAOYSA-N 2 2 299.338 0.212 20 0 CCADLP C/C(=C\C(=O)NCCC[NH+]1CCCC1)C[NH+]1CCOCC1 ZINC001119594141 856765047 /nfs/dbraw/zinc/76/50/47/856765047.db2.gz LWMGXOPHGJHQAM-FYWRMAATSA-N 2 2 295.427 0.867 20 0 CCADLP C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001120455015 857076117 /nfs/dbraw/zinc/07/61/17/857076117.db2.gz ZPBNPKIDVZISRH-NEPJUHHUSA-N 2 2 262.357 0.513 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1([NH2+]C[C@H](C)O)CC1 ZINC001392938609 912277083 /nfs/dbraw/zinc/27/70/83/912277083.db2.gz KAHOZAGDSFAEMS-MNOVXSKESA-N 2 2 280.372 0.208 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1([NH2+]C[C@H](C)O)CC1 ZINC001392938609 912277104 /nfs/dbraw/zinc/27/71/04/912277104.db2.gz KAHOZAGDSFAEMS-MNOVXSKESA-N 2 2 280.372 0.208 20 0 CCADLP CC[NH+]1CC(N(C)C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001324018313 912632521 /nfs/dbraw/zinc/63/25/21/912632521.db2.gz UZKUJRYLUCLSNF-LBPRGKRZSA-N 2 2 269.389 0.117 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]Cc2cnon2)CCC1 ZINC001393567937 912652177 /nfs/dbraw/zinc/65/21/77/912652177.db2.gz IAUACJQXJWRJQN-UHFFFAOYSA-N 2 2 295.387 0.538 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]Cc2cnon2)CCC1 ZINC001393567937 912652183 /nfs/dbraw/zinc/65/21/83/912652183.db2.gz IAUACJQXJWRJQN-UHFFFAOYSA-N 2 2 295.387 0.538 20 0 CCADLP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1nnc(C)o1 ZINC001393983600 912897235 /nfs/dbraw/zinc/89/72/35/912897235.db2.gz DLYIWKTVDZHVQV-GHMZBOCLSA-N 2 2 297.403 0.703 20 0 CCADLP CC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1nnc(C)o1 ZINC001393983600 912897257 /nfs/dbraw/zinc/89/72/57/912897257.db2.gz DLYIWKTVDZHVQV-GHMZBOCLSA-N 2 2 297.403 0.703 20 0 CCADLP Cc1nn(CCO)c(C)c1C[NH2+][C@H](C[NH3+])CC(C)C ZINC001325266524 913306637 /nfs/dbraw/zinc/30/66/37/913306637.db2.gz CHSNDWNEXKQUJN-ZDUSSCGKSA-N 2 2 268.405 0.955 20 0 CCADLP CCCCC[NH+]1CC(O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001325307667 913333215 /nfs/dbraw/zinc/33/32/15/913333215.db2.gz GIBKBBFIYLDBLF-UHFFFAOYSA-N 2 2 294.399 0.545 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC001394711736 913382417 /nfs/dbraw/zinc/38/24/17/913382417.db2.gz OHKQNRXEUMDMHQ-NEPJUHHUSA-N 2 2 294.399 0.814 20 0 CCADLP CC[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)CC1CC1 ZINC001481009058 892050976 /nfs/dbraw/zinc/05/09/76/892050976.db2.gz UPCXFHYASDPGOY-UHFFFAOYSA-N 2 2 250.346 0.800 20 0 CCADLP CC[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)CC1CC1 ZINC001481009058 892050986 /nfs/dbraw/zinc/05/09/86/892050986.db2.gz UPCXFHYASDPGOY-UHFFFAOYSA-N 2 2 250.346 0.800 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC001481198764 892298779 /nfs/dbraw/zinc/29/87/79/892298779.db2.gz CLDKOZIZSRMJCJ-ZDUSSCGKSA-N 2 2 292.383 0.500 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC001481198764 892298790 /nfs/dbraw/zinc/29/87/90/892298790.db2.gz CLDKOZIZSRMJCJ-ZDUSSCGKSA-N 2 2 292.383 0.500 20 0 CCADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C/C=C/CO ZINC001353299341 892348500 /nfs/dbraw/zinc/34/85/00/892348500.db2.gz DCHUHDBXDDPOCA-NFAHFFEMSA-N 2 2 264.369 0.617 20 0 CCADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C/C=C/CO ZINC001353299341 892348517 /nfs/dbraw/zinc/34/85/17/892348517.db2.gz DCHUHDBXDDPOCA-NFAHFFEMSA-N 2 2 264.369 0.617 20 0 CCADLP COCCC[NH2+]CCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001481250740 892439074 /nfs/dbraw/zinc/43/90/74/892439074.db2.gz PJVWBGDRLVGZGX-CYBMUJFWSA-N 2 2 294.399 0.530 20 0 CCADLP CCCN(C(=O)Cc1[nH]c[nH+]c1C)[C@H]1CC[N@H+](CCO)C1 ZINC001481411086 892620139 /nfs/dbraw/zinc/62/01/39/892620139.db2.gz UYDCCHPSHBMJSC-ZDUSSCGKSA-N 2 2 294.399 0.566 20 0 CCADLP CCCN(C(=O)Cc1[nH]c[nH+]c1C)[C@H]1CC[N@@H+](CCO)C1 ZINC001481411086 892620143 /nfs/dbraw/zinc/62/01/43/892620143.db2.gz UYDCCHPSHBMJSC-ZDUSSCGKSA-N 2 2 294.399 0.566 20 0 CCADLP COCC[N@H+](C)C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001481494932 892745259 /nfs/dbraw/zinc/74/52/59/892745259.db2.gz CGVLQQBLACWNED-CQSZACIVSA-N 2 2 294.399 0.700 20 0 CCADLP COCC[N@@H+](C)C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001481494932 892745273 /nfs/dbraw/zinc/74/52/73/892745273.db2.gz CGVLQQBLACWNED-CQSZACIVSA-N 2 2 294.399 0.700 20 0 CCADLP COCC[NH+]1CC(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001481573162 892844357 /nfs/dbraw/zinc/84/43/57/892844357.db2.gz OUIZIHDECHJESN-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP CCN(CC[NH2+]CCF)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001497465872 893193917 /nfs/dbraw/zinc/19/39/17/893193917.db2.gz LZPNOZSHBSWIER-LLVKDONJSA-N 2 2 270.352 0.996 20 0 CCADLP CC(C)C[NH2+]CC1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CCCC1 ZINC001481890960 893249150 /nfs/dbraw/zinc/24/91/50/893249150.db2.gz KJHOZKURWRSDMQ-AWEZNQCLSA-N 2 2 297.443 0.992 20 0 CCADLP CC(C)C[NH2+]CC1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCCC1 ZINC001481890960 893249158 /nfs/dbraw/zinc/24/91/58/893249158.db2.gz KJHOZKURWRSDMQ-AWEZNQCLSA-N 2 2 297.443 0.992 20 0 CCADLP COC[C@H](C)[NH2+]C[C@](C)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001481953530 893287887 /nfs/dbraw/zinc/28/78/87/893287887.db2.gz YUWMAZUNGBBCEL-WFASDCNBSA-N 2 2 294.399 0.793 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]C[C@@H]1CCCOC1 ZINC001482153863 893442669 /nfs/dbraw/zinc/44/26/69/893442669.db2.gz CFMIQFUNUKXGQF-STQMWFEESA-N 2 2 294.399 0.721 20 0 CCADLP CC[N@H+](C)CCC(=O)N(C)CC[NH+](C)Cc1ccn(C)n1 ZINC001482642021 894442329 /nfs/dbraw/zinc/44/23/29/894442329.db2.gz UCNCUCXXEWDGML-UHFFFAOYSA-N 2 2 295.431 0.652 20 0 CCADLP CC[N@@H+](C)CCC(=O)N(C)CC[NH+](C)Cc1ccn(C)n1 ZINC001482642021 894442334 /nfs/dbraw/zinc/44/23/34/894442334.db2.gz UCNCUCXXEWDGML-UHFFFAOYSA-N 2 2 295.431 0.652 20 0 CCADLP CC[NH+](C)CCC(=O)N(C)CC[N@H+](C)Cc1ccn(C)n1 ZINC001482642021 894442342 /nfs/dbraw/zinc/44/23/42/894442342.db2.gz UCNCUCXXEWDGML-UHFFFAOYSA-N 2 2 295.431 0.652 20 0 CCADLP CC[NH+](C)CCC(=O)N(C)CC[N@@H+](C)Cc1ccn(C)n1 ZINC001482642021 894442349 /nfs/dbraw/zinc/44/23/49/894442349.db2.gz UCNCUCXXEWDGML-UHFFFAOYSA-N 2 2 295.431 0.652 20 0 CCADLP CC[C@H]([NH3+])C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001326341129 913896616 /nfs/dbraw/zinc/89/66/16/913896616.db2.gz RMTBIHGKILKHAV-RYUDHWBXSA-N 2 2 264.373 0.939 20 0 CCADLP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001326373037 913917667 /nfs/dbraw/zinc/91/76/67/913917667.db2.gz VUJXGVZAXJWMQZ-VWYCJHECSA-N 2 2 254.309 0.603 20 0 CCADLP CO[C@@H](C)C[NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001326371298 913919242 /nfs/dbraw/zinc/91/92/42/913919242.db2.gz RPLMQDKUNCJJCS-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](C)[N@H+](C)CCCO ZINC001409652171 895312415 /nfs/dbraw/zinc/31/24/15/895312415.db2.gz KYDYJGYSOJXYSJ-VXGBXAGGSA-N 2 2 282.388 0.407 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](C)[N@@H+](C)CCCO ZINC001409652171 895312398 /nfs/dbraw/zinc/31/23/98/895312398.db2.gz KYDYJGYSOJXYSJ-VXGBXAGGSA-N 2 2 282.388 0.407 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](C)[N@H+](C)CCCO ZINC001409652171 895312383 /nfs/dbraw/zinc/31/23/83/895312383.db2.gz KYDYJGYSOJXYSJ-VXGBXAGGSA-N 2 2 282.388 0.407 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](C)[N@@H+](C)CCCO ZINC001409652171 895312431 /nfs/dbraw/zinc/31/24/31/895312431.db2.gz KYDYJGYSOJXYSJ-VXGBXAGGSA-N 2 2 282.388 0.407 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[N@H+](C)CCO)ccn12 ZINC001483338548 895477007 /nfs/dbraw/zinc/47/70/07/895477007.db2.gz GAEMWUXMVPSSIC-NSHDSACASA-N 2 2 290.367 0.685 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[N@@H+](C)CCO)ccn12 ZINC001483338548 895477015 /nfs/dbraw/zinc/47/70/15/895477015.db2.gz GAEMWUXMVPSSIC-NSHDSACASA-N 2 2 290.367 0.685 20 0 CCADLP CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001483354798 895491876 /nfs/dbraw/zinc/49/18/76/895491876.db2.gz APBGKKXNLKODEK-NWDGAFQWSA-N 2 2 264.373 0.902 20 0 CCADLP CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001483354798 895491878 /nfs/dbraw/zinc/49/18/78/895491878.db2.gz APBGKKXNLKODEK-NWDGAFQWSA-N 2 2 264.373 0.902 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)C[C@H](C)O)c[nH+]1 ZINC001483354229 895493359 /nfs/dbraw/zinc/49/33/59/895493359.db2.gz YSJHGNFDAAOMMH-STQMWFEESA-N 2 2 296.415 0.744 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[N@H+](C)C[C@H](C)O)c[nH+]1 ZINC001483354229 895493366 /nfs/dbraw/zinc/49/33/66/895493366.db2.gz YSJHGNFDAAOMMH-STQMWFEESA-N 2 2 296.415 0.744 20 0 CCADLP C[C@@H](C[N@H+](C)CCF)NC(=O)CC[NH+]1CCOCC1 ZINC001483395130 895533450 /nfs/dbraw/zinc/53/34/50/895533450.db2.gz FTHKWMOUDXXSOL-LBPRGKRZSA-N 2 2 275.368 0.115 20 0 CCADLP C[C@@H](C[N@@H+](C)CCF)NC(=O)CC[NH+]1CCOCC1 ZINC001483395130 895533461 /nfs/dbraw/zinc/53/34/61/895533461.db2.gz FTHKWMOUDXXSOL-LBPRGKRZSA-N 2 2 275.368 0.115 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]C2(CNC(=O)CC[NH+](C)C)CC2)o1 ZINC001483765147 896028566 /nfs/dbraw/zinc/02/85/66/896028566.db2.gz UEHKLYSKAMQNOK-SNVBAGLBSA-N 2 2 295.387 0.629 20 0 CCADLP CO[C@H](C)C[NH+]1CCC(C)(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001483972060 896134573 /nfs/dbraw/zinc/13/45/73/896134573.db2.gz PJTMXBMGXKFWBS-GFCCVEGCSA-N 2 2 294.399 0.958 20 0 CCADLP CC[C@@H](C)C[NH+]1CC(O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001484313624 896333015 /nfs/dbraw/zinc/33/30/15/896333015.db2.gz WJPHYRNCHWIKPS-GFCCVEGCSA-N 2 2 280.372 0.092 20 0 CCADLP CCCC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001484683197 896539931 /nfs/dbraw/zinc/53/99/31/896539931.db2.gz AQOZWGDZQRIWON-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP CN(CCC[N@H+](C)CCO)C(=O)CCc1c[nH+]cn1C ZINC001484766091 896599853 /nfs/dbraw/zinc/59/98/53/896599853.db2.gz DIFLZTJGWDMYRB-UHFFFAOYSA-N 2 2 282.388 0.125 20 0 CCADLP CN(CCC[N@@H+](C)CCO)C(=O)CCc1c[nH+]cn1C ZINC001484766091 896599859 /nfs/dbraw/zinc/59/98/59/896599859.db2.gz DIFLZTJGWDMYRB-UHFFFAOYSA-N 2 2 282.388 0.125 20 0 CCADLP CO[C@H](C)C[N@H+](C)CCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001484765662 896600194 /nfs/dbraw/zinc/60/01/94/896600194.db2.gz MVGBJBXGXLMZDJ-CYBMUJFWSA-N 2 2 296.415 0.778 20 0 CCADLP CO[C@H](C)C[N@@H+](C)CCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001484765662 896600197 /nfs/dbraw/zinc/60/01/97/896600197.db2.gz MVGBJBXGXLMZDJ-CYBMUJFWSA-N 2 2 296.415 0.778 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001397176468 914082947 /nfs/dbraw/zinc/08/29/47/914082947.db2.gz UGWLQOBBAYVKEQ-GRYCIOLGSA-N 2 2 280.372 0.208 20 0 CCADLP CC[NH2+]CC1(O)CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001484960789 896689479 /nfs/dbraw/zinc/68/94/79/896689479.db2.gz FVNXBKJWSNJQTP-LBPRGKRZSA-N 2 2 294.399 0.551 20 0 CCADLP CC[NH2+]CC1(O)CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001484960789 896689486 /nfs/dbraw/zinc/68/94/86/896689486.db2.gz FVNXBKJWSNJQTP-LBPRGKRZSA-N 2 2 294.399 0.551 20 0 CCADLP CC(C)OCC[NH2+][C@H](C)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001485202190 896845012 /nfs/dbraw/zinc/84/50/12/896845012.db2.gz PDBQHYRJPVUARP-NEPJUHHUSA-N 2 2 282.388 0.860 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)CCn1cc[nH+]c1 ZINC001367385741 897624939 /nfs/dbraw/zinc/62/49/39/897624939.db2.gz SSJQWTIKSVOVOB-OLZOCXBDSA-N 2 2 282.388 0.745 20 0 CCADLP COCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1 ZINC001032550246 897738542 /nfs/dbraw/zinc/73/85/42/897738542.db2.gz JMNFJDBNRQMRCA-STQMWFEESA-N 2 2 278.356 0.205 20 0 CCADLP COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1 ZINC001032550246 897738549 /nfs/dbraw/zinc/73/85/49/897738549.db2.gz JMNFJDBNRQMRCA-STQMWFEESA-N 2 2 278.356 0.205 20 0 CCADLP CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001032636576 897862864 /nfs/dbraw/zinc/86/28/64/897862864.db2.gz MDNWZORJWFVQLC-WUHRBBMRSA-N 2 2 274.368 0.829 20 0 CCADLP CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001032636576 897862871 /nfs/dbraw/zinc/86/28/71/897862871.db2.gz MDNWZORJWFVQLC-WUHRBBMRSA-N 2 2 274.368 0.829 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1O ZINC001078080899 898222680 /nfs/dbraw/zinc/22/26/80/898222680.db2.gz JZMNNLVWJOJZLY-ZIAGYGMSSA-N 2 2 292.383 0.222 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1O ZINC001078080899 898222699 /nfs/dbraw/zinc/22/26/99/898222699.db2.gz JZMNNLVWJOJZLY-ZIAGYGMSSA-N 2 2 292.383 0.222 20 0 CCADLP CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001485891037 898490013 /nfs/dbraw/zinc/49/00/13/898490013.db2.gz PVCUCMJSLQZHFO-NEPJUHHUSA-N 2 2 264.373 0.902 20 0 CCADLP C[C@@H](CC(=O)NC[C@@H](CO)[NH2+]CC1CC1)n1cc[nH+]c1 ZINC001486040125 898605479 /nfs/dbraw/zinc/60/54/79/898605479.db2.gz RNAQMOPOJSCUPL-AAEUAGOBSA-N 2 2 280.372 0.311 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H](CO)[NH2+]CC1CCCCC1 ZINC001486066301 898632351 /nfs/dbraw/zinc/63/23/51/898632351.db2.gz RIUZBBPCKUKMME-AWEZNQCLSA-N 2 2 294.399 0.530 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H](CO)[NH2+]CC1CCCCC1 ZINC001486066302 898633600 /nfs/dbraw/zinc/63/36/00/898633600.db2.gz RIUZBBPCKUKMME-CQSZACIVSA-N 2 2 294.399 0.530 20 0 CCADLP C[C@@H]1[C@H]([NH2+]CCCO)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001486082140 898648306 /nfs/dbraw/zinc/64/83/06/898648306.db2.gz WYKAPHMRMDJLIU-DGCLKSJQSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H]1[C@H]([NH2+]CCCO)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001486082140 898648317 /nfs/dbraw/zinc/64/83/17/898648317.db2.gz WYKAPHMRMDJLIU-DGCLKSJQSA-N 2 2 280.372 0.304 20 0 CCADLP CCOCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@@H]1C ZINC001486093138 898650175 /nfs/dbraw/zinc/65/01/75/898650175.db2.gz USPRCZSHRKUPKY-OLZOCXBDSA-N 2 2 294.399 0.876 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cn1cc[nH+]c1 ZINC001397732939 914343884 /nfs/dbraw/zinc/34/38/84/914343884.db2.gz OMNYNBIAEGUQIH-RDBSUJKOSA-N 2 2 294.399 0.481 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H](C)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001410433097 899405657 /nfs/dbraw/zinc/40/56/57/899405657.db2.gz RNIOSTAZNKIHBO-NWDGAFQWSA-N 2 2 290.367 0.765 20 0 CCADLP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]CC1CCOCC1 ZINC001410542544 899460102 /nfs/dbraw/zinc/46/01/02/899460102.db2.gz REHOHJJRFQWULX-CYBMUJFWSA-N 2 2 294.399 0.746 20 0 CCADLP CC(C)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001410670113 899525045 /nfs/dbraw/zinc/52/50/45/899525045.db2.gz OHGJPLCXIHYXAR-STQMWFEESA-N 2 2 294.399 0.168 20 0 CCADLP CC[C@H](F)C[NH2+][C@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001410789512 899576813 /nfs/dbraw/zinc/57/68/13/899576813.db2.gz UDBFAMBNJPAPRW-QWRGUYRKSA-N 2 2 286.351 0.075 20 0 CCADLP COCCCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001489314014 900465575 /nfs/dbraw/zinc/46/55/75/900465575.db2.gz OGNRDKAHDUKFNA-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP COCCCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001489314014 900465579 /nfs/dbraw/zinc/46/55/79/900465579.db2.gz OGNRDKAHDUKFNA-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@@H]([NH2+]CCO)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001490306095 900595309 /nfs/dbraw/zinc/59/53/09/900595309.db2.gz NGGXURUESMLYKD-YPMHNXCESA-N 2 2 280.372 0.304 20 0 CCADLP CCC[NH+]1CCN(CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001490509652 900658308 /nfs/dbraw/zinc/65/83/08/900658308.db2.gz VQXXSZVRXIPVBI-UHFFFAOYSA-N 2 2 293.415 0.106 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]([NH2+]C[C@@H]1CCOC1)C1CC1 ZINC001490721571 900701211 /nfs/dbraw/zinc/70/12/11/900701211.db2.gz DLPONWKAUQEZQK-WCQYABFASA-N 2 2 292.383 0.473 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H](C)n2cc[nH+]c2)CC1 ZINC001411923609 901332317 /nfs/dbraw/zinc/33/23/17/901332317.db2.gz AXQMKLJFSRHPPI-CHWSQXEVSA-N 2 2 280.372 0.359 20 0 CCADLP COCC[N@@H+]1CCC[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001398232839 914582607 /nfs/dbraw/zinc/58/26/07/914582607.db2.gz OBQJJWFURYFGOQ-ZDUSSCGKSA-N 2 2 294.399 0.580 20 0 CCADLP COCC[N@H+]1CCC[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001398232839 914582643 /nfs/dbraw/zinc/58/26/43/914582643.db2.gz OBQJJWFURYFGOQ-ZDUSSCGKSA-N 2 2 294.399 0.580 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NCCN1CC[NH+](CCF)CC1 ZINC001398272969 914597400 /nfs/dbraw/zinc/59/74/00/914597400.db2.gz PRKAQHFLRZWEMK-UHFFFAOYSA-N 2 2 288.411 0.030 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NCCN1CC[NH+](CCF)CC1 ZINC001398272969 914597405 /nfs/dbraw/zinc/59/74/05/914597405.db2.gz PRKAQHFLRZWEMK-UHFFFAOYSA-N 2 2 288.411 0.030 20 0 CCADLP CCNC(=O)CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC001327585541 914636493 /nfs/dbraw/zinc/63/64/93/914636493.db2.gz NJOKOCCKCQKXOU-UHFFFAOYSA-N 2 2 251.334 0.058 20 0 CCADLP CC[C@@H](C[NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1)OC ZINC001490917342 903234770 /nfs/dbraw/zinc/23/47/70/903234770.db2.gz ZUYOGSSAZCJNTJ-IHRRRGAJSA-N 2 2 294.399 0.935 20 0 CCADLP C[C@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)[NH2+]C[C@H](C)O ZINC001491463625 903609555 /nfs/dbraw/zinc/60/95/55/903609555.db2.gz OZWHDZOWGVUTJR-NEPJUHHUSA-N 2 2 294.399 0.237 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001491536071 903646419 /nfs/dbraw/zinc/64/64/19/903646419.db2.gz YRFHARLPAHIDDO-NWDGAFQWSA-N 2 2 282.388 0.482 20 0 CCADLP C([NH2+][C@H]1CCC[NH2+]C1)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001246248794 904000453 /nfs/dbraw/zinc/00/04/53/904000453.db2.gz PCCNSZSSPDMZRR-STQMWFEESA-N 3 2 253.390 0.487 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001398666987 914775880 /nfs/dbraw/zinc/77/58/80/914775880.db2.gz QDBHOYBWWDUXRG-RWMBFGLXSA-N 2 2 280.372 0.281 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001282523637 904501159 /nfs/dbraw/zinc/50/11/59/904501159.db2.gz QQNHHGRROIUGTG-GFCCVEGCSA-N 2 2 269.389 0.044 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001282523637 904501174 /nfs/dbraw/zinc/50/11/74/904501174.db2.gz QQNHHGRROIUGTG-GFCCVEGCSA-N 2 2 269.389 0.044 20 0 CCADLP CCC[NH+]1CC(CCO)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001282530305 904502275 /nfs/dbraw/zinc/50/22/75/904502275.db2.gz KCUUQWPHOHEUNB-GFCCVEGCSA-N 2 2 269.389 0.044 20 0 CCADLP CCC[NH+]1CC(CCO)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001282530305 904502281 /nfs/dbraw/zinc/50/22/81/904502281.db2.gz KCUUQWPHOHEUNB-GFCCVEGCSA-N 2 2 269.389 0.044 20 0 CCADLP CCOCC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC001284029526 905123717 /nfs/dbraw/zinc/12/37/17/905123717.db2.gz FBOUDBHHCFCUJI-QWHCGFSZSA-N 2 2 280.372 0.499 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[C@@H](C[NH2+]CCO)C1 ZINC001284196947 905183332 /nfs/dbraw/zinc/18/33/32/905183332.db2.gz ONSOQLLCPFRWDQ-CHWSQXEVSA-N 2 2 280.372 0.140 20 0 CCADLP CCOCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001284218852 905202603 /nfs/dbraw/zinc/20/26/03/905202603.db2.gz GWEVNGSKHMOTCL-CHWSQXEVSA-N 2 2 294.399 0.863 20 0 CCADLP Nc1cccc(CNC(=O)NCC[NH+]2CCC([NH3+])CC2)c1 ZINC001336962770 921129392 /nfs/dbraw/zinc/12/93/92/921129392.db2.gz CKRZIUOUIMIJEC-UHFFFAOYSA-N 2 2 291.399 0.491 20 0 CCADLP CN(C[C@@H](O)C[NH2+]C/C=C/Cl)C(=O)Cn1cc[nH+]c1 ZINC001284479298 905316427 /nfs/dbraw/zinc/31/64/27/905316427.db2.gz XRIMHLYQVUYFKC-VUDBWIFFSA-N 2 2 286.763 0.045 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CC(N)=O ZINC001378078643 905407619 /nfs/dbraw/zinc/40/76/19/905407619.db2.gz MGLSHJRABRLZHD-QWHCGFSZSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CC(N)=O ZINC001378078643 905407625 /nfs/dbraw/zinc/40/76/25/905407625.db2.gz MGLSHJRABRLZHD-QWHCGFSZSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)CC(N)=O ZINC001378078643 905407627 /nfs/dbraw/zinc/40/76/27/905407627.db2.gz MGLSHJRABRLZHD-QWHCGFSZSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)CC(N)=O ZINC001378078643 905407632 /nfs/dbraw/zinc/40/76/32/905407632.db2.gz MGLSHJRABRLZHD-QWHCGFSZSA-N 2 2 298.431 0.029 20 0 CCADLP CCN(C(=O)CCCn1cc[nH+]c1)[C@@H]1CC[N@H+](CCO)C1 ZINC001378210072 905503009 /nfs/dbraw/zinc/50/30/09/905503009.db2.gz YYLHMCQUXKVGKB-CQSZACIVSA-N 2 2 294.399 0.578 20 0 CCADLP CCN(C(=O)CCCn1cc[nH+]c1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001378210072 905503028 /nfs/dbraw/zinc/50/30/28/905503028.db2.gz YYLHMCQUXKVGKB-CQSZACIVSA-N 2 2 294.399 0.578 20 0 CCADLP CC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[NH2+]Cc1csnn1 ZINC001378292995 905569697 /nfs/dbraw/zinc/56/96/97/905569697.db2.gz CWKZSJZINQIHIW-JQWIXIFHSA-N 2 2 299.444 0.863 20 0 CCADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccccn1 ZINC001378344460 905600624 /nfs/dbraw/zinc/60/06/24/905600624.db2.gz NLKAELIVGGJEFZ-ZDUSSCGKSA-N 2 2 287.367 0.963 20 0 CCADLP O=C(C[NH+]1CCCC1)NC[C@@H]1C[N@H+](CCCF)CCO1 ZINC001378672539 905748073 /nfs/dbraw/zinc/74/80/73/905748073.db2.gz TWJMNJCOFDRVOC-CYBMUJFWSA-N 2 2 287.379 0.259 20 0 CCADLP O=C(C[NH+]1CCCC1)NC[C@@H]1C[N@@H+](CCCF)CCO1 ZINC001378672539 905748088 /nfs/dbraw/zinc/74/80/88/905748088.db2.gz TWJMNJCOFDRVOC-CYBMUJFWSA-N 2 2 287.379 0.259 20 0 CCADLP COC[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001379066091 905969950 /nfs/dbraw/zinc/96/99/50/905969950.db2.gz QKWMVGARFOGRCB-JHJVBQTASA-N 2 2 294.399 0.938 20 0 CCADLP COC[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001379066091 905969957 /nfs/dbraw/zinc/96/99/57/905969957.db2.gz QKWMVGARFOGRCB-JHJVBQTASA-N 2 2 294.399 0.938 20 0 CCADLP COC[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001379066091 905969966 /nfs/dbraw/zinc/96/99/66/905969966.db2.gz QKWMVGARFOGRCB-JHJVBQTASA-N 2 2 294.399 0.938 20 0 CCADLP COC[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001379066091 905969978 /nfs/dbraw/zinc/96/99/78/905969978.db2.gz QKWMVGARFOGRCB-JHJVBQTASA-N 2 2 294.399 0.938 20 0 CCADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+]C[C@@H]1CCOC1 ZINC001379279056 906109790 /nfs/dbraw/zinc/10/97/90/906109790.db2.gz SFYOZNIVRXVDIO-STQMWFEESA-N 2 2 294.399 0.436 20 0 CCADLP CC[N@@H+]1CC[C@H]1C(=O)N1CCC[NH+](CCOC)CC1 ZINC001292192038 906197084 /nfs/dbraw/zinc/19/70/84/906197084.db2.gz RZZRELMNMPNUSI-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP CC[N@H+]1CC[C@H]1C(=O)N1CCC[NH+](CCOC)CC1 ZINC001292192038 906197099 /nfs/dbraw/zinc/19/70/99/906197099.db2.gz RZZRELMNMPNUSI-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP CC[NH+]1CC[C@H]1C(=O)N1CCC[N@H+](CCOC)CC1 ZINC001292192038 906197108 /nfs/dbraw/zinc/19/71/08/906197108.db2.gz RZZRELMNMPNUSI-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP CC[NH+]1CC[C@H]1C(=O)N1CCC[N@@H+](CCOC)CC1 ZINC001292192038 906197115 /nfs/dbraw/zinc/19/71/15/906197115.db2.gz RZZRELMNMPNUSI-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP Cc1nnc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)[nH]1 ZINC001379517834 906317893 /nfs/dbraw/zinc/31/78/93/906317893.db2.gz FFKXKUNVNIJZJS-JQWIXIFHSA-N 2 2 294.403 0.192 20 0 CCADLP Cc1nnc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)[nH]1 ZINC001379517834 906317900 /nfs/dbraw/zinc/31/79/00/906317900.db2.gz FFKXKUNVNIJZJS-JQWIXIFHSA-N 2 2 294.403 0.192 20 0 CCADLP CC(C)[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001379813455 906491788 /nfs/dbraw/zinc/49/17/88/906491788.db2.gz WVVZSVNTXAMSMW-QWHCGFSZSA-N 2 2 294.399 0.263 20 0 CCADLP CC(C)[NH2+]C[C@H](O)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001379840397 906500222 /nfs/dbraw/zinc/50/02/22/906500222.db2.gz KWNNASYYOGNBNX-STQMWFEESA-N 2 2 282.388 0.652 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC001293933682 906533454 /nfs/dbraw/zinc/53/34/54/906533454.db2.gz WFOCKUVPAHWMDQ-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC001293933682 906533457 /nfs/dbraw/zinc/53/34/57/906533457.db2.gz WFOCKUVPAHWMDQ-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP O[C@@H](C[NH2+]CCCCn1cc[nH+]c1)C1(O)CCOCC1 ZINC001335302645 906642106 /nfs/dbraw/zinc/64/21/06/906642106.db2.gz BZIDDNDEJSAQQE-ZDUSSCGKSA-N 2 2 283.372 0.155 20 0 CCADLP C[C@@H](NC(=O)CCn1cc[nH+]c1)C1CC[NH+](CCO)CC1 ZINC001380127979 906645855 /nfs/dbraw/zinc/64/58/55/906645855.db2.gz AIZYNOBZLUIAPX-CYBMUJFWSA-N 2 2 294.399 0.482 20 0 CCADLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC[NH+](C[C@H](C)O)CC1 ZINC001380135636 906651114 /nfs/dbraw/zinc/65/11/14/906651114.db2.gz XQDGKAQHYMSYHG-NWDGAFQWSA-N 2 2 294.399 0.550 20 0 CCADLP Cn1nccc1C[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001380166856 906665235 /nfs/dbraw/zinc/66/52/35/906665235.db2.gz BUCQTEKMUWWPQI-UHFFFAOYSA-N 2 2 288.355 0.124 20 0 CCADLP CC[N@@H+]1CC[C@@](O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001380564118 906822831 /nfs/dbraw/zinc/82/28/31/906822831.db2.gz BWJQUMCJVREWSF-CQSZACIVSA-N 2 2 280.372 0.236 20 0 CCADLP CC[N@H+]1CC[C@@](O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001380564118 906822840 /nfs/dbraw/zinc/82/28/40/906822840.db2.gz BWJQUMCJVREWSF-CQSZACIVSA-N 2 2 280.372 0.236 20 0 CCADLP CC[NH+]1CC(O)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001380621236 906858376 /nfs/dbraw/zinc/85/83/76/906858376.db2.gz JKRIHVUVHXEGRZ-ZDUSSCGKSA-N 2 2 283.416 0.434 20 0 CCADLP CCC[N@@H+]1CCOC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001380828108 906949571 /nfs/dbraw/zinc/94/95/71/906949571.db2.gz GCQYUJCVZYBWCN-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[N@H+]1CCOC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001380828108 906949584 /nfs/dbraw/zinc/94/95/84/906949584.db2.gz GCQYUJCVZYBWCN-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP CC(C)C[NH2+][C@@]1(CO)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001381050721 907053983 /nfs/dbraw/zinc/05/39/83/907053983.db2.gz YPMIJASFTGBSNJ-HNNXBMFYSA-N 2 2 294.399 0.551 20 0 CCADLP Cn1cnc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC001337806063 921295140 /nfs/dbraw/zinc/29/51/40/921295140.db2.gz PFWZDZXZZSENTJ-MELADBBJSA-N 2 2 264.373 0.667 20 0 CCADLP [NH3+][C@H]1CCC[C@@H](NC(=O)NCCn2cc[nH+]c2)C1 ZINC001337841023 921298425 /nfs/dbraw/zinc/29/84/25/921298425.db2.gz WXQSPXWYEBIWQJ-WDEREUQCSA-N 2 2 251.334 0.452 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccn(C)n1 ZINC001381616052 907331789 /nfs/dbraw/zinc/33/17/89/907331789.db2.gz DNGVFMJAMBWENB-CHWSQXEVSA-N 2 2 293.415 0.308 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH+](C)Cc1ccn(C)n1 ZINC001381616052 907331804 /nfs/dbraw/zinc/33/18/04/907331804.db2.gz DNGVFMJAMBWENB-CHWSQXEVSA-N 2 2 293.415 0.308 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@H+](C)Cc1ccn(C)n1 ZINC001381616052 907331816 /nfs/dbraw/zinc/33/18/16/907331816.db2.gz DNGVFMJAMBWENB-CHWSQXEVSA-N 2 2 293.415 0.308 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)C1)[N@@H+](C)Cc1ccn(C)n1 ZINC001381616052 907331833 /nfs/dbraw/zinc/33/18/33/907331833.db2.gz DNGVFMJAMBWENB-CHWSQXEVSA-N 2 2 293.415 0.308 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C(C)C)o1 ZINC001491682462 907500545 /nfs/dbraw/zinc/50/05/45/907500545.db2.gz LJIXQEJZLZTONF-JTQLQIEISA-N 2 2 283.376 0.313 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)C(C)C)o1 ZINC001491682462 907500558 /nfs/dbraw/zinc/50/05/58/907500558.db2.gz LJIXQEJZLZTONF-JTQLQIEISA-N 2 2 283.376 0.313 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC001337994746 921334734 /nfs/dbraw/zinc/33/47/34/921334734.db2.gz VATNVEFHWHHIIP-JTQLQIEISA-N 2 2 251.334 0.300 20 0 CCADLP C[C@@H](O)CCC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001491839508 907599046 /nfs/dbraw/zinc/59/90/46/907599046.db2.gz XBKAWCOHRFAHRU-OLZOCXBDSA-N 2 2 294.399 0.551 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](CO)[NH2+]Cc1ccccc1 ZINC001382252428 907642304 /nfs/dbraw/zinc/64/23/04/907642304.db2.gz MJYYGYIWNKZIHO-AWEZNQCLSA-N 2 2 288.351 0.219 20 0 CCADLP CC(C)CC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001382479569 907764285 /nfs/dbraw/zinc/76/42/85/907764285.db2.gz LEDVCGWAVJSBPU-CQSZACIVSA-N 2 2 296.415 0.680 20 0 CCADLP CC(C)CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001382479569 907764288 /nfs/dbraw/zinc/76/42/88/907764288.db2.gz LEDVCGWAVJSBPU-CQSZACIVSA-N 2 2 296.415 0.680 20 0 CCADLP C[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)CC[C@@H]1CCCO1 ZINC001492472874 907936164 /nfs/dbraw/zinc/93/61/64/907936164.db2.gz DSBMCVFUOUDDFZ-LBPRGKRZSA-N 2 2 280.372 0.569 20 0 CCADLP C[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)CC[C@@H]1CCCO1 ZINC001492472874 907936175 /nfs/dbraw/zinc/93/61/75/907936175.db2.gz DSBMCVFUOUDDFZ-LBPRGKRZSA-N 2 2 280.372 0.569 20 0 CCADLP C[C@H]1[NH2+]CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H]1C ZINC001340922935 908562021 /nfs/dbraw/zinc/56/20/21/908562021.db2.gz NWFDRHFOLZHCIH-WRWGMCAJSA-N 2 2 262.357 0.732 20 0 CCADLP C[C@H](C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C)n1cc[nH+]c1 ZINC001329308999 908751437 /nfs/dbraw/zinc/75/14/37/908751437.db2.gz MOFPJIGISWAWER-UTUOFQBUSA-N 2 2 250.346 0.995 20 0 CCADLP C[C@@H](C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C)n1cc[nH+]c1 ZINC001329309000 908752713 /nfs/dbraw/zinc/75/27/13/908752713.db2.gz MOFPJIGISWAWER-WOPDTQHZSA-N 2 2 250.346 0.995 20 0 CCADLP C[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001338374645 921450757 /nfs/dbraw/zinc/45/07/57/921450757.db2.gz QNUVFZZGXUKGRZ-HBNTYKKESA-N 2 2 250.346 0.638 20 0 CCADLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@H](O)CCC2(O)CCC2)C1 ZINC001338493302 921486242 /nfs/dbraw/zinc/48/62/42/921486242.db2.gz ZDZADEHIWUKYME-ZIAGYGMSSA-N 2 2 270.417 0.974 20 0 CCADLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@H](O)CCC2(O)CCC2)C1 ZINC001338493302 921486247 /nfs/dbraw/zinc/48/62/47/921486247.db2.gz ZDZADEHIWUKYME-ZIAGYGMSSA-N 2 2 270.417 0.974 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+]Cc1nccn1C ZINC001317658771 909451790 /nfs/dbraw/zinc/45/17/90/909451790.db2.gz WXRJUXLCUKQRMQ-UHFFFAOYSA-N 2 2 290.371 0.242 20 0 CCADLP CN(CC[NH2+]Cc1csnn1)C(=O)C[NH+]1CCCC1 ZINC001317661393 909454735 /nfs/dbraw/zinc/45/47/35/909454735.db2.gz KVHDEKZIQUFCHE-UHFFFAOYSA-N 2 2 283.401 0.182 20 0 CCADLP CCOCC[N@@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001317940034 909546691 /nfs/dbraw/zinc/54/66/91/909546691.db2.gz ASJIGKNNEUOZMX-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP CCOCC[N@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001317940034 909546701 /nfs/dbraw/zinc/54/67/01/909546701.db2.gz ASJIGKNNEUOZMX-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP CCOCC[NH+]1CC(NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001318038935 909597099 /nfs/dbraw/zinc/59/70/99/909597099.db2.gz XZNBZSXZLYJFAH-UHFFFAOYSA-N 2 2 295.427 0.699 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C[NH2+]CCF ZINC001319208692 910039025 /nfs/dbraw/zinc/03/90/25/910039025.db2.gz LVYNVSOPRWYQTH-RYUDHWBXSA-N 2 2 282.363 0.757 20 0 CCADLP COCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001319210275 910042009 /nfs/dbraw/zinc/04/20/09/910042009.db2.gz VITNPLVZGCPURR-QWHCGFSZSA-N 2 2 294.399 0.434 20 0 CCADLP COCC[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCCC1 ZINC001319378909 910121096 /nfs/dbraw/zinc/12/10/96/910121096.db2.gz JTLDLASNOGQMOX-UHFFFAOYSA-N 2 2 280.372 0.617 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]CCCO)CCCC1 ZINC001319385810 910127692 /nfs/dbraw/zinc/12/76/92/910127692.db2.gz BKRMXVKCPAATDA-UHFFFAOYSA-N 2 2 294.399 0.662 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001319710186 910268904 /nfs/dbraw/zinc/26/89/04/910268904.db2.gz SELRQMLQDAHUIG-DGCLKSJQSA-N 2 2 280.372 0.425 20 0 CCADLP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1cnsn1 ZINC001390399870 910397967 /nfs/dbraw/zinc/39/79/67/910397967.db2.gz LJDUNTDHRTTWFO-SNVBAGLBSA-N 2 2 297.428 0.617 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H](O)C[NH2+]C/C=C/Cl ZINC001320226978 910540956 /nfs/dbraw/zinc/54/09/56/910540956.db2.gz JDWLLTIRTXHXBL-CLUFZFBRSA-N 2 2 286.763 0.162 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H](O)C[NH2+]C/C=C/Cl ZINC001320226978 910540965 /nfs/dbraw/zinc/54/09/65/910540965.db2.gz JDWLLTIRTXHXBL-CLUFZFBRSA-N 2 2 286.763 0.162 20 0 CCADLP COC[C@@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001390630216 910551976 /nfs/dbraw/zinc/55/19/76/910551976.db2.gz VDGQZXNYNJPOCI-TZMCWYRMSA-N 2 2 294.399 0.910 20 0 CCADLP COC[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001390630216 910551982 /nfs/dbraw/zinc/55/19/82/910551982.db2.gz VDGQZXNYNJPOCI-TZMCWYRMSA-N 2 2 294.399 0.910 20 0 CCADLP COCC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001417748286 921590335 /nfs/dbraw/zinc/59/03/35/921590335.db2.gz RBFCUPQYKCZAHV-LBPRGKRZSA-N 2 2 294.399 0.866 20 0 CCADLP COCC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001417748286 921590347 /nfs/dbraw/zinc/59/03/47/921590347.db2.gz RBFCUPQYKCZAHV-LBPRGKRZSA-N 2 2 294.399 0.866 20 0 CCADLP CC[N@H+](CCF)CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001390921932 910776424 /nfs/dbraw/zinc/77/64/24/910776424.db2.gz GHYMIRMPOHCDQK-UHFFFAOYSA-N 2 2 286.351 0.757 20 0 CCADLP CC[N@@H+](CCF)CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001390921932 910776438 /nfs/dbraw/zinc/77/64/38/910776438.db2.gz GHYMIRMPOHCDQK-UHFFFAOYSA-N 2 2 286.351 0.757 20 0 CCADLP C[NH+](C)CCCC(=O)NC[C@H]1CC[N@H+](Cc2cnon2)C1 ZINC001391092964 910869490 /nfs/dbraw/zinc/86/94/90/910869490.db2.gz OGWKWMQUZWYJTI-GFCCVEGCSA-N 2 2 295.387 0.350 20 0 CCADLP C[NH+](C)CCCC(=O)NC[C@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001391092964 910869504 /nfs/dbraw/zinc/86/95/04/910869504.db2.gz OGWKWMQUZWYJTI-GFCCVEGCSA-N 2 2 295.387 0.350 20 0 CCADLP CC(C)[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001391218184 910981163 /nfs/dbraw/zinc/98/11/63/910981163.db2.gz XXVUYXDYZYJVQT-UHFFFAOYSA-N 2 2 271.405 0.554 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC1C[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC001391463183 911154122 /nfs/dbraw/zinc/15/41/22/911154122.db2.gz XIKJXUUCNPGGJP-CQSZACIVSA-N 2 2 297.443 0.942 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC1C[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC001391463183 911154136 /nfs/dbraw/zinc/15/41/36/911154136.db2.gz XIKJXUUCNPGGJP-CQSZACIVSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]C[C@@H]1CCCOC1 ZINC001391965874 911487734 /nfs/dbraw/zinc/48/77/34/911487734.db2.gz MBIZWASSTOYPAJ-KGLIPLIRSA-N 2 2 294.399 0.652 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1cnsn1 ZINC001392128435 911594672 /nfs/dbraw/zinc/59/46/72/911594672.db2.gz HKXVYJHABLKORN-LLVKDONJSA-N 2 2 299.444 0.816 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1cnsn1 ZINC001392128435 911594692 /nfs/dbraw/zinc/59/46/92/911594692.db2.gz HKXVYJHABLKORN-LLVKDONJSA-N 2 2 299.444 0.816 20 0 CCADLP C[C@@H](C[NH2+]Cc1ccccn1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001392553039 911928819 /nfs/dbraw/zinc/92/88/19/911928819.db2.gz LORRBGAKRINJFY-JSGCOSHPSA-N 2 2 292.383 0.007 20 0 CCADLP C[C@@H](C[NH2+]Cc1ccccn1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001392553039 911928834 /nfs/dbraw/zinc/92/88/34/911928834.db2.gz LORRBGAKRINJFY-JSGCOSHPSA-N 2 2 292.383 0.007 20 0 CCADLP O=C(N[C@H](C[NH2+]CCO)C1CC1)c1cccc2[nH+]ccn21 ZINC001323036269 912084154 /nfs/dbraw/zinc/08/41/54/912084154.db2.gz ROQXMMHPAYLODS-GFCCVEGCSA-N 2 2 288.351 0.425 20 0 CCADLP COCCC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001327961191 914893138 /nfs/dbraw/zinc/89/31/38/914893138.db2.gz YCRSRCBOHJDIOU-OLZOCXBDSA-N 2 2 280.372 0.356 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001399252241 915094214 /nfs/dbraw/zinc/09/42/14/915094214.db2.gz SMYYZAOVHDGTAP-QWHCGFSZSA-N 2 2 294.399 0.436 20 0 CCADLP CO[C@H](C)C[NH2+][C@H](CNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001418002996 921756772 /nfs/dbraw/zinc/75/67/72/921756772.db2.gz BDCRCMXWSHDEEV-QMTHXVAHSA-N 2 2 294.399 0.780 20 0 CCADLP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]CCCF ZINC001329153070 915713430 /nfs/dbraw/zinc/71/34/30/915713430.db2.gz UFXAQLAMWMYBJA-UWVGGRQHSA-N 2 2 256.325 0.795 20 0 CCADLP CCOCC[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001329203466 915741991 /nfs/dbraw/zinc/74/19/91/915741991.db2.gz SWQWFSUTMUBZGH-NWDGAFQWSA-N 2 2 268.361 0.402 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+](CCCC(C)C)C2)C1 ZINC001400451980 915749513 /nfs/dbraw/zinc/74/95/13/915749513.db2.gz OWCOPSBJENLMRB-OAHLLOKOSA-N 2 2 297.443 0.944 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NC2C[NH+](CCCC(C)C)C2)C1 ZINC001400451980 915749528 /nfs/dbraw/zinc/74/95/28/915749528.db2.gz OWCOPSBJENLMRB-OAHLLOKOSA-N 2 2 297.443 0.944 20 0 CCADLP Cc1cnc(C[N@H+]2CC[C@H](NC(=O)CC[NH+](C)C)C2)cn1 ZINC001400619827 915836862 /nfs/dbraw/zinc/83/68/62/915836862.db2.gz CKIZYIDYJCYLDR-ZDUSSCGKSA-N 2 2 291.399 0.427 20 0 CCADLP Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)CC[NH+](C)C)C2)cn1 ZINC001400619827 915836874 /nfs/dbraw/zinc/83/68/74/915836874.db2.gz CKIZYIDYJCYLDR-ZDUSSCGKSA-N 2 2 291.399 0.427 20 0 CCADLP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+]([C@@H](C)COC)C1 ZINC001400773416 915921559 /nfs/dbraw/zinc/92/15/59/915921559.db2.gz ZBEXVGMINAAWTQ-GXTWGEPZSA-N 2 2 294.399 0.910 20 0 CCADLP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+]([C@@H](C)COC)C1 ZINC001400773416 915921576 /nfs/dbraw/zinc/92/15/76/915921576.db2.gz ZBEXVGMINAAWTQ-GXTWGEPZSA-N 2 2 294.399 0.910 20 0 CCADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+]([C@H]2CC(=O)NC2=O)C1 ZINC001329784431 916185409 /nfs/dbraw/zinc/18/54/09/916185409.db2.gz COBZTMVGQFYILO-MNOVXSKESA-N 2 2 276.340 0.090 20 0 CCADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+]([C@H]2CC(=O)NC2=O)C1 ZINC001329784431 916185416 /nfs/dbraw/zinc/18/54/16/916185416.db2.gz COBZTMVGQFYILO-MNOVXSKESA-N 2 2 276.340 0.090 20 0 CCADLP COC(=O)c1ccc(C[NH2+]CCC[NH+]2CCC2)n1C ZINC001329797473 916192613 /nfs/dbraw/zinc/19/26/13/916192613.db2.gz ARWROINNFORLAY-UHFFFAOYSA-N 2 2 265.357 0.997 20 0 CCADLP C[C@H](C[NH2+]Cc1nnc(C2CC2)o1)NC(=O)CC[NH+](C)C ZINC001401642500 916419262 /nfs/dbraw/zinc/41/92/62/916419262.db2.gz YWRGBECBBBKPIO-SNVBAGLBSA-N 2 2 295.387 0.493 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+](C)CC2(C)COC2)C1 ZINC001330150262 916437232 /nfs/dbraw/zinc/43/72/32/916437232.db2.gz RXZWGHZYWAIBPU-GFCCVEGCSA-N 2 2 292.383 0.662 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+](C)CC2(C)COC2)C1 ZINC001330150262 916437246 /nfs/dbraw/zinc/43/72/46/916437246.db2.gz RXZWGHZYWAIBPU-GFCCVEGCSA-N 2 2 292.383 0.662 20 0 CCADLP C[C@@H](C[N@H+](C)CC[C@@H]1CCCO1)NC(=O)Cn1cc[nH+]c1 ZINC001401823058 916617226 /nfs/dbraw/zinc/61/72/26/916617226.db2.gz ONSBLORYDOCSGT-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@@H](C[N@@H+](C)CC[C@@H]1CCCO1)NC(=O)Cn1cc[nH+]c1 ZINC001401823058 916617234 /nfs/dbraw/zinc/61/72/34/916617234.db2.gz ONSBLORYDOCSGT-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP Cn1nccc1C[N@@H+]1CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001401907641 916677041 /nfs/dbraw/zinc/67/70/41/916677041.db2.gz UQQOXUMPNAZCTI-ZDUSSCGKSA-N 2 2 293.415 0.452 20 0 CCADLP Cn1nccc1C[N@H+]1CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001401907641 916677053 /nfs/dbraw/zinc/67/70/53/916677053.db2.gz UQQOXUMPNAZCTI-ZDUSSCGKSA-N 2 2 293.415 0.452 20 0 CCADLP C[C@@H]1CC[C@H](C[NH2+]C2(CNC(=O)Cc3c[nH]c[nH+]3)CC2)O1 ZINC001401964275 916731530 /nfs/dbraw/zinc/73/15/30/916731530.db2.gz TXGILCSCJIBZKH-DGCLKSJQSA-N 2 2 292.383 0.758 20 0 CCADLP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1cnsn1 ZINC001402064050 916786797 /nfs/dbraw/zinc/78/67/97/916786797.db2.gz WXQGEZJBJDQGEB-LBPRGKRZSA-N 2 2 297.428 0.570 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]1(C)CC[N@H+](CCCO)C1 ZINC001402142294 916836662 /nfs/dbraw/zinc/83/66/62/916836662.db2.gz QUGRKSCDMOMXFM-SWLSCSKDSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]1(C)CC[N@@H+](CCCO)C1 ZINC001402142294 916836678 /nfs/dbraw/zinc/83/66/78/916836678.db2.gz QUGRKSCDMOMXFM-SWLSCSKDSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]1(C)CC[N@H+](CCCO)C1 ZINC001402142294 916836697 /nfs/dbraw/zinc/83/66/97/916836697.db2.gz QUGRKSCDMOMXFM-SWLSCSKDSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]1(C)CC[N@@H+](CCCO)C1 ZINC001402142294 916836714 /nfs/dbraw/zinc/83/67/14/916836714.db2.gz QUGRKSCDMOMXFM-SWLSCSKDSA-N 2 2 294.399 0.551 20 0 CCADLP CCn1ncnc1C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC001330806279 916883226 /nfs/dbraw/zinc/88/32/26/916883226.db2.gz PACCRYQKWFDSKT-GFCCVEGCSA-N 2 2 266.393 0.024 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001402516610 917072229 /nfs/dbraw/zinc/07/22/29/917072229.db2.gz VKGGVRYSHAJPAR-AVGNSLFASA-N 2 2 280.372 0.545 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001402656599 917161380 /nfs/dbraw/zinc/16/13/80/917161380.db2.gz IJZSZFPPTGDRKC-KGLIPLIRSA-N 2 2 294.399 0.482 20 0 CCADLP C[C@@H](O)C[N@H+]1CCC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001402656599 917161386 /nfs/dbraw/zinc/16/13/86/917161386.db2.gz IJZSZFPPTGDRKC-KGLIPLIRSA-N 2 2 294.399 0.482 20 0 CCADLP CCC[NH2+][C@@]1(CO)CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001402713647 917190372 /nfs/dbraw/zinc/19/03/72/917190372.db2.gz FXRDLFFVBSCFPS-AWEZNQCLSA-N 2 2 280.372 0.305 20 0 CCADLP COC[C@H](C)[NH2+][C@@H](C)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001402852803 917289818 /nfs/dbraw/zinc/28/98/18/917289818.db2.gz BMFKVAOWAFXOFQ-QWRGUYRKSA-N 2 2 282.388 0.780 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)CNC(=O)CCC[NH+](C)C)o1 ZINC001402981397 917397302 /nfs/dbraw/zinc/39/73/02/917397302.db2.gz NNJCKIXAFGLYKI-JTQLQIEISA-N 2 2 283.376 0.314 20 0 CCADLP CO[C@H](C)C[N@H+](C)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001403188024 917564453 /nfs/dbraw/zinc/56/44/53/917564453.db2.gz VPMNWHRAQTUDCC-VXGBXAGGSA-N 2 2 282.388 0.434 20 0 CCADLP CO[C@H](C)C[N@@H+](C)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001403188024 917564462 /nfs/dbraw/zinc/56/44/62/917564462.db2.gz VPMNWHRAQTUDCC-VXGBXAGGSA-N 2 2 282.388 0.434 20 0 CCADLP CC[NH2+]CC1(NC(=O)[C@H]2C[N@H+](C)CCO2)CCCCC1 ZINC001403247454 917613959 /nfs/dbraw/zinc/61/39/59/917613959.db2.gz HYFAATQMVRSRSS-CYBMUJFWSA-N 2 2 283.416 0.746 20 0 CCADLP CC[NH2+]CC1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CCCCC1 ZINC001403247454 917613966 /nfs/dbraw/zinc/61/39/66/917613966.db2.gz HYFAATQMVRSRSS-CYBMUJFWSA-N 2 2 283.416 0.746 20 0 CCADLP COCC[NH+]1CC([C@@H](C)NC(=O)CCc2[nH+]ccn2C)C1 ZINC001403309671 917642458 /nfs/dbraw/zinc/64/24/58/917642458.db2.gz GBLALWPZDALXKA-GFCCVEGCSA-N 2 2 294.399 0.436 20 0 CCADLP COC[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001403316898 917647286 /nfs/dbraw/zinc/64/72/86/917647286.db2.gz CHCSZYDYVCKYPO-GHMZBOCLSA-N 2 2 280.372 0.424 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC001331879749 917683552 /nfs/dbraw/zinc/68/35/52/917683552.db2.gz WHHWPRCOGDJNKS-JQWIXIFHSA-N 2 2 265.361 0.737 20 0 CCADLP C[NH+]1CCN(C2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)CC1 ZINC001331984421 917782108 /nfs/dbraw/zinc/78/21/08/917782108.db2.gz RLWLEIPTRHHNLE-AWEZNQCLSA-N 3 2 266.433 0.308 20 0 CCADLP C[C@@H]1CC[C@H](C[N@H+](C)CCNC(=O)CCn2cc[nH+]c2)O1 ZINC001403649807 917886461 /nfs/dbraw/zinc/88/64/61/917886461.db2.gz YKXJHBKFZBLJSF-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@@H]1CC[C@H](C[N@@H+](C)CCNC(=O)CCn2cc[nH+]c2)O1 ZINC001403649807 917886475 /nfs/dbraw/zinc/88/64/75/917886475.db2.gz YKXJHBKFZBLJSF-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@@H](CC(=O)NC[C@@H](CO)[NH2+]CC1CCC1)n1cc[nH+]c1 ZINC001403698545 917939121 /nfs/dbraw/zinc/93/91/21/917939121.db2.gz HQLRJIZSURQREA-JSGCOSHPSA-N 2 2 294.399 0.701 20 0 CCADLP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C)n2cc[nH+]c2)C1 ZINC001332517427 918244279 /nfs/dbraw/zinc/24/42/79/918244279.db2.gz RCDGGFDFQSMZPY-NEPJUHHUSA-N 2 2 250.346 0.902 20 0 CCADLP CCC[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001332527787 918255989 /nfs/dbraw/zinc/25/59/89/918255989.db2.gz DWKVCWVVKNUTQZ-CYBMUJFWSA-N 2 2 296.415 0.746 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCN(C)C(=O)C[N@@H+](C)C(C)C)o1 ZINC001404334282 918313271 /nfs/dbraw/zinc/31/32/71/918313271.db2.gz SGIZQQKXSLJJIK-NSHDSACASA-N 2 2 297.403 0.827 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCN(C)C(=O)C[N@H+](C)C(C)C)o1 ZINC001404334282 918313286 /nfs/dbraw/zinc/31/32/86/918313286.db2.gz SGIZQQKXSLJJIK-NSHDSACASA-N 2 2 297.403 0.827 20 0 CCADLP [NH3+]CC[C@H]1CC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001332815217 918456061 /nfs/dbraw/zinc/45/60/61/918456061.db2.gz FXBWWMLDUAZMAP-JTQLQIEISA-N 2 2 261.329 0.193 20 0 CCADLP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001332815217 918456068 /nfs/dbraw/zinc/45/60/68/918456068.db2.gz FXBWWMLDUAZMAP-JTQLQIEISA-N 2 2 261.329 0.193 20 0 CCADLP Cc1[nH]c(C[NH2+][C@H](CO)C2CCOCC2)c(C)[nH+]1 ZINC001332819283 918459893 /nfs/dbraw/zinc/45/98/93/918459893.db2.gz BGLSDMCCEWYTLF-CYBMUJFWSA-N 2 2 253.346 0.904 20 0 CCADLP C[C@H](C[NH2+]Cc1cnsn1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001405902873 918966948 /nfs/dbraw/zinc/96/69/48/918966948.db2.gz VUDKURTVUUVQHR-MNOVXSKESA-N 2 2 297.428 0.426 20 0 CCADLP C[C@H](C[NH2+]Cc1cnsn1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001405902873 918966962 /nfs/dbraw/zinc/96/69/62/918966962.db2.gz VUDKURTVUUVQHR-MNOVXSKESA-N 2 2 297.428 0.426 20 0 CCADLP CC[C@@H](C)C[N@@H+]1CCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001405914852 918976606 /nfs/dbraw/zinc/97/66/06/918976606.db2.gz VKHCNGHDRSFMMP-OCCSQVGLSA-N 2 2 294.399 0.815 20 0 CCADLP CC[C@@H](C)C[N@H+]1CCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001405914852 918976614 /nfs/dbraw/zinc/97/66/14/918976614.db2.gz VKHCNGHDRSFMMP-OCCSQVGLSA-N 2 2 294.399 0.815 20 0 CCADLP CN(CC[N@H+](C)CCCO)C(=O)c1cc(C[NH+](C)C)on1 ZINC001406108973 919057053 /nfs/dbraw/zinc/05/70/53/919057053.db2.gz DFSZVNGEROQPLN-UHFFFAOYSA-N 2 2 298.387 0.122 20 0 CCADLP CN(CC[N@@H+](C)CCCO)C(=O)c1cc(C[NH+](C)C)on1 ZINC001406108973 919057070 /nfs/dbraw/zinc/05/70/70/919057070.db2.gz DFSZVNGEROQPLN-UHFFFAOYSA-N 2 2 298.387 0.122 20 0 CCADLP CC(C)([NH3+])CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001333710694 919114316 /nfs/dbraw/zinc/11/43/16/919114316.db2.gz HMLHNJQGRDZBKV-JTQLQIEISA-N 2 2 250.346 0.689 20 0 CCADLP Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)[nH]1 ZINC001406390680 919229798 /nfs/dbraw/zinc/22/97/98/919229798.db2.gz FFKXKUNVNIJZJS-PWSUYJOCSA-N 2 2 294.403 0.192 20 0 CCADLP Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)[nH]1 ZINC001406390680 919229810 /nfs/dbraw/zinc/22/98/10/919229810.db2.gz FFKXKUNVNIJZJS-PWSUYJOCSA-N 2 2 294.403 0.192 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccon2)CC1 ZINC001406934377 919543347 /nfs/dbraw/zinc/54/33/47/919543347.db2.gz CZUPSUFHSPVEEB-CYBMUJFWSA-N 2 2 292.383 0.897 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccon2)CC1 ZINC001406934377 919543357 /nfs/dbraw/zinc/54/33/57/919543357.db2.gz CZUPSUFHSPVEEB-CYBMUJFWSA-N 2 2 292.383 0.897 20 0 CCADLP CNC(=O)C1([NH2+]Cc2c[nH+]c(C)n2C)CCOCC1 ZINC001334404009 919555233 /nfs/dbraw/zinc/55/52/33/919555233.db2.gz WAUBJFNRRNYYLY-UHFFFAOYSA-N 2 2 266.345 0.113 20 0 CCADLP COC[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001407098223 919613866 /nfs/dbraw/zinc/61/38/66/919613866.db2.gz HQRAMTINXSAMOH-RYUDHWBXSA-N 2 2 280.372 0.568 20 0 CCADLP C[C@@H](O)C[NH+]1CCC(C)(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001407274550 919684480 /nfs/dbraw/zinc/68/44/80/919684480.db2.gz PRLRNJZFFLNKMJ-GFCCVEGCSA-N 2 2 294.399 0.551 20 0 CCADLP c1cn(CC[NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)c[nH+]1 ZINC001334826010 919789395 /nfs/dbraw/zinc/78/93/95/919789395.db2.gz CPZHZENMHJMTNO-LBPRGKRZSA-N 3 2 275.360 0.189 20 0 CCADLP CC(C)[NH2+]CCN(CCO)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001407667984 919850751 /nfs/dbraw/zinc/85/07/51/919850751.db2.gz VRJICCQFHUQLAH-GFCCVEGCSA-N 2 2 282.388 0.407 20 0 CCADLP CC(C)[NH2+]CCN(CCO)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001407667984 919850759 /nfs/dbraw/zinc/85/07/59/919850759.db2.gz VRJICCQFHUQLAH-GFCCVEGCSA-N 2 2 282.388 0.407 20 0 CCADLP C[C@H](C[NH2+]C[C@H](O)Cn1cccn1)Cn1cc[nH+]c1 ZINC001335351969 920138392 /nfs/dbraw/zinc/13/83/92/920138392.db2.gz UKZZRTJQFLDHHV-OLZOCXBDSA-N 2 2 263.345 0.366 20 0 CCADLP O=C(NCCn1cc[nH+]c1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001335365419 920147089 /nfs/dbraw/zinc/14/70/89/920147089.db2.gz APVQWJWNDNVTPD-NWDGAFQWSA-N 2 2 263.345 0.134 20 0 CCADLP C[NH+](C)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)O)C1(C)C ZINC001335469901 920217012 /nfs/dbraw/zinc/21/70/12/920217012.db2.gz QCVBLTOKUMXQCI-QJPTWQEYSA-N 2 2 258.406 0.827 20 0 CCADLP C[N@@H+]1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](c2ccccc2)C1 ZINC001335497975 920238098 /nfs/dbraw/zinc/23/80/98/920238098.db2.gz NRMNUEMFYAEMKQ-CABCVRRESA-N 2 2 296.436 0.966 20 0 CCADLP C[N@H+]1C[C@@H](C[NH2+]CCS(C)(=O)=O)[C@H](c2ccccc2)C1 ZINC001335497975 920238112 /nfs/dbraw/zinc/23/81/12/920238112.db2.gz NRMNUEMFYAEMKQ-CABCVRRESA-N 2 2 296.436 0.966 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)NCC2CC[NH+](C)CC2)c1 ZINC001414665368 920456617 /nfs/dbraw/zinc/45/66/17/920456617.db2.gz QLWZDURGOLMPLV-UHFFFAOYSA-N 2 2 279.388 0.604 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)[NH2+]C[C@@H](C)O)ccn12 ZINC001418220274 921932500 /nfs/dbraw/zinc/93/25/00/921932500.db2.gz ISXALFWMHUCWJT-ZYHUDNBSSA-N 2 2 290.367 0.731 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CCO1 ZINC001340202057 922008166 /nfs/dbraw/zinc/00/81/66/922008166.db2.gz SLMUZIMFHSEZLB-XQQFMLRXSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CCO1 ZINC001340202057 922008175 /nfs/dbraw/zinc/00/81/75/922008175.db2.gz SLMUZIMFHSEZLB-XQQFMLRXSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1nccn1C ZINC001418415756 922092032 /nfs/dbraw/zinc/09/20/32/922092032.db2.gz FITDWZZWKOGXEB-NSHDSACASA-N 2 2 290.371 0.370 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001340557707 922123465 /nfs/dbraw/zinc/12/34/65/922123465.db2.gz PESWSLCBKFRXOL-UTUOFQBUSA-N 2 2 262.357 0.784 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001340924137 922278949 /nfs/dbraw/zinc/27/89/49/922278949.db2.gz VXAKPBMGFSUBCG-GHMZBOCLSA-N 2 2 250.346 0.560 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1c[nH+]cn1C ZINC001418593572 922290541 /nfs/dbraw/zinc/29/05/41/922290541.db2.gz KKJNTTLUTPXGSR-OLZOCXBDSA-N 2 2 294.399 0.530 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001418666138 922344938 /nfs/dbraw/zinc/34/49/38/922344938.db2.gz MBNYUMNPRPZHRT-UPJWGTAASA-N 2 2 280.372 0.402 20 0 CCADLP CC(C)(C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1c[nH+]c[nH]1 ZINC001341159223 922363135 /nfs/dbraw/zinc/36/31/35/922363135.db2.gz SLGLCWLYLMPVCU-WDEREUQCSA-N 2 2 262.357 0.755 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001341281490 922410909 /nfs/dbraw/zinc/41/09/09/922410909.db2.gz SDSYXDQHRKASNF-NSHDSACASA-N 2 2 265.361 0.704 20 0 CCADLP CC[C@@H](C[NH+]1CC(CNC(=O)CCc2c[nH]c[nH+]2)C1)OC ZINC001419016912 922573466 /nfs/dbraw/zinc/57/34/66/922573466.db2.gz LSQLRNFGPBSGIN-AWEZNQCLSA-N 2 2 294.399 0.815 20 0 CCADLP CC[C@@H](C[NH+]1CC(CNC(=O)CCc2c[nH+]c[nH]2)C1)OC ZINC001419016912 922573483 /nfs/dbraw/zinc/57/34/83/922573483.db2.gz LSQLRNFGPBSGIN-AWEZNQCLSA-N 2 2 294.399 0.815 20 0 CCADLP C[NH2+]C1(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CCC1 ZINC001341604649 922577273 /nfs/dbraw/zinc/57/72/73/922577273.db2.gz HTCDDZIJZPRWIZ-NEPJUHHUSA-N 2 2 269.389 0.354 20 0 CCADLP [NH3+][C@@H]1C[C@@H](NC(=O)/C=C\C[NH+]2CCOCC2)C12CCC2 ZINC001341656135 922607127 /nfs/dbraw/zinc/60/71/27/922607127.db2.gz OWEXLNBSMWTJRU-DSDTWJPKSA-N 2 2 279.384 0.261 20 0 CCADLP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001341666279 922619068 /nfs/dbraw/zinc/61/90/68/922619068.db2.gz SMHDEJJAJXUXAF-NHCYSSNCSA-N 2 2 268.336 0.747 20 0 CCADLP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001341666279 922619078 /nfs/dbraw/zinc/61/90/78/922619078.db2.gz SMHDEJJAJXUXAF-NHCYSSNCSA-N 2 2 268.336 0.747 20 0 CCADLP CC1(C)CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1[NH3+] ZINC001341710703 922637202 /nfs/dbraw/zinc/63/72/02/922637202.db2.gz GDOJJDCNASPZHJ-WDEREUQCSA-N 2 2 262.357 0.641 20 0 CCADLP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001341763266 922660560 /nfs/dbraw/zinc/66/05/60/922660560.db2.gz CJCIZMNQBBTEJX-TUAOUCFPSA-N 2 2 262.357 0.832 20 0 CCADLP CC(C)(CC[NH3+])NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001341877037 922707363 /nfs/dbraw/zinc/70/73/63/922707363.db2.gz JOABNYJDDIGOSA-JTQLQIEISA-N 2 2 250.346 0.689 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@@H+](CCCO)C1 ZINC001419564910 922924412 /nfs/dbraw/zinc/92/44/12/922924412.db2.gz ZWZNCXYOTXXLMJ-CYBMUJFWSA-N 2 2 280.372 0.094 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@H+](CCCO)C1 ZINC001419564910 922924426 /nfs/dbraw/zinc/92/44/26/922924426.db2.gz ZWZNCXYOTXXLMJ-CYBMUJFWSA-N 2 2 280.372 0.094 20 0 CCADLP CC(C)([NH3+])CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001342363645 922929397 /nfs/dbraw/zinc/92/93/97/922929397.db2.gz ILRSBVGAUWWWDH-SNVBAGLBSA-N 2 2 250.346 0.689 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NC)[NH+](C)C ZINC001419611701 922947880 /nfs/dbraw/zinc/94/78/80/922947880.db2.gz VZMMPIKXCQFXLB-STQMWFEESA-N 2 2 298.431 0.043 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NC)[NH+](C)C ZINC001419611701 922947893 /nfs/dbraw/zinc/94/78/93/922947893.db2.gz VZMMPIKXCQFXLB-STQMWFEESA-N 2 2 298.431 0.043 20 0 CCADLP CCCSCC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001342475691 922974616 /nfs/dbraw/zinc/97/46/16/922974616.db2.gz HRWDPMSVPIQEGA-UHFFFAOYSA-N 2 2 259.419 0.669 20 0 CCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001342790519 923091105 /nfs/dbraw/zinc/09/11/05/923091105.db2.gz HXJDLZUJZYKLEB-YFVNTRNASA-N 2 2 260.341 0.200 20 0 CCADLP [NH3+][C@H](CO)C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001343023418 923170648 /nfs/dbraw/zinc/17/06/48/923170648.db2.gz WNNGQHHTCQUEFW-LLVKDONJSA-N 2 2 264.329 0.330 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)[C@H](C)C(N)=O ZINC001419968114 923197069 /nfs/dbraw/zinc/19/70/69/923197069.db2.gz RVLZESJISNTNJO-CHWSQXEVSA-N 2 2 298.431 0.123 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)[C@H](C)C(N)=O ZINC001419968114 923197083 /nfs/dbraw/zinc/19/70/83/923197083.db2.gz RVLZESJISNTNJO-CHWSQXEVSA-N 2 2 298.431 0.123 20 0 CCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@H+](C)[C@H](C)C(N)=O ZINC001419968114 923197098 /nfs/dbraw/zinc/19/70/98/923197098.db2.gz RVLZESJISNTNJO-CHWSQXEVSA-N 2 2 298.431 0.123 20 0 CCADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@@H+](C)[C@H](C)C(N)=O ZINC001419968114 923197112 /nfs/dbraw/zinc/19/71/12/923197112.db2.gz RVLZESJISNTNJO-CHWSQXEVSA-N 2 2 298.431 0.123 20 0 CCADLP CN(CC[N@H+](C)CC[C@H]1CCOC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001420021932 923243581 /nfs/dbraw/zinc/24/35/81/923243581.db2.gz VGPADGWMTRAOMK-ZDUSSCGKSA-N 2 2 294.399 0.769 20 0 CCADLP CN(CC[N@@H+](C)CC[C@H]1CCOC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001420021932 923243596 /nfs/dbraw/zinc/24/35/96/923243596.db2.gz VGPADGWMTRAOMK-ZDUSSCGKSA-N 2 2 294.399 0.769 20 0 CCADLP C[NH2+]C1CC(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)C1 ZINC001343394287 923297737 /nfs/dbraw/zinc/29/77/37/923297737.db2.gz LJXZYKQWZSWGCD-VOMCLLRMSA-N 2 2 250.346 0.633 20 0 CCADLP C[C@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccn(C)n1 ZINC001420164369 923358211 /nfs/dbraw/zinc/35/82/11/923358211.db2.gz YQQKDCAMUJJZAS-LLVKDONJSA-N 2 2 290.371 0.370 20 0 CCADLP CC[C@@H](C)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001420281297 923494104 /nfs/dbraw/zinc/49/41/04/923494104.db2.gz DGLAFUKLLOLWPX-CHWSQXEVSA-N 2 2 298.431 0.043 20 0 CCADLP CC[C@@H](C)NC(=O)C[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001420281297 923494112 /nfs/dbraw/zinc/49/41/12/923494112.db2.gz DGLAFUKLLOLWPX-CHWSQXEVSA-N 2 2 298.431 0.043 20 0 CCADLP CC[C@@H](C)NC(=O)C[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001420281297 923494121 /nfs/dbraw/zinc/49/41/21/923494121.db2.gz DGLAFUKLLOLWPX-CHWSQXEVSA-N 2 2 298.431 0.043 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[N@H+](C)C[C@H]1CCOC1 ZINC001420346885 923565197 /nfs/dbraw/zinc/56/51/97/923565197.db2.gz XJSNMXMIHMFVST-CYBMUJFWSA-N 2 2 294.399 0.437 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[N@@H+](C)C[C@H]1CCOC1 ZINC001420346885 923565207 /nfs/dbraw/zinc/56/52/07/923565207.db2.gz XJSNMXMIHMFVST-CYBMUJFWSA-N 2 2 294.399 0.437 20 0 CCADLP C[C@@H](C[N@H+](C)C[C@@H]1CCOC1)NC(=O)CCn1cc[nH+]c1 ZINC001420614238 923825157 /nfs/dbraw/zinc/82/51/57/923825157.db2.gz HFWBZVDKPOCMAV-KBPBESRZSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@@H](C[N@@H+](C)C[C@@H]1CCOC1)NC(=O)CCn1cc[nH+]c1 ZINC001420614238 923825167 /nfs/dbraw/zinc/82/51/67/923825167.db2.gz HFWBZVDKPOCMAV-KBPBESRZSA-N 2 2 294.399 0.746 20 0 CCADLP CC[C@H](C[N@H+](C)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1)OC ZINC001420643821 923847154 /nfs/dbraw/zinc/84/71/54/923847154.db2.gz XRYAYZOFJOYJLU-NWDGAFQWSA-N 2 2 282.388 0.814 20 0 CCADLP CC[C@H](C[N@@H+](C)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1)OC ZINC001420643821 923847170 /nfs/dbraw/zinc/84/71/70/923847170.db2.gz XRYAYZOFJOYJLU-NWDGAFQWSA-N 2 2 282.388 0.814 20 0 CCADLP COCC[N@H+](C)C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001420662414 923861992 /nfs/dbraw/zinc/86/19/92/923861992.db2.gz MJGRFXQMZUXTGT-GFCCVEGCSA-N 2 2 282.388 0.436 20 0 CCADLP COCC[N@@H+](C)C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001420662414 923862001 /nfs/dbraw/zinc/86/20/01/923862001.db2.gz MJGRFXQMZUXTGT-GFCCVEGCSA-N 2 2 282.388 0.436 20 0 CCADLP CCC[N@H+](C)CC(=O)Nc1cc2n(n1)CC[NH2+]C2 ZINC001345443983 923888257 /nfs/dbraw/zinc/88/82/57/923888257.db2.gz LXTONSRPDQGNDA-UHFFFAOYSA-N 2 2 251.334 0.267 20 0 CCADLP COCCc1noc(C[NH+]2CCC(OCCC[NH3+])CC2)n1 ZINC001346017292 924043369 /nfs/dbraw/zinc/04/33/69/924043369.db2.gz MHHANOHLCDKNFI-UHFFFAOYSA-N 2 2 298.387 0.588 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC001346058180 924057866 /nfs/dbraw/zinc/05/78/66/924057866.db2.gz WAMFRLMRZKRMDP-QWRGUYRKSA-N 2 2 250.346 0.786 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC001346058180 924057881 /nfs/dbraw/zinc/05/78/81/924057881.db2.gz WAMFRLMRZKRMDP-QWRGUYRKSA-N 2 2 250.346 0.786 20 0 CCADLP Cc1c[nH]c(=O)c(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC001346162996 924092806 /nfs/dbraw/zinc/09/28/06/924092806.db2.gz PAVVSOKPNTYEQE-CYBMUJFWSA-N 2 2 265.357 0.640 20 0 CCADLP Cc1c[nH]c(=O)c(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC001346162996 924092815 /nfs/dbraw/zinc/09/28/15/924092815.db2.gz PAVVSOKPNTYEQE-CYBMUJFWSA-N 2 2 265.357 0.640 20 0 CCADLP CC[C@H](C(=O)NC1C[NH+](CCOC)C1)[NH+](CC)CC ZINC001421067738 924133937 /nfs/dbraw/zinc/13/39/37/924133937.db2.gz ANKHKCZFMFAQNI-CYBMUJFWSA-N 2 2 271.405 0.554 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001421124279 924165541 /nfs/dbraw/zinc/16/55/41/924165541.db2.gz ZTCFWJXSRWIZMS-OCCSQVGLSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001421124279 924165547 /nfs/dbraw/zinc/16/55/47/924165547.db2.gz ZTCFWJXSRWIZMS-OCCSQVGLSA-N 2 2 294.399 0.958 20 0 CCADLP C[NH+](C)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C2(O)CCC2)C12CCC2 ZINC001346376920 924180951 /nfs/dbraw/zinc/18/09/51/924180951.db2.gz KDJGIWRQPLOCQJ-JHJVBQTASA-N 2 2 268.401 0.725 20 0 CCADLP CC[C@@H](F)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001421212676 924221405 /nfs/dbraw/zinc/22/14/05/924221405.db2.gz AFKZFYXGLPYIAA-AGIUHOORSA-N 2 2 271.380 0.971 20 0 CCADLP CC[C@@H](F)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001421212676 924221419 /nfs/dbraw/zinc/22/14/19/924221419.db2.gz AFKZFYXGLPYIAA-AGIUHOORSA-N 2 2 271.380 0.971 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001346467982 924230506 /nfs/dbraw/zinc/23/05/06/924230506.db2.gz LFOASWSTHXNWOB-QWHCGFSZSA-N 2 2 264.373 0.952 20 0 CCADLP Cn1cc[nH+]c1CCNC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC001348266943 924632240 /nfs/dbraw/zinc/63/22/40/924632240.db2.gz SBDWENYVYYFIEN-NSHDSACASA-N 2 2 264.373 0.952 20 0 CCADLP Cn1cc[nH+]c1CCNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC001348266943 924632243 /nfs/dbraw/zinc/63/22/43/924632243.db2.gz SBDWENYVYYFIEN-NSHDSACASA-N 2 2 264.373 0.952 20 0 CCADLP CC[N@@H+]1CCCN(C(=O)NCCc2cn(C)c[nH+]2)CC1 ZINC001413854932 925768254 /nfs/dbraw/zinc/76/82/54/925768254.db2.gz JHYTWDNEVQSWMA-UHFFFAOYSA-N 2 2 279.388 0.700 20 0 CCADLP CC[N@H+]1CCCN(C(=O)NCCc2cn(C)c[nH+]2)CC1 ZINC001413854932 925768261 /nfs/dbraw/zinc/76/82/61/925768261.db2.gz JHYTWDNEVQSWMA-UHFFFAOYSA-N 2 2 279.388 0.700 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001413856285 925809829 /nfs/dbraw/zinc/80/98/29/925809829.db2.gz AJQRXHSOOPMWLX-LBPRGKRZSA-N 2 2 285.351 0.958 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC001354548011 926128679 /nfs/dbraw/zinc/12/86/79/926128679.db2.gz PWVYUNRSRVZCCW-DDHJBXDOSA-N 2 2 262.357 0.910 20 0 CCADLP Cc1cc(C)c(CNC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)c[nH+]1 ZINC001356427114 926380524 /nfs/dbraw/zinc/38/05/24/926380524.db2.gz GIKMOIGRUXYJTM-AULYBMBSSA-N 2 2 290.367 0.168 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)NCCCCn1cc[nH+]c1 ZINC001356586042 926406583 /nfs/dbraw/zinc/40/65/83/926406583.db2.gz PPESHMXXUITJSF-OLZOCXBDSA-N 2 2 279.388 0.818 20 0 CCADLP C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1CC[NH3+] ZINC001357801241 926599332 /nfs/dbraw/zinc/59/93/32/926599332.db2.gz FKHBPAJBGFIUQN-GHMZBOCLSA-N 2 2 250.346 0.928 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)C2CC3(CC3)C2)CC1 ZINC001358111914 926639524 /nfs/dbraw/zinc/63/95/24/926639524.db2.gz SVGNJWZPGICSMX-UHFFFAOYSA-N 2 2 251.374 0.716 20 0 CCADLP CC[C@H](C(=O)NCC1(O)C[NH+](CC)C1)[NH+](CC)CC ZINC001421487010 926774090 /nfs/dbraw/zinc/77/40/90/926774090.db2.gz MXBLGLCXWXLNTF-GFCCVEGCSA-N 2 2 271.405 0.290 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]CC1CCOCC1 ZINC001421730679 926877927 /nfs/dbraw/zinc/87/79/27/926877927.db2.gz WYAPCAVXICMCIE-GFCCVEGCSA-N 2 2 294.399 0.721 20 0 CCADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+]Cc1ccon1 ZINC001421730413 926879743 /nfs/dbraw/zinc/87/97/43/926879743.db2.gz RHVITPAHTVZCKV-GFCCVEGCSA-N 2 2 291.355 0.803 20 0 CCADLP C[C@@H](C[NH2+]Cc1ccccn1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001421954839 927016107 /nfs/dbraw/zinc/01/61/07/927016107.db2.gz IXINOUGYVJAWFP-LBPRGKRZSA-N 2 2 287.367 0.984 20 0 CCADLP CC[N@@H+]1CC[C@H]1C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC001361726530 927280117 /nfs/dbraw/zinc/28/01/17/927280117.db2.gz HMLWPHORVRCMEZ-KBPBESRZSA-N 2 2 283.416 0.554 20 0 CCADLP CC[N@H+]1CC[C@H]1C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC001361726530 927280125 /nfs/dbraw/zinc/28/01/25/927280125.db2.gz HMLWPHORVRCMEZ-KBPBESRZSA-N 2 2 283.416 0.554 20 0 CCADLP CC[NH+]1CC[C@H]1C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001361726530 927280135 /nfs/dbraw/zinc/28/01/35/927280135.db2.gz HMLWPHORVRCMEZ-KBPBESRZSA-N 2 2 283.416 0.554 20 0 CCADLP CC[NH+]1CC[C@H]1C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001361726530 927280143 /nfs/dbraw/zinc/28/01/43/927280143.db2.gz HMLWPHORVRCMEZ-KBPBESRZSA-N 2 2 283.416 0.554 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001422508145 927330971 /nfs/dbraw/zinc/33/09/71/927330971.db2.gz RKLGNLUHPIYACS-VXGBXAGGSA-N 2 2 295.383 0.762 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CCO1 ZINC001361997325 927509599 /nfs/dbraw/zinc/50/95/99/927509599.db2.gz UTCFYMVNJUKKRU-QLFBSQMISA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CCO1 ZINC001361997325 927509605 /nfs/dbraw/zinc/50/96/05/927509605.db2.gz UTCFYMVNJUKKRU-QLFBSQMISA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC(N)=O ZINC001422850629 927549880 /nfs/dbraw/zinc/54/98/80/927549880.db2.gz JJWHHLNUOMGYDC-OLZOCXBDSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC(N)=O ZINC001422850629 927549889 /nfs/dbraw/zinc/54/98/89/927549889.db2.gz JJWHHLNUOMGYDC-OLZOCXBDSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CC(N)=O ZINC001422850629 927549896 /nfs/dbraw/zinc/54/98/96/927549896.db2.gz JJWHHLNUOMGYDC-OLZOCXBDSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CC(N)=O ZINC001422850629 927549905 /nfs/dbraw/zinc/54/99/05/927549905.db2.gz JJWHHLNUOMGYDC-OLZOCXBDSA-N 2 2 298.431 0.029 20 0 CCADLP Cn1cc(C[N@@H+]2CC[C@@H]2CNC(=O)CCC[NH+](C)C)cn1 ZINC001423108011 927679579 /nfs/dbraw/zinc/67/95/79/927679579.db2.gz HFNRGRUHDBTOBI-CQSZACIVSA-N 2 2 293.415 0.452 20 0 CCADLP Cn1cc(C[N@H+]2CC[C@@H]2CNC(=O)CCC[NH+](C)C)cn1 ZINC001423108011 927679589 /nfs/dbraw/zinc/67/95/89/927679589.db2.gz HFNRGRUHDBTOBI-CQSZACIVSA-N 2 2 293.415 0.452 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1csnn1 ZINC001423159476 927700729 /nfs/dbraw/zinc/70/07/29/927700729.db2.gz ONJFWRRTKPFDOF-LLVKDONJSA-N 2 2 299.444 0.816 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1csnn1 ZINC001423159476 927700739 /nfs/dbraw/zinc/70/07/39/927700739.db2.gz ONJFWRRTKPFDOF-LLVKDONJSA-N 2 2 299.444 0.816 20 0 CCADLP CC(C)C[NH2+][C@@H](CO)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001423232748 927754275 /nfs/dbraw/zinc/75/42/75/927754275.db2.gz RHRSPRJFWQKUQH-GFCCVEGCSA-N 2 2 290.367 0.899 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](CO)[NH2+]CCC1CCCC1 ZINC001423274462 927783458 /nfs/dbraw/zinc/78/34/58/927783458.db2.gz RXBVXRWTYFYNOP-CQSZACIVSA-N 2 2 294.399 0.599 20 0 CCADLP C[C@]1(NC(=O)CCCn2cc[nH+]c2)CC[N@H+](CCO)C1 ZINC001423599859 927938665 /nfs/dbraw/zinc/93/86/65/927938665.db2.gz STLIXWQDQHTSLK-AWEZNQCLSA-N 2 2 280.372 0.236 20 0 CCADLP C[C@]1(NC(=O)CCCn2cc[nH+]c2)CC[N@@H+](CCO)C1 ZINC001423599859 927938676 /nfs/dbraw/zinc/93/86/76/927938676.db2.gz STLIXWQDQHTSLK-AWEZNQCLSA-N 2 2 280.372 0.236 20 0 CCADLP CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001424048539 928074286 /nfs/dbraw/zinc/07/42/86/928074286.db2.gz VSKYRUJREBLXTD-WFASDCNBSA-N 2 2 294.399 0.551 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1csnn1 ZINC001424859818 928319907 /nfs/dbraw/zinc/31/99/07/928319907.db2.gz RCHVATYJOYQGKB-GHMZBOCLSA-N 2 2 299.444 0.861 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1csnn1 ZINC001424859818 928319919 /nfs/dbraw/zinc/31/99/19/928319919.db2.gz RCHVATYJOYQGKB-GHMZBOCLSA-N 2 2 299.444 0.861 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[N@H+](C)CCF ZINC001424964740 928370378 /nfs/dbraw/zinc/37/03/78/928370378.db2.gz COAWWEBWEMNXLM-VXGBXAGGSA-N 2 2 282.363 0.852 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[N@@H+](C)CCF ZINC001424964740 928370392 /nfs/dbraw/zinc/37/03/92/928370392.db2.gz COAWWEBWEMNXLM-VXGBXAGGSA-N 2 2 282.363 0.852 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[N@H+](C)CCF ZINC001424964728 928371822 /nfs/dbraw/zinc/37/18/22/928371822.db2.gz COAWWEBWEMNXLM-NEPJUHHUSA-N 2 2 282.363 0.852 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[N@@H+](C)CCF ZINC001424964728 928371836 /nfs/dbraw/zinc/37/18/36/928371836.db2.gz COAWWEBWEMNXLM-NEPJUHHUSA-N 2 2 282.363 0.852 20 0 CCADLP CC[C@@H](C[N@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1)OC ZINC001425065379 928420458 /nfs/dbraw/zinc/42/04/58/928420458.db2.gz BEFKQFOKFNSTMV-OLZOCXBDSA-N 2 2 282.388 0.745 20 0 CCADLP CC[C@@H](C[N@@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1)OC ZINC001425065379 928420459 /nfs/dbraw/zinc/42/04/59/928420459.db2.gz BEFKQFOKFNSTMV-OLZOCXBDSA-N 2 2 282.388 0.745 20 0 CCADLP C[C@H](O)C[NH2+]CC1(NC(=O)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001425169616 928452191 /nfs/dbraw/zinc/45/21/91/928452191.db2.gz VYOVQWDQWREPKA-LBPRGKRZSA-N 2 2 294.399 0.742 20 0 CCADLP C[NH+](C)Cc1ccc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)o1 ZINC001362769946 928465817 /nfs/dbraw/zinc/46/58/17/928465817.db2.gz LBBNSHFUZQHDGY-LLVKDONJSA-N 2 2 281.356 0.138 20 0 CCADLP C[NH+](C)Cc1ccc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)o1 ZINC001362769946 928465832 /nfs/dbraw/zinc/46/58/32/928465832.db2.gz LBBNSHFUZQHDGY-LLVKDONJSA-N 2 2 281.356 0.138 20 0 CCADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)CCc1c[nH+]cn1C ZINC001362906003 928638389 /nfs/dbraw/zinc/63/83/89/928638389.db2.gz RHOSVALPSFTFFS-CHWSQXEVSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)CCc1c[nH+]cn1C ZINC001362906003 928638394 /nfs/dbraw/zinc/63/83/94/928638394.db2.gz RHOSVALPSFTFFS-CHWSQXEVSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](CO)[NH2+]CC1CC1 ZINC001425830087 928679658 /nfs/dbraw/zinc/67/96/58/928679658.db2.gz YZVUFRXBJAHDPS-MFKMUULPSA-N 2 2 280.372 0.065 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](CO)[NH2+]CC1CC1 ZINC001425830087 928679665 /nfs/dbraw/zinc/67/96/65/928679665.db2.gz YZVUFRXBJAHDPS-MFKMUULPSA-N 2 2 280.372 0.065 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](CO)[NH2+]CC1CC1 ZINC001425830078 928680855 /nfs/dbraw/zinc/68/08/55/928680855.db2.gz YZVUFRXBJAHDPS-GWCFXTLKSA-N 2 2 280.372 0.065 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](CO)[NH2+]CC1CC1 ZINC001425830078 928680861 /nfs/dbraw/zinc/68/08/61/928680861.db2.gz YZVUFRXBJAHDPS-GWCFXTLKSA-N 2 2 280.372 0.065 20 0 CCADLP CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001426069674 928751558 /nfs/dbraw/zinc/75/15/58/928751558.db2.gz SHTCGMDFSMQDIR-STQMWFEESA-N 2 2 294.399 0.217 20 0 CCADLP CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001426069674 928751563 /nfs/dbraw/zinc/75/15/63/928751563.db2.gz SHTCGMDFSMQDIR-STQMWFEESA-N 2 2 294.399 0.217 20 0 CCADLP CC[N@@H+]1CC[C@H]1C(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC001363051282 928810056 /nfs/dbraw/zinc/81/00/56/928810056.db2.gz NPQYTECLQPXUCR-AWEZNQCLSA-N 2 2 281.400 0.404 20 0 CCADLP CC[N@H+]1CC[C@H]1C(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC001363051282 928810070 /nfs/dbraw/zinc/81/00/70/928810070.db2.gz NPQYTECLQPXUCR-AWEZNQCLSA-N 2 2 281.400 0.404 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1nc(CO)cs1 ZINC001363368900 929154163 /nfs/dbraw/zinc/15/41/63/929154163.db2.gz ILIPLDNFVNAJEM-LLVKDONJSA-N 2 2 284.429 0.361 20 0 CCADLP O=C(CC[N@H+]1CC[C@H](F)C1)N[C@H]1CCc2c[nH+]cn2C1 ZINC001363459919 929262917 /nfs/dbraw/zinc/26/29/17/929262917.db2.gz SGWNIAWIXKXUSP-RYUDHWBXSA-N 2 2 280.347 0.748 20 0 CCADLP O=C(CC[N@@H+]1CC[C@H](F)C1)N[C@H]1CCc2c[nH+]cn2C1 ZINC001363459919 929262927 /nfs/dbraw/zinc/26/29/27/929262927.db2.gz SGWNIAWIXKXUSP-RYUDHWBXSA-N 2 2 280.347 0.748 20 0 CCADLP O=C(CC[N@H+]1CC[C@H](F)C1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC001363459826 929263301 /nfs/dbraw/zinc/26/33/01/929263301.db2.gz VCIGFGJHSLRSAR-NWDGAFQWSA-N 2 2 280.347 0.748 20 0 CCADLP O=C(CC[N@@H+]1CC[C@H](F)C1)N[C@@H]1CCn2c[nH+]cc2C1 ZINC001363459826 929263313 /nfs/dbraw/zinc/26/33/13/929263313.db2.gz VCIGFGJHSLRSAR-NWDGAFQWSA-N 2 2 280.347 0.748 20 0 CCADLP CC(C)(C(=O)N1CC([NH2+]C2CCOCC2)C1)c1c[nH+]c[nH]1 ZINC001363488355 929294614 /nfs/dbraw/zinc/29/46/14/929294614.db2.gz BSGARFKGSNNJDZ-UHFFFAOYSA-N 2 2 292.383 0.667 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC1C[NH+](CCC[C@H]2CCOC2)C1 ZINC001443563927 929647023 /nfs/dbraw/zinc/64/70/23/929647023.db2.gz SZWHWKQAMBKUSV-AWEZNQCLSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC1C[NH+](CCC[C@H]2CCOC2)C1 ZINC001443563927 929647026 /nfs/dbraw/zinc/64/70/26/929647026.db2.gz SZWHWKQAMBKUSV-AWEZNQCLSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001443587715 929654575 /nfs/dbraw/zinc/65/45/75/929654575.db2.gz XWXLTRSZGUNINA-MJBXVCDLSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001443587715 929654584 /nfs/dbraw/zinc/65/45/84/929654584.db2.gz XWXLTRSZGUNINA-MJBXVCDLSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001443587715 929654591 /nfs/dbraw/zinc/65/45/91/929654591.db2.gz XWXLTRSZGUNINA-MJBXVCDLSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001443587715 929654595 /nfs/dbraw/zinc/65/45/95/929654595.db2.gz XWXLTRSZGUNINA-MJBXVCDLSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H](O)CCC[NH+]1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001443670734 929671509 /nfs/dbraw/zinc/67/15/09/929671509.db2.gz UDZTWGOOPLQBQL-LBPRGKRZSA-N 2 2 280.372 0.092 20 0 CCADLP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+][C@H](C)c1nc(C)no1 ZINC001443987755 929761920 /nfs/dbraw/zinc/76/19/20/929761920.db2.gz STMRYFSFVGBGPC-PWSUYJOCSA-N 2 2 297.403 0.875 20 0 CCADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)CC[C@H]1CCCO1 ZINC001372489573 929853610 /nfs/dbraw/zinc/85/36/10/929853610.db2.gz SYHIVGMGKIECRH-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)CC[C@H]1CCCO1 ZINC001372489573 929853619 /nfs/dbraw/zinc/85/36/19/929853619.db2.gz SYHIVGMGKIECRH-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CCC[N@@H+]1CCCF ZINC001372569501 929885532 /nfs/dbraw/zinc/88/55/32/929885532.db2.gz NWCLLPCYDKUPKS-GFCCVEGCSA-N 2 2 282.363 0.903 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CCC[N@H+]1CCCF ZINC001372569501 929885538 /nfs/dbraw/zinc/88/55/38/929885538.db2.gz NWCLLPCYDKUPKS-GFCCVEGCSA-N 2 2 282.363 0.903 20 0 CCADLP CC(C)OCC[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001372679491 929915287 /nfs/dbraw/zinc/91/52/87/929915287.db2.gz ISQSYQQYYCMFAM-AWEZNQCLSA-N 2 2 294.399 0.746 20 0 CCADLP CC(C)OCC[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001372679491 929915290 /nfs/dbraw/zinc/91/52/90/929915290.db2.gz ISQSYQQYYCMFAM-AWEZNQCLSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@H](C[NH2+]C[C@@H]1CCCCO1)NC(=O)Cn1cc[nH+]c1 ZINC001445501354 930150050 /nfs/dbraw/zinc/15/00/50/930150050.db2.gz QUZOVPWUGOWSLZ-OLZOCXBDSA-N 2 2 280.372 0.547 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C)o1 ZINC001445654069 930197137 /nfs/dbraw/zinc/19/71/37/930197137.db2.gz HTAVMQHILWHHSL-QWRGUYRKSA-N 2 2 297.403 0.874 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)C(C)C)o1 ZINC001445654069 930197142 /nfs/dbraw/zinc/19/71/42/930197142.db2.gz HTAVMQHILWHHSL-QWRGUYRKSA-N 2 2 297.403 0.874 20 0 CCADLP C[C@H](C[N@@H+](C)C[C@H](C)O)NC(=O)CCc1[nH+]ccn1C ZINC001445763340 930240091 /nfs/dbraw/zinc/24/00/91/930240091.db2.gz IQXFIIUZCIEJEP-NEPJUHHUSA-N 2 2 282.388 0.170 20 0 CCADLP C[C@H](C[N@H+](C)C[C@H](C)O)NC(=O)CCc1[nH+]ccn1C ZINC001445763340 930240100 /nfs/dbraw/zinc/24/01/00/930240100.db2.gz IQXFIIUZCIEJEP-NEPJUHHUSA-N 2 2 282.388 0.170 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCn1cc[nH+]c1 ZINC001373578243 930251060 /nfs/dbraw/zinc/25/10/60/930251060.db2.gz AIFIVAHWLGOSQG-IHRRRGAJSA-N 2 2 292.383 0.329 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCn1cc[nH+]c1 ZINC001373578243 930251064 /nfs/dbraw/zinc/25/10/64/930251064.db2.gz AIFIVAHWLGOSQG-IHRRRGAJSA-N 2 2 292.383 0.329 20 0 CCADLP C[C@@H](C[N@H+](C)CC[C@@H]1CCOC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001445821531 930258741 /nfs/dbraw/zinc/25/87/41/930258741.db2.gz QYCSYILEMYHGGR-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H](C[N@@H+](C)CC[C@@H]1CCOC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001445821531 930258747 /nfs/dbraw/zinc/25/87/47/930258747.db2.gz QYCSYILEMYHGGR-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001445988342 930300080 /nfs/dbraw/zinc/30/00/80/930300080.db2.gz WVVNCUYELHKSDV-MFKMUULPSA-N 2 2 280.372 0.472 20 0 CCADLP Cc1nc(C[NH2+]C2(CNC(=O)[C@@H]3CCC[N@H+]3C)CC2)co1 ZINC001446158537 930357693 /nfs/dbraw/zinc/35/76/93/930357693.db2.gz LWDQCNWOGXTJTF-ZDUSSCGKSA-N 2 2 292.383 0.816 20 0 CCADLP Cc1nc(C[NH2+]C2(CNC(=O)[C@@H]3CCC[N@@H+]3C)CC2)co1 ZINC001446158537 930357699 /nfs/dbraw/zinc/35/76/99/930357699.db2.gz LWDQCNWOGXTJTF-ZDUSSCGKSA-N 2 2 292.383 0.816 20 0 CCADLP Cc1ncoc1C[NH2+][C@@H](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001447671980 930681787 /nfs/dbraw/zinc/68/17/87/930681787.db2.gz QFYMUOFQQYLABU-JTQLQIEISA-N 2 2 291.355 0.933 20 0 CCADLP CCc1nnc(C[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C)o1 ZINC001448725696 930958511 /nfs/dbraw/zinc/95/85/11/930958511.db2.gz WUJUOFAPEDZFDC-LLVKDONJSA-N 2 2 297.403 0.520 20 0 CCADLP CCc1noc(C[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C)n1 ZINC001448722686 930959969 /nfs/dbraw/zinc/95/99/69/930959969.db2.gz TTWYRZLFMDUYNP-LLVKDONJSA-N 2 2 297.403 0.520 20 0 CCADLP CC1(C)CC(C[NH2+][C@@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001448910003 931025314 /nfs/dbraw/zinc/02/53/14/931025314.db2.gz WVMIZOYAMUPANP-CYBMUJFWSA-N 2 2 294.399 0.455 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC001449092193 931067606 /nfs/dbraw/zinc/06/76/06/931067606.db2.gz VWVBHHSLHWNGAN-FDYHWXHSSA-N 2 2 290.367 0.181 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001449092193 931067611 /nfs/dbraw/zinc/06/76/11/931067611.db2.gz VWVBHHSLHWNGAN-FDYHWXHSSA-N 2 2 290.367 0.181 20 0 CCADLP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CC(=O)NC(C)C)C1)[NH+](C)C ZINC001376150777 931072466 /nfs/dbraw/zinc/07/24/66/931072466.db2.gz SPUHIWTVLGNHPF-OLZOCXBDSA-N 2 2 298.431 0.042 20 0 CCADLP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(C)C)C1)[NH+](C)C ZINC001376150777 931072472 /nfs/dbraw/zinc/07/24/72/931072472.db2.gz SPUHIWTVLGNHPF-OLZOCXBDSA-N 2 2 298.431 0.042 20 0 CCADLP C[C@@H](F)CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001376490456 931165910 /nfs/dbraw/zinc/16/59/10/931165910.db2.gz OZIPARILTDGMFV-UTUOFQBUSA-N 2 2 282.363 0.948 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001376615158 931192054 /nfs/dbraw/zinc/19/20/54/931192054.db2.gz WUNJYDINFCYYRU-TZMCWYRMSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001376615158 931192058 /nfs/dbraw/zinc/19/20/58/931192058.db2.gz WUNJYDINFCYYRU-TZMCWYRMSA-N 2 2 294.399 0.694 20 0 CCADLP CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ncc(C)o1)[NH+](C)C ZINC001376812482 931287494 /nfs/dbraw/zinc/28/74/94/931287494.db2.gz PLXKNHDSHAEYMN-JQWIXIFHSA-N 2 2 282.388 0.918 20 0 CCADLP Cc1nonc1C[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001376862948 931307345 /nfs/dbraw/zinc/30/73/45/931307345.db2.gz HDNSGGZMBKRJSV-SECBINFHSA-N 2 2 292.343 0.177 20 0 CCADLP CCC[NH+]1CCC([NH2+]C2CC[NH+](CC(=O)[O-])CC2)CC1 ZINC001589674987 949987098 /nfs/dbraw/zinc/98/70/98/949987098.db2.gz LTACHJOEUAREQR-UHFFFAOYSA-N 2 2 283.416 0.999 20 0 CCADLP Cc1[nH+]ccn1CCCN1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000337409261 214063720 /nfs/dbraw/zinc/06/37/20/214063720.db2.gz KPUNDYGCLOEWQI-UONOGXRCSA-N 2 2 280.416 0.969 20 0 CCADLP Cc1[nH+]ccn1CCCN1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000337409261 214063724 /nfs/dbraw/zinc/06/37/24/214063724.db2.gz KPUNDYGCLOEWQI-UONOGXRCSA-N 2 2 280.416 0.969 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CCN(C[C@@H](C)O)C[C@@H]1C ZINC000337409261 214063726 /nfs/dbraw/zinc/06/37/26/214063726.db2.gz KPUNDYGCLOEWQI-UONOGXRCSA-N 2 2 280.416 0.969 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCN(C[C@@H](C)O)C[C@@H]1C ZINC000337409261 214063730 /nfs/dbraw/zinc/06/37/30/214063730.db2.gz KPUNDYGCLOEWQI-UONOGXRCSA-N 2 2 280.416 0.969 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000362749470 300221962 /nfs/dbraw/zinc/22/19/62/300221962.db2.gz YRCRNAKINNLFFC-STQMWFEESA-N 2 2 283.416 0.411 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000362749470 300221963 /nfs/dbraw/zinc/22/19/63/300221963.db2.gz YRCRNAKINNLFFC-STQMWFEESA-N 2 2 283.416 0.411 20 0 CCADLP C[C@H]1C[NH+](C)C[C@@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000362749470 300221964 /nfs/dbraw/zinc/22/19/64/300221964.db2.gz YRCRNAKINNLFFC-STQMWFEESA-N 2 2 283.416 0.411 20 0 CCADLP C[C@H]1C[NH+](C)C[C@@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000362749470 300221965 /nfs/dbraw/zinc/22/19/65/300221965.db2.gz YRCRNAKINNLFFC-STQMWFEESA-N 2 2 283.416 0.411 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000092954612 349514603 /nfs/dbraw/zinc/51/46/03/349514603.db2.gz IUJBECBVGOWFMO-DZGCQCFKSA-N 2 2 288.395 0.724 20 0 CCADLP CCOCC[N@H+](CC)CC(=O)N1CC[NH+](C)CC1 ZINC000093172904 349529660 /nfs/dbraw/zinc/52/96/60/349529660.db2.gz ZLTGOZLDGNZLKA-UHFFFAOYSA-N 2 2 257.378 0.119 20 0 CCADLP CCOCC[N@@H+](CC)CC(=O)N1CC[NH+](C)CC1 ZINC000093172904 349529662 /nfs/dbraw/zinc/52/96/62/349529662.db2.gz ZLTGOZLDGNZLKA-UHFFFAOYSA-N 2 2 257.378 0.119 20 0 CCADLP C[NH+]1CCC(C(=O)N2CC[NH2+][C@H](c3cccnc3)C2)CC1 ZINC000337574967 214164426 /nfs/dbraw/zinc/16/44/26/214164426.db2.gz FOSHNOLKQHEBRS-HNNXBMFYSA-N 2 2 288.395 0.896 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000337604047 214176573 /nfs/dbraw/zinc/17/65/73/214176573.db2.gz UJJRZZHDFKCAHC-UONOGXRCSA-N 2 2 274.368 0.649 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000337604047 214176575 /nfs/dbraw/zinc/17/65/75/214176575.db2.gz UJJRZZHDFKCAHC-UONOGXRCSA-N 2 2 274.368 0.649 20 0 CCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CCc1nnc[nH]1 ZINC000617505496 365659530 /nfs/dbraw/zinc/65/95/30/365659530.db2.gz FHZAORKEPRAXIH-LBPRGKRZSA-N 2 2 296.419 0.126 20 0 CCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CCc1nnc[nH]1 ZINC000617505496 365659536 /nfs/dbraw/zinc/65/95/36/365659536.db2.gz FHZAORKEPRAXIH-LBPRGKRZSA-N 2 2 296.419 0.126 20 0 CCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CCc1nc[nH]n1 ZINC000617505496 365659541 /nfs/dbraw/zinc/65/95/41/365659541.db2.gz FHZAORKEPRAXIH-LBPRGKRZSA-N 2 2 296.419 0.126 20 0 CCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CCc1nc[nH]n1 ZINC000617505496 365659549 /nfs/dbraw/zinc/65/95/49/365659549.db2.gz FHZAORKEPRAXIH-LBPRGKRZSA-N 2 2 296.419 0.126 20 0 CCADLP Cc1cc2ncc([C@H](C)[NH2+]C[C@H](O)C[NH+](C)C)c(C)n2n1 ZINC000093406045 349541917 /nfs/dbraw/zinc/54/19/17/349541917.db2.gz QMPXSSFINONANZ-AAEUAGOBSA-N 2 2 291.399 0.919 20 0 CCADLP CCC(CC)([NH2+]CCC(=O)N1CC[NH+](C)CC1)C(=O)OC ZINC000338300235 282141173 /nfs/dbraw/zinc/14/11/73/282141173.db2.gz YZFAPNYSIBBQQX-UHFFFAOYSA-N 2 2 299.415 0.472 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000337990212 214348294 /nfs/dbraw/zinc/34/82/94/214348294.db2.gz HDFNMLMTTVRJDZ-AWEZNQCLSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@H](C(=O)NCCC[NH+]1CCCCC1)[NH+]1CCN(C)CC1 ZINC000338018591 214363504 /nfs/dbraw/zinc/36/35/04/214363504.db2.gz SFVOQESBHRJREI-OAHLLOKOSA-N 2 2 296.459 0.615 20 0 CCADLP CCC[N@@H+]1CC[C@@H](CNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000097175459 349631202 /nfs/dbraw/zinc/63/12/02/349631202.db2.gz NNXKURAMTPCKCV-AWEZNQCLSA-N 2 2 298.431 0.350 20 0 CCADLP CCC[N@H+]1CC[C@@H](CNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000097175459 349631204 /nfs/dbraw/zinc/63/12/04/349631204.db2.gz NNXKURAMTPCKCV-AWEZNQCLSA-N 2 2 298.431 0.350 20 0 CCADLP CC[C@@H](C)[C@H](NC(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)OC ZINC000424291410 529418819 /nfs/dbraw/zinc/41/88/19/529418819.db2.gz NUSHEHRAJQOVHF-BYNQJWBRSA-N 2 2 299.415 0.550 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000423762687 529464230 /nfs/dbraw/zinc/46/42/30/529464230.db2.gz SYYJVKXTAJCSRZ-MJBXVCDLSA-N 2 2 281.400 0.354 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000423762687 529464232 /nfs/dbraw/zinc/46/42/32/529464232.db2.gz SYYJVKXTAJCSRZ-MJBXVCDLSA-N 2 2 281.400 0.354 20 0 CCADLP CC[C@@H](C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1)OC ZINC000412978636 529474031 /nfs/dbraw/zinc/47/40/31/529474031.db2.gz QOFAMUKCUSSXLF-LBPRGKRZSA-N 2 2 252.362 0.952 20 0 CCADLP CC[N@H+](CCNC(=O)NCC[NH+]1CCOCC1)C(C)C ZINC000102544508 349680663 /nfs/dbraw/zinc/68/06/63/349680663.db2.gz ZVVRVUPYZCKXRL-UHFFFAOYSA-N 2 2 286.420 0.348 20 0 CCADLP CC[N@@H+](CCNC(=O)NCC[NH+]1CCOCC1)C(C)C ZINC000102544508 349680666 /nfs/dbraw/zinc/68/06/66/349680666.db2.gz ZVVRVUPYZCKXRL-UHFFFAOYSA-N 2 2 286.420 0.348 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418263765 529575102 /nfs/dbraw/zinc/57/51/02/529575102.db2.gz JRTGZBWRXOJAHK-MNOVXSKESA-N 2 2 265.361 0.700 20 0 CCADLP C[C@H](NC(=O)CCCn1cc[nH+]c1)[C@H](C)[NH+]1CCOCC1 ZINC000104598791 349717908 /nfs/dbraw/zinc/71/79/08/349717908.db2.gz JUCBCSPKODKBFK-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCc2ccccc21 ZINC000107573629 349738037 /nfs/dbraw/zinc/73/80/37/349738037.db2.gz VIRXWIGGOQXYTR-KBPBESRZSA-N 2 2 271.364 0.727 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000108553281 349749369 /nfs/dbraw/zinc/74/93/69/349749369.db2.gz IECJWVZPXSQNLL-UONOGXRCSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000108553281 349749373 /nfs/dbraw/zinc/74/93/73/349749373.db2.gz IECJWVZPXSQNLL-UONOGXRCSA-N 2 2 298.431 0.348 20 0 CCADLP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)C1(C(=O)OC)CCC1 ZINC000423580223 529615770 /nfs/dbraw/zinc/61/57/70/529615770.db2.gz XKUBCTFUIMXWRD-RYUDHWBXSA-N 2 2 270.373 0.686 20 0 CCADLP Nc1nc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)nc2ccccc12 ZINC000112734021 349790011 /nfs/dbraw/zinc/79/00/11/349790011.db2.gz SZVKNDNTKIKDTP-GHMZBOCLSA-N 2 2 269.352 0.863 20 0 CCADLP COC(=O)c1cnc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cn1 ZINC000600707348 362039361 /nfs/dbraw/zinc/03/93/61/362039361.db2.gz AYOQIMMSDBNSJH-GHMZBOCLSA-N 2 2 278.356 0.680 20 0 CCADLP COC(=O)c1cnc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cn1 ZINC000600707348 362039364 /nfs/dbraw/zinc/03/93/64/362039364.db2.gz AYOQIMMSDBNSJH-GHMZBOCLSA-N 2 2 278.356 0.680 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[NH+]2C[C@H](C)OC[C@@H]2C)CC[N@@H+]1C ZINC000617720402 365725960 /nfs/dbraw/zinc/72/59/60/365725960.db2.gz BZYMZRHJPODVIV-IGQOVBAYSA-N 2 2 283.416 0.552 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[NH+]2C[C@H](C)OC[C@@H]2C)CC[N@H+]1C ZINC000617720402 365725969 /nfs/dbraw/zinc/72/59/69/365725969.db2.gz BZYMZRHJPODVIV-IGQOVBAYSA-N 2 2 283.416 0.552 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)CC[NH+]1C ZINC000617720402 365725978 /nfs/dbraw/zinc/72/59/78/365725978.db2.gz BZYMZRHJPODVIV-IGQOVBAYSA-N 2 2 283.416 0.552 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)CC[NH+]1C ZINC000617720402 365725985 /nfs/dbraw/zinc/72/59/85/365725985.db2.gz BZYMZRHJPODVIV-IGQOVBAYSA-N 2 2 283.416 0.552 20 0 CCADLP CC[C@H](C)[NH+]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC000456538857 529700100 /nfs/dbraw/zinc/70/01/00/529700100.db2.gz XOSIOWSCHYGXRJ-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@H](C)[NH+]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC000456538857 529700102 /nfs/dbraw/zinc/70/01/02/529700102.db2.gz XOSIOWSCHYGXRJ-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CCC(CC)[C@H](C(=O)N1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000351490369 282249906 /nfs/dbraw/zinc/24/99/06/282249906.db2.gz LBLSNFBKHZTKDE-OAHLLOKOSA-N 2 2 297.443 0.897 20 0 CCADLP C[C@H](C(=O)NCC[C@H](C)[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000617752713 365756178 /nfs/dbraw/zinc/75/61/78/365756178.db2.gz SUOJNIRTXDYEBX-QWHCGFSZSA-N 2 2 270.421 0.079 20 0 CCADLP CC(C)n1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000617764121 365766914 /nfs/dbraw/zinc/76/69/14/365766914.db2.gz JYCFLUVNCYLOGA-UHFFFAOYSA-N 2 2 296.419 0.472 20 0 CCADLP CC(C)n1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000617764121 365766917 /nfs/dbraw/zinc/76/69/17/365766917.db2.gz JYCFLUVNCYLOGA-UHFFFAOYSA-N 2 2 296.419 0.472 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[NH+](C)CCC[NH+](C)C)CC[N@@H+]1C ZINC000617764367 365768621 /nfs/dbraw/zinc/76/86/21/365768621.db2.gz TTYTUESYSXSRMJ-GJZGRUSLSA-N 3 2 298.475 0.716 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[NH+](C)CCC[NH+](C)C)CC[N@H+]1C ZINC000617764367 365768625 /nfs/dbraw/zinc/76/86/25/365768625.db2.gz TTYTUESYSXSRMJ-GJZGRUSLSA-N 3 2 298.475 0.716 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)CC[NH+]1C ZINC000617764367 365768631 /nfs/dbraw/zinc/76/86/31/365768631.db2.gz TTYTUESYSXSRMJ-GJZGRUSLSA-N 3 2 298.475 0.716 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC[NH+]1C ZINC000617764367 365768634 /nfs/dbraw/zinc/76/86/34/365768634.db2.gz TTYTUESYSXSRMJ-GJZGRUSLSA-N 3 2 298.475 0.716 20 0 CCADLP CC[C@H](OC)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767397 365772804 /nfs/dbraw/zinc/77/28/04/365772804.db2.gz SORLLPSQENLQGI-LBPRGKRZSA-N 2 2 259.394 0.411 20 0 CCADLP CC[C@H](OC)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767397 365772807 /nfs/dbraw/zinc/77/28/07/365772807.db2.gz SORLLPSQENLQGI-LBPRGKRZSA-N 2 2 259.394 0.411 20 0 CCADLP CCc1ncncc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767192 365773807 /nfs/dbraw/zinc/77/38/07/365773807.db2.gz JYYVHCGGGOYLHD-UHFFFAOYSA-N 2 2 293.415 0.652 20 0 CCADLP CCc1ncncc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767192 365773812 /nfs/dbraw/zinc/77/38/12/365773812.db2.gz JYYVHCGGGOYLHD-UHFFFAOYSA-N 2 2 293.415 0.652 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000573486110 334941345 /nfs/dbraw/zinc/94/13/45/334941345.db2.gz XMMOQFXOJVKRHB-LBPRGKRZSA-N 2 2 251.330 0.678 20 0 CCADLP CC[C@H]1CC[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)O1 ZINC000617765593 365771182 /nfs/dbraw/zinc/77/11/82/365771182.db2.gz IHKFJGRZUYZXDZ-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP CC[C@H]1CC[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)O1 ZINC000617765593 365771186 /nfs/dbraw/zinc/77/11/86/365771186.db2.gz IHKFJGRZUYZXDZ-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP CCC[C@](C)(O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765519 365771392 /nfs/dbraw/zinc/77/13/92/365771392.db2.gz DUEVVCLYGGYCSK-AWEZNQCLSA-N 2 2 273.421 0.537 20 0 CCADLP CCC[C@](C)(O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765519 365771396 /nfs/dbraw/zinc/77/13/96/365771396.db2.gz DUEVVCLYGGYCSK-AWEZNQCLSA-N 2 2 273.421 0.537 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114199425 349823990 /nfs/dbraw/zinc/82/39/90/349823990.db2.gz QBLGAEHCWTZGNU-CHWSQXEVSA-N 2 2 298.431 0.740 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114199425 349823993 /nfs/dbraw/zinc/82/39/93/349823993.db2.gz QBLGAEHCWTZGNU-CHWSQXEVSA-N 2 2 298.431 0.740 20 0 CCADLP CN(C)c1[nH+]cc(C[NH+]2CC(C(C)(C)O)C2)n1C ZINC000425367091 529806882 /nfs/dbraw/zinc/80/68/82/529806882.db2.gz HBFFHJBJOMXFRP-UHFFFAOYSA-N 2 2 252.362 0.689 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)n1C ZINC000425382459 529807879 /nfs/dbraw/zinc/80/78/79/529807879.db2.gz NZAGFANMFRWZNT-CYBMUJFWSA-N 2 2 265.361 0.183 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2CC[C@@](C)(C(N)=O)C2)n1C ZINC000425382459 529807880 /nfs/dbraw/zinc/80/78/80/529807880.db2.gz NZAGFANMFRWZNT-CYBMUJFWSA-N 2 2 265.361 0.183 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCCc2cnn(C)c2)n1C ZINC000425343060 529809244 /nfs/dbraw/zinc/80/92/44/529809244.db2.gz HZNMUBCPOQRBMU-UHFFFAOYSA-N 2 2 276.388 0.942 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000358250179 529810195 /nfs/dbraw/zinc/81/01/95/529810195.db2.gz LBRFORVYALAAAF-IHRRRGAJSA-N 3 2 253.390 0.269 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000358250179 529810196 /nfs/dbraw/zinc/81/01/96/529810196.db2.gz LBRFORVYALAAAF-IHRRRGAJSA-N 3 2 253.390 0.269 20 0 CCADLP C[NH+]1CC[C@](O)(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000358250179 529810197 /nfs/dbraw/zinc/81/01/97/529810197.db2.gz LBRFORVYALAAAF-IHRRRGAJSA-N 3 2 253.390 0.269 20 0 CCADLP C[NH+]1CC[C@](O)(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000358250179 529810199 /nfs/dbraw/zinc/81/01/99/529810199.db2.gz LBRFORVYALAAAF-IHRRRGAJSA-N 3 2 253.390 0.269 20 0 CCADLP C[N@@H+](CC(=O)N(C1CC1)C1CCCC1)C[C@H](O)C[NH3+] ZINC000420355057 529825856 /nfs/dbraw/zinc/82/58/56/529825856.db2.gz PMTSBALBXALNES-CYBMUJFWSA-N 2 2 269.389 0.171 20 0 CCADLP C[N@H+](CC(=O)N(C1CC1)C1CCCC1)C[C@H](O)C[NH3+] ZINC000420355057 529825858 /nfs/dbraw/zinc/82/58/58/529825858.db2.gz PMTSBALBXALNES-CYBMUJFWSA-N 2 2 269.389 0.171 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000115576545 349858345 /nfs/dbraw/zinc/85/83/45/349858345.db2.gz BUDOQGAPMGAQGU-CQSZACIVSA-N 2 2 295.427 0.840 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000115576545 349858350 /nfs/dbraw/zinc/85/83/50/349858350.db2.gz BUDOQGAPMGAQGU-CQSZACIVSA-N 2 2 295.427 0.840 20 0 CCADLP COC(=O)CCC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000116401860 349869421 /nfs/dbraw/zinc/86/94/21/349869421.db2.gz HSWNJQIJOCINBW-CQSZACIVSA-N 2 2 284.400 0.984 20 0 CCADLP COC(=O)CCC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000116401860 349869423 /nfs/dbraw/zinc/86/94/23/349869423.db2.gz HSWNJQIJOCINBW-CQSZACIVSA-N 2 2 284.400 0.984 20 0 CCADLP C[N@@H+]1CCN(C(=O)/C=C/c2cscn2)[C@H](C[NH3+])C1 ZINC000493791904 530065943 /nfs/dbraw/zinc/06/59/43/530065943.db2.gz ZUUAXQFHTYZZPE-KXMPLOMGSA-N 2 2 266.370 0.258 20 0 CCADLP C[N@H+]1CCN(C(=O)/C=C/c2cscn2)[C@H](C[NH3+])C1 ZINC000493791904 530065944 /nfs/dbraw/zinc/06/59/44/530065944.db2.gz ZUUAXQFHTYZZPE-KXMPLOMGSA-N 2 2 266.370 0.258 20 0 CCADLP COc1ccsc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358135881 232047257 /nfs/dbraw/zinc/04/72/57/232047257.db2.gz KSTXQVVERZLAAX-GFCCVEGCSA-N 2 2 256.371 0.913 20 0 CCADLP COc1ccsc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358135881 232047262 /nfs/dbraw/zinc/04/72/62/232047262.db2.gz KSTXQVVERZLAAX-GFCCVEGCSA-N 2 2 256.371 0.913 20 0 CCADLP Cc1cc(NC[C@]2(O)CC[N@@H+](C)C2)nc(-c2ccncc2)[nH+]1 ZINC000358348845 232086409 /nfs/dbraw/zinc/08/64/09/232086409.db2.gz JUPWFAZJQUXPMQ-MRXNPFEDSA-N 2 2 299.378 0.747 20 0 CCADLP Cc1cc(NC[C@]2(O)CC[N@H+](C)C2)nc(-c2ccncc2)[nH+]1 ZINC000358348845 232086410 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C[C@@H](CC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)n1cc[nH+]c1 ZINC000655293388 412528125 /nfs/dbraw/zinc/52/81/25/412528125.db2.gz MHFWYOOSDGSHSZ-RWMBFGLXSA-N 2 2 278.356 0.112 20 0 CCADLP C[C@@H]1C[N@@H+](CCCNC(=O)Cn2cc[nH+]c2)C[C@H](C)O1 ZINC000120139241 349970130 /nfs/dbraw/zinc/97/01/30/349970130.db2.gz HFXJUQDJJUCZRY-BETUJISGSA-N 2 2 280.372 0.499 20 0 CCADLP C[C@@H]1C[N@H+](CCCNC(=O)Cn2cc[nH+]c2)C[C@H](C)O1 ZINC000120139241 349970136 /nfs/dbraw/zinc/97/01/36/349970136.db2.gz HFXJUQDJJUCZRY-BETUJISGSA-N 2 2 280.372 0.499 20 0 CCADLP CC[C@H](C(=O)NCCC[NH+](C)C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339228311 215028044 /nfs/dbraw/zinc/02/80/44/215028044.db2.gz MPCYJGVNSWHFFW-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP CC[C@H](C(=O)NCCC[NH+](C)C)[N@H+]1CCO[C@@H](CC)C1 ZINC000339228311 215028045 /nfs/dbraw/zinc/02/80/45/215028045.db2.gz MPCYJGVNSWHFFW-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP CC[C@H](C(=O)N1CC[NH+](C)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339238364 215031486 /nfs/dbraw/zinc/03/14/86/215031486.db2.gz MMIFWUQMZNHUMN-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@H](C(=O)N1CC[NH+](C)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000339238364 215031489 /nfs/dbraw/zinc/03/14/89/215031489.db2.gz MMIFWUQMZNHUMN-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2C[C@@H](CO)C2)CC1 ZINC000602725334 362774045 /nfs/dbraw/zinc/77/40/45/362774045.db2.gz PHORDAVOSNPIFS-XBXGTLAGSA-N 2 2 284.400 0.765 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1)C(C)C ZINC000250697819 137001364 /nfs/dbraw/zinc/00/13/64/137001364.db2.gz RAQLNMOMGHNETH-CORIIIEPSA-N 2 2 283.416 0.775 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1)C(C)C ZINC000250697819 137001365 /nfs/dbraw/zinc/00/13/65/137001365.db2.gz RAQLNMOMGHNETH-CORIIIEPSA-N 2 2 283.416 0.775 20 0 CCADLP C[C@@H]1C[C@H](NC[C@H]2C[NH+](C)CCN2C)CC[N@@H+]1C ZINC000251716628 137002265 /nfs/dbraw/zinc/00/22/65/137002265.db2.gz BWFPOMUPHTVYHP-MCIONIFRSA-N 2 2 254.422 0.305 20 0 CCADLP C[C@@H]1C[C@H](NC[C@H]2C[NH+](C)CCN2C)CC[N@H+]1C ZINC000251716628 137002266 /nfs/dbraw/zinc/00/22/66/137002266.db2.gz BWFPOMUPHTVYHP-MCIONIFRSA-N 2 2 254.422 0.305 20 0 CCADLP C[C@@H]1C[C@H](NC[C@H]2C[N@H+](C)CCN2C)CC[NH+]1C ZINC000251716628 137002267 /nfs/dbraw/zinc/00/22/67/137002267.db2.gz BWFPOMUPHTVYHP-MCIONIFRSA-N 2 2 254.422 0.305 20 0 CCADLP C[C@@H]1C[C@H](NC[C@H]2C[N@@H+](C)CCN2C)CC[NH+]1C ZINC000251716628 137002268 /nfs/dbraw/zinc/00/22/68/137002268.db2.gz BWFPOMUPHTVYHP-MCIONIFRSA-N 2 2 254.422 0.305 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(C)CCN2C)CC[N@@H+]1C ZINC000251716628 137002269 /nfs/dbraw/zinc/00/22/69/137002269.db2.gz BWFPOMUPHTVYHP-MCIONIFRSA-N 2 2 254.422 0.305 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(C)CCN2C)CC[N@H+]1C ZINC000251716628 137002270 /nfs/dbraw/zinc/00/22/70/137002270.db2.gz BWFPOMUPHTVYHP-MCIONIFRSA-N 2 2 254.422 0.305 20 0 CCADLP Cc1n[nH]cc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252667477 137003306 /nfs/dbraw/zinc/00/33/06/137003306.db2.gz KFDZTXCHWTYTCV-QWHCGFSZSA-N 2 2 250.346 0.671 20 0 CCADLP Cc1n[nH]cc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252667477 137003307 /nfs/dbraw/zinc/00/33/07/137003307.db2.gz KFDZTXCHWTYTCV-QWHCGFSZSA-N 2 2 250.346 0.671 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCOC[C@H]1CCCO1 ZINC000252967151 137004213 /nfs/dbraw/zinc/00/42/13/137004213.db2.gz TYULSPJRSBNQTM-QLFBSQMISA-N 2 2 286.416 0.929 20 0 CCADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000261574875 137009587 /nfs/dbraw/zinc/00/95/87/137009587.db2.gz BGZLARULBPDPAA-ZDUSSCGKSA-N 2 2 278.381 0.927 20 0 CCADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000261574875 137009588 /nfs/dbraw/zinc/00/95/88/137009588.db2.gz BGZLARULBPDPAA-ZDUSSCGKSA-N 2 2 278.381 0.927 20 0 CCADLP C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)C1 ZINC000261593527 137011162 /nfs/dbraw/zinc/01/11/62/137011162.db2.gz ZGGQGMVYTZFKPL-GXTWGEPZSA-N 2 2 253.390 0.916 20 0 CCADLP C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@](C)(C[NH3+])C2)C1 ZINC000261593527 137011163 /nfs/dbraw/zinc/01/11/63/137011163.db2.gz ZGGQGMVYTZFKPL-GXTWGEPZSA-N 2 2 253.390 0.916 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@](C)(C[NH3+])C2)C1 ZINC000261593529 137011265 /nfs/dbraw/zinc/01/12/65/137011265.db2.gz ZGGQGMVYTZFKPL-OCCSQVGLSA-N 2 2 253.390 0.916 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@](C)(C[NH3+])C2)C1 ZINC000261593529 137011266 /nfs/dbraw/zinc/01/12/66/137011266.db2.gz ZGGQGMVYTZFKPL-OCCSQVGLSA-N 2 2 253.390 0.916 20 0 CCADLP COC[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000262356141 137039592 /nfs/dbraw/zinc/03/95/92/137039592.db2.gz UZRKQXFPSTWNPN-LBPRGKRZSA-N 2 2 298.412 0.151 20 0 CCADLP COC[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000262356141 137039593 /nfs/dbraw/zinc/03/95/93/137039593.db2.gz UZRKQXFPSTWNPN-LBPRGKRZSA-N 2 2 298.412 0.151 20 0 CCADLP C[NH+]1CCC(CCNC(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263129581 137058880 /nfs/dbraw/zinc/05/88/80/137058880.db2.gz BOVWUSPPZGQDBG-LLVKDONJSA-N 2 2 275.343 0.832 20 0 CCADLP Cc1noc(CN2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)n1 ZINC000261703718 137016383 /nfs/dbraw/zinc/01/63/83/137016383.db2.gz CVCAVXRHOOUWON-AWEZNQCLSA-N 2 2 279.388 0.495 20 0 CCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261904951 137025363 /nfs/dbraw/zinc/02/53/63/137025363.db2.gz WVDYICXDBKUJAQ-CZUORRHYSA-N 2 2 294.443 0.271 20 0 CCADLP C[C@@]1(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CC[NH2+]C1 ZINC000261922322 137025861 /nfs/dbraw/zinc/02/58/61/137025861.db2.gz BTKZHKCTTRZEEO-HUUCEWRRSA-N 3 2 267.417 0.640 20 0 CCADLP CCN(CC)c1ccc(CNC(=O)[C@H]([NH3+])COC)c[nH+]1 ZINC000262241344 137032262 /nfs/dbraw/zinc/03/22/62/137032262.db2.gz HTKKAQLXQRAUCI-GFCCVEGCSA-N 2 2 280.372 0.518 20 0 CCADLP CC[C@H]1CN(Cc2noc(C[NH3+])n2)CC[N@@H+]1CCOC ZINC000262263906 137033562 /nfs/dbraw/zinc/03/35/62/137033562.db2.gz RQVBCYPXMPSKEW-NSHDSACASA-N 2 2 283.376 0.071 20 0 CCADLP CC[C@H]1CN(Cc2noc(C[NH3+])n2)CC[N@H+]1CCOC ZINC000262263906 137033563 /nfs/dbraw/zinc/03/35/63/137033563.db2.gz RQVBCYPXMPSKEW-NSHDSACASA-N 2 2 283.376 0.071 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[NH+]1CCN(C)CC1 ZINC000262306409 137036389 /nfs/dbraw/zinc/03/63/89/137036389.db2.gz RNHYDAPLDCKYEQ-MGPQQGTHSA-N 2 2 282.432 0.256 20 0 CCADLP [NH3+]CC[N@H+](CCO)CCOc1ccc(Cl)cc1 ZINC000342386061 137090833 /nfs/dbraw/zinc/09/08/33/137090833.db2.gz LCTIBKSOTIXMLL-UHFFFAOYSA-N 2 2 258.749 0.972 20 0 CCADLP [NH3+]CC[N@@H+](CCO)CCOc1ccc(Cl)cc1 ZINC000342386061 137090834 /nfs/dbraw/zinc/09/08/34/137090834.db2.gz LCTIBKSOTIXMLL-UHFFFAOYSA-N 2 2 258.749 0.972 20 0 CCADLP [NH3+]CC[N@H+](CCC(=O)N1CCOCC1)Cc1ccccc1 ZINC000342399876 137091168 /nfs/dbraw/zinc/09/11/68/137091168.db2.gz IZAXHIZTRDZFPN-UHFFFAOYSA-N 2 2 291.395 0.696 20 0 CCADLP [NH3+]CC[N@@H+](CCC(=O)N1CCOCC1)Cc1ccccc1 ZINC000342399876 137091169 /nfs/dbraw/zinc/09/11/69/137091169.db2.gz IZAXHIZTRDZFPN-UHFFFAOYSA-N 2 2 291.395 0.696 20 0 CCADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2COCC[NH+]2CC)C1 ZINC000342410655 137092034 /nfs/dbraw/zinc/09/20/34/137092034.db2.gz HBRWNSYXQFCLQE-HUUCEWRRSA-N 2 2 297.443 0.897 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2COCC[NH+]2CC)C1 ZINC000342410655 137092035 /nfs/dbraw/zinc/09/20/35/137092035.db2.gz HBRWNSYXQFCLQE-HUUCEWRRSA-N 2 2 297.443 0.897 20 0 CCADLP CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CC)C1 ZINC000342410655 137092036 /nfs/dbraw/zinc/09/20/36/137092036.db2.gz HBRWNSYXQFCLQE-HUUCEWRRSA-N 2 2 297.443 0.897 20 0 CCADLP CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CC)C1 ZINC000342410655 137092037 /nfs/dbraw/zinc/09/20/37/137092037.db2.gz HBRWNSYXQFCLQE-HUUCEWRRSA-N 2 2 297.443 0.897 20 0 CCADLP Cn1ccnc1CN1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000342468508 137096020 /nfs/dbraw/zinc/09/60/20/137096020.db2.gz BJVBYPVIWFMZQI-UHFFFAOYSA-N 2 2 288.399 0.825 20 0 CCADLP CC[C@@H](O)C[NH+]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000342478173 137096391 /nfs/dbraw/zinc/09/63/91/137096391.db2.gz IUIAPDLKUBWGEZ-OAGGEKHMSA-N 2 2 297.443 0.238 20 0 CCADLP CC[C@@H](O)C[NH+]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000342478173 137096392 /nfs/dbraw/zinc/09/63/92/137096392.db2.gz IUIAPDLKUBWGEZ-OAGGEKHMSA-N 2 2 297.443 0.238 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCO[C@H]3CCC[C@@H]32)CC1 ZINC000343066869 137113124 /nfs/dbraw/zinc/11/31/24/137113124.db2.gz WYUAIJKHNISMOF-GJZGRUSLSA-N 2 2 295.427 0.840 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCO[C@H]3CCC[C@@H]32)CC1 ZINC000343066869 137113125 /nfs/dbraw/zinc/11/31/25/137113125.db2.gz WYUAIJKHNISMOF-GJZGRUSLSA-N 2 2 295.427 0.840 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000343082756 137113971 /nfs/dbraw/zinc/11/39/71/137113971.db2.gz YQQDJGBRCJNGED-NSHDSACASA-N 2 2 262.357 0.861 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000343082756 137113972 /nfs/dbraw/zinc/11/39/72/137113972.db2.gz YQQDJGBRCJNGED-NSHDSACASA-N 2 2 262.357 0.861 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000343082756 137113973 /nfs/dbraw/zinc/11/39/73/137113973.db2.gz YQQDJGBRCJNGED-NSHDSACASA-N 2 2 262.357 0.861 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000343082756 137113974 /nfs/dbraw/zinc/11/39/74/137113974.db2.gz YQQDJGBRCJNGED-NSHDSACASA-N 2 2 262.357 0.861 20 0 CCADLP NC(=O)[C@@H]1CSCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000343584442 137143458 /nfs/dbraw/zinc/14/34/58/137143458.db2.gz OWXVTQBRXLKFPK-JTQLQIEISA-N 2 2 254.359 0.176 20 0 CCADLP NC(=O)[C@@H]1CSCC[N@H+]1CCCn1cc[nH+]c1 ZINC000343584442 137143459 /nfs/dbraw/zinc/14/34/59/137143459.db2.gz OWXVTQBRXLKFPK-JTQLQIEISA-N 2 2 254.359 0.176 20 0 CCADLP CC[N@H+](CC(=O)NCC[NH+]1CCOC[C@@H]1C)C1CC1 ZINC000343691718 137149954 /nfs/dbraw/zinc/14/99/54/137149954.db2.gz GUFYLNJIDUDDPY-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP CC[N@@H+](CC(=O)NCC[NH+]1CCOC[C@@H]1C)C1CC1 ZINC000343691718 137149955 /nfs/dbraw/zinc/14/99/55/137149955.db2.gz GUFYLNJIDUDDPY-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH+](CC(=O)NCC[N@@H+]1CCOC[C@@H]1C)C1CC1 ZINC000343691718 137149956 /nfs/dbraw/zinc/14/99/56/137149956.db2.gz GUFYLNJIDUDDPY-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH+](CC(=O)NCC[N@H+]1CCOC[C@@H]1C)C1CC1 ZINC000343691718 137149957 /nfs/dbraw/zinc/14/99/57/137149957.db2.gz GUFYLNJIDUDDPY-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H](C[NH+](C)C)Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000343812333 137159420 /nfs/dbraw/zinc/15/94/20/137159420.db2.gz VVJIYQWBMWMDIX-LLVKDONJSA-N 2 2 292.387 0.117 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000343344377 137129320 /nfs/dbraw/zinc/12/93/20/137129320.db2.gz CZAIDABIEFUBNR-VNHYZAJKSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000343344377 137129321 /nfs/dbraw/zinc/12/93/21/137129321.db2.gz CZAIDABIEFUBNR-VNHYZAJKSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000343344377 137129322 /nfs/dbraw/zinc/12/93/22/137129322.db2.gz CZAIDABIEFUBNR-VNHYZAJKSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000343344377 137129323 /nfs/dbraw/zinc/12/93/23/137129323.db2.gz CZAIDABIEFUBNR-VNHYZAJKSA-N 2 2 295.427 0.839 20 0 CCADLP O=C([C@H]1CSC[NH2+]1)N1CCN(c2cccc[nH+]2)CC1 ZINC000019514736 348065066 /nfs/dbraw/zinc/06/50/66/348065066.db2.gz KSYMIUYTNCPLDU-LLVKDONJSA-N 2 2 278.381 0.393 20 0 CCADLP O=C([C@H]1CCC[NH2+]C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000019412484 348061276 /nfs/dbraw/zinc/06/12/76/348061276.db2.gz CRBSSCIZPDQPFC-ZDUSSCGKSA-N 2 2 274.368 0.730 20 0 CCADLP O=C([C@@H]1CCC[NH2+]C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000019412482 348061328 /nfs/dbraw/zinc/06/13/28/348061328.db2.gz CRBSSCIZPDQPFC-CYBMUJFWSA-N 2 2 274.368 0.730 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1[nH+]ccn1C ZINC000019456321 348063095 /nfs/dbraw/zinc/06/30/95/348063095.db2.gz OONLKYWDOKZKIY-NSHDSACASA-N 2 2 266.345 0.005 20 0 CCADLP COC(=O)CN1CCC([NH2+][C@H]2CCC[N@H+](C)[C@H]2C)CC1 ZINC000344699899 137208484 /nfs/dbraw/zinc/20/84/84/137208484.db2.gz AVKVEHIXDFJRQT-JSGCOSHPSA-N 2 2 283.416 0.696 20 0 CCADLP COC(=O)CN1CCC([NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)CC1 ZINC000344699899 137208485 /nfs/dbraw/zinc/20/84/85/137208485.db2.gz AVKVEHIXDFJRQT-JSGCOSHPSA-N 2 2 283.416 0.696 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+](Cc2ccnn2CCCOC)C1 ZINC000339407539 215152778 /nfs/dbraw/zinc/15/27/78/215152778.db2.gz OWZNHKWFUCQNMI-CYBMUJFWSA-N 2 2 266.389 0.961 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccnn2CCCOC)C1 ZINC000339407539 215152781 /nfs/dbraw/zinc/15/27/81/215152781.db2.gz OWZNHKWFUCQNMI-CYBMUJFWSA-N 2 2 266.389 0.961 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000040600484 348238827 /nfs/dbraw/zinc/23/88/27/348238827.db2.gz ILQMBHXMBOUJCV-LBPRGKRZSA-N 2 2 284.404 0.544 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000040600484 348238828 /nfs/dbraw/zinc/23/88/28/348238828.db2.gz ILQMBHXMBOUJCV-LBPRGKRZSA-N 2 2 284.404 0.544 20 0 CCADLP CC(C)C[C@@H]([NH3+])C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000040805174 348242119 /nfs/dbraw/zinc/24/21/19/348242119.db2.gz VPQXWCONSAVYSL-GFCCVEGCSA-N 2 2 271.405 0.587 20 0 CCADLP CC[C@@H](C(=O)N[C@@H](C)C[NH+]1CCOCC1)[NH+](CC)CC ZINC000345789618 137253112 /nfs/dbraw/zinc/25/31/12/137253112.db2.gz DOCUYYSDJLWKSH-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP COCCC[NH+]1CCC(NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000346339677 137280155 /nfs/dbraw/zinc/28/01/55/137280155.db2.gz POPPLHVRZOKCKF-UHFFFAOYSA-N 2 2 294.399 0.878 20 0 CCADLP COCCC[NH+]1CCC(NC(=O)Cc2[nH+]c[nH]c2C)CC1 ZINC000346339677 137280156 /nfs/dbraw/zinc/28/01/56/137280156.db2.gz POPPLHVRZOKCKF-UHFFFAOYSA-N 2 2 294.399 0.878 20 0 CCADLP CC[NH+](CC)C[C@@H](C)NC(=O)NCC[NH+]1CCOCC1 ZINC000339440898 215173145 /nfs/dbraw/zinc/17/31/45/215173145.db2.gz LIRWTDRKZNNCAC-CYBMUJFWSA-N 2 2 286.420 0.348 20 0 CCADLP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000346188671 137272373 /nfs/dbraw/zinc/27/23/73/137272373.db2.gz MXFLXGULBUDWJK-HZPDHXFCSA-N 3 2 291.443 0.841 20 0 CCADLP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000346188671 137272374 /nfs/dbraw/zinc/27/23/74/137272374.db2.gz MXFLXGULBUDWJK-HZPDHXFCSA-N 3 2 291.443 0.841 20 0 CCADLP COC(=O)C1CC[NH+](CCCNc2cc(C)[nH+]cn2)CC1 ZINC000346743120 137303718 /nfs/dbraw/zinc/30/37/18/137303718.db2.gz ZSIMSJGJWLZJNE-UHFFFAOYSA-N 2 2 292.383 0.894 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cccc2c1OCO2 ZINC000347100586 137320156 /nfs/dbraw/zinc/32/01/56/137320156.db2.gz LMWLOSYMHXOLEH-UHFFFAOYSA-N 2 2 291.351 0.279 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cccc2c1OCO2 ZINC000347100586 137320157 /nfs/dbraw/zinc/32/01/57/137320157.db2.gz LMWLOSYMHXOLEH-UHFFFAOYSA-N 2 2 291.351 0.279 20 0 CCADLP COC[C@@H](O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347124532 137321260 /nfs/dbraw/zinc/32/12/60/137321260.db2.gz QCPWQIPJGKKUSR-WCQYABFASA-N 2 2 252.314 0.542 20 0 CCADLP COC[C@@H](O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347124532 137321261 /nfs/dbraw/zinc/32/12/61/137321261.db2.gz QCPWQIPJGKKUSR-WCQYABFASA-N 2 2 252.314 0.542 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000339458838 215186833 /nfs/dbraw/zinc/18/68/33/215186833.db2.gz BJFJPUFCIJRGNV-UHFFFAOYSA-N 2 2 298.431 0.444 20 0 CCADLP C[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CC1 ZINC000047915398 348391540 /nfs/dbraw/zinc/39/15/40/348391540.db2.gz VDQOSIPNVQXZRX-UHFFFAOYSA-N 2 2 269.389 0.308 20 0 CCADLP C[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CC1 ZINC000047915398 348391542 /nfs/dbraw/zinc/39/15/42/348391542.db2.gz VDQOSIPNVQXZRX-UHFFFAOYSA-N 2 2 269.389 0.308 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCCN2CC[NH+](C)CC2)C1 ZINC000347723999 137352803 /nfs/dbraw/zinc/35/28/03/137352803.db2.gz PNEJWPARQGVOGW-HUUCEWRRSA-N 3 2 268.449 0.554 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCCN2CC[NH+](C)CC2)C1 ZINC000347723999 137352804 /nfs/dbraw/zinc/35/28/04/137352804.db2.gz PNEJWPARQGVOGW-HUUCEWRRSA-N 3 2 268.449 0.554 20 0 CCADLP Cc1cc[nH+]cc1CCC[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000348174100 137375903 /nfs/dbraw/zinc/37/59/03/137375903.db2.gz OUYAHNUQKPELDV-UHFFFAOYSA-N 2 2 297.424 0.804 20 0 CCADLP CC(=O)N1CC[C@@H]([NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000120576879 349993922 /nfs/dbraw/zinc/99/39/22/349993922.db2.gz BZSUFEFWTROTHN-UHTWSYAYSA-N 2 2 251.374 0.822 20 0 CCADLP CC(=O)N1CC[C@@H]([NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000120576879 349993924 /nfs/dbraw/zinc/99/39/24/349993924.db2.gz BZSUFEFWTROTHN-UHTWSYAYSA-N 2 2 251.374 0.822 20 0 CCADLP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000050461670 348476576 /nfs/dbraw/zinc/47/65/76/348476576.db2.gz WGDKBGYDDJPIFO-QWHCGFSZSA-N 2 2 260.341 0.073 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000055090817 348569476 /nfs/dbraw/zinc/56/94/76/348569476.db2.gz HZIIKAPCRNYWFF-UPJWGTAASA-N 2 2 269.389 0.341 20 0 CCADLP C[C@]1(C(=O)N2CC[NH+](Cc3ccncc3)CC2)CC[NH2+]C1 ZINC000062894609 348672319 /nfs/dbraw/zinc/67/23/19/348672319.db2.gz FJPDAYWNMPWNMN-INIZCTEOSA-N 2 2 288.395 0.725 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)N1CCn2cc[nH+]c2C1 ZINC000062252370 348666985 /nfs/dbraw/zinc/66/69/85/348666985.db2.gz HXUHMGUAXQXILR-UHFFFAOYSA-N 2 2 250.346 0.990 20 0 CCADLP [NH3+][C@H](C(=O)N1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000062254743 348667002 /nfs/dbraw/zinc/66/70/02/348667002.db2.gz HYVRPAJZYFUBGE-ZDUSSCGKSA-N 2 2 256.309 0.925 20 0 CCADLP CCCCn1nnnc1C[NH+]1CCC(C[NH2+]C)CC1 ZINC000063165966 348679654 /nfs/dbraw/zinc/67/96/54/348679654.db2.gz GODCXDAPRGULCO-UHFFFAOYSA-N 2 2 266.393 0.905 20 0 CCADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[N@@H+](C)C1CC1 ZINC000068196068 348802665 /nfs/dbraw/zinc/80/26/65/348802665.db2.gz WELYESRXGIETNJ-LLVKDONJSA-N 2 2 250.346 0.872 20 0 CCADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[N@H+](C)C1CC1 ZINC000068196068 348802663 /nfs/dbraw/zinc/80/26/63/348802663.db2.gz WELYESRXGIETNJ-LLVKDONJSA-N 2 2 250.346 0.872 20 0 CCADLP CC1CC[NH+](C[C@H](O)CNCc2[nH]cc[nH+]2)CC1 ZINC000067122378 348766753 /nfs/dbraw/zinc/76/67/53/348766753.db2.gz CFIDDCRUUNSAHD-GFCCVEGCSA-N 2 2 252.362 0.592 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n(C)n1 ZINC000351487875 137427670 /nfs/dbraw/zinc/42/76/70/137427670.db2.gz DAOHNRSIQJYYDA-SDDRHHMPSA-N 2 2 277.372 0.336 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n(C)n1 ZINC000351487875 137427671 /nfs/dbraw/zinc/42/76/71/137427671.db2.gz DAOHNRSIQJYYDA-SDDRHHMPSA-N 2 2 277.372 0.336 20 0 CCADLP COC(=O)CCNC(=O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075860791 349054447 /nfs/dbraw/zinc/05/44/47/349054447.db2.gz CAHKHYDQOOJNSB-CYBMUJFWSA-N 2 2 299.415 0.472 20 0 CCADLP COC(=O)CCNC(=O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075860791 349054448 /nfs/dbraw/zinc/05/44/48/349054448.db2.gz CAHKHYDQOOJNSB-CYBMUJFWSA-N 2 2 299.415 0.472 20 0 CCADLP COC(=O)CCNC(=O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000075860791 349054449 /nfs/dbraw/zinc/05/44/49/349054449.db2.gz CAHKHYDQOOJNSB-CYBMUJFWSA-N 2 2 299.415 0.472 20 0 CCADLP COC(=O)CCNC(=O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000075860791 349054450 /nfs/dbraw/zinc/05/44/50/349054450.db2.gz CAHKHYDQOOJNSB-CYBMUJFWSA-N 2 2 299.415 0.472 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000080909263 349233824 /nfs/dbraw/zinc/23/38/24/349233824.db2.gz LIKUSWKYXITAJX-CQSZACIVSA-N 2 2 292.383 0.596 20 0 CCADLP Cn1cc[nH+]c1[C@@H](NC(=O)C[NH3+])c1ccccc1F ZINC000082254703 349292870 /nfs/dbraw/zinc/29/28/70/349292870.db2.gz XCZIDENLTZSNPO-LBPRGKRZSA-N 2 2 262.288 0.724 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000081037337 349242420 /nfs/dbraw/zinc/24/24/20/349242420.db2.gz CELTUVBVOICHQW-UHFFFAOYSA-N 2 2 292.383 0.596 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCNC2=O)C1 ZINC000081516270 349271371 /nfs/dbraw/zinc/27/13/71/349271371.db2.gz OMKAXLIADWYMDT-LBPRGKRZSA-N 2 2 282.388 0.202 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCNC2=O)C1 ZINC000081516270 349271373 /nfs/dbraw/zinc/27/13/73/349271373.db2.gz OMKAXLIADWYMDT-LBPRGKRZSA-N 2 2 282.388 0.202 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000081516270 349271375 /nfs/dbraw/zinc/27/13/75/349271375.db2.gz OMKAXLIADWYMDT-LBPRGKRZSA-N 2 2 282.388 0.202 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000081516270 349271378 /nfs/dbraw/zinc/27/13/78/349271378.db2.gz OMKAXLIADWYMDT-LBPRGKRZSA-N 2 2 282.388 0.202 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081632495 349277956 /nfs/dbraw/zinc/27/79/56/349277956.db2.gz PJMRMMLHUVYJKD-CMPLNLGQSA-N 2 2 282.388 0.234 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081632495 349277960 /nfs/dbraw/zinc/27/79/60/349277960.db2.gz PJMRMMLHUVYJKD-CMPLNLGQSA-N 2 2 282.388 0.234 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081632495 349277964 /nfs/dbraw/zinc/27/79/64/349277964.db2.gz PJMRMMLHUVYJKD-CMPLNLGQSA-N 2 2 282.388 0.234 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081632495 349277967 /nfs/dbraw/zinc/27/79/67/349277967.db2.gz PJMRMMLHUVYJKD-CMPLNLGQSA-N 2 2 282.388 0.234 20 0 CCADLP CC(C)[C@@H]([NH2+]Cc1c[nH+]c[nH]1)C(=O)N1CCOCC1 ZINC000084053818 349313231 /nfs/dbraw/zinc/31/32/31/349313231.db2.gz VZSGSNQLJUGADC-GFCCVEGCSA-N 2 2 266.345 0.383 20 0 CCADLP CNC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000339659776 215285880 /nfs/dbraw/zinc/28/58/80/215285880.db2.gz AVFNOGNJQBYPQT-FUNVUKJBSA-N 2 2 269.389 0.306 20 0 CCADLP CNC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000339659776 215285884 /nfs/dbraw/zinc/28/58/84/215285884.db2.gz AVFNOGNJQBYPQT-FUNVUKJBSA-N 2 2 269.389 0.306 20 0 CCADLP CNC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000339659776 215285886 /nfs/dbraw/zinc/28/58/86/215285886.db2.gz AVFNOGNJQBYPQT-FUNVUKJBSA-N 2 2 269.389 0.306 20 0 CCADLP CNC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000339659776 215285888 /nfs/dbraw/zinc/28/58/88/215285888.db2.gz AVFNOGNJQBYPQT-FUNVUKJBSA-N 2 2 269.389 0.306 20 0 CCADLP CC[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)CCS1 ZINC000121162179 350025220 /nfs/dbraw/zinc/02/52/20/350025220.db2.gz NZMARWHQYDPLCY-LBPRGKRZSA-N 2 2 271.430 0.588 20 0 CCADLP CC[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CCS1 ZINC000121162179 350025222 /nfs/dbraw/zinc/02/52/22/350025222.db2.gz NZMARWHQYDPLCY-LBPRGKRZSA-N 2 2 271.430 0.588 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCCNS(C)(=O)=O)C[N@@H+]1C1CC1 ZINC000121257136 350030131 /nfs/dbraw/zinc/03/01/31/350030131.db2.gz XUGUGBIYNMCIBV-WDEREUQCSA-N 2 2 275.418 0.141 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCCNS(C)(=O)=O)C[N@H+]1C1CC1 ZINC000121257136 350030133 /nfs/dbraw/zinc/03/01/33/350030133.db2.gz XUGUGBIYNMCIBV-WDEREUQCSA-N 2 2 275.418 0.141 20 0 CCADLP C[C@@H]1C[C@@H]([NH+](C)CCN2C(=O)NC(C)(C)C2=O)CC[N@@H+]1C ZINC000123750796 350082010 /nfs/dbraw/zinc/08/20/10/350082010.db2.gz SGLYOEXLTVJMSI-NEPJUHHUSA-N 2 2 296.415 0.731 20 0 CCADLP C[C@@H]1C[C@@H]([NH+](C)CCN2C(=O)NC(C)(C)C2=O)CC[N@H+]1C ZINC000123750796 350082014 /nfs/dbraw/zinc/08/20/14/350082014.db2.gz SGLYOEXLTVJMSI-NEPJUHHUSA-N 2 2 296.415 0.731 20 0 CCADLP C[C@@H]1C[C@@H]([N@H+](C)CCN2C(=O)NC(C)(C)C2=O)CC[NH+]1C ZINC000123750796 350082017 /nfs/dbraw/zinc/08/20/17/350082017.db2.gz SGLYOEXLTVJMSI-NEPJUHHUSA-N 2 2 296.415 0.731 20 0 CCADLP C[C@@H]1C[C@@H]([N@@H+](C)CCN2C(=O)NC(C)(C)C2=O)CC[NH+]1C ZINC000123750796 350082021 /nfs/dbraw/zinc/08/20/21/350082021.db2.gz SGLYOEXLTVJMSI-NEPJUHHUSA-N 2 2 296.415 0.731 20 0 CCADLP Cc1cc(N)nc(SCC(=O)NCCC[NH+](C)C)[nH+]1 ZINC000124540783 350100292 /nfs/dbraw/zinc/10/02/92/350100292.db2.gz VNRJUAJBIXGATQ-UHFFFAOYSA-N 2 2 283.401 0.527 20 0 CCADLP C[N@@H+]1CCN(C(=O)c2ccc3c(c2)CCO3)[C@H](C[NH3+])C1 ZINC000124304130 350094418 /nfs/dbraw/zinc/09/44/18/350094418.db2.gz TXTBQUKASQIBTE-CYBMUJFWSA-N 2 2 275.352 0.336 20 0 CCADLP C[N@H+]1CCN(C(=O)c2ccc3c(c2)CCO3)[C@H](C[NH3+])C1 ZINC000124304130 350094421 /nfs/dbraw/zinc/09/44/21/350094421.db2.gz TXTBQUKASQIBTE-CYBMUJFWSA-N 2 2 275.352 0.336 20 0 CCADLP CCCNC(=O)[C@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000124325787 350095291 /nfs/dbraw/zinc/09/52/91/350095291.db2.gz HPYGYLCJMVUAJO-LBPRGKRZSA-N 2 2 271.405 0.602 20 0 CCADLP Cn1ccc(C[NH2+]CCCCN2CC[NH+](CCO)CC2)c1 ZINC000125533920 350124641 /nfs/dbraw/zinc/12/46/41/350124641.db2.gz JBJBFBOBNXWKSB-UHFFFAOYSA-N 2 2 294.443 0.505 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCCn2ccnn2)n1C ZINC000126397845 350145689 /nfs/dbraw/zinc/14/56/89/350145689.db2.gz OAROHGJPARJYSP-UHFFFAOYSA-N 2 2 263.349 0.258 20 0 CCADLP O=C(N[C@@H]1CC[NH2+]C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000127667029 350174643 /nfs/dbraw/zinc/17/46/43/350174643.db2.gz WJNWOPZJZWWTNQ-GFCCVEGCSA-N 2 2 256.309 0.964 20 0 CCADLP C[C@H](O)CNc1cc(NCC[NH+]2CCCCC2)nc[nH+]1 ZINC000413050773 233315711 /nfs/dbraw/zinc/31/57/11/233315711.db2.gz DVIILYCFTJOILY-LBPRGKRZSA-N 2 2 279.388 0.589 20 0 CCADLP CC(C)C(=O)NCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000128366742 350191707 /nfs/dbraw/zinc/19/17/07/350191707.db2.gz FQDMJYZVYJQEGE-VXGBXAGGSA-N 2 2 253.390 0.973 20 0 CCADLP CC(C)C(=O)NCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000128366742 350191710 /nfs/dbraw/zinc/19/17/10/350191710.db2.gz FQDMJYZVYJQEGE-VXGBXAGGSA-N 2 2 253.390 0.973 20 0 CCADLP C[C@H](CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)[NH+](C)C ZINC000271327876 191075926 /nfs/dbraw/zinc/07/59/26/191075926.db2.gz PTQOQLWHPFBFTF-VXGBXAGGSA-N 2 2 279.388 0.800 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC1CC[NH+](C)CC1 ZINC000105130234 186043413 /nfs/dbraw/zinc/04/34/13/186043413.db2.gz RITOWWDWJKKDCE-ZDUSSCGKSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@H](CNC(=O)N[C@@H](C)C[NH+]1CCOCC1)[N@H+](C)C1CC1 ZINC000105130175 186044204 /nfs/dbraw/zinc/04/42/04/186044204.db2.gz YYAHJXCZLHBDDX-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](CNC(=O)N[C@@H](C)C[NH+]1CCOCC1)[N@@H+](C)C1CC1 ZINC000105130175 186044205 /nfs/dbraw/zinc/04/42/05/186044205.db2.gz YYAHJXCZLHBDDX-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000091669041 180223986 /nfs/dbraw/zinc/22/39/86/180223986.db2.gz IEORQSFXVYIKLV-KGLIPLIRSA-N 2 2 277.368 0.003 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000091669041 180223988 /nfs/dbraw/zinc/22/39/88/180223988.db2.gz IEORQSFXVYIKLV-KGLIPLIRSA-N 2 2 277.368 0.003 20 0 CCADLP C[NH+](C)CCNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000133383942 350334278 /nfs/dbraw/zinc/33/42/78/350334278.db2.gz VQQWPQFBTXVFBT-UHFFFAOYSA-N 2 2 275.356 0.738 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)NCC[NH+]1CCOCC1 ZINC000134742551 350374682 /nfs/dbraw/zinc/37/46/82/350374682.db2.gz HYGPHVZOEQHKAN-UHFFFAOYSA-N 2 2 295.387 0.247 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3nccc(N)n3)C2)CC1 ZINC000135059351 350383264 /nfs/dbraw/zinc/38/32/64/350383264.db2.gz CZVIEJLWCLLCEB-CYBMUJFWSA-N 2 2 290.415 0.271 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3nccc(N)n3)C2)CC1 ZINC000135059351 350383267 /nfs/dbraw/zinc/38/32/67/350383267.db2.gz CZVIEJLWCLLCEB-CYBMUJFWSA-N 2 2 290.415 0.271 20 0 CCADLP Cc1cc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)nc[nH+]1 ZINC000151632085 350505520 /nfs/dbraw/zinc/50/55/20/350505520.db2.gz YJBSEKNHZNEVJT-ZDUSSCGKSA-N 2 2 289.383 0.528 20 0 CCADLP Cc1cc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)nc[nH+]1 ZINC000151632085 350505524 /nfs/dbraw/zinc/50/55/24/350505524.db2.gz YJBSEKNHZNEVJT-ZDUSSCGKSA-N 2 2 289.383 0.528 20 0 CCADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CC(=O)N(C)C)CC1 ZINC000154029220 350572352 /nfs/dbraw/zinc/57/23/52/350572352.db2.gz MKIRPOSVQBRVCY-GJZGRUSLSA-N 2 2 296.459 0.565 20 0 CCADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(-n2cnnn2)cc1 ZINC000154368284 350585775 /nfs/dbraw/zinc/58/57/75/350585775.db2.gz WWWIHVKNKPYPLV-FZMZJTMJSA-N 2 2 290.371 0.235 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)NCCC[NH+](C)C ZINC000155324835 350615858 /nfs/dbraw/zinc/61/58/58/350615858.db2.gz FAFCEYDUYGWJAM-UHFFFAOYSA-N 2 2 280.328 0.097 20 0 CCADLP Cc1cc(NCC2CC[NH+](CCO)CC2)nc[nH+]1 ZINC000110560889 186303729 /nfs/dbraw/zinc/30/37/29/186303729.db2.gz MAIWILMNTXWPSQ-UHFFFAOYSA-N 2 2 250.346 0.901 20 0 CCADLP Cc1ccc(OCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c(C)c1 ZINC000162519535 350744612 /nfs/dbraw/zinc/74/46/12/350744612.db2.gz DQMCBJMIIXWYDS-AWEZNQCLSA-N 2 2 291.395 0.784 20 0 CCADLP Cc1ccc(OCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(C)c1 ZINC000162519535 350744615 /nfs/dbraw/zinc/74/46/15/350744615.db2.gz DQMCBJMIIXWYDS-AWEZNQCLSA-N 2 2 291.395 0.784 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000164235429 350776998 /nfs/dbraw/zinc/77/69/98/350776998.db2.gz LBULCKOXGAPCDL-ZDUSSCGKSA-N 2 2 260.341 0.976 20 0 CCADLP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000171286997 350898523 /nfs/dbraw/zinc/89/85/23/350898523.db2.gz KUNODLQNPKBKIZ-HNNXBMFYSA-N 2 2 291.395 0.809 20 0 CCADLP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000171286997 350898526 /nfs/dbraw/zinc/89/85/26/350898526.db2.gz KUNODLQNPKBKIZ-HNNXBMFYSA-N 2 2 291.395 0.809 20 0 CCADLP C[NH+](C)CC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000171392570 350905992 /nfs/dbraw/zinc/90/59/92/350905992.db2.gz FXGYRJJUMMRAFW-UHFFFAOYSA-N 2 2 267.398 0.784 20 0 CCADLP C[NH+](C)CC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000171392570 350905994 /nfs/dbraw/zinc/90/59/94/350905994.db2.gz FXGYRJJUMMRAFW-UHFFFAOYSA-N 2 2 267.398 0.784 20 0 CCADLP NC(=O)CN1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000171633226 350923211 /nfs/dbraw/zinc/92/32/11/350923211.db2.gz XCGFDJRPQRUFGE-UHFFFAOYSA-N 2 2 299.378 0.475 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC000174729932 351100644 /nfs/dbraw/zinc/10/06/44/351100644.db2.gz FREMVNHODQFUPX-AWEZNQCLSA-N 2 2 297.443 0.897 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC000174729932 351100646 /nfs/dbraw/zinc/10/06/46/351100646.db2.gz FREMVNHODQFUPX-AWEZNQCLSA-N 2 2 297.443 0.897 20 0 CCADLP CC(C)[C@H]([NH2+]Cc1c[nH+]cn1C)C(=O)N1CCOCC1 ZINC000176803609 351185366 /nfs/dbraw/zinc/18/53/66/351185366.db2.gz CXXDYDJPMFWVQD-ZDUSSCGKSA-N 2 2 280.372 0.393 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000178762675 351244866 /nfs/dbraw/zinc/24/48/66/351244866.db2.gz FBHJYKAXQYQDSQ-CQSZACIVSA-N 2 2 291.395 0.913 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000178762675 351244870 /nfs/dbraw/zinc/24/48/70/351244870.db2.gz FBHJYKAXQYQDSQ-CQSZACIVSA-N 2 2 291.395 0.913 20 0 CCADLP Cn1c[nH+]cc1CN1CC[NH+](C2CCOCC2)CC1 ZINC000177179966 351196545 /nfs/dbraw/zinc/19/65/45/351196545.db2.gz ZUSFIAXMYXHULZ-UHFFFAOYSA-N 2 2 264.373 0.717 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+]([C@H]3CCNC3=O)CC2)c1 ZINC000178198605 351222649 /nfs/dbraw/zinc/22/26/49/351222649.db2.gz VDQUCMKTZVHIHL-LBPRGKRZSA-N 2 2 276.340 0.101 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(C)(C)C ZINC000181027866 351299433 /nfs/dbraw/zinc/29/94/33/351299433.db2.gz LSQIZAWQLUKPKV-ZIAGYGMSSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H](CC1CC1)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181046919 351301255 /nfs/dbraw/zinc/30/12/55/351301255.db2.gz UAOIXWTZIDQTSG-HIFRSBDPSA-N 2 2 295.427 0.698 20 0 CCADLP Cc1nc(N2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)cc[nH+]1 ZINC000184936214 351427216 /nfs/dbraw/zinc/42/72/16/351427216.db2.gz DXBILHFUDGQDHG-UHFFFAOYSA-N 2 2 291.399 0.774 20 0 CCADLP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000186393678 351494165 /nfs/dbraw/zinc/49/41/65/351494165.db2.gz XPNXDWOCMOHPJX-GJZGRUSLSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000192108974 351784135 /nfs/dbraw/zinc/78/41/35/351784135.db2.gz NYVXXLACXHWMON-MELADBBJSA-N 2 2 283.416 0.683 20 0 CCADLP CC[C@H]1CN(CC[N@@H+]2CCOC[C@@H]2C)CC[NH+]1CCOC ZINC000191484439 351760135 /nfs/dbraw/zinc/76/01/35/351760135.db2.gz VYYRRTXCWLVENK-HOTGVXAUSA-N 2 2 299.459 0.750 20 0 CCADLP CC[C@H]1CN(CC[N@H+]2CCOC[C@@H]2C)CC[NH+]1CCOC ZINC000191484439 351760137 /nfs/dbraw/zinc/76/01/37/351760137.db2.gz VYYRRTXCWLVENK-HOTGVXAUSA-N 2 2 299.459 0.750 20 0 CCADLP CC[C@H]1CN(CC[NH+]2CCOC[C@@H]2C)CC[N@@H+]1CCOC ZINC000191484439 351760139 /nfs/dbraw/zinc/76/01/39/351760139.db2.gz VYYRRTXCWLVENK-HOTGVXAUSA-N 2 2 299.459 0.750 20 0 CCADLP CC[C@H]1CN(CC[NH+]2CCOC[C@@H]2C)CC[N@H+]1CCOC ZINC000191484439 351760140 /nfs/dbraw/zinc/76/01/40/351760140.db2.gz VYYRRTXCWLVENK-HOTGVXAUSA-N 2 2 299.459 0.750 20 0 CCADLP CC[C@H](O)C[NH+]1CCN(CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000191515502 351762115 /nfs/dbraw/zinc/76/21/15/351762115.db2.gz OHZGDJPIDDCXII-GJZGRUSLSA-N 2 2 285.432 0.096 20 0 CCADLP CC[C@H](O)C[NH+]1CCN(CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000191515502 351762117 /nfs/dbraw/zinc/76/21/17/351762117.db2.gz OHZGDJPIDDCXII-GJZGRUSLSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H](Cn1cccn1)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000122553922 187038062 /nfs/dbraw/zinc/03/80/62/187038062.db2.gz MQDCVUKZHNHSJH-CHWSQXEVSA-N 2 2 251.378 0.107 20 0 CCADLP C[C@H](Cn1cccn1)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000122553922 187038063 /nfs/dbraw/zinc/03/80/63/187038063.db2.gz MQDCVUKZHNHSJH-CHWSQXEVSA-N 2 2 251.378 0.107 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cc(C)on1 ZINC000123599454 187100519 /nfs/dbraw/zinc/10/05/19/187100519.db2.gz QUKGFDSNOWVWHE-NSHDSACASA-N 2 2 266.345 0.995 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+]1CCC(=O)Nc1cc(C)on1 ZINC000123599454 187100520 /nfs/dbraw/zinc/10/05/20/187100520.db2.gz QUKGFDSNOWVWHE-NSHDSACASA-N 2 2 266.345 0.995 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)n1C ZINC000227551514 352053344 /nfs/dbraw/zinc/05/33/44/352053344.db2.gz JFYFGUKDXLIJDH-ZYHUDNBSSA-N 2 2 252.362 0.737 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)no1 ZINC000228080223 352067456 /nfs/dbraw/zinc/06/74/56/352067456.db2.gz TZRCMEDHASKFCV-SCZZXKLOSA-N 2 2 252.318 0.591 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)no1 ZINC000228080223 352067458 /nfs/dbraw/zinc/06/74/58/352067458.db2.gz 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C[N@@H+]1CC[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000272173659 353041168 /nfs/dbraw/zinc/04/11/68/353041168.db2.gz IRQPHNKOEXFNSJ-LBPRGKRZSA-N 2 2 285.351 0.949 20 0 CCADLP C[N@H+]1CC[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000272173659 353041173 /nfs/dbraw/zinc/04/11/73/353041173.db2.gz IRQPHNKOEXFNSJ-LBPRGKRZSA-N 2 2 285.351 0.949 20 0 CCADLP C[C@H](NC(=O)NCCn1cc[nH+]c1)C1=CC[N@H+](C)CC1 ZINC000272635847 353081455 /nfs/dbraw/zinc/08/14/55/353081455.db2.gz MPGNNFXKGKNVIC-LBPRGKRZSA-N 2 2 277.372 0.833 20 0 CCADLP C[C@H](NC(=O)NCCn1cc[nH+]c1)C1=CC[N@@H+](C)CC1 ZINC000272635847 353081458 /nfs/dbraw/zinc/08/14/58/353081458.db2.gz MPGNNFXKGKNVIC-LBPRGKRZSA-N 2 2 277.372 0.833 20 0 CCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cocn1 ZINC000276942017 353212910 /nfs/dbraw/zinc/21/29/10/353212910.db2.gz AQIGIOKIALTCCW-ZDUSSCGKSA-N 2 2 280.372 0.707 20 0 CCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cocn1 ZINC000276942017 353212912 /nfs/dbraw/zinc/21/29/12/353212912.db2.gz AQIGIOKIALTCCW-ZDUSSCGKSA-N 2 2 280.372 0.707 20 0 CCADLP C[C@H](NC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)[C@H](C)[NH+]1CCOCC1 ZINC000655447081 412575633 /nfs/dbraw/zinc/57/56/33/412575633.db2.gz OWAYKIRGZFFQPO-RZLSGREXSA-N 2 2 295.427 0.602 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000531663458 358477092 /nfs/dbraw/zinc/47/70/92/358477092.db2.gz FLMFKZNMMPOBEF-SOUVJXGZSA-N 2 2 295.427 0.840 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000531663458 358477097 /nfs/dbraw/zinc/47/70/97/358477097.db2.gz FLMFKZNMMPOBEF-SOUVJXGZSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CC[NH2+]C3CC3)C2)CC1 ZINC000655448834 412576041 /nfs/dbraw/zinc/57/60/41/412576041.db2.gz ZCKSTKNWAIQRCG-AWEZNQCLSA-N 3 2 294.443 0.413 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CC[NH2+]C3CC3)C2)CC1 ZINC000655448834 412576046 /nfs/dbraw/zinc/57/60/46/412576046.db2.gz ZCKSTKNWAIQRCG-AWEZNQCLSA-N 3 2 294.443 0.413 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[N@H+]1CC=CCC1 ZINC000280315476 353354539 /nfs/dbraw/zinc/35/45/39/353354539.db2.gz TZTPKHUZZKDZMM-UHFFFAOYSA-N 2 2 262.357 0.731 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[N@@H+]1CC=CCC1 ZINC000280315476 353354541 /nfs/dbraw/zinc/35/45/41/353354541.db2.gz TZTPKHUZZKDZMM-UHFFFAOYSA-N 2 2 262.357 0.731 20 0 CCADLP CC[NH+](CC)CCNC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000280780062 353382775 /nfs/dbraw/zinc/38/27/75/353382775.db2.gz NGLCWHWQCZZTHH-CYBMUJFWSA-N 2 2 281.404 0.481 20 0 CCADLP CSCC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000157978994 188351130 /nfs/dbraw/zinc/35/11/30/188351130.db2.gz FPOPBGLMWKYULR-VXGBXAGGSA-N 2 2 294.424 0.857 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655450237 412578027 /nfs/dbraw/zinc/57/80/27/412578027.db2.gz HEGTYYCQALWOJJ-UTUOFQBUSA-N 2 2 262.357 0.641 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CC(=O)NCC1(C)C ZINC000282880987 353460004 /nfs/dbraw/zinc/46/00/04/353460004.db2.gz VRUYZGCDICGJES-UHFFFAOYSA-N 2 2 250.346 0.792 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CC(=O)NCC1(C)C ZINC000282880987 353460006 /nfs/dbraw/zinc/46/00/06/353460006.db2.gz VRUYZGCDICGJES-UHFFFAOYSA-N 2 2 250.346 0.792 20 0 CCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000655458053 412580326 /nfs/dbraw/zinc/58/03/26/412580326.db2.gz KCNZVCPTFXYZJY-JHJVBQTASA-N 2 2 274.368 0.656 20 0 CCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000655463965 412581862 /nfs/dbraw/zinc/58/18/62/412581862.db2.gz BQJFVBOXKZZNCF-HZSPNIEDSA-N 2 2 288.395 0.904 20 0 CCADLP CO[C@H](C[NH3+])C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000290015674 353701974 /nfs/dbraw/zinc/70/19/74/353701974.db2.gz FBHUUHDXXPHVFC-CQSZACIVSA-N 2 2 293.367 0.010 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]Cc1c[nH]c2nccnc12 ZINC000290930463 353758732 /nfs/dbraw/zinc/75/87/32/353758732.db2.gz RXVDMTAKQDIBNW-UHFFFAOYSA-N 2 2 263.345 0.362 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]Cc1c[nH]c2nccnc12 ZINC000290930463 353758738 /nfs/dbraw/zinc/75/87/38/353758738.db2.gz RXVDMTAKQDIBNW-UHFFFAOYSA-N 2 2 263.345 0.362 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)N1CCn2c[nH+]cc2C1 ZINC000291140727 353770117 /nfs/dbraw/zinc/77/01/17/353770117.db2.gz XCECROAGUMNIBX-UHFFFAOYSA-N 2 2 295.387 0.377 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)N1CCn2c[nH+]cc2C1 ZINC000291140727 353770120 /nfs/dbraw/zinc/77/01/20/353770120.db2.gz XCECROAGUMNIBX-UHFFFAOYSA-N 2 2 295.387 0.377 20 0 CCADLP Cn1ncc2c1nc(N1CC[C@@H](C[NH+](C)C)C1)[nH+]c2N ZINC000293242580 353799434 /nfs/dbraw/zinc/79/94/34/353799434.db2.gz ZHUAVQQBLBNCOA-VIFPVBQESA-N 2 2 275.360 0.333 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000167684552 299208733 /nfs/dbraw/zinc/20/87/33/299208733.db2.gz IOPBEKWBUFEMJM-RWMBFGLXSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[NH2+][C@H](C)C1 ZINC000300138258 354058826 /nfs/dbraw/zinc/05/88/26/354058826.db2.gz KCWQURKFAJZPIP-IJLUTSLNSA-N 2 2 250.346 0.776 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CC(C)(C)O)CC1 ZINC000304662350 354119939 /nfs/dbraw/zinc/11/99/39/354119939.db2.gz ALZKTPWJPGGIPP-LBPRGKRZSA-N 2 2 271.405 0.242 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CC(C)(C)O)CC1 ZINC000304662350 354119942 /nfs/dbraw/zinc/11/99/42/354119942.db2.gz ALZKTPWJPGGIPP-LBPRGKRZSA-N 2 2 271.405 0.242 20 0 CCADLP COC[C@@]1(CNC(=O)Nc2cc[nH+]c(C)c2)CCC[NH2+]1 ZINC000556979386 291018908 /nfs/dbraw/zinc/01/89/08/291018908.db2.gz DDVZPYKDDYHMJR-AWEZNQCLSA-N 2 2 278.356 0.702 20 0 CCADLP CC[C@@H]1CN(c2cc[nH+]c(N(C)C)n2)CC[N@@H+]1C[C@H](C)O ZINC000607145035 363339652 /nfs/dbraw/zinc/33/96/52/363339652.db2.gz RSNWUKCPANBXQA-QWHCGFSZSA-N 2 2 293.415 0.824 20 0 CCADLP CC[C@@H]1CN(c2cc[nH+]c(N(C)C)n2)CC[N@H+]1C[C@H](C)O ZINC000607145035 363339657 /nfs/dbraw/zinc/33/96/57/363339657.db2.gz RSNWUKCPANBXQA-QWHCGFSZSA-N 2 2 293.415 0.824 20 0 CCADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(C(=O)[C@@H](C)O)CC1 ZINC000305743229 354157541 /nfs/dbraw/zinc/15/75/41/354157541.db2.gz TVAUBEXALIOTDP-CYBMUJFWSA-N 2 2 294.399 0.497 20 0 CCADLP CCOC(=O)[C@H](CC)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000311793974 354203025 /nfs/dbraw/zinc/20/30/25/354203025.db2.gz MNHKALOEHLCBBF-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313352160 354213859 /nfs/dbraw/zinc/21/38/59/354213859.db2.gz NREKVZNBJFUWDS-KGLIPLIRSA-N 2 2 283.416 0.827 20 0 CCADLP CC[C@@H]1CCCCN1C(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313352160 354213862 /nfs/dbraw/zinc/21/38/62/354213862.db2.gz NREKVZNBJFUWDS-KGLIPLIRSA-N 2 2 283.416 0.827 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)NCc2ccc[nH+]c2N(C)C)[N@H+](C)C1 ZINC000330508102 354385279 /nfs/dbraw/zinc/38/52/79/354385279.db2.gz ABBBEMGYPWAKTH-STQMWFEESA-N 2 2 292.383 0.483 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)NCc2ccc[nH+]c2N(C)C)[N@@H+](C)C1 ZINC000330508102 354385281 /nfs/dbraw/zinc/38/52/81/354385281.db2.gz ABBBEMGYPWAKTH-STQMWFEESA-N 2 2 292.383 0.483 20 0 CCADLP COC(=O)[C@@]1(C)CCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000330448312 354363022 /nfs/dbraw/zinc/36/30/22/354363022.db2.gz WGTXVXCDTPSKKP-OAHLLOKOSA-N 2 2 297.399 0.178 20 0 CCADLP COC(=O)[C@@]1(C)CCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000330448312 354363025 /nfs/dbraw/zinc/36/30/25/354363025.db2.gz WGTXVXCDTPSKKP-OAHLLOKOSA-N 2 2 297.399 0.178 20 0 CCADLP CCn1cc([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cn1 ZINC000331109845 354452768 /nfs/dbraw/zinc/45/27/68/354452768.db2.gz HWNZLOAYRUOUQA-LBPRGKRZSA-N 2 2 279.388 0.328 20 0 CCADLP Cc1nc(NC[C@@H]2[NH2+]CCCC2(C)C)nc(N(C)C)[nH+]1 ZINC000557322754 291030881 /nfs/dbraw/zinc/03/08/81/291030881.db2.gz DQPSNMWJWWRYQW-NSHDSACASA-N 2 2 278.404 0.858 20 0 CCADLP CC[C@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)c1[nH]cc[nH+]1 ZINC000331262838 354509909 /nfs/dbraw/zinc/50/99/09/354509909.db2.gz DWCYUHCPVAXCDE-RYUDHWBXSA-N 2 2 280.372 0.945 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000332214363 354629946 /nfs/dbraw/zinc/62/99/46/354629946.db2.gz WBHKWQAEBAAPFI-GFCCVEGCSA-N 2 2 271.324 0.722 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000332214363 354629950 /nfs/dbraw/zinc/62/99/50/354629950.db2.gz WBHKWQAEBAAPFI-GFCCVEGCSA-N 2 2 271.324 0.722 20 0 CCADLP C[NH2+][C@@H]1CCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000332156173 354621679 /nfs/dbraw/zinc/62/16/79/354621679.db2.gz RMMHQZSPOZPVGY-OLZOCXBDSA-N 2 2 289.383 0.664 20 0 CCADLP COCCNC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423024415 234916348 /nfs/dbraw/zinc/91/63/48/234916348.db2.gz JFWXWURTAOXWJU-MJBXVCDLSA-N 2 2 285.432 0.894 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CC3CCC2CC3)CC1 ZINC000334698230 354926686 /nfs/dbraw/zinc/92/66/86/354926686.db2.gz ACTJFIOWHMYAFP-RUXDESIVSA-N 2 2 265.401 0.929 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000335097243 354962331 /nfs/dbraw/zinc/96/23/31/354962331.db2.gz BQADVAQHAXRUBH-GXTWGEPZSA-N 2 2 276.384 0.905 20 0 CCADLP Cc1cc[nH+]cc1N1CC[NH+](CCN2CCNC2=O)CC1 ZINC000558168640 291050758 /nfs/dbraw/zinc/05/07/58/291050758.db2.gz PPAUPIPUVVBTKC-UHFFFAOYSA-N 2 2 289.383 0.537 20 0 CCADLP C[C@@]1(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CCCC[NH2+]1 ZINC000423766662 235069123 /nfs/dbraw/zinc/06/91/23/235069123.db2.gz YDBDIDYBOKPBJN-HIFRSBDPSA-N 2 2 281.400 0.498 20 0 CCADLP C[C@@]1(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CCCC[NH2+]1 ZINC000423766662 235069125 /nfs/dbraw/zinc/06/91/25/235069125.db2.gz YDBDIDYBOKPBJN-HIFRSBDPSA-N 2 2 281.400 0.498 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCNc1cccc[nH+]1 ZINC000558397079 291054342 /nfs/dbraw/zinc/05/43/42/291054342.db2.gz KCFQZHMBIRQGLY-UHFFFAOYSA-N 2 2 259.313 0.586 20 0 CCADLP Nc1cc[nH+]cc1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000423804298 235086926 /nfs/dbraw/zinc/08/69/26/235086926.db2.gz QXAYLACCLJSTAK-NSHDSACASA-N 2 2 283.335 0.898 20 0 CCADLP C[N@@H+]1CC[C@@H]2OCCN(C(=O)C=Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC000493166908 283083673 /nfs/dbraw/zinc/08/36/73/283083673.db2.gz ZHAKWRLFHPSWOK-FAQRPARDSA-N 2 2 276.340 0.354 20 0 CCADLP C[N@H+]1CC[C@@H]2OCCN(C(=O)C=Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC000493166908 283083678 /nfs/dbraw/zinc/08/36/78/283083678.db2.gz ZHAKWRLFHPSWOK-FAQRPARDSA-N 2 2 276.340 0.354 20 0 CCADLP C[N@H+](CC[C@H]1CCC[NH+]1C)C[C@@H]1CCS(=O)(=O)C1 ZINC000336689475 355136008 /nfs/dbraw/zinc/13/60/08/355136008.db2.gz BRYHOEGQHISMHE-QWHCGFSZSA-N 2 2 274.430 0.837 20 0 CCADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@@H]1CCS(=O)(=O)C1 ZINC000336689475 355136010 /nfs/dbraw/zinc/13/60/10/355136010.db2.gz BRYHOEGQHISMHE-QWHCGFSZSA-N 2 2 274.430 0.837 20 0 CCADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@@H]1CCS(=O)(=O)C1 ZINC000336689475 355136013 /nfs/dbraw/zinc/13/60/13/355136013.db2.gz BRYHOEGQHISMHE-QWHCGFSZSA-N 2 2 274.430 0.837 20 0 CCADLP C[NH+](CC[C@H]1CCC[N@H+]1C)C[C@@H]1CCS(=O)(=O)C1 ZINC000336689475 355136015 /nfs/dbraw/zinc/13/60/15/355136015.db2.gz BRYHOEGQHISMHE-QWHCGFSZSA-N 2 2 274.430 0.837 20 0 CCADLP O=C1NCCN1CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000336833239 355207144 /nfs/dbraw/zinc/20/71/44/355207144.db2.gz GJNUACIJSXZKPF-UHFFFAOYSA-N 2 2 280.416 0.962 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cnc(C)cn3)C2)CC1 ZINC000336838791 355208952 /nfs/dbraw/zinc/20/89/52/355208952.db2.gz RCGMGDFUWIVGDO-MRXNPFEDSA-N 2 2 289.427 0.997 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnc(C)cn3)C2)CC1 ZINC000336838791 355208957 /nfs/dbraw/zinc/20/89/57/355208957.db2.gz RCGMGDFUWIVGDO-MRXNPFEDSA-N 2 2 289.427 0.997 20 0 CCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000424181964 235172952 /nfs/dbraw/zinc/17/29/52/235172952.db2.gz SIZVIZRVTFLHTL-QWHCGFSZSA-N 2 2 292.383 0.190 20 0 CCADLP C[C@@H](O)CCC[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000336816128 355190481 /nfs/dbraw/zinc/19/04/81/355190481.db2.gz KPBXDMSAHCNHBI-CYBMUJFWSA-N 2 2 266.389 0.699 20 0 CCADLP O=C(C[C@@H]1CSCC[NH2+]1)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424195317 235176701 /nfs/dbraw/zinc/17/67/01/235176701.db2.gz SRKOUAXUHAGVGF-NXEZZACHSA-N 2 2 293.383 0.443 20 0 CCADLP Cn1ccnc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000336824879 355198819 /nfs/dbraw/zinc/19/88/19/355198819.db2.gz WIVSONPJVLLPEL-UHFFFAOYSA-N 2 2 278.400 0.964 20 0 CCADLP c1cc(O[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc[nH+]1 ZINC000336825762 355200439 /nfs/dbraw/zinc/20/04/39/355200439.db2.gz ZNVWBEJPNIJUPO-OAHLLOKOSA-N 2 2 277.368 0.867 20 0 CCADLP c1cc(O[C@@H]2CC[N@H+](CCN3CCOCC3)C2)cc[nH+]1 ZINC000336825762 355200442 /nfs/dbraw/zinc/20/04/42/355200442.db2.gz ZNVWBEJPNIJUPO-OAHLLOKOSA-N 2 2 277.368 0.867 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)NCC[NH+]1CCSCC1 ZINC000271789198 191327838 /nfs/dbraw/zinc/32/78/38/191327838.db2.gz NBGDMISASOQVPA-UHFFFAOYSA-N 2 2 297.428 0.610 20 0 CCADLP Cn1cc(CC[N@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cn1 ZINC000424285828 235193538 /nfs/dbraw/zinc/19/35/38/235193538.db2.gz FIGVCYBXWIDMBJ-UONOGXRCSA-N 2 2 274.372 0.123 20 0 CCADLP Cn1cc(CC[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cn1 ZINC000424285828 235193541 /nfs/dbraw/zinc/19/35/41/235193541.db2.gz FIGVCYBXWIDMBJ-UONOGXRCSA-N 2 2 274.372 0.123 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC(O[C@@H]2CCOC2)CC1)C1CC1 ZINC000336848917 355217595 /nfs/dbraw/zinc/21/75/95/355217595.db2.gz NZZDMMJIZIVAED-GOEBONIOSA-N 2 2 298.427 0.711 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(O[C@@H]2CCOC2)CC1)C1CC1 ZINC000336848917 355217599 /nfs/dbraw/zinc/21/75/99/355217599.db2.gz NZZDMMJIZIVAED-GOEBONIOSA-N 2 2 298.427 0.711 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000337279025 355295996 /nfs/dbraw/zinc/29/59/96/355295996.db2.gz TWRWKEHCPBUQNV-UHFFFAOYSA-N 2 2 299.415 0.426 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337279025 355296000 /nfs/dbraw/zinc/29/60/00/355296000.db2.gz TWRWKEHCPBUQNV-UHFFFAOYSA-N 2 2 299.415 0.426 20 0 CCADLP OC[C@@]1(F)CC[NH+](C/C=C\C[N@H+]2CC[C@@](F)(CO)C2)C1 ZINC000338594162 355374363 /nfs/dbraw/zinc/37/43/63/355374363.db2.gz OMLOGHWLVDSVMY-YZRRVPADSA-N 2 2 290.354 0.355 20 0 CCADLP OC[C@@]1(F)CC[NH+](C/C=C\C[N@@H+]2CC[C@@](F)(CO)C2)C1 ZINC000338594162 355374366 /nfs/dbraw/zinc/37/43/66/355374366.db2.gz OMLOGHWLVDSVMY-YZRRVPADSA-N 2 2 290.354 0.355 20 0 CCADLP OC[C@@]1(F)CC[N@@H+](C/C=C\C[NH+]2CC[C@@](F)(CO)C2)C1 ZINC000338594162 355374369 /nfs/dbraw/zinc/37/43/69/355374369.db2.gz OMLOGHWLVDSVMY-YZRRVPADSA-N 2 2 290.354 0.355 20 0 CCADLP OC[C@@]1(F)CC[N@H+](C/C=C\C[NH+]2CC[C@@](F)(CO)C2)C1 ZINC000338594162 355374373 /nfs/dbraw/zinc/37/43/73/355374373.db2.gz OMLOGHWLVDSVMY-YZRRVPADSA-N 2 2 290.354 0.355 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000339177047 355500036 /nfs/dbraw/zinc/50/00/36/355500036.db2.gz YSVUJKNMPVPDIA-CQSZACIVSA-N 2 2 292.383 0.332 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000339177047 355500040 /nfs/dbraw/zinc/50/00/40/355500040.db2.gz YSVUJKNMPVPDIA-CQSZACIVSA-N 2 2 292.383 0.332 20 0 CCADLP CN(CC(F)F)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340248201 355537742 /nfs/dbraw/zinc/53/77/42/355537742.db2.gz GVJSCNVKFRWTSO-UHFFFAOYSA-N 2 2 292.374 0.919 20 0 CCADLP COCCC[N@H+](C)CCNCc1[nH+]cc(C)n1C ZINC000341061646 355597668 /nfs/dbraw/zinc/59/76/68/355597668.db2.gz XAOSPYCNELHRFS-UHFFFAOYSA-N 2 2 254.378 0.786 20 0 CCADLP COCCC[N@@H+](C)CCNCc1[nH+]cc(C)n1C ZINC000341061646 355597669 /nfs/dbraw/zinc/59/76/69/355597669.db2.gz XAOSPYCNELHRFS-UHFFFAOYSA-N 2 2 254.378 0.786 20 0 CCADLP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C(=O)NCCF ZINC000425390139 235291245 /nfs/dbraw/zinc/29/12/45/235291245.db2.gz YCVDWFOPLZMENB-VIFPVBQESA-N 2 2 271.340 0.050 20 0 CCADLP CO[C@H](C[NH+]1CCN(Cc2[nH+]ccn2C)CC1)C1CC1 ZINC000425409436 235294031 /nfs/dbraw/zinc/29/40/31/235294031.db2.gz VSEVCWJGFAZIEG-CQSZACIVSA-N 2 2 278.400 0.963 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)C[NH+](C)C ZINC000341306924 355649844 /nfs/dbraw/zinc/64/98/44/355649844.db2.gz WLPZEIKBSCOSOO-HIFRSBDPSA-N 2 2 297.443 0.801 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1)C[NH+](C)C ZINC000341306924 355649847 /nfs/dbraw/zinc/64/98/47/355649847.db2.gz WLPZEIKBSCOSOO-HIFRSBDPSA-N 2 2 297.443 0.801 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1nccn1C ZINC000341706828 355719286 /nfs/dbraw/zinc/71/92/86/355719286.db2.gz IKYQUOFRLWPEED-OLZOCXBDSA-N 2 2 293.415 0.658 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1nccn1C ZINC000341706828 355719289 /nfs/dbraw/zinc/71/92/89/355719289.db2.gz IKYQUOFRLWPEED-OLZOCXBDSA-N 2 2 293.415 0.658 20 0 CCADLP Cc1c[nH+]c(CN2CC[C@@H](C[NH+]3CCOCC3)C2)n1C ZINC000342773348 355743175 /nfs/dbraw/zinc/74/31/75/355743175.db2.gz CCNAJWNFRHHTOL-AWEZNQCLSA-N 2 2 278.400 0.883 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C[C@@H]1[NH+]1CCOCC1 ZINC000342774928 355743481 /nfs/dbraw/zinc/74/34/81/355743481.db2.gz DXQPWNUKYPCBOO-KBXIAJHMSA-N 2 2 295.427 0.363 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C[C@@H]1[NH+]1CCOCC1 ZINC000342774928 355743484 /nfs/dbraw/zinc/74/34/84/355743484.db2.gz DXQPWNUKYPCBOO-KBXIAJHMSA-N 2 2 295.427 0.363 20 0 CCADLP COCC[N@@H+]1CCN(Cc2[nH+]cc(C)n2C)C[C@@H]1C ZINC000342790382 355746815 /nfs/dbraw/zinc/74/68/15/355746815.db2.gz ZKCHXOKGKKLVRE-ZDUSSCGKSA-N 2 2 266.389 0.881 20 0 CCADLP COCC[N@H+]1CCN(Cc2[nH+]cc(C)n2C)C[C@@H]1C ZINC000342790382 355746819 /nfs/dbraw/zinc/74/68/19/355746819.db2.gz ZKCHXOKGKKLVRE-ZDUSSCGKSA-N 2 2 266.389 0.881 20 0 CCADLP O=C(C[C@H]1CC[NH2+]C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000427323343 235359385 /nfs/dbraw/zinc/35/93/85/235359385.db2.gz WRGJNGRSVCFAFB-KGLIPLIRSA-N 2 2 281.400 0.309 20 0 CCADLP Cc1ncc(C[NH2+]C[C@H](C)C[NH+]2CCOCC2)cn1 ZINC000344524367 355790467 /nfs/dbraw/zinc/79/04/67/355790467.db2.gz JQFARVHIVICLAK-LBPRGKRZSA-N 2 2 264.373 0.843 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377755907 137787243 /nfs/dbraw/zinc/78/72/43/137787243.db2.gz LXLLRAYEDYRUTC-NWDGAFQWSA-N 2 2 262.357 0.672 20 0 CCADLP CC[N@@H+]1C[C@H](C)N(C(=O)NCC[NH+]2CCOCC2)C[C@@H]1C ZINC000345398771 355815565 /nfs/dbraw/zinc/81/55/65/355815565.db2.gz SWSMGGONXBLSKW-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP CC[N@H+]1C[C@H](C)N(C(=O)NCC[NH+]2CCOCC2)C[C@@H]1C ZINC000345398771 355815568 /nfs/dbraw/zinc/81/55/68/355815568.db2.gz SWSMGGONXBLSKW-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000348367502 355921041 /nfs/dbraw/zinc/92/10/41/355921041.db2.gz COVPCCVVFNIWOP-ILXRZTDVSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CCN1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000351266835 356000743 /nfs/dbraw/zinc/00/07/43/356000743.db2.gz FPZJLXIXGREJPA-CQSZACIVSA-N 2 2 296.459 0.742 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CCN1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000351266835 356000747 /nfs/dbraw/zinc/00/07/47/356000747.db2.gz FPZJLXIXGREJPA-CQSZACIVSA-N 2 2 296.459 0.742 20 0 CCADLP CC[N@@H+]1CCN(CC[NH+]2CCOC[C@H]2C)[C@@H](C)C1 ZINC000352667974 356048257 /nfs/dbraw/zinc/04/82/57/356048257.db2.gz ONSMHQCFHYLDKB-UONOGXRCSA-N 2 2 255.406 0.733 20 0 CCADLP CC[N@H+]1CCN(CC[NH+]2CCOC[C@H]2C)[C@@H](C)C1 ZINC000352667974 356048259 /nfs/dbraw/zinc/04/82/59/356048259.db2.gz ONSMHQCFHYLDKB-UONOGXRCSA-N 2 2 255.406 0.733 20 0 CCADLP CC[NH+]1CCN(CC[N@@H+]2CCOC[C@H]2C)[C@@H](C)C1 ZINC000352667974 356048260 /nfs/dbraw/zinc/04/82/60/356048260.db2.gz ONSMHQCFHYLDKB-UONOGXRCSA-N 2 2 255.406 0.733 20 0 CCADLP CC[NH+]1CCN(CC[N@H+]2CCOC[C@H]2C)[C@@H](C)C1 ZINC000352667974 356048261 /nfs/dbraw/zinc/04/82/61/356048261.db2.gz ONSMHQCFHYLDKB-UONOGXRCSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@@H](C(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C)[NH+]1CCSCC1 ZINC000352015946 356009087 /nfs/dbraw/zinc/00/90/87/356009087.db2.gz UCOLEEWEIVGULT-AGIUHOORSA-N 2 2 285.457 0.975 20 0 CCADLP C[C@@H](C(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C)[NH+]1CCSCC1 ZINC000352015946 356009091 /nfs/dbraw/zinc/00/90/91/356009091.db2.gz UCOLEEWEIVGULT-AGIUHOORSA-N 2 2 285.457 0.975 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]CCS(C)(=O)=O)[C@H]2CCC[C@@H]21 ZINC000367639893 283136045 /nfs/dbraw/zinc/13/60/45/283136045.db2.gz XKGHMNMGPRVRNX-WOPDTQHZSA-N 2 2 260.403 0.493 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]CCS(C)(=O)=O)[C@H]2CCC[C@@H]21 ZINC000367639893 283136051 /nfs/dbraw/zinc/13/60/51/283136051.db2.gz XKGHMNMGPRVRNX-WOPDTQHZSA-N 2 2 260.403 0.493 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC[N@H+](C)C1CC1 ZINC000352606054 356029577 /nfs/dbraw/zinc/02/95/77/356029577.db2.gz UEAUACSKPYSEFZ-LLVKDONJSA-N 2 2 265.361 0.665 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC[N@@H+](C)C1CC1 ZINC000352606054 356029585 /nfs/dbraw/zinc/02/95/85/356029585.db2.gz UEAUACSKPYSEFZ-LLVKDONJSA-N 2 2 265.361 0.665 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CC[NH+]1CCOCC1 ZINC000352815022 356088830 /nfs/dbraw/zinc/08/88/30/356088830.db2.gz KRGMODBCOMWBKK-CABCVRRESA-N 2 2 267.417 0.877 20 0 CCADLP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2n[nH]cc2C)CC1 ZINC000352836240 356092607 /nfs/dbraw/zinc/09/26/07/356092607.db2.gz SOBALNGFLRUGEP-ZDUSSCGKSA-N 2 2 265.405 0.834 20 0 CCADLP CNC(=O)COc1cccc(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000353119695 356159497 /nfs/dbraw/zinc/15/94/97/356159497.db2.gz OUXBOJCSKTVENM-WFASDCNBSA-N 2 2 291.395 0.851 20 0 CCADLP CNC(=O)COc1cccc(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000353119695 356159498 /nfs/dbraw/zinc/15/94/98/356159498.db2.gz OUXBOJCSKTVENM-WFASDCNBSA-N 2 2 291.395 0.851 20 0 CCADLP COCC[NH+](CCOC)C1CC[NH+](CCO)CC1 ZINC000353011479 356137803 /nfs/dbraw/zinc/13/78/03/356137803.db2.gz ZPLGKFUWXRGSQD-UHFFFAOYSA-N 2 2 260.378 0.038 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000353579525 356253136 /nfs/dbraw/zinc/25/31/36/356253136.db2.gz QBRGWKUMYWGVCK-TZMCWYRMSA-N 2 2 277.368 0.523 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000353579525 356253137 /nfs/dbraw/zinc/25/31/37/356253137.db2.gz QBRGWKUMYWGVCK-TZMCWYRMSA-N 2 2 277.368 0.523 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000353580937 356254038 /nfs/dbraw/zinc/25/40/38/356254038.db2.gz VFVQBQJYWNRVQC-AAEUAGOBSA-N 2 2 257.378 0.341 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000353580937 356254040 /nfs/dbraw/zinc/25/40/40/356254040.db2.gz VFVQBQJYWNRVQC-AAEUAGOBSA-N 2 2 257.378 0.341 20 0 CCADLP Cc1nc(N2CC[NH+](CC3(C)COC3)CC2)cc[nH+]1 ZINC000353622972 356260404 /nfs/dbraw/zinc/26/04/04/356260404.db2.gz DLCKCERTIHICRF-UHFFFAOYSA-N 2 2 262.357 0.944 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000353652304 356265673 /nfs/dbraw/zinc/26/56/73/356265673.db2.gz XYDHRMUPBSWVFL-HNNXBMFYSA-N 2 2 293.415 0.582 20 0 CCADLP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC[N@@H+]1C ZINC000360819671 138011808 /nfs/dbraw/zinc/01/18/08/138011808.db2.gz SZBISRWPDUGOSD-OUAUKWLOSA-N 2 2 275.343 0.925 20 0 CCADLP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC[N@H+]1C ZINC000360819671 138011809 /nfs/dbraw/zinc/01/18/09/138011809.db2.gz SZBISRWPDUGOSD-OUAUKWLOSA-N 2 2 275.343 0.925 20 0 CCADLP C[C@H]1C[C@H](C(=O)NCC[NH+]2CCOC(C)(C)C2)CC[N@@H+]1C ZINC000353691724 356273855 /nfs/dbraw/zinc/27/38/55/356273855.db2.gz NVGPKRAKDVUCDL-UONOGXRCSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H]1C[C@H](C(=O)NCC[NH+]2CCOC(C)(C)C2)CC[N@H+]1C ZINC000353691724 356273859 /nfs/dbraw/zinc/27/38/59/356273859.db2.gz NVGPKRAKDVUCDL-UONOGXRCSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H]1C[C@H](C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC[NH+]1C ZINC000353691724 356273864 /nfs/dbraw/zinc/27/38/64/356273864.db2.gz NVGPKRAKDVUCDL-UONOGXRCSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H]1C[C@H](C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC[NH+]1C ZINC000353691724 356273866 /nfs/dbraw/zinc/27/38/66/356273866.db2.gz NVGPKRAKDVUCDL-UONOGXRCSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@H]2CCC[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000353722837 356279956 /nfs/dbraw/zinc/27/99/56/356279956.db2.gz HGSZPZJIRUVFCJ-MCIONIFRSA-N 2 2 281.400 0.308 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](OC)C2)CC1 ZINC000361374543 138033061 /nfs/dbraw/zinc/03/30/61/138033061.db2.gz XQVSPJCNQYBUQF-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](OC)C2)CC1 ZINC000361374543 138033062 /nfs/dbraw/zinc/03/30/62/138033062.db2.gz XQVSPJCNQYBUQF-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+]CCn2cncn2)CC1 ZINC000360955290 138017407 /nfs/dbraw/zinc/01/74/07/138017407.db2.gz QPCSBEHYXXUTLI-UHFFFAOYSA-N 2 2 295.387 0.285 20 0 CCADLP Cn1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c(C(F)F)n1 ZINC000361136142 138022885 /nfs/dbraw/zinc/02/28/85/138022885.db2.gz MIAMDCXZVLGNRQ-GFCCVEGCSA-N 2 2 274.315 0.514 20 0 CCADLP Cn1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c(C(F)F)n1 ZINC000361136142 138022886 /nfs/dbraw/zinc/02/28/86/138022886.db2.gz MIAMDCXZVLGNRQ-GFCCVEGCSA-N 2 2 274.315 0.514 20 0 CCADLP CCNC(=O)[C@@H]([NH2+]C1CC[NH+](CCOC)CC1)C(C)C ZINC000354069063 356340962 /nfs/dbraw/zinc/34/09/62/356340962.db2.gz WZMUICSFLQPLIU-AWEZNQCLSA-N 2 2 285.432 0.848 20 0 CCADLP C[C@@H]1CC[N@H+](CCNC(=O)[C@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000560177743 291092879 /nfs/dbraw/zinc/09/28/79/291092879.db2.gz VFPLPJIIIQNDHP-OCCSQVGLSA-N 2 2 293.415 0.481 20 0 CCADLP C[C@@H]1CC[N@@H+](CCNC(=O)[C@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000560177743 291092880 /nfs/dbraw/zinc/09/28/80/291092880.db2.gz VFPLPJIIIQNDHP-OCCSQVGLSA-N 2 2 293.415 0.481 20 0 CCADLP COC(=O)C(C)(C)CC[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000354330884 356390592 /nfs/dbraw/zinc/39/05/92/356390592.db2.gz BHIHMGXWNOXKEL-GFCCVEGCSA-N 2 2 299.415 0.505 20 0 CCADLP COC(=O)C(C)(C)CC[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000354330884 356390598 /nfs/dbraw/zinc/39/05/98/356390598.db2.gz BHIHMGXWNOXKEL-GFCCVEGCSA-N 2 2 299.415 0.505 20 0 CCADLP CC(C)(C)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362664684 138068488 /nfs/dbraw/zinc/06/84/88/138068488.db2.gz CEYPIZQIYYQFLS-GFCCVEGCSA-N 2 2 253.390 0.929 20 0 CCADLP CC(C)(C)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362664684 138068489 /nfs/dbraw/zinc/06/84/89/138068489.db2.gz CEYPIZQIYYQFLS-GFCCVEGCSA-N 2 2 253.390 0.929 20 0 CCADLP Cc1nc(NCCC[N@@H+]2CCC[C@H]2C(N)=O)c(C)c(C)[nH+]1 ZINC000354376860 356401867 /nfs/dbraw/zinc/40/18/67/356401867.db2.gz DLNCTCZMKYRIHZ-ZDUSSCGKSA-N 2 2 291.399 0.575 20 0 CCADLP Cc1nc(NCCC[N@H+]2CCC[C@H]2C(N)=O)c(C)c(C)[nH+]1 ZINC000354376860 356401870 /nfs/dbraw/zinc/40/18/70/356401870.db2.gz DLNCTCZMKYRIHZ-ZDUSSCGKSA-N 2 2 291.399 0.575 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)NCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000362683564 138069760 /nfs/dbraw/zinc/06/97/60/138069760.db2.gz LPPHSFFIMNNRQS-AWEZNQCLSA-N 2 2 298.431 0.300 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)NCC[NH+]2CCOCC2)CC[N@H+]1C ZINC000362683564 138069761 /nfs/dbraw/zinc/06/97/61/138069761.db2.gz LPPHSFFIMNNRQS-AWEZNQCLSA-N 2 2 298.431 0.300 20 0 CCADLP Cc1ccc(CCC[NH2+]C[C@H]2CS(=O)(=O)CCO2)c[nH+]1 ZINC000354576095 356442648 /nfs/dbraw/zinc/44/26/48/356442648.db2.gz QHYBAFXHOOVYLE-AWEZNQCLSA-N 2 2 298.408 0.726 20 0 CCADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)N2CCNC2=O)CC1 ZINC000354594212 356447250 /nfs/dbraw/zinc/44/72/50/356447250.db2.gz FHYYYKKNDFNECZ-JTQLQIEISA-N 2 2 268.361 0.001 20 0 CCADLP O=C(NCCNc1cccc[nH+]1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655605537 412630245 /nfs/dbraw/zinc/63/02/45/412630245.db2.gz RSQFOYQTQVJHRD-IUODEOHRSA-N 2 2 274.368 0.999 20 0 CCADLP CC[C@H](O)C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000354905490 356526031 /nfs/dbraw/zinc/52/60/31/356526031.db2.gz AASDPSZYMOJXGM-HNNXBMFYSA-N 2 2 285.432 0.144 20 0 CCADLP CC[C@H](O)C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000354905490 356526037 /nfs/dbraw/zinc/52/60/37/356526037.db2.gz AASDPSZYMOJXGM-HNNXBMFYSA-N 2 2 285.432 0.144 20 0 CCADLP NC(=O)NC(=O)CCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609258494 363480653 /nfs/dbraw/zinc/48/06/53/363480653.db2.gz ZVPUUYRUBHVFAK-LLVKDONJSA-N 2 2 279.344 0.495 20 0 CCADLP NC(=O)NC(=O)CCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609258494 363480654 /nfs/dbraw/zinc/48/06/54/363480654.db2.gz ZVPUUYRUBHVFAK-LLVKDONJSA-N 2 2 279.344 0.495 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NC2CC[NH+](C)CC2)no1 ZINC000355704631 356631274 /nfs/dbraw/zinc/63/12/74/356631274.db2.gz ZZQFCMUYXUMJFB-UHFFFAOYSA-N 2 2 266.345 0.560 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)no1 ZINC000355856643 356660321 /nfs/dbraw/zinc/66/03/21/356660321.db2.gz LQHIXPGLVTZRMR-SNVBAGLBSA-N 2 2 278.356 0.703 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)no1 ZINC000355856643 356660326 /nfs/dbraw/zinc/66/03/26/356660326.db2.gz LQHIXPGLVTZRMR-SNVBAGLBSA-N 2 2 278.356 0.703 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000356132991 356709072 /nfs/dbraw/zinc/70/90/72/356709072.db2.gz PXMCUECRPISRPM-CHWSQXEVSA-N 2 2 295.387 0.292 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000356151641 356712520 /nfs/dbraw/zinc/71/25/20/356712520.db2.gz JRXFQALNDKBMFJ-CYBMUJFWSA-N 2 2 286.420 0.300 20 0 CCADLP C[C@H]1[N@H+](CC(=O)N2CC[NH+](C)CC2)CCOC1(C)C ZINC000357301994 356770849 /nfs/dbraw/zinc/77/08/49/356770849.db2.gz DIYPTAOVDBBXQM-GFCCVEGCSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@H]1[N@@H+](CC(=O)N2CC[NH+](C)CC2)CCOC1(C)C ZINC000357301994 356770853 /nfs/dbraw/zinc/77/08/53/356770853.db2.gz DIYPTAOVDBBXQM-GFCCVEGCSA-N 2 2 269.389 0.260 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359270561 356790437 /nfs/dbraw/zinc/79/04/37/356790437.db2.gz FJCBTRJIPFSCHE-TXEJJXNPSA-N 2 2 260.403 0.351 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359270561 356790439 /nfs/dbraw/zinc/79/04/39/356790439.db2.gz FJCBTRJIPFSCHE-TXEJJXNPSA-N 2 2 260.403 0.351 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359289042 356794869 /nfs/dbraw/zinc/79/48/69/356794869.db2.gz PQWMGGSYAAKUAZ-AVGNSLFASA-N 2 2 269.389 0.069 20 0 CCADLP Cc1ccccc1CCNC(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359292374 356796422 /nfs/dbraw/zinc/79/64/22/356796422.db2.gz UIYUWYUUBFUDAW-HZPDHXFCSA-N 2 2 287.407 0.805 20 0 CCADLP C[C@H]1C[N@H+](C)CCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000359361638 356809196 /nfs/dbraw/zinc/80/91/96/356809196.db2.gz OSQSVDIVHICWLR-JTQLQIEISA-N 2 2 266.345 0.512 20 0 CCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000359361638 356809198 /nfs/dbraw/zinc/80/91/98/356809198.db2.gz OSQSVDIVHICWLR-JTQLQIEISA-N 2 2 266.345 0.512 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000359660230 356866587 /nfs/dbraw/zinc/86/65/87/356866587.db2.gz UJHDCBVZPOFVOG-NXEZZACHSA-N 2 2 265.361 0.516 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000359660230 356866591 /nfs/dbraw/zinc/86/65/91/356866591.db2.gz UJHDCBVZPOFVOG-NXEZZACHSA-N 2 2 265.361 0.516 20 0 CCADLP O=C1NCCCC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655687592 412646057 /nfs/dbraw/zinc/64/60/57/412646057.db2.gz REGKOWCBXAJSIN-UONOGXRCSA-N 2 2 281.400 0.498 20 0 CCADLP Cn1nccc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655688073 412646372 /nfs/dbraw/zinc/64/63/72/412646372.db2.gz IYNCOMBEELHRJE-CQSZACIVSA-N 2 2 264.373 0.763 20 0 CCADLP CC(C)c1cc(NCC[NH+]2CCOCC2)nc(N(C)C)[nH+]1 ZINC000360240484 356975846 /nfs/dbraw/zinc/97/58/46/356975846.db2.gz VHYGRTVJPXYRBQ-UHFFFAOYSA-N 2 2 293.415 0.832 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CS1 ZINC000655701538 412647231 /nfs/dbraw/zinc/64/72/31/412647231.db2.gz GVFFYODRHAFADY-NEPJUHHUSA-N 2 2 271.430 0.634 20 0 CCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000360446585 357013410 /nfs/dbraw/zinc/01/34/10/357013410.db2.gz PTHIBYSUHHIHDA-CYBMUJFWSA-N 2 2 281.400 0.404 20 0 CCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000360446585 357013413 /nfs/dbraw/zinc/01/34/13/357013413.db2.gz PTHIBYSUHHIHDA-CYBMUJFWSA-N 2 2 281.400 0.404 20 0 CCADLP NC(=O)C[N@@H+]1CCCN(c2cc[nH+]c3ccncc32)CC1 ZINC000365269267 357139581 /nfs/dbraw/zinc/13/95/81/357139581.db2.gz SYLSXPJSDPCSQZ-UHFFFAOYSA-N 2 2 285.351 0.627 20 0 CCADLP NC(=O)C[N@H+]1CCCN(c2cc[nH+]c3ccncc32)CC1 ZINC000365269267 357139583 /nfs/dbraw/zinc/13/95/83/357139583.db2.gz SYLSXPJSDPCSQZ-UHFFFAOYSA-N 2 2 285.351 0.627 20 0 CCADLP O=C(NCCc1cn2ccccc2[nH+]1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000364598806 357123895 /nfs/dbraw/zinc/12/38/95/357123895.db2.gz IUDWXYVIJHGRLS-CJNGLKHVSA-N 2 2 284.363 0.993 20 0 CCADLP C[C@H](CO)[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655728865 412651650 /nfs/dbraw/zinc/65/16/50/412651650.db2.gz ZHXDGOVWVWDFHG-DYEKYZERSA-N 2 2 256.390 0.846 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000367845845 357285306 /nfs/dbraw/zinc/28/53/06/357285306.db2.gz JKQHDFVRVWDOJZ-UKRRQHHQSA-N 2 2 283.416 0.555 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000367845845 357285311 /nfs/dbraw/zinc/28/53/11/357285311.db2.gz JKQHDFVRVWDOJZ-UKRRQHHQSA-N 2 2 283.416 0.555 20 0 CCADLP COCCCNC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000367845845 357285314 /nfs/dbraw/zinc/28/53/14/357285314.db2.gz JKQHDFVRVWDOJZ-UKRRQHHQSA-N 2 2 283.416 0.555 20 0 CCADLP COCCCNC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000367845845 357285321 /nfs/dbraw/zinc/28/53/21/357285321.db2.gz JKQHDFVRVWDOJZ-UKRRQHHQSA-N 2 2 283.416 0.555 20 0 CCADLP C[NH+](C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)[C@@H]1CCNC1=O ZINC000372523357 357377883 /nfs/dbraw/zinc/37/78/83/357377883.db2.gz QNGCIJLJUDXWTG-ZNMIVQPWSA-N 2 2 288.395 0.895 20 0 CCADLP C[N@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@@H]1CCNC1=O ZINC000372523357 357377871 /nfs/dbraw/zinc/37/78/71/357377871.db2.gz QNGCIJLJUDXWTG-ZNMIVQPWSA-N 2 2 288.395 0.895 20 0 CCADLP C[N@@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@@H]1CCNC1=O ZINC000372523357 357377875 /nfs/dbraw/zinc/37/78/75/357377875.db2.gz QNGCIJLJUDXWTG-ZNMIVQPWSA-N 2 2 288.395 0.895 20 0 CCADLP C[NH+](C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)[C@@H]1CCNC1=O ZINC000372523357 357377879 /nfs/dbraw/zinc/37/78/79/357377879.db2.gz QNGCIJLJUDXWTG-ZNMIVQPWSA-N 2 2 288.395 0.895 20 0 CCADLP CC[N@H+](CC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)C1CC1 ZINC000376217147 357446578 /nfs/dbraw/zinc/44/65/78/357446578.db2.gz CSFWEEOAILOLEQ-UKRRQHHQSA-N 2 2 295.427 0.792 20 0 CCADLP CC[N@@H+](CC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)C1CC1 ZINC000376217147 357446579 /nfs/dbraw/zinc/44/65/79/357446579.db2.gz CSFWEEOAILOLEQ-UKRRQHHQSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(C)(C)O ZINC000655741352 412655017 /nfs/dbraw/zinc/65/50/17/412655017.db2.gz IETXNFQDMBSUMI-YPMHNXCESA-N 2 2 256.390 0.989 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000376635617 357486606 /nfs/dbraw/zinc/48/66/06/357486606.db2.gz XVENQXKDLHMUCM-ZDUSSCGKSA-N 2 2 296.415 0.197 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000376653595 357488854 /nfs/dbraw/zinc/48/88/54/357488854.db2.gz VMSXQTCWUFTONU-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000376653595 357488859 /nfs/dbraw/zinc/48/88/59/357488859.db2.gz VMSXQTCWUFTONU-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP Cc1n[nH]cc1C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449390195 236031134 /nfs/dbraw/zinc/03/11/34/236031134.db2.gz GERIJOMYIPCKFY-ZDUSSCGKSA-N 2 2 252.362 0.655 20 0 CCADLP Cc1n[nH]cc1C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449390195 236031137 /nfs/dbraw/zinc/03/11/37/236031137.db2.gz GERIJOMYIPCKFY-ZDUSSCGKSA-N 2 2 252.362 0.655 20 0 CCADLP COCCN1CC[C@H]([NH2+][C@@H]2CCC[N@H+](CCCO)C2)C1 ZINC000449397112 236033397 /nfs/dbraw/zinc/03/33/97/236033397.db2.gz ODUNVBNSMAHNFA-CABCVRRESA-N 2 2 285.432 0.144 20 0 CCADLP COCCN1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000449397112 236033399 /nfs/dbraw/zinc/03/33/99/236033399.db2.gz ODUNVBNSMAHNFA-CABCVRRESA-N 2 2 285.432 0.144 20 0 CCADLP CCC[N@H+](C[C@@H]1CCC[NH2+]C1)[C@@H]1CCS(=O)(=O)C1 ZINC000226434723 283280306 /nfs/dbraw/zinc/28/03/06/283280306.db2.gz RUPCXYAMPMZXNK-CHWSQXEVSA-N 2 2 274.430 0.885 20 0 CCADLP CCC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@@H]1CCS(=O)(=O)C1 ZINC000226434723 283280307 /nfs/dbraw/zinc/28/03/07/283280307.db2.gz RUPCXYAMPMZXNK-CHWSQXEVSA-N 2 2 274.430 0.885 20 0 CCADLP Cn1cncc1C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000408153774 357943204 /nfs/dbraw/zinc/94/32/04/357943204.db2.gz LRUFAOUKTFPLHN-UHFFFAOYSA-N 2 2 294.399 0.079 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000294541275 199077935 /nfs/dbraw/zinc/07/79/35/199077935.db2.gz VYWRSDLMJMFDKA-MUBLQREKSA-N 2 2 278.356 0.386 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCCn2cc[nH+]c2C)C1 ZINC000352794486 219636932 /nfs/dbraw/zinc/63/69/32/219636932.db2.gz GORSOVWYBNLWIJ-GFCCVEGCSA-N 2 2 266.345 0.028 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NCCn2cc[nH+]c2C)C1 ZINC000352794486 219636936 /nfs/dbraw/zinc/63/69/36/219636936.db2.gz GORSOVWYBNLWIJ-GFCCVEGCSA-N 2 2 266.345 0.028 20 0 CCADLP CN(C(=O)NC[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000454632108 236303375 /nfs/dbraw/zinc/30/33/75/236303375.db2.gz OPQSXTCCDIQRFQ-MCIONIFRSA-N 2 2 296.415 0.195 20 0 CCADLP CN(C(=O)NC[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000454632108 236303378 /nfs/dbraw/zinc/30/33/78/236303378.db2.gz OPQSXTCCDIQRFQ-MCIONIFRSA-N 2 2 296.415 0.195 20 0 CCADLP CN(C(=O)NC[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000454632108 236303383 /nfs/dbraw/zinc/30/33/83/236303383.db2.gz OPQSXTCCDIQRFQ-MCIONIFRSA-N 2 2 296.415 0.195 20 0 CCADLP CC[C@@H](C(=O)N(C)CC[NH+]1CCOCC1)[NH+](CC)CC ZINC000345808693 535397124 /nfs/dbraw/zinc/39/71/24/535397124.db2.gz RXLAXZGANBULIN-AWEZNQCLSA-N 2 2 285.432 0.897 20 0 CCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N[C@@H](C)C[NH3+] ZINC000416883275 358128327 /nfs/dbraw/zinc/12/83/27/358128327.db2.gz JGWDNJRYPNTEAU-JTQLQIEISA-N 2 2 275.356 0.991 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418382707 358155032 /nfs/dbraw/zinc/15/50/32/358155032.db2.gz YWPPAKQYLAXNLG-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCc2c(nnn2C)C1 ZINC000655830770 412667453 /nfs/dbraw/zinc/66/74/53/412667453.db2.gz WYQUQYRBDCCGBK-GYSYKLTISA-N 2 2 275.400 0.745 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCc2c(nnn2C)C1 ZINC000655830770 412667458 /nfs/dbraw/zinc/66/74/58/412667458.db2.gz WYQUQYRBDCCGBK-GYSYKLTISA-N 2 2 275.400 0.745 20 0 CCADLP C[NH2+]CCC[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420394317 358181868 /nfs/dbraw/zinc/18/18/68/358181868.db2.gz ZQOAMLPOUBZGIY-GJZGRUSLSA-N 3 2 265.401 0.459 20 0 CCADLP C[NH2+]CCC[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420394317 358181870 /nfs/dbraw/zinc/18/18/70/358181870.db2.gz ZQOAMLPOUBZGIY-GJZGRUSLSA-N 3 2 265.401 0.459 20 0 CCADLP C[N@@H+]1CC[C@H]2OCCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC000329188029 202224506 /nfs/dbraw/zinc/22/45/06/202224506.db2.gz PGESUUKBOWXEFP-VXGBXAGGSA-N 2 2 278.356 0.274 20 0 CCADLP C[N@H+]1CC[C@H]2OCCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC000329188029 202224508 /nfs/dbraw/zinc/22/45/08/202224508.db2.gz PGESUUKBOWXEFP-VXGBXAGGSA-N 2 2 278.356 0.274 20 0 CCADLP CNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000422742345 358193282 /nfs/dbraw/zinc/19/32/82/358193282.db2.gz ROFAEEZXTANGKN-FZMZJTMJSA-N 2 2 297.424 0.825 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H](C)CS(C)(=O)=O)C1 ZINC000430611677 358228275 /nfs/dbraw/zinc/22/82/75/358228275.db2.gz OTHVMLUCCIQWFF-NEPJUHHUSA-N 2 2 262.419 0.599 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H](C)CS(C)(=O)=O)C1 ZINC000430611677 358228278 /nfs/dbraw/zinc/22/82/78/358228278.db2.gz OTHVMLUCCIQWFF-NEPJUHHUSA-N 2 2 262.419 0.599 20 0 CCADLP C[C@@H](C(=O)N1CCCC[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000428962420 358222685 /nfs/dbraw/zinc/22/26/85/358222685.db2.gz KCALUUXBFHBCKI-RYUDHWBXSA-N 2 2 255.362 0.047 20 0 CCADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCC(O)CC1 ZINC000453265765 358268891 /nfs/dbraw/zinc/26/88/91/358268891.db2.gz NWQZKIKSQLNUDD-ROKHWSDSSA-N 2 2 256.390 0.726 20 0 CCADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]C1CCC(O)CC1 ZINC000453265765 358268893 /nfs/dbraw/zinc/26/88/93/358268893.db2.gz NWQZKIKSQLNUDD-ROKHWSDSSA-N 2 2 256.390 0.726 20 0 CCADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC000329233768 202246281 /nfs/dbraw/zinc/24/62/81/202246281.db2.gz MFVQUICLSSFSDC-CQSZACIVSA-N 2 2 262.357 0.897 20 0 CCADLP C[N@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC000329233768 202246284 /nfs/dbraw/zinc/24/62/84/202246284.db2.gz MFVQUICLSSFSDC-CQSZACIVSA-N 2 2 262.357 0.897 20 0 CCADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC000329233768 202246287 /nfs/dbraw/zinc/24/62/87/202246287.db2.gz MFVQUICLSSFSDC-CQSZACIVSA-N 2 2 262.357 0.897 20 0 CCADLP C[N@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC000329233768 202246289 /nfs/dbraw/zinc/24/62/89/202246289.db2.gz MFVQUICLSSFSDC-CQSZACIVSA-N 2 2 262.357 0.897 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456212184 358272199 /nfs/dbraw/zinc/27/21/99/358272199.db2.gz GTISLZVRKYBMEV-NMWPEEMBSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456212184 358272201 /nfs/dbraw/zinc/27/22/01/358272201.db2.gz GTISLZVRKYBMEV-NMWPEEMBSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456212184 358272204 /nfs/dbraw/zinc/27/22/04/358272204.db2.gz GTISLZVRKYBMEV-NMWPEEMBSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456212184 358272207 /nfs/dbraw/zinc/27/22/07/358272207.db2.gz GTISLZVRKYBMEV-NMWPEEMBSA-N 2 2 295.427 0.839 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329270984 202261506 /nfs/dbraw/zinc/26/15/06/202261506.db2.gz HVJFFRKGLLFZPR-ZDUSSCGKSA-N 2 2 292.383 0.666 20 0 CCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000423780167 291148897 /nfs/dbraw/zinc/14/88/97/291148897.db2.gz FXXHRDRTUIALJE-WCQYABFASA-N 2 2 299.415 0.456 20 0 CCADLP CN(C)c1ncc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cn1 ZINC000530179717 358372935 /nfs/dbraw/zinc/37/29/35/358372935.db2.gz VQDNVGIJALDCMP-GFCCVEGCSA-N 2 2 261.373 0.917 20 0 CCADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000530222344 358382098 /nfs/dbraw/zinc/38/20/98/358382098.db2.gz IWYKRYDYCGTGRT-UHFFFAOYSA-N 2 2 289.383 0.224 20 0 CCADLP CCn1nncc1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000530211555 358378788 /nfs/dbraw/zinc/37/87/88/358378788.db2.gz OMSMLMDNLHIEBY-OLZOCXBDSA-N 2 2 265.361 0.155 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@]2(C)CCC[NH2+]2)C[C@H]1C ZINC000567736077 358579988 /nfs/dbraw/zinc/57/99/88/358579988.db2.gz GPHDIACRWYPRHR-DOMZBBRYSA-N 2 2 297.399 0.224 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@]2(C)CCC[NH2+]2)C[C@H]1C ZINC000567736077 358579989 /nfs/dbraw/zinc/57/99/89/358579989.db2.gz GPHDIACRWYPRHR-DOMZBBRYSA-N 2 2 297.399 0.224 20 0 CCADLP COC(=O)CC1([NH2+]Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000568036381 358627799 /nfs/dbraw/zinc/62/77/99/358627799.db2.gz DLAFKBURGAKWLH-UHFFFAOYSA-N 2 2 266.345 0.671 20 0 CCADLP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000567802380 358588920 /nfs/dbraw/zinc/58/89/20/358588920.db2.gz VMMRLLHJPQWWCQ-HIFRSBDPSA-N 2 2 290.411 0.357 20 0 CCADLP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000567802380 358588923 /nfs/dbraw/zinc/58/89/23/358588923.db2.gz VMMRLLHJPQWWCQ-HIFRSBDPSA-N 2 2 290.411 0.357 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCc2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000567830133 358596104 /nfs/dbraw/zinc/59/61/04/358596104.db2.gz QXAZSAPSKGDRIR-CQSZACIVSA-N 2 2 279.359 0.860 20 0 CCADLP C[N@H+]1CCN(C(=O)CCc2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000567830133 358596108 /nfs/dbraw/zinc/59/61/08/358596108.db2.gz QXAZSAPSKGDRIR-CQSZACIVSA-N 2 2 279.359 0.860 20 0 CCADLP COc1cccc(CCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000568760434 358702387 /nfs/dbraw/zinc/70/23/87/358702387.db2.gz IWDSTBQLUPAMBQ-CQSZACIVSA-N 2 2 291.395 0.729 20 0 CCADLP COc1cccc(CCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000568760434 358702391 /nfs/dbraw/zinc/70/23/91/358702391.db2.gz IWDSTBQLUPAMBQ-CQSZACIVSA-N 2 2 291.395 0.729 20 0 CCADLP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC000568501673 358679458 /nfs/dbraw/zinc/67/94/58/358679458.db2.gz WMVCDZZPNJJPFX-OWCLPIDISA-N 3 2 298.475 0.057 20 0 CCADLP Nc1ccc(NC(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)c[nH+]1 ZINC000568630724 358691849 /nfs/dbraw/zinc/69/18/49/358691849.db2.gz QMHNVMYAAHCUNZ-MRVPVSSYSA-N 2 2 272.312 0.546 20 0 CCADLP COC(=O)[C@@H]([NH2+]CCCc1c[nH+]cn1C)C1CC1 ZINC000569468517 358766706 /nfs/dbraw/zinc/76/67/06/358766706.db2.gz DVBIYVBLWRFZFD-LBPRGKRZSA-N 2 2 251.330 0.894 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2CC[C@H](c3nnc[nH]3)C2)n1C ZINC000568978040 358721048 /nfs/dbraw/zinc/72/10/48/358721048.db2.gz VMDGQOIZEHHQMT-JTQLQIEISA-N 2 2 275.360 0.594 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2CC[C@H](c3nnc[nH]3)C2)n1C ZINC000568978040 358721051 /nfs/dbraw/zinc/72/10/51/358721051.db2.gz VMDGQOIZEHHQMT-JTQLQIEISA-N 2 2 275.360 0.594 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000570444018 358857469 /nfs/dbraw/zinc/85/74/69/358857469.db2.gz IXZKZLDIJQPVNJ-OSRDXIQISA-N 2 2 286.416 0.471 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000570444018 358857473 /nfs/dbraw/zinc/85/74/73/358857473.db2.gz IXZKZLDIJQPVNJ-OSRDXIQISA-N 2 2 286.416 0.471 20 0 CCADLP CS[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH+]1CCCC1 ZINC000571135359 358914214 /nfs/dbraw/zinc/91/42/14/358914214.db2.gz SGXALQVBWJAIMA-STQMWFEESA-N 2 2 294.424 0.921 20 0 CCADLP C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000570681245 358883892 /nfs/dbraw/zinc/88/38/92/358883892.db2.gz KCTOHBFMOLYTGS-LLVKDONJSA-N 2 2 286.339 0.486 20 0 CCADLP C[C@@H](CC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)n1cc[nH+]c1 ZINC000570689751 358884925 /nfs/dbraw/zinc/88/49/25/358884925.db2.gz UJPRFXWYMVHTAX-MELADBBJSA-N 2 2 294.399 0.748 20 0 CCADLP C[C@@H](CC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)n1cc[nH+]c1 ZINC000570689751 358884928 /nfs/dbraw/zinc/88/49/28/358884928.db2.gz UJPRFXWYMVHTAX-MELADBBJSA-N 2 2 294.399 0.748 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000570694995 358885335 /nfs/dbraw/zinc/88/53/35/358885335.db2.gz VMFBJBLNJDZRJL-GJZGRUSLSA-N 2 2 295.427 0.651 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000570694995 358885339 /nfs/dbraw/zinc/88/53/39/358885339.db2.gz VMFBJBLNJDZRJL-GJZGRUSLSA-N 2 2 295.427 0.651 20 0 CCADLP CC(=O)c1ccc(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000573562740 358978650 /nfs/dbraw/zinc/97/86/50/358978650.db2.gz YDIFOKCHLBSYAW-HNNXBMFYSA-N 2 2 289.379 0.533 20 0 CCADLP CC(=O)c1ccc(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000573562740 358978657 /nfs/dbraw/zinc/97/86/57/358978657.db2.gz YDIFOKCHLBSYAW-HNNXBMFYSA-N 2 2 289.379 0.533 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](CNc2cc(NC[C@H](C)O)[nH+]cn2)C1 ZINC000573456894 358969763 /nfs/dbraw/zinc/96/97/63/358969763.db2.gz SVZKZSFYVCKTEY-QWHCGFSZSA-N 2 2 293.415 0.833 20 0 CCADLP CC(C)[N@H+]1CC[C@H](CNc2cc(NC[C@H](C)O)[nH+]cn2)C1 ZINC000573456894 358969769 /nfs/dbraw/zinc/96/97/69/358969769.db2.gz SVZKZSFYVCKTEY-QWHCGFSZSA-N 2 2 293.415 0.833 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](CNc2cc(NC[C@H](C)O)nc[nH+]2)C1 ZINC000573456894 358969774 /nfs/dbraw/zinc/96/97/74/358969774.db2.gz SVZKZSFYVCKTEY-QWHCGFSZSA-N 2 2 293.415 0.833 20 0 CCADLP CC(C)[N@H+]1CC[C@H](CNc2cc(NC[C@H](C)O)nc[nH+]2)C1 ZINC000573456894 358969780 /nfs/dbraw/zinc/96/97/80/358969780.db2.gz SVZKZSFYVCKTEY-QWHCGFSZSA-N 2 2 293.415 0.833 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](CNc2cc(NC[C@@H](C)O)[nH+]cn2)C1 ZINC000573456890 358970084 /nfs/dbraw/zinc/97/00/84/358970084.db2.gz SVZKZSFYVCKTEY-CHWSQXEVSA-N 2 2 293.415 0.833 20 0 CCADLP CC(C)[N@H+]1CC[C@H](CNc2cc(NC[C@@H](C)O)[nH+]cn2)C1 ZINC000573456890 358970087 /nfs/dbraw/zinc/97/00/87/358970087.db2.gz SVZKZSFYVCKTEY-CHWSQXEVSA-N 2 2 293.415 0.833 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](CNc2cc(NC[C@@H](C)O)nc[nH+]2)C1 ZINC000573456890 358970089 /nfs/dbraw/zinc/97/00/89/358970089.db2.gz SVZKZSFYVCKTEY-CHWSQXEVSA-N 2 2 293.415 0.833 20 0 CCADLP CC(C)[N@H+]1CC[C@H](CNc2cc(NC[C@@H](C)O)nc[nH+]2)C1 ZINC000573456890 358970092 /nfs/dbraw/zinc/97/00/92/358970092.db2.gz SVZKZSFYVCKTEY-CHWSQXEVSA-N 2 2 293.415 0.833 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)NC(=O)CCc1c[nH+]c[nH]1 ZINC000573136205 358941601 /nfs/dbraw/zinc/94/16/01/358941601.db2.gz RGAVTMDLJWUSDS-ZDUSSCGKSA-N 2 2 282.388 0.551 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)NC(=O)CCc1c[nH]c[nH+]1 ZINC000573136205 358941603 /nfs/dbraw/zinc/94/16/03/358941603.db2.gz RGAVTMDLJWUSDS-ZDUSSCGKSA-N 2 2 282.388 0.551 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC12CCC2 ZINC000574050693 359023650 /nfs/dbraw/zinc/02/36/50/359023650.db2.gz JVJZASKEMXATEH-ZDUSSCGKSA-N 2 2 256.390 0.944 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC12CCC2 ZINC000574050693 359023656 /nfs/dbraw/zinc/02/36/56/359023656.db2.gz JVJZASKEMXATEH-ZDUSSCGKSA-N 2 2 256.390 0.944 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC12CCC2 ZINC000574050693 359023660 /nfs/dbraw/zinc/02/36/60/359023660.db2.gz JVJZASKEMXATEH-ZDUSSCGKSA-N 2 2 256.390 0.944 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC12CCC2 ZINC000574050693 359023662 /nfs/dbraw/zinc/02/36/62/359023662.db2.gz JVJZASKEMXATEH-ZDUSSCGKSA-N 2 2 256.390 0.944 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@@H](O)COc1ccccc1F ZINC000574159005 359033277 /nfs/dbraw/zinc/03/32/77/359033277.db2.gz ZACCSOILILBWQK-VXGBXAGGSA-N 2 2 286.347 0.078 20 0 CCADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@@H](O)COc1ccccc1F ZINC000574159003 359033467 /nfs/dbraw/zinc/03/34/67/359033467.db2.gz ZACCSOILILBWQK-NWDGAFQWSA-N 2 2 286.347 0.078 20 0 CCADLP CN(C(=O)C[NH+]1CC(C)(C)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000573624565 358985793 /nfs/dbraw/zinc/98/57/93/358985793.db2.gz ZFELYIITMSFVPZ-CYBMUJFWSA-N 2 2 265.401 0.881 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@H]2CCSC2)C[C@H](C)O1 ZINC000573677247 358989686 /nfs/dbraw/zinc/98/96/86/358989686.db2.gz VHDSBISEFMZMIH-XJFOESAGSA-N 2 2 288.457 0.799 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@H]2CCSC2)C[C@H](C)O1 ZINC000573677247 358989690 /nfs/dbraw/zinc/98/96/90/358989690.db2.gz VHDSBISEFMZMIH-XJFOESAGSA-N 2 2 288.457 0.799 20 0 CCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000562788952 291167578 /nfs/dbraw/zinc/16/75/78/291167578.db2.gz COEHVUUHYWNYJR-ZIAGYGMSSA-N 3 2 297.447 0.145 20 0 CCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000562788952 291167580 /nfs/dbraw/zinc/16/75/80/291167580.db2.gz COEHVUUHYWNYJR-ZIAGYGMSSA-N 3 2 297.447 0.145 20 0 CCADLP CC(C)[C@@H](NC(=O)C[C@@H]1COCC[NH2+]1)c1[nH]cc[nH+]1 ZINC000573962693 359015736 /nfs/dbraw/zinc/01/57/36/359015736.db2.gz HUMIBOVKPATRTE-ZYHUDNBSSA-N 2 2 266.345 0.602 20 0 CCADLP CC(C)(CNC(=O)NCC[C@@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000562794309 291167801 /nfs/dbraw/zinc/16/78/01/291167801.db2.gz IXRJNECCDXRICO-ZDUSSCGKSA-N 2 2 298.431 0.396 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1[C@H](C)CC(O)C[C@H]1C ZINC000581019848 359121733 /nfs/dbraw/zinc/12/17/33/359121733.db2.gz NYEXCZWIGQRMDV-BZPMIXESSA-N 2 2 274.405 0.159 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1[C@H](C)CC(O)C[C@H]1C ZINC000581019848 359121738 /nfs/dbraw/zinc/12/17/38/359121738.db2.gz NYEXCZWIGQRMDV-BZPMIXESSA-N 2 2 274.405 0.159 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]([NH3+])c2cscn2)C[C@@]1(C)C[NH3+] ZINC000582419978 359145937 /nfs/dbraw/zinc/14/59/37/359145937.db2.gz UONKEDBPXFQXSQ-HLUHBDAQSA-N 2 2 268.386 0.586 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]C[C@H](O)CC1CCCC1 ZINC000584839758 359215028 /nfs/dbraw/zinc/21/50/28/359215028.db2.gz SOHMDQHLASIUQT-CQSZACIVSA-N 2 2 258.406 0.831 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]C[C@H](O)CC1CCCC1 ZINC000584839758 359215036 /nfs/dbraw/zinc/21/50/36/359215036.db2.gz SOHMDQHLASIUQT-CQSZACIVSA-N 2 2 258.406 0.831 20 0 CCADLP C[NH+](C)CCn1ccc(=NC(=O)CCCn2cc[nH+]c2)[nH]1 ZINC000588036569 359309287 /nfs/dbraw/zinc/30/92/87/359309287.db2.gz CYDPHVWJWFIBIF-UHFFFAOYSA-N 2 2 290.371 0.482 20 0 CCADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H](C)O ZINC000562986901 291178748 /nfs/dbraw/zinc/17/87/48/291178748.db2.gz KVHSMVOVWUKTIZ-CABCVRRESA-N 3 2 292.427 0.953 20 0 CCADLP CC[C@](C)(C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)OC ZINC000562999123 291180213 /nfs/dbraw/zinc/18/02/13/291180213.db2.gz XKNVXTASEXDXSQ-LXTVHRRPSA-N 2 2 288.432 0.861 20 0 CCADLP CC[C@](C)(C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)OC ZINC000562999123 291180215 /nfs/dbraw/zinc/18/02/15/291180215.db2.gz XKNVXTASEXDXSQ-LXTVHRRPSA-N 2 2 288.432 0.861 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000591571595 359599714 /nfs/dbraw/zinc/59/97/14/359599714.db2.gz QSCRLLMUFXHQFU-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000591571595 359599718 /nfs/dbraw/zinc/59/97/18/359599718.db2.gz QSCRLLMUFXHQFU-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000591571595 359599722 /nfs/dbraw/zinc/59/97/22/359599722.db2.gz QSCRLLMUFXHQFU-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000591571595 359599727 /nfs/dbraw/zinc/59/97/27/359599727.db2.gz QSCRLLMUFXHQFU-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP O=C(NCCNc1cccc[nH+]1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000563065367 291187448 /nfs/dbraw/zinc/18/74/48/291187448.db2.gz NHAFSOHWMPODNH-RISCZKNCSA-N 2 2 260.341 0.609 20 0 CCADLP CN(C)C(=O)CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591867330 359666940 /nfs/dbraw/zinc/66/69/40/359666940.db2.gz OVOPXKVHXQEVQS-GFCCVEGCSA-N 2 2 250.346 0.998 20 0 CCADLP CN(C)C(=O)CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591867330 359666945 /nfs/dbraw/zinc/66/69/45/359666945.db2.gz OVOPXKVHXQEVQS-GFCCVEGCSA-N 2 2 250.346 0.998 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000563093491 291191284 /nfs/dbraw/zinc/19/12/84/291191284.db2.gz SHCBSEFJAYBRTH-AXFHLTTASA-N 2 2 253.350 0.697 20 0 CCADLP C[NH2+]CCN(C)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000563108982 291194187 /nfs/dbraw/zinc/19/41/87/291194187.db2.gz CBEGKEKYZYMGSY-UHFFFAOYSA-N 2 2 259.313 0.559 20 0 CCADLP C[C@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)[NH+]1CCN(C)CC1 ZINC000563163020 291201968 /nfs/dbraw/zinc/20/19/68/291201968.db2.gz KACFAHMAEHZMMA-KFWWJZLASA-N 2 2 294.443 0.080 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1c[nH]c2nccnc12 ZINC000329561372 202385856 /nfs/dbraw/zinc/38/58/56/202385856.db2.gz JDVOBSVEKRWNGR-GFCCVEGCSA-N 2 2 274.372 0.245 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[NH2+]1 ZINC000621152791 366654722 /nfs/dbraw/zinc/65/47/22/366654722.db2.gz DUPAFCZVBJNMFX-LBPRGKRZSA-N 2 2 250.346 0.730 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000621155326 366656432 /nfs/dbraw/zinc/65/64/32/366656432.db2.gz CXQNUWPAXQYFML-OLZOCXBDSA-N 2 2 269.389 0.164 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000621155326 366656434 /nfs/dbraw/zinc/65/64/34/366656434.db2.gz CXQNUWPAXQYFML-OLZOCXBDSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H](Cn1cccn1)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000347357536 296008294 /nfs/dbraw/zinc/00/82/94/296008294.db2.gz MKDZPGDMYYCPJI-QWHCGFSZSA-N 2 2 279.388 0.201 20 0 CCADLP C[C@@H](Cn1cccn1)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000347357536 296008296 /nfs/dbraw/zinc/00/82/96/296008296.db2.gz MKDZPGDMYYCPJI-QWHCGFSZSA-N 2 2 279.388 0.201 20 0 CCADLP COC(=O)C[C@H]([NH3+])C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000592956955 359996200 /nfs/dbraw/zinc/99/62/00/359996200.db2.gz JZJGCWYZMQYJPY-ZDUSSCGKSA-N 2 2 291.351 0.009 20 0 CCADLP CCO[C@@H]1C[N@H+](Cc2ccc(C(=O)OC)[nH]2)C[C@H]1C[NH3+] ZINC000593317778 360064698 /nfs/dbraw/zinc/06/46/98/360064698.db2.gz XRSXCIRUOZQXNL-ZWNOBZJWSA-N 2 2 281.356 0.597 20 0 CCADLP CCO[C@@H]1C[N@@H+](Cc2ccc(C(=O)OC)[nH]2)C[C@H]1C[NH3+] ZINC000593317778 360064704 /nfs/dbraw/zinc/06/47/04/360064704.db2.gz XRSXCIRUOZQXNL-ZWNOBZJWSA-N 2 2 281.356 0.597 20 0 CCADLP C[C@@H](O)CNc1cc(NCC[NH+]2CCCC2)nc[nH+]1 ZINC000298195798 200357323 /nfs/dbraw/zinc/35/73/23/200357323.db2.gz HWCOPFMIVOXQEH-LLVKDONJSA-N 2 2 265.361 0.777 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](CO)CCF)CC1 ZINC000593687378 360135070 /nfs/dbraw/zinc/13/50/70/360135070.db2.gz SHAYOBVERDJMFP-ZDUSSCGKSA-N 2 2 290.379 0.714 20 0 CCADLP COC(=O)C1(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)CCCCC1 ZINC000593901989 360201188 /nfs/dbraw/zinc/20/11/88/360201188.db2.gz MEJCGPFCFKEZGK-NSHDSACASA-N 2 2 285.388 0.258 20 0 CCADLP C[C@H](C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)[NH+]1CC(C)C1 ZINC000563397936 291223027 /nfs/dbraw/zinc/22/30/27/291223027.db2.gz NGIHPKFTPMWZRB-RRFJBIMHSA-N 2 2 295.427 0.648 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000594942871 360422753 /nfs/dbraw/zinc/42/27/53/360422753.db2.gz CTFSHGNELPXACE-IGQOVBAYSA-N 2 2 284.400 0.620 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000594942871 360422756 /nfs/dbraw/zinc/42/27/56/360422756.db2.gz CTFSHGNELPXACE-IGQOVBAYSA-N 2 2 284.400 0.620 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C[NH2+]C(C)C)[C@H](C)C1 ZINC000595249711 360457245 /nfs/dbraw/zinc/45/72/45/360457245.db2.gz IMDSGRZKDIVZCA-GFCCVEGCSA-N 2 2 285.388 0.080 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)C[NH2+]C(C)C)[C@H](C)C1 ZINC000595249711 360457250 /nfs/dbraw/zinc/45/72/50/360457250.db2.gz IMDSGRZKDIVZCA-GFCCVEGCSA-N 2 2 285.388 0.080 20 0 CCADLP [NH3+][C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000333462985 283560354 /nfs/dbraw/zinc/56/03/54/283560354.db2.gz GVTHPHQYPRISND-QJPTWQEYSA-N 2 2 277.372 0.767 20 0 CCADLP C[C@@H]([NH3+])CCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000422792499 296019364 /nfs/dbraw/zinc/01/93/64/296019364.db2.gz ZINZLYFKKBGMKR-YPMHNXCESA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]([NH3+])CCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000422792499 296019365 /nfs/dbraw/zinc/01/93/65/296019365.db2.gz ZINZLYFKKBGMKR-YPMHNXCESA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cnccn1 ZINC000178670918 189135974 /nfs/dbraw/zinc/13/59/74/189135974.db2.gz XEBMMJCQVUAAAW-LBPRGKRZSA-N 2 2 277.372 0.291 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC000178729122 189141139 /nfs/dbraw/zinc/14/11/39/189141139.db2.gz WMIRDTKQTUZRCA-AWEZNQCLSA-N 2 2 291.399 0.122 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC000178729122 189141140 /nfs/dbraw/zinc/14/11/40/189141140.db2.gz WMIRDTKQTUZRCA-AWEZNQCLSA-N 2 2 291.399 0.122 20 0 CCADLP C[C@H]([NH3+])C1CC[NH+](Cc2nnn(C(C)(C)C)n2)CC1 ZINC000655936272 412706856 /nfs/dbraw/zinc/70/68/56/412706856.db2.gz COVGHWFSYLRBBT-JTQLQIEISA-N 2 2 266.393 0.987 20 0 CCADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)NC1C[NH2+]C1 ZINC000563590269 291239489 /nfs/dbraw/zinc/23/94/89/291239489.db2.gz DDXOTXFGFZYNSB-UHFFFAOYSA-N 2 2 271.324 0.643 20 0 CCADLP CS(=O)(=O)NCCC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000179416817 189193134 /nfs/dbraw/zinc/19/31/34/189193134.db2.gz GHGXWMNZKHTJHE-UHFFFAOYSA-N 2 2 282.369 0.363 20 0 CCADLP COC[C@@](C)(CC(=O)OC)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000597083218 361006325 /nfs/dbraw/zinc/00/63/25/361006325.db2.gz QENVGBDKVSSAIC-CQSZACIVSA-N 2 2 281.356 0.887 20 0 CCADLP COC(=O)c1oc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1C ZINC000597049089 361000956 /nfs/dbraw/zinc/00/09/56/361000956.db2.gz KYZLHIARPZAEDG-LBPRGKRZSA-N 2 2 296.367 0.921 20 0 CCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(Cc2c[nH+]c[nH]2)CC1 ZINC000180008097 189232263 /nfs/dbraw/zinc/23/22/63/189232263.db2.gz CXKWNUGNGNHGDR-UHFFFAOYSA-N 2 2 293.415 0.786 20 0 CCADLP CCN(CC)C(=O)C[N@H+]1CCCN(Cc2c[nH+]c[nH]2)CC1 ZINC000180008097 189232264 /nfs/dbraw/zinc/23/22/64/189232264.db2.gz CXKWNUGNGNHGDR-UHFFFAOYSA-N 2 2 293.415 0.786 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CCS(=O)(=O)NC)C[C@H]1C ZINC000621261343 366687280 /nfs/dbraw/zinc/68/72/80/366687280.db2.gz MVDBSLCHRKYNPV-VXGBXAGGSA-N 2 2 277.434 0.340 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CCS(=O)(=O)NC)C[C@H]1C ZINC000621261343 366687285 /nfs/dbraw/zinc/68/72/85/366687285.db2.gz MVDBSLCHRKYNPV-VXGBXAGGSA-N 2 2 277.434 0.340 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CCS(=O)(=O)NC)C[C@H]1C ZINC000621261343 366687292 /nfs/dbraw/zinc/68/72/92/366687292.db2.gz MVDBSLCHRKYNPV-VXGBXAGGSA-N 2 2 277.434 0.340 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CCS(=O)(=O)NC)C[C@H]1C ZINC000621261343 366687296 /nfs/dbraw/zinc/68/72/96/366687296.db2.gz MVDBSLCHRKYNPV-VXGBXAGGSA-N 2 2 277.434 0.340 20 0 CCADLP O=C(NC[C@H]1C[NH2+]CCCO1)c1ccc2[nH+]ccn2c1 ZINC000563886408 291256263 /nfs/dbraw/zinc/25/62/63/291256263.db2.gz XKJUITWVTVOZDO-GFCCVEGCSA-N 2 2 274.324 0.443 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CSC1CC1 ZINC000597992069 361300661 /nfs/dbraw/zinc/30/06/61/361300661.db2.gz JEBAJOMPSHHTJZ-UHFFFAOYSA-N 2 2 273.446 0.882 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CSC1CC1 ZINC000597992069 361300667 /nfs/dbraw/zinc/30/06/67/361300667.db2.gz JEBAJOMPSHHTJZ-UHFFFAOYSA-N 2 2 273.446 0.882 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000563992226 291262659 /nfs/dbraw/zinc/26/26/59/291262659.db2.gz DGQBBWMNIHXXKE-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000563992226 291262662 /nfs/dbraw/zinc/26/26/62/291262662.db2.gz DGQBBWMNIHXXKE-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@H]([NH2+]Cc1cc(=O)n2ccccc2n1)[C@H]1CCC[NH2+]1 ZINC000564088378 291265860 /nfs/dbraw/zinc/26/58/60/291265860.db2.gz ALPYCTLRTKANMJ-WCQYABFASA-N 2 2 272.352 0.925 20 0 CCADLP CCN(CC(F)(F)F)C(=O)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000631828355 370695126 /nfs/dbraw/zinc/69/51/26/370695126.db2.gz MUNNJWUHOFREEK-UHFFFAOYSA-N 2 2 297.321 0.183 20 0 CCADLP C[C@@H](NC(=O)[C@H](C)[N@H+](C)C[C@@H](O)C[NH3+])c1ccccc1 ZINC000631827908 370694237 /nfs/dbraw/zinc/69/42/37/370694237.db2.gz YZSLLFFVRKGMFL-DYEKYZERSA-N 2 2 279.384 0.504 20 0 CCADLP C[C@@H](NC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])c1ccccc1 ZINC000631827908 370694241 /nfs/dbraw/zinc/69/42/41/370694241.db2.gz YZSLLFFVRKGMFL-DYEKYZERSA-N 2 2 279.384 0.504 20 0 CCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccccn1 ZINC000631822387 370686988 /nfs/dbraw/zinc/68/69/88/370686988.db2.gz AVMFZQYRDJYDCT-CYBMUJFWSA-N 2 2 250.346 0.983 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000631823275 370688180 /nfs/dbraw/zinc/68/81/80/370688180.db2.gz AGXQDVXQLBMDPM-KGLIPLIRSA-N 2 2 281.400 0.452 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000631823275 370688191 /nfs/dbraw/zinc/68/81/91/370688191.db2.gz AGXQDVXQLBMDPM-KGLIPLIRSA-N 2 2 281.400 0.452 20 0 CCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000182397939 189322113 /nfs/dbraw/zinc/32/21/13/189322113.db2.gz JSIWQJZBYNFASY-AAEUAGOBSA-N 2 2 285.388 0.066 20 0 CCADLP CC[N@H+](C)C[C@H](O)CN1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000564220034 291270907 /nfs/dbraw/zinc/27/09/07/291270907.db2.gz GBORZKIXGKRKJK-HNNXBMFYSA-N 2 2 292.427 0.825 20 0 CCADLP CC[N@@H+](C)C[C@H](O)CN1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000564220034 291270908 /nfs/dbraw/zinc/27/09/08/291270908.db2.gz GBORZKIXGKRKJK-HNNXBMFYSA-N 2 2 292.427 0.825 20 0 CCADLP CC(C)[C@@H]1C(=O)NCC[N@H+]1CCCn1cc[nH+]c1 ZINC000183177085 189349220 /nfs/dbraw/zinc/34/92/20/189349220.db2.gz UOWVTDAFXRDDCZ-GFCCVEGCSA-N 2 2 250.346 0.730 20 0 CCADLP CC(C)[C@@H]1C(=O)NCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000183177085 189349221 /nfs/dbraw/zinc/34/92/21/189349221.db2.gz UOWVTDAFXRDDCZ-GFCCVEGCSA-N 2 2 250.346 0.730 20 0 CCADLP CNC(=O)C[NH+]1CCC(Nc2nc(N(C)C)cc[nH+]2)CC1 ZINC000301709963 201152551 /nfs/dbraw/zinc/15/25/51/201152551.db2.gz DDLNPFCMKKHGDJ-UHFFFAOYSA-N 2 2 292.387 0.165 20 0 CCADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000599092453 361571801 /nfs/dbraw/zinc/57/18/01/361571801.db2.gz HPGSRALUJBNPQZ-RYUDHWBXSA-N 2 2 272.389 0.763 20 0 CCADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000599092453 361571807 /nfs/dbraw/zinc/57/18/07/361571807.db2.gz HPGSRALUJBNPQZ-RYUDHWBXSA-N 2 2 272.389 0.763 20 0 CCADLP COC(=O)Cn1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)nn1 ZINC000598994362 361547421 /nfs/dbraw/zinc/54/74/21/361547421.db2.gz KZNOOJOYRZVRJU-GFCCVEGCSA-N 2 2 295.387 0.273 20 0 CCADLP COC(=O)Cn1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)nn1 ZINC000598994362 361547426 /nfs/dbraw/zinc/54/74/26/361547426.db2.gz KZNOOJOYRZVRJU-GFCCVEGCSA-N 2 2 295.387 0.273 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)c[nH]1 ZINC000599013223 361555952 /nfs/dbraw/zinc/55/59/52/361555952.db2.gz FPUHHCXQFWJRFG-NSHDSACASA-N 2 2 251.330 0.985 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@@H]2CCC[N@H+]2C)c[nH]1 ZINC000599013223 361555955 /nfs/dbraw/zinc/55/59/55/361555955.db2.gz FPUHHCXQFWJRFG-NSHDSACASA-N 2 2 251.330 0.985 20 0 CCADLP CC[N@H+](C)CCNc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000301925747 201265475 /nfs/dbraw/zinc/26/54/75/201265475.db2.gz IUBQHJXJAXZBFB-LBPRGKRZSA-N 2 2 279.388 0.801 20 0 CCADLP CC[N@@H+](C)CCNc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000301925747 201265478 /nfs/dbraw/zinc/26/54/78/201265478.db2.gz IUBQHJXJAXZBFB-LBPRGKRZSA-N 2 2 279.388 0.801 20 0 CCADLP CCOC(=O)C[C@@H](O)C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000599325051 361652769 /nfs/dbraw/zinc/65/27/69/361652769.db2.gz DSVGQQRSQJQJMM-CYBMUJFWSA-N 2 2 272.389 0.763 20 0 CCADLP COCc1noc([C@H](C)[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000564656735 291291457 /nfs/dbraw/zinc/29/14/57/291291457.db2.gz DTKVUCZCHFZWMA-KXUCPTDWSA-N 2 2 254.334 0.946 20 0 CCADLP COCc1noc([C@H](C)[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000564656735 291291458 /nfs/dbraw/zinc/29/14/58/291291458.db2.gz DTKVUCZCHFZWMA-KXUCPTDWSA-N 2 2 254.334 0.946 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000631839295 370703975 /nfs/dbraw/zinc/70/39/75/370703975.db2.gz DDCGOICRQYRZFI-NXEZZACHSA-N 2 2 250.346 0.771 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000631839295 370703981 /nfs/dbraw/zinc/70/39/81/370703981.db2.gz DDCGOICRQYRZFI-NXEZZACHSA-N 2 2 250.346 0.771 20 0 CCADLP COC(=O)CCCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000613142578 364126155 /nfs/dbraw/zinc/12/61/55/364126155.db2.gz QBJGGADZJZPDCE-UHFFFAOYSA-N 2 2 299.415 0.472 20 0 CCADLP C[C@@H]1C[N@H+](Cc2cc(=O)n3ccsc3n2)C[C@H]1C[NH3+] ZINC000631843546 370710540 /nfs/dbraw/zinc/71/05/40/370710540.db2.gz PEBZXXFSCOKKTP-NXEZZACHSA-N 2 2 278.381 0.783 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2cc(=O)n3ccsc3n2)C[C@H]1C[NH3+] ZINC000631843546 370710543 /nfs/dbraw/zinc/71/05/43/370710543.db2.gz PEBZXXFSCOKKTP-NXEZZACHSA-N 2 2 278.381 0.783 20 0 CCADLP CC(C)N(C)C(=O)[C@H](C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631864207 370724878 /nfs/dbraw/zinc/72/48/78/370724878.db2.gz JNPUUKUCPACHRW-LBPRGKRZSA-N 2 2 271.405 0.288 20 0 CCADLP NC(=O)c1ccc(C[NH+]2CCC([NH2+]CCO)CC2)cc1 ZINC000631863999 370724946 /nfs/dbraw/zinc/72/49/46/370724946.db2.gz JIDIGNLRHIECEJ-UHFFFAOYSA-N 2 2 277.368 0.332 20 0 CCADLP C[C@@H]1CN(CC[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)CCO1 ZINC000631867169 370727107 /nfs/dbraw/zinc/72/71/07/370727107.db2.gz LVFGXVMLXYZPNL-MCIONIFRSA-N 2 2 253.390 0.439 20 0 CCADLP CC(C)[C@@H](C)NC(=O)C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631869817 370729480 /nfs/dbraw/zinc/72/94/80/370729480.db2.gz VZFJPYJVHNKADQ-BZPMIXESSA-N 2 2 253.390 0.879 20 0 CCADLP Cc1cc(NC(=O)CC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)no1 ZINC000631887516 370737787 /nfs/dbraw/zinc/73/77/87/370737787.db2.gz SKSZKNXIVULHHZ-STQMWFEESA-N 2 2 292.383 0.807 20 0 CCADLP Cc1cc(NC(=O)CC[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)no1 ZINC000631887516 370737792 /nfs/dbraw/zinc/73/77/92/370737792.db2.gz SKSZKNXIVULHHZ-STQMWFEESA-N 2 2 292.383 0.807 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)NC[C@H]1CCCO1 ZINC000631889546 370739879 /nfs/dbraw/zinc/73/98/79/370739879.db2.gz GZSXYTBEPOCCMS-MGPQQGTHSA-N 2 2 281.400 0.356 20 0 CCADLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)NC[C@H]1CCCO1 ZINC000631889546 370739887 /nfs/dbraw/zinc/73/98/87/370739887.db2.gz GZSXYTBEPOCCMS-MGPQQGTHSA-N 2 2 281.400 0.356 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000613662571 364330558 /nfs/dbraw/zinc/33/05/58/364330558.db2.gz BLZIJKGBRVZPPQ-VXGBXAGGSA-N 2 2 250.346 0.941 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000613662571 364330560 /nfs/dbraw/zinc/33/05/60/364330560.db2.gz BLZIJKGBRVZPPQ-VXGBXAGGSA-N 2 2 250.346 0.941 20 0 CCADLP C[NH+](C)C1(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)CC1 ZINC000614025114 364463036 /nfs/dbraw/zinc/46/30/36/364463036.db2.gz DPLCVHZIDUBBSI-UHFFFAOYSA-N 2 2 263.345 0.153 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000614070939 364489783 /nfs/dbraw/zinc/48/97/83/364489783.db2.gz MLUCOMRPROOLQJ-DOMZBBRYSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000614070939 364489791 /nfs/dbraw/zinc/48/97/91/364489791.db2.gz MLUCOMRPROOLQJ-DOMZBBRYSA-N 2 2 294.399 0.503 20 0 CCADLP [NH3+][C@@H](C(=O)NCC[NH+]1CCCCC1)c1cscn1 ZINC000564911114 291314367 /nfs/dbraw/zinc/31/43/67/291314367.db2.gz TXKSABCHTOKYOT-LLVKDONJSA-N 2 2 268.386 0.745 20 0 CCADLP [NH3+][C@]12CCC[C@H]1CN(C(=O)[C@H]1CCc3[nH+]ccn3C1)C2 ZINC000621700233 366843435 /nfs/dbraw/zinc/84/34/35/366843435.db2.gz KWRUPBHHHDMBKV-HUBLWGQQSA-N 2 2 274.368 0.785 20 0 CCADLP O=C(Nc1ccn2cc[nH+]c2c1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000614277011 364559610 /nfs/dbraw/zinc/55/96/10/364559610.db2.gz ZSMNDLJEQQDZNZ-CYBMUJFWSA-N 2 2 285.351 0.663 20 0 CCADLP O=C(Nc1ccn2cc[nH+]c2c1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000614277011 364559614 /nfs/dbraw/zinc/55/96/14/364559614.db2.gz ZSMNDLJEQQDZNZ-CYBMUJFWSA-N 2 2 285.351 0.663 20 0 CCADLP C[NH+](C)C1(C(=O)NCc2c[nH+]c3n2CCCC3)CC1 ZINC000614604053 364675661 /nfs/dbraw/zinc/67/56/61/364675661.db2.gz QADCITZPFASBPG-UHFFFAOYSA-N 2 2 262.357 0.930 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000614964890 364797536 /nfs/dbraw/zinc/79/75/36/364797536.db2.gz DZSQEUHFTBOELD-CQSZACIVSA-N 2 2 295.427 0.651 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000614964890 364797541 /nfs/dbraw/zinc/79/75/41/364797541.db2.gz DZSQEUHFTBOELD-CQSZACIVSA-N 2 2 295.427 0.651 20 0 CCADLP C[N@@H+]1CCN(Cc2cnc(N3CCCC3)nc2)[C@@H](C[NH3+])C1 ZINC000564973545 291328313 /nfs/dbraw/zinc/32/83/13/291328313.db2.gz KCMKHECPOLCDEW-AWEZNQCLSA-N 2 2 290.415 0.152 20 0 CCADLP C[N@H+]1CCN(Cc2cnc(N3CCCC3)nc2)[C@@H](C[NH3+])C1 ZINC000564973545 291328316 /nfs/dbraw/zinc/32/83/16/291328316.db2.gz KCMKHECPOLCDEW-AWEZNQCLSA-N 2 2 290.415 0.152 20 0 CCADLP C[C@H](CCO)CC[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000564979142 291329809 /nfs/dbraw/zinc/32/98/09/291329809.db2.gz QWSQGVNPHRRFHZ-AJNGGQMLSA-N 2 2 288.432 0.455 20 0 CCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000335605117 212317026 /nfs/dbraw/zinc/31/70/26/212317026.db2.gz KBWBWAKVQONRFW-CMPLNLGQSA-N 2 2 280.347 0.878 20 0 CCADLP CC(C)OC[C@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000564975690 291329014 /nfs/dbraw/zinc/32/90/14/291329014.db2.gz MCEVKHYWQVYPKQ-UONOGXRCSA-N 2 2 274.405 0.209 20 0 CCADLP CC(C)OC[C@H](O)C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000564975690 291329016 /nfs/dbraw/zinc/32/90/16/291329016.db2.gz MCEVKHYWQVYPKQ-UONOGXRCSA-N 2 2 274.405 0.209 20 0 CCADLP CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000565046765 291340086 /nfs/dbraw/zinc/34/00/86/291340086.db2.gz HXDOLQYGNYJWEF-CQSZACIVSA-N 2 2 279.388 0.049 20 0 CCADLP CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000565046765 291340088 /nfs/dbraw/zinc/34/00/88/291340088.db2.gz HXDOLQYGNYJWEF-CQSZACIVSA-N 2 2 279.388 0.049 20 0 CCADLP C[C@H](CC(=O)N1CC[NH+](C[C@H](C)O)CC1)n1cc[nH+]c1 ZINC000565080779 291343915 /nfs/dbraw/zinc/34/39/15/291343915.db2.gz DULCWPOENWMMAJ-OLZOCXBDSA-N 2 2 280.372 0.359 20 0 CCADLP C[C@@H](CC(=O)NC[C@H]1CCC[NH2+]C1)n1cc[nH+]c1 ZINC000565146780 291346685 /nfs/dbraw/zinc/34/66/85/291346685.db2.gz FMLBZIASRFJLMK-RYUDHWBXSA-N 2 2 250.346 0.950 20 0 CCADLP O=C1C[C@H]([NH+]2CCC(CCCn3cc[nH+]c3)CC2)C(=O)N1 ZINC000565159408 291348662 /nfs/dbraw/zinc/34/86/62/291348662.db2.gz ZIYGECXZALWOTB-ZDUSSCGKSA-N 2 2 290.367 0.790 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH+]1CCOCC1 ZINC000565174497 291351956 /nfs/dbraw/zinc/35/19/56/291351956.db2.gz UFUKZXYYALGSHM-LBPRGKRZSA-N 2 2 280.372 0.427 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH+]1CCOCC1 ZINC000565174497 291351960 /nfs/dbraw/zinc/35/19/60/291351960.db2.gz UFUKZXYYALGSHM-LBPRGKRZSA-N 2 2 280.372 0.427 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000616867826 365464461 /nfs/dbraw/zinc/46/44/61/365464461.db2.gz ACVUORDNCYSTPQ-ZDUSSCGKSA-N 2 2 296.415 0.936 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000616867826 365464469 /nfs/dbraw/zinc/46/44/69/365464469.db2.gz ACVUORDNCYSTPQ-ZDUSSCGKSA-N 2 2 296.415 0.936 20 0 CCADLP C[C@@H](NC(=O)N[C@@H](C)C[NH+](C)C)[C@H](C)[NH+]1CCOCC1 ZINC000493878464 296084457 /nfs/dbraw/zinc/08/44/57/296084457.db2.gz LRQHWPXJPHQXSK-XQQFMLRXSA-N 2 2 286.420 0.345 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC[C@@H]2CC2(F)F)[C@H](C[NH3+])C1 ZINC000621851277 366895035 /nfs/dbraw/zinc/89/50/35/366895035.db2.gz PYFVMPIWPOIFMB-NXEZZACHSA-N 2 2 276.331 0.316 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC[C@@H]2CC2(F)F)[C@H](C[NH3+])C1 ZINC000621851277 366895039 /nfs/dbraw/zinc/89/50/39/366895039.db2.gz PYFVMPIWPOIFMB-NXEZZACHSA-N 2 2 276.331 0.316 20 0 CCADLP CC1CC(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000621850942 366895210 /nfs/dbraw/zinc/89/52/10/366895210.db2.gz HJYHAAQRVBCQNU-MCIGGMRASA-N 2 2 254.378 0.317 20 0 CCADLP CC1CC(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000621850942 366895215 /nfs/dbraw/zinc/89/52/15/366895215.db2.gz HJYHAAQRVBCQNU-MCIGGMRASA-N 2 2 254.378 0.317 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3ccncc3Cl)CCN2C1=O ZINC000565238374 291365559 /nfs/dbraw/zinc/36/55/59/291365559.db2.gz HGGWTKHVPSUOTJ-CMPLNLGQSA-N 2 2 280.759 0.479 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3ccncc3Cl)CCN2C1=O ZINC000565238374 291365561 /nfs/dbraw/zinc/36/55/61/291365561.db2.gz HGGWTKHVPSUOTJ-CMPLNLGQSA-N 2 2 280.759 0.479 20 0 CCADLP C[NH+](C)C1CC(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000622007621 366977691 /nfs/dbraw/zinc/97/76/91/366977691.db2.gz GUMLODLHDYMJOC-VOMCLLRMSA-N 2 2 262.357 0.654 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCC2(C)C)[C@H](C[NH3+])C1 ZINC000565295021 291369692 /nfs/dbraw/zinc/36/96/92/291369692.db2.gz WZOJEXHNSKYOHJ-MNOVXSKESA-N 2 2 254.378 0.459 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@H]2CCC2(C)C)[C@H](C[NH3+])C1 ZINC000565295021 291369693 /nfs/dbraw/zinc/36/96/93/291369693.db2.gz WZOJEXHNSKYOHJ-MNOVXSKESA-N 2 2 254.378 0.459 20 0 CCADLP C[N@@H+]1CCN(C(=O)COc2ccccc2Cl)[C@H](C[NH3+])C1 ZINC000566200546 291374811 /nfs/dbraw/zinc/37/48/11/291374811.db2.gz RXGDXKASXFSLRU-LLVKDONJSA-N 2 2 297.786 0.820 20 0 CCADLP C[N@H+]1CCN(C(=O)COc2ccccc2Cl)[C@H](C[NH3+])C1 ZINC000566200546 291374813 /nfs/dbraw/zinc/37/48/13/291374813.db2.gz RXGDXKASXFSLRU-LLVKDONJSA-N 2 2 297.786 0.820 20 0 CCADLP CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632029386 370839183 /nfs/dbraw/zinc/83/91/83/370839183.db2.gz CUELMRKOSCNPOM-GFCCVEGCSA-N 2 2 289.445 0.436 20 0 CCADLP CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632029386 370839190 /nfs/dbraw/zinc/83/91/90/370839190.db2.gz CUELMRKOSCNPOM-GFCCVEGCSA-N 2 2 289.445 0.436 20 0 CCADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C1 ZINC000261602505 291379690 /nfs/dbraw/zinc/37/96/90/291379690.db2.gz AKVFPMGNQOBAFS-SQWLQELKSA-N 2 2 295.427 0.827 20 0 CCADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)C1 ZINC000261602505 291379693 /nfs/dbraw/zinc/37/96/93/291379693.db2.gz AKVFPMGNQOBAFS-SQWLQELKSA-N 2 2 295.427 0.827 20 0 CCADLP C/C=C\C[C@H](CO)[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000566232633 291380550 /nfs/dbraw/zinc/38/05/50/291380550.db2.gz BISWKPQBVXPNCR-QQMBVBDWSA-N 2 2 286.416 0.373 20 0 CCADLP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000623178932 367467252 /nfs/dbraw/zinc/46/72/52/367467252.db2.gz NNOIDCWWYBVPBN-SMDDNHRTSA-N 2 2 280.347 0.606 20 0 CCADLP O=C(NCCC[NH2+]C1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623180017 367467750 /nfs/dbraw/zinc/46/77/50/367467750.db2.gz OHHWQOPYAQIJAP-LLVKDONJSA-N 2 2 262.357 0.704 20 0 CCADLP COC[C@]1(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CCC[NH2+]1 ZINC000623178373 367465489 /nfs/dbraw/zinc/46/54/89/367465489.db2.gz NXSWGFROGKSTSP-SWLSCSKDSA-N 2 2 292.383 0.330 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000623306065 367526460 /nfs/dbraw/zinc/52/64/60/367526460.db2.gz GCVCRCZSGNFVSZ-AAEUAGOBSA-N 2 2 278.356 0.035 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000623306065 367526471 /nfs/dbraw/zinc/52/64/71/367526471.db2.gz GCVCRCZSGNFVSZ-AAEUAGOBSA-N 2 2 278.356 0.035 20 0 CCADLP C[C@@H](NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)[C@@H](C)[NH+]1CCOCC1 ZINC000366667843 296098693 /nfs/dbraw/zinc/09/86/93/296098693.db2.gz GAVHRWJSHQFMLL-IXYNUQLISA-N 2 2 295.427 0.602 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H]2CCn3cc(C)[nH+]c3C2)CC1 ZINC000623350036 367541997 /nfs/dbraw/zinc/54/19/97/367541997.db2.gz VRAULHWBGISXRG-ZDUSSCGKSA-N 2 2 276.384 0.918 20 0 CCADLP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1(C)C ZINC000623373101 367550436 /nfs/dbraw/zinc/55/04/36/367550436.db2.gz RUYCNAZSGXHBMU-ZIAGYGMSSA-N 3 2 269.433 0.906 20 0 CCADLP C[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1(C)C ZINC000623373101 367550439 /nfs/dbraw/zinc/55/04/39/367550439.db2.gz RUYCNAZSGXHBMU-ZIAGYGMSSA-N 3 2 269.433 0.906 20 0 CCADLP C[C@H](C(=O)NC(C)(C)CCC[NH3+])[NH+]1CCN(C)CC1 ZINC000566252174 291385744 /nfs/dbraw/zinc/38/57/44/291385744.db2.gz MWVMLGMMJXEHBD-GFCCVEGCSA-N 2 2 270.421 0.256 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NCCCCn1cc[nH+]c1 ZINC000623486929 367572890 /nfs/dbraw/zinc/57/28/90/367572890.db2.gz NUWOBYVQDZOZFP-CYBMUJFWSA-N 2 2 295.387 0.293 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)NCCCCn1cc[nH+]c1 ZINC000623486929 367572894 /nfs/dbraw/zinc/57/28/94/367572894.db2.gz NUWOBYVQDZOZFP-CYBMUJFWSA-N 2 2 295.387 0.293 20 0 CCADLP Cc1ccc(O)c(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)n1 ZINC000623618086 367603916 /nfs/dbraw/zinc/60/39/16/367603916.db2.gz CBDZLDDWLAXLGG-ZDUSSCGKSA-N 2 2 292.383 0.525 20 0 CCADLP Cc1ccc(O)c(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)n1 ZINC000623618086 367603923 /nfs/dbraw/zinc/60/39/23/367603923.db2.gz CBDZLDDWLAXLGG-ZDUSSCGKSA-N 2 2 292.383 0.525 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cccnc1 ZINC000623617620 367604575 /nfs/dbraw/zinc/60/45/75/367604575.db2.gz FEJVOZUOLSKYST-ZDUSSCGKSA-N 2 2 262.357 0.511 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cccnc1 ZINC000623617620 367604579 /nfs/dbraw/zinc/60/45/79/367604579.db2.gz FEJVOZUOLSKYST-ZDUSSCGKSA-N 2 2 262.357 0.511 20 0 CCADLP Cc1nn(C)cc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000623618927 367605204 /nfs/dbraw/zinc/60/52/04/367605204.db2.gz KKOTXYZEYOJNFZ-ZDUSSCGKSA-N 2 2 279.388 0.158 20 0 CCADLP Cc1nn(C)cc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000623618927 367605209 /nfs/dbraw/zinc/60/52/09/367605209.db2.gz KKOTXYZEYOJNFZ-ZDUSSCGKSA-N 2 2 279.388 0.158 20 0 CCADLP CC[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CCO1 ZINC000623619691 367606471 /nfs/dbraw/zinc/60/64/71/367606471.db2.gz SFUILSBVGJZNRQ-MJBXVCDLSA-N 2 2 283.416 0.873 20 0 CCADLP CC[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CCO1 ZINC000623619691 367606477 /nfs/dbraw/zinc/60/64/77/367606477.db2.gz SFUILSBVGJZNRQ-MJBXVCDLSA-N 2 2 283.416 0.873 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CO1 ZINC000623619729 367606524 /nfs/dbraw/zinc/60/65/24/367606524.db2.gz USVRGGGSUNPXBP-UTUOFQBUSA-N 2 2 255.362 0.093 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CO1 ZINC000623619729 367606531 /nfs/dbraw/zinc/60/65/31/367606531.db2.gz USVRGGGSUNPXBP-UTUOFQBUSA-N 2 2 255.362 0.093 20 0 CCADLP COCC1CCC([NH2+]CC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000623759279 367649114 /nfs/dbraw/zinc/64/91/14/367649114.db2.gz FYESJWSPJHLKOI-JXQTWKCFSA-N 2 2 256.390 0.848 20 0 CCADLP COCC1CCC([NH2+]CC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000623759279 367649121 /nfs/dbraw/zinc/64/91/21/367649121.db2.gz FYESJWSPJHLKOI-JXQTWKCFSA-N 2 2 256.390 0.848 20 0 CCADLP CCCNC(=O)C[N@H+](CCC)C[C@@](C)(O)C[NH2+]C ZINC000566350909 291396905 /nfs/dbraw/zinc/39/69/05/291396905.db2.gz CSZBDMHPMMWTOB-ZDUSSCGKSA-N 2 2 259.394 0.195 20 0 CCADLP CCCNC(=O)C[N@@H+](CCC)C[C@@](C)(O)C[NH2+]C ZINC000566350909 291396906 /nfs/dbraw/zinc/39/69/06/291396906.db2.gz CSZBDMHPMMWTOB-ZDUSSCGKSA-N 2 2 259.394 0.195 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)C1CC[NH+](C)CC1 ZINC000624085311 367748245 /nfs/dbraw/zinc/74/82/45/367748245.db2.gz MIXYVIDRAUNHBS-HIFRSBDPSA-N 3 2 296.459 0.646 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)C1CC[NH+](C)CC1 ZINC000624085311 367748246 /nfs/dbraw/zinc/74/82/46/367748246.db2.gz MIXYVIDRAUNHBS-HIFRSBDPSA-N 3 2 296.459 0.646 20 0 CCADLP NC(=O)[C@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000624133726 367763248 /nfs/dbraw/zinc/76/32/48/367763248.db2.gz VHPWVMGZXZSHEJ-DRZSPHRISA-N 2 2 267.373 0.093 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000624137158 367763527 /nfs/dbraw/zinc/76/35/27/367763527.db2.gz DUQUTYAJNKLIJE-FDYHWXHSSA-N 2 2 289.445 0.387 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000624137158 367763529 /nfs/dbraw/zinc/76/35/29/367763529.db2.gz DUQUTYAJNKLIJE-FDYHWXHSSA-N 2 2 289.445 0.387 20 0 CCADLP COC1(C[C@H](C)[NH2+]CC[N@@H+]2CC[C@@H](O)C2)CCC1 ZINC000624230864 367798155 /nfs/dbraw/zinc/79/81/55/367798155.db2.gz JKQQDBQIDQUIBO-QWHCGFSZSA-N 2 2 256.390 0.990 20 0 CCADLP COC1(C[C@H](C)[NH2+]CC[N@H+]2CC[C@@H](O)C2)CCC1 ZINC000624230864 367798158 /nfs/dbraw/zinc/79/81/58/367798158.db2.gz JKQQDBQIDQUIBO-QWHCGFSZSA-N 2 2 256.390 0.990 20 0 CCADLP Cc1cc(N2CC(CN3CC[NH+](C)CC3)C2)nc(C)[nH+]1 ZINC000624364226 367853085 /nfs/dbraw/zinc/85/30/85/367853085.db2.gz IRTLHWSHHWIBDN-UHFFFAOYSA-N 2 2 275.400 0.777 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000624336594 367838007 /nfs/dbraw/zinc/83/80/07/367838007.db2.gz UWBMYHMXKLBRSW-CHWSQXEVSA-N 2 2 298.431 0.489 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000624336594 367838010 /nfs/dbraw/zinc/83/80/10/367838010.db2.gz UWBMYHMXKLBRSW-CHWSQXEVSA-N 2 2 298.431 0.489 20 0 CCADLP C[NH+]1CCOC[C@H]1CNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000624336594 367838012 /nfs/dbraw/zinc/83/80/12/367838012.db2.gz UWBMYHMXKLBRSW-CHWSQXEVSA-N 2 2 298.431 0.489 20 0 CCADLP C[NH+]1CCOC[C@H]1CNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000624336594 367838014 /nfs/dbraw/zinc/83/80/14/367838014.db2.gz UWBMYHMXKLBRSW-CHWSQXEVSA-N 2 2 298.431 0.489 20 0 CCADLP Cn1c2cc(F)ccc2[nH+]c1NCC[N@@H+]1CC[C@H](O)C1 ZINC000624775219 367991282 /nfs/dbraw/zinc/99/12/82/367991282.db2.gz CDLKTUPJSKROBM-NSHDSACASA-N 2 2 278.331 0.613 20 0 CCADLP Cn1c2cc(F)ccc2[nH+]c1NCC[N@H+]1CC[C@H](O)C1 ZINC000624775219 367991284 /nfs/dbraw/zinc/99/12/84/367991284.db2.gz CDLKTUPJSKROBM-NSHDSACASA-N 2 2 278.331 0.613 20 0 CCADLP CC[NH+]1CCN(C(=O)c2conc2C(C)(C)[NH3+])CC1 ZINC000566475143 291415241 /nfs/dbraw/zinc/41/52/41/291415241.db2.gz WOKJFTOSMUHVAQ-UHFFFAOYSA-N 2 2 266.345 0.646 20 0 CCADLP CC(C)(C)CNC(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000625373081 368166520 /nfs/dbraw/zinc/16/65/20/368166520.db2.gz ALKILDRAJIZHSC-UHFFFAOYSA-N 2 2 279.388 0.694 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000625897856 368361562 /nfs/dbraw/zinc/36/15/62/368361562.db2.gz XBENTADHMXLPHG-CQSZACIVSA-N 2 2 290.367 0.742 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000625897856 368361569 /nfs/dbraw/zinc/36/15/69/368361569.db2.gz XBENTADHMXLPHG-CQSZACIVSA-N 2 2 290.367 0.742 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000626081494 368433088 /nfs/dbraw/zinc/43/30/88/368433088.db2.gz GAJMBGRPUIKGDZ-ZDUSSCGKSA-N 2 2 278.356 0.125 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C ZINC000626269797 368503271 /nfs/dbraw/zinc/50/32/71/368503271.db2.gz CLUOAXRLTBOXDZ-TXEJJXNPSA-N 2 2 250.346 0.743 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1[C@H](C)C[N@H+](C)C[C@@H]1C ZINC000626269797 368503276 /nfs/dbraw/zinc/50/32/76/368503276.db2.gz CLUOAXRLTBOXDZ-TXEJJXNPSA-N 2 2 250.346 0.743 20 0 CCADLP CC[N@H+](CCO)CCNC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000626485521 368560673 /nfs/dbraw/zinc/56/06/73/368560673.db2.gz BDXBBOMFONXXOW-CYBMUJFWSA-N 2 2 294.399 0.184 20 0 CCADLP CC[N@@H+](CCO)CCNC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000626485521 368560678 /nfs/dbraw/zinc/56/06/78/368560678.db2.gz BDXBBOMFONXXOW-CYBMUJFWSA-N 2 2 294.399 0.184 20 0 CCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N[C@@H]1CC[NH2+]C1 ZINC000626929193 368684168 /nfs/dbraw/zinc/68/41/68/368684168.db2.gz JLWFITUCOMZELJ-CYBMUJFWSA-N 2 2 289.383 0.843 20 0 CCADLP C[NH2+]CCOCCNC(=O)N[C@@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000627053087 368758394 /nfs/dbraw/zinc/75/83/94/368758394.db2.gz XHRJEENJULQCKQ-GHMZBOCLSA-N 2 2 281.360 0.424 20 0 CCADLP C[NH2+]CCNC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000627071306 368770415 /nfs/dbraw/zinc/77/04/15/368770415.db2.gz FTZYXFBWBJXMED-UHFFFAOYSA-N 2 2 294.403 0.261 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)N(C)CCOCC[NH3+] ZINC000627051978 368757768 /nfs/dbraw/zinc/75/77/68/368757768.db2.gz IOGDHYGVEPSMNT-LLVKDONJSA-N 2 2 283.376 0.581 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000627184203 368852902 /nfs/dbraw/zinc/85/29/02/368852902.db2.gz TXBLMMNBWMNWOE-XUXIUFHCSA-N 2 2 296.415 0.086 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000627184203 368852907 /nfs/dbraw/zinc/85/29/07/368852907.db2.gz TXBLMMNBWMNWOE-XUXIUFHCSA-N 2 2 296.415 0.086 20 0 CCADLP C[C@H]([NH3+])C1CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000627184401 368853460 /nfs/dbraw/zinc/85/34/60/368853460.db2.gz WZIWZBTUGIXNMQ-AAEUAGOBSA-N 2 2 284.404 0.086 20 0 CCADLP C[C@H]([NH3+])C1CCN(C(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000627184401 368853469 /nfs/dbraw/zinc/85/34/69/368853469.db2.gz WZIWZBTUGIXNMQ-AAEUAGOBSA-N 2 2 284.404 0.086 20 0 CCADLP O=C(N[C@@H]1CC[NH2+]C1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000627250850 368917333 /nfs/dbraw/zinc/91/73/33/368917333.db2.gz JKJPWAUCWDQZNM-DGCLKSJQSA-N 2 2 276.340 0.606 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)C1 ZINC000627764174 369092607 /nfs/dbraw/zinc/09/26/07/369092607.db2.gz UVCITAPUOZDSSB-OLZOCXBDSA-N 2 2 276.384 0.964 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)C1 ZINC000627764174 369092615 /nfs/dbraw/zinc/09/26/15/369092615.db2.gz UVCITAPUOZDSSB-OLZOCXBDSA-N 2 2 276.384 0.964 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccnn1 ZINC000628062974 369173919 /nfs/dbraw/zinc/17/39/19/369173919.db2.gz VWDFXWLPXRHDTG-UHFFFAOYSA-N 2 2 265.361 0.090 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccnn1 ZINC000628062974 369173924 /nfs/dbraw/zinc/17/39/24/369173924.db2.gz VWDFXWLPXRHDTG-UHFFFAOYSA-N 2 2 265.361 0.090 20 0 CCADLP Cc1[nH]c(CN2CC[NH+](C[C@H](C)O)CC2)[nH+]c1C ZINC000628162769 369197282 /nfs/dbraw/zinc/19/72/82/369197282.db2.gz DBYKUROBLJGQOR-JTQLQIEISA-N 2 2 252.362 0.525 20 0 CCADLP C[N@H+]1CCO[C@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC000574338285 335012048 /nfs/dbraw/zinc/01/20/48/335012048.db2.gz RRUMHPDDPDVSGC-KBPBESRZSA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+]1CCO[C@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC000574338285 335012049 /nfs/dbraw/zinc/01/20/49/335012049.db2.gz RRUMHPDDPDVSGC-KBPBESRZSA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+]1CCO[C@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC000574338285 335012051 /nfs/dbraw/zinc/01/20/51/335012051.db2.gz RRUMHPDDPDVSGC-KBPBESRZSA-N 2 2 295.427 0.650 20 0 CCADLP C[N@H+](Cc1c[nH+]c2n1CCC2)[C@]1(CO)CCOC1 ZINC000628368058 369250633 /nfs/dbraw/zinc/25/06/33/369250633.db2.gz KQKZOLJWTHWPMS-ZDUSSCGKSA-N 2 2 251.330 0.413 20 0 CCADLP C[N@@H+](Cc1c[nH+]c2n1CCC2)[C@]1(CO)CCOC1 ZINC000628368058 369250635 /nfs/dbraw/zinc/25/06/35/369250635.db2.gz KQKZOLJWTHWPMS-ZDUSSCGKSA-N 2 2 251.330 0.413 20 0 CCADLP OCC[NH+](CCO)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000628369942 369252024 /nfs/dbraw/zinc/25/20/24/369252024.db2.gz LKJHNLSHFBPLOM-UHFFFAOYSA-N 2 2 284.322 0.690 20 0 CCADLP OCC1([NH2+]CC2CC2)CC[NH+](C[C@H]2COCCO2)CC1 ZINC000567239535 291468332 /nfs/dbraw/zinc/46/83/32/291468332.db2.gz UTHAEMCNNZLYCF-AWEZNQCLSA-N 2 2 284.400 0.228 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NC[C@@H]2COCC[NH+]2C)CC[N@@H+]1C ZINC000628917103 369456164 /nfs/dbraw/zinc/45/61/64/369456164.db2.gz AHEMVESKTMLFAX-RWMBFGLXSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NC[C@@H]2COCC[NH+]2C)CC[N@H+]1C ZINC000628917103 369456169 /nfs/dbraw/zinc/45/61/69/369456169.db2.gz AHEMVESKTMLFAX-RWMBFGLXSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NC[C@@H]2COCC[N@@H+]2C)CC[NH+]1C ZINC000628917103 369456175 /nfs/dbraw/zinc/45/61/75/369456175.db2.gz AHEMVESKTMLFAX-RWMBFGLXSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NC[C@@H]2COCC[N@H+]2C)CC[NH+]1C ZINC000628917103 369456182 /nfs/dbraw/zinc/45/61/82/369456182.db2.gz AHEMVESKTMLFAX-RWMBFGLXSA-N 2 2 269.389 0.164 20 0 CCADLP C[NH2+]CCOCC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000629391585 369652939 /nfs/dbraw/zinc/65/29/39/369652939.db2.gz BBFZBUYYYCVDRB-UHFFFAOYSA-N 3 2 292.427 0.872 20 0 CCADLP C[N@@H+]1CCC[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000629451157 369671365 /nfs/dbraw/zinc/67/13/65/369671365.db2.gz JIRAULROHOGGSU-ZDUSSCGKSA-N 2 2 276.384 0.972 20 0 CCADLP C[N@H+]1CCC[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000629451157 369671369 /nfs/dbraw/zinc/67/13/69/369671369.db2.gz JIRAULROHOGGSU-ZDUSSCGKSA-N 2 2 276.384 0.972 20 0 CCADLP C[C@H](C(N)=O)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629564534 369709994 /nfs/dbraw/zinc/70/99/94/369709994.db2.gz SNAUFMXMCVZJJD-BWZBUEFSSA-N 2 2 253.268 0.319 20 0 CCADLP C[C@H](C(N)=O)[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629564534 369710000 /nfs/dbraw/zinc/71/00/00/369710000.db2.gz SNAUFMXMCVZJJD-BWZBUEFSSA-N 2 2 253.268 0.319 20 0 CCADLP CN(C)C(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629566590 369711756 /nfs/dbraw/zinc/71/17/56/369711756.db2.gz ZSOOIEMSMYVJCL-RKDXNWHRSA-N 2 2 267.295 0.534 20 0 CCADLP CN(C)C(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629566590 369711757 /nfs/dbraw/zinc/71/17/57/369711757.db2.gz ZSOOIEMSMYVJCL-RKDXNWHRSA-N 2 2 267.295 0.534 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629565014 369712779 /nfs/dbraw/zinc/71/27/79/369712779.db2.gz UMGIEWPELSWHNX-AXFHLTTASA-N 3 2 283.338 0.416 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629565014 369712782 /nfs/dbraw/zinc/71/27/82/369712782.db2.gz UMGIEWPELSWHNX-AXFHLTTASA-N 3 2 283.338 0.416 20 0 CCADLP CCCc1noc(C[N@H+](C)CCOCC[NH2+]C)n1 ZINC000629569245 369714098 /nfs/dbraw/zinc/71/40/98/369714098.db2.gz PHYYZBRAWOBSRB-UHFFFAOYSA-N 2 2 256.350 0.690 20 0 CCADLP CCCc1noc(C[N@@H+](C)CCOCC[NH2+]C)n1 ZINC000629569245 369714104 /nfs/dbraw/zinc/71/41/04/369714104.db2.gz PHYYZBRAWOBSRB-UHFFFAOYSA-N 2 2 256.350 0.690 20 0 CCADLP C[NH2+]CCOCC[N@H+](C)Cc1nc(N)c2ccccc2n1 ZINC000629571153 369716334 /nfs/dbraw/zinc/71/63/34/369716334.db2.gz RDGGGKIELZTWHS-UHFFFAOYSA-N 2 2 289.383 0.710 20 0 CCADLP C[NH2+]CCOCC[N@@H+](C)Cc1nc(N)c2ccccc2n1 ZINC000629571153 369716339 /nfs/dbraw/zinc/71/63/39/369716339.db2.gz RDGGGKIELZTWHS-UHFFFAOYSA-N 2 2 289.383 0.710 20 0 CCADLP C(C[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1)OC1CCOCC1 ZINC000629534280 369694575 /nfs/dbraw/zinc/69/45/75/369694575.db2.gz UDPSTNMFGXSTTA-OCCSQVGLSA-N 2 2 254.374 0.866 20 0 CCADLP C(C[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1)OC1CCOCC1 ZINC000629534280 369694581 /nfs/dbraw/zinc/69/45/81/369694581.db2.gz UDPSTNMFGXSTTA-OCCSQVGLSA-N 2 2 254.374 0.866 20 0 CCADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCS(=O)(=O)c1ccccn1 ZINC000629537839 369696225 /nfs/dbraw/zinc/69/62/25/369696225.db2.gz REMPMHIIMJIVJR-LLVKDONJSA-N 2 2 285.413 0.818 20 0 CCADLP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)C[NH+]1CCOCC1 ZINC000276572920 193386165 /nfs/dbraw/zinc/38/61/65/193386165.db2.gz KNYYHOVKCUJAQM-ZDUSSCGKSA-N 2 2 294.399 0.437 20 0 CCADLP O=C(CC[NH2+]CC[N@H+]1CC[C@H](O)C1)Nc1cccnc1 ZINC000629617656 369741991 /nfs/dbraw/zinc/74/19/91/369741991.db2.gz NJEMPQODAVFCPS-ZDUSSCGKSA-N 2 2 278.356 0.066 20 0 CCADLP O=C(CC[NH2+]CC[N@@H+]1CC[C@H](O)C1)Nc1cccnc1 ZINC000629617656 369741997 /nfs/dbraw/zinc/74/19/97/369741997.db2.gz NJEMPQODAVFCPS-ZDUSSCGKSA-N 2 2 278.356 0.066 20 0 CCADLP O=C1[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CCN1C1CCC1 ZINC000629618042 369742901 /nfs/dbraw/zinc/74/29/01/369742901.db2.gz SIBQKDUVHQJIPI-KGLIPLIRSA-N 2 2 281.400 0.186 20 0 CCADLP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000629653071 369748326 /nfs/dbraw/zinc/74/83/26/369748326.db2.gz MHZBEPGKUULUGV-NXEZZACHSA-N 3 2 265.361 0.261 20 0 CCADLP C[C@H](c1nc(C2CC2)no1)[N@H+](C)CCOCC[NH3+] ZINC000629579718 369723335 /nfs/dbraw/zinc/72/33/35/369723335.db2.gz PYKSBCVYBQMMHP-SECBINFHSA-N 2 2 254.334 0.915 20 0 CCADLP C[C@H](c1nc(C2CC2)no1)[N@@H+](C)CCOCC[NH3+] ZINC000629579718 369723339 /nfs/dbraw/zinc/72/33/39/369723339.db2.gz PYKSBCVYBQMMHP-SECBINFHSA-N 2 2 254.334 0.915 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C[C@@H](C)O1 ZINC000629584852 369727726 /nfs/dbraw/zinc/72/77/26/369727726.db2.gz VPJREZBODFEFJC-XOUADPBQSA-N 2 2 295.427 0.554 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C[C@@H](C)O1 ZINC000629584852 369727731 /nfs/dbraw/zinc/72/77/31/369727731.db2.gz VPJREZBODFEFJC-XOUADPBQSA-N 2 2 295.427 0.554 20 0 CCADLP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@H]1C[NH+](C)CCO1 ZINC000629974995 369863854 /nfs/dbraw/zinc/86/38/54/369863854.db2.gz NOPALZIKJCNUQJ-DGCLKSJQSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)[C@H]1C[NH+](C)CCO1 ZINC000629974995 369863857 /nfs/dbraw/zinc/86/38/57/369863857.db2.gz NOPALZIKJCNUQJ-DGCLKSJQSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H](NC(=O)C[NH+](C)C1CCC1)[C@H]1C[N@H+](C)CCO1 ZINC000629974995 369863862 /nfs/dbraw/zinc/86/38/62/369863862.db2.gz NOPALZIKJCNUQJ-DGCLKSJQSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H](NC(=O)C[NH+](C)C1CCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000629974995 369863865 /nfs/dbraw/zinc/86/38/65/369863865.db2.gz NOPALZIKJCNUQJ-DGCLKSJQSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C[N@H+](C)C1CCC1 ZINC000629992611 369877750 /nfs/dbraw/zinc/87/77/50/369877750.db2.gz VCCCXPOUMIZLPI-HIFRSBDPSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C[N@@H+](C)C1CCC1 ZINC000629992611 369877753 /nfs/dbraw/zinc/87/77/53/369877753.db2.gz VCCCXPOUMIZLPI-HIFRSBDPSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H](O)[C@H]1CCN(c2cc(N3C[C@@H]4C[C@H]3C[NH2+]4)nc[nH+]2)C1 ZINC000630555399 370168008 /nfs/dbraw/zinc/16/80/08/370168008.db2.gz LCJJECWUDFNEHY-VOAKCMCISA-N 2 2 289.383 0.234 20 0 CCADLP C[C@@H](O)CNc1cc(N2C[C@H]3CC[C@@H](C2)[NH2+]3)nc[nH+]1 ZINC000630555821 370168315 /nfs/dbraw/zinc/16/83/15/370168315.db2.gz JKPTXOVEGRLFDF-MXWKQRLJSA-N 2 2 263.345 0.210 20 0 CCADLP OC[C@H]1CCCN(c2cc(NC3CC[NH2+]CC3)[nH+]cn2)C1 ZINC000630549135 370162153 /nfs/dbraw/zinc/16/21/53/370162153.db2.gz BJIRVCDMKZCLKW-LBPRGKRZSA-N 2 2 291.399 0.849 20 0 CCADLP OC[C@H]1CCCN(c2cc(NC3CC[NH2+]CC3)nc[nH+]2)C1 ZINC000630549135 370162161 /nfs/dbraw/zinc/16/21/61/370162161.db2.gz BJIRVCDMKZCLKW-LBPRGKRZSA-N 2 2 291.399 0.849 20 0 CCADLP C[C@]1(F)C[NH2+]CCN(C(=O)c2csc(C[NH3+])n2)C1 ZINC000567587440 291492717 /nfs/dbraw/zinc/49/27/17/291492717.db2.gz JLWUAMNJULCXGB-NSHDSACASA-N 2 2 272.349 0.375 20 0 CCADLP Cc1nc(N2CC[NH+](CC3CCOCC3)CC2)nc(N)[nH+]1 ZINC000631123018 370391315 /nfs/dbraw/zinc/39/13/15/370391315.db2.gz KMLUAVWFSLGMKF-UHFFFAOYSA-N 2 2 292.387 0.141 20 0 CCADLP C[C@@H](CC(=O)NCC1CC[NH2+]CC1)n1cc[nH+]c1 ZINC000567619736 291495761 /nfs/dbraw/zinc/49/57/61/291495761.db2.gz BMOLNOQTBDZTTC-NSHDSACASA-N 2 2 250.346 0.950 20 0 CCADLP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)[C@H](O)C(F)(F)F ZINC000631235815 370434054 /nfs/dbraw/zinc/43/40/54/370434054.db2.gz KIKWDYQCIVIDKU-APPZFPTMSA-N 2 2 280.294 0.887 20 0 CCADLP C[C@H](C[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1)C[NH+](C)C ZINC000631139898 370397024 /nfs/dbraw/zinc/39/70/24/370397024.db2.gz KTFGDSBAMFJIMX-OLZOCXBDSA-N 2 2 281.404 0.602 20 0 CCADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3COCC[C@H]3O)n2c1 ZINC000631272439 370447984 /nfs/dbraw/zinc/44/79/84/370447984.db2.gz XGOUOUYKTUTAQY-CHWSQXEVSA-N 2 2 261.325 0.882 20 0 CCADLP CCC[N@H+](CC)C[C@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000631279607 370452591 /nfs/dbraw/zinc/45/25/91/370452591.db2.gz OGGAHOYIMSGMQY-VIFPVBQESA-N 2 2 252.366 0.547 20 0 CCADLP CCC[N@@H+](CC)C[C@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000631279607 370452595 /nfs/dbraw/zinc/45/25/95/370452595.db2.gz OGGAHOYIMSGMQY-VIFPVBQESA-N 2 2 252.366 0.547 20 0 CCADLP Cc1nc(N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)nc(N(C)C)[nH+]1 ZINC000631327538 370476306 /nfs/dbraw/zinc/47/63/06/370476306.db2.gz RDBUJNSUKOMHJH-NWDGAFQWSA-N 2 2 276.388 0.634 20 0 CCADLP Cc1nc(N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)nc(N(C)C)[nH+]1 ZINC000631327538 370476315 /nfs/dbraw/zinc/47/63/15/370476315.db2.gz RDBUJNSUKOMHJH-NWDGAFQWSA-N 2 2 276.388 0.634 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000331310950 203707869 /nfs/dbraw/zinc/70/78/69/203707869.db2.gz UXFHBVOKBJLSRI-NWDGAFQWSA-N 2 2 264.373 0.902 20 0 CCADLP Cc1nc(N(C)CC[N@@H+]2CCOC(C)(C)C2)nc(N)[nH+]1 ZINC000631252201 370438502 /nfs/dbraw/zinc/43/85/02/370438502.db2.gz VZIVWOGKLGRYIX-UHFFFAOYSA-N 2 2 280.376 0.140 20 0 CCADLP Cc1nc(N(C)CC[N@H+]2CCOC(C)(C)C2)nc(N)[nH+]1 ZINC000631252201 370438504 /nfs/dbraw/zinc/43/85/04/370438504.db2.gz VZIVWOGKLGRYIX-UHFFFAOYSA-N 2 2 280.376 0.140 20 0 CCADLP Cc1noc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000631363919 370499117 /nfs/dbraw/zinc/49/91/17/370499117.db2.gz QSNRXBOQFPOPKY-NSHDSACASA-N 2 2 293.371 0.276 20 0 CCADLP Cc1noc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000631363919 370499120 /nfs/dbraw/zinc/49/91/20/370499120.db2.gz QSNRXBOQFPOPKY-NSHDSACASA-N 2 2 293.371 0.276 20 0 CCADLP C[C@H](NS(=O)(=O)CCC[NH+](C)C)c1[nH+]ccn1C ZINC000632572744 371151641 /nfs/dbraw/zinc/15/16/41/371151641.db2.gz FRXWNYPOEJCUQX-JTQLQIEISA-N 2 2 274.390 0.352 20 0 CCADLP O=C1CNC(=O)N1CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000331746525 204117791 /nfs/dbraw/zinc/11/77/91/204117791.db2.gz IHIUVVHNYSBXKR-JTQLQIEISA-N 2 2 277.328 0.141 20 0 CCADLP O=C1CNC(=O)N1CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000331746525 204117795 /nfs/dbraw/zinc/11/77/95/204117795.db2.gz IHIUVVHNYSBXKR-JTQLQIEISA-N 2 2 277.328 0.141 20 0 CCADLP CC[C@@]1(O)CCC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000640036411 376203781 /nfs/dbraw/zinc/20/37/81/376203781.db2.gz ROSGZARUBQRVAC-UONOGXRCSA-N 2 2 274.405 0.162 20 0 CCADLP CC[C@@]1(O)CCC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000640036411 376203783 /nfs/dbraw/zinc/20/37/83/376203783.db2.gz ROSGZARUBQRVAC-UONOGXRCSA-N 2 2 274.405 0.162 20 0 CCADLP CC[C@@]1(O)CCC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000640036411 376203786 /nfs/dbraw/zinc/20/37/86/376203786.db2.gz ROSGZARUBQRVAC-UONOGXRCSA-N 2 2 274.405 0.162 20 0 CCADLP CC[C@@]1(O)CCC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000640036411 376203788 /nfs/dbraw/zinc/20/37/88/376203788.db2.gz ROSGZARUBQRVAC-UONOGXRCSA-N 2 2 274.405 0.162 20 0 CCADLP COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000331934488 204311839 /nfs/dbraw/zinc/31/18/39/204311839.db2.gz HVKUODXYHYJJFC-VXGBXAGGSA-N 2 2 285.388 0.080 20 0 CCADLP COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000331934488 204311841 /nfs/dbraw/zinc/31/18/41/204311841.db2.gz HVKUODXYHYJJFC-VXGBXAGGSA-N 2 2 285.388 0.080 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000236806729 189845864 /nfs/dbraw/zinc/84/58/64/189845864.db2.gz BFWHPLDASKLLFE-CYBMUJFWSA-N 2 2 269.389 0.308 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000337372306 214036715 /nfs/dbraw/zinc/03/67/15/214036715.db2.gz RPVLABYUXFWXQO-AWEZNQCLSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)O1 ZINC000634688406 372133737 /nfs/dbraw/zinc/13/37/37/372133737.db2.gz RJIHQBMMOWTBIV-MGPQQGTHSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)O1 ZINC000634688406 372133745 /nfs/dbraw/zinc/13/37/45/372133745.db2.gz RJIHQBMMOWTBIV-MGPQQGTHSA-N 2 2 281.400 0.450 20 0 CCADLP O[C@H](C[NH2+][C@H]1CC[N@H+](CC2CC2)C1)CC1(O)CCOCC1 ZINC000634704228 372149351 /nfs/dbraw/zinc/14/93/51/372149351.db2.gz IGPHJMJTIAYPQA-GJZGRUSLSA-N 2 2 298.427 0.353 20 0 CCADLP O[C@H](C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1)CC1(O)CCOCC1 ZINC000634704228 372149358 /nfs/dbraw/zinc/14/93/58/372149358.db2.gz IGPHJMJTIAYPQA-GJZGRUSLSA-N 2 2 298.427 0.353 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC000634708607 372154167 /nfs/dbraw/zinc/15/41/67/372154167.db2.gz XDIAEIICACXNBY-BPLDGKMQSA-N 2 2 298.427 0.351 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC000634708607 372154172 /nfs/dbraw/zinc/15/41/72/372154172.db2.gz XDIAEIICACXNBY-BPLDGKMQSA-N 2 2 298.427 0.351 20 0 CCADLP COC[C@H](CO)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634720674 372165799 /nfs/dbraw/zinc/16/57/99/372165799.db2.gz NTJPRWDWHIJCFT-JKSUJKDBSA-N 2 2 294.395 0.220 20 0 CCADLP COC[C@H](CO)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634720674 372165804 /nfs/dbraw/zinc/16/58/04/372165804.db2.gz NTJPRWDWHIJCFT-JKSUJKDBSA-N 2 2 294.395 0.220 20 0 CCADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C[C@](C)(O)C2CC2)C1 ZINC000634723078 372170336 /nfs/dbraw/zinc/17/03/36/372170336.db2.gz ZPUCFRDEQJBYBG-ZNMIVQPWSA-N 2 2 270.417 0.972 20 0 CCADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)C[C@](C)(O)C2CC2)C1 ZINC000634723078 372170342 /nfs/dbraw/zinc/17/03/42/372170342.db2.gz ZPUCFRDEQJBYBG-ZNMIVQPWSA-N 2 2 270.417 0.972 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634763787 372210413 /nfs/dbraw/zinc/21/04/13/372210413.db2.gz CXHZVHLXUQNPJV-NWDGAFQWSA-N 3 2 270.421 0.160 20 0 CCADLP CN1CCCC[C@H]([N@H+](C)C[C@H](O)C[NH+](C)C2CC2)C1=O ZINC000634743930 372189790 /nfs/dbraw/zinc/18/97/90/372189790.db2.gz JBYFECQCDPVTDM-KGLIPLIRSA-N 2 2 283.416 0.384 20 0 CCADLP CN1CCCC[C@H]([N@@H+](C)C[C@H](O)C[NH+](C)C2CC2)C1=O ZINC000634743930 372189791 /nfs/dbraw/zinc/18/97/91/372189791.db2.gz JBYFECQCDPVTDM-KGLIPLIRSA-N 2 2 283.416 0.384 20 0 CCADLP CN1CCCC[C@H]([NH+](C)C[C@H](O)C[N@H+](C)C2CC2)C1=O ZINC000634743930 372189794 /nfs/dbraw/zinc/18/97/94/372189794.db2.gz JBYFECQCDPVTDM-KGLIPLIRSA-N 2 2 283.416 0.384 20 0 CCADLP CN1CCCC[C@H]([NH+](C)C[C@H](O)C[N@@H+](C)C2CC2)C1=O ZINC000634743930 372189798 /nfs/dbraw/zinc/18/97/98/372189798.db2.gz JBYFECQCDPVTDM-KGLIPLIRSA-N 2 2 283.416 0.384 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCO[C@@H](C(F)F)CC1 ZINC000634758648 372205025 /nfs/dbraw/zinc/20/50/25/372205025.db2.gz SLKPSEZGGRKRIH-GHMZBOCLSA-N 2 2 266.332 0.655 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCO[C@@H](C(F)F)CC1 ZINC000634758648 372205030 /nfs/dbraw/zinc/20/50/30/372205030.db2.gz SLKPSEZGGRKRIH-GHMZBOCLSA-N 2 2 266.332 0.655 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634758648 372205034 /nfs/dbraw/zinc/20/50/34/372205034.db2.gz SLKPSEZGGRKRIH-GHMZBOCLSA-N 2 2 266.332 0.655 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634758648 372205038 /nfs/dbraw/zinc/20/50/38/372205038.db2.gz SLKPSEZGGRKRIH-GHMZBOCLSA-N 2 2 266.332 0.655 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCO[C@@H](C(F)F)CC1)C1CC1 ZINC000634758289 372205863 /nfs/dbraw/zinc/20/58/63/372205863.db2.gz MFOAFBGVDRXZJG-VXGBXAGGSA-N 2 2 278.343 0.798 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCO[C@@H](C(F)F)CC1)C1CC1 ZINC000634758289 372205867 /nfs/dbraw/zinc/20/58/67/372205867.db2.gz MFOAFBGVDRXZJG-VXGBXAGGSA-N 2 2 278.343 0.798 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCO[C@@H](C(F)F)CC1)C1CC1 ZINC000634758289 372205870 /nfs/dbraw/zinc/20/58/70/372205870.db2.gz MFOAFBGVDRXZJG-VXGBXAGGSA-N 2 2 278.343 0.798 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCO[C@@H](C(F)F)CC1)C1CC1 ZINC000634758289 372205877 /nfs/dbraw/zinc/20/58/77/372205877.db2.gz MFOAFBGVDRXZJG-VXGBXAGGSA-N 2 2 278.343 0.798 20 0 CCADLP C[C@@H](O)[C@H]1CCN(c2cc(N3CCC[C@@H]([NH3+])C3)nc[nH+]2)C1 ZINC000634807920 372247024 /nfs/dbraw/zinc/24/70/24/372247024.db2.gz FPAXXKYARMSAPC-FRRDWIJNSA-N 2 2 291.399 0.611 20 0 CCADLP C[C@@H]1C[C@@H](Nc2cc(N3CCOCC3)nc[nH+]2)CC[NH2+]1 ZINC000634808631 372249035 /nfs/dbraw/zinc/24/90/35/372249035.db2.gz YDKYGPCEYPODAB-NEPJUHHUSA-N 2 2 277.372 0.866 20 0 CCADLP C[C@@H]1C[C@@H](Nc2cc(N3CCOCC3)[nH+]cn2)CC[NH2+]1 ZINC000634808631 372249042 /nfs/dbraw/zinc/24/90/42/372249042.db2.gz YDKYGPCEYPODAB-NEPJUHHUSA-N 2 2 277.372 0.866 20 0 CCADLP c1cn(-c2cc(N3CC[C@@H](N4CC[NH2+]CC4)C3)ncn2)c[nH+]1 ZINC000634809235 372252195 /nfs/dbraw/zinc/25/21/95/372252195.db2.gz NHGHDFADICLCGO-CYBMUJFWSA-N 2 2 299.382 0.146 20 0 CCADLP C[C@H]([NH3+])CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000634810308 372253784 /nfs/dbraw/zinc/25/37/84/372253784.db2.gz SBSOGLNSNPRGGZ-WDEREUQCSA-N 2 2 265.361 0.444 20 0 CCADLP Nc1c(NCCC[NH2+]C2CC2)[nH+]cnc1-n1cccn1 ZINC000634810700 372254967 /nfs/dbraw/zinc/25/49/67/372254967.db2.gz GALBEYBQGCEQTH-UHFFFAOYSA-N 2 2 273.344 0.799 20 0 CCADLP COCC[N@H+](C)CCC[NH2+][C@@H]1CCCS(=O)(=O)CC1 ZINC000634951610 372308360 /nfs/dbraw/zinc/30/83/60/372308360.db2.gz AYMIPVYLWOOZKS-CYBMUJFWSA-N 2 2 292.445 0.512 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCS(=O)(=O)CC1 ZINC000634951610 372308368 /nfs/dbraw/zinc/30/83/68/372308368.db2.gz AYMIPVYLWOOZKS-CYBMUJFWSA-N 2 2 292.445 0.512 20 0 CCADLP Cc1nc(N2CCN(CC34CC(C3)C[NH2+]4)CC2)cc[nH+]1 ZINC000634993739 372329229 /nfs/dbraw/zinc/32/92/29/372329229.db2.gz DSTRFKYCMUMRQX-UHFFFAOYSA-N 2 2 273.384 0.659 20 0 CCADLP C[NH+](C)CCN1CCC(C[NH2+]CC23CC(C2)C[NH2+]3)CC1 ZINC000634996396 372333276 /nfs/dbraw/zinc/33/32/76/372333276.db2.gz INOKMNOEYHULCL-UHFFFAOYSA-N 3 2 280.460 0.602 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635056837 372358434 /nfs/dbraw/zinc/35/84/34/372358434.db2.gz LKNZYXUTAWYNRI-ZDUSSCGKSA-N 2 2 251.374 0.777 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635056837 372358441 /nfs/dbraw/zinc/35/84/41/372358441.db2.gz LKNZYXUTAWYNRI-ZDUSSCGKSA-N 2 2 251.374 0.777 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@H]2CC[N@H+](C)C2)[nH+]1 ZINC000635400771 372490183 /nfs/dbraw/zinc/49/01/83/372490183.db2.gz YOHNKGPARVICBW-SNVBAGLBSA-N 2 2 250.346 0.583 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@H]2CC[N@@H+](C)C2)[nH+]1 ZINC000635400771 372490189 /nfs/dbraw/zinc/49/01/89/372490189.db2.gz YOHNKGPARVICBW-SNVBAGLBSA-N 2 2 250.346 0.583 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@@H]2CC[N@H+](CCOC)C2)[nH+]1 ZINC000635540360 372605866 /nfs/dbraw/zinc/60/58/66/372605866.db2.gz YJWUUOPDZGJGRA-GFCCVEGCSA-N 2 2 280.372 0.352 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@@H]2CC[N@@H+](CCOC)C2)[nH+]1 ZINC000635540360 372605872 /nfs/dbraw/zinc/60/58/72/372605872.db2.gz YJWUUOPDZGJGRA-GFCCVEGCSA-N 2 2 280.372 0.352 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1C[NH+](C)CCO1 ZINC000635712047 372799165 /nfs/dbraw/zinc/79/91/65/372799165.db2.gz LFQFSQYQHFPQQD-RWMBFGLXSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1C[NH+](C)CCO1 ZINC000635712047 372799170 /nfs/dbraw/zinc/79/91/70/372799170.db2.gz LFQFSQYQHFPQQD-RWMBFGLXSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCCC[NH+]1C)[C@H]1C[N@H+](C)CCO1 ZINC000635712047 372799174 /nfs/dbraw/zinc/79/91/74/372799174.db2.gz LFQFSQYQHFPQQD-RWMBFGLXSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCCC[NH+]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000635712047 372799179 /nfs/dbraw/zinc/79/91/79/372799179.db2.gz LFQFSQYQHFPQQD-RWMBFGLXSA-N 2 2 269.389 0.306 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)[nH+]1 ZINC000635712453 372801340 /nfs/dbraw/zinc/80/13/40/372801340.db2.gz PEIJITWGESAETI-ZYHUDNBSSA-N 2 2 280.372 0.350 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)[nH+]1 ZINC000635712453 372801346 /nfs/dbraw/zinc/80/13/46/372801346.db2.gz PEIJITWGESAETI-ZYHUDNBSSA-N 2 2 280.372 0.350 20 0 CCADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000635714580 372804590 /nfs/dbraw/zinc/80/45/90/372804590.db2.gz CPHYOMOTVCYMKC-WDEREUQCSA-N 2 2 262.357 0.725 20 0 CCADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000635714580 372804597 /nfs/dbraw/zinc/80/45/97/372804597.db2.gz CPHYOMOTVCYMKC-WDEREUQCSA-N 2 2 262.357 0.725 20 0 CCADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000635714580 372804599 /nfs/dbraw/zinc/80/45/99/372804599.db2.gz CPHYOMOTVCYMKC-WDEREUQCSA-N 2 2 262.357 0.725 20 0 CCADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000635714580 372804606 /nfs/dbraw/zinc/80/46/06/372804606.db2.gz CPHYOMOTVCYMKC-WDEREUQCSA-N 2 2 262.357 0.725 20 0 CCADLP [NH3+]CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000237972772 189895772 /nfs/dbraw/zinc/89/57/72/189895772.db2.gz FMSCCUZYUHHZKZ-ZDUSSCGKSA-N 2 2 263.341 0.135 20 0 CCADLP CN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635768528 372881329 /nfs/dbraw/zinc/88/13/29/372881329.db2.gz MVQHIISFRYTADE-GHMZBOCLSA-N 2 2 250.346 0.923 20 0 CCADLP CN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635768528 372881338 /nfs/dbraw/zinc/88/13/38/372881338.db2.gz MVQHIISFRYTADE-GHMZBOCLSA-N 2 2 250.346 0.923 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635789465 372911731 /nfs/dbraw/zinc/91/17/31/372911731.db2.gz MGWSAUPCCRBTNM-NSHDSACASA-N 2 2 250.346 0.421 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635789465 372911739 /nfs/dbraw/zinc/91/17/39/372911739.db2.gz MGWSAUPCCRBTNM-NSHDSACASA-N 2 2 250.346 0.421 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@@H](C)[NH+](C)C)CC2)cc[nH+]1 ZINC000635798672 372924998 /nfs/dbraw/zinc/92/49/98/372924998.db2.gz SJFMUUCGRLYHPD-LLVKDONJSA-N 2 2 277.372 0.384 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CCCOCC1 ZINC000635835435 372979530 /nfs/dbraw/zinc/97/95/30/372979530.db2.gz MPAVRNFYFRMRMK-ZDUSSCGKSA-N 2 2 269.389 0.309 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CCCOCC1 ZINC000635835435 372979537 /nfs/dbraw/zinc/97/95/37/372979537.db2.gz MPAVRNFYFRMRMK-ZDUSSCGKSA-N 2 2 269.389 0.309 20 0 CCADLP C[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000635835435 372979545 /nfs/dbraw/zinc/97/95/45/372979545.db2.gz MPAVRNFYFRMRMK-ZDUSSCGKSA-N 2 2 269.389 0.309 20 0 CCADLP C[NH+]1CCCC[C@H]1C(=O)NCC[N@H+]1CCCOCC1 ZINC000635835435 372979553 /nfs/dbraw/zinc/97/95/53/372979553.db2.gz MPAVRNFYFRMRMK-ZDUSSCGKSA-N 2 2 269.389 0.309 20 0 CCADLP Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)[C@@H](C)[NH+](C)C)C2 ZINC000635914988 373099621 /nfs/dbraw/zinc/09/96/21/373099621.db2.gz RRFWNPIRRSSWEJ-ZYHUDNBSSA-N 2 2 294.399 0.107 20 0 CCADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635987680 373210395 /nfs/dbraw/zinc/21/03/95/373210395.db2.gz XNNXSUUHUUWQNN-BXUZGUMPSA-N 2 2 274.368 0.941 20 0 CCADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635987680 373210397 /nfs/dbraw/zinc/21/03/97/373210397.db2.gz XNNXSUUHUUWQNN-BXUZGUMPSA-N 2 2 274.368 0.941 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635984348 373205288 /nfs/dbraw/zinc/20/52/88/373205288.db2.gz SJUMUUYMDZZHMV-UHFFFAOYSA-N 2 2 294.399 0.878 20 0 CCADLP CN(C)c1nc(N2CCN(c3[nH]cc[nH+]3)CC2)cc[nH+]1 ZINC000574448192 335020129 /nfs/dbraw/zinc/02/01/29/335020129.db2.gz XVQWOUSGLISWIB-UHFFFAOYSA-N 2 2 273.344 0.592 20 0 CCADLP C[N@H+](CCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CCCC1 ZINC000636734828 373729941 /nfs/dbraw/zinc/72/99/41/373729941.db2.gz OUJUDKLGZXHXBP-GFCCVEGCSA-N 2 2 291.399 0.981 20 0 CCADLP C[N@@H+](CCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CCCC1 ZINC000636734828 373729949 /nfs/dbraw/zinc/72/99/49/373729949.db2.gz OUJUDKLGZXHXBP-GFCCVEGCSA-N 2 2 291.399 0.981 20 0 CCADLP CCCC[N@H+](C)CCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636774116 373751962 /nfs/dbraw/zinc/75/19/62/373751962.db2.gz JJMUROSSGCDQEA-LBPRGKRZSA-N 2 2 279.388 0.839 20 0 CCADLP CCCC[N@@H+](C)CCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636774116 373751969 /nfs/dbraw/zinc/75/19/69/373751969.db2.gz JJMUROSSGCDQEA-LBPRGKRZSA-N 2 2 279.388 0.839 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)c2[nH+]ccn21 ZINC000637197281 373997112 /nfs/dbraw/zinc/99/71/12/373997112.db2.gz HVFACGSJEOIQGD-SDDRHHMPSA-N 2 2 293.371 0.255 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)c2[nH+]ccn21 ZINC000637197281 373997121 /nfs/dbraw/zinc/99/71/21/373997121.db2.gz HVFACGSJEOIQGD-SDDRHHMPSA-N 2 2 293.371 0.255 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000637444366 374167998 /nfs/dbraw/zinc/16/79/98/374167998.db2.gz QWSVDLHVSLULNN-RDBSUJKOSA-N 2 2 296.415 0.053 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000637444366 374168001 /nfs/dbraw/zinc/16/80/01/374168001.db2.gz QWSVDLHVSLULNN-RDBSUJKOSA-N 2 2 296.415 0.053 20 0 CCADLP C[NH+]1CC[C@@H]2CCN(C(=O)NC[C@H]3COCC[N@@H+]3C)[C@H]2C1 ZINC000637444366 374168007 /nfs/dbraw/zinc/16/80/07/374168007.db2.gz QWSVDLHVSLULNN-RDBSUJKOSA-N 2 2 296.415 0.053 20 0 CCADLP C[NH+]1CC[C@@H]2CCN(C(=O)NC[C@H]3COCC[N@H+]3C)[C@H]2C1 ZINC000637444366 374168011 /nfs/dbraw/zinc/16/80/11/374168011.db2.gz QWSVDLHVSLULNN-RDBSUJKOSA-N 2 2 296.415 0.053 20 0 CCADLP CN(CC[NH+]1CCCC1)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637449125 374175696 /nfs/dbraw/zinc/17/56/96/374175696.db2.gz YCWHQQKDDSHVLZ-CYBMUJFWSA-N 2 2 284.404 0.054 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C1)c1cc(-n2cc[nH+]c2)ccc1O ZINC000637811025 374344772 /nfs/dbraw/zinc/34/47/72/374344772.db2.gz IEIMRCZLSZIKKA-JTQLQIEISA-N 2 2 272.308 0.670 20 0 CCADLP [NH3+][C@@H]1CCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000637803035 374331150 /nfs/dbraw/zinc/33/11/50/374331150.db2.gz XDWXMBCHWUFEMG-BDAKNGLRSA-N 2 2 276.262 0.936 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ccncc1 ZINC000656543883 412820799 /nfs/dbraw/zinc/82/07/99/412820799.db2.gz VAPGESKAWXKTPR-UHFFFAOYSA-N 2 2 293.415 0.764 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ccncc1 ZINC000656543883 412820805 /nfs/dbraw/zinc/82/08/05/412820805.db2.gz VAPGESKAWXKTPR-UHFFFAOYSA-N 2 2 293.415 0.764 20 0 CCADLP COC[C@@]1(C(=O)Nc2ccc(N)[nH+]c2)CCCC[NH2+]1 ZINC000637829448 374370823 /nfs/dbraw/zinc/37/08/23/374370823.db2.gz KXEAZUAMDQALID-CYBMUJFWSA-N 2 2 264.329 0.591 20 0 CCADLP Cc1n[nH]c(C)c1CCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000637867187 374433111 /nfs/dbraw/zinc/43/31/11/374433111.db2.gz SMVJVBQHXBWSER-LBPRGKRZSA-N 2 2 279.388 0.060 20 0 CCADLP Cc1n[nH]c(C)c1CCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000637867187 374433116 /nfs/dbraw/zinc/43/31/16/374433116.db2.gz SMVJVBQHXBWSER-LBPRGKRZSA-N 2 2 279.388 0.060 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)[C@H](C[NH3+])C1 ZINC000637864150 374425839 /nfs/dbraw/zinc/42/58/39/374425839.db2.gz NLUVJFSMZPXOTF-HZSPNIEDSA-N 2 2 281.400 0.150 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)[C@H](C[NH3+])C1 ZINC000637864150 374425847 /nfs/dbraw/zinc/42/58/47/374425847.db2.gz NLUVJFSMZPXOTF-HZSPNIEDSA-N 2 2 281.400 0.150 20 0 CCADLP CC[NH+]1CCC(N(C)Cc2c[nH+]c(N)nc2N)CC1 ZINC000637887524 374450465 /nfs/dbraw/zinc/45/04/65/374450465.db2.gz UZEDEGYPKNCMOS-UHFFFAOYSA-N 2 2 264.377 0.218 20 0 CCADLP CC(C)(CNC(=O)C1=CC[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000638048780 374591438 /nfs/dbraw/zinc/59/14/38/374591438.db2.gz HBQJGWSBWFKZJV-LBPRGKRZSA-N 2 2 267.373 0.261 20 0 CCADLP C[NH+]1CCN(C[C@H]2C[N@H+](CCC[C@@H]3CCO3)CCO2)CC1 ZINC000638053115 374596421 /nfs/dbraw/zinc/59/64/21/374596421.db2.gz QOVPELHWGLUXIL-HZPDHXFCSA-N 2 2 297.443 0.504 20 0 CCADLP C[NH+]1CCN(C[C@H]2C[N@@H+](CCC[C@@H]3CCO3)CCO2)CC1 ZINC000638053115 374596437 /nfs/dbraw/zinc/59/64/37/374596437.db2.gz QOVPELHWGLUXIL-HZPDHXFCSA-N 2 2 297.443 0.504 20 0 CCADLP COCC[NH+]1CCN(C(=O)c2oc(C[NH3+])cc2C)CC1 ZINC000638054571 374599377 /nfs/dbraw/zinc/59/93/77/374599377.db2.gz FELYLUSJKDROQF-UHFFFAOYSA-N 2 2 281.356 0.451 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000334211596 206196968 /nfs/dbraw/zinc/19/69/68/206196968.db2.gz ZAIZPWOYTRBDSW-CYBMUJFWSA-N 2 2 277.368 0.876 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000334211596 206196973 /nfs/dbraw/zinc/19/69/73/206196973.db2.gz ZAIZPWOYTRBDSW-CYBMUJFWSA-N 2 2 277.368 0.876 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638073166 374627307 /nfs/dbraw/zinc/62/73/07/374627307.db2.gz LXUWMRQFWBOJGU-AAEUAGOBSA-N 2 2 266.345 0.143 20 0 CCADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000638088830 374649325 /nfs/dbraw/zinc/64/93/25/374649325.db2.gz PZRKTFFMIFYMPO-DZGCQCFKSA-N 2 2 292.383 0.814 20 0 CCADLP C[C@H](C[NH3+])CNC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000638143218 374714431 /nfs/dbraw/zinc/71/44/31/374714431.db2.gz GVWWXOXJOAHHBI-SNVBAGLBSA-N 2 2 274.324 0.903 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000638230392 374822550 /nfs/dbraw/zinc/82/25/50/374822550.db2.gz KFRHBDWVVQOZBW-GMOODISLSA-N 2 2 250.346 0.763 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000638230392 374822554 /nfs/dbraw/zinc/82/25/54/374822554.db2.gz KFRHBDWVVQOZBW-GMOODISLSA-N 2 2 250.346 0.763 20 0 CCADLP Cn1c2cc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)ccc2oc1=O ZINC000638185825 374770678 /nfs/dbraw/zinc/77/06/78/374770678.db2.gz CFOVIHPPDOBVHQ-VXGBXAGGSA-N 2 2 273.336 0.783 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)[nH+]1 ZINC000638201725 374783004 /nfs/dbraw/zinc/78/30/04/374783004.db2.gz XEMPKLMCUOEFFM-KOLCDFICSA-N 2 2 250.346 0.901 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)[nH+]1 ZINC000638269420 374869892 /nfs/dbraw/zinc/86/98/92/374869892.db2.gz OKEBEFUGKBZZFU-GXSJLCMTSA-N 2 2 250.346 0.758 20 0 CCADLP O=C(CCC1C[NH2+]C1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000638273130 374876014 /nfs/dbraw/zinc/87/60/14/374876014.db2.gz XZDBHJZMVSOEHU-UHFFFAOYSA-N 2 2 288.395 0.725 20 0 CCADLP CCc1c[nH]c(CC(=O)N(C)[C@@H](C[NH3+])C2CC2)[nH+]1 ZINC000638330041 374930435 /nfs/dbraw/zinc/93/04/35/374930435.db2.gz ZLLFBARXBLSDSO-NSHDSACASA-N 2 2 250.346 0.710 20 0 CCADLP COCC[N@H+](C)CCC[NH2+]Cc1cc2c(cn1)OCCO2 ZINC000638359270 374957993 /nfs/dbraw/zinc/95/79/93/374957993.db2.gz IASRXCZGIZWGEE-UHFFFAOYSA-N 2 2 295.383 0.911 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+]Cc1cc2c(cn1)OCCO2 ZINC000638359270 374957998 /nfs/dbraw/zinc/95/79/98/374957998.db2.gz IASRXCZGIZWGEE-UHFFFAOYSA-N 2 2 295.383 0.911 20 0 CCADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000638403435 375000465 /nfs/dbraw/zinc/00/04/65/375000465.db2.gz TVVOXQDKJKOGHR-ZYHUDNBSSA-N 2 2 252.318 0.135 20 0 CCADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000638403435 375000472 /nfs/dbraw/zinc/00/04/72/375000472.db2.gz TVVOXQDKJKOGHR-ZYHUDNBSSA-N 2 2 252.318 0.135 20 0 CCADLP C[C@H]1CCC[C@@](CNCc2c[nH+]c(N)nc2N)([NH+](C)C)C1 ZINC000638411712 375008480 /nfs/dbraw/zinc/00/84/80/375008480.db2.gz PNLTTYYBMSSZQC-XHDPSFHLSA-N 2 2 292.431 0.902 20 0 CCADLP COC[C@@]1(C(=O)N[C@H](C)c2[nH+]ccn2C)CCCC[NH2+]1 ZINC000638429654 375028261 /nfs/dbraw/zinc/02/82/61/375028261.db2.gz MLHWDZROVPQMPP-BXUZGUMPSA-N 2 2 280.372 0.756 20 0 CCADLP COC[C@]1(C(=O)N[C@H](C)c2[nH+]ccn2C)CCCC[NH2+]1 ZINC000638429656 375028473 /nfs/dbraw/zinc/02/84/73/375028473.db2.gz MLHWDZROVPQMPP-RISCZKNCSA-N 2 2 280.372 0.756 20 0 CCADLP Nc1ncc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(N)n1 ZINC000638376352 374972008 /nfs/dbraw/zinc/97/20/08/374972008.db2.gz JONPCAMOCYBOCA-WDEREUQCSA-N 2 2 262.361 0.018 20 0 CCADLP Nc1ncc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(N)n1 ZINC000638376352 374972013 /nfs/dbraw/zinc/97/20/13/374972013.db2.gz JONPCAMOCYBOCA-WDEREUQCSA-N 2 2 262.361 0.018 20 0 CCADLP CCO[C@@H]1C[C@H]([NH2+]CC[N@H+](C)CCOC)[C@]12CCCO2 ZINC000638481336 375074264 /nfs/dbraw/zinc/07/42/64/375074264.db2.gz GSVIDQWGTJVYIR-RRFJBIMHSA-N 2 2 286.416 0.881 20 0 CCADLP CCO[C@@H]1C[C@H]([NH2+]CC[N@@H+](C)CCOC)[C@]12CCCO2 ZINC000638481336 375074272 /nfs/dbraw/zinc/07/42/72/375074272.db2.gz GSVIDQWGTJVYIR-RRFJBIMHSA-N 2 2 286.416 0.881 20 0 CCADLP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC000638441982 375044636 /nfs/dbraw/zinc/04/46/36/375044636.db2.gz MODLXVYENKSBNX-ZHSDAYTOSA-N 2 2 260.341 0.853 20 0 CCADLP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC000638441982 375044644 /nfs/dbraw/zinc/04/46/44/375044644.db2.gz MODLXVYENKSBNX-ZHSDAYTOSA-N 2 2 260.341 0.853 20 0 CCADLP Cc1cc(NCCNC(=O)CC[NH3+])nc(C(C)C)[nH+]1 ZINC000638584594 375164969 /nfs/dbraw/zinc/16/49/69/375164969.db2.gz URBPPNAFOCPWGQ-UHFFFAOYSA-N 2 2 265.361 0.207 20 0 CCADLP Cc1cc(NCCNC(=O)CCCC[NH3+])nc(C(C)C)[nH+]1 ZINC000638584627 375166348 /nfs/dbraw/zinc/16/63/48/375166348.db2.gz VVLHPPJQHZONAS-UHFFFAOYSA-N 2 2 293.415 0.987 20 0 CCADLP C[NH2+]CCOCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000638594332 375175340 /nfs/dbraw/zinc/17/53/40/375175340.db2.gz GLEJSHMRYLEZQI-GHMZBOCLSA-N 2 2 266.345 0.208 20 0 CCADLP C[NH2+]CCOCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000638594332 375175349 /nfs/dbraw/zinc/17/53/49/375175349.db2.gz GLEJSHMRYLEZQI-GHMZBOCLSA-N 2 2 266.345 0.208 20 0 CCADLP c1cc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)sn1 ZINC000638595516 375177485 /nfs/dbraw/zinc/17/74/85/375177485.db2.gz BPUABEZELFTOEP-CYBMUJFWSA-N 2 2 296.440 0.639 20 0 CCADLP C[C@H](CC(=O)NC[C@@H]1COCC[N@@H+]1C)C1CC[NH2+]CC1 ZINC000638612284 375193590 /nfs/dbraw/zinc/19/35/90/375193590.db2.gz UARVDJDIJHRTBB-TZMCWYRMSA-N 2 2 283.416 0.459 20 0 CCADLP C[C@H](CC(=O)NC[C@@H]1COCC[N@H+]1C)C1CC[NH2+]CC1 ZINC000638612284 375193594 /nfs/dbraw/zinc/19/35/94/375193594.db2.gz UARVDJDIJHRTBB-TZMCWYRMSA-N 2 2 283.416 0.459 20 0 CCADLP C[C@H](C[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1)C[NH+]1CCOCC1 ZINC000638675031 375278998 /nfs/dbraw/zinc/27/89/98/375278998.db2.gz QQBRREIBRWBJIY-KFWWJZLASA-N 2 2 297.443 0.992 20 0 CCADLP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC000638731609 375325877 /nfs/dbraw/zinc/32/58/77/375325877.db2.gz FYWJFAADLMMLGY-FKGLVLAHSA-N 2 2 274.368 0.971 20 0 CCADLP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC000638731609 375325884 /nfs/dbraw/zinc/32/58/84/375325884.db2.gz FYWJFAADLMMLGY-FKGLVLAHSA-N 2 2 274.368 0.971 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC(C)(C)C(=O)N1CCCC1 ZINC000638685910 375293736 /nfs/dbraw/zinc/29/37/36/375293736.db2.gz KIEZQCDAYUYICF-LBPRGKRZSA-N 2 2 298.431 0.030 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCNC(=O)C2)C[N@@H+]1C1CC1 ZINC000638758936 375339252 /nfs/dbraw/zinc/33/92/52/375339252.db2.gz GIILDWFQBQJXIC-IJLUTSLNSA-N 2 2 251.374 0.870 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCNC(=O)C2)C[N@H+]1C1CC1 ZINC000638758936 375339257 /nfs/dbraw/zinc/33/92/57/375339257.db2.gz GIILDWFQBQJXIC-IJLUTSLNSA-N 2 2 251.374 0.870 20 0 CCADLP CC[C@@H]([NH3+])C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638985035 375497566 /nfs/dbraw/zinc/49/75/66/375497566.db2.gz XSABOFAAIFCZFN-LLVKDONJSA-N 3 2 263.345 0.167 20 0 CCADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@@H]1CCCC[NH2+]1 ZINC000638986862 375500417 /nfs/dbraw/zinc/50/04/17/375500417.db2.gz FPKWIRLEWHAQQP-ZDUSSCGKSA-N 3 2 289.383 0.572 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H](C1CCC1)[C@@H]1CCCO1 ZINC000638997187 375507351 /nfs/dbraw/zinc/50/73/51/375507351.db2.gz ANTALGDRDFXQJY-MELADBBJSA-N 2 2 283.416 0.729 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639018912 375523932 /nfs/dbraw/zinc/52/39/32/375523932.db2.gz ABWZVBDSWHWLHO-YPMHNXCESA-N 2 2 262.357 0.861 20 0 CCADLP CO[C@H](C[NH2+][C@H]1CCn2cc[nH+]c2C1)[C@@H]1CCOC1 ZINC000639072651 375560664 /nfs/dbraw/zinc/56/06/64/375560664.db2.gz YHEUWDDODJVKHA-FRRDWIJNSA-N 2 2 265.357 0.839 20 0 CCADLP CO[C@H](C[NH2+][C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCOC1 ZINC000639072652 375561104 /nfs/dbraw/zinc/56/11/04/375561104.db2.gz YHEUWDDODJVKHA-JHJVBQTASA-N 2 2 265.357 0.839 20 0 CCADLP C[NH+](C)[C@H]1CCN(Cc2cc3c(c[nH+]2)OCCO3)C1 ZINC000639173177 375619171 /nfs/dbraw/zinc/61/91/71/375619171.db2.gz VVCHVVXTSAYOCN-LBPRGKRZSA-N 2 2 263.341 0.989 20 0 CCADLP CO[C@H](C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO)[C@@H]1CCOC1 ZINC000639217633 375639093 /nfs/dbraw/zinc/63/90/93/375639093.db2.gz INDDITYVJVALRV-QLFBSQMISA-N 2 2 286.416 0.474 20 0 CCADLP CO[C@H](C[NH2+]C[C@@H]1CCC[N@H+]1CCCO)[C@@H]1CCOC1 ZINC000639217633 375639102 /nfs/dbraw/zinc/63/91/02/375639102.db2.gz INDDITYVJVALRV-QLFBSQMISA-N 2 2 286.416 0.474 20 0 CCADLP CO[C@@H](C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO)C1CC1 ZINC000639218479 375639988 /nfs/dbraw/zinc/63/99/88/375639988.db2.gz KFZXBNPEVWHYCK-KBPBESRZSA-N 2 2 256.390 0.848 20 0 CCADLP CO[C@@H](C[NH2+]C[C@@H]1CCCC[N@H+]1CCO)C1CC1 ZINC000639218479 375639992 /nfs/dbraw/zinc/63/99/92/375639992.db2.gz KFZXBNPEVWHYCK-KBPBESRZSA-N 2 2 256.390 0.848 20 0 CCADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]CCC[C@@H]1CCO1 ZINC000639219939 375643568 /nfs/dbraw/zinc/64/35/68/375643568.db2.gz YWWAQUSMDGXDRY-UONOGXRCSA-N 2 2 256.390 0.992 20 0 CCADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]CCC[C@@H]1CCO1 ZINC000639219939 375643573 /nfs/dbraw/zinc/64/35/73/375643573.db2.gz YWWAQUSMDGXDRY-UONOGXRCSA-N 2 2 256.390 0.992 20 0 CCADLP CC(C)(C[NH2+]C[C@H]1CCC[N@@H+]1CCCO)N1CCOCC1 ZINC000639219593 375643853 /nfs/dbraw/zinc/64/38/53/375643853.db2.gz VBCGHVYJYVQERE-OAHLLOKOSA-N 2 2 299.459 0.534 20 0 CCADLP CC(C)(C[NH2+]C[C@H]1CCC[N@H+]1CCCO)N1CCOCC1 ZINC000639219593 375643857 /nfs/dbraw/zinc/64/38/57/375643857.db2.gz VBCGHVYJYVQERE-OAHLLOKOSA-N 2 2 299.459 0.534 20 0 CCADLP COc1cc(C)[nH+]c(CN2CC[N@H+](C)C[C@@H]2CO)c1 ZINC000639336016 375736664 /nfs/dbraw/zinc/73/66/64/375736664.db2.gz CVGYDTSHDDOSOM-CYBMUJFWSA-N 2 2 265.357 0.507 20 0 CCADLP COc1cc(C)[nH+]c(CN2CC[N@@H+](C)C[C@@H]2CO)c1 ZINC000639336016 375736672 /nfs/dbraw/zinc/73/66/72/375736672.db2.gz CVGYDTSHDDOSOM-CYBMUJFWSA-N 2 2 265.357 0.507 20 0 CCADLP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000639357605 375756768 /nfs/dbraw/zinc/75/67/68/375756768.db2.gz PCJCZYXVAHHYQT-AGIUHOORSA-N 2 2 269.389 0.090 20 0 CCADLP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000639357605 375756771 /nfs/dbraw/zinc/75/67/71/375756771.db2.gz PCJCZYXVAHHYQT-AGIUHOORSA-N 2 2 269.389 0.090 20 0 CCADLP O=c1c(C[NH2+]CC[N@H+]2CC[C@@H](O)C2)cccn1C(F)F ZINC000639355554 375755045 /nfs/dbraw/zinc/75/50/45/375755045.db2.gz VHJDLWSKAARHPN-LLVKDONJSA-N 2 2 287.310 0.400 20 0 CCADLP O=c1c(C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)cccn1C(F)F ZINC000639355554 375755052 /nfs/dbraw/zinc/75/50/52/375755052.db2.gz VHJDLWSKAARHPN-LLVKDONJSA-N 2 2 287.310 0.400 20 0 CCADLP O=C1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCCN1 ZINC000639328947 375728424 /nfs/dbraw/zinc/72/84/24/375728424.db2.gz USLRRCZIADZREO-KGLIPLIRSA-N 2 2 281.400 0.498 20 0 CCADLP Cn1ccnc1CN1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000639481474 375802192 /nfs/dbraw/zinc/80/21/92/375802192.db2.gz VVFWQQKGCVZRFT-UHFFFAOYSA-N 2 2 288.399 0.514 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000639470000 375793109 /nfs/dbraw/zinc/79/31/09/375793109.db2.gz FRRPFWALXGJUSV-LBPRGKRZSA-N 2 2 264.373 0.940 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000639470000 375793113 /nfs/dbraw/zinc/79/31/13/375793113.db2.gz FRRPFWALXGJUSV-LBPRGKRZSA-N 2 2 264.373 0.940 20 0 CCADLP CNC(=O)[C@]1(C)CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000639623369 375868635 /nfs/dbraw/zinc/86/86/35/375868635.db2.gz KIRYNGWSWZXMJY-CYBMUJFWSA-N 2 2 250.346 0.421 20 0 CCADLP CNC(=O)[C@]1(C)CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000639623369 375868638 /nfs/dbraw/zinc/86/86/38/375868638.db2.gz KIRYNGWSWZXMJY-CYBMUJFWSA-N 2 2 250.346 0.421 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000639728505 375955516 /nfs/dbraw/zinc/95/55/16/375955516.db2.gz HNADMPNBQKDBPU-CYBMUJFWSA-N 2 2 278.404 0.801 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000639728505 375955520 /nfs/dbraw/zinc/95/55/20/375955520.db2.gz HNADMPNBQKDBPU-CYBMUJFWSA-N 2 2 278.404 0.801 20 0 CCADLP C[C@@H](C[NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000261588487 190041049 /nfs/dbraw/zinc/04/10/49/190041049.db2.gz KFXVUTAJAKTSBZ-ZFWWWQNUSA-N 2 2 291.395 0.598 20 0 CCADLP C[C@@H](C[NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000261588487 190041050 /nfs/dbraw/zinc/04/10/50/190041050.db2.gz KFXVUTAJAKTSBZ-ZFWWWQNUSA-N 2 2 291.395 0.598 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764465 375992336 /nfs/dbraw/zinc/99/23/36/375992336.db2.gz ZZAGSBPSARAVHF-HNNXBMFYSA-N 3 2 280.416 0.970 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764465 375992342 /nfs/dbraw/zinc/99/23/42/375992342.db2.gz ZZAGSBPSARAVHF-HNNXBMFYSA-N 3 2 280.416 0.970 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCO[C@@H]2CCCCO2)C1 ZINC000639762127 375986862 /nfs/dbraw/zinc/98/68/62/375986862.db2.gz GNSKJUOIXPHGJV-CABCVRRESA-N 2 2 286.416 0.918 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCO[C@@H]2CCCCO2)C1 ZINC000639762127 375986872 /nfs/dbraw/zinc/98/68/72/375986872.db2.gz GNSKJUOIXPHGJV-CABCVRRESA-N 2 2 286.416 0.918 20 0 CCADLP C[NH2+][C@@H](C(=O)N1CC[NH+](CC2CC2)CC1)c1cnn(C)c1 ZINC000262359111 190053271 /nfs/dbraw/zinc/05/32/71/190053271.db2.gz KDMAGPSGIVPHOF-CQSZACIVSA-N 2 2 291.399 0.235 20 0 CCADLP CO[C@@H]1C[N@H+](CCc2c[nH+]cn2C)[C@](C)(CO)C1 ZINC000640007321 376186366 /nfs/dbraw/zinc/18/63/66/376186366.db2.gz ZWMZBKVCPBNHJL-STQMWFEESA-N 2 2 253.346 0.434 20 0 CCADLP CO[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)[C@](C)(CO)C1 ZINC000640007321 376186372 /nfs/dbraw/zinc/18/63/72/376186372.db2.gz ZWMZBKVCPBNHJL-STQMWFEESA-N 2 2 253.346 0.434 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(C)(F)CC2)CC1 ZINC000640070462 376226215 /nfs/dbraw/zinc/22/62/15/376226215.db2.gz IEZQCCIMVFYNSE-UHFFFAOYSA-N 2 2 257.353 0.584 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)CC1 ZINC000640095460 376233545 /nfs/dbraw/zinc/23/35/45/376233545.db2.gz NKLBZHUFPIMTLW-KFWWJZLASA-N 2 2 295.427 0.386 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)CC1 ZINC000640095460 376233549 /nfs/dbraw/zinc/23/35/49/376233549.db2.gz NKLBZHUFPIMTLW-KFWWJZLASA-N 2 2 295.427 0.386 20 0 CCADLP O=C(N[C@H](CO)C[NH+]1CCCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000640321770 376311744 /nfs/dbraw/zinc/31/17/44/376311744.db2.gz KKMOQHDFEUXXTG-STQMWFEESA-N 2 2 292.383 0.018 20 0 CCADLP COCC1(O)C[NH+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000656810937 412853313 /nfs/dbraw/zinc/85/33/13/412853313.db2.gz FRSFAVIHASNKDS-UHFFFAOYSA-N 2 2 294.395 0.820 20 0 CCADLP O[C@@H](CNc1[nH+]cnc2[nH]ccc21)C[NH+]1CCOCC1 ZINC000263782772 190078655 /nfs/dbraw/zinc/07/86/55/190078655.db2.gz LYYFECYOPPTGEJ-JTQLQIEISA-N 2 2 277.328 0.063 20 0 CCADLP CC[NH+](CC)CCCNC(=O)NCc1[nH+]ccn1C ZINC000264051068 190090620 /nfs/dbraw/zinc/09/06/20/190090620.db2.gz MITRIYSNDWOPHR-UHFFFAOYSA-N 2 2 267.377 0.951 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1[nH+]ccn1C ZINC000264146791 190092435 /nfs/dbraw/zinc/09/24/35/190092435.db2.gz GGTICEAAVUEPAY-LLVKDONJSA-N 2 2 250.346 0.911 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCc1[nH+]ccn1C ZINC000264146791 190092436 /nfs/dbraw/zinc/09/24/36/190092436.db2.gz GGTICEAAVUEPAY-LLVKDONJSA-N 2 2 250.346 0.911 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000264134275 190092551 /nfs/dbraw/zinc/09/25/51/190092551.db2.gz YUNPGKQIZMGHBS-UHFFFAOYSA-N 2 2 295.387 0.330 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000264249654 190099600 /nfs/dbraw/zinc/09/96/00/190099600.db2.gz YPMPJAFOXBLXRD-NSHDSACASA-N 2 2 277.372 0.704 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000264249654 190099601 /nfs/dbraw/zinc/09/96/01/190099601.db2.gz YPMPJAFOXBLXRD-NSHDSACASA-N 2 2 277.372 0.704 20 0 CCADLP Nc1cc(Cn2cc(C[NH+]3CCCC3)nn2)cc[nH+]1 ZINC000641068534 376736712 /nfs/dbraw/zinc/73/67/12/376736712.db2.gz PUVDQZMTFFECES-UHFFFAOYSA-N 2 2 258.329 0.730 20 0 CCADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@H]1CCC[NH2+]CC1 ZINC000641076284 376744627 /nfs/dbraw/zinc/74/46/27/376744627.db2.gz RHVSDISINLKHLY-MELADBBJSA-N 2 2 296.415 0.291 20 0 CCADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@H]1CCC[NH2+]CC1 ZINC000641076284 376744636 /nfs/dbraw/zinc/74/46/36/376744636.db2.gz RHVSDISINLKHLY-MELADBBJSA-N 2 2 296.415 0.291 20 0 CCADLP Cc1cc(-n2cc[nH+]c2)ccc1Cn1cc([C@H]([NH3+])CO)nn1 ZINC000641163759 376830241 /nfs/dbraw/zinc/83/02/41/376830241.db2.gz CIRPWGOEGSDJEQ-CQSZACIVSA-N 2 2 298.350 0.813 20 0 CCADLP CNC(=O)C[NH+]1CCC(Nc2cc[nH+]cc2F)CC1 ZINC000641286179 376965185 /nfs/dbraw/zinc/96/51/85/376965185.db2.gz SRSNIRKERPNQLQ-UHFFFAOYSA-N 2 2 266.320 0.265 20 0 CCADLP O=S(=O)(CCn1cc[nH+]c1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000641356124 377030185 /nfs/dbraw/zinc/03/01/85/377030185.db2.gz ORZVZVMHOLMINX-CYBMUJFWSA-N 2 2 296.396 0.159 20 0 CCADLP O=S(=O)(CCn1cc[nH+]c1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000641356125 377031158 /nfs/dbraw/zinc/03/11/58/377031158.db2.gz ORZVZVMHOLMINX-ZDUSSCGKSA-N 2 2 296.396 0.159 20 0 CCADLP C[C@@H](CNS(=O)(=O)CCn1cc[nH+]c1)C[NH+](C)C ZINC000641508370 377194161 /nfs/dbraw/zinc/19/41/61/377194161.db2.gz OPLJARWSKKVBPJ-NSHDSACASA-N 2 2 274.390 0.000 20 0 CCADLP O=C(NCCn1cc[nH+]c1)NCC[NH+]1CCSCC1 ZINC000264812172 190136284 /nfs/dbraw/zinc/13/62/84/190136284.db2.gz GJFSGCYSJAZRTP-UHFFFAOYSA-N 2 2 283.401 0.231 20 0 CCADLP C[C@@H]1C[N@H+](CCCNc2cc(CO)cc[nH+]2)CCCO1 ZINC000641537607 377239147 /nfs/dbraw/zinc/23/91/47/377239147.db2.gz OALYUJGFSWNDMK-CYBMUJFWSA-N 2 2 279.384 0.909 20 0 CCADLP C[C@@H]1C[N@@H+](CCCNc2cc(CO)cc[nH+]2)CCCO1 ZINC000641537607 377239153 /nfs/dbraw/zinc/23/91/53/377239153.db2.gz OALYUJGFSWNDMK-CYBMUJFWSA-N 2 2 279.384 0.909 20 0 CCADLP C[N@H+](CCNC(=O)NCCNc1cccc[nH+]1)C1CC1 ZINC000264907933 190143702 /nfs/dbraw/zinc/14/37/02/190143702.db2.gz WGDOZAQWZHKXNR-UHFFFAOYSA-N 2 2 277.372 0.887 20 0 CCADLP C[N@@H+](CCNC(=O)NCCNc1cccc[nH+]1)C1CC1 ZINC000264907933 190143703 /nfs/dbraw/zinc/14/37/03/190143703.db2.gz WGDOZAQWZHKXNR-UHFFFAOYSA-N 2 2 277.372 0.887 20 0 CCADLP CN(C(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C)c1nccs1 ZINC000641803877 377473043 /nfs/dbraw/zinc/47/30/43/377473043.db2.gz VUFNNVANZBYIDE-IUCAKERBSA-N 2 2 268.386 0.821 20 0 CCADLP CN(C(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)c1nccs1 ZINC000641803871 377473595 /nfs/dbraw/zinc/47/35/95/377473595.db2.gz VUFNNVANZBYIDE-BDAKNGLRSA-N 2 2 268.386 0.821 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000265108468 190158671 /nfs/dbraw/zinc/15/86/71/190158671.db2.gz JSVHZKKUDINIMH-UHFFFAOYSA-N 2 2 267.377 0.443 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000265108468 190158672 /nfs/dbraw/zinc/15/86/72/190158672.db2.gz JSVHZKKUDINIMH-UHFFFAOYSA-N 2 2 267.377 0.443 20 0 CCADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493198779 249085625 /nfs/dbraw/zinc/08/56/25/249085625.db2.gz ZSWDDBJOCOUMMI-URWSZGRFSA-N 2 2 292.383 0.992 20 0 CCADLP CC[NH+](CC)CCC[NH2+][C@@H](CO)c1ccnn1C ZINC000459773178 249060718 /nfs/dbraw/zinc/06/07/18/249060718.db2.gz UGOTVHLBTUZCQY-LBPRGKRZSA-N 2 2 254.378 0.775 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000514612679 249095019 /nfs/dbraw/zinc/09/50/19/249095019.db2.gz VNSBUSUEJSGFOM-GJZGRUSLSA-N 2 2 297.443 0.633 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000514612679 249095021 /nfs/dbraw/zinc/09/50/21/249095021.db2.gz VNSBUSUEJSGFOM-GJZGRUSLSA-N 2 2 297.443 0.633 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000514612679 249095023 /nfs/dbraw/zinc/09/50/23/249095023.db2.gz VNSBUSUEJSGFOM-GJZGRUSLSA-N 2 2 297.443 0.633 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000514612679 249095026 /nfs/dbraw/zinc/09/50/26/249095026.db2.gz VNSBUSUEJSGFOM-GJZGRUSLSA-N 2 2 297.443 0.633 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CC(=O)N3CCCC[C@H]23)n1C ZINC000514925783 249111708 /nfs/dbraw/zinc/11/17/08/249111708.db2.gz YCCFISQJTQVUKJ-QWHCGFSZSA-N 2 2 291.399 0.729 20 0 CCADLP CN(CC1CC1)C(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000517168000 249206005 /nfs/dbraw/zinc/20/60/05/249206005.db2.gz GTDNXXORJOKHFS-UHFFFAOYSA-N 2 2 277.372 0.400 20 0 CCADLP C[C@H]([C@H](C)NC(=O)NCC[C@@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000516554175 249168827 /nfs/dbraw/zinc/16/88/27/249168827.db2.gz ADHSYSSAPGNPMN-MJBXVCDLSA-N 2 2 298.431 0.394 20 0 CCADLP C[N@H+](C[C@@H]1CCCS(=O)(=O)C1)CC(C)(C)C[NH3+] ZINC000516571235 249170420 /nfs/dbraw/zinc/17/04/20/249170420.db2.gz ZWUCWXXPDZDTLI-NSHDSACASA-N 2 2 262.419 0.728 20 0 CCADLP C[N@@H+](C[C@@H]1CCCS(=O)(=O)C1)CC(C)(C)C[NH3+] ZINC000516571235 249170421 /nfs/dbraw/zinc/17/04/21/249170421.db2.gz ZWUCWXXPDZDTLI-NSHDSACASA-N 2 2 262.419 0.728 20 0 CCADLP C[N@H+](C[C@H]1CCCS(=O)(=O)C1)CC(C)(C)C[NH3+] ZINC000516571234 249170803 /nfs/dbraw/zinc/17/08/03/249170803.db2.gz ZWUCWXXPDZDTLI-LLVKDONJSA-N 2 2 262.419 0.728 20 0 CCADLP C[N@@H+](C[C@H]1CCCS(=O)(=O)C1)CC(C)(C)C[NH3+] ZINC000516571234 249170804 /nfs/dbraw/zinc/17/08/04/249170804.db2.gz ZWUCWXXPDZDTLI-LLVKDONJSA-N 2 2 262.419 0.728 20 0 CCADLP Cc1ccc(F)c(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000516785835 249181322 /nfs/dbraw/zinc/18/13/22/249181322.db2.gz XQUUGZRTONWASQ-JSGCOSHPSA-N 2 2 277.343 0.878 20 0 CCADLP Cc1ccc(F)c(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000516785835 249181325 /nfs/dbraw/zinc/18/13/25/249181325.db2.gz XQUUGZRTONWASQ-JSGCOSHPSA-N 2 2 277.343 0.878 20 0 CCADLP c1c[nH+]c(C2CC[NH+](CCN3CC[NH2+]CC3)CC2)[nH]1 ZINC000517238908 249211021 /nfs/dbraw/zinc/21/10/21/249211021.db2.gz JGSXTBUJBIJDJN-UHFFFAOYSA-N 3 2 263.389 0.494 20 0 CCADLP C[N@H+]1CCC[C@@H](CNC(=O)[C@H]([NH3+])c2cscn2)C1 ZINC000517377563 249217346 /nfs/dbraw/zinc/21/73/46/249217346.db2.gz KAKUDHHLVFOFMZ-GXSJLCMTSA-N 2 2 268.386 0.601 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265469896 190184192 /nfs/dbraw/zinc/18/41/92/190184192.db2.gz HUQHRXAMMPMQJN-VIFPVBQESA-N 2 2 279.344 0.433 20 0 CCADLP CC[N@H+](CCNc1nc[nH+]c(N)c1OC)C(C)C ZINC000517756948 249229721 /nfs/dbraw/zinc/22/97/21/249229721.db2.gz MSKZJLZDLQEDEO-UHFFFAOYSA-N 2 2 253.350 0.632 20 0 CCADLP CC[N@@H+](CCNc1nc[nH+]c(N)c1OC)C(C)C ZINC000517756948 249229723 /nfs/dbraw/zinc/22/97/23/249229723.db2.gz MSKZJLZDLQEDEO-UHFFFAOYSA-N 2 2 253.350 0.632 20 0 CCADLP CNC(=O)NC(=O)CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265547104 190189589 /nfs/dbraw/zinc/18/95/89/190189589.db2.gz XXCXOXUWMXEAFP-UHFFFAOYSA-N 2 2 279.344 0.435 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)CCc1nccs1 ZINC000518674160 249257540 /nfs/dbraw/zinc/25/75/40/249257540.db2.gz AAXSZAFUGXKQKQ-GFCCVEGCSA-N 2 2 287.429 0.557 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)CCc1nccs1 ZINC000518674160 249257543 /nfs/dbraw/zinc/25/75/43/249257543.db2.gz AAXSZAFUGXKQKQ-GFCCVEGCSA-N 2 2 287.429 0.557 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)CCc1nccs1 ZINC000518674160 249257546 /nfs/dbraw/zinc/25/75/46/249257546.db2.gz AAXSZAFUGXKQKQ-GFCCVEGCSA-N 2 2 287.429 0.557 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)CCc1nccs1 ZINC000518674160 249257547 /nfs/dbraw/zinc/25/75/47/249257547.db2.gz AAXSZAFUGXKQKQ-GFCCVEGCSA-N 2 2 287.429 0.557 20 0 CCADLP Nc1[nH+]cnc(N2CC[C@@H]3CC[NH2+][C@H]3C2)c1Cl ZINC000643034192 377698733 /nfs/dbraw/zinc/69/87/33/377698733.db2.gz VGIWSNLJJVUZBY-YUMQZZPRSA-N 2 2 253.737 0.900 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC000643077225 377712655 /nfs/dbraw/zinc/71/26/55/377712655.db2.gz GDOBAWMIWBQJQA-SUNKGSAMSA-N 2 2 253.390 0.879 20 0 CCADLP CC1(C)NC(=O)N(CCC[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)C1=O ZINC000643069667 377713006 /nfs/dbraw/zinc/71/30/06/377713006.db2.gz WOMSBVHNZZFPCL-NWDGAFQWSA-N 2 2 294.399 0.391 20 0 CCADLP CC1(C)NC(=O)N(CCC[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)C1=O ZINC000643069667 377713013 /nfs/dbraw/zinc/71/30/13/377713013.db2.gz WOMSBVHNZZFPCL-NWDGAFQWSA-N 2 2 294.399 0.391 20 0 CCADLP C(C[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)OC[C@@H]1CCCO1 ZINC000643066870 377710908 /nfs/dbraw/zinc/71/09/08/377710908.db2.gz UQJHDPDTNCBDAZ-IHRRRGAJSA-N 2 2 254.374 0.866 20 0 CCADLP C(C[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1)OC[C@@H]1CCCO1 ZINC000643066870 377710914 /nfs/dbraw/zinc/71/09/14/377710914.db2.gz UQJHDPDTNCBDAZ-IHRRRGAJSA-N 2 2 254.374 0.866 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)CCn1cc[nH+]c1 ZINC000266148794 190234949 /nfs/dbraw/zinc/23/49/49/190234949.db2.gz JVHIJUYMUBQOIE-UHFFFAOYSA-N 2 2 268.361 0.358 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)CCn1cc[nH+]c1 ZINC000266148794 190234950 /nfs/dbraw/zinc/23/49/50/190234950.db2.gz JVHIJUYMUBQOIE-UHFFFAOYSA-N 2 2 268.361 0.358 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000266931683 190291878 /nfs/dbraw/zinc/29/18/78/190291878.db2.gz OTMOPYZHRWITLZ-UHFFFAOYSA-N 2 2 299.378 0.841 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1[nH+]ccn1C ZINC000268092771 190375902 /nfs/dbraw/zinc/37/59/02/190375902.db2.gz BGMOVKZYYAGPOC-CMPLNLGQSA-N 2 2 277.372 0.702 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1[nH+]ccn1C ZINC000268092771 190375903 /nfs/dbraw/zinc/37/59/03/190375903.db2.gz BGMOVKZYYAGPOC-CMPLNLGQSA-N 2 2 277.372 0.702 20 0 CCADLP C[NH+](C)[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000279148580 194306186 /nfs/dbraw/zinc/30/61/86/194306186.db2.gz GZOKYTXYSGEORW-NSHDSACASA-N 2 2 250.346 0.895 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH+]1CCCCC1 ZINC000279170619 194315365 /nfs/dbraw/zinc/31/53/65/194315365.db2.gz JAXJIECCQJWUAE-UHFFFAOYSA-N 2 2 250.346 0.944 20 0 CCADLP c1[nH+]c2n(c1C[NH2+]CCN1CCOCC1)CCC2 ZINC000657286432 412954781 /nfs/dbraw/zinc/95/47/81/412954781.db2.gz NSSUBUPZAWAMOF-UHFFFAOYSA-N 2 2 250.346 0.251 20 0 CCADLP C[NH2+][C@H]1CCN(C(=O)[C@@H]([NH3+])c2c(F)cccc2F)C1 ZINC000334950954 207343789 /nfs/dbraw/zinc/34/37/89/207343789.db2.gz ORMKBIDLJDDUPV-UFBFGSQYSA-N 2 2 269.295 0.785 20 0 CCADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@H+](CC(N)=O)C1 ZINC000289440030 197347934 /nfs/dbraw/zinc/34/79/34/197347934.db2.gz WMEMIMVXEVUKEE-JTQLQIEISA-N 2 2 264.329 0.086 20 0 CCADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC000289440030 197347935 /nfs/dbraw/zinc/34/79/35/197347935.db2.gz WMEMIMVXEVUKEE-JTQLQIEISA-N 2 2 264.329 0.086 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccnn2CC2CC2)CC1 ZINC000657333888 412960752 /nfs/dbraw/zinc/96/07/52/412960752.db2.gz CYOFORWNBPRYRB-UHFFFAOYSA-N 2 2 291.399 0.157 20 0 CCADLP O[C@H](C[NH2+]Cc1c[nH+]c2n1CCC2)COCC1CC1 ZINC000657339322 412960885 /nfs/dbraw/zinc/96/08/85/412960885.db2.gz BAUVLBWYGRNEDR-CYBMUJFWSA-N 2 2 265.357 0.706 20 0 CCADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NCC1CC[NH2+]CC1 ZINC000574786913 335047240 /nfs/dbraw/zinc/04/72/40/335047240.db2.gz BIBCAEHYXOBZPW-OKILXGFUSA-N 2 2 296.415 0.148 20 0 CCADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NCC1CC[NH2+]CC1 ZINC000574786913 335047241 /nfs/dbraw/zinc/04/72/41/335047241.db2.gz BIBCAEHYXOBZPW-OKILXGFUSA-N 2 2 296.415 0.148 20 0 CCADLP O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCC[NH2+]CC1 ZINC000430613453 296361973 /nfs/dbraw/zinc/36/19/73/296361973.db2.gz VOHTZGFYAKTTCP-UHFFFAOYSA-N 2 2 280.372 0.146 20 0 CCADLP O=C1NC2(CCCC2)C(=O)N1CC[N@H+]1CCC[NH2+]CC1 ZINC000430613453 296361978 /nfs/dbraw/zinc/36/19/78/296361978.db2.gz VOHTZGFYAKTTCP-UHFFFAOYSA-N 2 2 280.372 0.146 20 0 CCADLP Cc1c[nH]c(C[NH2+]C[C@@H](C)C[NH+]2CCOCC2)n1 ZINC000657369950 412975649 /nfs/dbraw/zinc/97/56/49/412975649.db2.gz JLWCETMVVBRGGL-LLVKDONJSA-N 2 2 252.362 0.776 20 0 CCADLP O=C1C[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)CN1C1CC1 ZINC000657387967 412979544 /nfs/dbraw/zinc/97/95/44/412979544.db2.gz YXYREGGDPPSOJD-JTQLQIEISA-N 2 2 260.341 0.682 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000249390400 285113824 /nfs/dbraw/zinc/11/38/24/285113824.db2.gz QTOMRGQORJLVBZ-LXTVHRRPSA-N 2 2 297.443 0.773 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000249390400 285113825 /nfs/dbraw/zinc/11/38/25/285113825.db2.gz QTOMRGQORJLVBZ-LXTVHRRPSA-N 2 2 297.443 0.773 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]Cc2ccc(O)cc2)C[C@@H](C)O1 ZINC000572356883 291873637 /nfs/dbraw/zinc/87/36/37/291873637.db2.gz ZRTLNOLATGKSNF-XJKCOSOUSA-N 2 2 294.395 0.952 20 0 CCADLP Cc1[nH+]cc(C[NH2+]C[C@H](CO)c2cccnc2)n1C ZINC000572424466 291879069 /nfs/dbraw/zinc/87/90/69/291879069.db2.gz HNASJIPVUKAXND-CYBMUJFWSA-N 2 2 260.341 0.989 20 0 CCADLP C[NH+](C)[C@]1(CNC(=O)CCc2[nH]cc[nH+]2)CCSC1 ZINC000289102073 197234708 /nfs/dbraw/zinc/23/47/08/197234708.db2.gz FWMJARRXBGKBGH-ZDUSSCGKSA-N 2 2 282.413 0.896 20 0 CCADLP COC(=O)C1CCC([NH2+]C[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000336841774 285182367 /nfs/dbraw/zinc/18/23/67/285182367.db2.gz SJRODSLIIUYXGC-JXQTWKCFSA-N 2 2 283.416 0.554 20 0 CCADLP COC(=O)C1CCC([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000336841774 285182370 /nfs/dbraw/zinc/18/23/70/285182370.db2.gz SJRODSLIIUYXGC-JXQTWKCFSA-N 2 2 283.416 0.554 20 0 CCADLP CCC[C@H](O)[C@H](CO)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657490385 413007026 /nfs/dbraw/zinc/00/70/26/413007026.db2.gz IJSOKDDVTAGOEF-RYUDHWBXSA-N 2 2 253.346 0.441 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)CCc2[nH]cc[nH+]2)C[C@H](C)O1 ZINC000288362419 197059026 /nfs/dbraw/zinc/05/90/26/197059026.db2.gz WJNIPXDGNMTTHO-BETUJISGSA-N 2 2 294.399 0.910 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)CCc2[nH]cc[nH+]2)C[C@H](C)O1 ZINC000288362419 197059028 /nfs/dbraw/zinc/05/90/28/197059028.db2.gz WJNIPXDGNMTTHO-BETUJISGSA-N 2 2 294.399 0.910 20 0 CCADLP C[C@@H](C(=O)N(C)C1(C[NH3+])CCC1)[NH+]1CCOCC1 ZINC000449687652 533170702 /nfs/dbraw/zinc/17/07/02/533170702.db2.gz QQBBVTWQNMZDLW-NSHDSACASA-N 2 2 255.362 0.047 20 0 CCADLP COC[C@H](CC[NH2+]Cc1c[nH+]c2n1CCC2)OC ZINC000657552637 413022942 /nfs/dbraw/zinc/02/29/42/413022942.db2.gz FJMODQIYEBHTMQ-LBPRGKRZSA-N 2 2 253.346 0.970 20 0 CCADLP Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)[C@H]3CCC[NH2+]3)C2=O)n(C)n1 ZINC000333277794 291939726 /nfs/dbraw/zinc/93/97/26/291939726.db2.gz LVCKLBMNJXCRKD-YNEHKIRRSA-N 2 2 291.399 0.564 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)C[C@@H]3COCC[NH2+]3)cn21 ZINC000285717503 388797388 /nfs/dbraw/zinc/79/73/88/388797388.db2.gz DURJHBWQDMRLTN-GFCCVEGCSA-N 2 2 288.351 0.637 20 0 CCADLP C[NH+](C)C[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CCO1 ZINC000284015143 388771948 /nfs/dbraw/zinc/77/19/48/388771948.db2.gz OGZGCURIGJEKOC-PCAWENJQSA-N 2 2 264.329 0.212 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000011954319 388776984 /nfs/dbraw/zinc/77/69/84/388776984.db2.gz VPQXWCONSAVYSL-LBPRGKRZSA-N 2 2 271.405 0.587 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CCn1cc[nH+]c1 ZINC000287636018 388854790 /nfs/dbraw/zinc/85/47/90/388854790.db2.gz ZUQRTCXQSGRNML-KGLIPLIRSA-N 2 2 292.383 0.595 20 0 CCADLP CC(C)(CNC(=O)[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000040805152 388855182 /nfs/dbraw/zinc/85/51/82/388855182.db2.gz SXEDMJZUQKTVFA-LBPRGKRZSA-N 2 2 269.389 0.213 20 0 CCADLP CC(C)CN1CC[N@H+](CCn2cc[nH+]c2)CC1=O ZINC000187080858 388867404 /nfs/dbraw/zinc/86/74/04/388867404.db2.gz BXTMPINWRSTCSF-UHFFFAOYSA-N 2 2 250.346 0.683 20 0 CCADLP CC(C)CN1CC[N@@H+](CCn2cc[nH+]c2)CC1=O ZINC000187080858 388867408 /nfs/dbraw/zinc/86/74/08/388867408.db2.gz BXTMPINWRSTCSF-UHFFFAOYSA-N 2 2 250.346 0.683 20 0 CCADLP C[C@@H]1CCC[N@H+](CCNC(=O)NCCn2cc[nH+]c2)C1 ZINC000043311362 388868734 /nfs/dbraw/zinc/86/87/34/388868734.db2.gz UALDOIUXJDNLFT-CYBMUJFWSA-N 2 2 279.388 0.914 20 0 CCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)NCCn2cc[nH+]c2)C1 ZINC000043311362 388868738 /nfs/dbraw/zinc/86/87/38/388868738.db2.gz UALDOIUXJDNLFT-CYBMUJFWSA-N 2 2 279.388 0.914 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C(N)=O)co2)CC[N@@H+]1C ZINC000187706967 388893181 /nfs/dbraw/zinc/89/31/81/388893181.db2.gz WBWBYRODWQGNRB-KOLCDFICSA-N 2 2 251.330 0.951 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C(N)=O)co2)CC[N@H+]1C ZINC000187706967 388893184 /nfs/dbraw/zinc/89/31/84/388893184.db2.gz WBWBYRODWQGNRB-KOLCDFICSA-N 2 2 251.330 0.951 20 0 CCADLP C[C@@H]1CC[C@](CO)([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000187982594 388906765 /nfs/dbraw/zinc/90/67/65/388906765.db2.gz DXGREMTXZBVMFD-HIFRSBDPSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@@H]1CC[C@](CO)([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000187982594 388906769 /nfs/dbraw/zinc/90/67/69/388906769.db2.gz DXGREMTXZBVMFD-HIFRSBDPSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@H](CNC(=O)c1c[nH+]ccc1N)Cn1cc[nH+]c1 ZINC000188108952 388912838 /nfs/dbraw/zinc/91/28/38/388912838.db2.gz KKQQYKHSXRUCMB-SNVBAGLBSA-N 2 2 259.313 0.926 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000290845661 388913723 /nfs/dbraw/zinc/91/37/23/388913723.db2.gz ZMOXDQQSAAQENN-CYBMUJFWSA-N 2 2 297.428 0.657 20 0 CCADLP Nc1[nH+]cnc(N2CCC([NH2+]CCO)CC2)c1Cl ZINC000291007787 388915753 /nfs/dbraw/zinc/91/57/53/388915753.db2.gz VUYUITJHBGYLAM-UHFFFAOYSA-N 2 2 271.752 0.263 20 0 CCADLP Nc1nc[nH+]c(N2CCC([NH2+]CCO)CC2)c1Cl ZINC000291007787 388915757 /nfs/dbraw/zinc/91/57/57/388915757.db2.gz VUYUITJHBGYLAM-UHFFFAOYSA-N 2 2 271.752 0.263 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000188724646 388938989 /nfs/dbraw/zinc/93/89/89/388938989.db2.gz QGUFDUPVAZVCCW-JTQLQIEISA-N 2 2 297.321 0.006 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000062854502 388939779 /nfs/dbraw/zinc/93/97/79/388939779.db2.gz YHMFGZVSIBTFSW-AAEUAGOBSA-N 2 2 250.346 0.778 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2c[nH+]cn2C)[C@H](C)C1 ZINC000292437756 388949875 /nfs/dbraw/zinc/94/98/75/388949875.db2.gz VMWIWLSALXTFJZ-NEPJUHHUSA-N 2 2 295.387 0.017 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NCc2c[nH+]cn2C)[C@H](C)C1 ZINC000292437756 388949878 /nfs/dbraw/zinc/94/98/78/388949878.db2.gz VMWIWLSALXTFJZ-NEPJUHHUSA-N 2 2 295.387 0.017 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000189261140 388952366 /nfs/dbraw/zinc/95/23/66/388952366.db2.gz MQTJTEYXOZPWMO-GFCCVEGCSA-N 2 2 278.356 0.920 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000189261140 388952368 /nfs/dbraw/zinc/95/23/68/388952368.db2.gz MQTJTEYXOZPWMO-GFCCVEGCSA-N 2 2 278.356 0.920 20 0 CCADLP CC[N@@H+]1CC[C@H]2OCCN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C1 ZINC000293786856 388987649 /nfs/dbraw/zinc/98/76/49/388987649.db2.gz CDQBVIRIKPAFIE-QWHCGFSZSA-N 2 2 292.383 0.664 20 0 CCADLP CC[N@H+]1CC[C@H]2OCCN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C1 ZINC000293786856 388987650 /nfs/dbraw/zinc/98/76/50/388987650.db2.gz CDQBVIRIKPAFIE-QWHCGFSZSA-N 2 2 292.383 0.664 20 0 CCADLP C[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000354207599 389017299 /nfs/dbraw/zinc/01/72/99/389017299.db2.gz MQGCXDMINDRBQB-NWDGAFQWSA-N 2 2 262.357 0.923 20 0 CCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000354207599 389017302 /nfs/dbraw/zinc/01/73/02/389017302.db2.gz MQGCXDMINDRBQB-NWDGAFQWSA-N 2 2 262.357 0.923 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCS[C@H]2COCC[C@@H]21)C1CC1 ZINC000336814398 389024856 /nfs/dbraw/zinc/02/48/56/389024856.db2.gz XAMKWVBLVQDAPY-IHRRRGAJSA-N 2 2 286.441 0.648 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCS[C@H]2COCC[C@@H]21)C1CC1 ZINC000336814398 389024858 /nfs/dbraw/zinc/02/48/58/389024858.db2.gz XAMKWVBLVQDAPY-IHRRRGAJSA-N 2 2 286.441 0.648 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCS[C@H]2COCC[C@@H]21)C1CC1 ZINC000336814398 389024860 /nfs/dbraw/zinc/02/48/60/389024860.db2.gz XAMKWVBLVQDAPY-IHRRRGAJSA-N 2 2 286.441 0.648 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCS[C@H]2COCC[C@@H]21)C1CC1 ZINC000336814398 389024861 /nfs/dbraw/zinc/02/48/61/389024861.db2.gz XAMKWVBLVQDAPY-IHRRRGAJSA-N 2 2 286.441 0.648 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1CC[NH+]1CCOC[C@H]1C ZINC000337177941 389050838 /nfs/dbraw/zinc/05/08/38/389050838.db2.gz KAMNBSXODBEBJU-MGPQQGTHSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1CC[NH+]1CCOC[C@H]1C ZINC000337177941 389050843 /nfs/dbraw/zinc/05/08/43/389050843.db2.gz KAMNBSXODBEBJU-MGPQQGTHSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1C[NH+](C)[C@H](C)CN1CC[N@@H+]1CCOC[C@H]1C ZINC000337177941 389050845 /nfs/dbraw/zinc/05/08/45/389050845.db2.gz KAMNBSXODBEBJU-MGPQQGTHSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1C[NH+](C)[C@H](C)CN1CC[N@H+]1CCOC[C@H]1C ZINC000337177941 389050846 /nfs/dbraw/zinc/05/08/46/389050846.db2.gz KAMNBSXODBEBJU-MGPQQGTHSA-N 2 2 255.406 0.732 20 0 CCADLP CC(C)OCC[NH+]1CCN(CC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000192751014 389051507 /nfs/dbraw/zinc/05/15/07/389051507.db2.gz GZQOVMGYYHDHFN-MRXNPFEDSA-N 2 2 299.459 0.750 20 0 CCADLP CC(C)OCC[NH+]1CCN(CC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000192751014 389051509 /nfs/dbraw/zinc/05/15/09/389051509.db2.gz GZQOVMGYYHDHFN-MRXNPFEDSA-N 2 2 299.459 0.750 20 0 CCADLP CS[C@@H]1CN(CC[N@@H+]2CCO[C@@H](C)C2)C[C@@H]1[NH+](C)C ZINC000337314708 389058659 /nfs/dbraw/zinc/05/86/59/389058659.db2.gz ILDDQDMTSQBTJF-MELADBBJSA-N 2 2 287.473 0.685 20 0 CCADLP CS[C@@H]1CN(CC[N@H+]2CCO[C@@H](C)C2)C[C@@H]1[NH+](C)C ZINC000337314708 389058661 /nfs/dbraw/zinc/05/86/61/389058661.db2.gz ILDDQDMTSQBTJF-MELADBBJSA-N 2 2 287.473 0.685 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](CCO[C@@H]2CCCCO2)CC1 ZINC000193042361 389060414 /nfs/dbraw/zinc/06/04/14/389060414.db2.gz QWIGONSKMXEEID-OAHLLOKOSA-N 2 2 299.415 0.235 20 0 CCADLP CN(CC[NH+](C)C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338229007 389094848 /nfs/dbraw/zinc/09/48/48/389094848.db2.gz OFTRSCAVAFUIBR-UHFFFAOYSA-N 2 2 257.378 0.117 20 0 CCADLP C[C@H](C(=O)N1CCC2(CCC[N@@H+]2C)CC1)[NH+]1CCOCC1 ZINC000355354522 389065146 /nfs/dbraw/zinc/06/51/46/389065146.db2.gz ZLKHVGNKOWLJBP-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP C[C@H](C(=O)N1CCC2(CCC[N@H+]2C)CC1)[NH+]1CCOCC1 ZINC000355354522 389065147 /nfs/dbraw/zinc/06/51/47/389065147.db2.gz ZLKHVGNKOWLJBP-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000355407350 389074424 /nfs/dbraw/zinc/07/44/24/389074424.db2.gz CESDWFSRTWYWHV-MELADBBJSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000355407350 389074425 /nfs/dbraw/zinc/07/44/25/389074425.db2.gz CESDWFSRTWYWHV-MELADBBJSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H](CNC(=O)N1CC[N@H+](C)CC[C@H]1C)[NH+]1CCOCC1 ZINC000355479929 389082588 /nfs/dbraw/zinc/08/25/88/389082588.db2.gz KQTOTMGZGSOAFU-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H](CNC(=O)N1CC[N@@H+](C)CC[C@H]1C)[NH+]1CCOCC1 ZINC000355479929 389082590 /nfs/dbraw/zinc/08/25/90/389082590.db2.gz KQTOTMGZGSOAFU-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP CC[NH+]1CCN(C(=O)NCc2ccc(N(C)C)[nH+]c2)CC1 ZINC000298645307 389037943 /nfs/dbraw/zinc/03/79/43/389037943.db2.gz FCXICOZIUMBLPE-UHFFFAOYSA-N 2 2 291.399 0.995 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C2CCC(C(N)=O)CC2)C1 ZINC000358175656 389143932 /nfs/dbraw/zinc/14/39/32/389143932.db2.gz MKMQSYVEEIVEEZ-XVSSEFHLSA-N 2 2 253.390 0.960 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]C2CCC(C(N)=O)CC2)C1 ZINC000358175656 389143935 /nfs/dbraw/zinc/14/39/35/389143935.db2.gz MKMQSYVEEIVEEZ-XVSSEFHLSA-N 2 2 253.390 0.960 20 0 CCADLP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@H]2C[N@H+](C)C[C@H]2C)CC1=O ZINC000358180064 389143967 /nfs/dbraw/zinc/14/39/67/389143967.db2.gz SHSRLPJYFOLSIZ-KVSVUVNWSA-N 2 2 251.374 0.535 20 0 CCADLP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CC1=O ZINC000358180064 389143971 /nfs/dbraw/zinc/14/39/71/389143971.db2.gz SHSRLPJYFOLSIZ-KVSVUVNWSA-N 2 2 251.374 0.535 20 0 CCADLP CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000311077076 389102002 /nfs/dbraw/zinc/10/20/02/389102002.db2.gz MVULSQFMUOYLKT-YRGRVCCFSA-N 2 2 256.390 0.941 20 0 CCADLP CC[C@@H]1CO[C@H](C)C[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000311077076 389102003 /nfs/dbraw/zinc/10/20/03/389102003.db2.gz MVULSQFMUOYLKT-YRGRVCCFSA-N 2 2 256.390 0.941 20 0 CCADLP CC[C@@H]1CO[C@H](C)C[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000311077076 389102005 /nfs/dbraw/zinc/10/20/05/389102005.db2.gz MVULSQFMUOYLKT-YRGRVCCFSA-N 2 2 256.390 0.941 20 0 CCADLP CC[C@@H]1CO[C@H](C)C[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000311077076 389102008 /nfs/dbraw/zinc/10/20/08/389102008.db2.gz MVULSQFMUOYLKT-YRGRVCCFSA-N 2 2 256.390 0.941 20 0 CCADLP C[NH+](C)CC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000112206226 389119808 /nfs/dbraw/zinc/11/98/08/389119808.db2.gz SWLBAGWXLFNBOY-ZDUSSCGKSA-N 2 2 269.389 0.119 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000356982561 389130381 /nfs/dbraw/zinc/13/03/81/389130381.db2.gz VDJVKWLAFJUIBC-LSDHHAIUSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000356982561 389130383 /nfs/dbraw/zinc/13/03/83/389130383.db2.gz VDJVKWLAFJUIBC-LSDHHAIUSA-N 2 2 295.427 0.794 20 0 CCADLP CN(C)C(=O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119519494 389139599 /nfs/dbraw/zinc/13/95/99/389139599.db2.gz OGJRDZUMVILPLZ-YIONKMFJSA-N 2 2 294.443 0.317 20 0 CCADLP CN(C)C(=O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119519494 389139603 /nfs/dbraw/zinc/13/96/03/389139603.db2.gz OGJRDZUMVILPLZ-YIONKMFJSA-N 2 2 294.443 0.317 20 0 CCADLP CN(C)C(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119519494 389139605 /nfs/dbraw/zinc/13/96/05/389139605.db2.gz OGJRDZUMVILPLZ-YIONKMFJSA-N 2 2 294.443 0.317 20 0 CCADLP CN(C)C(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119519494 389139606 /nfs/dbraw/zinc/13/96/06/389139606.db2.gz OGJRDZUMVILPLZ-YIONKMFJSA-N 2 2 294.443 0.317 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000237113534 389181918 /nfs/dbraw/zinc/18/19/18/389181918.db2.gz LRKBQIRWJQVWEG-AWEZNQCLSA-N 2 2 269.389 0.167 20 0 CCADLP COCC[NH+](C)CC1(C[N@@H+](C)CCOC)COC1 ZINC000359989824 389188152 /nfs/dbraw/zinc/18/81/52/389188152.db2.gz BDPYWUFBWNQDJL-UHFFFAOYSA-N 2 2 260.378 0.159 20 0 CCADLP COCC[NH+](C)CC1(C[N@H+](C)CCOC)COC1 ZINC000359989824 389188153 /nfs/dbraw/zinc/18/81/53/389188153.db2.gz BDPYWUFBWNQDJL-UHFFFAOYSA-N 2 2 260.378 0.159 20 0 CCADLP C[C@@H](C[NH3+])CNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000237395020 389188657 /nfs/dbraw/zinc/18/86/57/389188657.db2.gz TWDCZDOLIXQZDL-ZDUSSCGKSA-N 2 2 291.395 0.843 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000360415458 389197654 /nfs/dbraw/zinc/19/76/54/389197654.db2.gz AGXXQBIQCCDWED-MCIONIFRSA-N 2 2 275.400 0.985 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCCN(c2ncccn2)C1 ZINC000360415458 389197655 /nfs/dbraw/zinc/19/76/55/389197655.db2.gz AGXXQBIQCCDWED-MCIONIFRSA-N 2 2 275.400 0.985 20 0 CCADLP C[C@H](C(=O)N1CC[NH+](CCO)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000130138522 389199760 /nfs/dbraw/zinc/19/97/60/389199760.db2.gz CLMJYAQQPZIWGY-DZGCQCFKSA-N 2 2 291.395 0.459 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360562040 389199797 /nfs/dbraw/zinc/19/97/97/389199797.db2.gz KWAJDAWRMDAASX-IUODEOHRSA-N 2 2 296.415 0.542 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360562040 389199801 /nfs/dbraw/zinc/19/98/01/389199801.db2.gz KWAJDAWRMDAASX-IUODEOHRSA-N 2 2 296.415 0.542 20 0 CCADLP Cc1nc(N(C)C)nc(NC[C@@H]2CCc3[nH+]ccn3C2)[nH+]1 ZINC000329802343 389203182 /nfs/dbraw/zinc/20/31/82/389203182.db2.gz KHLLSYHELQHUFB-NSHDSACASA-N 2 2 287.371 0.539 20 0 CCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC000329154963 389151203 /nfs/dbraw/zinc/15/12/03/389151203.db2.gz AQVBQJOLBLGEHF-JSGCOSHPSA-N 2 2 292.383 0.664 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H](C)[N@H+]1C ZINC000358711112 389158729 /nfs/dbraw/zinc/15/87/29/389158729.db2.gz QEOMKGXBVWIFGI-XQQFMLRXSA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H](C)[N@@H+]1C ZINC000358711112 389158731 /nfs/dbraw/zinc/15/87/31/389158731.db2.gz QEOMKGXBVWIFGI-XQQFMLRXSA-N 2 2 276.384 0.997 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000232116532 389161030 /nfs/dbraw/zinc/16/10/30/389161030.db2.gz YQKMFZQMRLBIJV-CQSZACIVSA-N 2 2 292.383 0.090 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@H]1CCC[NH2+][C@H]1C)[NH+]1CCOCC1 ZINC000342698810 389244304 /nfs/dbraw/zinc/24/43/04/389244304.db2.gz HYCQQWBUPNULAX-FQUUOJAGSA-N 2 2 283.416 0.600 20 0 CCADLP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000330835420 389254618 /nfs/dbraw/zinc/25/46/18/389254618.db2.gz WUHBSKGNILOYPM-GFCCVEGCSA-N 2 2 283.397 0.814 20 0 CCADLP COC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000135524983 389258637 /nfs/dbraw/zinc/25/86/37/389258637.db2.gz XMAINVDYIRLQFW-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP COC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000135524983 389258640 /nfs/dbraw/zinc/25/86/40/389258640.db2.gz XMAINVDYIRLQFW-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000250373304 389261156 /nfs/dbraw/zinc/26/11/56/389261156.db2.gz JJLJCXSAEREQSH-XQQFMLRXSA-N 2 2 251.374 0.681 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000251675696 389263481 /nfs/dbraw/zinc/26/34/81/389263481.db2.gz LYVIXAAAWZNZRP-MGPQQGTHSA-N 2 2 285.432 0.927 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000251675696 389263485 /nfs/dbraw/zinc/26/34/85/389263485.db2.gz LYVIXAAAWZNZRP-MGPQQGTHSA-N 2 2 285.432 0.927 20 0 CCADLP CNC(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CCOC ZINC000361024429 389207126 /nfs/dbraw/zinc/20/71/26/389207126.db2.gz YFBGTPBIDHNYQA-NWDGAFQWSA-N 2 2 257.378 0.211 20 0 CCADLP CNC(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1CCOC ZINC000361024429 389207130 /nfs/dbraw/zinc/20/71/30/389207130.db2.gz YFBGTPBIDHNYQA-NWDGAFQWSA-N 2 2 257.378 0.211 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245430569 389207439 /nfs/dbraw/zinc/20/74/39/389207439.db2.gz AHKUAPXPNLXBKP-QWHCGFSZSA-N 2 2 299.415 0.470 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245430569 389207440 /nfs/dbraw/zinc/20/74/40/389207440.db2.gz AHKUAPXPNLXBKP-QWHCGFSZSA-N 2 2 299.415 0.470 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000245430569 389207441 /nfs/dbraw/zinc/20/74/41/389207441.db2.gz AHKUAPXPNLXBKP-QWHCGFSZSA-N 2 2 299.415 0.470 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000245430569 389207443 /nfs/dbraw/zinc/20/74/43/389207443.db2.gz AHKUAPXPNLXBKP-QWHCGFSZSA-N 2 2 299.415 0.470 20 0 CCADLP COCC[NH+]1CCC([NH2+][C@@H]2CCN(C3CC3)C2=O)CC1 ZINC000361241481 389210550 /nfs/dbraw/zinc/21/05/50/389210550.db2.gz BMZHSXQHENVXEX-CQSZACIVSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@H](C(=O)N1CC[NH+](CC2CC2)CC1)[NH+]1CCSCC1 ZINC000131301100 389211914 /nfs/dbraw/zinc/21/19/14/389211914.db2.gz LEDHYERSOGGZHJ-CYBMUJFWSA-N 2 2 297.468 0.978 20 0 CCADLP CC(C)[C@@H](C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)[NH+](C)C ZINC000133122604 389231533 /nfs/dbraw/zinc/23/15/33/389231533.db2.gz OXVZJDYHYOPKIA-RDBSUJKOSA-N 2 2 285.432 0.798 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000362573877 389238101 /nfs/dbraw/zinc/23/81/01/389238101.db2.gz YAIHKMCMKFUTBB-WCQYABFASA-N 2 2 276.384 0.962 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000362573877 389238105 /nfs/dbraw/zinc/23/81/05/389238105.db2.gz YAIHKMCMKFUTBB-WCQYABFASA-N 2 2 276.384 0.962 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCCCS1(=O)=O ZINC000346805801 389338861 /nfs/dbraw/zinc/33/88/61/389338861.db2.gz IWWNURSZUJYUHR-FRRDWIJNSA-N 2 2 274.430 0.884 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCCCS1(=O)=O ZINC000346805801 389338864 /nfs/dbraw/zinc/33/88/64/389338864.db2.gz IWWNURSZUJYUHR-FRRDWIJNSA-N 2 2 274.430 0.884 20 0 CCADLP C[NH+]1CCC([N@H+](CCO)CC2CC[NH2+]CC2)CC1 ZINC000346849900 389339581 /nfs/dbraw/zinc/33/95/81/389339581.db2.gz UJFPIKTZSQLPRQ-UHFFFAOYSA-N 3 2 255.406 0.375 20 0 CCADLP C[NH+]1CCC([N@@H+](CCO)CC2CC[NH2+]CC2)CC1 ZINC000346849900 389339583 /nfs/dbraw/zinc/33/95/83/389339583.db2.gz UJFPIKTZSQLPRQ-UHFFFAOYSA-N 3 2 255.406 0.375 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cn1cccn1 ZINC000137455944 389270280 /nfs/dbraw/zinc/27/02/80/389270280.db2.gz GHHIXIFOTRIXQJ-KBPBESRZSA-N 2 2 266.389 0.972 20 0 CCADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cn1cccn1 ZINC000137455944 389270284 /nfs/dbraw/zinc/27/02/84/389270284.db2.gz GHHIXIFOTRIXQJ-KBPBESRZSA-N 2 2 266.389 0.972 20 0 CCADLP CCCNC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150798457 389274623 /nfs/dbraw/zinc/27/46/23/389274623.db2.gz ZHWRYADBEGHUIR-CYBMUJFWSA-N 2 2 253.390 0.930 20 0 CCADLP CCCNC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150798457 389274626 /nfs/dbraw/zinc/27/46/26/389274626.db2.gz ZHWRYADBEGHUIR-CYBMUJFWSA-N 2 2 253.390 0.930 20 0 CCADLP C[C@H](C(=O)NC(C)(C)C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000330993569 389276084 /nfs/dbraw/zinc/27/60/84/389276084.db2.gz NPIUXLGHUKXCEZ-GFCCVEGCSA-N 2 2 293.415 0.845 20 0 CCADLP CN(C(=O)[C@@H]1CCCO1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365223706 389277969 /nfs/dbraw/zinc/27/79/69/389277969.db2.gz KLLOSHPMLDVYAY-GJZGRUSLSA-N 2 2 295.427 0.792 20 0 CCADLP CN(C(=O)[C@@H]1CCCO1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365223706 389277974 /nfs/dbraw/zinc/27/79/74/389277974.db2.gz KLLOSHPMLDVYAY-GJZGRUSLSA-N 2 2 295.427 0.792 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC000344217263 389280014 /nfs/dbraw/zinc/28/00/14/389280014.db2.gz QYDLHKTXSPGBQC-DZGCQCFKSA-N 3 2 269.433 0.621 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC000344217263 389280017 /nfs/dbraw/zinc/28/00/17/389280017.db2.gz QYDLHKTXSPGBQC-DZGCQCFKSA-N 3 2 269.433 0.621 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)C1 ZINC000344550579 389282608 /nfs/dbraw/zinc/28/26/08/389282608.db2.gz KBYVFSVJMDDERG-OLZOCXBDSA-N 3 2 255.406 0.373 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)C1 ZINC000344550579 389282611 /nfs/dbraw/zinc/28/26/11/389282611.db2.gz KBYVFSVJMDDERG-OLZOCXBDSA-N 3 2 255.406 0.373 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000262245024 389283752 /nfs/dbraw/zinc/28/37/52/389283752.db2.gz CFDPRMHJQOTCKG-AGIUHOORSA-N 2 2 269.389 0.341 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C[C@H]1C ZINC000263308115 389299292 /nfs/dbraw/zinc/29/92/92/389299292.db2.gz YDMAAZQDTSCAEI-MNOVXSKESA-N 2 2 291.342 0.163 20 0 CCADLP COCC[N@H+]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C[C@H]1C ZINC000263308115 389299295 /nfs/dbraw/zinc/29/92/95/389299295.db2.gz YDMAAZQDTSCAEI-MNOVXSKESA-N 2 2 291.342 0.163 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC000345440580 389305773 /nfs/dbraw/zinc/30/57/73/389305773.db2.gz ZRUDJPXBLHPODK-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC000345440580 389305775 /nfs/dbraw/zinc/30/57/75/389305775.db2.gz ZRUDJPXBLHPODK-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CCC2(O)CCC2)CC1 ZINC000411115887 389416489 /nfs/dbraw/zinc/41/64/89/389416489.db2.gz IVQIZYKGIGPABP-UHFFFAOYSA-N 2 2 264.373 0.847 20 0 CCADLP CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369266207 389392666 /nfs/dbraw/zinc/39/26/66/389392666.db2.gz KPWSAFBRPZZCPU-AEGPPILISA-N 2 2 295.427 0.696 20 0 CCADLP CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369266207 389392669 /nfs/dbraw/zinc/39/26/69/389392669.db2.gz KPWSAFBRPZZCPU-AEGPPILISA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H]1CN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C[C@H](C)[N@H+]1C ZINC000333048790 389403518 /nfs/dbraw/zinc/40/35/18/389403518.db2.gz BQWWUXCJWBNQDC-XQQFMLRXSA-N 2 2 291.399 0.932 20 0 CCADLP C[C@@H]1CN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C[C@H](C)[N@@H+]1C ZINC000333048790 389403520 /nfs/dbraw/zinc/40/35/20/389403520.db2.gz BQWWUXCJWBNQDC-XQQFMLRXSA-N 2 2 291.399 0.932 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)[C@H]1CSC[NH2+]1 ZINC000269239652 389409926 /nfs/dbraw/zinc/40/99/26/389409926.db2.gz PPMYMOXTOYCYIZ-SNVBAGLBSA-N 2 2 254.359 0.360 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000269280551 389411638 /nfs/dbraw/zinc/41/16/38/389411638.db2.gz QFOSTGQNLQSHPB-LBPRGKRZSA-N 2 2 260.341 0.976 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000269271629 389411701 /nfs/dbraw/zinc/41/17/01/389411701.db2.gz SQOPFFHHNLCVSE-GFCCVEGCSA-N 2 2 258.325 0.904 20 0 CCADLP CC(C)NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158958599 389355270 /nfs/dbraw/zinc/35/52/70/389355270.db2.gz NPMBQLVGEDIRPF-OLZOCXBDSA-N 2 2 253.390 0.927 20 0 CCADLP CC(C)NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158958599 389355274 /nfs/dbraw/zinc/35/52/74/389355274.db2.gz NPMBQLVGEDIRPF-OLZOCXBDSA-N 2 2 253.390 0.927 20 0 CCADLP CC(C)NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158958599 389355278 /nfs/dbraw/zinc/35/52/78/389355278.db2.gz NPMBQLVGEDIRPF-OLZOCXBDSA-N 2 2 253.390 0.927 20 0 CCADLP CC(C)NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158958599 389355283 /nfs/dbraw/zinc/35/52/83/389355283.db2.gz NPMBQLVGEDIRPF-OLZOCXBDSA-N 2 2 253.390 0.927 20 0 CCADLP OC1(CC[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CCC1 ZINC000411115944 389415744 /nfs/dbraw/zinc/41/57/44/389415744.db2.gz KNBVCRDJHWJKTN-CQSZACIVSA-N 2 2 268.401 0.946 20 0 CCADLP OC1(CC[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CCC1 ZINC000411115944 389415747 /nfs/dbraw/zinc/41/57/47/389415747.db2.gz KNBVCRDJHWJKTN-CQSZACIVSA-N 2 2 268.401 0.946 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000422733211 389461345 /nfs/dbraw/zinc/46/13/45/389461345.db2.gz QJUDLFPLICIHQN-QWHCGFSZSA-N 2 2 298.431 0.171 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000422733211 389461347 /nfs/dbraw/zinc/46/13/47/389461347.db2.gz QJUDLFPLICIHQN-QWHCGFSZSA-N 2 2 298.431 0.171 20 0 CCADLP C1CC1[C@H](N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[NH2+]CCO1 ZINC000422733371 389461368 /nfs/dbraw/zinc/46/13/68/389461368.db2.gz BDIHRNAXDYWIJL-SNPRPXQTSA-N 2 2 265.401 0.580 20 0 CCADLP C1CC1[C@H](N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[NH2+]CCO1 ZINC000422733371 389461372 /nfs/dbraw/zinc/46/13/72/389461372.db2.gz BDIHRNAXDYWIJL-SNPRPXQTSA-N 2 2 265.401 0.580 20 0 CCADLP C1CC1[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)[C@@H]1C[NH2+]CCO1 ZINC000422733371 389461375 /nfs/dbraw/zinc/46/13/75/389461375.db2.gz BDIHRNAXDYWIJL-SNPRPXQTSA-N 2 2 265.401 0.580 20 0 CCADLP CS[C@@H]1CN(Cc2c[nH+]cn2C)C[C@@H]1[NH+](C)C ZINC000272067722 389463239 /nfs/dbraw/zinc/46/32/39/389463239.db2.gz TZDZFESSSOCBNX-NWDGAFQWSA-N 2 2 254.403 0.898 20 0 CCADLP C[C@H]1C[N@H+](C)CCN1C(=O)C[NH+](C)[C@H]1CCSC1 ZINC000334514935 389493754 /nfs/dbraw/zinc/49/37/54/389493754.db2.gz MJOJWAIGSCVODC-RYUDHWBXSA-N 2 2 271.430 0.586 20 0 CCADLP O=C(NC[C@H]1CCC[NH2+]C1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000422751018 389467624 /nfs/dbraw/zinc/46/76/24/389467624.db2.gz AUODWFBSNQLIAH-ZFWWWQNUSA-N 2 2 295.427 0.746 20 0 CCADLP O=C(NC[C@H]1CCC[NH2+]C1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000422751018 389467628 /nfs/dbraw/zinc/46/76/28/389467628.db2.gz AUODWFBSNQLIAH-ZFWWWQNUSA-N 2 2 295.427 0.746 20 0 CCADLP C[C@H]1C[NH+](C)CCN1C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000334514935 389493761 /nfs/dbraw/zinc/49/37/61/389493761.db2.gz MJOJWAIGSCVODC-RYUDHWBXSA-N 2 2 271.430 0.586 20 0 CCADLP C[C@H]1C[NH+](C)CCN1C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000334514935 389493766 /nfs/dbraw/zinc/49/37/66/389493766.db2.gz MJOJWAIGSCVODC-RYUDHWBXSA-N 2 2 271.430 0.586 20 0 CCADLP C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422771345 389471073 /nfs/dbraw/zinc/47/10/73/389471073.db2.gz XYYRKUMZKBOJLN-OCCSQVGLSA-N 2 2 297.424 0.695 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)C[N@@H+](C)C(C)C)CC2 ZINC000373320541 389473497 /nfs/dbraw/zinc/47/34/97/389473497.db2.gz YERNVBXPTWLJJE-UHFFFAOYSA-N 2 2 250.346 0.874 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)C[N@H+](C)C(C)C)CC2 ZINC000373320541 389473500 /nfs/dbraw/zinc/47/35/00/389473500.db2.gz YERNVBXPTWLJJE-UHFFFAOYSA-N 2 2 250.346 0.874 20 0 CCADLP CC[NH2+]CCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000422778908 389473955 /nfs/dbraw/zinc/47/39/55/389473955.db2.gz FGQDBQKCJWLHCH-ZDUSSCGKSA-N 2 2 269.389 0.213 20 0 CCADLP CC[NH2+]CCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000422778908 389473959 /nfs/dbraw/zinc/47/39/59/389473959.db2.gz FGQDBQKCJWLHCH-ZDUSSCGKSA-N 2 2 269.389 0.213 20 0 CCADLP O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000422786853 389476206 /nfs/dbraw/zinc/47/62/06/389476206.db2.gz PDFPYGIDDCACBF-KBPBESRZSA-N 2 2 281.400 0.356 20 0 CCADLP O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000422786853 389476211 /nfs/dbraw/zinc/47/62/11/389476211.db2.gz PDFPYGIDDCACBF-KBPBESRZSA-N 2 2 281.400 0.356 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@](C)(F)C2)CC1 ZINC000334372993 389477112 /nfs/dbraw/zinc/47/71/12/389477112.db2.gz ZHJFWPPKNKAMKJ-OCCSQVGLSA-N 2 2 271.380 0.973 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@](C)(F)C2)CC1 ZINC000334372993 389477118 /nfs/dbraw/zinc/47/71/18/389477118.db2.gz ZHJFWPPKNKAMKJ-OCCSQVGLSA-N 2 2 271.380 0.973 20 0 CCADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1[nH+]ccn1C ZINC000171623822 389477279 /nfs/dbraw/zinc/47/72/79/389477279.db2.gz OIFFIBNPJSQFJX-LBPRGKRZSA-N 2 2 266.389 0.697 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000422822340 389482382 /nfs/dbraw/zinc/48/23/82/389482382.db2.gz AQPVKRIUJDJRPE-NSHDSACASA-N 2 2 273.340 0.853 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000422825491 389484224 /nfs/dbraw/zinc/48/42/24/389484224.db2.gz PUQCQUNBMZZAEA-LSDHHAIUSA-N 2 2 297.443 0.993 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000422825491 389484229 /nfs/dbraw/zinc/48/42/29/389484229.db2.gz PUQCQUNBMZZAEA-LSDHHAIUSA-N 2 2 297.443 0.993 20 0 CCADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000422827700 389484735 /nfs/dbraw/zinc/48/47/35/389484735.db2.gz FESRBQWTTOYPFO-GXTWGEPZSA-N 2 2 292.383 0.767 20 0 CCADLP C[C@@H](CO)[N@@H+]1CCCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000413256703 389486710 /nfs/dbraw/zinc/48/67/10/389486710.db2.gz MKAWDWLRCYRECO-LBPRGKRZSA-N 2 2 291.399 0.944 20 0 CCADLP C[C@@H](CO)[N@H+]1CCCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000413256703 389486712 /nfs/dbraw/zinc/48/67/12/389486712.db2.gz MKAWDWLRCYRECO-LBPRGKRZSA-N 2 2 291.399 0.944 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NCCNc2cccc[nH+]2)no1 ZINC000350106705 389488238 /nfs/dbraw/zinc/48/82/38/389488238.db2.gz RZCDPPZSBBHJGQ-UHFFFAOYSA-N 2 2 289.339 0.973 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC[C@H]1[NH3+] ZINC000422841037 389488321 /nfs/dbraw/zinc/48/83/21/389488321.db2.gz CMSUMIUDMYYXHA-BPLDGKMQSA-N 2 2 295.427 0.826 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC[C@H]1[NH3+] ZINC000422841037 389488323 /nfs/dbraw/zinc/48/83/23/389488323.db2.gz CMSUMIUDMYYXHA-BPLDGKMQSA-N 2 2 295.427 0.826 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCN1CCCCC1=O ZINC000422863529 389495137 /nfs/dbraw/zinc/49/51/37/389495137.db2.gz RUARRRLLHKWCOD-ZIAGYGMSSA-N 2 2 283.416 0.746 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC[C@H]1[NH3+] ZINC000422844626 389489508 /nfs/dbraw/zinc/48/95/08/389489508.db2.gz MLAWMCHHHWDUEB-YUELXQCFSA-N 2 2 295.427 0.683 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC[C@H]1[NH3+] ZINC000422844626 389489510 /nfs/dbraw/zinc/48/95/10/389489510.db2.gz MLAWMCHHHWDUEB-YUELXQCFSA-N 2 2 295.427 0.683 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000422847455 389490720 /nfs/dbraw/zinc/49/07/20/389490720.db2.gz IHKDUCWOGNUZJQ-CHWSQXEVSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000422847455 389490724 /nfs/dbraw/zinc/49/07/24/389490724.db2.gz IHKDUCWOGNUZJQ-CHWSQXEVSA-N 2 2 298.431 0.029 20 0 CCADLP OCC1([NH2+]Cc2cccc3[nH+]ccn32)CCOCC1 ZINC000269473275 389419815 /nfs/dbraw/zinc/41/98/15/389419815.db2.gz PAJNQYOQMMDXKI-UHFFFAOYSA-N 2 2 261.325 0.965 20 0 CCADLP CNS(=O)(=O)[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000162621243 389422712 /nfs/dbraw/zinc/42/27/12/389422712.db2.gz ZMXFQCVINWWROW-NWDGAFQWSA-N 2 2 275.418 0.094 20 0 CCADLP CNS(=O)(=O)[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000162621243 389422713 /nfs/dbraw/zinc/42/27/13/389422713.db2.gz ZMXFQCVINWWROW-NWDGAFQWSA-N 2 2 275.418 0.094 20 0 CCADLP CNS(=O)(=O)[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000162621243 389422714 /nfs/dbraw/zinc/42/27/14/389422714.db2.gz ZMXFQCVINWWROW-NWDGAFQWSA-N 2 2 275.418 0.094 20 0 CCADLP CNS(=O)(=O)[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000162621243 389422716 /nfs/dbraw/zinc/42/27/16/389422716.db2.gz ZMXFQCVINWWROW-NWDGAFQWSA-N 2 2 275.418 0.094 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000333599327 389434246 /nfs/dbraw/zinc/43/42/46/389434246.db2.gz MGOBATFIKUWENX-AWEZNQCLSA-N 2 2 291.399 0.842 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1 ZINC000333599327 389434249 /nfs/dbraw/zinc/43/42/49/389434249.db2.gz MGOBATFIKUWENX-AWEZNQCLSA-N 2 2 291.399 0.842 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)C(C)(C)C[NH3+])CC1 ZINC000164465269 389434273 /nfs/dbraw/zinc/43/42/73/389434273.db2.gz VWPJCLHBQIFAGQ-UHFFFAOYSA-N 2 2 257.378 0.152 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000333844440 389445977 /nfs/dbraw/zinc/44/59/77/389445977.db2.gz OXQPGAIMKUENPJ-PWSUYJOCSA-N 2 2 263.345 0.406 20 0 CCADLP C[C@H]([C@H](C)NC(=O)C(C)(C)C[NH3+])[NH+]1CCOCC1 ZINC000167688675 389446607 /nfs/dbraw/zinc/44/66/07/389446607.db2.gz MFGCLZPDOVCTJU-WDEREUQCSA-N 2 2 257.378 0.197 20 0 CCADLP CCOC(=O)[C@](C)(O)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000372477187 389452084 /nfs/dbraw/zinc/45/20/84/389452084.db2.gz BCTXONFKXIUORM-CQSZACIVSA-N 2 2 284.400 0.861 20 0 CCADLP CCOC(=O)[C@](C)(O)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000372477187 389452085 /nfs/dbraw/zinc/45/20/85/389452085.db2.gz BCTXONFKXIUORM-CQSZACIVSA-N 2 2 284.400 0.861 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1COCC[NH2+]1 ZINC000169108386 389452893 /nfs/dbraw/zinc/45/28/93/389452893.db2.gz CNCKILYVUOSTQQ-KGLIPLIRSA-N 2 2 281.400 0.356 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1COCC[NH2+]1 ZINC000169108386 389452897 /nfs/dbraw/zinc/45/28/97/389452897.db2.gz CNCKILYVUOSTQQ-KGLIPLIRSA-N 2 2 281.400 0.356 20 0 CCADLP CCCC[N@@H+](C)CCN[C@H]1CC[NH2+][C@H]1C(=O)OCC ZINC000422707112 389454943 /nfs/dbraw/zinc/45/49/43/389454943.db2.gz GSOFEMHWVBVLAY-QWHCGFSZSA-N 2 2 271.405 0.602 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000422980001 389516136 /nfs/dbraw/zinc/51/61/36/389516136.db2.gz OHCMVXPFEXINSU-MJBXVCDLSA-N 3 2 257.422 0.795 20 0 CCADLP CCc1nn(C)c(OC)c1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000422991208 389518205 /nfs/dbraw/zinc/51/82/05/389518205.db2.gz ORXAZNUCQZLGRW-ZYHUDNBSSA-N 2 2 252.362 0.961 20 0 CCADLP CCc1nn(C)c(OC)c1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422991207 389518449 /nfs/dbraw/zinc/51/84/49/389518449.db2.gz ORXAZNUCQZLGRW-PWSUYJOCSA-N 2 2 252.362 0.961 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCC[N@@H+]1CCCC(C)(C)C1 ZINC000423068911 389528720 /nfs/dbraw/zinc/52/87/20/389528720.db2.gz AEXAWKDZZUNMTA-UONOGXRCSA-N 2 2 297.443 0.992 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCC[N@H+]1CCCC(C)(C)C1 ZINC000423068911 389528721 /nfs/dbraw/zinc/52/87/21/389528721.db2.gz AEXAWKDZZUNMTA-UONOGXRCSA-N 2 2 297.443 0.992 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000423088203 389532539 /nfs/dbraw/zinc/53/25/39/389532539.db2.gz RHDDDFYAIGLGSZ-MELADBBJSA-N 2 2 297.443 0.990 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000423088203 389532542 /nfs/dbraw/zinc/53/25/42/389532542.db2.gz RHDDDFYAIGLGSZ-MELADBBJSA-N 2 2 297.443 0.990 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000374011384 389536309 /nfs/dbraw/zinc/53/63/09/389536309.db2.gz BVBNHEYQGXLOBQ-JHJVBQTASA-N 2 2 267.373 0.060 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000374011384 389536311 /nfs/dbraw/zinc/53/63/11/389536311.db2.gz BVBNHEYQGXLOBQ-JHJVBQTASA-N 2 2 267.373 0.060 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000374011384 389536313 /nfs/dbraw/zinc/53/63/13/389536313.db2.gz BVBNHEYQGXLOBQ-JHJVBQTASA-N 2 2 267.373 0.060 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000374011384 389536316 /nfs/dbraw/zinc/53/63/16/389536316.db2.gz BVBNHEYQGXLOBQ-JHJVBQTASA-N 2 2 267.373 0.060 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C ZINC000423113858 389536790 /nfs/dbraw/zinc/53/67/90/389536790.db2.gz ZKIIKXZSHFUFGU-SYQHCUMBSA-N 2 2 288.432 0.501 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000423150269 389544622 /nfs/dbraw/zinc/54/46/22/389544622.db2.gz IMWQAXJMYKZSKS-TUVASFSCSA-N 2 2 283.416 0.206 20 0 CCADLP C[C@@H]1CC[C@H](C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)O1 ZINC000423168605 389547868 /nfs/dbraw/zinc/54/78/68/389547868.db2.gz USWJAOIKQNGCLQ-ZZVYKPCYSA-N 2 2 254.374 0.911 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1NCC1([NH3+])CCCCC1 ZINC000423181722 389549396 /nfs/dbraw/zinc/54/93/96/389549396.db2.gz PIYUENYDDKGFLR-NEPJUHHUSA-N 2 2 269.389 0.531 20 0 CCADLP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CC1([NH3+])CCCCC1 ZINC000423181722 389549400 /nfs/dbraw/zinc/54/94/00/389549400.db2.gz PIYUENYDDKGFLR-NEPJUHHUSA-N 2 2 269.389 0.531 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000368469104 285340748 /nfs/dbraw/zinc/34/07/48/285340748.db2.gz DYWZCPOWHRLLQA-CYBMUJFWSA-N 2 2 269.389 0.260 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000368469104 285340753 /nfs/dbraw/zinc/34/07/53/285340753.db2.gz DYWZCPOWHRLLQA-CYBMUJFWSA-N 2 2 269.389 0.260 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@@H]([NH3+])C2CCC2)CC1 ZINC000423313299 389563307 /nfs/dbraw/zinc/56/33/07/389563307.db2.gz FJGNUODMXQEOIC-ZDUSSCGKSA-N 2 2 269.389 0.295 20 0 CCADLP C[C@H]1C[N@H+](CCO)CCN1c1cc(NC2CC2)[nH+]cn1 ZINC000413330116 389497451 /nfs/dbraw/zinc/49/74/51/389497451.db2.gz YCPDVBCHONKONO-NSHDSACASA-N 2 2 277.372 0.554 20 0 CCADLP C[C@H]1C[N@@H+](CCO)CCN1c1cc(NC2CC2)[nH+]cn1 ZINC000413330116 389497455 /nfs/dbraw/zinc/49/74/55/389497455.db2.gz YCPDVBCHONKONO-NSHDSACASA-N 2 2 277.372 0.554 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000373587582 389498889 /nfs/dbraw/zinc/49/88/89/389498889.db2.gz XTYTURUZQQNJJO-OAHLLOKOSA-N 2 2 295.427 0.651 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000373587582 389498892 /nfs/dbraw/zinc/49/88/92/389498892.db2.gz XTYTURUZQQNJJO-OAHLLOKOSA-N 2 2 295.427 0.651 20 0 CCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000334798885 389505228 /nfs/dbraw/zinc/50/52/28/389505228.db2.gz AGSSCYDQGNPZNG-NEPJUHHUSA-N 2 2 262.357 0.608 20 0 CCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000334798885 389505230 /nfs/dbraw/zinc/50/52/30/389505230.db2.gz AGSSCYDQGNPZNG-NEPJUHHUSA-N 2 2 262.357 0.608 20 0 CCADLP CC(C)N1C[C@@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)CC1=O ZINC000414362872 389612359 /nfs/dbraw/zinc/61/23/59/389612359.db2.gz WMAASJANNIPYIF-NSHDSACASA-N 2 2 279.388 0.585 20 0 CCADLP CCCn1cc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)cn1 ZINC000414958835 389647732 /nfs/dbraw/zinc/64/77/32/389647732.db2.gz DOFWCRXMVZTFJR-ZDUSSCGKSA-N 2 2 251.378 0.286 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000414673966 389626151 /nfs/dbraw/zinc/62/61/51/389626151.db2.gz ROPRINUIOHJFQE-CHWSQXEVSA-N 2 2 291.461 0.621 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000414673966 389626156 /nfs/dbraw/zinc/62/61/56/389626156.db2.gz ROPRINUIOHJFQE-CHWSQXEVSA-N 2 2 291.461 0.621 20 0 CCADLP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC[NH2+]1 ZINC000414719372 389631944 /nfs/dbraw/zinc/63/19/44/389631944.db2.gz YECVSVOPKGPPIP-QLFBSQMISA-N 3 2 294.443 0.271 20 0 CCADLP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC[NH2+]1 ZINC000414719372 389631948 /nfs/dbraw/zinc/63/19/48/389631948.db2.gz YECVSVOPKGPPIP-QLFBSQMISA-N 3 2 294.443 0.271 20 0 CCADLP CCOC(=O)Cn1nc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)c1C ZINC000414780721 389637470 /nfs/dbraw/zinc/63/74/70/389637470.db2.gz HBNJZGRASMOESY-TZMCWYRMSA-N 2 2 294.399 0.985 20 0 CCADLP CCOC(=O)Cn1nc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)c1C ZINC000414780721 389637473 /nfs/dbraw/zinc/63/74/73/389637473.db2.gz HBNJZGRASMOESY-TZMCWYRMSA-N 2 2 294.399 0.985 20 0 CCADLP COCCO[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351621527 389638115 /nfs/dbraw/zinc/63/81/15/389638115.db2.gz QCLDXOMSPPHFME-UONOGXRCSA-N 2 2 272.389 0.179 20 0 CCADLP COCCO[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351621527 389638117 /nfs/dbraw/zinc/63/81/17/389638117.db2.gz QCLDXOMSPPHFME-UONOGXRCSA-N 2 2 272.389 0.179 20 0 CCADLP COCCO[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000351621527 389638121 /nfs/dbraw/zinc/63/81/21/389638121.db2.gz QCLDXOMSPPHFME-UONOGXRCSA-N 2 2 272.389 0.179 20 0 CCADLP COCCO[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351621527 389638123 /nfs/dbraw/zinc/63/81/23/389638123.db2.gz QCLDXOMSPPHFME-UONOGXRCSA-N 2 2 272.389 0.179 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCOC1 ZINC000179152779 389641912 /nfs/dbraw/zinc/64/19/12/389641912.db2.gz RIPAQHBZFWIHDH-CYBMUJFWSA-N 2 2 298.431 0.443 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCOC1 ZINC000179152779 389641915 /nfs/dbraw/zinc/64/19/15/389641915.db2.gz RIPAQHBZFWIHDH-CYBMUJFWSA-N 2 2 298.431 0.443 20 0 CCADLP COCC[NH2+]CC[NH2+]C1CCC(C(=O)OC)CC1 ZINC000414886856 389643336 /nfs/dbraw/zinc/64/33/36/389643336.db2.gz PZHCEHDUBQKCJQ-UHFFFAOYSA-N 2 2 258.362 0.544 20 0 CCADLP C(C[C@H]1CCC[NH2+]1)[NH2+][C@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423355255 389572890 /nfs/dbraw/zinc/57/28/90/389572890.db2.gz FBPUIUHKAQUTKA-QPSCCSFWSA-N 3 2 267.417 0.875 20 0 CCADLP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335561280 389575677 /nfs/dbraw/zinc/57/56/77/389575677.db2.gz ZAFNPIFAYJWFCA-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335561280 389575680 /nfs/dbraw/zinc/57/56/80/389575680.db2.gz ZAFNPIFAYJWFCA-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1cccc(S(N)(=O)=O)c1 ZINC000423378759 389576329 /nfs/dbraw/zinc/57/63/29/389576329.db2.gz ZTYCRLGTEMPPPD-SUNKGSAMSA-N 2 2 297.424 0.983 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@@H+]1CCOC[C@@H]1C)[C@H](C)[NH3+] ZINC000423384896 389576367 /nfs/dbraw/zinc/57/63/67/389576367.db2.gz QLPDYNYNEOZDMP-AVGNSLFASA-N 2 2 271.405 0.443 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@H+]1CCOC[C@@H]1C)[C@H](C)[NH3+] ZINC000423384896 389576372 /nfs/dbraw/zinc/57/63/72/389576372.db2.gz QLPDYNYNEOZDMP-AVGNSLFASA-N 2 2 271.405 0.443 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000279557872 389588165 /nfs/dbraw/zinc/58/81/65/389588165.db2.gz YGKXNBFFFKXNJV-SECBINFHSA-N 2 2 250.346 0.860 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000279557872 389588167 /nfs/dbraw/zinc/58/81/67/389588167.db2.gz YGKXNBFFFKXNJV-SECBINFHSA-N 2 2 250.346 0.860 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000279557872 389588168 /nfs/dbraw/zinc/58/81/68/389588168.db2.gz YGKXNBFFFKXNJV-SECBINFHSA-N 2 2 250.346 0.860 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000279557872 389588169 /nfs/dbraw/zinc/58/81/69/389588169.db2.gz YGKXNBFFFKXNJV-SECBINFHSA-N 2 2 250.346 0.860 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@H](C)[NH3+] ZINC000423449365 389588739 /nfs/dbraw/zinc/58/87/39/389588739.db2.gz WGVGKKCQOXXRGJ-DZGCQCFKSA-N 3 2 298.475 0.748 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000423460056 389590638 /nfs/dbraw/zinc/59/06/38/389590638.db2.gz INPWYNYDPUYNMS-BPLDGKMQSA-N 2 2 295.427 0.683 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000423460056 389590642 /nfs/dbraw/zinc/59/06/42/389590642.db2.gz INPWYNYDPUYNMS-BPLDGKMQSA-N 2 2 295.427 0.683 20 0 CCADLP C[C@@H](C[NH3+])CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000423463192 389590905 /nfs/dbraw/zinc/59/09/05/389590905.db2.gz VAMKWIBEMZERNT-JTQLQIEISA-N 2 2 259.313 0.592 20 0 CCADLP COC(=O)c1cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c[nH]1 ZINC000414930737 389645756 /nfs/dbraw/zinc/64/57/56/389645756.db2.gz PEOSVFCLSMZIFX-JOYOIKCWSA-N 2 2 251.330 0.889 20 0 CCADLP C[C@H](CC[NH3+])NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000423504436 389596212 /nfs/dbraw/zinc/59/62/12/389596212.db2.gz GLFMTLBOWPWFTA-YPMHNXCESA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H](CC[NH3+])NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000423504436 389596216 /nfs/dbraw/zinc/59/62/16/389596216.db2.gz GLFMTLBOWPWFTA-YPMHNXCESA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423512320 389597221 /nfs/dbraw/zinc/59/72/21/389597221.db2.gz PRXGMCGFPVLRNL-PRLABOORSA-N 3 2 280.460 0.790 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423512320 389597228 /nfs/dbraw/zinc/59/72/28/389597228.db2.gz PRXGMCGFPVLRNL-PRLABOORSA-N 3 2 280.460 0.790 20 0 CCADLP Cn1c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)nnc1C1CC1 ZINC000351501441 389597825 /nfs/dbraw/zinc/59/78/25/389597825.db2.gz YBCOHCVZDIHLGB-SRVKXCTJSA-N 2 2 261.373 0.862 20 0 CCADLP Cn1c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)nnc1C1CC1 ZINC000351501441 389597829 /nfs/dbraw/zinc/59/78/29/389597829.db2.gz YBCOHCVZDIHLGB-SRVKXCTJSA-N 2 2 261.373 0.862 20 0 CCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000351505710 389598367 /nfs/dbraw/zinc/59/83/67/389598367.db2.gz BZRKYOSRQQGAQY-HUUCEWRRSA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000351505710 389598373 /nfs/dbraw/zinc/59/83/73/389598373.db2.gz BZRKYOSRQQGAQY-HUUCEWRRSA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000351505710 389598376 /nfs/dbraw/zinc/59/83/76/389598376.db2.gz BZRKYOSRQQGAQY-HUUCEWRRSA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000351505710 389598380 /nfs/dbraw/zinc/59/83/80/389598380.db2.gz BZRKYOSRQQGAQY-HUUCEWRRSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@H](CC[NH3+])NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000423531598 389599787 /nfs/dbraw/zinc/59/97/87/389599787.db2.gz QOFYZFUCIKKIKT-DGCLKSJQSA-N 2 2 269.389 0.483 20 0 CCADLP C[C@H](CC[NH3+])NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000423531598 389599792 /nfs/dbraw/zinc/59/97/92/389599792.db2.gz QOFYZFUCIKKIKT-DGCLKSJQSA-N 2 2 269.389 0.483 20 0 CCADLP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)cn1 ZINC000414109808 389600733 /nfs/dbraw/zinc/60/07/33/389600733.db2.gz HNZZFTBFBFRIMJ-HIFRSBDPSA-N 2 2 292.427 0.857 20 0 CCADLP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cn1 ZINC000414109808 389600738 /nfs/dbraw/zinc/60/07/38/389600738.db2.gz HNZZFTBFBFRIMJ-HIFRSBDPSA-N 2 2 292.427 0.857 20 0 CCADLP C[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1C[C@H]1C ZINC000414107741 389601231 /nfs/dbraw/zinc/60/12/31/389601231.db2.gz ZDHOFAMWJKVPCG-QPSCCSFWSA-N 2 2 295.427 0.554 20 0 CCADLP CC[C@@H]([NH3+])C[NH2+]Cc1c(C)nn(CCC(=O)OC)c1C ZINC000414986613 389651705 /nfs/dbraw/zinc/65/17/05/389651705.db2.gz XWPVAZQLFZNZPR-GFCCVEGCSA-N 2 2 282.388 0.890 20 0 CCADLP C[N@@H+](Cc1cnn(Cc2ccccc2)c1)C[C@@H](O)C[NH3+] ZINC000415062318 389654182 /nfs/dbraw/zinc/65/41/82/389654182.db2.gz YDTITJJVJSFTTJ-HNNXBMFYSA-N 2 2 274.368 0.683 20 0 CCADLP C[N@H+](Cc1cnn(Cc2ccccc2)c1)C[C@@H](O)C[NH3+] ZINC000415062318 389654187 /nfs/dbraw/zinc/65/41/87/389654187.db2.gz YDTITJJVJSFTTJ-HNNXBMFYSA-N 2 2 274.368 0.683 20 0 CCADLP Cc1cc(N2CC[C@H]([NH2+]C[C@H]([NH3+])CC(C)C)C2=O)n(C)n1 ZINC000415086329 389657572 /nfs/dbraw/zinc/65/75/72/389657572.db2.gz UJUWTURCNQDUOL-OLZOCXBDSA-N 2 2 293.415 0.797 20 0 CCADLP C[C@@H](CN1CCOCC1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181117343 389681056 /nfs/dbraw/zinc/68/10/56/389681056.db2.gz FFAFFUJCQFJBQD-AWEZNQCLSA-N 2 2 266.389 0.926 20 0 CCADLP C[C@@H](CN1CCOCC1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181117343 389681059 /nfs/dbraw/zinc/68/10/59/389681059.db2.gz FFAFFUJCQFJBQD-AWEZNQCLSA-N 2 2 266.389 0.926 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ncccn2)C1 ZINC000351854819 389699214 /nfs/dbraw/zinc/69/92/14/389699214.db2.gz RSRUFDYNMWVTRJ-DCAQKATOSA-N 2 2 263.345 0.473 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ncccn2)C1 ZINC000351854819 389699218 /nfs/dbraw/zinc/69/92/18/389699218.db2.gz RSRUFDYNMWVTRJ-DCAQKATOSA-N 2 2 263.345 0.473 20 0 CCADLP CO[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000429528115 389759096 /nfs/dbraw/zinc/75/90/96/389759096.db2.gz OEECKGYQNFGWAJ-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP Cc1nnsc1C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000384295541 389765886 /nfs/dbraw/zinc/76/58/86/389765886.db2.gz XDPPXOYMNSUEMX-UHFFFAOYSA-N 2 2 266.374 0.936 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@H]1CCCOC1 ZINC000389094964 389771639 /nfs/dbraw/zinc/77/16/39/389771639.db2.gz NNDOCKPYBKREEF-ZIAGYGMSSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@H]1CCCOC1 ZINC000389094964 389771640 /nfs/dbraw/zinc/77/16/40/389771640.db2.gz NNDOCKPYBKREEF-ZIAGYGMSSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@H]1CCCOC1 ZINC000389094964 389771642 /nfs/dbraw/zinc/77/16/42/389771642.db2.gz NNDOCKPYBKREEF-ZIAGYGMSSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@H]1CCCOC1 ZINC000389094964 389771646 /nfs/dbraw/zinc/77/16/46/389771646.db2.gz NNDOCKPYBKREEF-ZIAGYGMSSA-N 2 2 274.405 0.284 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)CC[NH2+]1 ZINC000416812357 389772991 /nfs/dbraw/zinc/77/29/91/389772991.db2.gz DVBOMRJAOOEDFY-OLZOCXBDSA-N 2 2 298.431 0.537 20 0 CCADLP CC1(C(=O)N2CC[NH+](Cc3cccnc3)CC2)C[NH2+]C1 ZINC000399157759 389789401 /nfs/dbraw/zinc/78/94/01/389789401.db2.gz BXEKTLVWGLJLGA-UHFFFAOYSA-N 2 2 274.368 0.335 20 0 CCADLP C[NH2+][C@@H]1CCCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000417019428 389790234 /nfs/dbraw/zinc/79/02/34/389790234.db2.gz GERWJEGABIRCSF-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000417027734 389790944 /nfs/dbraw/zinc/79/09/44/389790944.db2.gz NZJKHSYJMHBWHB-UPJWGTAASA-N 2 2 284.404 0.099 20 0 CCADLP COCC1(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000351978366 389728754 /nfs/dbraw/zinc/72/87/54/389728754.db2.gz RQSFMQKBOFHRFX-UHFFFAOYSA-N 2 2 283.416 0.555 20 0 CCADLP C[NH+](C)C1(CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000416307924 389731651 /nfs/dbraw/zinc/73/16/51/389731651.db2.gz NKQZMRXLQZWLBV-CQSZACIVSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+](C)C1(CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000416307924 389731654 /nfs/dbraw/zinc/73/16/54/389731654.db2.gz NKQZMRXLQZWLBV-CQSZACIVSA-N 2 2 295.427 0.698 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cnc(C)nc3)C2)CC1 ZINC000352046093 389741265 /nfs/dbraw/zinc/74/12/65/389741265.db2.gz KDNVWRLZXCIFBE-INIZCTEOSA-N 2 2 289.427 0.997 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnc(C)nc3)C2)CC1 ZINC000352046093 389741268 /nfs/dbraw/zinc/74/12/68/389741268.db2.gz KDNVWRLZXCIFBE-INIZCTEOSA-N 2 2 289.427 0.997 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC(F)(F)C[NH3+] ZINC000416438090 389743849 /nfs/dbraw/zinc/74/38/49/389743849.db2.gz NMZSMZUCVUYNSX-QMMMGPOBSA-N 2 2 261.276 0.165 20 0 CCADLP c1cc(NCC[NH+]2CCCCC2)nc(N2CCOCC2)[nH+]1 ZINC000352410644 389806499 /nfs/dbraw/zinc/80/64/99/389806499.db2.gz SGYVLCOPYAVWMU-UHFFFAOYSA-N 2 2 291.399 0.633 20 0 CCADLP C[C@H]1CCC[N@H+](CCCS(=O)(=O)N(C)C)[C@H]1C[NH3+] ZINC000430570334 389808380 /nfs/dbraw/zinc/80/83/80/389808380.db2.gz GFDUTYVBJSQNTL-RYUDHWBXSA-N 2 2 277.434 0.327 20 0 CCADLP C[C@H]1CCC[N@@H+](CCCS(=O)(=O)N(C)C)[C@H]1C[NH3+] ZINC000430570334 389808382 /nfs/dbraw/zinc/80/83/82/389808382.db2.gz GFDUTYVBJSQNTL-RYUDHWBXSA-N 2 2 277.434 0.327 20 0 CCADLP C[N@H+](Cc1cc(=O)n2[nH]ccc2n1)CC(C)(C)C[NH3+] ZINC000430580708 389809063 /nfs/dbraw/zinc/80/90/63/389809063.db2.gz SIPVECJCMLTLHP-UHFFFAOYSA-N 2 2 263.345 0.439 20 0 CCADLP C[N@@H+](Cc1cc(=O)n2[nH]ccc2n1)CC(C)(C)C[NH3+] ZINC000430580708 389809065 /nfs/dbraw/zinc/80/90/65/389809065.db2.gz SIPVECJCMLTLHP-UHFFFAOYSA-N 2 2 263.345 0.439 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430604570 389811929 /nfs/dbraw/zinc/81/19/29/389811929.db2.gz NVMYHBZPEGNBCK-RYUDHWBXSA-N 2 2 284.404 0.527 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430604570 389811933 /nfs/dbraw/zinc/81/19/33/389811933.db2.gz NVMYHBZPEGNBCK-RYUDHWBXSA-N 2 2 284.404 0.527 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430610465 389812795 /nfs/dbraw/zinc/81/27/95/389812795.db2.gz KQGRHHFSNWLVFR-VHSXEESVSA-N 2 2 268.361 0.034 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430610465 389812797 /nfs/dbraw/zinc/81/27/97/389812797.db2.gz KQGRHHFSNWLVFR-VHSXEESVSA-N 2 2 268.361 0.034 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C1 ZINC000430616139 389813010 /nfs/dbraw/zinc/81/30/10/389813010.db2.gz DYNZFDOZVHHLPV-RRFJBIMHSA-N 2 2 295.427 0.827 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C1 ZINC000430616139 389813012 /nfs/dbraw/zinc/81/30/12/389813012.db2.gz DYNZFDOZVHHLPV-RRFJBIMHSA-N 2 2 295.427 0.827 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000417428589 389814570 /nfs/dbraw/zinc/81/45/70/389814570.db2.gz SQKKPXPCUCASRN-GFCCVEGCSA-N 2 2 286.420 0.252 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000417428589 389814574 /nfs/dbraw/zinc/81/45/74/389814574.db2.gz SQKKPXPCUCASRN-GFCCVEGCSA-N 2 2 286.420 0.252 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CCO1 ZINC000417427290 389815288 /nfs/dbraw/zinc/81/52/88/389815288.db2.gz PNUOXGGFZMFDPC-CHWSQXEVSA-N 2 2 298.431 0.524 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CCO1 ZINC000417427290 389815289 /nfs/dbraw/zinc/81/52/89/389815289.db2.gz PNUOXGGFZMFDPC-CHWSQXEVSA-N 2 2 298.431 0.524 20 0 CCADLP [NH3+][C@H]1CC[N@H+](CCC(=O)NC(=O)Nc2ccccc2)C1 ZINC000430644482 389816022 /nfs/dbraw/zinc/81/60/22/389816022.db2.gz YUQASBNIOMJLPT-NSHDSACASA-N 2 2 276.340 0.758 20 0 CCADLP [NH3+][C@H]1CC[N@@H+](CCC(=O)NC(=O)Nc2ccccc2)C1 ZINC000430644482 389816023 /nfs/dbraw/zinc/81/60/23/389816023.db2.gz YUQASBNIOMJLPT-NSHDSACASA-N 2 2 276.340 0.758 20 0 CCADLP [NH3+]CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccncc1 ZINC000352503250 389820378 /nfs/dbraw/zinc/82/03/78/389820378.db2.gz DDGHNUCYUJEUFE-CYBMUJFWSA-N 2 2 262.357 0.645 20 0 CCADLP [NH3+]CC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccncc1 ZINC000352503250 389820381 /nfs/dbraw/zinc/82/03/81/389820381.db2.gz DDGHNUCYUJEUFE-CYBMUJFWSA-N 2 2 262.357 0.645 20 0 CCADLP COCC[C@]1(C(=O)NCc2[nH]cc[nH+]2)CC[NH2+]C1 ZINC000430720679 389820397 /nfs/dbraw/zinc/82/03/97/389820397.db2.gz ALQXHAVMMVOISQ-GFCCVEGCSA-N 2 2 252.318 0.042 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC(C)(C)OCCO ZINC000352504957 389821133 /nfs/dbraw/zinc/82/11/33/389821133.db2.gz WMSYSZGPMWYCPF-YPMHNXCESA-N 2 2 256.390 0.846 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC(C)(C)OCCO ZINC000352504957 389821135 /nfs/dbraw/zinc/82/11/35/389821135.db2.gz WMSYSZGPMWYCPF-YPMHNXCESA-N 2 2 256.390 0.846 20 0 CCADLP O=C(C[C@H]1C[NH2+]CCO1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000430772318 389824237 /nfs/dbraw/zinc/82/42/37/389824237.db2.gz KUFRMBNLUXYEKP-LBPRGKRZSA-N 2 2 278.356 0.494 20 0 CCADLP O=C(C[C@H]1C[NH2+]CCO1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000430772318 389824240 /nfs/dbraw/zinc/82/42/40/389824240.db2.gz KUFRMBNLUXYEKP-LBPRGKRZSA-N 2 2 278.356 0.494 20 0 CCADLP O=C([C@H]1C[NH2+]CCO1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000430770898 389824569 /nfs/dbraw/zinc/82/45/69/389824569.db2.gz AEWCRCLPMLWARD-GFCCVEGCSA-N 2 2 264.329 0.104 20 0 CCADLP O=C([C@H]1C[NH2+]CCO1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000430770898 389824570 /nfs/dbraw/zinc/82/45/70/389824570.db2.gz AEWCRCLPMLWARD-GFCCVEGCSA-N 2 2 264.329 0.104 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000417517394 389825434 /nfs/dbraw/zinc/82/54/34/389825434.db2.gz IUVCIAHGHSVQJX-REWJHTLYSA-N 2 2 298.431 0.522 20 0 CCADLP C[C@H](NC(=O)N[C@@H](C[NH3+])C1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000417522200 389826019 /nfs/dbraw/zinc/82/60/19/389826019.db2.gz PYFAUEFYRWQVIL-GVXVVHGQSA-N 2 2 284.404 0.132 20 0 CCADLP C[C@H](CC(=O)NCC[N@@H+]1CCOC[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000430878053 389830782 /nfs/dbraw/zinc/83/07/82/389830782.db2.gz GRBILCUMBTVMJA-QLFBSQMISA-N 2 2 297.443 0.849 20 0 CCADLP C[C@H](CC(=O)NCC[N@H+]1CCOC[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000430878053 389830784 /nfs/dbraw/zinc/83/07/84/389830784.db2.gz GRBILCUMBTVMJA-QLFBSQMISA-N 2 2 297.443 0.849 20 0 CCADLP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000430878317 389830805 /nfs/dbraw/zinc/83/08/05/389830805.db2.gz IHUWUAPIBRNDMP-UPJWGTAASA-N 2 2 269.389 0.354 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NCCOCCC(C)C)C1 ZINC000430930230 389836318 /nfs/dbraw/zinc/83/63/18/389836318.db2.gz XMGKGDFTZFTSBH-CQSZACIVSA-N 2 2 285.432 0.707 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NCCOCCC(C)C)C1 ZINC000430930230 389836320 /nfs/dbraw/zinc/83/63/20/389836320.db2.gz XMGKGDFTZFTSBH-CQSZACIVSA-N 2 2 285.432 0.707 20 0 CCADLP Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH3+])C2)on1 ZINC000430930445 389836720 /nfs/dbraw/zinc/83/67/20/389836720.db2.gz ATHWTMKWXNFCAM-NXEZZACHSA-N 2 2 252.318 0.591 20 0 CCADLP Cc1cc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH3+])C2)on1 ZINC000430930445 389836722 /nfs/dbraw/zinc/83/67/22/389836722.db2.gz ATHWTMKWXNFCAM-NXEZZACHSA-N 2 2 252.318 0.591 20 0 CCADLP CC(C)[N@H+](C)CCCNC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000352774814 389837014 /nfs/dbraw/zinc/83/70/14/389837014.db2.gz XFKQCHOHBSVDRF-AWEZNQCLSA-N 2 2 284.448 0.469 20 0 CCADLP CC(C)[N@@H+](C)CCCNC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000352774814 389837016 /nfs/dbraw/zinc/83/70/16/389837016.db2.gz XFKQCHOHBSVDRF-AWEZNQCLSA-N 2 2 284.448 0.469 20 0 CCADLP CCOc1cccc(CNC(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000430940482 389837829 /nfs/dbraw/zinc/83/78/29/389837829.db2.gz PGSXLKGNXCTTMF-CQSZACIVSA-N 2 2 291.395 0.982 20 0 CCADLP CCOc1cccc(CNC(=O)C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000430940482 389837832 /nfs/dbraw/zinc/83/78/32/389837832.db2.gz PGSXLKGNXCTTMF-CQSZACIVSA-N 2 2 291.395 0.982 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC[C@@H]2CCCO2)C1 ZINC000430948201 389838447 /nfs/dbraw/zinc/83/84/47/389838447.db2.gz HKCNZYNGJXQLGD-AGIUHOORSA-N 2 2 269.389 0.211 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)C(=O)NC[C@@H]2CCCO2)C1 ZINC000430948201 389838449 /nfs/dbraw/zinc/83/84/49/389838449.db2.gz HKCNZYNGJXQLGD-AGIUHOORSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)NCc2cccnc2)CC[C@H]1[NH3+] ZINC000430956929 389840520 /nfs/dbraw/zinc/84/05/20/389840520.db2.gz QPTGVZBIYPGRNP-DGCLKSJQSA-N 2 2 262.357 0.367 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)NCc2cccnc2)CC[C@H]1[NH3+] ZINC000430956929 389840522 /nfs/dbraw/zinc/84/05/22/389840522.db2.gz QPTGVZBIYPGRNP-DGCLKSJQSA-N 2 2 262.357 0.367 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)NC(C2CC2)C2CC2)CC[C@H]1[NH3+] ZINC000430969170 389841712 /nfs/dbraw/zinc/84/17/12/389841712.db2.gz CDIZLTAVIVPYAS-GXFFZTMASA-N 2 2 265.401 0.960 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)NC(C2CC2)C2CC2)CC[C@H]1[NH3+] ZINC000430969170 389841714 /nfs/dbraw/zinc/84/17/14/389841714.db2.gz CDIZLTAVIVPYAS-GXFFZTMASA-N 2 2 265.401 0.960 20 0 CCADLP Cn1cc(C[NH+]2CCN(C(=O)C3([NH3+])CCCC3)CC2)cn1 ZINC000431008372 389844112 /nfs/dbraw/zinc/84/41/12/389844112.db2.gz JFDLJYOSBYICQT-UHFFFAOYSA-N 2 2 291.399 0.336 20 0 CCADLP CC[C@@H](Cn1cncn1)[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000353275451 389848620 /nfs/dbraw/zinc/84/86/20/389848620.db2.gz JUPHPGOLGIUMNX-KBPBESRZSA-N 2 2 281.404 0.757 20 0 CCADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCNS(=O)(=O)c1ccccc1 ZINC000442764445 389862013 /nfs/dbraw/zinc/86/20/13/389862013.db2.gz TWCHFIBXEZZXNR-QWHCGFSZSA-N 2 2 297.424 0.634 20 0 CCADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCNS(=O)(=O)c1ccccc1 ZINC000442764445 389862015 /nfs/dbraw/zinc/86/20/15/389862015.db2.gz TWCHFIBXEZZXNR-QWHCGFSZSA-N 2 2 297.424 0.634 20 0 CCADLP CCCCOC[C@@H](O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000432758230 389887740 /nfs/dbraw/zinc/88/77/40/389887740.db2.gz MRYHWAXLTQJAFL-HNNXBMFYSA-N 2 2 288.432 0.553 20 0 CCADLP CCCCOC[C@@H](O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000432758230 389887741 /nfs/dbraw/zinc/88/77/41/389887741.db2.gz MRYHWAXLTQJAFL-HNNXBMFYSA-N 2 2 288.432 0.553 20 0 CCADLP CC[C@H](C(=O)N1CC[NH+](C[C@@H](C)O)CC1)[NH+](CC)CC ZINC000444383763 389904905 /nfs/dbraw/zinc/90/49/05/389904905.db2.gz PUAFHTIRWQPWAZ-ZIAGYGMSSA-N 2 2 285.432 0.632 20 0 CCADLP CC(C)n1nccc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000575072779 335062183 /nfs/dbraw/zinc/06/21/83/335062183.db2.gz JYXISQNDNJZVOJ-QWHCGFSZSA-N 2 2 277.372 0.208 20 0 CCADLP CC(C)n1nccc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000575072779 335062184 /nfs/dbraw/zinc/06/21/84/335062184.db2.gz JYXISQNDNJZVOJ-QWHCGFSZSA-N 2 2 277.372 0.208 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCCN(CCCO)C2)n1C ZINC000419715334 389907466 /nfs/dbraw/zinc/90/74/66/389907466.db2.gz VEMHACAYXMTBMV-ZDUSSCGKSA-N 2 2 295.431 0.423 20 0 CCADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCCCn1cc[nH+]c1 ZINC000419726424 389909222 /nfs/dbraw/zinc/90/92/22/389909222.db2.gz UOELYGQBPJBJSW-GFCCVEGCSA-N 2 2 295.387 0.023 20 0 CCADLP CN(CC1CC1)C(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435623539 389959081 /nfs/dbraw/zinc/95/90/81/389959081.db2.gz HHHBWZDWWDVOQV-ZDUSSCGKSA-N 2 2 253.390 0.929 20 0 CCADLP CN(CC1CC1)C(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435623539 389959084 /nfs/dbraw/zinc/95/90/84/389959084.db2.gz HHHBWZDWWDVOQV-ZDUSSCGKSA-N 2 2 253.390 0.929 20 0 CCADLP CC[N@H+](CC(=O)Nc1ccncc1)[C@@H]1CCC[NH2+]CC1 ZINC000435618531 389959330 /nfs/dbraw/zinc/95/93/30/389959330.db2.gz ZDRLUHWJFZACNN-CQSZACIVSA-N 2 2 276.384 0.906 20 0 CCADLP CC[N@@H+](CC(=O)Nc1ccncc1)[C@@H]1CCC[NH2+]CC1 ZINC000435618531 389959333 /nfs/dbraw/zinc/95/93/33/389959333.db2.gz ZDRLUHWJFZACNN-CQSZACIVSA-N 2 2 276.384 0.906 20 0 CCADLP CC[N@H+](CCCS(C)(=O)=O)[C@H]1CCC[NH2+]CC1 ZINC000435613783 389959398 /nfs/dbraw/zinc/95/93/98/389959398.db2.gz LBIBHBXVCMYCFP-LBPRGKRZSA-N 2 2 262.419 0.885 20 0 CCADLP CC[N@@H+](CCCS(C)(=O)=O)[C@H]1CCC[NH2+]CC1 ZINC000435613783 389959399 /nfs/dbraw/zinc/95/93/99/389959399.db2.gz LBIBHBXVCMYCFP-LBPRGKRZSA-N 2 2 262.419 0.885 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[NH2+][C@@H](C)C2)nc[nH+]1 ZINC000420187437 389963946 /nfs/dbraw/zinc/96/39/46/389963946.db2.gz DJZILAOHWIIOKI-UWVGGRQHSA-N 2 2 251.334 0.067 20 0 CCADLP C[C@@H](O)CNc1cc(NCC[C@@H]2CCC[NH2+]C2)[nH+]cn1 ZINC000420190712 389964464 /nfs/dbraw/zinc/96/44/64/389964464.db2.gz HFMILFIIEUBUTC-NEPJUHHUSA-N 2 2 279.388 0.493 20 0 CCADLP C[C@@H](O)CNc1cc(NCC[C@@H]2CCC[NH2+]C2)nc[nH+]1 ZINC000420190712 389964465 /nfs/dbraw/zinc/96/44/65/389964465.db2.gz HFMILFIIEUBUTC-NEPJUHHUSA-N 2 2 279.388 0.493 20 0 CCADLP Cc1nc(N2CC[C@H](C)C[C@H]2C[NH3+])nc(N(C)C)[nH+]1 ZINC000420266099 389975566 /nfs/dbraw/zinc/97/55/66/389975566.db2.gz WQXUFGUNKHCDTF-ONGXEEELSA-N 2 2 264.377 0.810 20 0 CCADLP CC(C)c1nc(N2CCO[C@@H](C[NH3+])C2)nc(N(C)C)[nH+]1 ZINC000420235399 389969839 /nfs/dbraw/zinc/96/98/39/389969839.db2.gz HUDGQKCPBAHMGD-JTQLQIEISA-N 2 2 280.376 0.225 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000433916725 389920865 /nfs/dbraw/zinc/92/08/65/389920865.db2.gz ALRHSRGZLXFZKJ-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCC1([NH+](C)C)CCC1 ZINC000445982806 389927793 /nfs/dbraw/zinc/92/77/93/389927793.db2.gz OSEQSEGGCJTIBO-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCC1([NH+](C)C)CCC1 ZINC000445982806 389927795 /nfs/dbraw/zinc/92/77/95/389927795.db2.gz OSEQSEGGCJTIBO-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[NH+]1CCOCC1 ZINC000446367862 389934707 /nfs/dbraw/zinc/93/47/07/389934707.db2.gz AFQOFBOOCVJMRW-UPJWGTAASA-N 2 2 267.373 0.060 20 0 CCADLP O=S1(=O)CC[C@H](C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000434543376 389937445 /nfs/dbraw/zinc/93/74/45/389937445.db2.gz GRNKNYYUKZBQNW-UONOGXRCSA-N 2 2 286.441 0.839 20 0 CCADLP O=S1(=O)CC[C@H](C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000434543376 389937449 /nfs/dbraw/zinc/93/74/49/389937449.db2.gz GRNKNYYUKZBQNW-UONOGXRCSA-N 2 2 286.441 0.839 20 0 CCADLP O=C(CC[N@H+](C1CC1)[C@@H]1CC[NH2+]C1)N1CCOCC1 ZINC000435226735 389953301 /nfs/dbraw/zinc/95/33/01/389953301.db2.gz AYKUFMXWUPRJEG-CYBMUJFWSA-N 2 2 267.373 0.062 20 0 CCADLP O=C(CC[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1)N1CCOCC1 ZINC000435226735 389953303 /nfs/dbraw/zinc/95/33/03/389953303.db2.gz AYKUFMXWUPRJEG-CYBMUJFWSA-N 2 2 267.373 0.062 20 0 CCADLP O[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H]1O ZINC000420924454 390038087 /nfs/dbraw/zinc/03/80/87/390038087.db2.gz STHJNJJXJLQJQE-IYBDPMFKSA-N 2 2 292.379 0.056 20 0 CCADLP O[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H]1O ZINC000420924454 390038090 /nfs/dbraw/zinc/03/80/90/390038090.db2.gz STHJNJJXJLQJQE-IYBDPMFKSA-N 2 2 292.379 0.056 20 0 CCADLP CO[C@@H]1CC[N@H+](CCC(=O)OC(C)C)[C@H](C[NH3+])C1 ZINC000420315719 389983003 /nfs/dbraw/zinc/98/30/03/389983003.db2.gz XHJOEUKLVKAXNT-NWDGAFQWSA-N 2 2 258.362 0.766 20 0 CCADLP CO[C@@H]1CC[N@@H+](CCC(=O)OC(C)C)[C@H](C[NH3+])C1 ZINC000420315719 389983005 /nfs/dbraw/zinc/98/30/05/389983005.db2.gz XHJOEUKLVKAXNT-NWDGAFQWSA-N 2 2 258.362 0.766 20 0 CCADLP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420349498 389988046 /nfs/dbraw/zinc/98/80/46/389988046.db2.gz DAQSZPNQVBOWDN-HIFRSBDPSA-N 2 2 293.411 0.593 20 0 CCADLP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420349498 389988048 /nfs/dbraw/zinc/98/80/48/389988048.db2.gz DAQSZPNQVBOWDN-HIFRSBDPSA-N 2 2 293.411 0.593 20 0 CCADLP CCCNC(=O)NC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420355099 389990109 /nfs/dbraw/zinc/99/01/09/389990109.db2.gz BQSWLIWUMSMPMK-CKYFFXLPSA-N 2 2 270.377 0.198 20 0 CCADLP CC(C)CN(C(=O)C[N@H+](C)C[C@@H](O)C[NH3+])C(C)C ZINC000420362919 389991750 /nfs/dbraw/zinc/99/17/50/389991750.db2.gz ZUZHZQGVNIADIP-LBPRGKRZSA-N 2 2 259.394 0.131 20 0 CCADLP CC(C)CN(C(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])C(C)C ZINC000420362919 389991751 /nfs/dbraw/zinc/99/17/51/389991751.db2.gz ZUZHZQGVNIADIP-LBPRGKRZSA-N 2 2 259.394 0.131 20 0 CCADLP Cc1ccc([C@H](C)NC(=O)C[N@H+](C)C[C@H](O)C[NH3+])cc1C ZINC000420361993 389992073 /nfs/dbraw/zinc/99/20/73/389992073.db2.gz YTLJGYDGTGDJAT-DZGCQCFKSA-N 2 2 293.411 0.732 20 0 CCADLP Cc1ccc([C@H](C)NC(=O)C[N@@H+](C)C[C@H](O)C[NH3+])cc1C ZINC000420361993 389992074 /nfs/dbraw/zinc/99/20/74/389992074.db2.gz YTLJGYDGTGDJAT-DZGCQCFKSA-N 2 2 293.411 0.732 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH3+])[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000420362942 389992646 /nfs/dbraw/zinc/99/26/46/389992646.db2.gz ZVPVBMIWHDCOMM-SMDDNHRTSA-N 2 2 295.358 0.573 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH3+])[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000420362942 389992648 /nfs/dbraw/zinc/99/26/48/389992648.db2.gz ZVPVBMIWHDCOMM-SMDDNHRTSA-N 2 2 295.358 0.573 20 0 CCADLP Cc1cc(NC(=O)C[NH2+][C@H](C[NH3+])C2CCCCC2)no1 ZINC000420364564 389992961 /nfs/dbraw/zinc/99/29/61/389992961.db2.gz RFDAVAJHGCSVPM-GFCCVEGCSA-N 2 2 280.372 0.841 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420376862 389994398 /nfs/dbraw/zinc/99/43/98/389994398.db2.gz ARMFCUJHRYCUFK-RYUDHWBXSA-N 2 2 282.388 0.296 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420376862 389994399 /nfs/dbraw/zinc/99/43/99/389994399.db2.gz ARMFCUJHRYCUFK-RYUDHWBXSA-N 2 2 282.388 0.296 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420376858 389994423 /nfs/dbraw/zinc/99/44/23/389994423.db2.gz ARMFCUJHRYCUFK-NEPJUHHUSA-N 2 2 282.388 0.296 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420376858 389994424 /nfs/dbraw/zinc/99/44/24/389994424.db2.gz ARMFCUJHRYCUFK-NEPJUHHUSA-N 2 2 282.388 0.296 20 0 CCADLP CO[C@@H]1C[C@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C12CCC2 ZINC000451839288 390004836 /nfs/dbraw/zinc/00/48/36/390004836.db2.gz RJJADMZYRMCVES-UONOGXRCSA-N 2 2 295.427 0.650 20 0 CCADLP CO[C@@H]1C[C@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C12CCC2 ZINC000451839288 390004839 /nfs/dbraw/zinc/00/48/39/390004839.db2.gz RJJADMZYRMCVES-UONOGXRCSA-N 2 2 295.427 0.650 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000457000473 390023848 /nfs/dbraw/zinc/02/38/48/390023848.db2.gz UTROCTKUDBSGBZ-GJZGRUSLSA-N 2 2 289.379 0.490 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000457000473 390023851 /nfs/dbraw/zinc/02/38/51/390023851.db2.gz UTROCTKUDBSGBZ-GJZGRUSLSA-N 2 2 289.379 0.490 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N(C)C[C@H]1CCC[NH+]1C ZINC000420792653 390032586 /nfs/dbraw/zinc/03/25/86/390032586.db2.gz BAENKCAYGHJHAP-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N(C)C[C@H]1CCC[NH+]1C ZINC000420792653 390032587 /nfs/dbraw/zinc/03/25/87/390032587.db2.gz BAENKCAYGHJHAP-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000420792653 390032588 /nfs/dbraw/zinc/03/25/88/390032588.db2.gz BAENKCAYGHJHAP-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000420792653 390032589 /nfs/dbraw/zinc/03/25/89/390032589.db2.gz BAENKCAYGHJHAP-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP CS[C@@H]1CN(CCc2c[nH+]cn2C)C[C@H]1[NH+](C)C ZINC000459391232 390073827 /nfs/dbraw/zinc/07/38/27/390073827.db2.gz OIYYUUAKSYSLAN-CHWSQXEVSA-N 2 2 268.430 0.940 20 0 CCADLP CS[C@@H]1C[N@H+](CCc2c[nH+]cn2C)C[C@H]1N(C)C ZINC000459391232 390073828 /nfs/dbraw/zinc/07/38/28/390073828.db2.gz OIYYUUAKSYSLAN-CHWSQXEVSA-N 2 2 268.430 0.940 20 0 CCADLP CS[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)C[C@H]1N(C)C ZINC000459391232 390073829 /nfs/dbraw/zinc/07/38/29/390073829.db2.gz OIYYUUAKSYSLAN-CHWSQXEVSA-N 2 2 268.430 0.940 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H]1CCSC1 ZINC000487285678 390085355 /nfs/dbraw/zinc/08/53/55/390085355.db2.gz CBEVEIIEHYVBGL-NWDGAFQWSA-N 2 2 271.430 0.669 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C[C@@H]1CCSC1 ZINC000487285678 390085356 /nfs/dbraw/zinc/08/53/56/390085356.db2.gz CBEVEIIEHYVBGL-NWDGAFQWSA-N 2 2 271.430 0.669 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC000487476824 390087355 /nfs/dbraw/zinc/08/73/55/390087355.db2.gz QFCFCJZXKQFNSD-AWEZNQCLSA-N 2 2 297.443 0.897 20 0 CCADLP CCNC(=O)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000488848395 390096524 /nfs/dbraw/zinc/09/65/24/390096524.db2.gz CSAZICKPUFBVMV-UHFFFAOYSA-N 2 2 296.459 0.613 20 0 CCADLP Cc1nc(NC[C@]2([NH+](C)C)CCSC2)nc(N(C)C)[nH+]1 ZINC000490131832 390104763 /nfs/dbraw/zinc/10/47/63/390104763.db2.gz CQWLMQWGPUVIMI-CYBMUJFWSA-N 2 2 296.444 0.517 20 0 CCADLP CC[C@@H](O)C[NH+]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493196858 390120594 /nfs/dbraw/zinc/12/05/94/390120594.db2.gz KRJYAVKUQCARTR-AAOUONPWSA-N 2 2 278.356 0.338 20 0 CCADLP C[NH+](C)CC(C)(C)NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000458787309 390063469 /nfs/dbraw/zinc/06/34/69/390063469.db2.gz CAKAUBGMKMBBHT-CYBMUJFWSA-N 2 2 298.431 0.489 20 0 CCADLP C[NH+](C)CC(C)(C)NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000458787309 390063470 /nfs/dbraw/zinc/06/34/70/390063470.db2.gz CAKAUBGMKMBBHT-CYBMUJFWSA-N 2 2 298.431 0.489 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493433152 390125548 /nfs/dbraw/zinc/12/55/48/390125548.db2.gz LZKSGEBUJOASFM-SZZPACECSA-N 2 2 280.372 0.632 20 0 CCADLP O=C(NC[C@@H]1CCC[NH2+]1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000578986732 390131362 /nfs/dbraw/zinc/13/13/62/390131362.db2.gz UVUUGJQITALHKP-JTQLQIEISA-N 2 2 272.312 0.144 20 0 CCADLP C[C@@H](C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)[C@H](C)[NH3+] ZINC000493993324 390139330 /nfs/dbraw/zinc/13/93/30/390139330.db2.gz TUOLNLHJASMALG-MNOVXSKESA-N 2 2 265.361 0.037 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535314055 390142779 /nfs/dbraw/zinc/14/27/79/390142779.db2.gz PUNBQBYCSPEWDC-QWRGUYRKSA-N 2 2 262.357 0.877 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535314055 390142782 /nfs/dbraw/zinc/14/27/82/390142782.db2.gz PUNBQBYCSPEWDC-QWRGUYRKSA-N 2 2 262.357 0.877 20 0 CCADLP CCCCCNC(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000579593320 390189107 /nfs/dbraw/zinc/18/91/07/390189107.db2.gz CCAAHUHDUMYNMF-CQSZACIVSA-N 2 2 282.432 0.272 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2nccc(N)n2)C1 ZINC000536996331 390173034 /nfs/dbraw/zinc/17/30/34/390173034.db2.gz VNNHUMIRAFQONF-SNVBAGLBSA-N 2 2 258.329 0.612 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2nccc(N)n2)C1 ZINC000536996331 390173036 /nfs/dbraw/zinc/17/30/36/390173036.db2.gz VNNHUMIRAFQONF-SNVBAGLBSA-N 2 2 258.329 0.612 20 0 CCADLP COCCC[N@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCS(=O)(=O)C1 ZINC000647873521 390202454 /nfs/dbraw/zinc/20/24/54/390202454.db2.gz VPOJKEYZNNZCNB-QWHCGFSZSA-N 2 2 290.429 0.122 20 0 CCADLP COCCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCS(=O)(=O)C1 ZINC000647873521 390202455 /nfs/dbraw/zinc/20/24/55/390202455.db2.gz VPOJKEYZNNZCNB-QWHCGFSZSA-N 2 2 290.429 0.122 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC000647906738 390213357 /nfs/dbraw/zinc/21/33/57/390213357.db2.gz WSMFOLQZOFNTRU-LPEHRKFASA-N 2 2 279.392 0.080 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC000647906738 390213359 /nfs/dbraw/zinc/21/33/59/390213359.db2.gz WSMFOLQZOFNTRU-LPEHRKFASA-N 2 2 279.392 0.080 20 0 CCADLP C[C@@H](C[NH2+]Cc1cccc2[nH+]ccn21)S(C)(=O)=O ZINC000539858960 390213729 /nfs/dbraw/zinc/21/37/29/390213729.db2.gz NDSRFHDAWPSTSE-JTQLQIEISA-N 2 2 267.354 0.857 20 0 CCADLP CC[C@@H]1C[N@H+](Cc2cc(=O)n3[nH]ccc3n2)CC[C@@H]1[NH3+] ZINC000647936562 390222893 /nfs/dbraw/zinc/22/28/93/390222893.db2.gz HDUPKIUDGMFCCS-PWSUYJOCSA-N 2 2 275.356 0.582 20 0 CCADLP CC[C@@H]1C[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)CC[C@@H]1[NH3+] ZINC000647936562 390222895 /nfs/dbraw/zinc/22/28/95/390222895.db2.gz HDUPKIUDGMFCCS-PWSUYJOCSA-N 2 2 275.356 0.582 20 0 CCADLP CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+](C)CCC[NH3+])c1 ZINC000647849012 390191640 /nfs/dbraw/zinc/19/16/40/390191640.db2.gz DPIWNXYHUTVRFU-LLVKDONJSA-N 2 2 292.383 0.654 20 0 CCADLP CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+](C)CCC[NH3+])c1 ZINC000647849012 390191644 /nfs/dbraw/zinc/19/16/44/390191644.db2.gz DPIWNXYHUTVRFU-LLVKDONJSA-N 2 2 292.383 0.654 20 0 CCADLP CC[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C1CCOCC1 ZINC000579691228 390197554 /nfs/dbraw/zinc/19/75/54/390197554.db2.gz JWCDHEBGDQJHKY-ZIAGYGMSSA-N 2 2 298.431 0.476 20 0 CCADLP CC[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C1CCOCC1 ZINC000579691228 390197557 /nfs/dbraw/zinc/19/75/57/390197557.db2.gz JWCDHEBGDQJHKY-ZIAGYGMSSA-N 2 2 298.431 0.476 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCN(C(=O)C2CC2)CC1 ZINC000647972368 390236375 /nfs/dbraw/zinc/23/63/75/390236375.db2.gz ZRMHRIGFMHFAGO-OAHLLOKOSA-N 2 2 297.443 0.632 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCN(C(=O)C2CC2)CC1 ZINC000647972368 390236377 /nfs/dbraw/zinc/23/63/77/390236377.db2.gz ZRMHRIGFMHFAGO-OAHLLOKOSA-N 2 2 297.443 0.632 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000647972368 390236380 /nfs/dbraw/zinc/23/63/80/390236380.db2.gz ZRMHRIGFMHFAGO-OAHLLOKOSA-N 2 2 297.443 0.632 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000647972368 390236383 /nfs/dbraw/zinc/23/63/83/390236383.db2.gz ZRMHRIGFMHFAGO-OAHLLOKOSA-N 2 2 297.443 0.632 20 0 CCADLP CCOCC[C@H](O)C[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000644556961 390252114 /nfs/dbraw/zinc/25/21/14/390252114.db2.gz VUIIYCXJIZRXLB-KBPBESRZSA-N 2 2 256.390 0.848 20 0 CCADLP CCOCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000644556961 390252118 /nfs/dbraw/zinc/25/21/18/390252118.db2.gz VUIIYCXJIZRXLB-KBPBESRZSA-N 2 2 256.390 0.848 20 0 CCADLP Cc1nc(N[C@@H](C)C2=CC[N@@H+](C)CC2)nc(N(C)C)[nH+]1 ZINC000541893988 390252119 /nfs/dbraw/zinc/25/21/19/390252119.db2.gz XDZZBGKQHTWVAM-JTQLQIEISA-N 2 2 276.388 0.730 20 0 CCADLP Cc1nc(N(C)C)nc(N[C@@H](C)C2=CC[N@H+](C)CC2)[nH+]1 ZINC000541893988 390252121 /nfs/dbraw/zinc/25/21/21/390252121.db2.gz XDZZBGKQHTWVAM-JTQLQIEISA-N 2 2 276.388 0.730 20 0 CCADLP Cc1nc(N(C)C)nc(N[C@@H](C)C2=CC[N@@H+](C)CC2)[nH+]1 ZINC000541893988 390252123 /nfs/dbraw/zinc/25/21/23/390252123.db2.gz XDZZBGKQHTWVAM-JTQLQIEISA-N 2 2 276.388 0.730 20 0 CCADLP Cn1cc([C@H]2OCCC[C@@H]2[NH2+][C@@H]2CCC[NH2+]C2)cn1 ZINC000582062622 390257104 /nfs/dbraw/zinc/25/71/04/390257104.db2.gz RVVGLOMKOXHALU-HZSPNIEDSA-N 2 2 264.373 0.982 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3cccc(F)c3F)CCN2C1=O ZINC000582073768 390259122 /nfs/dbraw/zinc/25/91/22/390259122.db2.gz PDJURTPLAWNNBS-CMPLNLGQSA-N 2 2 281.306 0.709 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3cccc(F)c3F)CCN2C1=O ZINC000582073768 390259126 /nfs/dbraw/zinc/25/91/26/390259126.db2.gz PDJURTPLAWNNBS-CMPLNLGQSA-N 2 2 281.306 0.709 20 0 CCADLP C[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000644645956 390275894 /nfs/dbraw/zinc/27/58/94/390275894.db2.gz QQCWJNKINSASDI-ODWCKFRGSA-N 2 2 269.389 0.040 20 0 CCADLP C[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000644645956 390275896 /nfs/dbraw/zinc/27/58/96/390275896.db2.gz QQCWJNKINSASDI-ODWCKFRGSA-N 2 2 269.389 0.040 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000542939167 390277229 /nfs/dbraw/zinc/27/72/29/390277229.db2.gz PEHLBOWHVSRQKX-CYBMUJFWSA-N 2 2 264.373 0.542 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000542939167 390277231 /nfs/dbraw/zinc/27/72/31/390277231.db2.gz PEHLBOWHVSRQKX-CYBMUJFWSA-N 2 2 264.373 0.542 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@@H](CO)Cc1cccnc1)C1CC1 ZINC000583322567 390282839 /nfs/dbraw/zinc/28/28/39/390282839.db2.gz ORFURIFQTVWPKN-UKRRQHHQSA-N 2 2 279.384 0.030 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H](CO)Cc1cccnc1)C1CC1 ZINC000583322567 390282841 /nfs/dbraw/zinc/28/28/41/390282841.db2.gz ORFURIFQTVWPKN-UKRRQHHQSA-N 2 2 279.384 0.030 20 0 CCADLP CC(C)O[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000583497237 390287708 /nfs/dbraw/zinc/28/77/08/390287708.db2.gz AELODRKQKKURPL-UONOGXRCSA-N 2 2 256.390 0.941 20 0 CCADLP CC(C)O[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000583497237 390287710 /nfs/dbraw/zinc/28/77/10/390287710.db2.gz AELODRKQKKURPL-UONOGXRCSA-N 2 2 256.390 0.941 20 0 CCADLP CC(C)O[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000583497237 390287714 /nfs/dbraw/zinc/28/77/14/390287714.db2.gz AELODRKQKKURPL-UONOGXRCSA-N 2 2 256.390 0.941 20 0 CCADLP CC(C)O[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000583497237 390287716 /nfs/dbraw/zinc/28/77/16/390287716.db2.gz AELODRKQKKURPL-UONOGXRCSA-N 2 2 256.390 0.941 20 0 CCADLP CC1=CC[N@H+](CCNC(=O)NCCn2cc[nH+]c2)CC1 ZINC000547274097 390365422 /nfs/dbraw/zinc/36/54/22/390365422.db2.gz WYTGEFNRZILYDE-UHFFFAOYSA-N 2 2 277.372 0.834 20 0 CCADLP CC1=CC[N@@H+](CCNC(=O)NCCn2cc[nH+]c2)CC1 ZINC000547274097 390365427 /nfs/dbraw/zinc/36/54/27/390365427.db2.gz WYTGEFNRZILYDE-UHFFFAOYSA-N 2 2 277.372 0.834 20 0 CCADLP CC1CCC(O)(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000583748209 390307422 /nfs/dbraw/zinc/30/74/22/390307422.db2.gz USENAZWWUQKVOV-SLTAFYQDSA-N 2 2 269.433 0.763 20 0 CCADLP CC1CCC(O)(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000583748209 390307427 /nfs/dbraw/zinc/30/74/27/390307427.db2.gz USENAZWWUQKVOV-SLTAFYQDSA-N 2 2 269.433 0.763 20 0 CCADLP CN(C)C(=O)CCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000583789007 390310803 /nfs/dbraw/zinc/31/08/03/390310803.db2.gz ZZNKULBOJMCADR-AWEZNQCLSA-N 2 2 283.416 0.509 20 0 CCADLP CN(C)C(=O)CCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000583789007 390310806 /nfs/dbraw/zinc/31/08/06/390310806.db2.gz ZZNKULBOJMCADR-AWEZNQCLSA-N 2 2 283.416 0.509 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000583820249 390315079 /nfs/dbraw/zinc/31/50/79/390315079.db2.gz UMHWTSXEWHWNNB-KWCYVHTRSA-N 2 2 256.390 0.798 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000583820249 390315082 /nfs/dbraw/zinc/31/50/82/390315082.db2.gz UMHWTSXEWHWNNB-KWCYVHTRSA-N 2 2 256.390 0.798 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000583820249 390315085 /nfs/dbraw/zinc/31/50/85/390315085.db2.gz UMHWTSXEWHWNNB-KWCYVHTRSA-N 2 2 256.390 0.798 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000583820249 390315088 /nfs/dbraw/zinc/31/50/88/390315088.db2.gz UMHWTSXEWHWNNB-KWCYVHTRSA-N 2 2 256.390 0.798 20 0 CCADLP C[NH2+]CC(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000583870854 390319834 /nfs/dbraw/zinc/31/98/34/390319834.db2.gz VXTRZUHFCLYWEK-STQMWFEESA-N 2 2 297.378 0.010 20 0 CCADLP C[NH2+]CC(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000583870854 390319838 /nfs/dbraw/zinc/31/98/38/390319838.db2.gz VXTRZUHFCLYWEK-STQMWFEESA-N 2 2 297.378 0.010 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]C[C@@H](O)CC(F)(F)F ZINC000583934883 390325495 /nfs/dbraw/zinc/32/54/95/390325495.db2.gz ZHRBTQONSXQQJZ-VIFPVBQESA-N 2 2 258.284 0.204 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]C[C@@H](O)CC(F)(F)F ZINC000583934883 390325499 /nfs/dbraw/zinc/32/54/99/390325499.db2.gz ZHRBTQONSXQQJZ-VIFPVBQESA-N 2 2 258.284 0.204 20 0 CCADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CS(=O)(=O)CCO1 ZINC000545353264 390326755 /nfs/dbraw/zinc/32/67/55/390326755.db2.gz SMEYDORFGSBMND-LBPRGKRZSA-N 2 2 299.396 0.051 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCC[NH+](C)C ZINC000583943367 390326896 /nfs/dbraw/zinc/32/68/96/390326896.db2.gz HXSMWVCHFWYMKU-NSHDSACASA-N 2 2 252.362 0.998 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCC[NH+](C)C ZINC000583943367 390326897 /nfs/dbraw/zinc/32/68/97/390326897.db2.gz HXSMWVCHFWYMKU-NSHDSACASA-N 2 2 252.362 0.998 20 0 CCADLP C[NH+]1CCCC[C@H]1CCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000584409866 390341734 /nfs/dbraw/zinc/34/17/34/390341734.db2.gz XXKVHCBXACJCHG-KBPBESRZSA-N 3 2 282.432 0.352 20 0 CCADLP C[NH+]1CCCC[C@H]1CCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000584409866 390341735 /nfs/dbraw/zinc/34/17/35/390341735.db2.gz XXKVHCBXACJCHG-KBPBESRZSA-N 3 2 282.432 0.352 20 0 CCADLP C[NH+]1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)[C@@H](C[NH3+])C1 ZINC000584409866 390341737 /nfs/dbraw/zinc/34/17/37/390341737.db2.gz XXKVHCBXACJCHG-KBPBESRZSA-N 3 2 282.432 0.352 20 0 CCADLP C[NH+]1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)[C@@H](C[NH3+])C1 ZINC000584409866 390341739 /nfs/dbraw/zinc/34/17/39/390341739.db2.gz XXKVHCBXACJCHG-KBPBESRZSA-N 3 2 282.432 0.352 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H]2CCCNC2=O)n1C ZINC000644904176 390343629 /nfs/dbraw/zinc/34/36/29/390343629.db2.gz KNPCOXLTCYZDJD-SNVBAGLBSA-N 2 2 265.361 0.102 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3CC(C)(O)C3)C2)CC1 ZINC000648316285 390356098 /nfs/dbraw/zinc/35/60/98/390356098.db2.gz YIELSCXRGBZSBN-MFOWVQHXSA-N 2 2 295.427 0.432 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3CC(C)(O)C3)C2)CC1 ZINC000648316285 390356099 /nfs/dbraw/zinc/35/60/99/390356099.db2.gz YIELSCXRGBZSBN-MFOWVQHXSA-N 2 2 295.427 0.432 20 0 CCADLP CCc1nc(N2CN(CC[NH+](C)C)C(=O)[C@H]2C)cc(C)[nH+]1 ZINC000645358016 390414057 /nfs/dbraw/zinc/41/40/57/390414057.db2.gz ASZKXHMEHCNTGA-GFCCVEGCSA-N 2 2 291.399 0.904 20 0 CCADLP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000422859254 285373940 /nfs/dbraw/zinc/37/39/40/285373940.db2.gz HFVPNJDCFKXTOP-FRRDWIJNSA-N 3 2 255.406 0.955 20 0 CCADLP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000422859254 285373941 /nfs/dbraw/zinc/37/39/41/285373941.db2.gz HFVPNJDCFKXTOP-FRRDWIJNSA-N 3 2 255.406 0.955 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)C1 ZINC000554579892 390434627 /nfs/dbraw/zinc/43/46/27/390434627.db2.gz QHLSAEZIRHSNDB-KBPBESRZSA-N 2 2 274.368 0.506 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)C1 ZINC000554579892 390434632 /nfs/dbraw/zinc/43/46/32/390434632.db2.gz QHLSAEZIRHSNDB-KBPBESRZSA-N 2 2 274.368 0.506 20 0 CCADLP CCN1CC[NH+](CCCNC(=O)c2ccc(C[NH3+])o2)CC1 ZINC000645485349 390435414 /nfs/dbraw/zinc/43/54/14/390435414.db2.gz KQWSWJMPJPVEEP-UHFFFAOYSA-N 2 2 294.399 0.496 20 0 CCADLP O[C@@H]1COC[C@H]1[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000643377743 390437062 /nfs/dbraw/zinc/43/70/62/390437062.db2.gz YVNKYNLPEPOFPR-KCPJHIHWSA-N 2 2 277.368 0.768 20 0 CCADLP O[C@@H]1COC[C@H]1[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000643377743 390437064 /nfs/dbraw/zinc/43/70/64/390437064.db2.gz YVNKYNLPEPOFPR-KCPJHIHWSA-N 2 2 277.368 0.768 20 0 CCADLP COc1cc(F)cc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)c1 ZINC000648437347 390373199 /nfs/dbraw/zinc/37/31/99/390373199.db2.gz WXVASRNCMFHPTL-UHFFFAOYSA-N 2 2 295.358 0.698 20 0 CCADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1c[nH+]c(C)nc1N ZINC000648902133 390440147 /nfs/dbraw/zinc/44/01/47/390440147.db2.gz YBRKYYHOPJDHJA-VIFPVBQESA-N 2 2 279.388 0.980 20 0 CCADLP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000517231045 390489111 /nfs/dbraw/zinc/48/91/11/390489111.db2.gz OKWDJBXHFNSORV-GXTWGEPZSA-N 2 2 278.400 0.842 20 0 CCADLP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000517231045 390489112 /nfs/dbraw/zinc/48/91/12/390489112.db2.gz OKWDJBXHFNSORV-GXTWGEPZSA-N 2 2 278.400 0.842 20 0 CCADLP [NH3+]CCC[NH+]1CCN(Cc2nccn2C(F)F)CC1 ZINC000519407751 390500206 /nfs/dbraw/zinc/50/02/06/390500206.db2.gz YEHBFAVKFWHQPF-UHFFFAOYSA-N 2 2 273.331 0.745 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CC(C)(C)[NH3+])CC2)CC1 ZINC000645812163 390501419 /nfs/dbraw/zinc/50/14/19/390501419.db2.gz QSGHHWBYUMGXJY-UHFFFAOYSA-N 3 2 296.459 0.789 20 0 CCADLP C[C@H](N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000643452313 390448015 /nfs/dbraw/zinc/44/80/15/390448015.db2.gz FMIHMPGWWGHREN-LZWOXQAQSA-N 3 2 280.460 0.885 20 0 CCADLP C[C@H](N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000643452313 390448018 /nfs/dbraw/zinc/44/80/18/390448018.db2.gz FMIHMPGWWGHREN-LZWOXQAQSA-N 3 2 280.460 0.885 20 0 CCADLP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000643452313 390448019 /nfs/dbraw/zinc/44/80/19/390448019.db2.gz FMIHMPGWWGHREN-LZWOXQAQSA-N 3 2 280.460 0.885 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC(=O)NC1CCCC1 ZINC000643469748 390450632 /nfs/dbraw/zinc/45/06/32/390450632.db2.gz JNHZDJZKLHYSPI-DGCLKSJQSA-N 2 2 269.389 0.402 20 0 CCADLP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1cccc(S(=O)(=O)N(C)C)c1 ZINC000643529272 390460268 /nfs/dbraw/zinc/46/02/68/390460268.db2.gz XYTQXOYYPPQEOQ-WDEREUQCSA-N 2 2 285.413 0.935 20 0 CCADLP CC[NH+]1CCC(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1 ZINC000516633988 390483731 /nfs/dbraw/zinc/48/37/31/390483731.db2.gz PQHQEEILSONQCK-CQSZACIVSA-N 3 2 297.447 0.003 20 0 CCADLP CC[NH+]1CCC(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1 ZINC000516633988 390483734 /nfs/dbraw/zinc/48/37/34/390483734.db2.gz PQHQEEILSONQCK-CQSZACIVSA-N 3 2 297.447 0.003 20 0 CCADLP CC[C@H](O)C[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000516661740 390484332 /nfs/dbraw/zinc/48/43/32/390484332.db2.gz RQVLBMPTZOEOKG-OCCSQVGLSA-N 2 2 256.390 0.942 20 0 CCADLP CC[C@H](O)C[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000516661740 390484334 /nfs/dbraw/zinc/48/43/34/390484334.db2.gz RQVLBMPTZOEOKG-OCCSQVGLSA-N 2 2 256.390 0.942 20 0 CCADLP COC[C@@H](C)OC[C@H](O)C[NH2+]CCc1cc[nH+]cc1C ZINC000566112280 390579788 /nfs/dbraw/zinc/57/97/88/390579788.db2.gz UIJCTDQVDJUJHZ-UKRRQHHQSA-N 2 2 282.384 0.935 20 0 CCADLP CC[NH+](CC)CCC[N@@H+]1CC[C@H](n2cc(C(N)=O)nn2)C1 ZINC000643861653 390586080 /nfs/dbraw/zinc/58/60/80/390586080.db2.gz BZOFRQSFSFLSMN-LBPRGKRZSA-N 2 2 294.403 0.356 20 0 CCADLP CC[NH+](CC)CCC[N@H+]1CC[C@H](n2cc(C(N)=O)nn2)C1 ZINC000643861653 390586082 /nfs/dbraw/zinc/58/60/82/390586082.db2.gz BZOFRQSFSFLSMN-LBPRGKRZSA-N 2 2 294.403 0.356 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000565491618 390519324 /nfs/dbraw/zinc/51/93/24/390519324.db2.gz HAVHMSGSPQTJNG-UHFFFAOYSA-N 2 2 250.346 0.515 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000565491618 390519329 /nfs/dbraw/zinc/51/93/29/390519329.db2.gz HAVHMSGSPQTJNG-UHFFFAOYSA-N 2 2 250.346 0.515 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)c1ccc(C[NH3+])o1 ZINC000645886936 390520966 /nfs/dbraw/zinc/52/09/66/390520966.db2.gz KBRLMCQBTFFCNM-UHFFFAOYSA-N 2 2 267.329 0.143 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC[N@H+]1C ZINC000649215665 390524944 /nfs/dbraw/zinc/52/49/44/390524944.db2.gz WENAIBSOPAPVLP-AGIUHOORSA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC[N@@H+]1C ZINC000649215665 390524948 /nfs/dbraw/zinc/52/49/48/390524948.db2.gz WENAIBSOPAPVLP-AGIUHOORSA-N 2 2 276.384 0.997 20 0 CCADLP CC[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)CC)C[C@]2(CCOC2)O1 ZINC000519711701 390532997 /nfs/dbraw/zinc/53/29/97/390532997.db2.gz ZPNBYSYHQHDGTF-KFWWJZLASA-N 2 2 286.416 0.569 20 0 CCADLP CC[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)CC)C[C@]2(CCOC2)O1 ZINC000519711701 390533001 /nfs/dbraw/zinc/53/30/01/390533001.db2.gz ZPNBYSYHQHDGTF-KFWWJZLASA-N 2 2 286.416 0.569 20 0 CCADLP CC[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)CC)C[C@]2(CCOC2)O1 ZINC000519711701 390533007 /nfs/dbraw/zinc/53/30/07/390533007.db2.gz ZPNBYSYHQHDGTF-KFWWJZLASA-N 2 2 286.416 0.569 20 0 CCADLP CC[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)CC)C[C@]2(CCOC2)O1 ZINC000519711701 390533012 /nfs/dbraw/zinc/53/30/12/390533012.db2.gz ZPNBYSYHQHDGTF-KFWWJZLASA-N 2 2 286.416 0.569 20 0 CCADLP COC[C@@H](C)OC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000565666088 390534343 /nfs/dbraw/zinc/53/43/43/390534343.db2.gz OSMXBXFQCYUKOA-LXTVHRRPSA-N 2 2 286.416 0.567 20 0 CCADLP COC[C@@H](C)OC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000565666088 390534350 /nfs/dbraw/zinc/53/43/50/390534350.db2.gz OSMXBXFQCYUKOA-LXTVHRRPSA-N 2 2 286.416 0.567 20 0 CCADLP COC[C@@H](C)OC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000565666088 390534354 /nfs/dbraw/zinc/53/43/54/390534354.db2.gz OSMXBXFQCYUKOA-LXTVHRRPSA-N 2 2 286.416 0.567 20 0 CCADLP COC[C@@H](C)OC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000565666088 390534361 /nfs/dbraw/zinc/53/43/61/390534361.db2.gz OSMXBXFQCYUKOA-LXTVHRRPSA-N 2 2 286.416 0.567 20 0 CCADLP FC1(F)C[C@H]2C[N@H+](CCn3cc[nH+]c3)CCN2C1 ZINC000645936957 390535270 /nfs/dbraw/zinc/53/52/70/390535270.db2.gz TZSQWVGWKMAFPG-NSHDSACASA-N 2 2 256.300 0.908 20 0 CCADLP FC1(F)C[C@H]2C[N@@H+](CCn3cc[nH+]c3)CCN2C1 ZINC000645936957 390535275 /nfs/dbraw/zinc/53/52/75/390535275.db2.gz TZSQWVGWKMAFPG-NSHDSACASA-N 2 2 256.300 0.908 20 0 CCADLP FC1(F)C[C@H]2C[N@H+](CCC[NH+]3CCOCC3)CCN2C1 ZINC000645936916 390535463 /nfs/dbraw/zinc/53/54/63/390535463.db2.gz ONBHLESKDWRGCY-ZDUSSCGKSA-N 2 2 289.370 0.734 20 0 CCADLP FC1(F)C[C@H]2C[N@@H+](CCC[NH+]3CCOCC3)CCN2C1 ZINC000645936916 390535467 /nfs/dbraw/zinc/53/54/67/390535467.db2.gz ONBHLESKDWRGCY-ZDUSSCGKSA-N 2 2 289.370 0.734 20 0 CCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000645943995 390541888 /nfs/dbraw/zinc/54/18/88/390541888.db2.gz CAVKYMAJFKLUFA-STQMWFEESA-N 2 2 291.399 0.062 20 0 CCADLP Cn1cc(C[NH+]2CCN(C(=O)CC3([NH3+])CCC3)CC2)cn1 ZINC000645944290 390541933 /nfs/dbraw/zinc/54/19/33/390541933.db2.gz BVROLGPEMOGKPS-UHFFFAOYSA-N 2 2 291.399 0.336 20 0 CCADLP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccc2[nH+]ccn2c1 ZINC000645976269 390555611 /nfs/dbraw/zinc/55/56/11/390555611.db2.gz MBBRAIBQAOBVML-NSHDSACASA-N 2 2 287.323 0.141 20 0 CCADLP COC[C@@]1(C(=O)Nc2ccc3[nH+]ccn3c2)CC[NH2+]C1 ZINC000645975666 390555685 /nfs/dbraw/zinc/55/56/85/390555685.db2.gz QWYNWHCEXKDMOI-CQSZACIVSA-N 2 2 274.324 0.899 20 0 CCADLP COc1ccccc1[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000649304757 390563720 /nfs/dbraw/zinc/56/37/20/390563720.db2.gz FUFMTAMMASIVJS-BXUZGUMPSA-N 2 2 277.368 0.905 20 0 CCADLP COc1ccccc1[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000649304757 390563725 /nfs/dbraw/zinc/56/37/25/390563725.db2.gz FUFMTAMMASIVJS-BXUZGUMPSA-N 2 2 277.368 0.905 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)CCC(C)(C)[NH3+])CCO1 ZINC000649312425 390572583 /nfs/dbraw/zinc/57/25/83/390572583.db2.gz PBMYWEPFKOUQAZ-NSHDSACASA-N 2 2 257.378 0.341 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)CCC(C)(C)[NH3+])CCO1 ZINC000649312425 390572586 /nfs/dbraw/zinc/57/25/86/390572586.db2.gz PBMYWEPFKOUQAZ-NSHDSACASA-N 2 2 257.378 0.341 20 0 CCADLP C[C@H](C[NH3+])C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000646033740 390577859 /nfs/dbraw/zinc/57/78/59/390577859.db2.gz QIPPRJQJEDVDKP-LLVKDONJSA-N 2 2 272.352 0.780 20 0 CCADLP CC[C@@H](C(=O)NCc1c[nH+]c(C)nc1N)[NH+](CC)CC ZINC000566641826 390635944 /nfs/dbraw/zinc/63/59/44/390635944.db2.gz YIVMRDPLSBBNDP-LBPRGKRZSA-N 2 2 279.388 0.934 20 0 CCADLP CN(CCC[NH3+])C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000644066657 390643119 /nfs/dbraw/zinc/64/31/19/390643119.db2.gz JLNPLJCHWCVHMX-UHFFFAOYSA-N 2 2 263.332 0.771 20 0 CCADLP CCNC(=O)[C@@H]([NH2+]C[C@H](O)C[N@H+](C)CC)C(C)C ZINC000566804457 390649934 /nfs/dbraw/zinc/64/99/34/390649934.db2.gz DNWASWVSSZCVKD-RYUDHWBXSA-N 2 2 259.394 0.049 20 0 CCADLP CCNC(=O)[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)CC)C(C)C ZINC000566804457 390649938 /nfs/dbraw/zinc/64/99/38/390649938.db2.gz DNWASWVSSZCVKD-RYUDHWBXSA-N 2 2 259.394 0.049 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000646265258 390653725 /nfs/dbraw/zinc/65/37/25/390653725.db2.gz QKAMAACFEDPAGY-NEPJUHHUSA-N 2 2 278.356 0.140 20 0 CCADLP C[C@H]1CC2(C[N@@H+]1CC(=O)N1CC[NH+](C)CC1)CCOCC2 ZINC000646100139 390596957 /nfs/dbraw/zinc/59/69/57/390596957.db2.gz HSIOSRWKFFIILL-AWEZNQCLSA-N 2 2 295.427 0.651 20 0 CCADLP C[C@H]1CC2(C[N@H+]1CC(=O)N1CC[NH+](C)CC1)CCOCC2 ZINC000646100139 390596962 /nfs/dbraw/zinc/59/69/62/390596962.db2.gz HSIOSRWKFFIILL-AWEZNQCLSA-N 2 2 295.427 0.651 20 0 CCADLP CC[C@H](C)NC(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102488 390597589 /nfs/dbraw/zinc/59/75/89/390597589.db2.gz KRFDISNHTJOVBA-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@H](C)NC(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102488 390597594 /nfs/dbraw/zinc/59/75/94/390597594.db2.gz KRFDISNHTJOVBA-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP Cn1nccc1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646105992 390598916 /nfs/dbraw/zinc/59/89/16/390598916.db2.gz OKHJUTDSUVDDBW-UHFFFAOYSA-N 2 2 264.373 0.717 20 0 CCADLP Cn1nccc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646105992 390598918 /nfs/dbraw/zinc/59/89/18/390598918.db2.gz OKHJUTDSUVDDBW-UHFFFAOYSA-N 2 2 264.373 0.717 20 0 CCADLP COCCOC[C@@H](O)C[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000649379854 390611888 /nfs/dbraw/zinc/61/18/88/390611888.db2.gz QWOSLEZZYIGZGR-KBPBESRZSA-N 2 2 274.405 0.473 20 0 CCADLP COCCOC[C@@H](O)C[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000649379854 390611893 /nfs/dbraw/zinc/61/18/93/390611893.db2.gz QWOSLEZZYIGZGR-KBPBESRZSA-N 2 2 274.405 0.473 20 0 CCADLP CN(CCC[NH3+])C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000646782467 390719186 /nfs/dbraw/zinc/71/91/86/390719186.db2.gz YEGTVRGEXWWIAG-UHFFFAOYSA-N 2 2 291.395 0.940 20 0 CCADLP C[N@@H+]1CCc2nc(NC(=O)[C@H]3CC[NH2+]3)sc2C1 ZINC000570923702 390724393 /nfs/dbraw/zinc/72/43/93/390724393.db2.gz JXCLEEZHNKPRKL-MRVPVSSYSA-N 2 2 252.343 0.431 20 0 CCADLP C[N@H+]1CCc2nc(NC(=O)[C@H]3CC[NH2+]3)sc2C1 ZINC000570923702 390724394 /nfs/dbraw/zinc/72/43/94/390724394.db2.gz JXCLEEZHNKPRKL-MRVPVSSYSA-N 2 2 252.343 0.431 20 0 CCADLP Cc1ccccc1OCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000646835604 390726198 /nfs/dbraw/zinc/72/61/98/390726198.db2.gz QDJNQBSKEASVHQ-CYBMUJFWSA-N 2 2 277.368 0.475 20 0 CCADLP Cc1ccccc1OCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000646835604 390726201 /nfs/dbraw/zinc/72/62/01/390726201.db2.gz QDJNQBSKEASVHQ-CYBMUJFWSA-N 2 2 277.368 0.475 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000571236740 390726912 /nfs/dbraw/zinc/72/69/12/390726912.db2.gz LGBXUONNOLRCIH-CHWSQXEVSA-N 2 2 285.457 0.976 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000571236740 390726913 /nfs/dbraw/zinc/72/69/13/390726913.db2.gz LGBXUONNOLRCIH-CHWSQXEVSA-N 2 2 285.457 0.976 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000567011662 390666145 /nfs/dbraw/zinc/66/61/45/390666145.db2.gz OVAYBQBNNYYGTI-CYBMUJFWSA-N 3 2 266.389 0.902 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000567011662 390666147 /nfs/dbraw/zinc/66/61/47/390666147.db2.gz OVAYBQBNNYYGTI-CYBMUJFWSA-N 3 2 266.389 0.902 20 0 CCADLP CC[N@H+](C)C[C@@H](O)CN1CCC(c2[nH]cc[nH+]2)CC1 ZINC000567011662 390666149 /nfs/dbraw/zinc/66/61/49/390666149.db2.gz OVAYBQBNNYYGTI-CYBMUJFWSA-N 2 2 266.389 0.902 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)CN1CCC(c2[nH]cc[nH+]2)CC1 ZINC000567011662 390666153 /nfs/dbraw/zinc/66/61/53/390666153.db2.gz OVAYBQBNNYYGTI-CYBMUJFWSA-N 2 2 266.389 0.902 20 0 CCADLP COC[C@@H](C)C[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000526124393 390679881 /nfs/dbraw/zinc/67/98/81/390679881.db2.gz WDIHCBFROXAQEL-ZDUSSCGKSA-N 2 2 266.389 0.820 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000567245994 390683241 /nfs/dbraw/zinc/68/32/41/390683241.db2.gz CJYYGWUPFZTDGN-CQSZACIVSA-N 2 2 296.415 0.069 20 0 CCADLP [NH3+]Cc1ccc(C(=O)NCC[N@@H+]2CCCOCC2)o1 ZINC000646503717 390689058 /nfs/dbraw/zinc/68/90/58/390689058.db2.gz OCHQOOPJCXHPJB-UHFFFAOYSA-N 2 2 267.329 0.190 20 0 CCADLP [NH3+]Cc1ccc(C(=O)NCC[N@H+]2CCCOCC2)o1 ZINC000646503717 390689059 /nfs/dbraw/zinc/68/90/59/390689059.db2.gz OCHQOOPJCXHPJB-UHFFFAOYSA-N 2 2 267.329 0.190 20 0 CCADLP O=C(N[C@H]1CCC[NH2+]CC1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000646986594 390753191 /nfs/dbraw/zinc/75/31/91/390753191.db2.gz KPOMATYOCNBHCO-ZFWWWQNUSA-N 2 2 295.427 0.888 20 0 CCADLP O=C(N[C@H]1CCC[NH2+]CC1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000646986594 390753193 /nfs/dbraw/zinc/75/31/93/390753193.db2.gz KPOMATYOCNBHCO-ZFWWWQNUSA-N 2 2 295.427 0.888 20 0 CCADLP [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000646997539 390755784 /nfs/dbraw/zinc/75/57/84/390755784.db2.gz XVXHFGTXESNPPP-WDEREUQCSA-N 2 2 286.339 0.662 20 0 CCADLP CNC(=O)NC[C@@H]1C[N@H+](CCCn2cc[nH+]c2C)CCO1 ZINC000528626467 390763952 /nfs/dbraw/zinc/76/39/52/390763952.db2.gz QFECLBOLFLIANP-CYBMUJFWSA-N 2 2 295.387 0.211 20 0 CCADLP CNC(=O)NC[C@@H]1C[N@@H+](CCCn2cc[nH+]c2C)CCO1 ZINC000528626467 390763955 /nfs/dbraw/zinc/76/39/55/390763955.db2.gz QFECLBOLFLIANP-CYBMUJFWSA-N 2 2 295.387 0.211 20 0 CCADLP Cc1cn2cc(NC(=O)NC[C@H]3COCC[NH2+]3)ccc2[nH+]1 ZINC000528675532 390767301 /nfs/dbraw/zinc/76/73/01/390767301.db2.gz DEAPRCSKCSCZQU-LBPRGKRZSA-N 2 2 289.339 0.753 20 0 CCADLP COC(=O)c1coc([C@@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)c1 ZINC000572147832 390769937 /nfs/dbraw/zinc/76/99/37/390769937.db2.gz PEOHMIAJORICGF-SNVBAGLBSA-N 2 2 295.339 0.149 20 0 CCADLP CCOC[C@@H]1C[N@H+](CCc2c[nH+]cn2C)CCO1 ZINC000528730900 390772122 /nfs/dbraw/zinc/77/21/22/390772122.db2.gz HZJJQGOOJHIVCG-ZDUSSCGKSA-N 2 2 253.346 0.700 20 0 CCADLP CCOC[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)CCO1 ZINC000528730900 390772123 /nfs/dbraw/zinc/77/21/23/390772123.db2.gz HZJJQGOOJHIVCG-ZDUSSCGKSA-N 2 2 253.346 0.700 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000647098150 390775061 /nfs/dbraw/zinc/77/50/61/390775061.db2.gz HEYRGGVGEPBIAZ-CYBMUJFWSA-N 2 2 290.367 0.665 20 0 CCADLP CC(C)[C@@H]1C[C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CCO1 ZINC000572262236 390775704 /nfs/dbraw/zinc/77/57/04/390775704.db2.gz CUZSGYNXQBHYQD-IHRRRGAJSA-N 2 2 298.431 0.474 20 0 CCADLP [NH3+][C@@H](C(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1cscn1 ZINC000572284033 390776532 /nfs/dbraw/zinc/77/65/32/390776532.db2.gz OMUJZOHECCSFIF-HTQZYQBOSA-N 2 2 276.312 0.256 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000528842108 390780828 /nfs/dbraw/zinc/78/08/28/390780828.db2.gz ZBQWFVVTEZQWSZ-UHFFFAOYSA-N 2 2 288.355 0.274 20 0 CCADLP [NH3+]CC[C@@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)C(F)(F)F ZINC000572525742 390788071 /nfs/dbraw/zinc/78/80/71/390788071.db2.gz RMPNCXNQUSJPCW-PHDIDXHHSA-N 2 2 275.221 0.380 20 0 CCADLP CCc1cnc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)o1 ZINC000572529814 390788152 /nfs/dbraw/zinc/78/81/52/390788152.db2.gz WCMXTHHETPWCDA-LBPRGKRZSA-N 2 2 292.383 0.633 20 0 CCADLP CCc1cnc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)o1 ZINC000572529814 390788153 /nfs/dbraw/zinc/78/81/53/390788153.db2.gz WCMXTHHETPWCDA-LBPRGKRZSA-N 2 2 292.383 0.633 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C12CCC2)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000529323208 390807774 /nfs/dbraw/zinc/80/77/74/390807774.db2.gz DIIALXSWXJBJFZ-MFKMUULPSA-N 2 2 289.383 0.851 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C12CCC2)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000529323208 390807776 /nfs/dbraw/zinc/80/77/76/390807776.db2.gz DIIALXSWXJBJFZ-MFKMUULPSA-N 2 2 289.383 0.851 20 0 CCADLP Cc1nc(N)c(CNC(=O)C[N@@H+]2CCC(C)(C)C2)c[nH+]1 ZINC000571416079 390735069 /nfs/dbraw/zinc/73/50/69/390735069.db2.gz JJXLVAOEFXPFGT-UHFFFAOYSA-N 2 2 277.372 0.546 20 0 CCADLP Cc1nc(N)c(CNC(=O)C[N@H+]2CCC(C)(C)C2)c[nH+]1 ZINC000571416079 390735071 /nfs/dbraw/zinc/73/50/71/390735071.db2.gz JJXLVAOEFXPFGT-UHFFFAOYSA-N 2 2 277.372 0.546 20 0 CCADLP Cc1[nH]c(CNCCC[N@@H+]2CCC[C@H](C(N)=O)C2)[nH+]c1C ZINC000571582729 390743486 /nfs/dbraw/zinc/74/34/86/390743486.db2.gz ZUDOKROYMHTEFV-ZDUSSCGKSA-N 2 2 293.415 0.704 20 0 CCADLP Cc1[nH]c(CNCCC[N@H+]2CCC[C@H](C(N)=O)C2)[nH+]c1C ZINC000571582729 390743488 /nfs/dbraw/zinc/74/34/88/390743488.db2.gz ZUDOKROYMHTEFV-ZDUSSCGKSA-N 2 2 293.415 0.704 20 0 CCADLP C[C@@H](C[NH2+]CCc1cn2c([nH+]1)CCCC2)S(C)(=O)=O ZINC000571634344 390745137 /nfs/dbraw/zinc/74/51/37/390745137.db2.gz OKORUWAAWHBAET-NSHDSACASA-N 2 2 285.413 0.785 20 0 CCADLP C[N@@H+]1CCN(c2ncnc3c(F)cccc32)[C@@H](C[NH3+])C1 ZINC000572978072 390815995 /nfs/dbraw/zinc/81/59/95/390815995.db2.gz CXAYUNUMBWVSLM-JTQLQIEISA-N 2 2 275.331 0.848 20 0 CCADLP C[N@H+]1CCN(c2ncnc3c(F)cccc32)[C@@H](C[NH3+])C1 ZINC000572978072 390815997 /nfs/dbraw/zinc/81/59/97/390815997.db2.gz CXAYUNUMBWVSLM-JTQLQIEISA-N 2 2 275.331 0.848 20 0 CCADLP O=C(NC[C@@H]1COCC[NH2+]1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000529382554 390825155 /nfs/dbraw/zinc/82/51/55/390825155.db2.gz UMNIJNBBJIHXQA-GFCCVEGCSA-N 2 2 293.371 0.287 20 0 CCADLP C[N@@H+]1CCN(Cc2nc3c(s2)CCC3)[C@@H](C[NH3+])C1 ZINC000647539498 390837297 /nfs/dbraw/zinc/83/72/97/390837297.db2.gz ISIVMTNAIFEFGC-JTQLQIEISA-N 2 2 266.414 0.707 20 0 CCADLP C[N@H+]1CCN(Cc2nc3c(s2)CCC3)[C@@H](C[NH3+])C1 ZINC000647539498 390837300 /nfs/dbraw/zinc/83/73/00/390837300.db2.gz ISIVMTNAIFEFGC-JTQLQIEISA-N 2 2 266.414 0.707 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000529499030 390838853 /nfs/dbraw/zinc/83/88/53/390838853.db2.gz UUNLMOBYNQDQAD-CHWSQXEVSA-N 2 2 280.372 0.105 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000529499030 390838856 /nfs/dbraw/zinc/83/88/56/390838856.db2.gz UUNLMOBYNQDQAD-CHWSQXEVSA-N 2 2 280.372 0.105 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533866488 390886951 /nfs/dbraw/zinc/88/69/51/390886951.db2.gz ICUVROYZJBMKCJ-QWRGUYRKSA-N 2 2 293.371 0.444 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533866488 390886953 /nfs/dbraw/zinc/88/69/53/390886953.db2.gz ICUVROYZJBMKCJ-QWRGUYRKSA-N 2 2 293.371 0.444 20 0 CCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533866144 390887054 /nfs/dbraw/zinc/88/70/54/390887054.db2.gz QKOGRVBAIHHWSJ-QWRGUYRKSA-N 2 2 250.346 0.686 20 0 CCADLP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533866144 390887056 /nfs/dbraw/zinc/88/70/56/390887056.db2.gz QKOGRVBAIHHWSJ-QWRGUYRKSA-N 2 2 250.346 0.686 20 0 CCADLP C[C@@H](CC(=O)N1CCC[N@H+](C)CC1)n1cc[nH+]c1 ZINC000578537603 390890603 /nfs/dbraw/zinc/89/06/03/390890603.db2.gz GILSUUGTNMQOHL-LBPRGKRZSA-N 2 2 250.346 0.998 20 0 CCADLP C[C@@H](CC(=O)N1CCC[N@@H+](C)CC1)n1cc[nH+]c1 ZINC000578537603 390890606 /nfs/dbraw/zinc/89/06/06/390890606.db2.gz GILSUUGTNMQOHL-LBPRGKRZSA-N 2 2 250.346 0.998 20 0 CCADLP [NH3+][C@H](C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cscn1 ZINC000578536678 390891030 /nfs/dbraw/zinc/89/10/30/390891030.db2.gz KTNPTGZHIGUWSU-DLOVCJGASA-N 2 2 280.397 0.886 20 0 CCADLP [NH3+][C@H](C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cscn1 ZINC000578536678 390891033 /nfs/dbraw/zinc/89/10/33/390891033.db2.gz KTNPTGZHIGUWSU-DLOVCJGASA-N 2 2 280.397 0.886 20 0 CCADLP CN(C(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1)C1CC1 ZINC000534348601 390893987 /nfs/dbraw/zinc/89/39/87/390893987.db2.gz VYUZDTGLOZAGSU-NSHDSACASA-N 2 2 262.357 0.830 20 0 CCADLP CN(C(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1)C1CC1 ZINC000534348601 390893991 /nfs/dbraw/zinc/89/39/91/390893991.db2.gz VYUZDTGLOZAGSU-NSHDSACASA-N 2 2 262.357 0.830 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)CCn1cc[nH+]c1 ZINC000578809774 390903155 /nfs/dbraw/zinc/90/31/55/390903155.db2.gz GMFHSBRBTPOPQA-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)CCn1cc[nH+]c1 ZINC000578809774 390903157 /nfs/dbraw/zinc/90/31/57/390903157.db2.gz GMFHSBRBTPOPQA-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP COC(=O)CC1CC([NH2+]CCc2cn(C)c[nH+]2)C1 ZINC000424289130 533325042 /nfs/dbraw/zinc/32/50/42/533325042.db2.gz BIZBWEIMYBNYCD-UHFFFAOYSA-N 2 2 251.330 0.894 20 0 CCADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1cn[nH]c1 ZINC000453266210 533433075 /nfs/dbraw/zinc/43/30/75/533433075.db2.gz ODAREWGSTQTHND-DGCLKSJQSA-N 2 2 252.362 0.907 20 0 CCADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1cn[nH]c1 ZINC000453266210 533433078 /nfs/dbraw/zinc/43/30/78/533433078.db2.gz ODAREWGSTQTHND-DGCLKSJQSA-N 2 2 252.362 0.907 20 0 CCADLP COc1cccc(CC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)n1 ZINC000423011421 533467090 /nfs/dbraw/zinc/46/70/90/533467090.db2.gz ZOFWUQTWCTXSBO-GDBMZVCRSA-N 2 2 291.395 0.989 20 0 CCADLP COC(=O)[C@H]1CSCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000412068855 533507037 /nfs/dbraw/zinc/50/70/37/533507037.db2.gz GZTGTJPCHRWYRD-LLVKDONJSA-N 2 2 283.397 0.801 20 0 CCADLP COC(=O)[C@H]1CSCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000412068855 533507041 /nfs/dbraw/zinc/50/70/41/533507041.db2.gz GZTGTJPCHRWYRD-LLVKDONJSA-N 2 2 283.397 0.801 20 0 CCADLP COC(=O)[C@]1(C)CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000412076617 533585716 /nfs/dbraw/zinc/58/57/16/533585716.db2.gz SOWJSHNQQDDCPF-DZGCQCFKSA-N 2 2 284.400 0.717 20 0 CCADLP COC(=O)[C@]1(C)CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000412076617 533585721 /nfs/dbraw/zinc/58/57/21/533585721.db2.gz SOWJSHNQQDDCPF-DZGCQCFKSA-N 2 2 284.400 0.717 20 0 CCADLP COC(=O)[C@]1(C)CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000412076617 533585728 /nfs/dbraw/zinc/58/57/28/533585728.db2.gz SOWJSHNQQDDCPF-DZGCQCFKSA-N 2 2 284.400 0.717 20 0 CCADLP COC(=O)[C@]1(C)CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000412076617 533585731 /nfs/dbraw/zinc/58/57/31/533585731.db2.gz SOWJSHNQQDDCPF-DZGCQCFKSA-N 2 2 284.400 0.717 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](CC)C[C@@H]2C)C1 ZINC000341771035 130008763 /nfs/dbraw/zinc/00/87/63/130008763.db2.gz FMCQIACFGIVHCE-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](CC)C[C@@H]2C)C1 ZINC000341771035 130008765 /nfs/dbraw/zinc/00/87/65/130008765.db2.gz FMCQIACFGIVHCE-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)[C@@H](C)C1 ZINC000341771035 130008767 /nfs/dbraw/zinc/00/87/67/130008767.db2.gz FMCQIACFGIVHCE-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)[C@@H](C)C1 ZINC000341771035 130008769 /nfs/dbraw/zinc/00/87/69/130008769.db2.gz FMCQIACFGIVHCE-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000342145351 130336363 /nfs/dbraw/zinc/33/63/63/130336363.db2.gz SKXZSYWFQIRMJV-NWDGAFQWSA-N 2 2 296.415 0.862 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000082315856 135006171 /nfs/dbraw/zinc/00/61/71/135006171.db2.gz DGLYDCWXKOHNJZ-ZDUSSCGKSA-N 2 2 274.368 0.824 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000082315856 135006173 /nfs/dbraw/zinc/00/61/73/135006173.db2.gz DGLYDCWXKOHNJZ-ZDUSSCGKSA-N 2 2 274.368 0.824 20 0 CCADLP O=C(CN1CC[NH2+]CC1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000037631468 397382752 /nfs/dbraw/zinc/38/27/52/397382752.db2.gz QMRSSKLTEOOLPX-UHFFFAOYSA-N 2 2 285.351 0.716 20 0 CCADLP [NH3+]CCOCC[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC000357027915 144051758 /nfs/dbraw/zinc/05/17/58/144051758.db2.gz LVIKGXHVHJDZIM-UHFFFAOYSA-N 2 2 267.329 0.013 20 0 CCADLP Cc1cc(C(=O)N2CC[NH+](CCOCC[NH3+])CC2)c(C)o1 ZINC000357104437 144060807 /nfs/dbraw/zinc/06/08/07/144060807.db2.gz LYPSWDAITKKZSI-UHFFFAOYSA-N 2 2 295.383 0.630 20 0 CCADLP CN(C)c1nccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000357119622 144062500 /nfs/dbraw/zinc/06/25/00/144062500.db2.gz LTRIAJLQCRAPLB-VXGBXAGGSA-N 2 2 261.373 0.584 20 0 CCADLP CN(C)c1nccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000357119622 144062502 /nfs/dbraw/zinc/06/25/02/144062502.db2.gz LTRIAJLQCRAPLB-VXGBXAGGSA-N 2 2 261.373 0.584 20 0 CCADLP C[C@H](C[NH3+])C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000357246559 144072967 /nfs/dbraw/zinc/07/29/67/144072967.db2.gz XYVQSHWTCLMMQQ-MRVPVSSYSA-N 2 2 278.278 0.999 20 0 CCADLP COC[C@@]1(CNC(=O)c2ccc3[nH+]ccn3c2)CCC[NH2+]1 ZINC000357262955 144076064 /nfs/dbraw/zinc/07/60/64/144076064.db2.gz WWQCZRVABKKIIF-HNNXBMFYSA-N 2 2 288.351 0.833 20 0 CCADLP CC[NH+]1CCC(N(C)C(=O)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000357295112 144079724 /nfs/dbraw/zinc/07/97/24/144079724.db2.gz JKKKMIWSEYUGLX-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP CCOCCOC[C@H](O)C[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000357848262 144126064 /nfs/dbraw/zinc/12/60/64/144126064.db2.gz KEEAKVXNZGNIAX-MGPQQGTHSA-N 2 2 274.405 0.330 20 0 CCADLP CCOCCOC[C@H](O)C[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000357848262 144126065 /nfs/dbraw/zinc/12/60/65/144126065.db2.gz KEEAKVXNZGNIAX-MGPQQGTHSA-N 2 2 274.405 0.330 20 0 CCADLP C[C@H](C(=O)NC1CC([NH+]2CCCCC2)C1)[NH+]1CCOCC1 ZINC000357898126 144131169 /nfs/dbraw/zinc/13/11/69/144131169.db2.gz KTNZHQWGPZJTDU-WLYUNCDWSA-N 2 2 295.427 0.840 20 0 CCADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000357905058 144131596 /nfs/dbraw/zinc/13/15/96/144131596.db2.gz CCMNMLKXYVUSJS-ZIAGYGMSSA-N 2 2 286.335 0.211 20 0 CCADLP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000357904970 144131695 /nfs/dbraw/zinc/13/16/95/144131695.db2.gz BRALLAAQBCYJKM-MNOVXSKESA-N 2 2 294.742 0.327 20 0 CCADLP Cc1cc(C[N@@H+]2CCO[C@H](C[NH3+])C2)ccc1-n1cncn1 ZINC000357964396 144137532 /nfs/dbraw/zinc/13/75/32/144137532.db2.gz JHGHTODFMDRFIM-CQSZACIVSA-N 2 2 287.367 0.735 20 0 CCADLP Cc1cc(C[N@H+]2CCO[C@H](C[NH3+])C2)ccc1-n1cncn1 ZINC000357964396 144137533 /nfs/dbraw/zinc/13/75/33/144137533.db2.gz JHGHTODFMDRFIM-CQSZACIVSA-N 2 2 287.367 0.735 20 0 CCADLP COCC(=O)N1CCC([NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000358018309 144142200 /nfs/dbraw/zinc/14/22/00/144142200.db2.gz ALNOVQLYVVPNOP-DGCLKSJQSA-N 2 2 269.389 0.164 20 0 CCADLP COCC(=O)N1CCC([NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000358018309 144142201 /nfs/dbraw/zinc/14/22/01/144142201.db2.gz ALNOVQLYVVPNOP-DGCLKSJQSA-N 2 2 269.389 0.164 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]C2CCN(C(=O)COC)CC2)C1 ZINC000358029847 144143360 /nfs/dbraw/zinc/14/33/60/144143360.db2.gz WSDWORISOHRLOZ-TZMCWYRMSA-N 2 2 283.416 0.554 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]C2CCN(C(=O)COC)CC2)C1 ZINC000358029847 144143361 /nfs/dbraw/zinc/14/33/61/144143361.db2.gz WSDWORISOHRLOZ-TZMCWYRMSA-N 2 2 283.416 0.554 20 0 CCADLP COc1cccc(NC(=O)CC[N@@H+]2CCO[C@@H](C[NH3+])C2)c1 ZINC000358127015 144155372 /nfs/dbraw/zinc/15/53/72/144155372.db2.gz RYJDEYSTOQCKRT-AWEZNQCLSA-N 2 2 293.367 0.683 20 0 CCADLP COc1cccc(NC(=O)CC[N@H+]2CCO[C@@H](C[NH3+])C2)c1 ZINC000358127015 144155374 /nfs/dbraw/zinc/15/53/74/144155374.db2.gz RYJDEYSTOQCKRT-AWEZNQCLSA-N 2 2 293.367 0.683 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)N[C@@H](C)C[NH+](C)C)CCO1 ZINC000358524335 144158062 /nfs/dbraw/zinc/15/80/62/144158062.db2.gz UMWGZPYKVXUEKV-STQMWFEESA-N 2 2 286.420 0.347 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)N[C@@H](C)C[NH+](C)C)CCO1 ZINC000358524335 144158063 /nfs/dbraw/zinc/15/80/63/144158063.db2.gz UMWGZPYKVXUEKV-STQMWFEESA-N 2 2 286.420 0.347 20 0 CCADLP NC(=O)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000368594961 144234522 /nfs/dbraw/zinc/23/45/22/144234522.db2.gz VIEFEPHWTDBIJR-GJZGRUSLSA-N 2 2 273.380 0.926 20 0 CCADLP NC(=O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000368594961 144234524 /nfs/dbraw/zinc/23/45/24/144234524.db2.gz VIEFEPHWTDBIJR-GJZGRUSLSA-N 2 2 273.380 0.926 20 0 CCADLP NC(=O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000368594961 144234525 /nfs/dbraw/zinc/23/45/25/144234525.db2.gz VIEFEPHWTDBIJR-GJZGRUSLSA-N 2 2 273.380 0.926 20 0 CCADLP NC(=O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000368594961 144234527 /nfs/dbraw/zinc/23/45/27/144234527.db2.gz VIEFEPHWTDBIJR-GJZGRUSLSA-N 2 2 273.380 0.926 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000371278702 144325237 /nfs/dbraw/zinc/32/52/37/144325237.db2.gz CADXSRDFIVSWCP-JTQLQIEISA-N 2 2 250.346 0.725 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000371278702 144325238 /nfs/dbraw/zinc/32/52/38/144325238.db2.gz CADXSRDFIVSWCP-JTQLQIEISA-N 2 2 250.346 0.725 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)NCCC[NH+]1CCCCC1 ZINC000371424441 144331377 /nfs/dbraw/zinc/33/13/77/144331377.db2.gz HMHRWOVLBDAUKJ-CQSZACIVSA-N 2 2 283.416 0.699 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)NCCC[NH+]1CCCCC1 ZINC000371424441 144331378 /nfs/dbraw/zinc/33/13/78/144331378.db2.gz HMHRWOVLBDAUKJ-CQSZACIVSA-N 2 2 283.416 0.699 20 0 CCADLP CCC[C@@](C)(O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372070041 144351470 /nfs/dbraw/zinc/35/14/70/144351470.db2.gz JJXBGUBXNNRWKN-XJKSGUPXSA-N 2 2 297.443 0.822 20 0 CCADLP CCC[C@@](C)(O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372070041 144351472 /nfs/dbraw/zinc/35/14/72/144351472.db2.gz JJXBGUBXNNRWKN-XJKSGUPXSA-N 2 2 297.443 0.822 20 0 CCADLP O=C(N1CCN(c2cccc[nH+]2)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000372121006 144354306 /nfs/dbraw/zinc/35/43/06/144354306.db2.gz HVYZZTRGHRNQRW-CQSZACIVSA-N 2 2 278.331 0.432 20 0 CCADLP CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1CCn1cc[nH+]c1 ZINC000372921981 144385695 /nfs/dbraw/zinc/38/56/95/144385695.db2.gz FEIWMFHHFUGYSJ-CHWSQXEVSA-N 2 2 281.356 0.926 20 0 CCADLP CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1CCn1cc[nH+]c1 ZINC000372921981 144385696 /nfs/dbraw/zinc/38/56/96/144385696.db2.gz FEIWMFHHFUGYSJ-CHWSQXEVSA-N 2 2 281.356 0.926 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]CCCCn1cc[nH+]c1)C1CC1 ZINC000389045717 397509459 /nfs/dbraw/zinc/50/94/59/397509459.db2.gz OMQBSCIYGDYUIX-CQSZACIVSA-N 3 2 266.389 0.708 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]CCCCn1cc[nH+]c1)C1CC1 ZINC000389045717 397509461 /nfs/dbraw/zinc/50/94/61/397509461.db2.gz OMQBSCIYGDYUIX-CQSZACIVSA-N 3 2 266.389 0.708 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@H]1CC[NH+]2CCC[C@@H]2C1)C1CC1 ZINC000389106424 397509524 /nfs/dbraw/zinc/50/95/24/397509524.db2.gz KBRZCEQVECDODR-NWANDNLSSA-N 3 2 267.417 0.658 20 0 CCADLP C[NH+](C[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000389106424 397509531 /nfs/dbraw/zinc/50/95/31/397509531.db2.gz KBRZCEQVECDODR-NWANDNLSSA-N 3 2 267.417 0.658 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH2+]C1(C(N)=O)CCCCC1 ZINC000519741741 397568742 /nfs/dbraw/zinc/56/87/42/397568742.db2.gz HPPYRODOZAXLSK-NSHDSACASA-N 2 2 257.378 0.077 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+]C1(C(N)=O)CCCCC1 ZINC000519741741 397568746 /nfs/dbraw/zinc/56/87/46/397568746.db2.gz HPPYRODOZAXLSK-NSHDSACASA-N 2 2 257.378 0.077 20 0 CCADLP CC(C)n1cc[nH+]c1CN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649686424 397655557 /nfs/dbraw/zinc/65/55/57/397655557.db2.gz HSYJSRPPMKRAPM-UHFFFAOYSA-N 2 2 293.415 0.670 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000649412381 397607198 /nfs/dbraw/zinc/60/71/98/397607198.db2.gz FSPLSFXBHYQLSP-CYBMUJFWSA-N 3 2 276.384 0.822 20 0 CCADLP CCc1nc(CN2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)no1 ZINC000649413637 397608101 /nfs/dbraw/zinc/60/81/01/397608101.db2.gz VLCHRWKAWJMUFH-LBPRGKRZSA-N 2 2 279.388 0.359 20 0 CCADLP Cn1cc[nH+]c1CN1CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000649519825 397627246 /nfs/dbraw/zinc/62/72/46/397627246.db2.gz QEPKSNRTIPPDQX-CQSZACIVSA-N 2 2 277.416 0.632 20 0 CCADLP Cn1cc[nH+]c1CN1CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000649519825 397627251 /nfs/dbraw/zinc/62/72/51/397627251.db2.gz QEPKSNRTIPPDQX-CQSZACIVSA-N 2 2 277.416 0.632 20 0 CCADLP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)[C@@H](C)C1 ZINC000649587382 397640906 /nfs/dbraw/zinc/64/09/06/397640906.db2.gz IHKOOSQNFALKGI-UBHSHLNASA-N 2 2 253.390 0.927 20 0 CCADLP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000649587382 397640909 /nfs/dbraw/zinc/64/09/09/397640909.db2.gz IHKOOSQNFALKGI-UBHSHLNASA-N 2 2 253.390 0.927 20 0 CCADLP CC(C)[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH+]1CCOCC1 ZINC000548191533 286015137 /nfs/dbraw/zinc/01/51/37/286015137.db2.gz PEWCOOSOKYSVJD-CQSZACIVSA-N 2 2 294.399 0.436 20 0 CCADLP Cc1cc[nH+]cc1N1CC[NH+](CCn2cncn2)CC1 ZINC000550515868 286110004 /nfs/dbraw/zinc/11/00/04/286110004.db2.gz XXQSODNSAIUAIR-UHFFFAOYSA-N 2 2 272.356 0.804 20 0 CCADLP C[C@H](NC(=O)CCCC[NH+](C)C)[C@H](C)[NH+]1CCOCC1 ZINC000552118492 286153996 /nfs/dbraw/zinc/15/39/96/286153996.db2.gz JSQVMLVLBCGPIA-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NCCCn2cc[nH+]c2)C1 ZINC000552845131 286173980 /nfs/dbraw/zinc/17/39/80/286173980.db2.gz KWTLJQGGNQYBRG-LBPRGKRZSA-N 2 2 250.346 0.731 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)NCCCn2cc[nH+]c2)C1 ZINC000552845131 286173982 /nfs/dbraw/zinc/17/39/82/286173982.db2.gz KWTLJQGGNQYBRG-LBPRGKRZSA-N 2 2 250.346 0.731 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000552979960 286176563 /nfs/dbraw/zinc/17/65/63/286176563.db2.gz HXINZOHLPQHELK-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000552979960 286176566 /nfs/dbraw/zinc/17/65/66/286176566.db2.gz HXINZOHLPQHELK-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659357656 413441102 /nfs/dbraw/zinc/44/11/02/413441102.db2.gz LPHWXYYAGNTRCJ-MCIONIFRSA-N 2 2 281.400 0.308 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)NCCC[NH2+]C)CCO1 ZINC000418281326 287195009 /nfs/dbraw/zinc/19/50/09/287195009.db2.gz USCNSXBOZYCQBU-GFCCVEGCSA-N 2 2 272.393 0.006 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCCC[NH2+]C)CCO1 ZINC000418281326 287195011 /nfs/dbraw/zinc/19/50/11/287195011.db2.gz USCNSXBOZYCQBU-GFCCVEGCSA-N 2 2 272.393 0.006 20 0 CCADLP C[C@H](C[NH2+][C@@H](C)[C@H]1CCOC1)C[NH+]1CCOCC1 ZINC000247976602 298778401 /nfs/dbraw/zinc/77/84/01/298778401.db2.gz HWKYUVUBGJSEOV-RDBSUJKOSA-N 2 2 256.390 0.969 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000126552704 411714854 /nfs/dbraw/zinc/71/48/54/411714854.db2.gz VGCVCQQRGVGWAC-ILXRZTDVSA-N 2 2 295.427 0.698 20 0 CCADLP CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)[C@@H]1CCCOC1 ZINC000402717046 411783770 /nfs/dbraw/zinc/78/37/70/411783770.db2.gz VIRQXWWBDADCQH-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)[C@@H]1CCCOC1 ZINC000402717046 411783773 /nfs/dbraw/zinc/78/37/73/411783773.db2.gz VIRQXWWBDADCQH-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)[C@@H]1CCCOC1 ZINC000402717046 411783777 /nfs/dbraw/zinc/78/37/77/411783777.db2.gz VIRQXWWBDADCQH-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)[C@@H]1CCCOC1 ZINC000402717046 411783781 /nfs/dbraw/zinc/78/37/81/411783781.db2.gz VIRQXWWBDADCQH-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP C[C@@H](CC(=O)N1CC[NH+](C(C)(C)CO)CC1)n1cc[nH+]c1 ZINC000651589833 411902627 /nfs/dbraw/zinc/90/26/27/411902627.db2.gz SSZUURJTUVDJRB-ZDUSSCGKSA-N 2 2 294.399 0.749 20 0 CCADLP COc1cc(OC)c(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1F ZINC000651762929 411931215 /nfs/dbraw/zinc/93/12/15/411931215.db2.gz ZIDKTGZSLYGLNF-OAHLLOKOSA-N 2 2 298.358 0.999 20 0 CCADLP COc1cc(OC)c(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1F ZINC000651762929 411931219 /nfs/dbraw/zinc/93/12/19/411931219.db2.gz ZIDKTGZSLYGLNF-OAHLLOKOSA-N 2 2 298.358 0.999 20 0 CCADLP Nc1nc(N2CC([N@H+]3CC[C@@H](O)C3)C2)c2c([nH+]1)CCCC2 ZINC000651450213 411875707 /nfs/dbraw/zinc/87/57/07/411875707.db2.gz ZJOVRWHMJPJART-LLVKDONJSA-N 2 2 289.383 0.023 20 0 CCADLP CN(C)c1cc[nH+]cc1C[NH2+]CCN1CCCC1=O ZINC000651993687 411973440 /nfs/dbraw/zinc/97/34/40/411973440.db2.gz AJFMPJSCHPDWRU-UHFFFAOYSA-N 2 2 262.357 0.860 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652146372 411993353 /nfs/dbraw/zinc/99/33/53/411993353.db2.gz SDDIHIIGTFRKNA-UHFFFAOYSA-N 2 2 298.431 0.525 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652146372 411993357 /nfs/dbraw/zinc/99/33/57/411993357.db2.gz SDDIHIIGTFRKNA-UHFFFAOYSA-N 2 2 298.431 0.525 20 0 CCADLP O=C(NC[C@@H]1C[NH+]2CCN1CC2)c1ccc2c[nH+]cn2c1 ZINC000284536206 196078855 /nfs/dbraw/zinc/07/88/55/196078855.db2.gz ALFKQUFQMAGZFL-CQSZACIVSA-N 2 2 285.351 0.064 20 0 CCADLP CCO[C@@H]1C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C[NH3+] ZINC000652356523 412035588 /nfs/dbraw/zinc/03/55/88/412035588.db2.gz OUJZATVFSXAMPL-YNEHKIRRSA-N 2 2 290.429 0.107 20 0 CCADLP CCO[C@@H]1C[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C[C@H]1C[NH3+] ZINC000652356523 412035593 /nfs/dbraw/zinc/03/55/93/412035593.db2.gz OUJZATVFSXAMPL-YNEHKIRRSA-N 2 2 290.429 0.107 20 0 CCADLP O=C(CC1CC[NH2+]CC1)NCCCn1cc[nH+]c1 ZINC000020506416 171229020 /nfs/dbraw/zinc/22/90/20/171229020.db2.gz HLPUNWNNLJRRPJ-UHFFFAOYSA-N 2 2 250.346 0.779 20 0 CCADLP CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653090668 412214664 /nfs/dbraw/zinc/21/46/64/412214664.db2.gz XNYAAEDOZBAMSV-UPJWGTAASA-N 2 2 298.431 0.029 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2C2CCCC2)[C@H](C[NH3+])C1 ZINC000653055211 412204649 /nfs/dbraw/zinc/20/46/49/412204649.db2.gz XAQPSPAZHBPDDN-HZSPNIEDSA-N 2 2 265.401 0.914 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2C2CCCC2)[C@H](C[NH3+])C1 ZINC000653055211 412204653 /nfs/dbraw/zinc/20/46/53/412204653.db2.gz XAQPSPAZHBPDDN-HZSPNIEDSA-N 2 2 265.401 0.914 20 0 CCADLP CN(Cc1ccsc1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653061671 412206475 /nfs/dbraw/zinc/20/64/75/412206475.db2.gz YDUNJIQTEGGYKJ-NSHDSACASA-N 2 2 255.387 0.986 20 0 CCADLP C[C@@H]1CCCC[C@H]1OCCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653070222 412208551 /nfs/dbraw/zinc/20/85/51/412208551.db2.gz OICAFSBNNQXZKL-MGPQQGTHSA-N 2 2 285.432 0.977 20 0 CCADLP CC(C)COC1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653075952 412209646 /nfs/dbraw/zinc/20/96/46/412209646.db2.gz CTWXSPYWVQGJSO-CQSZACIVSA-N 2 2 285.432 0.929 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCC(=O)N1CCCCCC1 ZINC000653082484 412211433 /nfs/dbraw/zinc/21/14/33/412211433.db2.gz WSOXYNFEDGKFSR-CYBMUJFWSA-N 2 2 298.431 0.174 20 0 CCADLP CCN(CC)C(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653079879 412211676 /nfs/dbraw/zinc/21/16/76/412211676.db2.gz QXADDCAEDMYAMV-OLZOCXBDSA-N 2 2 298.431 0.125 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCCOC1CCCC1 ZINC000653081183 412212060 /nfs/dbraw/zinc/21/20/60/412212060.db2.gz FNUFKAXNNDFAJK-ZDUSSCGKSA-N 2 2 271.405 0.731 20 0 CCADLP CC(C)[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C(=O)N1CCCC1 ZINC000653090994 412213782 /nfs/dbraw/zinc/21/37/82/412213782.db2.gz FZXCPWHEAHDPOL-OLZOCXBDSA-N 2 2 298.431 0.029 20 0 CCADLP CN(C)C(=O)C1(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)CCCC1 ZINC000653090651 412214029 /nfs/dbraw/zinc/21/40/29/412214029.db2.gz WRRDUWXKMPGCFC-LBPRGKRZSA-N 2 2 298.431 0.030 20 0 CCADLP CCC(CC)[C@@H](O)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653089646 412214336 /nfs/dbraw/zinc/21/43/36/412214336.db2.gz ORQMEMMWWLNQEU-RYUDHWBXSA-N 2 2 259.394 0.179 20 0 CCADLP COCCOCC[NH+]1CCN(C(=O)C2([NH3+])CCCC2)CC1 ZINC000653276258 412277816 /nfs/dbraw/zinc/27/78/16/412277816.db2.gz ZDHJSHMCZBVTJP-UHFFFAOYSA-N 2 2 299.415 0.065 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000653098312 412216879 /nfs/dbraw/zinc/21/68/79/412216879.db2.gz JGQCKDGAQZRIPM-QWHCGFSZSA-N 2 2 297.424 0.927 20 0 CCADLP Cc1nc(C)c(NC(=O)[C@H]([NH3+])CC[NH+](C)C)s1 ZINC000653098833 412217420 /nfs/dbraw/zinc/21/74/20/412217420.db2.gz YZINARZWLSBYTE-SECBINFHSA-N 2 2 256.375 0.977 20 0 CCADLP CC(C)[NH+](CCNC(=O)[C@H]([NH3+])CC[NH+](C)C)C(C)C ZINC000653105499 412219747 /nfs/dbraw/zinc/21/97/47/412219747.db2.gz YVQNZMGXUXVWSS-CYBMUJFWSA-N 3 2 272.437 0.500 20 0 CCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653109442 412222378 /nfs/dbraw/zinc/22/23/78/412222378.db2.gz BNZKPCBTHPLBMB-CHWSQXEVSA-N 3 2 270.421 0.256 20 0 CCADLP CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653111872 412223425 /nfs/dbraw/zinc/22/34/25/412223425.db2.gz FJLPFRQIYWDVME-HNNXBMFYSA-N 3 2 298.475 0.844 20 0 CCADLP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653111872 412223429 /nfs/dbraw/zinc/22/34/29/412223429.db2.gz FJLPFRQIYWDVME-HNNXBMFYSA-N 3 2 298.475 0.844 20 0 CCADLP CN(C)c1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)nc1 ZINC000653112547 412224745 /nfs/dbraw/zinc/22/47/45/412224745.db2.gz APSGPPYELNBVTP-LLVKDONJSA-N 2 2 265.361 0.365 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)[NH+]1CCOCC1 ZINC000653117798 412227131 /nfs/dbraw/zinc/22/71/31/412227131.db2.gz WEIAQKMRLKJSEZ-MXYBEHONSA-N 2 2 295.427 0.742 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653116644 412227545 /nfs/dbraw/zinc/22/75/45/412227545.db2.gz NVSBITZNTPXVEO-STQMWFEESA-N 2 2 269.389 0.213 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653116644 412227549 /nfs/dbraw/zinc/22/75/49/412227549.db2.gz NVSBITZNTPXVEO-STQMWFEESA-N 2 2 269.389 0.213 20 0 CCADLP C[NH+](C)CC[C@H](N)C(=O)NCCCCNc1cccc[nH+]1 ZINC000653116722 412228083 /nfs/dbraw/zinc/22/80/83/412228083.db2.gz QAKYXSWDYCFTNI-ZDUSSCGKSA-N 2 2 293.415 0.669 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000653117344 412228298 /nfs/dbraw/zinc/22/82/98/412228298.db2.gz JHSDFLVECRZTOF-KBPBESRZSA-N 3 2 282.432 0.352 20 0 CCADLP CC[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1nccs1 ZINC000653121574 412229598 /nfs/dbraw/zinc/22/95/98/412229598.db2.gz ZDBVPEPOUQVPOW-VHSXEESVSA-N 2 2 270.402 0.989 20 0 CCADLP C[NH+](C)CC[C@@H](N)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000653119940 412230174 /nfs/dbraw/zinc/23/01/74/412230174.db2.gz AACVIUMEADHWQB-GFCCVEGCSA-N 2 2 275.356 0.230 20 0 CCADLP C[C@@H](CC[NH3+])NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653128462 412234596 /nfs/dbraw/zinc/23/45/96/412234596.db2.gz GPRFRAHPEZRERV-JTQLQIEISA-N 2 2 250.346 0.615 20 0 CCADLP C[C@H]1[NH2+]CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H]1C ZINC000653135584 412237287 /nfs/dbraw/zinc/23/72/87/412237287.db2.gz JDSIACKLUPMDNK-VXGBXAGGSA-N 2 2 276.384 0.971 20 0 CCADLP C[C@H]1[NH2+]CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1C ZINC000653135581 412237328 /nfs/dbraw/zinc/23/73/28/412237328.db2.gz JDSIACKLUPMDNK-NEPJUHHUSA-N 2 2 276.384 0.971 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000653143135 412240672 /nfs/dbraw/zinc/24/06/72/412240672.db2.gz FRFBQPKGINOKBO-ZNMIVQPWSA-N 3 2 296.459 0.504 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCc2cccc(F)c2C1 ZINC000653150635 412243765 /nfs/dbraw/zinc/24/37/65/412243765.db2.gz IJBASPSTYGEWGN-CQSZACIVSA-N 2 2 279.359 0.989 20 0 CCADLP CC(C)[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)CCO1 ZINC000653154426 412245304 /nfs/dbraw/zinc/24/53/04/412245304.db2.gz RPBBVACDMALZTQ-AVGNSLFASA-N 2 2 271.405 0.585 20 0 CCADLP CC(C)[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)CCO1 ZINC000653154425 412245399 /nfs/dbraw/zinc/24/53/99/412245399.db2.gz RPBBVACDMALZTQ-AGIUHOORSA-N 2 2 271.405 0.585 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC2(CCOC2)CC1 ZINC000653593477 412322136 /nfs/dbraw/zinc/32/21/36/412322136.db2.gz CBAMGFCRTVSUBD-CQSZACIVSA-N 2 2 286.416 0.428 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC2(CCOC2)CC1 ZINC000653593477 412322139 /nfs/dbraw/zinc/32/21/39/412322139.db2.gz CBAMGFCRTVSUBD-CQSZACIVSA-N 2 2 286.416 0.428 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC2(CC2)CC1 ZINC000653593635 412322602 /nfs/dbraw/zinc/32/26/02/412322602.db2.gz IVGRWEIXHLVBPN-CYBMUJFWSA-N 2 2 256.390 0.802 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC2(CC2)CC1 ZINC000653593635 412322605 /nfs/dbraw/zinc/32/26/05/412322605.db2.gz IVGRWEIXHLVBPN-CYBMUJFWSA-N 2 2 256.390 0.802 20 0 CCADLP COCCOC[C@@H](O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000653590575 412322620 /nfs/dbraw/zinc/32/26/20/412322620.db2.gz MLEZYJUGGNGQCM-OLZOCXBDSA-N 2 2 283.372 0.233 20 0 CCADLP COCCOC[C@@H](O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000653590575 412322622 /nfs/dbraw/zinc/32/26/22/412322622.db2.gz MLEZYJUGGNGQCM-OLZOCXBDSA-N 2 2 283.372 0.233 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+]C(C)(C)c1cnn(C)c1 ZINC000653616048 412324802 /nfs/dbraw/zinc/32/48/02/412324802.db2.gz FAUIKNYNGSYKNZ-ZDUSSCGKSA-N 2 2 284.404 0.184 20 0 CCADLP CC(C)[NH+](CCCNC(=O)[C@H]([NH3+])CC[NH+](C)C)C(C)C ZINC000653346743 412292681 /nfs/dbraw/zinc/29/26/81/412292681.db2.gz FYYOHXPIBHEVEW-CQSZACIVSA-N 3 2 286.464 0.891 20 0 CCADLP CC1(C)C[NH+](CC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000654759691 412436627 /nfs/dbraw/zinc/43/66/27/412436627.db2.gz PFMHJXNNJJPXSO-CYBMUJFWSA-N 2 2 265.401 0.929 20 0 CCADLP CC1(C)C[NH+](CC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000654759691 412436628 /nfs/dbraw/zinc/43/66/28/412436628.db2.gz PFMHJXNNJJPXSO-CYBMUJFWSA-N 2 2 265.401 0.929 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000654967492 412454974 /nfs/dbraw/zinc/45/49/74/412454974.db2.gz XTZOBJJVNLTIRE-GFCCVEGCSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000654967492 412454977 /nfs/dbraw/zinc/45/49/77/412454977.db2.gz XTZOBJJVNLTIRE-GFCCVEGCSA-N 2 2 294.399 0.503 20 0 CCADLP CCN1CC[NH+](CCC(=O)N2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000655051575 412469000 /nfs/dbraw/zinc/46/90/00/412469000.db2.gz QRXLTRIXBYHLOW-UHFFFAOYSA-N 2 2 296.459 0.567 20 0 CCADLP CCN1CC[NH+](CCC(=O)N2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000655051575 412469002 /nfs/dbraw/zinc/46/90/02/412469002.db2.gz QRXLTRIXBYHLOW-UHFFFAOYSA-N 2 2 296.459 0.567 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659450726 413511370 /nfs/dbraw/zinc/51/13/70/413511370.db2.gz GIAVGLAHVDHMLY-NSHDSACASA-N 2 2 272.393 0.086 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659450726 413511372 /nfs/dbraw/zinc/51/13/72/413511372.db2.gz GIAVGLAHVDHMLY-NSHDSACASA-N 2 2 272.393 0.086 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)n1C ZINC000659465850 413522695 /nfs/dbraw/zinc/52/26/95/413522695.db2.gz UHUGLQCJQWJGMA-GHMZBOCLSA-N 2 2 298.366 0.067 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)NCC23CC(C2)C[NH2+]3)c1 ZINC000659502981 413555698 /nfs/dbraw/zinc/55/56/98/413555698.db2.gz LZYIARTXDVKRQR-UHFFFAOYSA-N 2 2 263.345 0.014 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000659502056 413557051 /nfs/dbraw/zinc/55/70/51/413557051.db2.gz SPPWULDXXJHBPV-LPEHRKFASA-N 2 2 251.334 0.796 20 0 CCADLP CC[C@@H]1C[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CCO1 ZINC000516649687 287264976 /nfs/dbraw/zinc/26/49/76/287264976.db2.gz YRIKNVIVHPOCPD-RWMBFGLXSA-N 2 2 269.389 0.293 20 0 CCADLP CC[C@@H]1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CCO1 ZINC000516649687 287264977 /nfs/dbraw/zinc/26/49/77/287264977.db2.gz YRIKNVIVHPOCPD-RWMBFGLXSA-N 2 2 269.389 0.293 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCC1([NH3+])CCCC1 ZINC000659574680 413672448 /nfs/dbraw/zinc/67/24/48/413672448.db2.gz PGZVFJYPPXZCBO-CYBMUJFWSA-N 2 2 298.431 0.620 20 0 CCADLP C[C@H](NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)c1[nH+]ccn1C ZINC000659628041 413723694 /nfs/dbraw/zinc/72/36/94/413723694.db2.gz KHEBAOKRXDPBSS-SDDRHHMPSA-N 2 2 277.372 0.875 20 0 CCADLP C[C@@H](NC(=O)N1CCC[C@@H]([NH3+])C1)c1[nH+]ccn1C ZINC000659627700 413724180 /nfs/dbraw/zinc/72/41/80/413724180.db2.gz IAISXIGLPLODLO-NXEZZACHSA-N 2 2 251.334 0.614 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000659751590 413846749 /nfs/dbraw/zinc/84/67/49/413846749.db2.gz HURWNXUTXWSUSH-MNOVXSKESA-N 2 2 293.371 0.187 20 0 CCADLP CNS(=O)(=O)c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000659851617 413918463 /nfs/dbraw/zinc/91/84/63/413918463.db2.gz ZVHSQDFUPFQVEY-BETUJISGSA-N 2 2 295.408 0.246 20 0 CCADLP CNS(=O)(=O)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000659851617 413918470 /nfs/dbraw/zinc/91/84/70/413918470.db2.gz ZVHSQDFUPFQVEY-BETUJISGSA-N 2 2 295.408 0.246 20 0 CCADLP C[NH+]1CCN(C[C@H]2C[N@@H+]([C@@H]3COC(C)(C)C3)CCO2)CC1 ZINC000659899289 413956770 /nfs/dbraw/zinc/95/67/70/413956770.db2.gz GMGXEVFCZQQKHM-GJZGRUSLSA-N 2 2 297.443 0.502 20 0 CCADLP C[NH+]1CCN(C[C@H]2C[N@H+]([C@@H]3COC(C)(C)C3)CCO2)CC1 ZINC000659899289 413956783 /nfs/dbraw/zinc/95/67/83/413956783.db2.gz GMGXEVFCZQQKHM-GJZGRUSLSA-N 2 2 297.443 0.502 20 0 CCADLP C[C@@H]1C[C@@H]([NH+](C)CCN2C(=O)CN(C)C2=O)CC[N@@H+]1C ZINC000659983802 414021685 /nfs/dbraw/zinc/02/16/85/414021685.db2.gz WCZBJEZHIDWEOQ-NEPJUHHUSA-N 2 2 282.388 0.295 20 0 CCADLP C[C@@H]1C[C@@H]([NH+](C)CCN2C(=O)CN(C)C2=O)CC[N@H+]1C ZINC000659983802 414021696 /nfs/dbraw/zinc/02/16/96/414021696.db2.gz WCZBJEZHIDWEOQ-NEPJUHHUSA-N 2 2 282.388 0.295 20 0 CCADLP C[C@@H]1C[C@@H]([N@H+](C)CCN2C(=O)CN(C)C2=O)CC[NH+]1C ZINC000659983802 414021704 /nfs/dbraw/zinc/02/17/04/414021704.db2.gz WCZBJEZHIDWEOQ-NEPJUHHUSA-N 2 2 282.388 0.295 20 0 CCADLP C[C@@H]1C[C@@H]([N@@H+](C)CCN2C(=O)CN(C)C2=O)CC[NH+]1C ZINC000659983802 414021712 /nfs/dbraw/zinc/02/17/12/414021712.db2.gz WCZBJEZHIDWEOQ-NEPJUHHUSA-N 2 2 282.388 0.295 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(OCCCO)CC1 ZINC000659998980 414036512 /nfs/dbraw/zinc/03/65/12/414036512.db2.gz VKKBEKRECLSPET-AWEZNQCLSA-N 2 2 288.432 0.551 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(OCCCO)CC1 ZINC000659998980 414036519 /nfs/dbraw/zinc/03/65/19/414036519.db2.gz VKKBEKRECLSPET-AWEZNQCLSA-N 2 2 288.432 0.551 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCS[C@H]2COCC[C@H]21 ZINC000660017525 414061186 /nfs/dbraw/zinc/06/11/86/414061186.db2.gz MNXHQUCDLKDRQV-MJBXVCDLSA-N 2 2 288.457 0.894 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCS[C@H]2COCC[C@H]21 ZINC000660017525 414061203 /nfs/dbraw/zinc/06/12/03/414061203.db2.gz MNXHQUCDLKDRQV-MJBXVCDLSA-N 2 2 288.457 0.894 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000660017525 414061211 /nfs/dbraw/zinc/06/12/11/414061211.db2.gz MNXHQUCDLKDRQV-MJBXVCDLSA-N 2 2 288.457 0.894 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000660017525 414061220 /nfs/dbraw/zinc/06/12/20/414061220.db2.gz MNXHQUCDLKDRQV-MJBXVCDLSA-N 2 2 288.457 0.894 20 0 CCADLP [NH3+][C@@H](C(=O)NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000037393600 173174503 /nfs/dbraw/zinc/17/45/03/173174503.db2.gz SURLRNWPMPRXGO-CQSZACIVSA-N 2 2 277.368 0.525 20 0 CCADLP O=C([C@@H]1CCC[NH2+]1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000037497460 173236650 /nfs/dbraw/zinc/23/66/50/173236650.db2.gz KYTSJTXRQLSKQB-AWEZNQCLSA-N 2 2 274.368 0.478 20 0 CCADLP CCc1nnc([C@@H](C)[N@H+](C)CCCN2CC[NH+](C)CC2)[nH]1 ZINC000660145239 414152145 /nfs/dbraw/zinc/15/21/45/414152145.db2.gz OSSMUCKVANANHW-CYBMUJFWSA-N 2 2 294.447 0.997 20 0 CCADLP CCc1nnc([C@@H](C)[N@@H+](C)CCCN2CC[NH+](C)CC2)[nH]1 ZINC000660145239 414152154 /nfs/dbraw/zinc/15/21/54/414152154.db2.gz OSSMUCKVANANHW-CYBMUJFWSA-N 2 2 294.447 0.997 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)Cc1coc(S(N)(=O)=O)c1 ZINC000660146519 414154057 /nfs/dbraw/zinc/15/40/57/414154057.db2.gz GXOOTSGNGSTLDN-UHFFFAOYSA-N 2 2 298.368 0.646 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1coc(S(N)(=O)=O)c1 ZINC000660146519 414154066 /nfs/dbraw/zinc/15/40/66/414154066.db2.gz GXOOTSGNGSTLDN-UHFFFAOYSA-N 2 2 298.368 0.646 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](CCO)[C@H](C)C2)C[C@H](C)O1 ZINC000660332489 414251072 /nfs/dbraw/zinc/25/10/72/414251072.db2.gz PCXVTLRJKIKLQA-KFWWJZLASA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[NH+](CCO)[C@H](C)C2)C[C@H](C)O1 ZINC000660332489 414251080 /nfs/dbraw/zinc/25/10/80/414251080.db2.gz PCXVTLRJKIKLQA-KFWWJZLASA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[N@H+](CCO)[C@H](C)C2)C[C@H](C)O1 ZINC000660332489 414251091 /nfs/dbraw/zinc/25/10/91/414251091.db2.gz PCXVTLRJKIKLQA-KFWWJZLASA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[N@@H+](CCO)[C@H](C)C2)C[C@H](C)O1 ZINC000660332489 414251098 /nfs/dbraw/zinc/25/10/98/414251098.db2.gz PCXVTLRJKIKLQA-KFWWJZLASA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](CCO)C(C)(C)C2)C[C@H](C)O1 ZINC000660370887 414271028 /nfs/dbraw/zinc/27/10/28/414271028.db2.gz GQXXQTMMOJSWLX-GASCZTMLSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[NH+](CCO)C(C)(C)C2)C[C@H](C)O1 ZINC000660370887 414271033 /nfs/dbraw/zinc/27/10/33/414271033.db2.gz GQXXQTMMOJSWLX-GASCZTMLSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[N@H+](CCO)C(C)(C)C2)C[C@H](C)O1 ZINC000660370887 414271043 /nfs/dbraw/zinc/27/10/43/414271043.db2.gz GQXXQTMMOJSWLX-GASCZTMLSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[N@@H+](CCO)C(C)(C)C2)C[C@H](C)O1 ZINC000660370887 414271054 /nfs/dbraw/zinc/27/10/54/414271054.db2.gz GQXXQTMMOJSWLX-GASCZTMLSA-N 2 2 299.459 0.484 20 0 CCADLP CCN1CC[C@H]([N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1=O ZINC000660476460 414347553 /nfs/dbraw/zinc/34/75/53/414347553.db2.gz YQVRYCQOXKYJQY-GJZGRUSLSA-N 2 2 295.427 0.794 20 0 CCADLP CCN1CC[C@H]([N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1=O ZINC000660476460 414347562 /nfs/dbraw/zinc/34/75/62/414347562.db2.gz YQVRYCQOXKYJQY-GJZGRUSLSA-N 2 2 295.427 0.794 20 0 CCADLP O=C1NCCC[C@@H]1[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660477671 414351782 /nfs/dbraw/zinc/35/17/82/414351782.db2.gz HYZBSSDCOOCDSO-KBPBESRZSA-N 2 2 281.400 0.452 20 0 CCADLP O=C1NCCC[C@@H]1[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660477671 414351791 /nfs/dbraw/zinc/35/17/91/414351791.db2.gz HYZBSSDCOOCDSO-KBPBESRZSA-N 2 2 281.400 0.452 20 0 CCADLP COC[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)OC ZINC000660483050 414353193 /nfs/dbraw/zinc/35/31/93/414353193.db2.gz KQERFOILXSXIOL-GJZGRUSLSA-N 2 2 286.416 0.692 20 0 CCADLP COC[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)OC ZINC000660483050 414353196 /nfs/dbraw/zinc/35/31/96/414353196.db2.gz KQERFOILXSXIOL-GJZGRUSLSA-N 2 2 286.416 0.692 20 0 CCADLP O=C1C[C@H](C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)CN1 ZINC000660437254 414318680 /nfs/dbraw/zinc/31/86/80/414318680.db2.gz WMEADFSJTCWCGS-WCQYABFASA-N 2 2 261.325 0.671 20 0 CCADLP O=C1C[C@H](C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)CN1 ZINC000660437254 414318685 /nfs/dbraw/zinc/31/86/85/414318685.db2.gz WMEADFSJTCWCGS-WCQYABFASA-N 2 2 261.325 0.671 20 0 CCADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)NC1CC1)C2 ZINC000660654015 414427911 /nfs/dbraw/zinc/42/79/11/414427911.db2.gz XQADITHKBHVWFN-CQSZACIVSA-N 2 2 251.374 0.683 20 0 CCADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)NC1CC1)C2 ZINC000660654015 414427916 /nfs/dbraw/zinc/42/79/16/414427916.db2.gz XQADITHKBHVWFN-CQSZACIVSA-N 2 2 251.374 0.683 20 0 CCADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC(=O)NC1CC1)C2 ZINC000660654015 414427920 /nfs/dbraw/zinc/42/79/20/414427920.db2.gz XQADITHKBHVWFN-CQSZACIVSA-N 2 2 251.374 0.683 20 0 CCADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC(=O)NC1CC1)C2 ZINC000660654015 414427925 /nfs/dbraw/zinc/42/79/25/414427925.db2.gz XQADITHKBHVWFN-CQSZACIVSA-N 2 2 251.374 0.683 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NCC[N@H+](C)C1CC1 ZINC000660840664 414500755 /nfs/dbraw/zinc/50/07/55/414500755.db2.gz KZUDLNQFBPKTEH-UHFFFAOYSA-N 2 2 251.334 0.645 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NCC[N@@H+](C)C1CC1 ZINC000660840664 414500759 /nfs/dbraw/zinc/50/07/59/414500759.db2.gz KZUDLNQFBPKTEH-UHFFFAOYSA-N 2 2 251.334 0.645 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)NCC[N@H+](C)C1CC1 ZINC000660840664 414500761 /nfs/dbraw/zinc/50/07/61/414500761.db2.gz KZUDLNQFBPKTEH-UHFFFAOYSA-N 2 2 251.334 0.645 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)NCC[N@@H+](C)C1CC1 ZINC000660840664 414500765 /nfs/dbraw/zinc/50/07/65/414500765.db2.gz KZUDLNQFBPKTEH-UHFFFAOYSA-N 2 2 251.334 0.645 20 0 CCADLP CO[C@H](C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C1CCC1 ZINC000662267559 414703158 /nfs/dbraw/zinc/70/31/58/414703158.db2.gz VLDNPXJQRVGRLR-HUUCEWRRSA-N 2 2 295.427 0.698 20 0 CCADLP CO[C@H](C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C1CCC1 ZINC000662267559 414703159 /nfs/dbraw/zinc/70/31/59/414703159.db2.gz VLDNPXJQRVGRLR-HUUCEWRRSA-N 2 2 295.427 0.698 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000662274471 414704109 /nfs/dbraw/zinc/70/41/09/414704109.db2.gz ULMAHAKDCVFFCF-MELADBBJSA-N 3 2 253.390 0.296 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000662274471 414704110 /nfs/dbraw/zinc/70/41/10/414704110.db2.gz ULMAHAKDCVFFCF-MELADBBJSA-N 3 2 253.390 0.296 20 0 CCADLP C[N@@H+](Cc1cnc(-c2ccccc2)nc1)C[C@@H](O)C[NH3+] ZINC000662277235 414704395 /nfs/dbraw/zinc/70/43/95/414704395.db2.gz NOMBFWXZECOLPL-AWEZNQCLSA-N 2 2 272.352 0.895 20 0 CCADLP C[N@H+](Cc1cnc(-c2ccccc2)nc1)C[C@@H](O)C[NH3+] ZINC000662277235 414704396 /nfs/dbraw/zinc/70/43/96/414704396.db2.gz NOMBFWXZECOLPL-AWEZNQCLSA-N 2 2 272.352 0.895 20 0 CCADLP Cc1nnc([C@H](C)[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)[nH]1 ZINC000662282738 414705699 /nfs/dbraw/zinc/70/56/99/414705699.db2.gz QIYZWCOVTCMRIL-CABZTGNLSA-N 2 2 290.375 0.561 20 0 CCADLP COCC[NH2+]C1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662285713 414706333 /nfs/dbraw/zinc/70/63/33/414706333.db2.gz MKHQJBDMRMGSMT-AWEZNQCLSA-N 3 2 283.416 0.208 20 0 CCADLP CC(C)C[C@@H](C)N(C)C(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662286057 414706609 /nfs/dbraw/zinc/70/66/09/414706609.db2.gz SIPREOBZEBMPHA-CYBMUJFWSA-N 2 2 285.432 0.584 20 0 CCADLP Cc1cccc2nc(C[NH2+]C3(CO)CC[NH2+]CC3)cn21 ZINC000662287062 414706735 /nfs/dbraw/zinc/70/67/35/414706735.db2.gz RIVJSXHJZMBTTN-UHFFFAOYSA-N 2 2 274.368 0.847 20 0 CCADLP Cc1cccc2[nH+]c(CNC3(CO)CC[NH2+]CC3)cn21 ZINC000662287062 414706736 /nfs/dbraw/zinc/70/67/36/414706736.db2.gz RIVJSXHJZMBTTN-UHFFFAOYSA-N 2 2 274.368 0.847 20 0 CCADLP C[C@@H]1CCC[C@H](C)N1C(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662286393 414706762 /nfs/dbraw/zinc/70/67/62/414706762.db2.gz UBCCHIHYMZMPQM-BETUJISGSA-N 2 2 283.416 0.480 20 0 CCADLP C[N@H+](CCN1C(=O)NC2(CCCC2)C1=O)CC(C)(C)[NH3+] ZINC000662292793 414707492 /nfs/dbraw/zinc/70/74/92/414707492.db2.gz MJIHKWBUQZSKOV-UHFFFAOYSA-N 2 2 282.388 0.520 20 0 CCADLP C[N@@H+](CCN1C(=O)NC2(CCCC2)C1=O)CC(C)(C)[NH3+] ZINC000662292793 414707493 /nfs/dbraw/zinc/70/74/93/414707493.db2.gz MJIHKWBUQZSKOV-UHFFFAOYSA-N 2 2 282.388 0.520 20 0 CCADLP C[C@H]1C[N@H+](CCN2CC[NH2+]CC2)C[C@@H](CC(F)(F)F)O1 ZINC000662326117 414710247 /nfs/dbraw/zinc/71/02/47/414710247.db2.gz OFUVUPWUYYKVDN-NWDGAFQWSA-N 2 2 295.349 0.933 20 0 CCADLP C[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)C[C@@H](CC(F)(F)F)O1 ZINC000662326117 414710248 /nfs/dbraw/zinc/71/02/48/414710248.db2.gz OFUVUPWUYYKVDN-NWDGAFQWSA-N 2 2 295.349 0.933 20 0 CCADLP C[NH+](C)CCC[C@H]1C[N@H+](CCn2cc[nH+]c2)CCO1 ZINC000662325308 414710284 /nfs/dbraw/zinc/71/02/84/414710284.db2.gz LJFUALCLMYRTGD-AWEZNQCLSA-N 3 2 266.389 0.926 20 0 CCADLP C[NH+](C)CCC[C@H]1C[N@@H+](CCn2cc[nH+]c2)CCO1 ZINC000662325308 414710285 /nfs/dbraw/zinc/71/02/85/414710285.db2.gz LJFUALCLMYRTGD-AWEZNQCLSA-N 3 2 266.389 0.926 20 0 CCADLP CC(C)N(C)C(=O)[C@H](C)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662158399 414694129 /nfs/dbraw/zinc/69/41/29/414694129.db2.gz UBEINXDYFHAYRF-DZGCQCFKSA-N 2 2 297.443 0.773 20 0 CCADLP CC(C)N(C)C(=O)[C@H](C)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662158399 414694130 /nfs/dbraw/zinc/69/41/30/414694130.db2.gz UBEINXDYFHAYRF-DZGCQCFKSA-N 2 2 297.443 0.773 20 0 CCADLP CCc1nnc([C@@H](C)[N@H+](C)CCN2CC[NH2+]CC2)[nH]1 ZINC000662246077 414698988 /nfs/dbraw/zinc/69/89/88/414698988.db2.gz OCXMKQLIHRPSIA-LLVKDONJSA-N 2 2 266.393 0.265 20 0 CCADLP CCc1nnc([C@@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)[nH]1 ZINC000662246077 414698989 /nfs/dbraw/zinc/69/89/89/414698989.db2.gz OCXMKQLIHRPSIA-LLVKDONJSA-N 2 2 266.393 0.265 20 0 CCADLP Cc1nnc([C@@H](C)[N@H+](C)CCN2CC[NH2+]CC2)[nH]1 ZINC000662246779 414699111 /nfs/dbraw/zinc/69/91/11/414699111.db2.gz RNPMMGIMLUFUGM-SNVBAGLBSA-N 2 2 252.366 0.011 20 0 CCADLP Cc1nnc([C@@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)[nH]1 ZINC000662246779 414699112 /nfs/dbraw/zinc/69/91/12/414699112.db2.gz RNPMMGIMLUFUGM-SNVBAGLBSA-N 2 2 252.366 0.011 20 0 CCADLP CC(C)C(=O)N1CCC[N@H+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662252039 414699757 /nfs/dbraw/zinc/69/97/57/414699757.db2.gz IAASMWCJILNHNY-CYBMUJFWSA-N 2 2 269.389 0.165 20 0 CCADLP CC(C)C(=O)N1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662252039 414699758 /nfs/dbraw/zinc/69/97/58/414699758.db2.gz IAASMWCJILNHNY-CYBMUJFWSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H](C[NH3+])C(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000662760057 414770038 /nfs/dbraw/zinc/77/00/38/414770038.db2.gz VMOJYIQSGVDPER-NXEZZACHSA-N 2 2 250.346 0.924 20 0 CCADLP CC(C)OC[C@H]([NH3+])C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000662379520 414712818 /nfs/dbraw/zinc/71/28/18/414712818.db2.gz CFYOSCVWDJZEDH-LBPRGKRZSA-N 2 2 280.372 0.516 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)c3cn(CC[NH3+])nn3)cn2c1 ZINC000662398487 414714422 /nfs/dbraw/zinc/71/44/22/414714422.db2.gz GFISVRZTALSGSQ-UHFFFAOYSA-N 2 2 299.338 0.123 20 0 CCADLP C[C@H](Cc1ccco1)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000662430148 414717392 /nfs/dbraw/zinc/71/73/92/414717392.db2.gz UZUPLAJCXHJJEO-VXGBXAGGSA-N 2 2 265.357 0.560 20 0 CCADLP C[C@H](Cc1ccco1)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000662430148 414717393 /nfs/dbraw/zinc/71/73/93/414717393.db2.gz UZUPLAJCXHJJEO-VXGBXAGGSA-N 2 2 265.357 0.560 20 0 CCADLP C[N@@H+]1CCN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)[C@@H](C[NH3+])C1 ZINC000662428298 414717517 /nfs/dbraw/zinc/71/75/17/414717517.db2.gz IFUNVHLIWZXUQO-ZFWWWQNUSA-N 3 2 288.395 0.322 20 0 CCADLP C[N@H+]1CCN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)[C@@H](C[NH3+])C1 ZINC000662428298 414717518 /nfs/dbraw/zinc/71/75/18/414717518.db2.gz IFUNVHLIWZXUQO-ZFWWWQNUSA-N 3 2 288.395 0.322 20 0 CCADLP CC(C)[NH2+]CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662458615 414720508 /nfs/dbraw/zinc/72/05/08/414720508.db2.gz ZRCILXFHCMNOIC-ZDUSSCGKSA-N 3 2 282.432 0.269 20 0 CCADLP CC(C)[NH2+]CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662458615 414720509 /nfs/dbraw/zinc/72/05/09/414720509.db2.gz ZRCILXFHCMNOIC-ZDUSSCGKSA-N 3 2 282.432 0.269 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000662486460 414722494 /nfs/dbraw/zinc/72/24/94/414722494.db2.gz WMDCWIIEWWNTMU-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@H](C[NH3+])C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000662622395 414733802 /nfs/dbraw/zinc/73/38/02/414733802.db2.gz CKFCAZMNCFSRKR-LLVKDONJSA-N 2 2 262.357 0.893 20 0 CCADLP C[NH2+][C@@H](C)C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000662624660 414734035 /nfs/dbraw/zinc/73/40/35/414734035.db2.gz VPFJSFBWAAXBFD-NSHDSACASA-N 2 2 262.357 0.906 20 0 CCADLP O=C(NCc1ccc[nH+]c1N1CCCC1)[C@H]1CC[NH2+]1 ZINC000662624653 414734163 /nfs/dbraw/zinc/73/41/63/414734163.db2.gz VNDMRNMTEKCGCB-GFCCVEGCSA-N 2 2 260.341 0.660 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1coc(C[NH3+])c1 ZINC000662633364 414735267 /nfs/dbraw/zinc/73/52/67/414735267.db2.gz ZOHDWFLHLUPHCI-UHFFFAOYSA-N 3 2 282.388 0.352 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1coc(C[NH3+])c1 ZINC000662633364 414735268 /nfs/dbraw/zinc/73/52/68/414735268.db2.gz ZOHDWFLHLUPHCI-UHFFFAOYSA-N 3 2 282.388 0.352 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]([NH3+])CC(F)F)[C@H](C)CO1 ZINC000662633397 414735513 /nfs/dbraw/zinc/73/55/13/414735513.db2.gz KRSDGGPKOFNYTR-OPRDCNLKSA-N 2 2 279.331 0.194 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]([NH3+])CC(F)F)[C@H](C)CO1 ZINC000662633397 414735514 /nfs/dbraw/zinc/73/55/14/414735514.db2.gz KRSDGGPKOFNYTR-OPRDCNLKSA-N 2 2 279.331 0.194 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)c2coc(C[NH3+])c2)[C@@H](C)CO1 ZINC000662636036 414736197 /nfs/dbraw/zinc/73/61/97/414736197.db2.gz XJOBJOAWOHJOTB-QWRGUYRKSA-N 2 2 281.356 0.577 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)c2coc(C[NH3+])c2)[C@@H](C)CO1 ZINC000662636036 414736198 /nfs/dbraw/zinc/73/61/98/414736198.db2.gz XJOBJOAWOHJOTB-QWRGUYRKSA-N 2 2 281.356 0.577 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H]1C(C)(C)C1(F)F ZINC000662705692 414744107 /nfs/dbraw/zinc/74/41/07/414744107.db2.gz QQMXORNFBWTCKB-DTWKUNHWSA-N 2 2 263.332 0.673 20 0 CCADLP [NH3+]C1(CC(=O)NCc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000662715567 414745838 /nfs/dbraw/zinc/74/58/38/414745838.db2.gz UKRQWUKJGXDLSC-UHFFFAOYSA-N 2 2 276.262 0.943 20 0 CCADLP CC(C)([NH3+])c1cc(C(=O)NCCc2[nH]cc[nH+]2)on1 ZINC000662730876 414747427 /nfs/dbraw/zinc/74/74/27/414747427.db2.gz TURTYDQVJQHISA-UHFFFAOYSA-N 2 2 263.301 0.564 20 0 CCADLP CC1(C)CC[NH2+][C@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662871381 414855622 /nfs/dbraw/zinc/85/56/22/414855622.db2.gz ZGSSSTBAWSXRHS-OLZOCXBDSA-N 2 2 281.400 0.308 20 0 CCADLP COC[C@@]1(C(=O)N[C@@H](C)c2[nH+]ccn2C)CC[NH2+]C1 ZINC000662935602 414906553 /nfs/dbraw/zinc/90/65/53/414906553.db2.gz WNDUPLXJDURLHI-GXFFZTMASA-N 2 2 266.345 0.223 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000662966949 414921909 /nfs/dbraw/zinc/92/19/09/414921909.db2.gz WEFNPOWUUFDCBN-CYBMUJFWSA-N 2 2 291.395 0.857 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)C[C@H](C[NH3+])OC ZINC000662901289 414879422 /nfs/dbraw/zinc/87/94/22/414879422.db2.gz XYFJHZJZQMIMRG-VHSXEESVSA-N 2 2 254.334 0.444 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900373 414880495 /nfs/dbraw/zinc/88/04/95/414880495.db2.gz LCRRFZGTFDLVKY-HIFRSBDPSA-N 3 2 296.459 0.469 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900373 414880500 /nfs/dbraw/zinc/88/05/00/414880500.db2.gz LCRRFZGTFDLVKY-HIFRSBDPSA-N 3 2 296.459 0.469 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC000663363887 415050855 /nfs/dbraw/zinc/05/08/55/415050855.db2.gz NSUFQSRECURZHY-HOTGVXAUSA-N 3 2 297.443 0.284 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC000663363887 415050859 /nfs/dbraw/zinc/05/08/59/415050859.db2.gz NSUFQSRECURZHY-HOTGVXAUSA-N 3 2 297.443 0.284 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1nc2c(s1)C[NH2+]CC2 ZINC000663496489 415077638 /nfs/dbraw/zinc/07/76/38/415077638.db2.gz GWZPSBAHTRMGNV-NXEZZACHSA-N 3 2 266.414 0.876 20 0 CCADLP COc1c(N)[nH+]cnc1N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000663238640 415024908 /nfs/dbraw/zinc/02/49/08/415024908.db2.gz GTLAPMZHBDHMHY-CYBMUJFWSA-N 2 2 263.345 0.647 20 0 CCADLP COc1c(N)nc[nH+]c1N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000663238640 415024914 /nfs/dbraw/zinc/02/49/14/415024914.db2.gz GTLAPMZHBDHMHY-CYBMUJFWSA-N 2 2 263.345 0.647 20 0 CCADLP Cc1nc(NCc2nc(C[NH3+])cc(=O)[nH]2)c(C)c(C)[nH+]1 ZINC000663276893 415034837 /nfs/dbraw/zinc/03/48/37/415034837.db2.gz FOKDLUYOTHFYBB-UHFFFAOYSA-N 2 2 274.328 0.968 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C1(C[NH3+])CCCC1 ZINC000044763734 175247844 /nfs/dbraw/zinc/24/78/44/175247844.db2.gz RBBIRHCDWXHJNG-LBPRGKRZSA-N 2 2 269.389 0.342 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C1(C[NH3+])CCCC1 ZINC000044763715 175247937 /nfs/dbraw/zinc/24/79/37/175247937.db2.gz LTVARUCJOKAISQ-LLVKDONJSA-N 2 2 250.346 0.907 20 0 CCADLP Cn1ccc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000664308268 415338348 /nfs/dbraw/zinc/33/83/48/415338348.db2.gz QLICASDOTLQCMB-UHFFFAOYSA-N 2 2 295.431 0.708 20 0 CCADLP Cn1ccc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000664308268 415338353 /nfs/dbraw/zinc/33/83/53/415338353.db2.gz QLICASDOTLQCMB-UHFFFAOYSA-N 2 2 295.431 0.708 20 0 CCADLP C[C@H]([NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)c1nccn1C ZINC000665283411 415588638 /nfs/dbraw/zinc/58/86/38/415588638.db2.gz NGSFGUWIELCTNE-UHTWSYAYSA-N 2 2 264.373 0.838 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000423751015 287314047 /nfs/dbraw/zinc/31/40/47/287314047.db2.gz UNCJVXIQRJTMGS-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP CC[C@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)[C@H]1C)[NH+](C)C ZINC000356632718 287476968 /nfs/dbraw/zinc/47/69/68/287476968.db2.gz VJXMSQFCSBMQMA-MCIONIFRSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000683980181 545593388 /nfs/dbraw/zinc/59/33/88/545593388.db2.gz URBGNZIBCVMYHN-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000683980181 545593390 /nfs/dbraw/zinc/59/33/90/545593390.db2.gz URBGNZIBCVMYHN-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP [NH3+]CCn1cc(C[NH+]2CCN(c3ccccc3)CC2)nn1 ZINC000089709536 544516259 /nfs/dbraw/zinc/51/62/59/544516259.db2.gz RHTFQEPJCCFDAC-UHFFFAOYSA-N 2 2 286.383 0.559 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111245166 544562053 /nfs/dbraw/zinc/56/20/53/544562053.db2.gz VJKWDUNJNIJOIF-NSHDSACASA-N 2 2 290.289 0.921 20 0 CCADLP C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H]1C[NH2+]CCO1 ZINC000125433114 544590277 /nfs/dbraw/zinc/59/02/77/544590277.db2.gz LFXINUHEJXFFKO-GFCCVEGCSA-N 2 2 264.325 0.836 20 0 CCADLP C[N@H+](Cc1ccc2c(c1)OCO2)C[C@H]1C[NH2+]CCO1 ZINC000125433114 544590281 /nfs/dbraw/zinc/59/02/81/544590281.db2.gz LFXINUHEJXFFKO-GFCCVEGCSA-N 2 2 264.325 0.836 20 0 CCADLP CS(=O)(=O)CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151138666 544650789 /nfs/dbraw/zinc/65/07/89/544650789.db2.gz GZENJLYGBZAFFU-UHFFFAOYSA-N 2 2 283.397 0.638 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)NCCCOC)CC[C@@H]1[NH3+] ZINC000147424938 544644625 /nfs/dbraw/zinc/64/46/25/544644625.db2.gz AYHZGEKUJLXULX-NEPJUHHUSA-N 2 2 257.378 0.198 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)NCCCOC)CC[C@@H]1[NH3+] ZINC000147424938 544644629 /nfs/dbraw/zinc/64/46/29/544644629.db2.gz AYHZGEKUJLXULX-NEPJUHHUSA-N 2 2 257.378 0.198 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@H]([NH3+])CC(C)C)CC1 ZINC000164457889 544720207 /nfs/dbraw/zinc/72/02/07/544720207.db2.gz MPNQHECNNFGQJS-CYBMUJFWSA-N 2 2 271.405 0.541 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000220512292 544815417 /nfs/dbraw/zinc/81/54/17/544815417.db2.gz SDUCZYSKOUPLCB-NSHDSACASA-N 2 2 273.340 0.836 20 0 CCADLP C[NH+](C)CCCNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000220526279 544816391 /nfs/dbraw/zinc/81/63/91/544816391.db2.gz ALWKDLTVQUXYER-JTQLQIEISA-N 2 2 250.346 0.583 20 0 CCADLP C[NH+](C)CCCNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000220526279 544816396 /nfs/dbraw/zinc/81/63/96/544816396.db2.gz ALWKDLTVQUXYER-JTQLQIEISA-N 2 2 250.346 0.583 20 0 CCADLP CCO[C@@H]1C[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000224612164 544827354 /nfs/dbraw/zinc/82/73/54/544827354.db2.gz IRWSCHSTUAQVHS-QWHCGFSZSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000226338700 544830335 /nfs/dbraw/zinc/83/03/35/544830335.db2.gz SQMWTECLUSCRQJ-UHFFFAOYSA-N 2 2 289.401 0.747 20 0 CCADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000226338700 544830340 /nfs/dbraw/zinc/83/03/40/544830340.db2.gz SQMWTECLUSCRQJ-UHFFFAOYSA-N 2 2 289.401 0.747 20 0 CCADLP CC[C@H]1C[N@H+](CC(=O)NCCCOC)CC[C@H]1[NH3+] ZINC000251546892 544925942 /nfs/dbraw/zinc/92/59/42/544925942.db2.gz AYHZGEKUJLXULX-NWDGAFQWSA-N 2 2 257.378 0.198 20 0 CCADLP CC[C@H]1C[N@@H+](CC(=O)NCCCOC)CC[C@H]1[NH3+] ZINC000251546892 544925946 /nfs/dbraw/zinc/92/59/46/544925946.db2.gz AYHZGEKUJLXULX-NWDGAFQWSA-N 2 2 257.378 0.198 20 0 CCADLP OCCN(CC[NH+]1CCCCC1)CC[NH+]1CCOCC1 ZINC000304743214 544984851 /nfs/dbraw/zinc/98/48/51/544984851.db2.gz YUMHFKNWGMMTMI-UHFFFAOYSA-N 2 2 285.432 0.099 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000333473879 545039758 /nfs/dbraw/zinc/03/97/58/545039758.db2.gz BEUFEZPVHJJLKE-MCIONIFRSA-N 2 2 296.415 0.243 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000333669174 545041715 /nfs/dbraw/zinc/04/17/15/545041715.db2.gz MUVMGCXXHILYHF-FQUUOJAGSA-N 2 2 296.415 0.289 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000333669174 545041716 /nfs/dbraw/zinc/04/17/16/545041716.db2.gz MUVMGCXXHILYHF-FQUUOJAGSA-N 2 2 296.415 0.289 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000333729220 545042294 /nfs/dbraw/zinc/04/22/94/545042294.db2.gz HODSQHKDQLJBEJ-UPJWGTAASA-N 2 2 284.404 0.147 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000037008719 274220430 /nfs/dbraw/zinc/22/04/30/274220430.db2.gz MYJDEXXWRXOERL-ZFWWWQNUSA-N 2 2 291.395 0.393 20 0 CCADLP CC(C)C[C@H](CO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000070143821 275597137 /nfs/dbraw/zinc/59/71/37/275597137.db2.gz LCPOXQSTUSOSPS-LLVKDONJSA-N 2 2 254.378 0.983 20 0 CCADLP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263039966 276103698 /nfs/dbraw/zinc/10/36/98/276103698.db2.gz STKVRLSPNLDLBK-NXEZZACHSA-N 2 2 263.332 0.830 20 0 CCADLP C([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)[C@H]1C[NH2+]CCO1 ZINC000423560146 276816244 /nfs/dbraw/zinc/81/62/44/276816244.db2.gz JNSJVDZNRVZZCP-AAVRWANBSA-N 2 2 266.385 0.912 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)CC1 ZINC000451600295 277090359 /nfs/dbraw/zinc/09/03/59/277090359.db2.gz GWTLXBLDZVJSMD-GOEBONIOSA-N 2 2 295.427 0.147 20 0 CCADLP CC(=O)[C@@](C)(O)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000347752874 277097884 /nfs/dbraw/zinc/09/78/84/277097884.db2.gz SYZPGTUYZDZPKS-AWEZNQCLSA-N 2 2 254.374 0.887 20 0 CCADLP COCCCN(C)CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000343251252 277205665 /nfs/dbraw/zinc/20/56/65/277205665.db2.gz MJUBAGSIJTXHBW-OAGGEKHMSA-N 2 2 299.459 0.701 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[NH2+]CC2(F)F)C[C@@H](C)[NH2+]1 ZINC000342756125 277841891 /nfs/dbraw/zinc/84/18/91/277841891.db2.gz USVRDJAQPULOPO-BBBLOLIVSA-N 2 2 261.316 0.440 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCC(=O)N2)C[N@@H+]1C1CC1 ZINC000453447078 278026497 /nfs/dbraw/zinc/02/64/97/278026497.db2.gz ZBDUPNHWAVRVTR-UHIISALHSA-N 2 2 251.374 0.870 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCC(=O)N2)C[N@H+]1C1CC1 ZINC000453447078 278026499 /nfs/dbraw/zinc/02/64/99/278026499.db2.gz ZBDUPNHWAVRVTR-UHIISALHSA-N 2 2 251.374 0.870 20 0 CCADLP CC(C)(C)NC(=O)CC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422958750 278356938 /nfs/dbraw/zinc/35/69/38/278356938.db2.gz PTPPPSGDUNYPHJ-GXTWGEPZSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2[nH+]ccn2C)C[C@H]1C ZINC000271741738 278398009 /nfs/dbraw/zinc/39/80/09/278398009.db2.gz WGGCYYBKMRHOOM-VXGBXAGGSA-N 2 2 295.387 0.017 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2[nH+]ccn2C)C[C@H]1C ZINC000271741738 278398012 /nfs/dbraw/zinc/39/80/12/278398012.db2.gz WGGCYYBKMRHOOM-VXGBXAGGSA-N 2 2 295.387 0.017 20 0 CCADLP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492856245 279111972 /nfs/dbraw/zinc/11/19/72/279111972.db2.gz VJHDQOYGSLXYFL-NAGRZINJSA-N 2 2 278.356 0.336 20 0 CCADLP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492856245 279111973 /nfs/dbraw/zinc/11/19/73/279111973.db2.gz VJHDQOYGSLXYFL-NAGRZINJSA-N 2 2 278.356 0.336 20 0 CCADLP Cc1nc(N2CC[NH+]([C@@H]3CCCCNC3=O)CC2)cc[nH+]1 ZINC000128730163 279164691 /nfs/dbraw/zinc/16/46/91/279164691.db2.gz QPWBPICELGESTH-CYBMUJFWSA-N 2 2 289.383 0.576 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000494142208 279171193 /nfs/dbraw/zinc/17/11/93/279171193.db2.gz OLQKJOOPZRPXAK-NSHDSACASA-N 2 2 250.302 0.328 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000494142208 279171197 /nfs/dbraw/zinc/17/11/97/279171197.db2.gz OLQKJOOPZRPXAK-NSHDSACASA-N 2 2 250.302 0.328 20 0 CCADLP C[C@H](CO)[N@@H+]1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000346660637 279359505 /nfs/dbraw/zinc/35/95/05/279359505.db2.gz VTCLKDARCVAKKJ-GFCCVEGCSA-N 2 2 252.362 0.309 20 0 CCADLP C[C@H](CO)[N@H+]1CCCN(Cc2[nH+]ccn2C)CC1 ZINC000346660637 279359508 /nfs/dbraw/zinc/35/95/08/279359508.db2.gz VTCLKDARCVAKKJ-GFCCVEGCSA-N 2 2 252.362 0.309 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCCc1cn(C)c[nH+]1 ZINC000458779898 279367863 /nfs/dbraw/zinc/36/78/63/279367863.db2.gz CJIGHFANLMTPNH-GFCCVEGCSA-N 2 2 281.404 0.991 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCCc1cn(C)c[nH+]1 ZINC000458779898 279367866 /nfs/dbraw/zinc/36/78/66/279367866.db2.gz CJIGHFANLMTPNH-GFCCVEGCSA-N 2 2 281.404 0.991 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000352811664 288132039 /nfs/dbraw/zinc/13/20/39/288132039.db2.gz VFEXTXYMJUQXAE-TZMCWYRMSA-N 3 2 267.417 0.515 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000352811664 288132040 /nfs/dbraw/zinc/13/20/40/288132040.db2.gz VFEXTXYMJUQXAE-TZMCWYRMSA-N 3 2 267.417 0.515 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H](CO)C1CCOCC1 ZINC000360806291 288133011 /nfs/dbraw/zinc/13/30/11/288133011.db2.gz MYRBVZLIESRPLO-DFBGVHRSSA-N 2 2 268.401 0.846 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H](CO)C1CCOCC1 ZINC000360806291 288133012 /nfs/dbraw/zinc/13/30/12/288133012.db2.gz MYRBVZLIESRPLO-DFBGVHRSSA-N 2 2 268.401 0.846 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@@]1(C)CCCC[NH2+]1)[NH+]1CCOCC1 ZINC000236685849 279849452 /nfs/dbraw/zinc/84/94/52/279849452.db2.gz MBQKROCTBXEVNA-GDBMZVCRSA-N 2 2 297.443 0.992 20 0 CCADLP CC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420383357 280107072 /nfs/dbraw/zinc/10/70/72/280107072.db2.gz STWWNXYKCNGZIW-TZMCWYRMSA-N 2 2 253.390 0.977 20 0 CCADLP CC[C@@H](C)NC(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420383357 280107073 /nfs/dbraw/zinc/10/70/73/280107073.db2.gz STWWNXYKCNGZIW-TZMCWYRMSA-N 2 2 253.390 0.977 20 0 CCADLP CC(C)[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000400552572 280255149 /nfs/dbraw/zinc/25/51/49/280255149.db2.gz YFGUVVJAWQMMPL-OAGGEKHMSA-N 3 2 282.476 0.989 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000422850857 280286774 /nfs/dbraw/zinc/28/67/74/280286774.db2.gz OHPSCGNDAMETEK-ZIAGYGMSSA-N 2 2 283.416 0.729 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000422850857 280286776 /nfs/dbraw/zinc/28/67/76/280286776.db2.gz OHPSCGNDAMETEK-ZIAGYGMSSA-N 2 2 283.416 0.729 20 0 CCADLP C[NH+](C)C1(CNC(=O)C2([NH+]3CCOCC3)CCC2)CCC1 ZINC000353354415 289043827 /nfs/dbraw/zinc/04/38/27/289043827.db2.gz MNTDOYSVAFCUIF-UHFFFAOYSA-N 2 2 295.427 0.842 20 0 CCADLP C[C@@]1(C[NH3+])CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000423618280 289162502 /nfs/dbraw/zinc/16/25/02/289162502.db2.gz YMBYUPMHCFRAQC-ZBFHGGJFSA-N 2 2 295.427 0.827 20 0 CCADLP C[C@@]1(C[NH3+])CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000423618280 289162506 /nfs/dbraw/zinc/16/25/06/289162506.db2.gz YMBYUPMHCFRAQC-ZBFHGGJFSA-N 2 2 295.427 0.827 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246214932 289244073 /nfs/dbraw/zinc/24/40/73/289244073.db2.gz ATOKWUQOECIKEX-OLZOCXBDSA-N 2 2 269.389 0.117 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246214932 289244077 /nfs/dbraw/zinc/24/40/77/289244077.db2.gz ATOKWUQOECIKEX-OLZOCXBDSA-N 2 2 269.389 0.117 20 0 CCADLP CN(C)S(=O)(=O)CC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000230993401 289248903 /nfs/dbraw/zinc/24/89/03/289248903.db2.gz MNVMUXVCPAAOGI-QWHCGFSZSA-N 2 2 283.397 0.612 20 0 CCADLP C[C@H](C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)[NH+]1CCN(C)CC1 ZINC000346268608 289300250 /nfs/dbraw/zinc/30/02/50/289300250.db2.gz KLUQYWADUFYBKI-GDBMZVCRSA-N 2 2 294.443 0.177 20 0 CCADLP C[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)[NH+]1CCN(C)CC1 ZINC000346268608 289300253 /nfs/dbraw/zinc/30/02/53/289300253.db2.gz KLUQYWADUFYBKI-GDBMZVCRSA-N 2 2 294.443 0.177 20 0 CCADLP C[C@H](C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)[NH+]1CCSCC1 ZINC000358715099 289308696 /nfs/dbraw/zinc/30/86/96/289308696.db2.gz MVYQGZVPQGUZKY-FRRDWIJNSA-N 2 2 285.457 0.975 20 0 CCADLP C[C@H](C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)[NH+]1CCSCC1 ZINC000358715099 289308697 /nfs/dbraw/zinc/30/86/97/289308697.db2.gz MVYQGZVPQGUZKY-FRRDWIJNSA-N 2 2 285.457 0.975 20 0 CCADLP C[C@H](CNC(=O)[C@H]1C[C@H](F)C[NH2+]1)Cn1cc[nH+]c1 ZINC000188734140 289683631 /nfs/dbraw/zinc/68/36/31/289683631.db2.gz DNOFREUVYZLEHI-OUAUKWLOSA-N 2 2 254.309 0.335 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000333234753 289737261 /nfs/dbraw/zinc/73/72/61/289737261.db2.gz CSVCVMPFDWHNQX-AGIUHOORSA-N 2 2 283.416 0.742 20 0 CCADLP C[C@H]([NH2+][C@H]1C[C@@H]2CCCCN2C1=O)[C@H]1CCC[NH2+]1 ZINC000423159177 290061334 /nfs/dbraw/zinc/06/13/34/290061334.db2.gz FLQPEUBDYKLUHJ-RVMXOQNASA-N 2 2 251.374 0.870 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000333543377 290077244 /nfs/dbraw/zinc/07/72/44/290077244.db2.gz JNEFHMDIUNBRIN-LBPRGKRZSA-N 2 2 284.404 0.006 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000333543377 290077247 /nfs/dbraw/zinc/07/72/47/290077247.db2.gz JNEFHMDIUNBRIN-LBPRGKRZSA-N 2 2 284.404 0.006 20 0 CCADLP C[C@H]([C@H](C)NC(=O)NCC[N@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000352730652 290204038 /nfs/dbraw/zinc/20/40/38/290204038.db2.gz JJVDTEBFQCFBRR-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H]([C@H](C)NC(=O)NCC[N@@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000352730652 290204041 /nfs/dbraw/zinc/20/40/41/290204041.db2.gz JJVDTEBFQCFBRR-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP CNC(=O)NC1CC[NH+](C[C@H]([NH3+])CC(C)C)CC1 ZINC000415129286 290500805 /nfs/dbraw/zinc/50/08/05/290500805.db2.gz UGHQYMSBHBIBEV-LLVKDONJSA-N 2 2 256.394 0.753 20 0 CCADLP COC[C@]1(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CCC[NH2+]1 ZINC000423420385 293294239 /nfs/dbraw/zinc/29/42/39/293294239.db2.gz WUUHFGMVJOBTPW-BFHYXJOUSA-N 3 2 255.406 0.733 20 0 CCADLP C[C@@H]1C[N@@H+]([C@H]2CCCN(c3ccn(C)n3)C2=O)CC[C@H]1[NH3+] ZINC000430948923 297074480 /nfs/dbraw/zinc/07/44/80/297074480.db2.gz LWNNHBYZBAWDQZ-UPJWGTAASA-N 2 2 291.399 0.585 20 0 CCADLP C[C@@H]1C[N@H+]([C@H]2CCCN(c3ccn(C)n3)C2=O)CC[C@H]1[NH3+] ZINC000430948923 297074481 /nfs/dbraw/zinc/07/44/81/297074481.db2.gz LWNNHBYZBAWDQZ-UPJWGTAASA-N 2 2 291.399 0.585 20 0 CCADLP C[C@@H]1C[N@@H+]([C@H]2CCN(CC(F)(F)F)C2=O)CC[C@H]1[NH3+] ZINC000430949646 297075309 /nfs/dbraw/zinc/07/53/09/297075309.db2.gz OHMMPHQADDXUTR-BBBLOLIVSA-N 2 2 279.306 0.819 20 0 CCADLP C[C@@H]1C[N@H+]([C@H]2CCN(CC(F)(F)F)C2=O)CC[C@H]1[NH3+] ZINC000430949646 297075311 /nfs/dbraw/zinc/07/53/11/297075311.db2.gz OHMMPHQADDXUTR-BBBLOLIVSA-N 2 2 279.306 0.819 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(=O)n4[nH]ccc4n3)C[C@H]21 ZINC000342078168 295309721 /nfs/dbraw/zinc/30/97/21/295309721.db2.gz CDCZUFUGJBPSGD-RAIGVLPGSA-N 2 2 287.367 0.582 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(=O)n4[nH]ccc4n3)C[C@H]21 ZINC000342078168 295309722 /nfs/dbraw/zinc/30/97/22/295309722.db2.gz CDCZUFUGJBPSGD-RAIGVLPGSA-N 2 2 287.367 0.582 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)OCCO)C[N@@H+]1C1CC1 ZINC000311215413 297283266 /nfs/dbraw/zinc/28/32/66/297283266.db2.gz RLOXQDSIDQICKN-VXGBXAGGSA-N 2 2 256.390 0.989 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)OCCO)C[N@H+]1C1CC1 ZINC000311215413 297283267 /nfs/dbraw/zinc/28/32/67/297283267.db2.gz RLOXQDSIDQICKN-VXGBXAGGSA-N 2 2 256.390 0.989 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@](C)(CO)c1ccccc1 ZINC000388620330 545086501 /nfs/dbraw/zinc/08/65/01/545086501.db2.gz STLBUHBLUYNLTC-CABCVRRESA-N 2 2 266.385 0.796 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@](C)(CO)c1ccccc1 ZINC000388620330 545086502 /nfs/dbraw/zinc/08/65/02/545086502.db2.gz STLBUHBLUYNLTC-CABCVRRESA-N 2 2 266.385 0.796 20 0 CCADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)CO[C@H](C)COC)C1 ZINC000389555058 545087033 /nfs/dbraw/zinc/08/70/33/545087033.db2.gz QYYIHICYQDVSOT-HZSPNIEDSA-N 2 2 274.405 0.473 20 0 CCADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CO[C@H](C)COC)C1 ZINC000389555058 545087034 /nfs/dbraw/zinc/08/70/34/545087034.db2.gz QYYIHICYQDVSOT-HZSPNIEDSA-N 2 2 274.405 0.473 20 0 CCADLP C[C@@](C[NH3+])([NH2+]Cc1cc(=O)n2[nH]ccc2n1)C1CC1 ZINC000430587959 297837924 /nfs/dbraw/zinc/83/79/24/297837924.db2.gz XRXGPAHLZJXRAI-ZDUSSCGKSA-N 2 2 261.329 0.240 20 0 CCADLP C[C@H](C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+])[NH+]1CCOCC1 ZINC000428157301 298021906 /nfs/dbraw/zinc/02/19/06/298021906.db2.gz OWGFVZRXWGOEOW-YNEHKIRRSA-N 2 2 269.389 0.435 20 0 CCADLP C[C@H](C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)[NH+]1CCSCC1 ZINC000352805737 298078478 /nfs/dbraw/zinc/07/84/78/298078478.db2.gz MQBSYCLQFCOGRC-RDBSUJKOSA-N 2 2 297.468 0.976 20 0 CCADLP C[C@H](C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)[NH+]1CCSCC1 ZINC000352805737 298078480 /nfs/dbraw/zinc/07/84/80/298078480.db2.gz MQBSYCLQFCOGRC-RDBSUJKOSA-N 2 2 297.468 0.976 20 0 CCADLP CCn1cc(C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)nn1 ZINC000404412176 545091358 /nfs/dbraw/zinc/09/13/58/545091358.db2.gz KAXHOPUXISFHOV-MNOVXSKESA-N 2 2 253.350 0.155 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)CC12CCC2 ZINC000582614701 329117858 /nfs/dbraw/zinc/11/78/58/329117858.db2.gz IJRNDWHEUGZMJJ-OLZOCXBDSA-N 2 2 256.390 0.678 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)CC12CCC2 ZINC000582614701 329117860 /nfs/dbraw/zinc/11/78/60/329117860.db2.gz IJRNDWHEUGZMJJ-OLZOCXBDSA-N 2 2 256.390 0.678 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000582614701 329117861 /nfs/dbraw/zinc/11/78/61/329117861.db2.gz IJRNDWHEUGZMJJ-OLZOCXBDSA-N 2 2 256.390 0.678 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000582614701 329117863 /nfs/dbraw/zinc/11/78/63/329117863.db2.gz IJRNDWHEUGZMJJ-OLZOCXBDSA-N 2 2 256.390 0.678 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000582734265 329132544 /nfs/dbraw/zinc/13/25/44/329132544.db2.gz VJVCHFCOPAZYQW-SDDRHHMPSA-N 2 2 298.349 0.934 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000582734265 329132545 /nfs/dbraw/zinc/13/25/45/329132545.db2.gz VJVCHFCOPAZYQW-SDDRHHMPSA-N 2 2 298.349 0.934 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000582734265 329132546 /nfs/dbraw/zinc/13/25/46/329132546.db2.gz VJVCHFCOPAZYQW-SDDRHHMPSA-N 2 2 298.349 0.934 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000582734265 329132547 /nfs/dbraw/zinc/13/25/47/329132547.db2.gz VJVCHFCOPAZYQW-SDDRHHMPSA-N 2 2 298.349 0.934 20 0 CCADLP COc1c(N)[nH+]cnc1NCC[N@@H+]1CCC[C@H](C)C1 ZINC000582796100 329207819 /nfs/dbraw/zinc/20/78/19/329207819.db2.gz JPETWBKBGMVCRH-JTQLQIEISA-N 2 2 265.361 0.633 20 0 CCADLP COc1c(N)[nH+]cnc1NCC[N@H+]1CCC[C@H](C)C1 ZINC000582796100 329207821 /nfs/dbraw/zinc/20/78/21/329207821.db2.gz JPETWBKBGMVCRH-JTQLQIEISA-N 2 2 265.361 0.633 20 0 CCADLP C[C@H](CNC(=O)C[NH+]1CC(C)(C)C1)C[NH+]1CCN(C)CC1 ZINC000553492204 327076326 /nfs/dbraw/zinc/07/63/26/327076326.db2.gz VDBNSSVKEMFTCM-CQSZACIVSA-N 2 2 296.459 0.328 20 0 CCADLP C[C@H](CNC(=O)C[NH+]1CC(C)(C)C1)CN1CC[NH+](C)CC1 ZINC000553492204 327076328 /nfs/dbraw/zinc/07/63/28/327076328.db2.gz VDBNSSVKEMFTCM-CQSZACIVSA-N 2 2 296.459 0.328 20 0 CCADLP COCCOCC[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000584239872 327112214 /nfs/dbraw/zinc/11/22/14/327112214.db2.gz OYWVJEGPCLQCFP-UHFFFAOYSA-N 2 2 274.405 0.474 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CS1 ZINC000566121124 327141297 /nfs/dbraw/zinc/14/12/97/327141297.db2.gz XXDWFXCBTDJGSH-XHJNMGKDSA-N 2 2 288.457 0.940 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CS1 ZINC000566121124 327141299 /nfs/dbraw/zinc/14/12/99/327141299.db2.gz XXDWFXCBTDJGSH-XHJNMGKDSA-N 2 2 288.457 0.940 20 0 CCADLP C[C@@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCN(C)CC1 ZINC000583441534 327366504 /nfs/dbraw/zinc/36/65/04/327366504.db2.gz RVTCSWWZZZGTRH-RDGKXADDSA-N 2 2 294.443 0.364 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(C(=O)N(C)C)CCCC1 ZINC000583625127 328717083 /nfs/dbraw/zinc/71/70/83/328717083.db2.gz JNLKCDQJLSRVFM-UONOGXRCSA-N 2 2 297.443 0.992 20 0 CCADLP Cn1cc([C@@H]2C[N@H+](C[C@@H]3CCCC[C@H]3O)C[C@H]2[NH3+])cn1 ZINC000583697956 329068893 /nfs/dbraw/zinc/06/88/93/329068893.db2.gz DUEHNJQZHMLSAZ-SPWCGHHHSA-N 2 2 278.400 0.698 20 0 CCADLP Cn1cc([C@@H]2C[N@@H+](C[C@@H]3CCCC[C@H]3O)C[C@H]2[NH3+])cn1 ZINC000583697956 329068895 /nfs/dbraw/zinc/06/88/95/329068895.db2.gz DUEHNJQZHMLSAZ-SPWCGHHHSA-N 2 2 278.400 0.698 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCC2=CCCC2)[C@@H](C[NH3+])C1 ZINC000582476050 329094772 /nfs/dbraw/zinc/09/47/72/329094772.db2.gz HGOVSTSNKBLEFD-ZDUSSCGKSA-N 2 2 266.389 0.771 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)C2(C[NH3+])CCCC2)CCO1 ZINC000583026409 329299328 /nfs/dbraw/zinc/29/93/28/329299328.db2.gz BADKRQXNKYUWNO-LBPRGKRZSA-N 2 2 269.389 0.342 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)C2(C[NH3+])CCCC2)CCO1 ZINC000583026409 329299330 /nfs/dbraw/zinc/29/93/30/329299330.db2.gz BADKRQXNKYUWNO-LBPRGKRZSA-N 2 2 269.389 0.342 20 0 CCADLP CCc1cnc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])s1 ZINC000583013759 329302301 /nfs/dbraw/zinc/30/23/01/329302301.db2.gz JPOJKQXIXWYIEJ-SNVBAGLBSA-N 2 2 297.428 0.490 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000583211720 329368045 /nfs/dbraw/zinc/36/80/45/329368045.db2.gz DYMCOVUPIJDDAN-CHWSQXEVSA-N 3 2 282.432 0.399 20 0 CCADLP [NH3+]CC(F)(F)CC(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000575325602 335093945 /nfs/dbraw/zinc/09/39/45/335093945.db2.gz QWGZPNOFOLSWGS-ZCFIWIBFSA-N 2 2 257.231 0.036 20 0 CCADLP C[C@@H](O)CNc1cc(NCC2([NH+](C)C)CC2)nc[nH+]1 ZINC000419011888 533712424 /nfs/dbraw/zinc/71/24/24/533712424.db2.gz UGPJLMVVQCALKO-SNVBAGLBSA-N 2 2 265.361 0.197 20 0 CCADLP [NH3+][C@@H]1C[N@H+](CCN2CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000575803626 335116895 /nfs/dbraw/zinc/11/68/95/335116895.db2.gz VFCAMKCYEAITML-JKSUJKDBSA-N 3 2 274.412 0.318 20 0 CCADLP [NH3+][C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000575803626 335116896 /nfs/dbraw/zinc/11/68/96/335116896.db2.gz VFCAMKCYEAITML-JKSUJKDBSA-N 3 2 274.412 0.318 20 0 CCADLP CCC[C@H]1C(=O)NCC[N@H+]1CCCc1c[nH+]cn1C ZINC000575878652 335127519 /nfs/dbraw/zinc/12/75/19/335127519.db2.gz YQJIAYBFRHIXTR-ZDUSSCGKSA-N 2 2 264.373 0.953 20 0 CCADLP CCC[C@H]1C(=O)NCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000575878652 335127521 /nfs/dbraw/zinc/12/75/21/335127521.db2.gz YQJIAYBFRHIXTR-ZDUSSCGKSA-N 2 2 264.373 0.953 20 0 CCADLP CC[NH+]1CCN([C@H](C)CNC(=O)Cn2cc[nH+]c2)CC1 ZINC000575966985 335136056 /nfs/dbraw/zinc/13/60/56/335136056.db2.gz JALZSGIEJHCXIF-CYBMUJFWSA-N 2 2 279.388 0.025 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)Cc1[nH]c[nH+]c1C ZINC000576185296 335166626 /nfs/dbraw/zinc/16/66/26/335166626.db2.gz ONEOYFCHPZNSLK-NSHDSACASA-N 2 2 250.346 0.813 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)Cc1[nH]c[nH+]c1C ZINC000576185296 335166627 /nfs/dbraw/zinc/16/66/27/335166627.db2.gz ONEOYFCHPZNSLK-NSHDSACASA-N 2 2 250.346 0.813 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)C[NH+]1CC(C)(C)C1 ZINC000553429341 334384364 /nfs/dbraw/zinc/38/43/64/334384364.db2.gz ZGNRFHLGQZLZBD-UHFFFAOYSA-N 2 2 269.389 0.119 20 0 CCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NCc1[nH+]ccn1C)CC2 ZINC000553429312 334384414 /nfs/dbraw/zinc/38/44/14/334384414.db2.gz XLQNTWKJKKYGOG-NSHDSACASA-N 2 2 273.340 0.804 20 0 CCADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000553555974 334391355 /nfs/dbraw/zinc/39/13/55/334391355.db2.gz RSDYJQDLOIGQQQ-AWEZNQCLSA-N 2 2 296.459 0.470 20 0 CCADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000553555974 334391356 /nfs/dbraw/zinc/39/13/56/334391356.db2.gz RSDYJQDLOIGQQQ-AWEZNQCLSA-N 2 2 296.459 0.470 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000576289802 335184546 /nfs/dbraw/zinc/18/45/46/335184546.db2.gz PUDLAFHEJMVLTJ-CVEARBPZSA-N 3 2 299.459 0.343 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000576289802 335184547 /nfs/dbraw/zinc/18/45/47/335184547.db2.gz PUDLAFHEJMVLTJ-CVEARBPZSA-N 3 2 299.459 0.343 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000576289802 335184548 /nfs/dbraw/zinc/18/45/48/335184548.db2.gz PUDLAFHEJMVLTJ-CVEARBPZSA-N 3 2 299.459 0.343 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000576289802 335184549 /nfs/dbraw/zinc/18/45/49/335184549.db2.gz PUDLAFHEJMVLTJ-CVEARBPZSA-N 3 2 299.459 0.343 20 0 CCADLP [NH3+][C@@H](C(=O)N1CC[NH+](CC2CC2)CC1)c1cscn1 ZINC000576634621 335228366 /nfs/dbraw/zinc/22/83/66/335228366.db2.gz XHPWQBIIKDTUFF-GFCCVEGCSA-N 2 2 280.397 0.697 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H](CO)CC(F)F)C1CC1 ZINC000576636802 335228819 /nfs/dbraw/zinc/22/88/19/335228819.db2.gz LGSNZJIPLLEJJM-SCZZXKLOSA-N 2 2 252.305 0.047 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](CO)CC(F)F)C1CC1 ZINC000576636802 335228820 /nfs/dbraw/zinc/22/88/20/335228820.db2.gz LGSNZJIPLLEJJM-SCZZXKLOSA-N 2 2 252.305 0.047 20 0 CCADLP C[C@H](CC(=O)NC[C@H](C)N1CC[NH+](C)CC1)n1cc[nH+]c1 ZINC000576879431 335259403 /nfs/dbraw/zinc/25/94/03/335259403.db2.gz IOTZDIZURLFLFV-KGLIPLIRSA-N 2 2 293.415 0.586 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3cc(O)cc(F)c3)CCN2C1=O ZINC000580570767 335285300 /nfs/dbraw/zinc/28/53/00/335285300.db2.gz LINLRHWGTKHOLL-DGCLKSJQSA-N 2 2 279.315 0.275 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3cc(O)cc(F)c3)CCN2C1=O ZINC000580570767 335285301 /nfs/dbraw/zinc/28/53/01/335285301.db2.gz LINLRHWGTKHOLL-DGCLKSJQSA-N 2 2 279.315 0.275 20 0 CCADLP Cc1ccc([C@@H](C[NH2+]CCC(=O)NC(N)=O)[NH+](C)C)cc1 ZINC000577097293 335299480 /nfs/dbraw/zinc/29/94/80/335299480.db2.gz BLWMHUHHTRJITK-CYBMUJFWSA-N 2 2 292.383 0.772 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3cccc(F)c3)CCN2C1=O ZINC000577124956 335305007 /nfs/dbraw/zinc/30/50/07/335305007.db2.gz KIWJXXRAMXQCBW-STQMWFEESA-N 2 2 263.316 0.570 20 0 CCADLP COc1c(N)[nH+]cnc1NCC[N@@H+]1CCCC[C@H]1C ZINC000580658170 335314746 /nfs/dbraw/zinc/31/47/46/335314746.db2.gz CQIUUBFPAQCUSU-SNVBAGLBSA-N 2 2 265.361 0.776 20 0 CCADLP COc1c(N)[nH+]cnc1NCC[N@H+]1CCCC[C@H]1C ZINC000580658170 335314748 /nfs/dbraw/zinc/31/47/48/335314748.db2.gz CQIUUBFPAQCUSU-SNVBAGLBSA-N 2 2 265.361 0.776 20 0 CCADLP C[C@@H](NC(=O)C1([NH3+])CCC1)[C@H](C)[NH+]1CCOCC1 ZINC000577369434 335343498 /nfs/dbraw/zinc/34/34/98/335343498.db2.gz COGJBLRQMRUWLN-MNOVXSKESA-N 2 2 255.362 0.093 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000577564991 335369292 /nfs/dbraw/zinc/36/92/92/335369292.db2.gz SUVZALKPVUKCKT-LBPRGKRZSA-N 2 2 250.346 0.872 20 0 CCADLP CC(C)[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000577564991 335369294 /nfs/dbraw/zinc/36/92/94/335369294.db2.gz SUVZALKPVUKCKT-LBPRGKRZSA-N 2 2 250.346 0.872 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000577622161 335380260 /nfs/dbraw/zinc/38/02/60/335380260.db2.gz XJFZEDMKKZVHBJ-VHSXEESVSA-N 2 2 270.295 0.610 20 0 CCADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000577622161 335380261 /nfs/dbraw/zinc/38/02/61/335380261.db2.gz XJFZEDMKKZVHBJ-VHSXEESVSA-N 2 2 270.295 0.610 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC[C@H]1[NH3+] ZINC000577634098 335383498 /nfs/dbraw/zinc/38/34/98/335383498.db2.gz BVJBJHLZHKRCLM-OJLVUWQFSA-N 3 2 277.412 0.586 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC[C@H]1[NH3+] ZINC000577634098 335383499 /nfs/dbraw/zinc/38/34/99/335383499.db2.gz BVJBJHLZHKRCLM-OJLVUWQFSA-N 3 2 277.412 0.586 20 0 CCADLP C[NH+](C)CCCNC(=O)CSCC[NH+]1CCOCC1 ZINC000179748535 335514087 /nfs/dbraw/zinc/51/40/87/335514087.db2.gz VGQMDTJZBMQMGG-UHFFFAOYSA-N 2 2 289.445 0.120 20 0 CCADLP CO[C@@H]([C@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C1CC1 ZINC000581121347 336011013 /nfs/dbraw/zinc/01/10/13/336011013.db2.gz MPMLYNVSXYLOLR-UHTWSYAYSA-N 2 2 284.404 0.084 20 0 CCADLP CO[C@@H]([C@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C1CC1 ZINC000581121347 336011014 /nfs/dbraw/zinc/01/10/14/336011014.db2.gz MPMLYNVSXYLOLR-UHTWSYAYSA-N 2 2 284.404 0.084 20 0 CCADLP CC[C@H](CCO)C[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000581131182 336012922 /nfs/dbraw/zinc/01/29/22/336012922.db2.gz AZVVMTGRVYSLHO-TUVASFSCSA-N 2 2 288.432 0.455 20 0 CCADLP C[C@H]1C[N@H+](CCN2CC[C@]3(CC[NH2+]C3)C2)CCO1 ZINC000581132781 336013374 /nfs/dbraw/zinc/01/33/74/336013374.db2.gz QCCYTAUDEGZJGZ-KBPBESRZSA-N 2 2 253.390 0.393 20 0 CCADLP C[C@H]1C[N@@H+](CCN2CC[C@]3(CC[NH2+]C3)C2)CCO1 ZINC000581132781 336013375 /nfs/dbraw/zinc/01/33/75/336013375.db2.gz QCCYTAUDEGZJGZ-KBPBESRZSA-N 2 2 253.390 0.393 20 0 CCADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000581140299 336014784 /nfs/dbraw/zinc/01/47/84/336014784.db2.gz LCWUQOBVCCNDAJ-CHWSQXEVSA-N 2 2 283.416 0.242 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000581140299 336014785 /nfs/dbraw/zinc/01/47/85/336014785.db2.gz LCWUQOBVCCNDAJ-CHWSQXEVSA-N 2 2 283.416 0.242 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000581187874 336021158 /nfs/dbraw/zinc/02/11/58/336021158.db2.gz GVCQKWBGGLWGFI-CYBMUJFWSA-N 2 2 281.400 0.167 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])C1 ZINC000581304535 336043491 /nfs/dbraw/zinc/04/34/91/336043491.db2.gz JQACWPCPBXWHRX-LVQVYYBASA-N 3 2 299.459 0.685 20 0 CCADLP CC(C)C[C@@H](CNC(=O)[C@H](C)[NH2+]C1CC1)[NH+]1CCOCC1 ZINC000382992418 336101242 /nfs/dbraw/zinc/10/12/42/336101242.db2.gz YVEORMSQMRTSOD-ZFWWWQNUSA-N 2 2 297.443 0.990 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000384739333 336130216 /nfs/dbraw/zinc/13/02/16/336130216.db2.gz LMRXVWFMPUMBBQ-UHFFFAOYSA-N 2 2 256.350 0.034 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000384739333 336130218 /nfs/dbraw/zinc/13/02/18/336130218.db2.gz LMRXVWFMPUMBBQ-UHFFFAOYSA-N 2 2 256.350 0.034 20 0 CCADLP CCc1nc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cs1 ZINC000581777035 336145699 /nfs/dbraw/zinc/14/56/99/336145699.db2.gz QMJSPLNQRHPIBU-NSHDSACASA-N 2 2 297.428 0.490 20 0 CCADLP CCc1nc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cs1 ZINC000581777035 336145700 /nfs/dbraw/zinc/14/57/00/336145700.db2.gz QMJSPLNQRHPIBU-NSHDSACASA-N 2 2 297.428 0.490 20 0 CCADLP C[C@H](O)[C@H]1C[N@H+](CCCc2c[nH+]cn2C)CCO1 ZINC000581832618 336149488 /nfs/dbraw/zinc/14/94/88/336149488.db2.gz NYVDLCWTSXJPPR-WCQYABFASA-N 2 2 253.346 0.434 20 0 CCADLP C[C@H](O)[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)CCO1 ZINC000581832618 336149489 /nfs/dbraw/zinc/14/94/89/336149489.db2.gz NYVDLCWTSXJPPR-WCQYABFASA-N 2 2 253.346 0.434 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000581873933 336156214 /nfs/dbraw/zinc/15/62/14/336156214.db2.gz SVQWLGKHFXNQKY-KGLIPLIRSA-N 2 2 298.431 0.396 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000581873933 336156216 /nfs/dbraw/zinc/15/62/16/336156216.db2.gz SVQWLGKHFXNQKY-KGLIPLIRSA-N 2 2 298.431 0.396 20 0 CCADLP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000385949884 336163198 /nfs/dbraw/zinc/16/31/98/336163198.db2.gz CMBRVJNOHJTAKA-CABCVRRESA-N 3 2 268.449 0.744 20 0 CCADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000581939632 336173014 /nfs/dbraw/zinc/17/30/14/336173014.db2.gz QTLKPHQPRTXVSR-KSTCHIGDSA-N 2 2 274.405 0.470 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)c1conc1C(C)(C)[NH3+] ZINC000582013723 336192342 /nfs/dbraw/zinc/19/23/42/336192342.db2.gz VALCLCKENCNLEP-SECBINFHSA-N 2 2 277.328 0.883 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366055408 520573672 /nfs/dbraw/zinc/57/36/72/520573672.db2.gz YHMRGTXSDVNQBV-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000358502106 533727410 /nfs/dbraw/zinc/72/74/10/533727410.db2.gz OKWPHEOCIRGRGR-STQMWFEESA-N 2 2 286.420 0.299 20 0 CCADLP C[C@@H](C[NH3+])CNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000418470232 533761612 /nfs/dbraw/zinc/76/16/12/533761612.db2.gz LDBPXDWBEWFQCM-LBPRGKRZSA-N 2 2 280.372 0.702 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423757791 533794240 /nfs/dbraw/zinc/79/42/40/533794240.db2.gz DSFIXHIZTXNSQM-XQQFMLRXSA-N 2 2 283.416 0.695 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423757791 533794248 /nfs/dbraw/zinc/79/42/48/533794248.db2.gz DSFIXHIZTXNSQM-XQQFMLRXSA-N 2 2 283.416 0.695 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CC[NH2+]1 ZINC000424188746 534071240 /nfs/dbraw/zinc/07/12/40/534071240.db2.gz JUVPCPWUWHLFKD-DCAQKATOSA-N 2 2 275.343 0.736 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000418562209 534092488 /nfs/dbraw/zinc/09/24/88/534092488.db2.gz UCYKCDGQOQQRAN-CHWSQXEVSA-N 2 2 279.388 0.913 20 0 CCADLP O=C(CCCC[NH+]1CCOCC1)Nc1cc[nH+]cc1O ZINC000358354019 534342481 /nfs/dbraw/zinc/34/24/81/534342481.db2.gz MWEYRIVKQWEUAW-UHFFFAOYSA-N 2 2 279.340 0.650 20 0 CCADLP OC[C@@H](O)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000361425850 534380334 /nfs/dbraw/zinc/38/03/34/534380334.db2.gz JMZJGAWJSCWPDG-JTQLQIEISA-N 2 2 270.295 0.346 20 0 CCADLP CCOC(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000363449765 520777611 /nfs/dbraw/zinc/77/76/11/520777611.db2.gz MBCAKAKASVETQG-CQSZACIVSA-N 2 2 283.416 0.650 20 0 CCADLP CCOC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000363449765 520777618 /nfs/dbraw/zinc/77/76/18/520777618.db2.gz MBCAKAKASVETQG-CQSZACIVSA-N 2 2 283.416 0.650 20 0 CCADLP O=C(C[NH2+]CC1CC1)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424162119 534590498 /nfs/dbraw/zinc/59/04/98/534590498.db2.gz CBXOAIPKSFQNFR-JTQLQIEISA-N 2 2 261.316 0.347 20 0 CCADLP O=C(C[NH2+]CC1CC1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000423797691 534591217 /nfs/dbraw/zinc/59/12/17/534591217.db2.gz ICWGJOFOQJARLA-CYBMUJFWSA-N 2 2 274.368 0.776 20 0 CCADLP CN1CC[C@@H]([N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1=O ZINC000150756982 523963941 /nfs/dbraw/zinc/96/39/41/523963941.db2.gz LHPPWNQTQHNDTJ-CHWSQXEVSA-N 2 2 251.374 0.635 20 0 CCADLP CN1CC[C@@H]([N@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1=O ZINC000150756982 523963944 /nfs/dbraw/zinc/96/39/44/523963944.db2.gz LHPPWNQTQHNDTJ-CHWSQXEVSA-N 2 2 251.374 0.635 20 0 CCADLP Cc1nc(N2CCN(C(=O)N[C@@H](C)CC[NH3+])CC2)cc[nH+]1 ZINC000418565558 534754240 /nfs/dbraw/zinc/75/42/40/534754240.db2.gz VKBXKBUSFCPXOH-NSHDSACASA-N 2 2 292.387 0.354 20 0 CCADLP CC(=O)N1CC[NH+](CCNc2cc[nH+]cc2C)CC1 ZINC000346104596 534788544 /nfs/dbraw/zinc/78/85/44/534788544.db2.gz PYVMWSQFPUSGOO-UHFFFAOYSA-N 2 2 262.357 0.388 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)N1CCNC1=O ZINC000157136214 526750147 /nfs/dbraw/zinc/75/01/47/526750147.db2.gz RVYQOHCBKLSZRL-CYBMUJFWSA-N 2 2 294.399 0.489 20 0 CCADLP O=C(C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)N1CCNC1=O ZINC000157136214 526750151 /nfs/dbraw/zinc/75/01/51/526750151.db2.gz RVYQOHCBKLSZRL-CYBMUJFWSA-N 2 2 294.399 0.489 20 0 CCADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1cccc2c[nH]nc21 ZINC000666906811 545133195 /nfs/dbraw/zinc/13/31/95/545133195.db2.gz XZZVYZBRQSUMPS-ZDUSSCGKSA-N 2 2 259.357 0.556 20 0 CCADLP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000666913048 545133841 /nfs/dbraw/zinc/13/38/41/545133841.db2.gz BYBYEPZPVVZRLD-NEPJUHHUSA-N 2 2 276.384 0.973 20 0 CCADLP CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000666913048 545133842 /nfs/dbraw/zinc/13/38/42/545133842.db2.gz BYBYEPZPVVZRLD-NEPJUHHUSA-N 2 2 276.384 0.973 20 0 CCADLP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000666913048 545133843 /nfs/dbraw/zinc/13/38/43/545133843.db2.gz BYBYEPZPVVZRLD-NEPJUHHUSA-N 2 2 276.384 0.973 20 0 CCADLP CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000666913048 545133844 /nfs/dbraw/zinc/13/38/44/545133844.db2.gz BYBYEPZPVVZRLD-NEPJUHHUSA-N 2 2 276.384 0.973 20 0 CCADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H](OCCO)C2)n1C ZINC000667617183 545151461 /nfs/dbraw/zinc/15/14/61/545151461.db2.gz KHXYWFYVIYNKFJ-CYBMUJFWSA-N 2 2 253.346 0.702 20 0 CCADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H](OCCO)C2)n1C ZINC000667617183 545151462 /nfs/dbraw/zinc/15/14/62/545151462.db2.gz KHXYWFYVIYNKFJ-CYBMUJFWSA-N 2 2 253.346 0.702 20 0 CCADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)n1C ZINC000668041980 545162050 /nfs/dbraw/zinc/16/20/50/545162050.db2.gz FOPDOOVVDUCULI-CYZMBNFOSA-N 2 2 262.357 0.814 20 0 CCADLP Cc1[nH+]cc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)n1C ZINC000668041980 545162051 /nfs/dbraw/zinc/16/20/51/545162051.db2.gz FOPDOOVVDUCULI-CYZMBNFOSA-N 2 2 262.357 0.814 20 0 CCADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)n1C ZINC000668041981 545162236 /nfs/dbraw/zinc/16/22/36/545162236.db2.gz FOPDOOVVDUCULI-DRZSPHRISA-N 2 2 262.357 0.814 20 0 CCADLP Cc1[nH+]cc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)n1C ZINC000668041981 545162237 /nfs/dbraw/zinc/16/22/37/545162237.db2.gz FOPDOOVVDUCULI-DRZSPHRISA-N 2 2 262.357 0.814 20 0 CCADLP CC(=O)NCC[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000668275318 545170541 /nfs/dbraw/zinc/17/05/41/545170541.db2.gz XLLZHUVTZORUTK-UHFFFAOYSA-N 2 2 273.340 0.835 20 0 CCADLP CC(=O)NCC[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000668275318 545170542 /nfs/dbraw/zinc/17/05/42/545170542.db2.gz XLLZHUVTZORUTK-UHFFFAOYSA-N 2 2 273.340 0.835 20 0 CCADLP COCCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000668310186 545172460 /nfs/dbraw/zinc/17/24/60/545172460.db2.gz OQFKESQEBSIZCM-CHWSQXEVSA-N 2 2 294.399 0.560 20 0 CCADLP Cn1nnc2cc(C[N@H+](C)CC3C[NH+](C)C3)ccc21 ZINC000668540052 545180907 /nfs/dbraw/zinc/18/09/07/545180907.db2.gz VFXULOINLGZTGP-UHFFFAOYSA-N 2 2 259.357 0.962 20 0 CCADLP Cn1nnc2cc(C[N@@H+](C)CC3C[NH+](C)C3)ccc21 ZINC000668540052 545180908 /nfs/dbraw/zinc/18/09/08/545180908.db2.gz VFXULOINLGZTGP-UHFFFAOYSA-N 2 2 259.357 0.962 20 0 CCADLP C[C@H](CNC(=O)C1([NH+](C)C)CC1)CN1CC[NH+](C)CC1 ZINC000668684251 545187073 /nfs/dbraw/zinc/18/70/73/545187073.db2.gz FGMHZGJAOXZNRT-CYBMUJFWSA-N 2 2 282.432 0.080 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000668691013 545187666 /nfs/dbraw/zinc/18/76/66/545187666.db2.gz CCTOAJWIJPJTLF-GHMZBOCLSA-N 2 2 264.373 0.971 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000668691013 545187667 /nfs/dbraw/zinc/18/76/67/545187667.db2.gz CCTOAJWIJPJTLF-GHMZBOCLSA-N 2 2 264.373 0.971 20 0 CCADLP CCN(C)C(=O)[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000451307135 527762622 /nfs/dbraw/zinc/76/26/22/527762622.db2.gz ANDOPHQKKLOOPP-KBPBESRZSA-N 2 2 285.432 0.534 20 0 CCADLP CCN(C)C(=O)[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000451307135 527762626 /nfs/dbraw/zinc/76/26/26/527762626.db2.gz ANDOPHQKKLOOPP-KBPBESRZSA-N 2 2 285.432 0.534 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC000412874155 527792107 /nfs/dbraw/zinc/79/21/07/527792107.db2.gz IJTZCKTULMCGGC-CABCVRRESA-N 2 2 295.427 0.698 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2COCC[NH+]2CC2CCC2)C1 ZINC000412874155 527792113 /nfs/dbraw/zinc/79/21/13/527792113.db2.gz IJTZCKTULMCGGC-CABCVRRESA-N 2 2 295.427 0.698 20 0 CCADLP CC[NH+]1CC[C@@H](NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000412874155 527792116 /nfs/dbraw/zinc/79/21/16/527792116.db2.gz IJTZCKTULMCGGC-CABCVRRESA-N 2 2 295.427 0.698 20 0 CCADLP CC[NH+]1CC[C@@H](NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000412874155 527792120 /nfs/dbraw/zinc/79/21/20/527792120.db2.gz IJTZCKTULMCGGC-CABCVRRESA-N 2 2 295.427 0.698 20 0 CCADLP Cc1ccn2cc(CNC(=O)NC[C@H](C)[NH3+])[nH+]c2c1 ZINC000669402341 545206762 /nfs/dbraw/zinc/20/67/62/545206762.db2.gz XPIAGTQKTPEKND-JTQLQIEISA-N 2 2 261.329 0.789 20 0 CCADLP Cc1occc1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000669405027 545207385 /nfs/dbraw/zinc/20/73/85/545207385.db2.gz MHNJWDRICTXDAS-GFCCVEGCSA-N 2 2 266.345 0.372 20 0 CCADLP Cc1occc1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000669405027 545207386 /nfs/dbraw/zinc/20/73/86/545207386.db2.gz MHNJWDRICTXDAS-GFCCVEGCSA-N 2 2 266.345 0.372 20 0 CCADLP CC[NH2+]CCNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000418330545 528309282 /nfs/dbraw/zinc/30/92/82/528309282.db2.gz WBESIIABYKKQNP-UHFFFAOYSA-N 2 2 291.399 0.518 20 0 CCADLP CC[NH2+]CCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000418328606 528309605 /nfs/dbraw/zinc/30/96/05/528309605.db2.gz SVSHRWUEEUWDMS-UHFFFAOYSA-N 2 2 291.399 0.518 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCO1 ZINC000669689371 545218948 /nfs/dbraw/zinc/21/89/48/545218948.db2.gz KBDCREULYYXBBM-BZUAXINKSA-N 2 2 297.443 0.238 20 0 CCADLP Cc1cc([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)no1 ZINC000669705094 545219874 /nfs/dbraw/zinc/21/98/74/545219874.db2.gz RAEQJROQFWFRKN-NSHDSACASA-N 2 2 266.345 0.408 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@@H](C)CCC[NH3+] ZINC000423680505 528482446 /nfs/dbraw/zinc/48/24/46/528482446.db2.gz LIJCHUWBKLAQQZ-STQMWFEESA-N 2 2 271.405 0.731 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@@H](C)CCC[NH3+] ZINC000423680505 528482449 /nfs/dbraw/zinc/48/24/49/528482449.db2.gz LIJCHUWBKLAQQZ-STQMWFEESA-N 2 2 271.405 0.731 20 0 CCADLP CC(C)n1cncc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000424164935 528627062 /nfs/dbraw/zinc/62/70/62/528627062.db2.gz FGLYIWZOIZFHDN-ZDUSSCGKSA-N 2 2 252.362 0.620 20 0 CCADLP CC(C)n1cncc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000424164935 528627063 /nfs/dbraw/zinc/62/70/63/528627063.db2.gz FGLYIWZOIZFHDN-ZDUSSCGKSA-N 2 2 252.362 0.620 20 0 CCADLP O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000672154487 545263518 /nfs/dbraw/zinc/26/35/18/545263518.db2.gz MZSDXOWLYPCDGP-FZMZJTMJSA-N 2 2 274.368 0.941 20 0 CCADLP O=C(N[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000672154487 545263519 /nfs/dbraw/zinc/26/35/19/545263519.db2.gz MZSDXOWLYPCDGP-FZMZJTMJSA-N 2 2 274.368 0.941 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672158370 545264020 /nfs/dbraw/zinc/26/40/20/545264020.db2.gz XFOUHYUWVVTROJ-OLZOCXBDSA-N 2 2 292.383 0.282 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000418524776 529034836 /nfs/dbraw/zinc/03/48/36/529034836.db2.gz NYKZUHCGHPVEIX-UHFFFAOYSA-N 2 2 264.320 0.316 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)N[C@@H](C)C[NH+](C)C)CC2 ZINC000673186424 545281207 /nfs/dbraw/zinc/28/12/07/545281207.db2.gz ITZYVXKVQYVDOV-JTQLQIEISA-N 2 2 265.361 0.667 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](SC)C2)CC1 ZINC000451318115 529130763 /nfs/dbraw/zinc/13/07/63/529130763.db2.gz DXJKGRDFFIQDDO-CHWSQXEVSA-N 2 2 285.457 0.976 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](SC)C2)CC1 ZINC000451318115 529130764 /nfs/dbraw/zinc/13/07/64/529130764.db2.gz DXJKGRDFFIQDDO-CHWSQXEVSA-N 2 2 285.457 0.976 20 0 CCADLP C[NH+](C)CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000673669991 545290573 /nfs/dbraw/zinc/29/05/73/545290573.db2.gz XOEBXLPEAVSSBS-UHFFFAOYSA-N 2 2 250.346 0.683 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000423866150 529248266 /nfs/dbraw/zinc/24/82/66/529248266.db2.gz LCOYEDPMOGTIJC-AVGNSLFASA-N 2 2 293.415 0.609 20 0 CCADLP C[C@H]1C[C@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000674000694 545298372 /nfs/dbraw/zinc/29/83/72/545298372.db2.gz UATTXQDXHURAPM-WCQYABFASA-N 2 2 253.390 0.785 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@@H]2CCCOC2)CC1 ZINC000674301043 545303895 /nfs/dbraw/zinc/30/38/95/545303895.db2.gz LNOCVXRGKRISLO-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP CCCCCNC(=O)[C@@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000313754913 535063287 /nfs/dbraw/zinc/06/32/87/535063287.db2.gz GYCOQSLHIVUNBQ-CABCVRRESA-N 2 2 296.459 0.661 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357079350 535091359 /nfs/dbraw/zinc/09/13/59/535091359.db2.gz SDZMDDGVGBREPS-QWHCGFSZSA-N 2 2 274.430 0.741 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357079350 535091362 /nfs/dbraw/zinc/09/13/62/535091362.db2.gz SDZMDDGVGBREPS-QWHCGFSZSA-N 2 2 274.430 0.741 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000674878814 545316818 /nfs/dbraw/zinc/31/68/18/545316818.db2.gz MQVIFCGMXVDYJU-KGLIPLIRSA-N 3 2 268.449 0.552 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000674878814 545316819 /nfs/dbraw/zinc/31/68/19/545316819.db2.gz MQVIFCGMXVDYJU-KGLIPLIRSA-N 3 2 268.449 0.552 20 0 CCADLP CC(C)Cn1cc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cn1 ZINC000347170204 535349473 /nfs/dbraw/zinc/34/94/73/535349473.db2.gz NIADWLWVTGJHOZ-UHFFFAOYSA-N 2 2 293.415 0.403 20 0 CCADLP CC(C)Cn1cc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cn1 ZINC000347170204 535349475 /nfs/dbraw/zinc/34/94/75/535349475.db2.gz NIADWLWVTGJHOZ-UHFFFAOYSA-N 2 2 293.415 0.403 20 0 CCADLP COC[C@H](CC(C)C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000675782229 545331429 /nfs/dbraw/zinc/33/14/29/545331429.db2.gz OPMAARQCTMYRPL-ZDUSSCGKSA-N 2 2 271.405 0.411 20 0 CCADLP C[C@@H]1CC[N@H+](CC[NH2+]C2CCN(S(C)(=O)=O)CC2)C1 ZINC000675924864 545332651 /nfs/dbraw/zinc/33/26/51/545332651.db2.gz YNUJYIOCVGMKDJ-GFCCVEGCSA-N 2 2 289.445 0.342 20 0 CCADLP C[C@@H]1CC[N@@H+](CC[NH2+]C2CCN(S(C)(=O)=O)CC2)C1 ZINC000675924864 545332652 /nfs/dbraw/zinc/33/26/52/545332652.db2.gz YNUJYIOCVGMKDJ-GFCCVEGCSA-N 2 2 289.445 0.342 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676388051 545342839 /nfs/dbraw/zinc/34/28/39/545342839.db2.gz ISTRCTXFDMSYDI-ZNMIVQPWSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676388051 545342840 /nfs/dbraw/zinc/34/28/40/545342840.db2.gz ISTRCTXFDMSYDI-ZNMIVQPWSA-N 2 2 295.427 0.792 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000517254460 535592825 /nfs/dbraw/zinc/59/28/25/535592825.db2.gz PMZIIJFDZMNSCT-UHFFFAOYSA-N 2 2 280.372 0.143 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](OC)C2)CC1 ZINC000361374545 535637126 /nfs/dbraw/zinc/63/71/26/535637126.db2.gz XQVSPJCNQYBUQF-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](OC)C2)CC1 ZINC000361374545 535637131 /nfs/dbraw/zinc/63/71/31/535637131.db2.gz XQVSPJCNQYBUQF-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@H]1C[N@H+](C)CCO1 ZINC000676701495 545349567 /nfs/dbraw/zinc/34/95/67/545349567.db2.gz IALDZYZSGQSLFW-YNEHKIRRSA-N 2 2 292.383 0.281 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@H]1C[N@@H+](C)CCO1 ZINC000676701495 545349568 /nfs/dbraw/zinc/34/95/68/545349568.db2.gz IALDZYZSGQSLFW-YNEHKIRRSA-N 2 2 292.383 0.281 20 0 CCADLP CC[NH+]1CCN(CCC(=O)N2CC[N@H+](C)C[C@H]2C)CC1 ZINC000346218018 535679134 /nfs/dbraw/zinc/67/91/34/535679134.db2.gz INRVMOHMJUFDPG-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP CC[NH+]1CCN(CCC(=O)N2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000346218018 535679142 /nfs/dbraw/zinc/67/91/42/535679142.db2.gz INRVMOHMJUFDPG-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP CCN1CC[NH+](CCC(=O)N2CC[N@H+](C)C[C@H]2C)CC1 ZINC000346218018 535679146 /nfs/dbraw/zinc/67/91/46/535679146.db2.gz INRVMOHMJUFDPG-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP CCN1CC[NH+](CCC(=O)N2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000346218018 535679150 /nfs/dbraw/zinc/67/91/50/535679150.db2.gz INRVMOHMJUFDPG-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP CCC[C@H]1CN(CC[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC000347572245 535739413 /nfs/dbraw/zinc/73/94/13/535739413.db2.gz RVLFGTRCBYDALX-INIZCTEOSA-N 2 2 299.459 0.751 20 0 CCADLP CCC[C@H]1CN(CC[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC000347572245 535739419 /nfs/dbraw/zinc/73/94/19/535739419.db2.gz RVLFGTRCBYDALX-INIZCTEOSA-N 2 2 299.459 0.751 20 0 CCADLP Cn1cc[nH+]c1CN1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000677046863 545357074 /nfs/dbraw/zinc/35/70/74/545357074.db2.gz MIVBULASRVQNEC-CYBMUJFWSA-N 2 2 291.399 0.334 20 0 CCADLP Cn1cc[nH+]c1CN1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000677046863 545357075 /nfs/dbraw/zinc/35/70/75/545357075.db2.gz MIVBULASRVQNEC-CYBMUJFWSA-N 2 2 291.399 0.334 20 0 CCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263180855 535754572 /nfs/dbraw/zinc/75/45/72/535754572.db2.gz GTDALBIHXVBHSL-GHMZBOCLSA-N 2 2 275.343 0.784 20 0 CCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263180855 535754576 /nfs/dbraw/zinc/75/45/76/535754576.db2.gz GTDALBIHXVBHSL-GHMZBOCLSA-N 2 2 275.343 0.784 20 0 CCADLP C[NH+](C)CCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372370329 535884933 /nfs/dbraw/zinc/88/49/33/535884933.db2.gz QJXWDESHGHKYIH-CYBMUJFWSA-N 3 2 297.447 0.016 20 0 CCADLP C[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372370329 535884936 /nfs/dbraw/zinc/88/49/36/535884936.db2.gz QJXWDESHGHKYIH-CYBMUJFWSA-N 3 2 297.447 0.016 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C)C(=O)OC ZINC000251962174 535962131 /nfs/dbraw/zinc/96/21/31/535962131.db2.gz VTXQNHQLINKENB-SFTQSGBHSA-N 2 2 299.415 0.359 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C)C(=O)OC ZINC000251962174 535962133 /nfs/dbraw/zinc/96/21/33/535962133.db2.gz VTXQNHQLINKENB-SFTQSGBHSA-N 2 2 299.415 0.359 20 0 CCADLP CC[C@H](COC)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000361220590 536120916 /nfs/dbraw/zinc/12/09/16/536120916.db2.gz MYNWZCJJEPGRFX-VXGBXAGGSA-N 2 2 257.378 0.341 20 0 CCADLP CC[C@H](COC)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000361220590 536120918 /nfs/dbraw/zinc/12/09/18/536120918.db2.gz MYNWZCJJEPGRFX-VXGBXAGGSA-N 2 2 257.378 0.341 20 0 CCADLP CCc1nc(NC[C@@](C)(O)C[NH+]2CCOCC2)cc(C)[nH+]1 ZINC000514622731 536124244 /nfs/dbraw/zinc/12/42/44/536124244.db2.gz PZYRIEDDXGMGAV-OAHLLOKOSA-N 2 2 294.399 0.264 20 0 CCADLP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261584750 536163584 /nfs/dbraw/zinc/16/35/84/536163584.db2.gz SOSWRKUSHODUQZ-ZDEQEGDKSA-N 2 2 253.390 0.831 20 0 CCADLP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261584750 536163586 /nfs/dbraw/zinc/16/35/86/536163586.db2.gz SOSWRKUSHODUQZ-ZDEQEGDKSA-N 2 2 253.390 0.831 20 0 CCADLP C[C@@H]1CC[N@H+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)C[C@H]1F ZINC000679183149 545403385 /nfs/dbraw/zinc/40/33/85/545403385.db2.gz NYQSYSHLRXGKBZ-UTUOFQBUSA-N 2 2 285.363 0.355 20 0 CCADLP COC[C@@H]([NH3+])C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000263253816 536662882 /nfs/dbraw/zinc/66/28/82/536662882.db2.gz PUTVFMJHLJLIIW-CQSZACIVSA-N 2 2 288.351 0.521 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)CCCn1cc[nH+]c1 ZINC000680343838 545425880 /nfs/dbraw/zinc/42/58/80/545425880.db2.gz QYYRQKBZQJHOLY-UHFFFAOYSA-N 2 2 261.329 0.756 20 0 CCADLP CN(C)c1c[nH+]ccc1NC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000681363245 545451763 /nfs/dbraw/zinc/45/17/63/545451763.db2.gz PHUFYJAZAXPXNQ-NSHDSACASA-N 2 2 294.424 0.945 20 0 CCADLP CN(C)c1c[nH+]ccc1NC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000681363245 545451764 /nfs/dbraw/zinc/45/17/64/545451764.db2.gz PHUFYJAZAXPXNQ-NSHDSACASA-N 2 2 294.424 0.945 20 0 CCADLP CC(C)C1CC([NH2+]CC(=O)N2CC[NH+](C)CC2)C1 ZINC000683107617 545495616 /nfs/dbraw/zinc/49/56/16/545495616.db2.gz QBSUBQJGZGRFJW-UHFFFAOYSA-N 2 2 253.390 0.785 20 0 CCADLP C[C@H](C(=O)NC(C)(C)C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000683895060 545577971 /nfs/dbraw/zinc/57/79/71/545577971.db2.gz AXNWAVDLGUMWBW-LLVKDONJSA-N 2 2 279.388 0.835 20 0 CCADLP Cc1cn2c([nH+]1)CN(C[C@@H](O)C[N@@H+](C)C1CC1)CC2 ZINC000685572300 545838010 /nfs/dbraw/zinc/83/80/10/545838010.db2.gz MLYHFZHVJFLDNZ-ZDUSSCGKSA-N 2 2 264.373 0.462 20 0 CCADLP Cc1cn2c([nH+]1)CN(C[C@@H](O)C[N@H+](C)C1CC1)CC2 ZINC000685572300 545838013 /nfs/dbraw/zinc/83/80/13/545838013.db2.gz MLYHFZHVJFLDNZ-ZDUSSCGKSA-N 2 2 264.373 0.462 20 0 CCADLP CC[N@@H+](C[C@@H](O)C(F)(F)F)C[C@@H](O)C[NH+]1CCCC1 ZINC000778196104 581144935 /nfs/dbraw/zinc/14/49/35/581144935.db2.gz BVFOUFMAUYPPHQ-GHMZBOCLSA-N 2 2 284.322 0.688 20 0 CCADLP CC[N@H+](C[C@@H](O)C(F)(F)F)C[C@@H](O)C[NH+]1CCCC1 ZINC000778196104 581144936 /nfs/dbraw/zinc/14/49/36/581144936.db2.gz BVFOUFMAUYPPHQ-GHMZBOCLSA-N 2 2 284.322 0.688 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)N2CCC[NH+](C)CC2)CCO1 ZINC000726259039 581234615 /nfs/dbraw/zinc/23/46/15/581234615.db2.gz ZHGXZGWUIRDZIY-CYBMUJFWSA-N 2 2 284.404 0.054 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)N2CCC[NH+](C)CC2)CCO1 ZINC000726259039 581234616 /nfs/dbraw/zinc/23/46/16/581234616.db2.gz ZHGXZGWUIRDZIY-CYBMUJFWSA-N 2 2 284.404 0.054 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)N2CCC[N@H+](C)CC2)CCO1 ZINC000726259039 581234619 /nfs/dbraw/zinc/23/46/19/581234619.db2.gz ZHGXZGWUIRDZIY-CYBMUJFWSA-N 2 2 284.404 0.054 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)N2CCC[N@@H+](C)CC2)CCO1 ZINC000726259039 581234621 /nfs/dbraw/zinc/23/46/21/581234621.db2.gz ZHGXZGWUIRDZIY-CYBMUJFWSA-N 2 2 284.404 0.054 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)NCC[NH+]2CCCCC2)CCO1 ZINC000726261411 581235238 /nfs/dbraw/zinc/23/52/38/581235238.db2.gz RLEDCTUBCYBBEC-CQSZACIVSA-N 2 2 298.431 0.492 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC[NH+]2CCCCC2)CCO1 ZINC000726261411 581235239 /nfs/dbraw/zinc/23/52/39/581235239.db2.gz RLEDCTUBCYBBEC-CQSZACIVSA-N 2 2 298.431 0.492 20 0 CCADLP C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[N@@H+]1C ZINC000793574513 581303546 /nfs/dbraw/zinc/30/35/46/581303546.db2.gz RXVBIGIPWQGUFG-NSHDSACASA-N 2 2 250.346 0.515 20 0 CCADLP C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[N@H+]1C ZINC000793574513 581303548 /nfs/dbraw/zinc/30/35/48/581303548.db2.gz RXVBIGIPWQGUFG-NSHDSACASA-N 2 2 250.346 0.515 20 0 CCADLP CC[C@@H]1CC[N@@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000793820989 581314967 /nfs/dbraw/zinc/31/49/67/581314967.db2.gz NVHFDRSOPSEMIN-LLVKDONJSA-N 2 2 280.372 0.444 20 0 CCADLP CC[C@@H]1CC[N@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000793820989 581314969 /nfs/dbraw/zinc/31/49/69/581314969.db2.gz NVHFDRSOPSEMIN-LLVKDONJSA-N 2 2 280.372 0.444 20 0 CCADLP C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000796378538 581439379 /nfs/dbraw/zinc/43/93/79/581439379.db2.gz RMWWINLZQBKMFD-PMPSAXMXSA-N 2 2 297.443 0.238 20 0 CCADLP C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000796378538 581439382 /nfs/dbraw/zinc/43/93/82/581439382.db2.gz RMWWINLZQBKMFD-PMPSAXMXSA-N 2 2 297.443 0.238 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C[C@@H](O)C[NH+]1CCCC1 ZINC000796378538 581439384 /nfs/dbraw/zinc/43/93/84/581439384.db2.gz RMWWINLZQBKMFD-PMPSAXMXSA-N 2 2 297.443 0.238 20 0 CCADLP COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000786441369 581441122 /nfs/dbraw/zinc/44/11/22/581441122.db2.gz OUGAHGKPTGWSEE-XQLPTFJDSA-N 2 2 296.411 0.717 20 0 CCADLP COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000786441369 581441124 /nfs/dbraw/zinc/44/11/24/581441124.db2.gz OUGAHGKPTGWSEE-XQLPTFJDSA-N 2 2 296.411 0.717 20 0 CCADLP O[C@@H]1CCC[C@H]1[NH+]1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000796451109 581441215 /nfs/dbraw/zinc/44/12/15/581441215.db2.gz PTBBCXCRSOPTFF-CHWSQXEVSA-N 2 2 250.346 0.441 20 0 CCADLP O[C@@H]1CCC[C@H]1[NH+]1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000796451109 581441217 /nfs/dbraw/zinc/44/12/17/581441217.db2.gz PTBBCXCRSOPTFF-CHWSQXEVSA-N 2 2 250.346 0.441 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=S)NCCC[NH+](C)C ZINC000729162915 581555559 /nfs/dbraw/zinc/55/55/59/581555559.db2.gz YKEFVKYPGNTNEQ-GFCCVEGCSA-N 2 2 288.461 0.123 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=S)NCCC[NH+](C)C ZINC000729162915 581555563 /nfs/dbraw/zinc/55/55/63/581555563.db2.gz YKEFVKYPGNTNEQ-GFCCVEGCSA-N 2 2 288.461 0.123 20 0 CCADLP Cc1cnc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cn1 ZINC000734487892 581565661 /nfs/dbraw/zinc/56/56/61/581565661.db2.gz YPYFQDHSTZGCJP-INIZCTEOSA-N 2 2 289.427 0.997 20 0 CCADLP Cc1cnc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cn1 ZINC000734487892 581565663 /nfs/dbraw/zinc/56/56/63/581565663.db2.gz YPYFQDHSTZGCJP-INIZCTEOSA-N 2 2 289.427 0.997 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000729285847 581571933 /nfs/dbraw/zinc/57/19/33/581571933.db2.gz PMKAFZPYEVILGB-CYBMUJFWSA-N 2 2 285.351 0.835 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000729285847 581571934 /nfs/dbraw/zinc/57/19/34/581571934.db2.gz PMKAFZPYEVILGB-CYBMUJFWSA-N 2 2 285.351 0.835 20 0 CCADLP C[C@@H]1CC[N@H+](CCS(N)(=O)=O)C[C@@H]1n1cc[nH+]c1 ZINC000767436753 581613614 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CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000743272542 581805959 /nfs/dbraw/zinc/80/59/59/581805959.db2.gz XYQVKCKOIGIWRA-CABCVRRESA-N 2 2 297.443 0.776 20 0 CCADLP CCN(CC)C(=O)[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000743272542 581805961 /nfs/dbraw/zinc/80/59/61/581805961.db2.gz XYQVKCKOIGIWRA-CABCVRRESA-N 2 2 297.443 0.776 20 0 CCADLP NS(=O)(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000743851844 581827198 /nfs/dbraw/zinc/82/71/98/581827198.db2.gz SISIZWSYALEDBO-LBPRGKRZSA-N 2 2 275.418 0.083 20 0 CCADLP NS(=O)(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000743851844 581827200 /nfs/dbraw/zinc/82/72/00/581827200.db2.gz SISIZWSYALEDBO-LBPRGKRZSA-N 2 2 275.418 0.083 20 0 CCADLP CC(C)(CNC(=O)C[N@@H+]1CC[C@H]2C[C@H]21)[NH+]1CCOCC1 ZINC000761084701 581887470 /nfs/dbraw/zinc/88/74/70/581887470.db2.gz BBGXIKWIYUQPQT-QWHCGFSZSA-N 2 2 281.400 0.308 20 0 CCADLP CC(C)(CNC(=O)C[N@H+]1CC[C@H]2C[C@H]21)[NH+]1CCOCC1 ZINC000761084701 581887471 /nfs/dbraw/zinc/88/74/71/581887471.db2.gz BBGXIKWIYUQPQT-QWHCGFSZSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@@H]1C(=O)N([C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(=O)N1C ZINC000761302983 581904362 /nfs/dbraw/zinc/90/43/62/581904362.db2.gz MGALOPRUWHGBIP-YPMHNXCESA-N 2 2 294.399 0.437 20 0 CCADLP C[C@@H]1C(=O)N([C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(=O)N1C ZINC000761302983 581904365 /nfs/dbraw/zinc/90/43/65/581904365.db2.gz MGALOPRUWHGBIP-YPMHNXCESA-N 2 2 294.399 0.437 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)CC2CC2)CC[N@@H+]1C ZINC000773068541 581907788 /nfs/dbraw/zinc/90/77/88/581907788.db2.gz ZTMOCTFNZKRLLW-WCQYABFASA-N 2 2 274.430 0.884 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCS(=O)(=O)CC2CC2)CC[N@H+]1C ZINC000773068541 581907792 /nfs/dbraw/zinc/90/77/92/581907792.db2.gz ZTMOCTFNZKRLLW-WCQYABFASA-N 2 2 274.430 0.884 20 0 CCADLP C[S@@](=O)CC[NH+]1CCN(CC[NH+]2CCCCC2)CC1 ZINC000746467127 581915052 /nfs/dbraw/zinc/91/50/52/581915052.db2.gz KFMHLZJJNXZNIN-LJQANCHMSA-N 2 2 287.473 0.468 20 0 CCADLP C[C@@H](CNC(=O)CC[NH+]1CCOCC1)Cn1cc[nH+]c1 ZINC000747400361 581938967 /nfs/dbraw/zinc/93/89/67/581938967.db2.gz HVGXPEJQIWIVEL-ZDUSSCGKSA-N 2 2 280.372 0.358 20 0 CCADLP CCN1C(=O)CN(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1=O ZINC000738159218 582025857 /nfs/dbraw/zinc/02/58/57/582025857.db2.gz RCRZZGABZDWJCY-LBPRGKRZSA-N 2 2 291.355 0.762 20 0 CCADLP CCN1C(=O)CN(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1=O ZINC000738159218 582025858 /nfs/dbraw/zinc/02/58/58/582025858.db2.gz RCRZZGABZDWJCY-LBPRGKRZSA-N 2 2 291.355 0.762 20 0 CCADLP CO[C@H](C)CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000749972436 582028372 /nfs/dbraw/zinc/02/83/72/582028372.db2.gz CEBLDAHFJCKYTH-CYBMUJFWSA-N 2 2 285.432 0.896 20 0 CCADLP CO[C@H](C)CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000749972436 582028373 /nfs/dbraw/zinc/02/83/73/582028373.db2.gz CEBLDAHFJCKYTH-CYBMUJFWSA-N 2 2 285.432 0.896 20 0 CCADLP CC[N@H+](CC(=O)NC)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000750047709 582031614 /nfs/dbraw/zinc/03/16/14/582031614.db2.gz VCVQEKDIVIPZGL-UHFFFAOYSA-N 2 2 273.340 0.835 20 0 CCADLP CC[N@@H+](CC(=O)NC)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000750047709 582031616 /nfs/dbraw/zinc/03/16/16/582031616.db2.gz VCVQEKDIVIPZGL-UHFFFAOYSA-N 2 2 273.340 0.835 20 0 CCADLP C[C@H]1C[NH+]=C(N2CC[NH+](CCC(=O)N(C)C)CC2)S1 ZINC000750829827 582060092 /nfs/dbraw/zinc/06/00/92/582060092.db2.gz MKYCFSJTSPYTGT-NSHDSACASA-N 2 2 284.429 0.574 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000776956561 582093547 /nfs/dbraw/zinc/09/35/47/582093547.db2.gz NTPMTWXECGCAQM-FRRDWIJNSA-N 2 2 270.373 0.448 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000776956561 582093551 /nfs/dbraw/zinc/09/35/51/582093551.db2.gz NTPMTWXECGCAQM-FRRDWIJNSA-N 2 2 270.373 0.448 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC1CC2(C1)CC([NH2+]CCF)C2 ZINC000965281278 649930751 /nfs/dbraw/zinc/93/07/51/649930751.db2.gz NXOZAKLNTJABRT-UHFFFAOYSA-N 2 2 280.347 0.939 20 0 CCADLP CC(=O)OC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000894669353 614226020 /nfs/dbraw/zinc/22/60/20/614226020.db2.gz ZIFVJBLBNVTOAU-WCQYABFASA-N 2 2 258.362 0.374 20 0 CCADLP CC(=O)OC[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000894669353 614226021 /nfs/dbraw/zinc/22/60/21/614226021.db2.gz ZIFVJBLBNVTOAU-WCQYABFASA-N 2 2 258.362 0.374 20 0 CCADLP CC(C)N1CC[NH+](CCCC(=O)NCC[NH+]2CCC2)CC1 ZINC000901180812 614361162 /nfs/dbraw/zinc/36/11/62/614361162.db2.gz GTNKKJUQWIYEKA-UHFFFAOYSA-N 2 2 296.459 0.615 20 0 CCADLP COc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)nc1 ZINC000895571773 617257514 /nfs/dbraw/zinc/25/75/14/617257514.db2.gz OMNNSSVVQVCUCS-AWEZNQCLSA-N 2 2 292.383 0.520 20 0 CCADLP COc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)nc1 ZINC000895571773 617257515 /nfs/dbraw/zinc/25/75/15/617257515.db2.gz OMNNSSVVQVCUCS-AWEZNQCLSA-N 2 2 292.383 0.520 20 0 CCADLP COc1cccc([C@H]2CN(C(=O)C[NH+](C)C)CC[NH2+]2)c1 ZINC000870150965 617310431 /nfs/dbraw/zinc/31/04/31/617310431.db2.gz ZKMMIFBGYUILCL-CQSZACIVSA-N 2 2 277.368 0.730 20 0 CCADLP C/C=C/[C@@H](O)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000913664719 613188944 /nfs/dbraw/zinc/18/89/44/613188944.db2.gz OOOREMOJSDERQD-ITDFMYJTSA-N 2 2 290.367 0.709 20 0 CCADLP C/C=C\[C@H](O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000900693489 613210671 /nfs/dbraw/zinc/21/06/71/613210671.db2.gz UKSNJMMTVYMAEG-GXMNPTEKSA-N 2 2 283.416 0.408 20 0 CCADLP C/C=C\[C@H](O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000900693489 613210673 /nfs/dbraw/zinc/21/06/73/613210673.db2.gz UKSNJMMTVYMAEG-GXMNPTEKSA-N 2 2 283.416 0.408 20 0 CCADLP C1CC2(C1)[C@H]([NH2+][C@@H]1C[NH2+]CCOC1)[C@@H]1CCO[C@H]12 ZINC000925630482 613222463 /nfs/dbraw/zinc/22/24/63/613222463.db2.gz OZRWLVHCGBROLY-YVECIDJPSA-N 2 2 252.358 0.522 20 0 CCADLP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+]1CCC[NH2+]CC1 ZINC000903713672 613227518 /nfs/dbraw/zinc/22/75/18/613227518.db2.gz ZFDUDZCLKIDVOR-ZDUSSCGKSA-N 3 2 253.390 0.440 20 0 CCADLP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1CCC[NH2+]CC1 ZINC000903713672 613227520 /nfs/dbraw/zinc/22/75/20/613227520.db2.gz ZFDUDZCLKIDVOR-ZDUSSCGKSA-N 3 2 253.390 0.440 20 0 CCADLP C([NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)[C@@H]1C[NH2+]CCO1 ZINC000841100547 613230130 /nfs/dbraw/zinc/23/01/30/613230130.db2.gz HJINVSOARPPYSZ-QCNOEVLYSA-N 2 2 274.455 0.944 20 0 CCADLP C/C(=C/C(=O)NCC[C@H](C)[NH+](C)C)C[NH+]1CCOCC1 ZINC000912387842 613236779 /nfs/dbraw/zinc/23/67/79/613236779.db2.gz CFJZUCILNROZKS-FZDNWWAKSA-N 2 2 283.416 0.721 20 0 CCADLP C/C(=C\C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C)C[NH+]1CCOCC1 ZINC000907518976 613258479 /nfs/dbraw/zinc/25/84/79/613258479.db2.gz JXWUTCMJBXLCSW-MLOLEURXSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000904429216 613915167 /nfs/dbraw/zinc/91/51/67/613915167.db2.gz ZUMNBAGLCJIFLT-RYUDHWBXSA-N 2 2 291.461 0.750 20 0 CCADLP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000904429216 613915169 /nfs/dbraw/zinc/91/51/69/613915169.db2.gz ZUMNBAGLCJIFLT-RYUDHWBXSA-N 2 2 291.461 0.750 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H]2C[C@H]3COC[C@@H]3O2)CC1 ZINC000930614656 613939272 /nfs/dbraw/zinc/93/92/72/613939272.db2.gz DFIUQAUJOKDJCT-KKUMJFAQSA-N 2 2 298.427 0.615 20 0 CCADLP CC(C)(C)NC(=[NH2+])NCC1([NH+]2CCOCC2)CCOCC1 ZINC000849040054 613946562 /nfs/dbraw/zinc/94/65/62/613946562.db2.gz HQYBGUWBNJYKOW-UHFFFAOYSA-N 2 2 298.431 0.780 20 0 CCADLP CC(C)(C)[NH2+]CCC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000040805290 613953563 /nfs/dbraw/zinc/95/35/63/613953563.db2.gz KAMLQMIHGYHSIM-UHFFFAOYSA-N 2 2 285.432 0.992 20 0 CCADLP CC(C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC000939210166 613975503 /nfs/dbraw/zinc/97/55/03/613975503.db2.gz LRTNBERMTGMBPQ-CMPLNLGQSA-N 2 2 250.346 0.797 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C[C@](C)(O)C(F)F)C1 ZINC000905938036 614098270 /nfs/dbraw/zinc/09/82/70/614098270.db2.gz OCOQRCBNUJWUEP-AAEUAGOBSA-N 2 2 280.359 0.949 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C[C@](C)(O)C(F)F)C1 ZINC000905938036 614098271 /nfs/dbraw/zinc/09/82/71/614098271.db2.gz OCOQRCBNUJWUEP-AAEUAGOBSA-N 2 2 280.359 0.949 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@@](C)(O)C(F)F)C1 ZINC000905938038 614099685 /nfs/dbraw/zinc/09/96/85/614099685.db2.gz OCOQRCBNUJWUEP-DGCLKSJQSA-N 2 2 280.359 0.949 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@@](C)(O)C(F)F)C1 ZINC000905938038 614099686 /nfs/dbraw/zinc/09/96/86/614099686.db2.gz OCOQRCBNUJWUEP-DGCLKSJQSA-N 2 2 280.359 0.949 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC000840748933 614099740 /nfs/dbraw/zinc/09/97/40/614099740.db2.gz MEDAOEKMLTWIIW-ZIAGYGMSSA-N 2 2 256.390 0.704 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC000840748933 614099742 /nfs/dbraw/zinc/09/97/42/614099742.db2.gz MEDAOEKMLTWIIW-ZIAGYGMSSA-N 2 2 256.390 0.704 20 0 CCADLP CC(C)[C@@H](O)CC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000878292211 614144390 /nfs/dbraw/zinc/14/43/90/614144390.db2.gz GUFXKKOYEQTGER-GJZGRUSLSA-N 2 2 297.443 0.808 20 0 CCADLP CC(C)[C@@H](O)CC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000878292211 614144391 /nfs/dbraw/zinc/14/43/91/614144391.db2.gz GUFXKKOYEQTGER-GJZGRUSLSA-N 2 2 297.443 0.808 20 0 CCADLP CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000040770560 614192843 /nfs/dbraw/zinc/19/28/43/614192843.db2.gz QQVQKNFNWDSGRY-CABCVRRESA-N 2 2 298.475 0.748 20 0 CCADLP CC(C)[C@H](C(=O)O[C@H]1C[C@@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC000838904724 614194972 /nfs/dbraw/zinc/19/49/72/614194972.db2.gz QVHWDMLKIAKZOQ-HZSPNIEDSA-N 2 2 284.400 0.979 20 0 CCADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154014 614250686 /nfs/dbraw/zinc/25/06/86/614250686.db2.gz QNYHDEGYWWQPBF-MBNYWOFBSA-N 2 2 253.390 0.783 20 0 CCADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872154014 614250687 /nfs/dbraw/zinc/25/06/87/614250687.db2.gz QNYHDEGYWWQPBF-MBNYWOFBSA-N 2 2 253.390 0.783 20 0 CCADLP CC(C)[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000960530495 614261391 /nfs/dbraw/zinc/26/13/91/614261391.db2.gz XBLCINIRKVJMRX-UONOGXRCSA-N 2 2 283.416 0.648 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000960530495 614261392 /nfs/dbraw/zinc/26/13/92/614261392.db2.gz XBLCINIRKVJMRX-UONOGXRCSA-N 2 2 283.416 0.648 20 0 CCADLP CC(C)[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000960530495 614261394 /nfs/dbraw/zinc/26/13/94/614261394.db2.gz XBLCINIRKVJMRX-UONOGXRCSA-N 2 2 283.416 0.648 20 0 CCADLP CC(C)[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000960530495 614261395 /nfs/dbraw/zinc/26/13/95/614261395.db2.gz XBLCINIRKVJMRX-UONOGXRCSA-N 2 2 283.416 0.648 20 0 CCADLP CC(C)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[N@@H+]1C ZINC000913761581 614268854 /nfs/dbraw/zinc/26/88/54/614268854.db2.gz RGGGAOSGJBBFLJ-GFCCVEGCSA-N 2 2 250.346 0.751 20 0 CCADLP CC(C)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[N@H+]1C ZINC000913761581 614268855 /nfs/dbraw/zinc/26/88/55/614268855.db2.gz RGGGAOSGJBBFLJ-GFCCVEGCSA-N 2 2 250.346 0.751 20 0 CCADLP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980539523 614275611 /nfs/dbraw/zinc/27/56/11/614275611.db2.gz ROZYGGDCGWJSDU-GFCCVEGCSA-N 2 2 250.346 0.824 20 0 CCADLP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980539523 614275612 /nfs/dbraw/zinc/27/56/12/614275612.db2.gz ROZYGGDCGWJSDU-GFCCVEGCSA-N 2 2 250.346 0.824 20 0 CCADLP CCC[N@H+](C[C@@H](O)COC1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000923286929 614584704 /nfs/dbraw/zinc/58/47/04/614584704.db2.gz QUIBOEFVPVRTMB-ZIAGYGMSSA-N 2 2 286.416 0.617 20 0 CCADLP CCC[N@@H+](C[C@@H](O)COC1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000923286929 614584706 /nfs/dbraw/zinc/58/47/06/614584706.db2.gz QUIBOEFVPVRTMB-ZIAGYGMSSA-N 2 2 286.416 0.617 20 0 CCADLP CCC[NH+]1CC(N(CC)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000957413008 614593806 /nfs/dbraw/zinc/59/38/06/614593806.db2.gz CBDOQJKMWXZJFV-AWEZNQCLSA-N 2 2 283.416 0.650 20 0 CCADLP CCC[NH+]1CC(N(CC)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000957413008 614593809 /nfs/dbraw/zinc/59/38/09/614593809.db2.gz CBDOQJKMWXZJFV-AWEZNQCLSA-N 2 2 283.416 0.650 20 0 CCADLP CCN(C(=O)NCC[N@@H+]1CCOCC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000891505906 614599119 /nfs/dbraw/zinc/59/91/19/614599119.db2.gz BKADSHOLKRPKIU-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CCN(C(=O)NCC[N@H+]1CCOCC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000891505906 614599124 /nfs/dbraw/zinc/59/91/24/614599124.db2.gz BKADSHOLKRPKIU-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CC1(C)C[N@H+](C[C@H](O)COC[C@@H]2CCCO2)C[C@H]1[NH3+] ZINC000923432319 614673615 /nfs/dbraw/zinc/67/36/15/614673615.db2.gz KRZOZDGSAAKOQR-RWMBFGLXSA-N 2 2 272.389 0.212 20 0 CCADLP CC1(C)C[N@@H+](C[C@H](O)COC[C@@H]2CCCO2)C[C@H]1[NH3+] ZINC000923432319 614673617 /nfs/dbraw/zinc/67/36/17/614673617.db2.gz KRZOZDGSAAKOQR-RWMBFGLXSA-N 2 2 272.389 0.212 20 0 CCADLP CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1C[NH+](CCO)C1 ZINC000957279583 614674841 /nfs/dbraw/zinc/67/48/41/614674841.db2.gz YHYVYMXRKNGGLZ-UONOGXRCSA-N 2 2 297.443 0.632 20 0 CCADLP CC1(C)C[NH2+]CC[C@@H](NC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000872275598 614699848 /nfs/dbraw/zinc/69/98/48/614699848.db2.gz JRRDSXXNJQIUNF-RDFMZFSFSA-N 2 2 295.427 0.769 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000869286008 614708260 /nfs/dbraw/zinc/70/82/60/614708260.db2.gz YLZLXBAVDZORIN-RDFMZFSFSA-N 2 2 281.400 0.475 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000869286008 614708263 /nfs/dbraw/zinc/70/82/63/614708263.db2.gz YLZLXBAVDZORIN-RDFMZFSFSA-N 2 2 281.400 0.475 20 0 CCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000925708841 614808104 /nfs/dbraw/zinc/80/81/04/614808104.db2.gz OEZAWCOEGNUACM-YMAMQOFZSA-N 3 2 280.460 0.933 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000876753756 614844933 /nfs/dbraw/zinc/84/49/33/614844933.db2.gz NVSKVXTVXYCZOZ-VXGBXAGGSA-N 2 2 283.416 0.587 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000876753756 614844937 /nfs/dbraw/zinc/84/49/37/614844937.db2.gz NVSKVXTVXYCZOZ-VXGBXAGGSA-N 2 2 283.416 0.587 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886867600 614863357 /nfs/dbraw/zinc/86/33/57/614863357.db2.gz JDQSVUSUCWTUMZ-OAHLLOKOSA-N 2 2 296.415 0.688 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886867600 614863358 /nfs/dbraw/zinc/86/33/58/614863358.db2.gz JDQSVUSUCWTUMZ-OAHLLOKOSA-N 2 2 296.415 0.688 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC([C@@H]2COC(=O)N2)CC1 ZINC000932774172 614866532 /nfs/dbraw/zinc/86/65/32/614866532.db2.gz UMIIITOJEGSWOB-STQMWFEESA-N 2 2 285.388 0.119 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC([C@@H]2COC(=O)N2)CC1 ZINC000932774172 614866533 /nfs/dbraw/zinc/86/65/33/614866533.db2.gz UMIIITOJEGSWOB-STQMWFEESA-N 2 2 285.388 0.119 20 0 CCADLP CC1(C)[C@H]([NH2+][C@@H]2C[NH2+]CCOC2)[C@@H]2CCCO[C@@H]21 ZINC000925515411 614870057 /nfs/dbraw/zinc/87/00/57/614870057.db2.gz IBIBYVIQYUKXOU-XQHKEYJVSA-N 2 2 254.374 0.768 20 0 CCADLP CCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000970484183 614893891 /nfs/dbraw/zinc/89/38/91/614893891.db2.gz HJPYCQSWGCUILC-LLVKDONJSA-N 2 2 250.346 0.563 20 0 CCADLP CCC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000939862159 614916767 /nfs/dbraw/zinc/91/67/67/614916767.db2.gz XPAGMTWUJFUCQZ-RYUDHWBXSA-N 2 2 250.346 0.730 20 0 CCADLP CCN(CC)C(=O)C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000817891206 614978758 /nfs/dbraw/zinc/97/87/58/614978758.db2.gz HTRYPCGSWMSRDL-TZMCWYRMSA-N 2 2 269.389 0.211 20 0 CCADLP CCCC[NH+]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000950732638 614993108 /nfs/dbraw/zinc/99/31/08/614993108.db2.gz QEFJYXNXTASWCC-UHFFFAOYSA-N 2 2 250.346 0.897 20 0 CCADLP CC[NH+](CC)CCOC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000805468550 614997464 /nfs/dbraw/zinc/99/74/64/614997464.db2.gz HERGUQNHOUIXRR-LBPRGKRZSA-N 2 2 258.362 0.592 20 0 CCADLP CC[NH+](CC)CCOC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000805468550 614997465 /nfs/dbraw/zinc/99/74/65/614997465.db2.gz HERGUQNHOUIXRR-LBPRGKRZSA-N 2 2 258.362 0.592 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)[NH2+]C[C@H](O)c1ccccn1 ZINC000853111496 615001506 /nfs/dbraw/zinc/00/15/06/615001506.db2.gz WTFVMYORQAXZAP-HIFRSBDPSA-N 2 2 281.400 0.797 20 0 CCADLP CC[N@H+](CC[NH3+])C[C@H](O)COc1c(OC)cccc1OC ZINC000923402602 615047257 /nfs/dbraw/zinc/04/72/57/615047257.db2.gz ZLVXOLCIGMPZOI-LBPRGKRZSA-N 2 2 298.383 0.724 20 0 CCADLP CC[N@@H+](CC[NH3+])C[C@H](O)COc1c(OC)cccc1OC ZINC000923402602 615047259 /nfs/dbraw/zinc/04/72/59/615047259.db2.gz ZLVXOLCIGMPZOI-LBPRGKRZSA-N 2 2 298.383 0.724 20 0 CCADLP CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000969997751 615089042 /nfs/dbraw/zinc/08/90/42/615089042.db2.gz OWGMXJXYVUBUFG-VXGBXAGGSA-N 2 2 276.384 0.902 20 0 CCADLP CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000959938375 615089702 /nfs/dbraw/zinc/08/97/02/615089702.db2.gz POMYDLUXYORBCS-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000959938375 615089704 /nfs/dbraw/zinc/08/97/04/615089704.db2.gz POMYDLUXYORBCS-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000969124960 615119404 /nfs/dbraw/zinc/11/94/04/615119404.db2.gz QMIRHELRZAVQDG-VXGBXAGGSA-N 2 2 262.357 0.656 20 0 CCADLP CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CCO1 ZINC000979438884 615129458 /nfs/dbraw/zinc/12/94/58/615129458.db2.gz CVKLHECXVCTOAH-NEPJUHHUSA-N 2 2 294.399 0.913 20 0 CCADLP CC[N@@H+]1CCC[C@H](CNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000865048409 615135047 /nfs/dbraw/zinc/13/50/47/615135047.db2.gz SHOAKIXGRHWNMC-CSPWOOARSA-N 2 2 295.427 0.723 20 0 CCADLP CC[N@H+]1CCC[C@H](CNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000865048409 615135048 /nfs/dbraw/zinc/13/50/48/615135048.db2.gz SHOAKIXGRHWNMC-CSPWOOARSA-N 2 2 295.427 0.723 20 0 CCADLP CC[N@@H+]1CCN(C(=O)/C=C(\C)C[NH+]2CCOCC2)[C@@H](C)C1 ZINC000908136260 615147844 /nfs/dbraw/zinc/14/78/44/615147844.db2.gz BNFNMEVCYWWRMH-GOFCXVBSSA-N 2 2 295.427 0.818 20 0 CCADLP CC[N@H+]1CCN(C(=O)/C=C(\C)C[NH+]2CCOCC2)[C@@H](C)C1 ZINC000908136260 615147846 /nfs/dbraw/zinc/14/78/46/615147846.db2.gz BNFNMEVCYWWRMH-GOFCXVBSSA-N 2 2 295.427 0.818 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(C(C)=O)CC2)CC1 ZINC000846952884 615152253 /nfs/dbraw/zinc/15/22/53/615152253.db2.gz ISMANQOAJQSZCQ-ZDUSSCGKSA-N 2 2 295.427 0.840 20 0 CCADLP CCOC(=O)C[C@@H](O)C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880475893 615206158 /nfs/dbraw/zinc/20/61/58/615206158.db2.gz IYBZCIRJRQUEOR-CYBMUJFWSA-N 2 2 284.400 0.861 20 0 CCADLP CC[N@@H+]1CC[C@H](CNC(=O)CNc2cccc[nH+]2)C1 ZINC000900308050 615270910 /nfs/dbraw/zinc/27/09/10/615270910.db2.gz XGGWDAYNHSJDPU-GFCCVEGCSA-N 2 2 262.357 0.952 20 0 CCADLP CC[N@H+]1CC[C@H](CNC(=O)CNc2cccc[nH+]2)C1 ZINC000900308050 615270911 /nfs/dbraw/zinc/27/09/11/615270911.db2.gz XGGWDAYNHSJDPU-GFCCVEGCSA-N 2 2 262.357 0.952 20 0 CCADLP CCOCCOCC[N@@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000923413636 615274945 /nfs/dbraw/zinc/27/49/45/615274945.db2.gz WRLMLOPJKJXPMD-OLZOCXBDSA-N 2 2 260.378 0.478 20 0 CCADLP CCOCCOCC[N@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000923413636 615274946 /nfs/dbraw/zinc/27/49/46/615274946.db2.gz WRLMLOPJKJXPMD-OLZOCXBDSA-N 2 2 260.378 0.478 20 0 CCADLP CCOCC[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923530207 615298967 /nfs/dbraw/zinc/29/89/67/615298967.db2.gz HAGPNQRWJAXTKH-ZIAGYGMSSA-N 2 2 256.390 0.992 20 0 CCADLP CCOCC[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923530207 615298968 /nfs/dbraw/zinc/29/89/68/615298968.db2.gz HAGPNQRWJAXTKH-ZIAGYGMSSA-N 2 2 256.390 0.992 20 0 CCADLP CCOC[C@@H](O)C[N@H+](CC[NH3+])CCc1ccccc1 ZINC000923350321 615306661 /nfs/dbraw/zinc/30/66/61/615306661.db2.gz DCEYQYFIGPYJKQ-HNNXBMFYSA-N 2 2 266.385 0.887 20 0 CCADLP CCOC[C@@H](O)C[N@@H+](CC[NH3+])CCc1ccccc1 ZINC000923350321 615306662 /nfs/dbraw/zinc/30/66/62/615306662.db2.gz DCEYQYFIGPYJKQ-HNNXBMFYSA-N 2 2 266.385 0.887 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000883118008 615321530 /nfs/dbraw/zinc/32/15/30/615321530.db2.gz MTEDGSVFNUNKHK-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000883118008 615321533 /nfs/dbraw/zinc/32/15/33/615321533.db2.gz MTEDGSVFNUNKHK-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000882493769 615322948 /nfs/dbraw/zinc/32/29/48/615322948.db2.gz LNFIYJNJJMUWET-YPMHNXCESA-N 2 2 262.357 0.656 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000882493769 615322951 /nfs/dbraw/zinc/32/29/51/615322951.db2.gz LNFIYJNJJMUWET-YPMHNXCESA-N 2 2 262.357 0.656 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000882489284 615323854 /nfs/dbraw/zinc/32/38/54/615323854.db2.gz PWWBQPDXIQXRLF-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000882489284 615323857 /nfs/dbraw/zinc/32/38/57/615323857.db2.gz PWWBQPDXIQXRLF-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000882486961 615324127 /nfs/dbraw/zinc/32/41/27/615324127.db2.gz YQYUFQWAZZIUTP-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000882486961 615324130 /nfs/dbraw/zinc/32/41/30/615324130.db2.gz YQYUFQWAZZIUTP-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCc1cc(N)cc[nH+]1 ZINC000925768700 615327500 /nfs/dbraw/zinc/32/75/00/615327500.db2.gz VXARPNZNFUSQJQ-VXGBXAGGSA-N 2 2 264.329 0.047 20 0 CCADLP CCN1C[C@@H](C[N@@H+]2CC[C@H](C[NH+](C)C)C2)OC1=O ZINC000846809837 615344266 /nfs/dbraw/zinc/34/42/66/615344266.db2.gz WNOHXHLKPIYIHP-VXGBXAGGSA-N 2 2 255.362 0.711 20 0 CCADLP CCN1C[C@@H](C[N@H+]2CC[C@H](C[NH+](C)C)C2)OC1=O ZINC000846809837 615344267 /nfs/dbraw/zinc/34/42/67/615344267.db2.gz WNOHXHLKPIYIHP-VXGBXAGGSA-N 2 2 255.362 0.711 20 0 CCADLP CC[C@@H](C(=O)N(C)[C@@H]1CC[NH2+]C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911786798 615367255 /nfs/dbraw/zinc/36/72/55/615367255.db2.gz FBSNZTPSQHQMCQ-MCIONIFRSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@@H](C(=O)N(C)[C@@H]1CC[NH2+]C1)[N@H+]1CCO[C@H](CC)C1 ZINC000911786798 615367259 /nfs/dbraw/zinc/36/72/59/615367259.db2.gz FBSNZTPSQHQMCQ-MCIONIFRSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@@H](C(=O)N(C)[C@H]1CC[N@@H+]2CCO[C@H]1C2)[NH+](C)C ZINC000413848189 615367480 /nfs/dbraw/zinc/36/74/80/615367480.db2.gz VRODQNCVPDWDBZ-AVGNSLFASA-N 2 2 269.389 0.258 20 0 CCADLP CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C[C@@H]21 ZINC000932056305 615391241 /nfs/dbraw/zinc/39/12/41/615391241.db2.gz GSUBMTHGVAYVRX-APIJFGDWSA-N 2 2 298.427 0.819 20 0 CCADLP CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C[C@@H]21 ZINC000932056305 615391242 /nfs/dbraw/zinc/39/12/42/615391242.db2.gz GSUBMTHGVAYVRX-APIJFGDWSA-N 2 2 298.427 0.819 20 0 CCADLP CCOC(=O)[C@@H]1[C@@H]2CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C[C@@H]21 ZINC000932056305 615391244 /nfs/dbraw/zinc/39/12/44/615391244.db2.gz GSUBMTHGVAYVRX-APIJFGDWSA-N 2 2 298.427 0.819 20 0 CCADLP CCOC(=O)[C@@H]1[C@@H]2CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C[C@@H]21 ZINC000932056305 615391247 /nfs/dbraw/zinc/39/12/47/615391247.db2.gz GSUBMTHGVAYVRX-APIJFGDWSA-N 2 2 298.427 0.819 20 0 CCADLP CCO[C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C[NH+](C)C ZINC000831707784 615405572 /nfs/dbraw/zinc/40/55/72/615405572.db2.gz LZZVLFDOKNCIND-OLZOCXBDSA-N 2 2 282.388 0.917 20 0 CCADLP CCO[C@@H](CNC(=O)Cc1c[nH+]cn1C)C[NH+](C)C ZINC000831724104 615405856 /nfs/dbraw/zinc/40/58/56/615405856.db2.gz MKIWGUOZCMHJIE-LBPRGKRZSA-N 2 2 268.361 0.046 20 0 CCADLP CCO[C@@H](CNC(=O)NCCCn1cc[nH+]c1)C[NH+](C)C ZINC000913836192 615406740 /nfs/dbraw/zinc/40/67/40/615406740.db2.gz KSRDISSRUQZDLP-ZDUSSCGKSA-N 2 2 297.403 0.539 20 0 CCADLP CC[C@@H](C)[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC000930654116 615457529 /nfs/dbraw/zinc/45/75/29/615457529.db2.gz KLYYQJYOCZOONC-CQSZACIVSA-N 2 2 255.406 0.735 20 0 CCADLP CCO[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C[NH+](C)C ZINC000831707785 615480936 /nfs/dbraw/zinc/48/09/36/615480936.db2.gz LZZVLFDOKNCIND-QWHCGFSZSA-N 2 2 282.388 0.917 20 0 CCADLP CCO[C@H](CNC(=O)NCc1c[nH+]cn1C)C[NH+](C)C ZINC000922516047 615481950 /nfs/dbraw/zinc/48/19/50/615481950.db2.gz QEVLFDLDABNWBD-GFCCVEGCSA-N 2 2 283.376 0.186 20 0 CCADLP CCO[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C[NH+](C)C ZINC000831713803 615482963 /nfs/dbraw/zinc/48/29/63/615482963.db2.gz PKATWRQHKJXHBU-QWHCGFSZSA-N 2 2 294.399 0.528 20 0 CCADLP CCO[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C[NH+](C)C ZINC000925836728 615484391 /nfs/dbraw/zinc/48/43/91/615484391.db2.gz CJSYINCVWQCGKH-LVQVYYBASA-N 3 2 299.459 0.700 20 0 CCADLP CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925680708 615485247 /nfs/dbraw/zinc/48/52/47/615485247.db2.gz KXHNYBGDTWFYQK-UWVGGRQHSA-N 2 2 263.407 0.044 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CCSC ZINC000877434322 615568631 /nfs/dbraw/zinc/56/86/31/615568631.db2.gz PLEGBFHKJRYSJV-VXGBXAGGSA-N 2 2 289.445 0.294 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]([NH3+])CCSC ZINC000877434322 615568632 /nfs/dbraw/zinc/56/86/32/615568632.db2.gz PLEGBFHKJRYSJV-VXGBXAGGSA-N 2 2 289.445 0.294 20 0 CCADLP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CCF)C1)[NH+](C)C ZINC000898494964 615608048 /nfs/dbraw/zinc/60/80/48/615608048.db2.gz JCRMYJUMVJGMHH-VXGBXAGGSA-N 2 2 259.369 0.877 20 0 CCADLP CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](CCF)C1)[NH+](C)C ZINC000898494964 615608049 /nfs/dbraw/zinc/60/80/49/615608049.db2.gz JCRMYJUMVJGMHH-VXGBXAGGSA-N 2 2 259.369 0.877 20 0 CCADLP CCn1c[nH+]c2c1CCN(C[C@@H](O)C[N@H+](C)C1CC1)C2 ZINC000933256236 615629036 /nfs/dbraw/zinc/62/90/36/615629036.db2.gz XRRZQKPZRBWBJR-ZDUSSCGKSA-N 2 2 278.400 0.716 20 0 CCADLP CCn1c[nH+]c2c1CCN(C[C@@H](O)C[N@@H+](C)C1CC1)C2 ZINC000933256236 615629037 /nfs/dbraw/zinc/62/90/37/615629037.db2.gz XRRZQKPZRBWBJR-ZDUSSCGKSA-N 2 2 278.400 0.716 20 0 CCADLP CCn1nc(C)c(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])n1 ZINC000818615032 615665423 /nfs/dbraw/zinc/66/54/23/615665423.db2.gz KWLVTVVYVGDNFD-ADEWGFFLSA-N 2 2 267.377 0.448 20 0 CCADLP CCn1nc(C)c([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)n1 ZINC000924963818 615669653 /nfs/dbraw/zinc/66/96/53/615669653.db2.gz GTCRHJLCZSDZEW-STQMWFEESA-N 2 2 294.447 0.893 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000914392195 615717060 /nfs/dbraw/zinc/71/70/60/615717060.db2.gz VMSMGSXDLBFJGU-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000914392195 615717061 /nfs/dbraw/zinc/71/70/61/615717061.db2.gz VMSMGSXDLBFJGU-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)Nc1cc(C)[nH+]c(N)n1 ZINC000895799675 615720611 /nfs/dbraw/zinc/72/06/11/615720611.db2.gz SZCVIQZGKBVFPR-LLVKDONJSA-N 2 2 265.361 0.890 20 0 CCADLP CC[C@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1)OC ZINC000963025594 615721689 /nfs/dbraw/zinc/72/16/89/615721689.db2.gz XMRXDWVXKWAJIZ-CXTNEJHOSA-N 2 2 292.383 0.355 20 0 CCADLP CC[C@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1)OC ZINC000963025594 615721691 /nfs/dbraw/zinc/72/16/91/615721691.db2.gz XMRXDWVXKWAJIZ-CXTNEJHOSA-N 2 2 292.383 0.355 20 0 CCADLP CCc1nc(C[N@@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)no1 ZINC000903491805 615743265 /nfs/dbraw/zinc/74/32/65/615743265.db2.gz BEVRYMCJOMLOKQ-RBZYPMLTSA-N 2 2 294.355 0.344 20 0 CCADLP CCc1nc(C[N@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)no1 ZINC000903491805 615743267 /nfs/dbraw/zinc/74/32/67/615743267.db2.gz BEVRYMCJOMLOKQ-RBZYPMLTSA-N 2 2 294.355 0.344 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@H]1CCC=CO1 ZINC000854010860 615879140 /nfs/dbraw/zinc/87/91/40/615879140.db2.gz BQHIXZMPHXCQFT-CQSZACIVSA-N 2 2 298.431 0.862 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@H]1CCC=CO1 ZINC000854010860 615879141 /nfs/dbraw/zinc/87/91/41/615879141.db2.gz BQHIXZMPHXCQFT-CQSZACIVSA-N 2 2 298.431 0.862 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870953158 615879251 /nfs/dbraw/zinc/87/92/51/615879251.db2.gz NAUDYMJBFOGWGG-IPYPFGDCSA-N 3 2 282.432 0.114 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870953158 615879252 /nfs/dbraw/zinc/87/92/52/615879252.db2.gz NAUDYMJBFOGWGG-IPYPFGDCSA-N 3 2 282.432 0.114 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)OC[C@H]1CCCO1 ZINC000849428652 615879597 /nfs/dbraw/zinc/87/95/97/615879597.db2.gz COKQRXOOEYTZNO-CYBMUJFWSA-N 2 2 287.404 0.775 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)OC[C@H]1CCCO1 ZINC000849428652 615879600 /nfs/dbraw/zinc/87/96/00/615879600.db2.gz COKQRXOOEYTZNO-CYBMUJFWSA-N 2 2 287.404 0.775 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876961798 615879606 /nfs/dbraw/zinc/87/96/06/615879606.db2.gz XFBISOYNZYGPRH-STQMWFEESA-N 3 2 284.448 0.360 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876961798 615879607 /nfs/dbraw/zinc/87/96/07/615879607.db2.gz XFBISOYNZYGPRH-STQMWFEESA-N 3 2 284.448 0.360 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ncccn1 ZINC000855415554 615879768 /nfs/dbraw/zinc/87/97/68/615879768.db2.gz ZEDFDYHSTOEGOC-UHFFFAOYSA-N 2 2 265.361 0.090 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ncccn1 ZINC000855415554 615879770 /nfs/dbraw/zinc/87/97/70/615879770.db2.gz ZEDFDYHSTOEGOC-UHFFFAOYSA-N 2 2 265.361 0.090 20 0 CCADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000452621996 615881922 /nfs/dbraw/zinc/88/19/22/615881922.db2.gz LUGDCBVADCVAMH-XQQFMLRXSA-N 2 2 267.373 0.012 20 0 CCADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000452621996 615881924 /nfs/dbraw/zinc/88/19/24/615881924.db2.gz LUGDCBVADCVAMH-XQQFMLRXSA-N 2 2 267.373 0.012 20 0 CCADLP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+]2CCO[C@H]1C2 ZINC000452621996 615881926 /nfs/dbraw/zinc/88/19/26/615881926.db2.gz LUGDCBVADCVAMH-XQQFMLRXSA-N 2 2 267.373 0.012 20 0 CCADLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+]2CCO[C@H]1C2 ZINC000452621996 615881927 /nfs/dbraw/zinc/88/19/27/615881927.db2.gz LUGDCBVADCVAMH-XQQFMLRXSA-N 2 2 267.373 0.012 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000908442309 615908967 /nfs/dbraw/zinc/90/89/67/615908967.db2.gz DQONERSRVDLAHK-KBPBESRZSA-N 2 2 281.400 0.260 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000908442309 615908970 /nfs/dbraw/zinc/90/89/70/615908970.db2.gz DQONERSRVDLAHK-KBPBESRZSA-N 2 2 281.400 0.260 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000877435252 615925890 /nfs/dbraw/zinc/92/58/90/615925890.db2.gz ZOQZBLHHKINFKW-AGIUHOORSA-N 2 2 271.405 0.587 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000877435252 615925891 /nfs/dbraw/zinc/92/58/91/615925891.db2.gz ZOQZBLHHKINFKW-AGIUHOORSA-N 2 2 271.405 0.587 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000877435184 615926996 /nfs/dbraw/zinc/92/69/96/615926996.db2.gz YUFGQGDYIKJNKQ-XQQFMLRXSA-N 2 2 269.389 0.341 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000877435184 615926998 /nfs/dbraw/zinc/92/69/98/615926998.db2.gz YUFGQGDYIKJNKQ-XQQFMLRXSA-N 2 2 269.389 0.341 20 0 CCADLP Cn1c(Cl)ncc1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000848542657 615936283 /nfs/dbraw/zinc/93/62/83/615936283.db2.gz AGTZDTVULNIJHV-NSHDSACASA-N 2 2 260.769 0.476 20 0 CCADLP C[NH+](C)Cc1ccoc1C(=O)N1CC[NH+](CCCO)CC1 ZINC000949904344 615956495 /nfs/dbraw/zinc/95/64/95/615956495.db2.gz IQGDOCWQFFPVIS-UHFFFAOYSA-N 2 2 295.383 0.481 20 0 CCADLP C[NH+](C)[C@@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC000912601664 615983466 /nfs/dbraw/zinc/98/34/66/615983466.db2.gz RBWCYCIVSDHCNF-GHMZBOCLSA-N 2 2 262.357 0.941 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]21 ZINC000861911289 615997058 /nfs/dbraw/zinc/99/70/58/615997058.db2.gz PGADKZWCJIYRBO-YABSGUDNSA-N 2 2 270.336 0.966 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H](O)CCC3(O)CCC3)C[C@H]21 ZINC000931277722 615998270 /nfs/dbraw/zinc/99/82/70/615998270.db2.gz RWUYHLNXJOZDBG-IGQOVBAYSA-N 2 2 268.401 0.534 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)CCC3(O)CCC3)C[C@H]21 ZINC000931277722 615998273 /nfs/dbraw/zinc/99/82/73/615998273.db2.gz RWUYHLNXJOZDBG-IGQOVBAYSA-N 2 2 268.401 0.534 20 0 CCADLP CN(C)c1cc(NCCC[NH+]2CCC(O)CC2)nc[nH+]1 ZINC000891904151 616010164 /nfs/dbraw/zinc/01/01/64/616010164.db2.gz DMMHAJBFIUYRIQ-UHFFFAOYSA-N 2 2 279.388 0.801 20 0 CCADLP CN(C)c1cc(NCCC[NH+]2CCC(O)CC2)[nH+]cn1 ZINC000891904151 616010167 /nfs/dbraw/zinc/01/01/67/616010167.db2.gz DMMHAJBFIUYRIQ-UHFFFAOYSA-N 2 2 279.388 0.801 20 0 CCADLP CCn1ccc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)n1 ZINC000926171976 616033720 /nfs/dbraw/zinc/03/37/20/616033720.db2.gz BRDHDXJEWYRPKN-UHFFFAOYSA-N 2 2 280.376 0.448 20 0 CCADLP C[N@H+](CC(=O)N[C@@H]1CCn2c[nH+]cc21)[C@@H]1CCSC1 ZINC000857979899 616048880 /nfs/dbraw/zinc/04/88/80/616048880.db2.gz GOJZOUDJRYFNNA-GHMZBOCLSA-N 2 2 280.397 0.881 20 0 CCADLP C[N@@H+](CC(=O)N[C@@H]1CCn2c[nH+]cc21)[C@@H]1CCSC1 ZINC000857979899 616048881 /nfs/dbraw/zinc/04/88/81/616048881.db2.gz GOJZOUDJRYFNNA-GHMZBOCLSA-N 2 2 280.397 0.881 20 0 CCADLP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)C1([NH+](C)C)CC1 ZINC000829228404 616085571 /nfs/dbraw/zinc/08/55/71/616085571.db2.gz OIWGGUFRSOEYKR-UHFFFAOYSA-N 2 2 295.427 0.651 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876878230 616088953 /nfs/dbraw/zinc/08/89/53/616088953.db2.gz VXXINVNGUKYJSQ-NNTXTVRGSA-N 2 2 281.400 0.333 20 0 CCADLP Cn1cc(C[N@H+](C)C[C@H]2C[C@]3(CC[NH2+]C3)CO2)nn1 ZINC000903767398 616091233 /nfs/dbraw/zinc/09/12/33/616091233.db2.gz WMYBYVLYFYZEFX-OLZOCXBDSA-N 2 2 265.361 0.016 20 0 CCADLP Cn1cc(C[N@@H+](C)C[C@H]2C[C@]3(CC[NH2+]C3)CO2)nn1 ZINC000903767398 616091234 /nfs/dbraw/zinc/09/12/34/616091234.db2.gz WMYBYVLYFYZEFX-OLZOCXBDSA-N 2 2 265.361 0.016 20 0 CCADLP C[NH+](CCc1ccccc1)CC(=O)NC[C@H]1CC[N@H+]1C ZINC000928550136 616125562 /nfs/dbraw/zinc/12/55/62/616125562.db2.gz CGYOISHIWJHHRB-OAHLLOKOSA-N 2 2 275.396 0.981 20 0 CCADLP C[NH+]1CCC(C(=O)NC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000857296141 616166806 /nfs/dbraw/zinc/16/68/06/616166806.db2.gz QHGVKMFKPKQDQX-UHFFFAOYSA-N 2 2 283.416 0.555 20 0 CCADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCOC3(CCCC3)C2)CC1 ZINC000878198117 616173067 /nfs/dbraw/zinc/17/30/67/616173067.db2.gz SJJBWALFFDHZQH-UHFFFAOYSA-N 2 2 295.427 0.842 20 0 CCADLP C[NH+]1CCC(NC(=O)C[N@H+]2CCOC3(CCCC3)C2)CC1 ZINC000878198117 616173068 /nfs/dbraw/zinc/17/30/68/616173068.db2.gz SJJBWALFFDHZQH-UHFFFAOYSA-N 2 2 295.427 0.842 20 0 CCADLP C[NH+]1CCC(OCC(=O)NCCCn2cc[nH+]c2)CC1 ZINC000929155643 616175263 /nfs/dbraw/zinc/17/52/63/616175263.db2.gz CJIZJGOEEMXMFK-UHFFFAOYSA-N 2 2 280.372 0.500 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC000899057385 616180044 /nfs/dbraw/zinc/18/00/44/616180044.db2.gz DMYKMBAMNRFTSN-CYBMUJFWSA-N 2 2 297.399 0.036 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC000899057385 616180045 /nfs/dbraw/zinc/18/00/45/616180045.db2.gz DMYKMBAMNRFTSN-CYBMUJFWSA-N 2 2 297.399 0.036 20 0 CCADLP C[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899057385 616180046 /nfs/dbraw/zinc/18/00/46/616180046.db2.gz DMYKMBAMNRFTSN-CYBMUJFWSA-N 2 2 297.399 0.036 20 0 CCADLP C[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899057385 616180047 /nfs/dbraw/zinc/18/00/47/616180047.db2.gz DMYKMBAMNRFTSN-CYBMUJFWSA-N 2 2 297.399 0.036 20 0 CCADLP C[N@@H+]1CCC[C@@H](CNC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000865609567 616188043 /nfs/dbraw/zinc/18/80/43/616188043.db2.gz XVILYWMWCYPKDX-MFBWXBCUSA-N 2 2 281.400 0.333 20 0 CCADLP C[N@H+]1CCC[C@@H](CNC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000865609567 616188044 /nfs/dbraw/zinc/18/80/44/616188044.db2.gz XVILYWMWCYPKDX-MFBWXBCUSA-N 2 2 281.400 0.333 20 0 CCADLP CN(C(=O)N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCC[N@H+](C)C1 ZINC000894311041 616188727 /nfs/dbraw/zinc/18/87/27/616188727.db2.gz YGGZWMJPDYDREC-CHWSQXEVSA-N 2 2 291.399 0.934 20 0 CCADLP CN(C(=O)N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCC[N@@H+](C)C1 ZINC000894311041 616188728 /nfs/dbraw/zinc/18/87/28/616188728.db2.gz YGGZWMJPDYDREC-CHWSQXEVSA-N 2 2 291.399 0.934 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC000967925431 616192178 /nfs/dbraw/zinc/19/21/78/616192178.db2.gz POLLPMMCJDXAGO-GHMZBOCLSA-N 2 2 295.412 0.323 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC000967925431 616192179 /nfs/dbraw/zinc/19/21/79/616192179.db2.gz POLLPMMCJDXAGO-GHMZBOCLSA-N 2 2 295.412 0.323 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865809125 616195913 /nfs/dbraw/zinc/19/59/13/616195913.db2.gz KJMOPGRZUDAYGF-HSBHDXMMSA-N 2 2 267.373 0.085 20 0 CCADLP C[N@H+]1CCC[C@@H]1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865809125 616195914 /nfs/dbraw/zinc/19/59/14/616195914.db2.gz KJMOPGRZUDAYGF-HSBHDXMMSA-N 2 2 267.373 0.085 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923421822 616200816 /nfs/dbraw/zinc/20/08/16/616200816.db2.gz OSBBGJSHNKURLB-MGPQQGTHSA-N 3 2 265.401 0.533 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923421822 616200817 /nfs/dbraw/zinc/20/08/17/616200817.db2.gz OSBBGJSHNKURLB-MGPQQGTHSA-N 3 2 265.401 0.533 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923421822 616200818 /nfs/dbraw/zinc/20/08/18/616200818.db2.gz OSBBGJSHNKURLB-MGPQQGTHSA-N 3 2 265.401 0.533 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923421822 616200819 /nfs/dbraw/zinc/20/08/19/616200819.db2.gz OSBBGJSHNKURLB-MGPQQGTHSA-N 3 2 265.401 0.533 20 0 CCADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Cc1[nH]cc[nH+]1 ZINC000827898114 616204724 /nfs/dbraw/zinc/20/47/24/616204724.db2.gz FXTFFIWJLWISPS-NSHDSACASA-N 2 2 250.346 0.752 20 0 CCADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Cc1[nH]cc[nH+]1 ZINC000827898114 616204725 /nfs/dbraw/zinc/20/47/25/616204725.db2.gz FXTFFIWJLWISPS-NSHDSACASA-N 2 2 250.346 0.752 20 0 CCADLP CN1CCC[C@H]([N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)C1=O ZINC000879580778 616206707 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COC(=O)[C@](C)(Cn1cccn1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000903862746 616750309 /nfs/dbraw/zinc/75/03/09/616750309.db2.gz DMZJCHWHTZWULP-OCCSQVGLSA-N 2 2 280.372 0.404 20 0 CCADLP CO[C@H]1C[C@H](C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000925734585 616845840 /nfs/dbraw/zinc/84/58/40/616845840.db2.gz AXNBPTQCQIZEAK-ZRJCITRHSA-N 2 2 254.374 0.768 20 0 CCADLP COC(=O)NC1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000852765820 616859145 /nfs/dbraw/zinc/85/91/45/616859145.db2.gz VYWSXMYWJCRKIL-UHFFFAOYSA-N 2 2 266.345 0.783 20 0 CCADLP COCCC[N@H+](C)CC[NH2+]Cc1cc[nH]c(=O)c1 ZINC000921779777 616876416 /nfs/dbraw/zinc/87/64/16/616876416.db2.gz BEVPBZHWVDZWPE-UHFFFAOYSA-N 2 2 253.346 0.845 20 0 CCADLP COCCC[N@@H+](C)CC[NH2+]Cc1cc[nH]c(=O)c1 ZINC000921779777 616876418 /nfs/dbraw/zinc/87/64/18/616876418.db2.gz BEVPBZHWVDZWPE-UHFFFAOYSA-N 2 2 253.346 0.845 20 0 CCADLP C[NH2+]CC[N@H+](C[C@@H](O)COC1CCOCC1)C(C)C ZINC000923433751 616957131 /nfs/dbraw/zinc/95/71/31/616957131.db2.gz WNXLPYCZXIPPMA-CYBMUJFWSA-N 2 2 274.405 0.473 20 0 CCADLP C[NH2+]CC[N@@H+](C[C@@H](O)COC1CCOCC1)C(C)C ZINC000923433751 616957136 /nfs/dbraw/zinc/95/71/36/616957136.db2.gz WNXLPYCZXIPPMA-CYBMUJFWSA-N 2 2 274.405 0.473 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(n2cccn2)CC1 ZINC000846802064 616964755 /nfs/dbraw/zinc/96/47/55/616964755.db2.gz FKHFOVSUXPXEQZ-OAHLLOKOSA-N 2 2 296.415 0.459 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(n2cccn2)CC1 ZINC000846802064 616964759 /nfs/dbraw/zinc/96/47/59/616964759.db2.gz FKHFOVSUXPXEQZ-OAHLLOKOSA-N 2 2 296.415 0.459 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000923356496 616967570 /nfs/dbraw/zinc/96/75/70/616967570.db2.gz IXNVKTLSCBIVLW-CVEARBPZSA-N 3 2 299.459 0.247 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000923356496 616967572 /nfs/dbraw/zinc/96/75/72/616967572.db2.gz IXNVKTLSCBIVLW-CVEARBPZSA-N 3 2 299.459 0.247 20 0 CCADLP COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000897443838 616977769 /nfs/dbraw/zinc/97/77/69/616977769.db2.gz MCXJDCRQVQFUTB-NEPJUHHUSA-N 2 2 294.355 0.025 20 0 CCADLP COC(=O)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000897443838 616977775 /nfs/dbraw/zinc/97/77/75/616977775.db2.gz MCXJDCRQVQFUTB-NEPJUHHUSA-N 2 2 294.355 0.025 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886873878 617001350 /nfs/dbraw/zinc/00/13/50/617001350.db2.gz AAQQKEAAEYHBPH-UONOGXRCSA-N 3 2 255.406 0.422 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886873878 617001357 /nfs/dbraw/zinc/00/13/57/617001357.db2.gz AAQQKEAAEYHBPH-UONOGXRCSA-N 3 2 255.406 0.422 20 0 CCADLP CON(C)C(=O)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000895045637 617037880 /nfs/dbraw/zinc/03/78/80/617037880.db2.gz QAINPQPMNVCSAC-ZDUSSCGKSA-N 2 2 285.388 0.239 20 0 CCADLP CNc1cc(N2CC[N@H+](C)C[C@H](C(=O)OC)C2)nc[nH+]1 ZINC000894188710 617057122 /nfs/dbraw/zinc/05/71/22/617057122.db2.gz AQBQIOVUPDYKRC-JTQLQIEISA-N 2 2 279.344 0.059 20 0 CCADLP CNc1cc(N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)nc[nH+]1 ZINC000894188710 617057126 /nfs/dbraw/zinc/05/71/26/617057126.db2.gz AQBQIOVUPDYKRC-JTQLQIEISA-N 2 2 279.344 0.059 20 0 CCADLP CNc1cc(N2CCOC3(CC[NH+](C)CC3)C2)nc[nH+]1 ZINC000894358303 617058287 /nfs/dbraw/zinc/05/82/87/617058287.db2.gz DUSSPKQVKMJVIT-UHFFFAOYSA-N 2 2 277.372 0.819 20 0 CCADLP CNc1cc(N2CCOC3(CC[NH+](C)CC3)C2)[nH+]cn1 ZINC000894358303 617058289 /nfs/dbraw/zinc/05/82/89/617058289.db2.gz DUSSPKQVKMJVIT-UHFFFAOYSA-N 2 2 277.372 0.819 20 0 CCADLP CO[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)C(F)(F)F ZINC000863552950 617089111 /nfs/dbraw/zinc/08/91/11/617089111.db2.gz RKHIRGYIXFYBGD-NXEZZACHSA-N 2 2 270.295 0.610 20 0 CCADLP CON1CC[C@@H]([N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1=O ZINC000931684426 617093620 /nfs/dbraw/zinc/09/36/20/617093620.db2.gz RJGRBXUTWIASCB-TZMCWYRMSA-N 2 2 290.367 0.754 20 0 CCADLP CON1CC[C@@H]([N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1=O ZINC000931684426 617093621 /nfs/dbraw/zinc/09/36/21/617093621.db2.gz RJGRBXUTWIASCB-TZMCWYRMSA-N 2 2 290.367 0.754 20 0 CCADLP CON1CC[C@H]([N@H+](C)C[C@@H]2CCC[NH+](C)C2)C1=O ZINC000929702756 617097236 /nfs/dbraw/zinc/09/72/36/617097236.db2.gz PLQXPDLWVALTBY-NEPJUHHUSA-N 2 2 255.362 0.422 20 0 CCADLP CON1CC[C@H]([N@@H+](C)C[C@@H]2CCC[NH+](C)C2)C1=O ZINC000929702756 617097238 /nfs/dbraw/zinc/09/72/38/617097238.db2.gz PLQXPDLWVALTBY-NEPJUHHUSA-N 2 2 255.362 0.422 20 0 CCADLP CON1CC[C@H]([NH+](C)C[C@@H]2CCC[N@H+](C)C2)C1=O ZINC000929702756 617097240 /nfs/dbraw/zinc/09/72/40/617097240.db2.gz PLQXPDLWVALTBY-NEPJUHHUSA-N 2 2 255.362 0.422 20 0 CCADLP CON1CC[C@H]([NH+](C)C[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC000929702756 617097242 /nfs/dbraw/zinc/09/72/42/617097242.db2.gz PLQXPDLWVALTBY-NEPJUHHUSA-N 2 2 255.362 0.422 20 0 CCADLP CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC001027123288 625735004 /nfs/dbraw/zinc/73/50/04/625735004.db2.gz LQNKENLTFMCCRW-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP Cn1cc([C@H](O)C[NH2+][C@@H]2CC[NH2+]C23CCC3)cn1 ZINC000925514445 625341813 /nfs/dbraw/zinc/34/18/13/625341813.db2.gz FKPSOZZZZCNCBZ-VXGBXAGGSA-N 2 2 250.346 0.328 20 0 CCADLP C[C@H]([NH3+])[C@H]([NH2+]CCCN(C)S(C)(=O)=O)c1ccccc1 ZINC000925545083 625399303 /nfs/dbraw/zinc/39/93/03/625399303.db2.gz WWXMLUDVDYBESN-JSGCOSHPSA-N 2 2 299.440 0.946 20 0 CCADLP CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]12 ZINC001026432136 625447658 /nfs/dbraw/zinc/44/76/58/625447658.db2.gz OJYYPRJRFKZERR-JHJVBQTASA-N 2 2 262.357 0.730 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC1CCC([NH2+]C[C@H](C)O)CC1 ZINC001026598376 625478808 /nfs/dbraw/zinc/47/88/08/625478808.db2.gz DDLUZMKMWAGPFP-PKSQDBQZSA-N 2 2 294.399 0.658 20 0 CCADLP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C(=O)NCCF ZINC000925660618 625480673 /nfs/dbraw/zinc/48/06/73/625480673.db2.gz OSYZJIHHGWTRAR-NEJQNHLGSA-N 2 2 255.337 0.047 20 0 CCADLP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C(=O)NCCF ZINC000925660616 625480811 /nfs/dbraw/zinc/48/08/11/625480811.db2.gz OSYZJIHHGWTRAR-DCHHYWPUSA-N 2 2 255.337 0.047 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCCCO2)C1 ZINC001022889651 622836735 /nfs/dbraw/zinc/83/67/35/622836735.db2.gz TYGULUUKKVPMEB-FRRDWIJNSA-N 2 2 292.383 0.758 20 0 CCADLP Cc1cc(N[C@H](C)C[NH+]2CCOCC2)nc(N)[nH+]1 ZINC000052208431 622881764 /nfs/dbraw/zinc/88/17/64/622881764.db2.gz YFIRHXDDYBPUHW-SNVBAGLBSA-N 2 2 251.334 0.500 20 0 CCADLP C[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000972730277 623182906 /nfs/dbraw/zinc/18/29/06/623182906.db2.gz UTUPZSXOGDDYPX-NEPJUHHUSA-N 2 2 294.399 0.601 20 0 CCADLP C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000972730277 623182917 /nfs/dbraw/zinc/18/29/17/623182917.db2.gz UTUPZSXOGDDYPX-NEPJUHHUSA-N 2 2 294.399 0.601 20 0 CCADLP CC[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001024179894 623260213 /nfs/dbraw/zinc/26/02/13/623260213.db2.gz RHTCIWMJBLQBFZ-LLVKDONJSA-N 2 2 250.346 0.800 20 0 CCADLP COCC[C@@H]([NH3+])C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000052791693 623481821 /nfs/dbraw/zinc/48/18/21/623481821.db2.gz IKAHNTFEJDUYFK-VXGBXAGGSA-N 2 2 282.388 0.778 20 0 CCADLP [NH3+][C@H]1C[C@@H](CNC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000892565590 623546420 /nfs/dbraw/zinc/54/64/20/623546420.db2.gz UQCQMXSOJCJKKJ-BETUJISGSA-N 2 2 289.383 0.651 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)N(C)[C@@H]2CCC[NH+](C)C2)CCO1 ZINC000892596241 623573184 /nfs/dbraw/zinc/57/31/84/623573184.db2.gz ODJAEFKWABJVER-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)N(C)[C@@H]2CCC[NH+](C)C2)CCO1 ZINC000892596241 623573188 /nfs/dbraw/zinc/57/31/88/623573188.db2.gz ODJAEFKWABJVER-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)CCO1 ZINC000892596241 623573190 /nfs/dbraw/zinc/57/31/90/623573190.db2.gz ODJAEFKWABJVER-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)CCO1 ZINC000892596241 623573191 /nfs/dbraw/zinc/57/31/91/623573191.db2.gz ODJAEFKWABJVER-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001026929369 625663443 /nfs/dbraw/zinc/66/34/43/625663443.db2.gz QWUHRTGBGWJDOL-STQMWFEESA-N 2 2 276.384 0.904 20 0 CCADLP C(CN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C[NH+]1CCOCC1 ZINC000328570417 623887223 /nfs/dbraw/zinc/88/72/23/623887223.db2.gz RPBWEOWIOHZPMA-BTFPBAQTSA-N 2 2 265.401 0.295 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1C[NH+](CCCO)C1 ZINC000969887648 624553258 /nfs/dbraw/zinc/55/32/58/624553258.db2.gz KRNIVZQOLVANCX-RAIGVLPGSA-N 2 2 292.383 0.332 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+]Cc2ccccn2)C1 ZINC001020636598 624556614 /nfs/dbraw/zinc/55/66/14/624556614.db2.gz ACSTZTBRWDUDBY-JOCQHMNTSA-N 2 2 285.351 0.784 20 0 CCADLP O=c1cc(N2CC[C@H]([NH2+][C@H]3CC[NH2+]C34CCC4)C2)nc[nH]1 ZINC000902503494 634394705 /nfs/dbraw/zinc/39/47/05/634394705.db2.gz YCBNJMZIEQEZJL-RYUDHWBXSA-N 2 2 289.383 0.635 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+]C[C@H]2CCCCO2)C1 ZINC000970858125 624772967 /nfs/dbraw/zinc/77/29/67/624772967.db2.gz QDXVFYCZPUEMBG-ZIAGYGMSSA-N 2 2 292.383 0.643 20 0 CCADLP O=C(NCCCCn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891398295 624855627 /nfs/dbraw/zinc/85/56/27/624855627.db2.gz HOLRJFSCIKXSTO-RYUDHWBXSA-N 2 2 263.345 0.419 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001022302223 624917998 /nfs/dbraw/zinc/91/79/98/624917998.db2.gz GEKPWWFYYPNLQH-ZDEQEGDKSA-N 2 2 292.383 0.063 20 0 CCADLP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001022311157 624921603 /nfs/dbraw/zinc/92/16/03/624921603.db2.gz NJJXWJQYZJFQOL-SDDRHHMPSA-N 2 2 262.357 0.702 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C[C@H](C)O1 ZINC000933733278 624932750 /nfs/dbraw/zinc/93/27/50/624932750.db2.gz HDTVSKCEGCYNFD-XUWVNRHRSA-N 2 2 281.444 0.979 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C[C@H](C)O1 ZINC000933733278 624932752 /nfs/dbraw/zinc/93/27/52/624932752.db2.gz HDTVSKCEGCYNFD-XUWVNRHRSA-N 2 2 281.444 0.979 20 0 CCADLP C[C@@H]1CN(CC[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)C[C@H](C)O1 ZINC000933733278 624932753 /nfs/dbraw/zinc/93/27/53/624932753.db2.gz HDTVSKCEGCYNFD-XUWVNRHRSA-N 2 2 281.444 0.979 20 0 CCADLP C[C@@H]1CN(CC[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)C[C@H](C)O1 ZINC000933733278 624932755 /nfs/dbraw/zinc/93/27/55/624932755.db2.gz HDTVSKCEGCYNFD-XUWVNRHRSA-N 2 2 281.444 0.979 20 0 CCADLP [NH3+][C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000891818911 624936117 /nfs/dbraw/zinc/93/61/17/624936117.db2.gz NDVKRBPMBCCODL-GRYCIOLGSA-N 2 2 277.372 0.767 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000891896110 624987726 /nfs/dbraw/zinc/98/77/26/624987726.db2.gz SIOVAWALRCKZMP-ZIAGYGMSSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000891896110 624987754 /nfs/dbraw/zinc/98/77/54/624987754.db2.gz SIOVAWALRCKZMP-ZIAGYGMSSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000977646691 625954814 /nfs/dbraw/zinc/95/48/14/625954814.db2.gz MZMBPKZIZZDRDI-VXGBXAGGSA-N 2 2 280.372 0.091 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000977646691 625954825 /nfs/dbraw/zinc/95/48/25/625954825.db2.gz MZMBPKZIZZDRDI-VXGBXAGGSA-N 2 2 280.372 0.091 20 0 CCADLP [NH3+][C@H]1CCO[C@H](C2CC[NH+](C[C@H]3CCC[NH2+]3)CC2)C1 ZINC000903459984 634565405 /nfs/dbraw/zinc/56/54/05/634565405.db2.gz SVFMOSJVDADIKI-ZNMIVQPWSA-N 3 2 267.417 0.957 20 0 CCADLP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000903448631 634570540 /nfs/dbraw/zinc/57/05/40/634570540.db2.gz HJHQOWWTKOYQEH-MJBXVCDLSA-N 3 2 280.416 0.010 20 0 CCADLP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000903448631 634570547 /nfs/dbraw/zinc/57/05/47/634570547.db2.gz HJHQOWWTKOYQEH-MJBXVCDLSA-N 3 2 280.416 0.010 20 0 CCADLP C[C@H](CN1CCOCC1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903472729 634573740 /nfs/dbraw/zinc/57/37/40/634573740.db2.gz VPWHKTGMDQRMJC-CHWSQXEVSA-N 2 2 253.390 0.581 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000903479694 634576769 /nfs/dbraw/zinc/57/67/69/634576769.db2.gz WLUMUDYLDZJYNX-VOAKCMCISA-N 2 2 272.414 0.208 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000903479694 634576773 /nfs/dbraw/zinc/57/67/73/634576773.db2.gz WLUMUDYLDZJYNX-VOAKCMCISA-N 2 2 272.414 0.208 20 0 CCADLP [NH3+]CC12CCC(CC1)C[N@@H+]2C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903767593 634642712 /nfs/dbraw/zinc/64/27/12/634642712.db2.gz IOLDTEYQNDXGJI-LVDPKSTMSA-N 3 2 279.428 0.958 20 0 CCADLP [NH3+]CC12CCC(CC1)C[N@H+]2C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903767593 634642721 /nfs/dbraw/zinc/64/27/21/634642721.db2.gz IOLDTEYQNDXGJI-LVDPKSTMSA-N 3 2 279.428 0.958 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2[C@H]1CCN(C2CCOCC2)C1=O ZINC000903856500 634668005 /nfs/dbraw/zinc/66/80/05/634668005.db2.gz RGPVAPZNJCOADP-IVMMDQJWSA-N 2 2 293.411 0.580 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2[C@H]1CCN(C2CCOCC2)C1=O ZINC000903856500 634668010 /nfs/dbraw/zinc/66/80/10/634668010.db2.gz RGPVAPZNJCOADP-IVMMDQJWSA-N 2 2 293.411 0.580 20 0 CCADLP C[C@@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H](C)N1CC(F)(F)F ZINC000903875593 634675017 /nfs/dbraw/zinc/67/50/17/634675017.db2.gz RKBYLIBZTJKXCE-OSUNSFLBSA-N 2 2 295.349 0.794 20 0 CCADLP C[C@@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@H](C)N1CC(F)(F)F ZINC000903875593 634675022 /nfs/dbraw/zinc/67/50/22/634675022.db2.gz RKBYLIBZTJKXCE-OSUNSFLBSA-N 2 2 295.349 0.794 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cnn1C ZINC000903908142 634683155 /nfs/dbraw/zinc/68/31/55/634683155.db2.gz DKLQYALACOHBTJ-YUELXQCFSA-N 2 2 278.400 0.709 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cnn1C ZINC000903908142 634683160 /nfs/dbraw/zinc/68/31/60/634683160.db2.gz DKLQYALACOHBTJ-YUELXQCFSA-N 2 2 278.400 0.709 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cnn1C ZINC000903916288 634694668 /nfs/dbraw/zinc/69/46/68/634694668.db2.gz GPBZQYPAQCWLOJ-IIAWOOMASA-N 3 2 291.443 0.530 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cnn1C ZINC000903916288 634694670 /nfs/dbraw/zinc/69/46/70/634694670.db2.gz GPBZQYPAQCWLOJ-IIAWOOMASA-N 3 2 291.443 0.530 20 0 CCADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cnn1C ZINC000903916555 634694679 /nfs/dbraw/zinc/69/46/79/634694679.db2.gz HTBXASJJJCFFRG-GOEBONIOSA-N 3 2 291.443 0.531 20 0 CCADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cnn1C ZINC000903916555 634694680 /nfs/dbraw/zinc/69/46/80/634694680.db2.gz HTBXASJJJCFFRG-GOEBONIOSA-N 3 2 291.443 0.531 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@](F)(CO)C2)cnn1C ZINC000903918088 634695667 /nfs/dbraw/zinc/69/56/67/634695667.db2.gz RQMLRBWGADKLLY-TZMCWYRMSA-N 2 2 284.379 0.252 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@](F)(CO)C2)cnn1C ZINC000903918088 634695671 /nfs/dbraw/zinc/69/56/71/634695671.db2.gz RQMLRBWGADKLLY-TZMCWYRMSA-N 2 2 284.379 0.252 20 0 CCADLP C[C@@H]1CC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CCO1 ZINC000903987631 634703729 /nfs/dbraw/zinc/70/37/29/634703729.db2.gz IASPAWFACYJJDA-OLZOCXBDSA-N 2 2 279.388 0.813 20 0 CCADLP C[C@@H]1CC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CCO1 ZINC000903987631 634703733 /nfs/dbraw/zinc/70/37/33/634703733.db2.gz IASPAWFACYJJDA-OLZOCXBDSA-N 2 2 279.388 0.813 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH2+]CC3)o2)CC[NH2+]1 ZINC000904355264 634735029 /nfs/dbraw/zinc/73/50/29/634735029.db2.gz LYPGMGOEIGVCEL-STQMWFEESA-N 3 2 278.400 0.919 20 0 CCADLP C[C@@]1(C[N@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)CCC[NH2+]C1 ZINC000904464994 634748155 /nfs/dbraw/zinc/74/81/55/634748155.db2.gz XAIKVKWLLSHHLZ-FRRDWIJNSA-N 2 2 272.414 0.353 20 0 CCADLP C[C@@]1(C[N@@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)CCC[NH2+]C1 ZINC000904464994 634748160 /nfs/dbraw/zinc/74/81/60/634748160.db2.gz XAIKVKWLLSHHLZ-FRRDWIJNSA-N 2 2 272.414 0.353 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000905004135 634775828 /nfs/dbraw/zinc/77/58/28/634775828.db2.gz CBQPGKBSKZQZMT-WDEREUQCSA-N 2 2 265.361 0.650 20 0 CCADLP O[C@H](C[NH2+]CCc1cn2c([nH+]1)CCCC2)C1(O)CCC1 ZINC000905038789 634781966 /nfs/dbraw/zinc/78/19/66/634781966.db2.gz QYQJPQWFRFQNKY-CYBMUJFWSA-N 2 2 279.384 0.627 20 0 CCADLP O[C@H](C[NH2+]CCCNc1cccc[nH+]1)C1(O)CCOCC1 ZINC000905129230 634804913 /nfs/dbraw/zinc/80/49/13/634804913.db2.gz XZWJIGFMXIXBMH-CYBMUJFWSA-N 2 2 295.383 0.376 20 0 CCADLP CC[N@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027702299 630860205 /nfs/dbraw/zinc/86/02/05/630860205.db2.gz APPRSMQAPDPXDU-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP CC[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027702299 630860206 /nfs/dbraw/zinc/86/02/06/630860206.db2.gz APPRSMQAPDPXDU-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cn(C2CC2)c(=O)[nH]c1=O ZINC000925766858 630984826 /nfs/dbraw/zinc/98/48/26/630984826.db2.gz SOGKFYKYDGSEPO-WDEREUQCSA-N 2 2 264.329 0.253 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)C1 ZINC000893606154 631024878 /nfs/dbraw/zinc/02/48/78/631024878.db2.gz NOPYWCJABGZBMW-UPJWGTAASA-N 2 2 288.363 0.276 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)C1 ZINC000893606154 631024881 /nfs/dbraw/zinc/02/48/81/631024881.db2.gz NOPYWCJABGZBMW-UPJWGTAASA-N 2 2 288.363 0.276 20 0 CCADLP C[C@H](O)C[N@@H+]1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000981079525 631228767 /nfs/dbraw/zinc/22/87/67/631228767.db2.gz FAMRQVBCIAZLAW-LBPRGKRZSA-N 2 2 280.372 0.257 20 0 CCADLP C[C@H](O)C[N@H+]1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000981079525 631228772 /nfs/dbraw/zinc/22/87/72/631228772.db2.gz FAMRQVBCIAZLAW-LBPRGKRZSA-N 2 2 280.372 0.257 20 0 CCADLP Cc1oncc1C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001010382665 631369201 /nfs/dbraw/zinc/36/92/01/631369201.db2.gz MJVQTESIYFRLTG-UONOGXRCSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1oncc1C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001010382665 631369210 /nfs/dbraw/zinc/36/92/10/631369210.db2.gz MJVQTESIYFRLTG-UONOGXRCSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1oncc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010382665 631369222 /nfs/dbraw/zinc/36/92/22/631369222.db2.gz MJVQTESIYFRLTG-UONOGXRCSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1oncc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010382665 631369231 /nfs/dbraw/zinc/36/92/31/631369231.db2.gz MJVQTESIYFRLTG-UONOGXRCSA-N 2 2 292.383 0.768 20 0 CCADLP CC[C@@H]1COC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000924903922 631612322 /nfs/dbraw/zinc/61/23/22/631612322.db2.gz YCFMPPRDHXTSBO-QLFBSQMISA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@@H]1COC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000924903922 631612325 /nfs/dbraw/zinc/61/23/25/631612325.db2.gz YCFMPPRDHXTSBO-QLFBSQMISA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1nccn2c[nH+]cc12 ZINC000894233200 631616133 /nfs/dbraw/zinc/61/61/33/631616133.db2.gz OMQOELIXZYSZBM-VXGBXAGGSA-N 2 2 275.356 0.621 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1c1nccn2c[nH+]cc12 ZINC000894233200 631616135 /nfs/dbraw/zinc/61/61/35/631616135.db2.gz OMQOELIXZYSZBM-VXGBXAGGSA-N 2 2 275.356 0.621 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cn(C)cn1 ZINC000924965332 631681286 /nfs/dbraw/zinc/68/12/86/631681286.db2.gz NJBVSRAWFWKKNV-CHWSQXEVSA-N 2 2 293.415 0.658 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cn(C)cn1 ZINC000924965332 631681291 /nfs/dbraw/zinc/68/12/91/631681291.db2.gz NJBVSRAWFWKKNV-CHWSQXEVSA-N 2 2 293.415 0.658 20 0 CCADLP COC(=O)c1cn(C2CC[NH+](CC(C)(C)[NH3+])CC2)nn1 ZINC000261958657 631731433 /nfs/dbraw/zinc/73/14/33/631731433.db2.gz OXVADYOZUFBCAM-UHFFFAOYSA-N 2 2 281.360 0.439 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[N@@H+](CCF)CC[C@H]1C ZINC000968654923 650025755 /nfs/dbraw/zinc/02/57/55/650025755.db2.gz IDTLKHCTYAKYML-YPMHNXCESA-N 2 2 282.363 0.988 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[N@H+](CCF)CC[C@H]1C ZINC000968654923 650025756 /nfs/dbraw/zinc/02/57/56/650025756.db2.gz IDTLKHCTYAKYML-YPMHNXCESA-N 2 2 282.363 0.988 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889755878 631901989 /nfs/dbraw/zinc/90/19/89/631901989.db2.gz JLOCJEOTNYNLNF-UONOGXRCSA-N 2 2 292.383 0.020 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889755878 631901995 /nfs/dbraw/zinc/90/19/95/631901995.db2.gz JLOCJEOTNYNLNF-UONOGXRCSA-N 2 2 292.383 0.020 20 0 CCADLP C[C@@H]1CO[C@@H](C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000896325619 632224812 /nfs/dbraw/zinc/22/48/12/632224812.db2.gz QLTMOLHHTUCAPU-KCQAQPDRSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H]1CO[C@@H](C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000896325619 632224813 /nfs/dbraw/zinc/22/48/13/632224813.db2.gz QLTMOLHHTUCAPU-KCQAQPDRSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CN(C)CC[NH+]1C ZINC000896533237 632266814 /nfs/dbraw/zinc/26/68/14/632266814.db2.gz GRTIZDKLPHHEAM-AAVRWANBSA-N 2 2 282.432 0.077 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CN(C)CC[NH+]1C ZINC000896533237 632266816 /nfs/dbraw/zinc/26/68/16/632266816.db2.gz GRTIZDKLPHHEAM-AAVRWANBSA-N 2 2 282.432 0.077 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CN(C)CC[N@@H+]1C ZINC000896533237 632266823 /nfs/dbraw/zinc/26/68/23/632266823.db2.gz GRTIZDKLPHHEAM-AAVRWANBSA-N 2 2 282.432 0.077 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CN(C)CC[N@H+]1C ZINC000896533237 632266825 /nfs/dbraw/zinc/26/68/25/632266825.db2.gz GRTIZDKLPHHEAM-AAVRWANBSA-N 2 2 282.432 0.077 20 0 CCADLP CC(C)=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001006995226 650060857 /nfs/dbraw/zinc/06/08/57/650060857.db2.gz DKYHKXLIMLGILB-CABCVRRESA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001006995226 650060860 /nfs/dbraw/zinc/06/08/60/650060860.db2.gz DKYHKXLIMLGILB-CABCVRRESA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001006995226 650060862 /nfs/dbraw/zinc/06/08/62/650060862.db2.gz DKYHKXLIMLGILB-CABCVRRESA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001006995226 650060863 /nfs/dbraw/zinc/06/08/63/650060863.db2.gz DKYHKXLIMLGILB-CABCVRRESA-N 2 2 295.427 0.864 20 0 CCADLP Cc1[nH]c(CNC(=O)C2(C[NH+](C)C)CC2)[nH+]c1C ZINC000896910408 632359997 /nfs/dbraw/zinc/35/99/97/632359997.db2.gz OYQUWBIGPVWVSB-UHFFFAOYSA-N 2 2 250.346 0.985 20 0 CCADLP Cc1[nH]c(CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)[nH+]c1C ZINC000896912976 632361981 /nfs/dbraw/zinc/36/19/81/632361981.db2.gz JMDWGMFSTOALTB-GFCCVEGCSA-N 2 2 277.372 0.033 20 0 CCADLP O=C(N[C@@H]1CCC[N@@H+](CCF)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001007351985 650075221 /nfs/dbraw/zinc/07/52/21/650075221.db2.gz XPRXVAALGOWGIA-KGLIPLIRSA-N 2 2 283.391 0.878 20 0 CCADLP O=C(N[C@@H]1CCC[N@H+](CCF)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001007351985 650075223 /nfs/dbraw/zinc/07/52/23/650075223.db2.gz XPRXVAALGOWGIA-KGLIPLIRSA-N 2 2 283.391 0.878 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+])[NH+]1CCOCC1 ZINC000263037165 632797157 /nfs/dbraw/zinc/79/71/57/632797157.db2.gz SMICZTRPQSHUGS-NFAWXSAZSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]1CC[N@H+](CCNC(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000897432037 632879244 /nfs/dbraw/zinc/87/92/44/632879244.db2.gz DAVRYFFDNMIWDP-CQSZACIVSA-N 2 2 298.431 0.302 20 0 CCADLP C[C@@H]1CC[N@@H+](CCNC(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000897432037 632879246 /nfs/dbraw/zinc/87/92/46/632879246.db2.gz DAVRYFFDNMIWDP-CQSZACIVSA-N 2 2 298.431 0.302 20 0 CCADLP CC(C)[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000987612083 632885695 /nfs/dbraw/zinc/88/56/95/632885695.db2.gz SWRQRWOWUVVUFR-NWDGAFQWSA-N 2 2 250.346 0.871 20 0 CCADLP COc1cccnc1NCC[NH+]1CCC([NH3+])CC1 ZINC000322167871 633180568 /nfs/dbraw/zinc/18/05/68/633180568.db2.gz LDTSIANYQZQJFZ-UHFFFAOYSA-N 2 2 250.346 0.925 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCn1ccc(=O)[nH]c1=O ZINC000898334028 633306498 /nfs/dbraw/zinc/30/64/98/633306498.db2.gz ZPXFVYWGVARNDO-YPMHNXCESA-N 2 2 292.383 0.411 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCn1ccc(=O)[nH]c1=O ZINC000898334028 633306502 /nfs/dbraw/zinc/30/65/02/633306502.db2.gz ZPXFVYWGVARNDO-YPMHNXCESA-N 2 2 292.383 0.411 20 0 CCADLP CC(C)[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000989857244 633368046 /nfs/dbraw/zinc/36/80/46/633368046.db2.gz IWQCFBJELNDELB-RYUDHWBXSA-N 2 2 250.346 0.871 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC[C@H]1CNC(=O)C1 ZINC000926986655 633569994 /nfs/dbraw/zinc/56/99/94/633569994.db2.gz OCDLXJQVBISQME-NQBHXWOUSA-N 2 2 251.374 0.585 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC[C@H]1CNC(=O)C1 ZINC000926986655 633569999 /nfs/dbraw/zinc/56/99/99/633569999.db2.gz OCDLXJQVBISQME-NQBHXWOUSA-N 2 2 251.374 0.585 20 0 CCADLP [NH3+]C1(c2noc(CCCC[NH+]3CCOCC3)n2)CC1 ZINC000905320903 634842409 /nfs/dbraw/zinc/84/24/09/634842409.db2.gz AHVBSTMUAMHXIW-UHFFFAOYSA-N 2 2 266.345 0.672 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001009707620 650155857 /nfs/dbraw/zinc/15/58/57/650155857.db2.gz LISLDWAAFITNFP-QWHCGFSZSA-N 2 2 280.372 0.499 20 0 CCADLP CO[C@@H](C)C[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001009707620 650155859 /nfs/dbraw/zinc/15/58/59/650155859.db2.gz LISLDWAAFITNFP-QWHCGFSZSA-N 2 2 280.372 0.499 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[N@@H+](CCCF)C1 ZINC001009709895 650156051 /nfs/dbraw/zinc/15/60/51/650156051.db2.gz QTIYLIZBDCQJEA-LBPRGKRZSA-N 2 2 268.336 0.823 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[N@H+](CCCF)C1 ZINC001009709895 650156056 /nfs/dbraw/zinc/15/60/56/650156056.db2.gz QTIYLIZBDCQJEA-LBPRGKRZSA-N 2 2 268.336 0.823 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC1CC[NH+](C2CC2)CC1 ZINC000907784044 635207479 /nfs/dbraw/zinc/20/74/79/635207479.db2.gz QNWVEFZOOJTQKW-UHFFFAOYSA-N 2 2 262.357 0.943 20 0 CCADLP O=C(CNc1cccc[nH+]1)NCC[NH+]1CCC(O)CC1 ZINC000909273035 635563535 /nfs/dbraw/zinc/56/35/35/635563535.db2.gz NSJKREYPPMMONI-UHFFFAOYSA-N 2 2 278.356 0.066 20 0 CCADLP CC(C)=CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001010425671 650224212 /nfs/dbraw/zinc/22/42/12/650224212.db2.gz FECTUIVUMDBVCO-KBPBESRZSA-N 2 2 281.400 0.474 20 0 CCADLP CC(C)=CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001010425671 650224215 /nfs/dbraw/zinc/22/42/15/650224215.db2.gz FECTUIVUMDBVCO-KBPBESRZSA-N 2 2 281.400 0.474 20 0 CCADLP CC(C)=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001010425671 650224221 /nfs/dbraw/zinc/22/42/21/650224221.db2.gz FECTUIVUMDBVCO-KBPBESRZSA-N 2 2 281.400 0.474 20 0 CCADLP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001010425671 650224229 /nfs/dbraw/zinc/22/42/29/650224229.db2.gz FECTUIVUMDBVCO-KBPBESRZSA-N 2 2 281.400 0.474 20 0 CCADLP C[C@]1(NC(=O)CCc2c[nH]c[nH+]2)C[NH+]2CCC1CC2 ZINC000912376843 636565605 /nfs/dbraw/zinc/56/56/05/636565605.db2.gz KYPILPGYIBJZFI-AWEZNQCLSA-N 2 2 262.357 0.943 20 0 CCADLP C[C@]1(NC(=O)CCc2c[nH+]c[nH]2)C[NH+]2CCC1CC2 ZINC000912376843 636565620 /nfs/dbraw/zinc/56/56/20/636565620.db2.gz KYPILPGYIBJZFI-AWEZNQCLSA-N 2 2 262.357 0.943 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CCC([NH2+]CCF)CC1 ZINC000991902257 637168841 /nfs/dbraw/zinc/16/88/41/637168841.db2.gz STEBJIYMLZIMDQ-UHFFFAOYSA-N 2 2 268.336 0.892 20 0 CCADLP C[C@]1(C[NH+]2CCN(c3ncccn3)CC2)CCC[NH2+]C1 ZINC000062861717 637187521 /nfs/dbraw/zinc/18/75/21/637187521.db2.gz QMSZPBCNARUMHB-HNNXBMFYSA-N 2 2 275.400 0.988 20 0 CCADLP C[NH2+]CC1CC[NH+](CC(=O)Nc2cc(C)no2)CC1 ZINC000063165850 637204681 /nfs/dbraw/zinc/20/46/81/637204681.db2.gz OZKCKCZQFIUFTB-UHFFFAOYSA-N 2 2 266.345 0.853 20 0 CCADLP O=C(NC12CC[NH+](CC1)C2)[C@@H]1CCc2[nH+]ccn2C1 ZINC000913629111 637389811 /nfs/dbraw/zinc/38/98/11/637389811.db2.gz WWNAVFGRHMETDA-LLVKDONJSA-N 2 2 260.341 0.410 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000914083062 637506236 /nfs/dbraw/zinc/50/62/36/637506236.db2.gz NYDFSXMXZCGWEL-FRRDWIJNSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H]1C[N@H+](CCCO)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945809906 638795341 /nfs/dbraw/zinc/79/53/41/638795341.db2.gz WBKGAUGOXZUITB-OLZOCXBDSA-N 2 2 280.372 0.092 20 0 CCADLP C[C@@H]1C[N@@H+](CCCO)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945809906 638795344 /nfs/dbraw/zinc/79/53/44/638795344.db2.gz WBKGAUGOXZUITB-OLZOCXBDSA-N 2 2 280.372 0.092 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N1CCC([NH2+]CCO)CC1 ZINC000996715388 638829860 /nfs/dbraw/zinc/82/98/60/638829860.db2.gz IHAWXGQSBFJOFZ-UHFFFAOYSA-N 2 2 293.367 0.206 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N(C)C1CC([NH2+]CCO)C1 ZINC000998987989 638953509 /nfs/dbraw/zinc/95/35/09/638953509.db2.gz QESPVAULNZXRAJ-UHFFFAOYSA-N 2 2 293.367 0.204 20 0 CCADLP CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC([NH2+]CCF)C1 ZINC000999005006 638955113 /nfs/dbraw/zinc/95/51/13/638955113.db2.gz NCLAHTGERHESOJ-HIFPTAJRSA-N 2 2 294.374 0.994 20 0 CCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC([NH2+]CCO)C1 ZINC000999426707 638981133 /nfs/dbraw/zinc/98/11/33/638981133.db2.gz ZYYYSHCLOROCON-FIYWTHMPSA-N 2 2 292.383 0.095 20 0 CCADLP CC(C)[NH2+][C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001000545312 639117995 /nfs/dbraw/zinc/11/79/95/639117995.db2.gz LDLLLSBWVVOHLY-NSHDSACASA-N 2 2 250.346 0.941 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]([NH2+]CCF)C1 ZINC001000693939 639153841 /nfs/dbraw/zinc/15/38/41/639153841.db2.gz HNIYXSUPYBVVMM-NSHDSACASA-N 2 2 268.336 0.513 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]([NH2+]C[C@@H](C)O)C1 ZINC001000794738 639167940 /nfs/dbraw/zinc/16/79/40/639167940.db2.gz JGLNDONTRQSNCD-ZYHUDNBSSA-N 2 2 280.372 0.222 20 0 CCADLP O=C(NCC1=CC[N@H+](CCO)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001000805656 639169868 /nfs/dbraw/zinc/16/98/68/639169868.db2.gz NFPCVSQVRZWWJT-CHWSQXEVSA-N 2 2 290.367 0.254 20 0 CCADLP O=C(NCC1=CC[N@@H+](CCO)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001000805656 639169874 /nfs/dbraw/zinc/16/98/74/639169874.db2.gz NFPCVSQVRZWWJT-CHWSQXEVSA-N 2 2 290.367 0.254 20 0 CCADLP O=C(NCC1=CC[N@@H+](CCO)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001000805656 639169885 /nfs/dbraw/zinc/16/98/85/639169885.db2.gz NFPCVSQVRZWWJT-CHWSQXEVSA-N 2 2 290.367 0.254 20 0 CCADLP C[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001000821077 639175764 /nfs/dbraw/zinc/17/57/64/639175764.db2.gz XVQUIFDKOQPHEW-QWHCGFSZSA-N 2 2 294.399 0.314 20 0 CCADLP CO[C@H](C)C[NH+]1CCC(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001003970485 639657399 /nfs/dbraw/zinc/65/73/99/639657399.db2.gz HVRXSQBXWHIEKG-GFCCVEGCSA-N 2 2 294.399 0.578 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001004255159 639736115 /nfs/dbraw/zinc/73/61/15/639736115.db2.gz ZQTYWJDJNFODMW-ZDUSSCGKSA-N 2 2 292.383 0.500 20 0 CCADLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923322817 640084472 /nfs/dbraw/zinc/08/44/72/640084472.db2.gz OSQFCFHJLFZVMP-XUXIUFHCSA-N 3 2 264.373 0.679 20 0 CCADLP Cc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923322817 640084478 /nfs/dbraw/zinc/08/44/78/640084478.db2.gz OSQFCFHJLFZVMP-XUXIUFHCSA-N 3 2 264.373 0.679 20 0 CCADLP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ncco1 ZINC000886536392 640320053 /nfs/dbraw/zinc/32/00/53/640320053.db2.gz GUUWXHVDLCICST-LBPRGKRZSA-N 2 2 252.362 0.963 20 0 CCADLP O=C1CC[C@@H]([N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)C(=O)N1 ZINC000799119948 640544970 /nfs/dbraw/zinc/54/49/70/640544970.db2.gz HHKQRLVRLRTKEA-WDEREUQCSA-N 2 2 262.313 0.325 20 0 CCADLP O=C1CC[C@@H]([N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C(=O)N1 ZINC000799119948 640544976 /nfs/dbraw/zinc/54/49/76/640544976.db2.gz HHKQRLVRLRTKEA-WDEREUQCSA-N 2 2 262.313 0.325 20 0 CCADLP C[C@H]1CN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])CCO1 ZINC000818340990 641323058 /nfs/dbraw/zinc/32/30/58/641323058.db2.gz UOBOPNBPANRSOC-QJPTWQEYSA-N 2 2 255.362 0.093 20 0 CCADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824569318 641831966 /nfs/dbraw/zinc/83/19/66/641831966.db2.gz GXXCBTFXJSLCCL-GWCFXTLKSA-N 2 2 290.371 0.440 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccns3)C2)C1 ZINC001016251572 650705970 /nfs/dbraw/zinc/70/59/70/650705970.db2.gz WBDJIOJRXNZYBK-VXGBXAGGSA-N 2 2 294.424 0.785 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccns3)C2)C1 ZINC001016251572 650705971 /nfs/dbraw/zinc/70/59/71/650705971.db2.gz WBDJIOJRXNZYBK-VXGBXAGGSA-N 2 2 294.424 0.785 20 0 CCADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccns3)C2)C1 ZINC001016251572 650705972 /nfs/dbraw/zinc/70/59/72/650705972.db2.gz WBDJIOJRXNZYBK-VXGBXAGGSA-N 2 2 294.424 0.785 20 0 CCADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccns3)C2)C1 ZINC001016251572 650705973 /nfs/dbraw/zinc/70/59/73/650705973.db2.gz WBDJIOJRXNZYBK-VXGBXAGGSA-N 2 2 294.424 0.785 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000828591617 642107865 /nfs/dbraw/zinc/10/78/65/642107865.db2.gz MQUYRLUSZXHVOT-MNOVXSKESA-N 2 2 250.346 0.751 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000828591617 642107868 /nfs/dbraw/zinc/10/78/68/642107868.db2.gz MQUYRLUSZXHVOT-MNOVXSKESA-N 2 2 250.346 0.751 20 0 CCADLP O=C(N1CCC[C@@H]1C[NH+]1CCOCC1)[C@@]1(F)CC[NH2+]C1 ZINC000830629913 642278110 /nfs/dbraw/zinc/27/81/10/642278110.db2.gz BVWULIKLPIUNII-TZMCWYRMSA-N 2 2 285.363 0.011 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC23CC[NH+](CCF)CC3)C1 ZINC001016553431 650743926 /nfs/dbraw/zinc/74/39/26/650743926.db2.gz RBQATWBLRKKYAM-QWHCGFSZSA-N 2 2 299.390 0.257 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC23CC[NH+](CCF)CC3)C1 ZINC001016553431 650743930 /nfs/dbraw/zinc/74/39/30/650743930.db2.gz RBQATWBLRKKYAM-QWHCGFSZSA-N 2 2 299.390 0.257 20 0 CCADLP CC[NH+]1CCC2(C[C@H]2NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001016850694 650765859 /nfs/dbraw/zinc/76/58/59/650765859.db2.gz KXTVZZSHJDSMSP-GFCCVEGCSA-N 2 2 262.357 0.943 20 0 CCADLP C[C@H](O)C[NH+]1CCC2(C[C@H]2NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001016849829 650766180 /nfs/dbraw/zinc/76/61/80/650766180.db2.gz FUHGAKDBIXSIQC-WCQYABFASA-N 2 2 292.383 0.304 20 0 CCADLP CC[NH+]1CCC2(C[C@H]2NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001016903284 650770236 /nfs/dbraw/zinc/77/02/36/650770236.db2.gz YMTHXWHZQPGWBQ-LLVKDONJSA-N 2 2 262.357 0.943 20 0 CCADLP Cc1ccc(NC(=O)NC[C@H](C)[NH3+])c(N(C)C)[nH+]1 ZINC000841154144 642805925 /nfs/dbraw/zinc/80/59/25/642805925.db2.gz ANPAOINJDVIASV-QMMMGPOBSA-N 2 2 251.334 0.925 20 0 CCADLP O[C@H](C[NH2+]C[C@@H](O)c1ccccc1F)C[NH+]1CCCC1 ZINC000843062717 642983299 /nfs/dbraw/zinc/98/32/99/642983299.db2.gz RJMDUZUJCSIPCF-IUODEOHRSA-N 2 2 282.359 0.905 20 0 CCADLP Cc1ccc([C@@H](O)C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)o1 ZINC000843085200 642991209 /nfs/dbraw/zinc/99/12/09/642991209.db2.gz GNTFYUKKWVYYQL-OLZOCXBDSA-N 2 2 268.357 0.666 20 0 CCADLP Cc1ccc([C@@H](O)C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)o1 ZINC000843085200 642991216 /nfs/dbraw/zinc/99/12/16/642991216.db2.gz GNTFYUKKWVYYQL-OLZOCXBDSA-N 2 2 268.357 0.666 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+](C2CC2)C2CC[NH2+]CC2)CCO1 ZINC000843345412 643035789 /nfs/dbraw/zinc/03/57/89/643035789.db2.gz IGNSWRIWUXKTLM-GFCCVEGCSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+](C2CC2)C2CC[NH2+]CC2)CCO1 ZINC000843345412 643035795 /nfs/dbraw/zinc/03/57/95/643035795.db2.gz IGNSWRIWUXKTLM-GFCCVEGCSA-N 2 2 281.400 0.450 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000846164799 643384850 /nfs/dbraw/zinc/38/48/50/643384850.db2.gz IQVPFSURARKMOC-FZMZJTMJSA-N 2 2 277.372 0.691 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001018000639 650839105 /nfs/dbraw/zinc/83/91/05/650839105.db2.gz MHVSPBJMBVDRGM-RTXFEEFZSA-N 2 2 278.356 0.008 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001018000639 650839107 /nfs/dbraw/zinc/83/91/07/650839107.db2.gz MHVSPBJMBVDRGM-RTXFEEFZSA-N 2 2 278.356 0.008 20 0 CCADLP O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@H]1CCc2[nH+]ccn2C1 ZINC000848426456 643635950 /nfs/dbraw/zinc/63/59/50/643635950.db2.gz CPDQYGVPKXSUTP-UWVGGRQHSA-N 2 2 284.310 0.559 20 0 CCADLP O[C@@H](C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)C1CC1 ZINC000852010137 643914202 /nfs/dbraw/zinc/91/42/02/643914202.db2.gz UUCZHWAWRWCNDJ-CABCVRRESA-N 2 2 268.401 0.944 20 0 CCADLP O[C@@H](C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)C1CC1 ZINC000852010137 643914208 /nfs/dbraw/zinc/91/42/08/643914208.db2.gz UUCZHWAWRWCNDJ-CABCVRRESA-N 2 2 268.401 0.944 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2csnn2)C1 ZINC001018628794 650886652 /nfs/dbraw/zinc/88/66/52/650886652.db2.gz PVKHAAJTUPOWSE-JQWIXIFHSA-N 2 2 295.412 0.323 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2csnn2)C1 ZINC001018628794 650886654 /nfs/dbraw/zinc/88/66/54/650886654.db2.gz PVKHAAJTUPOWSE-JQWIXIFHSA-N 2 2 295.412 0.323 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NOC1CC[NH+](C)CC1 ZINC000854358549 644193142 /nfs/dbraw/zinc/19/31/42/644193142.db2.gz YMXGDWUSCPQBDV-SNVBAGLBSA-N 2 2 266.345 0.730 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NOC1CC[NH+](C)CC1 ZINC000854358549 644193144 /nfs/dbraw/zinc/19/31/44/644193144.db2.gz YMXGDWUSCPQBDV-SNVBAGLBSA-N 2 2 266.345 0.730 20 0 CCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1([NH+](C)C)CCC1 ZINC000855345448 644307319 /nfs/dbraw/zinc/30/73/19/644307319.db2.gz ANRKIMHBOYARSO-AWEZNQCLSA-N 3 2 298.475 0.859 20 0 CCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1([NH+](C)C)CCC1 ZINC000855345448 644307327 /nfs/dbraw/zinc/30/73/27/644307327.db2.gz ANRKIMHBOYARSO-AWEZNQCLSA-N 3 2 298.475 0.859 20 0 CCADLP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C1(C)C)N1CC[NH+](C)CC1 ZINC000925491029 644440402 /nfs/dbraw/zinc/44/04/02/644440402.db2.gz CYQYKPMCFNNJMH-QWHCGFSZSA-N 3 2 254.422 0.352 20 0 CCADLP O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CCn2cc[nH+]c2C1 ZINC000857847283 644565308 /nfs/dbraw/zinc/56/53/08/644565308.db2.gz MFCRMZSDNFSWBO-ZJUUUORDSA-N 2 2 284.310 0.559 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001019031479 650931993 /nfs/dbraw/zinc/93/19/93/650931993.db2.gz NCVASEIZHVLIHT-LBPRGKRZSA-N 2 2 263.341 0.843 20 0 CCADLP C[S@@](=O)CC[NH+]1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000858421353 644617816 /nfs/dbraw/zinc/61/78/16/644617816.db2.gz VWWPZPLUGSLPNN-LJQANCHMSA-N 2 2 283.397 0.074 20 0 CCADLP Cc1ccc(NC(=O)NCCOCCC[NH3+])c(N(C)C)[nH+]1 ZINC000859665656 644719011 /nfs/dbraw/zinc/71/90/11/644719011.db2.gz VJVGGCLGWUDZHF-UHFFFAOYSA-N 2 2 295.387 0.943 20 0 CCADLP Cc1ccc(NC(=O)N(C)CCOCC[NH3+])c(N(C)C)[nH+]1 ZINC000859664370 644719201 /nfs/dbraw/zinc/71/92/01/644719201.db2.gz DOEQIWYIFMIAIE-UHFFFAOYSA-N 2 2 295.387 0.895 20 0 CCADLP C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000861581182 644895320 /nfs/dbraw/zinc/89/53/20/644895320.db2.gz LKUXVGJZYMCIJA-STQMWFEESA-N 3 2 297.447 0.144 20 0 CCADLP C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000861581182 644895327 /nfs/dbraw/zinc/89/53/27/644895327.db2.gz LKUXVGJZYMCIJA-STQMWFEESA-N 3 2 297.447 0.144 20 0 CCADLP Cc1ccnn1CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000862171917 644981481 /nfs/dbraw/zinc/98/14/81/644981481.db2.gz NBXINAOQNNNBFX-UHFFFAOYSA-N 2 2 281.404 0.191 20 0 CCADLP Cc1ccnn1CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000862171917 644981482 /nfs/dbraw/zinc/98/14/82/644981482.db2.gz NBXINAOQNNNBFX-UHFFFAOYSA-N 2 2 281.404 0.191 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH2+]Cc3cnon3)C2)C1 ZINC001019382426 650967954 /nfs/dbraw/zinc/96/79/54/650967954.db2.gz ATISLHFFUVYCES-NEPJUHHUSA-N 2 2 293.371 0.102 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]Cc3cnon3)C2)C1 ZINC001019382426 650967956 /nfs/dbraw/zinc/96/79/56/650967956.db2.gz ATISLHFFUVYCES-NEPJUHHUSA-N 2 2 293.371 0.102 20 0 CCADLP CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cnsn2)C1)[NH+](C)C ZINC001019395077 650968689 /nfs/dbraw/zinc/96/86/89/650968689.db2.gz ZUWZDHCSZHWIOM-JQWIXIFHSA-N 2 2 297.428 0.569 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC001019565787 650988867 /nfs/dbraw/zinc/98/88/67/650988867.db2.gz BHYZGXSYSIXKDE-STQMWFEESA-N 2 2 292.383 0.712 20 0 CCADLP C[C@H]1C[C@H]1NC(=[NH2+])NCC1([NH+]2CCOCC2)CCOCC1 ZINC000864467079 645232746 /nfs/dbraw/zinc/23/27/46/645232746.db2.gz SIQWLXUDAPFYLX-QWHCGFSZSA-N 2 2 296.415 0.390 20 0 CCADLP CC(C)[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001019655692 650996452 /nfs/dbraw/zinc/99/64/52/650996452.db2.gz WLPXBZIBHUNWAV-NSHDSACASA-N 2 2 250.346 0.562 20 0 CCADLP C[C@@H]1CCC[N@H+](CCNC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000864879341 645297934 /nfs/dbraw/zinc/29/79/34/645297934.db2.gz IXTGAFYKLDCKIY-UYWPIULCSA-N 2 2 295.427 0.723 20 0 CCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000864879341 645297943 /nfs/dbraw/zinc/29/79/43/645297943.db2.gz IXTGAFYKLDCKIY-UYWPIULCSA-N 2 2 295.427 0.723 20 0 CCADLP O=C([C@H](O)c1c[nH+]c[nH]1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000865059072 645317101 /nfs/dbraw/zinc/31/71/01/645317101.db2.gz QQYBHLWJOXRSJJ-DGCLKSJQSA-N 2 2 278.356 0.530 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000865344980 645357924 /nfs/dbraw/zinc/35/79/24/645357924.db2.gz UJXBMGPVBZQAHA-QWHCGFSZSA-N 2 2 277.372 0.809 20 0 CCADLP Cc1[nH+]ccn1CC[NH2+]Cc1cn(C[C@H]2CCCO2)nn1 ZINC000865439303 645366118 /nfs/dbraw/zinc/36/61/18/645366118.db2.gz SBHIHAGHAKMJDC-CQSZACIVSA-N 2 2 290.371 0.752 20 0 CCADLP O=c1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c[nH]1 ZINC000865451291 645368389 /nfs/dbraw/zinc/36/83/89/645368389.db2.gz XKZJCAPIYAHGHE-QWHCGFSZSA-N 2 2 263.341 0.740 20 0 CCADLP O=c1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c[nH]1 ZINC000865451291 645368394 /nfs/dbraw/zinc/36/83/94/645368394.db2.gz XKZJCAPIYAHGHE-QWHCGFSZSA-N 2 2 263.341 0.740 20 0 CCADLP CC1(C)CCC[N@@H+]1CCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868809487 645816423 /nfs/dbraw/zinc/81/64/23/645816423.db2.gz XZHURMVGFXTTDG-HWKANZROSA-N 2 2 295.427 0.865 20 0 CCADLP CC1(C)CCC[N@H+]1CCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868809487 645816427 /nfs/dbraw/zinc/81/64/27/645816427.db2.gz XZHURMVGFXTTDG-HWKANZROSA-N 2 2 295.427 0.865 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869776365 645925072 /nfs/dbraw/zinc/92/50/72/645925072.db2.gz FFFMQOKLCPVXCQ-RYUDHWBXSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000869776365 645925075 /nfs/dbraw/zinc/92/50/75/645925075.db2.gz FFFMQOKLCPVXCQ-RYUDHWBXSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869776365 645925079 /nfs/dbraw/zinc/92/50/79/645925079.db2.gz FFFMQOKLCPVXCQ-RYUDHWBXSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000869776365 645925084 /nfs/dbraw/zinc/92/50/84/645925084.db2.gz FFFMQOKLCPVXCQ-RYUDHWBXSA-N 2 2 294.399 0.550 20 0 CCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCO)C1)C2 ZINC001020316031 651058765 /nfs/dbraw/zinc/05/87/65/651058765.db2.gz GAZRVIJQVKWOMC-SRVKXCTJSA-N 2 2 292.383 0.052 20 0 CCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCO)C1)CC2 ZINC001020316031 651058767 /nfs/dbraw/zinc/05/87/67/651058767.db2.gz GAZRVIJQVKWOMC-SRVKXCTJSA-N 2 2 292.383 0.052 20 0 CCADLP [NH3+][C@H](C(=O)NC[C@@H]1C[C@H]([NH3+])C1)c1c(F)cccc1F ZINC000870964403 646063630 /nfs/dbraw/zinc/06/36/30/646063630.db2.gz BRWNTANUHIKKNC-SXMVTHIZSA-N 2 2 269.295 0.818 20 0 CCADLP [NH3+]CC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC000872146181 646211944 /nfs/dbraw/zinc/21/19/44/646211944.db2.gz HOCRDOAQLMYZTK-UPJWGTAASA-N 2 2 269.389 0.077 20 0 CCADLP [NH3+]CC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC000872146181 646211950 /nfs/dbraw/zinc/21/19/50/646211950.db2.gz HOCRDOAQLMYZTK-UPJWGTAASA-N 2 2 269.389 0.077 20 0 CCADLP C[C@@H]1CO[C@@H](CO)C[N@@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873206796 646355910 /nfs/dbraw/zinc/35/59/10/646355910.db2.gz LELIVHRFCAUYLB-ZYHUDNBSSA-N 2 2 282.409 0.975 20 0 CCADLP C[C@@H]1CO[C@@H](CO)C[N@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873206796 646355913 /nfs/dbraw/zinc/35/59/13/646355913.db2.gz LELIVHRFCAUYLB-ZYHUDNBSSA-N 2 2 282.409 0.975 20 0 CCADLP C[C@@H]([NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)C1CC[NH2+]CC1 ZINC000873270357 646368815 /nfs/dbraw/zinc/36/88/15/646368815.db2.gz RJBJGWIPJAFRLS-KCPJHIHWSA-N 3 2 267.417 0.731 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CCC2OCCO2)CC1 ZINC000125134392 646484392 /nfs/dbraw/zinc/48/43/92/646484392.db2.gz QOBWJPNCUASGLG-UHFFFAOYSA-N 2 2 266.345 0.305 20 0 CCADLP O=C([C@H](F)[C@H]1CC[NH2+]C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000876708226 646647203 /nfs/dbraw/zinc/64/72/03/646647203.db2.gz ISGGESCUNLASRT-GXTWGEPZSA-N 2 2 292.358 0.678 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)CCC23CC(C2)C[NH2+]3)CCO1 ZINC000876747241 646655666 /nfs/dbraw/zinc/65/56/66/646655666.db2.gz YXMOVZPEHPBZNM-DNOWBOINSA-N 2 2 281.400 0.356 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)CCC23CC(C2)C[NH2+]3)CCO1 ZINC000876747241 646655672 /nfs/dbraw/zinc/65/56/72/646655672.db2.gz YXMOVZPEHPBZNM-DNOWBOINSA-N 2 2 281.400 0.356 20 0 CCADLP O=C(NCc1ccn2cc[nH+]c2c1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876768722 646660481 /nfs/dbraw/zinc/66/04/81/646660481.db2.gz YBCMBOGHAQVSJL-DGCLKSJQSA-N 2 2 276.315 0.898 20 0 CCADLP [NH3+]C[C@@H]1CC[C@@H](NC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000876870202 646686667 /nfs/dbraw/zinc/68/66/67/646686667.db2.gz LCASGKQDTZFLNT-IKGCNYHESA-N 2 2 267.373 0.118 20 0 CCADLP CC(C)(CC[NH3+])NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876926808 646699207 /nfs/dbraw/zinc/69/92/07/646699207.db2.gz GOOIYVHAGMDNIH-ARJAWSKDSA-N 2 2 255.362 0.118 20 0 CCADLP C[C@H]([NH3+])CN(C)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000877107171 646734274 /nfs/dbraw/zinc/73/42/74/646734274.db2.gz YOFYGOWAGOSELH-LBPRGKRZSA-N 2 2 293.415 0.438 20 0 CCADLP O=S(=O)(C1C[NH2+]C1)N1CCC(Nc2cccc[nH+]2)CC1 ZINC000923673137 646921840 /nfs/dbraw/zinc/92/18/40/646921840.db2.gz HVDFZLZBQMIHCQ-UHFFFAOYSA-N 2 2 296.396 0.260 20 0 CCADLP Cc1c[nH+]ccc1OC1CC[NH+](CCn2cnnn2)CC1 ZINC000878522427 646928499 /nfs/dbraw/zinc/92/84/99/646928499.db2.gz NMTOCCCEKWSTOJ-UHFFFAOYSA-N 2 2 288.355 0.920 20 0 CCADLP Cc1cc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)ncn1 ZINC000879596211 647080051 /nfs/dbraw/zinc/08/00/51/647080051.db2.gz IYOAXANZISGMQM-UHFFFAOYSA-N 2 2 289.427 0.997 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000879722813 647101800 /nfs/dbraw/zinc/10/18/00/647101800.db2.gz YEERZVGIWDPDBS-CHWSQXEVSA-N 2 2 278.356 0.171 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000879722813 647101804 /nfs/dbraw/zinc/10/18/04/647101804.db2.gz YEERZVGIWDPDBS-CHWSQXEVSA-N 2 2 278.356 0.171 20 0 CCADLP O=S1(=O)C[C@@H]2CC[N@H+](CCCn3cc[nH+]c3)C[C@H]2C1 ZINC000879938555 647131098 /nfs/dbraw/zinc/13/10/98/647131098.db2.gz DHMRJFRNHCXLDK-STQMWFEESA-N 2 2 283.397 0.640 20 0 CCADLP O=S1(=O)C[C@@H]2CC[N@@H+](CCCn3cc[nH+]c3)C[C@H]2C1 ZINC000879938555 647131104 /nfs/dbraw/zinc/13/11/04/647131104.db2.gz DHMRJFRNHCXLDK-STQMWFEESA-N 2 2 283.397 0.640 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)NC2CC2)CCN1c1cc[nH+]cc1 ZINC000880264209 647177752 /nfs/dbraw/zinc/17/77/52/647177752.db2.gz QJEJTICLTIPXSO-LBPRGKRZSA-N 2 2 274.368 0.871 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)NC2CC2)CCN1c1cc[nH+]cc1 ZINC000880264209 647177757 /nfs/dbraw/zinc/17/77/57/647177757.db2.gz QJEJTICLTIPXSO-LBPRGKRZSA-N 2 2 274.368 0.871 20 0 CCADLP Cn1nnnc1CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880570376 647233183 /nfs/dbraw/zinc/23/31/83/647233183.db2.gz VJIOFQIEHMPXSQ-AWEZNQCLSA-N 2 2 297.366 0.980 20 0 CCADLP Nc1cnccc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000882984963 647471892 /nfs/dbraw/zinc/47/18/92/647471892.db2.gz AKYGGNKOXVHBIO-STQMWFEESA-N 2 2 262.357 0.617 20 0 CCADLP Nc1cnccc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000882984963 647471897 /nfs/dbraw/zinc/47/18/97/647471897.db2.gz AKYGGNKOXVHBIO-STQMWFEESA-N 2 2 262.357 0.617 20 0 CCADLP Cc1cc(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)no1 ZINC000882984442 647472207 /nfs/dbraw/zinc/47/22/07/647472207.db2.gz HWGLMRNORYRBEX-LLVKDONJSA-N 2 2 252.362 0.709 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885866214 647880942 /nfs/dbraw/zinc/88/09/42/647880942.db2.gz UHGHWYSWHUHCJX-AWEZNQCLSA-N 2 2 292.383 0.643 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000885866214 647880944 /nfs/dbraw/zinc/88/09/44/647880944.db2.gz UHGHWYSWHUHCJX-AWEZNQCLSA-N 2 2 292.383 0.643 20 0 CCADLP C[C@](O)(C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)C(F)F ZINC000886286000 647957026 /nfs/dbraw/zinc/95/70/26/647957026.db2.gz YODUJTHBPFSWTN-YPMHNXCESA-N 2 2 278.343 0.534 20 0 CCADLP C[C@](O)(C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)C(F)F ZINC000886286000 647957031 /nfs/dbraw/zinc/95/70/31/647957031.db2.gz YODUJTHBPFSWTN-YPMHNXCESA-N 2 2 278.343 0.534 20 0 CCADLP OC[C@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000886794811 648015414 /nfs/dbraw/zinc/01/54/14/648015414.db2.gz FCXZSMUNSVZXNR-RYUDHWBXSA-N 2 2 296.333 0.690 20 0 CCADLP OC[C@]1(C(F)(F)F)CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000886794811 648015418 /nfs/dbraw/zinc/01/54/18/648015418.db2.gz FCXZSMUNSVZXNR-RYUDHWBXSA-N 2 2 296.333 0.690 20 0 CCADLP O=C(C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)NC[C@H]1CCCO1 ZINC000886871926 648027147 /nfs/dbraw/zinc/02/71/47/648027147.db2.gz FCOQAAQHPXAMHM-ZBFHGGJFSA-N 2 2 295.427 0.747 20 0 CCADLP O=C(C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)NC[C@H]1CCCO1 ZINC000886871926 648027154 /nfs/dbraw/zinc/02/71/54/648027154.db2.gz FCOQAAQHPXAMHM-ZBFHGGJFSA-N 2 2 295.427 0.747 20 0 CCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cc[nH]c(=O)c1 ZINC000924843409 648383989 /nfs/dbraw/zinc/38/39/89/648383989.db2.gz ZYSANCGKKVNBNF-LLVKDONJSA-N 2 2 278.356 0.212 20 0 CCADLP c1c(CCN[C@@H]2C[NH2+]CCOC2)[nH+]c2n1CCCC2 ZINC000925537150 648441508 /nfs/dbraw/zinc/44/15/08/648441508.db2.gz JRUGIZNYAFFOKW-CYBMUJFWSA-N 2 2 264.373 0.340 20 0 CCADLP C[C@H]([NH3+])[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccccc1 ZINC000925544422 648442060 /nfs/dbraw/zinc/44/20/60/648442060.db2.gz RDRYHFHEXFUDBG-GXTWGEPZSA-N 2 2 291.395 0.947 20 0 CCADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000925609273 648446864 /nfs/dbraw/zinc/44/68/64/648446864.db2.gz RRSJZPZCDMQNDH-CABCVRRESA-N 3 2 268.449 0.744 20 0 CCADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000925609273 648446868 /nfs/dbraw/zinc/44/68/68/648446868.db2.gz RRSJZPZCDMQNDH-CABCVRRESA-N 3 2 268.449 0.744 20 0 CCADLP Cn1cc([C@H](CO)[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cn1 ZINC000925625794 648448801 /nfs/dbraw/zinc/44/88/01/648448801.db2.gz KWSFWXPFZCIDIM-SDDRHHMPSA-N 2 2 250.346 0.313 20 0 CCADLP O=C(NCC[NH2+][C@H]1CC[NH2+]C12CCC2)c1ccn[nH]1 ZINC000925633422 648449415 /nfs/dbraw/zinc/44/94/15/648449415.db2.gz WDKRGBHDCULVFA-NSHDSACASA-N 2 2 263.345 0.014 20 0 CCADLP c1csc(N2CCC([NH2+][C@H]3C[NH2+]CCOC3)CC2)n1 ZINC000925653034 648450943 /nfs/dbraw/zinc/45/09/43/648450943.db2.gz CQZLYWMTISSXDG-LBPRGKRZSA-N 2 2 282.413 0.690 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925803168 648462446 /nfs/dbraw/zinc/46/24/46/648462446.db2.gz NAENCLIMAXHHMO-SYQHCUMBSA-N 3 2 255.406 0.589 20 0 CCADLP Cc1cc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)nn1C ZINC000926077997 648485000 /nfs/dbraw/zinc/48/50/00/648485000.db2.gz SYZSKRGJLNQZJQ-UHFFFAOYSA-N 2 2 280.376 0.273 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2cnn(CCF)c2)CC1 ZINC000926181367 648492302 /nfs/dbraw/zinc/49/23/02/648492302.db2.gz CIYBSDDURFZQBH-UHFFFAOYSA-N 2 2 298.366 0.397 20 0 CCADLP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000926502897 648506569 /nfs/dbraw/zinc/50/65/69/648506569.db2.gz BABPGICTHRVDEH-HZSPNIEDSA-N 2 2 283.416 0.480 20 0 CCADLP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000926502897 648506575 /nfs/dbraw/zinc/50/65/75/648506575.db2.gz BABPGICTHRVDEH-HZSPNIEDSA-N 2 2 283.416 0.480 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)C(C)(C)CO ZINC000926500853 648507019 /nfs/dbraw/zinc/50/70/19/648507019.db2.gz HKWHRHOBFUDULJ-STQMWFEESA-N 2 2 258.406 0.830 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)C(C)(C)CO ZINC000926500853 648507022 /nfs/dbraw/zinc/50/70/22/648507022.db2.gz HKWHRHOBFUDULJ-STQMWFEESA-N 2 2 258.406 0.830 20 0 CCADLP O[C@H]1CC[N@@H+](C2CC[NH+](CCO[C@H]3CCOC3)CC2)C1 ZINC000931065973 648942115 /nfs/dbraw/zinc/94/21/15/648942115.db2.gz GPKVRANUTYEBJS-GJZGRUSLSA-N 2 2 284.400 0.323 20 0 CCADLP O[C@H]1CC[N@H+](C2CC[NH+](CCO[C@H]3CCOC3)CC2)C1 ZINC000931065973 648942119 /nfs/dbraw/zinc/94/21/19/648942119.db2.gz GPKVRANUTYEBJS-GJZGRUSLSA-N 2 2 284.400 0.323 20 0 CCADLP C[C@@H](c1nnnn1C1CC1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931481013 648994587 /nfs/dbraw/zinc/99/45/87/648994587.db2.gz BKAFDKNXKIPKOE-NSHDSACASA-N 2 2 294.403 0.458 20 0 CCADLP Nc1cc[nH+]c2c1C[N@H+](CC1(O)CCOCC1)CC2 ZINC000931515358 648999557 /nfs/dbraw/zinc/99/95/57/648999557.db2.gz VVZOQNJTGFWQES-UHFFFAOYSA-N 2 2 263.341 0.563 20 0 CCADLP Nc1cc[nH+]c2c1C[N@@H+](CC1(O)CCOCC1)CC2 ZINC000931515358 648999559 /nfs/dbraw/zinc/99/95/59/648999559.db2.gz VVZOQNJTGFWQES-UHFFFAOYSA-N 2 2 263.341 0.563 20 0 CCADLP C[C@H]1C[N@H+](CCN2[C@@H]3CC[C@H]2C[NH+](C)CC3)CCO1 ZINC000931720297 649022165 /nfs/dbraw/zinc/02/21/65/649022165.db2.gz PFDUSVAGLQESMN-ZNMIVQPWSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@H]1C[N@@H+](CCN2[C@@H]3CC[C@H]2C[NH+](C)CC3)CCO1 ZINC000931720297 649022167 /nfs/dbraw/zinc/02/21/67/649022167.db2.gz PFDUSVAGLQESMN-ZNMIVQPWSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@H]1C[NH+](CCN2[C@@H]3CC[C@H]2C[N@H+](C)CC3)CCO1 ZINC000931720297 649022170 /nfs/dbraw/zinc/02/21/70/649022170.db2.gz PFDUSVAGLQESMN-ZNMIVQPWSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@H]1C[NH+](CCN2[C@@H]3CC[C@H]2C[N@@H+](C)CC3)CCO1 ZINC000931720297 649022171 /nfs/dbraw/zinc/02/21/71/649022171.db2.gz PFDUSVAGLQESMN-ZNMIVQPWSA-N 2 2 267.417 0.876 20 0 CCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H](O)COC[C@@H]1CCCO1 ZINC000931728125 649022953 /nfs/dbraw/zinc/02/29/53/649022953.db2.gz NEDDHGLUSMPNKC-JJXSEGSLSA-N 2 2 298.427 0.711 20 0 CCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H](O)COC[C@@H]1CCCO1 ZINC000931728125 649022955 /nfs/dbraw/zinc/02/29/55/649022955.db2.gz NEDDHGLUSMPNKC-JJXSEGSLSA-N 2 2 298.427 0.711 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H](O)COC[C@@H]1CCCO1 ZINC000931728125 649022957 /nfs/dbraw/zinc/02/29/57/649022957.db2.gz NEDDHGLUSMPNKC-JJXSEGSLSA-N 2 2 298.427 0.711 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H](O)COC[C@@H]1CCCO1 ZINC000931728125 649022959 /nfs/dbraw/zinc/02/29/59/649022959.db2.gz NEDDHGLUSMPNKC-JJXSEGSLSA-N 2 2 298.427 0.711 20 0 CCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H](O)COC[C@H]1CCCO1 ZINC000931728126 649023072 /nfs/dbraw/zinc/02/30/72/649023072.db2.gz NEDDHGLUSMPNKC-XUWVNRHRSA-N 2 2 298.427 0.711 20 0 CCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H](O)COC[C@H]1CCCO1 ZINC000931728126 649023075 /nfs/dbraw/zinc/02/30/75/649023075.db2.gz NEDDHGLUSMPNKC-XUWVNRHRSA-N 2 2 298.427 0.711 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@H](O)COC[C@H]1CCCO1 ZINC000931728126 649023078 /nfs/dbraw/zinc/02/30/78/649023078.db2.gz NEDDHGLUSMPNKC-XUWVNRHRSA-N 2 2 298.427 0.711 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@H](O)COC[C@H]1CCCO1 ZINC000931728126 649023080 /nfs/dbraw/zinc/02/30/80/649023080.db2.gz NEDDHGLUSMPNKC-XUWVNRHRSA-N 2 2 298.427 0.711 20 0 CCADLP COCC[NH+]1CCC(N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC001006472779 649523452 /nfs/dbraw/zinc/52/34/52/649523452.db2.gz LHHOJBOCGCHSKX-UHFFFAOYSA-N 2 2 280.372 0.452 20 0 CCADLP Cc1nc(N2CCN3CC[NH2+]C[C@H]3C2)c(C)c(C)[nH+]1 ZINC001164404806 718841537 /nfs/dbraw/zinc/84/15/37/718841537.db2.gz NDDJTHAMCXWMCB-ZDUSSCGKSA-N 2 2 261.373 0.496 20 0 CCADLP C[NH+](C)[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000277353993 721886665 /nfs/dbraw/zinc/88/66/65/721886665.db2.gz GMPUDFOWRUAUQL-CYBMUJFWSA-N 2 2 291.399 0.844 20 0 CCADLP Nc1cccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)[nH+]1 ZINC001165037462 721904677 /nfs/dbraw/zinc/90/46/77/721904677.db2.gz HGLLYGNOJPSTRP-LBPRGKRZSA-N 2 2 262.357 0.965 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001266735698 791200998 /nfs/dbraw/zinc/20/09/98/791200998.db2.gz SFHXJWPQLQLJHF-SDDRHHMPSA-N 2 2 266.345 0.155 20 0 CCADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCN3C(=O)OC[C@H]3C2)C1 ZINC001208613631 790431901 /nfs/dbraw/zinc/43/19/01/790431901.db2.gz WSVMBQPLBOUYRI-VXGBXAGGSA-N 2 2 253.346 0.465 20 0 CCADLP C[N@H+]1CCC[C@@H](C[NH+]2CCN3C(=O)OC[C@H]3C2)C1 ZINC001208613631 790431907 /nfs/dbraw/zinc/43/19/07/790431907.db2.gz WSVMBQPLBOUYRI-VXGBXAGGSA-N 2 2 253.346 0.465 20 0 CCADLP C[NH+]1CCC[C@@H](C[N@@H+]2CCN3C(=O)OC[C@H]3C2)C1 ZINC001208613631 790431913 /nfs/dbraw/zinc/43/19/13/790431913.db2.gz WSVMBQPLBOUYRI-VXGBXAGGSA-N 2 2 253.346 0.465 20 0 CCADLP C[NH+]1CCC[C@@H](C[N@H+]2CCN3C(=O)OC[C@H]3C2)C1 ZINC001208613631 790431920 /nfs/dbraw/zinc/43/19/20/790431920.db2.gz WSVMBQPLBOUYRI-VXGBXAGGSA-N 2 2 253.346 0.465 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C[C@@H]2CCC[NH+](C)C2)CCN1C ZINC001208615016 790434341 /nfs/dbraw/zinc/43/43/41/790434341.db2.gz GVMKGIJCAKJORP-OLZOCXBDSA-N 2 2 269.389 0.117 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C[C@@H]2CCC[NH+](C)C2)CCN1C ZINC001208615016 790434352 /nfs/dbraw/zinc/43/43/52/790434352.db2.gz GVMKGIJCAKJORP-OLZOCXBDSA-N 2 2 269.389 0.117 20 0 CCADLP COC(=O)[C@@H]1C[NH+](C[C@@H]2CCC[N@H+](C)C2)CCN1C ZINC001208615016 790434359 /nfs/dbraw/zinc/43/43/59/790434359.db2.gz GVMKGIJCAKJORP-OLZOCXBDSA-N 2 2 269.389 0.117 20 0 CCADLP COC(=O)[C@@H]1C[NH+](C[C@@H]2CCC[N@@H+](C)C2)CCN1C ZINC001208615016 790434365 /nfs/dbraw/zinc/43/43/65/790434365.db2.gz GVMKGIJCAKJORP-OLZOCXBDSA-N 2 2 269.389 0.117 20 0 CCADLP [NH3+]Cc1ocnc1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000721428571 790781828 /nfs/dbraw/zinc/78/18/28/790781828.db2.gz QPOVKNDEJSDNKU-QMMMGPOBSA-N 2 2 250.302 0.100 20 0 CCADLP [NH3+]Cc1ocnc1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000721428571 790781833 /nfs/dbraw/zinc/78/18/33/790781833.db2.gz QPOVKNDEJSDNKU-QMMMGPOBSA-N 2 2 250.302 0.100 20 0 CCADLP CC1(C)CO[C@@H](C[NH2+]CCCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001167349537 790943996 /nfs/dbraw/zinc/94/39/96/790943996.db2.gz ACLQLPPXQKBWBE-CYBMUJFWSA-N 2 2 294.399 0.863 20 0 CCADLP Cc1nocc1C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167349846 790944264 /nfs/dbraw/zinc/94/42/64/790944264.db2.gz ILDAIJVGKFRJQT-UHFFFAOYSA-N 2 2 277.328 0.545 20 0 CCADLP CCOCCC[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167350442 790948670 /nfs/dbraw/zinc/94/86/70/790948670.db2.gz VOLYGTUJVDCLIB-UHFFFAOYSA-N 2 2 268.361 0.475 20 0 CCADLP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001167427784 791062129 /nfs/dbraw/zinc/06/21/29/791062129.db2.gz AEMPFXGWZUPNEC-VXGBXAGGSA-N 2 2 295.387 0.065 20 0 CCADLP O=c1[nH]cc(C[NH+]2CCC([NH+]3CCC3)CC2)c(=O)[nH]1 ZINC001231706932 805840797 /nfs/dbraw/zinc/84/07/97/805840797.db2.gz RKLOMYAUDFGBJH-UHFFFAOYSA-N 2 2 264.329 0.558 20 0 CCADLP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001277626961 805907507 /nfs/dbraw/zinc/90/75/07/805907507.db2.gz IYDTWFQACABYQG-GOEBONIOSA-N 3 2 280.460 0.648 20 0 CCADLP C[NH+](C)CCN1C[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001277626961 805907509 /nfs/dbraw/zinc/90/75/09/805907509.db2.gz IYDTWFQACABYQG-GOEBONIOSA-N 3 2 280.460 0.648 20 0 CCADLP CC(=O)C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001232361191 805927992 /nfs/dbraw/zinc/92/79/92/805927992.db2.gz TXUSVSKROJSFGQ-UHFFFAOYSA-N 2 2 276.384 0.854 20 0 CCADLP CC(=O)C[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001232361191 805927996 /nfs/dbraw/zinc/92/79/96/805927996.db2.gz TXUSVSKROJSFGQ-UHFFFAOYSA-N 2 2 276.384 0.854 20 0 CCADLP Cc1[nH]c(CN2CCN(CC[NH+]3CCCC3)CC2)c[nH+]1 ZINC001232464988 805943050 /nfs/dbraw/zinc/94/30/50/805943050.db2.gz PJYGOTPVVAVWFF-UHFFFAOYSA-N 2 2 277.416 0.932 20 0 CCADLP Cc1[nH]cc(CN2CCN(CC[NH+]3CCCC3)CC2)[nH+]1 ZINC001232464988 805943054 /nfs/dbraw/zinc/94/30/54/805943054.db2.gz PJYGOTPVVAVWFF-UHFFFAOYSA-N 2 2 277.416 0.932 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001266714820 791173138 /nfs/dbraw/zinc/17/31/38/791173138.db2.gz SJLOPYQABMWVLJ-MXWKQRLJSA-N 2 2 266.345 0.224 20 0 CCADLP CCOCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001266714993 791174055 /nfs/dbraw/zinc/17/40/55/791174055.db2.gz VMHDRNULMYRLOM-PHIMTYICSA-N 2 2 266.345 0.226 20 0 CCADLP CC(C)[C@@H](C(=O)N(C)CC[NH2+]Cc1cnsn1)[NH+](C)C ZINC001266732984 791197470 /nfs/dbraw/zinc/19/74/70/791197470.db2.gz PGQYZHNFYPNUHI-LBPRGKRZSA-N 2 2 299.444 0.672 20 0 CCADLP C[C@@H](NC(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@H](C)[NH+]1CCOCC1 ZINC000891516389 791265712 /nfs/dbraw/zinc/26/57/12/791265712.db2.gz GOBGNHNEMUSYEJ-YVECIDJPSA-N 2 2 284.404 0.132 20 0 CCADLP COC(=O)CCN(CCC[NH+](C)C)Cc1cccc(N)[nH+]1 ZINC001233371560 806050636 /nfs/dbraw/zinc/05/06/36/806050636.db2.gz WPVYNQIROKSNIS-UHFFFAOYSA-N 2 2 294.399 0.981 20 0 CCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[C@H]([NH2+]CCCF)C1 ZINC001267012747 791444953 /nfs/dbraw/zinc/44/49/53/791444953.db2.gz CKFFYHZQAVLXJQ-STQMWFEESA-N 2 2 294.374 0.996 20 0 CCADLP CC[NH2+]CCCNC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001167510590 791495936 /nfs/dbraw/zinc/49/59/36/791495936.db2.gz YFMNAJACJIYCAN-UHFFFAOYSA-N 2 2 283.416 0.747 20 0 CCADLP C[NH+]1CCC(C[N@@H+]2Cc3ccnn3CC[C@@H]2C(N)=O)CC1 ZINC001277798743 806103523 /nfs/dbraw/zinc/10/35/23/806103523.db2.gz OAJSJWOPHWZJGN-CQSZACIVSA-N 2 2 291.399 0.285 20 0 CCADLP C[NH+]1CCC(C[N@H+]2Cc3ccnn3CC[C@@H]2C(N)=O)CC1 ZINC001277798743 806103529 /nfs/dbraw/zinc/10/35/29/806103529.db2.gz OAJSJWOPHWZJGN-CQSZACIVSA-N 2 2 291.399 0.285 20 0 CCADLP C(c1n[nH]c2c1CCC2)N1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234986108 806329598 /nfs/dbraw/zinc/32/95/98/806329598.db2.gz AHTDIGJSDKUNIF-AWEZNQCLSA-N 2 2 261.373 0.036 20 0 CCADLP FC1(C[N@@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001235006884 806344756 /nfs/dbraw/zinc/34/47/56/806344756.db2.gz LBIQYTFQONXZLQ-AWEZNQCLSA-N 3 2 285.407 0.780 20 0 CCADLP FC1(C[N@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001235006884 806344766 /nfs/dbraw/zinc/34/47/66/806344766.db2.gz LBIQYTFQONXZLQ-AWEZNQCLSA-N 3 2 285.407 0.780 20 0 CCADLP C[C@@H](C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1)C(F)(F)F ZINC001235052261 806352591 /nfs/dbraw/zinc/35/25/91/806352591.db2.gz NMPHMCOZXZQZIY-UWVGGRQHSA-N 2 2 251.296 0.822 20 0 CCADLP C[C@@H](C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1)C(F)(F)F ZINC001235052261 806352600 /nfs/dbraw/zinc/35/26/00/806352600.db2.gz NMPHMCOZXZQZIY-UWVGGRQHSA-N 2 2 251.296 0.822 20 0 CCADLP CN(C)c1ccc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)s1 ZINC001235053890 806355350 /nfs/dbraw/zinc/35/53/50/806355350.db2.gz MGLVYBDUIADKSO-AWEZNQCLSA-N 2 2 280.441 0.951 20 0 CCADLP CN(C)c1ccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)s1 ZINC001235053890 806355360 /nfs/dbraw/zinc/35/53/60/806355360.db2.gz MGLVYBDUIADKSO-AWEZNQCLSA-N 2 2 280.441 0.951 20 0 CCADLP CCCCc1[nH]c(CN2CCN[C@]3(CC[NH2+]C3)C2)c[nH+]1 ZINC001235060593 806362774 /nfs/dbraw/zinc/36/27/74/806362774.db2.gz GZDXOGMYRIJGKB-HNNXBMFYSA-N 2 2 277.416 0.890 20 0 CCADLP CCCCc1[nH]cc(CN2CCN[C@]3(CC[NH2+]C3)C2)[nH+]1 ZINC001235060593 806362782 /nfs/dbraw/zinc/36/27/82/806362782.db2.gz GZDXOGMYRIJGKB-HNNXBMFYSA-N 2 2 277.416 0.890 20 0 CCADLP Cc1ccc(O)cc1C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235060746 806361571 /nfs/dbraw/zinc/36/15/71/806361571.db2.gz GPYSYDYNSBUQLM-HNNXBMFYSA-N 2 2 261.369 0.838 20 0 CCADLP Cc1ccc(O)cc1C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235060746 806361578 /nfs/dbraw/zinc/36/15/78/806361578.db2.gz GPYSYDYNSBUQLM-HNNXBMFYSA-N 2 2 261.369 0.838 20 0 CCADLP c1cn2c(cccc2CN2CCN[C@@]3(CC[NH2+]C3)C2)[nH+]1 ZINC001235063559 806365931 /nfs/dbraw/zinc/36/59/31/806365931.db2.gz STWQUHUOOCIRBF-OAHLLOKOSA-N 2 2 271.368 0.472 20 0 CCADLP C[C@@H]([NH3+])CN1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001235487312 806432455 /nfs/dbraw/zinc/43/24/55/806432455.db2.gz WGOUBZRFCBMWAQ-SNVBAGLBSA-N 2 2 261.329 0.625 20 0 CCADLP [NH3+]CC[NH+]1CCC2(C[C@H](OCC3CC3)CO2)CC1 ZINC001235522798 806445637 /nfs/dbraw/zinc/44/56/37/806445637.db2.gz UBOCNCVVYXYXAQ-ZDUSSCGKSA-N 2 2 254.374 0.995 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1C[C@@H]2COC[C@]2(CNC(=O)N2CCCC2)C1 ZINC001235539177 806448526 /nfs/dbraw/zinc/44/85/26/806448526.db2.gz UUQNFROEYKANMM-GUTXKFCHSA-N 2 2 296.415 0.087 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1C[C@@H]2COC[C@]2(CNC(=O)N2CCCC2)C1 ZINC001235539177 806448528 /nfs/dbraw/zinc/44/85/28/806448528.db2.gz UUQNFROEYKANMM-GUTXKFCHSA-N 2 2 296.415 0.087 20 0 CCADLP CN(C)C(=O)N[C@@H]1COCCC12CC[NH+](CC[NH3+])CC2 ZINC001235555425 806454911 /nfs/dbraw/zinc/45/49/11/806454911.db2.gz RFRLMZPJZZVROF-GFCCVEGCSA-N 2 2 284.404 0.087 20 0 CCADLP C[C@@H]([NH3+])C[NH+]1CCC2(CCCN2C(=O)N(C)C)CC1 ZINC001235573932 806459476 /nfs/dbraw/zinc/45/94/76/806459476.db2.gz WWKQIYOOIHGXEG-GFCCVEGCSA-N 2 2 268.405 0.946 20 0 CCADLP [NH3+]CCCC[N@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001235572763 806459762 /nfs/dbraw/zinc/45/97/62/806459762.db2.gz CVYXMYZOQAYJLX-UHFFFAOYSA-N 3 2 288.399 0.725 20 0 CCADLP [NH3+]CCCC[N@@H+]1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001235572763 806459765 /nfs/dbraw/zinc/45/97/65/806459765.db2.gz CVYXMYZOQAYJLX-UHFFFAOYSA-N 3 2 288.399 0.725 20 0 CCADLP CN(C)C(=O)[C@H]1CC12CC[NH+](C[C@@H]1C[NH2+]C(C)(C)O1)CC2 ZINC001235596325 806468890 /nfs/dbraw/zinc/46/88/90/806468890.db2.gz IOQIEPNSVCDLFA-QWHCGFSZSA-N 2 2 295.427 0.901 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCC[C@@]2(CCC[NH+](CC(=O)N(C)C)C2)C1 ZINC001277959045 806481552 /nfs/dbraw/zinc/48/15/52/806481552.db2.gz PWBLLCZSKYWWGX-GDBMZVCRSA-N 2 2 297.443 0.633 20 0 CCADLP C[C@@H](O)C[N@H+]1CCC[C@@]2(CCC[NH+](CC(=O)N(C)C)C2)C1 ZINC001277959045 806481559 /nfs/dbraw/zinc/48/15/59/806481559.db2.gz PWBLLCZSKYWWGX-GDBMZVCRSA-N 2 2 297.443 0.633 20 0 CCADLP C[C@@H](O)C[NH+]1CCC[C@@]2(CCC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001277959045 806481565 /nfs/dbraw/zinc/48/15/65/806481565.db2.gz PWBLLCZSKYWWGX-GDBMZVCRSA-N 2 2 297.443 0.633 20 0 CCADLP C[C@@H](O)C[NH+]1CCC[C@@]2(CCC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001277959045 806481568 /nfs/dbraw/zinc/48/15/68/806481568.db2.gz PWBLLCZSKYWWGX-GDBMZVCRSA-N 2 2 297.443 0.633 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([NH3+])C[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001235769935 806502240 /nfs/dbraw/zinc/50/22/40/806502240.db2.gz IHEMOTOAZBAIGA-XQQFMLRXSA-N 3 2 269.389 0.198 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([NH3+])C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001235769935 806502245 /nfs/dbraw/zinc/50/22/45/806502245.db2.gz IHEMOTOAZBAIGA-XQQFMLRXSA-N 3 2 269.389 0.198 20 0 CCADLP CN(C)C(=O)CC[N@H+](C)C[C@H]([NH3+])Cc1ccccc1 ZINC001235960038 806521394 /nfs/dbraw/zinc/52/13/94/806521394.db2.gz TYGCVPFKKPUQNS-CQSZACIVSA-N 2 2 263.385 0.967 20 0 CCADLP CN(C)C(=O)CC[N@@H+](C)C[C@H]([NH3+])Cc1ccccc1 ZINC001235960038 806521400 /nfs/dbraw/zinc/52/14/00/806521400.db2.gz TYGCVPFKKPUQNS-CQSZACIVSA-N 2 2 263.385 0.967 20 0 CCADLP COc1ccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cn1 ZINC001235991998 806523871 /nfs/dbraw/zinc/52/38/71/806523871.db2.gz ISLWVRVKXPXCEF-ONXXMXGDSA-N 2 2 263.341 0.496 20 0 CCADLP COc1ccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cn1 ZINC001235991998 806523877 /nfs/dbraw/zinc/52/38/77/806523877.db2.gz ISLWVRVKXPXCEF-ONXXMXGDSA-N 2 2 263.341 0.496 20 0 CCADLP CC(=O)N(C)[C@H]1CC[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001236302728 806565470 /nfs/dbraw/zinc/56/54/70/806565470.db2.gz DHHHNDKPHYNHJA-RYUDHWBXSA-N 2 2 255.362 0.264 20 0 CCADLP CC(=O)N(C)[C@H]1CC[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001236302728 806565476 /nfs/dbraw/zinc/56/54/76/806565476.db2.gz DHHHNDKPHYNHJA-RYUDHWBXSA-N 2 2 255.362 0.264 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1[NH2+]CC12CCCC2 ZINC001121829104 799074632 /nfs/dbraw/zinc/07/46/32/799074632.db2.gz JSURFSZRKNZKLH-NWDGAFQWSA-N 2 2 262.357 0.920 20 0 CCADLP Cc1[nH+]ccn1-c1ncccc1NC(=O)CNCC[NH3+] ZINC001121983784 799113528 /nfs/dbraw/zinc/11/35/28/799113528.db2.gz UMRDLHHSWVCRDY-UHFFFAOYSA-N 2 2 274.328 0.063 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC001121986333 799113639 /nfs/dbraw/zinc/11/36/39/799113639.db2.gz HJQWECIMGRNSSH-NWDGAFQWSA-N 2 2 262.357 0.943 20 0 CCADLP C[C@@H]1CC2(CN1C(=O)Cc1[nH]cc[nH+]1)CC[NH2+]CC2 ZINC001121999107 799118257 /nfs/dbraw/zinc/11/82/57/799118257.db2.gz HCPBBRVRKVATLY-LLVKDONJSA-N 2 2 262.357 0.943 20 0 CCADLP O=C(NCC12CC(C1)C[NH2+]2)[C@@H]1CCc2c[nH+]cn2C1 ZINC001122153579 799156610 /nfs/dbraw/zinc/15/66/10/799156610.db2.gz FWALNNFLXXXCCA-IQLKVPPVSA-N 2 2 260.341 0.314 20 0 CCADLP OC[C@H]1C[N@H+](Cc2cccc3c[nH+]cn32)CC[C@H]1O ZINC001238107195 806750212 /nfs/dbraw/zinc/75/02/12/806750212.db2.gz ONSSBVNVJQSETF-BXUZGUMPSA-N 2 2 261.325 0.509 20 0 CCADLP OC[C@H]1C[N@@H+](Cc2cccc3c[nH+]cn32)CC[C@H]1O ZINC001238107195 806750213 /nfs/dbraw/zinc/75/02/13/806750213.db2.gz ONSSBVNVJQSETF-BXUZGUMPSA-N 2 2 261.325 0.509 20 0 CCADLP C[NH+](C)CCN1CC[NH+](Cc2ncccc2O)CC1 ZINC001138391582 799724242 /nfs/dbraw/zinc/72/42/42/799724242.db2.gz PKIIYBCEFIYYGI-UHFFFAOYSA-N 2 2 264.373 0.466 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1C[C@@H]([NH2+]CCO)C12CCC2 ZINC001202857242 799749779 /nfs/dbraw/zinc/74/97/79/799749779.db2.gz QENQYOQKRJTSEN-NEPJUHHUSA-N 2 2 292.383 0.352 20 0 CCADLP COc1cc(C[N@H+](C)CCN2CC[NH+](C)CC2)cnc1F ZINC001238451765 806784465 /nfs/dbraw/zinc/78/44/65/806784465.db2.gz RYZAQPWBRIZKAJ-UHFFFAOYSA-N 2 2 296.390 0.909 20 0 CCADLP COc1cc(C[N@@H+](C)CCN2CC[NH+](C)CC2)cnc1F ZINC001238451765 806784468 /nfs/dbraw/zinc/78/44/68/806784468.db2.gz RYZAQPWBRIZKAJ-UHFFFAOYSA-N 2 2 296.390 0.909 20 0 CCADLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1cccc(F)n1 ZINC001140134369 799884591 /nfs/dbraw/zinc/88/45/91/799884591.db2.gz ULBQDBZDIKLWRY-UHFFFAOYSA-N 2 2 266.364 0.900 20 0 CCADLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cccc(F)n1 ZINC001140134369 799884597 /nfs/dbraw/zinc/88/45/97/799884597.db2.gz ULBQDBZDIKLWRY-UHFFFAOYSA-N 2 2 266.364 0.900 20 0 CCADLP COc1ccc(C[NH+]2CC(N3CC[NH+](C)CC3)C2)cc1N ZINC001140900904 799958470 /nfs/dbraw/zinc/95/84/70/799958470.db2.gz DIEWOWUYGJIOAE-UHFFFAOYSA-N 2 2 290.411 0.709 20 0 CCADLP CNC(=O)C[N@H+](C)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140970815 799967270 /nfs/dbraw/zinc/96/72/70/799967270.db2.gz VKDDGLMZGCQULH-UHFFFAOYSA-N 2 2 290.411 0.616 20 0 CCADLP CNC(=O)C[N@@H+](C)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140970815 799967273 /nfs/dbraw/zinc/96/72/73/799967273.db2.gz VKDDGLMZGCQULH-UHFFFAOYSA-N 2 2 290.411 0.616 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001142919817 800172774 /nfs/dbraw/zinc/17/27/74/800172774.db2.gz XONZGJIOXUHAAK-CYBMUJFWSA-N 2 2 269.389 0.309 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001142919817 800172777 /nfs/dbraw/zinc/17/27/77/800172777.db2.gz XONZGJIOXUHAAK-CYBMUJFWSA-N 2 2 269.389 0.309 20 0 CCADLP Cc1cc(C)cc(S(=O)(=O)NCC[NH2+]CC[NH3+])c1 ZINC001238839389 806812277 /nfs/dbraw/zinc/81/22/77/806812277.db2.gz QZBXDGHQBDXFEX-UHFFFAOYSA-N 2 2 271.386 0.130 20 0 CCADLP CC[N@@H+]1CCCO[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001149632801 800285793 /nfs/dbraw/zinc/28/57/93/800285793.db2.gz VTCSLKLSDAWAHC-GFCCVEGCSA-N 2 2 280.372 0.569 20 0 CCADLP CC[N@H+]1CCCO[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001149632801 800285796 /nfs/dbraw/zinc/28/57/96/800285796.db2.gz VTCSLKLSDAWAHC-GFCCVEGCSA-N 2 2 280.372 0.569 20 0 CCADLP CC[N@@H+]1CCCO[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001149825685 800301752 /nfs/dbraw/zinc/30/17/52/800301752.db2.gz CEIIYMSOQIPQAN-ZDUSSCGKSA-N 2 2 280.372 0.569 20 0 CCADLP CC[N@H+]1CCCO[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001149825685 800301758 /nfs/dbraw/zinc/30/17/58/800301758.db2.gz CEIIYMSOQIPQAN-ZDUSSCGKSA-N 2 2 280.372 0.569 20 0 CCADLP CC[N@@H+]1CCCO[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001149825685 800301763 /nfs/dbraw/zinc/30/17/63/800301763.db2.gz CEIIYMSOQIPQAN-ZDUSSCGKSA-N 2 2 280.372 0.569 20 0 CCADLP CC[N@H+]1CCCO[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001149825685 800301766 /nfs/dbraw/zinc/30/17/66/800301766.db2.gz CEIIYMSOQIPQAN-ZDUSSCGKSA-N 2 2 280.372 0.569 20 0 CCADLP CC[N@@H+]1CCCO[C@@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001150012014 800309742 /nfs/dbraw/zinc/30/97/42/800309742.db2.gz FAWUYHBPBXPSAQ-ZDUSSCGKSA-N 2 2 294.399 0.580 20 0 CCADLP CC[N@H+]1CCCO[C@@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001150012014 800309751 /nfs/dbraw/zinc/30/97/51/800309751.db2.gz FAWUYHBPBXPSAQ-ZDUSSCGKSA-N 2 2 294.399 0.580 20 0 CCADLP CC[N@@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150823935 800371309 /nfs/dbraw/zinc/37/13/09/800371309.db2.gz DDBJUGDRRRSVSU-GFCCVEGCSA-N 2 2 266.345 0.110 20 0 CCADLP CC[N@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150823935 800371316 /nfs/dbraw/zinc/37/13/16/800371316.db2.gz DDBJUGDRRRSVSU-GFCCVEGCSA-N 2 2 266.345 0.110 20 0 CCADLP O=C(CCC[NH+]1CCCC1)NCC[NH2+]Cc1cnsn1 ZINC001152224432 800503029 /nfs/dbraw/zinc/50/30/29/800503029.db2.gz XGKUBOLSTBQUKL-UHFFFAOYSA-N 2 2 297.428 0.620 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C)nc1 ZINC001152427233 800521700 /nfs/dbraw/zinc/52/17/00/800521700.db2.gz UTVCCJJJNINVFJ-UHFFFAOYSA-N 2 2 279.388 0.331 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)C[N@H+](C)C(C)C)nc1 ZINC001152427233 800521702 /nfs/dbraw/zinc/52/17/02/800521702.db2.gz UTVCCJJJNINVFJ-UHFFFAOYSA-N 2 2 279.388 0.331 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NCC[NH2+]C[C@H]1CCOC1 ZINC001153350839 800624182 /nfs/dbraw/zinc/62/41/82/800624182.db2.gz KZDYRZOMWQXXIV-CYBMUJFWSA-N 2 2 280.372 0.406 20 0 CCADLP Cc1cncc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2)c1 ZINC001153487943 800633920 /nfs/dbraw/zinc/63/39/20/800633920.db2.gz UTPNVNJAAVBCCJ-UHFFFAOYSA-N 2 2 273.340 0.493 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CCC(F)(F)F ZINC001153496267 800635043 /nfs/dbraw/zinc/63/50/43/800635043.db2.gz XXJMAUVVBOFCSA-UHFFFAOYSA-N 2 2 264.251 0.541 20 0 CCADLP CC(C)n1ccc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2)n1 ZINC001153500206 800636972 /nfs/dbraw/zinc/63/69/72/800636972.db2.gz GYBZHKIKLZEYQX-UHFFFAOYSA-N 2 2 290.371 0.567 20 0 CCADLP Cn1c[nH+]cc1CN1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001204383467 800867955 /nfs/dbraw/zinc/86/79/55/800867955.db2.gz FDDRVUCEIDGMPA-GASCZTMLSA-N 2 2 276.384 0.715 20 0 CCADLP Cn1c[nH+]cc1CN1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001204383467 800867960 /nfs/dbraw/zinc/86/79/60/800867960.db2.gz FDDRVUCEIDGMPA-GASCZTMLSA-N 2 2 276.384 0.715 20 0 CCADLP CCN(CC)c1cc(NC[C@]23C[NH2+]C[C@H]2COC3)[nH+]cn1 ZINC001155515843 800996692 /nfs/dbraw/zinc/99/66/92/800996692.db2.gz LEWZEOFJBNYCGU-WFASDCNBSA-N 2 2 291.399 0.971 20 0 CCADLP CCN(CC)c1cc(NC[C@]23C[NH2+]C[C@H]2COC3)nc[nH+]1 ZINC001155515843 800996696 /nfs/dbraw/zinc/99/66/96/800996696.db2.gz LEWZEOFJBNYCGU-WFASDCNBSA-N 2 2 291.399 0.971 20 0 CCADLP Cc1cc[nH+]c(NC[C@@]23C[NH2+][C@@H](CO2)C3)c1C(N)=O ZINC001155542038 801003024 /nfs/dbraw/zinc/00/30/24/801003024.db2.gz XRXWXBOZFNARHS-NOZJJQNGSA-N 2 2 262.313 0.032 20 0 CCADLP CCc1nc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)cc(C)[nH+]1 ZINC001155579719 801014888 /nfs/dbraw/zinc/01/48/88/801014888.db2.gz HEQZJVGNUQNHCR-TVQRCGJNSA-N 2 2 261.329 0.337 20 0 CCADLP CC[N@H+](CCF)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156383543 801159202 /nfs/dbraw/zinc/15/92/02/801159202.db2.gz NUVUXWRNJLUQDD-LLVKDONJSA-N 2 2 270.352 0.759 20 0 CCADLP CC[N@@H+](CCF)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156383543 801159205 /nfs/dbraw/zinc/15/92/05/801159205.db2.gz NUVUXWRNJLUQDD-LLVKDONJSA-N 2 2 270.352 0.759 20 0 CCADLP C[C@@]1(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CCCCO1 ZINC001206660714 801186631 /nfs/dbraw/zinc/18/66/31/801186631.db2.gz GSQDITHPSFUQMK-ZFWWWQNUSA-N 2 2 283.416 0.875 20 0 CCADLP C[C@@]1(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CCCCO1 ZINC001206660714 801186635 /nfs/dbraw/zinc/18/66/35/801186635.db2.gz GSQDITHPSFUQMK-ZFWWWQNUSA-N 2 2 283.416 0.875 20 0 CCADLP C[N@@H+]1CCN(C(=O)C[NH2+]CCC[NH3+])[C@H](c2ccccc2)C1 ZINC001157508456 801403050 /nfs/dbraw/zinc/40/30/50/801403050.db2.gz VJQANQHIZTYBNW-HNNXBMFYSA-N 3 2 290.411 0.440 20 0 CCADLP C[N@H+]1CCN(C(=O)C[NH2+]CCC[NH3+])[C@H](c2ccccc2)C1 ZINC001157508456 801403054 /nfs/dbraw/zinc/40/30/54/801403054.db2.gz VJQANQHIZTYBNW-HNNXBMFYSA-N 3 2 290.411 0.440 20 0 CCADLP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@]1(C)CC(F)(F)C[NH2+]1 ZINC001157843060 801499437 /nfs/dbraw/zinc/49/94/37/801499437.db2.gz ORIPMWGVEGGOQV-SCVCMEIPSA-N 2 2 275.343 0.960 20 0 CCADLP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@]1(C)CC(F)(F)C[NH2+]1 ZINC001157843057 801499646 /nfs/dbraw/zinc/49/96/46/801499646.db2.gz ORIPMWGVEGGOQV-CKYFFXLPSA-N 2 2 275.343 0.960 20 0 CCADLP CCN(C)c1ccnc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001157910587 801517736 /nfs/dbraw/zinc/51/77/36/801517736.db2.gz MDVNLQJFOQDFKP-UHFFFAOYSA-N 2 2 277.376 0.527 20 0 CCADLP C[C@]1(F)CCCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001157915002 801519386 /nfs/dbraw/zinc/51/93/86/801519386.db2.gz ONQMDJGFNWSVNT-FPMFFAJLSA-N 2 2 269.364 0.679 20 0 CCADLP O=C([C@H]1C[NH2+]CCC1=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157970580 801544105 /nfs/dbraw/zinc/54/41/05/801544105.db2.gz RJRJROXVDKINME-UONOGXRCSA-N 2 2 287.363 0.338 20 0 CCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@]1(C)CC(C)(C)C[NH2+]1 ZINC001158000168 801550188 /nfs/dbraw/zinc/55/01/88/801550188.db2.gz WKGHOEDGEDYIPS-ABAIWWIYSA-N 2 2 297.399 0.128 20 0 CCADLP CSc1ncc(Cl)nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158206734 801593662 /nfs/dbraw/zinc/59/36/62/801593662.db2.gz YUBVLHMEFVHPKG-SSDOTTSWSA-N 2 2 299.787 0.900 20 0 CCADLP CCc1c(Cl)ncnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158208948 801596062 /nfs/dbraw/zinc/59/60/62/801596062.db2.gz ALWDYTDEAILHIY-MRVPVSSYSA-N 2 2 281.747 0.740 20 0 CCADLP Cc1cc2ccncc2nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158209176 801596345 /nfs/dbraw/zinc/59/63/45/801596345.db2.gz JKIBNIZJWMVMIX-GFCCVEGCSA-N 2 2 283.335 0.986 20 0 CCADLP COc1cc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)ncn1 ZINC001158257436 801606749 /nfs/dbraw/zinc/60/67/49/801606749.db2.gz FDYXTUXDTWMFCD-LLVKDONJSA-N 2 2 277.372 0.487 20 0 CCADLP COc1cc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)ncn1 ZINC001158257436 801606754 /nfs/dbraw/zinc/60/67/54/801606754.db2.gz FDYXTUXDTWMFCD-LLVKDONJSA-N 2 2 277.372 0.487 20 0 CCADLP CCOc1cc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)ncn1 ZINC001158268875 801610106 /nfs/dbraw/zinc/61/01/06/801610106.db2.gz NLECYQAGMOAGLQ-LBPRGKRZSA-N 2 2 291.399 0.877 20 0 CCADLP CCOc1cc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)ncn1 ZINC001158268875 801610112 /nfs/dbraw/zinc/61/01/12/801610112.db2.gz NLECYQAGMOAGLQ-LBPRGKRZSA-N 2 2 291.399 0.877 20 0 CCADLP [NH3+]C1(C(=O)N2CC3(C2)CC[N@H+](CC2CC2)C3)CC[NH2+]CC1 ZINC001159291878 801785454 /nfs/dbraw/zinc/78/54/54/801785454.db2.gz UQHFKPIORUQQSX-UHFFFAOYSA-N 3 2 292.427 0.012 20 0 CCADLP [NH3+]C1(C(=O)N2CC3(C2)CC[N@@H+](CC2CC2)C3)CC[NH2+]CC1 ZINC001159291878 801785457 /nfs/dbraw/zinc/78/54/57/801785457.db2.gz UQHFKPIORUQQSX-UHFFFAOYSA-N 3 2 292.427 0.012 20 0 CCADLP C[C@@H](Nc1cc(N2CCOCC2)nc[nH+]1)[C@H]1C[NH2+]CCO1 ZINC001159489000 801816638 /nfs/dbraw/zinc/81/66/38/801816638.db2.gz JACRMMOLWSLNJO-VXGBXAGGSA-N 2 2 293.371 0.102 20 0 CCADLP C[C@@H](Nc1cc(N2CCOCC2)[nH+]cn1)[C@H]1C[NH2+]CCO1 ZINC001159489000 801816645 /nfs/dbraw/zinc/81/66/45/801816645.db2.gz JACRMMOLWSLNJO-VXGBXAGGSA-N 2 2 293.371 0.102 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCCC[NH2+]C[C@@H]1CCOC1 ZINC001159539891 801831663 /nfs/dbraw/zinc/83/16/63/801831663.db2.gz FJOUPAZWUDLFQJ-LBPRGKRZSA-N 2 2 280.372 0.475 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCCC[NH2+]C[C@@H]1CCOC1 ZINC001159539891 801831670 /nfs/dbraw/zinc/83/16/70/801831670.db2.gz FJOUPAZWUDLFQJ-LBPRGKRZSA-N 2 2 280.372 0.475 20 0 CCADLP CC(C)N(CC1CC1)C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160482868 801949323 /nfs/dbraw/zinc/94/93/23/801949323.db2.gz BOLXHYZVQQLKOA-GXTWGEPZSA-N 2 2 251.374 0.585 20 0 CCADLP CCN(CC(=O)OC(C)(C)C)C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160679806 801997738 /nfs/dbraw/zinc/99/77/38/801997738.db2.gz HASZABGMAYVMAN-XHDPSFHLSA-N 2 2 297.399 0.128 20 0 CCADLP C[N@H+]1C[C@H]2CN(C(=O)c3ccc([C@H]([NH3+])C[NH3+])cc3)C[C@H]2C1 ZINC001160704821 802006219 /nfs/dbraw/zinc/00/62/19/802006219.db2.gz OHVJNDWQFAVECX-QLFBSQMISA-N 3 2 288.395 0.279 20 0 CCADLP C[N@@H+]1C[C@H]2CN(C(=O)c3ccc([C@H]([NH3+])C[NH3+])cc3)C[C@H]2C1 ZINC001160704821 802006227 /nfs/dbraw/zinc/00/62/27/802006227.db2.gz OHVJNDWQFAVECX-QLFBSQMISA-N 3 2 288.395 0.279 20 0 CCADLP C[NH+]1CCC2(CCN(C(=O)C3([NH3+])CC[NH2+]CC3)CC2)CC1 ZINC001160993563 802058373 /nfs/dbraw/zinc/05/83/73/802058373.db2.gz WSUPGGJZEWJGMD-UHFFFAOYSA-N 3 2 294.443 0.402 20 0 CCADLP Cc1cc2c(nc[nH+]c2NCCN2CC[NH2+]CC2=O)[nH]1 ZINC001161019070 802065338 /nfs/dbraw/zinc/06/53/38/802065338.db2.gz JSCJYPIKZRZAOT-UHFFFAOYSA-N 2 2 274.328 0.110 20 0 CCADLP CC(=O)[C@H]1CCN(C(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)C1 ZINC001161037904 802073186 /nfs/dbraw/zinc/07/31/86/802073186.db2.gz BMDJFODNBNUQJV-UONOGXRCSA-N 2 2 275.352 0.696 20 0 CCADLP CN(Cc1cncs1)C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001161064598 802079486 /nfs/dbraw/zinc/07/94/86/802079486.db2.gz MEPXOCVPMZPBBA-SNVBAGLBSA-N 2 2 265.342 0.395 20 0 CCADLP CCN(C(=O)C1CCC(C[NH3+])CC1)C1C[NH+](C)C1 ZINC001161138034 802097735 /nfs/dbraw/zinc/09/77/35/802097735.db2.gz LFFSIEIBCHMXDZ-UHFFFAOYSA-N 2 2 253.390 0.914 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2CC[C@](F)(C[NH3+])C2)cc1 ZINC001161245014 802114927 /nfs/dbraw/zinc/11/49/27/802114927.db2.gz AQQQTYMKQKJBPN-OCCSQVGLSA-N 3 2 280.347 0.158 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])CC(=O)N1CC[N@H+](C)C[C@@H]1C(=O)OC ZINC001161239410 802115516 /nfs/dbraw/zinc/11/55/16/802115516.db2.gz ZXWYZWKWFPTLIM-SDDRHHMPSA-N 2 2 285.388 0.066 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])CC(=O)N1CC[N@@H+](C)C[C@@H]1C(=O)OC ZINC001161239410 802115518 /nfs/dbraw/zinc/11/55/18/802115518.db2.gz ZXWYZWKWFPTLIM-SDDRHHMPSA-N 2 2 285.388 0.066 20 0 CCADLP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CC[N@@H+]2CC[C@H]2C1 ZINC001161423719 802153340 /nfs/dbraw/zinc/15/33/40/802153340.db2.gz KWZNDRQPDSZLKZ-QWRGUYRKSA-N 2 2 255.362 0.045 20 0 CCADLP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CC[N@H+]2CC[C@H]2C1 ZINC001161423719 802153346 /nfs/dbraw/zinc/15/33/46/802153346.db2.gz KWZNDRQPDSZLKZ-QWRGUYRKSA-N 2 2 255.362 0.045 20 0 CCADLP O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CC[N@@H+]2CC[C@H]2C1 ZINC001161424097 802153393 /nfs/dbraw/zinc/15/33/93/802153393.db2.gz YWMYAWZWXIIOCL-GJZGRUSLSA-N 2 2 271.364 0.617 20 0 CCADLP O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CC[N@H+]2CC[C@H]2C1 ZINC001161424097 802153398 /nfs/dbraw/zinc/15/33/98/802153398.db2.gz YWMYAWZWXIIOCL-GJZGRUSLSA-N 2 2 271.364 0.617 20 0 CCADLP C[C@@H](CN1CC[NH2+]CC1)Nc1[nH+]cnc2[nH]ccc21 ZINC001162093641 802274611 /nfs/dbraw/zinc/27/46/11/802274611.db2.gz KZCCUOGPGVVDDZ-JTQLQIEISA-N 2 2 260.345 0.664 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)NCc1ccc[nH+]c1N ZINC001254623814 808267132 /nfs/dbraw/zinc/26/71/32/808267132.db2.gz JEKXEFKKKZUQHV-LLVKDONJSA-N 2 2 263.345 0.557 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)NCc1ccc[nH+]c1N ZINC001254623814 808267138 /nfs/dbraw/zinc/26/71/38/808267138.db2.gz JEKXEFKKKZUQHV-LLVKDONJSA-N 2 2 263.345 0.557 20 0 CCADLP C[NH+](C)Cc1cccc(NC[C@H]2C[N@H+](C)CCO2)n1 ZINC001162683998 802391928 /nfs/dbraw/zinc/39/19/28/802391928.db2.gz QFPOYVOYUGBZPK-ZDUSSCGKSA-N 2 2 264.373 0.886 20 0 CCADLP C[NH+](C)Cc1cccc(NC[C@H]2C[N@@H+](C)CCO2)n1 ZINC001162683998 802391938 /nfs/dbraw/zinc/39/19/38/802391938.db2.gz QFPOYVOYUGBZPK-ZDUSSCGKSA-N 2 2 264.373 0.886 20 0 CCADLP C[N@@H+]1CCO[C@H](CNc2cccnc2OC2C[NH2+]C2)C1 ZINC001162690195 802397917 /nfs/dbraw/zinc/39/79/17/802397917.db2.gz UQTYGOIVBYUXRY-GFCCVEGCSA-N 2 2 278.356 0.175 20 0 CCADLP C[N@H+]1CCO[C@H](CNc2cccnc2OC2C[NH2+]C2)C1 ZINC001162690195 802397926 /nfs/dbraw/zinc/39/79/26/802397926.db2.gz UQTYGOIVBYUXRY-GFCCVEGCSA-N 2 2 278.356 0.175 20 0 CCADLP C1=C[C@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)[C@@H]2C[NH2+]C[C@@H]12 ZINC001162797655 802420838 /nfs/dbraw/zinc/42/08/38/802420838.db2.gz OEZNLFUTIHRJAZ-YUELXQCFSA-N 3 2 285.395 0.677 20 0 CCADLP [NH3+][C@H]1COC[C@H]1Nc1cc[nH+]c(OC2CCOCC2)c1 ZINC001162926451 802439562 /nfs/dbraw/zinc/43/95/62/802439562.db2.gz ULNDQOGNBYQFRU-QWHCGFSZSA-N 2 2 279.340 0.777 20 0 CCADLP Fc1c[nH+]ccc1NCc1nnn2c1C[NH2+]CCC2 ZINC001162972575 802445673 /nfs/dbraw/zinc/44/56/73/802445673.db2.gz YJUCOFSSPKNWOJ-UHFFFAOYSA-N 2 2 262.292 0.340 20 0 CCADLP Nc1cn2ccc(NC[C@]34C[NH2+]C[C@H]3COC4)cc2[nH+]1 ZINC001163152550 802495745 /nfs/dbraw/zinc/49/57/45/802495745.db2.gz BSLISEVLRWIZAJ-HZMBPMFUSA-N 2 2 273.340 0.564 20 0 CCADLP CC1(c2cc[nH+]c(NC[C@@]34C[NH2+][C@@H](CO3)C4)c2)OCCO1 ZINC001163193126 802504289 /nfs/dbraw/zinc/50/42/89/802504289.db2.gz MGDGJZJKMJAADL-IUODEOHRSA-N 2 2 291.351 0.844 20 0 CCADLP O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ccc(Cn3cc[nH+]c3)cn2)N1 ZINC001163240683 802513660 /nfs/dbraw/zinc/51/36/60/802513660.db2.gz ZVZJBIRAYFTUJQ-WFASDCNBSA-N 2 2 298.350 0.316 20 0 CCADLP COCCOc1cc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)cc[nH+]1 ZINC001163251377 802518364 /nfs/dbraw/zinc/51/83/64/802518364.db2.gz AZDZFVJURQSBKN-SMDDNHRTSA-N 2 2 292.339 0.097 20 0 CCADLP NC(=O)c1c[nH]c2nc[nH+]c(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)c12 ZINC001163261788 802524152 /nfs/dbraw/zinc/52/41/52/802524152.db2.gz NRNDIGZQODZCFK-WEDXCCLWSA-N 2 2 286.339 0.467 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCCC[NH2+]CCC ZINC001163274713 802526261 /nfs/dbraw/zinc/52/62/61/802526261.db2.gz DGLYBNSGOCMKTK-AWEZNQCLSA-N 2 2 285.432 0.993 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCCC[NH2+]CCC ZINC001163274713 802526263 /nfs/dbraw/zinc/52/62/63/802526263.db2.gz DGLYBNSGOCMKTK-AWEZNQCLSA-N 2 2 285.432 0.993 20 0 CCADLP Cc1cc(N(C(N)=[NH2+])c2ncnc3c2CC[NH2+]CC3)n[nH]1 ZINC001163508577 802564330 /nfs/dbraw/zinc/56/43/30/802564330.db2.gz XCAYNABSRLGHRT-UHFFFAOYSA-N 2 2 286.343 0.228 20 0 CCADLP Cc1c[nH]c(N2CCC(C[NH3+])CC2)[nH+]c1=NOCC[NH3+] ZINC001164415491 802739302 /nfs/dbraw/zinc/73/93/02/802739302.db2.gz XUXNIWPWHUXCQT-UHFFFAOYSA-N 3 2 280.376 0.262 20 0 CCADLP C[NH+](C)C[C@H]1CCCN1c1cc(N2CCOCC2)[nH+]cn1 ZINC001165073197 802779429 /nfs/dbraw/zinc/77/94/29/802779429.db2.gz WGUKSJSYTFYBQX-CYBMUJFWSA-N 2 2 291.399 0.844 20 0 CCADLP CCN(C)c1cc[nH+]c(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)n1 ZINC001165145580 802787736 /nfs/dbraw/zinc/78/77/36/802787736.db2.gz RQKYRYQGFHZZFP-TXEJJXNPSA-N 2 2 261.373 0.931 20 0 CCADLP CCN(C)c1cc[nH+]c(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)n1 ZINC001165145580 802787740 /nfs/dbraw/zinc/78/77/40/802787740.db2.gz RQKYRYQGFHZZFP-TXEJJXNPSA-N 2 2 261.373 0.931 20 0 CCADLP Cc1[nH+]c2c(n1-c1ncc(F)cc1C(N)=O)CC[NH2+]CC2 ZINC001165355729 802826661 /nfs/dbraw/zinc/82/66/61/802826661.db2.gz WMUWGNPKJQEZPL-UHFFFAOYSA-N 2 2 289.314 0.502 20 0 CCADLP [NH3+][C@H]1[C@H]2CN(c3ccc(Cn4cncn4)c[nH+]3)C[C@@H]12 ZINC001165385230 802832232 /nfs/dbraw/zinc/83/22/32/802832232.db2.gz PEKRSXIFQUFSAV-PTEHBNRSSA-N 2 2 256.313 0.115 20 0 CCADLP Cc1[nH+]cn(-c2ccc(-n3ccnc3CC[NH3+])nn2)c1C ZINC001166299929 802899468 /nfs/dbraw/zinc/89/94/68/802899468.db2.gz UIJMCEVKHHKFMJ-UHFFFAOYSA-N 2 2 283.339 0.966 20 0 CCADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cncc(O)c1 ZINC001276412385 803032787 /nfs/dbraw/zinc/03/27/87/803032787.db2.gz UAUQQFCNPNWFLC-HOTGVXAUSA-N 2 2 290.411 0.997 20 0 CCADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cncc(O)c1 ZINC001276412385 803032793 /nfs/dbraw/zinc/03/27/93/803032793.db2.gz UAUQQFCNPNWFLC-HOTGVXAUSA-N 2 2 290.411 0.997 20 0 CCADLP C[C@H]1C[N@H+](Cc2cn3c(n2)COCC3)C[C@H]1C[NH3+] ZINC001205141231 803121230 /nfs/dbraw/zinc/12/12/30/803121230.db2.gz YYZVMKABEHKXCK-WDEREUQCSA-N 2 2 250.346 0.440 20 0 CCADLP C[C@H]1C[N@@H+](Cc2cn3c(n2)COCC3)C[C@H]1C[NH3+] ZINC001205141231 803121233 /nfs/dbraw/zinc/12/12/33/803121233.db2.gz YYZVMKABEHKXCK-WDEREUQCSA-N 2 2 250.346 0.440 20 0 CCADLP COc1ccoc1C[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205725471 803166359 /nfs/dbraw/zinc/16/63/59/803166359.db2.gz IBAWHMMMZFJJMX-ZDUSSCGKSA-N 2 2 254.330 0.964 20 0 CCADLP COc1ccoc1C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205725471 803166364 /nfs/dbraw/zinc/16/63/64/803166364.db2.gz IBAWHMMMZFJJMX-ZDUSSCGKSA-N 2 2 254.330 0.964 20 0 CCADLP CCOc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1 ZINC001205953111 803190253 /nfs/dbraw/zinc/19/02/53/803190253.db2.gz LPAKDRRBCCTBQW-ZIAGYGMSSA-N 2 2 250.342 0.979 20 0 CCADLP CCOc1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1 ZINC001205953111 803190256 /nfs/dbraw/zinc/19/02/56/803190256.db2.gz LPAKDRRBCCTBQW-ZIAGYGMSSA-N 2 2 250.342 0.979 20 0 CCADLP COC(=O)c1ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1F ZINC001206530875 803261867 /nfs/dbraw/zinc/26/18/67/803261867.db2.gz UBJANMMLIDKLRP-GWCFXTLKSA-N 2 2 282.315 0.364 20 0 CCADLP COC(=O)c1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1F ZINC001206530875 803261871 /nfs/dbraw/zinc/26/18/71/803261871.db2.gz UBJANMMLIDKLRP-GWCFXTLKSA-N 2 2 282.315 0.364 20 0 CCADLP CCOc1cc(OC)ccc1C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206542316 803263837 /nfs/dbraw/zinc/26/38/37/803263837.db2.gz YAVZZCUYBCAJRR-JSGCOSHPSA-N 2 2 280.368 0.845 20 0 CCADLP CCOc1cc(OC)ccc1C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206542316 803263842 /nfs/dbraw/zinc/26/38/42/803263842.db2.gz YAVZZCUYBCAJRR-JSGCOSHPSA-N 2 2 280.368 0.845 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N1CCC(C[NH2+]CCO)CC1 ZINC001206971006 803320454 /nfs/dbraw/zinc/32/04/54/803320454.db2.gz VHINOSFCGUNKJM-UHFFFAOYSA-N 2 2 294.399 0.484 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC(C[NH2+]CCCO)CC1 ZINC001206971980 803320481 /nfs/dbraw/zinc/32/04/81/803320481.db2.gz MIIAEHZXYKBBIL-UHFFFAOYSA-N 2 2 280.372 0.094 20 0 CCADLP Cc1nccc(C[N@H+](C)CCN2CC[NH+](C)CC2)n1 ZINC001207166214 803362481 /nfs/dbraw/zinc/36/24/81/803362481.db2.gz DRRIKYHCJRBVDO-UHFFFAOYSA-N 2 2 263.389 0.464 20 0 CCADLP Cc1nccc(C[N@@H+](C)CCN2CC[NH+](C)CC2)n1 ZINC001207166214 803362485 /nfs/dbraw/zinc/36/24/85/803362485.db2.gz DRRIKYHCJRBVDO-UHFFFAOYSA-N 2 2 263.389 0.464 20 0 CCADLP C[NH+]1CCC(CN2CC[NH+](CCCO)CC2)CC1 ZINC001207395782 803391610 /nfs/dbraw/zinc/39/16/10/803391610.db2.gz XOKQNNGSYRPHGF-UHFFFAOYSA-N 2 2 255.406 0.328 20 0 CCADLP COC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001208300271 803503393 /nfs/dbraw/zinc/50/33/93/803503393.db2.gz XROCATSGOLEOPZ-GXTWGEPZSA-N 2 2 294.399 0.958 20 0 CCADLP COC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001208300271 803503396 /nfs/dbraw/zinc/50/33/96/803503396.db2.gz XROCATSGOLEOPZ-GXTWGEPZSA-N 2 2 294.399 0.958 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208618666 803530269 /nfs/dbraw/zinc/53/02/69/803530269.db2.gz RAHALTPJGLMPOF-HUUCEWRRSA-N 3 2 296.459 0.470 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208618666 803530270 /nfs/dbraw/zinc/53/02/70/803530270.db2.gz RAHALTPJGLMPOF-HUUCEWRRSA-N 3 2 296.459 0.470 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[NH+](C[C@@H]2CCC[N@H+](C)C2)C1 ZINC001208618666 803530274 /nfs/dbraw/zinc/53/02/74/803530274.db2.gz RAHALTPJGLMPOF-HUUCEWRRSA-N 3 2 296.459 0.470 20 0 CCADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3cncnc3)CC2)C1 ZINC001208618287 803530292 /nfs/dbraw/zinc/53/02/92/803530292.db2.gz VJMHLIOFRPTPPC-CQSZACIVSA-N 2 2 275.400 0.940 20 0 CCADLP C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3cncnc3)CC2)C1 ZINC001208618287 803530295 /nfs/dbraw/zinc/53/02/95/803530295.db2.gz VJMHLIOFRPTPPC-CQSZACIVSA-N 2 2 275.400 0.940 20 0 CCADLP C[NH+]1CCN(C2C[NH+](C[C@@H]3CCC=CO3)C2)CC1 ZINC001208886708 803552491 /nfs/dbraw/zinc/55/24/91/803552491.db2.gz YFCVPIICZZRIAW-AWEZNQCLSA-N 2 2 251.374 0.611 20 0 CCADLP CCC(=O)C(C)(C)C[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001208921854 803553769 /nfs/dbraw/zinc/55/37/69/803553769.db2.gz IYCSKUFNBNOTMW-UHFFFAOYSA-N 2 2 267.417 0.923 20 0 CCADLP CCOC(=O)CC[N@H+](CCOC)C1CC[NH+](C)CC1 ZINC001209035307 803568083 /nfs/dbraw/zinc/56/80/83/803568083.db2.gz PDHBUBWVLGZWSU-UHFFFAOYSA-N 2 2 272.389 0.982 20 0 CCADLP CCOC(=O)CC[N@@H+](CCOC)C1CC[NH+](C)CC1 ZINC001209035307 803568088 /nfs/dbraw/zinc/56/80/88/803568088.db2.gz PDHBUBWVLGZWSU-UHFFFAOYSA-N 2 2 272.389 0.982 20 0 CCADLP COCC[NH2+][C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001210305016 803646992 /nfs/dbraw/zinc/64/69/92/803646992.db2.gz RQPXEWBTYCRLRD-LLVKDONJSA-N 2 2 266.345 0.179 20 0 CCADLP [NH3+]C[C@H](O)c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001211414420 803680560 /nfs/dbraw/zinc/68/05/60/803680560.db2.gz PCXJAVSILNOWHF-NSHDSACASA-N 2 2 271.280 0.914 20 0 CCADLP CO[C@@H]1C[N@@H+](CC2CC2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213241410 803686168 /nfs/dbraw/zinc/68/61/68/803686168.db2.gz AWEJAOFBFKKSDJ-ZIAGYGMSSA-N 2 2 292.383 0.499 20 0 CCADLP CO[C@@H]1C[N@H+](C(C)C)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213239729 803686428 /nfs/dbraw/zinc/68/64/28/803686428.db2.gz YIFMGFXCYSPEGH-CHWSQXEVSA-N 2 2 280.372 0.497 20 0 CCADLP CCCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001213980060 803708570 /nfs/dbraw/zinc/70/85/70/803708570.db2.gz XLZHFLLPJAOATN-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP CCCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](OC)C1 ZINC001213980060 803708571 /nfs/dbraw/zinc/70/85/71/803708571.db2.gz XLZHFLLPJAOATN-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215680697 803823894 /nfs/dbraw/zinc/82/38/94/803823894.db2.gz JNCXOWBUNKRKST-NTZNESFSSA-N 2 2 280.372 0.424 20 0 CCADLP COCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC001215855664 803827022 /nfs/dbraw/zinc/82/70/22/803827022.db2.gz VFRBQEPGKJYVGJ-YRGRVCCFSA-N 2 2 294.399 0.671 20 0 CCADLP COCC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215855664 803827039 /nfs/dbraw/zinc/82/70/39/803827039.db2.gz VFRBQEPGKJYVGJ-YRGRVCCFSA-N 2 2 294.399 0.671 20 0 CCADLP CCOCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001216569858 803845075 /nfs/dbraw/zinc/84/50/75/803845075.db2.gz QXVQSIZOXALZIZ-BXUZGUMPSA-N 2 2 294.399 0.734 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2nc3ccccc3s2)C1 ZINC001218496722 803962529 /nfs/dbraw/zinc/96/25/29/803962529.db2.gz ITVANMCRTFZMMD-APPZFPTMSA-N 2 2 262.338 0.924 20 0 CCADLP O=C(Nc1cccc2[nH+]ccn21)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218498063 803964494 /nfs/dbraw/zinc/96/44/94/803964494.db2.gz RJKCIHMDEUZCTD-SNVBAGLBSA-N 3 2 271.324 0.082 20 0 CCADLP NC1(C(=O)Nc2cccc3[nH+]ccn32)CC[NH2+]CC1 ZINC001218499382 803965655 /nfs/dbraw/zinc/96/56/55/803965655.db2.gz UTGJOCCKJDOFFL-UHFFFAOYSA-N 2 2 259.313 0.354 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)Nc2noc3nccnc23)cc1 ZINC001218573967 804016817 /nfs/dbraw/zinc/01/68/17/804016817.db2.gz CRAGJPUEIWMVQD-JTQLQIEISA-N 2 2 298.306 0.829 20 0 CCADLP Cn1ncc2cc(NC(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)cnc21 ZINC001218615073 804035973 /nfs/dbraw/zinc/03/59/73/804035973.db2.gz LQTGUCCFHCAHBU-GYSYKLTISA-N 2 2 286.339 0.129 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cnc2ccccc2n1 ZINC001218652595 804063123 /nfs/dbraw/zinc/06/31/23/804063123.db2.gz HYFYOLRNSFNJNO-JTQLQIEISA-N 2 2 282.307 0.861 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cnnc2ccc(Cl)cc21 ZINC001218699772 804085055 /nfs/dbraw/zinc/08/50/55/804085055.db2.gz GAXFALOIADXAHL-UWVGGRQHSA-N 2 2 291.742 0.768 20 0 CCADLP COc1nc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc2ccccc21 ZINC001218761582 804113740 /nfs/dbraw/zinc/11/37/40/804113740.db2.gz VAIQOXXYHKYAHS-RYUDHWBXSA-N 2 2 286.335 0.729 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cc(-c2ccccc2)cnn1 ZINC001218779394 804117349 /nfs/dbraw/zinc/11/73/49/804117349.db2.gz XUQCLUCXZVZTBU-LBPRGKRZSA-N 2 2 271.324 0.758 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1ccn2ccnc2c1 ZINC001218787254 804119507 /nfs/dbraw/zinc/11/95/07/804119507.db2.gz BHXJRIDKEFYSBE-UHFFFAOYSA-N 2 2 273.340 0.614 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccccc1-n1cccn1 ZINC001218818399 804132398 /nfs/dbraw/zinc/13/23/98/804132398.db2.gz XYACMKFFSMPKGL-QWRGUYRKSA-N 2 2 271.324 0.358 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1ccc2[nH][nH]c(=O)c2c1 ZINC001218875202 804143604 /nfs/dbraw/zinc/14/36/04/804143604.db2.gz MRIXFWBDMYSXCZ-UHFFFAOYSA-N 2 2 289.339 0.549 20 0 CCADLP CN(C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)c1ccccc1N ZINC001218883695 804145442 /nfs/dbraw/zinc/14/54/42/804145442.db2.gz VHWULPKLKLAULI-GYSYKLTISA-N 2 2 260.341 0.453 20 0 CCADLP Cc1ccc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)cc1O ZINC001218896968 804151388 /nfs/dbraw/zinc/15/13/88/804151388.db2.gz DPGDBRGSOSYTBS-GYSYKLTISA-N 2 2 261.325 0.861 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc(C2OCCO2)cc1 ZINC001218910015 804152888 /nfs/dbraw/zinc/15/28/88/804152888.db2.gz ARSCYJMGPPMSTG-NSHDSACASA-N 2 2 265.313 0.347 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCCc2cc(N)ccc21 ZINC001219266447 804253806 /nfs/dbraw/zinc/25/38/06/804253806.db2.gz JYUXLCADLVYAFV-AWEZNQCLSA-N 2 2 299.378 0.852 20 0 CCADLP COCCOc1c(F)cccc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001219307199 804264675 /nfs/dbraw/zinc/26/46/75/804264675.db2.gz QSWFOLWCZHFZGB-ONGXEEELSA-N 2 2 297.330 0.336 20 0 CCADLP COC(=O)[C@@H]1C[C@H](C(=O)Nc2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC001219347895 804280613 /nfs/dbraw/zinc/28/06/13/804280613.db2.gz UMMXQPJUFJZJBQ-YPMHNXCESA-N 2 2 291.351 0.625 20 0 CCADLP COc1cc2[nH]ccc2c(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c1 ZINC001219361166 804285246 /nfs/dbraw/zinc/28/52/46/804285246.db2.gz ZBZDKGVEYMIZFJ-OQPBUACISA-N 2 2 274.324 0.804 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)[C@H](c2ccccc2)C1 ZINC000312379717 804322610 /nfs/dbraw/zinc/32/26/10/804322610.db2.gz NXIYYHUGJHDJRO-KKUMJFAQSA-N 2 2 289.379 0.225 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)[C@H](c2ccccc2)C1 ZINC000312379717 804322620 /nfs/dbraw/zinc/32/26/20/804322620.db2.gz NXIYYHUGJHDJRO-KKUMJFAQSA-N 2 2 289.379 0.225 20 0 CCADLP [NH3+][C@H](C(=O)NCCn1cc[nH+]c1)c1ccsc1 ZINC001219563582 804349239 /nfs/dbraw/zinc/34/92/39/804349239.db2.gz BGDZCQORTCSBPE-JTQLQIEISA-N 2 2 250.327 0.761 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)[C@@H]2C[C@@H](OC(C)(C)C)C[NH2+]2)c1 ZINC001219634410 804383911 /nfs/dbraw/zinc/38/39/11/804383911.db2.gz WUDBECRVSHOEOI-OLZOCXBDSA-N 2 2 294.399 0.624 20 0 CCADLP C[C@@H]1CCCC[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219673630 804401560 /nfs/dbraw/zinc/40/15/60/804401560.db2.gz LKTRXCUGIYZMGB-BHPKHCPMSA-N 2 2 265.401 0.880 20 0 CCADLP C[C@@H](NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)c1cnc2ccccn21 ZINC001219700866 804407883 /nfs/dbraw/zinc/40/78/83/804407883.db2.gz GZFUOHQZSLSROY-WQGACYEGSA-N 2 2 299.378 0.463 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NC[C@]2(F)CCC[NH2+]C2)cc1 ZINC001219770531 804419907 /nfs/dbraw/zinc/41/99/07/804419907.db2.gz AGHRKQXQOULHDA-HIFRSBDPSA-N 3 2 294.374 0.467 20 0 CCADLP CCOC(=O)CC(=N)NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001219882835 804439923 /nfs/dbraw/zinc/43/99/23/804439923.db2.gz ORJFZRXWTAFRAT-LLVKDONJSA-N 2 2 292.339 0.305 20 0 CCADLP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c1 ZINC001219943735 804453250 /nfs/dbraw/zinc/45/32/50/804453250.db2.gz WTQJKUVXCYIFLF-KGLIPLIRSA-N 3 2 276.384 0.054 20 0 CCADLP [NH3+]C1(C(=O)NCCCc2ccncc2)CC[NH2+]CC1 ZINC001219981104 804465186 /nfs/dbraw/zinc/46/51/86/804465186.db2.gz XCMNZVKLSXLABZ-UHFFFAOYSA-N 2 2 262.357 0.211 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2cc(Cl)nc(Cl)c2)C1 ZINC001220069824 804494493 /nfs/dbraw/zinc/49/44/93/804494493.db2.gz OAUHPRIRTXYFJB-SFYZADRCSA-N 2 2 289.166 0.694 20 0 CCADLP CCCCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220106000 804501892 /nfs/dbraw/zinc/50/18/92/804501892.db2.gz WFGMFZKKDNMEMO-KGLIPLIRSA-N 2 2 294.399 0.625 20 0 CCADLP CCCCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220106000 804501895 /nfs/dbraw/zinc/50/18/95/804501895.db2.gz WFGMFZKKDNMEMO-KGLIPLIRSA-N 2 2 294.399 0.625 20 0 CCADLP Cn1cc2cccc(CNC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)c2n1 ZINC001220143743 804512834 /nfs/dbraw/zinc/51/28/34/804512834.db2.gz SWXKGKMQFITJTE-ZDUSSCGKSA-N 2 2 298.350 0.483 20 0 CCADLP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220220780 804541108 /nfs/dbraw/zinc/54/11/08/804541108.db2.gz FBTQJXNGCVRWBB-AVGNSLFASA-N 3 2 279.388 0.269 20 0 CCADLP C[NH+](C)CC(C)(C)CNC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220254150 804551320 /nfs/dbraw/zinc/55/13/20/804551320.db2.gz KGONKZPPYGKEDP-AWEZNQCLSA-N 3 2 292.427 0.963 20 0 CCADLP Cc1[nH+]c[nH]c1CSCCNC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220257381 804553762 /nfs/dbraw/zinc/55/37/62/804553762.db2.gz WYAWWUKHJVKPMR-NSHDSACASA-N 3 2 299.444 0.524 20 0 CCADLP Cc1ccc([C@H](C)NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)nc1 ZINC001220265970 804554760 /nfs/dbraw/zinc/55/47/60/804554760.db2.gz DZJMGRPTQCSWDU-AAEUAGOBSA-N 2 2 287.367 0.871 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)[C@@H]([NH3+])CC1CCC1 ZINC001220274727 804557796 /nfs/dbraw/zinc/55/77/96/804557796.db2.gz OMAPEGDVIZCGAC-ZDUSSCGKSA-N 2 2 280.372 0.663 20 0 CCADLP [NH3+]Cc1ccccc1C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001220290839 804564282 /nfs/dbraw/zinc/56/42/82/804564282.db2.gz FVJSCLHLCUXBDT-GFCCVEGCSA-N 2 2 274.324 0.202 20 0 CCADLP [NH3+]Cc1ccccc1C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001220290839 804564290 /nfs/dbraw/zinc/56/42/90/804564290.db2.gz FVJSCLHLCUXBDT-GFCCVEGCSA-N 2 2 274.324 0.202 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[Si](C)(C)C ZINC001220415826 804598161 /nfs/dbraw/zinc/59/81/61/804598161.db2.gz YPPOCWSCSIVHSY-JTQLQIEISA-N 2 2 254.410 0.284 20 0 CCADLP CC(C)C[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001220442045 804605057 /nfs/dbraw/zinc/60/50/57/804605057.db2.gz WIVMLYWVMYOAIQ-MJBXVCDLSA-N 2 2 294.399 0.652 20 0 CCADLP CC(C)C[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001220442045 804605062 /nfs/dbraw/zinc/60/50/62/804605062.db2.gz WIVMLYWVMYOAIQ-MJBXVCDLSA-N 2 2 294.399 0.652 20 0 CCADLP C[C@@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)c1ncc(F)cn1 ZINC001220599137 804636496 /nfs/dbraw/zinc/63/64/96/804636496.db2.gz MRNDUUYDXHKXKV-XCBNKYQSSA-N 2 2 278.291 0.086 20 0 CCADLP CC[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])c1ccccc1OC ZINC001220635840 804641260 /nfs/dbraw/zinc/64/12/60/804641260.db2.gz RGKLYOYXQWWBKL-AVGNSLFASA-N 2 2 277.368 0.809 20 0 CCADLP O=C(N[C@@H]1COCc2ccccc21)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220658804 804643918 /nfs/dbraw/zinc/64/39/18/804643918.db2.gz XREONGPRKCEJSB-XNRPHZJLSA-N 2 2 287.363 0.326 20 0 CCADLP [NH3+]C1(C(=O)NCc2cc(F)cnc2Cl)CC[NH2+]CC1 ZINC001220810298 804671693 /nfs/dbraw/zinc/67/16/93/804671693.db2.gz BATIYEZGRFYFSW-UHFFFAOYSA-N 2 2 286.738 0.571 20 0 CCADLP O=C(NCc1ccc(O)cc1F)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220821520 804673073 /nfs/dbraw/zinc/67/30/73/804673073.db2.gz MVBBLRWYBTTZCB-HZMBPMFUSA-N 2 2 279.315 0.099 20 0 CCADLP O=C(NC1(C(F)(F)F)CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220838536 804678550 /nfs/dbraw/zinc/67/85/50/804678550.db2.gz TXNPFJWZJLKHFI-GMSGAONNSA-N 2 2 263.263 0.149 20 0 CCADLP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H]1C[NH2+]CC(F)(F)C1 ZINC001220857463 804682349 /nfs/dbraw/zinc/68/23/49/804682349.db2.gz DFAGVSPUMBNKCL-BDAKNGLRSA-N 2 2 263.332 0.721 20 0 CCADLP [NH3+]C1(C(=O)N[C@H](c2cncc(F)c2)C2CC2)CC[NH2+]CC1 ZINC001221049307 804723373 /nfs/dbraw/zinc/72/33/73/804723373.db2.gz RZMZTAFIWVQBBW-ZDUSSCGKSA-N 2 2 292.358 0.869 20 0 CCADLP CC(C)n1ccc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)cc1=O ZINC001221151761 804737815 /nfs/dbraw/zinc/73/78/15/804737815.db2.gz LINBMUYMMYQMDS-JMSVASOKSA-N 2 2 290.367 0.590 20 0 CCADLP CC(C)(CNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)CC1CC1 ZINC001221166680 804738814 /nfs/dbraw/zinc/73/88/14/804738814.db2.gz KAZPXYSHDWSITK-RWMBFGLXSA-N 2 2 265.401 0.879 20 0 CCADLP COC(=O)[C@@H]([NH3+])CC(=O)N(CC(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221188166 804742278 /nfs/dbraw/zinc/74/22/78/804742278.db2.gz QEOVGHXSWORZKW-AVGNSLFASA-N 2 2 299.415 0.631 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](NC(=O)C2([NH3+])CC[NH2+]CC2)[C@@H](C)C1 ZINC001221405570 804805197 /nfs/dbraw/zinc/80/51/97/804805197.db2.gz BBVZIOIXTQACRT-STQMWFEESA-N 3 2 282.432 0.302 20 0 CCADLP CC(C)[N@H+]1CC[C@H](NC(=O)C2([NH3+])CC[NH2+]CC2)[C@@H](C)C1 ZINC001221405570 804805206 /nfs/dbraw/zinc/80/52/06/804805206.db2.gz BBVZIOIXTQACRT-STQMWFEESA-N 3 2 282.432 0.302 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001221407783 804806969 /nfs/dbraw/zinc/80/69/69/804806969.db2.gz MQFOKRUUCBJDEZ-BNOWGMLFSA-N 3 2 293.415 0.515 20 0 CCADLP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001221407783 804806980 /nfs/dbraw/zinc/80/69/80/804806980.db2.gz MQFOKRUUCBJDEZ-BNOWGMLFSA-N 3 2 293.415 0.515 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N1CCC[C@H]([NH2+]CCCO)C1 ZINC001222092562 804866710 /nfs/dbraw/zinc/86/67/10/804866710.db2.gz SHXCKGJJZXOVIK-AWEZNQCLSA-N 2 2 294.399 0.626 20 0 CCADLP CCCn1cnc(CN2CC[NH2+]C3(CC[NH2+]CC3)C2)c1 ZINC001222099717 804869129 /nfs/dbraw/zinc/86/91/29/804869129.db2.gz JUBIUFXYDNOAFI-UHFFFAOYSA-N 2 2 277.416 0.821 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H]1C ZINC001088635566 815045966 /nfs/dbraw/zinc/04/59/66/815045966.db2.gz CRZIVRSHPLKXPZ-LPWJVIDDSA-N 2 2 292.383 0.739 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H]1C ZINC001088635566 815045972 /nfs/dbraw/zinc/04/59/72/815045972.db2.gz CRZIVRSHPLKXPZ-LPWJVIDDSA-N 2 2 292.383 0.739 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](OCC[NH+]2CCN(C)CC2)C1 ZINC001224552907 805051792 /nfs/dbraw/zinc/05/17/92/805051792.db2.gz UDYZJNCZZAYHMX-AWEZNQCLSA-N 2 2 255.406 0.733 20 0 CCADLP CC(C)[N@H+]1CC[C@H](OCC[NH+]2CCN(C)CC2)C1 ZINC001224552907 805051800 /nfs/dbraw/zinc/05/18/00/805051800.db2.gz UDYZJNCZZAYHMX-AWEZNQCLSA-N 2 2 255.406 0.733 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC1CC[NH+](CCCO)CC1 ZINC001227715401 805384233 /nfs/dbraw/zinc/38/42/33/805384233.db2.gz WVVXGZVUXXWVSO-UHFFFAOYSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC1CC[NH+](CCCO)CC1 ZINC001227715401 805384243 /nfs/dbraw/zinc/38/42/43/805384243.db2.gz WVVXGZVUXXWVSO-UHFFFAOYSA-N 2 2 280.372 0.305 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001227839465 805396135 /nfs/dbraw/zinc/39/61/35/805396135.db2.gz CSTJTJFGAHVBGU-MGPQQGTHSA-N 2 2 294.399 0.671 20 0 CCADLP COC(=O)[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@@H](C)O ZINC001168295032 815081112 /nfs/dbraw/zinc/08/11/12/815081112.db2.gz QCZMIOCHBTVLEA-YYJSSNLHSA-N 2 2 258.362 0.371 20 0 CCADLP Cc1cc(N)[nH+]cc1-c1ccnc(N2CC[NH2+]CC2)n1 ZINC001242070711 806991563 /nfs/dbraw/zinc/99/15/63/806991563.db2.gz KIPREQVOQCWKKT-UHFFFAOYSA-N 2 2 270.340 0.839 20 0 CCADLP C[C@@](O)(C[NH2+]C[C@H]1CCC[NH2+]1)C(=O)OCc1ccccc1 ZINC001245983046 807107083 /nfs/dbraw/zinc/10/70/83/807107083.db2.gz RLPQPKMPXOKADK-GDBMZVCRSA-N 2 2 292.379 0.822 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@H]1C[NH2+]CC[C@H]1C ZINC001245986850 807108607 /nfs/dbraw/zinc/10/86/07/807108607.db2.gz ZXXRTZYGDSTEOR-MGPQQGTHSA-N 3 2 257.422 0.524 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001246027196 807125695 /nfs/dbraw/zinc/12/56/95/807125695.db2.gz XCFFYRGNGVIUKG-JHJVBQTASA-N 2 2 254.305 0.253 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(F)cc2)C[C@H]1O ZINC001246027196 807125700 /nfs/dbraw/zinc/12/57/00/807125700.db2.gz XCFFYRGNGVIUKG-JHJVBQTASA-N 2 2 254.305 0.253 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)CCN1 ZINC001246080941 807145289 /nfs/dbraw/zinc/14/52/89/807145289.db2.gz QLACUOWNTWGDFS-USZNOCQGSA-N 2 2 255.362 0.010 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[NH2+]C[C@@H]1CC[C@@H](C)C[NH2+]1 ZINC001246110253 807154998 /nfs/dbraw/zinc/15/49/98/807154998.db2.gz HULYXLJJRNHSBU-MCIONIFRSA-N 2 2 283.416 0.602 20 0 CCADLP C[N@@H+]1CCC[C@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001246142605 807164972 /nfs/dbraw/zinc/16/49/72/807164972.db2.gz JKAVPCSKCJMZFZ-LSDHHAIUSA-N 3 2 280.460 0.935 20 0 CCADLP C[N@H+]1CCC[C@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001246142605 807164973 /nfs/dbraw/zinc/16/49/73/807164973.db2.gz JKAVPCSKCJMZFZ-LSDHHAIUSA-N 3 2 280.460 0.935 20 0 CCADLP CCOC(=O)CC[C@H](C)[NH2+][C@@H](CCCC[NH3+])C(=O)OC ZINC001246151607 807168801 /nfs/dbraw/zinc/16/88/01/807168801.db2.gz JWYBVZNSOFDFQL-RYUDHWBXSA-N 2 2 288.388 0.978 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CN1 ZINC001246249838 807198966 /nfs/dbraw/zinc/19/89/66/807198966.db2.gz RQLDYLLODAXPLM-AAEUAGOBSA-N 2 2 267.373 0.106 20 0 CCADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246256984 807199945 /nfs/dbraw/zinc/19/99/45/807199945.db2.gz RAUSELASHAYGCS-GJZGRUSLSA-N 3 2 280.460 0.790 20 0 CCADLP CCC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)[C@H](O)C(=O)NC1CC1 ZINC001246289871 807208133 /nfs/dbraw/zinc/20/81/33/807208133.db2.gz CFAGWJTXGOQDJQ-GHYVTOPFSA-N 2 2 283.416 0.525 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@H]1[NH2+]C1CCN(c2cccc(F)c2)CC1 ZINC001246299293 807211564 /nfs/dbraw/zinc/21/15/64/807211564.db2.gz KUZBVGAREWMXSC-BLLLJJGKSA-N 2 2 293.386 0.964 20 0 CCADLP CCOC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2CO)C1 ZINC001246296645 807211910 /nfs/dbraw/zinc/21/19/10/807211910.db2.gz BOUJYQBYXOTWOY-MROQNXINSA-N 2 2 270.373 0.278 20 0 CCADLP O=C1CC[NH2+]C[C@H]1N[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001246296558 807212889 /nfs/dbraw/zinc/21/28/89/807212889.db2.gz XOHZYLYLNADIRL-TZMCWYRMSA-N 2 2 265.401 0.914 20 0 CCADLP O=C1CC[NH2+]C[C@H]1N[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001246296558 807212893 /nfs/dbraw/zinc/21/28/93/807212893.db2.gz XOHZYLYLNADIRL-TZMCWYRMSA-N 2 2 265.401 0.914 20 0 CCADLP COC(=O)c1ccc(C[C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2CO)cc1 ZINC001246305884 807217410 /nfs/dbraw/zinc/21/74/10/807217410.db2.gz JWKYODCPTQCPLY-TUKIKUTGSA-N 2 2 292.379 0.574 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N2C[C@@H](C[NH3+])c3ccccc32)C[NH2+]1 ZINC001246322120 807220570 /nfs/dbraw/zinc/22/05/70/807220570.db2.gz FKMRPPOPEABWCH-WZRBSPASSA-N 2 2 275.352 0.452 20 0 CCADLP C[C@@H]1C[C@@H](n2c[nH+]cc2CCNC(=O)CC[NH3+])CC[NH2+]1 ZINC001246321977 807221473 /nfs/dbraw/zinc/22/14/73/807221473.db2.gz FDVMSJUXPVTSKY-NEPJUHHUSA-N 3 2 279.388 0.204 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)CN1 ZINC001246331938 807223487 /nfs/dbraw/zinc/22/34/87/807223487.db2.gz OYZBYRBQJZXGDW-CYDGBPFRSA-N 2 2 269.389 0.258 20 0 CCADLP C1C[C@@]2(C[NH2+]1)OCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246331154 807223992 /nfs/dbraw/zinc/22/39/92/807223992.db2.gz DEMGPOVSRIWUOM-YJBUHQLJSA-N 3 2 251.374 0.380 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N[C@H]2CC[NH2+]C[C@@H]2C(F)(F)F)C[NH2+]1 ZINC001246339844 807225807 /nfs/dbraw/zinc/22/58/07/807225807.db2.gz FMPOIKRUJSVKAT-XKNYDFJKSA-N 2 2 295.305 0.020 20 0 CCADLP CCOC(=O)[C@H](N)C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246415532 807247740 /nfs/dbraw/zinc/24/77/40/807247740.db2.gz DIFVUIUJPLTNRA-RRFJBIMHSA-N 2 2 291.395 0.960 20 0 CCADLP CCOC(=O)CC[C@@H](C)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246450894 807252978 /nfs/dbraw/zinc/25/29/78/807252978.db2.gz DLYNLWQPWRCUHO-GFCCVEGCSA-N 3 2 259.394 0.636 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H]([NH3+])[C@H]2C)C[C@H]1C(=O)OC ZINC001246548411 807282189 /nfs/dbraw/zinc/28/21/89/807282189.db2.gz IFSLLTXHLJAZCG-SYLRKERUSA-N 2 2 298.383 0.539 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]([NH3+])[C@H]2C)C[C@H]1C(=O)OC ZINC001246548411 807282195 /nfs/dbraw/zinc/28/21/95/807282195.db2.gz IFSLLTXHLJAZCG-SYLRKERUSA-N 2 2 298.383 0.539 20 0 CCADLP COCCC[NH+]1CCC([N@@H+]2CCCC[C@@](O)(C[NH3+])C2)CC1 ZINC001246556119 807286746 /nfs/dbraw/zinc/28/67/46/807286746.db2.gz CXOVNCFQEQHECE-MRXNPFEDSA-N 3 2 299.459 0.663 20 0 CCADLP COCCC[NH+]1CCC([N@H+]2CCCC[C@@](O)(C[NH3+])C2)CC1 ZINC001246556119 807286748 /nfs/dbraw/zinc/28/67/48/807286748.db2.gz CXOVNCFQEQHECE-MRXNPFEDSA-N 3 2 299.459 0.663 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@@H+]([C@@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC001246555514 807286883 /nfs/dbraw/zinc/28/68/83/807286883.db2.gz BUAVTHXKXRWDLJ-HIFRSBDPSA-N 3 2 267.417 0.837 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@H+]([C@@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC001246555514 807286886 /nfs/dbraw/zinc/28/68/86/807286886.db2.gz BUAVTHXKXRWDLJ-HIFRSBDPSA-N 3 2 267.417 0.837 20 0 CCADLP COC(=O)[C@H]1CCC[C@@H]([N@@H+]2C[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246558875 807287550 /nfs/dbraw/zinc/28/75/50/807287550.db2.gz RNRIRWUWEQULNU-IRCOFANPSA-N 2 2 256.346 0.112 20 0 CCADLP COC(=O)[C@H]1CCC[C@@H]([N@H+]2C[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246558875 807287556 /nfs/dbraw/zinc/28/75/56/807287556.db2.gz RNRIRWUWEQULNU-IRCOFANPSA-N 2 2 256.346 0.112 20 0 CCADLP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@](O)(C[NH3+])C2)C[C@H](C)[NH2+]1 ZINC001246559996 807288500 /nfs/dbraw/zinc/28/85/00/807288500.db2.gz OQZFHFMSDXMSAE-CRWXNKLISA-N 3 2 255.406 0.691 20 0 CCADLP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@](O)(C[NH3+])C2)C[C@H](C)[NH2+]1 ZINC001246559996 807288505 /nfs/dbraw/zinc/28/85/05/807288505.db2.gz OQZFHFMSDXMSAE-CRWXNKLISA-N 3 2 255.406 0.691 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCC[C@](O)(C[NH3+])C1)C2 ZINC001246558991 807288906 /nfs/dbraw/zinc/28/89/06/807288906.db2.gz MSYJTYRUNUVHQK-XGUBFFRZSA-N 3 2 267.417 0.787 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCC[C@](O)(C[NH3+])C1)C2 ZINC001246558991 807288910 /nfs/dbraw/zinc/28/89/10/807288910.db2.gz MSYJTYRUNUVHQK-XGUBFFRZSA-N 3 2 267.417 0.787 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCC[C@](O)(C[NH3+])C1)C2 ZINC001246558991 807288915 /nfs/dbraw/zinc/28/89/15/807288915.db2.gz MSYJTYRUNUVHQK-XGUBFFRZSA-N 3 2 267.417 0.787 20 0 CCADLP [NH3+]C[C@]1(F)CCCC[N@@H+]([C@H]2CSC3(C[NH2+]C3)C2)C1 ZINC001246574222 807298533 /nfs/dbraw/zinc/29/85/33/807298533.db2.gz FPJPZNNOHSUJMN-VXGBXAGGSA-N 3 2 273.421 0.987 20 0 CCADLP [NH3+]C[C@]1(F)CCCC[N@H+]([C@H]2CSC3(C[NH2+]C3)C2)C1 ZINC001246574222 807298540 /nfs/dbraw/zinc/29/85/40/807298540.db2.gz FPJPZNNOHSUJMN-VXGBXAGGSA-N 3 2 273.421 0.987 20 0 CCADLP [NH3+][C@@H]1CN(C2C[C@@H]3COC[C@H](C2)[NH2+]3)CCC1(F)F ZINC001246582871 807301736 /nfs/dbraw/zinc/30/17/36/807301736.db2.gz OJBBRZAOHPXMRA-KJLIAQIISA-N 2 2 261.316 0.174 20 0 CCADLP CCOC(=O)[C@H]1CC2(C[N@@H+]1[C@@H](C)CC[NH2+]C)CC[NH2+]CC2 ZINC001246608797 807322128 /nfs/dbraw/zinc/32/21/28/807322128.db2.gz JVTBVAKDFAVTAL-UONOGXRCSA-N 3 2 297.443 0.992 20 0 CCADLP CCOC(=O)[C@H]1CC2(C[N@H+]1[C@@H](C)CC[NH2+]C)CC[NH2+]CC2 ZINC001246608797 807322134 /nfs/dbraw/zinc/32/21/34/807322134.db2.gz JVTBVAKDFAVTAL-UONOGXRCSA-N 3 2 297.443 0.992 20 0 CCADLP C[C@@H]1CC[C@H]([N@@H+]2CCOCC3(CC[NH2+]CC3)C2)C[NH2+]1 ZINC001246611421 807324552 /nfs/dbraw/zinc/32/45/52/807324552.db2.gz GHFPRNCLNNIEME-KGLIPLIRSA-N 3 2 267.417 0.829 20 0 CCADLP C[C@@H]1CC[C@H]([N@H+]2CCOCC3(CC[NH2+]CC3)C2)C[NH2+]1 ZINC001246611421 807324561 /nfs/dbraw/zinc/32/45/61/807324561.db2.gz GHFPRNCLNNIEME-KGLIPLIRSA-N 3 2 267.417 0.829 20 0 CCADLP C[C@@H]1C[C@@H]([N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)C[C@H](C)[NH2+]1 ZINC001246640403 807339668 /nfs/dbraw/zinc/33/96/68/807339668.db2.gz GIEHYBHQSPCQPL-CRWXNKLISA-N 3 2 252.406 0.153 20 0 CCADLP C[C@@H]1C[C@@H]([N@H+]2CCN[C@]3(CC[NH2+]C3)C2)C[C@H](C)[NH2+]1 ZINC001246640403 807339677 /nfs/dbraw/zinc/33/96/77/807339677.db2.gz GIEHYBHQSPCQPL-CRWXNKLISA-N 3 2 252.406 0.153 20 0 CCADLP OC[C@H]1C[C@@H]2[C@H](C1)OCC[N@H+]2C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246654322 807347924 /nfs/dbraw/zinc/34/79/24/807347924.db2.gz JXTYLFPKFQPGHR-WRQLNJJISA-N 2 2 266.385 0.741 20 0 CCADLP OC[C@H]1C[C@@H]2[C@H](C1)OCC[N@@H+]2C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246654322 807347933 /nfs/dbraw/zinc/34/79/33/807347933.db2.gz JXTYLFPKFQPGHR-WRQLNJJISA-N 2 2 266.385 0.741 20 0 CCADLP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@@H+](C1CC[NH2+]CC1)C2 ZINC001246653525 807348080 /nfs/dbraw/zinc/34/80/80/807348080.db2.gz FQCQCVDEEJDUTG-ONGXEEELSA-N 3 2 263.307 0.822 20 0 CCADLP FC(F)(F)[C@]12C[NH2+]C[C@H]1C[N@H+](C1CC[NH2+]CC1)C2 ZINC001246653525 807348089 /nfs/dbraw/zinc/34/80/89/807348089.db2.gz FQCQCVDEEJDUTG-ONGXEEELSA-N 3 2 263.307 0.822 20 0 CCADLP C[C@@H]1CC[C@H]([N@@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)C[NH2+]1 ZINC001246684150 807354024 /nfs/dbraw/zinc/35/40/24/807354024.db2.gz KZZKNYGSYDKTJI-UXXRCYHCSA-N 3 2 265.401 0.580 20 0 CCADLP C[C@@H]1CC[C@H]([N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)C[NH2+]1 ZINC001246684150 807354032 /nfs/dbraw/zinc/35/40/32/807354032.db2.gz KZZKNYGSYDKTJI-UXXRCYHCSA-N 3 2 265.401 0.580 20 0 CCADLP CN1C[C@@]2(CC1=O)CCCC[N@@H+]2[C@H]1CCC[NH2+]C1 ZINC001246719286 807366659 /nfs/dbraw/zinc/36/66/59/807366659.db2.gz YTTWDOFAVJZRFK-JSGCOSHPSA-N 2 2 251.374 0.825 20 0 CCADLP CN1C[C@@]2(CC1=O)CCCC[N@H+]2[C@H]1CCC[NH2+]C1 ZINC001246719286 807366667 /nfs/dbraw/zinc/36/66/67/807366667.db2.gz YTTWDOFAVJZRFK-JSGCOSHPSA-N 2 2 251.374 0.825 20 0 CCADLP C(O[C@@H]1C[N@@H+]([C@H]2CCC[NH2+]C2)[C@@H]2COC[C@H]12)C1CC1 ZINC001246778647 807376614 /nfs/dbraw/zinc/37/66/14/807376614.db2.gz ZZIXMXPMLHJJDW-BYNSBNAKSA-N 2 2 266.385 0.864 20 0 CCADLP C(O[C@@H]1C[N@H+]([C@H]2CCC[NH2+]C2)[C@@H]2COC[C@H]12)C1CC1 ZINC001246778647 807376623 /nfs/dbraw/zinc/37/66/23/807376623.db2.gz ZZIXMXPMLHJJDW-BYNSBNAKSA-N 2 2 266.385 0.864 20 0 CCADLP CC[N@H+](C1CC[NH+](C)CC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246787355 807379487 /nfs/dbraw/zinc/37/94/87/807379487.db2.gz PIYVSSFINYMYBF-AWEZNQCLSA-N 3 2 266.433 0.497 20 0 CCADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246787355 807379492 /nfs/dbraw/zinc/37/94/92/807379492.db2.gz PIYVSSFINYMYBF-AWEZNQCLSA-N 3 2 266.433 0.497 20 0 CCADLP c1cn(C2CC[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)CC2)c[nH+]1 ZINC001246844210 807403282 /nfs/dbraw/zinc/40/32/82/807403282.db2.gz IIDDPIQIBANULI-AWEZNQCLSA-N 3 2 275.400 0.614 20 0 CCADLP OC1(Cc2nc(-c3ccccc3-n3cc[nH+]c3)no2)C[NH2+]C1 ZINC001247791484 807490989 /nfs/dbraw/zinc/49/09/89/807490989.db2.gz GOVCQZXKGJBLBY-UHFFFAOYSA-N 2 2 297.318 0.799 20 0 CCADLP COC[C@H]([NH3+])c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001248185273 807508236 /nfs/dbraw/zinc/50/82/36/807508236.db2.gz BOZLUDWAWZNFOE-VIFPVBQESA-N 2 2 275.312 0.424 20 0 CCADLP [NH3+]C[C@H]([NH3+])Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC001249129771 807544325 /nfs/dbraw/zinc/54/43/25/807544325.db2.gz SOWQHMHLEKAXHY-MRVPVSSYSA-N 2 2 262.269 0.294 20 0 CCADLP CCOCC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001278533348 807566747 /nfs/dbraw/zinc/56/67/47/807566747.db2.gz RCSDAXNEZLRFHG-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP CCOCC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001278533348 807566752 /nfs/dbraw/zinc/56/67/52/807566752.db2.gz RCSDAXNEZLRFHG-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP CC(C)[N@H+](C)[C@@H]1CCN(C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC001251025173 807645098 /nfs/dbraw/zinc/64/50/98/807645098.db2.gz UQSFCJIPDPRALP-CABCVRRESA-N 2 2 285.432 0.094 20 0 CCADLP CC(C)[N@@H+](C)[C@@H]1CCN(C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC001251025173 807645101 /nfs/dbraw/zinc/64/51/01/807645101.db2.gz UQSFCJIPDPRALP-CABCVRRESA-N 2 2 285.432 0.094 20 0 CCADLP CC(C)(C)C[N@@H+]1CC[C@H](NC[C@@H](O)C[NH+]2CCOCC2)C1 ZINC001251044698 807654417 /nfs/dbraw/zinc/65/44/17/807654417.db2.gz BCLFASBSTIRPLF-LSDHHAIUSA-N 2 2 299.459 0.390 20 0 CCADLP CC(C)(C)C[N@H+]1CC[C@H](NC[C@@H](O)C[NH+]2CCOCC2)C1 ZINC001251044698 807654420 /nfs/dbraw/zinc/65/44/20/807654420.db2.gz BCLFASBSTIRPLF-LSDHHAIUSA-N 2 2 299.459 0.390 20 0 CCADLP O[C@@H](C[NH2+]CCc1[nH]cc[nH+]1)COc1ccccc1 ZINC001251234531 807675514 /nfs/dbraw/zinc/67/55/14/807675514.db2.gz AHZWFOVNPKJOCO-LBPRGKRZSA-N 2 2 261.325 0.982 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)n2cc[nH+]c2)C1 ZINC001251705582 807695143 /nfs/dbraw/zinc/69/51/43/807695143.db2.gz SFJLIEIEXXVCKS-VXGBXAGGSA-N 2 2 266.345 0.281 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)n2cc[nH+]c2)C1 ZINC001251705582 807695148 /nfs/dbraw/zinc/69/51/48/807695148.db2.gz SFJLIEIEXXVCKS-VXGBXAGGSA-N 2 2 266.345 0.281 20 0 CCADLP OC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001252073216 807792739 /nfs/dbraw/zinc/79/27/39/807792739.db2.gz XQPJNYNYJIFMEJ-HNNXBMFYSA-N 2 2 280.368 0.299 20 0 CCADLP COC(=O)[C@@H](O)C[NH2+]CCSCc1[nH]c[nH+]c1C ZINC001252441037 807856372 /nfs/dbraw/zinc/85/63/72/807856372.db2.gz WZUKWISIZYHBLK-JTQLQIEISA-N 2 2 273.358 0.075 20 0 CCADLP NOCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001252943882 807988667 /nfs/dbraw/zinc/98/86/67/807988667.db2.gz RMUKYMOOXZIIAI-CQSZACIVSA-N 2 2 265.357 0.103 20 0 CCADLP NOCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001252943882 807988671 /nfs/dbraw/zinc/98/86/71/807988671.db2.gz RMUKYMOOXZIIAI-CQSZACIVSA-N 2 2 265.357 0.103 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@@H](F)[C@@H](O)CC1 ZINC001253181527 808021845 /nfs/dbraw/zinc/02/18/45/808021845.db2.gz WHEIHGLPJHTRMM-XQQFMLRXSA-N 2 2 262.369 0.484 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@@H](F)[C@@H](O)CC1 ZINC001253181527 808021853 /nfs/dbraw/zinc/02/18/53/808021853.db2.gz WHEIHGLPJHTRMM-XQQFMLRXSA-N 2 2 262.369 0.484 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC2(CCCC(=O)N2)CC1 ZINC001253184834 808022037 /nfs/dbraw/zinc/02/20/37/808022037.db2.gz LKIGLZYWSHJQPW-CQSZACIVSA-N 2 2 297.443 0.824 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC001253189504 808022834 /nfs/dbraw/zinc/02/28/34/808022834.db2.gz JOUKGHPDUZHMFU-OAHLLOKOSA-N 2 2 297.443 0.680 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1C[C@@H]2CCCC(=O)[C@H]2C1 ZINC001253194730 808026835 /nfs/dbraw/zinc/02/68/35/808026835.db2.gz KCRZNDCCHALGDG-IHRRRGAJSA-N 2 2 268.401 0.990 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1C[C@@H]2CCCC(=O)[C@H]2C1 ZINC001253194730 808026840 /nfs/dbraw/zinc/02/68/40/808026840.db2.gz KCRZNDCCHALGDG-IHRRRGAJSA-N 2 2 268.401 0.990 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+]C[C@@H]1OCCc2cn(C)nc21 ZINC001253201854 808028260 /nfs/dbraw/zinc/02/82/60/808028260.db2.gz AFCGVUOSKBBKGB-KBPBESRZSA-N 2 2 296.415 0.326 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+]CC1(F)CCOCC1 ZINC001253206556 808030829 /nfs/dbraw/zinc/03/08/29/808030829.db2.gz PQIUFHHALUOSFQ-LBPRGKRZSA-N 2 2 262.369 0.797 20 0 CCADLP CCOC(=O)CC1([NH2+]C[C@H](O)C[NH+](CC)CC)CC1 ZINC001253217309 808037538 /nfs/dbraw/zinc/03/75/38/808037538.db2.gz WWNJAQCKPOUGQH-LBPRGKRZSA-N 2 2 272.389 0.765 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC001253395518 808054974 /nfs/dbraw/zinc/05/49/74/808054974.db2.gz IGPYUONVNDIPNK-CHWSQXEVSA-N 2 2 281.404 0.664 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC001253395518 808054981 /nfs/dbraw/zinc/05/49/81/808054981.db2.gz IGPYUONVNDIPNK-CHWSQXEVSA-N 2 2 281.404 0.664 20 0 CCADLP CNC(=O)NC1CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253396744 808057198 /nfs/dbraw/zinc/05/71/98/808057198.db2.gz DKDMVGAOHJDAHL-GFCCVEGCSA-N 2 2 286.420 0.129 20 0 CCADLP CC(C)(C)OC(=O)[C@@H](O)C[NH2+]CCn1cc[nH+]c1 ZINC001253668361 808106395 /nfs/dbraw/zinc/10/63/95/808106395.db2.gz WHELRDFWSWUCFS-JTQLQIEISA-N 2 2 255.318 0.175 20 0 CCADLP CCOC(=O)C[NH+]1CCC(n2cncc2C[NH3+])CC1 ZINC001254390525 808228918 /nfs/dbraw/zinc/22/89/18/808228918.db2.gz LQTQQUDOGJEJCA-UHFFFAOYSA-N 2 2 266.345 0.542 20 0 CCADLP CN(C1COC1)C1C[NH+]([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254524317 808252806 /nfs/dbraw/zinc/25/28/06/808252806.db2.gz AUECGHXGOAGGSM-GFCCVEGCSA-N 2 2 253.390 0.486 20 0 CCADLP CN(C1COC1)C1C[NH+]([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254524317 808252812 /nfs/dbraw/zinc/25/28/12/808252812.db2.gz AUECGHXGOAGGSM-GFCCVEGCSA-N 2 2 253.390 0.486 20 0 CCADLP C[N@@H+]1CCC[C@H]([NH+]2CCN3C(=O)COC[C@@H]3C2)CC1 ZINC001254528561 808256105 /nfs/dbraw/zinc/25/61/05/808256105.db2.gz HEWBPEFDZUHTOV-STQMWFEESA-N 2 2 267.373 0.014 20 0 CCADLP C[N@H+]1CCC[C@H]([NH+]2CCN3C(=O)COC[C@@H]3C2)CC1 ZINC001254528561 808256107 /nfs/dbraw/zinc/25/61/07/808256107.db2.gz HEWBPEFDZUHTOV-STQMWFEESA-N 2 2 267.373 0.014 20 0 CCADLP C[NH+]1CCC[C@H]([N@@H+]2CCN3C(=O)COC[C@@H]3C2)CC1 ZINC001254528561 808256113 /nfs/dbraw/zinc/25/61/13/808256113.db2.gz HEWBPEFDZUHTOV-STQMWFEESA-N 2 2 267.373 0.014 20 0 CCADLP C[NH+]1CCC[C@H]([N@H+]2CCN3C(=O)COC[C@@H]3C2)CC1 ZINC001254528561 808256119 /nfs/dbraw/zinc/25/61/19/808256119.db2.gz HEWBPEFDZUHTOV-STQMWFEESA-N 2 2 267.373 0.014 20 0 CCADLP O=C1NCCN1CC[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254832929 808282206 /nfs/dbraw/zinc/28/22/06/808282206.db2.gz SLRVCOIUNTWFKV-LBPRGKRZSA-N 2 2 252.362 0.086 20 0 CCADLP Cc1nc(CC[NH2+][C@@H]2CC3CC[NH+](CC3)C2)no1 ZINC001254834045 808283601 /nfs/dbraw/zinc/28/36/01/808283601.db2.gz UOAWPCLMPHIJOC-GFCCVEGCSA-N 2 2 250.346 0.994 20 0 CCADLP [NH3+][C@H]1CC[N@@H+](C2CCN(C(=O)C(F)(F)F)CC2)C1 ZINC001255969416 808442277 /nfs/dbraw/zinc/44/22/77/808442277.db2.gz AEAJISSEGQTZAQ-QMMMGPOBSA-N 2 2 265.279 0.573 20 0 CCADLP [NH3+][C@H]1CC[N@H+](C2CCN(C(=O)C(F)(F)F)CC2)C1 ZINC001255969416 808442280 /nfs/dbraw/zinc/44/22/80/808442280.db2.gz AEAJISSEGQTZAQ-QMMMGPOBSA-N 2 2 265.279 0.573 20 0 CCADLP O[C@H]1CCCN(CC[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC001256069457 808467618 /nfs/dbraw/zinc/46/76/18/808467618.db2.gz DQCPEXJMUZTQEK-HNNXBMFYSA-N 2 2 267.417 0.660 20 0 CCADLP CO[C@@H]1C[N@@H+](C2CC[NH+](C3CC3)CC2)C[C@@H]1OC ZINC001256072927 808467863 /nfs/dbraw/zinc/46/78/63/808467863.db2.gz ITXRHESYVBUCAI-OKILXGFUSA-N 2 2 254.374 0.959 20 0 CCADLP CO[C@@H]1C[N@H+](C2CC[NH+](C3CC3)CC2)C[C@@H]1OC ZINC001256072927 808467868 /nfs/dbraw/zinc/46/78/68/808467868.db2.gz ITXRHESYVBUCAI-OKILXGFUSA-N 2 2 254.374 0.959 20 0 CCADLP CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@@H+]2C2CC[NH+](C)CC2)O1 ZINC001256203006 808477677 /nfs/dbraw/zinc/47/76/77/808477677.db2.gz BQXMVCPNGMWZBN-MGPQQGTHSA-N 2 2 281.400 0.401 20 0 CCADLP CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@H+]2C2CC[NH+](C)CC2)O1 ZINC001256203006 808477681 /nfs/dbraw/zinc/47/76/81/808477681.db2.gz BQXMVCPNGMWZBN-MGPQQGTHSA-N 2 2 281.400 0.401 20 0 CCADLP COc1ncnc2c1CC[N@@H+](C1CC[NH+](C)CC1)CC2 ZINC001256203946 808477986 /nfs/dbraw/zinc/47/79/86/808477986.db2.gz CHLZRHPCYBFCHS-UHFFFAOYSA-N 2 2 276.384 0.980 20 0 CCADLP COc1ncnc2c1CC[N@H+](C1CC[NH+](C)CC1)CC2 ZINC001256203946 808477988 /nfs/dbraw/zinc/47/79/88/808477988.db2.gz CHLZRHPCYBFCHS-UHFFFAOYSA-N 2 2 276.384 0.980 20 0 CCADLP C[C@@H](CC(=O)N1CCOCC1)[NH2+]CCn1cc[nH+]c1 ZINC001256315928 808490054 /nfs/dbraw/zinc/49/00/54/808490054.db2.gz NJCBAORJPWOMSU-LBPRGKRZSA-N 2 2 266.345 0.110 20 0 CCADLP C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001256327229 808496952 /nfs/dbraw/zinc/49/69/52/808496952.db2.gz BSLNAVYSBALKFN-KBPBESRZSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001256327229 808496955 /nfs/dbraw/zinc/49/69/55/808496955.db2.gz BSLNAVYSBALKFN-KBPBESRZSA-N 2 2 295.427 0.840 20 0 CCADLP CC(C)(C)[NH+]1CCC([NH2+]C2CN(C3COC3)C2)CC1 ZINC001256567553 808534941 /nfs/dbraw/zinc/53/49/41/808534941.db2.gz WABFYPVPNNEJPP-UHFFFAOYSA-N 2 2 267.417 0.922 20 0 CCADLP OC[C@H]1C[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C[C@H]1O ZINC001256604586 808539735 /nfs/dbraw/zinc/53/97/35/808539735.db2.gz SVANMFUHVUBNDW-NVXWUHKLSA-N 2 2 290.407 0.936 20 0 CCADLP OC[C@H]1C[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C[C@H]1O ZINC001256604586 808539740 /nfs/dbraw/zinc/53/97/40/808539740.db2.gz SVANMFUHVUBNDW-NVXWUHKLSA-N 2 2 290.407 0.936 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](C2CCC([NH+]3CCOCC3)CC2)CCO1 ZINC001256678930 808547961 /nfs/dbraw/zinc/54/79/61/808547961.db2.gz VVJMZAFXFCWFDT-NRXISQOPSA-N 3 2 283.416 0.289 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](C2CCC([NH+]3CCOCC3)CC2)CCO1 ZINC001256678930 808547964 /nfs/dbraw/zinc/54/79/64/808547964.db2.gz VVJMZAFXFCWFDT-NRXISQOPSA-N 3 2 283.416 0.289 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](C2CCC([NH+]3CCOCC3)CC2)C1 ZINC001256678607 808549034 /nfs/dbraw/zinc/54/90/34/808549034.db2.gz OKZGTSBCXDEQIA-IYXRBSQSSA-N 3 2 253.390 0.663 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](C2CCC([NH+]3CCOCC3)CC2)C1 ZINC001256678607 808549041 /nfs/dbraw/zinc/54/90/41/808549041.db2.gz OKZGTSBCXDEQIA-IYXRBSQSSA-N 3 2 253.390 0.663 20 0 CCADLP C[C@H](Cc1ccncc1)[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001256752755 808558097 /nfs/dbraw/zinc/55/80/97/808558097.db2.gz FIHMUMVIFKYNJF-CQSZACIVSA-N 2 2 274.412 0.944 20 0 CCADLP C[NH+](C)C1CC[NH+](C2CCN(S(C)(=O)=O)CC2)CC1 ZINC001257232737 808601964 /nfs/dbraw/zinc/60/19/64/808601964.db2.gz CYQSOZKIUOEGBL-UHFFFAOYSA-N 2 2 289.445 0.436 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]([NH3+])C2)C[C@H]1C(=O)OC ZINC001257722631 808630617 /nfs/dbraw/zinc/63/06/17/808630617.db2.gz OLUOVDUOEOUUFN-UMSGYPCISA-N 2 2 298.383 0.540 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCC[C@H]([NH3+])C2)C[C@H]1C(=O)OC ZINC001257722631 808630621 /nfs/dbraw/zinc/63/06/21/808630621.db2.gz OLUOVDUOEOUUFN-UMSGYPCISA-N 2 2 298.383 0.540 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]2C[NH3+])C[C@H]1C(=O)OC ZINC001257720698 808630937 /nfs/dbraw/zinc/63/09/37/808630937.db2.gz HSZHVVWDHPXTCI-YVECIDJPSA-N 2 2 298.383 0.540 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCC[C@H]2C[NH3+])C[C@H]1C(=O)OC ZINC001257720698 808630942 /nfs/dbraw/zinc/63/09/42/808630942.db2.gz HSZHVVWDHPXTCI-YVECIDJPSA-N 2 2 298.383 0.540 20 0 CCADLP COC(=O)CC[C@@H](C)n1c[nH+]cc1CCNC(=O)CC[NH3+] ZINC001258357251 808675537 /nfs/dbraw/zinc/67/55/37/808675537.db2.gz APSXNSQKKAKITP-LLVKDONJSA-N 2 2 296.371 0.405 20 0 CCADLP CCOC(=O)CC[C@@H](C)[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001258501410 808690599 /nfs/dbraw/zinc/69/05/99/808690599.db2.gz SYTXMPGHTURUKK-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC001263817735 809578141 /nfs/dbraw/zinc/57/81/41/809578141.db2.gz BEUSZAXOBYHQHE-UHFFFAOYSA-N 2 2 264.373 0.905 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC001263817735 809578144 /nfs/dbraw/zinc/57/81/44/809578144.db2.gz BEUSZAXOBYHQHE-UHFFFAOYSA-N 2 2 264.373 0.905 20 0 CCADLP CC(C)OCCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001265320086 809757137 /nfs/dbraw/zinc/75/71/37/809757137.db2.gz XMVRABATAMUHOV-CQSZACIVSA-N 2 2 294.399 0.889 20 0 CCADLP CC(C)OCCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001265320086 809757141 /nfs/dbraw/zinc/75/71/41/809757141.db2.gz XMVRABATAMUHOV-CQSZACIVSA-N 2 2 294.399 0.889 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@H]([NH2+]CCCO)C1 ZINC001265435468 809778312 /nfs/dbraw/zinc/77/83/12/809778312.db2.gz GUFDKNCKXUJYJC-QJPTWQEYSA-N 2 2 278.356 0.086 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@H]([NH2+]CCCO)C1 ZINC001265435468 809778318 /nfs/dbraw/zinc/77/83/18/809778318.db2.gz GUFDKNCKXUJYJC-QJPTWQEYSA-N 2 2 278.356 0.086 20 0 CCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[C@H]([NH2+]CCCF)C1 ZINC001265437011 809779209 /nfs/dbraw/zinc/77/92/09/809779209.db2.gz UFQDHFCZUAXTHX-STQMWFEESA-N 2 2 294.374 0.996 20 0 CCADLP CCOCC[NH2+]C1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001265744616 809833116 /nfs/dbraw/zinc/83/31/16/809833116.db2.gz OLAXPGPGGAEUAE-UHFFFAOYSA-N 2 2 294.399 0.937 20 0 CCADLP C[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)C[C@@H]1CCCCO1 ZINC001265929357 809898101 /nfs/dbraw/zinc/89/81/01/809898101.db2.gz NFLOWQOQHIBSJI-AWEZNQCLSA-N 2 2 294.399 0.959 20 0 CCADLP C[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)C[C@@H]1CCCCO1 ZINC001265929357 809898106 /nfs/dbraw/zinc/89/81/06/809898106.db2.gz NFLOWQOQHIBSJI-AWEZNQCLSA-N 2 2 294.399 0.959 20 0 CCADLP CN(CC[NH2+]Cc1cnsn1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001267414800 811288783 /nfs/dbraw/zinc/28/87/83/811288783.db2.gz QKWUCIHMKMELHO-LLVKDONJSA-N 2 2 283.401 0.180 20 0 CCADLP CN(CC[NH2+]Cc1cnsn1)C(=O)[C@H]1CCC[N@H+]1C ZINC001267414800 811288787 /nfs/dbraw/zinc/28/87/87/811288787.db2.gz QKWUCIHMKMELHO-LLVKDONJSA-N 2 2 283.401 0.180 20 0 CCADLP CCOC(=O)C[C@H]1C(=O)NCC[N@H+]1CC1CC[NH+](C)CC1 ZINC001207398480 811336575 /nfs/dbraw/zinc/33/65/75/811336575.db2.gz TUXOKHAFZDDEPV-ZDUSSCGKSA-N 2 2 297.399 0.082 20 0 CCADLP CCOC(=O)C[C@H]1C(=O)NCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC001207398480 811336582 /nfs/dbraw/zinc/33/65/82/811336582.db2.gz TUXOKHAFZDDEPV-ZDUSSCGKSA-N 2 2 297.399 0.082 20 0 CCADLP O=C(N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001077169050 815453849 /nfs/dbraw/zinc/45/38/49/815453849.db2.gz LDJQMDQJFATUTC-HBJVGIJOSA-N 2 2 290.367 0.085 20 0 CCADLP O=C(N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001077169050 815453856 /nfs/dbraw/zinc/45/38/56/815453856.db2.gz LDJQMDQJFATUTC-HBJVGIJOSA-N 2 2 290.367 0.085 20 0 CCADLP O=C(N(C1CCC1)C1CCOCC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001161460726 811683566 /nfs/dbraw/zinc/68/35/66/811683566.db2.gz OFQKPVHZGMCPFA-WBMJQRKESA-N 2 2 293.411 0.498 20 0 CCADLP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001077260505 815469656 /nfs/dbraw/zinc/46/96/56/815469656.db2.gz JRAAWASYEHOATC-LERXQTSPSA-N 2 2 292.383 0.004 20 0 CCADLP O=C(NCCC1=CCCCC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220254751 811727179 /nfs/dbraw/zinc/72/71/79/811727179.db2.gz WCIFITNIQSBZAR-UKRRQHHQSA-N 2 2 263.385 0.945 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCC1(C[NH2+]CCF)CC1 ZINC001167736906 811762758 /nfs/dbraw/zinc/76/27/58/811762758.db2.gz LLNHZSUTVOONLB-UHFFFAOYSA-N 2 2 282.363 0.808 20 0 CCADLP Cc1nc(N[C@@H](C)CNC(=O)CC[NH+](C)C)cc[nH+]1 ZINC001098236194 812081831 /nfs/dbraw/zinc/08/18/31/812081831.db2.gz DUTMPUVOIKAJKZ-JTQLQIEISA-N 2 2 265.361 0.653 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N(C)[C@@H](C)C[NH2+]CCO)c[nH+]1 ZINC001268070755 812184783 /nfs/dbraw/zinc/18/47/83/812184783.db2.gz KMLZRQWXSBMVJZ-LBPRGKRZSA-N 2 2 282.388 0.355 20 0 CCADLP C[NH+](C)Cc1csc(CNC[C@H](O)C[NH+]2CCCC2)n1 ZINC000722382740 812226435 /nfs/dbraw/zinc/22/64/35/812226435.db2.gz KZKTVQKLTPQKIL-ZDUSSCGKSA-N 2 2 298.456 0.751 20 0 CCADLP COCC[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001268228581 812382207 /nfs/dbraw/zinc/38/22/07/812382207.db2.gz WDNVJZJNCKEAMA-GFCCVEGCSA-N 2 2 268.361 0.260 20 0 CCADLP C[C@@H](CC[NH2+]CC1CC1)NC(=O)Cn1cc[nH+]c1 ZINC001268431282 812564000 /nfs/dbraw/zinc/56/40/00/812564000.db2.gz NAUOIRFVIWFJIE-NSHDSACASA-N 2 2 250.346 0.778 20 0 CCADLP [NH2+]=C(Nc1cnc2c(c1)OCCO2)SCC[NH3+] ZINC001167914731 812594260 /nfs/dbraw/zinc/59/42/60/812594260.db2.gz PBNYLQDFEJBWAF-UHFFFAOYSA-N 2 2 254.315 0.891 20 0 CCADLP CC[NH2+]C/C=C/CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001268560054 812799379 /nfs/dbraw/zinc/79/93/79/812799379.db2.gz IFUCCSQFIGTMEW-PCAWENJQSA-N 2 2 262.357 0.727 20 0 CCADLP CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc1ncccn1)[NH+](C)C ZINC001268593198 812893420 /nfs/dbraw/zinc/89/34/20/812893420.db2.gz ROUDZVREJLRYMI-GFUIURDCSA-N 2 2 291.399 0.579 20 0 CCADLP C[C@@H](C[NH2+]CC1CC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001268689166 813012018 /nfs/dbraw/zinc/01/20/18/813012018.db2.gz QLKMRJAGNIPIQX-JTQLQIEISA-N 2 2 250.346 0.847 20 0 CCADLP C[C@@H](C[NH2+]CC1CC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001268689166 813012023 /nfs/dbraw/zinc/01/20/23/813012023.db2.gz QLKMRJAGNIPIQX-JTQLQIEISA-N 2 2 250.346 0.847 20 0 CCADLP COCCCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001269084571 813210329 /nfs/dbraw/zinc/21/03/29/813210329.db2.gz XJAIFBDJZCXDGW-ZDUSSCGKSA-N 2 2 294.399 0.580 20 0 CCADLP COCCCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001269084571 813210330 /nfs/dbraw/zinc/21/03/30/813210330.db2.gz XJAIFBDJZCXDGW-ZDUSSCGKSA-N 2 2 294.399 0.580 20 0 CCADLP O=C(NC[C@@H]1CC[N@@H+](CCO)C1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001028796978 813521595 /nfs/dbraw/zinc/52/15/95/813521595.db2.gz KADCGZSMNHAEFW-NWDGAFQWSA-N 2 2 292.383 0.260 20 0 CCADLP O=C(NC[C@@H]1CC[N@H+](CCO)C1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001028796978 813521600 /nfs/dbraw/zinc/52/16/00/813521600.db2.gz KADCGZSMNHAEFW-NWDGAFQWSA-N 2 2 292.383 0.260 20 0 CCADLP CCO[C@H](C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1)C1CC1 ZINC001126442989 813599739 /nfs/dbraw/zinc/59/97/39/813599739.db2.gz WMVNZEWHFRFKMY-CYBMUJFWSA-N 2 2 294.399 0.863 20 0 CCADLP CCC[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001270165624 813659181 /nfs/dbraw/zinc/65/91/81/813659181.db2.gz PFBPTNJITCVSJK-LBPRGKRZSA-N 2 2 264.373 0.953 20 0 CCADLP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@]2(C1)C[N@H+](C)CCO2 ZINC001270618248 813841077 /nfs/dbraw/zinc/84/10/77/813841077.db2.gz WFAHKQIXNMHLGT-GDBMZVCRSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@]2(C1)C[N@@H+](C)CCO2 ZINC001270618248 813841084 /nfs/dbraw/zinc/84/10/84/813841084.db2.gz WFAHKQIXNMHLGT-GDBMZVCRSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+]1CCO[C@]2(CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001270618248 813841092 /nfs/dbraw/zinc/84/10/92/813841092.db2.gz WFAHKQIXNMHLGT-GDBMZVCRSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+]1CCO[C@]2(CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001270618248 813841096 /nfs/dbraw/zinc/84/10/96/813841096.db2.gz WFAHKQIXNMHLGT-GDBMZVCRSA-N 2 2 295.427 0.794 20 0 CCADLP O=C(CCO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167970799 813858584 /nfs/dbraw/zinc/85/85/84/813858584.db2.gz NGLKZWHFOUXDLB-AGUYFDCRSA-N 2 2 266.385 0.933 20 0 CCADLP O=C(CCO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167970799 813858595 /nfs/dbraw/zinc/85/85/95/813858595.db2.gz NGLKZWHFOUXDLB-AGUYFDCRSA-N 2 2 266.385 0.933 20 0 CCADLP CC[C@@H](C(=O)N[C@@]1(C)CC[N@@H+](CCF)C1)[NH+](C)C ZINC001270648903 813871197 /nfs/dbraw/zinc/87/11/97/813871197.db2.gz KEENDHUOEFHSER-AAEUAGOBSA-N 2 2 259.369 0.877 20 0 CCADLP CC[C@@H](C(=O)N[C@@]1(C)CC[N@H+](CCF)C1)[NH+](C)C ZINC001270648903 813871183 /nfs/dbraw/zinc/87/11/83/813871183.db2.gz KEENDHUOEFHSER-AAEUAGOBSA-N 2 2 259.369 0.877 20 0 CCADLP C[C@H](O)CCC[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001167978288 813882658 /nfs/dbraw/zinc/88/26/58/813882658.db2.gz LFPJVDPZXMLHPF-STQMWFEESA-N 2 2 296.415 0.845 20 0 CCADLP C[C@H](O)CCC[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001167978288 813882666 /nfs/dbraw/zinc/88/26/66/813882666.db2.gz LFPJVDPZXMLHPF-STQMWFEESA-N 2 2 296.415 0.845 20 0 CCADLP C[N@@H+]1CCO[C@H]2CN(C(=O)CC[NH+]3CCCC3)C[C@H]21 ZINC001270900265 814061093 /nfs/dbraw/zinc/06/10/93/814061093.db2.gz BAFQOHHGUIWOQT-OLZOCXBDSA-N 2 2 267.373 0.014 20 0 CCADLP C[N@H+]1CCO[C@H]2CN(C(=O)CC[NH+]3CCCC3)C[C@H]21 ZINC001270900265 814061099 /nfs/dbraw/zinc/06/10/99/814061099.db2.gz BAFQOHHGUIWOQT-OLZOCXBDSA-N 2 2 267.373 0.014 20 0 CCADLP C[N@@H+]1CCO[C@H]2CN(C(=O)CC[NH+]3CCCC3)C[C@@H]21 ZINC001270900266 814061903 /nfs/dbraw/zinc/06/19/03/814061903.db2.gz BAFQOHHGUIWOQT-STQMWFEESA-N 2 2 267.373 0.014 20 0 CCADLP C[N@H+]1CCO[C@H]2CN(C(=O)CC[NH+]3CCCC3)C[C@@H]21 ZINC001270900266 814061904 /nfs/dbraw/zinc/06/19/04/814061904.db2.gz BAFQOHHGUIWOQT-STQMWFEESA-N 2 2 267.373 0.014 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCO ZINC001029331773 814072772 /nfs/dbraw/zinc/07/27/72/814072772.db2.gz UHAPCKQSROQKSD-OKILXGFUSA-N 2 2 292.383 0.400 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCO ZINC001029331773 814072776 /nfs/dbraw/zinc/07/27/76/814072776.db2.gz UHAPCKQSROQKSD-OKILXGFUSA-N 2 2 292.383 0.400 20 0 CCADLP C[NH2+][C@@]12CC[C@@](NC(=O)[C@@H]3C[N@H+](C)CCO3)(C1)CCC2 ZINC001270977050 814105115 /nfs/dbraw/zinc/10/51/15/814105115.db2.gz LFKLCEXKKZWSAY-AEGPPILISA-N 2 2 281.400 0.498 20 0 CCADLP C[NH2+][C@@]12CC[C@@](NC(=O)[C@@H]3C[N@@H+](C)CCO3)(C1)CCC2 ZINC001270977050 814105120 /nfs/dbraw/zinc/10/51/20/814105120.db2.gz LFKLCEXKKZWSAY-AEGPPILISA-N 2 2 281.400 0.498 20 0 CCADLP C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CC[NH+]1C(C)(C)C ZINC001271976063 814659524 /nfs/dbraw/zinc/65/95/24/814659524.db2.gz OACWZOXREBAJBX-FRRDWIJNSA-N 2 2 281.400 0.401 20 0 CCADLP C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CC[NH+]1C(C)(C)C ZINC001271976063 814659525 /nfs/dbraw/zinc/65/95/25/814659525.db2.gz OACWZOXREBAJBX-FRRDWIJNSA-N 2 2 281.400 0.401 20 0 CCADLP C[NH+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC001271976063 814659527 /nfs/dbraw/zinc/65/95/27/814659527.db2.gz OACWZOXREBAJBX-FRRDWIJNSA-N 2 2 281.400 0.401 20 0 CCADLP C[NH+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC001271976063 814659529 /nfs/dbraw/zinc/65/95/29/814659529.db2.gz OACWZOXREBAJBX-FRRDWIJNSA-N 2 2 281.400 0.401 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001030533816 816092488 /nfs/dbraw/zinc/09/24/88/816092488.db2.gz ZTRQSJQDWNXAMR-YPMHNXCESA-N 2 2 269.389 0.306 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001030533816 816092496 /nfs/dbraw/zinc/09/24/96/816092496.db2.gz ZTRQSJQDWNXAMR-YPMHNXCESA-N 2 2 269.389 0.306 20 0 CCADLP Cn1cc(C[N@H+](C)CCN2CC[NH+](C)CC2)c(C2CC2)n1 ZINC001232168931 816100763 /nfs/dbraw/zinc/10/07/63/816100763.db2.gz AKKYISUTJSFRBB-UHFFFAOYSA-N 2 2 291.443 0.977 20 0 CCADLP Cn1cc(C[N@@H+](C)CCN2CC[NH+](C)CC2)c(C2CC2)n1 ZINC001232168931 816100768 /nfs/dbraw/zinc/10/07/68/816100768.db2.gz AKKYISUTJSFRBB-UHFFFAOYSA-N 2 2 291.443 0.977 20 0 CCADLP CCC[N@@H+]1CCC[C@@H](C(=O)NC2C[NH+](C[C@H](C)OC)C2)C1 ZINC001030825683 816320218 /nfs/dbraw/zinc/32/02/18/816320218.db2.gz ONCJLTZNAMKOPV-UONOGXRCSA-N 2 2 297.443 0.944 20 0 CCADLP CCC[N@H+]1CCC[C@@H](C(=O)NC2C[NH+](C[C@H](C)OC)C2)C1 ZINC001030825683 816320228 /nfs/dbraw/zinc/32/02/28/816320228.db2.gz ONCJLTZNAMKOPV-UONOGXRCSA-N 2 2 297.443 0.944 20 0 CCADLP CCC[N@@H+]1CCC[C@@H](C(=O)NC2C[NH+](CCOC)C2)C1 ZINC001030825394 816320508 /nfs/dbraw/zinc/32/05/08/816320508.db2.gz LEZGZUOZVCYWQJ-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP CCC[N@H+]1CCC[C@@H](C(=O)NC2C[NH+](CCOC)C2)C1 ZINC001030825394 816320515 /nfs/dbraw/zinc/32/05/15/816320515.db2.gz LEZGZUOZVCYWQJ-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP CC[N@@H+]1CC[C@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001272446616 816438498 /nfs/dbraw/zinc/43/84/98/816438498.db2.gz QVTFYSMMUDAQAT-AWEZNQCLSA-N 2 2 262.357 0.864 20 0 CCADLP CC[N@H+]1CC[C@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001272446616 816438500 /nfs/dbraw/zinc/43/85/00/816438500.db2.gz QVTFYSMMUDAQAT-AWEZNQCLSA-N 2 2 262.357 0.864 20 0 CCADLP CCCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001272452266 816440780 /nfs/dbraw/zinc/44/07/80/816440780.db2.gz HOOXJTXQLJWYSK-JSGCOSHPSA-N 2 2 294.399 0.312 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1 ZINC001099184075 816578830 /nfs/dbraw/zinc/57/88/30/816578830.db2.gz XLDIHMRELKLCJL-YDHLFZDLSA-N 2 2 292.383 0.235 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1 ZINC001099184075 816578835 /nfs/dbraw/zinc/57/88/35/816578835.db2.gz XLDIHMRELKLCJL-YDHLFZDLSA-N 2 2 292.383 0.235 20 0 CCADLP C[C@H](O)C[NH+]1CC(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001031049876 816607734 /nfs/dbraw/zinc/60/77/34/816607734.db2.gz QXJPLQWWZNQFIG-STQMWFEESA-N 2 2 283.416 0.432 20 0 CCADLP CC[NH+]1CC(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001031234374 816864510 /nfs/dbraw/zinc/86/45/10/816864510.db2.gz CTLIYWYJJCNKPJ-UHFFFAOYSA-N 2 2 265.401 0.929 20 0 CCADLP COc1ccc(OC)c([C@H](O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000916742068 816988150 /nfs/dbraw/zinc/98/81/50/816988150.db2.gz RANFLVMWEQBKGZ-LALPHHSUSA-N 2 2 292.379 0.888 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC1C[NH+](C[C@H]2CC[C@H](C)O2)C1 ZINC001031391720 817027121 /nfs/dbraw/zinc/02/71/21/817027121.db2.gz LVBRUYUQVHTSDN-SMDDNHRTSA-N 2 2 292.383 0.559 20 0 CCADLP CC[C@@H](C)C[NH+]1CC(NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001031413890 817039370 /nfs/dbraw/zinc/03/93/70/817039370.db2.gz CFHBMSSNOHRCOT-TZMCWYRMSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@@H](C)C[NH+]1CC(NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001031413890 817039378 /nfs/dbraw/zinc/03/93/78/817039378.db2.gz CFHBMSSNOHRCOT-TZMCWYRMSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CCF)C2)CC[N@@H+]1C ZINC001031682191 817241072 /nfs/dbraw/zinc/24/10/72/817241072.db2.gz YDEZNOIEHPVFDQ-ZYHUDNBSSA-N 2 2 257.353 0.344 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CCF)C2)CC[N@H+]1C ZINC001031682191 817241077 /nfs/dbraw/zinc/24/10/77/817241077.db2.gz YDEZNOIEHPVFDQ-ZYHUDNBSSA-N 2 2 257.353 0.344 20 0 CCADLP CC[C@H](CCC(=O)OC)C[N@H+]1C[C@@H](C(=O)OC)[C@H]([NH3+])C1 ZINC001236344632 817270482 /nfs/dbraw/zinc/27/04/82/817270482.db2.gz RNTXXJJRPVVUDY-IJLUTSLNSA-N 2 2 286.372 0.398 20 0 CCADLP CC[C@H](CCC(=O)OC)C[N@@H+]1C[C@@H](C(=O)OC)[C@H]([NH3+])C1 ZINC001236344632 817270489 /nfs/dbraw/zinc/27/04/89/817270489.db2.gz RNTXXJJRPVVUDY-IJLUTSLNSA-N 2 2 286.372 0.398 20 0 CCADLP CC[C@H](CCC(=O)OC)C[N@@H+]1C[C@H]([NH3+])[C@H](C(=O)OC)C1 ZINC001236344634 817271105 /nfs/dbraw/zinc/27/11/05/817271105.db2.gz RNTXXJJRPVVUDY-UTUOFQBUSA-N 2 2 286.372 0.398 20 0 CCADLP CC[C@H](CCC(=O)OC)C[N@H+]1C[C@H]([NH3+])[C@H](C(=O)OC)C1 ZINC001236344634 817271107 /nfs/dbraw/zinc/27/11/07/817271107.db2.gz RNTXXJJRPVVUDY-UTUOFQBUSA-N 2 2 286.372 0.398 20 0 CCADLP O=C(NCC1C[NH+](CCCO)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001031772837 817354473 /nfs/dbraw/zinc/35/44/73/817354473.db2.gz KYBNXBSBXPFEIZ-UHFFFAOYSA-N 2 2 288.351 0.607 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C[NH2+]C[C@H](C)O)[C@H](C)C1 ZINC001106922850 817446236 /nfs/dbraw/zinc/44/62/36/817446236.db2.gz PBAGLUUYCGFGJN-NTZNESFSSA-N 2 2 294.399 0.326 20 0 CCADLP CC[NH+]1CC(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001031920482 817465453 /nfs/dbraw/zinc/46/54/53/817465453.db2.gz HLISEHDFNDQCBW-OAHLLOKOSA-N 2 2 295.427 0.698 20 0 CCADLP CC[NH+]1CC(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001031920482 817465457 /nfs/dbraw/zinc/46/54/57/817465457.db2.gz HLISEHDFNDQCBW-OAHLLOKOSA-N 2 2 295.427 0.698 20 0 CCADLP Cc1nc(NC/C=C\CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001107199160 817804976 /nfs/dbraw/zinc/80/49/76/817804976.db2.gz BNSAOAOJGWMBME-DHCBQETCSA-N 2 2 289.383 0.821 20 0 CCADLP Cc1nc(NC/C=C\CNC(=O)[C@@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001107199160 817804987 /nfs/dbraw/zinc/80/49/87/817804987.db2.gz BNSAOAOJGWMBME-DHCBQETCSA-N 2 2 289.383 0.821 20 0 CCADLP Cc1nc(NC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)cc[nH+]1 ZINC001107644784 817912407 /nfs/dbraw/zinc/91/24/07/817912407.db2.gz ILRJJCCBVDIEQQ-ZYHUDNBSSA-N 2 2 277.372 0.796 20 0 CCADLP Cc1nc(NC[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)cc[nH+]1 ZINC001107644784 817912409 /nfs/dbraw/zinc/91/24/09/817912409.db2.gz ILRJJCCBVDIEQQ-ZYHUDNBSSA-N 2 2 277.372 0.796 20 0 CCADLP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C2C[NH+](CCOC)C2)C1 ZINC001043605089 818112338 /nfs/dbraw/zinc/11/23/38/818112338.db2.gz ZZHSFHMDGQUYHR-AWEZNQCLSA-N 2 2 297.443 0.897 20 0 CCADLP CCC[N@H+]1CCC[C@H](C(=O)N(C)C2C[NH+](CCOC)C2)C1 ZINC001043605089 818112340 /nfs/dbraw/zinc/11/23/40/818112340.db2.gz ZZHSFHMDGQUYHR-AWEZNQCLSA-N 2 2 297.443 0.897 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ncnc3[nH]ccc32)CC1 ZINC001168736114 818542315 /nfs/dbraw/zinc/54/23/15/818542315.db2.gz YZJTXJYGKMDULO-UHFFFAOYSA-N 2 2 259.317 0.552 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ncc(CF)cn2)CC1 ZINC001168737199 818560179 /nfs/dbraw/zinc/56/01/79/818560179.db2.gz WLWVEXYGVFFMDA-UHFFFAOYSA-N 2 2 252.297 0.540 20 0 CCADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CCCO)C1 ZINC001033587648 818840660 /nfs/dbraw/zinc/84/06/60/818840660.db2.gz ICGODWNODWINSU-GFCCVEGCSA-N 2 2 294.399 0.602 20 0 CCADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033587648 818840667 /nfs/dbraw/zinc/84/06/67/818840667.db2.gz ICGODWNODWINSU-GFCCVEGCSA-N 2 2 294.399 0.602 20 0 CCADLP C[C@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702050391 819045279 /nfs/dbraw/zinc/04/52/79/819045279.db2.gz WOGMWLJFUWNQFJ-TYNCELHUSA-N 2 2 265.401 0.975 20 0 CCADLP C[C@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702050391 819045284 /nfs/dbraw/zinc/04/52/84/819045284.db2.gz WOGMWLJFUWNQFJ-TYNCELHUSA-N 2 2 265.401 0.975 20 0 CCADLP CC[N@@H+]1CCCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034489541 819222331 /nfs/dbraw/zinc/22/23/31/819222331.db2.gz GEKQAZRAHDQEIH-GFCCVEGCSA-N 2 2 264.373 0.953 20 0 CCADLP CC[N@H+]1CCCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034489541 819222335 /nfs/dbraw/zinc/22/23/35/819222335.db2.gz GEKQAZRAHDQEIH-GFCCVEGCSA-N 2 2 264.373 0.953 20 0 CCADLP C[C@@]1(C[N@@H+]2CCC[C@@H](NS(C)(=O)=O)C2)CCC[NH2+]C1 ZINC000705602137 819527633 /nfs/dbraw/zinc/52/76/33/819527633.db2.gz PVCUUFCIEAZYTI-CHWSQXEVSA-N 2 2 289.445 0.390 20 0 CCADLP C[C@@]1(C[N@H+]2CCC[C@@H](NS(C)(=O)=O)C2)CCC[NH2+]C1 ZINC000705602137 819527639 /nfs/dbraw/zinc/52/76/39/819527639.db2.gz PVCUUFCIEAZYTI-CHWSQXEVSA-N 2 2 289.445 0.390 20 0 CCADLP C[C@@H](O)C[NH+]1CC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001035862940 819638535 /nfs/dbraw/zinc/63/85/35/819638535.db2.gz QRTJGPJTYROYBJ-CYBMUJFWSA-N 2 2 292.383 0.188 20 0 CCADLP C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@H]1[NH2+]CCO ZINC001036269666 819717102 /nfs/dbraw/zinc/71/71/02/819717102.db2.gz VXBQJDJQPSQLIE-NWDGAFQWSA-N 2 2 294.399 0.506 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2nccs2)C1 ZINC000710677842 819862473 /nfs/dbraw/zinc/86/24/73/819862473.db2.gz ZCVSRZOBEFNXLL-QWHCGFSZSA-N 2 2 299.440 0.872 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2nccs2)C1 ZINC000710677842 819862487 /nfs/dbraw/zinc/86/24/87/819862487.db2.gz ZCVSRZOBEFNXLL-QWHCGFSZSA-N 2 2 299.440 0.872 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000710677842 819862497 /nfs/dbraw/zinc/86/24/97/819862497.db2.gz ZCVSRZOBEFNXLL-QWHCGFSZSA-N 2 2 299.440 0.872 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000710677842 819862507 /nfs/dbraw/zinc/86/25/07/819862507.db2.gz ZCVSRZOBEFNXLL-QWHCGFSZSA-N 2 2 299.440 0.872 20 0 CCADLP CC(C)S(=O)(=O)CC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710672933 819864666 /nfs/dbraw/zinc/86/46/66/819864666.db2.gz ZQQKAOQUIKCWHG-UHFFFAOYSA-N 2 2 292.445 0.198 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711303151 820000214 /nfs/dbraw/zinc/00/02/14/820000214.db2.gz PXQBUHLRDUMVLH-OCCSQVGLSA-N 2 2 262.357 0.922 20 0 CCADLP COCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001080851431 820646368 /nfs/dbraw/zinc/64/63/68/820646368.db2.gz ITDROCPJAUGSFY-ZWNOBZJWSA-N 2 2 280.372 0.344 20 0 CCADLP COCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001080851431 820646372 /nfs/dbraw/zinc/64/63/72/820646372.db2.gz ITDROCPJAUGSFY-ZWNOBZJWSA-N 2 2 280.372 0.344 20 0 CCADLP F[C@@H]1CN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)C[C@H]1F ZINC001164211088 820660508 /nfs/dbraw/zinc/66/05/08/820660508.db2.gz PTZVZJIDBDCPHF-VXGBXAGGSA-N 2 2 268.311 0.987 20 0 CCADLP CC(C)(C)CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084116456 821195949 /nfs/dbraw/zinc/19/59/49/821195949.db2.gz RVPJBCYQYCKJEO-OLZOCXBDSA-N 2 2 294.399 0.481 20 0 CCADLP CC(C)(C)CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084116456 821195953 /nfs/dbraw/zinc/19/59/53/821195953.db2.gz RVPJBCYQYCKJEO-OLZOCXBDSA-N 2 2 294.399 0.481 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001085044046 821469250 /nfs/dbraw/zinc/46/92/50/821469250.db2.gz WUVWAKKDUIESPB-BZPMIXESSA-N 2 2 292.383 0.256 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001085044046 821469259 /nfs/dbraw/zinc/46/92/59/821469259.db2.gz WUVWAKKDUIESPB-BZPMIXESSA-N 2 2 292.383 0.256 20 0 CCADLP C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001085394246 821677651 /nfs/dbraw/zinc/67/76/51/821677651.db2.gz BOMUHBPYAGQXCV-IACUBPJLSA-N 2 2 294.399 0.360 20 0 CCADLP CC(C)=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001085531282 821771190 /nfs/dbraw/zinc/77/11/90/821771190.db2.gz PJTKVIHQNQORHM-HUUCEWRRSA-N 2 2 295.427 0.816 20 0 CCADLP CC(C)=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001085531282 821771194 /nfs/dbraw/zinc/77/11/94/821771194.db2.gz PJTKVIHQNQORHM-HUUCEWRRSA-N 2 2 295.427 0.816 20 0 CCADLP CC(C)=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001085531282 821771198 /nfs/dbraw/zinc/77/11/98/821771198.db2.gz PJTKVIHQNQORHM-HUUCEWRRSA-N 2 2 295.427 0.816 20 0 CCADLP CC(C)=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001085531282 821771203 /nfs/dbraw/zinc/77/12/03/821771203.db2.gz PJTKVIHQNQORHM-HUUCEWRRSA-N 2 2 295.427 0.816 20 0 CCADLP CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001085684938 821899858 /nfs/dbraw/zinc/89/98/58/821899858.db2.gz FOPBXBQKQALSBM-NSHDSACASA-N 2 2 280.372 0.902 20 0 CCADLP CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001085684938 821899869 /nfs/dbraw/zinc/89/98/69/821899869.db2.gz FOPBXBQKQALSBM-NSHDSACASA-N 2 2 280.372 0.902 20 0 CCADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000189706810 822278589 /nfs/dbraw/zinc/27/85/89/822278589.db2.gz SVDKDXPRLWFLHA-GJZGRUSLSA-N 2 2 297.443 0.774 20 0 CCADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000189706810 822278597 /nfs/dbraw/zinc/27/85/97/822278597.db2.gz SVDKDXPRLWFLHA-GJZGRUSLSA-N 2 2 297.443 0.774 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@H](C2CC2)[NH+](C)C)[nH]1 ZINC001129444535 837506437 /nfs/dbraw/zinc/50/64/37/837506437.db2.gz UTCHLXDUEYBZSZ-SKDRFNHKSA-N 2 2 294.403 0.220 20 0 CCADLP Cc1nonc1C[NH2+]CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001129526961 837519990 /nfs/dbraw/zinc/51/99/90/837519990.db2.gz VFKFHCUSSOQZQF-UHFFFAOYSA-N 2 2 281.360 0.068 20 0 CCADLP Cc1nonc1C[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129526961 837519996 /nfs/dbraw/zinc/51/99/96/837519996.db2.gz VFKFHCUSSOQZQF-UHFFFAOYSA-N 2 2 281.360 0.068 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[NH2+][C@@H](C)c1ncccn1)[NH+](C)C ZINC001129950461 837591633 /nfs/dbraw/zinc/59/16/33/837591633.db2.gz VBBOMXCBVBJEAS-STQMWFEESA-N 2 2 293.415 0.830 20 0 CCADLP CCOC(=O)C1=C(Nc2cn(C)c[nH+]2)CC[NH2+]C1 ZINC001170515367 837931823 /nfs/dbraw/zinc/93/18/23/837931823.db2.gz KEOPBTUKTCFWQV-UHFFFAOYSA-N 2 2 250.302 0.643 20 0 CCADLP CC(C)[NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130406641 837787554 /nfs/dbraw/zinc/78/75/54/837787554.db2.gz CJKUORHGKNKIMN-NSHDSACASA-N 2 2 250.346 0.560 20 0 CCADLP CC(C)C[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130484475 837808913 /nfs/dbraw/zinc/80/89/13/837808913.db2.gz ODXHOXCNLHXNSE-GFCCVEGCSA-N 2 2 264.373 0.807 20 0 CCADLP CO[C@H](C)C[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001130490504 837813294 /nfs/dbraw/zinc/81/32/94/837813294.db2.gz CXOOHQSNRLMSNK-ZYHUDNBSSA-N 2 2 294.399 0.564 20 0 CCADLP CO[C@H](C)C[NH2+]CCNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001130490504 837813312 /nfs/dbraw/zinc/81/33/12/837813312.db2.gz CXOOHQSNRLMSNK-ZYHUDNBSSA-N 2 2 294.399 0.564 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001183403670 844013537 /nfs/dbraw/zinc/01/35/37/844013537.db2.gz TWNKVAUMKKOEGJ-IJLUTSLNSA-N 2 2 278.356 0.350 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001183403670 844013541 /nfs/dbraw/zinc/01/35/41/844013541.db2.gz TWNKVAUMKKOEGJ-IJLUTSLNSA-N 2 2 278.356 0.350 20 0 CCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@@H]([NH2+]CCCF)C1 ZINC001183773709 844087499 /nfs/dbraw/zinc/08/74/99/844087499.db2.gz UFQDHFCZUAXTHX-CHWSQXEVSA-N 2 2 294.374 0.996 20 0 CCADLP Cc1nc(-n2cc(CC[NH3+])cn2)cc(N2CCOCC2)[nH+]1 ZINC001168948343 836067268 /nfs/dbraw/zinc/06/72/68/836067268.db2.gz MUIQCAHKYDRJSJ-UHFFFAOYSA-N 2 2 288.355 0.309 20 0 CCADLP Nc1cc(Cl)cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169071777 836125733 /nfs/dbraw/zinc/12/57/33/836125733.db2.gz KSNLKAUCXZJKTC-MRVPVSSYSA-N 2 2 267.720 0.365 20 0 CCADLP CCc1ncc(Cl)nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169071778 836126007 /nfs/dbraw/zinc/12/60/07/836126007.db2.gz KTBBYKCSZDMBLN-MRVPVSSYSA-N 2 2 281.747 0.740 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2ocnc2c1 ZINC001169073351 836127576 /nfs/dbraw/zinc/12/75/76/836127576.db2.gz FJOMUVFBNMOOKJ-SECBINFHSA-N 2 2 258.281 0.876 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2cnoc2c1 ZINC001169074584 836127592 /nfs/dbraw/zinc/12/75/92/836127592.db2.gz SNUKJUXRROCBGD-SNVBAGLBSA-N 2 2 258.281 0.876 20 0 CCADLP CNC(=O)c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cc1F ZINC001169075553 836128842 /nfs/dbraw/zinc/12/88/42/836128842.db2.gz STSJKVNBBNSURU-SECBINFHSA-N 2 2 292.314 0.233 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Nc2cc[nH+]cc2C(F)(F)F)C[NH2+]1 ZINC001169131099 836147187 /nfs/dbraw/zinc/14/71/87/836147187.db2.gz UUIACQYDABXUPU-XCBNKYQSSA-N 2 2 289.257 0.838 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Nc2c[nH+]c3c(c2)CCCN3)C[NH2+]1 ZINC001169137021 836149787 /nfs/dbraw/zinc/14/97/87/836149787.db2.gz QWARVEVKRBRDGT-NEPJUHHUSA-N 2 2 276.340 0.043 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN3C(=O)COC[C@H]3C1)C2 ZINC001169155572 836155256 /nfs/dbraw/zinc/15/52/56/836155256.db2.gz RLRAGULZVGMBRV-XJFOESAGSA-N 2 2 279.384 0.155 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN3C(=O)COC[C@H]3C1)C2 ZINC001169155572 836155262 /nfs/dbraw/zinc/15/52/62/836155262.db2.gz RLRAGULZVGMBRV-XJFOESAGSA-N 2 2 279.384 0.155 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCN3C(=O)COC[C@H]3C1)C2 ZINC001169155572 836155267 /nfs/dbraw/zinc/15/52/67/836155267.db2.gz RLRAGULZVGMBRV-XJFOESAGSA-N 2 2 279.384 0.155 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCN3C(=O)COC[C@H]3C1)C2 ZINC001169155572 836155270 /nfs/dbraw/zinc/15/52/70/836155270.db2.gz RLRAGULZVGMBRV-XJFOESAGSA-N 2 2 279.384 0.155 20 0 CCADLP C[C@H]1C[C@H](C[NH2+]CCCNC(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001169204523 836168611 /nfs/dbraw/zinc/16/86/11/836168611.db2.gz NPPOFUCTJWVIIX-QWHCGFSZSA-N 2 2 294.399 0.863 20 0 CCADLP CC[NH+]1CCC([NH+]2CC3(C2)CCN(C)C3=O)CC1 ZINC001169267901 836188289 /nfs/dbraw/zinc/18/82/89/836188289.db2.gz BOGWNJRLZUHWBS-UHFFFAOYSA-N 2 2 251.374 0.635 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H](n2c[nH+]c(C)c2CC[NH3+])CO1 ZINC001169332618 836227812 /nfs/dbraw/zinc/22/78/12/836227812.db2.gz ZSRJECAQQORUBV-YPMHNXCESA-N 2 2 281.356 0.976 20 0 CCADLP C[NH+](C)CCCCC(=O)N1CCc2[nH+]ccn2CC1 ZINC001184057222 844149187 /nfs/dbraw/zinc/14/91/87/844149187.db2.gz UZUMNGRNEKGVAN-UHFFFAOYSA-N 2 2 264.373 1.000 20 0 CCADLP CC(=O)N1CCC[C@@H]([NH2+][C@@]2(C[NH3+])CN3CCC2CC3)C1 ZINC001169584959 836380277 /nfs/dbraw/zinc/38/02/77/836380277.db2.gz CFBOGMWCBOACCV-CABCVRRESA-N 2 2 280.416 0.010 20 0 CCADLP CC(=O)N1CCC[C@@H]([NH2+][C@]2(C[NH3+])CN3CCC2CC3)C1 ZINC001169584961 836382224 /nfs/dbraw/zinc/38/22/24/836382224.db2.gz CFBOGMWCBOACCV-HUUCEWRRSA-N 2 2 280.416 0.010 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNc1c[nH+]ccc1N1CCOCC1 ZINC001169655147 836409001 /nfs/dbraw/zinc/40/90/01/836409001.db2.gz DNPHRJLGAUMOKE-CYBMUJFWSA-N 2 2 292.383 0.661 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNc1c[nH+]ccc1N1CCOCC1 ZINC001169655147 836409008 /nfs/dbraw/zinc/40/90/08/836409008.db2.gz DNPHRJLGAUMOKE-CYBMUJFWSA-N 2 2 292.383 0.661 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)C2([NH+](C)C)CCC2)o1 ZINC001129351889 836494020 /nfs/dbraw/zinc/49/40/20/836494020.db2.gz RGTOAGQYCCDHOO-UHFFFAOYSA-N 2 2 281.360 0.068 20 0 CCADLP Cc1nc(NC[C@H](C)NC(=O)CC[NH+](C)C)cc[nH+]1 ZINC001108689917 836510282 /nfs/dbraw/zinc/51/02/82/836510282.db2.gz ISVDHEKQGQNXRF-JTQLQIEISA-N 2 2 265.361 0.653 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C[NH2+]CCO ZINC001184272994 844185181 /nfs/dbraw/zinc/18/51/81/844185181.db2.gz INSYFEIWJLEAJN-CHWSQXEVSA-N 2 2 294.399 0.409 20 0 CCADLP Clc1nc2c(c(NC[C@H]3COCC[NH2+]3)n1)C[NH2+]C2 ZINC001170030711 836747328 /nfs/dbraw/zinc/74/73/28/836747328.db2.gz DBQPSRZIULTRNT-ZETCQYMHSA-N 2 2 269.736 0.134 20 0 CCADLP COc1ccc2[nH+]ccc(NC[C@@H]3COCC[NH2+]3)c2n1 ZINC001170044180 836780699 /nfs/dbraw/zinc/78/06/99/836780699.db2.gz KTWIEBDKEBCQLN-SNVBAGLBSA-N 2 2 274.324 0.461 20 0 CCADLP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@H]2C[NH2+]CC(F)(F)C2)CC1 ZINC001157741537 837363519 /nfs/dbraw/zinc/36/35/19/837363519.db2.gz ZBUUUEKDKSIUOH-ZYHUDNBSSA-N 2 2 293.333 0.911 20 0 CCADLP COc1c[nH+]c(NCCOCCOCC[NH3+])c2[nH]ccc21 ZINC001170509094 837877229 /nfs/dbraw/zinc/87/72/29/837877229.db2.gz UPIWGMIRXMFEPN-UHFFFAOYSA-N 2 2 294.355 0.975 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH+]2CCN(CCCC[NH3+])CC2)C1 ZINC001170529382 837968389 /nfs/dbraw/zinc/96/83/89/837968389.db2.gz LKSNLBBXSFBMAX-KGLIPLIRSA-N 2 2 283.416 0.685 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)c2ccc3c[nH+]cn3c2)[nH]1 ZINC001131374532 838071333 /nfs/dbraw/zinc/07/13/33/838071333.db2.gz FNODTJVMJZLBDM-UHFFFAOYSA-N 2 2 299.338 0.280 20 0 CCADLP CCc1nocc1C[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131380290 838074272 /nfs/dbraw/zinc/07/42/72/838074272.db2.gz ITDAKYYPAXSWEL-UHFFFAOYSA-N 2 2 291.355 0.648 20 0 CCADLP C[C@@H](O)CCC[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131652543 838167068 /nfs/dbraw/zinc/16/70/68/838167068.db2.gz KEBSUWQOCHSBDK-GFCCVEGCSA-N 2 2 282.388 0.220 20 0 CCADLP COCCCCC[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131655754 838171863 /nfs/dbraw/zinc/17/18/63/838171863.db2.gz AJFUTGZWKHKONM-UHFFFAOYSA-N 2 2 296.415 0.875 20 0 CCADLP C[C@H](O)C[NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001131976035 838279827 /nfs/dbraw/zinc/27/98/27/838279827.db2.gz HJSVKEZFANYPHJ-LBPRGKRZSA-N 2 2 288.351 0.573 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]Cc1ccccn1 ZINC001132079840 838312980 /nfs/dbraw/zinc/31/29/80/838312980.db2.gz OZTSSHTUNHWDNK-UHFFFAOYSA-N 2 2 273.340 0.574 20 0 CCADLP CCOCCC[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132082568 838314287 /nfs/dbraw/zinc/31/42/87/838314287.db2.gz RJSLDYAIKUSNSX-UHFFFAOYSA-N 2 2 268.361 0.406 20 0 CCADLP CC[C@@H](F)C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132082468 838314471 /nfs/dbraw/zinc/31/44/71/838314471.db2.gz POUXYQSNHFAWOZ-LLVKDONJSA-N 2 2 256.325 0.727 20 0 CCADLP C[C@H]1CC[C@@H](C[NH2+]CCNC(=O)CCn2cc[nH+]c2)O1 ZINC001132082977 838315418 /nfs/dbraw/zinc/31/54/18/838315418.db2.gz ZLKVSKGSWGRWJO-STQMWFEESA-N 2 2 280.372 0.547 20 0 CCADLP C[C@H]1C[C@@H](C[NH2+]CCNC(=O)CCn2cc[nH+]c2)CCO1 ZINC001132082426 838315428 /nfs/dbraw/zinc/31/54/28/838315428.db2.gz NRLWPUGGWOVEDJ-KBPBESRZSA-N 2 2 294.399 0.794 20 0 CCADLP COCC[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001132222239 838339905 /nfs/dbraw/zinc/33/99/05/838339905.db2.gz VOQUVUNXRWHOHT-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP COCC[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001132222239 838339910 /nfs/dbraw/zinc/33/99/10/838339910.db2.gz VOQUVUNXRWHOHT-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C[NH2+]CCF ZINC001133196617 838574352 /nfs/dbraw/zinc/57/43/52/838574352.db2.gz VIQZYMFZNXCRGI-NEPJUHHUSA-N 2 2 282.363 0.996 20 0 CCADLP C[NH+](C)CCC(=O)NCC[NH2+]Cc1nc(C(F)F)no1 ZINC001133294407 838590655 /nfs/dbraw/zinc/59/06/55/838590655.db2.gz HQCQBZMAQBNCON-UHFFFAOYSA-N 2 2 291.302 0.165 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)oc1C ZINC001133866736 838759873 /nfs/dbraw/zinc/75/98/73/838759873.db2.gz OJMGANAUTDOWST-MFKMUULPSA-N 2 2 294.399 0.695 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)oc1C ZINC001133866736 838759880 /nfs/dbraw/zinc/75/98/80/838759880.db2.gz OJMGANAUTDOWST-MFKMUULPSA-N 2 2 294.399 0.695 20 0 CCADLP CCc1nnc([C@H](C)[NH2+]CCNC(=O)[C@H](CC)[NH+](C)C)o1 ZINC001133965967 838794503 /nfs/dbraw/zinc/79/45/03/838794503.db2.gz RIUMGWDJYHMFKA-QWRGUYRKSA-N 2 2 297.403 0.739 20 0 CCADLP CC[C@@H](C(=O)NCC[NH2+]Cc1nnc(C2CC2)[nH]1)[NH+](C)C ZINC001133963500 838795141 /nfs/dbraw/zinc/79/51/41/838795141.db2.gz WYIKNTUICJGOKL-NSHDSACASA-N 2 2 294.403 0.228 20 0 CCADLP C[C@H](C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1)[NH2+]CCCO ZINC001134229817 838912822 /nfs/dbraw/zinc/91/28/22/838912822.db2.gz UOYOSLONIVBTQR-NEPJUHHUSA-N 2 2 282.388 0.598 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]Cc1ccsc1 ZINC001134396564 838967139 /nfs/dbraw/zinc/96/71/39/838967139.db2.gz AIFSOTYTMGSSED-UHFFFAOYSA-N 2 2 264.354 0.920 20 0 CCADLP C[NH+](C)CCN1CC2(C[NH+](CC(C)(C)C)C2)OCC1=O ZINC001273532902 844634757 /nfs/dbraw/zinc/63/47/57/844634757.db2.gz PYVOJYAXRVGONZ-UHFFFAOYSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@H](CC(=O)NCC[NH2+]Cc1nccn1C)n1cc[nH+]c1 ZINC001134495433 838993468 /nfs/dbraw/zinc/99/34/68/838993468.db2.gz ZJZZATSGHCLQKD-GFCCVEGCSA-N 2 2 290.371 0.474 20 0 CCADLP C[C@H](CC(=O)NCC[NH2+]CCCF)n1cc[nH+]c1 ZINC001134498479 838995364 /nfs/dbraw/zinc/99/53/64/838995364.db2.gz HWLZBKRIKKIDAC-LLVKDONJSA-N 2 2 256.325 0.900 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@@H]1Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC001170779283 839114992 /nfs/dbraw/zinc/11/49/92/839114992.db2.gz XFNITQPQJNYXAT-STQMWFEESA-N 2 2 273.340 0.319 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CCOC1CCC1 ZINC001135080532 839158585 /nfs/dbraw/zinc/15/85/85/839158585.db2.gz WJUJUUQAKKXKRM-GFCCVEGCSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]CCOC1CCC1 ZINC001135080532 839158588 /nfs/dbraw/zinc/15/85/88/839158588.db2.gz WJUJUUQAKKXKRM-GFCCVEGCSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@@H](C[C@H](C)[NH2+]CCF)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135553044 839294161 /nfs/dbraw/zinc/29/41/61/839294161.db2.gz OPPTVAORSIKMPG-UWVGGRQHSA-N 2 2 256.325 0.795 20 0 CCADLP C[C@H]1C[C@@H](C[NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001135757508 839392370 /nfs/dbraw/zinc/39/23/70/839392370.db2.gz FAIHYPIENDUYSD-RYUDHWBXSA-N 2 2 280.372 0.473 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CC1CC(F)(F)C1 ZINC001135757919 839392769 /nfs/dbraw/zinc/39/27/69/839392769.db2.gz UKOGHMJFSOTQLD-UHFFFAOYSA-N 2 2 272.299 0.703 20 0 CCADLP COCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135798494 839417896 /nfs/dbraw/zinc/41/78/96/839417896.db2.gz HSALAYDGRSFIDY-WDEREUQCSA-N 2 2 268.361 0.472 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CCCC[NH2+]C2)CCN1 ZINC001246089260 839603061 /nfs/dbraw/zinc/60/30/61/839603061.db2.gz BXAIHDXYBGVAAM-AGIUHOORSA-N 2 2 269.389 0.402 20 0 CCADLP CCOC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)CCN1 ZINC001246099871 839612492 /nfs/dbraw/zinc/61/24/92/839612492.db2.gz AEPXZPUFMIZBDM-MROQNXINSA-N 2 2 269.389 0.258 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)CCN1 ZINC001246099864 839612594 /nfs/dbraw/zinc/61/25/94/839612594.db2.gz AEPXZPUFMIZBDM-FVCCEPFGSA-N 2 2 269.389 0.258 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)CN1 ZINC001246118271 839628955 /nfs/dbraw/zinc/62/89/55/839628955.db2.gz OYZBYRBQJZXGDW-MROQNXINSA-N 2 2 269.389 0.258 20 0 CCADLP CC[C@@H](F)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001185919617 844476068 /nfs/dbraw/zinc/47/60/68/844476068.db2.gz XFELRNPDVCMPLG-GHMZBOCLSA-N 2 2 268.336 0.891 20 0 CCADLP CC(C)CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090847772 839851478 /nfs/dbraw/zinc/85/14/78/839851478.db2.gz BLFGOWATWGAOON-UONOGXRCSA-N 2 2 294.399 0.481 20 0 CCADLP CC(C)CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090847772 839851483 /nfs/dbraw/zinc/85/14/83/839851483.db2.gz BLFGOWATWGAOON-UONOGXRCSA-N 2 2 294.399 0.481 20 0 CCADLP CC[C@@]1(C(=O)OC)C[C@@H](N[C@H]2C[C@@H]([NH2+]C)C2)C[NH2+]1 ZINC001246495840 839874174 /nfs/dbraw/zinc/87/41/74/839874174.db2.gz LRJWVSLGIDTZSJ-XZUYRWCXSA-N 2 2 255.362 0.010 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246563604 840032402 /nfs/dbraw/zinc/03/24/02/840032402.db2.gz VHYYAHJLMYRDJC-XJFOESAGSA-N 3 2 253.390 0.445 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246563604 840032410 /nfs/dbraw/zinc/03/24/10/840032410.db2.gz VHYYAHJLMYRDJC-XJFOESAGSA-N 3 2 253.390 0.445 20 0 CCADLP CC[N@H+](C)CCC(=O)NCC[NH2+][C@@H](C)c1csnn1 ZINC001146705763 840342945 /nfs/dbraw/zinc/34/29/45/840342945.db2.gz UDWNUOWUYNFRDE-JTQLQIEISA-N 2 2 285.417 0.647 20 0 CCADLP CC[N@@H+](C)CCC(=O)NCC[NH2+][C@@H](C)c1csnn1 ZINC001146705763 840342954 /nfs/dbraw/zinc/34/29/54/840342954.db2.gz UDWNUOWUYNFRDE-JTQLQIEISA-N 2 2 285.417 0.647 20 0 CCADLP COCCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146757364 840370960 /nfs/dbraw/zinc/37/09/60/840370960.db2.gz OMEWTYPQXFAQKG-OLZOCXBDSA-N 2 2 282.388 0.793 20 0 CCADLP Cc1nocc1C[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149124047 840524463 /nfs/dbraw/zinc/52/44/63/840524463.db2.gz PNYURQUYSINRGN-UHFFFAOYSA-N 2 2 277.328 0.463 20 0 CCADLP Cc1ncoc1C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147877238 840710550 /nfs/dbraw/zinc/71/05/50/840710550.db2.gz HQYXVGXWHPUHCL-UHFFFAOYSA-N 2 2 277.328 0.165 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]C[C@H]1CCCCO1 ZINC001147876997 840710566 /nfs/dbraw/zinc/71/05/66/840710566.db2.gz BORAIRYSPHZFOS-CYBMUJFWSA-N 2 2 280.372 0.238 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CCC[C@H]1CCOC1 ZINC001147877349 840711408 /nfs/dbraw/zinc/71/14/08/840711408.db2.gz HXEIZHUJJUGIBY-ZDUSSCGKSA-N 2 2 294.399 0.485 20 0 CCADLP Cc1cccnc1C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147899960 840717925 /nfs/dbraw/zinc/71/79/25/840717925.db2.gz DZSIJPMFDOYGKI-UHFFFAOYSA-N 2 2 287.367 0.572 20 0 CCADLP CCCCOCC[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147915664 840722572 /nfs/dbraw/zinc/72/25/72/840722572.db2.gz OBKAETYKLJQWTK-UHFFFAOYSA-N 2 2 282.388 0.485 20 0 CCADLP C[C@H](O)CCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186576103 844569691 /nfs/dbraw/zinc/56/96/91/844569691.db2.gz LYWDWJMVBLNZAV-NWDGAFQWSA-N 2 2 280.372 0.304 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001148639070 840873014 /nfs/dbraw/zinc/87/30/14/840873014.db2.gz ZNMABLAYSORHHK-UHFFFAOYSA-N 2 2 294.403 0.230 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC001148639070 840873020 /nfs/dbraw/zinc/87/30/20/840873020.db2.gz ZNMABLAYSORHHK-UHFFFAOYSA-N 2 2 294.403 0.230 20 0 CCADLP CCN(C(=O)[C@@H]([NH3+])C1Cc2ccccc2C1)C1C[NH+](C)C1 ZINC001161137486 840878454 /nfs/dbraw/zinc/87/84/54/840878454.db2.gz FIGCWLYCCVOLPW-INIZCTEOSA-N 2 2 287.407 0.891 20 0 CCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CC[NH+](CCF)C[C@H]1O ZINC001099899626 840958384 /nfs/dbraw/zinc/95/83/84/840958384.db2.gz VZFFTBZCNQLILI-NWDGAFQWSA-N 2 2 289.395 0.238 20 0 CCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CC[NH+](CCF)C[C@H]1O ZINC001099899626 840958388 /nfs/dbraw/zinc/95/83/88/840958388.db2.gz VZFFTBZCNQLILI-NWDGAFQWSA-N 2 2 289.395 0.238 20 0 CCADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[N@H+](CCF)C[C@H]1O ZINC001099899626 840958393 /nfs/dbraw/zinc/95/83/93/840958393.db2.gz VZFFTBZCNQLILI-NWDGAFQWSA-N 2 2 289.395 0.238 20 0 CCADLP CC[NH+](C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001099899626 840958401 /nfs/dbraw/zinc/95/84/01/840958401.db2.gz VZFFTBZCNQLILI-NWDGAFQWSA-N 2 2 289.395 0.238 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H]2CC3(CO2)CCOCC3)C[C@H]1[NH3+] ZINC000712686815 841103960 /nfs/dbraw/zinc/10/39/60/841103960.db2.gz FBUFCXRBZXIAIM-FRRDWIJNSA-N 2 2 254.374 0.851 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H]2CC3(CO2)CCOCC3)C[C@H]1[NH3+] ZINC000712686815 841103963 /nfs/dbraw/zinc/10/39/63/841103963.db2.gz FBUFCXRBZXIAIM-FRRDWIJNSA-N 2 2 254.374 0.851 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)CC(C)(C)S(C)(=O)=O ZINC000713995043 841166142 /nfs/dbraw/zinc/16/61/42/841166142.db2.gz HJULUOBECXKTMN-MNOVXSKESA-N 2 2 262.419 0.597 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CC(C)(C)S(C)(=O)=O ZINC000713995043 841166146 /nfs/dbraw/zinc/16/61/46/841166146.db2.gz HJULUOBECXKTMN-MNOVXSKESA-N 2 2 262.419 0.597 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCF)C1 ZINC001036866627 841439323 /nfs/dbraw/zinc/43/93/23/841439323.db2.gz IIBCOBJXMKAEQI-GXTWGEPZSA-N 2 2 294.374 0.855 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CCF)C1 ZINC001036866627 841439331 /nfs/dbraw/zinc/43/93/31/841439331.db2.gz IIBCOBJXMKAEQI-GXTWGEPZSA-N 2 2 294.374 0.855 20 0 CCADLP Cc1nc(NCCNC(=O)CCC[NH+](C)C)cc[nH+]1 ZINC001094075813 841525934 /nfs/dbraw/zinc/52/59/34/841525934.db2.gz ROULSYDACMULOG-UHFFFAOYSA-N 2 2 265.361 0.655 20 0 CCADLP O=C1C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CN1CC1CC1 ZINC000716758349 841677824 /nfs/dbraw/zinc/67/78/24/841677824.db2.gz LMYHYCIJYNXNGP-OBPPPDSMSA-N 2 2 275.396 0.583 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CC(=O)N(CC2CC2)C1)C1CC1 ZINC000716803739 841682783 /nfs/dbraw/zinc/68/27/83/841682783.db2.gz HFXSPRIWEBEQSD-OCCSQVGLSA-N 2 2 281.400 0.042 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CC(=O)N(CC2CC2)C1)C1CC1 ZINC000716803739 841682787 /nfs/dbraw/zinc/68/27/87/841682787.db2.gz HFXSPRIWEBEQSD-OCCSQVGLSA-N 2 2 281.400 0.042 20 0 CCADLP C[NH+]1C(C)(C)CC([N@@H+]2CCO[C@H](C(N)=O)C2)CC1(C)C ZINC001171639464 841749320 /nfs/dbraw/zinc/74/93/20/841749320.db2.gz KUFKPDNIFWYVHU-LBPRGKRZSA-N 2 2 283.416 0.824 20 0 CCADLP C[NH+]1C(C)(C)CC([N@H+]2CCO[C@H](C(N)=O)C2)CC1(C)C ZINC001171639464 841749329 /nfs/dbraw/zinc/74/93/29/841749329.db2.gz KUFKPDNIFWYVHU-LBPRGKRZSA-N 2 2 283.416 0.824 20 0 CCADLP C[NH+](C)CCC[N@H+](CCC[NH3+])[C@H]1CCN(C2CC2)C(=O)C1 ZINC001172009550 841789374 /nfs/dbraw/zinc/78/93/74/841789374.db2.gz PHZZNWDYFZXZSK-HNNXBMFYSA-N 3 2 296.459 0.742 20 0 CCADLP C[NH+](C)CCC[N@@H+](CCC[NH3+])[C@H]1CCN(C2CC2)C(=O)C1 ZINC001172009550 841789381 /nfs/dbraw/zinc/78/93/81/841789381.db2.gz PHZZNWDYFZXZSK-HNNXBMFYSA-N 3 2 296.459 0.742 20 0 CCADLP CCOCC[NH2+]C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001203337863 841792642 /nfs/dbraw/zinc/79/26/42/841792642.db2.gz XBJNDRYFKSOZFM-UHFFFAOYSA-N 2 2 294.399 0.580 20 0 CCADLP CCN1CC[C@H]([NH2+]CCc2[nH+]ccn2C)CC1=O ZINC001172040905 841816646 /nfs/dbraw/zinc/81/66/46/841816646.db2.gz GTWWBCPEDFNPEX-NSHDSACASA-N 2 2 250.346 0.563 20 0 CCADLP CN1[C@H]2COC[C@@H]1CC([N@@H+]1C[C@H]3CCC[NH+](C)[C@@H]3C1)C2 ZINC001172140730 841844800 /nfs/dbraw/zinc/84/48/00/841844800.db2.gz KGXAAAFWAKOTAX-MOTUXRJWSA-N 2 2 279.428 0.874 20 0 CCADLP CN1[C@H]2COC[C@@H]1CC([N@H+]1C[C@H]3CCC[NH+](C)[C@@H]3C1)C2 ZINC001172140730 841844806 /nfs/dbraw/zinc/84/48/06/841844806.db2.gz KGXAAAFWAKOTAX-MOTUXRJWSA-N 2 2 279.428 0.874 20 0 CCADLP CN1[C@H]2COC[C@@H]1CC([NH+]1C[C@H]3CCC[N@H+](C)[C@@H]3C1)C2 ZINC001172140730 841844813 /nfs/dbraw/zinc/84/48/13/841844813.db2.gz KGXAAAFWAKOTAX-MOTUXRJWSA-N 2 2 279.428 0.874 20 0 CCADLP CN1[C@H]2COC[C@@H]1CC([NH+]1C[C@H]3CCC[N@@H+](C)[C@@H]3C1)C2 ZINC001172140730 841844821 /nfs/dbraw/zinc/84/48/21/841844821.db2.gz KGXAAAFWAKOTAX-MOTUXRJWSA-N 2 2 279.428 0.874 20 0 CCADLP O=C1CC[C@H]2C[C@@H]([NH2+]CC[NH+]3CCCC3)CCN12 ZINC001172149029 841862039 /nfs/dbraw/zinc/86/20/39/841862039.db2.gz XJABMURCWWTQSK-STQMWFEESA-N 2 2 251.374 0.825 20 0 CCADLP COC(=O)[C@H]1CCC[C@H]([NH+]2CC(N3CC[NH+](C)CC3)C2)C1 ZINC001172638234 841949103 /nfs/dbraw/zinc/94/91/03/841949103.db2.gz VGHFRJFRGQRFTE-KBPBESRZSA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+]1CCN(C2C[NH+]([C@@H]3CCc4ncsc4C3)C2)CC1 ZINC001173143244 842006774 /nfs/dbraw/zinc/00/67/74/842006774.db2.gz DWWMEBVSDJAFMP-GFCCVEGCSA-N 2 2 292.452 0.932 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCCC[NH2+]Cc1ccon1 ZINC001176125900 842331740 /nfs/dbraw/zinc/33/17/40/842331740.db2.gz PCLPTCUOLUSSTP-UHFFFAOYSA-N 2 2 277.328 0.476 20 0 CCADLP C[C@@H](O)C[NH2+]CCCC[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001176174274 842333586 /nfs/dbraw/zinc/33/35/86/842333586.db2.gz FCSKCTQRZHNPAW-CHWSQXEVSA-N 2 2 296.415 0.608 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCCC[NH2+]C[C@@H](C)O ZINC001176350336 842362905 /nfs/dbraw/zinc/36/29/05/842362905.db2.gz BOWKFFMOHRWKIG-NWDGAFQWSA-N 2 2 296.415 0.906 20 0 CCADLP COCC[NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001176829394 842416246 /nfs/dbraw/zinc/41/62/46/842416246.db2.gz MKDZRVIMAKRZQR-CYBMUJFWSA-N 2 2 282.388 0.794 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NCCC[NH2+]Cc1cnon1 ZINC001177351902 842561942 /nfs/dbraw/zinc/56/19/42/842561942.db2.gz XHFLBZUYBVUTSI-UHFFFAOYSA-N 2 2 292.343 0.342 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@H]1C ZINC001178594917 842876832 /nfs/dbraw/zinc/87/68/32/842876832.db2.gz MINZXGDMMDWCKH-AVGNSLFASA-N 2 2 294.399 0.956 20 0 CCADLP C[C@H](C(=O)NCC1([NH+]2CCCC2)COC1)[NH+]1CCCC1 ZINC001180583267 843217376 /nfs/dbraw/zinc/21/73/76/843217376.db2.gz XILRDMXDAUELAP-CYBMUJFWSA-N 2 2 281.400 0.452 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H]2C[NH+]2CCCC2)C1 ZINC001180761439 843288074 /nfs/dbraw/zinc/28/80/74/843288074.db2.gz ZBJCWQXDASVKJJ-HUUCEWRRSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H]2C[NH+]2CCCC2)C1 ZINC001180761439 843288084 /nfs/dbraw/zinc/28/80/84/843288084.db2.gz ZBJCWQXDASVKJJ-HUUCEWRRSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N(CC[NH3+])c2ccc(F)cc2)C1 ZINC001180763591 843294997 /nfs/dbraw/zinc/29/49/97/843294997.db2.gz WLWAXFBUQOEBJQ-CYBMUJFWSA-N 2 2 281.331 0.448 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N(CC[NH3+])c2ccc(F)cc2)C1 ZINC001180763591 843295008 /nfs/dbraw/zinc/29/50/08/843295008.db2.gz WLWAXFBUQOEBJQ-CYBMUJFWSA-N 2 2 281.331 0.448 20 0 CCADLP Cn1cc[nH+]c1CCNC(=O)C12CC[NH+](CC1)CC2 ZINC001181555566 843524599 /nfs/dbraw/zinc/52/45/99/843524599.db2.gz PZHZDVHOGUETLL-UHFFFAOYSA-N 2 2 262.357 0.565 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](CCc2cc(F)c(F)cc2F)C[C@H]1O ZINC001206465318 843627356 /nfs/dbraw/zinc/62/73/56/843627356.db2.gz ZYSRSFVJYSRRCF-TVQRCGJNSA-N 2 2 274.286 0.898 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CCc2cc(F)c(F)cc2F)C[C@H]1O ZINC001206465318 843627359 /nfs/dbraw/zinc/62/73/59/843627359.db2.gz ZYSRSFVJYSRRCF-TVQRCGJNSA-N 2 2 274.286 0.898 20 0 CCADLP O=C(NCC[NH+]1CC2(COC2)C1)[C@@H]1CCC[N@@H+]1CC1CC1 ZINC001182560542 843862888 /nfs/dbraw/zinc/86/28/88/843862888.db2.gz HEAJEOJDJYFWDQ-AWEZNQCLSA-N 2 2 293.411 0.309 20 0 CCADLP O=C(NCC[NH+]1CC2(COC2)C1)[C@@H]1CCC[N@H+]1CC1CC1 ZINC001182560542 843862898 /nfs/dbraw/zinc/86/28/98/843862898.db2.gz HEAJEOJDJYFWDQ-AWEZNQCLSA-N 2 2 293.411 0.309 20 0 CCADLP COc1cc(O)cc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206531009 843882819 /nfs/dbraw/zinc/88/28/19/843882819.db2.gz ZOMUJGKSBVSHAM-GWCFXTLKSA-N 2 2 252.314 0.152 20 0 CCADLP COc1cc(O)cc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206531009 843882828 /nfs/dbraw/zinc/88/28/28/843882828.db2.gz ZOMUJGKSBVSHAM-GWCFXTLKSA-N 2 2 252.314 0.152 20 0 CCADLP CC[C@H](C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)OC ZINC001188368782 844873943 /nfs/dbraw/zinc/87/39/43/844873943.db2.gz KARJKNWGQQTPPP-CHWSQXEVSA-N 2 2 280.372 0.499 20 0 CCADLP COCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001190754564 845492241 /nfs/dbraw/zinc/49/22/41/845492241.db2.gz JKRUMVUEROPZQU-JHJVBQTASA-N 2 2 292.383 0.692 20 0 CCADLP COCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001190754564 845492246 /nfs/dbraw/zinc/49/22/46/845492246.db2.gz JKRUMVUEROPZQU-JHJVBQTASA-N 2 2 292.383 0.692 20 0 CCADLP COCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001190754564 845492252 /nfs/dbraw/zinc/49/22/52/845492252.db2.gz JKRUMVUEROPZQU-JHJVBQTASA-N 2 2 292.383 0.692 20 0 CCADLP COCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001190754564 845492257 /nfs/dbraw/zinc/49/22/57/845492257.db2.gz JKRUMVUEROPZQU-JHJVBQTASA-N 2 2 292.383 0.692 20 0 CCADLP CCN(CC[NH2+]C[C@@H]1CC[C@H](C)O1)C(=O)Cc1c[nH+]c[nH]1 ZINC001273628329 845756703 /nfs/dbraw/zinc/75/67/03/845756703.db2.gz DSQXLAWAHMJXHF-JSGCOSHPSA-N 2 2 294.399 0.958 20 0 CCADLP COCCCC[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192552161 845866404 /nfs/dbraw/zinc/86/64/04/845866404.db2.gz XSIOGXAVNIDSOE-AWEZNQCLSA-N 2 2 294.399 0.912 20 0 CCADLP COCCCC[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192552161 845866410 /nfs/dbraw/zinc/86/64/10/845866410.db2.gz XSIOGXAVNIDSOE-AWEZNQCLSA-N 2 2 294.399 0.912 20 0 CCADLP COCC[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194449216 846291400 /nfs/dbraw/zinc/29/14/00/846291400.db2.gz QUJCPAXODUETSZ-GFCCVEGCSA-N 2 2 266.345 0.062 20 0 CCADLP COCC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194449216 846291410 /nfs/dbraw/zinc/29/14/10/846291410.db2.gz QUJCPAXODUETSZ-GFCCVEGCSA-N 2 2 266.345 0.062 20 0 CCADLP CCN(CC[NH2+]C[C@H]1CCCCO1)C(=O)Cc1[nH]cc[nH+]1 ZINC001273681418 846335364 /nfs/dbraw/zinc/33/53/64/846335364.db2.gz REOZEURWHBSRDE-CYBMUJFWSA-N 2 2 294.399 0.959 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2cccnc2F)C1 ZINC001205673615 846378204 /nfs/dbraw/zinc/37/82/04/846378204.db2.gz SASADQBGPFPZMA-ZDUSSCGKSA-N 2 2 253.321 0.896 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2cccnc2F)C1 ZINC001205673615 846378211 /nfs/dbraw/zinc/37/82/11/846378211.db2.gz SASADQBGPFPZMA-ZDUSSCGKSA-N 2 2 253.321 0.896 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O ZINC001196826964 846805402 /nfs/dbraw/zinc/80/54/02/846805402.db2.gz ODWWTGSEAPQYEL-LERXQTSPSA-N 2 2 292.383 0.160 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001196826964 846805409 /nfs/dbraw/zinc/80/54/09/846805409.db2.gz ODWWTGSEAPQYEL-LERXQTSPSA-N 2 2 292.383 0.160 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O ZINC001196826964 846805418 /nfs/dbraw/zinc/80/54/18/846805418.db2.gz ODWWTGSEAPQYEL-LERXQTSPSA-N 2 2 292.383 0.160 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001196826964 846805424 /nfs/dbraw/zinc/80/54/24/846805424.db2.gz ODWWTGSEAPQYEL-LERXQTSPSA-N 2 2 292.383 0.160 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2ncccn2)C1 ZINC001198165213 847057881 /nfs/dbraw/zinc/05/78/81/847057881.db2.gz PDKGGIYMZBKXCY-CHWSQXEVSA-N 2 2 264.373 0.579 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2ncccn2)C1 ZINC001198165213 847057889 /nfs/dbraw/zinc/05/78/89/847057889.db2.gz PDKGGIYMZBKXCY-CHWSQXEVSA-N 2 2 264.373 0.579 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](c2ncccn2)C1 ZINC001198165213 847057897 /nfs/dbraw/zinc/05/78/97/847057897.db2.gz PDKGGIYMZBKXCY-CHWSQXEVSA-N 2 2 264.373 0.579 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](c2ncccn2)C1 ZINC001198165213 847057902 /nfs/dbraw/zinc/05/79/02/847057902.db2.gz PDKGGIYMZBKXCY-CHWSQXEVSA-N 2 2 264.373 0.579 20 0 CCADLP CC/C=C\CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001199405684 847325326 /nfs/dbraw/zinc/32/53/26/847325326.db2.gz JCRLBUGCHSMCBU-JHZNUDOXSA-N 2 2 292.383 0.401 20 0 CCADLP CCn1ccc(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)n1 ZINC001200161835 847549041 /nfs/dbraw/zinc/54/90/41/847549041.db2.gz NVCXBAVMYZBLAD-CYBMUJFWSA-N 2 2 265.405 0.629 20 0 CCADLP CC(C)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCCO1 ZINC001202217059 847869119 /nfs/dbraw/zinc/86/91/19/847869119.db2.gz NKYRNVPWHRINMY-CQSZACIVSA-N 2 2 294.399 0.746 20 0 CCADLP COc1cncc(C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)c1 ZINC001253408378 848210964 /nfs/dbraw/zinc/21/09/64/848210964.db2.gz CVXILDWWKCAFEB-LBPRGKRZSA-N 2 2 267.373 0.929 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC001137894719 848214651 /nfs/dbraw/zinc/21/46/51/848214651.db2.gz ZFVWSRBFUFIWJB-QWRGUYRKSA-N 2 2 250.346 0.812 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC001137894719 848214662 /nfs/dbraw/zinc/21/46/62/848214662.db2.gz ZFVWSRBFUFIWJB-QWRGUYRKSA-N 2 2 250.346 0.812 20 0 CCADLP C[N@@H+]1CC[C@H](CC(=O)NC/C=C\C[NH2+]Cc2cnon2)C1 ZINC001274507019 848491799 /nfs/dbraw/zinc/49/17/99/848491799.db2.gz CAFWMSQZWJNSEI-ZZKXABKFSA-N 2 2 293.371 0.173 20 0 CCADLP C[N@H+]1CC[C@H](CC(=O)NC/C=C\C[NH2+]Cc2cnon2)C1 ZINC001274507019 848491807 /nfs/dbraw/zinc/49/18/07/848491807.db2.gz CAFWMSQZWJNSEI-ZZKXABKFSA-N 2 2 293.371 0.173 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)NC)CC1 ZINC001274657469 848533457 /nfs/dbraw/zinc/53/34/57/848533457.db2.gz XUSYYAPYJFIRFE-UONOGXRCSA-N 2 2 297.443 0.537 20 0 CCADLP CC(=O)N1CCC[C@H](C[NH+]2CC3(C2)CC[N@H+](C)C3)C1 ZINC001274918359 848593290 /nfs/dbraw/zinc/59/32/90/848593290.db2.gz AWKYTMKUDHIOOE-CQSZACIVSA-N 2 2 265.401 0.882 20 0 CCADLP CC(=O)N1CCC[C@H](C[NH+]2CC3(C2)CC[N@@H+](C)C3)C1 ZINC001274918359 848593289 /nfs/dbraw/zinc/59/32/89/848593289.db2.gz AWKYTMKUDHIOOE-CQSZACIVSA-N 2 2 265.401 0.882 20 0 CCADLP C[N@@H+]1CCC[C@]2(CN(CCn3cc[nH+]c3)CCO2)C1 ZINC001275047684 848621351 /nfs/dbraw/zinc/62/13/51/848621351.db2.gz ZQGNRDYRNQQXEV-CQSZACIVSA-N 2 2 264.373 0.680 20 0 CCADLP C[N@H+]1CCC[C@]2(CN(CCn3cc[nH+]c3)CCO2)C1 ZINC001275047684 848621357 /nfs/dbraw/zinc/62/13/57/848621357.db2.gz ZQGNRDYRNQQXEV-CQSZACIVSA-N 2 2 264.373 0.680 20 0 CCADLP Cn1cccc1C[N@H+]1[C@@H]2C[C@H]1CN(CC[NH+](C)C)C2 ZINC001275234405 848675043 /nfs/dbraw/zinc/67/50/43/848675043.db2.gz QNHVUJQOZVQVOO-GASCZTMLSA-N 2 2 262.401 0.845 20 0 CCADLP Cn1cccc1C[N@@H+]1[C@@H]2C[C@H]1CN(CC[NH+](C)C)C2 ZINC001275234405 848675046 /nfs/dbraw/zinc/67/50/46/848675046.db2.gz QNHVUJQOZVQVOO-GASCZTMLSA-N 2 2 262.401 0.845 20 0 CCADLP C[C@@H](C[NH2+]CC1CCC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001275319456 848689721 /nfs/dbraw/zinc/68/97/21/848689721.db2.gz GTNIJNKYMIMGOV-JTQLQIEISA-N 2 2 250.346 0.847 20 0 CCADLP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3cnco3)C[C@H]21 ZINC001276161577 848943182 /nfs/dbraw/zinc/94/31/82/848943182.db2.gz OXZSPTZRNANYRK-KGLIPLIRSA-N 2 2 280.372 0.121 20 0 CCADLP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3cnco3)C[C@H]21 ZINC001276161577 848943190 /nfs/dbraw/zinc/94/31/90/848943190.db2.gz OXZSPTZRNANYRK-KGLIPLIRSA-N 2 2 280.372 0.121 20 0 CCADLP C[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4ncco4)CC3)[C@@H]2C1 ZINC001276190809 848955078 /nfs/dbraw/zinc/95/50/78/848955078.db2.gz OAJMAYLHXPSJSJ-VXGBXAGGSA-N 2 2 290.367 0.317 20 0 CCADLP C[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4ncco4)CC3)[C@@H]2C1 ZINC001276190809 848955081 /nfs/dbraw/zinc/95/50/81/848955081.db2.gz OAJMAYLHXPSJSJ-VXGBXAGGSA-N 2 2 290.367 0.317 20 0 CCADLP CCOC(=O)[C@H]1CC[C@@H]([NH2+]C2(CO)CC[NH+](C)CC2)C1 ZINC001257045991 849001231 /nfs/dbraw/zinc/00/12/31/849001231.db2.gz FMDUMQDUNPXFMS-QWHCGFSZSA-N 2 2 284.400 0.765 20 0 CCADLP c1cn(CCC[N@@H+]2CC[C@@H](C3OCCO3)C2)c[nH+]1 ZINC000719008594 849285426 /nfs/dbraw/zinc/28/54/26/849285426.db2.gz CUJHEHITMLQMCY-GFCCVEGCSA-N 2 2 251.330 0.968 20 0 CCADLP c1cn(CCC[N@H+]2CC[C@@H](C3OCCO3)C2)c[nH+]1 ZINC000719008594 849285434 /nfs/dbraw/zinc/28/54/34/849285434.db2.gz CUJHEHITMLQMCY-GFCCVEGCSA-N 2 2 251.330 0.968 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](C(C)(C)O)C1 ZINC000719635347 849321449 /nfs/dbraw/zinc/32/14/49/849321449.db2.gz AUFLBNGSJDHIDT-UONOGXRCSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](C(C)(C)O)C1 ZINC000719635347 849321459 /nfs/dbraw/zinc/32/14/59/849321459.db2.gz AUFLBNGSJDHIDT-UONOGXRCSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000719635347 849321466 /nfs/dbraw/zinc/32/14/66/849321466.db2.gz AUFLBNGSJDHIDT-UONOGXRCSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000719635347 849321469 /nfs/dbraw/zinc/32/14/69/849321469.db2.gz AUFLBNGSJDHIDT-UONOGXRCSA-N 2 2 288.432 0.408 20 0 CCADLP CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1[NH2+]CCO ZINC001037937330 849609368 /nfs/dbraw/zinc/60/93/68/849609368.db2.gz ZFQGJDXLUJGUTK-DGCLKSJQSA-N 2 2 280.372 0.161 20 0 CCADLP C[NH+]1CCC([NH2+]CCS(=O)(=O)N2CCCC2)CC1 ZINC000381356101 849754520 /nfs/dbraw/zinc/75/45/20/849754520.db2.gz NLSKYGKRLVOPHB-UHFFFAOYSA-N 2 2 275.418 0.096 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@]2(CC[N@@H+](CCCO)C2)C1 ZINC001041712307 850489458 /nfs/dbraw/zinc/48/94/58/850489458.db2.gz MWBZRNCKSGQPNN-OAHLLOKOSA-N 2 2 292.383 0.259 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@]2(CC[N@H+](CCCO)C2)C1 ZINC001041712307 850489463 /nfs/dbraw/zinc/48/94/63/850489463.db2.gz MWBZRNCKSGQPNN-OAHLLOKOSA-N 2 2 292.383 0.259 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001041856086 850511244 /nfs/dbraw/zinc/51/12/44/850511244.db2.gz YBVGBFWKXDZNJI-HIFRSBDPSA-N 2 2 292.383 0.188 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001041856086 850511257 /nfs/dbraw/zinc/51/12/57/850511257.db2.gz YBVGBFWKXDZNJI-HIFRSBDPSA-N 2 2 292.383 0.188 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]2CC[N@@H+](CCCO)[C@@H]2C1 ZINC001042250335 850602704 /nfs/dbraw/zinc/60/27/04/850602704.db2.gz SUPFGKRGTICLQI-GXTWGEPZSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]2CC[N@H+](CCCO)[C@@H]2C1 ZINC001042250335 850602713 /nfs/dbraw/zinc/60/27/13/850602713.db2.gz SUPFGKRGTICLQI-GXTWGEPZSA-N 2 2 292.383 0.257 20 0 CCADLP C[C@H](F)CC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042546078 850690468 /nfs/dbraw/zinc/69/04/68/850690468.db2.gz QCTVQQARSIRGGV-AAEUAGOBSA-N 2 2 271.380 0.971 20 0 CCADLP C[C@H](F)CC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001042546078 850690472 /nfs/dbraw/zinc/69/04/72/850690472.db2.gz QCTVQQARSIRGGV-AAEUAGOBSA-N 2 2 271.380 0.971 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N(C)C1C[NH+](CC(C)C)C1 ZINC001044300475 851070945 /nfs/dbraw/zinc/07/09/45/851070945.db2.gz VNJLZLIOZANBNF-UHFFFAOYSA-N 2 2 264.373 0.990 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCO)CCN1C(=O)CCc1[nH+]ccn1C ZINC001044685719 851142839 /nfs/dbraw/zinc/14/28/39/851142839.db2.gz PBEABGJSLQVQQN-CHWSQXEVSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCF)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001044805241 851161291 /nfs/dbraw/zinc/16/12/91/851161291.db2.gz GMSBDVCPOFTBFB-QWRGUYRKSA-N 2 2 268.336 0.891 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCF)CCN1C(=O)Cc1c[nH+]cn1C ZINC001044820811 851165720 /nfs/dbraw/zinc/16/57/20/851165720.db2.gz RWGGOWMGOWYNCV-NEPJUHHUSA-N 2 2 282.363 0.901 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365633790 851231062 /nfs/dbraw/zinc/23/10/62/851231062.db2.gz WQKFRVZTPZJPQV-NXEZZACHSA-N 2 2 279.344 0.183 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365633790 851231069 /nfs/dbraw/zinc/23/10/69/851231069.db2.gz WQKFRVZTPZJPQV-NXEZZACHSA-N 2 2 279.344 0.183 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@]2(C)CC[NH+](CC3CC3)C2)C1 ZINC001046216497 851426927 /nfs/dbraw/zinc/42/69/27/851426927.db2.gz BNJVMJKGAQSRDD-HIFRSBDPSA-N 2 2 281.400 0.308 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@]2(C)CC[NH+](CC3CC3)C2)C1 ZINC001046216497 851426930 /nfs/dbraw/zinc/42/69/30/851426930.db2.gz BNJVMJKGAQSRDD-HIFRSBDPSA-N 2 2 281.400 0.308 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CC3CC3)C2)C1 ZINC001046216497 851426933 /nfs/dbraw/zinc/42/69/33/851426933.db2.gz BNJVMJKGAQSRDD-HIFRSBDPSA-N 2 2 281.400 0.308 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CC3CC3)C2)C1 ZINC001046216497 851426935 /nfs/dbraw/zinc/42/69/35/851426935.db2.gz BNJVMJKGAQSRDD-HIFRSBDPSA-N 2 2 281.400 0.308 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCF)C2 ZINC001047182453 851678421 /nfs/dbraw/zinc/67/84/21/851678421.db2.gz ZFKDVVARJOSQLD-XQQFMLRXSA-N 2 2 294.374 0.901 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCF)C2 ZINC001047182453 851678427 /nfs/dbraw/zinc/67/84/27/851678427.db2.gz ZFKDVVARJOSQLD-XQQFMLRXSA-N 2 2 294.374 0.901 20 0 CCADLP C[C@@H]([NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1)[C@@H]1CCC[NH2+]1 ZINC000902499270 851961195 /nfs/dbraw/zinc/96/11/95/851961195.db2.gz IVNHTAFIJBPMLT-WOPDTQHZSA-N 2 2 277.372 0.491 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2C[N@H+](CCF)C[C@@H]2C1 ZINC001048792701 852062212 /nfs/dbraw/zinc/06/22/12/852062212.db2.gz UAMARAUBYQGQJN-TXEJJXNPSA-N 2 2 280.347 0.702 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2C[N@@H+](CCF)C[C@@H]2C1 ZINC001048792701 852062219 /nfs/dbraw/zinc/06/22/19/852062219.db2.gz UAMARAUBYQGQJN-TXEJJXNPSA-N 2 2 280.347 0.702 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCO ZINC001049622944 852322060 /nfs/dbraw/zinc/32/20/60/852322060.db2.gz AFCTWBZAQRCVLK-ZIAGYGMSSA-N 2 2 292.383 0.331 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCO ZINC001049622944 852322069 /nfs/dbraw/zinc/32/20/69/852322069.db2.gz AFCTWBZAQRCVLK-ZIAGYGMSSA-N 2 2 292.383 0.331 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCO ZINC001049867797 852387816 /nfs/dbraw/zinc/38/78/16/852387816.db2.gz PHMLHIOSXJRWOJ-KBPBESRZSA-N 2 2 292.383 0.318 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCO ZINC001049867797 852387826 /nfs/dbraw/zinc/38/78/26/852387826.db2.gz PHMLHIOSXJRWOJ-KBPBESRZSA-N 2 2 292.383 0.318 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2CCF ZINC001096887446 852462063 /nfs/dbraw/zinc/46/20/63/852462063.db2.gz JZFNKDIYVMKIME-FVCCEPFGSA-N 2 2 269.364 0.772 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCF ZINC001096887446 852462069 /nfs/dbraw/zinc/46/20/69/852462069.db2.gz JZFNKDIYVMKIME-FVCCEPFGSA-N 2 2 269.364 0.772 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCF ZINC001096887446 852462072 /nfs/dbraw/zinc/46/20/72/852462072.db2.gz JZFNKDIYVMKIME-FVCCEPFGSA-N 2 2 269.364 0.772 20 0 CCADLP COC[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052750936 852650882 /nfs/dbraw/zinc/65/08/82/852650882.db2.gz ONZRFIJZJMNTGA-QWHCGFSZSA-N 2 2 294.399 0.958 20 0 CCADLP COC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052750936 852650888 /nfs/dbraw/zinc/65/08/88/852650888.db2.gz ONZRFIJZJMNTGA-QWHCGFSZSA-N 2 2 294.399 0.958 20 0 CCADLP CC(C)[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCCC[N@@H+]1C)CCO2 ZINC001053309458 852726816 /nfs/dbraw/zinc/72/68/16/852726816.db2.gz ISMOWNFLVCVKQH-AWEZNQCLSA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCCC[N@H+]1C)CCO2 ZINC001053309458 852726821 /nfs/dbraw/zinc/72/68/21/852726821.db2.gz ISMOWNFLVCVKQH-AWEZNQCLSA-N 2 2 295.427 0.792 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CCO2 ZINC001053414772 852740792 /nfs/dbraw/zinc/74/07/92/852740792.db2.gz SGUCGOJPKPBOFS-CQSZACIVSA-N 2 2 297.443 0.896 20 0 CCADLP CC(C)[NH+]1CC2(C1)CN(C(=O)[C@H]1C[N@H+](C)C[C@H]1C)CCO2 ZINC001053429975 852742379 /nfs/dbraw/zinc/74/23/79/852742379.db2.gz FMYBPEXCISCHNA-KGLIPLIRSA-N 2 2 295.427 0.506 20 0 CCADLP CC(C)[NH+]1CC2(C1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@H]1C)CCO2 ZINC001053429975 852742381 /nfs/dbraw/zinc/74/23/81/852742381.db2.gz FMYBPEXCISCHNA-KGLIPLIRSA-N 2 2 295.427 0.506 20 0 CCADLP CC(C)[NH+]1CC2(C1)CN(C(=O)C[N@@H+]1CCC[C@@H]1C)CCO2 ZINC001053429101 852742860 /nfs/dbraw/zinc/74/28/60/852742860.db2.gz FSGFRZVDKXXETG-AWEZNQCLSA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)[NH+]1CC2(C1)CN(C(=O)C[N@H+]1CCC[C@@H]1C)CCO2 ZINC001053429101 852742866 /nfs/dbraw/zinc/74/28/66/852742866.db2.gz FSGFRZVDKXXETG-AWEZNQCLSA-N 2 2 295.427 0.792 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CCOC2(C[NH+](C(C)C)C2)C1 ZINC001053533149 852755881 /nfs/dbraw/zinc/75/58/81/852755881.db2.gz PSVMNUGRPLSAKR-UHFFFAOYSA-N 2 2 292.383 0.513 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1COC2(C[NH+](CCCF)C2)C1 ZINC001053758265 852808820 /nfs/dbraw/zinc/80/88/20/852808820.db2.gz OKFVLJSOSVYHDR-STQMWFEESA-N 2 2 299.390 0.400 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1COC2(C[NH+](CCCF)C2)C1 ZINC001053758265 852808824 /nfs/dbraw/zinc/80/88/24/852808824.db2.gz OKFVLJSOSVYHDR-STQMWFEESA-N 2 2 299.390 0.400 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1COC2(C[NH+](CC3CC3)C2)C1 ZINC001054022258 852870888 /nfs/dbraw/zinc/87/08/88/852870888.db2.gz DKBCEKRLRALJJS-CYBMUJFWSA-N 2 2 290.367 0.253 20 0 CCADLP C[C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1[NH2+]CCF ZINC001054828879 853021162 /nfs/dbraw/zinc/02/11/62/853021162.db2.gz CBAZFZDUFIYWOK-GXFFZTMASA-N 2 2 298.362 0.756 20 0 CCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1[NH2+]CCF ZINC001054951427 853042356 /nfs/dbraw/zinc/04/23/56/853042356.db2.gz NFUGKYIOQKFGJJ-NEPJUHHUSA-N 2 2 268.336 0.679 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1COCC[NH+]1CC1CCC1 ZINC001050849089 853460935 /nfs/dbraw/zinc/46/09/35/853460935.db2.gz SMAAKTRRKUHLIC-LSDHHAIUSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1COCC[NH+]1CC1CCC1 ZINC001050849089 853460938 /nfs/dbraw/zinc/46/09/38/853460938.db2.gz SMAAKTRRKUHLIC-LSDHHAIUSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001050849089 853460941 /nfs/dbraw/zinc/46/09/41/853460941.db2.gz SMAAKTRRKUHLIC-LSDHHAIUSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1COCC[N@H+]1CC1CCC1 ZINC001050849089 853460943 /nfs/dbraw/zinc/46/09/43/853460943.db2.gz SMAAKTRRKUHLIC-LSDHHAIUSA-N 2 2 295.427 0.698 20 0 CCADLP CC(C)C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001050849545 853461040 /nfs/dbraw/zinc/46/10/40/853461040.db2.gz XCZBOOIUAOOJBA-KGLIPLIRSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001050849545 853461042 /nfs/dbraw/zinc/46/10/42/853461042.db2.gz XCZBOOIUAOOJBA-KGLIPLIRSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)C[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001050849545 853461045 /nfs/dbraw/zinc/46/10/45/853461045.db2.gz XCZBOOIUAOOJBA-KGLIPLIRSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)C[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001050849545 853461048 /nfs/dbraw/zinc/46/10/48/853461048.db2.gz XCZBOOIUAOOJBA-KGLIPLIRSA-N 2 2 283.416 0.554 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1COCC[NH+]1CC1CCC1 ZINC001050849088 853461434 /nfs/dbraw/zinc/46/14/34/853461434.db2.gz SMAAKTRRKUHLIC-HUUCEWRRSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1COCC[NH+]1CC1CCC1 ZINC001050849088 853461437 /nfs/dbraw/zinc/46/14/37/853461437.db2.gz SMAAKTRRKUHLIC-HUUCEWRRSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001050849088 853461442 /nfs/dbraw/zinc/46/14/42/853461442.db2.gz SMAAKTRRKUHLIC-HUUCEWRRSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001050849088 853461447 /nfs/dbraw/zinc/46/14/47/853461447.db2.gz SMAAKTRRKUHLIC-HUUCEWRRSA-N 2 2 295.427 0.698 20 0 CCADLP CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CCO1 ZINC001051691125 853625868 /nfs/dbraw/zinc/62/58/68/853625868.db2.gz ZUSOGOZSTBFACI-STQMWFEESA-N 2 2 292.383 0.282 20 0 CCADLP Cc1nc(N2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc[nH+]1 ZINC001058373511 853835367 /nfs/dbraw/zinc/83/53/67/853835367.db2.gz KGLOQTHZYREFHP-OLZOCXBDSA-N 2 2 289.383 0.432 20 0 CCADLP Cc1nc(N2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc[nH+]1 ZINC001058373511 853835370 /nfs/dbraw/zinc/83/53/70/853835370.db2.gz KGLOQTHZYREFHP-OLZOCXBDSA-N 2 2 289.383 0.432 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000386541337 853940611 /nfs/dbraw/zinc/94/06/11/853940611.db2.gz RGYMMSRNQYYXSG-MJBXVCDLSA-N 3 2 255.406 0.183 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000386541337 853940616 /nfs/dbraw/zinc/94/06/16/853940616.db2.gz RGYMMSRNQYYXSG-MJBXVCDLSA-N 3 2 255.406 0.183 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000386541337 853940619 /nfs/dbraw/zinc/94/06/19/853940619.db2.gz RGYMMSRNQYYXSG-MJBXVCDLSA-N 3 2 255.406 0.183 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000386541337 853940622 /nfs/dbraw/zinc/94/06/22/853940622.db2.gz RGYMMSRNQYYXSG-MJBXVCDLSA-N 3 2 255.406 0.183 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[N@@H+]1CCCO ZINC001071991814 854331166 /nfs/dbraw/zinc/33/11/66/854331166.db2.gz GWTKJMUHJCCLBA-CHWSQXEVSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[N@H+]1CCCO ZINC001071991814 854331184 /nfs/dbraw/zinc/33/11/84/854331184.db2.gz GWTKJMUHJCCLBA-CHWSQXEVSA-N 2 2 294.399 0.314 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCO)C1 ZINC001072029822 854338690 /nfs/dbraw/zinc/33/86/90/854338690.db2.gz KEROGZIECRCMKA-ZYHUDNBSSA-N 2 2 280.372 0.222 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCO)C1 ZINC001072029822 854338698 /nfs/dbraw/zinc/33/86/98/854338698.db2.gz KEROGZIECRCMKA-ZYHUDNBSSA-N 2 2 280.372 0.222 20 0 CCADLP CC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001072123274 854349722 /nfs/dbraw/zinc/34/97/22/854349722.db2.gz QDPBFEQVGJKORP-VXGBXAGGSA-N 2 2 250.346 0.872 20 0 CCADLP CC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001072123274 854349731 /nfs/dbraw/zinc/34/97/31/854349731.db2.gz QDPBFEQVGJKORP-VXGBXAGGSA-N 2 2 250.346 0.872 20 0 CCADLP CC(C)[N@@H+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001073080419 854526580 /nfs/dbraw/zinc/52/65/80/854526580.db2.gz GXHSVQOAXJFTRP-UHFFFAOYSA-N 2 2 262.357 0.895 20 0 CCADLP CC(C)[N@H+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001073080419 854526583 /nfs/dbraw/zinc/52/65/83/854526583.db2.gz GXHSVQOAXJFTRP-UHFFFAOYSA-N 2 2 262.357 0.895 20 0 CCADLP COC[C@H](C)[N@@H+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001073081163 854527070 /nfs/dbraw/zinc/52/70/70/854527070.db2.gz XGCMUEMKQWVTGH-LBPRGKRZSA-N 2 2 292.383 0.521 20 0 CCADLP COC[C@H](C)[N@H+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001073081163 854527074 /nfs/dbraw/zinc/52/70/74/854527074.db2.gz XGCMUEMKQWVTGH-LBPRGKRZSA-N 2 2 292.383 0.521 20 0 CCADLP CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@H]21 ZINC001074268824 854705842 /nfs/dbraw/zinc/70/58/42/854705842.db2.gz OSHZVFUAONAJQE-HUUCEWRRSA-N 2 2 295.427 0.792 20 0 CCADLP CC[N@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@H]21 ZINC001074268824 854705843 /nfs/dbraw/zinc/70/58/43/854705843.db2.gz OSHZVFUAONAJQE-HUUCEWRRSA-N 2 2 295.427 0.792 20 0 CCADLP CC[NH+]1CCO[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC001074268824 854705844 /nfs/dbraw/zinc/70/58/44/854705844.db2.gz OSHZVFUAONAJQE-HUUCEWRRSA-N 2 2 295.427 0.792 20 0 CCADLP CC[NH+]1CCO[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]21 ZINC001074268824 854705845 /nfs/dbraw/zinc/70/58/45/854705845.db2.gz OSHZVFUAONAJQE-HUUCEWRRSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CCF)CCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001074717254 854770349 /nfs/dbraw/zinc/77/03/49/854770349.db2.gz FOXBIDFRUWPRJT-SCRDCRAPSA-N 2 2 294.374 0.994 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001099929054 855035744 /nfs/dbraw/zinc/03/57/44/855035744.db2.gz RULLFIVAWZLKBY-OLZOCXBDSA-N 2 2 294.399 0.313 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001099929054 855035749 /nfs/dbraw/zinc/03/57/49/855035749.db2.gz RULLFIVAWZLKBY-OLZOCXBDSA-N 2 2 294.399 0.313 20 0 CCADLP CC(C)C[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099939550 855038154 /nfs/dbraw/zinc/03/81/54/855038154.db2.gz HQSRHOCEMOBQQE-KGLIPLIRSA-N 2 2 294.399 0.481 20 0 CCADLP CC(C)C[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099939550 855038161 /nfs/dbraw/zinc/03/81/61/855038161.db2.gz HQSRHOCEMOBQQE-KGLIPLIRSA-N 2 2 294.399 0.481 20 0 CCADLP COC[C@@H](C)[NH2+]C1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001100710253 855213119 /nfs/dbraw/zinc/21/31/19/855213119.db2.gz JSYJWEVNYXFZKY-VOMCLLRMSA-N 2 2 280.372 0.472 20 0 CCADLP CCC[NH2+]C1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001100710588 855213335 /nfs/dbraw/zinc/21/33/35/855213335.db2.gz YJZMYSJWJDLEDF-UHFFFAOYSA-N 2 2 250.346 0.847 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](C2CC[NH+](C)CC2)CCCO1 ZINC001256210411 855225512 /nfs/dbraw/zinc/22/55/12/855225512.db2.gz IANGGXKDHWOFKE-GFCCVEGCSA-N 2 2 256.346 0.345 20 0 CCADLP COC(=O)[C@H]1C[N@H+](C2CC[NH+](C)CC2)CCCO1 ZINC001256210411 855225515 /nfs/dbraw/zinc/22/55/15/855225515.db2.gz IANGGXKDHWOFKE-GFCCVEGCSA-N 2 2 256.346 0.345 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1CC([NH2+]Cc2cccnc2)C1 ZINC001101070359 855259746 /nfs/dbraw/zinc/25/97/46/855259746.db2.gz QIFXNINFJAQPQM-UHFFFAOYSA-N 2 2 299.378 0.963 20 0 CCADLP Cc1[nH+]cc(CNC[C@H]2C[N@@H+]3CCC[C@H]3CO2)n1C ZINC000689748072 855287718 /nfs/dbraw/zinc/28/77/18/855287718.db2.gz ZDLITSYVLMAUOZ-JSGCOSHPSA-N 2 2 264.373 0.681 20 0 CCADLP Cc1[nH+]cc(CNC[C@H]2C[N@H+]3CCC[C@H]3CO2)n1C ZINC000689748072 855287722 /nfs/dbraw/zinc/28/77/22/855287722.db2.gz ZDLITSYVLMAUOZ-JSGCOSHPSA-N 2 2 264.373 0.681 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001116130891 855721921 /nfs/dbraw/zinc/72/19/21/855721921.db2.gz ZZXWDMGHETYYJS-GFCCVEGCSA-N 2 2 268.361 0.529 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)[C@@H](C)n1cc[nH+]c1 ZINC001116130891 855721926 /nfs/dbraw/zinc/72/19/26/855721926.db2.gz ZZXWDMGHETYYJS-GFCCVEGCSA-N 2 2 268.361 0.529 20 0 CCADLP O=S1(=O)CCC[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC001117634084 856031712 /nfs/dbraw/zinc/03/17/12/856031712.db2.gz YNQFQRDPJNXBSF-ZJUUUORDSA-N 2 2 269.370 0.434 20 0 CCADLP [NH3+]CCCOC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001119237605 856592626 /nfs/dbraw/zinc/59/26/26/856592626.db2.gz IPRKCVPMBPNXGT-CHWSQXEVSA-N 2 2 292.383 0.870 20 0 CCADLP [NH3+]CCCOC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001119237605 856592635 /nfs/dbraw/zinc/59/26/35/856592635.db2.gz IPRKCVPMBPNXGT-CHWSQXEVSA-N 2 2 292.383 0.870 20 0 CCADLP CC(C)([NH3+])CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001119372322 856658900 /nfs/dbraw/zinc/65/89/00/856658900.db2.gz FCGDKXGNNOAFQP-SNVBAGLBSA-N 2 2 250.346 0.689 20 0 CCADLP CCO[C@@H](CNC(=O)[C@H](C)n1cc[nH+]c1)C[NH+](C)C ZINC001119902361 856915157 /nfs/dbraw/zinc/91/51/57/856915157.db2.gz QAYXBVULAPYTKG-RYUDHWBXSA-N 2 2 268.361 0.527 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[N@@H+]1CCO ZINC001393788672 912758856 /nfs/dbraw/zinc/75/88/56/912758856.db2.gz UUFUOWHYMDSJGZ-CHWSQXEVSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[N@H+]1CCO ZINC001393788672 912758868 /nfs/dbraw/zinc/75/88/68/912758868.db2.gz UUFUOWHYMDSJGZ-CHWSQXEVSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@H]([NH2+]CCF)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001325450795 913412911 /nfs/dbraw/zinc/41/29/11/913412911.db2.gz RRWYUWMMMSPOMI-WDEREUQCSA-N 2 2 268.336 0.748 20 0 CCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)CCc1[nH+]ccn1C ZINC001347042370 891533587 /nfs/dbraw/zinc/53/35/87/891533587.db2.gz BEUZRNMHEZIYDJ-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)CCc1[nH+]ccn1C ZINC001347042370 891533596 /nfs/dbraw/zinc/53/35/96/891533596.db2.gz BEUZRNMHEZIYDJ-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP CC[N@H+](C)CCC(=O)NCC[NH+](C)Cc1cnc(C)cn1 ZINC001480932921 891872413 /nfs/dbraw/zinc/87/24/13/891872413.db2.gz UVOWKRNRAQQVDN-UHFFFAOYSA-N 2 2 293.415 0.675 20 0 CCADLP CC[N@@H+](C)CCC(=O)NCC[NH+](C)Cc1cnc(C)cn1 ZINC001480932921 891872424 /nfs/dbraw/zinc/87/24/24/891872424.db2.gz UVOWKRNRAQQVDN-UHFFFAOYSA-N 2 2 293.415 0.675 20 0 CCADLP CC[NH+](C)CCC(=O)NCC[N@H+](C)Cc1cnc(C)cn1 ZINC001480932921 891872435 /nfs/dbraw/zinc/87/24/35/891872435.db2.gz UVOWKRNRAQQVDN-UHFFFAOYSA-N 2 2 293.415 0.675 20 0 CCADLP CC[NH+](C)CCC(=O)NCC[N@@H+](C)Cc1cnc(C)cn1 ZINC001480932921 891872448 /nfs/dbraw/zinc/87/24/48/891872448.db2.gz UVOWKRNRAQQVDN-UHFFFAOYSA-N 2 2 293.415 0.675 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](C)C/C=C\Cl)C1 ZINC001480950795 891933913 /nfs/dbraw/zinc/93/39/13/891933913.db2.gz WDVHJAGJJRJTSF-QMAVJUDZSA-N 2 2 289.807 0.508 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+](C)C/C=C\Cl)C1 ZINC001480950795 891933922 /nfs/dbraw/zinc/93/39/22/891933922.db2.gz WDVHJAGJJRJTSF-QMAVJUDZSA-N 2 2 289.807 0.508 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+](C)C/C=C\Cl)C1 ZINC001480950795 891933932 /nfs/dbraw/zinc/93/39/32/891933932.db2.gz WDVHJAGJJRJTSF-QMAVJUDZSA-N 2 2 289.807 0.508 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+](C)C/C=C\Cl)C1 ZINC001480950795 891933940 /nfs/dbraw/zinc/93/39/40/891933940.db2.gz WDVHJAGJJRJTSF-QMAVJUDZSA-N 2 2 289.807 0.508 20 0 CCADLP C[C@@H](O)CCC[NH+]1CC(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001481584079 892866181 /nfs/dbraw/zinc/86/61/81/892866181.db2.gz KUXCIWFRXMOWKF-CYBMUJFWSA-N 2 2 299.459 0.926 20 0 CCADLP C[C@@H](O)CCC[NH+]1CC(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001481584079 892866196 /nfs/dbraw/zinc/86/61/96/892866196.db2.gz KUXCIWFRXMOWKF-CYBMUJFWSA-N 2 2 299.459 0.926 20 0 CCADLP CC[C@H](C[NH+]1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1)OC ZINC001481652679 892969039 /nfs/dbraw/zinc/96/90/39/892969039.db2.gz SFJFFQANRJIBNW-GFCCVEGCSA-N 2 2 280.372 0.425 20 0 CCADLP CCOCC[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001481741938 893108468 /nfs/dbraw/zinc/10/84/68/893108468.db2.gz AHLHCRRRVXUVCN-ZDUSSCGKSA-N 2 2 280.372 0.521 20 0 CCADLP COCC[NH2+]C[C@@](C)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001481950795 893287206 /nfs/dbraw/zinc/28/72/06/893287206.db2.gz HKSIQKREUMCVJJ-CQSZACIVSA-N 2 2 280.372 0.404 20 0 CCADLP COCC[N@H+](C)C[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001498323141 893325526 /nfs/dbraw/zinc/32/55/26/893325526.db2.gz AAWFTACRKBLVPA-NSHDSACASA-N 2 2 298.387 0.433 20 0 CCADLP COCC[N@@H+](C)C[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001498323141 893325546 /nfs/dbraw/zinc/32/55/46/893325546.db2.gz AAWFTACRKBLVPA-NSHDSACASA-N 2 2 298.387 0.433 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC001362079227 893505343 /nfs/dbraw/zinc/50/53/43/893505343.db2.gz MXERTMSFBMLUTE-QWHCGFSZSA-N 2 2 297.399 0.176 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC001362079227 893505363 /nfs/dbraw/zinc/50/53/63/893505363.db2.gz MXERTMSFBMLUTE-QWHCGFSZSA-N 2 2 297.399 0.176 20 0 CCADLP CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001284446573 893563453 /nfs/dbraw/zinc/56/34/53/893563453.db2.gz KVDNOKSIVCDTLS-WCQYABFASA-N 2 2 282.388 0.407 20 0 CCADLP CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001284446573 893563473 /nfs/dbraw/zinc/56/34/73/893563473.db2.gz KVDNOKSIVCDTLS-WCQYABFASA-N 2 2 282.388 0.407 20 0 CCADLP C[C@H](C[NH2+]CCCO)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001482296473 893797007 /nfs/dbraw/zinc/79/70/07/893797007.db2.gz JZLKGRXPYUAWOK-IJLUTSLNSA-N 2 2 280.372 0.332 20 0 CCADLP C[C@H](C[NH2+]CCCO)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001482296473 893797018 /nfs/dbraw/zinc/79/70/18/893797018.db2.gz JZLKGRXPYUAWOK-IJLUTSLNSA-N 2 2 280.372 0.332 20 0 CCADLP CC[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001482344738 893894285 /nfs/dbraw/zinc/89/42/85/893894285.db2.gz VJEQLODGCRGIFZ-LBPRGKRZSA-N 2 2 271.405 0.554 20 0 CCADLP CN(CC[N@H+](C)Cc1cccnc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001482631375 894433176 /nfs/dbraw/zinc/43/31/76/894433176.db2.gz UHNIPWSSWKSBQI-UHFFFAOYSA-N 2 2 287.367 0.938 20 0 CCADLP CN(CC[N@@H+](C)Cc1cccnc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001482631375 894433185 /nfs/dbraw/zinc/43/31/85/894433185.db2.gz UHNIPWSSWKSBQI-UHFFFAOYSA-N 2 2 287.367 0.938 20 0 CCADLP C[C@H](CC(=O)N(C)CC[N@@H+](C)C[C@H](C)O)n1cc[nH+]c1 ZINC001482632636 894433484 /nfs/dbraw/zinc/43/34/84/894433484.db2.gz RAFNRSJDCJCQGZ-OLZOCXBDSA-N 2 2 282.388 0.605 20 0 CCADLP C[C@H](CC(=O)N(C)CC[N@H+](C)C[C@H](C)O)n1cc[nH+]c1 ZINC001482632636 894433491 /nfs/dbraw/zinc/43/34/91/894433491.db2.gz RAFNRSJDCJCQGZ-OLZOCXBDSA-N 2 2 282.388 0.605 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)CC[NH2+]C[C@@H](C)O)c[nH+]1 ZINC001482842438 894645386 /nfs/dbraw/zinc/64/53/86/894645386.db2.gz CNIYZISAVLTBCT-WCQYABFASA-N 2 2 296.415 0.792 20 0 CCADLP CCC[NH+]1CC(CCO)(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001409744084 895359380 /nfs/dbraw/zinc/35/93/80/895359380.db2.gz KFRZLCOGUICGKD-UHFFFAOYSA-N 2 2 299.459 0.927 20 0 CCADLP CCC[NH+]1CC(CCO)(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001409744084 895359395 /nfs/dbraw/zinc/35/93/95/895359395.db2.gz KFRZLCOGUICGKD-UHFFFAOYSA-N 2 2 299.459 0.927 20 0 CCADLP CCn1cc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cn1 ZINC001235992024 896011926 /nfs/dbraw/zinc/01/19/26/896011926.db2.gz JGILJSIBRFGCKJ-FUNVUKJBSA-N 2 2 250.346 0.309 20 0 CCADLP CCn1cc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cn1 ZINC001235992024 896011940 /nfs/dbraw/zinc/01/19/40/896011940.db2.gz JGILJSIBRFGCKJ-FUNVUKJBSA-N 2 2 250.346 0.309 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001483903686 896107345 /nfs/dbraw/zinc/10/73/45/896107345.db2.gz AEYLJQSRQQDKRL-OLZOCXBDSA-N 2 2 294.399 0.958 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001483903686 896107352 /nfs/dbraw/zinc/10/73/52/896107352.db2.gz AEYLJQSRQQDKRL-OLZOCXBDSA-N 2 2 294.399 0.958 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@]1(O)CC[N@H+](CC2CC2)C1 ZINC001484248293 896283238 /nfs/dbraw/zinc/28/32/38/896283238.db2.gz LLMYXCHQHTZGQN-OAHLLOKOSA-N 2 2 292.383 0.224 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001484248293 896283253 /nfs/dbraw/zinc/28/32/53/896283253.db2.gz LLMYXCHQHTZGQN-OAHLLOKOSA-N 2 2 292.383 0.224 20 0 CCADLP CC(C)=CC[NH+]1CC(O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001484305847 896333103 /nfs/dbraw/zinc/33/31/03/896333103.db2.gz OYDYPXDQJPRDJP-UHFFFAOYSA-N 2 2 293.411 0.211 20 0 CCADLP [NH3+][C@@H](CC(=O)N1[C@@H]2CCC[C@H]1CC([NH3+])C2)C(F)F ZINC001521506688 896404283 /nfs/dbraw/zinc/40/42/83/896404283.db2.gz AFNMVJVZYOVYNA-UPBARMNASA-N 2 2 261.316 0.840 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@](CO)([NH2+]CCCF)C1 ZINC001484854102 896634142 /nfs/dbraw/zinc/63/41/42/896634142.db2.gz CHPSALOJWPZBBW-AWEZNQCLSA-N 2 2 298.362 0.186 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC1(CO)CC[NH+](CC2CC2)CC1 ZINC001485025966 896722435 /nfs/dbraw/zinc/72/24/35/896722435.db2.gz RTCUESJZLUNOKN-UHFFFAOYSA-N 2 2 292.383 0.305 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@H](C)n2cc[nH+]c2)CC[NH2+]1 ZINC001326688902 914096290 /nfs/dbraw/zinc/09/62/90/914096290.db2.gz ZQALOTMVHMCCDJ-NWDGAFQWSA-N 2 2 250.346 0.901 20 0 CCADLP C[C@@H]([NH2+]Cc1ccnn1C)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001485204790 896860563 /nfs/dbraw/zinc/86/05/63/896860563.db2.gz LMNDITIZCOVVGW-MNOVXSKESA-N 2 2 290.371 0.369 20 0 CCADLP CC(C)OCC[NH2+][C@@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001485233236 896880955 /nfs/dbraw/zinc/88/09/55/896880955.db2.gz CQQREENVWTWHLD-STQMWFEESA-N 2 2 282.388 0.791 20 0 CCADLP CO[C@@H](C)C[N@H+](C)[C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001485314509 896941547 /nfs/dbraw/zinc/94/15/47/896941547.db2.gz AWOLFQFYAFCJHL-RYUDHWBXSA-N 2 2 282.388 0.814 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)[C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001485314509 896941556 /nfs/dbraw/zinc/94/15/56/896941556.db2.gz AWOLFQFYAFCJHL-RYUDHWBXSA-N 2 2 282.388 0.814 20 0 CCADLP CO[C@@H](C)C[N@H+](C)[C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001485314509 896941561 /nfs/dbraw/zinc/94/15/61/896941561.db2.gz AWOLFQFYAFCJHL-RYUDHWBXSA-N 2 2 282.388 0.814 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)[C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001485314509 896941569 /nfs/dbraw/zinc/94/15/69/896941569.db2.gz AWOLFQFYAFCJHL-RYUDHWBXSA-N 2 2 282.388 0.814 20 0 CCADLP CCC[NH+]1CC(CCO)(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001485418256 897044386 /nfs/dbraw/zinc/04/43/86/897044386.db2.gz ADNLEEHIDCWDKE-ZDUSSCGKSA-N 2 2 283.416 0.291 20 0 CCADLP CCC[NH+]1CC(CCO)(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001485418256 897044395 /nfs/dbraw/zinc/04/43/95/897044395.db2.gz ADNLEEHIDCWDKE-ZDUSSCGKSA-N 2 2 283.416 0.291 20 0 CCADLP CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001032443825 897578598 /nfs/dbraw/zinc/57/85/98/897578598.db2.gz DZUPPNAMTGKWMN-MELADBBJSA-N 2 2 291.399 0.118 20 0 CCADLP CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001032443825 897578605 /nfs/dbraw/zinc/57/86/05/897578605.db2.gz DZUPPNAMTGKWMN-MELADBBJSA-N 2 2 291.399 0.118 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO ZINC001032534853 897712422 /nfs/dbraw/zinc/71/24/22/897712422.db2.gz JSNHIWSKUHVTCM-STQMWFEESA-N 2 2 292.383 0.020 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO ZINC001032534853 897712436 /nfs/dbraw/zinc/71/24/36/897712436.db2.gz JSNHIWSKUHVTCM-STQMWFEESA-N 2 2 292.383 0.020 20 0 CCADLP COC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC001032652451 897906460 /nfs/dbraw/zinc/90/64/60/897906460.db2.gz SCGVEWBUBXAWHC-WXHSDQCUSA-N 2 2 278.356 0.272 20 0 CCADLP COC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC001032652451 897906471 /nfs/dbraw/zinc/90/64/71/897906471.db2.gz SCGVEWBUBXAWHC-WXHSDQCUSA-N 2 2 278.356 0.272 20 0 CCADLP CC[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078006661 898174376 /nfs/dbraw/zinc/17/43/76/898174376.db2.gz AWFYYEQVEGNCMH-MRVWCRGKSA-N 2 2 294.399 0.170 20 0 CCADLP CC[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078006661 898174387 /nfs/dbraw/zinc/17/43/87/898174387.db2.gz AWFYYEQVEGNCMH-MRVWCRGKSA-N 2 2 294.399 0.170 20 0 CCADLP CC(C)[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CCCO1 ZINC001078391867 898366901 /nfs/dbraw/zinc/36/69/01/898366901.db2.gz SVHSMUQBRYMTNN-CYBMUJFWSA-N 2 2 294.399 0.958 20 0 CCADLP CC(C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCCO1 ZINC001078499357 898397881 /nfs/dbraw/zinc/39/78/81/898397881.db2.gz VOIFEOQXYJIMEI-CQSZACIVSA-N 2 2 294.399 0.578 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCO[C@@H](C[NH2+]C(C)C)C1 ZINC001078503137 898400181 /nfs/dbraw/zinc/40/01/81/898400181.db2.gz XWAWSNJKLGSVKX-ZDUSSCGKSA-N 2 2 294.399 0.876 20 0 CCADLP [NH3+]C1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001326906919 914263033 /nfs/dbraw/zinc/26/30/33/914263033.db2.gz OTMZYMYUXUKNNK-UHFFFAOYSA-N 2 2 262.357 0.712 20 0 CCADLP CCOCC[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001486477530 898896073 /nfs/dbraw/zinc/89/60/73/898896073.db2.gz RTEKRLNXRWMZQY-UHFFFAOYSA-N 2 2 280.372 0.568 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[N@H+](CCO)CC1(C)C ZINC001410025852 899182320 /nfs/dbraw/zinc/18/23/20/899182320.db2.gz GGZFKYRFUQQBBK-LBPRGKRZSA-N 2 2 294.399 0.172 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[N@@H+](CCO)CC1(C)C ZINC001410025852 899182324 /nfs/dbraw/zinc/18/23/24/899182324.db2.gz GGZFKYRFUQQBBK-LBPRGKRZSA-N 2 2 294.399 0.172 20 0 CCADLP CC(C)C[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001411183654 899718638 /nfs/dbraw/zinc/71/86/38/899718638.db2.gz FYBBKLMDEALNHU-ZDUSSCGKSA-N 2 2 282.388 0.290 20 0 CCADLP CC(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001411183654 899718649 /nfs/dbraw/zinc/71/86/49/899718649.db2.gz FYBBKLMDEALNHU-ZDUSSCGKSA-N 2 2 282.388 0.290 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001411184840 899719682 /nfs/dbraw/zinc/71/96/82/899719682.db2.gz YRDGRTQRRZAMLC-GFCCVEGCSA-N 2 2 296.415 0.847 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001411184840 899719687 /nfs/dbraw/zinc/71/96/87/899719687.db2.gz YRDGRTQRRZAMLC-GFCCVEGCSA-N 2 2 296.415 0.847 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CC[C@H]1CCOC1 ZINC001134397690 899833006 /nfs/dbraw/zinc/83/30/06/899833006.db2.gz SVCALANRHJFQGY-NSHDSACASA-N 2 2 266.345 0.085 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]C[C@@H]1CCCCO1 ZINC001134397912 899834028 /nfs/dbraw/zinc/83/40/28/899834028.db2.gz YOJMERRLRBITEE-LBPRGKRZSA-N 2 2 266.345 0.227 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CCCCCF ZINC001134397681 899834176 /nfs/dbraw/zinc/83/41/76/899834176.db2.gz SFDALTHBJZTTCH-UHFFFAOYSA-N 2 2 256.325 0.798 20 0 CCADLP CCCCOCC[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134401371 899834563 /nfs/dbraw/zinc/83/45/63/899834563.db2.gz ZGACPUKVOXCJBR-UHFFFAOYSA-N 2 2 268.361 0.475 20 0 CCADLP CCOCC[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001134521686 899836585 /nfs/dbraw/zinc/83/65/85/899836585.db2.gz NGVXLLWAJUJYHG-GFCCVEGCSA-N 2 2 268.361 0.577 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC001325903809 900045126 /nfs/dbraw/zinc/04/51/26/900045126.db2.gz QXHRBMKNYGWZAA-VHSXEESVSA-N 2 2 257.359 0.221 20 0 CCADLP CC[C@@H](C(=O)NCCC[N@H+](C)Cc1nccn1C)[NH+](C)C ZINC001490251185 900581558 /nfs/dbraw/zinc/58/15/58/900581558.db2.gz ZSYGTGHLGMJSET-ZDUSSCGKSA-N 2 2 295.431 0.698 20 0 CCADLP CC[C@@H](C(=O)NCCC[N@@H+](C)Cc1nccn1C)[NH+](C)C ZINC001490251185 900581566 /nfs/dbraw/zinc/58/15/66/900581566.db2.gz ZSYGTGHLGMJSET-ZDUSSCGKSA-N 2 2 295.431 0.698 20 0 CCADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001412227994 901570739 /nfs/dbraw/zinc/57/07/39/901570739.db2.gz TWZULACIAVYPSS-CYBMUJFWSA-N 2 2 280.372 0.188 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001412227994 901570742 /nfs/dbraw/zinc/57/07/42/901570742.db2.gz TWZULACIAVYPSS-CYBMUJFWSA-N 2 2 280.372 0.188 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CCO)n1cc[nH+]c1 ZINC001412992083 902451504 /nfs/dbraw/zinc/45/15/04/902451504.db2.gz SLIFLYFLDDQQGW-OLZOCXBDSA-N 2 2 280.372 0.407 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1CCO)n1cc[nH+]c1 ZINC001412992083 902451509 /nfs/dbraw/zinc/45/15/09/902451509.db2.gz SLIFLYFLDDQQGW-OLZOCXBDSA-N 2 2 280.372 0.407 20 0 CCADLP CC(C)OCC[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001490947263 903264995 /nfs/dbraw/zinc/26/49/95/903264995.db2.gz WJRMYPOBYLDXKD-JOCQHMNTSA-N 2 2 294.399 0.624 20 0 CCADLP CC[NH2+][C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001490960719 903266608 /nfs/dbraw/zinc/26/66/08/903266608.db2.gz ZSKBZCTXOVXZMI-HAQNSBGRSA-N 2 2 250.346 0.920 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+]Cc1ccon1 ZINC001491528158 903643445 /nfs/dbraw/zinc/64/34/45/903643445.db2.gz KIEOGPDDNMXDIS-SNVBAGLBSA-N 2 2 277.328 0.474 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccon1 ZINC001491546759 903671699 /nfs/dbraw/zinc/67/16/99/903671699.db2.gz GSFRNDLDQHLSFO-ZYHUDNBSSA-N 2 2 266.345 0.363 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccon1 ZINC001491546759 903671708 /nfs/dbraw/zinc/67/17/08/903671708.db2.gz GSFRNDLDQHLSFO-ZYHUDNBSSA-N 2 2 266.345 0.363 20 0 CCADLP COCCC[N@H+](C)[C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001329601579 903813648 /nfs/dbraw/zinc/81/36/48/903813648.db2.gz UGXZPDWQDKFJEO-NSHDSACASA-N 2 2 282.388 0.734 20 0 CCADLP COCCC[N@@H+](C)[C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001329601579 903813654 /nfs/dbraw/zinc/81/36/54/903813654.db2.gz UGXZPDWQDKFJEO-NSHDSACASA-N 2 2 282.388 0.734 20 0 CCADLP OC1CC[NH+](CCC[NH2+]Cc2cnc3n2CCOC3)CC1 ZINC001332298775 904093154 /nfs/dbraw/zinc/09/31/54/904093154.db2.gz AWZCEQFOUOZRJJ-UHFFFAOYSA-N 2 2 294.399 0.350 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1CCF ZINC001316606091 904155914 /nfs/dbraw/zinc/15/59/14/904155914.db2.gz MMMTVCUUYAZCCL-GFCCVEGCSA-N 2 2 259.369 0.830 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1CCF ZINC001316606091 904155927 /nfs/dbraw/zinc/15/59/27/904155927.db2.gz MMMTVCUUYAZCCL-GFCCVEGCSA-N 2 2 259.369 0.830 20 0 CCADLP CCC[NH+](C)CC(=O)N(C)C[C@H]1CC[N@@H+]1CCF ZINC001316606091 904155937 /nfs/dbraw/zinc/15/59/37/904155937.db2.gz MMMTVCUUYAZCCL-GFCCVEGCSA-N 2 2 259.369 0.830 20 0 CCADLP CCC[NH+](C)CC(=O)N(C)C[C@H]1CC[N@H+]1CCF ZINC001316606091 904155948 /nfs/dbraw/zinc/15/59/48/904155948.db2.gz MMMTVCUUYAZCCL-GFCCVEGCSA-N 2 2 259.369 0.830 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)[C@H](C)C(=O)NC ZINC001377278468 904743890 /nfs/dbraw/zinc/74/38/90/904743890.db2.gz WLZZDBIIVGIXOE-CHWSQXEVSA-N 2 2 298.431 0.043 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)[C@H](C)C(=O)NC ZINC001377278468 904743896 /nfs/dbraw/zinc/74/38/96/904743896.db2.gz WLZZDBIIVGIXOE-CHWSQXEVSA-N 2 2 298.431 0.043 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+](C)[C@H](C)C(=O)NC ZINC001377278468 904743906 /nfs/dbraw/zinc/74/39/06/904743906.db2.gz WLZZDBIIVGIXOE-CHWSQXEVSA-N 2 2 298.431 0.043 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC ZINC001377278468 904743911 /nfs/dbraw/zinc/74/39/11/904743911.db2.gz WLZZDBIIVGIXOE-CHWSQXEVSA-N 2 2 298.431 0.043 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)[C@@H](C)C(=O)NC ZINC001377278481 904746214 /nfs/dbraw/zinc/74/62/14/904746214.db2.gz WLZZDBIIVGIXOE-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)[C@@H](C)C(=O)NC ZINC001377278481 904746222 /nfs/dbraw/zinc/74/62/22/904746222.db2.gz WLZZDBIIVGIXOE-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC ZINC001377278481 904746231 /nfs/dbraw/zinc/74/62/31/904746231.db2.gz WLZZDBIIVGIXOE-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC ZINC001377278481 904746239 /nfs/dbraw/zinc/74/62/39/904746239.db2.gz WLZZDBIIVGIXOE-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001377463095 904913981 /nfs/dbraw/zinc/91/39/81/904913981.db2.gz RGHSEWKVVPOMDV-OLZOCXBDSA-N 2 2 294.399 0.172 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001377463095 904913998 /nfs/dbraw/zinc/91/39/98/904913998.db2.gz RGHSEWKVVPOMDV-OLZOCXBDSA-N 2 2 294.399 0.172 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCCO)CN1C(=O)CCc1[nH+]ccn1C ZINC001283997964 905109933 /nfs/dbraw/zinc/10/99/33/905109933.db2.gz FKFMDMHSJILWKN-OLZOCXBDSA-N 2 2 294.399 0.314 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1nc(C)no1 ZINC001377885418 905214232 /nfs/dbraw/zinc/21/42/32/905214232.db2.gz RENPVIZMXDCMAO-QWRGUYRKSA-N 2 2 297.403 0.703 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1nc(C)no1 ZINC001377885418 905214250 /nfs/dbraw/zinc/21/42/50/905214250.db2.gz RENPVIZMXDCMAO-QWRGUYRKSA-N 2 2 297.403 0.703 20 0 CCADLP CC(C)CC[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001284475435 905310209 /nfs/dbraw/zinc/31/02/09/905310209.db2.gz BVYAOQBCOTUZAV-CYBMUJFWSA-N 2 2 282.388 0.338 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001378003069 905316268 /nfs/dbraw/zinc/31/62/68/905316268.db2.gz XXNDFFJTTHHXQX-STQMWFEESA-N 2 2 294.399 0.917 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCC[C@H](C)O)C1 ZINC001378078959 905407578 /nfs/dbraw/zinc/40/75/78/905407578.db2.gz PVCJETQHTNXAPS-AAEUAGOBSA-N 2 2 294.399 0.612 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCC[C@H](C)O)C1 ZINC001378078959 905407579 /nfs/dbraw/zinc/40/75/79/905407579.db2.gz PVCJETQHTNXAPS-AAEUAGOBSA-N 2 2 294.399 0.612 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[N@@H+](C)CCC[C@H](C)O ZINC001378195496 905487709 /nfs/dbraw/zinc/48/77/09/905487709.db2.gz YFKDUAKBHNMQQU-OLZOCXBDSA-N 2 2 296.415 0.560 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[N@H+](C)CCC[C@H](C)O ZINC001378195496 905487723 /nfs/dbraw/zinc/48/77/23/905487723.db2.gz YFKDUAKBHNMQQU-OLZOCXBDSA-N 2 2 296.415 0.560 20 0 CCADLP CC(C)[C@H](C(=O)N[C@@H](C)C1C[NH+](CCF)C1)[NH+](C)C ZINC001378578123 905692669 /nfs/dbraw/zinc/69/26/69/905692669.db2.gz BKAKGIHRWULOGD-WCQYABFASA-N 2 2 273.396 0.979 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)CN1C(=O)[C@@H]2CC[C@@H]2C1=O ZINC001337121770 921192305 /nfs/dbraw/zinc/19/23/05/921192305.db2.gz ITWMRUAHHADHIZ-TXEJJXNPSA-N 2 2 276.340 0.558 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)CN1C(=O)[C@@H]2CC[C@@H]2C1=O ZINC001337121770 921192312 /nfs/dbraw/zinc/19/23/12/921192312.db2.gz ITWMRUAHHADHIZ-TXEJJXNPSA-N 2 2 276.340 0.558 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cnon1 ZINC001379329040 906143927 /nfs/dbraw/zinc/14/39/27/906143927.db2.gz SVINVNWIUHYGCM-SNVBAGLBSA-N 2 2 292.343 0.211 20 0 CCADLP C[C@H](C[NH2+]Cc1ccns1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001379429643 906235545 /nfs/dbraw/zinc/23/55/45/906235545.db2.gz VREPEODBARHFNX-SECBINFHSA-N 2 2 279.369 0.703 20 0 CCADLP CC(C)[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001379797884 906485853 /nfs/dbraw/zinc/48/58/53/906485853.db2.gz CFMXZEJIHAWRAQ-OLZOCXBDSA-N 2 2 294.399 0.263 20 0 CCADLP CC[C@H](C(=O)NC[C@@H]1COCC[N@@H+]1CCC1CC1)[NH+](C)C ZINC001380822559 906948923 /nfs/dbraw/zinc/94/89/23/906948923.db2.gz LANZPGVJADIAFR-HUUCEWRRSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@H](C(=O)NC[C@@H]1COCC[N@H+]1CCC1CC1)[NH+](C)C ZINC001380822559 906948943 /nfs/dbraw/zinc/94/89/43/906948943.db2.gz LANZPGVJADIAFR-HUUCEWRRSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC[C@H]1COCC[NH+]1CC1CCC1 ZINC001380830749 906954208 /nfs/dbraw/zinc/95/42/08/906954208.db2.gz IXPGCMOYQVBRGV-HNNXBMFYSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC[C@H]1COCC[NH+]1CC1CCC1 ZINC001380830749 906954230 /nfs/dbraw/zinc/95/42/30/906954230.db2.gz IXPGCMOYQVBRGV-HNNXBMFYSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[NH+](C)CC(=O)NC[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001380830749 906954249 /nfs/dbraw/zinc/95/42/49/906954249.db2.gz IXPGCMOYQVBRGV-HNNXBMFYSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[NH+](C)CC(=O)NC[C@H]1COCC[N@H+]1CC1CCC1 ZINC001380830749 906954271 /nfs/dbraw/zinc/95/42/71/906954271.db2.gz IXPGCMOYQVBRGV-HNNXBMFYSA-N 2 2 297.443 0.944 20 0 CCADLP Cc1nnc(C[N@@H+](C)CCCN(C)C(=O)CC[NH+](C)C)[nH]1 ZINC001380971320 907020978 /nfs/dbraw/zinc/02/09/78/907020978.db2.gz OKKAPMODKIWKKN-UHFFFAOYSA-N 2 2 296.419 0.345 20 0 CCADLP Cc1nnc(C[N@H+](C)CCCN(C)C(=O)CC[NH+](C)C)[nH]1 ZINC001380971320 907020997 /nfs/dbraw/zinc/02/09/97/907020997.db2.gz OKKAPMODKIWKKN-UHFFFAOYSA-N 2 2 296.419 0.345 20 0 CCADLP CC[NH+]1CC2(C1)CC[C@H](CNC(=O)C[NH+]1CCCC1)O2 ZINC001381000802 907037278 /nfs/dbraw/zinc/03/72/78/907037278.db2.gz WBQDOSGVWMAVEN-CYBMUJFWSA-N 2 2 281.400 0.452 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC1(CO)CC[NH+](CCF)CC1 ZINC001381265208 907130936 /nfs/dbraw/zinc/13/09/36/907130936.db2.gz BRJKTCXTJPFASG-UHFFFAOYSA-N 2 2 298.362 0.104 20 0 CCADLP C[C@H](Nc1cc[nH+]c(N)n1)[C@H](C)[NH+]1CCOCC1 ZINC001337851377 921298858 /nfs/dbraw/zinc/29/88/58/921298858.db2.gz NORTXEDHRGJYIQ-UWVGGRQHSA-N 2 2 251.334 0.580 20 0 CCADLP C[C@H](O)CCC[N@H+](C)[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001381594600 907318726 /nfs/dbraw/zinc/31/87/26/907318726.db2.gz DZNXLGWWECPXNG-RYUDHWBXSA-N 2 2 282.388 0.550 20 0 CCADLP C[C@H](O)CCC[N@@H+](C)[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001381594600 907318729 /nfs/dbraw/zinc/31/87/29/907318729.db2.gz DZNXLGWWECPXNG-RYUDHWBXSA-N 2 2 282.388 0.550 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC(=O)NC ZINC001381645866 907355697 /nfs/dbraw/zinc/35/56/97/907355697.db2.gz RUZJLMZDTPWHOR-STQMWFEESA-N 2 2 298.431 0.043 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC(=O)NC ZINC001381645866 907355715 /nfs/dbraw/zinc/35/57/15/907355715.db2.gz RUZJLMZDTPWHOR-STQMWFEESA-N 2 2 298.431 0.043 20 0 CCADLP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CC(=O)NC ZINC001381645866 907355733 /nfs/dbraw/zinc/35/57/33/907355733.db2.gz RUZJLMZDTPWHOR-STQMWFEESA-N 2 2 298.431 0.043 20 0 CCADLP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC ZINC001381645866 907355748 /nfs/dbraw/zinc/35/57/48/907355748.db2.gz RUZJLMZDTPWHOR-STQMWFEESA-N 2 2 298.431 0.043 20 0 CCADLP COC[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001382083421 907541183 /nfs/dbraw/zinc/54/11/83/907541183.db2.gz CFKLNOIHAJMKJL-VXGBXAGGSA-N 2 2 282.388 0.814 20 0 CCADLP COC[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001382083421 907541190 /nfs/dbraw/zinc/54/11/90/907541190.db2.gz CFKLNOIHAJMKJL-VXGBXAGGSA-N 2 2 282.388 0.814 20 0 CCADLP CCOCC[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001491740770 907543398 /nfs/dbraw/zinc/54/33/98/907543398.db2.gz GSVYABDCJOTQLG-ZDUSSCGKSA-N 2 2 294.399 0.580 20 0 CCADLP C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1cnon1 ZINC001382118662 907555372 /nfs/dbraw/zinc/55/53/72/907555372.db2.gz IUSMOGWKRJKZBL-NEPJUHHUSA-N 2 2 295.387 0.348 20 0 CCADLP C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1cnon1 ZINC001382118662 907555390 /nfs/dbraw/zinc/55/53/90/907555390.db2.gz IUSMOGWKRJKZBL-NEPJUHHUSA-N 2 2 295.387 0.348 20 0 CCADLP C[C@H](O)CCC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001491839511 907597847 /nfs/dbraw/zinc/59/78/47/907597847.db2.gz XBKAWCOHRFAHRU-STQMWFEESA-N 2 2 294.399 0.551 20 0 CCADLP CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001492047466 907680234 /nfs/dbraw/zinc/68/02/34/907680234.db2.gz RECRALAULGRRHR-NEPJUHHUSA-N 2 2 264.373 0.950 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001492101715 907703116 /nfs/dbraw/zinc/70/31/16/907703116.db2.gz KCMPUHVOLRRHHU-WDEREUQCSA-N 2 2 268.361 0.472 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]([NH2+]CCF)C1 ZINC001317092235 908971803 /nfs/dbraw/zinc/97/18/03/908971803.db2.gz ZTDKBBMZFYQCLX-XYPYZODXSA-N 2 2 268.336 0.559 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[C@H]([NH2+]CCCO)C1 ZINC001317362639 909156430 /nfs/dbraw/zinc/15/64/30/909156430.db2.gz GLVJLYWRQJXHBZ-STQMWFEESA-N 2 2 294.399 0.660 20 0 CCADLP CC[C@@H](C[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1)OC ZINC001388665607 909539647 /nfs/dbraw/zinc/53/96/47/909539647.db2.gz MOGORHTXNIFWIF-KBPBESRZSA-N 2 2 294.399 0.841 20 0 CCADLP CC[C@@H](C[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1)OC ZINC001388665607 909539659 /nfs/dbraw/zinc/53/96/59/909539659.db2.gz MOGORHTXNIFWIF-KBPBESRZSA-N 2 2 294.399 0.841 20 0 CCADLP CC[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CCCO ZINC001318543793 909809992 /nfs/dbraw/zinc/80/99/92/909809992.db2.gz ZTDGPFSWLIWIEX-STQMWFEESA-N 2 2 294.399 0.312 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CCO ZINC001389322210 909823250 /nfs/dbraw/zinc/82/32/50/909823250.db2.gz KIWYZMOGAVOZSF-OCCSQVGLSA-N 2 2 294.399 0.612 20 0 CCADLP CC(C)(C)[NH2+]CC(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001417688502 921533718 /nfs/dbraw/zinc/53/37/18/921533718.db2.gz RIDCGZOSQFEDIG-GFCCVEGCSA-N 2 2 297.399 0.271 20 0 CCADLP COCCC[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001319134448 909998296 /nfs/dbraw/zinc/99/82/96/909998296.db2.gz MIDRDSSHLXWZCZ-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP C[C@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)C[NH2+]CCO ZINC001319190602 910024921 /nfs/dbraw/zinc/02/49/21/910024921.db2.gz WKNPVJIDAYKSBA-LBPRGKRZSA-N 2 2 294.399 0.096 20 0 CCADLP COCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001319485054 910174022 /nfs/dbraw/zinc/17/40/22/910174022.db2.gz FGPVNWUVUAWICI-CHWSQXEVSA-N 2 2 294.399 0.528 20 0 CCADLP C[C@@H](C(=O)N(C)CC[N@H+](C)C1CC1)n1cc[nH+]c1 ZINC001320368470 910635411 /nfs/dbraw/zinc/63/54/11/910635411.db2.gz WGKKKCBSFBUPGG-NSHDSACASA-N 2 2 250.346 0.997 20 0 CCADLP C[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC1)n1cc[nH+]c1 ZINC001320368470 910635416 /nfs/dbraw/zinc/63/54/16/910635416.db2.gz WGKKKCBSFBUPGG-NSHDSACASA-N 2 2 250.346 0.997 20 0 CCADLP CCOC1CC(C[N@H+](C)CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001390835932 910715387 /nfs/dbraw/zinc/71/53/87/910715387.db2.gz LWLXECWAWUVTLX-UHFFFAOYSA-N 2 2 294.399 0.815 20 0 CCADLP CCOC1CC(C[N@@H+](C)CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001390835932 910715392 /nfs/dbraw/zinc/71/53/92/910715392.db2.gz LWLXECWAWUVTLX-UHFFFAOYSA-N 2 2 294.399 0.815 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@@](C)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001391799131 911403304 /nfs/dbraw/zinc/40/33/04/911403304.db2.gz CBZJPQPJUVFDEY-SWLSCSKDSA-N 2 2 294.399 0.793 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1cncn1C ZINC001391967056 911489340 /nfs/dbraw/zinc/48/93/40/911489340.db2.gz OLHWKWPZHWNFCT-GFCCVEGCSA-N 2 2 290.371 0.159 20 0 CCADLP CCOCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001321895619 911557106 /nfs/dbraw/zinc/55/71/06/911557106.db2.gz HNIUDRGGRLEFFY-QWHCGFSZSA-N 2 2 294.399 0.576 20 0 CCADLP C[C@@H](C[NH2+]CC[C@@H]1CCCO1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001322003418 911617845 /nfs/dbraw/zinc/61/78/45/911617845.db2.gz VKFRXCOJENBYDR-AAEUAGOBSA-N 2 2 280.372 0.616 20 0 CCADLP C[C@@H]([NH2+]CCO)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001392182076 911619693 /nfs/dbraw/zinc/61/96/93/911619693.db2.gz AEJPAEJIUKLTGA-VXGBXAGGSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@@H](C[NH2+]CC1CCC1)NC(=O)Cn1cc[nH+]c1 ZINC001322094036 911651218 /nfs/dbraw/zinc/65/12/18/911651218.db2.gz QOLBXTCAIVYTRC-NSHDSACASA-N 2 2 250.346 0.778 20 0 CCADLP COCC[N@H+](C)CCN(C)C(=O)CCc1c[nH+]cn1C ZINC001392320775 911726425 /nfs/dbraw/zinc/72/64/25/911726425.db2.gz BMUUOCOMLVHFHW-UHFFFAOYSA-N 2 2 282.388 0.389 20 0 CCADLP COCC[N@@H+](C)CCN(C)C(=O)CCc1c[nH+]cn1C ZINC001392320775 911726439 /nfs/dbraw/zinc/72/64/39/911726439.db2.gz BMUUOCOMLVHFHW-UHFFFAOYSA-N 2 2 282.388 0.389 20 0 CCADLP C[C@H](C[NH2+]Cc1ccns1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001392467588 911835723 /nfs/dbraw/zinc/83/57/23/911835723.db2.gz UOUNHHHGCWCYSV-ZYHUDNBSSA-N 2 2 298.412 0.068 20 0 CCADLP C[C@H](C[NH2+]Cc1ccns1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001392467588 911835733 /nfs/dbraw/zinc/83/57/33/911835733.db2.gz UOUNHHHGCWCYSV-ZYHUDNBSSA-N 2 2 298.412 0.068 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC001322677664 911911685 /nfs/dbraw/zinc/91/16/85/911911685.db2.gz KPIKRKYQAOTPRC-NEPJUHHUSA-N 2 2 250.346 0.997 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC001322677664 911911701 /nfs/dbraw/zinc/91/17/01/911911701.db2.gz KPIKRKYQAOTPRC-NEPJUHHUSA-N 2 2 250.346 0.997 20 0 CCADLP COCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001327961192 914890449 /nfs/dbraw/zinc/89/04/49/914890449.db2.gz YCRSRCBOHJDIOU-QWHCGFSZSA-N 2 2 280.372 0.356 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001399026609 915003585 /nfs/dbraw/zinc/00/35/85/915003585.db2.gz NSTRTDWJFFEVQB-NWDGAFQWSA-N 2 2 282.388 0.482 20 0 CCADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]C[C@H]1CCCOC1 ZINC001399040370 915012646 /nfs/dbraw/zinc/01/26/46/915012646.db2.gz NUWAWIBZPMRAOF-UONOGXRCSA-N 2 2 294.399 0.794 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001399252235 915096125 /nfs/dbraw/zinc/09/61/25/915096125.db2.gz SMYYZAOVHDGTAP-CHWSQXEVSA-N 2 2 294.399 0.436 20 0 CCADLP CC[NH2+][C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001417987345 921750304 /nfs/dbraw/zinc/75/03/04/921750304.db2.gz YQKXMAXEMKZONE-GXTWGEPZSA-N 2 2 276.384 0.950 20 0 CCADLP Cc1oncc1C[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001399442821 915178500 /nfs/dbraw/zinc/17/85/00/915178500.db2.gz ZIWOHXYVXVTZBQ-CYBMUJFWSA-N 2 2 280.372 0.625 20 0 CCADLP Cc1oncc1C[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001399442821 915178510 /nfs/dbraw/zinc/17/85/10/915178510.db2.gz ZIWOHXYVXVTZBQ-CYBMUJFWSA-N 2 2 280.372 0.625 20 0 CCADLP Cc1oncc1C[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001399442821 915178518 /nfs/dbraw/zinc/17/85/18/915178518.db2.gz ZIWOHXYVXVTZBQ-CYBMUJFWSA-N 2 2 280.372 0.625 20 0 CCADLP Cc1oncc1C[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001399442821 915178530 /nfs/dbraw/zinc/17/85/30/915178530.db2.gz ZIWOHXYVXVTZBQ-CYBMUJFWSA-N 2 2 280.372 0.625 20 0 CCADLP Cc1cc(C[N@H+](C)CCNC(=O)[C@H]2CC[NH+](C)C2)sn1 ZINC001399650452 915287615 /nfs/dbraw/zinc/28/76/15/915287615.db2.gz CSVPLYLZSNMVFV-LBPRGKRZSA-N 2 2 296.440 0.951 20 0 CCADLP Cc1cc(C[N@@H+](C)CCNC(=O)[C@H]2CC[NH+](C)C2)sn1 ZINC001399650452 915287628 /nfs/dbraw/zinc/28/76/28/915287628.db2.gz CSVPLYLZSNMVFV-LBPRGKRZSA-N 2 2 296.440 0.951 20 0 CCADLP Cc1cc(C[NH+](C)CCNC(=O)[C@H]2CC[N@H+](C)C2)sn1 ZINC001399650452 915287646 /nfs/dbraw/zinc/28/76/46/915287646.db2.gz CSVPLYLZSNMVFV-LBPRGKRZSA-N 2 2 296.440 0.951 20 0 CCADLP Cc1cc(C[NH+](C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)sn1 ZINC001399650452 915287663 /nfs/dbraw/zinc/28/76/63/915287663.db2.gz CSVPLYLZSNMVFV-LBPRGKRZSA-N 2 2 296.440 0.951 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001328645845 915330437 /nfs/dbraw/zinc/33/04/37/915330437.db2.gz BTRGTSAGSQIOAJ-UTUOFQBUSA-N 2 2 262.357 0.784 20 0 CCADLP Cc1cc(NC(=O)NCC(F)(F)C[NH3+])cc(C)[nH+]1 ZINC001328681918 915354794 /nfs/dbraw/zinc/35/47/94/915354794.db2.gz OYBMHNOUUABMGW-UHFFFAOYSA-N 2 2 258.272 0.836 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1C[NH+](CCF)C1 ZINC001400573647 915812614 /nfs/dbraw/zinc/81/26/14/915812614.db2.gz NQXXPXMNCVPDHU-VXGBXAGGSA-N 2 2 271.380 0.877 20 0 CCADLP [NH3+][C@H](c1noc([C@H]2C[NH2+]CCO2)n1)c1ccccc1 ZINC001329408564 915888951 /nfs/dbraw/zinc/88/89/51/915888951.db2.gz BVFSMUOQHIYFNU-MNOVXSKESA-N 2 2 260.297 0.779 20 0 CCADLP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001418072098 921808240 /nfs/dbraw/zinc/80/82/40/921808240.db2.gz KYOSFJNOGHXRRU-RYUDHWBXSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC001418072098 921808253 /nfs/dbraw/zinc/80/82/53/921808253.db2.gz KYOSFJNOGHXRRU-RYUDHWBXSA-N 2 2 280.372 0.256 20 0 CCADLP Cc1[nH+]cc2n1C[C@H](C(=O)NCC[NH+]1CC=CC1)CC2 ZINC001329648275 916096085 /nfs/dbraw/zinc/09/60/85/916096085.db2.gz QLDCIEXHTIANIC-CYBMUJFWSA-N 2 2 274.368 0.742 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccon1 ZINC001401225897 916133778 /nfs/dbraw/zinc/13/37/78/916133778.db2.gz QWPBHHUSFNPELY-LLVKDONJSA-N 2 2 291.355 0.816 20 0 CCADLP CC[C@H]([NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001401231516 916134027 /nfs/dbraw/zinc/13/40/27/916134027.db2.gz WMTVTDANDLAIEC-JQWIXIFHSA-N 2 2 295.387 0.043 20 0 CCADLP CC[C@H]([NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC001401231516 916134035 /nfs/dbraw/zinc/13/40/35/916134035.db2.gz WMTVTDANDLAIEC-JQWIXIFHSA-N 2 2 295.387 0.043 20 0 CCADLP Cc1nnc(C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)C(C)C)[nH]1 ZINC001401265604 916153912 /nfs/dbraw/zinc/15/39/12/916153912.db2.gz HQCCKSKTTVFOSB-NSHDSACASA-N 2 2 296.419 0.390 20 0 CCADLP Cc1nnc(C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C(C)C)[nH]1 ZINC001401265604 916153926 /nfs/dbraw/zinc/15/39/26/916153926.db2.gz HQCCKSKTTVFOSB-NSHDSACASA-N 2 2 296.419 0.390 20 0 CCADLP C[C@@H]([NH2+]CCO)[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001401301715 916168244 /nfs/dbraw/zinc/16/82/44/916168244.db2.gz XAWUNVOGNKRNGH-CHWSQXEVSA-N 2 2 294.399 0.172 20 0 CCADLP CC(C)[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]C[C@@H](C)O ZINC001401382595 916234676 /nfs/dbraw/zinc/23/46/76/916234676.db2.gz RKQIHKMQAFVVIX-DGCLKSJQSA-N 2 2 282.388 0.074 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001329924022 916281326 /nfs/dbraw/zinc/28/13/26/916281326.db2.gz NZEBRWJQDBVQAK-SDDRHHMPSA-N 2 2 262.357 0.641 20 0 CCADLP CC[C@H](C)C[NH2+]C[C@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001401566213 916333016 /nfs/dbraw/zinc/33/30/16/916333016.db2.gz MISGBLJKJQNDIM-JQWIXIFHSA-N 2 2 282.388 0.373 20 0 CCADLP COCC[NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001330606163 916736786 /nfs/dbraw/zinc/73/67/86/916736786.db2.gz YFVAPCVJXWOVMH-AULYBMBSSA-N 2 2 280.372 0.473 20 0 CCADLP COCC[NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001330606163 916736797 /nfs/dbraw/zinc/73/67/97/916736797.db2.gz YFVAPCVJXWOVMH-AULYBMBSSA-N 2 2 280.372 0.473 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1([NH2+]CC2CCOCC2)CC1 ZINC001401986385 916740172 /nfs/dbraw/zinc/74/01/72/916740172.db2.gz QACSONUHVLTKCP-UHFFFAOYSA-N 2 2 292.383 0.548 20 0 CCADLP COCCC[NH2+]C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001330707625 916806864 /nfs/dbraw/zinc/80/68/64/916806864.db2.gz GNDNQVASQDMVNX-JOCQHMNTSA-N 2 2 280.372 0.404 20 0 CCADLP Cc1cc(C)c(CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)c[nH+]1 ZINC001331116135 917100584 /nfs/dbraw/zinc/10/05/84/917100584.db2.gz QPINNXVNWCOYCL-BJHJDKERSA-N 2 2 290.367 0.168 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001402701847 917180570 /nfs/dbraw/zinc/18/05/70/917180570.db2.gz ZNGQCNXVFNMHGL-NWDGAFQWSA-N 2 2 280.372 0.161 20 0 CCADLP [NH3+][C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[C@H]1F ZINC001331225707 917196877 /nfs/dbraw/zinc/19/68/77/917196877.db2.gz URRUDJQEDPKRIF-GMTAPVOTSA-N 2 2 266.320 0.343 20 0 CCADLP C[C@]1(C[NH3+])CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001331226037 917197150 /nfs/dbraw/zinc/19/71/50/917197150.db2.gz XKALTXUJSNLWJW-SMDDNHRTSA-N 2 2 262.357 0.643 20 0 CCADLP C[C@H](CC(=O)N1CCC(C)([NH2+]CCO)CC1)n1cc[nH+]c1 ZINC001402784580 917224562 /nfs/dbraw/zinc/22/45/62/917224562.db2.gz CKFYFGTUGHRMCL-CYBMUJFWSA-N 2 2 294.399 0.797 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001402793269 917230940 /nfs/dbraw/zinc/23/09/40/917230940.db2.gz VDSPEECBCRPVPX-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001402793269 917230951 /nfs/dbraw/zinc/23/09/51/917230951.db2.gz VDSPEECBCRPVPX-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1cnn(C)c1 ZINC001402852147 917283670 /nfs/dbraw/zinc/28/36/70/917283670.db2.gz HLDZLGRABPBXCJ-NSHDSACASA-N 2 2 290.371 0.370 20 0 CCADLP O=S1(=O)CCC([NH2+]CCCC[NH+]2CCOCC2)CC1 ZINC001331526369 917395345 /nfs/dbraw/zinc/39/53/45/917395345.db2.gz WNUIGEMSCLSPJO-UHFFFAOYSA-N 2 2 290.429 0.266 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ncccn1)[NH+](C)C ZINC001403057117 917447706 /nfs/dbraw/zinc/44/77/06/917447706.db2.gz YMTVAHXTWMUKOD-GXTWGEPZSA-N 2 2 293.415 0.657 20 0 CCADLP CCc1noc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001403134738 917514669 /nfs/dbraw/zinc/51/46/69/917514669.db2.gz JFTUCGMYZAISQM-GHMZBOCLSA-N 2 2 295.387 0.178 20 0 CCADLP CCc1noc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001403134738 917514682 /nfs/dbraw/zinc/51/46/82/917514682.db2.gz JFTUCGMYZAISQM-GHMZBOCLSA-N 2 2 295.387 0.178 20 0 CCADLP CO[C@H](C)C[N@H+](C)[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001403188005 917566753 /nfs/dbraw/zinc/56/67/53/917566753.db2.gz VPMNWHRAQTUDCC-NWDGAFQWSA-N 2 2 282.388 0.434 20 0 CCADLP CO[C@H](C)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001403188005 917566764 /nfs/dbraw/zinc/56/67/64/917566764.db2.gz VPMNWHRAQTUDCC-NWDGAFQWSA-N 2 2 282.388 0.434 20 0 CCADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)C1C[NH+](Cc2ccccn2)C1 ZINC001403344117 917664213 /nfs/dbraw/zinc/66/42/13/917664213.db2.gz FOULFGVGCIWETA-CYBMUJFWSA-N 2 2 299.378 0.915 20 0 CCADLP CC[C@H](F)C[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001403536848 917787671 /nfs/dbraw/zinc/78/76/71/917787671.db2.gz SNTFXMSKXYHPAT-NWDGAFQWSA-N 2 2 275.368 0.113 20 0 CCADLP CC[C@H](F)C[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001403536848 917787682 /nfs/dbraw/zinc/78/76/82/917787682.db2.gz SNTFXMSKXYHPAT-NWDGAFQWSA-N 2 2 275.368 0.113 20 0 CCADLP CC[C@H](F)C[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001403536848 917787692 /nfs/dbraw/zinc/78/76/92/917787692.db2.gz SNTFXMSKXYHPAT-NWDGAFQWSA-N 2 2 275.368 0.113 20 0 CCADLP CC[C@H](F)C[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001403536848 917787702 /nfs/dbraw/zinc/78/77/02/917787702.db2.gz SNTFXMSKXYHPAT-NWDGAFQWSA-N 2 2 275.368 0.113 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1cnon1 ZINC001403624122 917858759 /nfs/dbraw/zinc/85/87/59/917858759.db2.gz NZTICBDUGRSDQW-NSHDSACASA-N 2 2 283.376 0.346 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1cnon1 ZINC001403624122 917858765 /nfs/dbraw/zinc/85/87/65/917858765.db2.gz NZTICBDUGRSDQW-NSHDSACASA-N 2 2 283.376 0.346 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001332117690 917873203 /nfs/dbraw/zinc/87/32/03/917873203.db2.gz DCWVZMGTVWGHCC-NSHDSACASA-N 2 2 266.345 0.480 20 0 CCADLP C[C@H]1CC[C@H](C[N@H+](C)CCNC(=O)CCn2cc[nH+]c2)O1 ZINC001403649803 917887722 /nfs/dbraw/zinc/88/77/22/917887722.db2.gz YKXJHBKFZBLJSF-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@H]1CC[C@H](C[N@@H+](C)CCNC(=O)CCn2cc[nH+]c2)O1 ZINC001403649803 917887727 /nfs/dbraw/zinc/88/77/27/917887727.db2.gz YKXJHBKFZBLJSF-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP CC(C)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001403864882 918072778 /nfs/dbraw/zinc/07/27/78/918072778.db2.gz FWCCOZDBMNTZFN-GXTWGEPZSA-N 2 2 296.415 0.653 20 0 CCADLP CC(C)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001403864882 918072799 /nfs/dbraw/zinc/07/27/99/918072799.db2.gz FWCCOZDBMNTZFN-GXTWGEPZSA-N 2 2 296.415 0.653 20 0 CCADLP C[C@@]1(C[NH3+])CC[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001332423449 918145152 /nfs/dbraw/zinc/14/51/52/918145152.db2.gz BSVMUHNRRBNIBT-RYUDHWBXSA-N 2 2 260.403 0.482 20 0 CCADLP C[C@@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001332423449 918145164 /nfs/dbraw/zinc/14/51/64/918145164.db2.gz BSVMUHNRRBNIBT-RYUDHWBXSA-N 2 2 260.403 0.482 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCc2c[nH+]cn2C)C1 ZINC001332558510 918274685 /nfs/dbraw/zinc/27/46/85/918274685.db2.gz WWEGYCVWEAQCHT-NXEZZACHSA-N 2 2 251.334 0.299 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001404345088 918321808 /nfs/dbraw/zinc/32/18/08/918321808.db2.gz SPRCYRDUQAKZAN-PWSUYJOCSA-N 2 2 295.387 0.439 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]CCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001404345088 918321822 /nfs/dbraw/zinc/32/18/22/918321822.db2.gz SPRCYRDUQAKZAN-PWSUYJOCSA-N 2 2 295.387 0.439 20 0 CCADLP CC[C@H](C(=O)N(C)CC[NH2+][C@H](C)c1ncccn1)[NH+](C)C ZINC001404467617 918359149 /nfs/dbraw/zinc/35/91/49/918359149.db2.gz OWTINYZLWJPZOU-CHWSQXEVSA-N 2 2 293.415 0.926 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001404538302 918384402 /nfs/dbraw/zinc/38/44/02/918384402.db2.gz BMPJXWPAJDTLNW-UONOGXRCSA-N 2 2 294.399 0.746 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001404538302 918384415 /nfs/dbraw/zinc/38/44/15/918384415.db2.gz BMPJXWPAJDTLNW-UONOGXRCSA-N 2 2 294.399 0.746 20 0 CCADLP CCN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001405174637 918635536 /nfs/dbraw/zinc/63/55/36/918635536.db2.gz MPMLYPKRDDYIFU-OLZOCXBDSA-N 2 2 294.399 0.266 20 0 CCADLP CCN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001405174637 918635548 /nfs/dbraw/zinc/63/55/48/918635548.db2.gz MPMLYPKRDDYIFU-OLZOCXBDSA-N 2 2 294.399 0.266 20 0 CCADLP CCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001405194523 918647247 /nfs/dbraw/zinc/64/72/47/918647247.db2.gz QHOPBYZIBAUFCG-OLZOCXBDSA-N 2 2 280.372 0.187 20 0 CCADLP CCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001405194523 918647254 /nfs/dbraw/zinc/64/72/54/918647254.db2.gz QHOPBYZIBAUFCG-OLZOCXBDSA-N 2 2 280.372 0.187 20 0 CCADLP COCCC[N@H+]1CC=C(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001333406079 918873523 /nfs/dbraw/zinc/87/35/23/918873523.db2.gz JXEXIWZUHOWHDU-UHFFFAOYSA-N 2 2 292.383 0.737 20 0 CCADLP COCCC[N@@H+]1CC=C(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001333406079 918873533 /nfs/dbraw/zinc/87/35/33/918873533.db2.gz JXEXIWZUHOWHDU-UHFFFAOYSA-N 2 2 292.383 0.737 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC12CC[NH+](C)CC2 ZINC001333555746 918994830 /nfs/dbraw/zinc/99/48/30/918994830.db2.gz OOYRTIXLDYRUEM-UHFFFAOYSA-N 2 2 262.357 0.659 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001333597440 919031749 /nfs/dbraw/zinc/03/17/49/919031749.db2.gz AQPSHWMAYOOGLF-YPMHNXCESA-N 2 2 263.345 0.504 20 0 CCADLP C[C@@H](C(N)=O)[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001406131187 919071173 /nfs/dbraw/zinc/07/11/73/919071173.db2.gz YPGTWPYEDUCKQI-LBPRGKRZSA-N 2 2 298.431 0.125 20 0 CCADLP C[C@@H](C(N)=O)[N@@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001406131187 919071185 /nfs/dbraw/zinc/07/11/85/919071185.db2.gz YPGTWPYEDUCKQI-LBPRGKRZSA-N 2 2 298.431 0.125 20 0 CCADLP Cc1oncc1C[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001406430991 919262314 /nfs/dbraw/zinc/26/23/14/919262314.db2.gz NEEOILHLJSMCSN-SNVBAGLBSA-N 2 2 277.328 0.474 20 0 CCADLP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1nc(C)no1 ZINC001406548178 919338690 /nfs/dbraw/zinc/33/86/90/919338690.db2.gz OGSPRAQRIGQKEY-QWRGUYRKSA-N 2 2 297.403 0.875 20 0 CCADLP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1nc(C)no1 ZINC001406548178 919338697 /nfs/dbraw/zinc/33/86/97/919338697.db2.gz OGSPRAQRIGQKEY-QWRGUYRKSA-N 2 2 297.403 0.875 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C)[nH]1 ZINC001406566016 919350613 /nfs/dbraw/zinc/35/06/13/919350613.db2.gz XZCGGKRHQODCKK-WDEREUQCSA-N 2 2 296.419 0.609 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)C(C)C)[nH]1 ZINC001406566016 919350624 /nfs/dbraw/zinc/35/06/24/919350624.db2.gz XZCGGKRHQODCKK-WDEREUQCSA-N 2 2 296.419 0.609 20 0 CCADLP Cc1cc(C[N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C)nn1C ZINC001406656249 919416886 /nfs/dbraw/zinc/41/68/86/919416886.db2.gz RSYIQQAOAFVNBU-LBPRGKRZSA-N 2 2 295.431 0.617 20 0 CCADLP Cc1cc(C[N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C)nn1C ZINC001406656249 919416894 /nfs/dbraw/zinc/41/68/94/919416894.db2.gz RSYIQQAOAFVNBU-LBPRGKRZSA-N 2 2 295.431 0.617 20 0 CCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H]1CC[N@@H+]1CCO ZINC001406825274 919484468 /nfs/dbraw/zinc/48/44/68/919484468.db2.gz HASFGJSNNMRGMT-OLZOCXBDSA-N 2 2 294.399 0.579 20 0 CCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H]1CC[N@H+]1CCO ZINC001406825274 919484480 /nfs/dbraw/zinc/48/44/80/919484480.db2.gz HASFGJSNNMRGMT-OLZOCXBDSA-N 2 2 294.399 0.579 20 0 CCADLP CC[C@@H](C[N@@H+]1CC[C@H]1CNC(=O)CCn1cc[nH+]c1)OC ZINC001406856124 919499269 /nfs/dbraw/zinc/49/92/69/919499269.db2.gz ZEAWCWYCDBNJON-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP CC[C@@H](C[N@H+]1CC[C@H]1CNC(=O)CCn1cc[nH+]c1)OC ZINC001406856124 919499277 /nfs/dbraw/zinc/49/92/77/919499277.db2.gz ZEAWCWYCDBNJON-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP C[N@H+](CC(=O)NC[C@H]1CC[NH+]1C)Cc1ccccc1 ZINC001334376648 919534950 /nfs/dbraw/zinc/53/49/50/919534950.db2.gz XWRDDBNLOUUWIG-CQSZACIVSA-N 2 2 261.369 0.939 20 0 CCADLP C[N@@H+](CC(=O)NC[C@H]1CC[NH+]1C)Cc1ccccc1 ZINC001334376648 919534962 /nfs/dbraw/zinc/53/49/62/919534962.db2.gz XWRDDBNLOUUWIG-CQSZACIVSA-N 2 2 261.369 0.939 20 0 CCADLP C[NH+](CC(=O)NC[C@H]1CC[N@@H+]1C)Cc1ccccc1 ZINC001334376648 919534978 /nfs/dbraw/zinc/53/49/78/919534978.db2.gz XWRDDBNLOUUWIG-CQSZACIVSA-N 2 2 261.369 0.939 20 0 CCADLP C[NH+](CC(=O)NC[C@H]1CC[N@H+]1C)Cc1ccccc1 ZINC001334376648 919534991 /nfs/dbraw/zinc/53/49/91/919534991.db2.gz XWRDDBNLOUUWIG-CQSZACIVSA-N 2 2 261.369 0.939 20 0 CCADLP COCC[N@@H+]1CCC[C@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001407286419 919686018 /nfs/dbraw/zinc/68/60/18/919686018.db2.gz ANGHSTLCXZZXLJ-OAHLLOKOSA-N 2 2 294.399 0.748 20 0 CCADLP COCC[N@H+]1CCC[C@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001407286419 919686025 /nfs/dbraw/zinc/68/60/25/919686025.db2.gz ANGHSTLCXZZXLJ-OAHLLOKOSA-N 2 2 294.399 0.748 20 0 CCADLP C[C@H](F)CC[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001407388114 919739425 /nfs/dbraw/zinc/73/94/25/919739425.db2.gz VEWIGHAZZYASDE-JSGCOSHPSA-N 2 2 298.362 0.184 20 0 CCADLP C[C@H](F)CC[N@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001407388114 919739434 /nfs/dbraw/zinc/73/94/34/919739434.db2.gz VEWIGHAZZYASDE-JSGCOSHPSA-N 2 2 298.362 0.184 20 0 CCADLP CC(C)[NH2+]CCN(CCO)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001407649023 919841765 /nfs/dbraw/zinc/84/17/65/919841765.db2.gz BWRNAGDLMVRYLL-ZDUSSCGKSA-N 2 2 282.388 0.653 20 0 CCADLP CCC[N@@H+]1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001407641289 919842627 /nfs/dbraw/zinc/84/26/27/919842627.db2.gz QVYYACMXILJHCZ-CQSZACIVSA-N 2 2 280.372 0.236 20 0 CCADLP CCC[N@H+]1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001407641289 919842633 /nfs/dbraw/zinc/84/26/33/919842633.db2.gz QVYYACMXILJHCZ-CQSZACIVSA-N 2 2 280.372 0.236 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1CC[NH2+]CC1 ZINC001335308297 920109467 /nfs/dbraw/zinc/10/94/67/920109467.db2.gz LPCHGKZFHXEGSR-JTQLQIEISA-N 2 2 250.346 0.799 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1CC[NH2+]CC1 ZINC001335308297 920109477 /nfs/dbraw/zinc/10/94/77/920109477.db2.gz LPCHGKZFHXEGSR-JTQLQIEISA-N 2 2 250.346 0.799 20 0 CCADLP C[C@@H](C[NH2+]C[C@H](O)C1(O)CCCC1)Cn1cc[nH+]c1 ZINC001335349947 920138054 /nfs/dbraw/zinc/13/80/54/920138054.db2.gz AOJBHOVBRGVNEF-STQMWFEESA-N 2 2 267.373 0.775 20 0 CCADLP C[C@H]1CC[N@H+](CC[NH2+]C[C@H](O)CC2(O)CCOCC2)C1 ZINC001335443182 920196108 /nfs/dbraw/zinc/19/61/08/920196108.db2.gz CVOJXQMUPWZBFY-UONOGXRCSA-N 2 2 286.416 0.210 20 0 CCADLP C[C@H]1CC[N@@H+](CC[NH2+]C[C@H](O)CC2(O)CCOCC2)C1 ZINC001335443182 920196122 /nfs/dbraw/zinc/19/61/22/920196122.db2.gz CVOJXQMUPWZBFY-UONOGXRCSA-N 2 2 286.416 0.210 20 0 CCADLP C[C@@H](COCC1CC1)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC001336004293 920559668 /nfs/dbraw/zinc/55/96/68/920559668.db2.gz YGBHUHKZYOGNQK-SMDDNHRTSA-N 2 2 256.390 0.846 20 0 CCADLP C[C@@H](COCC1CC1)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC001336004293 920559676 /nfs/dbraw/zinc/55/96/76/920559676.db2.gz YGBHUHKZYOGNQK-SMDDNHRTSA-N 2 2 256.390 0.846 20 0 CCADLP [NH3+]CCCOC1CCN(C(=O)C[C@@H]([NH3+])C(F)F)CC1 ZINC001336660497 920912122 /nfs/dbraw/zinc/91/21/22/920912122.db2.gz QOKYFWPTCOTYSH-SNVBAGLBSA-N 2 2 279.331 0.325 20 0 CCADLP NC(=O)NC(=O)CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001336800622 921018814 /nfs/dbraw/zinc/01/88/14/921018814.db2.gz HZTKIVXAADORNN-GHMZBOCLSA-N 2 2 268.361 0.178 20 0 CCADLP NC(=O)NC(=O)CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001336800622 921018827 /nfs/dbraw/zinc/01/88/27/921018827.db2.gz HZTKIVXAADORNN-GHMZBOCLSA-N 2 2 268.361 0.178 20 0 CCADLP CC(C)OCC[C@@H](O)C[NH2+][C@@H]1Cc2c[nH+]cn2C1 ZINC001336829321 921045267 /nfs/dbraw/zinc/04/52/67/921045267.db2.gz MTXBLJPVZWJZJN-DGCLKSJQSA-N 2 2 253.346 0.573 20 0 CCADLP C[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC001336921423 921106333 /nfs/dbraw/zinc/10/63/33/921106333.db2.gz IIPAMGZNACJWCD-NSHDSACASA-N 2 2 287.323 0.093 20 0 CCADLP C[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC001336921423 921106336 /nfs/dbraw/zinc/10/63/36/921106336.db2.gz IIPAMGZNACJWCD-NSHDSACASA-N 2 2 287.323 0.093 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nncs1 ZINC001418314283 922014967 /nfs/dbraw/zinc/01/49/67/922014967.db2.gz HEWJAJVOFIREMS-VHSXEESVSA-N 2 2 283.401 0.084 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1nncs1 ZINC001418314283 922014986 /nfs/dbraw/zinc/01/49/86/922014986.db2.gz HEWJAJVOFIREMS-VHSXEESVSA-N 2 2 283.401 0.084 20 0 CCADLP Cc1ccnc(C[NH2+][C@H](C)CNC(=O)C[NH+]2CCCC2)n1 ZINC001418312728 922015794 /nfs/dbraw/zinc/01/57/94/922015794.db2.gz CRTCMDOYVNCLRW-CYBMUJFWSA-N 2 2 291.399 0.475 20 0 CCADLP C[C@]1(C(=O)Nc2ccc3[nH+]ccn3c2)C[C@@H](O)C[NH2+]1 ZINC001340633077 922148457 /nfs/dbraw/zinc/14/84/57/922148457.db2.gz DCFINUCEEIYSBG-ZWNOBZJWSA-N 2 2 260.297 0.386 20 0 CCADLP COC[C@@H](C)[N@H+](C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001418497825 922183040 /nfs/dbraw/zinc/18/30/40/922183040.db2.gz CMLYXAGRUHIXPJ-QWHCGFSZSA-N 2 2 282.388 0.917 20 0 CCADLP COC[C@@H](C)[N@@H+](C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001418497825 922183055 /nfs/dbraw/zinc/18/30/55/922183055.db2.gz CMLYXAGRUHIXPJ-QWHCGFSZSA-N 2 2 282.388 0.917 20 0 CCADLP CC[C@@H](C(=O)N[C@@H]1CC[NH2+]C1)[N@@H+]1CCO[C@@H](CC)C1 ZINC001340736685 922193557 /nfs/dbraw/zinc/19/35/57/922193557.db2.gz VAHYTNVEJIVJFQ-AGIUHOORSA-N 2 2 269.389 0.354 20 0 CCADLP CC[C@@H](C(=O)N[C@@H]1CC[NH2+]C1)[N@H+]1CCO[C@@H](CC)C1 ZINC001340736685 922193563 /nfs/dbraw/zinc/19/35/63/922193563.db2.gz VAHYTNVEJIVJFQ-AGIUHOORSA-N 2 2 269.389 0.354 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001418608257 922307060 /nfs/dbraw/zinc/30/70/60/922307060.db2.gz RXSAQHKAXUFVCQ-QWHCGFSZSA-N 2 2 280.372 0.451 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001418608257 922307075 /nfs/dbraw/zinc/30/70/75/922307075.db2.gz RXSAQHKAXUFVCQ-QWHCGFSZSA-N 2 2 280.372 0.451 20 0 CCADLP CCO[C@H](CNC(=O)C[C@@H]([NH3+])C(F)F)C[NH+](C)C ZINC001341059794 922333069 /nfs/dbraw/zinc/33/30/69/922333069.db2.gz ZVGTTYROCZXPRD-RKDXNWHRSA-N 2 2 267.320 0.052 20 0 CCADLP CC[C@H](C[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1)OC ZINC001418688916 922363107 /nfs/dbraw/zinc/36/31/07/922363107.db2.gz PEWYWNYMQPUJHB-GXTWGEPZSA-N 2 2 294.399 0.815 20 0 CCADLP CC[C@H](C[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1)OC ZINC001418688916 922363120 /nfs/dbraw/zinc/36/31/20/922363120.db2.gz PEWYWNYMQPUJHB-GXTWGEPZSA-N 2 2 294.399 0.815 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NC[C@@H]1CC[N@H+](CCCO)C1 ZINC001418692767 922366923 /nfs/dbraw/zinc/36/69/23/922366923.db2.gz VUIKTIATGLYSTA-ZDUSSCGKSA-N 2 2 294.399 0.173 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NC[C@@H]1CC[N@@H+](CCCO)C1 ZINC001418692767 922366938 /nfs/dbraw/zinc/36/69/38/922366938.db2.gz VUIKTIATGLYSTA-ZDUSSCGKSA-N 2 2 294.399 0.173 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001418703132 922372380 /nfs/dbraw/zinc/37/23/80/922372380.db2.gz NRVFTLYCZVPUML-JHJVBQTASA-N 2 2 294.399 0.482 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC001341446855 922488822 /nfs/dbraw/zinc/48/88/22/922488822.db2.gz JMYKUOZJXFPZNY-BXUZGUMPSA-N 2 2 262.357 0.991 20 0 CCADLP Cn1c[nH+]cc1CN1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001418984768 922543339 /nfs/dbraw/zinc/54/33/39/922543339.db2.gz ZQKOZVKMYJAGDL-UHFFFAOYSA-N 2 2 291.399 0.062 20 0 CCADLP CO[C@H](C)C[NH+]1CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001419021239 922578370 /nfs/dbraw/zinc/57/83/70/922578370.db2.gz FPTQLCJXSFZOMU-GFCCVEGCSA-N 2 2 280.372 0.356 20 0 CCADLP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1cnn(C)c1 ZINC001419245794 922729923 /nfs/dbraw/zinc/72/99/23/922729923.db2.gz JZWPEGNDMFABIN-LBPRGKRZSA-N 2 2 290.371 0.370 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]([NH2+]C[C@@H]1CCOC1)C1CC1 ZINC001419328331 922771310 /nfs/dbraw/zinc/77/13/10/922771310.db2.gz SFHPAWFQLWMDQI-GXTWGEPZSA-N 2 2 292.383 0.404 20 0 CCADLP C[C@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[NH2+]1 ZINC001342319615 922908131 /nfs/dbraw/zinc/90/81/31/922908131.db2.gz BMOZVDYWURZEKD-IRCOFANPSA-N 2 2 262.357 0.780 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCCC[N@H+]1C[C@@H](C)O ZINC001419605139 922946598 /nfs/dbraw/zinc/94/65/98/922946598.db2.gz AGOLVJOOLPQLTC-YPMHNXCESA-N 2 2 294.399 0.612 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H](C)O ZINC001419605139 922946606 /nfs/dbraw/zinc/94/66/06/922946606.db2.gz AGOLVJOOLPQLTC-YPMHNXCESA-N 2 2 294.399 0.612 20 0 CCADLP C[C@@]1(C(=O)NCC[NH+]2CCC([NH3+])CC2)CCCOC1 ZINC001342549369 922995952 /nfs/dbraw/zinc/99/59/52/922995952.db2.gz QJQFAOUWIXJAMG-CQSZACIVSA-N 2 2 269.389 0.342 20 0 CCADLP C[C@]1(C(=O)NCC[NH+]2CCC([NH3+])CC2)CCCOC1 ZINC001342549366 922997158 /nfs/dbraw/zinc/99/71/58/922997158.db2.gz QJQFAOUWIXJAMG-AWEZNQCLSA-N 2 2 269.389 0.342 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)C[C@H]([NH3+])C(F)F ZINC001343438315 923316776 /nfs/dbraw/zinc/31/67/76/923316776.db2.gz CSRVWFPQPGSFHI-VIFPVBQESA-N 2 2 267.320 0.053 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)C[C@H]([NH3+])C(F)F ZINC001343438315 923316786 /nfs/dbraw/zinc/31/67/86/923316786.db2.gz CSRVWFPQPGSFHI-VIFPVBQESA-N 2 2 267.320 0.053 20 0 CCADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001343525702 923362754 /nfs/dbraw/zinc/36/27/54/923362754.db2.gz LJXXEKNRSXAMRL-RNCFNFMXSA-N 2 2 256.309 0.997 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC001343947230 923512833 /nfs/dbraw/zinc/51/28/33/923512833.db2.gz ZQFGZBLXVOJPBV-MXWKQRLJSA-N 2 2 250.346 0.927 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC001343947230 923512849 /nfs/dbraw/zinc/51/28/49/923512849.db2.gz ZQFGZBLXVOJPBV-MXWKQRLJSA-N 2 2 250.346 0.927 20 0 CCADLP CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)C1 ZINC001420806986 923948447 /nfs/dbraw/zinc/94/84/47/923948447.db2.gz JMXBEABVQTZUPC-UONOGXRCSA-N 2 2 282.432 0.175 20 0 CCADLP CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)C1 ZINC001420806986 923948455 /nfs/dbraw/zinc/94/84/55/923948455.db2.gz JMXBEABVQTZUPC-UONOGXRCSA-N 2 2 282.432 0.175 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@H+]1CCOC(C)C ZINC001420846117 923976872 /nfs/dbraw/zinc/97/68/72/923976872.db2.gz JBYWZDKUCZBSGX-AWEZNQCLSA-N 2 2 294.399 0.807 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@@H+]1CCOC(C)C ZINC001420846117 923976885 /nfs/dbraw/zinc/97/68/85/923976885.db2.gz JBYWZDKUCZBSGX-AWEZNQCLSA-N 2 2 294.399 0.807 20 0 CCADLP CC(C)OCC[N@@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001420913619 924016199 /nfs/dbraw/zinc/01/61/99/924016199.db2.gz OMCBYWYCYMYUOQ-ZDUSSCGKSA-N 2 2 280.372 0.499 20 0 CCADLP CC(C)OCC[N@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001420913619 924016210 /nfs/dbraw/zinc/01/62/10/924016210.db2.gz OMCBYWYCYMYUOQ-ZDUSSCGKSA-N 2 2 280.372 0.499 20 0 CCADLP CC(C)NC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001421247865 924236789 /nfs/dbraw/zinc/23/67/89/924236789.db2.gz ZOAOBGCGOUFEQG-ZDUSSCGKSA-N 2 2 298.431 0.042 20 0 CCADLP CC(C)NC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001421247865 924236802 /nfs/dbraw/zinc/23/68/02/924236802.db2.gz ZOAOBGCGOUFEQG-ZDUSSCGKSA-N 2 2 298.431 0.042 20 0 CCADLP CC(C)NC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001421247865 924236810 /nfs/dbraw/zinc/23/68/10/924236810.db2.gz ZOAOBGCGOUFEQG-ZDUSSCGKSA-N 2 2 298.431 0.042 20 0 CCADLP CC(C)NC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001421247865 924236821 /nfs/dbraw/zinc/23/68/21/924236821.db2.gz ZOAOBGCGOUFEQG-ZDUSSCGKSA-N 2 2 298.431 0.042 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CC[NH2+][C@H]1C ZINC001346582401 924268367 /nfs/dbraw/zinc/26/83/67/924268367.db2.gz IOOQIAZRLUTERZ-RWMBFGLXSA-N 2 2 269.389 0.164 20 0 CCADLP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(N)=O ZINC001347179217 924391832 /nfs/dbraw/zinc/39/18/32/924391832.db2.gz UCFJALOWAUIVCM-RYUDHWBXSA-N 2 2 255.362 0.093 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001347598005 924490038 /nfs/dbraw/zinc/49/00/38/924490038.db2.gz UBCVERAJMGJIDI-WCFLWFBJSA-N 2 2 262.357 0.419 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001347598005 924490042 /nfs/dbraw/zinc/49/00/42/924490042.db2.gz UBCVERAJMGJIDI-WCFLWFBJSA-N 2 2 262.357 0.419 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC001351128415 925367211 /nfs/dbraw/zinc/36/72/11/925367211.db2.gz GSKUKHMYDKMRGW-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP Cn1c[nH+]cc1Cn1cc([C@H]([NH3+])[C@@H]2CCCO2)nn1 ZINC001352983253 925689652 /nfs/dbraw/zinc/68/96/52/925689652.db2.gz JHJLXAVIGZHYDG-RYUDHWBXSA-N 2 2 262.317 0.239 20 0 CCADLP C[C@H](C(=O)NCc1coc(C[NH+](C)C)n1)[NH+](C)C ZINC001353112387 925732084 /nfs/dbraw/zinc/73/20/84/925732084.db2.gz UYWBNUCVZXFOBK-SECBINFHSA-N 2 2 254.334 0.303 20 0 CCADLP O=C(NCCn1cc[nH+]c1)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001353255773 925773157 /nfs/dbraw/zinc/77/31/57/925773157.db2.gz WEVNBTVDYMPMQZ-AAEUAGOBSA-N 2 2 263.345 0.324 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC001353653112 925896005 /nfs/dbraw/zinc/89/60/05/925896005.db2.gz BNLLOVRBBKPVIJ-ZYHUDNBSSA-N 2 2 262.357 0.847 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC001353653112 925896016 /nfs/dbraw/zinc/89/60/16/925896016.db2.gz BNLLOVRBBKPVIJ-ZYHUDNBSSA-N 2 2 262.357 0.847 20 0 CCADLP CC1(C)CC[C@H](CNC(=O)C[C@@H]([NH3+])C(F)F)[NH2+]C1 ZINC001354474072 926114064 /nfs/dbraw/zinc/11/40/64/926114064.db2.gz HFTRNXBGJIOLHX-RKDXNWHRSA-N 2 2 263.332 0.863 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC001354771462 926162479 /nfs/dbraw/zinc/16/24/79/926162479.db2.gz XVUMYPVCUWNCSM-DGCLKSJQSA-N 3 2 268.405 0.043 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC001355696074 926304941 /nfs/dbraw/zinc/30/49/41/926304941.db2.gz NGMPTYAWEDLKRQ-YUSALJHKSA-N 2 2 262.357 0.974 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC001355696074 926304952 /nfs/dbraw/zinc/30/49/52/926304952.db2.gz NGMPTYAWEDLKRQ-YUSALJHKSA-N 2 2 262.357 0.974 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H](O)c1cccnc1)C1CC1 ZINC001356544920 926398299 /nfs/dbraw/zinc/39/82/99/926398299.db2.gz LEUXNUWYUUQRRU-UONOGXRCSA-N 2 2 265.357 0.160 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H](O)c1cccnc1)C1CC1 ZINC001356544920 926398302 /nfs/dbraw/zinc/39/83/02/926398302.db2.gz LEUXNUWYUUQRRU-UONOGXRCSA-N 2 2 265.357 0.160 20 0 CCADLP COC[C@H]1C[NH2+]CCN1C(=O)NCCCCn1cc[nH+]c1 ZINC001356584516 926405904 /nfs/dbraw/zinc/40/59/04/926405904.db2.gz HWDOBDIBQYSWOK-CYBMUJFWSA-N 2 2 295.387 0.293 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC1 ZINC001358110928 926640139 /nfs/dbraw/zinc/64/01/39/926640139.db2.gz CXGSVBXKOYVXNU-TXEJJXNPSA-N 3 2 268.405 0.043 20 0 CCADLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]C[C@@H]1CCCOC1 ZINC001421455192 926757803 /nfs/dbraw/zinc/75/78/03/926757803.db2.gz HATFPDYWGMVMML-QWHCGFSZSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C[NH2+]C[C@@H]1CCOC1 ZINC001421704777 926861568 /nfs/dbraw/zinc/86/15/68/926861568.db2.gz VOOVBOFOZDBQKY-OLZOCXBDSA-N 2 2 294.399 0.721 20 0 CCADLP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)C[NH2+]C[C@@H]1CCOC1 ZINC001421704777 926861580 /nfs/dbraw/zinc/86/15/80/926861580.db2.gz VOOVBOFOZDBQKY-OLZOCXBDSA-N 2 2 294.399 0.721 20 0 CCADLP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001421958385 927014141 /nfs/dbraw/zinc/01/41/41/927014141.db2.gz MTHHTDPLCUMGEW-VXGBXAGGSA-N 2 2 295.387 0.017 20 0 CCADLP COCC[N@@H+](C)CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001422204682 927145305 /nfs/dbraw/zinc/14/53/05/927145305.db2.gz FTGLFDQEHFQCEF-ZDUSSCGKSA-N 2 2 282.388 0.871 20 0 CCADLP C[C@@H](O)C[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001422249425 927173478 /nfs/dbraw/zinc/17/34/78/927173478.db2.gz OATAARKJIMGXHM-OLZOCXBDSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001422249425 927173491 /nfs/dbraw/zinc/17/34/91/927173491.db2.gz OATAARKJIMGXHM-OLZOCXBDSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@H](O)C[NH2+]CC1CC(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001422274125 927186157 /nfs/dbraw/zinc/18/61/57/927186157.db2.gz KGZIDGWVIGKLKQ-HIFPTAJRSA-N 2 2 294.399 0.218 20 0 CCADLP CN(C(=O)CCc1c[nH]c[nH+]1)C1CCC([NH2+]CCO)CC1 ZINC001422417708 927271182 /nfs/dbraw/zinc/27/11/82/927271182.db2.gz BSKJBVLMFRKCMM-UHFFFAOYSA-N 2 2 294.399 0.694 20 0 CCADLP CN(C(=O)CCc1c[nH+]c[nH]1)C1CCC([NH2+]CCO)CC1 ZINC001422417708 927271197 /nfs/dbraw/zinc/27/11/97/927271197.db2.gz BSKJBVLMFRKCMM-UHFFFAOYSA-N 2 2 294.399 0.694 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2cn(C)nn2)C1 ZINC001422433967 927276258 /nfs/dbraw/zinc/27/62/58/927276258.db2.gz FWFPRIGUPVXBJI-ZIAGYGMSSA-N 2 2 295.431 0.696 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2cn(C)nn2)C1 ZINC001422433967 927276268 /nfs/dbraw/zinc/27/62/68/927276268.db2.gz FWFPRIGUPVXBJI-ZIAGYGMSSA-N 2 2 295.431 0.696 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](c2cn(C)nn2)C1 ZINC001422433967 927276286 /nfs/dbraw/zinc/27/62/86/927276286.db2.gz FWFPRIGUPVXBJI-ZIAGYGMSSA-N 2 2 295.431 0.696 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](c2cn(C)nn2)C1 ZINC001422433967 927276295 /nfs/dbraw/zinc/27/62/95/927276295.db2.gz FWFPRIGUPVXBJI-ZIAGYGMSSA-N 2 2 295.431 0.696 20 0 CCADLP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)[NH2+]Cc1cnsn1 ZINC001422444642 927281301 /nfs/dbraw/zinc/28/13/01/927281301.db2.gz VDOBYDXMFOWPDV-GHMZBOCLSA-N 2 2 297.428 0.617 20 0 CCADLP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001361743498 927293807 /nfs/dbraw/zinc/29/38/07/927293807.db2.gz QPFGJATTXDWBQA-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP Cc1csc(C[NH2+]C[C@H](C)NC(=O)Cn2cc[nH+]c2)n1 ZINC001422756960 927491236 /nfs/dbraw/zinc/49/12/36/927491236.db2.gz HJJNWGSRGZDTKV-JTQLQIEISA-N 2 2 293.396 0.943 20 0 CCADLP C[C@H](CNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O)Cn1cc[nH+]c1 ZINC001361993996 927506017 /nfs/dbraw/zinc/50/60/17/927506017.db2.gz NEQBUYLUJGQYKP-MGPQQGTHSA-N 2 2 294.399 0.481 20 0 CCADLP C[C@H](CNC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O)Cn1cc[nH+]c1 ZINC001361993996 927506029 /nfs/dbraw/zinc/50/60/29/927506029.db2.gz NEQBUYLUJGQYKP-MGPQQGTHSA-N 2 2 294.399 0.481 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001423184923 927718779 /nfs/dbraw/zinc/71/87/79/927718779.db2.gz ZSKWMSSGQFXLSI-NWDGAFQWSA-N 2 2 280.372 0.188 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001423184923 927718790 /nfs/dbraw/zinc/71/87/90/927718790.db2.gz ZSKWMSSGQFXLSI-NWDGAFQWSA-N 2 2 280.372 0.188 20 0 CCADLP C[C@H](NC(=O)CC[NH+]1CC[C@H](F)C1)[C@H]1C[N@@H+](C)CCO1 ZINC001362226725 927748925 /nfs/dbraw/zinc/74/89/25/927748925.db2.gz GIFNCNHCYLFVCJ-RWMBFGLXSA-N 2 2 287.379 0.256 20 0 CCADLP C[C@H](NC(=O)CC[N@@H+]1CC[C@H](F)C1)[C@H]1C[NH+](C)CCO1 ZINC001362226725 927748888 /nfs/dbraw/zinc/74/88/88/927748888.db2.gz GIFNCNHCYLFVCJ-RWMBFGLXSA-N 2 2 287.379 0.256 20 0 CCADLP C[C@H](NC(=O)CC[N@H+]1CC[C@H](F)C1)[C@H]1C[NH+](C)CCO1 ZINC001362226725 927748898 /nfs/dbraw/zinc/74/88/98/927748898.db2.gz GIFNCNHCYLFVCJ-RWMBFGLXSA-N 2 2 287.379 0.256 20 0 CCADLP C[C@H](NC(=O)CC[NH+]1CC[C@H](F)C1)[C@H]1C[N@H+](C)CCO1 ZINC001362226725 927748909 /nfs/dbraw/zinc/74/89/09/927748909.db2.gz GIFNCNHCYLFVCJ-RWMBFGLXSA-N 2 2 287.379 0.256 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NCC2([NH2+]CCF)CC2)no1 ZINC001423238193 927757810 /nfs/dbraw/zinc/75/78/10/927757810.db2.gz JXTBHIJUWLLTLA-UHFFFAOYSA-N 2 2 284.335 0.558 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](CO)[NH2+]CCC1CC1 ZINC001423291330 927793225 /nfs/dbraw/zinc/79/32/25/927793225.db2.gz UKECQNRDBJSYGH-GFCCVEGCSA-N 2 2 280.372 0.127 20 0 CCADLP CC[C@@H](C(=O)NCC1([NH2+]Cc2nnc(C)[nH]2)CC1)[NH+](C)C ZINC001423294783 927794418 /nfs/dbraw/zinc/79/44/18/927794418.db2.gz UAWWEIFSWZENMT-NSHDSACASA-N 2 2 294.403 0.192 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCC[C@@](C)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001423706867 927961670 /nfs/dbraw/zinc/96/16/70/927961670.db2.gz WZWDFMPRKSXZIL-DOMZBBRYSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](O)C[N@H+]1CCC[C@@](C)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001423706867 927961682 /nfs/dbraw/zinc/96/16/82/927961682.db2.gz WZWDFMPRKSXZIL-DOMZBBRYSA-N 2 2 294.399 0.551 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCO)[C@H](C)C1 ZINC001362401770 927970809 /nfs/dbraw/zinc/97/08/09/927970809.db2.gz YYZCCJPOYKQDPH-CABCVRRESA-N 2 2 297.443 0.632 20 0 CCADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCO)[C@H](C)C1 ZINC001362401770 927970817 /nfs/dbraw/zinc/97/08/17/927970817.db2.gz YYZCCJPOYKQDPH-CABCVRRESA-N 2 2 297.443 0.632 20 0 CCADLP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC001362401770 927970825 /nfs/dbraw/zinc/97/08/25/927970825.db2.gz YYZCCJPOYKQDPH-CABCVRRESA-N 2 2 297.443 0.632 20 0 CCADLP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC001362401770 927970830 /nfs/dbraw/zinc/97/08/30/927970830.db2.gz YYZCCJPOYKQDPH-CABCVRRESA-N 2 2 297.443 0.632 20 0 CCADLP Cc1noc(C[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001424801722 928301192 /nfs/dbraw/zinc/30/11/92/928301192.db2.gz GUPUIGVLVLSYJR-ZJUUUORDSA-N 2 2 283.376 0.313 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC([NH2+]C2CCOCC2)C1 ZINC001362918382 928651526 /nfs/dbraw/zinc/65/15/26/928651526.db2.gz SDIQUMTUMQAUIZ-NSHDSACASA-N 2 2 292.383 0.568 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC([NH2+]C2CCOCC2)C1 ZINC001362918382 928651536 /nfs/dbraw/zinc/65/15/36/928651536.db2.gz SDIQUMTUMQAUIZ-NSHDSACASA-N 2 2 292.383 0.568 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H](CO)[NH2+]CC1CCC1 ZINC001425751188 928658086 /nfs/dbraw/zinc/65/80/86/928658086.db2.gz AVDCQRCOTSWCGP-ZDUSSCGKSA-N 2 2 280.372 0.209 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H](CO)[NH2+]CC1CCC1 ZINC001425751188 928658096 /nfs/dbraw/zinc/65/80/96/928658096.db2.gz AVDCQRCOTSWCGP-ZDUSSCGKSA-N 2 2 280.372 0.209 20 0 CCADLP C[C@@H](CC[NH+](C)C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001362922474 928658504 /nfs/dbraw/zinc/65/85/04/928658504.db2.gz PBLXWHHHJCIZQY-UONOGXRCSA-N 2 2 283.416 0.507 20 0 CCADLP CCC[NH2+][C@H](CO)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001425762620 928662667 /nfs/dbraw/zinc/66/26/67/928662667.db2.gz WXOLQLSONIEALD-ZDUSSCGKSA-N 2 2 290.367 0.733 20 0 CCADLP O=C([C@@H]1CCC[NH+]1C1CC1)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001363037917 928788759 /nfs/dbraw/zinc/78/87/59/928788759.db2.gz JAIGWCBPHRQFEI-UBHSHLNASA-N 2 2 281.375 0.868 20 0 CCADLP O=C([C@@H]1CCC[NH+]1C1CC1)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001363037917 928788763 /nfs/dbraw/zinc/78/87/63/928788763.db2.gz JAIGWCBPHRQFEI-UBHSHLNASA-N 2 2 281.375 0.868 20 0 CCADLP O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CC[NH+]2C[C@@H](F)C[C@H]2C1 ZINC001363037917 928788768 /nfs/dbraw/zinc/78/87/68/928788768.db2.gz JAIGWCBPHRQFEI-UBHSHLNASA-N 2 2 281.375 0.868 20 0 CCADLP O=C([C@@H]1CCC[N@H+]1C1CC1)N1CC[NH+]2C[C@@H](F)C[C@H]2C1 ZINC001363037917 928788771 /nfs/dbraw/zinc/78/87/71/928788771.db2.gz JAIGWCBPHRQFEI-UBHSHLNASA-N 2 2 281.375 0.868 20 0 CCADLP C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001363712500 929511605 /nfs/dbraw/zinc/51/16/05/929511605.db2.gz TXRWHRBQMFCIOH-IUODEOHRSA-N 2 2 294.399 0.264 20 0 CCADLP C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccn(C)n1 ZINC001371857970 929647892 /nfs/dbraw/zinc/64/78/92/929647892.db2.gz UTEIWHPFGKHRQB-NSHDSACASA-N 2 2 290.371 0.370 20 0 CCADLP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccns1 ZINC001371929377 929673457 /nfs/dbraw/zinc/67/34/57/929673457.db2.gz XUTJAVIPQJEXNS-GFCCVEGCSA-N 2 2 282.413 0.785 20 0 CCADLP C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)Cc1ccns1 ZINC001371929377 929673463 /nfs/dbraw/zinc/67/34/63/929673463.db2.gz XUTJAVIPQJEXNS-GFCCVEGCSA-N 2 2 282.413 0.785 20 0 CCADLP C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1ccns1 ZINC001371929377 929673476 /nfs/dbraw/zinc/67/34/76/929673476.db2.gz XUTJAVIPQJEXNS-GFCCVEGCSA-N 2 2 282.413 0.785 20 0 CCADLP C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)Cc1ccns1 ZINC001371929377 929673485 /nfs/dbraw/zinc/67/34/85/929673485.db2.gz XUTJAVIPQJEXNS-GFCCVEGCSA-N 2 2 282.413 0.785 20 0 CCADLP COCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001443849857 929721150 /nfs/dbraw/zinc/72/11/50/929721150.db2.gz UMGZVDIJHIRLCV-JSGCOSHPSA-N 2 2 294.399 0.767 20 0 CCADLP COCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001443849857 929721156 /nfs/dbraw/zinc/72/11/56/929721156.db2.gz UMGZVDIJHIRLCV-JSGCOSHPSA-N 2 2 294.399 0.767 20 0 CCADLP COCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001443849857 929721162 /nfs/dbraw/zinc/72/11/62/929721162.db2.gz UMGZVDIJHIRLCV-JSGCOSHPSA-N 2 2 294.399 0.767 20 0 CCADLP COCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001443849857 929721166 /nfs/dbraw/zinc/72/11/66/929721166.db2.gz UMGZVDIJHIRLCV-JSGCOSHPSA-N 2 2 294.399 0.767 20 0 CCADLP CN(C(=O)CCCn1cc[nH+]c1)[C@H]1CC[N@H+](CCO)C1 ZINC001443847168 929721430 /nfs/dbraw/zinc/72/14/30/929721430.db2.gz QPCSTRYIQWWBEX-ZDUSSCGKSA-N 2 2 280.372 0.188 20 0 CCADLP CN(C(=O)CCCn1cc[nH+]c1)[C@H]1CC[N@@H+](CCO)C1 ZINC001443847168 929721434 /nfs/dbraw/zinc/72/14/34/929721434.db2.gz QPCSTRYIQWWBEX-ZDUSSCGKSA-N 2 2 280.372 0.188 20 0 CCADLP COC[C@H](C)[NH2+]CCN(C)C(=O)CCc1c[nH+]cn1C ZINC001372975940 930035719 /nfs/dbraw/zinc/03/57/19/930035719.db2.gz IPZWEHSRRUOBCA-LBPRGKRZSA-N 2 2 282.388 0.436 20 0 CCADLP Cc1noc(C)c1C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001445438526 930133798 /nfs/dbraw/zinc/13/37/98/930133798.db2.gz CVXNNSPJTZVPBL-SECBINFHSA-N 2 2 291.355 0.852 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1nc(C)no1 ZINC001445647606 930195200 /nfs/dbraw/zinc/19/52/00/930195200.db2.gz YEJUZLDUXMDFDC-JTQLQIEISA-N 2 2 283.376 0.314 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1nc(C)no1 ZINC001445647606 930195208 /nfs/dbraw/zinc/19/52/08/930195208.db2.gz YEJUZLDUXMDFDC-JTQLQIEISA-N 2 2 283.376 0.314 20 0 CCADLP CC(C)[C@H](C(=O)NC1C[NH+](CCCO)C1)[NH+]1CCCC1 ZINC001373491319 930216954 /nfs/dbraw/zinc/21/69/54/930216954.db2.gz ZRQIXQOMYUCWLM-CQSZACIVSA-N 2 2 283.416 0.290 20 0 CCADLP C[C@H](C[N@H+](C)CC(N)=O)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001445751795 930239473 /nfs/dbraw/zinc/23/94/73/930239473.db2.gz MZUUZHZSBWBNNT-GFCCVEGCSA-N 2 2 298.431 0.173 20 0 CCADLP C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001445751795 930239478 /nfs/dbraw/zinc/23/94/78/930239478.db2.gz MZUUZHZSBWBNNT-GFCCVEGCSA-N 2 2 298.431 0.173 20 0 CCADLP Cc1cncc(C[NH+]2CC(CNC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001373565831 930247396 /nfs/dbraw/zinc/24/73/96/930247396.db2.gz XPZVTJSUGITROP-UHFFFAOYSA-N 2 2 299.378 0.835 20 0 CCADLP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CC(=O)NC(C)C)C1)[NH+](C)C ZINC001373633598 930277888 /nfs/dbraw/zinc/27/78/88/930277888.db2.gz SPUHIWTVLGNHPF-CHWSQXEVSA-N 2 2 298.431 0.042 20 0 CCADLP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(C)C)C1)[NH+](C)C ZINC001373633598 930277899 /nfs/dbraw/zinc/27/78/99/930277899.db2.gz SPUHIWTVLGNHPF-CHWSQXEVSA-N 2 2 298.431 0.042 20 0 CCADLP Cc1nonc1C[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001446551319 930436279 /nfs/dbraw/zinc/43/62/79/930436279.db2.gz ATIAQOZHYWJHKZ-CQSZACIVSA-N 2 2 295.387 0.410 20 0 CCADLP Cc1nonc1C[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001446551319 930436283 /nfs/dbraw/zinc/43/62/83/930436283.db2.gz ATIAQOZHYWJHKZ-CQSZACIVSA-N 2 2 295.387 0.410 20 0 CCADLP CC[C@H](C[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1)OC ZINC001374327007 930486139 /nfs/dbraw/zinc/48/61/39/930486139.db2.gz BFNHILLJYDDONB-CHWSQXEVSA-N 2 2 282.388 0.745 20 0 CCADLP CO[C@@H](C)C[NH2+]C1(CNC(=O)Cc2[nH]c[nH+]c2C)CCC1 ZINC001447263630 930595715 /nfs/dbraw/zinc/59/57/15/930595715.db2.gz UCKXGKAFRDEDIN-NSHDSACASA-N 2 2 294.399 0.924 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[NH2+]Cc1ccccn1 ZINC001374840201 930685659 /nfs/dbraw/zinc/68/56/59/930685659.db2.gz MXOBLIBZQNLIEC-LLVKDONJSA-N 2 2 287.367 0.950 20 0 CCADLP Cc1noc(C[NH2+]C[C@H](C)NC(=O)C2CC[NH+](C)CC2)n1 ZINC001374931065 930729044 /nfs/dbraw/zinc/72/90/44/930729044.db2.gz NBJFGDJXLILRMP-JTQLQIEISA-N 2 2 295.387 0.314 20 0 CCADLP C[C@@H](C[NH2+]Cc1cncs1)NC(=O)Cc1c[nH+]cn1C ZINC001374961854 930735297 /nfs/dbraw/zinc/73/52/97/930735297.db2.gz MGZAJMGMOAGUTQ-JTQLQIEISA-N 2 2 293.396 0.714 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnns1)NC(=O)Cc1c[nH+]cn1C ZINC001374962876 930735329 /nfs/dbraw/zinc/73/53/29/930735329.db2.gz YGYQLANMMOWAPP-VIFPVBQESA-N 2 2 294.384 0.109 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@@H](C)[N@H+](C)CCO)c[nH+]1 ZINC001448040805 930796121 /nfs/dbraw/zinc/79/61/21/930796121.db2.gz VCFBNKJKMPFHAX-GFCCVEGCSA-N 2 2 282.388 0.355 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@@H](C)[N@@H+](C)CCO)c[nH+]1 ZINC001448040805 930796131 /nfs/dbraw/zinc/79/61/31/930796131.db2.gz VCFBNKJKMPFHAX-GFCCVEGCSA-N 2 2 282.388 0.355 20 0 CCADLP CC(C)[C@@H](C(=O)NC[C@H](C)[N@H+](C)CC(N)=O)[NH+]1CCCC1 ZINC001448147171 930833332 /nfs/dbraw/zinc/83/33/32/930833332.db2.gz VZQGRZSVTJPJMT-JSGCOSHPSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CC(N)=O)[NH+]1CCCC1 ZINC001448147171 930833343 /nfs/dbraw/zinc/83/33/43/930833343.db2.gz VZQGRZSVTJPJMT-JSGCOSHPSA-N 2 2 298.431 0.029 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001448177988 930846498 /nfs/dbraw/zinc/84/64/98/930846498.db2.gz YZZKMGPTEPOSAS-LBPRGKRZSA-N 2 2 271.405 0.146 20 0 CCADLP Cc1nn(C)cc1C[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001375340325 930858385 /nfs/dbraw/zinc/85/83/85/930858385.db2.gz LTDRLAHGHBSAJM-AWEZNQCLSA-N 2 2 293.415 0.371 20 0 CCADLP Cc1nn(C)cc1C[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001375340325 930858387 /nfs/dbraw/zinc/85/83/87/930858387.db2.gz LTDRLAHGHBSAJM-AWEZNQCLSA-N 2 2 293.415 0.371 20 0 CCADLP COCC[N@@H+]1CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001375378296 930868929 /nfs/dbraw/zinc/86/89/29/930868929.db2.gz FSOWMWBNQABJHN-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP COCC[N@H+]1CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001375378296 930868935 /nfs/dbraw/zinc/86/89/35/930868935.db2.gz FSOWMWBNQABJHN-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP O=C(NCC1([NH2+]CCF)CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001375440184 930888482 /nfs/dbraw/zinc/88/84/82/930888482.db2.gz RCZWEBVRSUHRJA-LLVKDONJSA-N 2 2 280.347 0.653 20 0 CCADLP C[C@H](CN(C)C(=O)CCc1[nH+]ccn1C)[NH2+]CCF ZINC001448712182 930955217 /nfs/dbraw/zinc/95/52/17/930955217.db2.gz MCNFBXYBSCQYCH-LLVKDONJSA-N 2 2 270.352 0.759 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001448783386 930979603 /nfs/dbraw/zinc/97/96/03/930979603.db2.gz LSKYRSXKXSTESY-CMPLNLGQSA-N 2 2 295.387 0.266 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001448783386 930979609 /nfs/dbraw/zinc/97/96/09/930979609.db2.gz LSKYRSXKXSTESY-CMPLNLGQSA-N 2 2 295.387 0.266 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@]1(C)CC[N@H+](CCO)C1 ZINC001375845166 930990466 /nfs/dbraw/zinc/99/04/66/930990466.db2.gz CLQMBWPIUWLZQI-FZMZJTMJSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@]1(C)CC[N@@H+](CCO)C1 ZINC001375845166 930990472 /nfs/dbraw/zinc/99/04/72/930990472.db2.gz CLQMBWPIUWLZQI-FZMZJTMJSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@]1(C)CC[N@H+](CCO)C1 ZINC001375845166 930990478 /nfs/dbraw/zinc/99/04/78/930990478.db2.gz CLQMBWPIUWLZQI-FZMZJTMJSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@]1(C)CC[N@@H+](CCO)C1 ZINC001375845166 930990483 /nfs/dbraw/zinc/99/04/83/930990483.db2.gz CLQMBWPIUWLZQI-FZMZJTMJSA-N 2 2 280.372 0.161 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccn(C)n2)C1 ZINC001376149549 931070779 /nfs/dbraw/zinc/07/07/79/931070779.db2.gz DJEKDSIBHHLTEC-ZDUSSCGKSA-N 2 2 293.415 0.452 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccn(C)n2)C1 ZINC001376149549 931070787 /nfs/dbraw/zinc/07/07/87/931070787.db2.gz DJEKDSIBHHLTEC-ZDUSSCGKSA-N 2 2 293.415 0.452 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC001376149549 931070792 /nfs/dbraw/zinc/07/07/92/931070792.db2.gz DJEKDSIBHHLTEC-ZDUSSCGKSA-N 2 2 293.415 0.452 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccn(C)n2)C1 ZINC001376149549 931070798 /nfs/dbraw/zinc/07/07/98/931070798.db2.gz DJEKDSIBHHLTEC-ZDUSSCGKSA-N 2 2 293.415 0.452 20 0 CCADLP C[NH+](C)CCC(=O)NC[C@@H]([NH2+]Cc1cnsn1)C1CC1 ZINC001376246573 931102271 /nfs/dbraw/zinc/10/22/71/931102271.db2.gz YPNOOXQMEPZPSK-GFCCVEGCSA-N 2 2 297.428 0.474 20 0 CCADLP CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001376650128 931200366 /nfs/dbraw/zinc/20/03/66/931200366.db2.gz WFIRQJFEXAEDFP-KGLIPLIRSA-N 2 2 285.432 0.800 20 0 CCADLP CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001376650128 931200378 /nfs/dbraw/zinc/20/03/78/931200378.db2.gz WFIRQJFEXAEDFP-KGLIPLIRSA-N 2 2 285.432 0.800 20 0 CCADLP CN(CCC[N@H+](C)CCF)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001376919102 931326109 /nfs/dbraw/zinc/32/61/09/931326109.db2.gz COVHERIDKJQKTK-GFCCVEGCSA-N 2 2 275.368 0.067 20 0 CCADLP CN(CCC[N@@H+](C)CCF)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001376919102 931326115 /nfs/dbraw/zinc/32/61/15/931326115.db2.gz COVHERIDKJQKTK-GFCCVEGCSA-N 2 2 275.368 0.067 20 0 CCADLP CN(CCC[NH+](C)CCF)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001376919102 931326118 /nfs/dbraw/zinc/32/61/18/931326118.db2.gz COVHERIDKJQKTK-GFCCVEGCSA-N 2 2 275.368 0.067 20 0 CCADLP CN(CCC[NH+](C)CCF)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001376919102 931326119 /nfs/dbraw/zinc/32/61/19/931326119.db2.gz COVHERIDKJQKTK-GFCCVEGCSA-N 2 2 275.368 0.067 20 0 CCADLP C[C@@H](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CCF ZINC001377047862 931367978 /nfs/dbraw/zinc/36/79/78/931367978.db2.gz LGJHLJISXYHVAI-NWDGAFQWSA-N 2 2 282.363 0.899 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124373158 187134710 /nfs/dbraw/zinc/13/47/10/187134710.db2.gz LTBHDPJFLBEDJM-JTQLQIEISA-N 2 2 267.333 0.049 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124373158 187134711 /nfs/dbraw/zinc/13/47/11/187134711.db2.gz LTBHDPJFLBEDJM-JTQLQIEISA-N 2 2 267.333 0.049 20 0 CCADLP C[C@H](CC(N)=O)[NH2+]C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000090914173 349444982 /nfs/dbraw/zinc/44/49/82/349444982.db2.gz GTYGYGWFKAWRLU-YUELXQCFSA-N 2 2 291.395 0.475 20 0 CCADLP C[C@H](CC(N)=O)[NH2+]C[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000090914173 349444985 /nfs/dbraw/zinc/44/49/85/349444985.db2.gz GTYGYGWFKAWRLU-YUELXQCFSA-N 2 2 291.395 0.475 20 0 CCADLP C[C@@H](CO)[N@@H+]1CCCN(CC[NH+]2CCO[C@H](C)C2)CC1 ZINC000337408200 214061185 /nfs/dbraw/zinc/06/11/85/214061185.db2.gz KFAPTHPVBGKQBB-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H](CO)[N@H+]1CCCN(CC[NH+]2CCO[C@H](C)C2)CC1 ZINC000337408200 214061189 /nfs/dbraw/zinc/06/11/89/214061189.db2.gz KFAPTHPVBGKQBB-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H](CO)[NH+]1CCCN(CC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000337408200 214061192 /nfs/dbraw/zinc/06/11/92/214061192.db2.gz KFAPTHPVBGKQBB-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H](CO)[NH+]1CCCN(CC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000337408200 214061195 /nfs/dbraw/zinc/06/11/95/214061195.db2.gz KFAPTHPVBGKQBB-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP O=C(C[C@@H]1CSCC[NH2+]1)NCCCCn1cc[nH+]c1 ZINC000091290711 349459565 /nfs/dbraw/zinc/45/95/65/349459565.db2.gz LLVWGRVLZQMZHR-GFCCVEGCSA-N 2 2 282.413 0.875 20 0 CCADLP C[C@@H](C(=O)NC[C@H]1CCCO1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124428528 187137201 /nfs/dbraw/zinc/13/72/01/187137201.db2.gz LBRBMTFCUXTGQH-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@@H](C(=O)NC[C@H]1CCCO1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124428528 187137202 /nfs/dbraw/zinc/13/72/02/187137202.db2.gz LBRBMTFCUXTGQH-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP CC(C)C[NH+]1CCN([C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000091506354 349465972 /nfs/dbraw/zinc/46/59/72/349465972.db2.gz SNXFHASQAIGOTP-HNNXBMFYSA-N 2 2 269.433 0.981 20 0 CCADLP [NH3+]C1CC[NH+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000092714160 349503536 /nfs/dbraw/zinc/50/35/36/349503536.db2.gz PUIQHPCIOIRJSS-ZIAGYGMSSA-N 2 2 281.400 0.580 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccnn3C)C2)CC1 ZINC000093133200 349526939 /nfs/dbraw/zinc/52/69/39/349526939.db2.gz UNBGOIUZTPOEQR-OAHLLOKOSA-N 2 2 277.416 0.632 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccnn3C)C2)CC1 ZINC000093133200 349526942 /nfs/dbraw/zinc/52/69/42/349526942.db2.gz UNBGOIUZTPOEQR-OAHLLOKOSA-N 2 2 277.416 0.632 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000093193735 349531192 /nfs/dbraw/zinc/53/11/92/349531192.db2.gz NNHFCVUIIMFETC-CYBMUJFWSA-N 3 2 291.399 0.363 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000093193735 349531196 /nfs/dbraw/zinc/53/11/96/349531196.db2.gz NNHFCVUIIMFETC-CYBMUJFWSA-N 3 2 291.399 0.363 20 0 CCADLP CCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H]1CC[N@H+](C)C1 ZINC000617550577 365670402 /nfs/dbraw/zinc/67/04/02/365670402.db2.gz YDTWPQQJBAHHJL-JSGCOSHPSA-N 2 2 276.384 0.998 20 0 CCADLP CCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H]1CC[N@@H+](C)C1 ZINC000617550577 365670406 /nfs/dbraw/zinc/67/04/06/365670406.db2.gz YDTWPQQJBAHHJL-JSGCOSHPSA-N 2 2 276.384 0.998 20 0 CCADLP CCN(C(=O)CCc1c[nH+]cn1C)[C@H]1CC[N@H+](C)C1 ZINC000617551541 365671355 /nfs/dbraw/zinc/67/13/55/365671355.db2.gz UFDKQVVICFYNIX-ZDUSSCGKSA-N 2 2 264.373 0.905 20 0 CCADLP CCN(C(=O)CCc1c[nH+]cn1C)[C@H]1CC[N@@H+](C)C1 ZINC000617551541 365671358 /nfs/dbraw/zinc/67/13/58/365671358.db2.gz UFDKQVVICFYNIX-ZDUSSCGKSA-N 2 2 264.373 0.905 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C[NH3+])C[C@@H](C)O1 ZINC000093873954 349555241 /nfs/dbraw/zinc/55/52/41/349555241.db2.gz ZYUQUZBJJCQOCS-VXGBXAGGSA-N 2 2 271.405 0.539 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C[NH3+])C[C@@H](C)O1 ZINC000093873954 349555242 /nfs/dbraw/zinc/55/52/42/349555242.db2.gz ZYUQUZBJJCQOCS-VXGBXAGGSA-N 2 2 271.405 0.539 20 0 CCADLP CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000094635458 349571087 /nfs/dbraw/zinc/57/10/87/349571087.db2.gz QGCGIEHBAACCMW-VXGBXAGGSA-N 2 2 271.386 0.829 20 0 CCADLP C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@H]1n1cc[nH+]c1 ZINC000125636434 187193856 /nfs/dbraw/zinc/19/38/56/187193856.db2.gz AEFRVQLUMVTROY-RDBSUJKOSA-N 2 2 292.383 0.623 20 0 CCADLP C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1n1cc[nH+]c1 ZINC000125636434 187193857 /nfs/dbraw/zinc/19/38/57/187193857.db2.gz AEFRVQLUMVTROY-RDBSUJKOSA-N 2 2 292.383 0.623 20 0 CCADLP CC[NH+](CC)CC(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000101531278 349663736 /nfs/dbraw/zinc/66/37/36/349663736.db2.gz YQDSDUBAXGFPFB-UHFFFAOYSA-N 2 2 297.403 0.824 20 0 CCADLP CC[C@@]1(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CCC[NH2+]1 ZINC000423766155 529519505 /nfs/dbraw/zinc/51/95/05/529519505.db2.gz XUFWUQPZQYUIEU-HIFRSBDPSA-N 2 2 281.400 0.498 20 0 CCADLP CC[C@@]1(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CCC[NH2+]1 ZINC000423766155 529519510 /nfs/dbraw/zinc/51/95/10/529519510.db2.gz XUFWUQPZQYUIEU-HIFRSBDPSA-N 2 2 281.400 0.498 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000493142580 529551527 /nfs/dbraw/zinc/55/15/27/529551527.db2.gz XDQTZMMNAIPIDP-ZYOFXKKJSA-N 2 2 277.372 0.018 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424478027 529575132 /nfs/dbraw/zinc/57/51/32/529575132.db2.gz MRZUNJWSZPFBNM-GHMZBOCLSA-N 2 2 265.361 0.972 20 0 CCADLP CC[C@H](C(N)=O)[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000104720403 349717975 /nfs/dbraw/zinc/71/79/75/349717975.db2.gz CIFJTRREVLLGHI-GFCCVEGCSA-N 2 2 278.356 0.476 20 0 CCADLP CN(Cc1ccco1)C(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107575532 349738518 /nfs/dbraw/zinc/73/85/18/349738518.db2.gz YNIZPMVURDQFJE-TXEJJXNPSA-N 2 2 263.341 0.389 20 0 CCADLP CN(Cc1ccco1)C(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107575532 349738520 /nfs/dbraw/zinc/73/85/20/349738520.db2.gz YNIZPMVURDQFJE-TXEJJXNPSA-N 2 2 263.341 0.389 20 0 CCADLP Cc1csc2nc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)cc(=O)n12 ZINC000107855496 349741606 /nfs/dbraw/zinc/74/16/06/349741606.db2.gz PMVUENNUVTTZBN-QWRGUYRKSA-N 2 2 290.392 0.716 20 0 CCADLP COC(=O)C[C@@H](C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000151267843 290656810 /nfs/dbraw/zinc/65/68/10/290656810.db2.gz WABMISQLGHVELZ-GFCCVEGCSA-N 2 2 299.415 0.328 20 0 CCADLP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccn(C)n1 ZINC000358253952 529622261 /nfs/dbraw/zinc/62/22/61/529622261.db2.gz PHSLJXWJNCBTQN-WCQYABFASA-N 2 2 252.362 0.527 20 0 CCADLP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccn(C)n1 ZINC000358253952 529622262 /nfs/dbraw/zinc/62/22/62/529622262.db2.gz PHSLJXWJNCBTQN-WCQYABFASA-N 2 2 252.362 0.527 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCN(c2ncc(F)cn2)CC1 ZINC000273782394 282206992 /nfs/dbraw/zinc/20/69/92/282206992.db2.gz XHOZGIIAJISXPZ-UHFFFAOYSA-N 2 2 290.346 0.943 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000270854933 282207579 /nfs/dbraw/zinc/20/75/79/282207579.db2.gz IXYSGZADKOYANP-ZDUSSCGKSA-N 2 2 262.357 0.888 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000270854933 282207580 /nfs/dbraw/zinc/20/75/80/282207580.db2.gz IXYSGZADKOYANP-ZDUSSCGKSA-N 2 2 262.357 0.888 20 0 CCADLP COC(=O)CCCC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000600705933 362037787 /nfs/dbraw/zinc/03/77/87/362037787.db2.gz BQIKTXLPLFHWHV-ZDUSSCGKSA-N 2 2 297.399 0.226 20 0 CCADLP COC(=O)CCCC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000600705933 362037791 /nfs/dbraw/zinc/03/77/91/362037791.db2.gz BQIKTXLPLFHWHV-ZDUSSCGKSA-N 2 2 297.399 0.226 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)CO1 ZINC000617723669 365729333 /nfs/dbraw/zinc/72/93/33/365729333.db2.gz PRWAJKITPWVZPD-JHJVBQTASA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)CO1 ZINC000617723669 365729338 /nfs/dbraw/zinc/72/93/38/365729338.db2.gz PRWAJKITPWVZPD-JHJVBQTASA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C)CO1 ZINC000617723669 365729344 /nfs/dbraw/zinc/72/93/44/365729344.db2.gz PRWAJKITPWVZPD-JHJVBQTASA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](C)CO1 ZINC000617723669 365729350 /nfs/dbraw/zinc/72/93/50/365729350.db2.gz PRWAJKITPWVZPD-JHJVBQTASA-N 2 2 269.389 0.164 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C)[NH+](C)C ZINC000617730167 365739990 /nfs/dbraw/zinc/73/99/90/365739990.db2.gz KAOVTCQLXSVDHI-IHRRRGAJSA-N 2 2 285.432 0.798 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C)[NH+](C)C ZINC000617730167 365739997 /nfs/dbraw/zinc/73/99/97/365739997.db2.gz KAOVTCQLXSVDHI-IHRRRGAJSA-N 2 2 285.432 0.798 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617732401 365744022 /nfs/dbraw/zinc/74/40/22/365744022.db2.gz FDCGOXVAUJKSJO-QWHCGFSZSA-N 2 2 271.405 0.554 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617732401 365744026 /nfs/dbraw/zinc/74/40/26/365744026.db2.gz FDCGOXVAUJKSJO-QWHCGFSZSA-N 2 2 271.405 0.554 20 0 CCADLP CC(C)OC(=O)CC[NH+]1CCC([NH2+]CCO)CC1 ZINC000601328756 362225356 /nfs/dbraw/zinc/22/53/56/362225356.db2.gz YCDQVWVPECFETA-UHFFFAOYSA-N 2 2 258.362 0.374 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601333134 362230098 /nfs/dbraw/zinc/23/00/98/362230098.db2.gz AYYXDLLMMXDESQ-NEPJUHHUSA-N 2 2 282.388 0.296 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601333134 362230106 /nfs/dbraw/zinc/23/01/06/362230106.db2.gz AYYXDLLMMXDESQ-NEPJUHHUSA-N 2 2 282.388 0.296 20 0 CCADLP CC(C)[C@@H](CNC(=O)C[NH2+]C1CC1)[NH+]1CCOCC1 ZINC000154621520 290689833 /nfs/dbraw/zinc/68/98/33/290689833.db2.gz FCTKEQBADCQESR-CYBMUJFWSA-N 2 2 269.389 0.211 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000113512267 349813971 /nfs/dbraw/zinc/81/39/71/349813971.db2.gz PBZZJMQTOABHOM-NSHDSACASA-N 2 2 282.388 0.200 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000113512267 349813975 /nfs/dbraw/zinc/81/39/75/349813975.db2.gz PBZZJMQTOABHOM-NSHDSACASA-N 2 2 282.388 0.200 20 0 CCADLP Cc1nnc(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)s1 ZINC000617762246 365764710 /nfs/dbraw/zinc/76/47/10/365764710.db2.gz KQJYYMUXOMYFSY-UHFFFAOYSA-N 2 2 299.444 0.389 20 0 CCADLP Cc1nnc(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)s1 ZINC000617762246 365764714 /nfs/dbraw/zinc/76/47/14/365764714.db2.gz KQJYYMUXOMYFSY-UHFFFAOYSA-N 2 2 299.444 0.389 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113515442 349815740 /nfs/dbraw/zinc/81/57/40/349815740.db2.gz BYOIEBCUOCYZQX-NSHDSACASA-N 2 2 270.377 0.106 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113515442 349815742 /nfs/dbraw/zinc/81/57/42/349815742.db2.gz BYOIEBCUOCYZQX-NSHDSACASA-N 2 2 270.377 0.106 20 0 CCADLP CC(=O)C1(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000617763332 365766655 /nfs/dbraw/zinc/76/66/55/365766655.db2.gz NQNWVHRAAJPGQF-UHFFFAOYSA-N 2 2 269.389 0.355 20 0 CCADLP CC(=O)C1(C(=O)NCC[N@H+](C)CCC[NH+](C)C)CC1 ZINC000617763332 365766659 /nfs/dbraw/zinc/76/66/59/365766659.db2.gz NQNWVHRAAJPGQF-UHFFFAOYSA-N 2 2 269.389 0.355 20 0 CCADLP COC1(C(=O)NCC[N@H+](C)CCC[NH+](C)C)CCC1 ZINC000617764952 365768675 /nfs/dbraw/zinc/76/86/75/365768675.db2.gz NQGLTZZPWOEZMD-UHFFFAOYSA-N 2 2 271.405 0.555 20 0 CCADLP COC1(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCC1 ZINC000617764952 365768680 /nfs/dbraw/zinc/76/86/80/365768680.db2.gz NQGLTZZPWOEZMD-UHFFFAOYSA-N 2 2 271.405 0.555 20 0 CCADLP C[C@H]1C(=O)CC[C@H]1CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764185 365769316 /nfs/dbraw/zinc/76/93/16/365769316.db2.gz MAUHFSNNCZVBAW-KGLIPLIRSA-N 2 2 297.443 0.991 20 0 CCADLP C[C@H]1C(=O)CC[C@H]1CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764185 365769323 /nfs/dbraw/zinc/76/93/23/365769323.db2.gz MAUHFSNNCZVBAW-KGLIPLIRSA-N 2 2 297.443 0.991 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CC[C@H]1CCCO1 ZINC000617767958 365772596 /nfs/dbraw/zinc/77/25/96/365772596.db2.gz JQHWSLCOFNZIBR-CQSZACIVSA-N 2 2 285.432 0.945 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CC[C@H]1CCCO1 ZINC000617767958 365772604 /nfs/dbraw/zinc/77/26/04/365772604.db2.gz JQHWSLCOFNZIBR-CQSZACIVSA-N 2 2 285.432 0.945 20 0 CCADLP CC1CC[NH+](CC(=O)NCC[N@H+](C)CCC[NH+](C)C)CC1 ZINC000617765781 365771026 /nfs/dbraw/zinc/77/10/26/365771026.db2.gz PPNUCBPAIKNLIS-UHFFFAOYSA-N 3 2 298.475 0.718 20 0 CCADLP CC1CC[NH+](CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000617765781 365771031 /nfs/dbraw/zinc/77/10/31/365771031.db2.gz PPNUCBPAIKNLIS-UHFFFAOYSA-N 3 2 298.475 0.718 20 0 CCADLP CN1CC[NH2+]C[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000449702463 529780219 /nfs/dbraw/zinc/78/02/19/529780219.db2.gz UUNZODUWMKIPKQ-HNNXBMFYSA-N 2 2 299.378 0.506 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(c3cc[nH+]c(N4CCOCC4)n3)C[C@@H]21 ZINC000450780445 529798505 /nfs/dbraw/zinc/79/85/05/529798505.db2.gz QONOLPAPSWGNDL-OLZOCXBDSA-N 2 2 289.383 0.454 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(c3cc[nH+]c(N4CCOCC4)n3)C[C@@H]21 ZINC000450780445 529798507 /nfs/dbraw/zinc/79/85/07/529798507.db2.gz QONOLPAPSWGNDL-OLZOCXBDSA-N 2 2 289.383 0.454 20 0 CCADLP COC[C@@H](O)C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000338792157 214776695 /nfs/dbraw/zinc/77/66/95/214776695.db2.gz MDELISXYAUCJJP-HNNXBMFYSA-N 2 2 279.384 0.643 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)n1C ZINC000425355381 529808435 /nfs/dbraw/zinc/80/84/35/529808435.db2.gz ONCNZLVDCCGFLO-DRZSPHRISA-N 2 2 264.373 0.689 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)n1C ZINC000425355381 529808436 /nfs/dbraw/zinc/80/84/36/529808436.db2.gz ONCNZLVDCCGFLO-DRZSPHRISA-N 2 2 264.373 0.689 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CC2(CC(N)=O)CC2)n1C ZINC000425340890 529809210 /nfs/dbraw/zinc/80/92/10/529809210.db2.gz BTYKUQOAINJGID-UHFFFAOYSA-N 2 2 265.361 0.231 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]Cc2ncccc2O)n1C ZINC000425335990 529810074 /nfs/dbraw/zinc/81/00/74/529810074.db2.gz JPLYEXGDQCQGKM-UHFFFAOYSA-N 2 2 261.329 0.877 20 0 CCADLP CN(C)c1[nH+]cccc1O[C@@H]1CCN(C(=O)C[NH3+])C1 ZINC000423933468 529814976 /nfs/dbraw/zinc/81/49/76/529814976.db2.gz VXMPZQCHIJIEDW-SNVBAGLBSA-N 2 2 264.329 0.086 20 0 CCADLP CNc1nc(NC[C@](C)(O)C[NH+](C)C)[nH+]c2ccccc21 ZINC000450407752 529834016 /nfs/dbraw/zinc/83/40/16/529834016.db2.gz RRZPKMHRUDQNKK-HNNXBMFYSA-N 2 2 289.383 0.240 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418404116 529911122 /nfs/dbraw/zinc/91/11/22/529911122.db2.gz JBVWCMDFYCBHNF-KGLIPLIRSA-N 2 2 298.431 0.478 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@H](O)CC1CCCC1 ZINC000300073020 260210777 /nfs/dbraw/zinc/21/07/77/260210777.db2.gz ZCEHKUKRQRGVHC-HUUCEWRRSA-N 2 2 269.433 0.763 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@H](O)CC1CCCC1 ZINC000300073020 260210779 /nfs/dbraw/zinc/21/07/79/260210779.db2.gz ZCEHKUKRQRGVHC-HUUCEWRRSA-N 2 2 269.433 0.763 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@H](CO)[C@@H]2CCCO2)n1C ZINC000425337052 282320708 /nfs/dbraw/zinc/32/07/08/282320708.db2.gz MJOIJMDTGTWVDO-NEPJUHHUSA-N 2 2 268.361 0.116 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000417520277 290715384 /nfs/dbraw/zinc/71/53/84/290715384.db2.gz NNWRSJBKNQJBHF-XQQFMLRXSA-N 2 2 286.420 0.250 20 0 CCADLP C[NH2+]CCNC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000418326929 529975997 /nfs/dbraw/zinc/97/59/97/529975997.db2.gz LSXSWILKWMLFPJ-UHFFFAOYSA-N 2 2 277.372 0.441 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000418379925 529995641 /nfs/dbraw/zinc/99/56/41/529995641.db2.gz GZGWZFYZMUMQJA-ZDUSSCGKSA-N 2 2 294.399 0.962 20 0 CCADLP C[C@@H]1C[C@H]1N1C[C@H]([NH2+][C@H]2C[N@H+](C)C[C@H]2C)CC1=O ZINC000358180065 232059165 /nfs/dbraw/zinc/05/91/65/232059165.db2.gz SHSRLPJYFOLSIZ-NJMOYASZSA-N 2 2 251.374 0.535 20 0 CCADLP C[C@@H]1C[C@H]1N1C[C@H]([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CC1=O ZINC000358180065 232059169 /nfs/dbraw/zinc/05/91/69/232059169.db2.gz SHSRLPJYFOLSIZ-NJMOYASZSA-N 2 2 251.374 0.535 20 0 CCADLP CC[C@H](C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000655244071 412517849 /nfs/dbraw/zinc/51/78/49/412517849.db2.gz MIWORKJFRHYISW-IGQOVBAYSA-N 2 2 285.432 0.941 20 0 CCADLP CC[C@H](C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000655244071 412517853 /nfs/dbraw/zinc/51/78/53/412517853.db2.gz MIWORKJFRHYISW-IGQOVBAYSA-N 2 2 285.432 0.941 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000178860685 290737224 /nfs/dbraw/zinc/73/72/24/290737224.db2.gz ZKHNFNCNIZLMJO-IHRRRGAJSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCNC(=O)C1CCC1 ZINC000358408118 232098123 /nfs/dbraw/zinc/09/81/23/232098123.db2.gz VBDLQZQLTOSIRU-AAEUAGOBSA-N 2 2 253.390 0.833 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCNC(=O)C1CCC1 ZINC000358408118 232098127 /nfs/dbraw/zinc/09/81/27/232098127.db2.gz VBDLQZQLTOSIRU-AAEUAGOBSA-N 2 2 253.390 0.833 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000602515365 362652182 /nfs/dbraw/zinc/65/21/82/362652182.db2.gz WSWNHDNBJUMHQP-VXGBXAGGSA-N 2 2 285.388 0.080 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000602515365 362652186 /nfs/dbraw/zinc/65/21/86/362652186.db2.gz WSWNHDNBJUMHQP-VXGBXAGGSA-N 2 2 285.388 0.080 20 0 CCADLP FC1(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)CC1 ZINC000684378844 545659722 /nfs/dbraw/zinc/65/97/22/545659722.db2.gz SNXZKLRANWRZMY-CYBMUJFWSA-N 2 2 271.380 0.485 20 0 CCADLP Cc1ccc(NCCCNC(=O)[C@H]2C[N@H+](C)CCO2)[nH+]c1 ZINC000085383769 179045630 /nfs/dbraw/zinc/04/56/30/179045630.db2.gz ANFNBLPPNSRVDH-CYBMUJFWSA-N 2 2 292.383 0.639 20 0 CCADLP Cc1ccc(NCCCNC(=O)[C@H]2C[N@@H+](C)CCO2)[nH+]c1 ZINC000085383769 179045631 /nfs/dbraw/zinc/04/56/31/179045631.db2.gz ANFNBLPPNSRVDH-CYBMUJFWSA-N 2 2 292.383 0.639 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000618189751 365919748 /nfs/dbraw/zinc/91/97/48/365919748.db2.gz UXDWBJQSRQWVCQ-LBPRGKRZSA-N 2 2 262.357 0.466 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)on1 ZINC000261576491 137009886 /nfs/dbraw/zinc/00/98/86/137009886.db2.gz CEMMTNLFBLQYRN-HBNTYKKESA-N 2 2 264.329 0.591 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)on1 ZINC000261576491 137009887 /nfs/dbraw/zinc/00/98/87/137009887.db2.gz CEMMTNLFBLQYRN-HBNTYKKESA-N 2 2 264.329 0.591 20 0 CCADLP O=c1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)nc2ccccn12 ZINC000261595924 137011313 /nfs/dbraw/zinc/01/13/13/137011313.db2.gz AABORFKWNGKMSK-QWHCGFSZSA-N 2 2 284.363 0.736 20 0 CCADLP O=c1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)nc2ccccn12 ZINC000261595924 137011314 /nfs/dbraw/zinc/01/13/14/137011314.db2.gz AABORFKWNGKMSK-QWHCGFSZSA-N 2 2 284.363 0.736 20 0 CCADLP COc1c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(C)nn1C ZINC000261604475 137011854 /nfs/dbraw/zinc/01/18/54/137011854.db2.gz RCZHJDGTDONDFD-VXGBXAGGSA-N 2 2 264.373 0.778 20 0 CCADLP COc1c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(C)nn1C ZINC000261604475 137011855 /nfs/dbraw/zinc/01/18/55/137011855.db2.gz RCZHJDGTDONDFD-VXGBXAGGSA-N 2 2 264.373 0.778 20 0 CCADLP C[NH+]1CCC(CNC2=[NH+]CCCN2)([NH+]2CCCCC2)CC1 ZINC000262677607 137050038 /nfs/dbraw/zinc/05/00/38/137050038.db2.gz RPKRCWCKDHONID-UHFFFAOYSA-N 3 2 293.459 0.876 20 0 CCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263062633 137057815 /nfs/dbraw/zinc/05/78/15/137057815.db2.gz VMSDYPZXGWZDMZ-GHMZBOCLSA-N 2 2 275.343 0.832 20 0 CCADLP C[C@]1(CN2CC[NH+](CC(=O)N3CCCC3)CC2)CC[NH2+]C1 ZINC000261693648 137016131 /nfs/dbraw/zinc/01/61/31/137016131.db2.gz BPZYFCJNMCIRAR-INIZCTEOSA-N 2 2 294.443 0.226 20 0 CCADLP O=c1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)nc2ccccn12 ZINC000261752024 137018412 /nfs/dbraw/zinc/01/84/12/137018412.db2.gz TZRXPNCVOWSMGU-JSGCOSHPSA-N 2 2 284.363 0.878 20 0 CCADLP O=c1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)nc2ccccn12 ZINC000261752024 137018413 /nfs/dbraw/zinc/01/84/13/137018413.db2.gz TZRXPNCVOWSMGU-JSGCOSHPSA-N 2 2 284.363 0.878 20 0 CCADLP CC(C)N(C(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)C(C)C ZINC000261765026 137018789 /nfs/dbraw/zinc/01/87/89/137018789.db2.gz VIECYYWVPONNCO-OAHLLOKOSA-N 2 2 296.459 0.611 20 0 CCADLP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)O1 ZINC000261869867 137023196 /nfs/dbraw/zinc/02/31/96/137023196.db2.gz SVTMODIEDNWCKJ-TUAOUCFPSA-N 2 2 278.356 0.622 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000618191634 365923067 /nfs/dbraw/zinc/92/30/67/365923067.db2.gz MDKLXDOTQLKHAA-LBPRGKRZSA-N 2 2 262.357 0.466 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000262310466 137036697 /nfs/dbraw/zinc/03/66/97/137036697.db2.gz QJAQMRJBHXJQPP-YPMHNXCESA-N 2 2 280.372 0.532 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000269978462 137069227 /nfs/dbraw/zinc/06/92/27/137069227.db2.gz WGUIYQAKNARLOS-QWHCGFSZSA-N 2 2 274.368 0.871 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000269978462 137069228 /nfs/dbraw/zinc/06/92/28/137069228.db2.gz WGUIYQAKNARLOS-QWHCGFSZSA-N 2 2 274.368 0.871 20 0 CCADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cnn(C)c1 ZINC000310744251 137072685 /nfs/dbraw/zinc/07/26/85/137072685.db2.gz IHHFLKHCFGMWEM-WCQYABFASA-N 2 2 252.362 0.527 20 0 CCADLP CCOc1ccccc1OCC[N@H+](CC[NH3+])CCO ZINC000342433399 137094073 /nfs/dbraw/zinc/09/40/73/137094073.db2.gz ZKXBXTYVAWEOOQ-UHFFFAOYSA-N 2 2 268.357 0.717 20 0 CCADLP CCOc1ccccc1OCC[N@@H+](CC[NH3+])CCO ZINC000342433399 137094074 /nfs/dbraw/zinc/09/40/74/137094074.db2.gz ZKXBXTYVAWEOOQ-UHFFFAOYSA-N 2 2 268.357 0.717 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH+](C)C ZINC000343179411 137119464 /nfs/dbraw/zinc/11/94/64/137119464.db2.gz ZLJYSOAUOSXDIJ-QWRGUYRKSA-N 2 2 250.346 0.512 20 0 CCADLP CN(CCC[N@H+](C)Cc1ncc[nH]1)CC[NH+](C)C ZINC000344013856 137173199 /nfs/dbraw/zinc/17/31/99/137173199.db2.gz CTTIGPGSDCGRHY-UHFFFAOYSA-N 2 2 253.394 0.725 20 0 CCADLP CN(CCC[N@@H+](C)Cc1ncc[nH]1)CC[NH+](C)C ZINC000344013856 137173200 /nfs/dbraw/zinc/17/32/00/137173200.db2.gz CTTIGPGSDCGRHY-UHFFFAOYSA-N 2 2 253.394 0.725 20 0 CCADLP CCN(CC)S(=O)(=O)CC[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000344228118 137184652 /nfs/dbraw/zinc/18/46/52/137184652.db2.gz WIQJSEDEJJOZGR-CHWSQXEVSA-N 2 2 291.461 0.588 20 0 CCADLP CCN(CC)S(=O)(=O)CC[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000344228118 137184653 /nfs/dbraw/zinc/18/46/53/137184653.db2.gz WIQJSEDEJJOZGR-CHWSQXEVSA-N 2 2 291.461 0.588 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000344223257 137184700 /nfs/dbraw/zinc/18/47/00/137184700.db2.gz ZUULNKNKBGDLFQ-ZNMIVQPWSA-N 3 2 268.449 0.552 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000344223257 137184701 /nfs/dbraw/zinc/18/47/01/137184701.db2.gz ZUULNKNKBGDLFQ-ZNMIVQPWSA-N 3 2 268.449 0.552 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000333473881 288523412 /nfs/dbraw/zinc/52/34/12/288523412.db2.gz BEUFEZPVHJJLKE-MGPQQGTHSA-N 2 2 296.415 0.243 20 0 CCADLP C[C@@H]1OCC[NH2+][C@H]1C(=O)NCCCCNc1cccc[nH+]1 ZINC000344436669 137194504 /nfs/dbraw/zinc/19/45/04/137194504.db2.gz HQMOVYFCKVGCLO-GXTWGEPZSA-N 2 2 292.383 0.767 20 0 CCADLP C[NH+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000015258555 348039167 /nfs/dbraw/zinc/03/91/67/348039167.db2.gz DEQCKLHSJVNTLK-UHFFFAOYSA-N 2 2 291.395 0.697 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@](C)(O)C2CC2)CC1 ZINC000339377812 215134073 /nfs/dbraw/zinc/13/40/73/215134073.db2.gz MVZSWBAMUNRQBI-INIZCTEOSA-N 2 2 297.443 0.680 20 0 CCADLP CC[C@@H](C)[C@H](NC(=O)C[N@H+](C)C1CC[NH2+]CC1)C(=O)OC ZINC000036300988 348165823 /nfs/dbraw/zinc/16/58/23/348165823.db2.gz RLKDMHUWXCIONF-RISCZKNCSA-N 2 2 299.415 0.374 20 0 CCADLP CC[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C1CC[NH2+]CC1)C(=O)OC ZINC000036300988 348165826 /nfs/dbraw/zinc/16/58/26/348165826.db2.gz RLKDMHUWXCIONF-RISCZKNCSA-N 2 2 299.415 0.374 20 0 CCADLP C[C@@H](CNC(=O)[C@H]([NH3+])CC(F)F)Cn1cc[nH+]c1 ZINC000345688517 137245947 /nfs/dbraw/zinc/24/59/47/137245947.db2.gz IVBPUGMKTCRHPG-DTWKUNHWSA-N 2 2 260.288 0.618 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000346681942 137298885 /nfs/dbraw/zinc/29/88/85/137298885.db2.gz OSWPJTZVFBNVHF-CABCVRRESA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000346681942 137298886 /nfs/dbraw/zinc/29/88/86/137298886.db2.gz OSWPJTZVFBNVHF-CABCVRRESA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(C(=O)N(C)C)[nH]2)C1 ZINC000346691990 137299323 /nfs/dbraw/zinc/29/93/23/137299323.db2.gz XHISCKKFRSPYLE-GHMZBOCLSA-N 2 2 264.373 0.886 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(C(=O)N(C)C)[nH]2)C1 ZINC000346691990 137299324 /nfs/dbraw/zinc/29/93/24/137299324.db2.gz XHISCKKFRSPYLE-GHMZBOCLSA-N 2 2 264.373 0.886 20 0 CCADLP C[N@H+](CCOCC(F)F)C1CC[NH+](CCO)CC1 ZINC000346245354 137274939 /nfs/dbraw/zinc/27/49/39/137274939.db2.gz SPVVPDOEIBCDMI-UHFFFAOYSA-N 2 2 266.332 0.657 20 0 CCADLP C[N@@H+](CCOCC(F)F)C1CC[NH+](CCO)CC1 ZINC000346245354 137274940 /nfs/dbraw/zinc/27/49/40/137274940.db2.gz SPVVPDOEIBCDMI-UHFFFAOYSA-N 2 2 266.332 0.657 20 0 CCADLP C[N@H+](CCO)C1CC[NH+](CCOC2CCC2)CC1 ZINC000347040417 137316911 /nfs/dbraw/zinc/31/69/11/137316911.db2.gz AOJUKXTZRVCHAF-UHFFFAOYSA-N 2 2 256.390 0.944 20 0 CCADLP C[N@@H+](CCO)C1CC[NH+](CCOC2CCC2)CC1 ZINC000347040417 137316912 /nfs/dbraw/zinc/31/69/12/137316912.db2.gz AOJUKXTZRVCHAF-UHFFFAOYSA-N 2 2 256.390 0.944 20 0 CCADLP Cc1[nH]ncc1C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000347196111 137324581 /nfs/dbraw/zinc/32/45/81/137324581.db2.gz HSIRQFAXMOOHHB-ZDUSSCGKSA-N 2 2 291.399 0.362 20 0 CCADLP Cc1[nH]ncc1C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000347196111 137324582 /nfs/dbraw/zinc/32/45/82/137324582.db2.gz HSIRQFAXMOOHHB-ZDUSSCGKSA-N 2 2 291.399 0.362 20 0 CCADLP C[NH+]1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000339487195 215202526 /nfs/dbraw/zinc/20/25/26/215202526.db2.gz JNBYKZHUVCVKCL-UHFFFAOYSA-N 2 2 284.404 0.054 20 0 CCADLP C[C@H](Cn1cccn1)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000347357533 137332864 /nfs/dbraw/zinc/33/28/64/137332864.db2.gz MKDZPGDMYYCPJI-CHWSQXEVSA-N 2 2 279.388 0.201 20 0 CCADLP C[C@H](Cn1cccn1)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000347357533 137332865 /nfs/dbraw/zinc/33/28/65/137332865.db2.gz MKDZPGDMYYCPJI-CHWSQXEVSA-N 2 2 279.388 0.201 20 0 CCADLP COC1CC([NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000347377813 137333786 /nfs/dbraw/zinc/33/37/86/137333786.db2.gz ULJWPYAAJRWBLV-JXQTWKCFSA-N 2 2 283.416 0.696 20 0 CCADLP COC1CC([NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000347377813 137333787 /nfs/dbraw/zinc/33/37/87/137333787.db2.gz ULJWPYAAJRWBLV-JXQTWKCFSA-N 2 2 283.416 0.696 20 0 CCADLP C[N@H+](CC1(O)CCCC1)C1CC[NH+](CCO)CC1 ZINC000349033087 137384563 /nfs/dbraw/zinc/38/45/63/137384563.db2.gz GONLVYLCYNARRJ-UHFFFAOYSA-N 2 2 256.390 0.680 20 0 CCADLP C[N@@H+](CC1(O)CCCC1)C1CC[NH+](CCO)CC1 ZINC000349033087 137384564 /nfs/dbraw/zinc/38/45/64/137384564.db2.gz GONLVYLCYNARRJ-UHFFFAOYSA-N 2 2 256.390 0.680 20 0 CCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccon1 ZINC000349246020 137390599 /nfs/dbraw/zinc/39/05/99/137390599.db2.gz SHCDFJZNVDXTNS-SNVBAGLBSA-N 2 2 252.318 0.099 20 0 CCADLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccn(C)n1 ZINC000349461194 137394076 /nfs/dbraw/zinc/39/40/76/137394076.db2.gz QUDQPPUZYNRLPU-JSGCOSHPSA-N 2 2 293.415 0.801 20 0 CCADLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccn(C)n1 ZINC000349461194 137394077 /nfs/dbraw/zinc/39/40/77/137394077.db2.gz QUDQPPUZYNRLPU-JSGCOSHPSA-N 2 2 293.415 0.801 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC000349643174 137398142 /nfs/dbraw/zinc/39/81/42/137398142.db2.gz HOZUIPAIQSPGLQ-CYBMUJFWSA-N 2 2 299.415 0.422 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC000349643174 137398143 /nfs/dbraw/zinc/39/81/43/137398143.db2.gz HOZUIPAIQSPGLQ-CYBMUJFWSA-N 2 2 299.415 0.422 20 0 CCADLP COC(=O)CC[NH+]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC000349643174 137398144 /nfs/dbraw/zinc/39/81/44/137398144.db2.gz HOZUIPAIQSPGLQ-CYBMUJFWSA-N 2 2 299.415 0.422 20 0 CCADLP COC(=O)CC[NH+]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC000349643174 137398145 /nfs/dbraw/zinc/39/81/45/137398145.db2.gz HOZUIPAIQSPGLQ-CYBMUJFWSA-N 2 2 299.415 0.422 20 0 CCADLP C[C@H]1C[N@H+](C)CCN1C(=O)CCCC[NH+]1CCOCC1 ZINC000347727411 137352912 /nfs/dbraw/zinc/35/29/12/137352912.db2.gz UFTGHDRBIBFHSR-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)CCCC[NH+]1CCOCC1 ZINC000347727411 137352913 /nfs/dbraw/zinc/35/29/13/137352913.db2.gz UFTGHDRBIBFHSR-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000347773890 137356204 /nfs/dbraw/zinc/35/62/04/137356204.db2.gz GESQKPPKJKNTHP-CYBMUJFWSA-N 2 2 291.395 0.986 20 0 CCADLP CC(C)c1nc(NC[C@@H]2CC[N@H+](C)C2)nc(N(C)C)[nH+]1 ZINC000347874671 137362006 /nfs/dbraw/zinc/36/20/06/137362006.db2.gz LDOCNORBJFZUDI-NSHDSACASA-N 2 2 278.404 0.847 20 0 CCADLP CC(C)c1nc(NC[C@@H]2CC[N@@H+](C)C2)nc(N(C)C)[nH+]1 ZINC000347874671 137362007 /nfs/dbraw/zinc/36/20/07/137362007.db2.gz LDOCNORBJFZUDI-NSHDSACASA-N 2 2 278.404 0.847 20 0 CCADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CS(=O)(=O)CCO1 ZINC000348136503 137374087 /nfs/dbraw/zinc/37/40/87/137374087.db2.gz NZRXCDCNSZJIFM-CQSZACIVSA-N 2 2 298.408 0.726 20 0 CCADLP O=C1OCC[C@H]1CC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000120573766 349993929 /nfs/dbraw/zinc/99/39/29/349993929.db2.gz HHNWRLSONPFFKZ-HUUCEWRRSA-N 2 2 296.411 0.984 20 0 CCADLP O=C1OCC[C@H]1CC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000120573766 349993931 /nfs/dbraw/zinc/99/39/31/349993931.db2.gz HHNWRLSONPFFKZ-HUUCEWRRSA-N 2 2 296.411 0.984 20 0 CCADLP C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)[C@@H]1C[N@H+](C)CCO1 ZINC000684464097 545676867 /nfs/dbraw/zinc/67/68/67/545676867.db2.gz PBDLVBNDTIURLE-PWSUYJOCSA-N 2 2 266.345 0.178 20 0 CCADLP C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000684464097 545676874 /nfs/dbraw/zinc/67/68/74/545676874.db2.gz PBDLVBNDTIURLE-PWSUYJOCSA-N 2 2 266.345 0.178 20 0 CCADLP C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)[C@@H]1C[N@H+](C)CCO1 ZINC000684464097 545676879 /nfs/dbraw/zinc/67/68/79/545676879.db2.gz PBDLVBNDTIURLE-PWSUYJOCSA-N 2 2 266.345 0.178 20 0 CCADLP C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000684464097 545676885 /nfs/dbraw/zinc/67/68/85/545676885.db2.gz PBDLVBNDTIURLE-PWSUYJOCSA-N 2 2 266.345 0.178 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc[nH]n1 ZINC000058970403 348636030 /nfs/dbraw/zinc/63/60/30/348636030.db2.gz QNQIYUGAPBPUJW-UHFFFAOYSA-N 2 2 279.388 0.508 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc[nH]n1 ZINC000058970403 348636034 /nfs/dbraw/zinc/63/60/34/348636034.db2.gz QNQIYUGAPBPUJW-UHFFFAOYSA-N 2 2 279.388 0.508 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccn[nH]1 ZINC000058970403 348636036 /nfs/dbraw/zinc/63/60/36/348636036.db2.gz QNQIYUGAPBPUJW-UHFFFAOYSA-N 2 2 279.388 0.508 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccn[nH]1 ZINC000058970403 348636040 /nfs/dbraw/zinc/63/60/40/348636040.db2.gz QNQIYUGAPBPUJW-UHFFFAOYSA-N 2 2 279.388 0.508 20 0 CCADLP CC(C)c1noc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)n1 ZINC000063180416 348681238 /nfs/dbraw/zinc/68/12/38/348681238.db2.gz WYULLRZIURPFNB-LLVKDONJSA-N 2 2 295.387 0.480 20 0 CCADLP CC(C)c1noc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)n1 ZINC000063180416 348681242 /nfs/dbraw/zinc/68/12/42/348681242.db2.gz WYULLRZIURPFNB-LLVKDONJSA-N 2 2 295.387 0.480 20 0 CCADLP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000068802065 348822726 /nfs/dbraw/zinc/82/27/26/348822726.db2.gz RALONIXXXBSIIW-GXTWGEPZSA-N 2 2 277.416 0.633 20 0 CCADLP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000068802065 348822727 /nfs/dbraw/zinc/82/27/27/348822727.db2.gz RALONIXXXBSIIW-GXTWGEPZSA-N 2 2 277.416 0.633 20 0 CCADLP Cc1cc(C)n(CC[NH+]2CCN(C(=O)C[NH+](C)C)CC2)n1 ZINC000069220466 348836625 /nfs/dbraw/zinc/83/66/25/348836625.db2.gz UKSNGIOWAYVEDF-UHFFFAOYSA-N 2 2 293.415 0.206 20 0 CCADLP CCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069859354 348863243 /nfs/dbraw/zinc/86/32/43/348863243.db2.gz JKOLORAMIUYZHM-LSDHHAIUSA-N 2 2 297.443 0.945 20 0 CCADLP CCCNC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069859354 348863247 /nfs/dbraw/zinc/86/32/47/348863247.db2.gz JKOLORAMIUYZHM-LSDHHAIUSA-N 2 2 297.443 0.945 20 0 CCADLP C[C@H]([NH3+])CCC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000070318098 348885262 /nfs/dbraw/zinc/88/52/62/348885262.db2.gz LAVFOKKUCULVEC-NWDGAFQWSA-N 2 2 255.362 0.047 20 0 CCADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000072857828 348935932 /nfs/dbraw/zinc/93/59/32/348935932.db2.gz CJEMDOULAXSSQD-NWDGAFQWSA-N 2 2 253.390 0.927 20 0 CCADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000072857828 348935935 /nfs/dbraw/zinc/93/59/35/348935935.db2.gz CJEMDOULAXSSQD-NWDGAFQWSA-N 2 2 253.390 0.927 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000072857828 348935938 /nfs/dbraw/zinc/93/59/38/348935938.db2.gz CJEMDOULAXSSQD-NWDGAFQWSA-N 2 2 253.390 0.927 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000072857828 348935940 /nfs/dbraw/zinc/93/59/40/348935940.db2.gz CJEMDOULAXSSQD-NWDGAFQWSA-N 2 2 253.390 0.927 20 0 CCADLP COCCCNC(=O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000072981312 348940182 /nfs/dbraw/zinc/94/01/82/348940182.db2.gz USDOHZKOOMLNAG-AWEZNQCLSA-N 2 2 285.432 0.945 20 0 CCADLP COCCCNC(=O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000072981312 348940184 /nfs/dbraw/zinc/94/01/84/348940184.db2.gz USDOHZKOOMLNAG-AWEZNQCLSA-N 2 2 285.432 0.945 20 0 CCADLP COCCCNC(=O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000072981312 348940187 /nfs/dbraw/zinc/94/01/87/348940187.db2.gz USDOHZKOOMLNAG-AWEZNQCLSA-N 2 2 285.432 0.945 20 0 CCADLP COCCCNC(=O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000072981312 348940189 /nfs/dbraw/zinc/94/01/89/348940189.db2.gz USDOHZKOOMLNAG-AWEZNQCLSA-N 2 2 285.432 0.945 20 0 CCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000074177239 348978228 /nfs/dbraw/zinc/97/82/28/348978228.db2.gz PXKLZYTUOCTTIC-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP CC[NH+]1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000077210262 349101653 /nfs/dbraw/zinc/10/16/53/349101653.db2.gz CKHMSDPABDWSNB-UHFFFAOYSA-N 2 2 258.329 0.804 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000075958382 349059477 /nfs/dbraw/zinc/05/94/77/349059477.db2.gz SEGIQTNJNUGDRI-GFCCVEGCSA-N 2 2 252.362 0.309 20 0 CCADLP CC(C)C[C@H](CNC(=O)[C@]1(C)CCC[NH2+]1)[NH+]1CCOCC1 ZINC000079519585 349182548 /nfs/dbraw/zinc/18/25/48/349182548.db2.gz SVJFHFVCWLPJJX-ZBFHGGJFSA-N 2 2 297.443 0.992 20 0 CCADLP O=C(NCc1[nH]cc[nH+]1)[C@H]1[NH2+]CCc2ccccc21 ZINC000080626139 349223773 /nfs/dbraw/zinc/22/37/73/349223773.db2.gz DFONAOHRPGYSDC-ZDUSSCGKSA-N 2 2 256.309 0.913 20 0 CCADLP CCC[NH+]1CCC([NH2+][C@H](C)CS(C)(=O)=O)CC1 ZINC000081899183 349287754 /nfs/dbraw/zinc/28/77/54/349287754.db2.gz ATMHCAYRNCDNAO-LLVKDONJSA-N 2 2 262.419 0.884 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000082315821 349298291 /nfs/dbraw/zinc/29/82/91/349298291.db2.gz SBQWDJNSNAERKF-CYBMUJFWSA-N 2 2 274.368 0.682 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000082315821 349298294 /nfs/dbraw/zinc/29/82/94/349298294.db2.gz SBQWDJNSNAERKF-CYBMUJFWSA-N 2 2 274.368 0.682 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)c1ccsc1 ZINC000081249019 349251907 /nfs/dbraw/zinc/25/19/07/349251907.db2.gz GNMXFQOKDCWKJA-QWHCGFSZSA-N 2 2 297.424 0.798 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)c1ccsc1 ZINC000081249019 349251910 /nfs/dbraw/zinc/25/19/10/349251910.db2.gz GNMXFQOKDCWKJA-QWHCGFSZSA-N 2 2 297.424 0.798 20 0 CCADLP CC(C)[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000081339090 349258293 /nfs/dbraw/zinc/25/82/93/349258293.db2.gz NRSVXAHZDBCRSK-UHFFFAOYSA-N 2 2 250.346 0.826 20 0 CCADLP CC(C)[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000081339090 349258295 /nfs/dbraw/zinc/25/82/95/349258295.db2.gz NRSVXAHZDBCRSK-UHFFFAOYSA-N 2 2 250.346 0.826 20 0 CCADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NCCC(=O)OC)C1 ZINC000081516589 349271174 /nfs/dbraw/zinc/27/11/74/349271174.db2.gz ZGHIVZRAJVGHRU-CYBMUJFWSA-N 2 2 299.415 0.329 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NCCC(=O)OC)C1 ZINC000081516589 349271176 /nfs/dbraw/zinc/27/11/76/349271176.db2.gz ZGHIVZRAJVGHRU-CYBMUJFWSA-N 2 2 299.415 0.329 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCCC(=O)OC)C1 ZINC000081516589 349271180 /nfs/dbraw/zinc/27/11/80/349271180.db2.gz ZGHIVZRAJVGHRU-CYBMUJFWSA-N 2 2 299.415 0.329 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCCC(=O)OC)C1 ZINC000081516589 349271183 /nfs/dbraw/zinc/27/11/83/349271183.db2.gz ZGHIVZRAJVGHRU-CYBMUJFWSA-N 2 2 299.415 0.329 20 0 CCADLP CN(C)c1nc(NC[C@@H]2C[N@H+](C)CCN2C)cc[nH+]1 ZINC000085431824 349333862 /nfs/dbraw/zinc/33/38/62/349333862.db2.gz ZBOHTWBBPPKWDC-LLVKDONJSA-N 2 2 264.377 0.200 20 0 CCADLP CN(C)c1nc(NC[C@@H]2C[N@@H+](C)CCN2C)cc[nH+]1 ZINC000085431824 349333865 /nfs/dbraw/zinc/33/38/65/349333865.db2.gz ZBOHTWBBPPKWDC-LLVKDONJSA-N 2 2 264.377 0.200 20 0 CCADLP Cn1c[nH+]cc1CN1CC[NH+](CC(C)(C)O)CC1 ZINC000090233489 349429670 /nfs/dbraw/zinc/42/96/70/349429670.db2.gz NGRSSDGJUAIRRM-UHFFFAOYSA-N 2 2 252.362 0.309 20 0 CCADLP CCN(C)C(=O)CC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926331 349412704 /nfs/dbraw/zinc/41/27/04/349412704.db2.gz AOTJCFVAKNBHTL-UHFFFAOYSA-N 2 2 279.388 0.411 20 0 CCADLP COCCOCC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926566 349413153 /nfs/dbraw/zinc/41/31/53/349413153.db2.gz OHLMDSZGEZHTTQ-UHFFFAOYSA-N 2 2 268.361 0.205 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000123697017 350080805 /nfs/dbraw/zinc/08/08/05/350080805.db2.gz CAOZLDKLMDJIHW-LLVKDONJSA-N 2 2 272.393 0.527 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000123697017 350080809 /nfs/dbraw/zinc/08/08/09/350080809.db2.gz CAOZLDKLMDJIHW-LLVKDONJSA-N 2 2 272.393 0.527 20 0 CCADLP OC1(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)CCOCC1 ZINC000124827182 350108569 /nfs/dbraw/zinc/10/85/69/350108569.db2.gz NJTZLPUFLBVGAM-HNNXBMFYSA-N 2 2 298.427 0.572 20 0 CCADLP OC1(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)CCOCC1 ZINC000124827182 350108572 /nfs/dbraw/zinc/10/85/72/350108572.db2.gz NJTZLPUFLBVGAM-HNNXBMFYSA-N 2 2 298.427 0.572 20 0 CCADLP COc1ccc(/C=C/C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000124286319 350092946 /nfs/dbraw/zinc/09/29/46/350092946.db2.gz CIDFWYYHTQACCW-LHRNQBEKSA-N 2 2 289.379 0.810 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2c(F)cccc2F)[C@H](C[NH3+])C1 ZINC000124348257 350096838 /nfs/dbraw/zinc/09/68/38/350096838.db2.gz XXEJNYSUNIKWBH-SNVBAGLBSA-N 2 2 283.322 0.609 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2c(F)cccc2F)[C@H](C[NH3+])C1 ZINC000124348257 350096842 /nfs/dbraw/zinc/09/68/42/350096842.db2.gz XXEJNYSUNIKWBH-SNVBAGLBSA-N 2 2 283.322 0.609 20 0 CCADLP C(C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)C1OCCO1 ZINC000124426113 350098912 /nfs/dbraw/zinc/09/89/12/350098912.db2.gz ZIXNGGIKEMCIQZ-CYBMUJFWSA-N 2 2 270.373 0.404 20 0 CCADLP C(C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)C1OCCO1 ZINC000124426113 350098913 /nfs/dbraw/zinc/09/89/13/350098913.db2.gz ZIXNGGIKEMCIQZ-CYBMUJFWSA-N 2 2 270.373 0.404 20 0 CCADLP CNC(=O)CC[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000125744420 350128552 /nfs/dbraw/zinc/12/85/52/350128552.db2.gz NPIIFZZZNNOWII-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP CNC(=O)CC[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000125744420 350128554 /nfs/dbraw/zinc/12/85/54/350128554.db2.gz NPIIFZZZNNOWII-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000129516541 350216526 /nfs/dbraw/zinc/21/65/26/350216526.db2.gz NKMBKPPCHMJFFE-KGLIPLIRSA-N 2 2 298.431 0.300 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)C[C@H](C)O1 ZINC000129013833 350203736 /nfs/dbraw/zinc/20/37/36/350203736.db2.gz LGIABZPNFQWKLX-RVMXOQNASA-N 2 2 269.389 0.434 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)C[C@H](C)O1 ZINC000129013833 350203737 /nfs/dbraw/zinc/20/37/37/350203737.db2.gz LGIABZPNFQWKLX-RVMXOQNASA-N 2 2 269.389 0.434 20 0 CCADLP COc1cc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc2c1OCO2 ZINC000131360053 350272824 /nfs/dbraw/zinc/27/28/24/350272824.db2.gz WYRLUOQKEGRIJK-OAHLLOKOSA-N 2 2 296.367 0.826 20 0 CCADLP CN(C)c1nc(N2CC[NH+](C[C@@H]3CCCO3)CC2)cc[nH+]1 ZINC000134181693 350356667 /nfs/dbraw/zinc/35/66/67/350356667.db2.gz IGTCKASTTAPCAZ-ZDUSSCGKSA-N 2 2 291.399 0.844 20 0 CCADLP C[C@@H](CC(N)=O)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000135714430 350407590 /nfs/dbraw/zinc/40/75/90/350407590.db2.gz LTGZCRSVHHOKJY-NSHDSACASA-N 2 2 262.357 0.904 20 0 CCADLP CC(C)[C@@H](C(=O)NCC(C)(C)[NH+]1CCOCC1)[NH+](C)C ZINC000106426247 186116574 /nfs/dbraw/zinc/11/65/74/186116574.db2.gz LYFPQIRNDPVMES-ZDUSSCGKSA-N 2 2 285.432 0.800 20 0 CCADLP CC[C@@H]([NH3+])C(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000152862671 350543466 /nfs/dbraw/zinc/54/34/66/350543466.db2.gz ALJOTGCYADULQJ-GFCCVEGCSA-N 2 2 282.413 0.915 20 0 CCADLP CC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000152862671 350543469 /nfs/dbraw/zinc/54/34/69/350543469.db2.gz ALJOTGCYADULQJ-GFCCVEGCSA-N 2 2 282.413 0.915 20 0 CCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCCn1cc[nH+]c1 ZINC000154921234 350603984 /nfs/dbraw/zinc/60/39/84/350603984.db2.gz VEVSEVUUZKVLTG-CYBMUJFWSA-N 2 2 279.388 0.865 20 0 CCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCCn1cc[nH+]c1 ZINC000154921234 350603986 /nfs/dbraw/zinc/60/39/86/350603986.db2.gz VEVSEVUUZKVLTG-CYBMUJFWSA-N 2 2 279.388 0.865 20 0 CCADLP COC[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000155365298 350617619 /nfs/dbraw/zinc/61/76/19/350617619.db2.gz QVNCUVQJLVIXEA-CHWSQXEVSA-N 2 2 271.405 0.554 20 0 CCADLP COC[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000155365298 350617624 /nfs/dbraw/zinc/61/76/24/350617624.db2.gz QVNCUVQJLVIXEA-CHWSQXEVSA-N 2 2 271.405 0.554 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)[C@H]1CCOC1 ZINC000155290708 350615102 /nfs/dbraw/zinc/61/51/02/350615102.db2.gz RWMYELCCQVAQPH-SOUVJXGZSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)[C@H]1CCOC1 ZINC000155290708 350615106 /nfs/dbraw/zinc/61/51/06/350615106.db2.gz RWMYELCCQVAQPH-SOUVJXGZSA-N 2 2 297.443 0.944 20 0 CCADLP CCn1nccc1C[N@H+](CCO)C1CC[NH+](C)CC1 ZINC000156531596 350631460 /nfs/dbraw/zinc/63/14/60/350631460.db2.gz JNLDDUYWRSSCJE-UHFFFAOYSA-N 2 2 266.389 0.792 20 0 CCADLP CCn1nccc1C[N@@H+](CCO)C1CC[NH+](C)CC1 ZINC000156531596 350631462 /nfs/dbraw/zinc/63/14/62/350631462.db2.gz JNLDDUYWRSSCJE-UHFFFAOYSA-N 2 2 266.389 0.792 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1NC(=[NH2+])Nc2nc3ccccc3n21 ZINC000159002381 350665921 /nfs/dbraw/zinc/66/59/21/350665921.db2.gz CJJHOJSAZKHGDL-LLVKDONJSA-N 2 2 267.296 0.866 20 0 CCADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOCCO ZINC000159177873 350671705 /nfs/dbraw/zinc/67/17/05/350671705.db2.gz KCFNIZDKIZMHAA-ZBFHGGJFSA-N 2 2 293.411 0.891 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOCCO ZINC000159177873 350671709 /nfs/dbraw/zinc/67/17/09/350671709.db2.gz KCFNIZDKIZMHAA-ZBFHGGJFSA-N 2 2 293.411 0.891 20 0 CCADLP Cc1nc(CN2CC[NH+](CCn3cc[nH+]c3)CC2)no1 ZINC000163073457 350759644 /nfs/dbraw/zinc/75/96/44/350759644.db2.gz HFOJUQKMYPZWSP-UHFFFAOYSA-N 2 2 276.344 0.392 20 0 CCADLP Cc1[nH+]ccn1CCCC[N@H+]1CCN(C)C(=O)C1 ZINC000162007179 350733428 /nfs/dbraw/zinc/73/34/28/350733428.db2.gz GFVPREXPYOOAJH-UHFFFAOYSA-N 2 2 250.346 0.746 20 0 CCADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCN(C)C(=O)C1 ZINC000162007179 350733429 /nfs/dbraw/zinc/73/34/29/350733429.db2.gz GFVPREXPYOOAJH-UHFFFAOYSA-N 2 2 250.346 0.746 20 0 CCADLP COc1cccc([C@H](C)C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000162305101 350740424 /nfs/dbraw/zinc/74/04/24/350740424.db2.gz IEEQGUJIVZWMNH-JSGCOSHPSA-N 2 2 291.395 0.900 20 0 CCADLP Cc1nn(C)c(C)c1CCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000162466321 350743807 /nfs/dbraw/zinc/74/38/07/350743807.db2.gz MDILYUVMFUKJEL-ZDUSSCGKSA-N 2 2 293.415 0.071 20 0 CCADLP Cc1nn(C)c(C)c1CCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000162466321 350743810 /nfs/dbraw/zinc/74/38/10/350743810.db2.gz MDILYUVMFUKJEL-ZDUSSCGKSA-N 2 2 293.415 0.071 20 0 CCADLP O=C(Nc1ccc(-n2cc[nH+]c2)nc1)[C@@]1(F)CC[NH2+]C1 ZINC000164692438 350782141 /nfs/dbraw/zinc/78/21/41/350782141.db2.gz HXMLUTBOOGYOJA-CYBMUJFWSA-N 2 2 275.287 0.907 20 0 CCADLP O=C(NCCC[NH+]1CCOCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000170249739 350843561 /nfs/dbraw/zinc/84/35/61/350843561.db2.gz PVNBGHGCVNYDRW-ZDUSSCGKSA-N 2 2 292.383 0.284 20 0 CCADLP O=C(NCCn1cc[nH+]c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000170740604 350856314 /nfs/dbraw/zinc/85/63/14/350856314.db2.gz UUAKOOPZPGTQEA-ZDUSSCGKSA-N 2 2 277.372 0.763 20 0 CCADLP C[C@H]1CCC[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000172629051 351001312 /nfs/dbraw/zinc/00/13/12/351001312.db2.gz XBOJKNMCKVFPMW-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@H]1CCC[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000172629051 351001316 /nfs/dbraw/zinc/00/13/16/351001316.db2.gz XBOJKNMCKVFPMW-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000175001678 351114115 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ZINC000177124777 351195051 /nfs/dbraw/zinc/19/50/51/351195051.db2.gz VNWVOPYPAZLGHC-UHFFFAOYSA-N 2 2 257.378 0.165 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)C[NH2+]CC2CC2)CCO1 ZINC000178744560 351243298 /nfs/dbraw/zinc/24/32/98/351243298.db2.gz DSCPRZOCDMSVFQ-UHFFFAOYSA-N 2 2 269.389 0.213 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)C[NH2+]CC2CC2)CCO1 ZINC000178744560 351243301 /nfs/dbraw/zinc/24/33/01/351243301.db2.gz DSCPRZOCDMSVFQ-UHFFFAOYSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C[N@@H+]1C1CC1 ZINC000177216799 351197375 /nfs/dbraw/zinc/19/73/75/351197375.db2.gz NHLIOSDNQLRYEH-MDZLAQPJSA-N 2 2 267.373 0.058 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C[N@H+]1C1CC1 ZINC000177216799 351197381 /nfs/dbraw/zinc/19/73/81/351197381.db2.gz NHLIOSDNQLRYEH-MDZLAQPJSA-N 2 2 267.373 0.058 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C[NH+]1C1CC1 ZINC000177216799 351197386 /nfs/dbraw/zinc/19/73/86/351197386.db2.gz NHLIOSDNQLRYEH-MDZLAQPJSA-N 2 2 267.373 0.058 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C[NH+]1C1CC1 ZINC000177216799 351197389 /nfs/dbraw/zinc/19/73/89/351197389.db2.gz NHLIOSDNQLRYEH-MDZLAQPJSA-N 2 2 267.373 0.058 20 0 CCADLP OCC[NH+]1CCN(Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000177228327 351198653 /nfs/dbraw/zinc/19/86/53/351198653.db2.gz GBXMXLRQNIRUGK-UHFFFAOYSA-N 2 2 287.367 0.377 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000178062673 351218217 /nfs/dbraw/zinc/21/82/17/351218217.db2.gz JJLCGRJMKFXUOG-CYBMUJFWSA-N 2 2 288.351 0.671 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000178062673 351218221 /nfs/dbraw/zinc/21/82/21/351218221.db2.gz JJLCGRJMKFXUOG-CYBMUJFWSA-N 2 2 288.351 0.671 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1(C)CC1 ZINC000181028413 351298665 /nfs/dbraw/zinc/29/86/65/351298665.db2.gz NXZSZUFXJNVDDP-ZIAGYGMSSA-N 2 2 295.427 0.698 20 0 CCADLP CCC[C@@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181026083 351298863 /nfs/dbraw/zinc/29/88/63/351298863.db2.gz BKXUNMWZKTVEIE-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP NC(=O)N1CCC[N@H+](Cc2cccc3[nH+]ccn32)CC1 ZINC000179944176 351278243 /nfs/dbraw/zinc/27/82/43/351278243.db2.gz VEONSSLXZDVKHZ-UHFFFAOYSA-N 2 2 273.340 0.921 20 0 CCADLP NC(=O)N1CCC[N@@H+](Cc2cccc3[nH+]ccn32)CC1 ZINC000179944176 351278247 /nfs/dbraw/zinc/27/82/47/351278247.db2.gz VEONSSLXZDVKHZ-UHFFFAOYSA-N 2 2 273.340 0.921 20 0 CCADLP CNC(=O)[C@H]1C[N@H+](CCCCn2cc[nH+]c2C)CCO1 ZINC000184067676 351399448 /nfs/dbraw/zinc/39/94/48/351399448.db2.gz LZJQWXAFWBQSGD-CYBMUJFWSA-N 2 2 280.372 0.419 20 0 CCADLP CNC(=O)[C@H]1C[N@@H+](CCCCn2cc[nH+]c2C)CCO1 ZINC000184067676 351399454 /nfs/dbraw/zinc/39/94/54/351399454.db2.gz LZJQWXAFWBQSGD-CYBMUJFWSA-N 2 2 280.372 0.419 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H](C)OC)CC1 ZINC000182130033 351349289 /nfs/dbraw/zinc/34/92/89/351349289.db2.gz AIQNGQQWRWJRRL-CYBMUJFWSA-N 2 2 271.405 0.507 20 0 CCADLP CC[C@@H]1[C@H](C)CC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000185672950 351453901 /nfs/dbraw/zinc/45/39/01/351453901.db2.gz LNFLCIWKVKEDEO-CHWSQXEVSA-N 2 2 253.390 0.881 20 0 CCADLP CC[C@@H]1[C@H](C)CC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000185672950 351453904 /nfs/dbraw/zinc/45/39/04/351453904.db2.gz LNFLCIWKVKEDEO-CHWSQXEVSA-N 2 2 253.390 0.881 20 0 CCADLP C[NH+]1CCC(CC(=O)NCCn2cc[nH+]c2)CC1 ZINC000291380054 198005575 /nfs/dbraw/zinc/00/55/75/198005575.db2.gz BKPGNKJANGCCNY-UHFFFAOYSA-N 2 2 250.346 0.731 20 0 CCADLP CSC[C@@H](O)C[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000187754987 351554917 /nfs/dbraw/zinc/55/49/17/351554917.db2.gz MUKPPNASQKXRLU-JSGCOSHPSA-N 2 2 288.457 0.895 20 0 CCADLP CSC[C@@H](O)C[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000187754987 351554924 /nfs/dbraw/zinc/55/49/24/351554924.db2.gz MUKPPNASQKXRLU-JSGCOSHPSA-N 2 2 288.457 0.895 20 0 CCADLP O=C(NCc1ccn2cc[nH+]c2c1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188776307 351627493 /nfs/dbraw/zinc/62/74/93/351627493.db2.gz INPCYRZFLAZYAI-UHFFFAOYSA-N 2 2 296.334 0.633 20 0 CCADLP C[C@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)CC[N@@H+]1CCO ZINC000188786702 351628315 /nfs/dbraw/zinc/62/83/15/351628315.db2.gz VYDWMHSYVKDZGS-LBPRGKRZSA-N 2 2 288.351 0.473 20 0 CCADLP C[C@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)CC[N@H+]1CCO ZINC000188786702 351628319 /nfs/dbraw/zinc/62/83/19/351628319.db2.gz VYDWMHSYVKDZGS-LBPRGKRZSA-N 2 2 288.351 0.473 20 0 CCADLP CCN(C)c1ccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cn1 ZINC000191471571 351760083 /nfs/dbraw/zinc/76/00/83/351760083.db2.gz GYGMEOQVRPLROG-OAHLLOKOSA-N 2 2 280.416 0.940 20 0 CCADLP CN(CCC(=O)NCc1[nH+]ccn1C)c1cc[nH+]cc1 ZINC000541856309 290939141 /nfs/dbraw/zinc/93/91/41/290939141.db2.gz GZPFMNBOMFSOCJ-UHFFFAOYSA-N 2 2 273.340 0.958 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000193215092 351816042 /nfs/dbraw/zinc/81/60/42/351816042.db2.gz KEWYMPLXWZXRQI-CYBMUJFWSA-N 2 2 292.383 0.712 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000193215092 351816045 /nfs/dbraw/zinc/81/60/45/351816045.db2.gz KEWYMPLXWZXRQI-CYBMUJFWSA-N 2 2 292.383 0.712 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000291877501 198092793 /nfs/dbraw/zinc/09/27/93/198092793.db2.gz OBVMGSLLCUCQQS-CQSZACIVSA-N 2 2 277.372 0.657 20 0 CCADLP Cn1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000124211451 187127118 /nfs/dbraw/zinc/12/71/18/187127118.db2.gz KDROHIKCGWYEIP-CQSZACIVSA-N 2 2 251.374 0.962 20 0 CCADLP C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000195127717 351897994 /nfs/dbraw/zinc/89/79/94/351897994.db2.gz ZAUUPMFGYWLHAK-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1C)[NH+]1CCOCC1 ZINC000195127717 351897996 /nfs/dbraw/zinc/89/79/96/351897996.db2.gz ZAUUPMFGYWLHAK-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H]([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000195149607 351898818 /nfs/dbraw/zinc/89/88/18/351898818.db2.gz VDQVECKCURISNT-UTUOFQBUSA-N 2 2 292.383 0.659 20 0 CCADLP C[C@@H](O)C1CC[NH+](Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC000226437518 352027432 /nfs/dbraw/zinc/02/74/32/352027432.db2.gz FSLRIGNOXQMHIJ-SECBINFHSA-N 2 2 268.361 0.856 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000228722368 352082765 /nfs/dbraw/zinc/08/27/65/352082765.db2.gz CKXPSZBXFPSJFA-AWEZNQCLSA-N 2 2 265.357 0.188 20 0 CCADLP CNC(=O)c1ccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc1 ZINC000228726618 352083259 /nfs/dbraw/zinc/08/32/59/352083259.db2.gz JEFRRAYAXBJKQT-OAHLLOKOSA-N 2 2 279.384 0.448 20 0 CCADLP COC[C@@H](CO)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000234876762 352176702 /nfs/dbraw/zinc/17/67/02/352176702.db2.gz RUCYAYIAGZZUTN-CYBMUJFWSA-N 2 2 261.325 0.969 20 0 CCADLP C[C@H](CNC(=O)NC[C@H]1CCC[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000417011734 233909240 /nfs/dbraw/zinc/90/92/40/233909240.db2.gz SVCKGLUWOVBHQO-RDBSUJKOSA-N 2 2 298.431 0.524 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000236778417 352212754 /nfs/dbraw/zinc/21/27/54/352212754.db2.gz UPYPNJKFEIVHNM-NWDGAFQWSA-N 2 2 287.429 0.122 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000236778417 352212758 /nfs/dbraw/zinc/21/27/58/352212758.db2.gz UPYPNJKFEIVHNM-NWDGAFQWSA-N 2 2 287.429 0.122 20 0 CCADLP C[NH2+]CC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000237261609 352256894 /nfs/dbraw/zinc/25/68/94/352256894.db2.gz GNRYCBRQHMAAGU-AWEZNQCLSA-N 2 2 288.351 0.854 20 0 CCADLP C[C@@H]1CN(c2ccc(CNC(=O)C[NH3+])c[nH+]2)C[C@@H](C)O1 ZINC000237527154 352270216 /nfs/dbraw/zinc/27/02/16/352270216.db2.gz IBIBYZTVJVMKOP-GHMZBOCLSA-N 2 2 278.356 0.270 20 0 CCADLP C[C@H](CNC(=O)[C@H]1COCC[NH2+]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000237567399 352271680 /nfs/dbraw/zinc/27/16/80/352271680.db2.gz AHJJMRZOVKFEBH-JHJVBQTASA-N 2 2 269.389 0.211 20 0 CCADLP C[C@H](CNC(=O)[C@H]1COCC[NH2+]1)[N@H+]1CCC[C@@H](C)C1 ZINC000237567399 352271681 /nfs/dbraw/zinc/27/16/81/352271681.db2.gz AHJJMRZOVKFEBH-JHJVBQTASA-N 2 2 269.389 0.211 20 0 CCADLP C[C@H]([C@H](C)NC(=O)NC[C@@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000417519260 233967618 /nfs/dbraw/zinc/96/76/18/233967618.db2.gz MCXMZXAUBMZMMZ-XQQFMLRXSA-N 2 2 284.404 0.147 20 0 CCADLP O=C(NCCc1cn2ccccc2[nH+]1)[C@H]1CC[NH2+]C1 ZINC000237900520 352288347 /nfs/dbraw/zinc/28/83/47/352288347.db2.gz BUZFCDDPVHNSOB-NSHDSACASA-N 2 2 258.325 0.603 20 0 CCADLP O=C(NC[C@@H]1CCC[NH2+]C1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000237941111 352290190 /nfs/dbraw/zinc/29/01/90/352290190.db2.gz IKQFSTQCKDWUPX-GFCCVEGCSA-N 2 2 285.351 0.997 20 0 CCADLP [NH3+][C@H](C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1 ZINC000238020394 352294839 /nfs/dbraw/zinc/29/48/39/352294839.db2.gz PAHKDJVLCGHDFA-CABCVRRESA-N 2 2 289.379 0.666 20 0 CCADLP [NH3+][C@H](C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccccc1 ZINC000238020394 352294845 /nfs/dbraw/zinc/29/48/45/352294845.db2.gz PAHKDJVLCGHDFA-CABCVRRESA-N 2 2 289.379 0.666 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N[C@H](C[NH3+])C2CCCC2)c1 ZINC000418284855 234052049 /nfs/dbraw/zinc/05/20/49/234052049.db2.gz VJAFLELRXGWWFP-CYBMUJFWSA-N 2 2 279.388 0.779 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(CC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000248897114 352465657 /nfs/dbraw/zinc/46/56/57/352465657.db2.gz BSWVXKFFDNRKNP-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(CC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000248897114 352465659 /nfs/dbraw/zinc/46/56/59/352465659.db2.gz BSWVXKFFDNRKNP-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP C[N@H+](CC(=O)NC[C@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250406094 352505413 /nfs/dbraw/zinc/50/54/13/352505413.db2.gz NCDMZDBNDLVGNM-QNMSZWNNSA-N 2 2 281.400 0.496 20 0 CCADLP C[N@@H+](CC(=O)NC[C@H]1CCCO1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250406094 352505417 /nfs/dbraw/zinc/50/54/17/352505417.db2.gz NCDMZDBNDLVGNM-QNMSZWNNSA-N 2 2 281.400 0.496 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)no1 ZINC000252874026 352526142 /nfs/dbraw/zinc/52/61/42/352526142.db2.gz VALZSFTWSYUONH-SDDRHHMPSA-N 2 2 278.356 0.981 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)no1 ZINC000252874026 352526144 /nfs/dbraw/zinc/52/61/44/352526144.db2.gz VALZSFTWSYUONH-SDDRHHMPSA-N 2 2 278.356 0.981 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](C[C@H]2CCSC2)C1 ZINC000262021942 352570077 /nfs/dbraw/zinc/57/00/77/352570077.db2.gz WFCURIUOAYTLRH-OLZOCXBDSA-N 2 2 283.441 0.636 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](C[C@H]2CCSC2)C1 ZINC000262021942 352570081 /nfs/dbraw/zinc/57/00/81/352570081.db2.gz WFCURIUOAYTLRH-OLZOCXBDSA-N 2 2 283.441 0.636 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000269606456 352852210 /nfs/dbraw/zinc/85/22/10/352852210.db2.gz QGEMIYCQAKOQKJ-CYBMUJFWSA-N 2 2 280.372 0.236 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)c[nH]1 ZINC000269806969 352876890 /nfs/dbraw/zinc/87/68/90/352876890.db2.gz LFHNIWOVNHWALC-CYBMUJFWSA-N 2 2 269.345 0.204 20 0 CCADLP Cc1nc(N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)cc[nH+]1 ZINC000418998307 234281749 /nfs/dbraw/zinc/28/17/49/234281749.db2.gz HMHZXPKJBLXSIV-QWRGUYRKSA-N 2 2 250.346 0.676 20 0 CCADLP Cc1nc(N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)cc[nH+]1 ZINC000418998307 234281752 /nfs/dbraw/zinc/28/17/52/234281752.db2.gz HMHZXPKJBLXSIV-QWRGUYRKSA-N 2 2 250.346 0.676 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655442266 412571302 /nfs/dbraw/zinc/57/13/02/412571302.db2.gz IIKBAWKWXIEHAT-GXTWGEPZSA-N 2 2 262.357 0.779 20 0 CCADLP Cc1cc(N(C)C[C@@H](O)C[NH+]2CCOCC2)cc[nH+]1 ZINC000274933460 353173753 /nfs/dbraw/zinc/17/37/53/353173753.db2.gz RHRKVXKWNREUHJ-CQSZACIVSA-N 2 2 265.357 0.519 20 0 CCADLP C[C@@H](CNC(=O)NCCn1cc[nH+]c1)C[NH+]1CCOCC1 ZINC000154897758 188169173 /nfs/dbraw/zinc/16/91/73/188169173.db2.gz JUBIFXYNWKFUFG-ZDUSSCGKSA-N 2 2 295.387 0.151 20 0 CCADLP C[N@H+](CCCO)C1CCN(c2nc[nH+]c(N)c2Cl)CC1 ZINC000277697447 353259534 /nfs/dbraw/zinc/25/95/34/353259534.db2.gz GFLZQFFKTCWVCW-UHFFFAOYSA-N 2 2 299.806 0.995 20 0 CCADLP C[N@@H+](CCCO)C1CCN(c2nc[nH+]c(N)c2Cl)CC1 ZINC000277697447 353259537 /nfs/dbraw/zinc/25/95/37/353259537.db2.gz GFLZQFFKTCWVCW-UHFFFAOYSA-N 2 2 299.806 0.995 20 0 CCADLP C[N@H+](CCCO)C1CCN(c2[nH+]cnc(N)c2Cl)CC1 ZINC000277697447 353259540 /nfs/dbraw/zinc/25/95/40/353259540.db2.gz GFLZQFFKTCWVCW-UHFFFAOYSA-N 2 2 299.806 0.995 20 0 CCADLP C[N@@H+](CCCO)C1CCN(c2[nH+]cnc(N)c2Cl)CC1 ZINC000277697447 353259542 /nfs/dbraw/zinc/25/95/42/353259542.db2.gz GFLZQFFKTCWVCW-UHFFFAOYSA-N 2 2 299.806 0.995 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(c2[nH+]cnc3[nH]ccc32)[C@@H](C)C1 ZINC000277736992 353262318 /nfs/dbraw/zinc/26/23/18/353262318.db2.gz HSWVAXXXQGOSNO-QWRGUYRKSA-N 2 2 275.356 0.849 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(c2[nH+]cnc3[nH]ccc32)[C@@H](C)C1 ZINC000277736992 353262322 /nfs/dbraw/zinc/26/23/22/353262322.db2.gz HSWVAXXXQGOSNO-QWRGUYRKSA-N 2 2 275.356 0.849 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(c2[nH+]cnc3[nH]ccc32)[C@H](C)C1 ZINC000277736983 353262735 /nfs/dbraw/zinc/26/27/35/353262735.db2.gz HSWVAXXXQGOSNO-MNOVXSKESA-N 2 2 275.356 0.849 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(c2[nH+]cnc3[nH]ccc32)[C@H](C)C1 ZINC000277736983 353262739 /nfs/dbraw/zinc/26/27/39/353262739.db2.gz HSWVAXXXQGOSNO-MNOVXSKESA-N 2 2 275.356 0.849 20 0 CCADLP COCC[NH+]1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000280623120 353372394 /nfs/dbraw/zinc/37/23/94/353372394.db2.gz WLOQRABDZYMQDP-UHFFFAOYSA-N 2 2 280.372 0.143 20 0 CCADLP CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000604790511 363222363 /nfs/dbraw/zinc/22/23/63/363222363.db2.gz BMVFXAMZQAFEJO-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000604790511 363222366 /nfs/dbraw/zinc/22/23/66/363222366.db2.gz BMVFXAMZQAFEJO-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000604790511 363222373 /nfs/dbraw/zinc/22/23/73/363222373.db2.gz BMVFXAMZQAFEJO-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000604790511 363222375 /nfs/dbraw/zinc/22/23/75/363222375.db2.gz BMVFXAMZQAFEJO-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccon1 ZINC000283004128 353472842 /nfs/dbraw/zinc/47/28/42/353472842.db2.gz FVORCURZBPNALT-UHFFFAOYSA-N 2 2 266.345 0.271 20 0 CCADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccon1 ZINC000283004128 353472845 /nfs/dbraw/zinc/47/28/45/353472845.db2.gz FVORCURZBPNALT-UHFFFAOYSA-N 2 2 266.345 0.271 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000284046195 353545581 /nfs/dbraw/zinc/54/55/81/353545581.db2.gz QAMHFCSZQCUVDM-JDGPPOGSSA-N 2 2 264.329 0.260 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000284046195 353545583 /nfs/dbraw/zinc/54/55/83/353545583.db2.gz QAMHFCSZQCUVDM-JDGPPOGSSA-N 2 2 264.329 0.260 20 0 CCADLP C[C@@H]1[NH2+]CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H]1C ZINC000655458072 412580701 /nfs/dbraw/zinc/58/07/01/412580701.db2.gz KOKLNXZCJVZXPO-SRVKXCTJSA-N 2 2 262.357 0.654 20 0 CCADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCNc1cccc[nH+]1 ZINC000289956895 353696182 /nfs/dbraw/zinc/69/61/82/353696182.db2.gz PPHUJXWSHKBOBP-VXGBXAGGSA-N 2 2 262.357 0.998 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000290139102 353710948 /nfs/dbraw/zinc/71/09/48/353710948.db2.gz VOWQKEGPCYOIDZ-QWHCGFSZSA-N 2 2 262.357 0.706 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000290139102 353710952 /nfs/dbraw/zinc/71/09/52/353710952.db2.gz VOWQKEGPCYOIDZ-QWHCGFSZSA-N 2 2 262.357 0.706 20 0 CCADLP CCOC(=O)C1(O)CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000290165636 353712376 /nfs/dbraw/zinc/71/23/76/353712376.db2.gz XYWLBFLQYOJAKQ-UHFFFAOYSA-N 2 2 281.356 0.353 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)Nc1ccnn1CC[NH+](C)C ZINC000294056909 353864626 /nfs/dbraw/zinc/86/46/26/353864626.db2.gz LTQFOPXLTOUKRH-UHFFFAOYSA-N 2 2 290.371 0.750 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)Nc1ccnn1CC[NH+](C)C ZINC000294310572 353886824 /nfs/dbraw/zinc/88/68/24/353886824.db2.gz UYQZLWNYAUUHOZ-UHFFFAOYSA-N 2 2 291.359 0.500 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000299500139 354022165 /nfs/dbraw/zinc/02/21/65/354022165.db2.gz QBAJQENKYACVNQ-GFCCVEGCSA-N 2 2 295.387 0.211 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000299589247 354030223 /nfs/dbraw/zinc/03/02/23/354030223.db2.gz WCUZTEIMIXMJLY-ZDUSSCGKSA-N 2 2 285.351 0.978 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000299589247 354030225 /nfs/dbraw/zinc/03/02/25/354030225.db2.gz WCUZTEIMIXMJLY-ZDUSSCGKSA-N 2 2 285.351 0.978 20 0 CCADLP C[C@H](CNC(=O)CCCC[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000556938032 291017054 /nfs/dbraw/zinc/01/70/54/291017054.db2.gz GXNCVVJRSSIEBT-CQSZACIVSA-N 2 2 284.448 0.470 20 0 CCADLP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cnn(C)c1 ZINC000305159271 354134514 /nfs/dbraw/zinc/13/45/14/354134514.db2.gz WQAHFNYUXUAACD-ZIAGYGMSSA-N 2 2 266.389 0.918 20 0 CCADLP Cc1[nH+]cn(C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000304019078 354102340 /nfs/dbraw/zinc/10/23/40/354102340.db2.gz MLIKABQTHMUMBL-UHIISALHSA-N 2 2 267.373 0.970 20 0 CCADLP Cc1[nH+]cn(C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000304019078 354102343 /nfs/dbraw/zinc/10/23/43/354102343.db2.gz MLIKABQTHMUMBL-UHIISALHSA-N 2 2 267.373 0.970 20 0 CCADLP [NH3+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655481612 412586362 /nfs/dbraw/zinc/58/63/62/412586362.db2.gz MGKUEGQHODHMMB-QJPTWQEYSA-N 2 2 262.357 0.832 20 0 CCADLP O[C@@H](CN1CCOCC1)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000305263349 354142146 /nfs/dbraw/zinc/14/21/46/354142146.db2.gz YFBNQNQUCNUESW-KGLIPLIRSA-N 2 2 294.399 0.282 20 0 CCADLP O[C@@H](CN1CCOCC1)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000305263349 354142149 /nfs/dbraw/zinc/14/21/49/354142149.db2.gz YFBNQNQUCNUESW-KGLIPLIRSA-N 2 2 294.399 0.282 20 0 CCADLP C[C@H](CC(N)=O)[NH2+]C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000305766834 354160992 /nfs/dbraw/zinc/16/09/92/354160992.db2.gz GTYGYGWFKAWRLU-VHDGCEQUSA-N 2 2 291.395 0.475 20 0 CCADLP C[C@H](CC(N)=O)[NH2+]C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000305766834 354160993 /nfs/dbraw/zinc/16/09/93/354160993.db2.gz GTYGYGWFKAWRLU-VHDGCEQUSA-N 2 2 291.395 0.475 20 0 CCADLP CCOC1(C)CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)CC1 ZINC000312994049 354211782 /nfs/dbraw/zinc/21/17/82/354211782.db2.gz MPKDEHFUNRTDTC-AWEZNQCLSA-N 2 2 288.432 0.817 20 0 CCADLP CCOC1(C)CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)CC1 ZINC000312994049 354211785 /nfs/dbraw/zinc/21/17/85/354211785.db2.gz MPKDEHFUNRTDTC-AWEZNQCLSA-N 2 2 288.432 0.817 20 0 CCADLP CCO[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C[NH3+] ZINC000655486445 412588008 /nfs/dbraw/zinc/58/80/08/412588008.db2.gz UWNZZNGHPPXCFB-YNEHKIRRSA-N 2 2 292.383 0.268 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000328618247 354239328 /nfs/dbraw/zinc/23/93/28/354239328.db2.gz UYLLVKUNSLPPED-SNVBAGLBSA-N 2 2 263.301 0.268 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000328618247 354239332 /nfs/dbraw/zinc/23/93/32/354239332.db2.gz UYLLVKUNSLPPED-SNVBAGLBSA-N 2 2 263.301 0.268 20 0 CCADLP CC[NH2+]CCCNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000557206447 291027032 /nfs/dbraw/zinc/02/70/32/291027032.db2.gz UFGJBPMOWHKHOS-CQSZACIVSA-N 2 2 298.431 0.492 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCOCC2CCCC2)[C@@H](C[NH3+])C1 ZINC000557232547 291028222 /nfs/dbraw/zinc/02/82/22/291028222.db2.gz YMFHZYHPILMEQX-AWEZNQCLSA-N 2 2 298.431 0.478 20 0 CCADLP C[C@H](CNC(=O)c1coc(C[NH3+])c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487907 412590242 /nfs/dbraw/zinc/59/02/42/412590242.db2.gz PNSZFNIIJUCPLY-UTUOFQBUSA-N 2 2 295.383 0.966 20 0 CCADLP C[C@H](CNC(=O)c1coc(C[NH3+])c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487907 412590246 /nfs/dbraw/zinc/59/02/46/412590246.db2.gz PNSZFNIIJUCPLY-UTUOFQBUSA-N 2 2 295.383 0.966 20 0 CCADLP C[NH2+][C@@H](C)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487206 412591032 /nfs/dbraw/zinc/59/10/32/412591032.db2.gz ANOXSAGJUMSCJO-YFKTTZPYSA-N 2 2 257.378 0.208 20 0 CCADLP C[NH2+][C@@H](C)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487206 412591034 /nfs/dbraw/zinc/59/10/34/412591034.db2.gz ANOXSAGJUMSCJO-YFKTTZPYSA-N 2 2 257.378 0.208 20 0 CCADLP C[C@H](C(=O)NCC(C)(C)[NH+]1CCOCC1)[NH+]1CC(C)C1 ZINC000557418116 291031839 /nfs/dbraw/zinc/03/18/39/291031839.db2.gz PLSKFURNLPKDLQ-CYBMUJFWSA-N 2 2 283.416 0.554 20 0 CCADLP CC(=O)[C@@](C)(O)C[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000331306455 354527311 /nfs/dbraw/zinc/52/73/11/354527311.db2.gz GEBVGBQGIWJJKS-HNNXBMFYSA-N 2 2 277.368 0.852 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@@H](C)[NH+]1CC(C)C1)[NH+]1CCOCC1 ZINC000557481450 291033839 /nfs/dbraw/zinc/03/38/39/291033839.db2.gz MHQVXSCZZUDROE-HUUCEWRRSA-N 2 2 297.443 0.800 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2CCC[NH+]2C)C[C@H]1C ZINC000331339204 354542163 /nfs/dbraw/zinc/54/21/63/354542163.db2.gz RQQPMFKOIZVJGV-CHWSQXEVSA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2CCC[NH+]2C)C[C@H]1C ZINC000331339204 354542169 /nfs/dbraw/zinc/54/21/69/354542169.db2.gz RQQPMFKOIZVJGV-CHWSQXEVSA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC000331339204 354542174 /nfs/dbraw/zinc/54/21/74/354542174.db2.gz RQQPMFKOIZVJGV-CHWSQXEVSA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC000331339204 354542178 /nfs/dbraw/zinc/54/21/78/354542178.db2.gz RQQPMFKOIZVJGV-CHWSQXEVSA-N 2 2 297.399 0.176 20 0 CCADLP C[C@@H]1CC[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@@H]1C[NH3+] ZINC000331400455 354563091 /nfs/dbraw/zinc/56/30/91/354563091.db2.gz NOIVSXYNPLFXCG-NEPJUHHUSA-N 2 2 274.430 0.728 20 0 CCADLP C[C@@H]1CC[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@@H]1C[NH3+] ZINC000331400455 354563092 /nfs/dbraw/zinc/56/30/92/354563092.db2.gz NOIVSXYNPLFXCG-NEPJUHHUSA-N 2 2 274.430 0.728 20 0 CCADLP C[NH2+][C@H]1CCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000332156180 354622659 /nfs/dbraw/zinc/62/26/59/354622659.db2.gz RMMHQZSPOZPVGY-STQMWFEESA-N 2 2 289.383 0.664 20 0 CCADLP C[C@H]([NH2+][C@@H]1CCO[C@H]1c1cnn(C)c1)[C@H]1CCC[NH2+]1 ZINC000333640289 354768075 /nfs/dbraw/zinc/76/80/75/354768075.db2.gz XEHFRQQMCZKSGG-ASEORRQLSA-N 2 2 264.373 0.980 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000333653725 354770689 /nfs/dbraw/zinc/77/06/89/354770689.db2.gz WFBUAVIGNAVZDP-OLZOCXBDSA-N 2 2 284.404 0.134 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000333653725 354770692 /nfs/dbraw/zinc/77/06/92/354770692.db2.gz WFBUAVIGNAVZDP-OLZOCXBDSA-N 2 2 284.404 0.134 20 0 CCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@@H]1CCC[NH2+]C1 ZINC000333798352 354796306 /nfs/dbraw/zinc/79/63/06/354796306.db2.gz NQWWEJCSCBOXFV-GFCCVEGCSA-N 2 2 291.399 0.813 20 0 CCADLP C[C@H](C(=O)N1CC[NH+](C)CC1)[NH+]1CCSCC1 ZINC000334429049 354863192 /nfs/dbraw/zinc/86/31/92/354863192.db2.gz TVWWYOFDNMUMIZ-LLVKDONJSA-N 2 2 257.403 0.198 20 0 CCADLP Cc1[nH+]ccn1CCCCNC(=O)CN1CC[NH+](C)CC1 ZINC000608411343 363427324 /nfs/dbraw/zinc/42/73/24/363427324.db2.gz XUKDMDATCPKZMZ-UHFFFAOYSA-N 2 2 293.415 0.335 20 0 CCADLP [NH3+]CC(F)(F)CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000423537884 235001976 /nfs/dbraw/zinc/00/19/76/235001976.db2.gz DUMGDVGDEIUYFB-UHFFFAOYSA-N 2 2 281.266 0.591 20 0 CCADLP COc1cc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCO2)c(F)cn1 ZINC000423546421 235002741 /nfs/dbraw/zinc/00/27/41/235002741.db2.gz DFGQEYYWPAVOPJ-ZJUUUORDSA-N 2 2 269.320 0.868 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261660909 535273974 /nfs/dbraw/zinc/27/39/74/535273974.db2.gz IGJXTVDUXAJHFV-ZWNOBZJWSA-N 2 2 270.377 0.280 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261660909 535273981 /nfs/dbraw/zinc/27/39/81/535273981.db2.gz IGJXTVDUXAJHFV-ZWNOBZJWSA-N 2 2 270.377 0.280 20 0 CCADLP C[C@H](C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2)[NH+]1CCSCC1 ZINC000335833748 355023812 /nfs/dbraw/zinc/02/38/12/355023812.db2.gz FKWMKFPSUNDWCB-TZMCWYRMSA-N 2 2 297.468 0.976 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000423762992 235065606 /nfs/dbraw/zinc/06/56/06/235065606.db2.gz PDPQYVKNDBRVBS-KBXIAJHMSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000423762992 235065610 /nfs/dbraw/zinc/06/56/10/235065610.db2.gz PDPQYVKNDBRVBS-KBXIAJHMSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@H](C)O1 ZINC000423768819 235069110 /nfs/dbraw/zinc/06/91/10/235069110.db2.gz YYACYZDHIHMTJI-QNWHQSFQSA-N 2 2 287.379 0.254 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@H](C)O1 ZINC000423768819 235069112 /nfs/dbraw/zinc/06/91/12/235069112.db2.gz YYACYZDHIHMTJI-QNWHQSFQSA-N 2 2 287.379 0.254 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@H](O)C(C)(C)C1)C1CC1 ZINC000336786475 355159516 /nfs/dbraw/zinc/15/95/16/355159516.db2.gz CBKNHJGJILCNPL-OLZOCXBDSA-N 2 2 256.390 0.534 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@H](O)C(C)(C)C1)C1CC1 ZINC000336786475 355159517 /nfs/dbraw/zinc/15/95/17/355159517.db2.gz CBKNHJGJILCNPL-OLZOCXBDSA-N 2 2 256.390 0.534 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@H](O)C(C)(C)C1)C1CC1 ZINC000336786475 355159518 /nfs/dbraw/zinc/15/95/18/355159518.db2.gz CBKNHJGJILCNPL-OLZOCXBDSA-N 2 2 256.390 0.534 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@H](O)C(C)(C)C1)C1CC1 ZINC000336786475 355159519 /nfs/dbraw/zinc/15/95/19/355159519.db2.gz CBKNHJGJILCNPL-OLZOCXBDSA-N 2 2 256.390 0.534 20 0 CCADLP CN(C)S(=O)(=O)CC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000336787109 355159539 /nfs/dbraw/zinc/15/95/39/355159539.db2.gz KKHUBBCULOUQSZ-LBPRGKRZSA-N 2 2 277.434 0.151 20 0 CCADLP CN(C)S(=O)(=O)CC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000336787109 355159540 /nfs/dbraw/zinc/15/95/40/355159540.db2.gz KKHUBBCULOUQSZ-LBPRGKRZSA-N 2 2 277.434 0.151 20 0 CCADLP CN(C)S(=O)(=O)CC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000336787109 355159541 /nfs/dbraw/zinc/15/95/41/355159541.db2.gz KKHUBBCULOUQSZ-LBPRGKRZSA-N 2 2 277.434 0.151 20 0 CCADLP CN(C)S(=O)(=O)CC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000336787109 355159542 /nfs/dbraw/zinc/15/95/42/355159542.db2.gz KKHUBBCULOUQSZ-LBPRGKRZSA-N 2 2 277.434 0.151 20 0 CCADLP C[C@H](O)CCC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000336793938 355167186 /nfs/dbraw/zinc/16/71/86/355167186.db2.gz ZANUJVOJAAMOCA-LBPRGKRZSA-N 2 2 252.362 0.688 20 0 CCADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCCNC2=O)C1 ZINC000336692132 355137235 /nfs/dbraw/zinc/13/72/35/355137235.db2.gz BOBXVMZMPLACFZ-CHWSQXEVSA-N 2 2 253.390 0.929 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCCNC2=O)C1 ZINC000336692132 355137237 /nfs/dbraw/zinc/13/72/37/355137237.db2.gz BOBXVMZMPLACFZ-CHWSQXEVSA-N 2 2 253.390 0.929 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC000336692132 355137238 /nfs/dbraw/zinc/13/72/38/355137238.db2.gz BOBXVMZMPLACFZ-CHWSQXEVSA-N 2 2 253.390 0.929 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC000336692132 355137240 /nfs/dbraw/zinc/13/72/40/355137240.db2.gz BOBXVMZMPLACFZ-CHWSQXEVSA-N 2 2 253.390 0.929 20 0 CCADLP COCCCC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000336731129 355153570 /nfs/dbraw/zinc/15/35/70/355153570.db2.gz QRHROFHULNGVBS-UHFFFAOYSA-N 2 2 252.362 0.954 20 0 CCADLP Cn1ccnc1C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000336840844 355211589 /nfs/dbraw/zinc/21/15/89/355211589.db2.gz NLSKKHGQOPCTBZ-UHFFFAOYSA-N 2 2 291.443 0.880 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC(n2cncn2)CC1)C1CC1 ZINC000336842331 355212437 /nfs/dbraw/zinc/21/24/37/355212437.db2.gz UKGOXWSSDPZVCC-AWEZNQCLSA-N 2 2 279.388 0.370 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(n2cncn2)CC1)C1CC1 ZINC000336842331 355212439 /nfs/dbraw/zinc/21/24/39/355212439.db2.gz UKGOXWSSDPZVCC-AWEZNQCLSA-N 2 2 279.388 0.370 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)C1CC1 ZINC000336814346 355189352 /nfs/dbraw/zinc/18/93/52/355189352.db2.gz FKTZWQKDTXFWCH-UKRRQHHQSA-N 3 2 269.433 0.715 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1)C1CC1 ZINC000336814346 355189353 /nfs/dbraw/zinc/18/93/53/355189353.db2.gz FKTZWQKDTXFWCH-UKRRQHHQSA-N 3 2 269.433 0.715 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C[C@@H]1CCC[NH+](C)C1 ZINC000336814346 355189355 /nfs/dbraw/zinc/18/93/55/355189355.db2.gz FKTZWQKDTXFWCH-UKRRQHHQSA-N 3 2 269.433 0.715 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C[C@@H]1CCC[NH+](C)C1 ZINC000336814346 355189357 /nfs/dbraw/zinc/18/93/57/355189357.db2.gz FKTZWQKDTXFWCH-UKRRQHHQSA-N 3 2 269.433 0.715 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000336816208 355190075 /nfs/dbraw/zinc/19/00/75/355190075.db2.gz KXTAJHALPXPTPH-ZDUSSCGKSA-N 2 2 285.413 0.948 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000336816208 355190077 /nfs/dbraw/zinc/19/00/77/355190077.db2.gz KXTAJHALPXPTPH-ZDUSSCGKSA-N 2 2 285.413 0.948 20 0 CCADLP C[N@@H+]1CC[C@]2(CC[NH+](CCN3CCCS3(=O)=O)C2)C1 ZINC000336818514 355192090 /nfs/dbraw/zinc/19/20/90/355192090.db2.gz VVKMXWAUDIWHEF-ZDUSSCGKSA-N 2 2 287.429 0.050 20 0 CCADLP C[N@H+]1CC[C@]2(CC[NH+](CCN3CCCS3(=O)=O)C2)C1 ZINC000336818514 355192091 /nfs/dbraw/zinc/19/20/91/355192091.db2.gz VVKMXWAUDIWHEF-ZDUSSCGKSA-N 2 2 287.429 0.050 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@H+](CCN3CCCS3(=O)=O)C2)C1 ZINC000336818514 355192092 /nfs/dbraw/zinc/19/20/92/355192092.db2.gz VVKMXWAUDIWHEF-ZDUSSCGKSA-N 2 2 287.429 0.050 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@@H+](CCN3CCCS3(=O)=O)C2)C1 ZINC000336818514 355192093 /nfs/dbraw/zinc/19/20/93/355192093.db2.gz VVKMXWAUDIWHEF-ZDUSSCGKSA-N 2 2 287.429 0.050 20 0 CCADLP CN(C)c1noc(C[NH+]2CCC(C[NH+](C)C)CC2)n1 ZINC000337135346 355271784 /nfs/dbraw/zinc/27/17/84/355271784.db2.gz MHACOSRAPZFHMN-UHFFFAOYSA-N 2 2 267.377 0.909 20 0 CCADLP CC(C)(C)C[N@H+](CCCO)Cc1noc(C[NH3+])n1 ZINC000337047503 355256322 /nfs/dbraw/zinc/25/63/22/355256322.db2.gz GYSIOINUHSMHMM-UHFFFAOYSA-N 2 2 256.350 0.759 20 0 CCADLP CC(C)(C)C[N@@H+](CCCO)Cc1noc(C[NH3+])n1 ZINC000337047503 355256326 /nfs/dbraw/zinc/25/63/26/355256326.db2.gz GYSIOINUHSMHMM-UHFFFAOYSA-N 2 2 256.350 0.759 20 0 CCADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338181269 355310163 /nfs/dbraw/zinc/31/01/63/355310163.db2.gz WPIGFOJDLDPDKN-QWHCGFSZSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338181269 355310166 /nfs/dbraw/zinc/31/01/66/355310166.db2.gz WPIGFOJDLDPDKN-QWHCGFSZSA-N 2 2 283.416 0.648 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)n1 ZINC000338293770 355312710 /nfs/dbraw/zinc/31/27/10/355312710.db2.gz VGISBMBVFXVIGB-SNVBAGLBSA-N 2 2 281.360 0.193 20 0 CCADLP OC[C@]1(F)CC[NH+](C/C=C\C[N@H+]2CC[C@@](F)(CO)C2)C1 ZINC000338594161 355374874 /nfs/dbraw/zinc/37/48/74/355374874.db2.gz OMLOGHWLVDSVMY-GFCAHOMWSA-N 2 2 290.354 0.355 20 0 CCADLP OC[C@]1(F)CC[NH+](C/C=C\C[N@@H+]2CC[C@@](F)(CO)C2)C1 ZINC000338594161 355374877 /nfs/dbraw/zinc/37/48/77/355374877.db2.gz OMLOGHWLVDSVMY-GFCAHOMWSA-N 2 2 290.354 0.355 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC[NH+]2CCC2)CC1 ZINC000340249910 355538020 /nfs/dbraw/zinc/53/80/20/355538020.db2.gz AQHFTCFHNRDZMR-UHFFFAOYSA-N 3 2 297.447 0.017 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)CO)CC1 ZINC000342790166 355747045 /nfs/dbraw/zinc/74/70/45/355747045.db2.gz ZDVDXUIQRYJDCR-LLVKDONJSA-N 2 2 258.362 0.374 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CC(=O)N(C)C2)CC1 ZINC000342796557 355748838 /nfs/dbraw/zinc/74/88/38/355748838.db2.gz PVEXXQQDGDTIGK-ZDUSSCGKSA-N 2 2 297.399 0.224 20 0 CCADLP O=C(C[C@H]1CC[NH2+]C1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000427323346 235359047 /nfs/dbraw/zinc/35/90/47/235359047.db2.gz WRGJNGRSVCFAFB-ZIAGYGMSSA-N 2 2 281.400 0.309 20 0 CCADLP O=C(C[C@@H]1CC[NH2+]C1)NCc1cn2c([nH+]1)CCCC2 ZINC000427315063 235359520 /nfs/dbraw/zinc/35/95/20/235359520.db2.gz SSSXZPRFQVWCIJ-NSHDSACASA-N 2 2 262.357 0.835 20 0 CCADLP CC[C@H](C(=O)NCC[N@@H+]1CCOC[C@@H]1C)[NH+](CC)CC ZINC000345407131 355818791 /nfs/dbraw/zinc/81/87/91/355818791.db2.gz DJFSWMREENQWPZ-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP CC[C@H](C(=O)NCC[N@H+]1CCOC[C@@H]1C)[NH+](CC)CC ZINC000345407131 355818795 /nfs/dbraw/zinc/81/87/95/355818795.db2.gz DJFSWMREENQWPZ-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348280343 355903236 /nfs/dbraw/zinc/90/32/36/355903236.db2.gz MRETYAUCPQNSJR-QWHCGFSZSA-N 2 2 253.390 0.914 20 0 CCADLP CC[C@H](C(N)=O)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000348280343 355903239 /nfs/dbraw/zinc/90/32/39/355903239.db2.gz MRETYAUCPQNSJR-QWHCGFSZSA-N 2 2 253.390 0.914 20 0 CCADLP CC[C@H](C(N)=O)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000348280343 355903242 /nfs/dbraw/zinc/90/32/42/355903242.db2.gz MRETYAUCPQNSJR-QWHCGFSZSA-N 2 2 253.390 0.914 20 0 CCADLP CC[C@H](C(N)=O)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000348280343 355903247 /nfs/dbraw/zinc/90/32/47/355903247.db2.gz MRETYAUCPQNSJR-QWHCGFSZSA-N 2 2 253.390 0.914 20 0 CCADLP C[NH+](C)Cc1cnc(C[N@H+](C)CCOCCO)s1 ZINC000348286381 355904323 /nfs/dbraw/zinc/90/43/23/355904323.db2.gz ZUJAURNMCYDRPD-UHFFFAOYSA-N 2 2 273.402 0.645 20 0 CCADLP C[NH+](C)Cc1cnc(C[N@@H+](C)CCOCCO)s1 ZINC000348286381 355904325 /nfs/dbraw/zinc/90/43/25/355904325.db2.gz ZUJAURNMCYDRPD-UHFFFAOYSA-N 2 2 273.402 0.645 20 0 CCADLP CC[N@@H+]1CCN(CCC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000352658139 356042950 /nfs/dbraw/zinc/04/29/50/356042950.db2.gz DCUCGNHWTLDFNU-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP CC[N@H+]1CCN(CCC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000352658139 356042958 /nfs/dbraw/zinc/04/29/58/356042958.db2.gz DCUCGNHWTLDFNU-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP CCN1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000352658139 356042963 /nfs/dbraw/zinc/04/29/63/356042963.db2.gz DCUCGNHWTLDFNU-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP CCN1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000352658139 356042968 /nfs/dbraw/zinc/04/29/68/356042968.db2.gz DCUCGNHWTLDFNU-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP COC(=O)c1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)[nH]1 ZINC000352690038 356054330 /nfs/dbraw/zinc/05/43/30/356054330.db2.gz BHTOECPXQZHICP-CYBMUJFWSA-N 2 2 292.383 0.281 20 0 CCADLP CC(=O)N1CC[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000352749391 356069884 /nfs/dbraw/zinc/06/98/84/356069884.db2.gz MWIJWJPEWFQYRU-LLVKDONJSA-N 2 2 282.413 0.915 20 0 CCADLP Cc1cnn(C)c1C[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000352758510 356071960 /nfs/dbraw/zinc/07/19/60/356071960.db2.gz ZDNCQRVHHWIVBD-AWEZNQCLSA-N 2 2 280.416 0.911 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000353465108 356229700 /nfs/dbraw/zinc/22/97/00/356229700.db2.gz ZMXBAZAHIBBALI-CABCVRRESA-N 3 2 296.459 0.517 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000353474814 356232204 /nfs/dbraw/zinc/23/22/04/356232204.db2.gz WNHWCFLOPSZGID-SRVKXCTJSA-N 2 2 250.346 0.776 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)COC(F)F)CC1 ZINC000353585760 356254901 /nfs/dbraw/zinc/25/49/01/356254901.db2.gz VOGCVOVCHSEUEA-UHFFFAOYSA-N 2 2 279.331 0.368 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)NCC[NH+]2CCOC(C)(C)C2)CC[N@@H+]1C ZINC000353691723 356274277 /nfs/dbraw/zinc/27/42/77/356274277.db2.gz NVGPKRAKDVUCDL-KGLIPLIRSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)NCC[NH+]2CCOC(C)(C)C2)CC[N@H+]1C ZINC000353691723 356274278 /nfs/dbraw/zinc/27/42/78/356274278.db2.gz NVGPKRAKDVUCDL-KGLIPLIRSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC[NH+]1C ZINC000353691723 356274280 /nfs/dbraw/zinc/27/42/80/356274280.db2.gz NVGPKRAKDVUCDL-KGLIPLIRSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC[NH+]1C ZINC000353691723 356274282 /nfs/dbraw/zinc/27/42/82/356274282.db2.gz NVGPKRAKDVUCDL-KGLIPLIRSA-N 2 2 297.443 0.944 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@H]2CCOC2)CC1 ZINC000360895451 138015242 /nfs/dbraw/zinc/01/52/42/138015242.db2.gz WWQBMGOHTPUHAZ-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NCCn2cc[nH+]c2)CC[N@@H+]1C ZINC000361857481 138036761 /nfs/dbraw/zinc/03/67/61/138036761.db2.gz AWDONYQFEKWSFI-NEPJUHHUSA-N 2 2 265.361 0.665 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NCCn2cc[nH+]c2)CC[N@H+]1C ZINC000361857481 138036762 /nfs/dbraw/zinc/03/67/62/138036762.db2.gz AWDONYQFEKWSFI-NEPJUHHUSA-N 2 2 265.361 0.665 20 0 CCADLP C[C@H]1C[C@H](C)[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000354219165 356369141 /nfs/dbraw/zinc/36/91/41/356369141.db2.gz COSNYWULXHZZIS-KBPBESRZSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H]1C[C@H](C)[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000354219165 356369147 /nfs/dbraw/zinc/36/91/47/356369147.db2.gz COSNYWULXHZZIS-KBPBESRZSA-N 2 2 297.443 0.944 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC([NH2+]C2CCC2)CC1 ZINC000362274912 138052770 /nfs/dbraw/zinc/05/27/70/138052770.db2.gz ZLSGDQZWJUNWMT-UHFFFAOYSA-N 2 2 267.417 0.925 20 0 CCADLP C(C[NH+]1CCC([NH2+]C2CCC2)CC1)N1CCOCC1 ZINC000362274912 138052771 /nfs/dbraw/zinc/05/27/71/138052771.db2.gz ZLSGDQZWJUNWMT-UHFFFAOYSA-N 2 2 267.417 0.925 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000273601410 192225241 /nfs/dbraw/zinc/22/52/41/192225241.db2.gz LGOXFHQKLNBJNE-ZDUSSCGKSA-N 2 2 262.357 0.911 20 0 CCADLP c1cn(CCC[N@@H+]2CCN3CCOC[C@H]3C2)c[nH+]1 ZINC000363798020 138093108 /nfs/dbraw/zinc/09/31/08/138093108.db2.gz WTNHODCOEZGNLN-CYBMUJFWSA-N 2 2 250.346 0.290 20 0 CCADLP c1cn(CCC[N@H+]2CCN3CCOC[C@H]3C2)c[nH+]1 ZINC000363798020 138093109 /nfs/dbraw/zinc/09/31/09/138093109.db2.gz WTNHODCOEZGNLN-CYBMUJFWSA-N 2 2 250.346 0.290 20 0 CCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000423780164 291108772 /nfs/dbraw/zinc/10/87/72/291108772.db2.gz FXXHRDRTUIALJE-DGCLKSJQSA-N 2 2 299.415 0.456 20 0 CCADLP O=C(NCC[NH+]1CCC1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000355148561 356590862 /nfs/dbraw/zinc/59/08/62/356590862.db2.gz BXIOFDLTYMSCMA-AWEZNQCLSA-N 2 2 281.400 0.452 20 0 CCADLP O=C(NCC[NH+]1CCC1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000355148561 356590867 /nfs/dbraw/zinc/59/08/67/356590867.db2.gz BXIOFDLTYMSCMA-AWEZNQCLSA-N 2 2 281.400 0.452 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000355090900 356574356 /nfs/dbraw/zinc/57/43/56/356574356.db2.gz HIVVEEJTHKLHCW-GHMZBOCLSA-N 2 2 265.361 0.447 20 0 CCADLP COC(=O)CNC(=O)CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609539630 363503993 /nfs/dbraw/zinc/50/39/93/363503993.db2.gz YMIZIUSNDPPHNQ-LBPRGKRZSA-N 2 2 294.355 0.199 20 0 CCADLP COC(=O)CNC(=O)CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609539630 363503995 /nfs/dbraw/zinc/50/39/95/363503995.db2.gz YMIZIUSNDPPHNQ-LBPRGKRZSA-N 2 2 294.355 0.199 20 0 CCADLP Cc1cnc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])s1 ZINC000560963661 291115145 /nfs/dbraw/zinc/11/51/45/291115145.db2.gz CZIHESWXQSNVNG-VIFPVBQESA-N 2 2 269.374 0.558 20 0 CCADLP Cc1cnc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])s1 ZINC000560963661 291115147 /nfs/dbraw/zinc/11/51/47/291115147.db2.gz CZIHESWXQSNVNG-VIFPVBQESA-N 2 2 269.374 0.558 20 0 CCADLP COc1cccc(C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)c1 ZINC000355745090 356638036 /nfs/dbraw/zinc/63/80/36/356638036.db2.gz FHHYMEUQYPHXNB-UHFFFAOYSA-N 2 2 291.395 0.901 20 0 CCADLP COc1cccc(C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)c1 ZINC000355745090 356638038 /nfs/dbraw/zinc/63/80/38/356638038.db2.gz FHHYMEUQYPHXNB-UHFFFAOYSA-N 2 2 291.395 0.901 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)NCc1cccnc1 ZINC000357087000 356768600 /nfs/dbraw/zinc/76/86/00/356768600.db2.gz SBTKBTASIXRNJK-ZIAGYGMSSA-N 2 2 274.368 0.239 20 0 CCADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)NCc1cccnc1 ZINC000357087000 356768604 /nfs/dbraw/zinc/76/86/04/356768604.db2.gz SBTKBTASIXRNJK-ZIAGYGMSSA-N 2 2 274.368 0.239 20 0 CCADLP O=C(Cn1cc[nH+]c1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000619885014 366369988 /nfs/dbraw/zinc/36/99/88/366369988.db2.gz LZPNFZXJXYTJJD-UHFFFAOYSA-N 2 2 292.383 0.454 20 0 CCADLP CC[C@H](C(=O)N(CC[NH+]1CCOCC1)CC1CC1)[NH+](C)C ZINC000619886792 366370145 /nfs/dbraw/zinc/37/01/45/366370145.db2.gz AGNMQHRUKAHXKZ-OAHLLOKOSA-N 2 2 297.443 0.897 20 0 CCADLP CS(=O)(=O)NCC[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000359305611 356799325 /nfs/dbraw/zinc/79/93/25/356799325.db2.gz LRNCSQXOPPEYCC-UHFFFAOYSA-N 2 2 285.413 0.387 20 0 CCADLP CS(=O)(=O)NCC[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000359305611 356799327 /nfs/dbraw/zinc/79/93/27/356799327.db2.gz LRNCSQXOPPEYCC-UHFFFAOYSA-N 2 2 285.413 0.387 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359309815 356800267 /nfs/dbraw/zinc/80/02/67/356800267.db2.gz QEBIBBVFCTUESS-GARJFASQSA-N 2 2 282.388 0.150 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359309815 356800269 /nfs/dbraw/zinc/80/02/69/356800269.db2.gz QEBIBBVFCTUESS-GARJFASQSA-N 2 2 282.388 0.150 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)no1 ZINC000359365186 356808978 /nfs/dbraw/zinc/80/89/78/356808978.db2.gz VNRJUGCWBPOTOF-LLVKDONJSA-N 2 2 278.356 0.656 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)no1 ZINC000359365186 356808982 /nfs/dbraw/zinc/80/89/82/356808982.db2.gz VNRJUGCWBPOTOF-LLVKDONJSA-N 2 2 278.356 0.656 20 0 CCADLP Cc1cc(C)n2c(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)cnc2n1 ZINC000359455075 356825079 /nfs/dbraw/zinc/82/50/79/356825079.db2.gz BUJPUWJLNZHFEJ-CHWSQXEVSA-N 2 2 271.368 0.997 20 0 CCADLP CN(C)C(=O)c1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)[nH]1 ZINC000359473795 356828226 /nfs/dbraw/zinc/82/82/26/356828226.db2.gz OEVXAESSJZTCTJ-GHMZBOCLSA-N 2 2 262.357 0.368 20 0 CCADLP CCCN(CC[NH+](C)C)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000339814939 283227498 /nfs/dbraw/zinc/22/74/98/283227498.db2.gz RXHVIRUOLJWOBF-CYBMUJFWSA-N 2 2 271.405 0.507 20 0 CCADLP C[C@H](CNC(=O)C1([NH+]2CCOCC2)CCC1)[NH+](C)C ZINC000360317324 356990987 /nfs/dbraw/zinc/99/09/87/356990987.db2.gz JFWNTFNHFMOUMZ-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H](C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000360085997 356945341 /nfs/dbraw/zinc/94/53/41/356945341.db2.gz CFUMDLGNJJHHPG-KBPBESRZSA-N 2 2 283.416 0.507 20 0 CCADLP O=C1NCCC[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655703786 412647394 /nfs/dbraw/zinc/64/73/94/412647394.db2.gz LHOMTPYERKVSAG-KBPBESRZSA-N 2 2 281.400 0.498 20 0 CCADLP CNC(=O)CC[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000360481125 357022892 /nfs/dbraw/zinc/02/28/92/357022892.db2.gz CZCNFQSKBDAVLH-UHFFFAOYSA-N 2 2 276.384 0.772 20 0 CCADLP COCCN(C)CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655707879 412648109 /nfs/dbraw/zinc/64/81/09/412648109.db2.gz GPLFXVQDSHNKCW-HNNXBMFYSA-N 2 2 285.432 0.408 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)[NH+]1CCOCC1 ZINC000364200155 357095161 /nfs/dbraw/zinc/09/51/61/357095161.db2.gz GQLOGNJJJXBZQD-SFDCQRBFSA-N 2 2 281.400 0.211 20 0 CCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000365306564 357142423 /nfs/dbraw/zinc/14/24/23/357142423.db2.gz SXTPHYUAYUAZBA-CYBMUJFWSA-N 2 2 292.383 0.508 20 0 CCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000365306564 357142427 /nfs/dbraw/zinc/14/24/27/357142427.db2.gz SXTPHYUAYUAZBA-CYBMUJFWSA-N 2 2 292.383 0.508 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000365449444 357152672 /nfs/dbraw/zinc/15/26/72/357152672.db2.gz QQISRZLAXFRCIF-HNNXBMFYSA-N 2 2 288.395 0.820 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000365449444 357152674 /nfs/dbraw/zinc/15/26/74/357152674.db2.gz QQISRZLAXFRCIF-HNNXBMFYSA-N 2 2 288.395 0.820 20 0 CCADLP CCC(=O)N1CC[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655724781 412653176 /nfs/dbraw/zinc/65/31/76/412653176.db2.gz ZIXMQEGRRBRFJN-HUUCEWRRSA-N 2 2 295.427 0.840 20 0 CCADLP C[N@@H+]1CCCC12CC[NH+](CCNS(C)(=O)=O)CC2 ZINC000368615264 357335292 /nfs/dbraw/zinc/33/52/92/357335292.db2.gz UIVBGWZALBHKFZ-UHFFFAOYSA-N 2 2 275.418 0.096 20 0 CCADLP C[N@H+]1CCCC12CC[NH+](CCNS(C)(=O)=O)CC2 ZINC000368615264 357335297 /nfs/dbraw/zinc/33/52/97/357335297.db2.gz UIVBGWZALBHKFZ-UHFFFAOYSA-N 2 2 275.418 0.096 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000376430543 357467823 /nfs/dbraw/zinc/46/78/23/357467823.db2.gz YIFJJHNQGDNQTB-LLVKDONJSA-N 2 2 291.355 0.151 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000376430543 357467824 /nfs/dbraw/zinc/46/78/24/357467824.db2.gz YIFJJHNQGDNQTB-LLVKDONJSA-N 2 2 291.355 0.151 20 0 CCADLP CCN(CCO)CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655757246 412655936 /nfs/dbraw/zinc/65/59/36/412655936.db2.gz RFQUICMPMPIUBT-MRXNPFEDSA-N 2 2 299.459 0.534 20 0 CCADLP CCn1nnc(C)c1C[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000449165102 236021569 /nfs/dbraw/zinc/02/15/69/236021569.db2.gz SZLQOMJLPNERSM-LBPRGKRZSA-N 2 2 281.404 0.664 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000449316320 236027910 /nfs/dbraw/zinc/02/79/10/236027910.db2.gz MMAIHKYFAMCVDF-DGCLKSJQSA-N 2 2 272.352 0.849 20 0 CCADLP Cc1ccccc1[C@@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000449119165 236017998 /nfs/dbraw/zinc/01/79/98/236017998.db2.gz WTQMDCILWCTPRD-DZGCQCFKSA-N 2 2 291.395 0.832 20 0 CCADLP Cc1ccccc1[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000449119165 236017999 /nfs/dbraw/zinc/01/79/99/236017999.db2.gz WTQMDCILWCTPRD-DZGCQCFKSA-N 2 2 291.395 0.832 20 0 CCADLP CNC(=O)C(C)(C)C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000121185022 283281232 /nfs/dbraw/zinc/28/12/32/283281232.db2.gz AZOLCQQZHUWTRK-MNOVXSKESA-N 2 2 253.390 0.973 20 0 CCADLP CNC(=O)C(C)(C)C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000121185022 283281234 /nfs/dbraw/zinc/28/12/34/283281234.db2.gz AZOLCQQZHUWTRK-MNOVXSKESA-N 2 2 253.390 0.973 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@](C)(O)C(=O)OC ZINC000394393090 357756288 /nfs/dbraw/zinc/75/62/88/357756288.db2.gz WWMRFBNRBLZXAO-MBNYWOFBSA-N 2 2 270.373 0.469 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@](C)(O)C(=O)OC ZINC000394393090 357756292 /nfs/dbraw/zinc/75/62/92/357756292.db2.gz WWMRFBNRBLZXAO-MBNYWOFBSA-N 2 2 270.373 0.469 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@](C)(O)C(=O)OC ZINC000394393090 357756298 /nfs/dbraw/zinc/75/62/98/357756298.db2.gz WWMRFBNRBLZXAO-MBNYWOFBSA-N 2 2 270.373 0.469 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@](C)(O)C(=O)OC ZINC000394393090 357756301 /nfs/dbraw/zinc/75/63/01/357756301.db2.gz WWMRFBNRBLZXAO-MBNYWOFBSA-N 2 2 270.373 0.469 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCN2CCCC2=O)C[N@@H+]1C1CC1 ZINC000405514037 357826560 /nfs/dbraw/zinc/82/65/60/357826560.db2.gz ZQBOMXTZPRMABH-NEPJUHHUSA-N 2 2 251.374 0.824 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCN2CCCC2=O)C[N@H+]1C1CC1 ZINC000405514037 357826563 /nfs/dbraw/zinc/82/65/63/357826563.db2.gz ZQBOMXTZPRMABH-NEPJUHHUSA-N 2 2 251.374 0.824 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2C=CCCC2)[C@@H](C[NH3+])C1 ZINC000561190145 291120009 /nfs/dbraw/zinc/12/00/09/291120009.db2.gz UUWJXKQMYOJQKH-NEPJUHHUSA-N 2 2 252.362 0.379 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2C=CCCC2)[C@@H](C[NH3+])C1 ZINC000561190145 291120011 /nfs/dbraw/zinc/12/00/11/291120011.db2.gz UUWJXKQMYOJQKH-NEPJUHHUSA-N 2 2 252.362 0.379 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000561272407 291125285 /nfs/dbraw/zinc/12/52/85/291125285.db2.gz DJVWWIPLRSIGBK-MQYJIDSJSA-N 2 2 294.399 0.581 20 0 CCADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000561272407 291125287 /nfs/dbraw/zinc/12/52/87/291125287.db2.gz DJVWWIPLRSIGBK-MQYJIDSJSA-N 2 2 294.399 0.581 20 0 CCADLP CCCN1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)CC1=O ZINC000262072903 283330675 /nfs/dbraw/zinc/33/06/75/283330675.db2.gz SFIJYZSNEHDDAX-CQSZACIVSA-N 2 2 253.390 0.930 20 0 CCADLP CCCN1CCC[N@@H+](C[C@]2(C)CC[NH2+]C2)CC1=O ZINC000262072903 283330679 /nfs/dbraw/zinc/33/06/79/283330679.db2.gz SFIJYZSNEHDDAX-CQSZACIVSA-N 2 2 253.390 0.930 20 0 CCADLP CCS(=O)(=O)NCCC[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000420293823 358179479 /nfs/dbraw/zinc/17/94/79/358179479.db2.gz NNUVFZCBXBZXEP-NSHDSACASA-N 2 2 263.407 0.129 20 0 CCADLP CCS(=O)(=O)NCCC[N@H+]1CCCC[C@H]1C[NH3+] ZINC000420293823 358179481 /nfs/dbraw/zinc/17/94/81/358179481.db2.gz NNUVFZCBXBZXEP-NSHDSACASA-N 2 2 263.407 0.129 20 0 CCADLP C[C@@H](C(=O)N1CCc2ccccc21)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420350466 358179924 /nfs/dbraw/zinc/17/99/24/358179924.db2.gz GYUZDLIZIRRKKM-WCQYABFASA-N 2 2 277.368 0.216 20 0 CCADLP C[C@@H](C(=O)N1CCc2ccccc21)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420350466 358179928 /nfs/dbraw/zinc/17/99/28/358179928.db2.gz GYUZDLIZIRRKKM-WCQYABFASA-N 2 2 277.368 0.216 20 0 CCADLP C[NH2+]CCC[N@H+](C)CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C ZINC000420389461 358181325 /nfs/dbraw/zinc/18/13/25/358181325.db2.gz OEFCMAAPJJKAIS-CHWSQXEVSA-N 2 2 298.431 0.932 20 0 CCADLP C[NH2+]CCC[N@@H+](C)CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C ZINC000420389461 358181326 /nfs/dbraw/zinc/18/13/26/358181326.db2.gz OEFCMAAPJJKAIS-CHWSQXEVSA-N 2 2 298.431 0.932 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCc3c(nnn3C)C2)n1C ZINC000655841204 412667955 /nfs/dbraw/zinc/66/79/55/412667955.db2.gz UTCIKAPKJCRIIE-JTQLQIEISA-N 2 2 289.387 0.262 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000562248478 291140589 /nfs/dbraw/zinc/14/05/89/291140589.db2.gz BKKHRZCONQAGLC-NSHDSACASA-N 2 2 265.361 0.561 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000562248478 291140591 /nfs/dbraw/zinc/14/05/91/291140591.db2.gz BKKHRZCONQAGLC-NSHDSACASA-N 2 2 265.361 0.561 20 0 CCADLP O=C([C@H]1COCC[NH2+]1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000430680207 358228157 /nfs/dbraw/zinc/22/81/57/358228157.db2.gz XWMRLBGLVWVUML-GHMZBOCLSA-N 2 2 264.329 0.104 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000447438775 358249000 /nfs/dbraw/zinc/24/90/00/358249000.db2.gz HWZAILZLOLFSQX-GHMZBOCLSA-N 2 2 266.345 0.480 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246210467 283360565 /nfs/dbraw/zinc/36/05/65/283360565.db2.gz OUAGVSWHXPVMTQ-NEPJUHHUSA-N 2 2 282.388 0.248 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246210467 283360566 /nfs/dbraw/zinc/36/05/66/283360566.db2.gz OUAGVSWHXPVMTQ-NEPJUHHUSA-N 2 2 282.388 0.248 20 0 CCADLP O=S1(=O)CCC[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000530225006 358381858 /nfs/dbraw/zinc/38/18/58/358381858.db2.gz WIIDOMSDRIVVOO-GHMZBOCLSA-N 2 2 258.387 0.438 20 0 CCADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000530220834 358380655 /nfs/dbraw/zinc/38/06/55/358380655.db2.gz DBGJJKGWLTXXOW-UHFFFAOYSA-N 2 2 289.383 0.224 20 0 CCADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ncnn3C)C2)CC1 ZINC000531177334 358447006 /nfs/dbraw/zinc/44/70/06/358447006.db2.gz FEQLLFRYQMKQLZ-CQSZACIVSA-N 2 2 292.431 0.415 20 0 CCADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ncnn3C)C2)CC1 ZINC000531177334 358447011 /nfs/dbraw/zinc/44/70/11/358447011.db2.gz FEQLLFRYQMKQLZ-CQSZACIVSA-N 2 2 292.431 0.415 20 0 CCADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000567915700 358613827 /nfs/dbraw/zinc/61/38/27/358613827.db2.gz DPEGMIXPIJDMOX-HBNTYKKESA-N 2 2 277.372 0.309 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000567949586 358617057 /nfs/dbraw/zinc/61/70/57/358617057.db2.gz KBTMSJAAPGIFAB-LBPRGKRZSA-N 2 2 250.346 0.895 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000567949586 358617060 /nfs/dbraw/zinc/61/70/60/358617060.db2.gz KBTMSJAAPGIFAB-LBPRGKRZSA-N 2 2 250.346 0.895 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000567949586 358617064 /nfs/dbraw/zinc/61/70/64/358617064.db2.gz KBTMSJAAPGIFAB-LBPRGKRZSA-N 2 2 250.346 0.895 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000567949586 358617067 /nfs/dbraw/zinc/61/70/67/358617067.db2.gz KBTMSJAAPGIFAB-LBPRGKRZSA-N 2 2 250.346 0.895 20 0 CCADLP CC(C)n1nccc1NC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000567990395 358623548 /nfs/dbraw/zinc/62/35/48/358623548.db2.gz ZBXNVNZLLJFHAD-MNOVXSKESA-N 2 2 283.376 0.042 20 0 CCADLP CC(C)n1nccc1NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000567990395 358623551 /nfs/dbraw/zinc/62/35/51/358623551.db2.gz ZBXNVNZLLJFHAD-MNOVXSKESA-N 2 2 283.376 0.042 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000568051081 358628837 /nfs/dbraw/zinc/62/88/37/358628837.db2.gz WJASUPAXIZLCNK-KBPBESRZSA-N 3 2 255.406 0.375 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000568051081 358628840 /nfs/dbraw/zinc/62/88/40/358628840.db2.gz WJASUPAXIZLCNK-KBPBESRZSA-N 3 2 255.406 0.375 20 0 CCADLP COc1c(N)[nH+]cnc1NCCc1cn2c([nH+]1)CCCC2 ZINC000568107767 358634560 /nfs/dbraw/zinc/63/45/60/358634560.db2.gz YBORTEPHQFRXNZ-UHFFFAOYSA-N 2 2 288.355 0.677 20 0 CCADLP COc1c(N)nc[nH+]c1NCCc1cn2c([nH+]1)CCCC2 ZINC000568107767 358634562 /nfs/dbraw/zinc/63/45/62/358634562.db2.gz YBORTEPHQFRXNZ-UHFFFAOYSA-N 2 2 288.355 0.677 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]2COCC[C@@H]21 ZINC000568164918 358638449 /nfs/dbraw/zinc/63/84/49/358638449.db2.gz CYSOJUBUQBCSJI-KKUMJFAQSA-N 2 2 286.416 0.426 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]2COCC[C@@H]21 ZINC000568164918 358638453 /nfs/dbraw/zinc/63/84/53/358638453.db2.gz CYSOJUBUQBCSJI-KKUMJFAQSA-N 2 2 286.416 0.426 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000568164918 358638457 /nfs/dbraw/zinc/63/84/57/358638457.db2.gz CYSOJUBUQBCSJI-KKUMJFAQSA-N 2 2 286.416 0.426 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000568164918 358638460 /nfs/dbraw/zinc/63/84/60/358638460.db2.gz CYSOJUBUQBCSJI-KKUMJFAQSA-N 2 2 286.416 0.426 20 0 CCADLP C[C@H]1COCC[N@H+]1C1CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000568175614 358640901 /nfs/dbraw/zinc/64/09/01/358640901.db2.gz BYKSSKKHIJUCNN-DZGCQCFKSA-N 2 2 284.400 0.587 20 0 CCADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC000568226618 358653163 /nfs/dbraw/zinc/65/31/63/358653163.db2.gz FZICCOYDFVOREE-CYBMUJFWSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC000568226618 358653168 /nfs/dbraw/zinc/65/31/68/358653168.db2.gz FZICCOYDFVOREE-CYBMUJFWSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000568226618 358653172 /nfs/dbraw/zinc/65/31/72/358653172.db2.gz FZICCOYDFVOREE-CYBMUJFWSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000568226618 358653175 /nfs/dbraw/zinc/65/31/75/358653175.db2.gz FZICCOYDFVOREE-CYBMUJFWSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@H](CC(=O)NC[C@@H]1CC[N@H+](C)C1)n1cc[nH+]c1 ZINC000568398926 358672173 /nfs/dbraw/zinc/67/21/73/358672173.db2.gz SPQLWLXLBAHHIZ-NEPJUHHUSA-N 2 2 250.346 0.902 20 0 CCADLP C[C@H](CC(=O)NC[C@@H]1CC[N@@H+](C)C1)n1cc[nH+]c1 ZINC000568398926 358672176 /nfs/dbraw/zinc/67/21/76/358672176.db2.gz SPQLWLXLBAHHIZ-NEPJUHHUSA-N 2 2 250.346 0.902 20 0 CCADLP O=S1(=O)CCC[C@H](C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000568512244 358680657 /nfs/dbraw/zinc/68/06/57/358680657.db2.gz RDXKEUXLOXMBPK-ZIAGYGMSSA-N 2 2 286.441 0.887 20 0 CCADLP O=S1(=O)CCC[C@H](C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000568512244 358680662 /nfs/dbraw/zinc/68/06/62/358680662.db2.gz RDXKEUXLOXMBPK-ZIAGYGMSSA-N 2 2 286.441 0.887 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)[C@@H](C)C[N@@H+]1C ZINC000569137194 358738746 /nfs/dbraw/zinc/73/87/46/358738746.db2.gz FDOPVLVLVRVKEM-NEPJUHHUSA-N 2 2 253.390 0.879 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)[C@@H](C)C[N@H+]1C ZINC000569137194 358738747 /nfs/dbraw/zinc/73/87/47/358738747.db2.gz FDOPVLVLVRVKEM-NEPJUHHUSA-N 2 2 253.390 0.879 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@H]2CCCCS2)[C@H](C[NH3+])C1 ZINC000569558706 358772924 /nfs/dbraw/zinc/77/29/24/358772924.db2.gz IAFDJDUZDNVEMS-VXGBXAGGSA-N 2 2 286.445 0.556 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@H]2CCCCS2)[C@H](C[NH3+])C1 ZINC000569558706 358772926 /nfs/dbraw/zinc/77/29/26/358772926.db2.gz IAFDJDUZDNVEMS-VXGBXAGGSA-N 2 2 286.445 0.556 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)s1 ZINC000562630576 291160994 /nfs/dbraw/zinc/16/09/94/291160994.db2.gz LTVSNZBOSKJYNO-SNVBAGLBSA-N 2 2 297.428 0.661 20 0 CCADLP Cc1nc(N(C)C)nc(NCc2ccc3c[nH+]cn3c2)[nH+]1 ZINC000569790304 358792718 /nfs/dbraw/zinc/79/27/18/358792718.db2.gz YLOXXUQAHQXHIQ-UHFFFAOYSA-N 2 2 283.339 0.928 20 0 CCADLP Cc1nc(NCc2ccc3c[nH+]cn3c2)nc(N(C)C)[nH+]1 ZINC000569790304 358792722 /nfs/dbraw/zinc/79/27/22/358792722.db2.gz YLOXXUQAHQXHIQ-UHFFFAOYSA-N 2 2 283.339 0.928 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C[C@H](C)O1 ZINC000569850372 358800612 /nfs/dbraw/zinc/80/06/12/358800612.db2.gz JKTRIIXTGBSDPB-YVECIDJPSA-N 2 2 269.389 0.291 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C[C@H](C)O1 ZINC000569850372 358800615 /nfs/dbraw/zinc/80/06/15/358800615.db2.gz JKTRIIXTGBSDPB-YVECIDJPSA-N 2 2 269.389 0.291 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000569939076 358807761 /nfs/dbraw/zinc/80/77/61/358807761.db2.gz HYUSMTSNBYOTCI-TZMCWYRMSA-N 2 2 294.399 0.503 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000569939076 358807762 /nfs/dbraw/zinc/80/77/62/358807762.db2.gz HYUSMTSNBYOTCI-TZMCWYRMSA-N 2 2 294.399 0.503 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N(C)CCC[NH3+] ZINC000570177826 358830746 /nfs/dbraw/zinc/83/07/46/358830746.db2.gz GEJFODRYIPBITE-UHFFFAOYSA-N 2 2 252.318 0.580 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CO)[C@@H]1C ZINC000570223500 358835830 /nfs/dbraw/zinc/83/58/30/358835830.db2.gz YQYXNVCRCYRIBP-IHRRRGAJSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CO)[C@@H]1C ZINC000570223500 358835834 /nfs/dbraw/zinc/83/58/34/358835834.db2.gz YQYXNVCRCYRIBP-IHRRRGAJSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](CO)[C@@H]1C ZINC000570223500 358835836 /nfs/dbraw/zinc/83/58/36/358835836.db2.gz YQYXNVCRCYRIBP-IHRRRGAJSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](CO)[C@@H]1C ZINC000570223500 358835839 /nfs/dbraw/zinc/83/58/39/358835839.db2.gz YQYXNVCRCYRIBP-IHRRRGAJSA-N 2 2 274.405 0.018 20 0 CCADLP COc1c(N)[nH+]cnc1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000571105760 358913194 /nfs/dbraw/zinc/91/31/94/358913194.db2.gz OKGRYAYKCLFIAC-VIFPVBQESA-N 2 2 263.345 0.386 20 0 CCADLP COc1c(N)[nH+]cnc1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000571105760 358913196 /nfs/dbraw/zinc/91/31/96/358913196.db2.gz OKGRYAYKCLFIAC-VIFPVBQESA-N 2 2 263.345 0.386 20 0 CCADLP COc1c(N)nc[nH+]c1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000571105760 358913199 /nfs/dbraw/zinc/91/31/99/358913199.db2.gz OKGRYAYKCLFIAC-VIFPVBQESA-N 2 2 263.345 0.386 20 0 CCADLP COc1c(N)nc[nH+]c1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000571105760 358913202 /nfs/dbraw/zinc/91/32/02/358913202.db2.gz OKGRYAYKCLFIAC-VIFPVBQESA-N 2 2 263.345 0.386 20 0 CCADLP [NH3+][C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1cscn1 ZINC000570675205 358882539 /nfs/dbraw/zinc/88/25/39/358882539.db2.gz WCNDUBPCCIAUQD-YWVKMMECSA-N 2 2 266.370 0.496 20 0 CCADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CC(C)(C)O)CC1 ZINC000570763388 358891404 /nfs/dbraw/zinc/89/14/04/358891404.db2.gz LUPZRIKEPRTFCJ-LBPRGKRZSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@H]1COCC[N@H+]1C1CC[NH+](CC(C)(C)O)CC1 ZINC000570763388 358891411 /nfs/dbraw/zinc/89/14/11/358891411.db2.gz 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CSCC[C@@H](C)N(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593908789 360205353 /nfs/dbraw/zinc/20/53/53/360205353.db2.gz DOGLVEGDCSEKHG-MNOVXSKESA-N 2 2 261.435 0.865 20 0 CCADLP COC(=O)c1cc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)ccc1C ZINC000593908630 360205685 /nfs/dbraw/zinc/20/56/85/360205685.db2.gz BKVLDWHUNQAZHB-CYBMUJFWSA-N 2 2 293.367 0.999 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](C)[NH+](C)C)[C@@H](C)C1 ZINC000611407661 363714045 /nfs/dbraw/zinc/71/40/45/363714045.db2.gz UEKZXLVCCSGVNV-RYUDHWBXSA-N 2 2 285.388 0.032 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H](C)[NH+](C)C)[C@@H](C)C1 ZINC000611407661 363714050 /nfs/dbraw/zinc/71/40/50/363714050.db2.gz UEKZXLVCCSGVNV-RYUDHWBXSA-N 2 2 285.388 0.032 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](C)[NH+](C)C)[C@H](C)C1 ZINC000611407660 363714133 /nfs/dbraw/zinc/71/41/33/363714133.db2.gz UEKZXLVCCSGVNV-NEPJUHHUSA-N 2 2 285.388 0.032 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H](C)[NH+](C)C)[C@H](C)C1 ZINC000611407660 363714139 /nfs/dbraw/zinc/71/41/39/363714139.db2.gz UEKZXLVCCSGVNV-NEPJUHHUSA-N 2 2 285.388 0.032 20 0 CCADLP Cn1cc(CC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cn1 ZINC000177116194 189030072 /nfs/dbraw/zinc/03/00/72/189030072.db2.gz QKUWTQGUOLVYFA-UHFFFAOYSA-N 2 2 293.415 0.105 20 0 CCADLP c1cc2n(n1)C[C@H](C[NH2+][C@@H]1CC[N@H+](CC3CC3)C1)CN2 ZINC000595143323 360443008 /nfs/dbraw/zinc/44/30/08/360443008.db2.gz ANTPDWMNDRCGMU-ZIAGYGMSSA-N 2 2 275.400 0.999 20 0 CCADLP c1cc2n(n1)C[C@H](C[NH2+][C@@H]1CC[N@@H+](CC3CC3)C1)CN2 ZINC000595143323 360443011 /nfs/dbraw/zinc/44/30/11/360443011.db2.gz ANTPDWMNDRCGMU-ZIAGYGMSSA-N 2 2 275.400 0.999 20 0 CCADLP c1cc2n(n1)C[C@H](C[NH2+][C@@H]1CC[N@@H+](C3CC3)C1)CN2 ZINC000595148518 360444750 /nfs/dbraw/zinc/44/47/50/360444750.db2.gz YAHVACCTCHWCKH-VXGBXAGGSA-N 2 2 261.373 0.751 20 0 CCADLP c1cc2n(n1)C[C@H](C[NH2+][C@@H]1CC[N@H+](C3CC3)C1)CN2 ZINC000595148518 360444758 /nfs/dbraw/zinc/44/47/58/360444758.db2.gz YAHVACCTCHWCKH-VXGBXAGGSA-N 2 2 261.373 0.751 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3cc(C4CC4)no3)CCN2C1=O ZINC000594876391 360406754 /nfs/dbraw/zinc/40/67/54/360406754.db2.gz XCXWMXUSGAYNQA-PWSUYJOCSA-N 2 2 276.340 0.296 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3cc(C4CC4)no3)CCN2C1=O ZINC000594876391 360406760 /nfs/dbraw/zinc/40/67/60/360406760.db2.gz XCXWMXUSGAYNQA-PWSUYJOCSA-N 2 2 276.340 0.296 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595506730 360554092 /nfs/dbraw/zinc/55/40/92/360554092.db2.gz HBJKDEJOPJDKLY-AWEZNQCLSA-N 2 2 282.388 0.250 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595506730 360554098 /nfs/dbraw/zinc/55/40/98/360554098.db2.gz HBJKDEJOPJDKLY-AWEZNQCLSA-N 2 2 282.388 0.250 20 0 CCADLP CCNC(=O)NC(=O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595506730 360554104 /nfs/dbraw/zinc/55/41/04/360554104.db2.gz HBJKDEJOPJDKLY-AWEZNQCLSA-N 2 2 282.388 0.250 20 0 CCADLP CCNC(=O)NC(=O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595506730 360554107 /nfs/dbraw/zinc/55/41/07/360554107.db2.gz HBJKDEJOPJDKLY-AWEZNQCLSA-N 2 2 282.388 0.250 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595506731 360554175 /nfs/dbraw/zinc/55/41/75/360554175.db2.gz HBJKDEJOPJDKLY-CQSZACIVSA-N 2 2 282.388 0.250 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595506731 360554181 /nfs/dbraw/zinc/55/41/81/360554181.db2.gz HBJKDEJOPJDKLY-CQSZACIVSA-N 2 2 282.388 0.250 20 0 CCADLP CCNC(=O)NC(=O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595506731 360554187 /nfs/dbraw/zinc/55/41/87/360554187.db2.gz HBJKDEJOPJDKLY-CQSZACIVSA-N 2 2 282.388 0.250 20 0 CCADLP CCNC(=O)NC(=O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595506731 360554191 /nfs/dbraw/zinc/55/41/91/360554191.db2.gz HBJKDEJOPJDKLY-CQSZACIVSA-N 2 2 282.388 0.250 20 0 CCADLP COC(=O)CC[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000595512786 360558187 /nfs/dbraw/zinc/55/81/87/360558187.db2.gz YLGKNWAYBGUQOD-UHFFFAOYSA-N 2 2 272.389 0.622 20 0 CCADLP C[NH2+]C1CC[NH+]([C@@H]2CCCN(CCC(=O)OC)C2=O)CC1 ZINC000595893020 360694084 /nfs/dbraw/zinc/69/40/84/360694084.db2.gz PGNDWLGDOLBIOD-CYBMUJFWSA-N 2 2 297.399 0.224 20 0 CCADLP COC[C@]1(C(=O)OC)CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000595904672 360699408 /nfs/dbraw/zinc/69/94/08/360699408.db2.gz KJPKZKGDPPRPCY-YPMHNXCESA-N 2 2 256.346 0.250 20 0 CCADLP COC[C@]1(C(=O)OC)CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000595904672 360699412 /nfs/dbraw/zinc/69/94/12/360699412.db2.gz KJPKZKGDPPRPCY-YPMHNXCESA-N 2 2 256.346 0.250 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)c2csc(C[NH3+])n2)C[C@H]1C ZINC000178775874 189145211 /nfs/dbraw/zinc/14/52/11/189145211.db2.gz WLTMOVVFMLIXEP-SNVBAGLBSA-N 2 2 298.412 0.395 20 0 CCADLP COCC[N@H+]1CCN(C(=O)c2csc(C[NH3+])n2)C[C@H]1C ZINC000178775874 189145212 /nfs/dbraw/zinc/14/52/12/189145212.db2.gz WLTMOVVFMLIXEP-SNVBAGLBSA-N 2 2 298.412 0.395 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)N1CC[N@H+](CCC(=O)OC)[C@H](C)C1 ZINC000595955758 360732589 /nfs/dbraw/zinc/73/25/89/360732589.db2.gz HVMYENCGYJETGW-VXGBXAGGSA-N 2 2 285.388 0.080 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)N1CC[N@@H+](CCC(=O)OC)[C@H](C)C1 ZINC000595955758 360732591 /nfs/dbraw/zinc/73/25/91/360732591.db2.gz HVMYENCGYJETGW-VXGBXAGGSA-N 2 2 285.388 0.080 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCCOCC2CC2)[C@@H](C[NH3+])C1 ZINC000563559829 291238277 /nfs/dbraw/zinc/23/82/77/291238277.db2.gz FCAAMEHPDTUOSX-ZDUSSCGKSA-N 2 2 284.404 0.087 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCCOCC2CC2)[C@@H](C[NH3+])C1 ZINC000563559829 291238278 /nfs/dbraw/zinc/23/82/78/291238278.db2.gz FCAAMEHPDTUOSX-ZDUSSCGKSA-N 2 2 284.404 0.087 20 0 CCADLP CCOC[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C(C)C ZINC000563593720 291240018 /nfs/dbraw/zinc/24/00/18/291240018.db2.gz PBTQCZRRKIDNGO-STQMWFEESA-N 2 2 286.420 0.332 20 0 CCADLP CCOC[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C(C)C ZINC000563593720 291240019 /nfs/dbraw/zinc/24/00/19/291240019.db2.gz PBTQCZRRKIDNGO-STQMWFEESA-N 2 2 286.420 0.332 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)S(C)(=O)=O ZINC000563691371 291246790 /nfs/dbraw/zinc/24/67/90/291246790.db2.gz DCUADLYVHGYBKS-YVECIDJPSA-N 2 2 274.430 0.882 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)S(C)(=O)=O ZINC000563691371 291246792 /nfs/dbraw/zinc/24/67/92/291246792.db2.gz DCUADLYVHGYBKS-YVECIDJPSA-N 2 2 274.430 0.882 20 0 CCADLP C[C@H](CNC(=O)/C=C/c1[nH]cc[nH+]1)C[NH+]1CCN(C)CC1 ZINC000493803749 238392241 /nfs/dbraw/zinc/39/22/41/238392241.db2.gz QCLVFWPJLAWFKJ-ITDFMYJTSA-N 2 2 291.399 0.423 20 0 CCADLP CNS(=O)(=O)CC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000621259919 366686729 /nfs/dbraw/zinc/68/67/29/366686729.db2.gz MNMGFKZEUIBEIY-LBPRGKRZSA-N 2 2 277.434 0.342 20 0 CCADLP CNS(=O)(=O)CC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000621259919 366686737 /nfs/dbraw/zinc/68/67/37/366686737.db2.gz MNMGFKZEUIBEIY-LBPRGKRZSA-N 2 2 277.434 0.342 20 0 CCADLP CNS(=O)(=O)CC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000621259919 366686741 /nfs/dbraw/zinc/68/67/41/366686741.db2.gz MNMGFKZEUIBEIY-LBPRGKRZSA-N 2 2 277.434 0.342 20 0 CCADLP CNS(=O)(=O)CC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000621259919 366686745 /nfs/dbraw/zinc/68/67/45/366686745.db2.gz MNMGFKZEUIBEIY-LBPRGKRZSA-N 2 2 277.434 0.342 20 0 CCADLP CSC[C@H](C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000597989307 361298286 /nfs/dbraw/zinc/29/82/86/361298286.db2.gz CHUNNMQOFBEVJQ-LBPRGKRZSA-N 2 2 275.462 0.985 20 0 CCADLP CSC[C@H](C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000597989307 361298291 /nfs/dbraw/zinc/29/82/91/361298291.db2.gz CHUNNMQOFBEVJQ-LBPRGKRZSA-N 2 2 275.462 0.985 20 0 CCADLP CCOc1cncc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)c1 ZINC000621335488 366738406 /nfs/dbraw/zinc/73/84/06/366738406.db2.gz OAUFZCDQPSVFGI-AWEZNQCLSA-N 2 2 278.400 0.816 20 0 CCADLP CCOc1cncc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000621335488 366738410 /nfs/dbraw/zinc/73/84/10/366738410.db2.gz OAUFZCDQPSVFGI-AWEZNQCLSA-N 2 2 278.400 0.816 20 0 CCADLP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000631824238 370690105 /nfs/dbraw/zinc/69/01/05/370690105.db2.gz ZELWJKXULLGBOU-BFHYXJOUSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000631824238 370690110 /nfs/dbraw/zinc/69/01/10/370690110.db2.gz ZELWJKXULLGBOU-BFHYXJOUSA-N 2 2 281.400 0.308 20 0 CCADLP Cn1c2cc(C[N@@H+]3CCCO[C@@H](C[NH3+])C3)ccc2oc1=O ZINC000631828373 370694211 /nfs/dbraw/zinc/69/42/11/370694211.db2.gz NITXLUKAANUDSS-LBPRGKRZSA-N 2 2 291.351 0.681 20 0 CCADLP Cn1c2cc(C[N@H+]3CCCO[C@@H](C[NH3+])C3)ccc2oc1=O ZINC000631828373 370694216 /nfs/dbraw/zinc/69/42/16/370694216.db2.gz NITXLUKAANUDSS-LBPRGKRZSA-N 2 2 291.351 0.681 20 0 CCADLP CCC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000182721752 189332676 /nfs/dbraw/zinc/33/26/76/189332676.db2.gz LZWGXPCDKRMOKY-NEPJUHHUSA-N 2 2 262.357 0.904 20 0 CCADLP C[N@H+]1CCN(C(=O)NC2Cc3ccccc3C2)[C@@H](C[NH3+])C1 ZINC000564186739 291268634 /nfs/dbraw/zinc/26/86/34/291268634.db2.gz BCJOWSXEFKXLBL-HNNXBMFYSA-N 2 2 288.395 0.438 20 0 CCADLP COCC1(O)C[NH+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000564300316 291273307 /nfs/dbraw/zinc/27/33/07/291273307.db2.gz CAVMVRGYZTXMRS-UHFFFAOYSA-N 2 2 288.351 0.769 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000183546478 189361806 /nfs/dbraw/zinc/36/18/06/189361806.db2.gz IEXAZOXXVGESNO-NSHDSACASA-N 2 2 278.356 0.208 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000183546478 189361807 /nfs/dbraw/zinc/36/18/07/189361807.db2.gz IEXAZOXXVGESNO-NSHDSACASA-N 2 2 278.356 0.208 20 0 CCADLP CC[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])[C@H]1CCCCO1 ZINC000655976035 412722785 /nfs/dbraw/zinc/72/27/85/412722785.db2.gz XYMMYOWMRQNYMA-HZSPNIEDSA-N 2 2 298.431 0.618 20 0 CCADLP CC[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])[C@H]1CCCCO1 ZINC000655976035 412722787 /nfs/dbraw/zinc/72/27/87/412722787.db2.gz XYMMYOWMRQNYMA-HZSPNIEDSA-N 2 2 298.431 0.618 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000599301412 361641399 /nfs/dbraw/zinc/64/13/99/361641399.db2.gz UYIYXHLKAKKFKM-LSDHHAIUSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH+]1CCOCC1 ZINC000599301412 361641404 /nfs/dbraw/zinc/64/14/04/361641404.db2.gz UYIYXHLKAKKFKM-LSDHHAIUSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN[C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H](C)O1 ZINC000564562713 291284338 /nfs/dbraw/zinc/28/43/38/291284338.db2.gz DVPLTQRGCALFKW-IXYNUQLISA-N 2 2 297.443 0.283 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN[C@@H]2CC[N@H+](C3CC3)C2)C[C@@H](C)O1 ZINC000564562713 291284344 /nfs/dbraw/zinc/28/43/44/291284344.db2.gz DVPLTQRGCALFKW-IXYNUQLISA-N 2 2 297.443 0.283 20 0 CCADLP CCOC(=O)C[C@@H](O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000599431747 361697938 /nfs/dbraw/zinc/69/79/38/361697938.db2.gz BQRRXMHNRNTUTK-UKRRQHHQSA-N 2 2 284.400 0.718 20 0 CCADLP CCOC(=O)C[C@@H](O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000599431747 361697943 /nfs/dbraw/zinc/69/79/43/361697943.db2.gz BQRRXMHNRNTUTK-UKRRQHHQSA-N 2 2 284.400 0.718 20 0 CCADLP CCOC(=O)C[C@@H](O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000599431747 361697948 /nfs/dbraw/zinc/69/79/48/361697948.db2.gz BQRRXMHNRNTUTK-UKRRQHHQSA-N 2 2 284.400 0.718 20 0 CCADLP CCOC(=O)C[C@@H](O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000599431747 361697951 /nfs/dbraw/zinc/69/79/51/361697951.db2.gz BQRRXMHNRNTUTK-UKRRQHHQSA-N 2 2 284.400 0.718 20 0 CCADLP CN1CC[NH+](C[C@@H](O)CNCC2([NH+](C)C)CCCC2)CC1 ZINC000564651362 291290720 /nfs/dbraw/zinc/29/07/20/291290720.db2.gz IPXQXDYNKBAPMB-HNNXBMFYSA-N 2 2 298.475 0.059 20 0 CCADLP CN(C)C1(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CCCC1 ZINC000564651362 291290721 /nfs/dbraw/zinc/29/07/21/291290721.db2.gz IPXQXDYNKBAPMB-HNNXBMFYSA-N 2 2 298.475 0.059 20 0 CCADLP C[C@@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1c[nH+]ccc1N ZINC000564662214 291292229 /nfs/dbraw/zinc/29/22/29/291292229.db2.gz VPWHIIJALFBOHB-ZJUUUORDSA-N 2 2 284.385 0.179 20 0 CCADLP CN(C)C(=O)OC1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000495797735 239393189 /nfs/dbraw/zinc/39/31/89/239393189.db2.gz HIDKLSRLRAEGGR-ZDUSSCGKSA-N 2 2 299.415 0.604 20 0 CCADLP CN(C)C(=O)OC1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000495797735 239393195 /nfs/dbraw/zinc/39/31/95/239393195.db2.gz HIDKLSRLRAEGGR-ZDUSSCGKSA-N 2 2 299.415 0.604 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)N[C@H]1CC13CC[NH2+]CC3)CC2 ZINC000612978703 364065158 /nfs/dbraw/zinc/06/51/58/364065158.db2.gz AJOAXKPFNKDBRE-LBPRGKRZSA-N 2 2 289.383 0.859 20 0 CCADLP C[C@H](C(=O)N1CCCC[C@@H]1CC[NH3+])[NH+]1CCN(C)CC1 ZINC000564803446 291302126 /nfs/dbraw/zinc/30/21/26/291302126.db2.gz MDGYIKJIPRZHAN-ZIAGYGMSSA-N 2 2 282.432 0.352 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631832318 370699041 /nfs/dbraw/zinc/69/90/41/370699041.db2.gz CWEXQHAVFQLZNF-CHWSQXEVSA-N 2 2 271.405 0.731 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631832318 370699044 /nfs/dbraw/zinc/69/90/44/370699044.db2.gz CWEXQHAVFQLZNF-CHWSQXEVSA-N 2 2 271.405 0.731 20 0 CCADLP [NH3+][C@@H]1CCCCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000631835017 370700864 /nfs/dbraw/zinc/70/08/64/370700864.db2.gz KMLMKHGVBWZIRM-CYBMUJFWSA-N 3 2 268.405 0.012 20 0 CCADLP [NH3+][C@@H]1CCCCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000631835017 370700868 /nfs/dbraw/zinc/70/08/68/370700868.db2.gz KMLMKHGVBWZIRM-CYBMUJFWSA-N 3 2 268.405 0.012 20 0 CCADLP C[C@@H](c1nnnn1C1CC1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837108 370701952 /nfs/dbraw/zinc/70/19/52/370701952.db2.gz MYGCYMFDROUEJQ-KXUCPTDWSA-N 2 2 250.350 0.596 20 0 CCADLP C[C@@H](c1nnnn1C1CC1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837108 370701955 /nfs/dbraw/zinc/70/19/55/370701955.db2.gz MYGCYMFDROUEJQ-KXUCPTDWSA-N 2 2 250.350 0.596 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2CCCCC[C@@H]([NH3+])C2)CCO1 ZINC000631835800 370702196 /nfs/dbraw/zinc/70/21/96/370702196.db2.gz XYIOWJQNLIRSMH-ZIAGYGMSSA-N 2 2 255.406 0.910 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2CCCCC[C@@H]([NH3+])C2)CCO1 ZINC000631835800 370702200 /nfs/dbraw/zinc/70/22/00/370702200.db2.gz XYIOWJQNLIRSMH-ZIAGYGMSSA-N 2 2 255.406 0.910 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000564798848 291301672 /nfs/dbraw/zinc/30/16/72/291301672.db2.gz XCUWHROCDQQNRZ-RKDXNWHRSA-N 2 2 280.328 0.271 20 0 CCADLP C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631866639 370725934 /nfs/dbraw/zinc/72/59/34/370725934.db2.gz UNPYSNBDKVLYKW-CQSZACIVSA-N 2 2 297.443 0.680 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCC(=O)Nc1ccccn1 ZINC000564825464 291303413 /nfs/dbraw/zinc/30/34/13/291303413.db2.gz IYWUBGPZHUINQU-QWHCGFSZSA-N 2 2 292.383 0.767 20 0 CCADLP O=c1n(CC[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)nc2ccccn21 ZINC000631868782 370728229 /nfs/dbraw/zinc/72/82/29/370728229.db2.gz PGTHTMYIBFMJIU-DOMZBBRYSA-N 2 2 287.367 0.228 20 0 CCADLP CS(=O)(=O)CCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631887135 370738618 /nfs/dbraw/zinc/73/86/18/370738618.db2.gz MHDSEZQNPJVIPH-VXGBXAGGSA-N 2 2 260.403 0.495 20 0 CCADLP CS(=O)(=O)CCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631887135 370738620 /nfs/dbraw/zinc/73/86/20/370738620.db2.gz MHDSEZQNPJVIPH-VXGBXAGGSA-N 2 2 260.403 0.495 20 0 CCADLP c1nc2n(n1)[C@H](C[N@@H+]1CCC[C@H]3C[NH2+]CC[C@@H]31)CC2 ZINC000631890323 370740084 /nfs/dbraw/zinc/74/00/84/370740084.db2.gz OUKDVXYVEILYTA-AVGNSLFASA-N 2 2 261.373 0.839 20 0 CCADLP c1nc2n(n1)[C@H](C[N@H+]1CCC[C@H]3C[NH2+]CC[C@@H]31)CC2 ZINC000631890323 370740088 /nfs/dbraw/zinc/74/00/88/370740088.db2.gz OUKDVXYVEILYTA-AVGNSLFASA-N 2 2 261.373 0.839 20 0 CCADLP C[N@H+](C[C@H](O)CNCc1c[nH+]c2n1CCCC2)C1CC1 ZINC000564869791 291309399 /nfs/dbraw/zinc/30/93/99/291309399.db2.gz IKWVNOOIHXJJNT-CQSZACIVSA-N 2 2 278.400 0.764 20 0 CCADLP C[N@@H+](C[C@H](O)CNCc1c[nH+]c2n1CCCC2)C1CC1 ZINC000564869791 291309400 /nfs/dbraw/zinc/30/94/00/291309400.db2.gz IKWVNOOIHXJJNT-CQSZACIVSA-N 2 2 278.400 0.764 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000613803885 364380307 /nfs/dbraw/zinc/38/03/07/364380307.db2.gz NZRGEFHPEWZFDE-CHWSQXEVSA-N 2 2 292.383 0.362 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[N@H+]1CCCOCC1 ZINC000613803885 364380314 /nfs/dbraw/zinc/38/03/14/364380314.db2.gz NZRGEFHPEWZFDE-CHWSQXEVSA-N 2 2 292.383 0.362 20 0 CCADLP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000564904914 291313227 /nfs/dbraw/zinc/31/32/27/291313227.db2.gz FMQJLRMTHHHMKH-WPRPVWTQSA-N 2 2 254.359 0.353 20 0 CCADLP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000564904914 291313228 /nfs/dbraw/zinc/31/32/28/291313228.db2.gz FMQJLRMTHHHMKH-WPRPVWTQSA-N 2 2 254.359 0.353 20 0 CCADLP C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCn3cc[nH+]c3C1)C2 ZINC000614032932 364466279 /nfs/dbraw/zinc/46/62/79/364466279.db2.gz DDSFAHVRCKLXQZ-LBPRGKRZSA-N 2 2 274.368 0.610 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000614064108 364481969 /nfs/dbraw/zinc/48/19/69/364481969.db2.gz BMIYPJZAFJLLQA-AWEZNQCLSA-N 2 2 280.372 0.257 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621780935 366865049 /nfs/dbraw/zinc/86/50/49/366865049.db2.gz XLJQKKNHPNDBSJ-GZBFAFLISA-N 2 2 283.416 0.731 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621780935 366865052 /nfs/dbraw/zinc/86/50/52/366865052.db2.gz XLJQKKNHPNDBSJ-GZBFAFLISA-N 2 2 283.416 0.731 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621780934 366865124 /nfs/dbraw/zinc/86/51/24/366865124.db2.gz XLJQKKNHPNDBSJ-GUTXKFCHSA-N 2 2 283.416 0.731 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621780934 366865128 /nfs/dbraw/zinc/86/51/28/366865128.db2.gz XLJQKKNHPNDBSJ-GUTXKFCHSA-N 2 2 283.416 0.731 20 0 CCADLP [NH3+][C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000191370148 189593663 /nfs/dbraw/zinc/59/36/63/189593663.db2.gz DTDXCEDRXURLSF-GFCCVEGCSA-N 2 2 271.324 0.831 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000564941461 291322047 /nfs/dbraw/zinc/32/20/47/291322047.db2.gz APWQLAZZYXPIBJ-IUODEOHRSA-N 2 2 299.415 0.505 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000564941461 291322050 /nfs/dbraw/zinc/32/20/50/291322050.db2.gz APWQLAZZYXPIBJ-IUODEOHRSA-N 2 2 299.415 0.505 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000335643068 212359015 /nfs/dbraw/zinc/35/90/15/212359015.db2.gz MMMRWHRLAUOSIS-AAEUAGOBSA-N 2 2 283.351 0.615 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000335642305 212357636 /nfs/dbraw/zinc/35/76/36/212357636.db2.gz YLRSLPGWXVFOAF-WDEREUQCSA-N 2 2 265.361 0.795 20 0 CCADLP Cc1ccn2cc(CNC(=O)N3CC[C@H]([NH3+])C3)[nH+]c2c1 ZINC000335636230 212351756 /nfs/dbraw/zinc/35/17/56/212351756.db2.gz ZJPWQOLXFGWVAM-NSHDSACASA-N 2 2 273.340 0.885 20 0 CCADLP COCc1noc([C@H](C)[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)n1 ZINC000564987890 291331819 /nfs/dbraw/zinc/33/18/19/291331819.db2.gz RQQPQNGLNVCNHC-LPEHRKFASA-N 2 2 254.334 0.946 20 0 CCADLP COCc1noc([C@H](C)[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)n1 ZINC000564987890 291331822 /nfs/dbraw/zinc/33/18/22/291331822.db2.gz RQQPQNGLNVCNHC-LPEHRKFASA-N 2 2 254.334 0.946 20 0 CCADLP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000615314902 364918822 /nfs/dbraw/zinc/91/88/22/364918822.db2.gz QGMQECDDGXDLCZ-KGLIPLIRSA-N 2 2 295.427 0.792 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCCOC(=O)NC(N)=O)C1 ZINC000496688737 240323398 /nfs/dbraw/zinc/32/33/98/240323398.db2.gz CGBQNLIGRQRGRX-JTQLQIEISA-N 2 2 295.343 0.404 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCCOC(=O)NC(N)=O)C1 ZINC000496688737 240323418 /nfs/dbraw/zinc/32/34/18/240323418.db2.gz CGBQNLIGRQRGRX-JTQLQIEISA-N 2 2 295.343 0.404 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615534593 364994459 /nfs/dbraw/zinc/99/44/59/364994459.db2.gz KTFGZZHAOMKZKK-CYBMUJFWSA-N 2 2 278.356 0.206 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000616868181 365465045 /nfs/dbraw/zinc/46/50/45/365465045.db2.gz IODSQHDPCZNZCB-CYBMUJFWSA-N 2 2 296.415 0.938 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000616868181 365465046 /nfs/dbraw/zinc/46/50/46/365465046.db2.gz IODSQHDPCZNZCB-CYBMUJFWSA-N 2 2 296.415 0.938 20 0 CCADLP CC(C)[NH2+]CC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000565249677 291366928 /nfs/dbraw/zinc/36/69/28/291366928.db2.gz LBAFAIBZGYANDZ-UHFFFAOYSA-N 2 2 292.383 0.532 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1c(O)cccc1O ZINC000622144735 367057487 /nfs/dbraw/zinc/05/74/87/367057487.db2.gz YDWLSIORKUGVRM-UHFFFAOYSA-N 2 2 295.383 0.711 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1c(O)cccc1O ZINC000622144735 367057492 /nfs/dbraw/zinc/05/74/92/367057492.db2.gz YDWLSIORKUGVRM-UHFFFAOYSA-N 2 2 295.383 0.711 20 0 CCADLP COc1c(N)[nH+]cnc1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000656148802 412750573 /nfs/dbraw/zinc/75/05/73/412750573.db2.gz GTLCUPIJILNNDZ-NSHDSACASA-N 2 2 293.371 0.733 20 0 CCADLP COc1c(N)nc[nH+]c1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000656148802 412750581 /nfs/dbraw/zinc/75/05/81/412750581.db2.gz GTLCUPIJILNNDZ-NSHDSACASA-N 2 2 293.371 0.733 20 0 CCADLP C[NH+](C)Cc1ccc(C(=O)NCc2c[nH+]c[nH]2)cn1 ZINC000622384566 367141797 /nfs/dbraw/zinc/14/17/97/367141797.db2.gz KPANXRZJIQEMAZ-UHFFFAOYSA-N 2 2 259.313 0.796 20 0 CCADLP C[NH+](C)Cc1ccc(C(=O)NCc2c[nH]c[nH+]2)cn1 ZINC000622384566 367141803 /nfs/dbraw/zinc/14/18/03/367141803.db2.gz KPANXRZJIQEMAZ-UHFFFAOYSA-N 2 2 259.313 0.796 20 0 CCADLP Cn1c2ccccc2nc1CN1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000566230463 291379791 /nfs/dbraw/zinc/37/97/91/291379791.db2.gz YQKKLDQVQMRCMU-GFCCVEGCSA-N 2 2 273.384 0.648 20 0 CCADLP Cn1c2ccccc2nc1CN1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000566230463 291379793 /nfs/dbraw/zinc/37/97/93/291379793.db2.gz YQKKLDQVQMRCMU-GFCCVEGCSA-N 2 2 273.384 0.648 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623255175 367491288 /nfs/dbraw/zinc/49/12/88/367491288.db2.gz RXMVAOKIJTVNBK-LLVKDONJSA-N 2 2 285.351 0.700 20 0 CCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000623381508 367551589 /nfs/dbraw/zinc/55/15/89/367551589.db2.gz WZZFODLDJSRRMF-UBHSHLNASA-N 2 2 265.401 0.785 20 0 CCADLP CC[C@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CCO1 ZINC000623619689 367607046 /nfs/dbraw/zinc/60/70/46/367607046.db2.gz SFUILSBVGJZNRQ-IHRRRGAJSA-N 2 2 283.416 0.873 20 0 CCADLP CC[C@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CCO1 ZINC000623619689 367607050 /nfs/dbraw/zinc/60/70/50/367607050.db2.gz SFUILSBVGJZNRQ-IHRRRGAJSA-N 2 2 283.416 0.873 20 0 CCADLP C[N@H+](CCNC(=O)NC[C@H]1COCC[NH+]1C)C1CCCC1 ZINC000623576532 367595320 /nfs/dbraw/zinc/59/53/20/367595320.db2.gz BDAZCTKKHUCNGK-AWEZNQCLSA-N 2 2 298.431 0.491 20 0 CCADLP C[N@@H+](CCNC(=O)NC[C@H]1COCC[NH+]1C)C1CCCC1 ZINC000623576532 367595324 /nfs/dbraw/zinc/59/53/24/367595324.db2.gz BDAZCTKKHUCNGK-AWEZNQCLSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+](CCNC(=O)NC[C@H]1COCC[N@@H+]1C)C1CCCC1 ZINC000623576532 367595333 /nfs/dbraw/zinc/59/53/33/367595333.db2.gz BDAZCTKKHUCNGK-AWEZNQCLSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+](CCNC(=O)NC[C@H]1COCC[N@H+]1C)C1CCCC1 ZINC000623576532 367595340 /nfs/dbraw/zinc/59/53/40/367595340.db2.gz BDAZCTKKHUCNGK-AWEZNQCLSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000566351673 291396534 /nfs/dbraw/zinc/39/65/34/291396534.db2.gz WXWDCJWYBDJSET-JKSUJKDBSA-N 2 2 278.396 0.900 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000566351673 291396535 /nfs/dbraw/zinc/39/65/35/291396535.db2.gz WXWDCJWYBDJSET-JKSUJKDBSA-N 2 2 278.396 0.900 20 0 CCADLP O[C@H]1CC[N@H+](CC[NH2+]Cc2ccccc2-n2cncn2)C1 ZINC000623836900 367672959 /nfs/dbraw/zinc/67/29/59/367672959.db2.gz OGULVQDOBRQXLD-AWEZNQCLSA-N 2 2 287.367 0.424 20 0 CCADLP O[C@H]1CC[N@@H+](CC[NH2+]Cc2ccccc2-n2cncn2)C1 ZINC000623836900 367672966 /nfs/dbraw/zinc/67/29/66/367672966.db2.gz OGULVQDOBRQXLD-AWEZNQCLSA-N 2 2 287.367 0.424 20 0 CCADLP O[C@H]1CC[N@H+](CC[NH2+]Cc2cccc3n[nH]cc32)C1 ZINC000623839414 367677199 /nfs/dbraw/zinc/67/71/99/367677199.db2.gz XAOKZBZEKLELPJ-LBPRGKRZSA-N 2 2 260.341 0.719 20 0 CCADLP O[C@H]1CC[N@@H+](CC[NH2+]Cc2cccc3n[nH]cc32)C1 ZINC000623839414 367677202 /nfs/dbraw/zinc/67/72/02/367677202.db2.gz XAOKZBZEKLELPJ-LBPRGKRZSA-N 2 2 260.341 0.719 20 0 CCADLP CC[N@@H+]1CC[C@@H](N(C)c2nc(N)nc(N)[nH+]2)C[C@@H]1C ZINC000623988376 367717031 /nfs/dbraw/zinc/71/70/31/367717031.db2.gz HDYKKTKNPHRLRZ-DTWKUNHWSA-N 2 2 265.365 0.006 20 0 CCADLP CC[N@H+]1CC[C@@H](N(C)c2nc(N)nc(N)[nH+]2)C[C@@H]1C ZINC000623988376 367717035 /nfs/dbraw/zinc/71/70/35/367717035.db2.gz HDYKKTKNPHRLRZ-DTWKUNHWSA-N 2 2 265.365 0.006 20 0 CCADLP Cc1nccnc1[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000275914809 193162008 /nfs/dbraw/zinc/16/20/08/193162008.db2.gz VAGYFMSUZLKVPV-AAEUAGOBSA-N 2 2 291.399 0.775 20 0 CCADLP Cc1nccnc1[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000275914809 193162009 /nfs/dbraw/zinc/16/20/09/193162009.db2.gz VAGYFMSUZLKVPV-AAEUAGOBSA-N 2 2 291.399 0.775 20 0 CCADLP C[C@]1(F)C[NH2+]CCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000336212378 291404001 /nfs/dbraw/zinc/40/40/01/291404001.db2.gz SDHDTXOZTULDJH-ZBFHGGJFSA-N 2 2 291.370 0.861 20 0 CCADLP CCc1nc(NC[C@@H]2COCC[N@@H+]2C)cc(C)[nH+]1 ZINC000624621083 367932228 /nfs/dbraw/zinc/93/22/28/367932228.db2.gz SZMNSFFLNAHFGC-LLVKDONJSA-N 2 2 250.346 0.512 20 0 CCADLP CCc1nc(NC[C@@H]2COCC[N@H+]2C)cc(C)[nH+]1 ZINC000624621083 367932234 /nfs/dbraw/zinc/93/22/34/367932234.db2.gz SZMNSFFLNAHFGC-LLVKDONJSA-N 2 2 250.346 0.512 20 0 CCADLP CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000624740578 367977582 /nfs/dbraw/zinc/97/75/82/367977582.db2.gz RYJHFXOLHPVAKQ-KGLIPLIRSA-N 2 2 298.431 0.348 20 0 CCADLP CC[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000624740578 367977591 /nfs/dbraw/zinc/97/75/91/367977591.db2.gz RYJHFXOLHPVAKQ-KGLIPLIRSA-N 2 2 298.431 0.348 20 0 CCADLP CC[NH+]1CCC[C@H](CNC(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000624740578 367977601 /nfs/dbraw/zinc/97/76/01/367977601.db2.gz RYJHFXOLHPVAKQ-KGLIPLIRSA-N 2 2 298.431 0.348 20 0 CCADLP CC[NH+]1CCC[C@H](CNC(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000624740578 367977611 /nfs/dbraw/zinc/97/76/11/367977611.db2.gz RYJHFXOLHPVAKQ-KGLIPLIRSA-N 2 2 298.431 0.348 20 0 CCADLP Cc1nccnc1[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000275946439 193170264 /nfs/dbraw/zinc/17/02/64/193170264.db2.gz ZXBLDQCVSVWRNW-STQMWFEESA-N 2 2 264.373 0.892 20 0 CCADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2cnns2)CC1 ZINC000625289584 368137426 /nfs/dbraw/zinc/13/74/26/368137426.db2.gz RTNCPSKWDPUPIF-UHFFFAOYSA-N 2 2 298.412 0.197 20 0 CCADLP [NH3+]CCCOCCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000625885380 368357027 /nfs/dbraw/zinc/35/70/27/368357027.db2.gz YPAJSRYNRMMICR-UHFFFAOYSA-N 2 2 277.328 0.821 20 0 CCADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@H](O)COC)CC1 ZINC000626088285 368436460 /nfs/dbraw/zinc/43/64/60/368436460.db2.gz RRYWPUDDEIJLNQ-AWEZNQCLSA-N 2 2 286.416 0.571 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000626495202 368564672 /nfs/dbraw/zinc/56/46/72/368564672.db2.gz OXKDRVLFTAJGLB-CYBMUJFWSA-N 2 2 293.415 0.334 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000626495202 368564681 /nfs/dbraw/zinc/56/46/81/368564681.db2.gz OXKDRVLFTAJGLB-CYBMUJFWSA-N 2 2 293.415 0.334 20 0 CCADLP C[C@@H](C(=O)NCCc1c[nH+]cn1C)[NH+]1CC(C)C1 ZINC000566925009 291447879 /nfs/dbraw/zinc/44/78/79/291447879.db2.gz WZXKZSWGODEHHE-NSHDSACASA-N 2 2 250.346 0.419 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000627184200 368853223 /nfs/dbraw/zinc/85/32/23/368853223.db2.gz TXBLMMNBWMNWOE-FQUUOJAGSA-N 2 2 296.415 0.086 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000627184200 368853229 /nfs/dbraw/zinc/85/32/29/368853229.db2.gz TXBLMMNBWMNWOE-FQUUOJAGSA-N 2 2 296.415 0.086 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000627184185 368853950 /nfs/dbraw/zinc/85/39/50/368853950.db2.gz SRBNYHBNHXQUPY-ZFWWWQNUSA-N 2 2 296.415 0.102 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000627184185 368853953 /nfs/dbraw/zinc/85/39/53/368853953.db2.gz SRBNYHBNHXQUPY-ZFWWWQNUSA-N 2 2 296.415 0.102 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@H]21 ZINC000627652603 369065991 /nfs/dbraw/zinc/06/59/91/369065991.db2.gz MLRVXDPBXVBCJV-CIQGVGRVSA-N 2 2 274.368 0.464 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000330692177 203123199 /nfs/dbraw/zinc/12/31/99/203123199.db2.gz ZOEPREBMDDGPGH-WDEREUQCSA-N 2 2 250.346 0.512 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(Cc2[nH]c(C)c(C)[nH+]2)CC1 ZINC000628186015 369206860 /nfs/dbraw/zinc/20/68/60/369206860.db2.gz URUGKGPYNFBJRL-CYBMUJFWSA-N 2 2 266.389 0.915 20 0 CCADLP Cc1[nH]c(CN(CC[NH+](C)C)CC[NH+](C)C)[nH+]c1C ZINC000628278729 369232281 /nfs/dbraw/zinc/23/22/81/369232281.db2.gz DOWLLYVSYRHXOD-UHFFFAOYSA-N 3 2 267.421 0.952 20 0 CCADLP OCC[NH+](CCO)C1CC[NH+](Cc2ccncc2)CC1 ZINC000628369743 369251830 /nfs/dbraw/zinc/25/18/30/369251830.db2.gz XCIVCODYLSVNKE-UHFFFAOYSA-N 2 2 279.384 0.333 20 0 CCADLP CC(=O)[C@](C)(O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330829826 203286300 /nfs/dbraw/zinc/28/63/00/203286300.db2.gz GQHNCRPZXDQRHE-CYBMUJFWSA-N 2 2 251.330 0.929 20 0 CCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628911907 369443540 /nfs/dbraw/zinc/44/35/40/369443540.db2.gz CULUCPMHSDCZRW-QWHCGFSZSA-N 2 2 294.399 0.843 20 0 CCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628911907 369443542 /nfs/dbraw/zinc/44/35/42/369443542.db2.gz CULUCPMHSDCZRW-QWHCGFSZSA-N 2 2 294.399 0.843 20 0 CCADLP CC(C)[NH+]1CCC(C(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000628914455 369450709 /nfs/dbraw/zinc/45/07/09/369450709.db2.gz MJZSVTMCABXGQH-AWEZNQCLSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)[NH+]1CCC(C(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000628914455 369450716 /nfs/dbraw/zinc/45/07/16/369450716.db2.gz MJZSVTMCABXGQH-AWEZNQCLSA-N 2 2 283.416 0.554 20 0 CCADLP CN(CCC(=O)NC[C@@H]1COCC[N@@H+]1C)c1cc[nH+]cc1 ZINC000628920985 369465525 /nfs/dbraw/zinc/46/55/25/369465525.db2.gz ZMMAROFUUQPXMQ-CQSZACIVSA-N 2 2 292.383 0.355 20 0 CCADLP CN(CCC(=O)NC[C@@H]1COCC[N@H+]1C)c1cc[nH+]cc1 ZINC000628920985 369465533 /nfs/dbraw/zinc/46/55/33/369465533.db2.gz ZMMAROFUUQPXMQ-CQSZACIVSA-N 2 2 292.383 0.355 20 0 CCADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N=c1ccn(CC[NH+](C)C)[nH]1 ZINC000330893205 203361174 /nfs/dbraw/zinc/36/11/74/203361174.db2.gz LAPHZYSAYNOLBA-STQMWFEESA-N 2 2 293.415 0.678 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(=O)N(C)C)[nH]2)C[NH2+]1 ZINC000629412854 369667167 /nfs/dbraw/zinc/66/71/67/369667167.db2.gz LHCOZIAILAIJLN-MNOVXSKESA-N 2 2 264.373 0.947 20 0 CCADLP Cn1cc(C[NH2+][C@@H]2CC[NH2+]C2)c(-c2ccncc2)n1 ZINC000629409199 369667397 /nfs/dbraw/zinc/66/73/97/369667397.db2.gz BRSVAEASHVXVJR-CYBMUJFWSA-N 2 2 257.341 0.934 20 0 CCADLP CC[N@H+](CC[NH3+])Cc1ccc(S(=O)(=O)NC)cc1 ZINC000629559427 369708853 /nfs/dbraw/zinc/70/88/53/369708853.db2.gz RDQURIJHWSOLJS-UHFFFAOYSA-N 2 2 271.386 0.375 20 0 CCADLP CC[N@@H+](CC[NH3+])Cc1ccc(S(=O)(=O)NC)cc1 ZINC000629559427 369708856 /nfs/dbraw/zinc/70/88/56/369708856.db2.gz RDQURIJHWSOLJS-UHFFFAOYSA-N 2 2 271.386 0.375 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)NCC2CC2)CC[C@@H]1C(F)(F)F ZINC000629562051 369709915 /nfs/dbraw/zinc/70/99/15/369709915.db2.gz LHBDTPBOOHCJGS-MNOVXSKESA-N 2 2 293.333 0.972 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NCC2CC2)CC[C@@H]1C(F)(F)F ZINC000629562051 369709924 /nfs/dbraw/zinc/70/99/24/369709924.db2.gz LHBDTPBOOHCJGS-MNOVXSKESA-N 2 2 293.333 0.972 20 0 CCADLP O[C@@H](C[NH2+]CCCNc1cccc[nH+]1)C[NH+]1CCCC1 ZINC000629567558 369711735 /nfs/dbraw/zinc/71/17/35/369711735.db2.gz YJKXEONSASSNDY-AWEZNQCLSA-N 3 2 278.400 0.930 20 0 CCADLP O[C@H](C[NH2+]CCCNc1cccc[nH+]1)C[NH+]1CCCC1 ZINC000629567563 369712324 /nfs/dbraw/zinc/71/23/24/369712324.db2.gz YJKXEONSASSNDY-CQSZACIVSA-N 3 2 278.400 0.930 20 0 CCADLP C[C@H]([NH3+])C1CC[NH+](CCS(=O)(=O)c2ccccn2)CC1 ZINC000629510232 369686690 /nfs/dbraw/zinc/68/66/90/369686690.db2.gz BBRDNBTVTIDEEH-LBPRGKRZSA-N 2 2 297.424 0.915 20 0 CCADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCS(=O)(=O)c1ccccn1 ZINC000629535259 369695115 /nfs/dbraw/zinc/69/51/15/369695115.db2.gz DYFCRWPHNFRHKG-GFCCVEGCSA-N 2 2 297.424 0.833 20 0 CCADLP CNC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629561200 369707848 /nfs/dbraw/zinc/70/78/48/369707848.db2.gz GSRCZPMQQSPRFX-JGVFFNPUSA-N 2 2 253.268 0.192 20 0 CCADLP CNC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629561200 369707853 /nfs/dbraw/zinc/70/78/53/369707853.db2.gz GSRCZPMQQSPRFX-JGVFFNPUSA-N 2 2 253.268 0.192 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]CC1(O)CCCC1 ZINC000629610004 369740177 /nfs/dbraw/zinc/74/01/77/369740177.db2.gz ZBDWYWMFSGGJBD-LBPRGKRZSA-N 2 2 269.389 0.221 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]CC1(O)CCCC1 ZINC000629610004 369740182 /nfs/dbraw/zinc/74/01/82/369740182.db2.gz ZBDWYWMFSGGJBD-LBPRGKRZSA-N 2 2 269.389 0.221 20 0 CCADLP CN(C)c1ncc(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cn1 ZINC000629664518 369750811 /nfs/dbraw/zinc/75/08/11/369750811.db2.gz KBCKACAUVGDFMJ-GASCZTMLSA-N 2 2 275.400 0.974 20 0 CCADLP CN(C)c1ncc(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cn1 ZINC000629664518 369750814 /nfs/dbraw/zinc/75/08/14/369750814.db2.gz KBCKACAUVGDFMJ-GASCZTMLSA-N 2 2 275.400 0.974 20 0 CCADLP CCS(=O)(=O)C1(C[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000629584898 369727935 /nfs/dbraw/zinc/72/79/35/369727935.db2.gz FNBFSCPLJDSJEO-LBPRGKRZSA-N 2 2 290.429 0.000 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585094 369729990 /nfs/dbraw/zinc/72/99/90/369729990.db2.gz JYWCOMVNBOOYOK-IYBDPMFKSA-N 2 2 297.443 0.851 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585094 369729994 /nfs/dbraw/zinc/72/99/94/369729994.db2.gz JYWCOMVNBOOYOK-IYBDPMFKSA-N 2 2 297.443 0.851 20 0 CCADLP CCN(CC)C(=O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629593189 369732854 /nfs/dbraw/zinc/73/28/54/369732854.db2.gz HRFDRXPOKJEHER-OKILXGFUSA-N 2 2 253.390 0.786 20 0 CCADLP CCN(CC)C(=O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629593189 369732857 /nfs/dbraw/zinc/73/28/57/369732857.db2.gz HRFDRXPOKJEHER-OKILXGFUSA-N 2 2 253.390 0.786 20 0 CCADLP C[NH+](C)Cc1ccsc1C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629914392 369824501 /nfs/dbraw/zinc/82/45/01/369824501.db2.gz RDUVUWHKWQANTP-LBPRGKRZSA-N 2 2 297.424 0.606 20 0 CCADLP C[NH+](C)Cc1ccsc1C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629914392 369824506 /nfs/dbraw/zinc/82/45/06/369824506.db2.gz RDUVUWHKWQANTP-LBPRGKRZSA-N 2 2 297.424 0.606 20 0 CCADLP C[NH2+]C1(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCC1 ZINC000630000849 369884929 /nfs/dbraw/zinc/88/49/29/369884929.db2.gz SLAQWWWZYKWPES-LLVKDONJSA-N 2 2 262.357 0.704 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000630087953 369946690 /nfs/dbraw/zinc/94/66/90/369946690.db2.gz GVFVBPAUUGENKP-CYBMUJFWSA-N 2 2 281.400 0.309 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000630087953 369946697 /nfs/dbraw/zinc/94/66/97/369946697.db2.gz GVFVBPAUUGENKP-CYBMUJFWSA-N 2 2 281.400 0.309 20 0 CCADLP CCc1cc(NC[C@@H]2COCC[NH2+]2)nc(-c2ccncc2)[nH+]1 ZINC000630532283 370151724 /nfs/dbraw/zinc/15/17/24/370151724.db2.gz HMIJTHITPVMYQP-CQSZACIVSA-N 2 2 299.378 0.923 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)CC1 ZINC000336516473 213394796 /nfs/dbraw/zinc/39/47/96/213394796.db2.gz CDHLFFZSUKRIOU-WCQYABFASA-N 2 2 287.354 0.738 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)CC1 ZINC000336516473 213394799 /nfs/dbraw/zinc/39/47/99/213394799.db2.gz CDHLFFZSUKRIOU-WCQYABFASA-N 2 2 287.354 0.738 20 0 CCADLP Cc1cn(CC(=O)NCC(C)(C)[NH+]2CCOCC2)c(C)[nH+]1 ZINC000631014997 370358344 /nfs/dbraw/zinc/35/83/44/370358344.db2.gz YZRNJXWYVKDZOJ-UHFFFAOYSA-N 2 2 294.399 0.727 20 0 CCADLP Cc1nc(N2CCC(OCC[NH+](C)C)CC2)nc(N)[nH+]1 ZINC000631117138 370389734 /nfs/dbraw/zinc/38/97/34/370389734.db2.gz XCUUHBMOISLNTA-UHFFFAOYSA-N 2 2 280.376 0.140 20 0 CCADLP Cc1nc(N)nc(N2CCC(OCC[NH+](C)C)CC2)[nH+]1 ZINC000631117138 370389740 /nfs/dbraw/zinc/38/97/40/370389740.db2.gz XCUUHBMOISLNTA-UHFFFAOYSA-N 2 2 280.376 0.140 20 0 CCADLP Cc1nc(N(C)CC[NH+]2CCCCC2)nc(N)[nH+]1 ZINC000631332963 370478821 /nfs/dbraw/zinc/47/88/21/370478821.db2.gz TXGJYGHHKBBNJW-UHFFFAOYSA-N 2 2 250.350 0.515 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000631577924 370597643 /nfs/dbraw/zinc/59/76/43/370597643.db2.gz YCEUXOZREHQCGH-QEJZJMRPSA-N 2 2 293.411 0.308 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000633030103 371366342 /nfs/dbraw/zinc/36/63/42/371366342.db2.gz ZJIWUVGXSBCWPV-NXEZZACHSA-N 2 2 292.339 0.082 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000633042951 371374933 /nfs/dbraw/zinc/37/49/33/371374933.db2.gz WUBKPXBFQFXDGU-ZJUUUORDSA-N 2 2 287.323 0.221 20 0 CCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)NCCc1cn(C)c[nH+]1 ZINC000633823505 371713480 /nfs/dbraw/zinc/71/34/80/371713480.db2.gz LUGFTPBUDJOKMF-CYBMUJFWSA-N 2 2 279.388 0.746 20 0 CCADLP Cc1cc(C)c(CNC(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c[nH+]1 ZINC000633716328 371697217 /nfs/dbraw/zinc/69/72/17/371697217.db2.gz VEQVBXDPWFWJRW-TZMCWYRMSA-N 2 2 292.383 0.956 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000337357240 214026607 /nfs/dbraw/zinc/02/66/07/214026607.db2.gz CSDKDWDGTATPGZ-NEPJUHHUSA-N 2 2 252.362 0.307 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000337357240 214026610 /nfs/dbraw/zinc/02/66/10/214026610.db2.gz CSDKDWDGTATPGZ-NEPJUHHUSA-N 2 2 252.362 0.307 20 0 CCADLP c1c(CC[NH+]2CCOCC2)nnn1-c1cc[nH+]cc1 ZINC000656440615 412794970 /nfs/dbraw/zinc/79/49/70/412794970.db2.gz KZRPJZSXBJCIGM-UHFFFAOYSA-N 2 2 259.313 0.537 20 0 CCADLP COCCn1cc(C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cn1 ZINC000634733880 372178109 /nfs/dbraw/zinc/17/81/09/372178109.db2.gz QLCYVZUZMYWRAV-KGLIPLIRSA-N 2 2 264.373 0.761 20 0 CCADLP CN(c1cc(N2CCOCC2)[nH+]cn1)[C@H](C[NH3+])C1CC1 ZINC000634811812 372256287 /nfs/dbraw/zinc/25/62/87/372256287.db2.gz RCTVOTRIELUQEW-GFCCVEGCSA-N 2 2 277.372 0.487 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634991963 372326853 /nfs/dbraw/zinc/32/68/53/372326853.db2.gz YBWVSWAZZXIUQJ-FUJMWEONSA-N 2 2 292.427 0.023 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635313690 372456442 /nfs/dbraw/zinc/45/64/42/372456442.db2.gz NGWLMTLQYHVTSP-ZFWWWQNUSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635313690 372456449 /nfs/dbraw/zinc/45/64/49/372456449.db2.gz NGWLMTLQYHVTSP-ZFWWWQNUSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC000635466597 372535616 /nfs/dbraw/zinc/53/56/16/372535616.db2.gz WVRPOIKDCHXWMI-LBPRGKRZSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC000635466597 372535625 /nfs/dbraw/zinc/53/56/25/372535625.db2.gz WVRPOIKDCHXWMI-LBPRGKRZSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)C[C@@H]2CC[NH+](C)C2)CCO1 ZINC000635465400 372535905 /nfs/dbraw/zinc/53/59/05/372535905.db2.gz MVINMQMNGQMARK-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)C[C@@H]2CC[NH+](C)C2)CCO1 ZINC000635465400 372535913 /nfs/dbraw/zinc/53/59/13/372535913.db2.gz MVINMQMNGQMARK-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CCO1 ZINC000635465400 372535922 /nfs/dbraw/zinc/53/59/22/372535922.db2.gz MVINMQMNGQMARK-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC000635465400 372535931 /nfs/dbraw/zinc/53/59/31/372535931.db2.gz MVINMQMNGQMARK-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635480119 372546044 /nfs/dbraw/zinc/54/60/44/372546044.db2.gz XFLACJPEDPCKFZ-CYBMUJFWSA-N 2 2 269.389 0.119 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635480119 372546048 /nfs/dbraw/zinc/54/60/48/372546048.db2.gz XFLACJPEDPCKFZ-CYBMUJFWSA-N 2 2 269.389 0.119 20 0 CCADLP CC[N@H+](C)CCNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000105197662 284334828 /nfs/dbraw/zinc/33/48/28/284334828.db2.gz LJVSYAWYQBPDBN-QWHCGFSZSA-N 2 2 286.420 0.347 20 0 CCADLP CC[N@@H+](C)CCNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000105197662 284334829 /nfs/dbraw/zinc/33/48/29/284334829.db2.gz LJVSYAWYQBPDBN-QWHCGFSZSA-N 2 2 286.420 0.347 20 0 CCADLP CCc1c[nH]c(CC(=O)NCC[N@@H+]2CC[C@H](C)C2)[nH+]1 ZINC000635634969 372708744 /nfs/dbraw/zinc/70/87/44/372708744.db2.gz ISGBALKCNZFQHR-NSHDSACASA-N 2 2 264.373 0.973 20 0 CCADLP CCc1c[nH]c(CC(=O)NCC[N@H+]2CC[C@H](C)C2)[nH+]1 ZINC000635634969 372708747 /nfs/dbraw/zinc/70/87/47/372708747.db2.gz ISGBALKCNZFQHR-NSHDSACASA-N 2 2 264.373 0.973 20 0 CCADLP CC(C)(CNC(=O)NC[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000333137021 205062044 /nfs/dbraw/zinc/06/20/44/205062044.db2.gz CNBGQAIOKFBWAL-ZDUSSCGKSA-N 2 2 298.431 0.396 20 0 CCADLP Cc1cc(NC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)cc[nH+]1 ZINC000333157310 205078038 /nfs/dbraw/zinc/07/80/38/205078038.db2.gz LIEFAGJPEDHSQQ-NEPJUHHUSA-N 2 2 260.341 0.885 20 0 CCADLP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCc1cn(C)c[nH+]1 ZINC000333259237 205161871 /nfs/dbraw/zinc/16/18/71/205161871.db2.gz CGPCBTFJTOYULJ-TZMCWYRMSA-N 2 2 291.399 0.841 20 0 CCADLP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCc1cn(C)c[nH+]1 ZINC000333259237 205161875 /nfs/dbraw/zinc/16/18/75/205161875.db2.gz CGPCBTFJTOYULJ-TZMCWYRMSA-N 2 2 291.399 0.841 20 0 CCADLP c1cc(N[C@@H]2CCCOC2)nc(NCC[NH+]2CCCC2)[nH+]1 ZINC000333264961 205166532 /nfs/dbraw/zinc/16/65/32/205166532.db2.gz MSSFMAUVBUNWHO-CYBMUJFWSA-N 2 2 291.399 0.997 20 0 CCADLP C[C@@H](NC(=O)N[C@H]1CCC[NH2+]C1)[C@@H](C)[NH+]1CCOCC1 ZINC000333366403 205257653 /nfs/dbraw/zinc/25/76/53/205257653.db2.gz LVMDBPAHWJZTLD-UPJWGTAASA-N 2 2 284.404 0.147 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC000635870029 373027437 /nfs/dbraw/zinc/02/74/37/373027437.db2.gz RCNFFRMIWXSEOT-ZDUSSCGKSA-N 2 2 283.416 0.507 20 0 CCADLP Cc1nc(N)c(CNC(=O)C[N@@H+](C)CC(C)(C)C)c[nH+]1 ZINC000635921706 373109690 /nfs/dbraw/zinc/10/96/90/373109690.db2.gz NBHBYCCIRNWYGX-UHFFFAOYSA-N 2 2 279.388 0.792 20 0 CCADLP Cc1nc(N)c(CNC(=O)C[N@H+](C)CC(C)(C)C)c[nH+]1 ZINC000635921706 373109698 /nfs/dbraw/zinc/10/96/98/373109698.db2.gz NBHBYCCIRNWYGX-UHFFFAOYSA-N 2 2 279.388 0.792 20 0 CCADLP C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC000635954579 373154574 /nfs/dbraw/zinc/15/45/74/373154574.db2.gz NKGGGRRDZOECGU-SBFPOUOMSA-N 2 2 260.341 0.676 20 0 CCADLP C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC000635954579 373154577 /nfs/dbraw/zinc/15/45/77/373154577.db2.gz NKGGGRRDZOECGU-SBFPOUOMSA-N 2 2 260.341 0.676 20 0 CCADLP C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC000635954579 373154581 /nfs/dbraw/zinc/15/45/81/373154581.db2.gz NKGGGRRDZOECGU-SBFPOUOMSA-N 2 2 260.341 0.676 20 0 CCADLP C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC000635954579 373154584 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CCADLP CC(C)C[C@@H](C(=O)NCC[N@H+]1CC[C@H](O)C1)n1cc[nH+]c1 ZINC000636292218 373527981 /nfs/dbraw/zinc/52/79/81/373527981.db2.gz QXZNQIBYXDSXJH-KBPBESRZSA-N 2 2 294.399 0.653 20 0 CCADLP Cc1cc[nH+]cc1CCC[NH+]1CCN(C(=O)[C@@H](C)O)CC1 ZINC000289534054 197393668 /nfs/dbraw/zinc/39/36/68/197393668.db2.gz GTTRXBQYCLKUHD-CQSZACIVSA-N 2 2 291.395 0.848 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637259420 374055031 /nfs/dbraw/zinc/05/50/31/374055031.db2.gz DJGZBVJAZNQBGL-NWDGAFQWSA-N 2 2 291.399 0.980 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637259420 374055037 /nfs/dbraw/zinc/05/50/37/374055037.db2.gz DJGZBVJAZNQBGL-NWDGAFQWSA-N 2 2 291.399 0.980 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[N@H+](C)CCc1c[nH+]cn1C ZINC000289502577 197379988 /nfs/dbraw/zinc/37/99/88/197379988.db2.gz DPXRJQAFUNLBSV-NSHDSACASA-N 2 2 273.402 0.718 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[N@@H+](C)CCc1c[nH+]cn1C ZINC000289502577 197379990 /nfs/dbraw/zinc/37/99/90/197379990.db2.gz DPXRJQAFUNLBSV-NSHDSACASA-N 2 2 273.402 0.718 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NC[C@H]1CCC[NH+]1C ZINC000637379386 374127821 /nfs/dbraw/zinc/12/78/21/374127821.db2.gz FBWXJCTVPCVRGC-HZSPNIEDSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NC[C@H]1CCC[NH+]1C ZINC000637379386 374127825 /nfs/dbraw/zinc/12/78/25/374127825.db2.gz FBWXJCTVPCVRGC-HZSPNIEDSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[NH+]1CCNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000637379386 374127828 /nfs/dbraw/zinc/12/78/28/374127828.db2.gz FBWXJCTVPCVRGC-HZSPNIEDSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[NH+]1CCNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000637379386 374127832 /nfs/dbraw/zinc/12/78/32/374127832.db2.gz FBWXJCTVPCVRGC-HZSPNIEDSA-N 2 2 298.431 0.489 20 0 CCADLP CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000637441917 374160270 /nfs/dbraw/zinc/16/02/70/374160270.db2.gz CARPCXUFPINTGO-KBPBESRZSA-N 2 2 298.431 0.489 20 0 CCADLP CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000637441917 374160276 /nfs/dbraw/zinc/16/02/76/374160276.db2.gz CARPCXUFPINTGO-KBPBESRZSA-N 2 2 298.431 0.489 20 0 CCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000637441919 374161104 /nfs/dbraw/zinc/16/11/04/374161104.db2.gz CARPCXUFPINTGO-KGLIPLIRSA-N 2 2 298.431 0.489 20 0 CCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000637441919 374161112 /nfs/dbraw/zinc/16/11/12/374161112.db2.gz CARPCXUFPINTGO-KGLIPLIRSA-N 2 2 298.431 0.489 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000334136670 206046101 /nfs/dbraw/zinc/04/61/01/206046101.db2.gz YYIJJZMPWLLILC-CYBMUJFWSA-N 2 2 296.415 0.245 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000334136670 206046103 /nfs/dbraw/zinc/04/61/03/206046103.db2.gz YYIJJZMPWLLILC-CYBMUJFWSA-N 2 2 296.415 0.245 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@@](C)(C[NH3+])C2CC2)[nH+]1 ZINC000637842508 374393781 /nfs/dbraw/zinc/39/37/81/374393781.db2.gz QNMLHHQLZWGPGX-ZDUSSCGKSA-N 2 2 250.346 0.758 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CCC(OCCC[NH3+])CC2)[nH+]1 ZINC000637863657 374425353 /nfs/dbraw/zinc/42/53/53/374425353.db2.gz FOFHGQSDWVWOEI-UHFFFAOYSA-N 2 2 294.399 0.871 20 0 CCADLP CC(C)(C)CC[NH+]1CCN(Cc2c[nH+]c(N)nc2N)CC1 ZINC000637961534 374509231 /nfs/dbraw/zinc/50/92/31/374509231.db2.gz YEBMMPZVFFSPSA-UHFFFAOYSA-N 2 2 292.431 0.856 20 0 CCADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000638077967 374635371 /nfs/dbraw/zinc/63/53/71/374635371.db2.gz ZMEYAEZSCZWGDO-HUBLWGQQSA-N 2 2 292.383 0.883 20 0 CCADLP Cc1[nH+]c2n(c1C)CCN(C(=O)[C@]1(C)C[NH2+]CCO1)C2 ZINC000638096293 374659712 /nfs/dbraw/zinc/65/97/12/374659712.db2.gz HEAXWQBEKCDBBB-AWEZNQCLSA-N 2 2 278.356 0.221 20 0 CCADLP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000638102512 374667979 /nfs/dbraw/zinc/66/79/79/374667979.db2.gz UXVCWCYVDOQMGJ-MJBXVCDLSA-N 2 2 285.432 0.975 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000638113441 374680449 /nfs/dbraw/zinc/68/04/49/374680449.db2.gz BPQJFVSMZJHLTQ-MGPQQGTHSA-N 2 2 283.416 0.744 20 0 CCADLP CC[NH+](CC)C[C@H]1CCN(Cc2c[nH+]c(N)nc2N)C1 ZINC000638120774 374689067 /nfs/dbraw/zinc/68/90/67/374689067.db2.gz CGRQBPWASIHJKF-LLVKDONJSA-N 2 2 278.404 0.465 20 0 CCADLP COCC[NH2+]CCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000638153012 374723280 /nfs/dbraw/zinc/72/32/80/374723280.db2.gz NAGKVRDYFMQRMB-CYBMUJFWSA-N 2 2 282.388 0.823 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CCC(C)([NH3+])CC2)[nH+]1 ZINC000638196026 374776010 /nfs/dbraw/zinc/77/60/10/374776010.db2.gz NXQIMKQYTQSNOX-UHFFFAOYSA-N 2 2 250.346 0.854 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@H]2CCC[C@H]([NH3+])C2)[nH+]1 ZINC000638201730 374784729 /nfs/dbraw/zinc/78/47/29/374784729.db2.gz XEMPKLMCUOEFFM-ONGXEEELSA-N 2 2 250.346 0.901 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C)CC2 ZINC000638207629 374794032 /nfs/dbraw/zinc/79/40/32/374794032.db2.gz QJFFERBYKZQRDT-RWMBFGLXSA-N 2 2 276.384 0.963 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@@H]2C[NH2+]CCCO2)[nH+]1 ZINC000638268236 374868459 /nfs/dbraw/zinc/86/84/59/374868459.db2.gz XWWCDLLIQBSKNP-NSHDSACASA-N 2 2 266.345 0.009 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)[nH+]1 ZINC000638269421 374870152 /nfs/dbraw/zinc/87/01/52/374870152.db2.gz OKEBEFUGKBZZFU-KOLCDFICSA-N 2 2 250.346 0.758 20 0 CCADLP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NCc1c[nH+]c[nH]1 ZINC000638281400 374887170 /nfs/dbraw/zinc/88/71/70/374887170.db2.gz LVISBKICEPFBPD-SMDDNHRTSA-N 2 2 288.351 0.959 20 0 CCADLP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NCc1c[nH]c[nH+]1 ZINC000638281400 374887178 /nfs/dbraw/zinc/88/71/78/374887178.db2.gz LVISBKICEPFBPD-SMDDNHRTSA-N 2 2 288.351 0.959 20 0 CCADLP Cc1cn2ccc(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2[nH+]1 ZINC000638242822 374834757 /nfs/dbraw/zinc/83/47/57/374834757.db2.gz HPKIWBZGFBTQMQ-PJXYFTJBSA-N 2 2 256.309 0.590 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000638262623 374859670 /nfs/dbraw/zinc/85/96/70/374859670.db2.gz QIEPAGJEXFPYOV-LLVKDONJSA-N 2 2 250.346 0.909 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000638262623 374859679 /nfs/dbraw/zinc/85/96/79/374859679.db2.gz QIEPAGJEXFPYOV-LLVKDONJSA-N 2 2 250.346 0.909 20 0 CCADLP COC[C@@]1(C(=O)NCc2ccc[nH+]c2N(C)C)CC[NH2+]C1 ZINC000568624580 291608330 /nfs/dbraw/zinc/60/83/30/291608330.db2.gz QLYNOXZCJVRZHX-OAHLLOKOSA-N 2 2 292.383 0.390 20 0 CCADLP CC(C)C[C@H](CNCc1c[nH+]c(N)nc1N)[NH+](C)C ZINC000638349249 374947320 /nfs/dbraw/zinc/94/73/20/374947320.db2.gz IRWZPNWITRLBHD-LLVKDONJSA-N 2 2 266.393 0.368 20 0 CCADLP CO[C@H](C[NH2+][C@H](C)Cn1cc[nH+]c1)[C@@H]1CCOC1 ZINC000638358571 374956183 /nfs/dbraw/zinc/95/61/83/374956183.db2.gz FUTLSKSGOCCDPQ-JHJVBQTASA-N 2 2 253.346 0.913 20 0 CCADLP C[NH+](C)C1(CNCc2c[nH+]c(N)nc2N)CCCC1 ZINC000638307690 374911571 /nfs/dbraw/zinc/91/15/71/374911571.db2.gz RMGGDZFWTBVGHP-UHFFFAOYSA-N 2 2 264.377 0.266 20 0 CCADLP CO[C@H](C[NH2+]CC(=O)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000638439322 375041379 /nfs/dbraw/zinc/04/13/79/375041379.db2.gz FRXXFFAKALLIGC-OAHLLOKOSA-N 2 2 297.443 0.945 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000638433063 375032954 /nfs/dbraw/zinc/03/29/54/375032954.db2.gz VSLGOTHLHYTKRE-GXSJLCMTSA-N 2 2 250.346 0.478 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](OC)[C@@H]1CCOC1 ZINC000638511396 375101198 /nfs/dbraw/zinc/10/11/98/375101198.db2.gz ZYKOYRQJUIGXDY-KFWWJZLASA-N 2 2 286.416 0.738 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](OC)[C@@H]1CCOC1 ZINC000638511396 375101205 /nfs/dbraw/zinc/10/12/05/375101205.db2.gz ZYKOYRQJUIGXDY-KFWWJZLASA-N 2 2 286.416 0.738 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]CC1CCSCC1 ZINC000638596017 375177840 /nfs/dbraw/zinc/17/78/40/375177840.db2.gz CSWBZEUORWWZJM-ZDUSSCGKSA-N 2 2 257.447 0.965 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]CC1CCSCC1 ZINC000638596017 375177842 /nfs/dbraw/zinc/17/78/42/375177842.db2.gz CSWBZEUORWWZJM-ZDUSSCGKSA-N 2 2 257.447 0.965 20 0 CCADLP O=C(NC[C@H]1COCC[NH2+]1)C1CC[NH+](CC(F)F)CC1 ZINC000638616927 375209850 /nfs/dbraw/zinc/20/98/50/375209850.db2.gz QKJYTAPDGAGNTN-NSHDSACASA-N 2 2 291.342 0.068 20 0 CCADLP C[NH2+][C@@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000638730851 375325105 /nfs/dbraw/zinc/32/51/05/375325105.db2.gz GHCUECWTDWFWSW-GXTWGEPZSA-N 2 2 292.383 0.007 20 0 CCADLP C[NH2+][C@@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000638730851 375325108 /nfs/dbraw/zinc/32/51/08/375325108.db2.gz GHCUECWTDWFWSW-GXTWGEPZSA-N 2 2 292.383 0.007 20 0 CCADLP CO[C@H](C[NH2+]C[C@H](C)C[NH+]1CCOCC1)C1CC1 ZINC000638674820 375279336 /nfs/dbraw/zinc/27/93/36/375279336.db2.gz NYGDJTORZATRAC-GXTWGEPZSA-N 2 2 256.390 0.969 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C(F)F ZINC000638703370 375308616 /nfs/dbraw/zinc/30/86/16/375308616.db2.gz BEDCSGYWGFZAKL-VHSXEESVSA-N 2 2 263.332 0.912 20 0 CCADLP [NH3+]CCCOCCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000638661368 375263799 /nfs/dbraw/zinc/26/37/99/375263799.db2.gz NWXKVXQMFFLSJO-UHFFFAOYSA-N 2 2 262.313 0.430 20 0 CCADLP C[C@H](CC(=O)NCCOCCC[NH3+])n1cc[nH+]c1 ZINC000638663498 375267345 /nfs/dbraw/zinc/26/73/45/375267345.db2.gz MJKMHRGOHIVAFU-LLVKDONJSA-N 2 2 254.334 0.316 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000638780865 375353415 /nfs/dbraw/zinc/35/34/15/375353415.db2.gz UAZUKWOZACCWMP-VHSXEESVSA-N 2 2 272.312 0.143 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638984831 375497222 /nfs/dbraw/zinc/49/72/22/375497222.db2.gz SVWPPGLVBZKUQN-CYBMUJFWSA-N 3 2 277.372 0.413 20 0 CCADLP CC[NH2+][C@H](C)C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638984655 375497853 /nfs/dbraw/zinc/49/78/53/375497853.db2.gz YTDFMRDJDVCDMJ-LLVKDONJSA-N 3 2 277.372 0.428 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986895 375500014 /nfs/dbraw/zinc/50/00/14/375500014.db2.gz GVMDBPXSEDTTNS-OAHLLOKOSA-N 3 2 291.399 0.947 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639005040 375514321 /nfs/dbraw/zinc/51/43/21/375514321.db2.gz UFQJTRHYYFSQTQ-ZDUSSCGKSA-N 2 2 291.399 0.019 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000639022352 375527246 /nfs/dbraw/zinc/52/72/46/375527246.db2.gz GUMHHOGXKURLRL-TZMCWYRMSA-N 3 2 290.411 0.430 20 0 CCADLP Cn1c2ccccc2nc1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000639075870 375560740 /nfs/dbraw/zinc/56/07/40/375560740.db2.gz LYKSUEVDYPSXEQ-JTQLQIEISA-N 2 2 275.356 0.791 20 0 CCADLP C[C@H]1CN(Cc2c[nH+]c(N)nc2N)CC[N@@H+](C2CC2)C1 ZINC000639214870 375636070 /nfs/dbraw/zinc/63/60/70/375636070.db2.gz VOHYDDIPXAZNAX-JTQLQIEISA-N 2 2 276.388 0.218 20 0 CCADLP C[C@H]1CN(Cc2c[nH+]c(N)nc2N)CC[N@H+](C2CC2)C1 ZINC000639214870 375636076 /nfs/dbraw/zinc/63/60/76/375636076.db2.gz VOHYDDIPXAZNAX-JTQLQIEISA-N 2 2 276.388 0.218 20 0 CCADLP CO[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO)C1CC1 ZINC000639217098 375637465 /nfs/dbraw/zinc/63/74/65/375637465.db2.gz FNRYVNVWSVGPGX-KBPBESRZSA-N 2 2 256.390 0.848 20 0 CCADLP CO[C@@H](C[NH2+]C[C@@H]1CCC[N@H+]1CCCO)C1CC1 ZINC000639217098 375637471 /nfs/dbraw/zinc/63/74/71/375637471.db2.gz FNRYVNVWSVGPGX-KBPBESRZSA-N 2 2 256.390 0.848 20 0 CCADLP CO[C@@H](C[NH2+][C@@H]1CCC[N@H+](CCCO)C1)C1CC1 ZINC000639218694 375641486 /nfs/dbraw/zinc/64/14/86/375641486.db2.gz LSZMESOQQGRGLB-KGLIPLIRSA-N 2 2 256.390 0.848 20 0 CCADLP CO[C@@H](C[NH2+][C@@H]1CCC[N@@H+](CCCO)C1)C1CC1 ZINC000639218694 375641490 /nfs/dbraw/zinc/64/14/90/375641490.db2.gz LSZMESOQQGRGLB-KGLIPLIRSA-N 2 2 256.390 0.848 20 0 CCADLP CO[C@]1(C[NH2+][C@@H]2CCC[N@H+](CCCO)C2)CCOC1 ZINC000639219563 375643448 /nfs/dbraw/zinc/64/34/48/375643448.db2.gz RVISVIAYBXBAAS-KGLIPLIRSA-N 2 2 272.389 0.228 20 0 CCADLP CO[C@]1(C[NH2+][C@@H]2CCC[N@@H+](CCCO)C2)CCOC1 ZINC000639219563 375643449 /nfs/dbraw/zinc/64/34/49/375643449.db2.gz RVISVIAYBXBAAS-KGLIPLIRSA-N 2 2 272.389 0.228 20 0 CCADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]CCC[C@H]1CCO1 ZINC000639219937 375643526 /nfs/dbraw/zinc/64/35/26/375643526.db2.gz YWWAQUSMDGXDRY-KBPBESRZSA-N 2 2 256.390 0.992 20 0 CCADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]CCC[C@H]1CCO1 ZINC000639219937 375643529 /nfs/dbraw/zinc/64/35/29/375643529.db2.gz YWWAQUSMDGXDRY-KBPBESRZSA-N 2 2 256.390 0.992 20 0 CCADLP CO[C@H](C[NH2+]CCc1cn(C)c[nH+]1)[C@@H]1CCOC1 ZINC000639255942 375668497 /nfs/dbraw/zinc/66/84/97/375668497.db2.gz QQQKCFFTRFUSMQ-DGCLKSJQSA-N 2 2 253.346 0.604 20 0 CCADLP Cc1cccn2c(CN3CC[N@@H+](C)C[C@@H]3CO)c[nH+]c12 ZINC000639336567 375739784 /nfs/dbraw/zinc/73/97/84/375739784.db2.gz KPZGQKMAEQVEHX-CQSZACIVSA-N 2 2 274.368 0.751 20 0 CCADLP Cc1cccn2c(CN3CC[N@H+](C)C[C@@H]3CO)c[nH+]c12 ZINC000639336567 375739792 /nfs/dbraw/zinc/73/97/92/375739792.db2.gz KPZGQKMAEQVEHX-CQSZACIVSA-N 2 2 274.368 0.751 20 0 CCADLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cnc(N)nc2N)C1 ZINC000639348027 375748327 /nfs/dbraw/zinc/74/83/27/375748327.db2.gz SAZRZYRBJHNFIC-SNVBAGLBSA-N 2 2 264.377 0.123 20 0 CCADLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cnc(N)nc2N)C1 ZINC000639348027 375748336 /nfs/dbraw/zinc/74/83/36/375748336.db2.gz SAZRZYRBJHNFIC-SNVBAGLBSA-N 2 2 264.377 0.123 20 0 CCADLP CO[C@](C)(C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)C1CC1 ZINC000639350090 375751568 /nfs/dbraw/zinc/75/15/68/375751568.db2.gz USFBLOGSEHHXAW-DZGCQCFKSA-N 2 2 283.416 0.731 20 0 CCADLP CO[C@](C)(C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)C1CC1 ZINC000639350090 375751575 /nfs/dbraw/zinc/75/15/75/375751575.db2.gz USFBLOGSEHHXAW-DZGCQCFKSA-N 2 2 283.416 0.731 20 0 CCADLP CC(=O)N1CC[N@H+](CCc2c[nH+]cn2C)[C@@H](C)C1 ZINC000639517125 375820096 /nfs/dbraw/zinc/82/00/96/375820096.db2.gz DSRHOXZBAKGCNE-NSHDSACASA-N 2 2 250.346 0.515 20 0 CCADLP CC(=O)N1CC[N@@H+](CCc2c[nH+]cn2C)[C@@H](C)C1 ZINC000639517125 375820100 /nfs/dbraw/zinc/82/01/00/375820100.db2.gz DSRHOXZBAKGCNE-NSHDSACASA-N 2 2 250.346 0.515 20 0 CCADLP COCCOC[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000656702236 412843714 /nfs/dbraw/zinc/84/37/14/412843714.db2.gz MUFKDFZNOVLEBM-STQMWFEESA-N 2 2 274.405 0.473 20 0 CCADLP COCCOC[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000656702236 412843717 /nfs/dbraw/zinc/84/37/17/412843717.db2.gz MUFKDFZNOVLEBM-STQMWFEESA-N 2 2 274.405 0.473 20 0 CCADLP C[NH+]1CCC2(CC[N@H+](CC(=O)Nc3nncs3)C2)CC1 ZINC000639758872 375981612 /nfs/dbraw/zinc/98/16/12/375981612.db2.gz XZNDRVFGWUNYFM-UHFFFAOYSA-N 2 2 295.412 0.894 20 0 CCADLP C[NH+]1CCC2(CC[N@@H+](CC(=O)Nc3nncs3)C2)CC1 ZINC000639758872 375981620 /nfs/dbraw/zinc/98/16/20/375981620.db2.gz XZNDRVFGWUNYFM-UHFFFAOYSA-N 2 2 295.412 0.894 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCn2ccccc2=O)C1 ZINC000639768995 376000243 /nfs/dbraw/zinc/00/02/43/376000243.db2.gz VUCHNBRJWNRGKT-OAHLLOKOSA-N 2 2 279.384 0.237 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCn2ccccc2=O)C1 ZINC000639768995 376000247 /nfs/dbraw/zinc/00/02/47/376000247.db2.gz VUCHNBRJWNRGKT-OAHLLOKOSA-N 2 2 279.384 0.237 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000639769664 376001828 /nfs/dbraw/zinc/00/18/28/376001828.db2.gz ZTKJETHVXVTYRQ-NXEZZACHSA-N 2 2 270.295 0.298 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000639769664 376001834 /nfs/dbraw/zinc/00/18/34/376001834.db2.gz ZTKJETHVXVTYRQ-NXEZZACHSA-N 2 2 270.295 0.298 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2cn[nH]c2)CC1 ZINC000639782375 376008125 /nfs/dbraw/zinc/00/81/25/376008125.db2.gz VEDJRTLBYJMWOK-CYBMUJFWSA-N 2 2 277.372 0.321 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2cn[nH]c2)CC1 ZINC000639782375 376008127 /nfs/dbraw/zinc/00/81/27/376008127.db2.gz VEDJRTLBYJMWOK-CYBMUJFWSA-N 2 2 277.372 0.321 20 0 CCADLP COc1cccc(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)n1 ZINC000639761287 375985986 /nfs/dbraw/zinc/98/59/86/375985986.db2.gz LXDZIEPLZQZWRS-OAHLLOKOSA-N 2 2 279.384 0.979 20 0 CCADLP COc1cccc(C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)n1 ZINC000639761287 375985988 /nfs/dbraw/zinc/98/59/88/375985988.db2.gz LXDZIEPLZQZWRS-OAHLLOKOSA-N 2 2 279.384 0.979 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCOC[C@H]2CCCO2)C1 ZINC000639761046 375986064 /nfs/dbraw/zinc/98/60/64/375986064.db2.gz FEYPYKBYDFLNQZ-HUUCEWRRSA-N 2 2 286.416 0.571 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCOC[C@H]2CCCO2)C1 ZINC000639761046 375986068 /nfs/dbraw/zinc/98/60/68/375986068.db2.gz FEYPYKBYDFLNQZ-HUUCEWRRSA-N 2 2 286.416 0.571 20 0 CCADLP C[C@H]1CC[C@H](C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)O1 ZINC000640051473 376216689 /nfs/dbraw/zinc/21/66/89/376216689.db2.gz NRJIWYBERYHNPX-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@H]1CC[C@H](C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)O1 ZINC000640051473 376216692 /nfs/dbraw/zinc/21/66/92/376216692.db2.gz NRJIWYBERYHNPX-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP Cc1[nH]c(CN(C)CC(=O)N2CC[NH+](C)CC2)[nH+]c1C ZINC000640059491 376222201 /nfs/dbraw/zinc/22/22/01/376222201.db2.gz ALMXZJYRTNOZAL-UHFFFAOYSA-N 2 2 279.388 0.232 20 0 CCADLP C[NH2+]CCC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000262618986 190058781 /nfs/dbraw/zinc/05/87/81/190058781.db2.gz ZIYGFZPCCXCSCK-UHFFFAOYSA-N 2 2 262.357 0.908 20 0 CCADLP CN(C)c1cc(NC(=O)N2CC[NH+](CCO)CC2)cc[nH+]1 ZINC000640603645 376456581 /nfs/dbraw/zinc/45/65/81/376456581.db2.gz CJSNNSYERBRRIK-UHFFFAOYSA-N 2 2 293.371 0.289 20 0 CCADLP CC[N@H+]1[C@H](C)CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000640607506 376461200 /nfs/dbraw/zinc/46/12/00/376461200.db2.gz NPDXRKKZSVXYKQ-TXEJJXNPSA-N 2 2 264.373 0.904 20 0 CCADLP CC[N@@H+]1[C@H](C)CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000640607506 376461204 /nfs/dbraw/zinc/46/12/04/376461204.db2.gz NPDXRKKZSVXYKQ-TXEJJXNPSA-N 2 2 264.373 0.904 20 0 CCADLP CN(C)c1cc(NC(=O)N2CC([NH+](C)C)C2)cc[nH+]1 ZINC000640611378 376463835 /nfs/dbraw/zinc/46/38/35/376463835.db2.gz RNPQCKQUYSEQAE-UHFFFAOYSA-N 2 2 263.345 0.925 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000264241285 190099011 /nfs/dbraw/zinc/09/90/11/190099011.db2.gz XFKAOOPXWBVQLG-SNVBAGLBSA-N 2 2 251.334 0.314 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000264241285 190099012 /nfs/dbraw/zinc/09/90/12/190099012.db2.gz XFKAOOPXWBVQLG-SNVBAGLBSA-N 2 2 251.334 0.314 20 0 CCADLP COc1cc[nH+]c(Cn2cc(C[C@H]3CC[NH2+]C3)nn2)c1 ZINC000641030947 376686694 /nfs/dbraw/zinc/68/66/94/376686694.db2.gz QIMJZINUEQFOBJ-LLVKDONJSA-N 2 2 273.340 0.882 20 0 CCADLP Cc1[nH+]cccc1Cn1cc(CN2CC[NH2+]CC2)nn1 ZINC000641050508 376715584 /nfs/dbraw/zinc/71/55/84/376715584.db2.gz BXFDWHVNGGQKMU-UHFFFAOYSA-N 2 2 272.356 0.435 20 0 CCADLP Cc1cc(Cn2cc(CCN3CC[NH2+]CC3)nn2)cc[nH+]1 ZINC000641089040 376764132 /nfs/dbraw/zinc/76/41/32/376764132.db2.gz MKQDCSIAWOTCJJ-UHFFFAOYSA-N 2 2 286.383 0.478 20 0 CCADLP Cc1cc(Cn2cc(CN3CC[NH2+]CC3)nn2)cc[nH+]1 ZINC000641088340 376764159 /nfs/dbraw/zinc/76/41/59/376764159.db2.gz HBFJZPIUUQVNJF-UHFFFAOYSA-N 2 2 272.356 0.435 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000264888919 190141866 /nfs/dbraw/zinc/14/18/66/190141866.db2.gz UYYPBSUTGOVKMN-UHFFFAOYSA-N 2 2 254.334 0.416 20 0 CCADLP COCC[N@@H+](C)CCCNC(=O)c1c[nH+]c(C)[nH]1 ZINC000264888919 190141867 /nfs/dbraw/zinc/14/18/67/190141867.db2.gz UYYPBSUTGOVKMN-UHFFFAOYSA-N 2 2 254.334 0.416 20 0 CCADLP CC[N@H+](C)CCNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000264930743 190145498 /nfs/dbraw/zinc/14/54/98/190145498.db2.gz SICDIXUVEZQAOP-UHFFFAOYSA-N 2 2 273.340 0.949 20 0 CCADLP CC[N@@H+](C)CCNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000264930743 190145499 /nfs/dbraw/zinc/14/54/99/190145499.db2.gz SICDIXUVEZQAOP-UHFFFAOYSA-N 2 2 273.340 0.949 20 0 CCADLP O=c1[nH]c2ccc(C[NH2+]CC[N@H+]3CC[C@@H](O)C3)cc2[nH]1 ZINC000641772696 377456077 /nfs/dbraw/zinc/45/60/77/377456077.db2.gz AEZKRYVUUDIXRM-LLVKDONJSA-N 2 2 276.340 0.425 20 0 CCADLP O=c1[nH]c2ccc(C[NH2+]CC[N@@H+]3CC[C@@H](O)C3)cc2[nH]1 ZINC000641772696 377456087 /nfs/dbraw/zinc/45/60/87/377456087.db2.gz AEZKRYVUUDIXRM-LLVKDONJSA-N 2 2 276.340 0.425 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](CC(=O)NCc2ccc(F)cc2)CCCO1 ZINC000313343644 248998636 /nfs/dbraw/zinc/99/86/36/248998636.db2.gz OSBSXSRGVXYSFF-AWEZNQCLSA-N 2 2 295.358 0.492 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)NCc2ccc(F)cc2)CCCO1 ZINC000313343644 248998638 /nfs/dbraw/zinc/99/86/38/248998638.db2.gz OSBSXSRGVXYSFF-AWEZNQCLSA-N 2 2 295.358 0.492 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000641783032 377462035 /nfs/dbraw/zinc/46/20/35/377462035.db2.gz HNDWBFLXAWGOJX-UHFFFAOYSA-N 2 2 279.388 0.927 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1nnnn1CC1CCOCC1 ZINC000641801938 377471017 /nfs/dbraw/zinc/47/10/17/377471017.db2.gz WHBGHFBNUNWMJP-NEPJUHHUSA-N 2 2 294.403 0.315 20 0 CCADLP C[C@@H]1CC[C@H](CN)[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H]1C ZINC000641809833 377482748 /nfs/dbraw/zinc/48/27/48/377482748.db2.gz SJMVOMHAQYQCBK-RBSFLKMASA-N 2 2 296.459 0.598 20 0 CCADLP C[C@@H]1CC[C@H](CN)[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H]1C ZINC000641809833 377482754 /nfs/dbraw/zinc/48/27/54/377482754.db2.gz SJMVOMHAQYQCBK-RBSFLKMASA-N 2 2 296.459 0.598 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])N(CCC(=O)N2CC[NH+](C)CC2)[C@@H]1C ZINC000641809833 377482760 /nfs/dbraw/zinc/48/27/60/377482760.db2.gz SJMVOMHAQYQCBK-RBSFLKMASA-N 2 2 296.459 0.598 20 0 CCADLP C[C@@H](NC(=O)N1CC[N@H+](C)C(C)(C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000641814501 377485152 /nfs/dbraw/zinc/48/51/52/377485152.db2.gz SCZCWUICOFYQND-OLZOCXBDSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@@H](NC(=O)N1CC[N@@H+](C)C(C)(C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000641814501 377485156 /nfs/dbraw/zinc/48/51/56/377485156.db2.gz SCZCWUICOFYQND-OLZOCXBDSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@@H](NC(=O)N1CC[NH+](C)C(C)(C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000641814501 377485162 /nfs/dbraw/zinc/48/51/62/377485162.db2.gz SCZCWUICOFYQND-OLZOCXBDSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@@H](NC(=O)N1CC[NH+](C)C(C)(C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000641814501 377485168 /nfs/dbraw/zinc/48/51/68/377485168.db2.gz SCZCWUICOFYQND-OLZOCXBDSA-N 2 2 298.431 0.441 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+]([C@@H]2CCCN(C)C2=O)CC1 ZINC000515069948 249119609 /nfs/dbraw/zinc/11/96/09/249119609.db2.gz UFQNBBLMEXIRAB-CYBMUJFWSA-N 2 2 283.416 0.432 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000515118680 249120605 /nfs/dbraw/zinc/12/06/05/249120605.db2.gz BRACINOLLSBAFL-CQSZACIVSA-N 2 2 283.416 0.386 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000515118680 249120607 /nfs/dbraw/zinc/12/06/07/249120607.db2.gz BRACINOLLSBAFL-CQSZACIVSA-N 2 2 283.416 0.386 20 0 CCADLP C[C@@H](CC(=O)N1CCO[C@H](C[NH3+])C1)n1cc[nH+]c1 ZINC000514611122 249093560 /nfs/dbraw/zinc/09/35/60/249093560.db2.gz AURVPONEAXAERE-WDEREUQCSA-N 2 2 252.318 0.020 20 0 CCADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000514719971 249100635 /nfs/dbraw/zinc/10/06/35/249100635.db2.gz VROPDMSCAPKSDO-JTQLQIEISA-N 2 2 287.323 0.093 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000514824964 249106272 /nfs/dbraw/zinc/10/62/72/249106272.db2.gz LVUUKJJELAHZFH-OCCSQVGLSA-N 2 2 297.424 0.553 20 0 CCADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2cn3ccc(C)cc3[nH+]2)C1 ZINC000516647790 249173840 /nfs/dbraw/zinc/17/38/40/249173840.db2.gz BDYNEUKSLYQZOH-QWHCGFSZSA-N 2 2 288.351 0.636 20 0 CCADLP [NH3+]CC[NH+]1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000516770866 249178712 /nfs/dbraw/zinc/17/87/12/249178712.db2.gz PZBNQDABZRMJRE-UHFFFAOYSA-N 2 2 253.268 0.336 20 0 CCADLP COc1cc2c(cc1C[N@H+](C)C[C@H](O)C[NH3+])O[C@@H](C)C2 ZINC000516957982 249193209 /nfs/dbraw/zinc/19/32/09/249193209.db2.gz ORPLWIJVGMOHTF-GXFFZTMASA-N 2 2 280.368 0.770 20 0 CCADLP COc1cc2c(cc1C[N@@H+](C)C[C@H](O)C[NH3+])O[C@@H](C)C2 ZINC000516957982 249193212 /nfs/dbraw/zinc/19/32/12/249193212.db2.gz ORPLWIJVGMOHTF-GXFFZTMASA-N 2 2 280.368 0.770 20 0 CCADLP CN1CC[NH+](Cc2ccc(NC(=O)C[NH3+])cc2)CC1 ZINC000517975370 249237507 /nfs/dbraw/zinc/23/75/07/249237507.db2.gz RKRUNNJMJVTJFJ-UHFFFAOYSA-N 2 2 262.357 0.331 20 0 CCADLP O=C(N[C@H]1CCC[NH2+]C1)C1CC[NH+](CC(F)F)CC1 ZINC000517235013 249210278 /nfs/dbraw/zinc/21/02/78/249210278.db2.gz AODQBMLDBRBVJK-NSHDSACASA-N 2 2 275.343 0.832 20 0 CCADLP CCn1cc([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)CCOC)cn1 ZINC000517244082 249211076 /nfs/dbraw/zinc/21/10/76/249211076.db2.gz BRYMWVMOKOVKCX-JSGCOSHPSA-N 2 2 284.404 0.493 20 0 CCADLP CCn1cc([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)CCOC)cn1 ZINC000517244082 249211077 /nfs/dbraw/zinc/21/10/77/249211077.db2.gz BRYMWVMOKOVKCX-JSGCOSHPSA-N 2 2 284.404 0.493 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)c[nH+]1 ZINC000517644087 249225349 /nfs/dbraw/zinc/22/53/49/249225349.db2.gz DJESMSTXTAESPB-LBPRGKRZSA-N 2 2 262.357 0.716 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)c[nH+]1 ZINC000517644087 249225352 /nfs/dbraw/zinc/22/53/52/249225352.db2.gz DJESMSTXTAESPB-LBPRGKRZSA-N 2 2 262.357 0.716 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000517756703 249229389 /nfs/dbraw/zinc/22/93/89/249229389.db2.gz LIFCSTXSSJWCQF-ABAIWWIYSA-N 2 2 292.383 0.161 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000517756703 249229393 /nfs/dbraw/zinc/22/93/93/249229393.db2.gz LIFCSTXSSJWCQF-ABAIWWIYSA-N 2 2 292.383 0.161 20 0 CCADLP C(C[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)OC[C@@H]1CCCO1 ZINC000643066869 377711127 /nfs/dbraw/zinc/71/11/27/377711127.db2.gz UQJHDPDTNCBDAZ-HZSPNIEDSA-N 2 2 254.374 0.866 20 0 CCADLP C(C[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)OC[C@@H]1CCCO1 ZINC000643066869 377711131 /nfs/dbraw/zinc/71/11/31/377711131.db2.gz UQJHDPDTNCBDAZ-HZSPNIEDSA-N 2 2 254.374 0.866 20 0 CCADLP CC(C)CCS(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000657091304 412886262 /nfs/dbraw/zinc/88/62/62/412886262.db2.gz MDOOMEKJTSGCGE-UHFFFAOYSA-N 2 2 293.477 0.835 20 0 CCADLP CC(C)CCS(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000657091304 412886265 /nfs/dbraw/zinc/88/62/65/412886265.db2.gz MDOOMEKJTSGCGE-UHFFFAOYSA-N 2 2 293.477 0.835 20 0 CCADLP O=C1C[C@]2(CC[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)CN1 ZINC000278777063 194150067 /nfs/dbraw/zinc/15/00/67/194150067.db2.gz CVDNCKLQCFLBSZ-MRXNPFEDSA-N 2 2 297.362 0.979 20 0 CCADLP O=C1C[C@]2(CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)CN1 ZINC000278777063 194150069 /nfs/dbraw/zinc/15/00/69/194150069.db2.gz CVDNCKLQCFLBSZ-MRXNPFEDSA-N 2 2 297.362 0.979 20 0 CCADLP CC(C)OC(=O)CC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266920119 190290675 /nfs/dbraw/zinc/29/06/75/190290675.db2.gz LVQCGATZVYYSMR-UHFFFAOYSA-N 2 2 280.372 0.884 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000267292626 190318679 /nfs/dbraw/zinc/31/86/79/190318679.db2.gz CGLJQWNRODTVFQ-CQSZACIVSA-N 2 2 292.383 0.454 20 0 CCADLP Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2C)c(C)[nH+]1 ZINC000268054900 190372873 /nfs/dbraw/zinc/37/28/73/190372873.db2.gz NGJAZGCXRIWOKH-GFCCVEGCSA-N 2 2 290.367 0.847 20 0 CCADLP Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2C)c(C)[nH+]1 ZINC000268054900 190372874 /nfs/dbraw/zinc/37/28/74/190372874.db2.gz NGJAZGCXRIWOKH-GFCCVEGCSA-N 2 2 290.367 0.847 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000426436101 532954792 /nfs/dbraw/zinc/95/47/92/532954792.db2.gz PAGPAEYBWSNMHL-AWEZNQCLSA-N 2 2 281.400 0.404 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000426436101 532954794 /nfs/dbraw/zinc/95/47/94/532954794.db2.gz PAGPAEYBWSNMHL-AWEZNQCLSA-N 2 2 281.400 0.404 20 0 CCADLP COCC[N@H+](Cc1c[nH+]c(N(C)C)n1C)[C@H]1CCOC1 ZINC000425332908 285000437 /nfs/dbraw/zinc/00/04/37/285000437.db2.gz DIZQUOXUZOIOBV-LBPRGKRZSA-N 2 2 282.388 0.723 20 0 CCADLP COCC[N@@H+](Cc1c[nH+]c(N(C)C)n1C)[C@H]1CCOC1 ZINC000425332908 285000439 /nfs/dbraw/zinc/00/04/39/285000439.db2.gz DIZQUOXUZOIOBV-LBPRGKRZSA-N 2 2 282.388 0.723 20 0 CCADLP NC(=O)[C@@H]1CCCC[NH+]1CCC[N@H+]1CCCC[C@H]1C(N)=O ZINC000246932032 285037285 /nfs/dbraw/zinc/03/72/85/285037285.db2.gz JABZKSSYSUVNCB-STQMWFEESA-N 2 2 296.415 0.056 20 0 CCADLP NC(=O)[C@@H]1CCCC[NH+]1CCC[N@@H+]1CCCC[C@H]1C(N)=O ZINC000246932032 285037288 /nfs/dbraw/zinc/03/72/88/285037288.db2.gz JABZKSSYSUVNCB-STQMWFEESA-N 2 2 296.415 0.056 20 0 CCADLP COCC[NH2+]CC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000423763988 533017926 /nfs/dbraw/zinc/01/79/26/533017926.db2.gz SICCWUGMTSEWPD-UHFFFAOYSA-N 2 2 288.351 0.725 20 0 CCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000335242749 208008491 /nfs/dbraw/zinc/00/84/91/208008491.db2.gz UZANVXFFFSJAKL-ZYHUDNBSSA-N 2 2 254.378 0.459 20 0 CCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000335242749 208008498 /nfs/dbraw/zinc/00/84/98/208008498.db2.gz UZANVXFFFSJAKL-ZYHUDNBSSA-N 2 2 254.378 0.459 20 0 CCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000335242746 208009670 /nfs/dbraw/zinc/00/96/70/208009670.db2.gz UZANVXFFFSJAKL-CMPLNLGQSA-N 2 2 254.378 0.459 20 0 CCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000335242746 208009676 /nfs/dbraw/zinc/00/96/76/208009676.db2.gz UZANVXFFFSJAKL-CMPLNLGQSA-N 2 2 254.378 0.459 20 0 CCADLP C[C@H](C[NH2+]Cc1cc2n(n1)CCC2)C[NH+]1CCOCC1 ZINC000657369774 412974141 /nfs/dbraw/zinc/97/41/41/412974141.db2.gz FFAGMIKFKVHSEI-CYBMUJFWSA-N 2 2 278.400 0.887 20 0 CCADLP COCCOCC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000079434357 285093653 /nfs/dbraw/zinc/09/36/53/285093653.db2.gz WRISOPHHCZSICA-OAHLLOKOSA-N 2 2 286.416 0.694 20 0 CCADLP COCCOCC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000079434357 285093655 /nfs/dbraw/zinc/09/36/55/285093655.db2.gz WRISOPHHCZSICA-OAHLLOKOSA-N 2 2 286.416 0.694 20 0 CCADLP COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000362714494 285110141 /nfs/dbraw/zinc/11/01/41/285110141.db2.gz WYDLKNKANWSTRX-SLBVQIDZSA-N 2 2 298.427 0.879 20 0 CCADLP COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000362714494 285110144 /nfs/dbraw/zinc/11/01/44/285110144.db2.gz WYDLKNKANWSTRX-SLBVQIDZSA-N 2 2 298.427 0.879 20 0 CCADLP CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+]Cc2c[nH+]c3n2CCC3)O1 ZINC000657427522 412986701 /nfs/dbraw/zinc/98/67/01/412986701.db2.gz RYZNMMCNGDGIRT-OLZOCXBDSA-N 2 2 292.383 0.555 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289359893 197311867 /nfs/dbraw/zinc/31/18/67/197311867.db2.gz ZDCDVBHZTGUWSY-CQSZACIVSA-N 2 2 262.357 0.875 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657434798 412988976 /nfs/dbraw/zinc/98/89/76/412988976.db2.gz IXJSRDGOWHIINN-HNNXBMFYSA-N 3 2 287.367 0.424 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657434798 412988983 /nfs/dbraw/zinc/98/89/83/412988983.db2.gz IXJSRDGOWHIINN-HNNXBMFYSA-N 3 2 287.367 0.424 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCN1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000249634426 285136033 /nfs/dbraw/zinc/13/60/33/285136033.db2.gz WDKHVYUUZBFEIB-LSDHHAIUSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCN1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000249634426 285136035 /nfs/dbraw/zinc/13/60/35/285136035.db2.gz WDKHVYUUZBFEIB-LSDHHAIUSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000249634426 285136039 /nfs/dbraw/zinc/13/60/39/285136039.db2.gz WDKHVYUUZBFEIB-LSDHHAIUSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000249634426 285136043 /nfs/dbraw/zinc/13/60/43/285136043.db2.gz WDKHVYUUZBFEIB-LSDHHAIUSA-N 2 2 299.459 0.484 20 0 CCADLP CNc1[nH+]cnc2c1cnn2CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418948867 533089309 /nfs/dbraw/zinc/08/93/09/533089309.db2.gz UDOPVWDFSPMXTP-PHIMTYICSA-N 2 2 288.355 0.731 20 0 CCADLP CNc1[nH+]cnc2c1cnn2CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418948867 533089314 /nfs/dbraw/zinc/08/93/14/533089314.db2.gz UDOPVWDFSPMXTP-PHIMTYICSA-N 2 2 288.355 0.731 20 0 CCADLP COCC(C)(C)[NH+]1CCN(CCn2cc[nH+]c2)CC1 ZINC000425509865 533097938 /nfs/dbraw/zinc/09/79/38/533097938.db2.gz UQISEJFIXXPVJB-UHFFFAOYSA-N 2 2 266.389 0.926 20 0 CCADLP CCN(C)C(=O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657439844 412994268 /nfs/dbraw/zinc/99/42/68/412994268.db2.gz OQHADUDWHHREAR-UHFFFAOYSA-N 2 2 273.340 0.835 20 0 CCADLP CC(C)[C@@H](NC(=O)C[NH2+]C[C@@H]1CCCO1)c1[nH]cc[nH+]1 ZINC000572639048 291893771 /nfs/dbraw/zinc/89/37/71/291893771.db2.gz KNJQNVPCEPWGMK-WCQYABFASA-N 2 2 280.372 0.992 20 0 CCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@H]1CC[NH2+]C1 ZINC000572663412 291895672 /nfs/dbraw/zinc/89/56/72/291895672.db2.gz OPESKPUUZGBDKX-NSHDSACASA-N 2 2 277.372 0.423 20 0 CCADLP CC[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[N@@H+]1C[C@@H](C)O ZINC000288542426 197107461 /nfs/dbraw/zinc/10/74/61/197107461.db2.gz QFLNSWGFFSMREG-CHWSQXEVSA-N 2 2 294.399 0.646 20 0 CCADLP CC[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[N@H+]1C[C@@H](C)O ZINC000288542426 197107463 /nfs/dbraw/zinc/10/74/63/197107463.db2.gz QFLNSWGFFSMREG-CHWSQXEVSA-N 2 2 294.399 0.646 20 0 CCADLP COc1cc2c(cc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1)OCO2 ZINC000358173283 533161274 /nfs/dbraw/zinc/16/12/74/533161274.db2.gz VSBVBWOCPHIGBA-HNNXBMFYSA-N 2 2 294.351 0.580 20 0 CCADLP COc1cc2c(cc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1)OCO2 ZINC000358173283 533161279 /nfs/dbraw/zinc/16/12/79/533161279.db2.gz VSBVBWOCPHIGBA-HNNXBMFYSA-N 2 2 294.351 0.580 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)CC(C)(C)C1 ZINC000395366433 285225412 /nfs/dbraw/zinc/22/54/12/285225412.db2.gz NKZVEJVMTYIVRS-KGLIPLIRSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)CC(C)(C)C1 ZINC000395366433 285225418 /nfs/dbraw/zinc/22/54/18/285225418.db2.gz NKZVEJVMTYIVRS-KGLIPLIRSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000395366433 285225422 /nfs/dbraw/zinc/22/54/22/285225422.db2.gz NKZVEJVMTYIVRS-KGLIPLIRSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000395366433 285225427 /nfs/dbraw/zinc/22/54/27/285225427.db2.gz NKZVEJVMTYIVRS-KGLIPLIRSA-N 2 2 288.432 0.408 20 0 CCADLP COC[C@@H]([NH3+])C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000262224453 285225824 /nfs/dbraw/zinc/22/58/24/285225824.db2.gz FXXUBYCQZKNOPM-SNVBAGLBSA-N 2 2 280.372 0.402 20 0 CCADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@@H]1CCCOC1 ZINC000449390628 285259810 /nfs/dbraw/zinc/25/98/10/285259810.db2.gz GYZBKPZVIAEOEP-KBPBESRZSA-N 2 2 256.390 0.849 20 0 CCADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]C[C@@H]1CCCOC1 ZINC000449390628 285259813 /nfs/dbraw/zinc/25/98/13/285259813.db2.gz GYZBKPZVIAEOEP-KBPBESRZSA-N 2 2 256.390 0.849 20 0 CCADLP [NH3+]CC(F)(F)CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000520829180 285275409 /nfs/dbraw/zinc/27/54/09/285275409.db2.gz CNDFGCNCWDNOLT-UHFFFAOYSA-N 2 2 284.310 0.714 20 0 CCADLP Cn1ncc2c1nc(NCC[C@@H]1CCC[NH2+]C1)[nH+]c2N ZINC000521845228 285290233 /nfs/dbraw/zinc/29/02/33/285290233.db2.gz AKWNXERNSKTQPK-VIFPVBQESA-N 2 2 275.360 0.169 20 0 CCADLP Cc1nc(CCCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cs1 ZINC000521871970 285292467 /nfs/dbraw/zinc/29/24/67/285292467.db2.gz OBFURIDGYIYGFV-ZDUSSCGKSA-N 2 2 296.440 0.876 20 0 CCADLP Cc1nc(CCCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cs1 ZINC000521871970 285292472 /nfs/dbraw/zinc/29/24/72/285292472.db2.gz OBFURIDGYIYGFV-ZDUSSCGKSA-N 2 2 296.440 0.876 20 0 CCADLP [NH3+][C@@H](C(=O)NCCNc1cc[nH+]cc1)c1cscn1 ZINC000521868564 285291349 /nfs/dbraw/zinc/29/13/49/285291349.db2.gz DKQJYJPUBLMCQM-LLVKDONJSA-N 2 2 277.353 0.188 20 0 CCADLP CC[N@H+](CC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1)C1CC1 ZINC000184352996 388772664 /nfs/dbraw/zinc/77/26/64/388772664.db2.gz ULLNGVHGECDGHU-AWEZNQCLSA-N 2 2 296.459 0.613 20 0 CCADLP CC[N@@H+](CC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1)C1CC1 ZINC000184352996 388772668 /nfs/dbraw/zinc/77/26/68/388772668.db2.gz ULLNGVHGECDGHU-AWEZNQCLSA-N 2 2 296.459 0.613 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000184545450 388774620 /nfs/dbraw/zinc/77/46/20/388774620.db2.gz RLIJWTVLQINJBS-UHFFFAOYSA-N 2 2 299.459 0.927 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000184545450 388774624 /nfs/dbraw/zinc/77/46/24/388774624.db2.gz RLIJWTVLQINJBS-UHFFFAOYSA-N 2 2 299.459 0.927 20 0 CCADLP C[NH2+]CC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000040858254 388858344 /nfs/dbraw/zinc/85/83/44/388858344.db2.gz ZYUCHFOHXHKSKV-LLVKDONJSA-N 2 2 283.397 0.457 20 0 CCADLP [NH3+]Cc1cc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)co1 ZINC000188111426 388914048 /nfs/dbraw/zinc/91/40/48/388914048.db2.gz GIQWHBRZZLOOHN-ZDUSSCGKSA-N 2 2 293.367 0.675 20 0 CCADLP C[NH2+]CC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000076564809 388987340 /nfs/dbraw/zinc/98/73/40/388987340.db2.gz HUJWOZKNKAPZET-UHFFFAOYSA-N 2 2 294.374 0.283 20 0 CCADLP CO[C@H](C)CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000190777364 388999437 /nfs/dbraw/zinc/99/94/37/388999437.db2.gz CHJHKSLHCJPNHF-GFCCVEGCSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@H]1C[N@H+](CCN(C)[C@H]2CC[NH+](C3CC3)C2)CCO1 ZINC000337261163 389057810 /nfs/dbraw/zinc/05/78/10/389057810.db2.gz XRMHPDRCAHXARH-ZFWWWQNUSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@H]1C[N@@H+](CCN(C)[C@H]2CC[NH+](C3CC3)C2)CCO1 ZINC000337261163 389057814 /nfs/dbraw/zinc/05/78/14/389057814.db2.gz XRMHPDRCAHXARH-ZFWWWQNUSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@H]1C[NH+](CCN(C)[C@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC000337261163 389057817 /nfs/dbraw/zinc/05/78/17/389057817.db2.gz XRMHPDRCAHXARH-ZFWWWQNUSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@H]1C[NH+](CCN(C)[C@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000337261163 389057818 /nfs/dbraw/zinc/05/78/18/389057818.db2.gz XRMHPDRCAHXARH-ZFWWWQNUSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H](Nc1cc[nH+]cc1C(N)=O)[C@@H](C)[NH+]1CCOCC1 ZINC000302222916 389065682 /nfs/dbraw/zinc/06/56/82/389065682.db2.gz NDKPXAZNWXQCOX-GHMZBOCLSA-N 2 2 278.356 0.702 20 0 CCADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC[NH+]1CCOCC1 ZINC000355407191 389074119 /nfs/dbraw/zinc/07/41/19/389074119.db2.gz GQFTZAQWSPXKEK-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCOCC1)C(C)C ZINC000338193112 389087597 /nfs/dbraw/zinc/08/75/97/389087597.db2.gz VNMWBVMLDXOOEO-UHFFFAOYSA-N 2 2 285.432 0.944 20 0 CCADLP CC[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCOCC1)C(C)C ZINC000338193112 389087598 /nfs/dbraw/zinc/08/75/98/389087598.db2.gz VNMWBVMLDXOOEO-UHFFFAOYSA-N 2 2 285.432 0.944 20 0 CCADLP C[C@@H](CNC(=O)NCC[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000194160569 389089736 /nfs/dbraw/zinc/08/97/36/389089736.db2.gz UUWNNLDSTSAGFC-AWEZNQCLSA-N 2 2 298.431 0.350 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCOC(=O)NC(N)=O ZINC000093188302 389035062 /nfs/dbraw/zinc/03/50/62/389035062.db2.gz VHUPISSTHXMJTP-NEPJUHHUSA-N 2 2 298.387 0.740 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCOC(=O)NC(N)=O ZINC000093188302 389035065 /nfs/dbraw/zinc/03/50/65/389035065.db2.gz VHUPISSTHXMJTP-NEPJUHHUSA-N 2 2 298.387 0.740 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCOC(=O)NC(N)=O ZINC000093188302 389035069 /nfs/dbraw/zinc/03/50/69/389035069.db2.gz VHUPISSTHXMJTP-NEPJUHHUSA-N 2 2 298.387 0.740 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCOC(=O)NC(N)=O ZINC000093188302 389035074 /nfs/dbraw/zinc/03/50/74/389035074.db2.gz VHUPISSTHXMJTP-NEPJUHHUSA-N 2 2 298.387 0.740 20 0 CCADLP C[C@@H](CNCc1c[nH+]c(N(C)C)n1C)C[NH+](C)C ZINC000310723787 389098094 /nfs/dbraw/zinc/09/80/94/389098094.db2.gz BJBFRAMAPGGJNU-NSHDSACASA-N 2 2 253.394 0.773 20 0 CCADLP COCC1(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)CCC1 ZINC000310847574 389098670 /nfs/dbraw/zinc/09/86/70/389098670.db2.gz OZPIOWFTZDMJAM-CYBMUJFWSA-N 2 2 255.406 0.639 20 0 CCADLP COCC1(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)CCC1 ZINC000310847574 389098675 /nfs/dbraw/zinc/09/86/75/389098675.db2.gz OZPIOWFTZDMJAM-CYBMUJFWSA-N 2 2 255.406 0.639 20 0 CCADLP CN1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C(C)(C)C1 ZINC000338279067 389103739 /nfs/dbraw/zinc/10/37/39/389103739.db2.gz IQUKZSCJQCXTGT-UHFFFAOYSA-N 2 2 282.432 0.177 20 0 CCADLP CN1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C(C)(C)C1 ZINC000338279067 389103742 /nfs/dbraw/zinc/10/37/42/389103742.db2.gz IQUKZSCJQCXTGT-UHFFFAOYSA-N 2 2 282.432 0.177 20 0 CCADLP C[NH+]1CCN(C(=O)CCN2CC[N@H+](C)CC2(C)C)CC1 ZINC000338279067 389103745 /nfs/dbraw/zinc/10/37/45/389103745.db2.gz IQUKZSCJQCXTGT-UHFFFAOYSA-N 2 2 282.432 0.177 20 0 CCADLP C[NH+]1CCN(C(=O)CCN2CC[N@@H+](C)CC2(C)C)CC1 ZINC000338279067 389103748 /nfs/dbraw/zinc/10/37/48/389103748.db2.gz IQUKZSCJQCXTGT-UHFFFAOYSA-N 2 2 282.432 0.177 20 0 CCADLP COCC1(C[NH2+]CC(=O)N2CC[NH+](C)CC2)CCC1 ZINC000311749903 389105246 /nfs/dbraw/zinc/10/52/46/389105246.db2.gz CLMCGJDUEOEEMD-UHFFFAOYSA-N 2 2 269.389 0.167 20 0 CCADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000338285812 389106094 /nfs/dbraw/zinc/10/60/94/389106094.db2.gz LKBAWGQIYVXTMD-LBPRGKRZSA-N 2 2 277.434 0.471 20 0 CCADLP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000338285812 389106097 /nfs/dbraw/zinc/10/60/97/389106097.db2.gz LKBAWGQIYVXTMD-LBPRGKRZSA-N 2 2 277.434 0.471 20 0 CCADLP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H](C)CN1C ZINC000338288389 389106962 /nfs/dbraw/zinc/10/69/62/389106962.db2.gz ZQWMFKSXVSDIHG-KGLIPLIRSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H](C)CN1C ZINC000338288389 389106965 /nfs/dbraw/zinc/10/69/65/389106965.db2.gz ZQWMFKSXVSDIHG-KGLIPLIRSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@@H]1CN(CCC(=O)N2CC[NH+](C)CC2)[C@@H](C)C[N@@H+]1C ZINC000338288389 389106966 /nfs/dbraw/zinc/10/69/66/389106966.db2.gz ZQWMFKSXVSDIHG-KGLIPLIRSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@@H]1CN(CCC(=O)N2CC[NH+](C)CC2)[C@@H](C)C[N@H+]1C ZINC000338288389 389106968 /nfs/dbraw/zinc/10/69/68/389106968.db2.gz ZQWMFKSXVSDIHG-KGLIPLIRSA-N 2 2 282.432 0.175 20 0 CCADLP Cn1c[nH+]cc1C[NH2+]CC(=O)NC1CCCCC1 ZINC000111399834 389107141 /nfs/dbraw/zinc/10/71/41/389107141.db2.gz SATLQPPHISNZSG-UHFFFAOYSA-N 2 2 250.346 0.959 20 0 CCADLP CC(C)CNC(=O)[C@@H](C)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313353155 389113074 /nfs/dbraw/zinc/11/30/74/389113074.db2.gz OSFLHFJYVXWASG-VXGBXAGGSA-N 2 2 257.378 0.197 20 0 CCADLP CC(C)CNC(=O)[C@@H](C)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313353155 389113079 /nfs/dbraw/zinc/11/30/79/389113079.db2.gz OSFLHFJYVXWASG-VXGBXAGGSA-N 2 2 257.378 0.197 20 0 CCADLP Cc1ccc(CNC(=O)C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000313358909 389113098 /nfs/dbraw/zinc/11/30/98/389113098.db2.gz VHGQSHRYNHSBRQ-HNNXBMFYSA-N 2 2 291.395 0.661 20 0 CCADLP Cc1ccc(CNC(=O)C[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000313358909 389113103 /nfs/dbraw/zinc/11/31/03/389113103.db2.gz VHGQSHRYNHSBRQ-HNNXBMFYSA-N 2 2 291.395 0.661 20 0 CCADLP C[NH+](C)CC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112206225 389119614 /nfs/dbraw/zinc/11/96/14/389119614.db2.gz SWLBAGWXLFNBOY-CYBMUJFWSA-N 2 2 269.389 0.119 20 0 CCADLP COC(=O)CCNC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339434131 389132911 /nfs/dbraw/zinc/13/29/11/389132911.db2.gz RHXCSMAHPSGIOD-OAHLLOKOSA-N 2 2 297.399 0.083 20 0 CCADLP COC(=O)CCNC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339434131 389132914 /nfs/dbraw/zinc/13/29/14/389132914.db2.gz RHXCSMAHPSGIOD-OAHLLOKOSA-N 2 2 297.399 0.083 20 0 CCADLP COC(=O)CCNC(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339434131 389132915 /nfs/dbraw/zinc/13/29/15/389132915.db2.gz RHXCSMAHPSGIOD-OAHLLOKOSA-N 2 2 297.399 0.083 20 0 CCADLP COC(=O)CCNC(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339434131 389132918 /nfs/dbraw/zinc/13/29/18/389132918.db2.gz RHXCSMAHPSGIOD-OAHLLOKOSA-N 2 2 297.399 0.083 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCN1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000339617440 389135656 /nfs/dbraw/zinc/13/56/56/389135656.db2.gz OEIOKYVFMJGKIN-MELADBBJSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCN1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000339617440 389135659 /nfs/dbraw/zinc/13/56/59/389135659.db2.gz OEIOKYVFMJGKIN-MELADBBJSA-N 2 2 255.406 0.732 20 0 CCADLP O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CC[NH+](CCO)CC1 ZINC000222882905 389142620 /nfs/dbraw/zinc/14/26/20/389142620.db2.gz QAJBMSXENMVRGU-RDBSUJKOSA-N 2 2 281.400 0.044 20 0 CCADLP CCNC(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129224799 389184308 /nfs/dbraw/zinc/18/43/08/389184308.db2.gz MEQHUTJBVZJLMI-ZDUSSCGKSA-N 2 2 269.389 0.167 20 0 CCADLP CCNC(=O)CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129224799 389184311 /nfs/dbraw/zinc/18/43/11/389184311.db2.gz MEQHUTJBVZJLMI-ZDUSSCGKSA-N 2 2 269.389 0.167 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1nccn1C ZINC000341704029 389191559 /nfs/dbraw/zinc/19/15/59/389191559.db2.gz ZQJWBMCZYNRRRV-NEPJUHHUSA-N 2 2 279.388 0.411 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1nccn1C ZINC000341704029 389191562 /nfs/dbraw/zinc/19/15/62/389191562.db2.gz ZQJWBMCZYNRRRV-NEPJUHHUSA-N 2 2 279.388 0.411 20 0 CCADLP C[C@@H](CNC(=O)[C@H]([NH3+])c1ccccc1)C[NH+]1CCOCC1 ZINC000237592105 389192403 /nfs/dbraw/zinc/19/24/03/389192403.db2.gz KEMKUDGZHJFPEE-DZGCQCFKSA-N 2 2 291.395 0.771 20 0 CCADLP O=C(NC[C@@H]1CCC[NH2+]C1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000130126402 389198685 /nfs/dbraw/zinc/19/86/85/389198685.db2.gz JXRYELGNKDDDCG-GFCCVEGCSA-N 2 2 285.351 0.997 20 0 CCADLP O=C(NC[C@H]1CCC[NH2+]C1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000130126635 389198917 /nfs/dbraw/zinc/19/89/17/389198917.db2.gz JXRYELGNKDDDCG-LBPRGKRZSA-N 2 2 285.351 0.997 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360563655 389199528 /nfs/dbraw/zinc/19/95/28/389199528.db2.gz PETPXBCNNYPTIZ-SMDDNHRTSA-N 2 2 282.388 0.295 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360563655 389199529 /nfs/dbraw/zinc/19/95/29/389199529.db2.gz PETPXBCNNYPTIZ-SMDDNHRTSA-N 2 2 282.388 0.295 20 0 CCADLP C[C@H](C(=O)N(C)C)[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000130215618 389201224 /nfs/dbraw/zinc/20/12/24/389201224.db2.gz UQFQBQBGKNACMH-LLVKDONJSA-N 2 2 253.390 0.927 20 0 CCADLP CNS(=O)(=O)CCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123404442 389156074 /nfs/dbraw/zinc/15/60/74/389156074.db2.gz OUISHJVHGBDINA-NEPJUHHUSA-N 2 2 277.434 0.340 20 0 CCADLP CNS(=O)(=O)CCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123404442 389156075 /nfs/dbraw/zinc/15/60/75/389156075.db2.gz OUISHJVHGBDINA-NEPJUHHUSA-N 2 2 277.434 0.340 20 0 CCADLP CNS(=O)(=O)CCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123404442 389156079 /nfs/dbraw/zinc/15/60/79/389156079.db2.gz OUISHJVHGBDINA-NEPJUHHUSA-N 2 2 277.434 0.340 20 0 CCADLP CNS(=O)(=O)CCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123404442 389156081 /nfs/dbraw/zinc/15/60/81/389156081.db2.gz OUISHJVHGBDINA-NEPJUHHUSA-N 2 2 277.434 0.340 20 0 CCADLP C[C@@H](O)C[C@H]1CCCCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000124222981 389160115 /nfs/dbraw/zinc/16/01/15/389160115.db2.gz XJWRERQWAKDAQT-HUUCEWRRSA-N 2 2 297.443 0.776 20 0 CCADLP C[C@@H](O)C[C@H]1CCCCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000124222981 389160116 /nfs/dbraw/zinc/16/01/16/389160116.db2.gz XJWRERQWAKDAQT-HUUCEWRRSA-N 2 2 297.443 0.776 20 0 CCADLP C[N@H+](CC[NH3+])CCCN1C(=O)c2ccccc2C1=O ZINC000127896281 389175958 /nfs/dbraw/zinc/17/59/58/389175958.db2.gz VXPNYIGYWMDQBB-UHFFFAOYSA-N 2 2 261.325 0.563 20 0 CCADLP C[N@@H+](CC[NH3+])CCCN1C(=O)c2ccccc2C1=O ZINC000127896281 389175960 /nfs/dbraw/zinc/17/59/60/389175960.db2.gz VXPNYIGYWMDQBB-UHFFFAOYSA-N 2 2 261.325 0.563 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000362906226 389243964 /nfs/dbraw/zinc/24/39/64/389243964.db2.gz WARSQHCDAFJCBP-GMTAPVOTSA-N 2 2 262.357 0.581 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000362906226 389243966 /nfs/dbraw/zinc/24/39/66/389243966.db2.gz WARSQHCDAFJCBP-GMTAPVOTSA-N 2 2 262.357 0.581 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000362906226 389243970 /nfs/dbraw/zinc/24/39/70/389243970.db2.gz WARSQHCDAFJCBP-GMTAPVOTSA-N 2 2 262.357 0.581 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000362906226 389243973 /nfs/dbraw/zinc/24/39/73/389243973.db2.gz WARSQHCDAFJCBP-GMTAPVOTSA-N 2 2 262.357 0.581 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(CCCn2cc[nH+]c2C)CC1 ZINC000136401095 389267220 /nfs/dbraw/zinc/26/72/20/389267220.db2.gz WYVRQAYHBIYHBN-OAHLLOKOSA-N 2 2 280.416 0.970 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCO[C@@]2(CCOC2)C1 ZINC000248919724 389251207 /nfs/dbraw/zinc/25/12/07/389251207.db2.gz DVESLBSKTDWVFH-KGLIPLIRSA-N 2 2 254.374 0.962 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCO[C@@]2(CCOC2)C1 ZINC000248919724 389251210 /nfs/dbraw/zinc/25/12/10/389251210.db2.gz DVESLBSKTDWVFH-KGLIPLIRSA-N 2 2 254.374 0.962 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000248919724 389251212 /nfs/dbraw/zinc/25/12/12/389251212.db2.gz DVESLBSKTDWVFH-KGLIPLIRSA-N 2 2 254.374 0.962 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000248919724 389251215 /nfs/dbraw/zinc/25/12/15/389251215.db2.gz DVESLBSKTDWVFH-KGLIPLIRSA-N 2 2 254.374 0.962 20 0 CCADLP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000343072144 389257283 /nfs/dbraw/zinc/25/72/83/389257283.db2.gz CTDJAQQTWNWBAP-GFCCVEGCSA-N 2 2 276.384 0.998 20 0 CCADLP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000343072144 389257286 /nfs/dbraw/zinc/25/72/86/389257286.db2.gz CTDJAQQTWNWBAP-GFCCVEGCSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)Nc2cc(C[NH+](C)C)ccn2)C1 ZINC000364405816 389262161 /nfs/dbraw/zinc/26/21/61/389262161.db2.gz HDRIQEGMQOFHCJ-ZDUSSCGKSA-N 2 2 292.383 0.802 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)Nc2cc(C[NH+](C)C)ccn2)C1 ZINC000364405816 389262163 /nfs/dbraw/zinc/26/21/63/389262163.db2.gz HDRIQEGMQOFHCJ-ZDUSSCGKSA-N 2 2 292.383 0.802 20 0 CCADLP CC[N@H+](C)CCNC(=O)[C@H]1COCC[NH+]1CC1CCC1 ZINC000364422183 389263514 /nfs/dbraw/zinc/26/35/14/389263514.db2.gz TVAKSRDMZAACLS-CQSZACIVSA-N 2 2 283.416 0.555 20 0 CCADLP CC[N@@H+](C)CCNC(=O)[C@H]1COCC[NH+]1CC1CCC1 ZINC000364422183 389263516 /nfs/dbraw/zinc/26/35/16/389263516.db2.gz TVAKSRDMZAACLS-CQSZACIVSA-N 2 2 283.416 0.555 20 0 CCADLP CC[NH+](C)CCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000364422183 389263521 /nfs/dbraw/zinc/26/35/21/389263521.db2.gz TVAKSRDMZAACLS-CQSZACIVSA-N 2 2 283.416 0.555 20 0 CCADLP CC[NH+](C)CCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000364422183 389263524 /nfs/dbraw/zinc/26/35/24/389263524.db2.gz TVAKSRDMZAACLS-CQSZACIVSA-N 2 2 283.416 0.555 20 0 CCADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCN(C)C2=O)C1 ZINC000245441804 389208118 /nfs/dbraw/zinc/20/81/18/389208118.db2.gz VTLSFGPPSNULLA-OLZOCXBDSA-N 2 2 253.390 0.881 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCN(C)C2=O)C1 ZINC000245441804 389208119 /nfs/dbraw/zinc/20/81/19/389208119.db2.gz VTLSFGPPSNULLA-OLZOCXBDSA-N 2 2 253.390 0.881 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC000245441804 389208122 /nfs/dbraw/zinc/20/81/22/389208122.db2.gz VTLSFGPPSNULLA-OLZOCXBDSA-N 2 2 253.390 0.881 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC000245441804 389208124 /nfs/dbraw/zinc/20/81/24/389208124.db2.gz VTLSFGPPSNULLA-OLZOCXBDSA-N 2 2 253.390 0.881 20 0 CCADLP COC(=O)[C@H]1C[C@H](OC)C[N@H+]1CCn1cc[nH+]c1 ZINC000131300126 389211532 /nfs/dbraw/zinc/21/15/32/389211532.db2.gz WLJRZOCUPJSVNJ-WDEREUQCSA-N 2 2 253.302 0.145 20 0 CCADLP COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1CCn1cc[nH+]c1 ZINC000131300126 389211535 /nfs/dbraw/zinc/21/15/35/389211535.db2.gz WLJRZOCUPJSVNJ-WDEREUQCSA-N 2 2 253.302 0.145 20 0 CCADLP Cc1cc(C[NH2+]C2CC[NH+](CC(=O)N(C)C)CC2)n(C)n1 ZINC000342597775 389227671 /nfs/dbraw/zinc/22/76/71/389227671.db2.gz OPDOZHHJXRKTJQ-UHFFFAOYSA-N 2 2 293.415 0.371 20 0 CCADLP C[C@H](O)[C@@H]1CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000362277304 389232777 /nfs/dbraw/zinc/23/27/77/389232777.db2.gz JSFCPMCUEYOSPF-WDEREUQCSA-N 2 2 252.362 0.689 20 0 CCADLP C[C@H](O)[C@@H]1CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000362277304 389232779 /nfs/dbraw/zinc/23/27/79/389232779.db2.gz JSFCPMCUEYOSPF-WDEREUQCSA-N 2 2 252.362 0.689 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)on1 ZINC000252872695 389266506 /nfs/dbraw/zinc/26/65/06/389266506.db2.gz UGILZSZKFKSAIT-SRVKXCTJSA-N 2 2 278.356 0.981 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)on1 ZINC000252872695 389266509 /nfs/dbraw/zinc/26/65/09/389266509.db2.gz UGILZSZKFKSAIT-SRVKXCTJSA-N 2 2 278.356 0.981 20 0 CCADLP CC(C)[C@H](C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)[NH+](C)C ZINC000155576137 389319787 /nfs/dbraw/zinc/31/97/87/389319787.db2.gz OXVZJDYHYOPKIA-MELADBBJSA-N 2 2 285.432 0.798 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000346155648 389322881 /nfs/dbraw/zinc/32/28/81/389322881.db2.gz SBGBIEWWUWKDBC-CYBMUJFWSA-N 2 2 267.373 0.014 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000346155648 389322885 /nfs/dbraw/zinc/32/28/85/389322885.db2.gz SBGBIEWWUWKDBC-CYBMUJFWSA-N 2 2 267.373 0.014 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)N(C)C2=O)CC[N@@H+]1C ZINC000156135460 389323104 /nfs/dbraw/zinc/32/31/04/389323104.db2.gz DEALJEBZYJHVHX-OUAUKWLOSA-N 2 2 253.346 0.206 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)N(C)C2=O)CC[N@H+]1C ZINC000156135460 389323105 /nfs/dbraw/zinc/32/31/05/389323105.db2.gz DEALJEBZYJHVHX-OUAUKWLOSA-N 2 2 253.346 0.206 20 0 CCADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC000346327537 389326867 /nfs/dbraw/zinc/32/68/67/389326867.db2.gz QJCHODQYBSRMFD-CZUORRHYSA-N 2 2 288.395 1.000 20 0 CCADLP C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC000346327537 389326869 /nfs/dbraw/zinc/32/68/69/389326869.db2.gz QJCHODQYBSRMFD-CZUORRHYSA-N 2 2 288.395 1.000 20 0 CCADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261556068 389271658 /nfs/dbraw/zinc/27/16/58/389271658.db2.gz BVQDEHSIIFUWRP-RWMBFGLXSA-N 2 2 253.390 0.831 20 0 CCADLP CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261556068 389271662 /nfs/dbraw/zinc/27/16/62/389271662.db2.gz BVQDEHSIIFUWRP-RWMBFGLXSA-N 2 2 253.390 0.831 20 0 CCADLP [NH3+]Cc1nc(C[N@@H+]2CCCC3(CCOCC3)C2)no1 ZINC000261618067 389272806 /nfs/dbraw/zinc/27/28/06/389272806.db2.gz CPBARANTFCALMD-UHFFFAOYSA-N 2 2 266.345 0.921 20 0 CCADLP [NH3+]Cc1nc(C[N@H+]2CCCC3(CCOCC3)C2)no1 ZINC000261618067 389272811 /nfs/dbraw/zinc/27/28/11/389272811.db2.gz CPBARANTFCALMD-UHFFFAOYSA-N 2 2 266.345 0.921 20 0 CCADLP CCn1cnnc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261857295 389277957 /nfs/dbraw/zinc/27/79/57/389277957.db2.gz BVNYNZDJRXGRCZ-UPJWGTAASA-N 2 2 279.388 0.545 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261927092 389279160 /nfs/dbraw/zinc/27/91/60/389279160.db2.gz ZKCQROYOASTVFJ-RISCZKNCSA-N 2 2 284.404 0.527 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261927092 389279161 /nfs/dbraw/zinc/27/91/61/389279161.db2.gz ZKCQROYOASTVFJ-RISCZKNCSA-N 2 2 284.404 0.527 20 0 CCADLP COC(=O)CCNC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000158540401 389344493 /nfs/dbraw/zinc/34/44/93/389344493.db2.gz PSGLVHMCIGOFSF-STQMWFEESA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)CCNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000158540401 389344498 /nfs/dbraw/zinc/34/44/98/389344498.db2.gz PSGLVHMCIGOFSF-STQMWFEESA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)CCNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000158540401 389344503 /nfs/dbraw/zinc/34/45/03/389344503.db2.gz PSGLVHMCIGOFSF-STQMWFEESA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)CCNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000158540401 389344505 /nfs/dbraw/zinc/34/45/05/389344505.db2.gz PSGLVHMCIGOFSF-STQMWFEESA-N 2 2 297.399 0.082 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000367652175 389341846 /nfs/dbraw/zinc/34/18/46/389341846.db2.gz BBHBYEAACOYMBT-GFCCVEGCSA-N 2 2 280.372 0.534 20 0 CCADLP C[C@@H](CC(N)=O)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000267213473 389368910 /nfs/dbraw/zinc/36/89/10/389368910.db2.gz HVDONERMACZMAU-ZDUSSCGKSA-N 2 2 291.395 0.872 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCn2cc[nH+]c2C1 ZINC000332927517 389394063 /nfs/dbraw/zinc/39/40/63/389394063.db2.gz VGWYCRBTEZVQIU-AAEUAGOBSA-N 2 2 289.383 0.891 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCn2cc[nH+]c2C1 ZINC000332927517 389394067 /nfs/dbraw/zinc/39/40/67/389394067.db2.gz VGWYCRBTEZVQIU-AAEUAGOBSA-N 2 2 289.383 0.891 20 0 CCADLP O=C(N[C@@H]1CC[NH2+]C1)c1ccccc1C[NH+]1CCOCC1 ZINC000269135564 389404238 /nfs/dbraw/zinc/40/42/38/389404238.db2.gz RJJKGVKZVXOIGE-CQSZACIVSA-N 2 2 289.379 0.611 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000269127711 389404298 /nfs/dbraw/zinc/40/42/98/389404298.db2.gz GTHLEVAXDYBJRU-LBPRGKRZSA-N 2 2 271.386 0.701 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000269127711 389404301 /nfs/dbraw/zinc/40/43/01/389404301.db2.gz GTHLEVAXDYBJRU-LBPRGKRZSA-N 2 2 271.386 0.701 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@]2(C)CC[NH2+]C2)c[nH+]1 ZINC000269222561 389407893 /nfs/dbraw/zinc/40/78/93/389407893.db2.gz AHVNFMIQMATSMS-CQSZACIVSA-N 2 2 262.357 0.763 20 0 CCADLP CN(C)c1ccc(CNC(=O)C[NH2+]C[C@@H]2CCCO2)c[nH+]1 ZINC000269232233 389408674 /nfs/dbraw/zinc/40/86/74/389408674.db2.gz JSQXYZRCJHRCML-ZDUSSCGKSA-N 2 2 292.383 0.532 20 0 CCADLP Cc1ccn2cc(CNC(=O)[C@H]3CSC[NH2+]3)[nH+]c2c1 ZINC000269229077 389408952 /nfs/dbraw/zinc/40/89/52/389408952.db2.gz BPYMUPLNWFSSSL-LLVKDONJSA-N 2 2 276.365 0.921 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000161932846 389411171 /nfs/dbraw/zinc/41/11/71/389411171.db2.gz LLCZXZMQWUKMCF-NWDGAFQWSA-N 2 2 275.418 0.094 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000161932846 389411175 /nfs/dbraw/zinc/41/11/75/389411175.db2.gz LLCZXZMQWUKMCF-NWDGAFQWSA-N 2 2 275.418 0.094 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000161932846 389411179 /nfs/dbraw/zinc/41/11/79/389411179.db2.gz LLCZXZMQWUKMCF-NWDGAFQWSA-N 2 2 275.418 0.094 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000161932846 389411180 /nfs/dbraw/zinc/41/11/80/389411180.db2.gz LLCZXZMQWUKMCF-NWDGAFQWSA-N 2 2 275.418 0.094 20 0 CCADLP CCn1nccc1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000349331624 389411728 /nfs/dbraw/zinc/41/17/28/389411728.db2.gz MEKHGHCNKFZUDS-UHFFFAOYSA-N 2 2 279.432 0.972 20 0 CCADLP CCn1nccc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000349331624 389411731 /nfs/dbraw/zinc/41/17/31/389411731.db2.gz MEKHGHCNKFZUDS-UHFFFAOYSA-N 2 2 279.432 0.972 20 0 CCADLP C[C@H]1C[N@H+](CCN(C)C[C@H]2CCC[NH+]2C)CCO1 ZINC000421005978 389345397 /nfs/dbraw/zinc/34/53/97/389345397.db2.gz VQXVWAAGUVCVGM-UONOGXRCSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@H]1C[N@@H+](CCN(C)C[C@H]2CCC[NH+]2C)CCO1 ZINC000421005978 389345401 /nfs/dbraw/zinc/34/54/01/389345401.db2.gz VQXVWAAGUVCVGM-UONOGXRCSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@H]1C[NH+](CCN(C)C[C@H]2CCC[N@@H+]2C)CCO1 ZINC000421005978 389345404 /nfs/dbraw/zinc/34/54/04/389345404.db2.gz VQXVWAAGUVCVGM-UONOGXRCSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@H]1C[NH+](CCN(C)C[C@H]2CCC[N@H+]2C)CCO1 ZINC000421005978 389345407 /nfs/dbraw/zinc/34/54/07/389345407.db2.gz VQXVWAAGUVCVGM-UONOGXRCSA-N 2 2 255.406 0.733 20 0 CCADLP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000347778045 389357625 /nfs/dbraw/zinc/35/76/25/389357625.db2.gz NHLAAWLLLKZCHQ-BFHYXJOUSA-N 3 2 257.422 0.883 20 0 CCADLP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000347778045 389357629 /nfs/dbraw/zinc/35/76/29/389357629.db2.gz NHLAAWLLLKZCHQ-BFHYXJOUSA-N 3 2 257.422 0.883 20 0 CCADLP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CCC[NH+](CC)CC ZINC000422734705 389462665 /nfs/dbraw/zinc/46/26/65/389462665.db2.gz SWRRCGIPEGKQEQ-OLZOCXBDSA-N 2 2 271.405 0.602 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1NCCC[NH+](CC)CC ZINC000422734705 389462669 /nfs/dbraw/zinc/46/26/69/389462669.db2.gz SWRRCGIPEGKQEQ-OLZOCXBDSA-N 2 2 271.405 0.602 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCC[N@@H+]1CCCC[C@@H]1C ZINC000422859101 389493875 /nfs/dbraw/zinc/49/38/75/389493875.db2.gz JRLDNTZJMABBFY-BFHYXJOUSA-N 2 2 283.416 0.744 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCC[N@H+]1CCCC[C@@H]1C ZINC000422859101 389493879 /nfs/dbraw/zinc/49/38/79/389493879.db2.gz JRLDNTZJMABBFY-BFHYXJOUSA-N 2 2 283.416 0.744 20 0 CCADLP O=C(NC[C@H]1CCC[NH2+]C1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000422768561 389471455 /nfs/dbraw/zinc/47/14/55/389471455.db2.gz USEHGOUOIBGWHG-GJZGRUSLSA-N 2 2 295.427 0.603 20 0 CCADLP O=C(NC[C@H]1CCC[NH2+]C1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000422768561 389471457 /nfs/dbraw/zinc/47/14/57/389471457.db2.gz USEHGOUOIBGWHG-GJZGRUSLSA-N 2 2 295.427 0.603 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000422806081 389479329 /nfs/dbraw/zinc/47/93/29/389479329.db2.gz JYGBYJXVSBJBBA-KBPBESRZSA-N 2 2 283.416 0.603 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000422806081 389479333 /nfs/dbraw/zinc/47/93/33/389479333.db2.gz JYGBYJXVSBJBBA-KBPBESRZSA-N 2 2 283.416 0.603 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000422818365 389481624 /nfs/dbraw/zinc/48/16/24/389481624.db2.gz KCTFHGVCXMRPHP-MELADBBJSA-N 2 2 283.416 0.696 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000422818365 389481626 /nfs/dbraw/zinc/48/16/26/389481626.db2.gz KCTFHGVCXMRPHP-MELADBBJSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422864356 389495406 /nfs/dbraw/zinc/49/54/06/389495406.db2.gz UUVKBWWNVRDUAF-KKUMJFAQSA-N 3 2 268.449 0.743 20 0 CCADLP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)CCc1c[nH+]cn1C ZINC000334402822 389486459 /nfs/dbraw/zinc/48/64/59/389486459.db2.gz OLHDYDIOIDSENZ-RYUDHWBXSA-N 2 2 264.373 0.904 20 0 CCADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CCc1c[nH+]cn1C ZINC000334402822 389486465 /nfs/dbraw/zinc/48/64/65/389486465.db2.gz OLHDYDIOIDSENZ-RYUDHWBXSA-N 2 2 264.373 0.904 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000422846063 389489427 /nfs/dbraw/zinc/48/94/27/389489427.db2.gz DRMZVZVLOVNHLC-ZIAGYGMSSA-N 2 2 283.416 0.587 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000422846063 389489431 /nfs/dbraw/zinc/48/94/31/389489431.db2.gz DRMZVZVLOVNHLC-ZIAGYGMSSA-N 2 2 283.416 0.587 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000422846060 389489806 /nfs/dbraw/zinc/48/98/06/389489806.db2.gz DRMZVZVLOVNHLC-KBPBESRZSA-N 2 2 283.416 0.587 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000422846060 389489809 /nfs/dbraw/zinc/48/98/09/389489809.db2.gz DRMZVZVLOVNHLC-KBPBESRZSA-N 2 2 283.416 0.587 20 0 CCADLP Cc1cc(C)c(NC(=O)C(=O)NCC[NH+](C)C)c(C)[nH+]1 ZINC000411232167 389421266 /nfs/dbraw/zinc/42/12/66/389421266.db2.gz XUUZGULVEBWXTF-UHFFFAOYSA-N 2 2 278.356 0.623 20 0 CCADLP CCCNC(=O)CCC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000411263829 389422873 /nfs/dbraw/zinc/42/28/73/389422873.db2.gz FQXGTKDSMWQWQF-UHFFFAOYSA-N 2 2 293.415 0.834 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000163237433 389426143 /nfs/dbraw/zinc/42/61/43/389426143.db2.gz ZSGDDMKNEKUXGC-LBPRGKRZSA-N 2 2 283.416 0.696 20 0 CCADLP CN(C(=O)C1CC(=O)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371538743 389434248 /nfs/dbraw/zinc/43/42/48/389434248.db2.gz MIKRQRHFZRPCJU-AWEZNQCLSA-N 2 2 293.411 0.592 20 0 CCADLP CN(C(=O)C1CC(=O)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371538743 389434251 /nfs/dbraw/zinc/43/42/51/389434251.db2.gz MIKRQRHFZRPCJU-AWEZNQCLSA-N 2 2 293.411 0.592 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000333812630 389444788 /nfs/dbraw/zinc/44/47/88/389444788.db2.gz FWNYTPYADGMPBT-RYUDHWBXSA-N 2 2 277.372 0.866 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC1=CC[N@H+](C)CC1 ZINC000271771047 389445836 /nfs/dbraw/zinc/44/58/36/389445836.db2.gz FESVSNICNDFZQG-GFCCVEGCSA-N 2 2 277.372 0.833 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000271771047 389445839 /nfs/dbraw/zinc/44/58/39/389445839.db2.gz FESVSNICNDFZQG-GFCCVEGCSA-N 2 2 277.372 0.833 20 0 CCADLP C[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2ccncc2)C[C@H]1C[NH3+] ZINC000422625465 389447748 /nfs/dbraw/zinc/44/77/48/389447748.db2.gz BTFWWMNIHPGYRC-FRRDWIJNSA-N 2 2 276.384 0.747 20 0 CCADLP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2ccncc2)C[C@H]1C[NH3+] ZINC000422625465 389447750 /nfs/dbraw/zinc/44/77/50/389447750.db2.gz BTFWWMNIHPGYRC-FRRDWIJNSA-N 2 2 276.384 0.747 20 0 CCADLP CC[C@H]1CN(C(=O)[C@H]2CSC[NH2+]2)CC[N@@H+]1CCOC ZINC000168058798 389448439 /nfs/dbraw/zinc/44/84/39/389448439.db2.gz ICMYTYDPTCFLIL-NWDGAFQWSA-N 2 2 287.429 0.218 20 0 CCADLP CC[C@H]1CN(C(=O)[C@H]2CSC[NH2+]2)CC[N@H+]1CCOC ZINC000168058798 389448442 /nfs/dbraw/zinc/44/84/42/389448442.db2.gz ICMYTYDPTCFLIL-NWDGAFQWSA-N 2 2 287.429 0.218 20 0 CCADLP Cn1ncc2c1CCC[N@H+](CCC[NH+]1CCOCC1)C2 ZINC000411839148 389451562 /nfs/dbraw/zinc/45/15/62/389451562.db2.gz CQGNXBWGFSDXLD-UHFFFAOYSA-N 2 2 278.400 0.891 20 0 CCADLP Cn1ncc2c1CCC[N@@H+](CCC[NH+]1CCOCC1)C2 ZINC000411839148 389451566 /nfs/dbraw/zinc/45/15/66/389451566.db2.gz CQGNXBWGFSDXLD-UHFFFAOYSA-N 2 2 278.400 0.891 20 0 CCADLP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)CN1CC[NH+](C)CC1 ZINC000422709735 389455764 /nfs/dbraw/zinc/45/57/64/389455764.db2.gz DVWXFBTZWCNDTA-JYJNAYRXSA-N 3 2 282.476 0.990 20 0 CCADLP [NH3+]CCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000422720143 389458792 /nfs/dbraw/zinc/45/87/92/389458792.db2.gz ZUZCZKAMFALQNL-LBPRGKRZSA-N 2 2 255.362 0.095 20 0 CCADLP [NH3+]CCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000422720143 389458797 /nfs/dbraw/zinc/45/87/97/389458797.db2.gz ZUZCZKAMFALQNL-LBPRGKRZSA-N 2 2 255.362 0.095 20 0 CCADLP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000422718348 389459002 /nfs/dbraw/zinc/45/90/02/389459002.db2.gz WZURQLKCRBMWMA-KGLIPLIRSA-N 2 2 281.400 0.308 20 0 CCADLP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000422718348 389459007 /nfs/dbraw/zinc/45/90/07/389459007.db2.gz WZURQLKCRBMWMA-KGLIPLIRSA-N 2 2 281.400 0.308 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000422727419 389459809 /nfs/dbraw/zinc/45/98/09/389459809.db2.gz HJYOLVMQYSOKDM-QWHCGFSZSA-N 2 2 269.389 0.356 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000422727419 389459814 /nfs/dbraw/zinc/45/98/14/389459814.db2.gz HJYOLVMQYSOKDM-QWHCGFSZSA-N 2 2 269.389 0.356 20 0 CCADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)OC)C1 ZINC000350327541 389505924 /nfs/dbraw/zinc/50/59/24/389505924.db2.gz LYCAQCHOHYRHCP-LBPRGKRZSA-N 2 2 258.362 0.592 20 0 CCADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)OC)C1 ZINC000350327541 389505927 /nfs/dbraw/zinc/50/59/27/389505927.db2.gz LYCAQCHOHYRHCP-LBPRGKRZSA-N 2 2 258.362 0.592 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC000422935477 389508163 /nfs/dbraw/zinc/50/81/63/389508163.db2.gz ANGQFSDAOJCGLE-HTQZYQBOSA-N 2 2 253.268 0.253 20 0 CCADLP Fc1cccnc1OCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422993501 389518356 /nfs/dbraw/zinc/51/83/56/389518356.db2.gz FTLVMSCAXSSBNR-ZIAGYGMSSA-N 2 2 295.358 0.956 20 0 CCADLP CCc1nc(N2CC[N@H+](C)C[C@@H](C(=O)OC)C2)cc(C)[nH+]1 ZINC000413492855 389520367 /nfs/dbraw/zinc/52/03/67/389520367.db2.gz DSPOAMGEPUDJIZ-GFCCVEGCSA-N 2 2 292.383 0.888 20 0 CCADLP CCc1nc(N2CC[N@@H+](C)C[C@@H](C(=O)OC)C2)cc(C)[nH+]1 ZINC000413492855 389520370 /nfs/dbraw/zinc/52/03/70/389520370.db2.gz DSPOAMGEPUDJIZ-GFCCVEGCSA-N 2 2 292.383 0.888 20 0 CCADLP CC1=CC[N@H+](CCN[C@H](C)C[C@@H]2COCC[NH2+]2)CC1 ZINC000423036812 389524965 /nfs/dbraw/zinc/52/49/65/389524965.db2.gz LQUGMYOIQOTPQP-HUUCEWRRSA-N 2 2 267.417 0.995 20 0 CCADLP CC1=CC[N@@H+](CCN[C@H](C)C[C@@H]2COCC[NH2+]2)CC1 ZINC000423036812 389524966 /nfs/dbraw/zinc/52/49/66/389524966.db2.gz LQUGMYOIQOTPQP-HUUCEWRRSA-N 2 2 267.417 0.995 20 0 CCADLP CC1=CCN(CC[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)CC1 ZINC000423036812 389524967 /nfs/dbraw/zinc/52/49/67/389524967.db2.gz LQUGMYOIQOTPQP-HUUCEWRRSA-N 2 2 267.417 0.995 20 0 CCADLP CC1=CC[N@H+](CCN[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000423029425 389525309 /nfs/dbraw/zinc/52/53/09/389525309.db2.gz AEGPMHQAOPPMPQ-JKSUJKDBSA-N 2 2 279.428 0.995 20 0 CCADLP CC1=CC[N@@H+](CCN[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000423029425 389525313 /nfs/dbraw/zinc/52/53/13/389525313.db2.gz AEGPMHQAOPPMPQ-JKSUJKDBSA-N 2 2 279.428 0.995 20 0 CCADLP CC1=CCN(CC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000423029425 389525317 /nfs/dbraw/zinc/52/53/17/389525317.db2.gz AEGPMHQAOPPMPQ-JKSUJKDBSA-N 2 2 279.428 0.995 20 0 CCADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccon1 ZINC000174727278 389528435 /nfs/dbraw/zinc/52/84/35/389528435.db2.gz UNMVXQCHKVFWBX-UHFFFAOYSA-N 2 2 252.362 0.744 20 0 CCADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccon1 ZINC000174727278 389528439 /nfs/dbraw/zinc/52/84/39/389528439.db2.gz UNMVXQCHKVFWBX-UHFFFAOYSA-N 2 2 252.362 0.744 20 0 CCADLP O=C1c2ccccc2CCN1CC[NH2+][C@H]1CC[NH2+]C1 ZINC000423068319 389529133 /nfs/dbraw/zinc/52/91/33/389529133.db2.gz JRNCELDCOOICFB-ZDUSSCGKSA-N 2 2 259.353 0.636 20 0 CCADLP C([NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)C1(N2CCOCC2)CC1 ZINC000423074551 389529831 /nfs/dbraw/zinc/52/98/31/389529831.db2.gz MBKZDBZJEJJFRO-CABCVRRESA-N 2 2 295.427 0.208 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(N2CCOCC2)CC1 ZINC000423075403 389530306 /nfs/dbraw/zinc/53/03/06/389530306.db2.gz OLLNNHPCLCBGAT-STQMWFEESA-N 2 2 253.390 0.439 20 0 CCADLP FC(F)OCCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423116508 389537836 /nfs/dbraw/zinc/53/78/36/389537836.db2.gz QCWYCGIYYLPHIL-MNOVXSKESA-N 2 2 264.316 0.972 20 0 CCADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423188754 389550101 /nfs/dbraw/zinc/55/01/01/389550101.db2.gz QGTLGTBMOVISAY-DOTOQJQBSA-N 3 2 290.455 0.830 20 0 CCADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423188757 389550245 /nfs/dbraw/zinc/55/02/45/389550245.db2.gz QGTLGTBMOVISAY-WBVHZDCISA-N 3 2 290.455 0.830 20 0 CCADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)c1 ZINC000423267230 389558314 /nfs/dbraw/zinc/55/83/14/389558314.db2.gz CNHJWTKGYCJGEQ-YGRLFVJLSA-N 2 2 297.424 0.983 20 0 CCADLP C[C@H]([NH3+])c1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000423296249 389560826 /nfs/dbraw/zinc/56/08/26/389560826.db2.gz GKTRFIULQRQITC-LBPRGKRZSA-N 2 2 277.368 0.768 20 0 CCADLP C[C@H](C[NH3+])[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423322518 389564733 /nfs/dbraw/zinc/56/47/33/389564733.db2.gz IRHXEARTSRDKLX-MNOVXSKESA-N 2 2 285.413 0.935 20 0 CCADLP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000422903294 389503135 /nfs/dbraw/zinc/50/31/35/389503135.db2.gz VYGDSSUBJUDSCM-AWEZNQCLSA-N 2 2 297.443 0.931 20 0 CCADLP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000422903294 389503137 /nfs/dbraw/zinc/50/31/37/389503137.db2.gz VYGDSSUBJUDSCM-AWEZNQCLSA-N 2 2 297.443 0.931 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2CC=CCC2)C1 ZINC000373659598 389504384 /nfs/dbraw/zinc/50/43/84/389504384.db2.gz KRUJSBCQAWEVNZ-ZDUSSCGKSA-N 2 2 267.373 0.085 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH+]2CC=CCC2)C1 ZINC000373659598 389504386 /nfs/dbraw/zinc/50/43/86/389504386.db2.gz KRUJSBCQAWEVNZ-ZDUSSCGKSA-N 2 2 267.373 0.085 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)NCC[N@@H+]2CC=CCC2)C1 ZINC000373659598 389504393 /nfs/dbraw/zinc/50/43/93/389504393.db2.gz KRUJSBCQAWEVNZ-ZDUSSCGKSA-N 2 2 267.373 0.085 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCNc2cnccn2)n1C ZINC000414364705 389612750 /nfs/dbraw/zinc/61/27/50/389612750.db2.gz BKLIVUMUVGQQNV-UHFFFAOYSA-N 2 2 275.360 0.478 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000423958731 389616986 /nfs/dbraw/zinc/61/69/86/389616986.db2.gz MKHAJXIGZMKPKF-ZDUSSCGKSA-N 2 2 298.431 0.077 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000423958731 389616990 /nfs/dbraw/zinc/61/69/90/389616990.db2.gz MKHAJXIGZMKPKF-ZDUSSCGKSA-N 2 2 298.431 0.077 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)C2(C[NH3+])CCCC2)CCO1 ZINC000178744164 389618902 /nfs/dbraw/zinc/61/89/02/389618902.db2.gz IGCPLFKWRYRREH-UHFFFAOYSA-N 2 2 283.416 0.733 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)C2(C[NH3+])CCCC2)CCO1 ZINC000178744164 389618906 /nfs/dbraw/zinc/61/89/06/389618906.db2.gz IGCPLFKWRYRREH-UHFFFAOYSA-N 2 2 283.416 0.733 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000414657338 389625112 /nfs/dbraw/zinc/62/51/12/389625112.db2.gz OIGNRBFNYVPAJX-LSDHHAIUSA-N 3 2 296.459 0.504 20 0 CCADLP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)cc1O ZINC000414963081 389647752 /nfs/dbraw/zinc/64/77/52/389647752.db2.gz KNMBIXRMCSAFIT-LBPRGKRZSA-N 2 2 265.357 0.394 20 0 CCADLP Cn1cc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)c(C(C)(C)C)n1 ZINC000414959956 389647882 /nfs/dbraw/zinc/64/78/82/389647882.db2.gz GGARVJPITUUAHC-ZDUSSCGKSA-N 2 2 279.432 0.711 20 0 CCADLP COCCOc1ccccc1C[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414964461 389647943 /nfs/dbraw/zinc/64/79/43/389647943.db2.gz MFYHGMJQDFJMOF-HNNXBMFYSA-N 2 2 293.411 0.705 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@@H](CO)c1ccsc1)C1CC1 ZINC000351606518 389630406 /nfs/dbraw/zinc/63/04/06/389630406.db2.gz UCELCBFFUBXVKY-OLZOCXBDSA-N 2 2 270.398 0.826 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H](CO)c1ccsc1)C1CC1 ZINC000351606518 389630412 /nfs/dbraw/zinc/63/04/12/389630412.db2.gz UCELCBFFUBXVKY-OLZOCXBDSA-N 2 2 270.398 0.826 20 0 CCADLP COCCn1cc(C[NH2+][C@H](C[NH3+])CC(C)C)cn1 ZINC000414831564 389639252 /nfs/dbraw/zinc/63/92/52/389639252.db2.gz CMMFJFKIGVEJCF-ZDUSSCGKSA-N 2 2 254.378 0.993 20 0 CCADLP COCC[NH2+]CC[NH2+]Cc1cc(OC)c2c(c1)OCCO2 ZINC000414867658 389641388 /nfs/dbraw/zinc/64/13/88/389641388.db2.gz COOADWSOFPTCIN-UHFFFAOYSA-N 2 2 296.367 0.792 20 0 CCADLP COCC[NH2+]CC[NH2+]Cc1ccc(C(=O)OC)cc1 ZINC000414892886 389643959 /nfs/dbraw/zinc/64/39/59/389643959.db2.gz XMGJIXXZZZYCKH-UHFFFAOYSA-N 2 2 266.341 0.799 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000351490660 389591715 /nfs/dbraw/zinc/59/17/15/389591715.db2.gz IQTZFZWJWFLVIS-MVWJERBFSA-N 2 2 262.357 0.914 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000351490660 389591717 /nfs/dbraw/zinc/59/17/17/389591717.db2.gz IQTZFZWJWFLVIS-MVWJERBFSA-N 2 2 262.357 0.914 20 0 CCADLP [NH3+]CCCCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000423496185 389595479 /nfs/dbraw/zinc/59/54/79/389595479.db2.gz DOKVDBQIISAODH-CYBMUJFWSA-N 2 2 269.389 0.342 20 0 CCADLP [NH3+]CCCCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000423496185 389595481 /nfs/dbraw/zinc/59/54/81/389595481.db2.gz DOKVDBQIISAODH-CYBMUJFWSA-N 2 2 269.389 0.342 20 0 CCADLP COc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCN2C)cc1O ZINC000423511180 389597448 /nfs/dbraw/zinc/59/74/48/389597448.db2.gz JXZFXZQIHLAOAG-WCQYABFASA-N 2 2 279.384 0.955 20 0 CCADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000423520794 389598398 /nfs/dbraw/zinc/59/83/98/389598398.db2.gz KMRZJFSURLXFIK-VXGBXAGGSA-N 2 2 257.378 0.211 20 0 CCADLP CNC(=O)CC1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351512537 389601236 /nfs/dbraw/zinc/60/12/36/389601236.db2.gz GKUPGSDIIIYGNL-AWEZNQCLSA-N 2 2 283.416 0.290 20 0 CCADLP CNC(=O)CC1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351512537 389601238 /nfs/dbraw/zinc/60/12/38/389601238.db2.gz GKUPGSDIIIYGNL-AWEZNQCLSA-N 2 2 283.416 0.290 20 0 CCADLP COC(=O)[C@H]1CC12CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)CC2 ZINC000351520726 389603260 /nfs/dbraw/zinc/60/32/60/389603260.db2.gz SMLDVUFGESZTKX-UONOGXRCSA-N 2 2 296.411 0.717 20 0 CCADLP COC(=O)[C@H]1CC12CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)CC2 ZINC000351520726 389603263 /nfs/dbraw/zinc/60/32/63/389603263.db2.gz SMLDVUFGESZTKX-UONOGXRCSA-N 2 2 296.411 0.717 20 0 CCADLP COC[C@]1(C[NH2+][C@@H](C)C[C@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000414950514 389646631 /nfs/dbraw/zinc/64/66/31/389646631.db2.gz FHGFIFOPTQSTJS-BFHYXJOUSA-N 3 2 255.406 0.875 20 0 CCADLP C[C@H]1CC[C@@H]([N@H+](CCO)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000351646245 389646602 /nfs/dbraw/zinc/64/66/02/389646602.db2.gz FXRCCZBAJXPZOA-UONOGXRCSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@H]1CC[C@@H]([N@@H+](CCO)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000351646245 389646603 /nfs/dbraw/zinc/64/66/03/389646603.db2.gz FXRCCZBAJXPZOA-UONOGXRCSA-N 2 2 283.416 0.243 20 0 CCADLP COC[C@]1(C[NH2+]Cc2ccc(C(N)=O)cc2)CCC[NH2+]1 ZINC000414944418 389646666 /nfs/dbraw/zinc/64/66/66/389646666.db2.gz OAGRJPUMZJLIQP-OAHLLOKOSA-N 2 2 277.368 0.644 20 0 CCADLP NC(=O)C[C@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000182811157 389718350 /nfs/dbraw/zinc/71/83/50/389718350.db2.gz WRNZGBOKGVIPIY-GFCCVEGCSA-N 2 2 250.346 0.861 20 0 CCADLP NC(=O)C[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000182811157 389718354 /nfs/dbraw/zinc/71/83/54/389718354.db2.gz WRNZGBOKGVIPIY-GFCCVEGCSA-N 2 2 250.346 0.861 20 0 CCADLP COc1cc(C[NH2+]C[C@H]2C[NH2+]CCN2C)cc(OC)c1 ZINC000414973669 389650221 /nfs/dbraw/zinc/65/02/21/389650221.db2.gz ZZNASEWJILXTQL-CYBMUJFWSA-N 2 2 279.384 0.697 20 0 CCADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC000414973660 389650426 /nfs/dbraw/zinc/65/04/26/389650426.db2.gz ZYYJYVYTXUMDDU-LBPRGKRZSA-N 2 2 293.802 0.981 20 0 CCADLP CCc1ncc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)s1 ZINC000414973482 389650703 /nfs/dbraw/zinc/65/07/03/389650703.db2.gz ZTEZQKKMIGZOKH-JTQLQIEISA-N 2 2 254.403 0.699 20 0 CCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCc1[nH+]ccn1C ZINC000336559528 389652526 /nfs/dbraw/zinc/65/25/26/389652526.db2.gz HGLCCNNZHKKJQJ-GFCCVEGCSA-N 2 2 279.388 0.902 20 0 CCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCc1[nH+]ccn1C ZINC000336559528 389652527 /nfs/dbraw/zinc/65/25/27/389652527.db2.gz HGLCCNNZHKKJQJ-GFCCVEGCSA-N 2 2 279.388 0.902 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@]3(C2)CCCOC3)CC1 ZINC000375291575 389661151 /nfs/dbraw/zinc/66/11/51/389661151.db2.gz ICZHJKFZIXYMBG-HNNXBMFYSA-N 2 2 281.400 0.263 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@]3(C2)CCCOC3)CC1 ZINC000375291575 389661157 /nfs/dbraw/zinc/66/11/57/389661157.db2.gz ICZHJKFZIXYMBG-HNNXBMFYSA-N 2 2 281.400 0.263 20 0 CCADLP CC[C@@H](C(=O)OC)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000180952858 389678192 /nfs/dbraw/zinc/67/81/92/389678192.db2.gz ASKXMKBRYWQSGA-AWEZNQCLSA-N 2 2 285.432 0.896 20 0 CCADLP CC[C@@H](C(=O)OC)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000180952858 389678195 /nfs/dbraw/zinc/67/81/95/389678195.db2.gz ASKXMKBRYWQSGA-AWEZNQCLSA-N 2 2 285.432 0.896 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@H](O)C(F)(F)F)C2)CC1 ZINC000181694961 389691547 /nfs/dbraw/zinc/69/15/47/389691547.db2.gz DAMUDPDAGLQUEV-RYUDHWBXSA-N 2 2 295.349 0.621 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](O)C(F)(F)F)C2)CC1 ZINC000181694961 389691553 /nfs/dbraw/zinc/69/15/53/389691553.db2.gz DAMUDPDAGLQUEV-RYUDHWBXSA-N 2 2 295.349 0.621 20 0 CCADLP CC(C)[C@@H](C(=O)N1CC[NH+](C[C@H](C)O)CC1)[NH+](C)C ZINC000428496613 389701929 /nfs/dbraw/zinc/70/19/29/389701929.db2.gz SUFLQKZSTNXFDF-STQMWFEESA-N 2 2 271.405 0.098 20 0 CCADLP CCC[C@@H]([NH2+]C(C)C)C(=O)NCC[NH+]1CCOCC1 ZINC000352129533 389758766 /nfs/dbraw/zinc/75/87/66/389758766.db2.gz QYNYGUKVVRQQDZ-CYBMUJFWSA-N 2 2 271.405 0.602 20 0 CCADLP C[NH+](C)[C@@H]1CCC[N@H+](CCN2CCCS2(=O)=O)CC1 ZINC000429534987 389759584 /nfs/dbraw/zinc/75/95/84/389759584.db2.gz GHRRWHSPNDRSFZ-CYBMUJFWSA-N 2 2 289.445 0.438 20 0 CCADLP C[NH+](C)[C@@H]1CCC[N@@H+](CCN2CCCS2(=O)=O)CC1 ZINC000429534987 389759585 /nfs/dbraw/zinc/75/95/85/389759585.db2.gz GHRRWHSPNDRSFZ-CYBMUJFWSA-N 2 2 289.445 0.438 20 0 CCADLP [NH3+]C[C@H](NC(=O)NCCc1cn2ccccc2[nH+]1)C1CC1 ZINC000416941614 389782782 /nfs/dbraw/zinc/78/27/82/389782782.db2.gz IEJFRPZGEIBYNV-ZDUSSCGKSA-N 2 2 287.367 0.913 20 0 CCADLP CN(C)c1ccc(CNC(=O)N2CCC[C@@H]([NH3+])C2)c[nH+]1 ZINC000417008631 389789056 /nfs/dbraw/zinc/78/90/56/389789056.db2.gz MFOODRFVHIVIPR-GFCCVEGCSA-N 2 2 277.372 0.780 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)NCCCNc1cccc[nH+]1 ZINC000417070370 389793157 /nfs/dbraw/zinc/79/31/57/389793157.db2.gz GGAXREYGUNUNEM-LLVKDONJSA-N 2 2 265.361 0.920 20 0 CCADLP COc1c[nH+]ccc1N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000352350820 389795703 /nfs/dbraw/zinc/79/57/03/389795703.db2.gz UMSYURFJEYFALY-UHFFFAOYSA-N 2 2 278.356 0.300 20 0 CCADLP CCOC1CC([N@H+](C)C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351984935 389729747 /nfs/dbraw/zinc/72/97/47/389729747.db2.gz ZNUNPTQEBIISHM-MOKVOYLWSA-N 2 2 256.390 0.941 20 0 CCADLP CCOC1CC([N@@H+](C)C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351984935 389729749 /nfs/dbraw/zinc/72/97/49/389729749.db2.gz ZNUNPTQEBIISHM-MOKVOYLWSA-N 2 2 256.390 0.941 20 0 CCADLP CCOC1CC([NH+](C)C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000351984935 389729752 /nfs/dbraw/zinc/72/97/52/389729752.db2.gz ZNUNPTQEBIISHM-MOKVOYLWSA-N 2 2 256.390 0.941 20 0 CCADLP CCOC1CC([NH+](C)C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351984935 389729754 /nfs/dbraw/zinc/72/97/54/389729754.db2.gz ZNUNPTQEBIISHM-MOKVOYLWSA-N 2 2 256.390 0.941 20 0 CCADLP CC(C)C[C@@H](C[NH3+])NC(=O)NCCCn1cc[nH+]c1 ZINC000416435000 389742752 /nfs/dbraw/zinc/74/27/52/389742752.db2.gz XQEGQBMKTNBOFK-LBPRGKRZSA-N 2 2 267.377 0.946 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000416436524 389743384 /nfs/dbraw/zinc/74/33/84/389743384.db2.gz IZHROMLLHFWDIE-OCCSQVGLSA-N 2 2 279.388 0.961 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCCCn1cc[nH+]c1 ZINC000416441976 389744127 /nfs/dbraw/zinc/74/41/27/389744127.db2.gz WQHYLHXWOPZEPV-VXGBXAGGSA-N 2 2 265.361 0.570 20 0 CCADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nnnn1C ZINC000429244757 389746922 /nfs/dbraw/zinc/74/69/22/389746922.db2.gz MRLLLMGNLABBGR-UHFFFAOYSA-N 2 2 277.376 0.881 20 0 CCADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nnnn1C ZINC000429244757 389746925 /nfs/dbraw/zinc/74/69/25/389746925.db2.gz MRLLLMGNLABBGR-UHFFFAOYSA-N 2 2 277.376 0.881 20 0 CCADLP C[NH+](C)CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000377314459 389747368 /nfs/dbraw/zinc/74/73/68/389747368.db2.gz NXQQYHLFXAIJIB-GFCCVEGCSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430572819 389808542 /nfs/dbraw/zinc/80/85/42/389808542.db2.gz PAQCERBWCRLHRN-SNVBAGLBSA-N 2 2 265.361 0.720 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430572819 389808544 /nfs/dbraw/zinc/80/85/44/389808544.db2.gz PAQCERBWCRLHRN-SNVBAGLBSA-N 2 2 265.361 0.720 20 0 CCADLP C[C@@H](C[N@H+](C)CC(C)(C)C[NH3+])CS(C)(=O)=O ZINC000430577419 389809008 /nfs/dbraw/zinc/80/90/08/389809008.db2.gz NOZDHPNFFHKUQW-JTQLQIEISA-N 2 2 250.408 0.584 20 0 CCADLP C[C@@H](C[N@@H+](C)CC(C)(C)C[NH3+])CS(C)(=O)=O ZINC000430577419 389809009 /nfs/dbraw/zinc/80/90/09/389809009.db2.gz NOZDHPNFFHKUQW-JTQLQIEISA-N 2 2 250.408 0.584 20 0 CCADLP CN(C)c1nc(N2CC[C@H]3OCC[NH2+][C@H]3C2)cc[nH+]1 ZINC000404187663 389810377 /nfs/dbraw/zinc/81/03/77/389810377.db2.gz FIIOTWZINXLUAC-WDEREUQCSA-N 2 2 263.345 0.110 20 0 CCADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N(C)CC(F)(F)F ZINC000430598754 389811262 /nfs/dbraw/zinc/81/12/62/389811262.db2.gz OXCVEHMWLSKNOC-JTQLQIEISA-N 2 2 269.311 0.970 20 0 CCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC([NH3+])CC1 ZINC000430608456 389812356 /nfs/dbraw/zinc/81/23/56/389812356.db2.gz FKXFNMPNHAEVQW-SECBINFHSA-N 2 2 270.377 0.422 20 0 CCADLP COc1coc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1=O ZINC000430611132 389812719 /nfs/dbraw/zinc/81/27/19/389812719.db2.gz NIBZMANNNXIOBL-SNVBAGLBSA-N 2 2 252.314 0.819 20 0 CCADLP COc1coc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1=O ZINC000430611132 389812722 /nfs/dbraw/zinc/81/27/22/389812722.db2.gz NIBZMANNNXIOBL-SNVBAGLBSA-N 2 2 252.314 0.819 20 0 CCADLP C[C@@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCC([NH3+])CC1 ZINC000430616389 389813247 /nfs/dbraw/zinc/81/32/47/389813247.db2.gz GFWQXQBXKVFYKO-CMPLNLGQSA-N 2 2 255.362 0.093 20 0 CCADLP C[C@@H](CC[NH3+])NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000417411937 389813849 /nfs/dbraw/zinc/81/38/49/389813849.db2.gz DYNLWDIYOUDSNT-NSHDSACASA-N 2 2 272.393 0.134 20 0 CCADLP C[C@@H](CC[NH3+])NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000417411937 389813851 /nfs/dbraw/zinc/81/38/51/389813851.db2.gz DYNLWDIYOUDSNT-NSHDSACASA-N 2 2 272.393 0.134 20 0 CCADLP CCO[C@@H]1C[N@H+](Cc2cnccc2OC)C[C@H]1C[NH3+] ZINC000405730043 389814062 /nfs/dbraw/zinc/81/40/62/389814062.db2.gz WPZPOZPCLBGSFR-BXUZGUMPSA-N 2 2 265.357 0.886 20 0 CCADLP CCO[C@@H]1C[N@@H+](Cc2cnccc2OC)C[C@H]1C[NH3+] ZINC000405730043 389814065 /nfs/dbraw/zinc/81/40/65/389814065.db2.gz WPZPOZPCLBGSFR-BXUZGUMPSA-N 2 2 265.357 0.886 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000417422648 389814821 /nfs/dbraw/zinc/81/48/21/389814821.db2.gz LKINGSRHAHXRMQ-GFCCVEGCSA-N 2 2 286.420 0.380 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000417422648 389814825 /nfs/dbraw/zinc/81/48/25/389814825.db2.gz LKINGSRHAHXRMQ-GFCCVEGCSA-N 2 2 286.420 0.380 20 0 CCADLP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCC([NH3+])CC1 ZINC000430647065 389816617 /nfs/dbraw/zinc/81/66/17/389816617.db2.gz XHFKTOSLGCBWTG-SSDOTTSWSA-N 2 2 296.293 0.186 20 0 CCADLP COC1(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC[NH2+]CC1 ZINC000430688083 389817531 /nfs/dbraw/zinc/81/75/31/389817531.db2.gz UQMCVMRYTPKCJT-LBPRGKRZSA-N 2 2 292.383 0.884 20 0 CCADLP CCCC[C@@H](C[NH3+])NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000417501549 389821660 /nfs/dbraw/zinc/82/16/60/389821660.db2.gz AJRGNINYLCDMKD-OLZOCXBDSA-N 2 2 286.420 0.524 20 0 CCADLP CCCC[C@@H](C[NH3+])NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000417501549 389821662 /nfs/dbraw/zinc/82/16/62/389821662.db2.gz AJRGNINYLCDMKD-OLZOCXBDSA-N 2 2 286.420 0.524 20 0 CCADLP O=C(COC1C[NH2+]C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000430765399 389823866 /nfs/dbraw/zinc/82/38/66/389823866.db2.gz IKLDDIRBQJGVTO-UHFFFAOYSA-N 2 2 264.329 0.104 20 0 CCADLP O=C(COC1C[NH2+]C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000430765399 389823870 /nfs/dbraw/zinc/82/38/70/389823870.db2.gz IKLDDIRBQJGVTO-UHFFFAOYSA-N 2 2 264.329 0.104 20 0 CCADLP C[NH2+]C[C@@H]1CCCN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC000417528791 389826923 /nfs/dbraw/zinc/82/69/23/389826923.db2.gz PXHNLUODADMRLT-KGLIPLIRSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH2+]C[C@@H]1CCCN(C(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC000417528791 389826924 /nfs/dbraw/zinc/82/69/24/389826924.db2.gz PXHNLUODADMRLT-KGLIPLIRSA-N 2 2 298.431 0.348 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000417529604 389827226 /nfs/dbraw/zinc/82/72/26/389827226.db2.gz QYOXXKXNPKYFFN-CHWSQXEVSA-N 2 2 286.420 0.380 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000417529604 389827229 /nfs/dbraw/zinc/82/72/29/389827229.db2.gz QYOXXKXNPKYFFN-CHWSQXEVSA-N 2 2 286.420 0.380 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000430889495 389832332 /nfs/dbraw/zinc/83/23/32/389832332.db2.gz NNPPSAQTOAGTLI-QMMMGPOBSA-N 2 2 278.278 0.917 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)c1csc(C[NH3+])n1 ZINC000430892220 389832460 /nfs/dbraw/zinc/83/24/60/389832460.db2.gz BUZAHXKYWCKZPK-VIFPVBQESA-N 2 2 284.385 0.052 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)c1csc(C[NH3+])n1 ZINC000430892220 389832461 /nfs/dbraw/zinc/83/24/61/389832461.db2.gz BUZAHXKYWCKZPK-VIFPVBQESA-N 2 2 284.385 0.052 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC([C@H](C)[NH3+])CC2)CC1 ZINC000430915526 389833864 /nfs/dbraw/zinc/83/38/64/389833864.db2.gz CZDNXOOPNQXJQO-KBPBESRZSA-N 3 2 296.459 0.598 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430923820 389835109 /nfs/dbraw/zinc/83/51/09/389835109.db2.gz GLZVJCPWIKQSMY-LBPRGKRZSA-N 2 2 257.378 0.200 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430923820 389835112 /nfs/dbraw/zinc/83/51/12/389835112.db2.gz GLZVJCPWIKQSMY-LBPRGKRZSA-N 2 2 257.378 0.200 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C[NH2+]C)C2)CC1 ZINC000430936915 389836977 /nfs/dbraw/zinc/83/69/77/389836977.db2.gz XWLSLSWUWNLBKQ-ZDUSSCGKSA-N 3 2 282.432 0.128 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C[NH2+]C)C2)CC1 ZINC000430936915 389836982 /nfs/dbraw/zinc/83/69/82/389836982.db2.gz XWLSLSWUWNLBKQ-ZDUSSCGKSA-N 3 2 282.432 0.128 20 0 CCADLP NC(=O)[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430937054 389837594 /nfs/dbraw/zinc/83/75/94/389837594.db2.gz YVJCARUUXMIZSF-BXKDBHETSA-N 2 2 251.305 0.633 20 0 CCADLP NC(=O)[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430937054 389837595 /nfs/dbraw/zinc/83/75/95/389837595.db2.gz YVJCARUUXMIZSF-BXKDBHETSA-N 2 2 251.305 0.633 20 0 CCADLP C[C@@H]1C[N@@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC[C@@H]1[NH3+] ZINC000430956470 389840448 /nfs/dbraw/zinc/84/04/48/389840448.db2.gz OTPGMFLZDFWWKE-KWCYVHTRSA-N 2 2 291.399 0.585 20 0 CCADLP C[C@@H]1C[N@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC[C@@H]1[NH3+] ZINC000430956470 389840450 /nfs/dbraw/zinc/84/04/50/389840450.db2.gz OTPGMFLZDFWWKE-KWCYVHTRSA-N 2 2 291.399 0.585 20 0 CCADLP C[NH2+]CCCC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000431006966 389844364 /nfs/dbraw/zinc/84/43/64/389844364.db2.gz FRQMGPKEJRKXHF-UHFFFAOYSA-N 2 2 279.388 0.064 20 0 CCADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@H]2CC[C@H]([NH3+])C2)no1 ZINC000431039014 389847532 /nfs/dbraw/zinc/84/75/32/389847532.db2.gz GBXGJPIPSFSWRI-UWVGGRQHSA-N 2 2 295.387 0.610 20 0 CCADLP C[NH2+]CCCNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000417878689 389860232 /nfs/dbraw/zinc/86/02/32/389860232.db2.gz AQUHMRMGSSGOQY-UHFFFAOYSA-N 2 2 261.329 0.743 20 0 CCADLP C[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)[C@H](C)[NH3+] ZINC000417885407 389861247 /nfs/dbraw/zinc/86/12/47/389861247.db2.gz IWYIQKJDDOQYMG-VHSXEESVSA-N 2 2 261.329 0.869 20 0 CCADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N(C)c1nccs1 ZINC000442751155 389861336 /nfs/dbraw/zinc/86/13/36/389861336.db2.gz BSGPPQSVFFRADN-UWVGGRQHSA-N 2 2 268.386 0.775 20 0 CCADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N(C)c1nccs1 ZINC000442751155 389861337 /nfs/dbraw/zinc/86/13/37/389861337.db2.gz BSGPPQSVFFRADN-UWVGGRQHSA-N 2 2 268.386 0.775 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2cncc(F)c2)C1 ZINC000435377867 389956700 /nfs/dbraw/zinc/95/67/00/389956700.db2.gz GCCYKYSTNHYUMF-AWEZNQCLSA-N 2 2 292.358 0.617 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2cncc(F)c2)C1 ZINC000435377867 389956702 /nfs/dbraw/zinc/95/67/02/389956702.db2.gz GCCYKYSTNHYUMF-AWEZNQCLSA-N 2 2 292.358 0.617 20 0 CCADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccnn1C ZINC000447534080 389957378 /nfs/dbraw/zinc/95/73/78/389957378.db2.gz ZUPPQUQXLVLSBX-NWDGAFQWSA-N 2 2 252.362 0.527 20 0 CCADLP C[C@H](O)CNc1cc(N[C@@H]2CCC[C@@H]([NH3+])C2)nc[nH+]1 ZINC000420243379 389971914 /nfs/dbraw/zinc/97/19/14/389971914.db2.gz XCZZZADETVQDRE-HBNTYKKESA-N 2 2 265.361 0.951 20 0 CCADLP C[C@H](O)CNc1cc(N[C@@H]2CCC[C@@H]([NH3+])C2)[nH+]cn1 ZINC000420243379 389971915 /nfs/dbraw/zinc/97/19/15/389971915.db2.gz XCZZZADETVQDRE-HBNTYKKESA-N 2 2 265.361 0.951 20 0 CCADLP CC[C@H](C(=O)N1CC[NH+](CCO)CC1)[NH+](CC)CC ZINC000445718987 389925277 /nfs/dbraw/zinc/92/52/77/389925277.db2.gz YDFJZCIHZGBDTE-CYBMUJFWSA-N 2 2 271.405 0.243 20 0 CCADLP CCS(=O)(=O)NCCC[N@@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000420291303 389978778 /nfs/dbraw/zinc/97/87/78/389978778.db2.gz NDORKSSLUMLQMC-RYUDHWBXSA-N 2 2 277.434 0.375 20 0 CCADLP CCS(=O)(=O)NCCC[N@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000420291303 389978779 /nfs/dbraw/zinc/97/87/79/389978779.db2.gz NDORKSSLUMLQMC-RYUDHWBXSA-N 2 2 277.434 0.375 20 0 CCADLP CCS(=O)(=O)NCCC[N@H+](CC[NH3+])Cc1ccccc1 ZINC000420303118 389980925 /nfs/dbraw/zinc/98/09/25/389980925.db2.gz HBJRPGGEHYXVLH-UHFFFAOYSA-N 2 2 299.440 0.777 20 0 CCADLP CCS(=O)(=O)NCCC[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000420303118 389980929 /nfs/dbraw/zinc/98/09/29/389980929.db2.gz HBJRPGGEHYXVLH-UHFFFAOYSA-N 2 2 299.440 0.777 20 0 CCADLP CCOC(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420329027 389983975 /nfs/dbraw/zinc/98/39/75/389983975.db2.gz IURUBWDFOWZICW-YPMHNXCESA-N 2 2 256.346 0.378 20 0 CCADLP C[N@@H+](CC(=O)N[C@H](c1ccccc1)C1CC1)C[C@H](O)C[NH3+] ZINC000420348960 389987650 /nfs/dbraw/zinc/98/76/50/389987650.db2.gz BINNJUVVSMYFQC-GDBMZVCRSA-N 2 2 291.395 0.505 20 0 CCADLP C[N@H+](CC(=O)N[C@H](c1ccccc1)C1CC1)C[C@H](O)C[NH3+] ZINC000420348960 389987652 /nfs/dbraw/zinc/98/76/52/389987652.db2.gz BINNJUVVSMYFQC-GDBMZVCRSA-N 2 2 291.395 0.505 20 0 CCADLP C[N@@H+](CC(=O)N[C@@H](c1ccccc1)C1CC1)C[C@@H](O)C[NH3+] ZINC000420348962 389987889 /nfs/dbraw/zinc/98/78/89/389987889.db2.gz BINNJUVVSMYFQC-HOCLYGCPSA-N 2 2 291.395 0.505 20 0 CCADLP C[N@H+](CC(=O)N[C@@H](c1ccccc1)C1CC1)C[C@@H](O)C[NH3+] ZINC000420348962 389987890 /nfs/dbraw/zinc/98/78/90/389987890.db2.gz BINNJUVVSMYFQC-HOCLYGCPSA-N 2 2 291.395 0.505 20 0 CCADLP C[C@H](C(=O)NCc1ccccc1F)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420361811 389991766 /nfs/dbraw/zinc/99/17/66/389991766.db2.gz YQDIVOBRLWAVLZ-ZYHUDNBSSA-N 2 2 283.347 0.082 20 0 CCADLP C[C@H](C(=O)NCc1ccccc1F)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420361811 389991767 /nfs/dbraw/zinc/99/17/67/389991767.db2.gz YQDIVOBRLWAVLZ-ZYHUDNBSSA-N 2 2 283.347 0.082 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH3+])[C@H]1CCCN(c2ccccc2F)C1=O ZINC000420362937 389992480 /nfs/dbraw/zinc/99/24/80/389992480.db2.gz ZVPVBMIWHDCOMM-FZMZJTMJSA-N 2 2 295.358 0.573 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH3+])[C@H]1CCCN(c2ccccc2F)C1=O ZINC000420362937 389992482 /nfs/dbraw/zinc/99/24/82/389992482.db2.gz ZVPVBMIWHDCOMM-FZMZJTMJSA-N 2 2 295.358 0.573 20 0 CCADLP CCCCNC(=O)NC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420371837 389993758 /nfs/dbraw/zinc/99/37/58/389993758.db2.gz PTVPQRKZVMGENV-NTZNESFSSA-N 2 2 284.404 0.588 20 0 CCADLP C[NH2+]CCC[N@@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000420377499 389994270 /nfs/dbraw/zinc/99/42/70/389994270.db2.gz SBDREDZPWIMQFS-GFCCVEGCSA-N 2 2 289.387 0.244 20 0 CCADLP C[NH2+]CCC[N@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000420377499 389994271 /nfs/dbraw/zinc/99/42/71/389994271.db2.gz SBDREDZPWIMQFS-GFCCVEGCSA-N 2 2 289.387 0.244 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000449443207 389994284 /nfs/dbraw/zinc/99/42/84/389994284.db2.gz QFYGLGUMLSNYOH-QJPTWQEYSA-N 2 2 277.434 0.244 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000449443207 389994286 /nfs/dbraw/zinc/99/42/86/389994286.db2.gz QFYGLGUMLSNYOH-QJPTWQEYSA-N 2 2 277.434 0.244 20 0 CCADLP C[NH2+]CCC[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000420379844 389994662 /nfs/dbraw/zinc/99/46/62/389994662.db2.gz VTYOZRSPYCGUFU-UHFFFAOYSA-N 2 2 252.337 0.952 20 0 CCADLP C[NH2+]CCC[N@H+](C)CC(=O)NC(=O)NCc1cccs1 ZINC000420382436 389995202 /nfs/dbraw/zinc/99/52/02/389995202.db2.gz AKKJCISKQJXGDT-UHFFFAOYSA-N 2 2 298.412 0.615 20 0 CCADLP C[NH2+]CCC[N@@H+](C)CC(=O)NC(=O)NCc1cccs1 ZINC000420382436 389995205 /nfs/dbraw/zinc/99/52/05/389995205.db2.gz AKKJCISKQJXGDT-UHFFFAOYSA-N 2 2 298.412 0.615 20 0 CCADLP C[NH2+]CCC[N@H+](C)[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000420386392 389995636 /nfs/dbraw/zinc/99/56/36/389995636.db2.gz IIPFEAFGPSGCKQ-GFCCVEGCSA-N 2 2 279.388 0.457 20 0 CCADLP C[NH2+]CCC[N@@H+](C)[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000420386392 389995638 /nfs/dbraw/zinc/99/56/38/389995638.db2.gz IIPFEAFGPSGCKQ-GFCCVEGCSA-N 2 2 279.388 0.457 20 0 CCADLP C[C@H]1CCCN1C(=O)CC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000438719556 390010161 /nfs/dbraw/zinc/01/01/61/390010161.db2.gz UIHCOXNVCSDIAS-AWEZNQCLSA-N 2 2 297.443 0.776 20 0 CCADLP C[C@H]1CCCN1C(=O)CC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000438719556 390010163 /nfs/dbraw/zinc/01/01/63/390010163.db2.gz UIHCOXNVCSDIAS-AWEZNQCLSA-N 2 2 297.443 0.776 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]CC2CN(S(=O)(=O)CC)C2)[C@@H](C)C1 ZINC000438907856 390011864 /nfs/dbraw/zinc/01/18/64/390011864.db2.gz CDIIPCWPPHKWCK-AAEUAGOBSA-N 2 2 289.445 0.198 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]CC2CN(S(=O)(=O)CC)C2)[C@@H](C)C1 ZINC000438907856 390011867 /nfs/dbraw/zinc/01/18/67/390011867.db2.gz CDIIPCWPPHKWCK-AAEUAGOBSA-N 2 2 289.445 0.198 20 0 CCADLP CCN1CC[NH+](CC(C)(C)NC(=O)C[N@H+](C)C(C)C)CC1 ZINC000456902596 390020488 /nfs/dbraw/zinc/02/04/88/390020488.db2.gz QCADUEVVQPWDOT-UHFFFAOYSA-N 2 2 298.475 0.859 20 0 CCADLP CCN1CC[NH+](CC(C)(C)NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC000456902596 390020490 /nfs/dbraw/zinc/02/04/90/390020490.db2.gz QCADUEVVQPWDOT-UHFFFAOYSA-N 2 2 298.475 0.859 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH+](C)C ZINC000439896014 390027801 /nfs/dbraw/zinc/02/78/01/390027801.db2.gz GFNNRMNAHBBPKA-QWRGUYRKSA-N 2 2 250.346 0.512 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000420801377 390033135 /nfs/dbraw/zinc/03/31/35/390033135.db2.gz OPAWEDSCSPSXKW-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000420801377 390033136 /nfs/dbraw/zinc/03/31/36/390033136.db2.gz OPAWEDSCSPSXKW-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP C[N@@H+]1CCN(C(=O)/C=C/C2CCCC2)[C@@H](C[NH3+])C1 ZINC000493055613 390118900 /nfs/dbraw/zinc/11/89/00/390118900.db2.gz SPEMTGCITVUKRX-YBJDMEARSA-N 2 2 251.374 0.834 20 0 CCADLP C[N@H+]1CCN(C(=O)/C=C/C2CCCC2)[C@@H](C[NH3+])C1 ZINC000493055613 390118901 /nfs/dbraw/zinc/11/89/01/390118901.db2.gz SPEMTGCITVUKRX-YBJDMEARSA-N 2 2 251.374 0.834 20 0 CCADLP C[C@@H]1C[C@H]1C[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000488424743 390093769 /nfs/dbraw/zinc/09/37/69/390093769.db2.gz YUJCJLWPCBZUKY-CABCVRRESA-N 2 2 269.433 0.622 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000488547402 390094552 /nfs/dbraw/zinc/09/45/52/390094552.db2.gz JDBWQMCEEOVNKM-NWDGAFQWSA-N 2 2 279.388 0.837 20 0 CCADLP Cc1nc(N2CCC[N@H+](C)CC2)nc(N(C)C)[nH+]1 ZINC000489488415 390100542 /nfs/dbraw/zinc/10/05/42/390100542.db2.gz YILNPZBUUBJECP-UHFFFAOYSA-N 2 2 250.350 0.388 20 0 CCADLP Cc1nc(N2CCC[N@@H+](C)CC2)nc(N(C)C)[nH+]1 ZINC000489488415 390100543 /nfs/dbraw/zinc/10/05/43/390100543.db2.gz YILNPZBUUBJECP-UHFFFAOYSA-N 2 2 250.350 0.388 20 0 CCADLP C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000647832301 390185323 /nfs/dbraw/zinc/18/53/23/390185323.db2.gz XNGVQZRQDXMLFV-QWHCGFSZSA-N 2 2 283.416 0.648 20 0 CCADLP Cc1cc(NC(=O)[C@H](C)[N@H+](C)CCN2CC[NH2+]CC2)on1 ZINC000647834939 390185907 /nfs/dbraw/zinc/18/59/07/390185907.db2.gz FZZRYIUGQVFCCJ-LBPRGKRZSA-N 2 2 295.387 0.147 20 0 CCADLP Cc1cc(NC(=O)[C@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)on1 ZINC000647834939 390185911 /nfs/dbraw/zinc/18/59/11/390185911.db2.gz FZZRYIUGQVFCCJ-LBPRGKRZSA-N 2 2 295.387 0.147 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C[C@H]1C ZINC000493251642 390121668 /nfs/dbraw/zinc/12/16/68/390121668.db2.gz GEYMCXKQLDQZQC-LXYZTQFVSA-N 2 2 278.356 0.336 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C[C@H]1C ZINC000493251642 390121669 /nfs/dbraw/zinc/12/16/69/390121669.db2.gz GEYMCXKQLDQZQC-LXYZTQFVSA-N 2 2 278.356 0.336 20 0 CCADLP CCn1nccc1/C=C\C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000493599256 390127439 /nfs/dbraw/zinc/12/74/39/390127439.db2.gz ROBCDHIFQLXZMG-DSYXLKISSA-N 2 2 277.372 0.018 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000534410086 390128806 /nfs/dbraw/zinc/12/88/06/390128806.db2.gz JVBIFODIZQJYNV-NEPJUHHUSA-N 2 2 262.357 0.688 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000534410086 390128807 /nfs/dbraw/zinc/12/88/07/390128807.db2.gz JVBIFODIZQJYNV-NEPJUHHUSA-N 2 2 262.357 0.688 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@](C)(O)C[NH2+]C)C1 ZINC000578994833 390132456 /nfs/dbraw/zinc/13/24/56/390132456.db2.gz ZMRCZWXGDRZIPU-UONOGXRCSA-N 3 2 257.422 0.621 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@](C)(O)C[NH2+]C)C1 ZINC000578994833 390132458 /nfs/dbraw/zinc/13/24/58/390132458.db2.gz ZMRCZWXGDRZIPU-UONOGXRCSA-N 3 2 257.422 0.621 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000578994833 390132459 /nfs/dbraw/zinc/13/24/59/390132459.db2.gz ZMRCZWXGDRZIPU-UONOGXRCSA-N 3 2 257.422 0.621 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@](C)(O)C[NH2+]C)C1 ZINC000578994833 390132461 /nfs/dbraw/zinc/13/24/61/390132461.db2.gz ZMRCZWXGDRZIPU-UONOGXRCSA-N 3 2 257.422 0.621 20 0 CCADLP CC[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000579083361 390139664 /nfs/dbraw/zinc/13/96/64/390139664.db2.gz BGZVTXDCCNVOLX-ZQNQSHIBSA-N 2 2 286.416 0.614 20 0 CCADLP CC[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000579083361 390139665 /nfs/dbraw/zinc/13/96/65/390139665.db2.gz BGZVTXDCCNVOLX-ZQNQSHIBSA-N 2 2 286.416 0.614 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536069036 390156950 /nfs/dbraw/zinc/15/69/50/390156950.db2.gz SFIBPCKDCXCRCP-LLVKDONJSA-N 2 2 293.371 0.445 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536069036 390156954 /nfs/dbraw/zinc/15/69/54/390156954.db2.gz SFIBPCKDCXCRCP-LLVKDONJSA-N 2 2 293.371 0.445 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000494288337 390163223 /nfs/dbraw/zinc/16/32/23/390163223.db2.gz RFVPHJAEBOJOSI-OCCSQVGLSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000494288337 390163226 /nfs/dbraw/zinc/16/32/26/390163226.db2.gz RFVPHJAEBOJOSI-OCCSQVGLSA-N 2 2 281.400 0.450 20 0 CCADLP Cc1cc(NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)c(C)c[nH+]1 ZINC000536620225 390167947 /nfs/dbraw/zinc/16/79/47/390167947.db2.gz KZWRWVPXKWXPNM-ZDUSSCGKSA-N 2 2 291.399 0.488 20 0 CCADLP Cc1cc(NC(=O)NC[C@H]2C[N@H+](C)CCN2C)c(C)c[nH+]1 ZINC000536620225 390167950 /nfs/dbraw/zinc/16/79/50/390167950.db2.gz KZWRWVPXKWXPNM-ZDUSSCGKSA-N 2 2 291.399 0.488 20 0 CCADLP COCCN1CC[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000494391106 390169713 /nfs/dbraw/zinc/16/97/13/390169713.db2.gz JBOMBLPKSSJMFX-CHWSQXEVSA-N 2 2 264.373 0.508 20 0 CCADLP C[C@@H](C[N@H+](C1CC1)C1CC[NH2+]CC1)CS(C)(=O)=O ZINC000647815144 390179185 /nfs/dbraw/zinc/17/91/85/390179185.db2.gz QXOPSQXAFLJQKH-NSHDSACASA-N 2 2 274.430 0.884 20 0 CCADLP C[C@@H](C[N@@H+](C1CC1)C1CC[NH2+]CC1)CS(C)(=O)=O ZINC000647815144 390179188 /nfs/dbraw/zinc/17/91/88/390179188.db2.gz QXOPSQXAFLJQKH-NSHDSACASA-N 2 2 274.430 0.884 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccccn2)CC1 ZINC000538967819 390201253 /nfs/dbraw/zinc/20/12/53/390201253.db2.gz OHPAPEOHQCCPQS-OAHLLOKOSA-N 2 2 288.395 0.993 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccccn2)CC1 ZINC000538967819 390201255 /nfs/dbraw/zinc/20/12/55/390201255.db2.gz OHPAPEOHQCCPQS-OAHLLOKOSA-N 2 2 288.395 0.993 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647902808 390211720 /nfs/dbraw/zinc/21/17/20/390211720.db2.gz CEKRGLCJIIWEEV-KGLIPLIRSA-N 2 2 283.416 0.603 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647902808 390211723 /nfs/dbraw/zinc/21/17/23/390211723.db2.gz CEKRGLCJIIWEEV-KGLIPLIRSA-N 2 2 283.416 0.603 20 0 CCADLP COCCCNC(=O)[C@@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC000647925776 390219049 /nfs/dbraw/zinc/21/90/49/390219049.db2.gz XAAHARXTXVWVPI-LLVKDONJSA-N 2 2 257.378 0.341 20 0 CCADLP Cc1cnc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000644454577 390220487 /nfs/dbraw/zinc/22/04/87/390220487.db2.gz TYOUPALSPCYADR-LBPRGKRZSA-N 2 2 292.383 0.881 20 0 CCADLP Cc1cnc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000644454577 390220489 /nfs/dbraw/zinc/22/04/89/390220489.db2.gz TYOUPALSPCYADR-LBPRGKRZSA-N 2 2 292.383 0.881 20 0 CCADLP COc1c(O)cccc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000580096324 390221661 /nfs/dbraw/zinc/22/16/61/390221661.db2.gz BJAMUYFCLHAQKX-VXGBXAGGSA-N 2 2 291.351 0.145 20 0 CCADLP COc1c(O)cccc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000580096324 390221663 /nfs/dbraw/zinc/22/16/63/390221663.db2.gz BJAMUYFCLHAQKX-VXGBXAGGSA-N 2 2 291.351 0.145 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000647936246 390221748 /nfs/dbraw/zinc/22/17/48/390221748.db2.gz ABVYPJSOXAGOLM-ZIAGYGMSSA-N 2 2 285.432 0.979 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000647936246 390221751 /nfs/dbraw/zinc/22/17/51/390221751.db2.gz ABVYPJSOXAGOLM-ZIAGYGMSSA-N 2 2 285.432 0.979 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000647937446 390223246 /nfs/dbraw/zinc/22/32/46/390223246.db2.gz ZIYQRALZKZHNCQ-RYUDHWBXSA-N 2 2 257.378 0.198 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000647937446 390223249 /nfs/dbraw/zinc/22/32/49/390223249.db2.gz ZIYQRALZKZHNCQ-RYUDHWBXSA-N 2 2 257.378 0.198 20 0 CCADLP CC[C@@H]1C[N@H+](C[C@@H](C)CS(C)(=O)=O)CC[C@H]1[NH3+] ZINC000647936656 390223275 /nfs/dbraw/zinc/22/32/75/390223275.db2.gz JIINCDUDFPGAMW-IJLUTSLNSA-N 2 2 262.419 0.726 20 0 CCADLP CC[C@@H]1C[N@@H+](C[C@@H](C)CS(C)(=O)=O)CC[C@H]1[NH3+] ZINC000647936656 390223278 /nfs/dbraw/zinc/22/32/78/390223278.db2.gz JIINCDUDFPGAMW-IJLUTSLNSA-N 2 2 262.419 0.726 20 0 CCADLP C[N@H+](CCC[NH3+])CCNS(=O)(=O)c1ccccc1 ZINC000647848569 390191788 /nfs/dbraw/zinc/19/17/88/390191788.db2.gz UWNUGDRHFIZXKN-UHFFFAOYSA-N 2 2 271.386 0.246 20 0 CCADLP C[N@@H+](CCC[NH3+])CCNS(=O)(=O)c1ccccc1 ZINC000647848569 390191792 /nfs/dbraw/zinc/19/17/92/390191792.db2.gz UWNUGDRHFIZXKN-UHFFFAOYSA-N 2 2 271.386 0.246 20 0 CCADLP CCO[C@@H](CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C(C)C ZINC000580324114 390238377 /nfs/dbraw/zinc/23/83/77/390238377.db2.gz ZXYICPPJLSVEJJ-STQMWFEESA-N 2 2 271.405 0.539 20 0 CCADLP CCO[C@@H](CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C(C)C ZINC000580324114 390238380 /nfs/dbraw/zinc/23/83/80/390238380.db2.gz ZXYICPPJLSVEJJ-STQMWFEESA-N 2 2 271.405 0.539 20 0 CCADLP COCC[N@H+](C)CCC[NH2+]C[C@@H](O)C(F)(F)F ZINC000644520778 390243275 /nfs/dbraw/zinc/24/32/75/390243275.db2.gz DHTMZOPUPSXJEB-SECBINFHSA-N 2 2 258.284 0.468 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+]C[C@@H](O)C(F)(F)F ZINC000644520778 390243278 /nfs/dbraw/zinc/24/32/78/390243278.db2.gz DHTMZOPUPSXJEB-SECBINFHSA-N 2 2 258.284 0.468 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH2+]CCc2n[nH]c(C)n2)[C@H](C)C1 ZINC000543740272 390291176 /nfs/dbraw/zinc/29/11/76/390291176.db2.gz LRSBNAAAEPRTLE-ZYHUDNBSSA-N 2 2 251.378 0.976 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH2+]CCc2n[nH]c(C)n2)[C@H](C)C1 ZINC000543740272 390291179 /nfs/dbraw/zinc/29/11/79/390291179.db2.gz LRSBNAAAEPRTLE-ZYHUDNBSSA-N 2 2 251.378 0.976 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH2+]CCc2nnc(C)[nH]2)[C@H](C)C1 ZINC000543740272 390291182 /nfs/dbraw/zinc/29/11/82/390291182.db2.gz LRSBNAAAEPRTLE-ZYHUDNBSSA-N 2 2 251.378 0.976 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH2+]CCc2nnc(C)[nH]2)[C@H](C)C1 ZINC000543740272 390291183 /nfs/dbraw/zinc/29/11/83/390291183.db2.gz LRSBNAAAEPRTLE-ZYHUDNBSSA-N 2 2 251.378 0.976 20 0 CCADLP C[C@@H](O)C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000644533772 390246646 /nfs/dbraw/zinc/24/66/46/390246646.db2.gz ASCCUNZJNLPDOG-CYBMUJFWSA-N 2 2 292.383 0.091 20 0 CCADLP O[C@@H](CN[C@H]1CC[N@@H+](C2CCCC2)C1)C[NH+]1CCOCC1 ZINC000644550023 390250446 /nfs/dbraw/zinc/25/04/46/390250446.db2.gz PSFZFOMIHXPIEH-HOCLYGCPSA-N 2 2 297.443 0.286 20 0 CCADLP O[C@@H](CN[C@H]1CC[N@H+](C2CCCC2)C1)C[NH+]1CCOCC1 ZINC000644550023 390250448 /nfs/dbraw/zinc/25/04/48/390250448.db2.gz PSFZFOMIHXPIEH-HOCLYGCPSA-N 2 2 297.443 0.286 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+][C@H]2CCC[N@@H+](C)C2)no1 ZINC000644547835 390250645 /nfs/dbraw/zinc/25/06/45/390250645.db2.gz AAZZANSDBTWFKY-NSHDSACASA-N 2 2 266.345 0.417 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+][C@H]2CCC[N@H+](C)C2)no1 ZINC000644547835 390250647 /nfs/dbraw/zinc/25/06/47/390250647.db2.gz AAZZANSDBTWFKY-NSHDSACASA-N 2 2 266.345 0.417 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1CNC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000644559507 390252787 /nfs/dbraw/zinc/25/27/87/390252787.db2.gz ANHSDEJCRUUBMF-HZPDHXFCSA-N 2 2 298.475 0.059 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1CNC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000644559507 390252789 /nfs/dbraw/zinc/25/27/89/390252789.db2.gz ANHSDEJCRUUBMF-HZPDHXFCSA-N 2 2 298.475 0.059 20 0 CCADLP C[C@H](C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)S(C)(=O)=O ZINC000582117134 390260851 /nfs/dbraw/zinc/26/08/51/390260851.db2.gz FPWZQYSASCKGMX-GRYCIOLGSA-N 2 2 262.419 0.882 20 0 CCADLP CC1(OCC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)C[NH2+]C1 ZINC000648151641 390313827 /nfs/dbraw/zinc/31/38/27/390313827.db2.gz AHCCCHMRSCQOCI-NSHDSACASA-N 2 2 278.356 0.842 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1cccs1 ZINC000583811322 390314042 /nfs/dbraw/zinc/31/40/42/390314042.db2.gz QIPZDDWJRWCMOO-QWRGUYRKSA-N 2 2 267.398 0.953 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1cccs1 ZINC000583811322 390314045 /nfs/dbraw/zinc/31/40/45/390314045.db2.gz QIPZDDWJRWCMOO-QWRGUYRKSA-N 2 2 267.398 0.953 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000648164322 390321594 /nfs/dbraw/zinc/32/15/94/390321594.db2.gz FGWDEIICMATHQT-LLVKDONJSA-N 2 2 286.326 0.976 20 0 CCADLP CC[N@H+](CCO)CCNC(=O)Nc1cc(C)[nH+]cc1C ZINC000545276536 390321945 /nfs/dbraw/zinc/32/19/45/390321945.db2.gz HTEJWLTUGOACLP-UHFFFAOYSA-N 2 2 280.372 0.556 20 0 CCADLP CC[N@@H+](CCO)CCNC(=O)Nc1cc(C)[nH+]cc1C ZINC000545276536 390321951 /nfs/dbraw/zinc/32/19/51/390321951.db2.gz HTEJWLTUGOACLP-UHFFFAOYSA-N 2 2 280.372 0.556 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@]2(C)CCCS2)[C@H](C[NH3+])C1 ZINC000584400326 390340624 /nfs/dbraw/zinc/34/06/24/390340624.db2.gz YGLYTEOVFUMVEO-YPMHNXCESA-N 2 2 286.445 0.556 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@]2(C)CCCS2)[C@H](C[NH3+])C1 ZINC000584400326 390340626 /nfs/dbraw/zinc/34/06/26/390340626.db2.gz YGLYTEOVFUMVEO-YPMHNXCESA-N 2 2 286.445 0.556 20 0 CCADLP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)Cn1cc[nH+]c1 ZINC000584420005 390343033 /nfs/dbraw/zinc/34/30/33/390343033.db2.gz VUGBRVTWTWKWMI-CHWSQXEVSA-N 2 2 264.373 0.977 20 0 CCADLP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)Cn1cc[nH+]c1 ZINC000584420005 390343038 /nfs/dbraw/zinc/34/30/38/390343038.db2.gz VUGBRVTWTWKWMI-CHWSQXEVSA-N 2 2 264.373 0.977 20 0 CCADLP CCN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000548018968 390414260 /nfs/dbraw/zinc/41/42/60/390414260.db2.gz YTFAKODOFOCWQK-OLZOCXBDSA-N 2 2 291.399 0.709 20 0 CCADLP CCN1CCN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1[nH]cc[nH+]1 ZINC000548018968 390414263 /nfs/dbraw/zinc/41/42/63/390414263.db2.gz YTFAKODOFOCWQK-OLZOCXBDSA-N 2 2 291.399 0.709 20 0 CCADLP CCOC(=O)N1CC[C@@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000497243282 390443057 /nfs/dbraw/zinc/44/30/57/390443057.db2.gz FEFKHGJLLYMKDQ-LLVKDONJSA-N 2 2 295.387 0.807 20 0 CCADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000645431858 390426574 /nfs/dbraw/zinc/42/65/74/390426574.db2.gz WBIOCDGCAROPJI-NWDGAFQWSA-N 2 2 278.356 0.141 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@H]2[NH2+]CC2(C)C)c[nH+]1 ZINC000645433227 390427072 /nfs/dbraw/zinc/42/70/72/390427072.db2.gz DXZRXTNEHZHVLR-GFCCVEGCSA-N 2 2 262.357 0.762 20 0 CCADLP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000422859253 285374661 /nfs/dbraw/zinc/37/46/61/285374661.db2.gz HFVPNJDCFKXTOP-AVGNSLFASA-N 3 2 255.406 0.955 20 0 CCADLP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000422859253 285374662 /nfs/dbraw/zinc/37/46/62/285374662.db2.gz HFVPNJDCFKXTOP-AVGNSLFASA-N 3 2 255.406 0.955 20 0 CCADLP COc1cc(C)ccc1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000648437211 390372468 /nfs/dbraw/zinc/37/24/68/390372468.db2.gz CKBOPIRHBLGMIX-UHFFFAOYSA-N 2 2 291.395 0.867 20 0 CCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000547675106 390390092 /nfs/dbraw/zinc/39/00/92/390390092.db2.gz GJSVYJSCDFPFDN-STQMWFEESA-N 2 2 291.399 0.934 20 0 CCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000547675106 390390095 /nfs/dbraw/zinc/39/00/95/390390095.db2.gz GJSVYJSCDFPFDN-STQMWFEESA-N 2 2 291.399 0.934 20 0 CCADLP Nc1nc(N2CCn3c[nH+]cc3C2)c2c([nH+]1)CCCC2 ZINC000645247911 390395849 /nfs/dbraw/zinc/39/58/49/390395849.db2.gz SMNIGCXBJCBFNI-UHFFFAOYSA-N 2 2 270.340 0.985 20 0 CCADLP [NH3+][C@H]1CCc2ncc(NC(=O)[C@H]3CSC[NH2+]3)cc2C1 ZINC000519402991 390499284 /nfs/dbraw/zinc/49/92/84/390499284.db2.gz OCWYEVHEGCTXNY-JOYOIKCWSA-N 2 2 278.381 0.499 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC000565372654 390508526 /nfs/dbraw/zinc/50/85/26/390508526.db2.gz XTCHUPCDJUKOBZ-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC000565372654 390508527 /nfs/dbraw/zinc/50/85/27/390508527.db2.gz XTCHUPCDJUKOBZ-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000565372654 390508529 /nfs/dbraw/zinc/50/85/29/390508529.db2.gz XTCHUPCDJUKOBZ-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC000565372654 390508531 /nfs/dbraw/zinc/50/85/31/390508531.db2.gz XTCHUPCDJUKOBZ-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP CCNC(=O)N1CC[C@H]([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000643467004 390450191 /nfs/dbraw/zinc/45/01/91/390450191.db2.gz IDDBKGJHUVTUJC-IHRRRGAJSA-N 2 2 296.415 0.147 20 0 CCADLP CN(CCC[NH+](C)C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000555231687 390450389 /nfs/dbraw/zinc/45/03/89/390450389.db2.gz KEFFDUQTAWJQFG-LLVKDONJSA-N 2 2 279.388 0.860 20 0 CCADLP CN(CCC[NH+](C)C)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000555231687 390450390 /nfs/dbraw/zinc/45/03/90/390450390.db2.gz KEFFDUQTAWJQFG-LLVKDONJSA-N 2 2 279.388 0.860 20 0 CCADLP O=C(C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)NC1CCCC1 ZINC000643469808 390450640 /nfs/dbraw/zinc/45/06/40/390450640.db2.gz VCJRFNBNHDGMGN-HIFRSBDPSA-N 2 2 281.400 0.402 20 0 CCADLP C[C@H](NC(=O)NCC[N@@H+]1CCOC[C@@H]1C)[C@H]1CCC[NH2+]C1 ZINC000565470364 390515703 /nfs/dbraw/zinc/51/57/03/390515703.db2.gz NFYDFYRHNCUWSO-IHRRRGAJSA-N 2 2 298.431 0.394 20 0 CCADLP C[C@H](NC(=O)NCC[N@H+]1CCOC[C@@H]1C)[C@H]1CCC[NH2+]C1 ZINC000565470364 390515709 /nfs/dbraw/zinc/51/57/09/390515709.db2.gz NFYDFYRHNCUWSO-IHRRRGAJSA-N 2 2 298.431 0.394 20 0 CCADLP CC[NH+]1CCC(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000516633987 390483520 /nfs/dbraw/zinc/48/35/20/390483520.db2.gz PQHQEEILSONQCK-AWEZNQCLSA-N 3 2 297.447 0.003 20 0 CCADLP CC[NH+]1CCC(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000516633987 390483526 /nfs/dbraw/zinc/48/35/26/390483526.db2.gz PQHQEEILSONQCK-AWEZNQCLSA-N 3 2 297.447 0.003 20 0 CCADLP Cc1cccn2cc(CNC(=O)COC3(C)C[NH2+]C3)[nH+]c12 ZINC000649329968 390587622 /nfs/dbraw/zinc/58/76/22/390587622.db2.gz LLKRJXSLTCTDML-UHFFFAOYSA-N 2 2 288.351 0.637 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000519643577 390522152 /nfs/dbraw/zinc/52/21/52/390522152.db2.gz FFIZZJXHAPROQQ-GFCCVEGCSA-N 2 2 263.345 0.062 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000519643577 390522157 /nfs/dbraw/zinc/52/21/57/390522157.db2.gz FFIZZJXHAPROQQ-GFCCVEGCSA-N 2 2 263.345 0.062 20 0 CCADLP C[C@H]([NH3+])C(=O)N(C)C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000565599580 390529007 /nfs/dbraw/zinc/52/90/07/390529007.db2.gz SJQVMFLLKMYIIM-DRZSPHRISA-N 2 2 297.378 0.138 20 0 CCADLP C[C@H]([NH3+])C(=O)N(C)C[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000565599580 390529011 /nfs/dbraw/zinc/52/90/11/390529011.db2.gz SJQVMFLLKMYIIM-DRZSPHRISA-N 2 2 297.378 0.138 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCSC[C@H]1CO ZINC000519756487 390538494 /nfs/dbraw/zinc/53/84/94/390538494.db2.gz CCGJVGUXCKQRPX-GFCCVEGCSA-N 2 2 255.387 0.762 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCSC[C@H]1CO ZINC000519756487 390538498 /nfs/dbraw/zinc/53/84/98/390538498.db2.gz CCGJVGUXCKQRPX-GFCCVEGCSA-N 2 2 255.387 0.762 20 0 CCADLP COCCC1(C(=O)N(C)Cc2[nH+]ccn2C)CC[NH2+]CC1 ZINC000643774009 390540232 /nfs/dbraw/zinc/54/02/32/390540232.db2.gz DWOUMZJEPSUAMC-UHFFFAOYSA-N 2 2 294.399 0.785 20 0 CCADLP C[C@@H]1CN(C(=O)N(C)Cc2c[nH+]c[nH]2)C[C@@]1(C)C[NH3+] ZINC000565727098 390540702 /nfs/dbraw/zinc/54/07/02/390540702.db2.gz CHBNMBDGLLYIJD-ZWNOBZJWSA-N 2 2 265.361 0.878 20 0 CCADLP C[C@@H]1CN(C(=O)N(C)Cc2c[nH]c[nH+]2)C[C@@]1(C)C[NH3+] ZINC000565727098 390540705 /nfs/dbraw/zinc/54/07/05/390540705.db2.gz CHBNMBDGLLYIJD-ZWNOBZJWSA-N 2 2 265.361 0.878 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)NCCn1cc[nH+]c1 ZINC000565759865 390542361 /nfs/dbraw/zinc/54/23/61/390542361.db2.gz JSALKVMJLADJML-LBPRGKRZSA-N 2 2 265.361 0.619 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCCn1cc[nH+]c1 ZINC000565759865 390542363 /nfs/dbraw/zinc/54/23/63/390542363.db2.gz JSALKVMJLADJML-LBPRGKRZSA-N 2 2 265.361 0.619 20 0 CCADLP Cc1cccn2cc(CNC(=O)COCC[NH3+])[nH+]c12 ZINC000645952527 390545482 /nfs/dbraw/zinc/54/54/82/390545482.db2.gz NWMGDIGYIRKGEB-UHFFFAOYSA-N 2 2 262.313 0.234 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649292822 390552636 /nfs/dbraw/zinc/55/26/36/390552636.db2.gz CQRZUGJANZFORQ-UTUOFQBUSA-N 2 2 260.341 0.514 20 0 CCADLP CC1(C)C[NH2+][C@H]1C(=O)NCCCNc1cccc[nH+]1 ZINC000645987258 390559493 /nfs/dbraw/zinc/55/94/93/390559493.db2.gz GOTNEHVONKZOMY-LBPRGKRZSA-N 2 2 262.357 0.998 20 0 CCADLP [NH3+]CCOCC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000649302963 390562595 /nfs/dbraw/zinc/56/25/95/390562595.db2.gz JYZLNDNSIBXYJJ-UHFFFAOYSA-N 2 2 293.367 0.433 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)COC3(C)C[NH2+]C3)cn2c1 ZINC000649303666 390563676 /nfs/dbraw/zinc/56/36/76/390563676.db2.gz PYEYGTGBQWPWTA-UHFFFAOYSA-N 2 2 288.351 0.637 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC2(C)CCOCC2)[C@H](C[NH3+])C1 ZINC000566058022 390571188 /nfs/dbraw/zinc/57/11/88/390571188.db2.gz QIBFOGKHXJDREV-GFCCVEGCSA-N 2 2 284.404 0.087 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC2(C)CCOCC2)[C@H](C[NH3+])C1 ZINC000566058022 390571191 /nfs/dbraw/zinc/57/11/91/390571191.db2.gz QIBFOGKHXJDREV-GFCCVEGCSA-N 2 2 284.404 0.087 20 0 CCADLP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@H]1CSC[NH2+]1 ZINC000649319023 390576282 /nfs/dbraw/zinc/57/62/82/390576282.db2.gz AYXUWVCAFOOXSR-LLVKDONJSA-N 2 2 275.337 0.868 20 0 CCADLP CC1(C(=O)NCCNc2ccc3ccccc3[nH+]2)C[NH2+]C1 ZINC000646033324 390578199 /nfs/dbraw/zinc/57/81/99/390578199.db2.gz FLNNHHOGASDJEL-UHFFFAOYSA-N 2 2 284.363 0.794 20 0 CCADLP C[C@H](O)[C@H]1CCN(c2cc(N[C@H]3CC[NH2+]C3)nc[nH+]2)C1 ZINC000566491444 390622953 /nfs/dbraw/zinc/62/29/53/390622953.db2.gz VVDMVVYRRJSRRX-SRVKXCTJSA-N 2 2 277.372 0.458 20 0 CCADLP COCCO[C@H]1COCC[C@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000566497428 390623480 /nfs/dbraw/zinc/62/34/80/390623480.db2.gz WXPRLEOCSWBHJD-KGLIPLIRSA-N 2 2 283.372 0.639 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000522144915 390627240 /nfs/dbraw/zinc/62/72/40/390627240.db2.gz YDSLWMBCHSRSDA-GFCCVEGCSA-N 2 2 276.384 0.830 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000522144915 390627242 /nfs/dbraw/zinc/62/72/42/390627242.db2.gz YDSLWMBCHSRSDA-GFCCVEGCSA-N 2 2 276.384 0.830 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)CC1CC[NH+](C)CC1 ZINC000644058282 390638925 /nfs/dbraw/zinc/63/89/25/390638925.db2.gz KSNLMLATWIHYHB-UHFFFAOYSA-N 2 2 264.373 0.811 20 0 CCADLP O[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)C1CCC1 ZINC000566732277 390641240 /nfs/dbraw/zinc/64/12/40/390641240.db2.gz UZPNARCGMQLRJS-RDBSUJKOSA-N 2 2 254.374 0.504 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CC2(CCO)CC2)C[C@H](C)O1 ZINC000566796706 390648515 /nfs/dbraw/zinc/64/85/15/390648515.db2.gz AUNPXKWREFNOLI-HZSPNIEDSA-N 2 2 286.416 0.209 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CC2(CCO)CC2)C[C@H](C)O1 ZINC000566796706 390648519 /nfs/dbraw/zinc/64/85/19/390648519.db2.gz AUNPXKWREFNOLI-HZSPNIEDSA-N 2 2 286.416 0.209 20 0 CCADLP Cc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1F ZINC000566866792 390655597 /nfs/dbraw/zinc/65/55/97/390655597.db2.gz QUKCGXVHZJPPSM-OCCSQVGLSA-N 2 2 277.343 0.878 20 0 CCADLP Cc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1F ZINC000566866792 390655600 /nfs/dbraw/zinc/65/56/00/390655600.db2.gz QUKCGXVHZJPPSM-OCCSQVGLSA-N 2 2 277.343 0.878 20 0 CCADLP C[NH+]1CCC2(CC1)C[N@H+](CC(=O)NC1CC1)CCO2 ZINC000646102710 390597627 /nfs/dbraw/zinc/59/76/27/390597627.db2.gz OLOFPJZOQAPASN-UHFFFAOYSA-N 2 2 267.373 0.062 20 0 CCADLP C[NH+]1CCC2(CC1)C[N@@H+](CC(=O)NC1CC1)CCO2 ZINC000646102710 390597628 /nfs/dbraw/zinc/59/76/28/390597628.db2.gz OLOFPJZOQAPASN-UHFFFAOYSA-N 2 2 267.373 0.062 20 0 CCADLP C[NH+]1CCC2(CC1)C[N@H+](CC(=O)N1CCCC1)CCO2 ZINC000646103497 390598255 /nfs/dbraw/zinc/59/82/55/390598255.db2.gz VSQQWSHDCQJMAI-UHFFFAOYSA-N 2 2 281.400 0.405 20 0 CCADLP C[NH+]1CCC2(CC1)C[N@@H+](CC(=O)N1CCCC1)CCO2 ZINC000646103497 390598258 /nfs/dbraw/zinc/59/82/58/390598258.db2.gz VSQQWSHDCQJMAI-UHFFFAOYSA-N 2 2 281.400 0.405 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000566425496 390602941 /nfs/dbraw/zinc/60/29/41/390602941.db2.gz DNIOVURRFQOLEH-HNNXBMFYSA-N 2 2 278.400 0.759 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000566425496 390602946 /nfs/dbraw/zinc/60/29/46/390602946.db2.gz DNIOVURRFQOLEH-HNNXBMFYSA-N 2 2 278.400 0.759 20 0 CCADLP C[C@H](CC(=O)N1CCN(c2[nH]cc[nH+]2)CC1)n1cc[nH+]c1 ZINC000566447924 390610173 /nfs/dbraw/zinc/61/01/73/390610173.db2.gz QBRCHXTULGJKJS-GFCCVEGCSA-N 2 2 288.355 0.906 20 0 CCADLP C[C@H](C(=O)N(C)CC[NH+]1CCOCC1)[NH+]1CC(C)C1 ZINC000521924153 390613746 /nfs/dbraw/zinc/61/37/46/390613746.db2.gz GUBZCJOCABFOIZ-CYBMUJFWSA-N 2 2 269.389 0.117 20 0 CCADLP C[C@H]1C[NH2+]CCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000646659134 390705242 /nfs/dbraw/zinc/70/52/42/390705242.db2.gz NVZSYORYQBABFC-NSHDSACASA-N 2 2 271.324 0.701 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N=c2ccn(CC[NH+](C)C)[nH]2)C1 ZINC000568192966 390712692 /nfs/dbraw/zinc/71/26/92/390712692.db2.gz ZHWIWTUHEOYUTB-LBPRGKRZSA-N 2 2 279.388 0.147 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N=c2ccn(CC[NH+](C)C)[nH]2)C1 ZINC000568192966 390712693 /nfs/dbraw/zinc/71/26/93/390712693.db2.gz ZHWIWTUHEOYUTB-LBPRGKRZSA-N 2 2 279.388 0.147 20 0 CCADLP CN(C)S(=O)(=O)CC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000570813126 390719686 /nfs/dbraw/zinc/71/96/86/390719686.db2.gz MKKPLWLWBREJJR-LLVKDONJSA-N 2 2 286.401 0.101 20 0 CCADLP CN(C)S(=O)(=O)CC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000570813126 390719687 /nfs/dbraw/zinc/71/96/87/390719687.db2.gz MKKPLWLWBREJJR-LLVKDONJSA-N 2 2 286.401 0.101 20 0 CCADLP Cc1nc(NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)cc[nH+]1 ZINC000528128915 285385886 /nfs/dbraw/zinc/38/58/86/285385886.db2.gz FVGXDWOVUYPVFL-OAHLLOKOSA-N 2 2 292.383 0.235 20 0 CCADLP Cc1nc(NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)cc[nH+]1 ZINC000528128915 285385887 /nfs/dbraw/zinc/38/58/87/285385887.db2.gz FVGXDWOVUYPVFL-OAHLLOKOSA-N 2 2 292.383 0.235 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](CO)c1ccc(OC)cc1 ZINC000570906796 390723586 /nfs/dbraw/zinc/72/35/86/390723586.db2.gz BRHYDNZPRZXYNX-ZBFHGGJFSA-N 2 2 296.411 0.973 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](CO)c1ccc(OC)cc1 ZINC000570906796 390723587 /nfs/dbraw/zinc/72/35/87/390723587.db2.gz BRHYDNZPRZXYNX-ZBFHGGJFSA-N 2 2 296.411 0.973 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](CO)c1ccc(OC)cc1 ZINC000570906796 390723588 /nfs/dbraw/zinc/72/35/88/390723588.db2.gz BRHYDNZPRZXYNX-ZBFHGGJFSA-N 2 2 296.411 0.973 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](CO)c1ccc(OC)cc1 ZINC000570906796 390723589 /nfs/dbraw/zinc/72/35/89/390723589.db2.gz BRHYDNZPRZXYNX-ZBFHGGJFSA-N 2 2 296.411 0.973 20 0 CCADLP CN(CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccccc1 ZINC000646833719 390725671 /nfs/dbraw/zinc/72/56/71/390725671.db2.gz GQJGDGSNACQIGI-CQSZACIVSA-N 2 2 276.384 0.224 20 0 CCADLP CN(CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccccc1 ZINC000646833719 390725672 /nfs/dbraw/zinc/72/56/72/390725672.db2.gz GQJGDGSNACQIGI-CQSZACIVSA-N 2 2 276.384 0.224 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C[NH+](C)C ZINC000646607179 390699474 /nfs/dbraw/zinc/69/94/74/390699474.db2.gz MECZYQWUXPDYPU-NEPJUHHUSA-N 2 2 264.373 0.759 20 0 CCADLP CC[NH+]1CCC(NC(=O)[C@H](c2c[nH+]cn2C)N(C)C)CC1 ZINC000646618113 390700368 /nfs/dbraw/zinc/70/03/68/390700368.db2.gz DNGVIJCJXHBOBR-AWEZNQCLSA-N 2 2 293.415 0.623 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@](C)([NH3+])c2ccccc2)CCO1 ZINC000572003270 390763542 /nfs/dbraw/zinc/76/35/42/390763542.db2.gz MAPXUMFDRZTVIR-CJNGLKHVSA-N 2 2 291.395 0.697 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@](C)([NH3+])c2ccccc2)CCO1 ZINC000572003270 390763544 /nfs/dbraw/zinc/76/35/44/390763544.db2.gz MAPXUMFDRZTVIR-CJNGLKHVSA-N 2 2 291.395 0.697 20 0 CCADLP C[N@@H+]1CCN(C(=O)Nc2cccc3c2OCC3)[C@@H](C[NH3+])C1 ZINC000528700358 390769351 /nfs/dbraw/zinc/76/93/51/390769351.db2.gz KTRHZVOJFVWZFG-LBPRGKRZSA-N 2 2 290.367 0.728 20 0 CCADLP C[N@H+]1CCN(C(=O)Nc2cccc3c2OCC3)[C@@H](C[NH3+])C1 ZINC000528700358 390769353 /nfs/dbraw/zinc/76/93/53/390769353.db2.gz KTRHZVOJFVWZFG-LBPRGKRZSA-N 2 2 290.367 0.728 20 0 CCADLP [NH3+][C@@H]1CCC[C@H](CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000647073658 390769948 /nfs/dbraw/zinc/76/99/48/390769948.db2.gz YOQINUZHWBUGOK-AEJSXWLSSA-N 2 2 261.316 0.617 20 0 CCADLP Cc1cccc2[nH+]c(CCNC(=O)[C@@H](C)C[NH3+])cn21 ZINC000647098331 390775404 /nfs/dbraw/zinc/77/54/04/390775404.db2.gz MACRHLKJMSQSSK-JTQLQIEISA-N 2 2 260.341 0.896 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528790458 390779159 /nfs/dbraw/zinc/77/91/59/390779159.db2.gz XNHCALXAQJPLSE-LJPSSGMGSA-N 2 2 288.457 0.673 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528790458 390779160 /nfs/dbraw/zinc/77/91/60/390779160.db2.gz XNHCALXAQJPLSE-LJPSSGMGSA-N 2 2 288.457 0.673 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528790458 390779161 /nfs/dbraw/zinc/77/91/61/390779161.db2.gz XNHCALXAQJPLSE-LJPSSGMGSA-N 2 2 288.457 0.673 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528790458 390779162 /nfs/dbraw/zinc/77/91/62/390779162.db2.gz XNHCALXAQJPLSE-LJPSSGMGSA-N 2 2 288.457 0.673 20 0 CCADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cncnc2OC)C1 ZINC000647172083 390782055 /nfs/dbraw/zinc/78/20/55/390782055.db2.gz HOOADKFDOMGQMW-LLVKDONJSA-N 2 2 250.346 0.917 20 0 CCADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2cncnc2OC)C1 ZINC000647172083 390782057 /nfs/dbraw/zinc/78/20/57/390782057.db2.gz HOOADKFDOMGQMW-LLVKDONJSA-N 2 2 250.346 0.917 20 0 CCADLP C[C@@H]1CC[C@@H](CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000572519780 390787678 /nfs/dbraw/zinc/78/76/78/390787678.db2.gz VSTLTFMTLPALDB-JHJVBQTASA-N 2 2 253.390 0.914 20 0 CCADLP C[C@@H]1CC[C@@H](CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000572519780 390787679 /nfs/dbraw/zinc/78/76/79/390787679.db2.gz VSTLTFMTLPALDB-JHJVBQTASA-N 2 2 253.390 0.914 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](CCOC)[C@H]1CCO[C@H]1C ZINC000572852183 390807284 /nfs/dbraw/zinc/80/72/84/390807284.db2.gz ASCUBWWBGGDCHL-IHRRRGAJSA-N 2 2 274.405 0.425 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](CCOC)[C@H]1CCO[C@H]1C ZINC000572852183 390807285 /nfs/dbraw/zinc/80/72/85/390807285.db2.gz ASCUBWWBGGDCHL-IHRRRGAJSA-N 2 2 274.405 0.425 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](CCOC)[C@H]1CCO[C@H]1C ZINC000572852183 390807288 /nfs/dbraw/zinc/80/72/88/390807288.db2.gz ASCUBWWBGGDCHL-IHRRRGAJSA-N 2 2 274.405 0.425 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](CCOC)[C@H]1CCO[C@H]1C ZINC000572852183 390807290 /nfs/dbraw/zinc/80/72/90/390807290.db2.gz ASCUBWWBGGDCHL-IHRRRGAJSA-N 2 2 274.405 0.425 20 0 CCADLP C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)nn3)[C@@H]2C1 ZINC000646922078 390741810 /nfs/dbraw/zinc/74/18/10/390741810.db2.gz JKCFQOCMGNAGJI-WCQYABFASA-N 2 2 298.350 0.438 20 0 CCADLP C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)nn3)[C@@H]2C1 ZINC000646922078 390741811 /nfs/dbraw/zinc/74/18/11/390741811.db2.gz JKCFQOCMGNAGJI-WCQYABFASA-N 2 2 298.350 0.438 20 0 CCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000571623223 390744588 /nfs/dbraw/zinc/74/45/88/390744588.db2.gz RKJBUFFRYBGJJX-GFCCVEGCSA-N 2 2 288.355 0.359 20 0 CCADLP O[C@H](C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)C(F)(F)F ZINC000571715282 390750010 /nfs/dbraw/zinc/75/00/10/390750010.db2.gz BVVMKXBEPQAWBE-MRVPVSSYSA-N 2 2 264.251 0.455 20 0 CCADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)[C@@H](C)O)nc[nH+]1 ZINC000578019552 390859715 /nfs/dbraw/zinc/85/97/15/390859715.db2.gz KDKGLIFAAZDZQI-IJLUTSLNSA-N 2 2 279.388 0.846 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000578079806 390863698 /nfs/dbraw/zinc/86/36/98/390863698.db2.gz DAINNEHZGLUBSP-KGLIPLIRSA-N 3 2 257.422 0.715 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000578079806 390863701 /nfs/dbraw/zinc/86/37/01/390863701.db2.gz DAINNEHZGLUBSP-KGLIPLIRSA-N 3 2 257.422 0.715 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000578079806 390863702 /nfs/dbraw/zinc/86/37/02/390863702.db2.gz DAINNEHZGLUBSP-KGLIPLIRSA-N 3 2 257.422 0.715 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000578079806 390863704 /nfs/dbraw/zinc/86/37/04/390863704.db2.gz DAINNEHZGLUBSP-KGLIPLIRSA-N 3 2 257.422 0.715 20 0 CCADLP Cc1cc(CNC(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc(C)[nH+]1 ZINC000578126378 390865424 /nfs/dbraw/zinc/86/54/24/390865424.db2.gz SWTGVYGZGDUPHD-OAHLLOKOSA-N 2 2 292.383 0.564 20 0 CCADLP Cc1cc(CNC(=O)NC[C@]2(O)CC[N@H+](C)C2)cc(C)[nH+]1 ZINC000578126378 390865425 /nfs/dbraw/zinc/86/54/25/390865425.db2.gz SWTGVYGZGDUPHD-OAHLLOKOSA-N 2 2 292.383 0.564 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)[C@H]([NH3+])c2cscn2)C[C@H]1C ZINC000578190159 390869515 /nfs/dbraw/zinc/86/95/15/390869515.db2.gz XGERCTHDOKNNNK-ZYHUDNBSSA-N 2 2 298.412 0.322 20 0 CCADLP COCC[N@H+]1CCN(C(=O)[C@H]([NH3+])c2cscn2)C[C@H]1C ZINC000578190159 390869517 /nfs/dbraw/zinc/86/95/17/390869517.db2.gz XGERCTHDOKNNNK-ZYHUDNBSSA-N 2 2 298.412 0.322 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@@H]2CC23CC3)C[C@@H](C)O1 ZINC000572953344 390813241 /nfs/dbraw/zinc/81/32/41/390813241.db2.gz GHHOJSWERWLXHJ-YIYPIFLZSA-N 2 2 268.401 0.846 20 0 CCADLP O=C(NC[C@@H]1COCC[NH2+]1)N1CCC(n2cc[nH+]c2)CC1 ZINC000529373027 390821297 /nfs/dbraw/zinc/82/12/97/390821297.db2.gz CJFUICRGYKHGCF-GFCCVEGCSA-N 2 2 293.371 0.218 20 0 CCADLP c1nc2ccccn2c1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000647541595 390838880 /nfs/dbraw/zinc/83/88/80/390838880.db2.gz AVUDFWRBKJPHTM-CQSZACIVSA-N 2 2 285.395 0.814 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]([NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000647546772 390839198 /nfs/dbraw/zinc/83/91/98/390839198.db2.gz AUQRSQZBTVEJFE-QJPTWQEYSA-N 3 2 294.365 0.410 20 0 CCADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nncn2C)C1 ZINC000534107030 390888078 /nfs/dbraw/zinc/88/80/78/390888078.db2.gz CVZSXSMQKYURRR-CYBMUJFWSA-N 2 2 281.404 0.748 20 0 CCADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nncn2C)C1 ZINC000534107030 390888079 /nfs/dbraw/zinc/88/80/79/390888079.db2.gz CVZSXSMQKYURRR-CYBMUJFWSA-N 2 2 281.404 0.748 20 0 CCADLP C[C@H](O)CNc1cc(N2CCC(CC[NH3+])CC2)nc[nH+]1 ZINC000578511723 390888499 /nfs/dbraw/zinc/88/84/99/390888499.db2.gz CMFWJLYKXYMMAX-NSHDSACASA-N 2 2 279.388 0.835 20 0 CCADLP C[C@H](O)CNc1cc(N2CCC(CC[NH3+])CC2)[nH+]cn1 ZINC000578511723 390888500 /nfs/dbraw/zinc/88/85/00/390888500.db2.gz CMFWJLYKXYMMAX-NSHDSACASA-N 2 2 279.388 0.835 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCCn1cc[nH+]c1 ZINC000578640664 390895893 /nfs/dbraw/zinc/89/58/93/390895893.db2.gz UNCINGXFWGYRHU-NSHDSACASA-N 2 2 261.329 0.991 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])C2CCC2)C[C@H]1C ZINC000423904669 533420814 /nfs/dbraw/zinc/42/08/14/533420814.db2.gz YCSDHOXRVPNSOW-RISCZKNCSA-N 2 2 297.399 0.210 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]([NH3+])C2CCC2)C[C@H]1C ZINC000423904669 533420818 /nfs/dbraw/zinc/42/08/18/533420818.db2.gz YCSDHOXRVPNSOW-RISCZKNCSA-N 2 2 297.399 0.210 20 0 CCADLP COC(=O)COC[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000449164718 533549109 /nfs/dbraw/zinc/54/91/09/533549109.db2.gz QTBSNQMFNFTXDO-OLZOCXBDSA-N 2 2 288.388 0.122 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](CC)C[C@H]2C)C1 ZINC000341771033 130007786 /nfs/dbraw/zinc/00/77/86/130007786.db2.gz FMCQIACFGIVHCE-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](CC)C[C@H]2C)C1 ZINC000341771033 130007788 /nfs/dbraw/zinc/00/77/88/130007788.db2.gz FMCQIACFGIVHCE-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)[C@H](C)C1 ZINC000341771033 130007789 /nfs/dbraw/zinc/00/77/89/130007789.db2.gz FMCQIACFGIVHCE-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)[C@H](C)C1 ZINC000341771033 130007790 /nfs/dbraw/zinc/00/77/90/130007790.db2.gz FMCQIACFGIVHCE-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](C)C1 ZINC000341836055 130081820 /nfs/dbraw/zinc/08/18/20/130081820.db2.gz CRHDLRPVFCKWCA-UONOGXRCSA-N 2 2 283.416 0.648 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](C)C1 ZINC000341836055 130081823 /nfs/dbraw/zinc/08/18/23/130081823.db2.gz CRHDLRPVFCKWCA-UONOGXRCSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@@H](C)C1 ZINC000341836055 130081827 /nfs/dbraw/zinc/08/18/27/130081827.db2.gz CRHDLRPVFCKWCA-UONOGXRCSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@@H](C)C1 ZINC000341836055 130081829 /nfs/dbraw/zinc/08/18/29/130081829.db2.gz CRHDLRPVFCKWCA-UONOGXRCSA-N 2 2 283.416 0.648 20 0 CCADLP COc1cccc(S(=O)(=O)CC[NH2+]CC2([NH3+])CCC2)c1 ZINC000342147628 130340234 /nfs/dbraw/zinc/34/02/34/130340234.db2.gz UOGNXPQJQNUBGN-UHFFFAOYSA-N 2 2 298.408 0.940 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCn3nccc32)C1 ZINC000657974308 413081400 /nfs/dbraw/zinc/08/14/00/413081400.db2.gz NBHHDJLNQNLTQJ-DGCLKSJQSA-N 2 2 250.346 0.374 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCn3nccc32)C1 ZINC000657974308 413081404 /nfs/dbraw/zinc/08/14/04/413081404.db2.gz NBHHDJLNQNLTQJ-DGCLKSJQSA-N 2 2 250.346 0.374 20 0 CCADLP OC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CCC1 ZINC000658086363 413097103 /nfs/dbraw/zinc/09/71/03/413097103.db2.gz HXIALXZPNHJULQ-CABCVRRESA-N 2 2 268.401 0.990 20 0 CCADLP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357074578 144057209 /nfs/dbraw/zinc/05/72/09/144057209.db2.gz IHAWEHGUYSDBAC-CHWSQXEVSA-N 2 2 251.374 0.396 20 0 CCADLP CN(CC1CC1)C(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357074578 144057211 /nfs/dbraw/zinc/05/72/11/144057211.db2.gz IHAWEHGUYSDBAC-CHWSQXEVSA-N 2 2 251.374 0.396 20 0 CCADLP CC(C)CCNC(=O)[C@@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357652340 144109205 /nfs/dbraw/zinc/10/92/05/144109205.db2.gz VHXSBBYKRVVMDC-CQSZACIVSA-N 2 2 299.459 0.926 20 0 CCADLP CC(C)CCNC(=O)[C@@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357652340 144109206 /nfs/dbraw/zinc/10/92/06/144109206.db2.gz VHXSBBYKRVVMDC-CQSZACIVSA-N 2 2 299.459 0.926 20 0 CCADLP Cc1cccc2[nH+]cc(CN3CCO[C@@H](C[NH3+])C3)n21 ZINC000357962959 144137408 /nfs/dbraw/zinc/13/74/08/144137408.db2.gz HWNQULNIBYCFAJ-ZDUSSCGKSA-N 2 2 260.341 0.802 20 0 CCADLP CC(=O)Nc1ccccc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358132823 144155842 /nfs/dbraw/zinc/15/58/42/144155842.db2.gz HGNPKRZZVIJYLE-HNNXBMFYSA-N 2 2 277.368 0.801 20 0 CCADLP CC(=O)Nc1ccccc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358132823 144155843 /nfs/dbraw/zinc/15/58/43/144155843.db2.gz HGNPKRZZVIJYLE-HNNXBMFYSA-N 2 2 277.368 0.801 20 0 CCADLP C[C@H]1C[C@H](C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CC[NH2+]1 ZINC000358701800 144174081 /nfs/dbraw/zinc/17/40/81/144174081.db2.gz YSCDRTFALANXGF-QWHCGFSZSA-N 2 2 291.399 0.442 20 0 CCADLP Cn1cccc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369273591 144260929 /nfs/dbraw/zinc/26/09/29/144260929.db2.gz HUKCOTGWNNTMKA-ZDUSSCGKSA-N 2 2 290.411 0.923 20 0 CCADLP Cn1cccc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369273591 144260930 /nfs/dbraw/zinc/26/09/30/144260930.db2.gz HUKCOTGWNNTMKA-ZDUSSCGKSA-N 2 2 290.411 0.923 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC(C)(C)O)C2)CC1 ZINC000369370346 144265924 /nfs/dbraw/zinc/26/59/24/144265924.db2.gz OHZSHUOFYGFTLG-GFCCVEGCSA-N 2 2 298.431 0.225 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC(C)(C)O)C2)CC1 ZINC000369370346 144265925 /nfs/dbraw/zinc/26/59/25/144265925.db2.gz OHZSHUOFYGFTLG-GFCCVEGCSA-N 2 2 298.431 0.225 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000369973718 144285773 /nfs/dbraw/zinc/28/57/73/144285773.db2.gz MJVBLWOPDLSAHS-ZDUSSCGKSA-N 2 2 283.416 0.746 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000369973718 144285775 /nfs/dbraw/zinc/28/57/75/144285775.db2.gz MJVBLWOPDLSAHS-ZDUSSCGKSA-N 2 2 283.416 0.746 20 0 CCADLP CC[C@H]([NH3+])C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000370755726 144314992 /nfs/dbraw/zinc/31/49/92/144314992.db2.gz GESSYXSKPGODQM-NSHDSACASA-N 2 2 259.313 0.621 20 0 CCADLP O=C1NCCN1[C@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000371481374 144332985 /nfs/dbraw/zinc/33/29/85/144332985.db2.gz VEHYOVUECMCICV-ZDUSSCGKSA-N 2 2 277.372 0.763 20 0 CCADLP O=C1NCCN1[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000371481374 144332986 /nfs/dbraw/zinc/33/29/86/144332986.db2.gz VEHYOVUECMCICV-ZDUSSCGKSA-N 2 2 277.372 0.763 20 0 CCADLP C[C@H](CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2)Cn1cc[nH+]c1 ZINC000372425341 144366660 /nfs/dbraw/zinc/36/66/60/144366660.db2.gz HZIIJIYKNXDDAK-YRGRVCCFSA-N 2 2 262.357 0.635 20 0 CCADLP Cc1nc(N2CC[C@]3(CC[N@H+](C)C3)C2)nc(N(C)C)[nH+]1 ZINC000488752259 397558963 /nfs/dbraw/zinc/55/89/63/397558963.db2.gz OJDYIGHULBMZNI-AWEZNQCLSA-N 2 2 276.388 0.778 20 0 CCADLP Cc1nc(N2CC[C@]3(CC[N@@H+](C)C3)C2)nc(N(C)C)[nH+]1 ZINC000488752259 397558968 /nfs/dbraw/zinc/55/89/68/397558968.db2.gz OJDYIGHULBMZNI-AWEZNQCLSA-N 2 2 276.388 0.778 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+]([C@@H]2C=CCCC2)CC1=O ZINC000649688077 397657135 /nfs/dbraw/zinc/65/71/35/397657135.db2.gz QDTRAYDZNCEBOH-CYBMUJFWSA-N 2 2 251.374 0.801 20 0 CCADLP C[NH+](C)CCN1CC[N@H+]([C@@H]2C=CCCC2)CC1=O ZINC000649688077 397657138 /nfs/dbraw/zinc/65/71/38/397657138.db2.gz QDTRAYDZNCEBOH-CYBMUJFWSA-N 2 2 251.374 0.801 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C[N@@H+]1C1CC1 ZINC000548256772 286020456 /nfs/dbraw/zinc/02/04/56/286020456.db2.gz BWRUONSTZGGZRT-WDEREUQCSA-N 2 2 262.357 0.704 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C[N@H+]1C1CC1 ZINC000548256772 286020457 /nfs/dbraw/zinc/02/04/57/286020457.db2.gz BWRUONSTZGGZRT-WDEREUQCSA-N 2 2 262.357 0.704 20 0 CCADLP C[N@H+](CC(=O)N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCSC1 ZINC000548311785 286025571 /nfs/dbraw/zinc/02/55/71/286025571.db2.gz DJCZATCTVGEZRM-VXGBXAGGSA-N 2 2 294.424 0.751 20 0 CCADLP C[N@@H+](CC(=O)N[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCSC1 ZINC000548311785 286025573 /nfs/dbraw/zinc/02/55/73/286025573.db2.gz DJCZATCTVGEZRM-VXGBXAGGSA-N 2 2 294.424 0.751 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000548519327 286045369 /nfs/dbraw/zinc/04/53/69/286045369.db2.gz JBTICINNJKTYPD-GXTWGEPZSA-N 2 2 276.384 0.905 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000548519327 286045372 /nfs/dbraw/zinc/04/53/72/286045372.db2.gz JBTICINNJKTYPD-GXTWGEPZSA-N 2 2 276.384 0.905 20 0 CCADLP C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000549098219 286086318 /nfs/dbraw/zinc/08/63/18/286086318.db2.gz UJHWUNWSALXNDA-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000549098219 286086322 /nfs/dbraw/zinc/08/63/22/286086322.db2.gz UJHWUNWSALXNDA-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337273851 292360521 /nfs/dbraw/zinc/36/05/21/292360521.db2.gz PGTORYULGRXDNB-AWEZNQCLSA-N 2 2 285.432 0.945 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337273851 292360522 /nfs/dbraw/zinc/36/05/22/292360522.db2.gz PGTORYULGRXDNB-AWEZNQCLSA-N 2 2 285.432 0.945 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365402367 292361028 /nfs/dbraw/zinc/36/10/28/292361028.db2.gz IVIQAMQFGRGEBV-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365402367 292361030 /nfs/dbraw/zinc/36/10/30/292361030.db2.gz IVIQAMQFGRGEBV-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP Cc1[nH+]c2cc(NC(=O)c3cn(CC[NH3+])nn3)ccc2n1C ZINC000659251703 413358326 /nfs/dbraw/zinc/35/83/26/413358326.db2.gz JQDDQFWZIKCKNZ-UHFFFAOYSA-N 2 2 299.338 0.684 20 0 CCADLP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000659284335 413375871 /nfs/dbraw/zinc/37/58/71/413375871.db2.gz HDULPHFLTBMTPM-AWEZNQCLSA-N 2 2 299.415 0.062 20 0 CCADLP C[C@H](CCCC[NH3+])[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423423762 298391771 /nfs/dbraw/zinc/39/17/71/298391771.db2.gz FCJALLFTKBDEQR-XBFCOCLRSA-N 3 2 255.406 0.861 20 0 CCADLP C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423394538 287031531 /nfs/dbraw/zinc/03/15/31/287031531.db2.gz QHOMDQGYBCCPEB-GRYCIOLGSA-N 3 2 294.365 0.553 20 0 CCADLP C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000443343258 287114784 /nfs/dbraw/zinc/11/47/84/287114784.db2.gz IPSRHMIPHVOHQR-MGPQQGTHSA-N 2 2 283.416 0.242 20 0 CCADLP C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000443343258 287114788 /nfs/dbraw/zinc/11/47/88/287114788.db2.gz IPSRHMIPHVOHQR-MGPQQGTHSA-N 2 2 283.416 0.242 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccccn1 ZINC000311454737 411750092 /nfs/dbraw/zinc/75/00/92/411750092.db2.gz KFSNLOGELIOCRE-CHWSQXEVSA-N 2 2 267.373 0.671 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccccn1 ZINC000311454737 411750095 /nfs/dbraw/zinc/75/00/95/411750095.db2.gz KFSNLOGELIOCRE-CHWSQXEVSA-N 2 2 267.373 0.671 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccnc1 ZINC000311704613 411751381 /nfs/dbraw/zinc/75/13/81/411751381.db2.gz MPVVFANAAZDWJD-OCCSQVGLSA-N 2 2 267.373 0.671 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccnc1 ZINC000311704613 411751386 /nfs/dbraw/zinc/75/13/86/411751386.db2.gz MPVVFANAAZDWJD-OCCSQVGLSA-N 2 2 267.373 0.671 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000313950908 411755324 /nfs/dbraw/zinc/75/53/24/411755324.db2.gz DBKORIHTBAFZJK-ZDUSSCGKSA-N 2 2 267.373 0.824 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000313950908 411755330 /nfs/dbraw/zinc/75/53/30/411755330.db2.gz DBKORIHTBAFZJK-ZDUSSCGKSA-N 2 2 267.373 0.824 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]([NH2+]CC(=O)NCC(F)(F)F)C1 ZINC000401710042 411781618 /nfs/dbraw/zinc/78/16/18/411781618.db2.gz HKDLAQFGVZTTDA-JGVFFNPUSA-N 2 2 253.268 0.253 20 0 CCADLP COc1cc(C)[nH+]c(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000405448242 411801456 /nfs/dbraw/zinc/80/14/56/411801456.db2.gz FYFNEKKEGMAENH-UONOGXRCSA-N 2 2 277.368 0.649 20 0 CCADLP COc1cc(C)[nH+]c(CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000405448242 411801458 /nfs/dbraw/zinc/80/14/58/411801458.db2.gz FYFNEKKEGMAENH-UONOGXRCSA-N 2 2 277.368 0.649 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407302706 411805262 /nfs/dbraw/zinc/80/52/62/411805262.db2.gz CSIWOHIUCZQHHM-RYUDHWBXSA-N 2 2 262.357 0.909 20 0 CCADLP O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CCn2cc[nH+]c2C1 ZINC000407445944 411808796 /nfs/dbraw/zinc/80/87/96/411808796.db2.gz XLRLGJMFEWMXFJ-NEPJUHHUSA-N 2 2 260.341 0.756 20 0 CCADLP C[NH+](C)C[C@](C)(O)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651565876 411898541 /nfs/dbraw/zinc/89/85/41/411898541.db2.gz DEQCOSIVPXDJKN-OAHLLOKOSA-N 2 2 294.399 0.191 20 0 CCADLP COc1ccc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)c(F)c1 ZINC000651690868 411920016 /nfs/dbraw/zinc/92/00/16/411920016.db2.gz ZJNOSDJHAKLJPF-UHFFFAOYSA-N 2 2 295.358 0.698 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651703339 411921386 /nfs/dbraw/zinc/92/13/86/411921386.db2.gz VNTBSMZVAZDYQT-UHFFFAOYSA-N 2 2 287.367 0.854 20 0 CCADLP COCC[NH+]1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000284498787 196070767 /nfs/dbraw/zinc/07/07/67/196070767.db2.gz YYGUBIHOAJFICU-UHFFFAOYSA-N 2 2 288.351 0.739 20 0 CCADLP C[C@@H](NC(=O)NCCC1(C[NH3+])CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000652147385 411993366 /nfs/dbraw/zinc/99/33/66/411993366.db2.gz RXSGWTOLKHPTAL-CHWSQXEVSA-N 2 2 298.431 0.524 20 0 CCADLP O=C(NCCC1CC[NH2+]CC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000652180303 411997311 /nfs/dbraw/zinc/99/73/11/411997311.db2.gz PDIUFMNVGOUDRH-CYBMUJFWSA-N 2 2 291.399 0.887 20 0 CCADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000652339840 412032196 /nfs/dbraw/zinc/03/21/96/412032196.db2.gz PENSCXAECKRYKA-AWEZNQCLSA-N 3 2 264.373 0.174 20 0 CCADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000284559272 196085245 /nfs/dbraw/zinc/08/52/45/196085245.db2.gz HDSAXPIQFJWNBQ-LOWVWBTDSA-N 2 2 280.372 0.321 20 0 CCADLP [NH3+]CCC[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000020181750 171045510 /nfs/dbraw/zinc/04/55/10/171045510.db2.gz MNKRKANKLZTCIA-UHFFFAOYSA-N 2 2 265.332 0.932 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC000653094116 412215311 /nfs/dbraw/zinc/21/53/11/412215311.db2.gz XMZIRYDNUWRGAQ-BDAKNGLRSA-N 2 2 283.294 0.055 20 0 CCADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653055229 412203317 /nfs/dbraw/zinc/20/33/17/412203317.db2.gz YPSDRSKGQXCODC-NWDGAFQWSA-N 3 2 258.410 0.097 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCOc1ccccc1F ZINC000653058052 412205204 /nfs/dbraw/zinc/20/52/04/412205204.db2.gz BCTNJKHYSBFEBY-GFCCVEGCSA-N 2 2 283.347 0.600 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CCc2ccccc2C1 ZINC000653060422 412205505 /nfs/dbraw/zinc/20/55/05/412205505.db2.gz CRLNHTXEXXYIJM-GJZGRUSLSA-N 2 2 275.396 0.939 20 0 CCADLP COCc1ccccc1CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653068469 412206975 /nfs/dbraw/zinc/20/69/75/412206975.db2.gz DZQOGABDUKBWRJ-CQSZACIVSA-N 2 2 279.384 0.728 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc2nccnc2c1 ZINC000653065933 412207337 /nfs/dbraw/zinc/20/73/37/412207337.db2.gz ZYIBNRRSTJMDLH-NSHDSACASA-N 2 2 273.340 0.847 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCc1cc(F)cc(F)c1 ZINC000653081355 412211484 /nfs/dbraw/zinc/21/14/84/412211484.db2.gz MDADOGGFTSOFFL-CYBMUJFWSA-N 2 2 285.338 0.903 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC(=O)Nc1cccc(F)c1 ZINC000653081379 412212092 /nfs/dbraw/zinc/21/20/92/412212092.db2.gz NASZVLCWHGZWFL-GFCCVEGCSA-N 2 2 296.346 0.159 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H]1OCCc2ccccc21 ZINC000653090543 412213698 /nfs/dbraw/zinc/21/36/98/412213698.db2.gz RYXADQSTVRVNHI-LSDHHAIUSA-N 2 2 291.395 0.696 20 0 CCADLP CN(CCC1CCOCC1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653095017 412216251 /nfs/dbraw/zinc/21/62/51/412216251.db2.gz XWPSTXYFKXGGFI-ZDUSSCGKSA-N 2 2 271.405 0.541 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCSC(C)(C)C1 ZINC000653092910 412216347 /nfs/dbraw/zinc/21/63/47/412216347.db2.gz PLSNUKPSWHJSMR-JTQLQIEISA-N 2 2 259.419 0.619 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000653110329 412222161 /nfs/dbraw/zinc/22/21/61/412222161.db2.gz CZDXJJPGRCELIK-CQSZACIVSA-N 3 2 278.400 0.966 20 0 CCADLP CCCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653114824 412225908 /nfs/dbraw/zinc/22/59/08/412225908.db2.gz XVMLJUGUNVMOCP-LBPRGKRZSA-N 3 2 258.410 0.114 20 0 CCADLP CCCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653114824 412225910 /nfs/dbraw/zinc/22/59/10/412225910.db2.gz XVMLJUGUNVMOCP-LBPRGKRZSA-N 3 2 258.410 0.114 20 0 CCADLP CN(C)c1nc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)cs1 ZINC000653120214 412229149 /nfs/dbraw/zinc/22/91/49/412229149.db2.gz KCZQRKCAMIQTAN-JTQLQIEISA-N 2 2 285.417 0.104 20 0 CCADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653119284 412230567 /nfs/dbraw/zinc/23/05/67/412230567.db2.gz FCLNJDTUAALJQS-KBPBESRZSA-N 3 2 284.448 0.360 20 0 CCADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653119284 412230570 /nfs/dbraw/zinc/23/05/70/412230570.db2.gz FCLNJDTUAALJQS-KBPBESRZSA-N 3 2 284.448 0.360 20 0 CCADLP Cc1cc(N)cc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000653146348 412240584 /nfs/dbraw/zinc/24/05/84/412240584.db2.gz KLHKWVKWKDSCSM-ZDUSSCGKSA-N 2 2 264.373 0.472 20 0 CCADLP COc1cc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)ccc1O ZINC000653147984 412242043 /nfs/dbraw/zinc/24/20/43/412242043.db2.gz JASFUTPBFHZSGP-LLVKDONJSA-N 2 2 281.356 0.296 20 0 CCADLP COc1cnccc1[C@@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653151518 412242779 /nfs/dbraw/zinc/24/27/79/412242779.db2.gz JHJFCHKIHSAYGE-ZYHUDNBSSA-N 2 2 280.372 0.546 20 0 CCADLP CCN(CCc1nccs1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653153148 412245575 /nfs/dbraw/zinc/24/55/75/412245575.db2.gz JVZXVUCZCWUHKK-NSHDSACASA-N 2 2 284.429 0.813 20 0 CCADLP C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653156155 412245764 /nfs/dbraw/zinc/24/57/64/412245764.db2.gz SYTJTVKIMIBZSB-WDEREUQCSA-N 2 2 286.420 0.027 20 0 CCADLP CCOC1CC(CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653160796 412246482 /nfs/dbraw/zinc/24/64/82/412246482.db2.gz XARNQHAPXHZXLU-BPCQOVAHSA-N 2 2 271.405 0.587 20 0 CCADLP CCOC1CC(CCNC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653160797 412246543 /nfs/dbraw/zinc/24/65/43/412246543.db2.gz XARNQHAPXHZXLU-WXRRBKDZSA-N 2 2 271.405 0.587 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000653162653 412248303 /nfs/dbraw/zinc/24/83/03/412248303.db2.gz VTPVVLGDZBSHFG-GJZGRUSLSA-N 3 2 292.427 0.862 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H]1CC12CCSCC2 ZINC000653165489 412249646 /nfs/dbraw/zinc/24/96/46/412249646.db2.gz PFECTYUJUUXENN-RYUDHWBXSA-N 2 2 285.457 0.915 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000653499306 412308903 /nfs/dbraw/zinc/30/89/03/412308903.db2.gz FSBPQYSIOWVINC-ZIAGYGMSSA-N 2 2 296.415 0.528 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000653499306 412308907 /nfs/dbraw/zinc/30/89/07/412308907.db2.gz FSBPQYSIOWVINC-ZIAGYGMSSA-N 2 2 296.415 0.528 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000653499306 412308910 /nfs/dbraw/zinc/30/89/10/412308910.db2.gz FSBPQYSIOWVINC-ZIAGYGMSSA-N 2 2 296.415 0.528 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000653499306 412308913 /nfs/dbraw/zinc/30/89/13/412308913.db2.gz FSBPQYSIOWVINC-ZIAGYGMSSA-N 2 2 296.415 0.528 20 0 CCADLP CNC(=O)N1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000653583433 412321226 /nfs/dbraw/zinc/32/12/26/412321226.db2.gz CAMNWLDKCKVACR-UHFFFAOYSA-N 2 2 265.361 0.310 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](CC(=O)NC)c1ccccc1 ZINC000653656480 412331205 /nfs/dbraw/zinc/33/12/05/412331205.db2.gz DTKPLTJFNHZDBH-GJZGRUSLSA-N 2 2 293.411 0.766 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](CC(=O)NC)c1ccccc1 ZINC000653656480 412331209 /nfs/dbraw/zinc/33/12/09/412331209.db2.gz DTKPLTJFNHZDBH-GJZGRUSLSA-N 2 2 293.411 0.766 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC([C@H](C)CO)CC1 ZINC000653778754 412345938 /nfs/dbraw/zinc/34/59/38/412345938.db2.gz FSZBWWMTOMOEFW-HIFRSBDPSA-N 2 2 288.432 0.266 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC([C@H](C)CO)CC1 ZINC000653778754 412345941 /nfs/dbraw/zinc/34/59/41/412345941.db2.gz FSZBWWMTOMOEFW-HIFRSBDPSA-N 2 2 288.432 0.266 20 0 CCADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCCn2cc[nH+]c2)C1 ZINC000653477596 412304877 /nfs/dbraw/zinc/30/48/77/412304877.db2.gz VVPYYGKAJHZCLK-TXEJJXNPSA-N 2 2 265.361 0.523 20 0 CCADLP CC1(C)C[NH+](CC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000654759692 412437391 /nfs/dbraw/zinc/43/73/91/412437391.db2.gz PFMHJXNNJJPXSO-ZDUSSCGKSA-N 2 2 265.401 0.929 20 0 CCADLP CC1(C)C[NH+](CC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000654759692 412437392 /nfs/dbraw/zinc/43/73/92/412437392.db2.gz PFMHJXNNJJPXSO-ZDUSSCGKSA-N 2 2 265.401 0.929 20 0 CCADLP O=C(NCc1cn2ccccc2[nH+]1)NCC12CC(C1)C[NH2+]2 ZINC000659428279 413494180 /nfs/dbraw/zinc/49/41/80/413494180.db2.gz PZRXBSCEIIMKPW-UHFFFAOYSA-N 2 2 285.351 0.886 20 0 CCADLP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000659435753 413497583 /nfs/dbraw/zinc/49/75/83/413497583.db2.gz MTHRTTXTWYZZBB-QWHCGFSZSA-N 2 2 286.420 0.380 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c2[nH+]ccn21 ZINC000659501344 413554818 /nfs/dbraw/zinc/55/48/18/413554818.db2.gz KNEHPCSDWRHGRC-GWOFURMSSA-N 2 2 281.335 0.970 20 0 CCADLP C[C@@H](NC(=O)NCCC[NH2+]C1CC1)c1[nH+]ccn1C ZINC000659505760 413562629 /nfs/dbraw/zinc/56/26/29/413562629.db2.gz DZGKNIHEDZCLRQ-SNVBAGLBSA-N 2 2 265.361 0.922 20 0 CCADLP [NH3+]CCCNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000659509999 413572566 /nfs/dbraw/zinc/57/25/66/413572566.db2.gz KTVHFZZQQYIIDP-UHFFFAOYSA-N 2 2 284.404 0.089 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000659552620 413644413 /nfs/dbraw/zinc/64/44/13/413644413.db2.gz ZOTIVLNBBOOSGC-AWEZNQCLSA-N 2 2 298.431 0.478 20 0 CCADLP C[C@@H](NC(=O)NC[C@H]([NH3+])C1CC1)c1[nH+]ccn1C ZINC000659529164 413609132 /nfs/dbraw/zinc/60/91/32/413609132.db2.gz ZPUYHGJVAZHHCU-SCZZXKLOSA-N 2 2 251.334 0.518 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2C(C)(C)C2(F)F)[C@@H](C[NH3+])C1 ZINC000659609609 413691744 /nfs/dbraw/zinc/69/17/44/413691744.db2.gz KINRLTOUEPAXQY-VHSXEESVSA-N 2 2 290.358 0.562 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@@H]2C(C)(C)C2(F)F)[C@@H](C[NH3+])C1 ZINC000659609609 413691751 /nfs/dbraw/zinc/69/17/51/413691751.db2.gz KINRLTOUEPAXQY-VHSXEESVSA-N 2 2 290.358 0.562 20 0 CCADLP CC(C)[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000659609940 413695346 /nfs/dbraw/zinc/69/53/46/413695346.db2.gz YGEMPUNYFXWSJK-STQMWFEESA-N 2 2 268.405 0.705 20 0 CCADLP CC(C)[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000659609940 413695352 /nfs/dbraw/zinc/69/53/52/413695352.db2.gz YGEMPUNYFXWSJK-STQMWFEESA-N 2 2 268.405 0.705 20 0 CCADLP C[NH2+][C@H]1CCCN(C(=O)N[C@@H](C)c2[nH+]ccn2C)C1 ZINC000659626664 413723870 /nfs/dbraw/zinc/72/38/70/413723870.db2.gz CYGGTXUXPGWJJP-QWRGUYRKSA-N 2 2 265.361 0.875 20 0 CCADLP C[C@@H](NC(=O)N1CC[NH2+]C[C@](C)(F)C1)c1[nH+]ccn1C ZINC000659629044 413724464 /nfs/dbraw/zinc/72/44/64/413724464.db2.gz TZQSMNIDFYIIHB-MFKMUULPSA-N 2 2 283.351 0.824 20 0 CCADLP C[NH2+]C[C@H]1CCCN1C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000659627697 413724587 /nfs/dbraw/zinc/72/45/87/413724587.db2.gz HYLGFRYHCPMDAV-WDEREUQCSA-N 2 2 265.361 0.875 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000659649853 413755624 /nfs/dbraw/zinc/75/56/24/413755624.db2.gz ZTCKBEZGTNCKHU-JTQLQIEISA-N 2 2 265.361 0.907 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000659649853 413755631 /nfs/dbraw/zinc/75/56/31/413755631.db2.gz ZTCKBEZGTNCKHU-JTQLQIEISA-N 2 2 265.361 0.907 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000659751592 413847859 /nfs/dbraw/zinc/84/78/59/413847859.db2.gz HURWNXUTXWSUSH-QWRGUYRKSA-N 2 2 293.371 0.187 20 0 CCADLP CC(=O)N(C)C1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000659861939 413924087 /nfs/dbraw/zinc/92/40/87/413924087.db2.gz KRTCVEPKARMNBP-OAHLLOKOSA-N 2 2 285.432 0.630 20 0 CCADLP CC(=O)N(C)C1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000659861939 413924096 /nfs/dbraw/zinc/92/40/96/413924096.db2.gz KRTCVEPKARMNBP-OAHLLOKOSA-N 2 2 285.432 0.630 20 0 CCADLP Cn1c[nH+]c(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000659877213 413932303 /nfs/dbraw/zinc/93/23/03/413932303.db2.gz HEUWAKSSOOGKEJ-UHFFFAOYSA-N 2 2 291.399 0.160 20 0 CCADLP C[C@H](O)C[N@H+](C)C1CCN(Cc2cn(C)c[nH+]2)CC1 ZINC000659896713 413951180 /nfs/dbraw/zinc/95/11/80/413951180.db2.gz OXGWTXDBBRGHNF-LBPRGKRZSA-N 2 2 266.389 0.697 20 0 CCADLP C[C@H](O)C[N@@H+](C)C1CCN(Cc2cn(C)c[nH+]2)CC1 ZINC000659896713 413951188 /nfs/dbraw/zinc/95/11/88/413951188.db2.gz OXGWTXDBBRGHNF-LBPRGKRZSA-N 2 2 266.389 0.697 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@H+](CCc2nnn(C(C)(C)C)n2)C1 ZINC000659925430 413972717 /nfs/dbraw/zinc/97/27/17/413972717.db2.gz JCLAFQZURPFXME-LBPRGKRZSA-N 2 2 280.420 0.854 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@@H+](CCc2nnn(C(C)(C)C)n2)C1 ZINC000659925430 413972724 /nfs/dbraw/zinc/97/27/24/413972724.db2.gz JCLAFQZURPFXME-LBPRGKRZSA-N 2 2 280.420 0.854 20 0 CCADLP CCN1CC[C@H]([N@@H+]2CC[C@H](C[NH+](C)CC)C2)C1=O ZINC000659989697 414026757 /nfs/dbraw/zinc/02/67/57/414026757.db2.gz RHKGPZXALZSNQP-OLZOCXBDSA-N 2 2 253.390 0.881 20 0 CCADLP CCN1CC[C@H]([N@H+]2CC[C@H](C[NH+](C)CC)C2)C1=O ZINC000659989697 414026762 /nfs/dbraw/zinc/02/67/62/414026762.db2.gz RHKGPZXALZSNQP-OLZOCXBDSA-N 2 2 253.390 0.881 20 0 CCADLP CCN1CC[C@H]([NH+]2CC[C@H](C[N@H+](C)CC)C2)C1=O ZINC000659989697 414026770 /nfs/dbraw/zinc/02/67/70/414026770.db2.gz RHKGPZXALZSNQP-OLZOCXBDSA-N 2 2 253.390 0.881 20 0 CCADLP CCN1CC[C@H]([NH+]2CC[C@H](C[N@@H+](C)CC)C2)C1=O ZINC000659989697 414026775 /nfs/dbraw/zinc/02/67/75/414026775.db2.gz RHKGPZXALZSNQP-OLZOCXBDSA-N 2 2 253.390 0.881 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@]2(O)CCCOC2)C1 ZINC000660128903 414141019 /nfs/dbraw/zinc/14/10/19/414141019.db2.gz OCQDZTFUAUHYMW-GXTWGEPZSA-N 2 2 265.357 0.751 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@]2(O)CCCOC2)C1 ZINC000660128903 414141030 /nfs/dbraw/zinc/14/10/30/414141030.db2.gz OCQDZTFUAUHYMW-GXTWGEPZSA-N 2 2 265.357 0.751 20 0 CCADLP COCCO[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000660372673 414269953 /nfs/dbraw/zinc/26/99/53/414269953.db2.gz OCUOKIGOTJYCSE-KBPBESRZSA-N 2 2 274.405 0.425 20 0 CCADLP COCCO[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000660372673 414269980 /nfs/dbraw/zinc/26/99/80/414269980.db2.gz OCUOKIGOTJYCSE-KBPBESRZSA-N 2 2 274.405 0.425 20 0 CCADLP COCCO[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000660372673 414269992 /nfs/dbraw/zinc/26/99/92/414269992.db2.gz OCUOKIGOTJYCSE-KBPBESRZSA-N 2 2 274.405 0.425 20 0 CCADLP COCCO[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000660372673 414270002 /nfs/dbraw/zinc/27/00/02/414270002.db2.gz OCUOKIGOTJYCSE-KBPBESRZSA-N 2 2 274.405 0.425 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCc2cc[nH]c(=O)c2C1 ZINC000660410795 414298085 /nfs/dbraw/zinc/29/80/85/414298085.db2.gz IJSICVPPWCCLIS-CYBMUJFWSA-N 2 2 279.384 0.846 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCc2cc[nH]c(=O)c2C1 ZINC000660410795 414298090 /nfs/dbraw/zinc/29/80/90/414298090.db2.gz IJSICVPPWCCLIS-CYBMUJFWSA-N 2 2 279.384 0.846 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000660410795 414298094 /nfs/dbraw/zinc/29/80/94/414298094.db2.gz IJSICVPPWCCLIS-CYBMUJFWSA-N 2 2 279.384 0.846 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000660410795 414298099 /nfs/dbraw/zinc/29/80/99/414298099.db2.gz IJSICVPPWCCLIS-CYBMUJFWSA-N 2 2 279.384 0.846 20 0 CCADLP COC[C@@H](C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)OC ZINC000660419731 414304752 /nfs/dbraw/zinc/30/47/52/414304752.db2.gz LBYGCCCBUKSDRH-LLVKDONJSA-N 2 2 254.334 0.193 20 0 CCADLP CN1CC(=O)N(CC[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000660661782 414433934 /nfs/dbraw/zinc/43/39/34/414433934.db2.gz GLZOFDVMSAUFAU-OAHLLOKOSA-N 2 2 294.399 0.298 20 0 CCADLP CN1CC(=O)N(CC[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000660661782 414433936 /nfs/dbraw/zinc/43/39/36/414433936.db2.gz GLZOFDVMSAUFAU-OAHLLOKOSA-N 2 2 294.399 0.298 20 0 CCADLP CN1CC(=O)N(CC[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)C1=O ZINC000660661782 414433938 /nfs/dbraw/zinc/43/39/38/414433938.db2.gz GLZOFDVMSAUFAU-OAHLLOKOSA-N 2 2 294.399 0.298 20 0 CCADLP CN1CC(=O)N(CC[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000660661782 414433940 /nfs/dbraw/zinc/43/39/40/414433940.db2.gz GLZOFDVMSAUFAU-OAHLLOKOSA-N 2 2 294.399 0.298 20 0 CCADLP CC(=O)NCCC[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660696050 414446134 /nfs/dbraw/zinc/44/61/34/414446134.db2.gz XOKUQJYXNVNLTE-UHFFFAOYSA-N 2 2 285.432 0.585 20 0 CCADLP COCC[N@@H+]1CCN(Cc2cn(C)c[nH+]2)C(C)(C)C1 ZINC000660917542 414528741 /nfs/dbraw/zinc/52/87/41/414528741.db2.gz VKCXHEVTSAJFMY-UHFFFAOYSA-N 2 2 266.389 0.963 20 0 CCADLP COCC[N@H+]1CCN(Cc2cn(C)c[nH+]2)C(C)(C)C1 ZINC000660917542 414528744 /nfs/dbraw/zinc/52/87/44/414528744.db2.gz VKCXHEVTSAJFMY-UHFFFAOYSA-N 2 2 266.389 0.963 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+](C)[C@H](CO)Cc1ccccc1)C1CC1 ZINC000661090804 414554548 /nfs/dbraw/zinc/55/45/48/414554548.db2.gz DEYXIWWYEPMQEG-DLBZAZTESA-N 2 2 292.423 0.977 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+](C)[C@H](CO)Cc1ccccc1)C1CC1 ZINC000661090804 414554553 /nfs/dbraw/zinc/55/45/53/414554553.db2.gz DEYXIWWYEPMQEG-DLBZAZTESA-N 2 2 292.423 0.977 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@H](CO)Cc1ccccc1 ZINC000661090804 414554558 /nfs/dbraw/zinc/55/45/58/414554558.db2.gz DEYXIWWYEPMQEG-DLBZAZTESA-N 2 2 292.423 0.977 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@H](CO)Cc1ccccc1 ZINC000661090804 414554562 /nfs/dbraw/zinc/55/45/62/414554562.db2.gz DEYXIWWYEPMQEG-DLBZAZTESA-N 2 2 292.423 0.977 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCO[C@](C)(C2CC2)C1)C1CC1 ZINC000661173532 414573640 /nfs/dbraw/zinc/57/36/40/414573640.db2.gz ZCLUXZJNSPLDOI-GJZGRUSLSA-N 2 2 268.401 0.942 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCO[C@](C)(C2CC2)C1)C1CC1 ZINC000661173532 414573644 /nfs/dbraw/zinc/57/36/44/414573644.db2.gz ZCLUXZJNSPLDOI-GJZGRUSLSA-N 2 2 268.401 0.942 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCO[C@](C)(C2CC2)C1)C1CC1 ZINC000661173532 414573647 /nfs/dbraw/zinc/57/36/47/414573647.db2.gz ZCLUXZJNSPLDOI-GJZGRUSLSA-N 2 2 268.401 0.942 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCO[C@](C)(C2CC2)C1)C1CC1 ZINC000661173532 414573651 /nfs/dbraw/zinc/57/36/51/414573651.db2.gz ZCLUXZJNSPLDOI-GJZGRUSLSA-N 2 2 268.401 0.942 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC2(CCC2)OC[C@H]1C ZINC000661464191 414629522 /nfs/dbraw/zinc/62/95/22/414629522.db2.gz ZQRLERVUEDZMOP-KGLIPLIRSA-N 2 2 286.416 0.569 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC2(CCC2)OC[C@H]1C ZINC000661464191 414629527 /nfs/dbraw/zinc/62/95/27/414629527.db2.gz ZQRLERVUEDZMOP-KGLIPLIRSA-N 2 2 286.416 0.569 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC2(CCC2)OC[C@H]1C ZINC000661464191 414629530 /nfs/dbraw/zinc/62/95/30/414629530.db2.gz ZQRLERVUEDZMOP-KGLIPLIRSA-N 2 2 286.416 0.569 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC2(CCC2)OC[C@H]1C ZINC000661464191 414629533 /nfs/dbraw/zinc/62/95/33/414629533.db2.gz ZQRLERVUEDZMOP-KGLIPLIRSA-N 2 2 286.416 0.569 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000661595715 414645713 /nfs/dbraw/zinc/64/57/13/414645713.db2.gz DQJQJGWYVCQCQU-AAEUAGOBSA-N 2 2 262.357 0.563 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000661595715 414645716 /nfs/dbraw/zinc/64/57/16/414645716.db2.gz DQJQJGWYVCQCQU-AAEUAGOBSA-N 2 2 262.357 0.563 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000661595717 414646128 /nfs/dbraw/zinc/64/61/28/414646128.db2.gz DQJQJGWYVCQCQU-WCQYABFASA-N 2 2 262.357 0.563 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000661595717 414646129 /nfs/dbraw/zinc/64/61/29/414646129.db2.gz DQJQJGWYVCQCQU-WCQYABFASA-N 2 2 262.357 0.563 20 0 CCADLP Cc1c[nH+]ccc1CC[NH2+]C1(C(N)=O)CCOCC1 ZINC000661594798 414646404 /nfs/dbraw/zinc/64/64/04/414646404.db2.gz CCKHMQAPBQGZBJ-UHFFFAOYSA-N 2 2 263.341 0.557 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2C[C@@H](C)C(O)[C@H](C)C2)CC1 ZINC000661623764 414655921 /nfs/dbraw/zinc/65/59/21/414655921.db2.gz NWPYXRMQIWSWQE-MCIONIFRSA-N 2 2 297.443 0.488 20 0 CCADLP C[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000040430960 174259804 /nfs/dbraw/zinc/25/98/04/174259804.db2.gz KLENBIRQOFXKFZ-LLVKDONJSA-N 2 2 263.341 0.805 20 0 CCADLP Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662262312 414702174 /nfs/dbraw/zinc/70/21/74/414702174.db2.gz FIKRGTPLRQAUFZ-JSGCOSHPSA-N 2 2 264.373 0.854 20 0 CCADLP Cc1nn(C)cc1[C@@H]1CCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662262312 414702175 /nfs/dbraw/zinc/70/21/75/414702175.db2.gz FIKRGTPLRQAUFZ-JSGCOSHPSA-N 2 2 264.373 0.854 20 0 CCADLP CCc1nocc1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000662263986 414702330 /nfs/dbraw/zinc/70/23/30/414702330.db2.gz AMGOESPGBPCFOF-CYBMUJFWSA-N 2 2 292.383 0.633 20 0 CCADLP CCc1nocc1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000662263986 414702331 /nfs/dbraw/zinc/70/23/31/414702331.db2.gz AMGOESPGBPCFOF-CYBMUJFWSA-N 2 2 292.383 0.633 20 0 CCADLP Cc1nsc(N2CCC[N@H+](C[C@@H]3C[NH2+]CCO3)CC2)n1 ZINC000662263383 414702453 /nfs/dbraw/zinc/70/24/53/414702453.db2.gz MERKAWWDXDMEGU-LBPRGKRZSA-N 2 2 297.428 0.347 20 0 CCADLP Cc1nsc(N2CCC[N@@H+](C[C@@H]3C[NH2+]CCO3)CC2)n1 ZINC000662263383 414702454 /nfs/dbraw/zinc/70/24/54/414702454.db2.gz MERKAWWDXDMEGU-LBPRGKRZSA-N 2 2 297.428 0.347 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000662265992 414703150 /nfs/dbraw/zinc/70/31/50/414703150.db2.gz VFQBVPWMQCVMLT-RDBSUJKOSA-N 3 2 253.390 0.439 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000662265992 414703151 /nfs/dbraw/zinc/70/31/51/414703151.db2.gz VFQBVPWMQCVMLT-RDBSUJKOSA-N 3 2 253.390 0.439 20 0 CCADLP Cc1nocc1C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000662266192 414703379 /nfs/dbraw/zinc/70/33/79/414703379.db2.gz KJIDPTDBKODBAE-ZDUSSCGKSA-N 2 2 278.356 0.379 20 0 CCADLP Cc1nocc1C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000662266192 414703380 /nfs/dbraw/zinc/70/33/80/414703380.db2.gz KJIDPTDBKODBAE-ZDUSSCGKSA-N 2 2 278.356 0.379 20 0 CCADLP C[N@H+](CC(=O)N1CCOCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746936 174391922 /nfs/dbraw/zinc/39/19/22/174391922.db2.gz MHXZKGXNVJVUAE-FUNVUKJBSA-N 2 2 267.373 0.060 20 0 CCADLP C[N@@H+](CC(=O)N1CCOCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746936 174391923 /nfs/dbraw/zinc/39/19/23/174391923.db2.gz MHXZKGXNVJVUAE-FUNVUKJBSA-N 2 2 267.373 0.060 20 0 CCADLP CN(C)c1noc(C[NH+]2CCC(CC[NH3+])CC2)n1 ZINC000662282525 414705837 /nfs/dbraw/zinc/70/58/37/414705837.db2.gz BEBMNPYCPHHQJC-UHFFFAOYSA-N 2 2 253.350 0.696 20 0 CCADLP COCC[NH2+]C1CC[NH+]([C@H]2CCCN(C)C2=O)CC1 ZINC000662283599 414705973 /nfs/dbraw/zinc/70/59/73/414705973.db2.gz BEWABEDSSFRZPR-ZDUSSCGKSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)CC(=O)N1 ZINC000662284573 414706059 /nfs/dbraw/zinc/70/60/59/414706059.db2.gz NNCYFYOADSLNJH-NSHDSACASA-N 2 2 259.353 0.653 20 0 CCADLP C[C@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CC(=O)N1 ZINC000662284573 414706060 /nfs/dbraw/zinc/70/60/60/414706060.db2.gz NNCYFYOADSLNJH-NSHDSACASA-N 2 2 259.353 0.653 20 0 CCADLP CNC(=O)c1cccc(C[NH2+]C2(CO)CC[NH2+]CC2)c1 ZINC000662287028 414706811 /nfs/dbraw/zinc/70/68/11/414706811.db2.gz QDMGRGCLKBQYQQ-UHFFFAOYSA-N 2 2 277.368 0.250 20 0 CCADLP Cc1ccc(C[N@H+](CC[NH3+])C[C@@H](O)CO)c(C)c1 ZINC000662288323 414706970 /nfs/dbraw/zinc/70/69/70/414706970.db2.gz OTLPEFRNZSVVPR-CQSZACIVSA-N 2 2 252.358 0.417 20 0 CCADLP Cc1ccc(C[N@@H+](CC[NH3+])C[C@@H](O)CO)c(C)c1 ZINC000662288323 414706971 /nfs/dbraw/zinc/70/69/71/414706971.db2.gz OTLPEFRNZSVVPR-CQSZACIVSA-N 2 2 252.358 0.417 20 0 CCADLP Cc1ccc(C[N@H+](CC[NH3+])C[C@@H](O)CO)cc1C ZINC000662287820 414707151 /nfs/dbraw/zinc/70/71/51/414707151.db2.gz KFUMRAOBSMYLKR-CQSZACIVSA-N 2 2 252.358 0.417 20 0 CCADLP Cc1ccc(C[N@@H+](CC[NH3+])C[C@@H](O)CO)cc1C ZINC000662287820 414707152 /nfs/dbraw/zinc/70/71/52/414707152.db2.gz KFUMRAOBSMYLKR-CQSZACIVSA-N 2 2 252.358 0.417 20 0 CCADLP C(C[N@H+](CC1CC1)C[C@@H]1C[NH2+]CCO1)N1CCOCC1 ZINC000662315407 414709076 /nfs/dbraw/zinc/70/90/76/414709076.db2.gz OHLUQOCFPOMSEK-HNNXBMFYSA-N 2 2 283.416 0.019 20 0 CCADLP C(C[N@@H+](CC1CC1)C[C@@H]1C[NH2+]CCO1)N1CCOCC1 ZINC000662315407 414709077 /nfs/dbraw/zinc/70/90/77/414709077.db2.gz OHLUQOCFPOMSEK-HNNXBMFYSA-N 2 2 283.416 0.019 20 0 CCADLP CCCNC(=O)[C@@H](C)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321195 414709556 /nfs/dbraw/zinc/70/95/56/414709556.db2.gz ZEKUKKKZGWMXNR-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP CCCNC(=O)[C@@H](C)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321195 414709557 /nfs/dbraw/zinc/70/95/57/414709557.db2.gz ZEKUKKKZGWMXNR-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP Cn1nccc1C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662325283 414710106 /nfs/dbraw/zinc/71/01/06/414710106.db2.gz KVMQWRSOVRUJLY-AWEZNQCLSA-N 2 2 266.389 0.963 20 0 CCADLP Cn1nccc1C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662325283 414710107 /nfs/dbraw/zinc/71/01/07/414710107.db2.gz KVMQWRSOVRUJLY-AWEZNQCLSA-N 2 2 266.389 0.963 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000661856158 414681048 /nfs/dbraw/zinc/68/10/48/414681048.db2.gz FDFJCWUSJYFIGK-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000661856158 414681050 /nfs/dbraw/zinc/68/10/50/414681050.db2.gz FDFJCWUSJYFIGK-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP Cc1noc(CCC[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)n1 ZINC000662150448 414693826 /nfs/dbraw/zinc/69/38/26/414693826.db2.gz WBIJUVIECHYPDM-CQSZACIVSA-N 2 2 294.399 0.842 20 0 CCADLP Cc1noc(CCC[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)n1 ZINC000662150448 414693827 /nfs/dbraw/zinc/69/38/27/414693827.db2.gz WBIJUVIECHYPDM-CQSZACIVSA-N 2 2 294.399 0.842 20 0 CCADLP CCC[N@H+](C)CC(C)(C)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000662173510 414695844 /nfs/dbraw/zinc/69/58/44/414695844.db2.gz JKLMCUUFPRVSRI-CQSZACIVSA-N 2 2 287.448 0.390 20 0 CCADLP CCC[N@@H+](C)CC(C)(C)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000662173510 414695845 /nfs/dbraw/zinc/69/58/45/414695845.db2.gz JKLMCUUFPRVSRI-CQSZACIVSA-N 2 2 287.448 0.390 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000662246796 414699146 /nfs/dbraw/zinc/69/91/46/414699146.db2.gz CTEJHWFZAAIBTR-WBMJQRKESA-N 3 2 275.396 0.880 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000662246796 414699147 /nfs/dbraw/zinc/69/91/47/414699147.db2.gz CTEJHWFZAAIBTR-WBMJQRKESA-N 3 2 275.396 0.880 20 0 CCADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1coc(S(N)(=O)=O)c1 ZINC000662247998 414699527 /nfs/dbraw/zinc/69/95/27/414699527.db2.gz QMHXLNMOMFBMSA-NSHDSACASA-N 2 2 275.374 0.390 20 0 CCADLP O=C1CCCN1[C@@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662256533 414700870 /nfs/dbraw/zinc/70/08/70/414700870.db2.gz JBBMJJIKDVHUSO-CHWSQXEVSA-N 2 2 267.373 0.062 20 0 CCADLP O=C1CCCN1[C@@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662256533 414700871 /nfs/dbraw/zinc/70/08/71/414700871.db2.gz JBBMJJIKDVHUSO-CHWSQXEVSA-N 2 2 267.373 0.062 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)[C@H]2C[NH2+]CCO2)CC1(C)C ZINC000662757381 414767307 /nfs/dbraw/zinc/76/73/07/414767307.db2.gz LPRWARBTAAAOKE-MNOVXSKESA-N 2 2 278.356 0.318 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000662385009 414713483 /nfs/dbraw/zinc/71/34/83/414713483.db2.gz FNRGJOYHLKWTQV-LLVKDONJSA-N 2 2 250.346 0.762 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662444418 414719168 /nfs/dbraw/zinc/71/91/68/414719168.db2.gz GULRZVWCUCUAGP-LBPRGKRZSA-N 2 2 289.379 0.740 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662444418 414719169 /nfs/dbraw/zinc/71/91/69/414719169.db2.gz GULRZVWCUCUAGP-LBPRGKRZSA-N 2 2 289.379 0.740 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662589683 414731055 /nfs/dbraw/zinc/73/10/55/414731055.db2.gz JAJJVOSGQQSCCA-CABCVRRESA-N 3 2 296.459 0.504 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000662624038 414734284 /nfs/dbraw/zinc/73/42/84/414734284.db2.gz QSTRQFUPYGNNKD-CYBMUJFWSA-N 2 2 292.383 0.662 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662630192 414734908 /nfs/dbraw/zinc/73/49/08/414734908.db2.gz JVKFYTHFRZGSLO-SCRDCRAPSA-N 2 2 271.405 0.729 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662630192 414734909 /nfs/dbraw/zinc/73/49/09/414734909.db2.gz JVKFYTHFRZGSLO-SCRDCRAPSA-N 2 2 271.405 0.729 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@]2(C)CC[NH2+]C2)[C@@H](C)CO1 ZINC000662630608 414735006 /nfs/dbraw/zinc/73/50/06/414735006.db2.gz LWUQENBZBKBOJS-SCRDCRAPSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@]2(C)CC[NH2+]C2)[C@@H](C)CO1 ZINC000662630608 414735007 /nfs/dbraw/zinc/73/50/07/414735007.db2.gz LWUQENBZBKBOJS-SCRDCRAPSA-N 2 2 269.389 0.211 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000662630187 414735078 /nfs/dbraw/zinc/73/50/78/414735078.db2.gz JVKFYTHFRZGSLO-DYEKYZERSA-N 2 2 271.405 0.729 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000662630187 414735079 /nfs/dbraw/zinc/73/50/79/414735079.db2.gz JVKFYTHFRZGSLO-DYEKYZERSA-N 2 2 271.405 0.729 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000662632684 414735544 /nfs/dbraw/zinc/73/55/44/414735544.db2.gz SUDTUWTVGZFTDQ-KBPBESRZSA-N 3 2 284.448 0.374 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000662632684 414735545 /nfs/dbraw/zinc/73/55/45/414735545.db2.gz SUDTUWTVGZFTDQ-KBPBESRZSA-N 3 2 284.448 0.374 20 0 CCADLP O=C([C@@H]1CC12CC[NH2+]CC2)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662657340 414737829 /nfs/dbraw/zinc/73/78/29/414737829.db2.gz ZUGLMLYBFBEDHN-KBPBESRZSA-N 2 2 293.411 0.309 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC[C@]1(C)CC1(F)F ZINC000662665568 414738766 /nfs/dbraw/zinc/73/87/66/414738766.db2.gz KAOGBPHGDIUYHV-GXSJLCMTSA-N 2 2 263.332 0.817 20 0 CCADLP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000662664129 414738833 /nfs/dbraw/zinc/73/88/33/414738833.db2.gz OMZNIBZACXSUBL-NEPJUHHUSA-N 2 2 274.324 0.314 20 0 CCADLP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000662664130 414738837 /nfs/dbraw/zinc/73/88/37/414738837.db2.gz OMZNIBZACXSUBL-NWDGAFQWSA-N 2 2 274.324 0.314 20 0 CCADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@H]2C[C@H]([NH3+])C2)no1 ZINC000662692039 414741673 /nfs/dbraw/zinc/74/16/73/414741673.db2.gz MLEWEJSBWJYKHO-KYZUINATSA-N 2 2 281.360 0.220 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1[NH2+]CCC1(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662833544 414825070 /nfs/dbraw/zinc/82/50/70/414825070.db2.gz PGSZWOZHTIIKHL-IGQOVBAYSA-N 2 2 297.443 0.988 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1[NH2+]CCC1(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662833544 414825074 /nfs/dbraw/zinc/82/50/74/414825074.db2.gz PGSZWOZHTIIKHL-IGQOVBAYSA-N 2 2 297.443 0.988 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662858672 414848776 /nfs/dbraw/zinc/84/87/76/414848776.db2.gz HIWZMAMHGVNLEU-OLZOCXBDSA-N 2 2 295.427 0.873 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662858672 414848782 /nfs/dbraw/zinc/84/87/82/414848782.db2.gz HIWZMAMHGVNLEU-OLZOCXBDSA-N 2 2 295.427 0.873 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000662857235 414849448 /nfs/dbraw/zinc/84/94/48/414849448.db2.gz IPBBDFBLKQKJRI-AWEZNQCLSA-N 3 2 270.421 0.128 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000662857235 414849456 /nfs/dbraw/zinc/84/94/56/414849456.db2.gz IPBBDFBLKQKJRI-AWEZNQCLSA-N 3 2 270.421 0.128 20 0 CCADLP O=C([C@H]1CCCC[NH2+]1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662870284 414854742 /nfs/dbraw/zinc/85/47/42/414854742.db2.gz CEWQQMXARHJMFJ-CHWSQXEVSA-N 2 2 267.373 0.062 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662952668 414914154 /nfs/dbraw/zinc/91/41/54/414914154.db2.gz WYUJMNFZLHFQLV-JQWIXIFHSA-N 2 2 293.371 0.096 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000662952668 414914158 /nfs/dbraw/zinc/91/41/58/414914158.db2.gz WYUJMNFZLHFQLV-JQWIXIFHSA-N 2 2 293.371 0.096 20 0 CCADLP C[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])[NH+]1CCN(C)CC1 ZINC000662896942 414877579 /nfs/dbraw/zinc/87/75/79/414877579.db2.gz RAYABNZSIFNFCF-MCIONIFRSA-N 2 2 282.432 0.208 20 0 CCADLP CN(C(=O)CC(C)(C)[NH3+])[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899719 414879701 /nfs/dbraw/zinc/87/97/01/414879701.db2.gz FQNWRKDAYOVCRI-AWEZNQCLSA-N 3 2 296.459 0.741 20 0 CCADLP CN(C(=O)CC(C)(C)[NH3+])[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899719 414879705 /nfs/dbraw/zinc/87/97/05/414879705.db2.gz FQNWRKDAYOVCRI-AWEZNQCLSA-N 3 2 296.459 0.741 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000662901184 414881185 /nfs/dbraw/zinc/88/11/85/414881185.db2.gz FICQHHWTAKXVAM-MJVIPROJSA-N 2 2 278.356 0.316 20 0 CCADLP CCNC(=O)C[NH+]1CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000663382135 415055656 /nfs/dbraw/zinc/05/56/56/415055656.db2.gz ZIVLFXUGDILQRB-UHFFFAOYSA-N 2 2 287.367 0.821 20 0 CCADLP Cc1cc(CO)cc(N2CC[N@H+](CCO)[C@@H](C)C2)[nH+]1 ZINC000663823317 415143181 /nfs/dbraw/zinc/14/31/81/415143181.db2.gz PIRRQGWHNNKLNU-LBPRGKRZSA-N 2 2 265.357 0.385 20 0 CCADLP Cc1cc(CO)cc(N2CC[N@@H+](CCO)[C@@H](C)C2)[nH+]1 ZINC000663823317 415143186 /nfs/dbraw/zinc/14/31/86/415143186.db2.gz PIRRQGWHNNKLNU-LBPRGKRZSA-N 2 2 265.357 0.385 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000044529302 175194315 /nfs/dbraw/zinc/19/43/15/175194315.db2.gz XTEBSEZSOQPURB-JTQLQIEISA-N 2 2 278.381 0.927 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000044529302 175194317 /nfs/dbraw/zinc/19/43/17/175194317.db2.gz XTEBSEZSOQPURB-JTQLQIEISA-N 2 2 278.381 0.927 20 0 CCADLP Cc1nc(C[N@H+](C)CCN2CC[NH2+]CC2)cs1 ZINC000044609249 175216452 /nfs/dbraw/zinc/21/64/52/175216452.db2.gz QSRFWMILINVJRI-UHFFFAOYSA-N 2 2 254.403 0.789 20 0 CCADLP Cc1nc(C[N@@H+](C)CCN2CC[NH2+]CC2)cs1 ZINC000044609249 175216454 /nfs/dbraw/zinc/21/64/54/175216454.db2.gz QSRFWMILINVJRI-UHFFFAOYSA-N 2 2 254.403 0.789 20 0 CCADLP C[C@H](CCNC(=O)NCC[N@@H+]1CCOC[C@@H]1C)[NH+](C)C ZINC000663989579 415197665 /nfs/dbraw/zinc/19/76/65/415197665.db2.gz AFWLNSPSDILPFI-OLZOCXBDSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@H](CCNC(=O)NCC[N@H+]1CCOC[C@@H]1C)[NH+](C)C ZINC000663989579 415197670 /nfs/dbraw/zinc/19/76/70/415197670.db2.gz AFWLNSPSDILPFI-OLZOCXBDSA-N 2 2 286.420 0.347 20 0 CCADLP Cc1cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)no1 ZINC000664333019 415348358 /nfs/dbraw/zinc/34/83/58/415348358.db2.gz GTVCTMODULWEQX-UHFFFAOYSA-N 2 2 283.376 0.988 20 0 CCADLP Cc1cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)no1 ZINC000664333019 415348363 /nfs/dbraw/zinc/34/83/63/415348363.db2.gz GTVCTMODULWEQX-UHFFFAOYSA-N 2 2 283.376 0.988 20 0 CCADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)Cc1c[nH+]cn1C ZINC000575143047 335072392 /nfs/dbraw/zinc/07/23/92/335072392.db2.gz PGDJSBXFNODLMI-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Cc1c[nH+]cn1C ZINC000575143047 335072393 /nfs/dbraw/zinc/07/23/93/335072393.db2.gz PGDJSBXFNODLMI-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP CCn1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])nn1 ZINC000665245977 415575421 /nfs/dbraw/zinc/57/54/21/415575421.db2.gz WBSQHQOBPGVCCV-MVWJERBFSA-N 2 2 253.350 0.140 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000665224126 415567722 /nfs/dbraw/zinc/56/77/22/415567722.db2.gz GWZKIXIZQDEYNS-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000665224126 415567733 /nfs/dbraw/zinc/56/77/33/415567733.db2.gz GWZKIXIZQDEYNS-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]([NH2+][C@@H]1Cc2ccccc2N(C)C1=O)C1C[NH2+]C1 ZINC000665236907 415572487 /nfs/dbraw/zinc/57/24/87/415572487.db2.gz WDQJCUZVZNCDHN-ZWNOBZJWSA-N 2 2 259.353 0.772 20 0 CCADLP Cc1cncc(CC[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)n1 ZINC000665274738 415584429 /nfs/dbraw/zinc/58/44/29/415584429.db2.gz XGMJUOMEHCHAJS-RISCZKNCSA-N 2 2 264.373 0.684 20 0 CCADLP C([NH2+][C@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C12CC(C1)C[NH2+]2 ZINC000665280355 415586135 /nfs/dbraw/zinc/58/61/35/415586135.db2.gz ZLXKOXVAGUSXLF-CQKDUHAVSA-N 3 2 265.401 0.485 20 0 CCADLP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(S(N)(=O)=O)cc1 ZINC000665277869 415586578 /nfs/dbraw/zinc/58/65/78/415586578.db2.gz NUXPGFSHMBSVAZ-CDWSIMAYSA-N 2 2 295.408 0.737 20 0 CCADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000665294570 415589569 /nfs/dbraw/zinc/58/95/69/415589569.db2.gz RDOPSMGHNVYHEA-WDEREUQCSA-N 3 2 265.361 0.391 20 0 CCADLP C[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1c[nH+]ccc1N ZINC000665299934 415594044 /nfs/dbraw/zinc/59/40/44/415594044.db2.gz VNNWLDZGFRBOKG-DTWKUNHWSA-N 2 2 257.359 0.578 20 0 CCADLP C[C@@H](CCc1ccco1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000042314268 544428752 /nfs/dbraw/zinc/42/87/52/544428752.db2.gz XYNQHTNHOGPTEK-ZDUSSCGKSA-N 2 2 279.384 0.964 20 0 CCADLP CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCOC1 ZINC000093159432 544537494 /nfs/dbraw/zinc/53/74/94/544537494.db2.gz BIWWYUGLFRWEMB-CYBMUJFWSA-N 2 2 269.389 0.119 20 0 CCADLP CC[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCOC1 ZINC000093159432 544537498 /nfs/dbraw/zinc/53/74/98/544537498.db2.gz BIWWYUGLFRWEMB-CYBMUJFWSA-N 2 2 269.389 0.119 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111245167 544562074 /nfs/dbraw/zinc/56/20/74/544562074.db2.gz VJKWDUNJNIJOIF-LLVKDONJSA-N 2 2 290.289 0.921 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNc1nc(N)[nH+]c2c1CCCC2 ZINC000624621626 419424285 /nfs/dbraw/zinc/42/42/85/419424285.db2.gz FODNUSSKIKLMDM-JTQLQIEISA-N 2 2 277.372 0.102 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNc1nc(N)[nH+]c2c1CCCC2 ZINC000624621626 419424296 /nfs/dbraw/zinc/42/42/96/419424296.db2.gz FODNUSSKIKLMDM-JTQLQIEISA-N 2 2 277.372 0.102 20 0 CCADLP CC[C@H](C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000123970328 544584902 /nfs/dbraw/zinc/58/49/02/544584902.db2.gz ZWGWQYJQRZTUJE-UTUOFQBUSA-N 2 2 257.378 0.162 20 0 CCADLP CC[C@H](C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000123970328 544584906 /nfs/dbraw/zinc/58/49/06/544584906.db2.gz ZWGWQYJQRZTUJE-UTUOFQBUSA-N 2 2 257.378 0.162 20 0 CCADLP O=C(Cc1cn2ccccc2[nH+]1)NCC[NH2+]C1CC1 ZINC000151489206 544650898 /nfs/dbraw/zinc/65/08/98/544650898.db2.gz QYCLATNQDOEZSI-UHFFFAOYSA-N 2 2 258.325 0.745 20 0 CCADLP [NH3+]Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)o1 ZINC000165682480 544723960 /nfs/dbraw/zinc/72/39/60/544723960.db2.gz BRJDEAOJQFZICU-GFCCVEGCSA-N 2 2 293.367 0.675 20 0 CCADLP Cc1nc(N[C@@H](C)CN2CC[NH+](C)CC2)nc(N(C)C)[nH+]1 ZINC000488385648 420306127 /nfs/dbraw/zinc/30/61/27/420306127.db2.gz CXHDBWAUETYIIE-NSHDSACASA-N 2 2 293.419 0.294 20 0 CCADLP Cc1cc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)nn1C ZINC000257717124 544935549 /nfs/dbraw/zinc/93/55/49/544935549.db2.gz PECNWRONQPMIEZ-AWEZNQCLSA-N 2 2 263.389 0.208 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)NCc1c[nH+]cn1C ZINC000290680853 544970176 /nfs/dbraw/zinc/97/01/76/544970176.db2.gz LKBQMJZDLUIZDU-UHFFFAOYSA-N 2 2 276.344 0.815 20 0 CCADLP [NH3+][C@@H]1CCC[C@H](NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000333624721 545040882 /nfs/dbraw/zinc/04/08/82/545040882.db2.gz FRRCKIHVBFGUBO-RQJABVFESA-N 2 2 296.415 0.419 20 0 CCADLP [NH3+][C@@H]1CCC[C@H](NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000333624721 545040884 /nfs/dbraw/zinc/04/08/84/545040884.db2.gz FRRCKIHVBFGUBO-RQJABVFESA-N 2 2 296.415 0.419 20 0 CCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ncccc1F ZINC000528823966 269851905 /nfs/dbraw/zinc/85/19/05/269851905.db2.gz KBTBJYPCZPWCCJ-NSHDSACASA-N 2 2 280.347 0.645 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCN1CC[NH+](C2CC2)CC1 ZINC000192973702 262212968 /nfs/dbraw/zinc/21/29/68/262212968.db2.gz DOTRQEXRYFOWKI-CYBMUJFWSA-N 2 2 253.390 0.487 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCN1CC[NH+](C2CC2)CC1 ZINC000192973702 262212969 /nfs/dbraw/zinc/21/29/69/262212969.db2.gz DOTRQEXRYFOWKI-CYBMUJFWSA-N 2 2 253.390 0.487 20 0 CCADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C(=O)N1CCCC[C@@H]1C ZINC000521427001 262328846 /nfs/dbraw/zinc/32/88/46/262328846.db2.gz XCRLSVLESBHMIK-KCQAQPDRSA-N 2 2 297.443 0.821 20 0 CCADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C(=O)N1CCCC[C@@H]1C ZINC000521427001 262328848 /nfs/dbraw/zinc/32/88/48/262328848.db2.gz XCRLSVLESBHMIK-KCQAQPDRSA-N 2 2 297.443 0.821 20 0 CCADLP C[C@H](CC[S@](C)=O)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000127969854 274478493 /nfs/dbraw/zinc/47/84/93/274478493.db2.gz OZLBNMHUGLZAJL-MLCYQJTMSA-N 2 2 272.418 0.733 20 0 CCADLP CC(C)C[NH+]1CCN(C(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000037821669 275890144 /nfs/dbraw/zinc/89/01/44/275890144.db2.gz NRCUZTXCQSIXPA-NSHDSACASA-N 2 2 257.403 0.449 20 0 CCADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000366111126 276324374 /nfs/dbraw/zinc/32/43/74/276324374.db2.gz XLPIBGLYOBWEKH-CQSZACIVSA-N 2 2 282.388 0.392 20 0 CCADLP CC[NH+](CC)CCC[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000366111126 276324377 /nfs/dbraw/zinc/32/43/77/276324377.db2.gz XLPIBGLYOBWEKH-CQSZACIVSA-N 2 2 282.388 0.392 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000072823393 276334365 /nfs/dbraw/zinc/33/43/65/276334365.db2.gz SKVXXJLWNLPUEM-WDEREUQCSA-N 2 2 270.377 0.234 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000072823393 276334367 /nfs/dbraw/zinc/33/43/67/276334367.db2.gz SKVXXJLWNLPUEM-WDEREUQCSA-N 2 2 270.377 0.234 20 0 CCADLP CC[N@@H+]1CC[C@@H]2OCCN(CC[NH+]3CCOC[C@H]3C)[C@@H]2C1 ZINC000339377279 276396884 /nfs/dbraw/zinc/39/68/84/276396884.db2.gz AFZQMPNASNITDN-OAGGEKHMSA-N 2 2 297.443 0.502 20 0 CCADLP CC[N@H+]1CC[C@@H]2OCCN(CC[NH+]3CCOC[C@H]3C)[C@@H]2C1 ZINC000339377279 276396885 /nfs/dbraw/zinc/39/68/85/276396885.db2.gz AFZQMPNASNITDN-OAGGEKHMSA-N 2 2 297.443 0.502 20 0 CCADLP CC[NH+]1CC[C@@H]2OCCN(CC[N@@H+]3CCOC[C@H]3C)[C@@H]2C1 ZINC000339377279 276396886 /nfs/dbraw/zinc/39/68/86/276396886.db2.gz AFZQMPNASNITDN-OAGGEKHMSA-N 2 2 297.443 0.502 20 0 CCADLP CC[NH+]1CC[C@@H]2OCCN(CC[N@H+]3CCOC[C@H]3C)[C@@H]2C1 ZINC000339377279 276396887 /nfs/dbraw/zinc/39/68/87/276396887.db2.gz AFZQMPNASNITDN-OAGGEKHMSA-N 2 2 297.443 0.502 20 0 CCADLP C[NH2+]CCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000422733533 277022747 /nfs/dbraw/zinc/02/27/47/277022747.db2.gz RBOBLCVRMAODJJ-CYBMUJFWSA-N 2 2 269.389 0.356 20 0 CCADLP C[NH2+]CCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000422733533 277022750 /nfs/dbraw/zinc/02/27/50/277022750.db2.gz RBOBLCVRMAODJJ-CYBMUJFWSA-N 2 2 269.389 0.356 20 0 CCADLP C[NH+]1CCc2ncnc(N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)c2C1 ZINC000272147029 277189933 /nfs/dbraw/zinc/18/99/33/277189933.db2.gz CNODMUSSEKBWCP-SWLSCSKDSA-N 2 2 287.411 0.995 20 0 CCADLP C[NH+]1CCc2ncnc(N3CC[C@@H]4CC[N@H+](C)C[C@H]43)c2C1 ZINC000272147029 277189934 /nfs/dbraw/zinc/18/99/34/277189934.db2.gz CNODMUSSEKBWCP-SWLSCSKDSA-N 2 2 287.411 0.995 20 0 CCADLP C[NH+]1CC[C@H]2CCN(c3ncnc4c3C[N@H+](C)CC4)[C@@H]2C1 ZINC000272147029 277189935 /nfs/dbraw/zinc/18/99/35/277189935.db2.gz CNODMUSSEKBWCP-SWLSCSKDSA-N 2 2 287.411 0.995 20 0 CCADLP C[NH+]1CC[C@H]2CCN(c3ncnc4c3C[N@@H+](C)CC4)[C@@H]2C1 ZINC000272147029 277189936 /nfs/dbraw/zinc/18/99/36/277189936.db2.gz CNODMUSSEKBWCP-SWLSCSKDSA-N 2 2 287.411 0.995 20 0 CCADLP COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)[C@H]1C ZINC000351629308 277353034 /nfs/dbraw/zinc/35/30/34/277353034.db2.gz PCYMVDNGFQUDSC-WCFLWFBJSA-N 2 2 270.373 0.325 20 0 CCADLP COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)[C@H]1C ZINC000351629308 277353035 /nfs/dbraw/zinc/35/30/35/277353035.db2.gz PCYMVDNGFQUDSC-WCFLWFBJSA-N 2 2 270.373 0.325 20 0 CCADLP COC(=O)[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)[C@H]1C ZINC000351629308 277353037 /nfs/dbraw/zinc/35/30/37/277353037.db2.gz PCYMVDNGFQUDSC-WCFLWFBJSA-N 2 2 270.373 0.325 20 0 CCADLP COC(=O)[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)[C@H]1C ZINC000351629308 277353038 /nfs/dbraw/zinc/35/30/38/277353038.db2.gz PCYMVDNGFQUDSC-WCFLWFBJSA-N 2 2 270.373 0.325 20 0 CCADLP COc1ccc(/C=C\C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000313137771 277399203 /nfs/dbraw/zinc/39/92/03/277399203.db2.gz CIDFWYYHTQACCW-PODYEWJSSA-N 2 2 289.379 0.810 20 0 CCADLP COc1ccc(/C=C\C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000313137771 277399204 /nfs/dbraw/zinc/39/92/04/277399204.db2.gz CIDFWYYHTQACCW-PODYEWJSSA-N 2 2 289.379 0.810 20 0 CCADLP COC1(C[NH2+][C@H]2CCn3cc[nH+]c3C2)CCOCC1 ZINC000428859232 277470177 /nfs/dbraw/zinc/47/01/77/277470177.db2.gz ZBZZGMLMSAZIDU-LBPRGKRZSA-N 2 2 265.357 0.983 20 0 CCADLP COc1ccccc1[C@H]([NH3+])C(=O)N1CCn2cc[nH+]c2C1 ZINC000430910637 278062442 /nfs/dbraw/zinc/06/24/42/278062442.db2.gz WHNJBVQJRALIKC-AWEZNQCLSA-N 2 2 286.335 0.934 20 0 CCADLP C[C@@H](C(=O)NCc1ccc[nH+]c1N(C)C)[C@H](C)[NH3+] ZINC000192095968 278208970 /nfs/dbraw/zinc/20/89/70/278208970.db2.gz XXPKDJVYDJSHQO-ZJUUUORDSA-N 2 2 250.346 0.747 20 0 CCADLP C[C@H]([NH3+])CCC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000277542989 278225289 /nfs/dbraw/zinc/22/52/89/278225289.db2.gz XCNMIEDUYRWRSZ-JTQLQIEISA-N 2 2 250.346 0.963 20 0 CCADLP CC1(C)C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)CO1 ZINC000417907027 278368940 /nfs/dbraw/zinc/36/89/40/278368940.db2.gz GLFHSIXCLZQXJI-VXGBXAGGSA-N 2 2 269.389 0.483 20 0 CCADLP CC1(C)C[C@@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)CO1 ZINC000417907027 278368941 /nfs/dbraw/zinc/36/89/41/278368941.db2.gz GLFHSIXCLZQXJI-VXGBXAGGSA-N 2 2 269.389 0.483 20 0 CCADLP C[C@H]1C[NH+](CC(=O)N2CC[NH+](C)CC2)C[C@H](C)S1 ZINC000121150519 278429046 /nfs/dbraw/zinc/42/90/46/278429046.db2.gz JDLRLAOXDDFYKX-RYUDHWBXSA-N 2 2 271.430 0.586 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1CN1CCOCC1 ZINC000514737723 279033617 /nfs/dbraw/zinc/03/36/17/279033617.db2.gz QVMPVLXFXOVOFL-JKSUJKDBSA-N 2 2 299.459 0.486 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1CN1CCOCC1 ZINC000514737723 279033618 /nfs/dbraw/zinc/03/36/18/279033618.db2.gz QVMPVLXFXOVOFL-JKSUJKDBSA-N 2 2 299.459 0.486 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000514737723 279033620 /nfs/dbraw/zinc/03/36/20/279033620.db2.gz QVMPVLXFXOVOFL-JKSUJKDBSA-N 2 2 299.459 0.486 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000514737723 279033621 /nfs/dbraw/zinc/03/36/21/279033621.db2.gz QVMPVLXFXOVOFL-JKSUJKDBSA-N 2 2 299.459 0.486 20 0 CCADLP CC[N@H+](C)C[C@@H](O)CN1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000514737723 279033623 /nfs/dbraw/zinc/03/36/23/279033623.db2.gz QVMPVLXFXOVOFL-JKSUJKDBSA-N 2 2 299.459 0.486 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)CN1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000514737723 279033626 /nfs/dbraw/zinc/03/36/26/279033626.db2.gz QVMPVLXFXOVOFL-JKSUJKDBSA-N 2 2 299.459 0.486 20 0 CCADLP CCN(CC)C(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420361370 279068810 /nfs/dbraw/zinc/06/88/10/279068810.db2.gz GVMUEIQPMLOYGC-AWEZNQCLSA-N 2 2 253.390 0.930 20 0 CCADLP CCN(CC)C(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420361370 279068811 /nfs/dbraw/zinc/06/88/11/279068811.db2.gz GVMUEIQPMLOYGC-AWEZNQCLSA-N 2 2 253.390 0.930 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N2C[C@H]3OCC[NH+](C)[C@@H]3C2)CCC[N@@H+]1C ZINC000344255535 279122076 /nfs/dbraw/zinc/12/20/76/279122076.db2.gz QGEPMJUANQZLAG-AAVRWANBSA-N 2 2 296.415 0.194 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N2C[C@H]3OCC[NH+](C)[C@@H]3C2)CCC[N@H+]1C ZINC000344255535 279122077 /nfs/dbraw/zinc/12/20/77/279122077.db2.gz QGEPMJUANQZLAG-AAVRWANBSA-N 2 2 296.415 0.194 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)CCC[NH+]1C ZINC000344255535 279122078 /nfs/dbraw/zinc/12/20/78/279122078.db2.gz QGEPMJUANQZLAG-AAVRWANBSA-N 2 2 296.415 0.194 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)CCC[NH+]1C ZINC000344255535 279122079 /nfs/dbraw/zinc/12/20/79/279122079.db2.gz QGEPMJUANQZLAG-AAVRWANBSA-N 2 2 296.415 0.194 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000245455316 279125502 /nfs/dbraw/zinc/12/55/02/279125502.db2.gz SKVXXJLWNLPUEM-MNOVXSKESA-N 2 2 270.377 0.234 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000245455316 279125504 /nfs/dbraw/zinc/12/55/04/279125504.db2.gz SKVXXJLWNLPUEM-MNOVXSKESA-N 2 2 270.377 0.234 20 0 CCADLP CC[NH+](CC)C[C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000336797885 279135543 /nfs/dbraw/zinc/13/55/43/279135543.db2.gz BXMJBMJDOWDZOZ-OAHLLOKOSA-N 2 2 269.433 0.982 20 0 CCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[NH+](C)CC1)C2 ZINC000289524558 279161878 /nfs/dbraw/zinc/16/18/78/279161878.db2.gz BIQSTAREUZGSDS-LBPRGKRZSA-N 2 2 262.357 0.528 20 0 CCADLP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420352259 279213996 /nfs/dbraw/zinc/21/39/96/279213996.db2.gz MAOSWBOWAHKLKT-SCRDCRAPSA-N 2 2 291.395 0.604 20 0 CCADLP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420352259 279213998 /nfs/dbraw/zinc/21/39/98/279213998.db2.gz MAOSWBOWAHKLKT-SCRDCRAPSA-N 2 2 291.395 0.604 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000422752098 279314654 /nfs/dbraw/zinc/31/46/54/279314654.db2.gz GWNCALBQMYKZID-AAVRWANBSA-N 3 2 255.406 0.813 20 0 CCADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000422752098 279314655 /nfs/dbraw/zinc/31/46/55/279314655.db2.gz GWNCALBQMYKZID-AAVRWANBSA-N 3 2 255.406 0.813 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCc3n[nH]cc3C2)CC1 ZINC000270563529 279343156 /nfs/dbraw/zinc/34/31/56/279343156.db2.gz VKNRZCLQEKHSQC-GFCCVEGCSA-N 2 2 291.399 0.320 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCc3n[nH]cc3C2)CC1 ZINC000270563529 279343160 /nfs/dbraw/zinc/34/31/60/279343160.db2.gz VKNRZCLQEKHSQC-GFCCVEGCSA-N 2 2 291.399 0.320 20 0 CCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)NC(=O)NCC(F)(F)F ZINC000430561695 280107234 /nfs/dbraw/zinc/10/72/34/280107234.db2.gz NSSVLLYSXDTMHN-SNVBAGLBSA-N 2 2 298.309 0.338 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000353631685 281286405 /nfs/dbraw/zinc/28/64/05/281286405.db2.gz FPUYCCIUXJHRAV-HNNXBMFYSA-N 2 2 283.416 0.603 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000353631685 281286408 /nfs/dbraw/zinc/28/64/08/281286408.db2.gz FPUYCCIUXJHRAV-HNNXBMFYSA-N 2 2 283.416 0.603 20 0 CCADLP C[NH+](C)C1(CNC(=O)/C=C\c2[nH]cc[nH+]2)CCOCC1 ZINC000493447974 282026464 /nfs/dbraw/zinc/02/64/64/282026464.db2.gz FKNRZMZPNUDHHH-ARJAWSKDSA-N 2 2 278.356 0.650 20 0 CCADLP C[NH+](C)CCC[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000182191631 289117849 /nfs/dbraw/zinc/11/78/49/289117849.db2.gz BWLMVGVNFRRMIS-VXGBXAGGSA-N 2 2 262.419 0.884 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)NC1CC1 ZINC000371301927 289332114 /nfs/dbraw/zinc/33/21/14/289332114.db2.gz WOOXEFLLKATCTE-HZSPNIEDSA-N 2 2 281.400 0.449 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC(=O)NC1CC1 ZINC000371301927 289332117 /nfs/dbraw/zinc/33/21/17/289332117.db2.gz WOOXEFLLKATCTE-HZSPNIEDSA-N 2 2 281.400 0.449 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@H]2CSC2(C)C)[C@H](C[NH3+])C1 ZINC000518940409 290017969 /nfs/dbraw/zinc/01/79/69/290017969.db2.gz JUALUNBDAKBLFX-ZJUUUORDSA-N 2 2 272.418 0.165 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@H]2CSC2(C)C)[C@H](C[NH3+])C1 ZINC000518940409 290017970 /nfs/dbraw/zinc/01/79/70/290017970.db2.gz JUALUNBDAKBLFX-ZJUUUORDSA-N 2 2 272.418 0.165 20 0 CCADLP C[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCOCC3)C2)C1 ZINC000346295697 290246680 /nfs/dbraw/zinc/24/66/80/290246680.db2.gz MTILPHGQCAHDLU-INIZCTEOSA-N 2 2 295.427 0.651 20 0 CCADLP C[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCOCC3)C2)C1 ZINC000346295697 290246684 /nfs/dbraw/zinc/24/66/84/290246684.db2.gz MTILPHGQCAHDLU-INIZCTEOSA-N 2 2 295.427 0.651 20 0 CCADLP COC[C@]1(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CCC[NH2+]1 ZINC000423426611 293295829 /nfs/dbraw/zinc/29/58/29/293295829.db2.gz NBBUOEDMYGUXGH-MELADBBJSA-N 3 2 255.406 0.685 20 0 CCADLP COC[C@]1(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CCC[NH2+]1 ZINC000423426611 293295830 /nfs/dbraw/zinc/29/58/30/293295830.db2.gz NBBUOEDMYGUXGH-MELADBBJSA-N 3 2 255.406 0.685 20 0 CCADLP CO[C@@H](C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354945822 293399886 /nfs/dbraw/zinc/39/98/86/293399886.db2.gz CVTQHFNHMBEKKQ-STQMWFEESA-N 2 2 283.416 0.648 20 0 CCADLP CO[C@@H](C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354945822 293399888 /nfs/dbraw/zinc/39/98/88/293399888.db2.gz CVTQHFNHMBEKKQ-STQMWFEESA-N 2 2 283.416 0.648 20 0 CCADLP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)C2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343918804 297071153 /nfs/dbraw/zinc/07/11/53/297071153.db2.gz FSGRXOIZWGYKCT-QLFBSQMISA-N 2 2 294.443 0.175 20 0 CCADLP C[C@@H]1C[N@H+]([C@@H]2CCN(C)C2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343918804 297071156 /nfs/dbraw/zinc/07/11/56/297071156.db2.gz FSGRXOIZWGYKCT-QLFBSQMISA-N 2 2 294.443 0.175 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000333845189 297265089 /nfs/dbraw/zinc/26/50/89/297265089.db2.gz PAQXTAKNRVWKPP-MRVWCRGKSA-N 2 2 296.415 0.228 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCS(=O)(=O)C2)CC[N@@H+]1C ZINC000157577780 297286840 /nfs/dbraw/zinc/28/68/40/297286840.db2.gz QMBRHMGORMYGNL-GRYCIOLGSA-N 2 2 260.403 0.636 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCS(=O)(=O)C2)CC[N@H+]1C ZINC000157577780 297286842 /nfs/dbraw/zinc/28/68/42/297286842.db2.gz QMBRHMGORMYGNL-GRYCIOLGSA-N 2 2 260.403 0.636 20 0 CCADLP C[C@H](C(=O)NC1CCCC1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107579202 298144122 /nfs/dbraw/zinc/14/41/22/298144122.db2.gz WIEFIPMLWLPFAO-UTUOFQBUSA-N 2 2 251.374 0.585 20 0 CCADLP C[C@H](C(=O)NC1CCCC1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107579202 298144125 /nfs/dbraw/zinc/14/41/25/298144125.db2.gz WIEFIPMLWLPFAO-UTUOFQBUSA-N 2 2 251.374 0.585 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000584286468 327218404 /nfs/dbraw/zinc/21/84/04/327218404.db2.gz QWACRKUXLQKAKT-QPSCCSFWSA-N 2 2 296.415 0.331 20 0 CCADLP NC(=O)CC[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000584286590 327218419 /nfs/dbraw/zinc/21/84/19/327218419.db2.gz XRROJSTYMLEWSH-UHFFFAOYSA-N 2 2 272.352 0.939 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000577861983 327283666 /nfs/dbraw/zinc/28/36/66/327283666.db2.gz SPWPDCIDUYTUIW-UONOGXRCSA-N 2 2 270.348 0.761 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000577861983 327283667 /nfs/dbraw/zinc/28/36/67/327283667.db2.gz SPWPDCIDUYTUIW-UONOGXRCSA-N 2 2 270.348 0.761 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000578903243 327353281 /nfs/dbraw/zinc/35/32/81/327353281.db2.gz ADCXOQHGRSWAEB-SNVBAGLBSA-N 2 2 251.334 0.095 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000578903243 327353283 /nfs/dbraw/zinc/35/32/83/327353283.db2.gz ADCXOQHGRSWAEB-SNVBAGLBSA-N 2 2 251.334 0.095 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+][C@H](C)Cn2cc[nH+]c2)no1 ZINC000582296133 328952484 /nfs/dbraw/zinc/95/24/84/328952484.db2.gz SEMABSSOIGMLMF-SNVBAGLBSA-N 2 2 277.328 0.608 20 0 CCADLP O=C(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)NCC1CCC1 ZINC000582463203 329087100 /nfs/dbraw/zinc/08/71/00/329087100.db2.gz QAZSKJPAMKFMMA-UHFFFAOYSA-N 2 2 277.372 0.448 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N1CC(n2cc[nH+]c2)C1 ZINC000582575591 329110092 /nfs/dbraw/zinc/11/00/92/329110092.db2.gz YHORCLUSOIWOTI-UHFFFAOYSA-N 2 2 286.401 0.411 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@H](C)[C@@H](C)N2CCOCC2)n1C ZINC000582615983 329118305 /nfs/dbraw/zinc/11/83/05/329118305.db2.gz CDWGSPZCONITHF-VXGBXAGGSA-N 2 2 266.389 0.927 20 0 CCADLP COCC[NH2+]C1CC[NH+]([C@@H]2CCN(C(C)C)C2=O)CC1 ZINC000582971359 329296748 /nfs/dbraw/zinc/29/67/48/329296748.db2.gz YJXINZFYBXOYFY-CQSZACIVSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)C(C)(C)C1)[NH+]1CC(C)C1 ZINC000583154011 329323740 /nfs/dbraw/zinc/32/37/40/329323740.db2.gz SEJOCNHHMRSRQQ-GFCCVEGCSA-N 2 2 253.390 0.879 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)C(C)(C)C1)[NH+]1CC(C)C1 ZINC000583154011 329323742 /nfs/dbraw/zinc/32/37/42/329323742.db2.gz SEJOCNHHMRSRQQ-GFCCVEGCSA-N 2 2 253.390 0.879 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)n1C ZINC000583213970 329367741 /nfs/dbraw/zinc/36/77/41/329367741.db2.gz AFNAYAPLHIKAOY-VIFPVBQESA-N 2 2 271.386 0.784 20 0 CCADLP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)C(=O)NCC2 ZINC000584404803 329457860 /nfs/dbraw/zinc/45/78/60/329457860.db2.gz BCWLNCWBALMIEQ-KBPBESRZSA-N 2 2 259.353 0.942 20 0 CCADLP NC(=O)[C@@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000574994914 330126038 /nfs/dbraw/zinc/12/60/38/330126038.db2.gz OXZGNTNMZRCXAK-AWEZNQCLSA-N 2 2 275.352 0.018 20 0 CCADLP NC(=O)[C@@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000574994914 330126039 /nfs/dbraw/zinc/12/60/39/330126039.db2.gz OXZGNTNMZRCXAK-AWEZNQCLSA-N 2 2 275.352 0.018 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccsc1 ZINC000576225526 335173490 /nfs/dbraw/zinc/17/34/90/335173490.db2.gz RJHGLNTZBQUTAJ-CMPLNLGQSA-N 2 2 267.398 0.953 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccsc1 ZINC000576225526 335173492 /nfs/dbraw/zinc/17/34/92/335173492.db2.gz RJHGLNTZBQUTAJ-CMPLNLGQSA-N 2 2 267.398 0.953 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2nncs2)CC1 ZINC000175049686 335171771 /nfs/dbraw/zinc/17/17/71/335171771.db2.gz PLOUSPDQALLVMT-UHFFFAOYSA-N 2 2 298.416 0.686 20 0 CCADLP C[C@H](C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)[NH+]1CC(C)C1 ZINC000553496907 334388476 /nfs/dbraw/zinc/38/84/76/334388476.db2.gz IDABFORTNQGUGJ-CABCVRRESA-N 2 2 295.427 0.507 20 0 CCADLP O=C(C[C@@H]1CSCC[NH2+]1)NCCNc1cccc[nH+]1 ZINC000565888903 334605959 /nfs/dbraw/zinc/60/59/59/334605959.db2.gz IEGLFRRJPRRQQZ-LLVKDONJSA-N 2 2 280.397 0.705 20 0 CCADLP CO[C@H]1CCN(Cc2cc[nH+]c(N)c2)[C@@H](C[NH3+])C1 ZINC000573001182 334899670 /nfs/dbraw/zinc/89/96/70/334899670.db2.gz HBSYPGQSSVKKLK-NEPJUHHUSA-N 2 2 250.346 0.432 20 0 CCADLP CC(C)(CNC(=O)C[NH2+][C@@H]1CCC1(C)C)[NH+]1CCOCC1 ZINC000576526533 335215190 /nfs/dbraw/zinc/21/51/90/335215190.db2.gz FGWLISDAWWJUOC-CYBMUJFWSA-N 2 2 297.443 0.992 20 0 CCADLP COc1ccncc1C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000576861462 335256786 /nfs/dbraw/zinc/25/67/86/335256786.db2.gz RPAPTQTVDSXKOM-YPMHNXCESA-N 2 2 265.357 0.947 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000576926845 335264556 /nfs/dbraw/zinc/26/45/56/335264556.db2.gz CPDFQWOOCOBHNI-MELADBBJSA-N 2 2 296.415 0.004 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000576926845 335264558 /nfs/dbraw/zinc/26/45/58/335264558.db2.gz CPDFQWOOCOBHNI-MELADBBJSA-N 2 2 296.415 0.004 20 0 CCADLP C[C@H](CC[NH+](C)C)NC[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000580554615 335279531 /nfs/dbraw/zinc/27/95/31/335279531.db2.gz ZTCRWNKDIWWYTN-KBXIAJHMSA-N 2 2 287.448 0.386 20 0 CCADLP C[C@H](CC[NH+](C)C)NC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000580554615 335279533 /nfs/dbraw/zinc/27/95/33/335279533.db2.gz ZTCRWNKDIWWYTN-KBXIAJHMSA-N 2 2 287.448 0.386 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCC(=O)C1 ZINC000577110737 335301821 /nfs/dbraw/zinc/30/18/21/335301821.db2.gz OQYAPKSIRRFLMO-ZDUSSCGKSA-N 2 2 295.427 0.840 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCC(=O)C1 ZINC000577110737 335301822 /nfs/dbraw/zinc/30/18/22/335301822.db2.gz OQYAPKSIRRFLMO-ZDUSSCGKSA-N 2 2 295.427 0.840 20 0 CCADLP CC1(C)C[NH+](CC(=O)N2CCN(c3[nH]cc[nH+]3)CC2)C1 ZINC000580656872 335313892 /nfs/dbraw/zinc/31/38/92/335313892.db2.gz REOFUXBHFOSXHC-UHFFFAOYSA-N 2 2 277.372 0.400 20 0 CCADLP CC[N@H+]1CC[C@H](NC[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000577275640 335333641 /nfs/dbraw/zinc/33/36/41/335333641.db2.gz KHRSHHUJVFBAJW-KBXIAJHMSA-N 2 2 285.432 0.140 20 0 CCADLP CCOC(=O)[C@H](C)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177376564 335371299 /nfs/dbraw/zinc/37/12/99/335371299.db2.gz YZFSXXJKVLXFCK-ZDUSSCGKSA-N 2 2 285.432 0.896 20 0 CCADLP CCOC(=O)[C@H](C)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177376564 335371301 /nfs/dbraw/zinc/37/13/01/335371301.db2.gz YZFSXXJKVLXFCK-ZDUSSCGKSA-N 2 2 285.432 0.896 20 0 CCADLP CC[C@@]1(C)COCC[N@@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000577623092 335380948 /nfs/dbraw/zinc/38/09/48/335380948.db2.gz DOSAEEPGWXMOTJ-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP CC[C@@]1(C)COCC[N@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000577623092 335380949 /nfs/dbraw/zinc/38/09/49/335380949.db2.gz DOSAEEPGWXMOTJ-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP CC[C@@]1(C)COCC[NH+]1C[C@H](O)C[N@H+](C)CCOC ZINC000577623092 335380951 /nfs/dbraw/zinc/38/09/51/335380951.db2.gz DOSAEEPGWXMOTJ-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP CC[C@@]1(C)COCC[NH+]1C[C@H](O)C[N@@H+](C)CCOC ZINC000577623092 335380953 /nfs/dbraw/zinc/38/09/53/335380953.db2.gz DOSAEEPGWXMOTJ-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000577634097 335383375 /nfs/dbraw/zinc/38/33/75/335383375.db2.gz BVJBJHLZHKRCLM-OEAJRASXSA-N 3 2 277.412 0.586 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000577634097 335383376 /nfs/dbraw/zinc/38/33/76/335383376.db2.gz BVJBJHLZHKRCLM-OEAJRASXSA-N 3 2 277.412 0.586 20 0 CCADLP CC(C)COC1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000178986570 335469259 /nfs/dbraw/zinc/46/92/59/335469259.db2.gz BONJIWSHBQZDOZ-UHFFFAOYSA-N 2 2 297.443 0.897 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000578197823 335553737 /nfs/dbraw/zinc/55/37/37/335553737.db2.gz ZRBRYWKAEGHWQP-STQMWFEESA-N 2 2 280.372 0.671 20 0 CCADLP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cn(Cc2cccnc2)nn1 ZINC000578358506 335619612 /nfs/dbraw/zinc/61/96/12/335619612.db2.gz DZNJAXLPPJCHHT-VXGBXAGGSA-N 2 2 274.372 0.937 20 0 CCADLP NC(=O)c1ccc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000581108385 336009245 /nfs/dbraw/zinc/00/92/45/336009245.db2.gz AXOQRTILCDWFGH-UHFFFAOYSA-N 2 2 285.351 0.831 20 0 CCADLP CO[C@@H]([C@H](C)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000581121344 336011046 /nfs/dbraw/zinc/01/10/46/336011046.db2.gz MPMLYNVSXYLOLR-DRZSPHRISA-N 2 2 284.404 0.084 20 0 CCADLP CO[C@@H]([C@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000581121344 336011047 /nfs/dbraw/zinc/01/10/47/336011047.db2.gz MPMLYNVSXYLOLR-DRZSPHRISA-N 2 2 284.404 0.084 20 0 CCADLP C[NH2+]C[C@](C)(O)CN1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000581613218 336112444 /nfs/dbraw/zinc/11/24/44/336112444.db2.gz VTTUNPICBMCFTQ-HOCLYGCPSA-N 2 2 292.427 0.731 20 0 CCADLP CCN1CCN(C[C@H](O)C[N@H+](C)CC)C[C@@H]1c1[nH]cc[nH+]1 ZINC000581674343 336126308 /nfs/dbraw/zinc/12/63/08/336126308.db2.gz AQNOZNSORRCCJC-ZIAGYGMSSA-N 2 2 295.431 0.401 20 0 CCADLP CCN1CCN(C[C@H](O)C[N@@H+](C)CC)C[C@@H]1c1[nH]cc[nH+]1 ZINC000581674343 336126309 /nfs/dbraw/zinc/12/63/09/336126309.db2.gz AQNOZNSORRCCJC-ZIAGYGMSSA-N 2 2 295.431 0.401 20 0 CCADLP CC[C@@H]1C[C@H]1[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000581812058 336146601 /nfs/dbraw/zinc/14/66/01/336146601.db2.gz MABDXDUBGKTOCI-PDWCTOEPSA-N 2 2 256.390 0.845 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000581823413 336147584 /nfs/dbraw/zinc/14/75/84/336147584.db2.gz FIUMTCWJBWSAKJ-ZDUSSCGKSA-N 2 2 298.431 0.091 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000581823413 336147585 /nfs/dbraw/zinc/14/75/85/336147585.db2.gz FIUMTCWJBWSAKJ-ZDUSSCGKSA-N 2 2 298.431 0.091 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C1(C[NH3+])CCC1 ZINC000385465342 336147776 /nfs/dbraw/zinc/14/77/76/336147776.db2.gz LOCHGYHLCGIYSR-VIFPVBQESA-N 2 2 256.350 0.034 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C1(C[NH3+])CCC1 ZINC000385465342 336147777 /nfs/dbraw/zinc/14/77/77/336147777.db2.gz LOCHGYHLCGIYSR-VIFPVBQESA-N 2 2 256.350 0.034 20 0 CCADLP CC(=O)NCCC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000581887457 336160348 /nfs/dbraw/zinc/16/03/48/336160348.db2.gz QZLUPZGZHWYPPT-UHFFFAOYSA-N 2 2 283.416 0.339 20 0 CCADLP CN(C(=O)C[NH+]1CC(C)(C)C1)[C@@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000581894412 336162111 /nfs/dbraw/zinc/16/21/11/336162111.db2.gz RTCSEWOPUSTNID-OLZOCXBDSA-N 2 2 281.400 0.260 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000417513345 545093922 /nfs/dbraw/zinc/09/39/22/545093922.db2.gz XQJRDAKVOAVCIO-QWHCGFSZSA-N 2 2 298.431 0.666 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000417513345 545093923 /nfs/dbraw/zinc/09/39/23/545093923.db2.gz XQJRDAKVOAVCIO-QWHCGFSZSA-N 2 2 298.431 0.666 20 0 CCADLP CCOC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000363453533 521013365 /nfs/dbraw/zinc/01/33/65/521013365.db2.gz YRZOBEXGROVHHQ-CYBMUJFWSA-N 2 2 284.400 0.982 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000449146542 533796269 /nfs/dbraw/zinc/79/62/69/533796269.db2.gz NTNKYQLUMQGFIN-JSGCOSHPSA-N 2 2 281.400 0.450 20 0 CCADLP Cc1ccc(O)c(C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)n1 ZINC000424376951 534196388 /nfs/dbraw/zinc/19/63/88/534196388.db2.gz LMDWTRCAKNWMBH-QWHCGFSZSA-N 2 2 287.367 0.756 20 0 CCADLP Cc1ccc(O)c(C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)n1 ZINC000424376951 534196393 /nfs/dbraw/zinc/19/63/93/534196393.db2.gz LMDWTRCAKNWMBH-QWHCGFSZSA-N 2 2 287.367 0.756 20 0 CCADLP CCn1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cn1 ZINC000252666886 536071737 /nfs/dbraw/zinc/07/17/37/536071737.db2.gz CDQPVEWITWRVOS-UONOGXRCSA-N 2 2 264.373 0.856 20 0 CCADLP CCn1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cn1 ZINC000252666886 536071739 /nfs/dbraw/zinc/07/17/39/536071739.db2.gz CDQPVEWITWRVOS-UONOGXRCSA-N 2 2 264.373 0.856 20 0 CCADLP C[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449397494 534270918 /nfs/dbraw/zinc/27/09/18/534270918.db2.gz VJJYKRXBXZVNNQ-KBPBESRZSA-N 2 2 266.389 0.708 20 0 CCADLP C[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449397494 534270920 /nfs/dbraw/zinc/27/09/20/534270920.db2.gz VJJYKRXBXZVNNQ-KBPBESRZSA-N 2 2 266.389 0.708 20 0 CCADLP C[C@@H]([NH3+])CC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000423864437 534289201 /nfs/dbraw/zinc/28/92/01/534289201.db2.gz JNODCOPSXGFXRT-DGCLKSJQSA-N 2 2 269.389 0.293 20 0 CCADLP C[C@@H]([NH3+])CC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000423864437 534289202 /nfs/dbraw/zinc/28/92/02/534289202.db2.gz JNODCOPSXGFXRT-DGCLKSJQSA-N 2 2 269.389 0.293 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CCn2cccn2)CC1 ZINC000367308844 534426351 /nfs/dbraw/zinc/42/63/51/534426351.db2.gz FMZIYCRKKROXEY-AWEZNQCLSA-N 2 2 291.399 0.297 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CCn2cccn2)CC1 ZINC000367308844 534426356 /nfs/dbraw/zinc/42/63/56/534426356.db2.gz FMZIYCRKKROXEY-AWEZNQCLSA-N 2 2 291.399 0.297 20 0 CCADLP Cc1nc(N2CC[C@@H](C[NH+](C)C)C2)nc(N(C)C)[nH+]1 ZINC000358138674 534434365 /nfs/dbraw/zinc/43/43/65/534434365.db2.gz VMSNIUSIMMNBJJ-NSHDSACASA-N 2 2 264.377 0.634 20 0 CCADLP Cc1nc(N(C)C)nc(N2CC[C@@H](C[NH+](C)C)C2)[nH+]1 ZINC000358138674 534434372 /nfs/dbraw/zinc/43/43/72/534434372.db2.gz VMSNIUSIMMNBJJ-NSHDSACASA-N 2 2 264.377 0.634 20 0 CCADLP O=C(CC[C@@H]1CCC[NH2+]1)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424197789 534444665 /nfs/dbraw/zinc/44/46/65/534444665.db2.gz WZJGKHIMNTWELV-QWRGUYRKSA-N 2 2 275.343 0.880 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@@H]([NH3+])[C@H](C)CC)CC1 ZINC000155622634 519915959 /nfs/dbraw/zinc/91/59/59/519915959.db2.gz MWTGNZCNGOHPCL-OLZOCXBDSA-N 2 2 271.405 0.541 20 0 CCADLP O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)[C@@H]1CCCC[NH2+]1 ZINC000423760027 534601207 /nfs/dbraw/zinc/60/12/07/534601207.db2.gz PTVIVGZUUHHFEP-OLZOCXBDSA-N 2 2 267.373 0.108 20 0 CCADLP O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)[C@@H]1CCCC[NH2+]1 ZINC000423760027 534601212 /nfs/dbraw/zinc/60/12/12/534601212.db2.gz PTVIVGZUUHHFEP-OLZOCXBDSA-N 2 2 267.373 0.108 20 0 CCADLP CO[C@@H](C)[C@@H](C)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000353640009 523427023 /nfs/dbraw/zinc/42/70/23/523427023.db2.gz FSIOZPQTEWWKNC-CABCVRRESA-N 2 2 299.459 0.796 20 0 CCADLP CO[C@@H](C)[C@@H](C)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000353640009 523427035 /nfs/dbraw/zinc/42/70/35/523427035.db2.gz FSIOZPQTEWWKNC-CABCVRRESA-N 2 2 299.459 0.796 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000353436294 523591954 /nfs/dbraw/zinc/59/19/54/523591954.db2.gz XSQPRZZNZLCFNY-STQMWFEESA-N 2 2 283.416 0.602 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000353436294 523591968 /nfs/dbraw/zinc/59/19/68/523591968.db2.gz XSQPRZZNZLCFNY-STQMWFEESA-N 2 2 283.416 0.602 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000366020269 523849326 /nfs/dbraw/zinc/84/93/26/523849326.db2.gz VSMNFQBIQJAAFU-CYBMUJFWSA-N 2 2 292.383 0.551 20 0 CCADLP C[NH+]1CCN(CCNC(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000068253796 523903705 /nfs/dbraw/zinc/90/37/05/523903705.db2.gz GXVAKKLNQGFEKJ-UHFFFAOYSA-N 2 2 287.367 0.312 20 0 CCADLP C[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357719619 524088102 /nfs/dbraw/zinc/08/81/02/524088102.db2.gz BSBGGRMWXAZSQA-CQSZACIVSA-N 2 2 297.443 0.776 20 0 CCADLP C[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357719619 524088106 /nfs/dbraw/zinc/08/81/06/524088106.db2.gz BSBGGRMWXAZSQA-CQSZACIVSA-N 2 2 297.443 0.776 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@@H]1C[NH3+] ZINC000163824740 524282732 /nfs/dbraw/zinc/28/27/32/524282732.db2.gz XHBSOVNKGKNJMJ-QWRGUYRKSA-N 2 2 284.404 0.527 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@@H]1C[NH3+] ZINC000163824740 524282742 /nfs/dbraw/zinc/28/27/42/524282742.db2.gz XHBSOVNKGKNJMJ-QWRGUYRKSA-N 2 2 284.404 0.527 20 0 CCADLP C[C@@H](CNC(=O)NCc1c[nH+]cn1C)[N@H+](C)C1CC1 ZINC000357952579 524684427 /nfs/dbraw/zinc/68/44/27/524684427.db2.gz FDSZACLZWYPOSX-JTQLQIEISA-N 2 2 265.361 0.702 20 0 CCADLP C[C@@H](CNC(=O)NCc1c[nH+]cn1C)[N@@H+](C)C1CC1 ZINC000357952579 524684440 /nfs/dbraw/zinc/68/44/40/524684440.db2.gz FDSZACLZWYPOSX-JTQLQIEISA-N 2 2 265.361 0.702 20 0 CCADLP C[N@H+](CCO)C1CCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000665699498 545103375 /nfs/dbraw/zinc/10/33/75/545103375.db2.gz SRZXYRABYHQFPH-UHFFFAOYSA-N 2 2 293.371 0.174 20 0 CCADLP C[N@@H+](CCO)C1CCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000665699498 545103376 /nfs/dbraw/zinc/10/33/76/545103376.db2.gz SRZXYRABYHQFPH-UHFFFAOYSA-N 2 2 293.371 0.174 20 0 CCADLP C[N@H+](CCO)C1CCN(c2[nH+]cnc3c2OCCN3)CC1 ZINC000665699498 545103377 /nfs/dbraw/zinc/10/33/77/545103377.db2.gz SRZXYRABYHQFPH-UHFFFAOYSA-N 2 2 293.371 0.174 20 0 CCADLP C[N@@H+](CCO)C1CCN(c2[nH+]cnc3c2OCCN3)CC1 ZINC000665699498 545103378 /nfs/dbraw/zinc/10/33/78/545103378.db2.gz SRZXYRABYHQFPH-UHFFFAOYSA-N 2 2 293.371 0.174 20 0 CCADLP C[C@@]([NH3+])(C(=O)NCCn1cc[nH+]c1)c1ccccc1 ZINC000052882782 525746928 /nfs/dbraw/zinc/74/69/28/525746928.db2.gz IPGUOSVSDPHSBO-AWEZNQCLSA-N 2 2 258.325 0.873 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]([NH3+])c2ccccc2)C[C@@H]1C ZINC000246729792 525761556 /nfs/dbraw/zinc/76/15/56/525761556.db2.gz YFOYMNFLHGSOPT-KCQAQPDRSA-N 2 2 291.395 0.600 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]([NH3+])c2ccccc2)C[C@@H]1C ZINC000246729792 525761562 /nfs/dbraw/zinc/76/15/62/525761562.db2.gz YFOYMNFLHGSOPT-KCQAQPDRSA-N 2 2 291.395 0.600 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)CCOC1C[NH2+]C1 ZINC000348992641 534912685 /nfs/dbraw/zinc/91/26/85/534912685.db2.gz PHVSRDAVYXIJQE-UHFFFAOYSA-N 2 2 280.372 0.534 20 0 CCADLP C=Cn1cc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cn1 ZINC000449392895 526282946 /nfs/dbraw/zinc/28/29/46/526282946.db2.gz ABOYEXKXEFJZIU-AWEZNQCLSA-N 2 2 264.373 0.920 20 0 CCADLP C=Cn1cc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cn1 ZINC000449392895 526282949 /nfs/dbraw/zinc/28/29/49/526282949.db2.gz ABOYEXKXEFJZIU-AWEZNQCLSA-N 2 2 264.373 0.920 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000666239361 545116982 /nfs/dbraw/zinc/11/69/82/545116982.db2.gz YLYPSXIAHDCNFV-UHFFFAOYSA-N 2 2 291.359 0.832 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000666239361 545116983 /nfs/dbraw/zinc/11/69/83/545116983.db2.gz YLYPSXIAHDCNFV-UHFFFAOYSA-N 2 2 291.359 0.832 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)N1CCOCC1 ZINC000156304843 526799804 /nfs/dbraw/zinc/79/98/04/526799804.db2.gz QCFGIZYCRROAIX-CQSZACIVSA-N 2 2 291.351 0.394 20 0 CCADLP O=C(C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)N1CCOCC1 ZINC000156304843 526799807 /nfs/dbraw/zinc/79/98/07/526799807.db2.gz QCFGIZYCRROAIX-CQSZACIVSA-N 2 2 291.351 0.394 20 0 CCADLP CC(C)(C[NH+]1CCOCC1)NC(=O)NCCn1cc[nH+]c1 ZINC000413049071 527085801 /nfs/dbraw/zinc/08/58/01/527085801.db2.gz IHMDVKOKNIDQMW-UHFFFAOYSA-N 2 2 295.387 0.293 20 0 CCADLP C[C@@H](NC(=O)NCC[NH+]1CCC1)c1[nH+]ccn1C ZINC000667252617 545142397 /nfs/dbraw/zinc/14/23/97/545142397.db2.gz LIVSTNDGTURDHH-SNVBAGLBSA-N 2 2 251.334 0.486 20 0 CCADLP C[C@H](NC(=O)N(C)CC[NH+](C)C)c1[nH+]ccn1C ZINC000667253441 545142604 /nfs/dbraw/zinc/14/26/04/545142604.db2.gz CVOXGQPXTPGWKP-JTQLQIEISA-N 2 2 253.350 0.684 20 0 CCADLP CCNS(=O)(=O)[C@@H]1CC[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000667952205 545159141 /nfs/dbraw/zinc/15/91/41/545159141.db2.gz ROPDJCSWOXEGAJ-GFCCVEGCSA-N 2 2 286.401 0.242 20 0 CCADLP CCNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000667952205 545159142 /nfs/dbraw/zinc/15/91/42/545159142.db2.gz ROPDJCSWOXEGAJ-GFCCVEGCSA-N 2 2 286.401 0.242 20 0 CCADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000668203414 545167168 /nfs/dbraw/zinc/16/71/68/545167168.db2.gz HVXWVTHRJSCQOI-ZNMIVQPWSA-N 2 2 268.401 0.990 20 0 CCADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000668203414 545167169 /nfs/dbraw/zinc/16/71/69/545167169.db2.gz HVXWVTHRJSCQOI-ZNMIVQPWSA-N 2 2 268.401 0.990 20 0 CCADLP CNC(=O)NC1CC[NH+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000668240462 545169132 /nfs/dbraw/zinc/16/91/32/545169132.db2.gz JLRDGMCAVFSMMW-UHFFFAOYSA-N 2 2 277.372 0.723 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ncc[nH]3)C2)CC1 ZINC000668640692 545185019 /nfs/dbraw/zinc/18/50/19/545185019.db2.gz VYKFAEVUSCMWPT-LLVKDONJSA-N 2 2 277.372 0.308 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ncc[nH]3)C2)CC1 ZINC000668640692 545185020 /nfs/dbraw/zinc/18/50/20/545185020.db2.gz VYKFAEVUSCMWPT-LLVKDONJSA-N 2 2 277.372 0.308 20 0 CCADLP O=C(NCC[NH2+]C1CC1)NCc1cn2ccccc2[nH+]1 ZINC000668688606 545187255 /nfs/dbraw/zinc/18/72/55/545187255.db2.gz CQASPAINIYFXAP-UHFFFAOYSA-N 2 2 273.340 0.886 20 0 CCADLP CCO[C@@H]1COC[C@H]1[NH2+]C1CC[NH+](CCOC)CC1 ZINC000449724969 527784324 /nfs/dbraw/zinc/78/43/24/527784324.db2.gz ZDUQEYWNNNRSRE-ZIAGYGMSSA-N 2 2 272.389 0.491 20 0 CCADLP CC1(C)OCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000453255875 527802760 /nfs/dbraw/zinc/80/27/60/527802760.db2.gz FSJVGWYBDVROAK-OLZOCXBDSA-N 2 2 256.390 0.990 20 0 CCADLP CC1(C)OCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000453255875 527802765 /nfs/dbraw/zinc/80/27/65/527802765.db2.gz FSJVGWYBDVROAK-OLZOCXBDSA-N 2 2 256.390 0.990 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCOC[C@H]2OC)C1 ZINC000449461103 527973251 /nfs/dbraw/zinc/97/32/51/527973251.db2.gz SITXKMPSRNIIPE-IGQOVBAYSA-N 2 2 256.390 0.968 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCOC[C@H]2OC)C1 ZINC000449461103 527973257 /nfs/dbraw/zinc/97/32/57/527973257.db2.gz SITXKMPSRNIIPE-IGQOVBAYSA-N 2 2 256.390 0.968 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428031974 528047964 /nfs/dbraw/zinc/04/79/64/528047964.db2.gz MHYCMVSVFCTHJA-AVGNSLFASA-N 2 2 296.415 0.541 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428031974 528047966 /nfs/dbraw/zinc/04/79/66/528047966.db2.gz MHYCMVSVFCTHJA-AVGNSLFASA-N 2 2 296.415 0.541 20 0 CCADLP CCNC(=O)CC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000358468385 528072293 /nfs/dbraw/zinc/07/22/93/528072293.db2.gz NKAIDSNXTBJNSE-UHFFFAOYSA-N 2 2 265.361 0.054 20 0 CCADLP CCOC(=O)[C@H]1C[N@H+](CCCn2cc[nH+]c2)CC12COC2 ZINC000451134387 528081544 /nfs/dbraw/zinc/08/15/44/528081544.db2.gz LDQMVXXSMKNGCB-CYBMUJFWSA-N 2 2 293.367 0.785 20 0 CCADLP CCOC(=O)[C@H]1C[N@@H+](CCCn2cc[nH+]c2)CC12COC2 ZINC000451134387 528081548 /nfs/dbraw/zinc/08/15/48/528081548.db2.gz LDQMVXXSMKNGCB-CYBMUJFWSA-N 2 2 293.367 0.785 20 0 CCADLP CC[C@@H]1CN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC[C@H]1[NH3+] ZINC000669461704 545208848 /nfs/dbraw/zinc/20/88/48/545208848.db2.gz UHXOIMDNYDUZLN-MGPQQGTHSA-N 2 2 298.431 0.476 20 0 CCADLP CC[C@@H]1CN(C(=O)NCC[N@H+]2CCOC[C@H]2C)CC[C@H]1[NH3+] ZINC000669461704 545208849 /nfs/dbraw/zinc/20/88/49/545208849.db2.gz UHXOIMDNYDUZLN-MGPQQGTHSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000669461870 545208868 /nfs/dbraw/zinc/20/88/68/545208868.db2.gz GOGNAPWTXQNAOH-STQMWFEESA-N 2 2 284.404 0.148 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000669461870 545208869 /nfs/dbraw/zinc/20/88/69/545208869.db2.gz GOGNAPWTXQNAOH-STQMWFEESA-N 2 2 284.404 0.148 20 0 CCADLP C[C@@H](NC(=O)NCC[NH2+]C1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000669463915 545208970 /nfs/dbraw/zinc/20/89/70/545208970.db2.gz CVNNQIBOXOTUKB-NEPJUHHUSA-N 2 2 284.404 0.147 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669590709 545215759 /nfs/dbraw/zinc/21/57/59/545215759.db2.gz FUMWVIKHPHXBDH-WCQYABFASA-N 2 2 290.367 0.984 20 0 CCADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])[C@@H]1CCCCO1 ZINC000669553740 545214500 /nfs/dbraw/zinc/21/45/00/545214500.db2.gz XZWJZUASEJLFDE-XQQFMLRXSA-N 2 2 284.404 0.228 20 0 CCADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])[C@@H]1CCCCO1 ZINC000669553740 545214501 /nfs/dbraw/zinc/21/45/01/545214501.db2.gz XZWJZUASEJLFDE-XQQFMLRXSA-N 2 2 284.404 0.228 20 0 CCADLP C[C@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C(F)(F)F ZINC000669563923 545214785 /nfs/dbraw/zinc/21/47/85/545214785.db2.gz CCLVYHHOKWTMMO-RKDXNWHRSA-N 2 2 282.310 0.469 20 0 CCADLP C[C@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C(F)(F)F ZINC000669563923 545214786 /nfs/dbraw/zinc/21/47/86/545214786.db2.gz CCLVYHHOKWTMMO-RKDXNWHRSA-N 2 2 282.310 0.469 20 0 CCADLP CC[NH2+]CC1CCN(C(=O)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000429515648 528287133 /nfs/dbraw/zinc/28/71/33/528287133.db2.gz NZZKGGWDKDDCNE-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[NH+](CCO)C(C)(C)C2)CCO1 ZINC000669693481 545219489 /nfs/dbraw/zinc/21/94/89/545219489.db2.gz ZHMJCBSMXIUNGW-CQSZACIVSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](CCO)C(C)(C)C2)CCO1 ZINC000669693481 545219490 /nfs/dbraw/zinc/21/94/90/545219490.db2.gz ZHMJCBSMXIUNGW-CQSZACIVSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[N@H+](CCO)C(C)(C)C2)CCO1 ZINC000669693481 545219491 /nfs/dbraw/zinc/21/94/91/545219491.db2.gz ZHMJCBSMXIUNGW-CQSZACIVSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[N@@H+](CCO)C(C)(C)C2)CCO1 ZINC000669693481 545219492 /nfs/dbraw/zinc/21/94/92/545219492.db2.gz ZHMJCBSMXIUNGW-CQSZACIVSA-N 2 2 285.432 0.096 20 0 CCADLP Cc1cc([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)nn1C ZINC000669699137 545219671 /nfs/dbraw/zinc/21/96/71/545219671.db2.gz RFFDUZGSCKWXIL-LBPRGKRZSA-N 2 2 279.388 0.153 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000423684629 528477279 /nfs/dbraw/zinc/47/72/79/528477279.db2.gz RPGJDJGFRWWPJK-GRYCIOLGSA-N 2 2 257.378 0.339 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000423684629 528477286 /nfs/dbraw/zinc/47/72/86/528477286.db2.gz RPGJDJGFRWWPJK-GRYCIOLGSA-N 2 2 257.378 0.339 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000418203100 528512185 /nfs/dbraw/zinc/51/21/85/528512185.db2.gz DBKAQKHECWRWDG-OCCSQVGLSA-N 2 2 298.431 0.522 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000418203100 528512193 /nfs/dbraw/zinc/51/21/93/528512193.db2.gz DBKAQKHECWRWDG-OCCSQVGLSA-N 2 2 298.431 0.522 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000417931890 528527209 /nfs/dbraw/zinc/52/72/09/528527209.db2.gz VXJMUPBJOXVJSZ-STQMWFEESA-N 2 2 291.399 0.943 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000449122638 528540261 /nfs/dbraw/zinc/54/02/61/528540261.db2.gz AAOMRHHHXRBOQB-WCQYABFASA-N 2 2 269.389 0.354 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000449122638 528540264 /nfs/dbraw/zinc/54/02/64/528540264.db2.gz AAOMRHHHXRBOQB-WCQYABFASA-N 2 2 269.389 0.354 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000449143395 528551930 /nfs/dbraw/zinc/55/19/30/528551930.db2.gz WTJVWDVSKZIQFV-MJBXVCDLSA-N 2 2 283.416 0.554 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000449122637 528554301 /nfs/dbraw/zinc/55/43/01/528554301.db2.gz AAOMRHHHXRBOQB-DGCLKSJQSA-N 2 2 269.389 0.354 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000449122637 528554305 /nfs/dbraw/zinc/55/43/05/528554305.db2.gz AAOMRHHHXRBOQB-DGCLKSJQSA-N 2 2 269.389 0.354 20 0 CCADLP CCCC[C@@H](C[NH3+])NC(=O)N1CCn2c[nH+]cc2C1 ZINC000418446676 528805589 /nfs/dbraw/zinc/80/55/89/528805589.db2.gz OPBDHYVYRQWFMR-NSHDSACASA-N 2 2 265.361 0.926 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424338214 528980415 /nfs/dbraw/zinc/98/04/15/528980415.db2.gz UFWOEPAVJCIXAF-ZIAGYGMSSA-N 3 2 282.432 0.446 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000423958724 529128038 /nfs/dbraw/zinc/12/80/38/529128038.db2.gz MKHAJXIGZMKPKF-CYBMUJFWSA-N 2 2 298.431 0.077 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000423958724 529128040 /nfs/dbraw/zinc/12/80/40/529128040.db2.gz MKHAJXIGZMKPKF-CYBMUJFWSA-N 2 2 298.431 0.077 20 0 CCADLP C[N@@H+]1CCCN(CCCNC(=O)Cn2cc[nH+]c2)CC1 ZINC000673670202 545290692 /nfs/dbraw/zinc/29/06/92/545290692.db2.gz GMVIOJGIHLJSQP-UHFFFAOYSA-N 2 2 279.388 0.027 20 0 CCADLP C[N@H+]1CCCN(CCCNC(=O)Cn2cc[nH+]c2)CC1 ZINC000673670202 545290693 /nfs/dbraw/zinc/29/06/93/545290693.db2.gz GMVIOJGIHLJSQP-UHFFFAOYSA-N 2 2 279.388 0.027 20 0 CCADLP CN1CCC[N@H+](CCCNC(=O)Cn2cc[nH+]c2)CC1 ZINC000673670202 545290694 /nfs/dbraw/zinc/29/06/94/545290694.db2.gz GMVIOJGIHLJSQP-UHFFFAOYSA-N 2 2 279.388 0.027 20 0 CCADLP CN1CCC[N@@H+](CCCNC(=O)Cn2cc[nH+]c2)CC1 ZINC000673670202 545290695 /nfs/dbraw/zinc/29/06/95/545290695.db2.gz GMVIOJGIHLJSQP-UHFFFAOYSA-N 2 2 279.388 0.027 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)NC[C@H](C)[NH2+]C)CCO1 ZINC000418628330 529293263 /nfs/dbraw/zinc/29/32/63/529293263.db2.gz OUEARDFXDVCMBS-RYUDHWBXSA-N 2 2 272.393 0.004 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)NC[C@H](C)[NH2+]C)CCO1 ZINC000418628330 529293264 /nfs/dbraw/zinc/29/32/64/529293264.db2.gz OUEARDFXDVCMBS-RYUDHWBXSA-N 2 2 272.393 0.004 20 0 CCADLP CC(=O)NC(C)(C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000674000262 545298239 /nfs/dbraw/zinc/29/82/39/545298239.db2.gz GKNSZCYCBWNDTK-UHFFFAOYSA-N 2 2 298.431 0.043 20 0 CCADLP C[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000674000693 545298343 /nfs/dbraw/zinc/29/83/43/545298343.db2.gz UATTXQDXHURAPM-DGCLKSJQSA-N 2 2 253.390 0.785 20 0 CCADLP CC[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CC[N@@H+]1CCOC ZINC000493107853 529346844 /nfs/dbraw/zinc/34/68/44/529346844.db2.gz QQWVTLFZGOZHTP-MUBLQREKSA-N 2 2 292.383 0.992 20 0 CCADLP CC[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CC[N@H+]1CCOC ZINC000493107853 529346846 /nfs/dbraw/zinc/34/68/46/529346846.db2.gz QQWVTLFZGOZHTP-MUBLQREKSA-N 2 2 292.383 0.992 20 0 CCADLP COC[C@@H](C)[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000345203591 536548779 /nfs/dbraw/zinc/54/87/79/536548779.db2.gz JBWREBYELMRVOI-CQSZACIVSA-N 2 2 273.421 0.001 20 0 CCADLP Cn1cc[nH+]c1CN1CC[NH+]([C@H]2CCCOC2)CC1 ZINC000674303291 545304174 /nfs/dbraw/zinc/30/41/74/545304174.db2.gz VQRLJNDOHKRSHW-ZDUSSCGKSA-N 2 2 264.373 0.717 20 0 CCADLP Cc1c(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cnn1C ZINC000675964914 545333090 /nfs/dbraw/zinc/33/30/90/545333090.db2.gz IWVSBMJVBPBIPB-MRXNPFEDSA-N 2 2 291.443 0.940 20 0 CCADLP Cc1c(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cnn1C ZINC000675964914 545333091 /nfs/dbraw/zinc/33/30/91/545333091.db2.gz IWVSBMJVBPBIPB-MRXNPFEDSA-N 2 2 291.443 0.940 20 0 CCADLP O=C1NCCC[C@H]1[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000675967118 545333109 /nfs/dbraw/zinc/33/31/09/545333109.db2.gz BSKDSRYZKPLGQM-CYBMUJFWSA-N 2 2 260.341 0.482 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000676232949 545337276 /nfs/dbraw/zinc/33/72/76/545337276.db2.gz CCVZGJBDNIOBMW-JHJVBQTASA-N 2 2 295.387 0.290 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000676232949 545337277 /nfs/dbraw/zinc/33/72/77/545337277.db2.gz CCVZGJBDNIOBMW-JHJVBQTASA-N 2 2 295.387 0.290 20 0 CCADLP CC[N@@H+]1CCN(C(=O)C[NH+](C)[C@@H]2CCSC2)[C@H](C)C1 ZINC000341775237 535616202 /nfs/dbraw/zinc/61/62/02/535616202.db2.gz IIWYUZSHRPOYQH-CHWSQXEVSA-N 2 2 285.457 0.976 20 0 CCADLP CC[N@H+]1CCN(C(=O)C[NH+](C)[C@@H]2CCSC2)[C@H](C)C1 ZINC000341775237 535616205 /nfs/dbraw/zinc/61/62/05/535616205.db2.gz IIWYUZSHRPOYQH-CHWSQXEVSA-N 2 2 285.457 0.976 20 0 CCADLP CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)[C@H](C)C1 ZINC000341775237 535616208 /nfs/dbraw/zinc/61/62/08/535616208.db2.gz IIWYUZSHRPOYQH-CHWSQXEVSA-N 2 2 285.457 0.976 20 0 CCADLP CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)[C@H](C)C1 ZINC000341775237 535616212 /nfs/dbraw/zinc/61/62/12/535616212.db2.gz IIWYUZSHRPOYQH-CHWSQXEVSA-N 2 2 285.457 0.976 20 0 CCADLP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000676698395 545349216 /nfs/dbraw/zinc/34/92/16/545349216.db2.gz VXMLBRGSYJIIRV-STQMWFEESA-N 2 2 292.383 0.282 20 0 CCADLP CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000676698395 545349217 /nfs/dbraw/zinc/34/92/17/545349217.db2.gz VXMLBRGSYJIIRV-STQMWFEESA-N 2 2 292.383 0.282 20 0 CCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000346379530 535753776 /nfs/dbraw/zinc/75/37/76/535753776.db2.gz STLWNORVCAVQAZ-CQSZACIVSA-N 2 2 297.443 0.897 20 0 CCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000346379530 535753779 /nfs/dbraw/zinc/75/37/79/535753779.db2.gz STLWNORVCAVQAZ-CQSZACIVSA-N 2 2 297.443 0.897 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cn2cccc(F)c2n1 ZINC000677322383 545363782 /nfs/dbraw/zinc/36/37/82/545363782.db2.gz DOJUYZJQNQSEEL-CQSZACIVSA-N 2 2 280.347 0.876 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000677919749 545376810 /nfs/dbraw/zinc/37/68/10/545376810.db2.gz VAGAETYZFXWSEK-GXFFZTMASA-N 2 2 262.357 0.868 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000677919749 545376811 /nfs/dbraw/zinc/37/68/11/545376811.db2.gz VAGAETYZFXWSEK-GXFFZTMASA-N 2 2 262.357 0.868 20 0 CCADLP O[C@@H]1CCC[C@@H]1[NH+]1CCN(CCn2cc[nH+]c2)CC1 ZINC000677984250 545379894 /nfs/dbraw/zinc/37/98/94/545379894.db2.gz RINLBPFZIHUWPV-UONOGXRCSA-N 2 2 264.373 0.414 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+](C)CC(=O)N1CCCC1 ZINC000677982276 545380316 /nfs/dbraw/zinc/38/03/16/545380316.db2.gz LHYUXMQQONXQPK-UHFFFAOYSA-N 2 2 250.346 0.746 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+](C)CC(=O)N1CCCC1 ZINC000677982276 545380317 /nfs/dbraw/zinc/38/03/17/545380317.db2.gz LHYUXMQQONXQPK-UHFFFAOYSA-N 2 2 250.346 0.746 20 0 CCADLP CC(C)c1nc(N2C[C@@H]3C[NH2+]C[C@H]3C2)nc(N(C)C)[nH+]1 ZINC000678064233 545383080 /nfs/dbraw/zinc/38/30/80/545383080.db2.gz XJYGBRMDKNLCJS-QWRGUYRKSA-N 2 2 276.388 0.717 20 0 CCADLP CC(C)c1nc(N(C)C)nc(N2C[C@@H]3C[NH2+]C[C@H]3C2)[nH+]1 ZINC000678064233 545383081 /nfs/dbraw/zinc/38/30/81/545383081.db2.gz XJYGBRMDKNLCJS-QWRGUYRKSA-N 2 2 276.388 0.717 20 0 CCADLP C[C@H](CO)C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678080740 545383993 /nfs/dbraw/zinc/38/39/93/545383993.db2.gz HEZXXMDWBWTKPZ-AAEUAGOBSA-N 2 2 269.389 0.029 20 0 CCADLP C[C@H](CO)C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678080740 545383994 /nfs/dbraw/zinc/38/39/94/545383994.db2.gz HEZXXMDWBWTKPZ-AAEUAGOBSA-N 2 2 269.389 0.029 20 0 CCADLP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000372990816 536137056 /nfs/dbraw/zinc/13/70/56/536137056.db2.gz COOVDGAYQRCXRT-AWEZNQCLSA-N 3 2 282.432 0.177 20 0 CCADLP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000372990816 536137062 /nfs/dbraw/zinc/13/70/62/536137062.db2.gz COOVDGAYQRCXRT-AWEZNQCLSA-N 3 2 282.432 0.177 20 0 CCADLP Cc1ccncc1[C@@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000678541473 545394182 /nfs/dbraw/zinc/39/41/82/545394182.db2.gz DAKFKKYQAJVUDI-CYBMUJFWSA-N 2 2 276.384 0.815 20 0 CCADLP CC(C)(CO)[NH+]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000678887627 545399591 /nfs/dbraw/zinc/39/95/91/545399591.db2.gz XNAYZWZOOVDHOV-GASCZTMLSA-N 2 2 297.443 0.238 20 0 CCADLP CC(C)(CO)[NH+]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000678887627 545399592 /nfs/dbraw/zinc/39/95/92/545399592.db2.gz XNAYZWZOOVDHOV-GASCZTMLSA-N 2 2 297.443 0.238 20 0 CCADLP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC[C@@H]3[NH3+])cn2)CC1 ZINC000333283444 536421735 /nfs/dbraw/zinc/42/17/35/536421735.db2.gz MWDNFOPPUQZGGL-GJZGRUSLSA-N 3 2 289.427 0.803 20 0 CCADLP CN(CCCC[NH+](C)C)C(=O)[C@@H]1COCC[N@@H+]1C ZINC000679635188 545412899 /nfs/dbraw/zinc/41/28/99/545412899.db2.gz FWNGBHJBVQECJW-LBPRGKRZSA-N 2 2 257.378 0.117 20 0 CCADLP CN(CCCC[NH+](C)C)C(=O)[C@@H]1COCC[N@H+]1C ZINC000679635188 545412900 /nfs/dbraw/zinc/41/29/00/545412900.db2.gz FWNGBHJBVQECJW-LBPRGKRZSA-N 2 2 257.378 0.117 20 0 CCADLP COC[C@@H]([NH3+])C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000262398220 536671789 /nfs/dbraw/zinc/67/17/89/536671789.db2.gz ZLLLFBXZHXQQKK-GFCCVEGCSA-N 2 2 274.324 0.999 20 0 CCADLP Cc1csc([C@@H](C)[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)n1 ZINC000680417247 545427858 /nfs/dbraw/zinc/42/78/58/545427858.db2.gz MGPXNHAIQNQVOO-OLZOCXBDSA-N 2 2 298.456 0.710 20 0 CCADLP CC[N@@H+]1CCO[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000680582269 545432927 /nfs/dbraw/zinc/43/29/27/545432927.db2.gz VWBJGRJSXIJOQG-LBPRGKRZSA-N 2 2 292.383 0.598 20 0 CCADLP CC[N@H+]1CCO[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000680582269 545432928 /nfs/dbraw/zinc/43/29/28/545432928.db2.gz VWBJGRJSXIJOQG-LBPRGKRZSA-N 2 2 292.383 0.598 20 0 CCADLP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000681552027 545456120 /nfs/dbraw/zinc/45/61/20/545456120.db2.gz QTNGEOWNMVZXJD-NWDGAFQWSA-N 2 2 262.357 0.513 20 0 CCADLP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000681552027 545456121 /nfs/dbraw/zinc/45/61/21/545456121.db2.gz QTNGEOWNMVZXJD-NWDGAFQWSA-N 2 2 262.357 0.513 20 0 CCADLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC000681551541 545455727 /nfs/dbraw/zinc/45/57/27/545455727.db2.gz RHPARTDWUBNFFZ-RYUDHWBXSA-N 2 2 274.368 0.798 20 0 CCADLP C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[N@@H+]1CCO ZINC000681748003 545461183 /nfs/dbraw/zinc/46/11/83/545461183.db2.gz BLOJXCYWMXQROS-ZDUSSCGKSA-N 2 2 280.372 0.188 20 0 CCADLP C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[N@H+]1CCO ZINC000681748003 545461184 /nfs/dbraw/zinc/46/11/84/545461184.db2.gz BLOJXCYWMXQROS-ZDUSSCGKSA-N 2 2 280.372 0.188 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000681754248 545461747 /nfs/dbraw/zinc/46/17/47/545461747.db2.gz CVSCLBRFIRIBNC-NWDGAFQWSA-N 2 2 262.357 0.798 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000681754248 545461748 /nfs/dbraw/zinc/46/17/48/545461748.db2.gz CVSCLBRFIRIBNC-NWDGAFQWSA-N 2 2 262.357 0.798 20 0 CCADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[N@@H+]1CC(C)(C)O ZINC000682026431 545470291 /nfs/dbraw/zinc/47/02/91/545470291.db2.gz PRIFBTBBCCVTBY-LBPRGKRZSA-N 2 2 280.372 0.187 20 0 CCADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[N@H+]1CC(C)(C)O ZINC000682026431 545470292 /nfs/dbraw/zinc/47/02/92/545470292.db2.gz PRIFBTBBCCVTBY-LBPRGKRZSA-N 2 2 280.372 0.187 20 0 CCADLP C[C@@H]1C[C@H](C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CO1 ZINC000682223767 545475925 /nfs/dbraw/zinc/47/59/25/545475925.db2.gz HLYSCPRHRJPNSP-RDBSUJKOSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H]1C[C@H](C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CO1 ZINC000682223767 545475926 /nfs/dbraw/zinc/47/59/26/545475926.db2.gz HLYSCPRHRJPNSP-RDBSUJKOSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1C[N@H+](C)CCO1 ZINC000682513770 545481635 /nfs/dbraw/zinc/48/16/35/545481635.db2.gz CCADEUPJRPGBEY-XQQFMLRXSA-N 2 2 292.383 0.281 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000682513770 545481636 /nfs/dbraw/zinc/48/16/36/545481636.db2.gz CCADEUPJRPGBEY-XQQFMLRXSA-N 2 2 292.383 0.281 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)[C@@H](C)C[N@@H+]1C ZINC000682520814 545482149 /nfs/dbraw/zinc/48/21/49/545482149.db2.gz SMPCYLQZVDBHOY-AGIUHOORSA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)[C@@H](C)C[N@H+]1C ZINC000682520814 545482150 /nfs/dbraw/zinc/48/21/50/545482150.db2.gz SMPCYLQZVDBHOY-AGIUHOORSA-N 2 2 276.384 0.997 20 0 CCADLP Cn1ncc2c1nc(N1CCC[C@H](n3cc[nH+]c3)C1)[nH+]c2N ZINC000683456842 545524572 /nfs/dbraw/zinc/52/45/72/545524572.db2.gz CDFRHGRVGBGZBM-JTQLQIEISA-N 2 2 298.354 0.984 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC23CCOCC3)CC1 ZINC000683526338 545541639 /nfs/dbraw/zinc/54/16/39/545541639.db2.gz OADCXSLVUKTAGA-UHFFFAOYSA-N 2 2 267.373 0.015 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC23CCOCC3)CC1 ZINC000683526338 545541644 /nfs/dbraw/zinc/54/16/44/545541644.db2.gz OADCXSLVUKTAGA-UHFFFAOYSA-N 2 2 267.373 0.015 20 0 CCADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC000776102553 581180337 /nfs/dbraw/zinc/18/03/37/581180337.db2.gz OXILPSUHVVENFL-MNOVXSKESA-N 2 2 253.346 0.065 20 0 CCADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC000776102553 581180338 /nfs/dbraw/zinc/18/03/38/581180338.db2.gz OXILPSUHVVENFL-MNOVXSKESA-N 2 2 253.346 0.065 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000776102553 581180339 /nfs/dbraw/zinc/18/03/39/581180339.db2.gz OXILPSUHVVENFL-MNOVXSKESA-N 2 2 253.346 0.065 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000776102553 581180340 /nfs/dbraw/zinc/18/03/40/581180340.db2.gz OXILPSUHVVENFL-MNOVXSKESA-N 2 2 253.346 0.065 20 0 CCADLP C[C@H](CCO)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000779346084 581182129 /nfs/dbraw/zinc/18/21/29/581182129.db2.gz UFUOZRGSWLTROR-CHWSQXEVSA-N 2 2 271.405 0.290 20 0 CCADLP C[C@H](CCO)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000779346084 581182131 /nfs/dbraw/zinc/18/21/31/581182131.db2.gz UFUOZRGSWLTROR-CHWSQXEVSA-N 2 2 271.405 0.290 20 0 CCADLP O=C(CC[NH+]1CCOCC1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000777455682 581116353 /nfs/dbraw/zinc/11/63/53/581116353.db2.gz SDVZPEVCZGGWDQ-LBPRGKRZSA-N 2 2 278.356 0.796 20 0 CCADLP O=C(CC[NH+]1CCOCC1)NCCCCn1cc[nH+]c1 ZINC000725888106 581172928 /nfs/dbraw/zinc/17/29/28/581172928.db2.gz FXFRCKBJCLPMPD-UHFFFAOYSA-N 2 2 280.372 0.502 20 0 CCADLP CC[N@@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000727053648 581299075 /nfs/dbraw/zinc/29/90/75/581299075.db2.gz FOSTVFJBJQGLID-AWEZNQCLSA-N 2 2 298.431 0.350 20 0 CCADLP CC[N@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000727053648 581299076 /nfs/dbraw/zinc/29/90/76/581299076.db2.gz FOSTVFJBJQGLID-AWEZNQCLSA-N 2 2 298.431 0.350 20 0 CCADLP COC1CC[NH+](CN2C[C@H](c3c[nH+]cn3C)CC2=O)CC1 ZINC000783971690 581369272 /nfs/dbraw/zinc/36/92/72/581369272.db2.gz CZBPSTZFWMBHHQ-GFCCVEGCSA-N 2 2 292.383 0.804 20 0 CCADLP C[C@@H]1COCCC[N@@H+]1CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783996851 581370615 /nfs/dbraw/zinc/37/06/15/581370615.db2.gz SULSYBAZIATZTH-CHWSQXEVSA-N 2 2 292.383 0.804 20 0 CCADLP C[C@@H]1COCCC[N@H+]1CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783996851 581370616 /nfs/dbraw/zinc/37/06/16/581370616.db2.gz SULSYBAZIATZTH-CHWSQXEVSA-N 2 2 292.383 0.804 20 0 CCADLP C[C@H]1CN(C(=O)CCCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000795127764 581399419 /nfs/dbraw/zinc/39/94/19/581399419.db2.gz ROYLGEXAXOSSJX-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP C[C@H]1CN(C(=O)CCCC[NH+]2CCOCC2)CC[N@H+]1C ZINC000795127764 581399420 /nfs/dbraw/zinc/39/94/20/581399420.db2.gz ROYLGEXAXOSSJX-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CCO1 ZINC000795312347 581404007 /nfs/dbraw/zinc/40/40/07/581404007.db2.gz WSTXFHFGHBYQJJ-UKRRQHHQSA-N 2 2 281.400 0.261 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CCO1 ZINC000795312347 581404009 /nfs/dbraw/zinc/40/40/09/581404009.db2.gz WSTXFHFGHBYQJJ-UKRRQHHQSA-N 2 2 281.400 0.261 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)CCO1 ZINC000795312347 581404011 /nfs/dbraw/zinc/40/40/11/581404011.db2.gz WSTXFHFGHBYQJJ-UKRRQHHQSA-N 2 2 281.400 0.261 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)CCO1 ZINC000795312347 581404013 /nfs/dbraw/zinc/40/40/13/581404013.db2.gz WSTXFHFGHBYQJJ-UKRRQHHQSA-N 2 2 281.400 0.261 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH+]2CCCC2)C[C@]2(CCOC2)O1 ZINC000796560099 581443715 /nfs/dbraw/zinc/44/37/15/581443715.db2.gz MSEXGMKEVKFHQG-KFWWJZLASA-N 2 2 284.400 0.323 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+]2CCCC2)C[C@]2(CCOC2)O1 ZINC000796560099 581443717 /nfs/dbraw/zinc/44/37/17/581443717.db2.gz MSEXGMKEVKFHQG-KFWWJZLASA-N 2 2 284.400 0.323 20 0 CCADLP CC(C)([NH2+]C[C@H](O)C[NH+]1CCCC1)C(=O)N1CCCC1 ZINC000796592311 581445435 /nfs/dbraw/zinc/44/54/35/581445435.db2.gz JYSGEWGXBZIQSK-ZDUSSCGKSA-N 2 2 283.416 0.434 20 0 CCADLP OC[C@]1([NH2+]C[C@@H](O)C[NH+]2CCCC2)CCc2ccccc21 ZINC000766253573 581559739 /nfs/dbraw/zinc/55/97/39/581559739.db2.gz YEOICIHBYFUIBB-NVXWUHKLSA-N 2 2 290.407 0.867 20 0 CCADLP C[C@H]1COC(C)(C)C[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000753833561 581560359 /nfs/dbraw/zinc/56/03/59/581560359.db2.gz GGJVEGLHWKVZRP-QWHCGFSZSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@H]1COC(C)(C)C[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000753833561 581560362 /nfs/dbraw/zinc/56/03/62/581560362.db2.gz GGJVEGLHWKVZRP-QWHCGFSZSA-N 2 2 256.390 0.942 20 0 CCADLP C[N@@H+]1CCN(C(=O)CC[NH+]2CCOCC2)C(C)(C)C1 ZINC000767127897 581597666 /nfs/dbraw/zinc/59/76/66/581597666.db2.gz CMCANGDNIBWMKE-UHFFFAOYSA-N 2 2 269.389 0.261 20 0 CCADLP C[N@H+]1CCN(C(=O)CC[NH+]2CCOCC2)C(C)(C)C1 ZINC000767127897 581597667 /nfs/dbraw/zinc/59/76/67/581597667.db2.gz CMCANGDNIBWMKE-UHFFFAOYSA-N 2 2 269.389 0.261 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)N2CC[NH+](C3CC3)CC2)CCO1 ZINC000729606627 581606120 /nfs/dbraw/zinc/60/61/20/581606120.db2.gz RBEWSVYEHFCWFT-ZDUSSCGKSA-N 2 2 296.415 0.197 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)N2CC[NH+](C3CC3)CC2)CCO1 ZINC000729606627 581606124 /nfs/dbraw/zinc/60/61/24/581606124.db2.gz RBEWSVYEHFCWFT-ZDUSSCGKSA-N 2 2 296.415 0.197 20 0 CCADLP CC(C)C(=O)NCC[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000767776275 581630222 /nfs/dbraw/zinc/63/02/22/581630222.db2.gz QJLZQMIPROROMY-CYBMUJFWSA-N 2 2 271.405 0.147 20 0 CCADLP CC(C)C(=O)NCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000767776275 581630225 /nfs/dbraw/zinc/63/02/25/581630225.db2.gz QJLZQMIPROROMY-CYBMUJFWSA-N 2 2 271.405 0.147 20 0 CCADLP C[C@H]1C[N@H+](CCC2OCCO2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000767824057 581632531 /nfs/dbraw/zinc/63/25/31/581632531.db2.gz XWZSBHGPCCMNAI-GJZGRUSLSA-N 2 2 297.443 0.707 20 0 CCADLP C[C@H]1C[N@@H+](CCC2OCCO2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000767824057 581632532 /nfs/dbraw/zinc/63/25/32/581632532.db2.gz XWZSBHGPCCMNAI-GJZGRUSLSA-N 2 2 297.443 0.707 20 0 CCADLP CC[N@H+](CC(=O)N[C@H](Cn1cc[nH+]c1)C(=O)OC)C1CC1 ZINC000788153726 581738403 /nfs/dbraw/zinc/73/84/03/581738403.db2.gz HVFXVKWKCYYBAG-GFCCVEGCSA-N 2 2 294.355 0.025 20 0 CCADLP CC[N@@H+](CC(=O)N[C@H](Cn1cc[nH+]c1)C(=O)OC)C1CC1 ZINC000788153726 581738406 /nfs/dbraw/zinc/73/84/06/581738406.db2.gz HVFXVKWKCYYBAG-GFCCVEGCSA-N 2 2 294.355 0.025 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC000770415479 581742299 /nfs/dbraw/zinc/74/22/99/581742299.db2.gz DTRZWJZDUCKYRT-LBPRGKRZSA-N 2 2 287.367 0.310 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cccc2[nH+]ccn21 ZINC000770415479 581742303 /nfs/dbraw/zinc/74/23/03/581742303.db2.gz DTRZWJZDUCKYRT-LBPRGKRZSA-N 2 2 287.367 0.310 20 0 CCADLP Cc1noc(C)c1C[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000770466157 581746220 /nfs/dbraw/zinc/74/62/20/581746220.db2.gz OQRJSZPPJTYBHA-UHFFFAOYSA-N 2 2 294.399 0.887 20 0 CCADLP Cc1noc(C)c1C[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000770466157 581746223 /nfs/dbraw/zinc/74/62/23/581746223.db2.gz OQRJSZPPJTYBHA-UHFFFAOYSA-N 2 2 294.399 0.887 20 0 CCADLP Cc1nonc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000736683454 581815866 /nfs/dbraw/zinc/81/58/66/581815866.db2.gz UWALSTFWOZOTQR-NSHDSACASA-N 2 2 293.371 0.276 20 0 CCADLP Cc1nonc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000736683454 581815868 /nfs/dbraw/zinc/81/58/68/581815868.db2.gz UWALSTFWOZOTQR-NSHDSACASA-N 2 2 293.371 0.276 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000736946619 581870891 /nfs/dbraw/zinc/87/08/91/581870891.db2.gz RCEVHEGIDXYMTM-GRYCIOLGSA-N 2 2 296.333 0.831 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000736946619 581870894 /nfs/dbraw/zinc/87/08/94/581870894.db2.gz RCEVHEGIDXYMTM-GRYCIOLGSA-N 2 2 296.333 0.831 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ncccn1 ZINC000746021402 581893132 /nfs/dbraw/zinc/89/31/32/581893132.db2.gz AHCSNFZWLPXZJL-UHFFFAOYSA-N 2 2 291.399 0.575 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ncccn1 ZINC000746021402 581893134 /nfs/dbraw/zinc/89/31/34/581893134.db2.gz AHCSNFZWLPXZJL-UHFFFAOYSA-N 2 2 291.399 0.575 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)CC2CC2)CC[N@@H+]1C ZINC000773068525 581907602 /nfs/dbraw/zinc/90/76/02/581907602.db2.gz ZTMOCTFNZKRLLW-AAEUAGOBSA-N 2 2 274.430 0.884 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCS(=O)(=O)CC2CC2)CC[N@H+]1C ZINC000773068525 581907606 /nfs/dbraw/zinc/90/76/06/581907606.db2.gz ZTMOCTFNZKRLLW-AAEUAGOBSA-N 2 2 274.430 0.884 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000417038945 581910111 /nfs/dbraw/zinc/91/01/11/581910111.db2.gz UXASOUGOSKNPBS-FRRDWIJNSA-N 2 2 284.404 0.276 20 0 CCADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H]2CCOC2=O)C1 ZINC000746675772 581922105 /nfs/dbraw/zinc/92/21/05/581922105.db2.gz OWIQXJWYVWCRFF-CHWSQXEVSA-N 2 2 270.373 0.735 20 0 CCADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H]2CCOC2=O)C1 ZINC000746675772 581922107 /nfs/dbraw/zinc/92/21/07/581922107.db2.gz OWIQXJWYVWCRFF-CHWSQXEVSA-N 2 2 270.373 0.735 20 0 CCADLP CCOC(=O)[C@H]1C[N@H+](CCCn2cc[nH+]c2C)CCO1 ZINC000762925579 581972945 /nfs/dbraw/zinc/97/29/45/581972945.db2.gz IDBHOUTWPGIVNH-CYBMUJFWSA-N 2 2 281.356 0.846 20 0 CCADLP CCOC(=O)[C@H]1C[N@@H+](CCCn2cc[nH+]c2C)CCO1 ZINC000762925579 581972947 /nfs/dbraw/zinc/97/29/47/581972947.db2.gz IDBHOUTWPGIVNH-CYBMUJFWSA-N 2 2 281.356 0.846 20 0 CCADLP Cc1cc(N2CC[NH+](CC[S@](C)=O)CC2)cc[nH+]1 ZINC000775480551 582026381 /nfs/dbraw/zinc/02/63/81/582026381.db2.gz OPTSSBYYWFHWQF-SFHVURJKSA-N 2 2 267.398 0.891 20 0 CCADLP CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925770460 617183284 /nfs/dbraw/zinc/18/32/84/617183284.db2.gz UHHDFNWABPJXLI-IJLUTSLNSA-N 2 2 272.414 0.826 20 0 CCADLP CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000925772804 617183123 /nfs/dbraw/zinc/18/31/23/617183123.db2.gz URRORWXYZVROCM-KKOKHZNYSA-N 2 2 260.403 0.812 20 0 CCADLP CC(C)COC[C@H](O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000923399076 614168080 /nfs/dbraw/zinc/16/80/80/614168080.db2.gz NXMAGDSTTAZSJF-OLZOCXBDSA-N 2 2 256.390 0.894 20 0 CCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1[nH]nc2c1COCC2 ZINC000903718011 614182097 /nfs/dbraw/zinc/18/20/97/614182097.db2.gz XQPCGGPCSWCEIW-CYBMUJFWSA-N 2 2 252.362 0.945 20 0 CCADLP CC(C)C[C@@H]([NH3+])C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000906084001 614193534 /nfs/dbraw/zinc/19/35/34/614193534.db2.gz ZFLSUOGIVXOIMV-FRRDWIJNSA-N 2 2 271.405 0.585 20 0 CCADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000876960905 613191695 /nfs/dbraw/zinc/19/16/95/613191695.db2.gz PEAALAXWDYZNIX-IPKOWEFYSA-N 3 2 296.459 0.398 20 0 CCADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000876960905 613191697 /nfs/dbraw/zinc/19/16/97/613191697.db2.gz PEAALAXWDYZNIX-IPKOWEFYSA-N 3 2 296.459 0.398 20 0 CCADLP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903872268 613226053 /nfs/dbraw/zinc/22/60/53/613226053.db2.gz YDATYZWOQVVVQG-GXTWGEPZSA-N 3 2 251.374 0.193 20 0 CCADLP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903872268 613226054 /nfs/dbraw/zinc/22/60/54/613226054.db2.gz YDATYZWOQVVVQG-GXTWGEPZSA-N 3 2 251.374 0.193 20 0 CCADLP C([C@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+]1CCC[NH2+]CC1 ZINC000903713671 613227774 /nfs/dbraw/zinc/22/77/74/613227774.db2.gz ZFDUDZCLKIDVOR-CYBMUJFWSA-N 3 2 253.390 0.440 20 0 CCADLP C([C@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1CCC[NH2+]CC1 ZINC000903713671 613227776 /nfs/dbraw/zinc/22/77/76/613227776.db2.gz ZFDUDZCLKIDVOR-CYBMUJFWSA-N 3 2 253.390 0.440 20 0 CCADLP C1CC1[C@@H]([NH2+][C@@H]1COC[C@@H]1C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000902520442 613230606 /nfs/dbraw/zinc/23/06/06/613230606.db2.gz OQTZUBXFRYSJJM-APIJFGDWSA-N 2 2 266.385 0.768 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC[C@@H]([NH2+][C@H]2CCOC2)C1 ZINC000883369831 613231382 /nfs/dbraw/zinc/23/13/82/613231382.db2.gz AHPNCDWOCRUALU-CABCVRRESA-N 2 2 283.416 0.162 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC[C@H]([NH2+][C@@H]2CCSC2)C1 ZINC000883369009 613233378 /nfs/dbraw/zinc/23/33/78/613233378.db2.gz HJISQCVVVUPNLM-LSDHHAIUSA-N 2 2 299.484 0.878 20 0 CCADLP CC(=O)N1C[C@@H]2C[N@@H+](CC[NH2+]C(C)(C)C)C[C@@H]2C1 ZINC000903940064 613629001 /nfs/dbraw/zinc/62/90/01/613629001.db2.gz VGCJVXLUHFKEEX-BETUJISGSA-N 2 2 253.390 0.785 20 0 CCADLP CC(=O)N1C[C@@H]2C[N@H+](CC[NH2+]C(C)(C)C)C[C@@H]2C1 ZINC000903940064 613629004 /nfs/dbraw/zinc/62/90/04/613629004.db2.gz VGCJVXLUHFKEEX-BETUJISGSA-N 2 2 253.390 0.785 20 0 CCADLP CC(C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000960632630 613903319 /nfs/dbraw/zinc/90/33/19/613903319.db2.gz UDTOFIRUFZIYLG-RZFFKMDDSA-N 2 2 288.395 0.900 20 0 CCADLP CC(C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000960632630 613903322 /nfs/dbraw/zinc/90/33/22/613903322.db2.gz UDTOFIRUFZIYLG-RZFFKMDDSA-N 2 2 288.395 0.900 20 0 CCADLP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000904429214 613914878 /nfs/dbraw/zinc/91/48/78/613914878.db2.gz ZUMNBAGLCJIFLT-NWDGAFQWSA-N 2 2 291.461 0.750 20 0 CCADLP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000904429214 613914879 /nfs/dbraw/zinc/91/48/79/613914879.db2.gz ZUMNBAGLCJIFLT-NWDGAFQWSA-N 2 2 291.461 0.750 20 0 CCADLP CC(C)(C)[N@@H+]1CCCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000865047498 613923727 /nfs/dbraw/zinc/92/37/27/613923727.db2.gz ONBIJIKBNFQTDF-LBPRGKRZSA-N 2 2 280.372 0.776 20 0 CCADLP CC(C)(C)[N@H+]1CCCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000865047498 613923728 /nfs/dbraw/zinc/92/37/28/613923728.db2.gz ONBIJIKBNFQTDF-LBPRGKRZSA-N 2 2 280.372 0.776 20 0 CCADLP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579549 613925630 /nfs/dbraw/zinc/92/56/30/613925630.db2.gz NSPCKKPUZIOZSN-QWHCGFSZSA-N 2 2 268.405 0.720 20 0 CCADLP CC(C)NC(=O)NCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579549 613925632 /nfs/dbraw/zinc/92/56/32/613925632.db2.gz NSPCKKPUZIOZSN-QWHCGFSZSA-N 2 2 268.405 0.720 20 0 CCADLP CC(C)NC(=O)NCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879579549 613925635 /nfs/dbraw/zinc/92/56/35/613925635.db2.gz NSPCKKPUZIOZSN-QWHCGFSZSA-N 2 2 268.405 0.720 20 0 CCADLP CC(C)NC(=O)NCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879579549 613925636 /nfs/dbraw/zinc/92/56/36/613925636.db2.gz NSPCKKPUZIOZSN-QWHCGFSZSA-N 2 2 268.405 0.720 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000869225650 613942112 /nfs/dbraw/zinc/94/21/12/613942112.db2.gz MSLVKWDVPIZYCY-WSNITJDQSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000869225650 613942115 /nfs/dbraw/zinc/94/21/15/613942115.db2.gz MSLVKWDVPIZYCY-WSNITJDQSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)(C)[NH2+]CCC(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000827909709 613952865 /nfs/dbraw/zinc/95/28/65/613952865.db2.gz AJFACUKTORKIIP-LBPRGKRZSA-N 2 2 279.388 0.661 20 0 CCADLP CC(C)[NH2+][C@@H](C)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC000979398978 613965583 /nfs/dbraw/zinc/96/55/83/613965583.db2.gz DPPBOLKJFFIOSA-WCQYABFASA-N 2 2 280.372 0.566 20 0 CCADLP CC(C)[NH2+][C@H](C)[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC000979311943 613978507 /nfs/dbraw/zinc/97/85/07/613978507.db2.gz STHXDUKQBKELHS-TZMCWYRMSA-N 2 2 294.399 0.956 20 0 CCADLP CC(C)[NH2+][C@H](C)[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC000979311943 613978508 /nfs/dbraw/zinc/97/85/08/613978508.db2.gz STHXDUKQBKELHS-TZMCWYRMSA-N 2 2 294.399 0.956 20 0 CCADLP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000928565138 614076203 /nfs/dbraw/zinc/07/62/03/614076203.db2.gz KAPAOHRRYIALAI-KBXIAJHMSA-N 2 2 297.443 0.941 20 0 CCADLP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+]1C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000928565138 614076205 /nfs/dbraw/zinc/07/62/05/614076205.db2.gz KAPAOHRRYIALAI-KBXIAJHMSA-N 2 2 297.443 0.941 20 0 CCADLP CC(C)(CCC[NH3+])NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876860054 614082850 /nfs/dbraw/zinc/08/28/50/614082850.db2.gz RECMSZSEFYTTBT-HYXAFXHYSA-N 2 2 269.389 0.509 20 0 CCADLP CC(=O)N[C@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000917009792 614130413 /nfs/dbraw/zinc/13/04/13/614130413.db2.gz LIQBUPXRORPFII-KBPBESRZSA-N 2 2 269.389 0.044 20 0 CCADLP CC(=O)N[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000917009792 614130417 /nfs/dbraw/zinc/13/04/17/614130417.db2.gz LIQBUPXRORPFII-KBPBESRZSA-N 2 2 269.389 0.044 20 0 CCADLP CC(C)([NH3+])C[N@@H+]1CCc2c(CC(N)=O)cccc2C1 ZINC000873217655 614161767 /nfs/dbraw/zinc/16/17/67/614161767.db2.gz NRUNPVSFSLMNSD-UHFFFAOYSA-N 2 2 261.369 0.810 20 0 CCADLP CC(C)([NH3+])C[N@H+]1CCc2c(CC(N)=O)cccc2C1 ZINC000873217655 614161768 /nfs/dbraw/zinc/16/17/68/614161768.db2.gz NRUNPVSFSLMNSD-UHFFFAOYSA-N 2 2 261.369 0.810 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000911828095 614228066 /nfs/dbraw/zinc/22/80/66/614228066.db2.gz YZPQYKJURIUPGL-GMTAPVOTSA-N 2 2 250.346 0.623 20 0 CCADLP CC(C)[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cnn(C)c1 ZINC000886590387 614250404 /nfs/dbraw/zinc/25/04/04/614250404.db2.gz UKNSVCUPAIPXBO-UONOGXRCSA-N 2 2 266.389 0.773 20 0 CCADLP CC(C)[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cnn(C)c1 ZINC000886590387 614250406 /nfs/dbraw/zinc/25/04/06/614250406.db2.gz UKNSVCUPAIPXBO-UONOGXRCSA-N 2 2 266.389 0.773 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000821386527 614354465 /nfs/dbraw/zinc/35/44/65/614354465.db2.gz UBSZNDZCEDGKPV-YPMHNXCESA-N 2 2 262.357 0.797 20 0 CCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000821386527 614354466 /nfs/dbraw/zinc/35/44/66/614354466.db2.gz UBSZNDZCEDGKPV-YPMHNXCESA-N 2 2 262.357 0.797 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000865034188 614370849 /nfs/dbraw/zinc/37/08/49/614370849.db2.gz SPZWMLZYJTWNAW-JZIMQPMSSA-N 2 2 295.427 0.721 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000865034188 614370851 /nfs/dbraw/zinc/37/08/51/614370851.db2.gz SPZWMLZYJTWNAW-JZIMQPMSSA-N 2 2 295.427 0.721 20 0 CCADLP CC1CC(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000903744857 614411236 /nfs/dbraw/zinc/41/12/36/614411236.db2.gz XZCNWQNHNNRVHS-JXQTWKCFSA-N 2 2 265.401 0.929 20 0 CCADLP CC1CC(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000903744857 614411239 /nfs/dbraw/zinc/41/12/39/614411239.db2.gz XZCNWQNHNNRVHS-JXQTWKCFSA-N 2 2 265.401 0.929 20 0 CCADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1C[NH+](C[C@@H](C)O)C1 ZINC000950063689 614619115 /nfs/dbraw/zinc/61/91/15/614619115.db2.gz OCTIJLVPPSBJOX-HIFRSBDPSA-N 2 2 297.443 0.773 20 0 CCADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C1C[NH+](C[C@@H](C)O)C1 ZINC000950063689 614619116 /nfs/dbraw/zinc/61/91/16/614619116.db2.gz OCTIJLVPPSBJOX-HIFRSBDPSA-N 2 2 297.443 0.773 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CCO1 ZINC000876747161 614655169 /nfs/dbraw/zinc/65/51/69/614655169.db2.gz XMJOXSNZRFUDIH-NEPJUHHUSA-N 2 2 287.379 0.161 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CCO1 ZINC000876747161 614655172 /nfs/dbraw/zinc/65/51/72/614655172.db2.gz XMJOXSNZRFUDIH-NEPJUHHUSA-N 2 2 287.379 0.161 20 0 CCADLP CCN(C(=O)[C@H]1CCCC[N@@H+]1CC)C1C[NH+](C[C@H](C)O)C1 ZINC000957424358 614669458 /nfs/dbraw/zinc/66/94/58/614669458.db2.gz PPOGUFARAXOFLS-DZGCQCFKSA-N 2 2 297.443 0.774 20 0 CCADLP CCN(C(=O)[C@H]1CCCC[N@H+]1CC)C1C[NH+](C[C@H](C)O)C1 ZINC000957424358 614669462 /nfs/dbraw/zinc/66/94/62/614669462.db2.gz PPOGUFARAXOFLS-DZGCQCFKSA-N 2 2 297.443 0.774 20 0 CCADLP CC1(C)C[N@H+](C[C@H](O)COC2CCOCC2)C[C@@H]1[NH3+] ZINC000923430488 614673548 /nfs/dbraw/zinc/67/35/48/614673548.db2.gz LYJXDIAAVTUHAC-AAEUAGOBSA-N 2 2 272.389 0.212 20 0 CCADLP CC1(C)C[N@@H+](C[C@H](O)COC2CCOCC2)C[C@@H]1[NH3+] ZINC000923430488 614673550 /nfs/dbraw/zinc/67/35/50/614673550.db2.gz LYJXDIAAVTUHAC-AAEUAGOBSA-N 2 2 272.389 0.212 20 0 CCADLP CCC1(CC)CNC(=O)[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000933289520 614684186 /nfs/dbraw/zinc/68/41/86/614684186.db2.gz OHDUCWSTZZJUPB-NSHDSACASA-N 2 2 250.346 0.778 20 0 CCADLP CCC[NH+]1CCN(C(=O)/C=C(/C)C[NH+]2CCOCC2)CC1 ZINC000900555953 614684750 /nfs/dbraw/zinc/68/47/50/614684750.db2.gz NAAVDMAHHNYAGW-SQFISAMPSA-N 2 2 295.427 0.819 20 0 CCADLP CCN(C(=O)[C@H]1C[N@H+](C)C[C@H]1C)C1C[NH+](CCOC)C1 ZINC000951749846 614685174 /nfs/dbraw/zinc/68/51/74/614685174.db2.gz IWBVYGMIKAENPL-OCCSQVGLSA-N 2 2 283.416 0.363 20 0 CCADLP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@H]1C)C1C[NH+](CCOC)C1 ZINC000951749846 614685176 /nfs/dbraw/zinc/68/51/76/614685176.db2.gz IWBVYGMIKAENPL-OCCSQVGLSA-N 2 2 283.416 0.363 20 0 CCADLP CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962305236 614828822 /nfs/dbraw/zinc/82/88/22/614828822.db2.gz IKLPNVMNPWMZNP-IMRBUKKESA-N 2 2 262.357 0.419 20 0 CCADLP CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962305236 614828824 /nfs/dbraw/zinc/82/88/24/614828824.db2.gz IKLPNVMNPWMZNP-IMRBUKKESA-N 2 2 262.357 0.419 20 0 CCADLP CC(C)(CNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C)[NH+]1CCOCC1 ZINC000876709945 614848229 /nfs/dbraw/zinc/84/82/29/614848229.db2.gz BTKNZJYALSOJAZ-RYUDHWBXSA-N 2 2 283.416 0.587 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)OC)CC1 ZINC000852766007 614849699 /nfs/dbraw/zinc/84/96/99/614849699.db2.gz YSCZSBPCDAMBSG-GFCCVEGCSA-N 2 2 273.377 0.119 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)OC)CC1 ZINC000852766007 614849701 /nfs/dbraw/zinc/84/97/01/614849701.db2.gz YSCZSBPCDAMBSG-GFCCVEGCSA-N 2 2 273.377 0.119 20 0 CCADLP CCCNC(=O)C[NH+]1CCC(N[C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925541607 614851123 /nfs/dbraw/zinc/85/11/23/614851123.db2.gz CLZJUEYLOONEMZ-AWEZNQCLSA-N 2 2 296.459 0.707 20 0 CCADLP CC(C)(CNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C)[NH+]1CCOCC1 ZINC000876709944 614860403 /nfs/dbraw/zinc/86/04/03/614860403.db2.gz BTKNZJYALSOJAZ-NWDGAFQWSA-N 2 2 283.416 0.587 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000884363261 614861489 /nfs/dbraw/zinc/86/14/89/614861489.db2.gz ZFFZRSQMCXZMDI-GMTAPVOTSA-N 2 2 262.357 0.688 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880585412 614867941 /nfs/dbraw/zinc/86/79/41/614867941.db2.gz RPRWTDUCLVQXER-KGLIPLIRSA-N 2 2 286.416 0.162 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880585412 614867942 /nfs/dbraw/zinc/86/79/42/614867942.db2.gz RPRWTDUCLVQXER-KGLIPLIRSA-N 2 2 286.416 0.162 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880585412 614867945 /nfs/dbraw/zinc/86/79/45/614867945.db2.gz RPRWTDUCLVQXER-KGLIPLIRSA-N 2 2 286.416 0.162 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880585412 614867947 /nfs/dbraw/zinc/86/79/47/614867947.db2.gz RPRWTDUCLVQXER-KGLIPLIRSA-N 2 2 286.416 0.162 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000880223116 614868193 /nfs/dbraw/zinc/86/81/93/614868193.db2.gz SSKYJHUCRNNFDB-OAGGEKHMSA-N 2 2 278.396 0.939 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000880223116 614868194 /nfs/dbraw/zinc/86/81/94/614868194.db2.gz SSKYJHUCRNNFDB-OAGGEKHMSA-N 2 2 278.396 0.939 20 0 CCADLP CC1(C)[C@H]([NH2+][C@@H]2C[NH2+]CCOC2)[C@H]2CCCO[C@@H]21 ZINC000925515410 614869521 /nfs/dbraw/zinc/86/95/21/614869521.db2.gz IBIBYVIQYUKXOU-LPWJVIDDSA-N 2 2 254.374 0.768 20 0 CCADLP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC(N)=O)C2)ccn1 ZINC000856594613 614881031 /nfs/dbraw/zinc/88/10/31/614881031.db2.gz WIIMOYNCRKHLEG-CQSZACIVSA-N 2 2 292.383 0.472 20 0 CCADLP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC(N)=O)C2)ccn1 ZINC000856594613 614881032 /nfs/dbraw/zinc/88/10/32/614881032.db2.gz WIIMOYNCRKHLEG-CQSZACIVSA-N 2 2 292.383 0.472 20 0 CCADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC(N)=O)C2)ccn1 ZINC000856594613 614881033 /nfs/dbraw/zinc/88/10/33/614881033.db2.gz WIIMOYNCRKHLEG-CQSZACIVSA-N 2 2 292.383 0.472 20 0 CCADLP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC(N)=O)C2)ccn1 ZINC000856594613 614881034 /nfs/dbraw/zinc/88/10/34/614881034.db2.gz WIIMOYNCRKHLEG-CQSZACIVSA-N 2 2 292.383 0.472 20 0 CCADLP CC1([NH+]2CCC2)CC[NH+](C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC000931701138 614912494 /nfs/dbraw/zinc/91/24/94/614912494.db2.gz WZSFOKKIMRSMDE-GDBMZVCRSA-N 2 2 298.427 0.449 20 0 CCADLP CC1=CCC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000797823033 614969374 /nfs/dbraw/zinc/96/93/74/614969374.db2.gz JXYMJTIXGYOWKK-UHFFFAOYSA-N 2 2 292.383 0.612 20 0 CCADLP CC1=CCC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000797823033 614969378 /nfs/dbraw/zinc/96/93/78/614969378.db2.gz JXYMJTIXGYOWKK-UHFFFAOYSA-N 2 2 292.383 0.612 20 0 CCADLP CC1=NO[C@H](C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000827413473 614998669 /nfs/dbraw/zinc/99/86/69/614998669.db2.gz GYJXQBUIBZRVGZ-OCCSQVGLSA-N 2 2 294.399 0.436 20 0 CCADLP CC1=NO[C@H](C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000827413473 614998672 /nfs/dbraw/zinc/99/86/72/614998672.db2.gz GYJXQBUIBZRVGZ-OCCSQVGLSA-N 2 2 294.399 0.436 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000799123621 615002889 /nfs/dbraw/zinc/00/28/89/615002889.db2.gz DESYIBXQYIWHLK-NWDGAFQWSA-N 2 2 267.373 0.455 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000799123621 615002890 /nfs/dbraw/zinc/00/28/90/615002890.db2.gz DESYIBXQYIWHLK-NWDGAFQWSA-N 2 2 267.373 0.455 20 0 CCADLP CC[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000044293837 615077867 /nfs/dbraw/zinc/07/78/67/615077867.db2.gz ANIRURAVRVSATI-UHFFFAOYSA-N 2 2 261.369 0.940 20 0 CCADLP CC[NH2+]CCCNC(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000911687486 615085745 /nfs/dbraw/zinc/08/57/45/615085745.db2.gz GYGUTSDZAWOHNZ-KBPBESRZSA-N 2 2 285.432 0.992 20 0 CCADLP CC[NH2+]CCCNC(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000911687486 615085747 /nfs/dbraw/zinc/08/57/47/615085747.db2.gz GYGUTSDZAWOHNZ-KBPBESRZSA-N 2 2 285.432 0.992 20 0 CCADLP CC[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000910272197 615117971 /nfs/dbraw/zinc/11/79/71/615117971.db2.gz CUDMUQYZIANAPM-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP CC[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000910272197 615117972 /nfs/dbraw/zinc/11/79/72/615117972.db2.gz CUDMUQYZIANAPM-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP CC[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000910272198 615118053 /nfs/dbraw/zinc/11/80/53/615118053.db2.gz CUDMUQYZIANAPM-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP CC[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000910272198 615118054 /nfs/dbraw/zinc/11/80/54/615118054.db2.gz CUDMUQYZIANAPM-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP CCN1CCC[N@H+](C[C@@H]2CCCC[NH2+]C2)CC1=O ZINC000903755389 615121967 /nfs/dbraw/zinc/12/19/67/615121967.db2.gz GKXOALCTNPIVOS-CYBMUJFWSA-N 2 2 253.390 0.930 20 0 CCADLP CCN1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)CC1=O ZINC000903755389 615121969 /nfs/dbraw/zinc/12/19/69/615121969.db2.gz GKXOALCTNPIVOS-CYBMUJFWSA-N 2 2 253.390 0.930 20 0 CCADLP CC[NH2+][C@H](C)[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC000979356154 615131263 /nfs/dbraw/zinc/13/12/63/615131263.db2.gz YCOARRHYQXJCPC-CHWSQXEVSA-N 2 2 280.372 0.499 20 0 CCADLP CCOC(=O)/C=C\C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000930823854 615147298 /nfs/dbraw/zinc/14/72/98/615147298.db2.gz WRBJUNBUQNTYAU-PLNGDYQASA-N 2 2 282.384 0.902 20 0 CCADLP CCOC(=O)/C=C\C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000930823854 615147301 /nfs/dbraw/zinc/14/73/01/615147301.db2.gz WRBJUNBUQNTYAU-PLNGDYQASA-N 2 2 282.384 0.902 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCO[C@H](C)CC2)CC1 ZINC000932351263 615152215 /nfs/dbraw/zinc/15/22/15/615152215.db2.gz TXLMWBATICIRSO-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCO[C@H](C)CC2)CC1 ZINC000932351263 615152216 /nfs/dbraw/zinc/15/22/16/615152216.db2.gz TXLMWBATICIRSO-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)[C@H]2CC[C@@H]2OC)CC1 ZINC000934123640 615152316 /nfs/dbraw/zinc/15/23/16/615152316.db2.gz MEOGFQKFBVCPCV-IHRRRGAJSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)[C@H]2CC[C@@H]2OC)CC1 ZINC000934123640 615152317 /nfs/dbraw/zinc/15/23/17/615152317.db2.gz MEOGFQKFBVCPCV-IHRRRGAJSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925490849 615160265 /nfs/dbraw/zinc/16/02/65/615160265.db2.gz PDJYSOFXFUWODS-BZUAXINKSA-N 3 2 282.476 0.990 20 0 CCADLP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925547329 615162595 /nfs/dbraw/zinc/16/25/95/615162595.db2.gz NKCCRCWCJAHPGK-ILXRZTDVSA-N 3 2 268.449 0.743 20 0 CCADLP CCOC(=O)CCCC[N@@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000923473046 615172159 /nfs/dbraw/zinc/17/21/59/615172159.db2.gz OLJJPQVFBQOETE-ZDUSSCGKSA-N 2 2 258.362 0.505 20 0 CCADLP CCOC(=O)CCCC[N@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000923473046 615172160 /nfs/dbraw/zinc/17/21/60/615172160.db2.gz OLJJPQVFBQOETE-ZDUSSCGKSA-N 2 2 258.362 0.505 20 0 CCADLP CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000972572437 615190739 /nfs/dbraw/zinc/19/07/39/615190739.db2.gz JVQQBMQAWLIRBI-CQSZACIVSA-N 2 2 278.356 0.275 20 0 CCADLP CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000972572437 615190740 /nfs/dbraw/zinc/19/07/40/615190740.db2.gz JVQQBMQAWLIRBI-CQSZACIVSA-N 2 2 278.356 0.275 20 0 CCADLP CCOC(=O)N1CC[C@H]([NH2+][C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925644211 615234441 /nfs/dbraw/zinc/23/44/41/615234441.db2.gz ZEYHKDFMEDWNNG-WDEREUQCSA-N 2 2 255.362 0.947 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876718112 615253616 /nfs/dbraw/zinc/25/36/16/615253616.db2.gz LIEJIKXZUWGAIH-STQMWFEESA-N 2 2 287.379 0.115 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000882495002 615322685 /nfs/dbraw/zinc/32/26/85/615322685.db2.gz VOZKYERUBRQEEE-QJPTWQEYSA-N 2 2 262.357 0.734 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000882495002 615322688 /nfs/dbraw/zinc/32/26/88/615322688.db2.gz VOZKYERUBRQEEE-QJPTWQEYSA-N 2 2 262.357 0.734 20 0 CCADLP CC[C@@H](C(=O)N1CC[NH+](CCn2cccn2)CC1)[NH+](C)C ZINC000950551734 615371988 /nfs/dbraw/zinc/37/19/88/615371988.db2.gz BIZOPVOSEHASHX-AWEZNQCLSA-N 2 2 293.415 0.368 20 0 CCADLP CC[C@@H](C(=O)NC1CC[NH2+]CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911628955 615379912 /nfs/dbraw/zinc/37/99/12/615379912.db2.gz QVKJASMSBNWVPD-KGLIPLIRSA-N 2 2 283.416 0.744 20 0 CCADLP CC[C@@H](C(=O)NC1CC[NH2+]CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000911628955 615379914 /nfs/dbraw/zinc/37/99/14/615379914.db2.gz QVKJASMSBNWVPD-KGLIPLIRSA-N 2 2 283.416 0.744 20 0 CCADLP CCO[C@H](CNc1cc(NC[C@H](C)O)[nH+]cn1)C[NH+](C)C ZINC000896118920 615484579 /nfs/dbraw/zinc/48/45/79/615484579.db2.gz XZGUZBPKOUTNHC-NWDGAFQWSA-N 2 2 297.403 0.648 20 0 CCADLP CCO[C@H](CNc1cc(NC[C@H](C)O)nc[nH+]1)C[NH+](C)C ZINC000896118920 615484580 /nfs/dbraw/zinc/48/45/80/615484580.db2.gz XZGUZBPKOUTNHC-NWDGAFQWSA-N 2 2 297.403 0.648 20 0 CCADLP CC[C@@H](CO)[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000931650061 615488342 /nfs/dbraw/zinc/48/83/42/615488342.db2.gz FIVIMRAMGXLNMK-KGLIPLIRSA-N 2 2 256.390 0.990 20 0 CCADLP CC[C@@H](CO)[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000931650061 615488344 /nfs/dbraw/zinc/48/83/44/615488344.db2.gz FIVIMRAMGXLNMK-KGLIPLIRSA-N 2 2 256.390 0.990 20 0 CCADLP CC[C@H](C(=O)N1CC[N@H+](C)C[C@H]1CO)[NH+](CC)CC ZINC000912744575 615601410 /nfs/dbraw/zinc/60/14/10/615601410.db2.gz XCZOHRKVZYZYLO-QWHCGFSZSA-N 2 2 271.405 0.242 20 0 CCADLP CC[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1CO)[NH+](CC)CC ZINC000912744575 615601411 /nfs/dbraw/zinc/60/14/11/615601411.db2.gz XCZOHRKVZYZYLO-QWHCGFSZSA-N 2 2 271.405 0.242 20 0 CCADLP CCc1cc(C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)[nH]n1 ZINC000817893778 615651032 /nfs/dbraw/zinc/65/10/32/615651032.db2.gz VPISPPREUJTTOS-GXFFZTMASA-N 2 2 252.362 0.829 20 0 CCADLP CCn1nc(C)c([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)n1 ZINC000924963809 615668173 /nfs/dbraw/zinc/66/81/73/615668173.db2.gz GTCRHJLCZSDZEW-CHWSQXEVSA-N 2 2 294.447 0.893 20 0 CCADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000905123786 615711288 /nfs/dbraw/zinc/71/12/88/615711288.db2.gz ZUKMNGXETFKYOH-RBSFLKMASA-N 2 2 286.416 0.353 20 0 CCADLP CCc1nc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)cc(C)[nH+]1 ZINC000872757781 615737837 /nfs/dbraw/zinc/73/78/37/615737837.db2.gz KVXXQFASXHORFL-QWHCGFSZSA-N 2 2 276.384 0.993 20 0 CCADLP CCc1nc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)cc(C)[nH+]1 ZINC000872757781 615737838 /nfs/dbraw/zinc/73/78/38/615737838.db2.gz KVXXQFASXHORFL-QWHCGFSZSA-N 2 2 276.384 0.993 20 0 CCADLP CN(C(=O)NCC[NH+]1CCC([NH3+])CC1)C1CCCC1 ZINC000903565248 615834402 /nfs/dbraw/zinc/83/44/02/615834402.db2.gz HRNAGFFEJPWNKK-UHFFFAOYSA-N 2 2 268.405 0.994 20 0 CCADLP C[NH+](C)C1(CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000922987692 615847960 /nfs/dbraw/zinc/84/79/60/615847960.db2.gz HWIBGJSXEODLOA-ZDUSSCGKSA-N 2 2 296.415 0.197 20 0 CCADLP Cn1ncc2c1nc[nH+]c2N1CCC(O)(C[NH+](C)C)CC1 ZINC000894956498 615872768 /nfs/dbraw/zinc/87/27/68/615872768.db2.gz RDWGCFQWYZFEHC-UHFFFAOYSA-N 2 2 290.371 0.256 20 0 CCADLP CC[C@H]1C(=O)NCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000933229435 615873512 /nfs/dbraw/zinc/87/35/12/615873512.db2.gz LWKNPCFSARVTTC-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP CC[C@H]1C(=O)NCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000933229435 615873513 /nfs/dbraw/zinc/87/35/13/615873513.db2.gz LWKNPCFSARVTTC-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000852846138 615878780 /nfs/dbraw/zinc/87/87/80/615878780.db2.gz CTAMNAPYSHQHGZ-ZDUSSCGKSA-N 3 2 270.421 0.114 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000852846138 615878783 /nfs/dbraw/zinc/87/87/83/615878783.db2.gz CTAMNAPYSHQHGZ-ZDUSSCGKSA-N 3 2 270.421 0.114 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(C2CC2)n[nH]1 ZINC000855416356 615879195 /nfs/dbraw/zinc/87/91/95/615879195.db2.gz MFUJEQKEUVZFIS-UHFFFAOYSA-N 2 2 293.415 0.900 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(C2CC2)n[nH]1 ZINC000855416356 615879196 /nfs/dbraw/zinc/87/91/96/615879196.db2.gz MFUJEQKEUVZFIS-UHFFFAOYSA-N 2 2 293.415 0.900 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CC[NH+]1C(C)(C)C ZINC000898669494 615879297 /nfs/dbraw/zinc/87/92/97/615879297.db2.gz PJJMCXCPUWNEKU-CQSZACIVSA-N 3 2 298.475 0.859 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CC[NH+]1C(C)(C)C ZINC000898669494 615879299 /nfs/dbraw/zinc/87/92/99/615879299.db2.gz PJJMCXCPUWNEKU-CQSZACIVSA-N 3 2 298.475 0.859 20 0 CCADLP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000898669494 615879301 /nfs/dbraw/zinc/87/93/01/615879301.db2.gz PJJMCXCPUWNEKU-CQSZACIVSA-N 3 2 298.475 0.859 20 0 CCADLP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000898669494 615879303 /nfs/dbraw/zinc/87/93/03/615879303.db2.gz PJJMCXCPUWNEKU-CQSZACIVSA-N 3 2 298.475 0.859 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876961792 615879638 /nfs/dbraw/zinc/87/96/38/615879638.db2.gz XFBISOYNZYGPRH-CHWSQXEVSA-N 3 2 284.448 0.360 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876961792 615879640 /nfs/dbraw/zinc/87/96/40/615879640.db2.gz XFBISOYNZYGPRH-CHWSQXEVSA-N 3 2 284.448 0.360 20 0 CCADLP C[NH+](C)CCC[C@@H]1C[N@H+](CCN2CCOC2=O)CCO1 ZINC000852761406 615887826 /nfs/dbraw/zinc/88/78/26/615887826.db2.gz VRXNTYDVFGMOLD-CYBMUJFWSA-N 2 2 285.388 0.481 20 0 CCADLP C[NH+](C)CCC[C@@H]1C[N@@H+](CCN2CCOC2=O)CCO1 ZINC000852761406 615887827 /nfs/dbraw/zinc/88/78/27/615887827.db2.gz VRXNTYDVFGMOLD-CYBMUJFWSA-N 2 2 285.388 0.481 20 0 CCADLP CC[C@H]1C[N@H+](CC(=O)NCc2ccccn2)CC[C@H]1[NH3+] ZINC000844222838 615912383 /nfs/dbraw/zinc/91/23/83/615912383.db2.gz MGQWSBMYTNOLNE-GXTWGEPZSA-N 2 2 276.384 0.757 20 0 CCADLP CC[C@H]1C[N@@H+](CC(=O)NCc2ccccn2)CC[C@H]1[NH3+] ZINC000844222838 615912386 /nfs/dbraw/zinc/91/23/86/615912386.db2.gz MGQWSBMYTNOLNE-GXTWGEPZSA-N 2 2 276.384 0.757 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@H](C)[NH+](C)C ZINC000875645207 615924972 /nfs/dbraw/zinc/92/49/72/615924972.db2.gz TTYWQKSYXJMWHP-STQMWFEESA-N 2 2 286.420 0.347 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NC[C@H](C)[NH+](C)C ZINC000875645207 615924974 /nfs/dbraw/zinc/92/49/74/615924974.db2.gz TTYWQKSYXJMWHP-STQMWFEESA-N 2 2 286.420 0.347 20 0 CCADLP CN(C)S(=O)(=O)CC[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874125 615963808 /nfs/dbraw/zinc/96/38/08/615963808.db2.gz HBVBIXNOIVADCZ-CYBMUJFWSA-N 2 2 289.445 0.343 20 0 CCADLP CN(C)S(=O)(=O)CC[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874125 615963810 /nfs/dbraw/zinc/96/38/10/615963810.db2.gz HBVBIXNOIVADCZ-CYBMUJFWSA-N 2 2 289.445 0.343 20 0 CCADLP C[NH+](C)[C@@]1(C[NH2+]C[C@@H](O)C2(O)CCCC2)CCSC1 ZINC000905147561 615987236 /nfs/dbraw/zinc/98/72/36/615987236.db2.gz KTBUUBUJAOJAPR-CHWSQXEVSA-N 2 2 288.457 0.679 20 0 CCADLP C[NH+](C)[C@@]1(C[NH2+]C[C@H](O)CC(C)(C)O)CCSC1 ZINC000872202245 615987345 /nfs/dbraw/zinc/98/73/45/615987345.db2.gz DRCXSTDCPISKJF-DGCLKSJQSA-N 2 2 276.446 0.535 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H]3CCC4(COC4)O3)C[C@H]21 ZINC000931277385 615997913 /nfs/dbraw/zinc/99/79/13/615997913.db2.gz OWRVCZPIERYKSE-NDBYEHHHSA-N 2 2 252.358 0.426 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCC4(COC4)O3)C[C@H]21 ZINC000931277385 615997914 /nfs/dbraw/zinc/99/79/14/615997914.db2.gz OWRVCZPIERYKSE-NDBYEHHHSA-N 2 2 252.358 0.426 20 0 CCADLP CN(C)c1cc(Cn2cnc3c(c2=O)CC[NH2+]CC3)cc[nH+]1 ZINC000830512425 616006266 /nfs/dbraw/zinc/00/62/66/616006266.db2.gz CUPFEGCUJCJWEB-UHFFFAOYSA-N 2 2 299.378 0.441 20 0 CCADLP CN(C)c1cc(N2CC[C@H](N3CC[NH2+]CC3)C2)nc[nH+]1 ZINC000905636428 616008332 /nfs/dbraw/zinc/00/83/32/616008332.db2.gz VYPKFPZJGVHWCG-LBPRGKRZSA-N 2 2 276.388 0.027 20 0 CCADLP CN(C)c1ncc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cn1 ZINC000904421075 616035732 /nfs/dbraw/zinc/03/57/32/616035732.db2.gz NTBRWZFTBYYNIQ-QWHCGFSZSA-N 2 2 261.373 0.584 20 0 CCADLP CN(C)c1ncc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cn1 ZINC000904421075 616035733 /nfs/dbraw/zinc/03/57/33/616035733.db2.gz NTBRWZFTBYYNIQ-QWHCGFSZSA-N 2 2 261.373 0.584 20 0 CCADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)C[N@H+](C)C1CCC1 ZINC000898890675 616048973 /nfs/dbraw/zinc/04/89/73/616048973.db2.gz AQEBVHHMEHUMNW-LLVKDONJSA-N 2 2 266.345 0.054 20 0 CCADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)C[N@@H+](C)C1CCC1 ZINC000898890675 616048974 /nfs/dbraw/zinc/04/89/74/616048974.db2.gz AQEBVHHMEHUMNW-LLVKDONJSA-N 2 2 266.345 0.054 20 0 CCADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923325895 616059484 /nfs/dbraw/zinc/05/94/84/616059484.db2.gz GQGRILVPXXMQMU-AJNGGQMLSA-N 3 2 267.417 0.501 20 0 CCADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923325895 616059485 /nfs/dbraw/zinc/05/94/85/616059485.db2.gz GQGRILVPXXMQMU-AJNGGQMLSA-N 3 2 267.417 0.501 20 0 CCADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923325895 616059486 /nfs/dbraw/zinc/05/94/86/616059486.db2.gz GQGRILVPXXMQMU-AJNGGQMLSA-N 3 2 267.417 0.501 20 0 CCADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923325895 616059487 /nfs/dbraw/zinc/05/94/87/616059487.db2.gz GQGRILVPXXMQMU-AJNGGQMLSA-N 3 2 267.417 0.501 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+](CCO[C@H]2CCOC2)CC1 ZINC000929656854 616075740 /nfs/dbraw/zinc/07/57/40/616075740.db2.gz JGQJIOIFWMMCLM-HNNXBMFYSA-N 2 2 286.416 0.571 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+](CCO[C@H]2CCOC2)CC1 ZINC000929656854 616075741 /nfs/dbraw/zinc/07/57/41/616075741.db2.gz JGQJIOIFWMMCLM-HNNXBMFYSA-N 2 2 286.416 0.571 20 0 CCADLP C[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C[C@@H]1COCCO1 ZINC000903933228 616098407 /nfs/dbraw/zinc/09/84/07/616098407.db2.gz MOZXMGJTXWLXLY-GXTWGEPZSA-N 2 2 295.387 0.050 20 0 CCADLP C[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C[C@@H]1COCCO1 ZINC000903933228 616098408 /nfs/dbraw/zinc/09/84/08/616098408.db2.gz MOZXMGJTXWLXLY-GXTWGEPZSA-N 2 2 295.387 0.050 20 0 CCADLP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000866115137 616122663 /nfs/dbraw/zinc/12/26/63/616122663.db2.gz PARZVDAYYGFEIW-DGCLKSJQSA-N 2 2 280.372 0.776 20 0 CCADLP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000866115137 616122664 /nfs/dbraw/zinc/12/26/64/616122664.db2.gz PARZVDAYYGFEIW-DGCLKSJQSA-N 2 2 280.372 0.776 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc2nonc2c1)C1CC1 ZINC000905667779 616131871 /nfs/dbraw/zinc/13/18/71/616131871.db2.gz DGLUOCGOODLJQH-LBPRGKRZSA-N 2 2 276.340 0.768 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc2nonc2c1)C1CC1 ZINC000905667779 616131872 /nfs/dbraw/zinc/13/18/72/616131872.db2.gz DGLUOCGOODLJQH-LBPRGKRZSA-N 2 2 276.340 0.768 20 0 CCADLP CN(CC1CC[NH+](C)CC1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865168434 616169035 /nfs/dbraw/zinc/16/90/35/616169035.db2.gz WEYORRYJSVCOGK-GFCCVEGCSA-N 2 2 266.345 0.243 20 0 CCADLP C[NH+]1CCC(NC(=S)N2CCn3c[nH+]cc3C2)CC1 ZINC000811712103 616174086 /nfs/dbraw/zinc/17/40/86/616174086.db2.gz HTFUHJHTLURWGG-UHFFFAOYSA-N 2 2 279.413 0.667 20 0 CCADLP C[NH+]1CCC2(CCCN2C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000867144624 616177444 /nfs/dbraw/zinc/17/74/44/616177444.db2.gz KNEVKASTFRFMOS-GFCCVEGCSA-N 2 2 278.356 0.530 20 0 CCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H](O)c3c[nH+]c[nH]3)CC[C@@H]21 ZINC000866708833 616197734 /nfs/dbraw/zinc/19/77/34/616197734.db2.gz HOLSVBRIACUPLR-WXHSDQCUSA-N 2 2 278.356 0.386 20 0 CCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H](O)c3c[nH+]c[nH]3)CC[C@@H]21 ZINC000866708833 616197735 /nfs/dbraw/zinc/19/77/35/616197735.db2.gz HOLSVBRIACUPLR-WXHSDQCUSA-N 2 2 278.356 0.386 20 0 CCADLP C[N@@H+]1CCC[C@H](NC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000865184228 616206588 /nfs/dbraw/zinc/20/65/88/616206588.db2.gz PSTFMDZUNNCPSX-DXTPNHAXSA-N 2 2 267.373 0.085 20 0 CCADLP C[N@H+]1CCC[C@H](NC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000865184228 616206589 /nfs/dbraw/zinc/20/65/89/616206589.db2.gz PSTFMDZUNNCPSX-DXTPNHAXSA-N 2 2 267.373 0.085 20 0 CCADLP C[N@@H+]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1CO ZINC000913556158 616220660 /nfs/dbraw/zinc/22/06/60/616220660.db2.gz RXNMNRNMZAPHPC-CYBMUJFWSA-N 2 2 283.416 0.386 20 0 CCADLP C[N@H+]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1CO ZINC000913556158 616220661 /nfs/dbraw/zinc/22/06/61/616220661.db2.gz RXNMNRNMZAPHPC-CYBMUJFWSA-N 2 2 283.416 0.386 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1C[C@@]12CCOC2 ZINC000886307302 616223235 /nfs/dbraw/zinc/22/32/35/616223235.db2.gz OUHUGSREIAGTQK-DZGCQCFKSA-N 2 2 281.400 0.119 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1C[C@@]12CCOC2 ZINC000886307302 616223236 /nfs/dbraw/zinc/22/32/36/616223236.db2.gz OUHUGSREIAGTQK-DZGCQCFKSA-N 2 2 281.400 0.119 20 0 CCADLP C[N@H+](CC[C@@H]1COC(C)(C)O1)CC(=O)N1CC[NH+](C)CC1 ZINC000879355582 616223246 /nfs/dbraw/zinc/22/32/46/616223246.db2.gz FZTXGFWQLYTFDR-CYBMUJFWSA-N 2 2 299.415 0.234 20 0 CCADLP C[N@@H+](CC[C@@H]1COC(C)(C)O1)CC(=O)N1CC[NH+](C)CC1 ZINC000879355582 616223247 /nfs/dbraw/zinc/22/32/47/616223247.db2.gz FZTXGFWQLYTFDR-CYBMUJFWSA-N 2 2 299.415 0.234 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]C2C[C@H]3CCC[C@@H]3C2)CC1 ZINC000902777217 616223481 /nfs/dbraw/zinc/22/34/81/616223481.db2.gz UICJBJIKXAOTCQ-CHWSQXEVSA-N 2 2 265.401 0.929 20 0 CCADLP C[NH+]1CCN(C2CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC2)CC1 ZINC000877252047 616238913 /nfs/dbraw/zinc/23/89/13/616238913.db2.gz YNPYZMXVWHYQSU-CQSZACIVSA-N 2 2 296.459 0.598 20 0 CCADLP C[N@H+](Cc1ccon1)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000980392297 616265339 /nfs/dbraw/zinc/26/53/39/616265339.db2.gz WNOZIMDIMOYNFM-OCCSQVGLSA-N 2 2 292.383 0.659 20 0 CCADLP C[N@@H+](Cc1ccon1)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000980392297 616265340 /nfs/dbraw/zinc/26/53/40/616265340.db2.gz WNOZIMDIMOYNFM-OCCSQVGLSA-N 2 2 292.383 0.659 20 0 CCADLP C[NH+](Cc1ccon1)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000980392297 616265341 /nfs/dbraw/zinc/26/53/41/616265341.db2.gz WNOZIMDIMOYNFM-OCCSQVGLSA-N 2 2 292.383 0.659 20 0 CCADLP C[NH+](Cc1ccon1)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000980392297 616265342 /nfs/dbraw/zinc/26/53/42/616265342.db2.gz WNOZIMDIMOYNFM-OCCSQVGLSA-N 2 2 292.383 0.659 20 0 CCADLP COC(=O)c1occc1C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931486988 616281359 /nfs/dbraw/zinc/28/13/59/616281359.db2.gz OSCSAUARKSFZJX-UHFFFAOYSA-N 2 2 296.367 0.955 20 0 CCADLP COC(=O)/C(C)=C/C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000905532368 616291680 /nfs/dbraw/zinc/29/16/80/616291680.db2.gz QQLBOYIIPYASLN-JXPAYYINSA-N 2 2 256.346 0.150 20 0 CCADLP COC(=O)/C(C)=C/C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000905532368 616291681 /nfs/dbraw/zinc/29/16/81/616291681.db2.gz QQLBOYIIPYASLN-JXPAYYINSA-N 2 2 256.346 0.150 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@@H]2C1 ZINC000812320545 616323754 /nfs/dbraw/zinc/32/37/54/616323754.db2.gz GLILDODCPLGYHY-MCIONIFRSA-N 2 2 288.395 0.856 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@@H]2C1 ZINC000812320545 616323756 /nfs/dbraw/zinc/32/37/56/616323756.db2.gz GLILDODCPLGYHY-MCIONIFRSA-N 2 2 288.395 0.856 20 0 CCADLP C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000913533897 616367295 /nfs/dbraw/zinc/36/72/95/616367295.db2.gz DBSMQXNXEYEPGB-BNOWGMLFSA-N 2 2 274.368 0.751 20 0 CCADLP C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000913533897 616367298 /nfs/dbraw/zinc/36/72/98/616367298.db2.gz DBSMQXNXEYEPGB-BNOWGMLFSA-N 2 2 274.368 0.751 20 0 CCADLP C[N@@H+]1C[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC000887927783 616378260 /nfs/dbraw/zinc/37/82/60/616378260.db2.gz IXRKVWNZTSSXLI-RISCZKNCSA-N 2 2 262.357 0.752 20 0 CCADLP C[N@H+]1C[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@]2(C)C1 ZINC000887927783 616378262 /nfs/dbraw/zinc/37/82/62/616378262.db2.gz IXRKVWNZTSSXLI-RISCZKNCSA-N 2 2 262.357 0.752 20 0 CCADLP C[N@@H+]1C[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC000887927783 616378265 /nfs/dbraw/zinc/37/82/65/616378265.db2.gz IXRKVWNZTSSXLI-RISCZKNCSA-N 2 2 262.357 0.752 20 0 CCADLP C[N@H+]1C[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC000887927783 616378266 /nfs/dbraw/zinc/37/82/66/616378266.db2.gz IXRKVWNZTSSXLI-RISCZKNCSA-N 2 2 262.357 0.752 20 0 CCADLP C[N@@H+]1C[C@@H]2C[NH+](CCN3CCCC3=O)C[C@]2(C)C1 ZINC000933742276 616382493 /nfs/dbraw/zinc/38/24/93/616382493.db2.gz OSYMOHDTHVZEMF-OCCSQVGLSA-N 2 2 251.374 0.492 20 0 CCADLP C[N@H+]1C[C@@H]2C[NH+](CCN3CCCC3=O)C[C@]2(C)C1 ZINC000933742276 616382497 /nfs/dbraw/zinc/38/24/97/616382497.db2.gz OSYMOHDTHVZEMF-OCCSQVGLSA-N 2 2 251.374 0.492 20 0 CCADLP C[NH+]1C[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@]2(C)C1 ZINC000933742276 616382501 /nfs/dbraw/zinc/38/25/01/616382501.db2.gz OSYMOHDTHVZEMF-OCCSQVGLSA-N 2 2 251.374 0.492 20 0 CCADLP C[NH+]1C[C@@H]2C[N@@H+](CCN3CCCC3=O)C[C@]2(C)C1 ZINC000933742276 616382504 /nfs/dbraw/zinc/38/25/04/616382504.db2.gz OSYMOHDTHVZEMF-OCCSQVGLSA-N 2 2 251.374 0.492 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000944102158 616392690 /nfs/dbraw/zinc/39/26/90/616392690.db2.gz YCMUJMSBQQIJNQ-TZMCWYRMSA-N 2 2 294.399 0.436 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000944102158 616392693 /nfs/dbraw/zinc/39/26/93/616392693.db2.gz YCMUJMSBQQIJNQ-TZMCWYRMSA-N 2 2 294.399 0.436 20 0 CCADLP C[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000864077800 616393186 /nfs/dbraw/zinc/39/31/86/616393186.db2.gz RENODIYAMFIHAV-OKILXGFUSA-N 2 2 262.357 0.752 20 0 CCADLP C[N@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000864077800 616393192 /nfs/dbraw/zinc/39/31/92/616393192.db2.gz RENODIYAMFIHAV-OKILXGFUSA-N 2 2 262.357 0.752 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000944102157 616416245 /nfs/dbraw/zinc/41/62/45/616416245.db2.gz YCMUJMSBQQIJNQ-OCCSQVGLSA-N 2 2 294.399 0.436 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000944102157 616416246 /nfs/dbraw/zinc/41/62/46/616416246.db2.gz YCMUJMSBQQIJNQ-OCCSQVGLSA-N 2 2 294.399 0.436 20 0 CCADLP C[N@@H+]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@@H]21 ZINC000827321110 616436494 /nfs/dbraw/zinc/43/64/94/616436494.db2.gz UJPXFIQLEJORAJ-STQMWFEESA-N 2 2 262.357 0.826 20 0 CCADLP C[N@H+]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@@H]21 ZINC000827321110 616436497 /nfs/dbraw/zinc/43/64/97/616436497.db2.gz UJPXFIQLEJORAJ-STQMWFEESA-N 2 2 262.357 0.826 20 0 CCADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2CN2C[C@@H]3C[C@@H]3C2=O)C1 ZINC000902193559 616449848 /nfs/dbraw/zinc/44/98/48/616449848.db2.gz BVURVAPANXTXEI-RFGFWPKPSA-N 2 2 263.385 0.838 20 0 CCADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2CN2C[C@@H]3C[C@@H]3C2=O)C1 ZINC000902193559 616449850 /nfs/dbraw/zinc/44/98/50/616449850.db2.gz BVURVAPANXTXEI-RFGFWPKPSA-N 2 2 263.385 0.838 20 0 CCADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2CN2C[C@@H]3C[C@@H]3C2=O)C1 ZINC000902193559 616449852 /nfs/dbraw/zinc/44/98/52/616449852.db2.gz BVURVAPANXTXEI-RFGFWPKPSA-N 2 2 263.385 0.838 20 0 CCADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2CN2C[C@@H]3C[C@@H]3C2=O)C1 ZINC000902193559 616449855 /nfs/dbraw/zinc/44/98/55/616449855.db2.gz BVURVAPANXTXEI-RFGFWPKPSA-N 2 2 263.385 0.838 20 0 CCADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000912613978 616498084 /nfs/dbraw/zinc/49/80/84/616498084.db2.gz GCWKCBZPGQPVRL-BXUZGUMPSA-N 2 2 280.372 0.190 20 0 CCADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000912613978 616498086 /nfs/dbraw/zinc/49/80/86/616498086.db2.gz GCWKCBZPGQPVRL-BXUZGUMPSA-N 2 2 280.372 0.190 20 0 CCADLP COC(=O)[C@@H]1[C@H](C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1(F)F ZINC000894098377 616511085 /nfs/dbraw/zinc/51/10/85/616511085.db2.gz ZSPFOEVQFZVTRE-JXUBOQSCSA-N 2 2 260.284 0.192 20 0 CCADLP COC(=O)[C@@H]1[C@H](C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1(F)F ZINC000894098377 616511088 /nfs/dbraw/zinc/51/10/88/616511088.db2.gz ZSPFOEVQFZVTRE-JXUBOQSCSA-N 2 2 260.284 0.192 20 0 CCADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000870979497 616519779 /nfs/dbraw/zinc/51/97/79/616519779.db2.gz MRIZSFQIWVOVQV-ZIAGYGMSSA-N 2 2 275.352 0.278 20 0 CCADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000870979497 616519782 /nfs/dbraw/zinc/51/97/82/616519782.db2.gz MRIZSFQIWVOVQV-ZIAGYGMSSA-N 2 2 275.352 0.278 20 0 CCADLP CNC(=O)CC1(C[NH2+][C@H]2C[NH2+]CCOC2)CCCCC1 ZINC000925718179 616560933 /nfs/dbraw/zinc/56/09/33/616560933.db2.gz XSEABFFAIYSGCG-ZDUSSCGKSA-N 2 2 283.416 0.651 20 0 CCADLP COCCOc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)o1 ZINC000892252680 616592590 /nfs/dbraw/zinc/59/25/90/616592590.db2.gz QDLVMEZFMCRELL-RYUDHWBXSA-N 2 2 266.341 0.956 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000923398728 616624293 /nfs/dbraw/zinc/62/42/93/616624293.db2.gz LOSJVHLZFLWNCS-AVGNSLFASA-N 2 2 272.389 0.273 20 0 CCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H]([NH3+])CC2CC2)CC1 ZINC000884315906 616634779 /nfs/dbraw/zinc/63/47/79/616634779.db2.gz DPSBXWSLZXJOAA-YPMHNXCESA-N 2 2 297.399 0.210 20 0 CCADLP COCC[C@@H]([NH3+])C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000884204768 616637644 /nfs/dbraw/zinc/63/76/44/616637644.db2.gz DKAOECLKKVRDDD-LLVKDONJSA-N 2 2 281.356 0.687 20 0 CCADLP CO[C@@H]1CCOC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000897890385 616672490 /nfs/dbraw/zinc/67/24/90/616672490.db2.gz PGHFCSXXHVKKEN-RRFJBIMHSA-N 2 2 284.400 0.633 20 0 CCADLP COCC[C@H]1C[NH2+]CCN1C(=O)Nc1cc(C)[nH+]cc1C ZINC000904398150 616687322 /nfs/dbraw/zinc/68/73/22/616687322.db2.gz LWYFSYLIOKZAJO-ZDUSSCGKSA-N 2 2 292.383 0.963 20 0 CCADLP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000925426776 616720276 /nfs/dbraw/zinc/72/02/76/616720276.db2.gz RJOPLVKOMKPCTP-ZDUSSCGKSA-N 2 2 298.431 0.443 20 0 CCADLP CNC(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000879335872 616758876 /nfs/dbraw/zinc/75/88/76/616758876.db2.gz XNEJIRSHLKNBOP-KGLIPLIRSA-N 2 2 298.431 0.227 20 0 CCADLP CNC(=O)NC[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000879335872 616758877 /nfs/dbraw/zinc/75/88/77/616758877.db2.gz XNEJIRSHLKNBOP-KGLIPLIRSA-N 2 2 298.431 0.227 20 0 CCADLP CO[C@@H]1COCC[C@H]1[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000880437362 616813139 /nfs/dbraw/zinc/81/31/39/616813139.db2.gz JTBBXUAILIQBNT-MGPQQGTHSA-N 2 2 272.389 0.177 20 0 CCADLP CO[C@@H]1COCC[C@H]1[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000880437362 616813141 /nfs/dbraw/zinc/81/31/41/616813141.db2.gz JTBBXUAILIQBNT-MGPQQGTHSA-N 2 2 272.389 0.177 20 0 CCADLP CO[C@@H]1COCC[C@H]1[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000880437362 616813148 /nfs/dbraw/zinc/81/31/48/616813148.db2.gz JTBBXUAILIQBNT-MGPQQGTHSA-N 2 2 272.389 0.177 20 0 CCADLP CO[C@@H]1COCC[C@H]1[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000880437362 616813151 /nfs/dbraw/zinc/81/31/51/616813151.db2.gz JTBBXUAILIQBNT-MGPQQGTHSA-N 2 2 272.389 0.177 20 0 CCADLP COC(=O)NC1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000852765571 616859705 /nfs/dbraw/zinc/85/97/05/616859705.db2.gz SEVJKBZIXPVFIM-ZDUSSCGKSA-N 2 2 285.388 0.262 20 0 CCADLP COC(=O)NC1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000852765571 616859707 /nfs/dbraw/zinc/85/97/07/616859707.db2.gz SEVJKBZIXPVFIM-ZDUSSCGKSA-N 2 2 285.388 0.262 20 0 CCADLP CO[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932578621 616875385 /nfs/dbraw/zinc/87/53/85/616875385.db2.gz YFMFIEHNBVYUGU-RRFJBIMHSA-N 2 2 295.427 0.648 20 0 CCADLP CO[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932578621 616875386 /nfs/dbraw/zinc/87/53/86/616875386.db2.gz YFMFIEHNBVYUGU-RRFJBIMHSA-N 2 2 295.427 0.648 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000923365408 616967561 /nfs/dbraw/zinc/96/75/61/616967561.db2.gz VJWPZKXSGAIBLB-OWCLPIDISA-N 3 2 299.459 0.390 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000923365408 616967563 /nfs/dbraw/zinc/96/75/63/616967563.db2.gz VJWPZKXSGAIBLB-OWCLPIDISA-N 3 2 299.459 0.390 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000923365408 616967564 /nfs/dbraw/zinc/96/75/64/616967564.db2.gz VJWPZKXSGAIBLB-OWCLPIDISA-N 3 2 299.459 0.390 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000923365408 616967566 /nfs/dbraw/zinc/96/75/66/616967566.db2.gz VJWPZKXSGAIBLB-OWCLPIDISA-N 3 2 299.459 0.390 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000923365410 616967760 /nfs/dbraw/zinc/96/77/60/616967760.db2.gz VJWPZKXSGAIBLB-PMPSAXMXSA-N 3 2 299.459 0.390 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000923365410 616967763 /nfs/dbraw/zinc/96/77/63/616967763.db2.gz VJWPZKXSGAIBLB-PMPSAXMXSA-N 3 2 299.459 0.390 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000923365410 616967766 /nfs/dbraw/zinc/96/77/66/616967766.db2.gz VJWPZKXSGAIBLB-PMPSAXMXSA-N 3 2 299.459 0.390 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000923365410 616967768 /nfs/dbraw/zinc/96/77/68/616967768.db2.gz VJWPZKXSGAIBLB-PMPSAXMXSA-N 3 2 299.459 0.390 20 0 CCADLP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000911864907 616983397 /nfs/dbraw/zinc/98/33/97/616983397.db2.gz UQSZIOXAVHSQIY-YPMHNXCESA-N 2 2 262.357 0.656 20 0 CCADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000923359711 617001228 /nfs/dbraw/zinc/00/12/28/617001228.db2.gz CSQVCYVFAXDAOP-HNNXBMFYSA-N 2 2 279.384 0.485 20 0 CCADLP COCC[N@@H+](Cc1nncn1C)CC1CC[NH+](C)CC1 ZINC000879126104 617029925 /nfs/dbraw/zinc/02/99/25/617029925.db2.gz SLDYGOHOSAICOM-UHFFFAOYSA-N 2 2 281.404 0.605 20 0 CCADLP COCC[N@H+](Cc1nncn1C)CC1CC[NH+](C)CC1 ZINC000879126104 617029926 /nfs/dbraw/zinc/02/99/26/617029926.db2.gz SLDYGOHOSAICOM-UHFFFAOYSA-N 2 2 281.404 0.605 20 0 CCADLP COc1c(C)c[nH+]c(CNC(=O)NCC[NH3+])c1C ZINC000841765397 617145615 /nfs/dbraw/zinc/14/56/15/617145615.db2.gz RTQBKJZTOQXELO-UHFFFAOYSA-N 2 2 252.318 0.465 20 0 CCADLP COc1c(C)c[nH+]c(CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])c1C ZINC000852864194 617145864 /nfs/dbraw/zinc/14/58/64/617145864.db2.gz ZGVXSXPYPUKWJC-DGCLKSJQSA-N 2 2 293.367 0.687 20 0 CCADLP Cc1cc(N)nc(N[C@H](C)CC[NH+]2CCN(C)CC2)[nH+]1 ZINC000893236717 625390924 /nfs/dbraw/zinc/39/09/24/625390924.db2.gz JXSNGVQNOLQULI-LLVKDONJSA-N 2 2 278.404 0.805 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2CC[C@H]([NH2+]CCO)[C@@H]2C1 ZINC001026324790 625398493 /nfs/dbraw/zinc/39/84/93/625398493.db2.gz QOURXDOHQKCXNG-MJBXVCDLSA-N 2 2 292.383 0.092 20 0 CCADLP Cc1ccc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)c(=O)n1C ZINC000925655227 625474718 /nfs/dbraw/zinc/47/47/18/625474718.db2.gz FRBOUXXCDDIQJL-XPABHHOTSA-N 2 2 273.380 0.780 20 0 CCADLP CC[NH2+]C1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001026583138 625476081 /nfs/dbraw/zinc/47/60/81/625476081.db2.gz KJFQJALMFRUJJC-UHFFFAOYSA-N 2 2 250.346 0.989 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC1CCC([NH2+]CCF)CC1 ZINC001026592681 625477223 /nfs/dbraw/zinc/47/72/23/625477223.db2.gz LCCLEXRZWMXFPT-UHFFFAOYSA-N 2 2 282.363 0.949 20 0 CCADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000925662228 625482675 /nfs/dbraw/zinc/48/26/75/625482675.db2.gz HDPAUAXPVZLPBL-KGLIPLIRSA-N 3 2 268.449 0.743 20 0 CCADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000925662228 625482677 /nfs/dbraw/zinc/48/26/77/625482677.db2.gz HDPAUAXPVZLPBL-KGLIPLIRSA-N 3 2 268.449 0.743 20 0 CCADLP CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001023116092 622914528 /nfs/dbraw/zinc/91/45/28/622914528.db2.gz ADYPEQWAYIDYAX-ZNMIVQPWSA-N 2 2 295.427 0.744 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]([N@H+](C)CCO)C1 ZINC000972515723 622917290 /nfs/dbraw/zinc/91/72/90/622917290.db2.gz ANVHNTXKVVEBEA-WCQYABFASA-N 2 2 280.372 0.113 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]([N@@H+](C)CCO)C1 ZINC000972515723 622917303 /nfs/dbraw/zinc/91/73/03/622917303.db2.gz ANVHNTXKVVEBEA-WCQYABFASA-N 2 2 280.372 0.113 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]([N@H+](C)CCO)C1 ZINC000972515723 622917310 /nfs/dbraw/zinc/91/73/10/622917310.db2.gz ANVHNTXKVVEBEA-WCQYABFASA-N 2 2 280.372 0.113 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]([N@@H+](C)CCO)C1 ZINC000972515723 622917315 /nfs/dbraw/zinc/91/73/15/622917315.db2.gz ANVHNTXKVVEBEA-WCQYABFASA-N 2 2 280.372 0.113 20 0 CCADLP CC[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001024235995 623268171 /nfs/dbraw/zinc/26/81/71/623268171.db2.gz AMCUZVXNEOIOKB-GFCCVEGCSA-N 2 2 264.373 0.811 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC2CC2)C1 ZINC001024913165 623485420 /nfs/dbraw/zinc/48/54/20/623485420.db2.gz VJRQHOKUWSWQHM-HUUCEWRRSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC2CC2)C1 ZINC001024913165 623485426 /nfs/dbraw/zinc/48/54/26/623485426.db2.gz VJRQHOKUWSWQHM-HUUCEWRRSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCC(C)(C)[NH3+] ZINC000892849383 623852721 /nfs/dbraw/zinc/85/27/21/623852721.db2.gz IFNKSYCBMMKXOW-OLZOCXBDSA-N 2 2 298.431 0.618 20 0 CCADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[C@@H]([NH2+]CCF)C1 ZINC000969125251 624465521 /nfs/dbraw/zinc/46/55/21/624465521.db2.gz YUYKSHLNPWADPC-VXGBXAGGSA-N 2 2 280.347 0.606 20 0 CCADLP O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001020571812 624532015 /nfs/dbraw/zinc/53/20/15/624532015.db2.gz VOTDTTTWNLDEOE-DCAQKATOSA-N 2 2 278.356 0.059 20 0 CCADLP O=c1cc(N2CC[C@@H]([NH2+][C@H]3CC[NH2+]C34CCC4)C2)nc[nH]1 ZINC000902503492 634393970 /nfs/dbraw/zinc/39/39/70/634393970.db2.gz YCBNJMZIEQEZJL-NEPJUHHUSA-N 2 2 289.383 0.635 20 0 CCADLP Cc1ncc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)o1 ZINC000970102623 624601451 /nfs/dbraw/zinc/60/14/51/624601451.db2.gz FEEICEIXFHUBOG-LLVKDONJSA-N 2 2 289.339 0.639 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CC2)C1 ZINC001020928098 624625955 /nfs/dbraw/zinc/62/59/55/624625955.db2.gz VKCQNIIGRJKHBH-JOCQHMNTSA-N 2 2 276.384 1.000 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]([NH2+]CCF)C1 ZINC000970227093 624658768 /nfs/dbraw/zinc/65/87/68/624658768.db2.gz FWCDNWONJRNSSM-GHMZBOCLSA-N 2 2 268.336 0.748 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH2+][C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)O1 ZINC001021126180 624662761 /nfs/dbraw/zinc/66/27/61/624662761.db2.gz HLHWGZCKFPVGLK-SYQHCUMBSA-N 2 2 292.383 0.687 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000902516730 634400833 /nfs/dbraw/zinc/40/08/33/634400833.db2.gz FQHCZKHFNDHOQZ-FMKGYKFTSA-N 2 2 254.374 0.768 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC([C@H]2COC(=O)N2)CC1 ZINC000932773213 624699964 /nfs/dbraw/zinc/69/99/64/624699964.db2.gz MUPWMRBAWCSLGX-UONOGXRCSA-N 2 2 299.415 0.508 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC([C@H]2COC(=O)N2)CC1 ZINC000932773213 624699966 /nfs/dbraw/zinc/69/99/66/624699966.db2.gz MUPWMRBAWCSLGX-UONOGXRCSA-N 2 2 299.415 0.508 20 0 CCADLP Cc1nonc1C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000970719907 624737862 /nfs/dbraw/zinc/73/78/62/624737862.db2.gz MYDUGKYEBSQPAN-GFCCVEGCSA-N 2 2 293.371 0.164 20 0 CCADLP COc1cccc(CNC(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000050248749 624804103 /nfs/dbraw/zinc/80/41/03/624804103.db2.gz XPNVDVBDHPJBLU-CYBMUJFWSA-N 2 2 277.368 0.592 20 0 CCADLP COc1cccc(CNC(=O)C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000050248749 624804104 /nfs/dbraw/zinc/80/41/04/624804104.db2.gz XPNVDVBDHPJBLU-CYBMUJFWSA-N 2 2 277.368 0.592 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC2(CC1)C[C@H](O)CCO2)C1CC1 ZINC000933054004 624823129 /nfs/dbraw/zinc/82/31/29/624823129.db2.gz FJYBFBMTCMPSEY-HUUCEWRRSA-N 2 2 298.427 0.447 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC2(CC1)C[C@H](O)CCO2)C1CC1 ZINC000933054004 624823131 /nfs/dbraw/zinc/82/31/31/624823131.db2.gz FJYBFBMTCMPSEY-HUUCEWRRSA-N 2 2 298.427 0.447 20 0 CCADLP O=C(NCc1ccn2cc[nH+]c2c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891681101 624902716 /nfs/dbraw/zinc/90/27/16/624902716.db2.gz GYHFJVYQCIITAO-BETUJISGSA-N 2 2 285.351 0.980 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001022311695 624921256 /nfs/dbraw/zinc/92/12/56/624921256.db2.gz WEMRNZSDPHKCIV-LPWJVIDDSA-N 2 2 292.383 0.063 20 0 CCADLP C[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001027448646 625887335 /nfs/dbraw/zinc/88/73/35/625887335.db2.gz KZLWHJMXCGJUIK-YNEHKIRRSA-N 2 2 292.383 0.428 20 0 CCADLP C[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001027448646 625887337 /nfs/dbraw/zinc/88/73/37/625887337.db2.gz KZLWHJMXCGJUIK-YNEHKIRRSA-N 2 2 292.383 0.428 20 0 CCADLP C[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001027448646 625887340 /nfs/dbraw/zinc/88/73/40/625887340.db2.gz KZLWHJMXCGJUIK-YNEHKIRRSA-N 2 2 292.383 0.428 20 0 CCADLP C[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001027448646 625887341 /nfs/dbraw/zinc/88/73/41/625887341.db2.gz KZLWHJMXCGJUIK-YNEHKIRRSA-N 2 2 292.383 0.428 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cnn1C ZINC000903873478 634673305 /nfs/dbraw/zinc/67/33/05/634673305.db2.gz IMGMYTZBBYBGSC-BPLDGKMQSA-N 3 2 293.459 0.905 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cnn1C ZINC000903873478 634673310 /nfs/dbraw/zinc/67/33/10/634673310.db2.gz IMGMYTZBBYBGSC-BPLDGKMQSA-N 3 2 293.459 0.905 20 0 CCADLP OCC[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C1CC1 ZINC000903883868 634677050 /nfs/dbraw/zinc/67/70/50/634677050.db2.gz LARLCYYCQGBTAF-LBPRGKRZSA-N 2 2 265.361 0.159 20 0 CCADLP OCC[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)C1CC1 ZINC000903883868 634677057 /nfs/dbraw/zinc/67/70/57/634677057.db2.gz LARLCYYCQGBTAF-LBPRGKRZSA-N 2 2 265.361 0.159 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cnn1C ZINC000903919595 634687154 /nfs/dbraw/zinc/68/71/54/634687154.db2.gz OOXXOSSSXKEEEM-NJZAAPMLSA-N 3 2 279.432 0.576 20 0 CCADLP C[C@]1(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)CCC[NH2+]C1 ZINC000904350480 634733169 /nfs/dbraw/zinc/73/31/69/634733169.db2.gz MWLXNSCOASTIMG-CABCVRRESA-N 3 2 266.433 0.356 20 0 CCADLP Cc1nc(CN2CC[NH+](C[C@]3(C)CCC[NH2+]C3)CC2)no1 ZINC000904359272 634734845 /nfs/dbraw/zinc/73/48/45/634734845.db2.gz IFIFXDDWLSAEGL-OAHLLOKOSA-N 2 2 293.415 0.885 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000905004132 634775941 /nfs/dbraw/zinc/77/59/41/634775941.db2.gz CBQPGKBSKZQZMT-GHMZBOCLSA-N 2 2 265.361 0.650 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1(O)CCCC1 ZINC000905048147 634785407 /nfs/dbraw/zinc/78/54/07/634785407.db2.gz XJPGSDSJPRZXTH-HZSPNIEDSA-N 2 2 268.401 0.869 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)C1(O)CCCC1 ZINC000905048147 634785410 /nfs/dbraw/zinc/78/54/10/634785410.db2.gz XJPGSDSJPRZXTH-HZSPNIEDSA-N 2 2 268.401 0.869 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([N@@H+](C)C[C@@H](C)O)C1 ZINC000980271438 631007165 /nfs/dbraw/zinc/00/71/65/631007165.db2.gz VCLQEQDCEPUCNT-ZYHUDNBSSA-N 2 2 280.372 0.174 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([N@H+](C)C[C@@H](C)O)C1 ZINC000980271438 631007170 /nfs/dbraw/zinc/00/71/70/631007170.db2.gz VCLQEQDCEPUCNT-ZYHUDNBSSA-N 2 2 280.372 0.174 20 0 CCADLP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[N@@H+](CCF)CC1 ZINC000981175763 631243374 /nfs/dbraw/zinc/24/33/74/631243374.db2.gz FVMKKWSZXYVYDN-CQSZACIVSA-N 2 2 283.391 0.832 20 0 CCADLP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[N@H+](CCF)CC1 ZINC000981175763 631243380 /nfs/dbraw/zinc/24/33/80/631243380.db2.gz FVMKKWSZXYVYDN-CQSZACIVSA-N 2 2 283.391 0.832 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[C@H]([NH2+]CCO)C1 ZINC000981485210 631282851 /nfs/dbraw/zinc/28/28/51/631282851.db2.gz HRONJWLAJLDAOG-RYUDHWBXSA-N 2 2 280.372 0.270 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CC2(C1)CCC[N@@H+](CCO)C2 ZINC000981740729 631313985 /nfs/dbraw/zinc/31/39/85/631313985.db2.gz ZZVJWFUSCBXAGH-UHFFFAOYSA-N 2 2 292.383 0.259 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CC2(C1)CCC[N@H+](CCO)C2 ZINC000981740729 631313990 /nfs/dbraw/zinc/31/39/90/631313990.db2.gz ZZVJWFUSCBXAGH-UHFFFAOYSA-N 2 2 292.383 0.259 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N2CCC[NH+](CCF)CC2)C1 ZINC000981957354 631348101 /nfs/dbraw/zinc/34/81/01/631348101.db2.gz JFSXXLWTMILTOF-CYBMUJFWSA-N 2 2 271.380 0.832 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[NH+](CCF)CC2)C1 ZINC000981957354 631348108 /nfs/dbraw/zinc/34/81/08/631348108.db2.gz JFSXXLWTMILTOF-CYBMUJFWSA-N 2 2 271.380 0.832 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)N2CCC[N@H+](CCF)CC2)C1 ZINC000981957354 631348113 /nfs/dbraw/zinc/34/81/13/631348113.db2.gz JFSXXLWTMILTOF-CYBMUJFWSA-N 2 2 271.380 0.832 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)N2CCC[N@@H+](CCF)CC2)C1 ZINC000981957354 631348119 /nfs/dbraw/zinc/34/81/19/631348119.db2.gz JFSXXLWTMILTOF-CYBMUJFWSA-N 2 2 271.380 0.832 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccnc2)C1 ZINC001010370122 631352938 /nfs/dbraw/zinc/35/29/38/631352938.db2.gz SZCLNQOEIXIZQL-GJZGRUSLSA-N 2 2 288.395 0.866 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2cccnc2)C1 ZINC001010370122 631352943 /nfs/dbraw/zinc/35/29/43/631352943.db2.gz SZCLNQOEIXIZQL-GJZGRUSLSA-N 2 2 288.395 0.866 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001010370122 631352947 /nfs/dbraw/zinc/35/29/47/631352947.db2.gz SZCLNQOEIXIZQL-GJZGRUSLSA-N 2 2 288.395 0.866 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001010370122 631352951 /nfs/dbraw/zinc/35/29/51/631352951.db2.gz SZCLNQOEIXIZQL-GJZGRUSLSA-N 2 2 288.395 0.866 20 0 CCADLP O=S(=O)(CC1CC[NH2+]CC1)N1CCc2c[nH+]ccc21 ZINC000905343765 634851099 /nfs/dbraw/zinc/85/10/99/634851099.db2.gz PEVGEDFVVVCGAX-UHFFFAOYSA-N 2 2 281.381 0.774 20 0 CCADLP Cc1cc(CC[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)nn1C ZINC000925831141 631363613 /nfs/dbraw/zinc/36/36/13/631363613.db2.gz CIYXZJWHCAULGE-RISCZKNCSA-N 2 2 266.389 0.628 20 0 CCADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905368416 634855728 /nfs/dbraw/zinc/85/57/28/634855728.db2.gz QNIHBGXNRAUEJY-KGLIPLIRSA-N 2 2 286.416 0.089 20 0 CCADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905368416 634855732 /nfs/dbraw/zinc/85/57/32/634855732.db2.gz QNIHBGXNRAUEJY-KGLIPLIRSA-N 2 2 286.416 0.089 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CCO)CC[C@H]1C ZINC000968596632 650022368 /nfs/dbraw/zinc/02/23/68/650022368.db2.gz LBVOQBDQVZPVQP-ZWNOBZJWSA-N 2 2 280.372 0.080 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CCO)CC[C@H]1C ZINC000968596632 650022369 /nfs/dbraw/zinc/02/23/69/650022369.db2.gz LBVOQBDQVZPVQP-ZWNOBZJWSA-N 2 2 280.372 0.080 20 0 CCADLP C[C@@H]1[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC[N@H+]1C ZINC000928437158 631840612 /nfs/dbraw/zinc/84/06/12/631840612.db2.gz KGYZFMRDWIXTDW-NQBHXWOUSA-N 2 2 262.357 0.654 20 0 CCADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@H]1CC[N@H+]1C)CC2 ZINC000928554327 631982093 /nfs/dbraw/zinc/98/20/93/631982093.db2.gz GHQSFIHIAXNNEE-VXGBXAGGSA-N 2 2 262.357 0.574 20 0 CCADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@H]1CC[N@@H+]1C)CC2 ZINC000928554327 631982106 /nfs/dbraw/zinc/98/21/06/631982106.db2.gz GHQSFIHIAXNNEE-VXGBXAGGSA-N 2 2 262.357 0.574 20 0 CCADLP O=C(NCCNc1cccc[nH+]1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895608364 632107865 /nfs/dbraw/zinc/10/78/65/632107865.db2.gz LBHNWBCJVHMCAX-CYBMUJFWSA-N 2 2 290.367 0.330 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000897365107 632705290 /nfs/dbraw/zinc/70/52/90/632705290.db2.gz RZYQSKWUJBYVMX-UHFFFAOYSA-N 2 2 292.383 0.190 20 0 CCADLP C[C@@H]1[C@H]([NH2+]CCF)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000986216408 632730774 /nfs/dbraw/zinc/73/07/74/632730774.db2.gz VGXOEHOYRILACF-GHMZBOCLSA-N 2 2 268.336 0.891 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@](C)(O)CC[NH+](C)C)c[nH+]1 ZINC000897439844 632990723 /nfs/dbraw/zinc/99/07/23/632990723.db2.gz HQRJUHKJAWLPRA-OAHLLOKOSA-N 2 2 296.415 0.746 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCO)CN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000989043213 633139753 /nfs/dbraw/zinc/13/97/53/633139753.db2.gz RSYSUAWVJHVTRZ-PWSUYJOCSA-N 2 2 288.351 0.748 20 0 CCADLP CO[C@H](C)C[N@@H+]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000989562592 633328946 /nfs/dbraw/zinc/32/89/46/633328946.db2.gz HZBMXAXYYBQXFD-GFCCVEGCSA-N 2 2 294.399 0.830 20 0 CCADLP CO[C@H](C)C[N@H+]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000989562592 633328950 /nfs/dbraw/zinc/32/89/50/633328950.db2.gz HZBMXAXYYBQXFD-GFCCVEGCSA-N 2 2 294.399 0.830 20 0 CCADLP CC[N@@H+]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000989562777 633329531 /nfs/dbraw/zinc/32/95/31/633329531.db2.gz MFRBIUYHSRMTBQ-UHFFFAOYSA-N 2 2 250.346 0.815 20 0 CCADLP CC[N@H+]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000989562777 633329540 /nfs/dbraw/zinc/32/95/40/633329540.db2.gz MFRBIUYHSRMTBQ-UHFFFAOYSA-N 2 2 250.346 0.815 20 0 CCADLP O=C(N1CCN(c2cccc[nH+]2)CC1)C12CC[NH+](CC1)C2 ZINC000899932403 633924195 /nfs/dbraw/zinc/92/41/95/633924195.db2.gz ORBYJSCIZLEXOX-UHFFFAOYSA-N 2 2 286.379 0.826 20 0 CCADLP O=C(CNc1cccc[nH+]1)NC[C@H]1CCCC[N@H+]1CCO ZINC000908541406 635409210 /nfs/dbraw/zinc/40/92/10/635409210.db2.gz RLKTXTOVADJKKV-CYBMUJFWSA-N 2 2 292.383 0.457 20 0 CCADLP O=C(CNc1cccc[nH+]1)NC[C@H]1CCCC[N@@H+]1CCO ZINC000908541406 635409215 /nfs/dbraw/zinc/40/92/15/635409215.db2.gz RLKTXTOVADJKKV-CYBMUJFWSA-N 2 2 292.383 0.457 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000911712480 636345757 /nfs/dbraw/zinc/34/57/57/636345757.db2.gz BVWPNDAJXZYCQN-WDEREUQCSA-N 2 2 250.346 0.847 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000911712480 636345764 /nfs/dbraw/zinc/34/57/64/636345764.db2.gz BVWPNDAJXZYCQN-WDEREUQCSA-N 2 2 250.346 0.847 20 0 CCADLP O=C(NCC[C@@H]1CC[NH2+]C1)[C@H]1CCc2c[nH+]cn2C1 ZINC000911769285 636373421 /nfs/dbraw/zinc/37/34/21/636373421.db2.gz TVKHNKTYTOGJSP-RYUDHWBXSA-N 2 2 262.357 0.561 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912915231 636701371 /nfs/dbraw/zinc/70/13/71/636701371.db2.gz DNFQITCOTDPHAP-ZDUSSCGKSA-N 2 2 262.357 0.970 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)N1CC[N@@H+](C)[C@@H](CO)C1 ZINC000913551256 636845841 /nfs/dbraw/zinc/84/58/41/636845841.db2.gz LSVSRUXDTSDOKI-CYBMUJFWSA-N 2 2 280.372 0.107 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000913551256 636845844 /nfs/dbraw/zinc/84/58/44/636845844.db2.gz LSVSRUXDTSDOKI-CYBMUJFWSA-N 2 2 280.372 0.107 20 0 CCADLP CNc1cc(NCC[NH+]2CCSCC2)nc[nH+]1 ZINC000230950735 637192386 /nfs/dbraw/zinc/19/23/86/637192386.db2.gz SAFMJNAFFRPDKZ-UHFFFAOYSA-N 2 2 253.375 0.979 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000232112631 637244133 /nfs/dbraw/zinc/24/41/33/637244133.db2.gz PUKDIOLAQJNGMW-VXGBXAGGSA-N 2 2 282.388 0.778 20 0 CCADLP C[N@@H+]1CC[C@@H]1CNC(=O)NCCNc1cccc[nH+]1 ZINC000913915548 637467747 /nfs/dbraw/zinc/46/77/47/637467747.db2.gz HDGPGTATLCAPQV-LLVKDONJSA-N 2 2 263.345 0.497 20 0 CCADLP C[N@H+]1CC[C@@H]1CNC(=O)NCCNc1cccc[nH+]1 ZINC000913915548 637467752 /nfs/dbraw/zinc/46/77/52/637467752.db2.gz HDGPGTATLCAPQV-LLVKDONJSA-N 2 2 263.345 0.497 20 0 CCADLP C[C@H]1[C@@H](NC(=O)NCC[NH+]2CCOCC2(C)C)CC[N@@H+]1C ZINC000916618969 637910921 /nfs/dbraw/zinc/91/09/21/637910921.db2.gz FFDLNORQFOCOGM-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H]1[C@@H](NC(=O)NCC[NH+]2CCOCC2(C)C)CC[N@H+]1C ZINC000916618969 637910926 /nfs/dbraw/zinc/91/09/26/637910926.db2.gz FFDLNORQFOCOGM-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H]1[C@@H](NC(=O)NCC[N@@H+]2CCOCC2(C)C)CC[NH+]1C ZINC000916618969 637910931 /nfs/dbraw/zinc/91/09/31/637910931.db2.gz FFDLNORQFOCOGM-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H]1[C@@H](NC(=O)NCC[N@H+]2CCOCC2(C)C)CC[NH+]1C ZINC000916618969 637910934 /nfs/dbraw/zinc/91/09/34/637910934.db2.gz FFDLNORQFOCOGM-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)CC1CN(S(C)(=O)=O)C1 ZINC000930127006 638134341 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O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC12CC[NH+](CCCO)CC2 ZINC001016852415 650766357 /nfs/dbraw/zinc/76/63/57/650766357.db2.gz YLFSQDQDXBJJPY-ZDUSSCGKSA-N 2 2 292.383 0.305 20 0 CCADLP C[C@@H](O)C[NH+]1CCC2(C[C@H]2NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001016902873 650770242 /nfs/dbraw/zinc/77/02/42/650770242.db2.gz RLFOIDOGONVNNW-VXGBXAGGSA-N 2 2 292.383 0.304 20 0 CCADLP C[C@H](O)C[NH+]1CCC2(C[C@@H]2NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001016902872 650770291 /nfs/dbraw/zinc/77/02/91/650770291.db2.gz RLFOIDOGONVNNW-RYUDHWBXSA-N 2 2 292.383 0.304 20 0 CCADLP Cc1ccc(NC(=O)N[C@H](C)C[NH3+])c(N(C)C)[nH+]1 ZINC000841154581 642805428 /nfs/dbraw/zinc/80/54/28/642805428.db2.gz JIEXZCOPKDVTJW-SECBINFHSA-N 2 2 251.334 0.925 20 0 CCADLP C[C@@H](C[NH3+])NC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000841981932 642866045 /nfs/dbraw/zinc/86/60/45/642866045.db2.gz HRJWTVQKKJHYNS-NSHDSACASA-N 2 2 282.413 0.923 20 0 CCADLP C[C@H]1CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C[C@@H]1C[NH3+] ZINC000842510251 642902346 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ZINC001018270581 650851455 /nfs/dbraw/zinc/85/14/55/650851455.db2.gz STADQSBXNZNULK-OKILXGFUSA-N 2 2 292.383 0.513 20 0 CCADLP COCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1C ZINC001018270581 650851457 /nfs/dbraw/zinc/85/14/57/650851457.db2.gz STADQSBXNZNULK-OKILXGFUSA-N 2 2 292.383 0.513 20 0 CCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000848428590 643635338 /nfs/dbraw/zinc/63/53/38/643635338.db2.gz DLHMZJYMLPDXIN-WFASDCNBSA-N 2 2 274.368 0.800 20 0 CCADLP OC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CC1 ZINC000848533421 643650256 /nfs/dbraw/zinc/65/02/56/643650256.db2.gz HSZBOGPMMFMCKT-KGLIPLIRSA-N 2 2 254.374 0.600 20 0 CCADLP [NH3+]Cc1cccc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000851644382 643863373 /nfs/dbraw/zinc/86/33/73/643863373.db2.gz PCYXGFILHHTARO-OAHLLOKOSA-N 2 2 289.379 0.692 20 0 CCADLP [NH3+]CCCCCCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000851667142 643868031 /nfs/dbraw/zinc/86/80/31/643868031.db2.gz NMVYOUJTYFNGST-AWEZNQCLSA-N 2 2 298.431 0.622 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC2=C(CCC(=O)N2)C1 ZINC000852296115 643951328 /nfs/dbraw/zinc/95/13/28/643951328.db2.gz QVLWTTXSVPMXFP-CYBMUJFWSA-N 2 2 281.400 0.557 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC2=C(CCC(=O)N2)C1 ZINC000852296115 643951331 /nfs/dbraw/zinc/95/13/31/643951331.db2.gz QVLWTTXSVPMXFP-CYBMUJFWSA-N 2 2 281.400 0.557 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852296115 643951337 /nfs/dbraw/zinc/95/13/37/643951337.db2.gz QVLWTTXSVPMXFP-CYBMUJFWSA-N 2 2 281.400 0.557 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852296115 643951342 /nfs/dbraw/zinc/95/13/42/643951342.db2.gz QVLWTTXSVPMXFP-CYBMUJFWSA-N 2 2 281.400 0.557 20 0 CCADLP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000852853707 644024692 /nfs/dbraw/zinc/02/46/92/644024692.db2.gz ONOSLSNYNIHVCF-DGCLKSJQSA-N 2 2 267.373 0.060 20 0 CCADLP O[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccn1 ZINC000853098913 644074431 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C[C@H]([NH3+])CN(C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000861572256 644892643 /nfs/dbraw/zinc/89/26/43/644892643.db2.gz PQVLEXJLXVYWNT-NSHDSACASA-N 2 2 272.393 0.086 20 0 CCADLP C[C@H]([NH3+])CN(C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000861572256 644892644 /nfs/dbraw/zinc/89/26/44/644892644.db2.gz PQVLEXJLXVYWNT-NSHDSACASA-N 2 2 272.393 0.086 20 0 CCADLP Cc1oncc1C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001019437873 650973429 /nfs/dbraw/zinc/97/34/29/650973429.db2.gz ADTHZYDIBSBOKC-LBPRGKRZSA-N 2 2 289.339 0.639 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)c[nH+]1 ZINC000864086877 645169523 /nfs/dbraw/zinc/16/95/23/645169523.db2.gz LAIDGTCZBHKJJS-ZYHUDNBSSA-N 2 2 264.373 0.980 20 0 CCADLP CC(C)[N@H+](C)CCCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864858715 645295583 /nfs/dbraw/zinc/29/55/83/645295583.db2.gz NHJMEBZXPMUGLO-XQRVVYSFSA-N 2 2 283.416 0.721 20 0 CCADLP CC(C)[N@@H+](C)CCCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864858715 645295588 /nfs/dbraw/zinc/29/55/88/645295588.db2.gz NHJMEBZXPMUGLO-XQRVVYSFSA-N 2 2 283.416 0.721 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865819879 645424230 /nfs/dbraw/zinc/42/42/30/645424230.db2.gz YQYTUCNMROLIOL-PLNGDYQASA-N 2 2 269.389 0.331 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865819879 645424237 /nfs/dbraw/zinc/42/42/37/645424237.db2.gz YQYTUCNMROLIOL-PLNGDYQASA-N 2 2 269.389 0.331 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)[C@H](c2cccnc2)[NH+](C)C)C1 ZINC001019833632 651009944 /nfs/dbraw/zinc/00/99/44/651009944.db2.gz NWCKKAGBBXFAJG-KBPBESRZSA-N 2 2 276.384 0.895 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]([NH2+]Cc2ccccn2)C1 ZINC001019869216 651011802 /nfs/dbraw/zinc/01/18/02/651011802.db2.gz USUDDQWOGUSMGI-AWEZNQCLSA-N 2 2 285.351 0.669 20 0 CCADLP O=C([C@H](O)c1c[nH+]c[nH]1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000865992669 645455161 /nfs/dbraw/zinc/45/51/61/645455161.db2.gz KTUQWQJDABAZAS-CQSZACIVSA-N 2 2 292.383 0.920 20 0 CCADLP O=C([C@H](O)c1c[nH+]c[nH]1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000865992669 645455167 /nfs/dbraw/zinc/45/51/67/645455167.db2.gz KTUQWQJDABAZAS-CQSZACIVSA-N 2 2 292.383 0.920 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)/C=C\C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000866070280 645475661 /nfs/dbraw/zinc/47/56/61/645475661.db2.gz AFEHGRMDUJXBJS-TYHIMRJMSA-N 2 2 281.400 0.474 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)/C=C\C[NH+]2CCOCC2)CC[N@H+]1C ZINC000866070280 645475665 /nfs/dbraw/zinc/47/56/65/645475665.db2.gz AFEHGRMDUJXBJS-TYHIMRJMSA-N 2 2 281.400 0.474 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)/C=C\C[NH+]2CCOCC2)C[N@@H+]1C1CC1 ZINC000866457143 645530603 /nfs/dbraw/zinc/53/06/03/645530603.db2.gz JMRUITYYTSLJHV-DTSKHDKYSA-N 2 2 293.411 0.616 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)/C=C\C[NH+]2CCOCC2)C[N@H+]1C1CC1 ZINC000866457143 645530616 /nfs/dbraw/zinc/53/06/16/645530616.db2.gz JMRUITYYTSLJHV-DTSKHDKYSA-N 2 2 293.411 0.616 20 0 CCADLP Cc1cnc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)o1 ZINC000866714701 645580668 /nfs/dbraw/zinc/58/06/68/645580668.db2.gz VNELPPOBBNQWFO-TUAOUCFPSA-N 2 2 292.339 0.350 20 0 CCADLP Cc1cnc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)o1 ZINC000866714701 645580678 /nfs/dbraw/zinc/58/06/78/645580678.db2.gz VNELPPOBBNQWFO-TUAOUCFPSA-N 2 2 292.339 0.350 20 0 CCADLP C[C@@H](CNC(=O)/C=C\C[NH+]1CCOCC1)C[NH+](C)C ZINC000868513697 645779846 /nfs/dbraw/zinc/77/98/46/645779846.db2.gz QBAIQNRTZCPNSC-ZFDPJTLLSA-N 2 2 269.389 0.189 20 0 CCADLP O=C(N[C@H]1C[C@H]([NH2+]CCF)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001020308888 651057997 /nfs/dbraw/zinc/05/79/97/651057997.db2.gz ULSSGQPGYOVLFZ-SRVKXCTJSA-N 2 2 280.347 0.652 20 0 CCADLP Cn1cc(N2CC[C@@H]([N@@H+]3C[C@@H]4C[NH2+]C[C@]4(C)C3)C2=O)cn1 ZINC000872154612 646215001 /nfs/dbraw/zinc/21/50/01/646215001.db2.gz YGVWNZUTWPIYFD-NJZAAPMLSA-N 2 2 289.383 0.067 20 0 CCADLP Cn1cc(N2CC[C@@H]([N@H+]3C[C@@H]4C[NH2+]C[C@]4(C)C3)C2=O)cn1 ZINC000872154612 646215007 /nfs/dbraw/zinc/21/50/07/646215007.db2.gz YGVWNZUTWPIYFD-NJZAAPMLSA-N 2 2 289.383 0.067 20 0 CCADLP C[C@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)[C@@H]1CCCC[NH2+]1 ZINC000873250092 646365645 /nfs/dbraw/zinc/36/56/45/646365645.db2.gz OZRSLGBEMPFSMX-SGMGOOAPSA-N 2 2 283.372 0.328 20 0 CCADLP C[C@@H]([NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)C1CC[NH2+]CC1 ZINC000873270356 646368369 /nfs/dbraw/zinc/36/83/69/646368369.db2.gz RJBJGWIPJAFRLS-DFBGVHRSSA-N 3 2 267.417 0.731 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C1(C[NH+](C)C)CC1 ZINC000874711122 646483207 /nfs/dbraw/zinc/48/32/07/646483207.db2.gz VKFYTVSCGOWTTR-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C1(C[NH+](C)C)CC1 ZINC000874711122 646483215 /nfs/dbraw/zinc/48/32/15/646483215.db2.gz VKFYTVSCGOWTTR-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)[C@@H](C)[NH+]1CCOCC1 ZINC000876756576 646658229 /nfs/dbraw/zinc/65/82/29/646658229.db2.gz VMXMQOFRMYEBLT-ZNSHCXBVSA-N 2 2 291.342 0.052 20 0 CCADLP O=C(N1CC[NH+]([C@H]2CCOC2)CC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876966269 646708821 /nfs/dbraw/zinc/70/88/21/646708821.db2.gz OIFXNURVXPRQMC-LZWOXQAQSA-N 2 2 293.411 0.452 20 0 CCADLP C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC[NH2+]CC1 ZINC000877253879 646769911 /nfs/dbraw/zinc/76/99/11/646769911.db2.gz IDOKJUXHKHDDNS-YPMHNXCESA-N 2 2 276.384 0.950 20 0 CCADLP Cn1nnnc1CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000877969872 646855799 /nfs/dbraw/zinc/85/57/99/646855799.db2.gz FDUXYAPPCPVWTJ-UHFFFAOYSA-N 2 2 278.404 0.703 20 0 CCADLP O=C1OCC[C@@H]1[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878743607 646971935 /nfs/dbraw/zinc/97/19/35/646971935.db2.gz JBYWZSIOCVCDJV-ZDUSSCGKSA-N 2 2 261.325 0.909 20 0 CCADLP O=C1OCC[C@@H]1[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878743607 646971941 /nfs/dbraw/zinc/97/19/41/646971941.db2.gz JBYWZSIOCVCDJV-ZDUSSCGKSA-N 2 2 261.325 0.909 20 0 CCADLP Cn1ccc(C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1=O ZINC000879571055 647074935 /nfs/dbraw/zinc/07/49/35/647074935.db2.gz MFHQIGBKBHOLKM-ZIAGYGMSSA-N 2 2 261.369 0.911 20 0 CCADLP Cn1ccc(C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)cc1=O ZINC000879571055 647074945 /nfs/dbraw/zinc/07/49/45/647074945.db2.gz MFHQIGBKBHOLKM-ZIAGYGMSSA-N 2 2 261.369 0.911 20 0 CCADLP Cn1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1=O ZINC000879571055 647074958 /nfs/dbraw/zinc/07/49/58/647074958.db2.gz MFHQIGBKBHOLKM-ZIAGYGMSSA-N 2 2 261.369 0.911 20 0 CCADLP Cn1ccc(C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1=O ZINC000879571055 647074967 /nfs/dbraw/zinc/07/49/67/647074967.db2.gz MFHQIGBKBHOLKM-ZIAGYGMSSA-N 2 2 261.369 0.911 20 0 CCADLP O=C1NCCO[C@H]2CCC[N@H+](CCCn3cc[nH+]c3)[C@@H]12 ZINC000879722790 647102146 /nfs/dbraw/zinc/10/21/46/647102146.db2.gz XWLKTOFCFPOSAN-QWHCGFSZSA-N 2 2 278.356 0.253 20 0 CCADLP O=C1NCCO[C@H]2CCC[N@@H+](CCCn3cc[nH+]c3)[C@@H]12 ZINC000879722790 647102147 /nfs/dbraw/zinc/10/21/47/647102147.db2.gz XWLKTOFCFPOSAN-QWHCGFSZSA-N 2 2 278.356 0.253 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000879941086 647130611 /nfs/dbraw/zinc/13/06/11/647130611.db2.gz SPWGBAXBHRASSG-KGLIPLIRSA-N 2 2 297.424 0.948 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000879941086 647130613 /nfs/dbraw/zinc/13/06/13/647130613.db2.gz SPWGBAXBHRASSG-KGLIPLIRSA-N 2 2 297.424 0.948 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000879993659 647140579 /nfs/dbraw/zinc/14/05/79/647140579.db2.gz ZOAUCDYIQXESBQ-WCQYABFASA-N 2 2 280.372 0.161 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000879993659 647140583 /nfs/dbraw/zinc/14/05/83/647140583.db2.gz ZOAUCDYIQXESBQ-WCQYABFASA-N 2 2 280.372 0.161 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCNC(=O)CC12CCC2 ZINC000880167193 647165508 /nfs/dbraw/zinc/16/55/08/647165508.db2.gz JIGMKHGPTRZEAG-UHFFFAOYSA-N 2 2 262.357 0.936 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCNC(=O)CC12CCC2 ZINC000880167193 647165513 /nfs/dbraw/zinc/16/55/13/647165513.db2.gz JIGMKHGPTRZEAG-UHFFFAOYSA-N 2 2 262.357 0.936 20 0 CCADLP C[C@@H](O)C[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880252901 647175625 /nfs/dbraw/zinc/17/56/25/647175625.db2.gz GQDKBCUIUPQUSS-GFCCVEGCSA-N 2 2 269.389 0.173 20 0 CCADLP Cn1cc(CC[NH+]2CCC(C)([NH+]3CCC3)CC2)nn1 ZINC000880475241 647204822 /nfs/dbraw/zinc/20/48/22/647204822.db2.gz BUFPXHLUEOGZQS-UHFFFAOYSA-N 2 2 263.389 0.918 20 0 CCADLP [NH3+]CCCc1cn(Cc2[nH+]ccn2CC(F)F)nn1 ZINC000881361758 647305393 /nfs/dbraw/zinc/30/53/93/647305393.db2.gz CXRPLYQYWKFMRG-UHFFFAOYSA-N 2 2 270.287 0.679 20 0 CCADLP FC(F)Cn1cc[nH+]c1Cn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000881363176 647306980 /nfs/dbraw/zinc/30/69/80/647306980.db2.gz JRRBATJHPRVVTO-JTQLQIEISA-N 2 2 296.325 0.940 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[NH2+]CC2(C)C)[C@@H](C)CO1 ZINC000884401553 647728639 /nfs/dbraw/zinc/72/86/39/647728639.db2.gz TYYMYSFZIARXKT-XQQFMLRXSA-N 2 2 283.416 0.457 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[NH2+]CC2(C)C)[C@@H](C)CO1 ZINC000884401553 647728643 /nfs/dbraw/zinc/72/86/43/647728643.db2.gz TYYMYSFZIARXKT-XQQFMLRXSA-N 2 2 283.416 0.457 20 0 CCADLP O[C@@H]1C[C@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C[C@@H]1O ZINC000886254050 647940673 /nfs/dbraw/zinc/94/06/73/647940673.db2.gz UWCRTTDIZNCJLE-YSCVYTRNSA-N 2 2 279.365 0.908 20 0 CCADLP Cn1cc([C@@H]2C[N@H+](C[C@H]3C[C@@]34CCOC4)C[C@H]2[NH3+])cn1 ZINC000886840211 648024261 /nfs/dbraw/zinc/02/42/61/648024261.db2.gz WUIHZVIOUZQGOZ-LXTVHRRPSA-N 2 2 276.384 0.573 20 0 CCADLP Cn1cc([C@@H]2C[N@@H+](C[C@H]3C[C@@]34CCOC4)C[C@H]2[NH3+])cn1 ZINC000886840211 648024266 /nfs/dbraw/zinc/02/42/66/648024266.db2.gz WUIHZVIOUZQGOZ-LXTVHRRPSA-N 2 2 276.384 0.573 20 0 CCADLP Nc1cc[nH+]c(CNC(=O)NCCCn2cc[nH+]c2)c1 ZINC000887279065 648086696 /nfs/dbraw/zinc/08/66/96/648086696.db2.gz WZZREZFYMLEQCG-UHFFFAOYSA-N 2 2 274.328 0.750 20 0 CCADLP Cc1nonc1[C@@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000924950473 648391143 /nfs/dbraw/zinc/39/11/43/648391143.db2.gz PVRICNKWXGKNML-NWDGAFQWSA-N 2 2 281.404 0.912 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)N1CCOCC1 ZINC000925524876 648440896 /nfs/dbraw/zinc/44/08/96/648440896.db2.gz BDADMNXOBQTISG-CHWSQXEVSA-N 2 2 253.390 0.581 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925551806 648442789 /nfs/dbraw/zinc/44/27/89/648442789.db2.gz YURWZEXUHJXHKN-RDBSUJKOSA-N 3 2 266.433 0.482 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925551802 648442941 /nfs/dbraw/zinc/44/29/41/648442941.db2.gz YURWZEXUHJXHKN-MGPQQGTHSA-N 3 2 266.433 0.482 20 0 CCADLP Cn1ccn2c(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])nnc2c1=O ZINC000925765687 648459256 /nfs/dbraw/zinc/45/92/56/648459256.db2.gz GBVXMXNVCGHJFN-WDEREUQCSA-N 2 2 290.371 0.035 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CCc2nnn(C)c2C1 ZINC000925893072 648469011 /nfs/dbraw/zinc/46/90/11/648469011.db2.gz KHOFNIOJTUNAQD-WOPDTQHZSA-N 2 2 279.388 0.029 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2ccc(F)cn2)CC1 ZINC000926090103 648485786 /nfs/dbraw/zinc/48/57/86/648485786.db2.gz NESRCDLRXLJYSJ-UHFFFAOYSA-N 2 2 281.335 0.765 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2ccncn2)CC1 ZINC000926097349 648486737 /nfs/dbraw/zinc/48/67/37/648486737.db2.gz LROOHAIXYFOSGS-UHFFFAOYSA-N 2 2 264.333 0.021 20 0 CCADLP C[C@H](C[C@H]1CCC(=O)N1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000926449373 648503988 /nfs/dbraw/zinc/50/39/88/648503988.db2.gz FYTCEBCUTBJJJN-GMTAPVOTSA-N 2 2 262.357 0.914 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccnnc1 ZINC000926744673 648523463 /nfs/dbraw/zinc/52/34/63/648523463.db2.gz JMIUFXDCZIQHON-YPMHNXCESA-N 2 2 277.372 0.467 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccnnc1 ZINC000926744673 648523468 /nfs/dbraw/zinc/52/34/68/648523468.db2.gz JMIUFXDCZIQHON-YPMHNXCESA-N 2 2 277.372 0.467 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)C(C)(C)CO ZINC000926749991 648524443 /nfs/dbraw/zinc/52/44/43/648524443.db2.gz OFMQWTUDVJWNNY-NEPJUHHUSA-N 2 2 271.405 0.323 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)C(C)(C)CO ZINC000926749991 648524445 /nfs/dbraw/zinc/52/44/45/648524445.db2.gz OFMQWTUDVJWNNY-NEPJUHHUSA-N 2 2 271.405 0.323 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928082392 648613481 /nfs/dbraw/zinc/61/34/81/648613481.db2.gz RALJOLDMHVYZCL-RYUDHWBXSA-N 2 2 280.397 0.579 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928082392 648613484 /nfs/dbraw/zinc/61/34/84/648613484.db2.gz RALJOLDMHVYZCL-RYUDHWBXSA-N 2 2 280.397 0.579 20 0 CCADLP O[C@@H](C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1(O)CCOCC1 ZINC000929992049 648809743 /nfs/dbraw/zinc/80/97/43/648809743.db2.gz MNZPLHGUBDDLKI-OLZOCXBDSA-N 2 2 295.383 0.492 20 0 CCADLP O[C@@H](C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1(O)CCOCC1 ZINC000929992049 648809746 /nfs/dbraw/zinc/80/97/46/648809746.db2.gz MNZPLHGUBDDLKI-OLZOCXBDSA-N 2 2 295.383 0.492 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H](O)C2(O)CCCC2)CC1 ZINC000930062879 648816945 /nfs/dbraw/zinc/81/69/45/648816945.db2.gz ZWTCITPDCICJNB-CYBMUJFWSA-N 2 2 294.399 0.208 20 0 CCADLP Cc1cc(=O)[nH]c([C@H](C)[NH+]2CCC(O)(C[NH+](C)C)CC2)n1 ZINC000931481440 648994495 /nfs/dbraw/zinc/99/44/95/648994495.db2.gz IENAXLHGBDKJOP-LBPRGKRZSA-N 2 2 294.399 0.940 20 0 CCADLP Nc1cc[nH+]c2c1CN(CC[NH+]1CCOCC1)CC2 ZINC000931511915 648998741 /nfs/dbraw/zinc/99/87/41/648998741.db2.gz CXWQXIQFJVGSBD-UHFFFAOYSA-N 2 2 262.357 0.354 20 0 CCADLP C[C@@](Cn1cccn1)([NH2+]CCCn1cc[nH+]c1)C(N)=O ZINC000934221582 649162299 /nfs/dbraw/zinc/16/22/99/649162299.db2.gz PFJPODJKKLDMED-ZDUSSCGKSA-N 2 2 276.344 0.004 20 0 CCADLP CCN(CC)c1cc(N2CCN3CC[NH2+]C[C@H]3C2)nc[nH+]1 ZINC001164404880 718836830 /nfs/dbraw/zinc/83/68/30/718836830.db2.gz NMCRAVONKAYLNC-ZDUSSCGKSA-N 2 2 290.415 0.417 20 0 CCADLP CN1CC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000705328012 790448848 /nfs/dbraw/zinc/44/88/48/790448848.db2.gz PWMPKYDWPXBOIH-IRXDYDNUSA-N 2 2 289.423 0.917 20 0 CCADLP CN1CC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000705328012 790448855 /nfs/dbraw/zinc/44/88/55/790448855.db2.gz PWMPKYDWPXBOIH-IRXDYDNUSA-N 2 2 289.423 0.917 20 0 CCADLP CO[C@@H](C)C[NH2+]CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001161300242 790845524 /nfs/dbraw/zinc/84/55/24/790845524.db2.gz HULSBUPEOCTJKR-QWHCGFSZSA-N 2 2 294.399 0.576 20 0 CCADLP CS(=O)(=O)CC1(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000693221766 791001747 /nfs/dbraw/zinc/00/17/47/791001747.db2.gz DKARCSHBDDOOHE-NWDGAFQWSA-N 2 2 272.414 0.353 20 0 CCADLP CS(=O)(=O)CC1(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000693221766 791001760 /nfs/dbraw/zinc/00/17/60/791001760.db2.gz DKARCSHBDDOOHE-NWDGAFQWSA-N 2 2 272.414 0.353 20 0 CCADLP CO[C@H](C)C[NH2+]CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001167428737 791064326 /nfs/dbraw/zinc/06/43/26/791064326.db2.gz MVNVEJYGUJADTL-CHWSQXEVSA-N 2 2 282.388 0.965 20 0 CCADLP CC[C@@H]([NH2+]CCCNC(=O)C[C@@H](C)n1cc[nH+]c1)C(N)=O ZINC001167429945 791064810 /nfs/dbraw/zinc/06/48/10/791064810.db2.gz ZIBHEENNTBLNGO-VXGBXAGGSA-N 2 2 295.387 0.194 20 0 CCADLP COCCOCN1C[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001277627665 805907551 /nfs/dbraw/zinc/90/75/51/805907551.db2.gz YJVZSEZNINCXJJ-GOEBONIOSA-N 2 2 297.443 0.707 20 0 CCADLP COCCOCN1C[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001277627665 805907553 /nfs/dbraw/zinc/90/75/53/805907553.db2.gz YJVZSEZNINCXJJ-GOEBONIOSA-N 2 2 297.443 0.707 20 0 CCADLP C[NH2+][C@@]12CC[C@@]([NH2+]CC(=O)N3CC[NH+](C)CC3)(C1)CCC2 ZINC001277632026 805911013 /nfs/dbraw/zinc/91/10/13/805911013.db2.gz PAIUFLKINSTQFV-JKSUJKDBSA-N 3 2 294.443 0.415 20 0 CCADLP CC[NH2+]CCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001266748454 791207322 /nfs/dbraw/zinc/20/73/22/791207322.db2.gz FQKRUJRRNAJYSH-LLVKDONJSA-N 2 2 250.346 0.513 20 0 CCADLP CC[N@@H+]1CCO[C@@H]2CN(Cc3cccc(N)[nH+]3)C[C@@H]2C1 ZINC001233370689 806050044 /nfs/dbraw/zinc/05/00/44/806050044.db2.gz LGMUVKHRQZDKCC-GXTWGEPZSA-N 2 2 276.384 0.816 20 0 CCADLP CC[N@H+]1CCO[C@@H]2CN(Cc3cccc(N)[nH+]3)C[C@@H]2C1 ZINC001233370689 806050048 /nfs/dbraw/zinc/05/00/48/806050048.db2.gz LGMUVKHRQZDKCC-GXTWGEPZSA-N 2 2 276.384 0.816 20 0 CCADLP CC[C@@H](F)C[NH2+][C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001266982247 791418737 /nfs/dbraw/zinc/41/87/37/791418737.db2.gz ZYIYYQRKNNDNSM-VHSXEESVSA-N 2 2 256.325 0.795 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]([NH2+]CCCF)C1 ZINC001267024764 791459256 /nfs/dbraw/zinc/45/92/56/791459256.db2.gz QNBSNJHARVJJRG-LBPRGKRZSA-N 2 2 282.363 0.903 20 0 CCADLP CC(C)=CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001038139373 791532577 /nfs/dbraw/zinc/53/25/77/791532577.db2.gz BSLBTLLKRWDOAY-ZIAGYGMSSA-N 2 2 281.400 0.474 20 0 CCADLP CC(C)=CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001038139373 791532582 /nfs/dbraw/zinc/53/25/82/791532582.db2.gz BSLBTLLKRWDOAY-ZIAGYGMSSA-N 2 2 281.400 0.474 20 0 CCADLP CC(C)=CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001038139373 791532591 /nfs/dbraw/zinc/53/25/91/791532591.db2.gz BSLBTLLKRWDOAY-ZIAGYGMSSA-N 2 2 281.400 0.474 20 0 CCADLP CC(C)=CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001038139373 791532598 /nfs/dbraw/zinc/53/25/98/791532598.db2.gz BSLBTLLKRWDOAY-ZIAGYGMSSA-N 2 2 281.400 0.474 20 0 CCADLP COC(=O)C[NH+]1CCC2(CCC[N@H+](CCN(C)C)C2)CC1 ZINC001277821848 806148887 /nfs/dbraw/zinc/14/88/87/806148887.db2.gz PRUPOXKNIKGUHH-UHFFFAOYSA-N 2 2 297.443 0.899 20 0 CCADLP COC(=O)C[NH+]1CCC2(CCC[N@@H+](CCN(C)C)C2)CC1 ZINC001277821848 806148889 /nfs/dbraw/zinc/14/88/89/806148889.db2.gz PRUPOXKNIKGUHH-UHFFFAOYSA-N 2 2 297.443 0.899 20 0 CCADLP COCCC[N@@H+]1CC[C@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001233976026 806161043 /nfs/dbraw/zinc/16/10/43/806161043.db2.gz BFQJNKHNHXSWMN-ZDUSSCGKSA-N 2 2 294.399 0.912 20 0 CCADLP COCCC[N@H+]1CC[C@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001233976026 806161049 /nfs/dbraw/zinc/16/10/49/806161049.db2.gz BFQJNKHNHXSWMN-ZDUSSCGKSA-N 2 2 294.399 0.912 20 0 CCADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1C[C@@H](O)COCC(F)(F)C(F)F ZINC001246023043 807122391 /nfs/dbraw/zinc/12/23/91/807122391.db2.gz RWUQRNWZKMTHGL-IWSPIJDZSA-N 2 2 288.285 0.686 20 0 CCADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1C[C@@H](O)COCC(F)(F)C(F)F ZINC001246023043 807122395 /nfs/dbraw/zinc/12/23/95/807122395.db2.gz RWUQRNWZKMTHGL-IWSPIJDZSA-N 2 2 288.285 0.686 20 0 CCADLP C[C@@H](CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CCCO ZINC001277861048 806264026 /nfs/dbraw/zinc/26/40/26/806264026.db2.gz ALYNREJIZAZBNN-QWHCGFSZSA-N 2 2 294.399 0.264 20 0 CCADLP COCCOC[N@@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001277897754 806307403 /nfs/dbraw/zinc/30/74/03/806307403.db2.gz UPKDCWIBSJIDMR-UONOGXRCSA-N 2 2 271.405 0.175 20 0 CCADLP COCCOC[N@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001277897754 806307413 /nfs/dbraw/zinc/30/74/13/806307413.db2.gz UPKDCWIBSJIDMR-UONOGXRCSA-N 2 2 271.405 0.175 20 0 CCADLP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCNC(C)=O ZINC001277909457 806314523 /nfs/dbraw/zinc/31/45/23/806314523.db2.gz DCEAIMAWPYUWHT-GOOCMWNKSA-N 2 2 299.415 0.328 20 0 CCADLP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCNC(C)=O ZINC001277909457 806314533 /nfs/dbraw/zinc/31/45/33/806314533.db2.gz DCEAIMAWPYUWHT-GOOCMWNKSA-N 2 2 299.415 0.328 20 0 CCADLP c1cc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc(-c2nn[nH]n2)c1 ZINC001235053855 806354883 /nfs/dbraw/zinc/35/48/83/806354883.db2.gz LTLKNXRSTJTEPB-HNNXBMFYSA-N 2 2 299.382 0.004 20 0 CCADLP c1cc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc(-c2nn[nH]n2)c1 ZINC001235053855 806354892 /nfs/dbraw/zinc/35/48/92/806354892.db2.gz LTLKNXRSTJTEPB-HNNXBMFYSA-N 2 2 299.382 0.004 20 0 CCADLP c1cn(CCN2CCO[C@H]3C[N@@H+](C4CC4)C[C@@H]32)c[nH+]1 ZINC001277923580 806373624 /nfs/dbraw/zinc/37/36/24/806373624.db2.gz CCQFTSHFAUPMJA-KBPBESRZSA-N 2 2 262.357 0.431 20 0 CCADLP c1cn(CCN2CCO[C@H]3C[N@H+](C4CC4)C[C@@H]32)c[nH+]1 ZINC001277923580 806373633 /nfs/dbraw/zinc/37/36/33/806373633.db2.gz CCQFTSHFAUPMJA-KBPBESRZSA-N 2 2 262.357 0.431 20 0 CCADLP [NH3+]CC[NH+]1C[C@@H]2CN(C(=O)c3ccccc3)C[C@H]2C1 ZINC001235475263 806428894 /nfs/dbraw/zinc/42/88/94/806428894.db2.gz VHOZGRGDKSYGSD-ZIAGYGMSSA-N 2 2 259.353 0.649 20 0 CCADLP [NH3+]CCS(=O)(=O)Nc1cccc(Cn2cc[nH+]c2)c1 ZINC000722232820 806442881 /nfs/dbraw/zinc/44/28/81/806442881.db2.gz HVJNWKZILWXPPH-UHFFFAOYSA-N 2 2 280.353 0.632 20 0 CCADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](CCCO)C[C@@H]3C2)cn1 ZINC001235531713 806447460 /nfs/dbraw/zinc/44/74/60/806447460.db2.gz UESFAUPKIRXCOO-HUUCEWRRSA-N 2 2 278.400 0.556 20 0 CCADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](CCCO)C[C@@H]3C2)cn1 ZINC001235531713 806447463 /nfs/dbraw/zinc/44/74/63/806447463.db2.gz UESFAUPKIRXCOO-HUUCEWRRSA-N 2 2 278.400 0.556 20 0 CCADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](CCCO)C[C@@H]3C2)cn1 ZINC001235531713 806447469 /nfs/dbraw/zinc/44/74/69/806447469.db2.gz UESFAUPKIRXCOO-HUUCEWRRSA-N 2 2 278.400 0.556 20 0 CCADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](CCCO)C[C@@H]3C2)cn1 ZINC001235531713 806447475 /nfs/dbraw/zinc/44/74/75/806447475.db2.gz UESFAUPKIRXCOO-HUUCEWRRSA-N 2 2 278.400 0.556 20 0 CCADLP CC(C)CC(=O)NC[C@]12COC[C@H]1C[N@H+](C[C@@H](C)[NH3+])C2 ZINC001235556727 806455688 /nfs/dbraw/zinc/45/56/88/806455688.db2.gz DCDIVRBAMSKHMU-NFAWXSAZSA-N 2 2 283.416 0.444 20 0 CCADLP CC(C)CC(=O)NC[C@]12COC[C@H]1C[N@@H+](C[C@@H](C)[NH3+])C2 ZINC001235556727 806455694 /nfs/dbraw/zinc/45/56/94/806455694.db2.gz DCDIVRBAMSKHMU-NFAWXSAZSA-N 2 2 283.416 0.444 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+]1CC[C@H]2[C@@H](CC(=O)NCC3CC3)OC[C@H]2C1 ZINC001235567114 806458100 /nfs/dbraw/zinc/45/81/00/806458100.db2.gz DPBYQURBGCEFAP-NMFUWQPSSA-N 2 2 295.427 0.587 20 0 CCADLP C[C@@H]([NH3+])C[N@H+]1CC[C@H]2[C@@H](CC(=O)NCC3CC3)OC[C@H]2C1 ZINC001235567114 806458105 /nfs/dbraw/zinc/45/81/05/806458105.db2.gz DPBYQURBGCEFAP-NMFUWQPSSA-N 2 2 295.427 0.587 20 0 CCADLP CC(C)C(=O)N[C@H]1COCCC12CC[NH+](C[C@@H](C)[NH3+])CC2 ZINC001235595016 806468101 /nfs/dbraw/zinc/46/81/01/806468101.db2.gz AXGJIWSABSJHPU-KGLIPLIRSA-N 2 2 297.443 0.977 20 0 CCADLP C[C@@H](O)C[NH+]1CC2(CCN2C(=O)[C@@H]2CC3CC[NH+]2CC3)C1 ZINC001277955738 806471428 /nfs/dbraw/zinc/47/14/28/806471428.db2.gz UILFXJLWASQKTL-OCCSQVGLSA-N 2 2 293.411 0.138 20 0 CCADLP [NH3+]CC[N@@H+]1C[C@@H]2C[C@H](C(=O)NC3CCC3)C[C@@H]2C1 ZINC001235624881 806476958 /nfs/dbraw/zinc/47/69/58/806476958.db2.gz MSWRRHQJZUDWED-CNDDSTCGSA-N 2 2 251.374 0.572 20 0 CCADLP [NH3+]CC[N@H+]1C[C@@H]2C[C@H](C(=O)NC3CCC3)C[C@@H]2C1 ZINC001235624881 806476962 /nfs/dbraw/zinc/47/69/62/806476962.db2.gz MSWRRHQJZUDWED-CNDDSTCGSA-N 2 2 251.374 0.572 20 0 CCADLP F[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCC2(CC1)OCCO2 ZINC001246084586 807147189 /nfs/dbraw/zinc/14/71/89/807147189.db2.gz FYFJCSXVVMFFAJ-NEPJUHHUSA-N 2 2 258.337 0.962 20 0 CCADLP C[C@H]([NH3+])C[NH+]1CCC(NC(=O)C2CCOCC2)CC1 ZINC001235704811 806496349 /nfs/dbraw/zinc/49/63/49/806496349.db2.gz BBCBFMCWPYELRB-NSHDSACASA-N 2 2 269.389 0.341 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@H]2CCCC[NH2+]C2)C[NH2+]1 ZINC001246092545 807150726 /nfs/dbraw/zinc/15/07/26/807150726.db2.gz SOYZKWSMQKQANV-AVGNSLFASA-N 2 2 283.416 0.790 20 0 CCADLP COC(=O)c1ccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])[nH]1 ZINC001235997972 806525063 /nfs/dbraw/zinc/52/50/63/806525063.db2.gz IFXQFWVEBSALJR-HWYHXSKPSA-N 2 2 279.340 0.207 20 0 CCADLP COC(=O)c1ccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])[nH]1 ZINC001235997972 806525068 /nfs/dbraw/zinc/52/50/68/806525068.db2.gz IFXQFWVEBSALJR-HWYHXSKPSA-N 2 2 279.340 0.207 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1c[nH+]c2ccc(C)cn12 ZINC001236197477 806550564 /nfs/dbraw/zinc/55/05/64/806550564.db2.gz QNTPHBPJXIHDGM-YPMHNXCESA-N 2 2 288.351 0.717 20 0 CCADLP COC(=O)[C@H]1CN(Cc2[nH+]c3ccccn3c2C)C[C@H]1[NH3+] ZINC001236339255 806570129 /nfs/dbraw/zinc/57/01/29/806570129.db2.gz CXOPZJWXEXPVOT-NWDGAFQWSA-N 2 2 288.351 0.575 20 0 CCADLP C[N@H+](C[C@@H]1C[NH2+]C(C)(C)O1)[C@@H]1CCC2(C1)OCCO2 ZINC001236411728 806588899 /nfs/dbraw/zinc/58/88/99/806588899.db2.gz OSXALDRXNJOIBG-NEPJUHHUSA-N 2 2 270.373 0.938 20 0 CCADLP C[N@@H+](C[C@@H]1C[NH2+]C(C)(C)O1)[C@@H]1CCC2(C1)OCCO2 ZINC001236411728 806588903 /nfs/dbraw/zinc/58/89/03/806588903.db2.gz OSXALDRXNJOIBG-NEPJUHHUSA-N 2 2 270.373 0.938 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC[C@H](n3ccnn3)C2)O1 ZINC001236433861 806590979 /nfs/dbraw/zinc/59/09/79/806590979.db2.gz KVPZEXIZKFFWOA-RYUDHWBXSA-N 2 2 265.361 0.640 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC[C@H](n3ccnn3)C2)O1 ZINC001236433861 806590988 /nfs/dbraw/zinc/59/09/88/806590988.db2.gz KVPZEXIZKFFWOA-RYUDHWBXSA-N 2 2 265.361 0.640 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CCC[C@@H]1C[NH2+]CCCO ZINC001277991134 806598752 /nfs/dbraw/zinc/59/87/52/806598752.db2.gz SYAMQZJVMOHTNN-CQSZACIVSA-N 2 2 294.399 0.316 20 0 CCADLP FC(F)(F)[C@H]1C[N@H+](CC2(F)CC[NH2+]CC2)CCN1 ZINC001236982348 806621033 /nfs/dbraw/zinc/62/10/33/806621033.db2.gz QOQCUBWCJDXRFF-SECBINFHSA-N 2 2 269.286 0.914 20 0 CCADLP FC(F)(F)[C@H]1C[N@@H+](CC2(F)CC[NH2+]CC2)CCN1 ZINC001236982348 806621039 /nfs/dbraw/zinc/62/10/39/806621039.db2.gz QOQCUBWCJDXRFF-SECBINFHSA-N 2 2 269.286 0.914 20 0 CCADLP CN1C(=O)CC[C@@H]2C[N@@H+](C[C@@H]3C[NH2+]C(C)(C)O3)CC[C@@H]21 ZINC001237065599 806636797 /nfs/dbraw/zinc/63/67/97/806636797.db2.gz WEDBFZLWSNQDPE-AGIUHOORSA-N 2 2 281.400 0.654 20 0 CCADLP CN1C(=O)CC[C@@H]2C[N@H+](C[C@@H]3C[NH2+]C(C)(C)O3)CC[C@@H]21 ZINC001237065599 806636798 /nfs/dbraw/zinc/63/67/98/806636798.db2.gz WEDBFZLWSNQDPE-AGIUHOORSA-N 2 2 281.400 0.654 20 0 CCADLP C[C@@H]1C[N@H+](C2CN(C[C@@H]3C[NH2+]C(C)(C)O3)C2)C[C@H](C)O1 ZINC001237109131 806640341 /nfs/dbraw/zinc/64/03/41/806640341.db2.gz WAOUVKYZJWLCOI-SCRDCRAPSA-N 2 2 283.416 0.504 20 0 CCADLP C[C@@H]1C[N@@H+](C2CN(C[C@@H]3C[NH2+]C(C)(C)O3)C2)C[C@H](C)O1 ZINC001237109131 806640345 /nfs/dbraw/zinc/64/03/45/806640345.db2.gz WAOUVKYZJWLCOI-SCRDCRAPSA-N 2 2 283.416 0.504 20 0 CCADLP [NH3+][C@@H]1NC(CN2CC[C@H]3[NH2+]CCC[C@H]3C2)=CS1 ZINC001237379819 806657023 /nfs/dbraw/zinc/65/70/23/806657023.db2.gz DBLJGRGVFIMBHA-MVWJERBFSA-N 2 2 254.403 0.480 20 0 CCADLP O=C(NCCCCn1cc[nH+]c1)[C@]12C[C@H]1CCC[NH2+]2 ZINC001121989289 799115083 /nfs/dbraw/zinc/11/50/83/799115083.db2.gz SDSGFTJYSCENDH-OCCSQVGLSA-N 2 2 262.357 0.922 20 0 CCADLP C[C@@H]([NH3+])CONC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC001122024399 799125673 /nfs/dbraw/zinc/12/56/73/799125673.db2.gz XIPOSETVUDZCAA-LLVKDONJSA-N 2 2 295.387 0.027 20 0 CCADLP C[NH+](C)CCCN1CC[NH+](Cc2c[nH]ccc2=O)CC1 ZINC001237836774 806722649 /nfs/dbraw/zinc/72/26/49/806722649.db2.gz HQYDXBKCDMHFKP-UHFFFAOYSA-N 2 2 278.400 0.444 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CC[NH2+]CC1CC1 ZINC001122526347 799256903 /nfs/dbraw/zinc/25/69/03/799256903.db2.gz UFUNFUCXIWRYIU-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP CNc1cc(CNC(=O)NC[C@H]2CC[N@@H+]2C)cc[nH+]1 ZINC001123621778 799442385 /nfs/dbraw/zinc/44/23/85/799442385.db2.gz MVFLGDXICYCCPN-LLVKDONJSA-N 2 2 263.345 0.627 20 0 CCADLP CNc1cc(CNC(=O)NC[C@H]2CC[N@H+]2C)cc[nH+]1 ZINC001123621778 799442390 /nfs/dbraw/zinc/44/23/90/799442390.db2.gz MVFLGDXICYCCPN-LLVKDONJSA-N 2 2 263.345 0.627 20 0 CCADLP C[C@]1(CO)CC[N@H+](Cc2cccc3c[nH+]cn32)C[C@@H]1O ZINC001238108443 806752072 /nfs/dbraw/zinc/75/20/72/806752072.db2.gz WOHYEPZSGNBYNS-LSDHHAIUSA-N 2 2 275.352 0.900 20 0 CCADLP C[C@]1(CO)CC[N@@H+](Cc2cccc3c[nH+]cn32)C[C@@H]1O ZINC001238108443 806752075 /nfs/dbraw/zinc/75/20/75/806752075.db2.gz WOHYEPZSGNBYNS-LSDHHAIUSA-N 2 2 275.352 0.900 20 0 CCADLP CCC[NH+]1CC2(C1)CC[C@H](C(=O)NC1CC[NH+](C)CC1)O2 ZINC001278192134 806755240 /nfs/dbraw/zinc/75/52/40/806755240.db2.gz UJDNOXZVHRKKIP-CQSZACIVSA-N 2 2 295.427 0.840 20 0 CCADLP CCC[NH+]1C[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001161177077 799683200 /nfs/dbraw/zinc/68/32/00/799683200.db2.gz ZMAKPGPDIWAAFS-OBJOEFQTSA-N 3 2 291.399 0.080 20 0 CCADLP C[NH+](C)CCN1CC[NH+](Cc2cc(O)cc(O)c2)CC1 ZINC001138323076 799719333 /nfs/dbraw/zinc/71/93/33/799719333.db2.gz GEHPWTBFDZVLDY-UHFFFAOYSA-N 2 2 279.384 0.777 20 0 CCADLP COCC[N@H+](C[C@@H]1CCC(=O)N1)C1CC[NH+](C)CC1 ZINC001202864389 799750559 /nfs/dbraw/zinc/75/05/59/799750559.db2.gz OTXJZLKXWOZLLP-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP COCC[N@@H+](C[C@@H]1CCC(=O)N1)C1CC[NH+](C)CC1 ZINC001202864389 799750563 /nfs/dbraw/zinc/75/05/63/799750563.db2.gz OTXJZLKXWOZLLP-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP C[NH+]1CCN(C2C[NH+](Cc3ccc(=O)[nH]c3)C2)CC1 ZINC001139470153 799818724 /nfs/dbraw/zinc/81/87/24/799818724.db2.gz OXCLKQONAXKHDG-UHFFFAOYSA-N 2 2 262.357 0.219 20 0 CCADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC001140021712 799870832 /nfs/dbraw/zinc/87/08/32/799870832.db2.gz PFASVJOUHFIWAU-HOCLYGCPSA-N 2 2 287.363 0.966 20 0 CCADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1C[C@H](O)[C@H](CO)C1 ZINC001140021712 799870841 /nfs/dbraw/zinc/87/08/41/799870841.db2.gz PFASVJOUHFIWAU-HOCLYGCPSA-N 2 2 287.363 0.966 20 0 CCADLP CNc1nccc(C[NH+]2CCN(CCC[NH+](C)C)CC2)n1 ZINC001140042359 799874250 /nfs/dbraw/zinc/87/42/50/799874250.db2.gz JDSIHWHVNKIHQI-UHFFFAOYSA-N 2 2 292.431 0.588 20 0 CCADLP O=C(NCCC[NH2+]CC1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001161209285 799980561 /nfs/dbraw/zinc/98/05/61/799980561.db2.gz GJOYZGPYKOKEAM-ZDUSSCGKSA-N 2 2 276.384 0.951 20 0 CCADLP C[NH+]1CCN(C(=O)N2CCC[C@@]3(C2)C[N@H+](C)CCO3)CC1 ZINC001278271195 806800905 /nfs/dbraw/zinc/80/09/05/806800905.db2.gz ZPUTWGJNNKHUPH-HNNXBMFYSA-N 2 2 296.415 0.150 20 0 CCADLP C[NH+]1CCN(C(=O)N2CCC[C@@]3(C2)C[N@@H+](C)CCO3)CC1 ZINC001278271195 806800911 /nfs/dbraw/zinc/80/09/11/806800911.db2.gz ZPUTWGJNNKHUPH-HNNXBMFYSA-N 2 2 296.415 0.150 20 0 CCADLP CCC[C@H]([NH3+])c1cn(CC[NH+]2CCN(C)CC2)nn1 ZINC000229964186 800121376 /nfs/dbraw/zinc/12/13/76/800121376.db2.gz MFRLWKWGUQPZFE-LBPRGKRZSA-N 2 2 266.393 0.325 20 0 CCADLP [NH3+]CC[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC001238839977 806811983 /nfs/dbraw/zinc/81/19/83/806811983.db2.gz XWJGWBKHXZRLJO-UHFFFAOYSA-N 2 2 277.777 0.167 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]Cc1ccns1 ZINC001149570802 800276708 /nfs/dbraw/zinc/27/67/08/800276708.db2.gz ANICIGRJXFKFTR-UHFFFAOYSA-N 2 2 293.396 0.715 20 0 CCADLP CC(C)[N@@H+]1CCCO[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001150052830 800314126 /nfs/dbraw/zinc/31/41/26/800314126.db2.gz BFOWPDCZLGRSOV-AWEZNQCLSA-N 2 2 294.399 0.889 20 0 CCADLP CC(C)[N@H+]1CCCO[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001150052830 800314133 /nfs/dbraw/zinc/31/41/33/800314133.db2.gz BFOWPDCZLGRSOV-AWEZNQCLSA-N 2 2 294.399 0.889 20 0 CCADLP CC[N@@H+]1CCCO[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001150054431 800314279 /nfs/dbraw/zinc/31/42/79/800314279.db2.gz UARYAMLLGOZQSK-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP CC[N@H+]1CCCO[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001150054431 800314287 /nfs/dbraw/zinc/31/42/87/800314287.db2.gz UARYAMLLGOZQSK-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP CC(C)[N@@H+]1CCCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150496601 800341810 /nfs/dbraw/zinc/34/18/10/800341810.db2.gz FJBQINXAIKKXMV-GFCCVEGCSA-N 2 2 280.372 0.568 20 0 CCADLP CC(C)[N@H+]1CCCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150496601 800341815 /nfs/dbraw/zinc/34/18/15/800341815.db2.gz FJBQINXAIKKXMV-GFCCVEGCSA-N 2 2 280.372 0.568 20 0 CCADLP CCC[N@@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150825398 800370979 /nfs/dbraw/zinc/37/09/79/800370979.db2.gz RVSARQRXPUINHE-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP CCC[N@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150825398 800370986 /nfs/dbraw/zinc/37/09/86/800370986.db2.gz RVSARQRXPUINHE-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP Cc1cnc([C@H](C)[NH2+]CCNC(=O)C[NH+]2CCCC2)o1 ZINC001151097174 800398265 /nfs/dbraw/zinc/39/82/65/800398265.db2.gz KITWYPBPOQDYEN-LBPRGKRZSA-N 2 2 280.372 0.846 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[NH2+][C@@H](C)c1ncccn1 ZINC001151121507 800400987 /nfs/dbraw/zinc/40/09/87/800400987.db2.gz HBFKKOYOYCNSNQ-NSHDSACASA-N 2 2 288.355 0.449 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1csnn1 ZINC001152452016 800523773 /nfs/dbraw/zinc/52/37/73/800523773.db2.gz PWOKUROBJWXBKR-LBPRGKRZSA-N 2 2 297.428 0.618 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]Cc1ccc(F)cc1 ZINC001153487947 800633955 /nfs/dbraw/zinc/63/39/55/800633955.db2.gz VAUNTLRIGJPMNE-UHFFFAOYSA-N 2 2 276.315 0.928 20 0 CCADLP CCOC(=O)[C@]12CN(c3[nH+]cccc3N)C[C@H]1C[NH2+]CC2 ZINC001154687315 800829760 /nfs/dbraw/zinc/82/97/60/800829760.db2.gz KMULUXARPYWQBQ-IAQYHMDHSA-N 2 2 290.367 0.643 20 0 CCADLP Cc1nc(N(C)C)nc(-n2c[nH+]cc2C2CC[NH2+]CC2)n1 ZINC001155057797 800901827 /nfs/dbraw/zinc/90/18/27/800901827.db2.gz OTYDRXMDWLVUOQ-UHFFFAOYSA-N 2 2 287.371 0.899 20 0 CCADLP CN(C)c1cc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)[nH+]cn1 ZINC001155514676 800996273 /nfs/dbraw/zinc/99/62/73/800996273.db2.gz JCIGTZBEUBYAEZ-UTUOFQBUSA-N 2 2 277.372 0.579 20 0 CCADLP CN(C)c1cc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)nc[nH+]1 ZINC001155514676 800996276 /nfs/dbraw/zinc/99/62/76/800996276.db2.gz JCIGTZBEUBYAEZ-UTUOFQBUSA-N 2 2 277.372 0.579 20 0 CCADLP CCOC(=O)Cc1ccc[nH+]c1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001155542010 801002859 /nfs/dbraw/zinc/00/28/59/801002859.db2.gz WAVYPIYLBRRADO-IUODEOHRSA-N 2 2 291.351 0.730 20 0 CCADLP C[C@H]1CCCN(c2cc(N(CC[NH3+])CCO)nc[nH+]2)C1 ZINC001155953897 801085607 /nfs/dbraw/zinc/08/56/07/801085607.db2.gz SMICWNJATPJRPG-LBPRGKRZSA-N 2 2 279.388 0.470 20 0 CCADLP Cc1nc(-n2cncn2)cc(N(CCC[NH3+])C(C)C)[nH+]1 ZINC001156124743 801113986 /nfs/dbraw/zinc/11/39/86/801113986.db2.gz VAHQRCBATBLAHZ-UHFFFAOYSA-N 2 2 275.360 0.929 20 0 CCADLP CCc1cc(=NOCC[NH3+])[nH+]c(N2CCOCC2)[nH]1 ZINC001156294975 801148099 /nfs/dbraw/zinc/14/80/99/801148099.db2.gz VMYWNQKWUGGCAF-UHFFFAOYSA-N 2 2 267.333 0.178 20 0 CCADLP CC[N@H+](CCCO)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157247885 801332980 /nfs/dbraw/zinc/33/29/80/801332980.db2.gz AOVDKULDJSJEGC-CQSZACIVSA-N 2 2 296.415 0.872 20 0 CCADLP CC[N@@H+](CCCO)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157247885 801332989 /nfs/dbraw/zinc/33/29/89/801332989.db2.gz AOVDKULDJSJEGC-CQSZACIVSA-N 2 2 296.415 0.872 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCCC[NH2+]C[C@@H]1CCOC1 ZINC001157264115 801335617 /nfs/dbraw/zinc/33/56/17/801335617.db2.gz DBOFFOYBTKUIIC-LBPRGKRZSA-N 2 2 280.372 0.475 20 0 CCADLP C[NH2+][C@H](C(=O)N1CC[NH+](C)CC1)[C@@H](C)OC(C)(C)C ZINC001157451514 801386856 /nfs/dbraw/zinc/38/68/56/801386856.db2.gz WTJBIVHFXNAPFP-NEPJUHHUSA-N 2 2 271.405 0.552 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]([NH3+])Cc2ccnc3ccccc23)CC1 ZINC001157451386 801387429 /nfs/dbraw/zinc/38/74/29/801387429.db2.gz USBLCWQGXFCRPX-HNNXBMFYSA-N 2 2 298.390 0.879 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC001157579334 801425650 /nfs/dbraw/zinc/42/56/50/801425650.db2.gz LUUUFYNYBHNFKN-GJZGRUSLSA-N 3 2 294.443 0.258 20 0 CCADLP C[C@@]1(O)CCN(C(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)C[C@@H]1F ZINC001157900756 801513264 /nfs/dbraw/zinc/51/32/64/801513264.db2.gz QPXYLQVSPAURAQ-VNHYZAJKSA-N 2 2 295.358 0.580 20 0 CCADLP C[C@@]1(CF)CC(F)(F)CN1C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001157952150 801537129 /nfs/dbraw/zinc/53/71/29/801537129.db2.gz OAPFDMTWWSXRAT-WEDXCCLWSA-N 2 2 265.279 0.271 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158160402 801578494 /nfs/dbraw/zinc/57/84/94/801578494.db2.gz ISGYFQWIBSRXSR-ZFWWWQNUSA-N 3 2 291.399 0.035 20 0 CCADLP Cc1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c(F)c1 ZINC001158203277 801591387 /nfs/dbraw/zinc/59/13/87/801591387.db2.gz HOHLTBNDOZLBDY-SECBINFHSA-N 2 2 250.277 0.577 20 0 CCADLP Cc1nc(C)c(C)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158209580 801597213 /nfs/dbraw/zinc/59/72/13/801597213.db2.gz YUVHTVFDYMLERS-LLVKDONJSA-N 2 2 261.329 0.450 20 0 CCADLP Cc1cncc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158259345 801608999 /nfs/dbraw/zinc/60/89/99/801608999.db2.gz QWOLZXZFLCSLRS-GFCCVEGCSA-N 2 2 261.373 0.787 20 0 CCADLP Cc1cncc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158259345 801609004 /nfs/dbraw/zinc/60/90/04/801609004.db2.gz QWOLZXZFLCSLRS-GFCCVEGCSA-N 2 2 261.373 0.787 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc([C@@H](N)C[NH3+])cc1 ZINC001158630120 801675483 /nfs/dbraw/zinc/67/54/83/801675483.db2.gz LZXYYXJYQLOBRE-ZOWXZIJZSA-N 2 2 290.411 0.810 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc([C@@H](N)C[NH3+])cc1 ZINC001158630120 801675487 /nfs/dbraw/zinc/67/54/87/801675487.db2.gz LZXYYXJYQLOBRE-ZOWXZIJZSA-N 2 2 290.411 0.810 20 0 CCADLP COCc1cc[nH+]c(NCCOCCOCC[NH3+])c1 ZINC001159444907 801808925 /nfs/dbraw/zinc/80/89/25/801808925.db2.gz PWJAZQMBHRLWNL-UHFFFAOYSA-N 2 2 269.345 0.632 20 0 CCADLP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)[C@@H]1C[NH2+]CCO1 ZINC001159496044 801821092 /nfs/dbraw/zinc/82/10/92/801821092.db2.gz BGDADRHYAPPAIG-JSGCOSHPSA-N 3 2 291.399 0.280 20 0 CCADLP [NH3+]CCC[C@H]([NH3+])Nc1cccc(N2CCC([NH3+])CC2)[nH+]1 ZINC001159787334 801871689 /nfs/dbraw/zinc/87/16/89/801871689.db2.gz ULTKSMRPNPGPKP-GFCCVEGCSA-N 4 2 278.404 0.445 20 0 CCADLP COCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160326606 801928861 /nfs/dbraw/zinc/92/88/61/801928861.db2.gz OFVMHPCSFLQCRS-GHMZBOCLSA-N 2 2 266.345 0.256 20 0 CCADLP COCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160326606 801928868 /nfs/dbraw/zinc/92/88/68/801928868.db2.gz OFVMHPCSFLQCRS-GHMZBOCLSA-N 2 2 266.345 0.256 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001160461656 801945011 /nfs/dbraw/zinc/94/50/11/801945011.db2.gz VEEBEQSSYHTUSF-OLZOCXBDSA-N 3 2 268.405 0.139 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CCC3(C2)OCCO3)cc1 ZINC001160470573 801945897 /nfs/dbraw/zinc/94/58/97/801945897.db2.gz BNERTMRXFVOXQK-ZDUSSCGKSA-N 2 2 291.351 0.234 20 0 CCADLP COc1cnc(Cl)nc1N[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160508261 801953222 /nfs/dbraw/zinc/95/32/22/801953222.db2.gz FHAHSZOYDCBLEW-CYBMUJFWSA-N 2 2 297.790 0.974 20 0 CCADLP O=C(N1CC[C@H](c2cccnc2)C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160525416 801961340 /nfs/dbraw/zinc/96/13/40/801961340.db2.gz ZGMOXNFCYJZJMC-OFQRWUPVSA-N 2 2 286.379 0.349 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@H](c2ccccc2F)C1 ZINC001160535702 801964615 /nfs/dbraw/zinc/96/46/15/801964615.db2.gz ULTDFAARBMYEEB-JKOKRWQUSA-N 2 2 277.343 0.688 20 0 CCADLP O=C(N1[C@@H]2CCC[C@H]1CC(=O)C2)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160631599 801983373 /nfs/dbraw/zinc/98/33/73/801983373.db2.gz OURQVOGJTVWJLW-UUIJZJDISA-N 2 2 277.368 0.051 20 0 CCADLP CC(C)[C@@H]1COCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001160669333 801996106 /nfs/dbraw/zinc/99/61/06/801996106.db2.gz BFBNBVNYVNBIRH-STQMWFEESA-N 2 2 280.372 0.173 20 0 CCADLP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001160694125 802002546 /nfs/dbraw/zinc/00/25/46/802002546.db2.gz REAZQMPOJANLER-OLZOCXBDSA-N 3 2 293.415 0.962 20 0 CCADLP O=C([C@H]1CC[NH2+]C[C@H]1F)N1CCC(n2cc[nH+]c2)CC1 ZINC001160727071 802012424 /nfs/dbraw/zinc/01/24/24/802012424.db2.gz YRPWOZDHZNGNTF-QWHCGFSZSA-N 2 2 280.347 0.994 20 0 CCADLP Cc1ccc2[nH]cc(CN(C)C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])c2c1 ZINC001160726561 802012747 /nfs/dbraw/zinc/01/27/47/802012747.db2.gz PYGLRAFKCSGMBO-KBPBESRZSA-N 2 2 286.379 0.981 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(n2cccn2)CC1 ZINC001160846396 802028529 /nfs/dbraw/zinc/02/85/29/802028529.db2.gz QMKWUYZDKGCQQO-ZDUSSCGKSA-N 2 2 288.355 0.340 20 0 CCADLP O=C([C@@H]1CC[NH2+]1)N1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC001160849646 802032047 /nfs/dbraw/zinc/03/20/47/802032047.db2.gz UAGHXCKUDAOIEC-LSDHHAIUSA-N 2 2 271.364 0.790 20 0 CCADLP O=C([C@@H]1CC[NH2+]1)N1CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC001160849646 802032053 /nfs/dbraw/zinc/03/20/53/802032053.db2.gz UAGHXCKUDAOIEC-LSDHHAIUSA-N 2 2 271.364 0.790 20 0 CCADLP Cc1[nH]c2nc[nH+]c(NCCN3CC[NH2+]CC3=O)c2c1C ZINC001161019673 802065148 /nfs/dbraw/zinc/06/51/48/802065148.db2.gz SDQKNDKEHDTMNL-UHFFFAOYSA-N 2 2 288.355 0.418 20 0 CCADLP CC(=O)[C@H]1CCN(C(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)C1 ZINC001161037902 802072536 /nfs/dbraw/zinc/07/25/36/802072536.db2.gz BMDJFODNBNUQJV-KBPBESRZSA-N 2 2 275.352 0.696 20 0 CCADLP Cc1nc(NCCN(CC[NH3+])N(O)N=O)cc(C(C)C)[nH+]1 ZINC001161087027 802086821 /nfs/dbraw/zinc/08/68/21/802086821.db2.gz GHEPAGIYLLQYTI-UHFFFAOYSA-N 2 2 297.363 0.869 20 0 CCADLP O=C(NCCC[NH2+]CC1CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001161316067 802125756 /nfs/dbraw/zinc/12/57/56/802125756.db2.gz VSDOIRKPVNFTKT-ZDUSSCGKSA-N 2 2 276.384 0.951 20 0 CCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCCC[NH2+]CCF)C2 ZINC001161324096 802126536 /nfs/dbraw/zinc/12/65/36/802126536.db2.gz UDSWGBXCWSRMRH-LLVKDONJSA-N 2 2 282.363 0.888 20 0 CCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCCC[NH2+]CCF)CC2 ZINC001161324096 802126540 /nfs/dbraw/zinc/12/65/40/802126540.db2.gz UDSWGBXCWSRMRH-LLVKDONJSA-N 2 2 282.363 0.888 20 0 CCADLP CCN(C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)[C@H]1CCC[NH2+]C1 ZINC001161345167 802135069 /nfs/dbraw/zinc/13/50/69/802135069.db2.gz ASYZJRUJQSKKIW-GJZGRUSLSA-N 3 2 290.411 0.859 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC001161417441 802151203 /nfs/dbraw/zinc/15/12/03/802151203.db2.gz VAYLWFWPTLNSJL-YJNKXOJESA-N 3 2 288.395 0.454 20 0 CCADLP NC[C@@H]([NH3+])c1ccc(C(=O)N2CC[N@@H+]3CC[C@H]3C2)cc1 ZINC001161424118 802153060 /nfs/dbraw/zinc/15/30/60/802153060.db2.gz ZDQKWPNGCWFPKL-UONOGXRCSA-N 2 2 274.368 0.175 20 0 CCADLP NC[C@@H]([NH3+])c1ccc(C(=O)N2CC[N@H+]3CC[C@H]3C2)cc1 ZINC001161424118 802153063 /nfs/dbraw/zinc/15/30/63/802153063.db2.gz ZDQKWPNGCWFPKL-UONOGXRCSA-N 2 2 274.368 0.175 20 0 CCADLP NC(=O)c1c[nH]c2nc[nH+]c(N[C@H]3CCC[C@@H]([NH3+])C3)c12 ZINC001162396828 802335053 /nfs/dbraw/zinc/33/50/53/802335053.db2.gz OAXNLUVFFRKCFR-SFYZADRCSA-N 2 2 274.328 0.739 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCCC[NH2+]Cc1nncs1 ZINC001162606615 802376557 /nfs/dbraw/zinc/37/65/57/802376557.db2.gz SVXNWGUXFPIPAF-UHFFFAOYSA-N 2 2 294.384 0.339 20 0 CCADLP Cc1cc(C[NH2+]CCCNC(=O)Cn2c[nH+]cc2C)no1 ZINC001162628565 802379878 /nfs/dbraw/zinc/37/98/78/802379878.db2.gz VLMHFCNSURRBTP-UHFFFAOYSA-N 2 2 291.355 0.784 20 0 CCADLP C1=C[C@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)[C@H]2C[NH2+]C[C@H]12 ZINC001162797653 802421145 /nfs/dbraw/zinc/42/11/45/802421145.db2.gz OEZNLFUTIHRJAZ-QEJZJMRPSA-N 3 2 285.395 0.677 20 0 CCADLP COc1[nH+]ccc(NCc2nnc3n2CCC[NH2+]C3)c1N ZINC001163017670 802460939 /nfs/dbraw/zinc/46/09/39/802460939.db2.gz PSKQENOYUXIDKR-UHFFFAOYSA-N 2 2 289.343 0.369 20 0 CCADLP C[N@@H+]1CCc2ncnc(N[C@H]3COCCC34C[NH2+]C4)c2C1 ZINC001163073579 802474231 /nfs/dbraw/zinc/47/42/31/802474231.db2.gz MGJSDENNDBHZQM-ZDUSSCGKSA-N 2 2 289.383 0.255 20 0 CCADLP C[N@H+]1CCc2ncnc(N[C@H]3COCCC34C[NH2+]C4)c2C1 ZINC001163073579 802474238 /nfs/dbraw/zinc/47/42/38/802474238.db2.gz MGJSDENNDBHZQM-ZDUSSCGKSA-N 2 2 289.383 0.255 20 0 CCADLP Cn1c[nH+]c2ccc(N[C@@]34CC[NH2+][C@H]3CC(=O)N4)cc21 ZINC001163247738 802516255 /nfs/dbraw/zinc/51/62/55/802516255.db2.gz FCNFYEPITFZOOP-GXTWGEPZSA-N 2 2 271.324 0.563 20 0 CCADLP C[N@H+](CCF)CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001265003872 809690387 /nfs/dbraw/zinc/69/03/87/809690387.db2.gz CMPQBVHDFPRWNI-GFCCVEGCSA-N 2 2 282.363 0.853 20 0 CCADLP C[N@@H+](CCF)CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001265003872 809690389 /nfs/dbraw/zinc/69/03/89/809690389.db2.gz CMPQBVHDFPRWNI-GFCCVEGCSA-N 2 2 282.363 0.853 20 0 CCADLP CO[C@@H]1CN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)C[C@@H]1F ZINC001164129906 802672464 /nfs/dbraw/zinc/67/24/64/802672464.db2.gz SATIQLMKSCILRU-QWHCGFSZSA-N 2 2 280.347 0.664 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Nc2c[nH+]c(N(C)C)cc2C)C[NH2+]1 ZINC001164304649 802714803 /nfs/dbraw/zinc/71/48/03/802714803.db2.gz BZDXVFAMRHYLOY-QWRGUYRKSA-N 2 2 278.356 0.771 20 0 CCADLP Cc1cnc(N2CC[NH2+]CC(F)(F)C2)c(C[NH3+])c1 ZINC001164498055 802749440 /nfs/dbraw/zinc/74/94/40/802749440.db2.gz ONHLGKNPIAFGSS-UHFFFAOYSA-N 2 2 256.300 0.894 20 0 CCADLP COCCC[NH+]1CCN(c2cc(N)[nH+]cn2)CC1 ZINC001165096835 802780255 /nfs/dbraw/zinc/78/02/55/802780255.db2.gz MQQXBUMTNUFSKX-UHFFFAOYSA-N 2 2 251.334 0.217 20 0 CCADLP C[NH+](C)C[C@H]1CCCN1c1cc[nH+]c(N2CCOCC2)n1 ZINC001165075799 802780378 /nfs/dbraw/zinc/78/03/78/802780378.db2.gz DFCSJIZJGUQXQN-CYBMUJFWSA-N 2 2 291.399 0.844 20 0 CCADLP C[NH+]1C[C@@H]2CN(c3cc[nH+]c(N4CCOCC4)n3)C[C@H]2C1 ZINC001165153075 802791260 /nfs/dbraw/zinc/79/12/60/802791260.db2.gz WETSUXAMHPUIHQ-CHWSQXEVSA-N 2 2 289.383 0.311 20 0 CCADLP Nc1[nH+]c(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)ccc1Cl ZINC001165284170 802813807 /nfs/dbraw/zinc/81/38/07/802813807.db2.gz NIVMPVKEKBSDGQ-PELKAZGASA-N 2 2 268.748 0.335 20 0 CCADLP Cc1[nH+]c2c(n1-c1cc(C(N)=O)ccn1)CC[NH2+]CC2 ZINC001165351776 802825934 /nfs/dbraw/zinc/82/59/34/802825934.db2.gz IYAKPUAAFBDWEI-UHFFFAOYSA-N 2 2 271.324 0.363 20 0 CCADLP COC(=O)c1cncnc1-n1c(C)[nH+]c2c1CC[NH2+]CC2 ZINC001165352889 802826487 /nfs/dbraw/zinc/82/64/87/802826487.db2.gz GYZAIIWQYZTFJL-UHFFFAOYSA-N 2 2 287.323 0.446 20 0 CCADLP COc1c[nH+]c(N2CCO[C@@H](C[NH3+])C2)nc1NC(C)C ZINC001166937996 802984579 /nfs/dbraw/zinc/98/45/79/802984579.db2.gz KJJWGYULUMIVTB-JTQLQIEISA-N 2 2 281.360 0.469 20 0 CCADLP Cn1c(C[N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cccc1=O ZINC001205796823 803175343 /nfs/dbraw/zinc/17/53/43/803175343.db2.gz UHDJUAUTANXBFA-JTQLQIEISA-N 2 2 271.311 0.801 20 0 CCADLP Cn1c(C[N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)cccc1=O ZINC001205796823 803175347 /nfs/dbraw/zinc/17/53/47/803175347.db2.gz UHDJUAUTANXBFA-JTQLQIEISA-N 2 2 271.311 0.801 20 0 CCADLP COCCCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001205958932 803191315 /nfs/dbraw/zinc/19/13/15/803191315.db2.gz HLSLOJFCOGOPHC-HZPDHXFCSA-N 2 2 294.395 0.996 20 0 CCADLP COCCCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001205958932 803191318 /nfs/dbraw/zinc/19/13/18/803191318.db2.gz HLSLOJFCOGOPHC-HZPDHXFCSA-N 2 2 294.395 0.996 20 0 CCADLP Cn1nc(-c2ccccc2)cc1C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206474880 803248978 /nfs/dbraw/zinc/24/89/78/803248978.db2.gz HOAJNMNVQMCOFB-XJKSGUPXSA-N 2 2 286.379 0.839 20 0 CCADLP Cn1nc(-c2ccccc2)cc1C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206474880 803248983 /nfs/dbraw/zinc/24/89/83/803248983.db2.gz HOAJNMNVQMCOFB-XJKSGUPXSA-N 2 2 286.379 0.839 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2cccc(N3CCCCC3)n2)C[C@H]1O ZINC001206490331 803253503 /nfs/dbraw/zinc/25/35/03/803253503.db2.gz AUAVLLXZGRJZKC-DZGCQCFKSA-N 2 2 290.411 0.823 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(N3CCCCC3)n2)C[C@H]1O ZINC001206490331 803253506 /nfs/dbraw/zinc/25/35/06/803253506.db2.gz AUAVLLXZGRJZKC-DZGCQCFKSA-N 2 2 290.411 0.823 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C[C@@H]1O ZINC001206513209 803256949 /nfs/dbraw/zinc/25/69/49/803256949.db2.gz ZDXUOBHNYPBHTN-ULQDDVLXSA-N 3 2 289.423 0.760 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C[C@@H]1O ZINC001206513209 803256952 /nfs/dbraw/zinc/25/69/52/803256952.db2.gz ZDXUOBHNYPBHTN-ULQDDVLXSA-N 3 2 289.423 0.760 20 0 CCADLP [NH3+]C[C@H]1C[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC001206513209 803256954 /nfs/dbraw/zinc/25/69/54/803256954.db2.gz ZDXUOBHNYPBHTN-ULQDDVLXSA-N 3 2 289.423 0.760 20 0 CCADLP [NH3+]C[C@H]1C[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC001206513209 803256957 /nfs/dbraw/zinc/25/69/57/803256957.db2.gz ZDXUOBHNYPBHTN-ULQDDVLXSA-N 3 2 289.423 0.760 20 0 CCADLP CC(C)Oc1ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cn1 ZINC001206525628 803260571 /nfs/dbraw/zinc/26/05/71/803260571.db2.gz VSTYYKABLMIOAZ-STQMWFEESA-N 2 2 265.357 0.620 20 0 CCADLP CC(C)Oc1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cn1 ZINC001206525628 803260573 /nfs/dbraw/zinc/26/05/73/803260573.db2.gz VSTYYKABLMIOAZ-STQMWFEESA-N 2 2 265.357 0.620 20 0 CCADLP COc1cc(-c2ccc[nH]2)[nH]c1C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206534756 803263460 /nfs/dbraw/zinc/26/34/60/803263460.db2.gz CAYCUQFTWKGPIY-HZMBPMFUSA-N 2 2 290.367 0.770 20 0 CCADLP COc1cc(-c2ccc[nH]2)[nH]c1C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206534756 803263465 /nfs/dbraw/zinc/26/34/65/803263465.db2.gz CAYCUQFTWKGPIY-HZMBPMFUSA-N 2 2 290.367 0.770 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208252761 803500516 /nfs/dbraw/zinc/50/05/16/803500516.db2.gz VJPHVGKMBRIMLH-FRRDWIJNSA-N 2 2 280.372 0.091 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208252761 803500517 /nfs/dbraw/zinc/50/05/17/803500517.db2.gz VJPHVGKMBRIMLH-FRRDWIJNSA-N 2 2 280.372 0.091 20 0 CCADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccncn3)CC2)C1 ZINC001208616863 803530164 /nfs/dbraw/zinc/53/01/64/803530164.db2.gz MPTSLQXMZJRONC-CQSZACIVSA-N 2 2 275.400 0.940 20 0 CCADLP C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccncn3)CC2)C1 ZINC001208616863 803530167 /nfs/dbraw/zinc/53/01/67/803530167.db2.gz MPTSLQXMZJRONC-CQSZACIVSA-N 2 2 275.400 0.940 20 0 CCADLP C[NH+]1CCN(C2CC[NH+](Cc3cnccn3)CC2)CC1 ZINC001209781616 803629927 /nfs/dbraw/zinc/62/99/27/803629927.db2.gz RLEPTGWUMWYXDF-UHFFFAOYSA-N 2 2 275.400 0.688 20 0 CCADLP COCCCC[NH2+][C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001210302744 803646627 /nfs/dbraw/zinc/64/66/27/803646627.db2.gz GTBOGCDUDULTCO-CYBMUJFWSA-N 2 2 294.399 0.959 20 0 CCADLP CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001210606048 803655500 /nfs/dbraw/zinc/65/55/00/803655500.db2.gz XJWOGUGWIMJNDC-BXUZGUMPSA-N 2 2 294.399 0.734 20 0 CCADLP CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001210606048 803655503 /nfs/dbraw/zinc/65/55/03/803655503.db2.gz XJWOGUGWIMJNDC-BXUZGUMPSA-N 2 2 294.399 0.734 20 0 CCADLP C[C@H](O)CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001211451618 803681780 /nfs/dbraw/zinc/68/17/80/803681780.db2.gz CNHGFXCMHLQIQS-HZSPNIEDSA-N 2 2 294.399 0.481 20 0 CCADLP C[C@H](O)CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001211451618 803681781 /nfs/dbraw/zinc/68/17/81/803681781.db2.gz CNHGFXCMHLQIQS-HZSPNIEDSA-N 2 2 294.399 0.481 20 0 CCADLP CCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H](OC)C1 ZINC001213204378 803685400 /nfs/dbraw/zinc/68/54/00/803685400.db2.gz HHKKNTBGSGMJTC-CHWSQXEVSA-N 2 2 294.399 0.578 20 0 CCADLP CCC[N@H+]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@H](OC)C1 ZINC001213204378 803685415 /nfs/dbraw/zinc/68/54/15/803685415.db2.gz HHKKNTBGSGMJTC-CHWSQXEVSA-N 2 2 294.399 0.578 20 0 CCADLP C[N@H+](C[C@H](O)COc1ccccc1C#N)[C@@H](C[NH3+])C1CC1 ZINC000402212016 803817296 /nfs/dbraw/zinc/81/72/96/803817296.db2.gz MFEIPKNZMADOGB-GJZGRUSLSA-N 2 2 289.379 0.967 20 0 CCADLP C[N@@H+](C[C@H](O)COc1ccccc1C#N)[C@@H](C[NH3+])C1CC1 ZINC000402212016 803817305 /nfs/dbraw/zinc/81/73/05/803817305.db2.gz MFEIPKNZMADOGB-GJZGRUSLSA-N 2 2 289.379 0.967 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)Nc2ncccn2)cc1 ZINC001218494709 803961621 /nfs/dbraw/zinc/96/16/21/803961621.db2.gz APCUFLGJMZGMPX-LLVKDONJSA-N 2 2 257.297 0.687 20 0 CCADLP Cc1cnc(C)c(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)n1 ZINC001218495640 803962610 /nfs/dbraw/zinc/96/26/10/803962610.db2.gz HGWXJKMWJLVYEB-NSHDSACASA-N 2 2 274.328 0.335 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1noc2cccnc21 ZINC001218503658 803970957 /nfs/dbraw/zinc/97/09/57/803970957.db2.gz QBLYTJGCXPLQNO-MRVPVSSYSA-N 2 2 272.268 0.454 20 0 CCADLP CCOC(=O)c1c(C)csc1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218531314 803991794 /nfs/dbraw/zinc/99/17/94/803991794.db2.gz GFYCDMIGJALXFQ-QMMMGPOBSA-N 2 2 285.369 0.848 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccc(Br)nc2)C1 ZINC001218537961 803992933 /nfs/dbraw/zinc/99/29/33/803992933.db2.gz CGBMXXZGEDYIQJ-SVRRBLITSA-N 2 2 285.145 0.472 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccnc(Cl)c1Cl ZINC001218558425 804004413 /nfs/dbraw/zinc/00/44/13/804004413.db2.gz GHQJEHMQWSPPKV-WDSKDSINSA-N 2 2 275.139 0.874 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc(C(F)(F)F)no1 ZINC001218560569 804005864 /nfs/dbraw/zinc/00/58/64/804005864.db2.gz SEAKJEJFLFEOFT-WHFBIAKZSA-N 2 2 264.207 0.179 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cnc(Cl)nc2Cl)C1 ZINC001218579911 804019080 /nfs/dbraw/zinc/01/90/80/804019080.db2.gz OPTXEVSIVJGFJN-UHNVWZDZSA-N 2 2 276.127 0.411 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cncc(C(F)(F)F)n1 ZINC001218592714 804025737 /nfs/dbraw/zinc/02/57/37/804025737.db2.gz JULIJBBAFVKQRP-YFKPBYRVSA-N 2 2 263.223 0.110 20 0 CCADLP N=c1ccc(F)c(N)n1C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001218606367 804032222 /nfs/dbraw/zinc/03/22/22/804032222.db2.gz NYXKHZNKWMEMKW-NSHDSACASA-N 2 2 289.314 0.336 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1ccnn1CC1CC1 ZINC001218626282 804042673 /nfs/dbraw/zinc/04/26/73/804042673.db2.gz LASILAOJXNHDLP-UHFFFAOYSA-N 2 2 277.372 0.573 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1cnc2ccccc2n1 ZINC001218653187 804065026 /nfs/dbraw/zinc/06/50/26/804065026.db2.gz POVFZYHGFGHRJW-NSHDSACASA-N 2 2 296.334 0.872 20 0 CCADLP CCN(C)c1ncc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)cn1 ZINC001218741176 804103887 /nfs/dbraw/zinc/10/38/87/804103887.db2.gz UAOVACFSWYQCOK-GYSYKLTISA-N 2 2 290.371 0.093 20 0 CCADLP CC1(C)COc2cc(NC(=O)C3([NH3+])CC[NH2+]CC3)nn2C1 ZINC001218746722 804108376 /nfs/dbraw/zinc/10/83/76/804108376.db2.gz OEKWRESGFLGDHS-UHFFFAOYSA-N 2 2 293.371 0.321 20 0 CCADLP COc1cc(Cl)ncc1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218756771 804112616 /nfs/dbraw/zinc/11/26/16/804112616.db2.gz HVZCVXVFVXMANF-UHFFFAOYSA-N 2 2 284.747 0.763 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1csc(-c2ccncc2)n1 ZINC001218765538 804116006 /nfs/dbraw/zinc/11/60/06/804116006.db2.gz YDDOOIVCYKTVFC-VIFPVBQESA-N 2 2 277.353 0.820 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1nnccc1C(F)(F)F ZINC001218801872 804126592 /nfs/dbraw/zinc/12/65/92/804126592.db2.gz SLKSMIQPKOTZIE-LURJTMIESA-N 2 2 263.223 0.110 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccc2c(c1)OCO2 ZINC001218807855 804127514 /nfs/dbraw/zinc/12/75/14/804127514.db2.gz PMTVCQUOMXGCRT-NSHDSACASA-N 2 2 288.307 0.657 20 0 CCADLP Cc1ccc(CO)cc1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218811265 804129485 /nfs/dbraw/zinc/12/94/85/804129485.db2.gz DUCWAWSFHMCHAM-JMSVASOKSA-N 2 2 275.352 0.648 20 0 CCADLP [NH3+]C1(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC[NH2+]CC1 ZINC001218835272 804137148 /nfs/dbraw/zinc/13/71/48/804137148.db2.gz AXKPOKAGUSLJKD-UHFFFAOYSA-N 2 2 275.312 0.288 20 0 CCADLP Cc1ccc(C(N)=O)cc1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218914164 804156050 /nfs/dbraw/zinc/15/60/50/804156050.db2.gz RRHIDJMGPLPBCS-UHFFFAOYSA-N 2 2 290.367 0.374 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccc([C@H]3CC[NH2+]C3)cc2)C1 ZINC001218997405 804180233 /nfs/dbraw/zinc/18/02/33/804180233.db2.gz TVMSFYFENIZFGF-SCRDCRAPSA-N 3 2 274.368 0.391 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccc3c(c2)CCCC(=O)N3)C1 ZINC001219015275 804181698 /nfs/dbraw/zinc/18/16/98/804181698.db2.gz NSGQBLHIYANAHZ-MFKMUULPSA-N 2 2 288.351 0.589 20 0 CCADLP Cc1cc2ccc(NC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])cc2[nH]1 ZINC001219375097 804290845 /nfs/dbraw/zinc/29/08/45/804290845.db2.gz JIDQXNKUOPPKOU-RYUDHWBXSA-N 2 2 258.325 0.962 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCc2cccc(N)c21 ZINC001219438936 804313508 /nfs/dbraw/zinc/31/35/08/804313508.db2.gz AVIQAFURDWDNRU-ZDUSSCGKSA-N 2 2 285.351 0.461 20 0 CCADLP CC[C@H](C)C[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219543315 804343297 /nfs/dbraw/zinc/34/32/97/804343297.db2.gz HJNLIYFGAZNSAE-XQQFMLRXSA-N 2 2 294.399 0.550 20 0 CCADLP CC[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219543315 804343306 /nfs/dbraw/zinc/34/33/06/804343306.db2.gz HJNLIYFGAZNSAE-XQQFMLRXSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NCCn1cc[nH+]c1 ZINC001219563902 804351788 /nfs/dbraw/zinc/35/17/88/804351788.db2.gz MVGXTDHDDLEJQB-ZDUSSCGKSA-N 3 2 281.404 0.495 20 0 CCADLP C[C@@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)c1ccncc1 ZINC001219600395 804368118 /nfs/dbraw/zinc/36/81/18/804368118.db2.gz RTGKHAYHFJDLON-MFKMUULPSA-N 2 2 273.340 0.562 20 0 CCADLP C[C@@H](NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)c1ccncc1 ZINC001219600075 804369253 /nfs/dbraw/zinc/36/92/53/804369253.db2.gz HJRONGPVZHJSAM-BXKDBHETSA-N 2 2 259.313 0.552 20 0 CCADLP Cc1cc(C)c(CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)c(=O)[nH]1 ZINC001219691667 804404624 /nfs/dbraw/zinc/40/46/24/804404624.db2.gz UAVOOFNEUFXPNG-JMSVASOKSA-N 2 2 290.367 0.242 20 0 CCADLP CCOC(=O)CCNC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001219692578 804405449 /nfs/dbraw/zinc/40/54/49/804405449.db2.gz DQPLVOXRDUCFTD-LBPRGKRZSA-N 2 2 279.340 0.328 20 0 CCADLP Cc1cc(C)cc(OC[C@@H](C)NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c1 ZINC001219712808 804410949 /nfs/dbraw/zinc/41/09/49/804410949.db2.gz XCLVCGNVQIFQNT-NFAWXSAZSA-N 2 2 291.395 0.876 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC1CC2(C1)CC[NH2+]CC2 ZINC001219773649 804419880 /nfs/dbraw/zinc/41/98/80/804419880.db2.gz WZFAKDBSDBSDOX-UHFFFAOYSA-N 2 2 262.357 0.922 20 0 CCADLP CC[C@H](C)[C@@H](CO)NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001219882386 804439651 /nfs/dbraw/zinc/43/96/51/804439651.db2.gz FHZDRUXNVPMMKJ-LEWSCRJBSA-N 2 2 279.384 0.782 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](NC(=O)C23CCC([NH3+])(CC2)CC3)C[NH2+]1 ZINC001219968049 804460119 /nfs/dbraw/zinc/46/01/19/804460119.db2.gz UAQVJQOWIACYKF-YFEARMNXSA-N 2 2 295.383 0.058 20 0 CCADLP O=C(NCCCc1ccncc1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219980081 804462856 /nfs/dbraw/zinc/46/28/56/804462856.db2.gz BGENBEFAIPLIRW-MELADBBJSA-N 2 2 274.368 0.080 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H]2CCOC2)cc1 ZINC001220020478 804474853 /nfs/dbraw/zinc/47/48/53/804474853.db2.gz KGKMRTPADKGURM-ZWNOBZJWSA-N 2 2 263.341 0.411 20 0 CCADLP N=c1cc(C[NH3+])ccn1C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220044999 804482206 /nfs/dbraw/zinc/48/22/06/804482206.db2.gz HOSFGIYXFMKNGU-CYBMUJFWSA-N 3 2 285.351 0.073 20 0 CCADLP COC(=O)CCCCCNC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220048926 804485378 /nfs/dbraw/zinc/48/53/78/804485378.db2.gz XOCDDYKTSUEOEL-LBPRGKRZSA-N 2 2 296.371 0.140 20 0 CCADLP C[C@@]1(O)C[C@H](NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)C1 ZINC001220149787 804516819 /nfs/dbraw/zinc/51/68/19/804516819.db2.gz CMMVFGPGCCEDAE-BZPMIXESSA-N 2 2 263.341 0.288 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NCC2CC(=O)C2)cc1 ZINC001220179466 804526712 /nfs/dbraw/zinc/52/67/12/804526712.db2.gz LSBCDLHDFSFDBI-ZDUSSCGKSA-N 2 2 261.325 0.354 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H]2C[C@@H](O)C2)cc1 ZINC001220191618 804531996 /nfs/dbraw/zinc/53/19/96/804531996.db2.gz LYNQEGCMKJQJAT-JIMOISOXSA-N 2 2 263.341 0.146 20 0 CCADLP CC1(C)C[C@@H](CNC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)O1 ZINC001220200660 804535752 /nfs/dbraw/zinc/53/57/52/804535752.db2.gz QEVYVYJAVJNURV-STQMWFEESA-N 2 2 277.368 0.942 20 0 CCADLP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220221082 804540060 /nfs/dbraw/zinc/54/00/60/804540060.db2.gz PRQGGOPSSKPCBI-BIGJJFBESA-N 3 2 280.416 0.197 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC001220218863 804540595 /nfs/dbraw/zinc/54/05/95/804540595.db2.gz IBVTUKJKZSZXQF-PWSUYJOCSA-N 2 2 280.372 0.364 20 0 CCADLP C[N@@H+]1CCC[C@H]1CCNC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220254327 804552240 /nfs/dbraw/zinc/55/22/40/804552240.db2.gz ODXYBSHRXGTHLS-LSDHHAIUSA-N 3 2 290.411 0.859 20 0 CCADLP C[N@H+]1CCC[C@H]1CCNC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220254327 804552248 /nfs/dbraw/zinc/55/22/48/804552248.db2.gz ODXYBSHRXGTHLS-LSDHHAIUSA-N 3 2 290.411 0.859 20 0 CCADLP Cc1[nH+]c[nH]c1CSCCNC(=O)[C@H]1CC[C@@H]1[NH3+] ZINC001220256783 804553728 /nfs/dbraw/zinc/55/37/28/804553728.db2.gz DOQXCCTXLDPHNQ-UWVGGRQHSA-N 2 2 268.386 0.805 20 0 CCADLP Cc1cccc(C)c1CNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220351234 804581983 /nfs/dbraw/zinc/58/19/83/804581983.db2.gz WSSFZSXRHDJANL-XJKSGUPXSA-N 2 2 273.380 0.871 20 0 CCADLP CCCCC(=O)[C@H](C)NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220371099 804584515 /nfs/dbraw/zinc/58/45/15/804584515.db2.gz OQANFYJMQCWNKD-COPLHBTASA-N 2 2 267.373 0.202 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@@H]1CNc2ccccc2C1 ZINC001220599079 804636365 /nfs/dbraw/zinc/63/63/65/804636365.db2.gz LCVAYDBMDJDJKK-JSGCOSHPSA-N 2 2 299.378 0.443 20 0 CCADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@]13C[NH2+]C[C@@H]1CC[NH2+]3)C2 ZINC001220717067 804654711 /nfs/dbraw/zinc/65/47/11/804654711.db2.gz YILWEBZSJMHAHC-GRYWWWGRSA-N 3 2 292.427 0.069 20 0 CCADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@]13C[NH2+]C[C@@H]1CC[NH2+]3)C2 ZINC001220717067 804654717 /nfs/dbraw/zinc/65/47/17/804654717.db2.gz YILWEBZSJMHAHC-GRYWWWGRSA-N 3 2 292.427 0.069 20 0 CCADLP COC(=O)[C@@H]([NH3+])CC(=O)NC[C@H](C)CC(C)(C)CC[NH3+] ZINC001220763953 804662011 /nfs/dbraw/zinc/66/20/11/804662011.db2.gz UBTVGNCDPUYXIT-MNOVXSKESA-N 2 2 287.404 0.394 20 0 CCADLP O=C(NCc1cc(F)cnc1Cl)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220811231 804671723 /nfs/dbraw/zinc/67/17/23/804671723.db2.gz ZHZWEYQGUVOILS-ZANVPECISA-N 2 2 298.749 0.442 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC001220896481 804695950 /nfs/dbraw/zinc/69/59/50/804695950.db2.gz NJMMJHCQAVQSTF-OLZOCXBDSA-N 3 2 262.357 0.127 20 0 CCADLP Cc1cc2c(cn1)[C@@H](NC(=O)C1([NH3+])CC[NH2+]CC1)CC2 ZINC001220959942 804708784 /nfs/dbraw/zinc/70/87/84/804708784.db2.gz CLIHGPJOJOGOQG-ZDUSSCGKSA-N 2 2 274.368 0.574 20 0 CCADLP Cc1cc2c(cn1)[C@H](NC(=O)[C@@]13C[NH2+]C[C@H]1CC[NH2+]3)CC2 ZINC001220960484 804709456 /nfs/dbraw/zinc/70/94/56/804709456.db2.gz PUHPWLTZCBMDDK-XNRPHZJLSA-N 2 2 286.379 0.445 20 0 CCADLP [NH3+][C@H](Cc1c[nH]cn1)C(=O)NCc1[nH+]cn2ccccc12 ZINC001221008332 804717702 /nfs/dbraw/zinc/71/77/02/804717702.db2.gz REBCIWGEABUIJQ-LLVKDONJSA-N 2 2 284.323 0.244 20 0 CCADLP [NH3+]CCN(C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)c1ccc(F)cc1 ZINC001221060812 804724678 /nfs/dbraw/zinc/72/46/78/804724678.db2.gz PQDCZRXAPWZNFY-NFAWXSAZSA-N 3 2 292.358 0.339 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C/C=C\Cl)C[C@@H]1O ZINC001221091530 804730635 /nfs/dbraw/zinc/73/06/35/804730635.db2.gz PWZUMDDTRGAQSY-JYYSYOFASA-N 2 2 289.807 0.240 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C/C=C\Cl)C[C@@H]1O ZINC001221091530 804730638 /nfs/dbraw/zinc/73/06/38/804730638.db2.gz PWZUMDDTRGAQSY-JYYSYOFASA-N 2 2 289.807 0.240 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@@H]1O ZINC001221091530 804730641 /nfs/dbraw/zinc/73/06/41/804730641.db2.gz PWZUMDDTRGAQSY-JYYSYOFASA-N 2 2 289.807 0.240 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001221091530 804730644 /nfs/dbraw/zinc/73/06/44/804730644.db2.gz PWZUMDDTRGAQSY-JYYSYOFASA-N 2 2 289.807 0.240 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC[C@@H]2CCCC(F)(F)C2)C1 ZINC001221161992 804737850 /nfs/dbraw/zinc/73/78/50/804737850.db2.gz IPMUIVQCVDBMFP-BBBLOLIVSA-N 2 2 261.316 0.617 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCCCCF)C[C@@H]1O ZINC001221164774 804739783 /nfs/dbraw/zinc/73/97/83/804739783.db2.gz QKWLIHFMMRGNIC-OLZOCXBDSA-N 2 2 298.362 0.184 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CCCCCF)C[C@@H]1O ZINC001221164774 804739788 /nfs/dbraw/zinc/73/97/88/804739788.db2.gz QKWLIHFMMRGNIC-OLZOCXBDSA-N 2 2 298.362 0.184 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC[C@@H](O)c2cc3ccccc3o2)C1 ZINC001221328582 804776786 /nfs/dbraw/zinc/77/67/86/804776786.db2.gz ASTAPITWCOTVRQ-GRYCIOLGSA-N 2 2 289.335 0.272 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H](c1ccccc1)c1cccnn1 ZINC001221385128 804796856 /nfs/dbraw/zinc/79/68/56/804796856.db2.gz MGKIEZVYLFSHNX-KCQAQPDRSA-N 2 2 297.362 0.229 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H](c1ccccc1)c1cccnn1 ZINC001221385131 804797326 /nfs/dbraw/zinc/79/73/26/804797326.db2.gz MGKIEZVYLFSHNX-YDHLFZDLSA-N 2 2 297.362 0.229 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCc2c1cccc2O ZINC001221395316 804802204 /nfs/dbraw/zinc/80/22/04/804802204.db2.gz SDUAXEVBELIKME-QWHCGFSZSA-N 2 2 286.335 0.789 20 0 CCADLP CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)C[C@H]([NH3+])C(=O)OC)CC1 ZINC001221395325 804802566 /nfs/dbraw/zinc/80/25/66/804802566.db2.gz SHKKJZVCKAPZOW-XQQFMLRXSA-N 2 2 299.415 0.646 20 0 CCADLP Fc1cncc(CN2CC[NH2+]C3(CC[NH2+]CC3)C2)c1 ZINC001222086269 804865433 /nfs/dbraw/zinc/86/54/33/804865433.db2.gz WCEHGHGWUIZHIR-UHFFFAOYSA-N 2 2 264.348 0.748 20 0 CCADLP Nc1ccnc(F)c1CN1CC[NH2+]C2(CC[NH2+]CC2)C1 ZINC001222104376 804870709 /nfs/dbraw/zinc/87/07/09/804870709.db2.gz FRHIJNVEWVPTHX-UHFFFAOYSA-N 2 2 279.363 0.330 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC[C@]12CCC[NH2+]C2 ZINC001222236692 804885278 /nfs/dbraw/zinc/88/52/78/804885278.db2.gz AKVKQVWQIBDNAN-AWEZNQCLSA-N 2 2 253.390 0.537 20 0 CCADLP C(C[N@@H+]1CCC[C@]12CCC[NH2+]C2)N1CCOCC1 ZINC001222236692 804885286 /nfs/dbraw/zinc/88/52/86/804885286.db2.gz AKVKQVWQIBDNAN-AWEZNQCLSA-N 2 2 253.390 0.537 20 0 CCADLP C(C[N@H+]1CCC[C@]12CCC[NH2+]C2)N1CCOCC1 ZINC001222236692 804885292 /nfs/dbraw/zinc/88/52/92/804885292.db2.gz AKVKQVWQIBDNAN-AWEZNQCLSA-N 2 2 253.390 0.537 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@@H+]1CCO ZINC001088636032 815043784 /nfs/dbraw/zinc/04/37/84/815043784.db2.gz DBDGFDBAGLOMHP-KKOKHZNYSA-N 2 2 278.356 0.085 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@H+]1CCO ZINC001088636032 815043789 /nfs/dbraw/zinc/04/37/89/815043789.db2.gz DBDGFDBAGLOMHP-KKOKHZNYSA-N 2 2 278.356 0.085 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@@H+]1CCCO ZINC001088636127 815044365 /nfs/dbraw/zinc/04/43/65/815044365.db2.gz IVCFJQKWDKQTEB-LPWJVIDDSA-N 2 2 292.383 0.475 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@H+]1CCCO ZINC001088636127 815044371 /nfs/dbraw/zinc/04/43/71/815044371.db2.gz IVCFJQKWDKQTEB-LPWJVIDDSA-N 2 2 292.383 0.475 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@@H+]1CCCO ZINC001088636127 815044377 /nfs/dbraw/zinc/04/43/77/815044377.db2.gz IVCFJQKWDKQTEB-LPWJVIDDSA-N 2 2 292.383 0.475 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@H+]1CCCO ZINC001088636127 815044381 /nfs/dbraw/zinc/04/43/81/815044381.db2.gz IVCFJQKWDKQTEB-LPWJVIDDSA-N 2 2 292.383 0.475 20 0 CCADLP c1cn2c([nH+]1)CC[C@H](OCCC[NH+]1CCOCC1)C2 ZINC001224868290 805086344 /nfs/dbraw/zinc/08/63/44/805086344.db2.gz RETOKMCJFQJSEN-ZDUSSCGKSA-N 2 2 265.357 0.937 20 0 CCADLP C[N@@H+]1C[C@@H]2CCCN(CC[NH+]3CCOCC3)[C@@H]2C1 ZINC000425539052 805171440 /nfs/dbraw/zinc/17/14/40/805171440.db2.gz ZSGSDBCZSMOIMR-UONOGXRCSA-N 2 2 253.390 0.345 20 0 CCADLP C[N@H+]1C[C@@H]2CCCN(CC[NH+]3CCOCC3)[C@@H]2C1 ZINC000425539052 805171444 /nfs/dbraw/zinc/17/14/44/805171444.db2.gz ZSGSDBCZSMOIMR-UONOGXRCSA-N 2 2 253.390 0.345 20 0 CCADLP Cn1ccc(C[NH+]2CCC(NC(=O)CC[NH+](C)C)CC2)n1 ZINC001228991991 805493698 /nfs/dbraw/zinc/49/36/98/805493698.db2.gz LFTFWTAFLOJNQI-UHFFFAOYSA-N 2 2 293.415 0.452 20 0 CCADLP Cc1nnc(C[NH+]2CCC(NC(=O)CC[NH+](C)C)CC2)o1 ZINC001228991120 805494279 /nfs/dbraw/zinc/49/42/79/805494279.db2.gz DANUJPHIMRKKET-UHFFFAOYSA-N 2 2 295.387 0.410 20 0 CCADLP CCOC(=O)[C@H](CO)[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168294737 815081442 /nfs/dbraw/zinc/08/14/42/815081442.db2.gz FIRLRBYDRJUXJY-MCIGGMRASA-N 2 2 258.362 0.373 20 0 CCADLP COC(=O)[C@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@@H](C)O ZINC001168300171 815083685 /nfs/dbraw/zinc/08/36/85/815083685.db2.gz QCZMIOCHBTVLEA-HBIQZDMRSA-N 2 2 258.362 0.371 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001245985048 807106740 /nfs/dbraw/zinc/10/67/40/807106740.db2.gz SFMDBKAZPCROLY-AVGNSLFASA-N 3 2 257.422 0.713 20 0 CCADLP O[C@H](C[NH2+][C@@H]1C[NH2+]CC12CC2)COCc1ccco1 ZINC001245986744 807108362 /nfs/dbraw/zinc/10/83/62/807108362.db2.gz QEQZNHRAQJPHLE-DGCLKSJQSA-N 2 2 266.341 0.499 20 0 CCADLP C[C@H]1[C@H](C[NH3+])CCC[N@@H+]1C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001246021696 807120843 /nfs/dbraw/zinc/12/08/43/807120843.db2.gz LNOYMYGMMDQPTG-QSPRXWTASA-N 3 2 291.439 0.977 20 0 CCADLP C[C@H]1[C@H](C[NH3+])CCC[N@H+]1C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001246021696 807120847 /nfs/dbraw/zinc/12/08/47/807120847.db2.gz LNOYMYGMMDQPTG-QSPRXWTASA-N 3 2 291.439 0.977 20 0 CCADLP N[C@@]1(C(F)(F)F)CC[N@H+](C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001246032737 807128170 /nfs/dbraw/zinc/12/81/70/807128170.db2.gz SQVBTIZZNAFSIW-ZJUUUORDSA-N 2 2 267.295 0.066 20 0 CCADLP N[C@@]1(C(F)(F)F)CC[N@@H+](C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001246032737 807128173 /nfs/dbraw/zinc/12/81/73/807128173.db2.gz SQVBTIZZNAFSIW-ZJUUUORDSA-N 2 2 267.295 0.066 20 0 CCADLP [NH3+][C@]12CC[C@H]1C[N@H+](C[C@H](O)COCc1ccccc1)C2 ZINC001246045962 807131332 /nfs/dbraw/zinc/13/13/32/807131332.db2.gz MBLLKYRHOJWZAV-JYJNAYRXSA-N 2 2 276.380 0.987 20 0 CCADLP [NH3+][C@]12CC[C@H]1C[N@@H+](C[C@H](O)COCc1ccccc1)C2 ZINC001246045962 807131334 /nfs/dbraw/zinc/13/13/34/807131334.db2.gz MBLLKYRHOJWZAV-JYJNAYRXSA-N 2 2 276.380 0.987 20 0 CCADLP CC[C@H]([NH3+])C[N@H+](C)C[C@H](O)COCC(F)(F)C(F)F ZINC001246065785 807138560 /nfs/dbraw/zinc/13/85/60/807138560.db2.gz JFIQHHQYXMNHBR-IUCAKERBSA-N 2 2 290.301 0.933 20 0 CCADLP CC[C@H]([NH3+])C[N@@H+](C)C[C@H](O)COCC(F)(F)C(F)F ZINC001246065785 807138563 /nfs/dbraw/zinc/13/85/63/807138563.db2.gz JFIQHHQYXMNHBR-IUCAKERBSA-N 2 2 290.301 0.933 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H](NCC2([NH3+])CCCC2)C[NH2+]1 ZINC001246074674 807142855 /nfs/dbraw/zinc/14/28/55/807142855.db2.gz GEKAGJJRQZLPMX-NEPJUHHUSA-N 2 2 283.416 0.920 20 0 CCADLP COCCC[NH+]1CCC([NH2+]C2CC[NH2+]CC2)CC1 ZINC001246082924 807146470 /nfs/dbraw/zinc/14/64/70/807146470.db2.gz YWGCNEDKXMDEAA-UHFFFAOYSA-N 3 2 255.406 0.829 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@@H](N[C@H]2C[NH2+]CC[C@H]2C)C[NH2+]1 ZINC001246094200 807151561 /nfs/dbraw/zinc/15/15/61/807151561.db2.gz DNZZNYFRHRUPDX-NRWUCQMLSA-N 2 2 269.389 0.258 20 0 CCADLP C[C@H]1C[NH2+]C[C@H]1N[C@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246115524 807156343 /nfs/dbraw/zinc/15/63/43/807156343.db2.gz IRDSQHGANTXAPD-WHOHXGKFSA-N 2 2 269.389 0.256 20 0 CCADLP C[C@H]1C[NH2+]C[C@H]1N[C@@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246115520 807156704 /nfs/dbraw/zinc/15/67/04/807156704.db2.gz IRDSQHGANTXAPD-FIQHERPVSA-N 2 2 269.389 0.256 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N2C[C@@H]([NH3+])Cc3ccccc32)C[NH2+]1 ZINC001246113756 807157330 /nfs/dbraw/zinc/15/73/30/807157330.db2.gz KIEHZEMJZBXLPR-AVGNSLFASA-N 2 2 275.352 0.280 20 0 CCADLP C[C@H](C[NH+]1CCCC1)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246174665 807174692 /nfs/dbraw/zinc/17/46/92/807174692.db2.gz CMGOHFUEPDILSQ-CHWSQXEVSA-N 3 2 252.406 0.154 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2COCCC23OCCO3)CC[NH2+]1 ZINC001246219901 807191035 /nfs/dbraw/zinc/19/10/35/807191035.db2.gz AJTAUCCMAHWWCO-IJLUTSLNSA-N 2 2 256.346 0.249 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)CN1 ZINC001246331939 807223549 /nfs/dbraw/zinc/22/35/49/807223549.db2.gz OYZBYRBQJZXGDW-RNJOBUHISA-N 2 2 269.389 0.258 20 0 CCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246332788 807224904 /nfs/dbraw/zinc/22/49/04/807224904.db2.gz JBNORFHMLBMKNX-GVXVVHGQSA-N 2 2 280.372 0.234 20 0 CCADLP O=C(N1CCC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C1)C(F)(F)F ZINC001246349528 807229310 /nfs/dbraw/zinc/22/93/10/807229310.db2.gz RVEZVQILISXQNG-VHSXEESVSA-N 2 2 279.306 0.881 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@@H+](C2C[C@@H]3C=C[C@H](C2)[NH2+]3)C1 ZINC001246558408 807288220 /nfs/dbraw/zinc/28/82/20/807288220.db2.gz KNYPYVXAMVAJKA-QNMSZWNNSA-N 3 2 251.374 0.221 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@H+](C2C[C@@H]3C=C[C@H](C2)[NH2+]3)C1 ZINC001246558408 807288222 /nfs/dbraw/zinc/28/82/22/807288222.db2.gz KNYPYVXAMVAJKA-QNMSZWNNSA-N 3 2 251.374 0.221 20 0 CCADLP CCOC(=O)C[C@H]1CC[C@H]([N@@H+]2C[C@@H]([NH3+])[C@H](O)C2)C1 ZINC001246562235 807289369 /nfs/dbraw/zinc/28/93/69/807289369.db2.gz ZDFVTSXZSPDHFZ-NNYUYHANSA-N 2 2 256.346 0.112 20 0 CCADLP CCOC(=O)C[C@H]1CC[C@H]([N@H+]2C[C@@H]([NH3+])[C@H](O)C2)C1 ZINC001246562235 807289373 /nfs/dbraw/zinc/28/93/73/807289373.db2.gz ZDFVTSXZSPDHFZ-NNYUYHANSA-N 2 2 256.346 0.112 20 0 CCADLP C[C@@H]1C[N@@H+]([C@H]2CCN[C@H](C(F)(F)F)C2)C[C@H]1[NH3+] ZINC001246568090 807294584 /nfs/dbraw/zinc/29/45/84/807294584.db2.gz PXBLGFZBZXFBGG-RGOKHQFPSA-N 2 2 251.296 0.948 20 0 CCADLP C[C@@H]1C[N@H+]([C@H]2CCN[C@H](C(F)(F)F)C2)C[C@H]1[NH3+] ZINC001246568090 807294590 /nfs/dbraw/zinc/29/45/90/807294590.db2.gz PXBLGFZBZXFBGG-RGOKHQFPSA-N 2 2 251.296 0.948 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)CO1 ZINC001246568915 807295361 /nfs/dbraw/zinc/29/53/61/807295361.db2.gz SZEVALBRTGTWNH-KXNHARMFSA-N 2 2 256.346 0.376 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@@H](C)[C@H]([NH3+])C2)CO1 ZINC001246568915 807295367 /nfs/dbraw/zinc/29/53/67/807295367.db2.gz SZEVALBRTGTWNH-KXNHARMFSA-N 2 2 256.346 0.376 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@@H]1O ZINC001246585579 807307304 /nfs/dbraw/zinc/30/73/04/807307304.db2.gz PIBMXXFLYIYDKU-DRFQVBMSSA-N 3 2 279.428 0.643 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C[C@@H]1O ZINC001246585579 807307313 /nfs/dbraw/zinc/30/73/13/807307313.db2.gz PIBMXXFLYIYDKU-DRFQVBMSSA-N 3 2 279.428 0.643 20 0 CCADLP [NH3+]C[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C[C@@H]1O ZINC001246585579 807307322 /nfs/dbraw/zinc/30/73/22/807307322.db2.gz PIBMXXFLYIYDKU-DRFQVBMSSA-N 3 2 279.428 0.643 20 0 CCADLP [NH3+]C[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C[C@@H]1O ZINC001246585579 807307330 /nfs/dbraw/zinc/30/73/30/807307330.db2.gz PIBMXXFLYIYDKU-DRFQVBMSSA-N 3 2 279.428 0.643 20 0 CCADLP CCCC[C@@H]1C[C@H]([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246587961 807308213 /nfs/dbraw/zinc/30/82/13/807308213.db2.gz XCQZESRYACZONF-DGAVXFQQSA-N 3 2 255.406 0.549 20 0 CCADLP CCCC[C@@H]1C[C@H]([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246587961 807308222 /nfs/dbraw/zinc/30/82/22/807308222.db2.gz XCQZESRYACZONF-DGAVXFQQSA-N 3 2 255.406 0.549 20 0 CCADLP CCOC(=O)[C@H]1CC[C@H](N2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)C1 ZINC001246618078 807326844 /nfs/dbraw/zinc/32/68/44/807326844.db2.gz JTNMRTXMAGXKMV-AJNGGQMLSA-N 2 2 295.427 0.744 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CO1 ZINC001246633734 807337603 /nfs/dbraw/zinc/33/76/03/807337603.db2.gz MDNKWMFBVMOKSQ-RVMXOQNASA-N 2 2 268.357 0.533 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CO1 ZINC001246633734 807337610 /nfs/dbraw/zinc/33/76/10/807337610.db2.gz MDNKWMFBVMOKSQ-RVMXOQNASA-N 2 2 268.357 0.533 20 0 CCADLP C[C@H](CC(F)(F)F)[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246639983 807340121 /nfs/dbraw/zinc/34/01/21/807340121.db2.gz CYGMOBVXOQDVBF-NXEZZACHSA-N 2 2 251.296 0.965 20 0 CCADLP C[C@H](CC(F)(F)F)[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246639983 807340129 /nfs/dbraw/zinc/34/01/29/807340129.db2.gz CYGMOBVXOQDVBF-NXEZZACHSA-N 2 2 251.296 0.965 20 0 CCADLP C[C@H](CC(F)(F)F)[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246640002 807340632 /nfs/dbraw/zinc/34/06/32/807340632.db2.gz CYGMOBVXOQDVBF-ZJUUUORDSA-N 2 2 251.296 0.965 20 0 CCADLP C[C@H](CC(F)(F)F)[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246640002 807340637 /nfs/dbraw/zinc/34/06/37/807340637.db2.gz CYGMOBVXOQDVBF-ZJUUUORDSA-N 2 2 251.296 0.965 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246651673 807347429 /nfs/dbraw/zinc/34/74/29/807347429.db2.gz XSNFRNZHPCGOBY-ZBFHGGJFSA-N 2 2 295.427 0.842 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246651673 807347437 /nfs/dbraw/zinc/34/74/37/807347437.db2.gz XSNFRNZHPCGOBY-ZBFHGGJFSA-N 2 2 295.427 0.842 20 0 CCADLP C[C@@H](CC(=O)N1CCOCC1)[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246651672 807347727 /nfs/dbraw/zinc/34/77/27/807347727.db2.gz XSNFRNZHPCGOBY-HOCLYGCPSA-N 2 2 295.427 0.842 20 0 CCADLP C[C@@H](CC(=O)N1CCOCC1)[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246651672 807347734 /nfs/dbraw/zinc/34/77/34/807347734.db2.gz XSNFRNZHPCGOBY-HOCLYGCPSA-N 2 2 295.427 0.842 20 0 CCADLP C[C@H]1CC[C@@H]([NH+]2CCC3(CC2)CC(=O)NC(=O)C3)C[NH2+]1 ZINC001246848240 807405606 /nfs/dbraw/zinc/40/56/06/807405606.db2.gz XUKZLFVLBXDWMG-NWDGAFQWSA-N 2 2 279.384 0.646 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCN(c3ncccc3N)CC2)CC[NH2+]1 ZINC001246856848 807409783 /nfs/dbraw/zinc/40/97/83/807409783.db2.gz WIDVJADMVOKUIX-CHWSQXEVSA-N 2 2 275.400 0.926 20 0 CCADLP COC(=O)[C@@H]1C[N@H+]([C@@H]2CCC[C@@H](OC)C2)C[C@@H]1[NH3+] ZINC001246933358 807433157 /nfs/dbraw/zinc/43/31/57/807433157.db2.gz IDJCYPMGIHAWNB-KKOKHZNYSA-N 2 2 256.346 0.376 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCC[C@@H](OC)C2)C[C@@H]1[NH3+] ZINC001246933358 807433163 /nfs/dbraw/zinc/43/31/63/807433163.db2.gz IDJCYPMGIHAWNB-KKOKHZNYSA-N 2 2 256.346 0.376 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247015282 807453079 /nfs/dbraw/zinc/45/30/79/807453079.db2.gz OADBFRIGAYJMLF-KFWWJZLASA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247015282 807453084 /nfs/dbraw/zinc/45/30/84/807453084.db2.gz OADBFRIGAYJMLF-KFWWJZLASA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1C2CCC1(CO)CC2)C1CC1 ZINC000723014391 807532179 /nfs/dbraw/zinc/53/21/79/807532179.db2.gz ZZVYQUTZMKLOJL-MOKVOYLWSA-N 2 2 254.374 0.431 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1C2CCC1(CO)CC2)C1CC1 ZINC000723014391 807532182 /nfs/dbraw/zinc/53/21/82/807532182.db2.gz ZZVYQUTZMKLOJL-MOKVOYLWSA-N 2 2 254.374 0.431 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1C2CCC1(CO)CC2)C1CC1 ZINC000723014391 807532183 /nfs/dbraw/zinc/53/21/83/807532183.db2.gz ZZVYQUTZMKLOJL-MOKVOYLWSA-N 2 2 254.374 0.431 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1C2CCC1(CO)CC2)C1CC1 ZINC000723014391 807532186 /nfs/dbraw/zinc/53/21/86/807532186.db2.gz ZZVYQUTZMKLOJL-MOKVOYLWSA-N 2 2 254.374 0.431 20 0 CCADLP CCN(CC[NH+](CC)CC)C[C@@H](O)C[NH+]1CCOCC1 ZINC001251015948 807642873 /nfs/dbraw/zinc/64/28/73/807642873.db2.gz PCJKHLKJTCGINV-OAHLLOKOSA-N 2 2 287.448 0.343 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCOC1CCC1 ZINC001038116765 815148068 /nfs/dbraw/zinc/14/80/68/815148068.db2.gz MLTXORPWHFWDSR-ZFWWWQNUSA-N 2 2 295.427 0.840 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCOC1CCC1 ZINC001038116765 815148070 /nfs/dbraw/zinc/14/80/70/815148070.db2.gz MLTXORPWHFWDSR-ZFWWWQNUSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCOC1CCC1 ZINC001038116765 815148072 /nfs/dbraw/zinc/14/80/72/815148072.db2.gz MLTXORPWHFWDSR-ZFWWWQNUSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCOC1CCC1 ZINC001038116765 815148073 /nfs/dbraw/zinc/14/80/73/815148073.db2.gz MLTXORPWHFWDSR-ZFWWWQNUSA-N 2 2 295.427 0.840 20 0 CCADLP CCC[C@H](O)C[NH+]1CCC2(CCC[N@@H+]2CC(=O)NC)CC1 ZINC001252780094 807956860 /nfs/dbraw/zinc/95/68/60/807956860.db2.gz MRNKDPAFCCNDRH-AWEZNQCLSA-N 2 2 297.443 0.824 20 0 CCADLP CCC[C@H](O)C[NH+]1CCC2(CCC[N@H+]2CC(=O)NC)CC1 ZINC001252780094 807956862 /nfs/dbraw/zinc/95/68/62/807956862.db2.gz MRNKDPAFCCNDRH-AWEZNQCLSA-N 2 2 297.443 0.824 20 0 CCADLP O[C@]1(C[NH2+]CCN2CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252949466 807988351 /nfs/dbraw/zinc/98/83/51/807988351.db2.gz NUVINLYQQZZUCD-KRWDZBQOSA-N 2 2 289.423 0.919 20 0 CCADLP O[C@]1(C[NH2+]CCN2CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252949466 807988355 /nfs/dbraw/zinc/98/83/55/807988355.db2.gz NUVINLYQQZZUCD-KRWDZBQOSA-N 2 2 289.423 0.919 20 0 CCADLP O[C@]1(CNCC[NH+]2CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252949466 807988359 /nfs/dbraw/zinc/98/83/59/807988359.db2.gz NUVINLYQQZZUCD-KRWDZBQOSA-N 2 2 289.423 0.919 20 0 CCADLP O[C@]1(CNCC[NH+]2CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252949466 807988364 /nfs/dbraw/zinc/98/83/64/807988364.db2.gz NUVINLYQQZZUCD-KRWDZBQOSA-N 2 2 289.423 0.919 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001253186157 808020489 /nfs/dbraw/zinc/02/04/89/808020489.db2.gz XOOZTYAQGFVSCN-QLFBSQMISA-N 3 2 269.433 0.573 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001253186157 808020495 /nfs/dbraw/zinc/02/04/95/808020495.db2.gz XOOZTYAQGFVSCN-QLFBSQMISA-N 3 2 269.433 0.573 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001253186157 808020498 /nfs/dbraw/zinc/02/04/98/808020498.db2.gz XOOZTYAQGFVSCN-QLFBSQMISA-N 3 2 269.433 0.573 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001253186157 808020507 /nfs/dbraw/zinc/02/05/07/808020507.db2.gz XOOZTYAQGFVSCN-QLFBSQMISA-N 3 2 269.433 0.573 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1C[C@@H](C(=O)OC)C2(CC2)C1 ZINC001253194981 808027451 /nfs/dbraw/zinc/02/74/51/808027451.db2.gz MGSMLJTXHZDPFN-STQMWFEESA-N 2 2 284.400 0.574 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1C[C@@H](C(=O)OC)C2(CC2)C1 ZINC001253194981 808027460 /nfs/dbraw/zinc/02/74/60/808027460.db2.gz MGSMLJTXHZDPFN-STQMWFEESA-N 2 2 284.400 0.574 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+]Cc1ncccc1O ZINC001253208207 808031217 /nfs/dbraw/zinc/03/12/17/808031217.db2.gz OLYZFPINOPTVBD-NSHDSACASA-N 2 2 253.346 0.580 20 0 CCADLP CC[C@H](C)[C@H]([NH2+]C[C@H](O)C[NH+](CC)CC)C(N)=O ZINC001253207290 808032181 /nfs/dbraw/zinc/03/21/81/808032181.db2.gz DFTWCMKKEYIVCC-SRVKXCTJSA-N 2 2 259.394 0.179 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NCCOc1cc[nH+]cc1 ZINC001142590828 815182322 /nfs/dbraw/zinc/18/23/22/815182322.db2.gz TVDBEISVWBBAHN-UHFFFAOYSA-N 2 2 251.330 0.917 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NCCOc1cc[nH+]cc1 ZINC001142590828 815182323 /nfs/dbraw/zinc/18/23/23/815182323.db2.gz TVDBEISVWBBAHN-UHFFFAOYSA-N 2 2 251.330 0.917 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])N[C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254502488 808246641 /nfs/dbraw/zinc/24/66/41/808246641.db2.gz DVXLODNIYLJQGW-LBPRGKRZSA-N 3 2 253.394 0.242 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])N[C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254502488 808246651 /nfs/dbraw/zinc/24/66/51/808246651.db2.gz DVXLODNIYLJQGW-LBPRGKRZSA-N 3 2 253.394 0.242 20 0 CCADLP C[C@@H](CC(=O)N(C)C[C@@H](O)C[NH2+]CCF)n1cc[nH+]c1 ZINC001278810249 808278976 /nfs/dbraw/zinc/27/89/76/808278976.db2.gz LDXRCGWTPKWMKP-RYUDHWBXSA-N 2 2 286.351 0.213 20 0 CCADLP C[C@@H]1COCCN1CC[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254845496 808286033 /nfs/dbraw/zinc/28/60/33/808286033.db2.gz OEFAKUCKAFJAAL-HIFRSBDPSA-N 2 2 267.417 0.781 20 0 CCADLP O=C1C=CC(=O)N1CCCC[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254847528 808286673 /nfs/dbraw/zinc/28/66/73/808286673.db2.gz FTRALEHJQAQMME-CQSZACIVSA-N 2 2 291.395 0.766 20 0 CCADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H]1CCS(=O)(=O)C1 ZINC001255941494 808440282 /nfs/dbraw/zinc/44/02/82/808440282.db2.gz SCMBJAWHWJXYNR-NEPJUHHUSA-N 2 2 262.419 0.884 20 0 CCADLP COc1cccc(C[C@H](C)[N@H+](CC[NH3+])CCO)c1 ZINC001256144603 808472184 /nfs/dbraw/zinc/47/21/84/808472184.db2.gz PVWULSCFYKUUQV-LBPRGKRZSA-N 2 2 252.358 0.879 20 0 CCADLP COc1cccc(C[C@H](C)[N@@H+](CC[NH3+])CCO)c1 ZINC001256144603 808472188 /nfs/dbraw/zinc/47/21/88/808472188.db2.gz PVWULSCFYKUUQV-LBPRGKRZSA-N 2 2 252.358 0.879 20 0 CCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC1CC[NH+](C)CC1 ZINC001256198781 808477827 /nfs/dbraw/zinc/47/78/27/808477827.db2.gz VGLOYYIOLQNUKA-ZDUSSCGKSA-N 2 2 280.372 0.188 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[NH2+][C@@H](C)C[NH+](C)C ZINC001256320401 808491478 /nfs/dbraw/zinc/49/14/78/808491478.db2.gz NAVPZEJHSWNEGF-NEPJUHHUSA-N 2 2 257.378 0.164 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[NH2+][C@]1(C)CCC[N@H+](C)C1 ZINC001256333175 808499710 /nfs/dbraw/zinc/49/97/10/808499710.db2.gz BXAOQVXFLKPHGD-UKRRQHHQSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[NH2+][C@]1(C)CCC[N@@H+](C)C1 ZINC001256333175 808499714 /nfs/dbraw/zinc/49/97/14/808499714.db2.gz BXAOQVXFLKPHGD-UKRRQHHQSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[NH2+]CCc1[nH+]ccn1C ZINC001256334040 808499979 /nfs/dbraw/zinc/49/99/79/808499979.db2.gz BZIMBQYXXDEISP-GFCCVEGCSA-N 2 2 280.372 0.190 20 0 CCADLP C[C@@H](Cc1ccco1)NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001258180923 808660741 /nfs/dbraw/zinc/66/07/41/808660741.db2.gz YTXYVMWVDDIHDZ-NSHDSACASA-N 2 2 250.346 0.982 20 0 CCADLP COC(=O)CC[C@H](C)n1c[nH+]cc1CCNC(=O)CC[NH3+] ZINC001258357254 808675007 /nfs/dbraw/zinc/67/50/07/808675007.db2.gz APSXNSQKKAKITP-NSHDSACASA-N 2 2 296.371 0.405 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCF)C[C@H]21 ZINC001076144795 815249493 /nfs/dbraw/zinc/24/94/93/815249493.db2.gz IUTHYCHQPXEKLW-MELADBBJSA-N 2 2 283.391 0.973 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCF)C[C@H]21 ZINC001076144795 815249496 /nfs/dbraw/zinc/24/94/96/815249496.db2.gz IUTHYCHQPXEKLW-MELADBBJSA-N 2 2 283.391 0.973 20 0 CCADLP C[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001076144795 815249497 /nfs/dbraw/zinc/24/94/97/815249497.db2.gz IUTHYCHQPXEKLW-MELADBBJSA-N 2 2 283.391 0.973 20 0 CCADLP C[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC001076144795 815249499 /nfs/dbraw/zinc/24/94/99/815249499.db2.gz IUTHYCHQPXEKLW-MELADBBJSA-N 2 2 283.391 0.973 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)CC[NH2+]C1CC1 ZINC001263198841 809479291 /nfs/dbraw/zinc/47/92/91/809479291.db2.gz MVJQZCNOKISADE-LBPRGKRZSA-N 2 2 269.389 0.356 20 0 CCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@H]1CCc2[nH+]ccn2C1 ZINC001263248387 809495722 /nfs/dbraw/zinc/49/57/22/809495722.db2.gz BPKRAMVGTCZMRN-WHOHXGKFSA-N 2 2 260.341 0.455 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001263250577 809495837 /nfs/dbraw/zinc/49/58/37/809495837.db2.gz MCSPDRIMLHWPDJ-LLVKDONJSA-N 2 2 250.346 0.909 20 0 CCADLP CCC[NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001264440922 809658067 /nfs/dbraw/zinc/65/80/67/809658067.db2.gz RFQWTFHBBKPNKV-HAQNSBGRSA-N 2 2 250.346 0.778 20 0 CCADLP COCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001265545469 809801631 /nfs/dbraw/zinc/80/16/31/809801631.db2.gz ZYRDJOZUJDARJW-BETUJISGSA-N 2 2 293.367 0.516 20 0 CCADLP Cc1nnc([C@@H](C)[N@H+](C)CCCNC(=O)CC[NH+](C)C)[nH]1 ZINC001265917179 809893687 /nfs/dbraw/zinc/89/36/87/809893687.db2.gz FYMMOEHIUBVJTK-LLVKDONJSA-N 2 2 296.419 0.564 20 0 CCADLP Cc1nnc([C@@H](C)[N@@H+](C)CCCNC(=O)CC[NH+](C)C)[nH]1 ZINC001265917179 809893691 /nfs/dbraw/zinc/89/36/91/809893691.db2.gz FYMMOEHIUBVJTK-LLVKDONJSA-N 2 2 296.419 0.564 20 0 CCADLP CCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001265940337 809900000 /nfs/dbraw/zinc/90/00/00/809900000.db2.gz UEVPNZHBKADPTC-LBPRGKRZSA-N 2 2 264.373 0.953 20 0 CCADLP C[N@H+](CCCNC(=O)Cn1cc[nH+]c1)CCn1cccn1 ZINC001265984225 809913285 /nfs/dbraw/zinc/91/32/85/809913285.db2.gz OOPSKGOHLFIMKQ-UHFFFAOYSA-N 2 2 290.371 0.218 20 0 CCADLP C[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)CCn1cccn1 ZINC001265984225 809913286 /nfs/dbraw/zinc/91/32/86/809913286.db2.gz OOPSKGOHLFIMKQ-UHFFFAOYSA-N 2 2 290.371 0.218 20 0 CCADLP Cc1ncc(C[NH3+])c(=N)n1-c1nc(Cl)nc2c1C[NH2+]C2 ZINC001167671692 811115056 /nfs/dbraw/zinc/11/50/56/811115056.db2.gz MBBJJWRFBKCPOV-UHFFFAOYSA-N 2 2 291.746 0.165 20 0 CCADLP CCOCC[N@@H+]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001267303784 811122345 /nfs/dbraw/zinc/12/23/45/811122345.db2.gz ASASLAYAJPFIBZ-GFCCVEGCSA-N 2 2 280.372 0.427 20 0 CCADLP CCOCC[N@H+]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001267303784 811122357 /nfs/dbraw/zinc/12/23/57/811122357.db2.gz ASASLAYAJPFIBZ-GFCCVEGCSA-N 2 2 280.372 0.427 20 0 CCADLP Cc1nocc1C[NH2+]CCN(C)C(=O)CCn1cc[nH+]c1 ZINC001267410362 811286031 /nfs/dbraw/zinc/28/60/31/811286031.db2.gz ISDYBLKWOOOOMC-UHFFFAOYSA-N 2 2 291.355 0.818 20 0 CCADLP CN(CC[NH2+]Cc1ncccn1)C(=O)C1CC[NH+](C)CC1 ZINC001267422903 811295541 /nfs/dbraw/zinc/29/55/41/811295541.db2.gz SKXRBZJHQVWRBH-UHFFFAOYSA-N 2 2 291.399 0.366 20 0 CCADLP C[C@H](Cc1ccccn1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000694084819 811338852 /nfs/dbraw/zinc/33/88/52/811338852.db2.gz WIXPPWIHRNWSNK-CYBMUJFWSA-N 2 2 276.384 0.376 20 0 CCADLP COCC[NH2+][C@@H](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001267492330 811371743 /nfs/dbraw/zinc/37/17/43/811371743.db2.gz HUBDZDHYVGNAFQ-LBPRGKRZSA-N 2 2 294.399 0.815 20 0 CCADLP CC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+]2CCO[C@H]1C2)[NH+](C)C ZINC000413848190 811390281 /nfs/dbraw/zinc/39/02/81/811390281.db2.gz VRODQNCVPDWDBZ-UPJWGTAASA-N 2 2 269.389 0.258 20 0 CCADLP COCCOCCOCC[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000694543863 811471686 /nfs/dbraw/zinc/47/16/86/811471686.db2.gz IZSZVAHIFYPJTQ-UHFFFAOYSA-N 2 2 258.362 0.089 20 0 CCADLP COCCOCCOCC[N@H+]1CC2CC1(C[NH3+])C2 ZINC000694543863 811471690 /nfs/dbraw/zinc/47/16/90/811471690.db2.gz IZSZVAHIFYPJTQ-UHFFFAOYSA-N 2 2 258.362 0.089 20 0 CCADLP CC(C)[C@]1(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CCC[NH2+]C1 ZINC001219695477 811698746 /nfs/dbraw/zinc/69/87/46/811698746.db2.gz USZSZHJXKAPARL-HIFRSBDPSA-N 2 2 283.416 0.459 20 0 CCADLP CC(C)[C@]1(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CCC[NH2+]C1 ZINC001219695477 811698749 /nfs/dbraw/zinc/69/87/49/811698749.db2.gz USZSZHJXKAPARL-HIFRSBDPSA-N 2 2 283.416 0.459 20 0 CCADLP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@@H]([NH3+])c1ccccc1 ZINC001220101609 811715872 /nfs/dbraw/zinc/71/58/72/811715872.db2.gz UOGYEQPQVDPUAA-NSHDSACASA-N 3 2 263.345 0.147 20 0 CCADLP CC[NH2+][C@@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000721706593 811863653 /nfs/dbraw/zinc/86/36/53/811863653.db2.gz VWBFJUDMJOHZQT-NEPJUHHUSA-N 2 2 250.346 0.920 20 0 CCADLP CC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000037893972 812031082 /nfs/dbraw/zinc/03/10/82/812031082.db2.gz IFIZISPTAOBSLJ-KBPBESRZSA-N 3 2 255.406 0.375 20 0 CCADLP CC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000037893972 812031092 /nfs/dbraw/zinc/03/10/92/812031092.db2.gz IFIZISPTAOBSLJ-KBPBESRZSA-N 3 2 255.406 0.375 20 0 CCADLP CCN1CCC[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1=O ZINC000722348258 812133518 /nfs/dbraw/zinc/13/35/18/812133518.db2.gz RXJNMUSOTAIVDZ-SNIKSBKOSA-N 2 2 263.385 0.583 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001038935754 812372083 /nfs/dbraw/zinc/37/20/83/812372083.db2.gz PVGGBAJKJWGUDP-VXGBXAGGSA-N 2 2 292.383 0.333 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001038935754 812372092 /nfs/dbraw/zinc/37/20/92/812372092.db2.gz PVGGBAJKJWGUDP-VXGBXAGGSA-N 2 2 292.383 0.333 20 0 CCADLP [NH3+]CCC(=O)NCCc1c[nH+]cn1[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167908283 812582461 /nfs/dbraw/zinc/58/24/61/812582461.db2.gz CJCYNPUSTBBEEK-PTEHBNRSSA-N 2 2 262.357 0.862 20 0 CCADLP CC[C@@H](C(=O)NC1C[NH+](C[C@H](C)OC)C1)[NH+](C)C ZINC001268453920 812594044 /nfs/dbraw/zinc/59/40/44/812594044.db2.gz LWLFFICDLHIUNN-JQWIXIFHSA-N 2 2 257.378 0.162 20 0 CCADLP CCN(CC[NH2+]C[C@H](C)O)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001268459756 812603352 /nfs/dbraw/zinc/60/33/52/812603352.db2.gz HITSTPVLASNUIY-STQMWFEESA-N 2 2 294.399 0.264 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCF)C1 ZINC001028329123 812623164 /nfs/dbraw/zinc/62/31/64/812623164.db2.gz GMSGXVDAVZEHFJ-QWHCGFSZSA-N 2 2 287.379 0.257 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCF)C1 ZINC001028329123 812623167 /nfs/dbraw/zinc/62/31/67/812623167.db2.gz GMSGXVDAVZEHFJ-QWHCGFSZSA-N 2 2 287.379 0.257 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCF)C1 ZINC001028329123 812623172 /nfs/dbraw/zinc/62/31/72/812623172.db2.gz GMSGXVDAVZEHFJ-QWHCGFSZSA-N 2 2 287.379 0.257 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CCF)C1 ZINC001028329123 812623176 /nfs/dbraw/zinc/62/31/76/812623176.db2.gz GMSGXVDAVZEHFJ-QWHCGFSZSA-N 2 2 287.379 0.257 20 0 CCADLP CC(C)OCC[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001268484929 812661086 /nfs/dbraw/zinc/66/10/86/812661086.db2.gz MNZIHVSFEDVUNA-LBPRGKRZSA-N 2 2 269.389 0.164 20 0 CCADLP CC(C)OCC[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001268484929 812661091 /nfs/dbraw/zinc/66/10/91/812661091.db2.gz MNZIHVSFEDVUNA-LBPRGKRZSA-N 2 2 269.389 0.164 20 0 CCADLP COc1ccncc1-c1noc([C@H]2C[NH2+]C[C@@H]2[NH3+])n1 ZINC001211757840 812683809 /nfs/dbraw/zinc/68/38/09/812683809.db2.gz SXQPNKWUBJFDLQ-CBAPKCEASA-N 2 2 261.285 0.154 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](Cc2cnon2)C1 ZINC001028446747 812713320 /nfs/dbraw/zinc/71/33/20/812713320.db2.gz HQZACAICTCAFHF-YPMHNXCESA-N 2 2 293.371 0.102 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](Cc2cnon2)C1 ZINC001028446747 812713325 /nfs/dbraw/zinc/71/33/25/812713325.db2.gz HQZACAICTCAFHF-YPMHNXCESA-N 2 2 293.371 0.102 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cnon2)C1 ZINC001028446747 812713330 /nfs/dbraw/zinc/71/33/30/812713330.db2.gz HQZACAICTCAFHF-YPMHNXCESA-N 2 2 293.371 0.102 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001028446747 812713333 /nfs/dbraw/zinc/71/33/33/812713333.db2.gz HQZACAICTCAFHF-YPMHNXCESA-N 2 2 293.371 0.102 20 0 CCADLP CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc1ccon1)[NH+](C)C ZINC001268616621 812948660 /nfs/dbraw/zinc/94/86/60/812948660.db2.gz IVLYETHLUMSKFO-GFUIURDCSA-N 2 2 280.372 0.777 20 0 CCADLP COCCC[NH2+]C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001268670919 812994094 /nfs/dbraw/zinc/99/40/94/812994094.db2.gz ODIACJVSKIHJFZ-SNVBAGLBSA-N 2 2 268.361 0.391 20 0 CCADLP CC(C)[NH2+]C[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001268693716 813016535 /nfs/dbraw/zinc/01/65/35/813016535.db2.gz LMSLWVOQDRDKNZ-NWDGAFQWSA-N 2 2 264.373 0.948 20 0 CCADLP O=C(NC[C@@H]1CC[N@@H+](CCO)C1)c1cccc2[nH+]ccn21 ZINC001028686878 813309378 /nfs/dbraw/zinc/30/93/78/813309378.db2.gz FBMPJTAROZXNKO-LBPRGKRZSA-N 2 2 288.351 0.378 20 0 CCADLP O=C(NC[C@@H]1CC[N@H+](CCO)C1)c1cccc2[nH+]ccn21 ZINC001028686878 813309385 /nfs/dbraw/zinc/30/93/85/813309385.db2.gz FBMPJTAROZXNKO-LBPRGKRZSA-N 2 2 288.351 0.378 20 0 CCADLP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H](C)COC ZINC001269476812 813384270 /nfs/dbraw/zinc/38/42/70/813384270.db2.gz HRFGGECUKGTBGG-QWRGUYRKSA-N 2 2 268.361 0.472 20 0 CCADLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]C[C@H](C)OC ZINC001269477971 813385490 /nfs/dbraw/zinc/38/54/90/813385490.db2.gz XLHHVBZPUHGUSL-WDEREUQCSA-N 2 2 268.361 0.472 20 0 CCADLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]C[C@@H](C)OC ZINC001269477968 813385595 /nfs/dbraw/zinc/38/55/95/813385595.db2.gz XLHHVBZPUHGUSL-GHMZBOCLSA-N 2 2 268.361 0.472 20 0 CCADLP CCOCC[NH2+]C1(CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001269526788 813404116 /nfs/dbraw/zinc/40/41/16/813404116.db2.gz YQKAFWHGBOHKQR-UHFFFAOYSA-N 2 2 280.372 0.536 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cnn(C)n1 ZINC000924995248 813573673 /nfs/dbraw/zinc/57/36/73/813573673.db2.gz YSSRJGCUMJFPRK-VXGBXAGGSA-N 2 2 266.393 0.102 20 0 CCADLP COC[C@@H](C)[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001167976779 813879224 /nfs/dbraw/zinc/87/92/24/813879224.db2.gz DZVJXHNMOUZIEE-VXGBXAGGSA-N 2 2 282.388 0.719 20 0 CCADLP COC[C@@H](C)[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001167976779 813879231 /nfs/dbraw/zinc/87/92/31/813879231.db2.gz DZVJXHNMOUZIEE-VXGBXAGGSA-N 2 2 282.388 0.719 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1CCF ZINC001087529666 814071717 /nfs/dbraw/zinc/07/17/17/814071717.db2.gz PKKJQKIREPIHOD-YNEHKIRRSA-N 2 2 287.379 0.256 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1CCF ZINC001087529666 814071725 /nfs/dbraw/zinc/07/17/25/814071725.db2.gz PKKJQKIREPIHOD-YNEHKIRRSA-N 2 2 287.379 0.256 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1CCF ZINC001087529666 814071732 /nfs/dbraw/zinc/07/17/32/814071732.db2.gz PKKJQKIREPIHOD-YNEHKIRRSA-N 2 2 287.379 0.256 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1CCF ZINC001087529666 814071740 /nfs/dbraw/zinc/07/17/40/814071740.db2.gz PKKJQKIREPIHOD-YNEHKIRRSA-N 2 2 287.379 0.256 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCO ZINC001029360193 814097739 /nfs/dbraw/zinc/09/77/39/814097739.db2.gz WSPQFDQQQAQSLS-HZSPNIEDSA-N 2 2 281.400 0.138 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCO ZINC001029360193 814097746 /nfs/dbraw/zinc/09/77/46/814097746.db2.gz WSPQFDQQQAQSLS-HZSPNIEDSA-N 2 2 281.400 0.138 20 0 CCADLP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001029360193 814097753 /nfs/dbraw/zinc/09/77/53/814097753.db2.gz WSPQFDQQQAQSLS-HZSPNIEDSA-N 2 2 281.400 0.138 20 0 CCADLP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001029360193 814097761 /nfs/dbraw/zinc/09/77/61/814097761.db2.gz WSPQFDQQQAQSLS-HZSPNIEDSA-N 2 2 281.400 0.138 20 0 CCADLP C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+]3C(C)(C)C)C[C@@H](C1)O2 ZINC001271976829 814659239 /nfs/dbraw/zinc/65/92/39/814659239.db2.gz ZXJCBQWPEXQVRZ-XQQFMLRXSA-N 2 2 281.400 0.401 20 0 CCADLP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+]3C(C)(C)C)C[C@@H](C1)O2 ZINC001271976829 814659245 /nfs/dbraw/zinc/65/92/45/814659245.db2.gz ZXJCBQWPEXQVRZ-XQQFMLRXSA-N 2 2 281.400 0.401 20 0 CCADLP C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+]3C(C)(C)C)C[C@@H](C1)O2 ZINC001271976829 814659251 /nfs/dbraw/zinc/65/92/51/814659251.db2.gz ZXJCBQWPEXQVRZ-XQQFMLRXSA-N 2 2 281.400 0.401 20 0 CCADLP C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+]3C(C)(C)C)C[C@@H](C1)O2 ZINC001271976829 814659255 /nfs/dbraw/zinc/65/92/55/814659255.db2.gz ZXJCBQWPEXQVRZ-XQQFMLRXSA-N 2 2 281.400 0.401 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCCC[C@@H]([NH2+]CCO)C1 ZINC001088419255 814680499 /nfs/dbraw/zinc/68/04/99/814680499.db2.gz LNJQFYABYDASAT-CYBMUJFWSA-N 2 2 294.399 0.614 20 0 CCADLP Cc1nc(NCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001101630626 814922593 /nfs/dbraw/zinc/92/25/93/814922593.db2.gz BFMDKFSZULANLN-LBPRGKRZSA-N 2 2 277.372 0.607 20 0 CCADLP Cc1nc(NCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001101630626 814922598 /nfs/dbraw/zinc/92/25/98/814922598.db2.gz BFMDKFSZULANLN-LBPRGKRZSA-N 2 2 277.372 0.607 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001127078837 815641212 /nfs/dbraw/zinc/64/12/12/815641212.db2.gz SXAKCOJPCBNZDJ-LBPRGKRZSA-N 2 2 281.360 0.148 20 0 CCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001127078837 815641216 /nfs/dbraw/zinc/64/12/16/815641216.db2.gz SXAKCOJPCBNZDJ-LBPRGKRZSA-N 2 2 281.360 0.148 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](CCC[C@H]2CCOC2)C1 ZINC001030162030 815853991 /nfs/dbraw/zinc/85/39/91/815853991.db2.gz RHTWPKUSXJPVQH-ZFWWWQNUSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](CCC[C@H]2CCOC2)C1 ZINC001030162030 815854001 /nfs/dbraw/zinc/85/40/01/815854001.db2.gz RHTWPKUSXJPVQH-ZFWWWQNUSA-N 2 2 295.427 0.698 20 0 CCADLP Cc1nc(NC[C@H](O)CNC(=O)C[N@@H+](C)C(C)C)cc[nH+]1 ZINC001105869051 815932145 /nfs/dbraw/zinc/93/21/45/815932145.db2.gz KWYDOPMHRAMRBZ-LBPRGKRZSA-N 2 2 295.387 0.014 20 0 CCADLP Cc1nc(NC[C@H](O)CNC(=O)C[N@H+](C)C(C)C)cc[nH+]1 ZINC001105869051 815932147 /nfs/dbraw/zinc/93/21/47/815932147.db2.gz KWYDOPMHRAMRBZ-LBPRGKRZSA-N 2 2 295.387 0.014 20 0 CCADLP O=C(NC1C[NH+](CCCF)C1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001030349030 815988034 /nfs/dbraw/zinc/98/80/34/815988034.db2.gz YZEKIMFBNSFTQR-QWHCGFSZSA-N 2 2 285.363 0.010 20 0 CCADLP O=C(NC1C[NH+](CCCF)C1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001030349030 815988039 /nfs/dbraw/zinc/98/80/39/815988039.db2.gz YZEKIMFBNSFTQR-QWHCGFSZSA-N 2 2 285.363 0.010 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC1C[NH+](C[C@@H]2CCCOC2)C1 ZINC001030684449 816215980 /nfs/dbraw/zinc/21/59/80/816215980.db2.gz CFZZFMRWLYYZAL-ZDUSSCGKSA-N 2 2 292.383 0.419 20 0 CCADLP CC[C@H](C[NH+]1CC(NC(=O)Cn2c[nH+]cc2C)C1)OC ZINC001030683490 816217284 /nfs/dbraw/zinc/21/72/84/816217284.db2.gz MFMNRLDHEXBPCT-CYBMUJFWSA-N 2 2 280.372 0.417 20 0 CCADLP C[C@@H](Nc1nccnc1C[NH3+])[C@@H](C)[NH+]1CCOCC1 ZINC001120812335 816228754 /nfs/dbraw/zinc/22/87/54/816228754.db2.gz RTTCPUVACOWDBB-GHMZBOCLSA-N 2 2 265.361 0.456 20 0 CCADLP C[NH+](C)C1(C(=O)N2CC3(C2)C[NH+](Cc2cn[nH]c2)C3)CC1 ZINC001272308112 816295792 /nfs/dbraw/zinc/29/57/92/816295792.db2.gz QFHBOJPUMKDAAU-UHFFFAOYSA-N 2 2 289.383 0.148 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@]2(C)CC[NH+](CCC3CC3)C2)C1 ZINC001046219681 816444450 /nfs/dbraw/zinc/44/44/50/816444450.db2.gz PUNMVVVMGJVGIC-HOCLYGCPSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@]2(C)CC[NH+](CCC3CC3)C2)C1 ZINC001046219681 816444452 /nfs/dbraw/zinc/44/44/52/816444452.db2.gz PUNMVVVMGJVGIC-HOCLYGCPSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@@]2(C)CC[N@H+](CCC3CC3)C2)C1 ZINC001046219681 816444456 /nfs/dbraw/zinc/44/44/56/816444456.db2.gz PUNMVVVMGJVGIC-HOCLYGCPSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CCC3CC3)C2)C1 ZINC001046219681 816444458 /nfs/dbraw/zinc/44/44/58/816444458.db2.gz PUNMVVVMGJVGIC-HOCLYGCPSA-N 2 2 295.427 0.698 20 0 CCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC1C[NH+](CC3CC3)C1)C2 ZINC001030961517 816508747 /nfs/dbraw/zinc/50/87/47/816508747.db2.gz WVCOFEFRLZNEMG-CYBMUJFWSA-N 2 2 288.395 0.964 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C[NH2+]CCF ZINC001106224091 816663732 /nfs/dbraw/zinc/66/37/32/816663732.db2.gz PLCHGMCSLRTSPD-VXGBXAGGSA-N 2 2 282.363 0.996 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCF ZINC001106224091 816663733 /nfs/dbraw/zinc/66/37/33/816663733.db2.gz PLCHGMCSLRTSPD-VXGBXAGGSA-N 2 2 282.363 0.996 20 0 CCADLP CC(C)[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1 ZINC001083733265 816831163 /nfs/dbraw/zinc/83/11/63/816831163.db2.gz HHDSTGJZZNBUAX-OLZOCXBDSA-N 2 2 295.383 0.525 20 0 CCADLP CC(C)[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1 ZINC001083733265 816831165 /nfs/dbraw/zinc/83/11/65/816831165.db2.gz HHDSTGJZZNBUAX-OLZOCXBDSA-N 2 2 295.383 0.525 20 0 CCADLP CCOCC[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001168492981 816833017 /nfs/dbraw/zinc/83/30/17/816833017.db2.gz FCQAZTZLVIJSNB-UHFFFAOYSA-N 2 2 294.399 0.796 20 0 CCADLP C[N@@H+]1CC[C@@H](CC(=O)NC2C[NH+](CCn3cccn3)C2)C1 ZINC001031259864 816910926 /nfs/dbraw/zinc/91/09/26/816910926.db2.gz HVXYKJLJGTZJJV-ZDUSSCGKSA-N 2 2 291.399 0.025 20 0 CCADLP C[N@H+]1CC[C@@H](CC(=O)NC2C[NH+](CCn3cccn3)C2)C1 ZINC001031259864 816910929 /nfs/dbraw/zinc/91/09/29/816910929.db2.gz HVXYKJLJGTZJJV-ZDUSSCGKSA-N 2 2 291.399 0.025 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CCCF ZINC001106799912 816920995 /nfs/dbraw/zinc/92/09/95/816920995.db2.gz XEBRBAHWYGDNLR-VXGBXAGGSA-N 2 2 282.363 0.996 20 0 CCADLP CCOCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001106804279 816924287 /nfs/dbraw/zinc/92/42/87/816924287.db2.gz KGOXAYWRIMDDOC-CHWSQXEVSA-N 2 2 294.399 0.673 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC1C[NH+](CC[C@@H]2CCCO2)C1 ZINC001031391713 817028068 /nfs/dbraw/zinc/02/80/68/817028068.db2.gz LTLPRXZKPFQYOF-AWEZNQCLSA-N 2 2 292.383 0.561 20 0 CCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCC[NH2+]CCF ZINC001127548218 817237214 /nfs/dbraw/zinc/23/72/14/817237214.db2.gz ZGVWCULQXAPVML-CHWSQXEVSA-N 2 2 294.374 0.829 20 0 CCADLP N[C@H](C[NH+]1CCC([NH3+])CC1)c1nc(-c2cccnc2)no1 ZINC001212315202 817364747 /nfs/dbraw/zinc/36/47/47/817364747.db2.gz UXTAVFPNMUMKGV-GFCCVEGCSA-N 2 2 288.355 0.555 20 0 CCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C1 ZINC000446362660 817371917 /nfs/dbraw/zinc/37/19/17/817371917.db2.gz IDSQVIKOPQTABI-NSHDSACASA-N 2 2 291.399 0.469 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C1 ZINC000446362660 817371926 /nfs/dbraw/zinc/37/19/26/817371926.db2.gz IDSQVIKOPQTABI-NSHDSACASA-N 2 2 291.399 0.469 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC2C[NH+](CCF)C2)CC[N@@H+]1C ZINC001031926187 817470209 /nfs/dbraw/zinc/47/02/09/817470209.db2.gz XACJPQQXNZYDDG-AAEUAGOBSA-N 2 2 271.380 0.734 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC2C[NH+](CCF)C2)CC[N@H+]1C ZINC001031926187 817470213 /nfs/dbraw/zinc/47/02/13/817470213.db2.gz XACJPQQXNZYDDG-AAEUAGOBSA-N 2 2 271.380 0.734 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)oc1C ZINC001124838144 817591405 /nfs/dbraw/zinc/59/14/05/817591405.db2.gz UMDDDSJGSYOIKI-LBPRGKRZSA-N 2 2 280.372 0.591 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)oc1C ZINC001124838144 817591410 /nfs/dbraw/zinc/59/14/10/817591410.db2.gz UMDDDSJGSYOIKI-LBPRGKRZSA-N 2 2 280.372 0.591 20 0 CCADLP C[C@@H]1C[N@H+](CCCO)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943767542 817637717 /nfs/dbraw/zinc/63/77/17/817637717.db2.gz XJMCGEDIQMYVMJ-NEPJUHHUSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@@H]1C[N@@H+](CCCO)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943767542 817637718 /nfs/dbraw/zinc/63/77/18/817637718.db2.gz XJMCGEDIQMYVMJ-NEPJUHHUSA-N 2 2 280.372 0.161 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC2CC2)C1 ZINC001032331678 817887079 /nfs/dbraw/zinc/88/70/79/817887079.db2.gz HBDUWFDMWZXTTP-SOUVJXGZSA-N 2 2 293.411 0.402 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC2CC2)C1 ZINC001032331678 817887086 /nfs/dbraw/zinc/88/70/86/817887086.db2.gz HBDUWFDMWZXTTP-SOUVJXGZSA-N 2 2 293.411 0.402 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC2CC2)C1 ZINC001032331678 817887100 /nfs/dbraw/zinc/88/71/00/817887100.db2.gz HBDUWFDMWZXTTP-SOUVJXGZSA-N 2 2 293.411 0.402 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC2CC2)C1 ZINC001032331678 817887108 /nfs/dbraw/zinc/88/71/08/817887108.db2.gz HBDUWFDMWZXTTP-SOUVJXGZSA-N 2 2 293.411 0.402 20 0 CCADLP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001077656197 817943564 /nfs/dbraw/zinc/94/35/64/817943564.db2.gz ALCGYNYRBUMNJL-CYZMBNFOSA-N 2 2 292.383 0.401 20 0 CCADLP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001077656197 817943567 /nfs/dbraw/zinc/94/35/67/817943567.db2.gz ALCGYNYRBUMNJL-CYZMBNFOSA-N 2 2 292.383 0.401 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@H+]2CCCF ZINC001032815183 818036825 /nfs/dbraw/zinc/03/68/25/818036825.db2.gz HWNMRASUUVPZCF-RYUDHWBXSA-N 2 2 266.320 0.528 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCF ZINC001032815183 818036830 /nfs/dbraw/zinc/03/68/30/818036830.db2.gz HWNMRASUUVPZCF-RYUDHWBXSA-N 2 2 266.320 0.528 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]([NH2+]CCO)C12CCC2 ZINC001078796426 818050599 /nfs/dbraw/zinc/05/05/99/818050599.db2.gz ZVPFDVLLCSRUFM-STQMWFEESA-N 2 2 292.383 0.270 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)CC1CC[NH+](C)CC1 ZINC000426481724 818280637 /nfs/dbraw/zinc/28/06/37/818280637.db2.gz BCJRJFSCEBZNLU-UHFFFAOYSA-N 2 2 250.346 0.768 20 0 CCADLP COC(=O)c1c(C)ccnc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168736044 818541773 /nfs/dbraw/zinc/54/17/73/818541773.db2.gz IWGUJLCCYULFQI-UHFFFAOYSA-N 2 2 291.355 0.771 20 0 CCADLP Cn1cnc2ccc(NC(=[NH2+])N3CC[NH+](C)CC3)nc21 ZINC001168736166 818542838 /nfs/dbraw/zinc/54/28/38/818542838.db2.gz KWOXBJHAFXVESH-UHFFFAOYSA-N 2 2 273.344 0.562 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cccc3c2C[NH2+]CC3)CC1 ZINC001168736215 818545034 /nfs/dbraw/zinc/54/50/34/818545034.db2.gz CEGVQYYDOAGWFN-UHFFFAOYSA-N 3 2 273.384 0.926 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc3[nH]c(N)[nH+]c3c2)CC1 ZINC001168737158 818561431 /nfs/dbraw/zinc/56/14/31/818561431.db2.gz PWQKFUVTSHGBSJ-UHFFFAOYSA-N 3 2 273.344 0.739 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2c[n+]([O-])ccc2Cl)CC1 ZINC001168740095 818596978 /nfs/dbraw/zinc/59/69/78/818596978.db2.gz CNSVUODIMACLBI-UHFFFAOYSA-N 2 2 269.736 0.567 20 0 CCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC[NH+]1CC=CC1)C2 ZINC001117677048 818605294 /nfs/dbraw/zinc/60/52/94/818605294.db2.gz XARBYZYHYCZWPA-CYBMUJFWSA-N 2 2 274.368 0.742 20 0 CCADLP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]Cc1ncccn1 ZINC001128533714 818611343 /nfs/dbraw/zinc/61/13/43/818611343.db2.gz QRXQMNGJZVWHLW-LBPRGKRZSA-N 2 2 297.378 0.362 20 0 CCADLP Cn1cc(NC(=[NH2+])N2CC[NH+](C)CC2)c2cc[nH]c2c1=O ZINC001168741296 818611448 /nfs/dbraw/zinc/61/14/48/818611448.db2.gz WGTCJPNPOKEIHW-UHFFFAOYSA-N 2 2 288.355 0.461 20 0 CCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001033208829 818654314 /nfs/dbraw/zinc/65/43/14/818654314.db2.gz WSQJBKLJXBQADD-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001033208829 818654317 /nfs/dbraw/zinc/65/43/17/818654317.db2.gz WSQJBKLJXBQADD-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+](C)C[C@@H]1CO)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000700614121 818822487 /nfs/dbraw/zinc/82/24/87/818822487.db2.gz JADAWMKICDLLID-RFQIPJPRSA-N 2 2 283.416 0.383 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+](C)C[C@@H]1CO)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000700614121 818822490 /nfs/dbraw/zinc/82/24/90/818822490.db2.gz JADAWMKICDLLID-RFQIPJPRSA-N 2 2 283.416 0.383 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1CO)[NH+]1[C@H](C)CC[C@@H]1C ZINC000700614121 818822492 /nfs/dbraw/zinc/82/24/92/818822492.db2.gz JADAWMKICDLLID-RFQIPJPRSA-N 2 2 283.416 0.383 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1CO)[NH+]1[C@H](C)CC[C@@H]1C ZINC000700614121 818822497 /nfs/dbraw/zinc/82/24/97/818822497.db2.gz JADAWMKICDLLID-RFQIPJPRSA-N 2 2 283.416 0.383 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CC2CC2)C1 ZINC001034891688 819363424 /nfs/dbraw/zinc/36/34/24/819363424.db2.gz ZDVYZZVEYPXVEQ-KGLIPLIRSA-N 2 2 281.400 0.308 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CC2CC2)C1 ZINC001034891688 819363433 /nfs/dbraw/zinc/36/34/33/819363433.db2.gz ZDVYZZVEYPXVEQ-KGLIPLIRSA-N 2 2 281.400 0.308 20 0 CCADLP CC(C)[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001035143953 819400374 /nfs/dbraw/zinc/40/03/74/819400374.db2.gz JUNGRTGKVNUXKV-GFCCVEGCSA-N 2 2 250.346 0.872 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001079992031 820496977 /nfs/dbraw/zinc/49/69/77/820496977.db2.gz WSLBDIUPEPURNL-FRRDWIJNSA-N 2 2 276.384 0.902 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001079992031 820496981 /nfs/dbraw/zinc/49/69/81/820496981.db2.gz WSLBDIUPEPURNL-FRRDWIJNSA-N 2 2 276.384 0.902 20 0 CCADLP CO[C@H](C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001080782362 820637019 /nfs/dbraw/zinc/63/70/19/820637019.db2.gz HXTJZZBECHTJSR-YRGRVCCFSA-N 2 2 294.399 0.434 20 0 CCADLP CO[C@H](C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001080782362 820637027 /nfs/dbraw/zinc/63/70/27/820637027.db2.gz HXTJZZBECHTJSR-YRGRVCCFSA-N 2 2 294.399 0.434 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1C ZINC001080852429 820646261 /nfs/dbraw/zinc/64/62/61/820646261.db2.gz CRXCPGWOLSNLCO-ZWNOBZJWSA-N 2 2 280.372 0.080 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1C ZINC001080852429 820646265 /nfs/dbraw/zinc/64/62/65/820646265.db2.gz CRXCPGWOLSNLCO-ZWNOBZJWSA-N 2 2 280.372 0.080 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001099809169 821331408 /nfs/dbraw/zinc/33/14/08/821331408.db2.gz CZUVLHVFNJSWMY-VXGBXAGGSA-N 2 2 280.372 0.302 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001099809169 821331417 /nfs/dbraw/zinc/33/14/17/821331417.db2.gz CZUVLHVFNJSWMY-VXGBXAGGSA-N 2 2 280.372 0.302 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001099809651 821335584 /nfs/dbraw/zinc/33/55/84/821335584.db2.gz KRFYUVLCMHYQQD-NWDGAFQWSA-N 2 2 280.372 0.304 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001099809651 821335593 /nfs/dbraw/zinc/33/55/93/821335593.db2.gz KRFYUVLCMHYQQD-NWDGAFQWSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001085438753 821689743 /nfs/dbraw/zinc/68/97/43/821689743.db2.gz HVNOQVZHZATPNT-JHJVBQTASA-N 2 2 280.372 0.281 20 0 CCADLP CN(c1ccc(N2CC[NH2+]CC2)c[nH+]1)C1CC[NH2+]CC1 ZINC001156176267 822336056 /nfs/dbraw/zinc/33/60/56/822336056.db2.gz WPKYKPGCQGORAO-UHFFFAOYSA-N 3 2 275.400 0.679 20 0 CCADLP CO[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH]cc[nH+]1 ZINC001114207684 837473580 /nfs/dbraw/zinc/47/35/80/837473580.db2.gz YLKNKKMEMDPQRK-UUIJZJDISA-N 2 2 292.383 0.424 20 0 CCADLP CO[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH]cc[nH+]1 ZINC001114207684 837473586 /nfs/dbraw/zinc/47/35/86/837473586.db2.gz YLKNKKMEMDPQRK-UUIJZJDISA-N 2 2 292.383 0.424 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C)c1ncccn1 ZINC001129443804 837513832 /nfs/dbraw/zinc/51/38/32/837513832.db2.gz NLIQEECYJHZQDY-WCQYABFASA-N 2 2 291.399 0.584 20 0 CCADLP Cc1noc([C@H](C)[NH2+]CCNC(=O)C[N@H+](C)C2CCC2)n1 ZINC001129535288 837529385 /nfs/dbraw/zinc/52/93/85/837529385.db2.gz NOINFXBLCOIRJV-JTQLQIEISA-N 2 2 295.387 0.629 20 0 CCADLP Cc1noc([C@H](C)[NH2+]CCNC(=O)C[N@@H+](C)C2CCC2)n1 ZINC001129535288 837529398 /nfs/dbraw/zinc/52/93/98/837529398.db2.gz NOINFXBLCOIRJV-JTQLQIEISA-N 2 2 295.387 0.629 20 0 CCADLP C[C@@H](O)CCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129891102 837575812 /nfs/dbraw/zinc/57/58/12/837575812.db2.gz CGHUDEZGGLLPNJ-IJLUTSLNSA-N 2 2 280.372 0.380 20 0 CCADLP C[C@@H](O)CCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129891102 837575816 /nfs/dbraw/zinc/57/58/16/837575816.db2.gz CGHUDEZGGLLPNJ-IJLUTSLNSA-N 2 2 280.372 0.380 20 0 CCADLP CC(C)C[C@H](C(=O)NCC[NH2+]C[C@H](C)O)n1cc[nH+]c1 ZINC001130001267 837606169 /nfs/dbraw/zinc/60/61/69/837606169.db2.gz JAZHZPCVIFLWKQ-QWHCGFSZSA-N 2 2 282.388 0.557 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NCC[NH2+]CC1CC1 ZINC001130173467 837717935 /nfs/dbraw/zinc/71/79/35/837717935.db2.gz FTZXEYSNNCBTTQ-UHFFFAOYSA-N 2 2 263.341 0.749 20 0 CCADLP C[C@@H](O)C[NH2+]CCCC[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170483811 837736178 /nfs/dbraw/zinc/73/61/78/837736178.db2.gz PTUUOPDKLDWXRE-CHWSQXEVSA-N 2 2 296.415 0.988 20 0 CCADLP C[C@H](O)CCC[NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130405129 837785453 /nfs/dbraw/zinc/78/54/53/837785453.db2.gz XWRLRIXCNOCODV-STQMWFEESA-N 2 2 294.399 0.312 20 0 CCADLP CCCC[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130403941 837786000 /nfs/dbraw/zinc/78/60/00/837786000.db2.gz FEHWQHCPXHWEJF-GFCCVEGCSA-N 2 2 264.373 0.951 20 0 CCADLP COCCC[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130484483 837808831 /nfs/dbraw/zinc/80/88/31/837808831.db2.gz ONDXHHSLXQCQIQ-GFCCVEGCSA-N 2 2 280.372 0.188 20 0 CCADLP C[C@@H](F)CC[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130488853 837809980 /nfs/dbraw/zinc/80/99/80/837809980.db2.gz YGVCGEGZPVSFKP-NEPJUHHUSA-N 2 2 282.363 0.899 20 0 CCADLP COCCCC[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130487239 837811104 /nfs/dbraw/zinc/81/11/04/837811104.db2.gz DOVJMCCZTCLYQR-ZDUSSCGKSA-N 2 2 294.399 0.578 20 0 CCADLP [NH3+][C@H]1CCN(c2cccc(N3CCC([NH3+])CC3)[nH+]2)C1 ZINC001156227358 836016430 /nfs/dbraw/zinc/01/64/30/836016430.db2.gz SMKRMMCHBAIIOG-LBPRGKRZSA-N 3 2 261.373 0.547 20 0 CCADLP Cc1nc(CC[NH3+])nn1-c1c[nH+]c2c(c1)CCCN2 ZINC001168992931 836093268 /nfs/dbraw/zinc/09/32/68/836093268.db2.gz VUUAKJJROZDUAQ-UHFFFAOYSA-N 2 2 258.329 0.608 20 0 CCADLP CCCC[N@@H+]1CCO[C@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001108439929 836110305 /nfs/dbraw/zinc/11/03/05/836110305.db2.gz YTBKRNYQTWGANQ-OAHLLOKOSA-N 2 2 294.399 0.890 20 0 CCADLP CCCC[N@H+]1CCO[C@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001108439929 836110308 /nfs/dbraw/zinc/11/03/08/836110308.db2.gz YTBKRNYQTWGANQ-OAHLLOKOSA-N 2 2 294.399 0.890 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncc(OCC2CC2)cn1 ZINC001169067820 836124532 /nfs/dbraw/zinc/12/45/32/836124532.db2.gz ZCCFBXDYLQOKHV-LLVKDONJSA-N 2 2 289.339 0.313 20 0 CCADLP Nc1ccc(F)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1 ZINC001169073775 836127064 /nfs/dbraw/zinc/12/70/64/836127064.db2.gz CDYYVNSUVOXRLR-SECBINFHSA-N 2 2 250.277 0.456 20 0 CCADLP Cn1c2ccc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)cc2oc1=O ZINC001169074004 836127568 /nfs/dbraw/zinc/12/75/68/836127568.db2.gz PJQAHZBMGJSTOI-SECBINFHSA-N 2 2 288.307 0.179 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2c(c1)NCCO2 ZINC001169073509 836127604 /nfs/dbraw/zinc/12/76/04/836127604.db2.gz KBDNLACDTXAHSE-SNVBAGLBSA-N 2 2 274.324 0.539 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2c(c1)C[NH2+]C2 ZINC001169075114 836128674 /nfs/dbraw/zinc/12/86/74/836128674.db2.gz VRHWGFYSODKUNW-GFCCVEGCSA-N 3 2 258.325 0.338 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cnc(OCC2CC2)nc1 ZINC001169074991 836129135 /nfs/dbraw/zinc/12/91/35/836129135.db2.gz DINIAYASLPQOKY-LLVKDONJSA-N 2 2 289.339 0.313 20 0 CCADLP Cc1c(C(N)=O)cccc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169075609 836129205 /nfs/dbraw/zinc/12/92/05/836129205.db2.gz ZTGISTKJUUKYHU-SNVBAGLBSA-N 2 2 274.324 0.142 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Nc2cc(C[NH+](C)C)ccn2)C[NH2+]1 ZINC001156250041 836134794 /nfs/dbraw/zinc/13/47/94/836134794.db2.gz ZRNAWRXHJXIUSB-RYUDHWBXSA-N 2 2 278.356 0.459 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCS(=O)(=O)CC1)C2 ZINC001169091873 836136589 /nfs/dbraw/zinc/13/65/89/836136589.db2.gz WOZUTDWQVXEAEB-XYYAHUGASA-N 2 2 272.414 0.778 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CCS(=O)(=O)CC1)C2 ZINC001169091873 836136593 /nfs/dbraw/zinc/13/65/93/836136593.db2.gz WOZUTDWQVXEAEB-XYYAHUGASA-N 2 2 272.414 0.778 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCC[C@H]1C(N)=O)C2 ZINC001169140177 836151741 /nfs/dbraw/zinc/15/17/41/836151741.db2.gz IJHQXIHXUGOESY-LOWDOPEQSA-N 2 2 251.374 0.951 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCC[C@H]1C(N)=O)C2 ZINC001169140177 836151745 /nfs/dbraw/zinc/15/17/45/836151745.db2.gz IJHQXIHXUGOESY-LOWDOPEQSA-N 2 2 251.374 0.951 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCC[C@H]1C(N)=O)C2 ZINC001169140177 836151748 /nfs/dbraw/zinc/15/17/48/836151748.db2.gz IJHQXIHXUGOESY-LOWDOPEQSA-N 2 2 251.374 0.951 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCC[C@H]1C(N)=O)C2 ZINC001169140177 836151753 /nfs/dbraw/zinc/15/17/53/836151753.db2.gz IJHQXIHXUGOESY-LOWDOPEQSA-N 2 2 251.374 0.951 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN3C(=O)COC[C@@H]3C1)C2 ZINC001169155571 836155347 /nfs/dbraw/zinc/15/53/47/836155347.db2.gz RLRAGULZVGMBRV-DGAVXFQQSA-N 2 2 279.384 0.155 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN3C(=O)COC[C@@H]3C1)C2 ZINC001169155571 836155353 /nfs/dbraw/zinc/15/53/53/836155353.db2.gz RLRAGULZVGMBRV-DGAVXFQQSA-N 2 2 279.384 0.155 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCN3C(=O)COC[C@@H]3C1)C2 ZINC001169155571 836155359 /nfs/dbraw/zinc/15/53/59/836155359.db2.gz RLRAGULZVGMBRV-DGAVXFQQSA-N 2 2 279.384 0.155 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCN3C(=O)COC[C@@H]3C1)C2 ZINC001169155571 836155363 /nfs/dbraw/zinc/15/53/63/836155363.db2.gz RLRAGULZVGMBRV-DGAVXFQQSA-N 2 2 279.384 0.155 20 0 CCADLP [NH3+]Cc1cnnn1-c1ccc(Cn2cc[nH+]c2)cn1 ZINC001169309036 836209011 /nfs/dbraw/zinc/20/90/11/836209011.db2.gz WQMCLRCMQZTTHK-UHFFFAOYSA-N 2 2 255.285 0.366 20 0 CCADLP NC(=O)c1c[nH]c2nc[nH+]c(NCC[C@H]3CCC[NH2+]3)c12 ZINC001169562817 836352713 /nfs/dbraw/zinc/35/27/13/836352713.db2.gz LFRHRZFQRQIPKJ-MRVPVSSYSA-N 2 2 274.328 0.562 20 0 CCADLP C[C@@H]1CCC[C@@H](C)N1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001157450883 837012973 /nfs/dbraw/zinc/01/29/73/837012973.db2.gz HKGGGNAWFIYHLM-SKENRDBWSA-N 2 2 251.374 0.998 20 0 CCADLP CCCN(CCOC)C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001157486566 837042814 /nfs/dbraw/zinc/04/28/14/837042814.db2.gz YIRHQLUBSRYMIR-NSHDSACASA-N 2 2 254.334 0.165 20 0 CCADLP [NH3+][C@H]1CN(C(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)C[C@H]1F ZINC001157538582 837104107 /nfs/dbraw/zinc/10/41/07/837104107.db2.gz MZCGDFSRTCVXAR-HZSPNIEDSA-N 2 2 277.343 0.769 20 0 CCADLP [NH3+][C@H]1CN(C(=O)[C@H]2CC[N@H+]2Cc2ccccc2)C[C@H]1F ZINC001157538582 837104112 /nfs/dbraw/zinc/10/41/12/837104112.db2.gz MZCGDFSRTCVXAR-HZSPNIEDSA-N 2 2 277.343 0.769 20 0 CCADLP C[NH+]1CC(CNc2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)C1 ZINC001170254762 837286492 /nfs/dbraw/zinc/28/64/92/837286492.db2.gz RBPFGPSZDWNYMW-UHFFFAOYSA-N 3 2 271.368 0.995 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NCC[NH2+]C/C=C\Cl)no1 ZINC001130648460 837880251 /nfs/dbraw/zinc/88/02/51/837880251.db2.gz OJVBRAQPGWHGJE-ARJAWSKDSA-N 2 2 286.763 0.808 20 0 CCADLP COC(=O)c1[nH+]ccc(NCCOCCOCC[NH3+])c1C ZINC001170512819 837924106 /nfs/dbraw/zinc/92/41/06/837924106.db2.gz OJNQRRJSLHZBJX-UHFFFAOYSA-N 2 2 297.355 0.580 20 0 CCADLP c1nn(CC[NH+]2CCOCC2)cc1CC[NH+]1CCCC1 ZINC001250163623 844282784 /nfs/dbraw/zinc/28/27/84/844282784.db2.gz CXLZBODBCNCIQL-UHFFFAOYSA-N 2 2 278.400 0.854 20 0 CCADLP COCC[NH2+]CCNC(=O)c1cccc2[nH+]ccn21 ZINC001131270895 838031146 /nfs/dbraw/zinc/03/11/46/838031146.db2.gz VUENELAOIBJLIO-UHFFFAOYSA-N 2 2 262.313 0.300 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+][C@H](C)c1csnn1 ZINC001131380741 838078663 /nfs/dbraw/zinc/07/86/63/838078663.db2.gz YZKJWSCTSDNMIL-SNVBAGLBSA-N 2 2 294.384 0.510 20 0 CCADLP COCC[NH2+]CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001131560629 838141889 /nfs/dbraw/zinc/14/18/89/838141889.db2.gz WGFPOFHZZURFJH-UHFFFAOYSA-N 2 2 265.357 0.973 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]Cc1cccnc1 ZINC001131639557 838163129 /nfs/dbraw/zinc/16/31/29/838163129.db2.gz IYIBWNDIELWNTC-UHFFFAOYSA-N 2 2 287.367 0.654 20 0 CCADLP Cc1nn(C)cc1C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132079889 838312301 /nfs/dbraw/zinc/31/23/01/838312301.db2.gz RCQUVCKZCLYTCP-UHFFFAOYSA-N 2 2 290.371 0.221 20 0 CCADLP CO[C@@H](C[NH2+]CCNC(=O)CCn1cc[nH+]c1)C1CCC1 ZINC001132081966 838313566 /nfs/dbraw/zinc/31/35/66/838313566.db2.gz HDMPMUQITLCUGP-AWEZNQCLSA-N 2 2 294.399 0.794 20 0 CCADLP COCCCC[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132082300 838314130 /nfs/dbraw/zinc/31/41/30/838314130.db2.gz KVOXWWFUNLGVII-UHFFFAOYSA-N 2 2 268.361 0.406 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C[N@@H+]1CCO ZINC001132195222 838331776 /nfs/dbraw/zinc/33/17/76/838331776.db2.gz LPDWNONPWBBLRP-STQMWFEESA-N 2 2 294.399 0.314 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C[N@H+]1CCO ZINC001132195222 838331781 /nfs/dbraw/zinc/33/17/81/838331781.db2.gz LPDWNONPWBBLRP-STQMWFEESA-N 2 2 294.399 0.314 20 0 CCADLP COCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C ZINC001133135621 838559351 /nfs/dbraw/zinc/55/93/51/838559351.db2.gz UYPUQIVDVLKIPS-CHWSQXEVSA-N 2 2 294.399 0.673 20 0 CCADLP CCc1noc([C@H](C)[NH2+]CCNC(=O)CC[NH+](C)C)n1 ZINC001133294431 838590962 /nfs/dbraw/zinc/59/09/62/838590962.db2.gz IOXIPYVQOZVWBX-JTQLQIEISA-N 2 2 283.376 0.351 20 0 CCADLP C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CCF ZINC001133353491 838609345 /nfs/dbraw/zinc/60/93/45/838609345.db2.gz CQIUIYWKWJKCEG-QWHCGFSZSA-N 2 2 282.363 0.927 20 0 CCADLP C[C@@H](O)CCC[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001133664604 838691310 /nfs/dbraw/zinc/69/13/10/838691310.db2.gz VDDSVHJXTCWJTA-NEPJUHHUSA-N 2 2 294.399 0.696 20 0 CCADLP CC[C@@H](C(=O)NCC[NH2+]Cc1nnc(C)o1)[NH+](CC)CC ZINC001133684608 838695817 /nfs/dbraw/zinc/69/58/17/838695817.db2.gz KMTZMTFSOXKLRV-LBPRGKRZSA-N 2 2 297.403 0.704 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)C[N@@H+]2CCC[C@@H]2C)o1 ZINC001133833621 838733956 /nfs/dbraw/zinc/73/39/56/838733956.db2.gz AWTCJVNZANHFMA-NSHDSACASA-N 2 2 280.372 0.673 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ncccn1 ZINC001133845272 838742664 /nfs/dbraw/zinc/74/26/64/838742664.db2.gz AHCIBFPTWPTWHB-CHWSQXEVSA-N 2 2 291.399 0.585 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2nncs2)C1 ZINC001133845550 838744818 /nfs/dbraw/zinc/74/48/18/838744818.db2.gz IKQMUKAMIQCEHK-JTQLQIEISA-N 2 2 283.401 0.086 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2nncs2)C1 ZINC001133845550 838744826 /nfs/dbraw/zinc/74/48/26/838744826.db2.gz IKQMUKAMIQCEHK-JTQLQIEISA-N 2 2 283.401 0.086 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1)c1csnn1 ZINC001133846061 838746831 /nfs/dbraw/zinc/74/68/31/838746831.db2.gz SKBMFOGWCPCRSA-WDEREUQCSA-N 2 2 297.428 0.647 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1)c1csnn1 ZINC001133846061 838746838 /nfs/dbraw/zinc/74/68/38/838746838.db2.gz SKBMFOGWCPCRSA-WDEREUQCSA-N 2 2 297.428 0.647 20 0 CCADLP CC[C@@H](C(=O)NCC[NH2+][C@@H](C)c1nnc(C)[nH]1)[NH+](C)C ZINC001133965710 838795265 /nfs/dbraw/zinc/79/52/65/838795265.db2.gz GPOWRIKIOXEILB-ONGXEEELSA-N 2 2 282.392 0.220 20 0 CCADLP CCOCCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134045516 838842135 /nfs/dbraw/zinc/84/21/35/838842135.db2.gz JQLVQXWIPJTQAW-CHWSQXEVSA-N 2 2 294.399 0.656 20 0 CCADLP COC(=O)c1cc2[nH+]c[nH]c2c(N[C@@H]2C[NH2+]C[C@@H]2CO)c1 ZINC001170778258 839107831 /nfs/dbraw/zinc/10/78/31/839107831.db2.gz GDLJDERVKNOJFE-BXKDBHETSA-N 2 2 290.323 0.342 20 0 CCADLP CC[C@H](C[NH2+]CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)OC ZINC001135080108 839155701 /nfs/dbraw/zinc/15/57/01/839155701.db2.gz KYOONJWPKKCMQB-DGCLKSJQSA-N 2 2 282.388 0.719 20 0 CCADLP CC[C@H](C[NH2+]CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)OC ZINC001135080108 839155706 /nfs/dbraw/zinc/15/57/06/839155706.db2.gz KYOONJWPKKCMQB-DGCLKSJQSA-N 2 2 282.388 0.719 20 0 CCADLP COCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135135922 839168059 /nfs/dbraw/zinc/16/80/59/839168059.db2.gz DFPSGODNRSTCQX-OLZOCXBDSA-N 2 2 282.388 0.793 20 0 CCADLP C[C@@H](C[C@H](C)[NH2+]CCO)NC(=O)CCn1cc[nH+]c1 ZINC001135136516 839168544 /nfs/dbraw/zinc/16/85/44/839168544.db2.gz JCJKAOATCOPKAH-RYUDHWBXSA-N 2 2 268.361 0.138 20 0 CCADLP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC001185407843 844414980 /nfs/dbraw/zinc/41/49/80/844414980.db2.gz FWLKQQQLXWNKOG-SNVBAGLBSA-N 2 2 283.401 0.180 20 0 CCADLP CCc1nnc([C@@H](C)[NH2+]CCNC(=O)C[NH+](CC)CC)[nH]1 ZINC001135510927 839279019 /nfs/dbraw/zinc/27/90/19/839279019.db2.gz IQJXILRQBZMLJD-LLVKDONJSA-N 2 2 296.419 0.476 20 0 CCADLP CC1CC[NH+](CC(=O)NCC[NH2+]Cc2cnsn2)CC1 ZINC001135702469 839366060 /nfs/dbraw/zinc/36/60/60/839366060.db2.gz JARNTUVZRSZTBG-UHFFFAOYSA-N 2 2 297.428 0.476 20 0 CCADLP CO[C@@H](C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1)C1CCCC1 ZINC001135757418 839392137 /nfs/dbraw/zinc/39/21/37/839392137.db2.gz BVJVOJQYOVXZDR-ZDUSSCGKSA-N 2 2 294.399 0.863 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CCn1cc(Cl)cn1 ZINC001135757614 839392853 /nfs/dbraw/zinc/39/28/53/839392853.db2.gz HVNSRDDPZZDVIN-UHFFFAOYSA-N 2 2 296.762 0.208 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]Cc1ccnc(Cl)c1 ZINC001135759905 839394779 /nfs/dbraw/zinc/39/47/79/839394779.db2.gz FPOSARCHKCNNBS-UHFFFAOYSA-N 2 2 293.758 0.907 20 0 CCADLP COCCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135798495 839418096 /nfs/dbraw/zinc/41/80/96/839418096.db2.gz HSRFKRACBSSADY-NEPJUHHUSA-N 2 2 282.388 0.862 20 0 CCADLP CC[C@]([NH3+])(CO)Nc1ccc(-n2c[nH+]c(C)c2C)nn1 ZINC001170856587 839429737 /nfs/dbraw/zinc/42/97/37/839429737.db2.gz DRHUFDXPWKQGKX-CYBMUJFWSA-N 2 2 276.344 0.748 20 0 CCADLP C[C@H](C[C@H](C)NC(=O)CCc1c[nH+]cn1C)[NH2+]CCO ZINC001136054075 839508799 /nfs/dbraw/zinc/50/87/99/839508799.db2.gz GDTGLGJDGYFYHO-NEPJUHHUSA-N 2 2 282.388 0.218 20 0 CCADLP CCOC(=O)c1c[nH+]c(N[C@@H]([NH3+])CCC[NH3+])cc1N(C)C ZINC001170899827 839547329 /nfs/dbraw/zinc/54/73/29/839547329.db2.gz YAUFWLMJUQPGEW-GFCCVEGCSA-N 3 2 295.387 0.760 20 0 CCADLP [NH3+]CCC[C@H]([NH3+])Nc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001170900242 839550463 /nfs/dbraw/zinc/55/04/63/839550463.db2.gz QQULMJLFTMRFGZ-CYBMUJFWSA-N 4 2 274.372 0.457 20 0 CCADLP C[C@@H]([NH3+])CCNc1ccc(CN2C(=O)CCC2=O)c[nH+]1 ZINC001159772468 839571886 /nfs/dbraw/zinc/57/18/86/839571886.db2.gz DMWXYENLJJBJLW-SNVBAGLBSA-N 2 2 276.340 0.880 20 0 CCADLP CCCOC[C@H](O)C[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246036258 839586936 /nfs/dbraw/zinc/58/69/36/839586936.db2.gz TXEQWFLKSVXEJX-ZIAGYGMSSA-N 2 2 256.390 0.992 20 0 CCADLP CCCOC[C@H](O)C[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246036258 839586940 /nfs/dbraw/zinc/58/69/40/839586940.db2.gz TXEQWFLKSVXEJX-ZIAGYGMSSA-N 2 2 256.390 0.992 20 0 CCADLP CC[C@@]1(C(=O)OC)C[C@@H](NC2CC[NH2+]CC2)C[NH2+]1 ZINC001246071942 839589847 /nfs/dbraw/zinc/58/98/47/839589847.db2.gz DQKOASJFSQOVDE-YPMHNXCESA-N 2 2 255.362 0.012 20 0 CCADLP COCC[N@@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001273508620 844452973 /nfs/dbraw/zinc/45/29/73/844452973.db2.gz NPGADUSBFYRNQM-OAHLLOKOSA-N 2 2 292.383 0.454 20 0 CCADLP COCC[N@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001273508620 844452976 /nfs/dbraw/zinc/45/29/76/844452976.db2.gz NPGADUSBFYRNQM-OAHLLOKOSA-N 2 2 292.383 0.454 20 0 CCADLP C([NH2+][C@@H]1CCC2(C[NH2+]C2)C1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246140770 839640007 /nfs/dbraw/zinc/64/00/07/839640007.db2.gz GTHYURFCJGFYGX-ZIAGYGMSSA-N 4 2 278.444 0.592 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@@H](NC[C@H]2CCCC[NH2+]2)C[NH2+]1 ZINC001246181411 839665059 /nfs/dbraw/zinc/66/50/59/839665059.db2.gz UGJRHONWJVKKIS-YRGRVCCFSA-N 2 2 269.389 0.402 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2(C[NH3+])CCCC2)CN1 ZINC001246285230 839760373 /nfs/dbraw/zinc/76/03/73/839760373.db2.gz GSEDPTQMGQSMLN-RYUDHWBXSA-N 2 2 269.389 0.531 20 0 CCADLP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C[NH2+]C[C@H]1CO ZINC001246299504 839776258 /nfs/dbraw/zinc/77/62/58/839776258.db2.gz LFLWTYDDNBGIBW-SCDSUCTJSA-N 2 2 252.333 0.927 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CC2CC2)C[C@H]1O ZINC001090763835 839784418 /nfs/dbraw/zinc/78/44/18/839784418.db2.gz MNVMMEIOVQNCEO-GXTWGEPZSA-N 2 2 292.383 0.222 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CC2CC2)C[C@H]1O ZINC001090763835 839784427 /nfs/dbraw/zinc/78/44/27/839784427.db2.gz MNVMMEIOVQNCEO-GXTWGEPZSA-N 2 2 292.383 0.222 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001090763810 839784921 /nfs/dbraw/zinc/78/49/21/839784921.db2.gz MGAJPQWVLNPHAO-YPMHNXCESA-N 2 2 280.372 0.222 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001090763810 839784927 /nfs/dbraw/zinc/78/49/27/839784927.db2.gz MGAJPQWVLNPHAO-YPMHNXCESA-N 2 2 280.372 0.222 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CCCF)C[C@@H]1O ZINC001090763746 839785642 /nfs/dbraw/zinc/78/56/42/839785642.db2.gz LHFHXEJTKQRZNH-YPMHNXCESA-N 2 2 298.362 0.172 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CCCF)C[C@@H]1O ZINC001090763746 839785650 /nfs/dbraw/zinc/78/56/50/839785650.db2.gz LHFHXEJTKQRZNH-YPMHNXCESA-N 2 2 298.362 0.172 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCC[NH2+]CCC[NH3+])C1 ZINC001246454383 839847900 /nfs/dbraw/zinc/84/79/00/839847900.db2.gz SCAAQSRNGXMQJW-CHWSQXEVSA-N 3 2 271.405 0.636 20 0 CCADLP COc1ccc(C[NH+]2CCN(CC[NH+](C)C)CC2)cn1 ZINC001137031967 839858533 /nfs/dbraw/zinc/85/85/33/839858533.db2.gz SXYBAQLLCKNZTG-UHFFFAOYSA-N 2 2 278.400 0.769 20 0 CCADLP O=C(C[N@H+]1CC[C@H](O)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC001186044741 844494772 /nfs/dbraw/zinc/49/47/72/844494772.db2.gz JRJNYQQREDOXGH-ZDUSSCGKSA-N 2 2 278.356 0.113 20 0 CCADLP O=C(C[N@@H+]1CC[C@H](O)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC001186044741 844494777 /nfs/dbraw/zinc/49/47/77/844494777.db2.gz JRJNYQQREDOXGH-ZDUSSCGKSA-N 2 2 278.356 0.113 20 0 CCADLP C[S@@](=O)CC[C@H]([NH3+])C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001160692570 840133703 /nfs/dbraw/zinc/13/37/03/840133703.db2.gz CNPQVHKNVBHLBB-SULUTDIPSA-N 2 2 298.412 0.212 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]Cc1ccon1 ZINC001171239231 840174070 /nfs/dbraw/zinc/17/40/70/840174070.db2.gz YFCKGNDBNROHTA-UHFFFAOYSA-N 2 2 277.328 0.247 20 0 CCADLP C[C@H]1CC[C@@H]([N@@H+]2CCOCC3(CC[NH2+]CC3)C2)C[NH2+]1 ZINC001246611424 840175946 /nfs/dbraw/zinc/17/59/46/840175946.db2.gz GHFPRNCLNNIEME-UONOGXRCSA-N 3 2 267.417 0.829 20 0 CCADLP C[C@H]1CC[C@@H]([N@H+]2CCOCC3(CC[NH2+]CC3)C2)C[NH2+]1 ZINC001246611424 840175953 /nfs/dbraw/zinc/17/59/53/840175953.db2.gz GHFPRNCLNNIEME-UONOGXRCSA-N 3 2 267.417 0.829 20 0 CCADLP C[C@@H]1CC[C@H]([NH+]2CCC3(C[C@@H](O)CO3)CC2)C[NH2+]1 ZINC001246614514 840184002 /nfs/dbraw/zinc/18/40/02/840184002.db2.gz NINFJJZXXDUIAN-FRRDWIJNSA-N 2 2 254.374 0.743 20 0 CCADLP CCN(C(=O)[C@H]([NH3+])Cc1cccc(OC)c1)C1C[NH+](C)C1 ZINC001144937079 840203812 /nfs/dbraw/zinc/20/38/12/840203812.db2.gz JDYGAURCMGJBCM-OAHLLOKOSA-N 2 2 291.395 0.728 20 0 CCADLP C[C@@H](O)C[NH2+]CCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001146458469 840305920 /nfs/dbraw/zinc/30/59/20/840305920.db2.gz IAEIGCRUASKQRW-GFCCVEGCSA-N 2 2 288.351 0.573 20 0 CCADLP C[C@H](C[C@H](C)[NH2+]Cc1cnon1)NC(=O)Cn1cc[nH+]c1 ZINC001146770460 840359799 /nfs/dbraw/zinc/35/97/99/840359799.db2.gz IHIGEAQHGJSXLU-WDEREUQCSA-N 2 2 292.343 0.339 20 0 CCADLP CC[N@H+](C)CCC(=O)NCC[NH2+][C@@H](C)c1nc(C)no1 ZINC001146746222 840365558 /nfs/dbraw/zinc/36/55/58/840365558.db2.gz DNQSJXYDDOTJOU-JTQLQIEISA-N 2 2 283.376 0.487 20 0 CCADLP CC[N@@H+](C)CCC(=O)NCC[NH2+][C@@H](C)c1nc(C)no1 ZINC001146746222 840365567 /nfs/dbraw/zinc/36/55/67/840365567.db2.gz DNQSJXYDDOTJOU-JTQLQIEISA-N 2 2 283.376 0.487 20 0 CCADLP CCOC(=O)[C@H]1CC[C@H](C[N@@H+]2C[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001205347774 844536287 /nfs/dbraw/zinc/53/62/87/844536287.db2.gz SBJUYHHYBDLFQJ-FDYHWXHSSA-N 2 2 270.373 0.360 20 0 CCADLP CCOC(=O)[C@H]1CC[C@H](C[N@H+]2C[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001205347774 844536294 /nfs/dbraw/zinc/53/62/94/844536294.db2.gz SBJUYHHYBDLFQJ-FDYHWXHSSA-N 2 2 270.373 0.360 20 0 CCADLP Cc1c[nH]c(CCNC(=O)[C@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC001186361790 844541884 /nfs/dbraw/zinc/54/18/84/844541884.db2.gz FUGKNJBQUADWTM-NSHDSACASA-N 2 2 250.346 0.719 20 0 CCADLP Cc1c[nH]c(CCNC(=O)[C@H]2CCC[N@H+](C)C2)[nH+]1 ZINC001186361790 844541888 /nfs/dbraw/zinc/54/18/88/844541888.db2.gz FUGKNJBQUADWTM-NSHDSACASA-N 2 2 250.346 0.719 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC001186487093 844553155 /nfs/dbraw/zinc/55/31/55/844553155.db2.gz FWPZJNUNVNYLDB-LLVKDONJSA-N 2 2 281.360 0.102 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC001186457884 844555334 /nfs/dbraw/zinc/55/53/34/844555334.db2.gz DWXYROWZHKXZLP-LLVKDONJSA-N 2 2 297.428 0.570 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001149124882 840608364 /nfs/dbraw/zinc/60/83/64/840608364.db2.gz WXOFLAZHPBWOCS-LBPRGKRZSA-N 2 2 294.399 0.782 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC[NH2+]Cc2cnon2)C1 ZINC001147834794 840694184 /nfs/dbraw/zinc/69/41/84/840694184.db2.gz MUCLPJYOYZEVHY-WCQYABFASA-N 2 2 295.387 0.396 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CC[C@H]1CCCO1 ZINC001147871666 840708901 /nfs/dbraw/zinc/70/89/01/840708901.db2.gz HJEMNMIVPDFRQG-CYBMUJFWSA-N 2 2 280.372 0.238 20 0 CCADLP Cc1oncc1C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147871810 840708941 /nfs/dbraw/zinc/70/89/41/840708941.db2.gz MPUQFWKLQFWBDJ-UHFFFAOYSA-N 2 2 277.328 0.165 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1)c1csnn1 ZINC001147884164 840715478 /nfs/dbraw/zinc/71/54/78/840715478.db2.gz AMIGCWOAUYLVMR-QWRGUYRKSA-N 2 2 297.428 0.647 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1csnn1 ZINC001147884164 840715487 /nfs/dbraw/zinc/71/54/87/840715487.db2.gz AMIGCWOAUYLVMR-QWRGUYRKSA-N 2 2 297.428 0.647 20 0 CCADLP C[NH+]1CC(NC(=O)c2ccc(CC[NH+]3CCCC3)nc2)C1 ZINC001147976091 840726982 /nfs/dbraw/zinc/72/69/82/840726982.db2.gz ZCXYJBQGHHBJAG-UHFFFAOYSA-N 2 2 288.395 0.764 20 0 CCADLP C[C@H](F)CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186576076 844569501 /nfs/dbraw/zinc/56/95/01/844569501.db2.gz KVSNOXUESFTXOK-WDEREUQCSA-N 2 2 268.336 0.891 20 0 CCADLP CC[C@H](C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)OC ZINC001186576068 844570508 /nfs/dbraw/zinc/57/05/08/844570508.db2.gz KPYKYPJJMLOWQQ-VXGBXAGGSA-N 2 2 280.372 0.568 20 0 CCADLP C[NH+](C)CCC(=O)N1CC2(C1)CC[N@H+](Cc1cnon1)C2 ZINC001148216083 840763465 /nfs/dbraw/zinc/76/34/65/840763465.db2.gz LRYDIKCGVVIVMF-UHFFFAOYSA-N 2 2 293.371 0.056 20 0 CCADLP C[NH+](C)CCC(=O)N1CC2(C1)CC[N@@H+](Cc1cnon1)C2 ZINC001148216083 840763469 /nfs/dbraw/zinc/76/34/69/840763469.db2.gz LRYDIKCGVVIVMF-UHFFFAOYSA-N 2 2 293.371 0.056 20 0 CCADLP CCC[N@H+](C)CCC(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001148571076 840841679 /nfs/dbraw/zinc/84/16/79/840841679.db2.gz VHLVDZVUVMSYBY-UHFFFAOYSA-N 2 2 293.415 0.723 20 0 CCADLP CCC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001148571076 840841692 /nfs/dbraw/zinc/84/16/92/840841692.db2.gz VHLVDZVUVMSYBY-UHFFFAOYSA-N 2 2 293.415 0.723 20 0 CCADLP CCN(C(=O)c1ccc(NC(N)=[NH2+])cc1)C1C[NH+](C)C1 ZINC001148646258 840862798 /nfs/dbraw/zinc/86/27/98/840862798.db2.gz QBLGCHSLWNCKHL-UHFFFAOYSA-N 2 2 275.356 0.768 20 0 CCADLP CCOCC[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001148905713 840903740 /nfs/dbraw/zinc/90/37/40/840903740.db2.gz KFIHZZWXUCTMFT-UHFFFAOYSA-N 2 2 292.383 0.454 20 0 CCADLP CCOCC[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001148905713 840903750 /nfs/dbraw/zinc/90/37/50/840903750.db2.gz KFIHZZWXUCTMFT-UHFFFAOYSA-N 2 2 292.383 0.454 20 0 CCADLP CC[N@@H+]1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001092136425 840997803 /nfs/dbraw/zinc/99/78/03/840997803.db2.gz UVSPFDCQAQZCPE-RISCZKNCSA-N 2 2 262.357 0.752 20 0 CCADLP CC[N@H+]1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001092136425 840997809 /nfs/dbraw/zinc/99/78/09/840997809.db2.gz UVSPFDCQAQZCPE-RISCZKNCSA-N 2 2 262.357 0.752 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001092319626 841007623 /nfs/dbraw/zinc/00/76/23/841007623.db2.gz UVCWJZFOTWIGST-NFAWXSAZSA-N 2 2 292.383 0.044 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001092319626 841007627 /nfs/dbraw/zinc/00/76/27/841007627.db2.gz UVCWJZFOTWIGST-NFAWXSAZSA-N 2 2 292.383 0.044 20 0 CCADLP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000713043502 841120008 /nfs/dbraw/zinc/12/00/08/841120008.db2.gz WPTXGFILIJHKOH-OLZOCXBDSA-N 2 2 285.432 0.833 20 0 CCADLP C[NH+]1CC(NC(=O)c2ccccc2N2CC[NH+](C)CC2)C1 ZINC001186906119 844620914 /nfs/dbraw/zinc/62/09/14/844620914.db2.gz ANMHCTYWPXBDLB-UHFFFAOYSA-N 2 2 288.395 0.482 20 0 CCADLP COCCC[NH2+]C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001203337616 841777381 /nfs/dbraw/zinc/77/73/81/841777381.db2.gz NMXCPXWRLYSBJE-UHFFFAOYSA-N 2 2 294.399 0.580 20 0 CCADLP COC(=O)[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172003853 841784941 /nfs/dbraw/zinc/78/49/41/841784941.db2.gz FBTHKMCFSQTZBZ-DGCLKSJQSA-N 2 2 297.399 0.400 20 0 CCADLP CCN1CC[C@@H]([NH2+][C@H](CCCC[NH3+])C(=O)OC)CC1=O ZINC001172029714 841807217 /nfs/dbraw/zinc/80/72/17/841807217.db2.gz TUJYLTUOJMCLED-VXGBXAGGSA-N 2 2 285.388 0.258 20 0 CCADLP CN(C)c1ncc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cn1 ZINC001206163187 841892387 /nfs/dbraw/zinc/89/23/87/841892387.db2.gz AJSGDBJRGCBNSQ-VXGBXAGGSA-N 2 2 267.352 0.804 20 0 CCADLP CN(C)c1ncc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)cn1 ZINC001206163187 841892400 /nfs/dbraw/zinc/89/24/00/841892400.db2.gz AJSGDBJRGCBNSQ-VXGBXAGGSA-N 2 2 267.352 0.804 20 0 CCADLP COCCC[NH+]1CCC([NH2+]CCn2cc[nH+]c2)CC1 ZINC001172243606 841904945 /nfs/dbraw/zinc/90/49/45/841904945.db2.gz PGTWKMSJNOOPFF-UHFFFAOYSA-N 3 2 266.389 0.974 20 0 CCADLP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CC(N3CC[NH+](C)CC3)C2)C1 ZINC001172638237 841948316 /nfs/dbraw/zinc/94/83/16/841948316.db2.gz VGHFRJFRGQRFTE-ZIAGYGMSSA-N 2 2 295.427 0.650 20 0 CCADLP COC(=O)[C@@H]1CCC[C@@H](NC(=[NH2+])N2CC[NH+](C)CC2)CC1 ZINC001172769171 841971212 /nfs/dbraw/zinc/97/12/12/841971212.db2.gz APDUDJFNVFJBQE-CHWSQXEVSA-N 2 2 296.415 0.880 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]CC(F)(F)C(F)F)C1 ZINC001176058427 842321837 /nfs/dbraw/zinc/32/18/37/842321837.db2.gz XHWIFVFGBLYVEW-VIFPVBQESA-N 2 2 299.312 0.934 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)NCCC[NH2+]CC(F)(F)C(F)F)C1 ZINC001176058427 842321849 /nfs/dbraw/zinc/32/18/49/842321849.db2.gz XHWIFVFGBLYVEW-VIFPVBQESA-N 2 2 299.312 0.934 20 0 CCADLP C[C@H](O)C[NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001176174278 842333096 /nfs/dbraw/zinc/33/30/96/842333096.db2.gz FCSKCTQRZHNPAW-STQMWFEESA-N 2 2 296.415 0.608 20 0 CCADLP C[C@@H](O)C[NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001176829397 842415299 /nfs/dbraw/zinc/41/52/99/842415299.db2.gz MLVQRXHXLPPKMV-CHWSQXEVSA-N 2 2 282.388 0.529 20 0 CCADLP Cc1nn(C)cc1C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177400584 842575389 /nfs/dbraw/zinc/57/53/89/842575389.db2.gz IXUOCECTGZVUNL-UHFFFAOYSA-N 2 2 290.371 0.221 20 0 CCADLP CCc1nnc(C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)o1 ZINC001177400014 842575893 /nfs/dbraw/zinc/57/58/93/842575893.db2.gz ALRVZMDLTRLQJJ-UHFFFAOYSA-N 2 2 292.343 0.125 20 0 CCADLP Cc1ccnc(C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)n1 ZINC001177401932 842577211 /nfs/dbraw/zinc/57/72/11/842577211.db2.gz YGUWPRIEQPHZMT-UHFFFAOYSA-N 2 2 288.355 0.278 20 0 CCADLP Cc1conc1C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177404571 842578754 /nfs/dbraw/zinc/57/87/54/842578754.db2.gz DTZHNGSPOPPKBA-UHFFFAOYSA-N 2 2 277.328 0.476 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CCCO)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001178932989 842936932 /nfs/dbraw/zinc/93/69/32/842936932.db2.gz YOFZAQSTIJRDEW-LOWDOPEQSA-N 2 2 292.383 0.475 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CCCO)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001178932989 842936940 /nfs/dbraw/zinc/93/69/40/842936940.db2.gz YOFZAQSTIJRDEW-LOWDOPEQSA-N 2 2 292.383 0.475 20 0 CCADLP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2cccnc2)C1)[NH+](C)C ZINC001180863904 843329123 /nfs/dbraw/zinc/32/91/23/843329123.db2.gz OXSMQTIRWZARJF-JSGCOSHPSA-N 2 2 276.384 0.722 20 0 CCADLP CCCCC[N@H+](C)CCC(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001181866709 843630620 /nfs/dbraw/zinc/63/06/20/843630620.db2.gz BLZWQBFCYOSWGY-CQSZACIVSA-N 2 2 296.415 0.941 20 0 CCADLP CCCCC[N@@H+](C)CCC(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001181866709 843630626 /nfs/dbraw/zinc/63/06/26/843630626.db2.gz BLZWQBFCYOSWGY-CQSZACIVSA-N 2 2 296.415 0.941 20 0 CCADLP CCCCC[N@H+](C)CCC(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001181866709 843630633 /nfs/dbraw/zinc/63/06/33/843630633.db2.gz BLZWQBFCYOSWGY-CQSZACIVSA-N 2 2 296.415 0.941 20 0 CCADLP CCCCC[N@@H+](C)CCC(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001181866709 843630634 /nfs/dbraw/zinc/63/06/34/843630634.db2.gz BLZWQBFCYOSWGY-CQSZACIVSA-N 2 2 296.415 0.941 20 0 CCADLP C[NH+]1CCC(O)(C(=O)NCCOc2cc[nH+]cc2)CC1 ZINC001182037052 843687352 /nfs/dbraw/zinc/68/73/52/843687352.db2.gz SNDWAEXFIYHUHL-UHFFFAOYSA-N 2 2 279.340 0.033 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2cc(F)cc3c2OCCC3)C[C@H]1O ZINC001206480651 843719625 /nfs/dbraw/zinc/71/96/25/843719625.db2.gz GXLJQBWBHZEODL-GXTWGEPZSA-N 2 2 280.343 0.902 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(F)cc3c2OCCC3)C[C@H]1O ZINC001206480651 843719632 /nfs/dbraw/zinc/71/96/32/843719632.db2.gz GXLJQBWBHZEODL-GXTWGEPZSA-N 2 2 280.343 0.902 20 0 CCADLP COc1cc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc(OC)c1OC ZINC001206512099 843821340 /nfs/dbraw/zinc/82/13/40/843821340.db2.gz ISKWSMYXDKCEDX-RYUDHWBXSA-N 2 2 296.367 0.464 20 0 CCADLP COc1cc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc(OC)c1OC ZINC001206512099 843821350 /nfs/dbraw/zinc/82/13/50/843821350.db2.gz ISKWSMYXDKCEDX-RYUDHWBXSA-N 2 2 296.367 0.464 20 0 CCADLP COCCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001187522480 844734381 /nfs/dbraw/zinc/73/43/81/844734381.db2.gz NUMKFZDWKXYDCB-CYBMUJFWSA-N 2 2 294.399 0.580 20 0 CCADLP C[C@H](F)CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001188368590 844874779 /nfs/dbraw/zinc/87/47/79/844874779.db2.gz CJHBTNQMVVIURU-NWDGAFQWSA-N 2 2 268.336 0.822 20 0 CCADLP COCCCC[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192552163 845866937 /nfs/dbraw/zinc/86/69/37/845866937.db2.gz XSIOGXAVNIDSOE-CQSZACIVSA-N 2 2 294.399 0.912 20 0 CCADLP COCCCC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192552163 845866946 /nfs/dbraw/zinc/86/69/46/845866946.db2.gz XSIOGXAVNIDSOE-CQSZACIVSA-N 2 2 294.399 0.912 20 0 CCADLP COC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193047689 845963764 /nfs/dbraw/zinc/96/37/64/845963764.db2.gz IZSIHDKWCIZBML-RYUDHWBXSA-N 2 2 280.372 0.520 20 0 CCADLP COC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193047689 845963771 /nfs/dbraw/zinc/96/37/71/845963771.db2.gz IZSIHDKWCIZBML-RYUDHWBXSA-N 2 2 280.372 0.520 20 0 CCADLP CCOCC[N@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193066514 845971793 /nfs/dbraw/zinc/97/17/93/845971793.db2.gz IQYYRFXEWJXKLA-GFCCVEGCSA-N 2 2 280.372 0.521 20 0 CCADLP CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193066514 845971798 /nfs/dbraw/zinc/97/17/98/845971798.db2.gz IQYYRFXEWJXKLA-GFCCVEGCSA-N 2 2 280.372 0.521 20 0 CCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O)[NH+](C)C ZINC001194102964 846221839 /nfs/dbraw/zinc/22/18/39/846221839.db2.gz QXPFSFMFDIWSBX-WBIMAMMNSA-N 2 2 289.807 0.240 20 0 CCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O)[NH+](C)C ZINC001194102964 846221845 /nfs/dbraw/zinc/22/18/45/846221845.db2.gz QXPFSFMFDIWSBX-WBIMAMMNSA-N 2 2 289.807 0.240 20 0 CCADLP C[N@H+](CCO)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194448304 846301473 /nfs/dbraw/zinc/30/14/73/846301473.db2.gz AVXDSFDJYMDPQK-ZDUSSCGKSA-N 2 2 280.372 0.188 20 0 CCADLP C[N@@H+](CCO)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194448304 846301478 /nfs/dbraw/zinc/30/14/78/846301478.db2.gz AVXDSFDJYMDPQK-ZDUSSCGKSA-N 2 2 280.372 0.188 20 0 CCADLP Cn1c[nH+]cc1-c1cccc(C(=O)NCC[NH2+]CCO)c1 ZINC001194907717 846415468 /nfs/dbraw/zinc/41/54/68/846415468.db2.gz QIUDTOLZFNQVLX-UHFFFAOYSA-N 2 2 288.351 0.399 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](CC2(F)CC[NH2+]CC2)CCC1(F)F ZINC001205764535 846716784 /nfs/dbraw/zinc/71/67/84/846716784.db2.gz WXEJTGVEXXLHEP-SNVBAGLBSA-N 3 2 265.323 0.994 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](CC2(F)CC[NH2+]CC2)CCC1(F)F ZINC001205764535 846716795 /nfs/dbraw/zinc/71/67/95/846716795.db2.gz WXEJTGVEXXLHEP-SNVBAGLBSA-N 3 2 265.323 0.994 20 0 CCADLP C[NH+](C)CCOCC(=O)N1CCC[N@H+](CCF)CC1 ZINC001197831755 846970223 /nfs/dbraw/zinc/97/02/23/846970223.db2.gz FAMYPCGZAUYBDJ-UHFFFAOYSA-N 2 2 275.368 0.068 20 0 CCADLP C[NH+](C)CCOCC(=O)N1CCC[N@@H+](CCF)CC1 ZINC001197831755 846970233 /nfs/dbraw/zinc/97/02/33/846970233.db2.gz FAMYPCGZAUYBDJ-UHFFFAOYSA-N 2 2 275.368 0.068 20 0 CCADLP C[NH+](C)CCN1CC2(C[NH+](CCCCF)C2)OCC1=O ZINC001273755616 847006219 /nfs/dbraw/zinc/00/62/19/847006219.db2.gz RWGGDAVIFQNMHQ-UHFFFAOYSA-N 2 2 287.379 0.211 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](C/C=C/Cl)C[C@H]1O ZINC001199096332 847223043 /nfs/dbraw/zinc/22/30/43/847223043.db2.gz PWZUMDDTRGAQSY-GKUNOOHESA-N 2 2 289.807 0.240 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C/C=C/Cl)C[C@H]1O ZINC001199096332 847223055 /nfs/dbraw/zinc/22/30/55/847223055.db2.gz PWZUMDDTRGAQSY-GKUNOOHESA-N 2 2 289.807 0.240 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O ZINC001199096332 847223066 /nfs/dbraw/zinc/22/30/66/847223066.db2.gz PWZUMDDTRGAQSY-GKUNOOHESA-N 2 2 289.807 0.240 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O ZINC001199096332 847223075 /nfs/dbraw/zinc/22/30/75/847223075.db2.gz PWZUMDDTRGAQSY-GKUNOOHESA-N 2 2 289.807 0.240 20 0 CCADLP CO[C@H](C)C[NH2+]CCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001152618873 847343867 /nfs/dbraw/zinc/34/38/67/847343867.db2.gz TXSFMQFHEANYDU-OCCSQVGLSA-N 2 2 294.399 0.425 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])NC[C@@H](O)c2ccccc2)CC1 ZINC001252003390 847571214 /nfs/dbraw/zinc/57/12/14/847571214.db2.gz RDSKEARUQCTHON-CYBMUJFWSA-N 2 2 262.357 0.492 20 0 CCADLP CCc1cnc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)s1 ZINC001200192814 847571908 /nfs/dbraw/zinc/57/19/08/847571908.db2.gz HATFEIMPHAQXRA-UHFFFAOYSA-N 2 2 296.440 0.959 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)N1[C@@H]2C[C@H]1C[N@@H+](C)C2 ZINC001273856474 847685488 /nfs/dbraw/zinc/68/54/88/847685488.db2.gz XTYDNDILCOUEQX-PHIMTYICSA-N 2 2 260.341 0.676 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)N1[C@@H]2C[C@H]1C[N@H+](C)C2 ZINC001273856474 847685493 /nfs/dbraw/zinc/68/54/93/847685493.db2.gz XTYDNDILCOUEQX-PHIMTYICSA-N 2 2 260.341 0.676 20 0 CCADLP Cc1[nH]c(C[N@H+]2CCC[C@@]3(CC(=O)N(C)C3=O)C2)c(C)[nH+]1 ZINC001273906655 847816071 /nfs/dbraw/zinc/81/60/71/847816071.db2.gz HIMBQCQIUHFPRT-OAHLLOKOSA-N 2 2 290.367 0.997 20 0 CCADLP Cc1[nH]c(C[N@@H+]2CCC[C@@]3(CC(=O)N(C)C3=O)C2)c(C)[nH+]1 ZINC001273906655 847816077 /nfs/dbraw/zinc/81/60/77/847816077.db2.gz HIMBQCQIUHFPRT-OAHLLOKOSA-N 2 2 290.367 0.997 20 0 CCADLP Cc1cnc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001273909888 847820146 /nfs/dbraw/zinc/82/01/46/847820146.db2.gz LCBHATSNRCTYFM-OOPCZODUSA-N 2 2 292.383 0.839 20 0 CCADLP COCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001110643014 847935021 /nfs/dbraw/zinc/93/50/21/847935021.db2.gz VPFBLYYQSWDDMQ-MCIONIFRSA-N 2 2 292.383 0.710 20 0 CCADLP COCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001110643014 847935025 /nfs/dbraw/zinc/93/50/25/847935025.db2.gz VPFBLYYQSWDDMQ-MCIONIFRSA-N 2 2 292.383 0.710 20 0 CCADLP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21)[NH+](C)C ZINC001114463535 848074394 /nfs/dbraw/zinc/07/43/94/848074394.db2.gz JFMVWKRIXGGPRI-RQJABVFESA-N 2 2 292.383 0.561 20 0 CCADLP CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21)[NH+](C)C ZINC001114463535 848074403 /nfs/dbraw/zinc/07/44/03/848074403.db2.gz JFMVWKRIXGGPRI-RQJABVFESA-N 2 2 292.383 0.561 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC(n2cnnc2)CC1 ZINC001253188245 848152747 /nfs/dbraw/zinc/15/27/47/848152747.db2.gz SZSGZJLUQDOEKC-CQSZACIVSA-N 2 2 281.404 0.618 20 0 CCADLP C[C@@H](CC(=O)N1CCC([NH2+]CCCO)CC1)n1cc[nH+]c1 ZINC001202699656 848211376 /nfs/dbraw/zinc/21/13/76/848211376.db2.gz NHFBPPBZONOKME-ZDUSSCGKSA-N 2 2 294.399 0.797 20 0 CCADLP C[C@H](CC(=O)N1CCC([NH2+]CCCO)CC1)n1cc[nH+]c1 ZINC001202699655 848211748 /nfs/dbraw/zinc/21/17/48/848211748.db2.gz NHFBPPBZONOKME-CYBMUJFWSA-N 2 2 294.399 0.797 20 0 CCADLP C[NH+](C)CCC(=O)NC/C=C/C[NH2+]Cc1ccon1 ZINC001274331549 848452214 /nfs/dbraw/zinc/45/22/14/848452214.db2.gz LRKPAQIGFJDEAX-ONEGZZNKSA-N 2 2 266.345 0.388 20 0 CCADLP CC[N@@H+]1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001275087266 848634446 /nfs/dbraw/zinc/63/44/46/848634446.db2.gz WPBJHGJVQVMGTA-STQMWFEESA-N 2 2 250.346 0.288 20 0 CCADLP CC[N@H+]1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001275087266 848634448 /nfs/dbraw/zinc/63/44/48/848634448.db2.gz WPBJHGJVQVMGTA-STQMWFEESA-N 2 2 250.346 0.288 20 0 CCADLP c1cn(CCN2CC3(C2)C[NH+](C[C@H]2CCOC2)C3)c[nH+]1 ZINC001275172710 848655541 /nfs/dbraw/zinc/65/55/41/848655541.db2.gz TWIBNONULXEYDR-CQSZACIVSA-N 2 2 276.384 0.537 20 0 CCADLP Cc1nn(C)c(C)c1C[NH+]1CC2(CCN2CC[NH+](C)C)C1 ZINC001275205430 848664888 /nfs/dbraw/zinc/66/48/88/848664888.db2.gz HAFQPPZLEKRXBU-UHFFFAOYSA-N 2 2 291.443 0.859 20 0 CCADLP C[NH+](C)CCN1CCC2(C[NH+](Cc3cccnn3)C2)C1 ZINC001275878229 848853281 /nfs/dbraw/zinc/85/32/81/848853281.db2.gz ONMMXRCKPFAQDQ-UHFFFAOYSA-N 2 2 275.400 0.546 20 0 CCADLP Cn1cc(C[NH+]2CC3(CCN3CC[NH+](C)C)C2)cn1 ZINC001276223968 848965397 /nfs/dbraw/zinc/96/53/97/848965397.db2.gz ZPVWLFPQUKJHPM-UHFFFAOYSA-N 2 2 263.389 0.242 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CCO1 ZINC000037917862 849278328 /nfs/dbraw/zinc/27/83/28/849278328.db2.gz DBVTVGHGGYAYIU-ILXRZTDVSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CCO1 ZINC000037917862 849278340 /nfs/dbraw/zinc/27/83/40/849278340.db2.gz DBVTVGHGGYAYIU-ILXRZTDVSA-N 2 2 295.427 0.698 20 0 CCADLP COCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001038344440 849858475 /nfs/dbraw/zinc/85/84/75/849858475.db2.gz GINYQUWBHLPZMC-CHWSQXEVSA-N 2 2 292.383 0.597 20 0 CCADLP COCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001038344440 849858480 /nfs/dbraw/zinc/85/84/80/849858480.db2.gz GINYQUWBHLPZMC-CHWSQXEVSA-N 2 2 292.383 0.597 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@]2(C1)CCC[N@@H+](CCO)C2 ZINC001040471163 850294841 /nfs/dbraw/zinc/29/48/41/850294841.db2.gz PWRYGZUSSUTIKI-OAHLLOKOSA-N 2 2 292.383 0.259 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@]2(C1)CCC[N@H+](CCO)C2 ZINC001040471163 850294851 /nfs/dbraw/zinc/29/48/51/850294851.db2.gz PWRYGZUSSUTIKI-OAHLLOKOSA-N 2 2 292.383 0.259 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@]3(CC[NH+](CCF)C3)C2)C1 ZINC001041168811 850391000 /nfs/dbraw/zinc/39/10/00/850391000.db2.gz WWEOYMLNRDQPPL-ZFWWWQNUSA-N 2 2 299.390 0.211 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@]3(CC[NH+](CCF)C3)C2)C1 ZINC001041168811 850391002 /nfs/dbraw/zinc/39/10/02/850391002.db2.gz WWEOYMLNRDQPPL-ZFWWWQNUSA-N 2 2 299.390 0.211 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@]3(CC[N@H+](CCF)C3)C2)C1 ZINC001041168811 850391009 /nfs/dbraw/zinc/39/10/09/850391009.db2.gz WWEOYMLNRDQPPL-ZFWWWQNUSA-N 2 2 299.390 0.211 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@]3(CC[N@@H+](CCF)C3)C2)C1 ZINC001041168811 850391018 /nfs/dbraw/zinc/39/10/18/850391018.db2.gz WWEOYMLNRDQPPL-ZFWWWQNUSA-N 2 2 299.390 0.211 20 0 CCADLP CC(C)CC[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042570733 850700597 /nfs/dbraw/zinc/70/05/97/850700597.db2.gz IHMQNLISEQWWLA-CQSZACIVSA-N 2 2 283.416 0.506 20 0 CCADLP CC(C)CC[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042570733 850700602 /nfs/dbraw/zinc/70/06/02/850700602.db2.gz IHMQNLISEQWWLA-CQSZACIVSA-N 2 2 283.416 0.506 20 0 CCADLP COC[C@H](C)[NH+]1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001043218318 850836903 /nfs/dbraw/zinc/83/69/03/850836903.db2.gz RHGHIHLURXIHJN-ZDUSSCGKSA-N 2 2 295.427 0.792 20 0 CCADLP CN(C(=O)c1ccc(C[NH+](C)C)cc1)C1C[NH+](CCO)C1 ZINC001044056027 850994017 /nfs/dbraw/zinc/99/40/17/850994017.db2.gz LSPDROPHZLVSKE-UHFFFAOYSA-N 2 2 291.395 0.497 20 0 CCADLP CCC[NH+]1CC(N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001044191163 851038345 /nfs/dbraw/zinc/03/83/45/851038345.db2.gz PNIJHTOKAVIPHP-UHFFFAOYSA-N 2 2 250.346 0.515 20 0 CCADLP CN(C(=O)Cn1cc[nH+]c1)C1C[NH+](C[C@@H]2CCCOC2)C1 ZINC001044364968 851086550 /nfs/dbraw/zinc/08/65/50/851086550.db2.gz GNULKZFLYIAAMA-ZDUSSCGKSA-N 2 2 292.383 0.452 20 0 CCADLP CC(C)[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001045329603 851234225 /nfs/dbraw/zinc/23/42/25/851234225.db2.gz JUNGRTGKVNUXKV-LBPRGKRZSA-N 2 2 250.346 0.872 20 0 CCADLP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)Cn1cc[nH+]c1 ZINC000900786075 851510401 /nfs/dbraw/zinc/51/04/01/851510401.db2.gz JXEJZAAQCMQQDT-LBPRGKRZSA-N 2 2 262.357 0.731 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001048489298 851963291 /nfs/dbraw/zinc/96/32/91/851963291.db2.gz JYUBXXZDGNBOQI-NWDGAFQWSA-N 2 2 250.346 0.587 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001048970086 852123731 /nfs/dbraw/zinc/12/37/31/852123731.db2.gz BFFSMPHWAIABKD-MCIONIFRSA-N 2 2 292.383 0.044 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001048970086 852123734 /nfs/dbraw/zinc/12/37/34/852123734.db2.gz BFFSMPHWAIABKD-MCIONIFRSA-N 2 2 292.383 0.044 20 0 CCADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCO[C@]23CCOC3)C1 ZINC000903104682 852138986 /nfs/dbraw/zinc/13/89/86/852138986.db2.gz KXHTYGMVHPNPID-MCIONIFRSA-N 2 2 254.374 0.866 20 0 CCADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCO[C@]23CCOC3)C1 ZINC000903104682 852138994 /nfs/dbraw/zinc/13/89/94/852138994.db2.gz KXHTYGMVHPNPID-MCIONIFRSA-N 2 2 254.374 0.866 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@@H+](CCCF)C[C@@H]2C1 ZINC001049173634 852185105 /nfs/dbraw/zinc/18/51/05/852185105.db2.gz DVBNPVTVOIXYKC-BETUJISGSA-N 2 2 294.374 0.712 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[N@H+](CCCF)C[C@@H]2C1 ZINC001049173634 852185109 /nfs/dbraw/zinc/18/51/09/852185109.db2.gz DVBNPVTVOIXYKC-BETUJISGSA-N 2 2 294.374 0.712 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCF ZINC001097552899 852545909 /nfs/dbraw/zinc/54/59/09/852545909.db2.gz IUVZCBDJFBSKNG-UPJWGTAASA-N 2 2 280.347 0.883 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCF ZINC001097552899 852545911 /nfs/dbraw/zinc/54/59/11/852545911.db2.gz IUVZCBDJFBSKNG-UPJWGTAASA-N 2 2 280.347 0.883 20 0 CCADLP Cc1nc(N[C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001097864362 852634449 /nfs/dbraw/zinc/63/44/49/852634449.db2.gz CYYZKTWVTDZRGW-PWSUYJOCSA-N 2 2 277.372 0.653 20 0 CCADLP Cc1nc(N[C@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001097864362 852634452 /nfs/dbraw/zinc/63/44/52/852634452.db2.gz CYYZKTWVTDZRGW-PWSUYJOCSA-N 2 2 277.372 0.653 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCC[N@H+](CCF)CC1 ZINC001052748521 852649118 /nfs/dbraw/zinc/64/91/18/852649118.db2.gz NFKBHFPOOMTDFQ-LLVKDONJSA-N 2 2 268.336 0.892 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCC[N@@H+](CCF)CC1 ZINC001052748521 852649113 /nfs/dbraw/zinc/64/91/13/852649113.db2.gz NFKBHFPOOMTDFQ-LLVKDONJSA-N 2 2 268.336 0.892 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001052869025 852665663 /nfs/dbraw/zinc/66/56/63/852665663.db2.gz AEACPVZEJCMVDF-CHWSQXEVSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001052869025 852665665 /nfs/dbraw/zinc/66/56/65/852665665.db2.gz AEACPVZEJCMVDF-CHWSQXEVSA-N 2 2 294.399 0.314 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)C13CC[NH+](CC1)C3)CCO2 ZINC001053510203 852751508 /nfs/dbraw/zinc/75/15/08/852751508.db2.gz BEYQKAFEVVWXFA-UHFFFAOYSA-N 2 2 293.411 0.405 20 0 CCADLP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1[NH2+]CCF ZINC001054828881 853020401 /nfs/dbraw/zinc/02/04/01/853020401.db2.gz CBAZFZDUFIYWOK-ZWNOBZJWSA-N 2 2 298.362 0.756 20 0 CCADLP Cc1nc(N[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)cc[nH+]1 ZINC001056644373 853180626 /nfs/dbraw/zinc/18/06/26/853180626.db2.gz UQVONASGYYIEFK-CYBMUJFWSA-N 2 2 289.383 0.894 20 0 CCADLP CC(C)(C(=O)N1CCC[C@@H]([NH2+]CCO)C1)c1c[nH+]c[nH]1 ZINC001000701664 853246873 /nfs/dbraw/zinc/24/68/73/853246873.db2.gz KYROMOHDMOTCFA-LLVKDONJSA-N 2 2 280.372 0.260 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCC[NH+]1CC1CCC1 ZINC001050849086 853461269 /nfs/dbraw/zinc/46/12/69/853461269.db2.gz SMAAKTRRKUHLIC-CABCVRRESA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1COCC[NH+]1CC1CCC1 ZINC001050849086 853461272 /nfs/dbraw/zinc/46/12/72/853461272.db2.gz SMAAKTRRKUHLIC-CABCVRRESA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001050849086 853461278 /nfs/dbraw/zinc/46/12/78/853461278.db2.gz SMAAKTRRKUHLIC-CABCVRRESA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001050849086 853461285 /nfs/dbraw/zinc/46/12/85/853461285.db2.gz SMAAKTRRKUHLIC-CABCVRRESA-N 2 2 295.427 0.698 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001050922002 853486771 /nfs/dbraw/zinc/48/67/71/853486771.db2.gz WGFBZYKVVQAFAW-KBPBESRZSA-N 2 2 281.400 0.165 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001050922002 853486774 /nfs/dbraw/zinc/48/67/74/853486774.db2.gz WGFBZYKVVQAFAW-KBPBESRZSA-N 2 2 281.400 0.165 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001050953546 853493857 /nfs/dbraw/zinc/49/38/57/853493857.db2.gz HIAURYOHWGXROE-HUUCEWRRSA-N 2 2 297.443 0.801 20 0 CCADLP CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC[NH+](CC(C)C)C1 ZINC001050953546 853493862 /nfs/dbraw/zinc/49/38/62/853493862.db2.gz HIAURYOHWGXROE-HUUCEWRRSA-N 2 2 297.443 0.801 20 0 CCADLP CC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001050953546 853493864 /nfs/dbraw/zinc/49/38/64/853493864.db2.gz HIAURYOHWGXROE-HUUCEWRRSA-N 2 2 297.443 0.801 20 0 CCADLP CC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001050953546 853493866 /nfs/dbraw/zinc/49/38/66/853493866.db2.gz HIAURYOHWGXROE-HUUCEWRRSA-N 2 2 297.443 0.801 20 0 CCADLP CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001051086147 853521837 /nfs/dbraw/zinc/52/18/37/853521837.db2.gz JMWAGPAURZGUIZ-KKUMJFAQSA-N 2 2 297.443 0.944 20 0 CCADLP CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001051086147 853521840 /nfs/dbraw/zinc/52/18/40/853521840.db2.gz JMWAGPAURZGUIZ-KKUMJFAQSA-N 2 2 297.443 0.944 20 0 CCADLP CCC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001051086147 853521845 /nfs/dbraw/zinc/52/18/45/853521845.db2.gz JMWAGPAURZGUIZ-KKUMJFAQSA-N 2 2 297.443 0.944 20 0 CCADLP CCC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001051086147 853521850 /nfs/dbraw/zinc/52/18/50/853521850.db2.gz JMWAGPAURZGUIZ-KKUMJFAQSA-N 2 2 297.443 0.944 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001051188961 853543705 /nfs/dbraw/zinc/54/37/05/853543705.db2.gz HRWWDVAGVWXSKB-HNNXBMFYSA-N 2 2 297.443 0.944 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001051188961 853543708 /nfs/dbraw/zinc/54/37/08/853543708.db2.gz HRWWDVAGVWXSKB-HNNXBMFYSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[NH2+]C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CCO1 ZINC001051581860 853604578 /nfs/dbraw/zinc/60/45/78/853604578.db2.gz PILNHVAAYOADCC-LBPRGKRZSA-N 2 2 280.372 0.568 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CCO[C@H](C[NH2+]CC2CC2)C1 ZINC001051648373 853617035 /nfs/dbraw/zinc/61/70/35/853617035.db2.gz LYQPKWRDOURLIB-CQSZACIVSA-N 2 2 292.383 0.569 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CCO[C@H](C[NH2+]CC2CC2)C1 ZINC001051648373 853617038 /nfs/dbraw/zinc/61/70/38/853617038.db2.gz LYQPKWRDOURLIB-CQSZACIVSA-N 2 2 292.383 0.569 20 0 CCADLP CC(C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001051902459 853656438 /nfs/dbraw/zinc/65/64/38/853656438.db2.gz GJRQVIAHQLATED-CYBMUJFWSA-N 2 2 280.372 0.188 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)CC[N@H+](CCF)C2 ZINC001073151461 854538434 /nfs/dbraw/zinc/53/84/34/854538434.db2.gz MGVOARFFGHSHMX-UHFFFAOYSA-N 2 2 280.347 0.764 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)CC[N@@H+](CCF)C2 ZINC001073151461 854538439 /nfs/dbraw/zinc/53/84/39/854538439.db2.gz MGVOARFFGHSHMX-UHFFFAOYSA-N 2 2 280.347 0.764 20 0 CCADLP Cc1nc(N(C)CCNC(=O)CCC[NH+](C)C)cc[nH+]1 ZINC001100286587 854708566 /nfs/dbraw/zinc/70/85/66/854708566.db2.gz GBZBJVKLLJGJDR-UHFFFAOYSA-N 2 2 279.388 0.679 20 0 CCADLP CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001074407691 854726607 /nfs/dbraw/zinc/72/66/07/854726607.db2.gz JEJCFFNKTOAUOV-LSDHHAIUSA-N 2 2 295.427 0.794 20 0 CCADLP CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001074407691 854726609 /nfs/dbraw/zinc/72/66/09/854726609.db2.gz JEJCFFNKTOAUOV-LSDHHAIUSA-N 2 2 295.427 0.794 20 0 CCADLP CC(C)[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001074581917 854752593 /nfs/dbraw/zinc/75/25/93/854752593.db2.gz YJSJMKCJVRVXEQ-RWMBFGLXSA-N 2 2 269.389 0.304 20 0 CCADLP CC(C)[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001074581917 854752602 /nfs/dbraw/zinc/75/26/02/854752602.db2.gz YJSJMKCJVRVXEQ-RWMBFGLXSA-N 2 2 269.389 0.304 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC[N@@H+](CCCF)C[C@@H]1O ZINC001099871423 855014071 /nfs/dbraw/zinc/01/40/71/855014071.db2.gz DANDLVZIYLFBQA-STQMWFEESA-N 2 2 298.362 0.253 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC[N@H+](CCCF)C[C@@H]1O ZINC001099871423 855014078 /nfs/dbraw/zinc/01/40/78/855014078.db2.gz DANDLVZIYLFBQA-STQMWFEESA-N 2 2 298.362 0.253 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC[N@@H+](CCCF)C[C@@H]1O ZINC001099871423 855014087 /nfs/dbraw/zinc/01/40/87/855014087.db2.gz DANDLVZIYLFBQA-STQMWFEESA-N 2 2 298.362 0.253 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC[N@H+](CCCF)C[C@@H]1O ZINC001099871423 855014092 /nfs/dbraw/zinc/01/40/92/855014092.db2.gz DANDLVZIYLFBQA-STQMWFEESA-N 2 2 298.362 0.253 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCC1CC([NH2+]CCCO)C1 ZINC001100290687 855139420 /nfs/dbraw/zinc/13/94/20/855139420.db2.gz FSDTWKLHYOTMKK-UHFFFAOYSA-N 2 2 280.372 0.209 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC1CC([NH2+]CCCO)C1 ZINC001100392367 855160182 /nfs/dbraw/zinc/16/01/82/855160182.db2.gz GSQFTIPIZKEUSM-UHFFFAOYSA-N 2 2 280.372 0.209 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC1CC([NH2+]CCCO)C1 ZINC001100392367 855160184 /nfs/dbraw/zinc/16/01/84/855160184.db2.gz GSQFTIPIZKEUSM-UHFFFAOYSA-N 2 2 280.372 0.209 20 0 CCADLP CC(C)OCC[NH2+]C1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001100710069 855212934 /nfs/dbraw/zinc/21/29/34/855212934.db2.gz AQHYDVALGGCOLS-UHFFFAOYSA-N 2 2 294.399 0.862 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC1CC([NH2+]CCF)C1 ZINC001100710307 855213203 /nfs/dbraw/zinc/21/32/03/855213203.db2.gz LXYPHXTYSWSZAZ-UHFFFAOYSA-N 2 2 254.309 0.406 20 0 CCADLP COC[C@H](C)[NH2+]C1CC(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001100871352 855233602 /nfs/dbraw/zinc/23/36/02/855233602.db2.gz NRVFTLYCZVPUML-HIFPTAJRSA-N 2 2 294.399 0.482 20 0 CCADLP C[C@@H](CC(=O)N1CCOCC1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001256320723 855241143 /nfs/dbraw/zinc/24/11/43/855241143.db2.gz VWXWGXIARPWBQX-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H](CC(=O)N1CCOCC1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC001256320723 855241145 /nfs/dbraw/zinc/24/11/45/855241145.db2.gz VWXWGXIARPWBQX-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cccnc1 ZINC001118607815 856364559 /nfs/dbraw/zinc/36/45/59/856364559.db2.gz DLFGVQXYCFQVNT-VIFPVBQESA-N 2 2 259.313 0.887 20 0 CCADLP C[C@H]1[NH2+]CCN(C(=O)NCc2c[nH+]cn2C)[C@H]1C ZINC001119482634 856702132 /nfs/dbraw/zinc/70/21/32/856702132.db2.gz LDVDIVVNFPUFAG-ZJUUUORDSA-N 2 2 251.334 0.312 20 0 CCADLP Cn1nc2c(c1C[NH2+]C1CC[NH+](C)CC1)COCC2 ZINC001119674970 856829719 /nfs/dbraw/zinc/82/97/19/856829719.db2.gz QISZQTKMVJXWBU-UHFFFAOYSA-N 2 2 264.373 0.677 20 0 CCADLP C[C@@H]1CCC[C@H]1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001120503885 857096030 /nfs/dbraw/zinc/09/60/30/857096030.db2.gz BDDMVFHNFCDXKL-DGCLKSJQSA-N 2 2 268.405 0.897 20 0 CCADLP CC[C@H](C(=O)N(C)C1CN(Cc2c[nH+]cn2C)C1)[NH+](C)C ZINC001393001470 912322088 /nfs/dbraw/zinc/32/20/88/912322088.db2.gz PDKUEIHLRXGSFC-CQSZACIVSA-N 2 2 293.415 0.403 20 0 CCADLP CN(C(=O)CC[NH+](C)C)C1C[NH+](CCc2ccns2)C1 ZINC001393016360 912331502 /nfs/dbraw/zinc/33/15/02/912331502.db2.gz XMQNNYUVNBTSBE-UHFFFAOYSA-N 2 2 296.440 0.780 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@](C)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001393108610 912397870 /nfs/dbraw/zinc/39/78/70/912397870.db2.gz KCDKDZOUQIMBHK-WFASDCNBSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@](C)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001393108610 912397886 /nfs/dbraw/zinc/39/78/86/912397886.db2.gz KCDKDZOUQIMBHK-WFASDCNBSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@](C)(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001393108610 912397903 /nfs/dbraw/zinc/39/79/03/912397903.db2.gz KCDKDZOUQIMBHK-WFASDCNBSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@](C)(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001393108610 912397917 /nfs/dbraw/zinc/39/79/17/912397917.db2.gz KCDKDZOUQIMBHK-WFASDCNBSA-N 2 2 294.399 0.958 20 0 CCADLP CC[C@H](C)C[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001393580882 912659527 /nfs/dbraw/zinc/65/95/27/912659527.db2.gz DZUYVIHJVPCMEP-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@H]2C[NH2+]CCO)c[nH+]1 ZINC001324180480 912706893 /nfs/dbraw/zinc/70/68/93/912706893.db2.gz IYDUWLZVGMHEJH-ZDUSSCGKSA-N 2 2 294.399 0.500 20 0 CCADLP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1nncs1 ZINC001399048058 915024826 /nfs/dbraw/zinc/02/48/26/915024826.db2.gz SECKOHWLZWRMIF-SNVBAGLBSA-N 2 2 297.428 0.474 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]1C[NH2+]CCF ZINC001324236050 912732832 /nfs/dbraw/zinc/73/28/32/912732832.db2.gz NWJFWUFVXUHFJJ-LLVKDONJSA-N 2 2 254.309 0.502 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001394150133 913049271 /nfs/dbraw/zinc/04/92/71/913049271.db2.gz NSTMHWXBWSFXNM-ZDUSSCGKSA-N 2 2 283.416 0.432 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001394150133 913049285 /nfs/dbraw/zinc/04/92/85/913049285.db2.gz NSTMHWXBWSFXNM-ZDUSSCGKSA-N 2 2 283.416 0.432 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001394281003 913112972 /nfs/dbraw/zinc/11/29/72/913112972.db2.gz HDWOECCRDBBAIM-OLZOCXBDSA-N 2 2 294.399 0.481 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001394281003 913112979 /nfs/dbraw/zinc/11/29/79/913112979.db2.gz HDWOECCRDBBAIM-OLZOCXBDSA-N 2 2 294.399 0.481 20 0 CCADLP CC1CC(C[NH2+][C@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001394633504 913330401 /nfs/dbraw/zinc/33/04/01/913330401.db2.gz QBKFWEXNXLUXLK-XIVSLSHWSA-N 2 2 280.372 0.065 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C(C)(C)C ZINC001394818841 913450819 /nfs/dbraw/zinc/45/08/19/913450819.db2.gz BQSNLXAJUXVPNX-YPMHNXCESA-N 2 2 296.415 0.844 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H](NC(=O)CCc1c[nH+]c[nH]1)C(C)(C)C ZINC001394818841 913450827 /nfs/dbraw/zinc/45/08/27/913450827.db2.gz BQSNLXAJUXVPNX-YPMHNXCESA-N 2 2 296.415 0.844 20 0 CCADLP C[C@H]1C[C@H](C[N@H+](C)CCNC(=O)Cc2c[nH]c[nH+]2)CCO1 ZINC001480918058 891803495 /nfs/dbraw/zinc/80/34/95/891803495.db2.gz VYGUBJAVJOWRJW-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H]1C[C@H](C[N@@H+](C)CCNC(=O)Cc2c[nH]c[nH+]2)CCO1 ZINC001480918058 891803503 /nfs/dbraw/zinc/80/35/03/891803503.db2.gz VYGUBJAVJOWRJW-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001283629467 891968368 /nfs/dbraw/zinc/96/83/68/891968368.db2.gz JHZBXWAHGGRWNR-OLZOCXBDSA-N 2 2 294.399 0.528 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[N@H+](C[C@H]1CCOC1)C1CC1 ZINC001481198763 892297721 /nfs/dbraw/zinc/29/77/21/892297721.db2.gz CLDKOZIZSRMJCJ-CYBMUJFWSA-N 2 2 292.383 0.500 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC001481198763 892297741 /nfs/dbraw/zinc/29/77/41/892297741.db2.gz CLDKOZIZSRMJCJ-CYBMUJFWSA-N 2 2 292.383 0.500 20 0 CCADLP Cc1ncc(C[NH2+]CCN(C)C(=O)Cc2[nH]cc[nH+]2)cn1 ZINC001481295088 892542607 /nfs/dbraw/zinc/54/26/07/892542607.db2.gz NEAJIZHCMMCRFB-UHFFFAOYSA-N 2 2 288.355 0.299 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C(C)(C)C[NH3+] ZINC001342195224 892714243 /nfs/dbraw/zinc/71/42/43/892714243.db2.gz AAOGLJJYFLBDMJ-LLVKDONJSA-N 2 2 257.378 0.150 20 0 CCADLP CN(C(=O)C[C@H]([NH3+])C(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001343458574 892927766 /nfs/dbraw/zinc/92/77/66/892927766.db2.gz MHQGBRCFSWNUDM-WPXGONGXSA-N 2 2 261.316 0.710 20 0 CCADLP C[C@H](O)C[NH2+]CC[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001481991018 893299997 /nfs/dbraw/zinc/29/99/97/893299997.db2.gz IMYMSIDDHLYUKH-UONOGXRCSA-N 2 2 294.399 0.482 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC001361726533 893329441 /nfs/dbraw/zinc/32/94/41/893329441.db2.gz HMLWPHORVRCMEZ-ZIAGYGMSSA-N 2 2 283.416 0.554 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC001361726533 893329460 /nfs/dbraw/zinc/32/94/60/893329460.db2.gz HMLWPHORVRCMEZ-ZIAGYGMSSA-N 2 2 283.416 0.554 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001361726533 893329478 /nfs/dbraw/zinc/32/94/78/893329478.db2.gz HMLWPHORVRCMEZ-ZIAGYGMSSA-N 2 2 283.416 0.554 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001361726533 893329493 /nfs/dbraw/zinc/32/94/93/893329493.db2.gz HMLWPHORVRCMEZ-ZIAGYGMSSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1cnn(C)c1 ZINC001482176191 893462567 /nfs/dbraw/zinc/46/25/67/893462567.db2.gz SBQIFJLIOPOLPN-LBPRGKRZSA-N 2 2 290.371 0.159 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC001326242717 913843197 /nfs/dbraw/zinc/84/31/97/913843197.db2.gz WFSFVRCHIISUMT-NSHDSACASA-N 2 2 250.346 0.421 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC001326242717 913843209 /nfs/dbraw/zinc/84/32/09/913843209.db2.gz WFSFVRCHIISUMT-NSHDSACASA-N 2 2 250.346 0.421 20 0 CCADLP CC(C)[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]CCO ZINC001482535296 894202635 /nfs/dbraw/zinc/20/26/35/894202635.db2.gz YLUKPMSAEWVDGH-GFCCVEGCSA-N 2 2 268.361 0.065 20 0 CCADLP CC(C)[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]CCO ZINC001482535296 894202651 /nfs/dbraw/zinc/20/26/51/894202651.db2.gz YLUKPMSAEWVDGH-GFCCVEGCSA-N 2 2 268.361 0.065 20 0 CCADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+](C)CC(N)=O ZINC001482633855 894433795 /nfs/dbraw/zinc/43/37/95/894433795.db2.gz PFJNZKJZOMQRRC-ZDUSSCGKSA-N 2 2 298.431 0.125 20 0 CCADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+](C)CC(N)=O ZINC001482633855 894433805 /nfs/dbraw/zinc/43/38/05/894433805.db2.gz PFJNZKJZOMQRRC-ZDUSSCGKSA-N 2 2 298.431 0.125 20 0 CCADLP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)CC[N@H+](C)CC(N)=O ZINC001482633855 894433810 /nfs/dbraw/zinc/43/38/10/894433810.db2.gz PFJNZKJZOMQRRC-ZDUSSCGKSA-N 2 2 298.431 0.125 20 0 CCADLP CC(C)[NH+]1CCCC[C@H]1C(=O)N(C)CC[N@@H+](C)CC(N)=O ZINC001482633855 894433815 /nfs/dbraw/zinc/43/38/15/894433815.db2.gz PFJNZKJZOMQRRC-ZDUSSCGKSA-N 2 2 298.431 0.125 20 0 CCADLP C[C@@H](O)C[N@H+](C)CCN(C)C(=O)CCCn1cc[nH+]c1 ZINC001482655140 894452501 /nfs/dbraw/zinc/45/25/01/894452501.db2.gz VTZBKBDCQQGMJG-CYBMUJFWSA-N 2 2 282.388 0.434 20 0 CCADLP C[C@@H](O)C[N@@H+](C)CCN(C)C(=O)CCCn1cc[nH+]c1 ZINC001482655140 894452510 /nfs/dbraw/zinc/45/25/10/894452510.db2.gz VTZBKBDCQQGMJG-CYBMUJFWSA-N 2 2 282.388 0.434 20 0 CCADLP CC(C)(C)CC[NH2+]C[C@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001482734695 894536202 /nfs/dbraw/zinc/53/62/02/894536202.db2.gz GLEIDVZZDWEHFU-ZDUSSCGKSA-N 2 2 296.415 0.845 20 0 CCADLP CC(C)(C)CC[NH2+]C[C@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001482734695 894536217 /nfs/dbraw/zinc/53/62/17/894536217.db2.gz GLEIDVZZDWEHFU-ZDUSSCGKSA-N 2 2 296.415 0.845 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)C[NH2+]CC[C@@H](C)F ZINC001482788806 894602475 /nfs/dbraw/zinc/60/24/75/894602475.db2.gz QUIPQRYBCCIBFQ-KOLCDFICSA-N 2 2 286.351 0.075 20 0 CCADLP CCN(CC[NH2+]Cc1cc(C)no1)C(=O)Cc1c[nH+]c[nH]1 ZINC001482952503 894720819 /nfs/dbraw/zinc/72/08/19/894720819.db2.gz MKJRUGBCDQXKSK-UHFFFAOYSA-N 2 2 291.355 0.887 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC/C=C\C[NH2+]CC[C@H]1CCCO1 ZINC001483065046 894869425 /nfs/dbraw/zinc/86/94/25/894869425.db2.gz OZCOAEUMGQNIDQ-DDGIKZQJSA-N 2 2 292.383 0.783 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC/C=C\C[NH2+]Cc1cccnc1 ZINC001483081813 894883895 /nfs/dbraw/zinc/88/38/95/894883895.db2.gz FOPVEYZRCYMHSI-IHWYPQMZSA-N 2 2 299.378 0.820 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC/C=C\C[NH2+]C/C=C\Cl ZINC001483101078 894901337 /nfs/dbraw/zinc/90/13/37/894901337.db2.gz ULAVIWYEZVUWAN-LOKDLIDFSA-N 2 2 268.748 0.898 20 0 CCADLP C[C@H](C[NH2+]CC1CCOCC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001483133979 895008516 /nfs/dbraw/zinc/00/85/16/895008516.db2.gz BMFMGHDVTINBHD-GFCCVEGCSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@H](C[NH2+]CC1CCOCC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001483133979 895008535 /nfs/dbraw/zinc/00/85/35/895008535.db2.gz BMFMGHDVTINBHD-GFCCVEGCSA-N 2 2 294.399 0.863 20 0 CCADLP CNC(=O)C[NH2+]C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001483141222 895019909 /nfs/dbraw/zinc/01/99/09/895019909.db2.gz RJKNGZHTKHYDIS-SECBINFHSA-N 2 2 289.339 0.017 20 0 CCADLP Cc1csc(C[NH2+]C[C@@H](C)NC(=O)Cn2cc[nH+]c2)n1 ZINC001483199407 895087034 /nfs/dbraw/zinc/08/70/34/895087034.db2.gz HJJNWGSRGZDTKV-SNVBAGLBSA-N 2 2 293.396 0.943 20 0 CCADLP C[C@H](C[NH2+]CCC1CCOCC1)NC(=O)Cn1cc[nH+]c1 ZINC001483199514 895089025 /nfs/dbraw/zinc/08/90/25/895089025.db2.gz LMSFNRQAKWYQAK-CYBMUJFWSA-N 2 2 294.399 0.794 20 0 CCADLP CO[C@@H](C)C[N@H+](C)[C@@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001409644400 895302476 /nfs/dbraw/zinc/30/24/76/895302476.db2.gz VPDQYORRPDUCDC-STQMWFEESA-N 2 2 296.415 0.824 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)[C@@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001409644400 895302491 /nfs/dbraw/zinc/30/24/91/895302491.db2.gz VPDQYORRPDUCDC-STQMWFEESA-N 2 2 296.415 0.824 20 0 CCADLP Cc1nc(C[NH2+]C[C@H](C)NC(=O)Cn2cc[nH+]c2)cs1 ZINC001483299733 895420017 /nfs/dbraw/zinc/42/00/17/895420017.db2.gz JLBIGHUVSWEHHX-JTQLQIEISA-N 2 2 293.396 0.943 20 0 CCADLP COCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001483442583 895570601 /nfs/dbraw/zinc/57/06/01/895570601.db2.gz MXZKRJNIFXSFKX-OCCSQVGLSA-N 2 2 294.399 0.863 20 0 CCADLP CO[C@H](C[NH2+]CCN(C)C(=O)Cc1c[nH+]c[nH]1)C1CCC1 ZINC001493708322 895992876 /nfs/dbraw/zinc/99/28/76/895992876.db2.gz GTFHKWHWOGXMOM-CQSZACIVSA-N 2 2 294.399 0.815 20 0 CCADLP CN(C(=O)CCn1cc[nH+]c1)C1C[NH+](C[C@H]2CCOC2)C1 ZINC001483873148 896098837 /nfs/dbraw/zinc/09/88/37/896098837.db2.gz OPJQLWWAYBJTIU-CYBMUJFWSA-N 2 2 292.383 0.452 20 0 CCADLP CC[N@H+](C)CCC(=O)N[C@@]1(CO)CCC[NH+](CCF)C1 ZINC001484445492 896410262 /nfs/dbraw/zinc/41/02/62/896410262.db2.gz HMHOAAZXQYSFKT-AWEZNQCLSA-N 2 2 289.395 0.241 20 0 CCADLP CC[N@@H+](C)CCC(=O)N[C@@]1(CO)CCC[NH+](CCF)C1 ZINC001484445492 896410271 /nfs/dbraw/zinc/41/02/71/896410271.db2.gz HMHOAAZXQYSFKT-AWEZNQCLSA-N 2 2 289.395 0.241 20 0 CCADLP CC[NH+](C)CCC(=O)N[C@@]1(CO)CCC[N@H+](CCF)C1 ZINC001484445492 896410277 /nfs/dbraw/zinc/41/02/77/896410277.db2.gz HMHOAAZXQYSFKT-AWEZNQCLSA-N 2 2 289.395 0.241 20 0 CCADLP CC[NH+](C)CCC(=O)N[C@@]1(CO)CCC[N@@H+](CCF)C1 ZINC001484445492 896410293 /nfs/dbraw/zinc/41/02/93/896410293.db2.gz HMHOAAZXQYSFKT-AWEZNQCLSA-N 2 2 289.395 0.241 20 0 CCADLP Cc1ncc(C[N@H+](C)CCNC(=O)C[NH+]2CCCC2)cn1 ZINC001492857053 914071589 /nfs/dbraw/zinc/07/15/89/914071589.db2.gz JHMIKMRTCAEEEI-UHFFFAOYSA-N 2 2 291.399 0.429 20 0 CCADLP Cc1ncc(C[N@@H+](C)CCNC(=O)C[NH+]2CCCC2)cn1 ZINC001492857053 914071605 /nfs/dbraw/zinc/07/16/05/914071605.db2.gz JHMIKMRTCAEEEI-UHFFFAOYSA-N 2 2 291.399 0.429 20 0 CCADLP C[C@H](C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)n1cc[nH+]c1 ZINC001326673789 914091475 /nfs/dbraw/zinc/09/14/75/914091475.db2.gz BGJOLBBWCUSFEB-AXFHLTTASA-N 2 2 252.318 0.019 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1[nH]cc[nH+]1 ZINC001032379025 897367784 /nfs/dbraw/zinc/36/77/84/897367784.db2.gz FJYWBLSKCPKNJU-WOPDTQHZSA-N 2 2 278.356 0.008 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1[nH]cc[nH+]1 ZINC001032379025 897367799 /nfs/dbraw/zinc/36/77/99/897367799.db2.gz FJYWBLSKCPKNJU-WOPDTQHZSA-N 2 2 278.356 0.008 20 0 CCADLP COCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1[nH]cc[nH+]1 ZINC001032379081 897370064 /nfs/dbraw/zinc/37/00/64/897370064.db2.gz HDEUNKRCODBCQI-RYUDHWBXSA-N 2 2 278.356 0.274 20 0 CCADLP COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1[nH]cc[nH+]1 ZINC001032379081 897370076 /nfs/dbraw/zinc/37/00/76/897370076.db2.gz HDEUNKRCODBCQI-RYUDHWBXSA-N 2 2 278.356 0.274 20 0 CCADLP COC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]cn1C ZINC001032733439 898030943 /nfs/dbraw/zinc/03/09/43/898030943.db2.gz VZHRMNVAZSRHNF-UBHSHLNASA-N 2 2 292.383 0.283 20 0 CCADLP COC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]cn1C ZINC001032733439 898030953 /nfs/dbraw/zinc/03/09/53/898030953.db2.gz VZHRMNVAZSRHNF-UBHSHLNASA-N 2 2 292.383 0.283 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCCO1 ZINC001078492082 898394697 /nfs/dbraw/zinc/39/46/97/898394697.db2.gz GIYCYYNJRNTXGK-LLVKDONJSA-N 2 2 266.345 0.179 20 0 CCADLP COC[C@@H](C)[NH2+]CCN(C)C(=O)Cc1c[nH+]ccc1OC ZINC001493588617 898520463 /nfs/dbraw/zinc/52/04/63/898520463.db2.gz AAJAEBODVLQPEX-GFCCVEGCSA-N 2 2 295.383 0.716 20 0 CCADLP CC(C)C[NH2+]C[C@@H](O)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001486290900 898760005 /nfs/dbraw/zinc/76/00/05/898760005.db2.gz DWPGKVRJBJBWTP-CYBMUJFWSA-N 2 2 282.388 0.338 20 0 CCADLP C[C@@H](O)C[NH+]1CC([C@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001409986798 899040418 /nfs/dbraw/zinc/04/04/18/899040418.db2.gz SRTKRCZVQKHMJJ-NEPJUHHUSA-N 2 2 294.399 0.170 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001410030397 899192177 /nfs/dbraw/zinc/19/21/77/899192177.db2.gz XMAXLVIXNWWOJS-AAEUAGOBSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001410030397 899192188 /nfs/dbraw/zinc/19/21/88/899192188.db2.gz XMAXLVIXNWWOJS-AAEUAGOBSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001410030397 899192199 /nfs/dbraw/zinc/19/21/99/899192199.db2.gz XMAXLVIXNWWOJS-AAEUAGOBSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001410030397 899192211 /nfs/dbraw/zinc/19/22/11/899192211.db2.gz XMAXLVIXNWWOJS-AAEUAGOBSA-N 2 2 294.399 0.550 20 0 CCADLP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cnon2)C[C@H]1C ZINC001410883896 899615532 /nfs/dbraw/zinc/61/55/32/899615532.db2.gz OGRGQWGAQDLBHS-NEPJUHHUSA-N 2 2 295.387 0.490 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cnon2)C[C@H]1C ZINC001410883896 899615539 /nfs/dbraw/zinc/61/55/39/899615539.db2.gz OGRGQWGAQDLBHS-NEPJUHHUSA-N 2 2 295.387 0.490 20 0 CCADLP COC[C@@H](C)[N@H+](C)CCCNC(=O)Cn1cc[nH+]c1 ZINC001490286617 900591808 /nfs/dbraw/zinc/59/18/08/900591808.db2.gz QQAUALUGKTYLQW-GFCCVEGCSA-N 2 2 268.361 0.356 20 0 CCADLP COC[C@@H](C)[N@@H+](C)CCCNC(=O)Cn1cc[nH+]c1 ZINC001490286617 900591823 /nfs/dbraw/zinc/59/18/23/900591823.db2.gz QQAUALUGKTYLQW-GFCCVEGCSA-N 2 2 268.361 0.356 20 0 CCADLP Cn1cncc1C[N@H+](C)CCCNC(=O)Cn1cc[nH+]c1 ZINC001490286852 900592140 /nfs/dbraw/zinc/59/21/40/900592140.db2.gz YTIHJUZFWKWDOC-UHFFFAOYSA-N 2 2 290.371 0.255 20 0 CCADLP Cn1cncc1C[N@@H+](C)CCCNC(=O)Cn1cc[nH+]c1 ZINC001490286852 900592149 /nfs/dbraw/zinc/59/21/49/900592149.db2.gz YTIHJUZFWKWDOC-UHFFFAOYSA-N 2 2 290.371 0.255 20 0 CCADLP Cc1cc(C[NH2+]C/C=C/CNC(=O)Cn2cc[nH+]c2)on1 ZINC001274632216 900936929 /nfs/dbraw/zinc/93/69/29/900936929.db2.gz PPTJAUPRPNIHPC-NSCUHMNNSA-N 2 2 289.339 0.642 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H](C)n2cc[nH+]c2)CC1 ZINC001411923615 901331762 /nfs/dbraw/zinc/33/17/62/901331762.db2.gz AXQMKLJFSRHPPI-OLZOCXBDSA-N 2 2 280.372 0.359 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)CCCC[NH+](C)C)CO2 ZINC001327412337 914529450 /nfs/dbraw/zinc/52/94/50/914529450.db2.gz LATFRDCFZYEUKZ-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001412378680 901674259 /nfs/dbraw/zinc/67/42/59/901674259.db2.gz ZCUZAMHZIUIODO-JHJVBQTASA-N 2 2 294.399 0.690 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]C[C@@H]1CCOC1 ZINC001495784207 902189898 /nfs/dbraw/zinc/18/98/98/902189898.db2.gz HGUUXPAGXAZKFC-STQMWFEESA-N 2 2 294.399 0.341 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001398309796 914615836 /nfs/dbraw/zinc/61/58/36/914615836.db2.gz BKTSZKFIENJQRW-CHWSQXEVSA-N 2 2 294.399 0.578 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001398309796 914615849 /nfs/dbraw/zinc/61/58/49/914615849.db2.gz BKTSZKFIENJQRW-CHWSQXEVSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@@H]1CN(CCC[NH+]2CCOCC2)[C@@H](C)C[N@@H+]1CCO ZINC001413015204 902481994 /nfs/dbraw/zinc/48/19/94/902481994.db2.gz UPFKXKZIHKZLLQ-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H]1CN(CCC[NH+]2CCOCC2)[C@@H](C)C[N@H+]1CCO ZINC001413015204 902481997 /nfs/dbraw/zinc/48/19/97/902481997.db2.gz UPFKXKZIHKZLLQ-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)o1 ZINC001413155142 902748308 /nfs/dbraw/zinc/74/83/08/902748308.db2.gz ISRAJAJHCUEFBH-QMMMGPOBSA-N 2 2 296.352 0.297 20 0 CCADLP O=C(CC[N@H+]1CC[C@@H](F)C1)NCCc1[nH]cc[nH+]1 ZINC001465205427 903184754 /nfs/dbraw/zinc/18/47/54/903184754.db2.gz YSWZYPMSKPPWIC-SNVBAGLBSA-N 2 2 254.309 0.502 20 0 CCADLP O=C(CC[N@@H+]1CC[C@@H](F)C1)NCCc1[nH]cc[nH+]1 ZINC001465205427 903184760 /nfs/dbraw/zinc/18/47/60/903184760.db2.gz YSWZYPMSKPPWIC-SNVBAGLBSA-N 2 2 254.309 0.502 20 0 CCADLP CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001150426472 903760310 /nfs/dbraw/zinc/76/03/10/903760310.db2.gz VFMONONQZNCKCA-OCCSQVGLSA-N 2 2 294.399 0.815 20 0 CCADLP CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001150426472 903760318 /nfs/dbraw/zinc/76/03/18/903760318.db2.gz VFMONONQZNCKCA-OCCSQVGLSA-N 2 2 294.399 0.815 20 0 CCADLP CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001150426472 903760325 /nfs/dbraw/zinc/76/03/25/903760325.db2.gz VFMONONQZNCKCA-OCCSQVGLSA-N 2 2 294.399 0.815 20 0 CCADLP CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001150426472 903760334 /nfs/dbraw/zinc/76/03/34/903760334.db2.gz VFMONONQZNCKCA-OCCSQVGLSA-N 2 2 294.399 0.815 20 0 CCADLP Cc1c([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cnn1C ZINC000305841581 903851458 /nfs/dbraw/zinc/85/14/58/903851458.db2.gz RGQJJEBZJZNHQW-DGCLKSJQSA-N 2 2 266.389 0.836 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001282523638 904501604 /nfs/dbraw/zinc/50/16/04/904501604.db2.gz QQNHHGRROIUGTG-LBPRGKRZSA-N 2 2 269.389 0.044 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001282523638 904501617 /nfs/dbraw/zinc/50/16/17/904501617.db2.gz QQNHHGRROIUGTG-LBPRGKRZSA-N 2 2 269.389 0.044 20 0 CCADLP CC1([NH2+]CCO)CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001377316360 904782230 /nfs/dbraw/zinc/78/22/30/904782230.db2.gz OIKSSNNYISZWLB-UHFFFAOYSA-N 2 2 294.399 0.626 20 0 CCADLP CC[N@H+](CCCF)CCNC(=O)Cc1c[nH+]cn1C ZINC001377360825 904800393 /nfs/dbraw/zinc/80/03/93/904800393.db2.gz NIAXEWNWBYZXBA-UHFFFAOYSA-N 2 2 270.352 0.760 20 0 CCADLP CC[N@@H+](CCCF)CCNC(=O)Cc1c[nH+]cn1C ZINC001377360825 904800411 /nfs/dbraw/zinc/80/04/11/904800411.db2.gz NIAXEWNWBYZXBA-UHFFFAOYSA-N 2 2 270.352 0.760 20 0 CCADLP CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[C@H](C)O ZINC001377488496 904937567 /nfs/dbraw/zinc/93/75/67/904937567.db2.gz JTRGCQNVJAYCCX-YNEHKIRRSA-N 2 2 294.399 0.722 20 0 CCADLP CCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[C@H](C)O ZINC001377488496 904937580 /nfs/dbraw/zinc/93/75/80/904937580.db2.gz JTRGCQNVJAYCCX-YNEHKIRRSA-N 2 2 294.399 0.722 20 0 CCADLP CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[C@H](C)O ZINC001377488496 904937590 /nfs/dbraw/zinc/93/75/90/904937590.db2.gz JTRGCQNVJAYCCX-YNEHKIRRSA-N 2 2 294.399 0.722 20 0 CCADLP CCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[C@H](C)O ZINC001377488496 904937603 /nfs/dbraw/zinc/93/76/03/904937603.db2.gz JTRGCQNVJAYCCX-YNEHKIRRSA-N 2 2 294.399 0.722 20 0 CCADLP C[C@@H]1C[C@H](C)N(C(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC001336963226 921129683 /nfs/dbraw/zinc/12/96/83/921129683.db2.gz KFXDCQGOJJHPFG-NEPJUHHUSA-N 2 2 268.405 0.849 20 0 CCADLP CC(C)CC[NH+]1CC(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001377932977 905254022 /nfs/dbraw/zinc/25/40/22/905254022.db2.gz DEWKWGXUOIPMSV-AWEZNQCLSA-N 2 2 297.443 0.801 20 0 CCADLP CCn1ccc(C[N@@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)n1 ZINC001378116546 905430798 /nfs/dbraw/zinc/43/07/98/905430798.db2.gz SUZGZWIFFZTAPP-CYBMUJFWSA-N 2 2 293.415 0.545 20 0 CCADLP CCn1ccc(C[N@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)n1 ZINC001378116546 905430809 /nfs/dbraw/zinc/43/08/09/905430809.db2.gz SUZGZWIFFZTAPP-CYBMUJFWSA-N 2 2 293.415 0.545 20 0 CCADLP CC[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CCF ZINC001378267767 905553296 /nfs/dbraw/zinc/55/32/96/905553296.db2.gz LTBIVBXVALIQBG-VXGBXAGGSA-N 2 2 282.363 0.899 20 0 CCADLP C[C@@H]([NH2+]CCF)[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001378774899 905814393 /nfs/dbraw/zinc/81/43/93/905814393.db2.gz VFFFRTNCRSYGML-OLZOCXBDSA-N 2 2 298.362 0.448 20 0 CCADLP C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1csnn1 ZINC001379194867 906052524 /nfs/dbraw/zinc/05/25/24/906052524.db2.gz GKNBEDVZOPODRQ-ZYHUDNBSSA-N 2 2 297.428 0.569 20 0 CCADLP C[C@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1csnn1 ZINC001379194867 906052537 /nfs/dbraw/zinc/05/25/37/906052537.db2.gz GKNBEDVZOPODRQ-ZYHUDNBSSA-N 2 2 297.428 0.569 20 0 CCADLP Cc1cnc(C[NH2+]C[C@@H](C)NC(=O)Cn2c[nH+]cc2C)o1 ZINC001379388249 906206801 /nfs/dbraw/zinc/20/68/01/906206801.db2.gz PUZCFODJTIHVQU-SNVBAGLBSA-N 2 2 291.355 0.782 20 0 CCADLP CC(C)C[NH2+]C[C@@H](O)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001379879564 906515960 /nfs/dbraw/zinc/51/59/60/906515960.db2.gz RNVNGXHIVRVQFL-CQSZACIVSA-N 2 2 296.415 0.418 20 0 CCADLP CC[N@H+](C)C[C@H](O)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001379928977 906541359 /nfs/dbraw/zinc/54/13/59/906541359.db2.gz HTFWPNANCXNNSB-LBPRGKRZSA-N 2 2 290.367 0.948 20 0 CCADLP CC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001379928977 906541365 /nfs/dbraw/zinc/54/13/65/906541365.db2.gz HTFWPNANCXNNSB-LBPRGKRZSA-N 2 2 290.367 0.948 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001380030421 906599908 /nfs/dbraw/zinc/59/99/08/906599908.db2.gz LPTJCZYOSJRJQN-JSGCOSHPSA-N 2 2 294.399 0.578 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001380030421 906599916 /nfs/dbraw/zinc/59/99/16/906599916.db2.gz LPTJCZYOSJRJQN-JSGCOSHPSA-N 2 2 294.399 0.578 20 0 CCADLP Cc1nnc(C[NH2+]C2(CNC(=O)CCC[NH+](C)C)CC2)[nH]1 ZINC001380133659 906648874 /nfs/dbraw/zinc/64/88/74/906648874.db2.gz NKBARCXJZZPAAU-UHFFFAOYSA-N 2 2 294.403 0.193 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)N(C)C1C[NH+](C[C@@H](C)O)C1 ZINC001380240528 906688229 /nfs/dbraw/zinc/68/82/29/906688229.db2.gz FSYDWCWCLQYJGA-GFCCVEGCSA-N 2 2 294.399 0.495 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)NCC1(O)C[NH+](CC2CC2)C1 ZINC001380612795 906855959 /nfs/dbraw/zinc/85/59/59/906855959.db2.gz HEYYFKHKYIERDX-ZDUSSCGKSA-N 2 2 281.400 0.044 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)NCC1(O)C[NH+](CC2CC2)C1 ZINC001380612795 906855980 /nfs/dbraw/zinc/85/59/80/906855980.db2.gz HEYYFKHKYIERDX-ZDUSSCGKSA-N 2 2 281.400 0.044 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCCc2c[nH+]cn2C)CC[N@@H+]1C ZINC001296307277 906899342 /nfs/dbraw/zinc/89/93/42/906899342.db2.gz DTKSGMVXNFMDQT-RYUDHWBXSA-N 2 2 264.373 0.809 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCCc2c[nH+]cn2C)CC[N@H+]1C ZINC001296307277 906899352 /nfs/dbraw/zinc/89/93/52/906899352.db2.gz DTKSGMVXNFMDQT-RYUDHWBXSA-N 2 2 264.373 0.809 20 0 CCADLP C[C@@H](CNc1cc(N)[nH+]cn1)N1CC[NH+](C)CC1 ZINC001337768688 921292076 /nfs/dbraw/zinc/29/20/76/921292076.db2.gz KNDYHCPABRVNHT-JTQLQIEISA-N 2 2 250.350 0.107 20 0 CCADLP CO[C@@H](C)C[N@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001381990217 907487271 /nfs/dbraw/zinc/48/72/71/907487271.db2.gz VTELMBWZTLVKEH-ZDUSSCGKSA-N 2 2 294.399 0.841 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001381990217 907487281 /nfs/dbraw/zinc/48/72/81/907487281.db2.gz VTELMBWZTLVKEH-ZDUSSCGKSA-N 2 2 294.399 0.841 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]CCOC(C)C)C1 ZINC001491767407 907554573 /nfs/dbraw/zinc/55/45/73/907554573.db2.gz APJZIZAOJQFLQZ-ZDUSSCGKSA-N 2 2 294.399 0.876 20 0 CCADLP CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001492047469 907681533 /nfs/dbraw/zinc/68/15/33/907681533.db2.gz RECRALAULGRRHR-VXGBXAGGSA-N 2 2 264.373 0.950 20 0 CCADLP C[C@H](Nc1cc(N)[nH+]cn1)[C@@H]1C[N@H+](C)CCN1C ZINC001338083920 921365657 /nfs/dbraw/zinc/36/56/57/921365657.db2.gz LMGGRYVERHAGJT-UWVGGRQHSA-N 2 2 250.350 0.105 20 0 CCADLP C[C@H](Nc1cc(N)[nH+]cn1)[C@@H]1C[N@@H+](C)CCN1C ZINC001338083920 921365670 /nfs/dbraw/zinc/36/56/70/921365670.db2.gz LMGGRYVERHAGJT-UWVGGRQHSA-N 2 2 250.350 0.105 20 0 CCADLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@H](O)C2(O)CCCC2)C1 ZINC001336800285 907995780 /nfs/dbraw/zinc/99/57/80/907995780.db2.gz FBLPRWNNLUPNPT-OLZOCXBDSA-N 2 2 256.390 0.584 20 0 CCADLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@H](O)C2(O)CCCC2)C1 ZINC001336800285 907995791 /nfs/dbraw/zinc/99/57/91/907995791.db2.gz FBLPRWNNLUPNPT-OLZOCXBDSA-N 2 2 256.390 0.584 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N[C@@H]1C[NH+](CC)CC1(C)C ZINC001304043674 908136688 /nfs/dbraw/zinc/13/66/88/908136688.db2.gz YKBVWKRTPHNNRI-VXGBXAGGSA-N 2 2 253.390 0.927 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N[C@@H]1C[NH+](CC)CC1(C)C ZINC001304043674 908136693 /nfs/dbraw/zinc/13/66/93/908136693.db2.gz YKBVWKRTPHNNRI-VXGBXAGGSA-N 2 2 253.390 0.927 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC)CC1(C)C ZINC001304043674 908136700 /nfs/dbraw/zinc/13/67/00/908136700.db2.gz YKBVWKRTPHNNRI-VXGBXAGGSA-N 2 2 253.390 0.927 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC)CC1(C)C ZINC001304043674 908136705 /nfs/dbraw/zinc/13/67/05/908136705.db2.gz YKBVWKRTPHNNRI-VXGBXAGGSA-N 2 2 253.390 0.927 20 0 CCADLP CNC(=O)N[C@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC001308074812 908372804 /nfs/dbraw/zinc/37/28/04/908372804.db2.gz DVOMGHIWKYRHKF-LBPRGKRZSA-N 2 2 265.361 0.667 20 0 CCADLP CNC(=O)N[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC001308074812 908372813 /nfs/dbraw/zinc/37/28/13/908372813.db2.gz DVOMGHIWKYRHKF-LBPRGKRZSA-N 2 2 265.361 0.667 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1nccs1 ZINC001308248576 908401376 /nfs/dbraw/zinc/40/13/76/908401376.db2.gz HIJRNEWCZASMLE-LLVKDONJSA-N 2 2 254.403 0.869 20 0 CCADLP Cc1ncc(C[NH2+]CCN(C)C(=O)Cc2c[nH+]cn2C)o1 ZINC001317653340 909448492 /nfs/dbraw/zinc/44/84/92/909448492.db2.gz FFQBMGMWOMKKPC-UHFFFAOYSA-N 2 2 291.355 0.507 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N(C)CC[NH2+]Cc1nccs1 ZINC001317660657 909455738 /nfs/dbraw/zinc/45/57/38/909455738.db2.gz GFDZXMQFMVPCSF-UHFFFAOYSA-N 2 2 293.396 0.896 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]CCC(=O)NC(N)=O)C1 ZINC001338523050 921499733 /nfs/dbraw/zinc/49/97/33/921499733.db2.gz ZKRQUHAPXOONIR-VIFPVBQESA-N 2 2 256.350 0.034 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]CCC(=O)NC(N)=O)C1 ZINC001338523050 921499739 /nfs/dbraw/zinc/49/97/39/921499739.db2.gz ZKRQUHAPXOONIR-VIFPVBQESA-N 2 2 256.350 0.034 20 0 CCADLP COCCCC[NH+]1CC(NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001318060111 909604240 /nfs/dbraw/zinc/60/42/40/909604240.db2.gz CKGMLLRWAWPDMN-CQSZACIVSA-N 2 2 285.432 0.800 20 0 CCADLP CC[N@@H+]1CCCN(C(=O)[C@@H](C)n2cc[nH+]c2)CC1 ZINC001318380023 909725845 /nfs/dbraw/zinc/72/58/45/909725845.db2.gz PVAMVBSPGCTDCF-GFCCVEGCSA-N 2 2 250.346 0.998 20 0 CCADLP CC[N@H+]1CCCN(C(=O)[C@@H](C)n2cc[nH+]c2)CC1 ZINC001318380023 909725859 /nfs/dbraw/zinc/72/58/59/909725859.db2.gz PVAMVBSPGCTDCF-GFCCVEGCSA-N 2 2 250.346 0.998 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C[NH2+]C(C)(C)C ZINC001338605046 921523447 /nfs/dbraw/zinc/52/34/47/921523447.db2.gz HUQZAXKGYBVPRF-NSHDSACASA-N 2 2 257.378 0.211 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C[NH2+]C(C)(C)C ZINC001338605046 921523459 /nfs/dbraw/zinc/52/34/59/921523459.db2.gz HUQZAXKGYBVPRF-NSHDSACASA-N 2 2 257.378 0.211 20 0 CCADLP C[C@@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)C[NH2+]CCO ZINC001319190601 910026216 /nfs/dbraw/zinc/02/62/16/910026216.db2.gz WKNPVJIDAYKSBA-GFCCVEGCSA-N 2 2 294.399 0.096 20 0 CCADLP C[C@H](CC[NH+]1CCN(C)CC1)N1CC[NH+](C)CC1 ZINC001319392836 910131275 /nfs/dbraw/zinc/13/12/75/910131275.db2.gz FQJCZDRMUUDPDG-CQSZACIVSA-N 2 2 254.422 0.260 20 0 CCADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCC[N@H+](CCCO)C1 ZINC001390194887 910268047 /nfs/dbraw/zinc/26/80/47/910268047.db2.gz OGMPGRFTPUYKCN-CHWSQXEVSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001390194887 910268064 /nfs/dbraw/zinc/26/80/64/910268064.db2.gz OGMPGRFTPUYKCN-CHWSQXEVSA-N 2 2 294.399 0.551 20 0 CCADLP COCC[NH2+][C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001319956846 910373224 /nfs/dbraw/zinc/37/32/24/910373224.db2.gz SWFUEPZPZLPHLP-NSHDSACASA-N 2 2 268.361 0.329 20 0 CCADLP CN(C[C@H]1CC[N@@H+]1CCCO)C(=O)CCc1[nH+]ccn1C ZINC001417735767 921585420 /nfs/dbraw/zinc/58/54/20/921585420.db2.gz FWQPDNASZSNWNP-CYBMUJFWSA-N 2 2 294.399 0.268 20 0 CCADLP CN(C[C@H]1CC[N@H+]1CCCO)C(=O)CCc1[nH+]ccn1C ZINC001417735767 921585433 /nfs/dbraw/zinc/58/54/33/921585433.db2.gz FWQPDNASZSNWNP-CYBMUJFWSA-N 2 2 294.399 0.268 20 0 CCADLP C[C@H](CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCO)C1)n1cc[nH+]c1 ZINC001417818304 921628378 /nfs/dbraw/zinc/62/83/78/921628378.db2.gz WIGHDGOMJZBQFP-HZSPNIEDSA-N 2 2 294.399 0.701 20 0 CCADLP CC[C@@H](C(=O)NCC1C[NH+](Cc2conc2C)C1)[NH+](C)C ZINC001391509222 911185422 /nfs/dbraw/zinc/18/54/22/911185422.db2.gz YSFMQHSMRDTBFR-AWEZNQCLSA-N 2 2 294.399 0.871 20 0 CCADLP C[C@@H](O)C[NH+]1CC(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001391514737 911190385 /nfs/dbraw/zinc/19/03/85/911190385.db2.gz FQYMYAIGBXSRGE-GFCCVEGCSA-N 2 2 280.372 0.092 20 0 CCADLP CCN(C(=O)Cc1[nH]c[nH+]c1C)[C@H]1CC[N@H+](CCOC)C1 ZINC001391649330 911291457 /nfs/dbraw/zinc/29/14/57/911291457.db2.gz MJIRSJAGIWAYAN-ZDUSSCGKSA-N 2 2 294.399 0.830 20 0 CCADLP CCN(C(=O)Cc1[nH]c[nH+]c1C)[C@H]1CC[N@@H+](CCOC)C1 ZINC001391649330 911291467 /nfs/dbraw/zinc/29/14/67/911291467.db2.gz MJIRSJAGIWAYAN-ZDUSSCGKSA-N 2 2 294.399 0.830 20 0 CCADLP CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001321560239 911370688 /nfs/dbraw/zinc/37/06/88/911370688.db2.gz PFXPGWQXXLEVOS-MNOVXSKESA-N 2 2 250.346 0.560 20 0 CCADLP C[C@H](C[NH2+]CCF)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001321660640 911428498 /nfs/dbraw/zinc/42/84/98/911428498.db2.gz DUDJKMBNCPZQEK-GHMZBOCLSA-N 2 2 256.325 0.898 20 0 CCADLP C[C@H](C[NH2+]CCC(F)(F)F)NC(=O)Cn1cc[nH+]c1 ZINC001321760367 911476707 /nfs/dbraw/zinc/47/67/07/911476707.db2.gz OIQJSKKHCXGIEJ-SECBINFHSA-N 2 2 278.278 0.930 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]C[C@@H]1CCCOC1 ZINC001391965869 911488680 /nfs/dbraw/zinc/48/86/80/911488680.db2.gz MBIZWASSTOYPAJ-KBPBESRZSA-N 2 2 294.399 0.652 20 0 CCADLP COC[C@H](C)[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCCC1 ZINC001392022046 911524555 /nfs/dbraw/zinc/52/45/55/911524555.db2.gz MDHRQUYVTCSLHV-ZDUSSCGKSA-N 2 2 294.399 0.937 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N(C)[C@H](C)C[NH2+]C[C@@H](C)O ZINC001392072755 911560983 /nfs/dbraw/zinc/56/09/83/911560983.db2.gz GEYNHXWFUAOAJD-VXGBXAGGSA-N 2 2 295.383 0.450 20 0 CCADLP Cc1noc(C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)C(C)C)n1 ZINC001392138672 911592511 /nfs/dbraw/zinc/59/25/11/911592511.db2.gz PDIWCRILPUGYOF-NSHDSACASA-N 2 2 297.403 0.655 20 0 CCADLP Cc1noc(C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C(C)C)n1 ZINC001392138672 911592527 /nfs/dbraw/zinc/59/25/27/911592527.db2.gz PDIWCRILPUGYOF-NSHDSACASA-N 2 2 297.403 0.655 20 0 CCADLP COC[C@H](C)[NH2+]CC[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001392434035 911802908 /nfs/dbraw/zinc/80/29/08/911802908.db2.gz GSEMQWKCXZBUPX-NEPJUHHUSA-N 2 2 282.388 0.482 20 0 CCADLP CCOC1CC(C[NH2+]C[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001392594117 911970447 /nfs/dbraw/zinc/97/04/47/911970447.db2.gz NTJCQERQSBCOFW-DCBWTQNWSA-N 2 2 294.399 0.862 20 0 CCADLP CC[C@H](C[N@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1)OC ZINC001392722342 912114327 /nfs/dbraw/zinc/11/43/27/912114327.db2.gz GABRQOVBTNHLKR-QWHCGFSZSA-N 2 2 282.388 0.745 20 0 CCADLP CC[C@H](C[N@@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1)OC ZINC001392722342 912114339 /nfs/dbraw/zinc/11/43/39/912114339.db2.gz GABRQOVBTNHLKR-QWHCGFSZSA-N 2 2 282.388 0.745 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001392848100 912195228 /nfs/dbraw/zinc/19/52/28/912195228.db2.gz OQINMGVIHOAPSU-QWHCGFSZSA-N 2 2 294.399 0.578 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001392848100 912195234 /nfs/dbraw/zinc/19/52/34/912195234.db2.gz OQINMGVIHOAPSU-QWHCGFSZSA-N 2 2 294.399 0.578 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[C@@H]1CC[N@H+](CCO)C1 ZINC001400179682 915608857 /nfs/dbraw/zinc/60/88/57/915608857.db2.gz AGHAMGORGGPDSH-CYBMUJFWSA-N 2 2 294.399 0.173 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[C@@H]1CC[N@@H+](CCO)C1 ZINC001400179682 915608873 /nfs/dbraw/zinc/60/88/73/915608873.db2.gz AGHAMGORGGPDSH-CYBMUJFWSA-N 2 2 294.399 0.173 20 0 CCADLP COCC[N@@H+]1CC[C@@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001400196806 915613041 /nfs/dbraw/zinc/61/30/41/915613041.db2.gz XBHBTEHNBCEXJR-CYBMUJFWSA-N 2 2 294.399 0.437 20 0 CCADLP COCC[N@H+]1CC[C@@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001400196806 915613056 /nfs/dbraw/zinc/61/30/56/915613056.db2.gz XBHBTEHNBCEXJR-CYBMUJFWSA-N 2 2 294.399 0.437 20 0 CCADLP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](CCOC)C1 ZINC001400755598 915908395 /nfs/dbraw/zinc/90/83/95/915908395.db2.gz ARVDYBVJRBTCPU-ZDUSSCGKSA-N 2 2 280.372 0.521 20 0 CCADLP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CCOC)C1 ZINC001400755598 915908407 /nfs/dbraw/zinc/90/84/07/915908407.db2.gz ARVDYBVJRBTCPU-ZDUSSCGKSA-N 2 2 280.372 0.521 20 0 CCADLP CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CCF ZINC001400867049 915973641 /nfs/dbraw/zinc/97/36/41/915973641.db2.gz UZAFBOIXLOLSPT-IJLUTSLNSA-N 2 2 282.363 0.978 20 0 CCADLP CC[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]C[C@@H](C)OC ZINC001400919884 915986070 /nfs/dbraw/zinc/98/60/70/915986070.db2.gz XWLDLTFJHBUQJN-VXGBXAGGSA-N 2 2 282.388 0.482 20 0 CCADLP CC(C)[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]C[C@@H](C)O ZINC001401387350 916234404 /nfs/dbraw/zinc/23/44/04/916234404.db2.gz RKQIHKMQAFVVIX-YPMHNXCESA-N 2 2 282.388 0.074 20 0 CCADLP O[C@@H](C[NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccn1 ZINC001329977858 916331330 /nfs/dbraw/zinc/33/13/30/916331330.db2.gz YFSLSGGLHYMIMG-AAEUAGOBSA-N 2 2 258.325 0.916 20 0 CCADLP C[C@H](C[N@H+](C)CCO)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001401751254 916561447 /nfs/dbraw/zinc/56/14/47/916561447.db2.gz MITKURBWYFIYFX-GFCCVEGCSA-N 2 2 294.399 0.191 20 0 CCADLP C[C@H](C[N@@H+](C)CCO)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001401751254 916561458 /nfs/dbraw/zinc/56/14/58/916561458.db2.gz MITKURBWYFIYFX-GFCCVEGCSA-N 2 2 294.399 0.191 20 0 CCADLP CN1C[C@H](C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)OC1=O ZINC001330568051 916706636 /nfs/dbraw/zinc/70/66/36/916706636.db2.gz RKHJGHARRYITCI-OCCSQVGLSA-N 2 2 267.373 0.855 20 0 CCADLP CN1C[C@H](C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)OC1=O ZINC001330568051 916706640 /nfs/dbraw/zinc/70/66/40/916706640.db2.gz RKHJGHARRYITCI-OCCSQVGLSA-N 2 2 267.373 0.855 20 0 CCADLP CN1C[C@H](C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)OC1=O ZINC001330568051 916706645 /nfs/dbraw/zinc/70/66/45/916706645.db2.gz RKHJGHARRYITCI-OCCSQVGLSA-N 2 2 267.373 0.855 20 0 CCADLP CN1C[C@H](C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)OC1=O ZINC001330568051 916706648 /nfs/dbraw/zinc/70/66/48/916706648.db2.gz RKHJGHARRYITCI-OCCSQVGLSA-N 2 2 267.373 0.855 20 0 CCADLP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001330744586 916831695 /nfs/dbraw/zinc/83/16/95/916831695.db2.gz FWSBEWRINQRKMU-NWDGAFQWSA-N 2 2 262.357 0.513 20 0 CCADLP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001330744586 916831702 /nfs/dbraw/zinc/83/17/02/916831702.db2.gz FWSBEWRINQRKMU-NWDGAFQWSA-N 2 2 262.357 0.513 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001402171503 916845241 /nfs/dbraw/zinc/84/52/41/916845241.db2.gz CPRBBDRFDLTMSJ-IUODEOHRSA-N 2 2 294.399 0.815 20 0 CCADLP CC1(CNC(=O)Cc2c[nH]c[nH+]2)CC[NH+](CCCO)CC1 ZINC001402210610 916872670 /nfs/dbraw/zinc/87/26/70/916872670.db2.gz XQIZPDGAPZTUTF-UHFFFAOYSA-N 2 2 294.399 0.553 20 0 CCADLP Cc1cc(C)c(CNC(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)c[nH+]1 ZINC001331103203 917090818 /nfs/dbraw/zinc/09/08/18/917090818.db2.gz DYTFRMWFFFVZSI-YPMHNXCESA-N 2 2 290.367 0.263 20 0 CCADLP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1ccn(C)n1 ZINC001403032345 917433932 /nfs/dbraw/zinc/43/39/32/917433932.db2.gz GXLVUTDANQFHBI-RYUDHWBXSA-N 2 2 290.371 0.300 20 0 CCADLP Cc1nc(C[NH2+][C@H](C)CNC(=O)Cn2cc[nH+]c2C)co1 ZINC001403128567 917510989 /nfs/dbraw/zinc/51/09/89/917510989.db2.gz CCWALWYZUOPFFL-SNVBAGLBSA-N 2 2 291.355 0.782 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[N@H+](C)C[C@H]1CCOC1 ZINC001403180820 917563918 /nfs/dbraw/zinc/56/39/18/917563918.db2.gz IMCZCNFLTRYPFB-QWHCGFSZSA-N 2 2 294.399 0.436 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[N@@H+](C)C[C@H]1CCOC1 ZINC001403180820 917563924 /nfs/dbraw/zinc/56/39/24/917563924.db2.gz IMCZCNFLTRYPFB-QWHCGFSZSA-N 2 2 294.399 0.436 20 0 CCADLP C[C@H](O)C[NH2+]CC1(NC(=O)Cn2cc[nH+]c2)CCCCC1 ZINC001403257555 917616079 /nfs/dbraw/zinc/61/60/79/917616079.db2.gz BDFWCOJTUWGSIE-ZDUSSCGKSA-N 2 2 294.399 0.673 20 0 CCADLP CCOCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC001331895922 917698344 /nfs/dbraw/zinc/69/83/44/917698344.db2.gz JIMOHBRAYNMHMJ-GXTWGEPZSA-N 2 2 294.399 0.958 20 0 CCADLP CCOCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC001331895922 917698354 /nfs/dbraw/zinc/69/83/54/917698354.db2.gz JIMOHBRAYNMHMJ-GXTWGEPZSA-N 2 2 294.399 0.958 20 0 CCADLP CCOCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001332034165 917813834 /nfs/dbraw/zinc/81/38/34/917813834.db2.gz ZUFDWJSBWMQTHF-CHWSQXEVSA-N 2 2 294.399 0.958 20 0 CCADLP CC(C)N(CC[N@@H+](C)C[C@H](C)O)C(=O)CCc1c[nH]c[nH+]1 ZINC001403931727 918134578 /nfs/dbraw/zinc/13/45/78/918134578.db2.gz COVCCAHYIBVURB-ZDUSSCGKSA-N 2 2 296.415 0.892 20 0 CCADLP CC(C)N(CC[N@H+](C)C[C@H](C)O)C(=O)CCc1c[nH]c[nH+]1 ZINC001403931727 918134589 /nfs/dbraw/zinc/13/45/89/918134589.db2.gz COVCCAHYIBVURB-ZDUSSCGKSA-N 2 2 296.415 0.892 20 0 CCADLP CC(C)N(CC[N@@H+](C)C[C@H](C)O)C(=O)CCc1c[nH+]c[nH]1 ZINC001403931727 918134605 /nfs/dbraw/zinc/13/46/05/918134605.db2.gz COVCCAHYIBVURB-ZDUSSCGKSA-N 2 2 296.415 0.892 20 0 CCADLP CC(C)N(CC[N@H+](C)C[C@H](C)O)C(=O)CCc1c[nH+]c[nH]1 ZINC001403931727 918134615 /nfs/dbraw/zinc/13/46/15/918134615.db2.gz COVCCAHYIBVURB-ZDUSSCGKSA-N 2 2 296.415 0.892 20 0 CCADLP COC[C@H](C)[NH2+]CCN(C)C(=O)CCc1[nH+]ccn1C ZINC001404332099 918312292 /nfs/dbraw/zinc/31/22/92/918312292.db2.gz ZNQOCEKKWWUJKB-LBPRGKRZSA-N 2 2 282.388 0.436 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC001332725490 918403974 /nfs/dbraw/zinc/40/39/74/918403974.db2.gz UJAAPVRTLSAGBY-NSHDSACASA-N 2 2 250.346 0.872 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC001332725490 918403986 /nfs/dbraw/zinc/40/39/86/918403986.db2.gz UJAAPVRTLSAGBY-NSHDSACASA-N 2 2 250.346 0.872 20 0 CCADLP COCC[N@@H+]1CC[C@@H](N(C)C(=O)CCCn2cc[nH+]c2)C1 ZINC001405147958 918621822 /nfs/dbraw/zinc/62/18/22/918621822.db2.gz QIPLGYYSGDFMAY-CQSZACIVSA-N 2 2 294.399 0.842 20 0 CCADLP COCC[N@H+]1CC[C@@H](N(C)C(=O)CCCn2cc[nH+]c2)C1 ZINC001405147958 918621830 /nfs/dbraw/zinc/62/18/30/918621830.db2.gz QIPLGYYSGDFMAY-CQSZACIVSA-N 2 2 294.399 0.842 20 0 CCADLP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3CCN(C4CC4)C3=O)CC[C@H]21 ZINC001333052804 918622239 /nfs/dbraw/zinc/62/22/39/918622239.db2.gz DVZAKVZNTMBMCQ-MRVWCRGKSA-N 2 2 263.385 0.776 20 0 CCADLP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCN(C4CC4)C3=O)CC[C@H]21 ZINC001333052804 918622254 /nfs/dbraw/zinc/62/22/54/918622254.db2.gz DVZAKVZNTMBMCQ-MRVWCRGKSA-N 2 2 263.385 0.776 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCN(C4CC4)C3=O)CC[C@H]21 ZINC001333052804 918622267 /nfs/dbraw/zinc/62/22/67/918622267.db2.gz DVZAKVZNTMBMCQ-MRVWCRGKSA-N 2 2 263.385 0.776 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCN(C4CC4)C3=O)CC[C@H]21 ZINC001333052804 918622278 /nfs/dbraw/zinc/62/22/78/918622278.db2.gz DVZAKVZNTMBMCQ-MRVWCRGKSA-N 2 2 263.385 0.776 20 0 CCADLP Cc1nocc1C[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001405868512 918950301 /nfs/dbraw/zinc/95/03/01/918950301.db2.gz GYVUDEIPKRAWAR-JTQLQIEISA-N 2 2 291.355 0.885 20 0 CCADLP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccnn1C ZINC001333767891 919149898 /nfs/dbraw/zinc/14/98/98/919149898.db2.gz XXJFHZOIVGCUIL-MRVPVSSYSA-N 2 2 262.317 0.225 20 0 CCADLP Cc1nonc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001406387203 919232460 /nfs/dbraw/zinc/23/24/60/919232460.db2.gz YEJBRDJMDIFKDJ-ZWNOBZJWSA-N 2 2 295.387 0.457 20 0 CCADLP Cc1nonc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001406387203 919232476 /nfs/dbraw/zinc/23/24/76/919232476.db2.gz YEJBRDJMDIFKDJ-ZWNOBZJWSA-N 2 2 295.387 0.457 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+]Cc1csnn1 ZINC001406434249 919261201 /nfs/dbraw/zinc/26/12/01/919261201.db2.gz PQBZRFDXDFNKRB-SECBINFHSA-N 2 2 294.384 0.338 20 0 CCADLP C[C@@H](C[NH2+]Cc1ccns1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001406539485 919332615 /nfs/dbraw/zinc/33/26/15/919332615.db2.gz VREPEODBARHFNX-VIFPVBQESA-N 2 2 279.369 0.703 20 0 CCADLP Cc1cc(C[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C)nn1C ZINC001406656240 919417549 /nfs/dbraw/zinc/41/75/49/919417549.db2.gz RSYIQQAOAFVNBU-GFCCVEGCSA-N 2 2 295.431 0.617 20 0 CCADLP Cc1cc(C[N@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C)nn1C ZINC001406656240 919417555 /nfs/dbraw/zinc/41/75/55/919417555.db2.gz RSYIQQAOAFVNBU-GFCCVEGCSA-N 2 2 295.431 0.617 20 0 CCADLP COCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001406667496 919423243 /nfs/dbraw/zinc/42/32/43/919423243.db2.gz QOVRAXPTRCRQOJ-YNEHKIRRSA-N 2 2 294.399 0.607 20 0 CCADLP COCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001406667496 919423251 /nfs/dbraw/zinc/42/32/51/919423251.db2.gz QOVRAXPTRCRQOJ-YNEHKIRRSA-N 2 2 294.399 0.607 20 0 CCADLP C[C@H](F)CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001406871913 919509696 /nfs/dbraw/zinc/50/96/96/919509696.db2.gz GDCLHWQWKCTRMB-NWDGAFQWSA-N 2 2 282.363 0.901 20 0 CCADLP C[C@H](F)CC[N@H+]1CC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001406871913 919509707 /nfs/dbraw/zinc/50/97/07/919509707.db2.gz GDCLHWQWKCTRMB-NWDGAFQWSA-N 2 2 282.363 0.901 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1([NH2+]CC[C@H]2CCOC2)CC1 ZINC001407001189 919569395 /nfs/dbraw/zinc/56/93/95/919569395.db2.gz UHPRTEGWZBDOIW-ZDUSSCGKSA-N 2 2 292.383 0.548 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001407731217 919866400 /nfs/dbraw/zinc/86/64/00/919866400.db2.gz IFPYNKOYNMHFDQ-CQSZACIVSA-N 2 2 294.399 0.809 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001407731217 919866422 /nfs/dbraw/zinc/86/64/22/919866422.db2.gz IFPYNKOYNMHFDQ-CQSZACIVSA-N 2 2 294.399 0.809 20 0 CCADLP O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001335991798 920551048 /nfs/dbraw/zinc/55/10/48/920551048.db2.gz WESFLMXOCNTLBD-CHWSQXEVSA-N 2 2 292.383 0.476 20 0 CCADLP O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001335991798 920551055 /nfs/dbraw/zinc/55/10/55/920551055.db2.gz WESFLMXOCNTLBD-CHWSQXEVSA-N 2 2 292.383 0.476 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCCN(C(N)=O)CC1 ZINC001336597983 920861305 /nfs/dbraw/zinc/86/13/05/920861305.db2.gz BEFOCZHIAZMWHV-UHFFFAOYSA-N 2 2 251.334 0.278 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCCN(C(N)=O)CC1 ZINC001336597983 920861317 /nfs/dbraw/zinc/86/13/17/920861317.db2.gz BEFOCZHIAZMWHV-UHFFFAOYSA-N 2 2 251.334 0.278 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC(C[NH3+])CC1 ZINC001336647641 920899797 /nfs/dbraw/zinc/89/97/97/920899797.db2.gz RMXPITJFZZJJFA-VXGBXAGGSA-N 2 2 262.357 0.721 20 0 CCADLP C[NH2+]C1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001336688135 920928953 /nfs/dbraw/zinc/92/89/53/920928953.db2.gz UYOQHIBUZMDMKE-LLVKDONJSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@H](C[NH2+]C[C@@H](O)CC(C)(C)O)Cn1cc[nH+]c1 ZINC001336738780 920969789 /nfs/dbraw/zinc/96/97/89/920969789.db2.gz FDTOYTDEYGLMNL-NEPJUHHUSA-N 2 2 255.362 0.631 20 0 CCADLP C[C@@H]([NH2+]CCC[NH+]1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001336751390 920976315 /nfs/dbraw/zinc/97/63/15/920976315.db2.gz PUSRKQDCEVBENV-OLZOCXBDSA-N 2 2 274.430 0.885 20 0 CCADLP C[C@H](NC(=O)NCC[NH+]1CCC([NH3+])CC1)C1CCC1 ZINC001336857388 921062832 /nfs/dbraw/zinc/06/28/32/921062832.db2.gz CXOJHPTVWCULKT-NSHDSACASA-N 2 2 268.405 0.897 20 0 CCADLP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC001339818900 921838285 /nfs/dbraw/zinc/83/82/85/921838285.db2.gz PWRRIGPUCLKWCJ-RYUDHWBXSA-N 2 2 250.346 0.902 20 0 CCADLP CC[N@H+]1CC[C@@H](CNC(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC001339818900 921838301 /nfs/dbraw/zinc/83/83/01/921838301.db2.gz PWRRIGPUCLKWCJ-RYUDHWBXSA-N 2 2 250.346 0.902 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC1CCOCC1 ZINC001418278310 921984159 /nfs/dbraw/zinc/98/41/59/921984159.db2.gz BFXXTIHRUCBULN-LLVKDONJSA-N 2 2 280.372 0.473 20 0 CCADLP CC[N@H+](CCNC(=O)C[C@H](C)n1cc[nH+]c1)[C@@H](C)C(N)=O ZINC001418562614 922262041 /nfs/dbraw/zinc/26/20/41/922262041.db2.gz ABBQHYTWVIRVNC-RYUDHWBXSA-N 2 2 295.387 0.146 20 0 CCADLP CC[N@@H+](CCNC(=O)C[C@H](C)n1cc[nH+]c1)[C@@H](C)C(N)=O ZINC001418562614 922262053 /nfs/dbraw/zinc/26/20/53/922262053.db2.gz ABBQHYTWVIRVNC-RYUDHWBXSA-N 2 2 295.387 0.146 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@@H+]1C[C@H](C)O ZINC001418753271 922408514 /nfs/dbraw/zinc/40/85/14/922408514.db2.gz AYZLXFUUMWVLFN-MELADBBJSA-N 2 2 294.399 0.623 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@H+]1C[C@H](C)O ZINC001418753271 922408520 /nfs/dbraw/zinc/40/85/20/922408520.db2.gz AYZLXFUUMWVLFN-MELADBBJSA-N 2 2 294.399 0.623 20 0 CCADLP CC(=O)N1CC[C@@H](C[N@H+](C)CCn2cc[nH+]c2)C1 ZINC001341425151 922480843 /nfs/dbraw/zinc/48/08/43/922480843.db2.gz PADNXVSAFNMJRY-ZDUSSCGKSA-N 2 2 250.346 0.683 20 0 CCADLP CC(=O)N1CC[C@@H](C[N@@H+](C)CCn2cc[nH+]c2)C1 ZINC001341425151 922480854 /nfs/dbraw/zinc/48/08/54/922480854.db2.gz PADNXVSAFNMJRY-ZDUSSCGKSA-N 2 2 250.346 0.683 20 0 CCADLP CC1(C)[C@@H]2[NH2+]CCC[C@@H]2[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001341591511 922571473 /nfs/dbraw/zinc/57/14/73/922571473.db2.gz DANDIQPOHDFXDX-BIMULSAOSA-N 2 2 262.357 0.845 20 0 CCADLP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cc2c[nH+]ccc2[nH]1 ZINC001341674364 922620861 /nfs/dbraw/zinc/62/08/61/922620861.db2.gz MSPQAOZKDGOUIY-UWVGGRQHSA-N 2 2 262.288 0.993 20 0 CCADLP C[C@@H](CCC[NH3+])NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001341687749 922626925 /nfs/dbraw/zinc/62/69/25/922626925.db2.gz YPCMBKBNIUEAGA-HBNTYKKESA-N 2 2 250.346 0.767 20 0 CCADLP CC[C@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)[NH2+]CCO ZINC001419191198 922703061 /nfs/dbraw/zinc/70/30/61/922703061.db2.gz HTPPHQGGHQPWRD-GFCCVEGCSA-N 2 2 294.399 0.239 20 0 CCADLP C[NH2+]C[C@H](O)[C@@H](C)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001342125563 922816977 /nfs/dbraw/zinc/81/69/77/922816977.db2.gz PZIZGNMAPVRFFK-KOLCDFICSA-N 2 2 262.313 0.489 20 0 CCADLP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CC[N@@H+]2CC[C@H]1C2 ZINC001342149404 922834236 /nfs/dbraw/zinc/83/42/36/922834236.db2.gz JEBRZHNKDNCDCV-GXTWGEPZSA-N 2 2 259.353 0.911 20 0 CCADLP C[NH2+]C1CC(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)C1 ZINC001342204902 922860077 /nfs/dbraw/zinc/86/00/77/922860077.db2.gz STYLEHYZKTZRGB-IALDZJHCSA-N 2 2 269.389 0.210 20 0 CCADLP C[NH2+]C1CC(C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)C1 ZINC001342204902 922860088 /nfs/dbraw/zinc/86/00/88/922860088.db2.gz STYLEHYZKTZRGB-IALDZJHCSA-N 2 2 269.389 0.210 20 0 CCADLP C[N@H+](CC(=O)NCc1c[nH+]c2n1CCC2)[C@H]1CCSC1 ZINC001419532855 922898843 /nfs/dbraw/zinc/89/88/43/922898843.db2.gz COWGOYUMHYNSQQ-NSHDSACASA-N 2 2 294.424 0.883 20 0 CCADLP C[N@@H+](CC(=O)NCc1c[nH+]c2n1CCC2)[C@H]1CCSC1 ZINC001419532855 922898847 /nfs/dbraw/zinc/89/88/47/922898847.db2.gz COWGOYUMHYNSQQ-NSHDSACASA-N 2 2 294.424 0.883 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001342399529 922947103 /nfs/dbraw/zinc/94/71/03/922947103.db2.gz NABDGAYXIKESNY-CQSZACIVSA-N 2 2 262.357 0.944 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cnsn1 ZINC001419743897 923065035 /nfs/dbraw/zinc/06/50/35/923065035.db2.gz UGNWRVOTBVBSHC-CKYFFXLPSA-N 2 2 297.428 0.473 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1cnsn1 ZINC001419743897 923065050 /nfs/dbraw/zinc/06/50/50/923065050.db2.gz UGNWRVOTBVBSHC-CKYFFXLPSA-N 2 2 297.428 0.473 20 0 CCADLP COC[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001420004453 923232561 /nfs/dbraw/zinc/23/25/61/923232561.db2.gz YILNKIWUNLAIBS-RYUDHWBXSA-N 2 2 280.372 0.425 20 0 CCADLP C[C@@H](CCC[NH3+])NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001343506553 923355173 /nfs/dbraw/zinc/35/51/73/923355173.db2.gz FTSGVJXXLHBLEA-QWRGUYRKSA-N 2 2 250.346 0.689 20 0 CCADLP CC[C@@H](F)C[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001420197623 923401286 /nfs/dbraw/zinc/40/12/86/923401286.db2.gz IZRRSJKWTFWHQG-GHMZBOCLSA-N 2 2 286.351 0.075 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@H+](C)CC(N)=O)[NH+]1CCCCC1 ZINC001420358268 923577159 /nfs/dbraw/zinc/57/71/59/923577159.db2.gz NFBYIEYMSTXRMQ-AWEZNQCLSA-N 2 2 298.431 0.030 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@@H+](C)CC(N)=O)[NH+]1CCCCC1 ZINC001420358268 923577168 /nfs/dbraw/zinc/57/71/68/923577168.db2.gz NFBYIEYMSTXRMQ-AWEZNQCLSA-N 2 2 298.431 0.030 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001420527489 923749311 /nfs/dbraw/zinc/74/93/11/923749311.db2.gz FRWSGDWBNRUDTF-NWDGAFQWSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001420527489 923749322 /nfs/dbraw/zinc/74/93/22/923749322.db2.gz FRWSGDWBNRUDTF-NWDGAFQWSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001420527489 923749325 /nfs/dbraw/zinc/74/93/25/923749325.db2.gz FRWSGDWBNRUDTF-NWDGAFQWSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001420527489 923749339 /nfs/dbraw/zinc/74/93/39/923749339.db2.gz FRWSGDWBNRUDTF-NWDGAFQWSA-N 2 2 280.372 0.161 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[N@@H+](C)CCC[C@H](C)O ZINC001420671089 923867227 /nfs/dbraw/zinc/86/72/27/923867227.db2.gz YUAPIHWTNMOFFF-RYUDHWBXSA-N 2 2 296.415 0.858 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[N@H+](C)CCC[C@H](C)O ZINC001420671089 923867232 /nfs/dbraw/zinc/86/72/32/923867232.db2.gz YUAPIHWTNMOFFF-RYUDHWBXSA-N 2 2 296.415 0.858 20 0 CCADLP C[C@@H](O)CCC[N@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001420673024 923869567 /nfs/dbraw/zinc/86/95/67/923869567.db2.gz YKWHYJOPUJLKAO-QWHCGFSZSA-N 2 2 296.415 0.560 20 0 CCADLP C[C@@H](O)CCC[N@@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001420673024 923869574 /nfs/dbraw/zinc/86/95/74/923869574.db2.gz YKWHYJOPUJLKAO-QWHCGFSZSA-N 2 2 296.415 0.560 20 0 CCADLP CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)C1 ZINC001420806978 923948796 /nfs/dbraw/zinc/94/87/96/923948796.db2.gz JMXBEABVQTZUPC-KGLIPLIRSA-N 2 2 282.432 0.175 20 0 CCADLP CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)C1 ZINC001420806978 923948805 /nfs/dbraw/zinc/94/88/05/923948805.db2.gz JMXBEABVQTZUPC-KGLIPLIRSA-N 2 2 282.432 0.175 20 0 CCADLP CC1(C)C[NH2+]C[C@H]1NC(=O)NCCn1cc[nH+]c1 ZINC001346151038 924086202 /nfs/dbraw/zinc/08/62/02/924086202.db2.gz RTAQUOMJXLISRK-SNVBAGLBSA-N 2 2 251.334 0.180 20 0 CCADLP C[C@H]1C[C@H]1CNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001346192415 924103494 /nfs/dbraw/zinc/10/34/94/924103494.db2.gz TZSQXYYUUJPLNP-QWRGUYRKSA-N 2 2 254.378 0.365 20 0 CCADLP C/C(=C\C(=O)NC[C@H]1CCCC[N@H+]1C)C[NH+]1CCOCC1 ZINC001347501441 924464090 /nfs/dbraw/zinc/46/40/90/924464090.db2.gz GSQGHMXGRMPVTL-ATGUSINASA-N 2 2 295.427 0.865 20 0 CCADLP C/C(=C\C(=O)NC[C@H]1CCCC[N@@H+]1C)C[NH+]1CCOCC1 ZINC001347501441 924464094 /nfs/dbraw/zinc/46/40/94/924464094.db2.gz GSQGHMXGRMPVTL-ATGUSINASA-N 2 2 295.427 0.865 20 0 CCADLP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001348223845 924622466 /nfs/dbraw/zinc/62/24/66/924622466.db2.gz IOOAOUCZBFQFAW-CYZMBNFOSA-N 2 2 262.357 0.799 20 0 CCADLP C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001348223845 924622470 /nfs/dbraw/zinc/62/24/70/924622470.db2.gz IOOAOUCZBFQFAW-CYZMBNFOSA-N 2 2 262.357 0.799 20 0 CCADLP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001348223845 924622475 /nfs/dbraw/zinc/62/24/75/924622475.db2.gz IOOAOUCZBFQFAW-CYZMBNFOSA-N 2 2 262.357 0.799 20 0 CCADLP C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001348223845 924622479 /nfs/dbraw/zinc/62/24/79/924622479.db2.gz IOOAOUCZBFQFAW-CYZMBNFOSA-N 2 2 262.357 0.799 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001349824624 925071093 /nfs/dbraw/zinc/07/10/93/925071093.db2.gz JMKIZRNOLXTEEA-PHIMTYICSA-N 2 2 250.346 0.419 20 0 CCADLP C[NH2+][C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001352986767 925690453 /nfs/dbraw/zinc/69/04/53/925690453.db2.gz BZLUYVVJDDVSCA-JTQLQIEISA-N 2 2 250.346 0.898 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC001353403888 925822360 /nfs/dbraw/zinc/82/23/60/925822360.db2.gz AGYMRQSLNFMVLU-GWCFXTLKSA-N 2 2 263.345 0.443 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)NOC/C=C\Cl)CC1 ZINC001353406854 925823302 /nfs/dbraw/zinc/82/33/02/925823302.db2.gz UOINVUHFWYDZIF-RJRFIUFISA-N 2 2 276.768 0.393 20 0 CCADLP CC(C)(C)OCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001356610555 926409935 /nfs/dbraw/zinc/40/99/35/926409935.db2.gz SGIVDWCIXHJCBJ-UHFFFAOYSA-N 2 2 286.420 0.524 20 0 CCADLP [NH3+][C@H](CC(=O)N[C@@H]1C[NH2+]CCC1(F)F)C(F)F ZINC001357475229 926543565 /nfs/dbraw/zinc/54/35/65/926543565.db2.gz VMBIWHZXAFRZPO-PHDIDXHHSA-N 2 2 257.231 0.082 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001358070535 926630684 /nfs/dbraw/zinc/63/06/84/926630684.db2.gz RMSADNWSQUWYQS-UTUOFQBUSA-N 2 2 262.357 0.417 20 0 CCADLP Cc1conc1C[NH2+]C[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001421769361 926899403 /nfs/dbraw/zinc/89/94/03/926899403.db2.gz OCQKUQJDXUQVQB-LLVKDONJSA-N 2 2 291.355 0.722 20 0 CCADLP CC(C)C[C@H]([NH2+]C1CC[NH+](C)CC1)C(=O)N1CCOCC1 ZINC001474596590 926907162 /nfs/dbraw/zinc/90/71/62/926907162.db2.gz KLPQGVOPODLOCC-HNNXBMFYSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H](O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001422176055 927123223 /nfs/dbraw/zinc/12/32/23/927123223.db2.gz MIXGGCDHNWZYBE-OLZOCXBDSA-N 2 2 294.399 0.217 20 0 CCADLP C[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001422176055 927123226 /nfs/dbraw/zinc/12/32/26/927123226.db2.gz MIXGGCDHNWZYBE-OLZOCXBDSA-N 2 2 294.399 0.217 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)CC[NH+]2CC[C@@H](F)C2)CCO1 ZINC001361889664 927423746 /nfs/dbraw/zinc/42/37/46/927423746.db2.gz VSYYKSFMGAPCNQ-QWHCGFSZSA-N 2 2 287.379 0.257 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)CC[NH+]2CC[C@@H](F)C2)CCO1 ZINC001361889664 927423749 /nfs/dbraw/zinc/42/37/49/927423749.db2.gz VSYYKSFMGAPCNQ-QWHCGFSZSA-N 2 2 287.379 0.257 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)CC[N@@H+]2CC[C@@H](F)C2)CCO1 ZINC001361889664 927423754 /nfs/dbraw/zinc/42/37/54/927423754.db2.gz VSYYKSFMGAPCNQ-QWHCGFSZSA-N 2 2 287.379 0.257 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)CC[N@H+]2CC[C@@H](F)C2)CCO1 ZINC001361889664 927423759 /nfs/dbraw/zinc/42/37/59/927423759.db2.gz VSYYKSFMGAPCNQ-QWHCGFSZSA-N 2 2 287.379 0.257 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001422643603 927431315 /nfs/dbraw/zinc/43/13/15/927431315.db2.gz TVQCZJGQHOKTQN-AWEZNQCLSA-N 2 2 297.443 0.824 20 0 CCADLP C[C@H](CC(=O)N[C@H](C)C1C[NH+](CCO)C1)n1cc[nH+]c1 ZINC001422744062 927485371 /nfs/dbraw/zinc/48/53/71/927485371.db2.gz YRZJCXZOFBRTQJ-VXGBXAGGSA-N 2 2 280.372 0.263 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CCO1 ZINC001361997318 927508426 /nfs/dbraw/zinc/50/84/26/927508426.db2.gz UTCFYMVNJUKKRU-ILXRZTDVSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CCO1 ZINC001361997318 927508432 /nfs/dbraw/zinc/50/84/32/927508432.db2.gz UTCFYMVNJUKKRU-ILXRZTDVSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC001362009865 927515467 /nfs/dbraw/zinc/51/54/67/927515467.db2.gz NRCMOWWZIKBMAB-CYBMUJFWSA-N 2 2 285.432 0.801 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC1[C@H]2C[N@H+](C/C=C\Cl)C[C@@H]12 ZINC001422849414 927547980 /nfs/dbraw/zinc/54/79/80/927547980.db2.gz UCXIDXXPLAQYCT-GBHBQPSSSA-N 2 2 294.786 0.999 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC1[C@H]2C[N@@H+](C/C=C\Cl)C[C@@H]12 ZINC001422849414 927547995 /nfs/dbraw/zinc/54/79/95/927547995.db2.gz UCXIDXXPLAQYCT-GBHBQPSSSA-N 2 2 294.786 0.999 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001423064201 927654648 /nfs/dbraw/zinc/65/46/48/927654648.db2.gz WDHVBLAIYONIFL-YPMHNXCESA-N 2 2 280.372 0.402 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccon1 ZINC001423103900 927676791 /nfs/dbraw/zinc/67/67/91/927676791.db2.gz WTXQDNLNVNDUSZ-NSHDSACASA-N 2 2 291.355 0.816 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001423184921 927719247 /nfs/dbraw/zinc/71/92/47/927719247.db2.gz ZSKWMSSGQFXLSI-NEPJUHHUSA-N 2 2 280.372 0.188 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001423184921 927719261 /nfs/dbraw/zinc/71/92/61/927719261.db2.gz ZSKWMSSGQFXLSI-NEPJUHHUSA-N 2 2 280.372 0.188 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H](CO)[NH2+]CC1CCCC1 ZINC001423231398 927755540 /nfs/dbraw/zinc/75/55/40/927755540.db2.gz HKZXVZWWNMKJBN-CQSZACIVSA-N 2 2 294.399 0.599 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H](CO)[NH2+]CC1CCCC1 ZINC001423231398 927755549 /nfs/dbraw/zinc/75/55/49/927755549.db2.gz HKZXVZWWNMKJBN-CQSZACIVSA-N 2 2 294.399 0.599 20 0 CCADLP COC[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001423471799 927879767 /nfs/dbraw/zinc/87/97/67/927879767.db2.gz SCFAIVWDRMXCFE-GXTWGEPZSA-N 2 2 294.399 0.958 20 0 CCADLP COC[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001423471799 927879772 /nfs/dbraw/zinc/87/97/72/927879772.db2.gz SCFAIVWDRMXCFE-GXTWGEPZSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H](CC(=O)NC1(C)CC[NH+](CCO)CC1)n1cc[nH+]c1 ZINC001423522972 927908032 /nfs/dbraw/zinc/90/80/32/927908032.db2.gz UMCPQKGLZKEYPT-CYBMUJFWSA-N 2 2 294.399 0.797 20 0 CCADLP CC(C)C[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CCOCC1 ZINC001423710496 927961928 /nfs/dbraw/zinc/96/19/28/927961928.db2.gz BCRNUQUIXXNUIH-UHFFFAOYSA-N 2 2 294.399 0.863 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCO)[C@H](C)C1 ZINC001362401777 927969980 /nfs/dbraw/zinc/96/99/80/927969980.db2.gz YYZCCJPOYKQDPH-HUUCEWRRSA-N 2 2 297.443 0.632 20 0 CCADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCO)[C@H](C)C1 ZINC001362401777 927969992 /nfs/dbraw/zinc/96/99/92/927969992.db2.gz YYZCCJPOYKQDPH-HUUCEWRRSA-N 2 2 297.443 0.632 20 0 CCADLP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC001362401777 927970002 /nfs/dbraw/zinc/97/00/02/927970002.db2.gz YYZCCJPOYKQDPH-HUUCEWRRSA-N 2 2 297.443 0.632 20 0 CCADLP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC001362401777 927970017 /nfs/dbraw/zinc/97/00/17/927970017.db2.gz YYZCCJPOYKQDPH-HUUCEWRRSA-N 2 2 297.443 0.632 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC001362705740 928387371 /nfs/dbraw/zinc/38/73/71/928387371.db2.gz MEHWDCLGDLAYBC-NWDGAFQWSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC001362705740 928387386 /nfs/dbraw/zinc/38/73/86/928387386.db2.gz MEHWDCLGDLAYBC-NWDGAFQWSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)C1 ZINC001362743656 928433303 /nfs/dbraw/zinc/43/33/03/928433303.db2.gz YVNWQMRNCYETND-DGCLKSJQSA-N 2 2 277.372 0.224 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)C1 ZINC001362743656 928433314 /nfs/dbraw/zinc/43/33/14/928433314.db2.gz YVNWQMRNCYETND-DGCLKSJQSA-N 2 2 277.372 0.224 20 0 CCADLP CC(C)[C@@H](CCN(C)C(=O)Cn1cc[nH+]c1)[NH2+]C[C@@H](C)O ZINC001425166814 928450988 /nfs/dbraw/zinc/45/09/88/928450988.db2.gz VPGQWHMDKOUOGY-ZIAGYGMSSA-N 2 2 296.415 0.727 20 0 CCADLP Cc1noc(C[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C)n1 ZINC001425637933 928613852 /nfs/dbraw/zinc/61/38/52/928613852.db2.gz NTSJEOIAWOCDJY-SNVBAGLBSA-N 2 2 283.376 0.266 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC001362917150 928650356 /nfs/dbraw/zinc/65/03/56/928650356.db2.gz MSSFTKDTUDGLCG-JHJVBQTASA-N 2 2 283.441 0.777 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC001362917150 928650360 /nfs/dbraw/zinc/65/03/60/928650360.db2.gz MSSFTKDTUDGLCG-JHJVBQTASA-N 2 2 283.441 0.777 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001362917150 928650364 /nfs/dbraw/zinc/65/03/64/928650364.db2.gz MSSFTKDTUDGLCG-JHJVBQTASA-N 2 2 283.441 0.777 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC001362917150 928650368 /nfs/dbraw/zinc/65/03/68/928650368.db2.gz MSSFTKDTUDGLCG-JHJVBQTASA-N 2 2 283.441 0.777 20 0 CCADLP Cn1c[nH+]cc1C1CC[NH+](C[C@@H](O)C2(O)CCC2)CC1 ZINC001363332024 929124480 /nfs/dbraw/zinc/12/44/80/929124480.db2.gz PNPHTWDCITVDGB-CQSZACIVSA-N 2 2 279.384 0.875 20 0 CCADLP Cc1cc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)cc(C)n1 ZINC001363358766 929145765 /nfs/dbraw/zinc/14/57/65/929145765.db2.gz IPECQJBANAVYND-UHFFFAOYSA-N 2 2 276.384 0.562 20 0 CCADLP CCc1[nH]c(CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)c[nH+]1 ZINC001363606173 929412057 /nfs/dbraw/zinc/41/20/57/929412057.db2.gz QSXMHTWGMBLDAR-GFCCVEGCSA-N 2 2 278.356 0.309 20 0 CCADLP C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001363708248 929507360 /nfs/dbraw/zinc/50/73/60/929507360.db2.gz NAOKZUDFJMNTCL-IUODEOHRSA-N 2 2 294.399 0.264 20 0 CCADLP Cn1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cn1 ZINC001363879414 929629469 /nfs/dbraw/zinc/62/94/69/929629469.db2.gz LQDONYNFLOLTPS-LSDHHAIUSA-N 2 2 278.400 0.888 20 0 CCADLP CC[N@H+](C)CCC(=O)NC1C[NH+](CCc2cnn(C)c2)C1 ZINC001443522071 929634314 /nfs/dbraw/zinc/63/43/14/929634314.db2.gz CEORDUQVVIPTOH-UHFFFAOYSA-N 2 2 293.415 0.105 20 0 CCADLP CC[N@@H+](C)CCC(=O)NC1C[NH+](CCc2cnn(C)c2)C1 ZINC001443522071 929634328 /nfs/dbraw/zinc/63/43/28/929634328.db2.gz CEORDUQVVIPTOH-UHFFFAOYSA-N 2 2 293.415 0.105 20 0 CCADLP CC[C@@H](C[NH+]1CC(CNC(=O)Cn2cc[nH+]c2)C1)OC ZINC001443672252 929673291 /nfs/dbraw/zinc/67/32/91/929673291.db2.gz YMZAMMHJEVJEOC-ZDUSSCGKSA-N 2 2 280.372 0.356 20 0 CCADLP Cn1nccc1C[N@H+](C)CCNC(=O)C[NH+](C)C1CCC1 ZINC001371997857 929698875 /nfs/dbraw/zinc/69/88/75/929698875.db2.gz NBLIGPYVQWVVET-UHFFFAOYSA-N 2 2 293.415 0.452 20 0 CCADLP Cn1nccc1C[N@@H+](C)CCNC(=O)C[NH+](C)C1CCC1 ZINC001371997857 929698884 /nfs/dbraw/zinc/69/88/84/929698884.db2.gz NBLIGPYVQWVVET-UHFFFAOYSA-N 2 2 293.415 0.452 20 0 CCADLP Cn1nccc1C[NH+](C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001371997857 929698890 /nfs/dbraw/zinc/69/88/90/929698890.db2.gz NBLIGPYVQWVVET-UHFFFAOYSA-N 2 2 293.415 0.452 20 0 CCADLP Cn1nccc1C[NH+](C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001371997857 929698895 /nfs/dbraw/zinc/69/88/95/929698895.db2.gz NBLIGPYVQWVVET-UHFFFAOYSA-N 2 2 293.415 0.452 20 0 CCADLP C[C@H](CC(=O)N(C)[C@H]1CC[N@H+](CCCO)C1)n1cc[nH+]c1 ZINC001443828759 929718777 /nfs/dbraw/zinc/71/87/77/929718777.db2.gz WRYPGWBLMMWICE-KGLIPLIRSA-N 2 2 294.399 0.749 20 0 CCADLP C[C@H](CC(=O)N(C)[C@H]1CC[N@@H+](CCCO)C1)n1cc[nH+]c1 ZINC001443828759 929718788 /nfs/dbraw/zinc/71/87/88/929718788.db2.gz WRYPGWBLMMWICE-KGLIPLIRSA-N 2 2 294.399 0.749 20 0 CCADLP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]C[C@@H]1CCOC1 ZINC001444000128 929762841 /nfs/dbraw/zinc/76/28/41/929762841.db2.gz DKEFVFIGZDCZNF-RYUDHWBXSA-N 2 2 280.372 0.473 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001372667864 929909472 /nfs/dbraw/zinc/90/94/72/929909472.db2.gz SRBSEYODAQYUGB-NEPJUHHUSA-N 2 2 280.372 0.425 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001372667864 929909477 /nfs/dbraw/zinc/90/94/77/929909477.db2.gz SRBSEYODAQYUGB-NEPJUHHUSA-N 2 2 280.372 0.425 20 0 CCADLP CC(C)[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]CCO ZINC001444913224 929971540 /nfs/dbraw/zinc/97/15/40/929971540.db2.gz OJZCSBSQUSNZAA-QWHCGFSZSA-N 2 2 282.388 0.557 20 0 CCADLP CN(CC[N@H+](C)CCn1cccn1)C(=O)Cn1cc[nH+]c1 ZINC001445096795 930030894 /nfs/dbraw/zinc/03/08/94/930030894.db2.gz YGJUIJGMDWLGGD-UHFFFAOYSA-N 2 2 290.371 0.170 20 0 CCADLP CN(CC[N@@H+](C)CCn1cccn1)C(=O)Cn1cc[nH+]c1 ZINC001445096795 930030902 /nfs/dbraw/zinc/03/09/02/930030902.db2.gz YGJUIJGMDWLGGD-UHFFFAOYSA-N 2 2 290.371 0.170 20 0 CCADLP O=C(NCC[C@H]1CC[N@@H+](CCO)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001373203356 930102956 /nfs/dbraw/zinc/10/29/56/930102956.db2.gz XFPVLVCBTQCIFJ-YNEHKIRRSA-N 2 2 292.383 0.334 20 0 CCADLP O=C(NCC[C@H]1CC[N@H+](CCO)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001373203356 930102962 /nfs/dbraw/zinc/10/29/62/930102962.db2.gz XFPVLVCBTQCIFJ-YNEHKIRRSA-N 2 2 292.383 0.334 20 0 CCADLP O=C(NCC[C@H]1CC[N@@H+](CCO)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001373203356 930102967 /nfs/dbraw/zinc/10/29/67/930102967.db2.gz XFPVLVCBTQCIFJ-YNEHKIRRSA-N 2 2 292.383 0.334 20 0 CCADLP O=C(NCC[C@H]1CC[N@H+](CCO)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001373203356 930102975 /nfs/dbraw/zinc/10/29/75/930102975.db2.gz XFPVLVCBTQCIFJ-YNEHKIRRSA-N 2 2 292.383 0.334 20 0 CCADLP CC[NH+](CC)C[C@H](F)C(=O)NC1C[NH+](CCCF)C1 ZINC001373431337 930188431 /nfs/dbraw/zinc/18/84/31/930188431.db2.gz JJNKCHJOABPHAJ-LBPRGKRZSA-N 2 2 277.359 0.826 20 0 CCADLP C[C@@H](C[NH2+][C@@H](C)c1cnccn1)NC(=O)Cn1cc[nH+]c1 ZINC001445667584 930202572 /nfs/dbraw/zinc/20/25/72/930202572.db2.gz PFLPHNQNSZYRLA-RYUDHWBXSA-N 2 2 288.355 0.529 20 0 CCADLP CC[C@H](C[N@H+](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1)OC ZINC001445823148 930259513 /nfs/dbraw/zinc/25/95/13/930259513.db2.gz RQJFMXXZNAHAAE-DGCLKSJQSA-N 2 2 282.388 0.814 20 0 CCADLP CC[C@H](C[N@@H+](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1)OC ZINC001445823148 930259517 /nfs/dbraw/zinc/25/95/17/930259517.db2.gz RQJFMXXZNAHAAE-DGCLKSJQSA-N 2 2 282.388 0.814 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001373648406 930281920 /nfs/dbraw/zinc/28/19/20/930281920.db2.gz GCOQOVBURLYQPL-CHWSQXEVSA-N 2 2 294.399 0.578 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001373648406 930281924 /nfs/dbraw/zinc/28/19/24/930281924.db2.gz GCOQOVBURLYQPL-CHWSQXEVSA-N 2 2 294.399 0.578 20 0 CCADLP CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)[NH2+]Cc1nnc(C)o1 ZINC001373820438 930352912 /nfs/dbraw/zinc/35/29/12/930352912.db2.gz JSUKFQLQQWBJDS-NEPJUHHUSA-N 2 2 297.403 0.703 20 0 CCADLP CC[C@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+]C[C@@H](C)O ZINC001373822953 930355166 /nfs/dbraw/zinc/35/51/66/930355166.db2.gz RJKYFOPNIIZCJG-VXGBXAGGSA-N 2 2 282.388 0.218 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001374091020 930420194 /nfs/dbraw/zinc/42/01/94/930420194.db2.gz XFZLYDIUGPQTSL-WDEREUQCSA-N 2 2 290.367 0.899 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]CC1CCOCC1 ZINC001374115889 930425482 /nfs/dbraw/zinc/42/54/82/930425482.db2.gz ULTZEUODIILFFO-CYBMUJFWSA-N 2 2 294.399 0.652 20 0 CCADLP COCC[N@@H+]1CC[C@@](C)(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001446554038 930434533 /nfs/dbraw/zinc/43/45/33/930434533.db2.gz BWQJHMPEVLTRLX-OAHLLOKOSA-N 2 2 294.399 0.580 20 0 CCADLP COCC[N@H+]1CC[C@@](C)(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001446554038 930434534 /nfs/dbraw/zinc/43/45/34/930434534.db2.gz BWQJHMPEVLTRLX-OAHLLOKOSA-N 2 2 294.399 0.580 20 0 CCADLP CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001446755379 930477439 /nfs/dbraw/zinc/47/74/39/930477439.db2.gz GORIQMRYWPMYIP-IUODEOHRSA-N 2 2 292.383 0.018 20 0 CCADLP CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001446755379 930477445 /nfs/dbraw/zinc/47/74/45/930477445.db2.gz GORIQMRYWPMYIP-IUODEOHRSA-N 2 2 292.383 0.018 20 0 CCADLP C[C@@H](O)C[N@H+](C)C[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001447762108 930699875 /nfs/dbraw/zinc/69/98/75/930699875.db2.gz TWVWCSUUNDQVOO-OCCSQVGLSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001447762108 930699881 /nfs/dbraw/zinc/69/98/81/930699881.db2.gz TWVWCSUUNDQVOO-OCCSQVGLSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@@H](O)C[N@H+](C)C[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001447762108 930699886 /nfs/dbraw/zinc/69/98/86/930699886.db2.gz TWVWCSUUNDQVOO-OCCSQVGLSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001447762108 930699891 /nfs/dbraw/zinc/69/98/91/930699891.db2.gz TWVWCSUUNDQVOO-OCCSQVGLSA-N 2 2 294.399 0.646 20 0 CCADLP CC(C)c1noc(C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001374930522 930728150 /nfs/dbraw/zinc/72/81/50/930728150.db2.gz IPLLMOCWPQCAEZ-NSHDSACASA-N 2 2 297.403 0.739 20 0 CCADLP C[C@@H](CC[NH+](C)C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001448028193 930791583 /nfs/dbraw/zinc/79/15/83/930791583.db2.gz YFBNSHGTHNCCJU-RYUDHWBXSA-N 2 2 264.373 0.902 20 0 CCADLP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)Cc1ccn(C)n1 ZINC001448152220 930840572 /nfs/dbraw/zinc/84/05/72/930840572.db2.gz ZQTCQNBNYRZEOK-CYBMUJFWSA-N 2 2 293.415 0.452 20 0 CCADLP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)Cc1ccn(C)n1 ZINC001448152220 930840582 /nfs/dbraw/zinc/84/05/82/930840582.db2.gz ZQTCQNBNYRZEOK-CYBMUJFWSA-N 2 2 293.415 0.452 20 0 CCADLP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001375438452 930887468 /nfs/dbraw/zinc/88/74/68/930887468.db2.gz LYOXLGZFSLSKKW-NEPJUHHUSA-N 2 2 292.383 0.065 20 0 CCADLP C[C@H]([NH2+]CCF)[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001448463160 930893457 /nfs/dbraw/zinc/89/34/57/930893457.db2.gz ITJOIOOWHGJGBJ-WCQYABFASA-N 2 2 298.362 0.138 20 0 CCADLP CC1(C)CC(C[NH2+][C@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001448910013 931026049 /nfs/dbraw/zinc/02/60/49/931026049.db2.gz WVMIZOYAMUPANP-ZDUSSCGKSA-N 2 2 294.399 0.455 20 0 CCADLP CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001376075073 931045386 /nfs/dbraw/zinc/04/53/86/931045386.db2.gz WAMGYARTISUYRF-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001376075073 931045396 /nfs/dbraw/zinc/04/53/96/931045396.db2.gz WAMGYARTISUYRF-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CC[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001376229386 931098074 /nfs/dbraw/zinc/09/80/74/931098074.db2.gz IUMCEPPYUWBQMC-KBPBESRZSA-N 2 2 297.443 0.680 20 0 CCADLP CC[C@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001376229386 931098077 /nfs/dbraw/zinc/09/80/77/931098077.db2.gz IUMCEPPYUWBQMC-KBPBESRZSA-N 2 2 297.443 0.680 20 0 CCADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC[NH+](CCCO)CC1 ZINC001449349171 931131393 /nfs/dbraw/zinc/13/13/93/931131393.db2.gz BFOCDPRJCLXXDE-GFCCVEGCSA-N 2 2 294.399 0.551 20 0 CCADLP CCc1nnc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)C2)o1 ZINC001376405803 931141330 /nfs/dbraw/zinc/14/13/30/931141330.db2.gz YPUQRBAZMNETSF-NSHDSACASA-N 2 2 295.387 0.274 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]C[C@H](C)O)CCC1 ZINC001376806020 931285278 /nfs/dbraw/zinc/28/52/78/931285278.db2.gz FOOWCNYSCAEAFN-JTQLQIEISA-N 2 2 280.372 0.270 20 0 CCADLP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001377080268 931375300 /nfs/dbraw/zinc/37/53/00/931375300.db2.gz VSYDCCVKPVYZRR-NWDGAFQWSA-N 2 2 295.387 0.065 20 0 CCADLP CC[NH2+]CC1(NC(=O)CCc2c[nH+]cn2C)CCOCC1 ZINC001377205483 931426181 /nfs/dbraw/zinc/42/61/81/931426181.db2.gz NRPJHEHGUHSIIZ-UHFFFAOYSA-N 2 2 294.399 0.628 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124428773 187137220 /nfs/dbraw/zinc/13/72/20/187137220.db2.gz LBRBMTFCUXTGQH-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124428773 187137221 /nfs/dbraw/zinc/13/72/21/187137221.db2.gz LBRBMTFCUXTGQH-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124428330 187137354 /nfs/dbraw/zinc/13/73/54/187137354.db2.gz LBRBMTFCUXTGQH-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124428330 187137355 /nfs/dbraw/zinc/13/73/55/187137355.db2.gz LBRBMTFCUXTGQH-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000337446867 214086911 /nfs/dbraw/zinc/08/69/11/214086911.db2.gz IWCMXCDEEIFPTP-LLVKDONJSA-N 2 2 257.359 0.310 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000337446867 214086913 /nfs/dbraw/zinc/08/69/13/214086913.db2.gz IWCMXCDEEIFPTP-LLVKDONJSA-N 2 2 257.359 0.310 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC1CC[NH+](C)CC1 ZINC000337446164 214087819 /nfs/dbraw/zinc/08/78/19/214087819.db2.gz CEQOABKFJIHXNT-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP [NH3+]C1CC[NH+](CC(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000092714517 349503671 /nfs/dbraw/zinc/50/36/71/349503671.db2.gz YLKVULHUEFSWLA-UHFFFAOYSA-N 2 2 291.351 0.455 20 0 CCADLP CN(CC[NH+](C)C)c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000092919053 349511979 /nfs/dbraw/zinc/51/19/79/349511979.db2.gz UBNBXFAUDXOABX-UHFFFAOYSA-N 2 2 261.333 0.242 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000092955602 349515365 /nfs/dbraw/zinc/51/53/65/349515365.db2.gz GEPOZCSLSLKZIY-NWDGAFQWSA-N 2 2 269.389 0.211 20 0 CCADLP CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCCO1 ZINC000093168962 349528536 /nfs/dbraw/zinc/52/85/36/349528536.db2.gz CPSQDEJPHKNJLR-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP CC[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCCO1 ZINC000093168962 349528541 /nfs/dbraw/zinc/52/85/41/349528541.db2.gz CPSQDEJPHKNJLR-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP C[NH+]1CCC(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)CC1 ZINC000337600200 214176320 /nfs/dbraw/zinc/17/63/20/214176320.db2.gz RKMVXGOMYWBNQC-OAHLLOKOSA-N 2 2 288.395 0.896 20 0 CCADLP CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)[NH+](C)C ZINC000617506763 365663852 /nfs/dbraw/zinc/66/38/52/365663852.db2.gz YMLYVMROIXVXBO-KBPBESRZSA-N 3 2 286.464 0.715 20 0 CCADLP CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)[NH+](C)C ZINC000617506763 365663854 /nfs/dbraw/zinc/66/38/54/365663854.db2.gz YMLYVMROIXVXBO-KBPBESRZSA-N 3 2 286.464 0.715 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000093821110 349554789 /nfs/dbraw/zinc/55/47/89/349554789.db2.gz LOGGETJHSKZREO-CYBMUJFWSA-N 2 2 277.372 0.148 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000093821110 349554792 /nfs/dbraw/zinc/55/47/92/349554792.db2.gz LOGGETJHSKZREO-CYBMUJFWSA-N 2 2 277.372 0.148 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000093821110 349554797 /nfs/dbraw/zinc/55/47/97/349554797.db2.gz LOGGETJHSKZREO-CYBMUJFWSA-N 2 2 277.372 0.148 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000093821110 349554800 /nfs/dbraw/zinc/55/48/00/349554800.db2.gz LOGGETJHSKZREO-CYBMUJFWSA-N 2 2 277.372 0.148 20 0 CCADLP [NH3+]CCCOC1CC[NH+](Cc2nnnn2C2CC2)CC1 ZINC000094072770 349559711 /nfs/dbraw/zinc/55/97/11/349559711.db2.gz HPISGRUWCIELLW-UHFFFAOYSA-N 2 2 280.376 0.338 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2COC2)CC1 ZINC000600209402 361891939 /nfs/dbraw/zinc/89/19/39/361891939.db2.gz GWPDCLCIQDDPMI-UHFFFAOYSA-N 2 2 270.373 0.640 20 0 CCADLP C[C@@H]1C[N@@H+](CCCNC(=O)CCn2cc[nH+]c2)C[C@H](C)O1 ZINC000338015968 214362805 /nfs/dbraw/zinc/36/28/05/214362805.db2.gz XZQHCHBFPSSFCH-OKILXGFUSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@@H]1C[N@H+](CCCNC(=O)CCn2cc[nH+]c2)C[C@H](C)O1 ZINC000338015968 214362808 /nfs/dbraw/zinc/36/28/08/214362808.db2.gz XZQHCHBFPSSFCH-OKILXGFUSA-N 2 2 294.399 0.889 20 0 CCADLP CC[NH+]1CCN(CCC(=O)NCCn2cc[nH+]c2)CC1 ZINC000338001691 214353812 /nfs/dbraw/zinc/35/38/12/214353812.db2.gz AHVKGJKPSLHNCI-UHFFFAOYSA-N 2 2 279.388 0.027 20 0 CCADLP CCN1CC[NH+](CCC(=O)NCCn2cc[nH+]c2)CC1 ZINC000338001691 214353814 /nfs/dbraw/zinc/35/38/14/214353814.db2.gz AHVKGJKPSLHNCI-UHFFFAOYSA-N 2 2 279.388 0.027 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000418719648 529444324 /nfs/dbraw/zinc/44/43/24/529444324.db2.gz IHUDCOOCWWGZLE-NEPJUHHUSA-N 2 2 272.393 0.086 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000103492703 349701445 /nfs/dbraw/zinc/70/14/45/349701445.db2.gz ICOCEKGMZAHBOL-UHFFFAOYSA-N 2 2 285.432 0.897 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000493110697 529557668 /nfs/dbraw/zinc/55/76/68/529557668.db2.gz AMLJCNZJILYRGV-QMAVJUDZSA-N 2 2 262.357 0.984 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000418719651 529557735 /nfs/dbraw/zinc/55/77/35/529557735.db2.gz IHUDCOOCWWGZLE-VXGBXAGGSA-N 2 2 272.393 0.086 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)N1CC[NH+](CCO)CC1 ZINC000492299605 529557744 /nfs/dbraw/zinc/55/77/44/529557744.db2.gz NHPKJUNLXPUNQC-ARJAWSKDSA-N 2 2 278.356 0.053 20 0 CCADLP CN(C)C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112200746 349779336 /nfs/dbraw/zinc/77/93/36/349779336.db2.gz DIWDDBIZQYPSPP-CYBMUJFWSA-N 2 2 269.389 0.119 20 0 CCADLP CN(C)C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112200746 349779338 /nfs/dbraw/zinc/77/93/38/349779338.db2.gz DIWDDBIZQYPSPP-CYBMUJFWSA-N 2 2 269.389 0.119 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)NC1CC1 ZINC000371301929 282211180 /nfs/dbraw/zinc/21/11/80/282211180.db2.gz WOOXEFLLKATCTE-MGPQQGTHSA-N 2 2 281.400 0.449 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC(=O)NC1CC1 ZINC000371301929 282211182 /nfs/dbraw/zinc/21/11/82/282211182.db2.gz WOOXEFLLKATCTE-MGPQQGTHSA-N 2 2 281.400 0.449 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000273152113 192058881 /nfs/dbraw/zinc/05/88/81/192058881.db2.gz ZDMTZKKNFNFAIA-OLZOCXBDSA-N 2 2 280.372 0.356 20 0 CCADLP COC(=O)c1cnc(C[NH2+]CC2([NH3+])CCC2)cn1 ZINC000600710302 362040417 /nfs/dbraw/zinc/04/04/17/362040417.db2.gz RECSUYFHMKUMOI-UHFFFAOYSA-N 2 2 250.302 0.234 20 0 CCADLP Cc1cncc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000600710674 362042634 /nfs/dbraw/zinc/04/26/34/362042634.db2.gz QCBBIBZZVHZGMF-STQMWFEESA-N 2 2 260.341 0.134 20 0 CCADLP Cc1cncc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000600710674 362042635 /nfs/dbraw/zinc/04/26/35/362042635.db2.gz QCBBIBZZVHZGMF-STQMWFEESA-N 2 2 260.341 0.134 20 0 CCADLP CCC(CC)[C@@H](C(=O)N1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000351490367 282221150 /nfs/dbraw/zinc/22/11/50/282221150.db2.gz LBLSNFBKHZTKDE-HNNXBMFYSA-N 2 2 297.443 0.897 20 0 CCADLP CCC(CC)[C@@H](C(=O)NC[C@@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000178761532 282223645 /nfs/dbraw/zinc/22/36/45/282223645.db2.gz MJUVTNRNXFRKGP-GJZGRUSLSA-N 2 2 297.443 0.992 20 0 CCADLP CC[C@H](O)C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000304351399 529702413 /nfs/dbraw/zinc/70/24/13/529702413.db2.gz ZAMXTDUZSCJPGX-LBPRGKRZSA-N 2 2 279.388 0.436 20 0 CCADLP CCC(CC)[C@H](C(=O)NCC1C[NH2+]C1)[NH+]1CCOCC1 ZINC000342839047 282253349 /nfs/dbraw/zinc/25/33/49/282253349.db2.gz GCTGHTALGJZPBI-CQSZACIVSA-N 2 2 283.416 0.459 20 0 CCADLP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000364414518 282254881 /nfs/dbraw/zinc/25/48/81/282254881.db2.gz CZHBWPHFQFAPHT-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C[NH+](C)C)C2)C[C@H](C)O1 ZINC000113514016 349815257 /nfs/dbraw/zinc/81/52/57/349815257.db2.gz NHKISDLZGHPUCJ-HZSPNIEDSA-N 2 2 283.416 0.506 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C[NH+](C)C)C2)C[C@H](C)O1 ZINC000113514016 349815262 /nfs/dbraw/zinc/81/52/62/349815262.db2.gz NHKISDLZGHPUCJ-HZSPNIEDSA-N 2 2 283.416 0.506 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CCC[NH+](C)C)CC[N@@H+]1C ZINC000617763400 365766444 /nfs/dbraw/zinc/76/64/44/365766444.db2.gz PQXWMGHTFUADNK-ZIAGYGMSSA-N 3 2 284.448 0.326 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[NH+](C)CCC[NH+](C)C)CC[N@H+]1C ZINC000617763400 365766450 /nfs/dbraw/zinc/76/64/50/365766450.db2.gz PQXWMGHTFUADNK-ZIAGYGMSSA-N 3 2 284.448 0.326 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)CC[NH+]1C ZINC000617763400 365766453 /nfs/dbraw/zinc/76/64/53/365766453.db2.gz PQXWMGHTFUADNK-ZIAGYGMSSA-N 3 2 284.448 0.326 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC[NH+]1C ZINC000617763400 365766458 /nfs/dbraw/zinc/76/64/58/365766458.db2.gz PQXWMGHTFUADNK-ZIAGYGMSSA-N 3 2 284.448 0.326 20 0 CCADLP CO[C@@H]1CC[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000617763335 365766874 /nfs/dbraw/zinc/76/68/74/365766874.db2.gz NQQYGDRFLIXAQW-UONOGXRCSA-N 2 2 285.432 0.801 20 0 CCADLP CO[C@@H]1CC[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000617763335 365766876 /nfs/dbraw/zinc/76/68/76/365766876.db2.gz NQQYGDRFLIXAQW-UONOGXRCSA-N 2 2 285.432 0.801 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)CO1 ZINC000617765207 365770724 /nfs/dbraw/zinc/77/07/24/365770724.db2.gz XDERVMKXVZTEGM-QWHCGFSZSA-N 2 2 271.405 0.411 20 0 CCADLP CCn1cc(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)cn1 ZINC000617765164 365768277 /nfs/dbraw/zinc/76/82/77/365768277.db2.gz VXUUYCAIFVEBMQ-UHFFFAOYSA-N 2 2 295.431 0.445 20 0 CCADLP CCn1cc(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000617765164 365768281 /nfs/dbraw/zinc/76/82/81/365768281.db2.gz VXUUYCAIFVEBMQ-UHFFFAOYSA-N 2 2 295.431 0.445 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CO1 ZINC000617765207 365770730 /nfs/dbraw/zinc/77/07/30/365770730.db2.gz XDERVMKXVZTEGM-QWHCGFSZSA-N 2 2 271.405 0.411 20 0 CCADLP Cc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)nn1C ZINC000617767221 365772857 /nfs/dbraw/zinc/77/28/57/365772857.db2.gz LBQCWIBRULOTBW-UHFFFAOYSA-N 2 2 281.404 0.342 20 0 CCADLP Cc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)nn1C ZINC000617767221 365772861 /nfs/dbraw/zinc/77/28/61/365772861.db2.gz LBQCWIBRULOTBW-UHFFFAOYSA-N 2 2 281.404 0.342 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnccn1 ZINC000617768555 365772920 /nfs/dbraw/zinc/77/29/20/365772920.db2.gz JJNFBECRTVRLJG-UHFFFAOYSA-N 2 2 265.361 0.090 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnccn1 ZINC000617768555 365772927 /nfs/dbraw/zinc/77/29/27/365772927.db2.gz JJNFBECRTVRLJG-UHFFFAOYSA-N 2 2 265.361 0.090 20 0 CCADLP CCc1ocnc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617766548 365773155 /nfs/dbraw/zinc/77/31/55/365773155.db2.gz OSKDELXIAHULQD-UHFFFAOYSA-N 2 2 282.388 0.850 20 0 CCADLP CCc1ocnc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617766548 365773161 /nfs/dbraw/zinc/77/31/61/365773161.db2.gz OSKDELXIAHULQD-UHFFFAOYSA-N 2 2 282.388 0.850 20 0 CCADLP Cc1ncc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(C)n1 ZINC000617765231 365771494 /nfs/dbraw/zinc/77/14/94/365771494.db2.gz YFNAPUQAZCOTDD-UHFFFAOYSA-N 2 2 293.415 0.707 20 0 CCADLP Cc1ncc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c(C)n1 ZINC000617765231 365771497 /nfs/dbraw/zinc/77/14/97/365771497.db2.gz YFNAPUQAZCOTDD-UHFFFAOYSA-N 2 2 293.415 0.707 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C2(CC(N)=O)CCC2)n1C ZINC000425336800 529808775 /nfs/dbraw/zinc/80/87/75/529808775.db2.gz LVYSUGVQAUJFDO-UHFFFAOYSA-N 2 2 265.361 0.374 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCCN2CCCC2=O)n1C ZINC000425358104 529809358 /nfs/dbraw/zinc/80/93/58/529809358.db2.gz OJZCWRLHBCKRQW-UHFFFAOYSA-N 2 2 279.388 0.588 20 0 CCADLP CC(C)OC[C@H](O)C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000115739238 349860351 /nfs/dbraw/zinc/86/03/51/349860351.db2.gz JAHITIUOHNBRRE-OAHLLOKOSA-N 2 2 288.432 0.551 20 0 CCADLP CC(C)OC[C@H](O)C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000115739238 349860353 /nfs/dbraw/zinc/86/03/53/349860353.db2.gz JAHITIUOHNBRRE-OAHLLOKOSA-N 2 2 288.432 0.551 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000115576547 349857703 /nfs/dbraw/zinc/85/77/03/349857703.db2.gz BUDOQGAPMGAQGU-AWEZNQCLSA-N 2 2 295.427 0.840 20 0 CCADLP CC[C@H]1COCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000115576547 349857705 /nfs/dbraw/zinc/85/77/05/349857705.db2.gz BUDOQGAPMGAQGU-AWEZNQCLSA-N 2 2 295.427 0.840 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)c1 ZINC000116277639 349866559 /nfs/dbraw/zinc/86/65/59/349866559.db2.gz CNJUICLOUYJURL-CYBMUJFWSA-N 2 2 290.367 0.443 20 0 CCADLP C[N@H+](CCCO)C1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493612821 529893460 /nfs/dbraw/zinc/89/34/60/529893460.db2.gz BNLAPXZGCHEKEK-ONEGZZNKSA-N 2 2 292.383 0.728 20 0 CCADLP C[N@@H+](CCCO)C1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493612821 529893462 /nfs/dbraw/zinc/89/34/62/529893462.db2.gz BNLAPXZGCHEKEK-ONEGZZNKSA-N 2 2 292.383 0.728 20 0 CCADLP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000330835421 282308609 /nfs/dbraw/zinc/30/86/09/282308609.db2.gz WUHBSKGNILOYPM-LBPRGKRZSA-N 2 2 283.397 0.814 20 0 CCADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000573560269 334947014 /nfs/dbraw/zinc/94/70/14/334947014.db2.gz FTLVNJMJZPTIAO-YPMHNXCESA-N 2 2 276.384 0.876 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000118105559 349899065 /nfs/dbraw/zinc/89/90/65/349899065.db2.gz AGDMNTSZKSUNEV-JTQLQIEISA-N 2 2 292.339 0.239 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000118105559 349899070 /nfs/dbraw/zinc/89/90/70/349899070.db2.gz AGDMNTSZKSUNEV-JTQLQIEISA-N 2 2 292.339 0.239 20 0 CCADLP C[C@H](C(=O)NCCC1CC[NH+](C)CC1)[NH+]1CCN(C)CC1 ZINC000338940133 214850476 /nfs/dbraw/zinc/85/04/76/214850476.db2.gz RFSJCWRBHYATLD-CQSZACIVSA-N 2 2 296.459 0.470 20 0 CCADLP C[NH2+]CCCNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000418305677 529967567 /nfs/dbraw/zinc/96/75/67/529967567.db2.gz ILYJMZFKNFOWCA-CYBMUJFWSA-N 2 2 284.404 0.102 20 0 CCADLP C[NH2+]CCCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000417922876 529969922 /nfs/dbraw/zinc/96/99/22/529969922.db2.gz JTESFPZHDOZEAW-LBPRGKRZSA-N 2 2 277.372 0.569 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000118949942 349911255 /nfs/dbraw/zinc/91/12/55/349911255.db2.gz JYABHOSDWHIEMH-ZDUSSCGKSA-N 2 2 294.399 0.530 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000118949942 349911259 /nfs/dbraw/zinc/91/12/59/349911259.db2.gz JYABHOSDWHIEMH-ZDUSSCGKSA-N 2 2 294.399 0.530 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC000298722992 232005629 /nfs/dbraw/zinc/00/56/29/232005629.db2.gz PCDWFKIHKFCTQQ-UHFFFAOYSA-N 2 2 276.384 0.330 20 0 CCADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424158504 530027698 /nfs/dbraw/zinc/02/76/98/530027698.db2.gz RAGOXPQMGYVQKC-SFYZADRCSA-N 2 2 276.262 0.751 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)CC1 ZINC000451713170 530068094 /nfs/dbraw/zinc/06/80/94/530068094.db2.gz RKDDSQCWIMVXQU-KFWWJZLASA-N 2 2 295.427 0.243 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)CC1 ZINC000451713170 530068095 /nfs/dbraw/zinc/06/80/95/530068095.db2.gz RKDDSQCWIMVXQU-KFWWJZLASA-N 2 2 295.427 0.243 20 0 CCADLP CN1CC[N@H+](C)[C@@H](CNC(=O)C[C@@H]2CCC[NH2+]CC2)C1 ZINC000427292896 530070515 /nfs/dbraw/zinc/07/05/15/530070515.db2.gz VSTCOESMUBAKIK-KGLIPLIRSA-N 2 2 282.432 0.128 20 0 CCADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)C[C@@H]2CCC[NH2+]CC2)C1 ZINC000427292896 530070516 /nfs/dbraw/zinc/07/05/16/530070516.db2.gz VSTCOESMUBAKIK-KGLIPLIRSA-N 2 2 282.432 0.128 20 0 CCADLP COCCC(=O)N1CCC([NH2+][C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000358298100 232076976 /nfs/dbraw/zinc/07/69/76/232076976.db2.gz MDSFZDYKTYNXQT-OCCSQVGLSA-N 2 2 283.416 0.554 20 0 CCADLP COCCC(=O)N1CCC([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000358298100 232076980 /nfs/dbraw/zinc/07/69/80/232076980.db2.gz MDSFZDYKTYNXQT-OCCSQVGLSA-N 2 2 283.416 0.554 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000127405779 187303870 /nfs/dbraw/zinc/30/38/70/187303870.db2.gz YHVINVVXHUNWNK-PWSUYJOCSA-N 2 2 266.345 0.156 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000127405779 187303872 /nfs/dbraw/zinc/30/38/72/187303872.db2.gz YHVINVVXHUNWNK-PWSUYJOCSA-N 2 2 266.345 0.156 20 0 CCADLP C[C@@H]1C[NH+](CCCNC(=O)Cn2cc[nH+]c2)C[C@@H](C)O1 ZINC000120139534 349970393 /nfs/dbraw/zinc/97/03/93/349970393.db2.gz HFXJUQDJJUCZRY-CHWSQXEVSA-N 2 2 280.372 0.499 20 0 CCADLP C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000359774169 295752441 /nfs/dbraw/zinc/75/24/41/295752441.db2.gz MFWSVMQXCPOVJO-FRRDWIJNSA-N 2 2 269.389 0.116 20 0 CCADLP CC(C)n1cc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cn1 ZINC000261644102 535059991 /nfs/dbraw/zinc/05/99/91/535059991.db2.gz COYJVEKVZJQTHG-HNNXBMFYSA-N 2 2 277.416 0.944 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)NC1CCCCC1 ZINC000261591544 137011003 /nfs/dbraw/zinc/01/10/03/137011003.db2.gz MAWWBAJCHPLLJK-CHWSQXEVSA-N 2 2 265.401 0.977 20 0 CCADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)NC1CCCCC1 ZINC000261591544 137011004 /nfs/dbraw/zinc/01/10/04/137011004.db2.gz MAWWBAJCHPLLJK-CHWSQXEVSA-N 2 2 265.401 0.977 20 0 CCADLP COc1c(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c(C)nn1C ZINC000261637776 137013666 /nfs/dbraw/zinc/01/36/66/137013666.db2.gz IJIAUDRKBFWIML-CYBMUJFWSA-N 2 2 293.415 0.217 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000262699804 137050974 /nfs/dbraw/zinc/05/09/74/137050974.db2.gz GYLXCUYSXBIHIV-YDHLFZDLSA-N 2 2 283.416 0.683 20 0 CCADLP C[NH+](C)CCn1cc(NC(=O)CCc2c[nH+]c[nH]2)cn1 ZINC000684423275 545666558 /nfs/dbraw/zinc/66/65/58/545666558.db2.gz ASLDXPFHEIVSKD-UHFFFAOYSA-N 2 2 276.344 0.739 20 0 CCADLP C[NH+](C)CCn1cc(NC(=O)CCc2c[nH]c[nH+]2)cn1 ZINC000684423275 545666564 /nfs/dbraw/zinc/66/65/64/545666564.db2.gz ASLDXPFHEIVSKD-UHFFFAOYSA-N 2 2 276.344 0.739 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000263128013 137058828 /nfs/dbraw/zinc/05/88/28/137058828.db2.gz BKHGEYRZEXAVSO-MFKMUULPSA-N 2 2 250.346 0.944 20 0 CCADLP Cc1cc(N2CC[C@H]([N@@H+]3CC[C@@](C)(C[NH3+])C3)C2=O)n(C)n1 ZINC000261768029 137018927 /nfs/dbraw/zinc/01/89/27/137018927.db2.gz MDIQNFZMYHTJKO-WFASDCNBSA-N 2 2 291.399 0.505 20 0 CCADLP Cc1cc(N2CC[C@H]([N@H+]3CC[C@@](C)(C[NH3+])C3)C2=O)n(C)n1 ZINC000261768029 137018928 /nfs/dbraw/zinc/01/89/28/137018928.db2.gz MDIQNFZMYHTJKO-WFASDCNBSA-N 2 2 291.399 0.505 20 0 CCADLP O=c1n2ccccc2nn1CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261800913 137020382 /nfs/dbraw/zinc/02/03/82/137020382.db2.gz YREZFDNQDVLTGS-STQMWFEESA-N 2 2 287.367 0.037 20 0 CCADLP O=c1n2ccccc2nn1CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261800913 137020383 /nfs/dbraw/zinc/02/03/83/137020383.db2.gz YREZFDNQDVLTGS-STQMWFEESA-N 2 2 287.367 0.037 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000261813432 137020925 /nfs/dbraw/zinc/02/09/25/137020925.db2.gz HWJJZTUOFFSUMM-IXDOHACOSA-N 3 2 294.487 0.944 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000261813432 137020926 /nfs/dbraw/zinc/02/09/26/137020926.db2.gz HWJJZTUOFFSUMM-IXDOHACOSA-N 3 2 294.487 0.944 20 0 CCADLP Cn1ccnc1[C@H]1C[NH2+]CCN1Cc1c[nH+]cn1C ZINC000261831926 137021791 /nfs/dbraw/zinc/02/17/91/137021791.db2.gz VPAVFEAPVPYBKR-GFCCVEGCSA-N 2 2 260.345 0.300 20 0 CCADLP NC(=O)NC(=O)CC[N@H+](CC[NH3+])CCc1ccccc1 ZINC000261839834 137021975 /nfs/dbraw/zinc/02/19/75/137021975.db2.gz WLBHSCNYYJISIP-UHFFFAOYSA-N 2 2 278.356 0.075 20 0 CCADLP NC(=O)NC(=O)CC[N@@H+](CC[NH3+])CCc1ccccc1 ZINC000261839834 137021976 /nfs/dbraw/zinc/02/19/76/137021976.db2.gz WLBHSCNYYJISIP-UHFFFAOYSA-N 2 2 278.356 0.075 20 0 CCADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)NCc2cccnc2)C1 ZINC000261910025 137025599 /nfs/dbraw/zinc/02/55/99/137025599.db2.gz XLTMREHJXVXIFJ-AWEZNQCLSA-N 2 2 262.357 0.369 20 0 CCADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)NCc2cccnc2)C1 ZINC000261910025 137025600 /nfs/dbraw/zinc/02/56/00/137025600.db2.gz XLTMREHJXVXIFJ-AWEZNQCLSA-N 2 2 262.357 0.369 20 0 CCADLP O=C1c2ccccc2C(=O)N1CC[NH2+][C@H]1CC[NH2+]C1 ZINC000262174162 137029244 /nfs/dbraw/zinc/02/92/44/137029244.db2.gz QOIOLGBREXJNEE-JTQLQIEISA-N 2 2 259.309 0.234 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H](C)C1C[NH2+]C1)[NH+]1CCOCC1 ZINC000262302675 137036297 /nfs/dbraw/zinc/03/62/97/137036297.db2.gz BRXDHUFOWXNJHZ-SDDRHHMPSA-N 2 2 269.389 0.067 20 0 CCADLP COc1c(C)c[nH+]c(C[N@@H+]2CC[C@](O)(C(N)=O)C2)c1C ZINC000312769060 137078030 /nfs/dbraw/zinc/07/80/30/137078030.db2.gz LNHDMISSGXRSJA-CQSZACIVSA-N 2 2 279.340 0.129 20 0 CCADLP COc1c(C)c[nH+]c(C[N@H+]2CC[C@](O)(C(N)=O)C2)c1C ZINC000312769060 137078031 /nfs/dbraw/zinc/07/80/31/137078031.db2.gz LNHDMISSGXRSJA-CQSZACIVSA-N 2 2 279.340 0.129 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](C)C[NH+](C)C ZINC000342912935 137103441 /nfs/dbraw/zinc/10/34/41/137103441.db2.gz NMSVKOZVTBZLML-WDEREUQCSA-N 2 2 253.350 0.521 20 0 CCADLP NC(=O)[C@H]1CSCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000343584456 137143366 /nfs/dbraw/zinc/14/33/66/137143366.db2.gz OWXVTQBRXLKFPK-SNVBAGLBSA-N 2 2 254.359 0.176 20 0 CCADLP NC(=O)[C@H]1CSCC[N@H+]1CCCn1cc[nH+]c1 ZINC000343584456 137143367 /nfs/dbraw/zinc/14/33/67/137143367.db2.gz OWXVTQBRXLKFPK-SNVBAGLBSA-N 2 2 254.359 0.176 20 0 CCADLP C[C@@H](C(=O)N(C)CCC[NH+]1CCCC1)[NH+]1CCN(C)CC1 ZINC000343747342 137154177 /nfs/dbraw/zinc/15/41/77/137154177.db2.gz JRMCDNPMPUKVTG-HNNXBMFYSA-N 2 2 296.459 0.567 20 0 CCADLP C[C@@H](C(=O)N(CC[NH3+])Cc1ccccc1)[NH+]1CCOCC1 ZINC000343794906 137158057 /nfs/dbraw/zinc/15/80/57/137158057.db2.gz SLNVLMZGPYQKNA-AWEZNQCLSA-N 2 2 291.395 0.695 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NC[C@H]2CN(C)CC[NH+]2C)CCC[N@@H+]1C ZINC000343841279 137161085 /nfs/dbraw/zinc/16/10/85/137161085.db2.gz REVSMLLPWFZRFN-RDBSUJKOSA-N 2 2 297.447 0.014 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NC[C@H]2CN(C)CC[NH+]2C)CCC[N@H+]1C ZINC000343841279 137161086 /nfs/dbraw/zinc/16/10/86/137161086.db2.gz REVSMLLPWFZRFN-RDBSUJKOSA-N 2 2 297.447 0.014 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)CCC[NH+]1C ZINC000343841279 137161087 /nfs/dbraw/zinc/16/10/87/137161087.db2.gz REVSMLLPWFZRFN-RDBSUJKOSA-N 2 2 297.447 0.014 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)CCC[NH+]1C ZINC000343841279 137161088 /nfs/dbraw/zinc/16/10/88/137161088.db2.gz REVSMLLPWFZRFN-RDBSUJKOSA-N 2 2 297.447 0.014 20 0 CCADLP CN(CCC[N@H+](C)Cc1cn(C)nn1)CC[NH+](C)C ZINC000344041476 137174975 /nfs/dbraw/zinc/17/49/75/137174975.db2.gz VWJVJAXDWYNAGD-UHFFFAOYSA-N 2 2 268.409 0.130 20 0 CCADLP CN(CCC[N@@H+](C)Cc1cn(C)nn1)CC[NH+](C)C ZINC000344041476 137174976 /nfs/dbraw/zinc/17/49/76/137174976.db2.gz VWJVJAXDWYNAGD-UHFFFAOYSA-N 2 2 268.409 0.130 20 0 CCADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccnc(N(C)C)n1 ZINC000344327420 137188782 /nfs/dbraw/zinc/18/87/82/137188782.db2.gz LUMGGVRKUJDTDK-WCQYABFASA-N 2 2 263.389 0.972 20 0 CCADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccnc(N(C)C)n1 ZINC000344327420 137188783 /nfs/dbraw/zinc/18/87/83/137188783.db2.gz LUMGGVRKUJDTDK-WCQYABFASA-N 2 2 263.389 0.972 20 0 CCADLP O=C([C@@H]1CCCC[NH2+]1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000000131107 347940033 /nfs/dbraw/zinc/94/00/33/347940033.db2.gz SHVTUGFWWFPRNZ-HNNXBMFYSA-N 2 2 288.395 0.868 20 0 CCADLP Cc1[nH+]ccn1CCCCNC(=O)[C@@H]1[NH2+]CCO[C@@H]1C ZINC000344419058 137193708 /nfs/dbraw/zinc/19/37/08/137193708.db2.gz NHYODOHDOZFATN-DGCLKSJQSA-N 2 2 280.372 0.465 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C1([NH3+])CCCCC1 ZINC000037008694 348178855 /nfs/dbraw/zinc/17/88/55/348178855.db2.gz YMNCMFFAONHHFB-GFCCVEGCSA-N 2 2 269.389 0.485 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000037621829 348193732 /nfs/dbraw/zinc/19/37/32/348193732.db2.gz IIKIEBFRBZWQHC-DGCLKSJQSA-N 2 2 257.378 0.341 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000037800352 348205172 /nfs/dbraw/zinc/20/51/72/348205172.db2.gz BWGNMGOXBDBIBQ-CQSZACIVSA-N 2 2 276.384 0.709 20 0 CCADLP CCC[C@@H]([NH3+])C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000040770582 348241981 /nfs/dbraw/zinc/24/19/81/348241981.db2.gz WLSAEIANPNACEU-ZIAGYGMSSA-N 2 2 284.448 0.502 20 0 CCADLP CC[C@@H](C(=O)N=c1ccn(CC[NH+](C)C)[nH]1)[NH+](CC)CC ZINC000346019705 137264767 /nfs/dbraw/zinc/26/47/67/137264767.db2.gz WDXHICAWSRQYQW-ZDUSSCGKSA-N 2 2 295.431 0.926 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]([NH3+])CC(F)F)C[C@H]1[NH+]1CCOCC1 ZINC000345823170 137254469 /nfs/dbraw/zinc/25/44/69/137254469.db2.gz UUEZTDLKTUFZDA-GMTAPVOTSA-N 2 2 291.342 0.148 20 0 CCADLP C[C@H](C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)[NH+]1CCOCC1 ZINC000346333203 137279563 /nfs/dbraw/zinc/27/95/63/137279563.db2.gz WWAUCXVKEHUXNY-UKRRQHHQSA-N 2 2 281.400 0.261 20 0 CCADLP C[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)[NH+]1CCOCC1 ZINC000346333203 137279564 /nfs/dbraw/zinc/27/95/64/137279564.db2.gz WWAUCXVKEHUXNY-UKRRQHHQSA-N 2 2 281.400 0.261 20 0 CCADLP C[NH2+]CCC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000043604820 348311783 /nfs/dbraw/zinc/31/17/83/348311783.db2.gz YLNNYWAQFXUERQ-UHFFFAOYSA-N 2 2 262.357 0.335 20 0 CCADLP O=C(NCCn1cc[nH+]c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000339443961 215175918 /nfs/dbraw/zinc/17/59/18/215175918.db2.gz CYTYREPGCTUHTF-LLVKDONJSA-N 2 2 263.345 0.419 20 0 CCADLP O=C(NCCn1cc[nH+]c1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000339443961 215175920 /nfs/dbraw/zinc/17/59/20/215175920.db2.gz CYTYREPGCTUHTF-LLVKDONJSA-N 2 2 263.345 0.419 20 0 CCADLP CC(C)NC(=O)CN1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346833476 137307157 /nfs/dbraw/zinc/30/71/57/137307157.db2.gz RNHZZQCGZXTQPG-AWEZNQCLSA-N 2 2 282.432 0.128 20 0 CCADLP CC(C)NC(=O)C[NH+]1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000346833476 137307158 /nfs/dbraw/zinc/30/71/58/137307158.db2.gz RNHZZQCGZXTQPG-AWEZNQCLSA-N 2 2 282.432 0.128 20 0 CCADLP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(C)C)[nH]2)CC[C@@H]1[NH3+] ZINC000347147843 137322645 /nfs/dbraw/zinc/32/26/45/137322645.db2.gz YRDDHKNQYKHQST-PWSUYJOCSA-N 2 2 264.373 0.886 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(C)C)[nH]2)CC[C@@H]1[NH3+] ZINC000347147843 137322646 /nfs/dbraw/zinc/32/26/46/137322646.db2.gz YRDDHKNQYKHQST-PWSUYJOCSA-N 2 2 264.373 0.886 20 0 CCADLP CCOC[C@@H](O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347212617 137325687 /nfs/dbraw/zinc/32/56/87/137325687.db2.gz RDJMMRXBKOPZFN-GXTWGEPZSA-N 2 2 266.341 0.932 20 0 CCADLP CCOC[C@@H](O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347212617 137325688 /nfs/dbraw/zinc/32/56/88/137325688.db2.gz RDJMMRXBKOPZFN-GXTWGEPZSA-N 2 2 266.341 0.932 20 0 CCADLP CC(C)[NH2+]C1(CO)CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000573812747 334968409 /nfs/dbraw/zinc/96/84/09/334968409.db2.gz DIMQUYJFSKUHSL-UHFFFAOYSA-N 2 2 252.362 0.735 20 0 CCADLP COc1cc([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)ccn1 ZINC000347533685 137341735 /nfs/dbraw/zinc/34/17/35/137341735.db2.gz FHTHNFSNHLDSGD-LBPRGKRZSA-N 2 2 292.383 0.515 20 0 CCADLP O[C@@H](C[NH2+]CCn1cc[nH+]c1)COCc1ccco1 ZINC000049077193 348439823 /nfs/dbraw/zinc/43/98/23/348439823.db2.gz LBFSICLZGYSENT-LBPRGKRZSA-N 2 2 265.313 0.643 20 0 CCADLP CC(=O)N1CC[C@@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000120577203 349994016 /nfs/dbraw/zinc/99/40/16/349994016.db2.gz BZSUFEFWTROTHN-CYZMBNFOSA-N 2 2 251.374 0.822 20 0 CCADLP CC(=O)N1CC[C@@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000120577203 349994019 /nfs/dbraw/zinc/99/40/19/349994019.db2.gz BZSUFEFWTROTHN-CYZMBNFOSA-N 2 2 251.374 0.822 20 0 CCADLP C[C@@H](C[NH3+])C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000054344844 348553600 /nfs/dbraw/zinc/55/36/00/348553600.db2.gz VFSRWYIHNHZPEN-NSHDSACASA-N 2 2 278.356 0.129 20 0 CCADLP C[C@@]1(C(=O)N2CC[NH+](Cc3cccnc3)CC2)CC[NH2+]C1 ZINC000062895932 348672344 /nfs/dbraw/zinc/67/23/44/348672344.db2.gz NQWSNMJATKXUQO-MRXNPFEDSA-N 2 2 288.395 0.725 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC000062857629 348670816 /nfs/dbraw/zinc/67/08/16/348670816.db2.gz YCZMFIXUUCHDTC-CYBMUJFWSA-N 2 2 250.346 0.768 20 0 CCADLP O=C1CN(CCC[NH2+]Cc2cccc3[nH+]ccn32)CCN1 ZINC000573815367 334968765 /nfs/dbraw/zinc/96/87/65/334968765.db2.gz PMNVPYZCFNFZNB-UHFFFAOYSA-N 2 2 287.367 0.246 20 0 CCADLP [NH3+]CCc1ccccc1C(=O)NCCn1cc[nH+]c1 ZINC000070542080 348891968 /nfs/dbraw/zinc/89/19/68/348891968.db2.gz BAJKWYCTMKHVRL-UHFFFAOYSA-N 2 2 258.325 0.814 20 0 CCADLP OCCCC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069804216 348861692 /nfs/dbraw/zinc/86/16/92/348861692.db2.gz AXEGXCWCNPGDIE-CQSZACIVSA-N 2 2 256.390 0.803 20 0 CCADLP OCCCC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069804216 348861697 /nfs/dbraw/zinc/86/16/97/348861697.db2.gz AXEGXCWCNPGDIE-CQSZACIVSA-N 2 2 256.390 0.803 20 0 CCADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)Cn2cc[nH+]c2)C[C@H](C)O1 ZINC000078656023 349148065 /nfs/dbraw/zinc/14/80/65/349148065.db2.gz SUZUXOVVCBICCR-STQMWFEESA-N 2 2 294.399 0.887 20 0 CCADLP c1c[nH+]c([C@H]2CCC[N@@H+](CCN3CCOCC3)C2)[nH]1 ZINC000080959239 349234614 /nfs/dbraw/zinc/23/46/14/349234614.db2.gz JHXHTSIKSYZAMS-ZDUSSCGKSA-N 2 2 264.373 0.921 20 0 CCADLP c1c[nH+]c([C@H]2CCC[N@H+](CCN3CCOCC3)C2)[nH]1 ZINC000080959239 349234617 /nfs/dbraw/zinc/23/46/17/349234617.db2.gz JHXHTSIKSYZAMS-ZDUSSCGKSA-N 2 2 264.373 0.921 20 0 CCADLP O[C@@H](CN1CCC[C@H]([NH+]2CCCC2)C1)C[NH+]1CCOCC1 ZINC000079882346 349192948 /nfs/dbraw/zinc/19/29/48/349192948.db2.gz FBTVLKZSUMMTHE-JKSUJKDBSA-N 2 2 297.443 0.240 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000081902390 349287602 /nfs/dbraw/zinc/28/76/02/349287602.db2.gz HKRXQMYUWLUKNK-YEJSDXFRSA-N 2 2 260.403 0.634 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000081902390 349287603 /nfs/dbraw/zinc/28/76/03/349287603.db2.gz HKRXQMYUWLUKNK-YEJSDXFRSA-N 2 2 260.403 0.634 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](CCc2ccc3c(c2)CCO3)CCO1 ZINC000088100721 349356339 /nfs/dbraw/zinc/35/63/39/349356339.db2.gz JQVIUAGAXXUDGW-AWEZNQCLSA-N 2 2 262.353 0.824 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)CCO1 ZINC000088100721 349356342 /nfs/dbraw/zinc/35/63/42/349356342.db2.gz JQVIUAGAXXUDGW-AWEZNQCLSA-N 2 2 262.353 0.824 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CCS(=O)(=O)C1 ZINC000120835584 350008317 /nfs/dbraw/zinc/00/83/17/350008317.db2.gz WGWVAUOOFOIBGU-NSHDSACASA-N 2 2 257.359 0.392 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCS(=O)(=O)C1 ZINC000120835584 350008318 /nfs/dbraw/zinc/00/83/18/350008318.db2.gz WGWVAUOOFOIBGU-NSHDSACASA-N 2 2 257.359 0.392 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000121125814 350023056 /nfs/dbraw/zinc/02/30/56/350023056.db2.gz CSMCYKSOJORZRR-UONOGXRCSA-N 2 2 291.351 0.392 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000121125814 350023061 /nfs/dbraw/zinc/02/30/61/350023061.db2.gz CSMCYKSOJORZRR-UONOGXRCSA-N 2 2 291.351 0.392 20 0 CCADLP CC(C)[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)CCS1 ZINC000121160303 350025172 /nfs/dbraw/zinc/02/51/72/350025172.db2.gz NHAUVRRYIDUSFE-ZDUSSCGKSA-N 2 2 285.457 0.834 20 0 CCADLP CC(C)[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CCS1 ZINC000121160303 350025173 /nfs/dbraw/zinc/02/51/73/350025173.db2.gz NHAUVRRYIDUSFE-ZDUSSCGKSA-N 2 2 285.457 0.834 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCc2ccco2)[C@H](C[NH3+])C1 ZINC000122589124 350067119 /nfs/dbraw/zinc/06/71/19/350067119.db2.gz FNKJQWWMNANVMH-LLVKDONJSA-N 2 2 251.330 0.314 20 0 CCADLP C[N@H+]1CCN(C(=O)CCc2ccco2)[C@H](C[NH3+])C1 ZINC000122589124 350067122 /nfs/dbraw/zinc/06/71/22/350067122.db2.gz FNKJQWWMNANVMH-LLVKDONJSA-N 2 2 251.330 0.314 20 0 CCADLP CC[NH+]1CCN(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000123812004 350083114 /nfs/dbraw/zinc/08/31/14/350083114.db2.gz BVOZXSMHLNAJBH-UHFFFAOYSA-N 2 2 284.404 0.056 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000122868330 350070262 /nfs/dbraw/zinc/07/02/62/350070262.db2.gz VVFIQVKRKOMRFD-VXGBXAGGSA-N 2 2 284.404 0.672 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000122868330 350070264 /nfs/dbraw/zinc/07/02/64/350070264.db2.gz VVFIQVKRKOMRFD-VXGBXAGGSA-N 2 2 284.404 0.672 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000124629289 350103195 /nfs/dbraw/zinc/10/31/95/350103195.db2.gz NQNOFTFITDSVKZ-WDEREUQCSA-N 2 2 270.377 0.280 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000124629289 350103198 /nfs/dbraw/zinc/10/31/98/350103198.db2.gz NQNOFTFITDSVKZ-WDEREUQCSA-N 2 2 270.377 0.280 20 0 CCADLP Cc1n[nH]cc1C[NH2+][C@H](C)CC[NH+]1CCOCC1 ZINC000124289023 350094580 /nfs/dbraw/zinc/09/45/80/350094580.db2.gz SYUOOIRKPYTKBB-LLVKDONJSA-N 2 2 252.362 0.919 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)NC(=O)NC(C)(C)C ZINC000128418674 350192485 /nfs/dbraw/zinc/19/24/85/350192485.db2.gz GVZOCRJVVIMIEP-LLVKDONJSA-N 2 2 286.420 0.916 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)NC(=O)NC(C)(C)C ZINC000128418674 350192491 /nfs/dbraw/zinc/19/24/91/350192491.db2.gz GVZOCRJVVIMIEP-LLVKDONJSA-N 2 2 286.420 0.916 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000128503451 350193938 /nfs/dbraw/zinc/19/39/38/350193938.db2.gz ICTTZWTVNGVENE-LBPRGKRZSA-N 2 2 286.420 0.918 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000128503451 350193940 /nfs/dbraw/zinc/19/39/40/350193940.db2.gz ICTTZWTVNGVENE-LBPRGKRZSA-N 2 2 286.420 0.918 20 0 CCADLP C[NH+](C)[C@H]1CCCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000105063623 186039625 /nfs/dbraw/zinc/03/96/25/186039625.db2.gz MGLNOCNLVMPMQV-LBPRGKRZSA-N 2 2 265.361 0.619 20 0 CCADLP CN(C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000129011322 350203607 /nfs/dbraw/zinc/20/36/07/350203607.db2.gz GRZLRYLNXQMAKC-PBWFPOADSA-N 2 2 280.416 0.911 20 0 CCADLP CN(C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000129011322 350203609 /nfs/dbraw/zinc/20/36/09/350203609.db2.gz GRZLRYLNXQMAKC-PBWFPOADSA-N 2 2 280.416 0.911 20 0 CCADLP Cn1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cn1 ZINC000129166405 350207456 /nfs/dbraw/zinc/20/74/56/350207456.db2.gz KOEITYTZXYDHDB-ZDUSSCGKSA-N 2 2 264.373 0.574 20 0 CCADLP Cn1cc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cn1 ZINC000129166405 350207458 /nfs/dbraw/zinc/20/74/58/350207458.db2.gz KOEITYTZXYDHDB-ZDUSSCGKSA-N 2 2 264.373 0.574 20 0 CCADLP C[NH+](C)[C@@H]1CCCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000105063619 186039067 /nfs/dbraw/zinc/03/90/67/186039067.db2.gz MGLNOCNLVMPMQV-GFCCVEGCSA-N 2 2 265.361 0.619 20 0 CCADLP CSCC[C@@H]([NH3+])C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000130792657 350248369 /nfs/dbraw/zinc/24/83/69/350248369.db2.gz DGRPQLDCJSENCP-GFCCVEGCSA-N 2 2 294.424 0.811 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](Cc2ccncc2)CC1 ZINC000131341968 350272929 /nfs/dbraw/zinc/27/29/29/350272929.db2.gz NFRRYFZYJGUYIR-OAHLLOKOSA-N 2 2 288.395 0.996 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](Cc2ccncc2)CC1 ZINC000131341968 350272932 /nfs/dbraw/zinc/27/29/32/350272932.db2.gz NFRRYFZYJGUYIR-OAHLLOKOSA-N 2 2 288.395 0.996 20 0 CCADLP CCOC[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000131572384 350278852 /nfs/dbraw/zinc/27/88/52/350278852.db2.gz WCXRJUHMWJRPAK-ZIAGYGMSSA-N 2 2 272.389 0.038 20 0 CCADLP CCOC[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000131572384 350278855 /nfs/dbraw/zinc/27/88/55/350278855.db2.gz WCXRJUHMWJRPAK-ZIAGYGMSSA-N 2 2 272.389 0.038 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCc2cccnc2)[C@@H](C[NH3+])C1 ZINC000132840852 350318269 /nfs/dbraw/zinc/31/82/69/350318269.db2.gz IUSQOSWEBSPHGO-ZDUSSCGKSA-N 2 2 262.357 0.116 20 0 CCADLP C[N@H+]1CCN(C(=O)CCc2cccnc2)[C@@H](C[NH3+])C1 ZINC000132840852 350318271 /nfs/dbraw/zinc/31/82/71/350318271.db2.gz IUSQOSWEBSPHGO-ZDUSSCGKSA-N 2 2 262.357 0.116 20 0 CCADLP CC[C@]1(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)CCC[NH2+]1 ZINC000134617513 350370541 /nfs/dbraw/zinc/37/05/41/350370541.db2.gz KIOOLGQDKNPDCI-SQWLQELKSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@]1(C(=O)N2CC[NH+](C3CC3)CC2)CCCC[NH2+]1 ZINC000136199180 350417402 /nfs/dbraw/zinc/41/74/02/350417402.db2.gz YMKJNZRSKIVYGE-AWEZNQCLSA-N 2 2 251.374 0.825 20 0 CCADLP CNC(=O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915929 186090062 /nfs/dbraw/zinc/09/00/62/186090062.db2.gz MJWKPSVIVRHPTB-UHFFFAOYSA-N 2 2 279.388 0.025 20 0 CCADLP CNC(=O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915929 186090063 /nfs/dbraw/zinc/09/00/63/186090063.db2.gz MJWKPSVIVRHPTB-UHFFFAOYSA-N 2 2 279.388 0.025 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000145486315 350464823 /nfs/dbraw/zinc/46/48/23/350464823.db2.gz QEQLNUHRZOMBPV-UTUOFQBUSA-N 2 2 257.378 0.197 20 0 CCADLP CC(C)[C@H](C(=O)NCCCn1cc[nH+]c1)[NH+](C)C ZINC000106454237 186119124 /nfs/dbraw/zinc/11/91/24/186119124.db2.gz PLBJWOKQNKJBQM-GFCCVEGCSA-N 2 2 252.362 0.976 20 0 CCADLP COC(=O)C[C@H]1C[N@H+](CCCn2cc[nH+]c2)CCO1 ZINC000152034842 350517087 /nfs/dbraw/zinc/51/70/87/350517087.db2.gz IYYJHJYDGDXSAT-LBPRGKRZSA-N 2 2 267.329 0.537 20 0 CCADLP COC(=O)C[C@H]1C[N@@H+](CCCn2cc[nH+]c2)CCO1 ZINC000152034842 350517093 /nfs/dbraw/zinc/51/70/93/350517093.db2.gz IYYJHJYDGDXSAT-LBPRGKRZSA-N 2 2 267.329 0.537 20 0 CCADLP CC(C)[NH2+]C1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000108368137 186214130 /nfs/dbraw/zinc/21/41/30/186214130.db2.gz KCCQLHZLJKOXIL-UHFFFAOYSA-N 2 2 267.373 0.598 20 0 CCADLP CC(C)[NH2+]C1CC[NH+](CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000108370070 186214452 /nfs/dbraw/zinc/21/44/52/186214452.db2.gz REEXNVJQAZMWTL-UHFFFAOYSA-N 2 2 296.415 0.779 20 0 CCADLP C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000109849291 186276420 /nfs/dbraw/zinc/27/64/20/186276420.db2.gz JPIREIXKSXCNSZ-LBPRGKRZSA-N 2 2 285.351 0.949 20 0 CCADLP C[N@H+]1CC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000109849291 186276422 /nfs/dbraw/zinc/27/64/22/186276422.db2.gz JPIREIXKSXCNSZ-LBPRGKRZSA-N 2 2 285.351 0.949 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C)C(=O)OC ZINC000156183125 350626990 /nfs/dbraw/zinc/62/69/90/350626990.db2.gz HXQFHVQLCGHIKJ-MNXVOIDGSA-N 2 2 299.415 0.502 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C)C(=O)OC ZINC000156183125 350626995 /nfs/dbraw/zinc/62/69/95/350626995.db2.gz HXQFHVQLCGHIKJ-MNXVOIDGSA-N 2 2 299.415 0.502 20 0 CCADLP Cc1cc(NC(=O)C[NH+]2CCC([C@H](C)[NH3+])CC2)no1 ZINC000110650350 186310896 /nfs/dbraw/zinc/31/08/96/186310896.db2.gz AXTYXSBZFGXGHD-JTQLQIEISA-N 2 2 266.345 0.981 20 0 CCADLP O=C(NCCCNc1cccc[nH+]1)[C@@]1(F)CC[NH2+]C1 ZINC000165243634 350788482 /nfs/dbraw/zinc/78/84/82/350788482.db2.gz FXUXCNZGYMNBLR-CYBMUJFWSA-N 2 2 266.320 0.701 20 0 CCADLP CNC(=O)CC[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000166101152 350796964 /nfs/dbraw/zinc/79/69/64/350796964.db2.gz NEVHBQVQDRETHG-UHFFFAOYSA-N 2 2 262.357 0.648 20 0 CCADLP C[C@@H](NC(=O)c1ccc(C[NH3+])cc1)[C@H](C)[NH+]1CCOCC1 ZINC000167690704 350813598 /nfs/dbraw/zinc/81/35/98/350813598.db2.gz ZWFXNKPYJCBWHM-OLZOCXBDSA-N 2 2 291.395 0.984 20 0 CCADLP COCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172750874 351008689 /nfs/dbraw/zinc/00/86/89/351008689.db2.gz NJBDQLCYFAAEHC-UHFFFAOYSA-N 2 2 283.416 0.699 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)NCCCCNc2cccc[nH+]2)C1 ZINC000172777599 351009532 /nfs/dbraw/zinc/00/95/32/351009532.db2.gz CTESWKWZJADYMO-CYBMUJFWSA-N 2 2 292.383 0.721 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)NCCCCNc2cccc[nH+]2)C1 ZINC000172777599 351009535 /nfs/dbraw/zinc/00/95/35/351009535.db2.gz CTESWKWZJADYMO-CYBMUJFWSA-N 2 2 292.383 0.721 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)NCCCCNc2cccc[nH+]2)C1 ZINC000172777588 351009642 /nfs/dbraw/zinc/00/96/42/351009642.db2.gz CTESWKWZJADYMO-ZDUSSCGKSA-N 2 2 292.383 0.721 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)NCCCCNc2cccc[nH+]2)C1 ZINC000172777588 351009643 /nfs/dbraw/zinc/00/96/43/351009643.db2.gz CTESWKWZJADYMO-ZDUSSCGKSA-N 2 2 292.383 0.721 20 0 CCADLP Cc1nc(N2CC[NH+](CCn3cccn3)CC2)cc[nH+]1 ZINC000174731820 351101085 /nfs/dbraw/zinc/10/10/85/351101085.db2.gz GOCHZVMHVUTLAR-UHFFFAOYSA-N 2 2 272.356 0.804 20 0 CCADLP Cc1nc(N2CC[NH+](C[C@H]3CCOC3)CC2)cc[nH+]1 ZINC000176951258 351190077 /nfs/dbraw/zinc/19/00/77/351190077.db2.gz URJFTQGVEUKYOX-CYBMUJFWSA-N 2 2 262.357 0.944 20 0 CCADLP Cc1cc(N2CCC(NC(=O)C[NH+](C)C)CC2)nc(C)[nH+]1 ZINC000175470786 351131374 /nfs/dbraw/zinc/13/13/74/351131374.db2.gz OGPPUXMUFZLHDL-UHFFFAOYSA-N 2 2 291.399 0.740 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)COCC2CC2)CC1 ZINC000177132945 351194924 /nfs/dbraw/zinc/19/49/24/351194924.db2.gz WKZUZDUBHNOMJX-UHFFFAOYSA-N 2 2 283.416 0.555 20 0 CCADLP CC(C)([NH3+])CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000178722859 351242554 /nfs/dbraw/zinc/24/25/54/351242554.db2.gz RNKFTWTZYUGDTN-GFCCVEGCSA-N 2 2 269.389 0.437 20 0 CCADLP O=C([C@@H]1CSC[NH2+]1)N1CC[NH+]([C@H]2C[C@@H]3CC[C@H]2C3)CC1 ZINC000178828031 351247768 /nfs/dbraw/zinc/24/77/68/351247768.db2.gz CERWQJGMZBJMGK-RFGFWPKPSA-N 2 2 295.452 0.982 20 0 CCADLP C[C@@H]1CN(C(=O)[C@]2(C)CCCC[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000181012950 351299258 /nfs/dbraw/zinc/29/92/58/351299258.db2.gz LCWLAKVHYABLRV-FMKPAKJESA-N 2 2 295.427 0.698 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3c[nH]cn3)C2)CC1 ZINC000179475531 351268040 /nfs/dbraw/zinc/26/80/40/351268040.db2.gz GDSABZCGMRZZMF-AWEZNQCLSA-N 2 2 263.389 0.622 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3c[nH]cn3)C2)CC1 ZINC000179475531 351268046 /nfs/dbraw/zinc/26/80/46/351268046.db2.gz GDSABZCGMRZZMF-AWEZNQCLSA-N 2 2 263.389 0.622 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cnc[nH]3)C2)CC1 ZINC000179475531 351268049 /nfs/dbraw/zinc/26/80/49/351268049.db2.gz GDSABZCGMRZZMF-AWEZNQCLSA-N 2 2 263.389 0.622 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnc[nH]3)C2)CC1 ZINC000179475531 351268053 /nfs/dbraw/zinc/26/80/53/351268053.db2.gz GDSABZCGMRZZMF-AWEZNQCLSA-N 2 2 263.389 0.622 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](CNc2cc[nH+]cc2C(N)=O)C1 ZINC000184041333 351400290 /nfs/dbraw/zinc/40/02/90/351400290.db2.gz UXWJITSLIFRZPE-GFCCVEGCSA-N 2 2 292.383 0.949 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](CNc2cc[nH+]cc2C(N)=O)C1 ZINC000184041333 351400293 /nfs/dbraw/zinc/40/02/93/351400293.db2.gz UXWJITSLIFRZPE-GFCCVEGCSA-N 2 2 292.383 0.949 20 0 CCADLP COC[C@@H](O)C[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000182072995 351346280 /nfs/dbraw/zinc/34/62/80/351346280.db2.gz VAKIMCNFASYBMZ-JSGCOSHPSA-N 2 2 272.389 0.179 20 0 CCADLP COC[C@@H](O)C[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000182072995 351346285 /nfs/dbraw/zinc/34/62/85/351346285.db2.gz VAKIMCNFASYBMZ-JSGCOSHPSA-N 2 2 272.389 0.179 20 0 CCADLP CC(C)[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)CCCO1 ZINC000339811010 215346710 /nfs/dbraw/zinc/34/67/10/215346710.db2.gz DWRHKFBFJZURNQ-AWEZNQCLSA-N 2 2 283.416 0.507 20 0 CCADLP CC(C)[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CCCO1 ZINC000339811010 215346713 /nfs/dbraw/zinc/34/67/13/215346713.db2.gz DWRHKFBFJZURNQ-AWEZNQCLSA-N 2 2 283.416 0.507 20 0 CCADLP CSC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000187906981 351563235 /nfs/dbraw/zinc/56/32/35/351563235.db2.gz GTJXTOTZKMXVBU-OLZOCXBDSA-N 2 2 274.430 0.364 20 0 CCADLP CSC[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000187906981 351563236 /nfs/dbraw/zinc/56/32/36/351563236.db2.gz GTJXTOTZKMXVBU-OLZOCXBDSA-N 2 2 274.430 0.364 20 0 CCADLP C[C@H](C(N)=O)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188271854 351584387 /nfs/dbraw/zinc/58/43/87/351584387.db2.gz CALYHJXVGUZTRV-CZUORRHYSA-N 2 2 291.395 0.429 20 0 CCADLP C[C@H](C(N)=O)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188271854 351584390 /nfs/dbraw/zinc/58/43/90/351584390.db2.gz CALYHJXVGUZTRV-CZUORRHYSA-N 2 2 291.395 0.429 20 0 CCADLP C[C@H](C(N)=O)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188271854 351584392 /nfs/dbraw/zinc/58/43/92/351584392.db2.gz CALYHJXVGUZTRV-CZUORRHYSA-N 2 2 291.395 0.429 20 0 CCADLP C[C@H](C(N)=O)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188271854 351584396 /nfs/dbraw/zinc/58/43/96/351584396.db2.gz CALYHJXVGUZTRV-CZUORRHYSA-N 2 2 291.395 0.429 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000192095235 351783689 /nfs/dbraw/zinc/78/36/89/351783689.db2.gz KXOMWAVTXIJQKE-QWRGUYRKSA-N 2 2 273.340 0.867 20 0 CCADLP CC[NH+](CC)[C@H](C)CNC(=O)NCC[NH+]1CCOCC1 ZINC000192905377 351802674 /nfs/dbraw/zinc/80/26/74/351802674.db2.gz CZLIGEDPDQPDSG-CYBMUJFWSA-N 2 2 286.420 0.348 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[NH+](CC(C)(C)O)CC2)CCO1 ZINC000191477191 351760123 /nfs/dbraw/zinc/76/01/23/351760123.db2.gz IWKFSUMHJIXQHC-CQSZACIVSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](CC(C)(C)O)CC2)CCO1 ZINC000191477191 351760125 /nfs/dbraw/zinc/76/01/25/351760125.db2.gz IWKFSUMHJIXQHC-CQSZACIVSA-N 2 2 285.432 0.096 20 0 CCADLP CCS(=O)(=O)NCC[N@H+](C)CCCn1cc[nH+]c1 ZINC000124311394 187131929 /nfs/dbraw/zinc/13/19/29/187131929.db2.gz UPSCRIRNQVQVDR-UHFFFAOYSA-N 2 2 274.390 0.144 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124311394 187131930 /nfs/dbraw/zinc/13/19/30/187131930.db2.gz UPSCRIRNQVQVDR-UHFFFAOYSA-N 2 2 274.390 0.144 20 0 CCADLP CCCn1cc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cn1 ZINC000227288056 352044052 /nfs/dbraw/zinc/04/40/52/352044052.db2.gz ABTRDIXNIWCHQW-CQSZACIVSA-N 2 2 265.405 0.629 20 0 CCADLP CCCn1cc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cn1 ZINC000227288056 352044055 /nfs/dbraw/zinc/04/40/55/352044055.db2.gz ABTRDIXNIWCHQW-CQSZACIVSA-N 2 2 265.405 0.629 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227073040 352037050 /nfs/dbraw/zinc/03/70/50/352037050.db2.gz WPJRFSVILFSGRE-WDEREUQCSA-N 2 2 270.377 0.137 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227073040 352037054 /nfs/dbraw/zinc/03/70/54/352037054.db2.gz WPJRFSVILFSGRE-WDEREUQCSA-N 2 2 270.377 0.137 20 0 CCADLP C[N@H+](CC(=O)NCC(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000231669157 352131315 /nfs/dbraw/zinc/13/13/15/352131315.db2.gz QFQPDCDXIPFMCJ-SECBINFHSA-N 2 2 267.295 0.739 20 0 CCADLP C[N@@H+](CC(=O)NCC(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000231669157 352131320 /nfs/dbraw/zinc/13/13/20/352131320.db2.gz QFQPDCDXIPFMCJ-SECBINFHSA-N 2 2 267.295 0.739 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](CO)Cc1ccccc1 ZINC000229204976 352088999 /nfs/dbraw/zinc/08/89/99/352088999.db2.gz LEHVCJMZQGCFQJ-FVQBIDKESA-N 2 2 278.396 0.947 20 0 CCADLP CSC1(C[NH2+]CC(=O)N2CC[NH+](C)CC2)CCC1 ZINC000235223069 352181044 /nfs/dbraw/zinc/18/10/44/352181044.db2.gz KZLAYHFEPORDAG-UHFFFAOYSA-N 2 2 271.430 0.636 20 0 CCADLP [NH3+]CC1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCCC1 ZINC000655415378 412562763 /nfs/dbraw/zinc/56/27/63/412562763.db2.gz LZJKWAXQHOKRPR-LLVKDONJSA-N 2 2 262.357 0.833 20 0 CCADLP CCN(CC)c1ccc(CNC(=O)[C@@H]2COCC[NH2+]2)c[nH+]1 ZINC000236912360 352227546 /nfs/dbraw/zinc/22/75/46/352227546.db2.gz IFVPUJVATQWJFO-ZDUSSCGKSA-N 2 2 292.383 0.532 20 0 CCADLP COC(=O)c1cnc(C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)cn1 ZINC000603434957 363132323 /nfs/dbraw/zinc/13/23/23/363132323.db2.gz VMEOXKWVUOUISK-QWRGUYRKSA-N 2 2 264.329 0.479 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000603435725 363132484 /nfs/dbraw/zinc/13/24/84/363132484.db2.gz YUJHKABDKKSXPQ-RHYQMDGZSA-N 2 2 284.404 0.668 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000603435725 363132486 /nfs/dbraw/zinc/13/24/86/363132486.db2.gz YUJHKABDKKSXPQ-RHYQMDGZSA-N 2 2 284.404 0.668 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000603435726 363132535 /nfs/dbraw/zinc/13/25/35/363132535.db2.gz YUJHKABDKKSXPQ-USZNOCQGSA-N 2 2 284.404 0.668 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000603435726 363132537 /nfs/dbraw/zinc/13/25/37/363132537.db2.gz YUJHKABDKKSXPQ-USZNOCQGSA-N 2 2 284.404 0.668 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]([NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000237566650 352272052 /nfs/dbraw/zinc/27/20/52/352272052.db2.gz TWTKZQMIIOAHDQ-JSGCOSHPSA-N 2 2 277.368 0.523 20 0 CCADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)C2([NH3+])CC2)CC1 ZINC000237605388 352275208 /nfs/dbraw/zinc/27/52/08/352275208.db2.gz DPMOJPKQFAUULM-UHFFFAOYSA-N 2 2 278.356 0.427 20 0 CCADLP CCNC(=O)C[N@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000603932983 363172372 /nfs/dbraw/zinc/17/23/72/363172372.db2.gz BPKNVDHXQUJQAO-UHFFFAOYSA-N 2 2 298.431 0.043 20 0 CCADLP CCNC(=O)C[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000603932983 363172379 /nfs/dbraw/zinc/17/23/79/363172379.db2.gz BPKNVDHXQUJQAO-UHFFFAOYSA-N 2 2 298.431 0.043 20 0 CCADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1COCC[NH2+]1 ZINC000237718522 352280065 /nfs/dbraw/zinc/28/00/65/352280065.db2.gz XHACSYOHOZQONS-LBPRGKRZSA-N 2 2 290.298 0.938 20 0 CCADLP O=C(NCCc1cn2ccccc2[nH+]1)[C@@H]1CSC[NH2+]1 ZINC000237900233 352288169 /nfs/dbraw/zinc/28/81/69/352288169.db2.gz WOJGTHFMYTXTFD-NSHDSACASA-N 2 2 276.365 0.656 20 0 CCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CCC[NH2+]1 ZINC000238134707 352299606 /nfs/dbraw/zinc/29/96/06/352299606.db2.gz ANQXLEOOQMSFSL-NEPJUHHUSA-N 2 2 260.341 0.529 20 0 CCADLP O=C(C[NH2+]C1CC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000238155245 352300935 /nfs/dbraw/zinc/30/09/35/352300935.db2.gz CIAQMRVRLZEYSC-CYBMUJFWSA-N 2 2 267.373 0.062 20 0 CCADLP O=C(C[NH2+]C1CC1)NCCc1cn2c([nH+]1)CCCC2 ZINC000238165708 352301031 /nfs/dbraw/zinc/30/10/31/352301031.db2.gz OKSIHGBCBCYEGP-UHFFFAOYSA-N 2 2 262.357 0.630 20 0 CCADLP C[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@H]1C ZINC000245537075 352327005 /nfs/dbraw/zinc/32/70/05/352327005.db2.gz MAKKBMOOBCPGNR-OLZOCXBDSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@H]1C ZINC000245537075 352327009 /nfs/dbraw/zinc/32/70/09/352327009.db2.gz MAKKBMOOBCPGNR-OLZOCXBDSA-N 2 2 253.390 0.881 20 0 CCADLP COC[C@@H](O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245564866 352330052 /nfs/dbraw/zinc/33/00/52/352330052.db2.gz OIQCLTBFLJWLGY-RWMBFGLXSA-N 2 2 253.346 0.773 20 0 CCADLP COC[C@@H](O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245564866 352330055 /nfs/dbraw/zinc/33/00/55/352330055.db2.gz OIQCLTBFLJWLGY-RWMBFGLXSA-N 2 2 253.346 0.773 20 0 CCADLP C[N@@H+]1CCN(C(=O)C[C@@H]2OCc3ccccc32)[C@@H](C[NH3+])C1 ZINC000655419022 412564251 /nfs/dbraw/zinc/56/42/51/412564251.db2.gz JMNVPIVTENRTMD-ZFWWWQNUSA-N 2 2 289.379 0.749 20 0 CCADLP C[N@H+]1CCN(C(=O)C[C@@H]2OCc3ccccc32)[C@@H](C[NH3+])C1 ZINC000655419022 412564254 /nfs/dbraw/zinc/56/42/54/412564254.db2.gz JMNVPIVTENRTMD-ZFWWWQNUSA-N 2 2 289.379 0.749 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000246055193 352346664 /nfs/dbraw/zinc/34/66/64/352346664.db2.gz FGYXJUYZFYKBOR-KGLIPLIRSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000246055193 352346665 /nfs/dbraw/zinc/34/66/65/352346665.db2.gz FGYXJUYZFYKBOR-KGLIPLIRSA-N 2 2 281.400 0.404 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246145951 352350067 /nfs/dbraw/zinc/35/00/67/352350067.db2.gz FASQTWQPPSDOOD-STQMWFEESA-N 2 2 296.415 0.638 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246145951 352350069 /nfs/dbraw/zinc/35/00/69/352350069.db2.gz FASQTWQPPSDOOD-STQMWFEESA-N 2 2 296.415 0.638 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246296688 352360034 /nfs/dbraw/zinc/36/00/34/352360034.db2.gz BMYMPYDTFSBNBV-OLZOCXBDSA-N 2 2 271.405 0.411 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246296688 352360037 /nfs/dbraw/zinc/36/00/37/352360037.db2.gz BMYMPYDTFSBNBV-OLZOCXBDSA-N 2 2 271.405 0.411 20 0 CCADLP C[C@@H](C(=O)N1CCC[C@H]1C[NH+]1CCOCC1)[C@H](C)[NH3+] ZINC000248976988 352471258 /nfs/dbraw/zinc/47/12/58/352471258.db2.gz FBCAKYAOYNXGAO-AGIUHOORSA-N 2 2 269.389 0.293 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)[C@@H](C[NH3+])C1 ZINC000250369560 352504476 /nfs/dbraw/zinc/50/44/76/352504476.db2.gz HUWLJCZOFILOBK-WUHRBBMRSA-N 2 2 251.374 0.524 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)[C@@H](C[NH3+])C1 ZINC000250369560 352504481 /nfs/dbraw/zinc/50/44/81/352504481.db2.gz HUWLJCZOFILOBK-WUHRBBMRSA-N 2 2 251.374 0.524 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000251042795 352509134 /nfs/dbraw/zinc/50/91/34/352509134.db2.gz PEXUYLGVSMEANB-GMTAPVOTSA-N 2 2 268.361 0.034 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000251042795 352509137 /nfs/dbraw/zinc/50/91/37/352509137.db2.gz PEXUYLGVSMEANB-GMTAPVOTSA-N 2 2 268.361 0.034 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2C)C1 ZINC000252105601 352513024 /nfs/dbraw/zinc/51/30/24/352513024.db2.gz GYGPOYVTWQNAQJ-OLZOCXBDSA-N 2 2 253.390 0.929 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@H]2C)C1 ZINC000252105601 352513028 /nfs/dbraw/zinc/51/30/28/352513028.db2.gz GYGPOYVTWQNAQJ-OLZOCXBDSA-N 2 2 253.390 0.929 20 0 CCADLP C[C@H](C(=O)NC1CCCC1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453824 352515107 /nfs/dbraw/zinc/51/51/07/352515107.db2.gz WIEFIPMLWLPFAO-WOPDTQHZSA-N 2 2 251.374 0.585 20 0 CCADLP Cc1nc(C)n(C[C@@H]2C[N@H+](C[C@]3(C)CC[NH2+]C3)CCO2)n1 ZINC000262067336 352575791 /nfs/dbraw/zinc/57/57/91/352575791.db2.gz RSARCUJSSGDDTG-LSDHHAIUSA-N 2 2 293.415 0.595 20 0 CCADLP Cc1nc(C)n(C[C@@H]2C[N@@H+](C[C@]3(C)CC[NH2+]C3)CCO2)n1 ZINC000262067336 352575795 /nfs/dbraw/zinc/57/57/95/352575795.db2.gz RSARCUJSSGDDTG-LSDHHAIUSA-N 2 2 293.415 0.595 20 0 CCADLP CCOCC[N@@H+]1CCN(Cc2noc(C[NH3+])n2)C[C@@H]1CC ZINC000262138478 352582158 /nfs/dbraw/zinc/58/21/58/352582158.db2.gz DTRXZUGEFJAWCX-LBPRGKRZSA-N 2 2 297.403 0.461 20 0 CCADLP CCOCC[N@H+]1CCN(Cc2noc(C[NH3+])n2)C[C@@H]1CC ZINC000262138478 352582162 /nfs/dbraw/zinc/58/21/62/352582162.db2.gz DTRXZUGEFJAWCX-LBPRGKRZSA-N 2 2 297.403 0.461 20 0 CCADLP CCC[N@H+](C[C@]1(C)CC[NH2+]C1)[C@@H]1CCS(=O)(=O)C1 ZINC000262144369 352583348 /nfs/dbraw/zinc/58/33/48/352583348.db2.gz ZJVJLHSYDDLKAM-CHWSQXEVSA-N 2 2 274.430 0.885 20 0 CCADLP CCC[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@@H]1CCS(=O)(=O)C1 ZINC000262144369 352583351 /nfs/dbraw/zinc/58/33/51/352583351.db2.gz ZJVJLHSYDDLKAM-CHWSQXEVSA-N 2 2 274.430 0.885 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)N(C)Cc2[nH+]ccn2C)C1 ZINC000271648098 191258791 /nfs/dbraw/zinc/25/87/91/191258791.db2.gz ALBWOKAVSLBDSQ-GFCCVEGCSA-N 2 2 295.387 0.282 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)N(C)Cc2[nH+]ccn2C)C1 ZINC000271648098 191258794 /nfs/dbraw/zinc/25/87/94/191258794.db2.gz ALBWOKAVSLBDSQ-GFCCVEGCSA-N 2 2 295.387 0.282 20 0 CCADLP OCCC[NH+]1CCN(c2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000270328603 352922193 /nfs/dbraw/zinc/92/21/93/352922193.db2.gz WUISSNIPSHWLJH-UHFFFAOYSA-N 2 2 291.399 0.803 20 0 CCADLP Cc1[nH+]ccn1CCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000270632762 352960175 /nfs/dbraw/zinc/96/01/75/352960175.db2.gz LWGBZEXQKBNYJJ-UHFFFAOYSA-N 3 2 293.415 0.287 20 0 CCADLP Cc1[nH+]ccn1CCCN1CCN(C(=O)C[NH+](C)C)CC1 ZINC000270632762 352960179 /nfs/dbraw/zinc/96/01/79/352960179.db2.gz LWGBZEXQKBNYJJ-UHFFFAOYSA-N 2 2 293.415 0.287 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000270918100 353002764 /nfs/dbraw/zinc/00/27/64/353002764.db2.gz URXFAOUXRFXYSB-CHWSQXEVSA-N 2 2 262.357 0.935 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000270918100 353002767 /nfs/dbraw/zinc/00/27/67/353002767.db2.gz URXFAOUXRFXYSB-CHWSQXEVSA-N 2 2 262.357 0.935 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)N(C)Cc2[nH+]ccn2C)CC1 ZINC000272506793 353069588 /nfs/dbraw/zinc/06/95/88/353069588.db2.gz FMNNAGSDECYITR-ZDUSSCGKSA-N 2 2 293.415 0.405 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000152924348 188053024 /nfs/dbraw/zinc/05/30/24/188053024.db2.gz YXQDZJWEDJWUAH-CHWSQXEVSA-N 2 2 290.367 0.107 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000152924348 188053025 /nfs/dbraw/zinc/05/30/25/188053025.db2.gz YXQDZJWEDJWUAH-CHWSQXEVSA-N 2 2 290.367 0.107 20 0 CCADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000274835205 353165973 /nfs/dbraw/zinc/16/59/73/353165973.db2.gz VRBYCXWOXPOJBR-LBPRGKRZSA-N 2 2 288.351 0.531 20 0 CCADLP C[C@@H](C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[C@H](C)[NH3+] ZINC000277024560 353218528 /nfs/dbraw/zinc/21/85/28/353218528.db2.gz HYGKBACQBJTILM-NEPJUHHUSA-N 2 2 295.387 0.137 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655447126 412575842 /nfs/dbraw/zinc/57/58/42/412575842.db2.gz RCGXSLSXDPMNJG-NFAWXSAZSA-N 2 2 281.400 0.213 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655447126 412575849 /nfs/dbraw/zinc/57/58/49/412575849.db2.gz RCGXSLSXDPMNJG-NFAWXSAZSA-N 2 2 281.400 0.213 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000156553003 188269534 /nfs/dbraw/zinc/26/95/34/188269534.db2.gz AFFCKTSPFBBGHU-QWHCGFSZSA-N 2 2 276.384 0.709 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000289839416 353688605 /nfs/dbraw/zinc/68/86/05/353688605.db2.gz FAZQWYXVFDZQPT-NSHDSACASA-N 2 2 262.313 0.233 20 0 CCADLP CO[C@H](C[NH3+])C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000289835798 353688980 /nfs/dbraw/zinc/68/89/80/353688980.db2.gz DWVYRFVNJJXKQM-GFCCVEGCSA-N 2 2 278.356 0.272 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000289868166 353690350 /nfs/dbraw/zinc/69/03/50/353690350.db2.gz DCVWHMGGMCCFOL-NSHDSACASA-N 2 2 262.313 0.233 20 0 CCADLP O=C(Cc1cn2ccccc2[nH+]1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000290043589 353703365 /nfs/dbraw/zinc/70/33/65/353703365.db2.gz GSSJKWRGTDDKHN-OLZOCXBDSA-N 2 2 284.363 0.945 20 0 CCADLP Cn1c[nH+]cc1CC[NH2+][C@](C)(C(N)=O)c1ccccc1 ZINC000290104882 353708477 /nfs/dbraw/zinc/70/84/77/353708477.db2.gz SIKIGUIUPWIEQZ-HNNXBMFYSA-N 2 2 272.352 0.953 20 0 CCADLP C[N@@H+]1CCC[C@H]1CNC(=O)N1CCn2c[nH+]cc2C1 ZINC000291308716 353779116 /nfs/dbraw/zinc/77/91/16/353779116.db2.gz PMPXFHVMFBZMQM-NSHDSACASA-N 2 2 263.345 0.503 20 0 CCADLP C[N@H+]1CCC[C@H]1CNC(=O)N1CCn2c[nH+]cc2C1 ZINC000291308716 353779118 /nfs/dbraw/zinc/77/91/18/353779118.db2.gz PMPXFHVMFBZMQM-NSHDSACASA-N 2 2 263.345 0.503 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000347388833 535247789 /nfs/dbraw/zinc/24/77/89/535247789.db2.gz ZSIABQXMWXIEGQ-UHFFFAOYSA-N 2 2 285.432 0.897 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+](C)C[C@H](O)Cc1ccccc1)C1CC1 ZINC000293504128 353816508 /nfs/dbraw/zinc/81/65/08/353816508.db2.gz ZXRFEWPBWVZBRK-SJORKVTESA-N 2 2 292.423 0.977 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+](C)C[C@H](O)Cc1ccccc1)C1CC1 ZINC000293504128 353816510 /nfs/dbraw/zinc/81/65/10/353816510.db2.gz ZXRFEWPBWVZBRK-SJORKVTESA-N 2 2 292.423 0.977 20 0 CCADLP C[NH+](C[C@H](O)Cc1ccccc1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000293504128 353816512 /nfs/dbraw/zinc/81/65/12/353816512.db2.gz ZXRFEWPBWVZBRK-SJORKVTESA-N 2 2 292.423 0.977 20 0 CCADLP C[NH+](C[C@H](O)Cc1ccccc1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000293504128 353816514 /nfs/dbraw/zinc/81/65/14/353816514.db2.gz ZXRFEWPBWVZBRK-SJORKVTESA-N 2 2 292.423 0.977 20 0 CCADLP COc1nccnc1C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000296081831 353930352 /nfs/dbraw/zinc/93/03/52/353930352.db2.gz QNJWULBBZFEPCR-UHFFFAOYSA-N 2 2 295.431 0.801 20 0 CCADLP COc1nccnc1C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000296081831 353930354 /nfs/dbraw/zinc/93/03/54/353930354.db2.gz QNJWULBBZFEPCR-UHFFFAOYSA-N 2 2 295.431 0.801 20 0 CCADLP CC[NH+](CC)C[C@@H]1CCN(C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000304313259 354112954 /nfs/dbraw/zinc/11/29/54/354112954.db2.gz NBVIFBIOLXMTNH-HOTGVXAUSA-N 2 2 299.459 0.343 20 0 CCADLP Cc1[nH+]ccn1C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000305350749 354144172 /nfs/dbraw/zinc/14/41/72/354144172.db2.gz WEQCHWALZXROBX-NQBHXWOUSA-N 2 2 253.346 0.662 20 0 CCADLP CCOC(=O)CC[N@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000311015314 354196022 /nfs/dbraw/zinc/19/60/22/354196022.db2.gz PXJNZTXEWNGAMU-LBPRGKRZSA-N 2 2 260.378 0.573 20 0 CCADLP CCOC(=O)CC[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C ZINC000311015314 354196024 /nfs/dbraw/zinc/19/60/24/354196024.db2.gz PXJNZTXEWNGAMU-LBPRGKRZSA-N 2 2 260.378 0.573 20 0 CCADLP CCOC(=O)CC[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000311015314 354196027 /nfs/dbraw/zinc/19/60/27/354196027.db2.gz PXJNZTXEWNGAMU-LBPRGKRZSA-N 2 2 260.378 0.573 20 0 CCADLP CCOC(=O)CC[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000311015314 354196029 /nfs/dbraw/zinc/19/60/29/354196029.db2.gz PXJNZTXEWNGAMU-LBPRGKRZSA-N 2 2 260.378 0.573 20 0 CCADLP O[C@H](C[NH2+]C[C@@H](O)C(F)(F)F)C[NH+]1CCCCC1 ZINC000311064319 354196837 /nfs/dbraw/zinc/19/68/37/354196837.db2.gz SZMBFJCFQPJOKT-NXEZZACHSA-N 2 2 270.295 0.346 20 0 CCADLP CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000311432449 354199545 /nfs/dbraw/zinc/19/95/45/354199545.db2.gz DCFWZLSMAFVJQP-MCIONIFRSA-N 2 2 274.405 0.425 20 0 CCADLP CC[C@@H]1CO[C@H](C)C[N@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000311432449 354199548 /nfs/dbraw/zinc/19/95/48/354199548.db2.gz DCFWZLSMAFVJQP-MCIONIFRSA-N 2 2 274.405 0.425 20 0 CCADLP CC[C@@H]1CO[C@H](C)C[NH+]1C[C@@H](O)C[N@H+](C)CCOC ZINC000311432449 354199552 /nfs/dbraw/zinc/19/95/52/354199552.db2.gz DCFWZLSMAFVJQP-MCIONIFRSA-N 2 2 274.405 0.425 20 0 CCADLP CC[C@@H]1CO[C@H](C)C[NH+]1C[C@@H](O)C[N@@H+](C)CCOC ZINC000311432449 354199555 /nfs/dbraw/zinc/19/95/55/354199555.db2.gz DCFWZLSMAFVJQP-MCIONIFRSA-N 2 2 274.405 0.425 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@H]1C ZINC000312070936 354205703 /nfs/dbraw/zinc/20/57/03/354205703.db2.gz NNXIHGBNAIKJJP-KGYLQXTDSA-N 2 2 270.373 0.182 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@H]1C ZINC000312070936 354205707 /nfs/dbraw/zinc/20/57/07/354205707.db2.gz NNXIHGBNAIKJJP-KGYLQXTDSA-N 2 2 270.373 0.182 20 0 CCADLP COC(=O)[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C[C@H]1C ZINC000312070936 354205709 /nfs/dbraw/zinc/20/57/09/354205709.db2.gz NNXIHGBNAIKJJP-KGYLQXTDSA-N 2 2 270.373 0.182 20 0 CCADLP COC(=O)[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C[C@H]1C ZINC000312070936 354205711 /nfs/dbraw/zinc/20/57/11/354205711.db2.gz NNXIHGBNAIKJJP-KGYLQXTDSA-N 2 2 270.373 0.182 20 0 CCADLP C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313341746 354213368 /nfs/dbraw/zinc/21/33/68/354213368.db2.gz FXVHCSWBFVRCEZ-KBPBESRZSA-N 2 2 283.416 0.827 20 0 CCADLP C[C@@H](C(=O)N1CCCCCC1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313341746 354213369 /nfs/dbraw/zinc/21/33/69/354213369.db2.gz FXVHCSWBFVRCEZ-KBPBESRZSA-N 2 2 283.416 0.827 20 0 CCADLP CN(C)c1nc(NCC[N@@H+]2CCOCC2(C)C)cc[nH+]1 ZINC000607144841 363339783 /nfs/dbraw/zinc/33/97/83/363339783.db2.gz VJRPVAJKQIYXDW-UHFFFAOYSA-N 2 2 279.388 0.487 20 0 CCADLP CN(C)c1nc(NCC[N@H+]2CCOCC2(C)C)cc[nH+]1 ZINC000607144841 363339785 /nfs/dbraw/zinc/33/97/85/363339785.db2.gz VJRPVAJKQIYXDW-UHFFFAOYSA-N 2 2 279.388 0.487 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(c2cc[nH+]c(N(C)C)n2)C[C@H]1C ZINC000607145001 363339961 /nfs/dbraw/zinc/33/99/61/363339961.db2.gz NHXPGXISQARVAU-VXGBXAGGSA-N 2 2 279.388 0.434 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(c2cc[nH+]c(N(C)C)n2)C[C@H]1C ZINC000607145001 363339962 /nfs/dbraw/zinc/33/99/62/363339962.db2.gz NHXPGXISQARVAU-VXGBXAGGSA-N 2 2 279.388 0.434 20 0 CCADLP C[C@H]1C[N@H+](CCCc2c[nH+]cn2C)C[C@@H](CO)O1 ZINC000314454925 354222187 /nfs/dbraw/zinc/22/21/87/354222187.db2.gz YJHKGCOTBXXKNU-AAEUAGOBSA-N 2 2 253.346 0.434 20 0 CCADLP C[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)C[C@@H](CO)O1 ZINC000314454925 354222189 /nfs/dbraw/zinc/22/21/89/354222189.db2.gz YJHKGCOTBXXKNU-AAEUAGOBSA-N 2 2 253.346 0.434 20 0 CCADLP CCN1CC[N@H+](CCn2cc[nH+]c2)C[C@H]1c1ncc[nH]1 ZINC000329900484 354270573 /nfs/dbraw/zinc/27/05/73/354270573.db2.gz GFDYGQOERIZYJS-ZDUSSCGKSA-N 2 2 274.372 0.985 20 0 CCADLP CCN1CC[N@@H+](CCn2cc[nH+]c2)C[C@H]1c1ncc[nH]1 ZINC000329900484 354270574 /nfs/dbraw/zinc/27/05/74/354270574.db2.gz GFDYGQOERIZYJS-ZDUSSCGKSA-N 2 2 274.372 0.985 20 0 CCADLP C[N@H+](CCn1cc[nH+]c1)C1CCN(S(C)(=O)=O)CC1 ZINC000330364914 354326129 /nfs/dbraw/zinc/32/61/29/354326129.db2.gz ADAPVJZZKGPTFT-UHFFFAOYSA-N 2 2 286.401 0.239 20 0 CCADLP C[N@@H+](CCn1cc[nH+]c1)C1CCN(S(C)(=O)=O)CC1 ZINC000330364914 354326132 /nfs/dbraw/zinc/32/61/32/354326132.db2.gz ADAPVJZZKGPTFT-UHFFFAOYSA-N 2 2 286.401 0.239 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000345936198 283018096 /nfs/dbraw/zinc/01/80/96/283018096.db2.gz OCTMXDKYDOMXJX-GJZGRUSLSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000345936198 283018097 /nfs/dbraw/zinc/01/80/97/283018097.db2.gz OCTMXDKYDOMXJX-GJZGRUSLSA-N 2 2 295.427 0.794 20 0 CCADLP COc1c(C)cccc1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000655491011 412594272 /nfs/dbraw/zinc/59/42/72/412594272.db2.gz SIGRKUZCWBNQOW-ZDUSSCGKSA-N 2 2 279.384 0.899 20 0 CCADLP C[C@H](C(=O)NCCCn1cc[nH+]c1)N1CC[NH+](C)CC1 ZINC000332566999 354697982 /nfs/dbraw/zinc/69/79/82/354697982.db2.gz USJDMIGTQUZIQH-CYBMUJFWSA-N 2 2 279.388 0.025 20 0 CCADLP Cn1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CNC(=O)C[NH+](C)C)cn1 ZINC000332720476 354728323 /nfs/dbraw/zinc/72/83/23/354728323.db2.gz RCWIXTXLAXYSHJ-STQMWFEESA-N 2 2 297.378 0.010 20 0 CCADLP Cn1cc(C[N@H+]2C[C@@H](F)C[C@H]2CNC(=O)C[NH+](C)C)cn1 ZINC000332720476 354728327 /nfs/dbraw/zinc/72/83/27/354728327.db2.gz RCWIXTXLAXYSHJ-STQMWFEESA-N 2 2 297.378 0.010 20 0 CCADLP Cn1cc([C@@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@H]2[NH3+])cn1 ZINC000333363058 354757427 /nfs/dbraw/zinc/75/74/27/354757427.db2.gz DEVXQXQKQLDQBA-MELADBBJSA-N 2 2 264.373 0.716 20 0 CCADLP Cn1cc([C@@H]2C[N@@H+](CC[C@@H]3CCCO3)C[C@H]2[NH3+])cn1 ZINC000333363058 354757432 /nfs/dbraw/zinc/75/74/32/354757432.db2.gz DEVXQXQKQLDQBA-MELADBBJSA-N 2 2 264.373 0.716 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)N[C@@H]2CCC[NH2+]C2)CCO1 ZINC000333748897 354787768 /nfs/dbraw/zinc/78/77/68/354787768.db2.gz JTDAHMPCAVNMFJ-GFCCVEGCSA-N 2 2 284.404 0.148 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)N[C@@H]2CCC[NH2+]C2)CCO1 ZINC000333748897 354787773 /nfs/dbraw/zinc/78/77/73/354787773.db2.gz JTDAHMPCAVNMFJ-GFCCVEGCSA-N 2 2 284.404 0.148 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000333819695 354800496 /nfs/dbraw/zinc/80/04/96/354800496.db2.gz KRUBYRLZBGZQRX-RDBSUJKOSA-N 2 2 298.431 0.347 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](CCC(=O)N2CCc3ccccc32)C1 ZINC000334491847 354876281 /nfs/dbraw/zinc/87/62/81/354876281.db2.gz GFHDCWMNQDIDEY-CYBMUJFWSA-N 2 2 259.353 0.999 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](CCC(=O)N2CCc3ccccc32)C1 ZINC000334491847 354876284 /nfs/dbraw/zinc/87/62/84/354876284.db2.gz GFHDCWMNQDIDEY-CYBMUJFWSA-N 2 2 259.353 0.999 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000334019675 354834843 /nfs/dbraw/zinc/83/48/43/354834843.db2.gz CILASZJUITVIOU-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000334019675 354834845 /nfs/dbraw/zinc/83/48/45/354834845.db2.gz CILASZJUITVIOU-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH+]1CC[C@@H](NC(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000334019675 354834848 /nfs/dbraw/zinc/83/48/48/354834848.db2.gz CILASZJUITVIOU-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH+]1CC[C@@H](NC(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000334019675 354834851 /nfs/dbraw/zinc/83/48/51/354834851.db2.gz CILASZJUITVIOU-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000423564277 235006871 /nfs/dbraw/zinc/00/68/71/235006871.db2.gz PHPXQSYOMNIBGI-FZMZJTMJSA-N 2 2 285.351 0.995 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)NCc2[nH+]ccn2C)CC[N@@H+]1C ZINC000335164078 354977035 /nfs/dbraw/zinc/97/70/35/354977035.db2.gz XNZIUZLJACWWGZ-LBPRGKRZSA-N 2 2 279.388 0.902 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)NCc2[nH+]ccn2C)CC[N@H+]1C ZINC000335164078 354977036 /nfs/dbraw/zinc/97/70/36/354977036.db2.gz XNZIUZLJACWWGZ-LBPRGKRZSA-N 2 2 279.388 0.902 20 0 CCADLP Cc1ccc([C@H]([NH3+])C(=O)N(C)CC[NH+]2CCOCC2)cc1 ZINC000423753271 235058172 /nfs/dbraw/zinc/05/81/72/235058172.db2.gz XCULAFBTDMSULC-HNNXBMFYSA-N 2 2 291.395 0.785 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C[NH2+]CC2CC2)C[C@H](C)O1 ZINC000423760800 235063068 /nfs/dbraw/zinc/06/30/68/235063068.db2.gz KTKMTQAUAIKURW-BETUJISGSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C[NH2+]CC2CC2)C[C@H](C)O1 ZINC000423760800 235063071 /nfs/dbraw/zinc/06/30/71/235063071.db2.gz KTKMTQAUAIKURW-BETUJISGSA-N 2 2 283.416 0.554 20 0 CCADLP O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)[C@H]1CCCC[NH2+]1 ZINC000423760029 235063303 /nfs/dbraw/zinc/06/33/03/235063303.db2.gz PTVIVGZUUHHFEP-QWHCGFSZSA-N 2 2 267.373 0.108 20 0 CCADLP O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)[C@H]1CCCC[NH2+]1 ZINC000423760029 235063305 /nfs/dbraw/zinc/06/33/05/235063305.db2.gz PTVIVGZUUHHFEP-QWHCGFSZSA-N 2 2 267.373 0.108 20 0 CCADLP COC[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000558414786 291054448 /nfs/dbraw/zinc/05/44/48/291054448.db2.gz WACMTCZLUPMRIZ-AVOUXACISA-N 2 2 297.443 0.942 20 0 CCADLP COC[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000558414786 291054452 /nfs/dbraw/zinc/05/44/52/291054452.db2.gz WACMTCZLUPMRIZ-AVOUXACISA-N 2 2 297.443 0.942 20 0 CCADLP [NH3+][C@@H](C(=O)NCC[N@@H+]1CCCOCC1)c1ccccc1 ZINC000423833569 235092792 /nfs/dbraw/zinc/09/27/92/235092792.db2.gz SZZRBUMOODMZGH-CQSZACIVSA-N 2 2 277.368 0.525 20 0 CCADLP [NH3+][C@@H](C(=O)NCC[N@H+]1CCCOCC1)c1ccccc1 ZINC000423833569 235092795 /nfs/dbraw/zinc/09/27/95/235092795.db2.gz SZZRBUMOODMZGH-CQSZACIVSA-N 2 2 277.368 0.525 20 0 CCADLP C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCC[NH2+]CC1 ZINC000336129467 355099128 /nfs/dbraw/zinc/09/91/28/355099128.db2.gz NZYJULKKDJKLCP-CYBMUJFWSA-N 2 2 253.390 0.929 20 0 CCADLP C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1CCC[NH2+]CC1 ZINC000336129467 355099132 /nfs/dbraw/zinc/09/91/32/355099132.db2.gz NZYJULKKDJKLCP-CYBMUJFWSA-N 2 2 253.390 0.929 20 0 CCADLP C[C@H]1CN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3[NH3+])c[nH+]2)CCO1 ZINC000424127395 235156814 /nfs/dbraw/zinc/15/68/14/235156814.db2.gz CUVUIUCRJHCLHZ-UHTWSYAYSA-N 2 2 290.367 0.270 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(C)n(C)n3)C2)CC1 ZINC000336834259 355207307 /nfs/dbraw/zinc/20/73/07/355207307.db2.gz FUXIGKGTWQRTNJ-MRXNPFEDSA-N 2 2 291.443 0.940 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(C)n(C)n3)C2)CC1 ZINC000336834259 355207308 /nfs/dbraw/zinc/20/73/08/355207308.db2.gz FUXIGKGTWQRTNJ-MRXNPFEDSA-N 2 2 291.443 0.940 20 0 CCADLP C[N@H+](CCN1CCCS1(=O)=O)C[C@@H]1CCC[NH+](C)C1 ZINC000336798190 355170468 /nfs/dbraw/zinc/17/04/68/355170468.db2.gz DBENSDZMSMYGHA-CYBMUJFWSA-N 2 2 289.445 0.296 20 0 CCADLP C[N@@H+](CCN1CCCS1(=O)=O)C[C@@H]1CCC[NH+](C)C1 ZINC000336798190 355170469 /nfs/dbraw/zinc/17/04/69/355170469.db2.gz DBENSDZMSMYGHA-CYBMUJFWSA-N 2 2 289.445 0.296 20 0 CCADLP C[NH+](CCN1CCCS1(=O)=O)C[C@@H]1CCC[N@H+](C)C1 ZINC000336798190 355170471 /nfs/dbraw/zinc/17/04/71/355170471.db2.gz DBENSDZMSMYGHA-CYBMUJFWSA-N 2 2 289.445 0.296 20 0 CCADLP C[NH+](CCN1CCCS1(=O)=O)C[C@@H]1CCC[N@@H+](C)C1 ZINC000336798190 355170473 /nfs/dbraw/zinc/17/04/73/355170473.db2.gz DBENSDZMSMYGHA-CYBMUJFWSA-N 2 2 289.445 0.296 20 0 CCADLP [NH3+]Cc1cc(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)co1 ZINC000424173508 235168550 /nfs/dbraw/zinc/16/85/50/235168550.db2.gz DXAXBNQSBYZHDW-SECBINFHSA-N 2 2 273.283 0.713 20 0 CCADLP CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000336845649 355214520 /nfs/dbraw/zinc/21/45/20/355214520.db2.gz CHMBRJXARNINPV-RRFJBIMHSA-N 2 2 296.459 0.659 20 0 CCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000424181965 235173282 /nfs/dbraw/zinc/17/32/82/235173282.db2.gz SIZVIZRVTFLHTL-STQMWFEESA-N 2 2 292.383 0.190 20 0 CCADLP O=C(Nc1nc(C2CC[NH2+]CC2)cs1)[C@H]1COCC[NH2+]1 ZINC000424189940 235175094 /nfs/dbraw/zinc/17/50/94/235175094.db2.gz FGWTVBWCZUMYLR-SNVBAGLBSA-N 2 2 296.396 0.537 20 0 CCADLP C[N@@H+](Cc1cnn(-c2ccccc2)c1)C[C@H](O)C[NH3+] ZINC000336819085 355192172 /nfs/dbraw/zinc/19/21/72/355192172.db2.gz YDZQSPUUOREIHQ-CQSZACIVSA-N 2 2 260.341 0.624 20 0 CCADLP C[N@H+](Cc1cnn(-c2ccccc2)c1)C[C@H](O)C[NH3+] ZINC000336819085 355192173 /nfs/dbraw/zinc/19/21/73/355192173.db2.gz YDZQSPUUOREIHQ-CQSZACIVSA-N 2 2 260.341 0.624 20 0 CCADLP O=C1CCCN1[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000271793570 191329526 /nfs/dbraw/zinc/32/95/26/191329526.db2.gz ATGGGHHGMSKECZ-CYBMUJFWSA-N 2 2 262.357 0.970 20 0 CCADLP O=C1CCCN1[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000271793570 191329529 /nfs/dbraw/zinc/32/95/29/191329529.db2.gz ATGGGHHGMSKECZ-CYBMUJFWSA-N 2 2 262.357 0.970 20 0 CCADLP Cc1cnn(CC[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000336833006 355205489 /nfs/dbraw/zinc/20/54/89/355205489.db2.gz XPIMYFWFVNGGGW-HNNXBMFYSA-N 2 2 278.400 0.846 20 0 CCADLP Cc1cnn(CC[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000336833006 355205493 /nfs/dbraw/zinc/20/54/93/355205493.db2.gz XPIMYFWFVNGGGW-HNNXBMFYSA-N 2 2 278.400 0.846 20 0 CCADLP C[C@@H]1CN(CCC[NH+]2CCOCC2)C[C@H](C)[N@H+]1C ZINC000336895365 355222195 /nfs/dbraw/zinc/22/21/95/355222195.db2.gz YOUGKMQQYCFOIP-OKILXGFUSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@@H]1CN(CCC[NH+]2CCOCC2)C[C@H](C)[N@@H+]1C ZINC000336895365 355222197 /nfs/dbraw/zinc/22/21/97/355222197.db2.gz YOUGKMQQYCFOIP-OKILXGFUSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@H]1CC2(C[N@@H+]1Cc1noc(C[NH3+])n1)CC[NH2+]CC2 ZINC000424289617 235193956 /nfs/dbraw/zinc/19/39/56/235193956.db2.gz MDEGJTYDWMIRNZ-JTQLQIEISA-N 3 2 265.361 0.492 20 0 CCADLP C[C@H]1CC2(C[N@H+]1Cc1noc(C[NH3+])n1)CC[NH2+]CC2 ZINC000424289617 235193959 /nfs/dbraw/zinc/19/39/59/235193959.db2.gz MDEGJTYDWMIRNZ-JTQLQIEISA-N 3 2 265.361 0.492 20 0 CCADLP C[C@H]1CC2(CN1Cc1noc(C[NH3+])n1)CC[NH2+]CC2 ZINC000424289617 235193961 /nfs/dbraw/zinc/19/39/61/235193961.db2.gz MDEGJTYDWMIRNZ-JTQLQIEISA-N 2 2 265.361 0.492 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337268716 355294096 /nfs/dbraw/zinc/29/40/96/355294096.db2.gz KWCVSEBVIJMSKQ-GFCCVEGCSA-N 2 2 284.404 0.638 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337268716 355294100 /nfs/dbraw/zinc/29/41/00/355294100.db2.gz KWCVSEBVIJMSKQ-GFCCVEGCSA-N 2 2 284.404 0.638 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338309793 355317514 /nfs/dbraw/zinc/31/75/14/355317514.db2.gz WYPRPYIXMIGXMU-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338309793 355317518 /nfs/dbraw/zinc/31/75/18/355317518.db2.gz WYPRPYIXMIGXMU-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000339176829 355500704 /nfs/dbraw/zinc/50/07/04/355500704.db2.gz WUYKUYUZADMXJL-UHFFFAOYSA-N 2 2 296.334 0.994 20 0 CCADLP CO[C@@H](C[NH+]1CCN(c2[nH+]ccn2C)CC1)C1CC1 ZINC000425426859 235294930 /nfs/dbraw/zinc/29/49/30/235294930.db2.gz WZTWDYSUPGGICE-ZDUSSCGKSA-N 2 2 264.373 0.967 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1c[nH+]cn1C ZINC000426484852 235338240 /nfs/dbraw/zinc/33/82/40/235338240.db2.gz UZVQTYGRTKZNQQ-GHMZBOCLSA-N 2 2 250.346 0.909 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000426495667 235339757 /nfs/dbraw/zinc/33/97/57/235339757.db2.gz LMNVJLJSTFOEDT-JSGCOSHPSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000426495667 235339759 /nfs/dbraw/zinc/33/97/59/235339759.db2.gz LMNVJLJSTFOEDT-JSGCOSHPSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000426495667 235339762 /nfs/dbraw/zinc/33/97/62/235339762.db2.gz LMNVJLJSTFOEDT-JSGCOSHPSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000426495667 235339765 /nfs/dbraw/zinc/33/97/65/235339765.db2.gz LMNVJLJSTFOEDT-JSGCOSHPSA-N 2 2 281.400 0.450 20 0 CCADLP Cc1c[nH+]c(CN(C)C2CC[NH+](CCO)CC2)n1C ZINC000342798082 355748520 /nfs/dbraw/zinc/74/85/20/355748520.db2.gz ITGFPNFMLDFIHS-UHFFFAOYSA-N 2 2 266.389 0.617 20 0 CCADLP CN(C(=O)C(C)(C)[NH+]1CCOCC1)[C@H]1CCC[N@H+](C)C1 ZINC000346373245 355870022 /nfs/dbraw/zinc/87/00/22/355870022.db2.gz NRLLVIDBKKPXBG-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP CN(C(=O)C(C)(C)[NH+]1CCOCC1)[C@H]1CCC[N@@H+](C)C1 ZINC000346373245 355870026 /nfs/dbraw/zinc/87/00/26/355870026.db2.gz NRLLVIDBKKPXBG-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCOCC2(CCC2)C1)C1CC1 ZINC000351601423 356003249 /nfs/dbraw/zinc/00/32/49/356003249.db2.gz FWDHJIHGEMINLT-AWEZNQCLSA-N 2 2 268.401 0.944 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCOCC2(CCC2)C1)C1CC1 ZINC000351601423 356003250 /nfs/dbraw/zinc/00/32/50/356003250.db2.gz FWDHJIHGEMINLT-AWEZNQCLSA-N 2 2 268.401 0.944 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCOCC2(CCC2)C1)C1CC1 ZINC000351601423 356003251 /nfs/dbraw/zinc/00/32/51/356003251.db2.gz FWDHJIHGEMINLT-AWEZNQCLSA-N 2 2 268.401 0.944 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCOCC2(CCC2)C1)C1CC1 ZINC000351601423 356003252 /nfs/dbraw/zinc/00/32/52/356003252.db2.gz FWDHJIHGEMINLT-AWEZNQCLSA-N 2 2 268.401 0.944 20 0 CCADLP COC(=O)CCCc1nc(C[NH+]2CCC(C[NH3+])CC2)no1 ZINC000348756181 355972456 /nfs/dbraw/zinc/97/24/56/355972456.db2.gz MTDBOXQUTKZJHI-UHFFFAOYSA-N 2 2 296.371 0.736 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC[N@H+](C)C1CC1 ZINC000352664655 356045419 /nfs/dbraw/zinc/04/54/19/356045419.db2.gz NPDYYVDMGOTDIT-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC[N@@H+](C)C1CC1 ZINC000352664655 356045426 /nfs/dbraw/zinc/04/54/26/356045426.db2.gz NPDYYVDMGOTDIT-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP COCC[C@](C)(O)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000352901793 356106739 /nfs/dbraw/zinc/10/67/39/356106739.db2.gz LVCBNDSBMDDAKO-UBHSHLNASA-N 2 2 256.390 0.846 20 0 CCADLP COCC[C@](C)(O)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000352901793 356106744 /nfs/dbraw/zinc/10/67/44/356106744.db2.gz LVCBNDSBMDDAKO-UBHSHLNASA-N 2 2 256.390 0.846 20 0 CCADLP Cc1cnc(C[N@@H+](C)C2CC[NH+](CCO)CC2)cn1 ZINC000353364660 356209967 /nfs/dbraw/zinc/20/99/67/356209967.db2.gz OIPLMMYOGMPENV-UHFFFAOYSA-N 2 2 264.373 0.674 20 0 CCADLP Cc1cnc(C[N@H+](C)C2CC[NH+](CCO)CC2)cn1 ZINC000353364660 356209970 /nfs/dbraw/zinc/20/99/70/356209970.db2.gz OIPLMMYOGMPENV-UHFFFAOYSA-N 2 2 264.373 0.674 20 0 CCADLP Cn1nccc1C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000353356611 356207850 /nfs/dbraw/zinc/20/78/50/356207850.db2.gz SMBIECMRQZMWPD-UHFFFAOYSA-N 2 2 252.362 0.309 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000353631640 356261888 /nfs/dbraw/zinc/26/18/88/356261888.db2.gz FAXVLWAXXZXLTF-AWEZNQCLSA-N 2 2 269.389 0.167 20 0 CCADLP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC[N@@H+]1C ZINC000360819672 138011789 /nfs/dbraw/zinc/01/17/89/138011789.db2.gz SZBISRWPDUGOSD-VWYCJHECSA-N 2 2 275.343 0.925 20 0 CCADLP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC[N@H+]1C ZINC000360819672 138011790 /nfs/dbraw/zinc/01/17/90/138011790.db2.gz SZBISRWPDUGOSD-VWYCJHECSA-N 2 2 275.343 0.925 20 0 CCADLP [NH3+][C@@H](C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000353669667 356269941 /nfs/dbraw/zinc/26/99/41/356269941.db2.gz WCIWLPXFESTEPR-OAHLLOKOSA-N 2 2 299.378 0.754 20 0 CCADLP COC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)C1CC1 ZINC000361220056 138025611 /nfs/dbraw/zinc/02/56/11/138025611.db2.gz IIMNACTYCAWDRE-STQMWFEESA-N 2 2 269.389 0.341 20 0 CCADLP COC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)C1CC1 ZINC000361220056 138025612 /nfs/dbraw/zinc/02/56/12/138025612.db2.gz IIMNACTYCAWDRE-STQMWFEESA-N 2 2 269.389 0.341 20 0 CCADLP COC[C@@H](CC(C)C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000361219201 138025929 /nfs/dbraw/zinc/02/59/29/138025929.db2.gz BOQNQJSMAHGDJS-KGLIPLIRSA-N 2 2 285.432 0.977 20 0 CCADLP COC[C@@H](CC(C)C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000361219201 138025930 /nfs/dbraw/zinc/02/59/30/138025930.db2.gz BOQNQJSMAHGDJS-KGLIPLIRSA-N 2 2 285.432 0.977 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCC(=O)OC)C[C@@H]1C ZINC000362188596 138050322 /nfs/dbraw/zinc/05/03/22/138050322.db2.gz SHSIKDYLVAUCFF-NWDGAFQWSA-N 2 2 285.388 0.080 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCC(=O)OC)C[C@@H]1C ZINC000362188596 138050323 /nfs/dbraw/zinc/05/03/23/138050323.db2.gz SHSIKDYLVAUCFF-NWDGAFQWSA-N 2 2 285.388 0.080 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCC(=O)OC)C[C@@H]1C ZINC000362188596 138050324 /nfs/dbraw/zinc/05/03/24/138050324.db2.gz SHSIKDYLVAUCFF-NWDGAFQWSA-N 2 2 285.388 0.080 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCC(=O)OC)C[C@@H]1C ZINC000362188596 138050325 /nfs/dbraw/zinc/05/03/25/138050325.db2.gz SHSIKDYLVAUCFF-NWDGAFQWSA-N 2 2 285.388 0.080 20 0 CCADLP CN(CC[N@H+](C)C1CC1)C(=O)c1cc(C[NH+](C)C)on1 ZINC000354041726 356334332 /nfs/dbraw/zinc/33/43/32/356334332.db2.gz KETAQIMEACJJSE-UHFFFAOYSA-N 2 2 280.372 0.902 20 0 CCADLP CN(CC[N@@H+](C)C1CC1)C(=O)c1cc(C[NH+](C)C)on1 ZINC000354041726 356334336 /nfs/dbraw/zinc/33/43/36/356334336.db2.gz KETAQIMEACJJSE-UHFFFAOYSA-N 2 2 280.372 0.902 20 0 CCADLP Cc1cc(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc[nH+]1 ZINC000362618569 138066745 /nfs/dbraw/zinc/06/67/45/138066745.db2.gz YTDVPOPGDDTVGO-ZIAGYGMSSA-N 2 2 290.367 0.797 20 0 CCADLP Cc1cc(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc[nH+]1 ZINC000362618569 138066746 /nfs/dbraw/zinc/06/67/46/138066746.db2.gz YTDVPOPGDDTVGO-ZIAGYGMSSA-N 2 2 290.367 0.797 20 0 CCADLP C[C@H](C(=O)N1CCC[C@H]1C[NH+](C)C)[NH+]1CCOCC1 ZINC000362505180 138062002 /nfs/dbraw/zinc/06/20/02/138062002.db2.gz DYURZKNAULZRII-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000363641535 138093060 /nfs/dbraw/zinc/09/30/60/138093060.db2.gz OYLLHXKQYHEIAV-ZIAGYGMSSA-N 2 2 292.383 0.331 20 0 CCADLP CC(C)[C@@H](O)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354557946 356438744 /nfs/dbraw/zinc/43/87/44/356438744.db2.gz IDPFDCFWILQENG-DZGCQCFKSA-N 2 2 297.443 0.630 20 0 CCADLP CC(C)[C@@H](O)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354557946 356438746 /nfs/dbraw/zinc/43/87/46/356438746.db2.gz IDPFDCFWILQENG-DZGCQCFKSA-N 2 2 297.443 0.630 20 0 CCADLP CC(C)N1CC[C@H]([N@H+](C)C2CC[NH+](CCO)CC2)C1=O ZINC000355961501 356676200 /nfs/dbraw/zinc/67/62/00/356676200.db2.gz VXYMHSSVDSGGBZ-AWEZNQCLSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)N1CC[C@H]([N@@H+](C)C2CC[NH+](CCO)CC2)C1=O ZINC000355961501 356676205 /nfs/dbraw/zinc/67/62/05/356676205.db2.gz VXYMHSSVDSGGBZ-AWEZNQCLSA-N 2 2 283.416 0.384 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000532479538 358512159 /nfs/dbraw/zinc/51/21/59/358512159.db2.gz DJFQELAPLSKYDZ-LBPRGKRZSA-N 2 2 285.388 0.082 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000532479538 358512164 /nfs/dbraw/zinc/51/21/64/358512164.db2.gz DJFQELAPLSKYDZ-LBPRGKRZSA-N 2 2 285.388 0.082 20 0 CCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)C1 ZINC000359451120 356824046 /nfs/dbraw/zinc/82/40/46/356824046.db2.gz XLQCIQQBLFLOFD-HUUCEWRRSA-N 2 2 296.459 0.423 20 0 CCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)C1 ZINC000359451120 356824047 /nfs/dbraw/zinc/82/40/47/356824047.db2.gz XLQCIQQBLFLOFD-HUUCEWRRSA-N 2 2 296.459 0.423 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)no1 ZINC000359508245 356835113 /nfs/dbraw/zinc/83/51/13/356835113.db2.gz CHKWYAKMHILRJT-RISCZKNCSA-N 2 2 292.383 0.902 20 0 CCADLP COC(=O)Cn1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)nn1 ZINC000359728278 356880458 /nfs/dbraw/zinc/88/04/58/356880458.db2.gz KOVFXRANDRPEAC-UHFFFAOYSA-N 2 2 295.387 0.414 20 0 CCADLP CO[C@@H]1CC[NH+](CC2(C[N@H+]3CC[C@H](OC)C3)COC2)C1 ZINC000360016966 356936187 /nfs/dbraw/zinc/93/61/87/356936187.db2.gz POVJHXHEHSCDFY-OKILXGFUSA-N 2 2 284.400 0.444 20 0 CCADLP CO[C@@H]1CC[NH+](CC2(C[N@@H+]3CC[C@H](OC)C3)COC2)C1 ZINC000360016966 356936189 /nfs/dbraw/zinc/93/61/89/356936189.db2.gz POVJHXHEHSCDFY-OKILXGFUSA-N 2 2 284.400 0.444 20 0 CCADLP CO[C@@H]1CC[N@@H+](CC2(C[NH+]3CC[C@H](OC)C3)COC2)C1 ZINC000360016966 356936190 /nfs/dbraw/zinc/93/61/90/356936190.db2.gz POVJHXHEHSCDFY-OKILXGFUSA-N 2 2 284.400 0.444 20 0 CCADLP CO[C@@H]1CC[N@H+](CC2(C[NH+]3CC[C@H](OC)C3)COC2)C1 ZINC000360016966 356936191 /nfs/dbraw/zinc/93/61/91/356936191.db2.gz POVJHXHEHSCDFY-OKILXGFUSA-N 2 2 284.400 0.444 20 0 CCADLP Cc1cccc(NCCNC(=O)[C@H]2CSC[NH2+]2)[nH+]1 ZINC000360176724 356965069 /nfs/dbraw/zinc/96/50/69/356965069.db2.gz XRUBWLBFZRPJPC-SNVBAGLBSA-N 2 2 266.370 0.581 20 0 CCADLP C[C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCC2)[C@@H](C)C[N@@H+]1C ZINC000360545716 357037646 /nfs/dbraw/zinc/03/76/46/357037646.db2.gz HVKSOIXZUSAPIQ-KGLIPLIRSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCC2)[C@@H](C)C[N@H+]1C ZINC000360545716 357037649 /nfs/dbraw/zinc/03/76/49/357037649.db2.gz HVKSOIXZUSAPIQ-KGLIPLIRSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)C[NH+]1CCOCC1 ZINC000361877075 357050786 /nfs/dbraw/zinc/05/07/86/357050786.db2.gz JIRSPVMYVBILSG-RBSFLKMASA-N 3 2 269.433 0.885 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)C[NH+]1CCOCC1 ZINC000361877075 357050787 /nfs/dbraw/zinc/05/07/87/357050787.db2.gz JIRSPVMYVBILSG-RBSFLKMASA-N 3 2 269.433 0.885 20 0 CCADLP COCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365221046 357136410 /nfs/dbraw/zinc/13/64/10/357136410.db2.gz GPZZXYFFQJJARW-CYBMUJFWSA-N 2 2 269.389 0.260 20 0 CCADLP COCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365221046 357136411 /nfs/dbraw/zinc/13/64/11/357136411.db2.gz GPZZXYFFQJJARW-CYBMUJFWSA-N 2 2 269.389 0.260 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCOC[C@@H](C3CCC3)C2)CC1 ZINC000366441265 357207411 /nfs/dbraw/zinc/20/74/11/357207411.db2.gz FBRIHNCUEXCMRQ-HNNXBMFYSA-N 2 2 295.427 0.509 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCOC[C@@H](C3CCC3)C2)CC1 ZINC000366441265 357207415 /nfs/dbraw/zinc/20/74/15/357207415.db2.gz FBRIHNCUEXCMRQ-HNNXBMFYSA-N 2 2 295.427 0.509 20 0 CCADLP O=C(Cc1cn2ccccc2[nH+]1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000366553121 357223329 /nfs/dbraw/zinc/22/33/29/357223329.db2.gz GDIDEYNAHNYRJV-QWRGUYRKSA-N 2 2 276.315 0.693 20 0 CCADLP CC(C)N1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1=O ZINC000655728983 412652092 /nfs/dbraw/zinc/65/20/92/412652092.db2.gz AYJSJUFYOVAXQJ-CABCVRRESA-N 2 2 295.427 0.839 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000367911176 357291890 /nfs/dbraw/zinc/29/18/90/357291890.db2.gz MNFDYLAVDOZFOQ-GFCCVEGCSA-N 2 2 277.372 0.800 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000367911176 357291894 /nfs/dbraw/zinc/29/18/94/357291894.db2.gz MNFDYLAVDOZFOQ-GFCCVEGCSA-N 2 2 277.372 0.800 20 0 CCADLP CCNC(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371303620 357369649 /nfs/dbraw/zinc/36/96/49/357369649.db2.gz PIDFLQKPKYHWRQ-ZIAGYGMSSA-N 2 2 282.432 0.080 20 0 CCADLP CCNC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371303620 357369653 /nfs/dbraw/zinc/36/96/53/357369653.db2.gz PIDFLQKPKYHWRQ-ZIAGYGMSSA-N 2 2 282.432 0.080 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)CC1 ZINC000369254274 357342047 /nfs/dbraw/zinc/34/20/47/357342047.db2.gz JPRIPVSLQXWLEA-GFCCVEGCSA-N 2 2 266.389 0.617 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)CC1 ZINC000369254274 357342052 /nfs/dbraw/zinc/34/20/52/357342052.db2.gz JPRIPVSLQXWLEA-GFCCVEGCSA-N 2 2 266.389 0.617 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN2C(=O)OC[C@@H]2C1 ZINC000370547797 357355181 /nfs/dbraw/zinc/35/51/81/357355181.db2.gz HZGZOLNRGOPVBW-OLZOCXBDSA-N 2 2 267.373 0.997 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN2C(=O)OC[C@@H]2C1 ZINC000370547797 357355184 /nfs/dbraw/zinc/35/51/84/357355184.db2.gz HZGZOLNRGOPVBW-OLZOCXBDSA-N 2 2 267.373 0.997 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000370547797 357355188 /nfs/dbraw/zinc/35/51/88/357355188.db2.gz HZGZOLNRGOPVBW-OLZOCXBDSA-N 2 2 267.373 0.997 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000370547797 357355191 /nfs/dbraw/zinc/35/51/91/357355191.db2.gz HZGZOLNRGOPVBW-OLZOCXBDSA-N 2 2 267.373 0.997 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN2C(=O)OC[C@H]2C1 ZINC000370547796 357355474 /nfs/dbraw/zinc/35/54/74/357355474.db2.gz HZGZOLNRGOPVBW-CHWSQXEVSA-N 2 2 267.373 0.997 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN2C(=O)OC[C@H]2C1 ZINC000370547796 357355477 /nfs/dbraw/zinc/35/54/77/357355477.db2.gz HZGZOLNRGOPVBW-CHWSQXEVSA-N 2 2 267.373 0.997 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000370547796 357355479 /nfs/dbraw/zinc/35/54/79/357355479.db2.gz HZGZOLNRGOPVBW-CHWSQXEVSA-N 2 2 267.373 0.997 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000370547796 357355483 /nfs/dbraw/zinc/35/54/83/357355483.db2.gz HZGZOLNRGOPVBW-CHWSQXEVSA-N 2 2 267.373 0.997 20 0 CCADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(C)(C)O ZINC000655741350 412654256 /nfs/dbraw/zinc/65/42/56/412654256.db2.gz IETXNFQDMBSUMI-DGCLKSJQSA-N 2 2 256.390 0.989 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)NC2CC2)C1 ZINC000376422477 357466716 /nfs/dbraw/zinc/46/67/16/357466716.db2.gz APKYLNAPACLFFX-NSHDSACASA-N 2 2 262.357 0.878 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC000376422477 357466719 /nfs/dbraw/zinc/46/67/19/357466719.db2.gz APKYLNAPACLFFX-NSHDSACASA-N 2 2 262.357 0.878 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000376430547 357467408 /nfs/dbraw/zinc/46/74/08/357467408.db2.gz YIFJJHNQGDNQTB-NSHDSACASA-N 2 2 291.355 0.151 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000376430547 357467411 /nfs/dbraw/zinc/46/74/11/357467411.db2.gz YIFJJHNQGDNQTB-NSHDSACASA-N 2 2 291.355 0.151 20 0 CCADLP C[C@H](c1nncn1C)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000376531844 357476792 /nfs/dbraw/zinc/47/67/92/357476792.db2.gz IINVECDNEKRONR-CYBMUJFWSA-N 2 2 293.415 0.920 20 0 CCADLP COC(=O)C[C@H]1COCC[N@@H+]1CCn1cc[nH+]c1C ZINC000376537531 357478202 /nfs/dbraw/zinc/47/82/02/357478202.db2.gz CGFLBKDPDCHCGA-LBPRGKRZSA-N 2 2 267.329 0.455 20 0 CCADLP COC(=O)C[C@H]1COCC[N@H+]1CCn1cc[nH+]c1C ZINC000376537531 357478204 /nfs/dbraw/zinc/47/82/04/357478204.db2.gz CGFLBKDPDCHCGA-LBPRGKRZSA-N 2 2 267.329 0.455 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000376635616 357486706 /nfs/dbraw/zinc/48/67/06/357486706.db2.gz XVENQXKDLHMUCM-CYBMUJFWSA-N 2 2 296.415 0.197 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000376939715 357519704 /nfs/dbraw/zinc/51/97/04/357519704.db2.gz BFFUFZRKNCEPNL-ZDUSSCGKSA-N 2 2 276.384 0.998 20 0 CCADLP O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)N1CC[NH+]2CCC1CC2 ZINC000378102284 357648052 /nfs/dbraw/zinc/64/80/52/357648052.db2.gz RFLKGCHVVOXYRR-NSHDSACASA-N 2 2 289.383 0.757 20 0 CCADLP O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)N1CC[NH+]2CCC1CC2 ZINC000378102284 357648059 /nfs/dbraw/zinc/64/80/59/357648059.db2.gz RFLKGCHVVOXYRR-NSHDSACASA-N 2 2 289.383 0.757 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378196340 357656924 /nfs/dbraw/zinc/65/69/24/357656924.db2.gz KTQJNHGOKPVNLL-SNVBAGLBSA-N 2 2 250.346 0.723 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378196340 357656927 /nfs/dbraw/zinc/65/69/27/357656927.db2.gz KTQJNHGOKPVNLL-SNVBAGLBSA-N 2 2 250.346 0.723 20 0 CCADLP CCS(=O)(=O)NCCC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000576526871 335215211 /nfs/dbraw/zinc/21/52/11/335215211.db2.gz KHLYDFCRCJXHKY-QWHCGFSZSA-N 2 2 289.445 0.484 20 0 CCADLP CCS(=O)(=O)NCCC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000576526871 335215212 /nfs/dbraw/zinc/21/52/12/335215212.db2.gz KHLYDFCRCJXHKY-QWHCGFSZSA-N 2 2 289.445 0.484 20 0 CCADLP C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C[NH3+])C1 ZINC000380742000 357705532 /nfs/dbraw/zinc/70/55/32/357705532.db2.gz LTARGGYBYOGLRA-LBPRGKRZSA-N 2 2 282.319 0.809 20 0 CCADLP C[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C[NH3+])C1 ZINC000380742000 357705535 /nfs/dbraw/zinc/70/55/35/357705535.db2.gz LTARGGYBYOGLRA-LBPRGKRZSA-N 2 2 282.319 0.809 20 0 CCADLP C[C@@H](C(=O)NCCC[NH+]1CCOCC1)[NH+]1CC(C)C1 ZINC000561068997 291116083 /nfs/dbraw/zinc/11/60/83/291116083.db2.gz HURCESBMYVXAGX-ZDUSSCGKSA-N 2 2 269.389 0.165 20 0 CCADLP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)CO2 ZINC000453105969 236273583 /nfs/dbraw/zinc/27/35/83/236273583.db2.gz XTWHFRDEKRCXFZ-STQMWFEESA-N 2 2 280.368 0.511 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H](C)[NH+](C)C ZINC000454334396 236290773 /nfs/dbraw/zinc/29/07/73/236290773.db2.gz DYXDTOITGKYFRR-MNOVXSKESA-N 2 2 253.350 0.521 20 0 CCADLP CCCN1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)CC1=O ZINC000262072902 283330445 /nfs/dbraw/zinc/33/04/45/283330445.db2.gz 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ZINC000567736080 358580330 /nfs/dbraw/zinc/58/03/30/358580330.db2.gz GPHDIACRWYPRHR-WFASDCNBSA-N 2 2 297.399 0.224 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@]2(C)CCC[NH2+]2)C[C@@H]1C ZINC000567736080 358580334 /nfs/dbraw/zinc/58/03/34/358580334.db2.gz GPHDIACRWYPRHR-WFASDCNBSA-N 2 2 297.399 0.224 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000567869451 358602486 /nfs/dbraw/zinc/60/24/86/358602486.db2.gz NABLOOSAJSUYFT-OCCSQVGLSA-N 2 2 296.415 0.243 20 0 CCADLP C[C@@H](NC(=O)[C@@H](C)[NH+]1CC(C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000574050873 334988100 /nfs/dbraw/zinc/98/81/00/334988100.db2.gz BAPBXQCXWRDCEW-HZSPNIEDSA-N 2 2 283.416 0.552 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000568169838 358641048 /nfs/dbraw/zinc/64/10/48/358641048.db2.gz VLBBIZYEULALEJ-GFCCVEGCSA-N 2 2 271.386 0.472 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000568169838 358641049 /nfs/dbraw/zinc/64/10/49/358641049.db2.gz VLBBIZYEULALEJ-GFCCVEGCSA-N 2 2 271.386 0.472 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)CC2(CCC2)O1 ZINC000567810897 358589809 /nfs/dbraw/zinc/58/98/09/358589809.db2.gz LLVPLMFOLIFPDV-CYBMUJFWSA-N 2 2 281.400 0.404 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CC2(CCC2)O1 ZINC000567810897 358589811 /nfs/dbraw/zinc/58/98/11/358589811.db2.gz LLVPLMFOLIFPDV-CYBMUJFWSA-N 2 2 281.400 0.404 20 0 CCADLP COC[C@@]1(C(=O)N(C)CCCn2cc[nH+]c2)CC[NH2+]C1 ZINC000567818489 358591531 /nfs/dbraw/zinc/59/15/31/358591531.db2.gz AYGRDNXFQNJCQI-CQSZACIVSA-N 2 2 280.372 0.358 20 0 CCADLP O=C(C[C@@H]1CCC[NH2+]C1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000568230695 358654182 /nfs/dbraw/zinc/65/41/82/358654182.db2.gz BDOBRRWBBUQHKQ-ZDUSSCGKSA-N 2 2 291.399 0.444 20 0 CCADLP Cc1cccn2c(CN3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)c[nH+]c12 ZINC000568259347 358658420 /nfs/dbraw/zinc/65/84/20/358658420.db2.gz DFCKLEZGCWFNBI-TZMCWYRMSA-N 2 2 299.378 0.387 20 0 CCADLP Cc1cccn2c(C[N@@H+]3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)cnc12 ZINC000568259347 358658422 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C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1([NH+](C)C)CC1 ZINC000568413986 358673997 /nfs/dbraw/zinc/67/39/97/358673997.db2.gz XHHWUPBFRVEYTP-JTQLQIEISA-N 2 2 250.346 0.799 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1([NH+](C)C)CC1 ZINC000568413986 358674001 /nfs/dbraw/zinc/67/40/01/358674001.db2.gz XHHWUPBFRVEYTP-JTQLQIEISA-N 2 2 250.346 0.799 20 0 CCADLP COc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c(F)c1 ZINC000568646754 358693335 /nfs/dbraw/zinc/69/33/35/358693335.db2.gz JDJITEHGHNTAMC-FZMZJTMJSA-N 2 2 293.342 0.578 20 0 CCADLP C[C@@H](C(=O)NCC[N@H+]1CC=CCC1)[NH+]1CC(C)C1 ZINC000568652709 358695370 /nfs/dbraw/zinc/69/53/70/358695370.db2.gz URJAGPMHYZVSBV-ZDUSSCGKSA-N 2 2 251.374 0.705 20 0 CCADLP C[C@@H](C(=O)NCC[N@@H+]1CC=CCC1)[NH+]1CC(C)C1 ZINC000568652709 358695373 /nfs/dbraw/zinc/69/53/73/358695373.db2.gz URJAGPMHYZVSBV-ZDUSSCGKSA-N 2 2 251.374 0.705 20 0 CCADLP CC[NH+](CC)[C@H](C)CNc1nc[nH+]c(N)c1OC ZINC000569471723 358766843 /nfs/dbraw/zinc/76/68/43/358766843.db2.gz KWURAXJBCYWBRM-SECBINFHSA-N 2 2 253.350 0.632 20 0 CCADLP [NH3+][C@@H](CC(=O)NCc1[nH]cc[nH+]1)Cc1ccccc1 ZINC000569100576 358733633 /nfs/dbraw/zinc/73/36/33/358733633.db2.gz LTDGSDBECVPXPJ-GFCCVEGCSA-N 2 2 258.325 0.986 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000569986964 358812336 /nfs/dbraw/zinc/81/23/36/358812336.db2.gz LLEKQXWNVJENEE-CHWSQXEVSA-N 2 2 296.415 0.797 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000569986964 358812338 /nfs/dbraw/zinc/81/23/38/358812338.db2.gz LLEKQXWNVJENEE-CHWSQXEVSA-N 2 2 296.415 0.797 20 0 CCADLP CC(C)CC[C@H](O)C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000569921504 358804686 /nfs/dbraw/zinc/80/46/86/358804686.db2.gz VMGGZIWSHSXYHJ-KGLIPLIRSA-N 2 2 257.422 0.619 20 0 CCADLP CC(C)CC[C@H](O)C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000569921504 358804688 /nfs/dbraw/zinc/80/46/88/358804688.db2.gz VMGGZIWSHSXYHJ-KGLIPLIRSA-N 2 2 257.422 0.619 20 0 CCADLP C[N@@H+]1CCN(C(=O)COc2ccc(F)cc2F)[C@@H](C[NH3+])C1 ZINC000570278343 358840058 /nfs/dbraw/zinc/84/00/58/358840058.db2.gz ZTEVFUSCHJAJNZ-NSHDSACASA-N 2 2 299.321 0.445 20 0 CCADLP C[N@H+]1CCN(C(=O)COc2ccc(F)cc2F)[C@@H](C[NH3+])C1 ZINC000570278343 358840060 /nfs/dbraw/zinc/84/00/60/358840060.db2.gz ZTEVFUSCHJAJNZ-NSHDSACASA-N 2 2 299.321 0.445 20 0 CCADLP COc1c(N)[nH+]cnc1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000571105759 358913346 /nfs/dbraw/zinc/91/33/46/358913346.db2.gz OKGRYAYKCLFIAC-SECBINFHSA-N 2 2 263.345 0.386 20 0 CCADLP COc1c(N)[nH+]cnc1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000571105759 358913349 /nfs/dbraw/zinc/91/33/49/358913349.db2.gz OKGRYAYKCLFIAC-SECBINFHSA-N 2 2 263.345 0.386 20 0 CCADLP COc1c(N)nc[nH+]c1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000571105759 358913350 /nfs/dbraw/zinc/91/33/50/358913350.db2.gz OKGRYAYKCLFIAC-SECBINFHSA-N 2 2 263.345 0.386 20 0 CCADLP COc1c(N)nc[nH+]c1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000571105759 358913353 /nfs/dbraw/zinc/91/33/53/358913353.db2.gz OKGRYAYKCLFIAC-SECBINFHSA-N 2 2 263.345 0.386 20 0 CCADLP 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360728781 /nfs/dbraw/zinc/72/87/81/360728781.db2.gz VOIQUQYZFRKSMU-LALPHHSUSA-N 2 2 299.415 0.504 20 0 CCADLP COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000595904604 360699893 /nfs/dbraw/zinc/69/98/93/360699893.db2.gz IKYSBRONOUSFGE-DTORHVGOSA-N 2 2 282.344 0.647 20 0 CCADLP COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000595904604 360699899 /nfs/dbraw/zinc/69/98/99/360699899.db2.gz IKYSBRONOUSFGE-DTORHVGOSA-N 2 2 282.344 0.647 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000563570166 291238223 /nfs/dbraw/zinc/23/82/23/291238223.db2.gz WZJXNVGSYAMPEL-MGPQQGTHSA-N 2 2 296.415 0.101 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000563570166 291238224 /nfs/dbraw/zinc/23/82/24/291238224.db2.gz WZJXNVGSYAMPEL-MGPQQGTHSA-N 2 2 296.415 0.101 20 0 CCADLP O=C(NCc1ccn2cc[nH+]c2c1)[C@H]1CCC[NH2+]C1 ZINC000178800722 189147577 /nfs/dbraw/zinc/14/75/77/189147577.db2.gz NTQWIAZJFJJOBB-LBPRGKRZSA-N 2 2 258.325 0.950 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000417422027 296022167 /nfs/dbraw/zinc/02/21/67/296022167.db2.gz JZWFTKXJKXIHMY-GHMZBOCLSA-N 2 2 272.393 0.132 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000417422027 296022168 /nfs/dbraw/zinc/02/21/68/296022168.db2.gz JZWFTKXJKXIHMY-GHMZBOCLSA-N 2 2 272.393 0.132 20 0 CCADLP C[N@@H+](Cc1ccc(OCC(F)(F)F)nn1)C[C@H](O)C[NH3+] ZINC000655941274 412708863 /nfs/dbraw/zinc/70/88/63/412708863.db2.gz PGFIVDKJJNPYQB-SECBINFHSA-N 2 2 294.277 0.169 20 0 CCADLP C[N@H+](Cc1ccc(OCC(F)(F)F)nn1)C[C@H](O)C[NH3+] ZINC000655941274 412708866 /nfs/dbraw/zinc/70/88/66/412708866.db2.gz PGFIVDKJJNPYQB-SECBINFHSA-N 2 2 294.277 0.169 20 0 CCADLP COC(=O)[C@@H](O)C1CC[NH+](Cc2c[nH+]c(C)n2C)CC1 ZINC000597027357 360995025 /nfs/dbraw/zinc/99/50/25/360995025.db2.gz CQAFRTCZNXPPFM-ZDUSSCGKSA-N 2 2 281.356 0.474 20 0 CCADLP COC(=O)[C@@H](O)C1CC[NH+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000597030203 360996730 /nfs/dbraw/zinc/99/67/30/360996730.db2.gz QZGCOKNDHQRESM-AWEZNQCLSA-N 2 2 293.367 0.575 20 0 CCADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000563709383 291248066 /nfs/dbraw/zinc/24/80/66/291248066.db2.gz SXRBLJRSJMITGQ-DOMZBBRYSA-N 3 2 280.416 0.872 20 0 CCADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000563709383 291248068 /nfs/dbraw/zinc/24/80/68/291248068.db2.gz SXRBLJRSJMITGQ-DOMZBBRYSA-N 3 2 280.416 0.872 20 0 CCADLP COC(=O)[C@H]1C[C@@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000597220279 361033824 /nfs/dbraw/zinc/03/38/24/361033824.db2.gz BYBPZYPVLFVUQO-AOOOYVTPSA-N 2 2 266.345 0.527 20 0 CCADLP COC(=O)[C@H]1C[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000597222867 361034368 /nfs/dbraw/zinc/03/43/68/361034368.db2.gz ONEWUNVQDONHCS-KWCYVHTRSA-N 2 2 282.384 0.781 20 0 CCADLP COC(=O)[C@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000597245795 361040206 /nfs/dbraw/zinc/04/02/06/361040206.db2.gz ONEWUNVQDONHCS-UBHSHLNASA-N 2 2 282.384 0.781 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@H+](CCOc3ccccc3F)CCN2C1=O ZINC000563899165 291258049 /nfs/dbraw/zinc/25/80/49/291258049.db2.gz QREQYFKQCYMJNC-YPMHNXCESA-N 2 2 293.342 0.448 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCOc3ccccc3F)CCN2C1=O ZINC000563899165 291258050 /nfs/dbraw/zinc/25/80/50/291258050.db2.gz QREQYFKQCYMJNC-YPMHNXCESA-N 2 2 293.342 0.448 20 0 CCADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000423233606 283641881 /nfs/dbraw/zinc/64/18/81/283641881.db2.gz KFWBKFLWGUARAK-DGCLKSJQSA-N 2 2 297.424 0.997 20 0 CCADLP C[N@H+](CCCOC(=O)NC(N)=O)CCCn1cc[nH+]c1 ZINC000181110172 189288914 /nfs/dbraw/zinc/28/89/14/189288914.db2.gz PVYYLGYXCZBXPR-UHFFFAOYSA-N 2 2 283.332 0.400 20 0 CCADLP C[N@@H+](CCCOC(=O)NC(N)=O)CCCn1cc[nH+]c1 ZINC000181110172 189288915 /nfs/dbraw/zinc/28/89/15/189288915.db2.gz PVYYLGYXCZBXPR-UHFFFAOYSA-N 2 2 283.332 0.400 20 0 CCADLP CN(CCCn1cc[nH+]c1)c1[nH+]cnc2[nH]cc(C(N)=O)c21 ZINC000621281165 366701918 /nfs/dbraw/zinc/70/19/18/366701918.db2.gz TVUMITBKQLYTDV-UHFFFAOYSA-N 2 2 299.338 0.780 20 0 CCADLP Cc1cc(N2CC[C@H](C[NH+]3CCOCC3)C2)nc[nH+]1 ZINC000301428818 201005123 /nfs/dbraw/zinc/00/51/23/201005123.db2.gz FILYHURVUZMOMD-CYBMUJFWSA-N 2 2 262.357 0.944 20 0 CCADLP C[NH+](C)CCCS(=O)(=O)N1CC[NH+](C2CC2)CC1 ZINC000631811877 370681484 /nfs/dbraw/zinc/68/14/84/370681484.db2.gz SQTFZNDBWSAJHY-UHFFFAOYSA-N 2 2 275.418 0.048 20 0 CCADLP Cc1nccnc1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000631826433 370692513 /nfs/dbraw/zinc/69/25/13/370692513.db2.gz NAHULBWPEFDXMM-CYBMUJFWSA-N 2 2 261.373 0.265 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)Nc1ccccn1 ZINC000631827370 370692530 /nfs/dbraw/zinc/69/25/30/370692530.db2.gz NBQLZQBKYVXHRA-JTNHKYCSSA-N 2 2 262.357 0.996 20 0 CCADLP C(c1noc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)n1)C1CC1 ZINC000631827463 370694710 /nfs/dbraw/zinc/69/47/10/370694710.db2.gz OTJPPDMIMDJGEA-ZDUSSCGKSA-N 2 2 291.399 0.502 20 0 CCADLP C(c1noc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)n1)C1CC1 ZINC000631827463 370694717 /nfs/dbraw/zinc/69/47/17/370694717.db2.gz OTJPPDMIMDJGEA-ZDUSSCGKSA-N 2 2 291.399 0.502 20 0 CCADLP CCCn1nccc1NC(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000631821095 370687305 /nfs/dbraw/zinc/68/73/05/370687305.db2.gz OOCQJLDPUDSHJJ-UHFFFAOYSA-N 2 2 279.388 0.915 20 0 CCADLP CCCn1nccc1NC(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000631821095 370687313 /nfs/dbraw/zinc/68/73/13/370687313.db2.gz OOCQJLDPUDSHJJ-UHFFFAOYSA-N 2 2 279.388 0.915 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC(C)(CCOC)C1 ZINC000564099164 291266678 /nfs/dbraw/zinc/26/66/78/291266678.db2.gz GOOKJLDUYDTVNX-CYBMUJFWSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC(C)(CCOC)C1 ZINC000564099164 291266679 /nfs/dbraw/zinc/26/66/79/291266679.db2.gz GOOKJLDUYDTVNX-CYBMUJFWSA-N 2 2 274.405 0.284 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621646600 366815872 /nfs/dbraw/zinc/81/58/72/366815872.db2.gz YRORQJJOWSFRMN-CQSZACIVSA-N 2 2 297.443 0.993 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621646600 366815880 /nfs/dbraw/zinc/81/58/80/366815880.db2.gz YRORQJJOWSFRMN-CQSZACIVSA-N 2 2 297.443 0.993 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)COC2CCC([NH3+])CC2)CCO1 ZINC000564333936 291275402 /nfs/dbraw/zinc/27/54/02/291275402.db2.gz KABJECZMQUBJMB-HSBZDZAISA-N 2 2 299.415 0.110 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)COC2CCC([NH3+])CC2)CCO1 ZINC000564333936 291275404 /nfs/dbraw/zinc/27/54/04/291275404.db2.gz KABJECZMQUBJMB-HSBZDZAISA-N 2 2 299.415 0.110 20 0 CCADLP CNc1nc(NCCc2cn(C)c[nH+]2)[nH+]c2ccccc21 ZINC000564425638 291278821 /nfs/dbraw/zinc/27/88/21/291278821.db2.gz IMCHPQQYSJAYDG-UHFFFAOYSA-N 2 2 282.351 0.903 20 0 CCADLP CCOC(=O)C[C@@H](O)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000599305155 361643392 /nfs/dbraw/zinc/64/33/92/361643392.db2.gz URGIMISTUCWWEH-HUUCEWRRSA-N 2 2 298.427 0.964 20 0 CCADLP CCOC(=O)C[C@@H](O)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000599305155 361643401 /nfs/dbraw/zinc/64/34/01/361643401.db2.gz URGIMISTUCWWEH-HUUCEWRRSA-N 2 2 298.427 0.964 20 0 CCADLP CCOC(=O)C[C@@H](O)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000599305155 361643404 /nfs/dbraw/zinc/64/34/04/361643404.db2.gz URGIMISTUCWWEH-HUUCEWRRSA-N 2 2 298.427 0.964 20 0 CCADLP CCOC(=O)C[C@@H](O)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000599305155 361643412 /nfs/dbraw/zinc/64/34/12/361643412.db2.gz URGIMISTUCWWEH-HUUCEWRRSA-N 2 2 298.427 0.964 20 0 CCADLP CCc1cc(NC[C@@H]2C[NH+]3CCN2CC3)nc(C)[nH+]1 ZINC000302104286 201341231 /nfs/dbraw/zinc/34/12/31/201341231.db2.gz RHNBLJQCOGAELY-CYBMUJFWSA-N 2 2 261.373 0.759 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CC2(C)CC2)C[C@H](C)O1 ZINC000564650559 291290502 /nfs/dbraw/zinc/29/05/02/291290502.db2.gz BMKMTEJUJXVLOJ-FRRDWIJNSA-N 2 2 256.390 0.846 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CC2(C)CC2)C[C@H](C)O1 ZINC000564650559 291290504 /nfs/dbraw/zinc/29/05/04/291290504.db2.gz BMKMTEJUJXVLOJ-FRRDWIJNSA-N 2 2 256.390 0.846 20 0 CCADLP CCn1cccc(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c1=O ZINC000564724189 291295499 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COCc1noc([C@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000631838741 370703334 /nfs/dbraw/zinc/70/33/34/370703334.db2.gz UMXUFUIPXVDVDY-KXUCPTDWSA-N 2 2 254.334 0.804 20 0 CCADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCOc1ccc(S(N)(=O)=O)cc1 ZINC000631858463 370719739 /nfs/dbraw/zinc/71/97/39/370719739.db2.gz YXGAMKFGKVEJNW-WDEREUQCSA-N 2 2 299.396 0.134 20 0 CCADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCOc1ccc(S(N)(=O)=O)cc1 ZINC000631858463 370719744 /nfs/dbraw/zinc/71/97/44/370719744.db2.gz YXGAMKFGKVEJNW-WDEREUQCSA-N 2 2 299.396 0.134 20 0 CCADLP Cc1cc(NC(=O)CC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)no1 ZINC000631887515 370737861 /nfs/dbraw/zinc/73/78/61/370737861.db2.gz SKSZKNXIVULHHZ-QWHCGFSZSA-N 2 2 292.383 0.807 20 0 CCADLP Cc1cc(NC(=O)CC[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)no1 ZINC000631887515 370737868 /nfs/dbraw/zinc/73/78/68/370737868.db2.gz SKSZKNXIVULHHZ-QWHCGFSZSA-N 2 2 292.383 0.807 20 0 CCADLP Cc1nccnc1C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000621716085 366848615 /nfs/dbraw/zinc/84/86/15/366848615.db2.gz QXKYYCWKLBPEIH-OAHLLOKOSA-N 2 2 289.427 0.997 20 0 CCADLP Cc1nccnc1C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000621716085 366848618 /nfs/dbraw/zinc/84/86/18/366848618.db2.gz QXKYYCWKLBPEIH-OAHLLOKOSA-N 2 2 289.427 0.997 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@H]2CN(C)C(=O)O2)C1 ZINC000496421273 240057814 /nfs/dbraw/zinc/05/78/14/240057814.db2.gz XKNBADXKLPXFKE-GHMZBOCLSA-N 2 2 264.329 0.660 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@H]2CN(C)C(=O)O2)C1 ZINC000496421273 240057822 /nfs/dbraw/zinc/05/78/22/240057822.db2.gz XKNBADXKLPXFKE-GHMZBOCLSA-N 2 2 264.329 0.660 20 0 CCADLP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000615312523 364917386 /nfs/dbraw/zinc/91/73/86/364917386.db2.gz GHBGFRCFRVMJKX-BZPMIXESSA-N 2 2 276.384 0.997 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615549842 365003470 /nfs/dbraw/zinc/00/34/70/365003470.db2.gz ULERZRIXGNSNFZ-CQSZACIVSA-N 2 2 292.383 0.596 20 0 CCADLP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000565033751 291338392 /nfs/dbraw/zinc/33/83/92/291338392.db2.gz BBEYAUWUNNXVOB-NWDGAFQWSA-N 2 2 262.357 0.513 20 0 CCADLP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000565033751 291338393 /nfs/dbraw/zinc/33/83/93/291338393.db2.gz BBEYAUWUNNXVOB-NWDGAFQWSA-N 2 2 262.357 0.513 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615539145 364997905 /nfs/dbraw/zinc/99/79/05/364997905.db2.gz YKNRZFIVYHCJMV-CYBMUJFWSA-N 2 2 292.383 0.666 20 0 CCADLP C[C@@H](CC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)n1cc[nH+]c1 ZINC000565151320 291347653 /nfs/dbraw/zinc/34/76/53/291347653.db2.gz LFJANYQQOFRNEU-KBPBESRZSA-N 2 2 291.399 0.340 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+]C(C)(C)C(=O)NCC(C)(C)C ZINC000565159598 291349608 /nfs/dbraw/zinc/34/96/08/291349608.db2.gz ZULDDRADWDDOCP-GFCCVEGCSA-N 2 2 287.448 0.830 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)C(=O)NCC(C)(C)C ZINC000565159598 291349610 /nfs/dbraw/zinc/34/96/10/291349610.db2.gz ZULDDRADWDDOCP-GFCCVEGCSA-N 2 2 287.448 0.830 20 0 CCADLP C[NH+](C)CCN(CC[NH+]1CCOCC1)Cc1ccccn1 ZINC000565163750 291349859 /nfs/dbraw/zinc/34/98/59/291349859.db2.gz PIWWVKKZNPKOSL-UHFFFAOYSA-N 2 2 292.427 0.777 20 0 CCADLP Cc1ccn2cc(CNC(=O)[C@H]3C[C@H](F)C[NH2+]3)[nH+]c2c1 ZINC000275567794 193076706 /nfs/dbraw/zinc/07/67/06/193076706.db2.gz XTPZOUITVKKJCA-CMPLNLGQSA-N 2 2 276.315 0.959 20 0 CCADLP COC[C@@H](O)C[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000565168012 291350833 /nfs/dbraw/zinc/35/08/33/291350833.db2.gz AWYKJWMUTRMCCM-JSGCOSHPSA-N 2 2 272.389 0.179 20 0 CCADLP COC[C@@H](O)C[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000565168012 291350835 /nfs/dbraw/zinc/35/08/35/291350835.db2.gz AWYKJWMUTRMCCM-JSGCOSHPSA-N 2 2 272.389 0.179 20 0 CCADLP CC(C)(C)n1nnc(CC[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)n1 ZINC000621784789 366867654 /nfs/dbraw/zinc/86/76/54/366867654.db2.gz VDVFXTNTIHJFKR-FZMZJTMJSA-N 2 2 278.404 0.784 20 0 CCADLP CC(C)(C)n1nnc(CC[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)n1 ZINC000621784789 366867659 /nfs/dbraw/zinc/86/76/59/366867659.db2.gz VDVFXTNTIHJFKR-FZMZJTMJSA-N 2 2 278.404 0.784 20 0 CCADLP COc1cc[nH+]c(CN2C[C@H](O)[C@@H]([NH+](C)C)C2)c1OC ZINC000565171113 291351332 /nfs/dbraw/zinc/35/13/32/291351332.db2.gz MXRFCGDGRREZHD-RYUDHWBXSA-N 2 2 281.356 0.206 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)CCCC[NH+]1CCOCC1 ZINC000616924795 365471105 /nfs/dbraw/zinc/47/11/05/365471105.db2.gz WIRZIQFXTUGSNM-UHFFFAOYSA-N 2 2 280.372 0.871 20 0 CCADLP O=C(C[C@H]1CCC[NH2+]1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000431007442 283868572 /nfs/dbraw/zinc/86/85/72/283868572.db2.gz VAASQUURWVBKPH-GFCCVEGCSA-N 2 2 277.372 0.196 20 0 CCADLP CC[NH+]1CCN([C@@H](C)CNC(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000565189805 291355500 /nfs/dbraw/zinc/35/55/00/291355500.db2.gz SVNBIWVPBXLANF-AWEZNQCLSA-N 2 2 296.459 0.470 20 0 CCADLP Cc1nc2[nH]ccc2c(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)[nH+]1 ZINC000565232593 291364525 /nfs/dbraw/zinc/36/45/25/291364525.db2.gz KYEQXLUPEANNTO-GXSJLCMTSA-N 2 2 286.339 0.015 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NCCc2cn(C)c[nH+]2)C[N@@H+]1C1CC1 ZINC000565290316 291369200 /nfs/dbraw/zinc/36/92/00/291369200.db2.gz IDNNPMCDRNDXRC-DGCLKSJQSA-N 2 2 291.399 0.887 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NCCc2cn(C)c[nH+]2)C[N@H+]1C1CC1 ZINC000565290316 291369203 /nfs/dbraw/zinc/36/92/03/291369203.db2.gz IDNNPMCDRNDXRC-DGCLKSJQSA-N 2 2 291.399 0.887 20 0 CCADLP CC(C)(C(=O)NC[C@@H]1CCCC[N@@H+]1CCO)c1c[nH]c[nH+]1 ZINC000622074608 367007203 /nfs/dbraw/zinc/00/72/03/367007203.db2.gz CAAMVSQGAUHFOE-LBPRGKRZSA-N 2 2 294.399 0.650 20 0 CCADLP CC(C)(C(=O)NC[C@@H]1CCCC[N@H+]1CCO)c1c[nH]c[nH+]1 ZINC000622074608 367007204 /nfs/dbraw/zinc/00/72/04/367007204.db2.gz CAAMVSQGAUHFOE-LBPRGKRZSA-N 2 2 294.399 0.650 20 0 CCADLP CC(C)(C(=O)NC[C@@H]1CCCC[N@@H+]1CCO)c1c[nH+]c[nH]1 ZINC000622074608 367007207 /nfs/dbraw/zinc/00/72/07/367007207.db2.gz CAAMVSQGAUHFOE-LBPRGKRZSA-N 2 2 294.399 0.650 20 0 CCADLP CC(C)(C(=O)NC[C@@H]1CCCC[N@H+]1CCO)c1c[nH+]c[nH]1 ZINC000622074608 367007210 /nfs/dbraw/zinc/00/72/10/367007210.db2.gz CAAMVSQGAUHFOE-LBPRGKRZSA-N 2 2 294.399 0.650 20 0 CCADLP COc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(C)c1 ZINC000566200307 291374803 /nfs/dbraw/zinc/37/48/03/291374803.db2.gz JQOMBKLLINSLTM-LBPRGKRZSA-N 2 2 277.368 0.719 20 0 CCADLP COc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c(C)c1 ZINC000566200307 291374805 /nfs/dbraw/zinc/37/48/05/291374805.db2.gz JQOMBKLLINSLTM-LBPRGKRZSA-N 2 2 277.368 0.719 20 0 CCADLP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335547301 212249060 /nfs/dbraw/zinc/24/90/60/212249060.db2.gz DCCSUIOZJJXNFY-OCCSQVGLSA-N 2 2 276.384 0.998 20 0 CCADLP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335547302 212249219 /nfs/dbraw/zinc/24/92/19/212249219.db2.gz DCCSUIOZJJXNFY-TZMCWYRMSA-N 2 2 276.384 0.998 20 0 CCADLP C[NH+](C)CCCS(=O)(=O)N1CC(=O)Nc2c[nH+]ccc21 ZINC000632042263 370845433 /nfs/dbraw/zinc/84/54/33/370845433.db2.gz IZGMJUNISGGGNZ-UHFFFAOYSA-N 2 2 298.368 0.122 20 0 CCADLP C[C@@H](NC(=O)[C@@H](C)[C@H](C)[NH3+])[C@@H](C)[NH+]1CCOCC1 ZINC000249123242 296094334 /nfs/dbraw/zinc/09/43/34/296094334.db2.gz XDEMWIRZFHHSQE-NNYUYHANSA-N 2 2 257.378 0.195 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC000622676648 367283585 /nfs/dbraw/zinc/28/35/85/367283585.db2.gz GDBKQMULNHWPJR-GFCCVEGCSA-N 2 2 264.373 0.904 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC000622676648 367283594 /nfs/dbraw/zinc/28/35/94/367283594.db2.gz GDBKQMULNHWPJR-GFCCVEGCSA-N 2 2 264.373 0.904 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC(C2CCOCC2)C1 ZINC000656152560 412752037 /nfs/dbraw/zinc/75/20/37/412752037.db2.gz RQJOZKALSSIFCV-HNNXBMFYSA-N 2 2 286.416 0.284 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC(C2CCOCC2)C1 ZINC000656152560 412752040 /nfs/dbraw/zinc/75/20/40/412752040.db2.gz RQJOZKALSSIFCV-HNNXBMFYSA-N 2 2 286.416 0.284 20 0 CCADLP Cc1ccc(CCCN2CC[N@@H+](C)C[C@H]2C[NH3+])cn1 ZINC000566230519 291380050 /nfs/dbraw/zinc/38/00/50/291380050.db2.gz OHFSJPXSXNNVBM-OAHLLOKOSA-N 2 2 262.401 0.897 20 0 CCADLP Cc1ccc(CCCN2CC[N@H+](C)C[C@H]2C[NH3+])cn1 ZINC000566230519 291380052 /nfs/dbraw/zinc/38/00/52/291380052.db2.gz OHFSJPXSXNNVBM-OAHLLOKOSA-N 2 2 262.401 0.897 20 0 CCADLP CC(C)[C@@H](O)CC[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000566232902 291380746 /nfs/dbraw/zinc/38/07/46/291380746.db2.gz FAVUEVADGORDHH-BARDWOONSA-N 2 2 288.432 0.453 20 0 CCADLP CC(C)[C@@H](O)CC[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000566232902 291380749 /nfs/dbraw/zinc/38/07/49/291380749.db2.gz FAVUEVADGORDHH-BARDWOONSA-N 2 2 288.432 0.453 20 0 CCADLP CC1(C)CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC[NH2+]1 ZINC000623179129 367467285 /nfs/dbraw/zinc/46/72/85/367467285.db2.gz YFQQQJRKCVUWRW-NSHDSACASA-N 2 2 262.357 0.656 20 0 CCADLP Cn1cc[nH+]c1N1CCC(NC(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000566249622 291384388 /nfs/dbraw/zinc/38/43/88/291384388.db2.gz ZUGVSVWARPERJJ-NSHDSACASA-N 2 2 295.412 0.168 20 0 CCADLP CN(CCC[NH2+]Cc1nnn(C(C)(C)C)n1)CC[NH+](C)C ZINC000623087530 367445536 /nfs/dbraw/zinc/44/55/36/367445536.db2.gz XLLXHNOCKZRGIS-UHFFFAOYSA-N 2 2 297.451 0.401 20 0 CCADLP [NH3+]CC1(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC000623176408 367464675 /nfs/dbraw/zinc/46/46/75/367464675.db2.gz ZGCGTQRVPXQZRI-LLVKDONJSA-N 2 2 262.357 0.833 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000623390269 367552142 /nfs/dbraw/zinc/55/21/42/367552142.db2.gz FWDUDUKCEIYTDA-AWEZNQCLSA-N 2 2 296.415 0.243 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000623390269 367552147 /nfs/dbraw/zinc/55/21/47/367552147.db2.gz FWDUDUKCEIYTDA-AWEZNQCLSA-N 2 2 296.415 0.243 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623266334 367504171 /nfs/dbraw/zinc/50/41/71/367504171.db2.gz YJRUWFZFZNBZKY-GRYCIOLGSA-N 2 2 262.357 0.797 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623266334 367504174 /nfs/dbraw/zinc/50/41/74/367504174.db2.gz YJRUWFZFZNBZKY-GRYCIOLGSA-N 2 2 262.357 0.797 20 0 CCADLP C[C@@H](NC(=O)[C@H](C)[NH2+]C1CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000449119307 296099385 /nfs/dbraw/zinc/09/93/85/296099385.db2.gz YAOCMNWCODGQIF-GRYCIOLGSA-N 2 2 269.389 0.352 20 0 CCADLP C[NH+](C)C1(CNC(=O)NC[C@@H]2COCC[N@@H+]2C)CCCC1 ZINC000623705017 367623703 /nfs/dbraw/zinc/62/37/03/367623703.db2.gz ZUVFJFXBKSQGCI-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+](C)C1(CNC(=O)NC[C@@H]2COCC[N@H+]2C)CCCC1 ZINC000623705017 367623707 /nfs/dbraw/zinc/62/37/07/367623707.db2.gz ZUVFJFXBKSQGCI-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP COc1cccc(C[NH2+]CC[N@@H+]2CC[C@H](O)C2)c1 ZINC000623835929 367673739 /nfs/dbraw/zinc/67/37/39/367673739.db2.gz CZZQCXPSXCCUJM-ZDUSSCGKSA-N 2 2 250.342 0.851 20 0 CCADLP COc1cccc(C[NH2+]CC[N@H+]2CC[C@H](O)C2)c1 ZINC000623835929 367673741 /nfs/dbraw/zinc/67/37/41/367673741.db2.gz CZZQCXPSXCCUJM-ZDUSSCGKSA-N 2 2 250.342 0.851 20 0 CCADLP CO[C@@H](C)[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624085169 367747484 /nfs/dbraw/zinc/74/74/84/367747484.db2.gz BZZCPTPFTSURHE-SRVKXCTJSA-N 2 2 257.378 0.339 20 0 CCADLP CO[C@@H](C)[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624085169 367747489 /nfs/dbraw/zinc/74/74/89/367747489.db2.gz BZZCPTPFTSURHE-SRVKXCTJSA-N 2 2 257.378 0.339 20 0 CCADLP Cc1c[nH+]cn1C1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000624175491 367774519 /nfs/dbraw/zinc/77/45/19/367774519.db2.gz QHMMWALGIRWDSN-UHFFFAOYSA-N 2 2 274.332 0.043 20 0 CCADLP Cc1c[nH+]cn1C1CCN(c2nc(N)nc(N)[nH+]2)CC1 ZINC000624175491 367774538 /nfs/dbraw/zinc/77/45/38/367774538.db2.gz QHMMWALGIRWDSN-UHFFFAOYSA-N 2 2 274.332 0.043 20 0 CCADLP C[NH+](C)C[C@H](CO)Nc1nc2ccccc2n2c[nH+]cc12 ZINC000624221267 367793779 /nfs/dbraw/zinc/79/37/79/367793779.db2.gz UIZSOLQKCKDNHT-LLVKDONJSA-N 2 2 285.351 0.639 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000624228874 367795977 /nfs/dbraw/zinc/79/59/77/367795977.db2.gz FCRVDUHTQCLBQB-BNOWGMLFSA-N 2 2 253.390 0.125 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000624228874 367795981 /nfs/dbraw/zinc/79/59/81/367795981.db2.gz FCRVDUHTQCLBQB-BNOWGMLFSA-N 2 2 253.390 0.125 20 0 CCADLP C[N@@H+]1CCN(c2nc(N)[nH+]c(N)n2)[C@@H](Cc2ccccc2)C1 ZINC000624352130 367843457 /nfs/dbraw/zinc/84/34/57/367843457.db2.gz JBVCWVQUEYEWIL-LBPRGKRZSA-N 2 2 299.382 0.060 20 0 CCADLP C[N@H+]1CCN(c2nc(N)[nH+]c(N)n2)[C@@H](Cc2ccccc2)C1 ZINC000624352130 367843460 /nfs/dbraw/zinc/84/34/60/367843460.db2.gz JBVCWVQUEYEWIL-LBPRGKRZSA-N 2 2 299.382 0.060 20 0 CCADLP O=C([C@H]1CCC[N@@H+]1C1CC1)N1CC[NH+](C2CC2)CC1 ZINC000336313398 296108011 /nfs/dbraw/zinc/10/80/11/296108011.db2.gz YTUUMEFINFXJPD-CQSZACIVSA-N 2 2 263.385 0.920 20 0 CCADLP O=C([C@H]1CCC[N@H+]1C1CC1)N1CC[NH+](C2CC2)CC1 ZINC000336313398 296108012 /nfs/dbraw/zinc/10/80/12/296108012.db2.gz YTUUMEFINFXJPD-CQSZACIVSA-N 2 2 263.385 0.920 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000624577350 367923566 /nfs/dbraw/zinc/92/35/66/367923566.db2.gz YMPRXVIXTQVFAT-ZIAGYGMSSA-N 2 2 296.415 0.197 20 0 CCADLP C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000624577350 367923567 /nfs/dbraw/zinc/92/35/67/367923567.db2.gz YMPRXVIXTQVFAT-ZIAGYGMSSA-N 2 2 296.415 0.197 20 0 CCADLP Cc1cc(NC[C@@H]2COCC[N@H+]2C)nc(C2CC2)[nH+]1 ZINC000624619411 367931409 /nfs/dbraw/zinc/93/14/09/367931409.db2.gz BTLNDERJEJWDMY-GFCCVEGCSA-N 2 2 262.357 0.827 20 0 CCADLP Cc1cc(NC[C@@H]2COCC[N@@H+]2C)nc(C2CC2)[nH+]1 ZINC000624619411 367931414 /nfs/dbraw/zinc/93/14/14/367931414.db2.gz BTLNDERJEJWDMY-GFCCVEGCSA-N 2 2 262.357 0.827 20 0 CCADLP C[C@H](CC(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)n1cc[nH+]c1 ZINC000566462991 291412636 /nfs/dbraw/zinc/41/26/36/291412636.db2.gz SAWDCJLNWROPOW-NEPJUHHUSA-N 2 2 295.387 0.017 20 0 CCADLP C[NH2+][C@@H](C)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000566475342 291415395 /nfs/dbraw/zinc/41/53/95/291415395.db2.gz YVGGJYRBMGPFLF-NSHDSACASA-N 2 2 262.357 0.906 20 0 CCADLP O[C@@]1(C[NH+]2CCC([NH+]3CCOCC3)CC2)CCCOC1 ZINC000625544107 368237736 /nfs/dbraw/zinc/23/77/36/368237736.db2.gz IBSDJFGKBFVAIU-OAHLLOKOSA-N 2 2 284.400 0.325 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C1)C1CC[NH+](CC(F)F)CC1 ZINC000566508816 291420078 /nfs/dbraw/zinc/42/00/78/291420078.db2.gz ZWBISGHHWCLJSN-JTQLQIEISA-N 2 2 261.316 0.442 20 0 CCADLP COC[C@@H](C[NH+]1CCC(C)([NH+]2CCOCC2)CC1)OC ZINC000625960596 368376340 /nfs/dbraw/zinc/37/63/40/368376340.db2.gz QDHPMOPSANVELH-CQSZACIVSA-N 2 2 286.416 0.835 20 0 CCADLP CCC(O)(CC)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000626109144 368443863 /nfs/dbraw/zinc/44/38/63/368443863.db2.gz FMAYPSMYQRPBDJ-UHFFFAOYSA-N 2 2 271.405 0.243 20 0 CCADLP CCC(O)(CC)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000626109144 368443872 /nfs/dbraw/zinc/44/38/72/368443872.db2.gz FMAYPSMYQRPBDJ-UHFFFAOYSA-N 2 2 271.405 0.243 20 0 CCADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@H]2CNC(=O)C2)CC1 ZINC000626089479 368436966 /nfs/dbraw/zinc/43/69/66/368436966.db2.gz SESLEQBBKIGESF-AWEZNQCLSA-N 2 2 295.427 0.699 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000626939312 368689406 /nfs/dbraw/zinc/68/94/06/368689406.db2.gz YSGSKWGTQFRJHB-WCQYABFASA-N 2 2 291.399 0.812 20 0 CCADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N[C@@H]1CC[NH2+]C1 ZINC000626932685 368685071 /nfs/dbraw/zinc/68/50/71/368685071.db2.gz YLXRKYQBYDRQQS-CYBMUJFWSA-N 2 2 289.383 0.843 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)CCC[NH+](C)C ZINC000632169779 370903516 /nfs/dbraw/zinc/90/35/16/370903516.db2.gz FMAXLQVMWCJBMP-VXGBXAGGSA-N 2 2 277.434 0.292 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)CCC[NH+](C)C ZINC000632169779 370903518 /nfs/dbraw/zinc/90/35/18/370903518.db2.gz FMAXLQVMWCJBMP-VXGBXAGGSA-N 2 2 277.434 0.292 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000627005333 368730248 /nfs/dbraw/zinc/73/02/48/368730248.db2.gz XFITXUBTNQRVBM-RWMBFGLXSA-N 2 2 289.383 0.710 20 0 CCADLP C[C@H]1C[C@H](NC(=O)N(C)CCOCC[NH3+])c2[nH+]ccn21 ZINC000627052672 368758627 /nfs/dbraw/zinc/75/86/27/368758627.db2.gz RUKLOSHPQMTFRS-QWRGUYRKSA-N 2 2 281.360 0.506 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)NCCOCCC[NH3+] ZINC000627048697 368755195 /nfs/dbraw/zinc/75/51/95/368755195.db2.gz JCQLNTFWCOJJKI-UHFFFAOYSA-N 2 2 269.349 0.068 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)N2CCn3c[nH+]cc3C2)C[NH2+]1 ZINC000627206749 368878029 /nfs/dbraw/zinc/87/80/29/368878029.db2.gz ILJLKADWNCMDBC-GHMZBOCLSA-N 2 2 263.345 0.549 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000627183425 368851909 /nfs/dbraw/zinc/85/19/09/368851909.db2.gz JVPVPAHKAIGHPH-YNEHKIRRSA-N 2 2 284.404 0.086 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000627183425 368851918 /nfs/dbraw/zinc/85/19/18/368851918.db2.gz JVPVPAHKAIGHPH-YNEHKIRRSA-N 2 2 284.404 0.086 20 0 CCADLP C[NH2+]CCC1CCN(C(=O)[C@@H]([NH3+])c2cscn2)CC1 ZINC000574276126 335006167 /nfs/dbraw/zinc/00/61/67/335006167.db2.gz IRQVWOLBCAZLKY-LBPRGKRZSA-N 2 2 282.413 0.991 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@H]21 ZINC000627652899 369066127 /nfs/dbraw/zinc/06/61/27/369066127.db2.gz XCGFBVFSIKXLHH-SCUASFONSA-N 2 2 274.368 0.464 20 0 CCADLP CC1(C)C[NH+](CC(=O)NC2CC([NH+]3CCOCC3)C2)C1 ZINC000627942181 369142651 /nfs/dbraw/zinc/14/26/51/369142651.db2.gz JIVYDRIMMYFAGU-UHFFFAOYSA-N 2 2 281.400 0.308 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000330736683 203170371 /nfs/dbraw/zinc/17/03/71/203170371.db2.gz NJWPPWMQTBTXJZ-OLZOCXBDSA-N 2 2 298.431 0.042 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000330736683 203170376 /nfs/dbraw/zinc/17/03/76/203170376.db2.gz NJWPPWMQTBTXJZ-OLZOCXBDSA-N 2 2 298.431 0.042 20 0 CCADLP CC(C)NC(=O)C[NH+](C)CC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000330736683 203170378 /nfs/dbraw/zinc/17/03/78/203170378.db2.gz NJWPPWMQTBTXJZ-OLZOCXBDSA-N 2 2 298.431 0.042 20 0 CCADLP CC(C)NC(=O)C[NH+](C)CC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000330736683 203170383 /nfs/dbraw/zinc/17/03/83/203170383.db2.gz NJWPPWMQTBTXJZ-OLZOCXBDSA-N 2 2 298.431 0.042 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000330736684 203171779 /nfs/dbraw/zinc/17/17/79/203171779.db2.gz NJWPPWMQTBTXJZ-QWHCGFSZSA-N 2 2 298.431 0.042 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000330736684 203171782 /nfs/dbraw/zinc/17/17/82/203171782.db2.gz NJWPPWMQTBTXJZ-QWHCGFSZSA-N 2 2 298.431 0.042 20 0 CCADLP CC(C)NC(=O)C[NH+](C)CC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000330736684 203171785 /nfs/dbraw/zinc/17/17/85/203171785.db2.gz NJWPPWMQTBTXJZ-QWHCGFSZSA-N 2 2 298.431 0.042 20 0 CCADLP CC(C)NC(=O)C[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000330736684 203171788 /nfs/dbraw/zinc/17/17/88/203171788.db2.gz NJWPPWMQTBTXJZ-QWHCGFSZSA-N 2 2 298.431 0.042 20 0 CCADLP CC[NH+]1CCC(NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000330744717 203182078 /nfs/dbraw/zinc/18/20/78/203182078.db2.gz SAZGKQDLDVASTK-UHFFFAOYSA-N 2 2 250.346 0.943 20 0 CCADLP OCC[NH+](CCO)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000628369842 369251760 /nfs/dbraw/zinc/25/17/60/369251760.db2.gz FNZJHZBFBJGRII-UHFFFAOYSA-N 2 2 267.354 0.720 20 0 CCADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)C(=O)NC(=O)NC(C)(C)C ZINC000420380658 299402292 /nfs/dbraw/zinc/40/22/92/299402292.db2.gz YNDBBIRUJVIPOR-NOOOWODRSA-N 2 2 298.431 0.975 20 0 CCADLP CC[N@@H+]1CCN(S(=O)(=O)CCC[NH+](C)C)[C@@H](C)C1 ZINC000632329892 370988849 /nfs/dbraw/zinc/98/88/49/370988849.db2.gz GMJAFCVANGCDED-LBPRGKRZSA-N 2 2 277.434 0.294 20 0 CCADLP CC[N@H+]1CCN(S(=O)(=O)CCC[NH+](C)C)[C@@H](C)C1 ZINC000632329892 370988853 /nfs/dbraw/zinc/98/88/53/370988853.db2.gz GMJAFCVANGCDED-LBPRGKRZSA-N 2 2 277.434 0.294 20 0 CCADLP CCNC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563436 369710526 /nfs/dbraw/zinc/71/05/26/369710526.db2.gz PSFUWFORTQEZMM-RKDXNWHRSA-N 2 2 267.295 0.582 20 0 CCADLP CCNC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629563436 369710528 /nfs/dbraw/zinc/71/05/28/369710528.db2.gz PSFUWFORTQEZMM-RKDXNWHRSA-N 2 2 267.295 0.582 20 0 CCADLP COc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c(OC)n1 ZINC000629579855 369722444 /nfs/dbraw/zinc/72/24/44/369722444.db2.gz KPIVCAAANJIVGN-CYBMUJFWSA-N 2 2 295.383 0.645 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629565022 369712847 /nfs/dbraw/zinc/71/28/47/369712847.db2.gz UMGIEWPELSWHNX-DCAQKATOSA-N 3 2 283.338 0.416 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629565022 369712850 /nfs/dbraw/zinc/71/28/50/369712850.db2.gz UMGIEWPELSWHNX-DCAQKATOSA-N 3 2 283.338 0.416 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cncc(OC)n2)C1 ZINC000629508348 369685573 /nfs/dbraw/zinc/68/55/73/369685573.db2.gz RQKLWBAITYQGCM-NSHDSACASA-N 2 2 250.346 0.917 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cncc(OC)n2)C1 ZINC000629508348 369685578 /nfs/dbraw/zinc/68/55/78/369685578.db2.gz RQKLWBAITYQGCM-NSHDSACASA-N 2 2 250.346 0.917 20 0 CCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CCS(=O)(=O)c1ccccn1 ZINC000629513526 369687291 /nfs/dbraw/zinc/68/72/91/369687291.db2.gz HRVGZRPHLLADRI-CYBMUJFWSA-N 2 2 285.413 0.818 20 0 CCADLP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000629512744 369688119 /nfs/dbraw/zinc/68/81/19/369688119.db2.gz DYBGKBARWPCKLK-UTUOFQBUSA-N 3 2 256.394 0.042 20 0 CCADLP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000629512744 369688123 /nfs/dbraw/zinc/68/81/23/369688123.db2.gz DYBGKBARWPCKLK-UTUOFQBUSA-N 3 2 256.394 0.042 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]CC2([NH3+])CCOCC2)[C@H]2CCC[C@H]21 ZINC000629521284 369690574 /nfs/dbraw/zinc/69/05/74/369690574.db2.gz PHDYNYOKJNATNV-HZSPNIEDSA-N 3 2 267.417 0.957 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]CC2([NH3+])CCOCC2)[C@H]2CCC[C@H]21 ZINC000629521284 369690577 /nfs/dbraw/zinc/69/05/77/369690577.db2.gz PHDYNYOKJNATNV-HZSPNIEDSA-N 3 2 267.417 0.957 20 0 CCADLP [NH3+]CCCOCC[NH2+][C@@H](c1nnc[nH]1)c1ccc(F)cc1 ZINC000629539317 369696118 /nfs/dbraw/zinc/69/61/18/369696118.db2.gz PQYXNMGHNCFGEV-CYBMUJFWSA-N 2 2 293.346 0.988 20 0 CCADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000629545728 369699355 /nfs/dbraw/zinc/69/93/55/369699355.db2.gz OLOVIHLDYOROEM-UHIISALHSA-N 2 2 297.424 0.996 20 0 CCADLP C[NH2+]CCOCC[N@H+](C)Cc1ncc(COC)s1 ZINC000629654412 369749437 /nfs/dbraw/zinc/74/94/37/369749437.db2.gz QTBRDICBGXCBAP-UHFFFAOYSA-N 2 2 273.402 0.957 20 0 CCADLP C[NH2+]CCOCC[N@@H+](C)Cc1ncc(COC)s1 ZINC000629654412 369749442 /nfs/dbraw/zinc/74/94/42/369749442.db2.gz QTBRDICBGXCBAP-UHFFFAOYSA-N 2 2 273.402 0.957 20 0 CCADLP COCC[NH+]1CCC(NC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000276522888 193367304 /nfs/dbraw/zinc/36/73/04/193367304.db2.gz CYLUPLDFULWROK-NSCUHMNNSA-N 2 2 278.356 0.650 20 0 CCADLP C[N@H+](CCOCC[NH3+])Cc1nnc(C2CC2)n1C1CC1 ZINC000629581223 369725273 /nfs/dbraw/zinc/72/52/73/369725273.db2.gz SBBKKAOBXXPORV-UHFFFAOYSA-N 2 2 279.388 0.898 20 0 CCADLP C[N@@H+](CCOCC[NH3+])Cc1nnc(C2CC2)n1C1CC1 ZINC000629581223 369725275 /nfs/dbraw/zinc/72/52/75/369725275.db2.gz SBBKKAOBXXPORV-UHFFFAOYSA-N 2 2 279.388 0.898 20 0 CCADLP CC(C)(C)n1nnc(CC[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)n1 ZINC000629592337 369732115 /nfs/dbraw/zinc/73/21/15/369732115.db2.gz AMHVQBYIKVCUTA-GASCZTMLSA-N 2 2 292.431 0.902 20 0 CCADLP CC(C)(C)n1nnc(CC[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)n1 ZINC000629592337 369732119 /nfs/dbraw/zinc/73/21/19/369732119.db2.gz AMHVQBYIKVCUTA-GASCZTMLSA-N 2 2 292.431 0.902 20 0 CCADLP C[NH+](C)[C@H](C(=O)NCC[N@@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000629913204 369821853 /nfs/dbraw/zinc/82/18/53/369821853.db2.gz WJAPSEWMTJUXQR-GJZGRUSLSA-N 2 2 291.395 0.472 20 0 CCADLP C[NH+](C)[C@H](C(=O)NCC[N@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000629913204 369821856 /nfs/dbraw/zinc/82/18/56/369821856.db2.gz WJAPSEWMTJUXQR-GJZGRUSLSA-N 2 2 291.395 0.472 20 0 CCADLP C[N@H+](CC(=O)N1CCC[C@H]([NH+]2CCOCC2)C1)C1CCC1 ZINC000629995752 369880783 /nfs/dbraw/zinc/88/07/83/369880783.db2.gz JGIJSSJLMDBWGG-HNNXBMFYSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@@H+](CC(=O)N1CCC[C@H]([NH+]2CCOCC2)C1)C1CCC1 ZINC000629995752 369880787 /nfs/dbraw/zinc/88/07/87/369880787.db2.gz JGIJSSJLMDBWGG-HNNXBMFYSA-N 2 2 295.427 0.794 20 0 CCADLP [NH3+]CCNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000567469059 291485055 /nfs/dbraw/zinc/48/50/55/291485055.db2.gz NTKBQKBDCBOLDF-UHFFFAOYSA-N 2 2 258.325 0.549 20 0 CCADLP CO[C@H]1C[N@H+](CCC(=O)NC2CCCC2)[C@@](C)(C[NH3+])C1 ZINC000630362555 370064770 /nfs/dbraw/zinc/06/47/70/370064770.db2.gz XGOWGEYNPMCYQL-UKRRQHHQSA-N 2 2 283.416 0.873 20 0 CCADLP CO[C@H]1C[N@@H+](CCC(=O)NC2CCCC2)[C@@](C)(C[NH3+])C1 ZINC000630362555 370064773 /nfs/dbraw/zinc/06/47/73/370064773.db2.gz XGOWGEYNPMCYQL-UKRRQHHQSA-N 2 2 283.416 0.873 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCC[NH+]1CCCCC1 ZINC000630396887 370093664 /nfs/dbraw/zinc/09/36/64/370093664.db2.gz SBSNAWNBCCJKPK-ZDUSSCGKSA-N 2 2 284.404 0.102 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)NCC[NH+]1CCCCC1 ZINC000630396885 370093917 /nfs/dbraw/zinc/09/39/17/370093917.db2.gz SBSNAWNBCCJKPK-CYBMUJFWSA-N 2 2 284.404 0.102 20 0 CCADLP C[C@H](O)[C@H]1CCN(c2cc(N[C@@H]3CC[NH2+][C@H]3C)nc[nH+]2)C1 ZINC000630546572 370162738 /nfs/dbraw/zinc/16/27/38/370162738.db2.gz XHTUXJLAVUHKRT-ZDEQEGDKSA-N 2 2 291.399 0.846 20 0 CCADLP CCOCc1cn(CC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000630611352 370209671 /nfs/dbraw/zinc/20/96/71/370209671.db2.gz DSCMWMMTXSQWKM-UHFFFAOYSA-N 2 2 269.393 0.698 20 0 CCADLP CCOCc1cn(CC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000630611352 370209675 /nfs/dbraw/zinc/20/96/75/370209675.db2.gz DSCMWMMTXSQWKM-UHFFFAOYSA-N 2 2 269.393 0.698 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000630743852 370256592 /nfs/dbraw/zinc/25/65/92/370256592.db2.gz RSDGGBBMPDJKGU-MELADBBJSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC[N@H+]1C ZINC000630743852 370256598 /nfs/dbraw/zinc/25/65/98/370256598.db2.gz RSDGGBBMPDJKGU-MELADBBJSA-N 2 2 283.416 0.554 20 0 CCADLP COc1cncc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)c1C ZINC000631100359 370384573 /nfs/dbraw/zinc/38/45/73/370384573.db2.gz SYIHMOCFCJOPQL-CQSZACIVSA-N 2 2 267.373 0.801 20 0 CCADLP CNS(=O)(=O)CCC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000631229859 370430861 /nfs/dbraw/zinc/43/08/61/370430861.db2.gz QPPKAPBLIQBEBC-QWRGUYRKSA-N 2 2 275.418 0.141 20 0 CCADLP CNS(=O)(=O)CCC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000631229859 370430864 /nfs/dbraw/zinc/43/08/64/370430864.db2.gz QPPKAPBLIQBEBC-QWRGUYRKSA-N 2 2 275.418 0.141 20 0 CCADLP C[C@@H](C[NH2+]Cc1cn(C[C@H]2CCOC2)nn1)C[NH+](C)C ZINC000631139899 370397589 /nfs/dbraw/zinc/39/75/89/370397589.db2.gz KTFGDSBAMFJIMX-QWHCGFSZSA-N 2 2 281.404 0.602 20 0 CCADLP Cc1nc(N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)nc(N)[nH+]1 ZINC000631166853 370409065 /nfs/dbraw/zinc/40/90/65/370409065.db2.gz BWXROTUXRQNGGL-VXGBXAGGSA-N 2 2 292.387 0.648 20 0 CCADLP Cc1nc(NC[C@@H]2[N@H+](C)CCCC2(C)C)nc(N)[nH+]1 ZINC000631255497 370439860 /nfs/dbraw/zinc/43/98/60/370439860.db2.gz RAKNDEHWBFCJGF-JTQLQIEISA-N 2 2 264.377 0.547 20 0 CCADLP Cc1nc(NC[C@@H]2[N@@H+](C)CCCC2(C)C)nc(N)[nH+]1 ZINC000631255497 370439864 /nfs/dbraw/zinc/43/98/64/370439864.db2.gz RAKNDEHWBFCJGF-JTQLQIEISA-N 2 2 264.377 0.547 20 0 CCADLP Cc1nocc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000631258834 370442179 /nfs/dbraw/zinc/44/21/79/370442179.db2.gz ZATYUTHXZGZVKN-GFCCVEGCSA-N 2 2 292.383 0.881 20 0 CCADLP Cc1nocc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000631258834 370442182 /nfs/dbraw/zinc/44/21/82/370442182.db2.gz ZATYUTHXZGZVKN-GFCCVEGCSA-N 2 2 292.383 0.881 20 0 CCADLP CCCN(CC[NH+]1CCCC1)c1nc(C)[nH+]c(N)n1 ZINC000631274475 370448584 /nfs/dbraw/zinc/44/85/84/370448584.db2.gz MRJZNDPCILZTHW-UHFFFAOYSA-N 2 2 264.377 0.905 20 0 CCADLP Cn1ncc2c1nc[nH+]c2N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000631344831 370486068 /nfs/dbraw/zinc/48/60/68/370486068.db2.gz UTJZKIGIJKAKPZ-CQSZACIVSA-N 2 2 290.371 0.256 20 0 CCADLP CC[NH+]1CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000631638036 370619763 /nfs/dbraw/zinc/61/97/63/370619763.db2.gz VZADMUULXKHNRT-UHFFFAOYSA-N 2 2 289.445 0.440 20 0 CCADLP CN(Cc1[nH+]ccn1C)S(=O)(=O)CCC[NH+](C)C ZINC000631681150 370634088 /nfs/dbraw/zinc/63/40/88/370634088.db2.gz YUPPYGIJWNVOHE-UHFFFAOYSA-N 2 2 274.390 0.133 20 0 CCADLP C[C@@H]1CN(S(=O)(=O)CC2([NH+](C)C)CC2)C[C@H](C)[N@H+]1C ZINC000632372788 371016682 /nfs/dbraw/zinc/01/66/82/371016682.db2.gz DZUGFQIXCATLCR-TXEJJXNPSA-N 2 2 289.445 0.435 20 0 CCADLP C[C@@H]1CN(S(=O)(=O)CC2([NH+](C)C)CC2)C[C@H](C)[N@@H+]1C ZINC000632372788 371016686 /nfs/dbraw/zinc/01/66/86/371016686.db2.gz DZUGFQIXCATLCR-TXEJJXNPSA-N 2 2 289.445 0.435 20 0 CCADLP O=c1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)nc(C2CC2)[nH]1 ZINC000656416952 412790433 /nfs/dbraw/zinc/79/04/33/412790433.db2.gz DAEHHCPCFHYAQM-PHIMTYICSA-N 2 2 260.341 0.711 20 0 CCADLP Cc1ccc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)[nH+]1 ZINC000633032381 371367882 /nfs/dbraw/zinc/36/78/82/371367882.db2.gz ICQUIMDUADEGFW-TXEJJXNPSA-N 2 2 288.351 0.600 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000633338012 371492053 /nfs/dbraw/zinc/49/20/53/371492053.db2.gz NRUYEVONVXRDAI-PHIMTYICSA-N 2 2 265.361 0.891 20 0 CCADLP C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)C1([NH+]2CCOCC2)CC1 ZINC000633202186 371436577 /nfs/dbraw/zinc/43/65/77/371436577.db2.gz SBFSJSOESCZFRF-QWHCGFSZSA-N 2 2 281.400 0.402 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[N@H+](C)CC1 ZINC000337354759 214024064 /nfs/dbraw/zinc/02/40/64/214024064.db2.gz AEFUKSUXEHJSAH-CYBMUJFWSA-N 2 2 284.404 0.054 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[N@@H+](C)CC1 ZINC000337354759 214024066 /nfs/dbraw/zinc/02/40/66/214024066.db2.gz AEFUKSUXEHJSAH-CYBMUJFWSA-N 2 2 284.404 0.054 20 0 CCADLP CC[C@@H](C)OCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000337342057 214018855 /nfs/dbraw/zinc/01/88/55/214018855.db2.gz VSHFYCCPOSKJMV-CYBMUJFWSA-N 2 2 285.432 0.944 20 0 CCADLP CC[C@H](O)CC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634194892 371944943 /nfs/dbraw/zinc/94/49/43/371944943.db2.gz XJFGKCSBWJGUOE-ZDUSSCGKSA-N 2 2 292.383 0.933 20 0 CCADLP C[C@H]([NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)C(=O)NC(=O)NC(C)(C)C ZINC000420380660 299429450 /nfs/dbraw/zinc/42/94/50/299429450.db2.gz YNDBBIRUJVIPOR-WHOHXGKFSA-N 2 2 298.431 0.975 20 0 CCADLP C[C@H]1CC[C@@H](C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)O1 ZINC000634688472 372134028 /nfs/dbraw/zinc/13/40/28/372134028.db2.gz TZPFWKCRLQDBPI-DOERSZECSA-N 2 2 264.373 0.714 20 0 CCADLP C[C@H]1CC[C@@H](C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)O1 ZINC000634688472 372134033 /nfs/dbraw/zinc/13/40/33/372134033.db2.gz TZPFWKCRLQDBPI-DOERSZECSA-N 2 2 264.373 0.714 20 0 CCADLP COC[C@@H](CO)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634720673 372165723 /nfs/dbraw/zinc/16/57/23/372165723.db2.gz NTJPRWDWHIJCFT-HZPDHXFCSA-N 2 2 294.395 0.220 20 0 CCADLP COC[C@@H](CO)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634720673 372165728 /nfs/dbraw/zinc/16/57/28/372165728.db2.gz NTJPRWDWHIJCFT-HZPDHXFCSA-N 2 2 294.395 0.220 20 0 CCADLP O=C(N[C@]12CCC[C@@H]1C[NH2+]C2)[C@H]1CCc2[nH+]ccn2C1 ZINC000634769919 372218338 /nfs/dbraw/zinc/21/83/38/372218338.db2.gz SSKMPTPVRUUKIG-ZOWXZIJZSA-N 2 2 274.368 0.704 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCCCN(C)C1=O ZINC000634744112 372190000 /nfs/dbraw/zinc/19/00/00/372190000.db2.gz NNIGJAMQRDDWAY-UONOGXRCSA-N 2 2 285.432 0.630 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCCCN(C)C1=O ZINC000634744112 372190005 /nfs/dbraw/zinc/19/00/05/372190005.db2.gz NNIGJAMQRDDWAY-UONOGXRCSA-N 2 2 285.432 0.630 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000634744112 372190009 /nfs/dbraw/zinc/19/00/09/372190009.db2.gz NNIGJAMQRDDWAY-UONOGXRCSA-N 2 2 285.432 0.630 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000634744112 372190013 /nfs/dbraw/zinc/19/00/13/372190013.db2.gz NNIGJAMQRDDWAY-UONOGXRCSA-N 2 2 285.432 0.630 20 0 CCADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CCC[NH2+]CC3)nc[nH+]2)C1 ZINC000634807210 372246226 /nfs/dbraw/zinc/24/62/26/372246226.db2.gz BWHDMDYHBWWIFH-QWHCGFSZSA-N 2 2 291.399 0.483 20 0 CCADLP Cn1ncc2c1nc(N)[nH+]c2N1CCCC[C@H]1CC[NH3+] ZINC000634808921 372249223 /nfs/dbraw/zinc/24/92/23/372249223.db2.gz GOWMCZZEACSGES-VIFPVBQESA-N 2 2 275.360 0.484 20 0 CCADLP [NH3+]CC[C@H]1CCCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000634808422 372249488 /nfs/dbraw/zinc/24/94/88/372249488.db2.gz RUCHYVDJPYIGCR-SNVBAGLBSA-N 2 2 263.345 0.846 20 0 CCADLP [NH3+]CC[C@H]1CCCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000634808422 372249495 /nfs/dbraw/zinc/24/94/95/372249495.db2.gz RUCHYVDJPYIGCR-SNVBAGLBSA-N 2 2 263.345 0.846 20 0 CCADLP CC1(O)CCN(c2cc(N[C@H]3CC[NH2+]C3)nc[nH+]2)CC1 ZINC000634809406 372251685 /nfs/dbraw/zinc/25/16/85/372251685.db2.gz RHYKRKCJOORALN-NSHDSACASA-N 2 2 277.372 0.602 20 0 CCADLP Nc1[nH+]cnc(N2CC[C@@H]3OCC[NH2+][C@@H]3C2)c1Cl ZINC000634809715 372252052 /nfs/dbraw/zinc/25/20/52/372252052.db2.gz YQNDEFCOEXWYEE-SFYZADRCSA-N 2 2 269.736 0.279 20 0 CCADLP Cn1ncc2c1nc(N)[nH+]c2N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000634809794 372253344 /nfs/dbraw/zinc/25/33/44/372253344.db2.gz ASNOQSVYAFXZJG-AOOOYVTPSA-N 2 2 287.371 0.212 20 0 CCADLP C[C@@]1(C[NH+]2CCN(CCc3cnccn3)CC2)CC[NH2+]C1 ZINC000635002293 372337998 /nfs/dbraw/zinc/33/79/98/372337998.db2.gz PNDGQTISJVSTNX-MRXNPFEDSA-N 2 2 289.427 0.636 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H](n1cncn1)C(F)(F)F ZINC000635016465 372346605 /nfs/dbraw/zinc/34/66/05/372346605.db2.gz BTIWNEHTIMFXMN-UTLUCORTSA-N 2 2 277.294 0.969 20 0 CCADLP C[N@@H+]1CC[C@H](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000635110071 372375444 /nfs/dbraw/zinc/37/54/44/372375444.db2.gz PLZKNMCCWJXBMF-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP C[N@H+]1CC[C@H](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000635110071 372375447 /nfs/dbraw/zinc/37/54/47/372375447.db2.gz PLZKNMCCWJXBMF-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP CCc1c[nH]c(CC(=O)NCC[NH+]2CCCC2)[nH+]1 ZINC000635136349 372389704 /nfs/dbraw/zinc/38/97/04/372389704.db2.gz VAXSBFFIPQNVJK-UHFFFAOYSA-N 2 2 250.346 0.727 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635327414 372463078 /nfs/dbraw/zinc/46/30/78/372463078.db2.gz VKXVGVNLLLBNJG-NWDGAFQWSA-N 2 2 250.346 0.730 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635327414 372463086 /nfs/dbraw/zinc/46/30/86/372463086.db2.gz VKXVGVNLLLBNJG-NWDGAFQWSA-N 2 2 250.346 0.730 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)C23CCC[NH+](CCC2)C3)CCO1 ZINC000635464148 372534137 /nfs/dbraw/zinc/53/41/37/372534137.db2.gz DHVYQHGBVYDPPM-AWEZNQCLSA-N 2 2 295.427 0.699 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)C23CCC[NH+](CCC2)C3)CCO1 ZINC000635464148 372534144 /nfs/dbraw/zinc/53/41/44/372534144.db2.gz DHVYQHGBVYDPPM-AWEZNQCLSA-N 2 2 295.427 0.699 20 0 CCADLP C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000635506877 372570303 /nfs/dbraw/zinc/57/03/03/372570303.db2.gz WRHUEDUTHBYMSZ-IHRRRGAJSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000635506877 372570305 /nfs/dbraw/zinc/57/03/05/372570305.db2.gz WRHUEDUTHBYMSZ-IHRRRGAJSA-N 2 2 283.416 0.554 20 0 CCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCC[NH2+]CC1 ZINC000333143484 205067978 /nfs/dbraw/zinc/06/79/78/205067978.db2.gz DIIJLCFEBMZHQA-CYBMUJFWSA-N 2 2 289.383 0.665 20 0 CCADLP CC(C)C[C@@H](C(=O)NC[C@](C)(O)C[NH+](C)C)n1cc[nH+]c1 ZINC000635727537 372822668 /nfs/dbraw/zinc/82/26/68/372822668.db2.gz LXWNTJBPCJVYCY-ZFWWWQNUSA-N 2 2 296.415 0.899 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000333234755 205141006 /nfs/dbraw/zinc/14/10/06/205141006.db2.gz CSVCVMPFDWHNQX-JHJVBQTASA-N 2 2 283.416 0.742 20 0 CCADLP C[C@H](CC(=O)N[C@H]1CC[NH2+]C[C@H]1C)n1cc[nH+]c1 ZINC000568153371 291556840 /nfs/dbraw/zinc/55/68/40/291556840.db2.gz CLMHIUUHYCMZGP-UTUOFQBUSA-N 2 2 250.346 0.948 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCC(=O)NC23CCC3)n1C ZINC000333374829 205269437 /nfs/dbraw/zinc/26/94/37/205269437.db2.gz ANUXBORYKZFOFE-GFCCVEGCSA-N 2 2 291.399 0.777 20 0 CCADLP C[C@H]([C@H](C)NC(=O)NC[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000333396811 205286543 /nfs/dbraw/zinc/28/65/43/205286543.db2.gz PKWCBKJKDWAWMZ-BFHYXJOUSA-N 2 2 298.431 0.394 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000333459508 205337173 /nfs/dbraw/zinc/33/71/73/205337173.db2.gz PGYWOBRQLLZVAP-CYBMUJFWSA-N 2 2 296.415 0.245 20 0 CCADLP C[N@H+]1CCC[C@@H]1CNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000333459508 205337177 /nfs/dbraw/zinc/33/71/77/205337177.db2.gz PGYWOBRQLLZVAP-CYBMUJFWSA-N 2 2 296.415 0.245 20 0 CCADLP CCc1c[nH]c(CC(=O)Nc2ccnn2CC[NH+](C)C)[nH+]1 ZINC000635968058 373176405 /nfs/dbraw/zinc/17/64/05/373176405.db2.gz QLQXYTCFRUEEHK-UHFFFAOYSA-N 2 2 290.371 0.911 20 0 CCADLP C[C@H](C(=O)N(C)C(C)(C)C[NH+]1CCOCC1)[NH+](C)C ZINC000636029932 373274478 /nfs/dbraw/zinc/27/44/78/373274478.db2.gz PJOQTNWUARLLMO-GFCCVEGCSA-N 2 2 271.405 0.506 20 0 CCADLP C[NH+](C)[C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCOCC2)C1(C)C ZINC000636091024 373348062 /nfs/dbraw/zinc/34/80/62/373348062.db2.gz JWOVXWKLSQREQW-OLZOCXBDSA-N 2 2 297.443 0.942 20 0 CCADLP O=C(C[C@H]1CCC[NH2+]C1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000568230694 291570406 /nfs/dbraw/zinc/57/04/06/291570406.db2.gz BDOBRRWBBUQHKQ-CYBMUJFWSA-N 2 2 291.399 0.444 20 0 CCADLP CC(C)C[C@H](C(=O)NCC[N@@H+]1CC[C@H](O)C1)n1cc[nH+]c1 ZINC000636292220 373527235 /nfs/dbraw/zinc/52/72/35/373527235.db2.gz QXZNQIBYXDSXJH-UONOGXRCSA-N 2 2 294.399 0.653 20 0 CCADLP CC(C)C[C@H](C(=O)NCC[N@H+]1CC[C@H](O)C1)n1cc[nH+]c1 ZINC000636292220 373527249 /nfs/dbraw/zinc/52/72/49/373527249.db2.gz QXZNQIBYXDSXJH-UONOGXRCSA-N 2 2 294.399 0.653 20 0 CCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@H]3C[C@@H](O)C3)c2)CC1 ZINC000636313627 373540125 /nfs/dbraw/zinc/54/01/25/373540125.db2.gz VDZGFJZFXGLKAC-BJHJDKERSA-N 2 2 290.367 0.543 20 0 CCADLP C[NH+]1CCC(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1 ZINC000636469046 373615493 /nfs/dbraw/zinc/61/54/93/373615493.db2.gz ZNJWPUJNSMYOGB-LLVKDONJSA-N 2 2 263.345 0.201 20 0 CCADLP C[C@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CC[NH+](C)CC1 ZINC000636818226 373771474 /nfs/dbraw/zinc/77/14/74/373771474.db2.gz XCCOCZKBAUOXGM-AAEUAGOBSA-N 2 2 291.399 0.837 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)N(CC[NH+](C)C)C(C)C ZINC000637039314 373896168 /nfs/dbraw/zinc/89/61/68/373896168.db2.gz WMBPSRYQRMYVAD-ZDUSSCGKSA-N 2 2 271.405 0.506 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)N(CC[NH+](C)C)C(C)C ZINC000637039314 373896173 /nfs/dbraw/zinc/89/61/73/373896173.db2.gz WMBPSRYQRMYVAD-ZDUSSCGKSA-N 2 2 271.405 0.506 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000289493904 197375718 /nfs/dbraw/zinc/37/57/18/197375718.db2.gz CRPOQMLDRCLLAS-CYBMUJFWSA-N 2 2 262.357 0.706 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000289493904 197375719 /nfs/dbraw/zinc/37/57/19/197375719.db2.gz CRPOQMLDRCLLAS-CYBMUJFWSA-N 2 2 262.357 0.706 20 0 CCADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC[C@H]1COCC[NH+]1C ZINC000637441895 374161033 /nfs/dbraw/zinc/16/10/33/374161033.db2.gz BSXHYCSYGUVABA-KBPBESRZSA-N 2 2 298.431 0.300 20 0 CCADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC[C@H]1COCC[NH+]1C ZINC000637441895 374161038 /nfs/dbraw/zinc/16/10/38/374161038.db2.gz BSXHYCSYGUVABA-KBPBESRZSA-N 2 2 298.431 0.300 20 0 CCADLP CN(C[C@H]1CCC[NH+](C)C1)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637441895 374161045 /nfs/dbraw/zinc/16/10/45/374161045.db2.gz BSXHYCSYGUVABA-KBPBESRZSA-N 2 2 298.431 0.300 20 0 CCADLP CN(C[C@H]1CCC[NH+](C)C1)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000637441895 374161050 /nfs/dbraw/zinc/16/10/50/374161050.db2.gz BSXHYCSYGUVABA-KBPBESRZSA-N 2 2 298.431 0.300 20 0 CCADLP CCc1c[nH]c(CC(=O)NCC2CC[NH2+]CC2)[nH+]1 ZINC000637806718 374337980 /nfs/dbraw/zinc/33/79/80/374337980.db2.gz MLSAYNPUHIKKMQ-UHFFFAOYSA-N 2 2 250.346 0.630 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000637819984 374356933 /nfs/dbraw/zinc/35/69/33/374356933.db2.gz LEKZMBPXSYJZBS-GXSJLCMTSA-N 2 2 250.346 0.765 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000637819984 374356939 /nfs/dbraw/zinc/35/69/39/374356939.db2.gz LEKZMBPXSYJZBS-GXSJLCMTSA-N 2 2 250.346 0.765 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@@H]1CCC[NH2+]1)CC2 ZINC000637827337 374366549 /nfs/dbraw/zinc/36/65/49/374366549.db2.gz PZNLLXKNYUTAAT-NEPJUHHUSA-N 2 2 262.357 0.622 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NCC[NH2+]C1CC1)CC2 ZINC000637828015 374369468 /nfs/dbraw/zinc/36/94/68/374369468.db2.gz NDQZNWXFHKSCHF-LLVKDONJSA-N 2 2 262.357 0.622 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NCC[C@@H]1CC[NH2+]C1)CC2 ZINC000637832115 374375662 /nfs/dbraw/zinc/37/56/62/374375662.db2.gz GCBTXRWTBXQIRY-QWHCGFSZSA-N 2 2 276.384 0.870 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CCC[C@H]2C[NH2+]C)[nH+]1 ZINC000637862884 374422966 /nfs/dbraw/zinc/42/29/66/374422966.db2.gz QWEGBBNREJLGPQ-NSHDSACASA-N 2 2 250.346 0.725 20 0 CCADLP CCOCC[NH+]1CCN(CC(C)(C)[NH+]2CCOCC2)CC1 ZINC000637892331 374455551 /nfs/dbraw/zinc/45/55/51/374455551.db2.gz PQNKUNFVCCGARM-UHFFFAOYSA-N 2 2 299.459 0.751 20 0 CCADLP OCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000574511104 335024806 /nfs/dbraw/zinc/02/48/06/335024806.db2.gz YAZADBWAGBXALX-CYUUQNCZSA-N 2 2 268.401 0.894 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1CN(C)Cc1c[nH+]c(N)nc1N ZINC000638057905 374600570 /nfs/dbraw/zinc/60/05/70/374600570.db2.gz DHKJREFXYHHFFX-LLVKDONJSA-N 2 2 264.377 0.218 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CN(C)Cc1c[nH+]c(N)nc1N ZINC000638057905 374600576 /nfs/dbraw/zinc/60/05/76/374600576.db2.gz DHKJREFXYHHFFX-LLVKDONJSA-N 2 2 264.377 0.218 20 0 CCADLP CC[NH2+][C@H](C)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000638056853 374601743 /nfs/dbraw/zinc/60/17/43/374601743.db2.gz NXXJQMKPYLARFQ-GFCCVEGCSA-N 2 2 292.383 0.532 20 0 CCADLP [NH3+]C[C@@]1(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCCOC1 ZINC000638077422 374633303 /nfs/dbraw/zinc/63/33/03/374633303.db2.gz SHRCMOHSAALLCG-DOMZBBRYSA-N 2 2 292.383 0.871 20 0 CCADLP CC[NH2+][C@H](C)C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000638078097 374634993 /nfs/dbraw/zinc/63/49/93/374634993.db2.gz ZIGQYCIBEJUHTJ-SECBINFHSA-N 2 2 283.376 0.481 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000638061699 374606842 /nfs/dbraw/zinc/60/68/42/374606842.db2.gz LJWZZZVXZJWEGF-LBPRGKRZSA-N 2 2 292.383 0.532 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@]2(C[NH3+])CCCOC2)c[nH+]1 ZINC000638069264 374616356 /nfs/dbraw/zinc/61/63/56/374616356.db2.gz OHNWLSYPOSRXMY-HNNXBMFYSA-N 2 2 292.383 0.519 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000638098791 374661324 /nfs/dbraw/zinc/66/13/24/374661324.db2.gz OYNJKLBFOIWLGP-UHFFFAOYSA-N 2 2 295.383 0.887 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000638098791 374661330 /nfs/dbraw/zinc/66/13/30/374661330.db2.gz OYNJKLBFOIWLGP-UHFFFAOYSA-N 2 2 295.383 0.887 20 0 CCADLP C[C@H](NC(=O)C1=CC[C@H]([NH3+])C1)[C@H](C)[NH+]1CCOCC1 ZINC000638101717 374665958 /nfs/dbraw/zinc/66/59/58/374665958.db2.gz RDGQSUBCUCCKSD-GVXVVHGQSA-N 2 2 267.373 0.259 20 0 CCADLP O=C(Cc1cccc2c1CC[NH2+]C2)NCCc1[nH]cc[nH+]1 ZINC000638113620 374680163 /nfs/dbraw/zinc/68/01/63/374680163.db2.gz QLJBPVKRPRCVFB-UHFFFAOYSA-N 2 2 284.363 0.957 20 0 CCADLP CCc1c[nH]c(CC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)[nH+]1 ZINC000638145616 374716364 /nfs/dbraw/zinc/71/63/64/374716364.db2.gz MGKXXAOPKZFTGE-NXEZZACHSA-N 2 2 250.346 0.710 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@H]2CC[NH2+][C@H](C)C2)[nH+]1 ZINC000638209912 374797185 /nfs/dbraw/zinc/79/71/85/374797185.db2.gz FUKKOHXSAPRSSA-KOLCDFICSA-N 2 2 250.346 0.771 20 0 CCADLP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)NCC[NH+](C)C ZINC000638227233 374815692 /nfs/dbraw/zinc/81/56/92/374815692.db2.gz OGMRNTMKPWLYCZ-CQSZACIVSA-N 2 2 278.400 0.124 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000638269135 374869829 /nfs/dbraw/zinc/86/98/29/374869829.db2.gz WBADZAXKWWFJFH-QMMMGPOBSA-N 2 2 264.251 0.657 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000638269135 374869832 /nfs/dbraw/zinc/86/98/32/374869832.db2.gz WBADZAXKWWFJFH-QMMMGPOBSA-N 2 2 264.251 0.657 20 0 CCADLP COC[C@@]1(C(=O)NCc2c[nH+]c[nH]2)CCCC[NH2+]1 ZINC000638280727 374887441 /nfs/dbraw/zinc/88/74/41/374887441.db2.gz DMYOOWFHDDPREQ-GFCCVEGCSA-N 2 2 252.318 0.185 20 0 CCADLP COC[C@@]1(C(=O)NCc2c[nH]c[nH+]2)CCCC[NH2+]1 ZINC000638280727 374887450 /nfs/dbraw/zinc/88/74/50/374887450.db2.gz DMYOOWFHDDPREQ-GFCCVEGCSA-N 2 2 252.318 0.185 20 0 CCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cnc(C[NH3+])nc1 ZINC000638282213 374890104 /nfs/dbraw/zinc/89/01/04/374890104.db2.gz BZLNNNJOEAYRLZ-LBPRGKRZSA-N 2 2 277.372 0.348 20 0 CCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1cnc(C[NH3+])nc1 ZINC000638282213 374890106 /nfs/dbraw/zinc/89/01/06/374890106.db2.gz BZLNNNJOEAYRLZ-LBPRGKRZSA-N 2 2 277.372 0.348 20 0 CCADLP C[C@H](C(=O)Nc1ccc2c(c1)C[NH2+]C2)N1CC[NH2+]CC1=O ZINC000638259723 374856929 /nfs/dbraw/zinc/85/69/29/374856929.db2.gz LHSPYECOSAWKMV-SNVBAGLBSA-N 2 2 288.351 0.049 20 0 CCADLP Nc1nc(N)c(CNCC[NH+]2CCCCCC2)c[nH+]1 ZINC000638335114 374936611 /nfs/dbraw/zinc/93/66/11/374936611.db2.gz GTDBJNJMWPXUBQ-UHFFFAOYSA-N 2 2 264.377 0.267 20 0 CCADLP C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@@H]1C[NH3+] ZINC000638344685 374945099 /nfs/dbraw/zinc/94/50/99/374945099.db2.gz VARCCKUAQXULSN-NNYUYHANSA-N 2 2 262.357 0.957 20 0 CCADLP C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@@H]1C[NH3+] ZINC000638344685 374945106 /nfs/dbraw/zinc/94/51/06/374945106.db2.gz VARCCKUAQXULSN-NNYUYHANSA-N 2 2 262.357 0.957 20 0 CCADLP C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C[NH3+] ZINC000638344682 374946309 /nfs/dbraw/zinc/94/63/09/374946309.db2.gz VARCCKUAQXULSN-IRCOFANPSA-N 2 2 262.357 0.957 20 0 CCADLP C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C[NH3+] ZINC000638344682 374946316 /nfs/dbraw/zinc/94/63/16/374946316.db2.gz VARCCKUAQXULSN-IRCOFANPSA-N 2 2 262.357 0.957 20 0 CCADLP Nc1ncc(C[NH2+]CCC[NH+]2CCCCC2)c(N)n1 ZINC000638308327 374912777 /nfs/dbraw/zinc/91/27/77/374912777.db2.gz MCRLLKCAAHNHNK-UHFFFAOYSA-N 2 2 264.377 0.267 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N(C)CC(C)(C)[NH3+])CC2 ZINC000638402509 374999479 /nfs/dbraw/zinc/99/94/79/374999479.db2.gz PJLIREAGUCJXHF-LLVKDONJSA-N 2 2 264.373 0.950 20 0 CCADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc(N)nc2N)C1 ZINC000638451418 375055167 /nfs/dbraw/zinc/05/51/67/375055167.db2.gz NOVMGGQFVYEYHR-SNVBAGLBSA-N 2 2 264.377 0.123 20 0 CCADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(N)nc2N)C1 ZINC000638451418 375055170 /nfs/dbraw/zinc/05/51/70/375055170.db2.gz NOVMGGQFVYEYHR-SNVBAGLBSA-N 2 2 264.377 0.123 20 0 CCADLP CCC[C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)OCC ZINC000638456283 375060446 /nfs/dbraw/zinc/06/04/46/375060446.db2.gz BTTZFCJWBIDULU-NEPJUHHUSA-N 2 2 259.394 0.587 20 0 CCADLP C[NH2+]CCOCCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000638579180 375158496 /nfs/dbraw/zinc/15/84/96/375158496.db2.gz ZTZTVQHNNQHJMW-UHFFFAOYSA-N 2 2 276.340 0.229 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000638585476 375165792 /nfs/dbraw/zinc/16/57/92/375165792.db2.gz ZEOGEAMFPRWULN-LBPRGKRZSA-N 2 2 293.415 0.856 20 0 CCADLP CC[C@H](C)[C@@H](C[NH2+]C[C@@H]1C[N@H+](C)CCN1C)OC ZINC000638596936 375177740 /nfs/dbraw/zinc/17/77/40/375177740.db2.gz UOFPUFHWVICSBS-BFHYXJOUSA-N 2 2 257.422 0.883 20 0 CCADLP CC[C@H](C)[C@@H](C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C)OC ZINC000638596936 375177744 /nfs/dbraw/zinc/17/77/44/375177744.db2.gz UOFPUFHWVICSBS-BFHYXJOUSA-N 2 2 257.422 0.883 20 0 CCADLP C[NH2+]CCc1ccccc1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638608546 375189116 /nfs/dbraw/zinc/18/91/16/375189116.db2.gz BMNSFFZNWUGYJG-CQSZACIVSA-N 2 2 291.395 0.509 20 0 CCADLP C[NH2+]CCc1ccccc1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638608546 375189121 /nfs/dbraw/zinc/18/91/21/375189121.db2.gz BMNSFFZNWUGYJG-CQSZACIVSA-N 2 2 291.395 0.509 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638608499 375190529 /nfs/dbraw/zinc/19/05/29/375190529.db2.gz BJTSXOWHCLOUGN-UPJWGTAASA-N 2 2 269.389 0.067 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638608499 375190533 /nfs/dbraw/zinc/19/05/33/375190533.db2.gz BJTSXOWHCLOUGN-UPJWGTAASA-N 2 2 269.389 0.067 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000638611369 375192509 /nfs/dbraw/zinc/19/25/09/375192509.db2.gz OPBGMAKCIYOXCK-LLVKDONJSA-N 2 2 267.373 0.095 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000638611369 375192517 /nfs/dbraw/zinc/19/25/17/375192517.db2.gz OPBGMAKCIYOXCK-LLVKDONJSA-N 2 2 267.373 0.095 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000638611677 375194288 /nfs/dbraw/zinc/19/42/88/375194288.db2.gz PNBIVDUXZYXGQA-RQJABVFESA-N 2 2 281.400 0.354 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000638611677 375194296 /nfs/dbraw/zinc/19/42/96/375194296.db2.gz PNBIVDUXZYXGQA-RQJABVFESA-N 2 2 281.400 0.354 20 0 CCADLP O=C(NC[C@H]1COCC[NH2+]1)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000638612218 375194859 /nfs/dbraw/zinc/19/48/59/375194859.db2.gz NNPXVIGUGYERIE-ZDUSSCGKSA-N 2 2 286.335 0.795 20 0 CCADLP CO[C@H](C[NH2+]C[C@H](C)C[NH+]1CCOCC1)[C@@H]1CCOC1 ZINC000638675094 375278724 /nfs/dbraw/zinc/27/87/24/375278724.db2.gz RTTAMHDQCMRHPR-RRFJBIMHSA-N 2 2 286.416 0.596 20 0 CCADLP CC(C)C[C@@H](C(=O)NCCOCCC[NH3+])n1cc[nH+]c1 ZINC000638662542 375266386 /nfs/dbraw/zinc/26/63/86/375266386.db2.gz AKGUHOLTSWWDJP-ZDUSSCGKSA-N 2 2 282.388 0.952 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638838065 375398728 /nfs/dbraw/zinc/39/87/28/375398728.db2.gz LRIOPJLPKOULDC-CYBMUJFWSA-N 2 2 298.431 0.173 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638838065 375398731 /nfs/dbraw/zinc/39/87/31/375398731.db2.gz LRIOPJLPKOULDC-CYBMUJFWSA-N 2 2 298.431 0.173 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000638846275 375402832 /nfs/dbraw/zinc/40/28/32/375402832.db2.gz SJNCGWRSAIULOE-HNNXBMFYSA-N 3 2 290.411 0.228 20 0 CCADLP C[C@H](CC(=O)NCCN1CC[NH+](C)CC1)n1cc[nH+]c1 ZINC000568754780 291619743 /nfs/dbraw/zinc/61/97/43/291619743.db2.gz RJBRPFDFGQQSLM-CYBMUJFWSA-N 2 2 279.388 0.198 20 0 CCADLP Cc1ncc([C@@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C)s1 ZINC000638971377 375489090 /nfs/dbraw/zinc/48/90/90/375489090.db2.gz AMZXNBRWCKYDLQ-SCZZXKLOSA-N 2 2 270.402 0.908 20 0 CCADLP CCC1([NH+](C)C)CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000638981307 375495171 /nfs/dbraw/zinc/49/51/71/375495171.db2.gz QRDHVOXWXBPNDK-CYBMUJFWSA-N 3 2 284.448 0.598 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638984840 375497244 /nfs/dbraw/zinc/49/72/44/375497244.db2.gz TVQRAPONLVORLL-RISCZKNCSA-N 3 2 291.399 0.803 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639022594 375527874 /nfs/dbraw/zinc/52/78/74/375527874.db2.gz JWKYYNCOORNAMG-CHWSQXEVSA-N 2 2 262.357 0.874 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]CCCc1cnn(C)c1 ZINC000639053225 375549466 /nfs/dbraw/zinc/54/94/66/375549466.db2.gz HVVXDRNNEHGSRP-UHFFFAOYSA-N 2 2 254.378 0.257 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]CCCc1cnn(C)c1 ZINC000639053225 375549473 /nfs/dbraw/zinc/54/94/73/375549473.db2.gz HVVXDRNNEHGSRP-UHFFFAOYSA-N 2 2 254.378 0.257 20 0 CCADLP CC(C)[C@@H]1CN(Cc2c[nH+]c(N)nc2N)CC[N@@H+]1C ZINC000639101722 375577531 /nfs/dbraw/zinc/57/75/31/375577531.db2.gz GFSZRAWTUQAPRD-NSHDSACASA-N 2 2 264.377 0.074 20 0 CCADLP CC(C)[C@@H]1CN(Cc2c[nH+]c(N)nc2N)CC[N@H+]1C ZINC000639101722 375577538 /nfs/dbraw/zinc/57/75/38/375577538.db2.gz GFSZRAWTUQAPRD-NSHDSACASA-N 2 2 264.377 0.074 20 0 CCADLP CC(C)(C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCOCC1 ZINC000639190874 375625623 /nfs/dbraw/zinc/62/56/23/375625623.db2.gz DMEBDBZJWNKLJQ-GFCCVEGCSA-N 2 2 278.400 0.967 20 0 CCADLP CC(C)(C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCOCC1 ZINC000639190874 375625629 /nfs/dbraw/zinc/62/56/29/375625629.db2.gz DMEBDBZJWNKLJQ-GFCCVEGCSA-N 2 2 278.400 0.967 20 0 CCADLP CC1(C)CCC[N@@H+]1CCNCc1c[nH+]c(N)nc1N ZINC000639243299 375658825 /nfs/dbraw/zinc/65/88/25/375658825.db2.gz VDPYFONYYUVLHM-UHFFFAOYSA-N 2 2 264.377 0.266 20 0 CCADLP CC1(C)CCC[N@H+]1CCNCc1c[nH+]c(N)nc1N ZINC000639243299 375658828 /nfs/dbraw/zinc/65/88/28/375658828.db2.gz VDPYFONYYUVLHM-UHFFFAOYSA-N 2 2 264.377 0.266 20 0 CCADLP CC(C)[C@H](NC(=O)C[C@H]1C[NH2+]CCO1)c1[nH]cc[nH+]1 ZINC000574634538 335035456 /nfs/dbraw/zinc/03/54/56/335035456.db2.gz BSZFFUORDXMPJR-JQWIXIFHSA-N 2 2 266.345 0.602 20 0 CCADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]CCC[C@H]1CCO1 ZINC000639219938 375643050 /nfs/dbraw/zinc/64/30/50/375643050.db2.gz YWWAQUSMDGXDRY-KGLIPLIRSA-N 2 2 256.390 0.992 20 0 CCADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]CCC[C@H]1CCO1 ZINC000639219938 375643057 /nfs/dbraw/zinc/64/30/57/375643057.db2.gz YWWAQUSMDGXDRY-KGLIPLIRSA-N 2 2 256.390 0.992 20 0 CCADLP C[N@@H+]1CCN(Cc2cccc3[nH+]ccn32)[C@H](CO)C1 ZINC000639336848 375738392 /nfs/dbraw/zinc/73/83/92/375738392.db2.gz MOSDYPVBSYGYFF-ZDUSSCGKSA-N 2 2 260.341 0.443 20 0 CCADLP C[N@H+]1CCN(Cc2cccc3[nH+]ccn32)[C@H](CO)C1 ZINC000639336848 375738397 /nfs/dbraw/zinc/73/83/97/375738397.db2.gz MOSDYPVBSYGYFF-ZDUSSCGKSA-N 2 2 260.341 0.443 20 0 CCADLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cnc(N)nc2N)C1 ZINC000639348025 375748096 /nfs/dbraw/zinc/74/80/96/375748096.db2.gz SAZRZYRBJHNFIC-JTQLQIEISA-N 2 2 264.377 0.123 20 0 CCADLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cnc(N)nc2N)C1 ZINC000639348025 375748103 /nfs/dbraw/zinc/74/81/03/375748103.db2.gz SAZRZYRBJHNFIC-JTQLQIEISA-N 2 2 264.377 0.123 20 0 CCADLP CCOC1CC(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000639349557 375750260 /nfs/dbraw/zinc/75/02/60/375750260.db2.gz NUUMCTZKIWZTJV-RUXDESIVSA-N 2 2 283.416 0.731 20 0 CCADLP CCOC1CC(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000639349557 375750267 /nfs/dbraw/zinc/75/02/67/375750267.db2.gz NUUMCTZKIWZTJV-RUXDESIVSA-N 2 2 283.416 0.731 20 0 CCADLP COc1ncc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)s1 ZINC000639350496 375750594 /nfs/dbraw/zinc/75/05/94/375750594.db2.gz ZSDYZCONAMKASH-NSHDSACASA-N 2 2 298.412 0.581 20 0 CCADLP COc1ncc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)s1 ZINC000639350496 375750603 /nfs/dbraw/zinc/75/06/03/375750603.db2.gz ZSDYZCONAMKASH-NSHDSACASA-N 2 2 298.412 0.581 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H]2CC(C)(C)CO2)CC1 ZINC000639449813 375787040 /nfs/dbraw/zinc/78/70/40/375787040.db2.gz CPVAAQZLXHCRLH-CYBMUJFWSA-N 2 2 283.416 0.507 20 0 CCADLP COCCO[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000639601348 375852375 /nfs/dbraw/zinc/85/23/75/375852375.db2.gz FTYJGHHBMZRFLR-CYBMUJFWSA-N 2 2 253.346 0.700 20 0 CCADLP COCCO[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000639601348 375852380 /nfs/dbraw/zinc/85/23/80/375852380.db2.gz FTYJGHHBMZRFLR-CYBMUJFWSA-N 2 2 253.346 0.700 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000639660470 375893065 /nfs/dbraw/zinc/89/30/65/375893065.db2.gz WZXOGOMAVIBHPM-CFVMTHIKSA-N 2 2 279.384 0.824 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000639660470 375893070 /nfs/dbraw/zinc/89/30/70/375893070.db2.gz WZXOGOMAVIBHPM-CFVMTHIKSA-N 2 2 279.384 0.824 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](C[C@@H]2CC(C)(C)CO2)CC1=O ZINC000639719660 375944168 /nfs/dbraw/zinc/94/41/68/375944168.db2.gz MMFNJFNLKNWNPO-ZDUSSCGKSA-N 2 2 283.416 0.507 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](C[C@@H]2CC(C)(C)CO2)CC1=O ZINC000639719660 375944172 /nfs/dbraw/zinc/94/41/72/375944172.db2.gz MMFNJFNLKNWNPO-ZDUSSCGKSA-N 2 2 283.416 0.507 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCn2ccnc2)C1 ZINC000639765388 375995720 /nfs/dbraw/zinc/99/57/20/375995720.db2.gz IQHGLRHAFSFTAW-CYBMUJFWSA-N 2 2 252.362 0.272 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCn2ccnc2)C1 ZINC000639765388 375995728 /nfs/dbraw/zinc/99/57/28/375995728.db2.gz IQHGLRHAFSFTAW-CYBMUJFWSA-N 2 2 252.362 0.272 20 0 CCADLP C[NH2+][C@@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000261653369 190042169 /nfs/dbraw/zinc/04/21/69/190042169.db2.gz FHSXZOCSSSGXFO-JTQLQIEISA-N 2 2 259.313 0.605 20 0 CCADLP Cc1[nH]c(CN2CCC[C@@](O)(C[NH+](C)C)C2)[nH+]c1C ZINC000639763487 375991003 /nfs/dbraw/zinc/99/10/03/375991003.db2.gz QURLBACIWPWESV-CQSZACIVSA-N 2 2 266.389 0.915 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000639858417 376087294 /nfs/dbraw/zinc/08/72/94/376087294.db2.gz TWEVDFLNCIAGOK-CQSZACIVSA-N 2 2 290.371 0.574 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000639858417 376087297 /nfs/dbraw/zinc/08/72/97/376087297.db2.gz TWEVDFLNCIAGOK-CQSZACIVSA-N 2 2 290.371 0.574 20 0 CCADLP Cc1[nH+]ccn1CCCN1CC[N@@H+](C)C[C@H]1CO ZINC000639873303 376108945 /nfs/dbraw/zinc/10/89/45/376108945.db2.gz XJIINJWZTKVLLN-ZDUSSCGKSA-N 2 2 252.362 0.190 20 0 CCADLP Cc1[nH+]ccn1CCCN1CC[N@H+](C)C[C@H]1CO ZINC000639873303 376108955 /nfs/dbraw/zinc/10/89/55/376108955.db2.gz XJIINJWZTKVLLN-ZDUSSCGKSA-N 2 2 252.362 0.190 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CCN(C)C[C@H]1CO ZINC000639873303 376108962 /nfs/dbraw/zinc/10/89/62/376108962.db2.gz XJIINJWZTKVLLN-ZDUSSCGKSA-N 2 2 252.362 0.190 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCN(C)C[C@H]1CO ZINC000639873303 376108968 /nfs/dbraw/zinc/10/89/68/376108968.db2.gz XJIINJWZTKVLLN-ZDUSSCGKSA-N 2 2 252.362 0.190 20 0 CCADLP O=C(c1ccc2[nH+]ccn2c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262017005 190047048 /nfs/dbraw/zinc/04/70/48/190047048.db2.gz IEKDLPSLPJNUKY-CQSZACIVSA-N 2 2 299.378 0.454 20 0 CCADLP C[N@@H+](CCCCCF)CC(=O)N1CC[NH+](C)CC1 ZINC000640051119 376217253 /nfs/dbraw/zinc/21/72/53/376217253.db2.gz IFWGIZNZZBGXTB-UHFFFAOYSA-N 2 2 259.369 0.832 20 0 CCADLP CO[C@H](C[N@H+](C)CC(=O)N1CC[NH+](C)CC1)C1CCC1 ZINC000640059947 376222134 /nfs/dbraw/zinc/22/21/34/376222134.db2.gz FBNVOOACKBYRBS-CQSZACIVSA-N 2 2 283.416 0.507 20 0 CCADLP CO[C@H](C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1)C1CCC1 ZINC000640059947 376222138 /nfs/dbraw/zinc/22/21/38/376222138.db2.gz FBNVOOACKBYRBS-CQSZACIVSA-N 2 2 283.416 0.507 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)CC1 ZINC000640095462 376232969 /nfs/dbraw/zinc/23/29/69/376232969.db2.gz NKLBZHUFPIMTLW-ZNMIVQPWSA-N 2 2 295.427 0.386 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)CC1 ZINC000640095462 376232974 /nfs/dbraw/zinc/23/29/74/376232974.db2.gz NKLBZHUFPIMTLW-ZNMIVQPWSA-N 2 2 295.427 0.386 20 0 CCADLP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000262879623 190064430 /nfs/dbraw/zinc/06/44/30/190064430.db2.gz VTZTYHBEAGGCIC-AAEUAGOBSA-N 2 2 285.351 0.995 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)Cn1cc[nH+]c1 ZINC000262660415 190059885 /nfs/dbraw/zinc/05/98/85/190059885.db2.gz NMFKVVDQYSDNGK-UTUOFQBUSA-N 2 2 250.346 0.763 20 0 CCADLP CN(C)c1cc(NC(=O)NCC[NH+]2CCOCC2)cc[nH+]1 ZINC000640608282 376461039 /nfs/dbraw/zinc/46/10/39/376461039.db2.gz AQZOLKZEIPYHQR-UHFFFAOYSA-N 2 2 293.371 0.601 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CCO1 ZINC000640932010 376622414 /nfs/dbraw/zinc/62/24/14/376622414.db2.gz AEESISXOKLNGPO-MJBXVCDLSA-N 2 2 298.431 0.394 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CCO1 ZINC000640932010 376622421 /nfs/dbraw/zinc/62/24/21/376622421.db2.gz AEESISXOKLNGPO-MJBXVCDLSA-N 2 2 298.431 0.394 20 0 CCADLP COc1cc[nH+]c(Cn2cc([C@@H]([NH3+])[C@@H]3CCCO3)nn2)c1 ZINC000641031182 376689184 /nfs/dbraw/zinc/68/91/84/376689184.db2.gz WINPYUDPVXRNJZ-UONOGXRCSA-N 2 2 289.339 0.909 20 0 CCADLP CCc1[nH+]ccn1Cc1cn(Cc2cc[nH+]c(N)c2)nn1 ZINC000641068215 376736683 /nfs/dbraw/zinc/73/66/83/376736683.db2.gz KGMYWTJFUVAEKC-UHFFFAOYSA-N 2 2 283.339 0.941 20 0 CCADLP Cn1c[nH+]cc1CCn1cc(C[N@@H+]2CCC[C@@H]2CO)nn1 ZINC000641172353 376842565 /nfs/dbraw/zinc/84/25/65/376842565.db2.gz DKSDVCGXYUIIQC-CQSZACIVSA-N 2 2 290.371 0.211 20 0 CCADLP Cn1c[nH+]cc1CCn1cc(C[N@H+]2CCC[C@@H]2CO)nn1 ZINC000641172353 376842576 /nfs/dbraw/zinc/84/25/76/376842576.db2.gz DKSDVCGXYUIIQC-CQSZACIVSA-N 2 2 290.371 0.211 20 0 CCADLP C[NH+]1CCN(CCNc2cc(NC3CC3)[nH+]cn2)CC1 ZINC000569209916 291658812 /nfs/dbraw/zinc/65/88/12/291658812.db2.gz RTMHGGRUHJTUSC-UHFFFAOYSA-N 2 2 276.388 0.710 20 0 CCADLP CC[C@@H](COC)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641787271 377464018 /nfs/dbraw/zinc/46/40/18/377464018.db2.gz OOOROGCBIAAENO-JKSUJKDBSA-N 2 2 299.459 0.798 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCN2C(=O)NC(C)(C)C2=O)[C@@H]1C ZINC000641805069 377475983 /nfs/dbraw/zinc/47/59/83/377475983.db2.gz DOZVIDAGQSEEHS-UTUOFQBUSA-N 2 2 296.415 0.765 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCN2C(=O)NC(C)(C)C2=O)[C@@H]1C ZINC000641805069 377475992 /nfs/dbraw/zinc/47/59/92/377475992.db2.gz DOZVIDAGQSEEHS-UTUOFQBUSA-N 2 2 296.415 0.765 20 0 CCADLP CC1(C)[C@H]([NH2+]Cc2nnnn2-c2ccccc2)C[C@@H]1[NH3+] ZINC000641809296 377481944 /nfs/dbraw/zinc/48/19/44/377481944.db2.gz VXUAPDPSQLEXNT-NWDGAFQWSA-N 2 2 272.356 0.878 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CC[N@H+](C)C(C)(C)C2)c1 ZINC000641830098 377499363 /nfs/dbraw/zinc/49/93/63/377499363.db2.gz OBHCZLHTZBDVRU-UHFFFAOYSA-N 2 2 279.388 0.698 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000641830098 377499372 /nfs/dbraw/zinc/49/93/72/377499372.db2.gz OBHCZLHTZBDVRU-UHFFFAOYSA-N 2 2 279.388 0.698 20 0 CCADLP O=C(COC1C[NH2+]C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000430679658 249023139 /nfs/dbraw/zinc/02/31/39/249023139.db2.gz WGXNVVUPNDABSP-JTQLQIEISA-N 2 2 264.329 0.104 20 0 CCADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@@H](O)[C@H](CO)C1 ZINC000459675100 249050496 /nfs/dbraw/zinc/05/04/96/249050496.db2.gz JMDXCIYAPQOEFB-GOEBONIOSA-N 2 2 287.363 0.966 20 0 CCADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@@H](O)[C@H](CO)C1 ZINC000459675100 249050499 /nfs/dbraw/zinc/05/04/99/249050499.db2.gz JMDXCIYAPQOEFB-GOEBONIOSA-N 2 2 287.363 0.966 20 0 CCADLP Cc1ccsc1CCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000515047620 249116994 /nfs/dbraw/zinc/11/69/94/249116994.db2.gz LJQXOVVPRBFJPP-LBPRGKRZSA-N 2 2 296.440 0.883 20 0 CCADLP Cc1ccsc1CCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000515047620 249116997 /nfs/dbraw/zinc/11/69/97/249116997.db2.gz LJQXOVVPRBFJPP-LBPRGKRZSA-N 2 2 296.440 0.883 20 0 CCADLP C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000514698797 249099700 /nfs/dbraw/zinc/09/97/00/249099700.db2.gz JHXLFIIBZHGGDW-NEPJUHHUSA-N 2 2 291.399 0.908 20 0 CCADLP C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000514698797 249099702 /nfs/dbraw/zinc/09/97/02/249099702.db2.gz JHXLFIIBZHGGDW-NEPJUHHUSA-N 2 2 291.399 0.908 20 0 CCADLP C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000514698797 249099704 /nfs/dbraw/zinc/09/97/04/249099704.db2.gz JHXLFIIBZHGGDW-NEPJUHHUSA-N 2 2 291.399 0.908 20 0 CCADLP C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000514698797 249099706 /nfs/dbraw/zinc/09/97/06/249099706.db2.gz JHXLFIIBZHGGDW-NEPJUHHUSA-N 2 2 291.399 0.908 20 0 CCADLP CO[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000516050328 249149638 /nfs/dbraw/zinc/14/96/38/249149638.db2.gz SLPIEKKCTKDHHX-XPABHHOTSA-N 2 2 286.416 0.614 20 0 CCADLP CO[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000516050328 249149640 /nfs/dbraw/zinc/14/96/40/249149640.db2.gz SLPIEKKCTKDHHX-XPABHHOTSA-N 2 2 286.416 0.614 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCc2ccncc2)C[C@H](C)O1 ZINC000516174707 249153672 /nfs/dbraw/zinc/15/36/72/249153672.db2.gz PLSBLWKJIMKPNR-IJEWVQPXSA-N 2 2 293.411 0.684 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCc2ccncc2)C[C@H](C)O1 ZINC000516174707 249153674 /nfs/dbraw/zinc/15/36/74/249153674.db2.gz PLSBLWKJIMKPNR-IJEWVQPXSA-N 2 2 293.411 0.684 20 0 CCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCCc1cn(C)c[nH+]1 ZINC000515372751 249131118 /nfs/dbraw/zinc/13/11/18/249131118.db2.gz ZKUNQOBLMKQGPG-CQSZACIVSA-N 2 2 293.415 0.944 20 0 CCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCCc1cn(C)c[nH+]1 ZINC000515372751 249131120 /nfs/dbraw/zinc/13/11/20/249131120.db2.gz ZKUNQOBLMKQGPG-CQSZACIVSA-N 2 2 293.415 0.944 20 0 CCADLP Cc1nc2ccccn2c1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000515671726 249142337 /nfs/dbraw/zinc/14/23/37/249142337.db2.gz UQWYMRCDJMKYIE-STQMWFEESA-N 2 2 299.378 0.387 20 0 CCADLP Cc1nc2ccccn2c1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000515671726 249142340 /nfs/dbraw/zinc/14/23/40/249142340.db2.gz UQWYMRCDJMKYIE-STQMWFEESA-N 2 2 299.378 0.387 20 0 CCADLP C[C@@H](CC(=O)N1CCN(CC[NH+](C)C)CC1)n1cc[nH+]c1 ZINC000517033882 249200964 /nfs/dbraw/zinc/20/09/64/249200964.db2.gz QFXWSPAWTNHRAU-AWEZNQCLSA-N 2 2 293.415 0.540 20 0 CCADLP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000518174875 249240640 /nfs/dbraw/zinc/24/06/40/249240640.db2.gz AMQRYUMNMGSPDV-JTQLQIEISA-N 2 2 270.402 0.847 20 0 CCADLP C[C@H](CNC(=O)[C@H](C)[NH+]1CC(C)C1)N1CC[NH+](C)CC1 ZINC000517245565 249212596 /nfs/dbraw/zinc/21/25/96/249212596.db2.gz UPUFMQFNJGSUHU-KGLIPLIRSA-N 2 2 282.432 0.079 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000518891210 249264798 /nfs/dbraw/zinc/26/47/98/249264798.db2.gz QLBZUGIIRFSBPH-OAHLLOKOSA-N 2 2 288.395 0.678 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000518891210 249264801 /nfs/dbraw/zinc/26/48/01/249264801.db2.gz QLBZUGIIRFSBPH-OAHLLOKOSA-N 2 2 288.395 0.678 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000518887160 249264810 /nfs/dbraw/zinc/26/48/10/249264810.db2.gz ACXRRJJWNRPXQF-MRXNPFEDSA-N 3 2 299.459 0.343 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000518887160 249264812 /nfs/dbraw/zinc/26/48/12/249264812.db2.gz ACXRRJJWNRPXQF-MRXNPFEDSA-N 3 2 299.459 0.343 20 0 CCADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)C[NH+]1CCOCC1 ZINC000265678438 190199254 /nfs/dbraw/zinc/19/92/54/190199254.db2.gz DJUVVLUJJOHAGW-CYBMUJFWSA-N 2 2 280.372 0.358 20 0 CCADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)CC[NH2+]C2CC2)no1 ZINC000569502895 291685757 /nfs/dbraw/zinc/68/57/57/291685757.db2.gz NVCHLNBJVPQMPV-UHFFFAOYSA-N 2 2 295.387 0.625 20 0 CCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)C1CC1 ZINC000657071418 412883157 /nfs/dbraw/zinc/88/31/57/412883157.db2.gz NWRYYEXKLAILDE-NSHDSACASA-N 2 2 277.434 0.340 20 0 CCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)C1CC1 ZINC000657071418 412883159 /nfs/dbraw/zinc/88/31/59/412883159.db2.gz NWRYYEXKLAILDE-NSHDSACASA-N 2 2 277.434 0.340 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000266240364 190242725 /nfs/dbraw/zinc/24/27/25/190242725.db2.gz PSOBUBLWLQEHRZ-CQSZACIVSA-N 2 2 292.383 0.454 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000278951933 194226579 /nfs/dbraw/zinc/22/65/79/194226579.db2.gz VRXOQTONKBRIKK-UHFFFAOYSA-N 2 2 262.357 0.815 20 0 CCADLP CN(CC[NH+](C)C)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000267058787 190300608 /nfs/dbraw/zinc/30/06/08/190300608.db2.gz OSWKRVGONVZVRE-UHFFFAOYSA-N 2 2 279.388 0.922 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267458865 190331970 /nfs/dbraw/zinc/33/19/70/190331970.db2.gz UITACRDZTFBRDG-QWRGUYRKSA-N 2 2 294.355 0.267 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267458865 190331971 /nfs/dbraw/zinc/33/19/71/190331971.db2.gz UITACRDZTFBRDG-QWRGUYRKSA-N 2 2 294.355 0.267 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)CCCC[NH+]1CCOCC1 ZINC000267869714 190360016 /nfs/dbraw/zinc/36/00/16/190360016.db2.gz KACPGVRYUVNXBL-UHFFFAOYSA-N 2 2 280.372 0.837 20 0 CCADLP CC(C)OCC[C@H](O)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000570325452 291748491 /nfs/dbraw/zinc/74/84/91/291748491.db2.gz KNVXCMIUQSDPTG-OLZOCXBDSA-N 2 2 267.373 0.964 20 0 CCADLP CC[N@H+]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000288410644 197070587 /nfs/dbraw/zinc/07/05/87/197070587.db2.gz LQFVQKOEFGAYLV-LLVKDONJSA-N 2 2 250.346 0.895 20 0 CCADLP CN(C)c1ncc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)n1C ZINC000570711877 291776593 /nfs/dbraw/zinc/77/65/93/291776593.db2.gz OREQJJCIYSNLGN-NSHDSACASA-N 2 2 274.372 0.787 20 0 CCADLP CC(C)C(=O)NCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657290130 412952274 /nfs/dbraw/zinc/95/22/74/412952274.db2.gz XNXIRMNIDZGEIV-UHFFFAOYSA-N 2 2 250.346 0.691 20 0 CCADLP O=C1NCCC[C@H]1C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000657285052 412953680 /nfs/dbraw/zinc/95/36/80/412953680.db2.gz ZESBRBGCSLNDPD-NSHDSACASA-N 2 2 258.325 0.950 20 0 CCADLP Cc1[nH]c(CNC[C@@H](O)C[NH+]2CCCCC2)[nH+]c1C ZINC000657327547 412961590 /nfs/dbraw/zinc/96/15/90/412961590.db2.gz WJDYGLVVARMOGX-CYBMUJFWSA-N 2 2 266.389 0.963 20 0 CCADLP O[C@H](C[NH2+]Cc1cnn2c1CCC2)C[NH+]1CCCC1 ZINC000657324686 412962745 /nfs/dbraw/zinc/96/27/45/412962745.db2.gz BDOBWAQKBGNUKM-CYBMUJFWSA-N 2 2 264.373 0.376 20 0 CCADLP C[C@@H](C[NH2+]Cc1c[nH+]c2n1CCC2)CN1CC[NH+](C)CC1 ZINC000657346405 412964532 /nfs/dbraw/zinc/96/45/32/412964532.db2.gz HBAVZNVSMSTYSH-AWEZNQCLSA-N 3 2 291.443 0.802 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3(C)C[NH2+]C3)CC2)CC1 ZINC000571519555 291819671 /nfs/dbraw/zinc/81/96/71/291819671.db2.gz SKMJFUQSNRTGSN-UHFFFAOYSA-N 3 2 294.443 0.271 20 0 CCADLP CC[N@H+](CC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)C1CC1 ZINC000246350673 285017064 /nfs/dbraw/zinc/01/70/64/285017064.db2.gz VWVCJHVXRNJJMH-STQMWFEESA-N 2 2 283.416 0.696 20 0 CCADLP CC[N@@H+](CC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)C1CC1 ZINC000246350673 285017066 /nfs/dbraw/zinc/01/70/66/285017066.db2.gz VWVCJHVXRNJJMH-STQMWFEESA-N 2 2 283.416 0.696 20 0 CCADLP [NH3+][C@H](C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cscn1 ZINC000571680000 291831167 /nfs/dbraw/zinc/83/11/67/291831167.db2.gz ZMNWDJJPSZVBRA-UMNHJUIQSA-N 2 2 280.397 0.647 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NCC[N@H+]1CC=CCC1 ZINC000281031504 195076062 /nfs/dbraw/zinc/07/60/62/195076062.db2.gz YNPJBPFFOCXXKY-UHFFFAOYSA-N 2 2 263.345 0.481 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NCC[N@@H+]1CC=CCC1 ZINC000281031504 195076064 /nfs/dbraw/zinc/07/60/64/195076064.db2.gz YNPJBPFFOCXXKY-UHFFFAOYSA-N 2 2 263.345 0.481 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC000247697095 285058824 /nfs/dbraw/zinc/05/88/24/285058824.db2.gz WWXGPILPKLVTIS-OLZOCXBDSA-N 2 2 253.390 0.881 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H]2CCN(C)C2=O)C1 ZINC000247697095 285058825 /nfs/dbraw/zinc/05/88/25/285058825.db2.gz WWXGPILPKLVTIS-OLZOCXBDSA-N 2 2 253.390 0.881 20 0 CCADLP [NH3+][C@@H]1C[C@@H]1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000335283150 208094593 /nfs/dbraw/zinc/09/45/93/208094593.db2.gz DKSSJBFFMCIBJF-VHSXEESVSA-N 2 2 264.716 0.951 20 0 CCADLP CCOC(=O)N1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000289386864 197324154 /nfs/dbraw/zinc/32/41/54/197324154.db2.gz QMLMMVUAFIAJLJ-UHFFFAOYSA-N 2 2 266.345 0.737 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000574816379 335049935 /nfs/dbraw/zinc/04/99/35/335049935.db2.gz KCNBBYNPMBBENE-DGCLKSJQSA-N 2 2 267.377 0.263 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000574816379 335049936 /nfs/dbraw/zinc/04/99/36/335049936.db2.gz KCNBBYNPMBBENE-DGCLKSJQSA-N 2 2 267.377 0.263 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000574816379 335049939 /nfs/dbraw/zinc/04/99/39/335049939.db2.gz KCNBBYNPMBBENE-DGCLKSJQSA-N 2 2 267.377 0.263 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000574816379 335049941 /nfs/dbraw/zinc/04/99/41/335049941.db2.gz KCNBBYNPMBBENE-DGCLKSJQSA-N 2 2 267.377 0.263 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000574816379 335049942 /nfs/dbraw/zinc/04/99/42/335049942.db2.gz KCNBBYNPMBBENE-DGCLKSJQSA-N 2 2 267.377 0.263 20 0 CCADLP COc1ccc(C[NH2+]C[C@H]2C[NH2+]CCO2)c(OC)c1 ZINC000258896833 285153815 /nfs/dbraw/zinc/15/38/15/285153815.db2.gz KPFXKOTYJIKVIJ-CYBMUJFWSA-N 2 2 266.341 0.782 20 0 CCADLP C[C@@H]1CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@H]1C[NH3+] ZINC000420296656 296391435 /nfs/dbraw/zinc/39/14/35/296391435.db2.gz XMCQXYAMRXNBBS-IWCQGFGOSA-N 3 2 291.439 0.977 20 0 CCADLP C[C@@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@H]1C[NH3+] ZINC000420296656 296391436 /nfs/dbraw/zinc/39/14/36/296391436.db2.gz XMCQXYAMRXNBBS-IWCQGFGOSA-N 3 2 291.439 0.977 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C[NH2+]C)C2)CC1 ZINC000430936914 285188294 /nfs/dbraw/zinc/18/82/94/285188294.db2.gz XWLSLSWUWNLBKQ-CYBMUJFWSA-N 3 2 282.432 0.128 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C[NH2+]C)C2)CC1 ZINC000430936914 285188297 /nfs/dbraw/zinc/18/82/97/285188297.db2.gz XWLSLSWUWNLBKQ-CYBMUJFWSA-N 3 2 282.432 0.128 20 0 CCADLP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)CO1 ZINC000657479663 413004627 /nfs/dbraw/zinc/00/46/27/413004627.db2.gz GAOGMQRREVOCJW-MELADBBJSA-N 2 2 256.390 0.990 20 0 CCADLP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2CCO)CO1 ZINC000657479663 413004635 /nfs/dbraw/zinc/00/46/35/413004635.db2.gz GAOGMQRREVOCJW-MELADBBJSA-N 2 2 256.390 0.990 20 0 CCADLP c1[nH+]c2n(c1C[NH2+][C@@H]1CCc3nnnn3CC1)CCC2 ZINC000657493643 413007569 /nfs/dbraw/zinc/00/75/69/413007569.db2.gz GWVBORASIQNPDC-SNVBAGLBSA-N 2 2 273.344 0.311 20 0 CCADLP CC[N@@H+]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000288410644 197070584 /nfs/dbraw/zinc/07/05/84/197070584.db2.gz LQFVQKOEFGAYLV-LLVKDONJSA-N 2 2 250.346 0.895 20 0 CCADLP C[C@@H](NC(=O)NCc1cn2ccccc2[nH+]1)[C@H](C)[NH3+] ZINC000416867293 533189286 /nfs/dbraw/zinc/18/92/86/533189286.db2.gz HPQGVIOGIMBPSN-VHSXEESVSA-N 2 2 261.329 0.869 20 0 CCADLP CCN1CCC[C@H]1C[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000092629277 285274089 /nfs/dbraw/zinc/27/40/89/285274089.db2.gz ZJOPRVLOTIZMCN-AWEZNQCLSA-N 2 2 282.432 0.224 20 0 CCADLP CCN1CCC[C@H]1C[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000092629277 285274091 /nfs/dbraw/zinc/27/40/91/285274091.db2.gz ZJOPRVLOTIZMCN-AWEZNQCLSA-N 2 2 282.432 0.224 20 0 CCADLP C[C@@H](CNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)[NH+](C)C1CC1 ZINC000524262689 285311611 /nfs/dbraw/zinc/31/16/11/285311611.db2.gz LDSCIOUNBLOBBA-GXTWGEPZSA-N 2 2 297.447 0.014 20 0 CCADLP C[C@@H](CNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)[NH+](C)C1CC1 ZINC000524262689 285311612 /nfs/dbraw/zinc/31/16/12/285311612.db2.gz LDSCIOUNBLOBBA-GXTWGEPZSA-N 2 2 297.447 0.014 20 0 CCADLP C[C@@H](CNC(=O)NC[C@@H]1CN(C)CC[NH+]1C)[N@H+](C)C1CC1 ZINC000524262689 285311615 /nfs/dbraw/zinc/31/16/15/285311615.db2.gz LDSCIOUNBLOBBA-GXTWGEPZSA-N 2 2 297.447 0.014 20 0 CCADLP C[C@@H](CNC(=O)NC[C@@H]1CN(C)CC[NH+]1C)[N@@H+](C)C1CC1 ZINC000524262689 285311617 /nfs/dbraw/zinc/31/16/17/285311617.db2.gz LDSCIOUNBLOBBA-GXTWGEPZSA-N 2 2 297.447 0.014 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000184548647 388775731 /nfs/dbraw/zinc/77/57/31/388775731.db2.gz SSTJGMNQOJYQMY-UHFFFAOYSA-N 2 2 289.383 0.876 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000184548647 388775733 /nfs/dbraw/zinc/77/57/33/388775733.db2.gz SSTJGMNQOJYQMY-UHFFFAOYSA-N 2 2 289.383 0.876 20 0 CCADLP [NH3+]C1CC[NH+](CC(=O)NCc2ccccc2F)CC1 ZINC000036754590 388843386 /nfs/dbraw/zinc/84/33/86/388843386.db2.gz SKQIBOHGRLGIQQ-UHFFFAOYSA-N 2 2 265.332 0.865 20 0 CCADLP CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000186393657 388834797 /nfs/dbraw/zinc/83/47/97/388834797.db2.gz XPNXDWOCMOHPJX-LSDHHAIUSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000040805176 388855289 /nfs/dbraw/zinc/85/52/89/388855289.db2.gz UOVIHNIITVEQTC-LLVKDONJSA-N 2 2 257.378 0.197 20 0 CCADLP CC(C)(CNC(=O)C1([NH3+])CCCC1)[NH+]1CCOCC1 ZINC000040805260 388855443 /nfs/dbraw/zinc/85/54/43/388855443.db2.gz FAQPIYZKVROERZ-UHFFFAOYSA-N 2 2 269.389 0.485 20 0 CCADLP [NH3+]CCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000040829495 388856265 /nfs/dbraw/zinc/85/62/65/388856265.db2.gz QBWSVVVFZNGUKU-UHFFFAOYSA-N 2 2 263.341 0.806 20 0 CCADLP C[C@@H]([NH3+])C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000040855864 388858387 /nfs/dbraw/zinc/85/83/87/388858387.db2.gz JSFHHHBBUYNXJM-PWSUYJOCSA-N 2 2 258.325 0.973 20 0 CCADLP CN(C)c1cc[nH+]cc1C[NH2+]CCS(=O)(=O)N(C)C ZINC000289691638 388882807 /nfs/dbraw/zinc/88/28/07/388882807.db2.gz SNONHWKFWIUWGP-UHFFFAOYSA-N 2 2 286.401 0.129 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](CCO)[C@H](C)C1)[NH+]1CCCCCC1 ZINC000187296488 388876247 /nfs/dbraw/zinc/87/62/47/388876247.db2.gz GUWDUEMBVPEMSY-HUUCEWRRSA-N 2 2 297.443 0.776 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](CCO)[C@H](C)C1)[NH+]1CCCCCC1 ZINC000187296488 388876251 /nfs/dbraw/zinc/87/62/51/388876251.db2.gz GUWDUEMBVPEMSY-HUUCEWRRSA-N 2 2 297.443 0.776 20 0 CCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1c[nH+]cn1C ZINC000290600042 388907772 /nfs/dbraw/zinc/90/77/72/388907772.db2.gz BXOZKRLTTXEKJC-LLVKDONJSA-N 2 2 267.377 0.950 20 0 CCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCc1c[nH+]cn1C ZINC000290600042 388907774 /nfs/dbraw/zinc/90/77/74/388907774.db2.gz BXOZKRLTTXEKJC-LLVKDONJSA-N 2 2 267.377 0.950 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1c[nH+]cn1C ZINC000290802258 388913297 /nfs/dbraw/zinc/91/32/97/388913297.db2.gz UWCJDVPBAKDXLW-GWCFXTLKSA-N 2 2 277.372 0.702 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1c[nH+]cn1C ZINC000290802258 388913298 /nfs/dbraw/zinc/91/32/98/388913298.db2.gz UWCJDVPBAKDXLW-GWCFXTLKSA-N 2 2 277.372 0.702 20 0 CCADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188728980 388939185 /nfs/dbraw/zinc/93/91/85/388939185.db2.gz FLZSPMKHWURRQU-LLVKDONJSA-N 2 2 291.399 0.469 20 0 CCADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188728980 388939187 /nfs/dbraw/zinc/93/91/87/388939187.db2.gz FLZSPMKHWURRQU-LLVKDONJSA-N 2 2 291.399 0.469 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(CCCn2cc[nH+]c2)CC1 ZINC000189340930 388956216 /nfs/dbraw/zinc/95/62/16/388956216.db2.gz FHAQQVQJXJASIN-CYBMUJFWSA-N 2 2 252.362 0.272 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000189918294 388978327 /nfs/dbraw/zinc/97/83/27/388978327.db2.gz LZDVZVIPXUUDEC-GJZGRUSLSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000189918294 388978328 /nfs/dbraw/zinc/97/83/28/388978328.db2.gz LZDVZVIPXUUDEC-GJZGRUSLSA-N 2 2 299.459 0.484 20 0 CCADLP CN(CC[NH+]1CCOCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000336717376 389016779 /nfs/dbraw/zinc/01/67/79/389016779.db2.gz SXKVSXFKJRRGLM-CQSZACIVSA-N 2 2 253.390 0.487 20 0 CCADLP CN(CC[NH+]1CCOCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000336717376 389016780 /nfs/dbraw/zinc/01/67/80/389016780.db2.gz SXKVSXFKJRRGLM-CQSZACIVSA-N 2 2 253.390 0.487 20 0 CCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000354207602 389017480 /nfs/dbraw/zinc/01/74/80/389017480.db2.gz MQGCXDMINDRBQB-VXGBXAGGSA-N 2 2 262.357 0.923 20 0 CCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000354207602 389017481 /nfs/dbraw/zinc/01/74/81/389017481.db2.gz MQGCXDMINDRBQB-VXGBXAGGSA-N 2 2 262.357 0.923 20 0 CCADLP CN(C)c1nc(N2CC[NH+]([C@@H]3CCOC3)CC2)cc[nH+]1 ZINC000336825158 389024931 /nfs/dbraw/zinc/02/49/31/389024931.db2.gz XHXVHKVGCFHORN-GFCCVEGCSA-N 2 2 277.372 0.454 20 0 CCADLP C[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)C[C@H](O)C[NH3+] ZINC000336837402 389026143 /nfs/dbraw/zinc/02/61/43/389026143.db2.gz ZARQDGGJIGSNKB-BFHYXJOUSA-N 2 2 283.416 0.419 20 0 CCADLP C[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)C[C@H](O)C[NH3+] ZINC000336837402 389026147 /nfs/dbraw/zinc/02/61/47/389026147.db2.gz ZARQDGGJIGSNKB-BFHYXJOUSA-N 2 2 283.416 0.419 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000302153294 389063738 /nfs/dbraw/zinc/06/37/38/389063738.db2.gz MIQGNHVAETZTFZ-NSHDSACASA-N 2 2 278.356 0.073 20 0 CCADLP C[C@@H]1CN(c2cc(NCC3CC3)[nH+]cn2)CC[N@@H+]1CCO ZINC000302419750 389070016 /nfs/dbraw/zinc/07/00/16/389070016.db2.gz MWNXXVQCBNAGCD-GFCCVEGCSA-N 2 2 291.399 0.801 20 0 CCADLP C[C@@H]1CN(c2cc(NCC3CC3)[nH+]cn2)CC[N@H+]1CCO ZINC000302419750 389070019 /nfs/dbraw/zinc/07/00/19/389070019.db2.gz MWNXXVQCBNAGCD-GFCCVEGCSA-N 2 2 291.399 0.801 20 0 CCADLP C[NH+]1CCC(C)(CNC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000355434696 389077599 /nfs/dbraw/zinc/07/75/99/389077599.db2.gz JGKHPAKCJBXASF-UHFFFAOYSA-N 2 2 298.431 0.350 20 0 CCADLP C[NH+](C)C[C@@H](O)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000305147273 389084722 /nfs/dbraw/zinc/08/47/22/389084722.db2.gz SDXKFOSXNLAKSM-AWEZNQCLSA-N 3 2 278.400 0.563 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)[C@H](C)[NH+]1CCOCC1 ZINC000104938774 389085685 /nfs/dbraw/zinc/08/56/85/389085685.db2.gz HKKGKKRGHCQGHJ-AVGNSLFASA-N 2 2 269.389 0.306 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)[C@H](C)[NH+]1CCOCC1 ZINC000104938774 389085687 /nfs/dbraw/zinc/08/56/87/389085687.db2.gz HKKGKKRGHCQGHJ-AVGNSLFASA-N 2 2 269.389 0.306 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCOC[C@H]1C ZINC000355094139 389041558 /nfs/dbraw/zinc/04/15/58/389041558.db2.gz YRKWNMVHLRDFJI-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000355094139 389041561 /nfs/dbraw/zinc/04/15/61/389041561.db2.gz YRKWNMVHLRDFJI-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000355094139 389041568 /nfs/dbraw/zinc/04/15/68/389041568.db2.gz YRKWNMVHLRDFJI-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000358166089 389143875 /nfs/dbraw/zinc/14/38/75/389143875.db2.gz WICYKBGFVWIFFD-DAXOMENPSA-N 2 2 279.428 0.922 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000358166089 389143879 /nfs/dbraw/zinc/14/38/79/389143879.db2.gz WICYKBGFVWIFFD-DAXOMENPSA-N 2 2 279.428 0.922 20 0 CCADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000358166089 389143882 /nfs/dbraw/zinc/14/38/82/389143882.db2.gz WICYKBGFVWIFFD-DAXOMENPSA-N 2 2 279.428 0.922 20 0 CCADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000358166089 389143884 /nfs/dbraw/zinc/14/38/84/389143884.db2.gz WICYKBGFVWIFFD-DAXOMENPSA-N 2 2 279.428 0.922 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000358166091 389144274 /nfs/dbraw/zinc/14/42/74/389144274.db2.gz WICYKBGFVWIFFD-KCXAZCMYSA-N 2 2 279.428 0.922 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000358166091 389144278 /nfs/dbraw/zinc/14/42/78/389144278.db2.gz WICYKBGFVWIFFD-KCXAZCMYSA-N 2 2 279.428 0.922 20 0 CCADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000358166091 389144280 /nfs/dbraw/zinc/14/42/80/389144280.db2.gz WICYKBGFVWIFFD-KCXAZCMYSA-N 2 2 279.428 0.922 20 0 CCADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000358166091 389144281 /nfs/dbraw/zinc/14/42/81/389144281.db2.gz WICYKBGFVWIFFD-KCXAZCMYSA-N 2 2 279.428 0.922 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCOC[C@H](C)C2)CC1 ZINC000338249894 389097595 /nfs/dbraw/zinc/09/75/95/389097595.db2.gz GSLPGFTYHYPNFU-KGLIPLIRSA-N 2 2 283.416 0.507 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCOC[C@H](C)C2)CC1 ZINC000338249894 389097597 /nfs/dbraw/zinc/09/75/97/389097597.db2.gz GSLPGFTYHYPNFU-KGLIPLIRSA-N 2 2 283.416 0.507 20 0 CCADLP CC[N@@H+]1C[C@H](C)N(CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000338276510 389103173 /nfs/dbraw/zinc/10/31/73/389103173.db2.gz ASGNVDRWHQSYEF-GJZGRUSLSA-N 2 2 296.459 0.565 20 0 CCADLP CC[N@H+]1C[C@H](C)N(CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000338276510 389103176 /nfs/dbraw/zinc/10/31/76/389103176.db2.gz ASGNVDRWHQSYEF-GJZGRUSLSA-N 2 2 296.459 0.565 20 0 CCADLP CCN1C[C@H](C)[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000338276510 389103178 /nfs/dbraw/zinc/10/31/78/389103178.db2.gz ASGNVDRWHQSYEF-GJZGRUSLSA-N 2 2 296.459 0.565 20 0 CCADLP CCN1C[C@H](C)[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000338276510 389103181 /nfs/dbraw/zinc/10/31/81/389103181.db2.gz ASGNVDRWHQSYEF-GJZGRUSLSA-N 2 2 296.459 0.565 20 0 CCADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@H]1CCC[NH+](C)C1 ZINC000338306626 389107850 /nfs/dbraw/zinc/10/78/50/389107850.db2.gz NJUIZMNPOIYONX-HNNXBMFYSA-N 3 2 296.459 0.424 20 0 CCADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@H]1CCC[NH+](C)C1 ZINC000338306626 389107852 /nfs/dbraw/zinc/10/78/52/389107852.db2.gz NJUIZMNPOIYONX-HNNXBMFYSA-N 3 2 296.459 0.424 20 0 CCADLP C[NH+](CCC(=O)N1CC[NH+](C)CC1)C[C@H]1CCC[N@H+](C)C1 ZINC000338306626 389107855 /nfs/dbraw/zinc/10/78/55/389107855.db2.gz NJUIZMNPOIYONX-HNNXBMFYSA-N 3 2 296.459 0.424 20 0 CCADLP C[NH+](CCC(=O)N1CC[NH+](C)CC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000338306626 389107856 /nfs/dbraw/zinc/10/78/56/389107856.db2.gz NJUIZMNPOIYONX-HNNXBMFYSA-N 3 2 296.459 0.424 20 0 CCADLP CCC[C@@H](C(=O)OCC)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313335127 389112253 /nfs/dbraw/zinc/11/22/53/389112253.db2.gz HGSFTESKRVUUSM-NEPJUHHUSA-N 2 2 258.362 0.768 20 0 CCADLP CCC[C@@H](C(=O)OCC)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313335127 389112256 /nfs/dbraw/zinc/11/22/56/389112256.db2.gz HGSFTESKRVUUSM-NEPJUHHUSA-N 2 2 258.362 0.768 20 0 CCADLP Cn1c[nH+]c(CC[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000313266116 389112472 /nfs/dbraw/zinc/11/24/72/389112472.db2.gz QCJIWOFVVBMPMZ-CYBMUJFWSA-N 3 2 252.362 0.009 20 0 CCADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313353150 389113297 /nfs/dbraw/zinc/11/32/97/389113297.db2.gz OSFLHFJYVXWASG-NWDGAFQWSA-N 2 2 257.378 0.197 20 0 CCADLP CC(C)CNC(=O)[C@H](C)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313353150 389113299 /nfs/dbraw/zinc/11/32/99/389113299.db2.gz OSFLHFJYVXWASG-NWDGAFQWSA-N 2 2 257.378 0.197 20 0 CCADLP COC1(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)CCCC1 ZINC000319855329 389121793 /nfs/dbraw/zinc/12/17/93/389121793.db2.gz LLYFTGPVEHRTGA-ZDUSSCGKSA-N 2 2 255.406 0.781 20 0 CCADLP COC1(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)CCCC1 ZINC000319855329 389121794 /nfs/dbraw/zinc/12/17/94/389121794.db2.gz LLYFTGPVEHRTGA-ZDUSSCGKSA-N 2 2 255.406 0.781 20 0 CCADLP O=S1(=O)CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000226831321 389148788 /nfs/dbraw/zinc/14/87/88/389148788.db2.gz PNCJINGDYNEIGY-FRRDWIJNSA-N 2 2 272.414 0.780 20 0 CCADLP O=S1(=O)CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000226831321 389148790 /nfs/dbraw/zinc/14/87/90/389148790.db2.gz PNCJINGDYNEIGY-FRRDWIJNSA-N 2 2 272.414 0.780 20 0 CCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C[NH+](C)[C@H]1CCSC1 ZINC000356852150 389129256 /nfs/dbraw/zinc/12/92/56/389129256.db2.gz MYFJMAOMUWBZML-UPJWGTAASA-N 2 2 285.457 0.975 20 0 CCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C[NH+](C)[C@H]1CCSC1 ZINC000356852150 389129258 /nfs/dbraw/zinc/12/92/58/389129258.db2.gz MYFJMAOMUWBZML-UPJWGTAASA-N 2 2 285.457 0.975 20 0 CCADLP C[C@@H]1[C@@H](C)[NH+](C)CCN1C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000356852150 389129260 /nfs/dbraw/zinc/12/92/60/389129260.db2.gz MYFJMAOMUWBZML-UPJWGTAASA-N 2 2 285.457 0.975 20 0 CCADLP C[C@@H]1[C@@H](C)[NH+](C)CCN1C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000356852150 389129262 /nfs/dbraw/zinc/12/92/62/389129262.db2.gz MYFJMAOMUWBZML-UPJWGTAASA-N 2 2 285.457 0.975 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@H](C)[NH+]1C ZINC000339617623 389135397 /nfs/dbraw/zinc/13/53/97/389135397.db2.gz AYKVXYQMFBRTRJ-NMWPEEMBSA-N 2 2 267.417 0.874 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@H](C)[NH+]1C ZINC000339617623 389135400 /nfs/dbraw/zinc/13/54/00/389135400.db2.gz AYKVXYQMFBRTRJ-NMWPEEMBSA-N 2 2 267.417 0.874 20 0 CCADLP C[C@@H]1CN(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)C[C@H](C)[N@H+]1C ZINC000339617623 389135403 /nfs/dbraw/zinc/13/54/03/389135403.db2.gz AYKVXYQMFBRTRJ-NMWPEEMBSA-N 2 2 267.417 0.874 20 0 CCADLP C[C@@H]1CN(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)C[C@H](C)[N@@H+]1C ZINC000339617623 389135406 /nfs/dbraw/zinc/13/54/06/389135406.db2.gz AYKVXYQMFBRTRJ-NMWPEEMBSA-N 2 2 267.417 0.874 20 0 CCADLP C[C@H](C(=O)NCC[NH+]1CCOCC1)[C@@H]([NH3+])c1ccccc1 ZINC000130078212 389198095 /nfs/dbraw/zinc/19/80/95/389198095.db2.gz APUJHOYUNNOJAN-DZGCQCFKSA-N 2 2 291.395 0.771 20 0 CCADLP CNS(=O)(=O)CCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123404207 389155959 /nfs/dbraw/zinc/15/59/59/389155959.db2.gz OUISHJVHGBDINA-NWDGAFQWSA-N 2 2 277.434 0.340 20 0 CCADLP CNS(=O)(=O)CCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123404207 389155960 /nfs/dbraw/zinc/15/59/60/389155960.db2.gz OUISHJVHGBDINA-NWDGAFQWSA-N 2 2 277.434 0.340 20 0 CCADLP CNS(=O)(=O)CCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123404207 389155961 /nfs/dbraw/zinc/15/59/61/389155961.db2.gz OUISHJVHGBDINA-NWDGAFQWSA-N 2 2 277.434 0.340 20 0 CCADLP CNS(=O)(=O)CCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123404207 389155962 /nfs/dbraw/zinc/15/59/62/389155962.db2.gz OUISHJVHGBDINA-NWDGAFQWSA-N 2 2 277.434 0.340 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000359030468 389165191 /nfs/dbraw/zinc/16/51/91/389165191.db2.gz NTNLIOVSXVZFGS-GHMZBOCLSA-N 2 2 260.403 0.493 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000359030468 389165192 /nfs/dbraw/zinc/16/51/92/389165192.db2.gz NTNLIOVSXVZFGS-GHMZBOCLSA-N 2 2 260.403 0.493 20 0 CCADLP CN(Cc1ncnn1C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363482023 389249047 /nfs/dbraw/zinc/24/90/47/389249047.db2.gz XCVOCZKFODYLHO-CQSZACIVSA-N 2 2 292.431 0.415 20 0 CCADLP CN(Cc1ncnn1C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363482023 389249049 /nfs/dbraw/zinc/24/90/49/389249049.db2.gz XCVOCZKFODYLHO-CQSZACIVSA-N 2 2 292.431 0.415 20 0 CCADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1CC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000343581098 389267422 /nfs/dbraw/zinc/26/74/22/389267422.db2.gz LMUFCYTXAYBILI-ZQDZILKHSA-N 2 2 267.417 0.874 20 0 CCADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1CC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000343581098 389267425 /nfs/dbraw/zinc/26/74/25/389267425.db2.gz LMUFCYTXAYBILI-ZQDZILKHSA-N 2 2 267.417 0.874 20 0 CCADLP C[C@H]1C[NH+](C)[C@@H](C)CN1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000343581098 389267430 /nfs/dbraw/zinc/26/74/30/389267430.db2.gz LMUFCYTXAYBILI-ZQDZILKHSA-N 2 2 267.417 0.874 20 0 CCADLP C[C@H]1C[NH+](C)[C@@H](C)CN1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000343581098 389267433 /nfs/dbraw/zinc/26/74/33/389267433.db2.gz LMUFCYTXAYBILI-ZQDZILKHSA-N 2 2 267.417 0.874 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000248981452 389251088 /nfs/dbraw/zinc/25/10/88/389251088.db2.gz FPVMGOQTLLIUMF-VOAKCMCISA-N 2 2 269.389 0.149 20 0 CCADLP CC[C@@H]1CN(CC[N@@H+]2CCOC[C@@H]2C)CC[NH+]1C[C@H](C)O ZINC000249098391 389252691 /nfs/dbraw/zinc/25/26/91/389252691.db2.gz VUXKHYYBLSCDEM-HRCADAONSA-N 2 2 299.459 0.484 20 0 CCADLP CC[C@@H]1CN(CC[N@H+]2CCOC[C@@H]2C)CC[NH+]1C[C@H](C)O ZINC000249098391 389252692 /nfs/dbraw/zinc/25/26/92/389252692.db2.gz VUXKHYYBLSCDEM-HRCADAONSA-N 2 2 299.459 0.484 20 0 CCADLP CC[C@@H]1CN(CC[NH+]2CCOC[C@@H]2C)CC[N@@H+]1C[C@H](C)O ZINC000249098391 389252693 /nfs/dbraw/zinc/25/26/93/389252693.db2.gz VUXKHYYBLSCDEM-HRCADAONSA-N 2 2 299.459 0.484 20 0 CCADLP CC[C@@H]1CN(CC[NH+]2CCOC[C@@H]2C)CC[N@H+]1C[C@H](C)O ZINC000249098391 389252696 /nfs/dbraw/zinc/25/26/96/389252696.db2.gz VUXKHYYBLSCDEM-HRCADAONSA-N 2 2 299.459 0.484 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000364472952 389268515 /nfs/dbraw/zinc/26/85/15/389268515.db2.gz ZDBUZEAWEPJKGP-CYBMUJFWSA-N 2 2 292.383 0.236 20 0 CCADLP CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@H]1CCC[N@@H+](C)C1 ZINC000247057791 389236201 /nfs/dbraw/zinc/23/62/01/389236201.db2.gz ZOYCDQQIVIMKOG-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)NCC[NH+](C)C ZINC000133746708 389239175 /nfs/dbraw/zinc/23/91/75/389239175.db2.gz KJNPPFYZOKKLMB-UHFFFAOYSA-N 2 2 267.377 0.900 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000345623794 389310343 /nfs/dbraw/zinc/31/03/43/389310343.db2.gz MMSDRLURHGBROB-KGLIPLIRSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000345623794 389310345 /nfs/dbraw/zinc/31/03/45/389310345.db2.gz MMSDRLURHGBROB-KGLIPLIRSA-N 2 2 281.400 0.404 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCC[C@@H]2C(=O)NC)C1 ZINC000345839134 389316640 /nfs/dbraw/zinc/31/66/40/389316640.db2.gz GCXRKRGUBNVKBX-ZDEQEGDKSA-N 2 2 253.390 0.831 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCC[C@@H]2C(=O)NC)C1 ZINC000345839134 389316643 /nfs/dbraw/zinc/31/66/43/389316643.db2.gz GCXRKRGUBNVKBX-ZDEQEGDKSA-N 2 2 253.390 0.831 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000367085067 389319175 /nfs/dbraw/zinc/31/91/75/389319175.db2.gz OUWGYFSLPWDXGA-CQSZACIVSA-N 2 2 285.351 0.841 20 0 CCADLP CC(C)[C@@H](O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367584475 389334422 /nfs/dbraw/zinc/33/44/22/389334422.db2.gz JWFWDBDRVBIITI-HUUCEWRRSA-N 2 2 297.443 0.630 20 0 CCADLP CC(C)[C@@H](O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367584475 389334424 /nfs/dbraw/zinc/33/44/24/389334424.db2.gz JWFWDBDRVBIITI-HUUCEWRRSA-N 2 2 297.443 0.630 20 0 CCADLP C[C@H]1C[C@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC000345267814 389296032 /nfs/dbraw/zinc/29/60/32/389296032.db2.gz ARJASVLDPLSZBJ-UONOGXRCSA-N 2 2 297.443 0.944 20 0 CCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)CC[C@@H]21 ZINC000262999581 389297218 /nfs/dbraw/zinc/29/72/18/389297218.db2.gz OPMKHNCWDZLSPN-UTUOFQBUSA-N 2 2 287.354 0.926 20 0 CCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)CC[C@@H]21 ZINC000262999581 389297220 /nfs/dbraw/zinc/29/72/20/389297220.db2.gz OPMKHNCWDZLSPN-UTUOFQBUSA-N 2 2 287.354 0.926 20 0 CCADLP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cnccn1 ZINC000268859759 389393558 /nfs/dbraw/zinc/39/35/58/389393558.db2.gz RWGDUSGQJSUGKJ-NEPJUHHUSA-N 2 2 250.346 0.584 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCn2cc[nH+]c2C1 ZINC000332927518 389394439 /nfs/dbraw/zinc/39/44/39/389394439.db2.gz VGWYCRBTEZVQIU-WCQYABFASA-N 2 2 289.383 0.891 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCn2cc[nH+]c2C1 ZINC000332927518 389394442 /nfs/dbraw/zinc/39/44/42/389394442.db2.gz VGWYCRBTEZVQIU-WCQYABFASA-N 2 2 289.383 0.891 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cnccn1 ZINC000268920880 389395686 /nfs/dbraw/zinc/39/56/86/389395686.db2.gz OUWFQMKMLUXLSP-AAEUAGOBSA-N 2 2 277.372 0.467 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cnccn1 ZINC000268920880 389395689 /nfs/dbraw/zinc/39/56/89/389395689.db2.gz OUWFQMKMLUXLSP-AAEUAGOBSA-N 2 2 277.372 0.467 20 0 CCADLP C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000333529262 389418398 /nfs/dbraw/zinc/41/83/98/389418398.db2.gz XUAKSVBPRFRJOY-ONGXEEELSA-N 2 2 265.361 0.100 20 0 CCADLP CN(C)c1ccc(CNC(=O)C[NH2+]CC2CC2)c[nH+]1 ZINC000269232164 389409103 /nfs/dbraw/zinc/40/91/03/389409103.db2.gz JEAYQIPIYDMXAD-UHFFFAOYSA-N 2 2 262.357 0.763 20 0 CCADLP O=C(C[C@H]1C[NH2+]CCO1)NCc1ccn2cc[nH+]c2c1 ZINC000269249688 389410504 /nfs/dbraw/zinc/41/05/04/389410504.db2.gz GMAKDZOYBOCSMH-LBPRGKRZSA-N 2 2 274.324 0.329 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C[C@H]2CCC[NH+]2C)CCO1 ZINC000421005979 389345432 /nfs/dbraw/zinc/34/54/32/389345432.db2.gz VQXVWAAGUVCVGM-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C[C@H]2CCC[NH+]2C)CCO1 ZINC000421005979 389345436 /nfs/dbraw/zinc/34/54/36/389345436.db2.gz VQXVWAAGUVCVGM-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@@H]1C[NH+](CCN(C)C[C@H]2CCC[N@@H+]2C)CCO1 ZINC000421005979 389345438 /nfs/dbraw/zinc/34/54/38/389345438.db2.gz VQXVWAAGUVCVGM-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@@H]1C[NH+](CCN(C)C[C@H]2CCC[N@H+]2C)CCO1 ZINC000421005979 389345441 /nfs/dbraw/zinc/34/54/41/389345441.db2.gz VQXVWAAGUVCVGM-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1CCCC[NH2+]1 ZINC000422743523 389464885 /nfs/dbraw/zinc/46/48/85/389464885.db2.gz RQNUJJYWRTWLNJ-KKUMJFAQSA-N 3 2 296.459 0.694 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1CCCC[NH2+]1 ZINC000422743523 389464888 /nfs/dbraw/zinc/46/48/88/389464888.db2.gz RQNUJJYWRTWLNJ-KKUMJFAQSA-N 3 2 296.459 0.694 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NCC[NH+]1CCOCC1(C)C ZINC000170866841 389466168 /nfs/dbraw/zinc/46/61/68/389466168.db2.gz OWUKTPBDAZMKNU-UHFFFAOYSA-N 2 2 271.405 0.554 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NCC[NH+]1CCOCC1(C)C ZINC000170866841 389466174 /nfs/dbraw/zinc/46/61/74/389466174.db2.gz OWUKTPBDAZMKNU-UHFFFAOYSA-N 2 2 271.405 0.554 20 0 CCADLP CC(C)[NH+](C)CC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170866841 389466177 /nfs/dbraw/zinc/46/61/77/389466177.db2.gz OWUKTPBDAZMKNU-UHFFFAOYSA-N 2 2 271.405 0.554 20 0 CCADLP CC(C)[NH+](C)CC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170866841 389466180 /nfs/dbraw/zinc/46/61/80/389466180.db2.gz OWUKTPBDAZMKNU-UHFFFAOYSA-N 2 2 271.405 0.554 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000422750286 389468080 /nfs/dbraw/zinc/46/80/80/389468080.db2.gz CQKBCKNMKYEEMN-RRFJBIMHSA-N 2 2 297.443 0.992 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000422750286 389468082 /nfs/dbraw/zinc/46/80/82/389468082.db2.gz CQKBCKNMKYEEMN-RRFJBIMHSA-N 2 2 297.443 0.992 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCC[N@@H+]1CCCC[C@H]1C ZINC000422859102 389494098 /nfs/dbraw/zinc/49/40/98/389494098.db2.gz JRLDNTZJMABBFY-HZSPNIEDSA-N 2 2 283.416 0.744 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCC[N@H+]1CCCC[C@H]1C ZINC000422859102 389494101 /nfs/dbraw/zinc/49/41/01/389494101.db2.gz JRLDNTZJMABBFY-HZSPNIEDSA-N 2 2 283.416 0.744 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1NCCC[NH+]1CCCCC1 ZINC000422780059 389473498 /nfs/dbraw/zinc/47/34/98/389473498.db2.gz GRTBSJDPHIVNDX-KGLIPLIRSA-N 2 2 283.416 0.746 20 0 CCADLP C[C@H](CC[NH3+])NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000349996893 389475392 /nfs/dbraw/zinc/47/53/92/389475392.db2.gz XJRGRXZHOZTLCT-CYBMUJFWSA-N 2 2 291.395 0.986 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000422822339 389482900 /nfs/dbraw/zinc/48/29/00/389482900.db2.gz AQPVKRIUJDJRPE-LLVKDONJSA-N 2 2 273.340 0.853 20 0 CCADLP c1cncc(CC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422823040 389483053 /nfs/dbraw/zinc/48/30/53/389483053.db2.gz CKISCMZAMXEUDI-HUUCEWRRSA-N 2 2 261.369 0.981 20 0 CCADLP CCCNC(=O)C[NH+]1CCC(N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422844504 389490008 /nfs/dbraw/zinc/49/00/08/389490008.db2.gz LZKZKHYPNYCFES-DZGCQCFKSA-N 2 2 296.459 0.565 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000422864228 389495256 /nfs/dbraw/zinc/49/52/56/389495256.db2.gz UQTPIQBCDCXTHS-AEGPPILISA-N 2 2 295.427 0.887 20 0 CCADLP c1cn(CC[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c[nH+]1 ZINC000163260575 389427247 /nfs/dbraw/zinc/42/72/47/389427247.db2.gz CBEUFFLFOFTDGF-STQMWFEESA-N 2 2 251.330 0.763 20 0 CCADLP c1cn(CC[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c[nH+]1 ZINC000163260575 389427252 /nfs/dbraw/zinc/42/72/52/389427252.db2.gz CBEUFFLFOFTDGF-STQMWFEESA-N 2 2 251.330 0.763 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000422864228 389495257 /nfs/dbraw/zinc/49/52/57/389495257.db2.gz UQTPIQBCDCXTHS-AEGPPILISA-N 2 2 295.427 0.887 20 0 CCADLP [NH3+]C[C@@H](NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1)C1CC1 ZINC000422863871 389495277 /nfs/dbraw/zinc/49/52/77/389495277.db2.gz SPNBYAFGNJTJRY-ZIAGYGMSSA-N 2 2 281.400 0.341 20 0 CCADLP [NH3+]C[C@@H](NC(=O)[C@H]1COCC[N@H+]1CC1CCC1)C1CC1 ZINC000422863871 389495280 /nfs/dbraw/zinc/49/52/80/389495280.db2.gz SPNBYAFGNJTJRY-ZIAGYGMSSA-N 2 2 281.400 0.341 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000164458531 389434790 /nfs/dbraw/zinc/43/47/90/389434790.db2.gz CHSANHIKTUVNLI-HNNXBMFYSA-N 2 2 291.395 0.867 20 0 CCADLP CO[C@@H](C)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000168630368 389450619 /nfs/dbraw/zinc/45/06/19/389450619.db2.gz BVSRSOMUTZUWKL-LBPRGKRZSA-N 2 2 271.405 0.506 20 0 CCADLP CO[C@@H](C)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000168630368 389450624 /nfs/dbraw/zinc/45/06/24/389450624.db2.gz BVSRSOMUTZUWKL-LBPRGKRZSA-N 2 2 271.405 0.506 20 0 CCADLP CC[C@H](C)NC(=O)CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422699290 389454262 /nfs/dbraw/zinc/45/42/62/389454262.db2.gz CXKAPYDVXDHMRU-LNSITVRQSA-N 2 2 283.416 0.648 20 0 CCADLP O=C(NCCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)C1CCC1 ZINC000422918131 389506017 /nfs/dbraw/zinc/50/60/17/389506017.db2.gz GQPWZIPNDPSIHQ-LSDHHAIUSA-N 2 2 295.427 0.649 20 0 CCADLP FC(F)(F)COCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422928400 389507101 /nfs/dbraw/zinc/50/71/01/389507101.db2.gz KIUWYBSSQJUCJG-WDEREUQCSA-N 2 2 282.306 0.922 20 0 CCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)NCCn1cc[nH+]c1 ZINC000334889811 389507733 /nfs/dbraw/zinc/50/77/33/389507733.db2.gz XGYJZEQGMCWJLM-LBPRGKRZSA-N 2 2 265.361 0.619 20 0 CCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)NCCn1cc[nH+]c1 ZINC000334889811 389507737 /nfs/dbraw/zinc/50/77/37/389507737.db2.gz XGYJZEQGMCWJLM-LBPRGKRZSA-N 2 2 265.361 0.619 20 0 CCADLP CC[C@H]([NH2+]CCS(=O)(=O)NC(C)C)[C@@H]1CCC[NH2+]1 ZINC000422943494 389509037 /nfs/dbraw/zinc/50/90/37/389509037.db2.gz KLZUGXVXNQNJHA-RYUDHWBXSA-N 2 2 277.434 0.434 20 0 CCADLP COC(=O)CNC(=O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000173951071 389511705 /nfs/dbraw/zinc/51/17/05/389511705.db2.gz FVQKIYFHMZWHOL-GFCCVEGCSA-N 2 2 285.388 0.082 20 0 CCADLP COC(=O)CNC(=O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000173951071 389511708 /nfs/dbraw/zinc/51/17/08/389511708.db2.gz FVQKIYFHMZWHOL-GFCCVEGCSA-N 2 2 285.388 0.082 20 0 CCADLP COC(=O)CNC(=O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000173951071 389511709 /nfs/dbraw/zinc/51/17/09/389511709.db2.gz FVQKIYFHMZWHOL-GFCCVEGCSA-N 2 2 285.388 0.082 20 0 CCADLP COC(=O)CNC(=O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000173951071 389511713 /nfs/dbraw/zinc/51/17/13/389511713.db2.gz FVQKIYFHMZWHOL-GFCCVEGCSA-N 2 2 285.388 0.082 20 0 CCADLP CC[NH+]1CCN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000334987119 389517890 /nfs/dbraw/zinc/51/78/90/389517890.db2.gz AQYPUHDMKFGPNE-NSHDSACASA-N 2 2 277.372 0.614 20 0 CCADLP CCOC(=O)[C@@H](CC)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174727471 389527671 /nfs/dbraw/zinc/52/76/71/389527671.db2.gz PYEXYCPJKLFPDY-CQSZACIVSA-N 2 2 285.432 0.897 20 0 CCADLP CCOC(=O)[C@@H](CC)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174727471 389527673 /nfs/dbraw/zinc/52/76/73/389527673.db2.gz PYEXYCPJKLFPDY-CQSZACIVSA-N 2 2 285.432 0.897 20 0 CCADLP CC(C)[C@H](CO)C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423110938 389536631 /nfs/dbraw/zinc/53/66/31/389536631.db2.gz PODOZUJNUIQMAZ-IHRRRGAJSA-N 2 2 256.390 0.608 20 0 CCADLP COc1ccc(C[NH2+][C@@H](C)C2C[NH2+]C2)c(OC)n1 ZINC000423131633 389539742 /nfs/dbraw/zinc/53/97/42/389539742.db2.gz BDSHEFNDCMXTMI-VIFPVBQESA-N 2 2 251.330 0.796 20 0 CCADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000335312388 389548586 /nfs/dbraw/zinc/54/85/86/389548586.db2.gz VQKHJHBHEHDFCB-CMPLNLGQSA-N 2 2 273.327 0.586 20 0 CCADLP CC[C@@H](C(=O)N1CC[N@H+](CCC(=O)OC)[C@@H](C)C1)[NH+](C)C ZINC000413679108 389548785 /nfs/dbraw/zinc/54/87/85/389548785.db2.gz YJCPKXOYRHMOFU-STQMWFEESA-N 2 2 299.415 0.422 20 0 CCADLP CC[C@@H](C(=O)N1CC[N@@H+](CCC(=O)OC)[C@@H](C)C1)[NH+](C)C ZINC000413679108 389548786 /nfs/dbraw/zinc/54/87/86/389548786.db2.gz YJCPKXOYRHMOFU-STQMWFEESA-N 2 2 299.415 0.422 20 0 CCADLP CNC(=O)C[C@H](C)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423232823 389555374 /nfs/dbraw/zinc/55/53/74/389555374.db2.gz NODHQPUOPMLWJQ-NSHDSACASA-N 2 2 277.372 0.428 20 0 CCADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)c1 ZINC000423267228 389558961 /nfs/dbraw/zinc/55/89/61/389558961.db2.gz CNHJWTKGYCJGEQ-IINYFYTJSA-N 2 2 297.424 0.983 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000422867295 389496435 /nfs/dbraw/zinc/49/64/35/389496435.db2.gz RZYLYCGXRQVCEC-MELADBBJSA-N 2 2 283.416 0.731 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000422867295 389496440 /nfs/dbraw/zinc/49/64/40/389496440.db2.gz RZYLYCGXRQVCEC-MELADBBJSA-N 2 2 283.416 0.731 20 0 CCADLP CC(=O)N1CCN(CC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000422866785 389496575 /nfs/dbraw/zinc/49/65/75/389496575.db2.gz QXTBXJVDSKCWGA-HIFRSBDPSA-N 2 2 282.432 0.271 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1NCC[N@H+](CC)C(C)C ZINC000422879190 389498798 /nfs/dbraw/zinc/49/87/98/389498798.db2.gz LQNNIZFPPGWBSV-OLZOCXBDSA-N 2 2 271.405 0.600 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1NCC[N@@H+](CC)C(C)C ZINC000422879190 389498801 /nfs/dbraw/zinc/49/88/01/389498801.db2.gz LQNNIZFPPGWBSV-OLZOCXBDSA-N 2 2 271.405 0.600 20 0 CCADLP CC(C)([NH3+])CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000422887800 389499809 /nfs/dbraw/zinc/49/98/09/389499809.db2.gz ZNPJYYOEDDHCPS-GFCCVEGCSA-N 2 2 269.389 0.483 20 0 CCADLP CC(C)([NH3+])CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000422887800 389499813 /nfs/dbraw/zinc/49/98/13/389499813.db2.gz ZNPJYYOEDDHCPS-GFCCVEGCSA-N 2 2 269.389 0.483 20 0 CCADLP C(COCC1CC1)[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422889913 389500100 /nfs/dbraw/zinc/50/01/00/389500100.db2.gz QTVKAGDPYQDAEB-KBPBESRZSA-N 2 2 254.374 0.770 20 0 CCADLP CN1CCC[C@@H]1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422905779 389503548 /nfs/dbraw/zinc/50/35/48/389503548.db2.gz SSIOWRSXIRSLIO-MGPQQGTHSA-N 2 2 253.390 0.437 20 0 CCADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)C[C@@H]3CCCC[C@H]3[NH3+])C[C@@H]21 ZINC000423934262 389616022 /nfs/dbraw/zinc/61/60/22/389616022.db2.gz VEFOQDXVJYTMIT-LJISPDSOSA-N 2 2 295.427 0.826 20 0 CCADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)C[C@@H]3CCCC[C@H]3[NH3+])C[C@@H]21 ZINC000423934262 389616030 /nfs/dbraw/zinc/61/60/30/389616030.db2.gz VEFOQDXVJYTMIT-LJISPDSOSA-N 2 2 295.427 0.826 20 0 CCADLP CC(C)OC[C@H](CO)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351649596 389647346 /nfs/dbraw/zinc/64/73/46/389647346.db2.gz NKMGVOYIUGTNKM-KBPBESRZSA-N 2 2 274.405 0.159 20 0 CCADLP CC(C)OC[C@H](CO)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351649596 389647347 /nfs/dbraw/zinc/64/73/47/389647347.db2.gz NKMGVOYIUGTNKM-KBPBESRZSA-N 2 2 274.405 0.159 20 0 CCADLP CC(C)OC[C@H](CO)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351649596 389647351 /nfs/dbraw/zinc/64/73/51/389647351.db2.gz NKMGVOYIUGTNKM-KBPBESRZSA-N 2 2 274.405 0.159 20 0 CCADLP CC(C)OC[C@H](CO)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351649596 389647355 /nfs/dbraw/zinc/64/73/55/389647355.db2.gz NKMGVOYIUGTNKM-KBPBESRZSA-N 2 2 274.405 0.159 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3n[nH]cc3C)C2)CC1 ZINC000375059071 389633315 /nfs/dbraw/zinc/63/33/15/389633315.db2.gz NAICWTQWHSUPIW-CQSZACIVSA-N 2 2 277.416 0.930 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3n[nH]cc3C)C2)CC1 ZINC000375059071 389633318 /nfs/dbraw/zinc/63/33/18/389633318.db2.gz NAICWTQWHSUPIW-CQSZACIVSA-N 2 2 277.416 0.930 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3[nH]ncc3C)C2)CC1 ZINC000375059071 389633322 /nfs/dbraw/zinc/63/33/22/389633322.db2.gz NAICWTQWHSUPIW-CQSZACIVSA-N 2 2 277.416 0.930 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3[nH]ncc3C)C2)CC1 ZINC000375059071 389633326 /nfs/dbraw/zinc/63/33/26/389633326.db2.gz NAICWTQWHSUPIW-CQSZACIVSA-N 2 2 277.416 0.930 20 0 CCADLP COC(=O)[C@@H]1COCC[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414744274 389634509 /nfs/dbraw/zinc/63/45/09/389634509.db2.gz PIISQLNMAQXLGK-UTUOFQBUSA-N 2 2 256.346 0.248 20 0 CCADLP COC(=O)[C@@H]1COCC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414744274 389634511 /nfs/dbraw/zinc/63/45/11/389634511.db2.gz PIISQLNMAQXLGK-UTUOFQBUSA-N 2 2 256.346 0.248 20 0 CCADLP CC[NH2+]CC[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000414821912 389639612 /nfs/dbraw/zinc/63/96/12/389639612.db2.gz CXBNXBSKCKOQSV-UHFFFAOYSA-N 2 2 261.325 0.482 20 0 CCADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CC[NH2+]C1 ZINC000414892792 389643814 /nfs/dbraw/zinc/64/38/14/389643814.db2.gz YOICTLQMNGMYPI-SCZZXKLOSA-N 2 2 273.178 0.986 20 0 CCADLP C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H]1CC[NH2+]C1 ZINC000414892794 389644349 /nfs/dbraw/zinc/64/43/49/389644349.db2.gz YOICTLQMNGMYPI-WPRPVWTQSA-N 2 2 273.178 0.986 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H](C)C1 ZINC000335567088 389575583 /nfs/dbraw/zinc/57/55/83/389575583.db2.gz XRMCMBAEDYQSJW-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H](C)C1 ZINC000335567088 389575586 /nfs/dbraw/zinc/57/55/86/389575586.db2.gz XRMCMBAEDYQSJW-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000423379029 389576383 /nfs/dbraw/zinc/57/63/83/389576383.db2.gz LMGUALOMNCRFOD-MNOVXSKESA-N 2 2 285.413 0.983 20 0 CCADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000423390098 389577869 /nfs/dbraw/zinc/57/78/69/389577869.db2.gz VRZSDSKAJNKOTR-WOPDTQHZSA-N 2 2 262.419 0.930 20 0 CCADLP CCNC(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000374419906 389578392 /nfs/dbraw/zinc/57/83/92/389578392.db2.gz JKVIJIRIECBGGM-FRRDWIJNSA-N 2 2 269.389 0.306 20 0 CCADLP CCNC(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000374419906 389578394 /nfs/dbraw/zinc/57/83/94/389578394.db2.gz JKVIJIRIECBGGM-FRRDWIJNSA-N 2 2 269.389 0.306 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@H]1[NH2+]CCCC1(C)C ZINC000423402656 389579939 /nfs/dbraw/zinc/57/99/39/389579939.db2.gz YUBOIQPVPMZTAU-YNEHKIRRSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cc(C(N)=O)cs1 ZINC000414929722 389645367 /nfs/dbraw/zinc/64/53/67/389645367.db2.gz OJQFZZSRGLDMHK-GZMMTYOYSA-N 2 2 253.371 0.935 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NC(C)(C)C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000413960878 389586059 /nfs/dbraw/zinc/58/60/59/389586059.db2.gz RGERDZLKSPSCAS-KBPBESRZSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NC(C)(C)C[NH+]2CCOCC2)CC[N@H+]1C ZINC000413960878 389586067 /nfs/dbraw/zinc/58/60/67/389586067.db2.gz RGERDZLKSPSCAS-KBPBESRZSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H]1C[N@@H+](C)CCN1Cc1c[nH+]c(N(C)C)n1C ZINC000425338870 389645555 /nfs/dbraw/zinc/64/55/55/389645555.db2.gz QIUNDCLLOPXLNM-NSHDSACASA-N 2 2 251.378 0.622 20 0 CCADLP COC(=O)c1coc([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000423444306 389588660 /nfs/dbraw/zinc/58/86/60/389588660.db2.gz WOYHBMZGOBDFEO-BXSSEVMYSA-N 2 2 250.298 0.935 20 0 CCADLP CC(C)[C@H](C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)[C@@H](C)[NH3+] ZINC000423456263 389590110 /nfs/dbraw/zinc/59/01/10/389590110.db2.gz NQZKSSHABQNCPA-OCCSQVGLSA-N 2 2 293.415 0.673 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n(C)n1 ZINC000351487876 389590186 /nfs/dbraw/zinc/59/01/86/389590186.db2.gz DAOHNRSIQJYYDA-SRVKXCTJSA-N 2 2 277.372 0.336 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n(C)n1 ZINC000351487876 389590191 /nfs/dbraw/zinc/59/01/91/389590191.db2.gz DAOHNRSIQJYYDA-SRVKXCTJSA-N 2 2 277.372 0.336 20 0 CCADLP [NH3+]CCCCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000423496186 389595582 /nfs/dbraw/zinc/59/55/82/389595582.db2.gz DOKVDBQIISAODH-ZDUSSCGKSA-N 2 2 269.389 0.342 20 0 CCADLP [NH3+]CCCCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000423496186 389595585 /nfs/dbraw/zinc/59/55/85/389595585.db2.gz DOKVDBQIISAODH-ZDUSSCGKSA-N 2 2 269.389 0.342 20 0 CCADLP Cn1c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)nnc1C1CC1 ZINC000351501439 389597756 /nfs/dbraw/zinc/59/77/56/389597756.db2.gz YBCOHCVZDIHLGB-QJPTWQEYSA-N 2 2 261.373 0.862 20 0 CCADLP Cn1c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)nnc1C1CC1 ZINC000351501439 389597761 /nfs/dbraw/zinc/59/77/61/389597761.db2.gz YBCOHCVZDIHLGB-QJPTWQEYSA-N 2 2 261.373 0.862 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(-n2cncn2)cc1 ZINC000423532016 389600075 /nfs/dbraw/zinc/60/00/75/389600075.db2.gz YYYYDBICYCZVKV-WFASDCNBSA-N 2 2 287.367 0.906 20 0 CCADLP CN(C)C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000351515732 389601040 /nfs/dbraw/zinc/60/10/40/389601040.db2.gz UIZQKRQRWRVDTQ-ZDUSSCGKSA-N 2 2 253.390 0.738 20 0 CCADLP CN(C)C(=O)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000351515732 389601044 /nfs/dbraw/zinc/60/10/44/389601044.db2.gz UIZQKRQRWRVDTQ-ZDUSSCGKSA-N 2 2 253.390 0.738 20 0 CCADLP CN(C)C(=O)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000351515732 389601048 /nfs/dbraw/zinc/60/10/48/389601048.db2.gz UIZQKRQRWRVDTQ-ZDUSSCGKSA-N 2 2 253.390 0.738 20 0 CCADLP CN(C)C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000351515732 389601052 /nfs/dbraw/zinc/60/10/52/389601052.db2.gz UIZQKRQRWRVDTQ-ZDUSSCGKSA-N 2 2 253.390 0.738 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)[C@H]1C[C@H]1C ZINC000414109423 389601313 /nfs/dbraw/zinc/60/13/13/389601313.db2.gz HECFAMVKNUZOEG-VOAKCMCISA-N 2 2 253.390 0.960 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)[C@H]1C[C@H]1C ZINC000414109423 389601318 /nfs/dbraw/zinc/60/13/18/389601318.db2.gz HECFAMVKNUZOEG-VOAKCMCISA-N 2 2 253.390 0.960 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@@H](C)[NH2+]C ZINC000423622978 389603080 /nfs/dbraw/zinc/60/30/80/389603080.db2.gz BDIGIVLKBAUXRD-VXGBXAGGSA-N 2 2 257.378 0.211 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@@H](C)[NH2+]C ZINC000423622978 389603083 /nfs/dbraw/zinc/60/30/83/389603083.db2.gz BDIGIVLKBAUXRD-VXGBXAGGSA-N 2 2 257.378 0.211 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1CCC[NH+]1CCOCC1 ZINC000351933103 389717743 /nfs/dbraw/zinc/71/77/43/389717743.db2.gz AAZJYZUQVCPBFR-UONOGXRCSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1CCC[NH+]1CCOCC1 ZINC000351933103 389717745 /nfs/dbraw/zinc/71/77/45/389717745.db2.gz AAZJYZUQVCPBFR-UONOGXRCSA-N 2 2 255.406 0.733 20 0 CCADLP C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCOCC2)C1 ZINC000428750483 389718182 /nfs/dbraw/zinc/71/81/82/389718182.db2.gz PWWVLSRLGOWXIB-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP CC(C)C[C@H]([NH3+])C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414974629 389651197 /nfs/dbraw/zinc/65/11/97/389651197.db2.gz NTUGGDKNEJZRTJ-NWDGAFQWSA-N 3 2 296.381 0.786 20 0 CCADLP COc1cc2c(cc1C[NH2+]C[C@@H]1C[NH2+]CCCO1)OCO2 ZINC000415031721 389652852 /nfs/dbraw/zinc/65/28/52/389652852.db2.gz FCYGJPXTVWMRAX-LBPRGKRZSA-N 2 2 294.351 0.892 20 0 CCADLP C[N@@H+](Cc1cccc2c1OCCO2)C[C@H](O)C[NH3+] ZINC000415055561 389654414 /nfs/dbraw/zinc/65/44/14/389654414.db2.gz NHYZSNRBSJYOAM-LLVKDONJSA-N 2 2 252.314 0.209 20 0 CCADLP C[N@H+](Cc1cccc2c1OCCO2)C[C@H](O)C[NH3+] ZINC000415055561 389654417 /nfs/dbraw/zinc/65/44/17/389654417.db2.gz NHYZSNRBSJYOAM-LLVKDONJSA-N 2 2 252.314 0.209 20 0 CCADLP COCCn1cc(C[NH2+][C@H]2CCCC[NH2+]C2)cn1 ZINC000415065925 389654443 /nfs/dbraw/zinc/65/44/43/389654443.db2.gz HWSGIYMOZYVJSY-ZDUSSCGKSA-N 2 2 252.362 0.761 20 0 CCADLP COC(=O)COc1cccc(C[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000415083560 389656097 /nfs/dbraw/zinc/65/60/97/389656097.db2.gz PVFXFYHEGVGWIG-LBPRGKRZSA-N 2 2 264.325 0.690 20 0 CCADLP C[C@@H]1CC[N@H+](CCCC(=O)NC(N)=O)C[C@@H]1n1cc[nH+]c1 ZINC000179484016 389657444 /nfs/dbraw/zinc/65/74/44/389657444.db2.gz OAHZMYMUPHXXDL-NEPJUHHUSA-N 2 2 293.371 0.741 20 0 CCADLP C[C@@H]1CC[N@@H+](CCCC(=O)NC(N)=O)C[C@@H]1n1cc[nH+]c1 ZINC000179484016 389657447 /nfs/dbraw/zinc/65/74/47/389657447.db2.gz OAHZMYMUPHXXDL-NEPJUHHUSA-N 2 2 293.371 0.741 20 0 CCADLP Cn1c(C[NH2+]C[C@@H]2C[NH2+]CCO2)nc2ccccc21 ZINC000415099762 389659770 /nfs/dbraw/zinc/65/97/70/389659770.db2.gz ZDOJKUXBFAZSFT-NSHDSACASA-N 2 2 260.341 0.651 20 0 CCADLP C[C@@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)C[C@H](C(N)=O)O1 ZINC000351735839 389670083 /nfs/dbraw/zinc/67/00/83/389670083.db2.gz CJHBGTFTJHKNLB-JHJVBQTASA-N 2 2 269.389 0.435 20 0 CCADLP C[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)C[C@H](C(N)=O)O1 ZINC000351735839 389670086 /nfs/dbraw/zinc/67/00/86/389670086.db2.gz CJHBGTFTJHKNLB-JHJVBQTASA-N 2 2 269.389 0.435 20 0 CCADLP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)C[C@H](C(N)=O)O1 ZINC000351735839 389670090 /nfs/dbraw/zinc/67/00/90/389670090.db2.gz CJHBGTFTJHKNLB-JHJVBQTASA-N 2 2 269.389 0.435 20 0 CCADLP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)C[C@H](C(N)=O)O1 ZINC000351735839 389670092 /nfs/dbraw/zinc/67/00/92/389670092.db2.gz CJHBGTFTJHKNLB-JHJVBQTASA-N 2 2 269.389 0.435 20 0 CCADLP C[C@H]1CSCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000180504756 389670604 /nfs/dbraw/zinc/67/06/04/389670604.db2.gz XUTYJOFVLVKJTB-NSHDSACASA-N 2 2 257.403 0.198 20 0 CCADLP C[C@H]1CSCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000180504756 389670606 /nfs/dbraw/zinc/67/06/06/389670606.db2.gz XUTYJOFVLVKJTB-NSHDSACASA-N 2 2 257.403 0.198 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+]2CCC3(CCOCC3)CC2)CC1 ZINC000375391296 389672326 /nfs/dbraw/zinc/67/23/26/389672326.db2.gz MXJFJJYJRUIFCR-UHFFFAOYSA-N 2 2 295.427 0.653 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427846706 389682904 /nfs/dbraw/zinc/68/29/04/389682904.db2.gz IPRRJTLVQNGTTH-GHMZBOCLSA-N 2 2 271.386 0.611 20 0 CCADLP CC[N@@H+]1CCCN(CC[NH+]2CCOC[C@@H]2C)CC1 ZINC000375594499 389689743 /nfs/dbraw/zinc/68/97/43/389689743.db2.gz DDQDWUSQONDFHJ-AWEZNQCLSA-N 2 2 255.406 0.735 20 0 CCADLP CC[N@H+]1CCCN(CC[NH+]2CCOC[C@@H]2C)CC1 ZINC000375594499 389689746 /nfs/dbraw/zinc/68/97/46/389689746.db2.gz DDQDWUSQONDFHJ-AWEZNQCLSA-N 2 2 255.406 0.735 20 0 CCADLP CC[NH+]1CCCN(CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000375594499 389689750 /nfs/dbraw/zinc/68/97/50/389689750.db2.gz DDQDWUSQONDFHJ-AWEZNQCLSA-N 2 2 255.406 0.735 20 0 CCADLP CC[NH+]1CCCN(CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000375594499 389689752 /nfs/dbraw/zinc/68/97/52/389689752.db2.gz DDQDWUSQONDFHJ-AWEZNQCLSA-N 2 2 255.406 0.735 20 0 CCADLP Cc1cc(N2CC[C@H]([N@@H+]3CC[C@H]([C@H](C)[NH3+])C3)C2=O)n(C)n1 ZINC000351859207 389700975 /nfs/dbraw/zinc/70/09/75/389700975.db2.gz FWFPIIDGWRTIMR-AVGNSLFASA-N 2 2 291.399 0.503 20 0 CCADLP Cc1cc(N2CC[C@H]([N@H+]3CC[C@H]([C@H](C)[NH3+])C3)C2=O)n(C)n1 ZINC000351859207 389700979 /nfs/dbraw/zinc/70/09/79/389700979.db2.gz FWFPIIDGWRTIMR-AVGNSLFASA-N 2 2 291.399 0.503 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCCNc1cc[nH+]cc1 ZINC000351955316 389724538 /nfs/dbraw/zinc/72/45/38/389724538.db2.gz IBIJTZVGSQGMTO-UHFFFAOYSA-N 2 2 259.313 0.388 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C[C@H](O)C[N@H+](C)C1CC1 ZINC000352103587 389753321 /nfs/dbraw/zinc/75/33/21/389753321.db2.gz PSGHJMMARWXWRK-VNQPRFMTSA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000352103587 389753324 /nfs/dbraw/zinc/75/33/24/389753324.db2.gz PSGHJMMARWXWRK-VNQPRFMTSA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000352103587 389753325 /nfs/dbraw/zinc/75/33/25/389753325.db2.gz PSGHJMMARWXWRK-VNQPRFMTSA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000352103587 389753327 /nfs/dbraw/zinc/75/33/27/389753327.db2.gz PSGHJMMARWXWRK-VNQPRFMTSA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1C[C@H](N2CCOCC2)C[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000352103587 389753330 /nfs/dbraw/zinc/75/33/30/389753330.db2.gz PSGHJMMARWXWRK-VNQPRFMTSA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1C[C@H](N2CCOCC2)C[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000352103587 389753333 /nfs/dbraw/zinc/75/33/33/389753333.db2.gz PSGHJMMARWXWRK-VNQPRFMTSA-N 2 2 297.443 0.237 20 0 CCADLP COc1ccc(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cn1 ZINC000388406512 389769519 /nfs/dbraw/zinc/76/95/19/389769519.db2.gz FODUDFZVQNOTLL-ZDUSSCGKSA-N 2 2 265.357 0.635 20 0 CCADLP COc1ccc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cn1 ZINC000388406512 389769521 /nfs/dbraw/zinc/76/95/21/389769521.db2.gz FODUDFZVQNOTLL-ZDUSSCGKSA-N 2 2 265.357 0.635 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1CCCOC1 ZINC000389094959 389771878 /nfs/dbraw/zinc/77/18/78/389771878.db2.gz NNDOCKPYBKREEF-KBPBESRZSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1CCCOC1 ZINC000389094959 389771882 /nfs/dbraw/zinc/77/18/82/389771882.db2.gz NNDOCKPYBKREEF-KBPBESRZSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000389094959 389771883 /nfs/dbraw/zinc/77/18/83/389771883.db2.gz NNDOCKPYBKREEF-KBPBESRZSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000389094959 389771887 /nfs/dbraw/zinc/77/18/87/389771887.db2.gz NNDOCKPYBKREEF-KBPBESRZSA-N 2 2 274.405 0.284 20 0 CCADLP O[C@H](C[NH2+]Cc1cnn(CC(F)F)c1)C[NH+]1CCCC1 ZINC000352212373 389772434 /nfs/dbraw/zinc/77/24/34/389772434.db2.gz PGGLWPQHOMQTSB-GFCCVEGCSA-N 2 2 288.342 0.695 20 0 CCADLP CC(C)(C[NH3+])NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000416950648 389783867 /nfs/dbraw/zinc/78/38/67/389783867.db2.gz RVFDFDQXJYJEME-UHFFFAOYSA-N 2 2 275.356 0.913 20 0 CCADLP [NH3+]CCNC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000416999463 389787826 /nfs/dbraw/zinc/78/78/26/389787826.db2.gz ZMTOMYOKSCLBGZ-UHFFFAOYSA-N 2 2 277.372 0.830 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000417027728 389790752 /nfs/dbraw/zinc/79/07/52/389790752.db2.gz NZJKHSYJMHBWHB-FRRDWIJNSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000417035150 389791014 /nfs/dbraw/zinc/79/10/14/389791014.db2.gz REZYYVFRIAJWLG-MJBXVCDLSA-N 2 2 298.431 0.333 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC1(C)CC[NH2+]CC1 ZINC000417041565 389791619 /nfs/dbraw/zinc/79/16/19/389791619.db2.gz WJQIESBDNOLUBD-CYBMUJFWSA-N 2 2 298.431 0.396 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@@H](C)C[N@@H+]1C ZINC000352013281 389735675 /nfs/dbraw/zinc/73/56/75/389735675.db2.gz IIDWISZYRBGFBE-FRRDWIJNSA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@@H](C)C[N@H+]1C ZINC000352013281 389735676 /nfs/dbraw/zinc/73/56/76/389735676.db2.gz IIDWISZYRBGFBE-FRRDWIJNSA-N 2 2 276.384 0.997 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000416435840 389743301 /nfs/dbraw/zinc/74/33/01/389743301.db2.gz HAKVDGPATIELLV-UTUOFQBUSA-N 2 2 265.361 0.663 20 0 CCADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000430541567 389806476 /nfs/dbraw/zinc/80/64/76/389806476.db2.gz BLOADDJYESJVIN-INIZCTEOSA-N 3 2 296.459 0.692 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@@H+]1CCC(=O)NC(=O)NCC(F)(F)F ZINC000430580748 389809501 /nfs/dbraw/zinc/80/95/01/389809501.db2.gz FPCRHSONOYFNDC-QMMMGPOBSA-N 2 2 296.293 0.188 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@H+]1CCC(=O)NC(=O)NCC(F)(F)F ZINC000430580748 389809503 /nfs/dbraw/zinc/80/95/03/389809503.db2.gz FPCRHSONOYFNDC-QMMMGPOBSA-N 2 2 296.293 0.188 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@@H](C)CS(C)(=O)=O ZINC000430584993 389810101 /nfs/dbraw/zinc/81/01/01/389810101.db2.gz QVPDOEDTKSVDCG-VXGBXAGGSA-N 2 2 264.435 0.972 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H](C)CS(C)(=O)=O ZINC000430584993 389810102 /nfs/dbraw/zinc/81/01/02/389810102.db2.gz QVPDOEDTKSVDCG-VXGBXAGGSA-N 2 2 264.435 0.972 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)CC1 ZINC000430591572 389810625 /nfs/dbraw/zinc/81/06/25/389810625.db2.gz KMLFBKUETIJWJC-INIZCTEOSA-N 3 2 296.459 0.692 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000430613148 389813038 /nfs/dbraw/zinc/81/30/38/389813038.db2.gz VBHIGLUBWRKHER-ZDUSSCGKSA-N 2 2 297.424 0.636 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000430613148 389813039 /nfs/dbraw/zinc/81/30/39/389813039.db2.gz VBHIGLUBWRKHER-ZDUSSCGKSA-N 2 2 297.424 0.636 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC[NH2+]1 ZINC000417412729 389813903 /nfs/dbraw/zinc/81/39/03/389813903.db2.gz FTWWDNSRYTTZLA-CHWSQXEVSA-N 2 2 298.431 0.537 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC[NH2+]1 ZINC000417412729 389813906 /nfs/dbraw/zinc/81/39/06/389813906.db2.gz FTWWDNSRYTTZLA-CHWSQXEVSA-N 2 2 298.431 0.537 20 0 CCADLP C[N@H+](CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)C1CC[NH2+]CC1 ZINC000430621836 389813993 /nfs/dbraw/zinc/81/39/93/389813993.db2.gz KKWNLQRGUZGAJJ-LSDHHAIUSA-N 2 2 295.427 0.840 20 0 CCADLP C[N@@H+](CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)C1CC[NH2+]CC1 ZINC000430621836 389813997 /nfs/dbraw/zinc/81/39/97/389813997.db2.gz KKWNLQRGUZGAJJ-LSDHHAIUSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC[NH2+]1 ZINC000417412731 389814075 /nfs/dbraw/zinc/81/40/75/389814075.db2.gz FTWWDNSRYTTZLA-OLZOCXBDSA-N 2 2 298.431 0.537 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC[NH2+]1 ZINC000417412731 389814077 /nfs/dbraw/zinc/81/40/77/389814077.db2.gz FTWWDNSRYTTZLA-OLZOCXBDSA-N 2 2 298.431 0.537 20 0 CCADLP C[N@H+]([C@H]1CCN(CC(F)(F)F)C1=O)C1CC[NH2+]CC1 ZINC000430644975 389815937 /nfs/dbraw/zinc/81/59/37/389815937.db2.gz ULYYQDDHHZTELH-JTQLQIEISA-N 2 2 279.306 0.833 20 0 CCADLP C[N@@H+]([C@H]1CCN(CC(F)(F)F)C1=O)C1CC[NH2+]CC1 ZINC000430644975 389815940 /nfs/dbraw/zinc/81/59/40/389815940.db2.gz ULYYQDDHHZTELH-JTQLQIEISA-N 2 2 279.306 0.833 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)NCc2cccnc2)C1 ZINC000430650549 389816523 /nfs/dbraw/zinc/81/65/23/389816523.db2.gz KEMQERPHUODRPX-LBPRGKRZSA-N 2 2 262.357 0.369 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)NCc2cccnc2)C1 ZINC000430650549 389816525 /nfs/dbraw/zinc/81/65/25/389816525.db2.gz KEMQERPHUODRPX-LBPRGKRZSA-N 2 2 262.357 0.369 20 0 CCADLP C[C@H](CNC(=O)C1CC[NH2+]CC1)Cn1cc[nH+]c1 ZINC000430690335 389818076 /nfs/dbraw/zinc/81/80/76/389818076.db2.gz HMNHBLLWEAEETF-LLVKDONJSA-N 2 2 250.346 0.635 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000417502678 389821540 /nfs/dbraw/zinc/82/15/40/389821540.db2.gz JWVFHLYRTDCNKW-OLZOCXBDSA-N 2 2 298.431 0.394 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000417502678 389821541 /nfs/dbraw/zinc/82/15/41/389821541.db2.gz JWVFHLYRTDCNKW-OLZOCXBDSA-N 2 2 298.431 0.394 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000417502113 389822003 /nfs/dbraw/zinc/82/20/03/389822003.db2.gz JOQWOYPQLXSYOJ-GFCCVEGCSA-N 2 2 286.420 0.394 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000417502113 389822007 /nfs/dbraw/zinc/82/20/07/389822007.db2.gz JOQWOYPQLXSYOJ-GFCCVEGCSA-N 2 2 286.420 0.394 20 0 CCADLP Cc1cnn(C)c1C[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000352748101 389835775 /nfs/dbraw/zinc/83/57/75/389835775.db2.gz HCRNPQIVTDMWTP-LBPRGKRZSA-N 2 2 266.389 0.786 20 0 CCADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000430951336 389839070 /nfs/dbraw/zinc/83/90/70/389839070.db2.gz VCVALHMEEONRBT-JSGCOSHPSA-N 2 2 289.379 0.387 20 0 CCADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000430951336 389839073 /nfs/dbraw/zinc/83/90/73/389839073.db2.gz VCVALHMEEONRBT-JSGCOSHPSA-N 2 2 289.379 0.387 20 0 CCADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)C1 ZINC000430951335 389839139 /nfs/dbraw/zinc/83/91/39/389839139.db2.gz VCVALHMEEONRBT-GXTWGEPZSA-N 2 2 289.379 0.387 20 0 CCADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2Cc3ccccc3O2)C1 ZINC000430951335 389839142 /nfs/dbraw/zinc/83/91/42/389839142.db2.gz VCVALHMEEONRBT-GXTWGEPZSA-N 2 2 289.379 0.387 20 0 CCADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)NC(=O)Nc2ccccc2)C1 ZINC000430958643 389839905 /nfs/dbraw/zinc/83/99/05/389839905.db2.gz UAXOVWUVCQPOTC-NSHDSACASA-N 2 2 276.340 0.615 20 0 CCADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)NC(=O)Nc2ccccc2)C1 ZINC000430958643 389839909 /nfs/dbraw/zinc/83/99/09/389839909.db2.gz UAXOVWUVCQPOTC-NSHDSACASA-N 2 2 276.340 0.615 20 0 CCADLP Cc1ccsc1CNC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430968054 389841722 /nfs/dbraw/zinc/84/17/22/389841722.db2.gz VOXPEVAUPIWZPQ-LLVKDONJSA-N 2 2 267.398 0.953 20 0 CCADLP Cc1ccsc1CNC(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430968054 389841726 /nfs/dbraw/zinc/84/17/26/389841726.db2.gz VOXPEVAUPIWZPQ-LLVKDONJSA-N 2 2 267.398 0.953 20 0 CCADLP C[C@@H]1CN(C(=O)[C@]2(C)CC[NH2+]C2)C[C@@H]1[NH+]1CCOCC1 ZINC000431017980 389845010 /nfs/dbraw/zinc/84/50/10/389845010.db2.gz TXRXDRRXNOHZPW-VNHYZAJKSA-N 2 2 281.400 0.165 20 0 CCADLP CCC[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C1CC[NH2+]CC1 ZINC000431079059 389849694 /nfs/dbraw/zinc/84/96/94/389849694.db2.gz HZOOAXSLSNLFPZ-GFCCVEGCSA-N 2 2 298.431 0.043 20 0 CCADLP CCC[N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C1CC[NH2+]CC1 ZINC000431079059 389849695 /nfs/dbraw/zinc/84/96/95/389849695.db2.gz HZOOAXSLSNLFPZ-GFCCVEGCSA-N 2 2 298.431 0.043 20 0 CCADLP C[NH+](C)C1CC[NH+](C[C@H](O)COCC(F)(F)F)CC1 ZINC000431110195 389850091 /nfs/dbraw/zinc/85/00/91/389850091.db2.gz YQUIZGGYUOHMDO-NSHDSACASA-N 2 2 284.322 0.952 20 0 CCADLP [NH3+]CC(F)(F)CNC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000417816157 389852293 /nfs/dbraw/zinc/85/22/93/389852293.db2.gz UHWQNJLYZAGRNX-VIFPVBQESA-N 2 2 279.237 0.675 20 0 CCADLP C[C@@H]([NH3+])CN1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000442656265 389853743 /nfs/dbraw/zinc/85/37/43/389853743.db2.gz FHDHEGRNTWTFBG-CYBMUJFWSA-N 2 2 282.432 0.400 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000417885408 389861027 /nfs/dbraw/zinc/86/10/27/389861027.db2.gz IWYIQKJDDOQYMG-ZJUUUORDSA-N 2 2 261.329 0.869 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](CO)C2CC2)n1C ZINC000419752029 389910824 /nfs/dbraw/zinc/91/08/24/389910824.db2.gz VNSORVZUDZPGAH-LLVKDONJSA-N 2 2 252.362 0.594 20 0 CCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C[NH+](C)C ZINC000447659202 389961912 /nfs/dbraw/zinc/96/19/12/389961912.db2.gz NJBQGFUHKPICMC-UHFFFAOYSA-N 2 2 257.378 0.117 20 0 CCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C[NH+](C)C ZINC000447659202 389961914 /nfs/dbraw/zinc/96/19/14/389961914.db2.gz NJBQGFUHKPICMC-UHFFFAOYSA-N 2 2 257.378 0.117 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000447659751 389962035 /nfs/dbraw/zinc/96/20/35/389962035.db2.gz PRDMNNOLTPPZDQ-UKRRQHHQSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000447659751 389962036 /nfs/dbraw/zinc/96/20/36/389962036.db2.gz PRDMNNOLTPPZDQ-UKRRQHHQSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@H](O)[C@H]1CCN(c2cc(N3CC[NH2+][C@H](C)C3)nc[nH+]2)C1 ZINC000420192152 389964444 /nfs/dbraw/zinc/96/44/44/389964444.db2.gz SFRGVOPCAODUDB-AGIUHOORSA-N 2 2 291.399 0.482 20 0 CCADLP CCNc1nc(NC(C)(C)C)nc(NC[C@H](C)C[NH2+]C)[nH+]1 ZINC000420209981 389966358 /nfs/dbraw/zinc/96/63/58/389966358.db2.gz RUBNIDAGYWMBBV-SNVBAGLBSA-N 2 2 295.435 0.625 20 0 CCADLP CCNc1nc(NC[C@H](C)C[NH2+]C)nc(NC(C)(C)C)[nH+]1 ZINC000420209981 389966359 /nfs/dbraw/zinc/96/63/59/389966359.db2.gz RUBNIDAGYWMBBV-SNVBAGLBSA-N 2 2 295.435 0.625 20 0 CCADLP CCNc1nc(NC[C@H](C)C[NH2+]C)[nH+]c(NC(C)(C)C)n1 ZINC000420209981 389966360 /nfs/dbraw/zinc/96/63/60/389966360.db2.gz RUBNIDAGYWMBBV-SNVBAGLBSA-N 2 2 295.435 0.625 20 0 CCADLP C[C@@H](O)CNc1cc(N[C@H](C)CCC[NH3+])nc[nH+]1 ZINC000420263288 389975555 /nfs/dbraw/zinc/97/55/55/389975555.db2.gz NRFFKVOSCWERRD-NXEZZACHSA-N 2 2 253.350 0.809 20 0 CCADLP C[C@@H](O)CNc1cc(N[C@H](C)CCC[NH3+])[nH+]cn1 ZINC000420263288 389975556 /nfs/dbraw/zinc/97/55/56/389975556.db2.gz NRFFKVOSCWERRD-NXEZZACHSA-N 2 2 253.350 0.809 20 0 CCADLP CC[C@H](C(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1)[NH+](C)C ZINC000433464916 389915095 /nfs/dbraw/zinc/91/50/95/389915095.db2.gz YMQNPXYLXAFTLQ-OLZOCXBDSA-N 2 2 293.415 0.955 20 0 CCADLP C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[NH+]1CCOCC1 ZINC000446367861 389934759 /nfs/dbraw/zinc/93/47/59/389934759.db2.gz AFQOFBOOCVJMRW-RWMBFGLXSA-N 2 2 267.373 0.060 20 0 CCADLP C[C@@H](O)CNc1cc(N2CCC3(CC[NH2+]C3)CC2)nc[nH+]1 ZINC000420256846 389974391 /nfs/dbraw/zinc/97/43/91/389974391.db2.gz HOBWBVFBHRZXSC-GFCCVEGCSA-N 2 2 291.399 0.849 20 0 CCADLP C[C@@H](O)CNc1cc(N2CCC3(CC[NH2+]C3)CC2)[nH+]cn1 ZINC000420256846 389974392 /nfs/dbraw/zinc/97/43/92/389974392.db2.gz HOBWBVFBHRZXSC-GFCCVEGCSA-N 2 2 291.399 0.849 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CC[C@H]2CCCCO2)C1 ZINC000420304073 389980734 /nfs/dbraw/zinc/98/07/34/389980734.db2.gz IMHOBQIKYNMXKZ-LSDHHAIUSA-N 2 2 295.427 0.842 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC000420304073 389980736 /nfs/dbraw/zinc/98/07/36/389980736.db2.gz IMHOBQIKYNMXKZ-LSDHHAIUSA-N 2 2 295.427 0.842 20 0 CCADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000420323770 389983248 /nfs/dbraw/zinc/98/32/48/389983248.db2.gz BLIBRVNTIWKUKV-WXRRBKDZSA-N 2 2 297.399 0.352 20 0 CCADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000420323770 389983250 /nfs/dbraw/zinc/98/32/50/389983250.db2.gz BLIBRVNTIWKUKV-WXRRBKDZSA-N 2 2 297.399 0.352 20 0 CCADLP C[C@H]1C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCO1 ZINC000420320003 389983403 /nfs/dbraw/zinc/98/34/03/389983403.db2.gz PYJLNDJEOUKKPL-QEJZJMRPSA-N 2 2 264.369 0.638 20 0 CCADLP C[C@H]1C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCO1 ZINC000420320003 389983405 /nfs/dbraw/zinc/98/34/05/389983405.db2.gz PYJLNDJEOUKKPL-QEJZJMRPSA-N 2 2 264.369 0.638 20 0 CCADLP c1c[nH+]c(CN2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)[nH]1 ZINC000420326159 389984084 /nfs/dbraw/zinc/98/40/84/389984084.db2.gz XEHULARIPJOECT-AWEZNQCLSA-N 3 2 277.416 0.917 20 0 CCADLP CCC[C@@H](NC(=O)C[N@H+](C)C[C@@H](O)C[NH3+])c1ccccc1 ZINC000420349022 389987838 /nfs/dbraw/zinc/98/78/38/389987838.db2.gz BMEZOBGDNXLBDK-LSDHHAIUSA-N 2 2 293.411 0.895 20 0 CCADLP CCC[C@@H](NC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])c1ccccc1 ZINC000420349022 389987840 /nfs/dbraw/zinc/98/78/40/389987840.db2.gz BMEZOBGDNXLBDK-LSDHHAIUSA-N 2 2 293.411 0.895 20 0 CCADLP C[N@H+](C[C@H](O)C[NH3+])[C@@H]1CCN(c2ccccc2)C1=O ZINC000420350329 389988202 /nfs/dbraw/zinc/98/82/02/389988202.db2.gz GOZHVELNJSDOAX-CHWSQXEVSA-N 2 2 263.341 0.043 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH3+])[C@@H]1CCN(c2ccccc2)C1=O ZINC000420350329 389988207 /nfs/dbraw/zinc/98/82/07/389988207.db2.gz GOZHVELNJSDOAX-CHWSQXEVSA-N 2 2 263.341 0.043 20 0 CCADLP C[C@@H](C(=O)NCc1ccccc1Cl)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420352768 389989487 /nfs/dbraw/zinc/98/94/87/389989487.db2.gz MSSAOSWZRZSXTC-CMPLNLGQSA-N 2 2 299.802 0.596 20 0 CCADLP C[C@@H](C(=O)NCc1ccccc1Cl)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420352768 389989488 /nfs/dbraw/zinc/98/94/88/389989488.db2.gz MSSAOSWZRZSXTC-CMPLNLGQSA-N 2 2 299.802 0.596 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000420355538 389990225 /nfs/dbraw/zinc/99/02/25/389990225.db2.gz BYZOYVNQYPDZDZ-VNHYZAJKSA-N 3 2 282.432 0.127 20 0 CCADLP Cc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H](O)C[NH3+])cc1F ZINC000420355003 389990278 /nfs/dbraw/zinc/99/02/78/389990278.db2.gz PFJXDFWVLGOGBR-JQWIXIFHSA-N 2 2 283.347 0.713 20 0 CCADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])cc1F ZINC000420355003 389990280 /nfs/dbraw/zinc/99/02/80/389990280.db2.gz PFJXDFWVLGOGBR-JQWIXIFHSA-N 2 2 283.347 0.713 20 0 CCADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)C[NH3+])cc1F ZINC000420355004 389990424 /nfs/dbraw/zinc/99/04/24/389990424.db2.gz PFJXDFWVLGOGBR-PWSUYJOCSA-N 2 2 283.347 0.713 20 0 CCADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])cc1F ZINC000420355004 389990426 /nfs/dbraw/zinc/99/04/26/389990426.db2.gz PFJXDFWVLGOGBR-PWSUYJOCSA-N 2 2 283.347 0.713 20 0 CCADLP CC(C)CN(CC(F)(F)F)C(=O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000420358411 389990597 /nfs/dbraw/zinc/99/05/97/389990597.db2.gz UGYJLTPORISNIE-SNVBAGLBSA-N 2 2 299.337 0.285 20 0 CCADLP CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420358411 389990598 /nfs/dbraw/zinc/99/05/98/389990598.db2.gz UGYJLTPORISNIE-SNVBAGLBSA-N 2 2 299.337 0.285 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420357584 389991080 /nfs/dbraw/zinc/99/10/80/389991080.db2.gz DNIJAAZVKGUNDE-GOEBONIOSA-N 2 2 297.443 0.993 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420357584 389991081 /nfs/dbraw/zinc/99/10/81/389991081.db2.gz DNIJAAZVKGUNDE-GOEBONIOSA-N 2 2 297.443 0.993 20 0 CCADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449213315 389992726 /nfs/dbraw/zinc/99/27/26/389992726.db2.gz VFSRKAKXAQPASA-WOPDTQHZSA-N 2 2 287.354 0.832 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H](NC[C@H]2CCC[NH+]2CCCO)C1 ZINC000449384217 389993325 /nfs/dbraw/zinc/99/33/25/389993325.db2.gz AINOLIQFZWWTOU-RRFJBIMHSA-N 2 2 269.433 0.763 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H](NC[C@H]2CCC[NH+]2CCCO)C1 ZINC000449384217 389993328 /nfs/dbraw/zinc/99/33/28/389993328.db2.gz AINOLIQFZWWTOU-RRFJBIMHSA-N 2 2 269.433 0.763 20 0 CCADLP CC[NH+]1C[C@H](C)[C@H](NC[C@H]2CCC[N@@H+]2CCCO)C1 ZINC000449384217 389993330 /nfs/dbraw/zinc/99/33/30/389993330.db2.gz AINOLIQFZWWTOU-RRFJBIMHSA-N 2 2 269.433 0.763 20 0 CCADLP CC[NH+]1C[C@H](C)[C@H](NC[C@H]2CCC[N@H+]2CCCO)C1 ZINC000449384217 389993333 /nfs/dbraw/zinc/99/33/33/389993333.db2.gz AINOLIQFZWWTOU-RRFJBIMHSA-N 2 2 269.433 0.763 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420370238 389993764 /nfs/dbraw/zinc/99/37/64/389993764.db2.gz OURUJYQLFCWWOI-NTZNESFSSA-N 2 2 284.404 0.444 20 0 CCADLP C[C@H]([NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)C(=O)NC(=O)NC1CC1 ZINC000420373572 389993856 /nfs/dbraw/zinc/99/38/56/389993856.db2.gz RIMBQIOCVIGHNF-QFOLPQNPSA-N 2 2 282.388 0.339 20 0 CCADLP CCN1C[C@H]([NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1=O ZINC000449515645 389994307 /nfs/dbraw/zinc/99/43/07/389994307.db2.gz ANBGHXFDKOZKBK-LOWVWBTDSA-N 2 2 251.374 0.680 20 0 CCADLP CCN1C[C@H]([NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1=O ZINC000449515645 389994311 /nfs/dbraw/zinc/99/43/11/389994311.db2.gz ANBGHXFDKOZKBK-LOWVWBTDSA-N 2 2 251.374 0.680 20 0 CCADLP C[C@H]([NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)C(=O)NC(=O)NC(C)(C)C ZINC000420380656 389994796 /nfs/dbraw/zinc/99/47/96/389994796.db2.gz YNDBBIRUJVIPOR-FIQHERPVSA-N 2 2 298.431 0.975 20 0 CCADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000420382015 389994814 /nfs/dbraw/zinc/99/48/14/389994814.db2.gz DEOCZZSQCJNSSS-ZBFHGGJFSA-N 3 2 293.411 0.787 20 0 CCADLP COc1ccc([C@H](C[NH3+])C[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000420382015 389994815 /nfs/dbraw/zinc/99/48/15/389994815.db2.gz DEOCZZSQCJNSSS-ZBFHGGJFSA-N 3 2 293.411 0.787 20 0 CCADLP O=C(C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1ccncc1 ZINC000420393900 389995974 /nfs/dbraw/zinc/99/59/74/389995974.db2.gz KEDHQHHUNADIIN-ZFWWWQNUSA-N 2 2 288.395 0.906 20 0 CCADLP O=C(C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1ccncc1 ZINC000420393900 389995976 /nfs/dbraw/zinc/99/59/76/389995976.db2.gz KEDHQHHUNADIIN-ZFWWWQNUSA-N 2 2 288.395 0.906 20 0 CCADLP CCC[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000450433191 389996593 /nfs/dbraw/zinc/99/65/93/389996593.db2.gz DGWOSWWTTLZWOX-KGLIPLIRSA-N 2 2 256.390 0.802 20 0 CCADLP CCC[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000450433191 389996594 /nfs/dbraw/zinc/99/65/94/389996594.db2.gz DGWOSWWTTLZWOX-KGLIPLIRSA-N 2 2 256.390 0.802 20 0 CCADLP COC(=O)CC1(C[N@@H+]2CCCO[C@H](C[NH3+])C2)CC1 ZINC000420396863 389996672 /nfs/dbraw/zinc/99/66/72/389996672.db2.gz WPBPEIAZMSHTIN-LLVKDONJSA-N 2 2 256.346 0.379 20 0 CCADLP COC(=O)CC1(C[N@H+]2CCCO[C@H](C[NH3+])C2)CC1 ZINC000420396863 389996674 /nfs/dbraw/zinc/99/66/74/389996674.db2.gz WPBPEIAZMSHTIN-LLVKDONJSA-N 2 2 256.346 0.379 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420401649 389997127 /nfs/dbraw/zinc/99/71/27/389997127.db2.gz PMMSOMPFGDMYGF-QWHCGFSZSA-N 2 2 296.415 0.686 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420401649 389997130 /nfs/dbraw/zinc/99/71/30/389997130.db2.gz PMMSOMPFGDMYGF-QWHCGFSZSA-N 2 2 296.415 0.686 20 0 CCADLP C[C@@H](CNC(=O)NCc1ccc[nH+]c1N(C)C)[NH+](C)C ZINC000454272576 390010072 /nfs/dbraw/zinc/01/00/72/390010072.db2.gz ZKOWYMWFQBLGRI-NSHDSACASA-N 2 2 279.388 0.897 20 0 CCADLP C[C@@H](O)CNc1cc(N(C)C[C@@H]2CCC[N@@H+]2C)nc[nH+]1 ZINC000420635297 390019108 /nfs/dbraw/zinc/01/91/08/390019108.db2.gz MBGGDIFHUWVPGN-NEPJUHHUSA-N 2 2 279.388 0.800 20 0 CCADLP C[C@@H](O)CNc1cc(N(C)C[C@@H]2CCC[N@H+]2C)nc[nH+]1 ZINC000420635297 390019112 /nfs/dbraw/zinc/01/91/12/390019112.db2.gz MBGGDIFHUWVPGN-NEPJUHHUSA-N 2 2 279.388 0.800 20 0 CCADLP C[C@H](O)CNc1cc(N(C)C[C@H]2CCC[N@@H+]2C)nc[nH+]1 ZINC000420635298 390019159 /nfs/dbraw/zinc/01/91/59/390019159.db2.gz MBGGDIFHUWVPGN-NWDGAFQWSA-N 2 2 279.388 0.800 20 0 CCADLP C[C@H](O)CNc1cc(N(C)C[C@H]2CCC[N@H+]2C)nc[nH+]1 ZINC000420635298 390019162 /nfs/dbraw/zinc/01/91/62/390019162.db2.gz MBGGDIFHUWVPGN-NWDGAFQWSA-N 2 2 279.388 0.800 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)NCCCC[NH+](C)C1CC1 ZINC000457173968 390033361 /nfs/dbraw/zinc/03/33/61/390033361.db2.gz WDHBMHNNPSELAV-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)NCCCC[NH+](C)C1CC1 ZINC000457173968 390033363 /nfs/dbraw/zinc/03/33/63/390033363.db2.gz WDHBMHNNPSELAV-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+]1CCOC[C@H]1C(=O)NCCCC[N@H+](C)C1CC1 ZINC000457173968 390033366 /nfs/dbraw/zinc/03/33/66/390033366.db2.gz WDHBMHNNPSELAV-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+]1CCOC[C@H]1C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000457173968 390033368 /nfs/dbraw/zinc/03/33/68/390033368.db2.gz WDHBMHNNPSELAV-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000488576152 390094863 /nfs/dbraw/zinc/09/48/63/390094863.db2.gz ITVVIJPYUKGPDV-BPLDGKMQSA-N 2 2 288.395 0.752 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000488576152 390094864 /nfs/dbraw/zinc/09/48/64/390094864.db2.gz ITVVIJPYUKGPDV-BPLDGKMQSA-N 2 2 288.395 0.752 20 0 CCADLP C[N@@H+]1CC[C@]2(CCN(C(=O)C=Cc3c[nH]c[nH+]3)C2)C1 ZINC000493148585 390119545 /nfs/dbraw/zinc/11/95/45/390119545.db2.gz JEZXDTHCSCOHJW-SFAKSCPVSA-N 2 2 260.341 0.977 20 0 CCADLP C[N@H+]1CC[C@]2(CCN(C(=O)C=Cc3c[nH]c[nH+]3)C2)C1 ZINC000493148585 390119546 /nfs/dbraw/zinc/11/95/46/390119546.db2.gz JEZXDTHCSCOHJW-SFAKSCPVSA-N 2 2 260.341 0.977 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000457725106 390048817 /nfs/dbraw/zinc/04/88/17/390048817.db2.gz QGBQTKGLLCAYEQ-HNNXBMFYSA-N 2 2 295.427 0.839 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000457725106 390048818 /nfs/dbraw/zinc/04/88/18/390048818.db2.gz QGBQTKGLLCAYEQ-HNNXBMFYSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@H](C(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C)[NH+]1CCN(C)CC1 ZINC000647830037 390184555 /nfs/dbraw/zinc/18/45/55/390184555.db2.gz JZDYSIUTFJXTRW-MGPQQGTHSA-N 2 2 282.432 0.173 20 0 CCADLP Cc1ccc(/C=C\C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cn1 ZINC000493395994 390124788 /nfs/dbraw/zinc/12/47/88/390124788.db2.gz DRZYJGNKCUEHLU-GEXIGZQTSA-N 2 2 274.368 0.505 20 0 CCADLP Cc1ccc(/C=C\C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cn1 ZINC000493395994 390124789 /nfs/dbraw/zinc/12/47/89/390124789.db2.gz DRZYJGNKCUEHLU-GEXIGZQTSA-N 2 2 274.368 0.505 20 0 CCADLP COCCN(CC[NH+](C)C)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493413627 390124970 /nfs/dbraw/zinc/12/49/70/390124970.db2.gz DWNYHYVWXAKSPB-SNAWJCMRSA-N 2 2 266.345 0.460 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC[NH2+]1 ZINC000579011690 390135366 /nfs/dbraw/zinc/13/53/66/390135366.db2.gz ZXKMNRVQOSRPPD-AVGNSLFASA-N 2 2 269.389 0.211 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC[NH2+]1 ZINC000579011690 390135370 /nfs/dbraw/zinc/13/53/70/390135370.db2.gz ZXKMNRVQOSRPPD-AVGNSLFASA-N 2 2 269.389 0.211 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000493967286 390137619 /nfs/dbraw/zinc/13/76/19/390137619.db2.gz FXXVEEFTAPHKJI-RYUDHWBXSA-N 2 2 279.388 0.048 20 0 CCADLP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](C)C[C@H]2C[NH3+])C1 ZINC000579211030 390151255 /nfs/dbraw/zinc/15/12/55/390151255.db2.gz FDEQWZSUNYUKCQ-ZIAGYGMSSA-N 3 2 297.447 0.003 20 0 CCADLP CCC[N@H+]1CC[C@H](CNC(=O)N2CC[NH+](C)C[C@H]2C[NH3+])C1 ZINC000579211030 390151259 /nfs/dbraw/zinc/15/12/59/390151259.db2.gz FDEQWZSUNYUKCQ-ZIAGYGMSSA-N 3 2 297.447 0.003 20 0 CCADLP CCC[NH+]1CC[C@H](CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000579211030 390151261 /nfs/dbraw/zinc/15/12/61/390151261.db2.gz FDEQWZSUNYUKCQ-ZIAGYGMSSA-N 3 2 297.447 0.003 20 0 CCADLP CCC[NH+]1CC[C@H](CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000579211030 390151264 /nfs/dbraw/zinc/15/12/64/390151264.db2.gz FDEQWZSUNYUKCQ-ZIAGYGMSSA-N 3 2 297.447 0.003 20 0 CCADLP C[N@H+](CCC[NH3+])CCOc1cccc(S(C)(=O)=O)c1 ZINC000647848063 390191520 /nfs/dbraw/zinc/19/15/20/390191520.db2.gz BHSBGSJJQNQEPT-UHFFFAOYSA-N 2 2 286.397 0.750 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)NCC(F)(F)F)C1 ZINC000536068708 390156775 /nfs/dbraw/zinc/15/67/75/390156775.db2.gz KKKWCTMWSICVQK-VIFPVBQESA-N 2 2 290.289 0.888 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)NCC(F)(F)F)C1 ZINC000536068708 390156778 /nfs/dbraw/zinc/15/67/78/390156778.db2.gz KKKWCTMWSICVQK-VIFPVBQESA-N 2 2 290.289 0.888 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536069281 390156885 /nfs/dbraw/zinc/15/68/85/390156885.db2.gz YYMXPYDUWXPFBV-OLZOCXBDSA-N 2 2 294.399 0.751 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536069281 390156887 /nfs/dbraw/zinc/15/68/87/390156887.db2.gz YYMXPYDUWXPFBV-OLZOCXBDSA-N 2 2 294.399 0.751 20 0 CCADLP C[N@@H+](CCC[NH3+])CCOc1cccc(S(C)(=O)=O)c1 ZINC000647848063 390191522 /nfs/dbraw/zinc/19/15/22/390191522.db2.gz BHSBGSJJQNQEPT-UHFFFAOYSA-N 2 2 286.397 0.750 20 0 CCADLP C[N@@H+]1CCN(C(=O)c2cccc3ccncc32)[C@H](C[NH3+])C1 ZINC000647874189 390202472 /nfs/dbraw/zinc/20/24/72/390202472.db2.gz FTJIUPADVXYYNB-CYBMUJFWSA-N 2 2 284.363 0.950 20 0 CCADLP C[N@H+]1CCN(C(=O)c2cccc3ccncc32)[C@H](C[NH3+])C1 ZINC000647874189 390202473 /nfs/dbraw/zinc/20/24/73/390202473.db2.gz FTJIUPADVXYYNB-CYBMUJFWSA-N 2 2 284.363 0.950 20 0 CCADLP C[C@H]1C[N@H+](CCCNC(=O)Cc2c[nH+]cn2C)CCCO1 ZINC000579748869 390206913 /nfs/dbraw/zinc/20/69/13/390206913.db2.gz RFGNSSYYGBREJB-ZDUSSCGKSA-N 2 2 294.399 0.580 20 0 CCADLP C[C@H]1C[N@@H+](CCCNC(=O)Cc2c[nH+]cn2C)CCCO1 ZINC000579748869 390206917 /nfs/dbraw/zinc/20/69/17/390206917.db2.gz RFGNSSYYGBREJB-ZDUSSCGKSA-N 2 2 294.399 0.580 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)C1CC1 ZINC000580074195 390217775 /nfs/dbraw/zinc/21/77/75/390217775.db2.gz IFHKYFNRDVBVTF-IACUBPJLSA-N 2 2 288.432 0.189 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)C1CC1 ZINC000580074195 390217776 /nfs/dbraw/zinc/21/77/76/390217776.db2.gz IFHKYFNRDVBVTF-IACUBPJLSA-N 2 2 288.432 0.189 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)CC1 ZINC000647938091 390222837 /nfs/dbraw/zinc/22/28/37/390222837.db2.gz JVJJAYJBFMPFKI-LSDHHAIUSA-N 3 2 294.443 0.319 20 0 CCADLP C[NH+]1CCN(C(=O)CC[NH+]2[C@@H]3CC[C@H]2CC[N@H+](C)C3)CC1 ZINC000647938091 390222845 /nfs/dbraw/zinc/22/28/45/390222845.db2.gz JVJJAYJBFMPFKI-LSDHHAIUSA-N 3 2 294.443 0.319 20 0 CCADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@H+](C)CCC[NH3+])c1 ZINC000647849013 390191695 /nfs/dbraw/zinc/19/16/95/390191695.db2.gz DPIWNXYHUTVRFU-NSHDSACASA-N 2 2 292.383 0.654 20 0 CCADLP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+](C)CCC[NH3+])c1 ZINC000647849013 390191696 /nfs/dbraw/zinc/19/16/96/390191696.db2.gz DPIWNXYHUTVRFU-NSHDSACASA-N 2 2 292.383 0.654 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)CC[NH2+]C1CC1 ZINC000579612112 390191825 /nfs/dbraw/zinc/19/18/25/390191825.db2.gz YRFBRRCAISMGPO-UHFFFAOYSA-N 2 2 250.346 0.874 20 0 CCADLP COc1ccc(OC)c(NC(=O)C[N@H+](C)CCC[NH3+])c1 ZINC000647850185 390192566 /nfs/dbraw/zinc/19/25/66/390192566.db2.gz XAURQGXCPTWSSY-UHFFFAOYSA-N 2 2 281.356 0.923 20 0 CCADLP COc1ccc(OC)c(NC(=O)C[N@@H+](C)CCC[NH3+])c1 ZINC000647850185 390192570 /nfs/dbraw/zinc/19/25/70/390192570.db2.gz XAURQGXCPTWSSY-UHFFFAOYSA-N 2 2 281.356 0.923 20 0 CCADLP C[NH+](C)C1(CNc2nc[nH+]c3c2OCCN3)CCCC1 ZINC000647855786 390194370 /nfs/dbraw/zinc/19/43/70/390194370.db2.gz ZTQGHWIZNXCZBT-UHFFFAOYSA-N 2 2 277.372 0.989 20 0 CCADLP CNC(=O)C[NH+]1CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000647856010 390194585 /nfs/dbraw/zinc/19/45/85/390194585.db2.gz JRKRBWWWGMXSSG-UHFFFAOYSA-N 2 2 273.340 0.431 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494702369 390194610 /nfs/dbraw/zinc/19/46/10/390194610.db2.gz IIEOUYYGEZQHGZ-STQMWFEESA-N 2 2 269.389 0.356 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494702369 390194613 /nfs/dbraw/zinc/19/46/13/390194613.db2.gz IIEOUYYGEZQHGZ-STQMWFEESA-N 2 2 269.389 0.356 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000647865311 390197499 /nfs/dbraw/zinc/19/74/99/390197499.db2.gz FUXFTHXJZGYNAC-DGCLKSJQSA-N 3 2 252.362 0.630 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000647865311 390197500 /nfs/dbraw/zinc/19/75/00/390197500.db2.gz FUXFTHXJZGYNAC-DGCLKSJQSA-N 3 2 252.362 0.630 20 0 CCADLP C[NH+](C)[C@H]1CCCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000647866120 390198215 /nfs/dbraw/zinc/19/82/15/390198215.db2.gz FDCIAOMQQJYKMQ-JTQLQIEISA-N 2 2 263.345 0.811 20 0 CCADLP Cc1cc(C[N@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)CC[NH3+])on1 ZINC000580309696 390236274 /nfs/dbraw/zinc/23/62/74/390236274.db2.gz DNYGFFYZFWOVFA-RYUDHWBXSA-N 2 2 298.362 0.703 20 0 CCADLP Cc1cc(C[N@@H+]2C[C@@H](F)C[C@H]2CN(C)C(=O)CC[NH3+])on1 ZINC000580309696 390236277 /nfs/dbraw/zinc/23/62/77/390236277.db2.gz DNYGFFYZFWOVFA-RYUDHWBXSA-N 2 2 298.362 0.703 20 0 CCADLP c1cc(CN2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)ccn1 ZINC000647988092 390240095 /nfs/dbraw/zinc/24/00/95/390240095.db2.gz NNXFXYBEMFBCSG-HNNXBMFYSA-N 2 2 260.385 0.809 20 0 CCADLP CC(C)C(=O)N1CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000647962335 390230012 /nfs/dbraw/zinc/23/00/12/390230012.db2.gz ZEYPWIXHHFIHQW-OAHLLOKOSA-N 2 2 299.459 0.878 20 0 CCADLP CC(C)C(=O)N1CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000647962335 390230015 /nfs/dbraw/zinc/23/00/15/390230015.db2.gz ZEYPWIXHHFIHQW-OAHLLOKOSA-N 2 2 299.459 0.878 20 0 CCADLP CC(C)C(=O)N1CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)CC1 ZINC000647962335 390230017 /nfs/dbraw/zinc/23/00/17/390230017.db2.gz ZEYPWIXHHFIHQW-OAHLLOKOSA-N 2 2 299.459 0.878 20 0 CCADLP CC(C)C(=O)N1CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)CC1 ZINC000647962335 390230021 /nfs/dbraw/zinc/23/00/21/390230021.db2.gz ZEYPWIXHHFIHQW-OAHLLOKOSA-N 2 2 299.459 0.878 20 0 CCADLP CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000580202991 390230169 /nfs/dbraw/zinc/23/01/69/390230169.db2.gz XVLZIPSDAGZPCK-OAHLLOKOSA-N 2 2 291.399 0.064 20 0 CCADLP CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000580202991 390230171 /nfs/dbraw/zinc/23/01/71/390230171.db2.gz XVLZIPSDAGZPCK-OAHLLOKOSA-N 2 2 291.399 0.064 20 0 CCADLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000644569513 390254944 /nfs/dbraw/zinc/25/49/44/390254944.db2.gz UDNBZTDKKNKOIA-JKSUJKDBSA-N 3 2 298.475 0.059 20 0 CCADLP CC[C@@H](CN1CCCC1)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000644569513 390254949 /nfs/dbraw/zinc/25/49/49/390254949.db2.gz UDNBZTDKKNKOIA-JKSUJKDBSA-N 2 2 298.475 0.059 20 0 CCADLP COCCOC[C@H](O)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000644589242 390261276 /nfs/dbraw/zinc/26/12/76/390261276.db2.gz KGYYDZMPGIVFOV-IACUBPJLSA-N 2 2 272.389 0.083 20 0 CCADLP COCCOC[C@H](O)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000644589242 390261280 /nfs/dbraw/zinc/26/12/80/390261280.db2.gz KGYYDZMPGIVFOV-IACUBPJLSA-N 2 2 272.389 0.083 20 0 CCADLP CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H](C)N2CC[NH+](C)CC2)C[C@H]1C ZINC000542650328 390265761 /nfs/dbraw/zinc/26/57/61/390265761.db2.gz NOZIODRRMRZRFV-QLFBSQMISA-N 2 2 296.459 0.563 20 0 CCADLP CC[N@H+]1C[C@H](C)N(C(=O)[C@@H](C)N2CC[NH+](C)CC2)C[C@H]1C ZINC000542650328 390265764 /nfs/dbraw/zinc/26/57/64/390265764.db2.gz NOZIODRRMRZRFV-QLFBSQMISA-N 2 2 296.459 0.563 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)COC1CCC([NH3+])CC1 ZINC000582178371 390266286 /nfs/dbraw/zinc/26/62/86/390266286.db2.gz XHFOJUIBIYWHAB-UHFFFAOYSA-N 2 2 299.415 0.064 20 0 CCADLP C[C@H]1CN(CC[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)CCO1 ZINC000582189297 390268272 /nfs/dbraw/zinc/26/82/72/390268272.db2.gz LTJKMXWJODWRIO-UONOGXRCSA-N 2 2 278.400 0.930 20 0 CCADLP C[C@H]1CN(CC[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)CCO1 ZINC000582189297 390268274 /nfs/dbraw/zinc/26/82/74/390268274.db2.gz LTJKMXWJODWRIO-UONOGXRCSA-N 2 2 278.400 0.930 20 0 CCADLP Cc1cc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)ncn1 ZINC000644675844 390283672 /nfs/dbraw/zinc/28/36/72/390283672.db2.gz BHQLLJQKSNMXJD-INIZCTEOSA-N 2 2 289.427 0.997 20 0 CCADLP O=C(NCc1ccccc1-n1cc[nH+]c1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648150688 390312749 /nfs/dbraw/zinc/31/27/49/390312749.db2.gz GJMWMGXWKUFKBI-NHAGDIPZSA-N 2 2 282.347 0.954 20 0 CCADLP Cn1cc[nH+]c1[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC000583889028 390321946 /nfs/dbraw/zinc/32/19/46/390321946.db2.gz OSQZNMIVYLRCDR-NWDGAFQWSA-N 2 2 262.357 0.939 20 0 CCADLP Cn1cc[nH+]c1[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC000583889028 390321950 /nfs/dbraw/zinc/32/19/50/390321950.db2.gz OSQZNMIVYLRCDR-NWDGAFQWSA-N 2 2 262.357 0.939 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc3[nH]cnc3c2)C1 ZINC000545855311 390331502 /nfs/dbraw/zinc/33/15/02/390331502.db2.gz COJAJJWKHKYGQU-CQSZACIVSA-N 2 2 260.341 0.719 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc3[nH]cnc3c2)C1 ZINC000545855311 390331510 /nfs/dbraw/zinc/33/15/10/390331510.db2.gz COJAJJWKHKYGQU-CQSZACIVSA-N 2 2 260.341 0.719 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc3nc[nH]c3c2)C1 ZINC000545855311 390331511 /nfs/dbraw/zinc/33/15/11/390331511.db2.gz COJAJJWKHKYGQU-CQSZACIVSA-N 2 2 260.341 0.719 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc3nc[nH]c3c2)C1 ZINC000545855311 390331513 /nfs/dbraw/zinc/33/15/13/390331513.db2.gz COJAJJWKHKYGQU-CQSZACIVSA-N 2 2 260.341 0.719 20 0 CCADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(c2ccccc2OC)CC1 ZINC000584356029 390339323 /nfs/dbraw/zinc/33/93/23/390339323.db2.gz WGNZEZQFNHOCDN-INIZCTEOSA-N 2 2 293.411 0.788 20 0 CCADLP CSCCCCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000584459159 390345228 /nfs/dbraw/zinc/34/52/28/390345228.db2.gz FHJWTMDQOFRDAP-LLVKDONJSA-N 2 2 274.434 0.414 20 0 CCADLP C[C@H](O)CC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000644927993 390347195 /nfs/dbraw/zinc/34/71/95/390347195.db2.gz XXVYYNHBXVJPPN-WCQYABFASA-N 2 2 269.389 0.171 20 0 CCADLP C[C@H](O)CC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000644927993 390347199 /nfs/dbraw/zinc/34/71/99/390347199.db2.gz XXVYYNHBXVJPPN-WCQYABFASA-N 2 2 269.389 0.171 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@H](CN2CCOC2=O)C1)C1CC1 ZINC000497070110 390412550 /nfs/dbraw/zinc/41/25/50/390412550.db2.gz HCRJDEXGKDNXPD-TZMCWYRMSA-N 2 2 297.399 0.216 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@H](CN2CCOC2=O)C1)C1CC1 ZINC000497070110 390412553 /nfs/dbraw/zinc/41/25/53/390412553.db2.gz HCRJDEXGKDNXPD-TZMCWYRMSA-N 2 2 297.399 0.216 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@H](CN2CCOC2=O)C1)C1CC1 ZINC000497070110 390412555 /nfs/dbraw/zinc/41/25/55/390412555.db2.gz HCRJDEXGKDNXPD-TZMCWYRMSA-N 2 2 297.399 0.216 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@H](CN2CCOC2=O)C1)C1CC1 ZINC000497070110 390412557 /nfs/dbraw/zinc/41/25/57/390412557.db2.gz HCRJDEXGKDNXPD-TZMCWYRMSA-N 2 2 297.399 0.216 20 0 CCADLP CCOC(=O)N1CC[C@H]([NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)C1 ZINC000496994194 390398921 /nfs/dbraw/zinc/39/89/21/390398921.db2.gz FUKXPONKKKRRED-AVGNSLFASA-N 2 2 285.388 0.574 20 0 CCADLP C[C@@H](N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCC[NH2+]1 ZINC000643452312 390447954 /nfs/dbraw/zinc/44/79/54/390447954.db2.gz FMIHMPGWWGHREN-IJEWVQPXSA-N 3 2 280.460 0.885 20 0 CCADLP C[C@@H](N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCC[NH2+]1 ZINC000643452312 390447956 /nfs/dbraw/zinc/44/79/56/390447956.db2.gz FMIHMPGWWGHREN-IJEWVQPXSA-N 3 2 280.460 0.885 20 0 CCADLP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CCC[NH2+]1 ZINC000643452312 390447958 /nfs/dbraw/zinc/44/79/58/390447958.db2.gz FMIHMPGWWGHREN-IJEWVQPXSA-N 3 2 280.460 0.885 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H](O)C3CCC3)C2)CC1 ZINC000648937819 390451093 /nfs/dbraw/zinc/45/10/93/390451093.db2.gz BDROXINGWMRSHY-UKRRQHHQSA-N 2 2 295.427 0.432 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H](O)C3CCC3)C2)CC1 ZINC000648937819 390451096 /nfs/dbraw/zinc/45/10/96/390451096.db2.gz BDROXINGWMRSHY-UKRRQHHQSA-N 2 2 295.427 0.432 20 0 CCADLP CCCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](C)C1 ZINC000648998092 390464136 /nfs/dbraw/zinc/46/41/36/390464136.db2.gz DKYCNCQRUHHRKF-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CCCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](C)C1 ZINC000648998092 390464140 /nfs/dbraw/zinc/46/41/40/390464140.db2.gz DKYCNCQRUHHRKF-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CCCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](C)C1 ZINC000648998092 390464143 /nfs/dbraw/zinc/46/41/43/390464143.db2.gz DKYCNCQRUHHRKF-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CCCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](C)C1 ZINC000648998092 390464147 /nfs/dbraw/zinc/46/41/47/390464147.db2.gz DKYCNCQRUHHRKF-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000515828752 390478113 /nfs/dbraw/zinc/47/81/13/390478113.db2.gz IGAWYJNRIGTKGQ-NEPJUHHUSA-N 2 2 291.461 0.825 20 0 CCADLP [NH3+]CCOCC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000645749928 390485964 /nfs/dbraw/zinc/48/59/64/390485964.db2.gz VSCHWEVCPMSFMW-UHFFFAOYSA-N 2 2 292.314 0.603 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000516959573 390487220 /nfs/dbraw/zinc/48/72/20/390487220.db2.gz XYZLPFAUNGLNHD-UONOGXRCSA-N 2 2 298.431 0.396 20 0 CCADLP [NH3+]Cc1ccc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)o1 ZINC000649321014 390578546 /nfs/dbraw/zinc/57/85/46/390578546.db2.gz IHIFDLXCHQSXGU-QWHCGFSZSA-N 2 2 293.367 0.410 20 0 CCADLP Nc1cc[nH+]cc1C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000649321384 390579966 /nfs/dbraw/zinc/57/99/66/390579966.db2.gz VXPIIYFMDZVCIB-KBPBESRZSA-N 2 2 290.367 0.165 20 0 CCADLP Cc1cc(CC[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)on1 ZINC000566128941 390582601 /nfs/dbraw/zinc/58/26/01/390582601.db2.gz QGPPXRKATINSCE-HZSPNIEDSA-N 2 2 297.399 0.585 20 0 CCADLP Cc1cc(CC[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)on1 ZINC000566128941 390582604 /nfs/dbraw/zinc/58/26/04/390582604.db2.gz QGPPXRKATINSCE-HZSPNIEDSA-N 2 2 297.399 0.585 20 0 CCADLP O=C(NCc1c[nH+]c[nH]1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000646046128 390584385 /nfs/dbraw/zinc/58/43/85/390584385.db2.gz UEFQAJHKSRIACE-HNNXBMFYSA-N 2 2 270.336 0.957 20 0 CCADLP O=C(NCc1c[nH]c[nH+]1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000646046128 390584391 /nfs/dbraw/zinc/58/43/91/390584391.db2.gz UEFQAJHKSRIACE-HNNXBMFYSA-N 2 2 270.336 0.957 20 0 CCADLP CN(CCC[NH3+])C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000519632182 390520607 /nfs/dbraw/zinc/52/06/07/390520607.db2.gz FKMPGVCMKFPDNZ-UHFFFAOYSA-N 2 2 272.393 0.087 20 0 CCADLP O=C(CCOC1C[NH2+]C1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000565654621 390532385 /nfs/dbraw/zinc/53/23/85/390532385.db2.gz RCEQWMYARODHNI-GFCCVEGCSA-N 2 2 278.356 0.842 20 0 CCADLP CC(C)[NH2+]CCC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000645944318 390542401 /nfs/dbraw/zinc/54/24/01/390542401.db2.gz GTIQNRYGDNHIEA-UHFFFAOYSA-N 2 2 293.415 0.452 20 0 CCADLP [NH3+][C@@H](C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1cscn1 ZINC000519820319 390547586 /nfs/dbraw/zinc/54/75/86/390547586.db2.gz GBGQUKPOSPUXIM-DGCLKSJQSA-N 2 2 280.397 0.745 20 0 CCADLP CCCCNC(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000565869601 390553898 /nfs/dbraw/zinc/55/38/98/390553898.db2.gz KDSNDACIBCDEBJ-UHFFFAOYSA-N 2 2 265.361 0.448 20 0 CCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645977559 390555770 /nfs/dbraw/zinc/55/57/70/390555770.db2.gz HJNXGGXPZRXMFJ-YDHLFZDLSA-N 3 2 294.443 0.269 20 0 CCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645977559 390555772 /nfs/dbraw/zinc/55/57/72/390555772.db2.gz HJNXGGXPZRXMFJ-YDHLFZDLSA-N 3 2 294.443 0.269 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645978157 390557624 /nfs/dbraw/zinc/55/76/24/390557624.db2.gz VRJWHAPFIFQWPR-ZIAGYGMSSA-N 3 2 296.459 0.659 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645978157 390557629 /nfs/dbraw/zinc/55/76/29/390557629.db2.gz VRJWHAPFIFQWPR-ZIAGYGMSSA-N 3 2 296.459 0.659 20 0 CCADLP COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000520248191 390562325 /nfs/dbraw/zinc/56/23/25/390562325.db2.gz SEDPZYVVHLQGRX-QWHCGFSZSA-N 2 2 281.356 0.351 20 0 CCADLP COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000520248191 390562328 /nfs/dbraw/zinc/56/23/28/390562328.db2.gz SEDPZYVVHLQGRX-QWHCGFSZSA-N 2 2 281.356 0.351 20 0 CCADLP O=C(NCC[NH+]1Cc2ccccc2C1)[C@H]1CSC[NH2+]1 ZINC000649306383 390566174 /nfs/dbraw/zinc/56/61/74/390566174.db2.gz OJBZNLZPOZVVJB-CYBMUJFWSA-N 2 2 277.393 0.781 20 0 CCADLP CC[C@H]([NH2+]Cc1c[nH+]c(C)n1C)C(=O)N1CCOCC1 ZINC000566021065 390569594 /nfs/dbraw/zinc/56/95/94/390569594.db2.gz MDVROBHMBSFYFP-ZDUSSCGKSA-N 2 2 280.372 0.456 20 0 CCADLP CC(C)N1C[C@H]([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1=O ZINC000520394083 390569638 /nfs/dbraw/zinc/56/96/38/390569638.db2.gz FOMBSDYXLIMQLO-NFAWXSAZSA-N 2 2 281.400 0.352 20 0 CCADLP COC[C@]1(C(N)=O)CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000643822852 390572097 /nfs/dbraw/zinc/57/20/97/390572097.db2.gz CYDLQJYSMKWLNF-ZDUSSCGKSA-N 2 2 266.345 0.240 20 0 CCADLP COC[C@]1(C(N)=O)CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000643822852 390572102 /nfs/dbraw/zinc/57/21/02/390572102.db2.gz CYDLQJYSMKWLNF-ZDUSSCGKSA-N 2 2 266.345 0.240 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000649320563 390577559 /nfs/dbraw/zinc/57/75/59/390577559.db2.gz LRWSPNHFVUTQDO-STQMWFEESA-N 2 2 269.389 0.356 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000649320563 390577561 /nfs/dbraw/zinc/57/75/61/390577561.db2.gz LRWSPNHFVUTQDO-STQMWFEESA-N 2 2 269.389 0.356 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000522228176 390629851 /nfs/dbraw/zinc/62/98/51/390629851.db2.gz CQMFHCBACOBDRV-RYUDHWBXSA-N 2 2 277.372 0.808 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000522228176 390629853 /nfs/dbraw/zinc/62/98/53/390629853.db2.gz CQMFHCBACOBDRV-RYUDHWBXSA-N 2 2 277.372 0.808 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)[C@@H](C[NH3+])C1 ZINC000566668176 390636887 /nfs/dbraw/zinc/63/68/87/390636887.db2.gz ZYAKMVSBJZBAPF-FQUUOJAGSA-N 2 2 296.415 0.228 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)[C@@H](C[NH3+])C1 ZINC000566668176 390636888 /nfs/dbraw/zinc/63/68/88/390636888.db2.gz ZYAKMVSBJZBAPF-FQUUOJAGSA-N 2 2 296.415 0.228 20 0 CCADLP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000649335833 390592673 /nfs/dbraw/zinc/59/26/73/390592673.db2.gz BTHOEGPQMIJUPS-PJXYFTJBSA-N 2 2 260.341 0.581 20 0 CCADLP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC(c2c[nH]c[nH+]2)CC1 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C[C@H]1NC(=O)N(CC[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1=O ZINC000566415111 390599356 /nfs/dbraw/zinc/59/93/56/390599356.db2.gz XDOJSRJWNSAUOJ-GHMZBOCLSA-N 2 2 291.355 0.150 20 0 CCADLP O[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2[NH2+]CCn2cccn2)C1 ZINC000643959899 390606831 /nfs/dbraw/zinc/60/68/31/390606831.db2.gz JIUOHRRBWQRBRG-MCIONIFRSA-N 2 2 264.373 0.460 20 0 CCADLP O[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2[NH2+]CCn2cccn2)C1 ZINC000643959899 390606835 /nfs/dbraw/zinc/60/68/35/390606835.db2.gz JIUOHRRBWQRBRG-MCIONIFRSA-N 2 2 264.373 0.460 20 0 CCADLP C[C@H](Cc1ccc(O)cc1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000646131024 390613178 /nfs/dbraw/zinc/61/31/78/390613178.db2.gz AAMMNSFTGLOFFG-CYBMUJFWSA-N 2 2 291.395 0.687 20 0 CCADLP CC[N@@H+]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000567651355 390708652 /nfs/dbraw/zinc/70/86/52/390708652.db2.gz SCUHJKXDOWQFTH-GFCCVEGCSA-N 2 2 250.346 0.731 20 0 CCADLP CC[N@H+]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000567651355 390708654 /nfs/dbraw/zinc/70/86/54/390708654.db2.gz SCUHJKXDOWQFTH-GFCCVEGCSA-N 2 2 250.346 0.731 20 0 CCADLP CNS(=O)(=O)CCC[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000571389137 390733181 /nfs/dbraw/zinc/73/31/81/390733181.db2.gz CRBCNTVMWVFFGP-STQMWFEESA-N 2 2 289.445 0.532 20 0 CCADLP CNS(=O)(=O)CCC[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000571389137 390733183 /nfs/dbraw/zinc/73/31/83/390733183.db2.gz CRBCNTVMWVFFGP-STQMWFEESA-N 2 2 289.445 0.532 20 0 CCADLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CCOCC1 ZINC000570865764 390722701 /nfs/dbraw/zinc/72/27/01/390722701.db2.gz HAUANZLWTZOBDD-OLZOCXBDSA-N 3 2 255.406 0.957 20 0 CCADLP Cc1cc(NC(=O)NCC[N@@H+]2CCCOCC2)c(C)c[nH+]1 ZINC000526093504 390677024 /nfs/dbraw/zinc/67/70/24/390677024.db2.gz PWUOMSODYCFEHD-UHFFFAOYSA-N 2 2 292.383 0.964 20 0 CCADLP Cc1cc(NC(=O)NCC[N@H+]2CCCOCC2)c(C)c[nH+]1 ZINC000526093504 390677030 /nfs/dbraw/zinc/67/70/30/390677030.db2.gz PWUOMSODYCFEHD-UHFFFAOYSA-N 2 2 292.383 0.964 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CC(F)(F)C[NH3+])C1 ZINC000567175401 390677686 /nfs/dbraw/zinc/67/76/86/390677686.db2.gz GVPNIBMZKOAOSO-LLVKDONJSA-N 2 2 293.358 0.444 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CC(F)(F)C[NH3+])C1 ZINC000567175401 390677689 /nfs/dbraw/zinc/67/76/89/390677689.db2.gz GVPNIBMZKOAOSO-LLVKDONJSA-N 2 2 293.358 0.444 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@H]([NH3+])CC(C)C)CC2)cc[nH+]1 ZINC000646482157 390688026 /nfs/dbraw/zinc/68/80/26/390688026.db2.gz YMKFMKPCDIGONX-CYBMUJFWSA-N 2 2 291.399 0.807 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@H]2CCC[NH+]2C2CC2)CCO1 ZINC000571354032 390732235 /nfs/dbraw/zinc/73/22/35/390732235.db2.gz GCLCGSCKXLENOE-GXTWGEPZSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]2CCC[NH+]2C2CC2)CCO1 ZINC000571354032 390732237 /nfs/dbraw/zinc/73/22/37/390732237.db2.gz GCLCGSCKXLENOE-GXTWGEPZSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)[C@H]2CCC[N@@H+]2C2CC2)CCO1 ZINC000571354032 390732239 /nfs/dbraw/zinc/73/22/39/390732239.db2.gz GCLCGSCKXLENOE-GXTWGEPZSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)[C@H]2CCC[N@H+]2C2CC2)CCO1 ZINC000571354032 390732241 /nfs/dbraw/zinc/73/22/41/390732241.db2.gz GCLCGSCKXLENOE-GXTWGEPZSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC000567386949 390696815 /nfs/dbraw/zinc/69/68/15/390696815.db2.gz SIJFCVVKGZVQNT-UPJWGTAASA-N 2 2 283.416 0.742 20 0 CCADLP CN(CCC[NH+](C)C)C(=O)CCc1c[nH+]cn1C ZINC000527251572 390698459 /nfs/dbraw/zinc/69/84/59/390698459.db2.gz RUPRVARPFIEJJR-UHFFFAOYSA-N 2 2 252.362 0.763 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2[C@@H]2CCCO2)n1C ZINC000567488122 390701331 /nfs/dbraw/zinc/70/13/31/390701331.db2.gz GYVQCTPBLMEFTH-VNHYZAJKSA-N 2 2 292.383 0.644 20 0 CCADLP C[C@@H](CC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000571804502 390754023 /nfs/dbraw/zinc/75/40/23/390754023.db2.gz SIPSISYFLXGDHB-KBPBESRZSA-N 2 2 297.443 0.849 20 0 CCADLP C[C@@H](CC(=O)NCC[N@H+]1CCO[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000571804502 390754025 /nfs/dbraw/zinc/75/40/25/390754025.db2.gz SIPSISYFLXGDHB-KBPBESRZSA-N 2 2 297.443 0.849 20 0 CCADLP OC[C@H]1CCCN1c1cc(NCC[C@H]2CCC[NH2+]2)[nH+]cn1 ZINC000572017633 390764604 /nfs/dbraw/zinc/76/46/04/390764604.db2.gz DUKDJQXCJWROJM-CHWSQXEVSA-N 2 2 291.399 0.992 20 0 CCADLP OC[C@H]1CCCN1c1cc(NCC[C@H]2CCC[NH2+]2)nc[nH+]1 ZINC000572017633 390764606 /nfs/dbraw/zinc/76/46/06/390764606.db2.gz DUKDJQXCJWROJM-CHWSQXEVSA-N 2 2 291.399 0.992 20 0 CCADLP C[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C[NH+]1CCOCC1 ZINC000572044946 390765256 /nfs/dbraw/zinc/76/52/56/390765256.db2.gz GCKKXVBJLSWANN-ZIAGYGMSSA-N 2 2 294.399 0.919 20 0 CCADLP C[N@@H+]1CCO[C@H]2CCN(C(=O)NCC[C@H]3CCC[NH2+]3)C[C@@H]21 ZINC000572104159 390767747 /nfs/dbraw/zinc/76/77/47/390767747.db2.gz JXMCPMPDJGJSRC-RDBSUJKOSA-N 2 2 296.415 0.243 20 0 CCADLP C[N@H+]1CCO[C@H]2CCN(C(=O)NCC[C@H]3CCC[NH2+]3)C[C@@H]21 ZINC000572104159 390767749 /nfs/dbraw/zinc/76/77/49/390767749.db2.gz JXMCPMPDJGJSRC-RDBSUJKOSA-N 2 2 296.415 0.243 20 0 CCADLP Cc1cc(NC(=O)N2CCN(C)C[C@@H]2C[NH3+])c(C)c[nH+]1 ZINC000572130746 390769292 /nfs/dbraw/zinc/76/92/92/390769292.db2.gz ZQJGZRMWLYMSEG-LBPRGKRZSA-N 2 2 277.372 0.227 20 0 CCADLP COC[C@H](O)C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528727483 390771546 /nfs/dbraw/zinc/77/15/46/390771546.db2.gz RNFDIHVVSUQQAJ-CYBMUJFWSA-N 2 2 272.389 0.180 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C[C@H]1CCOC1)C1CC1 ZINC000572199846 390772551 /nfs/dbraw/zinc/77/25/51/390772551.db2.gz YFVNKMKBJDEXKD-UKRRQHHQSA-N 2 2 286.416 0.426 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C[C@H]1CCOC1)C1CC1 ZINC000572199846 390772552 /nfs/dbraw/zinc/77/25/52/390772552.db2.gz YFVNKMKBJDEXKD-UKRRQHHQSA-N 2 2 286.416 0.426 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000572199846 390772553 /nfs/dbraw/zinc/77/25/53/390772553.db2.gz YFVNKMKBJDEXKD-UKRRQHHQSA-N 2 2 286.416 0.426 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000572199846 390772554 /nfs/dbraw/zinc/77/25/54/390772554.db2.gz YFVNKMKBJDEXKD-UKRRQHHQSA-N 2 2 286.416 0.426 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528781259 390777694 /nfs/dbraw/zinc/77/76/94/390777694.db2.gz BBKGCMNRZUBENL-SDFXEEBMSA-N 2 2 274.430 0.284 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528781259 390777695 /nfs/dbraw/zinc/77/76/95/390777695.db2.gz BBKGCMNRZUBENL-SDFXEEBMSA-N 2 2 274.430 0.284 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528781259 390777697 /nfs/dbraw/zinc/77/76/97/390777697.db2.gz BBKGCMNRZUBENL-SDFXEEBMSA-N 2 2 274.430 0.284 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528781259 390777698 /nfs/dbraw/zinc/77/76/98/390777698.db2.gz BBKGCMNRZUBENL-SDFXEEBMSA-N 2 2 274.430 0.284 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]Cc2ccc(O)cc2)C[C@H](C)O1 ZINC000572356881 390779449 /nfs/dbraw/zinc/77/94/49/390779449.db2.gz ZRTLNOLATGKSNF-DVOMOZLQSA-N 2 2 294.395 0.952 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]Cc2ccc(O)cc2)C[C@H](C)O1 ZINC000572356881 390779452 /nfs/dbraw/zinc/77/94/52/390779452.db2.gz ZRTLNOLATGKSNF-DVOMOZLQSA-N 2 2 294.395 0.952 20 0 CCADLP C([NH2+]C[C@H]1CCCO1)c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000647156803 390780711 /nfs/dbraw/zinc/78/07/11/390780711.db2.gz SDKWXZNOHPXEDV-ZJUUUORDSA-N 2 2 252.318 0.763 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000529070159 390790289 /nfs/dbraw/zinc/79/02/89/390790289.db2.gz QLYXZRTWVBPLNT-STQMWFEESA-N 2 2 280.372 0.105 20 0 CCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000529322613 390807567 /nfs/dbraw/zinc/80/75/67/390807567.db2.gz SOPUBKXMRQXZAC-OLZOCXBDSA-N 2 2 291.399 0.837 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000529206644 390798233 /nfs/dbraw/zinc/79/82/33/390798233.db2.gz DQQUSVJEZXXOJP-CYBMUJFWSA-N 2 2 280.372 0.371 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529300748 390802687 /nfs/dbraw/zinc/80/26/87/390802687.db2.gz FFPZMRHPKLCTKI-STQMWFEESA-N 2 2 296.415 0.291 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529300748 390802689 /nfs/dbraw/zinc/80/26/89/390802689.db2.gz FFPZMRHPKLCTKI-STQMWFEESA-N 2 2 296.415 0.291 20 0 CCADLP OC[C@H]1CC[C@H]([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000571669286 390747772 /nfs/dbraw/zinc/74/77/72/390747772.db2.gz DGYGNXDEUSBGLY-MXAVVETBSA-N 2 2 268.401 0.894 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)NC(=O)CCn1cc[nH+]c1 ZINC000647651960 390857552 /nfs/dbraw/zinc/85/75/52/390857552.db2.gz DZQZKPIODSUGAO-ZDUSSCGKSA-N 2 2 282.388 0.482 20 0 CCADLP [NH3+][C@H]1C[C@@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000578016348 390859856 /nfs/dbraw/zinc/85/98/56/390859856.db2.gz VRPKGUBPJCMBRG-TXEJJXNPSA-N 2 2 260.341 0.468 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000578141463 390866907 /nfs/dbraw/zinc/86/69/07/390866907.db2.gz LKAJOGSQOJWLLG-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000578141463 390866909 /nfs/dbraw/zinc/86/69/09/390866909.db2.gz LKAJOGSQOJWLLG-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@@H](CC(=O)NC1(CCO)CC[NH+](C)CC1)n1cc[nH+]c1 ZINC000578198102 390869672 /nfs/dbraw/zinc/86/96/72/390869672.db2.gz GWRPZZAFIOQQDN-ZDUSSCGKSA-N 2 2 294.399 0.797 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000578232660 390871996 /nfs/dbraw/zinc/87/19/96/390871996.db2.gz BMYRMLYNSVSCLA-GXTWGEPZSA-N 2 2 297.399 0.721 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000578246302 390873735 /nfs/dbraw/zinc/87/37/35/390873735.db2.gz NBJSAGQXBGLFOO-ZDUSSCGKSA-N 2 2 291.399 0.396 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000578246302 390873737 /nfs/dbraw/zinc/87/37/37/390873737.db2.gz NBJSAGQXBGLFOO-ZDUSSCGKSA-N 2 2 291.399 0.396 20 0 CCADLP C[C@H](O)[C@H](C)[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000578315981 390875923 /nfs/dbraw/zinc/87/59/23/390875923.db2.gz IQIJCSVLHBTDPN-KBPBESRZSA-N 2 2 293.415 0.348 20 0 CCADLP Cc1c[nH+]c(C)nc1N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000572899751 390810806 /nfs/dbraw/zinc/81/08/06/390810806.db2.gz JZQKQSVRMZPBBZ-LBPRGKRZSA-N 2 2 263.389 0.563 20 0 CCADLP COC[C@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000647526408 390833075 /nfs/dbraw/zinc/83/30/75/390833075.db2.gz VAITVEBMFTXIJE-LSDHHAIUSA-N 2 2 282.384 0.076 20 0 CCADLP COC[C@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000647526408 390833078 /nfs/dbraw/zinc/83/30/78/390833078.db2.gz VAITVEBMFTXIJE-LSDHHAIUSA-N 2 2 282.384 0.076 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000529488884 390837170 /nfs/dbraw/zinc/83/71/70/390837170.db2.gz QZPMCDOFSMMACK-UHFFFAOYSA-N 2 2 280.372 0.419 20 0 CCADLP C[N@@H+]1CCN(Cc2cnc3ccccn23)[C@H](C[NH3+])C1 ZINC000647539203 390837601 /nfs/dbraw/zinc/83/76/01/390837601.db2.gz FJMMULASZGNAMV-GFCCVEGCSA-N 2 2 259.357 0.409 20 0 CCADLP C[N@H+]1CCN(Cc2cnc3ccccn23)[C@H](C[NH3+])C1 ZINC000647539203 390837602 /nfs/dbraw/zinc/83/76/02/390837602.db2.gz FJMMULASZGNAMV-GFCCVEGCSA-N 2 2 259.357 0.409 20 0 CCADLP Cc1nc(N)c(CNC(=O)C[NH+]2CCC(C)CC2)c[nH+]1 ZINC000577780234 390845196 /nfs/dbraw/zinc/84/51/96/390845196.db2.gz OICWTUOQKOXIBY-UHFFFAOYSA-N 2 2 277.372 0.546 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H](CO)Cc1ccco1 ZINC000532648301 390883125 /nfs/dbraw/zinc/88/31/25/390883125.db2.gz HZXDLBQQSVTYQR-DYEKYZERSA-N 2 2 252.358 0.970 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H](CO)Cc1ccco1 ZINC000532648301 390883128 /nfs/dbraw/zinc/88/31/28/390883128.db2.gz HZXDLBQQSVTYQR-DYEKYZERSA-N 2 2 252.358 0.970 20 0 CCADLP C[C@@H]1CCN(c2nc3c(cnn3C)c(N)[nH+]2)C[C@H]1C[NH3+] ZINC000578851579 390904592 /nfs/dbraw/zinc/90/45/92/390904592.db2.gz QTEDSVQFPOPICQ-RKDXNWHRSA-N 2 2 275.360 0.367 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H](C)O)CC1 ZINC000361427388 533381263 /nfs/dbraw/zinc/38/12/63/533381263.db2.gz UEGKHMYBKUQOSX-LLVKDONJSA-N 2 2 258.362 0.374 20 0 CCADLP CO[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000451535613 533410625 /nfs/dbraw/zinc/41/06/25/533410625.db2.gz AXKOYZWAZQSBCF-CHWSQXEVSA-N 2 2 269.389 0.117 20 0 CCADLP CO[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000451535613 533410630 /nfs/dbraw/zinc/41/06/30/533410630.db2.gz AXKOYZWAZQSBCF-CHWSQXEVSA-N 2 2 269.389 0.117 20 0 CCADLP CC[N@@H+]1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)[C@@H](C)C1 ZINC000341782075 130042510 /nfs/dbraw/zinc/04/25/10/130042510.db2.gz XLEUUGKMWIHIDL-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP CC[N@H+]1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)[C@@H](C)C1 ZINC000341782075 130042513 /nfs/dbraw/zinc/04/25/13/130042513.db2.gz XLEUUGKMWIHIDL-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](C)C1 ZINC000341836053 130080553 /nfs/dbraw/zinc/08/05/53/130080553.db2.gz CRHDLRPVFCKWCA-KBPBESRZSA-N 2 2 283.416 0.648 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](C)C1 ZINC000341836053 130080556 /nfs/dbraw/zinc/08/05/56/130080556.db2.gz CRHDLRPVFCKWCA-KBPBESRZSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@@H](C)C1 ZINC000341836053 130080559 /nfs/dbraw/zinc/08/05/59/130080559.db2.gz CRHDLRPVFCKWCA-KBPBESRZSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@@H](C)C1 ZINC000341836053 130080561 /nfs/dbraw/zinc/08/05/61/130080561.db2.gz CRHDLRPVFCKWCA-KBPBESRZSA-N 2 2 283.416 0.648 20 0 CCADLP Cc1ccc2nc(C[NH2+]CC3([NH3+])CCC3)cc(=O)n2c1 ZINC000342131492 130291303 /nfs/dbraw/zinc/29/13/03/130291303.db2.gz HZUCGZYIYBEZPF-UHFFFAOYSA-N 2 2 272.352 0.974 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000269253335 132143619 /nfs/dbraw/zinc/14/36/19/132143619.db2.gz GTOMDZBVRBHWKT-GFCCVEGCSA-N 2 2 273.340 0.980 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1COC2(CCC2)C1 ZINC000657880345 413070786 /nfs/dbraw/zinc/07/07/86/413070786.db2.gz WOLXXHZTQDXVDX-CHWSQXEVSA-N 2 2 253.390 0.533 20 0 CCADLP CCCC[N@H+](C)C[C@H](C)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000575117459 335068283 /nfs/dbraw/zinc/06/82/83/335068283.db2.gz PBPDBRLILUHELD-LSDHHAIUSA-N 2 2 287.448 0.390 20 0 CCADLP CCCC[N@@H+](C)C[C@H](C)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000575117459 335068284 /nfs/dbraw/zinc/06/82/84/335068284.db2.gz PBPDBRLILUHELD-LSDHHAIUSA-N 2 2 287.448 0.390 20 0 CCADLP OC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CCC1 ZINC000658086373 413097000 /nfs/dbraw/zinc/09/70/00/413097000.db2.gz HXIALXZPNHJULQ-LSDHHAIUSA-N 2 2 268.401 0.990 20 0 CCADLP C[C@H]([NH3+])CC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000037818467 397387055 /nfs/dbraw/zinc/38/70/55/397387055.db2.gz RNWUBAIGZVQLOA-LBPRGKRZSA-N 2 2 262.357 0.463 20 0 CCADLP CC(C)NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918036 397391400 /nfs/dbraw/zinc/39/14/00/397391400.db2.gz LNGAFCSHJATWFF-STQMWFEESA-N 2 2 253.390 0.975 20 0 CCADLP CC(C)NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918036 397391405 /nfs/dbraw/zinc/39/14/05/397391405.db2.gz LNGAFCSHJATWFF-STQMWFEESA-N 2 2 253.390 0.975 20 0 CCADLP CNC(=O)[C@@H](CCSC)[NH2+]C1CC[NH+](C)CC1 ZINC000352488197 397464271 /nfs/dbraw/zinc/46/42/71/397464271.db2.gz NIMKCQKSULYOFW-LLVKDONJSA-N 2 2 259.419 0.538 20 0 CCADLP COCCCn1nccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357105207 144060853 /nfs/dbraw/zinc/06/08/53/144060853.db2.gz MZQGJYVMHXICDB-KBPBESRZSA-N 2 2 278.400 0.961 20 0 CCADLP COCCCn1nccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357105207 144060854 /nfs/dbraw/zinc/06/08/54/144060854.db2.gz MZQGJYVMHXICDB-KBPBESRZSA-N 2 2 278.400 0.961 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@H+](C)C2CC[NH+](CCO)CC2)C1 ZINC000357644234 144107723 /nfs/dbraw/zinc/10/77/23/144107723.db2.gz CCVOQYYRXZBCSA-CQSZACIVSA-N 2 2 297.443 0.633 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CC[NH+](CCO)CC2)C1 ZINC000357644234 144107725 /nfs/dbraw/zinc/10/77/25/144107725.db2.gz CCVOQYYRXZBCSA-CQSZACIVSA-N 2 2 297.443 0.633 20 0 CCADLP CCOCCOC[C@H](O)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000357858712 144127239 /nfs/dbraw/zinc/12/72/39/144127239.db2.gz WHDKDMREHUWEGI-BPLDGKMQSA-N 2 2 286.416 0.473 20 0 CCADLP CCOCCOC[C@H](O)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000357858712 144127241 /nfs/dbraw/zinc/12/72/41/144127241.db2.gz WHDKDMREHUWEGI-BPLDGKMQSA-N 2 2 286.416 0.473 20 0 CCADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000357922665 144133861 /nfs/dbraw/zinc/13/38/61/144133861.db2.gz NSDYGUQOTBUNMR-QWHCGFSZSA-N 2 2 290.367 0.021 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1cccc(C(N)=O)c1 ZINC000358098568 144151949 /nfs/dbraw/zinc/15/19/49/144151949.db2.gz POYFDVUPWCPIBW-FZMZJTMJSA-N 2 2 261.369 0.868 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1cccc(C(N)=O)c1 ZINC000358098568 144151950 /nfs/dbraw/zinc/15/19/50/144151950.db2.gz POYFDVUPWCPIBW-FZMZJTMJSA-N 2 2 261.369 0.868 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000358669835 144170551 /nfs/dbraw/zinc/17/05/51/144170551.db2.gz AUQKRCWQCOLOCQ-MGPQQGTHSA-N 2 2 283.416 0.506 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CC[NH2+][C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000358697885 144173789 /nfs/dbraw/zinc/17/37/89/144173789.db2.gz UKKREGRNIXDQNK-MCIONIFRSA-N 2 2 282.432 0.127 20 0 CCADLP C[C@H]1C[NH+](CCOC2CC[NH+](CC(N)=O)CC2)C[C@H](C)O1 ZINC000358870064 144184271 /nfs/dbraw/zinc/18/42/71/144184271.db2.gz GZIZGSQZEIUIRO-STQMWFEESA-N 2 2 299.415 0.062 20 0 CCADLP CNC(=O)C[C@@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000359101792 144194367 /nfs/dbraw/zinc/19/43/67/144194367.db2.gz RTVUHRNMMNOREK-LLVKDONJSA-N 2 2 264.373 0.876 20 0 CCADLP [NH3+]C[C@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CCO1 ZINC000368380432 144221638 /nfs/dbraw/zinc/22/16/38/144221638.db2.gz MQJNOXJRIRAIMI-AWEZNQCLSA-N 2 2 286.335 0.672 20 0 CCADLP C[C@@H]1OCC[C@@]12C[N@H+](CCn1cc[nH+]c1)CCO2 ZINC000369314778 144263964 /nfs/dbraw/zinc/26/39/64/144263964.db2.gz PGIVOQGQXKFRPW-QWHCGFSZSA-N 2 2 251.330 0.763 20 0 CCADLP C[C@@H]1OCC[C@@]12C[N@@H+](CCn1cc[nH+]c1)CCO2 ZINC000369314778 144263965 /nfs/dbraw/zinc/26/39/65/144263965.db2.gz PGIVOQGQXKFRPW-QWHCGFSZSA-N 2 2 251.330 0.763 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)NCc2c[nH+]c3n2CCCC3)C1 ZINC000370544468 144306414 /nfs/dbraw/zinc/30/64/14/144306414.db2.gz TWJZQUXBAPRHFY-GFCCVEGCSA-N 2 2 278.356 0.166 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)NCc2c[nH+]c3n2CCCC3)C1 ZINC000370544468 144306415 /nfs/dbraw/zinc/30/64/15/144306415.db2.gz TWJZQUXBAPRHFY-GFCCVEGCSA-N 2 2 278.356 0.166 20 0 CCADLP C[C@@H](CNC(=O)C1([NH+]2CCOCC2)CCC1)[N@H+](C)C1CC1 ZINC000371704078 144341720 /nfs/dbraw/zinc/34/17/20/144341720.db2.gz SCZQRWGSRFXHCZ-ZDUSSCGKSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@@H](CNC(=O)C1([NH+]2CCOCC2)CCC1)[N@@H+](C)C1CC1 ZINC000371704078 144341721 /nfs/dbraw/zinc/34/17/21/144341721.db2.gz SCZQRWGSRFXHCZ-ZDUSSCGKSA-N 2 2 295.427 0.840 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)N1CCC1 ZINC000372663087 144376415 /nfs/dbraw/zinc/37/64/15/144376415.db2.gz JCBFRMDYQYVFCB-ZDUSSCGKSA-N 2 2 251.374 0.636 20 0 CCADLP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)N1CCC1 ZINC000372663087 144376416 /nfs/dbraw/zinc/37/64/16/144376416.db2.gz JCBFRMDYQYVFCB-ZDUSSCGKSA-N 2 2 251.374 0.636 20 0 CCADLP CCNC(=O)C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373106321 144392794 /nfs/dbraw/zinc/39/27/94/144392794.db2.gz HSRLRHVMUFXBKI-NSHDSACASA-N 2 2 250.346 0.736 20 0 CCADLP CCNC(=O)C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373106321 144392795 /nfs/dbraw/zinc/39/27/95/144392795.db2.gz HSRLRHVMUFXBKI-NSHDSACASA-N 2 2 250.346 0.736 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CCC[C@@H](O)C2)CC1 ZINC000439504832 397539348 /nfs/dbraw/zinc/53/93/48/397539348.db2.gz MWYLLKOFENVSFH-DZGCQCFKSA-N 2 2 297.443 0.680 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC000649618690 397648337 /nfs/dbraw/zinc/64/83/37/397648337.db2.gz JUTPLLDUPNCWHD-QLFBSQMISA-N 2 2 268.401 0.990 20 0 CCADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC000649618690 397648339 /nfs/dbraw/zinc/64/83/39/397648339.db2.gz JUTPLLDUPNCWHD-QLFBSQMISA-N 2 2 268.401 0.990 20 0 CCADLP C[C@@H]1CC[C@H](C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)O1 ZINC000649685625 397655997 /nfs/dbraw/zinc/65/59/97/397655997.db2.gz HGICTYULBAYOKU-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@@H]1CC[C@H](C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)O1 ZINC000649685625 397656000 /nfs/dbraw/zinc/65/60/00/397656000.db2.gz HGICTYULBAYOKU-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP COc1ccc(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC000649685982 397656179 /nfs/dbraw/zinc/65/61/79/397656179.db2.gz ULENIHIDVNFTHR-UHFFFAOYSA-N 2 2 291.395 0.901 20 0 CCADLP COc1ccc(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc1 ZINC000649685982 397656181 /nfs/dbraw/zinc/65/61/81/397656181.db2.gz ULENIHIDVNFTHR-UHFFFAOYSA-N 2 2 291.395 0.901 20 0 CCADLP CC[C@@H]1C[N@H+](Cc2csc(CC(=O)NC)n2)CC[C@@H]1[NH3+] ZINC000649417166 397609298 /nfs/dbraw/zinc/60/92/98/397609298.db2.gz ZPLKREKLNBJDPC-PWSUYJOCSA-N 2 2 296.440 0.991 20 0 CCADLP CC[C@@H]1C[N@@H+](Cc2csc(CC(=O)NC)n2)CC[C@@H]1[NH3+] ZINC000649417166 397609299 /nfs/dbraw/zinc/60/92/99/397609299.db2.gz ZPLKREKLNBJDPC-PWSUYJOCSA-N 2 2 296.440 0.991 20 0 CCADLP C1CC1[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)[C@H]1C[NH2+]CCO1 ZINC000650743249 397751693 /nfs/dbraw/zinc/75/16/93/397751693.db2.gz PBBBDMVWLBQSBE-RKQHYHRCSA-N 2 2 252.358 0.663 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000547864308 285984752 /nfs/dbraw/zinc/98/47/52/285984752.db2.gz DQVWLHXNEQGHSM-LBPRGKRZSA-N 2 2 276.340 0.975 20 0 CCADLP O=C(NCCn1cc[nH+]c1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548000843 285995955 /nfs/dbraw/zinc/99/59/55/285995955.db2.gz ONJMQCSZMPEYML-LLVKDONJSA-N 2 2 274.328 0.394 20 0 CCADLP C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000548284362 286021913 /nfs/dbraw/zinc/02/19/13/286021913.db2.gz IYBFOCVVBDCORR-QWHCGFSZSA-N 2 2 291.399 0.839 20 0 CCADLP C[N@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000548284362 286021914 /nfs/dbraw/zinc/02/19/14/286021914.db2.gz IYBFOCVVBDCORR-QWHCGFSZSA-N 2 2 291.399 0.839 20 0 CCADLP CO[C@H]1CC[N@H+](CCC(=O)NC2CCCC2)[C@H](C[NH3+])C1 ZINC000359038689 286058760 /nfs/dbraw/zinc/05/87/60/286058760.db2.gz GGKCUKAMRNPTOW-KBPBESRZSA-N 2 2 283.416 0.873 20 0 CCADLP CO[C@H]1CC[N@@H+](CCC(=O)NC2CCCC2)[C@H](C[NH3+])C1 ZINC000359038689 286058761 /nfs/dbraw/zinc/05/87/61/286058761.db2.gz GGKCUKAMRNPTOW-KBPBESRZSA-N 2 2 283.416 0.873 20 0 CCADLP CC[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)c1[nH]cc[nH+]1 ZINC000548734006 286063752 /nfs/dbraw/zinc/06/37/52/286063752.db2.gz IDPASPMOHLMTIS-RYUDHWBXSA-N 2 2 277.372 0.367 20 0 CCADLP CC[C@H](NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)c1[nH]cc[nH+]1 ZINC000548734006 286063754 /nfs/dbraw/zinc/06/37/54/286063754.db2.gz IDPASPMOHLMTIS-RYUDHWBXSA-N 2 2 277.372 0.367 20 0 CCADLP COCC[NH+]1CCC(NC(=O)C(C)(C)c2c[nH]c[nH+]2)CC1 ZINC000548741708 286064164 /nfs/dbraw/zinc/06/41/64/286064164.db2.gz ORNGYIUHQJRSIR-UHFFFAOYSA-N 2 2 294.399 0.914 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC1CC[NH+](C)CC1 ZINC000548783069 286067889 /nfs/dbraw/zinc/06/78/89/286067889.db2.gz FOWWYCVJJHKPRB-UHFFFAOYSA-N 2 2 250.346 0.421 20 0 CCADLP C[NH+](C)C1(C[NH2+]C[C@H]2CNc3ccnn3C2)CCC1 ZINC000684194272 545627048 /nfs/dbraw/zinc/62/70/48/545627048.db2.gz DRRJMNHYWMSNPO-LBPRGKRZSA-N 2 2 263.389 0.999 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CCCC[NH+](C)C ZINC000552369964 286164330 /nfs/dbraw/zinc/16/43/30/286164330.db2.gz NAKGAARKIRGFLM-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)CCCC[NH+](C)C ZINC000552369964 286164332 /nfs/dbraw/zinc/16/43/32/286164332.db2.gz NAKGAARKIRGFLM-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)[NH+]1CC(C)C1 ZINC000553158440 286182604 /nfs/dbraw/zinc/18/26/04/286182604.db2.gz YCOYUGSPXRGLSL-MELADBBJSA-N 2 2 283.416 0.240 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1)[NH+]1CC(C)C1 ZINC000553158440 286182606 /nfs/dbraw/zinc/18/26/06/286182606.db2.gz YCOYUGSPXRGLSL-MELADBBJSA-N 2 2 283.416 0.240 20 0 CCADLP CC(C)OC[C@H]([NH3+])C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000659288255 413379590 /nfs/dbraw/zinc/37/95/90/413379590.db2.gz TVSCXXKRLVKTEJ-ZDUSSCGKSA-N 2 2 290.367 0.745 20 0 CCADLP CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423158570 286839552 /nfs/dbraw/zinc/83/95/52/286839552.db2.gz OEZYRKVIEDGUQC-SDDRHHMPSA-N 2 2 277.434 0.434 20 0 CCADLP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659358040 413441655 /nfs/dbraw/zinc/44/16/55/413441655.db2.gz OGPDFFRJKUGOTR-ZIAGYGMSSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H](NC(=O)[C@H]1CCCC[NH2+]1)[C@@H](C)[NH+]1CCOCC1 ZINC000167685329 286995197 /nfs/dbraw/zinc/99/51/97/286995197.db2.gz ZHUSPZFCTIVYGE-JHJVBQTASA-N 2 2 269.389 0.354 20 0 CCADLP C[C@H](CC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)n1cc[nH+]c1 ZINC000659386606 413466669 /nfs/dbraw/zinc/46/66/69/413466669.db2.gz CJZBNIPYYWUWLA-GMTAPVOTSA-N 2 2 254.309 0.732 20 0 CCADLP CC(C)[NH+]1CCC(O)(CNC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000284293521 196023835 /nfs/dbraw/zinc/02/38/35/196023835.db2.gz GFGITSONJIYHGN-ONEGZZNKSA-N 2 2 292.383 0.774 20 0 CCADLP CC[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1[NH3+] ZINC000122435370 411706292 /nfs/dbraw/zinc/70/62/92/411706292.db2.gz CWSSNGFOAJPONJ-NWDGAFQWSA-N 2 2 250.346 0.859 20 0 CCADLP Nc1nc(C[N@@H+]2CC[C@H](C[NH3+])C2)nc2ccccc12 ZINC000050247570 411676521 /nfs/dbraw/zinc/67/65/21/411676521.db2.gz YYFRWFCWPGHCGQ-SNVBAGLBSA-N 2 2 257.341 0.993 20 0 CCADLP Nc1nc(C[N@H+]2CC[C@H](C[NH3+])C2)nc2ccccc12 ZINC000050247570 411676524 /nfs/dbraw/zinc/67/65/24/411676524.db2.gz YYFRWFCWPGHCGQ-SNVBAGLBSA-N 2 2 257.341 0.993 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cnn(C)c1 ZINC000311152783 411749647 /nfs/dbraw/zinc/74/96/47/411749647.db2.gz NPRLFRBXWUBDSO-DGCLKSJQSA-N 2 2 254.378 0.772 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cnn(C)c1 ZINC000311152783 411749648 /nfs/dbraw/zinc/74/96/48/411749648.db2.gz NPRLFRBXWUBDSO-DGCLKSJQSA-N 2 2 254.378 0.772 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CCO)C1 ZINC000311503055 411749653 /nfs/dbraw/zinc/74/96/53/411749653.db2.gz XIJQRAQFWPORMV-KGLIPLIRSA-N 2 2 274.405 0.020 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CCO)C1 ZINC000311503055 411749655 /nfs/dbraw/zinc/74/96/55/411749655.db2.gz XIJQRAQFWPORMV-KGLIPLIRSA-N 2 2 274.405 0.020 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](CCO)C1 ZINC000311503055 411749658 /nfs/dbraw/zinc/74/96/58/411749658.db2.gz XIJQRAQFWPORMV-KGLIPLIRSA-N 2 2 274.405 0.020 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](CCO)C1 ZINC000311503055 411749659 /nfs/dbraw/zinc/74/96/59/411749659.db2.gz XIJQRAQFWPORMV-KGLIPLIRSA-N 2 2 274.405 0.020 20 0 CCADLP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)NCCC(C)C)C[C@H]1C[NH3+] ZINC000405412510 411801578 /nfs/dbraw/zinc/80/15/78/411801578.db2.gz AJMCAZQDTIACOS-MGPQQGTHSA-N 2 2 285.432 0.833 20 0 CCADLP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)NCCC(C)C)C[C@H]1C[NH3+] ZINC000405412510 411801582 /nfs/dbraw/zinc/80/15/82/411801582.db2.gz AJMCAZQDTIACOS-MGPQQGTHSA-N 2 2 285.432 0.833 20 0 CCADLP CCO[C@@H]1C[N@H+](CC(=O)N(C)c2ccccc2)C[C@H]1C[NH3+] ZINC000405424122 411802435 /nfs/dbraw/zinc/80/24/35/411802435.db2.gz FLJICZBJUZLTMC-UKRRQHHQSA-N 2 2 291.395 0.945 20 0 CCADLP CCO[C@@H]1C[N@@H+](CC(=O)N(C)c2ccccc2)C[C@H]1C[NH3+] ZINC000405424122 411802439 /nfs/dbraw/zinc/80/24/39/411802439.db2.gz FLJICZBJUZLTMC-UKRRQHHQSA-N 2 2 291.395 0.945 20 0 CCADLP O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000407245877 411803841 /nfs/dbraw/zinc/80/38/41/411803841.db2.gz ALANSFDMLQURCS-ZNMIVQPWSA-N 2 2 293.411 0.450 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCOCC2CC2)C[C@@H](C)O1 ZINC000521994739 411826067 /nfs/dbraw/zinc/82/60/67/411826067.db2.gz GACQDQSSWXDXIR-NFAWXSAZSA-N 2 2 286.416 0.473 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC[C@@]1(O)CCOC1 ZINC000651944266 411965507 /nfs/dbraw/zinc/96/55/07/411965507.db2.gz RALSXHGYSLZIFK-KWCYVHTRSA-N 2 2 254.374 0.600 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC[C@@]1(O)CCOC1 ZINC000651944266 411965511 /nfs/dbraw/zinc/96/55/11/411965511.db2.gz RALSXHGYSLZIFK-KWCYVHTRSA-N 2 2 254.374 0.600 20 0 CCADLP C[C@@H]([NH3+])[C@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000652335967 412030221 /nfs/dbraw/zinc/03/02/21/412030221.db2.gz VZJNQFHNZIXPCI-MLGOLLRUSA-N 3 2 275.396 0.880 20 0 CCADLP C[C@@H]([NH3+])[C@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000652335967 412030224 /nfs/dbraw/zinc/03/02/24/412030224.db2.gz VZJNQFHNZIXPCI-MLGOLLRUSA-N 3 2 275.396 0.880 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000652335968 412030309 /nfs/dbraw/zinc/03/03/09/412030309.db2.gz VZJNQFHNZIXPCI-WBMJQRKESA-N 3 2 275.396 0.880 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000652335968 412030312 /nfs/dbraw/zinc/03/03/12/412030312.db2.gz VZJNQFHNZIXPCI-WBMJQRKESA-N 3 2 275.396 0.880 20 0 CCADLP C[C@@H]1CCC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)[C@@H]1CC[NH3+] ZINC000652355394 412035508 /nfs/dbraw/zinc/03/55/08/412035508.db2.gz XCYJNDQHTLCYPO-DGCLKSJQSA-N 2 2 289.383 0.972 20 0 CCADLP C[C@@H]1CCC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)[C@@H]1CC[NH3+] ZINC000652355394 412035510 /nfs/dbraw/zinc/03/55/10/412035510.db2.gz XCYJNDQHTLCYPO-DGCLKSJQSA-N 2 2 289.383 0.972 20 0 CCADLP CNC(=O)Cc1noc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])n1 ZINC000652354944 412036646 /nfs/dbraw/zinc/03/66/46/412036646.db2.gz LBOUHYQPMPGLTF-QWRGUYRKSA-N 2 2 295.387 0.307 20 0 CCADLP CNC(=O)Cc1noc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])n1 ZINC000652354944 412036650 /nfs/dbraw/zinc/03/66/50/412036650.db2.gz LBOUHYQPMPGLTF-QWRGUYRKSA-N 2 2 295.387 0.307 20 0 CCADLP CC[NH+]1CCN(CCC(=O)NC(C)(C)c2[nH]cc[nH+]2)CC1 ZINC000652411483 412047799 /nfs/dbraw/zinc/04/77/99/412047799.db2.gz UVCAUKFFKNFTGH-UHFFFAOYSA-N 2 2 293.415 0.789 20 0 CCADLP [NH3+]CCC[NH+]1CCN(C(=O)Cc2ccccc2)CC1 ZINC000020181773 171045488 /nfs/dbraw/zinc/04/54/88/171045488.db2.gz RZTHLMICHVNNLL-UHFFFAOYSA-N 2 2 261.369 0.722 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC1([NH3+])CCCCC1 ZINC000653043575 412198236 /nfs/dbraw/zinc/19/82/36/412198236.db2.gz DFCQNGZABQJTNL-NSHDSACASA-N 3 2 256.394 0.043 20 0 CCADLP C[NH2+]C[C@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653054698 412202504 /nfs/dbraw/zinc/20/25/04/412202504.db2.gz KZSINGGUMDUVNY-CYBMUJFWSA-N 2 2 276.384 0.972 20 0 CCADLP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653054248 412202821 /nfs/dbraw/zinc/20/28/21/412202821.db2.gz HZDWECQHSGENFM-RISCZKNCSA-N 3 2 278.400 0.602 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCc1c(F)cccc1F ZINC000653069153 412209074 /nfs/dbraw/zinc/20/90/74/412209074.db2.gz DQODTKSTSPRFQT-ZDUSSCGKSA-N 2 2 285.338 0.903 20 0 CCADLP CC(C)n1cc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cn1 ZINC000653085201 412213068 /nfs/dbraw/zinc/21/30/68/412213068.db2.gz FWNHOVIWIBYNTM-LLVKDONJSA-N 2 2 253.350 0.682 20 0 CCADLP CC(C)c1cc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)on1 ZINC000653091465 412214181 /nfs/dbraw/zinc/21/41/81/412214181.db2.gz VYJNBKORYDKOFL-LLVKDONJSA-N 2 2 268.361 0.693 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000653298953 412284980 /nfs/dbraw/zinc/28/49/80/412284980.db2.gz UICWXPHTGCEBCF-ZIAGYGMSSA-N 2 2 285.432 0.977 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000653298953 412284982 /nfs/dbraw/zinc/28/49/82/412284982.db2.gz UICWXPHTGCEBCF-ZIAGYGMSSA-N 2 2 285.432 0.977 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@]1(C)CCCS1 ZINC000653098674 412217584 /nfs/dbraw/zinc/21/75/84/412217584.db2.gz UWTYBEBGHAKPJH-PWSUYJOCSA-N 2 2 259.419 0.667 20 0 CCADLP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653108181 412222080 /nfs/dbraw/zinc/22/20/80/412222080.db2.gz LVCPBYXOZCKWDY-STQMWFEESA-N 3 2 270.421 0.208 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000653110328 412222631 /nfs/dbraw/zinc/22/26/31/412222631.db2.gz CZDXJJPGRCELIK-AWEZNQCLSA-N 3 2 278.400 0.966 20 0 CCADLP C[C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)[N@@H+]1CCCC[C@H]1C ZINC000653109872 412222890 /nfs/dbraw/zinc/22/28/90/412222890.db2.gz PSDACFAHGBSXKD-MCIONIFRSA-N 3 2 284.448 0.645 20 0 CCADLP C[C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)[N@H+]1CCCC[C@H]1C ZINC000653109872 412222893 /nfs/dbraw/zinc/22/28/93/412222893.db2.gz PSDACFAHGBSXKD-MCIONIFRSA-N 3 2 284.448 0.645 20 0 CCADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653126822 412234583 /nfs/dbraw/zinc/23/45/83/412234583.db2.gz JJSDOBTYAQLIDR-NEPJUHHUSA-N 2 2 276.384 0.958 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000653138740 412238568 /nfs/dbraw/zinc/23/85/68/412238568.db2.gz ISZOZODOLQFSDM-HNNXBMFYSA-N 3 2 292.427 0.295 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000653149103 412242498 /nfs/dbraw/zinc/24/24/98/412242498.db2.gz WZLNMXZDNMQROC-STQMWFEESA-N 3 2 270.421 0.208 20 0 CCADLP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653150889 412243793 /nfs/dbraw/zinc/24/37/93/412243793.db2.gz RMRPTHYKJJEKSX-QWHCGFSZSA-N 3 2 272.437 0.502 20 0 CCADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653150889 412243795 /nfs/dbraw/zinc/24/37/95/412243795.db2.gz RMRPTHYKJJEKSX-QWHCGFSZSA-N 3 2 272.437 0.502 20 0 CCADLP COc1ccc(N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)c(OC)c1 ZINC000653151531 412243888 /nfs/dbraw/zinc/24/38/88/412243888.db2.gz JLMHUQUFRVNLFO-GFCCVEGCSA-N 2 2 295.383 0.946 20 0 CCADLP CC(C)C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)CCO1 ZINC000653154227 412245483 /nfs/dbraw/zinc/24/54/83/412245483.db2.gz LYQICQUAWOAQFC-MCIONIFRSA-N 2 2 285.432 0.975 20 0 CCADLP C[C@@H]1C[C@H](C)N(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C[C@@H]1C[NH3+] ZINC000653165604 412249567 /nfs/dbraw/zinc/24/95/67/412249567.db2.gz WWFPTZJEEANPPH-VOAKCMCISA-N 3 2 270.421 0.097 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCOC(C)(C)[C@H]1C ZINC000653569890 412319319 /nfs/dbraw/zinc/31/93/19/412319319.db2.gz QDGFGAUKDVDSFJ-CHWSQXEVSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCOC(C)(C)[C@H]1C ZINC000653569890 412319322 /nfs/dbraw/zinc/31/93/22/412319322.db2.gz QDGFGAUKDVDSFJ-CHWSQXEVSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000653569890 412319324 /nfs/dbraw/zinc/31/93/24/412319324.db2.gz QDGFGAUKDVDSFJ-CHWSQXEVSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000653569890 412319326 /nfs/dbraw/zinc/31/93/26/412319326.db2.gz QDGFGAUKDVDSFJ-CHWSQXEVSA-N 2 2 274.405 0.425 20 0 CCADLP CC[N@H+](CCCc1c[nH+]cn1C)[C@@H]1CCS(=O)(=O)C1 ZINC000653572709 412320474 /nfs/dbraw/zinc/32/04/74/412320474.db2.gz VYNVPHLHTYHKEO-CYBMUJFWSA-N 2 2 285.413 0.862 20 0 CCADLP CC[N@@H+](CCCc1c[nH+]cn1C)[C@@H]1CCS(=O)(=O)C1 ZINC000653572709 412320475 /nfs/dbraw/zinc/32/04/75/412320475.db2.gz VYNVPHLHTYHKEO-CYBMUJFWSA-N 2 2 285.413 0.862 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000653635332 412328249 /nfs/dbraw/zinc/32/82/49/412328249.db2.gz HSPNGJXYLJEDGL-ZQDZILKHSA-N 2 2 288.432 0.407 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000653635332 412328253 /nfs/dbraw/zinc/32/82/53/412328253.db2.gz HSPNGJXYLJEDGL-ZQDZILKHSA-N 2 2 288.432 0.407 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000653635332 412328257 /nfs/dbraw/zinc/32/82/57/412328257.db2.gz HSPNGJXYLJEDGL-ZQDZILKHSA-N 2 2 288.432 0.407 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000653635332 412328260 /nfs/dbraw/zinc/32/82/60/412328260.db2.gz HSPNGJXYLJEDGL-ZQDZILKHSA-N 2 2 288.432 0.407 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)Cc1cnccc1C ZINC000653654034 412330878 /nfs/dbraw/zinc/33/08/78/412330878.db2.gz WZHRGFNXWJKUKC-OAHLLOKOSA-N 2 2 281.400 0.761 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1cnccc1C ZINC000653654034 412330881 /nfs/dbraw/zinc/33/08/81/412330881.db2.gz WZHRGFNXWJKUKC-OAHLLOKOSA-N 2 2 281.400 0.761 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1cnccc1C ZINC000653654034 412330887 /nfs/dbraw/zinc/33/08/87/412330887.db2.gz WZHRGFNXWJKUKC-OAHLLOKOSA-N 2 2 281.400 0.761 20 0 CCADLP C[C@H](c1nccc(N)n1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000653777677 412345237 /nfs/dbraw/zinc/34/52/37/412345237.db2.gz SBHZAOLXNFYUNT-GFCCVEGCSA-N 2 2 291.399 0.916 20 0 CCADLP C[C@H](c1nccc(N)n1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000653777677 412345239 /nfs/dbraw/zinc/34/52/39/412345239.db2.gz SBHZAOLXNFYUNT-GFCCVEGCSA-N 2 2 291.399 0.916 20 0 CCADLP COc1cc[nH+]c(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000653827375 412352946 /nfs/dbraw/zinc/35/29/46/412352946.db2.gz XZNBBZAKTMFCGA-QWHCGFSZSA-N 2 2 263.341 0.341 20 0 CCADLP COc1cc[nH+]c(CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000653827375 412352949 /nfs/dbraw/zinc/35/29/49/412352949.db2.gz XZNBBZAKTMFCGA-QWHCGFSZSA-N 2 2 263.341 0.341 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000654392064 412391720 /nfs/dbraw/zinc/39/17/20/412391720.db2.gz JCYGAQKHQLEJNJ-HUUCEWRRSA-N 2 2 295.427 0.651 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000654392064 412391721 /nfs/dbraw/zinc/39/17/21/412391721.db2.gz JCYGAQKHQLEJNJ-HUUCEWRRSA-N 2 2 295.427 0.651 20 0 CCADLP CC[N@@H+]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC000655030675 412464562 /nfs/dbraw/zinc/46/45/62/412464562.db2.gz YJAUYTDWKXOHNE-NSHDSACASA-N 2 2 250.346 0.744 20 0 CCADLP CC[N@H+]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC000655030675 412464564 /nfs/dbraw/zinc/46/45/64/412464564.db2.gz YJAUYTDWKXOHNE-NSHDSACASA-N 2 2 250.346 0.744 20 0 CCADLP C[N@@H+]1C[C@H]2CCN(C(=O)C[NH+]3CC(C)(C)C3)[C@@H]2C1 ZINC000655104472 412477792 /nfs/dbraw/zinc/47/77/92/412477792.db2.gz HMYISKBTRJXXPY-VXGBXAGGSA-N 2 2 251.374 0.491 20 0 CCADLP C[N@H+]1C[C@H]2CCN(C(=O)C[NH+]3CC(C)(C)C3)[C@@H]2C1 ZINC000655104472 412477793 /nfs/dbraw/zinc/47/77/93/412477793.db2.gz HMYISKBTRJXXPY-VXGBXAGGSA-N 2 2 251.374 0.491 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000659448525 413506127 /nfs/dbraw/zinc/50/61/27/413506127.db2.gz WMUAUOKBCCFZPF-LLVKDONJSA-N 2 2 272.393 0.004 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000659448525 413506135 /nfs/dbraw/zinc/50/61/35/413506135.db2.gz WMUAUOKBCCFZPF-LLVKDONJSA-N 2 2 272.393 0.004 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000659471602 413528574 /nfs/dbraw/zinc/52/85/74/413528574.db2.gz BGMPIQVEKDTBQN-RYUDHWBXSA-N 2 2 277.372 0.567 20 0 CCADLP [NH3+]C1(CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC000659484040 413540828 /nfs/dbraw/zinc/54/08/28/413540828.db2.gz NGQAIHWPUKSGEL-LLVKDONJSA-N 2 2 277.372 0.769 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659494910 413549147 /nfs/dbraw/zinc/54/91/47/413549147.db2.gz FEZSYKPRYDNETF-UHFFFAOYSA-N 2 2 276.340 0.723 20 0 CCADLP CC(C)(CNC(=O)N1CC2CC1(C[NH3+])C2)[NH+]1CCOCC1 ZINC000659425400 413488910 /nfs/dbraw/zinc/48/89/10/413488910.db2.gz LTVPXBDRNFNTBP-UHFFFAOYSA-N 2 2 296.415 0.230 20 0 CCADLP C[C@H](NC(=O)N[C@H]1CC[NH2+]C[C@@H]1C)c1[nH+]ccn1C ZINC000659540407 413628834 /nfs/dbraw/zinc/62/88/34/413628834.db2.gz SOZWDBWICXSTMX-DCAQKATOSA-N 2 2 265.361 0.778 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000659555162 413647849 /nfs/dbraw/zinc/64/78/49/413647849.db2.gz OYIDZGDGHGBERZ-VHSXEESVSA-N 2 2 251.334 0.679 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000659555162 413647862 /nfs/dbraw/zinc/64/78/62/413647862.db2.gz OYIDZGDGHGBERZ-VHSXEESVSA-N 2 2 251.334 0.679 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCCC2CCC2)[C@@H](C[NH3+])C1 ZINC000659600102 413682922 /nfs/dbraw/zinc/68/29/22/413682922.db2.gz LERSRMZXMLWWPC-ZDUSSCGKSA-N 2 2 268.405 0.851 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCCC2CCC2)[C@@H](C[NH3+])C1 ZINC000659600102 413682931 /nfs/dbraw/zinc/68/29/31/413682931.db2.gz LERSRMZXMLWWPC-ZDUSSCGKSA-N 2 2 268.405 0.851 20 0 CCADLP CCO[C@@H]1CN(C(=O)N[C@H](C)c2[nH+]ccn2C)C[C@H]1C[NH3+] ZINC000659628067 413724613 /nfs/dbraw/zinc/72/46/13/413724613.db2.gz KTGFQPPIKWGDFK-IJLUTSLNSA-N 2 2 295.387 0.486 20 0 CCADLP C[C@H](NC(=O)N1CCC[C@@H]([NH3+])C1)c1[nH+]ccn1C ZINC000659627702 413725309 /nfs/dbraw/zinc/72/53/09/413725309.db2.gz IAISXIGLPLODLO-VHSXEESVSA-N 2 2 251.334 0.614 20 0 CCADLP Cc1cc(NC(=O)CC[N@@H+]2CCC[NH2+]CC2)no1 ZINC000036946307 172821547 /nfs/dbraw/zinc/82/15/47/172821547.db2.gz AHVVCAQXIQAJLC-UHFFFAOYSA-N 2 2 252.318 0.607 20 0 CCADLP Cc1cc(NC(=O)CC[N@H+]2CCC[NH2+]CC2)no1 ZINC000036946307 172821549 /nfs/dbraw/zinc/82/15/49/172821549.db2.gz AHVVCAQXIQAJLC-UHFFFAOYSA-N 2 2 252.318 0.607 20 0 CCADLP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[NH+](CC(N)=O)CC2)C1 ZINC000659824035 413893094 /nfs/dbraw/zinc/89/30/94/413893094.db2.gz MGNRSQPUJDEFDY-OKILXGFUSA-N 2 2 282.432 0.067 20 0 CCADLP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[NH+](CC(N)=O)CC2)C1 ZINC000659824035 413893102 /nfs/dbraw/zinc/89/31/02/413893102.db2.gz MGNRSQPUJDEFDY-OKILXGFUSA-N 2 2 282.432 0.067 20 0 CCADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)[C@H]1CCNC1=O ZINC000285583498 196334117 /nfs/dbraw/zinc/33/41/17/196334117.db2.gz ITOZGSHANWHRDE-ZDUSSCGKSA-N 2 2 265.357 0.922 20 0 CCADLP C[NH+](CCC[N@H+](C)Cc1ccco1)[C@H]1CCNC1=O ZINC000285583498 196334118 /nfs/dbraw/zinc/33/41/18/196334118.db2.gz ITOZGSHANWHRDE-ZDUSSCGKSA-N 2 2 265.357 0.922 20 0 CCADLP C[NH+](CCC[N@H+](C)[C@H]1CCNC1=O)Cc1ccco1 ZINC000285583498 196334119 /nfs/dbraw/zinc/33/41/19/196334119.db2.gz ITOZGSHANWHRDE-ZDUSSCGKSA-N 2 2 265.357 0.922 20 0 CCADLP C[NH+](CCC[N@@H+](C)[C@H]1CCNC1=O)Cc1ccco1 ZINC000285583498 196334121 /nfs/dbraw/zinc/33/41/21/196334121.db2.gz ITOZGSHANWHRDE-ZDUSSCGKSA-N 2 2 265.357 0.922 20 0 CCADLP C[NH+]1CCN(C[C@H]2C[N@@H+]([C@H]3COC(C)(C)C3)CCO2)CC1 ZINC000659899286 413958110 /nfs/dbraw/zinc/95/81/10/413958110.db2.gz GMGXEVFCZQQKHM-CABCVRRESA-N 2 2 297.443 0.502 20 0 CCADLP C[NH+]1CCN(C[C@H]2C[N@H+]([C@H]3COC(C)(C)C3)CCO2)CC1 ZINC000659899286 413958121 /nfs/dbraw/zinc/95/81/21/413958121.db2.gz GMGXEVFCZQQKHM-CABCVRRESA-N 2 2 297.443 0.502 20 0 CCADLP CCN1CC[C@@H]([N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000659955100 414001722 /nfs/dbraw/zinc/00/17/22/414001722.db2.gz IMDORXBECWKQIR-UONOGXRCSA-N 2 2 281.400 0.261 20 0 CCADLP CCN1CC[C@@H]([N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000659955100 414001729 /nfs/dbraw/zinc/00/17/29/414001729.db2.gz IMDORXBECWKQIR-UONOGXRCSA-N 2 2 281.400 0.261 20 0 CCADLP CCN1CC[C@@H]([N@@H+]2CC[C@H](C[NH+](C)CC)C2)C1=O ZINC000659989696 414027416 /nfs/dbraw/zinc/02/74/16/414027416.db2.gz RHKGPZXALZSNQP-CHWSQXEVSA-N 2 2 253.390 0.881 20 0 CCADLP CCN1CC[C@@H]([N@H+]2CC[C@H](C[NH+](C)CC)C2)C1=O ZINC000659989696 414027419 /nfs/dbraw/zinc/02/74/19/414027419.db2.gz RHKGPZXALZSNQP-CHWSQXEVSA-N 2 2 253.390 0.881 20 0 CCADLP CCN1CC[C@@H]([NH+]2CC[C@H](C[N@H+](C)CC)C2)C1=O ZINC000659989696 414027423 /nfs/dbraw/zinc/02/74/23/414027423.db2.gz RHKGPZXALZSNQP-CHWSQXEVSA-N 2 2 253.390 0.881 20 0 CCADLP CCN1CC[C@@H]([NH+]2CC[C@H](C[N@@H+](C)CC)C2)C1=O ZINC000659989696 414027428 /nfs/dbraw/zinc/02/74/28/414027428.db2.gz RHKGPZXALZSNQP-CHWSQXEVSA-N 2 2 253.390 0.881 20 0 CCADLP Cn1c[nH+]c(CN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000660120519 414129463 /nfs/dbraw/zinc/12/94/63/414129463.db2.gz LHDSYIKUVHEXOW-AWEZNQCLSA-N 2 2 291.399 0.334 20 0 CCADLP C[C@H]1C[N@H+](CCc2cn[nH]n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000660152947 414158445 /nfs/dbraw/zinc/15/84/45/414158445.db2.gz DFXGAACOAOIGSA-ZFWWWQNUSA-N 2 2 292.431 0.305 20 0 CCADLP C[C@H]1C[N@@H+](CCc2cn[nH]n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000660152947 414158453 /nfs/dbraw/zinc/15/84/53/414158453.db2.gz DFXGAACOAOIGSA-ZFWWWQNUSA-N 2 2 292.431 0.305 20 0 CCADLP C[C@H]1C[N@H+](CCc2c[nH]nn2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000660152947 414158459 /nfs/dbraw/zinc/15/84/59/414158459.db2.gz DFXGAACOAOIGSA-ZFWWWQNUSA-N 2 2 292.431 0.305 20 0 CCADLP C[C@H]1C[N@@H+](CCc2c[nH]nn2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000660152947 414158467 /nfs/dbraw/zinc/15/84/67/414158467.db2.gz DFXGAACOAOIGSA-ZFWWWQNUSA-N 2 2 292.431 0.305 20 0 CCADLP CCN1CC[C@@H]([NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC000660074153 414087942 /nfs/dbraw/zinc/08/79/42/414087942.db2.gz KTAVXZBHOVBMLM-HUUCEWRRSA-N 2 2 294.443 0.319 20 0 CCADLP CCN1CC[C@@H]([NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC000660074153 414087955 /nfs/dbraw/zinc/08/79/55/414087955.db2.gz KTAVXZBHOVBMLM-HUUCEWRRSA-N 2 2 294.443 0.319 20 0 CCADLP COCC1=CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)CC1 ZINC000660319099 414240473 /nfs/dbraw/zinc/24/04/73/414240473.db2.gz QMALJIDJRIXSLK-CQSZACIVSA-N 2 2 256.390 0.966 20 0 CCADLP COCC1=CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)CC1 ZINC000660319099 414240481 /nfs/dbraw/zinc/24/04/81/414240481.db2.gz QMALJIDJRIXSLK-CQSZACIVSA-N 2 2 256.390 0.966 20 0 CCADLP COCC1=CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000660319099 414240487 /nfs/dbraw/zinc/24/04/87/414240487.db2.gz QMALJIDJRIXSLK-CQSZACIVSA-N 2 2 256.390 0.966 20 0 CCADLP COCC1=CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000660319099 414240493 /nfs/dbraw/zinc/24/04/93/414240493.db2.gz QMALJIDJRIXSLK-CQSZACIVSA-N 2 2 256.390 0.966 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](CCO)[C@H]1CCO[C@H]1C ZINC000660455490 414335107 /nfs/dbraw/zinc/33/51/07/414335107.db2.gz BUSPDIBJMJRFFD-IHRRRGAJSA-N 2 2 274.405 0.159 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](CCO)[C@H]1CCO[C@H]1C ZINC000660455490 414335111 /nfs/dbraw/zinc/33/51/11/414335111.db2.gz BUSPDIBJMJRFFD-IHRRRGAJSA-N 2 2 274.405 0.159 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](CCO)[C@H]1CCO[C@H]1C ZINC000660455490 414335116 /nfs/dbraw/zinc/33/51/16/414335116.db2.gz BUSPDIBJMJRFFD-IHRRRGAJSA-N 2 2 274.405 0.159 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](CCO)[C@H]1CCO[C@H]1C ZINC000660455490 414335121 /nfs/dbraw/zinc/33/51/21/414335121.db2.gz BUSPDIBJMJRFFD-IHRRRGAJSA-N 2 2 274.405 0.159 20 0 CCADLP CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)[C@@H]1CC(=O)N(C)C1=O ZINC000660485221 414354875 /nfs/dbraw/zinc/35/48/75/414354875.db2.gz DLMGMFUOFDRODI-CHWSQXEVSA-N 2 2 299.415 0.157 20 0 CCADLP CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@@H]1CC(=O)N(C)C1=O ZINC000660485221 414354880 /nfs/dbraw/zinc/35/48/80/414354880.db2.gz DLMGMFUOFDRODI-CHWSQXEVSA-N 2 2 299.415 0.157 20 0 CCADLP CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)[C@@H]1CC(=O)N(C)C1=O ZINC000660485221 414354885 /nfs/dbraw/zinc/35/48/85/414354885.db2.gz DLMGMFUOFDRODI-CHWSQXEVSA-N 2 2 299.415 0.157 20 0 CCADLP CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)[C@@H]1CC(=O)N(C)C1=O ZINC000660485221 414354890 /nfs/dbraw/zinc/35/48/90/414354890.db2.gz DLMGMFUOFDRODI-CHWSQXEVSA-N 2 2 299.415 0.157 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000660527880 414378885 /nfs/dbraw/zinc/37/88/85/414378885.db2.gz HXAALOKXKYLRIK-DCAQKATOSA-N 2 2 286.338 0.836 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000660527880 414378890 /nfs/dbraw/zinc/37/88/90/414378890.db2.gz HXAALOKXKYLRIK-DCAQKATOSA-N 2 2 286.338 0.836 20 0 CCADLP CC(C)C[NH2+]C1(CO)CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000660694443 414445389 /nfs/dbraw/zinc/44/53/89/414445389.db2.gz BZHCVVBHMSJUIC-UHFFFAOYSA-N 2 2 266.389 0.982 20 0 CCADLP CC[C@H](C(N)=O)[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660696070 414446399 /nfs/dbraw/zinc/44/63/99/414446399.db2.gz XYNLJJKLMDQVRQ-GFCCVEGCSA-N 2 2 271.405 0.323 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660740708 414470895 /nfs/dbraw/zinc/47/08/95/414470895.db2.gz UORPGMHKWYXYQK-UHFFFAOYSA-N 2 2 283.376 0.519 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660740708 414470898 /nfs/dbraw/zinc/47/08/98/414470898.db2.gz UORPGMHKWYXYQK-UHFFFAOYSA-N 2 2 283.376 0.519 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660740708 414470901 /nfs/dbraw/zinc/47/09/01/414470901.db2.gz UORPGMHKWYXYQK-UHFFFAOYSA-N 2 2 283.376 0.519 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660740708 414470904 /nfs/dbraw/zinc/47/09/04/414470904.db2.gz UORPGMHKWYXYQK-UHFFFAOYSA-N 2 2 283.376 0.519 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)CN1CCn2c[nH+]cc2C1 ZINC000660583160 414400412 /nfs/dbraw/zinc/40/04/12/414400412.db2.gz HDVYYWOQBSAEIS-CYBMUJFWSA-N 2 2 252.362 0.400 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)CN1CCn2c[nH+]cc2C1 ZINC000660583160 414400418 /nfs/dbraw/zinc/40/04/18/414400418.db2.gz HDVYYWOQBSAEIS-CYBMUJFWSA-N 2 2 252.362 0.400 20 0 CCADLP C[NH+]1CCC(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000660822497 414490408 /nfs/dbraw/zinc/49/04/08/414490408.db2.gz QQSSUHULLLMZAG-CQSZACIVSA-N 2 2 296.415 0.197 20 0 CCADLP Cc1cc(N(C)CC(=O)N2CC[NH2+]CC2)nc(C(C)C)[nH+]1 ZINC000038031644 174026254 /nfs/dbraw/zinc/02/62/54/174026254.db2.gz BEBXOIGOMKOZAZ-UHFFFAOYSA-N 2 2 291.399 0.776 20 0 CCADLP c1c[nH+]c([C@@H]2CCCN(C[C@H]3C[NH2+]CCO3)C2)[nH]1 ZINC000662259971 414701467 /nfs/dbraw/zinc/70/14/67/414701467.db2.gz FMWXZEGTKZRURS-VXGBXAGGSA-N 2 2 250.346 0.578 20 0 CCADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1coc(S(N)(=O)=O)c1 ZINC000662263390 414702881 /nfs/dbraw/zinc/70/28/81/414702881.db2.gz AMIIYTBMKUJOMU-DTWKUNHWSA-N 2 2 273.358 0.096 20 0 CCADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1coc(S(N)(=O)=O)c1 ZINC000662263390 414702882 /nfs/dbraw/zinc/70/28/82/414702882.db2.gz AMIIYTBMKUJOMU-DTWKUNHWSA-N 2 2 273.358 0.096 20 0 CCADLP Cc1nnsc1C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000662266679 414703404 /nfs/dbraw/zinc/70/34/04/414703404.db2.gz KXSYSWQGZNHTJY-NSHDSACASA-N 2 2 295.412 0.243 20 0 CCADLP Cc1nnsc1C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000662266679 414703405 /nfs/dbraw/zinc/70/34/05/414703405.db2.gz KXSYSWQGZNHTJY-NSHDSACASA-N 2 2 295.412 0.243 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000662274469 414704200 /nfs/dbraw/zinc/70/42/00/414704200.db2.gz ULMAHAKDCVFFCF-IHRRRGAJSA-N 3 2 253.390 0.296 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000662274469 414704201 /nfs/dbraw/zinc/70/42/01/414704201.db2.gz ULMAHAKDCVFFCF-IHRRRGAJSA-N 3 2 253.390 0.296 20 0 CCADLP Cc1nnsc1C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000662273694 414704209 /nfs/dbraw/zinc/70/42/09/414704209.db2.gz YLPJEUALXFOOKM-LLVKDONJSA-N 2 2 297.428 0.666 20 0 CCADLP Cc1nnsc1C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000662273694 414704210 /nfs/dbraw/zinc/70/42/10/414704210.db2.gz YLPJEUALXFOOKM-LLVKDONJSA-N 2 2 297.428 0.666 20 0 CCADLP C[C@@H]1CC[N@H+](Cc2coc(S(N)(=O)=O)c2)C[C@H]1C[NH3+] ZINC000662281106 414705455 /nfs/dbraw/zinc/70/54/55/414705455.db2.gz IKQVFENWRLOUAG-MWLCHTKSSA-N 2 2 287.385 0.344 20 0 CCADLP C[C@@H]1CC[N@@H+](Cc2coc(S(N)(=O)=O)c2)C[C@H]1C[NH3+] ZINC000662281106 414705456 /nfs/dbraw/zinc/70/54/56/414705456.db2.gz IKQVFENWRLOUAG-MWLCHTKSSA-N 2 2 287.385 0.344 20 0 CCADLP [NH3+]CCC1CC[NH+](Cc2nnn(CC(F)(F)F)n2)CC1 ZINC000662283286 414705812 /nfs/dbraw/zinc/70/58/12/414705812.db2.gz HBWWVWKPGCLONF-UHFFFAOYSA-N 2 2 292.309 0.796 20 0 CCADLP O=C1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)Cc2ccccc2N1 ZINC000662284110 414706217 /nfs/dbraw/zinc/70/62/17/414706217.db2.gz LLUMNNGKQHNGJN-ZDUSSCGKSA-N 2 2 287.363 0.962 20 0 CCADLP CCN1CC[C@@H]([N@@H+]2CC3CCC2(C[NH3+])CC3)C1=O ZINC000662284964 414706288 /nfs/dbraw/zinc/70/62/88/414706288.db2.gz SGICCPAQIFKWTI-MBHSVXNSSA-N 2 2 251.374 0.811 20 0 CCADLP CCN1CC[C@@H]([N@H+]2CC3CCC2(C[NH3+])CC3)C1=O ZINC000662284964 414706289 /nfs/dbraw/zinc/70/62/89/414706289.db2.gz SGICCPAQIFKWTI-MBHSVXNSSA-N 2 2 251.374 0.811 20 0 CCADLP NS(=O)(=O)c1cc(C[NH+]2CCC(CC[NH3+])CC2)co1 ZINC000662285090 414706359 /nfs/dbraw/zinc/70/63/59/414706359.db2.gz WHWFWTUBWGUBBH-UHFFFAOYSA-N 2 2 287.385 0.488 20 0 CCADLP CCO[C@@H]1C[N@H+](Cc2cc(C)ncn2)C[C@H]1C[NH3+] ZINC000662284176 414706366 /nfs/dbraw/zinc/70/63/66/414706366.db2.gz FOXACOVQICIZDW-DGCLKSJQSA-N 2 2 250.346 0.581 20 0 CCADLP CCO[C@@H]1C[N@@H+](Cc2cc(C)ncn2)C[C@H]1C[NH3+] ZINC000662284176 414706367 /nfs/dbraw/zinc/70/63/67/414706367.db2.gz FOXACOVQICIZDW-DGCLKSJQSA-N 2 2 250.346 0.581 20 0 CCADLP OCCC[N@@H+](Cc1ccccc1)C[C@H]1C[NH2+]CCO1 ZINC000662286925 414706854 /nfs/dbraw/zinc/70/68/54/414706854.db2.gz UBTFUHSNOLMLOW-OAHLLOKOSA-N 2 2 264.369 0.859 20 0 CCADLP OCCC[N@H+](Cc1ccccc1)C[C@H]1C[NH2+]CCO1 ZINC000662286925 414706855 /nfs/dbraw/zinc/70/68/55/414706855.db2.gz UBTFUHSNOLMLOW-OAHLLOKOSA-N 2 2 264.369 0.859 20 0 CCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)N1CCc2ccccc21 ZINC000662286711 414706858 /nfs/dbraw/zinc/70/68/58/414706858.db2.gz YVRZSFXFFRQJQP-UHFFFAOYSA-N 2 2 289.379 0.280 20 0 CCADLP Cc1ccc(CC[N@H+](CC[NH3+])C[C@H](O)CO)cc1 ZINC000662289903 414707174 /nfs/dbraw/zinc/70/71/74/414707174.db2.gz YTUOIHVCEXLDBD-AWEZNQCLSA-N 2 2 252.358 0.151 20 0 CCADLP Cc1ccc(CC[N@@H+](CC[NH3+])C[C@H](O)CO)cc1 ZINC000662289903 414707175 /nfs/dbraw/zinc/70/71/75/414707175.db2.gz YTUOIHVCEXLDBD-AWEZNQCLSA-N 2 2 252.358 0.151 20 0 CCADLP CCN(CC)C(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662317071 414709437 /nfs/dbraw/zinc/70/94/37/414709437.db2.gz MMZQOIQXDXQWNZ-CQSZACIVSA-N 2 2 285.432 0.897 20 0 CCADLP CCN(CC)C(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662317071 414709438 /nfs/dbraw/zinc/70/94/38/414709438.db2.gz MMZQOIQXDXQWNZ-CQSZACIVSA-N 2 2 285.432 0.897 20 0 CCADLP CC[C@@H](C(N)=O)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321793 414709736 /nfs/dbraw/zinc/70/97/36/414709736.db2.gz JHCOEWMWFWIBHZ-RYUDHWBXSA-N 2 2 257.378 0.293 20 0 CCADLP CC[C@@H](C(N)=O)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321793 414709737 /nfs/dbraw/zinc/70/97/37/414709737.db2.gz JHCOEWMWFWIBHZ-RYUDHWBXSA-N 2 2 257.378 0.293 20 0 CCADLP CCN1CC[C@H]([N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)C1=O ZINC000662326654 414710124 /nfs/dbraw/zinc/71/01/24/414710124.db2.gz YECQVRQUHLXTFO-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CCN1CC[C@H]([N@H+]2CCO[C@H](CCC[NH+](C)C)C2)C1=O ZINC000662326654 414710125 /nfs/dbraw/zinc/71/01/25/414710125.db2.gz YECQVRQUHLXTFO-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP Cn1c[nH+]c(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000662151494 414693822 /nfs/dbraw/zinc/69/38/22/414693822.db2.gz IOKUMMZWMIJSMM-CQSZACIVSA-N 2 2 264.373 0.451 20 0 CCADLP Cn1c[nH+]c(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000662151494 414693823 /nfs/dbraw/zinc/69/38/23/414693823.db2.gz IOKUMMZWMIJSMM-CQSZACIVSA-N 2 2 264.373 0.451 20 0 CCADLP O[C@H](C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)CC(F)(F)F ZINC000662151207 414693881 /nfs/dbraw/zinc/69/38/81/414693881.db2.gz GDYJCJHJHAEDOP-RYUDHWBXSA-N 2 2 296.333 0.831 20 0 CCADLP O[C@H](C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)CC(F)(F)F ZINC000662151207 414693882 /nfs/dbraw/zinc/69/38/82/414693882.db2.gz GDYJCJHJHAEDOP-RYUDHWBXSA-N 2 2 296.333 0.831 20 0 CCADLP Cc1cc(C[N@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)no1 ZINC000662251692 414699741 /nfs/dbraw/zinc/69/97/41/414699741.db2.gz IECLMACNTWBJMR-GFCCVEGCSA-N 2 2 251.330 0.936 20 0 CCADLP Cc1cc(C[N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)no1 ZINC000662251692 414699742 /nfs/dbraw/zinc/69/97/42/414699742.db2.gz IECLMACNTWBJMR-GFCCVEGCSA-N 2 2 251.330 0.936 20 0 CCADLP CCCNC(=O)[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662256509 414700856 /nfs/dbraw/zinc/70/08/56/414700856.db2.gz IOYNFSZMMMVUSQ-STQMWFEESA-N 2 2 269.389 0.213 20 0 CCADLP CCCNC(=O)[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662256509 414700857 /nfs/dbraw/zinc/70/08/57/414700857.db2.gz IOYNFSZMMMVUSQ-STQMWFEESA-N 2 2 269.389 0.213 20 0 CCADLP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000662738957 414750691 /nfs/dbraw/zinc/75/06/91/414750691.db2.gz KIDAEDQYLVWELV-RYUDHWBXSA-N 2 2 274.324 0.314 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662742575 414751744 /nfs/dbraw/zinc/75/17/44/414751744.db2.gz DWURQFJSBOSVIV-NWDGAFQWSA-N 2 2 280.372 0.519 20 0 CCADLP CC(C)OC[C@H]([NH3+])C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000662381894 414712787 /nfs/dbraw/zinc/71/27/87/414712787.db2.gz JFXMYMLJAMEMAN-MNOVXSKESA-N 2 2 254.334 0.140 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000662506295 414724211 /nfs/dbraw/zinc/72/42/11/414724211.db2.gz IBYRGVOYDVATCA-NWDGAFQWSA-N 2 2 262.357 0.775 20 0 CCADLP O=C(c1cc2c(s1)CC[NH2+]C2)N1CC[NH+](CCO)CC1 ZINC000662517247 414724727 /nfs/dbraw/zinc/72/47/27/414724727.db2.gz SHEPMTYYSIWWHG-UHFFFAOYSA-N 2 2 295.408 0.144 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2[NH2+]CC2(C)C)[C@H](C)CO1 ZINC000662629614 414734553 /nfs/dbraw/zinc/73/45/53/414734553.db2.gz ANCRTCQEEFZYMO-UTUOFQBUSA-N 2 2 269.389 0.210 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2[NH2+]CC2(C)C)[C@H](C)CO1 ZINC000662629614 414734554 /nfs/dbraw/zinc/73/45/54/414734554.db2.gz ANCRTCQEEFZYMO-UTUOFQBUSA-N 2 2 269.389 0.210 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000662632236 414735033 /nfs/dbraw/zinc/73/50/33/414735033.db2.gz ZCSPHMDXFCVJAI-TUAOUCFPSA-N 2 2 257.378 0.067 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000662632236 414735034 /nfs/dbraw/zinc/73/50/34/414735034.db2.gz ZCSPHMDXFCVJAI-TUAOUCFPSA-N 2 2 257.378 0.067 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000662632815 414735407 /nfs/dbraw/zinc/73/54/07/414735407.db2.gz UEOBURHXGCKMEX-GJZGRUSLSA-N 3 2 296.459 0.517 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000662632815 414735408 /nfs/dbraw/zinc/73/54/08/414735408.db2.gz UEOBURHXGCKMEX-GJZGRUSLSA-N 3 2 296.459 0.517 20 0 CCADLP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662653954 414737320 /nfs/dbraw/zinc/73/73/20/414737320.db2.gz AOOHVNRLZBGQCR-UONOGXRCSA-N 2 2 297.443 0.944 20 0 CCADLP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000662658640 414737966 /nfs/dbraw/zinc/73/79/66/414737966.db2.gz GDQXQIJNTMPLIE-STQMWFEESA-N 2 2 290.367 0.094 20 0 CCADLP [NH3+]CC12CC(C1)CN2C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000662683821 414740592 /nfs/dbraw/zinc/74/05/92/414740592.db2.gz QUGHCQNCQULQIO-UHFFFAOYSA-N 2 2 287.354 0.913 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662683854 414740771 /nfs/dbraw/zinc/74/07/71/414740771.db2.gz VWLZJOGDYJYVDS-NWDGAFQWSA-N 2 2 269.389 0.211 20 0 CCADLP CC(C)C[C@H](C[NH3+])CC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000662701371 414743149 /nfs/dbraw/zinc/74/31/49/414743149.db2.gz OXVKFRJSQLUORF-KGLIPLIRSA-N 2 2 285.432 0.834 20 0 CCADLP CC(C)C[C@H](C[NH3+])CC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000662701371 414743150 /nfs/dbraw/zinc/74/31/50/414743150.db2.gz OXVKFRJSQLUORF-KGLIPLIRSA-N 2 2 285.432 0.834 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H]1[NH2+]CCC1(C)C)[NH+]1CCOCC1 ZINC000662720464 414746376 /nfs/dbraw/zinc/74/63/76/414746376.db2.gz DUFAKOSPYPWYDG-XQQFMLRXSA-N 2 2 283.416 0.600 20 0 CCADLP CC[C@@]1(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CCC[NH2+]1 ZINC000662870551 414855917 /nfs/dbraw/zinc/85/59/17/414855917.db2.gz HPXWLTLYYCSOBW-HIFRSBDPSA-N 2 2 281.400 0.452 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000662965273 414920449 /nfs/dbraw/zinc/92/04/49/414920449.db2.gz IXLAFCHYMAAUAF-ZDUSSCGKSA-N 2 2 291.395 0.857 20 0 CCADLP COc1cc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)ccn1 ZINC000662899731 414879150 /nfs/dbraw/zinc/87/91/50/414879150.db2.gz IUBLOJXKUANGJY-JTQLQIEISA-N 2 2 252.318 0.308 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000662900038 414880151 /nfs/dbraw/zinc/88/01/51/414880151.db2.gz KXOBZHWBXUYCTG-ZJUUUORDSA-N 2 2 252.318 0.069 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899923 414880346 /nfs/dbraw/zinc/88/03/46/414880346.db2.gz HVXBVHFCWXXRNG-LSDHHAIUSA-N 3 2 296.459 0.611 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899923 414880348 /nfs/dbraw/zinc/88/03/48/414880348.db2.gz HVXBVHFCWXXRNG-LSDHHAIUSA-N 3 2 296.459 0.611 20 0 CCADLP C[C@]1(NC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC[NH2+]C1 ZINC000663607949 415094093 /nfs/dbraw/zinc/09/40/93/415094093.db2.gz BIBXFSPDYVVDJY-AWEZNQCLSA-N 2 2 287.323 0.141 20 0 CCADLP CC(C)(C(N)=O)[NH+]1CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000663700316 415113668 /nfs/dbraw/zinc/11/36/68/415113668.db2.gz OTGSYYLJKZARIZ-UHFFFAOYSA-N 2 2 287.367 0.949 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1CC1(C)C ZINC000663773713 415128930 /nfs/dbraw/zinc/12/89/30/415128930.db2.gz PELMXUONQGWRCO-LBPRGKRZSA-N 2 2 270.421 0.968 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1CC1(C)C ZINC000663773713 415128935 /nfs/dbraw/zinc/12/89/35/415128935.db2.gz PELMXUONQGWRCO-LBPRGKRZSA-N 2 2 270.421 0.968 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)N3CCOC4(C[NH2+]C4)C3)ccn12 ZINC000664727670 415459064 /nfs/dbraw/zinc/45/90/64/415459064.db2.gz NPSHQLNNFMAYQX-UHFFFAOYSA-N 2 2 286.335 0.457 20 0 CCADLP FC1(F)C[C@@H]1OCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000665244324 415575573 /nfs/dbraw/zinc/57/55/73/415575573.db2.gz KWJMXOXOPHMJEF-SRVKXCTJSA-N 2 2 276.327 0.767 20 0 CCADLP C[C@H]([NH2+][C@@H]1Cc2ccccc2N(C)C1=O)C1C[NH2+]C1 ZINC000665236905 415572815 /nfs/dbraw/zinc/57/28/15/415572815.db2.gz WDQJCUZVZNCDHN-GXFFZTMASA-N 2 2 259.353 0.772 20 0 CCADLP CCC[NH+]1CCC([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000665289328 415587932 /nfs/dbraw/zinc/58/79/32/415587932.db2.gz LLJRLUOZWUATQO-UHFFFAOYSA-N 3 2 279.388 0.605 20 0 CCADLP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccc(S(N)(=O)=O)c1 ZINC000665278871 415588665 /nfs/dbraw/zinc/58/86/65/415588665.db2.gz QEISSBHZWMPLSV-IFQILLTASA-N 2 2 295.408 0.737 20 0 CCADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000665295774 415590957 /nfs/dbraw/zinc/59/09/57/415590957.db2.gz ITUWLTNNNQDQDE-WDEREUQCSA-N 2 2 260.345 0.921 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000353466479 287319661 /nfs/dbraw/zinc/31/96/61/287319661.db2.gz HDZZIBCIEQBIJP-MQYQWHSLSA-N 2 2 283.416 0.600 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCS[C@H](C)C2)CC1 ZINC000171700248 335075121 /nfs/dbraw/zinc/07/51/21/335075121.db2.gz WDWWBALADAGTIP-CHWSQXEVSA-N 2 2 285.457 0.976 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCS[C@H](C)C2)CC1 ZINC000171700248 335075122 /nfs/dbraw/zinc/07/51/22/335075122.db2.gz WDWWBALADAGTIP-CHWSQXEVSA-N 2 2 285.457 0.976 20 0 CCADLP CCn1c[nH+]cc1CN1CC[N@H+](C)C[C@@H](C(=O)OC)C1 ZINC000418092981 228029028 /nfs/dbraw/zinc/02/90/28/228029028.db2.gz RZKYGSJVJASRHA-GFCCVEGCSA-N 2 2 280.372 0.440 20 0 CCADLP CCn1c[nH+]cc1CN1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000418092981 228029031 /nfs/dbraw/zinc/02/90/31/228029031.db2.gz RZKYGSJVJASRHA-GFCCVEGCSA-N 2 2 280.372 0.440 20 0 CCADLP CCn1cncc1C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000418082092 228016765 /nfs/dbraw/zinc/01/67/65/228016765.db2.gz WNSOMVWHUBVELV-CYBMUJFWSA-N 2 2 266.389 0.839 20 0 CCADLP CCn1cncc1C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000418082092 228016766 /nfs/dbraw/zinc/01/67/66/228016766.db2.gz WNSOMVWHUBVELV-CYBMUJFWSA-N 2 2 266.389 0.839 20 0 CCADLP C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)[C@@H]1C[NH3+] ZINC000070176414 544450412 /nfs/dbraw/zinc/45/04/12/544450412.db2.gz OGXAVJKNCAOLMG-VXGBXAGGSA-N 2 2 250.346 0.859 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000085368937 544494710 /nfs/dbraw/zinc/49/47/10/544494710.db2.gz MFOUTKFOPWMIBT-LSDHHAIUSA-N 2 2 288.395 0.853 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)Cc2cn[nH]c2)CC1 ZINC000085825616 544495903 /nfs/dbraw/zinc/49/59/03/544495903.db2.gz GSKVYLFVXHLEOB-UHFFFAOYSA-N 2 2 293.415 0.831 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2cn[nH]c2)CC1 ZINC000085825616 544495910 /nfs/dbraw/zinc/49/59/10/544495910.db2.gz GSKVYLFVXHLEOB-UHFFFAOYSA-N 2 2 293.415 0.831 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+](Cc2ccco2)CC1)[NH+](C)C ZINC000078661532 544470023 /nfs/dbraw/zinc/47/00/23/544470023.db2.gz IVARHAMHZLLZES-LBPRGKRZSA-N 2 2 265.357 0.874 20 0 CCADLP C[C@]1(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CCC[NH2+]1 ZINC000079516474 544473451 /nfs/dbraw/zinc/47/34/51/544473451.db2.gz AXEYVYXNFICEHX-DZGCQCFKSA-N 2 2 281.400 0.452 20 0 CCADLP O=C(NCCn1cc[nH+]c1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000087618568 544502966 /nfs/dbraw/zinc/50/29/66/544502966.db2.gz OETHXKLYRDVRAK-CQSZACIVSA-N 2 2 270.336 0.886 20 0 CCADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)o2)C1 ZINC000088539214 544509086 /nfs/dbraw/zinc/50/90/86/544509086.db2.gz KXENANADHJXPTI-SNVBAGLBSA-N 2 2 287.385 0.358 20 0 CCADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)o2)C1 ZINC000088539214 544509089 /nfs/dbraw/zinc/50/90/89/544509089.db2.gz KXENANADHJXPTI-SNVBAGLBSA-N 2 2 287.385 0.358 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)NCC[NH+]1CCOCC1 ZINC000111445610 544562011 /nfs/dbraw/zinc/56/20/11/544562011.db2.gz IVTCFXNLUFSMGF-AWEZNQCLSA-N 2 2 298.431 0.492 20 0 CCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)NCC[NH+]1CCOCC1 ZINC000111445610 544562016 /nfs/dbraw/zinc/56/20/16/544562016.db2.gz IVTCFXNLUFSMGF-AWEZNQCLSA-N 2 2 298.431 0.492 20 0 CCADLP C[C@@H]1CN(C[C@H](O)C[N@H+](C)C[C@@H]2CC[NH+](C)C2)C[C@H](C)O1 ZINC000121042580 544574770 /nfs/dbraw/zinc/57/47/70/544574770.db2.gz UQSZMGRLDZUQLS-QKPAOTATSA-N 2 2 299.459 0.340 20 0 CCADLP C[C@@H]1CN(C[C@H](O)C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)C[C@H](C)O1 ZINC000121042580 544574773 /nfs/dbraw/zinc/57/47/73/544574773.db2.gz UQSZMGRLDZUQLS-QKPAOTATSA-N 2 2 299.459 0.340 20 0 CCADLP C[C@@H]1CN(C[C@H](O)C[NH+](C)C[C@@H]2CC[N@H+](C)C2)C[C@H](C)O1 ZINC000121042580 544574775 /nfs/dbraw/zinc/57/47/75/544574775.db2.gz UQSZMGRLDZUQLS-QKPAOTATSA-N 2 2 299.459 0.340 20 0 CCADLP C[C@@H]1CN(C[C@H](O)C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)C[C@H](C)O1 ZINC000121042580 544574777 /nfs/dbraw/zinc/57/47/77/544574777.db2.gz UQSZMGRLDZUQLS-QKPAOTATSA-N 2 2 299.459 0.340 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)CN(C)C[C@@H]2CC[NH+](C)C2)C[C@H](C)O1 ZINC000121042580 544574780 /nfs/dbraw/zinc/57/47/80/544574780.db2.gz UQSZMGRLDZUQLS-QKPAOTATSA-N 2 2 299.459 0.340 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)CN(C)C[C@@H]2CC[NH+](C)C2)C[C@H](C)O1 ZINC000121042580 544574784 /nfs/dbraw/zinc/57/47/84/544574784.db2.gz UQSZMGRLDZUQLS-QKPAOTATSA-N 2 2 299.459 0.340 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN(C)C[C@@H]2CC[N@H+](C)C2)C[C@H](C)O1 ZINC000121042580 544574786 /nfs/dbraw/zinc/57/47/86/544574786.db2.gz UQSZMGRLDZUQLS-QKPAOTATSA-N 2 2 299.459 0.340 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN(C)C[C@@H]2CC[N@@H+](C)C2)C[C@H](C)O1 ZINC000121042580 544574788 /nfs/dbraw/zinc/57/47/88/544574788.db2.gz UQSZMGRLDZUQLS-QKPAOTATSA-N 2 2 299.459 0.340 20 0 CCADLP COc1ccc(C[N@H+](C)C[C@@H]2C[NH2+]CCO2)cc1O ZINC000125486432 544590981 /nfs/dbraw/zinc/59/09/81/544590981.db2.gz JQIHJHJKJSGUPL-LBPRGKRZSA-N 2 2 266.341 0.821 20 0 CCADLP COc1ccc(C[N@@H+](C)C[C@@H]2C[NH2+]CCO2)cc1O ZINC000125486432 544590985 /nfs/dbraw/zinc/59/09/85/544590985.db2.gz JQIHJHJKJSGUPL-LBPRGKRZSA-N 2 2 266.341 0.821 20 0 CCADLP CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000132094143 544622114 /nfs/dbraw/zinc/62/21/14/544622114.db2.gz IQRCOFUTQOFAQY-CYBMUJFWSA-N 2 2 276.384 1.000 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC(C)(C)C2)CC1 ZINC000168435715 544730226 /nfs/dbraw/zinc/73/02/26/544730226.db2.gz SRRPWEHGACQQLT-GFCCVEGCSA-N 2 2 253.390 0.929 20 0 CCADLP Cc1cccn2cc(CCNC(=O)C3([NH3+])CC3)[nH+]c12 ZINC000169036237 544732755 /nfs/dbraw/zinc/73/27/55/544732755.db2.gz YNLZEHONHNLMMJ-UHFFFAOYSA-N 2 2 258.325 0.793 20 0 CCADLP C[N@H+](C[C@@H](O)COCc1ccccc1)C[C@@H]1C[NH2+]CCO1 ZINC000227239542 544832706 /nfs/dbraw/zinc/83/27/06/544832706.db2.gz XSXCFWFCPCXPFA-CVEARBPZSA-N 2 2 294.395 0.484 20 0 CCADLP C[N@@H+](C[C@@H](O)COCc1ccccc1)C[C@@H]1C[NH2+]CCO1 ZINC000227239542 544832712 /nfs/dbraw/zinc/83/27/12/544832712.db2.gz XSXCFWFCPCXPFA-CVEARBPZSA-N 2 2 294.395 0.484 20 0 CCADLP Cc1cncc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000228618591 544845093 /nfs/dbraw/zinc/84/50/93/544845093.db2.gz CDVUEPAKTUYDQZ-UHFFFAOYSA-N 2 2 262.357 0.254 20 0 CCADLP Cc1cncc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000228618591 544845096 /nfs/dbraw/zinc/84/50/96/544845096.db2.gz CDVUEPAKTUYDQZ-UHFFFAOYSA-N 2 2 262.357 0.254 20 0 CCADLP COCC[N@@H+]1CC[C@@H](Nc2nc(C)[nH+]c(N(C)C)n2)C1 ZINC000488378580 420307092 /nfs/dbraw/zinc/30/70/92/420307092.db2.gz KGUBTBDTEAUFFQ-LLVKDONJSA-N 2 2 280.376 0.379 20 0 CCADLP COCC[N@H+]1CC[C@@H](Nc2nc(C)[nH+]c(N(C)C)n2)C1 ZINC000488378580 420307095 /nfs/dbraw/zinc/30/70/95/420307095.db2.gz KGUBTBDTEAUFFQ-LLVKDONJSA-N 2 2 280.376 0.379 20 0 CCADLP C[N@H+](C[C@@H]1C[NH2+]CCO1)C[C@H]1COc2ccccc2O1 ZINC000250491406 544923100 /nfs/dbraw/zinc/92/31/00/544923100.db2.gz YCFAMNXIQKYHCV-STQMWFEESA-N 2 2 278.352 0.747 20 0 CCADLP C[N@@H+](C[C@@H]1C[NH2+]CCO1)C[C@H]1COc2ccccc2O1 ZINC000250491406 544923103 /nfs/dbraw/zinc/92/31/03/544923103.db2.gz YCFAMNXIQKYHCV-STQMWFEESA-N 2 2 278.352 0.747 20 0 CCADLP CS(=O)(=O)CCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250927236 544925081 /nfs/dbraw/zinc/92/50/81/544925081.db2.gz ATYBDFPGJSQACW-QWHCGFSZSA-N 2 2 274.430 0.885 20 0 CCADLP CS(=O)(=O)CCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250927236 544925083 /nfs/dbraw/zinc/92/50/83/544925083.db2.gz ATYBDFPGJSQACW-QWHCGFSZSA-N 2 2 274.430 0.885 20 0 CCADLP O=C1CNC(=O)N1CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000328623461 545017754 /nfs/dbraw/zinc/01/77/54/545017754.db2.gz YWASXANQRVCQHB-UHFFFAOYSA-N 2 2 294.399 0.693 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CCn2cc[nH+]c2C1 ZINC000527595920 269821476 /nfs/dbraw/zinc/82/14/76/269821476.db2.gz XQETZFPQHMLTLW-NEPJUHHUSA-N 2 2 274.368 0.846 20 0 CCADLP CN1CC[C@H]([N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)C1=O ZINC000156355869 263084824 /nfs/dbraw/zinc/08/48/24/263084824.db2.gz MARFBGVCGXGIJT-STQMWFEESA-N 2 2 261.325 0.765 20 0 CCADLP CN1CC[C@H]([N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)C1=O ZINC000156355869 263084825 /nfs/dbraw/zinc/08/48/25/263084825.db2.gz MARFBGVCGXGIJT-STQMWFEESA-N 2 2 261.325 0.765 20 0 CCADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493198776 273795527 /nfs/dbraw/zinc/79/55/27/273795527.db2.gz ZSWDDBJOCOUMMI-GFUIURDCSA-N 2 2 292.383 0.992 20 0 CCADLP C[C@@H]1CCC[N@H+](CCn2nc3ccccn3c2=O)[C@@H]1C[NH3+] ZINC000070177949 274290839 /nfs/dbraw/zinc/29/08/39/274290839.db2.gz SWHBEXWKIATPAP-CHWSQXEVSA-N 2 2 289.383 0.555 20 0 CCADLP C[C@@H]1CCC[N@@H+](CCn2nc3ccccn3c2=O)[C@@H]1C[NH3+] ZINC000070177949 274290841 /nfs/dbraw/zinc/29/08/41/274290841.db2.gz SWHBEXWKIATPAP-CHWSQXEVSA-N 2 2 289.383 0.555 20 0 CCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@H]1C[NH2+]CCO1)C2 ZINC000168416245 275761368 /nfs/dbraw/zinc/76/13/68/275761368.db2.gz GIOFZUVVKUIPGW-CYBMUJFWSA-N 2 2 292.383 0.417 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC000489331118 276031131 /nfs/dbraw/zinc/03/11/31/276031131.db2.gz OENNVDOIWYNFGO-CHWSQXEVSA-N 2 2 269.389 0.116 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC000489331118 276031132 /nfs/dbraw/zinc/03/11/32/276031132.db2.gz OENNVDOIWYNFGO-CHWSQXEVSA-N 2 2 269.389 0.116 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC000489331118 276031133 /nfs/dbraw/zinc/03/11/33/276031133.db2.gz OENNVDOIWYNFGO-CHWSQXEVSA-N 2 2 269.389 0.116 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC000489331118 276031134 /nfs/dbraw/zinc/03/11/34/276031134.db2.gz OENNVDOIWYNFGO-CHWSQXEVSA-N 2 2 269.389 0.116 20 0 CCADLP CC[N@H+](CCNc1nc(C)[nH+]c(N(C)C)n1)C1CC1 ZINC000488419664 276124681 /nfs/dbraw/zinc/12/46/81/276124681.db2.gz HJIUKPOSEZCZIV-UHFFFAOYSA-N 2 2 264.377 0.564 20 0 CCADLP CC[N@@H+](CCNc1nc(C)[nH+]c(N(C)C)n1)C1CC1 ZINC000488419664 276124683 /nfs/dbraw/zinc/12/46/83/276124683.db2.gz HJIUKPOSEZCZIV-UHFFFAOYSA-N 2 2 264.377 0.564 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000352967022 276205118 /nfs/dbraw/zinc/20/51/18/276205118.db2.gz KORVDSPDPOGVDG-CHWSQXEVSA-N 2 2 292.383 0.836 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000352967022 276205119 /nfs/dbraw/zinc/20/51/19/276205119.db2.gz KORVDSPDPOGVDG-CHWSQXEVSA-N 2 2 292.383 0.836 20 0 CCADLP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CCO1 ZINC000328938424 276766242 /nfs/dbraw/zinc/76/62/42/276766242.db2.gz GSNCOYGHAVFQMY-GXTWGEPZSA-N 2 2 292.383 0.235 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000019504365 276920694 /nfs/dbraw/zinc/92/06/94/276920694.db2.gz JJLJCXSAEREQSH-AVGNSLFASA-N 2 2 251.374 0.681 20 0 CCADLP C[NH2+]CCCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377196168 277021850 /nfs/dbraw/zinc/02/18/50/277021850.db2.gz HHGISNVPOIPEFE-ZDUSSCGKSA-N 3 2 282.432 0.271 20 0 CCADLP C[NH2+]CCCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377196168 277021851 /nfs/dbraw/zinc/02/18/51/277021851.db2.gz HHGISNVPOIPEFE-ZDUSSCGKSA-N 3 2 282.432 0.271 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000418380409 277030801 /nfs/dbraw/zinc/03/08/01/277030801.db2.gz HKQHWFNSRBEAPC-IHRRRGAJSA-N 2 2 298.431 0.347 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)C1 ZINC000430918685 277033356 /nfs/dbraw/zinc/03/33/56/277033356.db2.gz NTSULQUTOMJCKC-TZMCWYRMSA-N 2 2 291.399 0.457 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)C1 ZINC000430918685 277033357 /nfs/dbraw/zinc/03/33/57/277033357.db2.gz NTSULQUTOMJCKC-TZMCWYRMSA-N 2 2 291.399 0.457 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCC2(C)C)CC1 ZINC000094324384 277090642 /nfs/dbraw/zinc/09/06/42/277090642.db2.gz MKOFXSIOVGRZJU-LBPRGKRZSA-N 2 2 253.390 0.929 20 0 CCADLP CN1CCN(c2cc(NC3CC3)[nH+]cn2)[C@@H](C[NH3+])C1 ZINC000514663780 277112560 /nfs/dbraw/zinc/11/25/60/277112560.db2.gz DPXQTHKRCZOZQU-NSHDSACASA-N 2 2 262.361 0.130 20 0 CCADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)NCC[NH+]3CCOCC3)C2)C1 ZINC000368041414 277159374 /nfs/dbraw/zinc/15/93/74/277159374.db2.gz KIECBHOXRQMVFM-OAHLLOKOSA-N 2 2 296.415 0.056 20 0 CCADLP C[N@H+]1CC[C@@]2(CCN(C(=O)NCC[NH+]3CCOCC3)C2)C1 ZINC000368041414 277159376 /nfs/dbraw/zinc/15/93/76/277159376.db2.gz KIECBHOXRQMVFM-OAHLLOKOSA-N 2 2 296.415 0.056 20 0 CCADLP COCCN(CC[NH+](C)C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000362164335 277216359 /nfs/dbraw/zinc/21/63/59/277216359.db2.gz VHDYUBTZGCPZJM-CYBMUJFWSA-N 2 2 294.399 0.482 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000495054372 277221823 /nfs/dbraw/zinc/22/18/23/277221823.db2.gz TZZUFBSWKRCXMB-CHWSQXEVSA-N 2 2 283.416 0.744 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000495054372 277221826 /nfs/dbraw/zinc/22/18/26/277221826.db2.gz TZZUFBSWKRCXMB-CHWSQXEVSA-N 2 2 283.416 0.744 20 0 CCADLP COCCOCCC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000070142887 277230982 /nfs/dbraw/zinc/23/09/82/277230982.db2.gz GFWGTLWPDPAPAY-UHFFFAOYSA-N 2 2 270.377 0.629 20 0 CCADLP C[NH2+]CC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000262673616 277264486 /nfs/dbraw/zinc/26/44/86/277264486.db2.gz QFAYIFSBNUYPSY-HNNXBMFYSA-N 2 2 291.395 0.266 20 0 CCADLP COC[C@](C)(O)CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000449384652 277268621 /nfs/dbraw/zinc/26/86/21/277268621.db2.gz NZIMRVAVJTWWFC-OUCADQQQSA-N 2 2 256.390 0.989 20 0 CCADLP COC[C@](C)(O)CC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000449384652 277268622 /nfs/dbraw/zinc/26/86/22/277268622.db2.gz NZIMRVAVJTWWFC-OUCADQQQSA-N 2 2 256.390 0.989 20 0 CCADLP CC(C)[C@H](C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)[C@H](C)[NH3+] ZINC000423393523 277872916 /nfs/dbraw/zinc/87/29/16/277872916.db2.gz YQJILWNIOJCSAW-DGAVXFQQSA-N 2 2 285.432 0.831 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000417022611 278225547 /nfs/dbraw/zinc/22/55/47/278225547.db2.gz VFEDYUUSVXVFHB-JTQLQIEISA-N 2 2 265.361 0.684 20 0 CCADLP C[C@H]1CC[C@@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000336514562 278378134 /nfs/dbraw/zinc/37/81/34/278378134.db2.gz CNKFXAFKNOGXLD-QWHCGFSZSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@H]1CC[C@@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000336514562 278378135 /nfs/dbraw/zinc/37/81/35/278378135.db2.gz CNKFXAFKNOGXLD-QWHCGFSZSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@H]1CC[C@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000336514563 278382468 /nfs/dbraw/zinc/38/24/68/278382468.db2.gz CNKFXAFKNOGXLD-STQMWFEESA-N 2 2 253.390 0.881 20 0 CCADLP C[C@H]1CC[C@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000336514563 278382470 /nfs/dbraw/zinc/38/24/70/278382470.db2.gz CNKFXAFKNOGXLD-STQMWFEESA-N 2 2 253.390 0.881 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2[nH+]ccn2C)[C@@H](C)C1 ZINC000287347622 278398211 /nfs/dbraw/zinc/39/82/11/278398211.db2.gz IZWRZEQVYYUMHT-NWDGAFQWSA-N 2 2 295.387 0.017 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2[nH+]ccn2C)[C@@H](C)C1 ZINC000287347622 278398213 /nfs/dbraw/zinc/39/82/13/278398213.db2.gz IZWRZEQVYYUMHT-NWDGAFQWSA-N 2 2 295.387 0.017 20 0 CCADLP CC(C)C[NH+]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000338156241 278886542 /nfs/dbraw/zinc/88/65/42/278886542.db2.gz MQOKYTHQQSQJHP-UHFFFAOYSA-N 2 2 297.443 0.897 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000094648361 279033974 /nfs/dbraw/zinc/03/39/74/279033974.db2.gz JJMFJVJKHGDROZ-MELADBBJSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C[C@@H](O)C[NH+]1CCOCC1 ZINC000347274288 279088092 /nfs/dbraw/zinc/08/80/92/279088092.db2.gz AAGYKWRFRUMUFN-PMPSAXMXSA-N 2 2 297.443 0.238 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000068084715 279090995 /nfs/dbraw/zinc/09/09/95/279090995.db2.gz YQQPWVPAFYIPSS-GFCCVEGCSA-N 2 2 257.378 0.165 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000305113006 288104247 /nfs/dbraw/zinc/10/42/47/288104247.db2.gz GRTZJOWWNIWTTO-TUVASFSCSA-N 3 2 269.433 0.761 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000305113006 288104248 /nfs/dbraw/zinc/10/42/48/288104248.db2.gz GRTZJOWWNIWTTO-TUVASFSCSA-N 3 2 269.433 0.761 20 0 CCADLP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000041573347 279167756 /nfs/dbraw/zinc/16/77/56/279167756.db2.gz GDEKTAZHDFIZRJ-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CC[N@H+](CC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])C1CC1 ZINC000422879848 279206790 /nfs/dbraw/zinc/20/67/90/279206790.db2.gz MVTFJRLPDWQUQB-KWCYVHTRSA-N 3 2 255.406 0.813 20 0 CCADLP CC[N@@H+](CC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])C1CC1 ZINC000422879848 279206791 /nfs/dbraw/zinc/20/67/91/279206791.db2.gz MVTFJRLPDWQUQB-KWCYVHTRSA-N 3 2 255.406 0.813 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418382709 279316181 /nfs/dbraw/zinc/31/61/81/279316181.db2.gz YWPPAKQYLAXNLG-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421001638 279316771 /nfs/dbraw/zinc/31/67/71/279316771.db2.gz LHSJETFOMCONRF-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C[C@H]1CCC[N@H+]1C ZINC000421001638 279316773 /nfs/dbraw/zinc/31/67/73/279316773.db2.gz LHSJETFOMCONRF-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP CC[C@H]1C(=O)NCC[N@H+]1C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420296395 288177997 /nfs/dbraw/zinc/17/79/97/288177997.db2.gz DMARLSYBVVGQLD-ZFWWWQNUSA-N 2 2 291.395 0.948 20 0 CCADLP CC[C@H]1C(=O)NCC[N@@H+]1C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420296395 288177998 /nfs/dbraw/zinc/17/79/98/288177998.db2.gz DMARLSYBVVGQLD-ZFWWWQNUSA-N 2 2 291.395 0.948 20 0 CCADLP CC[C@@H](C(=O)NCC[N@@H+]1CCOC[C@H]1C)[NH+](C)C ZINC000338969674 280076592 /nfs/dbraw/zinc/07/65/92/280076592.db2.gz AXATZBQNHUJDJA-NEPJUHHUSA-N 2 2 257.378 0.164 20 0 CCADLP CC[C@@H](C(=O)NCC[N@H+]1CCOC[C@H]1C)[NH+](C)C ZINC000338969674 280076593 /nfs/dbraw/zinc/07/65/93/280076593.db2.gz AXATZBQNHUJDJA-NEPJUHHUSA-N 2 2 257.378 0.164 20 0 CCADLP CC(C)[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C(=O)N1CCOCC1 ZINC000422848005 280332538 /nfs/dbraw/zinc/33/25/38/280332538.db2.gz JCTKORVPVKSDKZ-IHRRRGAJSA-N 2 2 283.416 0.600 20 0 CCADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000417422872 288327277 /nfs/dbraw/zinc/32/72/77/288327277.db2.gz LNMHXHIJAOEFMW-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000417422872 288327279 /nfs/dbraw/zinc/32/72/79/288327279.db2.gz LNMHXHIJAOEFMW-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000070011359 289242950 /nfs/dbraw/zinc/24/29/50/289242950.db2.gz HAMLJTKXXOHOMY-ZIAGYGMSSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000070011359 289242952 /nfs/dbraw/zinc/24/29/52/289242952.db2.gz HAMLJTKXXOHOMY-ZIAGYGMSSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@H](C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)[NH+]1CCOCC1 ZINC000428724196 289274900 /nfs/dbraw/zinc/27/49/00/289274900.db2.gz VITBKYHRZGQVFG-RBSFLKMASA-N 2 2 295.427 0.650 20 0 CCADLP C[C@H](C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)[NH+]1CCOCC1 ZINC000428724196 289274904 /nfs/dbraw/zinc/27/49/04/289274904.db2.gz VITBKYHRZGQVFG-RBSFLKMASA-N 2 2 295.427 0.650 20 0 CCADLP C[C@H](C(=O)N1CCC[C@H]([NH+](C)C)CC1)[NH+]1CCN(C)CC1 ZINC000430422350 289277651 /nfs/dbraw/zinc/27/76/51/289277651.db2.gz DOJGBZCYZUGQQA-CABCVRRESA-N 2 2 296.459 0.565 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000358521849 289516425 /nfs/dbraw/zinc/51/64/25/289516425.db2.gz PQABREWJAHAUMP-MGPQQGTHSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)[C@@H]1CCC[NH2+]1 ZINC000422918348 290000413 /nfs/dbraw/zinc/00/04/13/290000413.db2.gz HCTOJCCKQSKMFW-FHUSYTEZSA-N 2 2 251.374 0.726 20 0 CCADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000423877961 290107376 /nfs/dbraw/zinc/10/73/76/290107376.db2.gz UBJRGVWOTHPLQL-GJZGRUSLSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000423877961 290107379 /nfs/dbraw/zinc/10/73/79/290107379.db2.gz UBJRGVWOTHPLQL-GJZGRUSLSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H](c1nnnn1C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000276229307 290287435 /nfs/dbraw/zinc/28/74/35/290287435.db2.gz MXZZKOKRDKHYHW-ZJUUUORDSA-N 2 2 261.333 0.874 20 0 CCADLP C[C@H](c1nnnn1C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000276229307 290287440 /nfs/dbraw/zinc/28/74/40/290287440.db2.gz MXZZKOKRDKHYHW-ZJUUUORDSA-N 2 2 261.333 0.874 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)CCNC(=O)C(C)C ZINC000581862713 336153560 /nfs/dbraw/zinc/15/35/60/336153560.db2.gz WIPYDUXEEVMFEM-LBPRGKRZSA-N 2 2 259.394 0.003 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCNC(=O)C(C)C ZINC000581862713 336153561 /nfs/dbraw/zinc/15/35/61/336153561.db2.gz WIPYDUXEEVMFEM-LBPRGKRZSA-N 2 2 259.394 0.003 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)CCNC(=O)C(C)C ZINC000581862713 336153563 /nfs/dbraw/zinc/15/35/63/336153563.db2.gz WIPYDUXEEVMFEM-LBPRGKRZSA-N 2 2 259.394 0.003 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCNC(=O)C(C)C ZINC000581862713 336153566 /nfs/dbraw/zinc/15/35/66/336153566.db2.gz WIPYDUXEEVMFEM-LBPRGKRZSA-N 2 2 259.394 0.003 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000399486626 545089341 /nfs/dbraw/zinc/08/93/41/545089341.db2.gz GSJBNJASFKRIJJ-CRWXNKLISA-N 2 2 258.406 0.902 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000399486626 545089342 /nfs/dbraw/zinc/08/93/42/545089342.db2.gz GSJBNJASFKRIJJ-CRWXNKLISA-N 2 2 258.406 0.902 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000399486626 545089343 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O=C(NCCn1cc[nH+]c1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000580052067 327684075 /nfs/dbraw/zinc/68/40/75/327684075.db2.gz DMGPNJGTGVOQMO-LSDHHAIUSA-N 2 2 299.378 0.938 20 0 CCADLP C[C@H](C[NH2+]C[C@H](O)CC(F)(F)F)C[NH+]1CCOCC1 ZINC000580064578 327687948 /nfs/dbraw/zinc/68/79/48/327687948.db2.gz LDCVBWPIFDMFJZ-GHMZBOCLSA-N 2 2 284.322 0.858 20 0 CCADLP C[NH2+][C@@H](C)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000580345410 328548988 /nfs/dbraw/zinc/54/89/88/328548988.db2.gz GTXFXAJCVWLDCH-NSHDSACASA-N 2 2 278.356 0.773 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000576289805 327027485 /nfs/dbraw/zinc/02/74/85/327027485.db2.gz PUDLAFHEJMVLTJ-JKSUJKDBSA-N 3 2 299.459 0.343 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000576289805 327027486 /nfs/dbraw/zinc/02/74/86/327027486.db2.gz PUDLAFHEJMVLTJ-JKSUJKDBSA-N 3 2 299.459 0.343 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000576289805 327027487 /nfs/dbraw/zinc/02/74/87/327027487.db2.gz PUDLAFHEJMVLTJ-JKSUJKDBSA-N 3 2 299.459 0.343 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000576289805 327027488 /nfs/dbraw/zinc/02/74/88/327027488.db2.gz PUDLAFHEJMVLTJ-JKSUJKDBSA-N 3 2 299.459 0.343 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000584122852 327045158 /nfs/dbraw/zinc/04/51/58/327045158.db2.gz DNAMGOGNTKHJPA-MNOVXSKESA-N 2 2 250.346 0.799 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000584122852 327045159 /nfs/dbraw/zinc/04/51/59/327045159.db2.gz DNAMGOGNTKHJPA-MNOVXSKESA-N 2 2 250.346 0.799 20 0 CCADLP Cn1c[nH+]cc1C[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC000584166997 327054693 /nfs/dbraw/zinc/05/46/93/327054693.db2.gz APTMCJXWJJYEAQ-NSHDSACASA-N 2 2 250.346 0.909 20 0 CCADLP CC[C@@H]1C[C@H](CN2CC[N@H+](C)C[C@@H]2C[NH3+])CCO1 ZINC000584231984 327071012 /nfs/dbraw/zinc/07/10/12/327071012.db2.gz YSQJJNJKHDXTAH-HZSPNIEDSA-N 2 2 255.406 0.766 20 0 CCADLP CC[C@@H]1C[C@H](CN2CC[N@@H+](C)C[C@@H]2C[NH3+])CCO1 ZINC000584231984 327071014 /nfs/dbraw/zinc/07/10/14/327071014.db2.gz YSQJJNJKHDXTAH-HZSPNIEDSA-N 2 2 255.406 0.766 20 0 CCADLP Cc1cccnc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000577076830 327077191 /nfs/dbraw/zinc/07/71/91/327077191.db2.gz DNXOWMKSFHQTSU-RYUDHWBXSA-N 2 2 260.341 0.134 20 0 CCADLP Cc1cccnc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000577076830 327077192 /nfs/dbraw/zinc/07/71/92/327077192.db2.gz DNXOWMKSFHQTSU-RYUDHWBXSA-N 2 2 260.341 0.134 20 0 CCADLP COC[C@]1(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC[NH2+]C1 ZINC000566161134 327151276 /nfs/dbraw/zinc/15/12/76/327151276.db2.gz IZDKYZPDPSYOSR-WFASDCNBSA-N 2 2 292.383 0.742 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC000554564897 327234415 /nfs/dbraw/zinc/23/44/15/327234415.db2.gz ZSZLFYVKTWSHID-LBPRGKRZSA-N 2 2 264.373 0.953 20 0 CCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC000554564897 327234416 /nfs/dbraw/zinc/23/44/16/327234416.db2.gz ZSZLFYVKTWSHID-LBPRGKRZSA-N 2 2 264.373 0.953 20 0 CCADLP O=C(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)NCC1CC1 ZINC000583601335 328629830 /nfs/dbraw/zinc/62/98/30/328629830.db2.gz WYZCAIPHIYHKMD-UHFFFAOYSA-N 2 2 263.345 0.058 20 0 CCADLP C[C@@H](C[NH2+]Cc1ccn2cc[nH+]c2c1)S(C)(=O)=O ZINC000582481946 329095787 /nfs/dbraw/zinc/09/57/87/329095787.db2.gz MUQJYZQEJIMBNK-JTQLQIEISA-N 2 2 267.354 0.857 20 0 CCADLP O=C(NCc1cn2ccccc2[nH+]1)N[C@H]1CC[NH2+]C1 ZINC000582676913 329120913 /nfs/dbraw/zinc/12/09/13/329120913.db2.gz MTAPKZHUWQKJBQ-JTQLQIEISA-N 2 2 259.313 0.495 20 0 CCADLP C[C@H](C(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C)[NH+]1CC(C)C1 ZINC000583093355 329314770 /nfs/dbraw/zinc/31/47/70/329314770.db2.gz HZZMFKOPXMZTPM-MGPQQGTHSA-N 2 2 283.416 0.240 20 0 CCADLP C[C@H](C(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C)[NH+]1CC(C)C1 ZINC000583093355 329314771 /nfs/dbraw/zinc/31/47/71/329314771.db2.gz HZZMFKOPXMZTPM-MGPQQGTHSA-N 2 2 283.416 0.240 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000583153532 329323668 /nfs/dbraw/zinc/32/36/68/329323668.db2.gz NZTKPEAYMVVEIN-UPJWGTAASA-N 2 2 294.399 0.502 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000583153532 329323670 /nfs/dbraw/zinc/32/36/70/329323670.db2.gz NZTKPEAYMVVEIN-UPJWGTAASA-N 2 2 294.399 0.502 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000583153532 329323672 /nfs/dbraw/zinc/32/36/72/329323672.db2.gz NZTKPEAYMVVEIN-UPJWGTAASA-N 2 2 294.399 0.502 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000583153532 329323674 /nfs/dbraw/zinc/32/36/74/329323674.db2.gz NZTKPEAYMVVEIN-UPJWGTAASA-N 2 2 294.399 0.502 20 0 CCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC000580435064 330133432 /nfs/dbraw/zinc/13/34/32/330133432.db2.gz YJGWVJMSXFTAPC-UMVBOHGHSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC000580435064 330133434 /nfs/dbraw/zinc/13/34/34/330133434.db2.gz YJGWVJMSXFTAPC-UMVBOHGHSA-N 2 2 288.395 0.998 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)n1C ZINC000575322575 335093793 /nfs/dbraw/zinc/09/37/93/335093793.db2.gz MHCBSDNNWRTWOB-NSHDSACASA-N 2 2 291.399 0.587 20 0 CCADLP CN(C)c1[nH+]cc(CNC[C@H](O)C[N@H+](C)C2CC2)n1C ZINC000575861636 335124646 /nfs/dbraw/zinc/12/46/46/335124646.db2.gz DHQHJTUBRSUTIG-ZDUSSCGKSA-N 2 2 281.404 0.031 20 0 CCADLP CN(C)c1[nH+]cc(CNC[C@H](O)C[N@@H+](C)C2CC2)n1C ZINC000575861636 335124647 /nfs/dbraw/zinc/12/46/47/335124647.db2.gz DHQHJTUBRSUTIG-ZDUSSCGKSA-N 2 2 281.404 0.031 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C[C@@H]([NH3+])c2ccccc2)CCO1 ZINC000576111093 335156143 /nfs/dbraw/zinc/15/61/43/335156143.db2.gz KFCYJOJVALTHRE-UKRRQHHQSA-N 2 2 291.395 0.913 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C[C@@H]([NH3+])c2ccccc2)CCO1 ZINC000576111093 335156144 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COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000576289803 335184556 /nfs/dbraw/zinc/18/45/56/335184556.db2.gz PUDLAFHEJMVLTJ-HOTGVXAUSA-N 3 2 299.459 0.343 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000576289803 335184557 /nfs/dbraw/zinc/18/45/57/335184557.db2.gz PUDLAFHEJMVLTJ-HOTGVXAUSA-N 3 2 299.459 0.343 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000576289803 335184558 /nfs/dbraw/zinc/18/45/58/335184558.db2.gz PUDLAFHEJMVLTJ-HOTGVXAUSA-N 3 2 299.459 0.343 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CC2(N3CCOCC3)CC2)n1C ZINC000576480497 335210252 /nfs/dbraw/zinc/21/02/52/335210252.db2.gz LZHWMVDSEUXCKR-UHFFFAOYSA-N 2 2 264.373 0.683 20 0 CCADLP CCS(=O)(=O)NCCC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000576526871 335215209 /nfs/dbraw/zinc/21/52/09/335215209.db2.gz KHLYDFCRCJXHKY-QWHCGFSZSA-N 2 2 289.445 0.484 20 0 CCADLP CCS(=O)(=O)NCCC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000576526871 335215210 /nfs/dbraw/zinc/21/52/10/335215210.db2.gz KHLYDFCRCJXHKY-QWHCGFSZSA-N 2 2 289.445 0.484 20 0 CCADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000576626746 335227418 /nfs/dbraw/zinc/22/74/18/335227418.db2.gz JKEUJVBCDVCSIJ-UMFZCAQGSA-N 3 2 279.428 0.859 20 0 CCADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000577000097 335276342 /nfs/dbraw/zinc/27/63/42/335276342.db2.gz UFUDZMDHJSPUAM-CYBMUJFWSA-N 2 2 264.373 0.977 20 0 CCADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000577000097 335276344 /nfs/dbraw/zinc/27/63/44/335276344.db2.gz UFUDZMDHJSPUAM-CYBMUJFWSA-N 2 2 264.373 0.977 20 0 CCADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cc1c[nH+]cn1C ZINC000577015992 335282473 /nfs/dbraw/zinc/28/24/73/335282473.db2.gz FCCFUKCOUMPELJ-QWRGUYRKSA-N 2 2 250.346 0.514 20 0 CCADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)Cc1c[nH+]cn1C ZINC000577015992 335282474 /nfs/dbraw/zinc/28/24/74/335282474.db2.gz FCCFUKCOUMPELJ-QWRGUYRKSA-N 2 2 250.346 0.514 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCCC2)CC1 ZINC000176505437 335290437 /nfs/dbraw/zinc/29/04/37/335290437.db2.gz XSPIAZXTRATWTF-UHFFFAOYSA-N 2 2 268.405 0.818 20 0 CCADLP COCC[N@H+](C)C[C@H](O)Cn1cc[nH+]c1-c1ccncc1 ZINC000577191360 335320053 /nfs/dbraw/zinc/32/00/53/335320053.db2.gz IRVCQVNEVMRKOD-AWEZNQCLSA-N 2 2 290.367 0.884 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)Cn1cc[nH+]c1-c1ccncc1 ZINC000577191360 335320055 /nfs/dbraw/zinc/32/00/55/335320055.db2.gz IRVCQVNEVMRKOD-AWEZNQCLSA-N 2 2 290.367 0.884 20 0 CCADLP CC1(C)CN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC[NH2+]1 ZINC000577357299 335342165 /nfs/dbraw/zinc/34/21/65/335342165.db2.gz JHPZFIXUZGLXKP-GFCCVEGCSA-N 2 2 291.399 0.626 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc(OCCO)cc1)C1CC1 ZINC000577633342 335383555 /nfs/dbraw/zinc/38/35/55/335383555.db2.gz GQVQUGTUCHPLDX-OAHLLOKOSA-N 2 2 294.395 0.602 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc(OCCO)cc1)C1CC1 ZINC000577633342 335383556 /nfs/dbraw/zinc/38/35/56/335383556.db2.gz GQVQUGTUCHPLDX-OAHLLOKOSA-N 2 2 294.395 0.602 20 0 CCADLP CS(=O)(=O)CCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000577730859 335393638 /nfs/dbraw/zinc/39/36/38/335393638.db2.gz YUUDVHHSJWKEBY-GFCCVEGCSA-N 2 2 260.403 0.497 20 0 CCADLP CS(=O)(=O)CCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000577730859 335393639 /nfs/dbraw/zinc/39/36/39/335393639.db2.gz YUUDVHHSJWKEBY-GFCCVEGCSA-N 2 2 260.403 0.497 20 0 CCADLP Cc1cn2cc(NC(=O)C(=O)N[C@H]3CC[NH2+]C3)ccc2[nH+]1 ZINC000577748448 335396749 /nfs/dbraw/zinc/39/67/49/335396749.db2.gz YJROHOMXZNWYKP-JTQLQIEISA-N 2 2 287.323 0.059 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000578232661 335589283 /nfs/dbraw/zinc/58/92/83/335589283.db2.gz BMYRMLYNSVSCLA-JSGCOSHPSA-N 2 2 297.399 0.721 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000578354914 335618811 /nfs/dbraw/zinc/61/88/11/335618811.db2.gz NEQPEHRVZMOMDR-VHSXEESVSA-N 2 2 253.350 0.828 20 0 CCADLP C[C@@H](CCC[NH3+])NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000579110052 335710375 /nfs/dbraw/zinc/71/03/75/335710375.db2.gz NQYNPCABONBCFT-JTQLQIEISA-N 2 2 274.328 0.520 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+][C@H]2CC[C@@H](CO)C2)C[C@@H](C)O1 ZINC000579473538 335767703 /nfs/dbraw/zinc/76/77/03/335767703.db2.gz ZAVWCKVHUNWRPY-ZSAUSMIDSA-N 2 2 286.416 0.207 20 0 CCADLP C[C@H](C(=O)Nc1ccnn1CC[NH+](C)C)[NH+]1CC(C)C1 ZINC000580783107 335966638 /nfs/dbraw/zinc/96/66/38/335966638.db2.gz JBHJZCBHAKRXHM-GFCCVEGCSA-N 2 2 279.388 0.723 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1C[C@H](C)O ZINC000380604213 336003905 /nfs/dbraw/zinc/00/39/05/336003905.db2.gz CPEIPJYGNCNEBQ-KKUMJFAQSA-N 2 2 288.432 0.551 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1C[C@H](C)O ZINC000380604213 336003906 /nfs/dbraw/zinc/00/39/06/336003906.db2.gz CPEIPJYGNCNEBQ-KKUMJFAQSA-N 2 2 288.432 0.551 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000380604213 336003907 /nfs/dbraw/zinc/00/39/07/336003907.db2.gz CPEIPJYGNCNEBQ-KKUMJFAQSA-N 2 2 288.432 0.551 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000380604213 336003908 /nfs/dbraw/zinc/00/39/08/336003908.db2.gz CPEIPJYGNCNEBQ-KKUMJFAQSA-N 2 2 288.432 0.551 20 0 CCADLP CCn1cc[nH+]c1CN(CC[NH+](C)C)CC[NH+](C)C ZINC000581099831 336008255 /nfs/dbraw/zinc/00/82/55/336008255.db2.gz XOXNHGGVRUYXGJ-UHFFFAOYSA-N 3 2 267.421 0.828 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC[C@H]2CCCCO2)[C@H](C[NH3+])C1 ZINC000581240645 336029698 /nfs/dbraw/zinc/02/96/98/336029698.db2.gz UKYXYZLKLLUROX-CHWSQXEVSA-N 2 2 284.404 0.230 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC[C@H]2CCCCO2)[C@H](C[NH3+])C1 ZINC000581240645 336029699 /nfs/dbraw/zinc/02/96/99/336029699.db2.gz UKYXYZLKLLUROX-CHWSQXEVSA-N 2 2 284.404 0.230 20 0 CCADLP [NH3+][C@H]1CCCC[C@H]1CC(=O)NCCc1[nH]cc[nH+]1 ZINC000381049512 336047174 /nfs/dbraw/zinc/04/71/74/336047174.db2.gz YHEOCVZLJQZMQB-QWRGUYRKSA-N 2 2 250.346 0.976 20 0 CCADLP CCCCOCC[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000581424574 336074914 /nfs/dbraw/zinc/07/49/14/336074914.db2.gz WWPXSYKOALNEQU-KFWWJZLASA-N 2 2 288.432 0.863 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](SC)C1 ZINC000382939712 336099249 /nfs/dbraw/zinc/09/92/49/336099249.db2.gz MLQTWPHKTJGRJG-RYUDHWBXSA-N 2 2 262.419 0.363 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](SC)C1 ZINC000382939712 336099251 /nfs/dbraw/zinc/09/92/51/336099251.db2.gz MLQTWPHKTJGRJG-RYUDHWBXSA-N 2 2 262.419 0.363 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](SC)C1 ZINC000382939712 336099253 /nfs/dbraw/zinc/09/92/53/336099253.db2.gz MLQTWPHKTJGRJG-RYUDHWBXSA-N 2 2 262.419 0.363 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](SC)C1 ZINC000382939712 336099255 /nfs/dbraw/zinc/09/92/55/336099255.db2.gz MLQTWPHKTJGRJG-RYUDHWBXSA-N 2 2 262.419 0.363 20 0 CCADLP C[C@@H]1CCC[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000383102372 336104194 /nfs/dbraw/zinc/10/41/94/336104194.db2.gz FSMIXKYNBCXLTK-AGIUHOORSA-N 2 2 253.390 0.914 20 0 CCADLP C[C@@H]1CCC[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000383102372 336104195 /nfs/dbraw/zinc/10/41/95/336104195.db2.gz FSMIXKYNBCXLTK-AGIUHOORSA-N 2 2 253.390 0.914 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CC3CCC2CC3)[C@@H](C[NH3+])C1 ZINC000581874296 336156009 /nfs/dbraw/zinc/15/60/09/336156009.db2.gz DSDIRXTYGHQRKY-CLRIEMFWSA-N 2 2 280.416 0.849 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000377635542 519680209 /nfs/dbraw/zinc/68/02/09/519680209.db2.gz WGBXRINCPPKTOH-CQSZACIVSA-N 2 2 283.416 0.648 20 0 CCADLP CCOCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000070264285 521660225 /nfs/dbraw/zinc/66/02/25/521660225.db2.gz CSGMJTXQAGIXPQ-UHFFFAOYSA-N 2 2 271.405 0.507 20 0 CCADLP CCOCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000070264285 521660227 /nfs/dbraw/zinc/66/02/27/521660227.db2.gz CSGMJTXQAGIXPQ-UHFFFAOYSA-N 2 2 271.405 0.507 20 0 CCADLP C[C@@H](C[NH3+])CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000417924869 533767559 /nfs/dbraw/zinc/76/75/59/533767559.db2.gz MUUWHQUCJMAKAQ-NWDGAFQWSA-N 2 2 277.372 0.554 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)oc1C ZINC000358297506 533822687 /nfs/dbraw/zinc/82/26/87/533822687.db2.gz KPDJDGYDBLYVJU-CQSZACIVSA-N 2 2 282.340 0.531 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)oc1C ZINC000358297506 533822692 /nfs/dbraw/zinc/82/26/92/533822692.db2.gz KPDJDGYDBLYVJU-CQSZACIVSA-N 2 2 282.340 0.531 20 0 CCADLP Cn1cc(C[NH+]2CCN(C(=O)[C@@H]3CCC[C@@H]3[NH3+])CC2)cn1 ZINC000430998727 545094820 /nfs/dbraw/zinc/09/48/20/545094820.db2.gz CYHIEUVHTIMKDT-KGLIPLIRSA-N 2 2 291.399 0.192 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1cn[nH]c1 ZINC000453266209 533881516 /nfs/dbraw/zinc/88/15/16/533881516.db2.gz ODAREWGSTQTHND-AAEUAGOBSA-N 2 2 252.362 0.907 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1cn[nH]c1 ZINC000453266209 533881524 /nfs/dbraw/zinc/88/15/24/533881524.db2.gz ODAREWGSTQTHND-AAEUAGOBSA-N 2 2 252.362 0.907 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000358214973 533904927 /nfs/dbraw/zinc/90/49/27/533904927.db2.gz GAHYEUUUTZPLAL-GXTWGEPZSA-N 2 2 297.424 0.505 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000358214973 533904934 /nfs/dbraw/zinc/90/49/34/533904934.db2.gz GAHYEUUUTZPLAL-GXTWGEPZSA-N 2 2 297.424 0.505 20 0 CCADLP COCC(COC)[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000448549201 545096482 /nfs/dbraw/zinc/09/64/82/545096482.db2.gz LUAJDOVTUSQMDL-UHFFFAOYSA-N 2 2 294.399 0.877 20 0 CCADLP C[C@H](C[NH3+])CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000418476646 534041268 /nfs/dbraw/zinc/04/12/68/534041268.db2.gz SXQJTOKTTIYFHV-DGCLKSJQSA-N 2 2 278.356 0.839 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000415047245 534140535 /nfs/dbraw/zinc/14/05/35/534140535.db2.gz VWZQQXPYRTWVFF-AWEZNQCLSA-N 2 2 278.352 0.941 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000377635542 519680206 /nfs/dbraw/zinc/68/02/06/519680206.db2.gz WGBXRINCPPKTOH-CQSZACIVSA-N 2 2 283.416 0.648 20 0 CCADLP Cc1c[nH+]c(CN2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)n1C ZINC000418121693 534551950 /nfs/dbraw/zinc/55/19/50/534551950.db2.gz XKHPVKYZSFQTLU-OLZOCXBDSA-N 2 2 266.389 0.615 20 0 CCADLP Cc1c[nH+]c(CN2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)n1C ZINC000418121693 534551953 /nfs/dbraw/zinc/55/19/53/534551953.db2.gz XKHPVKYZSFQTLU-OLZOCXBDSA-N 2 2 266.389 0.615 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000353434308 521703997 /nfs/dbraw/zinc/70/39/97/521703997.db2.gz RHVSEUYOHPKDSZ-SNVBAGLBSA-N 2 2 252.318 0.089 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000353434308 521704001 /nfs/dbraw/zinc/70/40/01/521704001.db2.gz RHVSEUYOHPKDSZ-SNVBAGLBSA-N 2 2 252.318 0.089 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[NH+](CCOC)CC1 ZINC000155615420 521942411 /nfs/dbraw/zinc/94/24/11/521942411.db2.gz AXXPOCQWNHERNZ-RYUDHWBXSA-N 2 2 257.378 0.150 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCCF)C2)CC1 ZINC000366355755 523771434 /nfs/dbraw/zinc/77/14/34/523771434.db2.gz SJYHXHPVJGUXTE-GFCCVEGCSA-N 2 2 286.395 0.814 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCCF)C2)CC1 ZINC000366355755 523771438 /nfs/dbraw/zinc/77/14/38/523771438.db2.gz SJYHXHPVJGUXTE-GFCCVEGCSA-N 2 2 286.395 0.814 20 0 CCADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000354089820 524398661 /nfs/dbraw/zinc/39/86/61/524398661.db2.gz GEUUCTASLINOKQ-STQMWFEESA-N 2 2 285.432 0.942 20 0 CCADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000354089820 524398668 /nfs/dbraw/zinc/39/86/68/524398668.db2.gz GEUUCTASLINOKQ-STQMWFEESA-N 2 2 285.432 0.942 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000049154578 524958337 /nfs/dbraw/zinc/95/83/37/524958337.db2.gz IQCGDJHLZSTFNK-NWDGAFQWSA-N 2 2 265.361 0.665 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000049154578 524958346 /nfs/dbraw/zinc/95/83/46/524958346.db2.gz IQCGDJHLZSTFNK-NWDGAFQWSA-N 2 2 265.361 0.665 20 0 CCADLP OCCC[N@@H+]1CCC[C@H]1CNc1nc[nH+]c2c1OCCN2 ZINC000665721241 545105515 /nfs/dbraw/zinc/10/55/15/545105515.db2.gz AFKOWQNPZWRWJT-NSHDSACASA-N 2 2 293.371 0.540 20 0 CCADLP OCCC[N@H+]1CCC[C@H]1CNc1nc[nH+]c2c1OCCN2 ZINC000665721241 545105516 /nfs/dbraw/zinc/10/55/16/545105516.db2.gz AFKOWQNPZWRWJT-NSHDSACASA-N 2 2 293.371 0.540 20 0 CCADLP CC(C)(C[NH3+])C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000423801148 527069681 /nfs/dbraw/zinc/06/96/81/527069681.db2.gz MVCPPECIBJJPMC-LLVKDONJSA-N 2 2 262.357 0.761 20 0 CCADLP COc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cn1 ZINC000666804547 545131497 /nfs/dbraw/zinc/13/14/97/545131497.db2.gz SIJAZXBQLRYQAC-LLVKDONJSA-N 2 2 279.344 0.197 20 0 CCADLP COc1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cn1 ZINC000666804547 545131498 /nfs/dbraw/zinc/13/14/98/545131498.db2.gz SIJAZXBQLRYQAC-LLVKDONJSA-N 2 2 279.344 0.197 20 0 CCADLP Cc1ncc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cn1 ZINC000340403163 527270355 /nfs/dbraw/zinc/27/03/55/527270355.db2.gz LIKNZHDJQZLNPK-CYBMUJFWSA-N 2 2 250.346 0.331 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667462675 545148304 /nfs/dbraw/zinc/14/83/04/545148304.db2.gz QHMLYOLNMZBPRZ-GFCCVEGCSA-N 2 2 285.351 0.965 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667462675 545148305 /nfs/dbraw/zinc/14/83/05/545148305.db2.gz QHMLYOLNMZBPRZ-GFCCVEGCSA-N 2 2 285.351 0.965 20 0 CCADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)n1C ZINC000667535043 545149246 /nfs/dbraw/zinc/14/92/46/545149246.db2.gz WOSGXVOCFKNWJC-LBPRGKRZSA-N 2 2 277.372 0.718 20 0 CCADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H](N3CCNC3=O)C2)n1C ZINC000667535043 545149247 /nfs/dbraw/zinc/14/92/47/545149247.db2.gz WOSGXVOCFKNWJC-LBPRGKRZSA-N 2 2 277.372 0.718 20 0 CCADLP Cc1[nH+]cc(C[N@@H+](C)C[C@H](O)COCCOC(C)C)n1C ZINC000667555030 545149445 /nfs/dbraw/zinc/14/94/45/545149445.db2.gz OCBRPKMTAVLEDK-HNNXBMFYSA-N 2 2 299.415 0.963 20 0 CCADLP Cc1[nH+]cc(C[N@H+](C)C[C@H](O)COCCOC(C)C)n1C ZINC000667555030 545149446 /nfs/dbraw/zinc/14/94/46/545149446.db2.gz OCBRPKMTAVLEDK-HNNXBMFYSA-N 2 2 299.415 0.963 20 0 CCADLP CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000667952206 545159185 /nfs/dbraw/zinc/15/91/85/545159185.db2.gz ROPDJCSWOXEGAJ-LBPRGKRZSA-N 2 2 286.401 0.242 20 0 CCADLP CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000667952206 545159186 /nfs/dbraw/zinc/15/91/86/545159186.db2.gz ROPDJCSWOXEGAJ-LBPRGKRZSA-N 2 2 286.401 0.242 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCC(OCCO)CC1 ZINC000160681489 527424195 /nfs/dbraw/zinc/42/41/95/527424195.db2.gz TZEZAQSPQCEJBU-UHFFFAOYSA-N 2 2 253.346 0.665 20 0 CCADLP CO[C@@H]1C[N@H+](Cc2c[nH+]c3n2CCC3)C[C@@H]1OC ZINC000668057857 545162363 /nfs/dbraw/zinc/16/23/63/545162363.db2.gz ZYNZKKBVZKPACE-TXEJJXNPSA-N 2 2 251.330 0.675 20 0 CCADLP CO[C@@H]1C[N@@H+](Cc2c[nH+]c3n2CCC3)C[C@@H]1OC ZINC000668057857 545162364 /nfs/dbraw/zinc/16/23/64/545162364.db2.gz ZYNZKKBVZKPACE-TXEJJXNPSA-N 2 2 251.330 0.675 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000668437014 545177278 /nfs/dbraw/zinc/17/72/78/545177278.db2.gz 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ZINC000451134388 527885105 /nfs/dbraw/zinc/88/51/05/527885105.db2.gz LDQMVXXSMKNGCB-ZDUSSCGKSA-N 2 2 293.367 0.785 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@H]1CCCC[NH2+]C1 ZINC000423556748 527905644 /nfs/dbraw/zinc/90/56/44/527905644.db2.gz MNGFIJJEISENIT-SDDRHHMPSA-N 2 2 255.362 0.012 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C2CCN(C(=O)CCOC)CC2)C1 ZINC000358292123 527933025 /nfs/dbraw/zinc/93/30/25/527933025.db2.gz GZHTVMAVWCPVMZ-HIFRSBDPSA-N 2 2 297.443 0.944 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]C2CCN(C(=O)CCOC)CC2)C1 ZINC000358292123 527933030 /nfs/dbraw/zinc/93/30/30/527933030.db2.gz GZHTVMAVWCPVMZ-HIFRSBDPSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)OC[C@@H](CO)[N@H+](C)Cc1c[nH+]c(N(C)C)n1C ZINC000425377771 528009054 /nfs/dbraw/zinc/00/90/54/528009054.db2.gz ICNZOOXHFSTCTB-CYBMUJFWSA-N 2 2 284.404 0.704 20 0 CCADLP CC(C)OC[C@@H](CO)[N@@H+](C)Cc1c[nH+]c(N(C)C)n1C ZINC000425377771 528009057 /nfs/dbraw/zinc/00/90/57/528009057.db2.gz ICNZOOXHFSTCTB-CYBMUJFWSA-N 2 2 284.404 0.704 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420360369 528167099 /nfs/dbraw/zinc/16/70/99/528167099.db2.gz LYPWQTRSNZBNHE-ZYHUDNBSSA-N 2 2 284.404 0.718 20 0 CCADLP C[C@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccncc1 ZINC000669519165 545212192 /nfs/dbraw/zinc/21/21/92/545212192.db2.gz WFXCALVLBBBVHF-TZMCWYRMSA-N 2 2 291.399 0.469 20 0 CCADLP C[C@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccncc1 ZINC000669519165 545212193 /nfs/dbraw/zinc/21/21/93/545212193.db2.gz WFXCALVLBBBVHF-TZMCWYRMSA-N 2 2 291.399 0.469 20 0 CCADLP [NH3+]C[C@@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CC1 ZINC000669542850 545213937 /nfs/dbraw/zinc/21/39/37/545213937.db2.gz NUYLKNHVIHXMHP-CHWSQXEVSA-N 2 2 289.383 0.697 20 0 CCADLP CC[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])[C@@H]1CCCO1 ZINC000669545139 545214117 /nfs/dbraw/zinc/21/41/17/545214117.db2.gz ZQPBWOWUWKHSKC-AGIUHOORSA-N 2 2 284.404 0.228 20 0 CCADLP CC[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])[C@@H]1CCCO1 ZINC000669545139 545214118 /nfs/dbraw/zinc/21/41/18/545214118.db2.gz ZQPBWOWUWKHSKC-AGIUHOORSA-N 2 2 284.404 0.228 20 0 CCADLP CC[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])[C@@H]1CCCO1 ZINC000669545140 545214274 /nfs/dbraw/zinc/21/42/74/545214274.db2.gz ZQPBWOWUWKHSKC-AVGNSLFASA-N 2 2 284.404 0.228 20 0 CCADLP CC[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])[C@@H]1CCCO1 ZINC000669545140 545214275 /nfs/dbraw/zinc/21/42/75/545214275.db2.gz ZQPBWOWUWKHSKC-AVGNSLFASA-N 2 2 284.404 0.228 20 0 CCADLP C[C@@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C(F)(F)F ZINC000669563922 545214861 /nfs/dbraw/zinc/21/48/61/545214861.db2.gz CCLVYHHOKWTMMO-IUCAKERBSA-N 2 2 282.310 0.469 20 0 CCADLP C[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C(F)(F)F ZINC000669563922 545214862 /nfs/dbraw/zinc/21/48/62/545214862.db2.gz CCLVYHHOKWTMMO-IUCAKERBSA-N 2 2 282.310 0.469 20 0 CCADLP CC(C)[C@@H](C(=O)N(C)CC[NH+]1CCOCC1)[C@@H](C)[NH3+] ZINC000423753764 528349466 /nfs/dbraw/zinc/34/94/66/528349466.db2.gz XYAUNKMFOAKSQI-CHWSQXEVSA-N 2 2 271.405 0.396 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000423783044 528461554 /nfs/dbraw/zinc/46/15/54/528461554.db2.gz NAVUTULERWSRTA-HNNXBMFYSA-N 2 2 291.399 0.951 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000423616322 528478721 /nfs/dbraw/zinc/47/87/21/528478721.db2.gz RWTWCLUMEDEQDS-HZSPNIEDSA-N 2 2 283.416 0.744 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000423616322 528478726 /nfs/dbraw/zinc/47/87/26/528478726.db2.gz RWTWCLUMEDEQDS-HZSPNIEDSA-N 2 2 283.416 0.744 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC1=CC[NH2+]CC1 ZINC000423563969 528482909 /nfs/dbraw/zinc/48/29/09/528482909.db2.gz XOEMVRARIZBYCS-AWEZNQCLSA-N 2 2 281.400 0.523 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC1=CC[NH2+]CC1 ZINC000423563969 528482913 /nfs/dbraw/zinc/48/29/13/528482913.db2.gz XOEMVRARIZBYCS-AWEZNQCLSA-N 2 2 281.400 0.523 20 0 CCADLP CCC[NH2+]CCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000418111508 528492568 /nfs/dbraw/zinc/49/25/68/528492568.db2.gz HCIKNDMMEBNGSX-UHFFFAOYSA-N 2 2 284.404 0.150 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000418212793 528523191 /nfs/dbraw/zinc/52/31/91/528523191.db2.gz LYHQSXWTUDITRB-STQMWFEESA-N 2 2 284.404 0.132 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000418212793 528523193 /nfs/dbraw/zinc/52/31/93/528523193.db2.gz LYHQSXWTUDITRB-STQMWFEESA-N 2 2 284.404 0.132 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000449149964 528538541 /nfs/dbraw/zinc/53/85/41/528538541.db2.gz YGCQUARRUFIKTB-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP CC(C)NC(=O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670985343 545240795 /nfs/dbraw/zinc/24/07/95/545240795.db2.gz QIPKXKAWGCSITI-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP CC(C)NC(=O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670985343 545240796 /nfs/dbraw/zinc/24/07/96/545240796.db2.gz QIPKXKAWGCSITI-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP CC(C)Cn1cc(C[NH2+]C[C@H]2C[NH2+]CCN2C)cn1 ZINC000414971598 528710097 /nfs/dbraw/zinc/71/00/97/528710097.db2.gz WPMNXGMYHJHSGZ-CQSZACIVSA-N 2 2 265.405 0.532 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@@H](C)C[NH3+] ZINC000417744874 528728771 /nfs/dbraw/zinc/72/87/71/528728771.db2.gz ZDOZISBDCFUKQM-NSHDSACASA-N 2 2 267.377 0.933 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@H](C)[NH2+]C2CC2)CC1 ZINC000449119683 528744481 /nfs/dbraw/zinc/74/44/81/528744481.db2.gz AMKNBLYPXKDSJS-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP C[N@H+](CC(=O)N[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CCSC1 ZINC000672153173 545263469 /nfs/dbraw/zinc/26/34/69/545263469.db2.gz SXPULEUOIPMXQX-DGCLKSJQSA-N 2 2 294.424 0.751 20 0 CCADLP C[N@@H+](CC(=O)N[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CCSC1 ZINC000672153173 545263470 /nfs/dbraw/zinc/26/34/70/545263470.db2.gz SXPULEUOIPMXQX-DGCLKSJQSA-N 2 2 294.424 0.751 20 0 CCADLP CC(C)[C@H](C(=O)N(C)CC[NH+]1CCOCC1)[C@@H](C)[NH3+] ZINC000423753765 528909323 /nfs/dbraw/zinc/90/93/23/528909323.db2.gz XYAUNKMFOAKSQI-OLZOCXBDSA-N 2 2 271.405 0.396 20 0 CCADLP CCCC[C@H](C[NH3+])NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000418216466 528944023 /nfs/dbraw/zinc/94/40/23/528944023.db2.gz ONQZHLPMEZZWTC-OCCSQVGLSA-N 2 2 298.431 0.666 20 0 CCADLP CCCC[C@H](C[NH3+])NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000418216466 528944028 /nfs/dbraw/zinc/94/40/28/528944028.db2.gz ONQZHLPMEZZWTC-OCCSQVGLSA-N 2 2 298.431 0.666 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](F)C2)CC1 ZINC000451196773 528978111 /nfs/dbraw/zinc/97/81/11/528978111.db2.gz ZLLIZKGODATCNG-LLVKDONJSA-N 2 2 257.353 0.631 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](F)C2)CC1 ZINC000451196773 528978116 /nfs/dbraw/zinc/97/81/16/528978116.db2.gz ZLLIZKGODATCNG-LLVKDONJSA-N 2 2 257.353 0.631 20 0 CCADLP CC[NH+]1CCC([NH2+][C@@H]2CCCN(CCCO)C2)CC1 ZINC000449397344 528988252 /nfs/dbraw/zinc/98/82/52/528988252.db2.gz PNSCMPRGUVSNJG-OAHLLOKOSA-N 2 2 269.433 0.907 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000422846883 529127054 /nfs/dbraw/zinc/12/70/54/529127054.db2.gz QPJURLSSZBAUGO-CHWSQXEVSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000422846883 529127056 /nfs/dbraw/zinc/12/70/56/529127056.db2.gz QPJURLSSZBAUGO-CHWSQXEVSA-N 2 2 298.431 0.029 20 0 CCADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000456357308 529289386 /nfs/dbraw/zinc/28/93/86/529289386.db2.gz SCCPVBGTVVCQEK-CABCVRRESA-N 2 2 296.459 0.565 20 0 CCADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000456357308 529289390 /nfs/dbraw/zinc/28/93/90/529289390.db2.gz SCCPVBGTVVCQEK-CABCVRRESA-N 2 2 296.459 0.565 20 0 CCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+](C)C ZINC000674243912 545301151 /nfs/dbraw/zinc/30/11/51/545301151.db2.gz ZDZQBEOPUYAGIV-LBPRGKRZSA-N 2 2 262.357 0.680 20 0 CCADLP CC(C)[C@H](C)NC(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261769708 534960856 /nfs/dbraw/zinc/96/08/56/534960856.db2.gz OPEMMVOJCOASMU-UONOGXRCSA-N 2 2 282.432 0.127 20 0 CCADLP C[C@@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[NH+](C)C ZINC000674264823 545302053 /nfs/dbraw/zinc/30/20/53/545302053.db2.gz LHNOWQMLGBQNGJ-ZDUSSCGKSA-N 3 2 284.448 0.421 20 0 CCADLP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+](C)C ZINC000674289961 545302991 /nfs/dbraw/zinc/30/29/91/545302991.db2.gz YPOXCCICDFMJGI-DZGCQCFKSA-N 3 2 296.459 0.563 20 0 CCADLP C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+](C)C ZINC000674289961 545302992 /nfs/dbraw/zinc/30/29/92/545302992.db2.gz YPOXCCICDFMJGI-DZGCQCFKSA-N 3 2 296.459 0.563 20 0 CCADLP CCCNC(=O)[C@H]1CCC[N@H+](Cc2noc(C[NH3+])n2)C1 ZINC000262301170 535121608 /nfs/dbraw/zinc/12/16/08/535121608.db2.gz XNVVOQCYHREEOQ-JTQLQIEISA-N 2 2 281.360 0.267 20 0 CCADLP CCCNC(=O)[C@H]1CCC[N@@H+](Cc2noc(C[NH3+])n2)C1 ZINC000262301170 535121612 /nfs/dbraw/zinc/12/16/12/535121612.db2.gz XNVVOQCYHREEOQ-JTQLQIEISA-N 2 2 281.360 0.267 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@@H+]1CCOC[C@@H]1C)[NH+](C)C ZINC000348820160 535134135 /nfs/dbraw/zinc/13/41/35/535134135.db2.gz WKEYIXZKCKYZEU-STQMWFEESA-N 2 2 271.405 0.410 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@H+]1CCOC[C@@H]1C)[NH+](C)C ZINC000348820160 535134138 /nfs/dbraw/zinc/13/41/38/535134138.db2.gz WKEYIXZKCKYZEU-STQMWFEESA-N 2 2 271.405 0.410 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000347713082 535191264 /nfs/dbraw/zinc/19/12/64/535191264.db2.gz DBTVBVHMAXFJJR-CQSZACIVSA-N 2 2 283.416 0.507 20 0 CCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000368448617 535217194 /nfs/dbraw/zinc/21/71/94/535217194.db2.gz CLLMFAYGMBBWNB-HNNXBMFYSA-N 2 2 295.427 0.650 20 0 CCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000368448617 535217211 /nfs/dbraw/zinc/21/72/11/535217211.db2.gz CLLMFAYGMBBWNB-HNNXBMFYSA-N 2 2 295.427 0.650 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000347388833 535247784 /nfs/dbraw/zinc/24/77/84/535247784.db2.gz ZSIABQXMWXIEGQ-UHFFFAOYSA-N 2 2 285.432 0.897 20 0 CCADLP C[NH+]1CCC(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000676389543 545342735 /nfs/dbraw/zinc/34/27/35/545342735.db2.gz MEJDNKWWEYJTNH-CQSZACIVSA-N 2 2 281.400 0.261 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000357085097 535637502 /nfs/dbraw/zinc/63/75/02/535637502.db2.gz QIQPPLCRHHHQJU-SOUVJXGZSA-N 3 2 294.443 0.080 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000357085097 535637505 /nfs/dbraw/zinc/63/75/05/535637505.db2.gz QIQPPLCRHHHQJU-SOUVJXGZSA-N 3 2 294.443 0.080 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2nncn2C)CC1 ZINC000358803672 535640134 /nfs/dbraw/zinc/64/01/34/535640134.db2.gz FXMJVVUGWHGFEM-NEPJUHHUSA-N 2 2 294.403 0.018 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@H]1C[N@H+](C)CCO1 ZINC000676844399 545353827 /nfs/dbraw/zinc/35/38/27/545353827.db2.gz IYLMKTIUJZORQF-OUCADQQQSA-N 2 2 292.383 0.281 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@H]1C[N@@H+](C)CCO1 ZINC000676844399 545353828 /nfs/dbraw/zinc/35/38/28/545353828.db2.gz IYLMKTIUJZORQF-OUCADQQQSA-N 2 2 292.383 0.281 20 0 CCADLP CCC[C@H]1C[NH2+]CCN1C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000359203861 535743786 /nfs/dbraw/zinc/74/37/86/535743786.db2.gz CYWRQTXQVQVOIH-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@@H]1C ZINC000677185493 545360119 /nfs/dbraw/zinc/36/01/19/545360119.db2.gz ZPGDOWDLUDHUNH-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@@H]1C ZINC000677185493 545360120 /nfs/dbraw/zinc/36/01/20/545360120.db2.gz ZPGDOWDLUDHUNH-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](CC)[C@@H](C)C2)C1 ZINC000677185493 545360121 /nfs/dbraw/zinc/36/01/21/545360121.db2.gz ZPGDOWDLUDHUNH-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](CC)[C@@H](C)C2)C1 ZINC000677185493 545360122 /nfs/dbraw/zinc/36/01/22/545360122.db2.gz ZPGDOWDLUDHUNH-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CN(C)C(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000357780104 536074886 /nfs/dbraw/zinc/07/48/86/536074886.db2.gz LWEOLSCBRSJIFW-CYBMUJFWSA-N 2 2 269.389 0.119 20 0 CCADLP CN(C)C(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000357780104 536074894 /nfs/dbraw/zinc/07/48/94/536074894.db2.gz LWEOLSCBRSJIFW-CYBMUJFWSA-N 2 2 269.389 0.119 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000678082214 545384298 /nfs/dbraw/zinc/38/42/98/545384298.db2.gz JWMJHLJIJYEDEX-ZFWWWQNUSA-N 2 2 295.427 0.827 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000678082214 545384299 /nfs/dbraw/zinc/38/42/99/545384299.db2.gz JWMJHLJIJYEDEX-ZFWWWQNUSA-N 2 2 295.427 0.827 20 0 CCADLP CC[N@@H+]1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)C[C@@H]1C ZINC000678480399 545392290 /nfs/dbraw/zinc/39/22/90/545392290.db2.gz OVUCJWNMMWIREC-NSHDSACASA-N 2 2 287.371 0.775 20 0 CCADLP CC[N@H+]1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)C[C@@H]1C ZINC000678480399 545392291 /nfs/dbraw/zinc/39/22/91/545392291.db2.gz OVUCJWNMMWIREC-NSHDSACASA-N 2 2 287.371 0.775 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C(F)F)C2)CC1 ZINC000678531176 545393817 /nfs/dbraw/zinc/39/38/17/545393817.db2.gz AUPDIVHXGFVISK-SNVBAGLBSA-N 2 2 261.316 0.347 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C(F)F)C2)CC1 ZINC000678531176 545393818 /nfs/dbraw/zinc/39/38/18/545393818.db2.gz AUPDIVHXGFVISK-SNVBAGLBSA-N 2 2 261.316 0.347 20 0 CCADLP C[N@H+](CCOC(C)(C)C)CC(=O)N1CC[NH+](C)CC1 ZINC000678521617 545393886 /nfs/dbraw/zinc/39/38/86/545393886.db2.gz YLJLRFPOSPNDDO-UHFFFAOYSA-N 2 2 271.405 0.507 20 0 CCADLP C[N@@H+](CCOC(C)(C)C)CC(=O)N1CC[NH+](C)CC1 ZINC000678521617 545393887 /nfs/dbraw/zinc/39/38/87/545393887.db2.gz YLJLRFPOSPNDDO-UHFFFAOYSA-N 2 2 271.405 0.507 20 0 CCADLP C[C@H](NC(=O)N(C)Cc1[nH+]ccn1C)[C@H]1C[N@H+](C)CCO1 ZINC000678781567 545397371 /nfs/dbraw/zinc/39/73/71/545397371.db2.gz KFSQNEBRFQIADB-NWDGAFQWSA-N 2 2 295.387 0.281 20 0 CCADLP C[C@H](NC(=O)N(C)Cc1[nH+]ccn1C)[C@H]1C[N@@H+](C)CCO1 ZINC000678781567 545397372 /nfs/dbraw/zinc/39/73/72/545397372.db2.gz KFSQNEBRFQIADB-NWDGAFQWSA-N 2 2 295.387 0.281 20 0 CCADLP C[NH2+][C@H](C)CNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000261863861 536401228 /nfs/dbraw/zinc/40/12/28/536401228.db2.gz YVYYFUWJAPWCGX-CYBMUJFWSA-N 2 2 291.395 0.857 20 0 CCADLP CNC(=O)c1ccc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C[NH3+])cc1 ZINC000359047839 536423292 /nfs/dbraw/zinc/42/32/92/536423292.db2.gz UUTYMGVSEXJNCF-HUUCEWRRSA-N 2 2 291.395 0.984 20 0 CCADLP CNC(=O)c1ccc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C[NH3+])cc1 ZINC000359047839 536423294 /nfs/dbraw/zinc/42/32/94/536423294.db2.gz UUTYMGVSEXJNCF-HUUCEWRRSA-N 2 2 291.395 0.984 20 0 CCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C1CSC1 ZINC000679625657 545412588 /nfs/dbraw/zinc/41/25/88/545412588.db2.gz JJJGLERHOPHKAY-GFCCVEGCSA-N 2 2 271.430 0.634 20 0 CCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C1CSC1 ZINC000679625657 545412589 /nfs/dbraw/zinc/41/25/89/545412589.db2.gz JJJGLERHOPHKAY-GFCCVEGCSA-N 2 2 271.430 0.634 20 0 CCADLP COC(=O)c1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)[nH]1 ZINC000427128215 536674570 /nfs/dbraw/zinc/67/45/70/536674570.db2.gz KAWKUWNPGIQORQ-CMPLNLGQSA-N 2 2 263.341 0.985 20 0 CCADLP COC(=O)c1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)[nH]1 ZINC000427128215 536674574 /nfs/dbraw/zinc/67/45/74/536674574.db2.gz KAWKUWNPGIQORQ-CMPLNLGQSA-N 2 2 263.341 0.985 20 0 CCADLP Cc1csc([C@H](C)[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)n1 ZINC000680417249 545427769 /nfs/dbraw/zinc/42/77/69/545427769.db2.gz MGPXNHAIQNQVOO-QWHCGFSZSA-N 2 2 298.456 0.710 20 0 CCADLP COCCn1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000357116974 536843585 /nfs/dbraw/zinc/84/35/85/536843585.db2.gz CIVIOOWVJYDGMZ-UONOGXRCSA-N 2 2 264.373 0.571 20 0 CCADLP COCCn1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000357116974 536843588 /nfs/dbraw/zinc/84/35/88/536843588.db2.gz CIVIOOWVJYDGMZ-UONOGXRCSA-N 2 2 264.373 0.571 20 0 CCADLP CNC(=O)C1C[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000681023103 545439924 /nfs/dbraw/zinc/43/99/24/545439924.db2.gz HNZCXXMAJCZRPF-HNNXBMFYSA-N 2 2 291.395 0.157 20 0 CCADLP CNC(=O)C1C[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000681023103 545439925 /nfs/dbraw/zinc/43/99/25/545439925.db2.gz HNZCXXMAJCZRPF-HNNXBMFYSA-N 2 2 291.395 0.157 20 0 CCADLP COC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)C1CCOCC1 ZINC000682138210 545473374 /nfs/dbraw/zinc/47/33/74/545473374.db2.gz JLJVJYSDPCJFGP-YUTCNCBUSA-N 2 2 256.390 0.968 20 0 CCADLP COC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)C1CCOCC1 ZINC000682138210 545473375 /nfs/dbraw/zinc/47/33/75/545473375.db2.gz JLJVJYSDPCJFGP-YUTCNCBUSA-N 2 2 256.390 0.968 20 0 CCADLP C[NH+]1CCC(O)(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000682507008 545481212 /nfs/dbraw/zinc/48/12/12/545481212.db2.gz JIAMVLRICXYNAW-LBPRGKRZSA-N 2 2 292.383 0.018 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2scnc2C2CC2)CC1 ZINC000683767413 545562553 /nfs/dbraw/zinc/56/25/53/545562553.db2.gz RTNXTPDIZHOOFG-UHFFFAOYSA-N 2 2 294.424 0.884 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000683659209 545556215 /nfs/dbraw/zinc/55/62/15/545556215.db2.gz NKXXJBGSJSDXKM-ZNMIVQPWSA-N 2 2 297.399 0.932 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000683659209 545556219 /nfs/dbraw/zinc/55/62/19/545556219.db2.gz NKXXJBGSJSDXKM-ZNMIVQPWSA-N 2 2 297.399 0.932 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000683919740 545585456 /nfs/dbraw/zinc/58/54/56/545585456.db2.gz LYLJESHPCHVNDL-GFCCVEGCSA-N 2 2 294.399 0.602 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC000962296272 649897656 /nfs/dbraw/zinc/89/76/56/649897656.db2.gz VTSUINUKVPAVJJ-NHAGDIPZSA-N 2 2 274.368 0.419 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC000962296272 649897657 /nfs/dbraw/zinc/89/76/57/649897657.db2.gz VTSUINUKVPAVJJ-NHAGDIPZSA-N 2 2 274.368 0.419 20 0 CCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@H]1CC1(C)C ZINC000397684549 581179777 /nfs/dbraw/zinc/17/97/77/581179777.db2.gz MXEJGEKWXJWLKQ-VXGBXAGGSA-N 2 2 253.390 0.785 20 0 CCADLP C[C@@H]1OCC[C@]12C[N@H+](C[C@H](O)C[NH+]1CCCC1)C[C@@H](C)O2 ZINC000790365521 581185284 /nfs/dbraw/zinc/18/52/84/581185284.db2.gz BRQDTLXHTGPQBW-QXSJWSMHSA-N 2 2 298.427 0.711 20 0 CCADLP C[C@@H]1OCC[C@]12C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C[C@@H](C)O2 ZINC000790365521 581185286 /nfs/dbraw/zinc/18/52/86/581185286.db2.gz BRQDTLXHTGPQBW-QXSJWSMHSA-N 2 2 298.427 0.711 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)NC2CC[NH+](C)CC2)CCO1 ZINC000726258506 581234804 /nfs/dbraw/zinc/23/48/04/581234804.db2.gz WIHJIZPPJHSESO-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH+](C)CC2)CCO1 ZINC000726258506 581234806 /nfs/dbraw/zinc/23/48/06/581234806.db2.gz WIHJIZPPJHSESO-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)CC[N@@H+]1C ZINC000793572383 581303659 /nfs/dbraw/zinc/30/36/59/581303659.db2.gz KBYWGYCEOGADEG-UKRRQHHQSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)CC[N@H+]1C ZINC000793572383 581303661 /nfs/dbraw/zinc/30/36/61/581303661.db2.gz KBYWGYCEOGADEG-UKRRQHHQSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC[NH+]1C ZINC000793572383 581303663 /nfs/dbraw/zinc/30/36/63/581303663.db2.gz KBYWGYCEOGADEG-UKRRQHHQSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC[NH+]1C ZINC000793572383 581303664 /nfs/dbraw/zinc/30/36/64/581303664.db2.gz KBYWGYCEOGADEG-UKRRQHHQSA-N 2 2 295.427 0.792 20 0 CCADLP COc1c[nH+]ccc1N1CC[NH+](Cn2cnnc2)CC1 ZINC000794698602 581384388 /nfs/dbraw/zinc/38/43/88/581384388.db2.gz HIUYPBAPXADYCE-UHFFFAOYSA-N 2 2 274.328 0.461 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@]2(CCOC2)O1 ZINC000796560098 581443634 /nfs/dbraw/zinc/44/36/34/581443634.db2.gz MSEXGMKEVKFHQG-ILXRZTDVSA-N 2 2 284.400 0.323 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@]2(CCOC2)O1 ZINC000796560098 581443635 /nfs/dbraw/zinc/44/36/35/581443635.db2.gz MSEXGMKEVKFHQG-ILXRZTDVSA-N 2 2 284.400 0.323 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000786672689 581447228 /nfs/dbraw/zinc/44/72/28/581447228.db2.gz UVEHSTZHFAOKBP-UHFFFAOYSA-N 2 2 297.443 0.505 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000786672689 581447230 /nfs/dbraw/zinc/44/72/30/581447230.db2.gz UVEHSTZHFAOKBP-UHFFFAOYSA-N 2 2 297.443 0.505 20 0 CCADLP C(C[NH+]1CCC([N@@H+]2CCCOCC2)CC1)N1CCOCC1 ZINC000786672689 581447232 /nfs/dbraw/zinc/44/72/32/581447232.db2.gz UVEHSTZHFAOKBP-UHFFFAOYSA-N 2 2 297.443 0.505 20 0 CCADLP C(C[NH+]1CCC([N@H+]2CCCOCC2)CC1)N1CCOCC1 ZINC000786672689 581447234 /nfs/dbraw/zinc/44/72/34/581447234.db2.gz UVEHSTZHFAOKBP-UHFFFAOYSA-N 2 2 297.443 0.505 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[N@@H+]1C ZINC000787059364 581456705 /nfs/dbraw/zinc/45/67/05/581456705.db2.gz FWARQSGHAZFTCM-NWDGAFQWSA-N 2 2 262.357 0.608 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[N@H+]1C ZINC000787059364 581456707 /nfs/dbraw/zinc/45/67/07/581456707.db2.gz FWARQSGHAZFTCM-NWDGAFQWSA-N 2 2 262.357 0.608 20 0 CCADLP c1cc(N2CCCC2)nc(N2CC[N@@H+]3CCOC[C@H]3C2)[nH+]1 ZINC000754081715 581574605 /nfs/dbraw/zinc/57/46/05/581574605.db2.gz NZWGBTLFMVABGI-CYBMUJFWSA-N 2 2 289.383 0.598 20 0 CCADLP c1cc(N2CCCC2)nc(N2CC[N@H+]3CCOC[C@H]3C2)[nH+]1 ZINC000754081715 581574608 /nfs/dbraw/zinc/57/46/08/581574608.db2.gz NZWGBTLFMVABGI-CYBMUJFWSA-N 2 2 289.383 0.598 20 0 CCADLP CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@H](O)C[NH+]3CCCC3)[C@H]2C1 ZINC000755052168 581623682 /nfs/dbraw/zinc/62/36/82/581623682.db2.gz AVTTZFODZOXKFG-WCVJEAGWSA-N 2 2 298.427 0.711 20 0 CCADLP CO[C@@H]1CC[C@@H]2OCC[N@@H+](C[C@H](O)C[NH+]3CCCC3)[C@H]2C1 ZINC000755052168 581623685 /nfs/dbraw/zinc/62/36/85/581623685.db2.gz AVTTZFODZOXKFG-WCVJEAGWSA-N 2 2 298.427 0.711 20 0 CCADLP COC(=O)N1CCC[C@H]([NH2+][C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000756112577 581656713 /nfs/dbraw/zinc/65/67/13/581656713.db2.gz DBMFNYPEAGEBNP-SRVKXCTJSA-N 2 2 255.362 0.757 20 0 CCADLP COC(=O)N1CCC[C@H]([NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000756112577 581656715 /nfs/dbraw/zinc/65/67/15/581656715.db2.gz DBMFNYPEAGEBNP-SRVKXCTJSA-N 2 2 255.362 0.757 20 0 CCADLP CN(C)c1cc[nH+]c(NCCN2CC[NH+](C)CC2)n1 ZINC000770446915 581744073 /nfs/dbraw/zinc/74/40/73/581744073.db2.gz IAOXDIAVFVZAQF-UHFFFAOYSA-N 2 2 264.377 0.202 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000743857177 581827856 /nfs/dbraw/zinc/82/78/56/581827856.db2.gz OILUNLYEHUAUQJ-HOTGVXAUSA-N 2 2 297.443 0.240 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000743857177 581827858 /nfs/dbraw/zinc/82/78/58/581827858.db2.gz OILUNLYEHUAUQJ-HOTGVXAUSA-N 2 2 297.443 0.240 20 0 CCADLP O[C@H](CN1CCC[C@H]1C[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000743857177 581827859 /nfs/dbraw/zinc/82/78/59/581827859.db2.gz OILUNLYEHUAUQJ-HOTGVXAUSA-N 2 2 297.443 0.240 20 0 CCADLP C[C@@H]1C[NH+]=C(N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)S1 ZINC000744609185 581845606 /nfs/dbraw/zinc/84/56/06/581845606.db2.gz WGQWVGRMWQFOJV-NEPJUHHUSA-N 2 2 296.440 0.574 20 0 CCADLP C[C@@H]1C[NH+]=C(N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)S1 ZINC000744609185 581845610 /nfs/dbraw/zinc/84/56/10/581845610.db2.gz WGQWVGRMWQFOJV-NEPJUHHUSA-N 2 2 296.440 0.574 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H]1CCCCNC1=O ZINC000772746633 581888451 /nfs/dbraw/zinc/88/84/51/581888451.db2.gz CCQSRRHYTLFMCX-QWHCGFSZSA-N 2 2 269.389 0.044 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H]1CCCCNC1=O ZINC000772746633 581888453 /nfs/dbraw/zinc/88/84/53/581888453.db2.gz CCQSRRHYTLFMCX-QWHCGFSZSA-N 2 2 269.389 0.044 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)CC2CC2)CC[N@@H+]1C ZINC000773068537 581907486 /nfs/dbraw/zinc/90/74/86/581907486.db2.gz ZTMOCTFNZKRLLW-DGCLKSJQSA-N 2 2 274.430 0.884 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCS(=O)(=O)CC2CC2)CC[N@H+]1C ZINC000773068537 581907488 /nfs/dbraw/zinc/90/74/88/581907488.db2.gz ZTMOCTFNZKRLLW-DGCLKSJQSA-N 2 2 274.430 0.884 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CCCN2CCOC2=O)CC1 ZINC000746449468 581914441 /nfs/dbraw/zinc/91/44/41/581914441.db2.gz HUXUJFYDKFBUNS-UHFFFAOYSA-N 2 2 293.371 0.384 20 0 CCADLP C[C@@H]1CC(=O)N(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)C1 ZINC000746643239 581921825 /nfs/dbraw/zinc/92/18/25/581921825.db2.gz GIUUOSDDRPGCTC-LXTVHRRPSA-N 2 2 295.427 0.996 20 0 CCADLP C[C@@H]1CC(=O)N(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)C1 ZINC000746643239 581921826 /nfs/dbraw/zinc/92/18/26/581921826.db2.gz GIUUOSDDRPGCTC-LXTVHRRPSA-N 2 2 295.427 0.996 20 0 CCADLP COCCC[N@H+](C)CC[NH2+]C1CCN(C=O)CC1 ZINC000774203629 581964688 /nfs/dbraw/zinc/96/46/88/581964688.db2.gz GKBOIPOABYVBQE-UHFFFAOYSA-N 2 2 257.378 0.165 20 0 CCADLP COCCC[N@@H+](C)CC[NH2+]C1CCN(C=O)CC1 ZINC000774203629 581964689 /nfs/dbraw/zinc/96/46/89/581964689.db2.gz GKBOIPOABYVBQE-UHFFFAOYSA-N 2 2 257.378 0.165 20 0 CCADLP C[NH+]1CCC2(CCN2C(=O)CCn2cc[nH+]c2)CC1 ZINC000748325425 581969560 /nfs/dbraw/zinc/96/95/60/581969560.db2.gz JAKICDDJBCYCRJ-UHFFFAOYSA-N 2 2 262.357 0.970 20 0 CCADLP Cc1[nH+]ccn1CCCN1CC[NH+](CCCCO)CC1 ZINC000762926846 581972894 /nfs/dbraw/zinc/97/28/94/581972894.db2.gz WAXMKDXKPPIXFZ-UHFFFAOYSA-N 2 2 280.416 0.972 20 0 CCADLP Cc1[nH+]ccn1CCC[NH+]1CCN(CCCCO)CC1 ZINC000762926846 581972897 /nfs/dbraw/zinc/97/28/97/581972897.db2.gz WAXMKDXKPPIXFZ-UHFFFAOYSA-N 2 2 280.416 0.972 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)OC)C[C@H]1C ZINC000774646901 581986669 /nfs/dbraw/zinc/98/66/69/581986669.db2.gz PUMOERGZUTZUIT-VXGBXAGGSA-N 2 2 257.378 0.811 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)OC)C[C@H]1C ZINC000774646901 581986671 /nfs/dbraw/zinc/98/66/71/581986671.db2.gz PUMOERGZUTZUIT-VXGBXAGGSA-N 2 2 257.378 0.811 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(C)OC)C[C@H]1C ZINC000774646901 581986672 /nfs/dbraw/zinc/98/66/72/581986672.db2.gz PUMOERGZUTZUIT-VXGBXAGGSA-N 2 2 257.378 0.811 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(C)OC)C[C@H]1C ZINC000774646901 581986674 /nfs/dbraw/zinc/98/66/74/581986674.db2.gz PUMOERGZUTZUIT-VXGBXAGGSA-N 2 2 257.378 0.811 20 0 CCADLP CON(C)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000774705223 581990436 /nfs/dbraw/zinc/99/04/36/581990436.db2.gz VUOXJAVOAOKDJF-GXTWGEPZSA-N 2 2 281.400 0.955 20 0 CCADLP CON(C)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000774705223 581990439 /nfs/dbraw/zinc/99/04/39/581990439.db2.gz VUOXJAVOAOKDJF-GXTWGEPZSA-N 2 2 281.400 0.955 20 0 CCADLP CON(C)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000774705223 581990443 /nfs/dbraw/zinc/99/04/43/581990443.db2.gz VUOXJAVOAOKDJF-GXTWGEPZSA-N 2 2 281.400 0.955 20 0 CCADLP CON(C)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000774705223 581990447 /nfs/dbraw/zinc/99/04/47/581990447.db2.gz VUOXJAVOAOKDJF-GXTWGEPZSA-N 2 2 281.400 0.955 20 0 CCADLP COCC1=CC[N@H+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000775825329 582041826 /nfs/dbraw/zinc/04/18/26/582041826.db2.gz ATEXMGQNJHYDOX-CQSZACIVSA-N 2 2 254.374 0.722 20 0 CCADLP COCC1=CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000775825329 582041828 /nfs/dbraw/zinc/04/18/28/582041828.db2.gz ATEXMGQNJHYDOX-CQSZACIVSA-N 2 2 254.374 0.722 20 0 CCADLP CS(=O)(=O)NCCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924601867 617173361 /nfs/dbraw/zinc/17/33/61/617173361.db2.gz YPRNUFSHUZPNAG-OLZOCXBDSA-N 2 2 289.445 0.532 20 0 CCADLP CS(=O)(=O)NCCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924601867 617173360 /nfs/dbraw/zinc/17/33/60/617173360.db2.gz YPRNUFSHUZPNAG-OLZOCXBDSA-N 2 2 289.445 0.532 20 0 CCADLP c1cn(CC[NH2+]Cc2cc(-c3nn[nH]n3)cs2)c[nH+]1 ZINC000823809005 606207903 /nfs/dbraw/zinc/20/79/03/606207903.db2.gz HKYNEMFAWIEFMJ-UHFFFAOYSA-N 2 2 275.341 0.915 20 0 CCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC000843356157 614181764 /nfs/dbraw/zinc/18/17/64/614181764.db2.gz RZBKARGWMBVEAZ-WCQYABFASA-N 2 2 257.378 0.197 20 0 CCADLP CC(C)[C@H](O)CC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000878292213 614257172 /nfs/dbraw/zinc/25/71/72/614257172.db2.gz GUFXKKOYEQTGER-LSDHHAIUSA-N 2 2 297.443 0.808 20 0 CCADLP CC(C)[C@H](O)CC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000878292213 614257174 /nfs/dbraw/zinc/25/71/74/614257174.db2.gz GUFXKKOYEQTGER-LSDHHAIUSA-N 2 2 297.443 0.808 20 0 CCADLP CCC[C@H](O)CC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000925860504 614422630 /nfs/dbraw/zinc/42/26/30/614422630.db2.gz YZYHQMOZHXEEIA-BFHYXJOUSA-N 2 2 256.390 0.894 20 0 CCADLP CS[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH+](C)C ZINC000831300763 617268798 /nfs/dbraw/zinc/26/87/98/617268798.db2.gz VDAXVHTWOYCJDI-NXEZZACHSA-N 2 2 268.386 0.456 20 0 CCADLP C/C(=C/C(=O)N1CC([NH+]2CCCC2)C1)C[NH+]1CCOCC1 ZINC000912321918 613228577 /nfs/dbraw/zinc/22/85/77/613228577.db2.gz MJTDCSCCBXVMMK-UVTDQMKNSA-N 2 2 293.411 0.572 20 0 CCADLP C(OC1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1)[C@@H]1CCCO1 ZINC000852744962 613229874 /nfs/dbraw/zinc/22/98/74/613229874.db2.gz LXKGPMKHLGEBJU-LSDHHAIUSA-N 2 2 284.400 0.635 20 0 CCADLP C/C(=C\C(=O)NCC[N@H+]1CC[C@H](C)C1)C[NH+]1CCOCC1 ZINC000900911812 613256360 /nfs/dbraw/zinc/25/63/60/613256360.db2.gz CMWAXCQZDBIKOO-AYYGCFCKSA-N 2 2 295.427 0.723 20 0 CCADLP C/C(=C\C(=O)NCC[N@@H+]1CC[C@H](C)C1)C[NH+]1CCOCC1 ZINC000900911812 613256363 /nfs/dbraw/zinc/25/63/63/613256363.db2.gz CMWAXCQZDBIKOO-AYYGCFCKSA-N 2 2 295.427 0.723 20 0 CCADLP CC(C)(C)CC[C@@H]([NH3+])C[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000904376621 613914727 /nfs/dbraw/zinc/91/47/27/613914727.db2.gz VIQDCPRAEFFQHD-NEPJUHHUSA-N 2 2 291.461 0.764 20 0 CCADLP CC(C)OC(=O)C(C)(C)[NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000904473359 613984549 /nfs/dbraw/zinc/98/45/49/613984549.db2.gz RDZYSVSICPLPJH-GFCCVEGCSA-N 2 2 299.415 0.504 20 0 CCADLP CC(C)OC[C@H](O)C[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000871971149 614036779 /nfs/dbraw/zinc/03/67/79/614036779.db2.gz HRHWDJGKVDKGRJ-RBSFLKMASA-N 2 2 288.432 0.861 20 0 CCADLP CC(C)(CCC[NH3+])NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876860053 614082862 /nfs/dbraw/zinc/08/28/62/614082862.db2.gz RECMSZSEFYTTBT-HWKANZROSA-N 2 2 269.389 0.509 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C[C@@H](O)COC(C)C)C1 ZINC000871978654 614098057 /nfs/dbraw/zinc/09/80/57/614098057.db2.gz XQKMUDSGRZMHSW-CABCVRRESA-N 2 2 288.432 0.719 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C[C@@H](O)COC(C)C)C1 ZINC000871978654 614098059 /nfs/dbraw/zinc/09/80/59/614098059.db2.gz XQKMUDSGRZMHSW-CABCVRRESA-N 2 2 288.432 0.719 20 0 CCADLP CC(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963021250 614130591 /nfs/dbraw/zinc/13/05/91/614130591.db2.gz PNPQMKPKNWRHGW-IMRBUKKESA-N 2 2 262.357 0.586 20 0 CCADLP CC(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963021250 614130593 /nfs/dbraw/zinc/13/05/93/614130593.db2.gz PNPQMKPKNWRHGW-IMRBUKKESA-N 2 2 262.357 0.586 20 0 CCADLP CC(C)[C@@H]1COCC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000926747964 614164605 /nfs/dbraw/zinc/16/46/05/614164605.db2.gz CVIGISCCOTVETK-ZNMIVQPWSA-N 2 2 297.443 0.977 20 0 CCADLP CC(C)[C@@H]1COCC[C@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000926747964 614164607 /nfs/dbraw/zinc/16/46/07/614164607.db2.gz CVIGISCCOTVETK-ZNMIVQPWSA-N 2 2 297.443 0.977 20 0 CCADLP CC(C)(O)C[NH+]1CCN(c2nccn3c[nH+]cc23)CC1 ZINC000892271952 614188166 /nfs/dbraw/zinc/18/81/66/614188166.db2.gz ZUAMBFHTQZDFBV-UHFFFAOYSA-N 2 2 275.356 0.622 20 0 CCADLP CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](C)[C@@H](C)C[NH3+])cc1 ZINC000923292045 614202459 /nfs/dbraw/zinc/20/24/59/614202459.db2.gz WOLRNVJWGFLWJB-FZMZJTMJSA-N 2 2 295.383 0.664 20 0 CCADLP CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](C)[C@@H](C)C[NH3+])cc1 ZINC000923292045 614202461 /nfs/dbraw/zinc/20/24/61/614202461.db2.gz WOLRNVJWGFLWJB-FZMZJTMJSA-N 2 2 295.383 0.664 20 0 CCADLP CC(C)N1CC[NH+](CCC(=O)NCC[NH+]2CCC2)CC1 ZINC000901180111 614359446 /nfs/dbraw/zinc/35/94/46/614359446.db2.gz AYOZVRGHXRQSRV-UHFFFAOYSA-N 2 2 282.432 0.224 20 0 CCADLP CCN(C(=O)N[C@H]1CCn2cc[nH+]c2C1)[C@H]1CC[NH2+]C1 ZINC000891818469 614605704 /nfs/dbraw/zinc/60/57/04/614605704.db2.gz IQSRUYUOIIXHDA-RYUDHWBXSA-N 2 2 277.372 0.591 20 0 CCADLP CCC[NH+]1CCC(NC(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000864579296 614619662 /nfs/dbraw/zinc/61/96/62/614619662.db2.gz UOZQYUAPMSQDPI-ONEGZZNKSA-N 2 2 295.427 0.865 20 0 CCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH+](C)[C@@H](CO)C2)C1 ZINC000913558266 614648230 /nfs/dbraw/zinc/64/82/30/614648230.db2.gz LTWBDBLEIWIIKD-ZIAGYGMSSA-N 2 2 283.416 0.243 20 0 CCADLP CCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH+](C)[C@@H](CO)C2)C1 ZINC000913558266 614648232 /nfs/dbraw/zinc/64/82/32/614648232.db2.gz LTWBDBLEIWIIKD-ZIAGYGMSSA-N 2 2 283.416 0.243 20 0 CCADLP CCC[NH+]1CCC[C@@H](C(=O)N2CC[N@H+](C)[C@@H](CO)C2)C1 ZINC000913558266 614648234 /nfs/dbraw/zinc/64/82/34/614648234.db2.gz LTWBDBLEIWIIKD-ZIAGYGMSSA-N 2 2 283.416 0.243 20 0 CCADLP CCC[NH+]1CCC[C@@H](C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)C1 ZINC000913558266 614648235 /nfs/dbraw/zinc/64/82/35/614648235.db2.gz LTWBDBLEIWIIKD-ZIAGYGMSSA-N 2 2 283.416 0.243 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@H]([NH3+])CC2CC2)CCO1 ZINC000884206428 614655431 /nfs/dbraw/zinc/65/54/31/614655431.db2.gz UXNVSHQNNHTHOT-GFCCVEGCSA-N 2 2 269.389 0.341 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@H]([NH3+])CC2CC2)CCO1 ZINC000884206428 614655433 /nfs/dbraw/zinc/65/54/33/614655433.db2.gz UXNVSHQNNHTHOT-GFCCVEGCSA-N 2 2 269.389 0.341 20 0 CCADLP CC1(C)C[N@H+](CCO)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941247323 614658795 /nfs/dbraw/zinc/65/87/95/614658795.db2.gz ILENKDQTSJOCRZ-GFCCVEGCSA-N 2 2 280.372 0.092 20 0 CCADLP CC1(C)C[N@@H+](CCO)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941247323 614658799 /nfs/dbraw/zinc/65/87/99/614658799.db2.gz ILENKDQTSJOCRZ-GFCCVEGCSA-N 2 2 280.372 0.092 20 0 CCADLP CCC[N@@H+]1CCC[C@H](C(=O)N(CC)C2C[NH+](CCO)C2)C1 ZINC000951214540 614665920 /nfs/dbraw/zinc/66/59/20/614665920.db2.gz KZMNUGJPVUIXRF-AWEZNQCLSA-N 2 2 297.443 0.633 20 0 CCADLP CCC[N@H+]1CCC[C@H](C(=O)N(CC)C2C[NH+](CCO)C2)C1 ZINC000951214540 614665923 /nfs/dbraw/zinc/66/59/23/614665923.db2.gz KZMNUGJPVUIXRF-AWEZNQCLSA-N 2 2 297.443 0.633 20 0 CCADLP CCC1([NH+](C)C)CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000870574944 614699531 /nfs/dbraw/zinc/69/95/31/614699531.db2.gz PLZQLQCYDMYAAB-LBPRGKRZSA-N 2 2 280.372 0.776 20 0 CCADLP CC1(C)OC[C@@H](C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)O1 ZINC000852154781 614821352 /nfs/dbraw/zinc/82/13/52/614821352.db2.gz TYAWEGRMWLRKIR-CQSZACIVSA-N 2 2 298.427 0.964 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2nccn2C)C1 ZINC000846878227 614865899 /nfs/dbraw/zinc/86/58/99/614865899.db2.gz GDIHWAWSXXHNQV-KGLIPLIRSA-N 2 2 280.416 0.912 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2nccn2C)C1 ZINC000846878227 614865901 /nfs/dbraw/zinc/86/59/01/614865901.db2.gz GDIHWAWSXXHNQV-KGLIPLIRSA-N 2 2 280.416 0.912 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000846878227 614865904 /nfs/dbraw/zinc/86/59/04/614865904.db2.gz GDIHWAWSXXHNQV-KGLIPLIRSA-N 2 2 280.416 0.912 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000846878227 614865906 /nfs/dbraw/zinc/86/59/06/614865906.db2.gz GDIHWAWSXXHNQV-KGLIPLIRSA-N 2 2 280.416 0.912 20 0 CCADLP CC[N@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000980294543 614905855 /nfs/dbraw/zinc/90/58/55/614905855.db2.gz DNJAUFUOALDTIV-ZDUSSCGKSA-N 2 2 264.373 0.905 20 0 CCADLP CC[N@@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000980294543 614905858 /nfs/dbraw/zinc/90/58/58/614905858.db2.gz DNJAUFUOALDTIV-ZDUSSCGKSA-N 2 2 264.373 0.905 20 0 CCADLP CC[N@H+](CC(=O)N[C@@H](CO)c1c[nH+]cn1C)C1CC1 ZINC000898887213 614941790 /nfs/dbraw/zinc/94/17/90/614941790.db2.gz JOAUGVUTGDORIY-NSHDSACASA-N 2 2 266.345 0.054 20 0 CCADLP CC[N@@H+](CC(=O)N[C@@H](CO)c1c[nH+]cn1C)C1CC1 ZINC000898887213 614941793 /nfs/dbraw/zinc/94/17/93/614941793.db2.gz JOAUGVUTGDORIY-NSHDSACASA-N 2 2 266.345 0.054 20 0 CCADLP CCN(CC)C(=O)C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000134194456 614979013 /nfs/dbraw/zinc/97/90/13/614979013.db2.gz LRATXXGARSYXQA-VXGBXAGGSA-N 2 2 257.378 0.211 20 0 CCADLP CC[N@H+](CCNC(=O)N[C@H]1Cc2c[nH+]cn2C1)C(C)C ZINC000875212078 615050177 /nfs/dbraw/zinc/05/01/77/615050177.db2.gz WQSVTRJFJDGKBM-LBPRGKRZSA-N 2 2 279.388 0.837 20 0 CCADLP CC[N@@H+](CCNC(=O)N[C@H]1Cc2c[nH+]cn2C1)C(C)C ZINC000875212078 615050178 /nfs/dbraw/zinc/05/01/78/615050178.db2.gz WQSVTRJFJDGKBM-LBPRGKRZSA-N 2 2 279.388 0.837 20 0 CCADLP CCN(C(=O)c1ccn(CC[NH+](C)C)n1)C1C[NH+](CC)C1 ZINC000950350112 615084905 /nfs/dbraw/zinc/08/49/05/615084905.db2.gz LRSHSPCNLHDPNP-UHFFFAOYSA-N 2 2 293.415 0.611 20 0 CCADLP CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000984096348 615094333 /nfs/dbraw/zinc/09/43/33/615094333.db2.gz ZONCZQRZHGFETC-AVGNSLFASA-N 2 2 276.384 0.950 20 0 CCADLP CC[NH+]1CCC(CNC(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000864994520 615099001 /nfs/dbraw/zinc/09/90/01/615099001.db2.gz QYJFEUVAOMYKNP-ONEGZZNKSA-N 2 2 295.427 0.723 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865702585 615112753 /nfs/dbraw/zinc/11/27/53/615112753.db2.gz OUKPWCVAFLJQAI-KEDPEKRHSA-N 2 2 295.427 0.865 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865702585 615112755 /nfs/dbraw/zinc/11/27/55/615112755.db2.gz OUKPWCVAFLJQAI-KEDPEKRHSA-N 2 2 295.427 0.865 20 0 CCADLP CC[N@@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC000910265426 615117926 /nfs/dbraw/zinc/11/79/26/615117926.db2.gz DQGZYNCNDJOUOL-LLVKDONJSA-N 2 2 250.346 0.895 20 0 CCADLP CC[N@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC000910265426 615117928 /nfs/dbraw/zinc/11/79/28/615117928.db2.gz DQGZYNCNDJOUOL-LLVKDONJSA-N 2 2 250.346 0.895 20 0 CCADLP CCN1CCC[N@H+](C[C@H]2CCCC[NH2+]C2)CC1=O ZINC000903755390 615122146 /nfs/dbraw/zinc/12/21/46/615122146.db2.gz GKXOALCTNPIVOS-ZDUSSCGKSA-N 2 2 253.390 0.930 20 0 CCADLP CCN1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)CC1=O ZINC000903755390 615122147 /nfs/dbraw/zinc/12/21/47/615122147.db2.gz GKXOALCTNPIVOS-ZDUSSCGKSA-N 2 2 253.390 0.930 20 0 CCADLP CC[NH2+][C@H](C)[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CCO1 ZINC000979280787 615131208 /nfs/dbraw/zinc/13/12/08/615131208.db2.gz QEHZQPYPBUDBGS-VXGBXAGGSA-N 2 2 280.372 0.568 20 0 CCADLP CC[NH2+][C@H](C)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC000979433235 615131443 /nfs/dbraw/zinc/13/14/43/615131443.db2.gz PFSLPKMKIYFFTE-GHMZBOCLSA-N 2 2 266.345 0.178 20 0 CCADLP CC[NH2+][C@H](C)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC000979452478 615131543 /nfs/dbraw/zinc/13/15/43/615131543.db2.gz YWYORZLSLXHWBO-VXGBXAGGSA-N 2 2 266.345 0.109 20 0 CCADLP CC[N@@H+]1CCC[C@H](NC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000865184174 615138144 /nfs/dbraw/zinc/13/81/44/615138144.db2.gz OOHWIVRJLWHJJV-SDQPKGBYSA-N 2 2 281.400 0.475 20 0 CCADLP CC[N@H+]1CCC[C@H](NC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000865184174 615138145 /nfs/dbraw/zinc/13/81/45/615138145.db2.gz OOHWIVRJLWHJJV-SDQPKGBYSA-N 2 2 281.400 0.475 20 0 CCADLP CC[N@@H+]1CCN(C(=O)/C=C(/C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC000908136261 615147692 /nfs/dbraw/zinc/14/76/92/615147692.db2.gz BNFNMEVCYWWRMH-QKXCFHHRSA-N 2 2 295.427 0.818 20 0 CCADLP CC[N@H+]1CCN(C(=O)/C=C(/C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC000908136261 615147694 /nfs/dbraw/zinc/14/76/94/615147694.db2.gz BNFNMEVCYWWRMH-QKXCFHHRSA-N 2 2 295.427 0.818 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)[C@@H]2CC[C@H]2OC)CC1 ZINC000934123638 615152397 /nfs/dbraw/zinc/15/23/97/615152397.db2.gz MEOGFQKFBVCPCV-BFHYXJOUSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)[C@@H]2CC[C@H]2OC)CC1 ZINC000934123638 615152399 /nfs/dbraw/zinc/15/23/99/615152399.db2.gz MEOGFQKFBVCPCV-BFHYXJOUSA-N 2 2 283.416 0.648 20 0 CCADLP CCOC1CC([NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)C1 ZINC000866412976 615218144 /nfs/dbraw/zinc/21/81/44/615218144.db2.gz CKFRHIZOHVMLCW-HIFPTAJRSA-N 2 2 256.390 0.989 20 0 CCADLP CCOC1CC([NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)C1 ZINC000866412976 615218146 /nfs/dbraw/zinc/21/81/46/615218146.db2.gz CKFRHIZOHVMLCW-HIFPTAJRSA-N 2 2 256.390 0.989 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)N(C)[C@H]2CC[NH+]3CCO[C@H]2C3)C1 ZINC000413851200 615282906 /nfs/dbraw/zinc/28/29/06/615282906.db2.gz DOXOVMMEJYKAFQ-IHRRRGAJSA-N 2 2 296.415 0.195 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)N(C)[C@H]2CC[NH+]3CCO[C@H]2C3)C1 ZINC000413851200 615282908 /nfs/dbraw/zinc/28/29/08/615282908.db2.gz DOXOVMMEJYKAFQ-IHRRRGAJSA-N 2 2 296.415 0.195 20 0 CCADLP CC[NH+]1CC[C@H](NC(=O)N(C)[C@H]2CC[N@@H+]3CCO[C@H]2C3)C1 ZINC000413851200 615282911 /nfs/dbraw/zinc/28/29/11/615282911.db2.gz DOXOVMMEJYKAFQ-IHRRRGAJSA-N 2 2 296.415 0.195 20 0 CCADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925778151 615326267 /nfs/dbraw/zinc/32/62/67/615326267.db2.gz RNOFBZKVHQEVRU-GARJFASQSA-N 2 2 291.342 0.114 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000928645226 615477091 /nfs/dbraw/zinc/47/70/91/615477091.db2.gz DFEUWOWZOUXZSN-KBPBESRZSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000928645226 615477092 /nfs/dbraw/zinc/47/70/92/615477092.db2.gz DFEUWOWZOUXZSN-KBPBESRZSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[N@H+](C)CC1 ZINC000925572200 615477591 /nfs/dbraw/zinc/47/75/91/615477591.db2.gz HBTVWWRCAHQNIT-AWEZNQCLSA-N 2 2 298.431 0.444 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[N@@H+](C)CC1 ZINC000925572200 615477592 /nfs/dbraw/zinc/47/75/92/615477592.db2.gz HBTVWWRCAHQNIT-AWEZNQCLSA-N 2 2 298.431 0.444 20 0 CCADLP CCO[C@H](C[NH2+]C[C@H]1[C@H](C(=O)OC)C1(F)F)C[NH+](C)C ZINC000896880777 615484161 /nfs/dbraw/zinc/48/41/61/615484161.db2.gz ZNYDXWZEURFVCG-OUAUKWLOSA-N 2 2 294.342 0.597 20 0 CCADLP CCO[C@@H]1[C@H](C)[C@@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000912386913 615499690 /nfs/dbraw/zinc/49/96/90/615499690.db2.gz KMVNXFWTXSURFA-HZSPNIEDSA-N 2 2 285.432 0.657 20 0 CCADLP CCO[C@@H]1[C@H](C)[C@@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000912386913 615499691 /nfs/dbraw/zinc/49/96/91/615499691.db2.gz KMVNXFWTXSURFA-HZSPNIEDSA-N 2 2 285.432 0.657 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923316149 615539836 /nfs/dbraw/zinc/53/98/36/615539836.db2.gz SRJPTHGBJQEKBL-NEPJUHHUSA-N 2 2 290.429 0.120 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923316149 615539837 /nfs/dbraw/zinc/53/98/37/615539837.db2.gz SRJPTHGBJQEKBL-NEPJUHHUSA-N 2 2 290.429 0.120 20 0 CCADLP CC[C@@H](O)c1cn(CC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000864647972 615543953 /nfs/dbraw/zinc/54/39/53/615543953.db2.gz ONXKEKCBKADTSL-CYBMUJFWSA-N 2 2 269.393 0.605 20 0 CCADLP CC[C@@H](O)c1cn(CC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000864647972 615543954 /nfs/dbraw/zinc/54/39/54/615543954.db2.gz ONXKEKCBKADTSL-CYBMUJFWSA-N 2 2 269.393 0.605 20 0 CCADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000909212520 615563229 /nfs/dbraw/zinc/56/32/29/615563229.db2.gz NTVPYMJLLWFEBS-GFCCVEGCSA-N 2 2 250.346 0.895 20 0 CCADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000909212520 615563230 /nfs/dbraw/zinc/56/32/30/615563230.db2.gz NTVPYMJLLWFEBS-GFCCVEGCSA-N 2 2 250.346 0.895 20 0 CCADLP CC[C@H](C(=O)NCCC[NH3+])[N@@H+]1CCO[C@H](CC)C1 ZINC000911648924 615565241 /nfs/dbraw/zinc/56/52/41/615565241.db2.gz XOZWFQFEVQEDAD-VXGBXAGGSA-N 2 2 257.378 0.341 20 0 CCADLP CC[C@H](C(=O)NCCC[NH3+])[N@H+]1CCO[C@H](CC)C1 ZINC000911648924 615565242 /nfs/dbraw/zinc/56/52/42/615565242.db2.gz XOZWFQFEVQEDAD-VXGBXAGGSA-N 2 2 257.378 0.341 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000877433738 615568063 /nfs/dbraw/zinc/56/80/63/615568063.db2.gz IBDIKJBGNZNVIO-SDDRHHMPSA-N 2 2 257.378 0.197 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000877433738 615568064 /nfs/dbraw/zinc/56/80/64/615568064.db2.gz IBDIKJBGNZNVIO-SDDRHHMPSA-N 2 2 257.378 0.197 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000877433988 615568266 /nfs/dbraw/zinc/56/82/66/615568266.db2.gz LGPQNVISWKPSRS-VWYCJHECSA-N 2 2 291.342 0.053 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000877433988 615568267 /nfs/dbraw/zinc/56/82/67/615568267.db2.gz LGPQNVISWKPSRS-VWYCJHECSA-N 2 2 291.342 0.053 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000877432434 615568272 /nfs/dbraw/zinc/56/82/72/615568272.db2.gz DKNXSGQGSQBQLI-BFHYXJOUSA-N 2 2 285.432 0.833 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000877432434 615568273 /nfs/dbraw/zinc/56/82/73/615568273.db2.gz DKNXSGQGSQBQLI-BFHYXJOUSA-N 2 2 285.432 0.833 20 0 CCADLP CCn1c[nH+]c2c1CCN(C[C@@H](O)C[N@H+](C)CCOC)C2 ZINC000933255003 615629400 /nfs/dbraw/zinc/62/94/00/615629400.db2.gz GZGKIEOQRRGHQM-ZDUSSCGKSA-N 2 2 296.415 0.200 20 0 CCADLP CCn1c[nH+]c2c1CCN(C[C@@H](O)C[N@@H+](C)CCOC)C2 ZINC000933255003 615629403 /nfs/dbraw/zinc/62/94/03/615629403.db2.gz GZGKIEOQRRGHQM-ZDUSSCGKSA-N 2 2 296.415 0.200 20 0 CCADLP CC[C@H](C)C[NH+]1CC(N(CC)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000949830205 615648915 /nfs/dbraw/zinc/64/89/15/615648915.db2.gz GBKFVUQJIHVUCH-ZFWWWQNUSA-N 2 2 297.443 0.896 20 0 CCADLP CC[C@H](C)C[NH+]1CC(N(CC)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000949830205 615648916 /nfs/dbraw/zinc/64/89/16/615648916.db2.gz GBKFVUQJIHVUCH-ZFWWWQNUSA-N 2 2 297.443 0.896 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[N@H+](CC)C1 ZINC000922908370 615717555 /nfs/dbraw/zinc/71/75/55/615717555.db2.gz NAXTXZNPHKYCQI-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[N@@H+](CC)C1 ZINC000922908370 615717556 /nfs/dbraw/zinc/71/75/56/615717556.db2.gz NAXTXZNPHKYCQI-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+](C)C(C)(C)CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864525636 615838792 /nfs/dbraw/zinc/83/87/92/615838792.db2.gz HSITWUKRPFCOBT-AATRIKPKSA-N 2 2 269.389 0.331 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)OC(C)(C)C ZINC000853825579 615878512 /nfs/dbraw/zinc/87/85/12/615878512.db2.gz QDCCDVXBMXRAOJ-UHFFFAOYSA-N 2 2 287.404 0.328 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)OC(C)(C)C ZINC000853825579 615878513 /nfs/dbraw/zinc/87/85/13/615878513.db2.gz QDCCDVXBMXRAOJ-UHFFFAOYSA-N 2 2 287.404 0.328 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)/C=C/C1CC1 ZINC000855414665 615878940 /nfs/dbraw/zinc/87/89/40/615878940.db2.gz JHLFJVHEFAMYQJ-BQYQJAHWSA-N 2 2 253.390 0.952 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)/C=C/C1CC1 ZINC000855414665 615878942 /nfs/dbraw/zinc/87/89/42/615878942.db2.gz JHLFJVHEFAMYQJ-BQYQJAHWSA-N 2 2 253.390 0.952 20 0 CCADLP Cn1ccc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000853933530 615879122 /nfs/dbraw/zinc/87/91/22/615879122.db2.gz FSGIHBUUVQDSQJ-UHFFFAOYSA-N 2 2 296.419 0.103 20 0 CCADLP Cn1ccc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000853933530 615879124 /nfs/dbraw/zinc/87/91/24/615879124.db2.gz FSGIHBUUVQDSQJ-UHFFFAOYSA-N 2 2 296.419 0.103 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870953226 615879489 /nfs/dbraw/zinc/87/94/89/615879489.db2.gz QDNRQFCYKNPZPR-HDJSIYSDSA-N 3 2 284.448 0.504 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870953226 615879491 /nfs/dbraw/zinc/87/94/91/615879491.db2.gz QDNRQFCYKNPZPR-HDJSIYSDSA-N 3 2 284.448 0.504 20 0 CCADLP C[NH+](C)CCC[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC000856431042 615888276 /nfs/dbraw/zinc/88/82/76/615888276.db2.gz OJQRYQQXZBPFDB-LBPRGKRZSA-N 2 2 280.372 0.521 20 0 CCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(F)C(F)(F)F ZINC000810440251 615895732 /nfs/dbraw/zinc/89/57/32/615895732.db2.gz RIJFWGGTZXTSRX-SECBINFHSA-N 2 2 287.301 0.839 20 0 CCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H](F)C(F)(F)F ZINC000810440251 615895735 /nfs/dbraw/zinc/89/57/35/615895735.db2.gz RIJFWGGTZXTSRX-SECBINFHSA-N 2 2 287.301 0.839 20 0 CCADLP C[NH+](C)CCONC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000854947483 615908164 /nfs/dbraw/zinc/90/81/64/615908164.db2.gz YIXZHAMEXMZEIT-SNVBAGLBSA-N 2 2 252.318 0.055 20 0 CCADLP C[NH+](C)CC[C@H]([NH2+]CCS(C)(=O)=O)C(C)(C)C ZINC000819083259 615913839 /nfs/dbraw/zinc/91/38/39/615913839.db2.gz YQQHQLGOMXHWDR-NSHDSACASA-N 2 2 264.435 0.987 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NCC1([NH+](C)C)CC1 ZINC000922984661 615925348 /nfs/dbraw/zinc/92/53/48/615925348.db2.gz UUQNRGGNXSKUOR-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NCC1([NH+](C)C)CC1 ZINC000922984661 615925350 /nfs/dbraw/zinc/92/53/50/615925350.db2.gz UUQNRGGNXSKUOR-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CC(C)C ZINC000877433080 615925869 /nfs/dbraw/zinc/92/58/69/615925869.db2.gz ITCNEBBQOKAJFM-STQMWFEESA-N 2 2 271.405 0.587 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CC(C)C ZINC000877433080 615925870 /nfs/dbraw/zinc/92/58/70/615925870.db2.gz ITCNEBBQOKAJFM-STQMWFEESA-N 2 2 271.405 0.587 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925609878 615944661 /nfs/dbraw/zinc/94/46/61/615944661.db2.gz WWBIJSVPYZTWPN-RBSFLKMASA-N 3 2 269.433 0.667 20 0 CCADLP C[NH+](C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCF)C1)c1cccnc1 ZINC000970816874 615972114 /nfs/dbraw/zinc/97/21/14/615972114.db2.gz ZFMLMXUQOIRJRL-ZIAGYGMSSA-N 2 2 294.374 0.844 20 0 CCADLP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000867812952 615976121 /nfs/dbraw/zinc/97/61/21/615976121.db2.gz OLZRTMQKOXNODH-ZYHUDNBSSA-N 2 2 266.345 0.386 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(N)nn1 ZINC000904345517 615981200 /nfs/dbraw/zinc/98/12/00/615981200.db2.gz IZORWJRKUAVXHB-MCIONIFRSA-N 2 2 291.399 0.742 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(N)nn1 ZINC000904345517 615981202 /nfs/dbraw/zinc/98/12/02/615981202.db2.gz IZORWJRKUAVXHB-MCIONIFRSA-N 2 2 291.399 0.742 20 0 CCADLP C[NH+](C)[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC000912601666 615995754 /nfs/dbraw/zinc/99/57/54/615995754.db2.gz RBWCYCIVSDHCNF-QWRGUYRKSA-N 2 2 262.357 0.941 20 0 CCADLP CCn1cc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)c(C)n1 ZINC000893179297 615998198 /nfs/dbraw/zinc/99/81/98/615998198.db2.gz OKFMUYITSPDZGL-CYBMUJFWSA-N 2 2 254.378 0.614 20 0 CCADLP CN(C)c1nc(N[C@H]2CC[N@H+](CC(C)(C)O)C2)cc[nH+]1 ZINC000865999196 616037045 /nfs/dbraw/zinc/03/70/45/616037045.db2.gz ZLUJSZUYNCZPMH-NSHDSACASA-N 2 2 279.388 0.800 20 0 CCADLP CN(C)c1nc(N[C@H]2CC[N@@H+](CC(C)(C)O)C2)cc[nH+]1 ZINC000865999196 616037046 /nfs/dbraw/zinc/03/70/46/616037046.db2.gz ZLUJSZUYNCZPMH-NSHDSACASA-N 2 2 279.388 0.800 20 0 CCADLP CN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000635973504 616042141 /nfs/dbraw/zinc/04/21/41/616042141.db2.gz NLJNFTQOGWFPMR-KGLIPLIRSA-N 2 2 297.443 0.896 20 0 CCADLP CN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000635973504 616042142 /nfs/dbraw/zinc/04/21/42/616042142.db2.gz NLJNFTQOGWFPMR-KGLIPLIRSA-N 2 2 297.443 0.896 20 0 CCADLP CN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000635973504 616042144 /nfs/dbraw/zinc/04/21/44/616042144.db2.gz NLJNFTQOGWFPMR-KGLIPLIRSA-N 2 2 297.443 0.896 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H](O)C1(O)CCCC1 ZINC000930128082 616076724 /nfs/dbraw/zinc/07/67/24/616076724.db2.gz YXWHTDHSRKHUCT-ZDUSSCGKSA-N 2 2 267.373 0.871 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H](O)C1(O)CCCC1 ZINC000930128082 616076725 /nfs/dbraw/zinc/07/67/25/616076725.db2.gz YXWHTDHSRKHUCT-ZDUSSCGKSA-N 2 2 267.373 0.871 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903764256 616076736 /nfs/dbraw/zinc/07/67/36/616076736.db2.gz QNVJKDJLWLTLEJ-CABCVRRESA-N 3 2 278.400 0.974 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903764256 616076737 /nfs/dbraw/zinc/07/67/37/616076737.db2.gz QNVJKDJLWLTLEJ-CABCVRRESA-N 3 2 278.400 0.974 20 0 CCADLP C[N@H+](CCO[NH+]=C(N)CCO)Cc1ccccc1 ZINC000842040417 616117840 /nfs/dbraw/zinc/11/78/40/616117840.db2.gz HOAVJUUMWZBEEB-UHFFFAOYSA-N 2 2 251.330 0.999 20 0 CCADLP C[N@@H+](CCO[NH+]=C(N)CCO)Cc1ccccc1 ZINC000842040417 616117842 /nfs/dbraw/zinc/11/78/42/616117842.db2.gz HOAVJUUMWZBEEB-UHFFFAOYSA-N 2 2 251.330 0.999 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1Cc2ccccc2[C@H]1O)C1CC1 ZINC000905709714 616131847 /nfs/dbraw/zinc/13/18/47/616131847.db2.gz ZEPNWZNBWRLYHU-NUEKZKHPSA-N 2 2 276.380 0.689 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1Cc2ccccc2[C@H]1O)C1CC1 ZINC000905709714 616131849 /nfs/dbraw/zinc/13/18/49/616131849.db2.gz ZEPNWZNBWRLYHU-NUEKZKHPSA-N 2 2 276.380 0.689 20 0 CCADLP C[N@H+](C[C@@H]1CCS(=O)(=O)C1)C[C@@H]1CCCC[NH2+]C1 ZINC000903733692 616145318 /nfs/dbraw/zinc/14/53/18/616145318.db2.gz MQWIKPZEBQUWBW-OLZOCXBDSA-N 2 2 274.430 0.743 20 0 CCADLP C[N@@H+](C[C@@H]1CCS(=O)(=O)C1)C[C@@H]1CCCC[NH2+]C1 ZINC000903733692 616145319 /nfs/dbraw/zinc/14/53/19/616145319.db2.gz MQWIKPZEBQUWBW-OLZOCXBDSA-N 2 2 274.430 0.743 20 0 CCADLP C[NH+]1CCC(CNC(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000865094691 616169913 /nfs/dbraw/zinc/16/99/13/616169913.db2.gz GLEYNPYQZYIVIA-NSCUHMNNSA-N 2 2 281.400 0.333 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)OC3COC3)C2)CC1 ZINC000902860663 616172688 /nfs/dbraw/zinc/17/26/88/616172688.db2.gz BLPYHCHNVVPGMA-NSHDSACASA-N 2 2 283.372 0.280 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)OC3COC3)C2)CC1 ZINC000902860663 616172689 /nfs/dbraw/zinc/17/26/89/616172689.db2.gz BLPYHCHNVVPGMA-NSHDSACASA-N 2 2 283.372 0.280 20 0 CCADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C2OCCO2)CC1 ZINC000933896628 616173076 /nfs/dbraw/zinc/17/30/76/616173076.db2.gz OSOJRAUWQCPYGA-ZDUSSCGKSA-N 2 2 297.399 0.034 20 0 CCADLP C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2C2OCCO2)CC1 ZINC000933896628 616173077 /nfs/dbraw/zinc/17/30/77/616173077.db2.gz OSOJRAUWQCPYGA-ZDUSSCGKSA-N 2 2 297.399 0.034 20 0 CCADLP C[NH+]1CCC([C@H]2CCN(C(=O)[C@H](O)c3c[nH+]c[nH]3)C2)CC1 ZINC000866976569 616176410 /nfs/dbraw/zinc/17/64/10/616176410.db2.gz FEIUBGZWBLIWMZ-GXTWGEPZSA-N 2 2 292.383 0.633 20 0 CCADLP CN1CCC[C@H]([N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)C1=O ZINC000879580779 616206644 /nfs/dbraw/zinc/20/66/44/616206644.db2.gz KKMYEAJOBWUJAQ-XQQFMLRXSA-N 2 2 251.374 0.633 20 0 CCADLP 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/nfs/dbraw/zinc/57/28/66/623572866.db2.gz ODJAEFKWABJVER-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)N(C)[C@H]2CCC[N@@H+](C)C2)CCO1 ZINC000892596237 623572876 /nfs/dbraw/zinc/57/28/76/623572876.db2.gz ODJAEFKWABJVER-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001026927292 625663438 /nfs/dbraw/zinc/66/34/38/625663438.db2.gz LOPOEBZCHQUSHV-OLZOCXBDSA-N 2 2 276.384 0.904 20 0 CCADLP Cn1cc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c(C2CC2)n1 ZINC000892670856 623653511 /nfs/dbraw/zinc/65/35/11/623653511.db2.gz YPXIAXRKGQDYKI-AWEZNQCLSA-N 2 2 278.400 0.844 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC)C1 ZINC001026973069 625675633 /nfs/dbraw/zinc/67/56/33/625675633.db2.gz VHGHZWFVVVFUHL-CABCVRRESA-N 2 2 297.443 0.945 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC)C1 ZINC001026973069 625675634 /nfs/dbraw/zinc/67/56/34/625675634.db2.gz VHGHZWFVVVFUHL-CABCVRRESA-N 2 2 297.443 0.945 20 0 CCADLP CC[C@@H](F)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001025719370 623876209 /nfs/dbraw/zinc/87/62/09/623876209.db2.gz MHXIMOOOWHMDGG-DGTMBMJNSA-N 2 2 299.390 0.112 20 0 CCADLP CC[C@@H](F)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001025719370 623876211 /nfs/dbraw/zinc/87/62/11/623876211.db2.gz MHXIMOOOWHMDGG-DGTMBMJNSA-N 2 2 299.390 0.112 20 0 CCADLP CC[C@@H](F)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001025719370 623876212 /nfs/dbraw/zinc/87/62/12/623876212.db2.gz MHXIMOOOWHMDGG-DGTMBMJNSA-N 2 2 299.390 0.112 20 0 CCADLP CC[C@@H](F)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001025719370 623876214 /nfs/dbraw/zinc/87/62/14/623876214.db2.gz MHXIMOOOWHMDGG-DGTMBMJNSA-N 2 2 299.390 0.112 20 0 CCADLP CS[C@H]1CN(c2nc(N)cc(C)[nH+]2)C[C@@H]1[NH+](C)C ZINC000893001899 623957965 /nfs/dbraw/zinc/95/79/65/623957965.db2.gz PNUSXCFGEHUVED-UWVGGRQHSA-N 2 2 267.402 0.849 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC001020637548 624556771 /nfs/dbraw/zinc/55/67/71/624556771.db2.gz XLHIPPFSDOLCGG-YRGRVCCFSA-N 2 2 292.383 0.758 20 0 CCADLP Cc1nocc1C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000970103597 624603180 /nfs/dbraw/zinc/60/31/80/624603180.db2.gz QCZPOCCWIYQANG-GFCCVEGCSA-N 2 2 289.339 0.639 20 0 CCADLP Cc1cc(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)nc(N)[nH+]1 ZINC000804809095 624637890 /nfs/dbraw/zinc/63/78/90/624637890.db2.gz OEAFVFWTMULZPI-RYUDHWBXSA-N 2 2 277.372 0.667 20 0 CCADLP Cc1noc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC000970711623 624736120 /nfs/dbraw/zinc/73/61/20/624736120.db2.gz GPVKMPFWDGHUOL-NWDGAFQWSA-N 2 2 293.371 0.020 20 0 CCADLP Cc1noc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC000970711623 624736124 /nfs/dbraw/zinc/73/61/24/624736124.db2.gz GPVKMPFWDGHUOL-NWDGAFQWSA-N 2 2 293.371 0.020 20 0 CCADLP Cc1noc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC000970711624 624736187 /nfs/dbraw/zinc/73/61/87/624736187.db2.gz GPVKMPFWDGHUOL-VXGBXAGGSA-N 2 2 293.371 0.020 20 0 CCADLP Cc1noc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC000970711624 624736189 /nfs/dbraw/zinc/73/61/89/624736189.db2.gz GPVKMPFWDGHUOL-VXGBXAGGSA-N 2 2 293.371 0.020 20 0 CCADLP CCS(=O)(=O)CC[NH2+]CCCCn1cc[nH+]c1 ZINC000045107122 624759012 /nfs/dbraw/zinc/75/90/12/624759012.db2.gz XINCFTLZGOJKJE-UHFFFAOYSA-N 2 2 259.375 0.688 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]2C[N@H+](CCO)CC[C@@H]21 ZINC001021704628 624813937 /nfs/dbraw/zinc/81/39/37/624813937.db2.gz UEJVMQCNHNPYNF-OLZOCXBDSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]2C[N@@H+](CCO)CC[C@@H]21 ZINC001021704628 624813938 /nfs/dbraw/zinc/81/39/38/624813938.db2.gz UEJVMQCNHNPYNF-OLZOCXBDSA-N 2 2 292.383 0.257 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC2(CC1)C[C@@H](O)CCO2)C1CC1 ZINC000933054006 624822847 /nfs/dbraw/zinc/82/28/47/624822847.db2.gz FJYBFBMTCMPSEY-LSDHHAIUSA-N 2 2 298.427 0.447 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC2(CC1)C[C@@H](O)CCO2)C1CC1 ZINC000933054006 624822848 /nfs/dbraw/zinc/82/28/48/624822848.db2.gz FJYBFBMTCMPSEY-LSDHHAIUSA-N 2 2 298.427 0.447 20 0 CCADLP C[C@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](C)[NH+]1CCOCC1 ZINC000891515600 624881166 /nfs/dbraw/zinc/88/11/66/624881166.db2.gz BRROSJXBTAJLJX-XDQVBPFNSA-N 2 2 296.415 0.241 20 0 CCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000891529124 624882658 /nfs/dbraw/zinc/88/26/58/624882658.db2.gz UOXNFJYEOJDWBP-UONOGXRCSA-N 2 2 297.447 0.145 20 0 CCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891707201 624909629 /nfs/dbraw/zinc/90/96/29/624909629.db2.gz CBNFUPIVVRHEPC-AVGNSLFASA-N 2 2 287.367 0.416 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000891818913 624936628 /nfs/dbraw/zinc/93/66/28/624936628.db2.gz NDVKRBPMBCCODL-UTUOFQBUSA-N 2 2 277.372 0.767 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000891896109 624987605 /nfs/dbraw/zinc/98/76/05/624987605.db2.gz SIOVAWALRCKZMP-UONOGXRCSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000891896109 624987606 /nfs/dbraw/zinc/98/76/06/624987606.db2.gz SIOVAWALRCKZMP-UONOGXRCSA-N 2 2 298.431 0.348 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933964113 624999708 /nfs/dbraw/zinc/99/97/08/624999708.db2.gz KLWKVQNBPIZESY-QWHCGFSZSA-N 2 2 251.330 0.681 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933964113 624999709 /nfs/dbraw/zinc/99/97/09/624999709.db2.gz KLWKVQNBPIZESY-QWHCGFSZSA-N 2 2 251.330 0.681 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000891999062 625021774 /nfs/dbraw/zinc/02/17/74/625021774.db2.gz JGXFXZOPMIHHBP-SNVBAGLBSA-N 2 2 251.334 0.219 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000892054338 625052368 /nfs/dbraw/zinc/05/23/68/625052368.db2.gz UMUXBWBCSLQPLW-UHFFFAOYSA-N 2 2 265.361 0.609 20 0 CCADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)COCC[NH3+] ZINC000093230647 625825348 /nfs/dbraw/zinc/82/53/48/625825348.db2.gz MCEKSCUSTCIGHK-NSHDSACASA-N 2 2 268.361 0.389 20 0 CCADLP COC[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001009714744 625912123 /nfs/dbraw/zinc/91/21/23/625912123.db2.gz GCSWOGIOZKNKIH-QWHCGFSZSA-N 2 2 280.372 0.499 20 0 CCADLP COC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001009714744 625912124 /nfs/dbraw/zinc/91/21/24/625912124.db2.gz GCSWOGIOZKNKIH-QWHCGFSZSA-N 2 2 280.372 0.499 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[N@H+](CCF)CC1(C)C ZINC000977592545 625951688 /nfs/dbraw/zinc/95/16/88/625951688.db2.gz DLYBGUVRPHOWJQ-LBPRGKRZSA-N 2 2 282.363 0.988 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[N@@H+](CCF)CC1(C)C ZINC000977592545 625951694 /nfs/dbraw/zinc/95/16/94/625951694.db2.gz DLYBGUVRPHOWJQ-LBPRGKRZSA-N 2 2 282.363 0.988 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903028408 634529149 /nfs/dbraw/zinc/52/91/49/634529149.db2.gz NYHHNXSXPXABJP-ZIAGYGMSSA-N 2 2 291.399 0.420 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903028408 634529159 /nfs/dbraw/zinc/52/91/59/634529159.db2.gz NYHHNXSXPXABJP-ZIAGYGMSSA-N 2 2 291.399 0.420 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000903441025 634562876 /nfs/dbraw/zinc/56/28/76/634562876.db2.gz HEQDDSIPSTUGRU-RFGFWPKPSA-N 2 2 254.374 0.722 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000903441025 634562880 /nfs/dbraw/zinc/56/28/80/634562880.db2.gz HEQDDSIPSTUGRU-RFGFWPKPSA-N 2 2 254.374 0.722 20 0 CCADLP CS(=O)(=O)CCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903484012 634579496 /nfs/dbraw/zinc/57/94/96/634579496.db2.gz NPAHKOOYFOEQMK-LLVKDONJSA-N 2 2 260.403 0.685 20 0 CCADLP [NH3+]C1(C[NH2+]CCS(=O)(=O)Nc2ccccc2)CCC1 ZINC000903744678 634640610 /nfs/dbraw/zinc/64/06/10/634640610.db2.gz VXDQBSHPMHZPKB-UHFFFAOYSA-N 2 2 283.397 0.899 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903778166 634649775 /nfs/dbraw/zinc/64/97/75/634649775.db2.gz JRCNSRDLDPLOEF-UPJWGTAASA-N 3 2 253.390 0.567 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903778166 634649779 /nfs/dbraw/zinc/64/97/79/634649779.db2.gz JRCNSRDLDPLOEF-UPJWGTAASA-N 3 2 253.390 0.567 20 0 CCADLP Cn1nccc1[C@@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000903824402 634658746 /nfs/dbraw/zinc/65/87/46/634658746.db2.gz PZVCIRZYFVAYAG-JSGCOSHPSA-N 2 2 292.383 0.314 20 0 CCADLP Cn1nccc1[C@@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000903824402 634658753 /nfs/dbraw/zinc/65/87/53/634658753.db2.gz PZVCIRZYFVAYAG-JSGCOSHPSA-N 2 2 292.383 0.314 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903874359 634674058 /nfs/dbraw/zinc/67/40/58/634674058.db2.gz YQGOGLKTMHVTFK-MJBXVCDLSA-N 3 2 292.431 0.762 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903874359 634674060 /nfs/dbraw/zinc/67/40/60/634674060.db2.gz YQGOGLKTMHVTFK-MJBXVCDLSA-N 3 2 292.431 0.762 20 0 CCADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903918453 634685906 /nfs/dbraw/zinc/68/59/06/634685906.db2.gz ZTQGOAVEWREOKZ-UONOGXRCSA-N 3 2 292.431 0.906 20 0 CCADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903918453 634685911 /nfs/dbraw/zinc/68/59/11/634685911.db2.gz ZTQGOAVEWREOKZ-UONOGXRCSA-N 3 2 292.431 0.906 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000903960546 634696610 /nfs/dbraw/zinc/69/66/10/634696610.db2.gz OOYWIZRQDDMKDM-BXUZGUMPSA-N 2 2 257.341 0.965 20 0 CCADLP C[C@]1(C[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)CCC[NH2+]C1 ZINC000904385524 634741827 /nfs/dbraw/zinc/74/18/27/634741827.db2.gz XWYDFFAGEMQMIB-RDBSUJKOSA-N 2 2 286.441 0.743 20 0 CCADLP C[C@]1(C[N@H+]2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)CCC[NH2+]C1 ZINC000904385524 634741830 /nfs/dbraw/zinc/74/18/30/634741830.db2.gz XWYDFFAGEMQMIB-RDBSUJKOSA-N 2 2 286.441 0.743 20 0 CCADLP O[C@@H](C[NH2+]CCCNc1cccc[nH+]1)C[C@]1(O)CCOC1 ZINC000905129126 634804672 /nfs/dbraw/zinc/80/46/72/634804672.db2.gz WDMKAQHNYIZLQF-UKRRQHHQSA-N 2 2 295.383 0.376 20 0 CCADLP C[C@H]([NH2+]CC1CC1)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC000979443344 630927959 /nfs/dbraw/zinc/92/79/59/630927959.db2.gz JKCSLKOTLHNSFT-GXTWGEPZSA-N 2 2 292.383 0.499 20 0 CCADLP Cc1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cnc1F ZINC000893607246 631024533 /nfs/dbraw/zinc/02/45/33/631024533.db2.gz WNZRBTMIJQSUGK-ZDUSSCGKSA-N 2 2 253.321 0.685 20 0 CCADLP Cc1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cnc1F ZINC000893607246 631024539 /nfs/dbraw/zinc/02/45/39/631024539.db2.gz WNZRBTMIJQSUGK-ZDUSSCGKSA-N 2 2 253.321 0.685 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000925822294 631324370 /nfs/dbraw/zinc/32/43/70/631324370.db2.gz LDGKVXINXDALDM-ASEORRQLSA-N 2 2 254.374 0.911 20 0 CCADLP Cn1cncc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010368877 631351195 /nfs/dbraw/zinc/35/11/95/631351195.db2.gz HRDDVVDVFMZKNH-OCCSQVGLSA-N 2 2 291.399 0.205 20 0 CCADLP Cn1cncc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010368877 631351204 /nfs/dbraw/zinc/35/12/04/631351204.db2.gz HRDDVVDVFMZKNH-OCCSQVGLSA-N 2 2 291.399 0.205 20 0 CCADLP Cn1cncc1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001010368877 631351209 /nfs/dbraw/zinc/35/12/09/631351209.db2.gz HRDDVVDVFMZKNH-OCCSQVGLSA-N 2 2 291.399 0.205 20 0 CCADLP Cn1cncc1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001010368877 631351212 /nfs/dbraw/zinc/35/12/12/631351212.db2.gz HRDDVVDVFMZKNH-OCCSQVGLSA-N 2 2 291.399 0.205 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[N@@H+](C[C@H](C)O)CC1 ZINC000982143403 631379571 /nfs/dbraw/zinc/37/95/71/631379571.db2.gz VQRMIPHJBDJPOQ-OLZOCXBDSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[N@H+](C[C@H](C)O)CC1 ZINC000982143403 631379575 /nfs/dbraw/zinc/37/95/75/631379575.db2.gz VQRMIPHJBDJPOQ-OLZOCXBDSA-N 2 2 294.399 0.503 20 0 CCADLP COCCOCCOCC[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000124907937 631420207 /nfs/dbraw/zinc/42/02/07/631420207.db2.gz IXUFJVRMMOHBMT-ZIAGYGMSSA-N 2 2 274.405 0.868 20 0 CCADLP COCCOCCOCC[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000124907937 631420208 /nfs/dbraw/zinc/42/02/08/631420208.db2.gz IXUFJVRMMOHBMT-ZIAGYGMSSA-N 2 2 274.405 0.868 20 0 CCADLP C[C@H]([NH2+]C[C@@H](O)c1ccnn1C)[C@H]1CCCC[NH2+]1 ZINC000925891724 631435869 /nfs/dbraw/zinc/43/58/69/631435869.db2.gz XHLLPKDJQDTSLC-DMDPSCGWSA-N 2 2 252.362 0.574 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928093153 631684499 /nfs/dbraw/zinc/68/44/99/631684499.db2.gz KEDJAGAVVUJGIS-STQMWFEESA-N 2 2 294.424 0.969 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928093153 631684505 /nfs/dbraw/zinc/68/45/05/631684505.db2.gz KEDJAGAVVUJGIS-STQMWFEESA-N 2 2 294.424 0.969 20 0 CCADLP O=C(NCC1C[NH2+]C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000262029169 631771619 /nfs/dbraw/zinc/77/16/19/631771619.db2.gz ODGKFCQIIZJETK-UHFFFAOYSA-N 2 2 256.309 0.822 20 0 CCADLP Cc1cc(N)nc(NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)[nH+]1 ZINC000894521238 631782483 /nfs/dbraw/zinc/78/24/83/631782483.db2.gz KZXRJICATQFJKH-WDEREUQCSA-N 2 2 265.361 0.888 20 0 CCADLP Cc1cc(N)nc(NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)[nH+]1 ZINC000894521238 631782488 /nfs/dbraw/zinc/78/24/88/631782488.db2.gz KZXRJICATQFJKH-WDEREUQCSA-N 2 2 265.361 0.888 20 0 CCADLP Cc1nc(N2CC[C@@](O)(C[NH+](C)C)C2)c(C)c(C)[nH+]1 ZINC000895008869 631894206 /nfs/dbraw/zinc/89/42/06/631894206.db2.gz HCFXNEHZZFWATE-CQSZACIVSA-N 2 2 264.373 0.905 20 0 CCADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@H]1CC[NH+]1C(C)(C)C ZINC000909436836 631924493 /nfs/dbraw/zinc/92/44/93/631924493.db2.gz VNNJPPWCUSDQIL-CHWSQXEVSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@H]1CC[NH+]1C(C)(C)C ZINC000909436836 631924499 /nfs/dbraw/zinc/92/44/99/631924499.db2.gz VNNJPPWCUSDQIL-CHWSQXEVSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000909436836 631924508 /nfs/dbraw/zinc/92/45/08/631924508.db2.gz VNNJPPWCUSDQIL-CHWSQXEVSA-N 2 2 283.416 0.384 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@H](C)[NH+](C)C)c[nH+]1 ZINC000895682939 632132760 /nfs/dbraw/zinc/13/27/60/632132760.db2.gz YGQKDSWFBKPJHZ-NSHDSACASA-N 2 2 252.362 0.993 20 0 CCADLP O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CC[NH+](C2CC2)CC1 ZINC000895940436 632181506 /nfs/dbraw/zinc/18/15/06/632181506.db2.gz OFPLGJAHAGFKCN-AWEZNQCLSA-N 2 2 279.384 0.014 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CC2)C1 ZINC000985035770 632353576 /nfs/dbraw/zinc/35/35/76/632353576.db2.gz ZSKINRWJNUJEHW-JOCQHMNTSA-N 2 2 276.384 0.857 20 0 CCADLP O=C(N[C@H]1CCC[N@@H+](CCF)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001007351986 650074993 /nfs/dbraw/zinc/07/49/93/650074993.db2.gz XPRXVAALGOWGIA-UONOGXRCSA-N 2 2 283.391 0.878 20 0 CCADLP O=C(N[C@H]1CCC[N@H+](CCF)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001007351986 650074995 /nfs/dbraw/zinc/07/49/95/650074995.db2.gz XPRXVAALGOWGIA-UONOGXRCSA-N 2 2 283.391 0.878 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@H]1C ZINC000986217120 632731191 /nfs/dbraw/zinc/73/11/91/632731191.db2.gz XDMYTRQZTAHOTF-WDEREUQCSA-N 2 2 250.346 0.941 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCF)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000988742973 633100427 /nfs/dbraw/zinc/10/04/27/633100427.db2.gz JAATWAHSDIOOGI-QWRGUYRKSA-N 2 2 268.336 0.891 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCO)CN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000989043210 633139444 /nfs/dbraw/zinc/13/94/44/633139444.db2.gz RSYSUAWVJHVTRZ-JQWIXIFHSA-N 2 2 288.351 0.748 20 0 CCADLP C[C@H](O)C[N@@H+]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000989486056 633316600 /nfs/dbraw/zinc/31/66/00/633316600.db2.gz FAUSGZFBHPWPSE-LBPRGKRZSA-N 2 2 294.399 0.602 20 0 CCADLP C[C@H](O)C[N@H+]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000989486056 633316609 /nfs/dbraw/zinc/31/66/09/633316609.db2.gz FAUSGZFBHPWPSE-LBPRGKRZSA-N 2 2 294.399 0.602 20 0 CCADLP CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000989614170 633336419 /nfs/dbraw/zinc/33/64/19/633336419.db2.gz DBBRSLVORKHEPH-MNOVXSKESA-N 2 2 250.346 0.941 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCF)CN1C(=O)Cc1c[nH+]cn1C ZINC000989679485 633344558 /nfs/dbraw/zinc/34/45/58/633344558.db2.gz KYJAYOCCGXXJCB-WDEREUQCSA-N 2 2 268.336 0.511 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000899249387 633773918 /nfs/dbraw/zinc/77/39/18/633773918.db2.gz YSPRIWHNJIIDNM-WHOHXGKFSA-N 2 2 263.345 0.464 20 0 CCADLP C/C(=C/C(=O)N(C)C1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000899909120 633918674 /nfs/dbraw/zinc/91/86/74/633918674.db2.gz KQTKOSHWYHTNHY-OWBHPGMISA-N 2 2 295.427 0.818 20 0 CCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C12CC[NH+](CC1)C2 ZINC000900134514 633952898 /nfs/dbraw/zinc/95/28/98/633952898.db2.gz HIWIYFXRVIXTRM-UHFFFAOYSA-N 2 2 288.395 0.974 20 0 CCADLP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C12CC[NH+](CC1)C2 ZINC000900307545 633988058 /nfs/dbraw/zinc/98/80/58/633988058.db2.gz LVBNRBNGKLMWIO-GFCCVEGCSA-N 2 2 263.385 0.683 20 0 CCADLP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C12CC[NH+](CC1)C2 ZINC000900307545 633988059 /nfs/dbraw/zinc/98/80/59/633988059.db2.gz LVBNRBNGKLMWIO-GFCCVEGCSA-N 2 2 263.385 0.683 20 0 CCADLP O[C@@H](C[NH2+]Cc1ccc2nonc2c1)C[NH+]1CCCC1 ZINC000905671570 634894660 /nfs/dbraw/zinc/89/46/60/634894660.db2.gz PQYIPGXPLCCVKD-LBPRGKRZSA-N 2 2 276.340 0.769 20 0 CCADLP [NH3+]C[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000911707327 636357846 /nfs/dbraw/zinc/35/78/46/636357846.db2.gz MIAJKSXWKRIFLT-RYUDHWBXSA-N 2 2 262.357 0.643 20 0 CCADLP [NH3+]CCOc1cccc(NC(=O)C[C@H]([NH3+])C(F)F)c1 ZINC000911761024 636380180 /nfs/dbraw/zinc/38/01/80/636380180.db2.gz IOUUCEIXMJAFPF-JTQLQIEISA-N 2 2 273.283 0.945 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000911801268 636393571 /nfs/dbraw/zinc/39/35/71/636393571.db2.gz ASKFTHIJAVVZFX-RNCFNFMXSA-N 2 2 250.346 0.832 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000911801268 636393574 /nfs/dbraw/zinc/39/35/74/636393574.db2.gz ASKFTHIJAVVZFX-RNCFNFMXSA-N 2 2 250.346 0.832 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CCO1 ZINC000911879958 636429821 /nfs/dbraw/zinc/42/98/21/636429821.db2.gz ITSSSMYLXGLHQK-LOWVWBTDSA-N 2 2 278.356 0.020 20 0 CCADLP C[C@H]([NH3+])[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC000911885589 636431997 /nfs/dbraw/zinc/43/19/97/636431997.db2.gz XZVDRRRNLHUBSU-TVQRCGJNSA-N 2 2 274.324 0.751 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@@H+]1CCCO ZINC000947860954 636884766 /nfs/dbraw/zinc/88/47/66/636884766.db2.gz CDERTGPLBGYEFM-RYUDHWBXSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@H+]1CCCO ZINC000947860954 636884771 /nfs/dbraw/zinc/88/47/71/636884771.db2.gz CDERTGPLBGYEFM-RYUDHWBXSA-N 2 2 280.372 0.304 20 0 CCADLP Cc1ccc(NC(=O)C(=O)NCC[NH+](C)C)c(N(C)C)[nH+]1 ZINC000156881896 636886774 /nfs/dbraw/zinc/88/67/74/636886774.db2.gz HGJNWAZDDZHOBZ-UHFFFAOYSA-N 2 2 293.371 0.072 20 0 CCADLP O[C@@H](C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)C[C@@]1(O)CCOC1 ZINC000929803299 637570128 /nfs/dbraw/zinc/57/01/28/637570128.db2.gz GKSRDPHVZXSCGB-HIFRSBDPSA-N 2 2 295.383 0.492 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@@H]([NH2+]CCO)[C@H]2C1 ZINC000992880490 637631079 /nfs/dbraw/zinc/63/10/79/637631079.db2.gz VRFIMBIAYVYKBI-RWMBFGLXSA-N 2 2 292.383 0.161 20 0 CCADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCN1CCOCC1(C)C ZINC000925477361 638122951 /nfs/dbraw/zinc/12/29/51/638122951.db2.gz JIELNNVVJOXQAO-CHWSQXEVSA-N 2 2 255.406 0.827 20 0 CCADLP C[C@H]1C[N@H+](CCF)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945807220 638795509 /nfs/dbraw/zinc/79/55/09/638795509.db2.gz HZILZFGAOMTSNZ-NWDGAFQWSA-N 2 2 268.336 0.679 20 0 CCADLP C[C@H]1C[N@@H+](CCF)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945807220 638795511 /nfs/dbraw/zinc/79/55/11/638795511.db2.gz HZILZFGAOMTSNZ-NWDGAFQWSA-N 2 2 268.336 0.679 20 0 CCADLP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC000996354970 638816544 /nfs/dbraw/zinc/81/65/44/638816544.db2.gz KPFBSVHHGMZWFB-CMPLNLGQSA-N 2 2 280.372 0.160 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000999323357 638974687 /nfs/dbraw/zinc/97/46/87/638974687.db2.gz PPZNEIUSAFGKOU-AAEUAGOBSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000999323357 638974689 /nfs/dbraw/zinc/97/46/89/638974689.db2.gz PPZNEIUSAFGKOU-AAEUAGOBSA-N 2 2 280.372 0.304 20 0 CCADLP COC[C@@H](C)[NH+]1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001003847347 639634741 /nfs/dbraw/zinc/63/47/41/639634741.db2.gz WHJRZZJKLYOHFK-LLVKDONJSA-N 2 2 280.372 0.568 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)no1 ZINC001015028253 650516819 /nfs/dbraw/zinc/51/68/19/650516819.db2.gz NYFZPYCASHESQC-GFCCVEGCSA-N 2 2 292.383 0.950 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)no1 ZINC001015028253 650516821 /nfs/dbraw/zinc/51/68/21/650516821.db2.gz NYFZPYCASHESQC-GFCCVEGCSA-N 2 2 292.383 0.950 20 0 CCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCN(c3cncc(F)c3)CC2)C1 ZINC000923377162 640111344 /nfs/dbraw/zinc/11/13/44/640111344.db2.gz RYORVDONUMBBRY-UBHSHLNASA-N 2 2 280.347 0.193 20 0 CCADLP C[C@@H]1CC[N@H+](C[C@H](O)Cn2cccn2)[C@H](C[NH3+])C1 ZINC000923388354 640118789 /nfs/dbraw/zinc/11/87/89/640118789.db2.gz INLOUIQGZSJFDO-AGIUHOORSA-N 2 2 252.362 0.303 20 0 CCADLP C[C@@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)[C@H](C[NH3+])C1 ZINC000923388354 640118794 /nfs/dbraw/zinc/11/87/94/640118794.db2.gz INLOUIQGZSJFDO-AGIUHOORSA-N 2 2 252.362 0.303 20 0 CCADLP O=C1NCC[C@@H]2CCC[N@H+](CCC[NH2+]C3CC3)[C@H]12 ZINC000923425880 640132024 /nfs/dbraw/zinc/13/20/24/640132024.db2.gz KBAMDZLSAVGKCX-AAEUAGOBSA-N 2 2 251.374 0.729 20 0 CCADLP O=C1NCC[C@@H]2CCC[N@@H+](CCC[NH2+]C3CC3)[C@H]12 ZINC000923425880 640132030 /nfs/dbraw/zinc/13/20/30/640132030.db2.gz KBAMDZLSAVGKCX-AAEUAGOBSA-N 2 2 251.374 0.729 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)N(C)C[C@H]2CCC[NH+]2C)CCO1 ZINC000817776036 641272875 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CC[C@@H](C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1)OC ZINC001015996760 650672171 /nfs/dbraw/zinc/67/21/71/650672171.db2.gz PUKCZCWYSSGVMO-JSGCOSHPSA-N 2 2 294.399 0.578 20 0 CCADLP CC[C@@H](C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1)OC ZINC001015996760 650672172 /nfs/dbraw/zinc/67/21/72/650672172.db2.gz PUKCZCWYSSGVMO-JSGCOSHPSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000824289937 641816473 /nfs/dbraw/zinc/81/64/73/641816473.db2.gz DOYIWEUETLMYHZ-MELADBBJSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000824289937 641816474 /nfs/dbraw/zinc/81/64/74/641816474.db2.gz DOYIWEUETLMYHZ-MELADBBJSA-N 2 2 283.416 0.696 20 0 CCADLP COc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)ncn1 ZINC000824958273 641856274 /nfs/dbraw/zinc/85/62/74/641856274.db2.gz UKJYZNDHKKTLEV-UHFFFAOYSA-N 2 2 295.387 0.099 20 0 CCADLP COc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)ncn1 ZINC000824958273 641856279 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C[C@H](F)CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016395864 650725233 /nfs/dbraw/zinc/72/52/33/650725233.db2.gz AQOVIYZPJNPQMP-NWDGAFQWSA-N 2 2 268.336 0.822 20 0 CCADLP C[C@H](F)CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016395864 650725234 /nfs/dbraw/zinc/72/52/34/650725234.db2.gz AQOVIYZPJNPQMP-NWDGAFQWSA-N 2 2 268.336 0.822 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001016398096 650725426 /nfs/dbraw/zinc/72/54/26/650725426.db2.gz QDVXQQJXDRGXCC-CYBMUJFWSA-N 2 2 262.357 0.874 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001016398096 650725428 /nfs/dbraw/zinc/72/54/28/650725428.db2.gz QDVXQQJXDRGXCC-CYBMUJFWSA-N 2 2 262.357 0.874 20 0 CCADLP O=C(N1CCC[C@H]1C[NH+]1CCOCC1)[C@@]1(F)CC[NH2+]C1 ZINC000830629906 642278607 /nfs/dbraw/zinc/27/86/07/642278607.db2.gz BVWULIKLPIUNII-GXTWGEPZSA-N 2 2 285.363 0.011 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)Cc1[nH]cc[nH+]1 ZINC000830752973 642290309 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C[C@@H]1C[N@@H+](CCCNC(=O)Cc2[nH]cc[nH+]2)CCCO1 ZINC000834448750 642567509 /nfs/dbraw/zinc/56/75/09/642567509.db2.gz QWFDFHOVVYPEOB-GFCCVEGCSA-N 2 2 280.372 0.569 20 0 CCADLP C[C@H]1C[N@H+](CCCNC(=O)Cc2[nH]cc[nH+]2)CCCO1 ZINC000834448751 642567868 /nfs/dbraw/zinc/56/78/68/642567868.db2.gz QWFDFHOVVYPEOB-LBPRGKRZSA-N 2 2 280.372 0.569 20 0 CCADLP C[C@H]1C[N@@H+](CCCNC(=O)Cc2[nH]cc[nH+]2)CCCO1 ZINC000834448751 642567871 /nfs/dbraw/zinc/56/78/71/642567871.db2.gz QWFDFHOVVYPEOB-LBPRGKRZSA-N 2 2 280.372 0.569 20 0 CCADLP Cc1ccc(NC(=O)N(C)C2C[NH2+]C2)c(N(C)C)[nH+]1 ZINC000841155494 642805688 /nfs/dbraw/zinc/80/56/88/642805688.db2.gz YWNGGZLWCQVKOI-UHFFFAOYSA-N 2 2 263.345 0.892 20 0 CCADLP [NH3+]CC[C@H]1CCCCN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000843476658 643071185 /nfs/dbraw/zinc/07/11/85/643071185.db2.gz IYPDQFUOARXBMB-SNVBAGLBSA-N 2 2 277.372 0.399 20 0 CCADLP C[C@@H](C[NH3+])C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000844188429 643176330 /nfs/dbraw/zinc/17/63/30/643176330.db2.gz URFFXDXRSYIGBB-VIFPVBQESA-N 2 2 263.332 0.769 20 0 CCADLP C[C@@H](C[NH3+])C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000844188429 643176333 /nfs/dbraw/zinc/17/63/33/643176333.db2.gz URFFXDXRSYIGBB-VIFPVBQESA-N 2 2 263.332 0.769 20 0 CCADLP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CCc2[nH+]ccn2C1 ZINC000848426455 643635712 /nfs/dbraw/zinc/63/57/12/643635712.db2.gz CPDQYGVPKXSUTP-NXEZZACHSA-N 2 2 284.310 0.559 20 0 CCADLP O[C@H](C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)C1CC1 ZINC000852010140 643914226 /nfs/dbraw/zinc/91/42/26/643914226.db2.gz UUCZHWAWRWCNDJ-LSDHHAIUSA-N 2 2 268.401 0.944 20 0 CCADLP O[C@H](C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)C1CC1 ZINC000852010140 643914230 /nfs/dbraw/zinc/91/42/30/643914230.db2.gz UUCZHWAWRWCNDJ-LSDHHAIUSA-N 2 2 268.401 0.944 20 0 CCADLP OCCOCC[N@H+](C[C@H](O)C[NH+]1CCCC1)C1CCC1 ZINC000852292003 643950836 /nfs/dbraw/zinc/95/08/36/643950836.db2.gz KFHDIJRFUBFLMN-OAHLLOKOSA-N 2 2 286.416 0.307 20 0 CCADLP OCCOCC[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1CCC1 ZINC000852292003 643950847 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O[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccccn1 ZINC000853098912 644073928 /nfs/dbraw/zinc/07/39/28/644073928.db2.gz QBCINJSMOUJSSH-UMVBOHGHSA-N 2 2 277.368 0.568 20 0 CCADLP Cc1cc(CO)cc(N2CCN(c3[nH+]ccn3C)CC2)[nH+]1 ZINC000853355813 644101658 /nfs/dbraw/zinc/10/16/58/644101658.db2.gz VRFHMBNKLNARBD-UHFFFAOYSA-N 2 2 287.367 0.942 20 0 CCADLP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)N1CC[NH+](C)CC1 ZINC000925490142 644412324 /nfs/dbraw/zinc/41/23/24/644412324.db2.gz AVCHIVZZGLGNAO-UONOGXRCSA-N 3 2 266.433 0.497 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]([NH2+]CCF)C1 ZINC001018949817 650923513 /nfs/dbraw/zinc/92/35/13/650923513.db2.gz PHBCEHMIAJKBOA-NSHDSACASA-N 2 2 254.309 0.502 20 0 CCADLP O[C@H](C[NH2+]Cc1ccnc(F)c1)C[NH+]1CCCC1 ZINC000858106702 644594096 /nfs/dbraw/zinc/59/40/96/644594096.db2.gz PBIYMHRISUMUQB-GFCCVEGCSA-N 2 2 253.321 0.767 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001019056254 650934241 /nfs/dbraw/zinc/93/42/41/650934241.db2.gz QMIRHELRZAVQDG-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP NC(=O)COc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000863482993 645099255 /nfs/dbraw/zinc/09/92/55/645099255.db2.gz NAJJIUKLGWQBOB-AWEZNQCLSA-N 2 2 289.379 0.925 20 0 CCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(N)=[NH2+])C2)cc1 ZINC000864358227 645216586 /nfs/dbraw/zinc/21/65/86/645216586.db2.gz PIWSILIFCYAFRH-CYBMUJFWSA-N 2 2 262.357 0.679 20 0 CCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(N)=[NH2+])C2)cc1 ZINC000864358227 645216590 /nfs/dbraw/zinc/21/65/90/645216590.db2.gz PIWSILIFCYAFRH-CYBMUJFWSA-N 2 2 262.357 0.679 20 0 CCADLP C[C@H]1CC[N@H+](CCNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000866272339 645513667 /nfs/dbraw/zinc/51/36/67/645513667.db2.gz VJFVWOACSYFSPA-HSWBROFVSA-N 2 2 281.400 0.333 20 0 CCADLP C[C@H]1CC[N@@H+](CCNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000866272339 645513672 /nfs/dbraw/zinc/51/36/72/645513672.db2.gz VJFVWOACSYFSPA-HSWBROFVSA-N 2 2 281.400 0.333 20 0 CCADLP C[C@H](CNC(=O)/C=C/C[NH+]1CCOCC1)C[NH+](C)C ZINC000868513696 645780190 /nfs/dbraw/zinc/78/01/90/645780190.db2.gz QBAIQNRTZCPNSC-MUBLQREKSA-N 2 2 269.389 0.189 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)CC[NH2+]CC1CC1 ZINC000870881083 646034528 /nfs/dbraw/zinc/03/45/28/646034528.db2.gz CCEQUGWSALHBSK-UHFFFAOYSA-N 2 2 283.416 0.603 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)CC[NH2+]CC1CC1 ZINC000870881083 646034531 /nfs/dbraw/zinc/03/45/31/646034531.db2.gz CCEQUGWSALHBSK-UHFFFAOYSA-N 2 2 283.416 0.603 20 0 CCADLP C[C@H](NC(=O)[C@H]1CC[C@@H]([NH3+])CC1)[C@H](C)[NH+]1CCOCC1 ZINC000870882464 646034976 /nfs/dbraw/zinc/03/49/76/646034976.db2.gz NRPDKNPIIKZQSX-XDQVBPFNSA-N 2 2 283.416 0.729 20 0 CCADLP [NH3+][C@@H](C(=O)NC[C@@H]1C[C@@H]([NH3+])C1)c1c(F)cccc1F ZINC000870971490 646066984 /nfs/dbraw/zinc/06/69/84/646066984.db2.gz BRWNTANUHIKKNC-DNSOKLHBSA-N 2 2 269.295 0.818 20 0 CCADLP Cc1[nH+]ccn1CCCO[NH+]=C(N)CCS(C)(=O)=O ZINC000871774524 646180760 /nfs/dbraw/zinc/18/07/60/646180760.db2.gz VAWSBWPQKROKJB-UHFFFAOYSA-N 2 2 288.373 0.515 20 0 CCADLP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000872304563 646243427 /nfs/dbraw/zinc/24/34/27/646243427.db2.gz YSFJVLHGZUIXGH-SOUVJXGZSA-N 2 2 295.427 0.827 20 0 CCADLP C[C@@H](C[NH3+])Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000872774943 646321905 /nfs/dbraw/zinc/32/19/05/646321905.db2.gz OBVZKAJZJBEBPI-WDEREUQCSA-N 2 2 265.361 0.444 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000873238984 646364474 /nfs/dbraw/zinc/36/44/74/646364474.db2.gz LCMQQEOWGMNZFN-UCGZNOEMSA-N 2 2 266.385 0.766 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873269483 646368757 /nfs/dbraw/zinc/36/87/57/646368757.db2.gz IBAAKTUQRSCRFQ-BZPMIXESSA-N 3 2 255.406 0.731 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876724027 646649127 /nfs/dbraw/zinc/64/91/27/646649127.db2.gz LGJKPRNKHCMIFM-WEHDMVHDSA-N 2 2 281.400 0.379 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)CCO1 ZINC000876745223 646655834 /nfs/dbraw/zinc/65/58/34/646655834.db2.gz AXNSJWSWQICCAJ-RWMBFGLXSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)CCO1 ZINC000876745223 646655835 /nfs/dbraw/zinc/65/58/35/646655835.db2.gz AXNSJWSWQICCAJ-RWMBFGLXSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H](NC(=O)[C@]12CCC[C@H]1[NH2+]CC2)[C@H](C)[NH+]1CCOCC1 ZINC000876756392 646658602 /nfs/dbraw/zinc/65/86/02/646658602.db2.gz TVLPNBXNHWNWIZ-CTASWTNQSA-N 2 2 295.427 0.744 20 0 CCADLP C[N@H+](CC(F)F)C1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000876774860 646661695 /nfs/dbraw/zinc/66/16/95/646661695.db2.gz JEJQEHYUIBZUNF-CMPLNLGQSA-N 2 2 291.342 0.291 20 0 CCADLP C[N@@H+](CC(F)F)C1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000876774860 646661697 /nfs/dbraw/zinc/66/16/97/646661697.db2.gz JEJQEHYUIBZUNF-CMPLNLGQSA-N 2 2 291.342 0.291 20 0 CCADLP [NH3+]C[C@H]1CC[C@H](CNC(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000876851819 646681151 /nfs/dbraw/zinc/68/11/51/646681151.db2.gz OVFNIPWOWWKYNJ-RMYBJWGCSA-N 2 2 295.427 0.756 20 0 CCADLP CC(C)(C)[C@H](C[NH3+])NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876913118 646694900 /nfs/dbraw/zinc/69/49/00/646694900.db2.gz AQIDFKXDKHOCNC-RXNFCKPNSA-N 2 2 269.389 0.364 20 0 CCADLP CC[C@@H](C)[C@@H](C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)OC ZINC000877651741 646831656 /nfs/dbraw/zinc/83/16/56/646831656.db2.gz KDEBDULZDCDCAD-HZSPNIEDSA-N 2 2 285.432 0.977 20 0 CCADLP CC[C@@H](C)[C@@H](C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)OC ZINC000877651741 646831660 /nfs/dbraw/zinc/83/16/60/646831660.db2.gz KDEBDULZDCDCAD-HZSPNIEDSA-N 2 2 285.432 0.977 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+](C)[C@@H]1CCCCNC1=O ZINC000878053454 646864535 /nfs/dbraw/zinc/86/45/35/646864535.db2.gz ZFWYAPUWIJDSBU-GFCCVEGCSA-N 2 2 250.346 0.563 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000878053454 646864538 /nfs/dbraw/zinc/86/45/38/646864538.db2.gz ZFWYAPUWIJDSBU-GFCCVEGCSA-N 2 2 250.346 0.563 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC([C@H](F)C(N)=O)CC1 ZINC000879044487 647018994 /nfs/dbraw/zinc/01/89/94/647018994.db2.gz RNGFGDOJOLKECX-STQMWFEESA-N 2 2 289.395 0.223 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC([C@H](F)C(N)=O)CC1 ZINC000879044487 647018999 /nfs/dbraw/zinc/01/89/99/647018999.db2.gz RNGFGDOJOLKECX-STQMWFEESA-N 2 2 289.395 0.223 20 0 CCADLP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CCc4ncnn43)CC[C@@H]21 ZINC000879578851 647076869 /nfs/dbraw/zinc/07/68/69/647076869.db2.gz HOZVTPXMNBTLGH-UPJWGTAASA-N 2 2 261.373 0.791 20 0 CCADLP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CCc4ncnn43)CC[C@@H]21 ZINC000879578851 647076872 /nfs/dbraw/zinc/07/68/72/647076872.db2.gz HOZVTPXMNBTLGH-UPJWGTAASA-N 2 2 261.373 0.791 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)CC[C@@H]21 ZINC000879578851 647076877 /nfs/dbraw/zinc/07/68/77/647076877.db2.gz HOZVTPXMNBTLGH-UPJWGTAASA-N 2 2 261.373 0.791 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CCc4ncnn43)CC[C@@H]21 ZINC000879578851 647076882 /nfs/dbraw/zinc/07/68/82/647076882.db2.gz HOZVTPXMNBTLGH-UPJWGTAASA-N 2 2 261.373 0.791 20 0 CCADLP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCc4ncnn43)CC[C@@H]21 ZINC000879578848 647077021 /nfs/dbraw/zinc/07/70/21/647077021.db2.gz HOZVTPXMNBTLGH-AGIUHOORSA-N 2 2 261.373 0.791 20 0 CCADLP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCc4ncnn43)CC[C@@H]21 ZINC000879578848 647077024 /nfs/dbraw/zinc/07/70/24/647077024.db2.gz HOZVTPXMNBTLGH-AGIUHOORSA-N 2 2 261.373 0.791 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)CC[C@@H]21 ZINC000879578848 647077028 /nfs/dbraw/zinc/07/70/28/647077028.db2.gz HOZVTPXMNBTLGH-AGIUHOORSA-N 2 2 261.373 0.791 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)CC[C@@H]21 ZINC000879578848 647077035 /nfs/dbraw/zinc/07/70/35/647077035.db2.gz HOZVTPXMNBTLGH-AGIUHOORSA-N 2 2 261.373 0.791 20 0 CCADLP C[C@@H](CO)C[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880254374 647174952 /nfs/dbraw/zinc/17/49/52/647174952.db2.gz UQMAVKPYJBHAJN-CYBMUJFWSA-N 2 2 283.416 0.421 20 0 CCADLP C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)CCN1c1cc[nH+]cc1 ZINC000880262673 647178133 /nfs/dbraw/zinc/17/81/33/647178133.db2.gz RRWGXIBRXOVBDC-YPMHNXCESA-N 2 2 260.341 0.481 20 0 CCADLP C[C@@H]1C[N@H+]([C@H]2CCNC2=O)CCN1c1cc[nH+]cc1 ZINC000880262673 647178134 /nfs/dbraw/zinc/17/81/34/647178134.db2.gz RRWGXIBRXOVBDC-YPMHNXCESA-N 2 2 260.341 0.481 20 0 CCADLP C[C@H]1NC(=O)N(CC[NH+]2CCC(C)([NH+]3CCC3)CC2)C1=O ZINC000880474934 647204986 /nfs/dbraw/zinc/20/49/86/647204986.db2.gz OJPMOQMKDUZJED-GFCCVEGCSA-N 2 2 294.399 0.487 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCC23CC(C2)C[NH2+]3)c[nH+]1 ZINC000884415131 647731092 /nfs/dbraw/zinc/73/10/92/647731092.db2.gz MEKHZACWPDPDGH-UHFFFAOYSA-N 2 2 262.357 0.795 20 0 CCADLP OC[C@@]1(C(F)(F)F)CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000886794812 648015180 /nfs/dbraw/zinc/01/51/80/648015180.db2.gz FCXZSMUNSVZXNR-VXGBXAGGSA-N 2 2 296.333 0.690 20 0 CCADLP OC[C@@]1(C(F)(F)F)CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000886794812 648015176 /nfs/dbraw/zinc/01/51/76/648015176.db2.gz FCXZSMUNSVZXNR-VXGBXAGGSA-N 2 2 296.333 0.690 20 0 CCADLP O=C(C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1)NC1CC1 ZINC000886865115 648026416 /nfs/dbraw/zinc/02/64/16/648026416.db2.gz AINIRUUBONXQCK-CQSZACIVSA-N 2 2 251.374 0.731 20 0 CCADLP O=C(C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1)NC1CC1 ZINC000886865115 648026424 /nfs/dbraw/zinc/02/64/24/648026424.db2.gz AINIRUUBONXQCK-CQSZACIVSA-N 2 2 251.374 0.731 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)CCO1 ZINC000886870500 648027871 /nfs/dbraw/zinc/02/78/71/648027871.db2.gz ZQTZDZKRYAOJMS-ZBFHGGJFSA-N 2 2 295.427 0.699 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)CCO1 ZINC000886870500 648027876 /nfs/dbraw/zinc/02/78/76/648027876.db2.gz ZQTZDZKRYAOJMS-ZBFHGGJFSA-N 2 2 295.427 0.699 20 0 CCADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CC1OCCO1 ZINC000887134844 648073009 /nfs/dbraw/zinc/07/30/09/648073009.db2.gz QZONWILLMRPCNU-LBPRGKRZSA-N 2 2 263.341 0.965 20 0 CCADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC1OCCO1 ZINC000887134844 648073018 /nfs/dbraw/zinc/07/30/18/648073018.db2.gz QZONWILLMRPCNU-LBPRGKRZSA-N 2 2 263.341 0.965 20 0 CCADLP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cnn(C)n1 ZINC000924628936 648374083 /nfs/dbraw/zinc/37/40/83/648374083.db2.gz MEWDKIBRIMSBQF-GFCCVEGCSA-N 2 2 280.420 0.492 20 0 CCADLP C[C@H]1[C@@H](NC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)CC[N@@H+]1C ZINC000925338762 648420300 /nfs/dbraw/zinc/42/03/00/648420300.db2.gz DMESIBDZINHJEJ-FQUUOJAGSA-N 2 2 296.415 0.241 20 0 CCADLP C[C@H]1[C@@H](NC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)CC[N@H+]1C ZINC000925338762 648420306 /nfs/dbraw/zinc/42/03/06/648420306.db2.gz DMESIBDZINHJEJ-FQUUOJAGSA-N 2 2 296.415 0.241 20 0 CCADLP C[C@H]1[C@@H](NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH+]1C ZINC000925338762 648420308 /nfs/dbraw/zinc/42/03/08/648420308.db2.gz DMESIBDZINHJEJ-FQUUOJAGSA-N 2 2 296.415 0.241 20 0 CCADLP C[C@H]1[C@@H](NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH+]1C ZINC000925338762 648420311 /nfs/dbraw/zinc/42/03/11/648420311.db2.gz DMESIBDZINHJEJ-FQUUOJAGSA-N 2 2 296.415 0.241 20 0 CCADLP C[C@H](CCS(C)(=O)=O)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925562123 648443686 /nfs/dbraw/zinc/44/36/86/648443686.db2.gz VBMAWNRYJWPUMP-GHMZBOCLSA-N 2 2 260.403 0.684 20 0 CCADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000925577789 648444620 /nfs/dbraw/zinc/44/46/20/648444620.db2.gz WNCXUWKCMQSJNN-MNOVXSKESA-N 2 2 260.403 0.541 20 0 CCADLP C[C@]1(C[NH2+][C@H]2C[NH2+]CCOC2)CCO[C@H]1C1CC1 ZINC000925639607 648449336 /nfs/dbraw/zinc/44/93/36/648449336.db2.gz CVNWZWTWAAXGCH-MELADBBJSA-N 2 2 254.374 0.770 20 0 CCADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000925712960 648456027 /nfs/dbraw/zinc/45/60/27/648456027.db2.gz WHMAGHAWIXNCFY-LMPOIIKSSA-N 3 2 280.460 0.933 20 0 CCADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000925712960 648456032 /nfs/dbraw/zinc/45/60/32/648456032.db2.gz WHMAGHAWIXNCFY-LMPOIIKSSA-N 3 2 280.460 0.933 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925839201 648465785 /nfs/dbraw/zinc/46/57/85/648465785.db2.gz GZFKIDFGBMNVBC-GBJTYRQASA-N 3 2 267.417 0.875 20 0 CCADLP Cc1cnccc1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000926082267 648484916 /nfs/dbraw/zinc/48/49/16/648484916.db2.gz BHLUSJLWBMMQQK-UHFFFAOYSA-N 2 2 277.372 0.357 20 0 CCADLP COc1cnc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)s1 ZINC000926109840 648487491 /nfs/dbraw/zinc/48/74/91/648487491.db2.gz NKQSRFRFLWQUFE-UHFFFAOYSA-N 2 2 299.400 0.696 20 0 CCADLP Cc1cccc(NCCNC(=O)NCC[NH+]2CCC2)[nH+]1 ZINC000927479013 648560237 /nfs/dbraw/zinc/56/02/37/648560237.db2.gz FHLJEOCCIBYQHX-UHFFFAOYSA-N 2 2 277.372 0.807 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000928431260 648630489 /nfs/dbraw/zinc/63/04/89/648630489.db2.gz MKCVDSSFYGSNTA-FOGDFJRCSA-N 2 2 250.346 0.797 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000928431260 648630493 /nfs/dbraw/zinc/63/04/93/648630493.db2.gz MKCVDSSFYGSNTA-FOGDFJRCSA-N 2 2 250.346 0.797 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000928431260 648630497 /nfs/dbraw/zinc/63/04/97/648630497.db2.gz MKCVDSSFYGSNTA-FOGDFJRCSA-N 2 2 250.346 0.797 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000928431260 648630501 /nfs/dbraw/zinc/63/05/01/648630501.db2.gz MKCVDSSFYGSNTA-FOGDFJRCSA-N 2 2 250.346 0.797 20 0 CCADLP C[C@@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)[NH+]1CCSCC1 ZINC000928440612 648634490 /nfs/dbraw/zinc/63/44/90/648634490.db2.gz LYNYGSMVZJRAFU-WOPDTQHZSA-N 2 2 271.430 0.633 20 0 CCADLP C[C@@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C)[NH+]1CCSCC1 ZINC000928440612 648634492 /nfs/dbraw/zinc/63/44/92/648634492.db2.gz LYNYGSMVZJRAFU-WOPDTQHZSA-N 2 2 271.430 0.633 20 0 CCADLP Cc1[nH]c(CN2CC[NH+](CC(C)(C)O)CC2)c(C)[nH+]1 ZINC000929492625 648745116 /nfs/dbraw/zinc/74/51/16/648745116.db2.gz KEKCNGDASLJYAM-UHFFFAOYSA-N 2 2 266.389 0.915 20 0 CCADLP C[C@@H]1NC(=O)[C@H](C)[N@H+](CCCn2cc[nH+]c2)[C@H]1C ZINC000930835239 648914004 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C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CN2CCCC2=O)C1 ZINC000246984974 649697699 /nfs/dbraw/zinc/69/76/99/649697699.db2.gz ORDMZEDLCPUDAJ-QWHCGFSZSA-N 2 2 251.374 0.982 20 0 CCADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2CN2CCCC2=O)C1 ZINC000246984974 649697700 /nfs/dbraw/zinc/69/77/00/649697700.db2.gz ORDMZEDLCPUDAJ-QWHCGFSZSA-N 2 2 251.374 0.982 20 0 CCADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2CN2CCCC2=O)C1 ZINC000246984974 649697702 /nfs/dbraw/zinc/69/77/02/649697702.db2.gz ORDMZEDLCPUDAJ-QWHCGFSZSA-N 2 2 251.374 0.982 20 0 CCADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1c1cc[nH+]c(N2CCOCC2)n1 ZINC000443512570 719216875 /nfs/dbraw/zinc/21/68/75/719216875.db2.gz VDCUYIFBOPIITB-STQMWFEESA-N 2 2 291.399 0.842 20 0 CCADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1cc[nH+]c(N2CCOCC2)n1 ZINC000443512570 719216880 /nfs/dbraw/zinc/21/68/80/719216880.db2.gz VDCUYIFBOPIITB-STQMWFEESA-N 2 2 291.399 0.842 20 0 CCADLP CCN(C)c1cc(C)[nH+]c(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC001164667187 719367865 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COCC[N@H+](C[C@@H](C)C(=O)OC)C1CC[NH+](C)CC1 ZINC001208717106 790450433 /nfs/dbraw/zinc/45/04/33/790450433.db2.gz DWFHQVZNHSZAON-GFCCVEGCSA-N 2 2 272.389 0.838 20 0 CCADLP COCC[N@@H+](C[C@@H](C)C(=O)OC)C1CC[NH+](C)CC1 ZINC001208717106 790450437 /nfs/dbraw/zinc/45/04/37/790450437.db2.gz DWFHQVZNHSZAON-GFCCVEGCSA-N 2 2 272.389 0.838 20 0 CCADLP CCOCCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001266353332 790573178 /nfs/dbraw/zinc/57/31/78/790573178.db2.gz UEJRWCIZYOIYPW-CYBMUJFWSA-N 2 2 294.399 0.580 20 0 CCADLP CCOCCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001266353332 790573185 /nfs/dbraw/zinc/57/31/85/790573185.db2.gz UEJRWCIZYOIYPW-CYBMUJFWSA-N 2 2 294.399 0.580 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]C[C@@H]1CCCCO1 ZINC001167350509 790949128 /nfs/dbraw/zinc/94/91/28/790949128.db2.gz YECXINLGRQDZQI-ZDUSSCGKSA-N 2 2 280.372 0.617 20 0 CCADLP C[C@H](CC(=O)NCCC[NH2+]Cc1cnon1)n1cc[nH+]c1 ZINC001167429636 791065233 /nfs/dbraw/zinc/06/52/33/791065233.db2.gz VRKOQQBIJCZGAR-LLVKDONJSA-N 2 2 292.343 0.513 20 0 CCADLP Cc1noc(C[NH+]2CCC3(CN(CC[NH+](C)C)C3)CC2)n1 ZINC001277594632 805877719 /nfs/dbraw/zinc/87/77/19/805877719.db2.gz KJDYJPBGRNTSIT-UHFFFAOYSA-N 2 2 293.415 0.837 20 0 CCADLP Cc1ncc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)o1 ZINC001233368269 806048123 /nfs/dbraw/zinc/04/81/23/806048123.db2.gz HDYMMVRBLMBPTN-GFCCVEGCSA-N 2 2 280.372 0.625 20 0 CCADLP Cc1ncc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)o1 ZINC001233368269 806048135 /nfs/dbraw/zinc/04/81/35/806048135.db2.gz HDYMMVRBLMBPTN-GFCCVEGCSA-N 2 2 280.372 0.625 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCC[C@@H](C[NH2+]CCCO)C1 ZINC001266802375 791247528 /nfs/dbraw/zinc/24/75/28/791247528.db2.gz ZFULYVONXYAESJ-AWEZNQCLSA-N 2 2 294.399 0.484 20 0 CCADLP CCOCC[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001266810646 791254883 /nfs/dbraw/zinc/25/48/83/791254883.db2.gz DAILRHYZVVSGOB-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP NC(=O)[C@]12CCC[C@H]1C[N@H+](CCCn1cc[nH+]c1)C2 ZINC000933752498 791333377 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C[N@@H+](C[C@H](O)C[NH3+])C[C@@H]1COc2ccccc2O1 ZINC000386625007 791615514 /nfs/dbraw/zinc/61/55/14/791615514.db2.gz OKBPGVRCFYPJMS-GHMZBOCLSA-N 2 2 252.314 0.078 20 0 CCADLP CC[C@H](C)[N@H+](C)CCNC(=O)C[C@@H]([NH3+])C(F)F ZINC000724714393 791702985 /nfs/dbraw/zinc/70/29/85/791702985.db2.gz AZLJKYMYOQYJMJ-DTWKUNHWSA-N 2 2 251.321 0.815 20 0 CCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C[C@@H]([NH3+])C(F)F ZINC000724714393 791702989 /nfs/dbraw/zinc/70/29/89/791702989.db2.gz AZLJKYMYOQYJMJ-DTWKUNHWSA-N 2 2 251.321 0.815 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1CCC[NH2+]C1)COc1ccc(F)cc1 ZINC001246012355 807115976 /nfs/dbraw/zinc/11/59/76/807115976.db2.gz ZKBPJUJQHAMCRQ-OLZOCXBDSA-N 2 2 268.332 0.907 20 0 CCADLP COCCOC[N@@H+]1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001277898036 806307354 /nfs/dbraw/zinc/30/73/54/806307354.db2.gz YTBLOCKNHZJCFQ-UHFFFAOYSA-N 2 2 285.432 0.566 20 0 CCADLP COCCOC[N@H+]1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001277898036 806307364 /nfs/dbraw/zinc/30/73/64/806307364.db2.gz YTBLOCKNHZJCFQ-UHFFFAOYSA-N 2 2 285.432 0.566 20 0 CCADLP Cc1cc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)ccc1O ZINC001235054399 806357115 /nfs/dbraw/zinc/35/71/15/806357115.db2.gz NEJKKXFZMBWJPR-OAHLLOKOSA-N 2 2 261.369 0.838 20 0 CCADLP Cc1cc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)ccc1O ZINC001235054399 806357123 /nfs/dbraw/zinc/35/71/23/806357123.db2.gz NEJKKXFZMBWJPR-OAHLLOKOSA-N 2 2 261.369 0.838 20 0 CCADLP c1ncn(-c2cccc(C[N@@H+]3CCN[C@]4(CC[NH2+]C4)C3)c2)n1 ZINC001235062228 806364005 /nfs/dbraw/zinc/36/40/05/806364005.db2.gz OSPIFJWNEQRMRD-INIZCTEOSA-N 2 2 298.394 0.405 20 0 CCADLP c1ncn(-c2cccc(C[N@H+]3CCN[C@]4(CC[NH2+]C4)C3)c2)n1 ZINC001235062228 806364015 /nfs/dbraw/zinc/36/40/15/806364015.db2.gz OSPIFJWNEQRMRD-INIZCTEOSA-N 2 2 298.394 0.405 20 0 CCADLP c1c(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)sc2c1CC[NH2+]C2 ZINC001235062056 806364089 /nfs/dbraw/zinc/36/40/89/806364089.db2.gz NXGCQDOJYABNEZ-HNNXBMFYSA-N 3 2 292.452 0.531 20 0 CCADLP c1c(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)sc2c1CC[NH2+]C2 ZINC001235062056 806364103 /nfs/dbraw/zinc/36/41/03/806364103.db2.gz NXGCQDOJYABNEZ-HNNXBMFYSA-N 3 2 292.452 0.531 20 0 CCADLP C(C[NH2+]C1CCCCC1)C[N@@H+]1C[C@@H]2COC[C@H](C1)N2 ZINC001235297192 806400914 /nfs/dbraw/zinc/40/09/14/806400914.db2.gz FNFCCPJVRZBEKS-GASCZTMLSA-N 2 2 267.417 0.971 20 0 CCADLP C(C[NH2+]C1CCCCC1)C[N@H+]1C[C@@H]2COC[C@H](C1)N2 ZINC001235297192 806400917 /nfs/dbraw/zinc/40/09/17/806400917.db2.gz FNFCCPJVRZBEKS-GASCZTMLSA-N 2 2 267.417 0.971 20 0 CCADLP CN(C[C@H]1CC[N@@H+]1CCF)C(=O)C[NH+](C)C1CCC1 ZINC001235411950 806418503 /nfs/dbraw/zinc/41/85/03/806418503.db2.gz ZVHCFPZFKCUWSI-CYBMUJFWSA-N 2 2 271.380 0.973 20 0 CCADLP CN(C[C@H]1CC[N@H+]1CCF)C(=O)C[NH+](C)C1CCC1 ZINC001235411950 806418506 /nfs/dbraw/zinc/41/85/06/806418506.db2.gz ZVHCFPZFKCUWSI-CYBMUJFWSA-N 2 2 271.380 0.973 20 0 CCADLP CN(C[C@H]1CC[NH+]1CCF)C(=O)C[N@H+](C)C1CCC1 ZINC001235411950 806418508 /nfs/dbraw/zinc/41/85/08/806418508.db2.gz ZVHCFPZFKCUWSI-CYBMUJFWSA-N 2 2 271.380 0.973 20 0 CCADLP CN(C[C@H]1CC[NH+]1CCF)C(=O)C[N@@H+](C)C1CCC1 ZINC001235411950 806418510 /nfs/dbraw/zinc/41/85/10/806418510.db2.gz ZVHCFPZFKCUWSI-CYBMUJFWSA-N 2 2 271.380 0.973 20 0 CCADLP CC1(C)[NH2+]C[C@@H](CN2CC[NH+](Cc3ccccn3)CC2)O1 ZINC001235489500 806433937 /nfs/dbraw/zinc/43/39/37/806433937.db2.gz IGVJMALZLZUSGA-HNNXBMFYSA-N 2 2 290.411 0.924 20 0 CCADLP CCO[C@@H]1C[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)[C@@H]2CCCO[C@H]12 ZINC001235498282 806435261 /nfs/dbraw/zinc/43/52/61/806435261.db2.gz OYXQEOZBZWFYNU-DGAVXFQQSA-N 2 2 284.400 0.979 20 0 CCADLP CCO[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)[C@@H]2CCCO[C@H]12 ZINC001235498282 806435264 /nfs/dbraw/zinc/43/52/64/806435264.db2.gz OYXQEOZBZWFYNU-DGAVXFQQSA-N 2 2 284.400 0.979 20 0 CCADLP CC[C@@H]1[N@H+](CC[NH3+])CCC[C@]12CCC(=O)N2CCOC ZINC001235539486 806449699 /nfs/dbraw/zinc/44/96/99/806449699.db2.gz VXIHZJZZVNNSPM-ZFWWWQNUSA-N 2 2 283.416 0.827 20 0 CCADLP CC[C@@H]1[N@@H+](CC[NH3+])CCC[C@]12CCC(=O)N2CCOC ZINC001235539486 806449701 /nfs/dbraw/zinc/44/97/01/806449701.db2.gz VXIHZJZZVNNSPM-ZFWWWQNUSA-N 2 2 283.416 0.827 20 0 CCADLP OCCC[N@@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001235552540 806455262 /nfs/dbraw/zinc/45/52/62/806455262.db2.gz NOFOEODEXWBNPN-UHFFFAOYSA-N 2 2 276.344 0.111 20 0 CCADLP OCCC[N@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001235552540 806455266 /nfs/dbraw/zinc/45/52/66/806455266.db2.gz NOFOEODEXWBNPN-UHFFFAOYSA-N 2 2 276.344 0.111 20 0 CCADLP [NH3+]CC[N@@H+]1C[C@H]2CN(c3ccsc3)C(=O)[C@H]2C1 ZINC001235619840 806474524 /nfs/dbraw/zinc/47/45/24/806474524.db2.gz UZIPJFCTAIBERS-ONGXEEELSA-N 2 2 251.355 0.601 20 0 CCADLP [NH3+]CC[N@H+]1C[C@H]2CN(c3ccsc3)C(=O)[C@H]2C1 ZINC001235619840 806474528 /nfs/dbraw/zinc/47/45/28/806474528.db2.gz UZIPJFCTAIBERS-ONGXEEELSA-N 2 2 251.355 0.601 20 0 CCADLP [NH3+]CC[NH+]1CCC2(CC1)C(=O)N[C@@H]2c1ccccc1 ZINC001235652154 806482775 /nfs/dbraw/zinc/48/27/75/806482775.db2.gz FLSAXGPFPYGEJP-CYBMUJFWSA-N 2 2 259.353 0.898 20 0 CCADLP C[C@H](O)C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001277959786 806485729 /nfs/dbraw/zinc/48/57/29/806485729.db2.gz VKOZRUYKRXHTOI-ZFWWWQNUSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@H](O)C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001277959786 806485731 /nfs/dbraw/zinc/48/57/31/806485731.db2.gz VKOZRUYKRXHTOI-ZFWWWQNUSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@H](O)C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001277959786 806485733 /nfs/dbraw/zinc/48/57/33/806485733.db2.gz VKOZRUYKRXHTOI-ZFWWWQNUSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@H](O)C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001277959786 806485736 /nfs/dbraw/zinc/48/57/36/806485736.db2.gz VKOZRUYKRXHTOI-ZFWWWQNUSA-N 2 2 283.416 0.243 20 0 CCADLP COC(=O)[C@H]1C[C@H]([NH3+])C[N@H+](CCC2CC[NH2+]CC2)C1 ZINC001235779090 806502525 /nfs/dbraw/zinc/50/25/25/806502525.db2.gz WTOJNGOYLRXSDJ-STQMWFEESA-N 3 2 269.389 0.198 20 0 CCADLP COC(=O)[C@H]1C[C@H]([NH3+])C[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC001235779090 806502533 /nfs/dbraw/zinc/50/25/33/806502533.db2.gz WTOJNGOYLRXSDJ-STQMWFEESA-N 3 2 269.389 0.198 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C[C@H]2F)C[NH2+]1 ZINC001246089218 807149224 /nfs/dbraw/zinc/14/92/24/807149224.db2.gz CBGFDDAWYYKOSD-QCNOEVLYSA-N 2 2 287.379 0.348 20 0 CCADLP CC(C)(C(N)=O)C1CC[NH+](C[C@@H]2C[NH2+]C(C)(C)O2)CC1 ZINC001235891686 806513864 /nfs/dbraw/zinc/51/38/64/806513864.db2.gz HWLATEFHLGPEHL-LBPRGKRZSA-N 2 2 283.416 0.934 20 0 CCADLP COC(=O)[C@H]1C[C@H](C)C[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001235893620 806514769 /nfs/dbraw/zinc/51/47/69/806514769.db2.gz XPSUSDPIUTZAFZ-SRVKXCTJSA-N 2 2 270.373 0.842 20 0 CCADLP COC(=O)[C@H]1C[C@H](C)C[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001235893620 806514772 /nfs/dbraw/zinc/51/47/72/806514772.db2.gz XPSUSDPIUTZAFZ-SRVKXCTJSA-N 2 2 270.373 0.842 20 0 CCADLP COc1cc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c(F)cn1 ZINC001235999625 806526697 /nfs/dbraw/zinc/52/66/97/806526697.db2.gz KSXXNIWDVXPGDG-BVUQATHDSA-N 2 2 281.331 0.635 20 0 CCADLP COc1cc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c(F)cn1 ZINC001235999625 806526700 /nfs/dbraw/zinc/52/67/00/806526700.db2.gz KSXXNIWDVXPGDG-BVUQATHDSA-N 2 2 281.331 0.635 20 0 CCADLP CCOc1cncc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1 ZINC001235999375 806526403 /nfs/dbraw/zinc/52/64/03/806526403.db2.gz CHHPNYWWVAKMRX-NNQSOWQGSA-N 2 2 277.368 0.886 20 0 CCADLP CCOc1cncc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1 ZINC001235999375 806526410 /nfs/dbraw/zinc/52/64/10/806526410.db2.gz CHHPNYWWVAKMRX-NNQSOWQGSA-N 2 2 277.368 0.886 20 0 CCADLP C[C@H]([NH3+])CN1CC([NH+]2CCN(c3ccccn3)CC2)C1 ZINC001236037269 806532165 /nfs/dbraw/zinc/53/21/65/806532165.db2.gz FHUVAYLDOCOUDZ-ZDUSSCGKSA-N 2 2 275.400 0.235 20 0 CCADLP COC(=O)C[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001236041806 806534625 /nfs/dbraw/zinc/53/46/25/806534625.db2.gz KWUDNICWJNPCOA-NEPJUHHUSA-N 2 2 270.373 0.986 20 0 CCADLP COC(=O)C[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001236041806 806534632 /nfs/dbraw/zinc/53/46/32/806534632.db2.gz KWUDNICWJNPCOA-NEPJUHHUSA-N 2 2 270.373 0.986 20 0 CCADLP CC(=O)N(C)[C@@H]1CC[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001236302727 806564479 /nfs/dbraw/zinc/56/44/79/806564479.db2.gz DHHHNDKPHYNHJA-NEPJUHHUSA-N 2 2 255.362 0.264 20 0 CCADLP CC(=O)N(C)[C@@H]1CC[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001236302727 806564485 /nfs/dbraw/zinc/56/44/85/806564485.db2.gz DHHHNDKPHYNHJA-NEPJUHHUSA-N 2 2 255.362 0.264 20 0 CCADLP O=C1N=CNC(=O)C1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320665 806567138 /nfs/dbraw/zinc/56/71/38/806567138.db2.gz TXPWUHRIKYKGPD-AOOOYVTPSA-N 2 2 264.329 0.319 20 0 CCADLP O=C1N=CNC(=O)C1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320665 806567147 /nfs/dbraw/zinc/56/71/47/806567147.db2.gz TXPWUHRIKYKGPD-AOOOYVTPSA-N 2 2 264.329 0.319 20 0 CCADLP COC(=O)C[C@H]1CC[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001236532503 806593372 /nfs/dbraw/zinc/59/33/72/806593372.db2.gz AXUXJBQVAMXBOG-MNOVXSKESA-N 2 2 256.346 0.596 20 0 CCADLP COC(=O)C[C@H]1CC[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001236532503 806593378 /nfs/dbraw/zinc/59/33/78/806593378.db2.gz AXUXJBQVAMXBOG-MNOVXSKESA-N 2 2 256.346 0.596 20 0 CCADLP CCNC(=O)COC1CC[NH+](C[C@@H]2C[NH2+]C(C)(C)O2)CC1 ZINC001236797299 806611303 /nfs/dbraw/zinc/61/13/03/806611303.db2.gz DQQIAEBBFILURT-ZDUSSCGKSA-N 2 2 299.415 0.328 20 0 CCADLP FC(F)(F)[C@H]1C[N@H+](Cc2ccc3n2CC[NH2+]C3)CCN1 ZINC001236983287 806625776 /nfs/dbraw/zinc/62/57/76/806625776.db2.gz YRSGFAVKAACSQV-GFCCVEGCSA-N 2 2 288.317 0.927 20 0 CCADLP FC(F)(F)[C@H]1C[N@@H+](Cc2ccc3n2CC[NH2+]C3)CCN1 ZINC001236983287 806625782 /nfs/dbraw/zinc/62/57/82/806625782.db2.gz YRSGFAVKAACSQV-GFCCVEGCSA-N 2 2 288.317 0.927 20 0 CCADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@@H+]1CC[C@@H]1C[NH2+]CCO1 ZINC001237019740 806628215 /nfs/dbraw/zinc/62/82/15/806628215.db2.gz LWKPCHQWDAOKKP-JKSUJKDBSA-N 3 2 275.396 0.751 20 0 CCADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@H+]1CC[C@@H]1C[NH2+]CCO1 ZINC001237019740 806628217 /nfs/dbraw/zinc/62/82/17/806628217.db2.gz LWKPCHQWDAOKKP-JKSUJKDBSA-N 3 2 275.396 0.751 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCN(C2CC2)C(=O)C1 ZINC001246116947 807158366 /nfs/dbraw/zinc/15/83/66/807158366.db2.gz HCOYAJGAHWJTIC-NQBHXWOUSA-N 2 2 251.374 0.727 20 0 CCADLP C[NH+](C)Cc1csc(CNC(=O)CC2([NH3+])CC2)n1 ZINC000722409198 806655573 /nfs/dbraw/zinc/65/55/73/806655573.db2.gz LTSWNIHSPNMMAA-UHFFFAOYSA-N 2 2 268.386 0.702 20 0 CCADLP Cc1cn2c(cccc2NS(=O)(=O)CC[NH3+])[nH+]1 ZINC001237471740 806673059 /nfs/dbraw/zinc/67/30/59/806673059.db2.gz NHRBKKHHODPMRR-UHFFFAOYSA-N 2 2 254.315 0.343 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)N2CCCCO2)CC1 ZINC001120558819 798865127 /nfs/dbraw/zinc/86/51/27/798865127.db2.gz XOGBZXMMYLHLLB-UHFFFAOYSA-N 2 2 256.350 0.147 20 0 CCADLP C[NH+](C)Cc1csc(CNC(=O)NCCC[NH3+])n1 ZINC001120625902 798891773 /nfs/dbraw/zinc/89/17/73/798891773.db2.gz MOBAUAPBORMOMM-UHFFFAOYSA-N 2 2 271.390 0.353 20 0 CCADLP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCCCNc1cccc[nH+]1 ZINC001121991498 799116266 /nfs/dbraw/zinc/11/62/66/799116266.db2.gz SFXBNTCZDJORAI-VXGBXAGGSA-N 2 2 280.372 0.216 20 0 CCADLP C[C@@H]([NH3+])C1(C(=O)NCCc2[nH]cc[nH+]2)CCOCC1 ZINC001122003828 799119320 /nfs/dbraw/zinc/11/93/20/799119320.db2.gz HEAPXBZXNSMNSB-SNVBAGLBSA-N 2 2 266.345 0.212 20 0 CCADLP CCO[C@@H](CC)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001122157532 799157107 /nfs/dbraw/zinc/15/71/07/799157107.db2.gz OCEAFDAKERUIOV-LBPRGKRZSA-N 2 2 257.378 0.341 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]([NH3+])C(F)F)CC[C@H]21 ZINC001122192696 799165830 /nfs/dbraw/zinc/16/58/30/799165830.db2.gz VRSPVQMJSRGEDL-OPRDCNLKSA-N 2 2 261.316 0.522 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]([NH3+])C(F)F)CC[C@H]21 ZINC001122192696 799165833 /nfs/dbraw/zinc/16/58/33/799165833.db2.gz VRSPVQMJSRGEDL-OPRDCNLKSA-N 2 2 261.316 0.522 20 0 CCADLP CN(C)C(=O)C1C[NH+](Cc2cccc3c[nH+]cn32)C1 ZINC001238112977 806751517 /nfs/dbraw/zinc/75/15/17/806751517.db2.gz GOWGGZNACPCTFV-UHFFFAOYSA-N 2 2 258.325 0.854 20 0 CCADLP Cc1cnc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001124878407 799640755 /nfs/dbraw/zinc/64/07/55/799640755.db2.gz LSGZXOPUJXRANW-NEPJUHHUSA-N 2 2 280.372 0.844 20 0 CCADLP Cc1cnc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001124878407 799640757 /nfs/dbraw/zinc/64/07/57/799640757.db2.gz LSGZXOPUJXRANW-NEPJUHHUSA-N 2 2 280.372 0.844 20 0 CCADLP C[N@H+](C1CCOCC1)C1CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC001202877441 799767347 /nfs/dbraw/zinc/76/73/47/799767347.db2.gz FMESRWLPEBLHBG-ZDUSSCGKSA-N 2 2 295.427 0.840 20 0 CCADLP C[N@@H+](C1CCOCC1)C1CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC001202877441 799767352 /nfs/dbraw/zinc/76/73/52/799767352.db2.gz FMESRWLPEBLHBG-ZDUSSCGKSA-N 2 2 295.427 0.840 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC001139854908 799848518 /nfs/dbraw/zinc/84/85/18/799848518.db2.gz CHFMQVYYJXAZSR-RWMBFGLXSA-N 2 2 269.364 0.725 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC001139854908 799848524 /nfs/dbraw/zinc/84/85/24/799848524.db2.gz CHFMQVYYJXAZSR-RWMBFGLXSA-N 2 2 269.364 0.725 20 0 CCADLP C[NH+](C)CCCN1CC[NH+](Cc2ccc(CO)o2)CC1 ZINC001140682327 799929682 /nfs/dbraw/zinc/92/96/82/799929682.db2.gz XGARZCDTBAGXLQ-UHFFFAOYSA-N 2 2 281.400 0.841 20 0 CCADLP O=C1COC[C@H]2C[N@H+](Cc3c[nH]c4cc[nH+]cc34)CCN12 ZINC001140805218 799942390 /nfs/dbraw/zinc/94/23/90/799942390.db2.gz WSSNXPUFHFWNMW-GFCCVEGCSA-N 2 2 286.335 0.606 20 0 CCADLP O=C1COC[C@H]2C[N@@H+](Cc3c[nH]c4cc[nH+]cc34)CCN12 ZINC001140805218 799942398 /nfs/dbraw/zinc/94/23/98/799942398.db2.gz WSSNXPUFHFWNMW-GFCCVEGCSA-N 2 2 286.335 0.606 20 0 CCADLP Cc1ccc(CN2CCOC[C@@H]2C[NH+](C)C)c(N)[nH+]1 ZINC001143208035 800206303 /nfs/dbraw/zinc/20/63/03/800206303.db2.gz PJOHUMDULFFMOL-ZDUSSCGKSA-N 2 2 264.373 0.735 20 0 CCADLP CC(C)c1cccc(S(=O)(=O)NCC[NH2+]CC[NH3+])c1 ZINC001238838360 806812607 /nfs/dbraw/zinc/81/26/07/806812607.db2.gz JGVLGPPFNGSQNV-UHFFFAOYSA-N 2 2 285.413 0.637 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@H+](C(C)C)CCCO1 ZINC001150664051 800357187 /nfs/dbraw/zinc/35/71/87/800357187.db2.gz QIDPNZSPAPGTRU-CYBMUJFWSA-N 2 2 294.399 0.876 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@@H+](C(C)C)CCCO1 ZINC001150664051 800357195 /nfs/dbraw/zinc/35/71/95/800357195.db2.gz QIDPNZSPAPGTRU-CYBMUJFWSA-N 2 2 294.399 0.876 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2C)oc1C ZINC001151141648 800404488 /nfs/dbraw/zinc/40/44/88/800404488.db2.gz XHQYLPVYEOVJHH-UHFFFAOYSA-N 2 2 291.355 0.702 20 0 CCADLP C[NH+]1CC2(CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001151972421 800474621 /nfs/dbraw/zinc/47/46/21/800474621.db2.gz XNLLFGQRQNSDLJ-UHFFFAOYSA-N 2 2 256.309 0.951 20 0 CCADLP O=S(=O)([C@H]1CC[NH2+]C1)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001239094292 806847491 /nfs/dbraw/zinc/84/74/91/806847491.db2.gz TYTNXWXQMWSHLA-UONOGXRCSA-N 2 2 295.408 0.325 20 0 CCADLP C[C@H]1CC[C@@H](C[NH2+]CCNC(=O)CCCn2cc[nH+]c2)O1 ZINC001153344722 800624353 /nfs/dbraw/zinc/62/43/53/800624353.db2.gz IYTUOIDRYKDZLO-KBPBESRZSA-N 2 2 294.399 0.937 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NCC[NH2+]C[C@H]1CCCOC1 ZINC001153345496 800624383 /nfs/dbraw/zinc/62/43/83/800624383.db2.gz XIVUEFNJQJAWHE-CQSZACIVSA-N 2 2 294.399 0.796 20 0 CCADLP Cc1ncc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2)s1 ZINC001153487925 800633985 /nfs/dbraw/zinc/63/39/85/800633985.db2.gz SQRVGMWCILQHAD-UHFFFAOYSA-N 2 2 279.369 0.554 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]Cc1ccc(Cl)nc1 ZINC001153487571 800634284 /nfs/dbraw/zinc/63/42/84/800634284.db2.gz FHWWYAXHLMCULO-UHFFFAOYSA-N 2 2 293.758 0.838 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CCc1ccccc1F ZINC001153495377 800634904 /nfs/dbraw/zinc/63/49/04/800634904.db2.gz IAQQUKDKLUQGRR-UHFFFAOYSA-N 2 2 290.342 0.971 20 0 CCADLP C[C@H]1CC[C@H](C[NH2+]CCNC(=O)Cn2cc[nH+]c2)O1 ZINC001153496312 800634945 /nfs/dbraw/zinc/63/49/45/800634945.db2.gz ZERKPBXJBLHSEF-NWDGAFQWSA-N 2 2 266.345 0.156 20 0 CCADLP C[NH+](C)CCNC(=O)c1nc2c(s1)C[N@H+](C)CC2 ZINC001154214328 800742287 /nfs/dbraw/zinc/74/22/87/800742287.db2.gz YIEJEYNHRQRURR-UHFFFAOYSA-N 2 2 268.386 0.422 20 0 CCADLP C[NH+](C)CCNC(=O)c1nc2c(s1)C[N@@H+](C)CC2 ZINC001154214328 800742294 /nfs/dbraw/zinc/74/22/94/800742294.db2.gz YIEJEYNHRQRURR-UHFFFAOYSA-N 2 2 268.386 0.422 20 0 CCADLP c1nnn2c1CN(c1ccc(N3CC[NH2+]CC3)c[nH+]1)CC2 ZINC001154821278 800851484 /nfs/dbraw/zinc/85/14/84/800851484.db2.gz FIRHJKBAWWOVSR-UHFFFAOYSA-N 2 2 285.355 0.103 20 0 CCADLP CN(C)c1cc(N2CCOC[C@H]2C[NH+](C)C)nc[nH+]1 ZINC001154962468 800880150 /nfs/dbraw/zinc/88/01/50/800880150.db2.gz SIVHGPBTZGJGDE-LLVKDONJSA-N 2 2 265.361 0.309 20 0 CCADLP Cc1cc[nH+]c(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)c1C(N)=O ZINC001155483274 800988005 /nfs/dbraw/zinc/98/80/05/800988005.db2.gz RVAXIVVQDAYASN-GMTAPVOTSA-N 2 2 276.340 0.135 20 0 CCADLP Cc1nc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)c2c([nH+]1)CCC2 ZINC001155504561 800993688 /nfs/dbraw/zinc/99/36/88/800993688.db2.gz APBGPGMLZSTXLR-RAIGVLPGSA-N 2 2 260.341 0.672 20 0 CCADLP CCc1nc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)cc(C)[nH+]1 ZINC001155579720 801014351 /nfs/dbraw/zinc/01/43/51/801014351.db2.gz HEQZJVGNUQNHCR-ZANVPECISA-N 2 2 261.329 0.337 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Nc2cc(N3CCCC3)cc[nH+]2)C[NH2+]1 ZINC001156248954 801138828 /nfs/dbraw/zinc/13/88/28/801138828.db2.gz RDHULQITDYICKE-AAEUAGOBSA-N 2 2 290.367 0.997 20 0 CCADLP CN1C[C@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)CCC1=O ZINC001156568929 801188848 /nfs/dbraw/zinc/18/88/48/801188848.db2.gz ZIVFFFGDUJVIPN-GFCCVEGCSA-N 2 2 289.383 0.524 20 0 CCADLP CC[N@H+](CCCO)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157293958 801345448 /nfs/dbraw/zinc/34/54/48/801345448.db2.gz PEJMGYSGYRPGRH-GFCCVEGCSA-N 2 2 268.361 0.092 20 0 CCADLP CC[N@@H+](CCCO)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157293958 801345456 /nfs/dbraw/zinc/34/54/56/801345456.db2.gz PEJMGYSGYRPGRH-GFCCVEGCSA-N 2 2 268.361 0.092 20 0 CCADLP CC[N@H+](C[C@@H](C)O)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157294398 801346488 /nfs/dbraw/zinc/34/64/88/801346488.db2.gz YHEBJCFKBGPUDY-VXGBXAGGSA-N 2 2 268.361 0.091 20 0 CCADLP CC[N@@H+](C[C@@H](C)O)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157294398 801346493 /nfs/dbraw/zinc/34/64/93/801346493.db2.gz YHEBJCFKBGPUDY-VXGBXAGGSA-N 2 2 268.361 0.091 20 0 CCADLP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NCCc1[nH+]ccn1C ZINC001157421184 801377163 /nfs/dbraw/zinc/37/71/63/801377163.db2.gz FIBDIDVOWCYONF-ZDUSSCGKSA-N 3 2 295.431 0.574 20 0 CCADLP C[C@@H]1CCC[C@@H](C)N1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001157451076 801387159 /nfs/dbraw/zinc/38/71/59/801387159.db2.gz KJRNWHWXKBAAFU-NAWOPXAZSA-N 2 2 251.374 0.726 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@H]([NH3+])CCC[NH3+])[C@H](c2ccccc2)C1 ZINC001157496492 801401756 /nfs/dbraw/zinc/40/17/56/801401756.db2.gz VRBSXIJJGKTNNT-CABCVRRESA-N 3 2 290.411 0.568 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]([NH3+])CCC[NH3+])[C@H](c2ccccc2)C1 ZINC001157496492 801401762 /nfs/dbraw/zinc/40/17/62/801401762.db2.gz VRBSXIJJGKTNNT-CABCVRRESA-N 3 2 290.411 0.568 20 0 CCADLP [NH3+]C1(C(=O)N2CCC(=O)[C@H]3CCCC[C@@H]32)CC[NH2+]CC1 ZINC001157569342 801424276 /nfs/dbraw/zinc/42/42/76/801424276.db2.gz XMAPEMXLBCSLTG-RYUDHWBXSA-N 2 2 279.384 0.428 20 0 CCADLP CC(C)(C)OC(=O)O[C@@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C1 ZINC001157589849 801427419 /nfs/dbraw/zinc/42/74/19/801427419.db2.gz ACHHXVMFLCGIBY-VWYCJHECSA-N 2 2 299.371 0.086 20 0 CCADLP C[C@H]1CCCCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001157782342 801483972 /nfs/dbraw/zinc/48/39/72/801483972.db2.gz ZFHSCOXZAUXUQB-ZDEQEGDKSA-N 2 2 251.374 0.585 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cc(OCC3CC3)ncn2)CC1 ZINC001157914913 801519457 /nfs/dbraw/zinc/51/94/57/801519457.db2.gz HALNJUWVPPODOL-UHFFFAOYSA-N 2 2 290.371 0.859 20 0 CCADLP COCc1nc(NC(=[NH2+])N2CC[NH+](C)CC2)cc(OC)n1 ZINC001157916311 801521384 /nfs/dbraw/zinc/52/13/84/801521384.db2.gz SKWKHZMBAHKCNQ-UHFFFAOYSA-N 2 2 294.359 0.226 20 0 CCADLP C[C@@]1(CF)CC(F)(F)CN1C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001157952030 801537393 /nfs/dbraw/zinc/53/73/93/801537393.db2.gz KXTVQKAIQWFNDP-NRPADANISA-N 2 2 265.279 0.129 20 0 CCADLP Cc1ncn(-c2cc(N)[nH+]cn2)c1CSCC[NH3+] ZINC001157966646 801544282 /nfs/dbraw/zinc/54/42/82/801544282.db2.gz VLQCKVDYYWCUEW-UHFFFAOYSA-N 2 2 264.358 0.745 20 0 CCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@]1(C)CC(C)(C)C[NH2+]1 ZINC001158000171 801551055 /nfs/dbraw/zinc/55/10/55/801551055.db2.gz WKGHOEDGEDYIPS-XHDPSFHLSA-N 2 2 297.399 0.128 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nncc2ccccc21 ZINC001158203497 801590947 /nfs/dbraw/zinc/59/09/47/801590947.db2.gz AYJLISRTMNZNSS-LLVKDONJSA-N 2 2 269.308 0.678 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nc(Cl)ccc1F ZINC001158204549 801593190 /nfs/dbraw/zinc/59/31/90/801593190.db2.gz QNSRLKFFVJAWAE-SSDOTTSWSA-N 2 2 270.695 0.922 20 0 CCADLP CC(C)c1nccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158206494 801593888 /nfs/dbraw/zinc/59/38/88/801593888.db2.gz RNLVDESDOXFWLZ-SNVBAGLBSA-N 2 2 261.329 0.648 20 0 CCADLP CCc1nc(C)cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158209100 801595487 /nfs/dbraw/zinc/59/54/87/801595487.db2.gz FZWHYYRPAUQUIK-SNVBAGLBSA-N 2 2 261.329 0.395 20 0 CCADLP Nc1nc(Cl)cc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158257617 801606250 /nfs/dbraw/zinc/60/62/50/801606250.db2.gz FSNUEGJQQLSVRF-VIFPVBQESA-N 2 2 296.806 0.714 20 0 CCADLP Nc1nc(Cl)cc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158257617 801606254 /nfs/dbraw/zinc/60/62/54/801606254.db2.gz FSNUEGJQQLSVRF-VIFPVBQESA-N 2 2 296.806 0.714 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3ncnc4cc[nH]c43)CC2)C1 ZINC001158259175 801608773 /nfs/dbraw/zinc/60/87/73/801608773.db2.gz OSYXXJAJAWCATB-LLVKDONJSA-N 2 2 286.383 0.960 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](C2CCN(c3ncnc4cc[nH]c43)CC2)C1 ZINC001158259175 801608778 /nfs/dbraw/zinc/60/87/78/801608778.db2.gz OSYXXJAJAWCATB-LLVKDONJSA-N 2 2 286.383 0.960 20 0 CCADLP COc1cc[nH+]c(N2CC([N@H+](C)[C@H]3CCOC3)C2)c1 ZINC001158726410 801695461 /nfs/dbraw/zinc/69/54/61/801695461.db2.gz QMOZIFPHGYFDLW-NSHDSACASA-N 2 2 263.341 1.000 20 0 CCADLP COc1cc[nH+]c(N2CC([N@@H+](C)[C@H]3CCOC3)C2)c1 ZINC001158726410 801695466 /nfs/dbraw/zinc/69/54/66/801695466.db2.gz QMOZIFPHGYFDLW-NSHDSACASA-N 2 2 263.341 1.000 20 0 CCADLP Cc1cc(N2C[C@H]([NH3+])C3(COC3)C2)nc(C2CC2)[nH+]1 ZINC001158769059 801704945 /nfs/dbraw/zinc/70/49/45/801704945.db2.gz LRUDBCNXRKHLBG-NSHDSACASA-N 2 2 260.341 0.826 20 0 CCADLP CCOC(=O)Cc1ccc[nH+]c1N[C@H](C)[C@@H]1C[NH2+]CCO1 ZINC001159495328 801819772 /nfs/dbraw/zinc/81/97/72/801819772.db2.gz DPJPQYSVVSOBOK-YPMHNXCESA-N 2 2 293.367 0.976 20 0 CCADLP CC(=O)N[C@H]1C[C@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC001159510086 801829668 /nfs/dbraw/zinc/82/96/68/801829668.db2.gz HRHFELBLIHGNOO-JOCQHMNTSA-N 2 2 289.383 0.570 20 0 CCADLP OC[C@H]1C[NH2+]C[C@@H]1Nc1cc(N2CCSCC2)[nH+]cn1 ZINC001159678948 801848803 /nfs/dbraw/zinc/84/88/03/801848803.db2.gz ALHXRLJWVJACLL-MNOVXSKESA-N 2 2 295.412 0.022 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1C[C@@H]2C[C@H]1C[C@H]2F ZINC001160426404 801939271 /nfs/dbraw/zinc/93/92/71/801939271.db2.gz DRHWSSYYSZMZLM-XPXLGCRWSA-N 2 2 266.320 0.249 20 0 CCADLP O=C(N(CCO)Cc1cccs1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160443760 801942072 /nfs/dbraw/zinc/94/20/72/801942072.db2.gz OGQIKJBJADGFNO-BXUZGUMPSA-N 2 2 295.408 0.021 20 0 CCADLP CC(C)C[C@@H](C(=O)NCCC[NH2+]CCO)n1cc[nH+]c1 ZINC001160535212 801964400 /nfs/dbraw/zinc/96/44/00/801964400.db2.gz XYBJKKJWFXGMAP-ZDUSSCGKSA-N 2 2 282.388 0.559 20 0 CCADLP COC(C)(C)[C@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001160582264 801975887 /nfs/dbraw/zinc/97/58/87/801975887.db2.gz LGPPKFPTCAUKKO-QWHCGFSZSA-N 2 2 294.399 0.706 20 0 CCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1[C@@H]2CCC[C@H]1CC(=O)C2 ZINC001160631325 801983436 /nfs/dbraw/zinc/98/34/36/801983436.db2.gz JISRTGXBQWUFLE-CVNCSBKSSA-N 2 2 277.368 0.049 20 0 CCADLP COC(=O)[C@@]1(C)CCCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001160635222 801984806 /nfs/dbraw/zinc/98/48/06/801984806.db2.gz HPWDHGOPAWBVTO-FZMZJTMJSA-N 2 2 294.355 0.081 20 0 CCADLP CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001160680700 801998801 /nfs/dbraw/zinc/99/88/01/801998801.db2.gz QJUSIQKUMAKVQC-SDDRHHMPSA-N 2 2 297.399 0.127 20 0 CCADLP c1nc2c(c(N[C@@H]3CCC[C@H]3[NH+]3CCOCC3)n1)C[NH2+]C2 ZINC001160722975 802010957 /nfs/dbraw/zinc/01/09/57/802010957.db2.gz JEMWXMUCZIRNGJ-TZMCWYRMSA-N 2 2 289.383 0.745 20 0 CCADLP O=C([C@@H]1CC[NH2+]C[C@H]1F)N1CCC(n2cc[nH+]c2)CC1 ZINC001160727069 802011934 /nfs/dbraw/zinc/01/19/34/802011934.db2.gz YRPWOZDHZNGNTF-CHWSQXEVSA-N 2 2 280.347 0.994 20 0 CCADLP c1nc(N[C@H]2CCC[C@H]2[NH+]2CCOCC2)nc2c1C[NH2+]C2 ZINC001160724839 802012083 /nfs/dbraw/zinc/01/20/83/802012083.db2.gz REMBXGPODJDUQR-GXTWGEPZSA-N 2 2 289.383 0.745 20 0 CCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC2(C[C@H](F)CO2)CC1 ZINC001160786540 802020132 /nfs/dbraw/zinc/02/01/32/802020132.db2.gz FFTAFHIULROUEU-ZDEQEGDKSA-N 2 2 297.374 0.056 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(n2cccn2)CC1 ZINC001160846394 802028313 /nfs/dbraw/zinc/02/83/13/802028313.db2.gz QMKWUYZDKGCQQO-CYBMUJFWSA-N 2 2 288.355 0.340 20 0 CCADLP O=C1C[NH2+]CCN1CCNc1ccc2c([nH+]1)CCCC2 ZINC001161020271 802064532 /nfs/dbraw/zinc/06/45/32/802064532.db2.gz YZKPKNAZTOYSFP-UHFFFAOYSA-N 2 2 274.368 0.804 20 0 CCADLP CN(C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161057770 802078120 /nfs/dbraw/zinc/07/81/20/802078120.db2.gz GCXTZGRNUFXMKI-IJLUTSLNSA-N 3 2 265.361 0.008 20 0 CCADLP CN(C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)C1(C)CC[NH2+]CC1 ZINC001161074003 802082138 /nfs/dbraw/zinc/08/21/38/802082138.db2.gz VDVODBQXHRYGIH-CQSZACIVSA-N 3 2 290.411 0.859 20 0 CCADLP CCC[NH2+]CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001161214926 802109518 /nfs/dbraw/zinc/10/95/18/802109518.db2.gz JEZRWJPLKTWLIW-LBPRGKRZSA-N 2 2 264.373 0.951 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)c1cccc(C[NH3+])c1 ZINC001161238037 802113601 /nfs/dbraw/zinc/11/36/01/802113601.db2.gz QOLMDDGNUNQPLT-ZDUSSCGKSA-N 2 2 291.351 0.075 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)c1cccc(C[NH3+])c1 ZINC001161238037 802113603 /nfs/dbraw/zinc/11/36/03/802113603.db2.gz QOLMDDGNUNQPLT-ZDUSSCGKSA-N 2 2 291.351 0.075 20 0 CCADLP O=C(N(Cc1cccnc1)[C@H]1CCC[NH2+]C1)C1(F)C[NH2+]C1 ZINC001161269613 802118764 /nfs/dbraw/zinc/11/87/64/802118764.db2.gz BWFZEXKOUQSDQS-ZDUSSCGKSA-N 2 2 292.358 0.474 20 0 CCADLP CC(C)N(C(=O)[C@@]1(C)CC(F)(F)C[NH2+]1)[C@H]1CC[NH2+]C1 ZINC001161350715 802137038 /nfs/dbraw/zinc/13/70/38/802137038.db2.gz BZTKAEKCGORRQV-CMPLNLGQSA-N 2 2 275.343 0.973 20 0 CCADLP C[C@@H]([NH3+])c1ncc(C(=O)N2CC[N@@H+]3CC[C@H]3C2)s1 ZINC001161423493 802152522 /nfs/dbraw/zinc/15/25/22/802152522.db2.gz BYQUTEHCJDANFA-BDAKNGLRSA-N 2 2 266.370 0.693 20 0 CCADLP C[C@@H]([NH3+])c1ncc(C(=O)N2CC[N@H+]3CC[C@H]3C2)s1 ZINC001161423493 802152527 /nfs/dbraw/zinc/15/25/27/802152527.db2.gz BYQUTEHCJDANFA-BDAKNGLRSA-N 2 2 266.370 0.693 20 0 CCADLP C[N@H+](C1CN(C(=O)[C@@H]([NH3+])c2ccsc2)C1)[C@H]1CCOC1 ZINC001161499531 802165019 /nfs/dbraw/zinc/16/50/19/802165019.db2.gz PLJPDKXFZQFAPQ-AAEUAGOBSA-N 2 2 295.408 0.679 20 0 CCADLP C[N@@H+](C1CN(C(=O)[C@@H]([NH3+])c2ccsc2)C1)[C@H]1CCOC1 ZINC001161499531 802165024 /nfs/dbraw/zinc/16/50/24/802165024.db2.gz PLJPDKXFZQFAPQ-AAEUAGOBSA-N 2 2 295.408 0.679 20 0 CCADLP C[C@@H](CN1CC[NH2+]CC1)Nc1nc(N(C)C)cc[nH+]1 ZINC001162090493 802273084 /nfs/dbraw/zinc/27/30/84/802273084.db2.gz PNUISCVOIPCLGY-NSHDSACASA-N 2 2 264.377 0.248 20 0 CCADLP Cn1c[nH+]cc1-c1cccc(N(CC[NH3+])S(C)(=O)=O)c1 ZINC001162131354 802281636 /nfs/dbraw/zinc/28/16/36/802281636.db2.gz TWHXGIPSXMEQLX-UHFFFAOYSA-N 2 2 294.380 0.812 20 0 CCADLP C[N@@H+]1CCC[C@H]([NH+]2CCN3C(=O)OC[C@H]3C2)CC1 ZINC001254524374 808254156 /nfs/dbraw/zinc/25/41/56/808254156.db2.gz BGIBCPQEIJQWHJ-NWDGAFQWSA-N 2 2 253.346 0.607 20 0 CCADLP C[N@H+]1CCC[C@H]([NH+]2CCN3C(=O)OC[C@H]3C2)CC1 ZINC001254524374 808254163 /nfs/dbraw/zinc/25/41/63/808254163.db2.gz BGIBCPQEIJQWHJ-NWDGAFQWSA-N 2 2 253.346 0.607 20 0 CCADLP C[NH+]1CCC[C@H]([N@@H+]2CCN3C(=O)OC[C@H]3C2)CC1 ZINC001254524374 808254168 /nfs/dbraw/zinc/25/41/68/808254168.db2.gz BGIBCPQEIJQWHJ-NWDGAFQWSA-N 2 2 253.346 0.607 20 0 CCADLP C[NH+]1CCC[C@H]([N@H+]2CCN3C(=O)OC[C@H]3C2)CC1 ZINC001254524374 808254172 /nfs/dbraw/zinc/25/41/72/808254172.db2.gz BGIBCPQEIJQWHJ-NWDGAFQWSA-N 2 2 253.346 0.607 20 0 CCADLP CN1CC(=O)Nc2ccc(NC[C@H]3C[N@H+](C)CCO3)[nH+]c21 ZINC001162683775 802393041 /nfs/dbraw/zinc/39/30/41/802393041.db2.gz LWVCAAHFBGVYHL-JTQLQIEISA-N 2 2 291.355 0.212 20 0 CCADLP CN1CC(=O)Nc2ccc(NC[C@H]3C[N@@H+](C)CCO3)[nH+]c21 ZINC001162683775 802393052 /nfs/dbraw/zinc/39/30/52/802393052.db2.gz LWVCAAHFBGVYHL-JTQLQIEISA-N 2 2 291.355 0.212 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1cc2c(nn1)CC[NH2+]C2 ZINC001162855093 802430234 /nfs/dbraw/zinc/43/02/34/802430234.db2.gz ZTJFGVQMBTXKGD-JTQLQIEISA-N 2 2 293.371 0.203 20 0 CCADLP c1cc2c([nH+]c1N[C@H]1COCCC13C[NH2+]C3)CCOC2 ZINC001163070443 802473152 /nfs/dbraw/zinc/47/31/52/802473152.db2.gz XVXAZGXHCYKMAC-ZDUSSCGKSA-N 2 2 275.352 0.945 20 0 CCADLP COC(=O)[C@H](C)c1ccc(NC[C@@]23C[NH2+][C@@H](CO2)C3)[nH+]c1 ZINC001163196969 802505177 /nfs/dbraw/zinc/50/51/77/802505177.db2.gz KJZLMFXGBWYAGN-IXPVHAAZSA-N 2 2 291.351 0.901 20 0 CCADLP Cc1nc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)c2c([nH+]1)CCCC2 ZINC001163240623 802513567 /nfs/dbraw/zinc/51/35/67/802513567.db2.gz ZIRYMDVLRKWLNR-WFASDCNBSA-N 2 2 287.367 0.654 20 0 CCADLP Cc1cc(C[NH3+])nn1-c1cc(N2CCOCC2)[nH+]c(C)n1 ZINC001163978208 802643724 /nfs/dbraw/zinc/64/37/24/802643724.db2.gz SHUUOEMGJOIBLY-UHFFFAOYSA-N 2 2 288.355 0.574 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCCC[N@@H+](C)C[C@H](C)O)c[nH+]1 ZINC001264998889 809690337 /nfs/dbraw/zinc/69/03/37/809690337.db2.gz CEICAPFWIDSTSZ-ZDUSSCGKSA-N 2 2 296.415 0.746 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCCC[N@H+](C)C[C@H](C)O)c[nH+]1 ZINC001264998889 809690340 /nfs/dbraw/zinc/69/03/40/809690340.db2.gz CEICAPFWIDSTSZ-ZDUSSCGKSA-N 2 2 296.415 0.746 20 0 CCADLP Cn1cc(NCC2([NH+](C)C)CC[NH+](C)CC2)ccc1=O ZINC001164210605 802688588 /nfs/dbraw/zinc/68/85/88/802688588.db2.gz FRLNXLWAZDCBDG-UHFFFAOYSA-N 2 2 278.400 0.823 20 0 CCADLP [NH3+][C@@H]1CN(c2cc(N3CCOCC3)[nH+]cn2)CCC1(F)F ZINC001164319945 802721789 /nfs/dbraw/zinc/72/17/89/802721789.db2.gz UIVHKWRVVROTQD-SNVBAGLBSA-N 2 2 299.325 0.486 20 0 CCADLP FC1(F)C[NH2+]CCN(c2ccc(N3CC[NH2+]CC3)cn2)C1 ZINC001164497046 802749324 /nfs/dbraw/zinc/74/93/24/802749324.db2.gz BDPFHYUDANQCJK-UHFFFAOYSA-N 2 2 297.353 0.536 20 0 CCADLP COC(CN(C)c1cccc(N2CC[NH+](C)CC2)[nH+]1)OC ZINC001165139593 802786338 /nfs/dbraw/zinc/78/63/38/802786338.db2.gz BJWKSTKLBDHDMT-UHFFFAOYSA-N 2 2 294.399 0.889 20 0 CCADLP CCc1nc(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)cc(C)[nH+]1 ZINC001165274563 802811154 /nfs/dbraw/zinc/81/11/54/802811154.db2.gz OSCUOXCUDKMJIC-RYUDHWBXSA-N 2 2 262.357 0.915 20 0 CCADLP Cc1c[nH+]c(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)nc1NC(C)C ZINC001165281051 802811886 /nfs/dbraw/zinc/81/18/86/802811886.db2.gz BSZQVIIDWOHARJ-DOMZBBRYSA-N 2 2 291.399 0.623 20 0 CCADLP CC(=O)Nc1c(C)cc[nH+]c1N1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001165282933 802812263 /nfs/dbraw/zinc/81/22/63/802812263.db2.gz HZZVIJFORPIMGR-DOMZBBRYSA-N 2 2 290.367 0.367 20 0 CCADLP c1cc(N2CCOCC23C[NH2+]C3)nc(N2CCCCC2)[nH+]1 ZINC001165288377 802816180 /nfs/dbraw/zinc/81/61/80/802816180.db2.gz IIOWLPJZOFMAAY-UHFFFAOYSA-N 2 2 289.383 0.646 20 0 CCADLP c1cc(N2CC[C@@H]3[NH2+]CC[C@H]32)nc(N2CCOCC2)[nH+]1 ZINC001165299229 802819396 /nfs/dbraw/zinc/81/93/96/802819396.db2.gz GXYJOYANORANQS-NWDGAFQWSA-N 2 2 275.356 0.254 20 0 CCADLP Cc1[nH+]c2c(n1-c1nccc(C)c1C(N)=O)CC[NH2+]CC2 ZINC001165354016 802826280 /nfs/dbraw/zinc/82/62/80/802826280.db2.gz YPJXGEVDOPQQLX-UHFFFAOYSA-N 2 2 285.351 0.671 20 0 CCADLP COCCCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001267753458 811747218 /nfs/dbraw/zinc/74/72/18/811747218.db2.gz AYXKFGNGPMGMBB-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP COCCCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001267753458 811747223 /nfs/dbraw/zinc/74/72/23/811747223.db2.gz AYXKFGNGPMGMBB-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP CCc1nc(C[NH2+]CCCNC(=O)CC[NH+](C)C)no1 ZINC001165793787 802866695 /nfs/dbraw/zinc/86/66/95/802866695.db2.gz ADHZKYJMADZWOQ-UHFFFAOYSA-N 2 2 283.376 0.180 20 0 CCADLP C[C@H](F)CC[N@@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001269354918 813336057 /nfs/dbraw/zinc/33/60/57/813336057.db2.gz BVNKVFNKYRVZLD-RYUDHWBXSA-N 2 2 268.336 0.822 20 0 CCADLP C[C@H](F)CC[N@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001269354918 813336062 /nfs/dbraw/zinc/33/60/62/813336062.db2.gz BVNKVFNKYRVZLD-RYUDHWBXSA-N 2 2 268.336 0.822 20 0 CCADLP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001205952911 803190616 /nfs/dbraw/zinc/19/06/16/803190616.db2.gz GNDUSMPOZNKRHN-HZPDHXFCSA-N 3 2 293.411 0.521 20 0 CCADLP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001205952911 803190619 /nfs/dbraw/zinc/19/06/19/803190619.db2.gz GNDUSMPOZNKRHN-HZPDHXFCSA-N 3 2 293.411 0.521 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2cnn(Cc3ccccc3)c2)C[C@H]1O ZINC001206469627 803248196 /nfs/dbraw/zinc/24/81/96/803248196.db2.gz SHLURIQZJQYOQO-JKSUJKDBSA-N 2 2 286.379 0.683 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2cnn(Cc3ccccc3)c2)C[C@H]1O ZINC001206469627 803248201 /nfs/dbraw/zinc/24/82/01/803248201.db2.gz SHLURIQZJQYOQO-JKSUJKDBSA-N 2 2 286.379 0.683 20 0 CCADLP COc1cc(-c2ccc[nH]2)[nH]c1C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206490437 803253610 /nfs/dbraw/zinc/25/36/10/803253610.db2.gz CAYCUQFTWKGPIY-IINYFYTJSA-N 2 2 290.367 0.770 20 0 CCADLP COc1cc(-c2ccc[nH]2)[nH]c1C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206490437 803253614 /nfs/dbraw/zinc/25/36/14/803253614.db2.gz CAYCUQFTWKGPIY-IINYFYTJSA-N 2 2 290.367 0.770 20 0 CCADLP COc1ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(F)c1 ZINC001206512148 803257408 /nfs/dbraw/zinc/25/74/08/803257408.db2.gz JYJZCJJMAYICCB-GWCFXTLKSA-N 2 2 254.305 0.586 20 0 CCADLP COc1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(F)c1 ZINC001206512148 803257414 /nfs/dbraw/zinc/25/74/14/803257414.db2.gz JYJZCJJMAYICCB-GWCFXTLKSA-N 2 2 254.305 0.586 20 0 CCADLP CCOc1ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(F)c1 ZINC001206535638 803262504 /nfs/dbraw/zinc/26/25/04/803262504.db2.gz OSQVETKTWATRAQ-FZMZJTMJSA-N 2 2 268.332 0.976 20 0 CCADLP CCOc1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(F)c1 ZINC001206535638 803262512 /nfs/dbraw/zinc/26/25/12/803262512.db2.gz OSQVETKTWATRAQ-FZMZJTMJSA-N 2 2 268.332 0.976 20 0 CCADLP C[C@@H]1C[N@H+](Cc2ccn(C)n2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492456 803518361 /nfs/dbraw/zinc/51/83/61/803518361.db2.gz MAJFVCACANHMIJ-TZMCWYRMSA-N 2 2 293.415 0.308 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2ccn(C)n2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492456 803518365 /nfs/dbraw/zinc/51/83/65/803518365.db2.gz MAJFVCACANHMIJ-TZMCWYRMSA-N 2 2 293.415 0.308 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@@H+](C[C@H](C)C(=O)OC)C[C@@H]2C1 ZINC001208717503 803539733 /nfs/dbraw/zinc/53/97/33/803539733.db2.gz UCXVNDPBOZNZOY-RWMBFGLXSA-N 2 2 270.373 0.448 20 0 CCADLP CC[N@@H+]1CCO[C@@H]2C[NH+](C[C@H](C)C(=O)OC)C[C@@H]2C1 ZINC001208717503 803539726 /nfs/dbraw/zinc/53/97/26/803539726.db2.gz UCXVNDPBOZNZOY-RWMBFGLXSA-N 2 2 270.373 0.448 20 0 CCADLP CC[N@H+]1CCO[C@@H]2C[NH+](C[C@H](C)C(=O)OC)C[C@@H]2C1 ZINC001208717503 803539728 /nfs/dbraw/zinc/53/97/28/803539728.db2.gz UCXVNDPBOZNZOY-RWMBFGLXSA-N 2 2 270.373 0.448 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@H+](C[C@H](C)C(=O)OC)C[C@@H]2C1 ZINC001208717503 803539730 /nfs/dbraw/zinc/53/97/30/803539730.db2.gz UCXVNDPBOZNZOY-RWMBFGLXSA-N 2 2 270.373 0.448 20 0 CCADLP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1ccns1)C2 ZINC001276591300 803548415 /nfs/dbraw/zinc/54/84/15/803548415.db2.gz HIZUCOXCWYAIQB-UHFFFAOYSA-N 2 2 266.414 0.822 20 0 CCADLP O=C(N[C@@H](C[NH2+]CCF)C1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001276610566 803568439 /nfs/dbraw/zinc/56/84/39/803568439.db2.gz CCEUVGKRBAFQMJ-OLZOCXBDSA-N 2 2 294.374 0.899 20 0 CCADLP CC[N@H+](CCn1cc[nH+]c1)CCN1CCOCC1 ZINC001209294158 803589428 /nfs/dbraw/zinc/58/94/28/803589428.db2.gz WJQZTAWVZSSUMC-UHFFFAOYSA-N 2 2 252.362 0.537 20 0 CCADLP CC[N@@H+](CCn1cc[nH+]c1)CCN1CCOCC1 ZINC001209294158 803589429 /nfs/dbraw/zinc/58/94/29/803589429.db2.gz WJQZTAWVZSSUMC-UHFFFAOYSA-N 2 2 252.362 0.537 20 0 CCADLP CC[NH+](CC)C[C@@H]1CN(CC[NH+]2CCOCC2)CCO1 ZINC001209295718 803590370 /nfs/dbraw/zinc/59/03/70/803590370.db2.gz CJGWIIISNKYNCD-OAHLLOKOSA-N 2 2 285.432 0.361 20 0 CCADLP CC(=O)N1CCC2(C[NH+](Cc3c[nH+]ccc3N)C2)C1 ZINC001209730493 803625405 /nfs/dbraw/zinc/62/54/05/803625405.db2.gz LYLWITNYNRAVKJ-UHFFFAOYSA-N 2 2 260.341 0.548 20 0 CCADLP CC[N@H+](CCN1CCOCC1)Cc1c[nH+]ccc1N ZINC001209731995 803625873 /nfs/dbraw/zinc/62/58/73/803625873.db2.gz VWILPSXECDNGRL-UHFFFAOYSA-N 2 2 264.373 0.648 20 0 CCADLP CC[N@@H+](CCN1CCOCC1)Cc1c[nH+]ccc1N ZINC001209731995 803625875 /nfs/dbraw/zinc/62/58/75/803625875.db2.gz VWILPSXECDNGRL-UHFFFAOYSA-N 2 2 264.373 0.648 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209837704 803632051 /nfs/dbraw/zinc/63/20/51/803632051.db2.gz RJMLFFLTQJLLPD-RYUDHWBXSA-N 2 2 280.372 0.568 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CCC[C@H]([NH2+]CCCO)C1 ZINC001210899015 803663648 /nfs/dbraw/zinc/66/36/48/803663648.db2.gz FIBDLGYTMQROKZ-ZDUSSCGKSA-N 2 2 294.399 0.316 20 0 CCADLP CC[NH2+]C[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001276694389 803668589 /nfs/dbraw/zinc/66/85/89/803668589.db2.gz CAOYSBAMBUKLDQ-GFCCVEGCSA-N 2 2 250.346 0.765 20 0 CCADLP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001215268962 803786929 /nfs/dbraw/zinc/78/69/29/803786929.db2.gz FOPUQBDXLSQFNR-HZSPNIEDSA-N 2 2 294.399 0.745 20 0 CCADLP COCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001216065792 803833430 /nfs/dbraw/zinc/83/34/30/803833430.db2.gz UGIZAYNVYXYGAK-GHMZBOCLSA-N 2 2 266.345 0.035 20 0 CCADLP Cc1cnc(C)c(NC(=O)C[NH2+]C2CC[NH2+]CC2)n1 ZINC001218497673 803965058 /nfs/dbraw/zinc/96/50/58/803965058.db2.gz YJSXDDLEIZTYPP-UHFFFAOYSA-N 2 2 263.345 0.374 20 0 CCADLP [NH3+][C@@H](C(=O)Nc1cccc2[nH+]ccn21)C1CC[NH2+]CC1 ZINC001218499555 803965624 /nfs/dbraw/zinc/96/56/24/803965624.db2.gz XMFZIVDQWPXOPH-CYBMUJFWSA-N 3 2 273.340 0.600 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cnc(-c3ccccc3)cn2)C1 ZINC001218505604 803973002 /nfs/dbraw/zinc/97/30/02/803973002.db2.gz IOHCPKWOWZZQOB-NEPJUHHUSA-N 2 2 283.335 0.771 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccc(Cl)nn1 ZINC001218506747 803973513 /nfs/dbraw/zinc/97/35/13/803973513.db2.gz DZXPDPMYDDXZIC-QMMMGPOBSA-N 2 2 280.719 0.372 20 0 CCADLP COc1ccc(NC(=O)C2([NH3+])CC[NH2+]CC2)c(C)n1 ZINC001218538807 803994042 /nfs/dbraw/zinc/99/40/42/803994042.db2.gz ZKTCEDQMRNWZQG-UHFFFAOYSA-N 2 2 264.329 0.418 20 0 CCADLP COc1cncc(NC(=O)C2([NH3+])CC[NH2+]CC2)c1C ZINC001218561457 804007662 /nfs/dbraw/zinc/00/76/62/804007662.db2.gz IIEOQSATWRKITQ-UHFFFAOYSA-N 2 2 264.329 0.418 20 0 CCADLP Nc1cccc(-c2cccc(NC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)n2)n1 ZINC001218562651 804007691 /nfs/dbraw/zinc/00/76/91/804007691.db2.gz ZFBLRFBHSAXEKS-SKDRFNHKSA-N 2 2 298.350 0.354 20 0 CCADLP O=C(C[C@H]1COCC[NH2+]1)Nc1cc[nH+]c2c1CCC2 ZINC001218621266 804038484 /nfs/dbraw/zinc/03/84/84/804038484.db2.gz PSCGVYSGINFRTL-JTQLQIEISA-N 2 2 261.325 0.309 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ncc(Cl)cc1N ZINC001218628355 804044507 /nfs/dbraw/zinc/04/45/07/804044507.db2.gz IPHMBFSRXZTZPH-JTQLQIEISA-N 2 2 294.746 0.559 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1cn[nH]c(=O)c1Cl ZINC001218633075 804048409 /nfs/dbraw/zinc/04/84/09/804048409.db2.gz PGKCJVNTOFJFSI-UHFFFAOYSA-N 2 2 285.735 0.116 20 0 CCADLP CNc1ccc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)cn1 ZINC001218653825 804064595 /nfs/dbraw/zinc/06/45/95/804064595.db2.gz BLBQZLJJHBUOBF-BREBYQMCSA-N 2 2 261.329 0.284 20 0 CCADLP Cc1cnn(C2CCOCC2)c1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218741563 804103377 /nfs/dbraw/zinc/10/33/77/804103377.db2.gz NIDHWXXNPMRXLW-NSHDSACASA-N 2 2 281.360 0.158 20 0 CCADLP [NH3+][C@H](Cc1c[nH]cn1)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC001218741419 804103751 /nfs/dbraw/zinc/10/37/51/804103751.db2.gz OICPDCFNTKIFIH-GFCCVEGCSA-N 2 2 297.322 0.499 20 0 CCADLP [NH3+][C@H](Cc1cnc[nH]1)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC001218741419 804103757 /nfs/dbraw/zinc/10/37/57/804103757.db2.gz OICPDCFNTKIFIH-GFCCVEGCSA-N 2 2 297.322 0.499 20 0 CCADLP COc1cc(Cl)ncc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218756472 804110717 /nfs/dbraw/zinc/11/07/17/804110717.db2.gz APPRJBXBAXDORJ-RQJHMYQMSA-N 2 2 270.720 0.371 20 0 CCADLP COc1cc(Cl)ncc1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218757180 804112468 /nfs/dbraw/zinc/11/24/68/804112468.db2.gz NPAXTQVYAIYXEU-LURJTMIESA-N 2 2 258.709 0.358 20 0 CCADLP O=C(Nc1ccn2cc[nH+]c2c1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218788765 804120631 /nfs/dbraw/zinc/12/06/31/804120631.db2.gz XQACVCQDTJNNQS-LLVKDONJSA-N 3 2 271.324 0.082 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1cccc2nsnc21 ZINC001218807566 804127887 /nfs/dbraw/zinc/12/78/87/804127887.db2.gz CLRFSQOVBXSEJY-UHFFFAOYSA-N 2 2 291.380 0.971 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc2c(c1)OCO2 ZINC001218807609 804128232 /nfs/dbraw/zinc/12/82/32/804128232.db2.gz FMTZPOVBNDTHEH-JTQLQIEISA-N 2 2 274.280 0.647 20 0 CCADLP [NH3+]C1(C(=O)Nc2ccccc2-n2cccn2)CC[NH2+]CC1 ZINC001218818312 804131422 /nfs/dbraw/zinc/13/14/22/804131422.db2.gz UQCKEPOKOCOAKH-UHFFFAOYSA-N 2 2 285.351 0.892 20 0 CCADLP N[C@]1(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)CCC[NH2+]C1 ZINC001218812197 804131681 /nfs/dbraw/zinc/13/16/81/804131681.db2.gz OVBSTRPRIXDRGL-OAHLLOKOSA-N 2 2 285.351 0.892 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccccc1CO ZINC001218830167 804135375 /nfs/dbraw/zinc/13/53/75/804135375.db2.gz QRWIGNZOSSQSKF-LLVKDONJSA-N 2 2 260.297 0.411 20 0 CCADLP N[C@@]1(C(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)CC[NH2+]C1 ZINC001218847734 804139252 /nfs/dbraw/zinc/13/92/52/804139252.db2.gz JROUBGLGFMTXAC-HNNXBMFYSA-N 2 2 285.351 0.561 20 0 CCADLP [NH3+]C1(C(=O)Nc2cccc(-c3nnco3)c2)CC[NH2+]CC1 ZINC001218861185 804140950 /nfs/dbraw/zinc/14/09/50/804140950.db2.gz DVSKPPOEFZIBQP-UHFFFAOYSA-N 2 2 287.323 0.756 20 0 CCADLP CC(C)(C[NH3+])c1ccc(NC(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)cc1 ZINC001218895411 804151133 /nfs/dbraw/zinc/15/11/33/804151133.db2.gz PQGBPUBQICDZPI-AAEUAGOBSA-N 3 2 276.384 0.551 20 0 CCADLP CC1(C)c2ccc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc2NC1=O ZINC001218977417 804171930 /nfs/dbraw/zinc/17/19/30/804171930.db2.gz HOFVCIMVFOCSSJ-JTQLQIEISA-N 2 2 276.340 0.531 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cccc(Cl)c1CO ZINC001218990976 804176649 /nfs/dbraw/zinc/17/66/49/804176649.db2.gz LCEOJJCKCGOSGH-VIFPVBQESA-N 2 2 257.721 0.447 20 0 CCADLP CC(=O)c1cccc(O)c1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218994501 804178159 /nfs/dbraw/zinc/17/81/59/804178159.db2.gz JHEJNYSFIMCSEI-VIFPVBQESA-N 2 2 251.286 0.209 20 0 CCADLP O=C(NCCn1cc[nH+]c1)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001219563924 804352079 /nfs/dbraw/zinc/35/20/79/804352079.db2.gz NQWJVJGTGLBMSP-DZGCQCFKSA-N 2 2 292.383 0.548 20 0 CCADLP Cc1nocc1CNC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001219608017 804374144 /nfs/dbraw/zinc/37/41/44/804374144.db2.gz LYTPRXDLMJDAFQ-CYBMUJFWSA-N 2 2 274.324 0.872 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)[C@H]2CC[NH2+]C[C@H]2F)c1 ZINC001219633735 804383675 /nfs/dbraw/zinc/38/36/75/804383675.db2.gz CXHIZTXABQUUTK-WDEREUQCSA-N 2 2 254.309 0.026 20 0 CCADLP C[C@@H]1CCCC[C@@H]1CNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219673632 804401516 /nfs/dbraw/zinc/40/15/16/804401516.db2.gz LKTRXCUGIYZMGB-GUIRCDHDSA-N 2 2 265.401 0.880 20 0 CCADLP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@H]1C[NH2+]CC(F)(F)C1 ZINC001219773643 804419859 /nfs/dbraw/zinc/41/98/59/804419859.db2.gz WWVMMPVCAFAHIU-SNVBAGLBSA-N 2 2 287.354 0.880 20 0 CCADLP Cc1ccc(CCNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c(C)c1 ZINC001219910366 804446253 /nfs/dbraw/zinc/44/62/53/804446253.db2.gz ZHPXVZGQERYUNX-KGLIPLIRSA-N 2 2 261.369 0.651 20 0 CCADLP Cc1c[nH]c(CCNC(=O)[C@@H]2CCC[NH2+][C@H]2C)[nH+]1 ZINC001219952497 804456332 /nfs/dbraw/zinc/45/63/32/804456332.db2.gz WLVITYALMNZSLR-WDEREUQCSA-N 2 2 250.346 0.765 20 0 CCADLP [NH3+]C1(C(=O)NCc2cccc3ncccc23)CC[NH2+]CC1 ZINC001220039913 804480458 /nfs/dbraw/zinc/48/04/58/804480458.db2.gz YMBWNTATORSFPS-UHFFFAOYSA-N 2 2 284.363 0.932 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCc1n[nH]c2ccccc12 ZINC001220044931 804482072 /nfs/dbraw/zinc/48/20/72/804482072.db2.gz DZYVKTIRGOQYSU-LBPRGKRZSA-N 2 2 298.350 0.483 20 0 CCADLP [NH3+]C1(C(=O)NCc2nccc3ccccc32)CC[NH2+]CC1 ZINC001220047130 804484491 /nfs/dbraw/zinc/48/44/91/804484491.db2.gz RODIMRFLBCXGQK-UHFFFAOYSA-N 2 2 284.363 0.932 20 0 CCADLP [NH3+][C@@H](C(=O)NCC1([NH+]2CCCC2)COC1)c1ccccc1 ZINC001220197887 804534051 /nfs/dbraw/zinc/53/40/51/804534051.db2.gz VHNQDTFIFVGFMH-CQSZACIVSA-N 2 2 289.379 0.667 20 0 CCADLP O=C(NCc1cccc2n[nH]cc21)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220308060 804567172 /nfs/dbraw/zinc/56/71/72/804567172.db2.gz BHYFRGVBGURLHT-XHDPSFHLSA-N 2 2 285.351 0.131 20 0 CCADLP COc1cc2c(cc1C)C[C@@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C2 ZINC001220379207 804587355 /nfs/dbraw/zinc/58/73/55/804587355.db2.gz NVALPYVQHNBSFE-MCIONIFRSA-N 2 2 289.379 0.276 20 0 CCADLP [NH3+]C1(C(=O)NCCc2c[nH]c3cccnc23)CC[NH2+]CC1 ZINC001220385788 804591123 /nfs/dbraw/zinc/59/11/23/804591123.db2.gz AAIGTZFULREKRH-UHFFFAOYSA-N 2 2 287.367 0.303 20 0 CCADLP C[C@](CO)(NC(=O)C1([NH3+])CC[NH2+]CC1)c1ccccc1 ZINC001220712230 804653556 /nfs/dbraw/zinc/65/35/56/804653556.db2.gz XQWCPCOJNKYHCK-CQSZACIVSA-N 2 2 277.368 0.091 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCCC1CCC(O)CC1 ZINC001220756715 804660922 /nfs/dbraw/zinc/66/09/22/804660922.db2.gz IJXMTIYYNPSXDF-UBHUBRDASA-N 2 2 294.399 0.347 20 0 CCADLP CCCCC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220757505 804662032 /nfs/dbraw/zinc/66/20/32/804662032.db2.gz IZEQQXXYGQQUKJ-KGLIPLIRSA-N 2 2 294.399 0.314 20 0 CCADLP CCCCC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001220757505 804662035 /nfs/dbraw/zinc/66/20/35/804662035.db2.gz IZEQQXXYGQQUKJ-KGLIPLIRSA-N 2 2 294.399 0.314 20 0 CCADLP OC[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1O ZINC000316047257 804667998 /nfs/dbraw/zinc/66/79/98/804667998.db2.gz DVHNMCMDCCEUTI-ZFWWWQNUSA-N 2 2 273.336 0.657 20 0 CCADLP OC[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1O ZINC000316047257 804668002 /nfs/dbraw/zinc/66/80/02/804668002.db2.gz DVHNMCMDCCEUTI-ZFWWWQNUSA-N 2 2 273.336 0.657 20 0 CCADLP O=C(NCc1c[nH+]cn1C1CCC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC001221023618 804721533 /nfs/dbraw/zinc/72/15/33/804721533.db2.gz POCIMKFLYWOMPN-ITGUQSILSA-N 2 2 260.341 0.690 20 0 CCADLP CC(C)C[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001221154340 804736929 /nfs/dbraw/zinc/73/69/29/804736929.db2.gz LZKQXURIJPRUCS-KGLIPLIRSA-N 2 2 294.399 0.481 20 0 CCADLP CC(C)C[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001221154340 804736935 /nfs/dbraw/zinc/73/69/35/804736935.db2.gz LZKQXURIJPRUCS-KGLIPLIRSA-N 2 2 294.399 0.481 20 0 CCADLP [NH3+]C1(C(=O)N[C@@H]2CCCc3cnccc32)CC[NH2+]CC1 ZINC001221293006 804769363 /nfs/dbraw/zinc/76/93/63/804769363.db2.gz XYGKNHAOWKPESH-CYBMUJFWSA-N 2 2 274.368 0.656 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C(=O)Nc2ccccc21 ZINC001221309648 804772070 /nfs/dbraw/zinc/77/20/70/804772070.db2.gz UHSLEBFDBGOFME-NWDGAFQWSA-N 2 2 299.334 0.132 20 0 CCADLP COC1CC(CNC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)C1 ZINC001221367592 804788460 /nfs/dbraw/zinc/78/84/60/804788460.db2.gz SZBMQAOWCDGNRR-UZANAETPSA-N 2 2 277.368 0.800 20 0 CCADLP CCCC(C[NH3+])(CCC)NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001221368376 804789521 /nfs/dbraw/zinc/78/95/21/804789521.db2.gz BAURFKVXOPUNRW-LBPRGKRZSA-N 3 2 281.404 0.693 20 0 CCADLP C[C@H]1CC[NH2+][C@@H](C(=O)NCCOc2cc[nH+]cc2)C1 ZINC001221394288 804799418 /nfs/dbraw/zinc/79/94/18/804799418.db2.gz ZBENBMXZEVGJDX-WCQYABFASA-N 2 2 263.341 0.965 20 0 CCADLP Cn1c[nH+]cc1-c1ccc(S(=O)(=O)C2C[NH2+]C2)cc1 ZINC001243071082 807029351 /nfs/dbraw/zinc/02/93/51/807029351.db2.gz KVQINLUIGWMHSZ-UHFFFAOYSA-N 2 2 277.349 0.833 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1[NH2+]CCO ZINC001227848913 805398327 /nfs/dbraw/zinc/39/83/27/805398327.db2.gz XLHVWQHTWGUCLB-CHWSQXEVSA-N 2 2 280.372 0.283 20 0 CCADLP CCOCCC[NH+]1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001229723528 805551158 /nfs/dbraw/zinc/55/11/58/805551158.db2.gz RHOVUZSTOPMENR-UHFFFAOYSA-N 2 2 294.399 0.959 20 0 CCADLP COc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC001245979585 807105673 /nfs/dbraw/zinc/10/56/73/807105673.db2.gz BVKZATRETBXWRI-OLZOCXBDSA-N 2 2 280.368 0.777 20 0 CCADLP C[C@@H]1C[NH2+]C[C@@H](C[NH2+]C[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC001245987048 807108233 /nfs/dbraw/zinc/10/82/33/807108233.db2.gz AYWYSNJTVMTFMW-QSPRXWTASA-N 3 2 291.439 0.753 20 0 CCADLP C[C@H]1CC[N@H+](C[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)C[C@@H]1C[NH3+] ZINC001246022324 807119846 /nfs/dbraw/zinc/11/98/46/807119846.db2.gz QRGMUBHLJGWXOA-QSPRXWTASA-N 3 2 291.439 0.834 20 0 CCADLP C[C@H]1CC[N@@H+](C[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)C[C@@H]1C[NH3+] ZINC001246022324 807119850 /nfs/dbraw/zinc/11/98/50/807119850.db2.gz QRGMUBHLJGWXOA-QSPRXWTASA-N 3 2 291.439 0.834 20 0 CCADLP O[C@H](C[N@@H+]1CCC[C@]12CCC[NH2+]C2)CC1(O)CC[NH2+]CC1 ZINC001246028643 807125655 /nfs/dbraw/zinc/12/56/55/807125655.db2.gz KBWGSBOHEZIFBZ-GJZGRUSLSA-N 3 2 297.443 0.070 20 0 CCADLP O[C@H](C[N@H+]1CCC[C@]12CCC[NH2+]C2)CC1(O)CC[NH2+]CC1 ZINC001246028643 807125659 /nfs/dbraw/zinc/12/56/59/807125659.db2.gz KBWGSBOHEZIFBZ-GJZGRUSLSA-N 3 2 297.443 0.070 20 0 CCADLP [NH3+][C@]12C[C@H]1C[N@H+](C[C@H](O)CCOCc1ccccc1)C2 ZINC001246047743 807133338 /nfs/dbraw/zinc/13/33/38/807133338.db2.gz SRXCLNRBFIOWIG-XHSDSOJGSA-N 2 2 276.380 0.987 20 0 CCADLP [NH3+][C@]12C[C@H]1C[N@@H+](C[C@H](O)CCOCc1ccccc1)C2 ZINC001246047743 807133344 /nfs/dbraw/zinc/13/33/44/807133344.db2.gz SRXCLNRBFIOWIG-XHSDSOJGSA-N 2 2 276.380 0.987 20 0 CCADLP CCOC(=O)N1CCC([NH2+][C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246087648 807148577 /nfs/dbraw/zinc/14/85/77/807148577.db2.gz PTEXAEIMYDIOKE-NWDGAFQWSA-N 2 2 273.352 0.897 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C[C@@H]1C(=O)OC ZINC001246109301 807155365 /nfs/dbraw/zinc/15/53/65/807155365.db2.gz ASYIVHWTULWBPP-UJPOAAIJSA-N 2 2 298.383 0.315 20 0 CCADLP COCCOCCOCC[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246206662 807186188 /nfs/dbraw/zinc/18/61/88/807186188.db2.gz KJSNMZQILJVLTG-OLZOCXBDSA-N 2 2 260.378 0.396 20 0 CCADLP C[C@H]1CC[C@@H]([NH2+]CC2(N(C)C)CC[NH+](C)CC2)C[NH2+]1 ZINC001246181718 807178794 /nfs/dbraw/zinc/17/87/94/807178794.db2.gz XCWYZIJWAZJLMF-UONOGXRCSA-N 3 2 268.449 0.743 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H](n2ccc3cc(C[NH3+])cnc32)C[NH2+]1 ZINC001246188601 807181585 /nfs/dbraw/zinc/18/15/85/807181585.db2.gz JNVCVIVVGCEJTN-OLZOCXBDSA-N 2 2 288.351 0.961 20 0 CCADLP FC(F)(F)c1nc(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)no1 ZINC001246191999 807181711 /nfs/dbraw/zinc/18/17/11/807181711.db2.gz DDMQETWDJPTJDL-SSDOTTSWSA-N 2 2 291.277 0.272 20 0 CCADLP COC(=O)[C@H](O)[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC001246198666 807183958 /nfs/dbraw/zinc/18/39/58/807183958.db2.gz TVCBLBNFLOUPKF-UQOMUDLDSA-N 2 2 292.379 0.992 20 0 CCADLP C[C@H]1CC[C@H]([NH2+]CCN2CCC[N@H+](C)CC2)C[NH2+]1 ZINC001246241112 807196683 /nfs/dbraw/zinc/19/66/83/807196683.db2.gz QASZIYSUUWZHSU-KBPBESRZSA-N 3 2 254.422 0.354 20 0 CCADLP C[C@H]1CC[C@H]([NH2+]CCN2CCC[N@@H+](C)CC2)C[NH2+]1 ZINC001246241112 807196686 /nfs/dbraw/zinc/19/66/86/807196686.db2.gz QASZIYSUUWZHSU-KBPBESRZSA-N 3 2 254.422 0.354 20 0 CCADLP C[C@H]1CC[C@@H]([NH2+]CCN2CCC[N@H+](C)CC2)C[NH2+]1 ZINC001246241114 807196973 /nfs/dbraw/zinc/19/69/73/807196973.db2.gz QASZIYSUUWZHSU-UONOGXRCSA-N 3 2 254.422 0.354 20 0 CCADLP C[C@H]1CC[C@@H]([NH2+]CCN2CCC[N@@H+](C)CC2)C[NH2+]1 ZINC001246241114 807196978 /nfs/dbraw/zinc/19/69/78/807196978.db2.gz QASZIYSUUWZHSU-UONOGXRCSA-N 3 2 254.422 0.354 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N2CC[C@H]([NH3+])c3ccccc32)C[NH2+]1 ZINC001246260007 807199903 /nfs/dbraw/zinc/19/99/03/807199903.db2.gz DCRHLVWUGUSVDK-DRZSPHRISA-N 2 2 275.352 0.800 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CO[C@]3(C2)CCC[NH2+]C3)C[NH2+]1 ZINC001246257839 807200162 /nfs/dbraw/zinc/20/01/62/807200162.db2.gz VDNLKNMBCTUFRP-RFGFWPKPSA-N 3 2 253.390 0.628 20 0 CCADLP O[C@]1(C[NH2+][C@@H]2CCC[NH2+]C2)CCOc2ccccc21 ZINC001246273019 807204743 /nfs/dbraw/zinc/20/47/43/807204743.db2.gz RPVPHTZUBLBQHX-DOMZBBRYSA-N 2 2 262.353 0.998 20 0 CCADLP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)O1 ZINC001246287311 807208417 /nfs/dbraw/zinc/20/84/17/807208417.db2.gz LUYYTFDELGHERQ-ITGHMWBKSA-N 3 2 271.405 0.441 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@@H]1[NH2+][C@H]1CCc2ncsc2C1 ZINC001246312483 807218933 /nfs/dbraw/zinc/21/89/33/807218933.db2.gz XWADUWRQPSUSSL-QXEWZRGKSA-N 2 2 253.371 0.170 20 0 CCADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCN(C(=O)C3CC3)C2)C[NH2+]1 ZINC001246354841 807232484 /nfs/dbraw/zinc/23/24/84/807232484.db2.gz ZPDNGZZRMVQTJE-RTXFEEFZSA-N 2 2 251.374 0.727 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCN(C(=O)C3CCOCC3)C2)C[NH2+]1 ZINC001246361397 807233955 /nfs/dbraw/zinc/23/39/55/807233955.db2.gz OALFQMJEGWRZAE-SNPRPXQTSA-N 2 2 295.427 0.744 20 0 CCADLP COCCOc1cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)ncn1 ZINC001246437201 807251649 /nfs/dbraw/zinc/25/16/49/807251649.db2.gz ZYIFMEXIRXTDRK-NEPJUHHUSA-N 2 2 280.372 0.732 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+]([C@H]2CC[NH2+][C@H](c3ccccc3)C2)C[C@H]1O ZINC001246579773 807300908 /nfs/dbraw/zinc/30/09/08/807300908.db2.gz GVISXHURFQWGEZ-YHUYYLMFSA-N 3 2 275.396 0.731 20 0 CCADLP [NH3+]C[C@H]1C[N@H+]([C@H]2CC[NH2+][C@H](c3ccccc3)C2)C[C@H]1O ZINC001246579773 807300915 /nfs/dbraw/zinc/30/09/15/807300915.db2.gz GVISXHURFQWGEZ-YHUYYLMFSA-N 3 2 275.396 0.731 20 0 CCADLP CC[C@@H]1CC([N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)C[C@@H](CC)[NH2+]1 ZINC001246646275 807343708 /nfs/dbraw/zinc/34/37/08/807343708.db2.gz XAPUFYVHFMIVHG-FMKPAKJESA-N 3 2 280.460 0.933 20 0 CCADLP CC[C@@H]1CC([N@H+]2CCN[C@]3(CC[NH2+]C3)C2)C[C@@H](CC)[NH2+]1 ZINC001246646275 807343717 /nfs/dbraw/zinc/34/37/17/807343717.db2.gz XAPUFYVHFMIVHG-FMKPAKJESA-N 3 2 280.460 0.933 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([N@@H+]2CCCC23CC[NH2+]CC3)CN1 ZINC001246650208 807346023 /nfs/dbraw/zinc/34/60/23/807346023.db2.gz BHYKEMVRZXZSBW-RYUDHWBXSA-N 2 2 267.373 0.108 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([N@H+]2CCCC23CC[NH2+]CC3)CN1 ZINC001246650208 807346032 /nfs/dbraw/zinc/34/60/32/807346032.db2.gz BHYKEMVRZXZSBW-RYUDHWBXSA-N 2 2 267.373 0.108 20 0 CCADLP C[C@@H]1C[C@H]([N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@H]32)CC[NH2+]1 ZINC001246652782 807348549 /nfs/dbraw/zinc/34/85/49/807348549.db2.gz HPIJQXYZOGHPOW-DHGKCCLASA-N 2 2 254.374 0.599 20 0 CCADLP C[C@@H]1C[C@H]([N@H+]2CCO[C@@H]3C[C@H](CO)C[C@H]32)CC[NH2+]1 ZINC001246652782 807348558 /nfs/dbraw/zinc/34/85/58/807348558.db2.gz HPIJQXYZOGHPOW-DHGKCCLASA-N 2 2 254.374 0.599 20 0 CCADLP C1C[NH2+]C[C@@H]([NH+]2CCC(OC3CC[NH2+]CC3)CC2)C1 ZINC001246663747 807349855 /nfs/dbraw/zinc/34/98/55/807349855.db2.gz QECJHXNPPKSYIC-ZDUSSCGKSA-N 3 2 267.417 0.971 20 0 CCADLP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)C[NH2+]1 ZINC001246684153 807354355 /nfs/dbraw/zinc/35/43/55/807354355.db2.gz KZZKNYGSYDKTJI-XLWJZTARSA-N 3 2 265.401 0.580 20 0 CCADLP C[C@@H]1CC[C@@H]([N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)C[NH2+]1 ZINC001246684153 807354364 /nfs/dbraw/zinc/35/43/64/807354364.db2.gz KZZKNYGSYDKTJI-XLWJZTARSA-N 3 2 265.401 0.580 20 0 CCADLP C[C@H]1CC[C@H](N2CC[N@H+](CC(N)=O)C(C)(C)C2)C[NH2+]1 ZINC001246820954 807394480 /nfs/dbraw/zinc/39/44/80/807394480.db2.gz RJYCGCIEKQZYFV-RYUDHWBXSA-N 2 2 268.405 0.008 20 0 CCADLP C[C@H]1CC[C@H](N2CC[N@@H+](CC(N)=O)C(C)(C)C2)C[NH2+]1 ZINC001246820954 807394488 /nfs/dbraw/zinc/39/44/88/807394488.db2.gz RJYCGCIEKQZYFV-RYUDHWBXSA-N 2 2 268.405 0.008 20 0 CCADLP COC(=O)C1C[C@@H]2CC([N@@H+]3C[C@H]4CC[C@@]4([NH3+])C3)C[C@H](C1)[NH2+]2 ZINC001246865152 807413408 /nfs/dbraw/zinc/41/34/08/807413408.db2.gz YCTBJQFBURJCIY-IESZSNIWSA-N 3 2 293.411 0.482 20 0 CCADLP COC(=O)C1C[C@@H]2CC([N@H+]3C[C@H]4CC[C@@]4([NH3+])C3)C[C@H](C1)[NH2+]2 ZINC001246865152 807413411 /nfs/dbraw/zinc/41/34/11/807413411.db2.gz YCTBJQFBURJCIY-IESZSNIWSA-N 3 2 293.411 0.482 20 0 CCADLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246927504 807430397 /nfs/dbraw/zinc/43/03/97/807430397.db2.gz WLTFUNXGNOJMAZ-STQMWFEESA-N 2 2 280.372 0.499 20 0 CCADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246927504 807430401 /nfs/dbraw/zinc/43/04/01/807430401.db2.gz WLTFUNXGNOJMAZ-STQMWFEESA-N 2 2 280.372 0.499 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCOC(C)(C)C2)C[C@@H]1[NH3+] ZINC001246929991 807431587 /nfs/dbraw/zinc/43/15/87/807431587.db2.gz JCFUAVWNZNPBPE-MXWKQRLJSA-N 2 2 256.346 0.376 20 0 CCADLP COC(=O)[C@@H]1C[N@H+]([C@@H]2CCOC(C)(C)C2)C[C@@H]1[NH3+] ZINC001246929991 807431593 /nfs/dbraw/zinc/43/15/93/807431593.db2.gz JCFUAVWNZNPBPE-MXWKQRLJSA-N 2 2 256.346 0.376 20 0 CCADLP C[C@H]1C[C@@H]([N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)CC[NH2+]1 ZINC001246956616 807440113 /nfs/dbraw/zinc/44/01/13/807440113.db2.gz ZJKUKXFBSNCIIJ-MJBXVCDLSA-N 3 2 282.432 0.269 20 0 CCADLP C[C@H]1C[C@@H]([N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)CC[NH2+]1 ZINC001246956616 807440118 /nfs/dbraw/zinc/44/01/18/807440118.db2.gz ZJKUKXFBSNCIIJ-MJBXVCDLSA-N 3 2 282.432 0.269 20 0 CCADLP C[C@@H]1CC[C@H]([N@@H+]2CCC(=O)N3CCC[C@@H]3C2)C[NH2+]1 ZINC001246998153 807451762 /nfs/dbraw/zinc/45/17/62/807451762.db2.gz XNBSQLZJVXRWPA-FRRDWIJNSA-N 2 2 251.374 0.824 20 0 CCADLP C[C@@H]1CC[C@H]([N@H+]2CCC(=O)N3CCC[C@@H]3C2)C[NH2+]1 ZINC001246998153 807451766 /nfs/dbraw/zinc/45/17/66/807451766.db2.gz XNBSQLZJVXRWPA-FRRDWIJNSA-N 2 2 251.374 0.824 20 0 CCADLP CCOc1ccc(-c2noc(C[C@@H]([NH3+])C[NH3+])n2)cc1 ZINC001249128461 807544571 /nfs/dbraw/zinc/54/45/71/807544571.db2.gz CLLOURCCKOODKT-SNVBAGLBSA-N 2 2 262.313 0.964 20 0 CCADLP Cn1cc2cccc(-c3noc(C[C@@H]([NH3+])C[NH3+])n3)c2n1 ZINC001249128484 807545156 /nfs/dbraw/zinc/54/51/56/807545156.db2.gz DGNCBOWVGBTGRV-SECBINFHSA-N 2 2 272.312 0.452 20 0 CCADLP [NH3+]C[C@H]([NH3+])Cc1nc(-c2cccnc2OC(F)F)no1 ZINC001249129635 807545292 /nfs/dbraw/zinc/54/52/92/807545292.db2.gz YTGSDEVOHHOCOC-ZCFIWIBFSA-N 2 2 285.254 0.562 20 0 CCADLP [NH3+]CCNCc1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001249265378 807548753 /nfs/dbraw/zinc/54/87/53/807548753.db2.gz GWHCSKQKOOGDEE-UHFFFAOYSA-N 2 2 284.323 0.971 20 0 CCADLP C[NH+]1CCN(c2cc(CC[NH+]3CCOCC3)ccn2)CC1 ZINC001250277804 807588553 /nfs/dbraw/zinc/58/85/53/807588553.db2.gz NUZBQWYOTVBXPK-UHFFFAOYSA-N 2 2 290.411 0.708 20 0 CCADLP COc1cc(NC[C@@H](O)C[NH+]2CCOCC2)[nH+]cc1C ZINC001251012147 807641348 /nfs/dbraw/zinc/64/13/48/807641348.db2.gz RAHBYYNYWGETHU-GFCCVEGCSA-N 2 2 281.356 0.504 20 0 CCADLP CCC[C@H](O)C[NH2+]CCC(=O)NCCc1c[nH]c[nH+]1 ZINC001252803604 807960914 /nfs/dbraw/zinc/96/09/14/807960914.db2.gz UPGWDMVOWCKOAW-LBPRGKRZSA-N 2 2 268.361 0.209 20 0 CCADLP CCC[C@H](O)C[NH2+]CCC(=O)NCCc1c[nH+]c[nH]1 ZINC001252803604 807960921 /nfs/dbraw/zinc/96/09/21/807960921.db2.gz UPGWDMVOWCKOAW-LBPRGKRZSA-N 2 2 268.361 0.209 20 0 CCADLP C[NH+]1CCC(CO)([NH2+]C[C@@H](O)c2ccc(F)cc2)CC1 ZINC001252870562 807979750 /nfs/dbraw/zinc/97/97/50/807979750.db2.gz KMWPMQQVHCVYCO-CQSZACIVSA-N 2 2 282.359 0.905 20 0 CCADLP OC1(C[NH2+][C@@H]2CC[N@H+](CC3CCOCC3)C2)CCOCC1 ZINC001252979455 807998396 /nfs/dbraw/zinc/99/83/96/807998396.db2.gz RXJLUAWLJCXJRV-OAHLLOKOSA-N 2 2 298.427 0.618 20 0 CCADLP OC1(C[NH2+][C@@H]2CC[N@@H+](CC3CCOCC3)C2)CCOCC1 ZINC001252979455 807998399 /nfs/dbraw/zinc/99/83/99/807998399.db2.gz RXJLUAWLJCXJRV-OAHLLOKOSA-N 2 2 298.427 0.618 20 0 CCADLP C[C@](O)(C[NH2+][C@@H](Cc1c[nH+]c[nH]1)C(N)=O)c1ccccc1 ZINC001253127090 808007796 /nfs/dbraw/zinc/00/77/96/808007796.db2.gz MCZYEFHZPGAQFZ-ZFWWWQNUSA-N 2 2 288.351 0.303 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001253187650 808023665 /nfs/dbraw/zinc/02/36/65/808023665.db2.gz GQHLWKPDMPTUNU-UONOGXRCSA-N 2 2 256.390 0.944 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001253187650 808023671 /nfs/dbraw/zinc/02/36/71/808023671.db2.gz GQHLWKPDMPTUNU-UONOGXRCSA-N 2 2 256.390 0.944 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC(N(C)C(C)=O)CC1 ZINC001253191608 808025473 /nfs/dbraw/zinc/02/54/73/808025473.db2.gz AWCSNNPBIJEFAD-OAHLLOKOSA-N 2 2 285.432 0.632 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001253203626 808030353 /nfs/dbraw/zinc/03/03/53/808030353.db2.gz JZBOANKTPAYQCN-AWEZNQCLSA-N 2 2 279.384 0.578 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]C1COC(C)(C)OC1 ZINC001253207246 808032087 /nfs/dbraw/zinc/03/20/87/808032087.db2.gz CFXGRLYPDHSVSM-GFCCVEGCSA-N 2 2 260.378 0.430 20 0 CCADLP COCC[NH2+]C1CC(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001101063504 815168939 /nfs/dbraw/zinc/16/89/39/815168939.db2.gz GIZRXIFGTLVHSR-UHFFFAOYSA-N 2 2 294.399 0.794 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CC(=O)NC1CCCC1 ZINC001253403330 808058091 /nfs/dbraw/zinc/05/80/91/808058091.db2.gz FHKQILOAMFTLIQ-LBPRGKRZSA-N 2 2 271.405 0.384 20 0 CCADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253413096 808064997 /nfs/dbraw/zinc/06/49/97/808064997.db2.gz XXLMILJUTAISCE-AVGNSLFASA-N 3 2 257.422 0.665 20 0 CCADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253413096 808065002 /nfs/dbraw/zinc/06/50/02/808065002.db2.gz XXLMILJUTAISCE-AVGNSLFASA-N 3 2 257.422 0.665 20 0 CCADLP CCCCC[C@@H](O)C[NH2+]CCC(=O)NCCc1c[nH]c[nH+]1 ZINC001253556835 808079420 /nfs/dbraw/zinc/07/94/20/808079420.db2.gz BSBJWWLVBWIBQK-CQSZACIVSA-N 2 2 296.415 0.989 20 0 CCADLP CCCCC[C@@H](O)C[NH2+]CCC(=O)NCCc1c[nH+]c[nH]1 ZINC001253556835 808079425 /nfs/dbraw/zinc/07/94/25/808079425.db2.gz BSBJWWLVBWIBQK-CQSZACIVSA-N 2 2 296.415 0.989 20 0 CCADLP CC(C)[C@@H](O)C[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001253784066 808138512 /nfs/dbraw/zinc/13/85/12/808138512.db2.gz CGNCQHREKQFRQQ-JSGCOSHPSA-N 2 2 256.390 0.846 20 0 CCADLP CC(C)[C@@H](O)C[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001253784066 808138514 /nfs/dbraw/zinc/13/85/14/808138514.db2.gz CGNCQHREKQFRQQ-JSGCOSHPSA-N 2 2 256.390 0.846 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH2+]CCc1[nH]c[nH+]c1C ZINC001253806706 808148350 /nfs/dbraw/zinc/14/83/50/808148350.db2.gz HOFAIRZCSJBNHO-JTQLQIEISA-N 2 2 255.318 0.164 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH2+]CCOc1cc[nH+]cc1 ZINC001253814338 808151909 /nfs/dbraw/zinc/15/19/09/808151909.db2.gz SCNJLGBCICEWHQ-NSHDSACASA-N 2 2 268.313 0.364 20 0 CCADLP Nc1cc[nH+]cc1-c1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC001254134923 808188550 /nfs/dbraw/zinc/18/85/50/808188550.db2.gz KZVJPLDKMINVPZ-UHFFFAOYSA-N 2 2 268.280 0.629 20 0 CCADLP C[N@H+](Cc1cn(CCOCC[NH3+])nn1)Cc1ccccc1 ZINC001254156669 808191704 /nfs/dbraw/zinc/19/17/04/808191704.db2.gz PGXQWRDXXYPUSS-UHFFFAOYSA-N 2 2 289.383 0.885 20 0 CCADLP C[N@@H+](Cc1cn(CCOCC[NH3+])nn1)Cc1ccccc1 ZINC001254156669 808191708 /nfs/dbraw/zinc/19/17/08/808191708.db2.gz PGXQWRDXXYPUSS-UHFFFAOYSA-N 2 2 289.383 0.885 20 0 CCADLP CCOC(=O)C[NH+]1CCC(n2ccc(CC[NH3+])n2)CC1 ZINC001254393029 808230404 /nfs/dbraw/zinc/23/04/04/808230404.db2.gz IPLGRZBHMNVBQW-UHFFFAOYSA-N 2 2 280.372 0.584 20 0 CCADLP CCOC(=O)C[NH+]1CCC(n2ccnc2CC[NH3+])CC1 ZINC001254394317 808230886 /nfs/dbraw/zinc/23/08/86/808230886.db2.gz LGNJYQVWOPZFGM-UHFFFAOYSA-N 2 2 280.372 0.584 20 0 CCADLP CCOC(=O)C[NH+]1CCC(n2c(C)nnc2C[NH3+])CC1 ZINC001254402378 808234582 /nfs/dbraw/zinc/23/45/82/808234582.db2.gz TZONMODPMSKKEN-UHFFFAOYSA-N 2 2 281.360 0.245 20 0 CCADLP O=C1C[C@H](C[NH2+][C@H]2CC3CC[NH+](CC3)C2)CCN1 ZINC001254833085 808282368 /nfs/dbraw/zinc/28/23/68/808282368.db2.gz MPGFZESZYNMVMA-OLZOCXBDSA-N 2 2 251.374 0.587 20 0 CCADLP CN(CC[NH+]1CCOCC1)[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254851492 808288118 /nfs/dbraw/zinc/28/81/18/808288118.db2.gz BRYIBLWXCUGUAO-OAHLLOKOSA-N 2 2 267.417 0.735 20 0 CCADLP C[NH+]1CC(C(=O)N[C@@H](C[NH+]2CCOCC2)C(C)(C)C)C1 ZINC001142604725 815192414 /nfs/dbraw/zinc/19/24/14/815192414.db2.gz GQEJCDVUSIBBEV-ZDUSSCGKSA-N 2 2 283.416 0.411 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH3+] ZINC001255566614 808402974 /nfs/dbraw/zinc/40/29/74/808402974.db2.gz LUABVMAZSDYFNR-TUAOUCFPSA-N 2 2 287.404 0.948 20 0 CCADLP CC[NH+](CC)CC[C@H](C)[NH2+]CCS(C)(=O)=O ZINC001255939114 808438953 /nfs/dbraw/zinc/43/89/53/808438953.db2.gz AFZAHZGJOVEUNZ-NSHDSACASA-N 2 2 250.408 0.741 20 0 CCADLP CCOC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](CCO)CC2)C1 ZINC001256017776 808449654 /nfs/dbraw/zinc/44/96/54/808449654.db2.gz WLXMCWWSUZIPHA-CYBMUJFWSA-N 2 2 285.388 0.264 20 0 CCADLP C[C@]1(O)COCC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256075383 808467422 /nfs/dbraw/zinc/46/74/22/808467422.db2.gz IEUGWXGCFPMQOQ-CQSZACIVSA-N 2 2 254.374 0.696 20 0 CCADLP C[C@]1(O)COCC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256075383 808467430 /nfs/dbraw/zinc/46/74/30/808467430.db2.gz IEUGWXGCFPMQOQ-CQSZACIVSA-N 2 2 254.374 0.696 20 0 CCADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H](C)CC(=O)N1CCOCC1 ZINC001256346269 808511577 /nfs/dbraw/zinc/51/15/77/808511577.db2.gz DKCJPYWZTAWWGY-AWEZNQCLSA-N 2 2 294.399 0.842 20 0 CCADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H](C)CC(=O)N1CCOCC1 ZINC001256346269 808511579 /nfs/dbraw/zinc/51/15/79/808511579.db2.gz DKCJPYWZTAWWGY-AWEZNQCLSA-N 2 2 294.399 0.842 20 0 CCADLP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@H](C)Cc1ccccn1 ZINC001256397708 808525451 /nfs/dbraw/zinc/52/54/51/808525451.db2.gz LJECZMCMTLYDGB-DGCLKSJQSA-N 2 2 265.357 0.883 20 0 CCADLP NC(=O)[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC001256599480 808538805 /nfs/dbraw/zinc/53/88/05/808538805.db2.gz SQOOHRJHNRRQFU-CQSZACIVSA-N 2 2 277.368 0.087 20 0 CCADLP O=C1C[N@@H+](C2CCC([NH+]3CCOCC3)CC2)CCN1 ZINC001256688828 808550579 /nfs/dbraw/zinc/55/05/79/808550579.db2.gz LRYUGXWEURITHO-UHFFFAOYSA-N 2 2 267.373 0.062 20 0 CCADLP O=C1C[N@H+](C2CCC([NH+]3CCOCC3)CC2)CCN1 ZINC001256688828 808550583 /nfs/dbraw/zinc/55/05/83/808550583.db2.gz LRYUGXWEURITHO-UHFFFAOYSA-N 2 2 267.373 0.062 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2(CO)CC[NH+](C)CC2)C1 ZINC001257045989 808583469 /nfs/dbraw/zinc/58/34/69/808583469.db2.gz FMDUMQDUNPXFMS-CHWSQXEVSA-N 2 2 284.400 0.765 20 0 CCADLP C[C@@H]1CC([NH2+]C2(CO)CC[NH+](C)CC2)C[C@@H](C)O1 ZINC001257086566 808590599 /nfs/dbraw/zinc/59/05/99/808590599.db2.gz IVKLSJHIKXBGJV-VXGBXAGGSA-N 2 2 256.390 0.989 20 0 CCADLP CCOC(=O)CC1CCC([NH2+][C@@H]2COC[C@H]2[NH3+])CC1 ZINC001258024694 808649698 /nfs/dbraw/zinc/64/96/98/808649698.db2.gz GTXVSXUJGDMHKY-FIYWTHMPSA-N 2 2 270.373 0.814 20 0 CCADLP CC[N@@H+]1CCO[C@@H]2C[NH+]([C@H](C)CCC(=O)OC)C[C@@H]2C1 ZINC001258371195 808678334 /nfs/dbraw/zinc/67/83/34/808678334.db2.gz PJGTVWFAVUVNLU-HZSPNIEDSA-N 2 2 284.400 0.981 20 0 CCADLP CC[N@H+]1CCO[C@@H]2C[NH+]([C@H](C)CCC(=O)OC)C[C@@H]2C1 ZINC001258371195 808678338 /nfs/dbraw/zinc/67/83/38/808678338.db2.gz PJGTVWFAVUVNLU-HZSPNIEDSA-N 2 2 284.400 0.981 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@@H+]([C@H](C)CCC(=O)OC)C[C@@H]2C1 ZINC001258371195 808678341 /nfs/dbraw/zinc/67/83/41/808678341.db2.gz PJGTVWFAVUVNLU-HZSPNIEDSA-N 2 2 284.400 0.981 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@H+]([C@H](C)CCC(=O)OC)C[C@@H]2C1 ZINC001258371195 808678343 /nfs/dbraw/zinc/67/83/43/808678343.db2.gz PJGTVWFAVUVNLU-HZSPNIEDSA-N 2 2 284.400 0.981 20 0 CCADLP [NH3+][C@@H]1COC[C@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC001258505532 808692002 /nfs/dbraw/zinc/69/20/02/808692002.db2.gz WYNZRZLYXACGFV-HUUCEWRRSA-N 2 2 261.369 0.971 20 0 CCADLP CCC[NH+]1CCC(n2c[nH+]cc2C[C@@H]([NH3+])CO)CC1 ZINC001258767022 808700256 /nfs/dbraw/zinc/70/02/56/808700256.db2.gz KRHSPFVERSQKAH-GFCCVEGCSA-N 3 2 266.389 0.792 20 0 CCADLP CCC[NH+]1CCC(N2CC[NH+](CCC[NH3+])CC2)CC1 ZINC001258768817 808701976 /nfs/dbraw/zinc/70/19/76/808701976.db2.gz YFNIWTCEPVGIQJ-UHFFFAOYSA-N 3 2 268.449 0.827 20 0 CCADLP [NH3+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCO1 ZINC001262008106 809151561 /nfs/dbraw/zinc/15/15/61/809151561.db2.gz AVLQYKGKJAZAJM-HBNTYKKESA-N 2 2 264.329 0.089 20 0 CCADLP [NH3+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCO1 ZINC001262008106 809151565 /nfs/dbraw/zinc/15/15/65/809151565.db2.gz AVLQYKGKJAZAJM-HBNTYKKESA-N 2 2 264.329 0.089 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CC[C@H](CF)C2)C1 ZINC001262052833 809173771 /nfs/dbraw/zinc/17/37/71/809173771.db2.gz IWKONHVKYDKBSN-VXGBXAGGSA-N 2 2 280.347 0.985 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CC[C@H](CF)C2)C1 ZINC001262052833 809173776 /nfs/dbraw/zinc/17/37/76/809173776.db2.gz IWKONHVKYDKBSN-VXGBXAGGSA-N 2 2 280.347 0.985 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC001263110229 809449446 /nfs/dbraw/zinc/44/94/46/809449446.db2.gz QQYAYPQAPJKFMG-WRWGMCAJSA-N 2 2 262.357 0.767 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC001263110330 809449731 /nfs/dbraw/zinc/44/97/31/809449731.db2.gz SYKOWYSHRPSFEO-GMXVVIOVSA-N 2 2 262.357 0.799 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC001263110330 809449736 /nfs/dbraw/zinc/44/97/36/809449736.db2.gz SYKOWYSHRPSFEO-GMXVVIOVSA-N 2 2 262.357 0.799 20 0 CCADLP Nc1ccc(C(=O)NCC[NH+]2CCC([NH3+])CC2)cc1 ZINC001263192187 809476657 /nfs/dbraw/zinc/47/66/57/809476657.db2.gz QIZBWPKRHVTGAU-UHFFFAOYSA-N 2 2 262.357 0.422 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1(C[NH3+])CCOCC1 ZINC001263238776 809491205 /nfs/dbraw/zinc/49/12/05/809491205.db2.gz TYONOVHFBDZRJO-UHFFFAOYSA-N 2 2 266.345 0.227 20 0 CCADLP Cn1c[nH+]cc1C1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001263330793 809511833 /nfs/dbraw/zinc/51/18/33/809511833.db2.gz VRMMOXTZPYSZSQ-HAQNSBGRSA-N 2 2 262.357 0.863 20 0 CCADLP COc1ccc(OC[C@@H](O)C[NH2+]CC2C[NH+](C)C2)cc1 ZINC000379445181 809513075 /nfs/dbraw/zinc/51/30/75/809513075.db2.gz UEQYRAUYTGIJTP-ZDUSSCGKSA-N 2 2 280.368 0.586 20 0 CCADLP CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001076504779 815305699 /nfs/dbraw/zinc/30/56/99/815305699.db2.gz QSZLERCSIWKHJF-WCQYABFASA-N 2 2 262.357 0.813 20 0 CCADLP CC[N@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001076504779 815305704 /nfs/dbraw/zinc/30/57/04/815305704.db2.gz QSZLERCSIWKHJF-WCQYABFASA-N 2 2 262.357 0.813 20 0 CCADLP CCOCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001265792857 809854377 /nfs/dbraw/zinc/85/43/77/809854377.db2.gz WLDUMPOVXINTRO-STQMWFEESA-N 2 2 294.399 0.576 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001265844043 809874282 /nfs/dbraw/zinc/87/42/82/809874282.db2.gz RSIFEZIUDUGHKP-VHSXEESVSA-N 2 2 254.334 0.081 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001265851356 809876095 /nfs/dbraw/zinc/87/60/95/809876095.db2.gz MYXSSWXDZQBNRG-QWRGUYRKSA-N 2 2 268.361 0.092 20 0 CCADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C[NH2+]CCF ZINC001279162494 809971097 /nfs/dbraw/zinc/97/10/97/809971097.db2.gz RVHHERPKOYGDPS-QWRGUYRKSA-N 2 2 268.336 0.606 20 0 CCADLP COCC[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC001280522266 810028038 /nfs/dbraw/zinc/02/80/38/810028038.db2.gz MGEDSMAUOCCFBJ-LBPRGKRZSA-N 2 2 294.399 0.863 20 0 CCADLP COCC[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC001280522266 810028045 /nfs/dbraw/zinc/02/80/45/810028045.db2.gz MGEDSMAUOCCFBJ-LBPRGKRZSA-N 2 2 294.399 0.863 20 0 CCADLP CN(CC[NH2+]Cc1nccn1C)C(=O)CCn1cc[nH+]c1 ZINC001267409756 811285577 /nfs/dbraw/zinc/28/55/77/811285577.db2.gz BEGFJJNZSVLIHZ-UHFFFAOYSA-N 2 2 290.371 0.255 20 0 CCADLP CN(CC[NH2+]CCC[C@@H]1CCOC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001267445496 811311238 /nfs/dbraw/zinc/31/12/38/811311238.db2.gz BRTNUABRFMPSEY-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cnco3)CC2)CC1 ZINC001140931622 811557767 /nfs/dbraw/zinc/55/77/67/811557767.db2.gz NDPSECKAUUPLBW-UHFFFAOYSA-N 2 2 292.383 0.661 20 0 CCADLP N=c1c(N)c(Cl)ccn1C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218567121 811585314 /nfs/dbraw/zinc/58/53/14/811585314.db2.gz NKKACXFZXRUIFX-QMMMGPOBSA-N 2 2 280.719 0.136 20 0 CCADLP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001077259097 815469329 /nfs/dbraw/zinc/46/93/29/815469329.db2.gz IBOIVXKBZSNDEK-YNEHKIRRSA-N 2 2 292.383 0.015 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H](C[NH2+]CC2CC2)C1 ZINC001027171429 811970298 /nfs/dbraw/zinc/97/02/98/811970298.db2.gz ZKEZJBGTEBLLQQ-CYBMUJFWSA-N 2 2 276.384 0.811 20 0 CCADLP CNS(=O)(=O)c1ccc(NC(=[NH2+])SCC[NH3+])cc1 ZINC001167914326 812153145 /nfs/dbraw/zinc/15/31/45/812153145.db2.gz KJRXTCAEHUZSJY-UHFFFAOYSA-N 2 2 288.398 0.633 20 0 CCADLP CC(C)OCC[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001268085528 812217937 /nfs/dbraw/zinc/21/79/37/812217937.db2.gz NCDLTZPTJICLBW-GFCCVEGCSA-N 2 2 282.388 0.814 20 0 CCADLP c1cc(C2C[NH2+]C2)nc(N[C@@H]2CCC[N@@H+](C3COC3)C2)n1 ZINC001168369985 815509977 /nfs/dbraw/zinc/50/99/77/815509977.db2.gz ROHYODSWXXKPEV-GFCCVEGCSA-N 2 2 289.383 0.439 20 0 CCADLP c1cc(C2C[NH2+]C2)nc(N[C@@H]2CCC[N@H+](C3COC3)C2)n1 ZINC001168369985 815509982 /nfs/dbraw/zinc/50/99/82/815509982.db2.gz ROHYODSWXXKPEV-GFCCVEGCSA-N 2 2 289.383 0.439 20 0 CCADLP CC(C)OCC[NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001268093967 812241321 /nfs/dbraw/zinc/24/13/21/812241321.db2.gz RKVNQOCXDODQSZ-GFCCVEGCSA-N 2 2 282.388 0.814 20 0 CCADLP C[C@@H](CC[NH2+]CCCO)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001268377686 812531762 /nfs/dbraw/zinc/53/17/62/812531762.db2.gz MFSJNEYGTFVJRS-STQMWFEESA-N 2 2 294.399 0.312 20 0 CCADLP CCN(CC[NH2+]CCF)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001268460161 812601982 /nfs/dbraw/zinc/60/19/82/812601982.db2.gz QPWZNYJPCXPQIQ-LBPRGKRZSA-N 2 2 282.363 0.853 20 0 CCADLP [NH2+]=C(Nc1cnc2c(c1)OCC(=O)N2)SCC[NH3+] ZINC001167915586 812622834 /nfs/dbraw/zinc/62/28/34/812622834.db2.gz VBAOUZGVVHAMBD-UHFFFAOYSA-N 2 2 267.314 0.451 20 0 CCADLP COc1ncc(-c2noc([C@H]3C[NH2+]C[C@@H]3[NH3+])n2)cc1C ZINC001211757571 812685959 /nfs/dbraw/zinc/68/59/59/812685959.db2.gz FXIJUGMWGROFDK-UWVGGRQHSA-N 2 2 275.312 0.463 20 0 CCADLP COc1nc(C)ccc1-c1noc([C@H]2C[NH2+]C[C@@H]2[NH3+])n1 ZINC001211757538 812686252 /nfs/dbraw/zinc/68/62/52/812686252.db2.gz DIXQQLNESAWCQQ-UWVGGRQHSA-N 2 2 275.312 0.463 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CC4CC4)C[C@H]32)C1 ZINC001075643964 812735725 /nfs/dbraw/zinc/73/57/25/812735725.db2.gz QWQMRYMEGRAXSB-ZNMIVQPWSA-N 2 2 293.411 0.260 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CC4CC4)C[C@H]32)C1 ZINC001075643964 812735733 /nfs/dbraw/zinc/73/57/33/812735733.db2.gz QWQMRYMEGRAXSB-ZNMIVQPWSA-N 2 2 293.411 0.260 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](CC4CC4)C[C@H]32)C1 ZINC001075643964 812735740 /nfs/dbraw/zinc/73/57/40/812735740.db2.gz QWQMRYMEGRAXSB-ZNMIVQPWSA-N 2 2 293.411 0.260 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC4CC4)C[C@H]32)C1 ZINC001075643964 812735747 /nfs/dbraw/zinc/73/57/47/812735747.db2.gz QWQMRYMEGRAXSB-ZNMIVQPWSA-N 2 2 293.411 0.260 20 0 CCADLP CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001268693873 813016029 /nfs/dbraw/zinc/01/60/29/813016029.db2.gz PFXPGWQXXLEVOS-WDEREUQCSA-N 2 2 250.346 0.560 20 0 CCADLP CCOCC[N@H+](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001268753833 813066550 /nfs/dbraw/zinc/06/65/50/813066550.db2.gz XRMKRVPQHZOOBH-LLVKDONJSA-N 2 2 268.361 0.425 20 0 CCADLP CCOCC[N@@H+](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001268753833 813066555 /nfs/dbraw/zinc/06/65/55/813066555.db2.gz XRMKRVPQHZOOBH-LLVKDONJSA-N 2 2 268.361 0.425 20 0 CCADLP CC[NH2+]C[C@@H](NC(=O)CCc1c[nH+]cn1C)C1CC1 ZINC001269140510 813234969 /nfs/dbraw/zinc/23/49/69/813234969.db2.gz LGIBNNRIGURCNR-CYBMUJFWSA-N 2 2 264.373 0.857 20 0 CCADLP O=C(NC[C@@H]1CC[N@@H+](CCO)C1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001028796979 813521930 /nfs/dbraw/zinc/52/19/30/813521930.db2.gz KADCGZSMNHAEFW-RYUDHWBXSA-N 2 2 292.383 0.260 20 0 CCADLP O=C(NC[C@@H]1CC[N@H+](CCO)C1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001028796979 813521934 /nfs/dbraw/zinc/52/19/34/813521934.db2.gz KADCGZSMNHAEFW-RYUDHWBXSA-N 2 2 292.383 0.260 20 0 CCADLP Cc1oncc1C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126437237 813587197 /nfs/dbraw/zinc/58/71/97/813587197.db2.gz XBQHJJQPFHZFJS-UHFFFAOYSA-N 2 2 277.328 0.545 20 0 CCADLP Cc1nccnc1C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126448834 813640791 /nfs/dbraw/zinc/64/07/91/813640791.db2.gz ZJQGCYWMHHEFLI-UHFFFAOYSA-N 2 2 288.355 0.347 20 0 CCADLP C[N@@H+]1CCO[C@@]2(CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001270196133 813672433 /nfs/dbraw/zinc/67/24/33/813672433.db2.gz UCBVILHYISXSLS-HNNXBMFYSA-N 2 2 292.383 0.596 20 0 CCADLP C[N@H+]1CCO[C@@]2(CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001270196133 813672435 /nfs/dbraw/zinc/67/24/35/813672435.db2.gz UCBVILHYISXSLS-HNNXBMFYSA-N 2 2 292.383 0.596 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@@H]1C[NH2+]CCCO ZINC001270245055 813693816 /nfs/dbraw/zinc/69/38/16/813693816.db2.gz WXEHHDAKGVJVOQ-CYBMUJFWSA-N 2 2 294.399 0.316 20 0 CCADLP CCOCC[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001167992150 813973669 /nfs/dbraw/zinc/97/36/69/813973669.db2.gz SEBPUYQTZMYJFE-GFCCVEGCSA-N 2 2 282.388 0.721 20 0 CCADLP CCOCC[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001167992150 813973672 /nfs/dbraw/zinc/97/36/72/813973672.db2.gz SEBPUYQTZMYJFE-GFCCVEGCSA-N 2 2 282.388 0.721 20 0 CCADLP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCF)C1 ZINC001029552871 814418456 /nfs/dbraw/zinc/41/84/56/814418456.db2.gz GEXKTHDHNDHIAW-MELADBBJSA-N 2 2 283.391 0.973 20 0 CCADLP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCF)C1 ZINC001029552871 814418462 /nfs/dbraw/zinc/41/84/62/814418462.db2.gz GEXKTHDHNDHIAW-MELADBBJSA-N 2 2 283.391 0.973 20 0 CCADLP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCF)C1 ZINC001029552871 814418468 /nfs/dbraw/zinc/41/84/68/814418468.db2.gz GEXKTHDHNDHIAW-MELADBBJSA-N 2 2 283.391 0.973 20 0 CCADLP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCF)C1 ZINC001029552871 814418471 /nfs/dbraw/zinc/41/84/71/814418471.db2.gz GEXKTHDHNDHIAW-MELADBBJSA-N 2 2 283.391 0.973 20 0 CCADLP CCOCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001271458748 814453212 /nfs/dbraw/zinc/45/32/12/814453212.db2.gz PHBGNHNVQYVZEU-KBPBESRZSA-N 2 2 294.399 0.746 20 0 CCADLP COCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001271498326 814466063 /nfs/dbraw/zinc/46/60/63/814466063.db2.gz GRCPDSQPSUSYGY-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001271498326 814466067 /nfs/dbraw/zinc/46/60/67/814466067.db2.gz GRCPDSQPSUSYGY-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCF ZINC001029607705 814478894 /nfs/dbraw/zinc/47/88/94/814478894.db2.gz QVOQLUGMLADGQJ-BETUJISGSA-N 2 2 280.347 0.918 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCF ZINC001029607705 814478900 /nfs/dbraw/zinc/47/89/00/814478900.db2.gz QVOQLUGMLADGQJ-BETUJISGSA-N 2 2 280.347 0.918 20 0 CCADLP CC(=O)NCC[NH+]1CCC([NH2+]CCC[C@H](C)O)CC1 ZINC001271898329 814623038 /nfs/dbraw/zinc/62/30/38/814623038.db2.gz FTYXEEAYSFUGJV-LBPRGKRZSA-N 2 2 271.405 0.338 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1CCF ZINC001088494930 814744843 /nfs/dbraw/zinc/74/48/43/814744843.db2.gz UDKASBJWZCUUIM-GRYCIOLGSA-N 2 2 257.353 0.629 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1CCF ZINC001088494930 814744847 /nfs/dbraw/zinc/74/48/47/814744847.db2.gz UDKASBJWZCUUIM-GRYCIOLGSA-N 2 2 257.353 0.629 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1CCF ZINC001088494930 814744852 /nfs/dbraw/zinc/74/48/52/814744852.db2.gz UDKASBJWZCUUIM-GRYCIOLGSA-N 2 2 257.353 0.629 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1CCF ZINC001088494930 814744857 /nfs/dbraw/zinc/74/48/57/814744857.db2.gz UDKASBJWZCUUIM-GRYCIOLGSA-N 2 2 257.353 0.629 20 0 CCADLP CC[C@@H](C[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1)OC ZINC001030161845 815854774 /nfs/dbraw/zinc/85/47/74/815854774.db2.gz QWLDJKBPMZIPKP-STQMWFEESA-N 2 2 269.389 0.306 20 0 CCADLP CC[C@@H](C[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1)OC ZINC001030161845 815854780 /nfs/dbraw/zinc/85/47/80/815854780.db2.gz QWLDJKBPMZIPKP-STQMWFEESA-N 2 2 269.389 0.306 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001030335487 815980049 /nfs/dbraw/zinc/98/00/49/815980049.db2.gz ZWRXHAJQNBLJOW-DMDPSCGWSA-N 2 2 269.389 0.162 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001030335487 815980052 /nfs/dbraw/zinc/98/00/52/815980052.db2.gz ZWRXHAJQNBLJOW-DMDPSCGWSA-N 2 2 269.389 0.162 20 0 CCADLP O=C(NC1C[NH+](CCCF)C1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001030349027 815988250 /nfs/dbraw/zinc/98/82/50/815988250.db2.gz YZEKIMFBNSFTQR-CHWSQXEVSA-N 2 2 285.363 0.010 20 0 CCADLP O=C(NC1C[NH+](CCCF)C1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001030349027 815988253 /nfs/dbraw/zinc/98/82/53/815988253.db2.gz YZEKIMFBNSFTQR-CHWSQXEVSA-N 2 2 285.363 0.010 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030594313 816132724 /nfs/dbraw/zinc/13/27/24/816132724.db2.gz HAQOVFBXVAVCCC-CQSZACIVSA-N 2 2 283.416 0.290 20 0 CCADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030594313 816132726 /nfs/dbraw/zinc/13/27/26/816132726.db2.gz HAQOVFBXVAVCCC-CQSZACIVSA-N 2 2 283.416 0.290 20 0 CCADLP CCC[N@@H+]1CCC[C@@H](C(=O)NC2C[NH+](C[C@H](C)O)C2)C1 ZINC001030826375 816321169 /nfs/dbraw/zinc/32/11/69/816321169.db2.gz YADRIRMGOLDQHT-QWHCGFSZSA-N 2 2 283.416 0.290 20 0 CCADLP CCC[N@H+]1CCC[C@@H](C(=O)NC2C[NH+](C[C@H](C)O)C2)C1 ZINC001030826375 816321179 /nfs/dbraw/zinc/32/11/79/816321179.db2.gz YADRIRMGOLDQHT-QWHCGFSZSA-N 2 2 283.416 0.290 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1C[NH+](CCOC2CCC2)C1 ZINC001030963240 816509892 /nfs/dbraw/zinc/50/98/92/816509892.db2.gz LKYFSVRWXGVLGS-SWLSCSKDSA-N 2 2 295.427 0.554 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1C[NH+](CCOC2CCC2)C1 ZINC001030963240 816509897 /nfs/dbraw/zinc/50/98/97/816509897.db2.gz LKYFSVRWXGVLGS-SWLSCSKDSA-N 2 2 295.427 0.554 20 0 CCADLP CC[C@@H](C[NH+]1CC(NC(=O)C[N@@H+]2CCC(C)(C)C2)C1)OC ZINC001030964764 816513338 /nfs/dbraw/zinc/51/33/38/816513338.db2.gz RXVPIVNCPHBMGS-AWEZNQCLSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@@H](C[NH+]1CC(NC(=O)C[N@H+]2CCC(C)(C)C2)C1)OC ZINC001030964764 816513341 /nfs/dbraw/zinc/51/33/41/816513341.db2.gz RXVPIVNCPHBMGS-AWEZNQCLSA-N 2 2 297.443 0.944 20 0 CCADLP COCCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106704763 816860054 /nfs/dbraw/zinc/86/00/54/816860054.db2.gz BRONIMSCYBFOIU-CHWSQXEVSA-N 2 2 294.399 0.673 20 0 CCADLP C[C@@H](O)C[NH+]1CC(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001031235983 816868227 /nfs/dbraw/zinc/86/82/27/816868227.db2.gz LRMANWXQYQMSIU-GFCCVEGCSA-N 2 2 295.427 0.290 20 0 CCADLP C[C@H]1CC[C@@H](C[NH+]2CC(NC(=O)C34CC[NH+](CC3)C4)C2)O1 ZINC001031265484 816915065 /nfs/dbraw/zinc/91/50/65/816915065.db2.gz GLYJKCHTWLQFKN-JSGCOSHPSA-N 2 2 293.411 0.450 20 0 CCADLP O=C(C[NH+]1CCCC1)NC1C[NH+](CC[C@@H]2CCCCO2)C1 ZINC001031389155 817022159 /nfs/dbraw/zinc/02/21/59/817022159.db2.gz DFGDLDGFXCILPI-HNNXBMFYSA-N 2 2 295.427 0.842 20 0 CCADLP CCC[NH+]1CC(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001031787587 817368538 /nfs/dbraw/zinc/36/85/38/817368538.db2.gz DVGOZRIKKXBBRX-ZDUSSCGKSA-N 2 2 276.384 0.904 20 0 CCADLP C[NH+](C)CCOCC[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000353673702 817430182 /nfs/dbraw/zinc/43/01/82/817430182.db2.gz RXWJMZWSXLEVCT-GFCCVEGCSA-N 2 2 252.362 0.955 20 0 CCADLP Cc1ccnc(C[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001124836534 817589239 /nfs/dbraw/zinc/58/92/39/817589239.db2.gz GRGZQMSVBACVMY-GFCCVEGCSA-N 2 2 277.372 0.085 20 0 CCADLP Cc1ccnc(C[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001124836534 817589243 /nfs/dbraw/zinc/58/92/43/817589243.db2.gz GRGZQMSVBACVMY-GFCCVEGCSA-N 2 2 277.372 0.085 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC2CC2)C1 ZINC001032331677 817886195 /nfs/dbraw/zinc/88/61/95/817886195.db2.gz HBDUWFDMWZXTTP-KKUMJFAQSA-N 2 2 293.411 0.402 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC2CC2)C1 ZINC001032331677 817886205 /nfs/dbraw/zinc/88/62/05/817886205.db2.gz HBDUWFDMWZXTTP-KKUMJFAQSA-N 2 2 293.411 0.402 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC2CC2)C1 ZINC001032331677 817886215 /nfs/dbraw/zinc/88/62/15/817886215.db2.gz HBDUWFDMWZXTTP-KKUMJFAQSA-N 2 2 293.411 0.402 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC2CC2)C1 ZINC001032331677 817886224 /nfs/dbraw/zinc/88/62/24/817886224.db2.gz HBDUWFDMWZXTTP-KKUMJFAQSA-N 2 2 293.411 0.402 20 0 CCADLP CC[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C12CCC2 ZINC001078782684 818051802 /nfs/dbraw/zinc/05/18/02/818051802.db2.gz DWGMQFFEVDSOFL-STQMWFEESA-N 2 2 276.384 1.000 20 0 CCADLP CO[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C12CCC2 ZINC000453108026 818209939 /nfs/dbraw/zinc/20/99/39/818209939.db2.gz KDCQHWDFMWHMJH-BFHYXJOUSA-N 2 2 295.427 0.873 20 0 CCADLP CO[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C12CCC2 ZINC000453108026 818209948 /nfs/dbraw/zinc/20/99/48/818209948.db2.gz KDCQHWDFMWHMJH-BFHYXJOUSA-N 2 2 295.427 0.873 20 0 CCADLP CC[N@@H+]1CCn2ncc(CNC(=O)CC[NH+](C)C)c2C1 ZINC001128466500 818268025 /nfs/dbraw/zinc/26/80/25/818268025.db2.gz AABFKFYZLPIURB-UHFFFAOYSA-N 2 2 279.388 0.287 20 0 CCADLP CC[N@H+]1CCn2ncc(CNC(=O)CC[NH+](C)C)c2C1 ZINC001128466500 818268029 /nfs/dbraw/zinc/26/80/29/818268029.db2.gz AABFKFYZLPIURB-UHFFFAOYSA-N 2 2 279.388 0.287 20 0 CCADLP Cc1nc2cccnc2c(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001168734869 818531106 /nfs/dbraw/zinc/53/11/06/818531106.db2.gz CLNIKJHBDPGBEI-UHFFFAOYSA-N 2 2 285.355 0.927 20 0 CCADLP CN(C)c1nccc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001168735945 818541626 /nfs/dbraw/zinc/54/16/26/818541626.db2.gz WVBGASDDSDEVOY-UHFFFAOYSA-N 2 2 263.349 0.137 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cccc3ncnn32)CC1 ZINC001168736194 818543446 /nfs/dbraw/zinc/54/34/46/818543446.db2.gz CAVWLAHJVOAPGT-UHFFFAOYSA-N 2 2 259.317 0.323 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ncnc(Cl)c2N)CC1 ZINC001168737016 818554456 /nfs/dbraw/zinc/55/44/56/818554456.db2.gz USHYFNCRSBMMPH-UHFFFAOYSA-N 2 2 269.740 0.306 20 0 CCADLP COc1nccc(C)c1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168737009 818557906 /nfs/dbraw/zinc/55/79/06/818557906.db2.gz NCBWJVXBYHPRDT-UHFFFAOYSA-N 2 2 263.345 0.993 20 0 CCADLP CCOC(=O)c1ccncc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168740013 818595091 /nfs/dbraw/zinc/59/50/91/818595091.db2.gz ASDNIGLMAYFAPI-UHFFFAOYSA-N 2 2 291.355 0.852 20 0 CCADLP Cc1nc(C(N)=O)ccc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168740440 818601861 /nfs/dbraw/zinc/60/18/61/818601861.db2.gz JMWDUJUXUCPZPS-UHFFFAOYSA-N 2 2 276.344 0.083 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N(C)[C@@H]2CC[N@H+](CCO)C2)c[nH+]1 ZINC001033184423 818633951 /nfs/dbraw/zinc/63/39/51/818633951.db2.gz AGQZDMOUVICTFO-CYBMUJFWSA-N 2 2 294.399 0.452 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N(C)[C@@H]2CC[N@@H+](CCO)C2)c[nH+]1 ZINC001033184423 818633957 /nfs/dbraw/zinc/63/39/57/818633957.db2.gz AGQZDMOUVICTFO-CYBMUJFWSA-N 2 2 294.399 0.452 20 0 CCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1CC[N@H+](CCO)C1 ZINC001033429230 818775043 /nfs/dbraw/zinc/77/50/43/818775043.db2.gz FLKDDWFPEJONCF-JHJVBQTASA-N 2 2 292.383 0.049 20 0 CCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033429230 818775051 /nfs/dbraw/zinc/77/50/51/818775051.db2.gz FLKDDWFPEJONCF-JHJVBQTASA-N 2 2 292.383 0.049 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033453991 818780260 /nfs/dbraw/zinc/78/02/60/818780260.db2.gz AFAGUWWWMNPBON-YPMHNXCESA-N 2 2 280.372 0.520 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033453991 818780266 /nfs/dbraw/zinc/78/02/66/818780266.db2.gz AFAGUWWWMNPBON-YPMHNXCESA-N 2 2 280.372 0.520 20 0 CCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC001033456756 818784055 /nfs/dbraw/zinc/78/40/55/818784055.db2.gz ZYILIVJBHUPNJP-TZMCWYRMSA-N 2 2 292.383 0.521 20 0 CCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001033456756 818784062 /nfs/dbraw/zinc/78/40/62/818784062.db2.gz ZYILIVJBHUPNJP-TZMCWYRMSA-N 2 2 292.383 0.521 20 0 CCADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001033790945 818939915 /nfs/dbraw/zinc/93/99/15/818939915.db2.gz ZZYYLMBAAJCMSG-KGLIPLIRSA-N 2 2 283.416 0.648 20 0 CCADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](C(C)C)C1 ZINC001033790945 818939918 /nfs/dbraw/zinc/93/99/18/818939918.db2.gz ZZYYLMBAAJCMSG-KGLIPLIRSA-N 2 2 283.416 0.648 20 0 CCADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](C(C)C)C1 ZINC001033790945 818939925 /nfs/dbraw/zinc/93/99/25/818939925.db2.gz ZZYYLMBAAJCMSG-KGLIPLIRSA-N 2 2 283.416 0.648 20 0 CCADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](C(C)C)C1 ZINC001033790945 818939932 /nfs/dbraw/zinc/93/99/32/818939932.db2.gz ZZYYLMBAAJCMSG-KGLIPLIRSA-N 2 2 283.416 0.648 20 0 CCADLP CCO[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000701668548 818987684 /nfs/dbraw/zinc/98/76/84/818987684.db2.gz AUPZURDHIQMWHA-STQMWFEESA-N 2 2 260.378 0.036 20 0 CCADLP CCO[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000701668548 818987687 /nfs/dbraw/zinc/98/76/87/818987687.db2.gz AUPZURDHIQMWHA-STQMWFEESA-N 2 2 260.378 0.036 20 0 CCADLP CCO[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000701668548 818987690 /nfs/dbraw/zinc/98/76/90/818987690.db2.gz AUPZURDHIQMWHA-STQMWFEESA-N 2 2 260.378 0.036 20 0 CCADLP CCO[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000701668548 818987692 /nfs/dbraw/zinc/98/76/92/818987692.db2.gz AUPZURDHIQMWHA-STQMWFEESA-N 2 2 260.378 0.036 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[N@H+](CCCO)C1 ZINC001034491021 819216666 /nfs/dbraw/zinc/21/66/66/819216666.db2.gz OWHVKKOJNGOKNO-CYBMUJFWSA-N 2 2 294.399 0.316 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[N@@H+](CCCO)C1 ZINC001034491021 819216672 /nfs/dbraw/zinc/21/66/72/819216672.db2.gz OWHVKKOJNGOKNO-CYBMUJFWSA-N 2 2 294.399 0.316 20 0 CCADLP CCOC1CC(C[NH2+]CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001128967240 819236470 /nfs/dbraw/zinc/23/64/70/819236470.db2.gz HTSGQMVEJPNZMX-UHFFFAOYSA-N 2 2 294.399 0.863 20 0 CCADLP CCOC1CC(C[NH2+]CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001128967240 819236477 /nfs/dbraw/zinc/23/64/77/819236477.db2.gz HTSGQMVEJPNZMX-UHFFFAOYSA-N 2 2 294.399 0.863 20 0 CCADLP CC[C@H](F)C[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128967558 819236540 /nfs/dbraw/zinc/23/65/40/819236540.db2.gz WFQNVIBQFZBRDR-JTQLQIEISA-N 2 2 256.325 0.796 20 0 CCADLP CC[C@H](F)C[NH2+]CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001128967558 819236547 /nfs/dbraw/zinc/23/65/47/819236547.db2.gz WFQNVIBQFZBRDR-JTQLQIEISA-N 2 2 256.325 0.796 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+]C/C=C/Cl ZINC001128972929 819247626 /nfs/dbraw/zinc/24/76/26/819247626.db2.gz NTTOJWLNQWEHMU-DAFODLJHSA-N 2 2 256.737 0.801 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC[NH2+]C/C=C/Cl ZINC001128972929 819247633 /nfs/dbraw/zinc/24/76/33/819247633.db2.gz NTTOJWLNQWEHMU-DAFODLJHSA-N 2 2 256.737 0.801 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+]CCOCC1CC1 ZINC001128972942 819248142 /nfs/dbraw/zinc/24/81/42/819248142.db2.gz OIOAFXBYYQXNJV-UHFFFAOYSA-N 2 2 280.372 0.475 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC[NH2+]CCOCC1CC1 ZINC001128972942 819248148 /nfs/dbraw/zinc/24/81/48/819248148.db2.gz OIOAFXBYYQXNJV-UHFFFAOYSA-N 2 2 280.372 0.475 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@H]([NH2+]CCF)CC1 ZINC001034801581 819332985 /nfs/dbraw/zinc/33/29/85/819332985.db2.gz MCTUGCGEQWVOIV-HAQNSBGRSA-N 2 2 268.336 0.870 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](CCN2CCOC2=O)CC[C@@H]1C(F)(F)F ZINC000706027879 819596953 /nfs/dbraw/zinc/59/69/53/819596953.db2.gz MITJZNKRIGMHNQ-UWVGGRQHSA-N 2 2 295.305 0.898 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CCN2CCOC2=O)CC[C@@H]1C(F)(F)F ZINC000706027879 819596959 /nfs/dbraw/zinc/59/69/59/819596959.db2.gz MITJZNKRIGMHNQ-UWVGGRQHSA-N 2 2 295.305 0.898 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CCC2(C[NH+](CCO)C2)CC1 ZINC001035695695 819610026 /nfs/dbraw/zinc/61/00/26/819610026.db2.gz WVRKVHVFMDGOBB-UHFFFAOYSA-N 2 2 292.383 0.259 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001036268168 819716897 /nfs/dbraw/zinc/71/68/97/819716897.db2.gz RFPVEVDPUHVSBA-AAEUAGOBSA-N 2 2 264.373 0.809 20 0 CCADLP CC(C)N1CC[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1=O ZINC000708711230 819777508 /nfs/dbraw/zinc/77/75/08/819777508.db2.gz GILLKHJDZCCWQG-XNBXPENISA-N 2 2 263.385 0.582 20 0 CCADLP COC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001080783129 820632084 /nfs/dbraw/zinc/63/20/84/820632084.db2.gz LVIISCVUJWIUHX-MBNYWOFBSA-N 2 2 294.399 0.434 20 0 CCADLP COC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001080783129 820632090 /nfs/dbraw/zinc/63/20/90/820632090.db2.gz LVIISCVUJWIUHX-MBNYWOFBSA-N 2 2 294.399 0.434 20 0 CCADLP Cc1cc(C[NH2+]CC[C@H](C)NC(=O)Cn2cc[nH+]c2)on1 ZINC001273212649 821161067 /nfs/dbraw/zinc/16/10/67/821161067.db2.gz PMTUDAOCVKOBTI-NSHDSACASA-N 2 2 291.355 0.864 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CCCC[C@H]1C[NH3+] ZINC001119414218 821299731 /nfs/dbraw/zinc/29/97/31/821299731.db2.gz FILFTXNEZQNMQL-JTQLQIEISA-N 2 2 251.334 0.443 20 0 CCADLP CC[C@@H](C(=O)NCCC[NH2+][C@@H](C)c1noc(C)n1)[NH+](C)C ZINC001166858321 821338928 /nfs/dbraw/zinc/33/89/28/821338928.db2.gz PJZNHIZJSMJTBQ-JQWIXIFHSA-N 2 2 297.403 0.875 20 0 CCADLP O=S(=O)([C@H]1CCC[NH2+]C1)N1CC[NH+](C2CCC2)CC1 ZINC000378767315 821595584 /nfs/dbraw/zinc/59/55/84/821595584.db2.gz VVDRRQPNFJLXIT-ZDUSSCGKSA-N 2 2 287.429 0.238 20 0 CCADLP CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001086406033 822240235 /nfs/dbraw/zinc/24/02/35/822240235.db2.gz ADMQKVZQCLEEKE-AVGNSLFASA-N 2 2 276.384 0.950 20 0 CCADLP CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH]cc[nH+]1 ZINC001114215407 837474358 /nfs/dbraw/zinc/47/43/58/837474358.db2.gz WRJVHBCIPJNVIQ-YABSGUDNSA-N 2 2 262.357 0.799 20 0 CCADLP CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH]cc[nH+]1 ZINC001114215407 837474362 /nfs/dbraw/zinc/47/43/62/837474362.db2.gz WRJVHBCIPJNVIQ-YABSGUDNSA-N 2 2 262.357 0.799 20 0 CCADLP O=C(NCC[NH2+]C[C@@H]1CCCOC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129891230 837576672 /nfs/dbraw/zinc/57/66/72/837576672.db2.gz FRGFGYNBCIVNMZ-YNEHKIRRSA-N 2 2 292.383 0.646 20 0 CCADLP O=C(NCC[NH2+]C[C@@H]1CCCOC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129891230 837576683 /nfs/dbraw/zinc/57/66/83/837576683.db2.gz FRGFGYNBCIVNMZ-YNEHKIRRSA-N 2 2 292.383 0.646 20 0 CCADLP CC(C)OCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129900836 837581817 /nfs/dbraw/zinc/58/18/17/837581817.db2.gz KWMYQVAOAXOJSR-VXGBXAGGSA-N 2 2 280.372 0.644 20 0 CCADLP CC(C)OCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129900836 837581822 /nfs/dbraw/zinc/58/18/22/837581822.db2.gz KWMYQVAOAXOJSR-VXGBXAGGSA-N 2 2 280.372 0.644 20 0 CCADLP CO[C@@H](C)C[NH2+]CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001130165228 837710735 /nfs/dbraw/zinc/71/07/35/837710735.db2.gz ULVDIFLRXQKQLA-LBPRGKRZSA-N 2 2 282.388 0.667 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCC[NH2+]CCC[C@@H](C)O)c[nH+]1 ZINC001130164569 837711206 /nfs/dbraw/zinc/71/12/06/837711206.db2.gz BBUQQIBUIRCMMG-CYBMUJFWSA-N 2 2 296.415 0.793 20 0 CCADLP CC[C@H](C(=O)NCC[NH2+]Cc1nc(C2CC2)no1)[NH+](C)C ZINC001130197686 837721565 /nfs/dbraw/zinc/72/15/65/837721565.db2.gz MESKGZBCXKJVJY-LLVKDONJSA-N 2 2 295.387 0.493 20 0 CCADLP CCc1noc(C[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)CC)n1 ZINC001130427957 837791748 /nfs/dbraw/zinc/79/17/48/837791748.db2.gz WMAXAOFBXGVKJW-UHFFFAOYSA-N 2 2 297.403 0.568 20 0 CCADLP CCc1noc(C[NH2+]CCNC(=O)C(C)(C)[N@H+](C)CC)n1 ZINC001130427957 837791755 /nfs/dbraw/zinc/79/17/55/837791755.db2.gz WMAXAOFBXGVKJW-UHFFFAOYSA-N 2 2 297.403 0.568 20 0 CCADLP O=C(NCC[NH2+]CCC1CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001130478350 837800586 /nfs/dbraw/zinc/80/05/86/837800586.db2.gz YPRJNJPUPSADSA-ZDUSSCGKSA-N 2 2 276.384 0.951 20 0 CCADLP O=C(NCC[NH2+]C[C@@H]1CCOC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001130481301 837805102 /nfs/dbraw/zinc/80/51/02/837805102.db2.gz OXYFAQNQOTWIFU-STQMWFEESA-N 2 2 292.383 0.188 20 0 CCADLP O=C(NCC[NH2+]C[C@H]1CCOC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001130481299 837805602 /nfs/dbraw/zinc/80/56/02/837805602.db2.gz OXYFAQNQOTWIFU-OLZOCXBDSA-N 2 2 292.383 0.188 20 0 CCADLP CC[C@H](F)C[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130484503 837809157 /nfs/dbraw/zinc/80/91/57/837809157.db2.gz OZNRQUKTCYIAHT-RYUDHWBXSA-N 2 2 282.363 0.899 20 0 CCADLP N=c1cc(C[NH3+])ncn1C(=O)CCc1ccc(N)[nH+]c1 ZINC001183935078 844114445 /nfs/dbraw/zinc/11/44/45/844114445.db2.gz GQPFYCBNCUVAFT-UHFFFAOYSA-N 2 2 272.312 0.071 20 0 CCADLP CC[N@@H+]1CCO[C@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001108439734 836110831 /nfs/dbraw/zinc/11/08/31/836110831.db2.gz SFZVFNQYDRGSHN-CYBMUJFWSA-N 2 2 266.345 0.110 20 0 CCADLP CC[N@H+]1CCO[C@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001108439734 836110836 /nfs/dbraw/zinc/11/08/36/836110836.db2.gz SFZVFNQYDRGSHN-CYBMUJFWSA-N 2 2 266.345 0.110 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc(-n2cccc2)nn1 ZINC001169067827 836123628 /nfs/dbraw/zinc/12/36/28/836123628.db2.gz ZFICRHVPPJKLGP-LLVKDONJSA-N 2 2 284.323 0.315 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncc2sccc2n1 ZINC001169067806 836124399 /nfs/dbraw/zinc/12/43/99/836124399.db2.gz YTMXBTUEWOUVKG-MRVPVSSYSA-N 2 2 275.337 0.739 20 0 CCADLP CC(=O)Nc1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1 ZINC001169071784 836125806 /nfs/dbraw/zinc/12/58/06/836125806.db2.gz LAHAXQYNLFXJHO-SNVBAGLBSA-N 2 2 275.312 0.088 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cccn2ccnc12 ZINC001169072635 836126056 /nfs/dbraw/zinc/12/60/56/836126056.db2.gz QOUKYJMRGIMPMD-SNVBAGLBSA-N 2 2 257.297 0.382 20 0 CCADLP Nc1cnc2c(cccc2-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1 ZINC001169075068 836128616 /nfs/dbraw/zinc/12/86/16/836128616.db2.gz PKNOLLVCYYHLAN-GFCCVEGCSA-N 2 2 283.335 0.865 20 0 CCADLP Cc1nc2ccc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)nc2[nH]1 ZINC001169075291 836129022 /nfs/dbraw/zinc/12/90/22/836129022.db2.gz XNCBHCMPZGEEFA-SECBINFHSA-N 2 2 272.312 0.314 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(C3COC3)CC1)C2 ZINC001169124242 836141183 /nfs/dbraw/zinc/14/11/83/836141183.db2.gz AZPNHDQNIKZTGX-WDNDVIMCSA-N 2 2 265.401 0.628 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN(C3COC3)CC1)C2 ZINC001169124242 836141188 /nfs/dbraw/zinc/14/11/88/836141188.db2.gz AZPNHDQNIKZTGX-WDNDVIMCSA-N 2 2 265.401 0.628 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Nc2ccc3c(n2)C[NH2+]CC3)C[NH2+]1 ZINC001169128979 836143583 /nfs/dbraw/zinc/14/35/83/836143583.db2.gz AZKLIQFPBCXHDJ-MNOVXSKESA-N 2 2 276.340 0.043 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Nc2ccc([C@H]3CCC[NH2+]3)cn2)C[NH2+]1 ZINC001169130036 836145288 /nfs/dbraw/zinc/14/52/88/836145288.db2.gz RBSACCUVGVJDJG-UPJWGTAASA-N 2 2 290.367 0.822 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Nc2[nH+]ccc(N)c2C)C[NH2+]1 ZINC001169129409 836145537 /nfs/dbraw/zinc/14/55/37/836145537.db2.gz NVVLKCQDLQMEFW-SCZZXKLOSA-N 2 2 250.302 0.288 20 0 CCADLP C[N@H+](CCN1CC[NH+](C)CC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169144104 836154191 /nfs/dbraw/zinc/15/41/91/836154191.db2.gz IRCUQRSFRXJQDK-ZSHCYNCHSA-N 3 2 280.460 0.791 20 0 CCADLP C[N@@H+](CCN1CC[NH+](C)CC1)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169144104 836154195 /nfs/dbraw/zinc/15/41/95/836154195.db2.gz IRCUQRSFRXJQDK-ZSHCYNCHSA-N 3 2 280.460 0.791 20 0 CCADLP C[NH+](CCN1CC[NH+](C)CC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169144104 836154200 /nfs/dbraw/zinc/15/42/00/836154200.db2.gz IRCUQRSFRXJQDK-ZSHCYNCHSA-N 3 2 280.460 0.791 20 0 CCADLP C[NH+](CCN1CC[NH+](C)CC1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169144104 836154205 /nfs/dbraw/zinc/15/42/05/836154205.db2.gz IRCUQRSFRXJQDK-ZSHCYNCHSA-N 3 2 280.460 0.791 20 0 CCADLP COC[C@@H]1C[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CCO1 ZINC001169155263 836156402 /nfs/dbraw/zinc/15/64/02/836156402.db2.gz LVGINDJLGQMJCF-DGAVXFQQSA-N 2 2 254.374 0.959 20 0 CCADLP COC[C@@H]1C[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CCO1 ZINC001169155263 836156407 /nfs/dbraw/zinc/15/64/07/836156407.db2.gz LVGINDJLGQMJCF-DGAVXFQQSA-N 2 2 254.374 0.959 20 0 CCADLP COC[C@@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCO1 ZINC001169155263 836156409 /nfs/dbraw/zinc/15/64/09/836156409.db2.gz LVGINDJLGQMJCF-DGAVXFQQSA-N 2 2 254.374 0.959 20 0 CCADLP COC[C@@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC001169155263 836156415 /nfs/dbraw/zinc/15/64/15/836156415.db2.gz LVGINDJLGQMJCF-DGAVXFQQSA-N 2 2 254.374 0.959 20 0 CCADLP CC[NH+]1CCC(N2CC[NH+](CCC[NH3+])CC2)CC1 ZINC001169229848 836165654 /nfs/dbraw/zinc/16/56/54/836165654.db2.gz GZFDVIGFRRIZHR-UHFFFAOYSA-N 3 2 254.422 0.437 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)[C@H](O)C1 ZINC001090427213 836691905 /nfs/dbraw/zinc/69/19/05/836691905.db2.gz INFZHALGDBQWRA-WCQYABFASA-N 2 2 288.351 0.519 20 0 CCADLP CC[NH+](CC)C[C@H](F)C(=O)N1CC[NH+](CCCO)CC1 ZINC001112906481 836959200 /nfs/dbraw/zinc/95/92/00/836959200.db2.gz FEDOVVHLCQQHQE-ZDUSSCGKSA-N 2 2 289.395 0.193 20 0 CCADLP C[C@@H](O)CCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001113019276 837000160 /nfs/dbraw/zinc/00/01/60/837000160.db2.gz LVODNBJLOUXNKZ-HUUCEWRRSA-N 2 2 297.443 0.776 20 0 CCADLP C[C@@H](O)CCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001113019276 837000167 /nfs/dbraw/zinc/00/01/67/837000167.db2.gz LVODNBJLOUXNKZ-HUUCEWRRSA-N 2 2 297.443 0.776 20 0 CCADLP CCN(c1cccc(N2CC[NH+](C)CC2)n1)C1C[NH+](C)C1 ZINC001157456632 837017686 /nfs/dbraw/zinc/01/76/86/837017686.db2.gz SUKYFGOWABXBOW-UHFFFAOYSA-N 2 2 289.427 0.974 20 0 CCADLP COCCC[NH+]1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001113724269 837206881 /nfs/dbraw/zinc/20/68/81/837206881.db2.gz SZBPLVJDVNCJOI-UHFFFAOYSA-N 2 2 266.345 0.064 20 0 CCADLP C[C@@H]1[C@H]([NH3+])CCCN1c1cc(N2CCOCC2)[nH+]cn1 ZINC001157731930 837342317 /nfs/dbraw/zinc/34/23/17/837342317.db2.gz HAPVOOLUVWLPKX-VXGBXAGGSA-N 2 2 277.372 0.629 20 0 CCADLP [NH3+]CCOCCOCCNc1ccc2c([nH+]1)CCOC2 ZINC001170509182 837879469 /nfs/dbraw/zinc/87/94/69/837879469.db2.gz ZXFYUBDGRZGQHF-UHFFFAOYSA-N 2 2 281.356 0.558 20 0 CCADLP CCOCC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001184721064 844276918 /nfs/dbraw/zinc/27/69/18/844276918.db2.gz UKBZQWASSRDOIX-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP COc1cnc(Cl)nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158203723 837980821 /nfs/dbraw/zinc/98/08/21/837980821.db2.gz OYQSNAWNXLBLHF-SSDOTTSWSA-N 2 2 283.719 0.186 20 0 CCADLP Cc1cc(C[NH2+]CCNC(=O)Cn2c[nH+]cc2C)no1 ZINC001131377084 838074061 /nfs/dbraw/zinc/07/40/61/838074061.db2.gz GFIVRTYHBYKBDS-UHFFFAOYSA-N 2 2 277.328 0.394 20 0 CCADLP Cc1csc(C[NH2+]CCNC(=O)Cn2c[nH+]cc2C)n1 ZINC001131377115 838074633 /nfs/dbraw/zinc/07/46/33/838074633.db2.gz HNBJORRCWQZPOZ-UHFFFAOYSA-N 2 2 293.396 0.862 20 0 CCADLP CCN(C)c1cc(N[C@@H](C)[C@H]2C[NH2+]CCO2)[nH+]cn1 ZINC001170566079 838120959 /nfs/dbraw/zinc/12/09/59/838120959.db2.gz XCXMBGXDYWPIIU-WDEREUQCSA-N 2 2 265.361 0.722 20 0 CCADLP CCN(C)c1cc(N[C@@H](C)[C@H]2C[NH2+]CCO2)nc[nH+]1 ZINC001170566079 838120965 /nfs/dbraw/zinc/12/09/65/838120965.db2.gz XCXMBGXDYWPIIU-WDEREUQCSA-N 2 2 265.361 0.722 20 0 CCADLP CCCC[NH2+]CCNC(=O)[C@H]1COCC[N@@H+]1CCCC ZINC001131822344 838231992 /nfs/dbraw/zinc/23/19/92/838231992.db2.gz NPZSVPRNEJBKPR-CQSZACIVSA-N 2 2 285.432 0.993 20 0 CCADLP CCCC[NH2+]CCNC(=O)[C@H]1COCC[N@H+]1CCCC ZINC001131822344 838232004 /nfs/dbraw/zinc/23/20/04/838232004.db2.gz NPZSVPRNEJBKPR-CQSZACIVSA-N 2 2 285.432 0.993 20 0 CCADLP C[NH+](C)CCCC(=O)NCC[NH2+]Cc1nncs1 ZINC001133048071 838544355 /nfs/dbraw/zinc/54/43/55/838544355.db2.gz GYFVVXIMJXCKDD-UHFFFAOYSA-N 2 2 271.390 0.086 20 0 CCADLP C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCCO ZINC001133135859 838559774 /nfs/dbraw/zinc/55/97/74/838559774.db2.gz YMSHNIBMHOGCSF-QWHCGFSZSA-N 2 2 294.399 0.409 20 0 CCADLP COCC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001133196195 838573891 /nfs/dbraw/zinc/57/38/91/838573891.db2.gz UBDBUTMKXQUUTR-STQMWFEESA-N 2 2 294.399 0.673 20 0 CCADLP Cc1cnc([C@@H](C)[NH2+]CCNC(=O)CC[NH+](C)C)o1 ZINC001133297191 838594470 /nfs/dbraw/zinc/59/44/70/838594470.db2.gz JGQBHXJKYQNSGT-LLVKDONJSA-N 2 2 268.361 0.702 20 0 CCADLP CC(C)[C@H](C(=O)NCC[NH2+][C@H](C)c1csnn1)[NH+](C)C ZINC001133419676 838623554 /nfs/dbraw/zinc/62/35/54/838623554.db2.gz TUQLPLUNHRQGCF-ZYHUDNBSSA-N 2 2 299.444 0.891 20 0 CCADLP CCOCC[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001133668385 838692268 /nfs/dbraw/zinc/69/22/68/838692268.db2.gz WDWNAMZIIRHDHV-NSHDSACASA-N 2 2 280.372 0.572 20 0 CCADLP C[C@@H](CC(=O)NCC[NH2+]CC[C@@H]1CCOC1)n1cc[nH+]c1 ZINC001134499219 838994223 /nfs/dbraw/zinc/99/42/23/838994223.db2.gz YRIIWDJPFOWWJE-UONOGXRCSA-N 2 2 294.399 0.967 20 0 CCADLP C[C@@H](CC(=O)NCC[NH2+]Cc1ccnn1C)n1cc[nH+]c1 ZINC001134498774 838994241 /nfs/dbraw/zinc/99/42/41/838994241.db2.gz OQUJDUOBWJHVOR-LBPRGKRZSA-N 2 2 290.371 0.474 20 0 CCADLP CCOCCC[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001134517605 839000419 /nfs/dbraw/zinc/00/04/19/839000419.db2.gz MBCIUOWEPPSJDT-ZDUSSCGKSA-N 2 2 282.388 0.967 20 0 CCADLP OC[C@H]1C[NH2+]C[C@@H]1Nc1cc(N2CCCC2)[nH+]cn1 ZINC001170773913 839084274 /nfs/dbraw/zinc/08/42/74/839084274.db2.gz KICQEQFYSOXYCL-MNOVXSKESA-N 2 2 263.345 0.069 20 0 CCADLP COc1c(C)[nH+]c(C2CC2)nc1N[C@H]1C[NH2+]C[C@@H]1CO ZINC001170780773 839117971 /nfs/dbraw/zinc/11/79/71/839117971.db2.gz VHSYGSDCRNCRLI-MNOVXSKESA-N 2 2 278.356 0.663 20 0 CCADLP C[C@@H](O)CCC[NH2+]CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001135080287 839156488 /nfs/dbraw/zinc/15/64/88/839156488.db2.gz PISVYSBVFPQKDZ-VXGBXAGGSA-N 2 2 282.388 0.455 20 0 CCADLP C[C@@H](O)CCC[NH2+]CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001135080287 839156492 /nfs/dbraw/zinc/15/64/92/839156492.db2.gz PISVYSBVFPQKDZ-VXGBXAGGSA-N 2 2 282.388 0.455 20 0 CCADLP C[C@H](C[C@H](C)[NH2+]CCO)NC(=O)CCn1cc[nH+]c1 ZINC001135136515 839168358 /nfs/dbraw/zinc/16/83/58/839168358.db2.gz JCJKAOATCOPKAH-NWDGAFQWSA-N 2 2 268.361 0.138 20 0 CCADLP Cc1noc([C@H](C)[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001185401226 844409341 /nfs/dbraw/zinc/40/93/41/844409341.db2.gz NFXFWUVYBSZFMC-CMPLNLGQSA-N 2 2 295.387 0.581 20 0 CCADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C[NH2+]CCO ZINC001185372489 844411519 /nfs/dbraw/zinc/41/15/19/844411519.db2.gz YCGZXMPNOPOQPR-RYUDHWBXSA-N 2 2 280.372 0.019 20 0 CCADLP CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135555860 839293055 /nfs/dbraw/zinc/29/30/55/839293055.db2.gz BWRRCKYQVUDNAZ-VXGBXAGGSA-N 2 2 282.388 0.862 20 0 CCADLP CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135555859 839294844 /nfs/dbraw/zinc/29/48/44/839294844.db2.gz BWRRCKYQVUDNAZ-RYUDHWBXSA-N 2 2 282.388 0.862 20 0 CCADLP C[C@@H](Nc1cc(N(C)C)nc[nH+]1)[C@H]1C[NH2+]CCO1 ZINC001159489494 839304016 /nfs/dbraw/zinc/30/40/16/839304016.db2.gz PHXXYWZCOLOGRJ-NXEZZACHSA-N 2 2 251.334 0.331 20 0 CCADLP C[C@@H](Nc1cc(N(C)C)[nH+]cn1)[C@H]1C[NH2+]CCO1 ZINC001159489494 839304025 /nfs/dbraw/zinc/30/40/25/839304025.db2.gz PHXXYWZCOLOGRJ-NXEZZACHSA-N 2 2 251.334 0.331 20 0 CCADLP Cc1cc(C[NH2+]CCNC(=O)C[NH+]2CCC(C)CC2)no1 ZINC001135706860 839369592 /nfs/dbraw/zinc/36/95/92/839369592.db2.gz JOWDDDPLPYNQHJ-UHFFFAOYSA-N 2 2 294.399 0.921 20 0 CCADLP CC1(C)CO[C@@H](C[NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001135757426 839392400 /nfs/dbraw/zinc/39/24/00/839392400.db2.gz CHVGHZDDJGBIFQ-LLVKDONJSA-N 2 2 280.372 0.473 20 0 CCADLP CCOC(=O)c1c[nH+]c(N[C@@]([NH3+])(CC)CO)cc1N(C)C ZINC001170857875 839438795 /nfs/dbraw/zinc/43/87/95/839438795.db2.gz IAJIBRZWFYJEBN-AWEZNQCLSA-N 2 2 296.371 0.794 20 0 CCADLP CC[C@]([NH3+])(CO)Nc1cc(N2CCCC2)[nH+]cn1 ZINC001170858010 839443804 /nfs/dbraw/zinc/44/38/04/839443804.db2.gz IPWRTLDLVTWCIQ-GFCCVEGCSA-N 2 2 251.334 0.546 20 0 CCADLP CC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001135948933 839475866 /nfs/dbraw/zinc/47/58/66/839475866.db2.gz FYPIGYREPLYGSO-QWRGUYRKSA-N 2 2 252.362 0.855 20 0 CCADLP COCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001136056398 839509990 /nfs/dbraw/zinc/50/99/90/839509990.db2.gz SUJTWRFPASNEGF-STQMWFEESA-N 2 2 296.415 0.872 20 0 CCADLP Cc1[nH+]ccn1-c1cc(N[C@@H]([NH3+])CCC[NH3+])ncn1 ZINC001170897176 839543584 /nfs/dbraw/zinc/54/35/84/839543584.db2.gz FJAXUNUUXWHSGY-SNVBAGLBSA-N 3 2 261.333 0.406 20 0 CCADLP O=C(N1CCC([NH2+][C@@H]2CC[NH2+]C[C@@H]2F)CC1)C(F)(F)F ZINC001246087423 839601990 /nfs/dbraw/zinc/60/19/90/839601990.db2.gz NZXSLXVRWAYGFT-VHSXEESVSA-N 2 2 297.296 0.829 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C[C@@H]2F)C[NH2+]1 ZINC001246104881 839618696 /nfs/dbraw/zinc/61/86/96/839618696.db2.gz CBGFDDAWYYKOSD-RHYQMDGZSA-N 2 2 287.379 0.348 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]2)CCN1 ZINC001246188344 839668708 /nfs/dbraw/zinc/66/87/08/839668708.db2.gz WGVGBKAAJQXBKC-UTUOFQBUSA-N 2 2 255.362 0.012 20 0 CCADLP CCCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001090678439 839731163 /nfs/dbraw/zinc/73/11/63/839731163.db2.gz HALWWXZRGZZOAW-NWDGAFQWSA-N 2 2 280.372 0.304 20 0 CCADLP CCCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001090678439 839731169 /nfs/dbraw/zinc/73/11/69/839731169.db2.gz HALWWXZRGZZOAW-NWDGAFQWSA-N 2 2 280.372 0.304 20 0 CCADLP CCOCCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001185926628 844475460 /nfs/dbraw/zinc/47/54/60/844475460.db2.gz YLSNTSWKHQKUPL-GFCCVEGCSA-N 2 2 280.372 0.569 20 0 CCADLP O=C(NCC1CC([NH2+]CCF)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001091105993 840050702 /nfs/dbraw/zinc/05/07/02/840050702.db2.gz CQTNZSKGEKGSCL-OTTFEQOBSA-N 2 2 294.374 0.899 20 0 CCADLP CN(CC[NH+]1CCCC1)C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001160689053 840124020 /nfs/dbraw/zinc/12/40/20/840124020.db2.gz TZWHTJLMODCPEW-HNNXBMFYSA-N 3 2 290.411 0.813 20 0 CCADLP CCOC(=O)[C@H]1CC[C@H]([NH+]2CC(C)(C[NH3+])C2)CO1 ZINC001246599654 840161807 /nfs/dbraw/zinc/16/18/07/840161807.db2.gz PSOYZYYRPCRLDK-WDEREUQCSA-N 2 2 256.346 0.378 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CCC(F)(F)F ZINC001149123129 840323042 /nfs/dbraw/zinc/32/30/42/840323042.db2.gz FJOHJBZZJGIAOQ-UHFFFAOYSA-N 2 2 278.278 0.919 20 0 CCADLP CC[N@H+](C)CCC(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001146718706 840349844 /nfs/dbraw/zinc/34/98/44/840349844.db2.gz FZBVCDWIDPHJTA-UHFFFAOYSA-N 2 2 268.361 0.531 20 0 CCADLP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001146718706 840349860 /nfs/dbraw/zinc/34/98/60/840349860.db2.gz FZBVCDWIDPHJTA-UHFFFAOYSA-N 2 2 268.361 0.531 20 0 CCADLP C[C@H]1C[C@@H]([NH+]2CCN(c3cncnc3)CC2)CC[NH2+]1 ZINC001246866934 840355086 /nfs/dbraw/zinc/35/50/86/840355086.db2.gz GLYXXECKZSHZAC-STQMWFEESA-N 2 2 261.373 0.739 20 0 CCADLP CC[N@H+](C)CCC(=O)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001146719699 840355369 /nfs/dbraw/zinc/35/53/69/840355369.db2.gz VFLCBFCZWVGOCC-UHFFFAOYSA-N 2 2 295.387 0.495 20 0 CCADLP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001146719699 840355376 /nfs/dbraw/zinc/35/53/76/840355376.db2.gz VFLCBFCZWVGOCC-UHFFFAOYSA-N 2 2 295.387 0.495 20 0 CCADLP Cc1ncc(C[NH2+]CCNC(=O)Cc2c[nH+]cn2C)s1 ZINC001147871761 840708166 /nfs/dbraw/zinc/70/81/66/840708166.db2.gz LCNSPYBOLDCGNX-UHFFFAOYSA-N 2 2 293.396 0.634 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)Cc2c[nH+]cn2C)s1 ZINC001147871532 840708200 /nfs/dbraw/zinc/70/82/00/840708200.db2.gz ARCBLSULTMWXOY-UHFFFAOYSA-N 2 2 293.396 0.634 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CC[C@@H]1CCCCO1 ZINC001147871779 840709053 /nfs/dbraw/zinc/70/90/53/840709053.db2.gz LOWUFEQIJPOUCO-AWEZNQCLSA-N 2 2 294.399 0.628 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1)c1csnn1 ZINC001147884167 840713636 /nfs/dbraw/zinc/71/36/36/840713636.db2.gz AMIGCWOAUYLVMR-WDEREUQCSA-N 2 2 297.428 0.647 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1)c1csnn1 ZINC001147884167 840713650 /nfs/dbraw/zinc/71/36/50/840713650.db2.gz AMIGCWOAUYLVMR-WDEREUQCSA-N 2 2 297.428 0.647 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH2+][C@H](C)c1ncccn1 ZINC001148642035 840858374 /nfs/dbraw/zinc/85/83/74/840858374.db2.gz CIJCFXHFDZXSNG-GFCCVEGCSA-N 2 2 279.388 0.585 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@H](C)c1ncccn1 ZINC001148642035 840858386 /nfs/dbraw/zinc/85/83/86/840858386.db2.gz CIJCFXHFDZXSNG-GFCCVEGCSA-N 2 2 279.388 0.585 20 0 CCADLP CCN(C(=O)[C@H]1CO[C@@]2(C1)CCC[NH2+]CC2)C1C[NH+](C)C1 ZINC001161138295 840880448 /nfs/dbraw/zinc/88/04/48/840880448.db2.gz RFGPCSGTDKRUCA-CJNGLKHVSA-N 2 2 295.427 0.698 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1OCC ZINC001087070671 840956773 /nfs/dbraw/zinc/95/67/73/840956773.db2.gz CIGHPRHUIYBYNR-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP CC(C)C[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149571220 840964996 /nfs/dbraw/zinc/96/49/96/840964996.db2.gz VAPNEMHMTQASNS-UHFFFAOYSA-N 2 2 252.362 0.715 20 0 CCADLP CC1(C)NC(=O)N(CC[N@@H+]2CC[NH2+]CCC2(C)C)C1=O ZINC000712505452 841096028 /nfs/dbraw/zinc/09/60/28/841096028.db2.gz GLQZJBPMIXNUAL-UHFFFAOYSA-N 2 2 282.388 0.391 20 0 CCADLP CC1(C)NC(=O)N(CC[N@H+]2CC[NH2+]CCC2(C)C)C1=O ZINC000712505452 841096041 /nfs/dbraw/zinc/09/60/41/841096041.db2.gz GLQZJBPMIXNUAL-UHFFFAOYSA-N 2 2 282.388 0.391 20 0 CCADLP CC(C)(CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[NH+]1CCOCC1 ZINC000713212881 841124108 /nfs/dbraw/zinc/12/41/08/841124108.db2.gz GIPPZOZBJGRCTK-XUJVJEKNSA-N 2 2 281.400 0.341 20 0 CCADLP C[N@@H+]1CCCC[C@H](C[NH2+]C2CC(S(C)(=O)=O)C2)C1 ZINC000716115182 841436416 /nfs/dbraw/zinc/43/64/16/841436416.db2.gz QTFJKOXOIZIRMZ-PNESKVBLSA-N 2 2 274.430 0.884 20 0 CCADLP C[N@H+]1CCCC[C@H](C[NH2+]C2CC(S(C)(=O)=O)C2)C1 ZINC000716115182 841436422 /nfs/dbraw/zinc/43/64/22/841436422.db2.gz QTFJKOXOIZIRMZ-PNESKVBLSA-N 2 2 274.430 0.884 20 0 CCADLP Cc1nc(NCCNC(=O)[C@H]2C[NH+]3CCC2CC3)cc[nH+]1 ZINC001093896584 841490024 /nfs/dbraw/zinc/49/00/24/841490024.db2.gz WZIWCFVQVQUCLO-ZDUSSCGKSA-N 2 2 289.383 0.655 20 0 CCADLP Cc1nc(NCCCNC(=O)COCC[NH+](C)C)cc[nH+]1 ZINC001094503038 841657387 /nfs/dbraw/zinc/65/73/87/841657387.db2.gz MBBFYCRSENIKJZ-UHFFFAOYSA-N 2 2 295.387 0.281 20 0 CCADLP Cc1nc(NCCCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)cc[nH+]1 ZINC001094796331 841725187 /nfs/dbraw/zinc/72/51/87/841725187.db2.gz JTJIEUVLXJTOCX-DGCLKSJQSA-N 2 2 291.399 0.901 20 0 CCADLP Cc1nc(NCCCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)cc[nH+]1 ZINC001094796331 841725191 /nfs/dbraw/zinc/72/51/91/841725191.db2.gz JTJIEUVLXJTOCX-DGCLKSJQSA-N 2 2 291.399 0.901 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCN(C2CC2)C(=O)C1 ZINC001171997104 841780845 /nfs/dbraw/zinc/78/08/45/841780845.db2.gz AWDCSDGQRJFKKA-WCQYABFASA-N 2 2 251.374 0.824 20 0 CCADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCN(C2CC2)C(=O)C1 ZINC001171997104 841780850 /nfs/dbraw/zinc/78/08/50/841780850.db2.gz AWDCSDGQRJFKKA-WCQYABFASA-N 2 2 251.374 0.824 20 0 CCADLP CCOC(=O)[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172005262 841785326 /nfs/dbraw/zinc/78/53/26/841785326.db2.gz MLAUSDMVPNWKPM-YPMHNXCESA-N 2 2 297.399 0.400 20 0 CCADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCC[NH+](CCO)CCO)C2 ZINC001172103754 841846506 /nfs/dbraw/zinc/84/65/06/841846506.db2.gz XKQCIHYUVLINQE-MUJYYYPQSA-N 3 2 299.459 0.268 20 0 CCADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCC[NH+](CCO)CCO)C2 ZINC001172103754 841846512 /nfs/dbraw/zinc/84/65/12/841846512.db2.gz XKQCIHYUVLINQE-MUJYYYPQSA-N 3 2 299.459 0.268 20 0 CCADLP C[C@@H]1C(=O)NCC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123288 841854532 /nfs/dbraw/zinc/85/45/32/841854532.db2.gz ZGQCANJTFBBARE-NDBYEHHHSA-N 2 2 251.374 0.822 20 0 CCADLP C[C@@H]1C(=O)NCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123288 841854538 /nfs/dbraw/zinc/85/45/38/841854538.db2.gz ZGQCANJTFBBARE-NDBYEHHHSA-N 2 2 251.374 0.822 20 0 CCADLP C[C@@H]1C(=O)NCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172123288 841854548 /nfs/dbraw/zinc/85/45/48/841854548.db2.gz ZGQCANJTFBBARE-NDBYEHHHSA-N 2 2 251.374 0.822 20 0 CCADLP C[C@@H]1C(=O)NCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172123288 841854559 /nfs/dbraw/zinc/85/45/59/841854559.db2.gz ZGQCANJTFBBARE-NDBYEHHHSA-N 2 2 251.374 0.822 20 0 CCADLP Cc1[nH+]cn(-c2ccc(C[NH+]3CC(O)C3)cc2)c1N ZINC001212667321 841932184 /nfs/dbraw/zinc/93/21/84/841932184.db2.gz LZTASERRRVTMEE-UHFFFAOYSA-N 2 2 258.325 0.939 20 0 CCADLP CCOCC[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001204092631 841945038 /nfs/dbraw/zinc/94/50/38/841945038.db2.gz NPGMLUYROQILNN-UHFFFAOYSA-N 2 2 280.372 0.500 20 0 CCADLP COc1nccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)n1 ZINC001206175062 841978772 /nfs/dbraw/zinc/97/87/72/841978772.db2.gz RMKFLJCCRDLDTF-WDEREUQCSA-N 2 2 254.309 0.746 20 0 CCADLP COc1nccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)n1 ZINC001206175062 841978781 /nfs/dbraw/zinc/97/87/81/841978781.db2.gz RMKFLJCCRDLDTF-WDEREUQCSA-N 2 2 254.309 0.746 20 0 CCADLP C[NH+]1CCN(C2C[NH+]([C@H]3CCc4ncsc4C3)C2)CC1 ZINC001173143245 842005810 /nfs/dbraw/zinc/00/58/10/842005810.db2.gz DWWMEBVSDJAFMP-LBPRGKRZSA-N 2 2 292.452 0.932 20 0 CCADLP CCOC(=O)C[C@@H]1CC[C@@H]([NH2+][C@@H]2COC[C@H]2[NH3+])C1 ZINC001173627403 842121374 /nfs/dbraw/zinc/12/13/74/842121374.db2.gz LGDHZXITAAHEQX-DDHJBXDOSA-N 2 2 256.346 0.424 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCF ZINC001095242253 842122216 /nfs/dbraw/zinc/12/22/16/842122216.db2.gz JZFNKDIYVMKIME-VOAKCMCISA-N 2 2 269.364 0.772 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCF ZINC001095242253 842122222 /nfs/dbraw/zinc/12/22/22/842122222.db2.gz JZFNKDIYVMKIME-VOAKCMCISA-N 2 2 269.364 0.772 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCF ZINC001095242253 842122228 /nfs/dbraw/zinc/12/22/28/842122228.db2.gz JZFNKDIYVMKIME-VOAKCMCISA-N 2 2 269.364 0.772 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]Cc1cnn(C)c1 ZINC001174683915 842199112 /nfs/dbraw/zinc/19/91/12/842199112.db2.gz WMZZZBIGQGVARI-UHFFFAOYSA-N 2 2 290.371 0.290 20 0 CCADLP CCc1nc(C[NH2+]CCCNC(=O)[C@H]2CC[N@H+](C)C2)no1 ZINC001176072280 842307755 /nfs/dbraw/zinc/30/77/55/842307755.db2.gz NWEXPBWUUYUCBN-NSHDSACASA-N 2 2 295.387 0.180 20 0 CCADLP CCc1nc(C[NH2+]CCCNC(=O)[C@H]2CC[N@@H+](C)C2)no1 ZINC001176072280 842307768 /nfs/dbraw/zinc/30/77/68/842307768.db2.gz NWEXPBWUUYUCBN-NSHDSACASA-N 2 2 295.387 0.180 20 0 CCADLP C[C@H](O)C[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001176829400 842416213 /nfs/dbraw/zinc/41/62/13/842416213.db2.gz MLVQRXHXLPPKMV-STQMWFEESA-N 2 2 282.388 0.529 20 0 CCADLP CCC(=O)N1CCC([NH2+]CCn2cc[nH+]c2)CC1 ZINC001177081530 842487802 /nfs/dbraw/zinc/48/78/02/842487802.db2.gz LIPGYHNEFQSPFI-UHFFFAOYSA-N 2 2 250.346 0.874 20 0 CCADLP CC(C)=CC[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177404543 842579175 /nfs/dbraw/zinc/57/91/75/842579175.db2.gz DADQTCIHVLXYLB-UHFFFAOYSA-N 2 2 250.346 0.945 20 0 CCADLP C[C@@H](O)CCC[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177406375 842580522 /nfs/dbraw/zinc/58/05/22/842580522.db2.gz WEZYJJXQEMJPNP-GFCCVEGCSA-N 2 2 268.361 0.140 20 0 CCADLP N=c1cc(C[NH3+])ccn1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178119863 842763690 /nfs/dbraw/zinc/76/36/90/842763690.db2.gz YAOLXBKFILRWCD-NSHDSACASA-N 2 2 271.324 0.526 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001178701442 842905576 /nfs/dbraw/zinc/90/55/76/842905576.db2.gz MHNMCGTTZLULIC-CYBMUJFWSA-N 2 2 280.372 0.630 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001178701442 842905583 /nfs/dbraw/zinc/90/55/83/842905583.db2.gz MHNMCGTTZLULIC-CYBMUJFWSA-N 2 2 280.372 0.630 20 0 CCADLP C/C(=C\C(=O)N[C@H]1C[N@@H+](C)CC1(C)C)C[NH+]1CCOCC1 ZINC001178710147 842911171 /nfs/dbraw/zinc/91/11/71/842911171.db2.gz WKZYTDMJRVJSPT-SSUFTNFISA-N 2 2 295.427 0.721 20 0 CCADLP C/C(=C\C(=O)N[C@H]1C[N@H+](C)CC1(C)C)C[NH+]1CCOCC1 ZINC001178710147 842911183 /nfs/dbraw/zinc/91/11/83/842911183.db2.gz WKZYTDMJRVJSPT-SSUFTNFISA-N 2 2 295.427 0.721 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CCCO)CCN1C(=O)CCn1cc[nH+]c1 ZINC001179264721 842982516 /nfs/dbraw/zinc/98/25/16/842982516.db2.gz YAUKCLXMFWHEAS-STQMWFEESA-N 2 2 280.372 0.235 20 0 CCADLP CC[C@@H](C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C)OC ZINC001179783344 843048872 /nfs/dbraw/zinc/04/88/72/843048872.db2.gz JWDOGNSLJFKEOC-AVGNSLFASA-N 2 2 294.399 0.956 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CCCF)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001179783549 843049985 /nfs/dbraw/zinc/04/99/85/843049985.db2.gz URNDRFMEUHXIJC-QWRGUYRKSA-N 2 2 268.336 0.891 20 0 CCADLP COCC[NH2+]CCCCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001179901566 843077123 /nfs/dbraw/zinc/07/71/23/843077123.db2.gz ASORQQZSNBOALU-UHFFFAOYSA-N 2 2 282.388 0.865 20 0 CCADLP C[N@H+](CC(=O)NCC[NH+]1CC2(COC2)C1)C1CCCC1 ZINC001180629849 843232678 /nfs/dbraw/zinc/23/26/78/843232678.db2.gz BHENEMCDYRPZIG-UHFFFAOYSA-N 2 2 281.400 0.309 20 0 CCADLP C[N@@H+](CC(=O)NCC[NH+]1CC2(COC2)C1)C1CCCC1 ZINC001180629849 843232683 /nfs/dbraw/zinc/23/26/83/843232683.db2.gz BHENEMCDYRPZIG-UHFFFAOYSA-N 2 2 281.400 0.309 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](C(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC001181981766 843660378 /nfs/dbraw/zinc/66/03/78/843660378.db2.gz ASOIRTGMANOTPN-UONOGXRCSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](C(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC001181981766 843660386 /nfs/dbraw/zinc/66/03/86/843660386.db2.gz ASOIRTGMANOTPN-UONOGXRCSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)[NH+]1CC[C@@H](C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001181981766 843660393 /nfs/dbraw/zinc/66/03/93/843660393.db2.gz ASOIRTGMANOTPN-UONOGXRCSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)[NH+]1CC[C@@H](C(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC001181981766 843660401 /nfs/dbraw/zinc/66/04/01/843660401.db2.gz ASOIRTGMANOTPN-UONOGXRCSA-N 2 2 283.416 0.554 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001181996460 843669769 /nfs/dbraw/zinc/66/97/69/843669769.db2.gz JWXIOFWPIFABHF-AWEZNQCLSA-N 2 2 295.427 0.842 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001181996460 843669774 /nfs/dbraw/zinc/66/97/74/843669774.db2.gz JWXIOFWPIFABHF-AWEZNQCLSA-N 2 2 295.427 0.842 20 0 CCADLP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1C[NH+](C)C1 ZINC001182012761 843692302 /nfs/dbraw/zinc/69/23/02/843692302.db2.gz OFVJVQCHYIIADZ-CYBMUJFWSA-N 2 2 251.374 0.491 20 0 CCADLP CC(C)(C)c1nc[nH]c1C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206525507 843852706 /nfs/dbraw/zinc/85/27/06/843852706.db2.gz RUAOOZOQJXHLPB-ONGXEEELSA-N 2 2 252.362 0.459 20 0 CCADLP CC(C)(C)c1nc[nH]c1C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206525507 843852711 /nfs/dbraw/zinc/85/27/11/843852711.db2.gz RUAOOZOQJXHLPB-ONGXEEELSA-N 2 2 252.362 0.459 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001187291392 844687286 /nfs/dbraw/zinc/68/72/86/844687286.db2.gz QGXGUOMMNMBUNO-GFCCVEGCSA-N 2 2 295.387 0.410 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001187291392 844687289 /nfs/dbraw/zinc/68/72/89/844687289.db2.gz QGXGUOMMNMBUNO-GFCCVEGCSA-N 2 2 295.387 0.410 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)[nH]2)C1 ZINC001187323023 844692750 /nfs/dbraw/zinc/69/27/50/844692750.db2.gz URXJXMZLZFORDM-GFCCVEGCSA-N 2 2 294.403 0.145 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)[nH]2)C1 ZINC001187323023 844692755 /nfs/dbraw/zinc/69/27/55/844692755.db2.gz URXJXMZLZFORDM-GFCCVEGCSA-N 2 2 294.403 0.145 20 0 CCADLP C[C@@H](O)CCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001188369087 844874815 /nfs/dbraw/zinc/87/48/15/844874815.db2.gz PSTDYMLOUHYPLS-CHWSQXEVSA-N 2 2 280.372 0.235 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001188361447 844883650 /nfs/dbraw/zinc/88/36/50/844883650.db2.gz LOYNVNJUDPDHQH-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP COCC[N@H+](C)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189872790 845240562 /nfs/dbraw/zinc/24/05/62/845240562.db2.gz AVTLSSFTGCCCHL-LBPRGKRZSA-N 2 2 280.372 0.521 20 0 CCADLP COCC[N@@H+](C)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189872790 845240575 /nfs/dbraw/zinc/24/05/75/845240575.db2.gz AVTLSSFTGCCCHL-LBPRGKRZSA-N 2 2 280.372 0.521 20 0 CCADLP Cc1cc(C[N@@H+](C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)no1 ZINC001192143816 845797955 /nfs/dbraw/zinc/79/79/55/845797955.db2.gz PUJHHFUZFIJLOO-CQSZACIVSA-N 2 2 294.399 0.967 20 0 CCADLP Cc1cc(C[N@H+](C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)no1 ZINC001192143816 845797956 /nfs/dbraw/zinc/79/79/56/845797956.db2.gz PUJHHFUZFIJLOO-CQSZACIVSA-N 2 2 294.399 0.967 20 0 CCADLP C[C@H](CC(=O)N1CC[C@@H]([N@H+](C)CCCO)C1)n1cc[nH+]c1 ZINC001192578012 845878520 /nfs/dbraw/zinc/87/85/20/845878520.db2.gz LDVQARQRLONSRH-ZIAGYGMSSA-N 2 2 294.399 0.749 20 0 CCADLP C[C@H](CC(=O)N1CC[C@@H]([N@@H+](C)CCCO)C1)n1cc[nH+]c1 ZINC001192578012 845878524 /nfs/dbraw/zinc/87/85/24/845878524.db2.gz LDVQARQRLONSRH-ZIAGYGMSSA-N 2 2 294.399 0.749 20 0 CCADLP CCOC(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC001194884156 846410677 /nfs/dbraw/zinc/41/06/77/846410677.db2.gz YWCYZSHILRWZTI-UHFFFAOYSA-N 2 2 259.394 0.365 20 0 CCADLP CCOC(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC001194884156 846410680 /nfs/dbraw/zinc/41/06/80/846410680.db2.gz YWCYZSHILRWZTI-UHFFFAOYSA-N 2 2 259.394 0.365 20 0 CCADLP COc1ccc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)c(OC)n1 ZINC001205683039 846442048 /nfs/dbraw/zinc/44/20/48/846442048.db2.gz WQHZXGXCIWPPOP-OAHLLOKOSA-N 2 2 295.383 0.775 20 0 CCADLP COc1ccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c(OC)n1 ZINC001205683039 846442051 /nfs/dbraw/zinc/44/20/51/846442051.db2.gz WQHZXGXCIWPPOP-OAHLLOKOSA-N 2 2 295.383 0.775 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC001195065053 846449424 /nfs/dbraw/zinc/44/94/24/846449424.db2.gz OELABBVSBPXAKI-WCQYABFASA-N 2 2 253.346 0.663 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC001195065053 846449428 /nfs/dbraw/zinc/44/94/28/846449428.db2.gz OELABBVSBPXAKI-WCQYABFASA-N 2 2 253.346 0.663 20 0 CCADLP CC[C@@H](C(=O)N(CC)CC[NH2+]Cc1ncccn1)[NH+](C)C ZINC001273710364 846672572 /nfs/dbraw/zinc/67/25/72/846672572.db2.gz SQBAGZIHELVKQG-ZDUSSCGKSA-N 2 2 293.415 0.755 20 0 CCADLP CC[N@@H+]1CCN(C[C@H](O)C[NH+]2CCOCC2)C(C)(C)C1 ZINC001251024556 846784143 /nfs/dbraw/zinc/78/41/43/846784143.db2.gz VBBNHHCWSJDPIA-CQSZACIVSA-N 2 2 285.432 0.096 20 0 CCADLP CC[N@H+]1CCN(C[C@H](O)C[NH+]2CCOCC2)C(C)(C)C1 ZINC001251024556 846784150 /nfs/dbraw/zinc/78/41/50/846784150.db2.gz VBBNHHCWSJDPIA-CQSZACIVSA-N 2 2 285.432 0.096 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2ncccn2)C1 ZINC001198165221 847058121 /nfs/dbraw/zinc/05/81/21/847058121.db2.gz PDKGGIYMZBKXCY-QWHCGFSZSA-N 2 2 264.373 0.579 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2ncccn2)C1 ZINC001198165221 847058125 /nfs/dbraw/zinc/05/81/25/847058125.db2.gz PDKGGIYMZBKXCY-QWHCGFSZSA-N 2 2 264.373 0.579 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](c2ncccn2)C1 ZINC001198165221 847058131 /nfs/dbraw/zinc/05/81/31/847058131.db2.gz PDKGGIYMZBKXCY-QWHCGFSZSA-N 2 2 264.373 0.579 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](c2ncccn2)C1 ZINC001198165221 847058134 /nfs/dbraw/zinc/05/81/34/847058134.db2.gz PDKGGIYMZBKXCY-QWHCGFSZSA-N 2 2 264.373 0.579 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)C[N@@H+](C)C(C)C)[nH]1 ZINC001152433101 847080175 /nfs/dbraw/zinc/08/01/75/847080175.db2.gz UTHNTBZPJPCFJF-SNVBAGLBSA-N 2 2 282.392 0.220 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)C[N@H+](C)C(C)C)[nH]1 ZINC001152433101 847080180 /nfs/dbraw/zinc/08/01/80/847080180.db2.gz UTHNTBZPJPCFJF-SNVBAGLBSA-N 2 2 282.392 0.220 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)N1CC2(C1)C[NH+](C)C2 ZINC001199349392 847293661 /nfs/dbraw/zinc/29/36/61/847293661.db2.gz JHGJKNKNJLAUCD-UHFFFAOYSA-N 2 2 260.341 0.535 20 0 CCADLP Cn1cc(C[NH2+]CCC[NH+]2CCC(O)CC2)cn1 ZINC001199722763 847409787 /nfs/dbraw/zinc/40/97/87/847409787.db2.gz XKSXGJNXGKCWQP-UHFFFAOYSA-N 2 2 252.362 0.357 20 0 CCADLP C[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001110644636 847938509 /nfs/dbraw/zinc/93/85/09/847938509.db2.gz VHPQSGDVJSNSIM-ZRJCITRHSA-N 2 2 292.383 0.445 20 0 CCADLP C[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001110644636 847938517 /nfs/dbraw/zinc/93/85/17/847938517.db2.gz VHPQSGDVJSNSIM-ZRJCITRHSA-N 2 2 292.383 0.445 20 0 CCADLP C[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001110644636 847938525 /nfs/dbraw/zinc/93/85/25/847938525.db2.gz VHPQSGDVJSNSIM-ZRJCITRHSA-N 2 2 292.383 0.445 20 0 CCADLP C[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001110644636 847938532 /nfs/dbraw/zinc/93/85/32/847938532.db2.gz VHPQSGDVJSNSIM-ZRJCITRHSA-N 2 2 292.383 0.445 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)CN1CC([N@@H+]2CC[C@H](F)C2)C1 ZINC001253391899 848203678 /nfs/dbraw/zinc/20/36/78/848203678.db2.gz BVQGUYUYBKGTDD-WCQYABFASA-N 2 2 273.396 0.463 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)CN1CC([N@H+]2CC[C@H](F)C2)C1 ZINC001253391899 848203687 /nfs/dbraw/zinc/20/36/87/848203687.db2.gz BVQGUYUYBKGTDD-WCQYABFASA-N 2 2 273.396 0.463 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@H](O)c1ccc(F)c(F)c1 ZINC000717317096 848227649 /nfs/dbraw/zinc/22/76/49/848227649.db2.gz LJDPVLBDTLSYMY-MFKMUULPSA-N 2 2 274.311 0.510 20 0 CCADLP COCCOC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001273995431 848236640 /nfs/dbraw/zinc/23/66/40/848236640.db2.gz IANILAFGHUALFG-ZIAGYGMSSA-N 2 2 299.415 0.234 20 0 CCADLP COCCOC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001273995431 848236650 /nfs/dbraw/zinc/23/66/50/848236650.db2.gz IANILAFGHUALFG-ZIAGYGMSSA-N 2 2 299.415 0.234 20 0 CCADLP CCOCC[NH2+][C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001274241523 848426379 /nfs/dbraw/zinc/42/63/79/848426379.db2.gz PTFUVODHRSFKJA-KGLIPLIRSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@H](C[NH2+]CCF)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001274818181 848574071 /nfs/dbraw/zinc/57/40/71/848574071.db2.gz IJGBZVDZBAPSBO-MNOVXSKESA-N 2 2 268.336 0.509 20 0 CCADLP COCCC[NH+]1CC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001274939131 848598949 /nfs/dbraw/zinc/59/89/49/848598949.db2.gz CDNAHFCPPFNOQR-UHFFFAOYSA-N 2 2 264.373 0.537 20 0 CCADLP C[N@@H+]1C[C@@H]2OCCN(C(=O)[C@H]3CC4CC[NH+]3CC4)[C@H]2C1 ZINC001275043383 848620125 /nfs/dbraw/zinc/62/01/25/848620125.db2.gz COWSTYFXRVANQO-RDBSUJKOSA-N 2 2 279.384 0.012 20 0 CCADLP C[N@H+]1C[C@@H]2OCCN(C(=O)[C@H]3CC4CC[NH+]3CC4)[C@H]2C1 ZINC001275043383 848620130 /nfs/dbraw/zinc/62/01/30/848620130.db2.gz COWSTYFXRVANQO-RDBSUJKOSA-N 2 2 279.384 0.012 20 0 CCADLP c1cn(CCN2C[C@@H]3CC[N@H+](C[C@@H]4CCOC4)[C@@H]3C2)c[nH+]1 ZINC001275171240 848655846 /nfs/dbraw/zinc/65/58/46/848655846.db2.gz IXJHSJOCODRCEK-HRCADAONSA-N 2 2 290.411 0.926 20 0 CCADLP c1cn(CCN2C[C@@H]3CC[N@@H+](C[C@@H]4CCOC4)[C@@H]3C2)c[nH+]1 ZINC001275171240 848655848 /nfs/dbraw/zinc/65/58/48/848655848.db2.gz IXJHSJOCODRCEK-HRCADAONSA-N 2 2 290.411 0.926 20 0 CCADLP Cc1cc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)[nH]n1 ZINC001275211150 848665461 /nfs/dbraw/zinc/66/54/61/848665461.db2.gz KHCSFXDNTHSGEW-GASCZTMLSA-N 2 2 293.415 0.165 20 0 CCADLP Cc1cc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)[nH]n1 ZINC001275211150 848665463 /nfs/dbraw/zinc/66/54/63/848665463.db2.gz KHCSFXDNTHSGEW-GASCZTMLSA-N 2 2 293.415 0.165 20 0 CCADLP C[C@H]1C[C@@H]1C[N@H+]1C[C@H]2CN(CCn3cc[nH+]c3)C[C@@H](C1)O2 ZINC001276032925 848898622 /nfs/dbraw/zinc/89/86/22/848898622.db2.gz QPVYKWKYVIBOBW-XUWVNRHRSA-N 2 2 290.411 0.924 20 0 CCADLP C[C@H]1C[C@@H]1C[N@@H+]1C[C@H]2CN(CCn3cc[nH+]c3)C[C@@H](C1)O2 ZINC001276032925 848898626 /nfs/dbraw/zinc/89/86/26/848898626.db2.gz QPVYKWKYVIBOBW-XUWVNRHRSA-N 2 2 290.411 0.924 20 0 CCADLP C[C@@H](O)C[NH2+]CCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001276042135 848907544 /nfs/dbraw/zinc/90/75/44/848907544.db2.gz VTXCRTWTWQCYGI-LLVKDONJSA-N 2 2 268.361 0.161 20 0 CCADLP C[C@@H](O)C[NH2+]CCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001276042135 848907548 /nfs/dbraw/zinc/90/75/48/848907548.db2.gz VTXCRTWTWQCYGI-LLVKDONJSA-N 2 2 268.361 0.161 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C(C)(C)O)C1 ZINC000719635323 849320945 /nfs/dbraw/zinc/32/09/45/849320945.db2.gz AUFLBNGSJDHIDT-KBPBESRZSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C(C)(C)O)C1 ZINC000719635323 849320954 /nfs/dbraw/zinc/32/09/54/849320954.db2.gz AUFLBNGSJDHIDT-KBPBESRZSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000719635323 849320961 /nfs/dbraw/zinc/32/09/61/849320961.db2.gz AUFLBNGSJDHIDT-KBPBESRZSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000719635323 849320967 /nfs/dbraw/zinc/32/09/67/849320967.db2.gz AUFLBNGSJDHIDT-KBPBESRZSA-N 2 2 288.432 0.408 20 0 CCADLP CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1 ZINC001114655423 849347399 /nfs/dbraw/zinc/34/73/99/849347399.db2.gz LXLZJGWHNHOFHP-IMRBUKKESA-N 2 2 262.357 0.730 20 0 CCADLP CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1 ZINC001114655423 849347404 /nfs/dbraw/zinc/34/74/04/849347404.db2.gz LXLZJGWHNHOFHP-IMRBUKKESA-N 2 2 262.357 0.730 20 0 CCADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000381155839 849734182 /nfs/dbraw/zinc/73/41/82/849734182.db2.gz DDERHCCVORFMOX-RWMBFGLXSA-N 2 2 253.390 0.688 20 0 CCADLP CC(C)[C@H](C)NC(=O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000381155839 849734191 /nfs/dbraw/zinc/73/41/91/849734191.db2.gz DDERHCCVORFMOX-RWMBFGLXSA-N 2 2 253.390 0.688 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001038643266 849793211 /nfs/dbraw/zinc/79/32/11/849793211.db2.gz GDFMWNSHBGYCFI-YPMHNXCESA-N 2 2 295.383 0.526 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001038643266 849793217 /nfs/dbraw/zinc/79/32/17/849793217.db2.gz GDFMWNSHBGYCFI-YPMHNXCESA-N 2 2 295.383 0.526 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001038462207 849912086 /nfs/dbraw/zinc/91/20/86/849912086.db2.gz KVPFNNFHGHTIHF-DGCLKSJQSA-N 2 2 288.351 0.519 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001038462207 849912092 /nfs/dbraw/zinc/91/20/92/849912092.db2.gz KVPFNNFHGHTIHF-DGCLKSJQSA-N 2 2 288.351 0.519 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCO ZINC001039528171 850209429 /nfs/dbraw/zinc/20/94/29/850209429.db2.gz IMBPVFOFFCYNCJ-MJBXVCDLSA-N 2 2 281.400 0.138 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCO ZINC001039528171 850209440 /nfs/dbraw/zinc/20/94/40/850209440.db2.gz IMBPVFOFFCYNCJ-MJBXVCDLSA-N 2 2 281.400 0.138 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCO ZINC001039528171 850209451 /nfs/dbraw/zinc/20/94/51/850209451.db2.gz IMBPVFOFFCYNCJ-MJBXVCDLSA-N 2 2 281.400 0.138 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCO ZINC001039528171 850209457 /nfs/dbraw/zinc/20/94/57/850209457.db2.gz IMBPVFOFFCYNCJ-MJBXVCDLSA-N 2 2 281.400 0.138 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC2(C1)CC[NH+](CCO)CC2 ZINC001040898142 850327979 /nfs/dbraw/zinc/32/79/79/850327979.db2.gz ZARSSMPIPQBXIJ-UHFFFAOYSA-N 2 2 292.383 0.259 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001042091371 850578054 /nfs/dbraw/zinc/57/80/54/850578054.db2.gz VETBKFUZXASGDD-JSGCOSHPSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001042091371 850578059 /nfs/dbraw/zinc/57/80/59/850578059.db2.gz VETBKFUZXASGDD-JSGCOSHPSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001042091371 850578062 /nfs/dbraw/zinc/57/80/62/850578062.db2.gz VETBKFUZXASGDD-JSGCOSHPSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001042091371 850578067 /nfs/dbraw/zinc/57/80/67/850578067.db2.gz VETBKFUZXASGDD-JSGCOSHPSA-N 2 2 292.383 0.257 20 0 CCADLP CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001042314679 850613664 /nfs/dbraw/zinc/61/36/64/850613664.db2.gz VAFSACHNAMJSAX-OCCSQVGLSA-N 2 2 276.384 0.905 20 0 CCADLP CC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001042314679 850613665 /nfs/dbraw/zinc/61/36/65/850613665.db2.gz VAFSACHNAMJSAX-OCCSQVGLSA-N 2 2 276.384 0.905 20 0 CCADLP CC(C)[NH+]1CC(N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001043140814 850820247 /nfs/dbraw/zinc/82/02/47/850820247.db2.gz RAOBKUMPZNJBJN-GFCCVEGCSA-N 2 2 276.384 0.997 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001043872876 850947499 /nfs/dbraw/zinc/94/74/99/850947499.db2.gz AEDFHYYMSCGOOH-STQMWFEESA-N 2 2 283.416 0.506 20 0 CCADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1C[NH+](CC2CCOCC2)C1 ZINC001043976741 850976011 /nfs/dbraw/zinc/97/60/11/850976011.db2.gz XCTPBJNYTAHRLJ-UHFFFAOYSA-N 2 2 292.383 0.521 20 0 CCADLP CN(C(=O)Cc1c[nH+]cn1C)C1C[NH+](CC2CCC2)C1 ZINC001044190357 851037003 /nfs/dbraw/zinc/03/70/03/851037003.db2.gz GWHHTGHPGWSTFM-UHFFFAOYSA-N 2 2 276.384 0.905 20 0 CCADLP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CN(Cc2c[nH+]cn2C)C1 ZINC001044297175 851067646 /nfs/dbraw/zinc/06/76/46/851067646.db2.gz CHTUOSVMSJCBPZ-LBPRGKRZSA-N 2 2 291.399 0.014 20 0 CCADLP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(Cc2c[nH+]cn2C)C1 ZINC001044297175 851067648 /nfs/dbraw/zinc/06/76/48/851067648.db2.gz CHTUOSVMSJCBPZ-LBPRGKRZSA-N 2 2 291.399 0.014 20 0 CCADLP CC(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046214005 851425790 /nfs/dbraw/zinc/42/57/90/851425790.db2.gz AZJOFNZQKZTJAL-UKRRQHHQSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046214005 851425796 /nfs/dbraw/zinc/42/57/96/851425796.db2.gz AZJOFNZQKZTJAL-UKRRQHHQSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001046214005 851425802 /nfs/dbraw/zinc/42/58/02/851425802.db2.gz AZJOFNZQKZTJAL-UKRRQHHQSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001046214005 851425807 /nfs/dbraw/zinc/42/58/07/851425807.db2.gz AZJOFNZQKZTJAL-UKRRQHHQSA-N 2 2 283.416 0.554 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCO)C2 ZINC001047150198 851674801 /nfs/dbraw/zinc/67/48/01/851674801.db2.gz NLIRMPHANMXYKJ-OBJOEFQTSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCO)C2 ZINC001047150198 851674808 /nfs/dbraw/zinc/67/48/08/851674808.db2.gz NLIRMPHANMXYKJ-OBJOEFQTSA-N 2 2 292.383 0.304 20 0 CCADLP CC(C)[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001048489832 851962789 /nfs/dbraw/zinc/96/27/89/851962789.db2.gz LLBRSQBAPYKHLU-QWHCGFSZSA-N 2 2 264.373 0.976 20 0 CCADLP COC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001049130978 852174635 /nfs/dbraw/zinc/17/46/35/852174635.db2.gz CMFFBGHFMOBVHX-UPJWGTAASA-N 2 2 292.383 0.377 20 0 CCADLP COC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]2C1 ZINC001049130978 852174644 /nfs/dbraw/zinc/17/46/44/852174644.db2.gz CMFFBGHFMOBVHX-UPJWGTAASA-N 2 2 292.383 0.377 20 0 CCADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)CO2 ZINC001053756503 852805872 /nfs/dbraw/zinc/80/58/72/852805872.db2.gz YGIWESGAKDXTHH-NEPJUHHUSA-N 2 2 267.373 0.060 20 0 CCADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)CO2 ZINC001053756503 852805866 /nfs/dbraw/zinc/80/58/66/852805866.db2.gz YGIWESGAKDXTHH-NEPJUHHUSA-N 2 2 267.373 0.060 20 0 CCADLP C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1[NH2+]CCF ZINC001054925533 853039170 /nfs/dbraw/zinc/03/91/70/853039170.db2.gz QJZGSMXYDJXZBO-NWDGAFQWSA-N 2 2 282.363 0.759 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001050151780 853324688 /nfs/dbraw/zinc/32/46/88/853324688.db2.gz SZJMGSJTMBVGHW-GXTWGEPZSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001050151780 853324692 /nfs/dbraw/zinc/32/46/92/853324692.db2.gz SZJMGSJTMBVGHW-GXTWGEPZSA-N 2 2 292.383 0.257 20 0 CCADLP CC(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001050848567 853460107 /nfs/dbraw/zinc/46/01/07/853460107.db2.gz LHUCINYNYPMRID-CABCVRRESA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001050848567 853460108 /nfs/dbraw/zinc/46/01/08/853460108.db2.gz LHUCINYNYPMRID-CABCVRRESA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)CC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001050848567 853460112 /nfs/dbraw/zinc/46/01/12/853460112.db2.gz LHUCINYNYPMRID-CABCVRRESA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)CC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001050848567 853460114 /nfs/dbraw/zinc/46/01/14/853460114.db2.gz LHUCINYNYPMRID-CABCVRRESA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001050983765 853500201 /nfs/dbraw/zinc/50/02/01/853500201.db2.gz VSYQTHLOMOEDRV-HUUCEWRRSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001050983765 853500205 /nfs/dbraw/zinc/50/02/05/853500205.db2.gz VSYQTHLOMOEDRV-HUUCEWRRSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)C[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001050983765 853500215 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C[N@@H+](C[C@H](O)C[NH2+]C[C@H](O)c1ccsc1)C1CC1 ZINC000386089209 853916471 /nfs/dbraw/zinc/91/64/71/853916471.db2.gz ICRJHHYOMYXKOF-OLZOCXBDSA-N 2 2 270.398 0.826 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]C[C@H](O)c1ccsc1)C1CC1 ZINC000386089209 853916467 /nfs/dbraw/zinc/91/64/67/853916467.db2.gz ICRJHHYOMYXKOF-OLZOCXBDSA-N 2 2 270.398 0.826 20 0 CCADLP COC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001073485842 854564249 /nfs/dbraw/zinc/56/42/49/854564249.db2.gz CXMFLHHJTYFYOE-CYBMUJFWSA-N 2 2 292.383 0.452 20 0 CCADLP COC[C@@H](C)[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001073485842 854564253 /nfs/dbraw/zinc/56/42/53/854564253.db2.gz CXMFLHHJTYFYOE-CYBMUJFWSA-N 2 2 292.383 0.452 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]([NH2+]CCO)[C@@H]1C ZINC001074954657 854802112 /nfs/dbraw/zinc/80/21/12/854802112.db2.gz GNCLVSDKITWDMA-MDZLAQPJSA-N 2 2 280.372 0.160 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]([NH2+]CCO)[C@@H]1C ZINC001074954657 854802114 /nfs/dbraw/zinc/80/21/14/854802114.db2.gz GNCLVSDKITWDMA-MDZLAQPJSA-N 2 2 280.372 0.160 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC[N@@H+](CC2CC2)C[C@@H]1O ZINC001099871988 855012041 /nfs/dbraw/zinc/01/20/41/855012041.db2.gz NEJAFAKCTJTKFW-KBPBESRZSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC[N@H+](CC2CC2)C[C@@H]1O ZINC001099871988 855012047 /nfs/dbraw/zinc/01/20/47/855012047.db2.gz NEJAFAKCTJTKFW-KBPBESRZSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC[N@@H+](CC2CC2)C[C@@H]1O ZINC001099871988 855012053 /nfs/dbraw/zinc/01/20/53/855012053.db2.gz NEJAFAKCTJTKFW-KBPBESRZSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC[N@H+](CC2CC2)C[C@@H]1O ZINC001099871988 855012056 /nfs/dbraw/zinc/01/20/56/855012056.db2.gz NEJAFAKCTJTKFW-KBPBESRZSA-N 2 2 292.383 0.304 20 0 CCADLP Cc1nc(N(C)CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc[nH+]1 ZINC001100343078 855151929 /nfs/dbraw/zinc/15/19/29/855151929.db2.gz IQNDZIQHWMMUJM-GFCCVEGCSA-N 2 2 291.399 0.679 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC1CC([NH2+]C[C@H]2CCOC2)C1 ZINC001100710276 855212736 /nfs/dbraw/zinc/21/27/36/855212736.db2.gz KRKFPZHALLQRGH-PNESKVBLSA-N 2 2 292.383 0.473 20 0 CCADLP C[C@@H](O)C[NH2+]C1CC(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001100934327 855241423 /nfs/dbraw/zinc/24/14/23/855241423.db2.gz MDDIVPWOTVMKPL-PNESKVBLSA-N 2 2 294.399 0.218 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1CC([NH2+]CC2CC2)C1 ZINC001101071335 855259990 /nfs/dbraw/zinc/25/99/90/855259990.db2.gz CRKQJPIRTLTLCA-UHFFFAOYSA-N 2 2 262.357 0.778 20 0 CCADLP Cc1nc(NC[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001103973650 855557076 /nfs/dbraw/zinc/55/70/76/855557076.db2.gz JDJMRDMGLFXCCL-WCQYABFASA-N 2 2 291.399 0.901 20 0 CCADLP Cc1nc(NC[C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001103973650 855557085 /nfs/dbraw/zinc/55/70/85/855557085.db2.gz JDJMRDMGLFXCCL-WCQYABFASA-N 2 2 291.399 0.901 20 0 CCADLP C[NH+](C)CCCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001116354941 855752131 /nfs/dbraw/zinc/75/21/31/855752131.db2.gz DWFDAKGDVYBKAF-GFCCVEGCSA-N 2 2 264.373 0.904 20 0 CCADLP CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001393360747 912528018 /nfs/dbraw/zinc/52/80/18/912528018.db2.gz SUFJYMPSJUYDGE-ZDUSSCGKSA-N 2 2 283.416 0.434 20 0 CCADLP CCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001393360747 912528029 /nfs/dbraw/zinc/52/80/29/912528029.db2.gz SUFJYMPSJUYDGE-ZDUSSCGKSA-N 2 2 283.416 0.434 20 0 CCADLP COC[C@H](C)[NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001393472246 912592346 /nfs/dbraw/zinc/59/23/46/912592346.db2.gz GMNIDIPPANGJOP-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP Cc1noc(C[NH2+][C@H](C)[C@H](C)NC(=O)CCC[NH+](C)C)n1 ZINC001393961592 912880511 /nfs/dbraw/zinc/88/05/11/912880511.db2.gz HWWSTKGGZLHNBE-MNOVXSKESA-N 2 2 297.403 0.703 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC001394321710 913125618 /nfs/dbraw/zinc/12/56/18/913125618.db2.gz VEYRIRKEIZAQQH-XYYAHUGASA-N 2 2 274.368 0.656 20 0 CCADLP 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896960864 /nfs/dbraw/zinc/96/08/64/896960864.db2.gz SRERCLOPKSQWGE-NWDGAFQWSA-N 2 2 264.373 0.902 20 0 CCADLP CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001485323404 896960876 /nfs/dbraw/zinc/96/08/76/896960876.db2.gz SRERCLOPKSQWGE-NWDGAFQWSA-N 2 2 264.373 0.902 20 0 CCADLP CC1(C)C[N@H+](CCO)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001485572671 897130752 /nfs/dbraw/zinc/13/07/52/897130752.db2.gz WBXBCALOGMEKHB-GFCCVEGCSA-N 2 2 280.372 0.161 20 0 CCADLP CC1(C)C[N@@H+](CCO)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001485572671 897130768 /nfs/dbraw/zinc/13/07/68/897130768.db2.gz WBXBCALOGMEKHB-GFCCVEGCSA-N 2 2 280.372 0.161 20 0 CCADLP CC1(C)C[N@H+](CCO)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001485572671 897130779 /nfs/dbraw/zinc/13/07/79/897130779.db2.gz WBXBCALOGMEKHB-GFCCVEGCSA-N 2 2 280.372 0.161 20 0 CCADLP CC1(C)C[N@@H+](CCO)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001485572671 897130795 /nfs/dbraw/zinc/13/07/95/897130795.db2.gz WBXBCALOGMEKHB-GFCCVEGCSA-N 2 2 280.372 0.161 20 0 CCADLP 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COCCC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001486087612 898648246 /nfs/dbraw/zinc/64/82/46/898648246.db2.gz MZKATNJLNBRFPH-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@H]1[C@H]([NH2+]CCCO)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001486094819 898652460 /nfs/dbraw/zinc/65/24/60/898652460.db2.gz CYYOESWBDXXBOO-UONOGXRCSA-N 2 2 294.399 0.625 20 0 CCADLP CC[NH2+]CCOCCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001486495824 898903000 /nfs/dbraw/zinc/90/30/00/898903000.db2.gz WABKRJMHWLDAEH-ZDUSSCGKSA-N 2 2 294.399 0.530 20 0 CCADLP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]CC(C)(C)S(C)(=O)=O)[C@@H]2C1 ZINC001364633596 899010669 /nfs/dbraw/zinc/01/06/69/899010669.db2.gz FDZJJOVLYGHZSC-TUAOUCFPSA-N 2 2 274.430 0.739 20 0 CCADLP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]CC(C)(C)S(C)(=O)=O)[C@@H]2C1 ZINC001364633596 899010675 /nfs/dbraw/zinc/01/06/75/899010675.db2.gz FDZJJOVLYGHZSC-TUAOUCFPSA-N 2 2 274.430 0.739 20 0 CCADLP CN(CC[NH2+]CCF)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001493605331 899054951 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CC(C)C[NH2+]C[C@@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001320226517 900919118 /nfs/dbraw/zinc/91/91/18/900919118.db2.gz DENJEJVUBFKMGF-GFCCVEGCSA-N 2 2 268.361 0.065 20 0 CCADLP CC(C)C[NH2+]C[C@@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001320226517 900919129 /nfs/dbraw/zinc/91/91/29/900919129.db2.gz DENJEJVUBFKMGF-GFCCVEGCSA-N 2 2 268.361 0.065 20 0 CCADLP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nncs1 ZINC001442004158 901042469 /nfs/dbraw/zinc/04/24/69/901042469.db2.gz CXHCQKYCCYQXPI-QWRGUYRKSA-N 2 2 297.428 0.474 20 0 CCADLP C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1nncs1 ZINC001442004158 901042481 /nfs/dbraw/zinc/04/24/81/901042481.db2.gz CXHCQKYCCYQXPI-QWRGUYRKSA-N 2 2 297.428 0.474 20 0 CCADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001412693011 901953047 /nfs/dbraw/zinc/95/30/47/901953047.db2.gz JUHBMTKQGZOFHL-NEPJUHHUSA-N 2 2 290.367 0.035 20 0 CCADLP CC(C)(C(=O)N1CC([NH2+]C2COC2)C1)[NH+]1CCCCC1 ZINC001412734426 902001681 /nfs/dbraw/zinc/00/16/81/902001681.db2.gz IDVYNYOQWIOUIR-UHFFFAOYSA-N 2 2 281.400 0.450 20 0 CCADLP CC(C)(C)S(=O)(=O)CCC[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000718693931 902241745 /nfs/dbraw/zinc/24/17/45/902241745.db2.gz VKZSYSNDJADNAV-LLVKDONJSA-N 2 2 262.419 0.870 20 0 CCADLP CC(C)(C)S(=O)(=O)CCC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000718693931 902241750 /nfs/dbraw/zinc/24/17/50/902241750.db2.gz VKZSYSNDJADNAV-LLVKDONJSA-N 2 2 262.419 0.870 20 0 CCADLP Cn1nccc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001413131645 902727928 /nfs/dbraw/zinc/72/79/28/902727928.db2.gz GDCCQMHXJYLPBI-GJZGRUSLSA-N 2 2 278.400 0.888 20 0 CCADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001413424993 902941919 /nfs/dbraw/zinc/94/19/19/902941919.db2.gz GTIFTVPDFILMOE-PWSUYJOCSA-N 2 2 282.388 0.596 20 0 CCADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001413424993 902941928 /nfs/dbraw/zinc/94/19/28/902941928.db2.gz GTIFTVPDFILMOE-PWSUYJOCSA-N 2 2 282.388 0.596 20 0 CCADLP COCCC[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001490897626 903185626 /nfs/dbraw/zinc/18/56/26/903185626.db2.gz OMIOOWMRFWSJGI-JOCQHMNTSA-N 2 2 280.372 0.616 20 0 CCADLP COCCC[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001490897626 903185634 /nfs/dbraw/zinc/18/56/34/903185634.db2.gz OMIOOWMRFWSJGI-JOCQHMNTSA-N 2 2 280.372 0.616 20 0 CCADLP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1csnn1 ZINC001491478152 903615066 /nfs/dbraw/zinc/61/50/66/903615066.db2.gz OVZWXHCSZPGPNN-SNVBAGLBSA-N 2 2 297.428 0.617 20 0 CCADLP CCOCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001216392420 903859129 /nfs/dbraw/zinc/85/91/29/903859129.db2.gz DHTVUSOERZSBIV-TZMCWYRMSA-N 2 2 294.399 0.436 20 0 CCADLP C[NH2+]C[C@H]1CCCN(C(=O)NCc2c[nH+]cn2C)C1 ZINC001331438161 903985579 /nfs/dbraw/zinc/98/55/79/903985579.db2.gz MAUZMLGSLKWPML-LLVKDONJSA-N 2 2 265.361 0.561 20 0 CCADLP CC(C)OCC[NH2+][C@H](C)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001282205674 904431390 /nfs/dbraw/zinc/43/13/90/904431390.db2.gz HGSSPAUTTZUHEA-NEPJUHHUSA-N 2 2 282.388 0.860 20 0 CCADLP CCOCC[N@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001282504293 904496749 /nfs/dbraw/zinc/49/67/49/904496749.db2.gz NFCJGYDKKXANFZ-GFCCVEGCSA-N 2 2 268.361 0.356 20 0 CCADLP CCOCC[N@@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001282504293 904496753 /nfs/dbraw/zinc/49/67/53/904496753.db2.gz NFCJGYDKKXANFZ-GFCCVEGCSA-N 2 2 268.361 0.356 20 0 CCADLP Cc1cc(C[NH+](C)CCNC(=O)C[N@@H+](C)C(C)C)ncn1 ZINC001377276236 904746041 /nfs/dbraw/zinc/74/60/41/904746041.db2.gz QZCINALNLIFJSC-UHFFFAOYSA-N 2 2 293.415 0.673 20 0 CCADLP Cc1cc(C[NH+](C)CCNC(=O)C[N@H+](C)C(C)C)ncn1 ZINC001377276236 904746050 /nfs/dbraw/zinc/74/60/50/904746050.db2.gz QZCINALNLIFJSC-UHFFFAOYSA-N 2 2 293.415 0.673 20 0 CCADLP Cc1cc(C[N@@H+](C)CCNC(=O)C[NH+](C)C(C)C)ncn1 ZINC001377276236 904746060 /nfs/dbraw/zinc/74/60/60/904746060.db2.gz QZCINALNLIFJSC-UHFFFAOYSA-N 2 2 293.415 0.673 20 0 CCADLP Cc1cc(C[N@H+](C)CCNC(=O)C[NH+](C)C(C)C)ncn1 ZINC001377276236 904746069 /nfs/dbraw/zinc/74/60/69/904746069.db2.gz QZCINALNLIFJSC-UHFFFAOYSA-N 2 2 293.415 0.673 20 0 CCADLP C[C@H](CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CCCO ZINC001283630907 904939667 /nfs/dbraw/zinc/93/96/67/904939667.db2.gz SBSQXDRZHTULFJ-OLZOCXBDSA-N 2 2 294.399 0.264 20 0 CCADLP C[C@@H](CC(=O)NCC[N@H+](CCO)C1CC1)n1cc[nH+]c1 ZINC001377546813 904984008 /nfs/dbraw/zinc/98/40/08/904984008.db2.gz LWQVFRQXRVOFFY-LBPRGKRZSA-N 2 2 280.372 0.407 20 0 CCADLP C[C@@H](CC(=O)NCC[N@@H+](CCO)C1CC1)n1cc[nH+]c1 ZINC001377546813 904984013 /nfs/dbraw/zinc/98/40/13/904984013.db2.gz LWQVFRQXRVOFFY-LBPRGKRZSA-N 2 2 280.372 0.407 20 0 CCADLP CCCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001283765428 905001363 /nfs/dbraw/zinc/00/13/63/905001363.db2.gz UOVYJQZOAADEQE-IJLUTSLNSA-N 2 2 280.372 0.380 20 0 CCADLP CCCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001283765428 905001388 /nfs/dbraw/zinc/00/13/88/905001388.db2.gz UOVYJQZOAADEQE-IJLUTSLNSA-N 2 2 280.372 0.380 20 0 CCADLP C[N@H+](CCO)C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001377769001 905151039 /nfs/dbraw/zinc/15/10/39/905151039.db2.gz LKCMDLFMASDFEG-ZDUSSCGKSA-N 2 2 280.372 0.046 20 0 CCADLP C[N@@H+](CCO)C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001377769001 905151045 /nfs/dbraw/zinc/15/10/45/905151045.db2.gz LKCMDLFMASDFEG-ZDUSSCGKSA-N 2 2 280.372 0.046 20 0 CCADLP Cc1nocc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001377857731 905190494 /nfs/dbraw/zinc/19/04/94/905190494.db2.gz GTRQLYSZPIXEPA-VHSXEESVSA-N 2 2 291.355 0.932 20 0 CCADLP CCC[N@H+](C)CC(=O)NC1CN(Cc2c[nH+]cn2C)C1 ZINC001377943359 905266240 /nfs/dbraw/zinc/26/62/40/905266240.db2.gz XXRDKCHZTOIHOX-UHFFFAOYSA-N 2 2 279.388 0.062 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC1CN(Cc2c[nH+]cn2C)C1 ZINC001377943359 905266255 /nfs/dbraw/zinc/26/62/55/905266255.db2.gz XXRDKCHZTOIHOX-UHFFFAOYSA-N 2 2 279.388 0.062 20 0 CCADLP CC(C)OCC[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001284794355 905437685 /nfs/dbraw/zinc/43/76/85/905437685.db2.gz ARDJQIOEDYEDOW-UHFFFAOYSA-N 2 2 294.399 0.956 20 0 CCADLP C[C@@H](O)C[NH2+]CC1(NC(=O)CCn2cc[nH+]c2)CCCC1 ZINC001378351317 905604274 /nfs/dbraw/zinc/60/42/74/905604274.db2.gz FEFAOENXONLUCY-CYBMUJFWSA-N 2 2 294.399 0.673 20 0 CCADLP C[C@H](C[NH2+]Cc1csnn1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001378856541 905861550 /nfs/dbraw/zinc/86/15/50/905861550.db2.gz VRIYMNKFQBULLQ-MNOVXSKESA-N 2 2 297.428 0.426 20 0 CCADLP C[C@H](C[NH2+]Cc1csnn1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001378856541 905861559 /nfs/dbraw/zinc/86/15/59/905861559.db2.gz VRIYMNKFQBULLQ-MNOVXSKESA-N 2 2 297.428 0.426 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001379008823 905926772 /nfs/dbraw/zinc/92/67/72/905926772.db2.gz LBKIMQFNCJQSHL-RYUDHWBXSA-N 2 2 282.388 0.718 20 0 CCADLP Cc1noc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001379101977 905997723 /nfs/dbraw/zinc/99/77/23/905997723.db2.gz ITHVZDPSWUFGMQ-PWSUYJOCSA-N 2 2 295.387 0.409 20 0 CCADLP Cc1noc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001379101977 905997737 /nfs/dbraw/zinc/99/77/37/905997737.db2.gz ITHVZDPSWUFGMQ-PWSUYJOCSA-N 2 2 295.387 0.409 20 0 CCADLP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1csnn1)[NH+](C)C ZINC001379549749 906342501 /nfs/dbraw/zinc/34/25/01/906342501.db2.gz GNRUOSAGJGBTHG-CMPLNLGQSA-N 2 2 299.444 0.719 20 0 CCADLP C[C@@H](C[N@H+](C)CCCO)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001379701012 906437608 /nfs/dbraw/zinc/43/76/08/906437608.db2.gz UOCRAMADRLPGDY-STQMWFEESA-N 2 2 294.399 0.264 20 0 CCADLP C[C@@H](C[N@@H+](C)CCCO)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001379701012 906437616 /nfs/dbraw/zinc/43/76/16/906437616.db2.gz UOCRAMADRLPGDY-STQMWFEESA-N 2 2 294.399 0.264 20 0 CCADLP O=S1(=O)CCC[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001334858865 906465771 /nfs/dbraw/zinc/46/57/71/906465771.db2.gz KOXRPXOJINTNPS-GHMZBOCLSA-N 2 2 269.370 0.365 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1Cc1cnn(C)c1)[NH+](C)C ZINC001380006014 906582589 /nfs/dbraw/zinc/58/25/89/906582589.db2.gz FBFIWDVWQGYEJN-KBPBESRZSA-N 2 2 293.415 0.451 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+]1Cc1cnn(C)c1)[NH+](C)C ZINC001380006014 906582598 /nfs/dbraw/zinc/58/25/98/906582598.db2.gz FBFIWDVWQGYEJN-KBPBESRZSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)CCc1[nH+]ccn1C ZINC001380280670 906713868 /nfs/dbraw/zinc/71/38/68/906713868.db2.gz QVPRDNSAOYURFU-QWHCGFSZSA-N 2 2 294.399 0.314 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC1([NH2+]CCF)CCOCC1 ZINC001380510310 906791910 /nfs/dbraw/zinc/79/19/10/906791910.db2.gz RSARVQXOKISGCZ-UHFFFAOYSA-N 2 2 284.335 0.177 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCC[N@@H+](CCCO)CC1 ZINC001380928937 906990902 /nfs/dbraw/zinc/99/09/02/906990902.db2.gz IDHYUVZCJHAFMC-ZDUSSCGKSA-N 2 2 294.399 0.695 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCC[N@H+](CCCO)CC1 ZINC001380928937 906990913 /nfs/dbraw/zinc/99/09/13/906990913.db2.gz IDHYUVZCJHAFMC-ZDUSSCGKSA-N 2 2 294.399 0.695 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCC[N@@H+](CCCO)CC1 ZINC001380928937 906990930 /nfs/dbraw/zinc/99/09/30/906990930.db2.gz IDHYUVZCJHAFMC-ZDUSSCGKSA-N 2 2 294.399 0.695 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCC[N@H+](CCCO)CC1 ZINC001380928937 906990940 /nfs/dbraw/zinc/99/09/40/906990940.db2.gz IDHYUVZCJHAFMC-ZDUSSCGKSA-N 2 2 294.399 0.695 20 0 CCADLP C[C@H](O)C[N@H+](C)C[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001381300625 907146959 /nfs/dbraw/zinc/14/69/59/907146959.db2.gz JGEHFLTVLSDBDE-KBPBESRZSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@H](O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001381300625 907146975 /nfs/dbraw/zinc/14/69/75/907146975.db2.gz JGEHFLTVLSDBDE-KBPBESRZSA-N 2 2 294.399 0.577 20 0 CCADLP C[NH+](C)C1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CCCC1 ZINC001298232624 907191019 /nfs/dbraw/zinc/19/10/19/907191019.db2.gz SBFGGEDYWURLIX-NSHDSACASA-N 2 2 262.357 0.798 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]2CCCC2)o1 ZINC001381455468 907213035 /nfs/dbraw/zinc/21/30/35/907213035.db2.gz VYSHWBZPODCLIE-GHMZBOCLSA-N 2 2 295.387 0.457 20 0 CCADLP CC(C)C[NH2+][C@H](C)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001381935669 907460508 /nfs/dbraw/zinc/46/05/08/907460508.db2.gz DWVPDTUASULMSN-ZIAGYGMSSA-N 2 2 294.399 0.745 20 0 CCADLP CO[C@H](C)C[N@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001381990213 907485671 /nfs/dbraw/zinc/48/56/71/907485671.db2.gz VTELMBWZTLVKEH-CYBMUJFWSA-N 2 2 294.399 0.841 20 0 CCADLP CO[C@H](C)C[N@@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001381990213 907485680 /nfs/dbraw/zinc/48/56/80/907485680.db2.gz VTELMBWZTLVKEH-CYBMUJFWSA-N 2 2 294.399 0.841 20 0 CCADLP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ncccn1)[NH+](C)C ZINC001382091146 907544046 /nfs/dbraw/zinc/54/40/46/907544046.db2.gz UIPHORHZZVLFCM-CHWSQXEVSA-N 2 2 293.415 0.753 20 0 CCADLP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]C[C@@H]1CCCOC1 ZINC001382112501 907553370 /nfs/dbraw/zinc/55/33/70/907553370.db2.gz AHGOJIFLIUWKGI-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CCC[C@H](C[NH3+])C1 ZINC001337994747 921335444 /nfs/dbraw/zinc/33/54/44/921335444.db2.gz VATNVEFHWHHIIP-SNVBAGLBSA-N 2 2 251.334 0.300 20 0 CCADLP CCC[N@@H+]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001493251057 907691250 /nfs/dbraw/zinc/69/12/50/907691250.db2.gz SDRCVGKYRDZEHG-NSHDSACASA-N 2 2 250.346 0.800 20 0 CCADLP CCC[N@H+]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001493251057 907691260 /nfs/dbraw/zinc/69/12/60/907691260.db2.gz SDRCVGKYRDZEHG-NSHDSACASA-N 2 2 250.346 0.800 20 0 CCADLP C[C@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC[C@@H]1CCOC1 ZINC001492102395 907705655 /nfs/dbraw/zinc/70/56/55/907705655.db2.gz XJHSYLALSROVFT-CHWSQXEVSA-N 2 2 294.399 0.863 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC[C@@H]1CCC[N@H+]1CCO ZINC001492171052 907725729 /nfs/dbraw/zinc/72/57/29/907725729.db2.gz KFXUUAVOGMQSED-GFCCVEGCSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC[C@@H]1CCC[N@@H+]1CCO ZINC001492171052 907725740 /nfs/dbraw/zinc/72/57/40/907725740.db2.gz KFXUUAVOGMQSED-GFCCVEGCSA-N 2 2 280.372 0.305 20 0 CCADLP CC[C@H](C[N@H+](C)CCNC(=O)Cc1c[nH]c[nH+]1)OC ZINC001492435764 907920135 /nfs/dbraw/zinc/92/01/35/907920135.db2.gz YWJRECZGGXDTNN-GFCCVEGCSA-N 2 2 268.361 0.425 20 0 CCADLP CC[C@H](C[N@@H+](C)CCNC(=O)Cc1c[nH]c[nH+]1)OC ZINC001492435764 907920157 /nfs/dbraw/zinc/92/01/57/907920157.db2.gz YWJRECZGGXDTNN-GFCCVEGCSA-N 2 2 268.361 0.425 20 0 CCADLP C[C@H](C(N)=O)[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001308172384 908394309 /nfs/dbraw/zinc/39/43/09/908394309.db2.gz YORHLDAKVNCCDB-BNOWGMLFSA-N 2 2 251.374 0.668 20 0 CCADLP C[C@H](C(N)=O)[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001308172384 908394319 /nfs/dbraw/zinc/39/43/19/908394319.db2.gz YORHLDAKVNCCDB-BNOWGMLFSA-N 2 2 251.374 0.668 20 0 CCADLP C[C@H](C(N)=O)[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001308172384 908394329 /nfs/dbraw/zinc/39/43/29/908394329.db2.gz YORHLDAKVNCCDB-BNOWGMLFSA-N 2 2 251.374 0.668 20 0 CCADLP C[C@H](C(N)=O)[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001308172384 908394338 /nfs/dbraw/zinc/39/43/38/908394338.db2.gz YORHLDAKVNCCDB-BNOWGMLFSA-N 2 2 251.374 0.668 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2cnsc2)C1 ZINC001308255595 908401005 /nfs/dbraw/zinc/40/10/05/908401005.db2.gz GLFHXRACNIAPER-GFCCVEGCSA-N 2 2 282.413 0.820 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2cnsc2)C1 ZINC001308255595 908401011 /nfs/dbraw/zinc/40/10/11/908401011.db2.gz GLFHXRACNIAPER-GFCCVEGCSA-N 2 2 282.413 0.820 20 0 CCADLP C[NH2+]C[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001328842702 908714873 /nfs/dbraw/zinc/71/48/73/908714873.db2.gz UVHLICFSQFNZMD-NEPJUHHUSA-N 2 2 250.346 0.902 20 0 CCADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]CC1CC1 ZINC001317247308 909085420 /nfs/dbraw/zinc/08/54/20/909085420.db2.gz SUEXNFQYVJEJGF-JTQLQIEISA-N 2 2 250.346 0.847 20 0 CCADLP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]CC1CC1 ZINC001317247308 909085435 /nfs/dbraw/zinc/08/54/35/909085435.db2.gz SUEXNFQYVJEJGF-JTQLQIEISA-N 2 2 250.346 0.847 20 0 CCADLP CCC[N@H+](C)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001317451493 909222183 /nfs/dbraw/zinc/22/21/83/909222183.db2.gz NHEMCJHLODJGMW-GFCCVEGCSA-N 2 2 264.373 0.904 20 0 CCADLP CCC[N@@H+](C)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001317451493 909222194 /nfs/dbraw/zinc/22/21/94/909222194.db2.gz NHEMCJHLODJGMW-GFCCVEGCSA-N 2 2 264.373 0.904 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001388786388 909588876 /nfs/dbraw/zinc/58/88/76/909588876.db2.gz BQHXGKNNTMYETB-UPJWGTAASA-N 2 2 280.372 0.233 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001388786388 909588882 /nfs/dbraw/zinc/58/88/82/909588882.db2.gz BQHXGKNNTMYETB-UPJWGTAASA-N 2 2 280.372 0.233 20 0 CCADLP CC[NH+]1CC(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001318160825 909648937 /nfs/dbraw/zinc/64/89/37/909648937.db2.gz COLRSOPQNXNGFU-SNVBAGLBSA-N 2 2 250.346 0.656 20 0 CCADLP CC[NH+]1CC(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001318160825 909648950 /nfs/dbraw/zinc/64/89/50/909648950.db2.gz COLRSOPQNXNGFU-SNVBAGLBSA-N 2 2 250.346 0.656 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C[NH2+]C(C)(C)C ZINC001338605045 921524837 /nfs/dbraw/zinc/52/48/37/921524837.db2.gz HUQZAXKGYBVPRF-LLVKDONJSA-N 2 2 257.378 0.211 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C[NH2+]C(C)(C)C ZINC001338605045 921524845 /nfs/dbraw/zinc/52/48/45/921524845.db2.gz HUQZAXKGYBVPRF-LLVKDONJSA-N 2 2 257.378 0.211 20 0 CCADLP COCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001319245055 910051857 /nfs/dbraw/zinc/05/18/57/910051857.db2.gz KQRCLCWEBRUZIS-JHJVBQTASA-N 2 2 294.399 0.512 20 0 CCADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1[NH2+]CCCO ZINC001319707642 910264059 /nfs/dbraw/zinc/26/40/59/910264059.db2.gz GAWGHZXBNMXXCU-RYUDHWBXSA-N 2 2 280.372 0.161 20 0 CCADLP CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001320020667 910418083 /nfs/dbraw/zinc/41/80/83/910418083.db2.gz KGMSPANOBXIMNM-GFCCVEGCSA-N 2 2 264.373 0.856 20 0 CCADLP CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001320020667 910418096 /nfs/dbraw/zinc/41/80/96/910418096.db2.gz KGMSPANOBXIMNM-GFCCVEGCSA-N 2 2 264.373 0.856 20 0 CCADLP Cc1noc(C[NH2+][C@H](C)CNC(=O)CCC[NH+](C)C)n1 ZINC001390460510 910436840 /nfs/dbraw/zinc/43/68/40/910436840.db2.gz JVIOMFSRKDREQK-SNVBAGLBSA-N 2 2 283.376 0.314 20 0 CCADLP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1csnn1 ZINC001390477692 910453766 /nfs/dbraw/zinc/45/37/66/910453766.db2.gz XQGBUWOOAZFZGA-VIFPVBQESA-N 2 2 271.390 0.084 20 0 CCADLP CCC[NH2+]C[C@H](O)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001320230358 910543245 /nfs/dbraw/zinc/54/32/45/910543245.db2.gz IUVFITKRPZHWGL-ZDUSSCGKSA-N 2 2 294.399 0.239 20 0 CCADLP CCc1nocc1C[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001390742036 910636992 /nfs/dbraw/zinc/63/69/92/910636992.db2.gz MUFDDTGBZODNNN-CQSZACIVSA-N 2 2 294.399 0.879 20 0 CCADLP CCc1nocc1C[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001390742036 910636998 /nfs/dbraw/zinc/63/69/98/910636998.db2.gz MUFDDTGBZODNNN-CQSZACIVSA-N 2 2 294.399 0.879 20 0 CCADLP CCc1nocc1C[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001390742036 910637010 /nfs/dbraw/zinc/63/70/10/910637010.db2.gz MUFDDTGBZODNNN-CQSZACIVSA-N 2 2 294.399 0.879 20 0 CCADLP CCc1nocc1C[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001390742036 910637016 /nfs/dbraw/zinc/63/70/16/910637016.db2.gz MUFDDTGBZODNNN-CQSZACIVSA-N 2 2 294.399 0.879 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001391102362 910874813 /nfs/dbraw/zinc/87/48/13/910874813.db2.gz OKUVAJQTTYHAEL-RYUDHWBXSA-N 2 2 280.372 0.425 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001391102362 910874829 /nfs/dbraw/zinc/87/48/29/910874829.db2.gz OKUVAJQTTYHAEL-RYUDHWBXSA-N 2 2 280.372 0.425 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCN(C)C(=O)CCC[NH+](C)C)o1 ZINC001391228164 910990614 /nfs/dbraw/zinc/99/06/14/910990614.db2.gz PEFXINKFEKORMV-LLVKDONJSA-N 2 2 297.403 0.829 20 0 CCADLP C[C@@H](CC(=O)NCC[C@@H]1CC[N@H+](CCO)C1)n1cc[nH+]c1 ZINC001391315772 911035164 /nfs/dbraw/zinc/03/51/64/911035164.db2.gz HFDDPYRMIKFOSA-UONOGXRCSA-N 2 2 294.399 0.655 20 0 CCADLP C[C@@H](CC(=O)NCC[C@@H]1CC[N@@H+](CCO)C1)n1cc[nH+]c1 ZINC001391315772 911035184 /nfs/dbraw/zinc/03/51/84/911035184.db2.gz HFDDPYRMIKFOSA-UONOGXRCSA-N 2 2 294.399 0.655 20 0 CCADLP CC[C@H](C(=O)NC1C[NH+](C[C@@H]2CC(C)(C)CO2)C1)[NH+](C)C ZINC001391422143 911118199 /nfs/dbraw/zinc/11/81/99/911118199.db2.gz RUAGCYQBEFEHKZ-UONOGXRCSA-N 2 2 297.443 0.942 20 0 CCADLP CC[NH2+]C/C=C\CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001321210720 911164027 /nfs/dbraw/zinc/16/40/27/911164027.db2.gz VGCANZGZUCQUSR-YVACAVLKSA-N 2 2 295.427 0.912 20 0 CCADLP CC[NH2+]C/C=C\CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001321210720 911164037 /nfs/dbraw/zinc/16/40/37/911164037.db2.gz VGCANZGZUCQUSR-YVACAVLKSA-N 2 2 295.427 0.912 20 0 CCADLP CO[C@H](C)C[NH2+]C/C=C/CNC(=O)Cc1c[nH+]cn1C ZINC001321336678 911241417 /nfs/dbraw/zinc/24/14/17/911241417.db2.gz LOGXODBVSRUISH-ZYOFXKKJSA-N 2 2 280.372 0.260 20 0 CCADLP CN(CC[N@@H+](C)C[C@H]1CCCOC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001392305882 911714881 /nfs/dbraw/zinc/71/48/81/911714881.db2.gz VXFGHRXXYSLDOX-CYBMUJFWSA-N 2 2 294.399 0.769 20 0 CCADLP CN(CCC[NH2+]CCO)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001322518254 911843793 /nfs/dbraw/zinc/84/37/93/911843793.db2.gz ZQBAXZOIZHEZFT-UHFFFAOYSA-N 2 2 294.399 0.192 20 0 CCADLP Cc1conc1C[NH2+]C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001392499214 911864606 /nfs/dbraw/zinc/86/46/06/911864606.db2.gz ZQKPOAVXVYIGAR-LLVKDONJSA-N 2 2 291.355 0.782 20 0 CCADLP C[C@H](O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001322583026 911870167 /nfs/dbraw/zinc/87/01/67/911870167.db2.gz WELAIPPXFYRLQY-QWHCGFSZSA-N 2 2 294.399 0.264 20 0 CCADLP Cc1ncc(C[NH2+]C[C@@H](C)NC(=O)Cn2cc[nH+]c2)cn1 ZINC001392535538 911900805 /nfs/dbraw/zinc/90/08/05/911900805.db2.gz GOKQZNGBGJNTAL-LLVKDONJSA-N 2 2 288.355 0.276 20 0 CCADLP Cc1nnc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001392549373 911920484 /nfs/dbraw/zinc/92/04/84/911920484.db2.gz KSACYHGCMOHJFU-GXSJLCMTSA-N 2 2 281.360 0.067 20 0 CCADLP Cc1nnc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001392549373 911920494 /nfs/dbraw/zinc/92/04/94/911920494.db2.gz KSACYHGCMOHJFU-GXSJLCMTSA-N 2 2 281.360 0.067 20 0 CCADLP C[C@@H](C[NH2+]C[C@@H]1CCCCO1)NC(=O)CCn1cc[nH+]c1 ZINC001392583788 911960074 /nfs/dbraw/zinc/96/00/74/911960074.db2.gz PTCXCGQRMLNLQG-KBPBESRZSA-N 2 2 294.399 0.937 20 0 CCADLP C[C@@H](C[NH2+][C@@H](C)c1csnn1)NC(=O)CC[NH+](C)C ZINC001392595474 911972912 /nfs/dbraw/zinc/97/29/12/911972912.db2.gz SWGCSRZZTYWVGS-UWVGGRQHSA-N 2 2 285.417 0.645 20 0 CCADLP CC[C@H](F)C[NH2+]C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001392608412 911984684 /nfs/dbraw/zinc/98/46/84/911984684.db2.gz NXNRUQHRMVZGEL-QWRGUYRKSA-N 2 2 270.352 0.805 20 0 CCADLP Cc1noc(C[NH2+]C[C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001392609333 911991754 /nfs/dbraw/zinc/99/17/54/911991754.db2.gz YVVXWCCANCMACP-CMPLNLGQSA-N 2 2 295.387 0.314 20 0 CCADLP Cc1noc(C[NH2+]C[C@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001392609333 911991764 /nfs/dbraw/zinc/99/17/64/911991764.db2.gz YVVXWCCANCMACP-CMPLNLGQSA-N 2 2 295.387 0.314 20 0 CCADLP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1CC(=O)NC(C)(C)C ZINC001392855629 912201548 /nfs/dbraw/zinc/20/15/48/912201548.db2.gz OOWXVVGAGJOKBU-LBPRGKRZSA-N 2 2 298.431 0.043 20 0 CCADLP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1CC(=O)NC(C)(C)C ZINC001392855629 912201561 /nfs/dbraw/zinc/20/15/61/912201561.db2.gz OOWXVVGAGJOKBU-LBPRGKRZSA-N 2 2 298.431 0.043 20 0 CCADLP C[C@@H]1C[C@@H](N(C)C(=O)C[C@H]([NH3+])C(F)F)CC[N@@H+]1C ZINC001343440360 923314631 /nfs/dbraw/zinc/31/46/31/923314631.db2.gz XYFRGMMGGPINBQ-UTLUCORTSA-N 2 2 263.332 0.910 20 0 CCADLP C[C@@H]1C[C@@H](N(C)C(=O)C[C@H]([NH3+])C(F)F)CC[N@H+]1C ZINC001343440360 923314642 /nfs/dbraw/zinc/31/46/42/923314642.db2.gz XYFRGMMGGPINBQ-UTLUCORTSA-N 2 2 263.332 0.910 20 0 CCADLP C[N@H+](CCCO)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001399502210 915207265 /nfs/dbraw/zinc/20/72/65/915207265.db2.gz XURFMXYUVDWYJT-UHFFFAOYSA-N 2 2 276.340 0.607 20 0 CCADLP C[N@@H+](CCCO)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001399502210 915207275 /nfs/dbraw/zinc/20/72/75/915207275.db2.gz XURFMXYUVDWYJT-UHFFFAOYSA-N 2 2 276.340 0.607 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001418002997 921755848 /nfs/dbraw/zinc/75/58/48/921755848.db2.gz BDCRCMXWSHDEEV-YGRLFVJLSA-N 2 2 294.399 0.780 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCN(C)C(=O)C[NH+]2CCCC2)[nH]1 ZINC001400084355 915556113 /nfs/dbraw/zinc/55/61/13/915556113.db2.gz JYFJDDOTBSZLAA-LLVKDONJSA-N 2 2 294.403 0.318 20 0 CCADLP CCOCC[N@H+](C)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001329558389 916009929 /nfs/dbraw/zinc/00/99/29/916009929.db2.gz FVJKIXBXRRGWOB-LLVKDONJSA-N 2 2 268.361 0.425 20 0 CCADLP O=C([C@@H]1[NH2+]C[C@@H]2C[C@@H]21)N1CCC(n2cc[nH+]c2)CC1 ZINC001329646744 916096862 /nfs/dbraw/zinc/09/68/62/916096862.db2.gz KGXPDMHPNWDNPQ-WCFLWFBJSA-N 2 2 260.341 0.655 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccon1 ZINC001401225902 916133517 /nfs/dbraw/zinc/13/35/17/916133517.db2.gz QWPBHHUSFNPELY-NSHDSACASA-N 2 2 291.355 0.816 20 0 CCADLP C[C@H](C[NH2+]C[C@@H]1CCOC1)N(C)C(=O)Cc1c[nH+]cn1C ZINC001401260076 916149168 /nfs/dbraw/zinc/14/91/68/916149168.db2.gz WTPCWDNHSYTJBV-OLZOCXBDSA-N 2 2 294.399 0.436 20 0 CCADLP CC[C@@H](C)C[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001401566224 916332778 /nfs/dbraw/zinc/33/27/78/916332778.db2.gz MISGBLJKJQNDIM-ZYHUDNBSSA-N 2 2 282.388 0.373 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)C[NH2+]CC1CCCC1 ZINC001401571567 916334984 /nfs/dbraw/zinc/33/49/84/916334984.db2.gz TZMOJWHAHXJZBW-ZDUSSCGKSA-N 2 2 294.399 0.518 20 0 CCADLP CCc1noc([C@H](C)[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001401700143 916489887 /nfs/dbraw/zinc/48/98/87/916489887.db2.gz OACLLYZONGNHEP-QWRGUYRKSA-N 2 2 297.403 0.739 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]C[C@H](C)NC(=O)CCC[NH+](C)C)o1 ZINC001401703763 916497606 /nfs/dbraw/zinc/49/76/06/916497606.db2.gz YZFWWSJJMSDZKN-QWRGUYRKSA-N 2 2 297.403 0.875 20 0 CCADLP CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001401751365 916567930 /nfs/dbraw/zinc/56/79/30/916567930.db2.gz ARSAEBCTOMZXRJ-OLZOCXBDSA-N 2 2 298.431 0.043 20 0 CCADLP CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001401751365 916567942 /nfs/dbraw/zinc/56/79/42/916567942.db2.gz ARSAEBCTOMZXRJ-OLZOCXBDSA-N 2 2 298.431 0.043 20 0 CCADLP CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001401751365 916567951 /nfs/dbraw/zinc/56/79/51/916567951.db2.gz ARSAEBCTOMZXRJ-OLZOCXBDSA-N 2 2 298.431 0.043 20 0 CCADLP CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001401751365 916567964 /nfs/dbraw/zinc/56/79/64/916567964.db2.gz ARSAEBCTOMZXRJ-OLZOCXBDSA-N 2 2 298.431 0.043 20 0 CCADLP C[C@H](C[N@H+](C)CC[C@@H]1CCCO1)NC(=O)Cn1cc[nH+]c1 ZINC001401823059 916617059 /nfs/dbraw/zinc/61/70/59/916617059.db2.gz ONSBLORYDOCSGT-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@H](C[N@@H+](C)CC[C@@H]1CCCO1)NC(=O)Cn1cc[nH+]c1 ZINC001401823059 916617072 /nfs/dbraw/zinc/61/70/72/916617072.db2.gz ONSBLORYDOCSGT-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001401854837 916634664 /nfs/dbraw/zinc/63/46/64/916634664.db2.gz JMLOAVUPZTUAFA-GWCFXTLKSA-N 2 2 280.372 0.472 20 0 CCADLP C[NH+]1CC2(C1)CCN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001330735678 916824272 /nfs/dbraw/zinc/82/42/72/916824272.db2.gz RAMACXUQSKYZRV-UHFFFAOYSA-N 2 2 262.357 0.827 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCO)C2 ZINC001402402733 916999462 /nfs/dbraw/zinc/99/94/62/916999462.db2.gz IMWWJTMDZKGPGN-UBHSHLNASA-N 2 2 292.383 0.304 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2 ZINC001402402733 916999472 /nfs/dbraw/zinc/99/94/72/916999472.db2.gz IMWWJTMDZKGPGN-UBHSHLNASA-N 2 2 292.383 0.304 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCO)C2 ZINC001402402733 916999484 /nfs/dbraw/zinc/99/94/84/916999484.db2.gz IMWWJTMDZKGPGN-UBHSHLNASA-N 2 2 292.383 0.304 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2 ZINC001402402733 916999493 /nfs/dbraw/zinc/99/94/93/916999493.db2.gz IMWWJTMDZKGPGN-UBHSHLNASA-N 2 2 292.383 0.304 20 0 CCADLP CC(C)[NH+]1CC2(C1)CC[C@@H](CNC(=O)Cn1cc[nH+]c1)O2 ZINC001402704725 917180791 /nfs/dbraw/zinc/18/07/91/917180791.db2.gz UYHHZTARRHZEHD-ZDUSSCGKSA-N 2 2 292.383 0.641 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NCC2([NH+](C)C)CC2)no1 ZINC001331430495 917331806 /nfs/dbraw/zinc/33/18/06/917331806.db2.gz RTWWRUZTJSBTBX-UHFFFAOYSA-N 2 2 266.345 0.560 20 0 CCADLP COCC[N@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001402914639 917343147 /nfs/dbraw/zinc/34/31/47/917343147.db2.gz FNFKCUOAUURLDG-CYBMUJFWSA-N 2 2 280.372 0.521 20 0 CCADLP COCC[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001402914639 917343163 /nfs/dbraw/zinc/34/31/63/917343163.db2.gz FNFKCUOAUURLDG-CYBMUJFWSA-N 2 2 280.372 0.521 20 0 CCADLP O=C(NCC[C@@H]1CC[NH2+]C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001331466619 917350571 /nfs/dbraw/zinc/35/05/71/917350571.db2.gz QLNZZGLEJHNZAG-RYUDHWBXSA-N 2 2 262.357 0.561 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC1CCOCC1 ZINC001403071318 917456893 /nfs/dbraw/zinc/45/68/93/917456893.db2.gz OXLXREHHPPJLPC-NSHDSACASA-N 2 2 280.372 0.473 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC001403105069 917483576 /nfs/dbraw/zinc/48/35/76/917483576.db2.gz PFDVQYLRIKNAON-SNVBAGLBSA-N 2 2 282.392 0.049 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC001403105069 917483583 /nfs/dbraw/zinc/48/35/83/917483583.db2.gz PFDVQYLRIKNAON-SNVBAGLBSA-N 2 2 282.392 0.049 20 0 CCADLP C[C@H](CNC(=O)c1cccc2[nH+]ccn21)[N@H+](C)CCO ZINC001403145210 917528230 /nfs/dbraw/zinc/52/82/30/917528230.db2.gz RMVQWBIPGJRWEV-LLVKDONJSA-N 2 2 276.340 0.377 20 0 CCADLP C[C@H](CNC(=O)c1cccc2[nH+]ccn21)[N@@H+](C)CCO ZINC001403145210 917528241 /nfs/dbraw/zinc/52/82/41/917528241.db2.gz RMVQWBIPGJRWEV-LLVKDONJSA-N 2 2 276.340 0.377 20 0 CCADLP COC[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001403224557 917597227 /nfs/dbraw/zinc/59/72/27/917597227.db2.gz OZXKAIBPXYNKKL-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP COC[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001403224557 917597240 /nfs/dbraw/zinc/59/72/40/917597240.db2.gz OZXKAIBPXYNKKL-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP COC[C@H](C)[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001403224555 917599514 /nfs/dbraw/zinc/59/95/14/917599514.db2.gz OZXKAIBPXYNKKL-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP COC[C@H](C)[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001403224555 917599529 /nfs/dbraw/zinc/59/95/29/917599529.db2.gz OZXKAIBPXYNKKL-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP CC(C)C[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CCO)n1cc[nH+]c1 ZINC001403557187 917808824 /nfs/dbraw/zinc/80/88/24/917808824.db2.gz LRQYXWAIMDPWKO-KBPBESRZSA-N 2 2 296.415 0.899 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCCF)CN1C(=O)Cc1c[nH+]cn1C ZINC001332052288 917826853 /nfs/dbraw/zinc/82/68/53/917826853.db2.gz XZAASIBHDHWONJ-VXGBXAGGSA-N 2 2 282.363 0.901 20 0 CCADLP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1nncs1 ZINC001403574473 917827088 /nfs/dbraw/zinc/82/70/88/917827088.db2.gz HLWLNADVWGZHRT-WDEREUQCSA-N 2 2 297.428 0.569 20 0 CCADLP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1nncs1 ZINC001403574473 917827105 /nfs/dbraw/zinc/82/71/05/917827105.db2.gz HLWLNADVWGZHRT-WDEREUQCSA-N 2 2 297.428 0.569 20 0 CCADLP CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1nnc(C)[nH]1)[NH+](C)C ZINC001403628290 917859033 /nfs/dbraw/zinc/85/90/33/917859033.db2.gz JAGBRLUXBSGVTN-JQWIXIFHSA-N 2 2 296.419 0.390 20 0 CCADLP O=C(NC[C@H](CO)[NH2+]CCF)c1cc2c[nH+]ccc2[nH]1 ZINC001403691253 917932398 /nfs/dbraw/zinc/93/23/98/917932398.db2.gz YZSUSLYUXYRSHJ-SNVBAGLBSA-N 2 2 280.303 0.213 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001404538306 918386109 /nfs/dbraw/zinc/38/61/09/918386109.db2.gz BMPJXWPAJDTLNW-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001404538306 918386124 /nfs/dbraw/zinc/38/61/24/918386124.db2.gz BMPJXWPAJDTLNW-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP CC[C@@H](C(=O)NC1C[NH+]([C@@H](C)COC)C1)[NH+](CC)CC ZINC001404804902 918470852 /nfs/dbraw/zinc/47/08/52/918470852.db2.gz PTODUHDAWZEKSR-JSGCOSHPSA-N 2 2 285.432 0.942 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]Cc1ccns1 ZINC001405690527 918863663 /nfs/dbraw/zinc/86/36/63/918863663.db2.gz GCXLIUCMWFYBDO-JTQLQIEISA-N 2 2 293.396 0.951 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N(C)[C@@H](C)C[NH2+]Cc1cnon1 ZINC001405887471 918960281 /nfs/dbraw/zinc/96/02/81/918960281.db2.gz KCGXSOZHZCXBMN-JTQLQIEISA-N 2 2 292.343 0.211 20 0 CCADLP CCN(C(=O)NCCn1cc[nH+]c1)[C@@H]1CC[NH2+]C1 ZINC001333568263 919008133 /nfs/dbraw/zinc/00/81/33/919008133.db2.gz AJJHEQQRKLDPMZ-LLVKDONJSA-N 2 2 251.334 0.277 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001333597438 919031888 /nfs/dbraw/zinc/03/18/88/919031888.db2.gz AQPSHWMAYOOGLF-WCQYABFASA-N 2 2 263.345 0.504 20 0 CCADLP C[C@@H](c1nncn1C)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC001333685040 919098904 /nfs/dbraw/zinc/09/89/04/919098904.db2.gz KIJGWOYUNLFOHV-NSHDSACASA-N 2 2 267.377 0.265 20 0 CCADLP C[C@H](c1nncn1C)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC001333685038 919099026 /nfs/dbraw/zinc/09/90/26/919099026.db2.gz KIJGWOYUNLFOHV-LLVKDONJSA-N 2 2 267.377 0.265 20 0 CCADLP C[C@H](C[N@H+](C)Cc1ccn(C)n1)NC(=O)CC[NH+](C)C ZINC001406656224 919415479 /nfs/dbraw/zinc/41/54/79/919415479.db2.gz RSJGWKVCJGIDRC-GFCCVEGCSA-N 2 2 281.404 0.308 20 0 CCADLP C[C@H](C[N@@H+](C)Cc1ccn(C)n1)NC(=O)CC[NH+](C)C ZINC001406656224 919415488 /nfs/dbraw/zinc/41/54/88/919415488.db2.gz RSJGWKVCJGIDRC-GFCCVEGCSA-N 2 2 281.404 0.308 20 0 CCADLP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1Cc1cncs1 ZINC001406868938 919507893 /nfs/dbraw/zinc/50/78/93/919507893.db2.gz ULWVTVGVAJCXBH-LLVKDONJSA-N 2 2 282.413 0.785 20 0 CCADLP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1Cc1cncs1 ZINC001406868938 919507905 /nfs/dbraw/zinc/50/79/05/919507905.db2.gz ULWVTVGVAJCXBH-LLVKDONJSA-N 2 2 282.413 0.785 20 0 CCADLP CC[NH+]1CC(O)(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001407429734 919751619 /nfs/dbraw/zinc/75/16/19/919751619.db2.gz OUNMOIXVSIAKCK-UHFFFAOYSA-N 2 2 271.405 0.147 20 0 CCADLP CC(C)[N@@H+]1CCC[C@](CO)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001407633608 919839040 /nfs/dbraw/zinc/83/90/40/919839040.db2.gz CBKJIAZFZIJTHR-HNNXBMFYSA-N 2 2 294.399 0.694 20 0 CCADLP CC(C)[N@H+]1CCC[C@](CO)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001407633608 919839047 /nfs/dbraw/zinc/83/90/47/919839047.db2.gz CBKJIAZFZIJTHR-HNNXBMFYSA-N 2 2 294.399 0.694 20 0 CCADLP CC(C)[N@@H+]1CCC[C@](CO)(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001407633608 919839052 /nfs/dbraw/zinc/83/90/52/919839052.db2.gz CBKJIAZFZIJTHR-HNNXBMFYSA-N 2 2 294.399 0.694 20 0 CCADLP CC(C)[N@H+]1CCC[C@](CO)(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001407633608 919839059 /nfs/dbraw/zinc/83/90/59/919839059.db2.gz CBKJIAZFZIJTHR-HNNXBMFYSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCO1 ZINC001335307519 920109836 /nfs/dbraw/zinc/10/98/36/920109836.db2.gz FIVJJXDYERYJPR-CKYFFXLPSA-N 2 2 266.345 0.163 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCO1 ZINC001335307519 920109846 /nfs/dbraw/zinc/10/98/46/920109846.db2.gz FIVJJXDYERYJPR-CKYFFXLPSA-N 2 2 266.345 0.163 20 0 CCADLP CCOCCN(CC)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001335644735 920346235 /nfs/dbraw/zinc/34/62/35/920346235.db2.gz DEWPNVCXBWKQIB-UHFFFAOYSA-N 2 2 286.420 0.478 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC001336078356 920599422 /nfs/dbraw/zinc/59/94/22/920599422.db2.gz CVZKSXXVFRUXRZ-ZDUSSCGKSA-N 2 2 262.357 0.563 20 0 CCADLP CC(C)(CNc1nccnc1C[NH3+])[NH+]1CCOCC1 ZINC001336436766 920774044 /nfs/dbraw/zinc/77/40/44/920774044.db2.gz LJKBJEHNWHEDOP-UHFFFAOYSA-N 2 2 265.361 0.458 20 0 CCADLP C[C@@H]1CC[C@@H]1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336890448 921084742 /nfs/dbraw/zinc/08/47/42/921084742.db2.gz GKFOUJMWVGPQBK-PWSUYJOCSA-N 2 2 254.378 0.507 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NC[C@H]1CCC[N@@H+](CCO)C1 ZINC001418141918 921857309 /nfs/dbraw/zinc/85/73/09/921857309.db2.gz ZUWQLANLBIRSBZ-CQSZACIVSA-N 2 2 294.399 0.484 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NC[C@H]1CCC[N@H+](CCO)C1 ZINC001418141918 921857321 /nfs/dbraw/zinc/85/73/21/921857321.db2.gz ZUWQLANLBIRSBZ-CQSZACIVSA-N 2 2 294.399 0.484 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001418346727 922043234 /nfs/dbraw/zinc/04/32/34/922043234.db2.gz VQVGCEZYAVHTBH-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001418346727 922043246 /nfs/dbraw/zinc/04/32/46/922043246.db2.gz VQVGCEZYAVHTBH-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC001340512606 922104659 /nfs/dbraw/zinc/10/46/59/922104659.db2.gz CRZYKMDHGFMHML-DDHJBXDOSA-N 2 2 262.357 0.910 20 0 CCADLP COC[C@H](C)[N@H+](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001418497822 922181361 /nfs/dbraw/zinc/18/13/61/922181361.db2.gz CMLYXAGRUHIXPJ-OLZOCXBDSA-N 2 2 282.388 0.917 20 0 CCADLP COC[C@H](C)[N@@H+](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001418497822 922181373 /nfs/dbraw/zinc/18/13/73/922181373.db2.gz CMLYXAGRUHIXPJ-OLZOCXBDSA-N 2 2 282.388 0.917 20 0 CCADLP CO[C@@H]1CCC[C@H]1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001341057467 922328763 /nfs/dbraw/zinc/32/87/63/922328763.db2.gz VAWKLNTXFBDUOE-CHWSQXEVSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)c1csnn1 ZINC001418837220 922448857 /nfs/dbraw/zinc/44/88/57/922448857.db2.gz ZFKXBTKGFRCZMU-MNOVXSKESA-N 2 2 297.428 0.599 20 0 CCADLP C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)c1csnn1 ZINC001418837220 922448865 /nfs/dbraw/zinc/44/88/65/922448865.db2.gz ZFKXBTKGFRCZMU-MNOVXSKESA-N 2 2 297.428 0.599 20 0 CCADLP O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@@H]1CCc2c[nH+]cn2C1 ZINC001341420306 922476461 /nfs/dbraw/zinc/47/64/61/922476461.db2.gz WLFGKONYCRRVIU-LYIQGSDWSA-N 2 2 260.341 0.455 20 0 CCADLP [NH3+][C@H](CC(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21)C(F)F ZINC001341541868 922540554 /nfs/dbraw/zinc/54/05/54/922540554.db2.gz YLDNFJHTLFRZOH-IVZWLZJFSA-N 2 2 261.316 0.569 20 0 CCADLP CC1CC[NH+](CC(=O)NCC2C[NH+](CCF)C2)CC1 ZINC001419040484 922593427 /nfs/dbraw/zinc/59/34/27/922593427.db2.gz WGWJYIJKYWJFBC-UHFFFAOYSA-N 2 2 271.380 0.736 20 0 CCADLP [NH3+][C@H](Cc1ccccn1)C(=O)NCCCCn1cc[nH+]c1 ZINC001341658144 922610098 /nfs/dbraw/zinc/61/00/98/922610098.db2.gz FPDFKAVUCKEDDZ-CQSZACIVSA-N 2 2 287.367 0.745 20 0 CCADLP C[C@@H]1C[C@H](C)N(C(=O)C[C@H]([NH3+])C(F)F)C[C@@H]1C[NH3+] ZINC001341974551 922746075 /nfs/dbraw/zinc/74/60/75/922746075.db2.gz LHEHXIBIQHDCGZ-KATARQTJSA-N 2 2 263.332 0.801 20 0 CCADLP CC[C@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+][C@@H](C)COC ZINC001419285744 922749803 /nfs/dbraw/zinc/74/98/03/922749803.db2.gz ZPVKUYASGHMJPT-CMPLNLGQSA-N 2 2 282.388 0.780 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cnon2)C1 ZINC001419387413 922796566 /nfs/dbraw/zinc/79/65/66/922796566.db2.gz SMWLVQWRSLWMID-NSHDSACASA-N 2 2 281.360 0.102 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cnon2)C1 ZINC001419387413 922796577 /nfs/dbraw/zinc/79/65/77/922796577.db2.gz SMWLVQWRSLWMID-NSHDSACASA-N 2 2 281.360 0.102 20 0 CCADLP CC[C@@H](C[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1)OC ZINC001419429819 922825290 /nfs/dbraw/zinc/82/52/90/922825290.db2.gz KZXBXKUMRVZIFJ-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]([NH3+])C1CCC1 ZINC001342195473 922856328 /nfs/dbraw/zinc/85/63/28/922856328.db2.gz FAEJJRWTMXKZNW-AAEUAGOBSA-N 2 2 269.389 0.293 20 0 CCADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC001342302987 922902578 /nfs/dbraw/zinc/90/25/78/922902578.db2.gz JQHGEPFJKSTDRF-FYFCFCJWSA-N 2 2 295.427 0.577 20 0 CCADLP O=C(NCc1c[nH+]c2n1CCC2)C1C[NH+]([C@@H]2CCOC2)C1 ZINC001419539506 922902626 /nfs/dbraw/zinc/90/26/26/922902626.db2.gz QPFHCXQPZCDSLS-GFCCVEGCSA-N 2 2 290.367 0.166 20 0 CCADLP COCC[N@@H+]1CCCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001419624784 922950684 /nfs/dbraw/zinc/95/06/84/922950684.db2.gz WAJJNSIUSYDCLZ-ZDUSSCGKSA-N 2 2 294.399 0.580 20 0 CCADLP COCC[N@H+]1CCCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001419624784 922950701 /nfs/dbraw/zinc/95/07/01/922950701.db2.gz WAJJNSIUSYDCLZ-ZDUSSCGKSA-N 2 2 294.399 0.580 20 0 CCADLP [NH3+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001342737274 923075493 /nfs/dbraw/zinc/07/54/93/923075493.db2.gz DSRCOYKJAIBCKB-SDDRHHMPSA-N 2 2 262.357 0.689 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@H](C)[NH2+]C[C@H](C)O)c[nH+]1 ZINC001419777532 923091165 /nfs/dbraw/zinc/09/11/65/923091165.db2.gz STYBLQXLGUOPNT-JQWIXIFHSA-N 2 2 282.388 0.402 20 0 CCADLP CN(C(=O)Cc1c[nH+]cn1C)C1CC[NH+](C)CC1 ZINC001343005129 923161831 /nfs/dbraw/zinc/16/18/31/923161831.db2.gz OLCAAMUSIZJBJD-UHFFFAOYSA-N 2 2 250.346 0.515 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+]Cc1nccn1C ZINC001419921074 923164549 /nfs/dbraw/zinc/16/45/49/923164549.db2.gz KHTZVVBFYYKMJC-NSHDSACASA-N 2 2 290.371 0.220 20 0 CCADLP CN(CC[N@H+](C)CC[C@@H]1CCOC1)C(=O)Cn1cc[nH+]c1 ZINC001420061507 923274787 /nfs/dbraw/zinc/27/47/87/923274787.db2.gz WNANOFFLWWHWRS-CQSZACIVSA-N 2 2 294.399 0.700 20 0 CCADLP CN(CC[N@@H+](C)CC[C@@H]1CCOC1)C(=O)Cn1cc[nH+]c1 ZINC001420061507 923274801 /nfs/dbraw/zinc/27/48/01/923274801.db2.gz WNANOFFLWWHWRS-CQSZACIVSA-N 2 2 294.399 0.700 20 0 CCADLP C[C@@H]([NH3+])C1(C(=O)NCCCn2cc[nH+]c2)CCOCC1 ZINC001343340274 923277856 /nfs/dbraw/zinc/27/78/56/923277856.db2.gz PUKKFAFOUIUQEH-GFCCVEGCSA-N 2 2 280.372 0.533 20 0 CCADLP COCCC[NH+]1CCC(NC(=O)C[C@H]([NH3+])C(F)F)CC1 ZINC001343419609 923309422 /nfs/dbraw/zinc/30/94/22/923309422.db2.gz DUMIRYWMYHGAAS-NSHDSACASA-N 2 2 293.358 0.586 20 0 CCADLP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]CC[C@@H]1CCCO1 ZINC001420167957 923359276 /nfs/dbraw/zinc/35/92/76/923359276.db2.gz IQYXHELSDHRSTQ-KGLIPLIRSA-N 2 2 294.399 0.937 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC001343736454 923454550 /nfs/dbraw/zinc/45/45/50/923454550.db2.gz KASPUGBLSMKGTO-JBZXTQMFSA-N 2 2 295.427 0.721 20 0 CCADLP C[C@H]1C[C@H](C[N@H+](C)CCNC(=O)Cn2cc[nH+]c2)CCO1 ZINC001420360687 923576881 /nfs/dbraw/zinc/57/68/81/923576881.db2.gz AALWJDRBKCDYKH-UONOGXRCSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@H]1C[C@H](C[N@@H+](C)CCNC(=O)Cn2cc[nH+]c2)CCO1 ZINC001420360687 923576888 /nfs/dbraw/zinc/57/68/88/923576888.db2.gz AALWJDRBKCDYKH-UONOGXRCSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@H]1C[C@@H](C[N@H+](C)CCNC(=O)Cn2cc[nH+]c2)CCO1 ZINC001420360685 923578818 /nfs/dbraw/zinc/57/88/18/923578818.db2.gz AALWJDRBKCDYKH-KBPBESRZSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@H]1C[C@@H](C[N@@H+](C)CCNC(=O)Cn2cc[nH+]c2)CCO1 ZINC001420360685 923578828 /nfs/dbraw/zinc/57/88/28/923578828.db2.gz AALWJDRBKCDYKH-KBPBESRZSA-N 2 2 294.399 0.746 20 0 CCADLP CC[N@H+](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)C[C@H](C)O ZINC001420424318 923651086 /nfs/dbraw/zinc/65/10/86/923651086.db2.gz UOQOXYNZPMRCKY-OLZOCXBDSA-N 2 2 282.388 0.653 20 0 CCADLP CC[N@@H+](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)C[C@H](C)O ZINC001420424318 923651101 /nfs/dbraw/zinc/65/11/01/923651101.db2.gz UOQOXYNZPMRCKY-OLZOCXBDSA-N 2 2 282.388 0.653 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001420527493 923745281 /nfs/dbraw/zinc/74/52/81/923745281.db2.gz FRWSGDWBNRUDTF-RYUDHWBXSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001420527493 923745249 /nfs/dbraw/zinc/74/52/49/923745249.db2.gz FRWSGDWBNRUDTF-RYUDHWBXSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001420527493 923745260 /nfs/dbraw/zinc/74/52/60/923745260.db2.gz FRWSGDWBNRUDTF-RYUDHWBXSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001420527493 923745273 /nfs/dbraw/zinc/74/52/73/923745273.db2.gz FRWSGDWBNRUDTF-RYUDHWBXSA-N 2 2 280.372 0.161 20 0 CCADLP Cc1conc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001420663077 923860415 /nfs/dbraw/zinc/86/04/15/923860415.db2.gz SAUGHNFUNIIPBM-OLZOCXBDSA-N 2 2 294.399 0.871 20 0 CCADLP Cc1conc1C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001420663077 923860426 /nfs/dbraw/zinc/86/04/26/923860426.db2.gz SAUGHNFUNIIPBM-OLZOCXBDSA-N 2 2 294.399 0.871 20 0 CCADLP Cc1conc1C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001420663077 923860441 /nfs/dbraw/zinc/86/04/41/923860441.db2.gz SAUGHNFUNIIPBM-OLZOCXBDSA-N 2 2 294.399 0.871 20 0 CCADLP Cc1conc1C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001420663077 923860455 /nfs/dbraw/zinc/86/04/55/923860455.db2.gz SAUGHNFUNIIPBM-OLZOCXBDSA-N 2 2 294.399 0.871 20 0 CCADLP Cc1conc1C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001420663081 923861458 /nfs/dbraw/zinc/86/14/58/923861458.db2.gz SAUGHNFUNIIPBM-STQMWFEESA-N 2 2 294.399 0.871 20 0 CCADLP Cc1conc1C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001420663081 923861460 /nfs/dbraw/zinc/86/14/60/923861460.db2.gz SAUGHNFUNIIPBM-STQMWFEESA-N 2 2 294.399 0.871 20 0 CCADLP Cc1conc1C[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001420663081 923861464 /nfs/dbraw/zinc/86/14/64/923861464.db2.gz SAUGHNFUNIIPBM-STQMWFEESA-N 2 2 294.399 0.871 20 0 CCADLP Cc1conc1C[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001420663081 923861468 /nfs/dbraw/zinc/86/14/68/923861468.db2.gz SAUGHNFUNIIPBM-STQMWFEESA-N 2 2 294.399 0.871 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001345502877 923908650 /nfs/dbraw/zinc/90/86/50/923908650.db2.gz YAYMDYICONEDDW-PZWNZHSQSA-N 2 2 260.341 0.533 20 0 CCADLP O[C@H](C[NH2+][C@H]1CCn2cc[nH+]c2C1)Cn1cccn1 ZINC001345635321 923937738 /nfs/dbraw/zinc/93/77/38/923937738.db2.gz MJFQXDHYWCRGSQ-NWDGAFQWSA-N 2 2 261.329 0.045 20 0 CCADLP CC(C)OCC[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001420899058 924007375 /nfs/dbraw/zinc/00/73/75/924007375.db2.gz FVBFZLSWLKDKIU-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP CC(C)OCC[N@H+]1CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001420899058 924007384 /nfs/dbraw/zinc/00/73/84/924007384.db2.gz FVBFZLSWLKDKIU-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH+]2CC(CNC(=O)Cn3cc[nH+]c3)C2)O1 ZINC001421195529 924206703 /nfs/dbraw/zinc/20/67/03/924206703.db2.gz VXZLZCZKJQKSHK-OCCSQVGLSA-N 2 2 292.383 0.499 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CCCCC[NH3+] ZINC001346582060 924269131 /nfs/dbraw/zinc/26/91/31/924269131.db2.gz GBWJTXTUMFSOIV-CYBMUJFWSA-N 2 2 271.405 0.685 20 0 CCADLP CCC[N@H+](C)CC(=O)NCc1coc(C[NH+](C)C)n1 ZINC001350749590 925269409 /nfs/dbraw/zinc/26/94/09/925269409.db2.gz AGGFDTUIDGAAID-UHFFFAOYSA-N 2 2 268.361 0.694 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCc1coc(C[NH+](C)C)n1 ZINC001350749590 925269418 /nfs/dbraw/zinc/26/94/18/925269418.db2.gz AGGFDTUIDGAAID-UHFFFAOYSA-N 2 2 268.361 0.694 20 0 CCADLP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001480119483 925524462 /nfs/dbraw/zinc/52/44/62/925524462.db2.gz LGGLZYXYNDSEDZ-LBPRGKRZSA-N 2 2 295.387 0.410 20 0 CCADLP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001480119483 925524467 /nfs/dbraw/zinc/52/44/67/925524467.db2.gz LGGLZYXYNDSEDZ-LBPRGKRZSA-N 2 2 295.387 0.410 20 0 CCADLP C[C@@H](C[NH2+]C[C@@H](O)C1(O)CCC1)Cn1cc[nH+]c1 ZINC001353278513 925780600 /nfs/dbraw/zinc/78/06/00/925780600.db2.gz SHHXTTQGKSQJRM-NWDGAFQWSA-N 2 2 253.346 0.385 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001353623617 925887932 /nfs/dbraw/zinc/88/79/32/925887932.db2.gz SVXCTHVXBHPSDW-DDHJBXDOSA-N 2 2 262.357 0.910 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001353666928 925899834 /nfs/dbraw/zinc/89/98/34/925899834.db2.gz RDNQNJQLSKNAQP-JQWIXIFHSA-N 2 2 266.345 0.083 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001353666928 925899844 /nfs/dbraw/zinc/89/98/44/925899844.db2.gz RDNQNJQLSKNAQP-JQWIXIFHSA-N 2 2 266.345 0.083 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC12CC[NH+](CC1)C2 ZINC001354112424 926019971 /nfs/dbraw/zinc/01/99/71/926019971.db2.gz ZRRBZIQHYOYCAG-GHMZBOCLSA-N 2 2 260.341 0.488 20 0 CCADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@H]1CCCCC[NH2+]1 ZINC001355520469 926276302 /nfs/dbraw/zinc/27/63/02/926276302.db2.gz MTTQKMRYMMMNJG-YVARQFDVSA-N 2 2 281.400 0.523 20 0 CCADLP C[NH2+]C1CC(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC001357397935 926526205 /nfs/dbraw/zinc/52/62/05/926526205.db2.gz XHLLTKWMVGPVIM-ZSVAQUKISA-N 2 2 269.389 0.210 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C[C@H]([NH3+])C(F)F ZINC001357518152 926554317 /nfs/dbraw/zinc/55/43/17/926554317.db2.gz SXSPRGDVBHCQBY-KXUCPTDWSA-N 2 2 263.332 0.768 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)NCCC[C@H]2CCOC2)CC1 ZINC001357434446 926531518 /nfs/dbraw/zinc/53/15/18/926531518.db2.gz LAFGXSNCPGTOLJ-ZDUSSCGKSA-N 2 2 298.431 0.525 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC001357457021 926534047 /nfs/dbraw/zinc/53/40/47/926534047.db2.gz AIDSOFBMAWVXCT-AXFHLTTASA-N 2 2 250.346 0.845 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC001357457021 926534050 /nfs/dbraw/zinc/53/40/50/926534050.db2.gz AIDSOFBMAWVXCT-AXFHLTTASA-N 2 2 250.346 0.845 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCC1=CC[NH2+]CC1 ZINC001357465118 926537842 /nfs/dbraw/zinc/53/78/42/926537842.db2.gz YMRTUEBNNGNGRR-AWEZNQCLSA-N 2 2 296.415 0.316 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C[C@H]([NH3+])C(F)F ZINC001357518152 926554315 /nfs/dbraw/zinc/55/43/15/926554315.db2.gz SXSPRGDVBHCQBY-KXUCPTDWSA-N 2 2 263.332 0.768 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)N1CCn2c[nH+]cc2C1 ZINC001357560552 926561001 /nfs/dbraw/zinc/56/10/01/926561001.db2.gz PXPNHTKHUHKDIC-MNOVXSKESA-N 2 2 263.345 0.264 20 0 CCADLP CC(C)(C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1c[nH+]c[nH]1 ZINC001357874230 926607019 /nfs/dbraw/zinc/60/70/19/926607019.db2.gz SBLFQKNPOJVSCP-RKDXNWHRSA-N 2 2 254.309 0.585 20 0 CCADLP CC(C)[N@@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001421348030 926693039 /nfs/dbraw/zinc/69/30/39/926693039.db2.gz LSSOOXZSIFWYIE-CQSZACIVSA-N 2 2 280.372 0.304 20 0 CCADLP CC(C)[N@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001421348030 926693048 /nfs/dbraw/zinc/69/30/48/926693048.db2.gz LSSOOXZSIFWYIE-CQSZACIVSA-N 2 2 280.372 0.304 20 0 CCADLP CC(C)[N@@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001421348030 926693053 /nfs/dbraw/zinc/69/30/53/926693053.db2.gz LSSOOXZSIFWYIE-CQSZACIVSA-N 2 2 280.372 0.304 20 0 CCADLP CC(C)[N@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001421348030 926693059 /nfs/dbraw/zinc/69/30/59/926693059.db2.gz LSSOOXZSIFWYIE-CQSZACIVSA-N 2 2 280.372 0.304 20 0 CCADLP CC(C)CC[NH+]1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001421502718 926780375 /nfs/dbraw/zinc/78/03/75/926780375.db2.gz DVOUYLXRANTEIC-UHFFFAOYSA-N 2 2 283.416 0.291 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@@](C)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001421580617 926804676 /nfs/dbraw/zinc/80/46/76/926804676.db2.gz ZRWYXAXEJVJFFT-IAQYHMDHSA-N 2 2 294.399 0.862 20 0 CCADLP C[C@@H](O)C[NH2+]C1(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CCC1 ZINC001421782309 926907716 /nfs/dbraw/zinc/90/77/16/926907716.db2.gz XBRLPDMGXFZHFG-CHWSQXEVSA-N 2 2 294.399 0.844 20 0 CCADLP CN(CC[N@H+](C)CCOC1CCC1)C(=O)Cn1cc[nH+]c1 ZINC001422247250 927170799 /nfs/dbraw/zinc/17/07/99/927170799.db2.gz LLRSOMWXTKEKAZ-UHFFFAOYSA-N 2 2 294.399 0.842 20 0 CCADLP CN(CC[N@@H+](C)CCOC1CCC1)C(=O)Cn1cc[nH+]c1 ZINC001422247250 927170813 /nfs/dbraw/zinc/17/08/13/927170813.db2.gz LLRSOMWXTKEKAZ-UHFFFAOYSA-N 2 2 294.399 0.842 20 0 CCADLP CC(C)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001422347363 927236533 /nfs/dbraw/zinc/23/65/33/927236533.db2.gz LIWBIMXOYHLMML-OLZOCXBDSA-N 2 2 294.399 0.168 20 0 CCADLP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1cnsn1 ZINC001422444651 927284110 /nfs/dbraw/zinc/28/41/10/927284110.db2.gz VDOBYDXMFOWPDV-QWRGUYRKSA-N 2 2 297.428 0.617 20 0 CCADLP COC[C@H](C)[NH2+]C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001422531955 927350091 /nfs/dbraw/zinc/35/00/91/927350091.db2.gz PSLCSNYZLPRQPW-NEPJUHHUSA-N 2 2 282.388 0.482 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001362013764 927522048 /nfs/dbraw/zinc/52/20/48/927522048.db2.gz CLWXKZVSDBRUSV-UONOGXRCSA-N 2 2 281.400 0.404 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001362013764 927522059 /nfs/dbraw/zinc/52/20/59/927522059.db2.gz CLWXKZVSDBRUSV-UONOGXRCSA-N 2 2 281.400 0.404 20 0 CCADLP C[C@H](NC(=O)CC[N@@H+]1CC[C@@H](F)C1)[C@@H]1C[NH+](C)CCO1 ZINC001362226727 927747552 /nfs/dbraw/zinc/74/75/52/927747552.db2.gz GIFNCNHCYLFVCJ-XQQFMLRXSA-N 2 2 287.379 0.256 20 0 CCADLP C[C@H](NC(=O)CC[N@H+]1CC[C@@H](F)C1)[C@@H]1C[NH+](C)CCO1 ZINC001362226727 927747567 /nfs/dbraw/zinc/74/75/67/927747567.db2.gz GIFNCNHCYLFVCJ-XQQFMLRXSA-N 2 2 287.379 0.256 20 0 CCADLP C[C@H](NC(=O)CC[NH+]1CC[C@@H](F)C1)[C@@H]1C[N@H+](C)CCO1 ZINC001362226727 927747580 /nfs/dbraw/zinc/74/75/80/927747580.db2.gz GIFNCNHCYLFVCJ-XQQFMLRXSA-N 2 2 287.379 0.256 20 0 CCADLP C[C@H](NC(=O)CC[NH+]1CC[C@@H](F)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC001362226727 927747589 /nfs/dbraw/zinc/74/75/89/927747589.db2.gz GIFNCNHCYLFVCJ-XQQFMLRXSA-N 2 2 287.379 0.256 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001424127143 928106132 /nfs/dbraw/zinc/10/61/32/928106132.db2.gz UHZOYTYBYZTGTO-LSDHHAIUSA-N 2 2 297.443 0.945 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001424127143 928106135 /nfs/dbraw/zinc/10/61/35/928106135.db2.gz UHZOYTYBYZTGTO-LSDHHAIUSA-N 2 2 297.443 0.945 20 0 CCADLP CCCC[NH+]1CCOC[C@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001424127143 928106143 /nfs/dbraw/zinc/10/61/43/928106143.db2.gz UHZOYTYBYZTGTO-LSDHHAIUSA-N 2 2 297.443 0.945 20 0 CCADLP CCCC[NH+]1CCOC[C@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001424127143 928106149 /nfs/dbraw/zinc/10/61/49/928106149.db2.gz UHZOYTYBYZTGTO-LSDHHAIUSA-N 2 2 297.443 0.945 20 0 CCADLP C[N@H+](CCCO)C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001424702512 928258027 /nfs/dbraw/zinc/25/80/27/928258027.db2.gz JWLGGAHIHFJEGP-ZDUSSCGKSA-N 2 2 280.372 0.257 20 0 CCADLP C[N@@H+](CCCO)C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001424702512 928258044 /nfs/dbraw/zinc/25/80/44/928258044.db2.gz JWLGGAHIHFJEGP-ZDUSSCGKSA-N 2 2 280.372 0.257 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[N@H+](C)CCF ZINC001424964736 928370857 /nfs/dbraw/zinc/37/08/57/928370857.db2.gz COAWWEBWEMNXLM-RYUDHWBXSA-N 2 2 282.363 0.852 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[N@@H+](C)CCF ZINC001424964736 928370869 /nfs/dbraw/zinc/37/08/69/928370869.db2.gz COAWWEBWEMNXLM-RYUDHWBXSA-N 2 2 282.363 0.852 20 0 CCADLP C[C@@H](CC(=O)NC[C@H](C)[N@H+](C)CCCO)n1cc[nH+]c1 ZINC001425032600 928406619 /nfs/dbraw/zinc/40/66/19/928406619.db2.gz XVPMPMTVVFHGIO-STQMWFEESA-N 2 2 282.388 0.653 20 0 CCADLP C[C@@H](CC(=O)NC[C@H](C)[N@@H+](C)CCCO)n1cc[nH+]c1 ZINC001425032600 928406624 /nfs/dbraw/zinc/40/66/24/928406624.db2.gz XVPMPMTVVFHGIO-STQMWFEESA-N 2 2 282.388 0.653 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)CC[C@H]1CCCO1 ZINC001425056222 928418088 /nfs/dbraw/zinc/41/80/88/928418088.db2.gz PHDKMUBZDGXPTO-QWHCGFSZSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)CC[C@H]1CCCO1 ZINC001425056222 928418098 /nfs/dbraw/zinc/41/80/98/928418098.db2.gz PHDKMUBZDGXPTO-QWHCGFSZSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)C1 ZINC001362743658 928432774 /nfs/dbraw/zinc/43/27/74/928432774.db2.gz YVNWQMRNCYETND-YPMHNXCESA-N 2 2 277.372 0.224 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)C1 ZINC001362743658 928432778 /nfs/dbraw/zinc/43/27/78/928432778.db2.gz YVNWQMRNCYETND-YPMHNXCESA-N 2 2 277.372 0.224 20 0 CCADLP CC(C)[NH+]1CC(CCO)(NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001425108117 928436704 /nfs/dbraw/zinc/43/67/04/928436704.db2.gz HELOZLOOMDUHJB-CYBMUJFWSA-N 2 2 283.416 0.432 20 0 CCADLP CC(C)[NH+]1CC(CCO)(NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001425108117 928436714 /nfs/dbraw/zinc/43/67/14/928436714.db2.gz HELOZLOOMDUHJB-CYBMUJFWSA-N 2 2 283.416 0.432 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001425115277 928440255 /nfs/dbraw/zinc/44/02/55/928440255.db2.gz VEPMZYGDVVHGOL-KBPBESRZSA-N 2 2 295.427 0.576 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001425115277 928440261 /nfs/dbraw/zinc/44/02/61/928440261.db2.gz VEPMZYGDVVHGOL-KBPBESRZSA-N 2 2 295.427 0.576 20 0 CCADLP C[C@@H](O)C[NH+]1CC([C@@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001425243113 928474714 /nfs/dbraw/zinc/47/47/14/928474714.db2.gz RRBINAAJNVFNJC-VXGBXAGGSA-N 2 2 280.372 0.091 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001362830500 928544848 /nfs/dbraw/zinc/54/48/48/928544848.db2.gz OISCHXCQMJVADP-QWHCGFSZSA-N 2 2 292.383 0.020 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001362830500 928544855 /nfs/dbraw/zinc/54/48/55/928544855.db2.gz OISCHXCQMJVADP-QWHCGFSZSA-N 2 2 292.383 0.020 20 0 CCADLP CC(C)[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]C[C@H](C)O ZINC001425465290 928554220 /nfs/dbraw/zinc/55/42/20/928554220.db2.gz JIYHVDUVCJAGIN-NWDGAFQWSA-N 2 2 282.388 0.454 20 0 CCADLP COC[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001425611850 928606041 /nfs/dbraw/zinc/60/60/41/928606041.db2.gz SQFJVHJLCKVQLG-STQMWFEESA-N 2 2 296.415 0.824 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@]12CCC[C@@H]1[N@H+](CCO)CC2 ZINC001425910176 928704398 /nfs/dbraw/zinc/70/43/98/928704398.db2.gz NNAOVEORTHLOBE-DZGCQCFKSA-N 2 2 292.383 0.379 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@]12CCC[C@@H]1[N@@H+](CCO)CC2 ZINC001425910176 928704402 /nfs/dbraw/zinc/70/44/02/928704402.db2.gz NNAOVEORTHLOBE-DZGCQCFKSA-N 2 2 292.383 0.379 20 0 CCADLP CC(C)N(CC[N@@H+](C)C[C@H](C)O)C(=O)Cc1[nH]cc[nH+]1 ZINC001426113133 928767435 /nfs/dbraw/zinc/76/74/35/928767435.db2.gz HABMYTHNVRSBIO-LBPRGKRZSA-N 2 2 282.388 0.502 20 0 CCADLP CC(C)N(CC[N@H+](C)C[C@H](C)O)C(=O)Cc1[nH]cc[nH+]1 ZINC001426113133 928767438 /nfs/dbraw/zinc/76/74/38/928767438.db2.gz HABMYTHNVRSBIO-LBPRGKRZSA-N 2 2 282.388 0.502 20 0 CCADLP COC[C@H](C)[NH2+]C1CC(N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001426232161 928795337 /nfs/dbraw/zinc/79/53/37/928795337.db2.gz OLKINNVFLTUJHW-UNXYVOJBSA-N 2 2 280.372 0.566 20 0 CCADLP C[NH+](C)C[C@]1(O)CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001363517205 929320183 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/nfs/dbraw/zinc/07/23/47/931072347.db2.gz RCBMTAVAYFSSRM-CQSZACIVSA-N 2 2 294.374 0.863 20 0 CCADLP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001376154551 931072352 /nfs/dbraw/zinc/07/23/52/931072352.db2.gz RCBMTAVAYFSSRM-CQSZACIVSA-N 2 2 294.374 0.863 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)CNC(=O)C[C@H]2CC[N@H+](C)C2)o1 ZINC001376851703 931304059 /nfs/dbraw/zinc/30/40/59/931304059.db2.gz DWGWCEFZLKSZKT-ZYHUDNBSSA-N 2 2 295.387 0.314 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)CNC(=O)C[C@H]2CC[N@@H+](C)C2)o1 ZINC001376851703 931304062 /nfs/dbraw/zinc/30/40/62/931304062.db2.gz DWGWCEFZLKSZKT-ZYHUDNBSSA-N 2 2 295.387 0.314 20 0 CCADLP C[C@@H](O)C[N@H+](C)CCCN(C)C(=O)CCc1c[nH+]cn1C ZINC001377011864 931354495 /nfs/dbraw/zinc/35/44/95/931354495.db2.gz TYOLDOBCJJHETI-CYBMUJFWSA-N 2 2 296.415 0.514 20 0 CCADLP C[C@@H](O)C[N@@H+](C)CCCN(C)C(=O)CCc1c[nH+]cn1C ZINC001377011864 931354503 /nfs/dbraw/zinc/35/45/03/931354503.db2.gz TYOLDOBCJJHETI-CYBMUJFWSA-N 2 2 296.415 0.514 20 0 CCADLP C[C@H](CCNC(=O)CCc1[nH+]ccn1C)[NH2+]C[C@H](C)O ZINC001377061902 931372119 /nfs/dbraw/zinc/37/21/19/931372119.db2.gz REHBZTFTRQXMKZ-NEPJUHHUSA-N 2 2 282.388 0.218 20 0 CCADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)CO2 ZINC001377087863 931378696 /nfs/dbraw/zinc/37/86/96/931378696.db2.gz NOTHXXBHNMPTKQ-GFCCVEGCSA-N 2 2 281.400 0.308 20 0 CCADLP Cc1ncc(C[NH+](C)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)o1 ZINC001377161301 931413017 /nfs/dbraw/zinc/41/30/17/931413017.db2.gz NAKVKQHIBCSLCZ-BXUZGUMPSA-N 2 2 294.399 0.871 20 0 CCADLP Cc1ncc(C[NH+](C)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)o1 ZINC001377161301 931413020 /nfs/dbraw/zinc/41/30/20/931413020.db2.gz NAKVKQHIBCSLCZ-BXUZGUMPSA-N 2 2 294.399 0.871 20 0 CCADLP Cc1ncc(C[N@@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)o1 ZINC001377161301 931413022 /nfs/dbraw/zinc/41/30/22/931413022.db2.gz NAKVKQHIBCSLCZ-BXUZGUMPSA-N 2 2 294.399 0.871 20 0 CCADLP Cc1ncc(C[N@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)o1 ZINC001377161301 931413025 /nfs/dbraw/zinc/41/30/25/931413025.db2.gz NAKVKQHIBCSLCZ-BXUZGUMPSA-N 2 2 294.399 0.871 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124373369 187135185 /nfs/dbraw/zinc/13/51/85/187135185.db2.gz LTBHDPJFLBEDJM-SNVBAGLBSA-N 2 2 267.333 0.049 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124373369 187135186 /nfs/dbraw/zinc/13/51/86/187135186.db2.gz LTBHDPJFLBEDJM-SNVBAGLBSA-N 2 2 267.333 0.049 20 0 CCADLP CC[N@@H+]1CCCN([C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000091510355 349465380 /nfs/dbraw/zinc/46/53/80/349465380.db2.gz BBHTVVQIPLBKAS-AWEZNQCLSA-N 2 2 255.406 0.735 20 0 CCADLP CC[N@H+]1CCCN([C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000091510355 349465381 /nfs/dbraw/zinc/46/53/81/349465381.db2.gz BBHTVVQIPLBKAS-AWEZNQCLSA-N 2 2 255.406 0.735 20 0 CCADLP C[NH+]1CCC([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000091662322 349471732 /nfs/dbraw/zinc/47/17/32/349471732.db2.gz VHSCJCDUMUFCFH-ZIAGYGMSSA-N 3 2 253.390 0.533 20 0 CCADLP C[NH+]1CCC([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000091662322 349471735 /nfs/dbraw/zinc/47/17/35/349471735.db2.gz VHSCJCDUMUFCFH-ZIAGYGMSSA-N 3 2 253.390 0.533 20 0 CCADLP C[NH+](C)CCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000377336514 282088916 /nfs/dbraw/zinc/08/89/16/282088916.db2.gz WMFZAKJILMVGFQ-LBPRGKRZSA-N 2 2 276.384 0.998 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@@H](C)[NH2+]C2CC2)C[C@H]1[NH+]1CCOCC1 ZINC000449143628 529374516 /nfs/dbraw/zinc/37/45/16/529374516.db2.gz WYVWPDLDKJYMPH-UMVBOHGHSA-N 2 2 295.427 0.696 20 0 CCADLP COC(=O)[C@]1(OC)CC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000599559739 361740459 /nfs/dbraw/zinc/74/04/59/361740459.db2.gz YSPFKFSFTYEYEK-AWEZNQCLSA-N 2 2 281.356 0.617 20 0 CCADLP COC(=O)[C@]1(OC)CC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000599559739 361740462 /nfs/dbraw/zinc/74/04/62/361740462.db2.gz YSPFKFSFTYEYEK-AWEZNQCLSA-N 2 2 281.356 0.617 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000337574113 214163719 /nfs/dbraw/zinc/16/37/19/214163719.db2.gz FEZJIRXXAJIROR-AWEZNQCLSA-N 2 2 276.384 0.896 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000337574113 214163721 /nfs/dbraw/zinc/16/37/21/214163721.db2.gz FEZJIRXXAJIROR-AWEZNQCLSA-N 2 2 276.384 0.896 20 0 CCADLP C[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000093168586 349527985 /nfs/dbraw/zinc/52/79/85/349527985.db2.gz JCVDTHCMONVKGN-CYBMUJFWSA-N 2 2 253.390 0.882 20 0 CCADLP C[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000093168586 349527991 /nfs/dbraw/zinc/52/79/91/349527991.db2.gz JCVDTHCMONVKGN-CYBMUJFWSA-N 2 2 253.390 0.882 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H](CO)C(C)(C)C ZINC000093203320 349530941 /nfs/dbraw/zinc/53/09/41/349530941.db2.gz PMIUIIXAJFWOKC-LBPRGKRZSA-N 2 2 271.405 0.099 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H](CO)C(C)(C)C ZINC000093203320 349530944 /nfs/dbraw/zinc/53/09/44/349530944.db2.gz PMIUIIXAJFWOKC-LBPRGKRZSA-N 2 2 271.405 0.099 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617507186 365663431 /nfs/dbraw/zinc/66/34/31/365663431.db2.gz LXGBYONKBNFAMQ-LBPRGKRZSA-N 3 2 295.431 0.649 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617507186 365663436 /nfs/dbraw/zinc/66/34/36/365663436.db2.gz LXGBYONKBNFAMQ-LBPRGKRZSA-N 3 2 295.431 0.649 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617507186 365663442 /nfs/dbraw/zinc/66/34/42/365663442.db2.gz LXGBYONKBNFAMQ-LBPRGKRZSA-N 3 2 295.431 0.649 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617507186 365663448 /nfs/dbraw/zinc/66/34/48/365663448.db2.gz LXGBYONKBNFAMQ-LBPRGKRZSA-N 3 2 295.431 0.649 20 0 CCADLP O[C@@H](C[NH2+]CCCNc1cccc[nH+]1)Cn1cccn1 ZINC000573358219 334931058 /nfs/dbraw/zinc/93/10/58/334931058.db2.gz GTGDIDZXGNHFDW-ZDUSSCGKSA-N 2 2 275.356 0.731 20 0 CCADLP Cc1cc(NC(=O)C[NH+]2CCC(OCCC[NH3+])CC2)no1 ZINC000094072037 349559936 /nfs/dbraw/zinc/55/99/36/349559936.db2.gz HRFAYQXRLLCYFO-UHFFFAOYSA-N 2 2 296.371 0.751 20 0 CCADLP COC(=O)[C@@]1(OC)CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000600189992 361884922 /nfs/dbraw/zinc/88/49/22/361884922.db2.gz JCZAJHPCYVVEHK-CQSZACIVSA-N 2 2 279.340 0.593 20 0 CCADLP COC(=O)[C@@]1(OC)CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000600189992 361884924 /nfs/dbraw/zinc/88/49/24/361884924.db2.gz JCZAJHPCYVVEHK-CQSZACIVSA-N 2 2 279.340 0.593 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000418704224 529445682 /nfs/dbraw/zinc/44/56/82/529445682.db2.gz COBLLJJOZTWMSN-ZDUSSCGKSA-N 2 2 291.399 0.959 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)NCCCn1cc[nH+]c1 ZINC000101971772 349673630 /nfs/dbraw/zinc/67/36/30/349673630.db2.gz SZTBDQLQPSKHPA-UHFFFAOYSA-N 2 2 267.377 0.913 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)NCCCn1cc[nH+]c1 ZINC000101971772 349673632 /nfs/dbraw/zinc/67/36/32/349673632.db2.gz SZTBDQLQPSKHPA-UHFFFAOYSA-N 2 2 267.377 0.913 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@H]3CSC[NH2+]3)CC2)cc[nH+]1 ZINC000423787839 282186579 /nfs/dbraw/zinc/18/65/79/282186579.db2.gz VPQHNQYWGWOCIA-LLVKDONJSA-N 2 2 293.396 0.096 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000417017676 529562662 /nfs/dbraw/zinc/56/26/62/529562662.db2.gz OZJXJWZMATYMFU-LLVKDONJSA-N 2 2 265.361 0.684 20 0 CCADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)NCCc1ccc(F)cc1 ZINC000107574067 349738919 /nfs/dbraw/zinc/73/89/19/349738919.db2.gz GRGYPRDIFORYPL-ZIAGYGMSSA-N 2 2 291.370 0.636 20 0 CCADLP C[C@H](C(=O)NC1CCCCC1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107855421 349741715 /nfs/dbraw/zinc/74/17/15/349741715.db2.gz RPBHPHPZHQWEHB-JHJVBQTASA-N 2 2 265.401 0.975 20 0 CCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000106546028 349731323 /nfs/dbraw/zinc/73/13/23/349731323.db2.gz USIFPGDAUVKEBG-UONOGXRCSA-N 2 2 297.447 0.016 20 0 CCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000106546028 349731325 /nfs/dbraw/zinc/73/13/25/349731325.db2.gz USIFPGDAUVKEBG-UONOGXRCSA-N 2 2 297.447 0.016 20 0 CCADLP Cc1[nH+]ccn1CCCN(C)C(=O)[C@@H]1COCC[NH2+]1 ZINC000424177793 282203894 /nfs/dbraw/zinc/20/38/94/282203894.db2.gz VHAGFURTRFMVSB-LBPRGKRZSA-N 2 2 266.345 0.028 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000108553277 349749916 /nfs/dbraw/zinc/74/99/16/349749916.db2.gz IECJWVZPXSQNLL-KGLIPLIRSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000108553277 349749917 /nfs/dbraw/zinc/74/99/17/349749917.db2.gz IECJWVZPXSQNLL-KGLIPLIRSA-N 2 2 298.431 0.348 20 0 CCADLP COC(=O)c1cnc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cn1 ZINC000600706998 362039508 /nfs/dbraw/zinc/03/95/08/362039508.db2.gz WHOWNYQUQRKHQS-WDEREUQCSA-N 2 2 278.356 0.822 20 0 CCADLP COC(=O)c1cnc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cn1 ZINC000600706998 362039512 /nfs/dbraw/zinc/03/95/12/362039512.db2.gz WHOWNYQUQRKHQS-WDEREUQCSA-N 2 2 278.356 0.822 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600748442 362054833 /nfs/dbraw/zinc/05/48/33/362054833.db2.gz MWHKMZTUHHPTSU-TUKIKUTGSA-N 2 2 296.415 0.541 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600748442 362054840 /nfs/dbraw/zinc/05/48/40/362054840.db2.gz MWHKMZTUHHPTSU-TUKIKUTGSA-N 2 2 296.415 0.541 20 0 CCADLP CC(C)OC(=O)c1cn(CC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000600976084 362111663 /nfs/dbraw/zinc/11/16/63/362111663.db2.gz ITYYYJNHYMGLAR-UHFFFAOYSA-N 2 2 297.403 0.727 20 0 CCADLP CC(C)OC(=O)c1cn(CC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000600976084 362111665 /nfs/dbraw/zinc/11/16/65/362111665.db2.gz ITYYYJNHYMGLAR-UHFFFAOYSA-N 2 2 297.403 0.727 20 0 CCADLP C[NH+]1CCN(CC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000600997161 362122709 /nfs/dbraw/zinc/12/27/09/362122709.db2.gz VQRIRBZDAKCZTJ-AWEZNQCLSA-N 2 2 291.399 0.294 20 0 CCADLP CC1CC[NH+](CC(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)CC1 ZINC000617731253 365740470 /nfs/dbraw/zinc/74/04/70/365740470.db2.gz XLXDKLIIRGCSRS-GJZGRUSLSA-N 2 2 297.443 0.944 20 0 CCADLP CC1CC[NH+](CC(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)CC1 ZINC000617731253 365740475 /nfs/dbraw/zinc/74/04/75/365740475.db2.gz XLXDKLIIRGCSRS-GJZGRUSLSA-N 2 2 297.443 0.944 20 0 CCADLP CCOC(=O)C1(C)CC([NH2+]CC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000601284160 362202717 /nfs/dbraw/zinc/20/27/17/362202717.db2.gz FOIYMTBLAUKPJQ-MBHSVXNSSA-N 2 2 270.373 0.374 20 0 CCADLP CCOC(=O)C1(C)CC([NH2+]CC[N@H+]2CC[C@@H](O)C2)C1 ZINC000601284160 362202724 /nfs/dbraw/zinc/20/27/24/362202724.db2.gz FOIYMTBLAUKPJQ-MBHSVXNSSA-N 2 2 270.373 0.374 20 0 CCADLP C[C@@H](CCNC(=O)[C@H](c1c[nH+]cn1C)N(C)C)[NH+](C)C ZINC000617757848 365760923 /nfs/dbraw/zinc/76/09/23/365760923.db2.gz CCCHIPUFYCUETJ-AAEUAGOBSA-N 2 2 281.404 0.479 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@]1(C)CCOC1 ZINC000617764721 365768187 /nfs/dbraw/zinc/76/81/87/365768187.db2.gz DCQVCYGVTAHVND-CQSZACIVSA-N 2 2 271.405 0.413 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@]1(C)CCOC1 ZINC000617764721 365768192 /nfs/dbraw/zinc/76/81/92/365768192.db2.gz DCQVCYGVTAHVND-CQSZACIVSA-N 2 2 271.405 0.413 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(O)CCCCC1 ZINC000617765673 365770981 /nfs/dbraw/zinc/77/09/81/365770981.db2.gz LLQXHLOKEIUZFZ-UHFFFAOYSA-N 2 2 285.432 0.681 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(O)CCCCC1 ZINC000617765673 365770986 /nfs/dbraw/zinc/77/09/86/365770986.db2.gz LLQXHLOKEIUZFZ-UHFFFAOYSA-N 2 2 285.432 0.681 20 0 CCADLP Cc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc(=O)[nH]1 ZINC000617765209 365771564 /nfs/dbraw/zinc/77/15/64/365771564.db2.gz XEWCTXQKUJFALR-UHFFFAOYSA-N 2 2 294.399 0.709 20 0 CCADLP Cc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc(=O)[nH]1 ZINC000617765209 365771570 /nfs/dbraw/zinc/77/15/70/365771570.db2.gz XEWCTXQKUJFALR-UHFFFAOYSA-N 2 2 294.399 0.709 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCCOC1 ZINC000617766290 365771591 /nfs/dbraw/zinc/77/15/91/365771591.db2.gz FEVMTYKFQYOPIJ-CYBMUJFWSA-N 2 2 271.405 0.413 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCCOC1 ZINC000617766290 365771594 /nfs/dbraw/zinc/77/15/94/365771594.db2.gz FEVMTYKFQYOPIJ-CYBMUJFWSA-N 2 2 271.405 0.413 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@H](CO)C2)n1C ZINC000425324225 529807652 /nfs/dbraw/zinc/80/76/52/529807652.db2.gz LYBVAOUCZFRJMZ-NSHDSACASA-N 2 2 252.362 0.690 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@H](CO)C2)n1C ZINC000425324225 529807654 /nfs/dbraw/zinc/80/76/54/529807654.db2.gz LYBVAOUCZFRJMZ-NSHDSACASA-N 2 2 252.362 0.690 20 0 CCADLP Cc1cc(CC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[nH]n1 ZINC000126969897 187273935 /nfs/dbraw/zinc/27/39/35/187273935.db2.gz WRACLXMAYXKNRW-UHFFFAOYSA-N 2 2 293.415 0.403 20 0 CCADLP Cc1cc(CC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)n[nH]1 ZINC000126969897 187273936 /nfs/dbraw/zinc/27/39/36/187273936.db2.gz WRACLXMAYXKNRW-UHFFFAOYSA-N 2 2 293.415 0.403 20 0 CCADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000449118169 530042419 /nfs/dbraw/zinc/04/24/19/530042419.db2.gz RIMDRDLXGHSDHW-STQMWFEESA-N 2 2 285.432 0.848 20 0 CCADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000449118169 530042420 /nfs/dbraw/zinc/04/24/20/530042420.db2.gz RIMDRDLXGHSDHW-STQMWFEESA-N 2 2 285.432 0.848 20 0 CCADLP C[N@@H+]1CCN(C(=O)/C=C/c2cccc(F)c2)[C@H](C[NH3+])C1 ZINC000493050553 530066098 /nfs/dbraw/zinc/06/60/98/530066098.db2.gz NWCYHBAUEHLWJE-VBROQKIQSA-N 2 2 277.343 0.940 20 0 CCADLP C[N@H+]1CCN(C(=O)/C=C/c2cccc(F)c2)[C@H](C[NH3+])C1 ZINC000493050553 530066099 /nfs/dbraw/zinc/06/60/99/530066099.db2.gz NWCYHBAUEHLWJE-VBROQKIQSA-N 2 2 277.343 0.940 20 0 CCADLP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]2[NH3+])([NH+]2CCCCC2)CC1 ZINC000424161790 530049475 /nfs/dbraw/zinc/04/94/75/530049475.db2.gz YSTLQVLXHWZULN-KGLIPLIRSA-N 3 2 294.443 0.400 20 0 CCADLP C[C@@H](CNC(=O)C[NH+]1CC(C)(C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655241794 412517903 /nfs/dbraw/zinc/51/79/03/412517903.db2.gz QXUZJORNLWRTIA-MELADBBJSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@@H](CNC(=O)C[NH+]1CC(C)(C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655241794 412517905 /nfs/dbraw/zinc/51/79/05/412517905.db2.gz QXUZJORNLWRTIA-MELADBBJSA-N 2 2 297.443 0.942 20 0 CCADLP Cc1nc(NC[C@]2(O)CC[N@@H+](C)C2)c2c([nH+]1)CCCC2 ZINC000358311827 232079988 /nfs/dbraw/zinc/07/99/88/232079988.db2.gz SJJIUQNKYITXLG-OAHLLOKOSA-N 2 2 276.384 0.564 20 0 CCADLP Cc1nc(NC[C@]2(O)CC[N@H+](C)C2)c2c([nH+]1)CCCC2 ZINC000358311827 232079992 /nfs/dbraw/zinc/07/99/92/232079992.db2.gz SJJIUQNKYITXLG-OAHLLOKOSA-N 2 2 276.384 0.564 20 0 CCADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000655246833 412521498 /nfs/dbraw/zinc/52/14/98/412521498.db2.gz NCLZWYJLJBYRIZ-RWMBFGLXSA-N 2 2 276.384 0.902 20 0 CCADLP CCOC(=O)C[N@@H+]1CCCN(C(=O)CCC2C[NH2+]C2)CC1 ZINC000602498649 362645054 /nfs/dbraw/zinc/64/50/54/362645054.db2.gz CRFKIHVLRWBUJN-UHFFFAOYSA-N 2 2 297.399 0.083 20 0 CCADLP CCOC(=O)C[N@H+]1CCCN(C(=O)CCC2C[NH2+]C2)CC1 ZINC000602498649 362645059 /nfs/dbraw/zinc/64/50/59/362645059.db2.gz CRFKIHVLRWBUJN-UHFFFAOYSA-N 2 2 297.399 0.083 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCOC[C@@H]2C2CC2)C1 ZINC000367346309 232314940 /nfs/dbraw/zinc/31/49/40/232314940.db2.gz JBYFXJOFPRZMMB-UKRRQHHQSA-N 2 2 295.427 0.507 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCOC[C@@H]2C2CC2)C1 ZINC000367346309 232314942 /nfs/dbraw/zinc/31/49/42/232314942.db2.gz JBYFXJOFPRZMMB-UKRRQHHQSA-N 2 2 295.427 0.507 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000532784217 290770376 /nfs/dbraw/zinc/77/03/76/290770376.db2.gz FNTBRFNMDIDVSY-OAHLLOKOSA-N 2 2 293.415 0.479 20 0 CCADLP CN(C)S(=O)(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000367499494 232361768 /nfs/dbraw/zinc/36/17/68/232361768.db2.gz CYUGGOOHPPMXBW-ZDUSSCGKSA-N 2 2 289.445 0.296 20 0 CCADLP CN(C)S(=O)(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000367499494 232361779 /nfs/dbraw/zinc/36/17/79/232361779.db2.gz CYUGGOOHPPMXBW-ZDUSSCGKSA-N 2 2 289.445 0.296 20 0 CCADLP Cc1cc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)on1 ZINC000257713998 137005985 /nfs/dbraw/zinc/00/59/85/137005985.db2.gz OLOQUXQJROJPRA-GFCCVEGCSA-N 2 2 250.346 0.463 20 0 CCADLP C[C@]1(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)C2)CC[NH2+]C1 ZINC000261543647 137007417 /nfs/dbraw/zinc/00/74/17/137007417.db2.gz DDHXSJATNFGDNP-NEPJUHHUSA-N 2 2 260.403 0.495 20 0 CCADLP C[C@]1(C[N@H+]2CCC[C@@H](S(C)(=O)=O)C2)CC[NH2+]C1 ZINC000261543647 137007418 /nfs/dbraw/zinc/00/74/18/137007418.db2.gz DDHXSJATNFGDNP-NEPJUHHUSA-N 2 2 260.403 0.495 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)NCc1ccccc1 ZINC000261550075 137007730 /nfs/dbraw/zinc/00/77/30/137007730.db2.gz PIBGKRRUCDWKMC-GJZGRUSLSA-N 2 2 273.380 0.987 20 0 CCADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)NCc1ccccc1 ZINC000261550075 137007731 /nfs/dbraw/zinc/00/77/31/137007731.db2.gz PIBGKRRUCDWKMC-GJZGRUSLSA-N 2 2 273.380 0.987 20 0 CCADLP Cn1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)nn1 ZINC000261669469 137014997 /nfs/dbraw/zinc/01/49/97/137014997.db2.gz IXUMWQVFNJXSJA-HIFRSBDPSA-N 2 2 271.368 0.989 20 0 CCADLP Cn1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)nn1 ZINC000261669469 137014998 /nfs/dbraw/zinc/01/49/98/137014998.db2.gz IXUMWQVFNJXSJA-HIFRSBDPSA-N 2 2 271.368 0.989 20 0 CCADLP C[NH2+]CC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000262364576 137040103 /nfs/dbraw/zinc/04/01/03/137040103.db2.gz VZPZBICORRPQQY-NSHDSACASA-N 2 2 250.346 0.421 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000262673633 137050134 /nfs/dbraw/zinc/05/01/34/137050134.db2.gz QHEANJYHQZBGQH-SNVBAGLBSA-N 2 2 250.346 0.619 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000263128010 137058848 /nfs/dbraw/zinc/05/88/48/137058848.db2.gz BKHGEYRZEXAVSO-GWCFXTLKSA-N 2 2 250.346 0.944 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)C[C@@H](C)O1 ZINC000261747791 137018027 /nfs/dbraw/zinc/01/80/27/137018027.db2.gz MMBXNLGBXYPGPY-UMVBOHGHSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)C[C@@H](C)O1 ZINC000261747791 137018028 /nfs/dbraw/zinc/01/80/28/137018028.db2.gz MMBXNLGBXYPGPY-UMVBOHGHSA-N 2 2 281.400 0.308 20 0 CCADLP COc1ccc(CNC(=O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000261775595 137019839 /nfs/dbraw/zinc/01/98/39/137019839.db2.gz SSJHBWNLQMXZTD-MRXNPFEDSA-N 2 2 291.395 0.982 20 0 CCADLP COc1ccc(CNC(=O)C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000261775595 137019840 /nfs/dbraw/zinc/01/98/40/137019840.db2.gz SSJHBWNLQMXZTD-MRXNPFEDSA-N 2 2 291.395 0.982 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC(C)(C)[NH3+] ZINC000261805514 137020877 /nfs/dbraw/zinc/02/08/77/137020877.db2.gz HGRPZSAVTHHDSK-UPJWGTAASA-N 3 2 255.406 0.907 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC(C)(C)[NH3+] ZINC000261805514 137020878 /nfs/dbraw/zinc/02/08/78/137020878.db2.gz HGRPZSAVTHHDSK-UPJWGTAASA-N 3 2 255.406 0.907 20 0 CCADLP C1CC1[N@@H+]1CC[C@@H](N[C@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261971484 137027051 /nfs/dbraw/zinc/02/70/51/137027051.db2.gz QPQJDNIERBKBKD-DMRZNYOFSA-N 2 2 279.428 0.970 20 0 CCADLP C1CC1[N@H+]1CC[C@@H](N[C@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261971484 137027052 /nfs/dbraw/zinc/02/70/52/137027052.db2.gz QPQJDNIERBKBKD-DMRZNYOFSA-N 2 2 279.428 0.970 20 0 CCADLP C[C@@H](C[NH3+])C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000262303635 137036231 /nfs/dbraw/zinc/03/62/31/137036231.db2.gz BXWWBMMFUDXZHP-JTQLQIEISA-N 2 2 259.313 0.478 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)C1CC1 ZINC000312910473 137078018 /nfs/dbraw/zinc/07/80/18/137078018.db2.gz KRQZCMJSWKDXHX-VNQPRFMTSA-N 3 2 281.444 0.858 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)C1CC1 ZINC000312910473 137078019 /nfs/dbraw/zinc/07/80/19/137078019.db2.gz KRQZCMJSWKDXHX-VNQPRFMTSA-N 3 2 281.444 0.858 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)C1CC1 ZINC000312910473 137078020 /nfs/dbraw/zinc/07/80/20/137078020.db2.gz KRQZCMJSWKDXHX-VNQPRFMTSA-N 3 2 281.444 0.858 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)C1CC1 ZINC000312910473 137078021 /nfs/dbraw/zinc/07/80/21/137078021.db2.gz KRQZCMJSWKDXHX-VNQPRFMTSA-N 3 2 281.444 0.858 20 0 CCADLP CCOc1ccc(OCC[N@H+](CC[NH3+])CCO)cc1 ZINC000342403847 137091620 /nfs/dbraw/zinc/09/16/20/137091620.db2.gz UYJBUXGSTQNMIL-UHFFFAOYSA-N 2 2 268.357 0.717 20 0 CCADLP CCOc1ccc(OCC[N@@H+](CC[NH3+])CCO)cc1 ZINC000342403847 137091621 /nfs/dbraw/zinc/09/16/21/137091621.db2.gz UYJBUXGSTQNMIL-UHFFFAOYSA-N 2 2 268.357 0.717 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)NCCCn1cc[nH+]c1 ZINC000342900687 137102693 /nfs/dbraw/zinc/10/26/93/137102693.db2.gz AQQQAKSXTHUTNW-LLVKDONJSA-N 2 2 253.350 0.523 20 0 CCADLP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)N2CCCC2)CC1 ZINC000343505219 137139481 /nfs/dbraw/zinc/13/94/81/137139481.db2.gz MOCZCCMVZILLON-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@@H](C(=O)N(C)Cc1[nH]cc[nH+]1)[NH+]1CCSCC1 ZINC000343539758 137140783 /nfs/dbraw/zinc/14/07/83/137140783.db2.gz LVDUMOGIVPEWAL-JTQLQIEISA-N 2 2 268.386 0.805 20 0 CCADLP Cc1c[nH+]c(N[C@H](C)C[NH+](C)C)nc1N[C@H](C)C[NH+](C)C ZINC000343803101 137158570 /nfs/dbraw/zinc/15/85/70/137158570.db2.gz HYKNHMYAZAYJDD-CHWSQXEVSA-N 3 2 294.447 0.931 20 0 CCADLP Cc1noc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)n1 ZINC000344025653 137173822 /nfs/dbraw/zinc/17/38/22/137173822.db2.gz JFIPYMAWUBNPGH-UHFFFAOYSA-N 2 2 269.393 0.693 20 0 CCADLP Cc1noc(C[N@H+](C)CCCN(C)CC[NH+](C)C)n1 ZINC000344025653 137173823 /nfs/dbraw/zinc/17/38/23/137173823.db2.gz JFIPYMAWUBNPGH-UHFFFAOYSA-N 2 2 269.393 0.693 20 0 CCADLP CN(CCC[N@H+](C)Cc1nccn1C)CC[NH+](C)C ZINC000344039750 137174696 /nfs/dbraw/zinc/17/46/96/137174696.db2.gz UONNBMUSFMFIQS-UHFFFAOYSA-N 2 2 267.421 0.735 20 0 CCADLP CN(CCC[N@@H+](C)Cc1nccn1C)CC[NH+](C)C ZINC000344039750 137174697 /nfs/dbraw/zinc/17/46/97/137174697.db2.gz UONNBMUSFMFIQS-UHFFFAOYSA-N 2 2 267.421 0.735 20 0 CCADLP COC[C@](C)(CC(=O)OC)[NH2+]CCCn1cc[nH+]c1 ZINC000343304069 137126502 /nfs/dbraw/zinc/12/65/02/137126502.db2.gz PMYCTIUURUCWBI-ZDUSSCGKSA-N 2 2 269.345 0.831 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000013694319 348029682 /nfs/dbraw/zinc/02/96/82/348029682.db2.gz UTNUMWKBMGTSOJ-UHFFFAOYSA-N 2 2 277.372 0.165 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000036300680 348165753 /nfs/dbraw/zinc/16/57/53/348165753.db2.gz GNVYSVABNNSIOD-UHFFFAOYSA-N 2 2 270.377 0.296 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000036300680 348165756 /nfs/dbraw/zinc/16/57/56/348165756.db2.gz GNVYSVABNNSIOD-UHFFFAOYSA-N 2 2 270.377 0.296 20 0 CCADLP CN(C)C(=O)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000037254202 348185563 /nfs/dbraw/zinc/18/55/63/348185563.db2.gz FBSQVJSEOQOEDR-UHFFFAOYSA-N 2 2 262.357 0.728 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000346345974 137280400 /nfs/dbraw/zinc/28/04/00/137280400.db2.gz VHNVUYNFKJRXJZ-GFCCVEGCSA-N 2 2 271.405 0.554 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000346358777 137280713 /nfs/dbraw/zinc/28/07/13/137280713.db2.gz PEIOAOTYQLYSIY-QLFBSQMISA-N 2 2 296.459 0.469 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000346358777 137280714 /nfs/dbraw/zinc/28/07/14/137280714.db2.gz PEIOAOTYQLYSIY-QLFBSQMISA-N 2 2 296.459 0.469 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000346358778 137281028 /nfs/dbraw/zinc/28/10/28/137281028.db2.gz PEIOAOTYQLYSIY-RBSFLKMASA-N 2 2 296.459 0.469 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000346358778 137281029 /nfs/dbraw/zinc/28/10/29/137281029.db2.gz PEIOAOTYQLYSIY-RBSFLKMASA-N 2 2 296.459 0.469 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cn(Cc2cccnc2)nn1 ZINC000346671899 137298449 /nfs/dbraw/zinc/29/84/49/137298449.db2.gz HPJQICDFCHIMDN-TZMCWYRMSA-N 2 2 286.383 0.891 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cn(Cc2cccnc2)nn1 ZINC000346671899 137298450 /nfs/dbraw/zinc/29/84/50/137298450.db2.gz HPJQICDFCHIMDN-TZMCWYRMSA-N 2 2 286.383 0.891 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000346130157 137269108 /nfs/dbraw/zinc/26/91/08/137269108.db2.gz GGXRNDCCHYVGBO-TZMCWYRMSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000346130157 137269109 /nfs/dbraw/zinc/26/91/09/137269109.db2.gz GGXRNDCCHYVGBO-TZMCWYRMSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000346181874 137271458 /nfs/dbraw/zinc/27/14/58/137271458.db2.gz BXRTTYINIVEVFN-GXTWGEPZSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000346181874 137271459 /nfs/dbraw/zinc/27/14/59/137271459.db2.gz BXRTTYINIVEVFN-GXTWGEPZSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)C2CC[NH+](C)CC2)CCO1 ZINC000531295784 358454272 /nfs/dbraw/zinc/45/42/72/358454272.db2.gz YHCMRKGPBGVKOK-LBPRGKRZSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)C2CC[NH+](C)CC2)CCO1 ZINC000531295784 358454276 /nfs/dbraw/zinc/45/42/76/358454276.db2.gz YHCMRKGPBGVKOK-LBPRGKRZSA-N 2 2 269.389 0.165 20 0 CCADLP CSC1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000602921388 362887948 /nfs/dbraw/zinc/88/79/48/362887948.db2.gz IVJVFQQMRZMVTK-UHFFFAOYSA-N 2 2 271.430 0.588 20 0 CCADLP CCOC(=O)[C@@](C)(O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347115543 137320975 /nfs/dbraw/zinc/32/09/75/137320975.db2.gz ALZPZYWFIXQGOC-ZFWWWQNUSA-N 2 2 294.351 0.849 20 0 CCADLP CCOC(=O)[C@@](C)(O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347115543 137320976 /nfs/dbraw/zinc/32/09/76/137320976.db2.gz ALZPZYWFIXQGOC-ZFWWWQNUSA-N 2 2 294.351 0.849 20 0 CCADLP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CC[NH+]1CCOCC1 ZINC000347290839 137329459 /nfs/dbraw/zinc/32/94/59/137329459.db2.gz CJFXIPWZFAVKRY-GJZGRUSLSA-N 2 2 267.417 0.877 20 0 CCADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cocn1 ZINC000349319568 137392189 /nfs/dbraw/zinc/39/21/89/137392189.db2.gz ULCMKCAFAYWGBO-UHFFFAOYSA-N 2 2 252.362 0.744 20 0 CCADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cocn1 ZINC000349319568 137392190 /nfs/dbraw/zinc/39/21/90/137392190.db2.gz ULCMKCAFAYWGBO-UHFFFAOYSA-N 2 2 252.362 0.744 20 0 CCADLP Cc1c[nH+]c(CNCC[N@@H+]2CCCOCC2)n1C ZINC000349411438 137393387 /nfs/dbraw/zinc/39/33/87/137393387.db2.gz XAQXTLKQJKFXBS-UHFFFAOYSA-N 2 2 252.362 0.540 20 0 CCADLP Cc1c[nH+]c(CNCC[N@H+]2CCCOCC2)n1C ZINC000349411438 137393388 /nfs/dbraw/zinc/39/33/88/137393388.db2.gz XAQXTLKQJKFXBS-UHFFFAOYSA-N 2 2 252.362 0.540 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000349529791 137395318 /nfs/dbraw/zinc/39/53/18/137395318.db2.gz ZMOLJZRMLXOFCM-GFCCVEGCSA-N 2 2 286.420 0.347 20 0 CCADLP COc1ccccc1[C@H]([NH3+])C(=O)N1CCC[N@H+](C)CC1 ZINC000347684311 137350055 /nfs/dbraw/zinc/35/00/55/137350055.db2.gz GUEOBDJYSIYIJB-AWEZNQCLSA-N 2 2 277.368 0.859 20 0 CCADLP COc1ccccc1[C@H]([NH3+])C(=O)N1CCC[N@@H+](C)CC1 ZINC000347684311 137350056 /nfs/dbraw/zinc/35/00/56/137350056.db2.gz GUEOBDJYSIYIJB-AWEZNQCLSA-N 2 2 277.368 0.859 20 0 CCADLP CSC1(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000347823581 137359105 /nfs/dbraw/zinc/35/91/05/137359105.db2.gz IIWUNQAIMCDEHB-LLVKDONJSA-N 2 2 271.430 0.811 20 0 CCADLP CSC1(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000347823581 137359106 /nfs/dbraw/zinc/35/91/06/137359106.db2.gz IIWUNQAIMCDEHB-LLVKDONJSA-N 2 2 271.430 0.811 20 0 CCADLP Cc1nc([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cs1 ZINC000348045520 137370448 /nfs/dbraw/zinc/37/04/48/137370448.db2.gz QSNHQRHBDZZMKP-JTQLQIEISA-N 2 2 282.413 0.876 20 0 CCADLP O[C@H](C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)C1CC1 ZINC000348969414 137381727 /nfs/dbraw/zinc/38/17/27/137381727.db2.gz SURLKDVQYVLIRX-MRXNPFEDSA-N 2 2 297.443 0.144 20 0 CCADLP O[C@H](C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1)C1CC1 ZINC000348969414 137381728 /nfs/dbraw/zinc/38/17/28/137381728.db2.gz SURLKDVQYVLIRX-MRXNPFEDSA-N 2 2 297.443 0.144 20 0 CCADLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)[C@H]1CC[NH2+]C1 ZINC000062116295 348664991 /nfs/dbraw/zinc/66/49/91/348664991.db2.gz WLSCOLVINBWMNM-ZDUSSCGKSA-N 2 2 290.367 0.144 20 0 CCADLP O=S1(=O)CCC[C@@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000069135656 348832306 /nfs/dbraw/zinc/83/23/06/348832306.db2.gz WNSOFULHIYKNJS-LLVKDONJSA-N 2 2 257.359 0.440 20 0 CCADLP c1c[nH+]c(CN2CCC[C@H](C[NH+]3CCOCC3)C2)[nH]1 ZINC000069805219 348861839 /nfs/dbraw/zinc/86/18/39/348861839.db2.gz GBURXRBVITYJRQ-CYBMUJFWSA-N 2 2 264.373 0.954 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000070149527 348873525 /nfs/dbraw/zinc/87/35/25/348873525.db2.gz KHQFOSXONVJHER-LBPRGKRZSA-N 2 2 284.404 0.816 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000070149527 348873529 /nfs/dbraw/zinc/87/35/29/348873529.db2.gz KHQFOSXONVJHER-LBPRGKRZSA-N 2 2 284.404 0.816 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000070174512 348876662 /nfs/dbraw/zinc/87/66/62/348876662.db2.gz DVVPLQWETUPBAH-GHMZBOCLSA-N 2 2 284.404 0.670 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000070174512 348876665 /nfs/dbraw/zinc/87/66/65/348876665.db2.gz DVVPLQWETUPBAH-GHMZBOCLSA-N 2 2 284.404 0.670 20 0 CCADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NC[C@@H]2CCCO2)C1 ZINC000072860763 348936455 /nfs/dbraw/zinc/93/64/55/348936455.db2.gz KTATZYPNIVVYRQ-KKUMJFAQSA-N 2 2 297.443 0.944 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NC[C@@H]2CCCO2)C1 ZINC000072860763 348936457 /nfs/dbraw/zinc/93/64/57/348936457.db2.gz KTATZYPNIVVYRQ-KKUMJFAQSA-N 2 2 297.443 0.944 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC[C@@H]2CCCO2)C1 ZINC000072860763 348936461 /nfs/dbraw/zinc/93/64/61/348936461.db2.gz KTATZYPNIVVYRQ-KKUMJFAQSA-N 2 2 297.443 0.944 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC[C@@H]2CCCO2)C1 ZINC000072860763 348936462 /nfs/dbraw/zinc/93/64/62/348936462.db2.gz KTATZYPNIVVYRQ-KKUMJFAQSA-N 2 2 297.443 0.944 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)C(=O)NCCCOC)C1 ZINC000071147664 348905077 /nfs/dbraw/zinc/90/50/77/348905077.db2.gz GDTJXLFYXAZBBO-VXGBXAGGSA-N 2 2 257.378 0.069 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)C(=O)NCCCOC)C1 ZINC000071147664 348905078 /nfs/dbraw/zinc/90/50/78/348905078.db2.gz GDTJXLFYXAZBBO-VXGBXAGGSA-N 2 2 257.378 0.069 20 0 CCADLP O[C@@H](C[NH2+]Cc1cncnc1)C[N@@H+]1CCc2ccccc2C1 ZINC000339546027 215238196 /nfs/dbraw/zinc/23/81/96/215238196.db2.gz IOGKUHOWMUTAPP-KRWDZBQOSA-N 2 2 298.390 0.985 20 0 CCADLP O[C@@H](C[NH2+]Cc1cncnc1)C[N@H+]1CCc2ccccc2C1 ZINC000339546027 215238199 /nfs/dbraw/zinc/23/81/99/215238199.db2.gz IOGKUHOWMUTAPP-KRWDZBQOSA-N 2 2 298.390 0.985 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H](C)[C@@H]2C)C1 ZINC000339568485 215246931 /nfs/dbraw/zinc/24/69/31/215246931.db2.gz IYRAGRXDAOZOPS-QLFBSQMISA-N 2 2 297.443 0.800 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H](C)[C@@H]2C)C1 ZINC000339568485 215246936 /nfs/dbraw/zinc/24/69/36/215246936.db2.gz IYRAGRXDAOZOPS-QLFBSQMISA-N 2 2 297.443 0.800 20 0 CCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@@H](C)[C@@H]2C)C1 ZINC000339568485 215246938 /nfs/dbraw/zinc/24/69/38/215246938.db2.gz IYRAGRXDAOZOPS-QLFBSQMISA-N 2 2 297.443 0.800 20 0 CCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@@H](C)[C@@H]2C)C1 ZINC000339568485 215246941 /nfs/dbraw/zinc/24/69/41/215246941.db2.gz IYRAGRXDAOZOPS-QLFBSQMISA-N 2 2 297.443 0.800 20 0 CCADLP C[NH2+]CC(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000076443443 349083695 /nfs/dbraw/zinc/08/36/95/349083695.db2.gz GEQHKNJLBVCYAR-UHFFFAOYSA-N 2 2 276.384 0.144 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCN(CC(=O)NC(C)C)CC1 ZINC000077121601 349099405 /nfs/dbraw/zinc/09/94/05/349099405.db2.gz VHLPVWOYVNIVPR-UHFFFAOYSA-N 2 2 293.415 0.334 20 0 CCADLP CCN1CC[NH+](CCOCCN2CC[NH+](CC)CC2)CC1 ZINC000082016591 349290147 /nfs/dbraw/zinc/29/01/47/349290147.db2.gz ZRIHDUGKVRTRAW-UHFFFAOYSA-N 2 2 298.475 0.278 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000081309546 349257042 /nfs/dbraw/zinc/25/70/42/349257042.db2.gz HZSSLNFOYHBPMK-CYBMUJFWSA-N 2 2 278.356 0.377 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000081309546 349257046 /nfs/dbraw/zinc/25/70/46/349257046.db2.gz HZSSLNFOYHBPMK-CYBMUJFWSA-N 2 2 278.356 0.377 20 0 CCADLP C[NH+](C)Cc1cccc(NC(=O)[C@H]2COCC[NH2+]2)c1 ZINC000088358542 349361876 /nfs/dbraw/zinc/36/18/76/349361876.db2.gz RTEGELFTIXIVDX-CYBMUJFWSA-N 2 2 263.341 0.675 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)[C@H]1COCC[NH2+]1)c1cccs1 ZINC000088371677 349364161 /nfs/dbraw/zinc/36/41/61/349364161.db2.gz OOIODXSIDSGUDQ-GHMZBOCLSA-N 2 2 283.397 0.455 20 0 CCADLP [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000089450360 349387728 /nfs/dbraw/zinc/38/77/28/349387728.db2.gz NVNMOZSWVUFZTF-NWDGAFQWSA-N 2 2 250.346 0.764 20 0 CCADLP Cc1nc(N2CC[C@@H](OCC[NH+](C)C)C2)cc[nH+]1 ZINC000339685019 215296776 /nfs/dbraw/zinc/29/67/76/215296776.db2.gz YKYULUDJERDPQD-GFCCVEGCSA-N 2 2 250.346 0.942 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CC[C@@H]2CCOC2=O)CC1 ZINC000089926302 349412640 /nfs/dbraw/zinc/41/26/40/349412640.db2.gz HLZWSJSTXQLDED-GFCCVEGCSA-N 2 2 278.356 0.495 20 0 CCADLP CCN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926891 349413021 /nfs/dbraw/zinc/41/30/21/349413021.db2.gz CXSBFCHKRSJREH-CYBMUJFWSA-N 2 2 293.415 0.799 20 0 CCADLP C[NH2+]CCCNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000121669783 350050847 /nfs/dbraw/zinc/05/08/47/350050847.db2.gz CPLHICMUHUQBAS-UHFFFAOYSA-N 2 2 259.313 0.607 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000121779708 350055972 /nfs/dbraw/zinc/05/59/72/350055972.db2.gz MALBOQITUQJVOZ-VIFPVBQESA-N 2 2 278.278 0.465 20 0 CCADLP CC[C@H](C(=O)N[C@H](C)C[NH+]1CCOCC1)[NH+](C)C ZINC000124810460 350108380 /nfs/dbraw/zinc/10/83/80/350108380.db2.gz NRSVRKDIGNQKHO-VXGBXAGGSA-N 2 2 257.378 0.164 20 0 CCADLP C[NH2+]CCC[N@H+](C)CC(=O)NCc1ccc(F)cc1 ZINC000124985339 350112383 /nfs/dbraw/zinc/11/23/83/350112383.db2.gz MQFIOENYIBCFBV-UHFFFAOYSA-N 2 2 267.348 0.983 20 0 CCADLP C[NH2+]CCC[N@@H+](C)CC(=O)NCc1ccc(F)cc1 ZINC000124985339 350112385 /nfs/dbraw/zinc/11/23/85/350112385.db2.gz MQFIOENYIBCFBV-UHFFFAOYSA-N 2 2 267.348 0.983 20 0 CCADLP Cc1ccc(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1C ZINC000124322850 350095545 /nfs/dbraw/zinc/09/55/45/350095545.db2.gz ZYITZIFGVDTHJG-HNNXBMFYSA-N 2 2 275.396 0.947 20 0 CCADLP Cc1ccc(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1C ZINC000124322850 350095549 /nfs/dbraw/zinc/09/55/49/350095549.db2.gz ZYITZIFGVDTHJG-HNNXBMFYSA-N 2 2 275.396 0.947 20 0 CCADLP C[C@@H]1C[C@H](NCCC[NH+]2CCOCC2)C[N@@H+]1C1CC1 ZINC000128113643 350185985 /nfs/dbraw/zinc/18/59/85/350185985.db2.gz KEQPTDIUSZPUQS-KGLIPLIRSA-N 2 2 267.417 0.924 20 0 CCADLP C[C@@H]1C[C@H](NCCC[NH+]2CCOCC2)C[N@H+]1C1CC1 ZINC000128113643 350185989 /nfs/dbraw/zinc/18/59/89/350185989.db2.gz KEQPTDIUSZPUQS-KGLIPLIRSA-N 2 2 267.417 0.924 20 0 CCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129115012 350205168 /nfs/dbraw/zinc/20/51/68/350205168.db2.gz XLTLOYFILKKTPC-AWEZNQCLSA-N 2 2 283.416 0.509 20 0 CCADLP CCN(CC)C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129115012 350205169 /nfs/dbraw/zinc/20/51/69/350205169.db2.gz XLTLOYFILKKTPC-AWEZNQCLSA-N 2 2 283.416 0.509 20 0 CCADLP CC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000130314316 350235200 /nfs/dbraw/zinc/23/52/00/350235200.db2.gz QRNWLAVYBMMIOD-WCQYABFASA-N 2 2 292.383 0.660 20 0 CCADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000130784392 350248814 /nfs/dbraw/zinc/24/88/14/350248814.db2.gz NJCWBESLTOXUEM-KGLIPLIRSA-N 2 2 298.431 0.347 20 0 CCADLP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000130784392 350248816 /nfs/dbraw/zinc/24/88/16/350248816.db2.gz NJCWBESLTOXUEM-KGLIPLIRSA-N 2 2 298.431 0.347 20 0 CCADLP CC(C)N(C)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000131578965 350279840 /nfs/dbraw/zinc/27/98/40/350279840.db2.gz NMKRJOHCPZQCOP-CQSZACIVSA-N 2 2 283.416 0.507 20 0 CCADLP CNS(=O)(=O)CCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131798200 350287391 /nfs/dbraw/zinc/28/73/91/350287391.db2.gz FRWRBDUGPWWSCB-ZDUSSCGKSA-N 2 2 299.396 0.474 20 0 CCADLP CNS(=O)(=O)CCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131798200 350287397 /nfs/dbraw/zinc/28/73/97/350287397.db2.gz FRWRBDUGPWWSCB-ZDUSSCGKSA-N 2 2 299.396 0.474 20 0 CCADLP COc1cc(C[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)ccn1 ZINC000133988144 350350759 /nfs/dbraw/zinc/35/07/59/350350759.db2.gz GJBWWHFQRSANME-DGCLKSJQSA-N 2 2 265.357 0.947 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CNc1nc[nH+]c(N)c1OC ZINC000134817532 350376262 /nfs/dbraw/zinc/37/62/62/350376262.db2.gz GAZSGXVOJTZOSK-VIFPVBQESA-N 2 2 251.334 0.964 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNc1nc[nH+]c(N)c1OC ZINC000134817532 350376267 /nfs/dbraw/zinc/37/62/67/350376267.db2.gz GAZSGXVOJTZOSK-VIFPVBQESA-N 2 2 251.334 0.964 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](C2CC2)C(C)(C)CO)CC1 ZINC000339727181 215316749 /nfs/dbraw/zinc/31/67/49/215316749.db2.gz ZVWRTYPTPTTWPE-CQSZACIVSA-N 2 2 283.416 0.147 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000145486458 350464859 /nfs/dbraw/zinc/46/48/59/350464859.db2.gz QEQLNUHRZOMBPV-TUAOUCFPSA-N 2 2 257.378 0.197 20 0 CCADLP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107576149 186180106 /nfs/dbraw/zinc/18/01/06/186180106.db2.gz IJNRSHUIMQTPCU-KPWCQOOUSA-N 2 2 265.401 0.927 20 0 CCADLP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107576149 186180108 /nfs/dbraw/zinc/18/01/08/186180108.db2.gz IJNRSHUIMQTPCU-KPWCQOOUSA-N 2 2 265.401 0.927 20 0 CCADLP CNC(=O)C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000153967261 350569082 /nfs/dbraw/zinc/56/90/82/350569082.db2.gz SSAYBIKDGLREPM-ZIAGYGMSSA-N 2 2 282.432 0.223 20 0 CCADLP O=C(C[NH2+]C1CC1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000154648159 350594709 /nfs/dbraw/zinc/59/47/09/350594709.db2.gz AEPUQZICGTVVBY-CQSZACIVSA-N 2 2 281.400 0.452 20 0 CCADLP CCNC(=O)NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109793528 186272234 /nfs/dbraw/zinc/27/22/34/186272234.db2.gz ZUEOQPIXDSQNKN-UHFFFAOYSA-N 2 2 279.344 0.366 20 0 CCADLP C[C@@H]([NH3+])C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000110647370 186309570 /nfs/dbraw/zinc/30/95/70/186309570.db2.gz YKUPHIFZIJQEFM-LLVKDONJSA-N 2 2 250.346 0.859 20 0 CCADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NC(=O)NC3CC3)CC[C@@H]21 ZINC000158994462 350665943 /nfs/dbraw/zinc/66/59/43/350665943.db2.gz DMEGYUJPUHLMQH-YPMHNXCESA-N 2 2 294.399 0.391 20 0 CCADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NC(=O)NC3CC3)CC[C@@H]21 ZINC000158994462 350665946 /nfs/dbraw/zinc/66/59/46/350665946.db2.gz DMEGYUJPUHLMQH-YPMHNXCESA-N 2 2 294.399 0.391 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NC(=O)NC3CC3)CC[C@@H]21 ZINC000158994462 350665948 /nfs/dbraw/zinc/66/59/48/350665948.db2.gz DMEGYUJPUHLMQH-YPMHNXCESA-N 2 2 294.399 0.391 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NC(=O)NC3CC3)CC[C@@H]21 ZINC000158994462 350665951 /nfs/dbraw/zinc/66/59/51/350665951.db2.gz DMEGYUJPUHLMQH-YPMHNXCESA-N 2 2 294.399 0.391 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCC(F)(F)F)C1 ZINC000163254850 350762409 /nfs/dbraw/zinc/76/24/09/350762409.db2.gz GPZJZZVPTRUPNG-JGVFFNPUSA-N 2 2 253.268 0.334 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCC(F)(F)F)C1 ZINC000163254850 350762414 /nfs/dbraw/zinc/76/24/14/350762414.db2.gz GPZJZZVPTRUPNG-JGVFFNPUSA-N 2 2 253.268 0.334 20 0 CCADLP CCc1noc(CC)c1CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000162317954 350742047 /nfs/dbraw/zinc/74/20/47/350742047.db2.gz DUKJTKSBVPSDJJ-NSHDSACASA-N 2 2 294.399 0.443 20 0 CCADLP CCc1noc(CC)c1CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000162317954 350742050 /nfs/dbraw/zinc/74/20/50/350742050.db2.gz DUKJTKSBVPSDJJ-NSHDSACASA-N 2 2 294.399 0.443 20 0 CCADLP C[C@H](CC(=O)N[C@@H](C)C[NH+]1CCOCC1)C1CC[NH2+]CC1 ZINC000165045587 350786722 /nfs/dbraw/zinc/78/67/22/350786722.db2.gz YZUQOKIGMKBUDV-KGLIPLIRSA-N 2 2 297.443 0.849 20 0 CCADLP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)N2CC[NH2+]CC2)CC[N@@H+]1C ZINC000262074641 297258740 /nfs/dbraw/zinc/25/87/40/297258740.db2.gz KFAGSEAOMBCKTG-KGLIPLIRSA-N 3 2 282.432 0.223 20 0 CCADLP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)N2CC[NH2+]CC2)CC[N@H+]1C ZINC000262074641 297258742 /nfs/dbraw/zinc/25/87/42/297258742.db2.gz KFAGSEAOMBCKTG-KGLIPLIRSA-N 3 2 282.432 0.223 20 0 CCADLP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)N2CC[NH2+]CC2)CC[NH+]1C ZINC000262074641 297258744 /nfs/dbraw/zinc/25/87/44/297258744.db2.gz KFAGSEAOMBCKTG-KGLIPLIRSA-N 3 2 282.432 0.223 20 0 CCADLP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)N2CC[NH2+]CC2)CC[NH+]1C ZINC000262074641 297258746 /nfs/dbraw/zinc/25/87/46/297258746.db2.gz KFAGSEAOMBCKTG-KGLIPLIRSA-N 3 2 282.432 0.223 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(COC)CC2)CC1 ZINC000171831855 350936401 /nfs/dbraw/zinc/93/64/01/350936401.db2.gz MQCZWUOPDFZVQY-CQSZACIVSA-N 2 2 297.443 0.897 20 0 CCADLP COc1ccccc1C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000171110493 350886084 /nfs/dbraw/zinc/88/60/84/350886084.db2.gz DVDPGKMIZYHYMC-UHFFFAOYSA-N 2 2 291.395 0.901 20 0 CCADLP COCC[N@H+](C)CCC[NH2+]Cc1ccc(CO)o1 ZINC000174266852 351077282 /nfs/dbraw/zinc/07/72/82/351077282.db2.gz JIVHUVLKVBLCSK-UHFFFAOYSA-N 2 2 256.346 0.830 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(CO)o1 ZINC000174266852 351077286 /nfs/dbraw/zinc/07/72/86/351077286.db2.gz JIVHUVLKVBLCSK-UHFFFAOYSA-N 2 2 256.346 0.830 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N(C)CC[NH+](C)C)[NH+]1CCOCC1 ZINC000176335237 351169229 /nfs/dbraw/zinc/16/92/29/351169229.db2.gz WJWRIJQAZNYNLP-QWHCGFSZSA-N 2 2 286.420 0.299 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000178762690 351244228 /nfs/dbraw/zinc/24/42/28/351244228.db2.gz FBHJYKAXQYQDSQ-AWEZNQCLSA-N 2 2 291.395 0.913 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000178762690 351244234 /nfs/dbraw/zinc/24/42/34/351244234.db2.gz FBHJYKAXQYQDSQ-AWEZNQCLSA-N 2 2 291.395 0.913 20 0 CCADLP CC1CC[NH+](CC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000178074099 351218063 /nfs/dbraw/zinc/21/80/63/351218063.db2.gz SCQPMVYXKCAVMV-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP CC1CC[NH+](CC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000178074099 351218064 /nfs/dbraw/zinc/21/80/64/351218064.db2.gz SCQPMVYXKCAVMV-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000178194897 351222468 /nfs/dbraw/zinc/22/24/68/351222468.db2.gz ALBMBLUQJGLFNX-QLFBSQMISA-N 2 2 294.443 0.365 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000178194897 351222470 /nfs/dbraw/zinc/22/24/70/351222470.db2.gz ALBMBLUQJGLFNX-QLFBSQMISA-N 2 2 294.443 0.365 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3c[nH]cn3)C2)CC1 ZINC000179475522 351268315 /nfs/dbraw/zinc/26/83/15/351268315.db2.gz GDSABZCGMRZZMF-CQSZACIVSA-N 2 2 263.389 0.622 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c[nH]cn3)C2)CC1 ZINC000179475522 351268321 /nfs/dbraw/zinc/26/83/21/351268321.db2.gz GDSABZCGMRZZMF-CQSZACIVSA-N 2 2 263.389 0.622 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cnc[nH]3)C2)CC1 ZINC000179475522 351268324 /nfs/dbraw/zinc/26/83/24/351268324.db2.gz GDSABZCGMRZZMF-CQSZACIVSA-N 2 2 263.389 0.622 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnc[nH]3)C2)CC1 ZINC000179475522 351268328 /nfs/dbraw/zinc/26/83/28/351268328.db2.gz GDSABZCGMRZZMF-CQSZACIVSA-N 2 2 263.389 0.622 20 0 CCADLP CS(=O)(=O)N1CCC[N@@H+](CCCn2cc[nH+]c2)CC1 ZINC000182620288 351366640 /nfs/dbraw/zinc/36/66/40/351366640.db2.gz CJXCEZIXLIHDBB-UHFFFAOYSA-N 2 2 286.401 0.241 20 0 CCADLP CSC[C@@H](O)C[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000187754966 351555673 /nfs/dbraw/zinc/55/56/73/351555673.db2.gz MUKPPNASQKXRLU-OCCSQVGLSA-N 2 2 288.457 0.895 20 0 CCADLP CSC[C@@H](O)C[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000187754966 351555675 /nfs/dbraw/zinc/55/56/75/351555675.db2.gz MUKPPNASQKXRLU-OCCSQVGLSA-N 2 2 288.457 0.895 20 0 CCADLP CSC[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000187906952 351562430 /nfs/dbraw/zinc/56/24/30/351562430.db2.gz GTJXTOTZKMXVBU-CHWSQXEVSA-N 2 2 274.430 0.364 20 0 CCADLP CSC[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000187906952 351562436 /nfs/dbraw/zinc/56/24/36/351562436.db2.gz GTJXTOTZKMXVBU-CHWSQXEVSA-N 2 2 274.430 0.364 20 0 CCADLP CC[NH+](CC)[C@H]1CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C1 ZINC000188710247 351621234 /nfs/dbraw/zinc/62/12/34/351621234.db2.gz KODJZZASVHDVAO-NSHDSACASA-N 2 2 291.399 0.612 20 0 CCADLP CC(C)CC[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000190801004 351736083 /nfs/dbraw/zinc/73/60/83/351736083.db2.gz IBVLMNUXTSOHJM-CQSZACIVSA-N 2 2 283.416 0.555 20 0 CCADLP [NH3+]CC(F)(F)CNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000190198747 351713911 /nfs/dbraw/zinc/71/39/11/351713911.db2.gz QDTIAZBSTWHZDX-UHFFFAOYSA-N 2 2 281.266 0.591 20 0 CCADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ncccn1 ZINC000192136130 351784789 /nfs/dbraw/zinc/78/47/89/351784789.db2.gz CZYPIWODWDBFQH-UHFFFAOYSA-N 2 2 263.389 0.546 20 0 CCADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ncccn1 ZINC000192136130 351784792 /nfs/dbraw/zinc/78/47/92/351784792.db2.gz CZYPIWODWDBFQH-UHFFFAOYSA-N 2 2 263.389 0.546 20 0 CCADLP C[C@@H]1COCCN1CC[N@H+](C)CCCn1cc[nH+]c1 ZINC000191601861 351765441 /nfs/dbraw/zinc/76/54/41/351765441.db2.gz LDRHFXOPOOTNKO-CQSZACIVSA-N 2 2 266.389 0.926 20 0 CCADLP C[C@@H]1COCCN1CC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000191601861 351765447 /nfs/dbraw/zinc/76/54/47/351765447.db2.gz LDRHFXOPOOTNKO-CQSZACIVSA-N 2 2 266.389 0.926 20 0 CCADLP O=C1NC(=O)[C@@]2(CCC[N@H+](Cc3cccc4[nH+]ccn43)C2)N1 ZINC000193469184 351829215 /nfs/dbraw/zinc/82/92/15/351829215.db2.gz RKBZEJVTVJDNQN-HNNXBMFYSA-N 2 2 299.334 0.508 20 0 CCADLP O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3cccc4[nH+]ccn43)C2)N1 ZINC000193469184 351829219 /nfs/dbraw/zinc/82/92/19/351829219.db2.gz RKBZEJVTVJDNQN-HNNXBMFYSA-N 2 2 299.334 0.508 20 0 CCADLP CCC(CC)[C@@H](C(=O)N[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000123934572 187115192 /nfs/dbraw/zinc/11/51/92/187115192.db2.gz CSAMYIROAKPPRC-GJZGRUSLSA-N 2 2 297.443 0.992 20 0 CCADLP CNS(=O)(=O)CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000221098673 351976389 /nfs/dbraw/zinc/97/63/89/351976389.db2.gz IBYDVFSKZZPTCW-UHFFFAOYSA-N 2 2 298.412 0.189 20 0 CCADLP O[C@@H]1COC[C@@H]1[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000221984558 351981135 /nfs/dbraw/zinc/98/11/35/351981135.db2.gz JADIHDHXSJVLMA-UONOGXRCSA-N 2 2 254.374 0.696 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226031286 352018588 /nfs/dbraw/zinc/01/85/88/352018588.db2.gz PMQZJANLPBFFTE-WDEREUQCSA-N 2 2 270.377 0.281 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226031286 352018592 /nfs/dbraw/zinc/01/85/92/352018592.db2.gz PMQZJANLPBFFTE-WDEREUQCSA-N 2 2 270.377 0.281 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCC(=O)NC(C)(C)C)n1C ZINC000228334454 352073854 /nfs/dbraw/zinc/07/38/54/352073854.db2.gz LIJSSKMUJYHTGZ-UHFFFAOYSA-N 2 2 281.404 0.881 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231671150 352131508 /nfs/dbraw/zinc/13/15/08/352131508.db2.gz GQJUCWVCDUWUHI-NSHDSACASA-N 2 2 270.377 0.296 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231671150 352131510 /nfs/dbraw/zinc/13/15/10/352131510.db2.gz GQJUCWVCDUWUHI-NSHDSACASA-N 2 2 270.377 0.296 20 0 CCADLP COc1c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c(C)nn1C ZINC000228679501 352079822 /nfs/dbraw/zinc/07/98/22/352079822.db2.gz JQOGPAOFLHOTBQ-JOYOIKCWSA-N 2 2 252.362 0.906 20 0 CCADLP COc1c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c(C)nn1C ZINC000228679501 352079824 /nfs/dbraw/zinc/07/98/24/352079824.db2.gz JQOGPAOFLHOTBQ-JOYOIKCWSA-N 2 2 252.362 0.906 20 0 CCADLP Cc1ccc(O)c(C[NH2+]C[C@](C)(O)C[NH+](C)C)n1 ZINC000228726012 352082872 /nfs/dbraw/zinc/08/28/72/352082872.db2.gz VIYHLYUNHQPZPG-ZDUSSCGKSA-N 2 2 253.346 0.498 20 0 CCADLP COC[C@H](CO)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000234782272 352171339 /nfs/dbraw/zinc/17/13/39/352171339.db2.gz SJSGGWJRSXJBFN-ZDUSSCGKSA-N 2 2 265.357 0.647 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCOCC(F)F ZINC000235456918 352184408 /nfs/dbraw/zinc/18/44/08/352184408.db2.gz VRQCLRZTGCGZIB-ZJUUUORDSA-N 2 2 252.305 0.625 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000235695231 352186641 /nfs/dbraw/zinc/18/66/41/352186641.db2.gz IDDWMQHBOAOALE-AVGNSLFASA-N 2 2 269.389 0.211 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000232115465 352140290 /nfs/dbraw/zinc/14/02/90/352140290.db2.gz WBJDQDIAKCMZLP-AWEZNQCLSA-N 2 2 292.383 0.090 20 0 CCADLP C[NH2+]CC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(OC)cc1 ZINC000237272636 352257736 /nfs/dbraw/zinc/25/77/36/352257736.db2.gz KFYMUESRRQHBDB-CQSZACIVSA-N 2 2 288.351 0.854 20 0 CCADLP C[C@@H]1C[NH+](CCCNC(=O)[C@@H]2CSC[NH2+]2)C[C@@H](C)O1 ZINC000237506243 352268984 /nfs/dbraw/zinc/26/89/84/352268984.db2.gz BLXLWKHCNKVJDZ-UTUOFQBUSA-N 2 2 287.429 0.264 20 0 CCADLP O=C(C[NH2+]C1CC1)NCCc1cn2ccccc2[nH+]1 ZINC000238165743 352300961 /nfs/dbraw/zinc/30/09/61/352300961.db2.gz NLLUHDGNHLZCFT-UHFFFAOYSA-N 2 2 258.325 0.745 20 0 CCADLP CC[NH+]1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000244081861 352308788 /nfs/dbraw/zinc/30/87/88/352308788.db2.gz UDIMPYWTLWOAGC-UHFFFAOYSA-N 2 2 277.372 0.455 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246210472 352354389 /nfs/dbraw/zinc/35/43/89/352354389.db2.gz OUAGVSWHXPVMTQ-RYUDHWBXSA-N 2 2 282.388 0.248 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246210472 352354390 /nfs/dbraw/zinc/35/43/90/352354390.db2.gz OUAGVSWHXPVMTQ-RYUDHWBXSA-N 2 2 282.388 0.248 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)Cn2cc[nH+]c2)C1 ZINC000245428509 352321732 /nfs/dbraw/zinc/32/17/32/352321732.db2.gz XITMWUAVHYGGRH-QWHCGFSZSA-N 2 2 280.372 0.356 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)Cn2cc[nH+]c2)C1 ZINC000245428509 352321735 /nfs/dbraw/zinc/32/17/35/352321735.db2.gz XITMWUAVHYGGRH-QWHCGFSZSA-N 2 2 280.372 0.356 20 0 CCADLP CCNS(=O)(=O)[C@@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245527298 352327575 /nfs/dbraw/zinc/32/75/75/352327575.db2.gz CSLJFFCESJUJEB-CHWSQXEVSA-N 2 2 289.445 0.484 20 0 CCADLP CCNS(=O)(=O)[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000245527298 352327580 /nfs/dbraw/zinc/32/75/80/352327580.db2.gz CSLJFFCESJUJEB-CHWSQXEVSA-N 2 2 289.445 0.484 20 0 CCADLP CCNS(=O)(=O)[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000245527298 352327586 /nfs/dbraw/zinc/32/75/86/352327586.db2.gz CSLJFFCESJUJEB-CHWSQXEVSA-N 2 2 289.445 0.484 20 0 CCADLP CCNS(=O)(=O)[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000245527298 352327589 /nfs/dbraw/zinc/32/75/89/352327589.db2.gz CSLJFFCESJUJEB-CHWSQXEVSA-N 2 2 289.445 0.484 20 0 CCADLP COC[C@@H](O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245564865 352329550 /nfs/dbraw/zinc/32/95/50/352329550.db2.gz OIQCLTBFLJWLGY-FRRDWIJNSA-N 2 2 253.346 0.773 20 0 CCADLP COC[C@@H](O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245564865 352329551 /nfs/dbraw/zinc/32/95/51/352329551.db2.gz OIQCLTBFLJWLGY-FRRDWIJNSA-N 2 2 253.346 0.773 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000245919029 352341852 /nfs/dbraw/zinc/34/18/52/352341852.db2.gz SKJLAAIZGCZNSN-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000245919029 352341854 /nfs/dbraw/zinc/34/18/54/352341854.db2.gz SKJLAAIZGCZNSN-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000245919029 352341857 /nfs/dbraw/zinc/34/18/57/352341857.db2.gz SKJLAAIZGCZNSN-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000245919029 352341858 /nfs/dbraw/zinc/34/18/58/352341858.db2.gz SKJLAAIZGCZNSN-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000246477332 352369175 /nfs/dbraw/zinc/36/91/75/352369175.db2.gz RACUZVNJKSKARS-KKUMJFAQSA-N 2 2 297.443 0.944 20 0 CCADLP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246588662 352374694 /nfs/dbraw/zinc/37/46/94/352374694.db2.gz FTXHSFZYBUEBGP-KBPBESRZSA-N 2 2 283.416 0.555 20 0 CCADLP CCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246588662 352374697 /nfs/dbraw/zinc/37/46/97/352374697.db2.gz FTXHSFZYBUEBGP-KBPBESRZSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246791634 352382877 /nfs/dbraw/zinc/38/28/77/352382877.db2.gz HUTMFVFSBQJXCJ-QLFBSQMISA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246791634 352382879 /nfs/dbraw/zinc/38/28/79/352382879.db2.gz HUTMFVFSBQJXCJ-QLFBSQMISA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246791634 352382882 /nfs/dbraw/zinc/38/28/82/352382882.db2.gz HUTMFVFSBQJXCJ-QLFBSQMISA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246791634 352382883 /nfs/dbraw/zinc/38/28/83/352382883.db2.gz HUTMFVFSBQJXCJ-QLFBSQMISA-N 2 2 297.443 0.944 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000247359070 352410988 /nfs/dbraw/zinc/41/09/88/352410988.db2.gz QFAQQBHIHDTZCR-LSDHHAIUSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000247359070 352410992 /nfs/dbraw/zinc/41/09/92/352410992.db2.gz QFAQQBHIHDTZCR-LSDHHAIUSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000247359070 352410997 /nfs/dbraw/zinc/41/09/97/352410997.db2.gz QFAQQBHIHDTZCR-LSDHHAIUSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000247359070 352410999 /nfs/dbraw/zinc/41/09/99/352410999.db2.gz QFAQQBHIHDTZCR-LSDHHAIUSA-N 2 2 297.443 0.945 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000248146822 352432332 /nfs/dbraw/zinc/43/23/32/352432332.db2.gz QHKRNHATLWMOMW-CABCVRRESA-N 2 2 295.427 0.794 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000248146822 352432335 /nfs/dbraw/zinc/43/23/35/352432335.db2.gz QHKRNHATLWMOMW-CABCVRRESA-N 2 2 295.427 0.794 20 0 CCADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCOCC3)CC[C@H]21 ZINC000248216397 352434012 /nfs/dbraw/zinc/43/40/12/352434012.db2.gz ZSVGIBCSKYBXNT-ZIAGYGMSSA-N 2 2 281.400 0.261 20 0 CCADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCOCC3)CC[C@H]21 ZINC000248216397 352434015 /nfs/dbraw/zinc/43/40/15/352434015.db2.gz ZSVGIBCSKYBXNT-ZIAGYGMSSA-N 2 2 281.400 0.261 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N3CCOCC3)CC[C@H]21 ZINC000248216397 352434017 /nfs/dbraw/zinc/43/40/17/352434017.db2.gz ZSVGIBCSKYBXNT-ZIAGYGMSSA-N 2 2 281.400 0.261 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCOCC3)CC[C@H]21 ZINC000248216397 352434020 /nfs/dbraw/zinc/43/40/20/352434020.db2.gz ZSVGIBCSKYBXNT-ZIAGYGMSSA-N 2 2 281.400 0.261 20 0 CCADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000247221693 352404963 /nfs/dbraw/zinc/40/49/63/352404963.db2.gz QONFRISIHPZHJR-GHMZBOCLSA-N 2 2 293.371 0.666 20 0 CCADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000247221693 352404964 /nfs/dbraw/zinc/40/49/64/352404964.db2.gz QONFRISIHPZHJR-GHMZBOCLSA-N 2 2 293.371 0.666 20 0 CCADLP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C[NH+]1CCCC1 ZINC000250838275 352508134 /nfs/dbraw/zinc/50/81/34/352508134.db2.gz LHJRWDDKGDXKQV-SOUVJXGZSA-N 3 2 267.417 0.660 20 0 CCADLP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C[NH+]1CCCC1 ZINC000250838275 352508135 /nfs/dbraw/zinc/50/81/35/352508135.db2.gz LHJRWDDKGDXKQV-SOUVJXGZSA-N 3 2 267.417 0.660 20 0 CCADLP C[C@@H]1C[N@H+](Cc2cc(=O)n3ccsc3n2)CC[C@H]1[NH3+] ZINC000251697077 352511525 /nfs/dbraw/zinc/51/15/25/352511525.db2.gz IQBIRCPJKNMNTL-MWLCHTKSSA-N 2 2 278.381 0.925 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2cc(=O)n3ccsc3n2)CC[C@H]1[NH3+] ZINC000251697077 352511527 /nfs/dbraw/zinc/51/15/27/352511527.db2.gz IQBIRCPJKNMNTL-MWLCHTKSSA-N 2 2 278.381 0.925 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252416593 352514305 /nfs/dbraw/zinc/51/43/05/352514305.db2.gz OKGOWPUUYTURDL-YNEHKIRRSA-N 2 2 296.415 0.685 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252416593 352514309 /nfs/dbraw/zinc/51/43/09/352514309.db2.gz OKGOWPUUYTURDL-YNEHKIRRSA-N 2 2 296.415 0.685 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@H](C[NH3+])c2ccccc2)C1 ZINC000252553678 352520106 /nfs/dbraw/zinc/52/01/06/352520106.db2.gz RGIBTTHIRJNPKY-ZIAGYGMSSA-N 2 2 277.368 0.176 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)[C@H](C[NH3+])c2ccccc2)C1 ZINC000252553678 352520109 /nfs/dbraw/zinc/52/01/09/352520109.db2.gz RGIBTTHIRJNPKY-ZIAGYGMSSA-N 2 2 277.368 0.176 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C)C(=O)OC ZINC000252685301 352523098 /nfs/dbraw/zinc/52/30/98/352523098.db2.gz HXQFHVQLCGHIKJ-OPDFLTKYSA-N 2 2 299.415 0.502 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C)C(=O)OC ZINC000252685301 352523100 /nfs/dbraw/zinc/52/31/00/352523100.db2.gz HXQFHVQLCGHIKJ-OPDFLTKYSA-N 2 2 299.415 0.502 20 0 CCADLP CCN1CCC[C@H]([NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)C1 ZINC000252961624 352527836 /nfs/dbraw/zinc/52/78/36/352527836.db2.gz OGWRNMAMDUKLFS-HZSPNIEDSA-N 2 2 255.406 0.827 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000253164604 352529371 /nfs/dbraw/zinc/52/93/71/352529371.db2.gz YEDJMFKYNDMTPO-IJLUTSLNSA-N 2 2 250.346 0.776 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)[C@H](C)[NH+]1CCOCC1 ZINC000262683524 352589868 /nfs/dbraw/zinc/58/98/68/352589868.db2.gz ZATLJXYXQUJQBR-WUHRBBMRSA-N 2 2 269.389 0.339 20 0 CCADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)NC1CCCC1 ZINC000261588708 352561940 /nfs/dbraw/zinc/56/19/40/352561940.db2.gz VWLYCYSBFRLCEJ-WCQYABFASA-N 2 2 251.374 0.729 20 0 CCADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)NC1CCCC1 ZINC000261588708 352561941 /nfs/dbraw/zinc/56/19/41/352561941.db2.gz VWLYCYSBFRLCEJ-WCQYABFASA-N 2 2 251.374 0.729 20 0 CCADLP O=C(CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)N1CC[NH2+]CC1 ZINC000262029746 352571127 /nfs/dbraw/zinc/57/11/27/352571127.db2.gz GUGSBWOJJREGMG-CYBMUJFWSA-N 3 2 291.399 0.411 20 0 CCADLP O=C(CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)N1CC[NH2+]CC1 ZINC000262029746 352571131 /nfs/dbraw/zinc/57/11/31/352571131.db2.gz GUGSBWOJJREGMG-CYBMUJFWSA-N 3 2 291.399 0.411 20 0 CCADLP COc1cc(N2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)ncn1 ZINC000262142915 352581659 /nfs/dbraw/zinc/58/16/59/352581659.db2.gz ZILNASBGDQRNMU-OAHLLOKOSA-N 2 2 291.399 0.607 20 0 CCADLP C[C@H](C[NH3+])NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000418518031 234150239 /nfs/dbraw/zinc/15/02/39/234150239.db2.gz WZLFMMQISISOCV-OLZOCXBDSA-N 2 2 291.399 0.817 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCSC[C@H]1C(N)=O ZINC000271595945 191232823 /nfs/dbraw/zinc/23/28/23/191232823.db2.gz SGUYMMLUAWFGNE-JTQLQIEISA-N 2 2 254.359 0.094 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCSC[C@H]1C(N)=O ZINC000271595945 191232824 /nfs/dbraw/zinc/23/28/24/191232824.db2.gz SGUYMMLUAWFGNE-JTQLQIEISA-N 2 2 254.359 0.094 20 0 CCADLP C[C@H](C(=O)N(C)Cc1[nH+]ccn1C)[NH+]1CCSCC1 ZINC000269701987 352865892 /nfs/dbraw/zinc/86/58/92/352865892.db2.gz RDYJGCLYVIRHLF-LLVKDONJSA-N 2 2 282.413 0.816 20 0 CCADLP CS[C@@H]1CN(Cc2[nH+]ccn2C)C[C@@H]1[NH+](C)C ZINC000270619386 352958302 /nfs/dbraw/zinc/95/83/02/352958302.db2.gz CYCQCNFBJJNKDR-WDEREUQCSA-N 2 2 254.403 0.898 20 0 CCADLP C[C@H](CCn1cccn1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000272404448 353060934 /nfs/dbraw/zinc/06/09/34/353060934.db2.gz XZBUEJWTVNIFAJ-KGLIPLIRSA-N 2 2 293.415 0.591 20 0 CCADLP C[C@H](CCn1cccn1)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000272404448 353060936 /nfs/dbraw/zinc/06/09/36/353060936.db2.gz XZBUEJWTVNIFAJ-KGLIPLIRSA-N 2 2 293.415 0.591 20 0 CCADLP C[C@H](CC(N)=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000272211854 353043772 /nfs/dbraw/zinc/04/37/72/353043772.db2.gz KSOAGAOWZVKHDV-YPMHNXCESA-N 2 2 291.399 0.898 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)NCCC[NH+]1CCOCC1 ZINC000271658762 191264702 /nfs/dbraw/zinc/26/47/02/191264702.db2.gz CWKRPJDFUJSQFN-UHFFFAOYSA-N 2 2 295.387 0.284 20 0 CCADLP CC(C)([NH3+])CN1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000346853803 535198972 /nfs/dbraw/zinc/19/89/72/535198972.db2.gz MVVYREDIKCYQHJ-UHFFFAOYSA-N 2 2 282.432 0.354 20 0 CCADLP Cc1cc(NC[C@@H](O)C[NH+]2CCOCC2)cc[nH+]1 ZINC000274353962 353122245 /nfs/dbraw/zinc/12/22/45/353122245.db2.gz LKBRGHFAKWMPTQ-CYBMUJFWSA-N 2 2 251.330 0.495 20 0 CCADLP CNC(=O)C1C[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000274503256 353135858 /nfs/dbraw/zinc/13/58/58/353135858.db2.gz IRINFCMKIGBXMU-UHFFFAOYSA-N 2 2 271.324 0.445 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)c1conc1C(C)(C)[NH3+] ZINC000655444829 412573032 /nfs/dbraw/zinc/57/30/32/412573032.db2.gz RTELSSXNWFDASE-JTQLQIEISA-N 2 2 296.371 0.319 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655444786 412573980 /nfs/dbraw/zinc/57/39/80/412573980.db2.gz QGJBNPMUXYKFBN-NFAWXSAZSA-N 2 2 281.400 0.213 20 0 CCADLP COc1cccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)n1 ZINC000276953630 353213019 /nfs/dbraw/zinc/21/30/19/353213019.db2.gz KIKZKRBVSVVIAR-ZDUSSCGKSA-N 2 2 265.357 0.637 20 0 CCADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc(=O)[nH][nH]1 ZINC000277404048 353242043 /nfs/dbraw/zinc/24/20/43/353242043.db2.gz ZQQXRGLZEIPXGB-UHFFFAOYSA-N 2 2 278.360 0.769 20 0 CCADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc(=O)[nH][nH]1 ZINC000277404048 353242047 /nfs/dbraw/zinc/24/20/47/353242047.db2.gz ZQQXRGLZEIPXGB-UHFFFAOYSA-N 2 2 278.360 0.769 20 0 CCADLP CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000155593907 188215878 /nfs/dbraw/zinc/21/58/78/188215878.db2.gz XWAFTMFCHPUJER-UHFFFAOYSA-N 2 2 278.356 0.705 20 0 CCADLP CC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000155593907 188215880 /nfs/dbraw/zinc/21/58/80/188215880.db2.gz XWAFTMFCHPUJER-UHFFFAOYSA-N 2 2 278.356 0.705 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(c2[nH+]cnc3[nH]ccc32)[C@H](C)C1 ZINC000277736974 353262381 /nfs/dbraw/zinc/26/23/81/353262381.db2.gz HSWVAXXXQGOSNO-GHMZBOCLSA-N 2 2 275.356 0.849 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(c2[nH+]cnc3[nH]ccc32)[C@H](C)C1 ZINC000277736974 353262383 /nfs/dbraw/zinc/26/23/83/353262383.db2.gz HSWVAXXXQGOSNO-GHMZBOCLSA-N 2 2 275.356 0.849 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)[NH+]1CCN(C)CC1 ZINC000655449735 412576230 /nfs/dbraw/zinc/57/62/30/412576230.db2.gz NFFIUWOSEQCGPR-IJEWVQPXSA-N 2 2 294.443 0.128 20 0 CCADLP CCC[NH+]1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000279772495 353314860 /nfs/dbraw/zinc/31/48/60/353314860.db2.gz BFHOGKKYMNAEIV-UHFFFAOYSA-N 2 2 264.373 0.907 20 0 CCADLP C[NH+](C)C[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000280135647 353340709 /nfs/dbraw/zinc/34/07/09/353340709.db2.gz CQCCYAOSOUSQRH-LBPRGKRZSA-N 2 2 250.346 0.895 20 0 CCADLP C[NH+](C)C[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000280135647 353340711 /nfs/dbraw/zinc/34/07/11/353340711.db2.gz CQCCYAOSOUSQRH-LBPRGKRZSA-N 2 2 250.346 0.895 20 0 CCADLP Cc1nc(NCC[N@@H+]2CCCC[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000531758168 358479181 /nfs/dbraw/zinc/47/91/81/358479181.db2.gz WAEAOZDXFRUGTP-NSHDSACASA-N 2 2 278.404 0.954 20 0 CCADLP C[C@@H](CCC[NH3+])NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655463970 412581718 /nfs/dbraw/zinc/58/17/18/412581718.db2.gz BQPBXHZTCMKFAH-QWRGUYRKSA-N 2 2 250.346 0.689 20 0 CCADLP O=C(NCCn1cc[nH+]c1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000287378449 353642289 /nfs/dbraw/zinc/64/22/89/353642289.db2.gz RKJOQLSTYWMJKF-CQSZACIVSA-N 2 2 292.383 0.500 20 0 CCADLP O=C(NCCn1cc[nH+]c1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000287378449 353642296 /nfs/dbraw/zinc/64/22/96/353642296.db2.gz RKJOQLSTYWMJKF-CQSZACIVSA-N 2 2 292.383 0.500 20 0 CCADLP OC[C@H]1CC[C@H](CO)[NH+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000287443666 353647018 /nfs/dbraw/zinc/64/70/18/353647018.db2.gz QFLPGYQKVAJAOH-ZIAGYGMSSA-N 2 2 288.351 0.585 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CC[NH+](CCC(=O)OC)C[C@H]1C ZINC000342325341 535246917 /nfs/dbraw/zinc/24/69/17/535246917.db2.gz XXZHTHYPZIWGOO-CYBMUJFWSA-N 2 2 299.415 0.424 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[NH+](CCC(=O)OC)C[C@H]1C ZINC000342325341 535246927 /nfs/dbraw/zinc/24/69/27/535246927.db2.gz XXZHTHYPZIWGOO-CYBMUJFWSA-N 2 2 299.415 0.424 20 0 CCADLP CCC[NH+](C)CC(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000342325341 535246931 /nfs/dbraw/zinc/24/69/31/535246931.db2.gz XXZHTHYPZIWGOO-CYBMUJFWSA-N 2 2 299.415 0.424 20 0 CCADLP CCC[NH+](C)CC(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000342325341 535246935 /nfs/dbraw/zinc/24/69/35/535246935.db2.gz XXZHTHYPZIWGOO-CYBMUJFWSA-N 2 2 299.415 0.424 20 0 CCADLP CCc1nocc1C[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000293466179 353813583 /nfs/dbraw/zinc/81/35/83/353813583.db2.gz QOLKDCSCLALSSY-UHFFFAOYSA-N 2 2 294.399 0.833 20 0 CCADLP CCc1nocc1C[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000293466179 353813587 /nfs/dbraw/zinc/81/35/87/353813587.db2.gz QOLKDCSCLALSSY-UHFFFAOYSA-N 2 2 294.399 0.833 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655467868 412583985 /nfs/dbraw/zinc/58/39/85/412583985.db2.gz OGAIAKOSCGIUJI-HIFRSBDPSA-N 2 2 281.400 0.167 20 0 CCADLP C[C@@H](O)CNc1cc(N2CC[C@@]3(CC[N@H+](C)C3)C2)nc[nH+]1 ZINC000299081988 353989420 /nfs/dbraw/zinc/98/94/20/353989420.db2.gz VVILDNILBQQNHS-IUODEOHRSA-N 2 2 291.399 0.801 20 0 CCADLP C[C@@H](O)CNc1cc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)nc[nH+]1 ZINC000299081988 353989425 /nfs/dbraw/zinc/98/94/25/353989425.db2.gz VVILDNILBQQNHS-IUODEOHRSA-N 2 2 291.399 0.801 20 0 CCADLP C[C@@H](O)CNc1cc(N2CC[C@@]3(CC[N@H+](C)C3)C2)[nH+]cn1 ZINC000299081988 353989427 /nfs/dbraw/zinc/98/94/27/353989427.db2.gz VVILDNILBQQNHS-IUODEOHRSA-N 2 2 291.399 0.801 20 0 CCADLP C[C@@H](O)CNc1cc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)[nH+]cn1 ZINC000299081988 353989429 /nfs/dbraw/zinc/98/94/29/353989429.db2.gz VVILDNILBQQNHS-IUODEOHRSA-N 2 2 291.399 0.801 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000299371278 354012525 /nfs/dbraw/zinc/01/25/25/354012525.db2.gz MNDZQCREZBPPAL-NEPJUHHUSA-N 2 2 267.377 0.911 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000305157578 354134939 /nfs/dbraw/zinc/13/49/39/354134939.db2.gz WEPUTIQFDWVIDD-MRXNPFEDSA-N 2 2 292.427 0.558 20 0 CCADLP C[NH+](C)C[C@H](O)CNC1CC[NH+](Cc2cccnc2)CC1 ZINC000305157578 354134942 /nfs/dbraw/zinc/13/49/42/354134942.db2.gz WEPUTIQFDWVIDD-MRXNPFEDSA-N 2 2 292.427 0.558 20 0 CCADLP COC(=O)[C@H](O)C1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000305734156 354157021 /nfs/dbraw/zinc/15/70/21/354157021.db2.gz OSIFAUAHBGHJBZ-GFCCVEGCSA-N 2 2 267.329 0.129 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCO[C@H](C)C1 ZINC000310967615 354194578 /nfs/dbraw/zinc/19/45/78/354194578.db2.gz BWPNGYZIBQFYPN-CHWSQXEVSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCO[C@H](C)C1 ZINC000310967615 354194579 /nfs/dbraw/zinc/19/45/79/354194579.db2.gz BWPNGYZIBQFYPN-CHWSQXEVSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCO[C@H](C)C1 ZINC000310967615 354194583 /nfs/dbraw/zinc/19/45/83/354194583.db2.gz BWPNGYZIBQFYPN-CHWSQXEVSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCO[C@H](C)C1 ZINC000310967615 354194585 /nfs/dbraw/zinc/19/45/85/354194585.db2.gz BWPNGYZIBQFYPN-CHWSQXEVSA-N 2 2 260.378 0.036 20 0 CCADLP C[NH+](C)CC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000328635839 354243394 /nfs/dbraw/zinc/24/33/94/354243394.db2.gz NQRASIZHPYQWTP-CYBMUJFWSA-N 2 2 269.389 0.117 20 0 CCADLP C[NH+](C)CC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000328635839 354243397 /nfs/dbraw/zinc/24/33/97/354243397.db2.gz NQRASIZHPYQWTP-CYBMUJFWSA-N 2 2 269.389 0.117 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)CCO1 ZINC000314111404 354221665 /nfs/dbraw/zinc/22/16/65/354221665.db2.gz KEUCDWVQDCERIK-LBPRGKRZSA-N 2 2 267.329 0.227 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)CCO1 ZINC000314111404 354221666 /nfs/dbraw/zinc/22/16/66/354221666.db2.gz KEUCDWVQDCERIK-LBPRGKRZSA-N 2 2 267.329 0.227 20 0 CCADLP CC(C)(CC[NH3+])NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655480238 412587306 /nfs/dbraw/zinc/58/73/06/412587306.db2.gz SZEORCWFMMRHIR-JTQLQIEISA-N 2 2 250.346 0.689 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000557188553 291025770 /nfs/dbraw/zinc/02/57/70/291025770.db2.gz WWTWKDFBCDTSIK-UHFFFAOYSA-N 2 2 273.340 0.812 20 0 CCADLP C[NH+](C)CC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000330500444 354382243 /nfs/dbraw/zinc/38/22/43/354382243.db2.gz OWYAVYHJLVMUPI-UHFFFAOYSA-N 2 2 264.251 0.623 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCOCC2CCCC2)[C@H](C[NH3+])C1 ZINC000557232548 291028396 /nfs/dbraw/zinc/02/83/96/291028396.db2.gz YMFHZYHPILMEQX-CQSZACIVSA-N 2 2 298.431 0.478 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1[nH+]ccn1C ZINC000330554924 354409172 /nfs/dbraw/zinc/40/91/72/354409172.db2.gz YYJKPPPCHRJDIK-NSHDSACASA-N 2 2 250.346 0.911 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)NCc1[nH+]ccn1C ZINC000330554924 354409176 /nfs/dbraw/zinc/40/91/76/354409176.db2.gz YYJKPPPCHRJDIK-NSHDSACASA-N 2 2 250.346 0.911 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000271757185 191308108 /nfs/dbraw/zinc/30/81/08/191308108.db2.gz ZWSMUONUTKIQDX-UHFFFAOYSA-N 2 2 296.371 0.227 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000271757185 191308110 /nfs/dbraw/zinc/30/81/10/191308110.db2.gz ZWSMUONUTKIQDX-UHFFFAOYSA-N 2 2 296.371 0.227 20 0 CCADLP C[C@H](CNC(=O)C1([NH3+])CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655489292 412593056 /nfs/dbraw/zinc/59/30/56/412593056.db2.gz OJNPAJQYAMINDU-MXWKQRLJSA-N 2 2 255.362 0.092 20 0 CCADLP Cc1nc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc[nH+]1 ZINC000608082648 363400233 /nfs/dbraw/zinc/40/02/33/363400233.db2.gz ISWIUKKFHLWJCP-STQMWFEESA-N 2 2 262.357 0.820 20 0 CCADLP Cc1nc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)nc(N(C)C)[nH+]1 ZINC000532014876 358490651 /nfs/dbraw/zinc/49/06/51/358490651.db2.gz DASMGXJLFWROGW-VXGBXAGGSA-N 2 2 276.388 0.707 20 0 CCADLP Cc1nc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)nc(N(C)C)[nH+]1 ZINC000532014876 358490654 /nfs/dbraw/zinc/49/06/54/358490654.db2.gz DASMGXJLFWROGW-VXGBXAGGSA-N 2 2 276.388 0.707 20 0 CCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[NH+](CC2CC2)CC1 ZINC000334500156 354877282 /nfs/dbraw/zinc/87/72/82/354877282.db2.gz QDTRZCWFLVHUMT-AWEZNQCLSA-N 2 2 288.395 1.000 20 0 CCADLP COC[C@@]1(CNC(=O)c2c[nH+]c(C)[nH]2)CCC[NH2+]1 ZINC000423641231 235025681 /nfs/dbraw/zinc/02/56/81/235025681.db2.gz WLRGVZGIPWBYEJ-LBPRGKRZSA-N 2 2 252.318 0.217 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000335110674 354964652 /nfs/dbraw/zinc/96/46/52/354964652.db2.gz KIDOUMKDUAHNMI-LLVKDONJSA-N 2 2 275.343 0.784 20 0 CCADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000335153531 354974503 /nfs/dbraw/zinc/97/45/03/354974503.db2.gz BJZSBJZUSYOTTA-JQWIXIFHSA-N 2 2 273.340 0.965 20 0 CCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)CCc1c[nH+]cn1C ZINC000335858244 355029851 /nfs/dbraw/zinc/02/98/51/355029851.db2.gz OWYIZTWVZBIAQW-LLVKDONJSA-N 2 2 250.346 0.515 20 0 CCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)CCc1c[nH+]cn1C ZINC000335858244 355029855 /nfs/dbraw/zinc/02/98/55/355029855.db2.gz OWYIZTWVZBIAQW-LLVKDONJSA-N 2 2 250.346 0.515 20 0 CCADLP C[C@@H]([NH3+])C1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000335765852 355007277 /nfs/dbraw/zinc/00/72/77/355007277.db2.gz DUKDXDBHBMTERT-PSASIEDQSA-N 2 2 261.316 0.569 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C[C@H](C)O1 ZINC000423761670 235063718 /nfs/dbraw/zinc/06/37/18/235063718.db2.gz MPLNOCWRNWUXDO-RQJABVFESA-N 2 2 299.415 0.060 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@H]2CC[C@H](C[NH3+])O2)C[C@H](C)O1 ZINC000423761670 235063721 /nfs/dbraw/zinc/06/37/21/235063721.db2.gz MPLNOCWRNWUXDO-RQJABVFESA-N 2 2 299.415 0.060 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000423762989 235065576 /nfs/dbraw/zinc/06/55/76/235065576.db2.gz PDPQYVKNDBRVBS-APIJFGDWSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000423762989 235065581 /nfs/dbraw/zinc/06/55/81/235065581.db2.gz PDPQYVKNDBRVBS-APIJFGDWSA-N 2 2 297.443 0.942 20 0 CCADLP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCn2c[nH+]cc2C1 ZINC000336023327 355074787 /nfs/dbraw/zinc/07/47/87/355074787.db2.gz CRLCOWIFKHVTPY-GFCCVEGCSA-N 2 2 289.383 0.893 20 0 CCADLP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCn2c[nH+]cc2C1 ZINC000336023327 355074789 /nfs/dbraw/zinc/07/47/89/355074789.db2.gz CRLCOWIFKHVTPY-GFCCVEGCSA-N 2 2 289.383 0.893 20 0 CCADLP O=C(C[C@H]1CCC[NH2+]1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000423805126 235086514 /nfs/dbraw/zinc/08/65/14/235086514.db2.gz SGEOEBIQJPMJAC-CHWSQXEVSA-N 2 2 274.368 0.919 20 0 CCADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000335974662 355064320 /nfs/dbraw/zinc/06/43/20/355064320.db2.gz SNBDVSJUJYYBPD-QWRGUYRKSA-N 2 2 250.346 0.893 20 0 CCADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000335974662 355064321 /nfs/dbraw/zinc/06/43/21/355064321.db2.gz SNBDVSJUJYYBPD-QWRGUYRKSA-N 2 2 250.346 0.893 20 0 CCADLP O=C(NCc1ccn2cc[nH+]c2c1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000336597283 355118452 /nfs/dbraw/zinc/11/84/52/355118452.db2.gz WREGTXMDCXWLIC-DOMZBBRYSA-N 2 2 270.336 0.950 20 0 CCADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CCc1c[nH+]cn1C ZINC000336131058 355099206 /nfs/dbraw/zinc/09/92/06/355099206.db2.gz GRUAMBCAHUDWFY-RYUDHWBXSA-N 2 2 264.373 0.904 20 0 CCADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CCc1c[nH+]cn1C ZINC000336131058 355099209 /nfs/dbraw/zinc/09/92/09/355099209.db2.gz GRUAMBCAHUDWFY-RYUDHWBXSA-N 2 2 264.373 0.904 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCSC[C@H]1CCO)C1CC1 ZINC000336794014 355166818 /nfs/dbraw/zinc/16/68/18/355166818.db2.gz ZIEKZNXZEYCMPH-OLZOCXBDSA-N 2 2 274.430 0.241 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCSC[C@H]1CCO)C1CC1 ZINC000336794014 355166821 /nfs/dbraw/zinc/16/68/21/355166821.db2.gz ZIEKZNXZEYCMPH-OLZOCXBDSA-N 2 2 274.430 0.241 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCSC[C@H]1CCO)C1CC1 ZINC000336794014 355166824 /nfs/dbraw/zinc/16/68/24/355166824.db2.gz ZIEKZNXZEYCMPH-OLZOCXBDSA-N 2 2 274.430 0.241 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCSC[C@H]1CCO)C1CC1 ZINC000336794014 355166826 /nfs/dbraw/zinc/16/68/26/355166826.db2.gz ZIEKZNXZEYCMPH-OLZOCXBDSA-N 2 2 274.430 0.241 20 0 CCADLP CN(C)c1nc(N2CC[NH+](C[C@@H]3CCOC3)CC2)cc[nH+]1 ZINC000336835500 355208581 /nfs/dbraw/zinc/20/85/81/355208581.db2.gz JENCKXUCZXKVGP-ZDUSSCGKSA-N 2 2 291.399 0.701 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+](C[C@@H]3COCCO3)CC2)c1 ZINC000336840608 355211486 /nfs/dbraw/zinc/21/14/86/355211486.db2.gz XDEQDOSSLSFPQD-CQSZACIVSA-N 2 2 293.367 0.628 20 0 CCADLP O=C(COC1CC[NH2+]CC1)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424172708 235168574 /nfs/dbraw/zinc/16/85/74/235168574.db2.gz DFUPWKDAOAEVRS-JTQLQIEISA-N 2 2 291.342 0.116 20 0 CCADLP COC(=O)C(C)(C)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000336807289 355182935 /nfs/dbraw/zinc/18/29/35/355182935.db2.gz IEXJEOFAIPTHFH-UHFFFAOYSA-N 2 2 268.361 0.775 20 0 CCADLP Cn1cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)nn1 ZINC000336845548 355214943 /nfs/dbraw/zinc/21/49/43/355214943.db2.gz ZHXLTISAAZLHMU-UHFFFAOYSA-N 2 2 293.415 0.749 20 0 CCADLP Cc1ccnc(C[N@H+](C)CCCN2CC[NH+](C)CC2)n1 ZINC000336820505 355194718 /nfs/dbraw/zinc/19/47/18/355194718.db2.gz DETGRRGOFZUMHR-UHFFFAOYSA-N 2 2 277.416 0.854 20 0 CCADLP Cc1ccnc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)n1 ZINC000336820505 355194722 /nfs/dbraw/zinc/19/47/22/355194722.db2.gz DETGRRGOFZUMHR-UHFFFAOYSA-N 2 2 277.416 0.854 20 0 CCADLP O=C1NCCC[C@H]1[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000336825825 355200063 /nfs/dbraw/zinc/20/00/63/355200063.db2.gz ZVJVHUUKUFXWNM-ZIAGYGMSSA-N 2 2 281.400 0.309 20 0 CCADLP O=C1NCCC[C@H]1[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000336825825 355200066 /nfs/dbraw/zinc/20/00/66/355200066.db2.gz ZVJVHUUKUFXWNM-ZIAGYGMSSA-N 2 2 281.400 0.309 20 0 CCADLP C[C@H](O)CC[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000336826597 355201135 /nfs/dbraw/zinc/20/11/35/355201135.db2.gz RPVXAYDRNCENDP-LBPRGKRZSA-N 2 2 279.388 0.436 20 0 CCADLP CCC[N@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CC(=O)N(C)C1=O ZINC000338322610 355320627 /nfs/dbraw/zinc/32/06/27/355320627.db2.gz KWCTVSQKJRBHGP-OLZOCXBDSA-N 2 2 281.400 0.940 20 0 CCADLP CCC[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CC(=O)N(C)C1=O ZINC000338322610 355320631 /nfs/dbraw/zinc/32/06/31/355320631.db2.gz KWCTVSQKJRBHGP-OLZOCXBDSA-N 2 2 281.400 0.940 20 0 CCADLP CCC[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H]1CC(=O)N(C)C1=O ZINC000338322610 355320637 /nfs/dbraw/zinc/32/06/37/355320637.db2.gz KWCTVSQKJRBHGP-OLZOCXBDSA-N 2 2 281.400 0.940 20 0 CCADLP CCC[NH+](CC[C@H]1CCC[N@H+]1C)[C@H]1CC(=O)N(C)C1=O ZINC000338322610 355320643 /nfs/dbraw/zinc/32/06/43/355320643.db2.gz KWCTVSQKJRBHGP-OLZOCXBDSA-N 2 2 281.400 0.940 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCN1CC[NH+](C)CC1(C)C ZINC000337190525 355281709 /nfs/dbraw/zinc/28/17/09/355281709.db2.gz SOYIJPDTOFNPQL-ZDUSSCGKSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@H]1COCC[N@H+]1CCN1CC[NH+](C)CC1(C)C ZINC000337190525 355281712 /nfs/dbraw/zinc/28/17/12/355281712.db2.gz SOYIJPDTOFNPQL-ZDUSSCGKSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@H]1COCC[NH+]1CCN1CC[N@H+](C)CC1(C)C ZINC000337190525 355281717 /nfs/dbraw/zinc/28/17/17/355281717.db2.gz SOYIJPDTOFNPQL-ZDUSSCGKSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@H]1COCC[NH+]1CCN1CC[N@@H+](C)CC1(C)C ZINC000337190525 355281720 /nfs/dbraw/zinc/28/17/20/355281720.db2.gz SOYIJPDTOFNPQL-ZDUSSCGKSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCC1=O ZINC000338569414 355369734 /nfs/dbraw/zinc/36/97/34/355369734.db2.gz DJDUAHLBZMTPKX-GFCCVEGCSA-N 2 2 267.373 0.061 20 0 CCADLP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCC1=O ZINC000338569414 355369738 /nfs/dbraw/zinc/36/97/38/355369738.db2.gz DJDUAHLBZMTPKX-GFCCVEGCSA-N 2 2 267.373 0.061 20 0 CCADLP C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1c[nH+]c(N(C)C)n1C ZINC000425375380 235290194 /nfs/dbraw/zinc/29/01/94/235290194.db2.gz ZHSGLDQOTQYNAF-DGCLKSJQSA-N 2 2 282.388 0.458 20 0 CCADLP C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1c[nH+]c(N(C)C)n1C ZINC000425375380 235290196 /nfs/dbraw/zinc/29/01/96/235290196.db2.gz ZHSGLDQOTQYNAF-DGCLKSJQSA-N 2 2 282.388 0.458 20 0 CCADLP c1nn[nH]c1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000340285125 355547813 /nfs/dbraw/zinc/54/78/13/355547813.db2.gz GSKTXDYSUTVTGD-UHFFFAOYSA-N 2 2 265.361 0.349 20 0 CCADLP c1[nH]nnc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000340285125 355547817 /nfs/dbraw/zinc/54/78/17/355547817.db2.gz GSKTXDYSUTVTGD-UHFFFAOYSA-N 2 2 265.361 0.349 20 0 CCADLP CN1C[C@H](C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)OC1=O ZINC000496431563 283106923 /nfs/dbraw/zinc/10/69/23/283106923.db2.gz GDYXHDZAVZEZQQ-DGCLKSJQSA-N 2 2 253.346 0.465 20 0 CCADLP CN1C[C@H](C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)OC1=O ZINC000496431563 283106926 /nfs/dbraw/zinc/10/69/26/283106926.db2.gz GDYXHDZAVZEZQQ-DGCLKSJQSA-N 2 2 253.346 0.465 20 0 CCADLP CN1C[C@H](C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)OC1=O ZINC000496431563 283106932 /nfs/dbraw/zinc/10/69/32/283106932.db2.gz GDYXHDZAVZEZQQ-DGCLKSJQSA-N 2 2 253.346 0.465 20 0 CCADLP CN1C[C@H](C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)OC1=O ZINC000496431563 283106939 /nfs/dbraw/zinc/10/69/39/283106939.db2.gz GDYXHDZAVZEZQQ-DGCLKSJQSA-N 2 2 253.346 0.465 20 0 CCADLP C[C@H](Cn1cncn1)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425360662 235289022 /nfs/dbraw/zinc/28/90/22/235289022.db2.gz SPQUFJDBSPKKRW-SNVBAGLBSA-N 2 2 263.349 0.256 20 0 CCADLP [NH3+]C[C@H](NC(=O)[C@H]([NH3+])c1c(F)cccc1F)C(F)(F)F ZINC000655519213 412611057 /nfs/dbraw/zinc/61/10/57/412611057.db2.gz PXSMYSNBALBHDK-IONNQARKSA-N 2 2 297.227 0.970 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1nccn1C ZINC000341699781 355717544 /nfs/dbraw/zinc/71/75/44/355717544.db2.gz ZSPLTPSINXYWBK-OLZOCXBDSA-N 2 2 265.405 0.707 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCC[NH2+][C@H]1C)[NH+]1CCOCC1 ZINC000342766524 355742042 /nfs/dbraw/zinc/74/20/42/355742042.db2.gz VRCJQYMBRXZSFZ-RWMBFGLXSA-N 2 2 269.389 0.211 20 0 CCADLP CC[C@@H](C(=O)NCC[N@@H+]1CCOC[C@@H]1C)[NH+](CC)CC ZINC000345407127 355818481 /nfs/dbraw/zinc/81/84/81/355818481.db2.gz DJFSWMREENQWPZ-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP CC[C@@H](C(=O)NCC[N@H+]1CCOC[C@@H]1C)[NH+](CC)CC ZINC000345407127 355818486 /nfs/dbraw/zinc/81/84/86/355818486.db2.gz DJFSWMREENQWPZ-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000348338238 355915198 /nfs/dbraw/zinc/91/51/98/355915198.db2.gz VDXYSLNNDHUEJJ-PWSUYJOCSA-N 2 2 263.341 0.904 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000348338238 355915203 /nfs/dbraw/zinc/91/52/03/355915203.db2.gz VDXYSLNNDHUEJJ-PWSUYJOCSA-N 2 2 263.341 0.904 20 0 CCADLP CCCCNC(=O)CC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000348484067 355938684 /nfs/dbraw/zinc/93/86/84/355938684.db2.gz KPQLMPURCLEJKE-UHFFFAOYSA-N 2 2 293.415 0.849 20 0 CCADLP CN(C)C(=O)NCC[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000348953515 355986797 /nfs/dbraw/zinc/98/67/97/355986797.db2.gz YGQVWKAQHXLBHD-GFCCVEGCSA-N 2 2 256.394 0.674 20 0 CCADLP CN(C)C(=O)NCC[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000348953515 355986799 /nfs/dbraw/zinc/98/67/99/355986799.db2.gz YGQVWKAQHXLBHD-GFCCVEGCSA-N 2 2 256.394 0.674 20 0 CCADLP CN(C)C(=O)NCC[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000348953515 355986801 /nfs/dbraw/zinc/98/68/01/355986801.db2.gz YGQVWKAQHXLBHD-GFCCVEGCSA-N 2 2 256.394 0.674 20 0 CCADLP CN(C)C(=O)NCC[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000348953515 355986804 /nfs/dbraw/zinc/98/68/04/355986804.db2.gz YGQVWKAQHXLBHD-GFCCVEGCSA-N 2 2 256.394 0.674 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCO[C@H](C(N)=O)C1 ZINC000351640197 356003873 /nfs/dbraw/zinc/00/38/73/356003873.db2.gz TVLFBTJWNXSHEP-RYUDHWBXSA-N 2 2 255.362 0.047 20 0 CCADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCO[C@H](C(N)=O)C1 ZINC000351640197 356003877 /nfs/dbraw/zinc/00/38/77/356003877.db2.gz TVLFBTJWNXSHEP-RYUDHWBXSA-N 2 2 255.362 0.047 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000351640197 356003882 /nfs/dbraw/zinc/00/38/82/356003882.db2.gz TVLFBTJWNXSHEP-RYUDHWBXSA-N 2 2 255.362 0.047 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000351640197 356003887 /nfs/dbraw/zinc/00/38/87/356003887.db2.gz TVLFBTJWNXSHEP-RYUDHWBXSA-N 2 2 255.362 0.047 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)NCC[N@@H+](C)C1CC1 ZINC000352729640 356064864 /nfs/dbraw/zinc/06/48/64/356064864.db2.gz AEAMVQPHRIDWCE-UHFFFAOYSA-N 2 2 284.404 0.054 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)NCC[N@H+](C)C1CC1 ZINC000352729640 356064857 /nfs/dbraw/zinc/06/48/57/356064857.db2.gz AEAMVQPHRIDWCE-UHFFFAOYSA-N 2 2 284.404 0.054 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)[C@H]2CCC[C@H]21 ZINC000353432931 283137870 /nfs/dbraw/zinc/13/78/70/283137870.db2.gz DQASPKQQMULJSF-RFQIPJPRSA-N 2 2 286.441 0.884 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)[C@H]2CCC[C@H]21 ZINC000353432931 283137872 /nfs/dbraw/zinc/13/78/72/283137872.db2.gz DQASPKQQMULJSF-RFQIPJPRSA-N 2 2 286.441 0.884 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cnn(CC(F)F)c2)C1 ZINC000352917771 356112042 /nfs/dbraw/zinc/11/20/42/356112042.db2.gz YPZFHMDJDFCMCE-LBPRGKRZSA-N 2 2 274.315 0.304 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cnn(CC(F)F)c2)C1 ZINC000352917771 356112045 /nfs/dbraw/zinc/11/20/45/356112045.db2.gz YPZFHMDJDFCMCE-LBPRGKRZSA-N 2 2 274.315 0.304 20 0 CCADLP C[NH+](C)Cc1cnc(C[NH2+][C@@]2(CO)CCOC2)s1 ZINC000352730942 356066382 /nfs/dbraw/zinc/06/63/82/356066382.db2.gz HMQGTTFWETXLJS-GFCCVEGCSA-N 2 2 271.386 0.446 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000353132846 356161684 /nfs/dbraw/zinc/16/16/84/356161684.db2.gz DBSGMGLHTRVGDT-MGPQQGTHSA-N 2 2 286.441 0.980 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000353132846 356161687 /nfs/dbraw/zinc/16/16/87/356161687.db2.gz DBSGMGLHTRVGDT-MGPQQGTHSA-N 2 2 286.441 0.980 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000353132846 356161695 /nfs/dbraw/zinc/16/16/95/356161695.db2.gz DBSGMGLHTRVGDT-MGPQQGTHSA-N 2 2 286.441 0.980 20 0 CCADLP CO[C@H](C[NH3+])C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000353424479 356218648 /nfs/dbraw/zinc/21/86/48/356218648.db2.gz HHYHSSZBHSOWPV-NXEZZACHSA-N 2 2 252.318 0.089 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)NCCCCNc1cccc[nH+]1 ZINC000353468618 356230365 /nfs/dbraw/zinc/23/03/65/356230365.db2.gz OWBFGRMKJQBQEF-NSHDSACASA-N 2 2 266.345 0.364 20 0 CCADLP COCCn1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cn1 ZINC000353570321 356251105 /nfs/dbraw/zinc/25/11/05/356251105.db2.gz PLDRZQNLNXRMSL-ZDUSSCGKSA-N 2 2 266.389 0.913 20 0 CCADLP COCCn1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cn1 ZINC000353570321 356251107 /nfs/dbraw/zinc/25/11/07/356251107.db2.gz PLDRZQNLNXRMSL-ZDUSSCGKSA-N 2 2 266.389 0.913 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)[C@H]([NH3+])c2ccccc2)n1C ZINC000353697449 356275838 /nfs/dbraw/zinc/27/58/38/356275838.db2.gz CYSPTXHTYGGKOP-CYBMUJFWSA-N 2 2 287.367 0.802 20 0 CCADLP COCC[NH+]1CCC([NH2+]CC(=O)NCC(F)F)CC1 ZINC000360920672 138015883 /nfs/dbraw/zinc/01/58/83/138015883.db2.gz ALKNSXRXJHPMOZ-UHFFFAOYSA-N 2 2 279.331 0.068 20 0 CCADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CC[C@H](CO)O2)s1 ZINC000353709005 356277945 /nfs/dbraw/zinc/27/79/45/356277945.db2.gz RSUPZPOYJPWNTJ-GHMZBOCLSA-N 2 2 285.413 0.834 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCCCOC)C[C@H]1C ZINC000362184996 138049723 /nfs/dbraw/zinc/04/97/23/138049723.db2.gz UWVPNBBLAUEVRU-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCCCOC)C[C@H]1C ZINC000362184996 138049724 /nfs/dbraw/zinc/04/97/24/138049724.db2.gz UWVPNBBLAUEVRU-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCCCOC)C[C@H]1C ZINC000362184996 138049725 /nfs/dbraw/zinc/04/97/25/138049725.db2.gz UWVPNBBLAUEVRU-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCCCOC)C[C@H]1C ZINC000362184996 138049726 /nfs/dbraw/zinc/04/97/26/138049726.db2.gz UWVPNBBLAUEVRU-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP COC[C@H]([NH3+])C(=O)NCCCCNc1cccc[nH+]1 ZINC000354064234 356338871 /nfs/dbraw/zinc/33/88/71/356338871.db2.gz LQRVIJITRDWBGU-NSHDSACASA-N 2 2 266.345 0.364 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)NCCn2cc[nH+]c2)CC[N@@H+]1C ZINC000361857483 138036903 /nfs/dbraw/zinc/03/69/03/138036903.db2.gz AWDONYQFEKWSFI-RYUDHWBXSA-N 2 2 265.361 0.665 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)NCCn2cc[nH+]c2)CC[N@H+]1C ZINC000361857483 138036904 /nfs/dbraw/zinc/03/69/04/138036904.db2.gz AWDONYQFEKWSFI-RYUDHWBXSA-N 2 2 265.361 0.665 20 0 CCADLP C[C@H](C(=O)N(C)CC[N@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000354081248 356344625 /nfs/dbraw/zinc/34/46/25/356344625.db2.gz CAKWVHTYZITVSF-GFCCVEGCSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@H](C(=O)N(C)CC[N@@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000354081248 356344628 /nfs/dbraw/zinc/34/46/28/356344628.db2.gz CAKWVHTYZITVSF-GFCCVEGCSA-N 2 2 269.389 0.260 20 0 CCADLP COC(=O)C[C@@]1([NH2+]CCCn2cc[nH+]c2)CCOC1 ZINC000362262636 138052605 /nfs/dbraw/zinc/05/26/05/138052605.db2.gz NTKACQYZTGNOIR-ZDUSSCGKSA-N 2 2 267.329 0.585 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC000362676600 138069465 /nfs/dbraw/zinc/06/94/65/138069465.db2.gz VSHHZLFRUMQOMX-AWEZNQCLSA-N 2 2 281.400 0.309 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CC2CCOCC2)C1 ZINC000362676600 138069466 /nfs/dbraw/zinc/06/94/66/138069466.db2.gz VSHHZLFRUMQOMX-AWEZNQCLSA-N 2 2 281.400 0.309 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)CC1CC[NH+](C)CC1 ZINC000362722623 138071581 /nfs/dbraw/zinc/07/15/81/138071581.db2.gz GXIJCGURVHMUAQ-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)CC1CC[NH+](C)CC1 ZINC000362722623 138071582 /nfs/dbraw/zinc/07/15/82/138071582.db2.gz GXIJCGURVHMUAQ-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CC1CC[NH+](C)CC1 ZINC000362722622 138071614 /nfs/dbraw/zinc/07/16/14/138071614.db2.gz GXIJCGURVHMUAQ-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)CC1CC[NH+](C)CC1 ZINC000362722622 138071615 /nfs/dbraw/zinc/07/16/15/138071615.db2.gz GXIJCGURVHMUAQ-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP Cn1cccc1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000363245042 138088327 /nfs/dbraw/zinc/08/83/27/138088327.db2.gz DRIWXXAVMXWDSM-OAHLLOKOSA-N 2 2 292.427 0.521 20 0 CCADLP COC[C@H](C)NC(=[NH2+])NCCc1cn2c([nH+]1)CCCC2 ZINC000363483969 138090856 /nfs/dbraw/zinc/09/08/56/138090856.db2.gz OZLAUSXMDYYFIR-NSHDSACASA-N 2 2 279.388 0.911 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000363192785 138087306 /nfs/dbraw/zinc/08/73/06/138087306.db2.gz NZURLJINLUJVSB-ZDUSSCGKSA-N 2 2 262.357 0.970 20 0 CCADLP Cc1ccc(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)c(C)[nH+]1 ZINC000354683376 356472229 /nfs/dbraw/zinc/47/22/29/356472229.db2.gz WFOYHASTAJCLIH-CYBMUJFWSA-N 2 2 290.367 0.895 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000372102060 535331887 /nfs/dbraw/zinc/33/18/87/535331887.db2.gz MEYQACKBYMHPIL-AWEZNQCLSA-N 2 2 287.379 0.257 20 0 CCADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000356202060 356722333 /nfs/dbraw/zinc/72/23/33/356722333.db2.gz SGHCIAOYEKPPRM-ZDUSSCGKSA-N 2 2 285.432 0.944 20 0 CCADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000356626040 356765045 /nfs/dbraw/zinc/76/50/45/356765045.db2.gz IRRULEIPEQLCOC-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000356626040 356765051 /nfs/dbraw/zinc/76/50/51/356765051.db2.gz IRRULEIPEQLCOC-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000359276841 356792263 /nfs/dbraw/zinc/79/22/63/356792263.db2.gz RWGSRVIBBFKCRS-QWHCGFSZSA-N 2 2 271.405 0.554 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000359276841 356792264 /nfs/dbraw/zinc/79/22/64/356792264.db2.gz RWGSRVIBBFKCRS-QWHCGFSZSA-N 2 2 271.405 0.554 20 0 CCADLP CN(C)C(=O)[C@H](c1ccccc1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359297786 356796810 /nfs/dbraw/zinc/79/68/10/356796810.db2.gz FMHABEWCCZKHIO-KFWWJZLASA-N 2 2 273.380 0.967 20 0 CCADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)NCc1cc(F)cc(F)c1 ZINC000359301991 356798063 /nfs/dbraw/zinc/79/80/63/356798063.db2.gz IPJDKYQCZKARJL-VXGBXAGGSA-N 2 2 295.333 0.732 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC000359387038 356812763 /nfs/dbraw/zinc/81/27/63/356812763.db2.gz JMSGJFYNQMWIBA-UHFFFAOYSA-N 2 2 263.301 0.400 20 0 CCADLP CN(C)c1ncc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000359454797 356824998 /nfs/dbraw/zinc/82/49/98/356824998.db2.gz IJKXVEJBLJMKET-AOOOYVTPSA-N 2 2 252.387 0.860 20 0 CCADLP CN(C)c1ncc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000359454797 356825000 /nfs/dbraw/zinc/82/50/00/356825000.db2.gz IJKXVEJBLJMKET-AOOOYVTPSA-N 2 2 252.387 0.860 20 0 CCADLP COCCn1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000359477118 356828712 /nfs/dbraw/zinc/82/87/12/356828712.db2.gz VMTPDCYQRGXCLN-BETUJISGSA-N 2 2 250.346 0.181 20 0 CCADLP COCCn1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000359477118 356828715 /nfs/dbraw/zinc/82/87/15/356828715.db2.gz VMTPDCYQRGXCLN-BETUJISGSA-N 2 2 250.346 0.181 20 0 CCADLP C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000359774170 356889476 /nfs/dbraw/zinc/88/94/76/356889476.db2.gz MFWSVMQXCPOVJO-JHJVBQTASA-N 2 2 269.389 0.116 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@H]1CSC[NH2+]1 ZINC000360175241 356964381 /nfs/dbraw/zinc/96/43/81/356964381.db2.gz IUZNFMFLTPUWSE-SNVBAGLBSA-N 2 2 268.386 0.818 20 0 CCADLP CN1C[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1=O ZINC000655704917 412647556 /nfs/dbraw/zinc/64/75/56/412647556.db2.gz QFFFPFQJEMSXHC-QWHCGFSZSA-N 2 2 267.373 0.060 20 0 CCADLP Cc1cc([C@@H]2CCC[N@H+]2CC(=O)N2CC[NH+](C)CC2)on1 ZINC000329151520 202207185 /nfs/dbraw/zinc/20/71/85/202207185.db2.gz SLKXUWAAPCIWPQ-ZDUSSCGKSA-N 2 2 292.383 0.894 20 0 CCADLP Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)N2CC[NH+](C)CC2)on1 ZINC000329151520 202207187 /nfs/dbraw/zinc/20/71/87/202207187.db2.gz SLKXUWAAPCIWPQ-ZDUSSCGKSA-N 2 2 292.383 0.894 20 0 CCADLP C[C@@H](C(=O)NCC[N@H+]1CC[C@H](C)C1)[NH+]1CCSCC1 ZINC000532763761 358513362 /nfs/dbraw/zinc/51/33/62/358513362.db2.gz LACWYGJHBVTVET-STQMWFEESA-N 2 2 285.457 0.882 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)C[C@H]21 ZINC000360830253 357042057 /nfs/dbraw/zinc/04/20/57/357042057.db2.gz DTMQUYCHSLJXPM-DBIOUOCHSA-N 2 2 273.327 0.569 20 0 CCADLP C[N@H+](C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1)[C@H]1COC[C@@H]1O ZINC000361381536 357046493 /nfs/dbraw/zinc/04/64/93/357046493.db2.gz OJDFWDZMOUUVCJ-YHUYYLMFSA-N 2 2 291.395 0.766 20 0 CCADLP C[N@@H+](C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1)[C@H]1COC[C@@H]1O ZINC000361381536 357046494 /nfs/dbraw/zinc/04/64/94/357046494.db2.gz OJDFWDZMOUUVCJ-YHUYYLMFSA-N 2 2 291.395 0.766 20 0 CCADLP C[NH+](C[C@@H]1CC[N@H+](C)[C@@H]1c1cccnc1)[C@H]1COC[C@@H]1O ZINC000361381536 357046495 /nfs/dbraw/zinc/04/64/95/357046495.db2.gz OJDFWDZMOUUVCJ-YHUYYLMFSA-N 2 2 291.395 0.766 20 0 CCADLP C[NH+](C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccnc1)[C@H]1COC[C@@H]1O ZINC000361381536 357046496 /nfs/dbraw/zinc/04/64/96/357046496.db2.gz OJDFWDZMOUUVCJ-YHUYYLMFSA-N 2 2 291.395 0.766 20 0 CCADLP COCCNC(=[NH2+])NCCc1cn2c([nH+]1)CCCC2 ZINC000360450732 357014686 /nfs/dbraw/zinc/01/46/86/357014686.db2.gz XMFKGPOYZPVLNC-UHFFFAOYSA-N 2 2 265.361 0.522 20 0 CCADLP Cn1nccc1CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000364295984 357105506 /nfs/dbraw/zinc/10/55/06/357105506.db2.gz ARRQPDJTTYVHPH-CQSZACIVSA-N 2 2 278.400 0.617 20 0 CCADLP Cn1nccc1CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000364295984 357105510 /nfs/dbraw/zinc/10/55/10/357105510.db2.gz ARRQPDJTTYVHPH-CQSZACIVSA-N 2 2 278.400 0.617 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3c(C)cnn3C)C2)CC1 ZINC000368014658 357307701 /nfs/dbraw/zinc/30/77/01/357307701.db2.gz AWHLAFAXAMFMEU-HNNXBMFYSA-N 2 2 291.443 0.940 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(C)cnn3C)C2)CC1 ZINC000368014658 357307710 /nfs/dbraw/zinc/30/77/10/357307710.db2.gz AWHLAFAXAMFMEU-HNNXBMFYSA-N 2 2 291.443 0.940 20 0 CCADLP CCO[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369266208 357341746 /nfs/dbraw/zinc/34/17/46/357341746.db2.gz KPWSAFBRPZZCPU-BPLDGKMQSA-N 2 2 295.427 0.696 20 0 CCADLP CCO[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369266208 357341751 /nfs/dbraw/zinc/34/17/51/357341751.db2.gz KPWSAFBRPZZCPU-BPLDGKMQSA-N 2 2 295.427 0.696 20 0 CCADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655736793 412654692 /nfs/dbraw/zinc/65/46/92/412654692.db2.gz SFSXXTSSIGIYMY-ZNMIVQPWSA-N 2 2 295.427 0.744 20 0 CCADLP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655736791 412654504 /nfs/dbraw/zinc/65/45/04/412654504.db2.gz SFSXXTSSIGIYMY-RBSFLKMASA-N 2 2 295.427 0.744 20 0 CCADLP COC1(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000376866664 357511989 /nfs/dbraw/zinc/51/19/89/357511989.db2.gz LWNOWPWARHOEEK-CYBMUJFWSA-N 2 2 295.427 0.840 20 0 CCADLP COC1(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCC1 ZINC000376866664 357511993 /nfs/dbraw/zinc/51/19/93/357511993.db2.gz LWNOWPWARHOEEK-CYBMUJFWSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)C2)CC1 ZINC000377195762 357550713 /nfs/dbraw/zinc/55/07/13/357550713.db2.gz GASITUHQZIAPTE-GXTWGEPZSA-N 3 2 296.459 0.645 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)C2)CC1 ZINC000377195762 357550718 /nfs/dbraw/zinc/55/07/18/357550718.db2.gz GASITUHQZIAPTE-GXTWGEPZSA-N 3 2 296.459 0.645 20 0 CCADLP C[NH+]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000377878269 357627621 /nfs/dbraw/zinc/62/76/21/357627621.db2.gz HYFAYTFRTPPYKP-AWEZNQCLSA-N 2 2 271.380 0.973 20 0 CCADLP C[NH+]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000377878269 357627625 /nfs/dbraw/zinc/62/76/25/357627625.db2.gz HYFAYTFRTPPYKP-AWEZNQCLSA-N 2 2 271.380 0.973 20 0 CCADLP CCN1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1=O ZINC000655772800 412657977 /nfs/dbraw/zinc/65/79/77/412657977.db2.gz QYMZJEYJXVROSM-ZIAGYGMSSA-N 2 2 281.400 0.450 20 0 CCADLP COc1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cn1 ZINC000380280378 357703079 /nfs/dbraw/zinc/70/30/79/357703079.db2.gz BGWAVURARDRQKE-AWEZNQCLSA-N 2 2 276.384 0.570 20 0 CCADLP Cc1nn(C)cc1C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449388532 236031687 /nfs/dbraw/zinc/03/16/87/236031687.db2.gz AIABVJOBOXWFBS-AWEZNQCLSA-N 2 2 266.389 0.665 20 0 CCADLP Cc1nn(C)cc1C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449388532 236031688 /nfs/dbraw/zinc/03/16/88/236031688.db2.gz AIABVJOBOXWFBS-AWEZNQCLSA-N 2 2 266.389 0.665 20 0 CCADLP CO[C@@H]1COC[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655779510 412660280 /nfs/dbraw/zinc/66/02/80/412660280.db2.gz MWYUWHZJYKQJSL-RBSFLKMASA-N 2 2 284.400 0.633 20 0 CCADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCC(N)=O ZINC000389849408 357739473 /nfs/dbraw/zinc/73/94/73/357739473.db2.gz TWTGFQMZFBGCEB-JSGCOSHPSA-N 2 2 261.369 0.972 20 0 CCADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCC(N)=O ZINC000389849408 357739476 /nfs/dbraw/zinc/73/94/76/357739476.db2.gz TWTGFQMZFBGCEB-JSGCOSHPSA-N 2 2 261.369 0.972 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCNC(=O)CC2)C[N@@H+]1C1CC1 ZINC000396689861 357764624 /nfs/dbraw/zinc/76/46/24/357764624.db2.gz SPLSJQHNVFOLPK-IJLUTSLNSA-N 2 2 251.374 0.870 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCNC(=O)CC2)C[N@H+]1C1CC1 ZINC000396689861 357764627 /nfs/dbraw/zinc/76/46/27/357764627.db2.gz SPLSJQHNVFOLPK-IJLUTSLNSA-N 2 2 251.374 0.870 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(CCCO)CC1 ZINC000401049976 357797004 /nfs/dbraw/zinc/79/70/04/357797004.db2.gz SQBFYCSUEPUOLK-OAHLLOKOSA-N 2 2 288.432 0.410 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CCCO)CC1 ZINC000401049976 357797006 /nfs/dbraw/zinc/79/70/06/357797006.db2.gz SQBFYCSUEPUOLK-OAHLLOKOSA-N 2 2 288.432 0.410 20 0 CCADLP Cc1nc(NC[C@@H]2CCC[N@@H+]2CCCO)cc[nH+]1 ZINC000450599856 236098948 /nfs/dbraw/zinc/09/89/48/236098948.db2.gz UGJJKCKWOLXTCG-LBPRGKRZSA-N 2 2 250.346 0.466 20 0 CCADLP Cc1nc(NC[C@@H]2CCC[N@H+]2CCCO)cc[nH+]1 ZINC000450599856 236098950 /nfs/dbraw/zinc/09/89/50/236098950.db2.gz UGJJKCKWOLXTCG-LBPRGKRZSA-N 2 2 250.346 0.466 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)nc[nH+]1 ZINC000294388010 199020899 /nfs/dbraw/zinc/02/08/99/199020899.db2.gz MPNYCWPHVAXCLN-XQQFMLRXSA-N 2 2 291.399 0.942 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)nc[nH+]1 ZINC000294388010 199020901 /nfs/dbraw/zinc/02/09/01/199020901.db2.gz MPNYCWPHVAXCLN-XQQFMLRXSA-N 2 2 291.399 0.942 20 0 CCADLP COCC1(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CCCC1 ZINC000561217703 291122350 /nfs/dbraw/zinc/12/23/50/291122350.db2.gz HLMMZDXAZJCNFZ-CYBMUJFWSA-N 2 2 298.431 0.478 20 0 CCADLP COCC1(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CCCC1 ZINC000561217703 291122353 /nfs/dbraw/zinc/12/23/53/291122353.db2.gz HLMMZDXAZJCNFZ-CYBMUJFWSA-N 2 2 298.431 0.478 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)[C@@H](C)[NH+]2CC(C)C2)C[C@@H]1C ZINC000561247349 291123694 /nfs/dbraw/zinc/12/36/94/291123694.db2.gz WFCUFKASIPCQRD-UONOGXRCSA-N 2 2 283.416 0.506 20 0 CCADLP COCC[N@H+]1CCN(C(=O)[C@@H](C)[NH+]2CC(C)C2)C[C@@H]1C ZINC000561247349 291123696 /nfs/dbraw/zinc/12/36/96/291123696.db2.gz WFCUFKASIPCQRD-UONOGXRCSA-N 2 2 283.416 0.506 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc[nH+]cc1C(N)=O ZINC000561359360 291128183 /nfs/dbraw/zinc/12/81/83/291128183.db2.gz YQKMLQJZUFMEKV-NEPJUHHUSA-N 2 2 290.367 0.480 20 0 CCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CCn1cc[nH+]c1 ZINC000287636011 291128356 /nfs/dbraw/zinc/12/83/56/291128356.db2.gz ZUQRTCXQSGRNML-KBPBESRZSA-N 2 2 292.383 0.595 20 0 CCADLP CNC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246283900 283321344 /nfs/dbraw/zinc/32/13/44/283321344.db2.gz BCOFLWREXQUVNA-AAEUAGOBSA-N 2 2 251.374 0.681 20 0 CCADLP CNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246283900 283321347 /nfs/dbraw/zinc/32/13/47/283321347.db2.gz BCOFLWREXQUVNA-AAEUAGOBSA-N 2 2 251.374 0.681 20 0 CCADLP CNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246283900 283321349 /nfs/dbraw/zinc/32/13/49/283321349.db2.gz BCOFLWREXQUVNA-AAEUAGOBSA-N 2 2 251.374 0.681 20 0 CCADLP CNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246283900 283321351 /nfs/dbraw/zinc/32/13/51/283321351.db2.gz BCOFLWREXQUVNA-AAEUAGOBSA-N 2 2 251.374 0.681 20 0 CCADLP C[C@@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H](C[NH3+])C1 ZINC000420344138 358178751 /nfs/dbraw/zinc/17/87/51/358178751.db2.gz SCHYWSXLCRXUSS-ZIAGYGMSSA-N 3 2 282.432 0.210 20 0 CCADLP C[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H](C[NH3+])C1 ZINC000420344138 358178757 /nfs/dbraw/zinc/17/87/57/358178757.db2.gz SCHYWSXLCRXUSS-ZIAGYGMSSA-N 3 2 282.432 0.210 20 0 CCADLP CCS(=O)(=O)NCCC[N@@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000420337223 358179562 /nfs/dbraw/zinc/17/95/62/358179562.db2.gz MZGAMQBPMOJEFK-RYUDHWBXSA-N 2 2 277.434 0.375 20 0 CCADLP CCS(=O)(=O)NCCC[N@H+]1CC[C@H](C)C[C@H]1C[NH3+] ZINC000420337223 358179563 /nfs/dbraw/zinc/17/95/63/358179563.db2.gz MZGAMQBPMOJEFK-RYUDHWBXSA-N 2 2 277.434 0.375 20 0 CCADLP C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420351484 358180229 /nfs/dbraw/zinc/18/02/29/358180229.db2.gz KGCKHBBMNLKMIE-WCQYABFASA-N 2 2 271.405 0.417 20 0 CCADLP C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420351484 358180235 /nfs/dbraw/zinc/18/02/35/358180235.db2.gz KGCKHBBMNLKMIE-WCQYABFASA-N 2 2 271.405 0.417 20 0 CCADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420350000 358180332 /nfs/dbraw/zinc/18/03/32/358180332.db2.gz FMQKYZGLMQINOL-DGTMBMJNSA-N 2 2 285.432 0.567 20 0 CCADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420350000 358180337 /nfs/dbraw/zinc/18/03/37/358180337.db2.gz FMQKYZGLMQINOL-DGTMBMJNSA-N 2 2 285.432 0.567 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000422882455 358194018 /nfs/dbraw/zinc/19/40/18/358194018.db2.gz SHTLLHMHMWPKIL-BFHYXJOUSA-N 3 2 284.448 0.645 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000422882455 358194023 /nfs/dbraw/zinc/19/40/23/358194023.db2.gz SHTLLHMHMWPKIL-BFHYXJOUSA-N 3 2 284.448 0.645 20 0 CCADLP COC(=O)CC1CC([NH2+]C[C@H]2CCCC[N@@H+]2CCO)C1 ZINC000424356004 358210727 /nfs/dbraw/zinc/21/07/27/358210727.db2.gz UQCJTEZZICRVKJ-JXQTWKCFSA-N 2 2 284.400 0.765 20 0 CCADLP COC(=O)CC1CC([NH2+]C[C@H]2CCCC[N@H+]2CCO)C1 ZINC000424356004 358210728 /nfs/dbraw/zinc/21/07/28/358210728.db2.gz UQCJTEZZICRVKJ-JXQTWKCFSA-N 2 2 284.400 0.765 20 0 CCADLP CC[NH+](CC)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000562294503 291142628 /nfs/dbraw/zinc/14/26/28/291142628.db2.gz RGMUSYUFNXMAAD-LLVKDONJSA-N 2 2 252.362 0.809 20 0 CCADLP O=C(/C=C\c1[nH]cc[nH+]1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000493448219 358308420 /nfs/dbraw/zinc/30/84/20/358308420.db2.gz IAJDQGFLAVWEIW-DHCBQETCSA-N 2 2 290.367 0.746 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3cc(CO)ccc3F)CCN2C1=O ZINC000530224136 358381820 /nfs/dbraw/zinc/38/18/20/358381820.db2.gz QJYBYMCMNKCCLJ-GXTWGEPZSA-N 2 2 293.342 0.062 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3cc(CO)ccc3F)CCN2C1=O ZINC000530224136 358381822 /nfs/dbraw/zinc/38/18/22/358381822.db2.gz QJYBYMCMNKCCLJ-GXTWGEPZSA-N 2 2 293.342 0.062 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1nncs1 ZINC000530184359 358374254 /nfs/dbraw/zinc/37/42/54/358374254.db2.gz NENQFKIIOOWGRT-UHFFFAOYSA-N 2 2 297.428 0.636 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1nncs1 ZINC000530184359 358374261 /nfs/dbraw/zinc/37/42/61/358374261.db2.gz NENQFKIIOOWGRT-UHFFFAOYSA-N 2 2 297.428 0.636 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3cc(CO)ccc3F)CCN2C1=O ZINC000530224442 358382176 /nfs/dbraw/zinc/38/21/76/358382176.db2.gz QJYBYMCMNKCCLJ-TZMCWYRMSA-N 2 2 293.342 0.062 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3cc(CO)ccc3F)CCN2C1=O ZINC000530224442 358382179 /nfs/dbraw/zinc/38/21/79/358382179.db2.gz QJYBYMCMNKCCLJ-TZMCWYRMSA-N 2 2 293.342 0.062 20 0 CCADLP COc1ccc(CC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cn1 ZINC000530221278 358380824 /nfs/dbraw/zinc/38/08/24/358380824.db2.gz OTKJQLDYWBTLHG-HOCLYGCPSA-N 2 2 291.395 0.989 20 0 CCADLP CC[C@H](C(=O)NCC[N@@H+]1CCO[C@H](C)C1)[NH+](CC)CC ZINC000531056546 358438886 /nfs/dbraw/zinc/43/88/86/358438886.db2.gz QIMOHVCCPRLHEO-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP CC[C@H](C(=O)NCC[N@H+]1CCO[C@H](C)C1)[NH+](CC)CC ZINC000531056546 358438888 /nfs/dbraw/zinc/43/88/88/358438888.db2.gz QIMOHVCCPRLHEO-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)Cn1cc[nH+]c1 ZINC000531086170 358440618 /nfs/dbraw/zinc/44/06/18/358440618.db2.gz VSEUMLBJWAGJBS-NEPJUHHUSA-N 2 2 250.346 0.587 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)Cn1cc[nH+]c1 ZINC000531086170 358440624 /nfs/dbraw/zinc/44/06/24/358440624.db2.gz VSEUMLBJWAGJBS-NEPJUHHUSA-N 2 2 250.346 0.587 20 0 CCADLP C[C@@H](C[NH2+]CCc1cn2ccccc2[nH+]1)S(C)(=O)=O ZINC000565594648 358563140 /nfs/dbraw/zinc/56/31/40/358563140.db2.gz ZZZHFURYHFJFFD-NSHDSACASA-N 2 2 281.381 0.900 20 0 CCADLP CC[N@H+](CCNC(=O)[C@@H]([NH3+])c1cscn1)C1CC1 ZINC000567763004 358582717 /nfs/dbraw/zinc/58/27/17/358582717.db2.gz KABRUQIPWNLVEO-NSHDSACASA-N 2 2 268.386 0.743 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@@H]([NH3+])c1cscn1)C1CC1 ZINC000567763004 358582721 /nfs/dbraw/zinc/58/27/21/358582721.db2.gz KABRUQIPWNLVEO-NSHDSACASA-N 2 2 268.386 0.743 20 0 CCADLP COCCC[NH+]1CCC([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000567682582 358571054 /nfs/dbraw/zinc/57/10/54/358571054.db2.gz WKWWABRCPJNQIZ-INIZCTEOSA-N 3 2 299.459 0.532 20 0 CCADLP COCCC[NH+]1CCC([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000567682582 358571056 /nfs/dbraw/zinc/57/10/56/358571056.db2.gz WKWWABRCPJNQIZ-INIZCTEOSA-N 3 2 299.459 0.532 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+][C@H]2CC[N@@H+](C3CC3)C2)no1 ZINC000567681535 358571485 /nfs/dbraw/zinc/57/14/85/358571485.db2.gz VFUZOMZSZFLJNY-NSHDSACASA-N 2 2 278.356 0.560 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+][C@H]2CC[N@H+](C3CC3)C2)no1 ZINC000567681535 358571487 /nfs/dbraw/zinc/57/14/87/358571487.db2.gz VFUZOMZSZFLJNY-NSHDSACASA-N 2 2 278.356 0.560 20 0 CCADLP Cc1c[nH+]ccc1CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000567686066 358572631 /nfs/dbraw/zinc/57/26/31/358572631.db2.gz VSYQZZZDMPYUTB-MRXNPFEDSA-N 3 2 292.427 0.130 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)C[C@H](C)O1 ZINC000567889203 358605696 /nfs/dbraw/zinc/60/56/96/358605696.db2.gz BQJYTRZVLNWSLE-IJEWVQPXSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)C[C@H](C)O1 ZINC000567889203 358605698 /nfs/dbraw/zinc/60/56/98/358605698.db2.gz BQJYTRZVLNWSLE-IJEWVQPXSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCCc2nccs2)[C@@H](C[NH3+])C1 ZINC000567892518 358607103 /nfs/dbraw/zinc/60/71/03/358607103.db2.gz JNMYCWXCZOPLON-NSHDSACASA-N 2 2 282.413 0.567 20 0 CCADLP C[N@H+]1CCN(C(=O)CCCc2nccs2)[C@@H](C[NH3+])C1 ZINC000567892518 358607106 /nfs/dbraw/zinc/60/71/06/358607106.db2.gz JNMYCWXCZOPLON-NSHDSACASA-N 2 2 282.413 0.567 20 0 CCADLP CC(C)[C@@H]1OCC[C@H]1C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000567892585 358607910 /nfs/dbraw/zinc/60/79/10/358607910.db2.gz SCYMPIPWVLWMRI-XQQFMLRXSA-N 2 2 269.389 0.149 20 0 CCADLP CC(C)[C@@H]1OCC[C@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000567892585 358607912 /nfs/dbraw/zinc/60/79/12/358607912.db2.gz SCYMPIPWVLWMRI-XQQFMLRXSA-N 2 2 269.389 0.149 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(F)(F)[C@@H](C)C1 ZINC000568176020 358640476 /nfs/dbraw/zinc/64/04/76/358640476.db2.gz OCWUWIMOXARWRR-NWDGAFQWSA-N 2 2 280.359 0.903 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(F)(F)[C@@H](C)C1 ZINC000568176020 358640479 /nfs/dbraw/zinc/64/04/79/358640479.db2.gz OCWUWIMOXARWRR-NWDGAFQWSA-N 2 2 280.359 0.903 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000568176020 358640485 /nfs/dbraw/zinc/64/04/85/358640485.db2.gz OCWUWIMOXARWRR-NWDGAFQWSA-N 2 2 280.359 0.903 20 0 CCADLP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000567802379 358588768 /nfs/dbraw/zinc/58/87/68/358588768.db2.gz VMMRLLHJPQWWCQ-DZGCQCFKSA-N 2 2 290.411 0.357 20 0 CCADLP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000567802379 358588770 /nfs/dbraw/zinc/58/87/70/358588770.db2.gz VMMRLLHJPQWWCQ-DZGCQCFKSA-N 2 2 290.411 0.357 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCc2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000567830132 358596040 /nfs/dbraw/zinc/59/60/40/358596040.db2.gz QXAZSAPSKGDRIR-AWEZNQCLSA-N 2 2 279.359 0.860 20 0 CCADLP C[N@H+]1CCN(C(=O)CCc2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000567830132 358596042 /nfs/dbraw/zinc/59/60/42/358596042.db2.gz QXAZSAPSKGDRIR-AWEZNQCLSA-N 2 2 279.359 0.860 20 0 CCADLP CCOc1ccccc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000568259319 358658620 /nfs/dbraw/zinc/65/86/20/358658620.db2.gz COGIHKPDSOHZJY-KGLIPLIRSA-N 2 2 289.379 0.829 20 0 CCADLP CCOc1ccccc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000568259319 358658622 /nfs/dbraw/zinc/65/86/22/358658622.db2.gz COGIHKPDSOHZJY-KGLIPLIRSA-N 2 2 289.379 0.829 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000568368806 358666784 /nfs/dbraw/zinc/66/67/84/358666784.db2.gz DWQCJISJRVJNNQ-CYBMUJFWSA-N 2 2 259.357 0.556 20 0 CCADLP CO[C@@H]1CCC[C@H]1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000568609764 358688034 /nfs/dbraw/zinc/68/80/34/358688034.db2.gz LRLDJCFNYQUONN-RWMBFGLXSA-N 2 2 284.404 0.086 20 0 CCADLP CO[C@@H]1CCC[C@H]1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000568609764 358688036 /nfs/dbraw/zinc/68/80/36/358688036.db2.gz LRLDJCFNYQUONN-RWMBFGLXSA-N 2 2 284.404 0.086 20 0 CCADLP Cc1cnc(C)nc1NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000568664191 358696282 /nfs/dbraw/zinc/69/62/82/358696282.db2.gz NFPAWMVABBIWJP-UHFFFAOYSA-N 2 2 277.416 0.953 20 0 CCADLP Cc1c[nH+]c(C)nc1NCCN1CCC([NH+](C)C)CC1 ZINC000568664191 358696288 /nfs/dbraw/zinc/69/62/88/358696288.db2.gz NFPAWMVABBIWJP-UHFFFAOYSA-N 2 2 277.416 0.953 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCc2ccccc2O)[C@H](C[NH3+])C1 ZINC000569241172 358747142 /nfs/dbraw/zinc/74/71/42/358747142.db2.gz OULLMBIHDDHWND-CYBMUJFWSA-N 2 2 277.368 0.426 20 0 CCADLP C[N@H+]1CCN(C(=O)CCc2ccccc2O)[C@H](C[NH3+])C1 ZINC000569241172 358747144 /nfs/dbraw/zinc/74/71/44/358747144.db2.gz OULLMBIHDDHWND-CYBMUJFWSA-N 2 2 277.368 0.426 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC=C(c2ccnn2C)CC1 ZINC000569256386 358749137 /nfs/dbraw/zinc/74/91/37/358749137.db2.gz NHEPLRHAADYFRQ-AWEZNQCLSA-N 2 2 278.400 0.822 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC=C(c2ccnn2C)CC1 ZINC000569256386 358749140 /nfs/dbraw/zinc/74/91/40/358749140.db2.gz NHEPLRHAADYFRQ-AWEZNQCLSA-N 2 2 278.400 0.822 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000569256386 358749143 /nfs/dbraw/zinc/74/91/43/358749143.db2.gz NHEPLRHAADYFRQ-AWEZNQCLSA-N 2 2 278.400 0.822 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000569256386 358749146 /nfs/dbraw/zinc/74/91/46/358749146.db2.gz NHEPLRHAADYFRQ-AWEZNQCLSA-N 2 2 278.400 0.822 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)no1 ZINC000568857362 358709965 /nfs/dbraw/zinc/70/99/65/358709965.db2.gz AZNQXCULKYITKN-GXFFZTMASA-N 2 2 292.383 0.806 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)no1 ZINC000568857362 358709971 /nfs/dbraw/zinc/70/99/71/358709971.db2.gz AZNQXCULKYITKN-GXFFZTMASA-N 2 2 292.383 0.806 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NCC1=CC[N@H+](C)CC1 ZINC000569050549 358728843 /nfs/dbraw/zinc/72/88/43/358728843.db2.gz UVCWMRGEIHBXKB-UHFFFAOYSA-N 2 2 263.345 0.481 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000569050549 358728846 /nfs/dbraw/zinc/72/88/46/358728846.db2.gz UVCWMRGEIHBXKB-UHFFFAOYSA-N 2 2 263.345 0.481 20 0 CCADLP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]([NH3+])c1cscn1 ZINC000569099188 358732503 /nfs/dbraw/zinc/73/25/03/358732503.db2.gz SQWZTUUHJDYDEM-GXSJLCMTSA-N 2 2 270.402 0.989 20 0 CCADLP CCc1nn(C)c(CC)c1CN1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000570044358 358816997 /nfs/dbraw/zinc/81/69/97/358816997.db2.gz HAXAPXRVVRXVCC-GFCCVEGCSA-N 2 2 279.432 0.620 20 0 CCADLP CCc1nn(C)c(CC)c1CN1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000570044358 358816999 /nfs/dbraw/zinc/81/69/99/358816999.db2.gz HAXAPXRVVRXVCC-GFCCVEGCSA-N 2 2 279.432 0.620 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCC2CCOCC2)[C@H](C[NH3+])C1 ZINC000569843601 358799601 /nfs/dbraw/zinc/79/96/01/358799601.db2.gz YLQSACQMYGWPLJ-CYBMUJFWSA-N 2 2 269.389 0.295 20 0 CCADLP C[N@H+]1CCN(C(=O)CCC2CCOCC2)[C@H](C[NH3+])C1 ZINC000569843601 358799603 /nfs/dbraw/zinc/79/96/03/358799603.db2.gz YLQSACQMYGWPLJ-CYBMUJFWSA-N 2 2 269.389 0.295 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000569849594 358800343 /nfs/dbraw/zinc/80/03/43/358800343.db2.gz AXJDXSQIMAUFQL-RYUDHWBXSA-N 2 2 257.378 0.211 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000569849594 358800346 /nfs/dbraw/zinc/80/03/46/358800346.db2.gz AXJDXSQIMAUFQL-RYUDHWBXSA-N 2 2 257.378 0.211 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](CO)C(C)(C)C ZINC000570507549 358864215 /nfs/dbraw/zinc/86/42/15/358864215.db2.gz DILOJACRXVUATF-CHWSQXEVSA-N 2 2 276.421 0.264 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](CO)C(C)(C)C ZINC000570507549 358864217 /nfs/dbraw/zinc/86/42/17/358864217.db2.gz DILOJACRXVUATF-CHWSQXEVSA-N 2 2 276.421 0.264 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](CO)C(C)(C)C ZINC000570507549 358864219 /nfs/dbraw/zinc/86/42/19/358864219.db2.gz DILOJACRXVUATF-CHWSQXEVSA-N 2 2 276.421 0.264 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](CO)C(C)(C)C ZINC000570507549 358864220 /nfs/dbraw/zinc/86/42/20/358864220.db2.gz DILOJACRXVUATF-CHWSQXEVSA-N 2 2 276.421 0.264 20 0 CCADLP CCc1nnc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)[nH]1 ZINC000570281036 358841086 /nfs/dbraw/zinc/84/10/86/358841086.db2.gz RMOCKUSYUOOXCP-QJPTWQEYSA-N 2 2 279.388 0.614 20 0 CCADLP C[N@@H+]1CCN(c2nnc(-c3ccccn3)s2)[C@H](C[NH3+])C1 ZINC000570699369 358886931 /nfs/dbraw/zinc/88/69/31/358886931.db2.gz UVFMFNFLEYAVTL-SNVBAGLBSA-N 2 2 290.396 0.679 20 0 CCADLP C[N@H+]1CCN(c2nnc(-c3ccccn3)s2)[C@H](C[NH3+])C1 ZINC000570699369 358886937 /nfs/dbraw/zinc/88/69/37/358886937.db2.gz UVFMFNFLEYAVTL-SNVBAGLBSA-N 2 2 290.396 0.679 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)CCO1 ZINC000570794870 358895121 /nfs/dbraw/zinc/89/51/21/358895121.db2.gz IRGQIXUUGWBKCT-FQKPHLNHSA-N 2 2 286.416 0.614 20 0 CCADLP CSC[C@H](C)[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000571197969 358922176 /nfs/dbraw/zinc/92/21/76/358922176.db2.gz CCCYBGPBKSGXKI-RVMXOQNASA-N 2 2 276.446 0.798 20 0 CCADLP CSC[C@H](C)[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000571197969 358922180 /nfs/dbraw/zinc/92/21/80/358922180.db2.gz CCCYBGPBKSGXKI-RVMXOQNASA-N 2 2 276.446 0.798 20 0 CCADLP Cc1cc(C)nc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000562761149 291166746 /nfs/dbraw/zinc/16/67/46/291166746.db2.gz SLGOUMKWAFAMJD-GFCCVEGCSA-N 2 2 277.372 0.805 20 0 CCADLP Cc1cc(C)nc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000562761149 291166749 /nfs/dbraw/zinc/16/67/49/291166749.db2.gz SLGOUMKWAFAMJD-GFCCVEGCSA-N 2 2 277.372 0.805 20 0 CCADLP Cc1nc(N2CC[C@@]3(C2)CCC[NH2+]C3)nc(N(C)C)[nH+]1 ZINC000573097923 358937501 /nfs/dbraw/zinc/93/75/01/358937501.db2.gz BOKLSDYISWRYOF-AWEZNQCLSA-N 2 2 276.388 0.826 20 0 CCADLP Cc1nc(N(C)C)nc(N2CC[C@@]3(C2)CCC[NH2+]C3)[nH+]1 ZINC000573097923 358937506 /nfs/dbraw/zinc/93/75/06/358937506.db2.gz BOKLSDYISWRYOF-AWEZNQCLSA-N 2 2 276.388 0.826 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](Cc1ccccn1)C1CC1 ZINC000573281786 358954063 /nfs/dbraw/zinc/95/40/63/358954063.db2.gz WZACLCOXEFLYLH-MRXNPFEDSA-N 2 2 293.411 0.985 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccccn1)C1CC1 ZINC000573281786 358954068 /nfs/dbraw/zinc/95/40/68/358954068.db2.gz WZACLCOXEFLYLH-MRXNPFEDSA-N 2 2 293.411 0.985 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](Cc1ccccn1)C1CC1 ZINC000573281786 358954071 /nfs/dbraw/zinc/95/40/71/358954071.db2.gz WZACLCOXEFLYLH-MRXNPFEDSA-N 2 2 293.411 0.985 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccccn1)C1CC1 ZINC000573281786 358954073 /nfs/dbraw/zinc/95/40/73/358954073.db2.gz WZACLCOXEFLYLH-MRXNPFEDSA-N 2 2 293.411 0.985 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000574053500 359025437 /nfs/dbraw/zinc/02/54/37/359025437.db2.gz MLIPETPKLJOSDH-AVGNSLFASA-N 3 2 268.405 0.186 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000574053500 359025441 /nfs/dbraw/zinc/02/54/41/359025441.db2.gz MLIPETPKLJOSDH-AVGNSLFASA-N 3 2 268.405 0.186 20 0 CCADLP C[C@@H]1CCC[C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000576253806 359046396 /nfs/dbraw/zinc/04/63/96/359046396.db2.gz BQONTEZKEQEMMF-AGIUHOORSA-N 2 2 268.405 0.849 20 0 CCADLP C[C@@H]1CCC[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000576253806 359046399 /nfs/dbraw/zinc/04/63/99/359046399.db2.gz BQONTEZKEQEMMF-AGIUHOORSA-N 2 2 268.405 0.849 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC2CCSCC2)[C@H](C[NH3+])C1 ZINC000562809719 291168746 /nfs/dbraw/zinc/16/87/46/291168746.db2.gz UWSMQUWVSXVVMI-GFCCVEGCSA-N 2 2 286.445 0.414 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC2CCSCC2)[C@H](C[NH3+])C1 ZINC000562809719 291168747 /nfs/dbraw/zinc/16/87/47/291168747.db2.gz UWSMQUWVSXVVMI-GFCCVEGCSA-N 2 2 286.445 0.414 20 0 CCADLP CCN(C)C(=O)CC[N@@H+]1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000573723940 358994891 /nfs/dbraw/zinc/99/48/91/358994891.db2.gz HQCQIROZBAMLSB-NEPJUHHUSA-N 2 2 257.378 0.293 20 0 CCADLP CCN(C)C(=O)CC[N@H+]1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000573723940 358994896 /nfs/dbraw/zinc/99/48/96/358994896.db2.gz HQCQIROZBAMLSB-NEPJUHHUSA-N 2 2 257.378 0.293 20 0 CCADLP COc1c(C[NH2+]CC[C@H]2CCC[NH2+]2)c(C)nn1C ZINC000573813066 359002639 /nfs/dbraw/zinc/00/26/39/359002639.db2.gz ZIYHTBHRCJJQMC-LLVKDONJSA-N 2 2 252.362 0.969 20 0 CCADLP C[C@@H]1C[C@@H](CCNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CCO1 ZINC000573905211 359010214 /nfs/dbraw/zinc/01/02/14/359010214.db2.gz DSDOKKXQCGMYOE-HZSPNIEDSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H]1C[C@@H](CCNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CCO1 ZINC000573905211 359010218 /nfs/dbraw/zinc/01/02/18/359010218.db2.gz DSDOKKXQCGMYOE-HZSPNIEDSA-N 2 2 298.431 0.476 20 0 CCADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC000580025284 359075979 /nfs/dbraw/zinc/07/59/79/359075979.db2.gz OGYUCQMOMBEPPR-CHWSQXEVSA-N 2 2 262.357 0.826 20 0 CCADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC000580025284 359075982 /nfs/dbraw/zinc/07/59/82/359075982.db2.gz OGYUCQMOMBEPPR-CHWSQXEVSA-N 2 2 262.357 0.826 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCC(C)(C)O)C[C@@H](C)O1 ZINC000580316760 359081953 /nfs/dbraw/zinc/08/19/53/359081953.db2.gz ZZYXGNXLUBMSQW-UPJWGTAASA-N 2 2 274.405 0.207 20 0 CCADLP CN(C[C@@H](O)C[NH3+])C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000580726667 359088580 /nfs/dbraw/zinc/08/85/80/359088580.db2.gz ZJYOUKOUQNWUHU-JTQLQIEISA-N 2 2 263.301 0.118 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3ccccc3F)CCN2C1=O ZINC000580903375 359107802 /nfs/dbraw/zinc/10/78/02/359107802.db2.gz SIDKETHMKWHCOJ-AAEUAGOBSA-N 2 2 263.316 0.570 20 0 CCADLP CN(C)c1ccc(CNC(=O)NCC[C@@H]2CC[NH2+]C2)c[nH+]1 ZINC000582111159 359127587 /nfs/dbraw/zinc/12/75/87/359127587.db2.gz KIBQHIAUGLZNRA-LBPRGKRZSA-N 2 2 291.399 0.946 20 0 CCADLP CCC[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000582290735 359129359 /nfs/dbraw/zinc/12/93/59/359129359.db2.gz ALDNIKQOFKTLHZ-OLZOCXBDSA-N 2 2 291.399 0.981 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000584586513 359174962 /nfs/dbraw/zinc/17/49/62/359174962.db2.gz DPFABESGUMDPHH-YPMHNXCESA-N 3 2 264.373 0.243 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000584586513 359174968 /nfs/dbraw/zinc/17/49/68/359174968.db2.gz DPFABESGUMDPHH-YPMHNXCESA-N 3 2 264.373 0.243 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCn2ccnc2C1)C1CC1 ZINC000584586513 359174974 /nfs/dbraw/zinc/17/49/74/359174974.db2.gz DPFABESGUMDPHH-YPMHNXCESA-N 2 2 264.373 0.243 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCn2ccnc2C1)C1CC1 ZINC000584586513 359174979 /nfs/dbraw/zinc/17/49/79/359174979.db2.gz DPFABESGUMDPHH-YPMHNXCESA-N 2 2 264.373 0.243 20 0 CCADLP C[NH2+]C[C@H](C)CNc1cc(NC[C@H](C)C[NH2+]C)[nH+]cn1 ZINC000584731279 359198546 /nfs/dbraw/zinc/19/85/46/359198546.db2.gz FWDQVYDMUYGLTF-TXEJJXNPSA-N 3 2 280.420 0.433 20 0 CCADLP C[NH2+]C[C@H](C)CNc1cc(NC[C@H](C)C[NH2+]C)nc[nH+]1 ZINC000584731279 359198547 /nfs/dbraw/zinc/19/85/47/359198547.db2.gz FWDQVYDMUYGLTF-TXEJJXNPSA-N 3 2 280.420 0.433 20 0 CCADLP CCc1cc(N2CC[N@H+](C)C[C@@H](C(=O)OC)C2)nc(C)[nH+]1 ZINC000584766719 359201048 /nfs/dbraw/zinc/20/10/48/359201048.db2.gz VAOPWKNYVTZMHK-GFCCVEGCSA-N 2 2 292.383 0.888 20 0 CCADLP CCc1cc(N2CC[N@@H+](C)C[C@@H](C(=O)OC)C2)nc(C)[nH+]1 ZINC000584766719 359201049 /nfs/dbraw/zinc/20/10/49/359201049.db2.gz VAOPWKNYVTZMHK-GFCCVEGCSA-N 2 2 292.383 0.888 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CC[C@H]2CCOC2)C[C@@H](C)O1 ZINC000563013270 291181427 /nfs/dbraw/zinc/18/14/27/291181427.db2.gz HKHRTWCJWJTUPS-APIJFGDWSA-N 2 2 286.416 0.473 20 0 CCADLP CS[C@@H]1CN(c2nc[nH+]c3c2OCCN3)C[C@@H]1[NH+](C)C ZINC000591151367 359563681 /nfs/dbraw/zinc/56/36/81/359563681.db2.gz KJBMKBCKPRYTKB-VHSXEESVSA-N 2 2 295.412 0.763 20 0 CCADLP CS[C@H]1CN(c2nc[nH+]c3c2OCCN3)C[C@@H]1[NH+](C)C ZINC000591151366 359564068 /nfs/dbraw/zinc/56/40/68/359564068.db2.gz KJBMKBCKPRYTKB-UWVGGRQHSA-N 2 2 295.412 0.763 20 0 CCADLP C[NH+](C)CCOCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492771476 237289668 /nfs/dbraw/zinc/28/96/68/237289668.db2.gz RZMWAMDESSFFDA-ONEGZZNKSA-N 2 2 252.318 0.117 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)N1CCNC1=O ZINC000591867745 359668129 /nfs/dbraw/zinc/66/81/29/359668129.db2.gz SCFHNDNINXPLGL-LLVKDONJSA-N 2 2 277.328 0.072 20 0 CCADLP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)N1CCNC1=O ZINC000591867745 359668132 /nfs/dbraw/zinc/66/81/32/359668132.db2.gz SCFHNDNINXPLGL-LLVKDONJSA-N 2 2 277.328 0.072 20 0 CCADLP COCCCNC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591916038 359693806 /nfs/dbraw/zinc/69/38/06/359693806.db2.gz UHNXSAKPGSSZJB-CYBMUJFWSA-N 2 2 280.372 0.673 20 0 CCADLP COCCCNC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591916038 359693810 /nfs/dbraw/zinc/69/38/10/359693810.db2.gz UHNXSAKPGSSZJB-CYBMUJFWSA-N 2 2 280.372 0.673 20 0 CCADLP C[NH+](C)C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC000329298760 202271628 /nfs/dbraw/zinc/27/16/28/202271628.db2.gz UUJJGXTWMLXBKP-GFCCVEGCSA-N 2 2 266.345 0.131 20 0 CCADLP C[NH+](C)C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC000329298760 202271632 /nfs/dbraw/zinc/27/16/32/202271632.db2.gz UUJJGXTWMLXBKP-GFCCVEGCSA-N 2 2 266.345 0.131 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000563119447 291196102 /nfs/dbraw/zinc/19/61/02/291196102.db2.gz WCRRZSVYEKPCMN-SECBINFHSA-N 2 2 260.301 0.129 20 0 CCADLP COC(=O)[C@H]1C[C@H](O)C[N@H+](CCn2cc[nH+]c2C)C1 ZINC000592194970 359784967 /nfs/dbraw/zinc/78/49/67/359784967.db2.gz IFBLMQIZYDPZMV-RYUDHWBXSA-N 2 2 267.329 0.047 20 0 CCADLP COC(=O)[C@H]1C[C@H](O)C[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000592194970 359784969 /nfs/dbraw/zinc/78/49/69/359784969.db2.gz IFBLMQIZYDPZMV-RYUDHWBXSA-N 2 2 267.329 0.047 20 0 CCADLP CC[N@H+](CCSC)CC(=O)N1CC[NH+](C)CC1 ZINC000592205703 359795318 /nfs/dbraw/zinc/79/53/18/359795318.db2.gz ZRZOXNXQBPQFKI-UHFFFAOYSA-N 2 2 259.419 0.445 20 0 CCADLP CC[N@@H+](CCSC)CC(=O)N1CC[NH+](C)CC1 ZINC000592205703 359795319 /nfs/dbraw/zinc/79/53/19/359795319.db2.gz ZRZOXNXQBPQFKI-UHFFFAOYSA-N 2 2 259.419 0.445 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1[nH+]ccn1C ZINC000620612531 366547195 /nfs/dbraw/zinc/54/71/95/366547195.db2.gz XQGHMEXPROLHRH-HBNTYKKESA-N 2 2 250.346 0.938 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1[nH+]ccn1C ZINC000620612531 366547200 /nfs/dbraw/zinc/54/72/00/366547200.db2.gz XQGHMEXPROLHRH-HBNTYKKESA-N 2 2 250.346 0.938 20 0 CCADLP COc1ccc(NC(=O)NC(=O)C[N@H+](C)CCC[NH3+])cc1 ZINC000592473978 359849497 /nfs/dbraw/zinc/84/94/97/359849497.db2.gz ZGFGSKQXCCEXHY-UHFFFAOYSA-N 2 2 294.355 0.624 20 0 CCADLP COc1ccc(NC(=O)NC(=O)C[N@@H+](C)CCC[NH3+])cc1 ZINC000592473978 359849500 /nfs/dbraw/zinc/84/95/00/359849500.db2.gz ZGFGSKQXCCEXHY-UHFFFAOYSA-N 2 2 294.355 0.624 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(C)([NH3+])CC1 ZINC000592485738 359853566 /nfs/dbraw/zinc/85/35/66/359853566.db2.gz WXYXRTAJNXKJRH-SECBINFHSA-N 2 2 268.361 0.176 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000563207743 291205604 /nfs/dbraw/zinc/20/56/04/291205604.db2.gz RXXZWVGNOPQYEG-CQSZACIVSA-N 2 2 285.351 0.841 20 0 CCADLP C[NH+](C)CCC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC000620970130 366609617 /nfs/dbraw/zinc/60/96/17/366609617.db2.gz LOOMCXNDPAFYBM-CYBMUJFWSA-N 2 2 280.372 0.452 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[NH2+]1 ZINC000621157275 366658218 /nfs/dbraw/zinc/65/82/18/366658218.db2.gz SHONJBICZQCIOD-LBPRGKRZSA-N 2 2 250.346 0.799 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[NH2+]1 ZINC000621157275 366658222 /nfs/dbraw/zinc/65/82/22/366658222.db2.gz SHONJBICZQCIOD-LBPRGKRZSA-N 2 2 250.346 0.799 20 0 CCADLP CCOC(=O)CC[C@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593907731 360205268 /nfs/dbraw/zinc/20/52/68/360205268.db2.gz SWGUCHWCYZKNAW-QWRGUYRKSA-N 2 2 273.377 0.113 20 0 CCADLP CC1=C[C@@H](C)C[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000336292350 213132307 /nfs/dbraw/zinc/13/23/07/213132307.db2.gz VXFBZYNHZNBKML-GFCCVEGCSA-N 2 2 251.374 0.658 20 0 CCADLP CC1=C[C@@H](C)C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000336292350 213132308 /nfs/dbraw/zinc/13/23/08/213132308.db2.gz VXFBZYNHZNBKML-GFCCVEGCSA-N 2 2 251.374 0.658 20 0 CCADLP CSC[C@@H]1CCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593906793 360204591 /nfs/dbraw/zinc/20/45/91/360204591.db2.gz JXUBFSNXBUCVSB-WDEREUQCSA-N 2 2 259.419 0.619 20 0 CCADLP COC(=O)C1(O)CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000593970426 360224981 /nfs/dbraw/zinc/22/49/81/360224981.db2.gz UXTPVXIQZNLVPC-UHFFFAOYSA-N 2 2 281.356 0.353 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc(=O)[nH]c2)CC1 ZINC000177148317 189031755 /nfs/dbraw/zinc/03/17/55/189031755.db2.gz HWUABRFMNVVMBK-UHFFFAOYSA-N 2 2 292.383 0.543 20 0 CCADLP COC(=O)C[N@H+]1CCC[C@@H](CNc2nc(C)ncc2C)C1 ZINC000594580128 360334052 /nfs/dbraw/zinc/33/40/52/360334052.db2.gz ZIGQJPHONMOATN-ZDUSSCGKSA-N 2 2 292.383 0.812 20 0 CCADLP COC(=O)C[N@@H+]1CCC[C@@H](CNc2nc(C)[nH+]cc2C)C1 ZINC000594580128 360334056 /nfs/dbraw/zinc/33/40/56/360334056.db2.gz ZIGQJPHONMOATN-ZDUSSCGKSA-N 2 2 292.383 0.812 20 0 CCADLP COC(=O)C[N@H+]1CCC[C@@H](CNc2nc(C)[nH+]cc2C)C1 ZINC000594580128 360334064 /nfs/dbraw/zinc/33/40/64/360334064.db2.gz ZIGQJPHONMOATN-ZDUSSCGKSA-N 2 2 292.383 0.812 20 0 CCADLP Cc1cccn2cc(CC(=O)N[C@H]3CC[NH2+]C3)[nH+]c12 ZINC000335886895 212660520 /nfs/dbraw/zinc/66/05/20/212660520.db2.gz SUNIUEJEKCRQJH-NSHDSACASA-N 2 2 258.325 0.663 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000594942869 360422550 /nfs/dbraw/zinc/42/25/50/360422550.db2.gz CTFSHGNELPXACE-AAVRWANBSA-N 2 2 284.400 0.620 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000594942869 360422552 /nfs/dbraw/zinc/42/25/52/360422552.db2.gz CTFSHGNELPXACE-AAVRWANBSA-N 2 2 284.400 0.620 20 0 CCADLP COC(=O)CC1(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000595863302 360683145 /nfs/dbraw/zinc/68/31/45/360683145.db2.gz MXXKCVUVJXKRSK-AWEZNQCLSA-N 2 2 296.411 0.861 20 0 CCADLP COC(=O)CC1(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000595863302 360683147 /nfs/dbraw/zinc/68/31/47/360683147.db2.gz MXXKCVUVJXKRSK-AWEZNQCLSA-N 2 2 296.411 0.861 20 0 CCADLP COC(=O)CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2[NH3+])C1=O ZINC000595891281 360692560 /nfs/dbraw/zinc/69/25/60/360692560.db2.gz CATWGNPMEAJOKK-UTUOFQBUSA-N 2 2 283.372 0.010 20 0 CCADLP COC(=O)CC[N@H+](C[C@@H]1CCCO1)C[C@H]1C[NH2+]CCO1 ZINC000595893665 360693354 /nfs/dbraw/zinc/69/33/54/360693354.db2.gz TYVCVNKXBQYXSR-QWHCGFSZSA-N 2 2 286.372 0.019 20 0 CCADLP COC(=O)CC[N@@H+](C[C@@H]1CCCO1)C[C@H]1C[NH2+]CCO1 ZINC000595893665 360693359 /nfs/dbraw/zinc/69/33/59/360693359.db2.gz TYVCVNKXBQYXSR-QWHCGFSZSA-N 2 2 286.372 0.019 20 0 CCADLP CCSC1(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000595945153 360723643 /nfs/dbraw/zinc/72/36/43/360723643.db2.gz RSGIXAFHOCVLED-JTQLQIEISA-N 2 2 259.419 0.667 20 0 CCADLP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+](C)CC(C)(C)[NH3+] ZINC000595898669 360696120 /nfs/dbraw/zinc/69/61/20/360696120.db2.gz LVPYAEQYLOAMQE-SSDOTTSWSA-N 2 2 298.309 0.432 20 0 CCADLP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+](C)CC(C)(C)[NH3+] ZINC000595898669 360696124 /nfs/dbraw/zinc/69/61/24/360696124.db2.gz LVPYAEQYLOAMQE-SSDOTTSWSA-N 2 2 298.309 0.432 20 0 CCADLP COC(=O)CCN1CCC[C@@H]([N@H+](C)CC(C)(C)[NH3+])C1=O ZINC000595900746 360697325 /nfs/dbraw/zinc/69/73/25/360697325.db2.gz JVWSZZJRFHVHDF-LLVKDONJSA-N 2 2 285.388 0.210 20 0 CCADLP COC(=O)CCN1CCC[C@@H]([N@@H+](C)CC(C)(C)[NH3+])C1=O ZINC000595900746 360697329 /nfs/dbraw/zinc/69/73/29/360697329.db2.gz JVWSZZJRFHVHDF-LLVKDONJSA-N 2 2 285.388 0.210 20 0 CCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+](C)CC(C)(C)[NH3+] ZINC000595904045 360698831 /nfs/dbraw/zinc/69/88/31/360698831.db2.gz XHTUYNCPEDBCAG-SECBINFHSA-N 2 2 272.393 0.668 20 0 CCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+](C)CC(C)(C)[NH3+] ZINC000595904045 360698837 /nfs/dbraw/zinc/69/88/37/360698837.db2.gz XHTUYNCPEDBCAG-SECBINFHSA-N 2 2 272.393 0.668 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000493555723 238202295 /nfs/dbraw/zinc/20/22/95/238202295.db2.gz MMJLVQLOCPNTQT-IHVVCDCBSA-N 2 2 278.356 0.386 20 0 CCADLP CCOC[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C(C)C ZINC000563593717 291239849 /nfs/dbraw/zinc/23/98/49/291239849.db2.gz PBTQCZRRKIDNGO-CHWSQXEVSA-N 2 2 286.420 0.332 20 0 CCADLP CCOC[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C(C)C ZINC000563593717 291239851 /nfs/dbraw/zinc/23/98/51/291239851.db2.gz PBTQCZRRKIDNGO-CHWSQXEVSA-N 2 2 286.420 0.332 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000563636099 291244397 /nfs/dbraw/zinc/24/43/97/291244397.db2.gz KRWREQFWDODEMC-GHMZBOCLSA-N 2 2 250.346 0.751 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000563636099 291244399 /nfs/dbraw/zinc/24/43/99/291244399.db2.gz KRWREQFWDODEMC-GHMZBOCLSA-N 2 2 250.346 0.751 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000563636099 291244401 /nfs/dbraw/zinc/24/44/01/291244401.db2.gz KRWREQFWDODEMC-GHMZBOCLSA-N 2 2 250.346 0.751 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000563636099 291244404 /nfs/dbraw/zinc/24/44/04/291244404.db2.gz KRWREQFWDODEMC-GHMZBOCLSA-N 2 2 250.346 0.751 20 0 CCADLP COC(=O)[C@H](O)C1CC[NH+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000597030204 360995992 /nfs/dbraw/zinc/99/59/92/360995992.db2.gz QZGCOKNDHQRESM-CQSZACIVSA-N 2 2 293.367 0.575 20 0 CCADLP COC[C@](C)(CC(=O)OC)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000597083217 361006102 /nfs/dbraw/zinc/00/61/02/361006102.db2.gz QENVGBDKVSSAIC-AWEZNQCLSA-N 2 2 281.356 0.887 20 0 CCADLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000563709396 291248295 /nfs/dbraw/zinc/24/82/95/291248295.db2.gz SXRBLJRSJMITGQ-SWLSCSKDSA-N 3 2 280.416 0.872 20 0 CCADLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000563709396 291248296 /nfs/dbraw/zinc/24/82/96/291248296.db2.gz SXRBLJRSJMITGQ-SWLSCSKDSA-N 3 2 280.416 0.872 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+]C/C=C/CO)CC1 ZINC000597186848 361026583 /nfs/dbraw/zinc/02/65/83/361026583.db2.gz MFYNATXPLFHYON-NSCUHMNNSA-N 2 2 270.373 0.542 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC(C2CC2)C2CC2)[C@@H](C[NH3+])C1 ZINC000563798020 291250862 /nfs/dbraw/zinc/25/08/62/291250862.db2.gz HRKUBYSYBJVWOF-ZDUSSCGKSA-N 2 2 280.416 0.707 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC(C2CC2)C2CC2)[C@@H](C[NH3+])C1 ZINC000563798020 291250863 /nfs/dbraw/zinc/25/08/63/291250863.db2.gz HRKUBYSYBJVWOF-ZDUSSCGKSA-N 2 2 280.416 0.707 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000417019488 296029275 /nfs/dbraw/zinc/02/92/75/296029275.db2.gz GJTUWMUHMSNRDQ-UPJWGTAASA-N 2 2 284.404 0.086 20 0 CCADLP C(C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N1CC[NH2+]CC1 ZINC000563811570 291252175 /nfs/dbraw/zinc/25/21/75/291252175.db2.gz BJAKPZKTFPECBB-NVXWUHKLSA-N 3 2 292.471 0.840 20 0 CCADLP C(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N1CC[NH2+]CC1 ZINC000563811570 291252176 /nfs/dbraw/zinc/25/21/76/291252176.db2.gz BJAKPZKTFPECBB-NVXWUHKLSA-N 3 2 292.471 0.840 20 0 CCADLP C(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CC[NH2+]CC1 ZINC000563811570 291252178 /nfs/dbraw/zinc/25/21/78/291252178.db2.gz BJAKPZKTFPECBB-NVXWUHKLSA-N 3 2 292.471 0.840 20 0 CCADLP C(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CC[NH2+]CC1 ZINC000563811570 291252179 /nfs/dbraw/zinc/25/21/79/291252179.db2.gz BJAKPZKTFPECBB-NVXWUHKLSA-N 3 2 292.471 0.840 20 0 CCADLP CN(C(=O)/C=C/c1[nH]cc[nH+]1)[C@H]1C[NH+]2CCC1CC2 ZINC000493799142 238394442 /nfs/dbraw/zinc/39/44/42/238394442.db2.gz ZQBHNPGHEJWKPT-JDGPPOGSSA-N 2 2 260.341 0.976 20 0 CCADLP C[N@@H+](Cc1ncccc1C(F)(F)F)C[C@H](O)C[NH3+] ZINC000631827641 370694011 /nfs/dbraw/zinc/69/40/11/370694011.db2.gz SGKCCICIQPCULF-MRVPVSSYSA-N 2 2 263.263 0.852 20 0 CCADLP C[N@H+](Cc1ncccc1C(F)(F)F)C[C@H](O)C[NH3+] ZINC000631827641 370694013 /nfs/dbraw/zinc/69/40/13/370694013.db2.gz SGKCCICIQPCULF-MRVPVSSYSA-N 2 2 263.263 0.852 20 0 CCADLP Cn1cc(N2CC[N@H+](CCCn3cc[nH+]c3)CC2=O)cn1 ZINC000183184688 189349638 /nfs/dbraw/zinc/34/96/38/189349638.db2.gz NTWSSIVKBACEPC-UHFFFAOYSA-N 2 2 288.355 0.356 20 0 CCADLP Cn1cc(N2CC[N@@H+](CCCn3cc[nH+]c3)CC2=O)cn1 ZINC000183184688 189349639 /nfs/dbraw/zinc/34/96/39/189349639.db2.gz NTWSSIVKBACEPC-UHFFFAOYSA-N 2 2 288.355 0.356 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@H]2CCOC2(C)C)C[C@H](C)O1 ZINC000564289087 291272986 /nfs/dbraw/zinc/27/29/86/291272986.db2.gz LYPVRIKKHXYVPC-RQJABVFESA-N 2 2 286.416 0.614 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@H]2CCOC2(C)C)C[C@H](C)O1 ZINC000564289087 291272989 /nfs/dbraw/zinc/27/29/89/291272989.db2.gz LYPVRIKKHXYVPC-RQJABVFESA-N 2 2 286.416 0.614 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000599288809 361634446 /nfs/dbraw/zinc/63/44/46/361634446.db2.gz WWPGMHZWXBAJNS-OLZOCXBDSA-N 2 2 281.356 0.834 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000599288809 361634451 /nfs/dbraw/zinc/63/44/51/361634451.db2.gz WWPGMHZWXBAJNS-OLZOCXBDSA-N 2 2 281.356 0.834 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000599316186 361650168 /nfs/dbraw/zinc/65/01/68/361650168.db2.gz MEMWCCJMPAWHCL-OLZOCXBDSA-N 2 2 272.389 0.574 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000599316186 361650176 /nfs/dbraw/zinc/65/01/76/361650176.db2.gz MEMWCCJMPAWHCL-OLZOCXBDSA-N 2 2 272.389 0.574 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000599316186 361650180 /nfs/dbraw/zinc/65/01/80/361650180.db2.gz MEMWCCJMPAWHCL-OLZOCXBDSA-N 2 2 272.389 0.574 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000599316186 361650183 /nfs/dbraw/zinc/65/01/83/361650183.db2.gz MEMWCCJMPAWHCL-OLZOCXBDSA-N 2 2 272.389 0.574 20 0 CCADLP C[C@H]1CN(CC[N@@H+]2CCCCC[C@H]([NH3+])C2)CCO1 ZINC000631835797 370701944 /nfs/dbraw/zinc/70/19/44/370701944.db2.gz XYIOWJQNLIRSMH-KBPBESRZSA-N 2 2 255.406 0.910 20 0 CCADLP C[C@H]1CN(CC[N@H+]2CCCCC[C@H]([NH3+])C2)CCO1 ZINC000631835797 370701946 /nfs/dbraw/zinc/70/19/46/370701946.db2.gz XYIOWJQNLIRSMH-KBPBESRZSA-N 2 2 255.406 0.910 20 0 CCADLP Cc1cnn(CC[NH+]2CCC([NH2+]CCO)CC2)c1 ZINC000631863354 370723750 /nfs/dbraw/zinc/72/37/50/370723750.db2.gz VHMGJGYZNMEMIP-UHFFFAOYSA-N 2 2 252.362 0.238 20 0 CCADLP Cc1cc(C[NH+]2CCC([NH2+]CCO)CC2)nc(C)n1 ZINC000631862752 370723869 /nfs/dbraw/zinc/72/38/69/370723869.db2.gz NDZULPJYFJVIAS-UHFFFAOYSA-N 2 2 264.373 0.640 20 0 CCADLP CC1CC(n2nnc3c2C[N@H+](CCOCC[NH3+])CC3)C1 ZINC000631865292 370724694 /nfs/dbraw/zinc/72/46/94/370724694.db2.gz GZCGSJDPARSRSA-UHFFFAOYSA-N 2 2 279.388 0.583 20 0 CCADLP CC1CC(n2nnc3c2C[N@@H+](CCOCC[NH3+])CC3)C1 ZINC000631865292 370724698 /nfs/dbraw/zinc/72/46/98/370724698.db2.gz GZCGSJDPARSRSA-UHFFFAOYSA-N 2 2 279.388 0.583 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)C[C@H](C)O1 ZINC000631885780 370737061 /nfs/dbraw/zinc/73/70/61/370737061.db2.gz DWBLITUNAICRFB-BARDWOONSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)C[C@H](C)O1 ZINC000631885780 370737064 /nfs/dbraw/zinc/73/70/64/370737064.db2.gz DWBLITUNAICRFB-BARDWOONSA-N 2 2 295.427 0.696 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)CC1 ZINC000631890454 370740227 /nfs/dbraw/zinc/74/02/27/370740227.db2.gz POLKYTJWLXFESH-LSDHHAIUSA-N 3 2 294.443 0.224 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)CC1 ZINC000631890454 370740229 /nfs/dbraw/zinc/74/02/29/370740229.db2.gz POLKYTJWLXFESH-LSDHHAIUSA-N 3 2 294.443 0.224 20 0 CCADLP O=C(NC[C@@H]1CCC[NH2+]1)C1CC[NH+](CC(F)F)CC1 ZINC000564837339 291305130 /nfs/dbraw/zinc/30/51/30/291305130.db2.gz IBLGATQIUSACQU-NSHDSACASA-N 2 2 275.343 0.832 20 0 CCADLP C[C@H](CO)CCC[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000564850901 291307361 /nfs/dbraw/zinc/30/73/61/291307361.db2.gz DEYAKKBTAOIGKO-AJNGGQMLSA-N 2 2 288.432 0.455 20 0 CCADLP C[C@@H]1CN(C(=O)C2([NH+](C)C)CC2)CC[N@H+]1CC(C)(C)O ZINC000613790324 364373169 /nfs/dbraw/zinc/37/31/69/364373169.db2.gz MMVOCKQVCIJZKE-GFCCVEGCSA-N 2 2 283.416 0.384 20 0 CCADLP O=S1(=O)Cc2ccccc2[C@H]([NH2+]C[C@H]2CC[NH2+]C2)C1 ZINC000621776382 366863905 /nfs/dbraw/zinc/86/39/05/366863905.db2.gz KDEDWQHQALEGBC-SMDDNHRTSA-N 2 2 280.393 0.855 20 0 CCADLP Cc1cc(NC(=O)CC[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)no1 ZINC000621780224 366864418 /nfs/dbraw/zinc/86/44/18/366864418.db2.gz OWQBJBFOUVJWDA-SMDDNHRTSA-N 2 2 278.356 0.547 20 0 CCADLP Cc1cc(NC(=O)CC[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)no1 ZINC000621780224 366864426 /nfs/dbraw/zinc/86/44/26/366864426.db2.gz OWQBJBFOUVJWDA-SMDDNHRTSA-N 2 2 278.356 0.547 20 0 CCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@H]2CSC[NH2+]2)C1 ZINC000335656505 212373487 /nfs/dbraw/zinc/37/34/87/212373487.db2.gz KJTVOERQHBPUJB-VXGBXAGGSA-N 2 2 294.424 0.864 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000564934934 291319383 /nfs/dbraw/zinc/31/93/83/291319383.db2.gz ODXVYNRZUSQMDE-QRTLGDNMSA-N 2 2 280.397 0.742 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000564934934 291319386 /nfs/dbraw/zinc/31/93/86/291319386.db2.gz ODXVYNRZUSQMDE-QRTLGDNMSA-N 2 2 280.397 0.742 20 0 CCADLP Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000564944105 291322851 /nfs/dbraw/zinc/32/28/51/291322851.db2.gz JBTANQKXLWDJRL-MFKMUULPSA-N 2 2 293.415 0.242 20 0 CCADLP Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000564944105 291322852 /nfs/dbraw/zinc/32/28/52/291322852.db2.gz JBTANQKXLWDJRL-MFKMUULPSA-N 2 2 293.415 0.242 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000564951796 291324711 /nfs/dbraw/zinc/32/47/11/291324711.db2.gz RNKQQDKNPMRDSG-QWRGUYRKSA-N 2 2 286.339 0.533 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCNC(=O)OC(C)(C)C ZINC000496455001 240084078 /nfs/dbraw/zinc/08/40/78/240084078.db2.gz SKZCOXFLNWJSNJ-GFCCVEGCSA-N 2 2 289.420 0.756 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCNC(=O)OC(C)(C)C ZINC000496455001 240084092 /nfs/dbraw/zinc/08/40/92/240084092.db2.gz SKZCOXFLNWJSNJ-GFCCVEGCSA-N 2 2 289.420 0.756 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCNC(=O)OC(C)(C)C ZINC000496455001 240084103 /nfs/dbraw/zinc/08/41/03/240084103.db2.gz SKZCOXFLNWJSNJ-GFCCVEGCSA-N 2 2 289.420 0.756 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCNC(=O)OC(C)(C)C ZINC000496455001 240084118 /nfs/dbraw/zinc/08/41/18/240084118.db2.gz SKZCOXFLNWJSNJ-GFCCVEGCSA-N 2 2 289.420 0.756 20 0 CCADLP C[C@H](CCO)CC[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000564979150 291329899 /nfs/dbraw/zinc/32/98/99/291329899.db2.gz QWSQGVNPHRRFHZ-YJNKXOJESA-N 2 2 288.432 0.455 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCOC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000615268466 364899252 /nfs/dbraw/zinc/89/92/52/364899252.db2.gz HJVWKGNJRZRDEU-ZIAGYGMSSA-N 2 2 292.383 0.582 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCOC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000615268466 364899258 /nfs/dbraw/zinc/89/92/58/364899258.db2.gz HJVWKGNJRZRDEU-ZIAGYGMSSA-N 2 2 292.383 0.582 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615536392 364995771 /nfs/dbraw/zinc/99/57/71/364995771.db2.gz IPAFXSMWSZTPNW-GJZGRUSLSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615536392 364995778 /nfs/dbraw/zinc/99/57/78/364995778.db2.gz IPAFXSMWSZTPNW-GJZGRUSLSA-N 2 2 295.427 0.794 20 0 CCADLP C[C@@H](CNC(=O)NCc1c[nH+]cn1C)C[NH+]1CCOCC1 ZINC000574128282 334994415 /nfs/dbraw/zinc/99/44/15/334994415.db2.gz SISANZVASJWYHV-LBPRGKRZSA-N 2 2 295.387 0.188 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](OCc2ccncc2)C1 ZINC000565165174 291350811 /nfs/dbraw/zinc/35/08/11/291350811.db2.gz QVOFXCZXRIELTB-HZPDHXFCSA-N 2 2 293.411 0.985 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](OCc2ccncc2)C1 ZINC000565165174 291350812 /nfs/dbraw/zinc/35/08/12/291350812.db2.gz QVOFXCZXRIELTB-HZPDHXFCSA-N 2 2 293.411 0.985 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000565165174 291350813 /nfs/dbraw/zinc/35/08/13/291350813.db2.gz QVOFXCZXRIELTB-HZPDHXFCSA-N 2 2 293.411 0.985 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000565165174 291350816 /nfs/dbraw/zinc/35/08/16/291350816.db2.gz QVOFXCZXRIELTB-HZPDHXFCSA-N 2 2 293.411 0.985 20 0 CCADLP COCCN(CC[NH+](C)C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000565180401 291353174 /nfs/dbraw/zinc/35/31/74/291353174.db2.gz JBMJKIKVBQXOLE-LBPRGKRZSA-N 2 2 282.388 0.625 20 0 CCADLP COCCN(CC[NH+](C)C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000565180401 291353175 /nfs/dbraw/zinc/35/31/75/291353175.db2.gz JBMJKIKVBQXOLE-LBPRGKRZSA-N 2 2 282.388 0.625 20 0 CCADLP Cn1cc[nH+]c1[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(C)(C)CO ZINC000616863323 365462579 /nfs/dbraw/zinc/46/25/79/365462579.db2.gz MBYAHUKBBWCLDT-RYUDHWBXSA-N 2 2 294.399 0.548 20 0 CCADLP Cn1cc[nH+]c1[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C(C)(C)CO ZINC000616863323 365462584 /nfs/dbraw/zinc/46/25/84/365462584.db2.gz MBYAHUKBBWCLDT-RYUDHWBXSA-N 2 2 294.399 0.548 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000616866878 365464997 /nfs/dbraw/zinc/46/49/97/365464997.db2.gz JYHBJAULKUDAJD-CYBMUJFWSA-N 2 2 296.415 0.938 20 0 CCADLP Cn1cc[nH+]c1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C(C)(C)CO ZINC000616868596 365466463 /nfs/dbraw/zinc/46/64/63/365466463.db2.gz QRIHQHDTEYJBAW-VXGBXAGGSA-N 2 2 294.399 0.690 20 0 CCADLP Cn1cc[nH+]c1[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C(C)(C)CO ZINC000616868596 365466468 /nfs/dbraw/zinc/46/64/68/365466468.db2.gz QRIHQHDTEYJBAW-VXGBXAGGSA-N 2 2 294.399 0.690 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000565214141 291361480 /nfs/dbraw/zinc/36/14/80/291361480.db2.gz PQSUUFHTPSXRPS-UHFFFAOYSA-N 2 2 290.371 0.591 20 0 CCADLP COc1c(N)[nH+]cnc1NC[C@@]1([NH+](C)C)CCSC1 ZINC000565228080 291363866 /nfs/dbraw/zinc/36/38/66/291363866.db2.gz FJOHLBHMECAWDV-LBPRGKRZSA-N 2 2 283.401 0.339 20 0 CCADLP CC(C)(C(=O)NC[C@H]1CCC[N@@H+]1CCCO)c1c[nH]c[nH+]1 ZINC000622073374 367006943 /nfs/dbraw/zinc/00/69/43/367006943.db2.gz ZHNKIVIMJSDKIT-GFCCVEGCSA-N 2 2 294.399 0.650 20 0 CCADLP CC(C)(C(=O)NC[C@H]1CCC[N@H+]1CCCO)c1c[nH]c[nH+]1 ZINC000622073374 367006949 /nfs/dbraw/zinc/00/69/49/367006949.db2.gz ZHNKIVIMJSDKIT-GFCCVEGCSA-N 2 2 294.399 0.650 20 0 CCADLP CC(C)(C(=O)NC[C@H]1CCC[N@@H+]1CCCO)c1c[nH+]c[nH]1 ZINC000622073374 367006957 /nfs/dbraw/zinc/00/69/57/367006957.db2.gz ZHNKIVIMJSDKIT-GFCCVEGCSA-N 2 2 294.399 0.650 20 0 CCADLP CC(C)(C(=O)NC[C@H]1CCC[N@H+]1CCCO)c1c[nH+]c[nH]1 ZINC000622073374 367006963 /nfs/dbraw/zinc/00/69/63/367006963.db2.gz ZHNKIVIMJSDKIT-GFCCVEGCSA-N 2 2 294.399 0.650 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000565307220 291371441 /nfs/dbraw/zinc/37/14/41/291371441.db2.gz LJPBJFWODCQYFE-XQQFMLRXSA-N 2 2 269.389 0.211 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000565307220 291371442 /nfs/dbraw/zinc/37/14/42/291371442.db2.gz LJPBJFWODCQYFE-XQQFMLRXSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@H]([NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)C(=O)Nc1ncccn1 ZINC000574143781 334995417 /nfs/dbraw/zinc/99/54/17/334995417.db2.gz SBJXDZCURSWNJB-WHOHXGKFSA-N 2 2 277.372 0.780 20 0 CCADLP CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623178980 367467391 /nfs/dbraw/zinc/46/73/91/367467391.db2.gz PMRORNBPZCLJPB-NWDGAFQWSA-N 2 2 276.384 0.950 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C[NH2+]1 ZINC000623180690 367468861 /nfs/dbraw/zinc/46/88/61/367468861.db2.gz UPSBJSMPKGGNKD-UTUOFQBUSA-N 2 2 262.357 0.702 20 0 CCADLP CN(CCC[NH2+]Cc1c[nH+]c2n1CCC2)CC[NH+](C)C ZINC000623087473 367446300 /nfs/dbraw/zinc/44/63/00/367446300.db2.gz TVAOMQOYKGQRCZ-UHFFFAOYSA-N 3 2 279.432 0.802 20 0 CCADLP O=C(NC[C@H]1CCCC[NH2+]1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623175645 367463072 /nfs/dbraw/zinc/46/30/72/367463072.db2.gz FJVZGMFUVFAODF-VXGBXAGGSA-N 2 2 262.357 0.704 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)NCCC[NH+](C)C)c1 ZINC000623366341 367546436 /nfs/dbraw/zinc/54/64/36/367546436.db2.gz WGJPWQOFHKZNFQ-UHFFFAOYSA-N 2 2 253.350 0.214 20 0 CCADLP CC(C)[C@H](C(=O)N[C@H]1Cc2c[nH+]cn2C1)[NH+](C)C ZINC000623264952 367504134 /nfs/dbraw/zinc/50/41/34/367504134.db2.gz XRMABVLANBYHKZ-CMPLNLGQSA-N 2 2 250.346 0.510 20 0 CCADLP C[NH2+]CCCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000566289263 291390008 /nfs/dbraw/zinc/39/00/08/291390008.db2.gz QLDMWJSZNRDBEX-UHFFFAOYSA-N 2 2 260.341 0.911 20 0 CCADLP CC(C)n1ccnc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000623620421 367607606 /nfs/dbraw/zinc/60/76/06/367607606.db2.gz PHGAEXGUQVDFOV-ZDUSSCGKSA-N 2 2 293.415 0.893 20 0 CCADLP CC(C)n1ccnc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000623620421 367607609 /nfs/dbraw/zinc/60/76/09/367607609.db2.gz PHGAEXGUQVDFOV-ZDUSSCGKSA-N 2 2 293.415 0.893 20 0 CCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623707571 367625462 /nfs/dbraw/zinc/62/54/62/367625462.db2.gz DLYJPNARXFMKIJ-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623707571 367625470 /nfs/dbraw/zinc/62/54/70/367625470.db2.gz DLYJPNARXFMKIJ-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000623638835 367612916 /nfs/dbraw/zinc/61/29/16/367612916.db2.gz UFQYIBQAFAFMHG-KBPBESRZSA-N 2 2 294.399 0.807 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC3COC3)C2)CC1 ZINC000623638699 367613539 /nfs/dbraw/zinc/61/35/39/367613539.db2.gz PCXYPHJUAOHFFX-CYBMUJFWSA-N 2 2 296.415 0.101 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC3COC3)C2)CC1 ZINC000623638699 367613546 /nfs/dbraw/zinc/61/35/46/367613546.db2.gz PCXYPHJUAOHFFX-CYBMUJFWSA-N 2 2 296.415 0.101 20 0 CCADLP CC(C)[C@H]1C[C@@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)CCO1 ZINC000623758683 367646865 /nfs/dbraw/zinc/64/68/65/367646865.db2.gz KTEVUOQRGKFXLR-BFHYXJOUSA-N 2 2 256.390 0.846 20 0 CCADLP CC(C)[C@H]1C[C@@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)CCO1 ZINC000623758683 367646870 /nfs/dbraw/zinc/64/68/70/367646870.db2.gz KTEVUOQRGKFXLR-BFHYXJOUSA-N 2 2 256.390 0.846 20 0 CCADLP O[C@@H]1CC[N@H+](CC[NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000623757947 367647322 /nfs/dbraw/zinc/64/73/22/367647322.db2.gz JJXJHQYHDMHGOI-LLVKDONJSA-N 2 2 260.341 0.719 20 0 CCADLP O[C@@H]1CC[N@@H+](CC[NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000623757947 367647328 /nfs/dbraw/zinc/64/73/28/367647328.db2.gz JJXJHQYHDMHGOI-LLVKDONJSA-N 2 2 260.341 0.719 20 0 CCADLP C[C@@H]1[C@H]([NH2+]Cc2c[nH+]ccc2N(C)C)CCS1(=O)=O ZINC000623719850 367633482 /nfs/dbraw/zinc/63/34/82/367633482.db2.gz MSUTZGPJWJDLIT-ZYHUDNBSSA-N 2 2 283.397 0.813 20 0 CCADLP Nc1nc(N)[nH+]c(N2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000623866802 367683182 /nfs/dbraw/zinc/68/31/82/367683182.db2.gz GSGQQBWESCOLNF-UHFFFAOYSA-N 2 2 277.376 0.009 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)[C@@H]1CCCCO1 ZINC000624087098 367749733 /nfs/dbraw/zinc/74/97/33/367749733.db2.gz HMMNWKORGGPXKX-RDBSUJKOSA-N 2 2 283.416 0.873 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)[C@@H]1CCCCO1 ZINC000624087098 367749738 /nfs/dbraw/zinc/74/97/38/367749738.db2.gz HMMNWKORGGPXKX-RDBSUJKOSA-N 2 2 283.416 0.873 20 0 CCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1nc(N)[nH+]c(N)n1 ZINC000623963424 367711227 /nfs/dbraw/zinc/71/12/27/367711227.db2.gz HFMWFXFRRPFSHD-LLVKDONJSA-N 2 2 299.382 0.407 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1nc(N)[nH+]c(N)n1 ZINC000623963424 367711231 /nfs/dbraw/zinc/71/12/31/367711231.db2.gz HFMWFXFRRPFSHD-LLVKDONJSA-N 2 2 299.382 0.407 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000624194668 367786208 /nfs/dbraw/zinc/78/62/08/367786208.db2.gz MXLIXWQPSJKQHA-KGLIPLIRSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000624194668 367786214 /nfs/dbraw/zinc/78/62/14/367786214.db2.gz MXLIXWQPSJKQHA-KGLIPLIRSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH+]1CCC[C@H](CCNC(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000624194668 367786224 /nfs/dbraw/zinc/78/62/24/367786224.db2.gz MXLIXWQPSJKQHA-KGLIPLIRSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH+]1CCC[C@H](CCNC(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000624194668 367786228 /nfs/dbraw/zinc/78/62/28/367786228.db2.gz MXLIXWQPSJKQHA-KGLIPLIRSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)c1cccc(CO)c1 ZINC000624229421 367796792 /nfs/dbraw/zinc/79/67/92/367796792.db2.gz TVMAPKOFJKXEMB-SWLSCSKDSA-N 2 2 264.369 0.896 20 0 CCADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)c1cccc(CO)c1 ZINC000624229421 367796796 /nfs/dbraw/zinc/79/67/96/367796796.db2.gz TVMAPKOFJKXEMB-SWLSCSKDSA-N 2 2 264.369 0.896 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000262713422 284004634 /nfs/dbraw/zinc/00/46/34/284004634.db2.gz SLFCQVSVSBREQP-SCRDCRAPSA-N 2 2 271.405 0.729 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)CC1 ZINC000625774013 368327343 /nfs/dbraw/zinc/32/73/43/368327343.db2.gz AGOHOISSPKCQRQ-OLZOCXBDSA-N 2 2 283.441 0.730 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)CC1 ZINC000625774013 368327349 /nfs/dbraw/zinc/32/73/49/368327349.db2.gz AGOHOISSPKCQRQ-OLZOCXBDSA-N 2 2 283.441 0.730 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCc2c(O)cccc2C1 ZINC000626028213 368401835 /nfs/dbraw/zinc/40/18/35/368401835.db2.gz BIRHUMQUDKIBMG-CQSZACIVSA-N 2 2 294.395 0.689 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCc2c(O)cccc2C1 ZINC000626028213 368401840 /nfs/dbraw/zinc/40/18/40/368401840.db2.gz BIRHUMQUDKIBMG-CQSZACIVSA-N 2 2 294.395 0.689 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCc2c(O)cccc2C1 ZINC000626028213 368401847 /nfs/dbraw/zinc/40/18/47/368401847.db2.gz BIRHUMQUDKIBMG-CQSZACIVSA-N 2 2 294.395 0.689 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCc2c(O)cccc2C1 ZINC000626028213 368401852 /nfs/dbraw/zinc/40/18/52/368401852.db2.gz BIRHUMQUDKIBMG-CQSZACIVSA-N 2 2 294.395 0.689 20 0 CCADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626077497 368428468 /nfs/dbraw/zinc/42/84/68/368428468.db2.gz LGDACNBRLMGRJZ-CYBMUJFWSA-N 2 2 280.372 0.548 20 0 CCADLP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626077497 368428473 /nfs/dbraw/zinc/42/84/73/368428473.db2.gz LGDACNBRLMGRJZ-CYBMUJFWSA-N 2 2 280.372 0.548 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626078108 368429531 /nfs/dbraw/zinc/42/95/31/368429531.db2.gz XUYJEWUADVFOKM-LBPRGKRZSA-N 2 2 266.345 0.158 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626078108 368429533 /nfs/dbraw/zinc/42/95/33/368429533.db2.gz XUYJEWUADVFOKM-LBPRGKRZSA-N 2 2 266.345 0.158 20 0 CCADLP CC[C@H](C(N)=O)[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000626088283 368435985 /nfs/dbraw/zinc/43/59/85/368435985.db2.gz RQTVJSWFMFYOKM-CYBMUJFWSA-N 2 2 283.416 0.827 20 0 CCADLP C[C@@H]([NH2+]CCC[NH+](C)C)C1CCS(=O)(=O)CC1 ZINC000353910352 296122402 /nfs/dbraw/zinc/12/24/02/296122402.db2.gz CRSAQLHYRFCMEN-LLVKDONJSA-N 2 2 262.419 0.741 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCCOCC[NH+](C)C)CC2 ZINC000626374705 368529839 /nfs/dbraw/zinc/52/98/39/368529839.db2.gz HBDDWYGUUGTXCG-ZDUSSCGKSA-N 2 2 294.399 0.448 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000626889758 368668404 /nfs/dbraw/zinc/66/84/04/368668404.db2.gz ZVFJZASCEKQZGA-VHSXEESVSA-N 2 2 292.339 0.285 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)NCc2[nH+]ccn2C)C[NH2+]1 ZINC000626969513 368701909 /nfs/dbraw/zinc/70/19/09/368701909.db2.gz XNEDGAQQBCFPKM-NXEZZACHSA-N 2 2 251.334 0.360 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000626934851 368686427 /nfs/dbraw/zinc/68/64/27/368686427.db2.gz PCKOCLSQGIMVDB-JHJVBQTASA-N 2 2 284.404 0.147 20 0 CCADLP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000627015874 368738845 /nfs/dbraw/zinc/73/88/45/368738845.db2.gz BXNODOZCPCAKHP-GFCCVEGCSA-N 2 2 295.387 0.075 20 0 CCADLP CC[C@H](NC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1C)c1[nH]cc[nH+]1 ZINC000330589022 203008711 /nfs/dbraw/zinc/00/87/11/203008711.db2.gz XYLUSQWRVXWFIZ-DCAQKATOSA-N 2 2 266.345 0.696 20 0 CCADLP CC[C@H](NC(=O)[C@@H]1C[C@H](OC)C[N@H+]1C)c1[nH]cc[nH+]1 ZINC000330589022 203008715 /nfs/dbraw/zinc/00/87/15/203008715.db2.gz XYLUSQWRVXWFIZ-DCAQKATOSA-N 2 2 266.345 0.696 20 0 CCADLP O=S(=O)(CCC[NH+]1CCCC1)N1CC(n2cc[nH+]c2)C1 ZINC000632199462 370917047 /nfs/dbraw/zinc/91/70/47/370917047.db2.gz YBXKMVCWIHAYKE-UHFFFAOYSA-N 2 2 298.412 0.556 20 0 CCADLP C[NH+](C)C1(CS(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000632241336 370935202 /nfs/dbraw/zinc/93/52/02/370935202.db2.gz HFZFIRSWGVMPMP-LLVKDONJSA-N 2 2 298.412 0.212 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627049073 368755345 /nfs/dbraw/zinc/75/53/45/368755345.db2.gz OOSCGMDMSBFLHG-MNOVXSKESA-N 2 2 265.361 0.843 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000627184156 368853819 /nfs/dbraw/zinc/85/38/19/368853819.db2.gz RQWXJGGBCMJUGX-QWHCGFSZSA-N 2 2 284.404 0.087 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000627184156 368853823 /nfs/dbraw/zinc/85/38/23/368853823.db2.gz RQWXJGGBCMJUGX-QWHCGFSZSA-N 2 2 284.404 0.087 20 0 CCADLP C[N@H+](CC(=O)N1CCc2[nH]c[nH+]c2C1)[C@H]1CCSC1 ZINC000627369867 368970674 /nfs/dbraw/zinc/97/06/74/368970674.db2.gz GLRSEEVFMHLSKI-JTQLQIEISA-N 2 2 280.397 0.732 20 0 CCADLP C[N@@H+](CC(=O)N1CCc2[nH]c[nH+]c2C1)[C@H]1CCSC1 ZINC000627369867 368970678 /nfs/dbraw/zinc/97/06/78/368970678.db2.gz GLRSEEVFMHLSKI-JTQLQIEISA-N 2 2 280.397 0.732 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1C[C@H]3[C@@H](C1)[C@@H]3[NH+](C)C)CC2 ZINC000627657192 369070346 /nfs/dbraw/zinc/07/03/46/369070346.db2.gz VIYXAJYJSHKRCZ-CXTNEJHOSA-N 2 2 288.395 0.772 20 0 CCADLP CC[C@H](C(=O)N1CC[NH+](CCCF)CC1)[NH+](C)C ZINC000627960283 369147485 /nfs/dbraw/zinc/14/74/85/369147485.db2.gz WLUYXOUQEBYFKY-GFCCVEGCSA-N 2 2 259.369 0.830 20 0 CCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C1CC(F)(F)C1 ZINC000628209948 369212774 /nfs/dbraw/zinc/21/27/74/369212774.db2.gz ZTILOFGJONKSEZ-JTQLQIEISA-N 2 2 275.343 0.784 20 0 CCADLP Cc1c[nH]c(CN2CC[NH+](C[C@@H]3CCOC3)CC2)[nH+]1 ZINC000628187049 369208130 /nfs/dbraw/zinc/20/81/30/369208130.db2.gz CUFOLQGYWRKKAD-ZDUSSCGKSA-N 2 2 264.373 0.872 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cnc(C2CC2)o1 ZINC000628230188 369220237 /nfs/dbraw/zinc/22/02/37/369220237.db2.gz VZLMJFDQLCVDIZ-ZDUSSCGKSA-N 2 2 253.346 0.954 20 0 CCADLP COCCOCC[NH+]1CCN(Cc2[nH]c(C)c(C)[nH+]2)CC1 ZINC000628326173 369242503 /nfs/dbraw/zinc/24/25/03/369242503.db2.gz TWFLWBIGKHHGLR-UHFFFAOYSA-N 2 2 296.415 0.807 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000227458103 189784514 /nfs/dbraw/zinc/78/45/14/189784514.db2.gz SARHEWVUUZMBOJ-UPJWGTAASA-N 2 2 269.389 0.211 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000628749035 369375378 /nfs/dbraw/zinc/37/53/78/369375378.db2.gz ZZLVTZVQLVXJTH-LBPRGKRZSA-N 2 2 264.373 0.811 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000628749035 369375382 /nfs/dbraw/zinc/37/53/82/369375382.db2.gz ZZLVTZVQLVXJTH-LBPRGKRZSA-N 2 2 264.373 0.811 20 0 CCADLP CCn1cc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cn1 ZINC000330884661 203350752 /nfs/dbraw/zinc/35/07/52/203350752.db2.gz PRMHTLFUDMYLTP-AAEUAGOBSA-N 2 2 252.362 0.620 20 0 CCADLP CCn1cc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cn1 ZINC000330884661 203350756 /nfs/dbraw/zinc/35/07/56/203350756.db2.gz PRMHTLFUDMYLTP-AAEUAGOBSA-N 2 2 252.362 0.620 20 0 CCADLP CCOC(=O)[C@](C)(O)C[NH+]1CCC([NH+](C)C)CC1 ZINC000330926509 203394864 /nfs/dbraw/zinc/39/48/64/203394864.db2.gz VVRYEESETMLMEE-CYBMUJFWSA-N 2 2 258.362 0.327 20 0 CCADLP C[NH2+]CCOCC[N@H+](C)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000629569683 369713969 /nfs/dbraw/zinc/71/39/69/369713969.db2.gz QXLYNDMPCSHDAS-ZDUSSCGKSA-N 2 2 283.347 0.520 20 0 CCADLP C[NH2+]CCOCC[N@@H+](C)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000629569683 369713974 /nfs/dbraw/zinc/71/39/74/369713974.db2.gz QXLYNDMPCSHDAS-ZDUSSCGKSA-N 2 2 283.347 0.520 20 0 CCADLP [NH3+]C1(C[NH2+]CCS(=O)(=O)c2ccccn2)CCC1 ZINC000629518379 369688953 /nfs/dbraw/zinc/68/89/53/369688953.db2.gz IFQWHCAQKHNMLR-UHFFFAOYSA-N 2 2 269.370 0.326 20 0 CCADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCS(=O)(=O)c3ccccn3)C[C@H]12 ZINC000629517967 369689646 /nfs/dbraw/zinc/68/96/46/369689646.db2.gz CBMCKDKOZUWSFE-FRRDWIJNSA-N 2 2 295.408 0.524 20 0 CCADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCS(=O)(=O)c3ccccn3)C[C@H]12 ZINC000629517967 369689653 /nfs/dbraw/zinc/68/96/53/369689653.db2.gz CBMCKDKOZUWSFE-FRRDWIJNSA-N 2 2 295.408 0.524 20 0 CCADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CCS(=O)(=O)c1ccccn1 ZINC000629537860 369696513 /nfs/dbraw/zinc/69/65/13/369696513.db2.gz REMPMHIIMJIVJR-NSHDSACASA-N 2 2 285.413 0.818 20 0 CCADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCOC1CCOCC1)C2 ZINC000629545843 369699699 /nfs/dbraw/zinc/69/96/99/369699699.db2.gz ADXLZKWHYNSDIN-OCCSQVGLSA-N 2 2 254.374 0.995 20 0 CCADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCOC1CCOCC1)C2 ZINC000629545843 369699702 /nfs/dbraw/zinc/69/97/02/369699702.db2.gz ADXLZKWHYNSDIN-OCCSQVGLSA-N 2 2 254.374 0.995 20 0 CCADLP [NH3+][C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000629550590 369702581 /nfs/dbraw/zinc/70/25/81/369702581.db2.gz NZACCLNFMQCEKA-NWDGAFQWSA-N 2 2 291.351 0.866 20 0 CCADLP CC[N@H+](CC[NH3+])CCN1C(=O)NC2(CCCC2)C1=O ZINC000629556957 369706996 /nfs/dbraw/zinc/70/69/96/369706996.db2.gz SLGFVXRZJOQVAT-UHFFFAOYSA-N 2 2 268.361 0.132 20 0 CCADLP CC[N@@H+](CC[NH3+])CCN1C(=O)NC2(CCCC2)C1=O ZINC000629556957 369706998 /nfs/dbraw/zinc/70/69/98/369706998.db2.gz SLGFVXRZJOQVAT-UHFFFAOYSA-N 2 2 268.361 0.132 20 0 CCADLP CN(C(=O)CCc1c[nH+]cn1C)[C@@H]1CCC[N@H+](C)C1 ZINC000276588568 193390937 /nfs/dbraw/zinc/39/09/37/193390937.db2.gz MQEBOSYPHSTMOV-CYBMUJFWSA-N 2 2 264.373 0.905 20 0 CCADLP CN(C(=O)CCc1c[nH+]cn1C)[C@@H]1CCC[N@@H+](C)C1 ZINC000276588568 193390939 /nfs/dbraw/zinc/39/09/39/193390939.db2.gz MQEBOSYPHSTMOV-CYBMUJFWSA-N 2 2 264.373 0.905 20 0 CCADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]Cc2cccc3c2NCC3)n1 ZINC000629653567 369749920 /nfs/dbraw/zinc/74/99/20/369749920.db2.gz QCUIPACMOGWHOW-UHFFFAOYSA-N 2 2 285.351 0.899 20 0 CCADLP C[C@@H](c1nnnn1-c1ccccc1)[N@H+](C)CCOCC[NH3+] ZINC000629579928 369723640 /nfs/dbraw/zinc/72/36/40/369723640.db2.gz YLIYRHSQKYINKW-LBPRGKRZSA-N 2 2 290.371 0.630 20 0 CCADLP C[C@@H](c1nnnn1-c1ccccc1)[N@@H+](C)CCOCC[NH3+] ZINC000629579928 369723644 /nfs/dbraw/zinc/72/36/44/369723644.db2.gz YLIYRHSQKYINKW-LBPRGKRZSA-N 2 2 290.371 0.630 20 0 CCADLP OC[C@@H](CC(F)F)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629583572 369726890 /nfs/dbraw/zinc/72/68/90/369726890.db2.gz CNPWLFYOTKMDIW-ZJUUUORDSA-N 2 2 252.305 0.049 20 0 CCADLP C[C@H]1CN(C(=O)C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C[C@H](C)O1 ZINC000629584850 369728514 /nfs/dbraw/zinc/72/85/14/369728514.db2.gz VPJREZBODFEFJC-DARAHFNDSA-N 2 2 295.427 0.554 20 0 CCADLP C[C@H]1CN(C(=O)C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C[C@H](C)O1 ZINC000629584850 369728517 /nfs/dbraw/zinc/72/85/17/369728517.db2.gz VPJREZBODFEFJC-DARAHFNDSA-N 2 2 295.427 0.554 20 0 CCADLP CCN(CC[NH3+])C(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000629795582 369778282 /nfs/dbraw/zinc/77/82/82/369778282.db2.gz ZDBVUHYPVHTGCX-LLVKDONJSA-N 2 2 293.371 0.271 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)C[N@H+](C)C2CCC2)n1C ZINC000629960653 369855860 /nfs/dbraw/zinc/85/58/60/369855860.db2.gz RIJZPLMVSUPSHW-UHFFFAOYSA-N 2 2 279.388 0.587 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)C[N@@H+](C)C2CCC2)n1C ZINC000629960653 369855864 /nfs/dbraw/zinc/85/58/64/369855864.db2.gz RIJZPLMVSUPSHW-UHFFFAOYSA-N 2 2 279.388 0.587 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)C[NH+](C)C2CCC2)[C@@H](C)CO1 ZINC000630019240 369900215 /nfs/dbraw/zinc/90/02/15/369900215.db2.gz WVPIMUHJNZEGGY-STQMWFEESA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)C[NH+](C)C2CCC2)[C@@H](C)CO1 ZINC000630019240 369900219 /nfs/dbraw/zinc/90/02/19/369900219.db2.gz WVPIMUHJNZEGGY-STQMWFEESA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)C[N@H+](C)C2CCC2)[C@@H](C)CO1 ZINC000630019240 369900223 /nfs/dbraw/zinc/90/02/23/369900223.db2.gz WVPIMUHJNZEGGY-STQMWFEESA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)C[N@@H+](C)C2CCC2)[C@@H](C)CO1 ZINC000630019240 369900228 /nfs/dbraw/zinc/90/02/28/369900228.db2.gz WVPIMUHJNZEGGY-STQMWFEESA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C[NH+](C)C2CCC2)[C@H](C)CO1 ZINC000630019236 369900407 /nfs/dbraw/zinc/90/04/07/369900407.db2.gz WVPIMUHJNZEGGY-CHWSQXEVSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C[NH+](C)C2CCC2)[C@H](C)CO1 ZINC000630019236 369900410 /nfs/dbraw/zinc/90/04/10/369900410.db2.gz WVPIMUHJNZEGGY-CHWSQXEVSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)C[N@H+](C)C2CCC2)[C@H](C)CO1 ZINC000630019236 369900413 /nfs/dbraw/zinc/90/04/13/369900413.db2.gz WVPIMUHJNZEGGY-CHWSQXEVSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)C[N@@H+](C)C2CCC2)[C@H](C)CO1 ZINC000630019236 369900418 /nfs/dbraw/zinc/90/04/18/369900418.db2.gz WVPIMUHJNZEGGY-CHWSQXEVSA-N 2 2 283.416 0.696 20 0 CCADLP C[NH+](C)C1CC[NH+](C[C@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000630034608 369906711 /nfs/dbraw/zinc/90/67/11/369906711.db2.gz BCPATMUPYFUGKR-CABCVRRESA-N 2 2 270.417 0.924 20 0 CCADLP c1cc(C[N@@H+]2CCO[C@@H](CNC3=[NH+]CCCN3)C2)ccn1 ZINC000630387605 370088926 /nfs/dbraw/zinc/08/89/26/370088926.db2.gz UIIMZJBYCFAKST-AWEZNQCLSA-N 2 2 289.383 0.221 20 0 CCADLP c1cc(C[N@H+]2CCO[C@@H](CNC3=[NH+]CCCN3)C2)ccn1 ZINC000630387605 370088929 /nfs/dbraw/zinc/08/89/29/370088929.db2.gz UIIMZJBYCFAKST-AWEZNQCLSA-N 2 2 289.383 0.221 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000630546320 370161222 /nfs/dbraw/zinc/16/12/22/370161222.db2.gz OYSPEWXHXKLUPS-RWMBFGLXSA-N 2 2 291.399 0.848 20 0 CCADLP Nc1c(NC2CC[NH2+]CC2)[nH+]cnc1-n1cccn1 ZINC000630550111 370163856 /nfs/dbraw/zinc/16/38/56/370163856.db2.gz UFFRJBGVFWZHBI-UHFFFAOYSA-N 2 2 259.317 0.408 20 0 CCADLP CC(C)[C@H]([NH3+])c1cn(CC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000630612268 370209954 /nfs/dbraw/zinc/20/99/54/370209954.db2.gz SYCQWEMEBCUFRS-AWEZNQCLSA-N 3 2 282.436 0.817 20 0 CCADLP CC(C)[C@H]([NH3+])c1cn(CC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000630612268 370209958 /nfs/dbraw/zinc/20/99/58/370209958.db2.gz SYCQWEMEBCUFRS-AWEZNQCLSA-N 3 2 282.436 0.817 20 0 CCADLP COCC[N@H+](C)Cc1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630604026 370202441 /nfs/dbraw/zinc/20/24/41/370202441.db2.gz ONBVJXYHGUKLBB-NSHDSACASA-N 2 2 253.350 0.108 20 0 CCADLP COCC[N@@H+](C)Cc1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630604026 370202446 /nfs/dbraw/zinc/20/24/46/370202446.db2.gz ONBVJXYHGUKLBB-NSHDSACASA-N 2 2 253.350 0.108 20 0 CCADLP [NH3+]Cc1cccc(-n2cc([C@H]3COCC[NH2+]3)nn2)c1 ZINC000630607237 370205372 /nfs/dbraw/zinc/20/53/72/370205372.db2.gz DVRZHIPIFHQPSZ-CYBMUJFWSA-N 2 2 259.313 0.387 20 0 CCADLP Cc1cc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)on1 ZINC000631063201 370372840 /nfs/dbraw/zinc/37/28/40/370372840.db2.gz HSOUKZSAMOCJDL-UHFFFAOYSA-N 2 2 266.345 0.237 20 0 CCADLP CC(=O)Nc1cccc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000631068884 370374735 /nfs/dbraw/zinc/37/47/35/370374735.db2.gz IOZQFQWGXROTNZ-MRXNPFEDSA-N 2 2 290.411 0.980 20 0 CCADLP CC(=O)Nc1cccc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000631068884 370374741 /nfs/dbraw/zinc/37/47/41/370374741.db2.gz IOZQFQWGXROTNZ-MRXNPFEDSA-N 2 2 290.411 0.980 20 0 CCADLP Cc1nc(N2CCC([NH2+]C(C)C)CC2)nc(N)[nH+]1 ZINC000631096433 370382529 /nfs/dbraw/zinc/38/25/29/370382529.db2.gz XXLNGTLZZRWOFB-UHFFFAOYSA-N 2 2 250.350 0.559 20 0 CCADLP Cc1nc(N)nc(N2CCC([NH2+]C(C)C)CC2)[nH+]1 ZINC000631096433 370382531 /nfs/dbraw/zinc/38/25/31/370382531.db2.gz XXLNGTLZZRWOFB-UHFFFAOYSA-N 2 2 250.350 0.559 20 0 CCADLP Cc1nc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)nc(N)[nH+]1 ZINC000631276164 370449748 /nfs/dbraw/zinc/44/97/48/370449748.db2.gz LGOBVXJNHUGRAV-GXSJLCMTSA-N 2 2 262.361 0.656 20 0 CCADLP C[NH+](C)C1(CNS(=O)(=O)CC2([NH+](C)C)CC2)CC1 ZINC000632488916 371101439 /nfs/dbraw/zinc/10/14/39/371101439.db2.gz RXBMXEZEKBPPMD-UHFFFAOYSA-N 2 2 275.418 0.094 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCN(Cc2ncc[nH]2)CC1 ZINC000331863291 204243066 /nfs/dbraw/zinc/24/30/66/204243066.db2.gz RGGJWEXUXRPUGI-UHFFFAOYSA-N 2 2 274.372 0.732 20 0 CCADLP C[C@@H]1CCN(C(=O)NC[C@H]([NH3+])C2CC2)C[C@@H]1C[NH3+] ZINC000331933615 204309206 /nfs/dbraw/zinc/30/92/06/204309206.db2.gz WSRIKVKHIFSUOP-USWWRNFRSA-N 2 2 254.378 0.350 20 0 CCADLP Cc1cc(NC(=O)N2CCC([NH2+]CCO)CC2)cc[nH+]1 ZINC000632926840 371328764 /nfs/dbraw/zinc/32/87/64/371328764.db2.gz FMNFSIPSRXCHEL-UHFFFAOYSA-N 2 2 278.356 0.390 20 0 CCADLP C[C@H](NC(=O)N(C)Cc1[nH]cc[nH+]1)[C@@H]1C[N@H+](C)CCO1 ZINC000633128746 371408203 /nfs/dbraw/zinc/40/82/03/371408203.db2.gz GFQRUJSZOKDUPA-QWRGUYRKSA-N 2 2 281.360 0.270 20 0 CCADLP C[C@H](NC(=O)N(C)Cc1[nH]cc[nH+]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000633128746 371408205 /nfs/dbraw/zinc/40/82/05/371408205.db2.gz GFQRUJSZOKDUPA-QWRGUYRKSA-N 2 2 281.360 0.270 20 0 CCADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000633042948 371375008 /nfs/dbraw/zinc/37/50/08/371375008.db2.gz WUBKPXBFQFXDGU-VHSXEESVSA-N 2 2 287.323 0.221 20 0 CCADLP Cc1ccc(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)c(C)[nH+]1 ZINC000633043013 371375135 /nfs/dbraw/zinc/37/51/35/371375135.db2.gz XJXLICVANGVDIM-MWLCHTKSSA-N 2 2 276.340 0.585 20 0 CCADLP C[NH+]1CCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000567828228 291521735 /nfs/dbraw/zinc/52/17/35/291521735.db2.gz FYACZYSQSUBHHF-ZDUSSCGKSA-N 2 2 277.372 0.195 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1C[C@@H](CO)[C@H](C(F)(F)F)C1)C1CC1 ZINC000640043125 376207813 /nfs/dbraw/zinc/20/78/13/376207813.db2.gz CDJDPCMGUXKDHX-ZMLRMANQSA-N 2 2 296.333 0.544 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1C[C@@H](CO)[C@H](C(F)(F)F)C1)C1CC1 ZINC000640043125 376207818 /nfs/dbraw/zinc/20/78/18/376207818.db2.gz CDJDPCMGUXKDHX-ZMLRMANQSA-N 2 2 296.333 0.544 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1)C1CC1 ZINC000640043125 376207825 /nfs/dbraw/zinc/20/78/25/376207825.db2.gz CDJDPCMGUXKDHX-ZMLRMANQSA-N 2 2 296.333 0.544 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1)C1CC1 ZINC000640043125 376207830 /nfs/dbraw/zinc/20/78/30/376207830.db2.gz CDJDPCMGUXKDHX-ZMLRMANQSA-N 2 2 296.333 0.544 20 0 CCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@H]3CCCO3)c2)CC1 ZINC000634195798 371944254 /nfs/dbraw/zinc/94/42/54/371944254.db2.gz FNNRYYYUYRVXKC-CYBMUJFWSA-N 2 2 290.367 0.951 20 0 CCADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NC[C@H]1CCCC[NH2+]1 ZINC000634272005 371993318 /nfs/dbraw/zinc/99/33/18/371993318.db2.gz XWRMFRKUOVUPMV-MCIONIFRSA-N 2 2 296.415 0.291 20 0 CCADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NC[C@H]1CCCC[NH2+]1 ZINC000634272005 371993319 /nfs/dbraw/zinc/99/33/19/371993319.db2.gz XWRMFRKUOVUPMV-MCIONIFRSA-N 2 2 296.415 0.291 20 0 CCADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(Cc2cscn2)CC1 ZINC000567904975 291533762 /nfs/dbraw/zinc/53/37/62/291533762.db2.gz VTFNDUUTKRVUCA-ZDUSSCGKSA-N 2 2 284.429 0.231 20 0 CCADLP COCC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634198681 371946509 /nfs/dbraw/zinc/94/65/09/371946509.db2.gz SKODMPHGLXHJOU-UHFFFAOYSA-N 2 2 264.329 0.418 20 0 CCADLP COc1cccc2c1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C2 ZINC000634306287 372008982 /nfs/dbraw/zinc/00/89/82/372008982.db2.gz VYYWDXHMUVWYID-ZDUSSCGKSA-N 2 2 277.368 0.816 20 0 CCADLP CN(C)C(=O)C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634698444 372146212 /nfs/dbraw/zinc/14/62/12/372146212.db2.gz LVHGQZJXMIOXKJ-INIZCTEOSA-N 2 2 291.395 0.301 20 0 CCADLP CN(C)C(=O)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634698444 372146218 /nfs/dbraw/zinc/14/62/18/372146218.db2.gz LVHGQZJXMIOXKJ-INIZCTEOSA-N 2 2 291.395 0.301 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC000634708610 372153912 /nfs/dbraw/zinc/15/39/12/372153912.db2.gz XDIAEIICACXNBY-YUELXQCFSA-N 2 2 298.427 0.351 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC000634708610 372153918 /nfs/dbraw/zinc/15/39/18/372153918.db2.gz XDIAEIICACXNBY-YUELXQCFSA-N 2 2 298.427 0.351 20 0 CCADLP C[C@](O)(C[C@@H](O)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000634714815 372158993 /nfs/dbraw/zinc/15/89/93/372158993.db2.gz RJZHROFHYKQTMP-ZOWXZIJZSA-N 2 2 279.384 0.769 20 0 CCADLP C[C@](O)(C[C@@H](O)C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000634714815 372159000 /nfs/dbraw/zinc/15/90/00/372159000.db2.gz RJZHROFHYKQTMP-ZOWXZIJZSA-N 2 2 279.384 0.769 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634740963 372184708 /nfs/dbraw/zinc/18/47/08/372184708.db2.gz OAGCOVXIZKVYQE-OKILXGFUSA-N 2 2 262.357 0.719 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000634743822 372189713 /nfs/dbraw/zinc/18/97/13/372189713.db2.gz FWDDHCSXYYPDPU-CYBMUJFWSA-N 2 2 264.373 0.905 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000634743822 372189716 /nfs/dbraw/zinc/18/97/16/372189716.db2.gz FWDDHCSXYYPDPU-CYBMUJFWSA-N 2 2 264.373 0.905 20 0 CCADLP C[C@@H](O)[C@@H]1CCN(c2cc(N3CC[NH2+]CC3)nc[nH+]2)C1 ZINC000634807586 372247250 /nfs/dbraw/zinc/24/72/50/372247250.db2.gz UBDBVKQIXMPIPD-VXGBXAGGSA-N 2 2 277.372 0.093 20 0 CCADLP Cn1ncc2c1nc(N)[nH+]c2N1CCCC[C@@H]1CC[NH3+] ZINC000634808920 372249564 /nfs/dbraw/zinc/24/95/64/372249564.db2.gz GOWMCZZEACSGES-SECBINFHSA-N 2 2 275.360 0.484 20 0 CCADLP Cn1ncc2c1nc(N)[nH+]c2N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000634812883 372256204 /nfs/dbraw/zinc/25/62/04/372256204.db2.gz SYNBQSYOLSWYCC-GXSJLCMTSA-N 2 2 287.371 0.354 20 0 CCADLP CC1(C)CN(CC[NH2+]CC23CC(C2)C[NH2+]3)CCO1 ZINC000634995637 372330704 /nfs/dbraw/zinc/33/07/04/372330704.db2.gz KYJJXJYFPKIAMG-UHFFFAOYSA-N 2 2 253.390 0.439 20 0 CCADLP CC1(C)C[N@H+](CCNCC23CC(C2)C[NH2+]3)CCO1 ZINC000634995637 372330710 /nfs/dbraw/zinc/33/07/10/372330710.db2.gz KYJJXJYFPKIAMG-UHFFFAOYSA-N 2 2 253.390 0.439 20 0 CCADLP CC1(C)C[N@@H+](CCNCC23CC(C2)C[NH2+]3)CCO1 ZINC000634995637 372330717 /nfs/dbraw/zinc/33/07/17/372330717.db2.gz KYJJXJYFPKIAMG-UHFFFAOYSA-N 2 2 253.390 0.439 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C1(C[NH+](C)C)CC1 ZINC000635326289 372460823 /nfs/dbraw/zinc/46/08/23/372460823.db2.gz BOYCAPRYDUUCNF-NSHDSACASA-N 2 2 250.346 0.730 20 0 CCADLP CC(C)(C[NH+]1CCOCC1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000635438551 372512406 /nfs/dbraw/zinc/51/24/06/372512406.db2.gz IRAQFHOWBAHCRO-UHFFFAOYSA-N 2 2 295.427 0.651 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)C[NH+](C)CC(C)(C)C)CCO1 ZINC000635464715 372533018 /nfs/dbraw/zinc/53/30/18/372533018.db2.gz IFXVSDWXHMZGFD-ZDUSSCGKSA-N 2 2 285.432 0.801 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)C[NH+](C)CC(C)(C)C)CCO1 ZINC000635464715 372533021 /nfs/dbraw/zinc/53/30/21/372533021.db2.gz IFXVSDWXHMZGFD-ZDUSSCGKSA-N 2 2 285.432 0.801 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)C[N@H+](C)CC(C)(C)C)CCO1 ZINC000635464715 372533025 /nfs/dbraw/zinc/53/30/25/372533025.db2.gz IFXVSDWXHMZGFD-ZDUSSCGKSA-N 2 2 285.432 0.801 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)C[N@@H+](C)CC(C)(C)C)CCO1 ZINC000635464715 372533030 /nfs/dbraw/zinc/53/30/30/372533030.db2.gz IFXVSDWXHMZGFD-ZDUSSCGKSA-N 2 2 285.432 0.801 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[NH+](CC(C)(C)O)CC2)[nH+]1 ZINC000635532191 372594756 /nfs/dbraw/zinc/59/47/56/372594756.db2.gz JNSHUWUKFXSBQK-UHFFFAOYSA-N 2 2 294.399 0.430 20 0 CCADLP [NH3+]C[C@H](NC(=O)Cc1cn2ccccc2[nH+]1)C1CC1 ZINC000237879650 189892472 /nfs/dbraw/zinc/89/24/72/189892472.db2.gz DFFYEZFYALYIDX-LBPRGKRZSA-N 2 2 258.325 0.730 20 0 CCADLP Cc1cn2ccc(C(=O)NC[C@@](C)(O)C[NH+](C)C)cc2[nH+]1 ZINC000635727524 372822828 /nfs/dbraw/zinc/82/28/28/372822828.db2.gz LMNYIKBSLXIZDH-OAHLLOKOSA-N 2 2 290.367 0.685 20 0 CCADLP O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635710051 372796241 /nfs/dbraw/zinc/79/62/41/372796241.db2.gz ICWCUDSPUNAXGI-JHJVBQTASA-N 2 2 292.383 0.476 20 0 CCADLP O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635710051 372796247 /nfs/dbraw/zinc/79/62/47/372796247.db2.gz ICWCUDSPUNAXGI-JHJVBQTASA-N 2 2 292.383 0.476 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1C[NH+](C)CCO1 ZINC000635712040 372798800 /nfs/dbraw/zinc/79/88/00/372798800.db2.gz LFQFSQYQHFPQQD-AGIUHOORSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1C[NH+](C)CCO1 ZINC000635712040 372798807 /nfs/dbraw/zinc/79/88/07/372798807.db2.gz LFQFSQYQHFPQQD-AGIUHOORSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000635712040 372798814 /nfs/dbraw/zinc/79/88/14/372798814.db2.gz LFQFSQYQHFPQQD-AGIUHOORSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000635712040 372798818 /nfs/dbraw/zinc/79/88/18/372798818.db2.gz LFQFSQYQHFPQQD-AGIUHOORSA-N 2 2 269.389 0.306 20 0 CCADLP CC(C)(CO)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635739492 372839062 /nfs/dbraw/zinc/83/90/62/372839062.db2.gz AZFAYKLLGCFBIB-VXGBXAGGSA-N 2 2 292.383 0.428 20 0 CCADLP CC(C)(CO)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000635739492 372839066 /nfs/dbraw/zinc/83/90/66/372839066.db2.gz AZFAYKLLGCFBIB-VXGBXAGGSA-N 2 2 292.383 0.428 20 0 CCADLP O=C(Nc1ccn2cc[nH+]c2c1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333273473 205172965 /nfs/dbraw/zinc/17/29/65/205172965.db2.gz GJJWQIKBKOQFFV-IAZYJMLFSA-N 2 2 257.297 0.674 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000635818754 372952506 /nfs/dbraw/zinc/95/25/06/372952506.db2.gz LGRVYVHPRMRPJQ-UMSGYPCISA-N 2 2 292.383 0.427 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000635818754 372952515 /nfs/dbraw/zinc/95/25/15/372952515.db2.gz LGRVYVHPRMRPJQ-UMSGYPCISA-N 2 2 292.383 0.427 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000635818754 372952520 /nfs/dbraw/zinc/95/25/20/372952520.db2.gz LGRVYVHPRMRPJQ-UMSGYPCISA-N 2 2 292.383 0.427 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000635818754 372952527 /nfs/dbraw/zinc/95/25/27/372952527.db2.gz LGRVYVHPRMRPJQ-UMSGYPCISA-N 2 2 292.383 0.427 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000635819477 372953558 /nfs/dbraw/zinc/95/35/58/372953558.db2.gz CVSCLBRFIRIBNC-RYUDHWBXSA-N 2 2 262.357 0.798 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000635819477 372953565 /nfs/dbraw/zinc/95/35/65/372953565.db2.gz CVSCLBRFIRIBNC-RYUDHWBXSA-N 2 2 262.357 0.798 20 0 CCADLP C[C@@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CC2)[C@@H](C)C[NH2+]1 ZINC000333468181 205348463 /nfs/dbraw/zinc/34/84/63/205348463.db2.gz AECITWQJAFCVOF-OLZOCXBDSA-N 2 2 296.415 0.243 20 0 CCADLP c1c(C[NH+]2CCSCC2)nnn1[C@@H]1CCC[NH2+]C1 ZINC000656468573 412808238 /nfs/dbraw/zinc/80/82/38/412808238.db2.gz OABVBVVJEHJPGR-GFCCVEGCSA-N 2 2 267.402 0.751 20 0 CCADLP O=C(N[C@H]1Cc2c[nH+]cn2C1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000636578839 373652498 /nfs/dbraw/zinc/65/24/98/373652498.db2.gz PVTGBKUBMCLFIK-FRRDWIJNSA-N 2 2 289.383 0.734 20 0 CCADLP O=C(N[C@H]1Cc2c[nH+]cn2C1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000636578839 373652505 /nfs/dbraw/zinc/65/25/05/373652505.db2.gz PVTGBKUBMCLFIK-FRRDWIJNSA-N 2 2 289.383 0.734 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1 ZINC000636467709 373613099 /nfs/dbraw/zinc/61/30/99/373613099.db2.gz RBPLQIYFMSYSFF-ZDUSSCGKSA-N 2 2 291.399 0.980 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636767740 373747943 /nfs/dbraw/zinc/74/79/43/373747943.db2.gz UQNYNFKWGOVQQP-OLZOCXBDSA-N 2 2 291.399 0.981 20 0 CCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636767740 373747951 /nfs/dbraw/zinc/74/79/51/373747951.db2.gz UQNYNFKWGOVQQP-OLZOCXBDSA-N 2 2 291.399 0.981 20 0 CCADLP CCC[N@H+](CC)CCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636881651 373800008 /nfs/dbraw/zinc/80/00/08/373800008.db2.gz SSVFHFGURAGHPC-LBPRGKRZSA-N 2 2 279.388 0.839 20 0 CCADLP CCC[N@@H+](CC)CCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636881651 373800015 /nfs/dbraw/zinc/80/00/15/373800015.db2.gz SSVFHFGURAGHPC-LBPRGKRZSA-N 2 2 279.388 0.839 20 0 CCADLP [NH3+]CCNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000637098985 373929330 /nfs/dbraw/zinc/92/93/30/373929330.db2.gz XQJQRQQVXDIDAT-UHFFFAOYSA-N 2 2 268.386 0.534 20 0 CCADLP C[NH+]1CCOC[C@H]1CNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000637444365 374166756 /nfs/dbraw/zinc/16/67/56/374166756.db2.gz QWSVDLHVSLULNN-MGPQQGTHSA-N 2 2 296.415 0.053 20 0 CCADLP C[NH+]1CCOC[C@H]1CNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000637444365 374166760 /nfs/dbraw/zinc/16/67/60/374166760.db2.gz QWSVDLHVSLULNN-MGPQQGTHSA-N 2 2 296.415 0.053 20 0 CCADLP C[NH+]1CC[C@@H]2CCN(C(=O)NC[C@@H]3COCC[N@@H+]3C)[C@@H]2C1 ZINC000637444365 374166766 /nfs/dbraw/zinc/16/67/66/374166766.db2.gz QWSVDLHVSLULNN-MGPQQGTHSA-N 2 2 296.415 0.053 20 0 CCADLP C[NH+]1CC[C@@H]2CCN(C(=O)NC[C@@H]3COCC[N@H+]3C)[C@@H]2C1 ZINC000637444365 374166770 /nfs/dbraw/zinc/16/67/70/374166770.db2.gz QWSVDLHVSLULNN-MGPQQGTHSA-N 2 2 296.415 0.053 20 0 CCADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N[C@H]1CC[NH2+]C1 ZINC000637810365 374342604 /nfs/dbraw/zinc/34/26/04/374342604.db2.gz DAZAVJKSMHLFAW-DTWKUNHWSA-N 2 2 276.262 0.855 20 0 CCADLP C[N@@H+]1CCN(C(=O)C2CCC=CCC2)[C@H](C[NH3+])C1 ZINC000637868097 374434764 /nfs/dbraw/zinc/43/47/64/374434764.db2.gz YUXQXFSKSPAQCM-CYBMUJFWSA-N 2 2 251.374 0.834 20 0 CCADLP C[N@H+]1CCN(C(=O)C2CCC=CCC2)[C@H](C[NH3+])C1 ZINC000637868097 374434771 /nfs/dbraw/zinc/43/47/71/374434771.db2.gz YUXQXFSKSPAQCM-CYBMUJFWSA-N 2 2 251.374 0.834 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N(C)CCC[NH3+])CC2 ZINC000637852057 374409201 /nfs/dbraw/zinc/40/92/01/374409201.db2.gz AHUTVZQXOCVRGP-NSHDSACASA-N 2 2 250.346 0.561 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)CC1C[NH+](C)C1 ZINC000656547666 412822312 /nfs/dbraw/zinc/82/23/12/412822312.db2.gz JSPVAPYSJIUKOQ-LLVKDONJSA-N 2 2 265.361 0.475 20 0 CCADLP Cc1nc2cccc(C(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])c2[nH]1 ZINC000637865761 374428532 /nfs/dbraw/zinc/42/85/32/374428532.db2.gz FGVVWVXVZLCUQZ-LLVKDONJSA-N 2 2 287.367 0.586 20 0 CCADLP Cc1nc2cccc(C(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])c2[nH]1 ZINC000637865761 374428533 /nfs/dbraw/zinc/42/85/33/374428533.db2.gz FGVVWVXVZLCUQZ-LLVKDONJSA-N 2 2 287.367 0.586 20 0 CCADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000449213314 284456866 /nfs/dbraw/zinc/45/68/66/284456866.db2.gz VFSRKAKXAQPASA-UTUOFQBUSA-N 2 2 287.354 0.832 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)[C@@]3(C)C[NH2+]CCO3)cn2c1 ZINC000638076978 374632148 /nfs/dbraw/zinc/63/21/48/374632148.db2.gz NUSOFPOAXNYXKQ-OAHLLOKOSA-N 2 2 288.351 0.637 20 0 CCADLP [NH3+]C[C@]1(C(=O)NCCCCn2cc[nH+]c2)CCCOC1 ZINC000638076940 374632841 /nfs/dbraw/zinc/63/28/41/374632841.db2.gz VNYNWGRPYFCAHY-CQSZACIVSA-N 2 2 280.372 0.535 20 0 CCADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000638077447 374632943 /nfs/dbraw/zinc/63/29/43/374632943.db2.gz SRTGQMMQJKEFMI-DYEKYZERSA-N 2 2 280.372 0.402 20 0 CCADLP COC[C@]1(C(=O)N2CC[NH+](C3CC3)CC2)CCCC[NH2+]1 ZINC000638062729 374606666 /nfs/dbraw/zinc/60/66/66/374606666.db2.gz QHRNMRNPWQUCGF-HNNXBMFYSA-N 2 2 281.400 0.452 20 0 CCADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000638119366 374686355 /nfs/dbraw/zinc/68/63/55/374686355.db2.gz PQCGITNQSOLWDX-WFASDCNBSA-N 2 2 288.351 0.718 20 0 CCADLP CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1c[nH+]c(N)nc1N ZINC000638149418 374720106 /nfs/dbraw/zinc/72/01/06/374720106.db2.gz RNHBLDRCAQDZGA-STQMWFEESA-N 2 2 290.415 0.750 20 0 CCADLP CC[C@H]1C[N@H+]2CCCC[C@H]2CN1Cc1c[nH+]c(N)nc1N ZINC000638149418 374720110 /nfs/dbraw/zinc/72/01/10/374720110.db2.gz RNHBLDRCAQDZGA-STQMWFEESA-N 2 2 290.415 0.750 20 0 CCADLP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]([NH3+])CN(C)Cc1ccccc1 ZINC000638235047 374828578 /nfs/dbraw/zinc/82/85/78/374828578.db2.gz MPRCYROTNCILNG-SNPRPXQTSA-N 2 2 290.411 0.394 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[NH2+][C@@H](C)[C@H]2C)[nH+]1 ZINC000638203365 374787058 /nfs/dbraw/zinc/78/70/58/374787058.db2.gz FJPQYIBNFAXPOT-VHSXEESVSA-N 2 2 250.346 0.723 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000638275313 374877676 /nfs/dbraw/zinc/87/76/76/374877676.db2.gz MHEUXBGWYDPISI-UHFFFAOYSA-N 2 2 281.356 0.451 20 0 CCADLP [NH3+]Cc1ncc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cn1 ZINC000638291027 374899274 /nfs/dbraw/zinc/89/92/74/374899274.db2.gz YNSMFUGCCSBSCJ-GFCCVEGCSA-N 2 2 298.350 0.339 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[NH2+]C[C@@](C)(F)C2)[nH+]1 ZINC000638254641 374851546 /nfs/dbraw/zinc/85/15/46/374851546.db2.gz VAXVZYRSKNWHCV-CYBMUJFWSA-N 2 2 268.336 0.675 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H](CC[NH3+])C(F)F)CC2 ZINC000638256842 374852556 /nfs/dbraw/zinc/85/25/56/374852556.db2.gz UKPOCRWGYLEBPZ-NXEZZACHSA-N 2 2 286.326 0.853 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CCCO[C@H](C[NH3+])C2)[nH+]1 ZINC000638341768 374941128 /nfs/dbraw/zinc/94/11/28/374941128.db2.gz BEWPKPBNGFLTGN-LLVKDONJSA-N 2 2 266.345 0.091 20 0 CCADLP CC(C)[C@@H](CNCc1c[nH+]c(N)nc1N)[NH+]1CCCC1 ZINC000638353793 374951319 /nfs/dbraw/zinc/95/13/19/374951319.db2.gz TVCRQZUWKMRXPS-GFCCVEGCSA-N 2 2 278.404 0.512 20 0 CCADLP CCn1ncnc1C[NH2+]CCCC[NH+]1CCN(CC)CC1 ZINC000638361089 374959048 /nfs/dbraw/zinc/95/90/48/374959048.db2.gz MDKFVGGMCKELCX-UHFFFAOYSA-N 2 2 294.447 0.805 20 0 CCADLP [NH3+][C@H]1C[C@@H](C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000574574439 335030990 /nfs/dbraw/zinc/03/09/90/335030990.db2.gz DYGMTWPCYSTZAE-MBNYWOFBSA-N 2 2 299.440 0.048 20 0 CCADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638305556 374909210 /nfs/dbraw/zinc/90/92/10/374909210.db2.gz BIZYZOKLNSFOBU-GXTWGEPZSA-N 2 2 294.399 0.800 20 0 CCADLP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000638412064 375008150 /nfs/dbraw/zinc/00/81/50/375008150.db2.gz NDIOEEBZAVRVCE-OAHLLOKOSA-N 3 2 299.459 0.268 20 0 CCADLP CO[C@@H](C[NH2+]CC(=O)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000638439321 375041659 /nfs/dbraw/zinc/04/16/59/375041659.db2.gz FRXXFFAKALLIGC-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000638425132 375023229 /nfs/dbraw/zinc/02/32/29/375023229.db2.gz KQSYHWQMJKDUCP-GFCCVEGCSA-N 2 2 292.383 0.166 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000638425132 375023237 /nfs/dbraw/zinc/02/32/37/375023237.db2.gz KQSYHWQMJKDUCP-GFCCVEGCSA-N 2 2 292.383 0.166 20 0 CCADLP CCN(CC[NH3+])C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000638517256 375109079 /nfs/dbraw/zinc/10/90/79/375109079.db2.gz PRMCIIOPGCUJPI-UHFFFAOYSA-N 2 2 260.341 0.992 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000638574333 375151240 /nfs/dbraw/zinc/15/12/40/375151240.db2.gz QFXDRXJEKAWDMX-ZNMIVQPWSA-N 2 2 295.427 0.887 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000638574333 375151250 /nfs/dbraw/zinc/15/12/50/375151250.db2.gz QFXDRXJEKAWDMX-ZNMIVQPWSA-N 2 2 295.427 0.887 20 0 CCADLP CC[C@H](C)[C@H](C[NH2+]C[C@@H]1C[N@H+](C)CCN1C)OC ZINC000638596939 375177770 /nfs/dbraw/zinc/17/77/70/375177770.db2.gz UOFPUFHWVICSBS-MJBXVCDLSA-N 2 2 257.422 0.883 20 0 CCADLP CC[C@H](C)[C@H](C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C)OC ZINC000638596939 375177774 /nfs/dbraw/zinc/17/77/74/375177774.db2.gz UOFPUFHWVICSBS-MJBXVCDLSA-N 2 2 257.422 0.883 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000638608808 375190702 /nfs/dbraw/zinc/19/07/02/375190702.db2.gz BXDNQOLCSHFJNS-QWHCGFSZSA-N 2 2 297.786 0.787 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000638608808 375190708 /nfs/dbraw/zinc/19/07/08/375190708.db2.gz BXDNQOLCSHFJNS-QWHCGFSZSA-N 2 2 297.786 0.787 20 0 CCADLP COc1cccc([C@@H]([NH3+])C(=O)NC[C@@H]2COCC[N@@H+]2C)c1 ZINC000638612612 375196020 /nfs/dbraw/zinc/19/60/20/375196020.db2.gz VTOMEXUASAWLQN-TZMCWYRMSA-N 2 2 293.367 0.142 20 0 CCADLP COc1cccc([C@@H]([NH3+])C(=O)NC[C@@H]2COCC[N@H+]2C)c1 ZINC000638612612 375196030 /nfs/dbraw/zinc/19/60/30/375196030.db2.gz VTOMEXUASAWLQN-TZMCWYRMSA-N 2 2 293.367 0.142 20 0 CCADLP [NH3+][C@@H](C(=O)NC[C@@H]1COCC[NH2+]1)c1c(F)cccc1F ZINC000638616098 375205151 /nfs/dbraw/zinc/20/51/51/375205151.db2.gz IKCSWUKADOCWAT-PRHODGIISA-N 2 2 285.294 0.069 20 0 CCADLP C[C@@H](NC(=O)CC[NH2+]C1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000568663262 291614342 /nfs/dbraw/zinc/61/43/42/291614342.db2.gz XLRMINRXAPMIDG-NEPJUHHUSA-N 2 2 269.389 0.354 20 0 CCADLP COC1CC[NH+](CC[NH2+]C[C@@]2(OC)CCOC2)CC1 ZINC000638897735 375435623 /nfs/dbraw/zinc/43/56/23/375435623.db2.gz LDLLFDKWZVPBSW-AWEZNQCLSA-N 2 2 272.389 0.492 20 0 CCADLP O=C(c1cc(-n2cc[nH+]c2)ccc1O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638917070 375454023 /nfs/dbraw/zinc/45/40/23/375454023.db2.gz AAUCGPYDRJPMNU-JQWIXIFHSA-N 2 2 284.319 0.764 20 0 CCADLP CC(C)[C@@H]1C[N@H+](C)CCN1Cc1c[nH+]c(N)nc1N ZINC000638951361 375482457 /nfs/dbraw/zinc/48/24/57/375482457.db2.gz WLXUMRCCKZCCDT-NSHDSACASA-N 2 2 264.377 0.074 20 0 CCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1Cc1c[nH+]c(N)nc1N ZINC000638951361 375482459 /nfs/dbraw/zinc/48/24/59/375482459.db2.gz WLXUMRCCKZCCDT-NSHDSACASA-N 2 2 264.377 0.074 20 0 CCADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@@H]1CCC[NH2+]1 ZINC000638987156 375500289 /nfs/dbraw/zinc/50/02/89/375500289.db2.gz MOEBCUHGZUNRME-LBPRGKRZSA-N 3 2 275.356 0.182 20 0 CCADLP Cn1nc2c(c1NC(=O)[C@H]([NH3+])CC[NH+](C)C)CCCC2 ZINC000638990744 375503068 /nfs/dbraw/zinc/50/30/68/375503068.db2.gz QPHGHFDPHSKNOY-LLVKDONJSA-N 2 2 279.388 0.516 20 0 CCADLP COc1cccc(C[C@@H]([NH3+])C(=O)N(C)Cc2[nH]cc[nH+]2)c1 ZINC000639016592 375518944 /nfs/dbraw/zinc/51/89/44/375518944.db2.gz KZDXMSBHQFLLJG-CYBMUJFWSA-N 2 2 288.351 0.947 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000639065626 375556663 /nfs/dbraw/zinc/55/66/63/375556663.db2.gz QWLGMGLHNMVMFZ-OCCSQVGLSA-N 3 2 290.411 0.745 20 0 CCADLP OCCC[N@@H+]1CCC[C@H]([NH2+]CCC[C@@H]2CCO2)C1 ZINC000639220486 375644528 /nfs/dbraw/zinc/64/45/28/375644528.db2.gz ZERJLDOZYDUWNQ-UONOGXRCSA-N 2 2 256.390 0.992 20 0 CCADLP OCCC[N@H+]1CCC[C@H]([NH2+]CCC[C@@H]2CCO2)C1 ZINC000639220486 375644531 /nfs/dbraw/zinc/64/45/31/375644531.db2.gz ZERJLDOZYDUWNQ-UONOGXRCSA-N 2 2 256.390 0.992 20 0 CCADLP COCCOC[C@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000639506221 375813358 /nfs/dbraw/zinc/81/33/58/375813358.db2.gz PWLCMYXWXMDDKD-ZDUSSCGKSA-N 2 2 267.373 0.948 20 0 CCADLP COCCOC[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000639506221 375813364 /nfs/dbraw/zinc/81/33/64/375813364.db2.gz PWLCMYXWXMDDKD-ZDUSSCGKSA-N 2 2 267.373 0.948 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC000656702702 412843137 /nfs/dbraw/zinc/84/31/37/412843137.db2.gz RMSGACDAGKQTCP-CHWSQXEVSA-N 2 2 266.389 0.706 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC000656702702 412843140 /nfs/dbraw/zinc/84/31/40/412843140.db2.gz RMSGACDAGKQTCP-CHWSQXEVSA-N 2 2 266.389 0.706 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@@H]1CNC[C@@H](O)C[NH+]1CCOCC1 ZINC000656701843 412843835 /nfs/dbraw/zinc/84/38/35/412843835.db2.gz DLKXAGZJZAFHQH-ZIAGYGMSSA-N 2 2 285.432 0.142 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@@H]1CNC[C@@H](O)C[NH+]1CCOCC1 ZINC000656701843 412843837 /nfs/dbraw/zinc/84/38/37/412843837.db2.gz DLKXAGZJZAFHQH-ZIAGYGMSSA-N 2 2 285.432 0.142 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCC(Cn2cncn2)CC1 ZINC000639598105 375851203 /nfs/dbraw/zinc/85/12/03/375851203.db2.gz JATNWSWIECUWAO-UHFFFAOYSA-N 2 2 274.372 0.966 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000639642861 375883275 /nfs/dbraw/zinc/88/32/75/375883275.db2.gz WJOJNBKRYACIJD-KBPBESRZSA-N 2 2 265.357 0.842 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000639642861 375883282 /nfs/dbraw/zinc/88/32/82/375883282.db2.gz WJOJNBKRYACIJD-KBPBESRZSA-N 2 2 265.357 0.842 20 0 CCADLP Cn1ncc(C2CC2)c1C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000656710529 412845532 /nfs/dbraw/zinc/84/55/32/412845532.db2.gz JJYYXOCEUATBFC-CYBMUJFWSA-N 2 2 278.400 0.842 20 0 CCADLP Cn1ncc(C2CC2)c1C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000656710529 412845533 /nfs/dbraw/zinc/84/55/33/412845533.db2.gz JJYYXOCEUATBFC-CYBMUJFWSA-N 2 2 278.400 0.842 20 0 CCADLP [NH3+][C@@H](C(=O)NCc1cn2ccccc2[nH+]1)C1CCOCC1 ZINC000261640772 190042102 /nfs/dbraw/zinc/04/21/02/190042102.db2.gz DLKQOXZQTTYIBU-CQSZACIVSA-N 2 2 288.351 0.704 20 0 CCADLP C[C@@H]([NH3+])C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000261664800 190042487 /nfs/dbraw/zinc/04/24/87/190042487.db2.gz AFSYECJHGSTIGL-LLVKDONJSA-N 2 2 258.325 0.895 20 0 CCADLP c1nc2n(n1)[C@@H](C[NH+]1CCC([NH+]3CCOCC3)CC1)CC2 ZINC000639830498 376039780 /nfs/dbraw/zinc/03/97/80/376039780.db2.gz LKKJJXJDOAHVPV-CQSZACIVSA-N 2 2 291.399 0.562 20 0 CCADLP O=C(C[C@@H]1COCC[NH2+]1)NCCc1cn2ccccc2[nH+]1 ZINC000262317665 190052955 /nfs/dbraw/zinc/05/29/55/190052955.db2.gz DSGASNPYZKATDD-CYBMUJFWSA-N 2 2 288.351 0.372 20 0 CCADLP Cn1cc[nH+]c1-c1cccc(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)c1 ZINC000262559654 190057601 /nfs/dbraw/zinc/05/76/01/190057601.db2.gz VYJUCUOESVVXGU-CHWSQXEVSA-N 2 2 286.335 0.748 20 0 CCADLP C[C@H](CNC(=O)C[NH2+]CC1CC1)Cn1cc[nH+]c1 ZINC000262624044 190058860 /nfs/dbraw/zinc/05/88/60/190058860.db2.gz FQTCMUSHKULVSS-LLVKDONJSA-N 2 2 250.346 0.635 20 0 CCADLP O=C(N[C@H](CO)C[NH+]1CCCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000640320029 376308507 /nfs/dbraw/zinc/30/85/07/376308507.db2.gz JJRDSWGMQGBMHR-OLZOCXBDSA-N 2 2 292.383 0.018 20 0 CCADLP C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]([NH+]3CCOCC3)C2(C)C)CC1 ZINC000640509817 376408557 /nfs/dbraw/zinc/40/85/57/376408557.db2.gz BWKCPGQOLODGAY-OLZOCXBDSA-N 2 2 295.427 0.696 20 0 CCADLP C[N@H+](CCCC[NH+]1CCCCC1)Cc1nc(N)nc(N)n1 ZINC000640530353 376413632 /nfs/dbraw/zinc/41/36/32/376413632.db2.gz CVHQXONVHJDCJR-UHFFFAOYSA-N 2 2 293.419 0.395 20 0 CCADLP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1nc(N)nc(N)n1 ZINC000640530353 376413638 /nfs/dbraw/zinc/41/36/38/376413638.db2.gz CVHQXONVHJDCJR-UHFFFAOYSA-N 2 2 293.419 0.395 20 0 CCADLP CCN(CC)c1ccc(CNC(=O)C[C@@H](C[NH3+])OC)c[nH+]1 ZINC000262852616 190063967 /nfs/dbraw/zinc/06/39/67/190063967.db2.gz KFTCFZYECITZMI-ZDUSSCGKSA-N 2 2 294.399 0.908 20 0 CCADLP c1cn(CCCn2cc(CCN3CC[NH2+]CC3)nn2)c[nH+]1 ZINC000641055277 376724376 /nfs/dbraw/zinc/72/43/76/376724376.db2.gz NYPPHXVNMWFLNP-UHFFFAOYSA-N 2 2 289.387 0.013 20 0 CCADLP COC[C@@H]([NH3+])Cc1cn(Cc2cc(OC)cc[nH+]2)nn1 ZINC000641031250 376690175 /nfs/dbraw/zinc/69/01/75/376690175.db2.gz ZVWAZPSIKYNYEL-JTQLQIEISA-N 2 2 277.328 0.246 20 0 CCADLP CC[N@@H+]1CC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC000264506714 190114557 /nfs/dbraw/zinc/11/45/57/190114557.db2.gz GWCYVNFLDYKKNV-LBPRGKRZSA-N 2 2 250.346 0.731 20 0 CCADLP CC[N@H+]1CC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC000264506714 190114558 /nfs/dbraw/zinc/11/45/58/190114558.db2.gz GWCYVNFLDYKKNV-LBPRGKRZSA-N 2 2 250.346 0.731 20 0 CCADLP c1cn(CCn2cc(C[C@@H]3CCC[NH2+]C3)nn2)c[nH+]1 ZINC000641123760 376798132 /nfs/dbraw/zinc/79/81/32/376798132.db2.gz PUSNUUWGNLXLOU-LBPRGKRZSA-N 2 2 260.345 0.717 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)CC2 ZINC000641227303 376922871 /nfs/dbraw/zinc/92/28/71/376922871.db2.gz QYEXQDWPUVQSDO-NEPJUHHUSA-N 2 2 277.372 0.987 20 0 CCADLP O=S(=O)(CCn1cc[nH+]c1)NCCC[NH+]1CCCC1 ZINC000641261713 376950583 /nfs/dbraw/zinc/95/05/83/376950583.db2.gz NVAQMWDUVQOWPU-UHFFFAOYSA-N 2 2 286.401 0.288 20 0 CCADLP O=S(=O)(CCn1cc[nH+]c1)N1CCOc2cc[nH+]cc21 ZINC000641369852 377043853 /nfs/dbraw/zinc/04/38/53/377043853.db2.gz BEDYELHEXQEFAR-UHFFFAOYSA-N 2 2 294.336 0.507 20 0 CCADLP C[N@@H+]1CCC[C@@H](CNS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641322950 376995415 /nfs/dbraw/zinc/99/54/15/376995415.db2.gz HOSWCXXEEGZAPJ-LBPRGKRZSA-N 2 2 286.401 0.144 20 0 CCADLP C[N@H+]1CCC[C@@H](CNS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641322950 376995419 /nfs/dbraw/zinc/99/54/19/376995419.db2.gz HOSWCXXEEGZAPJ-LBPRGKRZSA-N 2 2 286.401 0.144 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1ccnn1C ZINC000641772789 377456209 /nfs/dbraw/zinc/45/62/09/377456209.db2.gz SLCMYFOLPNWNKM-GFCCVEGCSA-N 2 2 254.378 0.603 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000641798492 377469004 /nfs/dbraw/zinc/46/90/04/377469004.db2.gz JGXGZALEEYOOAB-CQSZACIVSA-N 3 2 293.415 0.282 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000641798492 377469008 /nfs/dbraw/zinc/46/90/08/377469008.db2.gz JGXGZALEEYOOAB-CQSZACIVSA-N 3 2 293.415 0.282 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000641802500 377472922 /nfs/dbraw/zinc/47/29/22/377472922.db2.gz LXZDBTWJTHLMGM-AVGNSLFASA-N 3 2 282.432 0.254 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1nnnn1Cc1ccccc1 ZINC000641805779 377477860 /nfs/dbraw/zinc/47/78/60/377477860.db2.gz OMUNWIPJUORZNA-CHWSQXEVSA-N 2 2 286.383 0.937 20 0 CCADLP C[C@@H]1CC[C@@H](CN)[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H]1C ZINC000641809831 377482449 /nfs/dbraw/zinc/48/24/49/377482449.db2.gz SJMVOMHAQYQCBK-KFWWJZLASA-N 2 2 296.459 0.598 20 0 CCADLP C[C@@H]1CC[C@@H](CN)[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H]1C ZINC000641809831 377482457 /nfs/dbraw/zinc/48/24/57/377482457.db2.gz SJMVOMHAQYQCBK-KFWWJZLASA-N 2 2 296.459 0.598 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH3+])N(CCC(=O)N2CC[NH+](C)CC2)[C@@H]1C ZINC000641809831 377482462 /nfs/dbraw/zinc/48/24/62/377482462.db2.gz SJMVOMHAQYQCBK-KFWWJZLASA-N 2 2 296.459 0.598 20 0 CCADLP CN(C)c1ncc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000427132862 249017213 /nfs/dbraw/zinc/01/72/13/249017213.db2.gz HYUDIVUDCPLUOA-CHWSQXEVSA-N 2 2 261.373 0.726 20 0 CCADLP CN(C)c1ncc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000427132862 249017215 /nfs/dbraw/zinc/01/72/15/249017215.db2.gz HYUDIVUDCPLUOA-CHWSQXEVSA-N 2 2 261.373 0.726 20 0 CCADLP COC[C@@](C)([NH3+])CNc1ncnc2c1C[N@H+](C)CC2 ZINC000265090126 190157092 /nfs/dbraw/zinc/15/70/92/190157092.db2.gz AYDRPQHBURWVKH-ZDUSSCGKSA-N 2 2 265.361 0.240 20 0 CCADLP COC[C@@](C)([NH3+])CNc1ncnc2c1C[N@@H+](C)CC2 ZINC000265090126 190157093 /nfs/dbraw/zinc/15/70/93/190157093.db2.gz AYDRPQHBURWVKH-ZDUSSCGKSA-N 2 2 265.361 0.240 20 0 CCADLP CC[NH+](CC)CC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000265150476 190161238 /nfs/dbraw/zinc/16/12/38/190161238.db2.gz YNPGWTSAVPEAJG-UHFFFAOYSA-N 2 2 267.377 0.444 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000459796902 249062668 /nfs/dbraw/zinc/06/26/68/249062668.db2.gz ZDFJXIJCYPFPAX-FRRDWIJNSA-N 2 2 251.374 0.539 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000515118679 249120527 /nfs/dbraw/zinc/12/05/27/249120527.db2.gz BRACINOLLSBAFL-AWEZNQCLSA-N 2 2 283.416 0.386 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000515118679 249120529 /nfs/dbraw/zinc/12/05/29/249120529.db2.gz BRACINOLLSBAFL-AWEZNQCLSA-N 2 2 283.416 0.386 20 0 CCADLP COCC[NH2+]CCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000514661079 249097283 /nfs/dbraw/zinc/09/72/83/249097283.db2.gz NBAZIWGXIZCEDR-UHFFFAOYSA-N 2 2 277.328 0.692 20 0 CCADLP C[NH2+][C@@H](C)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000514798527 249105382 /nfs/dbraw/zinc/10/53/82/249105382.db2.gz MGLRDZRJAGTBLL-QWHCGFSZSA-N 2 2 276.384 0.895 20 0 CCADLP C[C@H](O)CNc1cc(N2C[C@H]3CCC[C@@H](C2)[NH2+]3)nc[nH+]1 ZINC000515406216 249132897 /nfs/dbraw/zinc/13/28/97/249132897.db2.gz DAFXQKDMYSDXTJ-SDDRHHMPSA-N 2 2 277.372 0.600 20 0 CCADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCCc1cn(C)c[nH+]1 ZINC000515644615 249140367 /nfs/dbraw/zinc/14/03/67/249140367.db2.gz DYUDHSZEBIKBDM-NXEZZACHSA-N 2 2 253.350 0.388 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)NCCc1cn(C)c[nH+]1 ZINC000515644618 249140549 /nfs/dbraw/zinc/14/05/49/249140549.db2.gz DYUDHSZEBIKBDM-VHSXEESVSA-N 2 2 253.350 0.388 20 0 CCADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000517932363 249234811 /nfs/dbraw/zinc/23/48/11/249234811.db2.gz LDQUUQFHNKEAPO-QWHCGFSZSA-N 2 2 297.399 0.130 20 0 CCADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000517932363 249234814 /nfs/dbraw/zinc/23/48/14/249234814.db2.gz LDQUUQFHNKEAPO-QWHCGFSZSA-N 2 2 297.399 0.130 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCn2c[nH+]cc2C1 ZINC000642519283 377578810 /nfs/dbraw/zinc/57/88/10/377578810.db2.gz DHNBMBZXIBIKAC-CYBMUJFWSA-N 2 2 289.383 0.893 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCn2c[nH+]cc2C1 ZINC000642519283 377578818 /nfs/dbraw/zinc/57/88/18/377578818.db2.gz DHNBMBZXIBIKAC-CYBMUJFWSA-N 2 2 289.383 0.893 20 0 CCADLP C[C@H](C(=O)NC[C@H](C)N1CC[NH+](C)CC1)[NH+]1CC(C)C1 ZINC000517245566 249212847 /nfs/dbraw/zinc/21/28/47/249212847.db2.gz UPUFMQFNJGSUHU-UONOGXRCSA-N 2 2 282.432 0.079 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]CCC(=O)Nc1ccccc1 ZINC000517371927 249216227 /nfs/dbraw/zinc/21/62/27/249216227.db2.gz LQZYFXQACPZDMP-UHFFFAOYSA-N 2 2 279.384 0.919 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]CCC(=O)Nc1ccccc1 ZINC000517371927 249216230 /nfs/dbraw/zinc/21/62/30/249216230.db2.gz LQZYFXQACPZDMP-UHFFFAOYSA-N 2 2 279.384 0.919 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](CO)COC(C)C ZINC000517387336 249217422 /nfs/dbraw/zinc/21/74/22/249217422.db2.gz DGEULUFCLGBYKV-CHWSQXEVSA-N 2 2 262.394 0.017 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](CO)COC(C)C ZINC000517387336 249217424 /nfs/dbraw/zinc/21/74/24/249217424.db2.gz DGEULUFCLGBYKV-CHWSQXEVSA-N 2 2 262.394 0.017 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](CO)COC(C)C ZINC000517387336 249217426 /nfs/dbraw/zinc/21/74/26/249217426.db2.gz DGEULUFCLGBYKV-CHWSQXEVSA-N 2 2 262.394 0.017 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](CO)COC(C)C ZINC000517387336 249217428 /nfs/dbraw/zinc/21/74/28/249217428.db2.gz DGEULUFCLGBYKV-CHWSQXEVSA-N 2 2 262.394 0.017 20 0 CCADLP [NH3+]CCOCC[N@@H+]1CCC[C@H]1C(=O)Nc1nccs1 ZINC000357093108 295234949 /nfs/dbraw/zinc/23/49/49/295234949.db2.gz VZYMQJMBLHGWHD-JTQLQIEISA-N 2 2 284.385 0.521 20 0 CCADLP [NH3+]CCOCC[N@H+]1CCC[C@H]1C(=O)Nc1nccs1 ZINC000357093108 295234951 /nfs/dbraw/zinc/23/49/51/295234951.db2.gz VZYMQJMBLHGWHD-JTQLQIEISA-N 2 2 284.385 0.521 20 0 CCADLP Cc1nc(NC[C@@H]2CCCC[NH2+]2)nc(N(C)C)[nH+]1 ZINC000642996218 377683108 /nfs/dbraw/zinc/68/31/08/377683108.db2.gz NOZARVPMZWQDIV-JTQLQIEISA-N 2 2 250.350 0.222 20 0 CCADLP [NH3+]C[C@@H]1CCCCN1c1cc(N2CCOCC2)[nH+]cn1 ZINC000642996577 377684929 /nfs/dbraw/zinc/68/49/29/377684929.db2.gz HYOUUFULEVHKOF-LBPRGKRZSA-N 2 2 277.372 0.631 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC000643077223 377713113 /nfs/dbraw/zinc/71/31/13/377713113.db2.gz GDOBAWMIWBQJQA-GYSYKLTISA-N 2 2 253.390 0.879 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000574683865 335039325 /nfs/dbraw/zinc/03/93/25/335039325.db2.gz CNQUCIRVSODHLV-SCZZXKLOSA-N 2 2 256.375 0.633 20 0 CCADLP CCCCS(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000657090826 412885270 /nfs/dbraw/zinc/88/52/70/412885270.db2.gz HYRSVKLQQRDPFC-UHFFFAOYSA-N 2 2 279.450 0.589 20 0 CCADLP CCCCS(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000657090826 412885273 /nfs/dbraw/zinc/88/52/73/412885273.db2.gz HYRSVKLQQRDPFC-UHFFFAOYSA-N 2 2 279.450 0.589 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H](CO)c1ccc(F)cc1)C1CC1 ZINC000289460138 197358668 /nfs/dbraw/zinc/35/86/68/197358668.db2.gz GEPFAJWHIXZBAL-GJZGRUSLSA-N 2 2 282.359 0.904 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](CO)c1ccc(F)cc1)C1CC1 ZINC000289460138 197358670 /nfs/dbraw/zinc/35/86/70/197358670.db2.gz GEPFAJWHIXZBAL-GJZGRUSLSA-N 2 2 282.359 0.904 20 0 CCADLP CNC(=O)C[NH+]1CCC(Nc2cc[nH+]c(C)n2)CC1 ZINC000266464479 190259588 /nfs/dbraw/zinc/25/95/88/190259588.db2.gz ZFBPHXKPUGXLJD-UHFFFAOYSA-N 2 2 263.345 0.407 20 0 CCADLP CC(C)CNC(=O)[C@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266919910 190290739 /nfs/dbraw/zinc/29/07/39/190290739.db2.gz LNMRCICLGZVCMP-ZDUSSCGKSA-N 2 2 293.415 0.703 20 0 CCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2[nH+]ccn2C)C1 ZINC000267279179 190317612 /nfs/dbraw/zinc/31/76/12/190317612.db2.gz HJAJYSHVFWYZCM-GFCCVEGCSA-N 2 2 279.388 0.903 20 0 CCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2[nH+]ccn2C)C1 ZINC000267279179 190317613 /nfs/dbraw/zinc/31/76/13/190317613.db2.gz HJAJYSHVFWYZCM-GFCCVEGCSA-N 2 2 279.388 0.903 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000570634768 291770670 /nfs/dbraw/zinc/77/06/70/291770670.db2.gz HQWHSOPAIAVSQP-WDEREUQCSA-N 2 2 250.346 0.512 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)N[C@@H]3CC[NH2+]C3)cn2c1 ZINC000334894911 207257579 /nfs/dbraw/zinc/25/75/79/207257579.db2.gz REHLJTUFFFRPCL-LLVKDONJSA-N 2 2 273.340 0.804 20 0 CCADLP C[C@H](C[NH2+]Cc1cn(C2CCC2)nn1)N1CC[NH+](C)CC1 ZINC000657348790 412964378 /nfs/dbraw/zinc/96/43/78/412964378.db2.gz HWCMXRLRZVLHMI-CYBMUJFWSA-N 2 2 292.431 0.729 20 0 CCADLP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1nnnn1CC1CC1 ZINC000571394949 291810668 /nfs/dbraw/zinc/81/06/68/291810668.db2.gz GNZVWUHBNJTBEI-MNOVXSKESA-N 2 2 250.350 0.300 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493514032 532973903 /nfs/dbraw/zinc/97/39/03/532973903.db2.gz DCAAPWCBRVHGSD-KXMPLOMGSA-N 2 2 264.329 0.260 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)/C=C/c2[nH]cc[nH+]2)C1 ZINC000493514032 532973909 /nfs/dbraw/zinc/97/39/09/532973909.db2.gz DCAAPWCBRVHGSD-KXMPLOMGSA-N 2 2 264.329 0.260 20 0 CCADLP CC[NH+](CC)[C@H]1CCN(C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000247700246 285058830 /nfs/dbraw/zinc/05/88/30/285058830.db2.gz XRTQCMRDSFSLSY-GJZGRUSLSA-N 2 2 285.432 0.096 20 0 CCADLP CC(C)N1CC[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1=O ZINC000657361365 412974850 /nfs/dbraw/zinc/97/48/50/412974850.db2.gz BBJGAVVZSPPZKV-GFCCVEGCSA-N 2 2 262.357 0.928 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000572026819 291853431 /nfs/dbraw/zinc/85/34/31/291853431.db2.gz CVXIKQVOGRDSMM-MRTXSQPYSA-N 2 2 281.400 0.352 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(CCn2cc[nH+]c2)[C@@H](C)C1 ZINC000249291374 285109265 /nfs/dbraw/zinc/10/92/65/285109265.db2.gz PSWWJJUBCICVLR-STQMWFEESA-N 2 2 252.362 0.270 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(CCn2cc[nH+]c2)[C@@H](C)C1 ZINC000249291374 285109267 /nfs/dbraw/zinc/10/92/67/285109267.db2.gz PSWWJJUBCICVLR-STQMWFEESA-N 2 2 252.362 0.270 20 0 CCADLP Cc1cn[nH]c1C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000289429434 197342944 /nfs/dbraw/zinc/34/29/44/197342944.db2.gz DOTVCQVLFHYJLJ-GFCCVEGCSA-N 2 2 265.361 0.148 20 0 CCADLP Cc1cn[nH]c1C[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000289429434 197342946 /nfs/dbraw/zinc/34/29/46/197342946.db2.gz DOTVCQVLFHYJLJ-GFCCVEGCSA-N 2 2 265.361 0.148 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000418214564 533076902 /nfs/dbraw/zinc/07/69/02/533076902.db2.gz LXTAVLWYMATCHI-CQSZACIVSA-N 2 2 296.346 0.933 20 0 CCADLP Cc1[nH+]ccn1CCCCN1CC[N@H+](CCO)[C@@H](C)C1 ZINC000249582218 285129051 /nfs/dbraw/zinc/12/90/51/285129051.db2.gz RNXONBMEIMOMMT-AWEZNQCLSA-N 2 2 280.416 0.970 20 0 CCADLP Cc1[nH+]ccn1CCCCN1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000249582218 285129053 /nfs/dbraw/zinc/12/90/53/285129053.db2.gz RNXONBMEIMOMMT-AWEZNQCLSA-N 2 2 280.416 0.970 20 0 CCADLP COCC[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000347336182 285130441 /nfs/dbraw/zinc/13/04/41/285130441.db2.gz ACYGHFXDJXSFBB-VXGBXAGGSA-N 2 2 257.378 0.341 20 0 CCADLP COCC[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000347336182 285130442 /nfs/dbraw/zinc/13/04/42/285130442.db2.gz ACYGHFXDJXSFBB-VXGBXAGGSA-N 2 2 257.378 0.341 20 0 CCADLP CCOCCOC[C@H](O)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657446802 412993781 /nfs/dbraw/zinc/99/37/81/412993781.db2.gz MAEOJWZHDCBEAX-CYBMUJFWSA-N 2 2 283.372 0.333 20 0 CCADLP C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657454767 412995746 /nfs/dbraw/zinc/99/57/46/412995746.db2.gz LVAVFHHEGNVMTR-GXFFZTMASA-N 2 2 251.330 0.459 20 0 CCADLP COCC[N@H+](C)CCCNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000298346731 285164784 /nfs/dbraw/zinc/16/47/84/285164784.db2.gz SOAFNZIJCQXQOL-LBPRGKRZSA-N 2 2 297.403 0.650 20 0 CCADLP COCC[N@@H+](C)CCCNc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000298346731 285164789 /nfs/dbraw/zinc/16/47/89/285164789.db2.gz SOAFNZIJCQXQOL-LBPRGKRZSA-N 2 2 297.403 0.650 20 0 CCADLP COCC[N@H+](C)CCCNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000298346731 285164792 /nfs/dbraw/zinc/16/47/92/285164792.db2.gz SOAFNZIJCQXQOL-LBPRGKRZSA-N 2 2 297.403 0.650 20 0 CCADLP COCC[N@@H+](C)CCCNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000298346731 285164797 /nfs/dbraw/zinc/16/47/97/285164797.db2.gz SOAFNZIJCQXQOL-LBPRGKRZSA-N 2 2 297.403 0.650 20 0 CCADLP Cc1[nH]c(CNC[C@@H]2CCCC[N@@H+]2CCO)[nH+]c1C ZINC000657480862 413004303 /nfs/dbraw/zinc/00/43/03/413004303.db2.gz YWZITFFNAONFME-ZDUSSCGKSA-N 2 2 266.389 0.963 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Cn1cc[nH+]c1 ZINC000288477684 197088563 /nfs/dbraw/zinc/08/85/63/197088563.db2.gz QTWBCIKFFMNOPK-OLZOCXBDSA-N 2 2 262.357 0.968 20 0 CCADLP COC[C@H](CC[NH2+]Cc1c[nH+]c(N(C)C)n1C)OC ZINC000657553280 413023430 /nfs/dbraw/zinc/02/34/30/413023430.db2.gz JERFYTCVLRLQNI-LBPRGKRZSA-N 2 2 270.377 0.627 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NCc1ccc(C[NH3+])cc1 ZINC000574874107 335054078 /nfs/dbraw/zinc/05/40/78/335054078.db2.gz GTBDAOYPRCAULR-UHFFFAOYSA-N 2 2 273.340 0.878 20 0 CCADLP C[C@@H](C[NH3+])C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000286015770 388825546 /nfs/dbraw/zinc/82/55/46/388825546.db2.gz JMYPNBRVPXQODU-ZDUSSCGKSA-N 2 2 290.411 0.967 20 0 CCADLP C[C@H](C[NH3+])C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000286015768 388826094 /nfs/dbraw/zinc/82/60/94/388826094.db2.gz JMYPNBRVPXQODU-CYBMUJFWSA-N 2 2 290.411 0.967 20 0 CCADLP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC[N@@H+]1CCO ZINC000187253350 388872606 /nfs/dbraw/zinc/87/26/06/388872606.db2.gz CILBRTPIGPKHKA-GFCCVEGCSA-N 2 2 292.383 0.286 20 0 CCADLP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC[N@H+]1CCO ZINC000187253350 388872608 /nfs/dbraw/zinc/87/26/08/388872608.db2.gz CILBRTPIGPKHKA-GFCCVEGCSA-N 2 2 292.383 0.286 20 0 CCADLP C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC[N@@H+]1CCO ZINC000187253367 388872651 /nfs/dbraw/zinc/87/26/51/388872651.db2.gz CILBRTPIGPKHKA-LBPRGKRZSA-N 2 2 292.383 0.286 20 0 CCADLP C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC[N@H+]1CCO ZINC000187253367 388872652 /nfs/dbraw/zinc/87/26/52/388872652.db2.gz CILBRTPIGPKHKA-LBPRGKRZSA-N 2 2 292.383 0.286 20 0 CCADLP COc1ccc(F)cc1CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000575057881 335060252 /nfs/dbraw/zinc/06/02/52/335060252.db2.gz SWHQIPSAKNVDNR-ZDUSSCGKSA-N 2 2 295.358 0.478 20 0 CCADLP COc1ccc(F)cc1CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000575057881 335060254 /nfs/dbraw/zinc/06/02/54/335060254.db2.gz SWHQIPSAKNVDNR-ZDUSSCGKSA-N 2 2 295.358 0.478 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCN(c2cnccn2)CC1 ZINC000289954318 388898558 /nfs/dbraw/zinc/89/85/58/388898558.db2.gz IDAOJDKAHBGXMT-UHFFFAOYSA-N 2 2 272.356 0.575 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000290680131 388910554 /nfs/dbraw/zinc/91/05/54/388910554.db2.gz HYFUUMSQRAZQNG-LLVKDONJSA-N 2 2 277.372 0.704 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000290680131 388910555 /nfs/dbraw/zinc/91/05/55/388910555.db2.gz HYFUUMSQRAZQNG-LLVKDONJSA-N 2 2 277.372 0.704 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000290845663 388913436 /nfs/dbraw/zinc/91/34/36/388913436.db2.gz ZMOXDQQSAAQENN-ZDUSSCGKSA-N 2 2 297.428 0.657 20 0 CCADLP Cc1ccc(NCCCNC(=O)[C@H]2C[NH2+]CCO2)[nH+]c1 ZINC000188212893 388918799 /nfs/dbraw/zinc/91/87/99/388918799.db2.gz KRROGFKLBAJLKK-GFCCVEGCSA-N 2 2 278.356 0.297 20 0 CCADLP COC(=O)[C@H]1C[C@H](O)C[N@@H+]1CCCCn1cc[nH+]c1C ZINC000188606266 388934141 /nfs/dbraw/zinc/93/41/41/388934141.db2.gz HSNNEQDZYQCRSE-QWHCGFSZSA-N 2 2 281.356 0.580 20 0 CCADLP COC(=O)[C@H]1C[C@H](O)C[N@H+]1CCCCn1cc[nH+]c1C ZINC000188606266 388934144 /nfs/dbraw/zinc/93/41/44/388934144.db2.gz HSNNEQDZYQCRSE-QWHCGFSZSA-N 2 2 281.356 0.580 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cncn1C ZINC000291923636 388942778 /nfs/dbraw/zinc/94/27/78/388942778.db2.gz LYZMTRXHALKGBQ-UHFFFAOYSA-N 2 2 293.415 0.518 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cncn1C ZINC000291923636 388942779 /nfs/dbraw/zinc/94/27/79/388942779.db2.gz LYZMTRXHALKGBQ-UHFFFAOYSA-N 2 2 293.415 0.518 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1c[nH+]cn1C ZINC000292440472 388949431 /nfs/dbraw/zinc/94/94/31/388949431.db2.gz VUBNUBFPAGTGKW-GFCCVEGCSA-N 2 2 295.387 0.282 20 0 CCADLP C[C@H](O)C[NH+]1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000069699085 388951723 /nfs/dbraw/zinc/95/17/23/388951723.db2.gz WUHGKAJGZQEPRW-JTQLQIEISA-N 2 2 261.329 0.461 20 0 CCADLP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)[C@@H]1CCC[NH2+]1 ZINC000075503108 388983784 /nfs/dbraw/zinc/98/37/84/388983784.db2.gz JMGQAMKDPLRUHC-ZDUSSCGKSA-N 2 2 290.367 0.286 20 0 CCADLP C[NH+]1CCN(C(=O)CC[NH2+]Cc2cc(F)ncc2F)CC1 ZINC000295257161 388997494 /nfs/dbraw/zinc/99/74/94/388997494.db2.gz USTFDNXBIIGYQH-UHFFFAOYSA-N 2 2 298.337 0.614 20 0 CCADLP O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@H]1CSC[NH2+]1 ZINC000295278010 388998639 /nfs/dbraw/zinc/99/86/39/388998639.db2.gz WHAPJRNHBRTVLF-GFCCVEGCSA-N 2 2 263.366 0.933 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000084696347 389005343 /nfs/dbraw/zinc/00/53/43/389005343.db2.gz VFFTUVAETLKNSJ-AWEZNQCLSA-N 2 2 285.432 0.803 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000084696347 389005344 /nfs/dbraw/zinc/00/53/44/389005344.db2.gz VFFTUVAETLKNSJ-AWEZNQCLSA-N 2 2 285.432 0.803 20 0 CCADLP C[C@H](CNC(=O)Cc1cn2ccccc2[nH+]1)[NH+](C)C ZINC000298341824 389013347 /nfs/dbraw/zinc/01/33/47/389013347.db2.gz IPGIXUUDQUYCJY-LLVKDONJSA-N 2 2 260.341 0.943 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000336842411 389026136 /nfs/dbraw/zinc/02/61/36/389026136.db2.gz UTKXUFLZECSKMK-QJPTWQEYSA-N 2 2 295.349 0.932 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000336842411 389026138 /nfs/dbraw/zinc/02/61/38/389026138.db2.gz UTKXUFLZECSKMK-QJPTWQEYSA-N 2 2 295.349 0.932 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[NH+](C)[C@H](C)[C@@H]2C)CCO1 ZINC000337292258 389058719 /nfs/dbraw/zinc/05/87/19/389058719.db2.gz FPUACIGSSBRLLG-MCIONIFRSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](C)[C@H](C)[C@@H]2C)CCO1 ZINC000337292258 389058724 /nfs/dbraw/zinc/05/87/24/389058724.db2.gz FPUACIGSSBRLLG-MCIONIFRSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[N@H+](C)[C@H](C)[C@@H]2C)CCO1 ZINC000337292258 389058727 /nfs/dbraw/zinc/05/87/27/389058727.db2.gz FPUACIGSSBRLLG-MCIONIFRSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[N@@H+](C)[C@H](C)[C@@H]2C)CCO1 ZINC000337292258 389058732 /nfs/dbraw/zinc/05/87/32/389058732.db2.gz FPUACIGSSBRLLG-MCIONIFRSA-N 2 2 255.406 0.732 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)NCCCn1cc[nH+]c1 ZINC000192982971 389059059 /nfs/dbraw/zinc/05/90/59/389059059.db2.gz DLEBEMBWVJTHMV-UHFFFAOYSA-N 2 2 276.344 0.859 20 0 CCADLP NC(=O)c1c[nH+]ccc1N1CC[NH+](CC2CC2)CC1 ZINC000302042359 389062222 /nfs/dbraw/zinc/06/22/22/389062222.db2.gz SBTXKHMBWGCFON-UHFFFAOYSA-N 2 2 260.341 0.713 20 0 CCADLP Cc1nc(N2CC[N@H+](CCO)[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC000302416165 389069943 /nfs/dbraw/zinc/06/99/43/389069943.db2.gz MEZJFUUHMRHELP-JTQLQIEISA-N 2 2 264.373 0.905 20 0 CCADLP Cc1nc(N2CC[N@@H+](CCO)[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC000302416165 389069945 /nfs/dbraw/zinc/06/99/45/389069945.db2.gz MEZJFUUHMRHELP-JTQLQIEISA-N 2 2 264.373 0.905 20 0 CCADLP Cn1nnc(C[NH+]2CCC(CCC[NH+](C)C)CC2)n1 ZINC000193473832 389070588 /nfs/dbraw/zinc/07/05/88/389070588.db2.gz BUUNTVVUNLRDNQ-UHFFFAOYSA-N 2 2 266.393 0.764 20 0 CCADLP CCC[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)OCC ZINC000338230782 389094582 /nfs/dbraw/zinc/09/45/82/389094582.db2.gz LMNODONFTAAQKC-UHFFFAOYSA-N 2 2 299.415 0.426 20 0 CCADLP CCC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)OCC ZINC000338230782 389094585 /nfs/dbraw/zinc/09/45/85/389094585.db2.gz LMNODONFTAAQKC-UHFFFAOYSA-N 2 2 299.415 0.426 20 0 CCADLP CCC[C@H]([NH2+]C(C)C)C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000354932961 389034418 /nfs/dbraw/zinc/03/44/18/389034418.db2.gz YFSLSIYLBINYHR-MELADBBJSA-N 2 2 283.416 0.695 20 0 CCADLP CCC[C@H]([NH2+]C(C)C)C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000354932961 389034421 /nfs/dbraw/zinc/03/44/21/389034421.db2.gz YFSLSIYLBINYHR-MELADBBJSA-N 2 2 283.416 0.695 20 0 CCADLP O=C(NCC[NH+]1CCC1)C1CC[NH+](CC(F)F)CC1 ZINC000355124096 389042760 /nfs/dbraw/zinc/04/27/60/389042760.db2.gz QJDQFUMHDLIXEB-UHFFFAOYSA-N 2 2 275.343 0.785 20 0 CCADLP COCC[C@](C)(O)C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000223666703 389144283 /nfs/dbraw/zinc/14/42/83/389144283.db2.gz ZLYGZGGQEPTFHK-DYEKYZERSA-N 2 2 256.390 0.989 20 0 CCADLP COCC[C@](C)(O)C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000223666703 389144286 /nfs/dbraw/zinc/14/42/86/389144286.db2.gz ZLYGZGGQEPTFHK-DYEKYZERSA-N 2 2 256.390 0.989 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000311944496 389106323 /nfs/dbraw/zinc/10/63/23/389106323.db2.gz KDDOPLAGDPFDQF-SNVBAGLBSA-N 2 2 284.322 0.688 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000311944496 389106324 /nfs/dbraw/zinc/10/63/24/389106324.db2.gz KDDOPLAGDPFDQF-SNVBAGLBSA-N 2 2 284.322 0.688 20 0 CCADLP C[C@H]([NH2+]Cc1c[nH+]cn1C)C(=O)N1CCCCC1 ZINC000111403143 389107417 /nfs/dbraw/zinc/10/74/17/389107417.db2.gz ZAOILABFTPVPTF-NSHDSACASA-N 2 2 250.346 0.911 20 0 CCADLP CCC(CC)[C@@H](C(=O)NC[C@@H](C)[NH3+])[NH+]1CCOCC1 ZINC000194901558 389109272 /nfs/dbraw/zinc/10/92/72/389109272.db2.gz PMZAYILFILQKQB-YPMHNXCESA-N 2 2 271.405 0.587 20 0 CCADLP CCCCCNC(=O)[C@@H](C)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313377000 389113809 /nfs/dbraw/zinc/11/38/09/389113809.db2.gz FCDUCSFYDCTMDJ-CHWSQXEVSA-N 2 2 271.405 0.731 20 0 CCADLP CCCCCNC(=O)[C@@H](C)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313377000 389113812 /nfs/dbraw/zinc/11/38/12/389113812.db2.gz FCDUCSFYDCTMDJ-CHWSQXEVSA-N 2 2 271.405 0.731 20 0 CCADLP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313393252 389113969 /nfs/dbraw/zinc/11/39/69/389113969.db2.gz OAGRBZSYQVCTRV-YNEHKIRRSA-N 2 2 271.405 0.729 20 0 CCADLP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313393252 389113972 /nfs/dbraw/zinc/11/39/72/389113972.db2.gz OAGRBZSYQVCTRV-YNEHKIRRSA-N 2 2 271.405 0.729 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000111785466 389114289 /nfs/dbraw/zinc/11/42/89/389114289.db2.gz QTDGBAMVFMJCPQ-CYBMUJFWSA-N 2 2 295.387 0.293 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000111785466 389114290 /nfs/dbraw/zinc/11/42/90/389114290.db2.gz QTDGBAMVFMJCPQ-CYBMUJFWSA-N 2 2 295.387 0.293 20 0 CCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000226402393 389148246 /nfs/dbraw/zinc/14/82/46/389148246.db2.gz HCOWLBDGCHKIPY-TZMCWYRMSA-N 2 2 261.369 0.719 20 0 CCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000226402393 389148248 /nfs/dbraw/zinc/14/82/48/389148248.db2.gz HCOWLBDGCHKIPY-TZMCWYRMSA-N 2 2 261.369 0.719 20 0 CCADLP CC(C)[C@@H](C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)[NH+](C)C ZINC000114858045 389131835 /nfs/dbraw/zinc/13/18/35/389131835.db2.gz MBLLMBIXUFAYJD-KBPBESRZSA-N 2 2 283.416 0.552 20 0 CCADLP CC(C)[C@@H](C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)[NH+](C)C ZINC000114858045 389131838 /nfs/dbraw/zinc/13/18/38/389131838.db2.gz MBLLMBIXUFAYJD-KBPBESRZSA-N 2 2 283.416 0.552 20 0 CCADLP C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@H]1CCS(=O)(=O)C1 ZINC000211941727 389132146 /nfs/dbraw/zinc/13/21/46/389132146.db2.gz PREWCMGRAWQVLH-HNNXBMFYSA-N 2 2 294.420 0.951 20 0 CCADLP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@H]1CCS(=O)(=O)C1 ZINC000211941727 389132149 /nfs/dbraw/zinc/13/21/49/389132149.db2.gz PREWCMGRAWQVLH-HNNXBMFYSA-N 2 2 294.420 0.951 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000357739613 389137551 /nfs/dbraw/zinc/13/75/51/389137551.db2.gz IMKWBIXMSNHXDW-LLVKDONJSA-N 2 2 279.388 0.906 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000357739613 389137553 /nfs/dbraw/zinc/13/75/53/389137553.db2.gz IMKWBIXMSNHXDW-LLVKDONJSA-N 2 2 279.388 0.906 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000357739613 389137556 /nfs/dbraw/zinc/13/75/56/389137556.db2.gz IMKWBIXMSNHXDW-LLVKDONJSA-N 2 2 279.388 0.906 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000357739613 389137557 /nfs/dbraw/zinc/13/75/57/389137557.db2.gz IMKWBIXMSNHXDW-LLVKDONJSA-N 2 2 279.388 0.906 20 0 CCADLP C[C@@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000237458192 389189155 /nfs/dbraw/zinc/18/91/55/389189155.db2.gz LFERIEASSSIEAA-CYBMUJFWSA-N 3 2 282.432 0.400 20 0 CCADLP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)[C@@H]1C[NH2+]CCO1 ZINC000237834635 389195806 /nfs/dbraw/zinc/19/58/06/389195806.db2.gz DZQVQOJHBMNNNE-NSHDSACASA-N 2 2 294.742 0.592 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000360415460 389197743 /nfs/dbraw/zinc/19/77/43/389197743.db2.gz AGXXQBIQCCDWED-RDBSUJKOSA-N 2 2 275.400 0.985 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCCN(c2ncccn2)C1 ZINC000360415460 389197745 /nfs/dbraw/zinc/19/77/45/389197745.db2.gz AGXXQBIQCCDWED-RDBSUJKOSA-N 2 2 275.400 0.985 20 0 CCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000359360221 389172301 /nfs/dbraw/zinc/17/23/01/389172301.db2.gz LQPWSIQKXDWRLF-NSHDSACASA-N 2 2 280.372 0.902 20 0 CCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000359360221 389172305 /nfs/dbraw/zinc/17/23/05/389172305.db2.gz LQPWSIQKXDWRLF-NSHDSACASA-N 2 2 280.372 0.902 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000362862866 389242680 /nfs/dbraw/zinc/24/26/80/389242680.db2.gz LJLRUWIVMNNQLD-ILXRZTDVSA-N 2 2 295.427 0.507 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000362862866 389242682 /nfs/dbraw/zinc/24/26/82/389242682.db2.gz LJLRUWIVMNNQLD-ILXRZTDVSA-N 2 2 295.427 0.507 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000342814134 389253624 /nfs/dbraw/zinc/25/36/24/389253624.db2.gz WALFALQCURKYPJ-XVSYOHENSA-N 2 2 251.374 0.583 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000342814134 389253626 /nfs/dbraw/zinc/25/36/26/389253626.db2.gz WALFALQCURKYPJ-XVSYOHENSA-N 2 2 251.374 0.583 20 0 CCADLP CNC(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CCOC ZINC000361024431 389207036 /nfs/dbraw/zinc/20/70/36/389207036.db2.gz YFBGTPBIDHNYQA-VXGBXAGGSA-N 2 2 257.378 0.211 20 0 CCADLP CNC(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1CCOC ZINC000361024431 389207039 /nfs/dbraw/zinc/20/70/39/389207039.db2.gz YFBGTPBIDHNYQA-VXGBXAGGSA-N 2 2 257.378 0.211 20 0 CCADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)[C@H](C)N1CCOCC1 ZINC000361183645 389209187 /nfs/dbraw/zinc/20/91/87/389209187.db2.gz ZUYBEJWDPKPWQY-RFGFWPKPSA-N 2 2 255.406 0.635 20 0 CCADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)[C@H](C)N1CCOCC1 ZINC000361183645 389209190 /nfs/dbraw/zinc/20/91/90/389209190.db2.gz ZUYBEJWDPKPWQY-RFGFWPKPSA-N 2 2 255.406 0.635 20 0 CCADLP C[N@@H+](CC(=O)NC[C@@H]1CCCO1)C[C@H]1CCC[NH+](C)C1 ZINC000158065102 389335252 /nfs/dbraw/zinc/33/52/52/389335252.db2.gz XSAWBRACZDYRMC-KBPBESRZSA-N 2 2 283.416 0.555 20 0 CCADLP C[N@H+](CC(=O)NC[C@@H]1CCCO1)C[C@H]1CCC[NH+](C)C1 ZINC000158065102 389335254 /nfs/dbraw/zinc/33/52/54/389335254.db2.gz XSAWBRACZDYRMC-KBPBESRZSA-N 2 2 283.416 0.555 20 0 CCADLP C[NH+](CC(=O)NC[C@@H]1CCCO1)C[C@H]1CCC[N@H+](C)C1 ZINC000158065102 389335256 /nfs/dbraw/zinc/33/52/56/389335256.db2.gz XSAWBRACZDYRMC-KBPBESRZSA-N 2 2 283.416 0.555 20 0 CCADLP C[NH+](CC(=O)NC[C@@H]1CCCO1)C[C@H]1CCC[N@@H+](C)C1 ZINC000158065102 389335258 /nfs/dbraw/zinc/33/52/58/389335258.db2.gz XSAWBRACZDYRMC-KBPBESRZSA-N 2 2 283.416 0.555 20 0 CCADLP CCOC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343883334 389275071 /nfs/dbraw/zinc/27/50/71/389275071.db2.gz ARNALPUTBSNCQA-ILXRZTDVSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)N2CCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343927757 389275654 /nfs/dbraw/zinc/27/56/54/389275654.db2.gz SYDBLPCDMSZWGV-CABCVRRESA-N 2 2 294.443 0.177 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343927757 389275655 /nfs/dbraw/zinc/27/56/55/389275655.db2.gz SYDBLPCDMSZWGV-CABCVRRESA-N 2 2 294.443 0.177 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC[C@@H]2C[NH+](C3CC3)CCO2)C1 ZINC000344066909 389277636 /nfs/dbraw/zinc/27/76/36/389277636.db2.gz IDEDDJVPVVUTHG-DZGCQCFKSA-N 2 2 283.416 0.160 20 0 CCADLP COCC[N@H+]1CC[C@H](NC[C@@H]2C[NH+](C3CC3)CCO2)C1 ZINC000344066909 389277637 /nfs/dbraw/zinc/27/76/37/389277637.db2.gz IDEDDJVPVVUTHG-DZGCQCFKSA-N 2 2 283.416 0.160 20 0 CCADLP COCC[NH+]1CC[C@H](NC[C@@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000344066909 389277638 /nfs/dbraw/zinc/27/76/38/389277638.db2.gz IDEDDJVPVVUTHG-DZGCQCFKSA-N 2 2 283.416 0.160 20 0 CCADLP COCC[NH+]1CC[C@H](NC[C@@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000344066909 389277639 /nfs/dbraw/zinc/27/76/39/389277639.db2.gz IDEDDJVPVVUTHG-DZGCQCFKSA-N 2 2 283.416 0.160 20 0 CCADLP COCC[N@H+](C)CCN[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000262031905 389280768 /nfs/dbraw/zinc/28/07/68/389280768.db2.gz XQDOAEQFRZKNDR-RRFJBIMHSA-N 2 2 285.432 0.311 20 0 CCADLP COCC[N@@H+](C)CCN[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000262031905 389280771 /nfs/dbraw/zinc/28/07/71/389280771.db2.gz XQDOAEQFRZKNDR-RRFJBIMHSA-N 2 2 285.432 0.311 20 0 CCADLP C[C@H]1C[N@H+](CCN2CC[C@@]3(CC[NH+](C)C3)C2)CCO1 ZINC000368351285 389376238 /nfs/dbraw/zinc/37/62/38/389376238.db2.gz DFNNPGFVUXJJOH-LSDHHAIUSA-N 2 2 267.417 0.735 20 0 CCADLP C[C@H]1C[N@@H+](CCN2CC[C@@]3(CC[NH+](C)C3)C2)CCO1 ZINC000368351285 389376243 /nfs/dbraw/zinc/37/62/43/389376243.db2.gz DFNNPGFVUXJJOH-LSDHHAIUSA-N 2 2 267.417 0.735 20 0 CCADLP C[C@H]1C[NH+](CCN2CC[C@@]3(CC[N@H+](C)C3)C2)CCO1 ZINC000368351285 389376247 /nfs/dbraw/zinc/37/62/47/389376247.db2.gz DFNNPGFVUXJJOH-LSDHHAIUSA-N 2 2 267.417 0.735 20 0 CCADLP C[C@H]1C[NH+](CCN2CC[C@@]3(CC[N@@H+](C)C3)C2)CCO1 ZINC000368351285 389376250 /nfs/dbraw/zinc/37/62/50/389376250.db2.gz DFNNPGFVUXJJOH-LSDHHAIUSA-N 2 2 267.417 0.735 20 0 CCADLP Cc1cc(CNC(=O)[C@H]2C[N@H+](C)CCO2)cc(C)[nH+]1 ZINC000421922158 389383044 /nfs/dbraw/zinc/38/30/44/389383044.db2.gz QCCWREZIAUGWFY-CYBMUJFWSA-N 2 2 263.341 0.645 20 0 CCADLP Cc1cc(CNC(=O)[C@H]2C[N@@H+](C)CCO2)cc(C)[nH+]1 ZINC000421922158 389383048 /nfs/dbraw/zinc/38/30/48/389383048.db2.gz QCCWREZIAUGWFY-CYBMUJFWSA-N 2 2 263.341 0.645 20 0 CCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C(C)(C)O)CC2)CC1 ZINC000422028546 389391693 /nfs/dbraw/zinc/39/16/93/389391693.db2.gz YCHQZUPXMXWUGR-UHFFFAOYSA-N 2 2 297.443 0.776 20 0 CCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C(C)(C)O)CC2)CC1 ZINC000422028546 389391694 /nfs/dbraw/zinc/39/16/94/389391694.db2.gz YCHQZUPXMXWUGR-UHFFFAOYSA-N 2 2 297.443 0.776 20 0 CCADLP COC(=O)CN1CCC([NH2+][C@@H](C)C[NH+](C)C)CC1 ZINC000349014211 389401237 /nfs/dbraw/zinc/40/12/37/389401237.db2.gz WALXIDAFBVWTIH-NSHDSACASA-N 2 2 257.378 0.164 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C1)c1ccccc1C[NH+]1CCOCC1 ZINC000269135563 389404209 /nfs/dbraw/zinc/40/42/09/389404209.db2.gz RJJKGVKZVXOIGE-AWEZNQCLSA-N 2 2 289.379 0.611 20 0 CCADLP CN(C)c1nc(N)nc(C[N@H+](C)CCCn2cc[nH+]c2)n1 ZINC000269183294 389406070 /nfs/dbraw/zinc/40/60/70/389406070.db2.gz JGYXRAAZLHPHMT-UHFFFAOYSA-N 2 2 290.375 0.238 20 0 CCADLP CN(C)c1nc(N)nc(C[N@@H+](C)CCCn2cc[nH+]c2)n1 ZINC000269183294 389406072 /nfs/dbraw/zinc/40/60/72/389406072.db2.gz JGYXRAAZLHPHMT-UHFFFAOYSA-N 2 2 290.375 0.238 20 0 CCADLP C[C@H]1C[N@H+](CCN(C)C[C@@H]2CCC[NH+]2C)CCO1 ZINC000421005976 389345576 /nfs/dbraw/zinc/34/55/76/389345576.db2.gz VQXVWAAGUVCVGM-KBPBESRZSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@H]1C[N@@H+](CCN(C)C[C@@H]2CCC[NH+]2C)CCO1 ZINC000421005976 389345578 /nfs/dbraw/zinc/34/55/78/389345578.db2.gz VQXVWAAGUVCVGM-KBPBESRZSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@H]1C[NH+](CCN(C)C[C@@H]2CCC[N@@H+]2C)CCO1 ZINC000421005976 389345581 /nfs/dbraw/zinc/34/55/81/389345581.db2.gz VQXVWAAGUVCVGM-KBPBESRZSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@H]1C[NH+](CCN(C)C[C@@H]2CCC[N@H+]2C)CCO1 ZINC000421005976 389345585 /nfs/dbraw/zinc/34/55/85/389345585.db2.gz VQXVWAAGUVCVGM-KBPBESRZSA-N 2 2 255.406 0.733 20 0 CCADLP CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000422728864 389461467 /nfs/dbraw/zinc/46/14/67/389461467.db2.gz AYLXEODCSZRPSD-SMDDNHRTSA-N 2 2 297.424 0.682 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](OC)C2)CC1 ZINC000170820977 389464412 /nfs/dbraw/zinc/46/44/12/389464412.db2.gz FUKGPANROQJKBT-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](OC)C2)CC1 ZINC000170820977 389464414 /nfs/dbraw/zinc/46/44/14/389464414.db2.gz FUKGPANROQJKBT-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@@H](N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)[C@H]1CCC[NH2+]1 ZINC000422745870 389465183 /nfs/dbraw/zinc/46/51/83/389465183.db2.gz VWGYCUDAIPNXBN-REWJHTLYSA-N 2 2 255.406 0.826 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@@H](C)[N@H+](C)C1CC1 ZINC000422744378 389465471 /nfs/dbraw/zinc/46/54/71/389465471.db2.gz SQJHEDLRTVHIIU-RAIGVLPGSA-N 2 2 269.389 0.352 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000422744378 389465475 /nfs/dbraw/zinc/46/54/75/389465475.db2.gz SQJHEDLRTVHIIU-RAIGVLPGSA-N 2 2 269.389 0.352 20 0 CCADLP [NH3+]C1CCC(NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000422757875 389469401 /nfs/dbraw/zinc/46/94/01/389469401.db2.gz IITYKODBUKVZAP-YMAMQOFZSA-N 2 2 295.427 0.873 20 0 CCADLP [NH3+]C1CCC(NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000422757875 389469404 /nfs/dbraw/zinc/46/94/04/389469404.db2.gz IITYKODBUKVZAP-YMAMQOFZSA-N 2 2 295.427 0.873 20 0 CCADLP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000422766731 389470125 /nfs/dbraw/zinc/47/01/25/389470125.db2.gz MGSQUQXNILILKM-HUUCEWRRSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000422766731 389470129 /nfs/dbraw/zinc/47/01/29/389470129.db2.gz MGSQUQXNILILKM-HUUCEWRRSA-N 2 2 295.427 0.698 20 0 CCADLP CC(C)(C)NC(=O)C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422815777 389480785 /nfs/dbraw/zinc/48/07/85/389480785.db2.gz YJGVSSXMQZPMBR-WCQYABFASA-N 2 2 269.389 0.258 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@]1(N(C)C)CCSC1 ZINC000422822216 389482721 /nfs/dbraw/zinc/48/27/21/389482721.db2.gz JJSINHZMQPGFDW-MGPQQGTHSA-N 2 2 287.473 0.780 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(c2cc(NC3CC3)[nH+]cn2)[C@H](C)C1 ZINC000413253433 389484618 /nfs/dbraw/zinc/48/46/18/389484618.db2.gz UXPQZWFOCSERTF-NEPJUHHUSA-N 2 2 291.399 0.942 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(c2cc(NC3CC3)[nH+]cn2)[C@H](C)C1 ZINC000413253433 389484623 /nfs/dbraw/zinc/48/46/23/389484623.db2.gz UXPQZWFOCSERTF-NEPJUHHUSA-N 2 2 291.399 0.942 20 0 CCADLP COCC[N@H+](C)CCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422845866 389489480 /nfs/dbraw/zinc/48/94/80/389489480.db2.gz OYIVECVEENGTOH-HUUCEWRRSA-N 3 2 285.432 0.311 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422845866 389489483 /nfs/dbraw/zinc/48/94/83/389489483.db2.gz OYIVECVEENGTOH-HUUCEWRRSA-N 3 2 285.432 0.311 20 0 CCADLP CC(C)[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C(=O)N1CCOCC1 ZINC000422848007 389491263 /nfs/dbraw/zinc/49/12/63/389491263.db2.gz JCTKORVPVKSDKZ-MELADBBJSA-N 2 2 283.416 0.600 20 0 CCADLP Cc1ccc2[nH+]c(CN3CCO[C@@H](C[NH3+])C3)cn2c1 ZINC000165037947 389438134 /nfs/dbraw/zinc/43/81/34/389438134.db2.gz WKXJXSVVOUGVGH-ZDUSSCGKSA-N 2 2 260.341 0.802 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000372102061 389443176 /nfs/dbraw/zinc/44/31/76/389443176.db2.gz MEYQACKBYMHPIL-CQSZACIVSA-N 2 2 287.379 0.257 20 0 CCADLP CN(C(=O)C1(O)CCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372320360 389448581 /nfs/dbraw/zinc/44/85/81/389448581.db2.gz MAURVMYOBUFOEP-AWEZNQCLSA-N 2 2 295.427 0.528 20 0 CCADLP CN(C(=O)C1(O)CCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372320360 389448583 /nfs/dbraw/zinc/44/85/83/389448583.db2.gz MAURVMYOBUFOEP-AWEZNQCLSA-N 2 2 295.427 0.528 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000422855362 389492924 /nfs/dbraw/zinc/49/29/24/389492924.db2.gz CKHCKBPKMMHUBG-STQMWFEESA-N 2 2 269.389 0.341 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000422855362 389492927 /nfs/dbraw/zinc/49/29/27/389492927.db2.gz CKHCKBPKMMHUBG-STQMWFEESA-N 2 2 269.389 0.341 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000422700898 389454111 /nfs/dbraw/zinc/45/41/11/389454111.db2.gz COHOJSFGINPFIY-CABCVRRESA-N 2 2 297.443 0.945 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000422700898 389454117 /nfs/dbraw/zinc/45/41/17/389454117.db2.gz COHOJSFGINPFIY-CABCVRRESA-N 2 2 297.443 0.945 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1[nH+]ccn1C ZINC000349906001 389455793 /nfs/dbraw/zinc/45/57/93/389455793.db2.gz VRPRIIJGCJZVRL-GFCCVEGCSA-N 2 2 295.387 0.330 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)NCc1[nH+]ccn1C ZINC000349906001 389455799 /nfs/dbraw/zinc/45/57/99/389455799.db2.gz VRPRIIJGCJZVRL-GFCCVEGCSA-N 2 2 295.387 0.330 20 0 CCADLP COCC[NH2+]CC[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@@H]1C ZINC000423343891 389568884 /nfs/dbraw/zinc/56/88/84/389568884.db2.gz WJHXREZOUBCTIO-YNEHKIRRSA-N 2 2 272.389 0.790 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000422976379 389515200 /nfs/dbraw/zinc/51/52/00/389515200.db2.gz IEJWCPMUVJXINS-BZUAXINKSA-N 3 2 299.459 0.436 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000423006888 389521177 /nfs/dbraw/zinc/52/11/77/389521177.db2.gz WTDRAOAWYFHLRZ-ILXRZTDVSA-N 2 2 297.443 0.990 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1NC[C@H]1CCC[N@H+]1CC(C)C ZINC000423006888 389521180 /nfs/dbraw/zinc/52/11/80/389521180.db2.gz WTDRAOAWYFHLRZ-ILXRZTDVSA-N 2 2 297.443 0.990 20 0 CCADLP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCC[C@H]2[NH3+])ccn1 ZINC000423020390 389522833 /nfs/dbraw/zinc/52/28/33/389522833.db2.gz BFILITQKODYASV-KGLIPLIRSA-N 3 2 278.400 0.991 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC000276657183 389524748 /nfs/dbraw/zinc/52/47/48/389524748.db2.gz ZXPYDHZVMAPDBN-ZDUSSCGKSA-N 2 2 264.373 0.953 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC000276657183 389524751 /nfs/dbraw/zinc/52/47/51/389524751.db2.gz ZXPYDHZVMAPDBN-ZDUSSCGKSA-N 2 2 264.373 0.953 20 0 CCADLP OC[C@@H](Cc1ccccc1)[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423045762 389526190 /nfs/dbraw/zinc/52/61/90/389526190.db2.gz CMKBARRWBVDLLI-ZACQAIPSSA-N 2 2 290.407 0.947 20 0 CCADLP CCNC(=O)C1(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CCC1 ZINC000423081895 389531661 /nfs/dbraw/zinc/53/16/61/389531661.db2.gz VYGNXSDGRCOPLZ-KGLIPLIRSA-N 2 2 295.427 0.649 20 0 CCADLP CC[C@H]1CN(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CCO1 ZINC000423091405 389532890 /nfs/dbraw/zinc/53/28/90/389532890.db2.gz XAMVEYLCZCCNRQ-RDBSUJKOSA-N 2 2 255.406 0.827 20 0 CCADLP CC[C@H]1C[N@H+](CCN[C@H](C)[C@@H]2CCC[NH2+]2)CCO1 ZINC000423091405 389532897 /nfs/dbraw/zinc/53/28/97/389532897.db2.gz XAMVEYLCZCCNRQ-RDBSUJKOSA-N 2 2 255.406 0.827 20 0 CCADLP CC[C@H]1C[N@@H+](CCN[C@H](C)[C@@H]2CCC[NH2+]2)CCO1 ZINC000423091405 389532903 /nfs/dbraw/zinc/53/29/03/389532903.db2.gz XAMVEYLCZCCNRQ-RDBSUJKOSA-N 2 2 255.406 0.827 20 0 CCADLP FC(F)OCCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423116509 389537711 /nfs/dbraw/zinc/53/77/11/389537711.db2.gz QCWYCGIYYLPHIL-QWRGUYRKSA-N 2 2 264.316 0.972 20 0 CCADLP Cc1nccnc1N1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000374135186 389549617 /nfs/dbraw/zinc/54/96/17/389549617.db2.gz BXEFLSZJFYVJNS-UHFFFAOYSA-N 2 2 272.356 0.804 20 0 CCADLP C([NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)[C@@H]1CCC[NH2+]C1 ZINC000423207080 389553408 /nfs/dbraw/zinc/55/34/08/389553408.db2.gz GOOJDVWSDRILKB-XBFCOCLRSA-N 3 2 253.390 0.343 20 0 CCADLP C[C@]1(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CCC[NH2+]C1 ZINC000423352021 389571367 /nfs/dbraw/zinc/57/13/67/389571367.db2.gz ZZHDMKQNPYXDNI-ZNMIVQPWSA-N 3 2 267.417 0.733 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCC[N@H+](C)C(C)C ZINC000422882357 389498300 /nfs/dbraw/zinc/49/83/00/389498300.db2.gz SAGNDQIFJYDUOD-VXGBXAGGSA-N 2 2 257.378 0.210 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCC[N@@H+](C)C(C)C ZINC000422882357 389498302 /nfs/dbraw/zinc/49/83/02/389498302.db2.gz SAGNDQIFJYDUOD-VXGBXAGGSA-N 2 2 257.378 0.210 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1NCC[N@H+](CC)C1CC1 ZINC000422883387 389498488 /nfs/dbraw/zinc/49/84/88/389498488.db2.gz UZXVFGLTMUAEJO-STQMWFEESA-N 2 2 269.389 0.354 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1NCC[N@@H+](CC)C1CC1 ZINC000422883387 389498491 /nfs/dbraw/zinc/49/84/91/389498491.db2.gz UZXVFGLTMUAEJO-STQMWFEESA-N 2 2 269.389 0.354 20 0 CCADLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)[C@@H]1CCC[NH2+]1 ZINC000422890236 389500320 /nfs/dbraw/zinc/50/03/20/389500320.db2.gz ROWDTFAUEQAFAU-RDBSUJKOSA-N 3 2 282.432 0.446 20 0 CCADLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)[C@@H]1CCC[NH2+]1 ZINC000422890236 389500323 /nfs/dbraw/zinc/50/03/23/389500323.db2.gz ROWDTFAUEQAFAU-RDBSUJKOSA-N 3 2 282.432 0.446 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422883834 389500461 /nfs/dbraw/zinc/50/04/61/389500461.db2.gz VRFUPBVZVQEGMR-ILXRZTDVSA-N 2 2 295.427 0.840 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422883834 389500462 /nfs/dbraw/zinc/50/04/62/389500462.db2.gz VRFUPBVZVQEGMR-ILXRZTDVSA-N 2 2 295.427 0.840 20 0 CCADLP CN1CCC[C@@H]1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422905777 389503509 /nfs/dbraw/zinc/50/35/09/389503509.db2.gz SSIOWRSXIRSLIO-HZSPNIEDSA-N 2 2 253.390 0.437 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCNC(=O)c1ccccc1 ZINC000422914612 389504166 /nfs/dbraw/zinc/50/41/66/389504166.db2.gz VAMQHVFQQYRKNI-DZGCQCFKSA-N 2 2 291.395 0.773 20 0 CCADLP CC[C@H](C)[C@@H](O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414356273 389612498 /nfs/dbraw/zinc/61/24/98/389612498.db2.gz YYMMZZYPAPMIBW-JQWIXIFHSA-N 2 2 254.378 0.983 20 0 CCADLP C[N@@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000374984340 389625259 /nfs/dbraw/zinc/62/52/59/389625259.db2.gz ZAQKZJITUXLRNY-UHFFFAOYSA-N 2 2 269.389 0.261 20 0 CCADLP C[N@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000374984340 389625262 /nfs/dbraw/zinc/62/52/62/389625262.db2.gz ZAQKZJITUXLRNY-UHFFFAOYSA-N 2 2 269.389 0.261 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000414753747 389635224 /nfs/dbraw/zinc/63/52/24/389635224.db2.gz FDBMWBKHILFACH-KKUMJFAQSA-N 2 2 280.416 0.801 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000414753747 389635226 /nfs/dbraw/zinc/63/52/26/389635226.db2.gz FDBMWBKHILFACH-KKUMJFAQSA-N 2 2 280.416 0.801 20 0 CCADLP COCCN(C)c1ccc(C[NH2+][C@@H]2CC[NH2+]C2)cn1 ZINC000414886843 389642692 /nfs/dbraw/zinc/64/26/92/389642692.db2.gz QPAPRLIVXICCCB-CYBMUJFWSA-N 2 2 264.373 0.616 20 0 CCADLP [NH3+]CC[N@H+](CCO)Cc1cccc(-n2cccn2)c1 ZINC000414918096 389644652 /nfs/dbraw/zinc/64/46/52/389644652.db2.gz XPGWFQHMZALZGB-UHFFFAOYSA-N 2 2 260.341 0.625 20 0 CCADLP [NH3+]CC[N@@H+](CCO)Cc1cccc(-n2cccn2)c1 ZINC000414918096 389644656 /nfs/dbraw/zinc/64/46/56/389644656.db2.gz XPGWFQHMZALZGB-UHFFFAOYSA-N 2 2 260.341 0.625 20 0 CCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423355826 389572813 /nfs/dbraw/zinc/57/28/13/389572813.db2.gz PQTCGCINMHPPQF-DOMZBBRYSA-N 2 2 291.420 0.974 20 0 CCADLP O=C(NCC[N@H+]1CCc2sccc2C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423355826 389572815 /nfs/dbraw/zinc/57/28/15/389572815.db2.gz PQTCGCINMHPPQF-DOMZBBRYSA-N 2 2 291.420 0.974 20 0 CCADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1cccc(S(N)(=O)=O)c1 ZINC000423378758 389576138 /nfs/dbraw/zinc/57/61/38/389576138.db2.gz ZTYCRLGTEMPPPD-MJVIPROJSA-N 2 2 297.424 0.983 20 0 CCADLP [NH3+]CC[N@H+](CCO)CCCc1ccc2c(c1)CCO2 ZINC000414913141 389645092 /nfs/dbraw/zinc/64/50/92/389645092.db2.gz LSPRUSJRXZEPFA-UHFFFAOYSA-N 2 2 264.369 0.807 20 0 CCADLP [NH3+]CC[N@@H+](CCO)CCCc1ccc2c(c1)CCO2 ZINC000414913141 389645100 /nfs/dbraw/zinc/64/51/00/389645100.db2.gz LSPRUSJRXZEPFA-UHFFFAOYSA-N 2 2 264.369 0.807 20 0 CCADLP CC1(C(=O)NCCCCNc2cccc[nH+]2)C[NH2+]C1 ZINC000423398920 389579089 /nfs/dbraw/zinc/57/90/89/389579089.db2.gz PFFFCSPPGSYKAE-UHFFFAOYSA-N 2 2 262.357 0.999 20 0 CCADLP CC(C)C(=O)NC1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351390085 389580817 /nfs/dbraw/zinc/58/08/17/389580817.db2.gz VIXIFJLBJRDNQO-OAHLLOKOSA-N 2 2 297.443 0.678 20 0 CCADLP CC(C)C(=O)NC1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351390085 389580822 /nfs/dbraw/zinc/58/08/22/389580822.db2.gz VIXIFJLBJRDNQO-OAHLLOKOSA-N 2 2 297.443 0.678 20 0 CCADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000423460057 389590664 /nfs/dbraw/zinc/59/06/64/389590664.db2.gz INPWYNYDPUYNMS-SNPRPXQTSA-N 2 2 295.427 0.683 20 0 CCADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000423460057 389590668 /nfs/dbraw/zinc/59/06/68/389590668.db2.gz INPWYNYDPUYNMS-SNPRPXQTSA-N 2 2 295.427 0.683 20 0 CCADLP CC(=O)N1CCC(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000335711013 389591913 /nfs/dbraw/zinc/59/19/13/389591913.db2.gz RHUSSCZYLBEUQY-FZMZJTMJSA-N 2 2 253.390 0.785 20 0 CCADLP CC(=O)N1CCC(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000335711013 389591914 /nfs/dbraw/zinc/59/19/14/389591914.db2.gz RHUSSCZYLBEUQY-FZMZJTMJSA-N 2 2 253.390 0.785 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423512319 389597804 /nfs/dbraw/zinc/59/78/04/389597804.db2.gz PRXGMCGFPVLRNL-LMPOIIKSSA-N 3 2 280.460 0.790 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423512319 389597809 /nfs/dbraw/zinc/59/78/09/389597809.db2.gz PRXGMCGFPVLRNL-LMPOIIKSSA-N 3 2 280.460 0.790 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000423514124 389597928 /nfs/dbraw/zinc/59/79/28/389597928.db2.gz DAYHPEDXKRMKEV-GDBMZVCRSA-N 2 2 297.443 0.993 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000423514124 389597929 /nfs/dbraw/zinc/59/79/29/389597929.db2.gz DAYHPEDXKRMKEV-GDBMZVCRSA-N 2 2 297.443 0.993 20 0 CCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000423525909 389600216 /nfs/dbraw/zinc/60/02/16/389600216.db2.gz YVAPVJREXCKGFQ-CYBMUJFWSA-N 2 2 298.431 0.043 20 0 CCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000423525909 389600219 /nfs/dbraw/zinc/60/02/19/389600219.db2.gz YVAPVJREXCKGFQ-CYBMUJFWSA-N 2 2 298.431 0.043 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000423529304 389600304 /nfs/dbraw/zinc/60/03/04/389600304.db2.gz PNKRTGUATIFJTH-GBJTYRQASA-N 2 2 295.427 0.683 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000423529304 389600307 /nfs/dbraw/zinc/60/03/07/389600307.db2.gz PNKRTGUATIFJTH-GBJTYRQASA-N 2 2 295.427 0.683 20 0 CCADLP O=C(COC1C[NH2+]C1)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000428781473 389719764 /nfs/dbraw/zinc/71/97/64/389719764.db2.gz GSGGZZRGAKRHRC-UHFFFAOYSA-N 2 2 290.367 0.286 20 0 CCADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000414967161 389649670 /nfs/dbraw/zinc/64/96/70/389649670.db2.gz PPKKOWBYZZIGIR-KRWDZBQOSA-N 2 2 299.422 0.925 20 0 CCADLP COc1cc(C)c(C[N@H+](C)C[C@@H](O)C[NH3+])c(C)n1 ZINC000415069592 389655351 /nfs/dbraw/zinc/65/53/51/389655351.db2.gz PDZFNEWBCSXHED-NSHDSACASA-N 2 2 253.346 0.458 20 0 CCADLP COc1cc(C)c(C[N@@H+](C)C[C@@H](O)C[NH3+])c(C)n1 ZINC000415069592 389655355 /nfs/dbraw/zinc/65/53/55/389655355.db2.gz PDZFNEWBCSXHED-NSHDSACASA-N 2 2 253.346 0.458 20 0 CCADLP C([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[C@@H]1C[NH2+]CCO1 ZINC000415090407 389656714 /nfs/dbraw/zinc/65/67/14/389656714.db2.gz AMDBTICOFQFERE-RVMXOQNASA-N 2 2 252.358 0.522 20 0 CCADLP FC(F)(F)c1cc(C[NH2+]C[C@H]2C[NH2+]CCO2)[nH]n1 ZINC000415097905 389658000 /nfs/dbraw/zinc/65/80/00/389658000.db2.gz UJCSDSTUJQAPDU-MRVPVSSYSA-N 2 2 264.251 0.507 20 0 CCADLP NC(=O)[C@@H](C[NH2+][C@@H]1CCC[NH2+]C1)Cc1ccc(F)cc1 ZINC000415103479 389659879 /nfs/dbraw/zinc/65/98/79/389659879.db2.gz KJDYLXDSKDXCCY-TZMCWYRMSA-N 2 2 279.359 0.811 20 0 CCADLP CN(Cc1c[nH+]c2ccc(Cl)cn12)[C@H]1C[NH2+]C[C@@H]1O ZINC000415110091 389660761 /nfs/dbraw/zinc/66/07/61/389660761.db2.gz YWUWOXYQYCVLQR-RYUDHWBXSA-N 2 2 280.759 0.752 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@]3(C2)CCCOC3)CC1 ZINC000375291578 389661451 /nfs/dbraw/zinc/66/14/51/389661451.db2.gz ICZHJKFZIXYMBG-OAHLLOKOSA-N 2 2 281.400 0.263 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@]3(C2)CCCOC3)CC1 ZINC000375291578 389661453 /nfs/dbraw/zinc/66/14/53/389661453.db2.gz ICZHJKFZIXYMBG-OAHLLOKOSA-N 2 2 281.400 0.263 20 0 CCADLP COC(=O)[C@@H](C)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375891963 389722934 /nfs/dbraw/zinc/72/29/34/389722934.db2.gz SMSHXVFNLNLRHR-KGLIPLIRSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000426767607 389678821 /nfs/dbraw/zinc/67/88/21/389678821.db2.gz OOQAFNFAMQOIAO-LJISPDSOSA-N 2 2 295.427 0.506 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000426767607 389678824 /nfs/dbraw/zinc/67/88/24/389678824.db2.gz OOQAFNFAMQOIAO-LJISPDSOSA-N 2 2 295.427 0.506 20 0 CCADLP CC(C)[C@H](C(=O)N[C@@H]1CCn2cc[nH+]c2C1)[NH+](C)C ZINC000428361372 389694467 /nfs/dbraw/zinc/69/44/67/389694467.db2.gz UEUKBXOXFLJDMM-DGCLKSJQSA-N 2 2 264.373 0.900 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000375634382 389695374 /nfs/dbraw/zinc/69/53/74/389695374.db2.gz IGKGAONRKAMMRJ-IIAWOOMASA-N 2 2 294.443 0.128 20 0 CCADLP Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[NH2+][C@H]2C)c(C)[nH+]1 ZINC000415674937 389697140 /nfs/dbraw/zinc/69/71/40/389697140.db2.gz LPDLGDXCTOAHAO-JQWIXIFHSA-N 2 2 290.367 0.894 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351862763 389702779 /nfs/dbraw/zinc/70/27/79/389702779.db2.gz QKCAJQMLUUMSIE-RYUDHWBXSA-N 2 2 262.419 0.869 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351862763 389702782 /nfs/dbraw/zinc/70/27/82/389702782.db2.gz QKCAJQMLUUMSIE-RYUDHWBXSA-N 2 2 262.419 0.869 20 0 CCADLP C[C@@H](C(=O)NCC[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000429406970 389754975 /nfs/dbraw/zinc/75/49/75/389754975.db2.gz PVZSEEIJHPXRTJ-QWHCGFSZSA-N 2 2 269.389 0.213 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000380240772 389763558 /nfs/dbraw/zinc/76/35/58/389763558.db2.gz VMNIBWRXLMVBHE-SECBINFHSA-N 2 2 254.359 0.429 20 0 CCADLP C[C@H]1C[C@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)CC[NH2+]1 ZINC000416812359 389772966 /nfs/dbraw/zinc/77/29/66/389772966.db2.gz DVBOMRJAOOEDFY-QWHCGFSZSA-N 2 2 298.431 0.537 20 0 CCADLP CC(C)(CNC(=O)N[C@H]1CC[C@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000416832045 389774803 /nfs/dbraw/zinc/77/48/03/389774803.db2.gz UEZAGQYXENKYSN-STQMWFEESA-N 2 2 298.431 0.524 20 0 CCADLP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000416834099 389775534 /nfs/dbraw/zinc/77/55/34/389775534.db2.gz WHRIDPGWACYYDA-STQMWFEESA-N 2 2 298.431 0.394 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]CC2(C)COC2)C1 ZINC000352241395 389777607 /nfs/dbraw/zinc/77/76/07/389777607.db2.gz LOUTYMWETPEVCF-ZDUSSCGKSA-N 2 2 256.390 0.969 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]CC2(C)COC2)C1 ZINC000352241395 389777610 /nfs/dbraw/zinc/77/76/10/389777610.db2.gz LOUTYMWETPEVCF-ZDUSSCGKSA-N 2 2 256.390 0.969 20 0 CCADLP O=C(NCc1cn2ccccc2[nH+]1)N1CC[NH2+]CC1 ZINC000416868796 389777657 /nfs/dbraw/zinc/77/76/57/389777657.db2.gz KBEWRQGXWOCICN-UHFFFAOYSA-N 2 2 259.313 0.449 20 0 CCADLP CCNC(=O)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352251373 389779165 /nfs/dbraw/zinc/77/91/65/389779165.db2.gz QNFVGZYTSJMAGX-UHFFFAOYSA-N 2 2 256.375 0.430 20 0 CCADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)NCC[NH3+] ZINC000416880267 389779138 /nfs/dbraw/zinc/77/91/38/389779138.db2.gz ZMJJNJCOUHUZDB-UHFFFAOYSA-N 2 2 275.356 0.993 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000417003712 389788079 /nfs/dbraw/zinc/78/80/79/389788079.db2.gz BQRCZRBIMFODOG-LBPRGKRZSA-N 2 2 277.372 0.699 20 0 CCADLP C[NH2+][C@@H]1CCCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000417019430 389790352 /nfs/dbraw/zinc/79/03/52/389790352.db2.gz GERWJEGABIRCSF-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000417019483 389790544 /nfs/dbraw/zinc/79/05/44/389790544.db2.gz GJTUWMUHMSNRDQ-AGIUHOORSA-N 2 2 284.404 0.086 20 0 CCADLP CC(C)[C@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[C@H](C)[NH3+] ZINC000399669109 389793640 /nfs/dbraw/zinc/79/36/40/389793640.db2.gz RUCHBENIVNPZBO-MJBXVCDLSA-N 2 2 283.416 0.539 20 0 CCADLP O=C(NCCCNc1cccc[nH+]1)NC1CC[NH2+]CC1 ZINC000417077307 389793862 /nfs/dbraw/zinc/79/38/62/389793862.db2.gz LHVHCXBLWNZZSV-UHFFFAOYSA-N 2 2 277.372 0.935 20 0 CCADLP C[C@H]1C[C@@H]1[N@@H+]1CCN(CC[NH+]2CCOCC2)C[C@@H](C)C1 ZINC000428989055 389731700 /nfs/dbraw/zinc/73/17/00/389731700.db2.gz CZUXORRMSJVACI-PMPSAXMXSA-N 2 2 281.444 0.981 20 0 CCADLP C[C@H]1C[C@@H]1[N@H+]1CCN(CC[NH+]2CCOCC2)C[C@@H](C)C1 ZINC000428989055 389731703 /nfs/dbraw/zinc/73/17/03/389731703.db2.gz CZUXORRMSJVACI-PMPSAXMXSA-N 2 2 281.444 0.981 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)C[NH+](C)[C@H]1CCSC1 ZINC000352029960 389739048 /nfs/dbraw/zinc/73/90/48/389739048.db2.gz SWSKJUHRWRQWLD-UPJWGTAASA-N 2 2 285.457 0.975 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)C[NH+](C)[C@H]1CCSC1 ZINC000352029960 389739050 /nfs/dbraw/zinc/73/90/50/389739050.db2.gz SWSKJUHRWRQWLD-UPJWGTAASA-N 2 2 285.457 0.975 20 0 CCADLP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000352029960 389739052 /nfs/dbraw/zinc/73/90/52/389739052.db2.gz SWSKJUHRWRQWLD-UPJWGTAASA-N 2 2 285.457 0.975 20 0 CCADLP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000352029960 389739054 /nfs/dbraw/zinc/73/90/54/389739054.db2.gz SWSKJUHRWRQWLD-UPJWGTAASA-N 2 2 285.457 0.975 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000416430648 389741927 /nfs/dbraw/zinc/74/19/27/389741927.db2.gz DELZRMNLPUTWIY-WDEREUQCSA-N 2 2 253.350 0.554 20 0 CCADLP COCCc1noc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000430567173 389808435 /nfs/dbraw/zinc/80/84/35/389808435.db2.gz AHNSCQWQMQOCBE-WDEREUQCSA-N 2 2 268.361 0.818 20 0 CCADLP COCCc1noc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000430567173 389808437 /nfs/dbraw/zinc/80/84/37/389808437.db2.gz AHNSCQWQMQOCBE-WDEREUQCSA-N 2 2 268.361 0.818 20 0 CCADLP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000430686883 389817115 /nfs/dbraw/zinc/81/71/15/389817115.db2.gz ODEOQXKJWQPUKB-NWDGAFQWSA-N 2 2 278.356 0.494 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000417498218 389820645 /nfs/dbraw/zinc/82/06/45/389820645.db2.gz CIGSOLWRNGJGTI-KBPBESRZSA-N 2 2 298.431 0.539 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000417498218 389820648 /nfs/dbraw/zinc/82/06/48/389820648.db2.gz CIGSOLWRNGJGTI-KBPBESRZSA-N 2 2 298.431 0.539 20 0 CCADLP C[C@@H]1CN(C(=O)NCC[N@@H+]2CCOCC2(C)C)[C@H](C)C[NH2+]1 ZINC000417501481 389821497 /nfs/dbraw/zinc/82/14/97/389821497.db2.gz IVKMHPXDTCHJTJ-CHWSQXEVSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1CN(C(=O)NCC[N@H+]2CCOCC2(C)C)[C@H](C)C[NH2+]1 ZINC000417501481 389821499 /nfs/dbraw/zinc/82/14/99/389821499.db2.gz IVKMHPXDTCHJTJ-CHWSQXEVSA-N 2 2 298.431 0.489 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)NC1CC[NH2+]CC1 ZINC000417502046 389821504 /nfs/dbraw/zinc/82/15/04/389821504.db2.gz JFRDCCAPMYMONZ-UHFFFAOYSA-N 2 2 284.404 0.148 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)NC1CC[NH2+]CC1 ZINC000417502046 389821506 /nfs/dbraw/zinc/82/15/06/389821506.db2.gz JFRDCCAPMYMONZ-UHFFFAOYSA-N 2 2 284.404 0.148 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000417499577 389821840 /nfs/dbraw/zinc/82/18/40/389821840.db2.gz FKZAUVBJNQPEAF-HZSPNIEDSA-N 2 2 298.431 0.524 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000417499577 389821843 /nfs/dbraw/zinc/82/18/43/389821843.db2.gz FKZAUVBJNQPEAF-HZSPNIEDSA-N 2 2 298.431 0.524 20 0 CCADLP O=C(COC1C[NH2+]C1)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000430745037 389821981 /nfs/dbraw/zinc/82/19/81/389821981.db2.gz VGXLLKAUOKKMOI-UHFFFAOYSA-N 2 2 294.742 0.592 20 0 CCADLP CC[NH+]1CCC([NH2+][C@@H](CCSC)C(=O)NC)CC1 ZINC000352512707 389822663 /nfs/dbraw/zinc/82/26/63/389822663.db2.gz ZMKWYOPWEOTSDA-LBPRGKRZSA-N 2 2 273.446 0.928 20 0 CCADLP CNC(=O)[C@H](CCSC)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000352512353 389822789 /nfs/dbraw/zinc/82/27/89/389822789.db2.gz WWONDHKUHPLCBK-WOPDTQHZSA-N 2 2 273.446 0.926 20 0 CCADLP CNC(=O)[C@H](CCSC)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000352512353 389822792 /nfs/dbraw/zinc/82/27/92/389822792.db2.gz WWONDHKUHPLCBK-WOPDTQHZSA-N 2 2 273.446 0.926 20 0 CCADLP C[C@H]1[NH2+]CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)[C@@H]1C ZINC000417512994 389824227 /nfs/dbraw/zinc/82/42/27/389824227.db2.gz WJEZQQDIHLKUOL-CHWSQXEVSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H](CC[NH3+])NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000417513288 389824328 /nfs/dbraw/zinc/82/43/28/389824328.db2.gz XEWYMXXCRWOACX-NSHDSACASA-N 2 2 272.393 0.134 20 0 CCADLP C[C@@H](CC[NH3+])NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000417513288 389824329 /nfs/dbraw/zinc/82/43/29/389824329.db2.gz XEWYMXXCRWOACX-NSHDSACASA-N 2 2 272.393 0.134 20 0 CCADLP C[C@H]([NH3+])CC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000430901449 389833084 /nfs/dbraw/zinc/83/30/84/389833084.db2.gz TVGSPMIXDNEAIR-LBPRGKRZSA-N 2 2 277.368 0.774 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC(=O)NC)C[C@H]1C ZINC000408215590 389836078 /nfs/dbraw/zinc/83/60/78/389836078.db2.gz CZXMKHDNXBRHAV-MNOVXSKESA-N 2 2 270.377 0.247 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC(=O)NC)C[C@H]1C ZINC000408215590 389836081 /nfs/dbraw/zinc/83/60/81/389836081.db2.gz CZXMKHDNXBRHAV-MNOVXSKESA-N 2 2 270.377 0.247 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC(=O)NC)C[C@H]1C ZINC000408215590 389836083 /nfs/dbraw/zinc/83/60/83/389836083.db2.gz CZXMKHDNXBRHAV-MNOVXSKESA-N 2 2 270.377 0.247 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC(=O)NC)C[C@H]1C ZINC000408215590 389836084 /nfs/dbraw/zinc/83/60/84/389836084.db2.gz CZXMKHDNXBRHAV-MNOVXSKESA-N 2 2 270.377 0.247 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(C[NH2+]C)CC2)CC1 ZINC000430948814 389838253 /nfs/dbraw/zinc/83/82/53/389838253.db2.gz ADFDMKGPAISWSI-AWEZNQCLSA-N 3 2 296.459 0.470 20 0 CCADLP C[C@@H]1C[N@@H+]([C@H]2CCN(CC(F)(F)F)C2=O)CC[C@@H]1[NH3+] ZINC000430949649 389838979 /nfs/dbraw/zinc/83/89/79/389838979.db2.gz OHMMPHQADDXUTR-UTLUCORTSA-N 2 2 279.306 0.819 20 0 CCADLP C[C@@H]1C[N@H+]([C@H]2CCN(CC(F)(F)F)C2=O)CC[C@@H]1[NH3+] ZINC000430949649 389838983 /nfs/dbraw/zinc/83/89/83/389838983.db2.gz OHMMPHQADDXUTR-UTLUCORTSA-N 2 2 279.306 0.819 20 0 CCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)C1(C[NH3+])CCCC1 ZINC000431024280 389846054 /nfs/dbraw/zinc/84/60/54/389846054.db2.gz VGAKDQZOWCUGMB-ZDUSSCGKSA-N 2 2 282.432 0.258 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000353425241 389850251 /nfs/dbraw/zinc/85/02/51/389850251.db2.gz GTRABAKBUDFNLI-VHDGCEQUSA-N 2 2 295.427 0.459 20 0 CCADLP [NH3+][C@@H](CNC(=O)[C@@H]([NH3+])c1c(F)cccc1F)C1CC1 ZINC000417799544 389850263 /nfs/dbraw/zinc/85/02/63/389850263.db2.gz BEEIFUDHQMDWPA-JQWIXIFHSA-N 2 2 269.295 0.818 20 0 CCADLP C[C@H](C(=O)N1CCC[C@@H](CC[NH3+])C1)[NH+]1CCOCC1 ZINC000442620413 389850838 /nfs/dbraw/zinc/85/08/38/389850838.db2.gz JPPCJKMNMYNNJE-OLZOCXBDSA-N 2 2 269.389 0.295 20 0 CCADLP C[C@H]1CN(C(=O)NCc2c[nH+]c(N(C)C)n2C)[C@@H](C)C[NH2+]1 ZINC000417832051 389854025 /nfs/dbraw/zinc/85/40/25/389854025.db2.gz CTERSPKBDSZDLP-QWRGUYRKSA-N 2 2 294.403 0.378 20 0 CCADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000417846375 389856560 /nfs/dbraw/zinc/85/65/60/389856560.db2.gz TYUYHCJIEDWDGN-JWYUURKGSA-N 2 2 269.295 0.913 20 0 CCADLP CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000418203099 389870721 /nfs/dbraw/zinc/87/07/21/389870721.db2.gz DBKAQKHECWRWDG-JSGCOSHPSA-N 2 2 298.431 0.522 20 0 CCADLP CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000418203099 389870723 /nfs/dbraw/zinc/87/07/23/389870723.db2.gz DBKAQKHECWRWDG-JSGCOSHPSA-N 2 2 298.431 0.522 20 0 CCADLP C[NH+](C)Cc1nc(C2(NC(=O)[C@H]3CC[NH2+]3)CCCC2)no1 ZINC000444161430 389893060 /nfs/dbraw/zinc/89/30/60/389893060.db2.gz ONWROAUQDVUTKG-SNVBAGLBSA-N 2 2 293.371 0.379 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)c2coc(C[NH3+])c2)n1C ZINC000444167408 389893347 /nfs/dbraw/zinc/89/33/47/389893347.db2.gz MTFMRBYOEKRBGA-UHFFFAOYSA-N 2 2 277.328 0.468 20 0 CCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1CC[NH2+]1 ZINC000444171715 389894422 /nfs/dbraw/zinc/89/44/22/389894422.db2.gz YLQFXGKVJDDEPI-GFCCVEGCSA-N 2 2 260.341 0.660 20 0 CCADLP O=C([C@H]1CC[NH2+]1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000444187590 389895948 /nfs/dbraw/zinc/89/59/48/389895948.db2.gz SFIVMIXMRJECML-OAHLLOKOSA-N 2 2 289.379 0.572 20 0 CCADLP CC(C)[C@@H](C[NH3+])C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000433157714 389902013 /nfs/dbraw/zinc/90/20/13/389902013.db2.gz HAHZTLSTTITNRQ-VXGBXAGGSA-N 2 2 252.362 0.866 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000433157709 389902182 /nfs/dbraw/zinc/90/21/82/389902182.db2.gz HAHZTLSTTITNRQ-NEPJUHHUSA-N 2 2 252.362 0.866 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000435622168 389959287 /nfs/dbraw/zinc/95/92/87/389959287.db2.gz QJJTWFMNGYVTOI-OAHLLOKOSA-N 3 2 296.459 0.661 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000435622168 389959290 /nfs/dbraw/zinc/95/92/90/389959290.db2.gz QJJTWFMNGYVTOI-OAHLLOKOSA-N 3 2 296.459 0.661 20 0 CCADLP CC[N@H+](Cc1cc(=O)n2[nH]ccc2n1)[C@H]1CCC[NH2+]CC1 ZINC000435625007 389959920 /nfs/dbraw/zinc/95/99/20/389959920.db2.gz GTSFZVUHHVYSBX-ZDUSSCGKSA-N 2 2 289.383 0.987 20 0 CCADLP CC[N@@H+](Cc1cc(=O)n2[nH]ccc2n1)[C@H]1CCC[NH2+]CC1 ZINC000435625007 389959921 /nfs/dbraw/zinc/95/99/21/389959921.db2.gz GTSFZVUHHVYSBX-ZDUSSCGKSA-N 2 2 289.383 0.987 20 0 CCADLP CC[C@@H](C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)[NH+](C)C ZINC000447659995 389961639 /nfs/dbraw/zinc/96/16/39/389961639.db2.gz PYSGMNCAHKWOGP-STQMWFEESA-N 2 2 271.405 0.506 20 0 CCADLP C[NH2+]CCC[NH+]1CCN(c2ncnc3c2cnn3C)CC1 ZINC000435877218 389964873 /nfs/dbraw/zinc/96/48/73/389964873.db2.gz OLDJWCTVVSYOFI-UHFFFAOYSA-N 2 2 289.387 0.095 20 0 CCADLP C[C@@H]1CN(c2cc[nH+]c(N3CCOCC3)n2)CC[NH2+]1 ZINC000420236124 389970344 /nfs/dbraw/zinc/97/03/44/389970344.db2.gz IBIMNWRKSZGZNI-LLVKDONJSA-N 2 2 263.345 0.111 20 0 CCADLP C[C@H](O)CNc1cc(NCC[C@H]2CCC[NH2+]2)[nH+]cn1 ZINC000420240790 389971209 /nfs/dbraw/zinc/97/12/09/389971209.db2.gz RHHLNZWNXFJWRM-WDEREUQCSA-N 2 2 265.361 0.245 20 0 CCADLP C[C@H](O)CNc1cc(NCC[C@H]2CCC[NH2+]2)nc[nH+]1 ZINC000420240790 389971211 /nfs/dbraw/zinc/97/12/11/389971211.db2.gz RHHLNZWNXFJWRM-WDEREUQCSA-N 2 2 265.361 0.245 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](O)C(C)(C)C2)CC1 ZINC000446066256 389929347 /nfs/dbraw/zinc/92/93/47/389929347.db2.gz JWKHRGQJYIPBAB-ZIAGYGMSSA-N 2 2 297.443 0.632 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](O)C(C)(C)C2)CC1 ZINC000446066256 389929348 /nfs/dbraw/zinc/92/93/48/389929348.db2.gz JWKHRGQJYIPBAB-ZIAGYGMSSA-N 2 2 297.443 0.632 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCCN(c2ccnn2C)C1 ZINC000447065135 389945832 /nfs/dbraw/zinc/94/58/32/389945832.db2.gz FPIAMOACQJAILY-MCIONIFRSA-N 2 2 277.416 0.929 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCCN(c2ccnn2C)C1 ZINC000447065135 389945834 /nfs/dbraw/zinc/94/58/34/389945834.db2.gz FPIAMOACQJAILY-MCIONIFRSA-N 2 2 277.416 0.929 20 0 CCADLP C[NH+](C)CC(C)(C)NC(=O)NCCCn1cc[nH+]c1 ZINC000457396891 390042352 /nfs/dbraw/zinc/04/23/52/390042352.db2.gz ZEROQMPRUAGFSW-UHFFFAOYSA-N 2 2 267.377 0.913 20 0 CCADLP C[C@H]1CCCN(C(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)C1 ZINC000420296670 389979421 /nfs/dbraw/zinc/97/94/21/389979421.db2.gz XOAAGJKTXQGAQD-FZMZJTMJSA-N 2 2 253.390 0.962 20 0 CCADLP COc1ccc([C@@H](C[NH3+])C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000420315233 389982859 /nfs/dbraw/zinc/98/28/59/389982859.db2.gz LKDREQMVJJOCHX-HNNXBMFYSA-N 2 2 291.395 0.902 20 0 CCADLP C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420349407 389988059 /nfs/dbraw/zinc/98/80/59/389988059.db2.gz CVFUTMMRZUUQDK-SMDDNHRTSA-N 2 2 297.374 0.124 20 0 CCADLP C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420349407 389988060 /nfs/dbraw/zinc/98/80/60/389988060.db2.gz CVFUTMMRZUUQDK-SMDDNHRTSA-N 2 2 297.374 0.124 20 0 CCADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000420350604 389988637 /nfs/dbraw/zinc/98/86/37/389988637.db2.gz HJDANMIBQIJYIE-OCCSQVGLSA-N 2 2 279.384 0.882 20 0 CCADLP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000420350604 389988639 /nfs/dbraw/zinc/98/86/39/389988639.db2.gz HJDANMIBQIJYIE-OCCSQVGLSA-N 2 2 279.384 0.882 20 0 CCADLP CCc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000420353640 389989645 /nfs/dbraw/zinc/98/96/45/389989645.db2.gz NLHLUNLWCQOWLV-RISCZKNCSA-N 2 2 279.384 0.827 20 0 CCADLP CCc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000420353640 389989648 /nfs/dbraw/zinc/98/96/48/389989648.db2.gz NLHLUNLWCQOWLV-RISCZKNCSA-N 2 2 279.384 0.827 20 0 CCADLP C[N@@H+]1CCC[C@H](CCNC(=O)NCCn2cc[nH+]c2)C1 ZINC000457459414 390044631 /nfs/dbraw/zinc/04/46/31/390044631.db2.gz FCRUJYLVAUXIDM-CYBMUJFWSA-N 2 2 279.388 0.914 20 0 CCADLP C[N@H+]1CCC[C@H](CCNC(=O)NCCn2cc[nH+]c2)C1 ZINC000457459414 390044633 /nfs/dbraw/zinc/04/46/33/390044633.db2.gz FCRUJYLVAUXIDM-CYBMUJFWSA-N 2 2 279.388 0.914 20 0 CCADLP CC[C@H](C(=O)NC[C@H](C)[NH+](C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000448678050 389990724 /nfs/dbraw/zinc/99/07/24/389990724.db2.gz RFSVTIPDKCAVGZ-BFHYXJOUSA-N 2 2 285.432 0.942 20 0 CCADLP CC[C@H](C(=O)NC[C@H](C)[NH+](C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000448678050 389990727 /nfs/dbraw/zinc/99/07/27/389990727.db2.gz RFSVTIPDKCAVGZ-BFHYXJOUSA-N 2 2 285.432 0.942 20 0 CCADLP CCOCCNC(=O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420366824 389992569 /nfs/dbraw/zinc/99/25/69/389992569.db2.gz MNWBACKSZFJWKJ-GMXVVIOVSA-N 2 2 257.378 0.115 20 0 CCADLP CCCCNC(=O)NC(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420366049 389992749 /nfs/dbraw/zinc/99/27/49/389992749.db2.gz QTYMXVIEGMCQAC-JTQLQIEISA-N 2 2 272.393 0.575 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c[nH]1 ZINC000449389439 389993701 /nfs/dbraw/zinc/99/37/01/389993701.db2.gz CWOCWDXVAHABTJ-ZDUSSCGKSA-N 2 2 295.383 0.738 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c[nH]1 ZINC000449389439 389993702 /nfs/dbraw/zinc/99/37/02/389993702.db2.gz CWOCWDXVAHABTJ-ZDUSSCGKSA-N 2 2 295.383 0.738 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420370303 389993744 /nfs/dbraw/zinc/99/37/44/389993744.db2.gz LGBDMSBJKURZBH-OAHLLOKOSA-N 2 2 296.415 0.544 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420370303 389993745 /nfs/dbraw/zinc/99/37/45/389993745.db2.gz LGBDMSBJKURZBH-OAHLLOKOSA-N 2 2 296.415 0.544 20 0 CCADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)Nc1ccncc1 ZINC000420370486 389993932 /nfs/dbraw/zinc/99/39/32/389993932.db2.gz VZNSTURJKMFVJT-LLVKDONJSA-N 2 2 250.346 0.405 20 0 CCADLP C[C@H]([NH3+])C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000420375503 389994212 /nfs/dbraw/zinc/99/42/12/389994212.db2.gz POTFSCGVRNWKOB-OBJOEFQTSA-N 2 2 283.395 0.612 20 0 CCADLP C[C@H]([NH3+])C[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1ccnn1C ZINC000420375503 389994213 /nfs/dbraw/zinc/99/42/13/389994213.db2.gz POTFSCGVRNWKOB-OBJOEFQTSA-N 2 2 283.395 0.612 20 0 CCADLP C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420403557 389997738 /nfs/dbraw/zinc/99/77/38/389997738.db2.gz LDRRXNGOCAKUKW-GMTAPVOTSA-N 2 2 293.419 0.328 20 0 CCADLP C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420403557 389997740 /nfs/dbraw/zinc/99/77/40/389997740.db2.gz LDRRXNGOCAKUKW-GMTAPVOTSA-N 2 2 293.419 0.328 20 0 CCADLP C[C@@H]1CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C[C@H]1C[NH3+] ZINC000420409742 389998033 /nfs/dbraw/zinc/99/80/33/389998033.db2.gz QRGMUBHLJGWXOA-SIXLDLHFSA-N 3 2 291.439 0.834 20 0 CCADLP C[C@@H]1CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C[C@H]1C[NH3+] ZINC000420409742 389998034 /nfs/dbraw/zinc/99/80/34/389998034.db2.gz QRGMUBHLJGWXOA-SIXLDLHFSA-N 3 2 291.439 0.834 20 0 CCADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000457099792 390028849 /nfs/dbraw/zinc/02/88/49/390028849.db2.gz NJPGTJCHHCJNFQ-CHWSQXEVSA-N 2 2 292.383 0.286 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000457099792 390028851 /nfs/dbraw/zinc/02/88/51/390028851.db2.gz NJPGTJCHHCJNFQ-CHWSQXEVSA-N 2 2 292.383 0.286 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H](C)[NH+](C)C ZINC000459038395 390068104 /nfs/dbraw/zinc/06/81/04/390068104.db2.gz HLXGRPAWMFBNRB-STQMWFEESA-N 2 2 286.420 0.299 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@H+](CCN2C(=O)N[C@@H](C)C2=O)C1 ZINC000459359512 390073567 /nfs/dbraw/zinc/07/35/67/390073567.db2.gz QWKDLNFBCHNTJT-QWHCGFSZSA-N 2 2 296.415 0.590 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CCN2C(=O)N[C@@H](C)C2=O)C1 ZINC000459359512 390073568 /nfs/dbraw/zinc/07/35/68/390073568.db2.gz QWKDLNFBCHNTJT-QWHCGFSZSA-N 2 2 296.415 0.590 20 0 CCADLP C[NH+](C)CCOCCNC(=O)NCCCn1cc[nH+]c1 ZINC000471641112 390078035 /nfs/dbraw/zinc/07/80/35/390078035.db2.gz CGOVDHKBRHMVAQ-UHFFFAOYSA-N 2 2 283.376 0.151 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC000478962693 390081176 /nfs/dbraw/zinc/08/11/76/390081176.db2.gz UKKREGRNIXDQNK-IHRRRGAJSA-N 2 2 282.432 0.127 20 0 CCADLP Cc1nc(N(C)C)nc(N[C@@H](C)CC[NH+](C)C)[nH+]1 ZINC000488359360 390093141 /nfs/dbraw/zinc/09/31/41/390093141.db2.gz UUVPMMKEDZPQHX-VIFPVBQESA-N 2 2 252.366 0.420 20 0 CCADLP Cc1nc(N[C@@H](C)CC[NH+](C)C)nc(N(C)C)[nH+]1 ZINC000488359360 390093142 /nfs/dbraw/zinc/09/31/42/390093142.db2.gz UUVPMMKEDZPQHX-VIFPVBQESA-N 2 2 252.366 0.420 20 0 CCADLP CSC[C@H](O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000488602771 390095020 /nfs/dbraw/zinc/09/50/20/390095020.db2.gz XUMVUBISESUIKD-GFCCVEGCSA-N 2 2 262.419 0.099 20 0 CCADLP CSC[C@H](O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000488602771 390095021 /nfs/dbraw/zinc/09/50/21/390095021.db2.gz XUMVUBISESUIKD-GFCCVEGCSA-N 2 2 262.419 0.099 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC000489331124 390099272 /nfs/dbraw/zinc/09/92/72/390099272.db2.gz OENNVDOIWYNFGO-STQMWFEESA-N 2 2 269.389 0.116 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC000489331124 390099273 /nfs/dbraw/zinc/09/92/73/390099273.db2.gz OENNVDOIWYNFGO-STQMWFEESA-N 2 2 269.389 0.116 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC000489331124 390099274 /nfs/dbraw/zinc/09/92/74/390099274.db2.gz OENNVDOIWYNFGO-STQMWFEESA-N 2 2 269.389 0.116 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC000489331124 390099275 /nfs/dbraw/zinc/09/92/75/390099275.db2.gz OENNVDOIWYNFGO-STQMWFEESA-N 2 2 269.389 0.116 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC(C)(C)C[NH+](C)C ZINC000457740602 390049134 /nfs/dbraw/zinc/04/91/34/390049134.db2.gz ILKGTBGOKUAJRS-GFCCVEGCSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@H]1[C@@H](NC(=O)NCCc2cn(C)c[nH+]2)CCC[N@@H+]1C ZINC000458671401 390061458 /nfs/dbraw/zinc/06/14/58/390061458.db2.gz WWQRIPBPNJADGH-AAEUAGOBSA-N 2 2 279.388 0.745 20 0 CCADLP C[C@H]1[C@@H](NC(=O)NCCc2cn(C)c[nH+]2)CCC[N@H+]1C ZINC000458671401 390061459 /nfs/dbraw/zinc/06/14/59/390061459.db2.gz WWQRIPBPNJADGH-AAEUAGOBSA-N 2 2 279.388 0.745 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000493308923 390123022 /nfs/dbraw/zinc/12/30/22/390123022.db2.gz WUEBXWKTDBQUCN-SIDSAAMKSA-N 2 2 274.368 0.936 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000493308923 390123023 /nfs/dbraw/zinc/12/30/23/390123023.db2.gz WUEBXWKTDBQUCN-SIDSAAMKSA-N 2 2 274.368 0.936 20 0 CCADLP C[NH+](C)CCOC1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493427033 390125441 /nfs/dbraw/zinc/12/54/41/390125441.db2.gz VIOPPPISRNEQFM-ONEGZZNKSA-N 2 2 292.383 0.992 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)/C=C/c2[nH]cc[nH+]2)C[C@H](C)O1 ZINC000493449053 390125848 /nfs/dbraw/zinc/12/58/48/390125848.db2.gz HEIHSIMMHKYIHL-GHEOONOUSA-N 2 2 292.383 0.991 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)/C=C/c2[nH]cc[nH+]2)C[C@H](C)O1 ZINC000493449053 390125849 /nfs/dbraw/zinc/12/58/49/390125849.db2.gz HEIHSIMMHKYIHL-GHEOONOUSA-N 2 2 292.383 0.991 20 0 CCADLP C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)[C@@H](C)C[N@@H+]1CCO ZINC000493813559 390127847 /nfs/dbraw/zinc/12/78/47/390127847.db2.gz CYPMDFUDBADUNT-BKGLOODYSA-N 2 2 278.356 0.336 20 0 CCADLP C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)[C@@H](C)C[N@H+]1CCO ZINC000493813559 390127848 /nfs/dbraw/zinc/12/78/48/390127848.db2.gz CYPMDFUDBADUNT-BKGLOODYSA-N 2 2 278.356 0.336 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493861805 390130066 /nfs/dbraw/zinc/13/00/66/390130066.db2.gz XTZCPHVECDAKES-PLNGDYQASA-N 2 2 266.345 0.507 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493861805 390130068 /nfs/dbraw/zinc/13/00/68/390130068.db2.gz XTZCPHVECDAKES-PLNGDYQASA-N 2 2 266.345 0.507 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000578994831 390133056 /nfs/dbraw/zinc/13/30/56/390133056.db2.gz ZMRCZWXGDRZIPU-KBPBESRZSA-N 3 2 257.422 0.621 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000578994831 390133059 /nfs/dbraw/zinc/13/30/59/390133059.db2.gz ZMRCZWXGDRZIPU-KBPBESRZSA-N 3 2 257.422 0.621 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000578994831 390133062 /nfs/dbraw/zinc/13/30/62/390133062.db2.gz ZMRCZWXGDRZIPU-KBPBESRZSA-N 3 2 257.422 0.621 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000578994831 390133065 /nfs/dbraw/zinc/13/30/65/390133065.db2.gz ZMRCZWXGDRZIPU-KBPBESRZSA-N 3 2 257.422 0.621 20 0 CCADLP CCN(CCC[NH+](C)C)C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000579006612 390134260 /nfs/dbraw/zinc/13/42/60/390134260.db2.gz POHAUVXGJUAZQO-UHFFFAOYSA-N 2 2 295.387 0.168 20 0 CCADLP CCN(CCC[NH+](C)C)C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000579006612 390134263 /nfs/dbraw/zinc/13/42/63/390134263.db2.gz POHAUVXGJUAZQO-UHFFFAOYSA-N 2 2 295.387 0.168 20 0 CCADLP Cc1cc(C)n([C@H](C)CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])n1 ZINC000579010450 390135257 /nfs/dbraw/zinc/13/52/57/390135257.db2.gz PSERTDGJGDHHJT-KGLIPLIRSA-N 2 2 293.415 0.552 20 0 CCADLP Cc1cc(C)n([C@H](C)CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])n1 ZINC000579010450 390135259 /nfs/dbraw/zinc/13/52/59/390135259.db2.gz PSERTDGJGDHHJT-KGLIPLIRSA-N 2 2 293.415 0.552 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)NCc2cccnc2)C1 ZINC000535316785 390142795 /nfs/dbraw/zinc/14/27/95/390142795.db2.gz VPXSQLRAGRTIJL-AWEZNQCLSA-N 2 2 299.378 0.921 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)NCc2cccnc2)C1 ZINC000535316785 390142797 /nfs/dbraw/zinc/14/27/97/390142797.db2.gz VPXSQLRAGRTIJL-AWEZNQCLSA-N 2 2 299.378 0.921 20 0 CCADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cn(C)nn3)C2)CC1 ZINC000535586378 390145880 /nfs/dbraw/zinc/14/58/80/390145880.db2.gz IFLIWHWUIKUVKR-HNNXBMFYSA-N 2 2 292.431 0.415 20 0 CCADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cn(C)nn3)C2)CC1 ZINC000535586378 390145883 /nfs/dbraw/zinc/14/58/83/390145883.db2.gz IFLIWHWUIKUVKR-HNNXBMFYSA-N 2 2 292.431 0.415 20 0 CCADLP COC(=O)N[C@@H](C)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000494120721 390151439 /nfs/dbraw/zinc/15/14/39/390151439.db2.gz UWWHEXKTRPOKSX-VIFPVBQESA-N 2 2 289.295 0.950 20 0 CCADLP O=C(CC[C@@H]1CCC[NH2+]1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000494651116 390189505 /nfs/dbraw/zinc/18/95/05/390189505.db2.gz FTVWUXKTCMKAGP-LSDHHAIUSA-N 2 2 295.427 0.842 20 0 CCADLP Cn1ccc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)n1 ZINC000579353485 390165083 /nfs/dbraw/zinc/16/50/83/390165083.db2.gz DCBNEBHFCPUOFV-GFCCVEGCSA-N 2 2 264.373 0.607 20 0 CCADLP Cn1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)n1 ZINC000579353485 390165086 /nfs/dbraw/zinc/16/50/86/390165086.db2.gz DCBNEBHFCPUOFV-GFCCVEGCSA-N 2 2 264.373 0.607 20 0 CCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)c1[nH+]ccc2[nH]ccc21 ZINC000647871713 390201800 /nfs/dbraw/zinc/20/18/00/390201800.db2.gz KRKPZZGKESNZPJ-GFCCVEGCSA-N 2 2 290.367 0.692 20 0 CCADLP CCC(CC)C(=O)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000647877594 390204276 /nfs/dbraw/zinc/20/42/76/390204276.db2.gz WDEHXQNPXIMDIL-UHFFFAOYSA-N 2 2 296.459 0.472 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(c2nc[nH+]c3c2OCCN3)[C@H](C)C1 ZINC000647877965 390204517 /nfs/dbraw/zinc/20/45/17/390204517.db2.gz KJIRXUHXUDOESU-GHMZBOCLSA-N 2 2 293.371 0.172 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(c2nc[nH+]c3c2OCCN3)[C@H](C)C1 ZINC000647877965 390204518 /nfs/dbraw/zinc/20/45/18/390204518.db2.gz KJIRXUHXUDOESU-GHMZBOCLSA-N 2 2 293.371 0.172 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000579826966 390211123 /nfs/dbraw/zinc/21/11/23/390211123.db2.gz AJFLCRWZCIKHMI-VOAKCMCISA-N 2 2 260.378 0.081 20 0 CCADLP CC1([NH3+])CC[NH+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000647925510 390219054 /nfs/dbraw/zinc/21/90/54/390219054.db2.gz LZEGADCWDSRGNS-KBPBESRZSA-N 2 2 295.427 0.970 20 0 CCADLP COC[C@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000647931265 390221017 /nfs/dbraw/zinc/22/10/17/390221017.db2.gz WMJSSVFDXNTOOH-ZIAGYGMSSA-N 2 2 272.389 0.180 20 0 CCADLP COC[C@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000647931265 390221019 /nfs/dbraw/zinc/22/10/19/390221019.db2.gz WMJSSVFDXNTOOH-ZIAGYGMSSA-N 2 2 272.389 0.180 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)N(C)CCC[NH+](C)C ZINC000540516078 390221262 /nfs/dbraw/zinc/22/12/62/390221262.db2.gz MICYFLCWJLCFIH-LBPRGKRZSA-N 2 2 257.378 0.117 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)N(C)CCC[NH+](C)C ZINC000540516078 390221264 /nfs/dbraw/zinc/22/12/64/390221264.db2.gz MICYFLCWJLCFIH-LBPRGKRZSA-N 2 2 257.378 0.117 20 0 CCADLP CC(C)C(=O)NC1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000647958191 390227304 /nfs/dbraw/zinc/22/73/04/390227304.db2.gz FZRZMRQMNJHMIR-HNNXBMFYSA-N 2 2 299.459 0.924 20 0 CCADLP CC(C)C(=O)NC1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000647958191 390227309 /nfs/dbraw/zinc/22/73/09/390227309.db2.gz FZRZMRQMNJHMIR-HNNXBMFYSA-N 2 2 299.459 0.924 20 0 CCADLP C[N@H+](CCC[NH3+])CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000647849206 390191914 /nfs/dbraw/zinc/19/19/14/390191914.db2.gz LFYOIBNEPLZCSE-CYBMUJFWSA-N 2 2 277.368 0.907 20 0 CCADLP C[N@@H+](CCC[NH3+])CC(=O)N[C@@H]1CCOc2ccccc21 ZINC000647849206 390191918 /nfs/dbraw/zinc/19/19/18/390191918.db2.gz LFYOIBNEPLZCSE-CYBMUJFWSA-N 2 2 277.368 0.907 20 0 CCADLP C[C@H](CNC(=O)CC[C@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000494706330 390195516 /nfs/dbraw/zinc/19/55/16/390195516.db2.gz DUEMPHTUIYYFRH-CHWSQXEVSA-N 2 2 269.389 0.356 20 0 CCADLP C[C@H](CNC(=O)CC[C@@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000494706331 390195739 /nfs/dbraw/zinc/19/57/39/390195739.db2.gz DUEMPHTUIYYFRH-OLZOCXBDSA-N 2 2 269.389 0.356 20 0 CCADLP C[C@H]([NH3+])[C@H]1C[N@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000647865738 390198497 /nfs/dbraw/zinc/19/84/97/390198497.db2.gz RPLAOHMQTMHVBJ-GXTWGEPZSA-N 3 2 255.406 0.814 20 0 CCADLP C[C@H]([NH3+])[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000647865738 390198501 /nfs/dbraw/zinc/19/85/01/390198501.db2.gz RPLAOHMQTMHVBJ-GXTWGEPZSA-N 3 2 255.406 0.814 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000580317246 390237828 /nfs/dbraw/zinc/23/78/28/390237828.db2.gz RGRZRHRYUUNUAM-WCQYABFASA-N 2 2 272.352 0.782 20 0 CCADLP Cc1nccc(N2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)n1 ZINC000647989150 390239643 /nfs/dbraw/zinc/23/96/43/390239643.db2.gz PDUGUNRTHUHUPY-ZDUSSCGKSA-N 2 2 261.373 0.517 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)[C@H]2CCCO2)C[N@@H+]1C1CC1 ZINC000527756168 285364689 /nfs/dbraw/zinc/36/46/89/285364689.db2.gz DLZXYXIUZBGHMR-ZMJPVWNMSA-N 2 2 254.374 0.741 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)[C@H]2CCCO2)C[N@H+]1C1CC1 ZINC000527756168 285364691 /nfs/dbraw/zinc/36/46/91/285364691.db2.gz DLZXYXIUZBGHMR-ZMJPVWNMSA-N 2 2 254.374 0.741 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+]CCc2n[nH]c(C)n2)[C@@H](C)C1 ZINC000543740269 390290437 /nfs/dbraw/zinc/29/04/37/390290437.db2.gz LRSBNAAAEPRTLE-JQWIXIFHSA-N 2 2 251.378 0.976 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+]CCc2n[nH]c(C)n2)[C@@H](C)C1 ZINC000543740269 390290440 /nfs/dbraw/zinc/29/04/40/390290440.db2.gz LRSBNAAAEPRTLE-JQWIXIFHSA-N 2 2 251.378 0.976 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+]CCc2nnc(C)[nH]2)[C@@H](C)C1 ZINC000543740269 390290444 /nfs/dbraw/zinc/29/04/44/390290444.db2.gz LRSBNAAAEPRTLE-JQWIXIFHSA-N 2 2 251.378 0.976 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+]CCc2nnc(C)[nH]2)[C@@H](C)C1 ZINC000543740269 390290447 /nfs/dbraw/zinc/29/04/47/390290447.db2.gz LRSBNAAAEPRTLE-JQWIXIFHSA-N 2 2 251.378 0.976 20 0 CCADLP C[N@@H+]1C[C@H]2CCN(CCC[NH+]3CCOCC3)[C@H]2C1 ZINC000644730003 390296209 /nfs/dbraw/zinc/29/62/09/390296209.db2.gz OOPYBCNXQVWAOD-KGLIPLIRSA-N 2 2 253.390 0.345 20 0 CCADLP C[N@H+]1C[C@H]2CCN(CCC[NH+]3CCOCC3)[C@H]2C1 ZINC000644730003 390296212 /nfs/dbraw/zinc/29/62/12/390296212.db2.gz OOPYBCNXQVWAOD-KGLIPLIRSA-N 2 2 253.390 0.345 20 0 CCADLP CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](C[C@@H](C)[NH3+])C1 ZINC000647997627 390245265 /nfs/dbraw/zinc/24/52/65/390245265.db2.gz SZHNDYZSYCXIMM-APPZFPTMSA-N 2 2 253.268 0.334 20 0 CCADLP CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](C[C@@H](C)[NH3+])C1 ZINC000647997627 390245268 /nfs/dbraw/zinc/24/52/68/390245268.db2.gz SZHNDYZSYCXIMM-APPZFPTMSA-N 2 2 253.268 0.334 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000580835713 390248604 /nfs/dbraw/zinc/24/86/04/390248604.db2.gz LZAHGXZIIBUHPW-CHWSQXEVSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000580835713 390248606 /nfs/dbraw/zinc/24/86/06/390248606.db2.gz LZAHGXZIIBUHPW-CHWSQXEVSA-N 2 2 269.389 0.213 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCC2(F)CCC2)[C@@H](C[NH3+])C1 ZINC000582052256 390255037 /nfs/dbraw/zinc/25/50/37/390255037.db2.gz AOMIVEAEMWVPAA-NSHDSACASA-N 2 2 272.368 0.553 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCC2(F)CCC2)[C@@H](C[NH3+])C1 ZINC000582052256 390255039 /nfs/dbraw/zinc/25/50/39/390255039.db2.gz AOMIVEAEMWVPAA-NSHDSACASA-N 2 2 272.368 0.553 20 0 CCADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000648039253 390259487 /nfs/dbraw/zinc/25/94/87/390259487.db2.gz AUKOSTODXXVHIM-UONOGXRCSA-N 2 2 293.415 0.361 20 0 CCADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000648039253 390259490 /nfs/dbraw/zinc/25/94/90/390259490.db2.gz AUKOSTODXXVHIM-UONOGXRCSA-N 2 2 293.415 0.361 20 0 CCADLP CCOCC[C@H](O)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000644589381 390261489 /nfs/dbraw/zinc/26/14/89/390261489.db2.gz XBWRTEHRUNWBMJ-FPMFFAJLSA-N 2 2 256.390 0.846 20 0 CCADLP CCOCC[C@H](O)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000644589381 390261492 /nfs/dbraw/zinc/26/14/92/390261492.db2.gz XBWRTEHRUNWBMJ-FPMFFAJLSA-N 2 2 256.390 0.846 20 0 CCADLP CCO[C@H]1C[C@@]([NH3+])(c2nc(C[NH2+]C)no2)C1(C)C ZINC000582121562 390261806 /nfs/dbraw/zinc/26/18/06/390261806.db2.gz USEVMENLFHCBMK-QPUJVOFHSA-N 2 2 254.334 0.778 20 0 CCADLP C[C@H](C[NH2+]C[C@H]1CCCn2cc[nH+]c21)S(C)(=O)=O ZINC000644604301 390264652 /nfs/dbraw/zinc/26/46/52/390264652.db2.gz NUEBTQXNRGCFKY-GHMZBOCLSA-N 2 2 271.386 0.783 20 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/nfs/dbraw/zinc/27/50/83/390275083.db2.gz OGVHAJQCTYCUBQ-VHSXEESVSA-N 2 2 266.370 0.195 20 0 CCADLP CCOCC[C@@H](O)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000644650743 390277346 /nfs/dbraw/zinc/27/73/46/390277346.db2.gz DPYDSUDXAIBQGS-GHMZBOCLSA-N 2 2 253.346 0.644 20 0 CCADLP CCOCC[C@@H](O)C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000644650743 390277351 /nfs/dbraw/zinc/27/73/51/390277351.db2.gz DPYDSUDXAIBQGS-GHMZBOCLSA-N 2 2 253.346 0.644 20 0 CCADLP Cc1cc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)ncn1 ZINC000644675873 390284020 /nfs/dbraw/zinc/28/40/20/390284020.db2.gz BHQLLJQKSNMXJD-MRXNPFEDSA-N 2 2 289.427 0.997 20 0 CCADLP CSc1cccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])n1 ZINC000583800601 390312119 /nfs/dbraw/zinc/31/21/19/390312119.db2.gz PYLNTLLUWIMDHA-SNVBAGLBSA-N 2 2 295.412 0.910 20 0 CCADLP NC(=O)c1c[nH+]ccc1NCC[NH+]1CCSCC1 ZINC000545160060 390315832 /nfs/dbraw/zinc/31/58/32/390315832.db2.gz IHOJRHRYWJRWRD-UHFFFAOYSA-N 2 2 266.370 0.063 20 0 CCADLP [NH3+][C@H]1C[C@@H](C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000648158651 390319465 /nfs/dbraw/zinc/31/94/65/390319465.db2.gz NIEPVQSHKPXVQM-GRYCIOLGSA-N 2 2 260.341 0.514 20 0 CCADLP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)Cn1cc[nH+]c1 ZINC000584420008 390343111 /nfs/dbraw/zinc/34/31/11/390343111.db2.gz VUGBRVTWTWKWMI-STQMWFEESA-N 2 2 264.373 0.977 20 0 CCADLP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)Cn1cc[nH+]c1 ZINC000584420008 390343116 /nfs/dbraw/zinc/34/31/16/390343116.db2.gz VUGBRVTWTWKWMI-STQMWFEESA-N 2 2 264.373 0.977 20 0 CCADLP Cn1cc([C@H](CO)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000623474534 390401049 /nfs/dbraw/zinc/40/10/49/390401049.db2.gz FEHOHILYHHEBIQ-OLZOCXBDSA-N 2 2 266.389 0.916 20 0 CCADLP Cn1cc([C@H](CO)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000623474534 390401052 /nfs/dbraw/zinc/40/10/52/390401052.db2.gz FEHOHILYHHEBIQ-OLZOCXBDSA-N 2 2 266.389 0.916 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H](C)[NH+]1CCOCC1 ZINC000648771032 390405083 /nfs/dbraw/zinc/40/50/83/390405083.db2.gz ADENNFQSHAHPST-AAVRWANBSA-N 2 2 283.416 0.552 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H](C)[NH+]1CCOCC1 ZINC000648771032 390405086 /nfs/dbraw/zinc/40/50/86/390405086.db2.gz ADENNFQSHAHPST-AAVRWANBSA-N 2 2 283.416 0.552 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000547864307 390405769 /nfs/dbraw/zinc/40/57/69/390405769.db2.gz DQVWLHXNEQGHSM-GFCCVEGCSA-N 2 2 276.340 0.975 20 0 CCADLP [NH3+]CCOCC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000645304656 390406512 /nfs/dbraw/zinc/40/65/12/390406512.db2.gz ACKYOWZIQMAXJC-UHFFFAOYSA-N 2 2 282.731 0.579 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)Cc2c[nH+]cn2C)n1C ZINC000554502968 390429190 /nfs/dbraw/zinc/42/91/90/390429190.db2.gz PSJHLGOVQQKDCI-UHFFFAOYSA-N 2 2 276.344 0.079 20 0 CCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000643364453 390435233 /nfs/dbraw/zinc/43/52/33/390435233.db2.gz OKPCENUKRZUQKM-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000643364453 390435236 /nfs/dbraw/zinc/43/52/36/390435236.db2.gz OKPCENUKRZUQKM-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000645492787 390437839 /nfs/dbraw/zinc/43/78/39/390437839.db2.gz ZCEHSILLUHKYFG-CMPLNLGQSA-N 2 2 262.357 0.762 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)Nc1nc(N)[nH+]c2c1CCCC2 ZINC000645119177 390374252 /nfs/dbraw/zinc/37/42/52/390374252.db2.gz GRSPVSBNUUOJNR-SNVBAGLBSA-N 2 2 272.356 0.887 20 0 CCADLP OCC1(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CCCC1 ZINC000517024121 390488091 /nfs/dbraw/zinc/48/80/91/390488091.db2.gz GDCROWGYVGBGPF-KGLIPLIRSA-N 2 2 268.401 0.896 20 0 CCADLP CCO[C@@H]1COCC[C@@H]1[NH2+]C[C@H](O)C[N@H+](C)CC ZINC000565369996 390508107 /nfs/dbraw/zinc/50/81/07/390508107.db2.gz BCEUIZZNJGJYQI-RWMBFGLXSA-N 2 2 260.378 0.083 20 0 CCADLP CCO[C@@H]1COCC[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)CC ZINC000565369996 390508111 /nfs/dbraw/zinc/50/81/11/390508111.db2.gz 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O=C1C[C@H]([N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C(=O)N1 ZINC000520604864 390584884 /nfs/dbraw/zinc/58/48/84/390584884.db2.gz ZZSKJOOWSIMXLH-RTXFEEFZSA-N 2 2 277.368 0.350 20 0 CCADLP O=C1C[C@H]([NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C(=O)N1 ZINC000520604864 390584887 /nfs/dbraw/zinc/58/48/87/390584887.db2.gz ZZSKJOOWSIMXLH-RTXFEEFZSA-N 2 2 277.368 0.350 20 0 CCADLP O=C1C[C@H]([NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C(=O)N1 ZINC000520604864 390584890 /nfs/dbraw/zinc/58/48/90/390584890.db2.gz ZZSKJOOWSIMXLH-RTXFEEFZSA-N 2 2 277.368 0.350 20 0 CCADLP CC(=O)N1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000519643754 390522437 /nfs/dbraw/zinc/52/24/37/390522437.db2.gz FZHWLHBRTUZGIU-UHFFFAOYSA-N 2 2 250.346 0.517 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[N@H+]1C ZINC000649215666 390525228 /nfs/dbraw/zinc/52/52/28/390525228.db2.gz WENAIBSOPAPVLP-FRRDWIJNSA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[N@@H+]1C ZINC000649215666 390525236 /nfs/dbraw/zinc/52/52/36/390525236.db2.gz WENAIBSOPAPVLP-FRRDWIJNSA-N 2 2 276.384 0.997 20 0 CCADLP [NH3+][C@@H](C(=O)N1CC[NH+](C2CCC2)CC1)c1cscn1 ZINC000565595264 390527377 /nfs/dbraw/zinc/52/73/77/390527377.db2.gz BCFABSRDOYHXOX-GFCCVEGCSA-N 2 2 280.397 0.840 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@H]1[NH2+]CC1(C)C)[NH+]1CCOCC1 ZINC000645937278 390535947 /nfs/dbraw/zinc/53/59/47/390535947.db2.gz GXSBIWVDIHJTJC-QJPTWQEYSA-N 2 2 269.389 0.210 20 0 CCADLP O=C(Nc1cc[nH+]cc1O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000645952788 390545461 /nfs/dbraw/zinc/54/54/61/390545461.db2.gz UPGNIEMGCXBOAD-WDEREUQCSA-N 2 2 261.325 0.783 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)COC1(C)C[NH2+]C1 ZINC000649292984 390552529 /nfs/dbraw/zinc/55/25/29/390552529.db2.gz RWZNIGVTILTGCJ-UHFFFAOYSA-N 2 2 278.356 0.142 20 0 CCADLP CC1(OCC(=O)NCCc2cn3c([nH+]2)CCCC3)C[NH2+]C1 ZINC000649298628 390559235 /nfs/dbraw/zinc/55/92/35/390559235.db2.gz OJIRNCQXHMHIIG-UHFFFAOYSA-N 2 2 292.383 0.257 20 0 CCADLP CC(C)([NH3+])CCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000649303467 390562584 /nfs/dbraw/zinc/56/25/84/390562584.db2.gz AKWGPVWRYUTQJP-ZDUSSCGKSA-N 2 2 283.416 0.827 20 0 CCADLP CC1(C)C[NH2+][C@@H]1C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000649303584 390563540 /nfs/dbraw/zinc/56/35/40/390563540.db2.gz IFCOQUGQFGSZLV-QWHCGFSZSA-N 2 2 281.400 0.308 20 0 CCADLP CC1(C)C[NH2+][C@@H]1C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000649303582 390564209 /nfs/dbraw/zinc/56/42/09/390564209.db2.gz IFCOQUGQFGSZLV-CHWSQXEVSA-N 2 2 281.400 0.308 20 0 CCADLP CCC[C@@]1(CO)CC[N@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000520425110 390575126 /nfs/dbraw/zinc/57/51/26/390575126.db2.gz KWISZSJJBRNOKX-HUUCEWRRSA-N 2 2 288.432 0.410 20 0 CCADLP CCC[C@@]1(CO)CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000520425110 390575127 /nfs/dbraw/zinc/57/51/27/390575127.db2.gz KWISZSJJBRNOKX-HUUCEWRRSA-N 2 2 288.432 0.410 20 0 CCADLP CCC[C@@]1(CO)CC[NH+](C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000520425110 390575129 /nfs/dbraw/zinc/57/51/29/390575129.db2.gz KWISZSJJBRNOKX-HUUCEWRRSA-N 2 2 288.432 0.410 20 0 CCADLP CCC[C@@]1(CO)CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000520425110 390575130 /nfs/dbraw/zinc/57/51/30/390575130.db2.gz KWISZSJJBRNOKX-HUUCEWRRSA-N 2 2 288.432 0.410 20 0 CCADLP O=C(C[NH2+]C1CC1)NCCNc1ccc2ccccc2[nH+]1 ZINC000646033615 390577711 /nfs/dbraw/zinc/57/77/11/390577711.db2.gz MIVWKFKMASUTEV-UHFFFAOYSA-N 2 2 284.363 0.937 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)CCn2cc[nH+]c2)CCO1 ZINC000523748190 390642618 /nfs/dbraw/zinc/64/26/18/390642618.db2.gz KZOGGXILMXMMGD-LBPRGKRZSA-N 2 2 266.345 0.110 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)CCn2cc[nH+]c2)CCO1 ZINC000523748190 390642620 /nfs/dbraw/zinc/64/26/20/390642620.db2.gz KZOGGXILMXMMGD-LBPRGKRZSA-N 2 2 266.345 0.110 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000566792205 390647689 /nfs/dbraw/zinc/64/76/89/390647689.db2.gz NLWZBEARYDRHBO-QVHKTLOISA-N 2 2 286.416 0.614 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000566792205 390647691 /nfs/dbraw/zinc/64/76/91/390647691.db2.gz NLWZBEARYDRHBO-QVHKTLOISA-N 2 2 286.416 0.614 20 0 CCADLP CCNC(=O)[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)CC)C(C)C ZINC000566804454 390649489 /nfs/dbraw/zinc/64/94/89/390649489.db2.gz DNWASWVSSZCVKD-NEPJUHHUSA-N 2 2 259.394 0.049 20 0 CCADLP CCNC(=O)[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)C(C)C ZINC000566804454 390649492 /nfs/dbraw/zinc/64/94/92/390649492.db2.gz DNWASWVSSZCVKD-NEPJUHHUSA-N 2 2 259.394 0.049 20 0 CCADLP O=C(NCC[NH2+]C1CC1)C1CC[NH+](CC(F)F)CC1 ZINC000644084303 390650813 /nfs/dbraw/zinc/65/08/13/390650813.db2.gz VSTPCWGUCLOPGP-UHFFFAOYSA-N 2 2 275.343 0.832 20 0 CCADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1cccnc1N)CCO2 ZINC000646106646 390599299 /nfs/dbraw/zinc/59/92/99/390599299.db2.gz JBWKEVOPOCUYLK-UHFFFAOYSA-N 2 2 276.384 0.960 20 0 CCADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccnc1N)CCO2 ZINC000646106646 390599304 /nfs/dbraw/zinc/59/93/04/390599304.db2.gz JBWKEVOPOCUYLK-UHFFFAOYSA-N 2 2 276.384 0.960 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646105642 390599389 /nfs/dbraw/zinc/59/93/89/390599389.db2.gz ATWRIFHZOFLQJY-UHFFFAOYSA-N 3 2 278.400 0.988 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646105642 390599392 /nfs/dbraw/zinc/59/93/92/390599392.db2.gz ATWRIFHZOFLQJY-UHFFFAOYSA-N 3 2 278.400 0.988 20 0 CCADLP C[C@@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)[NH+]1CCOCC1 ZINC000521268432 390602818 /nfs/dbraw/zinc/60/28/18/390602818.db2.gz HLNSGDPDPWLGOT-ZNMIVQPWSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H](C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)[NH+]1CCOCC1 ZINC000521268432 390602821 /nfs/dbraw/zinc/60/28/21/390602821.db2.gz HLNSGDPDPWLGOT-ZNMIVQPWSA-N 2 2 295.427 0.650 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000566425497 390603359 /nfs/dbraw/zinc/60/33/59/390603359.db2.gz DNIOVURRFQOLEH-OAHLLOKOSA-N 2 2 278.400 0.759 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000566425497 390603361 /nfs/dbraw/zinc/60/33/61/390603361.db2.gz DNIOVURRFQOLEH-OAHLLOKOSA-N 2 2 278.400 0.759 20 0 CCADLP Cc1[nH+]c2cc(NC(=O)[C@H]3C[NH2+]CCO3)ccc2n1C ZINC000646125237 390611905 /nfs/dbraw/zinc/61/19/05/390611905.db2.gz ANGLCDRHDORNIE-CYBMUJFWSA-N 2 2 274.324 0.809 20 0 CCADLP Cc1cccn2cc(CCNC(=O)[C@@H](C)C[NH3+])[nH+]c12 ZINC000646138161 390616526 /nfs/dbraw/zinc/61/65/26/390616526.db2.gz DJBFOLOADYOCTB-NSHDSACASA-N 2 2 260.341 0.896 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCc2ccccc2[C@@H]1CO ZINC000567565621 390703974 /nfs/dbraw/zinc/70/39/74/390703974.db2.gz NVJPCIMPGXTMIF-HOCLYGCPSA-N 2 2 278.396 0.891 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCc2ccccc2[C@@H]1CO ZINC000567565621 390703975 /nfs/dbraw/zinc/70/39/75/390703975.db2.gz NVJPCIMPGXTMIF-HOCLYGCPSA-N 2 2 278.396 0.891 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000567565621 390703976 /nfs/dbraw/zinc/70/39/76/390703976.db2.gz NVJPCIMPGXTMIF-HOCLYGCPSA-N 2 2 278.396 0.891 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCc2ccccc2[C@@H]1CO ZINC000567565621 390703977 /nfs/dbraw/zinc/70/39/77/390703977.db2.gz NVJPCIMPGXTMIF-HOCLYGCPSA-N 2 2 278.396 0.891 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]CCc1cn2c([nH+]1)CCCC2)C1CC1 ZINC000567605443 390705799 /nfs/dbraw/zinc/70/57/99/390705799.db2.gz TWAZHKOUDVXBRX-HNNXBMFYSA-N 3 2 292.427 0.807 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]CCc1cn2c([nH+]1)CCCC2)C1CC1 ZINC000567605443 390705800 /nfs/dbraw/zinc/70/58/00/390705800.db2.gz TWAZHKOUDVXBRX-HNNXBMFYSA-N 3 2 292.427 0.807 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)NC(=O)Cc1[nH]c[nH+]c1C ZINC000570823838 390720200 /nfs/dbraw/zinc/72/02/00/390720200.db2.gz MLIHSQUGKQXTGQ-LBPRGKRZSA-N 2 2 282.388 0.470 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)NC(=O)Cc1[nH+]c[nH]c1C ZINC000570823838 390720202 /nfs/dbraw/zinc/72/02/02/390720202.db2.gz MLIHSQUGKQXTGQ-LBPRGKRZSA-N 2 2 282.388 0.470 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](CO)c1ccc(OC)cc1 ZINC000570906795 390723494 /nfs/dbraw/zinc/72/34/94/390723494.db2.gz BRHYDNZPRZXYNX-HOCLYGCPSA-N 2 2 296.411 0.973 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](CO)c1ccc(OC)cc1 ZINC000570906795 390723495 /nfs/dbraw/zinc/72/34/95/390723495.db2.gz BRHYDNZPRZXYNX-HOCLYGCPSA-N 2 2 296.411 0.973 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](CO)c1ccc(OC)cc1 ZINC000570906795 390723496 /nfs/dbraw/zinc/72/34/96/390723496.db2.gz BRHYDNZPRZXYNX-HOCLYGCPSA-N 2 2 296.411 0.973 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](CO)c1ccc(OC)cc1 ZINC000570906795 390723497 /nfs/dbraw/zinc/72/34/97/390723497.db2.gz BRHYDNZPRZXYNX-HOCLYGCPSA-N 2 2 296.411 0.973 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000567063417 390669991 /nfs/dbraw/zinc/66/99/91/390669991.db2.gz XLOUKSWWJPGPGJ-VIFPVBQESA-N 2 2 275.312 0.126 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000567073708 390670305 /nfs/dbraw/zinc/67/03/05/390670305.db2.gz JGOMGWWFGKEYOU-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP CCC[C@H](C)[C@@H](CO)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000571331639 390731150 /nfs/dbraw/zinc/73/11/50/390731150.db2.gz REBXJHAJAQTKMO-QWHCGFSZSA-N 2 2 271.405 0.147 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](n2cccn2)C1 ZINC000567246740 390683597 /nfs/dbraw/zinc/68/35/97/390683597.db2.gz TYALDYPPXBYMOC-KGLIPLIRSA-N 2 2 282.388 0.069 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](n2cccn2)C1 ZINC000567246740 390683599 /nfs/dbraw/zinc/68/35/99/390683599.db2.gz TYALDYPPXBYMOC-KGLIPLIRSA-N 2 2 282.388 0.069 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000567246740 390683600 /nfs/dbraw/zinc/68/36/00/390683600.db2.gz TYALDYPPXBYMOC-KGLIPLIRSA-N 2 2 282.388 0.069 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)C[NH+]1CC(C)(C)C1)C1CC1 ZINC000571342416 390731808 /nfs/dbraw/zinc/73/18/08/390731808.db2.gz FHMJCMUACZGOAC-LBPRGKRZSA-N 2 2 253.390 0.785 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000646553917 390692939 /nfs/dbraw/zinc/69/29/39/390692939.db2.gz IZTZIEPGTAPXIM-KOLCDFICSA-N 2 2 254.334 0.587 20 0 CCADLP C[C@H](c1nnnn1C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000567398600 390697532 /nfs/dbraw/zinc/69/75/32/390697532.db2.gz HNYDMGHZIQPTKY-NXEZZACHSA-N 2 2 261.333 0.494 20 0 CCADLP C[C@H](c1nnnn1C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000567398600 390697535 /nfs/dbraw/zinc/69/75/35/390697535.db2.gz HNYDMGHZIQPTKY-NXEZZACHSA-N 2 2 261.333 0.494 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C[C@H]2CCCC[C@H]2O)C1 ZINC000571810551 390754394 /nfs/dbraw/zinc/75/43/94/390754394.db2.gz DNEUXVKUOZIIKS-RBSFLKMASA-N 2 2 295.427 0.434 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](C[C@H]2CCCC[C@H]2O)C1 ZINC000571810551 390754395 /nfs/dbraw/zinc/75/43/95/390754395.db2.gz DNEUXVKUOZIIKS-RBSFLKMASA-N 2 2 295.427 0.434 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000571911292 390758861 /nfs/dbraw/zinc/75/88/61/390758861.db2.gz AUNNZIYVLNVCOC-CMPLNLGQSA-N 2 2 258.325 0.949 20 0 CCADLP COc1ccc(F)c(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000571982217 390761934 /nfs/dbraw/zinc/76/19/34/390761934.db2.gz XMUWWSXHOPAESF-SNVBAGLBSA-N 2 2 296.346 0.941 20 0 CCADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCCCn1cc[nH+]c1 ZINC000572034089 390764774 /nfs/dbraw/zinc/76/47/74/390764774.db2.gz XPINDODBUJJZRJ-GHMZBOCLSA-N 2 2 253.350 0.698 20 0 CCADLP CNC(=O)CCC[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528726198 390771396 /nfs/dbraw/zinc/77/13/96/390771396.db2.gz ANQCZAIPIJAGLA-UHFFFAOYSA-N 2 2 283.416 0.699 20 0 CCADLP CC[N@@H+](CCNC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+])C(C)C ZINC000572380314 390781007 /nfs/dbraw/zinc/78/10/07/390781007.db2.gz VHRIAUFFJRFKSY-ZDUSSCGKSA-N 3 2 285.436 0.001 20 0 CCADLP CC[NH+](CCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C(C)C ZINC000572380314 390781009 /nfs/dbraw/zinc/78/10/09/390781009.db2.gz VHRIAUFFJRFKSY-ZDUSSCGKSA-N 3 2 285.436 0.001 20 0 CCADLP CC[NH+](CCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C(C)C ZINC000572380314 390781010 /nfs/dbraw/zinc/78/10/10/390781010.db2.gz VHRIAUFFJRFKSY-ZDUSSCGKSA-N 3 2 285.436 0.001 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000528888763 390782598 /nfs/dbraw/zinc/78/25/98/390782598.db2.gz GBVNQMXVIPNRHX-CYBMUJFWSA-N 2 2 285.351 0.982 20 0 CCADLP CC1(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000572576546 390790021 /nfs/dbraw/zinc/79/00/21/390790021.db2.gz STCPELVDEGKNTO-ZDUSSCGKSA-N 2 2 281.400 0.309 20 0 CCADLP COc1c(N)[nH+]cnc1N(C)CC[N@H+](C)C1CC1 ZINC000572662360 390795840 /nfs/dbraw/zinc/79/58/40/390795840.db2.gz JLABOZCMNNQNEV-UHFFFAOYSA-N 2 2 251.334 0.598 20 0 CCADLP COc1c(N)[nH+]cnc1N(C)CC[N@@H+](C)C1CC1 ZINC000572662360 390795844 /nfs/dbraw/zinc/79/58/44/390795844.db2.gz JLABOZCMNNQNEV-UHFFFAOYSA-N 2 2 251.334 0.598 20 0 CCADLP CNC(=O)C[NH+]1CCC(Nc2nc(C)[nH+]cc2C)CC1 ZINC000572662842 390796095 /nfs/dbraw/zinc/79/60/95/390796095.db2.gz XJBSFQOWVDFMCQ-UHFFFAOYSA-N 2 2 277.372 0.716 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000529189827 390797473 /nfs/dbraw/zinc/79/74/73/390797473.db2.gz KYXQFNAAHAYKFR-QWHCGFSZSA-N 2 2 280.347 0.836 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2CN(c3[nH]c4ccccc4[nH+]3)CCN2C1=O ZINC000572855723 390807700 /nfs/dbraw/zinc/80/77/00/390807700.db2.gz KHPZWLAZVGTBNQ-NXEZZACHSA-N 2 2 271.324 0.311 20 0 CCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000529301892 390803533 /nfs/dbraw/zinc/80/35/33/390803533.db2.gz JMDWFOXPTJYLCS-UONOGXRCSA-N 2 2 298.431 0.347 20 0 CCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000529301892 390803535 /nfs/dbraw/zinc/80/35/35/390803535.db2.gz JMDWFOXPTJYLCS-UONOGXRCSA-N 2 2 298.431 0.347 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@H](C)CN2CCOCC2)n1C ZINC000571419209 390734946 /nfs/dbraw/zinc/73/49/46/390734946.db2.gz SSDBQYOEAKDYGQ-LLVKDONJSA-N 2 2 252.362 0.539 20 0 CCADLP CN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)[C@@H]1CC[NH2+]C1 ZINC000571558524 390741637 /nfs/dbraw/zinc/74/16/37/390741637.db2.gz ZIEJOEGRSABUCR-GFCCVEGCSA-N 2 2 271.324 0.701 20 0 CCADLP C[C@H](C[NH2+]CCc1cn2c([nH+]1)CCCC2)S(C)(=O)=O ZINC000571634343 390745399 /nfs/dbraw/zinc/74/53/99/390745399.db2.gz OKORUWAAWHBAET-LLVKDONJSA-N 2 2 285.413 0.785 20 0 CCADLP CSCCCCCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000578121766 390865391 /nfs/dbraw/zinc/86/53/91/390865391.db2.gz LVGCZGAHJNSKNW-LBPRGKRZSA-N 2 2 288.461 0.804 20 0 CCADLP CSCCCCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000578121766 390865392 /nfs/dbraw/zinc/86/53/92/390865392.db2.gz LVGCZGAHJNSKNW-LBPRGKRZSA-N 2 2 288.461 0.804 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]2CC23CCCC3)[C@@H](C[NH3+])C1 ZINC000578235924 390872328 /nfs/dbraw/zinc/87/23/28/390872328.db2.gz JOLIKJFIQTYVEE-NWDGAFQWSA-N 2 2 251.374 0.668 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529329317 390809966 /nfs/dbraw/zinc/80/99/66/390809966.db2.gz XUWJIEBGDZTKFT-NSHDSACASA-N 2 2 277.372 0.987 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cnc2ccccn12 ZINC000647486143 390823341 /nfs/dbraw/zinc/82/33/41/390823341.db2.gz TUYOCHLHEGQDTJ-UHFFFAOYSA-N 2 2 287.367 0.198 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cnc2ccccn12 ZINC000647486143 390823344 /nfs/dbraw/zinc/82/33/44/390823344.db2.gz TUYOCHLHEGQDTJ-UHFFFAOYSA-N 2 2 287.367 0.198 20 0 CCADLP Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])c(C)[nH+]1 ZINC000647494524 390824410 /nfs/dbraw/zinc/82/44/10/390824410.db2.gz ZBKJJNXGYJDFBW-SCZZXKLOSA-N 2 2 278.356 0.879 20 0 CCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000575300185 390837460 /nfs/dbraw/zinc/83/74/60/390837460.db2.gz FBLWCCIAHCQZMF-UWVGGRQHSA-N 2 2 295.387 0.481 20 0 CCADLP C[C@H]1C[NH2+]C[C@@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)C1 ZINC000647550841 390839859 /nfs/dbraw/zinc/83/98/59/390839859.db2.gz KUFXJEMYLSDUDT-ZBFHGGJFSA-N 3 2 282.476 0.848 20 0 CCADLP C[C@H]1C[NH2+]C[C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)C1 ZINC000647550841 390839861 /nfs/dbraw/zinc/83/98/61/390839861.db2.gz KUFXJEMYLSDUDT-ZBFHGGJFSA-N 3 2 282.476 0.848 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000578436752 390883659 /nfs/dbraw/zinc/88/36/59/390883659.db2.gz DHRJANMANPVWLU-WCQYABFASA-N 2 2 262.357 0.813 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000578436752 390883660 /nfs/dbraw/zinc/88/36/60/390883660.db2.gz DHRJANMANPVWLU-WCQYABFASA-N 2 2 262.357 0.813 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)N2CCCC2)C1 ZINC000533865726 390886695 /nfs/dbraw/zinc/88/66/95/390886695.db2.gz YFJKBFHBTATQDT-LBPRGKRZSA-N 2 2 262.357 0.832 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000533865726 390886697 /nfs/dbraw/zinc/88/66/97/390886697.db2.gz YFJKBFHBTATQDT-LBPRGKRZSA-N 2 2 262.357 0.832 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CCNS(C)(=O)=O)C[C@H]1C ZINC000407949914 285396093 /nfs/dbraw/zinc/39/60/93/285396093.db2.gz WLYDNXNFCZGJOW-NEPJUHHUSA-N 2 2 277.434 0.340 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CCNS(C)(=O)=O)C[C@H]1C ZINC000407949914 285396094 /nfs/dbraw/zinc/39/60/94/285396094.db2.gz WLYDNXNFCZGJOW-NEPJUHHUSA-N 2 2 277.434 0.340 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CCNS(C)(=O)=O)C[C@H]1C ZINC000407949914 285396095 /nfs/dbraw/zinc/39/60/95/285396095.db2.gz WLYDNXNFCZGJOW-NEPJUHHUSA-N 2 2 277.434 0.340 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CCNS(C)(=O)=O)C[C@H]1C ZINC000407949914 285396096 /nfs/dbraw/zinc/39/60/96/285396096.db2.gz WLYDNXNFCZGJOW-NEPJUHHUSA-N 2 2 277.434 0.340 20 0 CCADLP Cc1cnn(CC[N@@H+](C)C2CC[NH+](CCO)CC2)c1 ZINC000341892421 130135215 /nfs/dbraw/zinc/13/52/15/130135215.db2.gz PUEAVMOGSTWWKA-UHFFFAOYSA-N 2 2 266.389 0.580 20 0 CCADLP Cc1cnn(CC[N@H+](C)C2CC[NH+](CCO)CC2)c1 ZINC000341892421 130135217 /nfs/dbraw/zinc/13/52/17/130135217.db2.gz PUEAVMOGSTWWKA-UHFFFAOYSA-N 2 2 266.389 0.580 20 0 CCADLP C[C@H]1[C@H](NC(=O)NCC[NH+]2CCOCC2)CCC[N@@H+]1C ZINC000342209793 130385115 /nfs/dbraw/zinc/38/51/15/130385115.db2.gz WTEPKPVBIRGRRL-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H]1[C@H](NC(=O)NCC[NH+]2CCOCC2)CCC[N@H+]1C ZINC000342209793 130385116 /nfs/dbraw/zinc/38/51/16/130385116.db2.gz WTEPKPVBIRGRRL-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000342426462 288408807 /nfs/dbraw/zinc/40/88/07/288408807.db2.gz ZMTREZCVXFLXPL-PWSUYJOCSA-N 2 2 283.397 0.670 20 0 CCADLP COc1ncncc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657751455 413057649 /nfs/dbraw/zinc/05/76/49/413057649.db2.gz JREMAMBYZBWAKN-AWEZNQCLSA-N 2 2 292.383 0.828 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H](C)Cn2cncn2)C1 ZINC000657823755 413063816 /nfs/dbraw/zinc/06/38/16/413063816.db2.gz AZVSZCQGYKYBLX-UONOGXRCSA-N 2 2 281.404 0.613 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H](C)Cn2cncn2)C1 ZINC000657823755 413063819 /nfs/dbraw/zinc/06/38/19/413063819.db2.gz AZVSZCQGYKYBLX-UONOGXRCSA-N 2 2 281.404 0.613 20 0 CCADLP CSC[C@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000575123666 335069482 /nfs/dbraw/zinc/06/94/82/335069482.db2.gz RWCLGYDPSMDGOD-NWDGAFQWSA-N 2 2 262.419 0.147 20 0 CCADLP CSC[C@H](O)C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000575123666 335069484 /nfs/dbraw/zinc/06/94/84/335069484.db2.gz RWCLGYDPSMDGOD-NWDGAFQWSA-N 2 2 262.419 0.147 20 0 CCADLP C[C@H](CF)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000685473327 545823244 /nfs/dbraw/zinc/82/32/44/545823244.db2.gz GMLLYWZOOPESGQ-CYBMUJFWSA-N 2 2 273.396 0.731 20 0 CCADLP C[C@@H](Cn1cncn1)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000658025736 413089337 /nfs/dbraw/zinc/08/93/37/413089337.db2.gz KPOCLEVLONIFDM-QWHCGFSZSA-N 2 2 267.377 0.103 20 0 CCADLP C[C@@H](Cn1cncn1)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000658025736 413089341 /nfs/dbraw/zinc/08/93/41/413089341.db2.gz KPOCLEVLONIFDM-QWHCGFSZSA-N 2 2 267.377 0.103 20 0 CCADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1(CO)CC1 ZINC000658155022 413108325 /nfs/dbraw/zinc/10/83/25/413108325.db2.gz KGVVWVVSCHKBHA-OCCSQVGLSA-N 2 2 268.401 0.990 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918156 397391669 /nfs/dbraw/zinc/39/16/69/397391669.db2.gz FPGPDCLCKYVMGZ-KKUMJFAQSA-N 2 2 297.443 0.992 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918156 397391674 /nfs/dbraw/zinc/39/16/74/397391674.db2.gz FPGPDCLCKYVMGZ-KKUMJFAQSA-N 2 2 297.443 0.992 20 0 CCADLP Cc1nn(C)c(C)c1C[NH+]1CCN(CCOCC[NH3+])CC1 ZINC000357087038 144059131 /nfs/dbraw/zinc/05/91/31/144059131.db2.gz VPRCZBQIIWHWLH-UHFFFAOYSA-N 2 2 295.431 0.130 20 0 CCADLP c1c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)nnn1Cc1cccnc1 ZINC000357122671 144062965 /nfs/dbraw/zinc/06/29/65/144062965.db2.gz QWAHFRDDYBCBDB-CABCVRRESA-N 2 2 298.394 0.763 20 0 CCADLP c1c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)nnn1Cc1cccnc1 ZINC000357122671 144062966 /nfs/dbraw/zinc/06/29/66/144062966.db2.gz QWAHFRDDYBCBDB-CABCVRRESA-N 2 2 298.394 0.763 20 0 CCADLP O=C(C[C@H]1COCC[NH2+]1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000357234614 144071041 /nfs/dbraw/zinc/07/10/41/144071041.db2.gz CAXAKTNMBQTRMT-LBPRGKRZSA-N 2 2 278.356 0.494 20 0 CCADLP O=C(C[C@H]1COCC[NH2+]1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000357234614 144071043 /nfs/dbraw/zinc/07/10/43/144071043.db2.gz CAXAKTNMBQTRMT-LBPRGKRZSA-N 2 2 278.356 0.494 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCCN(C)S(=O)(=O)CC)C1 ZINC000357999698 144141434 /nfs/dbraw/zinc/14/14/34/144141434.db2.gz ANCPAIFYWSSDHJ-CHWSQXEVSA-N 2 2 291.461 0.588 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCCN(C)S(=O)(=O)CC)C1 ZINC000357999698 144141435 /nfs/dbraw/zinc/14/14/35/144141435.db2.gz ANCPAIFYWSSDHJ-CHWSQXEVSA-N 2 2 291.461 0.588 20 0 CCADLP COCC(=O)N1CCC([NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000358043931 144145003 /nfs/dbraw/zinc/14/50/03/144145003.db2.gz XDCMKFKBOJUFBR-WFASDCNBSA-N 2 2 295.427 0.696 20 0 CCADLP COCC(=O)N1CCC([NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000358043931 144145005 /nfs/dbraw/zinc/14/50/05/144145005.db2.gz XDCMKFKBOJUFBR-WFASDCNBSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc(C[NH3+])cc1 ZINC000358105124 144152159 /nfs/dbraw/zinc/15/21/59/144152159.db2.gz GUUWQYBXPBIORT-GFCCVEGCSA-N 2 2 277.368 0.596 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc(C[NH3+])cc1 ZINC000358105124 144152160 /nfs/dbraw/zinc/15/21/60/144152160.db2.gz GUUWQYBXPBIORT-GFCCVEGCSA-N 2 2 277.368 0.596 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CC[NH2+]1 ZINC000358701799 144174257 /nfs/dbraw/zinc/17/42/57/144174257.db2.gz YSCDRTFALANXGF-OLZOCXBDSA-N 2 2 291.399 0.442 20 0 CCADLP C[C@H](C(=O)N1C[C@H](C)[NH+](C)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000358727406 144176721 /nfs/dbraw/zinc/17/67/21/144176721.db2.gz RLFNEJAPWGMQCE-MELADBBJSA-N 2 2 282.432 0.173 20 0 CCADLP [NH3+]C[C@@H]1CN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CCO1 ZINC000368380433 144221504 /nfs/dbraw/zinc/22/15/04/144221504.db2.gz MQJNOXJRIRAIMI-CQSZACIVSA-N 2 2 286.335 0.672 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](OCC3CC3)C2)CC1 ZINC000368790664 144244307 /nfs/dbraw/zinc/24/43/07/144244307.db2.gz IQDZPBYWKAYAOX-HNNXBMFYSA-N 2 2 295.427 0.651 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](OCC3CC3)C2)CC1 ZINC000368790664 144244309 /nfs/dbraw/zinc/24/43/09/144244309.db2.gz IQDZPBYWKAYAOX-HNNXBMFYSA-N 2 2 295.427 0.651 20 0 CCADLP CC(=O)NC1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000381851254 397489548 /nfs/dbraw/zinc/48/95/48/397489548.db2.gz LGHCVZMDALDSDF-AWEZNQCLSA-N 2 2 271.405 0.288 20 0 CCADLP CC(=O)NC1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000381851254 397489552 /nfs/dbraw/zinc/48/95/52/397489552.db2.gz LGHCVZMDALDSDF-AWEZNQCLSA-N 2 2 271.405 0.288 20 0 CCADLP C[N@@H+](CC(=O)NCc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000382747777 397491721 /nfs/dbraw/zinc/49/17/21/397491721.db2.gz ASOSIKFKBOYYOR-CQSZACIVSA-N 2 2 261.369 0.844 20 0 CCADLP C[N@H+](CC(=O)NCc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000382747777 397491725 /nfs/dbraw/zinc/49/17/25/397491725.db2.gz ASOSIKFKBOYYOR-CQSZACIVSA-N 2 2 261.369 0.844 20 0 CCADLP C[N@@H+]1CCCC12CCN(C[C@@H](O)C[NH+]1CCOCC1)CC2 ZINC000371691867 144341078 /nfs/dbraw/zinc/34/10/78/144341078.db2.gz DMJHFDQOMZBRRP-OAHLLOKOSA-N 2 2 297.443 0.240 20 0 CCADLP C[N@H+]1CCCC12CCN(C[C@@H](O)C[NH+]1CCOCC1)CC2 ZINC000371691867 144341079 /nfs/dbraw/zinc/34/10/79/144341079.db2.gz DMJHFDQOMZBRRP-OAHLLOKOSA-N 2 2 297.443 0.240 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)Cn1cc[nH+]c1 ZINC000372425340 144366849 /nfs/dbraw/zinc/36/68/49/144366849.db2.gz HZIIJIYKNXDDAK-MBNYWOFBSA-N 2 2 262.357 0.635 20 0 CCADLP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000372746584 144379626 /nfs/dbraw/zinc/37/96/26/144379626.db2.gz CLXIXSOBGAPHRD-CHWSQXEVSA-N 2 2 276.384 0.904 20 0 CCADLP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000372746584 144379628 /nfs/dbraw/zinc/37/96/28/144379628.db2.gz CLXIXSOBGAPHRD-CHWSQXEVSA-N 2 2 276.384 0.904 20 0 CCADLP C[NH2+]CCCC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000372973298 144387898 /nfs/dbraw/zinc/38/78/98/144387898.db2.gz DYKNOFCSLJITEL-UHFFFAOYSA-N 2 2 264.373 0.878 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C[C@H]1CCC[N@@H+]1C ZINC000649610357 397646648 /nfs/dbraw/zinc/64/66/48/397646648.db2.gz PDUIWVSESVSXRM-RBSFLKMASA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C[C@H]1CCC[N@H+]1C ZINC000649610357 397646650 /nfs/dbraw/zinc/64/66/50/397646650.db2.gz PDUIWVSESVSXRM-RBSFLKMASA-N 2 2 267.417 0.876 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](CC2=CCCC2)CC1=O ZINC000649684778 397655159 /nfs/dbraw/zinc/65/51/59/397655159.db2.gz BLQCZGUNOVGBAU-UHFFFAOYSA-N 2 2 251.374 0.803 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](CC2=CCCC2)CC1=O ZINC000649684778 397655161 /nfs/dbraw/zinc/65/51/61/397655161.db2.gz BLQCZGUNOVGBAU-UHFFFAOYSA-N 2 2 251.374 0.803 20 0 CCADLP CN(CCCNC(=O)C[N@H+](C)CCC[NH3+])c1ccccc1 ZINC000649409941 397606141 /nfs/dbraw/zinc/60/61/41/397606141.db2.gz CGHRIJZJPPARBC-UHFFFAOYSA-N 2 2 292.427 0.910 20 0 CCADLP CN(CCCNC(=O)C[N@@H+](C)CCC[NH3+])c1ccccc1 ZINC000649409941 397606142 /nfs/dbraw/zinc/60/61/42/397606142.db2.gz CGHRIJZJPPARBC-UHFFFAOYSA-N 2 2 292.427 0.910 20 0 CCADLP Cc1nc(CN2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)no1 ZINC000649413316 397608050 /nfs/dbraw/zinc/60/80/50/397608050.db2.gz UVEXWOUDIDUGDS-GFCCVEGCSA-N 2 2 265.361 0.105 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)N(C)Cc1cnn(C)c1 ZINC000649420201 397610075 /nfs/dbraw/zinc/61/00/75/397610075.db2.gz LVYSQUHVYUEFPP-JMSVASOKSA-N 2 2 293.415 0.355 20 0 CCADLP [NH3+]CC1(CC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000650748439 397753540 /nfs/dbraw/zinc/75/35/40/397753540.db2.gz UIABJDFCQHJTKI-OLZOCXBDSA-N 3 2 253.390 0.472 20 0 CCADLP NC(=O)c1c[nH+]ccc1NC[C@H]1CCCn2cc[nH+]c21 ZINC000547283668 285929557 /nfs/dbraw/zinc/92/95/57/285929557.db2.gz WOWZQFWEOFYEAA-SNVBAGLBSA-N 2 2 271.324 0.788 20 0 CCADLP C[N@H+](CCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000548610792 286051897 /nfs/dbraw/zinc/05/18/97/286051897.db2.gz URGKXTGQIUGZQX-LLVKDONJSA-N 2 2 277.372 0.591 20 0 CCADLP C[N@@H+](CCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000548610792 286051898 /nfs/dbraw/zinc/05/18/98/286051898.db2.gz URGKXTGQIUGZQX-LLVKDONJSA-N 2 2 277.372 0.591 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428047901 286069026 /nfs/dbraw/zinc/06/90/26/286069026.db2.gz ZXYOJWSBRBBYEI-MJBXVCDLSA-N 2 2 283.416 0.602 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428047901 286069027 /nfs/dbraw/zinc/06/90/27/286069027.db2.gz ZXYOJWSBRBBYEI-MJBXVCDLSA-N 2 2 283.416 0.602 20 0 CCADLP C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000549098217 286086293 /nfs/dbraw/zinc/08/62/93/286086293.db2.gz UJHWUNWSALXNDA-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000549098217 286086296 /nfs/dbraw/zinc/08/62/96/286086296.db2.gz UJHWUNWSALXNDA-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP C[N@H+](CC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCSC1 ZINC000551921747 286136641 /nfs/dbraw/zinc/13/66/41/286136641.db2.gz JROPPPPUEQFAAV-WDEREUQCSA-N 2 2 294.424 0.821 20 0 CCADLP C[N@@H+](CC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCSC1 ZINC000551921747 286136643 /nfs/dbraw/zinc/13/66/43/286136643.db2.gz JROPPPPUEQFAAV-WDEREUQCSA-N 2 2 294.424 0.821 20 0 CCADLP C[N@H+](CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCSC1 ZINC000551921747 286136644 /nfs/dbraw/zinc/13/66/44/286136644.db2.gz JROPPPPUEQFAAV-WDEREUQCSA-N 2 2 294.424 0.821 20 0 CCADLP C[N@@H+](CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCSC1 ZINC000551921747 286136645 /nfs/dbraw/zinc/13/66/45/286136645.db2.gz JROPPPPUEQFAAV-WDEREUQCSA-N 2 2 294.424 0.821 20 0 CCADLP C[N@H+](CC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCSC1 ZINC000551921746 286136711 /nfs/dbraw/zinc/13/67/11/286136711.db2.gz JROPPPPUEQFAAV-QWRGUYRKSA-N 2 2 294.424 0.821 20 0 CCADLP C[N@@H+](CC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCSC1 ZINC000551921746 286136712 /nfs/dbraw/zinc/13/67/12/286136712.db2.gz JROPPPPUEQFAAV-QWRGUYRKSA-N 2 2 294.424 0.821 20 0 CCADLP C[N@H+](CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCSC1 ZINC000551921746 286136713 /nfs/dbraw/zinc/13/67/13/286136713.db2.gz JROPPPPUEQFAAV-QWRGUYRKSA-N 2 2 294.424 0.821 20 0 CCADLP C[N@@H+](CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCSC1 ZINC000551921746 286136714 /nfs/dbraw/zinc/13/67/14/286136714.db2.gz JROPPPPUEQFAAV-QWRGUYRKSA-N 2 2 294.424 0.821 20 0 CCADLP CC(C)(C)[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000553146250 286182045 /nfs/dbraw/zinc/18/20/45/286182045.db2.gz GXNCHGXRJUHBMW-NSHDSACASA-N 2 2 264.373 0.950 20 0 CCADLP O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000430678409 304369763 /nfs/dbraw/zinc/36/97/63/304369763.db2.gz JCQXKXIKJMFZSN-MNOVXSKESA-N 2 2 264.329 0.104 20 0 CCADLP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCCn2cc[nH+]c2)C1(C)C ZINC000157099355 286503401 /nfs/dbraw/zinc/50/34/01/286503401.db2.gz YTODBBADPKXKBS-SMDDNHRTSA-N 2 2 280.372 0.532 20 0 CCADLP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261583152 298130161 /nfs/dbraw/zinc/13/01/61/298130161.db2.gz RPSZQTFKLMUZTC-WOPDTQHZSA-N 2 2 253.390 0.831 20 0 CCADLP C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261583152 298130164 /nfs/dbraw/zinc/13/01/64/298130164.db2.gz RPSZQTFKLMUZTC-WOPDTQHZSA-N 2 2 253.390 0.831 20 0 CCADLP C[C@H](CCN1CCOCC1)[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000422910367 298430365 /nfs/dbraw/zinc/43/03/65/298430365.db2.gz HXAOWZRIOGZANF-ILXRZTDVSA-N 2 2 285.432 0.454 20 0 CCADLP COCCN(CC[NH+](C)C)Cc1[nH+]cc(C)n1C ZINC000349333384 292479239 /nfs/dbraw/zinc/47/92/39/292479239.db2.gz QAQQFPYJLYPOJC-UHFFFAOYSA-N 2 2 254.378 0.739 20 0 CCADLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccccc1-n1ccnn1 ZINC000353506213 287036396 /nfs/dbraw/zinc/03/63/96/287036396.db2.gz XDXGGNMDHFHBSU-OLZOCXBDSA-N 2 2 289.383 0.840 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)CC1CC[NH2+]CC1 ZINC000038075234 298637496 /nfs/dbraw/zinc/63/74/96/298637496.db2.gz AUWXINVVLQALKK-GFCCVEGCSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000186809792 287092903 /nfs/dbraw/zinc/09/29/03/287092903.db2.gz QTOMRGQORJLVBZ-BARDWOONSA-N 2 2 297.443 0.773 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000186809792 287092905 /nfs/dbraw/zinc/09/29/05/287092905.db2.gz QTOMRGQORJLVBZ-BARDWOONSA-N 2 2 297.443 0.773 20 0 CCADLP CC(C)Cc1noc(C[N@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000071150257 411694466 /nfs/dbraw/zinc/69/44/66/411694466.db2.gz SVMRQNWYFMOFJN-UHFFFAOYSA-N 2 2 281.404 0.605 20 0 CCADLP CC(C)Cc1noc(C[N@@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000071150257 411694470 /nfs/dbraw/zinc/69/44/70/411694470.db2.gz SVMRQNWYFMOFJN-UHFFFAOYSA-N 2 2 281.404 0.605 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400968121 411779381 /nfs/dbraw/zinc/77/93/81/411779381.db2.gz OWLXZZDRXPBSDH-BYNSBNAKSA-N 3 2 266.433 0.210 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400968121 411779385 /nfs/dbraw/zinc/77/93/85/411779385.db2.gz OWLXZZDRXPBSDH-BYNSBNAKSA-N 3 2 266.433 0.210 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CC[C@@]2(O)CCOC2)C[N@@H+]1C1CC1 ZINC000404136316 411791337 /nfs/dbraw/zinc/79/13/37/411791337.db2.gz CPSGNDRDKLDFDC-MBNYWOFBSA-N 2 2 254.374 0.743 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CC[C@@]2(O)CCOC2)C[N@H+]1C1CC1 ZINC000404136316 411791340 /nfs/dbraw/zinc/79/13/40/411791340.db2.gz CPSGNDRDKLDFDC-MBNYWOFBSA-N 2 2 254.374 0.743 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CC[C@]2(O)CCOC2)C[N@@H+]1C1CC1 ZINC000404136315 411791409 /nfs/dbraw/zinc/79/14/09/411791409.db2.gz CPSGNDRDKLDFDC-DYEKYZERSA-N 2 2 254.374 0.743 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CC[C@]2(O)CCOC2)C[N@H+]1C1CC1 ZINC000404136315 411791413 /nfs/dbraw/zinc/79/14/13/411791413.db2.gz CPSGNDRDKLDFDC-DYEKYZERSA-N 2 2 254.374 0.743 20 0 CCADLP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@H]1C[NH3+] ZINC000405237508 411800149 /nfs/dbraw/zinc/80/01/49/411800149.db2.gz ZKTIEBHTHUNUMB-YNEHKIRRSA-N 2 2 285.432 0.975 20 0 CCADLP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(C)(C)CC)C[C@H]1C[NH3+] ZINC000405237508 411800155 /nfs/dbraw/zinc/80/01/55/411800155.db2.gz ZKTIEBHTHUNUMB-YNEHKIRRSA-N 2 2 285.432 0.975 20 0 CCADLP C[C@H](CCCCO)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000651379306 411857291 /nfs/dbraw/zinc/85/72/91/411857291.db2.gz LOZLWSJYJJDBRR-KGLIPLIRSA-N 2 2 258.406 0.974 20 0 CCADLP C[C@H](CCCCO)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000651379306 411857294 /nfs/dbraw/zinc/85/72/94/411857294.db2.gz LOZLWSJYJJDBRR-KGLIPLIRSA-N 2 2 258.406 0.974 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651773052 411932998 /nfs/dbraw/zinc/93/29/98/411932998.db2.gz TZEQLGFERKHOCN-UHFFFAOYSA-N 2 2 276.384 0.971 20 0 CCADLP CC1(C)CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC[NH2+]1 ZINC000651433240 411869776 /nfs/dbraw/zinc/86/97/76/411869776.db2.gz SKGZTQUAHMAIPD-UHFFFAOYSA-N 2 2 276.384 0.972 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC[C@]1(O)CCOC1 ZINC000651944268 411965173 /nfs/dbraw/zinc/96/51/73/411965173.db2.gz RALSXHGYSLZIFK-XBFCOCLRSA-N 2 2 254.374 0.600 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC[C@]1(O)CCOC1 ZINC000651944268 411965176 /nfs/dbraw/zinc/96/51/76/411965176.db2.gz RALSXHGYSLZIFK-XBFCOCLRSA-N 2 2 254.374 0.600 20 0 CCADLP O=C(NC[C@H]1C[NH+]2CCN1CC2)c1ccc2c[nH+]cn2c1 ZINC000284536203 196079514 /nfs/dbraw/zinc/07/95/14/196079514.db2.gz ALFKQUFQMAGZFL-AWEZNQCLSA-N 2 2 285.351 0.064 20 0 CCADLP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccon2)[C@H]1CC[NH3+] ZINC000652353732 412037097 /nfs/dbraw/zinc/03/70/97/412037097.db2.gz BVZCMKRTQMKTDJ-MNOVXSKESA-N 2 2 266.345 0.484 20 0 CCADLP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccon2)[C@H]1CC[NH3+] ZINC000652353732 412037098 /nfs/dbraw/zinc/03/70/98/412037098.db2.gz BVZCMKRTQMKTDJ-MNOVXSKESA-N 2 2 266.345 0.484 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCc2ccccc2CC1 ZINC000653090735 412214567 /nfs/dbraw/zinc/21/45/67/412214567.db2.gz ZCEPTGASMUPOEW-OAHLLOKOSA-N 2 2 275.396 0.893 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCSC(C)(C)C1 ZINC000653092911 412215359 /nfs/dbraw/zinc/21/53/59/412215359.db2.gz PLSNUKPSWHJSMR-SNVBAGLBSA-N 2 2 259.419 0.619 20 0 CCADLP COc1ccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1OC ZINC000653056965 412203498 /nfs/dbraw/zinc/20/34/98/412203498.db2.gz HGOYPIYNSUOXAQ-LBPRGKRZSA-N 2 2 295.383 0.599 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCc1cccc(F)c1 ZINC000653061215 412205627 /nfs/dbraw/zinc/20/56/27/412205627.db2.gz GCXMTTMLWJJVAF-CYBMUJFWSA-N 2 2 267.348 0.763 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCOc1ccccc1F ZINC000653058053 412205679 /nfs/dbraw/zinc/20/56/79/412205679.db2.gz BCTNJKHYSBFEBY-LBPRGKRZSA-N 2 2 283.347 0.600 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1ccccc1F ZINC000653058374 412205886 /nfs/dbraw/zinc/20/58/86/412205886.db2.gz POKNPFMSXVHTRN-GFCCVEGCSA-N 2 2 253.321 0.721 20 0 CCADLP CN(Cc1cccc(O)c1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653068850 412207326 /nfs/dbraw/zinc/20/73/26/412207326.db2.gz TZZZTIQHEJAKKL-ZDUSSCGKSA-N 2 2 265.357 0.630 20 0 CCADLP CN(C[C@@H]1CCCCO1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653077048 412210757 /nfs/dbraw/zinc/21/07/57/412210757.db2.gz MYZWPFIYUDEEPP-NWDGAFQWSA-N 2 2 257.378 0.293 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C[C@H](C)S1 ZINC000653080348 412211134 /nfs/dbraw/zinc/21/11/34/412211134.db2.gz CPMMJCZPXOCHLL-AXFHLTTASA-N 2 2 259.419 0.618 20 0 CCADLP CCN(CC)C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653079881 412211288 /nfs/dbraw/zinc/21/12/88/412211288.db2.gz QXADDCAEDMYAMV-STQMWFEESA-N 2 2 298.431 0.125 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000653079526 412211566 /nfs/dbraw/zinc/21/15/66/412211566.db2.gz CJJGGLLFQXMSNL-NSHDSACASA-N 2 2 279.388 0.992 20 0 CCADLP C[C@H](C(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+])[NH+]1CCN(C)CC1 ZINC000653242986 412265754 /nfs/dbraw/zinc/26/57/54/412265754.db2.gz WQIQVOIZTZGXPG-KFWWJZLASA-N 2 2 296.459 0.598 20 0 CCADLP COCc1ccnc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000653275522 412276508 /nfs/dbraw/zinc/27/65/08/412276508.db2.gz HJDIQAQPVNEJDL-NSHDSACASA-N 2 2 266.345 0.446 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@H](O)CC(C)(C)C ZINC000653092684 412215863 /nfs/dbraw/zinc/21/58/63/412215863.db2.gz IFRYIYOCPPQEAA-WDEREUQCSA-N 2 2 259.394 0.179 20 0 CCADLP CCCC[C@@H](COC)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653093618 412216154 /nfs/dbraw/zinc/21/61/54/412216154.db2.gz IJJBVNNAFLEPSR-RYUDHWBXSA-N 2 2 259.394 0.587 20 0 CCADLP CCO[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C12CCC2 ZINC000653096236 412217438 /nfs/dbraw/zinc/21/74/38/412217438.db2.gz GSRVFGGZLYJVRB-JHJVBQTASA-N 2 2 283.416 0.729 20 0 CCADLP CO[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1(C)C ZINC000653101671 412218387 /nfs/dbraw/zinc/21/83/87/412218387.db2.gz CDBKWRLFCGAINX-OUAUKWLOSA-N 2 2 257.378 0.195 20 0 CCADLP CN(CCCNC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccccc1 ZINC000653106275 412219952 /nfs/dbraw/zinc/21/99/52/412219952.db2.gz ZKHXIUNUSFEQGY-OAHLLOKOSA-N 2 2 292.427 0.908 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000653105358 412219999 /nfs/dbraw/zinc/21/99/99/412219999.db2.gz REGYBHNHLXAKGD-LSDHHAIUSA-N 3 2 292.427 0.685 20 0 CCADLP C[C@H]1CCC[N@H+](CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653109922 412222006 /nfs/dbraw/zinc/22/20/06/412222006.db2.gz RHLKCSVMGOWPPX-STQMWFEESA-N 3 2 270.421 0.114 20 0 CCADLP C[C@H]1CCC[N@@H+](CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653109922 412222007 /nfs/dbraw/zinc/22/20/07/412222007.db2.gz RHLKCSVMGOWPPX-STQMWFEESA-N 3 2 270.421 0.114 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000653111603 412224555 /nfs/dbraw/zinc/22/45/55/412224555.db2.gz UNYHZJOOGGWNMA-ZIAGYGMSSA-N 3 2 282.432 0.352 20 0 CCADLP O=C(N1CCC(c2[nH]cc[nH+]2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653114791 412225191 /nfs/dbraw/zinc/22/51/91/412225191.db2.gz WZFWYZFAHZPNBY-WFASDCNBSA-N 2 2 290.367 0.352 20 0 CCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653115667 412225515 /nfs/dbraw/zinc/22/55/15/412225515.db2.gz WUQUJTNOLWTXTO-NEPJUHHUSA-N 3 2 258.410 0.112 20 0 CCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653115667 412225517 /nfs/dbraw/zinc/22/55/17/412225517.db2.gz WUQUJTNOLWTXTO-NEPJUHHUSA-N 3 2 258.410 0.112 20 0 CCADLP CN(CCN(C)c1ccccc1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653118363 412227940 /nfs/dbraw/zinc/22/79/40/412227940.db2.gz JRAZTRNJBTWGPF-HNNXBMFYSA-N 2 2 292.427 0.860 20 0 CCADLP Cc1cn2cc(NC(=O)[C@]34C[NH2+]C[C@H]3COC4)ccc2[nH+]1 ZINC000653116994 412228280 /nfs/dbraw/zinc/22/82/80/412228280.db2.gz ZZMYNLHIDQATRX-NHYWBVRUSA-N 2 2 286.335 0.817 20 0 CCADLP COc1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)nc1 ZINC000653121940 412228859 /nfs/dbraw/zinc/22/88/59/412228859.db2.gz HDNCYRWIWAJQLO-JTQLQIEISA-N 2 2 252.318 0.308 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000653122419 412232327 /nfs/dbraw/zinc/23/23/27/412232327.db2.gz WLAFUIHHMCXUEO-LBPRGKRZSA-N 3 2 279.388 0.361 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000653122356 412233073 /nfs/dbraw/zinc/23/30/73/412233073.db2.gz UTWSWJRLGSETBK-GJZGRUSLSA-N 3 2 296.459 0.600 20 0 CCADLP CC(C)CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000653148618 412242049 /nfs/dbraw/zinc/24/20/49/412242049.db2.gz FRRNAJWVJRSBKQ-HNNXBMFYSA-N 3 2 298.475 0.844 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCc2c1cccc2F ZINC000653150666 412243913 /nfs/dbraw/zinc/24/39/13/412243913.db2.gz JSMVTPBMTRPGSG-LBPRGKRZSA-N 2 2 265.332 0.994 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000653152678 412245787 /nfs/dbraw/zinc/24/57/87/412245787.db2.gz VUYOFSLVBFDQEI-MELADBBJSA-N 3 2 282.432 0.208 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000653152678 412245793 /nfs/dbraw/zinc/24/57/93/412245793.db2.gz VUYOFSLVBFDQEI-MELADBBJSA-N 3 2 282.432 0.208 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000653160845 412246207 /nfs/dbraw/zinc/24/62/07/412246207.db2.gz YKCGZQGLQTUYKG-AWEZNQCLSA-N 3 2 282.432 0.256 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000653164722 412249981 /nfs/dbraw/zinc/24/99/81/412249981.db2.gz DNZRJBWJONJZFG-UONOGXRCSA-N 3 2 296.459 0.502 20 0 CCADLP C[C@@H]1C[C@H](C)N(C(=O)[C@H]([NH3+])CC[NH+](C)C)C[C@@H]1C[NH3+] ZINC000653165603 412250022 /nfs/dbraw/zinc/25/00/22/412250022.db2.gz WWFPTZJEEANPPH-MROQNXINSA-N 3 2 270.421 0.097 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cc(F)ccc1O ZINC000653168140 412250600 /nfs/dbraw/zinc/25/06/00/412250600.db2.gz QKSZULLUMUITCG-VIFPVBQESA-N 2 2 255.293 0.749 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000653593705 412322867 /nfs/dbraw/zinc/32/28/67/412322867.db2.gz LRJIHFMIGRSRDE-NSHDSACASA-N 2 2 278.343 0.657 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000653593705 412322870 /nfs/dbraw/zinc/32/28/70/412322870.db2.gz LRJIHFMIGRSRDE-NSHDSACASA-N 2 2 278.343 0.657 20 0 CCADLP C[C@H]1C(=O)N(C)CC[N@H+]1CCCc1c[nH+]cn1C ZINC000653624214 412326499 /nfs/dbraw/zinc/32/64/99/412326499.db2.gz FZPNDIZUCMBAFO-NSHDSACASA-N 2 2 250.346 0.515 20 0 CCADLP C[C@H]1C(=O)N(C)CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000653624214 412326502 /nfs/dbraw/zinc/32/65/02/412326502.db2.gz FZPNDIZUCMBAFO-NSHDSACASA-N 2 2 250.346 0.515 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000653635331 412327667 /nfs/dbraw/zinc/32/76/67/412327667.db2.gz HSPNGJXYLJEDGL-XGUBFFRZSA-N 2 2 288.432 0.407 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000653635331 412327668 /nfs/dbraw/zinc/32/76/68/412327668.db2.gz HSPNGJXYLJEDGL-XGUBFFRZSA-N 2 2 288.432 0.407 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000653635331 412327669 /nfs/dbraw/zinc/32/76/69/412327669.db2.gz HSPNGJXYLJEDGL-XGUBFFRZSA-N 2 2 288.432 0.407 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000653635331 412327670 /nfs/dbraw/zinc/32/76/70/412327670.db2.gz HSPNGJXYLJEDGL-XGUBFFRZSA-N 2 2 288.432 0.407 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](CC(=O)NC)c1ccccc1 ZINC000653656481 412330724 /nfs/dbraw/zinc/33/07/24/412330724.db2.gz DTKPLTJFNHZDBH-HUUCEWRRSA-N 2 2 293.411 0.766 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](CC(=O)NC)c1ccccc1 ZINC000653656481 412330726 /nfs/dbraw/zinc/33/07/26/412330726.db2.gz DTKPLTJFNHZDBH-HUUCEWRRSA-N 2 2 293.411 0.766 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@]2(C1)CCCOC2 ZINC000653664963 412332658 /nfs/dbraw/zinc/33/26/58/412332658.db2.gz DSJHLEUDJKEINB-HUUCEWRRSA-N 2 2 286.416 0.428 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@]2(C1)CCCOC2 ZINC000653664963 412332660 /nfs/dbraw/zinc/33/26/60/412332660.db2.gz DSJHLEUDJKEINB-HUUCEWRRSA-N 2 2 286.416 0.428 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000653664963 412332661 /nfs/dbraw/zinc/33/26/61/412332661.db2.gz DSJHLEUDJKEINB-HUUCEWRRSA-N 2 2 286.416 0.428 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000653664963 412332663 /nfs/dbraw/zinc/33/26/63/412332663.db2.gz DSJHLEUDJKEINB-HUUCEWRRSA-N 2 2 286.416 0.428 20 0 CCADLP C[C@H](CO)C[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000653689608 412335602 /nfs/dbraw/zinc/33/56/02/412335602.db2.gz COKYKUZIICVUDD-QWHCGFSZSA-N 2 2 256.390 0.800 20 0 CCADLP C[C@H](CO)C[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000653689608 412335606 /nfs/dbraw/zinc/33/56/06/412335606.db2.gz COKYKUZIICVUDD-QWHCGFSZSA-N 2 2 256.390 0.800 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1C1(O)CC1 ZINC000653758001 412342770 /nfs/dbraw/zinc/34/27/70/412342770.db2.gz LPARIEIYIBXTOQ-KBPBESRZSA-N 2 2 286.416 0.305 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1C1(O)CC1 ZINC000653758001 412342776 /nfs/dbraw/zinc/34/27/76/412342776.db2.gz LPARIEIYIBXTOQ-KBPBESRZSA-N 2 2 286.416 0.305 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1C1(O)CC1 ZINC000653758001 412342778 /nfs/dbraw/zinc/34/27/78/412342778.db2.gz LPARIEIYIBXTOQ-KBPBESRZSA-N 2 2 286.416 0.305 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1C1(O)CC1 ZINC000653758001 412342782 /nfs/dbraw/zinc/34/27/82/412342782.db2.gz LPARIEIYIBXTOQ-KBPBESRZSA-N 2 2 286.416 0.305 20 0 CCADLP Cn1cnnc1N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000653823589 412352614 /nfs/dbraw/zinc/35/26/14/412352614.db2.gz IWHGRSRZPSGRDP-UHFFFAOYSA-N 2 2 275.360 0.224 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000653345945 412292365 /nfs/dbraw/zinc/29/23/65/412292365.db2.gz BKFOABQVWXZUMI-AWEZNQCLSA-N 3 2 278.400 0.966 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1nncn1-c1ccccc1 ZINC000653348775 412294047 /nfs/dbraw/zinc/29/40/47/412294047.db2.gz RRBHWAAHAJSKDK-GFCCVEGCSA-N 2 2 288.355 0.485 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000653477103 412304234 /nfs/dbraw/zinc/30/42/34/412304234.db2.gz DWBDNSHUHWWHNN-RWMBFGLXSA-N 2 2 279.388 0.911 20 0 CCADLP CC1(C)C[NH+](CC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000654899223 412448988 /nfs/dbraw/zinc/44/89/88/412448988.db2.gz DNTYATOCLMVXKC-CQSZACIVSA-N 2 2 295.427 0.698 20 0 CCADLP CC1(C)C[NH+](CC(=O)N[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000655070492 412473148 /nfs/dbraw/zinc/47/31/48/412473148.db2.gz FTHMFPRYWBMTOH-NSHDSACASA-N 2 2 262.357 0.656 20 0 CCADLP CC1(C)C[NH+](CC(=O)N[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000655070491 412473699 /nfs/dbraw/zinc/47/36/99/412473699.db2.gz FTHMFPRYWBMTOH-LLVKDONJSA-N 2 2 262.357 0.656 20 0 CCADLP CC(C)(CNC(=O)NCC12CC(C1)C[NH2+]2)[NH+]1CCOCC1 ZINC000659425560 413489893 /nfs/dbraw/zinc/48/98/93/413489893.db2.gz MWOSWCBWSXRLAC-UHFFFAOYSA-N 2 2 296.415 0.148 20 0 CCADLP CN(C)c1ccc(CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c[nH+]1 ZINC000659435665 413498503 /nfs/dbraw/zinc/49/85/03/413498503.db2.gz ZYMDUWLNLXTRNZ-VXGBXAGGSA-N 2 2 295.362 0.728 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)N[C@@H](C)C[NH2+]C ZINC000659501391 413554661 /nfs/dbraw/zinc/55/46/61/413554661.db2.gz LVNXENUJENJVQI-VHSXEESVSA-N 2 2 253.350 0.871 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)NCC1([NH3+])CCCC1 ZINC000659569889 413665875 /nfs/dbraw/zinc/66/58/75/413665875.db2.gz AIQUEAFSQLNGJQ-UHFFFAOYSA-N 2 2 284.404 0.232 20 0 CCADLP CCN1CC[C@@H]([N@H+](C)C[C@H]2CCC[NH+](C)C2)C1=O ZINC000659948313 413994804 /nfs/dbraw/zinc/99/48/04/413994804.db2.gz PJSDTSCXQIHJJQ-QWHCGFSZSA-N 2 2 253.390 0.881 20 0 CCADLP CCN1CC[C@@H]([N@@H+](C)C[C@H]2CCC[NH+](C)C2)C1=O ZINC000659948313 413994810 /nfs/dbraw/zinc/99/48/10/413994810.db2.gz PJSDTSCXQIHJJQ-QWHCGFSZSA-N 2 2 253.390 0.881 20 0 CCADLP CCN1CC[C@@H]([NH+](C)C[C@H]2CCC[N@H+](C)C2)C1=O ZINC000659948313 413994818 /nfs/dbraw/zinc/99/48/18/413994818.db2.gz PJSDTSCXQIHJJQ-QWHCGFSZSA-N 2 2 253.390 0.881 20 0 CCADLP CCN1CC[C@@H]([NH+](C)C[C@H]2CCC[N@@H+](C)C2)C1=O ZINC000659948313 413994824 /nfs/dbraw/zinc/99/48/24/413994824.db2.gz PJSDTSCXQIHJJQ-QWHCGFSZSA-N 2 2 253.390 0.881 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CN1CCOCC1 ZINC000659959260 413998220 /nfs/dbraw/zinc/99/82/20/413998220.db2.gz FOHMLKMIRWHDJK-HZPDHXFCSA-N 2 2 299.459 0.484 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CN1CCOCC1 ZINC000659959260 413998227 /nfs/dbraw/zinc/99/82/27/413998227.db2.gz FOHMLKMIRWHDJK-HZPDHXFCSA-N 2 2 299.459 0.484 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000659959260 413998231 /nfs/dbraw/zinc/99/82/31/413998231.db2.gz FOHMLKMIRWHDJK-HZPDHXFCSA-N 2 2 299.459 0.484 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000659959260 413998236 /nfs/dbraw/zinc/99/82/36/413998236.db2.gz FOHMLKMIRWHDJK-HZPDHXFCSA-N 2 2 299.459 0.484 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)CN1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000659959260 413998239 /nfs/dbraw/zinc/99/82/39/413998239.db2.gz FOHMLKMIRWHDJK-HZPDHXFCSA-N 2 2 299.459 0.484 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)CN1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000659959260 413998246 /nfs/dbraw/zinc/99/82/46/413998246.db2.gz FOHMLKMIRWHDJK-HZPDHXFCSA-N 2 2 299.459 0.484 20 0 CCADLP CC[N@H+](C)C[C@@H]1CC[NH+](CCN2C(=O)CN(C)C2=O)C1 ZINC000659989110 414028290 /nfs/dbraw/zinc/02/82/90/414028290.db2.gz BRUWSWLODFDFSO-LBPRGKRZSA-N 2 2 282.388 0.154 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CCN2C(=O)CN(C)C2=O)C1 ZINC000659989110 414028300 /nfs/dbraw/zinc/02/83/00/414028300.db2.gz BRUWSWLODFDFSO-LBPRGKRZSA-N 2 2 282.388 0.154 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000659989110 414028306 /nfs/dbraw/zinc/02/83/06/414028306.db2.gz BRUWSWLODFDFSO-LBPRGKRZSA-N 2 2 282.388 0.154 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000659989110 414028315 /nfs/dbraw/zinc/02/83/15/414028315.db2.gz BRUWSWLODFDFSO-LBPRGKRZSA-N 2 2 282.388 0.154 20 0 CCADLP C[C@@H](C(N)=O)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285656590 196357553 /nfs/dbraw/zinc/35/75/53/196357553.db2.gz MPDKLJRIWQNQRK-NSHDSACASA-N 2 2 253.346 0.907 20 0 CCADLP C[C@@H](C(N)=O)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285656590 196357555 /nfs/dbraw/zinc/35/75/55/196357555.db2.gz MPDKLJRIWQNQRK-NSHDSACASA-N 2 2 253.346 0.907 20 0 CCADLP C[C@@H](C(N)=O)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285656590 196357557 /nfs/dbraw/zinc/35/75/57/196357557.db2.gz MPDKLJRIWQNQRK-NSHDSACASA-N 2 2 253.346 0.907 20 0 CCADLP C[C@@H](C(N)=O)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285656590 196357559 /nfs/dbraw/zinc/35/75/59/196357559.db2.gz MPDKLJRIWQNQRK-NSHDSACASA-N 2 2 253.346 0.907 20 0 CCADLP CCN1CC[C@H]([N@H+](C)CCCn2cc[nH+]c2)C1=O ZINC000660148888 414161444 /nfs/dbraw/zinc/16/14/44/414161444.db2.gz NQVFZYMIEGCRBA-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP CCN1CC[C@H]([N@@H+](C)CCCn2cc[nH+]c2)C1=O ZINC000660148888 414161449 /nfs/dbraw/zinc/16/14/49/414161449.db2.gz NQVFZYMIEGCRBA-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP FC1(F)C[C@H]1OCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000660419606 414306259 /nfs/dbraw/zinc/30/62/59/414306259.db2.gz KASQGCDHFRTZHS-SNVBAGLBSA-N 2 2 272.299 0.956 20 0 CCADLP OCCOCC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660471596 414344230 /nfs/dbraw/zinc/34/42/30/414344230.db2.gz BJWISGRDHHKGJL-AWEZNQCLSA-N 2 2 272.389 0.182 20 0 CCADLP OCCOCC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660471596 414344239 /nfs/dbraw/zinc/34/42/39/414344239.db2.gz BJWISGRDHHKGJL-AWEZNQCLSA-N 2 2 272.389 0.182 20 0 CCADLP CC[NH+]1CCC(NC(=O)CN2CCn3c[nH+]cc3C2)CC1 ZINC000660574156 414394774 /nfs/dbraw/zinc/39/47/74/414394774.db2.gz KYGKPPPRAAKJPY-UHFFFAOYSA-N 2 2 291.399 0.299 20 0 CCADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+]([C@@H]1CCCNC1=O)C2 ZINC000660659097 414431456 /nfs/dbraw/zinc/43/14/56/414431456.db2.gz KGBPAHQANRIQFJ-OCCSQVGLSA-N 2 2 251.374 0.683 20 0 CCADLP C[N@H+]1CC[C@]2(C1)CCC[NH+]([C@@H]1CCCNC1=O)C2 ZINC000660659097 414431461 /nfs/dbraw/zinc/43/14/61/414431461.db2.gz KGBPAHQANRIQFJ-OCCSQVGLSA-N 2 2 251.374 0.683 20 0 CCADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+]([C@@H]1CCCNC1=O)C2 ZINC000660659097 414431463 /nfs/dbraw/zinc/43/14/63/414431463.db2.gz KGBPAHQANRIQFJ-OCCSQVGLSA-N 2 2 251.374 0.683 20 0 CCADLP C[NH+]1CC[C@]2(C1)CCC[N@H+]([C@@H]1CCCNC1=O)C2 ZINC000660659097 414431472 /nfs/dbraw/zinc/43/14/72/414431472.db2.gz KGBPAHQANRIQFJ-OCCSQVGLSA-N 2 2 251.374 0.683 20 0 CCADLP CC(C)C[NH2+]C1(CO)CCN(Cc2c[nH+]cn2C)CC1 ZINC000660694461 414444599 /nfs/dbraw/zinc/44/45/99/414444599.db2.gz CSNKMYZWPDGPEE-UHFFFAOYSA-N 2 2 280.416 0.993 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660587056 414402728 /nfs/dbraw/zinc/40/27/28/414402728.db2.gz NSFVQOIMGYKLPG-UHFFFAOYSA-N 2 2 253.350 0.891 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660587056 414402733 /nfs/dbraw/zinc/40/27/33/414402733.db2.gz NSFVQOIMGYKLPG-UHFFFAOYSA-N 2 2 253.350 0.891 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660587056 414402738 /nfs/dbraw/zinc/40/27/38/414402738.db2.gz NSFVQOIMGYKLPG-UHFFFAOYSA-N 2 2 253.350 0.891 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660587056 414402743 /nfs/dbraw/zinc/40/27/43/414402743.db2.gz NSFVQOIMGYKLPG-UHFFFAOYSA-N 2 2 253.350 0.891 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(F)c(F)c1 ZINC000038031002 174023994 /nfs/dbraw/zinc/02/39/94/174023994.db2.gz HCGQCHXETBGECU-UHFFFAOYSA-N 2 2 283.322 0.828 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(F)c(F)c1 ZINC000038031002 174023995 /nfs/dbraw/zinc/02/39/95/174023995.db2.gz HCGQCHXETBGECU-UHFFFAOYSA-N 2 2 283.322 0.828 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC2(CCC2)OC[C@@H]1C ZINC000661462064 414628590 /nfs/dbraw/zinc/62/85/90/414628590.db2.gz GFGTWRAWDHILAY-QWHCGFSZSA-N 2 2 256.390 0.942 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC2(CCC2)OC[C@@H]1C ZINC000661462064 414628594 /nfs/dbraw/zinc/62/85/94/414628594.db2.gz GFGTWRAWDHILAY-QWHCGFSZSA-N 2 2 256.390 0.942 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC2(CCC2)OC[C@@H]1C ZINC000661462064 414628598 /nfs/dbraw/zinc/62/85/98/414628598.db2.gz GFGTWRAWDHILAY-QWHCGFSZSA-N 2 2 256.390 0.942 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC2(CCC2)OC[C@@H]1C ZINC000661462064 414628600 /nfs/dbraw/zinc/62/86/00/414628600.db2.gz GFGTWRAWDHILAY-QWHCGFSZSA-N 2 2 256.390 0.942 20 0 CCADLP CN(C)C(=O)C[NH+]1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000038044832 174052871 /nfs/dbraw/zinc/05/28/71/174052871.db2.gz CIJZDNPWIXBZEN-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP CC(C)[NH+]1CCC([NH2+]CCCS(C)(=O)=O)CC1 ZINC000038047027 174057282 /nfs/dbraw/zinc/05/72/82/174057282.db2.gz ZRSUYOBIUKZVBE-UHFFFAOYSA-N 2 2 262.419 0.884 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CC2=CCCOC2)CC1 ZINC000661656665 414661250 /nfs/dbraw/zinc/66/12/50/414661250.db2.gz HNQXAPOEXFGBPF-CQSZACIVSA-N 2 2 295.427 0.818 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CC2=CCCOC2)CC1 ZINC000661656665 414661251 /nfs/dbraw/zinc/66/12/51/414661251.db2.gz HNQXAPOEXFGBPF-CQSZACIVSA-N 2 2 295.427 0.818 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1COCCO1 ZINC000661615089 414654236 /nfs/dbraw/zinc/65/42/36/414654236.db2.gz WLXILIBMEJWNOQ-CHWSQXEVSA-N 2 2 260.378 0.035 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1COCCO1 ZINC000661615089 414654238 /nfs/dbraw/zinc/65/42/38/414654238.db2.gz WLXILIBMEJWNOQ-CHWSQXEVSA-N 2 2 260.378 0.035 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)C[C@@H]1COCCO1 ZINC000661615089 414654241 /nfs/dbraw/zinc/65/42/41/414654241.db2.gz WLXILIBMEJWNOQ-CHWSQXEVSA-N 2 2 260.378 0.035 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)C[C@@H]1COCCO1 ZINC000661615089 414654244 /nfs/dbraw/zinc/65/42/44/414654244.db2.gz WLXILIBMEJWNOQ-CHWSQXEVSA-N 2 2 260.378 0.035 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)C[C@H]1COCCO1 ZINC000661615090 414655033 /nfs/dbraw/zinc/65/50/33/414655033.db2.gz WLXILIBMEJWNOQ-OLZOCXBDSA-N 2 2 260.378 0.035 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)C[C@H]1COCCO1 ZINC000661615090 414655034 /nfs/dbraw/zinc/65/50/34/414655034.db2.gz WLXILIBMEJWNOQ-OLZOCXBDSA-N 2 2 260.378 0.035 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)C[C@H]1COCCO1 ZINC000661615090 414655035 /nfs/dbraw/zinc/65/50/35/414655035.db2.gz WLXILIBMEJWNOQ-OLZOCXBDSA-N 2 2 260.378 0.035 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)C[C@H]1COCCO1 ZINC000661615090 414655036 /nfs/dbraw/zinc/65/50/36/414655036.db2.gz WLXILIBMEJWNOQ-OLZOCXBDSA-N 2 2 260.378 0.035 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H]3COC[C@]3(C)C2)CC1 ZINC000661700743 414666015 /nfs/dbraw/zinc/66/60/15/414666015.db2.gz KKXLALZEENAFKM-DZKIICNBSA-N 2 2 295.427 0.507 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@H]3COC[C@]3(C)C2)CC1 ZINC000661700743 414666018 /nfs/dbraw/zinc/66/60/18/414666018.db2.gz KKXLALZEENAFKM-DZKIICNBSA-N 2 2 295.427 0.507 20 0 CCADLP Cc1cc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)nc(C)n1 ZINC000662273161 414703680 /nfs/dbraw/zinc/70/36/80/414703680.db2.gz LYLHHXOYSMEMRF-HNNXBMFYSA-N 2 2 275.400 0.573 20 0 CCADLP CNS(=O)(=O)c1ccc(C[N@H+](C)[C@@H](C[NH3+])C2CC2)cc1 ZINC000662274349 414704059 /nfs/dbraw/zinc/70/40/59/414704059.db2.gz WBPIDJTWHDEJDM-AWEZNQCLSA-N 2 2 297.424 0.764 20 0 CCADLP CNS(=O)(=O)c1ccc(C[N@@H+](C)[C@@H](C[NH3+])C2CC2)cc1 ZINC000662274349 414704060 /nfs/dbraw/zinc/70/40/60/414704060.db2.gz WBPIDJTWHDEJDM-AWEZNQCLSA-N 2 2 297.424 0.764 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000662273593 414704206 /nfs/dbraw/zinc/70/42/06/414704206.db2.gz OYDIPPULRRWDDC-ZIAGYGMSSA-N 3 2 253.390 0.296 20 0 CCADLP c1nnc([C@@H]2CCC[N@@H+](C[C@@H]3C[NH2+]CCO3)C2)n1C1CC1 ZINC000662276713 414704385 /nfs/dbraw/zinc/70/43/85/414704385.db2.gz LITKCEFADBOKHV-OCCSQVGLSA-N 2 2 291.399 0.781 20 0 CCADLP c1nnc([C@@H]2CCC[N@H+](C[C@@H]3C[NH2+]CCO3)C2)n1C1CC1 ZINC000662276713 414704386 /nfs/dbraw/zinc/70/43/86/414704386.db2.gz LITKCEFADBOKHV-OCCSQVGLSA-N 2 2 291.399 0.781 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000662278241 414704539 /nfs/dbraw/zinc/70/45/39/414704539.db2.gz ZOJWOXMSVACYCE-UONOGXRCSA-N 2 2 254.374 0.866 20 0 CCADLP CN1CCC[C@H]([N@@H+]2CC3CCC2(C[NH3+])CC3)C1=O ZINC000662283701 414705763 /nfs/dbraw/zinc/70/57/63/414705763.db2.gz JVKATEYGHKYVQW-LXVYMNJGSA-N 2 2 251.374 0.811 20 0 CCADLP CN1CCC[C@H]([N@H+]2CC3CCC2(C[NH3+])CC3)C1=O ZINC000662283701 414705764 /nfs/dbraw/zinc/70/57/64/414705764.db2.gz JVKATEYGHKYVQW-LXVYMNJGSA-N 2 2 251.374 0.811 20 0 CCADLP Cc1noc(C[N@@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662285114 414706050 /nfs/dbraw/zinc/70/60/50/414706050.db2.gz XAXFXIQZZUJJAD-JTQLQIEISA-N 2 2 252.318 0.331 20 0 CCADLP COc1ccc(NC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)cc1 ZINC000662285556 414706198 /nfs/dbraw/zinc/70/61/98/414706198.db2.gz DEROPHPVFMPCBK-UHFFFAOYSA-N 2 2 293.367 0.338 20 0 CCADLP CNS(=O)(=O)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000662284969 414706249 /nfs/dbraw/zinc/70/62/49/414706249.db2.gz SLGCFBVFGQRFST-WCQYABFASA-N 2 2 297.424 0.906 20 0 CCADLP CNS(=O)(=O)c1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000662284969 414706250 /nfs/dbraw/zinc/70/62/50/414706250.db2.gz SLGCFBVFGQRFST-WCQYABFASA-N 2 2 297.424 0.906 20 0 CCADLP CO[C@@H](C[N@H+](CC[NH3+])C[C@H](O)CO)C1CCCCC1 ZINC000662286633 414706788 /nfs/dbraw/zinc/70/67/88/414706788.db2.gz UNUWRHLURAYFDT-KBPBESRZSA-N 2 2 274.405 0.196 20 0 CCADLP CO[C@@H](C[N@@H+](CC[NH3+])C[C@H](O)CO)C1CCCCC1 ZINC000662286633 414706789 /nfs/dbraw/zinc/70/67/89/414706789.db2.gz UNUWRHLURAYFDT-KBPBESRZSA-N 2 2 274.405 0.196 20 0 CCADLP CC(C)N1CCC[C@H]([N@@H+]2CC3CC2(C[NH3+])C3)C1=O ZINC000662305064 414708550 /nfs/dbraw/zinc/70/85/50/414708550.db2.gz XVLNARWBCHGLJY-LXVYMNJGSA-N 2 2 251.374 0.809 20 0 CCADLP CC(C)N1CCC[C@H]([N@H+]2CC3CC2(C[NH3+])C3)C1=O ZINC000662305064 414708551 /nfs/dbraw/zinc/70/85/51/414708551.db2.gz XVLNARWBCHGLJY-LXVYMNJGSA-N 2 2 251.374 0.809 20 0 CCADLP C[NH+](C)CCC[C@H]1C[N@H+](CC(=O)NCC2CC2)CCO1 ZINC000662321818 414710056 /nfs/dbraw/zinc/71/00/56/414710056.db2.gz JVFNZTJUPHAUEZ-AWEZNQCLSA-N 2 2 283.416 0.555 20 0 CCADLP C[NH+](C)CCC[C@H]1C[N@@H+](CC(=O)NCC2CC2)CCO1 ZINC000662321818 414710057 /nfs/dbraw/zinc/71/00/57/414710057.db2.gz JVFNZTJUPHAUEZ-AWEZNQCLSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@H]1C[N@H+](CCN2CC[NH2+]CC2)C[C@H](CC(F)(F)F)O1 ZINC000662326118 414710379 /nfs/dbraw/zinc/71/03/79/414710379.db2.gz OFUVUPWUYYKVDN-RYUDHWBXSA-N 2 2 295.349 0.933 20 0 CCADLP C[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)C[C@H](CC(F)(F)F)O1 ZINC000662326118 414710380 /nfs/dbraw/zinc/71/03/80/414710380.db2.gz OFUVUPWUYYKVDN-RYUDHWBXSA-N 2 2 295.349 0.933 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](CCN1CCOCC1)CC1CC1 ZINC000661970386 414685565 /nfs/dbraw/zinc/68/55/65/414685565.db2.gz QKPQGAZCQJZYCT-INIZCTEOSA-N 2 2 299.459 0.343 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](CCN1CCOCC1)CC1CC1 ZINC000661970386 414685566 /nfs/dbraw/zinc/68/55/66/414685566.db2.gz QKPQGAZCQJZYCT-INIZCTEOSA-N 2 2 299.459 0.343 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](CCN1CCOCC1)CC1CC1 ZINC000661970386 414685567 /nfs/dbraw/zinc/68/55/67/414685567.db2.gz QKPQGAZCQJZYCT-INIZCTEOSA-N 2 2 299.459 0.343 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](CCN1CCOCC1)CC1CC1 ZINC000661970386 414685568 /nfs/dbraw/zinc/68/55/68/414685568.db2.gz QKPQGAZCQJZYCT-INIZCTEOSA-N 2 2 299.459 0.343 20 0 CCADLP CN(C)C(=O)N(C)[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000662008363 414686379 /nfs/dbraw/zinc/68/63/79/414686379.db2.gz NCULMNZQMTUZGO-KGLIPLIRSA-N 2 2 298.431 0.129 20 0 CCADLP CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000662008363 414686380 /nfs/dbraw/zinc/68/63/80/414686380.db2.gz NCULMNZQMTUZGO-KGLIPLIRSA-N 2 2 298.431 0.129 20 0 CCADLP CN(C)C(=O)N(C)[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000662008363 414686381 /nfs/dbraw/zinc/68/63/81/414686381.db2.gz NCULMNZQMTUZGO-KGLIPLIRSA-N 2 2 298.431 0.129 20 0 CCADLP CN(C)C(=O)N(C)[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000662008363 414686382 /nfs/dbraw/zinc/68/63/82/414686382.db2.gz NCULMNZQMTUZGO-KGLIPLIRSA-N 2 2 298.431 0.129 20 0 CCADLP CCN1CC[C@H]([NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)C1=O ZINC000662147775 414693079 /nfs/dbraw/zinc/69/30/79/414693079.db2.gz GEHWSXZMCVXBTG-KBPBESRZSA-N 2 2 281.400 0.138 20 0 CCADLP CCN1CC[C@H]([NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)C1=O ZINC000662147775 414693080 /nfs/dbraw/zinc/69/30/80/414693080.db2.gz GEHWSXZMCVXBTG-KBPBESRZSA-N 2 2 281.400 0.138 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cc(C2CC2)no1 ZINC000662237451 414698600 /nfs/dbraw/zinc/69/86/00/414698600.db2.gz KIRFMJKEYYIOFW-UHFFFAOYSA-N 2 2 278.356 0.416 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cc(C2CC2)no1 ZINC000662237451 414698601 /nfs/dbraw/zinc/69/86/01/414698601.db2.gz KIRFMJKEYYIOFW-UHFFFAOYSA-N 2 2 278.356 0.416 20 0 CCADLP C[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@H]1C[NH2+]CCO1 ZINC000662251602 414699252 /nfs/dbraw/zinc/69/92/52/414699252.db2.gz GFKGFPZEHYORKF-UKRRQHHQSA-N 2 2 264.369 0.858 20 0 CCADLP C[C@@H](O)C[N@H+](Cc1ccccc1)C[C@H]1C[NH2+]CCO1 ZINC000662251602 414699253 /nfs/dbraw/zinc/69/92/53/414699253.db2.gz GFKGFPZEHYORKF-UKRRQHHQSA-N 2 2 264.369 0.858 20 0 CCADLP CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662256965 414700545 /nfs/dbraw/zinc/70/05/45/414700545.db2.gz KUNUYDVDRXPPAT-KBPBESRZSA-N 2 2 297.443 0.849 20 0 CCADLP CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662256965 414700546 /nfs/dbraw/zinc/70/05/46/414700546.db2.gz KUNUYDVDRXPPAT-KBPBESRZSA-N 2 2 297.443 0.849 20 0 CCADLP c1c[nH+]c([C@H]2CCCN(C[C@@H]3C[NH2+]CCO3)C2)[nH]1 ZINC000662259970 414700961 /nfs/dbraw/zinc/70/09/61/414700961.db2.gz FMWXZEGTKZRURS-RYUDHWBXSA-N 2 2 250.346 0.578 20 0 CCADLP O=C(c1c[nH]nc1[C@H]1CC[NH2+]C1)N1CC[NH+](C2CC2)CC1 ZINC000662417628 414716378 /nfs/dbraw/zinc/71/63/78/414716378.db2.gz MAWLGUBMLVZFAW-NSHDSACASA-N 2 2 289.383 0.407 20 0 CCADLP O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CC[NH+](C2CC2)CC1 ZINC000662417627 414716493 /nfs/dbraw/zinc/71/64/93/414716493.db2.gz MAWLGUBMLVZFAW-LLVKDONJSA-N 2 2 289.383 0.407 20 0 CCADLP CC(C)[NH2+]CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662458614 414720265 /nfs/dbraw/zinc/72/02/65/414720265.db2.gz ZRCILXFHCMNOIC-CYBMUJFWSA-N 3 2 282.432 0.269 20 0 CCADLP CC(C)[NH2+]CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662458614 414720266 /nfs/dbraw/zinc/72/02/66/414720266.db2.gz ZRCILXFHCMNOIC-CYBMUJFWSA-N 3 2 282.432 0.269 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662458597 414720544 /nfs/dbraw/zinc/72/05/44/414720544.db2.gz YOHWBISBXGHWMU-GXTWGEPZSA-N 3 2 282.432 0.269 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662458597 414720545 /nfs/dbraw/zinc/72/05/45/414720545.db2.gz YOHWBISBXGHWMU-GXTWGEPZSA-N 3 2 282.432 0.269 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000662506297 414724048 /nfs/dbraw/zinc/72/40/48/414724048.db2.gz IBYRGVOYDVATCA-VXGBXAGGSA-N 2 2 262.357 0.775 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662586174 414730456 /nfs/dbraw/zinc/73/04/56/414730456.db2.gz GTMVHRUXZYGPJL-CABCVRRESA-N 3 2 296.459 0.504 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]([NH3+])c2ccccc2)[C@H](C)CO1 ZINC000662631589 414734854 /nfs/dbraw/zinc/73/48/54/414734854.db2.gz UCXWULXYKARYOH-NFAWXSAZSA-N 2 2 291.395 0.912 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]([NH3+])c2ccccc2)[C@H](C)CO1 ZINC000662631589 414734855 /nfs/dbraw/zinc/73/48/55/414734855.db2.gz UCXWULXYKARYOH-NFAWXSAZSA-N 2 2 291.395 0.912 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1C[C@]2(C)COC[C@]2(C)C1 ZINC000662639231 414736227 /nfs/dbraw/zinc/73/62/27/414736227.db2.gz JUFPWAZVWKIWTF-BNOWGMLFSA-N 2 2 269.389 0.150 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662654449 414737434 /nfs/dbraw/zinc/73/74/34/414737434.db2.gz CSPMMWCSHBTZJU-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)C1(O)C[NH2+]C1 ZINC000662662836 414738497 /nfs/dbraw/zinc/73/84/97/414738497.db2.gz IRQOOSOEMPGHHO-UHFFFAOYSA-N 2 2 296.396 0.402 20 0 CCADLP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000662665447 414738752 /nfs/dbraw/zinc/73/87/52/414738752.db2.gz KLPKRONUDHXLKS-KGLIPLIRSA-N 2 2 299.415 0.062 20 0 CCADLP COCC[NH+]1CCN(C(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662669184 414739201 /nfs/dbraw/zinc/73/92/01/414739201.db2.gz AVJIFQAVAAOPNX-UHFFFAOYSA-N 2 2 281.400 0.452 20 0 CCADLP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCCCNc1cccc[nH+]1 ZINC000662682228 414740401 /nfs/dbraw/zinc/74/04/01/414740401.db2.gz OXCWZCUBDUARMF-NWDGAFQWSA-N 2 2 278.356 0.364 20 0 CCADLP [NH3+]C[C@@H]1OCC[C@H]1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000662734356 414747952 /nfs/dbraw/zinc/74/79/52/414747952.db2.gz FUNYETJVQSCSPY-MNOVXSKESA-N 2 2 260.297 0.637 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3C[C@H]([NH3+])C3)C2)CC1 ZINC000662735343 414749585 /nfs/dbraw/zinc/74/95/85/414749585.db2.gz NBSOQHWJUCOJNR-AVGNSLFASA-N 3 2 280.416 0.008 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3C[C@H]([NH3+])C3)C2)CC1 ZINC000662735343 414749588 /nfs/dbraw/zinc/74/95/88/414749588.db2.gz NBSOQHWJUCOJNR-AVGNSLFASA-N 3 2 280.416 0.008 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2[NH2+]CCCC2(C)C)[C@@H](C)CO1 ZINC000662859475 414850813 /nfs/dbraw/zinc/85/08/13/414850813.db2.gz NGEMDUWTFUNYRR-MJBXVCDLSA-N 2 2 297.443 0.990 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2[NH2+]CCCC2(C)C)[C@@H](C)CO1 ZINC000662859475 414850819 /nfs/dbraw/zinc/85/08/19/414850819.db2.gz NGEMDUWTFUNYRR-MJBXVCDLSA-N 2 2 297.443 0.990 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000662969720 414922144 /nfs/dbraw/zinc/92/21/44/414922144.db2.gz PUJXABPJNRKPSB-SNVBAGLBSA-N 2 2 250.346 0.486 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662980823 414932502 /nfs/dbraw/zinc/93/25/02/414932502.db2.gz QCYZEKSGYUHLCL-BMFZPTHFSA-N 2 2 295.427 0.685 20 0 CCADLP Nc1nc(-n2cccn2)cc(N2CC[C@@H](F)[C@H]([NH3+])C2)[nH+]1 ZINC000663276595 415035244 /nfs/dbraw/zinc/03/52/44/415035244.db2.gz DTQSAJBMQQKJKJ-RKDXNWHRSA-N 2 2 277.307 0.120 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC1CCC1 ZINC000663706500 415114826 /nfs/dbraw/zinc/11/48/26/415114826.db2.gz BJYYHIOGAQXQKZ-UHFFFAOYSA-N 2 2 270.421 0.969 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC1CCC1 ZINC000663706500 415114831 /nfs/dbraw/zinc/11/48/31/415114831.db2.gz BJYYHIOGAQXQKZ-UHFFFAOYSA-N 2 2 270.421 0.969 20 0 CCADLP COc1ccccc1CNC(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044530692 175195025 /nfs/dbraw/zinc/19/50/25/175195025.db2.gz RKKNYSHPKFEXSS-CYBMUJFWSA-N 2 2 291.395 0.982 20 0 CCADLP COc1ccccc1CNC(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044530692 175195026 /nfs/dbraw/zinc/19/50/26/175195026.db2.gz RKKNYSHPKFEXSS-CYBMUJFWSA-N 2 2 291.395 0.982 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000044753348 175245637 /nfs/dbraw/zinc/24/56/37/175245637.db2.gz SELFBYSSERFKRQ-UHFFFAOYSA-N 2 2 257.378 0.200 20 0 CCADLP Cc1nc(N(C)C)nc(NCC[C@H](C)[NH+](C)C)[nH+]1 ZINC000664242391 415294686 /nfs/dbraw/zinc/29/46/86/415294686.db2.gz CKOUSTBUYMETMR-VIFPVBQESA-N 2 2 252.366 0.998 20 0 CCADLP Cc1nc(NCC[C@H](C)[NH+](C)C)nc(N(C)C)[nH+]1 ZINC000664242391 415294691 /nfs/dbraw/zinc/29/46/91/415294691.db2.gz CKOUSTBUYMETMR-VIFPVBQESA-N 2 2 252.366 0.998 20 0 CCADLP C[C@@H](CCNc1nc2c(cnn2C)c(N)[nH+]1)[NH+](C)C ZINC000664243432 415298440 /nfs/dbraw/zinc/29/84/40/415298440.db2.gz FSKJOKPGKDTKIF-QMMMGPOBSA-N 2 2 263.349 0.698 20 0 CCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)c1ccc[nH]1 ZINC000664314133 415341885 /nfs/dbraw/zinc/34/18/85/415341885.db2.gz HADLZZAMHGWWGS-LBPRGKRZSA-N 2 2 294.399 0.586 20 0 CCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)c1ccc[nH]1 ZINC000664314133 415341890 /nfs/dbraw/zinc/34/18/90/415341890.db2.gz HADLZZAMHGWWGS-LBPRGKRZSA-N 2 2 294.399 0.586 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccncc1 ZINC000664333226 415348822 /nfs/dbraw/zinc/34/88/22/415348822.db2.gz IXGXZCRCYYNJSX-UHFFFAOYSA-N 2 2 279.388 0.509 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccncc1 ZINC000664333226 415348825 /nfs/dbraw/zinc/34/88/25/415348825.db2.gz IXGXZCRCYYNJSX-UHFFFAOYSA-N 2 2 279.388 0.509 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000664771984 415466565 /nfs/dbraw/zinc/46/65/65/415466565.db2.gz BVJBXSCLBMNCCZ-WDNDVIMCSA-N 2 2 282.432 0.968 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000664771984 415466570 /nfs/dbraw/zinc/46/65/70/415466570.db2.gz BVJBXSCLBMNCCZ-WDNDVIMCSA-N 2 2 282.432 0.968 20 0 CCADLP CO[C@H](C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)[C@@H]1CCOC1 ZINC000665234354 415572259 /nfs/dbraw/zinc/57/22/59/415572259.db2.gz BRUQCVFUNKQRGE-APIJFGDWSA-N 2 2 284.400 0.395 20 0 CCADLP COC[C@H](CC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)OC ZINC000665235098 415572270 /nfs/dbraw/zinc/57/22/70/415572270.db2.gz POGUGVZMNIJIHA-BFHYXJOUSA-N 2 2 272.389 0.395 20 0 CCADLP COC[C@H](CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)OC ZINC000665235101 415573807 /nfs/dbraw/zinc/57/38/07/415573807.db2.gz POGUGVZMNIJIHA-MJBXVCDLSA-N 2 2 272.389 0.395 20 0 CCADLP NC(=O)c1csc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000665273031 415584208 /nfs/dbraw/zinc/58/42/08/415584208.db2.gz PEPQRVXMYRJPRU-RKDXNWHRSA-N 2 2 268.386 0.849 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2C)C1 ZINC000071147189 176043342 /nfs/dbraw/zinc/04/33/42/176043342.db2.gz GYGPOYVTWQNAQJ-CHWSQXEVSA-N 2 2 253.390 0.929 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@H]2C)C1 ZINC000071147189 176043344 /nfs/dbraw/zinc/04/33/44/176043344.db2.gz GYGPOYVTWQNAQJ-CHWSQXEVSA-N 2 2 253.390 0.929 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2)C1 ZINC000071147702 176044023 /nfs/dbraw/zinc/04/40/23/176044023.db2.gz JHKJNOKOSBGRQJ-AWEZNQCLSA-N 2 2 261.369 0.844 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2)C1 ZINC000071147702 176044024 /nfs/dbraw/zinc/04/40/24/176044024.db2.gz JHKJNOKOSBGRQJ-AWEZNQCLSA-N 2 2 261.369 0.844 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000353441997 287318021 /nfs/dbraw/zinc/31/80/21/287318021.db2.gz GCJHHZKCKHUKFA-STQMWFEESA-N 2 2 283.416 0.602 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000353441997 287318023 /nfs/dbraw/zinc/31/80/23/287318023.db2.gz GCJHHZKCKHUKFA-STQMWFEESA-N 2 2 283.416 0.602 20 0 CCADLP O=C(NCC[NH+]1CCCC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000665532069 416449318 /nfs/dbraw/zinc/44/93/18/416449318.db2.gz ZLKCFEMMXOSXTF-LLVKDONJSA-N 2 2 262.357 0.727 20 0 CCADLP O=C(NCC[NH+]1CCCC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000665532069 416449322 /nfs/dbraw/zinc/44/93/22/416449322.db2.gz ZLKCFEMMXOSXTF-LLVKDONJSA-N 2 2 262.357 0.727 20 0 CCADLP C[C@H](NC(=O)CC1CC[NH+](C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000362726060 299043158 /nfs/dbraw/zinc/04/31/58/299043158.db2.gz TYGOSIBCTUWHPH-KBPBESRZSA-N 2 2 297.443 0.944 20 0 CCADLP CCn1c[nH+]cc1CN1CC[N@H+](C)C[C@H](C(=O)OC)C1 ZINC000418092983 228029314 /nfs/dbraw/zinc/02/93/14/228029314.db2.gz RZKYGSJVJASRHA-LBPRGKRZSA-N 2 2 280.372 0.440 20 0 CCADLP CCn1c[nH+]cc1CN1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC000418092983 228029316 /nfs/dbraw/zinc/02/93/16/228029316.db2.gz RZKYGSJVJASRHA-LBPRGKRZSA-N 2 2 280.372 0.440 20 0 CCADLP CC(C)[NH2+]CC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000037799562 544423949 /nfs/dbraw/zinc/42/39/49/544423949.db2.gz RFSJLRVZFUKSKB-ZDUSSCGKSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc(C[NH3+])o1 ZINC000094565893 544546287 /nfs/dbraw/zinc/54/62/87/544546287.db2.gz IURXGRJAGNVAIS-JTQLQIEISA-N 2 2 267.329 0.189 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@](C)(CO)c2ccccc2)CC1 ZINC000128165605 544609802 /nfs/dbraw/zinc/60/98/02/544609802.db2.gz UDOPOFHKXHPHIO-INIZCTEOSA-N 2 2 291.395 0.258 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]C2CCSCC2)CC1 ZINC000133374590 544625206 /nfs/dbraw/zinc/62/52/06/544625206.db2.gz YCDSBJBNOJPCLK-UHFFFAOYSA-N 2 2 257.403 0.246 20 0 CCADLP C[C@@H](C(=O)N1CCC([NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000169819772 544733718 /nfs/dbraw/zinc/73/37/18/544733718.db2.gz XNSCXQQMFJONDU-LBPRGKRZSA-N 2 2 269.389 0.260 20 0 CCADLP O[C@H](CNCC[NH+]1CCSCC1)C[NH+]1CCCC1 ZINC000230936220 544858958 /nfs/dbraw/zinc/85/89/58/544858958.db2.gz MYMWEPUDNVSWNC-CYBMUJFWSA-N 2 2 273.446 0.082 20 0 CCADLP Cc1cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])nnc1C ZINC000520541455 420392356 /nfs/dbraw/zinc/39/23/56/420392356.db2.gz LWGMGRKWAUFUGU-NSHDSACASA-N 2 2 278.360 0.200 20 0 CCADLP Cc1cc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])nnc1C ZINC000520541455 420392360 /nfs/dbraw/zinc/39/23/60/420392360.db2.gz LWGMGRKWAUFUGU-NSHDSACASA-N 2 2 278.360 0.200 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCCCS1(=O)=O ZINC000333315492 287625708 /nfs/dbraw/zinc/62/57/08/287625708.db2.gz SRJHKOASBQJKKL-WOPDTQHZSA-N 2 2 260.403 0.541 20 0 CCADLP C[C@@H](C(=O)NCc1c[nH+]cn1C)[NH+]1CCSCC1 ZINC000291343034 544972354 /nfs/dbraw/zinc/97/23/54/544972354.db2.gz WTDRLMATYANFEB-JTQLQIEISA-N 2 2 268.386 0.474 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000333729216 545042496 /nfs/dbraw/zinc/04/24/96/545042496.db2.gz HODSQHKDQLJBEJ-FRRDWIJNSA-N 2 2 284.404 0.147 20 0 CCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000333765256 545042630 /nfs/dbraw/zinc/04/26/30/545042630.db2.gz BEUFEZPVHJJLKE-MJBXVCDLSA-N 2 2 296.415 0.243 20 0 CCADLP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000305837543 545009297 /nfs/dbraw/zinc/00/92/97/545009297.db2.gz QAMFQHXWMJRSBX-PWSUYJOCSA-N 2 2 252.362 0.825 20 0 CCADLP CC[N@@H+]1CCCN(C[C@H](O)C[NH+]2CCOCC2)[C@H](C)C1 ZINC000320351509 545016376 /nfs/dbraw/zinc/01/63/76/545016376.db2.gz PZCUWSFIFWLEDB-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP CC[N@H+]1CCCN(C[C@H](O)C[NH+]2CCOCC2)[C@H](C)C1 ZINC000320351509 545016377 /nfs/dbraw/zinc/01/63/77/545016377.db2.gz PZCUWSFIFWLEDB-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[NH+]1CCOCC1 ZINC000333938981 545044727 /nfs/dbraw/zinc/04/47/27/545044727.db2.gz MXGGRKNDKRYWIH-JHJVBQTASA-N 2 2 284.404 0.004 20 0 CCADLP CC(C)[C@H](C(=O)NCC[NH+]1CCOCC1)[C@H](C)[NH3+] ZINC000399468277 269767241 /nfs/dbraw/zinc/76/72/41/269767241.db2.gz XVOSBPSUDKENME-RYUDHWBXSA-N 2 2 257.378 0.054 20 0 CCADLP CC[NH+](CC)CCCN(C)CC[NH+]1CCOCC1 ZINC000171940751 335085804 /nfs/dbraw/zinc/08/58/04/335085804.db2.gz KYEKXEZPYGQIHO-UHFFFAOYSA-N 2 2 257.422 0.982 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2[C@H]3C[N@H+](CCF)C[C@H]32)c[nH+]1 ZINC000960536467 649855508 /nfs/dbraw/zinc/85/55/08/649855508.db2.gz KKUWNAQGOWECIM-ITGUQSILSA-N 2 2 294.374 0.943 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2[C@H]3C[N@@H+](CCF)C[C@H]32)c[nH+]1 ZINC000960536467 649855509 /nfs/dbraw/zinc/85/55/09/649855509.db2.gz KKUWNAQGOWECIM-ITGUQSILSA-N 2 2 294.374 0.943 20 0 CCADLP O=C(N[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21)c1ccn2c[nH+]cc2c1 ZINC000960839019 649860068 /nfs/dbraw/zinc/86/00/68/649860068.db2.gz REPDXVNJYIVXQB-WDNDVIMCSA-N 2 2 288.326 0.964 20 0 CCADLP O=C(N[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21)c1ccn2c[nH+]cc2c1 ZINC000960839019 649860069 /nfs/dbraw/zinc/86/00/69/649860069.db2.gz REPDXVNJYIVXQB-WDNDVIMCSA-N 2 2 288.326 0.964 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000518995761 265285098 /nfs/dbraw/zinc/28/50/98/265285098.db2.gz IFNIZHFISWATOR-RYUDHWBXSA-N 2 2 298.349 0.934 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000518995761 265285099 /nfs/dbraw/zinc/28/50/99/265285099.db2.gz IFNIZHFISWATOR-RYUDHWBXSA-N 2 2 298.349 0.934 20 0 CCADLP COCC[C@H](C)C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000519141586 265331358 /nfs/dbraw/zinc/33/13/58/265331358.db2.gz MPRHEVLWUURZAF-XQLPTFJDSA-N 2 2 288.432 0.719 20 0 CCADLP COCC[C@H](C)C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000519141586 265331360 /nfs/dbraw/zinc/33/13/60/265331360.db2.gz MPRHEVLWUURZAF-XQLPTFJDSA-N 2 2 288.432 0.719 20 0 CCADLP C[C@@H](CC(=O)NCC[C@H]1CC[NH2+]C1)n1cc[nH+]c1 ZINC000519172980 265357560 /nfs/dbraw/zinc/35/75/60/265357560.db2.gz AZAXREWXZZZKSX-NWDGAFQWSA-N 2 2 250.346 0.950 20 0 CCADLP c1nc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cs1 ZINC000257740715 275075445 /nfs/dbraw/zinc/07/54/45/275075445.db2.gz SLMQWEGTTWLYLF-LBPRGKRZSA-N 2 2 252.387 0.623 20 0 CCADLP c1nc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cs1 ZINC000257740715 275075446 /nfs/dbraw/zinc/07/54/46/275075446.db2.gz SLMQWEGTTWLYLF-LBPRGKRZSA-N 2 2 252.387 0.623 20 0 CCADLP CC1(C)CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC[NH2+]1 ZINC000334302090 275840000 /nfs/dbraw/zinc/84/00/00/275840000.db2.gz ZMBNLAOBMHRFDA-LLVKDONJSA-N 2 2 262.357 0.656 20 0 CCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC000516770809 276008415 /nfs/dbraw/zinc/00/84/15/276008415.db2.gz NZWQQXGOXHSDDG-DGCLKSJQSA-N 2 2 257.378 0.245 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000423878489 276016255 /nfs/dbraw/zinc/01/62/55/276016255.db2.gz URCYIISAJUBEHU-STQMWFEESA-N 2 2 293.415 0.466 20 0 CCADLP CC[NH+](CC)CCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000429976314 276326904 /nfs/dbraw/zinc/32/69/04/276326904.db2.gz RYKLINDUANBKIQ-LBPRGKRZSA-N 2 2 279.388 0.839 20 0 CCADLP CC[N@H+](CC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+])C1CC1 ZINC000422879846 276349073 /nfs/dbraw/zinc/34/90/73/276349073.db2.gz MVTFJRLPDWQUQB-FPMFFAJLSA-N 3 2 255.406 0.813 20 0 CCADLP CC[N@@H+](CC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+])C1CC1 ZINC000422879846 276349075 /nfs/dbraw/zinc/34/90/75/276349075.db2.gz MVTFJRLPDWQUQB-FPMFFAJLSA-N 3 2 255.406 0.813 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2cc[nH]n2)CC1 ZINC000360898803 545081678 /nfs/dbraw/zinc/08/16/78/545081678.db2.gz YEDHOMKEWOKLJQ-UHFFFAOYSA-N 2 2 279.388 0.094 20 0 CCADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)NC3CC3)CC[C@@H]21 ZINC000158527038 277083735 /nfs/dbraw/zinc/08/37/35/277083735.db2.gz APWUVOGELQOPPD-AAEUAGOBSA-N 2 2 251.374 0.681 20 0 CCADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)NC3CC3)CC[C@@H]21 ZINC000158527038 277083736 /nfs/dbraw/zinc/08/37/36/277083736.db2.gz APWUVOGELQOPPD-AAEUAGOBSA-N 2 2 251.374 0.681 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)NC3CC3)CC[C@@H]21 ZINC000158527038 277083738 /nfs/dbraw/zinc/08/37/38/277083738.db2.gz APWUVOGELQOPPD-AAEUAGOBSA-N 2 2 251.374 0.681 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)NC3CC3)CC[C@@H]21 ZINC000158527038 277083739 /nfs/dbraw/zinc/08/37/39/277083739.db2.gz APWUVOGELQOPPD-AAEUAGOBSA-N 2 2 251.374 0.681 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000331738278 277184172 /nfs/dbraw/zinc/18/41/72/277184172.db2.gz WDVHYZVDBQFPSC-ZNMIVQPWSA-N 3 2 261.369 0.787 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000331738278 277184173 /nfs/dbraw/zinc/18/41/73/277184173.db2.gz WDVHYZVDBQFPSC-ZNMIVQPWSA-N 3 2 261.369 0.787 20 0 CCADLP CO[C@H](C[NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000227342309 277327931 /nfs/dbraw/zinc/32/79/31/277327931.db2.gz HHKANGIMXFKWDZ-ZIAGYGMSSA-N 2 2 277.368 0.475 20 0 CCADLP CO[C@H](C[NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000227342309 277327932 /nfs/dbraw/zinc/32/79/32/277327932.db2.gz HHKANGIMXFKWDZ-ZIAGYGMSSA-N 2 2 277.368 0.475 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCN1CCSCC1 ZINC000230931880 277592430 /nfs/dbraw/zinc/59/24/30/277592430.db2.gz OADNTNAGYFPYJA-STQMWFEESA-N 2 2 273.446 0.392 20 0 CCADLP C[C@@]1(F)C[NH2+]CCN(C(=O)c2coc(C[NH3+])c2)C1 ZINC000335341585 278125976 /nfs/dbraw/zinc/12/59/76/278125976.db2.gz MQNIRQVQONMUCE-GFCCVEGCSA-N 2 2 255.293 0.512 20 0 CCADLP C[C@@H](CC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C)n1cc[nH+]c1 ZINC000516076369 278221470 /nfs/dbraw/zinc/22/14/70/278221470.db2.gz PNOFXFINJBLMLW-MJBXVCDLSA-N 2 2 294.399 0.748 20 0 CCADLP C[C@@H](CC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C)n1cc[nH+]c1 ZINC000516076369 278221471 /nfs/dbraw/zinc/22/14/71/278221471.db2.gz PNOFXFINJBLMLW-MJBXVCDLSA-N 2 2 294.399 0.748 20 0 CCADLP CC(=O)[C@@H](NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C)C(C)C ZINC000420316612 278225412 /nfs/dbraw/zinc/22/54/12/278225412.db2.gz MSGJWJIANPCVMI-UONOGXRCSA-N 2 2 271.405 0.679 20 0 CCADLP CC(=O)[C@H](NC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)C(C)C ZINC000420371454 278236553 /nfs/dbraw/zinc/23/65/53/278236553.db2.gz PLTISASWRLTFIC-BAESOJJISA-N 2 2 283.416 0.692 20 0 CCADLP CC(=O)[C@](C)(O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000451073406 278239037 /nfs/dbraw/zinc/23/90/37/278239037.db2.gz ZVZXYEUCGUXDLG-KGLIPLIRSA-N 2 2 254.374 0.744 20 0 CCADLP CC(=O)[C@](C)(O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000451073406 278239038 /nfs/dbraw/zinc/23/90/38/278239038.db2.gz ZVZXYEUCGUXDLG-KGLIPLIRSA-N 2 2 254.374 0.744 20 0 CCADLP CC(=O)[C@](C)(O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000451073406 278239040 /nfs/dbraw/zinc/23/90/40/278239040.db2.gz ZVZXYEUCGUXDLG-KGLIPLIRSA-N 2 2 254.374 0.744 20 0 CCADLP CC(=O)[C@](C)(O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000451073406 278239041 /nfs/dbraw/zinc/23/90/41/278239041.db2.gz ZVZXYEUCGUXDLG-KGLIPLIRSA-N 2 2 254.374 0.744 20 0 CCADLP CC1(C)CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC[NH2+]1 ZINC000423704916 278318164 /nfs/dbraw/zinc/31/81/64/278318164.db2.gz GGOHVYHDCYMMPZ-CQSZACIVSA-N 2 2 295.427 0.698 20 0 CCADLP CC1(C)CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC[NH2+]1 ZINC000423704916 278318165 /nfs/dbraw/zinc/31/81/65/278318165.db2.gz GGOHVYHDCYMMPZ-CQSZACIVSA-N 2 2 295.427 0.698 20 0 CCADLP Cc1cc(N2CC[C@@H]([NH2+]CC3([NH3+])CCC3)C2=O)n(C)n1 ZINC000342142136 278714470 /nfs/dbraw/zinc/71/44/70/278714470.db2.gz RYSQWNVXPNLGJB-LLVKDONJSA-N 2 2 277.372 0.305 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423404629 288091515 /nfs/dbraw/zinc/09/15/15/288091515.db2.gz ZXWGGRWXWAYMSX-WOPDTQHZSA-N 3 2 294.365 0.362 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423404629 288091518 /nfs/dbraw/zinc/09/15/18/288091518.db2.gz ZXWGGRWXWAYMSX-WOPDTQHZSA-N 3 2 294.365 0.362 20 0 CCADLP CC[N@H+](CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C1CC1 ZINC000132949475 279050715 /nfs/dbraw/zinc/05/07/15/279050715.db2.gz RGZFSRXDBSGNNA-HNNXBMFYSA-N 2 2 295.427 0.794 20 0 CCADLP CC[N@@H+](CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C1CC1 ZINC000132949475 279050718 /nfs/dbraw/zinc/05/07/18/279050718.db2.gz RGZFSRXDBSGNNA-HNNXBMFYSA-N 2 2 295.427 0.794 20 0 CCADLP Cc1nc(N2C[C@@H]3C[NH+](C)C[C@H]3C2)nc(N(C)C)[nH+]1 ZINC000362672987 279088519 /nfs/dbraw/zinc/08/85/19/279088519.db2.gz NJLCUFRDEMXMNR-QWRGUYRKSA-N 2 2 262.361 0.244 20 0 CCADLP Cc1nc(N2C[C@H]3C[NH+](C)C[C@@H]3C2)nc(N(C)C)[nH+]1 ZINC000362672981 279088610 /nfs/dbraw/zinc/08/86/10/279088610.db2.gz NJLCUFRDEMXMNR-GHMZBOCLSA-N 2 2 262.361 0.244 20 0 CCADLP C[C@@H]1[C@@H]([NH+]2CCOCC2)CCN1CC[N@@H+]1CCCOCC1 ZINC000361382825 279089341 /nfs/dbraw/zinc/08/93/41/279089341.db2.gz XQVKYGBCLFBIJA-CVEARBPZSA-N 2 2 297.443 0.504 20 0 CCADLP C[C@@H]1[C@@H]([NH+]2CCOCC2)CCN1CC[N@H+]1CCCOCC1 ZINC000361382825 279089342 /nfs/dbraw/zinc/08/93/42/279089342.db2.gz XQVKYGBCLFBIJA-CVEARBPZSA-N 2 2 297.443 0.504 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000422752099 279314399 /nfs/dbraw/zinc/31/43/99/279314399.db2.gz GWNCALBQMYKZID-REWJHTLYSA-N 3 2 255.406 0.813 20 0 CCADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000422752099 279314402 /nfs/dbraw/zinc/31/44/02/279314402.db2.gz GWNCALBQMYKZID-REWJHTLYSA-N 3 2 255.406 0.813 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000423761127 280236712 /nfs/dbraw/zinc/23/67/12/280236712.db2.gz RBYPUFXXSXRDLN-STQMWFEESA-N 2 2 269.389 0.197 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000423761127 280236713 /nfs/dbraw/zinc/23/67/13/280236713.db2.gz RBYPUFXXSXRDLN-STQMWFEESA-N 2 2 269.389 0.197 20 0 CCADLP CC[C@H]1CN(C(=O)[C@H]2CSC[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000423873121 281144701 /nfs/dbraw/zinc/14/47/01/281144701.db2.gz LAUCXLFKPPVJKO-XQQFMLRXSA-N 2 2 299.440 0.218 20 0 CCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577264 282001252 /nfs/dbraw/zinc/00/12/52/282001252.db2.gz OSHJRGWWNULUGO-UTUOFQBUSA-N 2 2 253.390 0.831 20 0 CCADLP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577264 282001255 /nfs/dbraw/zinc/00/12/55/282001255.db2.gz OSHJRGWWNULUGO-UTUOFQBUSA-N 2 2 253.390 0.831 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC(=O)N1CCCC1 ZINC000374419844 289333426 /nfs/dbraw/zinc/33/34/26/289333426.db2.gz JEESKXCXPPXIQK-ILXRZTDVSA-N 2 2 295.427 0.792 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC(=O)N1CCCC1 ZINC000374419844 289333429 /nfs/dbraw/zinc/33/34/29/289333429.db2.gz JEESKXCXPPXIQK-ILXRZTDVSA-N 2 2 295.427 0.792 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000493971617 290034893 /nfs/dbraw/zinc/03/48/93/290034893.db2.gz YKQVEYXIFNXJQA-LJISPDSOSA-N 2 2 279.428 0.779 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000493971617 290034894 /nfs/dbraw/zinc/03/48/94/290034894.db2.gz YKQVEYXIFNXJQA-LJISPDSOSA-N 2 2 279.428 0.779 20 0 CCADLP C[N@@H+]1CC[C@@H]([NH2+]CCC(=O)NC(N)=O)[C@H]1c1ccccc1 ZINC000411698791 290145750 /nfs/dbraw/zinc/14/57/50/290145750.db2.gz UQYRJSWHQSXMJE-TZMCWYRMSA-N 2 2 290.367 0.606 20 0 CCADLP C[N@H+]1CC[C@@H]([NH2+]CCC(=O)NC(N)=O)[C@H]1c1ccccc1 ZINC000411698791 290145753 /nfs/dbraw/zinc/14/57/53/290145753.db2.gz UQYRJSWHQSXMJE-TZMCWYRMSA-N 2 2 290.367 0.606 20 0 CCADLP CNC(=O)C[C@H](C)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000341979680 290456141 /nfs/dbraw/zinc/45/61/41/290456141.db2.gz PNCRNTZZYLLDRD-NSHDSACASA-N 2 2 257.378 0.211 20 0 CCADLP COC[C@](C)(O)CC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000449384725 293262846 /nfs/dbraw/zinc/26/28/46/293262846.db2.gz OEQGGNCNMIUIPR-FPMFFAJLSA-N 2 2 256.390 0.846 20 0 CCADLP COC[C@](C)(O)CC[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000449384725 293262849 /nfs/dbraw/zinc/26/28/49/293262849.db2.gz OEQGGNCNMIUIPR-FPMFFAJLSA-N 2 2 256.390 0.846 20 0 CCADLP CO[C@H](C)C[N@H+](C)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496559452 294265545 /nfs/dbraw/zinc/26/55/45/294265545.db2.gz QINOAYAPMCNIKF-DOMZBBRYSA-N 2 2 297.399 0.827 20 0 CCADLP CO[C@H](C)C[N@@H+](C)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496559452 294265547 /nfs/dbraw/zinc/26/55/47/294265547.db2.gz QINOAYAPMCNIKF-DOMZBBRYSA-N 2 2 297.399 0.827 20 0 CCADLP [NH3+]CCNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000158705698 295233997 /nfs/dbraw/zinc/23/39/97/295233997.db2.gz JYVXBBQQVBXEIS-CYBMUJFWSA-N 2 2 279.409 0.851 20 0 CCADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC000422944953 295296571 /nfs/dbraw/zinc/29/65/71/295296571.db2.gz MIWDHXOELAWPCG-BDAKNGLRSA-N 2 2 267.295 0.915 20 0 CCADLP CCC[N@@H+]1CC[C@H](N[C@H]2CC[NH+](CCOC)C2)C1 ZINC000389428471 545086810 /nfs/dbraw/zinc/08/68/10/545086810.db2.gz XLJFKJBFSCAQOF-KBPBESRZSA-N 2 2 255.406 0.781 20 0 CCADLP CCC[N@H+]1CC[C@H](N[C@H]2CC[NH+](CCOC)C2)C1 ZINC000389428471 545086811 /nfs/dbraw/zinc/08/68/11/545086811.db2.gz XLJFKJBFSCAQOF-KBPBESRZSA-N 2 2 255.406 0.781 20 0 CCADLP CCC[NH+]1CC[C@H](N[C@H]2CC[N@H+](CCOC)C2)C1 ZINC000389428471 545086812 /nfs/dbraw/zinc/08/68/12/545086812.db2.gz XLJFKJBFSCAQOF-KBPBESRZSA-N 2 2 255.406 0.781 20 0 CCADLP CCC[NH+]1CC[C@H](N[C@H]2CC[N@@H+](CCOC)C2)C1 ZINC000389428471 545086813 /nfs/dbraw/zinc/08/68/13/545086813.db2.gz XLJFKJBFSCAQOF-KBPBESRZSA-N 2 2 255.406 0.781 20 0 CCADLP C[C@H](C(=O)N1CCCCCC1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107579476 298017367 /nfs/dbraw/zinc/01/73/67/298017367.db2.gz GFYOWLPBEOYDOJ-MCIONIFRSA-N 2 2 265.401 0.929 20 0 CCADLP C[C@H](C(=O)N1CCCCCC1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107579476 298017369 /nfs/dbraw/zinc/01/73/69/298017369.db2.gz GFYOWLPBEOYDOJ-MCIONIFRSA-N 2 2 265.401 0.929 20 0 CCADLP C[C@H](C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000423967159 298021817 /nfs/dbraw/zinc/02/18/17/298021817.db2.gz HBTQNNIAPIOUSQ-RBSFLKMASA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H](CCN1CCOCC1)[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422910015 298431216 /nfs/dbraw/zinc/43/12/16/298431216.db2.gz HFPMNCKZAZXYDU-KBMXLJTQSA-N 2 2 297.443 0.454 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000333475027 298628941 /nfs/dbraw/zinc/62/89/41/298628941.db2.gz BHQXRLRMSZRZHD-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1CCO ZINC000365621208 300115617 /nfs/dbraw/zinc/11/56/17/300115617.db2.gz HLDVBZHDWMZFMB-ZDUSSCGKSA-N 2 2 281.400 0.140 20 0 CCADLP C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[N@H+]1CCO ZINC000365621208 300115622 /nfs/dbraw/zinc/11/56/22/300115622.db2.gz HLDVBZHDWMZFMB-ZDUSSCGKSA-N 2 2 281.400 0.140 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(F)(F)[C@@H](CO)C1 ZINC000404074694 545091098 /nfs/dbraw/zinc/09/10/98/545091098.db2.gz XOYADBUBDJEKIL-NEPJUHHUSA-N 2 2 280.359 0.637 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(F)(F)[C@@H](CO)C1 ZINC000404074694 545091099 /nfs/dbraw/zinc/09/10/99/545091099.db2.gz XOYADBUBDJEKIL-NEPJUHHUSA-N 2 2 280.359 0.637 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000404074694 545091100 /nfs/dbraw/zinc/09/11/00/545091100.db2.gz XOYADBUBDJEKIL-NEPJUHHUSA-N 2 2 280.359 0.637 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000404074694 545091101 /nfs/dbraw/zinc/09/11/01/545091101.db2.gz XOYADBUBDJEKIL-NEPJUHHUSA-N 2 2 280.359 0.637 20 0 CCADLP CCn1cc(C[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)nn1 ZINC000404412177 545091366 /nfs/dbraw/zinc/09/13/66/545091366.db2.gz KAXHOPUXISFHOV-QWRGUYRKSA-N 2 2 253.350 0.155 20 0 CCADLP COc1cc(C)[nH+]c(CN2CC[N@H+](CCO)[C@@H](C)C2)c1 ZINC000426490664 533699420 /nfs/dbraw/zinc/69/94/20/533699420.db2.gz BZSJEXXJVAQALC-ZDUSSCGKSA-N 2 2 279.384 0.897 20 0 CCADLP COc1cc(C)[nH+]c(CN2CC[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000426490664 533699423 /nfs/dbraw/zinc/69/94/23/533699423.db2.gz BZSJEXXJVAQALC-ZDUSSCGKSA-N 2 2 279.384 0.897 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CC2(S(C)(=O)=O)CCC2)n1C ZINC000582133528 327805352 /nfs/dbraw/zinc/80/53/52/327805352.db2.gz ZUNXMARXZIZMHK-UHFFFAOYSA-N 2 2 271.386 0.785 20 0 CCADLP C[C@](O)(C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000584239325 327102770 /nfs/dbraw/zinc/10/27/70/327102770.db2.gz UCCSMKYHHZSDGP-MJBXVCDLSA-N 2 2 254.374 0.504 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000584243069 327126207 /nfs/dbraw/zinc/12/62/07/327126207.db2.gz ODIZJTHWGKZTIG-SECBINFHSA-N 2 2 259.375 0.641 20 0 CCADLP Cc1nn(C)c(C)c1NC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000582125166 327311033 /nfs/dbraw/zinc/31/10/33/327311033.db2.gz IRYWYIHMZFHJAQ-ISTVAULSSA-N 2 2 293.415 0.952 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]Cc1cccc(C(N)=O)c1)C1CC1 ZINC000574684435 327364462 /nfs/dbraw/zinc/36/44/62/327364462.db2.gz OBBJTCDLOIZNMY-CQSZACIVSA-N 2 2 277.368 0.330 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1cccc(C(N)=O)c1)C1CC1 ZINC000574684435 327364464 /nfs/dbraw/zinc/36/44/64/327364464.db2.gz OBBJTCDLOIZNMY-CQSZACIVSA-N 2 2 277.368 0.330 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](O)CC12CCC2 ZINC000582614702 329117745 /nfs/dbraw/zinc/11/77/45/329117745.db2.gz IJRNDWHEUGZMJJ-QWHCGFSZSA-N 2 2 256.390 0.678 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](O)CC12CCC2 ZINC000582614702 329117746 /nfs/dbraw/zinc/11/77/46/329117746.db2.gz IJRNDWHEUGZMJJ-QWHCGFSZSA-N 2 2 256.390 0.678 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000582614702 329117747 /nfs/dbraw/zinc/11/77/47/329117747.db2.gz IJRNDWHEUGZMJJ-QWHCGFSZSA-N 2 2 256.390 0.678 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](O)CC12CCC2 ZINC000582614702 329117749 /nfs/dbraw/zinc/11/77/49/329117749.db2.gz IJRNDWHEUGZMJJ-QWHCGFSZSA-N 2 2 256.390 0.678 20 0 CCADLP O[C@@H]1COC[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000583065779 329309695 /nfs/dbraw/zinc/30/96/95/329309695.db2.gz GBTQHKDFCWDOSQ-VXGBXAGGSA-N 2 2 265.338 0.783 20 0 CCADLP CC(C)[C@]1(C)C[C@H]1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000575354847 335096945 /nfs/dbraw/zinc/09/69/45/335096945.db2.gz KLZXCDYZFCTHQI-BZPMIXESSA-N 2 2 268.405 0.705 20 0 CCADLP CC(C)[C@]1(C)C[C@H]1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000575354847 335096947 /nfs/dbraw/zinc/09/69/47/335096947.db2.gz KLZXCDYZFCTHQI-BZPMIXESSA-N 2 2 268.405 0.705 20 0 CCADLP COc1ccncc1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000575795169 335115524 /nfs/dbraw/zinc/11/55/24/335115524.db2.gz XFYDZPJHVBAVGX-CABCVRRESA-N 2 2 277.368 0.947 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H](CO)Cc1ccc(F)cc1)C1CC1 ZINC000575869053 335126366 /nfs/dbraw/zinc/12/63/66/335126366.db2.gz VXKOOOXCAYZRII-ZBFHGGJFSA-N 2 2 296.386 0.774 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](CO)Cc1ccc(F)cc1)C1CC1 ZINC000575869053 335126368 /nfs/dbraw/zinc/12/63/68/335126368.db2.gz VXKOOOXCAYZRII-ZBFHGGJFSA-N 2 2 296.386 0.774 20 0 CCADLP COC[C@@H](C)OC[C@@H](O)C[NH2+]Cc1ccn2cc[nH+]c2c1 ZINC000565535498 334571804 /nfs/dbraw/zinc/57/18/04/334571804.db2.gz IBTOZVMNOVNDGA-OCCSQVGLSA-N 2 2 293.367 0.836 20 0 CCADLP CS(=O)(=O)CC1(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000576346326 335191890 /nfs/dbraw/zinc/19/18/90/335191890.db2.gz MSWCOEGGDKYGCC-NWDGAFQWSA-N 2 2 272.414 0.495 20 0 CCADLP CS(=O)(=O)CC1(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000576346326 335191889 /nfs/dbraw/zinc/19/18/89/335191889.db2.gz MSWCOEGGDKYGCC-NWDGAFQWSA-N 2 2 272.414 0.495 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)C1(C(N)=O)CCCC1 ZINC000576422175 335201960 /nfs/dbraw/zinc/20/19/60/335201960.db2.gz FDFLUFUGTAORRK-LLVKDONJSA-N 2 2 257.378 0.029 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C1(C(N)=O)CCCC1 ZINC000576422175 335201961 /nfs/dbraw/zinc/20/19/61/335201961.db2.gz FDFLUFUGTAORRK-LLVKDONJSA-N 2 2 257.378 0.029 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)C1(C(N)=O)CCCC1 ZINC000576422175 335201962 /nfs/dbraw/zinc/20/19/62/335201962.db2.gz FDFLUFUGTAORRK-LLVKDONJSA-N 2 2 257.378 0.029 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C1(C(N)=O)CCCC1 ZINC000576422175 335201963 /nfs/dbraw/zinc/20/19/63/335201963.db2.gz FDFLUFUGTAORRK-LLVKDONJSA-N 2 2 257.378 0.029 20 0 CCADLP Cc1c[nH+]ccc1CC[NH2+]C[C@@H](O)Cn1cccn1 ZINC000576628263 335227541 /nfs/dbraw/zinc/22/75/41/335227541.db2.gz SOEXTOKRBJNLAK-CQSZACIVSA-N 2 2 260.341 0.780 20 0 CCADLP CCCCNC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000576834639 335253515 /nfs/dbraw/zinc/25/35/15/335253515.db2.gz NDGBBLJLVZRTEI-CABCVRRESA-N 2 2 299.459 0.927 20 0 CCADLP CCCCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000576834639 335253517 /nfs/dbraw/zinc/25/35/17/335253517.db2.gz NDGBBLJLVZRTEI-CABCVRRESA-N 2 2 299.459 0.927 20 0 CCADLP CCCCNC(=O)[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)CC)C1 ZINC000576834639 335253519 /nfs/dbraw/zinc/25/35/19/335253519.db2.gz NDGBBLJLVZRTEI-CABCVRRESA-N 2 2 299.459 0.927 20 0 CCADLP CCCCNC(=O)[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000576834639 335253520 /nfs/dbraw/zinc/25/35/20/335253520.db2.gz NDGBBLJLVZRTEI-CABCVRRESA-N 2 2 299.459 0.927 20 0 CCADLP C[C@H](CC[NH+](C)C)NC[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000580554614 335279514 /nfs/dbraw/zinc/27/95/14/335279514.db2.gz ZTCRWNKDIWWYTN-APIJFGDWSA-N 2 2 287.448 0.386 20 0 CCADLP C[C@H](CC[NH+](C)C)NC[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000580554614 335279515 /nfs/dbraw/zinc/27/95/15/335279515.db2.gz ZTCRWNKDIWWYTN-APIJFGDWSA-N 2 2 287.448 0.386 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000379977364 335283528 /nfs/dbraw/zinc/28/35/28/335283528.db2.gz SLETXECBXZFENP-ITDIGPHOSA-N 2 2 292.383 0.867 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000577072759 335295448 /nfs/dbraw/zinc/29/54/48/335295448.db2.gz AYUXTHPCEGHVOE-UONOGXRCSA-N 2 2 286.416 0.569 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000577072759 335295449 /nfs/dbraw/zinc/29/54/49/335295449.db2.gz AYUXTHPCEGHVOE-UONOGXRCSA-N 2 2 286.416 0.569 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000577072759 335295450 /nfs/dbraw/zinc/29/54/50/335295450.db2.gz AYUXTHPCEGHVOE-UONOGXRCSA-N 2 2 286.416 0.569 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000577072759 335295452 /nfs/dbraw/zinc/29/54/52/335295452.db2.gz AYUXTHPCEGHVOE-UONOGXRCSA-N 2 2 286.416 0.569 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3cccc(F)c3)CCN2C1=O ZINC000577124955 335305012 /nfs/dbraw/zinc/30/50/12/335305012.db2.gz KIWJXXRAMXQCBW-QWHCGFSZSA-N 2 2 263.316 0.570 20 0 CCADLP Cn1cc[nH+]c1[C@H](NC(=O)N[C@H]1CC[NH2+]C1)C1CC1 ZINC000577126016 335305210 /nfs/dbraw/zinc/30/52/10/335305210.db2.gz ZIKANKLQCQMUPC-WDEREUQCSA-N 2 2 263.345 0.532 20 0 CCADLP C[C@H](CC(=O)N[C@H]1C[NH2+]CC[C@H]1C)n1cc[nH+]c1 ZINC000580655141 335313458 /nfs/dbraw/zinc/31/34/58/335313458.db2.gz LCSUBAUZKOLYOW-UTUOFQBUSA-N 2 2 250.346 0.948 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+][C@@H]2CCn3cc[nH+]c3C2)no1 ZINC000577276208 335333625 /nfs/dbraw/zinc/33/36/25/335333625.db2.gz WRQKBKHSJLDYPW-LLVKDONJSA-N 2 2 289.339 0.535 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCCCC[NH2+]1 ZINC000577280941 335334733 /nfs/dbraw/zinc/33/47/33/335334733.db2.gz DARYFMUERIRGOK-CYBMUJFWSA-N 2 2 269.389 0.309 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCc2ccco2)[C@H](C[NH3+])C1 ZINC000577604748 335376816 /nfs/dbraw/zinc/37/68/16/335376816.db2.gz XOPUUUKYSDEKSY-LLVKDONJSA-N 2 2 266.345 0.106 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCc2ccco2)[C@H](C[NH3+])C1 ZINC000577604748 335376817 /nfs/dbraw/zinc/37/68/17/335376817.db2.gz XOPUUUKYSDEKSY-LLVKDONJSA-N 2 2 266.345 0.106 20 0 CCADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)[C@@H](C)O)nc[nH+]1 ZINC000578019553 335462037 /nfs/dbraw/zinc/46/20/37/335462037.db2.gz KDKGLIFAAZDZQI-QJPTWQEYSA-N 2 2 279.388 0.846 20 0 CCADLP COCC1(C(=O)NCCNc2cccc[nH+]2)CC[NH2+]CC1 ZINC000578439551 335634370 /nfs/dbraw/zinc/63/43/70/335634370.db2.gz ICSFQMBPCHJJIO-UHFFFAOYSA-N 2 2 292.383 0.626 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCCC[NH2+]1 ZINC000580957935 335989421 /nfs/dbraw/zinc/98/94/21/335989421.db2.gz RNVQQFMAUGKJTI-IJLUTSLNSA-N 2 2 275.418 0.141 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000581207104 336024950 /nfs/dbraw/zinc/02/49/50/336024950.db2.gz ZGPQEIXAESCKMA-FRRDWIJNSA-N 2 2 289.445 0.340 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000581207104 336024952 /nfs/dbraw/zinc/02/49/52/336024952.db2.gz ZGPQEIXAESCKMA-FRRDWIJNSA-N 2 2 289.445 0.340 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194728559 336038053 /nfs/dbraw/zinc/03/80/53/336038053.db2.gz SVKHIQGFGYAMIG-OKILXGFUSA-N 2 2 285.432 0.894 20 0 CCADLP CC(C)[NH+](C)CC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194728559 336038055 /nfs/dbraw/zinc/03/80/55/336038055.db2.gz SVKHIQGFGYAMIG-OKILXGFUSA-N 2 2 285.432 0.894 20 0 CCADLP CC(C)[NH+](C)CC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194728559 336038056 /nfs/dbraw/zinc/03/80/56/336038056.db2.gz SVKHIQGFGYAMIG-OKILXGFUSA-N 2 2 285.432 0.894 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CN2CCOCC2)C1 ZINC000581318520 336047835 /nfs/dbraw/zinc/04/78/35/336047835.db2.gz WWKRGOQEVHVZCW-HZPDHXFCSA-N 2 2 299.459 0.343 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CN2CCOCC2)C1 ZINC000581318520 336047836 /nfs/dbraw/zinc/04/78/36/336047836.db2.gz WWKRGOQEVHVZCW-HZPDHXFCSA-N 2 2 299.459 0.343 20 0 CCADLP CC[C@@H]1[C@H](CO)CC[N@@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000385585878 336151944 /nfs/dbraw/zinc/15/19/44/336151944.db2.gz AAZBUZYKHSWMHQ-MELADBBJSA-N 2 2 274.405 0.018 20 0 CCADLP CC[C@@H]1[C@H](CO)CC[N@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000385585878 336151946 /nfs/dbraw/zinc/15/19/46/336151946.db2.gz AAZBUZYKHSWMHQ-MELADBBJSA-N 2 2 274.405 0.018 20 0 CCADLP CC[C@@H]1[C@H](CO)CC[NH+]1C[C@@H](O)C[N@H+](C)CCOC ZINC000385585878 336151948 /nfs/dbraw/zinc/15/19/48/336151948.db2.gz AAZBUZYKHSWMHQ-MELADBBJSA-N 2 2 274.405 0.018 20 0 CCADLP CC[C@@H]1[C@H](CO)CC[NH+]1C[C@@H](O)C[N@@H+](C)CCOC ZINC000385585878 336151949 /nfs/dbraw/zinc/15/19/49/336151949.db2.gz AAZBUZYKHSWMHQ-MELADBBJSA-N 2 2 274.405 0.018 20 0 CCADLP COCc1noc([C@@H](C)[N@@H+]2CCC[C@@H](C[NH3+])C2)n1 ZINC000582003481 336189007 /nfs/dbraw/zinc/18/90/07/336189007.db2.gz LCPSMFSDNOEABT-ZJUUUORDSA-N 2 2 254.334 0.948 20 0 CCADLP COCc1noc([C@@H](C)[N@H+]2CCC[C@@H](C[NH3+])C2)n1 ZINC000582003481 336189009 /nfs/dbraw/zinc/18/90/09/336189009.db2.gz LCPSMFSDNOEABT-ZJUUUORDSA-N 2 2 254.334 0.948 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000430753389 545094799 /nfs/dbraw/zinc/09/47/99/545094799.db2.gz KEXPNRXKMQZQQS-NEPJUHHUSA-N 2 2 262.357 0.891 20 0 CCADLP C[C@@H](CNC(=O)/C=C/c1[nH]cc[nH+]1)N1CC[NH+](C)CC1 ZINC000493613640 533872249 /nfs/dbraw/zinc/87/22/49/533872249.db2.gz PDJAAIREAOFZOK-PCAWENJQSA-N 2 2 277.372 0.175 20 0 CCADLP C[C@@H](CNC(=O)NCC[N@@H+]1CCOCC1(C)C)[NH+](C)C ZINC000454525492 533957044 /nfs/dbraw/zinc/95/70/44/533957044.db2.gz KHQYRDXDJGSOGJ-LBPRGKRZSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@@H](CNC(=O)NCC[N@H+]1CCOCC1(C)C)[NH+](C)C ZINC000454525492 533957052 /nfs/dbraw/zinc/95/70/52/533957052.db2.gz KHQYRDXDJGSOGJ-LBPRGKRZSA-N 2 2 286.420 0.347 20 0 CCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC[NH3+])CC2)CC1 ZINC000263046471 535613095 /nfs/dbraw/zinc/61/30/95/535613095.db2.gz UCKOMPOSDUQSSJ-UHFFFAOYSA-N 3 2 282.432 0.211 20 0 CCADLP COc1cc(F)cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000449243393 534006880 /nfs/dbraw/zinc/00/68/80/534006880.db2.gz KMAYOJUYUMDNNO-AWEZNQCLSA-N 2 2 268.332 0.991 20 0 CCADLP COc1cc(F)cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000449243393 534006887 /nfs/dbraw/zinc/00/68/87/534006887.db2.gz KMAYOJUYUMDNNO-AWEZNQCLSA-N 2 2 268.332 0.991 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000358502082 534017068 /nfs/dbraw/zinc/01/70/68/534017068.db2.gz OKWPHEOCIRGRGR-CHWSQXEVSA-N 2 2 286.420 0.299 20 0 CCADLP C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1c[nH+]c(N(C)C)n1C ZINC000425375379 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CC[C@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)CCO1 ZINC000428078034 529294109 /nfs/dbraw/zinc/29/41/09/529294109.db2.gz YTJMXBQEYUIDNZ-GJZGRUSLSA-N 2 2 295.427 0.840 20 0 CCADLP CC[C@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@H+]2C2CC2)CCO1 ZINC000428078034 529294111 /nfs/dbraw/zinc/29/41/11/529294111.db2.gz YTJMXBQEYUIDNZ-GJZGRUSLSA-N 2 2 295.427 0.840 20 0 CCADLP CC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000456538856 529354414 /nfs/dbraw/zinc/35/44/14/529354414.db2.gz XOSIOWSCHYGXRJ-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000456538856 529354415 /nfs/dbraw/zinc/35/44/15/529354415.db2.gz XOSIOWSCHYGXRJ-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@@H](C(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[NH+](C)C ZINC000674285787 545302500 /nfs/dbraw/zinc/30/25/00/545302500.db2.gz TUIKODYXYQJSKZ-LBPRGKRZSA-N 2 2 292.383 0.485 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC000517326906 535126034 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20 0 CCADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2COCC[NH+]2CC)C1 ZINC000342410657 535261495 /nfs/dbraw/zinc/26/14/95/535261495.db2.gz HBRWNSYXQFCLQE-LSDHHAIUSA-N 2 2 297.443 0.897 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2COCC[NH+]2CC)C1 ZINC000342410657 535261500 /nfs/dbraw/zinc/26/15/00/535261500.db2.gz HBRWNSYXQFCLQE-LSDHHAIUSA-N 2 2 297.443 0.897 20 0 CCADLP CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CC)C1 ZINC000342410657 535261506 /nfs/dbraw/zinc/26/15/06/535261506.db2.gz HBRWNSYXQFCLQE-LSDHHAIUSA-N 2 2 297.443 0.897 20 0 CCADLP CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CC)C1 ZINC000342410657 535261510 /nfs/dbraw/zinc/26/15/10/535261510.db2.gz HBRWNSYXQFCLQE-LSDHHAIUSA-N 2 2 297.443 0.897 20 0 CCADLP C[NH+](C)[C@H]1CCCN(c2nc(N3CCOCC3)cc[nH+]2)C1 ZINC000676309656 545341060 /nfs/dbraw/zinc/34/10/60/545341060.db2.gz GLZVWXMILBUZCJ-ZDUSSCGKSA-N 2 2 291.399 0.844 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)N1CC[NH+](CCOCC)CC1 ZINC000262717026 535524970 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O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000676842697 545353481 /nfs/dbraw/zinc/35/34/81/545353481.db2.gz FIEAEDLLCMDVLX-NEPJUHHUSA-N 2 2 274.368 0.798 20 0 CCADLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000676842697 545353482 /nfs/dbraw/zinc/35/34/82/545353482.db2.gz FIEAEDLLCMDVLX-NEPJUHHUSA-N 2 2 274.368 0.798 20 0 CCADLP C[C@@H](C(=O)N[C@@H]1CCC[N@H+](C)C1)[NH+]1CCSCC1 ZINC000676842199 545353572 /nfs/dbraw/zinc/35/35/72/545353572.db2.gz YVAZDLGIRWDNAE-NWDGAFQWSA-N 2 2 271.430 0.634 20 0 CCADLP C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCSCC1 ZINC000676842199 545353573 /nfs/dbraw/zinc/35/35/73/545353573.db2.gz YVAZDLGIRWDNAE-NWDGAFQWSA-N 2 2 271.430 0.634 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000677059681 545357615 /nfs/dbraw/zinc/35/76/15/545357615.db2.gz BGEHTECWRADMJM-CHWSQXEVSA-N 2 2 274.368 0.728 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000677059681 545357616 /nfs/dbraw/zinc/35/76/16/545357616.db2.gz BGEHTECWRADMJM-CHWSQXEVSA-N 2 2 274.368 0.728 20 0 CCADLP CC[C@@H]1C[N@H+](CCNc2cc[nH+]c(N(C)C)n2)CCO1 ZINC000362679070 535854437 /nfs/dbraw/zinc/85/44/37/535854437.db2.gz DEQUHBDCDFZGQD-GFCCVEGCSA-N 2 2 279.388 0.487 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNc2cc[nH+]c(N(C)C)n2)CCO1 ZINC000362679070 535854441 /nfs/dbraw/zinc/85/44/41/535854441.db2.gz DEQUHBDCDFZGQD-GFCCVEGCSA-N 2 2 279.388 0.487 20 0 CCADLP C[C@H]1CCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000677577151 545368920 /nfs/dbraw/zinc/36/89/20/545368920.db2.gz FECLVFLPTPACLJ-LBPRGKRZSA-N 2 2 268.405 0.816 20 0 CCADLP C[N@H+](CCC(=O)N1CCCCC1)C1CC[NH+](CCO)CC1 ZINC000357653070 536302303 /nfs/dbraw/zinc/30/23/03/536302303.db2.gz WINRSTUSJQIVTB-UHFFFAOYSA-N 2 2 297.443 0.778 20 0 CCADLP C[N@@H+](CCC(=O)N1CCCCC1)C1CC[NH+](CCO)CC1 ZINC000357653070 536302305 /nfs/dbraw/zinc/30/23/05/536302305.db2.gz WINRSTUSJQIVTB-UHFFFAOYSA-N 2 2 297.443 0.778 20 0 CCADLP C[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C[C@@H]1F ZINC000679184428 545403476 /nfs/dbraw/zinc/40/34/76/545403476.db2.gz WZRTWRRHSQUPDI-FRRDWIJNSA-N 2 2 299.390 0.746 20 0 CCADLP C[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C[C@@H]1F ZINC000679184428 545403477 /nfs/dbraw/zinc/40/34/77/545403477.db2.gz WZRTWRRHSQUPDI-FRRDWIJNSA-N 2 2 299.390 0.746 20 0 CCADLP Cc1n[nH]cc1[C@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000679336432 545407393 /nfs/dbraw/zinc/40/73/93/545407393.db2.gz NXGDMHIXCIVLDI-JTQLQIEISA-N 2 2 265.361 0.143 20 0 CCADLP COC[C@@H]([NH3+])C(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000262356140 536655475 /nfs/dbraw/zinc/65/54/75/536655475.db2.gz UZRKQXFPSTWNPN-GFCCVEGCSA-N 2 2 298.412 0.151 20 0 CCADLP COC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000262356140 536655482 /nfs/dbraw/zinc/65/54/82/536655482.db2.gz UZRKQXFPSTWNPN-GFCCVEGCSA-N 2 2 298.412 0.151 20 0 CCADLP COC[C@@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000262194096 536663010 /nfs/dbraw/zinc/66/30/10/536663010.db2.gz CMYFGOXQGHCSCB-CYBMUJFWSA-N 2 2 292.383 0.662 20 0 CCADLP COC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000262265481 536663467 /nfs/dbraw/zinc/66/34/67/536663467.db2.gz JVHNOMPQDBTNTA-GFCCVEGCSA-N 2 2 278.356 0.272 20 0 CCADLP COCC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000343246084 536796897 /nfs/dbraw/zinc/79/68/97/536796897.db2.gz MYALVKHZVGBVJV-OAGGEKHMSA-N 3 2 299.459 0.701 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000343246084 536796898 /nfs/dbraw/zinc/79/68/98/536796898.db2.gz MYALVKHZVGBVJV-OAGGEKHMSA-N 3 2 299.459 0.701 20 0 CCADLP COCC[NH+]1CCC([N@H+](C)[C@@H](C)C[S@@](C)=O)CC1 ZINC000362069336 536858085 /nfs/dbraw/zinc/85/80/85/536858085.db2.gz UKMSRQDBMQQMJA-KPZWWZAWSA-N 2 2 276.446 0.796 20 0 CCADLP COCC[NH+]1CCC([N@@H+](C)[C@@H](C)C[S@@](C)=O)CC1 ZINC000362069336 536858088 /nfs/dbraw/zinc/85/80/88/536858088.db2.gz UKMSRQDBMQQMJA-KPZWWZAWSA-N 2 2 276.446 0.796 20 0 CCADLP C[C@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681105315 545442935 /nfs/dbraw/zinc/44/29/35/545442935.db2.gz WSUWGIMRTLHSIB-SCRDCRAPSA-N 2 2 265.401 0.927 20 0 CCADLP C[C@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681105315 545442936 /nfs/dbraw/zinc/44/29/36/545442936.db2.gz WSUWGIMRTLHSIB-SCRDCRAPSA-N 2 2 265.401 0.927 20 0 CCADLP COc1ccnc(N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000346835788 537117101 /nfs/dbraw/zinc/11/71/01/537117101.db2.gz OACPAOSLQSSMEJ-CYBMUJFWSA-N 2 2 291.399 0.607 20 0 CCADLP C[NH+](C)CCCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000681782828 545462527 /nfs/dbraw/zinc/46/25/27/545462527.db2.gz PSKKQUXXQXXSAZ-LLVKDONJSA-N 2 2 265.361 0.449 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000682519408 545481795 /nfs/dbraw/zinc/48/17/95/545481795.db2.gz LCXKOILJKUHDOH-LBPRGKRZSA-N 2 2 276.384 0.998 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000682519408 545481796 /nfs/dbraw/zinc/48/17/96/545481796.db2.gz LCXKOILJKUHDOH-LBPRGKRZSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC000682516079 545481819 /nfs/dbraw/zinc/48/18/19/545481819.db2.gz IOIZHMNQFJXPBY-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC000682516079 545481820 /nfs/dbraw/zinc/48/18/20/545481820.db2.gz IOIZHMNQFJXPBY-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP CC[NH+](CC)CC(=O)N1CCN(Cc2cn(C)c[nH+]2)CC1 ZINC000683897592 545577164 /nfs/dbraw/zinc/57/71/64/545577164.db2.gz FSWYXRUUFFPREJ-UHFFFAOYSA-N 2 2 293.415 0.406 20 0 CCADLP C[C@H](F)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC000962146147 649892975 /nfs/dbraw/zinc/89/29/75/649892975.db2.gz HNQFFNFZNJFXHG-KZWBYHQPSA-N 2 2 280.347 0.747 20 0 CCADLP C[C@H](F)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC000962146147 649892976 /nfs/dbraw/zinc/89/29/76/649892976.db2.gz HNQFFNFZNJFXHG-KZWBYHQPSA-N 2 2 280.347 0.747 20 0 CCADLP C[C@@H](CCO)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000779346086 581181951 /nfs/dbraw/zinc/18/19/51/581181951.db2.gz UFUOZRGSWLTROR-QWHCGFSZSA-N 2 2 271.405 0.290 20 0 CCADLP C[C@@H](CCO)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000779346086 581181954 /nfs/dbraw/zinc/18/19/54/581181954.db2.gz UFUOZRGSWLTROR-QWHCGFSZSA-N 2 2 271.405 0.290 20 0 CCADLP COC(=O)/C(C)=C\C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000748817697 581283689 /nfs/dbraw/zinc/28/36/89/581283689.db2.gz QLHBBAIJOCDTBN-XXUROBRHSA-N 2 2 295.427 0.818 20 0 CCADLP COC(=O)/C(C)=C\C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000748817697 581283691 /nfs/dbraw/zinc/28/36/91/581283691.db2.gz QLHBBAIJOCDTBN-XXUROBRHSA-N 2 2 295.427 0.818 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+](C)C[C@@H]2CCOC2)C1 ZINC000783989888 581370171 /nfs/dbraw/zinc/37/01/71/581370171.db2.gz OLZKSWCREHBPAM-QWHCGFSZSA-N 2 2 292.383 0.662 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+](C)C[C@@H]2CCOC2)C1 ZINC000783989888 581370173 /nfs/dbraw/zinc/37/01/73/581370173.db2.gz OLZKSWCREHBPAM-QWHCGFSZSA-N 2 2 292.383 0.662 20 0 CCADLP Cc1ccc(C[N@H+](CCO)C[C@@H](O)C[NH+]2CCCC2)o1 ZINC000796559117 581443671 /nfs/dbraw/zinc/44/36/71/581443671.db2.gz KSWCRWKDWNVHGT-AWEZNQCLSA-N 2 2 282.384 0.839 20 0 CCADLP Cc1ccc(C[N@@H+](CCO)C[C@@H](O)C[NH+]2CCCC2)o1 ZINC000796559117 581443672 /nfs/dbraw/zinc/44/36/72/581443672.db2.gz KSWCRWKDWNVHGT-AWEZNQCLSA-N 2 2 282.384 0.839 20 0 CCADLP CO[C@H](C)C[NH+](C)CC1(C[N@@H+](C)C[C@H](C)OC)COC1 ZINC000796640571 581447111 /nfs/dbraw/zinc/44/71/11/581447111.db2.gz IANASLQILFOQID-OKILXGFUSA-N 2 2 288.432 0.936 20 0 CCADLP CO[C@H](C)C[NH+](C)CC1(C[N@H+](C)C[C@H](C)OC)COC1 ZINC000796640571 581447112 /nfs/dbraw/zinc/44/71/12/581447112.db2.gz IANASLQILFOQID-OKILXGFUSA-N 2 2 288.432 0.936 20 0 CCADLP CO[C@H](C)C[N@@H+](C)CC1(C[NH+](C)C[C@H](C)OC)COC1 ZINC000796640571 581447114 /nfs/dbraw/zinc/44/71/14/581447114.db2.gz IANASLQILFOQID-OKILXGFUSA-N 2 2 288.432 0.936 20 0 CCADLP CO[C@H](C)C[N@H+](C)CC1(C[NH+](C)C[C@H](C)OC)COC1 ZINC000796640571 581447116 /nfs/dbraw/zinc/44/71/16/581447116.db2.gz IANASLQILFOQID-OKILXGFUSA-N 2 2 288.432 0.936 20 0 CCADLP C[C@@H](NC(=S)NCC[NH+](C)C)[C@H](C)[NH+]1CCOCC1 ZINC000729646878 581608596 /nfs/dbraw/zinc/60/85/96/581608596.db2.gz DVSYNNQESOFRFD-NEPJUHHUSA-N 2 2 288.461 0.121 20 0 CCADLP CCC1(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)COC1 ZINC000755450280 581640416 /nfs/dbraw/zinc/64/04/16/581640416.db2.gz ZSKWADWIBKOCKJ-UHFFFAOYSA-N 2 2 283.416 0.555 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000768164567 581645839 /nfs/dbraw/zinc/64/58/39/581645839.db2.gz LQURVAKQHBIKDF-RDBSUJKOSA-N 2 2 286.441 0.649 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000768164567 581645842 /nfs/dbraw/zinc/64/58/42/581645842.db2.gz LQURVAKQHBIKDF-RDBSUJKOSA-N 2 2 286.441 0.649 20 0 CCADLP CN(C)c1cc[nH+]c(NC[C@@H]2C[N@H+](C)CCN2C)n1 ZINC000770462583 581746197 /nfs/dbraw/zinc/74/61/97/581746197.db2.gz VXLIIFUDKBZQOR-LLVKDONJSA-N 2 2 264.377 0.200 20 0 CCADLP CN(C)c1cc[nH+]c(NC[C@@H]2C[N@@H+](C)CCN2C)n1 ZINC000770462583 581746199 /nfs/dbraw/zinc/74/61/99/581746199.db2.gz VXLIIFUDKBZQOR-LLVKDONJSA-N 2 2 264.377 0.200 20 0 CCADLP COC(=O)C[C@]1([NH2+]CCCn2cc[nH+]c2)CCCOC1 ZINC000770703694 581763097 /nfs/dbraw/zinc/76/30/97/581763097.db2.gz ZCJNEQFCMPEDAZ-CQSZACIVSA-N 2 2 281.356 0.975 20 0 CCADLP CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000743272543 581805885 /nfs/dbraw/zinc/80/58/85/581805885.db2.gz XYQVKCKOIGIWRA-GJZGRUSLSA-N 2 2 297.443 0.776 20 0 CCADLP CCN(CC)C(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000743272543 581805887 /nfs/dbraw/zinc/80/58/87/581805887.db2.gz XYQVKCKOIGIWRA-GJZGRUSLSA-N 2 2 297.443 0.776 20 0 CCADLP COC(=O)C1=NOC2(C1)CC[NH+](CC[NH+]1CCCC1)CC2 ZINC000771781305 581820668 /nfs/dbraw/zinc/82/06/68/581820668.db2.gz WMYUAHGUGTXDMD-UHFFFAOYSA-N 2 2 295.383 0.866 20 0 CCADLP Cc1nnc([C@H]2CCC[N@H+](C[C@@H](O)C[NH+]3CCCC3)C2)[nH]1 ZINC000760958085 581880981 /nfs/dbraw/zinc/88/09/81/581880981.db2.gz FJBPDAXJVXDTKR-KBPBESRZSA-N 2 2 293.415 0.749 20 0 CCADLP Cc1nnc([C@H]2CCC[N@@H+](C[C@@H](O)C[NH+]3CCCC3)C2)[nH]1 ZINC000760958085 581880983 /nfs/dbraw/zinc/88/09/83/581880983.db2.gz FJBPDAXJVXDTKR-KBPBESRZSA-N 2 2 293.415 0.749 20 0 CCADLP Cc1n[nH]c([C@H]2CCC[N@H+](C[C@@H](O)C[NH+]3CCCC3)C2)n1 ZINC000760958085 581880985 /nfs/dbraw/zinc/88/09/85/581880985.db2.gz FJBPDAXJVXDTKR-KBPBESRZSA-N 2 2 293.415 0.749 20 0 CCADLP Cc1n[nH]c([C@H]2CCC[N@@H+](C[C@@H](O)C[NH+]3CCCC3)C2)n1 ZINC000760958085 581880986 /nfs/dbraw/zinc/88/09/86/581880986.db2.gz FJBPDAXJVXDTKR-KBPBESRZSA-N 2 2 293.415 0.749 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CCN(C=O)CC1 ZINC000774226524 581966303 /nfs/dbraw/zinc/96/63/03/581966303.db2.gz QPVIQAVOEARNEX-SMDDNHRTSA-N 2 2 251.374 0.680 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CCN(C=O)CC1 ZINC000774226524 581966305 /nfs/dbraw/zinc/96/63/05/581966305.db2.gz QPVIQAVOEARNEX-SMDDNHRTSA-N 2 2 251.374 0.680 20 0 CCADLP CCOC(=O)N1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000748437834 581975673 /nfs/dbraw/zinc/97/56/73/581975673.db2.gz ZTPMEDFGNLGDCC-AWEZNQCLSA-N 2 2 299.415 0.607 20 0 CCADLP CCOC(=O)N1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000748437834 581975675 /nfs/dbraw/zinc/97/56/75/581975675.db2.gz ZTPMEDFGNLGDCC-AWEZNQCLSA-N 2 2 299.415 0.607 20 0 CCADLP NS(=O)(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000749515020 582010606 /nfs/dbraw/zinc/01/06/06/582010606.db2.gz JKLPORSEJGZILC-WCQYABFASA-N 2 2 287.429 0.224 20 0 CCADLP NS(=O)(=O)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000749515020 582010608 /nfs/dbraw/zinc/01/06/08/582010608.db2.gz JKLPORSEJGZILC-WCQYABFASA-N 2 2 287.429 0.224 20 0 CCADLP NS(=O)(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000749515020 582010611 /nfs/dbraw/zinc/01/06/11/582010611.db2.gz JKLPORSEJGZILC-WCQYABFASA-N 2 2 287.429 0.224 20 0 CCADLP NS(=O)(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000749515020 582010613 /nfs/dbraw/zinc/01/06/13/582010613.db2.gz JKLPORSEJGZILC-WCQYABFASA-N 2 2 287.429 0.224 20 0 CCADLP O=S1(=O)CCC[C@H]([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000775374729 582021407 /nfs/dbraw/zinc/02/14/07/582021407.db2.gz DICIDGAVFWSHQD-ZDUSSCGKSA-N 2 2 290.429 0.266 20 0 CCADLP c1cn(-c2ccc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)cn2)c[nH+]1 ZINC000750040091 582031458 /nfs/dbraw/zinc/03/14/58/582031458.db2.gz SBSHLBIYYBQJDP-KBPBESRZSA-N 3 2 269.352 0.919 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+](C)[C@@H]2CCSC2)CC[N@@H+]1C ZINC000764402797 582044722 /nfs/dbraw/zinc/04/47/22/582044722.db2.gz OOQVQRBORAHTCG-VXGBXAGGSA-N 2 2 271.430 0.586 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+](C)[C@@H]2CCSC2)CC[N@H+]1C ZINC000764402797 582044726 /nfs/dbraw/zinc/04/47/26/582044726.db2.gz OOQVQRBORAHTCG-VXGBXAGGSA-N 2 2 271.430 0.586 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC[NH+]1C ZINC000764402797 582044728 /nfs/dbraw/zinc/04/47/28/582044728.db2.gz OOQVQRBORAHTCG-VXGBXAGGSA-N 2 2 271.430 0.586 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC[NH+]1C ZINC000764402797 582044730 /nfs/dbraw/zinc/04/47/30/582044730.db2.gz OOQVQRBORAHTCG-VXGBXAGGSA-N 2 2 271.430 0.586 20 0 CCADLP C[C@@H](C(=O)NCc1ccnc(-n2cc[nH+]c2)c1)[NH+](C)C ZINC000750610506 582052759 /nfs/dbraw/zinc/05/27/59/582052759.db2.gz GSYSKTMONXSDET-NSHDSACASA-N 2 2 273.340 0.834 20 0 CCADLP Cc1nc2[nH]ccc2c(NCC(=O)N2CC[NH+](C)CC2)[nH+]1 ZINC000751224275 582072855 /nfs/dbraw/zinc/07/28/55/582072855.db2.gz DYZLGGNKRXUARD-UHFFFAOYSA-N 2 2 288.355 0.452 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000776956560 582093782 /nfs/dbraw/zinc/09/37/82/582093782.db2.gz NTPMTWXECGCAQM-AGIUHOORSA-N 2 2 270.373 0.448 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000776956560 582093784 /nfs/dbraw/zinc/09/37/84/582093784.db2.gz NTPMTWXECGCAQM-AGIUHOORSA-N 2 2 270.373 0.448 20 0 CCADLP CO[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)C(F)(F)F ZINC000863552952 617089340 /nfs/dbraw/zinc/08/93/40/617089340.db2.gz RKHIRGYIXFYBGD-VHSXEESVSA-N 2 2 270.295 0.610 20 0 CCADLP C[C@@H]([NH3+])CN(C)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000877107170 617173511 /nfs/dbraw/zinc/17/35/11/617173511.db2.gz YOFYGOWAGOSELH-GFCCVEGCSA-N 2 2 293.415 0.438 20 0 CCADLP C[C@@H]([NH3+])[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1ccccc1 ZINC000925725568 617177441 /nfs/dbraw/zinc/17/74/41/617177441.db2.gz AMTNIHQIUCOEAG-DGCLKSJQSA-N 2 2 299.440 0.979 20 0 CCADLP CC(C)OCC[C@@H](O)C[N@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000923329871 614023586 /nfs/dbraw/zinc/02/35/86/614023586.db2.gz QRWMRHPHKCUGKQ-ZIAGYGMSSA-N 2 2 256.390 0.989 20 0 CCADLP CC(C)OCC[C@@H](O)C[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000923329871 614023589 /nfs/dbraw/zinc/02/35/89/614023589.db2.gz QRWMRHPHKCUGKQ-ZIAGYGMSSA-N 2 2 256.390 0.989 20 0 CCADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000877433979 613191953 /nfs/dbraw/zinc/19/19/53/613191953.db2.gz LBSSTXHCMJMUNB-SYLFXCMISA-N 2 2 295.427 0.625 20 0 CCADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000877433979 613191955 /nfs/dbraw/zinc/19/19/55/613191955.db2.gz LBSSTXHCMJMUNB-SYLFXCMISA-N 2 2 295.427 0.625 20 0 CCADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000876711018 613209187 /nfs/dbraw/zinc/20/91/87/613209187.db2.gz RUEZEUXDDDDAOY-UUSXEQNQSA-N 2 2 295.427 0.625 20 0 CCADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000876746630 613209673 /nfs/dbraw/zinc/20/96/73/613209673.db2.gz MGJBGQDLNUALDC-HUZDROCFSA-N 2 2 281.400 0.235 20 0 CCADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000876746630 613209676 /nfs/dbraw/zinc/20/96/76/613209676.db2.gz MGJBGQDLNUALDC-HUZDROCFSA-N 2 2 281.400 0.235 20 0 CCADLP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000923365648 613228437 /nfs/dbraw/zinc/22/84/37/613228437.db2.gz TWCCDAJRVRPBPC-KKUMJFAQSA-N 3 2 279.428 0.971 20 0 CCADLP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000923365648 613228440 /nfs/dbraw/zinc/22/84/40/613228440.db2.gz TWCCDAJRVRPBPC-KKUMJFAQSA-N 3 2 279.428 0.971 20 0 CCADLP C1C[C@@H]([NH2+][C@H]2C[NH2+]CCOC2)C2(C1)CCOCC2 ZINC000925661771 613231779 /nfs/dbraw/zinc/23/17/79/613231779.db2.gz WMGBPKWWPDVKIA-QWHCGFSZSA-N 2 2 254.374 0.914 20 0 CCADLP C/C(=C/C(=O)NC(C)(C)C[NH+](C)C)C[NH+]1CCOCC1 ZINC000909558881 613235495 /nfs/dbraw/zinc/23/54/95/613235495.db2.gz GFWIYWUDWGJRAZ-RAXLEYEMSA-N 2 2 283.416 0.721 20 0 CCADLP C/C(=C/C(=O)NC[C@@H]1CCC[N@@H+](C)C1)C[NH+]1CCOCC1 ZINC000900631113 613237486 /nfs/dbraw/zinc/23/74/86/613237486.db2.gz VTKJLXBJQWEHBR-LTBFUDJGSA-N 2 2 295.427 0.723 20 0 CCADLP C/C(=C/C(=O)NC[C@@H]1CCC[N@H+](C)C1)C[NH+]1CCOCC1 ZINC000900631113 613237488 /nfs/dbraw/zinc/23/74/88/613237488.db2.gz VTKJLXBJQWEHBR-LTBFUDJGSA-N 2 2 295.427 0.723 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N1CC[C@@H]([NH2+]C[C@@H](C)O)C1 ZINC000969068981 617327179 /nfs/dbraw/zinc/32/71/79/617327179.db2.gz BZJKBPDCNRXLPR-DGCLKSJQSA-N 2 2 293.367 0.204 20 0 CCADLP CC(C)N1C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1=O ZINC000925581765 613894416 /nfs/dbraw/zinc/89/44/16/613894416.db2.gz UWCGZDUQXDIFDS-YYQHBFALSA-N 2 2 263.385 0.582 20 0 CCADLP CC(C)NC(=O)C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886865499 613915215 /nfs/dbraw/zinc/91/52/15/613915215.db2.gz MCUOVTHUUQLZQV-CQSZACIVSA-N 2 2 253.390 0.977 20 0 CCADLP CC(C)NC(=O)C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886865499 613915216 /nfs/dbraw/zinc/91/52/16/613915216.db2.gz MCUOVTHUUQLZQV-CQSZACIVSA-N 2 2 253.390 0.977 20 0 CCADLP CC(C)NC(=O)NCC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931316481 613925910 /nfs/dbraw/zinc/92/59/10/613925910.db2.gz IHHXCLBZGQKNNL-GASCZTMLSA-N 2 2 282.432 0.968 20 0 CCADLP CC(C)NC(=O)NCC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931316481 613925911 /nfs/dbraw/zinc/92/59/11/613925911.db2.gz IHHXCLBZGQKNNL-GASCZTMLSA-N 2 2 282.432 0.968 20 0 CCADLP CC(C)NC(=O)NCC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931316481 613925913 /nfs/dbraw/zinc/92/59/13/613925913.db2.gz IHHXCLBZGQKNNL-GASCZTMLSA-N 2 2 282.432 0.968 20 0 CCADLP CC(C)NC(=O)NCC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931316481 613925914 /nfs/dbraw/zinc/92/59/14/613925914.db2.gz IHHXCLBZGQKNNL-GASCZTMLSA-N 2 2 282.432 0.968 20 0 CCADLP CC(C)(C)N1CC[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1=O ZINC000925709291 613937641 /nfs/dbraw/zinc/93/76/41/613937641.db2.gz HQYAJALHDRNING-XNBXPENISA-N 2 2 277.412 0.972 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000869225649 613942254 /nfs/dbraw/zinc/94/22/54/613942254.db2.gz MSLVKWDVPIZYCY-NNTXTVRGSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000869225649 613942256 /nfs/dbraw/zinc/94/22/56/613942256.db2.gz MSLVKWDVPIZYCY-NNTXTVRGSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)[NH2+][C@@H](C)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC000979426989 613966085 /nfs/dbraw/zinc/96/60/85/613966085.db2.gz GXHFZPFGTJCRRQ-NWDGAFQWSA-N 2 2 280.372 0.566 20 0 CCADLP CC(C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000939534826 613975250 /nfs/dbraw/zinc/97/52/50/613975250.db2.gz MTQXUMGPZAODPR-DGCLKSJQSA-N 2 2 264.373 0.808 20 0 CCADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000130140947 614021642 /nfs/dbraw/zinc/02/16/42/614021642.db2.gz XCCXIVOKNFMQFY-CHWSQXEVSA-N 2 2 294.399 0.793 20 0 CCADLP CC(C)(C)n1cc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])c(=O)[nH]c1=O ZINC000925809807 614061434 /nfs/dbraw/zinc/06/14/34/614061434.db2.gz XCNXUFLKIZRSGW-GHMZBOCLSA-N 2 2 280.372 0.673 20 0 CCADLP CC(C)CC[C@H](O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000923332503 614061519 /nfs/dbraw/zinc/06/15/19/614061519.db2.gz KIIBQQKWWCKSCB-GJZGRUSLSA-N 2 2 297.443 0.680 20 0 CCADLP CC(C)CC[C@H](O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000923332503 614061520 /nfs/dbraw/zinc/06/15/20/614061520.db2.gz KIIBQQKWWCKSCB-GJZGRUSLSA-N 2 2 297.443 0.680 20 0 CCADLP CC(C)(C[NH+]1CCCC1)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868807355 614089441 /nfs/dbraw/zinc/08/94/41/614089441.db2.gz OQZBTALVBPFEDD-AATRIKPKSA-N 2 2 295.427 0.865 20 0 CCADLP CC(C)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000970340361 614148721 /nfs/dbraw/zinc/14/87/21/614148721.db2.gz VJWGBINEDQQIQX-LLVKDONJSA-N 2 2 250.346 0.799 20 0 CCADLP CC(C)C[C@@H](C[NH3+])NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000911814320 614189288 /nfs/dbraw/zinc/18/92/88/614189288.db2.gz RHILJNVZHCVVSL-RYUDHWBXSA-N 2 2 264.373 0.935 20 0 CCADLP CC(C)C[C@@H](CNC(=O)/C=C/C[NH+]1CCOCC1)[NH+](C)C ZINC000865786668 614189364 /nfs/dbraw/zinc/18/93/64/614189364.db2.gz QXFYRCKEUYVFBP-NFAHFFEMSA-N 2 2 297.443 0.967 20 0 CCADLP CC(C)C[C@@H]([NH3+])C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000906092750 614192814 /nfs/dbraw/zinc/19/28/14/614192814.db2.gz BSBOXZRYUXTRDV-JHJVBQTASA-N 2 2 271.405 0.585 20 0 CCADLP CC(C)C[C@@H]([NH3+])C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000906092750 614192817 /nfs/dbraw/zinc/19/28/17/614192817.db2.gz BSBOXZRYUXTRDV-JHJVBQTASA-N 2 2 271.405 0.585 20 0 CCADLP CC(C)=CC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000980893852 614292103 /nfs/dbraw/zinc/29/21/03/614292103.db2.gz PLESUTDCFVURNZ-OAHLLOKOSA-N 2 2 295.427 0.818 20 0 CCADLP CC(C)=CC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000980893852 614292104 /nfs/dbraw/zinc/29/21/04/614292104.db2.gz PLESUTDCFVURNZ-OAHLLOKOSA-N 2 2 295.427 0.818 20 0 CCADLP CC(C)=CC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000980893852 614292105 /nfs/dbraw/zinc/29/21/05/614292105.db2.gz PLESUTDCFVURNZ-OAHLLOKOSA-N 2 2 295.427 0.818 20 0 CCADLP CC(C)=CC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000980893852 614292106 /nfs/dbraw/zinc/29/21/06/614292106.db2.gz PLESUTDCFVURNZ-OAHLLOKOSA-N 2 2 295.427 0.818 20 0 CCADLP CC(C)[NH+]1CCC(O)(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000830168815 614326695 /nfs/dbraw/zinc/32/66/95/614326695.db2.gz QYIFDIPJWLIVFW-UHFFFAOYSA-N 2 2 280.372 0.304 20 0 CCADLP CCN(C(=O)C1CC[NH+](C)CC1)C1C[NH+](CCOC)C1 ZINC000951605442 614588054 /nfs/dbraw/zinc/58/80/54/614588054.db2.gz FAGSHDWVGKGFAW-UHFFFAOYSA-N 2 2 283.416 0.507 20 0 CCADLP CCN(C(=O)NCC[NH+]1CCO[C@@H](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000853605683 614599160 /nfs/dbraw/zinc/59/91/60/614599160.db2.gz NXZSCRWCWYDORX-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP CCN(C(=O)NCC[NH+]1CCO[C@@H](C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000853605683 614599164 /nfs/dbraw/zinc/59/91/64/614599164.db2.gz NXZSCRWCWYDORX-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP CCN(C(=O)NCC[N@@H+]1CCO[C@@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000853605683 614599167 /nfs/dbraw/zinc/59/91/67/614599167.db2.gz NXZSCRWCWYDORX-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP CCN(C(=O)NCC[N@H+]1CCO[C@@H](C)C1)[C@@H]1CC[NH+](C)C1 ZINC000853605683 614599169 /nfs/dbraw/zinc/59/91/69/614599169.db2.gz NXZSCRWCWYDORX-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1C[NH+](CCO)C1 ZINC000957279581 614675827 /nfs/dbraw/zinc/67/58/27/614675827.db2.gz YHYVYMXRKNGGLZ-KBPBESRZSA-N 2 2 297.443 0.632 20 0 CCADLP CC1(C)C[NH2+]C[C@@H]1[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000903824636 614707825 /nfs/dbraw/zinc/70/78/25/614707825.db2.gz SFLISOBDHYTLCX-ZDUSSCGKSA-N 2 2 287.363 0.870 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(O)(C2CCC2)CC1 ZINC000932816698 614849660 /nfs/dbraw/zinc/84/96/60/614849660.db2.gz SFVFPXRFVZYJBO-CQSZACIVSA-N 2 2 270.417 0.926 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(O)(C2CCC2)CC1 ZINC000932816698 614849662 /nfs/dbraw/zinc/84/96/62/614849662.db2.gz SFVFPXRFVZYJBO-CQSZACIVSA-N 2 2 270.417 0.926 20 0 CCADLP CCCNC(=O)C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886865936 614851982 /nfs/dbraw/zinc/85/19/82/614851982.db2.gz YHLGXSIYBYWQRQ-CQSZACIVSA-N 2 2 253.390 0.978 20 0 CCADLP CCCNC(=O)C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886865936 614851985 /nfs/dbraw/zinc/85/19/85/614851985.db2.gz YHLGXSIYBYWQRQ-CQSZACIVSA-N 2 2 253.390 0.978 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)N(C)OC)CC1 ZINC000846915314 614865849 /nfs/dbraw/zinc/86/58/49/614865849.db2.gz SEVKJKCTBMLXBR-ZDUSSCGKSA-N 2 2 287.404 0.031 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)N(C)OC)CC1 ZINC000846915314 614865850 /nfs/dbraw/zinc/86/58/50/614865850.db2.gz SEVKJKCTBMLXBR-ZDUSSCGKSA-N 2 2 287.404 0.031 20 0 CCADLP CCn1c[nH+]c2c1CCN(C[C@@H](O)C[N@H+](C)CC)C2 ZINC000933254614 614867250 /nfs/dbraw/zinc/86/72/50/614867250.db2.gz DCESUIFBEDOITG-LBPRGKRZSA-N 2 2 266.389 0.574 20 0 CCADLP CCn1c[nH+]c2c1CCN(C[C@@H](O)C[N@@H+](C)CC)C2 ZINC000933254614 614867252 /nfs/dbraw/zinc/86/72/52/614867252.db2.gz DCESUIFBEDOITG-LBPRGKRZSA-N 2 2 266.389 0.574 20 0 CCADLP CC[N@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000960909700 614871848 /nfs/dbraw/zinc/87/18/48/614871848.db2.gz JSYSFXXRARACDT-GFCCVEGCSA-N 2 2 250.346 0.895 20 0 CCADLP CC[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000960909700 614871849 /nfs/dbraw/zinc/87/18/49/614871849.db2.gz JSYSFXXRARACDT-GFCCVEGCSA-N 2 2 250.346 0.895 20 0 CCADLP CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000971819733 614895363 /nfs/dbraw/zinc/89/53/63/614895363.db2.gz YFTQKZBKLOJBGT-GXTWGEPZSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000971819733 614895364 /nfs/dbraw/zinc/89/53/64/614895364.db2.gz YFTQKZBKLOJBGT-GXTWGEPZSA-N 2 2 276.384 0.998 20 0 CCADLP CC1(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)OCCO1 ZINC000817916525 614904541 /nfs/dbraw/zinc/90/45/41/614904541.db2.gz GZWGNQLQMXAWOY-NEPJUHHUSA-N 2 2 256.346 0.106 20 0 CCADLP CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000939534158 614904617 /nfs/dbraw/zinc/90/46/17/614904617.db2.gz IHJYUZVWWMVZPW-DGCLKSJQSA-N 2 2 264.373 0.809 20 0 CCADLP CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000971813914 614910564 /nfs/dbraw/zinc/91/05/64/614910564.db2.gz QTZPGFGGQOKROX-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000971813914 614910567 /nfs/dbraw/zinc/91/05/67/614910567.db2.gz QTZPGFGGQOKROX-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP CC1([NH+]2CCC2)CC[NH+](C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC000931701140 614912443 /nfs/dbraw/zinc/91/24/43/614912443.db2.gz WZSFOKKIMRSMDE-GOEBONIOSA-N 2 2 298.427 0.449 20 0 CCADLP CCCNc1cc(N2CC[C@@H](N3CC[NH2+]CC3)C2)nc[nH+]1 ZINC000872774036 614921880 /nfs/dbraw/zinc/92/18/80/614921880.db2.gz BWUSCGFNMGXQIF-CYBMUJFWSA-N 2 2 290.415 0.782 20 0 CCADLP CC[N@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1cnn(C)c1 ZINC000878031756 614938638 /nfs/dbraw/zinc/93/86/38/614938638.db2.gz CWYBSIBIOHNRPL-UHFFFAOYSA-N 2 2 293.415 0.452 20 0 CCADLP CC[N@@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1cnn(C)c1 ZINC000878031756 614938641 /nfs/dbraw/zinc/93/86/41/614938641.db2.gz CWYBSIBIOHNRPL-UHFFFAOYSA-N 2 2 293.415 0.452 20 0 CCADLP CC[NH+](CC)CCCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864440862 614991604 /nfs/dbraw/zinc/99/16/04/614991604.db2.gz QKZGVFHUFONCDV-FNORWQNLSA-N 2 2 283.416 0.723 20 0 CCADLP CC[NH+](CC)C[C@H](C)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865806096 615003209 /nfs/dbraw/zinc/00/32/09/615003209.db2.gz GCQDEJZNXJQVRC-AFNCTOJWSA-N 2 2 283.416 0.721 20 0 CCADLP CCN1C(=O)[C@H]2C[N@H+](C[C@@H]3CCCC[NH2+]C3)CCN2C1=O ZINC000903734125 615080473 /nfs/dbraw/zinc/08/04/73/615080473.db2.gz OUURMFPNDKJIKN-CHWSQXEVSA-N 2 2 294.399 0.344 20 0 CCADLP CCN1C(=O)[C@H]2C[N@@H+](C[C@@H]3CCCC[NH2+]C3)CCN2C1=O ZINC000903734125 615080474 /nfs/dbraw/zinc/08/04/74/615080474.db2.gz OUURMFPNDKJIKN-CHWSQXEVSA-N 2 2 294.399 0.344 20 0 CCADLP CC[NH2+]CC1CC(NC(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000962800561 615081012 /nfs/dbraw/zinc/08/10/12/615081012.db2.gz DTNZUCNHBRRLNE-PESDSKBTSA-N 2 2 295.427 0.602 20 0 CCADLP CC[NH+]1CCC2(CC1)CN(C(=O)Cn1cc[nH+]c1)CCO2 ZINC000949254249 615102461 /nfs/dbraw/zinc/10/24/61/615102461.db2.gz YHQIMBBNCUWBDP-UHFFFAOYSA-N 2 2 292.383 0.596 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865702587 615115566 /nfs/dbraw/zinc/11/55/66/615115566.db2.gz OUKPWCVAFLJQAI-ZKKXHLJNSA-N 2 2 295.427 0.865 20 0 CCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865702587 615115567 /nfs/dbraw/zinc/11/55/67/615115567.db2.gz OUKPWCVAFLJQAI-ZKKXHLJNSA-N 2 2 295.427 0.865 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000969436577 615117826 /nfs/dbraw/zinc/11/78/26/615117826.db2.gz KCOZNUSPOONJNJ-LLVKDONJSA-N 2 2 250.346 0.563 20 0 CCADLP CCN1CCC[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1=O ZINC000903389111 615129815 /nfs/dbraw/zinc/12/98/15/615129815.db2.gz SBZRXOQMPUSNKB-HUUCEWRRSA-N 2 2 295.427 0.840 20 0 CCADLP CCOC(=O)C1=CC[C@H]([NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)C1 ZINC000863544236 615166391 /nfs/dbraw/zinc/16/63/91/615166391.db2.gz OHLULJDQNUAOMO-UBHSHLNASA-N 2 2 282.384 0.995 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C)[C@@H](C(C)(C)C)C2)C1 ZINC000880612461 615169372 /nfs/dbraw/zinc/16/93/72/615169372.db2.gz IAXYWGCBGLLQCH-ZIAGYGMSSA-N 2 2 297.443 0.896 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](C)[C@@H](C(C)(C)C)C2)C1 ZINC000880612461 615169373 /nfs/dbraw/zinc/16/93/73/615169373.db2.gz IAXYWGCBGLLQCH-ZIAGYGMSSA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)C1 ZINC000880612461 615169374 /nfs/dbraw/zinc/16/93/74/615169374.db2.gz IAXYWGCBGLLQCH-ZIAGYGMSSA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)C1 ZINC000880612461 615169376 /nfs/dbraw/zinc/16/93/76/615169376.db2.gz IAXYWGCBGLLQCH-ZIAGYGMSSA-N 2 2 297.443 0.896 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000883336646 615252095 /nfs/dbraw/zinc/25/20/95/615252095.db2.gz RAXCMULSSYYZGP-MELADBBJSA-N 2 2 298.431 0.489 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000883336646 615252098 /nfs/dbraw/zinc/25/20/98/615252098.db2.gz RAXCMULSSYYZGP-MELADBBJSA-N 2 2 298.431 0.489 20 0 CCADLP CCOCC[C@H](O)C[N@@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000923411563 615300643 /nfs/dbraw/zinc/30/06/43/615300643.db2.gz NFCLMDGMMQOJBO-RWMBFGLXSA-N 2 2 260.378 0.212 20 0 CCADLP CCOCC[C@H](O)C[N@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000923411563 615300645 /nfs/dbraw/zinc/30/06/45/615300645.db2.gz NFCLMDGMMQOJBO-RWMBFGLXSA-N 2 2 260.378 0.212 20 0 CCADLP CCOC(=O)[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)CCO1 ZINC000846804994 615305304 /nfs/dbraw/zinc/30/53/04/615305304.db2.gz BXBJBBCSPAJJAX-ZDUSSCGKSA-N 2 2 281.356 0.617 20 0 CCADLP CCOC(=O)[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)CCO1 ZINC000846804994 615305306 /nfs/dbraw/zinc/30/53/06/615305306.db2.gz BXBJBBCSPAJJAX-ZDUSSCGKSA-N 2 2 281.356 0.617 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC1CC[NH+](CC(C)(C)O)CC1 ZINC000895672644 615326433 /nfs/dbraw/zinc/32/64/33/615326433.db2.gz XAVFXGNPDMQDES-AWEZNQCLSA-N 2 2 269.433 0.906 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC1CC[NH+](CC(C)(C)O)CC1 ZINC000895672644 615326434 /nfs/dbraw/zinc/32/64/34/615326434.db2.gz XAVFXGNPDMQDES-AWEZNQCLSA-N 2 2 269.433 0.906 20 0 CCADLP CCN1C[C@@H](C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)OC1=O ZINC000852762174 615344213 /nfs/dbraw/zinc/34/42/13/615344213.db2.gz IGSXACSCXXTIGV-UONOGXRCSA-N 2 2 299.415 0.870 20 0 CCADLP CCN1C[C@@H](C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)OC1=O ZINC000852762174 615344216 /nfs/dbraw/zinc/34/42/16/615344216.db2.gz IGSXACSCXXTIGV-UONOGXRCSA-N 2 2 299.415 0.870 20 0 CCADLP CC[C@@H](C(=O)N1CC[NH2+][C@H](C)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911812684 615372652 /nfs/dbraw/zinc/37/26/52/615372652.db2.gz UFDXSHBIJFATLQ-MCIONIFRSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@@H](C(=O)N1CC[NH2+][C@H](C)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000911812684 615372654 /nfs/dbraw/zinc/37/26/54/615372654.db2.gz UFDXSHBIJFATLQ-MCIONIFRSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@@H](C(=O)NCC1CC[NH2+]CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911671974 615380609 /nfs/dbraw/zinc/38/06/09/615380609.db2.gz HHGNMUILURVDQI-CABCVRRESA-N 2 2 297.443 0.992 20 0 CCADLP CC[C@@H](C(=O)NCC1CC[NH2+]CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000911671974 615380611 /nfs/dbraw/zinc/38/06/11/615380611.db2.gz HHGNMUILURVDQI-CABCVRRESA-N 2 2 297.443 0.992 20 0 CCADLP CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC000958259140 615423695 /nfs/dbraw/zinc/42/36/95/615423695.db2.gz ZSPIBDOCVFOHCG-YPMHNXCESA-N 2 2 288.351 0.377 20 0 CCADLP CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC000958259140 615423697 /nfs/dbraw/zinc/42/36/97/615423697.db2.gz ZSPIBDOCVFOHCG-YPMHNXCESA-N 2 2 288.351 0.377 20 0 CCADLP CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC000978709063 615432323 /nfs/dbraw/zinc/43/23/23/615432323.db2.gz KNNHOJFBFUUXMU-KSTCHIGDSA-N 2 2 288.395 0.838 20 0 CCADLP CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC000978709063 615432324 /nfs/dbraw/zinc/43/23/24/615432324.db2.gz KNNHOJFBFUUXMU-KSTCHIGDSA-N 2 2 288.395 0.838 20 0 CCADLP CC[C@@H](C[NH+]1CCN(C(=O)Cn2cc[nH+]c2)CC1)OC ZINC000957899733 615476037 /nfs/dbraw/zinc/47/60/37/615476037.db2.gz LANHRYMDZTWPJN-ZDUSSCGKSA-N 2 2 280.372 0.452 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC000928648192 615477052 /nfs/dbraw/zinc/47/70/52/615477052.db2.gz LMTINQDJTHMJQO-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)CCCC[NH+](C)C ZINC000928642542 615477211 /nfs/dbraw/zinc/47/72/11/615477211.db2.gz WPLKSXURZXUBDX-AWEZNQCLSA-N 2 2 285.432 0.945 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCC1([NH+](C)C)CC1 ZINC000922980691 615477914 /nfs/dbraw/zinc/47/79/14/615477914.db2.gz GRFOHOIQJZOBRA-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H](F)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC000962150586 615521483 /nfs/dbraw/zinc/52/14/83/615521483.db2.gz UMXVOYAFEKYZEY-PUHVVEEASA-N 2 2 280.347 0.747 20 0 CCADLP CC[C@@H](F)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC000962150586 615521484 /nfs/dbraw/zinc/52/14/84/615521484.db2.gz UMXVOYAFEKYZEY-PUHVVEEASA-N 2 2 280.347 0.747 20 0 CCADLP CC[C@H](C(=O)NCC[NH2+]C)[N@@H+]1CCO[C@H](CC)C1 ZINC000911749224 615565130 /nfs/dbraw/zinc/56/51/30/615565130.db2.gz YVICNYLFGGTQJN-VXGBXAGGSA-N 2 2 257.378 0.211 20 0 CCADLP CC[C@H](C(=O)NCC[NH2+]C)[N@H+]1CCO[C@H](CC)C1 ZINC000911749224 615565131 /nfs/dbraw/zinc/56/51/31/615565131.db2.gz YVICNYLFGGTQJN-VXGBXAGGSA-N 2 2 257.378 0.211 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CC[NH+](C)[C@H]1C ZINC000925353560 615567825 /nfs/dbraw/zinc/56/78/25/615567825.db2.gz HMFSPWYJTHZWET-MJBXVCDLSA-N 2 2 298.431 0.489 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CC[NH+](C)[C@H]1C ZINC000925353560 615567826 /nfs/dbraw/zinc/56/78/26/615567826.db2.gz HMFSPWYJTHZWET-MJBXVCDLSA-N 2 2 298.431 0.489 20 0 CCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000925353560 615567827 /nfs/dbraw/zinc/56/78/27/615567827.db2.gz HMFSPWYJTHZWET-MJBXVCDLSA-N 2 2 298.431 0.489 20 0 CCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000925353560 615567828 /nfs/dbraw/zinc/56/78/28/615567828.db2.gz HMFSPWYJTHZWET-MJBXVCDLSA-N 2 2 298.431 0.489 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000877435262 615568552 /nfs/dbraw/zinc/56/85/52/615568552.db2.gz ZOXOZMMWLFLREH-UPJWGTAASA-N 2 2 269.389 0.211 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000877435262 615568553 /nfs/dbraw/zinc/56/85/53/615568553.db2.gz ZOXOZMMWLFLREH-UPJWGTAASA-N 2 2 269.389 0.211 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)CC[N@@H+]1C ZINC000913458966 615584622 /nfs/dbraw/zinc/58/46/22/615584622.db2.gz YXYDOQZMYVEDBI-MELADBBJSA-N 2 2 291.399 0.613 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)CC[N@H+]1C ZINC000913458966 615584623 /nfs/dbraw/zinc/58/46/23/615584623.db2.gz YXYDOQZMYVEDBI-MELADBBJSA-N 2 2 291.399 0.613 20 0 CCADLP CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1)[NH+](C)C ZINC000969077527 615602643 /nfs/dbraw/zinc/60/26/43/615602643.db2.gz VITBMICQJPOMCX-ZYHUDNBSSA-N 2 2 281.360 0.100 20 0 CCADLP CCc1cc(N(C)CC[N@H+](C)CCO)nc(CC)[nH+]1 ZINC000894590982 615651363 /nfs/dbraw/zinc/65/13/63/615651363.db2.gz JKAFUGPIUDOAAX-UHFFFAOYSA-N 2 2 266.389 0.962 20 0 CCADLP CCc1cc(N(C)CC[N@@H+](C)CCO)nc(CC)[nH+]1 ZINC000894590982 615651364 /nfs/dbraw/zinc/65/13/64/615651364.db2.gz JKAFUGPIUDOAAX-UHFFFAOYSA-N 2 2 266.389 0.962 20 0 CCADLP CCn1nc(C)c([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)n1 ZINC000924988429 615669187 /nfs/dbraw/zinc/66/91/87/615669187.db2.gz AYDKAEFILHVAGK-CHWSQXEVSA-N 2 2 294.447 0.893 20 0 CCADLP C[NH+](C)C1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000913389714 615845523 /nfs/dbraw/zinc/84/55/23/615845523.db2.gz FBYZXLZVMSXPQB-UHFFFAOYSA-N 2 2 250.346 0.895 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH2+][C@@H](c2ccc(F)cc2)C1 ZINC000874896724 615864070 /nfs/dbraw/zinc/86/40/70/615864070.db2.gz PWXBKBVYTSHYTA-CYBMUJFWSA-N 2 2 265.332 0.860 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNc1nc(N)nc(C2CC2)n1 ZINC000894521969 615879832 /nfs/dbraw/zinc/87/98/32/615879832.db2.gz XGHKDJZOJXJALW-UHFFFAOYSA-N 2 2 293.419 0.627 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNc1nc(N)nc(C2CC2)n1 ZINC000894521969 615879833 /nfs/dbraw/zinc/87/98/33/615879833.db2.gz XGHKDJZOJXJALW-UHFFFAOYSA-N 2 2 293.419 0.627 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccnc(F)c1 ZINC000855416306 615880113 /nfs/dbraw/zinc/88/01/13/615880113.db2.gz KDFHPVDVEZBDJI-UHFFFAOYSA-N 2 2 282.363 0.834 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccnc(F)c1 ZINC000855416306 615880114 /nfs/dbraw/zinc/88/01/14/615880114.db2.gz KDFHPVDVEZBDJI-UHFFFAOYSA-N 2 2 282.363 0.834 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCn1cc([C@@H](O)C2CC2)nn1 ZINC000864646147 615880167 /nfs/dbraw/zinc/88/01/67/615880167.db2.gz VBHNNYGPKBORAM-AWEZNQCLSA-N 2 2 281.404 0.605 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCn1cc([C@@H](O)C2CC2)nn1 ZINC000864646147 615880169 /nfs/dbraw/zinc/88/01/69/615880169.db2.gz VBHNNYGPKBORAM-AWEZNQCLSA-N 2 2 281.404 0.605 20 0 CCADLP C[NH+](C)CCN(C(=O)c1n[nH]c2c1C[NH2+]CC2)C1CC1 ZINC000832159174 615889200 /nfs/dbraw/zinc/88/92/00/615889200.db2.gz XFXSDOXHGAUAKI-UHFFFAOYSA-N 2 2 277.372 0.222 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@]1(CC)CCC[NH2+]1 ZINC000877433942 615926961 /nfs/dbraw/zinc/92/69/61/615926961.db2.gz KROYXHMTEMWVGX-DZGCQCFKSA-N 2 2 283.416 0.746 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@]1(CC)CCC[NH2+]1 ZINC000877433942 615926962 /nfs/dbraw/zinc/92/69/62/615926962.db2.gz KROYXHMTEMWVGX-DZGCQCFKSA-N 2 2 283.416 0.746 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872312046 615927256 /nfs/dbraw/zinc/92/72/56/615927256.db2.gz LUGOIELITSPSKN-OSFYFWSMSA-N 2 2 281.400 0.341 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872312046 615927258 /nfs/dbraw/zinc/92/72/58/615927258.db2.gz LUGOIELITSPSKN-OSFYFWSMSA-N 2 2 281.400 0.341 20 0 CCADLP C[NH+](C)C[C@@H]1NC(=O)N(Cc2cn3c([nH+]2)CCCC3)C1=O ZINC000924574835 615933589 /nfs/dbraw/zinc/93/35/89/615933589.db2.gz GHBYGAYJJMRLGW-NSHDSACASA-N 2 2 291.355 0.201 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCO[C@H]2CCOC2)C1 ZINC000930902619 615937053 /nfs/dbraw/zinc/93/70/53/615937053.db2.gz DBRJMKGSMUIIMK-KBPBESRZSA-N 2 2 272.389 0.180 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCO[C@H]2CCOC2)C1 ZINC000930902619 615937054 /nfs/dbraw/zinc/93/70/54/615937054.db2.gz DBRJMKGSMUIIMK-KBPBESRZSA-N 2 2 272.389 0.180 20 0 CCADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@@H](CC(N)=O)C2)s1 ZINC000809785673 615957714 /nfs/dbraw/zinc/95/77/14/615957714.db2.gz YSYQQELDTSLDBP-JTQLQIEISA-N 2 2 282.413 0.902 20 0 CCADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@@H](CC(N)=O)C2)s1 ZINC000809785673 615957717 /nfs/dbraw/zinc/95/77/17/615957717.db2.gz YSYQQELDTSLDBP-JTQLQIEISA-N 2 2 282.413 0.902 20 0 CCADLP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000829703526 615992875 /nfs/dbraw/zinc/99/28/75/615992875.db2.gz GKMRFGDQJTYDSH-MNOVXSKESA-N 2 2 250.346 0.941 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCC(=O)NC3CCCC3)C[C@H]21 ZINC000931280274 615997315 /nfs/dbraw/zinc/99/73/15/615997315.db2.gz VRYDAKRHNAJVBY-NHAGDIPZSA-N 2 2 265.401 0.927 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCC(=O)NC3CCCC3)C[C@H]21 ZINC000931280274 615997317 /nfs/dbraw/zinc/99/73/17/615997317.db2.gz VRYDAKRHNAJVBY-NHAGDIPZSA-N 2 2 265.401 0.927 20 0 CCADLP CCn1cc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)nn1 ZINC000892535261 615998615 /nfs/dbraw/zinc/99/86/15/615998615.db2.gz IBRWFBSQWBQEMS-OAHLLOKOSA-N 2 2 294.447 0.660 20 0 CCADLP C[N@H+](CC(=O)N[C@@H]1CCn2c[nH+]cc21)[C@H]1CCSC1 ZINC000857979905 616048744 /nfs/dbraw/zinc/04/87/44/616048744.db2.gz GOJZOUDJRYFNNA-WDEREUQCSA-N 2 2 280.397 0.881 20 0 CCADLP C[N@@H+](CC(=O)N[C@@H]1CCn2c[nH+]cc21)[C@H]1CCSC1 ZINC000857979905 616048745 /nfs/dbraw/zinc/04/87/45/616048745.db2.gz GOJZOUDJRYFNNA-WDEREUQCSA-N 2 2 280.397 0.881 20 0 CCADLP C[N@H+](CCCCNC(=O)/C=C/C[NH+]1CCOCC1)C1CC1 ZINC000868823741 616072630 /nfs/dbraw/zinc/07/26/30/616072630.db2.gz YGIREPPJAXCDIB-SNAWJCMRSA-N 2 2 295.427 0.865 20 0 CCADLP C[N@@H+](CCCCNC(=O)/C=C/C[NH+]1CCOCC1)C1CC1 ZINC000868823741 616072631 /nfs/dbraw/zinc/07/26/31/616072631.db2.gz YGIREPPJAXCDIB-SNAWJCMRSA-N 2 2 295.427 0.865 20 0 CCADLP CN(CCC[NH3+])Cc1cn(Cc2ccc(N)[nH+]c2)nn1 ZINC000905814921 616074386 /nfs/dbraw/zinc/07/43/86/616074386.db2.gz CSTWUXKQQUKAQV-UHFFFAOYSA-N 2 2 275.360 0.084 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+](C[C@@H](O)CC(C)(C)O)CC1 ZINC000878109370 616075845 /nfs/dbraw/zinc/07/58/45/616075845.db2.gz PNVVKBCLFKYDBK-AWEZNQCLSA-N 2 2 288.432 0.287 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+](C[C@@H](O)CC(C)(C)O)CC1 ZINC000878109370 616075846 /nfs/dbraw/zinc/07/58/46/616075846.db2.gz PNVVKBCLFKYDBK-AWEZNQCLSA-N 2 2 288.432 0.287 20 0 CCADLP C[N@H+](CCNC(=O)/C=C\C[NH+]1CCOCC1)C1CC1 ZINC000865003727 616090760 /nfs/dbraw/zinc/09/07/60/616090760.db2.gz OIHCEGBPSJXHGF-IHWYPQMZSA-N 2 2 267.373 0.085 20 0 CCADLP C[N@@H+](CCNC(=O)/C=C\C[NH+]1CCOCC1)C1CC1 ZINC000865003727 616090762 /nfs/dbraw/zinc/09/07/62/616090762.db2.gz OIHCEGBPSJXHGF-IHWYPQMZSA-N 2 2 267.373 0.085 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]CCOC1CCOCC1)C1CC1 ZINC000905606246 616131459 /nfs/dbraw/zinc/13/14/59/616131459.db2.gz DTTMLTIKFLTPFI-ZDUSSCGKSA-N 2 2 272.389 0.227 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]CCOC1CCOCC1)C1CC1 ZINC000905606246 616131460 /nfs/dbraw/zinc/13/14/60/616131460.db2.gz DTTMLTIKFLTPFI-ZDUSSCGKSA-N 2 2 272.389 0.227 20 0 CCADLP C[N@@H+](Cc1cc[nH]n1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903739196 616165651 /nfs/dbraw/zinc/16/56/51/616165651.db2.gz FCUNBQYENSXLJA-CHWSQXEVSA-N 2 2 250.346 0.610 20 0 CCADLP C[N@H+](Cc1cc[nH]n1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903739196 616165652 /nfs/dbraw/zinc/16/56/52/616165652.db2.gz FCUNBQYENSXLJA-CHWSQXEVSA-N 2 2 250.346 0.610 20 0 CCADLP C[NH+]1CCC2(CCN(C(=O)[C@H](O)c3c[nH+]c[nH]3)C2)CC1 ZINC000868410228 616176585 /nfs/dbraw/zinc/17/65/85/616176585.db2.gz DOJSFPCBSPJQEU-GFCCVEGCSA-N 2 2 278.356 0.387 20 0 CCADLP C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC000830401453 616215492 /nfs/dbraw/zinc/21/54/92/616215492.db2.gz KRFDSCCLUBZLPZ-RYUDHWBXSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@H+]1CCC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC000830401453 616215493 /nfs/dbraw/zinc/21/54/93/616215493.db2.gz KRFDSCCLUBZLPZ-RYUDHWBXSA-N 2 2 262.357 0.895 20 0 CCADLP CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC000913507443 616260823 /nfs/dbraw/zinc/26/08/23/616260823.db2.gz PDDDUOCMWLJTLK-ILXRZTDVSA-N 2 2 295.427 0.792 20 0 CCADLP CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC000913507443 616260824 /nfs/dbraw/zinc/26/08/24/616260824.db2.gz PDDDUOCMWLJTLK-ILXRZTDVSA-N 2 2 295.427 0.792 20 0 CCADLP CN(C[C@@H]1C[NH+](C)CCO1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000913507443 616260825 /nfs/dbraw/zinc/26/08/25/616260825.db2.gz PDDDUOCMWLJTLK-ILXRZTDVSA-N 2 2 295.427 0.792 20 0 CCADLP CN(C[C@@H]1C[NH+](C)CCO1)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000913507443 616260826 /nfs/dbraw/zinc/26/08/26/616260826.db2.gz PDDDUOCMWLJTLK-ILXRZTDVSA-N 2 2 295.427 0.792 20 0 CCADLP Cn1c[nH+]cc1CN1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000957653167 616264849 /nfs/dbraw/zinc/26/48/49/616264849.db2.gz ICIJYVKQBCQMJB-CYBMUJFWSA-N 2 2 291.399 0.016 20 0 CCADLP Cn1c[nH+]cc1CN1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000957653167 616264850 /nfs/dbraw/zinc/26/48/50/616264850.db2.gz ICIJYVKQBCQMJB-CYBMUJFWSA-N 2 2 291.399 0.016 20 0 CCADLP C[N@@H+]1CC[C@@H](CC(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)C1 ZINC000913458507 616268705 /nfs/dbraw/zinc/26/87/05/616268705.db2.gz PABBUMZHPLSORZ-WCQYABFASA-N 2 2 277.372 0.224 20 0 CCADLP C[N@H+]1CC[C@@H](CC(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)C1 ZINC000913458507 616268706 /nfs/dbraw/zinc/26/87/06/616268706.db2.gz PABBUMZHPLSORZ-WCQYABFASA-N 2 2 277.372 0.224 20 0 CCADLP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H]3CN(C4CC4)C(=O)O3)C2)C1 ZINC000844331136 616354166 /nfs/dbraw/zinc/35/41/66/616354166.db2.gz HGEUHDNEMRCAEA-DZGCQCFKSA-N 2 2 279.384 0.997 20 0 CCADLP C[N@H+]1CC[C@@]2(CC[NH+](C[C@H]3CN(C4CC4)C(=O)O3)C2)C1 ZINC000844331136 616354168 /nfs/dbraw/zinc/35/41/68/616354168.db2.gz HGEUHDNEMRCAEA-DZGCQCFKSA-N 2 2 279.384 0.997 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@H+](C[C@H]3CN(C4CC4)C(=O)O3)C2)C1 ZINC000844331136 616354170 /nfs/dbraw/zinc/35/41/70/616354170.db2.gz HGEUHDNEMRCAEA-DZGCQCFKSA-N 2 2 279.384 0.997 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@H]3CN(C4CC4)C(=O)O3)C2)C1 ZINC000844331136 616354171 /nfs/dbraw/zinc/35/41/71/616354171.db2.gz HGEUHDNEMRCAEA-DZGCQCFKSA-N 2 2 279.384 0.997 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC000951628162 616365830 /nfs/dbraw/zinc/36/58/30/616365830.db2.gz JNFYZKIBIIKXOU-LSDHHAIUSA-N 2 2 295.427 0.794 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC000951628162 616365832 /nfs/dbraw/zinc/36/58/32/616365832.db2.gz JNFYZKIBIIKXOU-LSDHHAIUSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@@H+]1C[C@@H]2C[NH+](CCCNC(=O)C(F)(F)F)C[C@]2(C)C1 ZINC000933736809 616383548 /nfs/dbraw/zinc/38/35/48/616383548.db2.gz IVOHIPYCBQYBIT-PWSUYJOCSA-N 2 2 293.333 0.939 20 0 CCADLP C[N@H+]1C[C@@H]2C[NH+](CCCNC(=O)C(F)(F)F)C[C@]2(C)C1 ZINC000933736809 616383554 /nfs/dbraw/zinc/38/35/54/616383554.db2.gz IVOHIPYCBQYBIT-PWSUYJOCSA-N 2 2 293.333 0.939 20 0 CCADLP C[NH+]1C[C@@H]2C[N@H+](CCCNC(=O)C(F)(F)F)C[C@]2(C)C1 ZINC000933736809 616383557 /nfs/dbraw/zinc/38/35/57/616383557.db2.gz IVOHIPYCBQYBIT-PWSUYJOCSA-N 2 2 293.333 0.939 20 0 CCADLP C[NH+]1C[C@@H]2C[N@@H+](CCCNC(=O)C(F)(F)F)C[C@]2(C)C1 ZINC000933736809 616383560 /nfs/dbraw/zinc/38/35/60/616383560.db2.gz IVOHIPYCBQYBIT-PWSUYJOCSA-N 2 2 293.333 0.939 20 0 CCADLP COC/C(C)=C\C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000930904721 616387992 /nfs/dbraw/zinc/38/79/92/616387992.db2.gz VDMYTAJDTYPOQR-XMRSSTEGSA-N 2 2 256.390 0.968 20 0 CCADLP COC/C(C)=C\C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000930904721 616387996 /nfs/dbraw/zinc/38/79/96/616387996.db2.gz VDMYTAJDTYPOQR-XMRSSTEGSA-N 2 2 256.390 0.968 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000947928465 616392855 /nfs/dbraw/zinc/39/28/55/616392855.db2.gz ATBDNUXWDNUXGJ-QWHCGFSZSA-N 2 2 294.399 0.578 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000947928465 616392860 /nfs/dbraw/zinc/39/28/60/616392860.db2.gz ATBDNUXWDNUXGJ-QWHCGFSZSA-N 2 2 294.399 0.578 20 0 CCADLP C[NH+]1C[C@@]2(C)C[NH+](CCN3CCNC3=O)C[C@]2(C)C1 ZINC000931314925 616395890 /nfs/dbraw/zinc/39/58/90/616395890.db2.gz SGIKKISCFDLAMI-KBPBESRZSA-N 2 2 266.389 0.285 20 0 CCADLP CN1CC(=O)N(CC[NH+]2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)C1=O ZINC000931316209 616396044 /nfs/dbraw/zinc/39/60/44/616396044.db2.gz HKMBYXKOWHHREC-GJZGRUSLSA-N 2 2 294.399 0.154 20 0 CCADLP C[NH+]1C[C@@]2(C)C[NH+](CCCN3CCOCC3)C[C@]2(C)C1 ZINC000931310767 616396052 /nfs/dbraw/zinc/39/60/52/616396052.db2.gz NCRGYSJJBJMDQB-HOTGVXAUSA-N 2 2 281.444 0.982 20 0 CCADLP C[NH+]1C[C@@]2(C)CN(CCC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC000931310767 616396058 /nfs/dbraw/zinc/39/60/58/616396058.db2.gz NCRGYSJJBJMDQB-HOTGVXAUSA-N 2 2 281.444 0.982 20 0 CCADLP Cn1nnnc1CC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931316968 616396554 /nfs/dbraw/zinc/39/65/54/616396554.db2.gz LSMOMOHOAQIGSJ-STQMWFEESA-N 2 2 264.377 0.026 20 0 CCADLP C[N@@H+]1CC[C@H]2C[NH+](CCN3CCNC3=O)CC[C@H]21 ZINC000879581335 616444762 /nfs/dbraw/zinc/44/47/62/616444762.db2.gz YMOFMANRFXDVPS-NWDGAFQWSA-N 2 2 252.362 0.038 20 0 CCADLP C[N@H+]1CC[C@H]2C[NH+](CCN3CCNC3=O)CC[C@H]21 ZINC000879581335 616444764 /nfs/dbraw/zinc/44/47/64/616444764.db2.gz YMOFMANRFXDVPS-NWDGAFQWSA-N 2 2 252.362 0.038 20 0 CCADLP C[NH+]1CC[C@H]2C[N@H+](CCN3CCNC3=O)CC[C@H]21 ZINC000879581335 616444766 /nfs/dbraw/zinc/44/47/66/616444766.db2.gz YMOFMANRFXDVPS-NWDGAFQWSA-N 2 2 252.362 0.038 20 0 CCADLP C[NH+]1CC[C@H]2C[N@@H+](CCN3CCNC3=O)CC[C@H]21 ZINC000879581335 616444768 /nfs/dbraw/zinc/44/47/68/616444768.db2.gz YMOFMANRFXDVPS-NWDGAFQWSA-N 2 2 252.362 0.038 20 0 CCADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000900446036 616495578 /nfs/dbraw/zinc/49/55/78/616495578.db2.gz KEGRJJAQIVDESX-IUODEOHRSA-N 2 2 292.383 0.571 20 0 CCADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000900446036 616495581 /nfs/dbraw/zinc/49/55/81/616495581.db2.gz KEGRJJAQIVDESX-IUODEOHRSA-N 2 2 292.383 0.571 20 0 CCADLP COC(=O)[C@@]1(C)CC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903898173 616543347 /nfs/dbraw/zinc/54/33/47/616543347.db2.gz LINNCHPXCYYGGK-KWQFWETISA-N 2 2 250.289 0.854 20 0 CCADLP COC(=O)[C@@]1(C)CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903898173 616543348 /nfs/dbraw/zinc/54/33/48/616543348.db2.gz LINNCHPXCYYGGK-KWQFWETISA-N 2 2 250.289 0.854 20 0 CCADLP COCCOCCOCC[N@@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903804434 616551000 /nfs/dbraw/zinc/55/10/00/616551000.db2.gz GKSJKLYZECVIRV-HUUCEWRRSA-N 2 2 286.416 0.869 20 0 CCADLP COCCOCCOCC[N@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903804434 616551002 /nfs/dbraw/zinc/55/10/02/616551002.db2.gz GKSJKLYZECVIRV-HUUCEWRRSA-N 2 2 286.416 0.869 20 0 CCADLP COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CCCCCCC[NH3+] ZINC000842476141 616653768 /nfs/dbraw/zinc/65/37/68/616653768.db2.gz HSFPYCNQORAARB-GFCCVEGCSA-N 2 2 285.388 0.259 20 0 CCADLP COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCCCCCC[NH3+] ZINC000842476141 616653772 /nfs/dbraw/zinc/65/37/72/616653772.db2.gz HSFPYCNQORAARB-GFCCVEGCSA-N 2 2 285.388 0.259 20 0 CCADLP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000870978693 616693150 /nfs/dbraw/zinc/69/31/50/616693150.db2.gz ABMFXAZOTNXTQF-STQMWFEESA-N 2 2 291.351 0.180 20 0 CCADLP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000870978693 616693152 /nfs/dbraw/zinc/69/31/52/616693152.db2.gz ABMFXAZOTNXTQF-STQMWFEESA-N 2 2 291.351 0.180 20 0 CCADLP CO[C@@H]1CC[C@@H]1[NH+](C)CC(O)C[N@@H+](C)[C@H]1CC[C@H]1OC ZINC000934115411 616694459 /nfs/dbraw/zinc/69/44/59/616694459.db2.gz GZNJOYUYQIEBOS-BYNSBNAKSA-N 2 2 286.416 0.566 20 0 CCADLP CO[C@@H]1CC[C@@H]1[NH+](C)CC(O)C[N@H+](C)[C@H]1CC[C@H]1OC ZINC000934115411 616694461 /nfs/dbraw/zinc/69/44/61/616694461.db2.gz GZNJOYUYQIEBOS-BYNSBNAKSA-N 2 2 286.416 0.566 20 0 CCADLP COCCC[NH+]1CCC([NH2+][C@H](C)c2cnnn2C)CC1 ZINC000924913672 616884660 /nfs/dbraw/zinc/88/46/60/616884660.db2.gz YLECBGZQBMNRIM-GFCCVEGCSA-N 2 2 281.404 0.967 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000923356503 616965313 /nfs/dbraw/zinc/96/53/13/616965313.db2.gz IXNVKTLSCBIVLW-JKSUJKDBSA-N 3 2 299.459 0.247 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000923356503 616965318 /nfs/dbraw/zinc/96/53/18/616965318.db2.gz IXNVKTLSCBIVLW-JKSUJKDBSA-N 3 2 299.459 0.247 20 0 CCADLP COC[C@@H]1COCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000933332700 616983493 /nfs/dbraw/zinc/98/34/93/616983493.db2.gz UYHQDNGPAXDZQA-CYBMUJFWSA-N 2 2 253.346 0.700 20 0 CCADLP COC[C@@H]1COCC[N@H+]1CCCc1c[nH+]cn1C ZINC000933332700 616983494 /nfs/dbraw/zinc/98/34/94/616983494.db2.gz UYHQDNGPAXDZQA-CYBMUJFWSA-N 2 2 253.346 0.700 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717321 616984131 /nfs/dbraw/zinc/98/41/31/616984131.db2.gz NFQKDLARXNYXKJ-KBPBESRZSA-N 3 2 267.417 0.829 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717321 616984135 /nfs/dbraw/zinc/98/41/35/616984135.db2.gz NFQKDLARXNYXKJ-KBPBESRZSA-N 3 2 267.417 0.829 20 0 CCADLP COC(=O)c1cncc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923516341 616988676 /nfs/dbraw/zinc/98/86/76/616988676.db2.gz ZLKACZNXBSDUAT-GXTWGEPZSA-N 2 2 275.352 0.910 20 0 CCADLP COC(=O)c1cncc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923516341 616988681 /nfs/dbraw/zinc/98/86/81/616988681.db2.gz ZLKACZNXBSDUAT-GXTWGEPZSA-N 2 2 275.352 0.910 20 0 CCADLP CON(C)C(=O)CC[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000819131474 617014472 /nfs/dbraw/zinc/01/44/72/617014472.db2.gz OAZOHGVMSOYVEF-LBPRGKRZSA-N 2 2 275.418 0.423 20 0 CCADLP COCC[NH+](CCOC)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903872533 617022578 /nfs/dbraw/zinc/02/25/78/617022578.db2.gz GNCGFFWTULIGGW-CYBMUJFWSA-N 2 2 297.403 0.297 20 0 CCADLP CNc1cc(N2CCN([C@H]3CCC[N@H+](C)C3)CC2)nc[nH+]1 ZINC000892560880 617058786 /nfs/dbraw/zinc/05/87/86/617058786.db2.gz JFMAYNRQVPQIEK-ZDUSSCGKSA-N 2 2 290.415 0.735 20 0 CCADLP CNc1cc(N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)nc[nH+]1 ZINC000892560880 617058790 /nfs/dbraw/zinc/05/87/90/617058790.db2.gz JFMAYNRQVPQIEK-ZDUSSCGKSA-N 2 2 290.415 0.735 20 0 CCADLP CO[C@H](C)C[N@@H+]1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000981079389 617059843 /nfs/dbraw/zinc/05/98/43/617059843.db2.gz DCXCYJVDDNKREY-CYBMUJFWSA-N 2 2 294.399 0.912 20 0 CCADLP CO[C@H](C)C[N@H+]1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000981079389 617059848 /nfs/dbraw/zinc/05/98/48/617059848.db2.gz DCXCYJVDDNKREY-CYBMUJFWSA-N 2 2 294.399 0.912 20 0 CCADLP COC[C@H](C)[NH+]1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC000949314798 617065122 /nfs/dbraw/zinc/06/51/22/617065122.db2.gz VACCNMTVLZFDFY-ZDUSSCGKSA-N 2 2 280.372 0.371 20 0 CCADLP CON1CC[C@H]([NH+]2CCC(c3c[nH]c[nH+]3)CC2)C1=O ZINC000930020630 617097591 /nfs/dbraw/zinc/09/75/91/617097591.db2.gz DZKBIAHJZCYAGI-LBPRGKRZSA-N 2 2 264.329 0.751 20 0 CCADLP CON1CC[C@H]([N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)C1=O ZINC000903445932 617097807 /nfs/dbraw/zinc/09/78/07/617097807.db2.gz OGZIRXVTLSMPEL-AGIUHOORSA-N 2 2 267.373 0.613 20 0 CCADLP CON1CC[C@H]([N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)C1=O ZINC000903445932 617097808 /nfs/dbraw/zinc/09/78/08/617097808.db2.gz OGZIRXVTLSMPEL-AGIUHOORSA-N 2 2 267.373 0.613 20 0 CCADLP COc1c(C)c[nH+]c(CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])c1C ZINC000852864195 617145744 /nfs/dbraw/zinc/14/57/44/617145744.db2.gz ZGVXSXPYPUKWJC-WCQYABFASA-N 2 2 293.367 0.687 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866209981 617147852 /nfs/dbraw/zinc/14/78/52/617147852.db2.gz XUPCLMARJOGJSY-NXEZZACHSA-N 2 2 263.345 0.598 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000866209981 617147853 /nfs/dbraw/zinc/14/78/53/617147853.db2.gz XUPCLMARJOGJSY-NXEZZACHSA-N 2 2 263.345 0.598 20 0 CCADLP CO[C@@H](C)C[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000977649699 617155663 /nfs/dbraw/zinc/15/56/63/617155663.db2.gz STPWEKZCMYDBRG-STQMWFEESA-N 2 2 294.399 0.745 20 0 CCADLP CO[C@@H](C)C[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000977649699 617155664 /nfs/dbraw/zinc/15/56/64/617155664.db2.gz STPWEKZCMYDBRG-STQMWFEESA-N 2 2 294.399 0.745 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000884202877 617164068 /nfs/dbraw/zinc/16/40/68/617164068.db2.gz JVFIJPITASFOFK-ZDUSSCGKSA-N 2 2 274.324 0.462 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2CC[C@H]([NH2+]CCO)[C@H]2C1 ZINC001026254874 625377576 /nfs/dbraw/zinc/37/75/76/625377576.db2.gz YFSJZEQKXHJMMX-AVGNSLFASA-N 2 2 292.383 0.161 20 0 CCADLP CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]12 ZINC001026365877 625414916 /nfs/dbraw/zinc/41/49/16/625414916.db2.gz CHCZCNMDNDRMEP-RAIGVLPGSA-N 2 2 262.357 0.799 20 0 CCADLP C[C@H]1CN(c2nccn3c[nH+]cc23)CC[N@@H+]1CCO ZINC000893278000 625417050 /nfs/dbraw/zinc/41/70/50/625417050.db2.gz YKLNTBSHOYOYKA-NSHDSACASA-N 2 2 261.329 0.232 20 0 CCADLP C[C@H]1CN(c2nccn3c[nH+]cc23)CC[N@H+]1CCO ZINC000893278000 625417052 /nfs/dbraw/zinc/41/70/52/625417052.db2.gz YKLNTBSHOYOYKA-NSHDSACASA-N 2 2 261.329 0.232 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH2+][C@H]2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)O1 ZINC001022888936 622834341 /nfs/dbraw/zinc/83/43/41/622834341.db2.gz UNLDLJKWDCRQDS-NDBYEHHHSA-N 2 2 292.383 0.757 20 0 CCADLP C[C@@H]1CC[C@H](C[NH2+][C@H]2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)O1 ZINC001022888933 622834473 /nfs/dbraw/zinc/83/44/73/622834473.db2.gz UNLDLJKWDCRQDS-FVCCEPFGSA-N 2 2 292.383 0.757 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@@H]([NH2+]Cc2cncs2)C1 ZINC001022889323 622836682 /nfs/dbraw/zinc/83/66/82/622836682.db2.gz BYARXQMBRUOWDQ-AOOOYVTPSA-N 2 2 291.380 0.846 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC2)C1 ZINC001022976588 622875064 /nfs/dbraw/zinc/87/50/64/622875064.db2.gz AYMUJRNFNRALMI-BETUJISGSA-N 2 2 276.384 1.000 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+](CCF)C2)C1 ZINC001023291271 622983423 /nfs/dbraw/zinc/98/34/23/622983423.db2.gz HBBBDHIAQFGVCW-QWHCGFSZSA-N 2 2 287.379 0.115 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[NH+](CCF)C2)C1 ZINC001023291271 622983426 /nfs/dbraw/zinc/98/34/26/622983426.db2.gz HBBBDHIAQFGVCW-QWHCGFSZSA-N 2 2 287.379 0.115 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@H+](CCF)C2)C1 ZINC001023291271 622983428 /nfs/dbraw/zinc/98/34/28/622983428.db2.gz HBBBDHIAQFGVCW-QWHCGFSZSA-N 2 2 287.379 0.115 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](CCF)C2)C1 ZINC001023291271 622983430 /nfs/dbraw/zinc/98/34/30/622983430.db2.gz HBBBDHIAQFGVCW-QWHCGFSZSA-N 2 2 287.379 0.115 20 0 CCADLP Cc1nnc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)s1 ZINC000892535414 623495394 /nfs/dbraw/zinc/49/53/94/623495394.db2.gz JQORSEKBRDHYIW-UHFFFAOYSA-N 2 2 283.445 0.962 20 0 CCADLP C[C@H](C[C@H]1CCC(=O)N1)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000926777145 623618408 /nfs/dbraw/zinc/61/84/08/623618408.db2.gz HFOBCLKRRLJWKX-UPJWGTAASA-N 2 2 283.416 0.478 20 0 CCADLP C[C@H](C[C@H]1CCC(=O)N1)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000926777145 623618414 /nfs/dbraw/zinc/61/84/14/623618414.db2.gz HFOBCLKRRLJWKX-UPJWGTAASA-N 2 2 283.416 0.478 20 0 CCADLP C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000926777134 623618854 /nfs/dbraw/zinc/61/88/54/623618854.db2.gz HFOBCLKRRLJWKX-AVGNSLFASA-N 2 2 283.416 0.478 20 0 CCADLP C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000926777134 623618856 /nfs/dbraw/zinc/61/88/56/623618856.db2.gz HFOBCLKRRLJWKX-AVGNSLFASA-N 2 2 283.416 0.478 20 0 CCADLP CC[C@@H](F)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001025719373 623876099 /nfs/dbraw/zinc/87/60/99/623876099.db2.gz MHXIMOOOWHMDGG-RGDJUOJXSA-N 2 2 299.390 0.112 20 0 CCADLP CC[C@@H](F)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001025719373 623876102 /nfs/dbraw/zinc/87/61/02/623876102.db2.gz MHXIMOOOWHMDGG-RGDJUOJXSA-N 2 2 299.390 0.112 20 0 CCADLP CC[C@@H](F)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001025719373 623876104 /nfs/dbraw/zinc/87/61/04/623876104.db2.gz MHXIMOOOWHMDGG-RGDJUOJXSA-N 2 2 299.390 0.112 20 0 CCADLP CC[C@@H](F)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001025719373 623876105 /nfs/dbraw/zinc/87/61/05/623876105.db2.gz MHXIMOOOWHMDGG-RGDJUOJXSA-N 2 2 299.390 0.112 20 0 CCADLP C[NH+]1CCN(CCC[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000328470015 623883514 /nfs/dbraw/zinc/88/35/14/623883514.db2.gz ZEXQJNVNLCNMTG-ZVDSWSACSA-N 3 2 278.444 0.210 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH2+]Cc2ccon2)C1 ZINC000969353735 624488895 /nfs/dbraw/zinc/48/88/95/624488895.db2.gz VWMOLKVZASDDQE-CYBMUJFWSA-N 2 2 289.339 0.570 20 0 CCADLP CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001020434801 624477199 /nfs/dbraw/zinc/47/71/99/624477199.db2.gz NRRREUVMSOQVEV-RBSFLKMASA-N 2 2 295.427 0.744 20 0 CCADLP CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001020434801 624477200 /nfs/dbraw/zinc/47/72/00/624477200.db2.gz NRRREUVMSOQVEV-RBSFLKMASA-N 2 2 295.427 0.744 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]([NH2+]CCn2cccn2)C1 ZINC001020817840 624606757 /nfs/dbraw/zinc/60/67/57/624606757.db2.gz CUZUNXWZNQZWRC-HAQNSBGRSA-N 2 2 288.355 0.086 20 0 CCADLP C[C@H]1COC[C@@H]1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000926022423 624641191 /nfs/dbraw/zinc/64/11/91/624641191.db2.gz OCQWVBFZUBBXMW-STQMWFEESA-N 2 2 286.420 0.204 20 0 CCADLP C[C@H]1COC[C@@H]1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000926022423 624641195 /nfs/dbraw/zinc/64/11/95/624641195.db2.gz OCQWVBFZUBBXMW-STQMWFEESA-N 2 2 286.420 0.204 20 0 CCADLP Cc1ncoc1C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000970856990 624771273 /nfs/dbraw/zinc/77/12/73/624771273.db2.gz WWTVRPVOQBHUMR-GFCCVEGCSA-N 2 2 289.339 0.570 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891350852 624822352 /nfs/dbraw/zinc/82/23/52/624822352.db2.gz WDPBQTQIZLPCDM-MCIONIFRSA-N 2 2 296.415 0.243 20 0 CCADLP C[C@H](NC(=O)NCc1cc(N)cc[nH+]1)[C@@H]1C[N@H+](C)CCO1 ZINC000891698205 624907791 /nfs/dbraw/zinc/90/77/91/624907791.db2.gz NAVRSMONYOPVJW-GWCFXTLKSA-N 2 2 293.371 0.182 20 0 CCADLP C[C@H](NC(=O)NCc1cc(N)cc[nH+]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000891698205 624907794 /nfs/dbraw/zinc/90/77/94/624907794.db2.gz NAVRSMONYOPVJW-GWCFXTLKSA-N 2 2 293.371 0.182 20 0 CCADLP C[C@@H](NC(=O)NCc1cc(N)cc[nH+]1)[C@H]1C[N@H+](C)CCO1 ZINC000891698208 624907825 /nfs/dbraw/zinc/90/78/25/624907825.db2.gz NAVRSMONYOPVJW-ZWNOBZJWSA-N 2 2 293.371 0.182 20 0 CCADLP C[C@@H](NC(=O)NCc1cc(N)cc[nH+]1)[C@H]1C[N@@H+](C)CCO1 ZINC000891698208 624907828 /nfs/dbraw/zinc/90/78/28/624907828.db2.gz NAVRSMONYOPVJW-ZWNOBZJWSA-N 2 2 293.371 0.182 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC[C@@H]1CC(=O)N(C)C1 ZINC000903219231 634544713 /nfs/dbraw/zinc/54/47/13/634544713.db2.gz PLLQBHAAPZNQEG-BZPMIXESSA-N 2 2 265.401 0.927 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC[C@@H]1CC(=O)N(C)C1 ZINC000903219231 634544721 /nfs/dbraw/zinc/54/47/21/634544721.db2.gz PLLQBHAAPZNQEG-BZPMIXESSA-N 2 2 265.401 0.927 20 0 CCADLP O=S1(=O)CCC[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000903470748 634572091 /nfs/dbraw/zinc/57/20/91/634572091.db2.gz CGIUOVUMMIETLW-VXGBXAGGSA-N 2 2 272.414 0.685 20 0 CCADLP O=C1CCC(=O)N1CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903486251 634573912 /nfs/dbraw/zinc/57/39/12/634573912.db2.gz TZKAQCNTQNIIBZ-NSHDSACASA-N 2 2 265.357 0.400 20 0 CCADLP NC(=O)COc1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000903471929 634574853 /nfs/dbraw/zinc/57/48/53/634574853.db2.gz WMZKVXDJFGLKIE-CQSZACIVSA-N 2 2 289.379 0.925 20 0 CCADLP C[C@@H]1CCN(C(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC000903564976 634608373 /nfs/dbraw/zinc/60/83/73/634608373.db2.gz AYHBUVBNJAIJAV-LLVKDONJSA-N 2 2 254.378 0.461 20 0 CCADLP C[C@H](CS(C)(=O)=O)[N@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903730295 634632841 /nfs/dbraw/zinc/63/28/41/634632841.db2.gz VGLUNACOFYOVJC-UPJWGTAASA-N 2 2 290.429 0.120 20 0 CCADLP C[C@H](CS(C)(=O)=O)[N@@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903730295 634632844 /nfs/dbraw/zinc/63/28/44/634632844.db2.gz VGLUNACOFYOVJC-UPJWGTAASA-N 2 2 290.429 0.120 20 0 CCADLP [NH3+]C[C@H]1CC[N@H+](CCS(=O)(=O)Nc2ccccc2)C1 ZINC000903716034 634633720 /nfs/dbraw/zinc/63/37/20/634633720.db2.gz GODOJNLPHYDBKD-GFCCVEGCSA-N 2 2 283.397 0.709 20 0 CCADLP [NH3+]C[C@H]1CC[N@@H+](CCS(=O)(=O)Nc2ccccc2)C1 ZINC000903716034 634633723 /nfs/dbraw/zinc/63/37/23/634633723.db2.gz GODOJNLPHYDBKD-GFCCVEGCSA-N 2 2 283.397 0.709 20 0 CCADLP O=S1(=O)CCCN1CC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000903752719 634637711 /nfs/dbraw/zinc/63/77/11/634637711.db2.gz UVQPMHXNNAYUDS-ZDUSSCGKSA-N 2 2 287.429 0.097 20 0 CCADLP O=S1(=O)CCCN1CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000903752719 634637713 /nfs/dbraw/zinc/63/77/13/634637713.db2.gz UVQPMHXNNAYUDS-ZDUSSCGKSA-N 2 2 287.429 0.097 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000903751249 634635896 /nfs/dbraw/zinc/63/58/96/634635896.db2.gz HHBFSTRSFMFBAK-OAGGEKHMSA-N 3 2 281.444 0.907 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000903751249 634635899 /nfs/dbraw/zinc/63/58/99/634635899.db2.gz HHBFSTRSFMFBAK-OAGGEKHMSA-N 3 2 281.444 0.907 20 0 CCADLP [NH3+]C[C@H]1CCCC[N@@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903779252 634649494 /nfs/dbraw/zinc/64/94/94/634649494.db2.gz XHLANWVGGAKXCS-RDBSUJKOSA-N 3 2 253.390 0.568 20 0 CCADLP [NH3+]C[C@H]1CCCC[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903779252 634649496 /nfs/dbraw/zinc/64/94/96/634649496.db2.gz XHLANWVGGAKXCS-RDBSUJKOSA-N 3 2 253.390 0.568 20 0 CCADLP OCC[NH2+]C1CC[NH+](CCOC2CCSCC2)CC1 ZINC000903779098 634649828 /nfs/dbraw/zinc/64/98/28/634649828.db2.gz UCWMDWXDSZRCHS-UHFFFAOYSA-N 2 2 288.457 0.945 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000903804710 634655985 /nfs/dbraw/zinc/65/59/85/634655985.db2.gz HTOIWTHIPGXWJY-GZBLMMOJSA-N 2 2 266.385 0.994 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000903804710 634655987 /nfs/dbraw/zinc/65/59/87/634655987.db2.gz HTOIWTHIPGXWJY-GZBLMMOJSA-N 2 2 266.385 0.994 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903805670 634657444 /nfs/dbraw/zinc/65/74/44/634657444.db2.gz RGTHRYVCRSGIAA-XUWVNRHRSA-N 3 2 279.428 0.958 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903805670 634657449 /nfs/dbraw/zinc/65/74/49/634657449.db2.gz RGTHRYVCRSGIAA-XUWVNRHRSA-N 3 2 279.428 0.958 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H](O)C[NH+]1CCCC1)C2 ZINC000903839479 634664294 /nfs/dbraw/zinc/66/42/94/634664294.db2.gz LVPVWYNNAKABAV-CRWXNKLISA-N 3 2 253.390 0.255 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C2 ZINC000903839479 634664297 /nfs/dbraw/zinc/66/42/97/634664297.db2.gz LVPVWYNNAKABAV-CRWXNKLISA-N 3 2 253.390 0.255 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cnn1C ZINC000903929260 634689418 /nfs/dbraw/zinc/68/94/18/634689418.db2.gz CUQHLQLUCUVBBZ-XPKDYRNWSA-N 3 2 293.459 0.763 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cnn1C ZINC000903929260 634689423 /nfs/dbraw/zinc/68/94/23/634689423.db2.gz CUQHLQLUCUVBBZ-XPKDYRNWSA-N 3 2 293.459 0.763 20 0 CCADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000903933336 634692131 /nfs/dbraw/zinc/69/21/31/634692131.db2.gz PARJAQDBUQIDDV-BBBLOLIVSA-N 2 2 261.316 0.569 20 0 CCADLP [NH3+][C@H](CC(F)F)C[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000903933336 634692135 /nfs/dbraw/zinc/69/21/35/634692135.db2.gz PARJAQDBUQIDDV-BBBLOLIVSA-N 2 2 261.316 0.569 20 0 CCADLP [NH3+][C@@H](CC(F)F)C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000903932915 634692323 /nfs/dbraw/zinc/69/23/23/634692323.db2.gz ICMJTBMGKCMGRI-UWVGGRQHSA-N 2 2 259.304 0.583 20 0 CCADLP [NH3+][C@@H](CC(F)F)C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000903932915 634692327 /nfs/dbraw/zinc/69/23/27/634692327.db2.gz ICMJTBMGKCMGRI-UWVGGRQHSA-N 2 2 259.304 0.583 20 0 CCADLP C[N@H+](CCF)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027702077 630860315 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O=C(Cn1cc[nH+]c1)N1CC2(C1)CCC[N@@H+](CCF)C2 ZINC000982171340 631383031 /nfs/dbraw/zinc/38/30/31/631383031.db2.gz FUMYJCILERBXSP-UHFFFAOYSA-N 2 2 280.347 0.777 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC2(C1)CCC[N@H+](CCF)C2 ZINC000982171340 631383036 /nfs/dbraw/zinc/38/30/36/631383036.db2.gz FUMYJCILERBXSP-UHFFFAOYSA-N 2 2 280.347 0.777 20 0 CCADLP Cn1nccc1[C@H](O)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925889895 631435948 /nfs/dbraw/zinc/43/59/48/631435948.db2.gz MNRYNVXQGDZNHY-OLZOCXBDSA-N 2 2 264.373 0.718 20 0 CCADLP Cc1nonc1[C@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000924992522 631701332 /nfs/dbraw/zinc/70/13/32/631701332.db2.gz LQLLHKUEBDWOEW-QWRGUYRKSA-N 2 2 267.377 0.665 20 0 CCADLP C[C@H]1CC[N@H+](CCCO)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000968703507 650026267 /nfs/dbraw/zinc/02/62/67/650026267.db2.gz WDQSXZDLYSNIKE-QWHCGFSZSA-N 2 2 280.372 0.092 20 0 CCADLP C[C@H]1CC[N@@H+](CCCO)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000968703507 650026269 /nfs/dbraw/zinc/02/62/69/650026269.db2.gz WDQSXZDLYSNIKE-QWHCGFSZSA-N 2 2 280.372 0.092 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@H]2CC[N@@H+](C)C2)c[nH+]1 ZINC000895819316 632161193 /nfs/dbraw/zinc/16/11/93/632161193.db2.gz WNOHVKAICSCHKO-GFCCVEGCSA-N 2 2 264.373 0.995 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@H]2CC[N@H+](C)C2)c[nH+]1 ZINC000895819316 632161198 /nfs/dbraw/zinc/16/11/98/632161198.db2.gz WNOHVKAICSCHKO-GFCCVEGCSA-N 2 2 264.373 0.995 20 0 CCADLP O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CC[NH+](C2CC2)CC1 ZINC000895940437 632180766 /nfs/dbraw/zinc/18/07/66/632180766.db2.gz OFPLGJAHAGFKCN-CQSZACIVSA-N 2 2 279.384 0.014 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH+](CCCF)C2)C1 ZINC001007000040 632328176 /nfs/dbraw/zinc/32/81/76/632328176.db2.gz IIVBMXKTXYZKFH-OLZOCXBDSA-N 2 2 287.379 0.257 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[N@H+](CCCF)C2)C1 ZINC001007000040 632328186 /nfs/dbraw/zinc/32/81/86/632328186.db2.gz IIVBMXKTXYZKFH-OLZOCXBDSA-N 2 2 287.379 0.257 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCCF)C2)C1 ZINC001007000040 632328191 /nfs/dbraw/zinc/32/81/91/632328191.db2.gz IIVBMXKTXYZKFH-OLZOCXBDSA-N 2 2 287.379 0.257 20 0 CCADLP Cc1[nH]c(CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)[nH+]c1C ZINC000896912977 632362346 /nfs/dbraw/zinc/36/23/46/632362346.db2.gz JMDWGMFSTOALTB-LBPRGKRZSA-N 2 2 277.372 0.033 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C)[C@@H]1C[NH+](C)CCO1 ZINC000897077265 632390120 /nfs/dbraw/zinc/39/01/20/632390120.db2.gz JIADLVGLBZSMRU-AVGNSLFASA-N 2 2 283.416 0.695 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CC[N@H+]1C(C)(C)C)[C@@H]1C[NH+](C)CCO1 ZINC000897077265 632390123 /nfs/dbraw/zinc/39/01/23/632390123.db2.gz JIADLVGLBZSMRU-AVGNSLFASA-N 2 2 283.416 0.695 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CC[NH+]1C(C)(C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000897077265 632390128 /nfs/dbraw/zinc/39/01/28/632390128.db2.gz JIADLVGLBZSMRU-AVGNSLFASA-N 2 2 283.416 0.695 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CC[NH+]1C(C)(C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000897077265 632390131 /nfs/dbraw/zinc/39/01/31/632390131.db2.gz JIADLVGLBZSMRU-AVGNSLFASA-N 2 2 283.416 0.695 20 0 CCADLP CN(C)c1nc(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)cc[nH+]1 ZINC000897220446 632423840 /nfs/dbraw/zinc/42/38/40/632423840.db2.gz BIIGOEXBUXRDPO-QWHCGFSZSA-N 2 2 291.399 0.578 20 0 CCADLP CN(C)c1nc(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cc[nH+]1 ZINC000897220446 632423842 /nfs/dbraw/zinc/42/38/42/632423842.db2.gz BIIGOEXBUXRDPO-QWHCGFSZSA-N 2 2 291.399 0.578 20 0 CCADLP O=C(N[C@@H]1CCC[N@@H+](CCF)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001007351988 650075062 /nfs/dbraw/zinc/07/50/62/650075062.db2.gz XPRXVAALGOWGIA-ZIAGYGMSSA-N 2 2 283.391 0.878 20 0 CCADLP O=C(N[C@@H]1CCC[N@H+](CCF)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001007351988 650075064 /nfs/dbraw/zinc/07/50/64/650075064.db2.gz XPRXVAALGOWGIA-ZIAGYGMSSA-N 2 2 283.391 0.878 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000985774674 632638704 /nfs/dbraw/zinc/63/87/04/632638704.db2.gz ULYWEGTUEKFXMR-LLVKDONJSA-N 2 2 294.399 0.564 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000985774674 632638708 /nfs/dbraw/zinc/63/87/08/632638708.db2.gz ULYWEGTUEKFXMR-LLVKDONJSA-N 2 2 294.399 0.564 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCF)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC000988933993 633128028 /nfs/dbraw/zinc/12/80/28/633128028.db2.gz PKELEKOIKRDSAG-JQWIXIFHSA-N 2 2 268.336 0.891 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCF)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC000988933993 633128035 /nfs/dbraw/zinc/12/80/35/633128035.db2.gz PKELEKOIKRDSAG-JQWIXIFHSA-N 2 2 268.336 0.891 20 0 CCADLP O=C(N[C@@H]1CCn2c[nH+]cc2C1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000898098450 633278353 /nfs/dbraw/zinc/27/83/53/633278353.db2.gz ZARHDGYPPAVQFZ-OLZOCXBDSA-N 2 2 290.367 0.035 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[N@H+](CC2CC2)CC1 ZINC000989483123 633317322 /nfs/dbraw/zinc/31/73/22/633317322.db2.gz MNDSCYZZGBNWTL-UHFFFAOYSA-N 2 2 276.384 0.907 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[N@@H+](CC2CC2)CC1 ZINC000989483123 633317327 /nfs/dbraw/zinc/31/73/27/633317327.db2.gz MNDSCYZZGBNWTL-UHFFFAOYSA-N 2 2 276.384 0.907 20 0 CCADLP 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CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000852006953 643912337 /nfs/dbraw/zinc/91/23/37/643912337.db2.gz HAYDNDOMVGQPFE-UPJWGTAASA-N 2 2 285.388 0.118 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000852006953 643912342 /nfs/dbraw/zinc/91/23/42/643912342.db2.gz HAYDNDOMVGQPFE-UPJWGTAASA-N 2 2 285.388 0.118 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000852006953 643912346 /nfs/dbraw/zinc/91/23/46/643912346.db2.gz HAYDNDOMVGQPFE-UPJWGTAASA-N 2 2 285.388 0.118 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)c2cccc(C[NH3+])c2)[C@@H](C)CO1 ZINC000852847007 644021252 /nfs/dbraw/zinc/02/12/52/644021252.db2.gz MSKXCSGPAJSXCX-STQMWFEESA-N 2 2 291.395 0.984 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)c2cccc(C[NH3+])c2)[C@@H](C)CO1 ZINC000852847007 644021256 /nfs/dbraw/zinc/02/12/56/644021256.db2.gz MSKXCSGPAJSXCX-STQMWFEESA-N 2 2 291.395 0.984 20 0 CCADLP O[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccn1 ZINC000853098911 644074104 /nfs/dbraw/zinc/07/41/04/644074104.db2.gz QBCINJSMOUJSSH-KCQAQPDRSA-N 2 2 277.368 0.568 20 0 CCADLP O[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccccn1 ZINC000853098911 644074107 /nfs/dbraw/zinc/07/41/07/644074107.db2.gz QBCINJSMOUJSSH-KCQAQPDRSA-N 2 2 277.368 0.568 20 0 CCADLP CCC[NH2+][C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001018784363 650906474 /nfs/dbraw/zinc/90/64/74/650906474.db2.gz HOQANZIYNCCPRQ-NSHDSACASA-N 2 2 250.346 0.943 20 0 CCADLP C[NH+](C)[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cnon2)C1)C1CC1 ZINC001018966105 650925514 /nfs/dbraw/zinc/92/55/14/650925514.db2.gz CDWDGWAROWFWGK-WCQYABFASA-N 2 2 293.371 0.100 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001019193258 650945835 /nfs/dbraw/zinc/94/58/35/650945835.db2.gz ZDNIATJLRCQPDC-GJZGRUSLSA-N 2 2 295.427 0.698 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001019193258 650945840 /nfs/dbraw/zinc/94/58/40/650945840.db2.gz ZDNIATJLRCQPDC-GJZGRUSLSA-N 2 2 295.427 0.698 20 0 CCADLP Cc1cc(NCCNC(=O)N[C@@H](C)C[NH3+])nc(C(C)C)[nH+]1 ZINC000861643122 644902811 /nfs/dbraw/zinc/90/28/11/644902811.db2.gz QMFRRTIZLCTGBM-NSHDSACASA-N 2 2 294.403 0.967 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([NH2+]CCn2cccn2)C1 ZINC001019437356 650973265 /nfs/dbraw/zinc/97/32/65/650973265.db2.gz KLPNBOROBFSVPB-LBPRGKRZSA-N 2 2 288.355 0.039 20 0 CCADLP [NH2+]=C(NCCC1CC1)NCC[NH+]1CCSCC1 ZINC000864458930 645229992 /nfs/dbraw/zinc/22/99/92/645229992.db2.gz WLRDZZXYDJCTMS-UHFFFAOYSA-N 2 2 256.419 0.949 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001019708532 651000263 /nfs/dbraw/zinc/00/02/63/651000263.db2.gz MFAAFTGZYOYHEK-OLZOCXBDSA-N 2 2 292.383 0.488 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]CCF)C1 ZINC001019707717 651000429 /nfs/dbraw/zinc/00/04/29/651000429.db2.gz RYUPZWAVCFDFHX-JTQLQIEISA-N 2 2 254.309 0.421 20 0 CCADLP C[NH+](C)[C@H](C(=O)N1CC[C@H]([NH2+]CCF)C1)c1cccnc1 ZINC001019834214 651009655 /nfs/dbraw/zinc/00/96/55/651009655.db2.gz ZFMLMXUQOIRJRL-KBPBESRZSA-N 2 2 294.374 0.844 20 0 CCADLP Cn1ccnc1C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001019868776 651012044 /nfs/dbraw/zinc/01/20/44/651012044.db2.gz LSDKTDDWAFTUPA-LBPRGKRZSA-N 2 2 288.355 0.007 20 0 CCADLP Cc1cncc(C[NH2+][C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)c1 ZINC001019868701 651012053 /nfs/dbraw/zinc/01/20/53/651012053.db2.gz JHMMCSGOMAMHEZ-HNNXBMFYSA-N 2 2 299.378 0.977 20 0 CCADLP O=C(N[C@H]1C[C@H]([NH2+]CCO)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001020296352 651057001 /nfs/dbraw/zinc/05/70/01/651057001.db2.gz NUTSBNVWBBZAHD-XYPYZODXSA-N 2 2 274.324 0.406 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001020314884 651058778 /nfs/dbraw/zinc/05/87/78/651058778.db2.gz XDJNDHQTSFQSBE-FDYHWXHSSA-N 2 2 292.383 0.063 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001020312857 651059118 /nfs/dbraw/zinc/05/91/18/651059118.db2.gz WEMRNZSDPHKCIV-FDYHWXHSSA-N 2 2 292.383 0.063 20 0 CCADLP [NH3+][C@H]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000870895786 646040399 /nfs/dbraw/zinc/04/03/99/646040399.db2.gz BYDFWXMSSYOIEN-QLFBSQMISA-N 2 2 295.427 0.827 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@@H](C)CO1 ZINC000870953281 646060378 /nfs/dbraw/zinc/06/03/78/646060378.db2.gz SAOMNWFEZRIPIB-XDQVBPFNSA-N 2 2 283.416 0.729 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@@H](C)CO1 ZINC000870953281 646060386 /nfs/dbraw/zinc/06/03/86/646060386.db2.gz SAOMNWFEZRIPIB-XDQVBPFNSA-N 2 2 283.416 0.729 20 0 CCADLP Cc1conc1C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000872145861 646211884 /nfs/dbraw/zinc/21/18/84/646211884.db2.gz XFYJNPYFQLWJNQ-LBPRGKRZSA-N 2 2 276.344 0.870 20 0 CCADLP Cc1conc1C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000872145861 646211889 /nfs/dbraw/zinc/21/18/89/646211889.db2.gz XFYJNPYFQLWJNQ-LBPRGKRZSA-N 2 2 276.344 0.870 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+](C)CN1CC2(COC2)CC1=O ZINC000872590658 646289963 /nfs/dbraw/zinc/28/99/63/646289963.db2.gz BVXDRCICQTYTFL-UHFFFAOYSA-N 2 2 292.383 0.720 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+](C)CN1CC2(COC2)CC1=O ZINC000872590658 646289972 /nfs/dbraw/zinc/28/99/72/646289972.db2.gz BVXDRCICQTYTFL-UHFFFAOYSA-N 2 2 292.383 0.720 20 0 CCADLP CC(C)(C)[NH2+]CC[NH+]1CCC2(CCNC2=O)CC1 ZINC000873225885 646361295 /nfs/dbraw/zinc/36/12/95/646361295.db2.gz FETMRYVVDWUYAT-UHFFFAOYSA-N 2 2 253.390 0.977 20 0 CCADLP NC(=O)COc1ccc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000873230752 646363366 /nfs/dbraw/zinc/36/33/66/646363366.db2.gz XQNXEOJJENHLPY-ZBFHGGJFSA-N 2 2 289.379 0.925 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873271420 646368485 /nfs/dbraw/zinc/36/84/85/646368485.db2.gz IBAAKTUQRSCRFQ-SGMGOOAPSA-N 3 2 255.406 0.731 20 0 CCADLP C[C@H]([NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)C1CC[NH2+]CC1 ZINC000873272273 646368589 /nfs/dbraw/zinc/36/85/89/646368589.db2.gz RJBJGWIPJAFRLS-GLQYFDAESA-N 3 2 267.417 0.731 20 0 CCADLP O=C1OCC[C@@H]1CCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000873282476 646369810 /nfs/dbraw/zinc/36/98/10/646369810.db2.gz ISFKQVUHCRULIW-IHRRRGAJSA-N 2 2 282.384 0.686 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)CCO1 ZINC000124556874 646384487 /nfs/dbraw/zinc/38/44/87/646384487.db2.gz TVUVFSYVVNBTFU-IJLUTSLNSA-N 2 2 255.362 0.045 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)CCO1 ZINC000124556874 646384491 /nfs/dbraw/zinc/38/44/91/646384491.db2.gz TVUVFSYVVNBTFU-IJLUTSLNSA-N 2 2 255.362 0.045 20 0 CCADLP COC(OC)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000874459975 646467305 /nfs/dbraw/zinc/46/73/05/646467305.db2.gz RGRHXPIYFMUYMT-ZDUSSCGKSA-N 2 2 299.415 0.232 20 0 CCADLP COC(OC)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000874459975 646467308 /nfs/dbraw/zinc/46/73/08/646467308.db2.gz RGRHXPIYFMUYMT-ZDUSSCGKSA-N 2 2 299.415 0.232 20 0 CCADLP C[C@H](CNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1)Cn1cc[nH+]c1 ZINC000876730598 646652324 /nfs/dbraw/zinc/65/23/24/646652324.db2.gz HRVZUBPUHLGUST-IJLUTSLNSA-N 2 2 268.336 0.583 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000876755697 646658660 /nfs/dbraw/zinc/65/86/60/646658660.db2.gz LXSOXPQYWPNUPL-UMSGYPCISA-N 2 2 287.379 0.159 20 0 CCADLP C[C@@H](C[NH3+])NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000876831397 646677222 /nfs/dbraw/zinc/67/72/22/646677222.db2.gz ZIJXBDGETSRGKO-JGVFFNPUSA-N 2 2 264.251 0.840 20 0 CCADLP C[C@H](CCCC[NH3+])NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876855657 646683182 /nfs/dbraw/zinc/68/31/82/646683182.db2.gz YNPASVNYOMYPOM-DIECRNLCSA-N 2 2 269.389 0.509 20 0 CCADLP O=C(N[C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1CCn2cc[nH+]c2C1 ZINC000877385833 646807482 /nfs/dbraw/zinc/80/74/82/646807482.db2.gz NFSLYQYMGVXOTB-JMSVASOKSA-N 2 2 274.368 0.846 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)NC2CC[NH+](C)CC2)C[C@H](C2CC2)O1 ZINC000878533993 646931181 /nfs/dbraw/zinc/93/11/81/646931181.db2.gz CPDJTDJJCPUOPV-SWLSCSKDSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C[C@H](C2CC2)O1 ZINC000878533993 646931185 /nfs/dbraw/zinc/93/11/85/646931185.db2.gz CPDJTDJJCPUOPV-SWLSCSKDSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)NC2CC[NH+](C)CC2)C2(CCC2)CO1 ZINC000878807656 646982873 /nfs/dbraw/zinc/98/28/73/646982873.db2.gz GJPHQIKMOXSWQY-ZDUSSCGKSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C2(CCC2)CO1 ZINC000878807656 646982877 /nfs/dbraw/zinc/98/28/77/646982877.db2.gz GJPHQIKMOXSWQY-ZDUSSCGKSA-N 2 2 295.427 0.840 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2nnnn2C)CC1 ZINC000879916099 647127006 /nfs/dbraw/zinc/12/70/06/647127006.db2.gz ICQOXXSKJLNAEU-CYBMUJFWSA-N 2 2 296.419 0.091 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2nnnn2C)CC1 ZINC000879916099 647127008 /nfs/dbraw/zinc/12/70/08/647127008.db2.gz ICQOXXSKJLNAEU-CYBMUJFWSA-N 2 2 296.419 0.091 20 0 CCADLP C[C@@H](CO)C[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880203232 647169167 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649061865 /nfs/dbraw/zinc/06/18/65/649061865.db2.gz WGMDKBDUKQBZQI-GFCCVEGCSA-N 2 2 253.390 0.929 20 0 CCADLP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000157264326 649300181 /nfs/dbraw/zinc/30/01/81/649300181.db2.gz KPDZTNWHMPLOHY-WDEREUQCSA-N 2 2 250.346 0.976 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCCO)[C@H](C)C1 ZINC000947979393 649358226 /nfs/dbraw/zinc/35/82/26/649358226.db2.gz GMYSLDSQQDFLPQ-YPMHNXCESA-N 2 2 294.399 0.612 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCCO)[C@H](C)C1 ZINC000947979393 649358231 /nfs/dbraw/zinc/35/82/31/649358231.db2.gz GMYSLDSQQDFLPQ-YPMHNXCESA-N 2 2 294.399 0.612 20 0 CCADLP CCc1cc(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)nc(C)[nH+]1 ZINC000302075836 719412005 /nfs/dbraw/zinc/41/20/05/719412005.db2.gz HAUYQKGZQHBRPJ-STQMWFEESA-N 2 2 262.357 0.867 20 0 CCADLP CCc1cc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)nc(C)[nH+]1 ZINC000302075836 719412011 /nfs/dbraw/zinc/41/20/11/719412011.db2.gz HAUYQKGZQHBRPJ-STQMWFEESA-N 2 2 262.357 0.867 20 0 CCADLP 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Cc1cnc(C[NH2+]CCCNC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC001167349851 790943741 /nfs/dbraw/zinc/94/37/41/790943741.db2.gz IQIORBWUNPSKIF-UHFFFAOYSA-N 2 2 288.355 0.347 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]C[C@@H]1C[C@@]12CCOC2 ZINC001167349777 790944821 /nfs/dbraw/zinc/94/48/21/790944821.db2.gz GHFUAVHAGFDMJP-SWLSCSKDSA-N 2 2 292.383 0.475 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]Cc1ccccn1 ZINC001167355657 790958252 /nfs/dbraw/zinc/95/82/52/790958252.db2.gz UTTDOEUBCQCRBK-UHFFFAOYSA-N 2 2 273.340 0.643 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]Cc1nccs1 ZINC001167355687 790958602 /nfs/dbraw/zinc/95/86/02/790958602.db2.gz VXBWXXSONZSCHQ-UHFFFAOYSA-N 2 2 279.369 0.705 20 0 CCADLP C[C@H](CC(=O)NCCC[NH2+]CCCO)n1cc[nH+]c1 ZINC001167429031 791063349 /nfs/dbraw/zinc/06/33/49/791063349.db2.gz PCTHLPXRBFMULU-GFCCVEGCSA-N 2 2 268.361 0.313 20 0 CCADLP COC[C@@H](C)[NH2+]CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001167429288 791066620 /nfs/dbraw/zinc/06/66/20/791066620.db2.gz QVGUTXFDONFMLR-CHWSQXEVSA-N 2 2 282.388 0.965 20 0 CCADLP c1cn2c([nH+]1)CC[C@H](Oc1[nH+][nH]cc3nncc1-3)C2 ZINC001230900199 805687337 /nfs/dbraw/zinc/68/73/37/805687337.db2.gz FURDQNIGIAZXGO-QMMMGPOBSA-N 2 2 256.269 0.943 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@H]1CCC[NH2+][C@H]1C ZINC001245982611 807104848 /nfs/dbraw/zinc/10/48/48/807104848.db2.gz LMKPDOGKVGUWTB-BFHYXJOUSA-N 3 2 257.422 0.667 20 0 CCADLP CN(CC[NH2+]Cc1csnn1)C(=O)C1CC[NH+](C)CC1 ZINC001266826979 791271305 /nfs/dbraw/zinc/27/13/05/791271305.db2.gz DFJLDQXHESYYKF-UHFFFAOYSA-N 2 2 297.428 0.428 20 0 CCADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724024627 791376102 /nfs/dbraw/zinc/37/61/02/791376102.db2.gz FFQRWHSSHSKJFO-YUMQZZPRSA-N 2 2 294.264 0.447 20 0 CCADLP Nc1cc(CNc2nccnc2N2CC[NH2+]CC2)cc[nH+]1 ZINC001167611887 791629621 /nfs/dbraw/zinc/62/96/21/791629621.db2.gz CTBLEACFKACIOZ-UHFFFAOYSA-N 2 2 285.355 0.476 20 0 CCADLP Nc1cc(CNc2nccc(C3C[NH2+]C3)n2)cc[nH+]1 ZINC001167617719 791634634 /nfs/dbraw/zinc/63/46/34/791634634.db2.gz XOZPXXRBFGBILU-UHFFFAOYSA-N 2 2 256.313 0.753 20 0 CCADLP CN(C[C@@H]1CC[N@@H+]1CCCO)C(=O)CCc1[nH]cc[nH+]1 ZINC001233976432 806160796 /nfs/dbraw/zinc/16/07/96/806160796.db2.gz FHMNSWOUERLQGS-LBPRGKRZSA-N 2 2 280.372 0.257 20 0 CCADLP CN(C[C@@H]1CC[N@H+]1CCCO)C(=O)CCc1[nH]cc[nH+]1 ZINC001233976432 806160803 /nfs/dbraw/zinc/16/08/03/806160803.db2.gz FHMNSWOUERLQGS-LBPRGKRZSA-N 2 2 280.372 0.257 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001233976949 806160858 /nfs/dbraw/zinc/16/08/58/806160858.db2.gz JNYLABRIEHRCSJ-OLZOCXBDSA-N 2 2 294.399 0.910 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001233976949 806160864 /nfs/dbraw/zinc/16/08/64/806160864.db2.gz JNYLABRIEHRCSJ-OLZOCXBDSA-N 2 2 294.399 0.910 20 0 CCADLP C[C@H](CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CCCO ZINC001277861046 806264268 /nfs/dbraw/zinc/26/42/68/806264268.db2.gz ALYNREJIZAZBNN-CHWSQXEVSA-N 2 2 294.399 0.264 20 0 CCADLP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001234971695 806321915 /nfs/dbraw/zinc/32/19/15/806321915.db2.gz RVORFBLEDBCPCW-UMSGYPCISA-N 3 2 289.370 0.397 20 0 CCADLP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001234971695 806321923 /nfs/dbraw/zinc/32/19/23/806321923.db2.gz RVORFBLEDBCPCW-UMSGYPCISA-N 3 2 289.370 0.397 20 0 CCADLP c1nc2ccc(CN3CC[NH2+]C[C@@]34CC[NH2+]C4)cc2[nH]1 ZINC001234982752 806325010 /nfs/dbraw/zinc/32/50/10/806325010.db2.gz PUAJIYGGNYCSAN-HNNXBMFYSA-N 2 2 271.368 0.700 20 0 CCADLP COc1ccc(CC[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235054713 806356790 /nfs/dbraw/zinc/35/67/90/806356790.db2.gz OKWRWOWITFDEMH-MRXNPFEDSA-N 2 2 275.396 0.875 20 0 CCADLP COc1ccc(CC[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235054713 806356797 /nfs/dbraw/zinc/35/67/97/806356797.db2.gz OKWRWOWITFDEMH-MRXNPFEDSA-N 2 2 275.396 0.875 20 0 CCADLP c1[nH]c2nccnc2c1C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235059628 806362719 /nfs/dbraw/zinc/36/27/19/806362719.db2.gz DTABWHFZAPYHHO-CQSZACIVSA-N 2 2 272.356 0.047 20 0 CCADLP c1[nH]c2nccnc2c1C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235059628 806362727 /nfs/dbraw/zinc/36/27/27/806362727.db2.gz DTABWHFZAPYHHO-CQSZACIVSA-N 2 2 272.356 0.047 20 0 CCADLP c1cc2c(cn1)cncc2C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235064352 806366563 /nfs/dbraw/zinc/36/65/63/806366563.db2.gz XEXJTGLJSJXSIZ-MRXNPFEDSA-N 2 2 283.379 0.767 20 0 CCADLP c1cc2c(cn1)cncc2C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235064352 806366573 /nfs/dbraw/zinc/36/65/73/806366573.db2.gz XEXJTGLJSJXSIZ-MRXNPFEDSA-N 2 2 283.379 0.767 20 0 CCADLP c1nc2cccc(C[N@@H+]3CCN[C@@]4(CC[NH2+]C4)C3)c2[nH]1 ZINC001235065928 806367249 /nfs/dbraw/zinc/36/72/49/806367249.db2.gz ZGJCWGNDAPBGSU-OAHLLOKOSA-N 2 2 271.368 0.700 20 0 CCADLP c1nc2cccc(C[N@H+]3CCN[C@@]4(CC[NH2+]C4)C3)c2[nH]1 ZINC001235065928 806367259 /nfs/dbraw/zinc/36/72/59/806367259.db2.gz ZGJCWGNDAPBGSU-OAHLLOKOSA-N 2 2 271.368 0.700 20 0 CCADLP OCC[NH+]1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC001235495671 806435537 /nfs/dbraw/zinc/43/55/37/806435537.db2.gz XOEMKCMZQZVAHL-UHFFFAOYSA-N 2 2 280.368 0.939 20 0 CCADLP OCC[NH+]1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC001235495671 806435540 /nfs/dbraw/zinc/43/55/40/806435540.db2.gz XOEMKCMZQZVAHL-UHFFFAOYSA-N 2 2 280.368 0.939 20 0 CCADLP [NH3+]CCCC[N@@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001235550752 806453549 /nfs/dbraw/zinc/45/35/49/806453549.db2.gz DNCMHRPZYBKJFQ-UHFFFAOYSA-N 3 2 289.387 0.468 20 0 CCADLP [NH3+]CCCC[N@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001235550752 806453553 /nfs/dbraw/zinc/45/35/53/806453553.db2.gz DNCMHRPZYBKJFQ-UHFFFAOYSA-N 3 2 289.387 0.468 20 0 CCADLP Cc1[nH+]cn(C)c1CN1CCOC[C@H]1C[NH+](C)C ZINC001235550813 806453564 /nfs/dbraw/zinc/45/35/64/806453564.db2.gz YTKHCRHWBMMSPY-GFCCVEGCSA-N 2 2 252.362 0.491 20 0 CCADLP CN(C)C(=O)N[C@H]1COCCC12CC[NH+](CC[NH3+])CC2 ZINC001235555426 806454626 /nfs/dbraw/zinc/45/46/26/806454626.db2.gz RFRLMZPJZZVROF-LBPRGKRZSA-N 2 2 284.404 0.087 20 0 CCADLP [NH3+]CC[NH+]1CCC2(CCN(C(=O)c3cnccn3)C2)CC1 ZINC001235558696 806454988 /nfs/dbraw/zinc/45/49/88/806454988.db2.gz LLFMEZQMAYEMSY-UHFFFAOYSA-N 2 2 289.383 0.363 20 0 CCADLP CC(C)NC(=O)C[C@@H]1COC[C@H]2C[N@H+](CC[NH3+])C[C@H]21 ZINC001235553069 806455152 /nfs/dbraw/zinc/45/51/52/806455152.db2.gz UAQNSBFHGVYGOO-UPJWGTAASA-N 2 2 269.389 0.054 20 0 CCADLP CC(C)NC(=O)C[C@@H]1COC[C@H]2C[N@@H+](CC[NH3+])C[C@H]21 ZINC001235553069 806455155 /nfs/dbraw/zinc/45/51/55/806455155.db2.gz UAQNSBFHGVYGOO-UPJWGTAASA-N 2 2 269.389 0.054 20 0 CCADLP C[C@H]([NH3+])CN1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001235552696 806455279 /nfs/dbraw/zinc/45/52/79/806455279.db2.gz PLGPOFLFJVICNZ-NSHDSACASA-N 2 2 275.360 0.076 20 0 CCADLP CC[C@H]1[N@H+](CC[NH3+])CCC[C@]12CCC(=O)N2CCOC ZINC001235573894 806458813 /nfs/dbraw/zinc/45/88/13/806458813.db2.gz VXIHZJZZVNNSPM-HIFRSBDPSA-N 2 2 283.416 0.827 20 0 CCADLP CC[C@H]1[N@@H+](CC[NH3+])CCC[C@]12CCC(=O)N2CCOC ZINC001235573894 806458817 /nfs/dbraw/zinc/45/88/17/806458817.db2.gz VXIHZJZZVNNSPM-HIFRSBDPSA-N 2 2 283.416 0.827 20 0 CCADLP CCN1CC2(CC[NH+](C[C@H](C)[NH3+])CC2)[C@@H](COC)C1=O ZINC001235585742 806464788 /nfs/dbraw/zinc/46/47/88/806464788.db2.gz XYQPFNNNWZVKII-STQMWFEESA-N 2 2 283.416 0.541 20 0 CCADLP COCCN1CCC2(CC[NH+](C[C@@H](C)[NH3+])CC2)C1=O ZINC001235595176 806467088 /nfs/dbraw/zinc/46/70/88/806467088.db2.gz AZWOFRBQRDXOHL-GFCCVEGCSA-N 2 2 269.389 0.295 20 0 CCADLP [NH3+]CC[NH+]1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1 ZINC001235590389 806467668 /nfs/dbraw/zinc/46/76/68/806467668.db2.gz UAZSHDUGNMSVLT-AWEZNQCLSA-N 2 2 273.380 0.941 20 0 CCADLP Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@H+]3C[C@@H](C)[NH3+])cs1 ZINC001235610615 806472658 /nfs/dbraw/zinc/47/26/58/806472658.db2.gz CQHLGOKWNWSGMG-JIMOISOXSA-N 2 2 294.424 0.974 20 0 CCADLP Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3C[C@@H](C)[NH3+])cs1 ZINC001235610615 806472659 /nfs/dbraw/zinc/47/26/59/806472659.db2.gz CQHLGOKWNWSGMG-JIMOISOXSA-N 2 2 294.424 0.974 20 0 CCADLP [NH3+]CC[NH+]1CCC2(CC1)Cc1ccccc1CNC2=O ZINC001235626573 806477349 /nfs/dbraw/zinc/47/73/49/806477349.db2.gz WNMNAEUTNQCZEF-UHFFFAOYSA-N 2 2 273.380 0.900 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+]1CC[C@]2(CC(=O)N(c3ccccn3)C2)C1 ZINC001235634729 806479051 /nfs/dbraw/zinc/47/90/51/806479051.db2.gz XGSSOCRPDOEDNW-DOMZBBRYSA-N 2 2 274.368 0.858 20 0 CCADLP C[C@@H]([NH3+])C[N@H+]1CC[C@]2(CC(=O)N(c3ccccn3)C2)C1 ZINC001235634729 806479055 /nfs/dbraw/zinc/47/90/55/806479055.db2.gz XGSSOCRPDOEDNW-DOMZBBRYSA-N 2 2 274.368 0.858 20 0 CCADLP [NH3+]CC[N@@H+]1CC[C@]2(CC(=O)N(c3ccccn3)C2)C1 ZINC001235635757 806479176 /nfs/dbraw/zinc/47/91/76/806479176.db2.gz ZAVILLOOKCBKJA-AWEZNQCLSA-N 2 2 260.341 0.469 20 0 CCADLP [NH3+]CC[N@H+]1CC[C@]2(CC(=O)N(c3ccccn3)C2)C1 ZINC001235635757 806479182 /nfs/dbraw/zinc/47/91/82/806479182.db2.gz ZAVILLOOKCBKJA-AWEZNQCLSA-N 2 2 260.341 0.469 20 0 CCADLP CC1(C)[NH2+][C@@H](CC[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)CO1 ZINC001235928566 806519128 /nfs/dbraw/zinc/51/91/28/806519128.db2.gz AMJDKDCMISKNKL-AVGNSLFASA-N 3 2 253.390 0.642 20 0 CCADLP CC1(C)[NH2+][C@@H](CC[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)CO1 ZINC001235928566 806519135 /nfs/dbraw/zinc/51/91/35/806519135.db2.gz AMJDKDCMISKNKL-AVGNSLFASA-N 3 2 253.390 0.642 20 0 CCADLP NC(=O)COc1ccc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235988645 806523266 /nfs/dbraw/zinc/52/32/66/806523266.db2.gz HVUKQJYNTWNCQY-DOMZBBRYSA-N 2 2 275.352 0.474 20 0 CCADLP NC(=O)COc1ccc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235988645 806523269 /nfs/dbraw/zinc/52/32/69/806523269.db2.gz HVUKQJYNTWNCQY-DOMZBBRYSA-N 2 2 275.352 0.474 20 0 CCADLP CCOC(=O)[C@]12CN(Cc3c[nH+]c(C)[nH]3)C[C@H]1C[NH2+]CC2 ZINC001236040231 806534351 /nfs/dbraw/zinc/53/43/51/806534351.db2.gz IBAMQLWNTHWXLE-IUODEOHRSA-N 2 2 292.383 0.693 20 0 CCADLP CCOC(=O)[C@]12CN(Cc3c[nH]c(C)[nH+]3)C[C@H]1C[NH2+]CC2 ZINC001236040231 806534354 /nfs/dbraw/zinc/53/43/54/806534354.db2.gz IBAMQLWNTHWXLE-IUODEOHRSA-N 2 2 292.383 0.693 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)CN1 ZINC001246097872 807152455 /nfs/dbraw/zinc/15/24/55/807152455.db2.gz OYZBYRBQJZXGDW-VOAKCMCISA-N 2 2 269.389 0.258 20 0 CCADLP CN1C(=O)CC[C@H]2C[N@@H+](C[C@@H]3C[NH2+]C(C)(C)O3)CC[C@H]21 ZINC001237065606 806636565 /nfs/dbraw/zinc/63/65/65/806636565.db2.gz WEDBFZLWSNQDPE-RWMBFGLXSA-N 2 2 281.400 0.654 20 0 CCADLP CN1C(=O)CC[C@H]2C[N@H+](C[C@@H]3C[NH2+]C(C)(C)O3)CC[C@H]21 ZINC001237065606 806636568 /nfs/dbraw/zinc/63/65/68/806636568.db2.gz WEDBFZLWSNQDPE-RWMBFGLXSA-N 2 2 281.400 0.654 20 0 CCADLP C[NH+](C)Cc1csc(CNC(=O)C(C)(C)[NH3+])n1 ZINC000722389150 806651014 /nfs/dbraw/zinc/65/10/14/806651014.db2.gz WRLQEAOQIJXHKQ-UHFFFAOYSA-N 2 2 256.375 0.558 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1Cc2c[nH+]cn2C1)C1(O)CCCC1 ZINC001120515953 798844049 /nfs/dbraw/zinc/84/40/49/798844049.db2.gz LVHQWKAWEYZKLU-PWSUYJOCSA-N 2 2 251.330 0.063 20 0 CCADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC001120563612 798867105 /nfs/dbraw/zinc/86/71/05/798867105.db2.gz ULOMSWLTVCSRPD-QWHCGFSZSA-N 2 2 256.390 0.726 20 0 CCADLP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC001120563612 798867108 /nfs/dbraw/zinc/86/71/08/798867108.db2.gz ULOMSWLTVCSRPD-QWHCGFSZSA-N 2 2 256.390 0.726 20 0 CCADLP [NH3+]CCNC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001120627070 798893503 /nfs/dbraw/zinc/89/35/03/798893503.db2.gz WJQLKMVKLWCPSN-UHFFFAOYSA-N 2 2 263.345 0.626 20 0 CCADLP CC[NH+](CC)CC(=O)NC[C@H](CO)Nc1cc[nH+]c(C)n1 ZINC001121657903 799064011 /nfs/dbraw/zinc/06/40/11/799064011.db2.gz FSXSLGPJYXHGDL-GFCCVEGCSA-N 2 2 295.387 0.016 20 0 CCADLP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCCCNc1cccc[nH+]1 ZINC001121991495 799115710 /nfs/dbraw/zinc/11/57/10/799115710.db2.gz SFXBNTCZDJORAI-NEPJUHHUSA-N 2 2 280.372 0.216 20 0 CCADLP [NH3+][C@@H](CC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)C(F)F ZINC001121998278 799118341 /nfs/dbraw/zinc/11/83/41/799118341.db2.gz VEGKXQUMXSYSBP-ZJUUUORDSA-N 2 2 261.316 0.569 20 0 CCADLP [NH3+][C@@H](CC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)C(F)F ZINC001121998278 799118344 /nfs/dbraw/zinc/11/83/44/799118344.db2.gz VEGKXQUMXSYSBP-ZJUUUORDSA-N 2 2 261.316 0.569 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C[C@@H]([NH3+])C(F)F ZINC001122005812 799120310 /nfs/dbraw/zinc/12/03/10/799120310.db2.gz VAOSBMLWXLPWFS-SZEHBUNVSA-N 2 2 261.316 0.568 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C[C@@H]([NH3+])C(F)F ZINC001122005812 799120313 /nfs/dbraw/zinc/12/03/13/799120313.db2.gz VAOSBMLWXLPWFS-SZEHBUNVSA-N 2 2 261.316 0.568 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCCc2[nH+]ccn2C)CC[N@@H+]1C ZINC001123925957 799506615 /nfs/dbraw/zinc/50/66/15/799506615.db2.gz QBCDDYGILLOWTI-GHMZBOCLSA-N 2 2 250.346 0.419 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCCc2[nH+]ccn2C)CC[N@H+]1C ZINC001123925957 799506618 /nfs/dbraw/zinc/50/66/18/799506618.db2.gz QBCDDYGILLOWTI-GHMZBOCLSA-N 2 2 250.346 0.419 20 0 CCADLP CCC[NH+]1C[C@@H]2CN(C(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)C[C@H]2C1 ZINC001161176917 799681659 /nfs/dbraw/zinc/68/16/59/799681659.db2.gz XMAWPIYJWXFTQC-PAURTPPISA-N 3 2 292.427 0.008 20 0 CCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001138469691 799734452 /nfs/dbraw/zinc/73/44/52/799734452.db2.gz KBSKBYXJLVJSJC-PWSUYJOCSA-N 2 2 278.356 0.722 20 0 CCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001138469691 799734460 /nfs/dbraw/zinc/73/44/60/799734460.db2.gz KBSKBYXJLVJSJC-PWSUYJOCSA-N 2 2 278.356 0.722 20 0 CCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001138469691 799734465 /nfs/dbraw/zinc/73/44/65/799734465.db2.gz KBSKBYXJLVJSJC-PWSUYJOCSA-N 2 2 278.356 0.722 20 0 CCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001138469691 799734472 /nfs/dbraw/zinc/73/44/72/799734472.db2.gz KBSKBYXJLVJSJC-PWSUYJOCSA-N 2 2 278.356 0.722 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC001139854904 799850211 /nfs/dbraw/zinc/85/02/11/799850211.db2.gz CHFMQVYYJXAZSR-FRRDWIJNSA-N 2 2 269.364 0.725 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC001139854904 799850218 /nfs/dbraw/zinc/85/02/18/799850218.db2.gz CHFMQVYYJXAZSR-FRRDWIJNSA-N 2 2 269.364 0.725 20 0 CCADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1C[C@H](CO)[C@H](O)C1 ZINC001140021709 799871190 /nfs/dbraw/zinc/87/11/90/799871190.db2.gz PFASVJOUHFIWAU-GDBMZVCRSA-N 2 2 287.363 0.966 20 0 CCADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1C[C@H](CO)[C@H](O)C1 ZINC001140021709 799871192 /nfs/dbraw/zinc/87/11/92/799871192.db2.gz PFASVJOUHFIWAU-GDBMZVCRSA-N 2 2 287.363 0.966 20 0 CCADLP O=C1N=CNC(=O)C1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001140468707 799911849 /nfs/dbraw/zinc/91/18/49/799911849.db2.gz UZZPTZOZXDPLKA-UHFFFAOYSA-N 2 2 287.323 0.605 20 0 CCADLP Cc1ncoc1C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001141055149 799976541 /nfs/dbraw/zinc/97/65/41/799976541.db2.gz QGLARYPMBZUSCR-GFCCVEGCSA-N 2 2 280.372 0.625 20 0 CCADLP Cc1ncoc1C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001141055149 799976543 /nfs/dbraw/zinc/97/65/43/799976543.db2.gz QGLARYPMBZUSCR-GFCCVEGCSA-N 2 2 280.372 0.625 20 0 CCADLP CCOCC[NH2+]CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001161215245 800028734 /nfs/dbraw/zinc/02/87/34/800028734.db2.gz OHHGLOUASJVJRJ-CYBMUJFWSA-N 2 2 294.399 0.578 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001142919818 800174456 /nfs/dbraw/zinc/17/44/56/800174456.db2.gz XONZGJIOXUHAAK-ZDUSSCGKSA-N 2 2 269.389 0.309 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001142919818 800174460 /nfs/dbraw/zinc/17/44/60/800174460.db2.gz XONZGJIOXUHAAK-ZDUSSCGKSA-N 2 2 269.389 0.309 20 0 CCADLP CCC[N@@H+]1CCCO[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001150054255 800314615 /nfs/dbraw/zinc/31/46/15/800314615.db2.gz QZZYSUZSFYYUHI-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP CCC[N@H+]1CCCO[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001150054255 800314619 /nfs/dbraw/zinc/31/46/19/800314619.db2.gz QZZYSUZSFYYUHI-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP CC[N@@H+]1CCCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150379427 800334790 /nfs/dbraw/zinc/33/47/90/800334790.db2.gz FKFLRADEFUKXLP-GFCCVEGCSA-N 2 2 266.345 0.179 20 0 CCADLP CC[N@H+]1CCCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150379427 800334795 /nfs/dbraw/zinc/33/47/95/800334795.db2.gz FKFLRADEFUKXLP-GFCCVEGCSA-N 2 2 266.345 0.179 20 0 CCADLP CC[N@@H+]1CCCO[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001150662722 800357136 /nfs/dbraw/zinc/35/71/36/800357136.db2.gz CUFYSQQTAAXTRB-CQSZACIVSA-N 2 2 294.399 0.580 20 0 CCADLP CC[N@H+]1CCCO[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001150662722 800357142 /nfs/dbraw/zinc/35/71/42/800357142.db2.gz CUFYSQQTAAXTRB-CQSZACIVSA-N 2 2 294.399 0.580 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[N@H+](C(C)C)CCCO1 ZINC001150664052 800357544 /nfs/dbraw/zinc/35/75/44/800357544.db2.gz QIDPNZSPAPGTRU-ZDUSSCGKSA-N 2 2 294.399 0.876 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[N@@H+](C(C)C)CCCO1 ZINC001150664052 800357547 /nfs/dbraw/zinc/35/75/47/800357547.db2.gz QIDPNZSPAPGTRU-ZDUSSCGKSA-N 2 2 294.399 0.876 20 0 CCADLP Cc1noc([C@H](C)[NH2+]CCNC(=O)C[NH+]2CCCC2)n1 ZINC001151106854 800399412 /nfs/dbraw/zinc/39/94/12/800399412.db2.gz KBDAPDHJSIDHRD-JTQLQIEISA-N 2 2 281.360 0.241 20 0 CCADLP CC[NH+]1CCC(CCOC)(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001151339621 800417807 /nfs/dbraw/zinc/41/78/07/800417807.db2.gz IUNIFSLMLFBFIJ-UHFFFAOYSA-N 2 2 294.399 0.959 20 0 CCADLP CC(C)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001151815665 800462795 /nfs/dbraw/zinc/46/27/95/800462795.db2.gz YFOBUKDVBGENAA-CQSZACIVSA-N 2 2 283.416 0.459 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NCC[NH2+]C[C@@H]1CCCOC1 ZINC001153345495 800624534 /nfs/dbraw/zinc/62/45/34/800624534.db2.gz XIVUEFNJQJAWHE-AWEZNQCLSA-N 2 2 294.399 0.796 20 0 CCADLP Cc1oncc1C[NH2+]CCNC(=O)CCCn1cc[nH+]c1 ZINC001153344941 800624979 /nfs/dbraw/zinc/62/49/79/800624979.db2.gz MJMGHUGQCCATTO-UHFFFAOYSA-N 2 2 291.355 0.866 20 0 CCADLP CCc1nocc1C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153487721 800633876 /nfs/dbraw/zinc/63/38/76/800633876.db2.gz JCMQFXIWMCQJNA-UHFFFAOYSA-N 2 2 277.328 0.340 20 0 CCADLP COc1cc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2)ccn1 ZINC001153487426 800634187 /nfs/dbraw/zinc/63/41/87/800634187.db2.gz AKKPVOQVOSRJDM-UHFFFAOYSA-N 2 2 289.339 0.193 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CC[C@H]1CCCO1 ZINC001153496249 800634952 /nfs/dbraw/zinc/63/49/52/800634952.db2.gz XIJLQUCGRQWHKD-GFCCVEGCSA-N 2 2 266.345 0.158 20 0 CCADLP C[N@@H+]1CC[C@@H](CNC(=O)c2nc3c(s2)C[NH+](C)CC3)C1 ZINC001154224621 800743138 /nfs/dbraw/zinc/74/31/38/800743138.db2.gz XJNWKTMFJFJISE-JTQLQIEISA-N 2 2 294.424 0.813 20 0 CCADLP C[N@H+]1CC[C@@H](CNC(=O)c2nc3c(s2)C[NH+](C)CC3)C1 ZINC001154224621 800743145 /nfs/dbraw/zinc/74/31/45/800743145.db2.gz XJNWKTMFJFJISE-JTQLQIEISA-N 2 2 294.424 0.813 20 0 CCADLP C[NH+]1CC[C@@H](CNC(=O)c2nc3c(s2)C[N@H+](C)CC3)C1 ZINC001154224621 800743151 /nfs/dbraw/zinc/74/31/51/800743151.db2.gz XJNWKTMFJFJISE-JTQLQIEISA-N 2 2 294.424 0.813 20 0 CCADLP C[NH+]1CC[C@@H](CNC(=O)c2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC001154224621 800743158 /nfs/dbraw/zinc/74/31/58/800743158.db2.gz XJNWKTMFJFJISE-JTQLQIEISA-N 2 2 294.424 0.813 20 0 CCADLP Nc1ccc[nH+]c1N1CCN(c2ncnc3c2C[NH2+]C3)CC1 ZINC001154782553 800845402 /nfs/dbraw/zinc/84/54/02/800845402.db2.gz REZOJBROFWICNY-UHFFFAOYSA-N 2 2 297.366 0.384 20 0 CCADLP c1[nH+]cn(-c2ncc3c(n2)CC[NH2+]C3)c1C1CC[NH2+]CC1 ZINC001155052815 800899471 /nfs/dbraw/zinc/89/94/71/800899471.db2.gz GSNOGOZAJUGBQR-UHFFFAOYSA-N 3 2 284.367 0.775 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNc2nc(Cl)nc3c2CC[NH2+]C3)C1 ZINC001155193718 800926844 /nfs/dbraw/zinc/92/68/44/800926844.db2.gz KQHSWLHVUBCAPG-VIFPVBQESA-N 2 2 297.790 0.518 20 0 CCADLP C[N@H+]1CCO[C@@H](CNc2nc(Cl)nc3c2CC[NH2+]C3)C1 ZINC001155193718 800926849 /nfs/dbraw/zinc/92/68/49/800926849.db2.gz KQHSWLHVUBCAPG-VIFPVBQESA-N 2 2 297.790 0.518 20 0 CCADLP COc1ccc(NCC2([NH+](C)C)CC[NH+](C)CC2)nn1 ZINC001156175778 801121961 /nfs/dbraw/zinc/12/19/61/801121961.db2.gz FEQADASJHIZGHP-UHFFFAOYSA-N 2 2 279.388 0.923 20 0 CCADLP Cn1cc[nH+]c1CCNC(=O)[C@@H]1CC[NH2+]C[C@H]1F ZINC001157421255 801377147 /nfs/dbraw/zinc/37/71/47/801377147.db2.gz FSSXZLMFHBJGDJ-NXEZZACHSA-N 2 2 254.309 0.026 20 0 CCADLP C[C@@H]1CCC[C@H](C)N1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001157451075 801388119 /nfs/dbraw/zinc/38/81/19/801388119.db2.gz KJRNWHWXKBAAFU-FPYNETTCSA-N 2 2 251.374 0.726 20 0 CCADLP [NH3+]C[C@@]1(F)CCN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC001157817375 801494465 /nfs/dbraw/zinc/49/44/65/801494465.db2.gz MGEDHOGTFVRYDP-AWEZNQCLSA-N 3 2 279.363 0.368 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cncnc2Cl)CC1 ZINC001157914845 801518252 /nfs/dbraw/zinc/51/82/52/801518252.db2.gz MWOTXZJRVYLIFC-UHFFFAOYSA-N 2 2 254.725 0.724 20 0 CCADLP Cc1cnc(NC(=[NH2+])N2CC[NH+](C)CC2)c(C[NH3+])c1 ZINC001157915854 801521075 /nfs/dbraw/zinc/52/10/75/801521075.db2.gz XSJQUJCHOSVFNU-UHFFFAOYSA-N 3 2 262.361 0.443 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2nccc3c2NC(=O)CO3)CC1 ZINC001157915502 801521515 /nfs/dbraw/zinc/52/15/15/801521515.db2.gz QGZBECZZRAYOLD-UHFFFAOYSA-N 2 2 290.327 0.007 20 0 CCADLP C[C@]1(CF)CC(F)(F)CN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001157952653 801538712 /nfs/dbraw/zinc/53/87/12/801538712.db2.gz XADZZLUGMIOASD-IQIPOGNMSA-N 2 2 291.317 0.804 20 0 CCADLP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157960882 801540560 /nfs/dbraw/zinc/54/05/60/801540560.db2.gz RUHDLEJQAGHGHT-CABCVRRESA-N 2 2 299.378 0.453 20 0 CCADLP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157960882 801540565 /nfs/dbraw/zinc/54/05/65/801540565.db2.gz RUHDLEJQAGHGHT-CABCVRRESA-N 2 2 299.378 0.453 20 0 CCADLP Cn1cc[nH+]c1CCNC(=O)C[C@@H]([NH3+])C(C)(C)C ZINC000136912767 801561605 /nfs/dbraw/zinc/56/16/05/801561605.db2.gz QRFJOGXILCAKDU-SNVBAGLBSA-N 2 2 252.362 0.842 20 0 CCADLP Cc1nc2ccoc2c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158204325 801592294 /nfs/dbraw/zinc/59/22/94/801592294.db2.gz WNFHOPUAVZMQLM-SECBINFHSA-N 2 2 273.296 0.579 20 0 CCADLP C[C@@H]1CCc2nnc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)cc2C1 ZINC001158209552 801597385 /nfs/dbraw/zinc/59/73/85/801597385.db2.gz XWTURSLYVCJWJA-ZYHUDNBSSA-N 2 2 287.367 0.649 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3ccc(Cl)c[n+]3[O-])CC2)C1 ZINC001158270527 801610077 /nfs/dbraw/zinc/61/00/77/801610077.db2.gz UOJFULDZKVFQSU-GFCCVEGCSA-N 2 2 296.802 0.975 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](C2CCN(c3ccc(Cl)c[n+]3[O-])CC2)C1 ZINC001158270527 801610082 /nfs/dbraw/zinc/61/00/82/801610082.db2.gz UOJFULDZKVFQSU-GFCCVEGCSA-N 2 2 296.802 0.975 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2C[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC001158313211 801619895 /nfs/dbraw/zinc/61/98/95/801619895.db2.gz HXBZCDGWPJZPKP-MELADBBJSA-N 3 2 274.368 0.079 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@@H]3[NH2+]C[C@@H]32)cc1 ZINC001158429697 801647330 /nfs/dbraw/zinc/64/73/30/801647330.db2.gz AEJPJZOFBPNGIX-IHRRRGAJSA-N 3 2 274.368 0.222 20 0 CCADLP C[C@@H](O)C[NH2+]CCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001158487372 801658872 /nfs/dbraw/zinc/65/88/72/801658872.db2.gz YVAXVIIWGATGTH-GFCCVEGCSA-N 2 2 294.399 0.239 20 0 CCADLP c1ncn(Cc2ccc(N3CC4(C3)CCC[NH2+]C4)[nH+]c2)n1 ZINC001159025229 801742952 /nfs/dbraw/zinc/74/29/52/801742952.db2.gz OJVRNDWNAHNUNG-UHFFFAOYSA-N 2 2 284.367 0.911 20 0 CCADLP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2cc(N(C)C)nc[nH+]2)O1 ZINC001159239422 801778757 /nfs/dbraw/zinc/77/87/57/801778757.db2.gz YYGLZUYMCFNCMX-JTNHKYCSSA-N 2 2 295.387 0.679 20 0 CCADLP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2cc(N(C)C)[nH+]cn2)O1 ZINC001159239422 801778758 /nfs/dbraw/zinc/77/87/58/801778758.db2.gz YYGLZUYMCFNCMX-JTNHKYCSSA-N 2 2 295.387 0.679 20 0 CCADLP CN(CC[NH3+])CCNc1cc(N2CCSCC2)[nH+]cn1 ZINC001159442936 801806962 /nfs/dbraw/zinc/80/69/62/801806962.db2.gz GGLDFFJULGCKNS-UHFFFAOYSA-N 2 2 296.444 0.332 20 0 CCADLP C[C@H](Nc1cc(N2CCOCC2)nc[nH+]1)[C@@H]1C[NH2+]CCO1 ZINC001159488999 801817373 /nfs/dbraw/zinc/81/73/73/801817373.db2.gz JACRMMOLWSLNJO-RYUDHWBXSA-N 2 2 293.371 0.102 20 0 CCADLP C[C@H](Nc1cc(N2CCOCC2)[nH+]cn1)[C@@H]1C[NH2+]CCO1 ZINC001159488999 801817379 /nfs/dbraw/zinc/81/73/79/801817379.db2.gz JACRMMOLWSLNJO-RYUDHWBXSA-N 2 2 293.371 0.102 20 0 CCADLP C[C@H](Nc1cc(N2CCOCC2)nc[nH+]1)[C@H]1C[NH2+]CCO1 ZINC001159488998 801817548 /nfs/dbraw/zinc/81/75/48/801817548.db2.gz JACRMMOLWSLNJO-NWDGAFQWSA-N 2 2 293.371 0.102 20 0 CCADLP C[C@H](Nc1cc(N2CCOCC2)[nH+]cn1)[C@H]1C[NH2+]CCO1 ZINC001159488998 801817549 /nfs/dbraw/zinc/81/75/49/801817549.db2.gz JACRMMOLWSLNJO-NWDGAFQWSA-N 2 2 293.371 0.102 20 0 CCADLP C[C@@H]1CCCN(c2cc(N[C@@H]3C[NH2+]C[C@@H]3CO)nc[nH+]2)C1 ZINC001159680321 801849494 /nfs/dbraw/zinc/84/94/94/801849494.db2.gz HJPNPBQQZYSGFT-JHJVBQTASA-N 2 2 291.399 0.705 20 0 CCADLP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001160454204 801942730 /nfs/dbraw/zinc/94/27/30/801942730.db2.gz JYEFVINTRITIDF-CYBMUJFWSA-N 3 2 279.388 0.080 20 0 CCADLP COCCN(C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)C(C)C ZINC001160463519 801944711 /nfs/dbraw/zinc/94/47/11/801944711.db2.gz KQDWQZKEABUAPT-LLVKDONJSA-N 2 2 254.334 0.163 20 0 CCADLP COCCN(C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)C(C)C ZINC001160463147 801945321 /nfs/dbraw/zinc/94/53/21/801945321.db2.gz FCXBAVCHRPRMTN-WZRBSPASSA-N 2 2 255.362 0.092 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(Oc2ccccc2)C1 ZINC001160500877 801952670 /nfs/dbraw/zinc/95/26/70/801952670.db2.gz WQRXBZSVBFKZHD-CQSZACIVSA-N 2 2 286.335 0.569 20 0 CCADLP COc1cncnc1N[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160512153 801956394 /nfs/dbraw/zinc/95/63/94/801956394.db2.gz SKVLIYDKULHVPW-CYBMUJFWSA-N 2 2 263.345 0.320 20 0 CCADLP [NH3+]C1(C(=O)N2CCC(c3ccccn3)CC2)CC[NH2+]CC1 ZINC001160530770 801963457 /nfs/dbraw/zinc/96/34/57/801963457.db2.gz OTEIDRSJMLREQN-UHFFFAOYSA-N 2 2 288.395 0.869 20 0 CCADLP COC(C)(C)[C@@H]1CCCN1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001160582281 801975408 /nfs/dbraw/zinc/97/54/08/801975408.db2.gz LSGDQXVUTBNAAI-NSHDSACASA-N 2 2 269.389 0.483 20 0 CCADLP N[C@]1(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CCC[NH2+]C1 ZINC001160693382 802003248 /nfs/dbraw/zinc/00/32/48/802003248.db2.gz LXHODKTXUATVFM-SMDDNHRTSA-N 2 2 277.372 0.197 20 0 CCADLP CN(CC1CCCCC1)C(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001160716499 802009111 /nfs/dbraw/zinc/00/91/11/802009111.db2.gz QEKQTPDISSJIGC-HNNXBMFYSA-N 2 2 296.459 0.776 20 0 CCADLP CN(CC1CCCCC1)C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160714266 802009514 /nfs/dbraw/zinc/00/95/14/802009514.db2.gz PDBYXCMTQJLHHP-UKRRQHHQSA-N 2 2 265.401 0.977 20 0 CCADLP C[C@H]1CC[NH2+][C@H](C(=O)N2CCc3[nH+]ccn3CC2)C1 ZINC001160759834 802016405 /nfs/dbraw/zinc/01/64/05/802016405.db2.gz APNNYHUBVACPRB-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP COCCC[NH2+]CCCNC(=O)Cc1c[nH+]ccc1OC ZINC001160840323 802027236 /nfs/dbraw/zinc/02/72/36/802027236.db2.gz YQYMSVAMKRWRCU-UHFFFAOYSA-N 2 2 295.383 0.765 20 0 CCADLP COC[C@@H](C)[NH2+]CCCNC(=O)Cc1c[nH+]ccc1OC ZINC001160844375 802028202 /nfs/dbraw/zinc/02/82/02/802028202.db2.gz AMDBHBQHMMNNEP-GFCCVEGCSA-N 2 2 295.383 0.764 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2C[C@H]([NH3+])CC(F)(F)C2)cc1 ZINC001160973054 802055782 /nfs/dbraw/zinc/05/57/82/802055782.db2.gz PUFCQCFMYGZMLN-VXGBXAGGSA-N 3 2 298.337 0.454 20 0 CCADLP COCC[NH2+]CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001160992080 802057837 /nfs/dbraw/zinc/05/78/37/802057837.db2.gz QAJSUEAYBZVKDG-UHFFFAOYSA-N 2 2 276.340 0.919 20 0 CCADLP Cc1cc[nH+]c(NCCN(CC[NH3+])N(O)N=O)c1 ZINC001161087666 802086171 /nfs/dbraw/zinc/08/61/71/802086171.db2.gz OZSOKRWZVRQQSU-UHFFFAOYSA-N 2 2 254.294 0.350 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N(C1CCC1)C1CCOCC1 ZINC001161462523 802158367 /nfs/dbraw/zinc/15/83/67/802158367.db2.gz ZRZDMZFHRRJTDE-STQMWFEESA-N 2 2 267.373 0.093 20 0 CCADLP CCCCOC(=O)[C@@H]1CCN(C(=O)C2([NH3+])CC[NH2+]CC2)C1 ZINC001161460691 802158503 /nfs/dbraw/zinc/15/85/03/802158503.db2.gz NGHLABVZXANLBC-GFCCVEGCSA-N 2 2 297.399 0.259 20 0 CCADLP Cc1nc2c(o1)CCN(C(=O)[C@@]13CC[C@@H]([NH2+]1)[C@H]([NH3+])C3)C2 ZINC001161522724 802169808 /nfs/dbraw/zinc/16/98/08/802169808.db2.gz FYHWVJUCLKUVGZ-RULNRJAQSA-N 2 2 276.340 0.090 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCC1=CC[N@H+](CCO)CC1 ZINC001161704669 802203125 /nfs/dbraw/zinc/20/31/25/802203125.db2.gz FAKMSNRHLHQYHH-UHFFFAOYSA-N 2 2 292.383 0.093 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCC1=CC[N@@H+](CCO)CC1 ZINC001161704669 802203127 /nfs/dbraw/zinc/20/31/27/802203127.db2.gz FAKMSNRHLHQYHH-UHFFFAOYSA-N 2 2 292.383 0.093 20 0 CCADLP Cc1nc(NCC[NH+]2CCC([NH3+])CC2)nc(N(C)C)n1 ZINC001161867729 802234667 /nfs/dbraw/zinc/23/46/67/802234667.db2.gz LBOSDDZCMSGICH-UHFFFAOYSA-N 2 2 279.392 0.081 20 0 CCADLP C[C@@H](CN1CC[NH2+]CC1)Nc1nc2c(ccn2C)c[nH+]1 ZINC001162090251 802273281 /nfs/dbraw/zinc/27/32/81/802273281.db2.gz KCLWWDLUKVGZJC-NSHDSACASA-N 2 2 274.372 0.674 20 0 CCADLP O=C(NCCC[NH2+]CCO)c1cccc2[nH+]ccn21 ZINC001162433101 802339316 /nfs/dbraw/zinc/33/93/16/802339316.db2.gz RGZKTSWOOMYTSL-UHFFFAOYSA-N 2 2 262.313 0.036 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+]([C@@H]2CCC[NH+](C)CC2)CCC1=O ZINC001254524393 808254415 /nfs/dbraw/zinc/25/44/15/808254415.db2.gz BNQFTPVGFOXHHB-OAHLLOKOSA-N 3 2 296.459 0.567 20 0 CCADLP C[NH+](C)CCN1CC[N@H+]([C@@H]2CCC[NH+](C)CC2)CCC1=O ZINC001254524393 808254419 /nfs/dbraw/zinc/25/44/19/808254419.db2.gz BNQFTPVGFOXHHB-OAHLLOKOSA-N 3 2 296.459 0.567 20 0 CCADLP C[NH+](C)CCN1CC[NH+]([C@@H]2CCC[N@H+](C)CC2)CCC1=O ZINC001254524393 808254423 /nfs/dbraw/zinc/25/44/23/808254423.db2.gz BNQFTPVGFOXHHB-OAHLLOKOSA-N 3 2 296.459 0.567 20 0 CCADLP C[NH+](C)CCN1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)CCC1=O ZINC001254524393 808254428 /nfs/dbraw/zinc/25/44/28/808254428.db2.gz BNQFTPVGFOXHHB-OAHLLOKOSA-N 3 2 296.459 0.567 20 0 CCADLP Cc1cc2c[nH+]c(NC[C@H]3C[N@H+](C)CCO3)nc2[nH]1 ZINC001162680673 802390048 /nfs/dbraw/zinc/39/00/48/802390048.db2.gz PJSXPVZONGWVAT-NSHDSACASA-N 2 2 261.329 0.960 20 0 CCADLP Cc1cc2c[nH+]c(NC[C@H]3C[N@@H+](C)CCO3)nc2[nH]1 ZINC001162680673 802390057 /nfs/dbraw/zinc/39/00/57/802390057.db2.gz PJSXPVZONGWVAT-NSHDSACASA-N 2 2 261.329 0.960 20 0 CCADLP C[N@H+](CCO)CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255676972 808421641 /nfs/dbraw/zinc/42/16/41/808421641.db2.gz QHABXAJHJSKDGB-GOOCMWNKSA-N 3 2 269.433 0.906 20 0 CCADLP C[N@@H+](CCO)CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001255676972 808421648 /nfs/dbraw/zinc/42/16/48/808421648.db2.gz QHABXAJHJSKDGB-GOOCMWNKSA-N 3 2 269.433 0.906 20 0 CCADLP C[NH+](CCO)CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255676972 808421653 /nfs/dbraw/zinc/42/16/53/808421653.db2.gz QHABXAJHJSKDGB-GOOCMWNKSA-N 3 2 269.433 0.906 20 0 CCADLP C[NH+](CCO)CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255676972 808421658 /nfs/dbraw/zinc/42/16/58/808421658.db2.gz QHABXAJHJSKDGB-GOOCMWNKSA-N 3 2 269.433 0.906 20 0 CCADLP c1cn2ccc(NC[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)cc2[nH+]1 ZINC001163101845 802482626 /nfs/dbraw/zinc/48/26/26/802482626.db2.gz YPSMWTKIXJKIGQ-RAIGVLPGSA-N 2 2 258.325 0.981 20 0 CCADLP CCN(C)c1cc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)nc[nH+]1 ZINC001163140916 802492155 /nfs/dbraw/zinc/49/21/55/802492155.db2.gz QJNSUURPIDPBJR-GMTAPVOTSA-N 2 2 263.345 0.331 20 0 CCADLP Cc1cc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)cc(OC(F)F)[nH+]1 ZINC001163254639 802521893 /nfs/dbraw/zinc/52/18/93/802521893.db2.gz OUYZPRDWJYJFRW-ZANVPECISA-N 2 2 298.293 0.981 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(NC[C@@H]3CCC(=O)N3)c2)C1 ZINC001164171694 802681475 /nfs/dbraw/zinc/68/14/75/802681475.db2.gz RNRSLWOEGGKMNB-HIFRSBDPSA-N 2 2 288.395 0.910 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(NC[C@@H]3CCC(=O)N3)c2)C1 ZINC001164171694 802681482 /nfs/dbraw/zinc/68/14/82/802681482.db2.gz RNRSLWOEGGKMNB-HIFRSBDPSA-N 2 2 288.395 0.910 20 0 CCADLP C[NH+](C)C1(CNc2nnc(Cl)nn2)CC[NH+](C)CC1 ZINC001164206729 802687526 /nfs/dbraw/zinc/68/75/26/802687526.db2.gz AGWVWDCSSBBOLF-UHFFFAOYSA-N 2 2 285.783 0.358 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Nc2[nH+]ccc(N)c2C)C[NH2+]1 ZINC001164302158 802714267 /nfs/dbraw/zinc/71/42/67/802714267.db2.gz NVVLKCQDLQMEFW-WPRPVWTQSA-N 2 2 250.302 0.288 20 0 CCADLP COCc1ccc(-n2c(C)[nH+]c3c2CC[NH2+]CC3)nn1 ZINC001165357435 802827212 /nfs/dbraw/zinc/82/72/12/802827212.db2.gz YZNJDOLNWDMWDY-UHFFFAOYSA-N 2 2 273.340 0.805 20 0 CCADLP CN(C)C(=O)CN(C)c1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001166663566 802933982 /nfs/dbraw/zinc/93/39/82/802933982.db2.gz BVXKZOYESDFDBP-UHFFFAOYSA-N 2 2 277.372 0.016 20 0 CCADLP CN1CC[C@@H](Nc2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)C1=O ZINC001166692351 802939656 /nfs/dbraw/zinc/93/96/56/802939656.db2.gz FYHBQBYJBJFKPZ-UKRRQHHQSA-N 2 2 288.395 0.862 20 0 CCADLP CN1CC[C@@H](Nc2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)C1=O ZINC001166692351 802939658 /nfs/dbraw/zinc/93/96/58/802939658.db2.gz FYHBQBYJBJFKPZ-UKRRQHHQSA-N 2 2 288.395 0.862 20 0 CCADLP COC(=O)C1([NH3+])CCN(c2ccc(N)c[nH+]2)CC1 ZINC001166794744 802960955 /nfs/dbraw/zinc/96/09/55/802960955.db2.gz JRVCBPKRXVRAGO-UHFFFAOYSA-N 2 2 250.302 0.135 20 0 CCADLP C[C@@H]1C[C@H](O)CCN1c1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001166963840 802999480 /nfs/dbraw/zinc/99/94/80/802999480.db2.gz JBDLSQNYJZBYSU-TZMCWYRMSA-N 2 2 276.384 0.841 20 0 CCADLP COCCC[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001204076723 803062853 /nfs/dbraw/zinc/06/28/53/803062853.db2.gz SGZXIDZHVZJMTJ-UHFFFAOYSA-N 2 2 280.372 0.500 20 0 CCADLP C[C@H](O)CCC[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001204076068 803062928 /nfs/dbraw/zinc/06/29/28/803062928.db2.gz IMZAPXRHWQATTE-ZDUSSCGKSA-N 2 2 294.399 0.625 20 0 CCADLP Cc1[nH+]c[nH]c1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC001204592821 803093185 /nfs/dbraw/zinc/09/31/85/803093185.db2.gz RRZFMCHYZUZBGE-UHFFFAOYSA-N 2 2 277.416 0.932 20 0 CCADLP COC(=O)[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001204847847 803104638 /nfs/dbraw/zinc/10/46/38/803104638.db2.gz HCYPLNUNHHEVCB-QWRGUYRKSA-N 2 2 256.346 0.596 20 0 CCADLP COC(=O)[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001204847847 803104646 /nfs/dbraw/zinc/10/46/46/803104646.db2.gz HCYPLNUNHHEVCB-QWRGUYRKSA-N 2 2 256.346 0.596 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2ccnc(F)c2)C1 ZINC001205683442 803154947 /nfs/dbraw/zinc/15/49/47/803154947.db2.gz ZFRRBGYDVWIESM-ZDUSSCGKSA-N 2 2 253.321 0.896 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccnc(F)c2)C1 ZINC001205683442 803154949 /nfs/dbraw/zinc/15/49/49/803154949.db2.gz ZFRRBGYDVWIESM-ZDUSSCGKSA-N 2 2 253.321 0.896 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(O)c3[nH]c(=O)ccc23)C[C@H]1O ZINC001205967773 803193585 /nfs/dbraw/zinc/19/35/85/803193585.db2.gz XMNPOSCZTRKWRP-DGCLKSJQSA-N 2 2 289.335 0.540 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(O)c3[nH]c(=O)ccc23)C[C@H]1O ZINC001205967773 803193590 /nfs/dbraw/zinc/19/35/90/803193590.db2.gz XMNPOSCZTRKWRP-DGCLKSJQSA-N 2 2 289.335 0.540 20 0 CCADLP [NH3+]C[C@]1(F)CCCC[N@H+](CC[C@H]2C[NH2+]CCO2)C1 ZINC001206338206 803231926 /nfs/dbraw/zinc/23/19/26/803231926.db2.gz YFNNQCJCLNERHB-QWHCGFSZSA-N 3 2 259.369 0.518 20 0 CCADLP [NH3+]C[C@]1(F)CCCC[N@@H+](CC[C@H]2C[NH2+]CCO2)C1 ZINC001206338206 803231930 /nfs/dbraw/zinc/23/19/30/803231930.db2.gz YFNNQCJCLNERHB-QWHCGFSZSA-N 3 2 259.369 0.518 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2cccc3c2OCO3)C[C@H]1O ZINC001206474664 803249184 /nfs/dbraw/zinc/24/91/84/803249184.db2.gz GQQSINKXSHXPDZ-WDEREUQCSA-N 2 2 250.298 0.167 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2cccc3c2OCO3)C[C@H]1O ZINC001206474664 803249190 /nfs/dbraw/zinc/24/91/90/803249190.db2.gz GQQSINKXSHXPDZ-WDEREUQCSA-N 2 2 250.298 0.167 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C[NH2+]CCO)CC1 ZINC001206533561 803262553 /nfs/dbraw/zinc/26/25/53/803262553.db2.gz OVRBWUOEKXTJSG-LBPRGKRZSA-N 2 2 294.399 0.409 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C[NH2+]CCO)CC1 ZINC001206533561 803262560 /nfs/dbraw/zinc/26/25/60/803262560.db2.gz OVRBWUOEKXTJSG-LBPRGKRZSA-N 2 2 294.399 0.409 20 0 CCADLP COC(=O)c1cccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1OC ZINC001206535310 803262680 /nfs/dbraw/zinc/26/26/80/803262680.db2.gz JHGVJRYGLIJHRE-AAEUAGOBSA-N 2 2 294.351 0.233 20 0 CCADLP COC(=O)c1cccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1OC ZINC001206535310 803262685 /nfs/dbraw/zinc/26/26/85/803262685.db2.gz JHGVJRYGLIJHRE-AAEUAGOBSA-N 2 2 294.351 0.233 20 0 CCADLP Cc1[nH+]cc(CN2CCC[C@@H](NC(=O)C[NH+](C)C)C2)n1C ZINC001206796998 803289130 /nfs/dbraw/zinc/28/91/30/803289130.db2.gz SEGYQAGHRRIYEF-CYBMUJFWSA-N 2 2 293.415 0.371 20 0 CCADLP C[NH+]1CCN(C2C[NH+](Cc3cc[nH]c(=O)c3)C2)CC1 ZINC001207126047 803356830 /nfs/dbraw/zinc/35/68/30/803356830.db2.gz LJGLBFWTDNFYSG-UHFFFAOYSA-N 2 2 262.357 0.219 20 0 CCADLP CC[N@@H+]1CCC[C@@H]([NH2+]CCCN2C(=O)NC(C)(C)C2=O)C1 ZINC001207812624 803453830 /nfs/dbraw/zinc/45/38/30/803453830.db2.gz FGSNGQMFOGLYPJ-GFCCVEGCSA-N 2 2 296.415 0.781 20 0 CCADLP CC[N@H+]1CCC[C@@H]([NH2+]CCCN2C(=O)NC(C)(C)C2=O)C1 ZINC001207812624 803453832 /nfs/dbraw/zinc/45/38/32/803453832.db2.gz FGSNGQMFOGLYPJ-GFCCVEGCSA-N 2 2 296.415 0.781 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CCC[C@H]([NH2+]CCCO)C1 ZINC001207925176 803467168 /nfs/dbraw/zinc/46/71/68/803467168.db2.gz WVVRWMGNKOSPCD-LBPRGKRZSA-N 2 2 280.372 0.305 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001207924624 803467602 /nfs/dbraw/zinc/46/76/02/803467602.db2.gz PBIPRJCITOSSAT-STQMWFEESA-N 2 2 294.399 0.958 20 0 CCADLP COCCC[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001208299357 803502716 /nfs/dbraw/zinc/50/27/16/803502716.db2.gz MMQMAJKALPDBEM-CQSZACIVSA-N 2 2 294.399 0.959 20 0 CCADLP COCCC[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001208299357 803502717 /nfs/dbraw/zinc/50/27/17/803502717.db2.gz MMQMAJKALPDBEM-CQSZACIVSA-N 2 2 294.399 0.959 20 0 CCADLP F[C@H]1CN(CC[NH+]2CCOCC2)CC[C@H]1[NH+]1CCCC1 ZINC001209296469 803591070 /nfs/dbraw/zinc/59/10/70/803591070.db2.gz RBWWBEYBYDLEOX-LSDHHAIUSA-N 2 2 285.407 0.827 20 0 CCADLP COCCOCN1CC2(C1)C[NH+](CC(C)(C)C[NH+](C)C)C2 ZINC001276658138 803619005 /nfs/dbraw/zinc/61/90/05/803619005.db2.gz HUQROQWXFQIXSR-UHFFFAOYSA-N 2 2 299.459 0.812 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](Cc2c[nH+]ccc2N)CC12CC2 ZINC001209733297 803626232 /nfs/dbraw/zinc/62/62/32/803626232.db2.gz JSNBTGHRFRWQLH-NSHDSACASA-N 2 2 261.325 0.879 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](Cc2c[nH+]ccc2N)CC12CC2 ZINC001209733297 803626234 /nfs/dbraw/zinc/62/62/34/803626234.db2.gz JSNBTGHRFRWQLH-NSHDSACASA-N 2 2 261.325 0.879 20 0 CCADLP Nc1cc[nH+]cc1C[NH+]1CCC(n2cnnc2)CC1 ZINC001209737388 803627010 /nfs/dbraw/zinc/62/70/10/803627010.db2.gz MAGBIHWCTIJBKG-UHFFFAOYSA-N 2 2 258.329 0.923 20 0 CCADLP C[C@@H]1C[N@H+](CCO)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001211449925 803682321 /nfs/dbraw/zinc/68/23/21/803682321.db2.gz ATVMQJFNEOFRQG-CHWSQXEVSA-N 2 2 280.372 0.092 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001211449925 803682325 /nfs/dbraw/zinc/68/23/25/803682325.db2.gz ATVMQJFNEOFRQG-CHWSQXEVSA-N 2 2 280.372 0.092 20 0 CCADLP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C)OC ZINC001216065538 803833747 /nfs/dbraw/zinc/83/37/47/803833747.db2.gz RHQUUYUKJQMULV-FRRDWIJNSA-N 2 2 294.399 0.814 20 0 CCADLP O=C(Nc1cccc2[nH+]ccn21)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001218495949 803962284 /nfs/dbraw/zinc/96/22/84/803962284.db2.gz AYIRLJKUXQHLGB-YGRLFVJLSA-N 2 2 271.324 0.224 20 0 CCADLP Cc1[nH]nc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c1Br ZINC001218525505 803985439 /nfs/dbraw/zinc/98/54/39/803985439.db2.gz VRTOPMHTYXBUPZ-RITPCOANSA-N 2 2 288.149 0.108 20 0 CCADLP Cc1ccc(O)c(NC(=O)C[NH2+]C2CC[NH2+]CC2)n1 ZINC001218564972 804009393 /nfs/dbraw/zinc/00/93/93/804009393.db2.gz NMGHCPVCLSGYIM-UHFFFAOYSA-N 2 2 264.329 0.376 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccnn1CC1CC1 ZINC001218625443 804043426 /nfs/dbraw/zinc/04/34/26/804043426.db2.gz BBJMIAHDPBIIKW-LBPRGKRZSA-N 2 2 288.355 0.535 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1nccc2cnccc21 ZINC001218636942 804051135 /nfs/dbraw/zinc/05/11/35/804051135.db2.gz CBNLHVOWUAIPIB-GFCCVEGCSA-N 2 2 282.307 0.861 20 0 CCADLP COc1ccc(C)nc1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218661707 804070719 /nfs/dbraw/zinc/07/07/19/804070719.db2.gz OQXXVFDHSGPCFO-UHFFFAOYSA-N 2 2 278.356 0.679 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cc(Cl)ncc1CO ZINC001218692571 804081939 /nfs/dbraw/zinc/08/19/39/804081939.db2.gz DULXELKKLQKLLA-SECBINFHSA-N 2 2 295.730 0.459 20 0 CCADLP Cc1ncn(C)c1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218697977 804083019 /nfs/dbraw/zinc/08/30/19/804083019.db2.gz LLEYMOYABRJEST-UHFFFAOYSA-N 2 2 251.334 0.009 20 0 CCADLP Cc1cccc2ncc(NC(=O)[C@@H]([NH3+])Cc3c[nH+]cn3C)n21 ZINC001218736559 804100526 /nfs/dbraw/zinc/10/05/26/804100526.db2.gz JFIOVFOKELWTEW-LBPRGKRZSA-N 2 2 298.350 0.885 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccn2nccc12 ZINC001218787431 804119733 /nfs/dbraw/zinc/11/97/33/804119733.db2.gz BAVUKWGFLOXTSJ-SNVBAGLBSA-N 2 2 270.296 0.566 20 0 CCADLP Cc1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c2n[nH]cc21 ZINC001218829211 804135245 /nfs/dbraw/zinc/13/52/45/804135245.db2.gz ANKLNQQKPUNHKP-UWVGGRQHSA-N 2 2 259.313 0.357 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccc(F)c(O)c1 ZINC001218877720 804144089 /nfs/dbraw/zinc/14/40/89/804144089.db2.gz QCQKWZDBZTWUFV-NSHDSACASA-N 2 2 278.287 0.773 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc2ccncc2c1 ZINC001218889460 804149628 /nfs/dbraw/zinc/14/96/28/804149628.db2.gz UUTCNZIHDFHAGN-STQMWFEESA-N 2 2 256.309 0.720 20 0 CCADLP COCCOc1cccc(NC(=O)[C@@H]([NH3+])CC[NH3+])c1 ZINC001218950666 804163616 /nfs/dbraw/zinc/16/36/16/804163616.db2.gz DLYZFJRACIEYQP-LBPRGKRZSA-N 2 2 267.329 0.326 20 0 CCADLP NC(=S)c1cccc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)c1 ZINC001218967693 804167331 /nfs/dbraw/zinc/16/73/31/804167331.db2.gz DKARZRAATXFPQN-LLVKDONJSA-N 2 2 289.364 0.552 20 0 CCADLP Cc1cc(N)cc2sc(=N)n(C(=O)[C@@H]([NH3+])CC[NH3+])c21 ZINC001218955193 804167829 /nfs/dbraw/zinc/16/78/29/804167829.db2.gz SRORGXQEOXEATG-QMMMGPOBSA-N 2 2 279.369 0.389 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001218996334 804179846 /nfs/dbraw/zinc/17/98/46/804179846.db2.gz XHOQPPSZIMKBSB-WFASDCNBSA-N 3 2 299.378 0.995 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(Cl)c2nsnc21 ZINC001219165828 804225195 /nfs/dbraw/zinc/22/51/95/804225195.db2.gz KIVSBHFQXDSFQR-FSPLSTOPSA-N 2 2 297.771 0.830 20 0 CCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)Nc2ccc(Cl)c3nsnc32)C1 ZINC001219166548 804225376 /nfs/dbraw/zinc/22/53/76/804225376.db2.gz WSAUSEJSLWSDJU-XNCJUZBTSA-N 2 2 297.771 0.972 20 0 CCADLP [NH3+][C@H]1CCCN(c2ccc(NC(=O)C3(F)C[NH2+]C3)cc2)C1 ZINC001219233760 804244063 /nfs/dbraw/zinc/24/40/63/804244063.db2.gz VWUVUGMJHZBKJG-NSHDSACASA-N 2 2 292.358 0.864 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](C(=O)Nc2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC001219347892 804281383 /nfs/dbraw/zinc/28/13/83/804281383.db2.gz UMMXQPJUFJZJBQ-AAEUAGOBSA-N 2 2 291.351 0.625 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)C2CC2)cc1 ZINC001219404715 804301212 /nfs/dbraw/zinc/30/12/12/804301212.db2.gz BORKCEPHVZOQGG-LBPRGKRZSA-N 2 2 261.325 0.894 20 0 CCADLP Nc1cccc2c1N(C(=O)C1([NH3+])CC[NH2+]CC1)CC2 ZINC001219440273 804312893 /nfs/dbraw/zinc/31/28/93/804312893.db2.gz WTJGZGDQMADKTQ-UHFFFAOYSA-N 2 2 260.341 0.239 20 0 CCADLP [NH3+][C@@H](Cc1cccc(O)c1)C(=O)NCCn1cc[nH+]c1 ZINC001219563656 804352121 /nfs/dbraw/zinc/35/21/21/804352121.db2.gz GCPYKBGAQMTXLF-ZDUSSCGKSA-N 2 2 274.324 0.275 20 0 CCADLP Cc1cc(C)cc(OC[C@H](C)NC(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)c1 ZINC001219712809 804411295 /nfs/dbraw/zinc/41/12/95/804411295.db2.gz XCLVCGNVQIFQNT-YDHLFZDLSA-N 2 2 291.395 0.876 20 0 CCADLP Cc1nonc1CNC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001219947495 804454493 /nfs/dbraw/zinc/45/44/93/804454493.db2.gz BGVMIKFRFHAXHL-LLVKDONJSA-N 2 2 275.312 0.267 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@H](c2ccccc2)c2ccncc2)C1 ZINC001219947764 804454556 /nfs/dbraw/zinc/45/45/56/804454556.db2.gz FIXWNTAMTHLESP-OWCLPIDISA-N 2 2 296.374 0.976 20 0 CCADLP Cc1c[nH]c(CCNC(=O)[C@H]2CCC[NH2+][C@@H]2C)[nH+]1 ZINC001219952495 804456444 /nfs/dbraw/zinc/45/64/44/804456444.db2.gz WLVITYALMNZSLR-MNOVXSKESA-N 2 2 250.346 0.765 20 0 CCADLP CC(C)(C)[C@H](CO)NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220217379 804539787 /nfs/dbraw/zinc/53/97/87/804539787.db2.gz XXYRHQAEWAKPAY-OLZOCXBDSA-N 2 2 279.384 0.782 20 0 CCADLP CC1(C)C[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CCO1 ZINC001220219111 804541206 /nfs/dbraw/zinc/54/12/06/804541206.db2.gz QBYGGPRJZWAKNL-GYSYKLTISA-N 2 2 267.373 0.012 20 0 CCADLP C[NH2+]CCC(=O)NCCSCc1[nH]c[nH+]c1C ZINC001220257392 804553647 /nfs/dbraw/zinc/55/36/47/804553647.db2.gz XQSLWFNUAJMVCR-UHFFFAOYSA-N 2 2 256.375 0.677 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001220275272 804559052 /nfs/dbraw/zinc/55/90/52/804559052.db2.gz XPKMUYACWIFEKQ-JQWIXIFHSA-N 2 2 284.335 0.236 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC(C)(C)C1 ZINC001220291781 804563479 /nfs/dbraw/zinc/56/34/79/804563479.db2.gz XJLNGASHUBKOCJ-WYUUTHIRSA-N 2 2 253.390 0.864 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@H]1CCCC(F)(F)C1 ZINC001220308875 804570080 /nfs/dbraw/zinc/57/00/80/804570080.db2.gz QMMUVDZWQYIVSK-ONGXEEELSA-N 2 2 286.326 0.984 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCOc1ccccc1 ZINC001220563535 804623722 /nfs/dbraw/zinc/62/37/22/804623722.db2.gz XCJKUDCWZITQNI-LBPRGKRZSA-N 2 2 260.297 0.432 20 0 CCADLP [NH3+]C1(C(=O)NCCc2ccc3[nH]ccc3c2)CC[NH2+]CC1 ZINC001220591250 804633751 /nfs/dbraw/zinc/63/37/51/804633751.db2.gz ZJEZVIAHZPWIKY-UHFFFAOYSA-N 2 2 286.379 0.908 20 0 CCADLP [NH3+]C1(C(=O)N[C@H]2CNc3ccccc3C2)CC[NH2+]CC1 ZINC001220601691 804636380 /nfs/dbraw/zinc/63/63/80/804636380.db2.gz LZAHXBLARZORKP-GFCCVEGCSA-N 2 2 274.368 0.220 20 0 CCADLP COc1cc(F)cc(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)c1 ZINC001220666349 804645528 /nfs/dbraw/zinc/64/55/28/804645528.db2.gz VSSIDDHCEPKHCG-ZDUSSCGKSA-N 2 2 292.314 0.744 20 0 CCADLP CCOC(=O)[C@H](NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)[C@@H](C)CC ZINC001220666507 804645899 /nfs/dbraw/zinc/64/58/99/804645899.db2.gz ZNPCWYXFASYHKV-FUTJPDQTSA-N 2 2 297.399 0.032 20 0 CCADLP CCOC(=O)[C@H](NC(=O)C1([NH3+])CC[NH2+]CC1)[C@@H](C)CC ZINC001220665532 804646301 /nfs/dbraw/zinc/64/63/01/804646301.db2.gz CAYDYNLCGISNAV-WDEREUQCSA-N 2 2 285.388 0.161 20 0 CCADLP COC(=O)C[C@H](NC(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)C1CCCCC1 ZINC001220731204 804657897 /nfs/dbraw/zinc/65/78/97/804657897.db2.gz HQNQDJKEZBVLSW-AVGNSLFASA-N 2 2 297.399 0.304 20 0 CCADLP OC[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1O ZINC000316047256 804668039 /nfs/dbraw/zinc/66/80/39/804668039.db2.gz DVHNMCMDCCEUTI-UKRRQHHQSA-N 2 2 273.336 0.657 20 0 CCADLP OC[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1O ZINC000316047256 804668042 /nfs/dbraw/zinc/66/80/42/804668042.db2.gz DVHNMCMDCCEUTI-UKRRQHHQSA-N 2 2 273.336 0.657 20 0 CCADLP CC(C)CC1(NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CCOCC1 ZINC001221000715 804715377 /nfs/dbraw/zinc/71/53/77/804715377.db2.gz DJXCLBNEKPDAQJ-MELADBBJSA-N 2 2 295.427 0.648 20 0 CCADLP CC[N@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@@H](O)C1 ZINC001221096435 804729660 /nfs/dbraw/zinc/72/96/60/804729660.db2.gz SNVVYXBOFVEQJS-ILXRZTDVSA-N 2 2 291.395 0.471 20 0 CCADLP CC[N@@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@@H](O)C1 ZINC001221096435 804729663 /nfs/dbraw/zinc/72/96/63/804729663.db2.gz SNVVYXBOFVEQJS-ILXRZTDVSA-N 2 2 291.395 0.471 20 0 CCADLP COc1cccnc1[C@@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C1CC1 ZINC001221214339 804747723 /nfs/dbraw/zinc/74/77/23/804747723.db2.gz BKSYNVKBBALDDD-GVXVVHGQSA-N 2 2 290.367 0.204 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCc1cc2ccccn2n1 ZINC001221234896 804751954 /nfs/dbraw/zinc/75/19/54/804751954.db2.gz NATZURLUNNIAGV-AWEZNQCLSA-N 2 2 298.350 0.254 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NCCCCCO)cc1 ZINC001221288757 804766252 /nfs/dbraw/zinc/76/62/52/804766252.db2.gz QBSQDOQTAXZCHZ-CYBMUJFWSA-N 2 2 265.357 0.538 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NCCCCCO)cc1 ZINC001221288758 804766799 /nfs/dbraw/zinc/76/67/99/804766799.db2.gz QBSQDOQTAXZCHZ-ZDUSSCGKSA-N 2 2 265.357 0.538 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C(=O)Nc2ccccc21 ZINC001221309647 804773126 /nfs/dbraw/zinc/77/31/26/804773126.db2.gz UHSLEBFDBGOFME-NEPJUHHUSA-N 2 2 299.334 0.132 20 0 CCADLP CCCC(C[NH3+])(CCC)NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221371673 804791853 /nfs/dbraw/zinc/79/18/53/804791853.db2.gz HLTDPYVCNRECBY-WFASDCNBSA-N 3 2 282.432 0.352 20 0 CCADLP CC[C@H](CO)NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001221381111 804796068 /nfs/dbraw/zinc/79/60/68/804796068.db2.gz SXQUCFFWAXISMR-NEPJUHHUSA-N 2 2 251.330 0.146 20 0 CCADLP CC(C)N(C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)C(C)(C)C[NH3+] ZINC001221394580 804800384 /nfs/dbraw/zinc/80/03/84/804800384.db2.gz RGLRTRNYXPQYRB-GYSYKLTISA-N 3 2 268.405 0.183 20 0 CCADLP C[NH+](C)CC1CCC(NC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001221402272 804803122 /nfs/dbraw/zinc/80/31/22/804803122.db2.gz BRBDWGQBVQARKB-YWIABWOTSA-N 3 2 294.443 0.175 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[NH+](CCF)C[C@H]21 ZINC001222053012 804861354 /nfs/dbraw/zinc/86/13/54/804861354.db2.gz GAPHPTVXIOORNR-CHWSQXEVSA-N 2 2 271.380 0.829 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CC[NH+](CCF)C[C@H]21 ZINC001222053012 804861358 /nfs/dbraw/zinc/86/13/58/804861358.db2.gz GAPHPTVXIOORNR-CHWSQXEVSA-N 2 2 271.380 0.829 20 0 CCADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@H+](CCF)C[C@H]21 ZINC001222053012 804861364 /nfs/dbraw/zinc/86/13/64/804861364.db2.gz GAPHPTVXIOORNR-CHWSQXEVSA-N 2 2 271.380 0.829 20 0 CCADLP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[N@@H+](CCF)C[C@H]21 ZINC001222053012 804861370 /nfs/dbraw/zinc/86/13/70/804861370.db2.gz GAPHPTVXIOORNR-CHWSQXEVSA-N 2 2 271.380 0.829 20 0 CCADLP CCc1[nH]ncc1C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222104875 804870470 /nfs/dbraw/zinc/87/04/70/804870470.db2.gz PAIYKLAHCYZMTA-UHFFFAOYSA-N 2 2 263.389 0.500 20 0 CCADLP CCc1[nH]ncc1C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222104875 804870476 /nfs/dbraw/zinc/87/04/76/804870476.db2.gz PAIYKLAHCYZMTA-UHFFFAOYSA-N 2 2 263.389 0.500 20 0 CCADLP C(C[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1)[C@H]1C[NH2+]CCO1 ZINC001222385235 804896077 /nfs/dbraw/zinc/89/60/77/804896077.db2.gz IHBJVSCGMDWSAS-LSDHHAIUSA-N 3 2 267.417 0.973 20 0 CCADLP C(C[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1)[C@H]1C[NH2+]CCO1 ZINC001222385235 804896085 /nfs/dbraw/zinc/89/60/85/804896085.db2.gz IHBJVSCGMDWSAS-LSDHHAIUSA-N 3 2 267.417 0.973 20 0 CCADLP CC(=O)N1CCC[C@H](CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)C1 ZINC001222492369 804905752 /nfs/dbraw/zinc/90/57/52/804905752.db2.gz UUVFFEXQIATLIU-JYJNAYRXSA-N 2 2 294.443 0.271 20 0 CCADLP c1[nH+]c(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c2ccccn12 ZINC001222502609 804908657 /nfs/dbraw/zinc/90/86/57/804908657.db2.gz NRSVFOZJQXJOSJ-BBRMVZONSA-N 3 2 285.395 0.860 20 0 CCADLP COc1ncnc(OC)c1C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222548489 804914792 /nfs/dbraw/zinc/91/47/92/804914792.db2.gz NUGFIHQXBQWJIZ-UHFFFAOYSA-N 2 2 284.335 0.757 20 0 CCADLP C[NH+]1CCN(CCO[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001224550562 805050895 /nfs/dbraw/zinc/05/08/95/805050895.db2.gz WTJLWQLVUDBCHV-ZDUSSCGKSA-N 2 2 264.373 0.462 20 0 CCADLP C[N@@H+]1CCO[C@H](COc2ccc(C(=[NH2+])NO)c(F)c2)C1 ZINC001229084711 805502549 /nfs/dbraw/zinc/50/25/49/805502549.db2.gz WYONLELIPZLPJL-JTQLQIEISA-N 2 2 283.303 0.839 20 0 CCADLP C[N@H+]1CCO[C@H](COc2ccc(C(=[NH2+])NO)c(F)c2)C1 ZINC001229084711 805502557 /nfs/dbraw/zinc/50/25/57/805502557.db2.gz WYONLELIPZLPJL-JTQLQIEISA-N 2 2 283.303 0.839 20 0 CCADLP C[C@@H](CC(=O)NC1CC[NH+](CCCO)CC1)n1cc[nH+]c1 ZINC001229393394 805529059 /nfs/dbraw/zinc/52/90/59/805529059.db2.gz QIIFKHRSCKEEGF-ZDUSSCGKSA-N 2 2 294.399 0.797 20 0 CCADLP C[C@@H]1CC[N@H+](C[C@H](O)COCc2ccco2)C[C@@H]1[NH3+] ZINC001246019445 807118847 /nfs/dbraw/zinc/11/88/47/807118847.db2.gz HPUREGZBFWDOFO-DYEKYZERSA-N 2 2 268.357 0.826 20 0 CCADLP C[C@@H]1CC[N@@H+](C[C@H](O)COCc2ccco2)C[C@@H]1[NH3+] ZINC001246019445 807118852 /nfs/dbraw/zinc/11/88/52/807118852.db2.gz HPUREGZBFWDOFO-DYEKYZERSA-N 2 2 268.357 0.826 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001246022456 807122359 /nfs/dbraw/zinc/12/23/59/807122359.db2.gz JWQWVEYJPBNFDN-LBPRGKRZSA-N 3 2 261.385 0.452 20 0 CCADLP CCOC(=O)C1CCC(O)(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001246030961 807126843 /nfs/dbraw/zinc/12/68/43/807126843.db2.gz ZJERJPQKAWRZRN-MYMJJRTCSA-N 2 2 296.411 0.907 20 0 CCADLP CCOC(=O)C1CCC(O)(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC001246030961 807126849 /nfs/dbraw/zinc/12/68/49/807126849.db2.gz ZJERJPQKAWRZRN-MYMJJRTCSA-N 2 2 296.411 0.907 20 0 CCADLP CC1(C[NH3+])C[NH+](C[C@H](O)COc2ccccc2)C1 ZINC001246030921 807127097 /nfs/dbraw/zinc/12/70/97/807127097.db2.gz GGWIUXWHVAKCRY-LBPRGKRZSA-N 2 2 250.342 0.707 20 0 CCADLP COc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246048641 807134083 /nfs/dbraw/zinc/13/40/83/807134083.db2.gz ZDJCATAWSDLVBG-XJKCOSOUSA-N 2 2 292.379 0.858 20 0 CCADLP COc1ccccc1OC[C@H](O)C[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001246048641 807134087 /nfs/dbraw/zinc/13/40/87/807134087.db2.gz ZDJCATAWSDLVBG-XJKCOSOUSA-N 2 2 292.379 0.858 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)CN1 ZINC001246077976 807143922 /nfs/dbraw/zinc/14/39/22/807143922.db2.gz ADWHQXUMBSVTJT-RVMXOQNASA-N 2 2 269.389 0.400 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CCCC[NH2+]C2)C[C@@H]1C(=O)OC ZINC001246089883 807150359 /nfs/dbraw/zinc/15/03/59/807150359.db2.gz HMCBRLNKCANYOD-RVMXOQNASA-N 2 2 298.383 0.459 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[C@@H](C)C[NH2+]2)CN1 ZINC001246109514 807155081 /nfs/dbraw/zinc/15/50/81/807155081.db2.gz XTOXEIRJRAHUFT-NDBYEHHHSA-N 2 2 269.389 0.258 20 0 CCADLP c1ccc([C@@H]2[NH2+]CC[C@H]2[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246146076 807166329 /nfs/dbraw/zinc/16/63/29/807166329.db2.gz XXGBWWZQGZJXSN-OAGGEKHMSA-N 3 2 286.423 0.773 20 0 CCADLP CC[C@@H]1CC([NH2+]C[C@]2(O)CCC[NH2+]C2)C[C@@H](CC)[NH2+]1 ZINC001246225066 807191745 /nfs/dbraw/zinc/19/17/45/807191745.db2.gz APNAAPDMUKKXPB-NFAWXSAZSA-N 3 2 269.433 1.000 20 0 CCADLP C[C@@H]1CC[C@@H]([NH2+]C2CCN(C3COC3)CC2)C[NH2+]1 ZINC001246265451 807201550 /nfs/dbraw/zinc/20/15/50/807201550.db2.gz YLDMFOXZALWGSF-DGCLKSJQSA-N 2 2 253.390 0.580 20 0 CCADLP C[C@@H]1CC[C@@H](NC2CC[NH+](C3COC3)CC2)C[NH2+]1 ZINC001246265451 807201554 /nfs/dbraw/zinc/20/15/54/807201554.db2.gz YLDMFOXZALWGSF-DGCLKSJQSA-N 2 2 253.390 0.580 20 0 CCADLP OC[C@H]1C[NH2+]C[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001246296824 807212328 /nfs/dbraw/zinc/21/23/28/807212328.db2.gz CTRCVTHDEIBUSA-IUODEOHRSA-N 3 2 276.384 0.220 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2C[NH2+]CCC2(C)C)CN1 ZINC001246323818 807221155 /nfs/dbraw/zinc/22/11/55/807221155.db2.gz CDSREYPIEKJGTD-AGIUHOORSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@H]1CC[C@H]([NH2+][C@H]2CCN(C(=O)C3CC3)C2)C[NH2+]1 ZINC001246354840 807232432 /nfs/dbraw/zinc/23/24/32/807232432.db2.gz ZPDNGZZRMVQTJE-DRZSPHRISA-N 2 2 251.374 0.727 20 0 CCADLP C(C1CCC1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246358620 807234163 /nfs/dbraw/zinc/23/41/63/807234163.db2.gz ABFOKLBMJYLSGC-CABCVRRESA-N 3 2 278.444 0.544 20 0 CCADLP C(C1CCC1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246358620 807234166 /nfs/dbraw/zinc/23/41/66/807234166.db2.gz ABFOKLBMJYLSGC-CABCVRRESA-N 3 2 278.444 0.544 20 0 CCADLP CCOC(=O)[C@H](N)C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246415533 807247206 /nfs/dbraw/zinc/24/72/06/807247206.db2.gz DIFVUIUJPLTNRA-ZNMIVQPWSA-N 2 2 291.395 0.960 20 0 CCADLP CC(C)[NH2+]CCN[C@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246456426 807254981 /nfs/dbraw/zinc/25/49/81/807254981.db2.gz AJPZOYVLMFYOHG-NEPJUHHUSA-N 2 2 271.405 0.646 20 0 CCADLP C([NH2+][C@H]1CCC[NH2+]C1)C1CC[NH+](C2COC2)CC1 ZINC001246470827 807259443 /nfs/dbraw/zinc/25/94/43/807259443.db2.gz RRAZAPZBRXBTIP-ZDUSSCGKSA-N 3 2 253.390 0.439 20 0 CCADLP CCOC(=O)C[NH+]1CCC(N[C@@H]2C[NH2+]CC[C@@H]2F)CC1 ZINC001246477768 807259949 /nfs/dbraw/zinc/25/99/49/807259949.db2.gz PAIXXMUIFFALFO-QWHCGFSZSA-N 2 2 287.379 0.304 20 0 CCADLP C[NH2+][C@H]1C[C@@H]([NH2+][C@@H]2CN[C@H](C(=O)OC(C)(C)C)C2)C1 ZINC001246494128 807264252 /nfs/dbraw/zinc/26/42/52/807264252.db2.gz DTTSQJNMGSVSPK-USZNOCQGSA-N 2 2 269.389 0.399 20 0 CCADLP CCOC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2CC[C@@H](C)[NH2+]C2)cn1 ZINC001246515068 807270830 /nfs/dbraw/zinc/27/08/30/807270830.db2.gz CGZLIWBMRFBYLV-RTXFEEFZSA-N 2 2 280.372 0.629 20 0 CCADLP CCOC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2CC[NH2+][C@@H](C)C2)cn1 ZINC001246524979 807273549 /nfs/dbraw/zinc/27/35/49/807273549.db2.gz QMKAMYFFRDHCDV-UHTWSYAYSA-N 2 2 280.372 0.629 20 0 CCADLP CCOC(=O)CC1([NH3+])CC[NH+]([C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246534363 807275175 /nfs/dbraw/zinc/27/51/75/807275175.db2.gz YEFRSCYHQPWEGE-STQMWFEESA-N 3 2 283.416 0.873 20 0 CCADLP CCOC(=O)CC1([NH3+])CC[NH+]([C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246534362 807275302 /nfs/dbraw/zinc/27/53/02/807275302.db2.gz YEFRSCYHQPWEGE-QWHCGFSZSA-N 3 2 283.416 0.873 20 0 CCADLP CCOC(=O)[C@H]1CC12CCC([N@@H+]1C[C@@H]([NH3+])[C@H](O)C1)CC2 ZINC001246556955 807286632 /nfs/dbraw/zinc/28/66/32/807286632.db2.gz LOOVBLJEEFYKGN-YGFYLSKRSA-N 2 2 282.384 0.502 20 0 CCADLP CCOC(=O)[C@H]1CC12CCC([N@H+]1C[C@@H]([NH3+])[C@H](O)C1)CC2 ZINC001246556955 807286637 /nfs/dbraw/zinc/28/66/37/807286637.db2.gz LOOVBLJEEFYKGN-YGFYLSKRSA-N 2 2 282.384 0.502 20 0 CCADLP C[C@H]1C[C@@H]([N@@H+]2C[C@](O)(C(F)(F)F)C[C@H]2CO)CC[NH2+]1 ZINC001246568742 807294802 /nfs/dbraw/zinc/29/48/02/807294802.db2.gz AYFRPPSEKFNHBJ-NAKRPEOUSA-N 2 2 282.306 0.487 20 0 CCADLP C[C@H]1C[C@@H]([N@H+]2C[C@](O)(C(F)(F)F)C[C@H]2CO)CC[NH2+]1 ZINC001246568742 807294808 /nfs/dbraw/zinc/29/48/08/807294808.db2.gz AYFRPPSEKFNHBJ-NAKRPEOUSA-N 2 2 282.306 0.487 20 0 CCADLP CCOC(=O)C[NH+]1CCC(N2CC[C@@H](C)[C@@H]([NH3+])C2)CC1 ZINC001246570700 807296837 /nfs/dbraw/zinc/29/68/37/807296837.db2.gz SKDPFUQLZBOHIB-OCCSQVGLSA-N 2 2 283.416 0.683 20 0 CCADLP CCOC(=O)N1CC[C@H]([N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)C1 ZINC001246586158 807308519 /nfs/dbraw/zinc/30/85/19/807308519.db2.gz MQRLRAXZJKPGLH-SRVKXCTJSA-N 2 2 273.352 0.978 20 0 CCADLP CCOC(=O)N1CC[C@H]([N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)C1 ZINC001246586158 807308528 /nfs/dbraw/zinc/30/85/28/807308528.db2.gz MQRLRAXZJKPGLH-SRVKXCTJSA-N 2 2 273.352 0.978 20 0 CCADLP CCOC(=O)[C@@]12C[N@@H+]([C@H](C)CC[NH2+]C)C[C@@H]1C[NH2+]CCC2 ZINC001246609779 807321237 /nfs/dbraw/zinc/32/12/37/807321237.db2.gz NPEGKJLJOAPXRT-YCPHGPKFSA-N 3 2 297.443 0.849 20 0 CCADLP CCOC(=O)[C@@]12C[N@H+]([C@H](C)CC[NH2+]C)C[C@@H]1C[NH2+]CCC2 ZINC001246609779 807321245 /nfs/dbraw/zinc/32/12/45/807321245.db2.gz NPEGKJLJOAPXRT-YCPHGPKFSA-N 3 2 297.443 0.849 20 0 CCADLP CC(=O)N1CCC2(CC1)C[N@H+]([C@H]1CC[NH2+][C@H](C)C1)CCO2 ZINC001246722760 807366883 /nfs/dbraw/zinc/36/68/83/807366883.db2.gz SEUYDVIAIXBXLA-HIFRSBDPSA-N 2 2 295.427 0.840 20 0 CCADLP CC(=O)N1CCC2(CC1)C[N@@H+]([C@H]1CC[NH2+][C@H](C)C1)CCO2 ZINC001246722760 807366892 /nfs/dbraw/zinc/36/68/92/807366892.db2.gz SEUYDVIAIXBXLA-HIFRSBDPSA-N 2 2 295.427 0.840 20 0 CCADLP COCCN1CCC2(CC[NH+]([C@@H]3CCC[NH2+]C3)CC2)C1=O ZINC001246747283 807370813 /nfs/dbraw/zinc/37/08/13/807370813.db2.gz UALIUPHYWDROSH-CQSZACIVSA-N 2 2 295.427 0.699 20 0 CCADLP COCC[N@H+](C1CCN(C(C)=O)CC1)[C@H]1CCC[NH2+]C1 ZINC001246779047 807377274 /nfs/dbraw/zinc/37/72/74/807377274.db2.gz PEAYMWFMRZPVRL-HNNXBMFYSA-N 2 2 283.416 0.698 20 0 CCADLP COCC[N@@H+](C1CCN(C(C)=O)CC1)[C@H]1CCC[NH2+]C1 ZINC001246779047 807377282 /nfs/dbraw/zinc/37/72/82/807377282.db2.gz PEAYMWFMRZPVRL-HNNXBMFYSA-N 2 2 283.416 0.698 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N2CCC[N@@H+]3CCC[C@H]3C2)C[NH2+]1 ZINC001246793562 807382140 /nfs/dbraw/zinc/38/21/40/807382140.db2.gz SZDLAUZZDNMRAR-XQQFMLRXSA-N 2 2 267.373 0.060 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N2CCC[N@H+]3CCC[C@H]3C2)C[NH2+]1 ZINC001246793562 807382147 /nfs/dbraw/zinc/38/21/47/807382147.db2.gz SZDLAUZZDNMRAR-XQQFMLRXSA-N 2 2 267.373 0.060 20 0 CCADLP CC[NH+]1CCC([N@H+](C)[C@H]2CC[C@@H](C(=O)OC)NC2)CC1 ZINC001246808838 807390477 /nfs/dbraw/zinc/39/04/77/807390477.db2.gz UCZJJNZCEHBAGZ-KBPBESRZSA-N 2 2 283.416 0.696 20 0 CCADLP CC[NH+]1CCC([N@@H+](C)[C@H]2CC[C@@H](C(=O)OC)NC2)CC1 ZINC001246808838 807390484 /nfs/dbraw/zinc/39/04/84/807390484.db2.gz UCZJJNZCEHBAGZ-KBPBESRZSA-N 2 2 283.416 0.696 20 0 CCADLP COC(=O)[C@H]1COCCC12C[NH+]([C@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246854936 807407731 /nfs/dbraw/zinc/40/77/31/807407731.db2.gz RMNDWMZDGOTSGF-FRRDWIJNSA-N 2 2 282.384 0.638 20 0 CCADLP [NH3+]CCN1CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168356060 815116257 /nfs/dbraw/zinc/11/62/57/815116257.db2.gz KDFGPBQFGYUACX-UHFFFAOYSA-N 3 2 266.433 0.437 20 0 CCADLP COC(=O)C1C[C@@H]2CC([N@@H+]3C[C@@H]4C[C@]4([NH3+])C3)C[C@H](C1)[NH2+]2 ZINC001246865491 807413208 /nfs/dbraw/zinc/41/32/08/807413208.db2.gz CTPPHZXRRAIWOY-UASXXSFISA-N 3 2 279.384 0.092 20 0 CCADLP COC(=O)C1C[C@@H]2CC([N@H+]3C[C@@H]4C[C@]4([NH3+])C3)C[C@H](C1)[NH2+]2 ZINC001246865491 807413211 /nfs/dbraw/zinc/41/32/11/807413211.db2.gz CTPPHZXRRAIWOY-UASXXSFISA-N 3 2 279.384 0.092 20 0 CCADLP COC(=O)[C@H]1C[N@@H+]([C@H]2CCC[C@@H](C(=O)OC)CC2)C[C@@H]1[NH3+] ZINC001246937798 807436292 /nfs/dbraw/zinc/43/62/92/807436292.db2.gz NZEDLJSRVWYGMF-VOAKCMCISA-N 2 2 298.383 0.540 20 0 CCADLP COC(=O)[C@H]1C[N@H+]([C@H]2CCC[C@@H](C(=O)OC)CC2)C[C@@H]1[NH3+] ZINC001246937798 807436293 /nfs/dbraw/zinc/43/62/93/807436293.db2.gz NZEDLJSRVWYGMF-VOAKCMCISA-N 2 2 298.383 0.540 20 0 CCADLP OC[C@@H]1CCn2nccc2C[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246941978 807436941 /nfs/dbraw/zinc/43/69/41/807436941.db2.gz NKDFGXHYZHGVGT-PEZGSVAQSA-N 2 2 276.384 0.733 20 0 CCADLP OC[C@@H]1CCn2nccc2C[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246941978 807436946 /nfs/dbraw/zinc/43/69/46/807436946.db2.gz NKDFGXHYZHGVGT-PEZGSVAQSA-N 2 2 276.384 0.733 20 0 CCADLP CN1C(=O)CC[C@@H]2C[N@H+]([C@H]3CCC[NH2+]C3)CC[C@H]21 ZINC001246990409 807448523 /nfs/dbraw/zinc/44/85/23/807448523.db2.gz TWZKGENOVSYDNK-FRRDWIJNSA-N 2 2 251.374 0.681 20 0 CCADLP CN1C(=O)CC[C@@H]2C[N@@H+]([C@H]3CCC[NH2+]C3)CC[C@H]21 ZINC001246990409 807448529 /nfs/dbraw/zinc/44/85/29/807448529.db2.gz TWZKGENOVSYDNK-FRRDWIJNSA-N 2 2 251.374 0.681 20 0 CCADLP [NH3+]C[C@H]([NH3+])Cc1nc(-c2ccc(F)cc2F)no1 ZINC001249128887 807544321 /nfs/dbraw/zinc/54/43/21/807544321.db2.gz HZXAFKHAGGCTDV-SSDOTTSWSA-N 2 2 254.240 0.843 20 0 CCADLP c1cn(CCc2ccnc(N3CC[NH2+]CC3)c2)c[nH+]1 ZINC001250318346 807591330 /nfs/dbraw/zinc/59/13/30/807591330.db2.gz CZQGDOKCDPVAHQ-UHFFFAOYSA-N 2 2 257.341 0.930 20 0 CCADLP CN(C(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1C[NH+](CCCF)C1 ZINC001042756924 815134303 /nfs/dbraw/zinc/13/43/03/815134303.db2.gz WGJNCSBFUAPZSH-TZMCWYRMSA-N 2 2 299.390 0.352 20 0 CCADLP CN(C(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1C[NH+](CCCF)C1 ZINC001042756924 815134305 /nfs/dbraw/zinc/13/43/05/815134305.db2.gz WGJNCSBFUAPZSH-TZMCWYRMSA-N 2 2 299.390 0.352 20 0 CCADLP [NH2+]=C(NC[C@H](O)C[NH+]1CCOCC1)c1cc(F)cc(F)c1 ZINC001251034859 807650311 /nfs/dbraw/zinc/65/03/11/807650311.db2.gz CNUKUDBTHFMVIM-ZDUSSCGKSA-N 2 2 299.321 0.573 20 0 CCADLP [NH2+]=C(NC[C@@H](O)C[NH+]1CCOCC1)c1ccc(Cl)nc1 ZINC001251036165 807650430 /nfs/dbraw/zinc/65/04/30/807650430.db2.gz ZZQGUMUMVKFBLP-LLVKDONJSA-N 2 2 298.774 0.343 20 0 CCADLP CCC(CC)[N@@H+]1CC[C@H](NC[C@H](O)C[NH+]2CCOCC2)C1 ZINC001251046174 807656089 /nfs/dbraw/zinc/65/60/89/807656089.db2.gz OIMOCNSXEHBXLF-HOCLYGCPSA-N 2 2 299.459 0.532 20 0 CCADLP CCC(CC)[N@H+]1CC[C@H](NC[C@H](O)C[NH+]2CCOCC2)C1 ZINC001251046174 807656093 /nfs/dbraw/zinc/65/60/93/807656093.db2.gz OIMOCNSXEHBXLF-HOCLYGCPSA-N 2 2 299.459 0.532 20 0 CCADLP C[NH+]1CC(C[NH2+]C[C@H](O)COCC(F)(F)C(F)F)C1 ZINC001251638015 807690575 /nfs/dbraw/zinc/69/05/75/807690575.db2.gz LVYXPTSEGHDEBT-VIFPVBQESA-N 2 2 288.285 0.416 20 0 CCADLP CCOC[C@H](O)C[NH+]1CCc2[nH]c(C)[nH+]c2CC1 ZINC001252021838 807763241 /nfs/dbraw/zinc/76/32/41/807763241.db2.gz QIKFVSTVPOKOLQ-LLVKDONJSA-N 2 2 253.346 0.516 20 0 CCADLP CO[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)CO ZINC001252075375 807793970 /nfs/dbraw/zinc/79/39/70/807793970.db2.gz JDCZZDJMYOGMMC-XHSDSOJGSA-N 2 2 294.395 0.219 20 0 CCADLP CO[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)CO ZINC001252075375 807793971 /nfs/dbraw/zinc/79/39/71/807793971.db2.gz JDCZZDJMYOGMMC-XHSDSOJGSA-N 2 2 294.395 0.219 20 0 CCADLP OCC1C[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001252930513 807986359 /nfs/dbraw/zinc/98/63/59/807986359.db2.gz WSXXDXACKINUCS-INIZCTEOSA-N 2 2 276.380 0.548 20 0 CCADLP OCC1C[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001252930513 807986363 /nfs/dbraw/zinc/98/63/63/807986363.db2.gz WSXXDXACKINUCS-INIZCTEOSA-N 2 2 276.380 0.548 20 0 CCADLP NC(=O)C1C[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001252929936 807986731 /nfs/dbraw/zinc/98/67/31/807986731.db2.gz LRCCMDFYTZJPEQ-MRXNPFEDSA-N 2 2 289.379 0.041 20 0 CCADLP NC(=O)C1C[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001252929936 807986735 /nfs/dbraw/zinc/98/67/35/807986735.db2.gz LRCCMDFYTZJPEQ-MRXNPFEDSA-N 2 2 289.379 0.041 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCc2c(cc[nH]c2=O)C1 ZINC001253193709 808026507 /nfs/dbraw/zinc/02/65/07/808026507.db2.gz HYAXCHNOVSSIMQ-CYBMUJFWSA-N 2 2 279.384 0.848 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCc2c(cc[nH]c2=O)C1 ZINC001253193709 808026515 /nfs/dbraw/zinc/02/65/15/808026515.db2.gz HYAXCHNOVSSIMQ-CYBMUJFWSA-N 2 2 279.384 0.848 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCc2c(cc[nH]c2=O)C1 ZINC001253193711 808026863 /nfs/dbraw/zinc/02/68/63/808026863.db2.gz HYAXCHNOVSSIMQ-ZDUSSCGKSA-N 2 2 279.384 0.848 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCc2c(cc[nH]c2=O)C1 ZINC001253193711 808026869 /nfs/dbraw/zinc/02/68/69/808026869.db2.gz HYAXCHNOVSSIMQ-ZDUSSCGKSA-N 2 2 279.384 0.848 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]Cc1ccccc1C(N)=O ZINC001253203562 808028582 /nfs/dbraw/zinc/02/85/82/808028582.db2.gz IASHDMFZIZYFPF-CYBMUJFWSA-N 2 2 279.384 0.578 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@H](O)c1ccccn1 ZINC001253209290 808033587 /nfs/dbraw/zinc/03/35/87/808033587.db2.gz DNPSGTKOYVINSB-OCCSQVGLSA-N 2 2 267.373 0.407 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCC[C@@]2(CCCC(=O)N2)C1 ZINC001253391269 808053250 /nfs/dbraw/zinc/05/32/50/808053250.db2.gz XTLJNIDNJYPWBC-CJNGLKHVSA-N 2 2 297.443 0.870 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@@]2(CCCC(=O)N2)C1 ZINC001253391269 808053254 /nfs/dbraw/zinc/05/32/54/808053254.db2.gz XTLJNIDNJYPWBC-CJNGLKHVSA-N 2 2 297.443 0.870 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC001253393634 808055226 /nfs/dbraw/zinc/05/52/26/808055226.db2.gz XVWJFAUMIXEFET-CQSZACIVSA-N 2 2 297.443 0.726 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH+]1CCC2(COC(=O)N2)CC1 ZINC001253396420 808056506 /nfs/dbraw/zinc/05/65/06/808056506.db2.gz ZVONVPRFFQVRRK-LLVKDONJSA-N 2 2 285.388 0.310 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CC(=O)N1CCCCC1 ZINC001253403799 808057882 /nfs/dbraw/zinc/05/78/82/808057882.db2.gz KCZGLAUKFOYUMI-LBPRGKRZSA-N 2 2 271.405 0.338 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)[nH]1 ZINC001253410729 808063062 /nfs/dbraw/zinc/06/30/62/808063062.db2.gz RWSNBKLZIPFOBS-NSHDSACASA-N 2 2 283.372 0.640 20 0 CCADLP CCC[N@H+]1C[C@@H]2C[NH+](C[C@@H](O)CC(=O)OCC)C[C@@H]2C1 ZINC001253800038 808146298 /nfs/dbraw/zinc/14/62/98/808146298.db2.gz RZRMPMPRQDQZJB-MJBXVCDLSA-N 2 2 284.400 0.574 20 0 CCADLP CCC[N@@H+]1C[C@@H]2C[NH+](C[C@@H](O)CC(=O)OCC)C[C@@H]2C1 ZINC001253800038 808146302 /nfs/dbraw/zinc/14/63/02/808146302.db2.gz RZRMPMPRQDQZJB-MJBXVCDLSA-N 2 2 284.400 0.574 20 0 CCADLP CCC[NH+]1C[C@@H]2C[N@@H+](C[C@@H](O)CC(=O)OCC)C[C@@H]2C1 ZINC001253800038 808146305 /nfs/dbraw/zinc/14/63/05/808146305.db2.gz RZRMPMPRQDQZJB-MJBXVCDLSA-N 2 2 284.400 0.574 20 0 CCADLP CCC[NH+]1C[C@@H]2C[N@H+](C[C@@H](O)CC(=O)OCC)C[C@@H]2C1 ZINC001253800038 808146310 /nfs/dbraw/zinc/14/63/10/808146310.db2.gz RZRMPMPRQDQZJB-MJBXVCDLSA-N 2 2 284.400 0.574 20 0 CCADLP Cc1[nH+]c2c(n1[C@@H]1CCS(=O)(=O)C1)CC[NH2+]CC2 ZINC001254331586 808212471 /nfs/dbraw/zinc/21/24/71/808212471.db2.gz RAKITLSGNUKDJZ-SNVBAGLBSA-N 2 2 269.370 0.239 20 0 CCADLP C[N@@H+]1CCC[C@@H]([NH+]2Cc3ccnn3CC[C@@H]2CO)CC1 ZINC001254531784 808256648 /nfs/dbraw/zinc/25/66/48/808256648.db2.gz LWYUUXMUMZWRAL-UKRRQHHQSA-N 2 2 278.400 0.934 20 0 CCADLP C[N@H+]1CCC[C@@H]([NH+]2Cc3ccnn3CC[C@@H]2CO)CC1 ZINC001254531784 808256654 /nfs/dbraw/zinc/25/66/54/808256654.db2.gz LWYUUXMUMZWRAL-UKRRQHHQSA-N 2 2 278.400 0.934 20 0 CCADLP C[NH+]1CCC[C@@H]([N@@H+]2Cc3ccnn3CC[C@@H]2CO)CC1 ZINC001254531784 808256661 /nfs/dbraw/zinc/25/66/61/808256661.db2.gz LWYUUXMUMZWRAL-UKRRQHHQSA-N 2 2 278.400 0.934 20 0 CCADLP C[NH+]1CCC[C@@H]([N@H+]2Cc3ccnn3CC[C@@H]2CO)CC1 ZINC001254531784 808256666 /nfs/dbraw/zinc/25/66/66/808256666.db2.gz LWYUUXMUMZWRAL-UKRRQHHQSA-N 2 2 278.400 0.934 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCC[NH+](C)CC2)CCN1C ZINC001254529785 808256905 /nfs/dbraw/zinc/25/69/05/808256905.db2.gz QMBLFNKFWZXQLP-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP COC(=O)[C@@H]1C[N@H+]([C@@H]2CCC[NH+](C)CC2)CCN1C ZINC001254529785 808256911 /nfs/dbraw/zinc/25/69/11/808256911.db2.gz QMBLFNKFWZXQLP-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP COC(=O)[C@@H]1C[NH+]([C@@H]2CCC[N@H+](C)CC2)CCN1C ZINC001254529785 808256918 /nfs/dbraw/zinc/25/69/18/808256918.db2.gz QMBLFNKFWZXQLP-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP COC(=O)[C@@H]1C[NH+]([C@@H]2CCC[N@@H+](C)CC2)CCN1C ZINC001254529785 808256924 /nfs/dbraw/zinc/25/69/24/808256924.db2.gz QMBLFNKFWZXQLP-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP C1OCC1N1CCC[C@@H]([NH2+][C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254839258 808283970 /nfs/dbraw/zinc/28/39/70/808283970.db2.gz OPALTINBSNOKBR-HUUCEWRRSA-N 2 2 279.428 0.924 20 0 CCADLP O=C(NCC[NH2+][C@@H]1CC2CC[NH+](CC2)C1)N1CCOCC1 ZINC001254836344 808284378 /nfs/dbraw/zinc/28/43/78/808284378.db2.gz AAWRRMRPBRXZMA-CQSZACIVSA-N 2 2 296.415 0.102 20 0 CCADLP COCC(=O)N1CCC([NH2+][C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254845666 808286405 /nfs/dbraw/zinc/28/64/05/808286405.db2.gz QSPXJNZZYLZHRJ-HNNXBMFYSA-N 2 2 295.427 0.698 20 0 CCADLP CN1C[C@@H]2C[N@@H+]([C@@H]3CC4CC[NH+](CC4)C3)C[C@@H]2C1=O ZINC001254857748 808288010 /nfs/dbraw/zinc/28/80/10/808288010.db2.gz CHDISLQBEQLBAD-MCIONIFRSA-N 2 2 263.385 0.491 20 0 CCADLP CN1C[C@@H]2C[N@H+]([C@@H]3CC4CC[NH+](CC4)C3)C[C@@H]2C1=O ZINC001254857748 808288014 /nfs/dbraw/zinc/28/80/14/808288014.db2.gz CHDISLQBEQLBAD-MCIONIFRSA-N 2 2 263.385 0.491 20 0 CCADLP O=C1CCC[C@H](C[NH2+][C@@H]2CC3CC[NH+](CC3)C2)N1 ZINC001254852202 808288124 /nfs/dbraw/zinc/28/81/24/808288124.db2.gz RRSUCYCCWCCUTD-CHWSQXEVSA-N 2 2 251.374 0.729 20 0 CCADLP O=C1NCC[C@H]2C[N@@H+]([C@@H]3CC4CC[NH+](CC4)C3)C[C@@H]12 ZINC001254864512 808292364 /nfs/dbraw/zinc/29/23/64/808292364.db2.gz QVUSDWHYRFUPPU-BFHYXJOUSA-N 2 2 263.385 0.539 20 0 CCADLP O=C1NCC[C@H]2C[N@H+]([C@@H]3CC4CC[NH+](CC4)C3)C[C@@H]12 ZINC001254864512 808292371 /nfs/dbraw/zinc/29/23/71/808292371.db2.gz QVUSDWHYRFUPPU-BFHYXJOUSA-N 2 2 263.385 0.539 20 0 CCADLP CN(C[C@H](O)C[NH2+]CCC1CC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001278823883 808294360 /nfs/dbraw/zinc/29/43/60/808294360.db2.gz UASQXOCTLRRMBQ-GFCCVEGCSA-N 2 2 280.372 0.161 20 0 CCADLP COC(=O)[C@@H](C[NH3+])C[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC001255101447 808316220 /nfs/dbraw/zinc/31/62/20/808316220.db2.gz RTESBHFODGHRAT-GJZGRUSLSA-N 2 2 291.395 0.598 20 0 CCADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)N[C@@H]1CCC[N@H+](C)C1 ZINC001255478185 808383939 /nfs/dbraw/zinc/38/39/39/808383939.db2.gz RZFZEGHUSZVVMD-KGLIPLIRSA-N 2 2 294.399 0.578 20 0 CCADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)N[C@@H]1CCC[N@@H+](C)C1 ZINC001255478185 808383948 /nfs/dbraw/zinc/38/39/48/808383948.db2.gz RZFZEGHUSZVVMD-KGLIPLIRSA-N 2 2 294.399 0.578 20 0 CCADLP CCOC(=O)N1CC[C@@H](N2CC[NH+](CCC[NH3+])CC2)C1 ZINC001256019493 808451537 /nfs/dbraw/zinc/45/15/37/808451537.db2.gz ZPHTUDFLUCYARB-CYBMUJFWSA-N 2 2 284.404 0.184 20 0 CCADLP CN(C1CC[NH+](C2CC[NH+](C)CC2)CC1)S(C)(=O)=O ZINC001256208994 808481510 /nfs/dbraw/zinc/48/15/10/808481510.db2.gz PXZXJHMUDHTTFQ-UHFFFAOYSA-N 2 2 289.445 0.436 20 0 CCADLP C[NH+](C)CCC(C)(C)[NH2+]C1CCS(=O)(=O)CC1 ZINC001256378817 808516893 /nfs/dbraw/zinc/51/68/93/808516893.db2.gz DSYHKBKZRXSIRZ-UHFFFAOYSA-N 2 2 262.419 0.884 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](C2CCC([NH+]3CCOCC3)CC2)CCO1 ZINC001256678931 808548459 /nfs/dbraw/zinc/54/84/59/808548459.db2.gz VVJMZAFXFCWFDT-YMAMQOFZSA-N 3 2 283.416 0.289 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](C2CCC([NH+]3CCOCC3)CC2)CCO1 ZINC001256678931 808548464 /nfs/dbraw/zinc/54/84/64/808548464.db2.gz VVJMZAFXFCWFDT-YMAMQOFZSA-N 3 2 283.416 0.289 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2(CO)CC[NH+](C)CC2)C1 ZINC001257045990 808582808 /nfs/dbraw/zinc/58/28/08/808582808.db2.gz FMDUMQDUNPXFMS-OLZOCXBDSA-N 2 2 284.400 0.765 20 0 CCADLP Cc1[nH+]cn(C2CCN(S(C)(=O)=O)CC2)c1CC[NH3+] ZINC001257224409 808600037 /nfs/dbraw/zinc/60/00/37/808600037.db2.gz BRXUJMVAQJLLIQ-UHFFFAOYSA-N 2 2 286.401 0.289 20 0 CCADLP CN(C)C(=O)OCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC001261543941 809014126 /nfs/dbraw/zinc/01/41/26/809014126.db2.gz BIWCJXUZCLCUQO-UHFFFAOYSA-N 2 2 267.333 0.230 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+](C)CN1C[C@@H]2CCO[C@@H]2C1=O ZINC001262050981 809173959 /nfs/dbraw/zinc/17/39/59/809173959.db2.gz ZKBRSNBYUDWQRD-KBPBESRZSA-N 2 2 292.383 0.718 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+](C)CN1C[C@@H]2CCO[C@@H]2C1=O ZINC001262050981 809173960 /nfs/dbraw/zinc/17/39/60/809173960.db2.gz ZKBRSNBYUDWQRD-KBPBESRZSA-N 2 2 292.383 0.718 20 0 CCADLP [NH3+][C@@H](CC(F)F)C[NH+]1CCC2(CCNC2=O)CC1 ZINC001262162397 809212935 /nfs/dbraw/zinc/21/29/35/809212935.db2.gz NHLUTQHOQLJQHF-VIFPVBQESA-N 2 2 261.316 0.571 20 0 CCADLP C[NH2+][C@H](C)CC[NH2+]Cc1ccc(N2CC[NH2+]CC2)o1 ZINC001262487724 809318697 /nfs/dbraw/zinc/31/86/97/809318697.db2.gz CESNVQDOCSGGKV-GFCCVEGCSA-N 3 2 266.389 0.777 20 0 CCADLP CC(C)[N@H+](C)CCC[NH2+]C[C@@H](C)S(C)(=O)=O ZINC001262561632 809343092 /nfs/dbraw/zinc/34/30/92/809343092.db2.gz CDJAFZQHAATFFC-LLVKDONJSA-N 2 2 250.408 0.739 20 0 CCADLP CC(C)[N@@H+](C)CCC[NH2+]C[C@@H](C)S(C)(=O)=O ZINC001262561632 809343096 /nfs/dbraw/zinc/34/30/96/809343096.db2.gz CDJAFZQHAATFFC-LLVKDONJSA-N 2 2 250.408 0.739 20 0 CCADLP CC1(C)C[C@@H]1CNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001262572042 809349543 /nfs/dbraw/zinc/34/95/43/809349543.db2.gz JPNVUGYPQNVHDJ-LLVKDONJSA-N 2 2 268.405 0.755 20 0 CCADLP C/C=C\C[C@H](CO)NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001262592671 809363961 /nfs/dbraw/zinc/36/39/61/809363961.db2.gz YLIPZDLHVXWVHW-XQJDBVBESA-N 2 2 284.404 0.036 20 0 CCADLP CC(C)[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102615603 815285699 /nfs/dbraw/zinc/28/56/99/815285699.db2.gz IIPZJALDUPLWKB-CHWSQXEVSA-N 2 2 264.373 0.976 20 0 CCADLP CC(C)[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102615603 815285704 /nfs/dbraw/zinc/28/57/04/815285704.db2.gz IIPZJALDUPLWKB-CHWSQXEVSA-N 2 2 264.373 0.976 20 0 CCADLP Cc1sc(C[NH3+])nc1C(=O)N1CC[NH+](C)CC1 ZINC001263104046 809445261 /nfs/dbraw/zinc/44/52/61/809445261.db2.gz UOTPWEBNKYAUJO-UHFFFAOYSA-N 2 2 254.359 0.298 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21)Cn1cc[nH+]c1 ZINC001263096518 809441213 /nfs/dbraw/zinc/44/12/13/809441213.db2.gz UNOUVNOZOMYEHF-OFTGVCEQSA-N 2 2 262.357 0.619 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)C2(C3CC3)CC2)CC1 ZINC001263192403 809476708 /nfs/dbraw/zinc/47/67/08/809476708.db2.gz YKAHZWIAIQIFPP-UHFFFAOYSA-N 2 2 251.374 0.716 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC001263194503 809477141 /nfs/dbraw/zinc/47/71/41/809477141.db2.gz MTWGPYYQGMTWDL-GXSJLCMTSA-N 2 2 250.346 0.784 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC001263194503 809477144 /nfs/dbraw/zinc/47/71/44/809477144.db2.gz MTWGPYYQGMTWDL-GXSJLCMTSA-N 2 2 250.346 0.784 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC001263194506 809477866 /nfs/dbraw/zinc/47/78/66/809477866.db2.gz MTWGPYYQGMTWDL-ONGXEEELSA-N 2 2 250.346 0.784 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC001263194506 809477872 /nfs/dbraw/zinc/47/78/72/809477872.db2.gz MTWGPYYQGMTWDL-ONGXEEELSA-N 2 2 250.346 0.784 20 0 CCADLP C[NH+]1CC(C[NH2+]C[C@@H](O)COc2ccccc2)C1 ZINC000379470916 809512396 /nfs/dbraw/zinc/51/23/96/809512396.db2.gz HWWISCQRRKRTDD-CYBMUJFWSA-N 2 2 250.342 0.578 20 0 CCADLP Cc1ccc(OC[C@H](O)C[NH2+]CC2C[NH+](C)C2)cc1 ZINC000379455127 809513135 /nfs/dbraw/zinc/51/31/35/809513135.db2.gz FGJCQZAYQXBSQW-CQSZACIVSA-N 2 2 264.369 0.886 20 0 CCADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CCc1[nH+]ccn1C ZINC001263772371 809568032 /nfs/dbraw/zinc/56/80/32/809568032.db2.gz KMTYVKOSTJCZGV-RYUDHWBXSA-N 2 2 264.373 0.904 20 0 CCADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CCc1[nH+]ccn1C ZINC001263772371 809568038 /nfs/dbraw/zinc/56/80/38/809568038.db2.gz KMTYVKOSTJCZGV-RYUDHWBXSA-N 2 2 264.373 0.904 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000384805727 809614053 /nfs/dbraw/zinc/61/40/53/809614053.db2.gz ZCMYFTFPTSWJAW-UONOGXRCSA-N 2 2 259.353 0.864 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2CC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000384805727 809614057 /nfs/dbraw/zinc/61/40/57/809614057.db2.gz ZCMYFTFPTSWJAW-UONOGXRCSA-N 2 2 259.353 0.864 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](C[NH2+]CCF)C1 ZINC001266020335 809919865 /nfs/dbraw/zinc/91/98/65/809919865.db2.gz GXYWPAVWTUEQET-RYUDHWBXSA-N 2 2 282.363 0.996 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](C[NH2+]CCF)C1 ZINC001266020335 809919868 /nfs/dbraw/zinc/91/98/68/809919868.db2.gz GXYWPAVWTUEQET-RYUDHWBXSA-N 2 2 282.363 0.996 20 0 CCADLP COCC[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266075264 809930899 /nfs/dbraw/zinc/93/08/99/809930899.db2.gz KRUNHNLLEYCYKL-OLZOCXBDSA-N 2 2 294.399 0.924 20 0 CCADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(N)=O ZINC000702614843 809931024 /nfs/dbraw/zinc/93/10/24/809931024.db2.gz NWGGRGNJYFMJGD-WFASDCNBSA-N 2 2 277.368 0.087 20 0 CCADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(N)=O ZINC000702614843 809931029 /nfs/dbraw/zinc/93/10/29/809931029.db2.gz NWGGRGNJYFMJGD-WFASDCNBSA-N 2 2 277.368 0.087 20 0 CCADLP CN(C(=O)Cc1[nH]cc[nH+]1)C1CC([NH2+]CCCF)C1 ZINC001279301337 809974590 /nfs/dbraw/zinc/97/45/90/809974590.db2.gz MDYQHLBOTSNTBG-UHFFFAOYSA-N 2 2 268.336 0.891 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+]CCCF)CCC1 ZINC001280521701 810027661 /nfs/dbraw/zinc/02/76/61/810027661.db2.gz WNABJJVKPHSFMA-UHFFFAOYSA-N 2 2 268.336 0.940 20 0 CCADLP COC(C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)OC ZINC000702553677 811076635 /nfs/dbraw/zinc/07/66/35/811076635.db2.gz NBFHYDQZUDSYRT-MRXNPFEDSA-N 2 2 294.395 0.832 20 0 CCADLP COC(C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)OC ZINC000702553677 811076641 /nfs/dbraw/zinc/07/66/41/811076641.db2.gz NBFHYDQZUDSYRT-MRXNPFEDSA-N 2 2 294.395 0.832 20 0 CCADLP [NH3+][C@H](CC(=O)N1CC[NH+](CC2CC2)CC1)C(F)F ZINC000724753790 811094218 /nfs/dbraw/zinc/09/42/18/811094218.db2.gz ZHQUFBJVNLLWKY-SNVBAGLBSA-N 2 2 261.316 0.523 20 0 CCADLP C[C@H](O)C[NH2+]CCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001267439509 811306454 /nfs/dbraw/zinc/30/64/54/811306454.db2.gz LCUGHUVAFRYEKG-QWRGUYRKSA-N 2 2 268.361 0.017 20 0 CCADLP C[C@H](O)C[NH2+]CCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001267439509 811306462 /nfs/dbraw/zinc/30/64/62/811306462.db2.gz LCUGHUVAFRYEKG-QWRGUYRKSA-N 2 2 268.361 0.017 20 0 CCADLP Cc1nc(NC[C@H](C)N(C)C(=O)[C@@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001104571329 811501415 /nfs/dbraw/zinc/50/14/15/811501415.db2.gz CRZQONSIXWFCKW-WCQYABFASA-N 2 2 291.399 0.996 20 0 CCADLP Cc1nc(NC[C@H](C)N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001104571329 811501424 /nfs/dbraw/zinc/50/14/24/811501424.db2.gz CRZQONSIXWFCKW-WCQYABFASA-N 2 2 291.399 0.996 20 0 CCADLP CCOCCC[NH+]1CC(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267662735 811629984 /nfs/dbraw/zinc/62/99/84/811629984.db2.gz AFISVMLHWOBLAR-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP CC(C)CCOCC[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001267669824 811633013 /nfs/dbraw/zinc/63/30/13/811633013.db2.gz KOYLWXCMZQDXFB-CQSZACIVSA-N 2 2 297.443 0.801 20 0 CCADLP CC(C)CCOCC[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267669824 811633015 /nfs/dbraw/zinc/63/30/15/811633015.db2.gz KOYLWXCMZQDXFB-CQSZACIVSA-N 2 2 297.443 0.801 20 0 CCADLP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001077259153 815469353 /nfs/dbraw/zinc/46/93/53/815469353.db2.gz JEMGZMNYAOZRFM-YNEHKIRRSA-N 2 2 292.383 0.017 20 0 CCADLP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001077259657 815469759 /nfs/dbraw/zinc/46/97/59/815469759.db2.gz YPHAYGSXNSQHAQ-YNEHKIRRSA-N 2 2 292.383 0.017 20 0 CCADLP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])c2ccsc2)C1 ZINC001220156832 811717658 /nfs/dbraw/zinc/71/76/58/811717658.db2.gz MOCPHUGOGGUPTE-QWRGUYRKSA-N 2 2 253.371 0.958 20 0 CCADLP C[N@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])c2ccsc2)C1 ZINC001220156832 811717665 /nfs/dbraw/zinc/71/76/65/811717665.db2.gz MOCPHUGOGGUPTE-QWRGUYRKSA-N 2 2 253.371 0.958 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H](CO)C(F)(F)F)cc1 ZINC001220448130 811731657 /nfs/dbraw/zinc/73/16/57/811731657.db2.gz XVNYBXYVMSPUSK-ZJUUUORDSA-N 2 2 291.273 0.298 20 0 CCADLP CC(C)[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@@H](O)C1 ZINC001083582845 815501816 /nfs/dbraw/zinc/50/18/16/815501816.db2.gz IBOIVXKBZSNDEK-XQQFMLRXSA-N 2 2 292.383 0.015 20 0 CCADLP CC(C)[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@@H](O)C1 ZINC001083582845 815501820 /nfs/dbraw/zinc/50/18/20/815501820.db2.gz IBOIVXKBZSNDEK-XQQFMLRXSA-N 2 2 292.383 0.015 20 0 CCADLP C[C@@H](C[NH2+]CC[C@@H]1CCCO1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001268097891 812254503 /nfs/dbraw/zinc/25/45/03/812254503.db2.gz MGHUHTRLFLBTIY-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925829655 812348614 /nfs/dbraw/zinc/34/86/14/812348614.db2.gz FRPYCWOCPGDIOK-AHDPXTMNSA-N 2 2 266.385 0.934 20 0 CCADLP CO[C@@H](C)C[N@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001268259225 812427332 /nfs/dbraw/zinc/42/73/32/812427332.db2.gz KNWRNZLINMDDAN-LBPRGKRZSA-N 2 2 268.361 0.308 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001268259225 812427337 /nfs/dbraw/zinc/42/73/37/812427337.db2.gz KNWRNZLINMDDAN-LBPRGKRZSA-N 2 2 268.361 0.308 20 0 CCADLP CCN(CC[NH2+]CCCO)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001268460538 812601602 /nfs/dbraw/zinc/60/16/02/812601602.db2.gz VBUPXMBNBOWMJL-ZDUSSCGKSA-N 2 2 294.399 0.266 20 0 CCADLP COC[C@@H](C)[NH2+]C/C=C/CNC(=O)Cn1cc[nH+]c1 ZINC001268632292 812955424 /nfs/dbraw/zinc/95/54/24/812955424.db2.gz GEPLKOHACPXPAV-AAOUONPWSA-N 2 2 266.345 0.180 20 0 CCADLP COC[C@H](C)[NH2+]C/C=C/CNC(=O)Cn1cc[nH+]c1 ZINC001268632294 812955889 /nfs/dbraw/zinc/95/58/89/812955889.db2.gz GEPLKOHACPXPAV-PCAWENJQSA-N 2 2 266.345 0.180 20 0 CCADLP CN(CCC[NH2+]Cc1cccnc1)C(=O)Cc1[nH]cc[nH+]1 ZINC001268893694 813136789 /nfs/dbraw/zinc/13/67/89/813136789.db2.gz DOSWSRMIBFNWPH-UHFFFAOYSA-N 2 2 287.367 0.986 20 0 CCADLP O=C(NC[C@H]1CC[N@@H+](CCO)C1)c1cccc2[nH+]ccn21 ZINC001028686877 813309405 /nfs/dbraw/zinc/30/94/05/813309405.db2.gz FBMPJTAROZXNKO-GFCCVEGCSA-N 2 2 288.351 0.378 20 0 CCADLP O=C(NC[C@H]1CC[N@H+](CCO)C1)c1cccc2[nH+]ccn21 ZINC001028686877 813309414 /nfs/dbraw/zinc/30/94/14/813309414.db2.gz FBMPJTAROZXNKO-GFCCVEGCSA-N 2 2 288.351 0.378 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]Cc1cnns1 ZINC001126441690 813595873 /nfs/dbraw/zinc/59/58/73/813595873.db2.gz ANNWWZPNZURVDB-UHFFFAOYSA-N 2 2 280.357 0.100 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]CC[C@H]1CCOC1 ZINC001126442639 813597169 /nfs/dbraw/zinc/59/71/69/813597169.db2.gz ROUWOUYAWHDSKE-LBPRGKRZSA-N 2 2 280.372 0.475 20 0 CCADLP COCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001038424726 813826470 /nfs/dbraw/zinc/82/64/70/813826470.db2.gz VMFVHWRJYDQPHI-OCCSQVGLSA-N 2 2 292.383 0.282 20 0 CCADLP COCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001038424726 813826480 /nfs/dbraw/zinc/82/64/80/813826480.db2.gz VMFVHWRJYDQPHI-OCCSQVGLSA-N 2 2 292.383 0.282 20 0 CCADLP C[C@@H](O)C[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001167977265 813881969 /nfs/dbraw/zinc/88/19/69/813881969.db2.gz HRCXTVJZNCVVDS-GHMZBOCLSA-N 2 2 268.361 0.065 20 0 CCADLP C[C@@H](O)C[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001167977265 813881981 /nfs/dbraw/zinc/88/19/81/813881981.db2.gz HRCXTVJZNCVVDS-GHMZBOCLSA-N 2 2 268.361 0.065 20 0 CCADLP COCC[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001167978621 813882913 /nfs/dbraw/zinc/88/29/13/813882913.db2.gz NFTQPEINYYBRST-LLVKDONJSA-N 2 2 268.361 0.331 20 0 CCADLP COCC[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001167978621 813882917 /nfs/dbraw/zinc/88/29/17/813882917.db2.gz NFTQPEINYYBRST-LLVKDONJSA-N 2 2 268.361 0.331 20 0 CCADLP COCCC[NH2+]CC[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001280307208 813987409 /nfs/dbraw/zinc/98/74/09/813987409.db2.gz KCJKRTNROJPVAS-AWEZNQCLSA-N 2 2 294.399 0.748 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCF ZINC001029473442 814292870 /nfs/dbraw/zinc/29/28/70/814292870.db2.gz MOMFXDBJXWZCLH-IGQOVBAYSA-N 2 2 283.391 0.829 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCF ZINC001029473442 814292877 /nfs/dbraw/zinc/29/28/77/814292877.db2.gz MOMFXDBJXWZCLH-IGQOVBAYSA-N 2 2 283.391 0.829 20 0 CCADLP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001029473442 814292886 /nfs/dbraw/zinc/29/28/86/814292886.db2.gz MOMFXDBJXWZCLH-IGQOVBAYSA-N 2 2 283.391 0.829 20 0 CCADLP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001029473442 814292894 /nfs/dbraw/zinc/29/28/94/814292894.db2.gz MOMFXDBJXWZCLH-IGQOVBAYSA-N 2 2 283.391 0.829 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCF ZINC001029492706 814312947 /nfs/dbraw/zinc/31/29/47/814312947.db2.gz GPUWKBVHRJQTSC-BETUJISGSA-N 2 2 280.347 0.987 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCF ZINC001029492706 814312957 /nfs/dbraw/zinc/31/29/57/814312957.db2.gz GPUWKBVHRJQTSC-BETUJISGSA-N 2 2 280.347 0.987 20 0 CCADLP CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088121440 814417194 /nfs/dbraw/zinc/41/71/94/814417194.db2.gz GUOUODARUBKNGQ-NEPJUHHUSA-N 2 2 262.357 0.752 20 0 CCADLP CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088121440 814417199 /nfs/dbraw/zinc/41/71/99/814417199.db2.gz GUOUODARUBKNGQ-NEPJUHHUSA-N 2 2 262.357 0.752 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[C@H](C[NH2+]CCCO)C1 ZINC001271701357 814517289 /nfs/dbraw/zinc/51/72/89/814517289.db2.gz XFSZUKQHNIDKQP-WCQYABFASA-N 2 2 294.399 0.327 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](CC[C@@H]2CCCCO2)C1 ZINC001030162723 815855944 /nfs/dbraw/zinc/85/59/44/815855944.db2.gz YSZBWOLQSMGRLD-GJZGRUSLSA-N 2 2 295.427 0.840 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](CC[C@@H]2CCCCO2)C1 ZINC001030162723 815855952 /nfs/dbraw/zinc/85/59/52/815855952.db2.gz YSZBWOLQSMGRLD-GJZGRUSLSA-N 2 2 295.427 0.840 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NC2C[NH+](C[C@H](C)OC)C2)CC[N@@H+]1C ZINC001030338817 815982442 /nfs/dbraw/zinc/98/24/42/815982442.db2.gz AEBWDZPUEGCSTL-FPMFFAJLSA-N 2 2 283.416 0.552 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NC2C[NH+](C[C@H](C)OC)C2)CC[N@H+]1C ZINC001030338817 815982445 /nfs/dbraw/zinc/98/24/45/815982445.db2.gz AEBWDZPUEGCSTL-FPMFFAJLSA-N 2 2 283.416 0.552 20 0 CCADLP CC(C)=CC[NH+]1CC(NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001030346019 815985194 /nfs/dbraw/zinc/98/51/94/815985194.db2.gz OFRQVAXCKDASEN-HUUCEWRRSA-N 2 2 293.411 0.616 20 0 CCADLP CC(C)=CC[NH+]1CC(NC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001030346019 815985199 /nfs/dbraw/zinc/98/51/99/815985199.db2.gz OFRQVAXCKDASEN-HUUCEWRRSA-N 2 2 293.411 0.616 20 0 CCADLP Cc1[nH+]cn(-c2ccc(-n3ccnc3C(N)=[NH2+])nn2)c1C ZINC001168410450 816037401 /nfs/dbraw/zinc/03/74/01/816037401.db2.gz MTHNODJMGCNNTF-UHFFFAOYSA-N 2 2 282.311 0.749 20 0 CCADLP CC[NH+]1CC(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001030520058 816083384 /nfs/dbraw/zinc/08/33/84/816083384.db2.gz SGPXVUPORBQANM-STQMWFEESA-N 2 2 251.374 0.824 20 0 CCADLP CC[NH+]1CC(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001030520058 816083390 /nfs/dbraw/zinc/08/33/90/816083390.db2.gz SGPXVUPORBQANM-STQMWFEESA-N 2 2 251.374 0.824 20 0 CCADLP CC(C)C[NH+]1CC(NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001030533297 816091435 /nfs/dbraw/zinc/09/14/35/816091435.db2.gz KDJYPJXAEJZVAS-CYBMUJFWSA-N 2 2 253.390 0.927 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CC2CC2)C1 ZINC001030534993 816091801 /nfs/dbraw/zinc/09/18/01/816091801.db2.gz JKHKASOOFSBKCG-ZDUSSCGKSA-N 2 2 251.374 0.681 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CC2CC2)C1 ZINC001030534993 816091807 /nfs/dbraw/zinc/09/18/07/816091807.db2.gz JKHKASOOFSBKCG-ZDUSSCGKSA-N 2 2 251.374 0.681 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](C[C@@H]2CCCOC2)C1 ZINC001030535130 816092687 /nfs/dbraw/zinc/09/26/87/816092687.db2.gz KXALPBMLLFBFHT-ZFWWWQNUSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](C[C@@H]2CCCOC2)C1 ZINC001030535130 816092693 /nfs/dbraw/zinc/09/26/93/816092693.db2.gz KXALPBMLLFBFHT-ZFWWWQNUSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H](O)C[NH+]1CC(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001030618988 816152403 /nfs/dbraw/zinc/15/24/03/816152403.db2.gz YXZFCAXSBXVGGV-SNVBAGLBSA-N 2 2 274.324 0.129 20 0 CCADLP CC(C)C[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001030832720 816326781 /nfs/dbraw/zinc/32/67/81/816326781.db2.gz IFEKEMLPURDCJT-AWEZNQCLSA-N 2 2 283.416 0.552 20 0 CCADLP CC(C)C[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001030832720 816326788 /nfs/dbraw/zinc/32/67/88/816326788.db2.gz IFEKEMLPURDCJT-AWEZNQCLSA-N 2 2 283.416 0.552 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001121939474 816492166 /nfs/dbraw/zinc/49/21/66/816492166.db2.gz KBOOEBYEXQXKAK-NTZNESFSSA-N 2 2 262.357 0.799 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001121939474 816492171 /nfs/dbraw/zinc/49/21/71/816492171.db2.gz KBOOEBYEXQXKAK-NTZNESFSSA-N 2 2 262.357 0.799 20 0 CCADLP CC[C@@H](C[NH+]1CC(NC(=O)C[N@@H+]2CCC[C@@H]2C)C1)OC ZINC001030956294 816499423 /nfs/dbraw/zinc/49/94/23/816499423.db2.gz XNRCJYSGELUKKZ-JSGCOSHPSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@@H](C[NH+]1CC(NC(=O)C[N@H+]2CCC[C@@H]2C)C1)OC ZINC001030956294 816499428 /nfs/dbraw/zinc/49/94/28/816499428.db2.gz XNRCJYSGELUKKZ-JSGCOSHPSA-N 2 2 283.416 0.696 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1C[NH+](CC2CC2)C1 ZINC001030977203 816525696 /nfs/dbraw/zinc/52/56/96/816525696.db2.gz INFMKTBRNCAWNY-CHWSQXEVSA-N 2 2 274.368 0.734 20 0 CCADLP CC(C)=CC[NH2+]C[C@@H](O)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001272529612 816554077 /nfs/dbraw/zinc/55/40/77/816554077.db2.gz MDCSSQJGXXHHNP-UONOGXRCSA-N 2 2 294.399 0.867 20 0 CCADLP COC[C@@H](C)[NH2+]CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001127299583 816664899 /nfs/dbraw/zinc/66/48/99/816664899.db2.gz UDFDCBJUWIPJIE-LLVKDONJSA-N 2 2 290.367 0.997 20 0 CCADLP C[N@@H+]1CC[C@@H](CC(=O)NC2C[NH+](C[C@@H]3CCCCO3)C2)C1 ZINC001031260554 816911074 /nfs/dbraw/zinc/91/10/74/816911074.db2.gz QWQYEVBYLXVNPA-ZFWWWQNUSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CC[C@@H](CC(=O)NC2C[NH+](C[C@@H]3CCCCO3)C2)C1 ZINC001031260554 816911077 /nfs/dbraw/zinc/91/10/77/816911077.db2.gz QWQYEVBYLXVNPA-ZFWWWQNUSA-N 2 2 295.427 0.698 20 0 CCADLP CC(C)=CC[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001031382317 817017434 /nfs/dbraw/zinc/01/74/34/817017434.db2.gz PNPLSULPYFTROV-GFCCVEGCSA-N 2 2 251.374 0.705 20 0 CCADLP CC(C)=CC[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001031382317 817017442 /nfs/dbraw/zinc/01/74/42/817017442.db2.gz PNPLSULPYFTROV-GFCCVEGCSA-N 2 2 251.374 0.705 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)NC2C[NH+](CCOC3CCC3)C2)C1 ZINC001031382048 817017503 /nfs/dbraw/zinc/01/75/03/817017503.db2.gz GWTVSNYMPNHMPC-LBPRGKRZSA-N 2 2 281.400 0.308 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)NC2C[NH+](CCOC3CCC3)C2)C1 ZINC001031382048 817017510 /nfs/dbraw/zinc/01/75/10/817017510.db2.gz GWTVSNYMPNHMPC-LBPRGKRZSA-N 2 2 281.400 0.308 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC1C[NH+](CCCF)C1 ZINC001031392141 817025482 /nfs/dbraw/zinc/02/54/82/817025482.db2.gz XUKXCXAYOYKUIS-UHFFFAOYSA-N 2 2 254.309 0.352 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC1C[NH+](CC(C)C)C1 ZINC001031390823 817025835 /nfs/dbraw/zinc/02/58/35/817025835.db2.gz XEOPUUJWRCIOQV-UHFFFAOYSA-N 2 2 250.346 0.648 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001031666264 817230084 /nfs/dbraw/zinc/23/00/84/817230084.db2.gz LUVOGQDBRUPLDV-CYBMUJFWSA-N 2 2 271.380 0.877 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001031666264 817230087 /nfs/dbraw/zinc/23/00/87/817230087.db2.gz LUVOGQDBRUPLDV-CYBMUJFWSA-N 2 2 271.380 0.877 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](CC2C[C@H](C)O[C@@H](C)C2)C[C@H]1[NH3+] ZINC001236340910 817268362 /nfs/dbraw/zinc/26/83/62/817268362.db2.gz KDCGBXQAFFQLKH-YRRQLQLVSA-N 2 2 270.373 0.622 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](CC2C[C@H](C)O[C@@H](C)C2)C[C@H]1[NH3+] ZINC001236340910 817268366 /nfs/dbraw/zinc/26/83/66/817268366.db2.gz KDCGBXQAFFQLKH-YRRQLQLVSA-N 2 2 270.373 0.622 20 0 CCADLP COc1cccc(C[NH+]2CCN(CC[NH+](C)C)CC2)n1 ZINC001137527590 817331301 /nfs/dbraw/zinc/33/13/01/817331301.db2.gz HJXOQSDAVQOTRF-UHFFFAOYSA-N 2 2 278.400 0.769 20 0 CCADLP O=C(NCC1C[NH+](CCCF)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001031784182 817364928 /nfs/dbraw/zinc/36/49/28/817364928.db2.gz MMGBUJRHFDSYEG-CYBMUJFWSA-N 2 2 294.374 0.853 20 0 CCADLP CC[NH+]1CC(CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001031788084 817367415 /nfs/dbraw/zinc/36/74/15/817367415.db2.gz GWECYDWIZWAISV-LBPRGKRZSA-N 2 2 276.384 0.891 20 0 CCADLP CC[NH+]1CC(CNC(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001031788084 817367424 /nfs/dbraw/zinc/36/74/24/817367424.db2.gz GWECYDWIZWAISV-LBPRGKRZSA-N 2 2 276.384 0.891 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000353673023 817420932 /nfs/dbraw/zinc/42/09/32/817420932.db2.gz OLQGVUDGFOCGCG-AAEUAGOBSA-N 2 2 250.346 0.443 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000353673023 817420939 /nfs/dbraw/zinc/42/09/39/817420939.db2.gz OLQGVUDGFOCGCG-AAEUAGOBSA-N 2 2 250.346 0.443 20 0 CCADLP CCc1noc([C@H](C)[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001124867099 817605171 /nfs/dbraw/zinc/60/51/71/817605171.db2.gz RUKXUAWCWBADLO-WDEREUQCSA-N 2 2 295.387 0.493 20 0 CCADLP CCc1noc([C@H](C)[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001124867099 817605178 /nfs/dbraw/zinc/60/51/78/817605178.db2.gz RUKXUAWCWBADLO-WDEREUQCSA-N 2 2 295.387 0.493 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1C[C@@H]([NH2+]CCCO)C12CCC2 ZINC001203531233 817731648 /nfs/dbraw/zinc/73/16/48/817731648.db2.gz QNYZGRUNAYINLF-VXGBXAGGSA-N 2 2 292.383 0.352 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)NCC[NH2+]CCF ZINC001127785219 817869746 /nfs/dbraw/zinc/86/97/46/817869746.db2.gz GVOFVANVZNZFAR-UHFFFAOYSA-N 2 2 268.336 0.437 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]([NH2+]CCF)C12CCC2 ZINC001078782540 818052154 /nfs/dbraw/zinc/05/21/54/818052154.db2.gz BMQDWLXZTCPHHB-STQMWFEESA-N 2 2 294.374 0.949 20 0 CCADLP COc1cc(NC(=[NH2+])N2CC[NH+](C)CC2)ncc1F ZINC001168735885 818539256 /nfs/dbraw/zinc/53/92/56/818539256.db2.gz VJOHFGYQHRHMJJ-UHFFFAOYSA-N 2 2 267.308 0.823 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2nccc3nccnc32)CC1 ZINC001168735973 818541127 /nfs/dbraw/zinc/54/11/27/818541127.db2.gz HIPUCQJMLRHFIT-UHFFFAOYSA-N 2 2 271.328 0.619 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cnc(OCC3CC3)nc2)CC1 ZINC001168740432 818602728 /nfs/dbraw/zinc/60/27/28/818602728.db2.gz JFODGXHVFCRKPE-UHFFFAOYSA-N 2 2 290.371 0.859 20 0 CCADLP CC(C)Oc1cnc(NC(=[NH2+])N2CC[NH+](C)CC2)cn1 ZINC001168740902 818609285 /nfs/dbraw/zinc/60/92/85/818609285.db2.gz RJFGGLVVHDWECK-UHFFFAOYSA-N 2 2 278.360 0.858 20 0 CCADLP Cc1nc2c[nH]cc(NC(=[NH2+])N3CC[NH+](C)CC3)c-2n1 ZINC001168741307 818611431 /nfs/dbraw/zinc/61/14/31/818611431.db2.gz WTCQHNYRBFRXQM-UHFFFAOYSA-N 2 2 273.344 0.860 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+](C)C[C@H]1CO)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000700614120 818821773 /nfs/dbraw/zinc/82/17/73/818821773.db2.gz JADAWMKICDLLID-CRWXNKLISA-N 2 2 283.416 0.383 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+](C)C[C@H]1CO)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000700614120 818821784 /nfs/dbraw/zinc/82/17/84/818821784.db2.gz JADAWMKICDLLID-CRWXNKLISA-N 2 2 283.416 0.383 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1CO)[NH+]1[C@H](C)CC[C@@H]1C ZINC000700614120 818821786 /nfs/dbraw/zinc/82/17/86/818821786.db2.gz JADAWMKICDLLID-CRWXNKLISA-N 2 2 283.416 0.383 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1CO)[NH+]1[C@H](C)CC[C@@H]1C ZINC000700614120 818821796 /nfs/dbraw/zinc/82/17/96/818821796.db2.gz JADAWMKICDLLID-CRWXNKLISA-N 2 2 283.416 0.383 20 0 CCADLP CC[N@@H+]1CCCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034489545 819221290 /nfs/dbraw/zinc/22/12/90/819221290.db2.gz GEKQAZRAHDQEIH-LBPRGKRZSA-N 2 2 264.373 0.953 20 0 CCADLP CC[N@H+]1CCCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034489545 819221298 /nfs/dbraw/zinc/22/12/98/819221298.db2.gz GEKQAZRAHDQEIH-LBPRGKRZSA-N 2 2 264.373 0.953 20 0 CCADLP C[C@@H]1CC[C@H](C[NH2+]CCNC(=O)CCc2c[nH]c[nH+]2)O1 ZINC001128967267 819236712 /nfs/dbraw/zinc/23/67/12/819236712.db2.gz IXVATMLQSHYWSI-DGCLKSJQSA-N 2 2 280.372 0.616 20 0 CCADLP C[C@@H]1CC[C@H](C[NH2+]CCNC(=O)CCc2c[nH+]c[nH]2)O1 ZINC001128967267 819236719 /nfs/dbraw/zinc/23/67/19/819236719.db2.gz IXVATMLQSHYWSI-DGCLKSJQSA-N 2 2 280.372 0.616 20 0 CCADLP CC[NH2+]C[C@H]1CCCN1C(=O)CCc1[nH+]ccn1C ZINC001035003044 819374516 /nfs/dbraw/zinc/37/45/16/819374516.db2.gz TYIFEQXLLHRGOS-GFCCVEGCSA-N 2 2 264.373 0.953 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](O)C1 ZINC001090356933 820293623 /nfs/dbraw/zinc/29/36/23/820293623.db2.gz ZRKGKUZJINDJKH-STQMWFEESA-N 2 2 294.399 0.498 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](O)C1 ZINC001090356933 820293631 /nfs/dbraw/zinc/29/36/31/820293631.db2.gz ZRKGKUZJINDJKH-STQMWFEESA-N 2 2 294.399 0.498 20 0 CCADLP O=C(N[C@H]1Cc2c[nH+]cn2C1)C12CCC[NH+]1CCC2 ZINC001118792534 820905308 /nfs/dbraw/zinc/90/53/08/820905308.db2.gz CWYYHTGKAMBXHK-NSHDSACASA-N 2 2 260.341 0.552 20 0 CCADLP CCC[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](OC)C1 ZINC001082347833 820941512 /nfs/dbraw/zinc/94/15/12/820941512.db2.gz WGIOCYSFVSNVLC-CHWSQXEVSA-N 2 2 280.372 0.486 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1[NH2+]CCF ZINC001082604332 821005090 /nfs/dbraw/zinc/00/50/90/821005090.db2.gz LRFDQPNLIYOJMN-JHJVBQTASA-N 2 2 294.374 0.852 20 0 CCADLP [NH3+][C@H](c1cn(CCn2cc[nH+]c2)nn1)[C@H]1CCCO1 ZINC001119279720 821072446 /nfs/dbraw/zinc/07/24/46/821072446.db2.gz KMCZLIJDDYLAFG-VXGBXAGGSA-N 2 2 262.317 0.354 20 0 CCADLP Cc1c[nH+]c(N2CCO[C@@H](C[NH3+])C2)nc1N1CCCC1 ZINC001166938132 821347693 /nfs/dbraw/zinc/34/76/93/821347693.db2.gz PWVDBTDHOSWIEE-LBPRGKRZSA-N 2 2 277.372 0.549 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001084687722 821350107 /nfs/dbraw/zinc/35/01/07/821350107.db2.gz QXJJREDDJHIFCN-OUCADQQQSA-N 2 2 292.383 0.520 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001084687722 821350113 /nfs/dbraw/zinc/35/01/13/821350113.db2.gz QXJJREDDJHIFCN-OUCADQQQSA-N 2 2 292.383 0.520 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001084687567 821351325 /nfs/dbraw/zinc/35/13/25/821351325.db2.gz JCRHBYKZQWGONF-DGCLKSJQSA-N 2 2 262.357 0.893 20 0 CCADLP CC(C)[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001084687567 821351335 /nfs/dbraw/zinc/35/13/35/821351335.db2.gz JCRHBYKZQWGONF-DGCLKSJQSA-N 2 2 262.357 0.893 20 0 CCADLP CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001085680454 821893997 /nfs/dbraw/zinc/89/39/97/821893997.db2.gz GZEBEZKRWXJSCC-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001085680454 821894000 /nfs/dbraw/zinc/89/40/00/821894000.db2.gz GZEBEZKRWXJSCC-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP O=C(C[NH+]1CCC1)N1CC[C@H]2C[N@H+](Cc3ccc[nH]3)C[C@H]21 ZINC001273363580 821959575 /nfs/dbraw/zinc/95/95/75/821959575.db2.gz NOQSBRBASOESIN-DZGCQCFKSA-N 2 2 288.395 0.753 20 0 CCADLP O=C(C[NH+]1CCC1)N1CC[C@H]2C[N@@H+](Cc3ccc[nH]3)C[C@H]21 ZINC001273363580 821959582 /nfs/dbraw/zinc/95/95/82/821959582.db2.gz NOQSBRBASOESIN-DZGCQCFKSA-N 2 2 288.395 0.753 20 0 CCADLP O=C(NC[C@H]1C[C@@H]([NH2+]CCF)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001086126252 822121291 /nfs/dbraw/zinc/12/12/91/822121291.db2.gz WEADUAZMAVFRQR-UPJWGTAASA-N 2 2 294.374 0.899 20 0 CCADLP CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001086124321 822121478 /nfs/dbraw/zinc/12/14/78/822121478.db2.gz NNJHOBCFECHOCV-RWMBFGLXSA-N 2 2 276.384 0.950 20 0 CCADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000186823208 822121851 /nfs/dbraw/zinc/12/18/51/822121851.db2.gz SVDKDXPRLWFLHA-HUUCEWRRSA-N 2 2 297.443 0.774 20 0 CCADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000186823208 822121855 /nfs/dbraw/zinc/12/18/55/822121855.db2.gz SVDKDXPRLWFLHA-HUUCEWRRSA-N 2 2 297.443 0.774 20 0 CCADLP O=C(NC[C@H]1C[C@@H]([NH2+]CCO)C1)c1cccc2[nH+]ccn21 ZINC001086147588 822128783 /nfs/dbraw/zinc/12/87/83/822128783.db2.gz QCCWOILESALZQK-TXEJJXNPSA-N 2 2 288.351 0.425 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1[C@H]2C[N@@H+](CCCF)C[C@H]21 ZINC001114206327 837471861 /nfs/dbraw/zinc/47/18/61/837471861.db2.gz IZVRWDZBPVEYEX-YABSGUDNSA-N 2 2 280.347 0.748 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1[C@H]2C[N@H+](CCCF)C[C@H]21 ZINC001114206327 837471866 /nfs/dbraw/zinc/47/18/66/837471866.db2.gz IZVRWDZBPVEYEX-YABSGUDNSA-N 2 2 280.347 0.748 20 0 CCADLP O=C(NCC[NH2+]C[C@H]1CCCOC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129891226 837576116 /nfs/dbraw/zinc/57/61/16/837576116.db2.gz FRGFGYNBCIVNMZ-JHJVBQTASA-N 2 2 292.383 0.646 20 0 CCADLP O=C(NCC[NH2+]C[C@H]1CCCOC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129891226 837576120 /nfs/dbraw/zinc/57/61/20/837576120.db2.gz FRGFGYNBCIVNMZ-JHJVBQTASA-N 2 2 292.383 0.646 20 0 CCADLP Cc1ccnc(C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C)n1 ZINC001129947136 837597072 /nfs/dbraw/zinc/59/70/72/837597072.db2.gz LHYGANXHGIXPAB-AWEZNQCLSA-N 2 2 293.415 0.577 20 0 CCADLP C[C@]1(F)CCCCN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)C1 ZINC001157915004 837695597 /nfs/dbraw/zinc/69/55/97/837695597.db2.gz ONQMDJGFNWSVNT-KWCYVHTRSA-N 2 2 269.364 0.679 20 0 CCADLP C[C@]1(F)CCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C[C@@H]1F ZINC001157923231 837708642 /nfs/dbraw/zinc/70/86/42/837708642.db2.gz BLOYIHGQSPOFQY-URBCHYCLSA-N 2 2 273.327 0.237 20 0 CCADLP O=C(NCC[NH2+]Cc1cnon1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001130190216 837720286 /nfs/dbraw/zinc/72/02/86/837720286.db2.gz XMKQFPXEDHYWJN-OLZOCXBDSA-N 2 2 293.371 0.292 20 0 CCADLP O=C(NCC[NH2+]Cc1cnon1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130190216 837720291 /nfs/dbraw/zinc/72/02/91/837720291.db2.gz XMKQFPXEDHYWJN-OLZOCXBDSA-N 2 2 293.371 0.292 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)[C@@H](CC)[NH+](C)C)o1 ZINC001130197515 837722399 /nfs/dbraw/zinc/72/23/99/837722399.db2.gz KDPJMMLAHZGBAK-GFCCVEGCSA-N 2 2 282.388 0.783 20 0 CCADLP Cc1ccnc(C[NH2+]CCNC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001130297754 837755358 /nfs/dbraw/zinc/75/53/58/837755358.db2.gz QQQBARAHEBGWMA-ZDUSSCGKSA-N 2 2 291.399 0.475 20 0 CCADLP Cc1ccnc(C[NH2+]CCNC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC001130297754 837755365 /nfs/dbraw/zinc/75/53/65/837755365.db2.gz QQQBARAHEBGWMA-ZDUSSCGKSA-N 2 2 291.399 0.475 20 0 CCADLP CCC[NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130407168 837786188 /nfs/dbraw/zinc/78/61/88/837786188.db2.gz KRYPMGFHVRCRQE-NSHDSACASA-N 2 2 250.346 0.561 20 0 CCADLP CC[C@H](F)C[NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130404902 837786501 /nfs/dbraw/zinc/78/65/01/837786501.db2.gz RTBBXDBDOCIQAE-RYUDHWBXSA-N 2 2 282.363 0.899 20 0 CCADLP CCOCC[NH2+]CCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001130491547 837803705 /nfs/dbraw/zinc/80/37/05/837803705.db2.gz VXBZUFOTPBGBSM-LBPRGKRZSA-N 2 2 294.399 0.565 20 0 CCADLP CCOCC[NH2+]CCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001130491547 837803721 /nfs/dbraw/zinc/80/37/21/837803721.db2.gz VXBZUFOTPBGBSM-LBPRGKRZSA-N 2 2 294.399 0.565 20 0 CCADLP O=C(NCC[NH2+]C/C=C/Cl)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130480985 837804072 /nfs/dbraw/zinc/80/40/72/837804072.db2.gz IATITWNPLSIACJ-CLUFZFBRSA-N 2 2 282.775 0.904 20 0 CCADLP CC[C@@H](F)C[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130484504 837807367 /nfs/dbraw/zinc/80/73/67/837807367.db2.gz OZNRQUKTCYIAHT-VXGBXAGGSA-N 2 2 282.363 0.899 20 0 CCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC[NH2+]CCCF)C2 ZINC001130490730 837811608 /nfs/dbraw/zinc/81/16/08/837811608.db2.gz HEDMUIOLNYHAFA-NSHDSACASA-N 2 2 282.363 0.888 20 0 CCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC[NH2+]CCCF)CC2 ZINC001130490730 837811620 /nfs/dbraw/zinc/81/16/20/837811620.db2.gz HEDMUIOLNYHAFA-NSHDSACASA-N 2 2 282.363 0.888 20 0 CCADLP C[C@H]([NH3+])c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cn1 ZINC001169076843 836118635 /nfs/dbraw/zinc/11/86/35/836118635.db2.gz ZPDNJZBGAKJSOL-VHSXEESVSA-N 3 2 261.329 0.149 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncnc2occc21 ZINC001169067332 836122442 /nfs/dbraw/zinc/12/24/42/836122442.db2.gz PYHWSPXEBUXLRC-MRVPVSSYSA-N 2 2 259.269 0.271 20 0 CCADLP Cc1cc(Cl)nnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169067444 836124008 /nfs/dbraw/zinc/12/40/08/836124008.db2.gz SYBBJOZUZNNUQY-MRVPVSSYSA-N 2 2 267.720 0.486 20 0 CCADLP Cc1nc2ncc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)nc2s1 ZINC001169072433 836125776 /nfs/dbraw/zinc/12/57/76/836125776.db2.gz RZQQQMPUXHKOIO-MRVPVSSYSA-N 2 2 290.352 0.443 20 0 CCADLP CC(C)c1nccnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169071406 836125856 /nfs/dbraw/zinc/12/58/56/836125856.db2.gz CFRACTIKSQNQCX-SNVBAGLBSA-N 2 2 261.329 0.648 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cnc(Cl)cn1 ZINC001169074602 836128600 /nfs/dbraw/zinc/12/86/00/836128600.db2.gz UBKLCFIMVKALCA-SSDOTTSWSA-N 2 2 253.693 0.178 20 0 CCADLP COc1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c(F)cn1 ZINC001169075703 836129176 /nfs/dbraw/zinc/12/91/76/836129176.db2.gz VRIAEKUJVIRBGO-MRVPVSSYSA-N 2 2 266.276 0.277 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C2 ZINC001169100977 836133127 /nfs/dbraw/zinc/13/31/27/836133127.db2.gz NMSMZXOPBFUSDG-QDMKHBRRSA-N 3 2 294.443 0.365 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C2 ZINC001169100977 836133129 /nfs/dbraw/zinc/13/31/29/836133129.db2.gz NMSMZXOPBFUSDG-QDMKHBRRSA-N 3 2 294.443 0.365 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCc3nncn3CC1)C2 ZINC001169130907 836147010 /nfs/dbraw/zinc/14/70/10/836147010.db2.gz PULYPEYVKDUDPY-CLLJXQQHSA-N 2 2 261.373 0.761 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCc3nncn3CC1)C2 ZINC001169130907 836147016 /nfs/dbraw/zinc/14/70/16/836147016.db2.gz PULYPEYVKDUDPY-CLLJXQQHSA-N 2 2 261.373 0.761 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCc3nncn3CC1)C2 ZINC001169130907 836147017 /nfs/dbraw/zinc/14/70/17/836147017.db2.gz PULYPEYVKDUDPY-CLLJXQQHSA-N 2 2 261.373 0.761 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCc3nncn3CC1)C2 ZINC001169130907 836147022 /nfs/dbraw/zinc/14/70/22/836147022.db2.gz PULYPEYVKDUDPY-CLLJXQQHSA-N 2 2 261.373 0.761 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN3C(=O)COC[C@@H]3C1)C2 ZINC001169155570 836154968 /nfs/dbraw/zinc/15/49/68/836154968.db2.gz RLRAGULZVGMBRV-CRWXNKLISA-N 2 2 279.384 0.155 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN3C(=O)COC[C@@H]3C1)C2 ZINC001169155570 836154975 /nfs/dbraw/zinc/15/49/75/836154975.db2.gz RLRAGULZVGMBRV-CRWXNKLISA-N 2 2 279.384 0.155 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCN3C(=O)COC[C@@H]3C1)C2 ZINC001169155570 836154979 /nfs/dbraw/zinc/15/49/79/836154979.db2.gz RLRAGULZVGMBRV-CRWXNKLISA-N 2 2 279.384 0.155 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCN3C(=O)COC[C@@H]3C1)C2 ZINC001169155570 836154985 /nfs/dbraw/zinc/15/49/85/836154985.db2.gz RLRAGULZVGMBRV-CRWXNKLISA-N 2 2 279.384 0.155 20 0 CCADLP CC[NH+]1CCC([NH2+]CCN2CCC[C@H](O)C2)CC1 ZINC001169233557 836166676 /nfs/dbraw/zinc/16/66/76/836166676.db2.gz UDDAFJPZZSOEFK-AWEZNQCLSA-N 2 2 255.406 0.517 20 0 CCADLP CC(=O)N1CC[C@H]([NH+]2C[C@H]3CCC[N@@H+](C)[C@H]3C2)C1 ZINC001169564503 836354632 /nfs/dbraw/zinc/35/46/32/836354632.db2.gz XTDNJOCHFFRFCB-RDBSUJKOSA-N 2 2 251.374 0.633 20 0 CCADLP CC(=O)N1CC[C@H]([NH+]2C[C@H]3CCC[N@H+](C)[C@H]3C2)C1 ZINC001169564503 836354641 /nfs/dbraw/zinc/35/46/41/836354641.db2.gz XTDNJOCHFFRFCB-RDBSUJKOSA-N 2 2 251.374 0.633 20 0 CCADLP CC(=O)N1CC[C@H]([N@@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)C1 ZINC001169564503 836354650 /nfs/dbraw/zinc/35/46/50/836354650.db2.gz XTDNJOCHFFRFCB-RDBSUJKOSA-N 2 2 251.374 0.633 20 0 CCADLP CC(=O)N1CC[C@H]([N@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)C1 ZINC001169564503 836354658 /nfs/dbraw/zinc/35/46/58/836354658.db2.gz XTDNJOCHFFRFCB-RDBSUJKOSA-N 2 2 251.374 0.633 20 0 CCADLP Cc1cc(NC[C@@H]2COCC[N@H+]2C)nc2c1C[NH2+]CC2 ZINC001169650235 836403606 /nfs/dbraw/zinc/40/36/06/836403606.db2.gz XDSILNFMTOWBTR-GFCCVEGCSA-N 2 2 276.384 0.778 20 0 CCADLP Cc1cc(NC[C@@H]2COCC[N@@H+]2C)nc2c1C[NH2+]CC2 ZINC001169650235 836403611 /nfs/dbraw/zinc/40/36/11/836403611.db2.gz XDSILNFMTOWBTR-GFCCVEGCSA-N 2 2 276.384 0.778 20 0 CCADLP Nc1cc(CNc2ncc3c(n2)CC[NH2+]C3)cc[nH+]1 ZINC001156755480 836692065 /nfs/dbraw/zinc/69/20/65/836692065.db2.gz CEFWQNONAUJNOI-UHFFFAOYSA-N 2 2 256.313 0.712 20 0 CCADLP CCCCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001112740091 836893844 /nfs/dbraw/zinc/89/38/44/836893844.db2.gz WFXOVSKDHWCWPY-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP CCCCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001112740091 836893850 /nfs/dbraw/zinc/89/38/50/836893850.db2.gz WFXOVSKDHWCWPY-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP CC[NH+](CC)C[C@H](F)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC001112910271 836961346 /nfs/dbraw/zinc/96/13/46/836961346.db2.gz FIAYPSQORFDQHT-OLZOCXBDSA-N 2 2 289.395 0.191 20 0 CCADLP CC[N@@H+](C)C(C)(C)C(=O)N1CC[NH+](CCOC)CC1 ZINC001113033038 837005190 /nfs/dbraw/zinc/00/51/90/837005190.db2.gz WJYAUGLNDFVNKE-UHFFFAOYSA-N 2 2 271.405 0.507 20 0 CCADLP CC[C@@H]1C[C@@H]([NH2+]C2(CO)CC[NH+](C)CC2)CCO1 ZINC001170203966 837262595 /nfs/dbraw/zinc/26/25/95/837262595.db2.gz NSTAUUSFUUEQCH-QWHCGFSZSA-N 2 2 256.390 0.990 20 0 CCADLP Cc1[nH+]ccn1-c1cc(NCC2C[NH+](C)C2)ncn1 ZINC001170251847 837284180 /nfs/dbraw/zinc/28/41/80/837284180.db2.gz DEKVMMSNQWBCDZ-UHFFFAOYSA-N 2 2 258.329 0.944 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2[C@H](CC2(F)F)C1 ZINC001158192832 837968824 /nfs/dbraw/zinc/96/88/24/837968824.db2.gz GQOSXDQPWDLJNE-FKTZTGRPSA-N 2 2 270.283 0.393 20 0 CCADLP CCOc1nccnc1N1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158269248 838013687 /nfs/dbraw/zinc/01/36/87/838013687.db2.gz OVEDGMJGKUPFCY-LBPRGKRZSA-N 2 2 291.399 0.877 20 0 CCADLP CCOc1nccnc1N1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158269248 838013690 /nfs/dbraw/zinc/01/36/90/838013690.db2.gz OVEDGMJGKUPFCY-LBPRGKRZSA-N 2 2 291.399 0.877 20 0 CCADLP C[C@@H](Nc1[nH+]cnc2[nH]cc(F)c21)[C@H]1C[NH2+]CCO1 ZINC001170558859 838077221 /nfs/dbraw/zinc/07/72/21/838077221.db2.gz RSNYIRFNJVQZLD-VXNVDRBHSA-N 2 2 265.292 0.886 20 0 CCADLP C[C@@H](Nc1cc(N2CCCC2)nc[nH+]1)[C@H]1C[NH2+]CCO1 ZINC001170563614 838112943 /nfs/dbraw/zinc/11/29/43/838112943.db2.gz MSJUDURQWJZKLG-VXGBXAGGSA-N 2 2 277.372 0.866 20 0 CCADLP C[C@@H](Nc1cc(N2CCCC2)[nH+]cn1)[C@H]1C[NH2+]CCO1 ZINC001170563614 838112953 /nfs/dbraw/zinc/11/29/53/838112953.db2.gz MSJUDURQWJZKLG-VXGBXAGGSA-N 2 2 277.372 0.866 20 0 CCADLP COC(=O)c1c(OC)cc[nH+]c1N[C@@H](C)[C@@H]1C[NH2+]CCO1 ZINC001170564657 838117232 /nfs/dbraw/zinc/11/72/32/838117232.db2.gz QYQIJAPIPZCVHZ-ONGXEEELSA-N 2 2 295.339 0.666 20 0 CCADLP CC[C@H](C[NH2+]CCNC(=O)CCc1[nH+]ccn1C)OC ZINC001131652898 838167188 /nfs/dbraw/zinc/16/71/88/838167188.db2.gz MVWLRNRGGWYUJE-GFCCVEGCSA-N 2 2 282.388 0.484 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)C1(C[NH+](C)C)CC1)c1csnn1 ZINC001132994798 838533113 /nfs/dbraw/zinc/53/31/13/838533113.db2.gz BZJXPYATCXBYMF-JTQLQIEISA-N 2 2 297.428 0.647 20 0 CCADLP Cc1ccnc(C[NH2+]CCNC(=O)C2CC[NH+](C)CC2)n1 ZINC001133285906 838587926 /nfs/dbraw/zinc/58/79/26/838587926.db2.gz NVEFICGACIPNBG-UHFFFAOYSA-N 2 2 291.399 0.333 20 0 CCADLP CCc1noc([C@@H](C)[NH2+]CCNC(=O)CC[NH+](C)C)n1 ZINC001133294432 838590848 /nfs/dbraw/zinc/59/08/48/838590848.db2.gz IOXIPYVQOZVWBX-SNVBAGLBSA-N 2 2 283.376 0.351 20 0 CCADLP C[NH+](C)CCC(=O)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001133294514 838592714 /nfs/dbraw/zinc/59/27/14/838592714.db2.gz LWANLASXKOFWHC-UHFFFAOYSA-N 2 2 281.360 0.105 20 0 CCADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C[NH2+]CCF ZINC001185205283 844362344 /nfs/dbraw/zinc/36/23/44/844362344.db2.gz NMZVRUAQYCOJCL-NWDGAFQWSA-N 2 2 282.363 0.996 20 0 CCADLP CCc1noc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)n1 ZINC001133864177 838756478 /nfs/dbraw/zinc/75/64/78/838756478.db2.gz WLRXUWHEVDXNMH-GHMZBOCLSA-N 2 2 295.387 0.036 20 0 CCADLP CCc1noc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)n1 ZINC001133864177 838756483 /nfs/dbraw/zinc/75/64/83/838756483.db2.gz WLRXUWHEVDXNMH-GHMZBOCLSA-N 2 2 295.387 0.036 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001185258095 844382512 /nfs/dbraw/zinc/38/25/12/844382512.db2.gz PVHMXQGJTZJSAZ-QWHCGFSZSA-N 2 2 291.399 0.362 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001185258095 844382521 /nfs/dbraw/zinc/38/25/21/844382521.db2.gz PVHMXQGJTZJSAZ-QWHCGFSZSA-N 2 2 291.399 0.362 20 0 CCADLP Cc1cncc(C[NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001134406857 838962379 /nfs/dbraw/zinc/96/23/79/838962379.db2.gz FKVAMYXYNYICMH-UHFFFAOYSA-N 2 2 273.340 0.562 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C(=O)N(C(N)=[NH2+])c1ccccc1F ZINC001185261259 844385558 /nfs/dbraw/zinc/38/55/58/844385558.db2.gz CHSURDHIEGVSOZ-GFCCVEGCSA-N 2 2 293.346 0.298 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C(=O)N(C(N)=[NH2+])c1ccccc1F ZINC001185261259 844385571 /nfs/dbraw/zinc/38/55/71/844385571.db2.gz CHSURDHIEGVSOZ-GFCCVEGCSA-N 2 2 293.346 0.298 20 0 CCADLP C[C@H](CC(=O)NCC[NH2+]Cc1cnn(C)c1)n1cc[nH+]c1 ZINC001134499091 838994116 /nfs/dbraw/zinc/99/41/16/838994116.db2.gz WFYBENQIYCXMKP-GFCCVEGCSA-N 2 2 290.371 0.474 20 0 CCADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001134767273 839066757 /nfs/dbraw/zinc/06/67/57/839066757.db2.gz UYNLOEXPQMWQRD-CYBMUJFWSA-N 2 2 295.387 0.538 20 0 CCADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001134767273 839066765 /nfs/dbraw/zinc/06/67/65/839066765.db2.gz UYNLOEXPQMWQRD-CYBMUJFWSA-N 2 2 295.387 0.538 20 0 CCADLP C[NH+]1CCC(CC(=O)NCC[NH2+]Cc2nncs2)CC1 ZINC001134780371 839073300 /nfs/dbraw/zinc/07/33/00/839073300.db2.gz CSVMGYPUQJBTAH-UHFFFAOYSA-N 2 2 297.428 0.476 20 0 CCADLP C[C@@H](C[C@H](C)[NH2+]CCO)NC(=O)CCc1[nH+]ccn1C ZINC001135057168 839143600 /nfs/dbraw/zinc/14/36/00/839143600.db2.gz RTOQNGWIARFNHH-RYUDHWBXSA-N 2 2 282.388 0.218 20 0 CCADLP C[C@H](O)CCC[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001135080286 839155635 /nfs/dbraw/zinc/15/56/35/839155635.db2.gz PISVYSBVFPQKDZ-RYUDHWBXSA-N 2 2 282.388 0.455 20 0 CCADLP C[C@H](O)CCC[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001135080286 839155637 /nfs/dbraw/zinc/15/56/37/839155637.db2.gz PISVYSBVFPQKDZ-RYUDHWBXSA-N 2 2 282.388 0.455 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[NH2+][C@H](C)c1ncccn1 ZINC001135511712 839280312 /nfs/dbraw/zinc/28/03/12/839280312.db2.gz ZTRUXYMSQVFMRA-GFCCVEGCSA-N 2 2 279.388 0.585 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CCC(F)(F)F ZINC001135757642 839392345 /nfs/dbraw/zinc/39/23/45/839392345.db2.gz JGDJSCXIWHMNAA-UHFFFAOYSA-N 2 2 264.251 0.610 20 0 CCADLP CCO[C@@H](C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001135757562 839392696 /nfs/dbraw/zinc/39/26/96/839392696.db2.gz FNYIMRWJTIECNO-LBPRGKRZSA-N 2 2 280.372 0.473 20 0 CCADLP Cc1ccncc1C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135760920 839395097 /nfs/dbraw/zinc/39/50/97/839395097.db2.gz VPKCOTYRFMDYNS-UHFFFAOYSA-N 2 2 273.340 0.562 20 0 CCADLP COCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001136056397 839509883 /nfs/dbraw/zinc/50/98/83/839509883.db2.gz SUJTWRFPASNEGF-QWHCGFSZSA-N 2 2 296.415 0.872 20 0 CCADLP [NH3+]CC[N@H+](CCO)[C@@H]1CCc2cccc(F)c2C1 ZINC001170948753 839597404 /nfs/dbraw/zinc/59/74/04/839597404.db2.gz INIDJDSOTGIZMI-GFCCVEGCSA-N 2 2 252.333 0.936 20 0 CCADLP [NH3+]CC[N@@H+](CCO)[C@@H]1CCc2cccc(F)c2C1 ZINC001170948753 839597413 /nfs/dbraw/zinc/59/74/13/839597413.db2.gz INIDJDSOTGIZMI-GFCCVEGCSA-N 2 2 252.333 0.936 20 0 CCADLP CC[C@@]1(C(=O)OC)C[C@@H](N[C@H]2CC[C@H](C)[NH2+]C2)C[NH2+]1 ZINC001246086750 839601206 /nfs/dbraw/zinc/60/12/06/839601206.db2.gz VUHAQCACBFUGOC-FMSGJZPZSA-N 2 2 269.389 0.400 20 0 CCADLP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001090680542 839732603 /nfs/dbraw/zinc/73/26/03/839732603.db2.gz WGLMGWMQCYRLAT-QWHCGFSZSA-N 2 2 292.383 0.470 20 0 CCADLP CC(C)=CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001090680542 839732610 /nfs/dbraw/zinc/73/26/10/839732610.db2.gz WGLMGWMQCYRLAT-QWHCGFSZSA-N 2 2 292.383 0.470 20 0 CCADLP C[C@@H](O)CCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001185918511 844474483 /nfs/dbraw/zinc/47/44/83/844474483.db2.gz MCUIQHPVBIBKRA-VXGBXAGGSA-N 2 2 280.372 0.304 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001185924876 844475395 /nfs/dbraw/zinc/47/53/95/844475395.db2.gz GVSQJFQKWVIKEP-GHMZBOCLSA-N 2 2 266.345 0.178 20 0 CCADLP CC(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090851073 839853854 /nfs/dbraw/zinc/85/38/54/839853854.db2.gz YKNKZUIZEAKSMT-CHWSQXEVSA-N 2 2 280.372 0.091 20 0 CCADLP CC(C)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090851073 839853861 /nfs/dbraw/zinc/85/38/61/839853861.db2.gz YKNKZUIZEAKSMT-CHWSQXEVSA-N 2 2 280.372 0.091 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@@](C)([NH3+])C2)CCN1 ZINC001246529782 839894774 /nfs/dbraw/zinc/89/47/74/839894774.db2.gz LTPGZHQNRQMRCG-NTZNESFSSA-N 2 2 255.362 0.093 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@@](C)([NH3+])C2)CCN1 ZINC001246529782 839894784 /nfs/dbraw/zinc/89/47/84/839894784.db2.gz LTPGZHQNRQMRCG-NTZNESFSSA-N 2 2 255.362 0.093 20 0 CCADLP COC(C)(C)[C@@H]1CCCN1C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001160583411 840028314 /nfs/dbraw/zinc/02/83/14/840028314.db2.gz XNMGRRXUKNXUSQ-NEPJUHHUSA-N 2 2 280.372 0.696 20 0 CCADLP CCOC(=O)N1CC[C@H]([N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)C1 ZINC001246586159 840125033 /nfs/dbraw/zinc/12/50/33/840125033.db2.gz MQRLRAXZJKPGLH-TUAOUCFPSA-N 2 2 273.352 0.978 20 0 CCADLP CCOC(=O)N1CC[C@H]([N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)C1 ZINC001246586159 840125037 /nfs/dbraw/zinc/12/50/37/840125037.db2.gz MQRLRAXZJKPGLH-TUAOUCFPSA-N 2 2 273.352 0.978 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]CCC1CC1 ZINC001171238516 840178485 /nfs/dbraw/zinc/17/84/85/840178485.db2.gz RIYHICIMLPQQKX-UHFFFAOYSA-N 2 2 264.373 0.859 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH2+]CCCNC(=O)Cc2c[nH+]cn2C)O1 ZINC001171238941 840179773 /nfs/dbraw/zinc/17/97/73/840179773.db2.gz TWCNDSGWIRKEAX-OCCSQVGLSA-N 2 2 294.399 0.626 20 0 CCADLP C[C@@H]1CC[C@H]([NH+]2CCC3(C[C@H](O)CO3)CC2)C[NH2+]1 ZINC001246614513 840184985 /nfs/dbraw/zinc/18/49/85/840184985.db2.gz NINFJJZXXDUIAN-AGIUHOORSA-N 2 2 254.374 0.743 20 0 CCADLP O=C(N1CCC2(C[C@H](F)CO2)CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160789591 840226916 /nfs/dbraw/zinc/22/69/16/840226916.db2.gz XWIZVBZGFBKULF-TYNCELHUSA-N 2 2 297.374 0.058 20 0 CCADLP C[C@H](C[C@H](C)[NH2+]Cc1ccon1)NC(=O)Cn1cc[nH+]c1 ZINC001146773328 840361128 /nfs/dbraw/zinc/36/11/28/840361128.db2.gz WUQOJOCMLNZYNL-NWDGAFQWSA-N 2 2 291.355 0.944 20 0 CCADLP [NH3+][C@@H]1C[N@H+](CCCCOCc2ccccc2)C[C@H]1O ZINC001205347367 844534075 /nfs/dbraw/zinc/53/40/75/844534075.db2.gz MSUFUUYDTSSSST-HUUCEWRRSA-N 2 2 264.369 0.987 20 0 CCADLP [NH3+][C@@H]1C[N@@H+](CCCCOCc2ccccc2)C[C@H]1O ZINC001205347367 844534078 /nfs/dbraw/zinc/53/40/78/844534078.db2.gz MSUFUUYDTSSSST-HUUCEWRRSA-N 2 2 264.369 0.987 20 0 CCADLP CC[C@@H](F)C[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149124970 840641635 /nfs/dbraw/zinc/64/16/35/840641635.db2.gz ZBGZVTCIZAGIIR-SNVBAGLBSA-N 2 2 256.325 0.715 20 0 CCADLP CC[C@H](F)C[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149124969 840642373 /nfs/dbraw/zinc/64/23/73/840642373.db2.gz ZBGZVTCIZAGIIR-JTQLQIEISA-N 2 2 256.325 0.715 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+]CCOCC2CC2)C1 ZINC001186576336 844570450 /nfs/dbraw/zinc/57/04/50/844570450.db2.gz RIQLWSGMJIECTP-CYBMUJFWSA-N 2 2 292.383 0.569 20 0 CCADLP [NH3+]C[C@H]1CCC[N@@H+]1C[C@@H]1CC2(CO1)CCOCC2 ZINC000712626654 841102090 /nfs/dbraw/zinc/10/20/90/841102090.db2.gz JEUBLYHIGYVDNN-OLZOCXBDSA-N 2 2 254.374 0.995 20 0 CCADLP [NH3+]C[C@H]1CCC[N@H+]1C[C@@H]1CC2(CO1)CCOCC2 ZINC000712626654 841102095 /nfs/dbraw/zinc/10/20/95/841102095.db2.gz JEUBLYHIGYVDNN-OLZOCXBDSA-N 2 2 254.374 0.995 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC000714329156 841192992 /nfs/dbraw/zinc/19/29/92/841192992.db2.gz ZGEPTUUDZBHEQK-AGIUHOORSA-N 2 2 290.429 0.310 20 0 CCADLP CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)CC[C@@H]21 ZINC001036869477 841430964 /nfs/dbraw/zinc/43/09/64/841430964.db2.gz FEGYOBGAYJYBPN-OCCSQVGLSA-N 2 2 276.384 0.905 20 0 CCADLP CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)CC[C@@H]21 ZINC001036869477 841430974 /nfs/dbraw/zinc/43/09/74/841430974.db2.gz FEGYOBGAYJYBPN-OCCSQVGLSA-N 2 2 276.384 0.905 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]2[C@H](CC[N@H+]2CCCO)C1 ZINC001036910778 841688857 /nfs/dbraw/zinc/68/88/57/841688857.db2.gz YZYLNGASWOFPQI-ZIAGYGMSSA-N 2 2 292.383 0.188 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]2[C@H](CC[N@@H+]2CCCO)C1 ZINC001036910778 841688866 /nfs/dbraw/zinc/68/88/66/841688866.db2.gz YZYLNGASWOFPQI-ZIAGYGMSSA-N 2 2 292.383 0.188 20 0 CCADLP [NH3+]Cc1nccnc1Nc1nccc(C2C[NH2+]C2)n1 ZINC001171450612 841707865 /nfs/dbraw/zinc/70/78/65/841707865.db2.gz VSXQPHKMVVNAKL-UHFFFAOYSA-N 2 2 257.301 0.156 20 0 CCADLP C[C@H](CCCC[NH2+]CCO)NC(=O)CCc1[nH+]ccn1C ZINC001171896729 841772863 /nfs/dbraw/zinc/77/28/63/841772863.db2.gz UBVAQKNLSUFSEM-CYBMUJFWSA-N 2 2 296.415 0.610 20 0 CCADLP CCN1CC[C@@H]([NH2+][C@@]2(C[NH3+])CN3CCC2CC3)CC1=O ZINC001172034519 841813426 /nfs/dbraw/zinc/81/34/26/841813426.db2.gz DGTKOEBULNNRCJ-HIFRSBDPSA-N 2 2 280.416 0.010 20 0 CCADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCO[C@@H](CO)C1)C2 ZINC001172117596 841852455 /nfs/dbraw/zinc/85/24/55/841852455.db2.gz KCGJIPCKIKTFSV-XJFOESAGSA-N 2 2 254.374 0.695 20 0 CCADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCO[C@@H](CO)C1)C2 ZINC001172117596 841852462 /nfs/dbraw/zinc/85/24/62/841852462.db2.gz KCGJIPCKIKTFSV-XJFOESAGSA-N 2 2 254.374 0.695 20 0 CCADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCO[C@@H](CO)C1)C2 ZINC001172117596 841852467 /nfs/dbraw/zinc/85/24/67/841852467.db2.gz KCGJIPCKIKTFSV-XJFOESAGSA-N 2 2 254.374 0.695 20 0 CCADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCO[C@@H](CO)C1)C2 ZINC001172117596 841852473 /nfs/dbraw/zinc/85/24/73/841852473.db2.gz KCGJIPCKIKTFSV-XJFOESAGSA-N 2 2 254.374 0.695 20 0 CCADLP C[NH+]1CCN(C2C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)C2)CC1 ZINC001172123428 841854738 /nfs/dbraw/zinc/85/47/38/841854738.db2.gz CMMQRALJFVZWQP-ZSHCYNCHSA-N 3 2 292.471 0.933 20 0 CCADLP C[NH+]1CCN(C2C[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)C2)CC1 ZINC001172123428 841854745 /nfs/dbraw/zinc/85/47/45/841854745.db2.gz CMMQRALJFVZWQP-ZSHCYNCHSA-N 3 2 292.471 0.933 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172148040 841860157 /nfs/dbraw/zinc/86/01/57/841860157.db2.gz UOESMUUUVIHLHZ-FRRDWIJNSA-N 2 2 251.374 0.824 20 0 CCADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172148040 841860162 /nfs/dbraw/zinc/86/01/62/841860162.db2.gz UOESMUUUVIHLHZ-FRRDWIJNSA-N 2 2 251.374 0.824 20 0 CCADLP C[NH+]1CCC(CO)([NH2+][C@@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172167323 841880055 /nfs/dbraw/zinc/88/00/55/841880055.db2.gz VOMWYNMFVSHANM-CHWSQXEVSA-N 2 2 281.400 0.186 20 0 CCADLP COC(=O)[C@H]1CCC[C@@H]([NH2+][C@@H]2COC[C@H]2[NH3+])CC1 ZINC001172773252 841974038 /nfs/dbraw/zinc/97/40/38/841974038.db2.gz RNZQJBGWILIHOH-IRCOFANPSA-N 2 2 256.346 0.424 20 0 CCADLP CC[N@@H+]1CC[C@@H](N[C@@H](CCc2cn(C)c[nH+]2)C(=O)OC)C1 ZINC001173356486 842054244 /nfs/dbraw/zinc/05/42/44/842054244.db2.gz FBWQVBDEHNUYCD-KGLIPLIRSA-N 2 2 294.399 0.578 20 0 CCADLP CC[N@H+]1CC[C@@H](N[C@@H](CCc2cn(C)c[nH+]2)C(=O)OC)C1 ZINC001173356486 842054253 /nfs/dbraw/zinc/05/42/53/842054253.db2.gz FBWQVBDEHNUYCD-KGLIPLIRSA-N 2 2 294.399 0.578 20 0 CCADLP CC(C)[N@@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150379370 842187344 /nfs/dbraw/zinc/18/73/44/842187344.db2.gz DGVAELFAOFDFOA-ZDUSSCGKSA-N 2 2 280.372 0.568 20 0 CCADLP CC(C)[N@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150379370 842187348 /nfs/dbraw/zinc/18/73/48/842187348.db2.gz DGVAELFAOFDFOA-ZDUSSCGKSA-N 2 2 280.372 0.568 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]CCCF ZINC001174683276 842198889 /nfs/dbraw/zinc/19/88/89/842198889.db2.gz SUJWCBJADLDFKD-UHFFFAOYSA-N 2 2 256.325 0.716 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]Cc1cnoc1C ZINC001174684134 842200741 /nfs/dbraw/zinc/20/07/41/842200741.db2.gz ZWVSNTQRPXTIQN-UHFFFAOYSA-N 2 2 291.355 0.853 20 0 CCADLP C[N@H+]1CCC=C(Nc2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC001175577784 842264909 /nfs/dbraw/zinc/26/49/09/842264909.db2.gz ZEWHHOKZQGPAQN-UHFFFAOYSA-N 2 2 291.399 0.847 20 0 CCADLP C[NH+]1CCN(c2cc(Nc3[nH]cc[nH+]3)ncn2)CC1 ZINC001176079895 842310509 /nfs/dbraw/zinc/31/05/09/842310509.db2.gz KRBKXNGUSWUYLZ-UHFFFAOYSA-N 2 2 259.317 0.695 20 0 CCADLP COCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001110194846 842365633 /nfs/dbraw/zinc/36/56/33/842365633.db2.gz DVQPTMZQRPLKEK-RDBSUJKOSA-N 2 2 292.383 0.641 20 0 CCADLP COCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001110194846 842365644 /nfs/dbraw/zinc/36/56/44/842365644.db2.gz DVQPTMZQRPLKEK-RDBSUJKOSA-N 2 2 292.383 0.641 20 0 CCADLP C[C@H](CCCC[NH2+][C@H](C)C(N)=O)NC(=O)Cn1cc[nH+]c1 ZINC001176828931 842415858 /nfs/dbraw/zinc/41/58/58/842415858.db2.gz HHNSJFAPFKSSGC-VXGBXAGGSA-N 2 2 295.387 0.022 20 0 CCADLP [NH3+][C@H]1CC[C@H](N(C(=O)CCn2cc[nH+]c2)C2COC2)CC1 ZINC001176884013 842442061 /nfs/dbraw/zinc/44/20/61/842442061.db2.gz TXRCMJYDETZKKW-JOCQHMNTSA-N 2 2 292.383 0.771 20 0 CCADLP CC[N@@H+]1CCO[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001177081990 842487849 /nfs/dbraw/zinc/48/78/49/842487849.db2.gz TYQQBTGNELICSB-KBPBESRZSA-N 2 2 295.427 0.650 20 0 CCADLP CC[N@H+]1CCO[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001177081990 842487856 /nfs/dbraw/zinc/48/78/56/842487856.db2.gz TYQQBTGNELICSB-KBPBESRZSA-N 2 2 295.427 0.650 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[C@H]2OCC[NH+](CC)[C@@H]2C1 ZINC001177139592 842510257 /nfs/dbraw/zinc/51/02/57/842510257.db2.gz RXWIDCFUISNFFF-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CC[C@H]2OCC[NH+](CC)[C@@H]2C1 ZINC001177139592 842510252 /nfs/dbraw/zinc/51/02/52/842510252.db2.gz RXWIDCFUISNFFF-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CCC[NH+](C)CC(=O)N1CC[C@H]2OCC[N@H+](CC)[C@@H]2C1 ZINC001177139592 842510263 /nfs/dbraw/zinc/51/02/63/842510263.db2.gz RXWIDCFUISNFFF-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@@H]([NH2+]CCCNC(=O)Cn1cc[nH+]c1)c1ncccn1 ZINC001177404488 842577378 /nfs/dbraw/zinc/57/73/78/842577378.db2.gz BHSHTFMORYYHEV-GFCCVEGCSA-N 2 2 288.355 0.530 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]CC[C@@H]1CCOC1 ZINC001177405580 842579042 /nfs/dbraw/zinc/57/90/42/842579042.db2.gz PBSYZNXNRVMQRH-CYBMUJFWSA-N 2 2 280.372 0.406 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]CCC[C@H]1CCOC1 ZINC001177405119 842579513 /nfs/dbraw/zinc/57/95/13/842579513.db2.gz KPUHLSVTCPSTGD-AWEZNQCLSA-N 2 2 294.399 0.796 20 0 CCADLP CN(CC(=O)N(c1ncccn1)C1C[NH2+]C1)c1cccc[nH+]1 ZINC001177412888 842584496 /nfs/dbraw/zinc/58/44/96/842584496.db2.gz XDMJTVGHJYUGNT-UHFFFAOYSA-N 2 2 298.350 0.313 20 0 CCADLP CN(C)c1ncc(C[NH2+]CCC[NH+]2CCC(O)CC2)cn1 ZINC001177475904 842595307 /nfs/dbraw/zinc/59/53/07/842595307.db2.gz SDOZWVRRSLNPMZ-UHFFFAOYSA-N 2 2 293.415 0.479 20 0 CCADLP CCc1[nH+]ccn1CCNC(=O)[C@H]1CC[N@H+]1CC ZINC001177514738 842619018 /nfs/dbraw/zinc/61/90/18/842619018.db2.gz SENQTMYRXJFKEZ-LLVKDONJSA-N 2 2 250.346 0.656 20 0 CCADLP CCc1[nH+]ccn1CCNC(=O)[C@H]1CC[N@@H+]1CC ZINC001177514738 842619020 /nfs/dbraw/zinc/61/90/20/842619020.db2.gz SENQTMYRXJFKEZ-LLVKDONJSA-N 2 2 250.346 0.656 20 0 CCADLP C[C@H](C(=O)n1ccc([C@@H]2CCC[NH2+]2)nc1=N)n1cc[nH+]c1 ZINC001177921742 842709314 /nfs/dbraw/zinc/70/93/14/842709314.db2.gz HJDTZYVAOUJLIJ-MNOVXSKESA-N 2 2 286.339 0.885 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC001178853292 842930554 /nfs/dbraw/zinc/93/05/54/842930554.db2.gz QCZURCLUXGQAAM-DYEKYZERSA-N 2 2 294.399 0.956 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC001178853292 842930562 /nfs/dbraw/zinc/93/05/62/842930562.db2.gz QCZURCLUXGQAAM-DYEKYZERSA-N 2 2 294.399 0.956 20 0 CCADLP CC(C)OCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC001179783406 843050639 /nfs/dbraw/zinc/05/06/39/843050639.db2.gz NMBFWSPBYCFRGC-STQMWFEESA-N 2 2 294.399 0.956 20 0 CCADLP C[C@@H](O)C[NH2+]CCCCCCNC(=O)Cc1c[nH+]cn1C ZINC001180065703 843102574 /nfs/dbraw/zinc/10/25/74/843102574.db2.gz YYDDKWUIVLKFGB-CYBMUJFWSA-N 2 2 296.415 0.610 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001180288244 843142725 /nfs/dbraw/zinc/14/27/25/843142725.db2.gz VSDNUCHSBGYMGB-AVGNSLFASA-N 2 2 280.372 0.497 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NCCCCCC[NH2+]CCO ZINC001180452186 843183277 /nfs/dbraw/zinc/18/32/77/843183277.db2.gz PNFLIOADSQJASM-UHFFFAOYSA-N 2 2 296.415 0.922 20 0 CCADLP C[N@@H+]1CCC[C@H]1CCNC(=O)Cc1cc[nH+]c(N)c1 ZINC001181264086 843438298 /nfs/dbraw/zinc/43/82/98/843438298.db2.gz HKPOJKXKZLVNRF-LBPRGKRZSA-N 2 2 262.357 0.807 20 0 CCADLP C[N@H+]1CCC[C@H]1CCNC(=O)Cc1cc[nH+]c(N)c1 ZINC001181264086 843438305 /nfs/dbraw/zinc/43/83/05/843438305.db2.gz HKPOJKXKZLVNRF-LBPRGKRZSA-N 2 2 262.357 0.807 20 0 CCADLP C[NH+](C)CC(C)(C)CNC(=O)Cc1cc[nH+]c(N)c1 ZINC001181265727 843438410 /nfs/dbraw/zinc/43/84/10/843438410.db2.gz SHNPFRVBENNBCS-UHFFFAOYSA-N 2 2 264.373 0.910 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001151066567 843629150 /nfs/dbraw/zinc/62/91/50/843629150.db2.gz WKSAHYOMXKBYGC-MWLCHTKSSA-N 2 2 281.360 0.097 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001151066567 843629152 /nfs/dbraw/zinc/62/91/52/843629152.db2.gz WKSAHYOMXKBYGC-MWLCHTKSSA-N 2 2 281.360 0.097 20 0 CCADLP C[NH+]1CCC(O)(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC001182032039 843682619 /nfs/dbraw/zinc/68/26/19/843682619.db2.gz GGMJIFMZOLOMRY-UHFFFAOYSA-N 2 2 292.383 0.572 20 0 CCADLP C[NH+]1CCC(O)(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC1 ZINC001182032039 843682621 /nfs/dbraw/zinc/68/26/21/843682621.db2.gz GGMJIFMZOLOMRY-UHFFFAOYSA-N 2 2 292.383 0.572 20 0 CCADLP Cc1noc([C@@H]2OCC[C@@H]2[NH2+]C2CC[NH+](C)CC2)n1 ZINC001183188891 843974427 /nfs/dbraw/zinc/97/44/27/843974427.db2.gz OGUCZIZFTFSZRZ-NWDGAFQWSA-N 2 2 266.345 0.892 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001187092103 844649756 /nfs/dbraw/zinc/64/97/56/844649756.db2.gz OFHYDMOMTLOOAC-JRBALWBOSA-N 2 2 282.775 0.906 20 0 CCADLP CO[C@@H](C)C[N@H+](C)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189873474 845242529 /nfs/dbraw/zinc/24/25/29/845242529.db2.gz FPHPIOKMZHJSHY-STQMWFEESA-N 2 2 294.399 0.910 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189873474 845242538 /nfs/dbraw/zinc/24/25/38/845242538.db2.gz FPHPIOKMZHJSHY-STQMWFEESA-N 2 2 294.399 0.910 20 0 CCADLP CO[C@@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189873473 845242916 /nfs/dbraw/zinc/24/29/16/845242916.db2.gz FPHPIOKMZHJSHY-QWHCGFSZSA-N 2 2 294.399 0.910 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189873473 845242930 /nfs/dbraw/zinc/24/29/30/845242930.db2.gz FPHPIOKMZHJSHY-QWHCGFSZSA-N 2 2 294.399 0.910 20 0 CCADLP C[N@H+](CCCO)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001190753588 845489421 /nfs/dbraw/zinc/48/94/21/845489421.db2.gz DSULQUJAQSJOKJ-JHJVBQTASA-N 2 2 292.383 0.428 20 0 CCADLP C[N@@H+](CCCO)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001190753588 845489426 /nfs/dbraw/zinc/48/94/26/845489426.db2.gz DSULQUJAQSJOKJ-JHJVBQTASA-N 2 2 292.383 0.428 20 0 CCADLP C[N@H+](CCCO)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001190753588 845489434 /nfs/dbraw/zinc/48/94/34/845489434.db2.gz DSULQUJAQSJOKJ-JHJVBQTASA-N 2 2 292.383 0.428 20 0 CCADLP C[N@@H+](CCCO)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001190753588 845489436 /nfs/dbraw/zinc/48/94/36/845489436.db2.gz DSULQUJAQSJOKJ-JHJVBQTASA-N 2 2 292.383 0.428 20 0 CCADLP CC[C@H](C(=O)N(CC)CC[NH2+]Cc1ncccn1)[NH+](C)C ZINC001273710363 846673248 /nfs/dbraw/zinc/67/32/48/846673248.db2.gz SQBAGZIHELVKQG-CYBMUJFWSA-N 2 2 293.415 0.755 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC001250973880 846691864 /nfs/dbraw/zinc/69/18/64/846691864.db2.gz IEVYHIWIDMNGDP-ZJUUUORDSA-N 2 2 297.321 0.052 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC001250973880 846691867 /nfs/dbraw/zinc/69/18/67/846691867.db2.gz IEVYHIWIDMNGDP-ZJUUUORDSA-N 2 2 297.321 0.052 20 0 CCADLP CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001196498164 846764793 /nfs/dbraw/zinc/76/47/93/846764793.db2.gz CADCPOXXBYUOMZ-BFHYXJOUSA-N 2 2 294.399 0.796 20 0 CCADLP CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001196498164 846764802 /nfs/dbraw/zinc/76/48/02/846764802.db2.gz CADCPOXXBYUOMZ-BFHYXJOUSA-N 2 2 294.399 0.796 20 0 CCADLP C[C@H](O)CCC[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001198368155 847096749 /nfs/dbraw/zinc/09/67/49/847096749.db2.gz PJWDQVPGOCPLSW-AWEZNQCLSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@H](O)CCC[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001198368155 847096754 /nfs/dbraw/zinc/09/67/54/847096754.db2.gz PJWDQVPGOCPLSW-AWEZNQCLSA-N 2 2 294.399 0.578 20 0 CCADLP COCNC(=S)NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001198850646 847182264 /nfs/dbraw/zinc/18/22/64/847182264.db2.gz CWDOCUXFZZZKJN-UHFFFAOYSA-N 2 2 274.434 0.080 20 0 CCADLP CC[NH2+]CCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001152618831 847344090 /nfs/dbraw/zinc/34/40/90/847344090.db2.gz SJDSSMIFUDYWGY-GFCCVEGCSA-N 2 2 250.346 0.410 20 0 CCADLP COC[C@@H](C)[NH2+]CCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001152619205 847345952 /nfs/dbraw/zinc/34/59/52/847345952.db2.gz YSVITHUOFGWGOP-TZMCWYRMSA-N 2 2 294.399 0.425 20 0 CCADLP C[NH+](C)C1(CNC(=S)NC2CC2)CC[NH+](C)CC1 ZINC001200633379 847667134 /nfs/dbraw/zinc/66/71/34/847667134.db2.gz QGUBDPZYLOJHCG-UHFFFAOYSA-N 2 2 270.446 0.639 20 0 CCADLP CC(C)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCCO1 ZINC001201727492 847806861 /nfs/dbraw/zinc/80/68/61/847806861.db2.gz XRGMKHDUFQRJNC-CYBMUJFWSA-N 2 2 294.399 0.815 20 0 CCADLP CC[C@@H](C)[N@@H+]1C[C@]2(F)CN(CC[NH+](C)C)C(=O)[C@]2(F)C1 ZINC001273922640 847845923 /nfs/dbraw/zinc/84/59/23/847845923.db2.gz NZCAOXCVZPKFOD-MRVWCRGKSA-N 2 2 289.370 0.921 20 0 CCADLP CC[C@@H](C)[N@H+]1C[C@]2(F)CN(CC[NH+](C)C)C(=O)[C@]2(F)C1 ZINC001273922640 847845926 /nfs/dbraw/zinc/84/59/26/847845926.db2.gz NZCAOXCVZPKFOD-MRVWCRGKSA-N 2 2 289.370 0.921 20 0 CCADLP COc1ccnc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2)c1 ZINC001153487556 848011184 /nfs/dbraw/zinc/01/11/84/848011184.db2.gz DJSPNGQFNGBQNF-UHFFFAOYSA-N 2 2 289.339 0.193 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000717441082 848263317 /nfs/dbraw/zinc/26/33/17/848263317.db2.gz OSMXBXFQCYUKOA-XGUBFFRZSA-N 2 2 286.416 0.567 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000717441082 848263328 /nfs/dbraw/zinc/26/33/28/848263328.db2.gz OSMXBXFQCYUKOA-XGUBFFRZSA-N 2 2 286.416 0.567 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000717441082 848263338 /nfs/dbraw/zinc/26/33/38/848263338.db2.gz OSMXBXFQCYUKOA-XGUBFFRZSA-N 2 2 286.416 0.567 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000717441082 848263346 /nfs/dbraw/zinc/26/33/46/848263346.db2.gz OSMXBXFQCYUKOA-XGUBFFRZSA-N 2 2 286.416 0.567 20 0 CCADLP O=C1N(CCn2cc[nH+]c2)CC[C@@]12CC[N@@H+](C1CC1)C2 ZINC001274017566 848304768 /nfs/dbraw/zinc/30/47/68/848304768.db2.gz QIIHLGKTNRKKDR-HNNXBMFYSA-N 2 2 274.368 0.970 20 0 CCADLP O=C1N(CCn2cc[nH+]c2)CC[C@@]12CC[N@H+](C1CC1)C2 ZINC001274017566 848304779 /nfs/dbraw/zinc/30/47/79/848304779.db2.gz QIIHLGKTNRKKDR-HNNXBMFYSA-N 2 2 274.368 0.970 20 0 CCADLP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]Cc2cnon2)CC[N@@H+]1C ZINC001274037418 848313100 /nfs/dbraw/zinc/31/31/00/848313100.db2.gz QQQPJNJQJNTUAM-CWBMUHOVSA-N 2 2 293.371 0.172 20 0 CCADLP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]Cc2cnon2)CC[N@H+]1C ZINC001274037418 848313111 /nfs/dbraw/zinc/31/31/11/848313111.db2.gz QQQPJNJQJNTUAM-CWBMUHOVSA-N 2 2 293.371 0.172 20 0 CCADLP C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1cn(-c2cc[nH+]cc2)cn1 ZINC001274212670 848376200 /nfs/dbraw/zinc/37/62/00/848376200.db2.gz BWBSOCMNOBUJNT-BETUJISGSA-N 2 2 283.335 0.796 20 0 CCADLP C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1cn(-c2cc[nH+]cc2)cn1 ZINC001274212670 848376207 /nfs/dbraw/zinc/37/62/07/848376207.db2.gz BWBSOCMNOBUJNT-BETUJISGSA-N 2 2 283.335 0.796 20 0 CCADLP Cc1cnc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001274578202 848510000 /nfs/dbraw/zinc/51/00/00/848510000.db2.gz GNLIBJJEIMTMEP-ITDFMYJTSA-N 2 2 292.383 0.697 20 0 CCADLP Cc1cnc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001274578202 848510007 /nfs/dbraw/zinc/51/00/07/848510007.db2.gz GNLIBJJEIMTMEP-ITDFMYJTSA-N 2 2 292.383 0.697 20 0 CCADLP CC[N@@H+]1C[C@@H]2OCCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)[C@H]2C1 ZINC001275078898 848629429 /nfs/dbraw/zinc/62/94/29/848629429.db2.gz CDHZFJYHOGLRFL-KKUMJFAQSA-N 2 2 293.411 0.402 20 0 CCADLP CC[N@H+]1C[C@@H]2OCCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)[C@H]2C1 ZINC001275078898 848629433 /nfs/dbraw/zinc/62/94/33/848629433.db2.gz CDHZFJYHOGLRFL-KKUMJFAQSA-N 2 2 293.411 0.402 20 0 CCADLP CCC[N@@H+]1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001275108641 848640866 /nfs/dbraw/zinc/64/08/66/848640866.db2.gz URVQTOIJFOPQCW-OKILXGFUSA-N 2 2 264.373 0.678 20 0 CCADLP CCC[N@H+]1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001275108641 848640868 /nfs/dbraw/zinc/64/08/68/848640868.db2.gz URVQTOIJFOPQCW-OKILXGFUSA-N 2 2 264.373 0.678 20 0 CCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1ccncc1O ZINC001275167592 848654842 /nfs/dbraw/zinc/65/48/42/848654842.db2.gz DHSOUUIELRYRAB-OKILXGFUSA-N 2 2 276.384 0.607 20 0 CCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1ccncc1O ZINC001275167592 848654845 /nfs/dbraw/zinc/65/48/45/848654845.db2.gz DHSOUUIELRYRAB-OKILXGFUSA-N 2 2 276.384 0.607 20 0 CCADLP CCc1cc(C[NH+]2CC3(CN(CC[NH+](C)C)C3)C2)on1 ZINC001275228971 848674000 /nfs/dbraw/zinc/67/40/00/848674000.db2.gz NOJBTJUFIVIYGH-UHFFFAOYSA-N 2 2 278.400 0.916 20 0 CCADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)CN1CC[NH2+]CC1 ZINC000037631304 848737954 /nfs/dbraw/zinc/73/79/54/848737954.db2.gz KBZNJMPTSYLDDU-ZDUSSCGKSA-N 2 2 293.415 0.319 20 0 CCADLP CC[NH2+]CCCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001276084873 848919291 /nfs/dbraw/zinc/91/92/91/848919291.db2.gz PZTNJLKRSGQJLM-GFCCVEGCSA-N 2 2 264.373 0.904 20 0 CCADLP CO[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)C1 ZINC000249298065 849371651 /nfs/dbraw/zinc/37/16/51/849371651.db2.gz NEVSDQWCOSOJRW-MJBXVCDLSA-N 2 2 281.400 0.607 20 0 CCADLP CO[C@@H]1CC(=O)N(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)C1 ZINC000249298065 849371663 /nfs/dbraw/zinc/37/16/63/849371663.db2.gz NEVSDQWCOSOJRW-MJBXVCDLSA-N 2 2 281.400 0.607 20 0 CCADLP CO[C@@H]1CC(=O)N(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)C1 ZINC000249298065 849371673 /nfs/dbraw/zinc/37/16/73/849371673.db2.gz NEVSDQWCOSOJRW-MJBXVCDLSA-N 2 2 281.400 0.607 20 0 CCADLP CO[C@@H]1CC(=O)N(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)C1 ZINC000249298065 849371684 /nfs/dbraw/zinc/37/16/84/849371684.db2.gz NEVSDQWCOSOJRW-MJBXVCDLSA-N 2 2 281.400 0.607 20 0 CCADLP CC(C)OC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000720366105 849420306 /nfs/dbraw/zinc/42/03/06/849420306.db2.gz HVRDDEDZEULJFL-MCIONIFRSA-N 2 2 256.390 0.941 20 0 CCADLP CC(C)OC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000720366105 849420309 /nfs/dbraw/zinc/42/03/09/849420309.db2.gz HVRDDEDZEULJFL-MCIONIFRSA-N 2 2 256.390 0.941 20 0 CCADLP CC(C)OC[C@H](O)C[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000720366105 849420311 /nfs/dbraw/zinc/42/03/11/849420311.db2.gz HVRDDEDZEULJFL-MCIONIFRSA-N 2 2 256.390 0.941 20 0 CCADLP CC(C)OC[C@H](O)C[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000720366105 849420315 /nfs/dbraw/zinc/42/03/15/849420315.db2.gz HVRDDEDZEULJFL-MCIONIFRSA-N 2 2 256.390 0.941 20 0 CCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1ncccn1)C2 ZINC001276334651 849426521 /nfs/dbraw/zinc/42/65/21/849426521.db2.gz CJRAKKRHIHZUQE-KGLIPLIRSA-N 2 2 275.400 0.544 20 0 CCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ncccn1)C2 ZINC001276334651 849426524 /nfs/dbraw/zinc/42/65/24/849426524.db2.gz CJRAKKRHIHZUQE-KGLIPLIRSA-N 2 2 275.400 0.544 20 0 CCADLP Cn1c[nH+]cc1CN1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720826376 849546948 /nfs/dbraw/zinc/54/69/48/849546948.db2.gz FJKHYPBIZFXSQX-SCZZXKLOSA-N 2 2 262.279 0.989 20 0 CCADLP COCCOCCOCCC[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000720937945 849565955 /nfs/dbraw/zinc/56/59/55/849565955.db2.gz UFNBGCOKPKWVMO-CABCVRRESA-N 2 2 286.416 0.882 20 0 CCADLP COCCOCCOCCC[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000720937945 849565960 /nfs/dbraw/zinc/56/59/60/849565960.db2.gz UFNBGCOKPKWVMO-CABCVRRESA-N 2 2 286.416 0.882 20 0 CCADLP CC[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000381414982 849757284 /nfs/dbraw/zinc/75/72/84/849757284.db2.gz ZKKWVRFGLXCGNP-UHFFFAOYSA-N 2 2 250.346 0.731 20 0 CCADLP Cc1ncc(C[NH+]2CC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001039026095 850128145 /nfs/dbraw/zinc/12/81/45/850128145.db2.gz DIIUHFLGFUMICE-OLZOCXBDSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1ncc(C[NH+]2CC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001039026095 850128152 /nfs/dbraw/zinc/12/81/52/850128152.db2.gz DIIUHFLGFUMICE-OLZOCXBDSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1ncc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2CC[NH+](C)C2)o1 ZINC001039026095 850128162 /nfs/dbraw/zinc/12/81/62/850128162.db2.gz DIIUHFLGFUMICE-OLZOCXBDSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1ncc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2CC[NH+](C)C2)o1 ZINC001039026095 850128170 /nfs/dbraw/zinc/12/81/70/850128170.db2.gz DIIUHFLGFUMICE-OLZOCXBDSA-N 2 2 292.383 0.625 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001041524099 850458895 /nfs/dbraw/zinc/45/88/95/850458895.db2.gz SYMYOTKXYFRDMV-HNNXBMFYSA-N 2 2 292.383 0.190 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001041524099 850458901 /nfs/dbraw/zinc/45/89/01/850458901.db2.gz SYMYOTKXYFRDMV-HNNXBMFYSA-N 2 2 292.383 0.190 20 0 CCADLP C[C@H](C(=O)N(C)C1C[NH+](C[C@H](C)O)C1)[NH+]1CCCCCC1 ZINC001044003790 850983930 /nfs/dbraw/zinc/98/39/30/850983930.db2.gz SPFLJPYYZXMYLR-UONOGXRCSA-N 2 2 297.443 0.774 20 0 CCADLP CN(C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)C1C[NH+](CCCO)C1 ZINC001044030670 850989120 /nfs/dbraw/zinc/98/91/20/850989120.db2.gz OAICDILSCZVEGW-DZGCQCFKSA-N 2 2 295.427 0.528 20 0 CCADLP CN(C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)C1C[NH+](CCCO)C1 ZINC001044030670 850989129 /nfs/dbraw/zinc/98/91/29/850989129.db2.gz OAICDILSCZVEGW-DZGCQCFKSA-N 2 2 295.427 0.528 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]CCO)C[C@H]1C ZINC001044842309 851167268 /nfs/dbraw/zinc/16/72/68/851167268.db2.gz RESJAOYTINSIIF-PWSUYJOCSA-N 2 2 280.372 0.222 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCO)C2 ZINC001047210397 851681412 /nfs/dbraw/zinc/68/14/12/851681412.db2.gz JPMPKDIAYLQIKH-IHRRRGAJSA-N 2 2 292.383 0.235 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCO)C2 ZINC001047210397 851681415 /nfs/dbraw/zinc/68/14/15/851681415.db2.gz JPMPKDIAYLQIKH-IHRRRGAJSA-N 2 2 292.383 0.235 20 0 CCADLP CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2C1 ZINC001048874572 852089092 /nfs/dbraw/zinc/08/90/92/852089092.db2.gz IYUGSSUUSFMFBJ-YVECIDJPSA-N 2 2 274.368 0.923 20 0 CCADLP CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2C1 ZINC001048874572 852089098 /nfs/dbraw/zinc/08/90/98/852089098.db2.gz IYUGSSUUSFMFBJ-YVECIDJPSA-N 2 2 274.368 0.923 20 0 CCADLP CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2C1 ZINC001048874572 852089104 /nfs/dbraw/zinc/08/91/04/852089104.db2.gz IYUGSSUUSFMFBJ-YVECIDJPSA-N 2 2 274.368 0.923 20 0 CCADLP CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2C1 ZINC001048874572 852089106 /nfs/dbraw/zinc/08/91/06/852089106.db2.gz IYUGSSUUSFMFBJ-YVECIDJPSA-N 2 2 274.368 0.923 20 0 CCADLP CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@H]2C1 ZINC001048900288 852102138 /nfs/dbraw/zinc/10/21/38/852102138.db2.gz CCTFDKCAFOLJSC-MCIONIFRSA-N 2 2 288.395 0.856 20 0 CCADLP CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@H]2C1 ZINC001048900288 852102140 /nfs/dbraw/zinc/10/21/40/852102140.db2.gz CCTFDKCAFOLJSC-MCIONIFRSA-N 2 2 288.395 0.856 20 0 CCADLP CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001049107115 852164862 /nfs/dbraw/zinc/16/48/62/852164862.db2.gz VRIILEHGSYNIIB-RWMBFGLXSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001049107115 852164866 /nfs/dbraw/zinc/16/48/66/852164866.db2.gz VRIILEHGSYNIIB-RWMBFGLXSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001049107115 852164870 /nfs/dbraw/zinc/16/48/70/852164870.db2.gz VRIILEHGSYNIIB-RWMBFGLXSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001049107115 852164875 /nfs/dbraw/zinc/16/48/75/852164875.db2.gz VRIILEHGSYNIIB-RWMBFGLXSA-N 2 2 276.384 0.998 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@@H+](CCF)C[C@@H]2C1 ZINC001049190219 852187878 /nfs/dbraw/zinc/18/78/78/852187878.db2.gz KHLPAGJOWRFDAU-TXEJJXNPSA-N 2 2 280.347 0.620 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@H+](CCF)C[C@@H]2C1 ZINC001049190219 852187888 /nfs/dbraw/zinc/18/78/88/852187888.db2.gz KHLPAGJOWRFDAU-TXEJJXNPSA-N 2 2 280.347 0.620 20 0 CCADLP CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001049391031 852254596 /nfs/dbraw/zinc/25/45/96/852254596.db2.gz FYZAVRGMWDMWGI-MJBXVCDLSA-N 2 2 281.400 0.402 20 0 CCADLP CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001049391031 852254603 /nfs/dbraw/zinc/25/46/03/852254603.db2.gz FYZAVRGMWDMWGI-MJBXVCDLSA-N 2 2 281.400 0.402 20 0 CCADLP CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001049391031 852254613 /nfs/dbraw/zinc/25/46/13/852254613.db2.gz FYZAVRGMWDMWGI-MJBXVCDLSA-N 2 2 281.400 0.402 20 0 CCADLP CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001049391031 852254622 /nfs/dbraw/zinc/25/46/22/852254622.db2.gz FYZAVRGMWDMWGI-MJBXVCDLSA-N 2 2 281.400 0.402 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@H]2[C@H]1CC[N@H+]2CCO ZINC001049511849 852299370 /nfs/dbraw/zinc/29/93/70/852299370.db2.gz PZERLNFUVGWASX-UONOGXRCSA-N 2 2 292.383 0.400 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCO ZINC001049511849 852299380 /nfs/dbraw/zinc/29/93/80/852299380.db2.gz PZERLNFUVGWASX-UONOGXRCSA-N 2 2 292.383 0.400 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@H]2[C@H]1CC[N@H+]2CCO ZINC001049511849 852299390 /nfs/dbraw/zinc/29/93/90/852299390.db2.gz PZERLNFUVGWASX-UONOGXRCSA-N 2 2 292.383 0.400 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCO ZINC001049511849 852299399 /nfs/dbraw/zinc/29/93/99/852299399.db2.gz PZERLNFUVGWASX-UONOGXRCSA-N 2 2 292.383 0.400 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001052824441 852658697 /nfs/dbraw/zinc/65/86/97/852658697.db2.gz XSNJEDPZCDSNCI-VXGBXAGGSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001052824441 852658702 /nfs/dbraw/zinc/65/87/02/852658702.db2.gz XSNJEDPZCDSNCI-VXGBXAGGSA-N 2 2 280.372 0.304 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCOC2(C[NH+](CC3CC3)C2)C1 ZINC001053189932 852705348 /nfs/dbraw/zinc/70/53/48/852705348.db2.gz GNYSKRVQSZDMIJ-AWEZNQCLSA-N 2 2 293.411 0.404 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCOC2(C[NH+](CC3CC3)C2)C1 ZINC001053189932 852705352 /nfs/dbraw/zinc/70/53/52/852705352.db2.gz GNYSKRVQSZDMIJ-AWEZNQCLSA-N 2 2 293.411 0.404 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)CCO2 ZINC001053429290 852742664 /nfs/dbraw/zinc/74/26/64/852742664.db2.gz KSZYWENKGYXGRB-UONOGXRCSA-N 2 2 295.427 0.507 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)CCO2 ZINC001053429290 852742666 /nfs/dbraw/zinc/74/26/66/852742666.db2.gz KSZYWENKGYXGRB-UONOGXRCSA-N 2 2 295.427 0.507 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1COC2(C[NH+](C(C)C)C2)C1 ZINC001053871410 852836867 /nfs/dbraw/zinc/83/68/67/852836867.db2.gz FJBHCHJUZUPMGV-CYBMUJFWSA-N 2 2 292.383 0.559 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2COC3(C[NH+](CCCF)C3)C2)C1 ZINC001054007863 852867020 /nfs/dbraw/zinc/86/70/20/852867020.db2.gz NKIDBJGEJXDPQC-OLZOCXBDSA-N 2 2 299.390 0.257 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2COC3(C[NH+](CCCF)C3)C2)C1 ZINC001054007863 852867025 /nfs/dbraw/zinc/86/70/25/852867025.db2.gz NKIDBJGEJXDPQC-OLZOCXBDSA-N 2 2 299.390 0.257 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CC2(C1)CC[NH+](CCO)CC2 ZINC001050503084 853385781 /nfs/dbraw/zinc/38/57/81/853385781.db2.gz PZUASZKMOQKUTF-UHFFFAOYSA-N 2 2 292.383 0.259 20 0 CCADLP CC(C)[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCO1 ZINC001051665604 853618794 /nfs/dbraw/zinc/61/87/94/853618794.db2.gz VMVMQCJGFJGOPQ-YNEHKIRRSA-N 2 2 292.383 0.739 20 0 CCADLP CC(C)[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCO1 ZINC001051665604 853618796 /nfs/dbraw/zinc/61/87/96/853618796.db2.gz VMVMQCJGFJGOPQ-YNEHKIRRSA-N 2 2 292.383 0.739 20 0 CCADLP CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc[nH+]c1)C[C@H](C)O2 ZINC001071248787 854141984 /nfs/dbraw/zinc/14/19/84/854141984.db2.gz SSUNPZVTYLTIJQ-ZFWWWQNUSA-N 2 2 292.383 0.595 20 0 CCADLP CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cn1cc[nH+]c1)C[C@H](C)O2 ZINC001071248787 854141990 /nfs/dbraw/zinc/14/19/90/854141990.db2.gz SSUNPZVTYLTIJQ-ZFWWWQNUSA-N 2 2 292.383 0.595 20 0 CCADLP CC(C)(C)[NH2+]CCC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394381168 854175276 /nfs/dbraw/zinc/17/52/76/854175276.db2.gz CWWCIYRCQNJLHA-CYBMUJFWSA-N 2 2 282.432 0.271 20 0 CCADLP CC(C)(C)[NH2+]CCC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000394381168 854175285 /nfs/dbraw/zinc/17/52/85/854175285.db2.gz CWWCIYRCQNJLHA-CYBMUJFWSA-N 2 2 282.432 0.271 20 0 CCADLP Cc1nc(N(C)CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)cc[nH+]1 ZINC001100326674 855147644 /nfs/dbraw/zinc/14/76/44/855147644.db2.gz HPRKVPSMTRXQQA-AAEUAGOBSA-N 2 2 291.399 0.535 20 0 CCADLP Cc1nc(N(C)CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)cc[nH+]1 ZINC001100326674 855147646 /nfs/dbraw/zinc/14/76/46/855147646.db2.gz HPRKVPSMTRXQQA-AAEUAGOBSA-N 2 2 291.399 0.535 20 0 CCADLP COCCC[NH2+]C1CC(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001100391359 855159181 /nfs/dbraw/zinc/15/91/81/855159181.db2.gz IDTUZXIEQVZYFN-UHFFFAOYSA-N 2 2 294.399 0.863 20 0 CCADLP COCCC[NH2+]C1CC(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001100391359 855159187 /nfs/dbraw/zinc/15/91/87/855159187.db2.gz IDTUZXIEQVZYFN-UHFFFAOYSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@@H](CC(=O)NCC1CC([NH2+]CCO)C1)n1cc[nH+]c1 ZINC001100716759 855214795 /nfs/dbraw/zinc/21/47/95/855214795.db2.gz OZXUGHZOAWEDSU-HIFPTAJRSA-N 2 2 280.372 0.311 20 0 CCADLP C[NH+]1CCC(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)CC1 ZINC001256200087 855218692 /nfs/dbraw/zinc/21/86/92/855218692.db2.gz MJGKDTIKPZSNAL-CQSZACIVSA-N 3 2 252.406 0.093 20 0 CCADLP COCC[NH2+]C1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001100789707 855226447 /nfs/dbraw/zinc/22/64/47/855226447.db2.gz IQIBYGVCALLGJX-UHFFFAOYSA-N 2 2 266.345 0.083 20 0 CCADLP Cc1[nH+]cc(CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1C ZINC000689748079 855286040 /nfs/dbraw/zinc/28/60/40/855286040.db2.gz ZDLITSYVLMAUOZ-OCCSQVGLSA-N 2 2 264.373 0.681 20 0 CCADLP Cc1[nH+]cc(CNC[C@H]2C[N@H+]3CCC[C@@H]3CO2)n1C ZINC000689748079 855286049 /nfs/dbraw/zinc/28/60/49/855286049.db2.gz ZDLITSYVLMAUOZ-OCCSQVGLSA-N 2 2 264.373 0.681 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102406206 855433799 /nfs/dbraw/zinc/43/37/99/855433799.db2.gz HECIAAFETIWKBH-IJLUTSLNSA-N 2 2 280.372 0.017 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102406206 855433800 /nfs/dbraw/zinc/43/38/00/855433800.db2.gz HECIAAFETIWKBH-IJLUTSLNSA-N 2 2 280.372 0.017 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102482616 855437835 /nfs/dbraw/zinc/43/78/35/855437835.db2.gz BCIZDWLCUPLMNH-GRYCIOLGSA-N 2 2 280.372 0.017 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102482616 855437838 /nfs/dbraw/zinc/43/78/38/855437838.db2.gz BCIZDWLCUPLMNH-GRYCIOLGSA-N 2 2 280.372 0.017 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001103574352 855524116 /nfs/dbraw/zinc/52/41/16/855524116.db2.gz LNSDTXWMNKIQHQ-FRRDWIJNSA-N 2 2 294.399 0.407 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001103574352 855524120 /nfs/dbraw/zinc/52/41/20/855524120.db2.gz LNSDTXWMNKIQHQ-FRRDWIJNSA-N 2 2 294.399 0.407 20 0 CCADLP C[C@@H]1C[N@H+](CCO)C[C@H]1CCNC(=O)Cc1c[nH+]cn1C ZINC001103644701 855526035 /nfs/dbraw/zinc/52/60/35/855526035.db2.gz MMPHWWCRRKOMQP-CHWSQXEVSA-N 2 2 294.399 0.029 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)C[C@H]1CCNC(=O)Cc1c[nH+]cn1C ZINC001103644701 855526042 /nfs/dbraw/zinc/52/60/42/855526042.db2.gz MMPHWWCRRKOMQP-CHWSQXEVSA-N 2 2 294.399 0.029 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001103778934 855529229 /nfs/dbraw/zinc/52/92/29/855529229.db2.gz DQEWTIGLFBJFGZ-HZSPNIEDSA-N 2 2 294.399 0.338 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001103778934 855529230 /nfs/dbraw/zinc/52/92/30/855529230.db2.gz DQEWTIGLFBJFGZ-HZSPNIEDSA-N 2 2 294.399 0.338 20 0 CCADLP C[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)n1cc[nH+]c1 ZINC001117996882 856132617 /nfs/dbraw/zinc/13/26/17/856132617.db2.gz HCFDNQOIZRPNAN-NEPJUHHUSA-N 2 2 250.346 0.997 20 0 CCADLP C[C@H](C(=O)N(C)C[C@@H]1CCC[N@H+]1C)n1cc[nH+]c1 ZINC001117996882 856132620 /nfs/dbraw/zinc/13/26/20/856132620.db2.gz HCFDNQOIZRPNAN-NEPJUHHUSA-N 2 2 250.346 0.997 20 0 CCADLP CC(C)C[NH2+]CC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC001118218199 856208312 /nfs/dbraw/zinc/20/83/12/856208312.db2.gz CTCHZOBWOKQSMR-GFCCVEGCSA-N 2 2 257.378 0.069 20 0 CCADLP CC(C)C[NH2+]CC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC001118218199 856208317 /nfs/dbraw/zinc/20/83/17/856208317.db2.gz CTCHZOBWOKQSMR-GFCCVEGCSA-N 2 2 257.378 0.069 20 0 CCADLP Cc1cc(CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc(C)[nH+]1 ZINC001119363503 856652779 /nfs/dbraw/zinc/65/27/79/856652779.db2.gz ZHUYHOHAQWIBAQ-BETUJISGSA-N 2 2 290.367 0.168 20 0 CCADLP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001119592541 856763024 /nfs/dbraw/zinc/76/30/24/856763024.db2.gz HGUAPZZSPXDDMZ-VXGBXAGGSA-N 2 2 250.346 0.941 20 0 CCADLP Cn1ccnc1C[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001119682911 856834049 /nfs/dbraw/zinc/83/40/49/856834049.db2.gz VTXUMDXKXMQSBW-NSHDSACASA-N 2 2 250.346 0.230 20 0 CCADLP Cn1ccnc1C[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001119682911 856834054 /nfs/dbraw/zinc/83/40/54/856834054.db2.gz VTXUMDXKXMQSBW-NSHDSACASA-N 2 2 250.346 0.230 20 0 CCADLP [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)NCCn1cc[nH+]c1 ZINC001120474335 857082723 /nfs/dbraw/zinc/08/27/23/857082723.db2.gz HDDIYBCTLKWQJG-AAEUAGOBSA-N 2 2 263.345 0.406 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+]C[C@@H](O)c1ccccn1 ZINC001120504688 857097933 /nfs/dbraw/zinc/09/79/33/857097933.db2.gz UCWSODDLPDSLGL-CHWSQXEVSA-N 2 2 253.346 0.017 20 0 CCADLP CCOCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001323262498 912229451 /nfs/dbraw/zinc/22/94/51/912229451.db2.gz OOYWKWRAIKOXSR-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP CCOCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001323262498 912229465 /nfs/dbraw/zinc/22/94/65/912229465.db2.gz OOYWKWRAIKOXSR-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP CCOCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001323262498 912229482 /nfs/dbraw/zinc/22/94/82/912229482.db2.gz OOYWKWRAIKOXSR-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP CCOCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001323262498 912229496 /nfs/dbraw/zinc/22/94/96/912229496.db2.gz OOYWKWRAIKOXSR-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001393046431 912353763 /nfs/dbraw/zinc/35/37/63/912353763.db2.gz JOTRJWZDKVQUMG-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@](C)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001393108605 912394493 /nfs/dbraw/zinc/39/44/93/912394493.db2.gz KCDKDZOUQIMBHK-DOMZBBRYSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@](C)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001393108605 912394498 /nfs/dbraw/zinc/39/44/98/912394498.db2.gz KCDKDZOUQIMBHK-DOMZBBRYSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@](C)(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001393108605 912394519 /nfs/dbraw/zinc/39/45/19/912394519.db2.gz KCDKDZOUQIMBHK-DOMZBBRYSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@](C)(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001393108605 912394540 /nfs/dbraw/zinc/39/45/40/912394540.db2.gz KCDKDZOUQIMBHK-DOMZBBRYSA-N 2 2 294.399 0.958 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001393516598 912620204 /nfs/dbraw/zinc/62/02/04/912620204.db2.gz XTFVWPVWYKHDTG-AWEZNQCLSA-N 2 2 283.416 0.699 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001393516598 912620210 /nfs/dbraw/zinc/62/02/10/912620210.db2.gz XTFVWPVWYKHDTG-AWEZNQCLSA-N 2 2 283.416 0.699 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NCC2([NH2+]CCF)CCC2)no1 ZINC001393545694 912640124 /nfs/dbraw/zinc/64/01/24/912640124.db2.gz JOYFQCSYZGEBKG-UHFFFAOYSA-N 2 2 298.362 0.948 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[N@H+](CCO)CC1 ZINC001393601730 912669888 /nfs/dbraw/zinc/66/98/88/912669888.db2.gz HFTXJSLDQLPLAK-STQMWFEESA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[N@@H+](CCO)CC1 ZINC001393601730 912669899 /nfs/dbraw/zinc/66/98/99/912669899.db2.gz HFTXJSLDQLPLAK-STQMWFEESA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[N@H+](CCO)CC1 ZINC001393601730 912669915 /nfs/dbraw/zinc/66/99/15/912669915.db2.gz HFTXJSLDQLPLAK-STQMWFEESA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[N@@H+](CCO)CC1 ZINC001393601730 912669927 /nfs/dbraw/zinc/66/99/27/912669927.db2.gz HFTXJSLDQLPLAK-STQMWFEESA-N 2 2 294.399 0.551 20 0 CCADLP CCC[NH2+][C@H](C)[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001394334512 913132847 /nfs/dbraw/zinc/13/28/47/913132847.db2.gz QVBDVJPWHJRPCM-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N(C)C[C@@H](C)[NH2+]C[C@H](C)O ZINC001394505794 913227125 /nfs/dbraw/zinc/22/71/25/913227125.db2.gz YROYFQFPXSGCJQ-NEPJUHHUSA-N 2 2 295.383 0.450 20 0 CCADLP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+][C@H](C)c1csnn1 ZINC001394523365 913237420 /nfs/dbraw/zinc/23/74/20/913237420.db2.gz VCGTZLCSXVHSCV-GHMZBOCLSA-N 2 2 299.444 0.987 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC1CC1 ZINC001394628924 913325745 /nfs/dbraw/zinc/32/57/45/913325745.db2.gz BMSJQTSRIDGYII-YNEHKIRRSA-N 2 2 292.383 0.000 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](CO)[NH2+]CC1CCC1 ZINC001394635117 913330836 /nfs/dbraw/zinc/33/08/36/913330836.db2.gz BCWLUFHFNXSKSE-FZMZJTMJSA-N 2 2 294.399 0.455 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](CO)[NH2+]CC1CCC1 ZINC001394635117 913330856 /nfs/dbraw/zinc/33/08/56/913330856.db2.gz BCWLUFHFNXSKSE-FZMZJTMJSA-N 2 2 294.399 0.455 20 0 CCADLP CCC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C1 ZINC001083206553 891558182 /nfs/dbraw/zinc/55/81/82/891558182.db2.gz HNKOUYQWBOWWRP-QWHCGFSZSA-N 2 2 278.356 0.274 20 0 CCADLP CCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C1 ZINC001083206553 891558202 /nfs/dbraw/zinc/55/82/02/891558202.db2.gz HNKOUYQWBOWWRP-QWHCGFSZSA-N 2 2 278.356 0.274 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@@H+](C[C@H](C)O)C1CC1 ZINC001481196066 892294545 /nfs/dbraw/zinc/29/45/45/892294545.db2.gz PRCYVNAPPJODCG-JTQLQIEISA-N 2 2 280.372 0.222 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@H+](C[C@H](C)O)C1CC1 ZINC001481196066 892294563 /nfs/dbraw/zinc/29/45/63/892294563.db2.gz PRCYVNAPPJODCG-JTQLQIEISA-N 2 2 280.372 0.222 20 0 CCADLP CC(C)[NH2+]CCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001481249279 892433893 /nfs/dbraw/zinc/43/38/93/892433893.db2.gz BIZDNQMNGSNPAO-GFCCVEGCSA-N 2 2 264.373 0.902 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C(C)(C)C[NH3+] ZINC001342195225 892713193 /nfs/dbraw/zinc/71/31/93/892713193.db2.gz AAOGLJJYFLBDMJ-NSHDSACASA-N 2 2 257.378 0.150 20 0 CCADLP C[NH+](C)CCCCC(=O)NCC1C[NH+](CCF)C1 ZINC001481656569 892972618 /nfs/dbraw/zinc/97/26/18/892972618.db2.gz VNRXXHNUJQSKSA-UHFFFAOYSA-N 2 2 259.369 0.736 20 0 CCADLP CC[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]C[C@@H]1CCOC1 ZINC001481818085 893182826 /nfs/dbraw/zinc/18/28/26/893182826.db2.gz FAWLWHDTFAGMQR-STQMWFEESA-N 2 2 294.399 0.863 20 0 CCADLP CC[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]C[C@@H]1CCOC1 ZINC001481818085 893182835 /nfs/dbraw/zinc/18/28/35/893182835.db2.gz FAWLWHDTFAGMQR-STQMWFEESA-N 2 2 294.399 0.863 20 0 CCADLP CC[N@@H+]1CC[C@H]1C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC001362040636 893498131 /nfs/dbraw/zinc/49/81/31/893498131.db2.gz NQDNMFRWGLTXNC-KGLIPLIRSA-N 2 2 282.432 0.080 20 0 CCADLP CC[N@H+]1CC[C@H]1C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC001362040636 893498138 /nfs/dbraw/zinc/49/81/38/893498138.db2.gz NQDNMFRWGLTXNC-KGLIPLIRSA-N 2 2 282.432 0.080 20 0 CCADLP COC[C@H](C)OC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC001364034195 893903164 /nfs/dbraw/zinc/90/31/64/893903164.db2.gz XZFNGRDVTTVFLS-LBPRGKRZSA-N 2 2 275.393 0.631 20 0 CCADLP COC[C@H](C)OC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC001364034195 893903173 /nfs/dbraw/zinc/90/31/73/893903173.db2.gz XZFNGRDVTTVFLS-LBPRGKRZSA-N 2 2 275.393 0.631 20 0 CCADLP CC(C)C[NH2+]C[C@H](O)CNC(=O)CCc1[nH+]ccn1C ZINC001482753115 894554626 /nfs/dbraw/zinc/55/46/26/894554626.db2.gz QLCFJTDOECBBFJ-LBPRGKRZSA-N 2 2 282.388 0.075 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC/C=C\C[NH2+]CCO)c[nH+]1 ZINC001483025813 894811416 /nfs/dbraw/zinc/81/14/16/894811416.db2.gz ZOOFQHZSSSVOOD-PLNGDYQASA-N 2 2 280.372 0.181 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1cnon1 ZINC001483026460 894815075 /nfs/dbraw/zinc/81/50/75/894815075.db2.gz LUEBPHCEOPGEAH-SCOBNMCVSA-N 2 2 293.371 0.316 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1cnon1 ZINC001483026460 894815086 /nfs/dbraw/zinc/81/50/86/894815086.db2.gz LUEBPHCEOPGEAH-SCOBNMCVSA-N 2 2 293.371 0.316 20 0 CCADLP C[C@@H](CC(=O)N1CC[C@@H](CC[NH2+]CCO)C1)n1cc[nH+]c1 ZINC001326384821 913925653 /nfs/dbraw/zinc/92/56/53/913925653.db2.gz VRIBLOVLUXAMGY-UONOGXRCSA-N 2 2 294.399 0.655 20 0 CCADLP CC(C)CNC(=O)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC001326458739 913968920 /nfs/dbraw/zinc/96/89/20/913968920.db2.gz JRHUCWYKYLSPOZ-JTQLQIEISA-N 2 2 250.346 0.917 20 0 CCADLP CC(C)[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CC(N)=O)[NH+]1CCCC1 ZINC001483421305 895554220 /nfs/dbraw/zinc/55/42/20/895554220.db2.gz PQIPTIXIHINEER-JSGCOSHPSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CC(N)=O)[NH+]1CCCC1 ZINC001483421305 895554232 /nfs/dbraw/zinc/55/42/32/895554232.db2.gz PQIPTIXIHINEER-JSGCOSHPSA-N 2 2 298.431 0.029 20 0 CCADLP C[C@H](C[N@H+](C)C[C@@H]1CCOC1)NC(=O)Cn1cc[nH+]c1 ZINC001483427458 895559902 /nfs/dbraw/zinc/55/99/02/895559902.db2.gz NDCCDJNWRTUDEN-OLZOCXBDSA-N 2 2 280.372 0.356 20 0 CCADLP C[C@H](C[N@@H+](C)C[C@@H]1CCOC1)NC(=O)Cn1cc[nH+]c1 ZINC001483427458 895559914 /nfs/dbraw/zinc/55/99/14/895559914.db2.gz NDCCDJNWRTUDEN-OLZOCXBDSA-N 2 2 280.372 0.356 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCC[NH2+]CCF ZINC001483496563 895610487 /nfs/dbraw/zinc/61/04/87/895610487.db2.gz AMZKKBSFMFFTEL-NSHDSACASA-N 2 2 270.352 0.996 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCC[NH2+]CCF ZINC001483496563 895610496 /nfs/dbraw/zinc/61/04/96/895610496.db2.gz AMZKKBSFMFFTEL-NSHDSACASA-N 2 2 270.352 0.996 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H](C[NH2+]CCCF)C1CC1 ZINC001483590473 895670645 /nfs/dbraw/zinc/67/06/45/895670645.db2.gz OZJHIPAQIOQIFH-LBPRGKRZSA-N 2 2 268.336 0.796 20 0 CCADLP CO[C@@H](C[NH2+]CCN(C)C(=O)Cc1c[nH+]c[nH]1)C1CCC1 ZINC001493708321 895992925 /nfs/dbraw/zinc/99/29/25/895992925.db2.gz GTFHKWHWOGXMOM-AWEZNQCLSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[NH2+]C[C@@]1(C)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001484109396 896197459 /nfs/dbraw/zinc/19/74/59/896197459.db2.gz UPGNAGIZXYIQNF-OAHLLOKOSA-N 2 2 294.399 0.748 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCF)C1 ZINC001484614775 896498666 /nfs/dbraw/zinc/49/86/66/896498666.db2.gz ABPYWGFWVMHBDQ-CHWSQXEVSA-N 2 2 287.379 0.257 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCF)C1 ZINC001484614775 896498678 /nfs/dbraw/zinc/49/86/78/896498678.db2.gz ABPYWGFWVMHBDQ-CHWSQXEVSA-N 2 2 287.379 0.257 20 0 CCADLP COCC[NH2+]C1(CNC(=O)CCc2[nH+]ccn2C)CCC1 ZINC001484644946 896513323 /nfs/dbraw/zinc/51/33/23/896513323.db2.gz XLFKNDRNFAMNFJ-UHFFFAOYSA-N 2 2 294.399 0.628 20 0 CCADLP C[C@@H](O)C[NH2+]C1(CNC(=O)CCc2[nH+]ccn2C)CCC1 ZINC001484644959 896515863 /nfs/dbraw/zinc/51/58/63/896515863.db2.gz XZKNWZJUGIKXIQ-GFCCVEGCSA-N 2 2 294.399 0.362 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@](CO)([NH2+]CCCF)C1 ZINC001484854106 896632889 /nfs/dbraw/zinc/63/28/89/896632889.db2.gz CHPSALOJWPZBBW-CQSZACIVSA-N 2 2 298.362 0.186 20 0 CCADLP COCC[NH2+][C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001484908722 896661967 /nfs/dbraw/zinc/66/19/67/896661967.db2.gz ZPPDETBLCYYDMA-JSGCOSHPSA-N 2 2 294.399 0.436 20 0 CCADLP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)C1 ZINC001326692292 914101463 /nfs/dbraw/zinc/10/14/63/914101463.db2.gz GDMJHMIONRUVKT-CABCVRRESA-N 3 2 266.433 0.308 20 0 CCADLP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)C1 ZINC001326692292 914101472 /nfs/dbraw/zinc/10/14/72/914101472.db2.gz GDMJHMIONRUVKT-CABCVRRESA-N 3 2 266.433 0.308 20 0 CCADLP Cc1noc(C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@@H+](C)C(C)C)n1 ZINC001485228297 896875617 /nfs/dbraw/zinc/87/56/17/896875617.db2.gz CTOCRUVPDSHRTG-MNOVXSKESA-N 2 2 297.403 0.701 20 0 CCADLP Cc1noc(C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)C(C)C)n1 ZINC001485228297 896875631 /nfs/dbraw/zinc/87/56/31/896875631.db2.gz CTOCRUVPDSHRTG-MNOVXSKESA-N 2 2 297.403 0.701 20 0 CCADLP C[C@@H](O)C[NH2+]CC1(NC(=O)Cc2[nH]cc[nH+]2)CCCCC1 ZINC001485456784 897055858 /nfs/dbraw/zinc/05/58/58/897055858.db2.gz FGQMWWABMWDXMO-GFCCVEGCSA-N 2 2 294.399 0.742 20 0 CCADLP C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C1C[NH+](CCCO)C1 ZINC001485508323 897096336 /nfs/dbraw/zinc/09/63/36/897096336.db2.gz BXPBUGQJQSTPPO-NSHDSACASA-N 2 2 280.372 0.161 20 0 CCADLP C[C@H](NC(=O)CCc1c[nH+]c[nH]1)C1C[NH+](CCCO)C1 ZINC001485508323 897096350 /nfs/dbraw/zinc/09/63/50/897096350.db2.gz BXPBUGQJQSTPPO-NSHDSACASA-N 2 2 280.372 0.161 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001485620350 897145615 /nfs/dbraw/zinc/14/56/15/897145615.db2.gz WGQXCMWIWLIFTG-RTCCRHLQSA-N 2 2 266.320 0.216 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC001485620350 897145622 /nfs/dbraw/zinc/14/56/22/897145622.db2.gz WGQXCMWIWLIFTG-RTCCRHLQSA-N 2 2 266.320 0.216 20 0 CCADLP C[C@H](O)C[NH2+]CCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001485745976 897219057 /nfs/dbraw/zinc/21/90/57/897219057.db2.gz XBDYWMVWEPTZEB-QWRGUYRKSA-N 2 2 268.361 0.208 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCCC[C@@H]1C[NH2+]CCCO ZINC001326773488 914157442 /nfs/dbraw/zinc/15/74/42/914157442.db2.gz FKYGXXLFKZHKFS-CYBMUJFWSA-N 2 2 280.372 0.236 20 0 CCADLP CO[C@@H]1C[N@@H+](C(C)C)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001212385058 897783681 /nfs/dbraw/zinc/78/36/81/897783681.db2.gz FRRBHPDVGQNJAQ-CHWSQXEVSA-N 2 2 280.372 0.566 20 0 CCADLP CO[C@@H]1C[N@H+](C(C)C)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001212385058 897783687 /nfs/dbraw/zinc/78/36/87/897783687.db2.gz FRRBHPDVGQNJAQ-CHWSQXEVSA-N 2 2 280.372 0.566 20 0 CCADLP CO[C@@H]1C[N@@H+](C(C)C)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001212385058 897783697 /nfs/dbraw/zinc/78/36/97/897783697.db2.gz FRRBHPDVGQNJAQ-CHWSQXEVSA-N 2 2 280.372 0.566 20 0 CCADLP CO[C@@H]1C[N@H+](C(C)C)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001212385058 897783704 /nfs/dbraw/zinc/78/37/04/897783704.db2.gz FRRBHPDVGQNJAQ-CHWSQXEVSA-N 2 2 280.372 0.566 20 0 CCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCc1c[nH+]cn1C ZINC000529328586 898009757 /nfs/dbraw/zinc/00/97/57/898009757.db2.gz VAAWIOBUFCNOTH-GFCCVEGCSA-N 2 2 265.361 0.560 20 0 CCADLP CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH+]cn1C ZINC001032759391 898121547 /nfs/dbraw/zinc/12/15/47/898121547.db2.gz LFQHHGVOUIFPOV-STQMWFEESA-N 2 2 262.357 0.658 20 0 CCADLP CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH+]cn1C ZINC001032759391 898121552 /nfs/dbraw/zinc/12/15/52/898121552.db2.gz LFQHHGVOUIFPOV-STQMWFEESA-N 2 2 262.357 0.658 20 0 CCADLP CC[C@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078006660 898174701 /nfs/dbraw/zinc/17/47/01/898174701.db2.gz AWFYYEQVEGNCMH-IACUBPJLSA-N 2 2 294.399 0.170 20 0 CCADLP CC[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078006660 898174711 /nfs/dbraw/zinc/17/47/11/898174711.db2.gz AWFYYEQVEGNCMH-IACUBPJLSA-N 2 2 294.399 0.170 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1O ZINC001078080969 898223114 /nfs/dbraw/zinc/22/31/14/898223114.db2.gz MUYYPGYRWNVUQL-ZIAGYGMSSA-N 2 2 292.383 0.222 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1O ZINC001078080969 898223130 /nfs/dbraw/zinc/22/31/30/898223130.db2.gz MUYYPGYRWNVUQL-ZIAGYGMSSA-N 2 2 292.383 0.222 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCF)C1 ZINC001032794977 898314743 /nfs/dbraw/zinc/31/47/43/898314743.db2.gz CBZJIDOUYGGAPV-MELADBBJSA-N 2 2 299.390 0.352 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCF)C1 ZINC001032794977 898314754 /nfs/dbraw/zinc/31/47/54/898314754.db2.gz CBZJIDOUYGGAPV-MELADBBJSA-N 2 2 299.390 0.352 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCF)C1 ZINC001032794977 898314765 /nfs/dbraw/zinc/31/47/65/898314765.db2.gz CBZJIDOUYGGAPV-MELADBBJSA-N 2 2 299.390 0.352 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCF)C1 ZINC001032794977 898314784 /nfs/dbraw/zinc/31/47/84/898314784.db2.gz CBZJIDOUYGGAPV-MELADBBJSA-N 2 2 299.390 0.352 20 0 CCADLP CC(C)[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCCO1 ZINC001078478820 898385379 /nfs/dbraw/zinc/38/53/79/898385379.db2.gz MLLRHXKGWGQVOG-ZDUSSCGKSA-N 2 2 280.372 0.568 20 0 CCADLP C[C@H](CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CCF ZINC001485892503 898490718 /nfs/dbraw/zinc/49/07/18/898490718.db2.gz FQEHHENUZBUPAS-VXGBXAGGSA-N 2 2 282.363 0.852 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1csnn1 ZINC001485961922 898564066 /nfs/dbraw/zinc/56/40/66/898564066.db2.gz VCQKEQMYCZSSKL-NSHDSACASA-N 2 2 299.444 0.815 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1csnn1 ZINC001485961922 898564078 /nfs/dbraw/zinc/56/40/78/898564078.db2.gz VCQKEQMYCZSSKL-NSHDSACASA-N 2 2 299.444 0.815 20 0 CCADLP CO[C@@H](C)C[NH+]1CC([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001409950909 898966201 /nfs/dbraw/zinc/96/62/01/898966201.db2.gz WZSLCRBDWBCOBQ-QWRGUYRKSA-N 2 2 280.372 0.424 20 0 CCADLP C[C@@H](NC(=O)CCc1c[nH+]cn1C)C1C[NH+](C[C@H](C)O)C1 ZINC001409986800 899040471 /nfs/dbraw/zinc/04/04/71/899040471.db2.gz SRTKRCZVQKHMJJ-NWDGAFQWSA-N 2 2 294.399 0.170 20 0 CCADLP C[C@@H](NC(=O)CCc1c[nH+]cn1C)C1C[NH+](CCCO)C1 ZINC001409983318 899040777 /nfs/dbraw/zinc/04/07/77/899040777.db2.gz PYFWIEPFGTYRFC-GFCCVEGCSA-N 2 2 294.399 0.172 20 0 CCADLP CC[C@@H](F)C[NH2+][C@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001410789495 899578387 /nfs/dbraw/zinc/57/83/87/899578387.db2.gz UDBFAMBNJPAPRW-MNOVXSKESA-N 2 2 286.351 0.075 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@@H+]1CCCO ZINC001397796669 914378694 /nfs/dbraw/zinc/37/86/94/914378694.db2.gz MDNYXHKXSQTTOQ-KGLIPLIRSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@H+]1CCCO ZINC001397796669 914378709 /nfs/dbraw/zinc/37/87/09/914378709.db2.gz MDNYXHKXSQTTOQ-KGLIPLIRSA-N 2 2 294.399 0.625 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]Cc1ccns1 ZINC001134397445 899833555 /nfs/dbraw/zinc/83/35/55/899833555.db2.gz NHHNHGIEJIDXBJ-UHFFFAOYSA-N 2 2 265.342 0.315 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@H]1C ZINC001489314837 900464413 /nfs/dbraw/zinc/46/44/13/900464413.db2.gz YKQRKMQGFYHVDB-MCIONIFRSA-N 2 2 294.399 0.623 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@H]1C ZINC001489314837 900464417 /nfs/dbraw/zinc/46/44/17/900464417.db2.gz YKQRKMQGFYHVDB-MCIONIFRSA-N 2 2 294.399 0.623 20 0 CCADLP C[C@H]([NH2+]CCO)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001490306093 900594556 /nfs/dbraw/zinc/59/45/56/900594556.db2.gz NGGXURUESMLYKD-WCQYABFASA-N 2 2 280.372 0.304 20 0 CCADLP CC(C)C[NH2+]C[C@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001320226518 900918294 /nfs/dbraw/zinc/91/82/94/900918294.db2.gz DENJEJVUBFKMGF-LBPRGKRZSA-N 2 2 268.361 0.065 20 0 CCADLP CC(C)C[NH2+]C[C@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001320226518 900918301 /nfs/dbraw/zinc/91/83/01/900918301.db2.gz DENJEJVUBFKMGF-LBPRGKRZSA-N 2 2 268.361 0.065 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC001412265901 901609889 /nfs/dbraw/zinc/60/98/89/901609889.db2.gz CPCOUMBSZVJDCB-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC001412265901 901609898 /nfs/dbraw/zinc/60/98/98/901609898.db2.gz CPCOUMBSZVJDCB-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001412639753 901895084 /nfs/dbraw/zinc/89/50/84/901895084.db2.gz OMIVCIWBHANJDI-ZIAGYGMSSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001412639753 901895096 /nfs/dbraw/zinc/89/50/96/901895096.db2.gz OMIVCIWBHANJDI-ZIAGYGMSSA-N 2 2 283.416 0.555 20 0 CCADLP [NH3+]CCC1CC[NH+](Cc2nnc3n2CCOC3)CC1 ZINC001326799639 901902801 /nfs/dbraw/zinc/90/28/01/901902801.db2.gz DZTFKDQVOXULDV-UHFFFAOYSA-N 2 2 265.361 0.369 20 0 CCADLP CC[N@H+](CCNC(=O)Cc1c[nH+]cn1C)C[C@@H]1CCOC1 ZINC001377360776 904800565 /nfs/dbraw/zinc/80/05/65/904800565.db2.gz MRMWIQWKHVMLNQ-ZDUSSCGKSA-N 2 2 294.399 0.437 20 0 CCADLP CC[N@@H+](CCNC(=O)Cc1c[nH+]cn1C)C[C@@H]1CCOC1 ZINC001377360776 904800582 /nfs/dbraw/zinc/80/05/82/904800582.db2.gz MRMWIQWKHVMLNQ-ZDUSSCGKSA-N 2 2 294.399 0.437 20 0 CCADLP CCC[N@H+](CCF)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001377470903 904918307 /nfs/dbraw/zinc/91/83/07/904918307.db2.gz DMWSPLADJIMPDO-GFCCVEGCSA-N 2 2 275.368 0.115 20 0 CCADLP CCC[N@@H+](CCF)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001377470903 904918325 /nfs/dbraw/zinc/91/83/25/904918325.db2.gz DMWSPLADJIMPDO-GFCCVEGCSA-N 2 2 275.368 0.115 20 0 CCADLP CCC[NH+](CCF)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001377470903 904918345 /nfs/dbraw/zinc/91/83/45/904918345.db2.gz DMWSPLADJIMPDO-GFCCVEGCSA-N 2 2 275.368 0.115 20 0 CCADLP CCC[NH+](CCF)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001377470903 904918363 /nfs/dbraw/zinc/91/83/63/904918363.db2.gz DMWSPLADJIMPDO-GFCCVEGCSA-N 2 2 275.368 0.115 20 0 CCADLP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)c1csnn1 ZINC001377583743 905019680 /nfs/dbraw/zinc/01/96/80/905019680.db2.gz APHDCMDOLIQECL-PWSUYJOCSA-N 2 2 297.428 0.741 20 0 CCADLP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C)c1csnn1 ZINC001377583743 905019700 /nfs/dbraw/zinc/01/97/00/905019700.db2.gz APHDCMDOLIQECL-PWSUYJOCSA-N 2 2 297.428 0.741 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1nc(C)no1 ZINC001377885414 905213780 /nfs/dbraw/zinc/21/37/80/905213780.db2.gz RENPVIZMXDCMAO-GHMZBOCLSA-N 2 2 297.403 0.703 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1nc(C)no1 ZINC001377885414 905213797 /nfs/dbraw/zinc/21/37/97/905213797.db2.gz RENPVIZMXDCMAO-GHMZBOCLSA-N 2 2 297.403 0.703 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC1=CC[N@H+](C[C@H](C)O)CC1 ZINC001284985726 905521143 /nfs/dbraw/zinc/52/11/43/905521143.db2.gz JVWAXKFNABZQRY-NSHDSACASA-N 2 2 292.383 0.390 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC1=CC[N@@H+](C[C@H](C)O)CC1 ZINC001284985726 905521158 /nfs/dbraw/zinc/52/11/58/905521158.db2.gz JVWAXKFNABZQRY-NSHDSACASA-N 2 2 292.383 0.390 20 0 CCADLP CC(C)[C@@H](C(=O)N[C@@H](C)C1C[NH+](CCF)C1)[NH+](C)C ZINC001378578120 905692037 /nfs/dbraw/zinc/69/20/37/905692037.db2.gz BKAKGIHRWULOGD-AAEUAGOBSA-N 2 2 273.396 0.979 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1ccn(C)n1 ZINC001378631278 905718655 /nfs/dbraw/zinc/71/86/55/905718655.db2.gz FWNVKVMFIHHFAY-LBPRGKRZSA-N 2 2 290.371 0.159 20 0 CCADLP C[C@@H](O)C[NH2+]C1(CNC(=O)CCc2c[nH]c[nH+]2)CCCC1 ZINC001378690364 905765318 /nfs/dbraw/zinc/76/53/18/905765318.db2.gz FOTSYPAOBKDWJI-GFCCVEGCSA-N 2 2 294.399 0.742 20 0 CCADLP C[C@@H](O)C[NH2+]C1(CNC(=O)CCc2c[nH+]c[nH]2)CCCC1 ZINC001378690364 905765325 /nfs/dbraw/zinc/76/53/25/905765325.db2.gz FOTSYPAOBKDWJI-GFCCVEGCSA-N 2 2 294.399 0.742 20 0 CCADLP Cc1nnc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001378754284 905796964 /nfs/dbraw/zinc/79/69/64/905796964.db2.gz MNHOHODECBXWNC-JQWIXIFHSA-N 2 2 295.387 0.409 20 0 CCADLP Cc1nnc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001378754284 905796972 /nfs/dbraw/zinc/79/69/72/905796972.db2.gz MNHOHODECBXWNC-JQWIXIFHSA-N 2 2 295.387 0.409 20 0 CCADLP CCC[NH2+][C@H](C)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001378766202 905803226 /nfs/dbraw/zinc/80/32/26/905803226.db2.gz RUSMPMUHGOBDJQ-VXGBXAGGSA-N 2 2 280.372 0.568 20 0 CCADLP COCC[N@H+](C)CCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001379071896 905972191 /nfs/dbraw/zinc/97/21/91/905972191.db2.gz BKVWABDBGAEJNP-UHFFFAOYSA-N 2 2 290.367 0.985 20 0 CCADLP COCC[N@@H+](C)CCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001379071896 905972204 /nfs/dbraw/zinc/97/22/04/905972204.db2.gz BKVWABDBGAEJNP-UHFFFAOYSA-N 2 2 290.367 0.985 20 0 CCADLP CN(CC[N@H+](C)C[C@H]1CCCOC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001379113973 906001083 /nfs/dbraw/zinc/00/10/83/906001083.db2.gz DCWYRKUBCUYZCN-CYBMUJFWSA-N 2 2 294.399 0.769 20 0 CCADLP CN(CC[N@@H+](C)C[C@H]1CCCOC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001379113973 906001101 /nfs/dbraw/zinc/00/11/01/906001101.db2.gz DCWYRKUBCUYZCN-CYBMUJFWSA-N 2 2 294.399 0.769 20 0 CCADLP C[C@@H](O)CCC[N@H+](C)CCN(C)C(=O)Cc1c[nH+]cn1C ZINC001379125123 906011330 /nfs/dbraw/zinc/01/13/30/906011330.db2.gz JFZNMKLSMKZHLM-CYBMUJFWSA-N 2 2 296.415 0.514 20 0 CCADLP C[C@@H](O)CCC[N@@H+](C)CCN(C)C(=O)Cc1c[nH+]cn1C ZINC001379125123 906011342 /nfs/dbraw/zinc/01/13/42/906011342.db2.gz JFZNMKLSMKZHLM-CYBMUJFWSA-N 2 2 296.415 0.514 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001333631063 906068210 /nfs/dbraw/zinc/06/82/10/906068210.db2.gz NBWSFVLHNZCEPD-SNVBAGLBSA-N 2 2 252.362 0.898 20 0 CCADLP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]C[C@H]1CCOC1 ZINC001379322638 906142057 /nfs/dbraw/zinc/14/20/57/906142057.db2.gz IBDIVVGXVMXFCD-QWHCGFSZSA-N 2 2 280.372 0.356 20 0 CCADLP Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C)o1 ZINC001379552089 906348181 /nfs/dbraw/zinc/34/81/81/906348181.db2.gz LBRPIUOUPKZXSB-ZYHUDNBSSA-N 2 2 295.387 0.409 20 0 CCADLP CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001379562912 906351579 /nfs/dbraw/zinc/35/15/79/906351579.db2.gz KICFWNAFSHECAO-RYUDHWBXSA-N 2 2 295.387 0.065 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CCC[N@@H+]1CCO ZINC001379657466 906417459 /nfs/dbraw/zinc/41/74/59/906417459.db2.gz RHUOYWWMPKTCPB-KGLIPLIRSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CCC[N@H+]1CCO ZINC001379657466 906417465 /nfs/dbraw/zinc/41/74/65/906417465.db2.gz RHUOYWWMPKTCPB-KGLIPLIRSA-N 2 2 294.399 0.625 20 0 CCADLP CC(C)[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001379842225 906500112 /nfs/dbraw/zinc/50/01/12/906500112.db2.gz MAXTYYFMMAGOJV-YPMHNXCESA-N 2 2 282.388 0.406 20 0 CCADLP CC(C)[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001379842225 906500120 /nfs/dbraw/zinc/50/01/20/906500120.db2.gz MAXTYYFMMAGOJV-YPMHNXCESA-N 2 2 282.388 0.406 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001380030423 906599455 /nfs/dbraw/zinc/59/94/55/906599455.db2.gz LPTJCZYOSJRJQN-OCCSQVGLSA-N 2 2 294.399 0.578 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001380030423 906599465 /nfs/dbraw/zinc/59/94/65/906599465.db2.gz LPTJCZYOSJRJQN-OCCSQVGLSA-N 2 2 294.399 0.578 20 0 CCADLP CC(C)OCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001380223140 906683230 /nfs/dbraw/zinc/68/32/30/906683230.db2.gz ALSKDPUWLSIVBQ-UKRRQHHQSA-N 2 2 297.443 0.894 20 0 CCADLP CC(C)OCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001380223140 906683234 /nfs/dbraw/zinc/68/32/34/906683234.db2.gz ALSKDPUWLSIVBQ-UKRRQHHQSA-N 2 2 297.443 0.894 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCO)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001380267287 906706248 /nfs/dbraw/zinc/70/62/48/906706248.db2.gz LDBAVZJYFHAFKN-KGLIPLIRSA-N 2 2 294.399 0.625 20 0 CCADLP CC1(CNC(=O)CCc2c[nH]c[nH+]2)CC[NH+](CCO)CC1 ZINC001380439351 906771860 /nfs/dbraw/zinc/77/18/60/906771860.db2.gz LJUPPFIFQXKQPH-UHFFFAOYSA-N 2 2 294.399 0.553 20 0 CCADLP CC1(CNC(=O)CCc2c[nH+]c[nH]2)CC[NH+](CCO)CC1 ZINC001380439351 906771871 /nfs/dbraw/zinc/77/18/71/906771871.db2.gz LJUPPFIFQXKQPH-UHFFFAOYSA-N 2 2 294.399 0.553 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1([NH2+]CC2CC2)CCOCC1 ZINC001380507935 906790926 /nfs/dbraw/zinc/79/09/26/906790926.db2.gz PMZIWHCDTAOBSX-UHFFFAOYSA-N 2 2 292.383 0.548 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+](C)C)o1 ZINC001381419807 907198946 /nfs/dbraw/zinc/19/89/46/907198946.db2.gz LYJVYMBIBDEGFW-UWVGGRQHSA-N 2 2 283.376 0.313 20 0 CCADLP CC[C@@H](C[NH2+][C@H](C)CNC(=O)Cc1[nH]cc[nH+]1)OC ZINC001491625015 907459248 /nfs/dbraw/zinc/45/92/48/907459248.db2.gz QFQHUUVKVLPTEO-MNOVXSKESA-N 2 2 268.361 0.472 20 0 CCADLP CC[C@@H](C[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1)OC ZINC001491693738 907508177 /nfs/dbraw/zinc/50/81/77/907508177.db2.gz IUUHWMYTKGALKH-NEPJUHHUSA-N 2 2 268.361 0.402 20 0 CCADLP CC[C@@H](C[NH2+][C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1)OC ZINC001382166571 907581956 /nfs/dbraw/zinc/58/19/56/907581956.db2.gz WOYLCTJYEWLKRZ-STQMWFEESA-N 2 2 282.388 0.745 20 0 CCADLP C[C@@H](O)CCC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001491858894 907608992 /nfs/dbraw/zinc/60/89/92/907608992.db2.gz MDOSXXDMDMLCDC-ZIAGYGMSSA-N 2 2 294.399 0.482 20 0 CCADLP C[C@H](O)CCC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001491858893 907609527 /nfs/dbraw/zinc/60/95/27/907609527.db2.gz MDOSXXDMDMLCDC-UONOGXRCSA-N 2 2 294.399 0.482 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CC1CCC1 ZINC001317283279 908032071 /nfs/dbraw/zinc/03/20/71/908032071.db2.gz MMSIHLKOWIIMPZ-LLVKDONJSA-N 2 2 264.373 0.857 20 0 CCADLP C[C@@H](O)C[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001316829746 908789803 /nfs/dbraw/zinc/78/98/03/908789803.db2.gz WKBWYGLJIULFRG-IJLUTSLNSA-N 2 2 280.372 0.332 20 0 CCADLP C[C@@H](O)C[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001316829746 908789817 /nfs/dbraw/zinc/78/98/17/908789817.db2.gz WKBWYGLJIULFRG-IJLUTSLNSA-N 2 2 280.372 0.332 20 0 CCADLP C[C@@H](O)C[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001316829746 908789833 /nfs/dbraw/zinc/78/98/33/908789833.db2.gz WKBWYGLJIULFRG-IJLUTSLNSA-N 2 2 280.372 0.332 20 0 CCADLP C[C@@H](O)C[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001316829746 908789848 /nfs/dbraw/zinc/78/98/48/908789848.db2.gz WKBWYGLJIULFRG-IJLUTSLNSA-N 2 2 280.372 0.332 20 0 CCADLP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@H+](CCF)C2)CC1 ZINC001316985584 908901105 /nfs/dbraw/zinc/90/11/05/908901105.db2.gz KZXQFMDWCAAMPH-LLVKDONJSA-N 2 2 257.353 0.488 20 0 CCADLP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@@H+](CCF)C2)CC1 ZINC001316985584 908901118 /nfs/dbraw/zinc/90/11/18/908901118.db2.gz KZXQFMDWCAAMPH-LLVKDONJSA-N 2 2 257.353 0.488 20 0 CCADLP CCCCOCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001317064941 908954441 /nfs/dbraw/zinc/95/44/41/908954441.db2.gz LYOOTRHNRKZBMZ-ZDUSSCGKSA-N 2 2 294.399 0.959 20 0 CCADLP CCOCC[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001317113427 908990053 /nfs/dbraw/zinc/99/00/53/908990053.db2.gz OFXUXLYLDFSXDX-BETUJISGSA-N 2 2 280.372 0.616 20 0 CCADLP CCOCC[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001317113427 908990061 /nfs/dbraw/zinc/99/00/61/908990061.db2.gz OFXUXLYLDFSXDX-BETUJISGSA-N 2 2 280.372 0.616 20 0 CCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001318420780 909749470 /nfs/dbraw/zinc/74/94/70/909749470.db2.gz BFVJRQVOBOCSCY-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP CC[N@H+]1CC[C@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001318420780 909749485 /nfs/dbraw/zinc/74/94/85/909749485.db2.gz BFVJRQVOBOCSCY-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC001338609547 921526406 /nfs/dbraw/zinc/52/64/06/921526406.db2.gz XGXSZHHKTHLTIW-ZJUUUORDSA-N 2 2 251.334 0.347 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC(CC[NH2+]CCO)CC1 ZINC001318916840 909919433 /nfs/dbraw/zinc/91/94/33/909919433.db2.gz HVZUBBMYDAEBET-UHFFFAOYSA-N 2 2 280.372 0.163 20 0 CCADLP CN(CC1CC1)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001338688790 921545787 /nfs/dbraw/zinc/54/57/87/921545787.db2.gz VMUCSCCVHRJSKE-UHFFFAOYSA-N 2 2 254.378 0.461 20 0 CCADLP C[C@@H](O)CCC[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC001319559333 910204474 /nfs/dbraw/zinc/20/44/74/910204474.db2.gz DQJHNMIZPNJEHM-CHWSQXEVSA-N 2 2 296.415 0.560 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1[NH2+]CCCO ZINC001319707643 910264551 /nfs/dbraw/zinc/26/45/51/910264551.db2.gz GAWGHZXBNMXXCU-VXGBXAGGSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@@H]([NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)c1csnn1 ZINC001390464174 910443039 /nfs/dbraw/zinc/44/30/39/910443039.db2.gz CONMZGVZCZWEQI-VHSXEESVSA-N 2 2 285.417 0.645 20 0 CCADLP CC[N@H+](CCNC(=O)C(C)(C)n1c[nH+]c(C)c1)C[C@H](C)O ZINC001390915782 910778833 /nfs/dbraw/zinc/77/88/33/910778833.db2.gz FFLWSPJRPDELGK-ZDUSSCGKSA-N 2 2 296.415 0.746 20 0 CCADLP CC[N@@H+](CCNC(=O)C(C)(C)n1c[nH+]c(C)c1)C[C@H](C)O ZINC001390915782 910778846 /nfs/dbraw/zinc/77/88/46/910778846.db2.gz FFLWSPJRPDELGK-ZDUSSCGKSA-N 2 2 296.415 0.746 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CCC[N@@H+]1CC1CC1 ZINC001391073125 910847959 /nfs/dbraw/zinc/84/79/59/910847959.db2.gz WGVVZJLVZMGYHK-CYBMUJFWSA-N 2 2 276.384 0.953 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CCC[N@H+]1CC1CC1 ZINC001391073125 910847962 /nfs/dbraw/zinc/84/79/62/910847962.db2.gz WGVVZJLVZMGYHK-CYBMUJFWSA-N 2 2 276.384 0.953 20 0 CCADLP CCC[N@H+](CCO)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001391128094 910902215 /nfs/dbraw/zinc/90/22/15/910902215.db2.gz HBVMXIBTFWNGQL-ZDUSSCGKSA-N 2 2 294.399 0.266 20 0 CCADLP CCC[N@@H+](CCO)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001391128094 910902228 /nfs/dbraw/zinc/90/22/28/910902228.db2.gz HBVMXIBTFWNGQL-ZDUSSCGKSA-N 2 2 294.399 0.266 20 0 CCADLP CCN(CC[NH2+]C[C@H](C)OC)C(=O)Cc1c[nH+]cn1C ZINC001320891599 910921328 /nfs/dbraw/zinc/92/13/28/910921328.db2.gz NDUMEUYOKHGYML-LBPRGKRZSA-N 2 2 282.388 0.436 20 0 CCADLP C[C@@H](CC(=O)NCC[C@H]1CC[N@H+](CCO)C1)n1cc[nH+]c1 ZINC001391315769 911036470 /nfs/dbraw/zinc/03/64/70/911036470.db2.gz HFDDPYRMIKFOSA-KBPBESRZSA-N 2 2 294.399 0.655 20 0 CCADLP C[C@@H](CC(=O)NCC[C@H]1CC[N@@H+](CCO)C1)n1cc[nH+]c1 ZINC001391315769 911036488 /nfs/dbraw/zinc/03/64/88/911036488.db2.gz HFDDPYRMIKFOSA-KBPBESRZSA-N 2 2 294.399 0.655 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC1C[NH+](CCn2cccn2)C1 ZINC001391461231 911148392 /nfs/dbraw/zinc/14/83/92/911148392.db2.gz NNIKJXOIBWRZDY-UHFFFAOYSA-N 2 2 279.388 0.024 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC1C[NH+](CCn2cccn2)C1 ZINC001391461231 911148404 /nfs/dbraw/zinc/14/84/04/911148404.db2.gz NNIKJXOIBWRZDY-UHFFFAOYSA-N 2 2 279.388 0.024 20 0 CCADLP C[NH+](C)C[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001321462278 911312677 /nfs/dbraw/zinc/31/26/77/911312677.db2.gz QOZYHJPIEZCQNL-LLVKDONJSA-N 2 2 250.346 0.752 20 0 CCADLP C[C@@H](C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2)n1cc[nH+]c1 ZINC001321718191 911460384 /nfs/dbraw/zinc/46/03/84/911460384.db2.gz KMIFCVQAEVODTN-WCQYABFASA-N 2 2 262.357 0.997 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]Cc1nccn1C ZINC001391935908 911467603 /nfs/dbraw/zinc/46/76/03/911467603.db2.gz YQSKBINRRMZEKR-NSHDSACASA-N 2 2 290.371 0.228 20 0 CCADLP CC[C@@H](C[N@H+](C)CCN(C)C(=O)Cc1c[nH+]c[nH]1)OC ZINC001392304137 911714030 /nfs/dbraw/zinc/71/40/30/911714030.db2.gz MMSXKSHMMKVXGQ-ZDUSSCGKSA-N 2 2 282.388 0.767 20 0 CCADLP CC[C@@H](C[N@@H+](C)CCN(C)C(=O)Cc1c[nH+]c[nH]1)OC ZINC001392304137 911714048 /nfs/dbraw/zinc/71/40/48/911714048.db2.gz MMSXKSHMMKVXGQ-ZDUSSCGKSA-N 2 2 282.388 0.767 20 0 CCADLP CCN(CC[NH2+][C@H](C)C(N)=O)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001392455216 911816944 /nfs/dbraw/zinc/81/69/44/911816944.db2.gz RTJMECWUTRNUIQ-NWDGAFQWSA-N 2 2 295.387 0.146 20 0 CCADLP Cc1cc(C[NH2+]C[C@@H](C)NC(=O)Cn2cc[nH+]c2)nn1C ZINC001392537558 911900437 /nfs/dbraw/zinc/90/04/37/911900437.db2.gz MXOJBXGTZWTPCE-LLVKDONJSA-N 2 2 290.371 0.220 20 0 CCADLP Cc1cnc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001398867024 914893173 /nfs/dbraw/zinc/89/31/73/914893173.db2.gz DUEHUKACMHHWRU-JQWIXIFHSA-N 2 2 280.372 0.672 20 0 CCADLP Cc1cnc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001398867024 914893196 /nfs/dbraw/zinc/89/31/96/914893196.db2.gz DUEHUKACMHHWRU-JQWIXIFHSA-N 2 2 280.372 0.672 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]CC1CC1 ZINC001398975262 914979522 /nfs/dbraw/zinc/97/95/22/914979522.db2.gz XMFIVZPTCHCQJD-WCQYABFASA-N 2 2 276.384 0.950 20 0 CCADLP CC[NH2+][C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001417987346 921747928 /nfs/dbraw/zinc/74/79/28/921747928.db2.gz YQKXMAXEMKZONE-JSGCOSHPSA-N 2 2 276.384 0.950 20 0 CCADLP COc1cc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])ccc1F ZINC001328412655 915178393 /nfs/dbraw/zinc/17/83/93/915178393.db2.gz KRNPIDUKKLCMHT-LBPRGKRZSA-N 2 2 267.348 0.909 20 0 CCADLP COc1cc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])ccc1F ZINC001328412655 915178404 /nfs/dbraw/zinc/17/84/04/915178404.db2.gz KRNPIDUKKLCMHT-LBPRGKRZSA-N 2 2 267.348 0.909 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[NH2+]1 ZINC001328646449 915328798 /nfs/dbraw/zinc/32/87/98/915328798.db2.gz SCPWVPRFXRZHEF-IJLUTSLNSA-N 2 2 262.357 0.702 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC[NH2+]1 ZINC001328646453 915329410 /nfs/dbraw/zinc/32/94/10/915329410.db2.gz SCPWVPRFXRZHEF-WOPDTQHZSA-N 2 2 262.357 0.702 20 0 CCADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](CCCO)C1 ZINC001400162815 915593563 /nfs/dbraw/zinc/59/35/63/915593563.db2.gz PYXJUHVFYGRXSO-AWEZNQCLSA-N 2 2 294.399 0.648 20 0 CCADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001400162815 915593580 /nfs/dbraw/zinc/59/35/80/915593580.db2.gz PYXJUHVFYGRXSO-AWEZNQCLSA-N 2 2 294.399 0.648 20 0 CCADLP CC(C)C[C@H](C(=O)N[C@H]1CC[N@H+](CCO)C1)n1cc[nH+]c1 ZINC001400610314 915827098 /nfs/dbraw/zinc/82/70/98/915827098.db2.gz BCNPRJVBCZJSEC-UONOGXRCSA-N 2 2 294.399 0.653 20 0 CCADLP CC(C)C[C@H](C(=O)N[C@H]1CC[N@@H+](CCO)C1)n1cc[nH+]c1 ZINC001400610314 915827113 /nfs/dbraw/zinc/82/71/13/915827113.db2.gz BCNPRJVBCZJSEC-UONOGXRCSA-N 2 2 294.399 0.653 20 0 CCADLP OC[C@@H](CCF)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC001329939958 916295171 /nfs/dbraw/zinc/29/51/71/916295171.db2.gz JRLCFIHBOYUMFA-OLZOCXBDSA-N 2 2 260.353 0.550 20 0 CCADLP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001329976422 916330609 /nfs/dbraw/zinc/33/06/09/916330609.db2.gz DLFPGEJASGGKSM-UWVGGRQHSA-N 2 2 251.334 0.168 20 0 CCADLP CCc1noc([C@@H](C)[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001401700145 916489419 /nfs/dbraw/zinc/48/94/19/916489419.db2.gz OACLLYZONGNHEP-WDEREUQCSA-N 2 2 297.403 0.739 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)Cc1cnnn1C ZINC001401797777 916597230 /nfs/dbraw/zinc/59/72/30/916597230.db2.gz NAXVWJCQWYBZDD-LBPRGKRZSA-N 2 2 296.419 0.093 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)Cc1cnnn1C ZINC001401797777 916597239 /nfs/dbraw/zinc/59/72/39/916597239.db2.gz NAXVWJCQWYBZDD-LBPRGKRZSA-N 2 2 296.419 0.093 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)Cc1cnnn1C ZINC001401797777 916597253 /nfs/dbraw/zinc/59/72/53/916597253.db2.gz NAXVWJCQWYBZDD-LBPRGKRZSA-N 2 2 296.419 0.093 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)Cc1cnnn1C ZINC001401797777 916597267 /nfs/dbraw/zinc/59/72/67/916597267.db2.gz NAXVWJCQWYBZDD-LBPRGKRZSA-N 2 2 296.419 0.093 20 0 CCADLP CC(C)C[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CCO)n1cc[nH+]c1 ZINC001401892781 916666371 /nfs/dbraw/zinc/66/63/71/916666371.db2.gz JEFWCHPMGZXKAD-UONOGXRCSA-N 2 2 294.399 0.653 20 0 CCADLP CC(C)C[C@H](C(=O)NC[C@@H]1CC[N@H+]1CCO)n1cc[nH+]c1 ZINC001401892781 916666379 /nfs/dbraw/zinc/66/63/79/916666379.db2.gz JEFWCHPMGZXKAD-UONOGXRCSA-N 2 2 294.399 0.653 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CC[N@@H+]1CCO ZINC001401904777 916677190 /nfs/dbraw/zinc/67/71/90/916677190.db2.gz OCYULMOPAXJGTN-GFCCVEGCSA-N 2 2 280.372 0.189 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CC[N@H+]1CCO ZINC001401904777 916677199 /nfs/dbraw/zinc/67/71/99/916677199.db2.gz OCYULMOPAXJGTN-GFCCVEGCSA-N 2 2 280.372 0.189 20 0 CCADLP CC(C)[C@@H](C(=O)N(C)C1C[NH+](C[C@H](C)O)C1)[NH+](C)C ZINC001402020993 916758510 /nfs/dbraw/zinc/75/85/10/916758510.db2.gz SSLYGASPVVJKIV-AAEUAGOBSA-N 2 2 271.405 0.096 20 0 CCADLP CN(C(=O)CCC[NH+](C)C)C1CN(Cc2c[nH+]cn2C)C1 ZINC001402033117 916767779 /nfs/dbraw/zinc/76/77/79/916767779.db2.gz ZMYMCOKBQJECIL-UHFFFAOYSA-N 2 2 293.415 0.405 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001402469823 917037555 /nfs/dbraw/zinc/03/75/55/917037555.db2.gz YBHSCAMHSDDTLI-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)NCCCN1CC[NH+](C)CC1 ZINC001331039811 917040961 /nfs/dbraw/zinc/04/09/61/917040961.db2.gz CASAQMZSKOQRAW-UHFFFAOYSA-N 2 2 294.399 0.414 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC001331039811 917040975 /nfs/dbraw/zinc/04/09/75/917040975.db2.gz CASAQMZSKOQRAW-UHFFFAOYSA-N 2 2 294.399 0.414 20 0 CCADLP Cc1cc(C[NH2+][C@H](C)[C@@H](C)NC(=O)Cn2cc[nH+]c2)on1 ZINC001403020014 917426215 /nfs/dbraw/zinc/42/62/15/917426215.db2.gz BKQQYOMBVOXVJL-VXGBXAGGSA-N 2 2 291.355 0.863 20 0 CCADLP Cc1nc(C[NH2+][C@H](C)CNC(=O)C[NH+]2CCCC2)oc1C ZINC001403125926 917509131 /nfs/dbraw/zinc/50/91/31/917509131.db2.gz BAFHAYXWOZMREI-LLVKDONJSA-N 2 2 294.399 0.982 20 0 CCADLP CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001403154534 917540588 /nfs/dbraw/zinc/54/05/88/917540588.db2.gz HJHALDYLUPPKFT-STQMWFEESA-N 2 2 298.431 0.043 20 0 CCADLP CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001403154534 917540596 /nfs/dbraw/zinc/54/05/96/917540596.db2.gz HJHALDYLUPPKFT-STQMWFEESA-N 2 2 298.431 0.043 20 0 CCADLP CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001403154534 917540601 /nfs/dbraw/zinc/54/06/01/917540601.db2.gz HJHALDYLUPPKFT-STQMWFEESA-N 2 2 298.431 0.043 20 0 CCADLP CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001403154534 917540612 /nfs/dbraw/zinc/54/06/12/917540612.db2.gz HJHALDYLUPPKFT-STQMWFEESA-N 2 2 298.431 0.043 20 0 CCADLP CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001403380990 917687994 /nfs/dbraw/zinc/68/79/94/917687994.db2.gz DTRWXHWSILQNQY-ZSOGYDGISA-N 2 2 276.384 0.977 20 0 CCADLP CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001403380990 917688002 /nfs/dbraw/zinc/68/80/02/917688002.db2.gz DTRWXHWSILQNQY-ZSOGYDGISA-N 2 2 276.384 0.977 20 0 CCADLP CCC[NH2+][C@H](C)[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001403414453 917704164 /nfs/dbraw/zinc/70/41/64/917704164.db2.gz DCQWFNMQEGGSNK-TZMCWYRMSA-N 2 2 294.399 0.958 20 0 CCADLP CCC[NH2+][C@H](C)[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC001403414453 917704175 /nfs/dbraw/zinc/70/41/75/917704175.db2.gz DCQWFNMQEGGSNK-TZMCWYRMSA-N 2 2 294.399 0.958 20 0 CCADLP Cc1cc(C[NH2+][C@H](C)CCNC(=O)Cc2c[nH]c[nH+]2)on1 ZINC001403440780 917716739 /nfs/dbraw/zinc/71/67/39/917716739.db2.gz PGVQDESIGFCLQH-SNVBAGLBSA-N 2 2 291.355 0.933 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)S(C)(=O)=O ZINC001331973866 917772636 /nfs/dbraw/zinc/77/26/36/917772636.db2.gz XWVVCMKLMNETFN-RKDXNWHRSA-N 2 2 257.359 0.290 20 0 CCADLP CC[C@@H](F)C[N@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001403536850 917787247 /nfs/dbraw/zinc/78/72/47/917787247.db2.gz SNTFXMSKXYHPAT-VXGBXAGGSA-N 2 2 275.368 0.113 20 0 CCADLP CC[C@@H](F)C[N@@H+](C)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001403536850 917787253 /nfs/dbraw/zinc/78/72/53/917787253.db2.gz SNTFXMSKXYHPAT-VXGBXAGGSA-N 2 2 275.368 0.113 20 0 CCADLP CC[C@@H](F)C[NH+](C)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001403536850 917787267 /nfs/dbraw/zinc/78/72/67/917787267.db2.gz SNTFXMSKXYHPAT-VXGBXAGGSA-N 2 2 275.368 0.113 20 0 CCADLP CC[C@@H](F)C[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001403536850 917787273 /nfs/dbraw/zinc/78/72/73/917787273.db2.gz SNTFXMSKXYHPAT-VXGBXAGGSA-N 2 2 275.368 0.113 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCCF)CN1C(=O)Cc1c[nH+]cn1C ZINC001332052285 917827221 /nfs/dbraw/zinc/82/72/21/917827221.db2.gz XZAASIBHDHWONJ-NEPJUHHUSA-N 2 2 282.363 0.901 20 0 CCADLP CC[C@H](F)C[N@H+](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001403720735 917964304 /nfs/dbraw/zinc/96/43/04/917964304.db2.gz PGEQMSYOXVMIKG-ZDUSSCGKSA-N 2 2 289.395 0.505 20 0 CCADLP CC[C@H](F)C[N@@H+](C)CCNC(=O)CC[NH+]1CCOCC1 ZINC001403720735 917964319 /nfs/dbraw/zinc/96/43/19/917964319.db2.gz PGEQMSYOXVMIKG-ZDUSSCGKSA-N 2 2 289.395 0.505 20 0 CCADLP CC(C)(O)C[C@H](O)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC001332288786 918027537 /nfs/dbraw/zinc/02/75/37/918027537.db2.gz VPHBNXHTHNYOLA-QWRGUYRKSA-N 2 2 253.346 0.309 20 0 CCADLP CC[C@H](C)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001403876984 918079696 /nfs/dbraw/zinc/07/96/96/918079696.db2.gz GMQSCFKPRRPEQC-JSGCOSHPSA-N 2 2 296.415 0.418 20 0 CCADLP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3cc[nH]n3)C2)nn1 ZINC001332364526 918088882 /nfs/dbraw/zinc/08/88/82/918088882.db2.gz HCUHFAOTNUYBBC-LBPRGKRZSA-N 2 2 261.333 0.297 20 0 CCADLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3cc[nH]n3)C2)nn1 ZINC001332364526 918088890 /nfs/dbraw/zinc/08/88/90/918088890.db2.gz HCUHFAOTNUYBBC-LBPRGKRZSA-N 2 2 261.333 0.297 20 0 CCADLP CC[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C[C@@H]1CC[C@H](C)O1 ZINC001403929105 918131904 /nfs/dbraw/zinc/13/19/04/918131904.db2.gz ZWSIJWPTVRVSFB-JSGCOSHPSA-N 2 2 294.399 0.958 20 0 CCADLP CC[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C[C@@H]1CC[C@H](C)O1 ZINC001403929105 918131918 /nfs/dbraw/zinc/13/19/18/918131918.db2.gz ZWSIJWPTVRVSFB-JSGCOSHPSA-N 2 2 294.399 0.958 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(CC[N@H+](C)CCCO)C(C)C ZINC001403940665 918137133 /nfs/dbraw/zinc/13/71/33/918137133.db2.gz NACAETBCCPPHKP-UHFFFAOYSA-N 2 2 296.415 0.812 20 0 CCADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CC[NH+](C[C@H](C)O)CC1 ZINC001403977725 918152855 /nfs/dbraw/zinc/15/28/55/918152855.db2.gz FQKBYYLTPNPGPV-QWHCGFSZSA-N 2 2 294.399 0.481 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NC[C@@H]1CC[N@H+](CCO)C1 ZINC001404064354 918185232 /nfs/dbraw/zinc/18/52/32/918185232.db2.gz HWRXKGSZTWTTOT-LBPRGKRZSA-N 2 2 293.367 0.063 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NC[C@@H]1CC[N@@H+](CCO)C1 ZINC001404064354 918185241 /nfs/dbraw/zinc/18/52/41/918185241.db2.gz HWRXKGSZTWTTOT-LBPRGKRZSA-N 2 2 293.367 0.063 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001332514630 918240095 /nfs/dbraw/zinc/24/00/95/918240095.db2.gz AIOQPXFIOISCNB-UPJWGTAASA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001332514630 918240112 /nfs/dbraw/zinc/24/01/12/918240112.db2.gz AIOQPXFIOISCNB-UPJWGTAASA-N 2 2 269.389 0.341 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC1C[NH+](C[C@H]2CCOC2)C1 ZINC001404811128 918479096 /nfs/dbraw/zinc/47/90/96/918479096.db2.gz SJEAVZHABCQHPH-GFCCVEGCSA-N 2 2 278.356 0.110 20 0 CCADLP CC[C@@H](CNC(=O)Cn1c[nH+]cc1C)[NH2+]Cc1cnon1 ZINC001405276735 918702640 /nfs/dbraw/zinc/70/26/40/918702640.db2.gz RDMDCAVBTYTHEJ-NSHDSACASA-N 2 2 292.343 0.259 20 0 CCADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC001333338449 918818011 /nfs/dbraw/zinc/81/80/11/918818011.db2.gz ZAWMVJSWAYRHDE-FGCBAJGYSA-N 2 2 281.400 0.235 20 0 CCADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC001333338449 918818022 /nfs/dbraw/zinc/81/80/22/918818022.db2.gz ZAWMVJSWAYRHDE-FGCBAJGYSA-N 2 2 281.400 0.235 20 0 CCADLP Cc1noc(C[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]2CCCC2)n1 ZINC001405895586 918967124 /nfs/dbraw/zinc/96/71/24/918967124.db2.gz QWMYGVAJKBJTBH-LLVKDONJSA-N 2 2 295.387 0.410 20 0 CCADLP C[C@@H](O)C[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001406131218 919070795 /nfs/dbraw/zinc/07/07/95/919070795.db2.gz RBQDYRLSQXDBAE-JHJVBQTASA-N 2 2 294.399 0.295 20 0 CCADLP C[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001406131218 919070819 /nfs/dbraw/zinc/07/08/19/919070819.db2.gz RBQDYRLSQXDBAE-JHJVBQTASA-N 2 2 294.399 0.295 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@H]1C[C@]1(C)Br ZINC001333725749 919122530 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CO[C@@H](C)C[NH2+]C[C@@]1(C)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001407259919 919680297 /nfs/dbraw/zinc/68/02/97/919680297.db2.gz NWVXTIRYCCOUOD-DZGCQCFKSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@@H](C[NH2+][C@@H](C)c1cn(C)nn1)N1CC[NH+](C)CC1 ZINC001334813635 919787642 /nfs/dbraw/zinc/78/76/42/919787642.db2.gz OFQMOYWKUSFJCY-RYUDHWBXSA-N 2 2 266.393 0.102 20 0 CCADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001407843266 919917149 /nfs/dbraw/zinc/91/71/49/919917149.db2.gz BRJJBIJBDBNYQS-OAHLLOKOSA-N 2 2 296.459 0.567 20 0 CCADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001407843266 919917156 /nfs/dbraw/zinc/91/71/56/919917156.db2.gz BRJJBIJBDBNYQS-OAHLLOKOSA-N 2 2 296.459 0.567 20 0 CCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC[NH2+]CC1 ZINC001335843105 920476026 /nfs/dbraw/zinc/47/60/26/920476026.db2.gz NMNWLLVMBMSYNE-VXGBXAGGSA-N 2 2 262.357 0.734 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001336709215 920942386 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C[C@H](CCNC(=O)CCc1[nH+]ccn1C)[NH2+]CCF ZINC001418409878 922086988 /nfs/dbraw/zinc/08/69/88/922086988.db2.gz GACNGWPMANFIBY-LLVKDONJSA-N 2 2 270.352 0.807 20 0 CCADLP C[C@@H](O)C[NH2+][C@H](C)CCNC(=O)CCc1c[nH+]cn1C ZINC001418429798 922097545 /nfs/dbraw/zinc/09/75/45/922097545.db2.gz HCZFELCBEJPYFR-VXGBXAGGSA-N 2 2 282.388 0.218 20 0 CCADLP CC[N@H+](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)[C@H](C)C(N)=O ZINC001418562615 922261484 /nfs/dbraw/zinc/26/14/84/922261484.db2.gz ABBQHYTWVIRVNC-VXGBXAGGSA-N 2 2 295.387 0.146 20 0 CCADLP CC[N@@H+](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)[C@H](C)C(N)=O ZINC001418562615 922261496 /nfs/dbraw/zinc/26/14/96/922261496.db2.gz ABBQHYTWVIRVNC-VXGBXAGGSA-N 2 2 295.387 0.146 20 0 CCADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001340922923 922277228 /nfs/dbraw/zinc/27/72/28/922277228.db2.gz NWFDRHFOLZHCIH-IRCOFANPSA-N 2 2 262.357 0.732 20 0 CCADLP CN(C[C@H]1CC[N@@H+]1C[C@@H]1CCOC1)C(=O)Cn1cc[nH+]c1 ZINC001418597540 922292977 /nfs/dbraw/zinc/29/29/77/922292977.db2.gz DHPXQFNORHTZAX-UONOGXRCSA-N 2 2 292.383 0.452 20 0 CCADLP CN(C[C@H]1CC[N@H+]1C[C@@H]1CCOC1)C(=O)Cn1cc[nH+]c1 ZINC001418597540 922292992 /nfs/dbraw/zinc/29/29/92/922292992.db2.gz DHPXQFNORHTZAX-UONOGXRCSA-N 2 2 292.383 0.452 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001418603082 922301328 /nfs/dbraw/zinc/30/13/28/922301328.db2.gz BWRIQKWAPHAOGD-YPMHNXCESA-N 2 2 294.399 0.828 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001418603082 922301344 /nfs/dbraw/zinc/30/13/44/922301344.db2.gz BWRIQKWAPHAOGD-YPMHNXCESA-N 2 2 294.399 0.828 20 0 CCADLP COCC[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1C ZINC001418616256 922311781 /nfs/dbraw/zinc/31/17/81/922311781.db2.gz ZJHALAUZMSTPOF-ZDUSSCGKSA-N 2 2 280.372 0.371 20 0 CCADLP COCC[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1C ZINC001418616256 922311796 /nfs/dbraw/zinc/31/17/96/922311796.db2.gz ZJHALAUZMSTPOF-ZDUSSCGKSA-N 2 2 280.372 0.371 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1C[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001418700123 922371365 /nfs/dbraw/zinc/37/13/65/922371365.db2.gz BQKGCKNHAJLZJG-AVGNSLFASA-N 2 2 292.383 0.473 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@H]1CCCC[N@H+]1C ZINC001341281488 922410966 /nfs/dbraw/zinc/41/09/66/922410966.db2.gz SDSYXDQHRKASNF-LLVKDONJSA-N 2 2 265.361 0.704 20 0 CCADLP CC(C)C[C@@H](C)C[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001418965203 922522002 /nfs/dbraw/zinc/52/20/02/922522002.db2.gz HFQMSRQZNUEFBS-UKRRQHHQSA-N 2 2 297.443 0.800 20 0 CCADLP CC(C)C[C@@H](C)C[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001418965203 922522017 /nfs/dbraw/zinc/52/20/17/922522017.db2.gz HFQMSRQZNUEFBS-UKRRQHHQSA-N 2 2 297.443 0.800 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC001341548354 922545287 /nfs/dbraw/zinc/54/52/87/922545287.db2.gz QSZFBHAIACDJEU-KGYLQXTDSA-N 2 2 262.357 0.941 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC001341548354 922545296 /nfs/dbraw/zinc/54/52/96/922545296.db2.gz QSZFBHAIACDJEU-KGYLQXTDSA-N 2 2 262.357 0.941 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC1C[NH+](Cc2cccnc2)C1 ZINC001419022365 922577088 /nfs/dbraw/zinc/57/70/88/922577088.db2.gz HLKQMIBVDGNYNA-UHFFFAOYSA-N 2 2 299.378 0.835 20 0 CCADLP [NH3+]CC(F)(F)CNC(=O)[C@H]1[NH2+]CCc2occc21 ZINC001341650126 922604926 /nfs/dbraw/zinc/60/49/26/922604926.db2.gz VUVRDBZWBGMCRF-VIFPVBQESA-N 2 2 259.256 0.177 20 0 CCADLP CC[C@H](C(=O)N[C@@H](C)C[NH3+])[N@@H+]1CCO[C@H](CC)C1 ZINC001341768367 922664378 /nfs/dbraw/zinc/66/43/78/922664378.db2.gz UTWOGCRCERMXOK-QJPTWQEYSA-N 2 2 257.378 0.339 20 0 CCADLP CC[C@H](C(=O)N[C@@H](C)C[NH3+])[N@H+]1CCO[C@H](CC)C1 ZINC001341768367 922664386 /nfs/dbraw/zinc/66/43/86/922664386.db2.gz UTWOGCRCERMXOK-QJPTWQEYSA-N 2 2 257.378 0.339 20 0 CCADLP C[C@@H](C(=O)NC[C@@H]1CCC[NH2+]CC1)n1cc[nH+]c1 ZINC001342081728 922795111 /nfs/dbraw/zinc/79/51/11/922795111.db2.gz IVTAQWXFDFCWDP-NWDGAFQWSA-N 2 2 250.346 0.950 20 0 CCADLP CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001342130742 922821444 /nfs/dbraw/zinc/82/14/44/922821444.db2.gz ZDOOYMNNFXNCHU-DCQANWLSSA-N 2 2 260.341 0.122 20 0 CCADLP CC[C@H](C[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1)OC ZINC001419429821 922824303 /nfs/dbraw/zinc/82/43/03/922824303.db2.gz KZXBXKUMRVZIFJ-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCC[NH2+]CC1 ZINC001342186270 922851886 /nfs/dbraw/zinc/85/18/86/922851886.db2.gz SZZITPUNFMQFEF-GFCCVEGCSA-N 2 2 250.346 0.779 20 0 CCADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC001342302992 922902502 /nfs/dbraw/zinc/90/25/02/922902502.db2.gz JQHGEPFJKSTDRF-XCWUXJFVSA-N 2 2 295.427 0.577 20 0 CCADLP CN1CCN(C(=O)[C@H]([NH3+])c2ccccc2)CC[N@H+](C)CC1 ZINC001343024722 923170143 /nfs/dbraw/zinc/17/01/43/923170143.db2.gz FFQVTSRCLGNNSO-OAHLLOKOSA-N 2 2 290.411 0.392 20 0 CCADLP CN1CCN(C(=O)[C@H]([NH3+])c2ccccc2)CC[N@@H+](C)CC1 ZINC001343024722 923170151 /nfs/dbraw/zinc/17/01/51/923170151.db2.gz FFQVTSRCLGNNSO-OAHLLOKOSA-N 2 2 290.411 0.392 20 0 CCADLP C[NH2+]C1(C(=O)N(C)[C@@H](C)C[NH+]2CCOCC2)CCC1 ZINC001343735762 923453515 /nfs/dbraw/zinc/45/35/15/923453515.db2.gz BHWMHJDHQWQCJX-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP CC1(C)C[NH2+]CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001344422034 923600291 /nfs/dbraw/zinc/60/02/91/923600291.db2.gz PTTBHVCQALQOFH-JTQLQIEISA-N 2 2 250.346 0.847 20 0 CCADLP CC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)CC(=O)NC ZINC001420451114 923678128 /nfs/dbraw/zinc/67/81/28/923678128.db2.gz ODKZKILAQGVNKG-CHWSQXEVSA-N 2 2 298.431 0.043 20 0 CCADLP CC[N@@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)CC(=O)NC ZINC001420451114 923678140 /nfs/dbraw/zinc/67/81/40/923678140.db2.gz ODKZKILAQGVNKG-CHWSQXEVSA-N 2 2 298.431 0.043 20 0 CCADLP COC[C@H](C)[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001420693230 923878090 /nfs/dbraw/zinc/87/80/90/923878090.db2.gz UHQFFAYWXMLVQO-NSHDSACASA-N 2 2 280.372 0.568 20 0 CCADLP COC[C@H](C)[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001420693230 923878097 /nfs/dbraw/zinc/87/80/97/923878097.db2.gz UHQFFAYWXMLVQO-NSHDSACASA-N 2 2 280.372 0.568 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([C@@H](C)[NH2+]CCO)CC1 ZINC001420762105 923925151 /nfs/dbraw/zinc/92/51/51/923925151.db2.gz UQKGDEMAMAHSEG-LLVKDONJSA-N 2 2 294.399 0.470 20 0 CCADLP CN(CCOCC1CC1)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001346571215 924266379 /nfs/dbraw/zinc/26/63/79/924266379.db2.gz ZCIXFDOZBHSBBN-UHFFFAOYSA-N 2 2 298.431 0.478 20 0 CCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)CCc1[nH+]ccn1C ZINC001347042368 924357139 /nfs/dbraw/zinc/35/71/39/924357139.db2.gz BEUZRNMHEZIYDJ-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)CCc1[nH+]ccn1C ZINC001347042368 924357150 /nfs/dbraw/zinc/35/71/50/924357150.db2.gz BEUZRNMHEZIYDJ-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCCC[N@H+]1C ZINC001347505022 924463838 /nfs/dbraw/zinc/46/38/38/924463838.db2.gz UPRLMSBTHNJMIV-LLVKDONJSA-N 2 2 250.346 0.861 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCCC[N@@H+]1C ZINC001347505022 924463844 /nfs/dbraw/zinc/46/38/44/924463844.db2.gz UPRLMSBTHNJMIV-LLVKDONJSA-N 2 2 250.346 0.861 20 0 CCADLP C[C@@H](CNC(=O)CCc1[nH+]ccn1C)C[NH+](C)C ZINC001347607896 924490740 /nfs/dbraw/zinc/49/07/40/924490740.db2.gz GYEFOHBVNLDIMB-NSHDSACASA-N 2 2 252.362 0.667 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCC(OCC(N)=O)CC1 ZINC001350357256 925179216 /nfs/dbraw/zinc/17/92/16/925179216.db2.gz BAPDDXQTABUBRD-UHFFFAOYSA-N 2 2 266.345 0.158 20 0 CCADLP COCC[C@@H]1C[NH2+]CCN1C(=O)NCCCn1cc[nH+]c1 ZINC001353246573 925772210 /nfs/dbraw/zinc/77/22/10/925772210.db2.gz KWDXNFVBRJOWCC-CYBMUJFWSA-N 2 2 295.387 0.293 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC001353432810 925832722 /nfs/dbraw/zinc/83/27/22/925832722.db2.gz PDCKBYBYXYHQBA-AWEZNQCLSA-N 2 2 291.355 0.288 20 0 CCADLP CC(C)(C[NH+]1CCOCC1)Nc1nccnc1C[NH3+] ZINC001354216053 926045898 /nfs/dbraw/zinc/04/58/98/926045898.db2.gz GWOKCQPEMSJZMR-UHFFFAOYSA-N 2 2 265.361 0.458 20 0 CCADLP CC1(C)CC[C@@H](CNC(=O)C[C@@H]([NH3+])C(F)F)[NH2+]C1 ZINC001354474069 926115060 /nfs/dbraw/zinc/11/50/60/926115060.db2.gz HFTRNXBGJIOLHX-DTWKUNHWSA-N 2 2 263.332 0.863 20 0 CCADLP CC1(C)CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@@H]1[NH3+] ZINC001354805053 926168223 /nfs/dbraw/zinc/16/82/23/926168223.db2.gz OBJQAWVMGYSDRQ-JQWIXIFHSA-N 2 2 262.357 0.641 20 0 CCADLP CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001421364248 926698472 /nfs/dbraw/zinc/69/84/72/926698472.db2.gz SHVVECQVRLGVIH-SWLSCSKDSA-N 2 2 292.383 0.018 20 0 CCADLP CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001421364248 926698481 /nfs/dbraw/zinc/69/84/81/926698481.db2.gz SHVVECQVRLGVIH-SWLSCSKDSA-N 2 2 292.383 0.018 20 0 CCADLP CC(C)[NH2+]CCN(CCO)C(=O)CCc1[nH+]ccn1C ZINC001421635738 926825819 /nfs/dbraw/zinc/82/58/19/926825819.db2.gz FZWCCRVPWKZOAD-UHFFFAOYSA-N 2 2 282.388 0.172 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001421702299 926864468 /nfs/dbraw/zinc/86/44/68/926864468.db2.gz RRMRGLRTWMJRKL-CQSZACIVSA-N 2 2 297.443 0.945 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001421702299 926864474 /nfs/dbraw/zinc/86/44/74/926864474.db2.gz RRMRGLRTWMJRKL-CQSZACIVSA-N 2 2 297.443 0.945 20 0 CCADLP CC(C)[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001421943333 927006218 /nfs/dbraw/zinc/00/62/18/927006218.db2.gz DODHUAGVZFKYSO-ZDUSSCGKSA-N 2 2 285.432 0.942 20 0 CCADLP CCC1([NH2+]C[C@H](C)O)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001421960381 927013725 /nfs/dbraw/zinc/01/37/25/927013725.db2.gz SDISTTYDJMYFQL-LBPRGKRZSA-N 2 2 294.399 0.694 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC001361712972 927267853 /nfs/dbraw/zinc/26/78/53/927267853.db2.gz OELAQZUIYYRGBE-UHFFFAOYSA-N 2 2 280.372 0.176 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2cn(C)nn2)C1 ZINC001422433962 927274034 /nfs/dbraw/zinc/27/40/34/927274034.db2.gz FWFPRIGUPVXBJI-UONOGXRCSA-N 2 2 295.431 0.696 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2cn(C)nn2)C1 ZINC001422433962 927274049 /nfs/dbraw/zinc/27/40/49/927274049.db2.gz FWFPRIGUPVXBJI-UONOGXRCSA-N 2 2 295.431 0.696 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](c2cn(C)nn2)C1 ZINC001422433962 927274062 /nfs/dbraw/zinc/27/40/62/927274062.db2.gz FWFPRIGUPVXBJI-UONOGXRCSA-N 2 2 295.431 0.696 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](c2cn(C)nn2)C1 ZINC001422433962 927274077 /nfs/dbraw/zinc/27/40/77/927274077.db2.gz FWFPRIGUPVXBJI-UONOGXRCSA-N 2 2 295.431 0.696 20 0 CCADLP COCCn1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cn1 ZINC001422582096 927384064 /nfs/dbraw/zinc/38/40/64/927384064.db2.gz VUUDYXDIOBHJPG-CQSZACIVSA-N 2 2 282.388 0.076 20 0 CCADLP C[C@@H](CN(C)C(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1cnon1 ZINC001423068852 927659688 /nfs/dbraw/zinc/65/96/88/927659688.db2.gz GMOZRBJEEZZABB-NSHDSACASA-N 2 2 295.387 0.490 20 0 CCADLP Cc1oncc1C[NH2+][C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001423180486 927717584 /nfs/dbraw/zinc/71/75/84/927717584.db2.gz CGRYNDHBBROQPQ-NSHDSACASA-N 2 2 291.355 0.816 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001423449954 927864145 /nfs/dbraw/zinc/86/41/45/927864145.db2.gz XHZKZQJOZGCEPW-UHFFFAOYSA-N 2 2 283.416 0.651 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001423471804 927879402 /nfs/dbraw/zinc/87/94/02/927879402.db2.gz SCFAIVWDRMXCFE-TZMCWYRMSA-N 2 2 294.399 0.958 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001423471804 927879412 /nfs/dbraw/zinc/87/94/12/927879412.db2.gz SCFAIVWDRMXCFE-TZMCWYRMSA-N 2 2 294.399 0.958 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC1(C)CC[NH+](CCO)CC1 ZINC001423669928 927954410 /nfs/dbraw/zinc/95/44/10/927954410.db2.gz QWWCQXAWPKHCKL-UHFFFAOYSA-N 2 2 294.399 0.471 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)CC[C@H]1CCCO1 ZINC001425056212 928417994 /nfs/dbraw/zinc/41/79/94/928417994.db2.gz PHDKMUBZDGXPTO-CHWSQXEVSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)CC[C@H]1CCCO1 ZINC001425056212 928418008 /nfs/dbraw/zinc/41/80/08/928418008.db2.gz PHDKMUBZDGXPTO-CHWSQXEVSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@H](C)C[NH+]1CC([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001425240731 928475093 /nfs/dbraw/zinc/47/50/93/928475093.db2.gz DPLQGJRWTDFFMR-MNOVXSKESA-N 2 2 280.372 0.424 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC001425347688 928521127 /nfs/dbraw/zinc/52/11/27/928521127.db2.gz ZKBXARZWIULHNC-QKDCVEJESA-N 2 2 288.395 0.977 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC001425347688 928521136 /nfs/dbraw/zinc/52/11/36/928521136.db2.gz ZKBXARZWIULHNC-QKDCVEJESA-N 2 2 288.395 0.977 20 0 CCADLP Cc1nonc1C[NH2+][C@@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001425685006 928623906 /nfs/dbraw/zinc/62/39/06/928623906.db2.gz QRUFVOPTLIZVRX-NSHDSACASA-N 2 2 295.387 0.410 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H](C(=O)N[C@@H](CO)c2c[nH+]cn2C)C1 ZINC001363321107 929112396 /nfs/dbraw/zinc/11/23/96/929112396.db2.gz KBJWCVMHYHHTMQ-OLZOCXBDSA-N 2 2 294.399 0.690 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H](C(=O)N[C@@H](CO)c2c[nH+]cn2C)C1 ZINC001363321107 929112400 /nfs/dbraw/zinc/11/24/00/929112400.db2.gz KBJWCVMHYHHTMQ-OLZOCXBDSA-N 2 2 294.399 0.690 20 0 CCADLP C[C@H](CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO)n1cc[nH+]c1 ZINC001363371494 929158471 /nfs/dbraw/zinc/15/84/71/929158471.db2.gz MUEGADIWLFCQHT-HZSPNIEDSA-N 2 2 292.383 0.502 20 0 CCADLP C[C@H](CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO)n1cc[nH+]c1 ZINC001363371494 929158473 /nfs/dbraw/zinc/15/84/73/929158473.db2.gz MUEGADIWLFCQHT-HZSPNIEDSA-N 2 2 292.383 0.502 20 0 CCADLP O=C(CC[N@H+]1CC[C@@H](F)C1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC001363459924 929263515 /nfs/dbraw/zinc/26/35/15/929263515.db2.gz SGWNIAWIXKXUSP-VXGBXAGGSA-N 2 2 280.347 0.748 20 0 CCADLP O=C(CC[N@@H+]1CC[C@@H](F)C1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC001363459924 929263524 /nfs/dbraw/zinc/26/35/24/929263524.db2.gz SGWNIAWIXKXUSP-VXGBXAGGSA-N 2 2 280.347 0.748 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC([NH2+]C2CCOCC2)C1 ZINC001363584049 929391125 /nfs/dbraw/zinc/39/11/25/929391125.db2.gz KAEJKOHFRQASFJ-UHFFFAOYSA-N 2 2 292.383 0.332 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC001443595026 929657212 /nfs/dbraw/zinc/65/72/12/929657212.db2.gz CUGVACOWWNLBHL-KGLIPLIRSA-N 2 2 284.448 0.326 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H](C)CC[NH+](C)C ZINC001443595027 929657256 /nfs/dbraw/zinc/65/72/56/929657256.db2.gz CUGVACOWWNLBHL-UONOGXRCSA-N 2 2 284.448 0.326 20 0 CCADLP Cc1nccnc1C[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001443609302 929661600 /nfs/dbraw/zinc/66/16/00/929661600.db2.gz OMKCQZBNFVEMAD-UHFFFAOYSA-N 2 2 291.399 0.285 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC[N@H+](C)C[C@@H]1CCOC1 ZINC001372052882 929719235 /nfs/dbraw/zinc/71/92/35/929719235.db2.gz VPTUKEGPGCOEFR-ZDUSSCGKSA-N 2 2 294.399 0.437 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC[N@@H+](C)C[C@@H]1CCOC1 ZINC001372052882 929719245 /nfs/dbraw/zinc/71/92/45/929719245.db2.gz VPTUKEGPGCOEFR-ZDUSSCGKSA-N 2 2 294.399 0.437 20 0 CCADLP CC[C@@H](C(=O)NCC[N@@H+](C)Cc1conc1C)[NH+](C)C ZINC001372112009 929732178 /nfs/dbraw/zinc/73/21/78/929732178.db2.gz YKSMQVDSXJTKDV-ZDUSSCGKSA-N 2 2 282.388 0.871 20 0 CCADLP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1csnn1 ZINC001443989046 929761352 /nfs/dbraw/zinc/76/13/52/929761352.db2.gz VVLQCHYAXWRCHY-JTQLQIEISA-N 2 2 285.417 0.474 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC001444175587 929805493 /nfs/dbraw/zinc/80/54/93/929805493.db2.gz WHXHBIMJNAKVIR-HAQNSBGRSA-N 2 2 280.372 0.352 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC001444175587 929805498 /nfs/dbraw/zinc/80/54/98/929805498.db2.gz WHXHBIMJNAKVIR-HAQNSBGRSA-N 2 2 280.372 0.352 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C)n1 ZINC001444671676 929929825 /nfs/dbraw/zinc/92/98/25/929929825.db2.gz RZCPUWAHQIIOPX-WDEREUQCSA-N 2 2 297.403 0.827 20 0 CCADLP C[C@H](C[NH2+]C[C@@H]1CCOC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001444688039 929931806 /nfs/dbraw/zinc/93/18/06/929931806.db2.gz IHISTLPLZPXJSE-NEPJUHHUSA-N 2 2 280.372 0.425 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001372986681 930038325 /nfs/dbraw/zinc/03/83/25/930038325.db2.gz DKOSENXUZJNONA-JQWIXIFHSA-N 2 2 295.387 0.439 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001372986681 930038336 /nfs/dbraw/zinc/03/83/36/930038336.db2.gz DKOSENXUZJNONA-JQWIXIFHSA-N 2 2 295.387 0.439 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)C[NH2+]CC1CCC1 ZINC001445260365 930079713 /nfs/dbraw/zinc/07/97/13/930079713.db2.gz XCTMMQAVKAHUGT-GFCCVEGCSA-N 2 2 280.372 0.127 20 0 CCADLP O=C(NCC[C@@H]1CC[N@@H+](CCO)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001373203353 930104016 /nfs/dbraw/zinc/10/40/16/930104016.db2.gz XFPVLVCBTQCIFJ-JHJVBQTASA-N 2 2 292.383 0.334 20 0 CCADLP O=C(NCC[C@@H]1CC[N@H+](CCO)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001373203353 930104022 /nfs/dbraw/zinc/10/40/22/930104022.db2.gz XFPVLVCBTQCIFJ-JHJVBQTASA-N 2 2 292.383 0.334 20 0 CCADLP O=C(NCC[C@@H]1CC[N@@H+](CCO)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001373203353 930104028 /nfs/dbraw/zinc/10/40/28/930104028.db2.gz XFPVLVCBTQCIFJ-JHJVBQTASA-N 2 2 292.383 0.334 20 0 CCADLP O=C(NCC[C@@H]1CC[N@H+](CCO)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001373203353 930104035 /nfs/dbraw/zinc/10/40/35/930104035.db2.gz XFPVLVCBTQCIFJ-JHJVBQTASA-N 2 2 292.383 0.334 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001373253428 930119233 /nfs/dbraw/zinc/11/92/33/930119233.db2.gz PMPMWOSOKWUOQI-STQMWFEESA-N 2 2 280.372 0.092 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001373253428 930119241 /nfs/dbraw/zinc/11/92/41/930119241.db2.gz PMPMWOSOKWUOQI-STQMWFEESA-N 2 2 280.372 0.092 20 0 CCADLP COC[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001373303607 930134017 /nfs/dbraw/zinc/13/40/17/930134017.db2.gz YGYCMZJGDIXJCX-STQMWFEESA-N 2 2 294.399 0.767 20 0 CCADLP COC[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001373303607 930134028 /nfs/dbraw/zinc/13/40/28/930134028.db2.gz YGYCMZJGDIXJCX-STQMWFEESA-N 2 2 294.399 0.767 20 0 CCADLP CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1nc(C)no1)[NH+](C)C ZINC001445605167 930183098 /nfs/dbraw/zinc/18/30/98/930183098.db2.gz LLZWGBFGCJJONK-NHCYSSNCSA-N 2 2 297.403 0.874 20 0 CCADLP C[C@@H](C[NH2+]C[C@@H]1CCOC1)NC(=O)Cc1c[nH+]cn1C ZINC001445649180 930195931 /nfs/dbraw/zinc/19/59/31/930195931.db2.gz RMNLFFHCBZGVCG-RYUDHWBXSA-N 2 2 280.372 0.093 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC1C[NH+](C/C=C/Cl)C1 ZINC001373522250 930230509 /nfs/dbraw/zinc/23/05/09/930230509.db2.gz NZYCUZHFKYVTPS-NSCUHMNNSA-N 2 2 282.775 0.992 20 0 CCADLP CC(C)C[C@@H](C(=O)N[C@H](C)C[N@H+](C)CCO)n1cc[nH+]c1 ZINC001445742443 930235610 /nfs/dbraw/zinc/23/56/10/930235610.db2.gz CNFUTWIOVNLHBH-KGLIPLIRSA-N 2 2 296.415 0.899 20 0 CCADLP CC(C)C[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CCO)n1cc[nH+]c1 ZINC001445742443 930235616 /nfs/dbraw/zinc/23/56/16/930235616.db2.gz CNFUTWIOVNLHBH-KGLIPLIRSA-N 2 2 296.415 0.899 20 0 CCADLP C[C@H](C[N@H+](C)CCCO)NC(=O)c1cccc2[nH+]ccn21 ZINC001445752464 930239269 /nfs/dbraw/zinc/23/92/69/930239269.db2.gz IJLCNICFMKQJCC-GFCCVEGCSA-N 2 2 290.367 0.767 20 0 CCADLP C[C@H](C[N@@H+](C)CCCO)NC(=O)c1cccc2[nH+]ccn21 ZINC001445752464 930239278 /nfs/dbraw/zinc/23/92/78/930239278.db2.gz IJLCNICFMKQJCC-GFCCVEGCSA-N 2 2 290.367 0.767 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@H+]1C[C@H](C)O ZINC001446110899 930334133 /nfs/dbraw/zinc/33/41/33/930334133.db2.gz VWBHHWPZWPSJBK-STQMWFEESA-N 2 2 294.399 0.578 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@@H+]1C[C@H](C)O ZINC001446110899 930334142 /nfs/dbraw/zinc/33/41/42/930334142.db2.gz VWBHHWPZWPSJBK-STQMWFEESA-N 2 2 294.399 0.578 20 0 CCADLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1conc1C ZINC001373799203 930345696 /nfs/dbraw/zinc/34/56/96/930345696.db2.gz FLIQDJCPTHLNMM-GFCCVEGCSA-N 2 2 291.355 0.933 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]C[C@@H]1CCOC1 ZINC001374090042 930421401 /nfs/dbraw/zinc/42/14/01/930421401.db2.gz IVFULXRVRIFVIL-RYUDHWBXSA-N 2 2 280.372 0.331 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@@](C)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001446543378 930432887 /nfs/dbraw/zinc/43/28/87/930432887.db2.gz WUDZCVZBFPZWAX-SWLSCSKDSA-N 2 2 294.399 0.958 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001446543378 930432893 /nfs/dbraw/zinc/43/28/93/930432893.db2.gz WUDZCVZBFPZWAX-SWLSCSKDSA-N 2 2 294.399 0.958 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@@](C)(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001446543378 930432896 /nfs/dbraw/zinc/43/28/96/930432896.db2.gz WUDZCVZBFPZWAX-SWLSCSKDSA-N 2 2 294.399 0.958 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001446543378 930432898 /nfs/dbraw/zinc/43/28/98/930432898.db2.gz WUDZCVZBFPZWAX-SWLSCSKDSA-N 2 2 294.399 0.958 20 0 CCADLP COCC[N@@H+]1CC[C@@](C)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001446563758 930440721 /nfs/dbraw/zinc/44/07/21/930440721.db2.gz POUDGNONBFSWRZ-CQSZACIVSA-N 2 2 280.372 0.488 20 0 CCADLP COCC[N@H+]1CC[C@@](C)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001446563758 930440726 /nfs/dbraw/zinc/44/07/26/930440726.db2.gz POUDGNONBFSWRZ-CQSZACIVSA-N 2 2 280.372 0.488 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@]1(C)CCC[N@H+](CCO)C1 ZINC001446684396 930459706 /nfs/dbraw/zinc/45/97/06/930459706.db2.gz LFAKVZRTNXZCAR-OAHLLOKOSA-N 2 2 294.399 0.471 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@]1(C)CCC[N@@H+](CCO)C1 ZINC001446684396 930459709 /nfs/dbraw/zinc/45/97/09/930459709.db2.gz LFAKVZRTNXZCAR-OAHLLOKOSA-N 2 2 294.399 0.471 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC1(CO)CC[NH+](CCCF)CC1 ZINC001447732888 930691949 /nfs/dbraw/zinc/69/19/49/930691949.db2.gz XYVGYSBZCZCFHM-UHFFFAOYSA-N 2 2 298.362 0.255 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cnon1 ZINC001447884065 930743520 /nfs/dbraw/zinc/74/35/20/930743520.db2.gz VFKBLCPBNRLVGV-QWRGUYRKSA-N 2 2 292.343 0.258 20 0 CCADLP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@H+](C)CCO ZINC001448055425 930802625 /nfs/dbraw/zinc/80/26/25/930802625.db2.gz BXFUHGJCSKBSTJ-JTQLQIEISA-N 2 2 276.340 0.605 20 0 CCADLP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@@H+](C)CCO ZINC001448055425 930802632 /nfs/dbraw/zinc/80/26/32/930802632.db2.gz BXFUHGJCSKBSTJ-JTQLQIEISA-N 2 2 276.340 0.605 20 0 CCADLP C[C@@H](O)C[N@H+](C)[C@@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001448141350 930830676 /nfs/dbraw/zinc/83/06/76/930830676.db2.gz POQRMEUJBHLATN-QWHCGFSZSA-N 2 2 282.388 0.481 20 0 CCADLP C[C@@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001448141350 930830682 /nfs/dbraw/zinc/83/06/82/930830682.db2.gz POQRMEUJBHLATN-QWHCGFSZSA-N 2 2 282.388 0.481 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H](NC(=O)CCc1c[nH+]cn1C)C1CC1 ZINC001375270229 930832786 /nfs/dbraw/zinc/83/27/86/930832786.db2.gz KIMCPWRMLKPHRO-FZMZJTMJSA-N 2 2 294.399 0.218 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001448254358 930860133 /nfs/dbraw/zinc/86/01/33/930860133.db2.gz GSPQGFSJQZTWEH-KGLIPLIRSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@@H](O)C[N@H+]1CCCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001448254358 930860139 /nfs/dbraw/zinc/86/01/39/930860139.db2.gz GSPQGFSJQZTWEH-KGLIPLIRSA-N 2 2 294.399 0.625 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1[C@H](CC)C(N)=O ZINC001375473280 930893882 /nfs/dbraw/zinc/89/38/82/930893882.db2.gz SWNRMIJLDCTBIZ-QWHCGFSZSA-N 2 2 298.431 0.125 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1[C@H](CC)C(N)=O ZINC001375473280 930893887 /nfs/dbraw/zinc/89/38/87/930893887.db2.gz SWNRMIJLDCTBIZ-QWHCGFSZSA-N 2 2 298.431 0.125 20 0 CCADLP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](CC)C(N)=O ZINC001375473280 930893889 /nfs/dbraw/zinc/89/38/89/930893889.db2.gz SWNRMIJLDCTBIZ-QWHCGFSZSA-N 2 2 298.431 0.125 20 0 CCADLP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H](CC)C(N)=O ZINC001375473280 930893894 /nfs/dbraw/zinc/89/38/94/930893894.db2.gz SWNRMIJLDCTBIZ-QWHCGFSZSA-N 2 2 298.431 0.125 20 0 CCADLP CC[C@H](C[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1c[nH+]c[nH]1)OC ZINC001375478275 930895923 /nfs/dbraw/zinc/89/59/23/930895923.db2.gz ZOFYRTZZMLLBNE-UONOGXRCSA-N 2 2 294.399 0.910 20 0 CCADLP CC[C@H](C[N@H+]1CC[C@H]1CN(C)C(=O)Cc1c[nH+]c[nH]1)OC ZINC001375478275 930895932 /nfs/dbraw/zinc/89/59/32/930895932.db2.gz ZOFYRTZZMLLBNE-UONOGXRCSA-N 2 2 294.399 0.910 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001375512842 930904666 /nfs/dbraw/zinc/90/46/66/930904666.db2.gz PCBMKNPOBJPZAS-UPJWGTAASA-N 2 2 294.399 0.482 20 0 CCADLP CCc1noc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001376400610 931140756 /nfs/dbraw/zinc/14/07/56/931140756.db2.gz PWLXERSBQXELDA-NSHDSACASA-N 2 2 295.387 0.274 20 0 CCADLP CC[C@@H](C[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1)OC ZINC001376417333 931145820 /nfs/dbraw/zinc/14/58/20/931145820.db2.gz ZWTWMURLICQTPA-AVGNSLFASA-N 2 2 294.399 0.922 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC[C@H]1CCCO1 ZINC001376823628 931291736 /nfs/dbraw/zinc/29/17/36/931291736.db2.gz JUNKAAAEKFHQIV-DGCLKSJQSA-N 2 2 280.372 0.616 20 0 CCADLP CC(C)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001376854312 931305175 /nfs/dbraw/zinc/30/51/75/931305175.db2.gz VCFNNJUMMYNQRS-AWEZNQCLSA-N 2 2 294.399 0.436 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCc1ccc2c[nH+]cn2c1 ZINC001451104066 931383424 /nfs/dbraw/zinc/38/34/24/931383424.db2.gz MOLQZVJTALTHFC-UHFFFAOYSA-N 2 2 269.308 0.927 20 0 CCADLP C[C@H](O)CN(C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000091237677 349457468 /nfs/dbraw/zinc/45/74/68/349457468.db2.gz BJJLQIIOQDYCNY-LBPRGKRZSA-N 2 2 286.420 0.035 20 0 CCADLP CC[C@H](CO)[NH+]1CCN([C@H](C)C[NH+]2CCOCC2)CC1 ZINC000091512613 349465727 /nfs/dbraw/zinc/46/57/27/349465727.db2.gz WUEPOHJTACGVRL-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP CCOC[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093174160 349529610 /nfs/dbraw/zinc/52/96/10/349529610.db2.gz DJHHPGNULYESAL-AWEZNQCLSA-N 2 2 283.416 0.509 20 0 CCADLP CCOC[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093174160 349529611 /nfs/dbraw/zinc/52/96/11/349529611.db2.gz DJHHPGNULYESAL-AWEZNQCLSA-N 2 2 283.416 0.509 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@](C)(CO)C2CCCCC2)CC1 ZINC000093175567 349529230 /nfs/dbraw/zinc/52/92/30/349529230.db2.gz LHMFDPRYCKBSPT-INIZCTEOSA-N 2 2 297.443 0.681 20 0 CCADLP CSCC[C@@H](C)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093193645 349531076 /nfs/dbraw/zinc/53/10/76/349531076.db2.gz FAXSGGHSUVHHCL-GFCCVEGCSA-N 2 2 273.446 0.834 20 0 CCADLP CSCC[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093193645 349531079 /nfs/dbraw/zinc/53/10/79/349531079.db2.gz FAXSGGHSUVHHCL-GFCCVEGCSA-N 2 2 273.446 0.834 20 0 CCADLP CCN(C(=O)C[NH+]1CC(C)(C)C1)[C@H]1CC[N@H+](C)C1 ZINC000617550441 365670083 /nfs/dbraw/zinc/67/00/83/365670083.db2.gz SSBIGLUUIFNLJU-LBPRGKRZSA-N 2 2 253.390 0.881 20 0 CCADLP CCN(C(=O)C[NH+]1CC(C)(C)C1)[C@H]1CC[N@@H+](C)C1 ZINC000617550441 365670086 /nfs/dbraw/zinc/67/00/86/365670086.db2.gz SSBIGLUUIFNLJU-LBPRGKRZSA-N 2 2 253.390 0.881 20 0 CCADLP CCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@H]1CC[N@H+](C)C1 ZINC000617552907 365674764 /nfs/dbraw/zinc/67/47/64/365674764.db2.gz XKQJKHAPHIGHDB-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP CCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@H]1CC[N@@H+](C)C1 ZINC000617552907 365674766 /nfs/dbraw/zinc/67/47/66/365674766.db2.gz XKQJKHAPHIGHDB-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C[C@@H]1[NH+]1CCOCC1 ZINC000423884297 529378160 /nfs/dbraw/zinc/37/81/60/529378160.db2.gz VVBKAMGECOWYRZ-NYTXWWLZSA-N 2 2 293.411 0.308 20 0 CCADLP C[C@@H]1C[NH+](CCCNC(=O)CCn2cc[nH+]c2)C[C@@H](C)O1 ZINC000338015971 214361754 /nfs/dbraw/zinc/36/17/54/214361754.db2.gz XZQHCHBFPSSFCH-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CC2(CCO)CC2)n1C ZINC000097817574 349649175 /nfs/dbraw/zinc/64/91/75/349649175.db2.gz ZGTOETFZOYAJNQ-UHFFFAOYSA-N 2 2 252.362 0.738 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000423674513 529452378 /nfs/dbraw/zinc/45/23/78/529452378.db2.gz GUYQXOZUNVZSJS-WCQYABFASA-N 2 2 269.389 0.483 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000423674513 529452381 /nfs/dbraw/zinc/45/23/81/529452381.db2.gz GUYQXOZUNVZSJS-WCQYABFASA-N 2 2 269.389 0.483 20 0 CCADLP C[C@@H](NC(=O)CCCn1cc[nH+]c1)[C@H](C)[NH+]1CCOCC1 ZINC000104598796 349717994 /nfs/dbraw/zinc/71/79/94/349717994.db2.gz JUCBCSPKODKBFK-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)N1CCC1 ZINC000371301194 282210644 /nfs/dbraw/zinc/21/06/44/282210644.db2.gz SQZCMSOWBRUABF-MGPQQGTHSA-N 2 2 281.400 0.402 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC(=O)N1CCC1 ZINC000371301194 282210650 /nfs/dbraw/zinc/21/06/50/282210650.db2.gz SQZCMSOWBRUABF-MGPQQGTHSA-N 2 2 281.400 0.402 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+]Cc1cn(C(C)C)nn1 ZINC000342081014 536796298 /nfs/dbraw/zinc/79/62/98/536796298.db2.gz IQUYZRQWKBSOPA-UHFFFAOYSA-N 2 2 269.393 0.917 20 0 CCADLP COC(=O)c1cnc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000600708415 362041308 /nfs/dbraw/zinc/04/13/08/362041308.db2.gz CSHNCAWSDSSRMV-HNNXBMFYSA-N 2 2 290.367 0.839 20 0 CCADLP COC(=O)c1cnc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000600708415 362041311 /nfs/dbraw/zinc/04/13/11/362041311.db2.gz CSHNCAWSDSSRMV-HNNXBMFYSA-N 2 2 290.367 0.839 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCNc1cccc[nH+]1 ZINC000573483062 334941156 /nfs/dbraw/zinc/94/11/56/334941156.db2.gz IGERGJGMLUAOCZ-NEPJUHHUSA-N 2 2 262.357 0.998 20 0 CCADLP CCOC(=O)C1(C)CC([NH2+]CC[N@@H+]2CC[C@H](O)C2)C1 ZINC000601284380 362202419 /nfs/dbraw/zinc/20/24/19/362202419.db2.gz FOIYMTBLAUKPJQ-LXVYMNJGSA-N 2 2 270.373 0.374 20 0 CCADLP CCOC(=O)C1(C)CC([NH2+]CC[N@H+]2CC[C@H](O)C2)C1 ZINC000601284380 362202425 /nfs/dbraw/zinc/20/24/25/362202425.db2.gz FOIYMTBLAUKPJQ-LXVYMNJGSA-N 2 2 270.373 0.374 20 0 CCADLP CCOC(=O)C1(C)CC([NH2+]C[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000601267899 362196153 /nfs/dbraw/zinc/19/61/53/362196153.db2.gz XDYUTLUQZAKAFC-JVWICGRDSA-N 2 2 283.416 0.554 20 0 CCADLP CCOC(=O)C1(C)CC([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000601267899 362196157 /nfs/dbraw/zinc/19/61/57/362196157.db2.gz XDYUTLUQZAKAFC-JVWICGRDSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)CCn2cc[nH+]c2)[C@@H](C)CO1 ZINC000617734036 365746056 /nfs/dbraw/zinc/74/60/56/365746056.db2.gz ZKKZNJOGCAPBSW-QWHCGFSZSA-N 2 2 280.372 0.499 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)CCn2cc[nH+]c2)[C@@H](C)CO1 ZINC000617734036 365746062 /nfs/dbraw/zinc/74/60/62/365746062.db2.gz ZKKZNJOGCAPBSW-QWHCGFSZSA-N 2 2 280.372 0.499 20 0 CCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000113499899 349812840 /nfs/dbraw/zinc/81/28/40/349812840.db2.gz UCRIUKRMMLQFDK-ZDUSSCGKSA-N 2 2 276.384 0.848 20 0 CCADLP C[C@H](CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH+](C)C ZINC000617759360 365761749 /nfs/dbraw/zinc/76/17/49/365761749.db2.gz FLJGFEPGJGZMMC-NEPJUHHUSA-N 2 2 264.373 0.902 20 0 CCADLP C[C@H](CCNC(=O)[C@H](C)[NH+]1CCN(C)CC1)[NH+](C)C ZINC000617752712 365755520 /nfs/dbraw/zinc/75/55/20/365755520.db2.gz SUOJNIRTXDYEBX-OLZOCXBDSA-N 2 2 270.421 0.079 20 0 CCADLP CC[C@@H]1CC[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)O1 ZINC000617765594 365770564 /nfs/dbraw/zinc/77/05/64/365770564.db2.gz IHKFJGRZUYZXDZ-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP CC[C@@H]1CC[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)O1 ZINC000617765594 365770571 /nfs/dbraw/zinc/77/05/71/365770571.db2.gz IHKFJGRZUYZXDZ-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1ccc(=O)[nH]c1 ZINC000617763412 365765754 /nfs/dbraw/zinc/76/57/54/365765754.db2.gz QHMIMISTQCQSMD-UHFFFAOYSA-N 2 2 294.399 0.329 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1ccc(=O)[nH]c1 ZINC000617763412 365765761 /nfs/dbraw/zinc/76/57/61/365765761.db2.gz QHMIMISTQCQSMD-UHFFFAOYSA-N 2 2 294.399 0.329 20 0 CCADLP CCC[C@@](C)(O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765520 365770709 /nfs/dbraw/zinc/77/07/09/365770709.db2.gz DUEVVCLYGGYCSK-CQSZACIVSA-N 2 2 273.421 0.537 20 0 CCADLP C[C@@H](CC(=O)NCC[N@H+](C)CCC[NH+](C)C)n1cc[nH+]c1 ZINC000617763294 365766151 /nfs/dbraw/zinc/76/61/51/365766151.db2.gz LXFHNBVPWPUMCL-AWEZNQCLSA-N 3 2 295.431 0.834 20 0 CCADLP C[C@@H](CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1cc[nH+]c1 ZINC000617763294 365766159 /nfs/dbraw/zinc/76/61/59/365766159.db2.gz LXFHNBVPWPUMCL-AWEZNQCLSA-N 3 2 295.431 0.834 20 0 CCADLP CCC[C@@](C)(O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765520 365770713 /nfs/dbraw/zinc/77/07/13/365770713.db2.gz DUEVVCLYGGYCSK-CQSZACIVSA-N 2 2 273.421 0.537 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CC[C@@H]1CCOC1 ZINC000617765670 365771055 /nfs/dbraw/zinc/77/10/55/365771055.db2.gz LKAFYKXKDAQSOZ-CQSZACIVSA-N 2 2 285.432 0.803 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CC[C@@H]1CCOC1 ZINC000617765670 365771057 /nfs/dbraw/zinc/77/10/57/365771057.db2.gz LKAFYKXKDAQSOZ-CQSZACIVSA-N 2 2 285.432 0.803 20 0 CCADLP COC1(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)CCC1 ZINC000617765285 365771291 /nfs/dbraw/zinc/77/12/91/365771291.db2.gz ZTZSGIRJEJYTTJ-UHFFFAOYSA-N 2 2 285.432 0.945 20 0 CCADLP COC1(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCC1 ZINC000617765285 365771293 /nfs/dbraw/zinc/77/12/93/365771293.db2.gz ZTZSGIRJEJYTTJ-UHFFFAOYSA-N 2 2 285.432 0.945 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000423740727 529789859 /nfs/dbraw/zinc/78/98/59/529789859.db2.gz GYCCGBXUIRVMMJ-RDBSUJKOSA-N 2 2 283.416 0.731 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000423740727 529789861 /nfs/dbraw/zinc/78/98/61/529789861.db2.gz GYCCGBXUIRVMMJ-RDBSUJKOSA-N 2 2 283.416 0.731 20 0 CCADLP CN(C)c1[nH+]cc(CN(C)Cc2[nH+]ccn2C)n1C ZINC000425362715 529806397 /nfs/dbraw/zinc/80/63/97/529806397.db2.gz VRGJWWXQTNEFGC-UHFFFAOYSA-N 2 2 262.361 0.852 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114723056 349838258 /nfs/dbraw/zinc/83/82/58/349838258.db2.gz YOKRQTFPWVVINA-MCIONIFRSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114723056 349838262 /nfs/dbraw/zinc/83/82/62/349838262.db2.gz YOKRQTFPWVVINA-MCIONIFRSA-N 2 2 283.416 0.554 20 0 CCADLP CN1C[C@H](C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)OC1=O ZINC000495792329 529825636 /nfs/dbraw/zinc/82/56/36/529825636.db2.gz HLNWMCXMOBAOIQ-ZIAGYGMSSA-N 2 2 297.399 0.481 20 0 CCADLP CN1C[C@H](C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)OC1=O ZINC000495792329 529825638 /nfs/dbraw/zinc/82/56/38/529825638.db2.gz HLNWMCXMOBAOIQ-ZIAGYGMSSA-N 2 2 297.399 0.481 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H](CO)CC(C)(C)C ZINC000451780319 529827756 /nfs/dbraw/zinc/82/77/56/529827756.db2.gz NCVYLJORRXQNGA-CYBMUJFWSA-N 2 2 285.432 0.489 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H](CO)CC(C)(C)C ZINC000451780319 529827757 /nfs/dbraw/zinc/82/77/57/529827757.db2.gz NCVYLJORRXQNGA-CYBMUJFWSA-N 2 2 285.432 0.489 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000178861560 290705638 /nfs/dbraw/zinc/70/56/38/290705638.db2.gz RNFFBEUSRGQZRL-XQQFMLRXSA-N 2 2 269.389 0.021 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117022322 349879994 /nfs/dbraw/zinc/87/99/94/349879994.db2.gz LZJVDRRHYZOQFF-QWHCGFSZSA-N 2 2 295.387 0.244 20 0 CCADLP CN(C[C@H](O)C[N@H+](C)C1CC1)C(C)(C)C[NH+]1CCOCC1 ZINC000412099772 529941965 /nfs/dbraw/zinc/94/19/65/529941965.db2.gz QPWXCDWLNZWOQH-OAHLLOKOSA-N 2 2 299.459 0.484 20 0 CCADLP CN(C[C@H](O)C[N@@H+](C)C1CC1)C(C)(C)C[NH+]1CCOCC1 ZINC000412099772 529941966 /nfs/dbraw/zinc/94/19/66/529941966.db2.gz QPWXCDWLNZWOQH-OAHLLOKOSA-N 2 2 299.459 0.484 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C(C)(C)CN1CCOCC1 ZINC000412099772 529941968 /nfs/dbraw/zinc/94/19/68/529941968.db2.gz QPWXCDWLNZWOQH-OAHLLOKOSA-N 2 2 299.459 0.484 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C(C)(C)CN1CCOCC1 ZINC000412099772 529941969 /nfs/dbraw/zinc/94/19/69/529941969.db2.gz QPWXCDWLNZWOQH-OAHLLOKOSA-N 2 2 299.459 0.484 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+](C)C(C)(C)CN1CCOCC1)C1CC1 ZINC000412099772 529941970 /nfs/dbraw/zinc/94/19/70/529941970.db2.gz QPWXCDWLNZWOQH-OAHLLOKOSA-N 2 2 299.459 0.484 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+](C)C(C)(C)CN1CCOCC1)C1CC1 ZINC000412099772 529941972 /nfs/dbraw/zinc/94/19/72/529941972.db2.gz QPWXCDWLNZWOQH-OAHLLOKOSA-N 2 2 299.459 0.484 20 0 CCADLP C[N@@H+](CC(=O)NCC(F)(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000118843859 349908990 /nfs/dbraw/zinc/90/89/90/349908990.db2.gz INGXMXDXUATVDC-SNVBAGLBSA-N 2 2 281.322 0.939 20 0 CCADLP C[N@H+](CC(=O)NCC(F)(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000118843859 349908993 /nfs/dbraw/zinc/90/89/93/349908993.db2.gz INGXMXDXUATVDC-SNVBAGLBSA-N 2 2 281.322 0.939 20 0 CCADLP C[NH+](CC(=O)NCC(F)(F)F)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843859 349908995 /nfs/dbraw/zinc/90/89/95/349908995.db2.gz INGXMXDXUATVDC-SNVBAGLBSA-N 2 2 281.322 0.939 20 0 CCADLP C[NH+](CC(=O)NCC(F)(F)F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843859 349908997 /nfs/dbraw/zinc/90/89/97/349908997.db2.gz INGXMXDXUATVDC-SNVBAGLBSA-N 2 2 281.322 0.939 20 0 CCADLP CC(C)[NH2+]C1CC[NH+](C[C@@H](O)CN2CCCC2=O)CC1 ZINC000118950234 349911290 /nfs/dbraw/zinc/91/12/90/349911290.db2.gz OGOFHRVZQMWRCJ-CQSZACIVSA-N 2 2 283.416 0.432 20 0 CCADLP COC(=O)c1ccc(C[NH2+]CCC[NH+]2CCOCC2)n1C ZINC000601996322 362452557 /nfs/dbraw/zinc/45/25/57/362452557.db2.gz IWGMLTKXYDEIEO-UHFFFAOYSA-N 2 2 295.383 0.624 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](CCC(=O)Nc2cccnc2)CCO1 ZINC000358349776 232086186 /nfs/dbraw/zinc/08/61/86/232086186.db2.gz DDIKPERESYINHQ-LBPRGKRZSA-N 2 2 264.329 0.070 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CCC(=O)Nc2cccnc2)CCO1 ZINC000358349776 232086187 /nfs/dbraw/zinc/08/61/87/232086187.db2.gz DDIKPERESYINHQ-LBPRGKRZSA-N 2 2 264.329 0.070 20 0 CCADLP C[C@@H](CO)[N@@H+](CC(=O)N1CC[NH+](C)CC1)CC1CCC1 ZINC000361492570 232140368 /nfs/dbraw/zinc/14/03/68/232140368.db2.gz JQDDQRPHBNCILO-ZDUSSCGKSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@@H](CO)[N@H+](CC(=O)N1CC[NH+](C)CC1)CC1CCC1 ZINC000361492570 232140372 /nfs/dbraw/zinc/14/03/72/232140372.db2.gz JQDDQRPHBNCILO-ZDUSSCGKSA-N 2 2 283.416 0.243 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2cnn(C)c2)CC1 ZINC000273253528 192089085 /nfs/dbraw/zinc/08/90/85/192089085.db2.gz CNDKIUAUFJFYNW-CHWSQXEVSA-N 2 2 293.415 0.623 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)[nH]c1C ZINC000602526910 362658738 /nfs/dbraw/zinc/65/87/38/362658738.db2.gz QCIQIAUMWIHONE-ZDUSSCGKSA-N 2 2 295.383 0.656 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCc1[nH+]ccn1C ZINC000357781340 535019007 /nfs/dbraw/zinc/01/90/07/535019007.db2.gz OXIWMFITBGEQPN-NSHDSACASA-N 2 2 267.377 0.948 20 0 CCADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1[nH+]ccn1C ZINC000357781340 535019017 /nfs/dbraw/zinc/01/90/17/535019017.db2.gz OXIWMFITBGEQPN-NSHDSACASA-N 2 2 267.377 0.948 20 0 CCADLP O=C1NCCCC[C@@H]1[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000120233871 349975028 /nfs/dbraw/zinc/97/50/28/349975028.db2.gz NDOKFIDTJLRKRX-KGLIPLIRSA-N 2 2 281.400 0.309 20 0 CCADLP O=C1NCCCC[C@@H]1[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000120233871 349975030 /nfs/dbraw/zinc/97/50/30/349975030.db2.gz NDOKFIDTJLRKRX-KGLIPLIRSA-N 2 2 281.400 0.309 20 0 CCADLP C[NH2+][C@@H](C)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000518215681 290798117 /nfs/dbraw/zinc/79/81/17/290798117.db2.gz YDFMYNDFSASQTK-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H](NC(=O)N1C[C@H](C[NH3+])C[C@@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000417523104 299138511 /nfs/dbraw/zinc/13/85/11/299138511.db2.gz QZCMKRZOYPKFBP-XUXIUFHCSA-N 2 2 298.431 0.474 20 0 CCADLP OCCOCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000040694327 136753551 /nfs/dbraw/zinc/75/35/51/136753551.db2.gz RZAAPWQJXZQEEZ-UHFFFAOYSA-N 2 2 256.390 0.946 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2cc[nH]n2)CC1 ZINC000534718463 290816518 /nfs/dbraw/zinc/81/65/18/290816518.db2.gz QBQQIVUNWBLFNC-UHFFFAOYSA-N 2 2 294.403 0.235 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000261603554 137012004 /nfs/dbraw/zinc/01/20/04/137012004.db2.gz QTLZMTTXDYQFSR-RDBSUJKOSA-N 2 2 265.401 0.929 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000261603554 137012005 /nfs/dbraw/zinc/01/20/05/137012005.db2.gz QTLZMTTXDYQFSR-RDBSUJKOSA-N 2 2 265.401 0.929 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000262761556 137052682 /nfs/dbraw/zinc/05/26/82/137052682.db2.gz AKHVHKMGBVUYDA-LLVKDONJSA-N 2 2 262.313 0.314 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)NCc1[nH+]ccn1CC(C)C ZINC000262828252 137054120 /nfs/dbraw/zinc/05/41/20/137054120.db2.gz YZMZIQMLPAXRJL-LLVKDONJSA-N 2 2 268.361 0.519 20 0 CCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262988731 137056664 /nfs/dbraw/zinc/05/66/64/137056664.db2.gz NMFPPABQIDIZMN-LLVKDONJSA-N 2 2 298.337 0.875 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261705029 137016491 /nfs/dbraw/zinc/01/64/91/137016491.db2.gz LYAZBUVONUTZGG-TVQRCGJNSA-N 2 2 268.361 0.034 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261705029 137016492 /nfs/dbraw/zinc/01/64/92/137016492.db2.gz LYAZBUVONUTZGG-TVQRCGJNSA-N 2 2 268.361 0.034 20 0 CCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261713074 137016855 /nfs/dbraw/zinc/01/68/55/137016855.db2.gz PJDPOEIACZEMAG-GJZGRUSLSA-N 2 2 294.443 0.367 20 0 CCADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000261726669 137017307 /nfs/dbraw/zinc/01/73/07/137017307.db2.gz NXTTUBBZOREGOC-QMMMGPOBSA-N 2 2 276.262 0.814 20 0 CCADLP CC(C)C[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261792311 137020607 /nfs/dbraw/zinc/02/06/07/137020607.db2.gz GHMLXRZEIIYGKQ-CHWSQXEVSA-N 2 2 253.390 0.833 20 0 CCADLP CC(C)C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261792311 137020608 /nfs/dbraw/zinc/02/06/08/137020608.db2.gz GHMLXRZEIIYGKQ-CHWSQXEVSA-N 2 2 253.390 0.833 20 0 CCADLP C[C@H]([NH3+])CC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000261793490 137020670 /nfs/dbraw/zinc/02/06/70/137020670.db2.gz KMKJXDCIYMUWQV-ZETCQYMHSA-N 2 2 264.251 0.799 20 0 CCADLP O=c1n2ccccc2nn1CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261800910 137020718 /nfs/dbraw/zinc/02/07/18/137020718.db2.gz YREZFDNQDVLTGS-OLZOCXBDSA-N 2 2 287.367 0.037 20 0 CCADLP O=c1n2ccccc2nn1CC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261800910 137020719 /nfs/dbraw/zinc/02/07/19/137020719.db2.gz YREZFDNQDVLTGS-OLZOCXBDSA-N 2 2 287.367 0.037 20 0 CCADLP C[NH2+]C1CC[NH+](CCn2nc3ccccn3c2=O)CC1 ZINC000261859931 137022836 /nfs/dbraw/zinc/02/28/36/137022836.db2.gz XSFOOUBJOVRMNQ-UHFFFAOYSA-N 2 2 275.356 0.180 20 0 CCADLP C[C@@H]([NH3+])CC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000261918151 137025512 /nfs/dbraw/zinc/02/55/12/137025512.db2.gz XHNQBYXZOOSFPP-LLVKDONJSA-N 2 2 278.356 0.272 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)N(C)C ZINC000261926661 137025856 /nfs/dbraw/zinc/02/58/56/137025856.db2.gz LDAZWNDGIHNGMY-SYQHCUMBSA-N 2 2 255.406 0.683 20 0 CCADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000262172097 137029224 /nfs/dbraw/zinc/02/92/24/137029224.db2.gz CROHDRQKVZSQSI-UHFFFAOYSA-N 2 2 278.356 0.155 20 0 CCADLP CN(C)c1ccc(CNC(=O)C2(C[NH3+])CCOCC2)c[nH+]1 ZINC000262263274 137033851 /nfs/dbraw/zinc/03/38/51/137033851.db2.gz MKMIIPPRPMJUGB-UHFFFAOYSA-N 2 2 292.383 0.519 20 0 CCADLP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1cccc2c1OCO2 ZINC000263168150 137059391 /nfs/dbraw/zinc/05/93/91/137059391.db2.gz FJSLIPDWICZEQK-WDEREUQCSA-N 2 2 250.298 0.085 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)CCC1CC[NH2+]CC1 ZINC000263258851 137062257 /nfs/dbraw/zinc/06/22/57/137062257.db2.gz QSVVUWATQMUQGC-ZDUSSCGKSA-N 2 2 283.416 0.603 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)CCC1CC[NH2+]CC1 ZINC000263258851 137062258 /nfs/dbraw/zinc/06/22/58/137062258.db2.gz QSVVUWATQMUQGC-ZDUSSCGKSA-N 2 2 283.416 0.603 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)C1([NH3+])CCCCC1 ZINC000263285146 137063206 /nfs/dbraw/zinc/06/32/06/137063206.db2.gz UDISLRSFPMRXCC-CYBMUJFWSA-N 2 2 282.432 0.400 20 0 CCADLP COC(=O)[C@@H](C1CC1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000310776645 137072374 /nfs/dbraw/zinc/07/23/74/137072374.db2.gz ARVKFMFLNDDIBS-OCCSQVGLSA-N 2 2 252.358 0.966 20 0 CCADLP COC(=O)[C@@H](C1CC1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000310776645 137072375 /nfs/dbraw/zinc/07/23/75/137072375.db2.gz ARVKFMFLNDDIBS-OCCSQVGLSA-N 2 2 252.358 0.966 20 0 CCADLP COC(=O)[C@@H](C1CC1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000310776645 137072376 /nfs/dbraw/zinc/07/23/76/137072376.db2.gz ARVKFMFLNDDIBS-OCCSQVGLSA-N 2 2 252.358 0.966 20 0 CCADLP COC(=O)[C@@H](C1CC1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000310776645 137072377 /nfs/dbraw/zinc/07/23/77/137072377.db2.gz ARVKFMFLNDDIBS-OCCSQVGLSA-N 2 2 252.358 0.966 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000341261809 137086844 /nfs/dbraw/zinc/08/68/44/137086844.db2.gz DODQDCAZQUZDFJ-VOAKCMCISA-N 2 2 269.389 0.162 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000341261809 137086845 /nfs/dbraw/zinc/08/68/45/137086845.db2.gz DODQDCAZQUZDFJ-VOAKCMCISA-N 2 2 269.389 0.162 20 0 CCADLP [NH3+]CC[N@H+](CCO)CCCOc1ccc(F)cc1 ZINC000342381544 137090241 /nfs/dbraw/zinc/09/02/41/137090241.db2.gz GIHYGRXSLILGBE-UHFFFAOYSA-N 2 2 256.321 0.848 20 0 CCADLP [NH3+]CC[N@@H+](CCO)CCCOc1ccc(F)cc1 ZINC000342381544 137090242 /nfs/dbraw/zinc/09/02/42/137090242.db2.gz GIHYGRXSLILGBE-UHFFFAOYSA-N 2 2 256.321 0.848 20 0 CCADLP [NH3+]CC[N@H+](CCO)CCCc1nc(-c2ccccc2)no1 ZINC000342400661 137091091 /nfs/dbraw/zinc/09/10/91/137091091.db2.gz LNGNJXKUKJMNQI-UHFFFAOYSA-N 2 2 290.367 0.922 20 0 CCADLP [NH3+]CC[N@@H+](CCO)CCCc1nc(-c2ccccc2)no1 ZINC000342400661 137091092 /nfs/dbraw/zinc/09/10/92/137091092.db2.gz LNGNJXKUKJMNQI-UHFFFAOYSA-N 2 2 290.367 0.922 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000342946193 137105531 /nfs/dbraw/zinc/10/55/31/137105531.db2.gz KUKKBYJPEWXDDV-QWHCGFSZSA-N 2 2 264.373 0.929 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000342946193 137105532 /nfs/dbraw/zinc/10/55/32/137105532.db2.gz KUKKBYJPEWXDDV-QWHCGFSZSA-N 2 2 264.373 0.929 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC2(C(N)=O)CCOCC2)C1 ZINC000343269914 137123425 /nfs/dbraw/zinc/12/34/25/137123425.db2.gz DHJBBPGPWZHKPE-VXGBXAGGSA-N 2 2 269.389 0.198 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC2(C(N)=O)CCOCC2)C1 ZINC000343269914 137123426 /nfs/dbraw/zinc/12/34/26/137123426.db2.gz DHJBBPGPWZHKPE-VXGBXAGGSA-N 2 2 269.389 0.198 20 0 CCADLP C[C@H](C(=O)N(CC[NH3+])Cc1ccccc1)[NH+]1CCOCC1 ZINC000343794907 137158023 /nfs/dbraw/zinc/15/80/23/137158023.db2.gz SLNVLMZGPYQKNA-CQSZACIVSA-N 2 2 291.395 0.695 20 0 CCADLP CSCC[C@H]([NH3+])C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000011755049 348018657 /nfs/dbraw/zinc/01/86/57/348018657.db2.gz DGRPQLDCJSENCP-LBPRGKRZSA-N 2 2 294.424 0.811 20 0 CCADLP O=C(NCC[NH+]1CCOCC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000019478710 348062791 /nfs/dbraw/zinc/06/27/91/348062791.db2.gz VLXSOGYXOOCDRE-RDBSUJKOSA-N 2 2 281.400 0.356 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@]2(CCO)CCOC2)C1 ZINC000344787981 137213614 /nfs/dbraw/zinc/21/36/14/137213614.db2.gz JBHIIEZYJZCYKM-BFHYXJOUSA-N 2 2 256.390 0.705 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@]2(CCO)CCOC2)C1 ZINC000344787981 137213615 /nfs/dbraw/zinc/21/36/15/137213615.db2.gz JBHIIEZYJZCYKM-BFHYXJOUSA-N 2 2 256.390 0.705 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+](C)C2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000036300665 348165858 /nfs/dbraw/zinc/16/58/58/348165858.db2.gz GYAXIXFSHBTBJY-VXGBXAGGSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000036300665 348165861 /nfs/dbraw/zinc/16/58/61/348165861.db2.gz GYAXIXFSHBTBJY-VXGBXAGGSA-N 2 2 269.389 0.306 20 0 CCADLP CC[C@H]([NH3+])C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000040770584 348242185 /nfs/dbraw/zinc/24/21/85/348242185.db2.gz LYBKZEFPGBARFB-STQMWFEESA-N 2 2 270.421 0.112 20 0 CCADLP CC[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000040832856 348244198 /nfs/dbraw/zinc/24/41/98/348244198.db2.gz HEMRLKVYEIZMMZ-OAHLLOKOSA-N 2 2 291.395 0.872 20 0 CCADLP CSCC[C@H]([NH3+])C(=O)NCCCn1cc[nH+]c1 ZINC000040459264 348234981 /nfs/dbraw/zinc/23/49/81/348234981.db2.gz VUYHFQQCRUSWEE-JTQLQIEISA-N 2 2 256.375 0.470 20 0 CCADLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)NC[C@H]3CCCO3)C2)C1 ZINC000339433505 215167705 /nfs/dbraw/zinc/16/77/05/215167705.db2.gz KOCKUHMMNSUJSU-ZBFHGGJFSA-N 2 2 295.427 0.699 20 0 CCADLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)NC[C@H]3CCCO3)C2)C1 ZINC000339433505 215167709 /nfs/dbraw/zinc/16/77/09/215167709.db2.gz KOCKUHMMNSUJSU-ZBFHGGJFSA-N 2 2 295.427 0.699 20 0 CCADLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)NC[C@H]3CCCO3)C2)C1 ZINC000339433505 215167711 /nfs/dbraw/zinc/16/77/11/215167711.db2.gz KOCKUHMMNSUJSU-ZBFHGGJFSA-N 2 2 295.427 0.699 20 0 CCADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)NC[C@H]3CCCO3)C2)C1 ZINC000339433505 215167714 /nfs/dbraw/zinc/16/77/14/215167714.db2.gz KOCKUHMMNSUJSU-ZBFHGGJFSA-N 2 2 295.427 0.699 20 0 CCADLP C[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)[C@H]1CCCO1 ZINC000346560921 137293165 /nfs/dbraw/zinc/29/31/65/137293165.db2.gz PLBKIJSBNIVTGR-JKSUJKDBSA-N 2 2 299.459 0.534 20 0 CCADLP COCCn1cc(C[N@H+](C)C2CC[NH2+]CC2)cn1 ZINC000347097811 137320178 /nfs/dbraw/zinc/32/01/78/137320178.db2.gz KEMANLNGJRHBAL-UHFFFAOYSA-N 2 2 252.362 0.713 20 0 CCADLP COCCn1cc(C[N@@H+](C)C2CC[NH2+]CC2)cn1 ZINC000347097811 137320179 /nfs/dbraw/zinc/32/01/79/137320179.db2.gz KEMANLNGJRHBAL-UHFFFAOYSA-N 2 2 252.362 0.713 20 0 CCADLP CCOC(=O)CCCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989436 362925360 /nfs/dbraw/zinc/92/53/60/362925360.db2.gz OXMNWDFOZDOSKK-UHFFFAOYSA-N 2 2 299.415 0.426 20 0 CCADLP CCOC(=O)CCCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989436 362925366 /nfs/dbraw/zinc/92/53/66/362925366.db2.gz OXMNWDFOZDOSKK-UHFFFAOYSA-N 2 2 299.415 0.426 20 0 CCADLP CCOC1CC([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000347462619 137338110 /nfs/dbraw/zinc/33/81/10/137338110.db2.gz YZRDATOFYMIEQM-UHFFFAOYSA-N 2 2 269.389 0.260 20 0 CCADLP CCOC1CC([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000347462619 137338111 /nfs/dbraw/zinc/33/81/11/137338111.db2.gz YZRDATOFYMIEQM-UHFFFAOYSA-N 2 2 269.389 0.260 20 0 CCADLP Cc1cnn(C)c1C[N@H+](CCO)C1CC[NH+](C)CC1 ZINC000347665517 137348711 /nfs/dbraw/zinc/34/87/11/137348711.db2.gz FIOCZYZVELQHLN-UHFFFAOYSA-N 2 2 266.389 0.617 20 0 CCADLP Cc1cnn(C)c1C[N@@H+](CCO)C1CC[NH+](C)CC1 ZINC000347665517 137348712 /nfs/dbraw/zinc/34/87/12/137348712.db2.gz FIOCZYZVELQHLN-UHFFFAOYSA-N 2 2 266.389 0.617 20 0 CCADLP C[NH+](C)Cc1cnc(C[N@H+](C)CC(C)(CO)CO)s1 ZINC000347855648 137361092 /nfs/dbraw/zinc/36/10/92/137361092.db2.gz BBEUPAFKYSXKKU-UHFFFAOYSA-N 2 2 287.429 0.627 20 0 CCADLP C[NH+](C)Cc1cnc(C[N@@H+](C)CC(C)(CO)CO)s1 ZINC000347855648 137361093 /nfs/dbraw/zinc/36/10/93/137361093.db2.gz BBEUPAFKYSXKKU-UHFFFAOYSA-N 2 2 287.429 0.627 20 0 CCADLP COC(=O)c1cc(C[NH2+]CCn2cc[nH+]c2)cn1C ZINC000347935594 137365029 /nfs/dbraw/zinc/36/50/29/137365029.db2.gz HEGYQAOSNXOHTG-UHFFFAOYSA-N 2 2 262.313 0.798 20 0 CCADLP CC[NH+]1CCC(N(C)C(=O)[C@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000348882574 137379989 /nfs/dbraw/zinc/37/99/89/137379989.db2.gz YYJVZAUHLVOJFP-AWEZNQCLSA-N 2 2 296.459 0.565 20 0 CCADLP C[NH2+][C@@H](C)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000054075335 348541397 /nfs/dbraw/zinc/54/13/97/348541397.db2.gz PSIZRCGTNYAXDY-LBPRGKRZSA-N 2 2 262.357 0.334 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000062857628 348670665 /nfs/dbraw/zinc/67/06/65/348670665.db2.gz YCZMFIXUUCHDTC-ZDUSSCGKSA-N 2 2 250.346 0.768 20 0 CCADLP CC[C@]1(C(=O)NCCCn2cc[nH+]c2)CC[NH2+]C1 ZINC000062890132 348671508 /nfs/dbraw/zinc/67/15/08/348671508.db2.gz DAUOCYXFNHVBJZ-ZDUSSCGKSA-N 2 2 250.346 0.779 20 0 CCADLP C[C@@]1(C(=O)N2CC[NH+](Cc3ccccn3)CC2)CC[NH2+]C1 ZINC000062894776 348671953 /nfs/dbraw/zinc/67/19/53/348671953.db2.gz HUUJTFVNWZNIBJ-MRXNPFEDSA-N 2 2 288.395 0.725 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976700 348674354 /nfs/dbraw/zinc/67/43/54/348674354.db2.gz SEKRCIUIQUSRQR-XQQFMLRXSA-N 2 2 269.389 0.293 20 0 CCADLP C[NH2+]CC1CC[NH+](CC(=O)Nc2cc(C)on2)CC1 ZINC000063166037 348680062 /nfs/dbraw/zinc/68/00/62/348680062.db2.gz MULLCVGEDFYXHS-UHFFFAOYSA-N 2 2 266.345 0.853 20 0 CCADLP CCC[NH+]1CCC([NH2+]C[C@@H]2CN(C)CCN2C)CC1 ZINC000068800709 348822411 /nfs/dbraw/zinc/82/24/11/348822411.db2.gz WPQYVUNEEVHQJA-OAHLLOKOSA-N 2 2 268.449 0.696 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@H](O)COc1ccccc1 ZINC000068804960 348822868 /nfs/dbraw/zinc/82/28/68/348822868.db2.gz HWKZIDCBVGJYNF-CABCVRRESA-N 2 2 293.411 0.262 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@H](O)COc1ccccc1 ZINC000068804960 348822872 /nfs/dbraw/zinc/82/28/72/348822872.db2.gz HWKZIDCBVGJYNF-CABCVRRESA-N 2 2 293.411 0.262 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000069136812 348832622 /nfs/dbraw/zinc/83/26/22/348832622.db2.gz NWAWIRUPQIHWNY-WDEREUQCSA-N 2 2 257.359 0.438 20 0 CCADLP CC(C)[N@@H+]1CCCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000069610031 348855715 /nfs/dbraw/zinc/85/57/15/348855715.db2.gz LPHPVEJVPZDYAW-HNNXBMFYSA-N 2 2 285.432 0.096 20 0 CCADLP CC(C)[N@H+]1CCCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000069610031 348855717 /nfs/dbraw/zinc/85/57/17/348855717.db2.gz LPHPVEJVPZDYAW-HNNXBMFYSA-N 2 2 285.432 0.096 20 0 CCADLP CN(C)C(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069802694 348861348 /nfs/dbraw/zinc/86/13/48/348861348.db2.gz HETPBRJJKPAGNU-CQSZACIVSA-N 2 2 283.416 0.509 20 0 CCADLP CN(C)C(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069802694 348861349 /nfs/dbraw/zinc/86/13/49/348861349.db2.gz HETPBRJJKPAGNU-CQSZACIVSA-N 2 2 283.416 0.509 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000070173906 348876867 /nfs/dbraw/zinc/87/68/67/348876867.db2.gz WUKPCEIVOOZYPL-NEPJUHHUSA-N 2 2 296.415 0.814 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000070173906 348876870 /nfs/dbraw/zinc/87/68/70/348876870.db2.gz WUKPCEIVOOZYPL-NEPJUHHUSA-N 2 2 296.415 0.814 20 0 CCADLP CC[C@@H](O)C[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000075644812 349043650 /nfs/dbraw/zinc/04/36/50/349043650.db2.gz XIDGNUJJKBAAJQ-TZMCWYRMSA-N 2 2 256.390 0.942 20 0 CCADLP CC[C@@H](O)C[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000075644812 349043654 /nfs/dbraw/zinc/04/36/54/349043654.db2.gz XIDGNUJJKBAAJQ-TZMCWYRMSA-N 2 2 256.390 0.942 20 0 CCADLP CNC(=O)C[NH+]1CCC(Nc2cc[nH+]c(N(C)C)n2)CC1 ZINC000077189218 349100805 /nfs/dbraw/zinc/10/08/05/349100805.db2.gz SJAYWNOMMNNAPC-UHFFFAOYSA-N 2 2 292.387 0.165 20 0 CCADLP C[N@H+](CCC(F)(F)F)CC(=O)N1CC[NH2+]CC1 ZINC000080944991 349234689 /nfs/dbraw/zinc/23/46/89/349234689.db2.gz VWRXSEYZQXKWNF-UHFFFAOYSA-N 2 2 253.268 0.302 20 0 CCADLP C[N@@H+](CCC(F)(F)F)CC(=O)N1CC[NH2+]CC1 ZINC000080944991 349234691 /nfs/dbraw/zinc/23/46/91/349234691.db2.gz VWRXSEYZQXKWNF-UHFFFAOYSA-N 2 2 253.268 0.302 20 0 CCADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccnn1C ZINC000080203712 349203829 /nfs/dbraw/zinc/20/38/29/349203829.db2.gz FDZSKPVUXUKQMF-GFCCVEGCSA-N 2 2 252.362 0.621 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000081338562 349258403 /nfs/dbraw/zinc/25/84/03/349258403.db2.gz KORVDSPDPOGVDG-QWHCGFSZSA-N 2 2 292.383 0.836 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000081338562 349258404 /nfs/dbraw/zinc/25/84/04/349258404.db2.gz KORVDSPDPOGVDG-QWHCGFSZSA-N 2 2 292.383 0.836 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000081396782 349261862 /nfs/dbraw/zinc/26/18/62/349261862.db2.gz IUGDADVQNWPPGG-GFCCVEGCSA-N 2 2 266.345 0.110 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000081396782 349261864 /nfs/dbraw/zinc/26/18/64/349261864.db2.gz IUGDADVQNWPPGG-GFCCVEGCSA-N 2 2 266.345 0.110 20 0 CCADLP CN(C)c1nc(NC[C@@H]2C[N@H+](C)CCO2)cc[nH+]1 ZINC000086485461 349340929 /nfs/dbraw/zinc/34/09/29/349340929.db2.gz YPSYUTJBMCWXRQ-SNVBAGLBSA-N 2 2 251.334 0.285 20 0 CCADLP CN(C)c1nc(NC[C@@H]2C[N@@H+](C)CCO2)cc[nH+]1 ZINC000086485461 349340931 /nfs/dbraw/zinc/34/09/31/349340931.db2.gz YPSYUTJBMCWXRQ-SNVBAGLBSA-N 2 2 251.334 0.285 20 0 CCADLP COC(=O)CCNC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123583006 350077499 /nfs/dbraw/zinc/07/74/99/350077499.db2.gz OFQPSZDMQNXENI-NWDGAFQWSA-N 2 2 285.388 0.080 20 0 CCADLP COC(=O)CCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123583006 350077501 /nfs/dbraw/zinc/07/75/01/350077501.db2.gz OFQPSZDMQNXENI-NWDGAFQWSA-N 2 2 285.388 0.080 20 0 CCADLP COC(=O)CCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123583006 350077503 /nfs/dbraw/zinc/07/75/03/350077503.db2.gz OFQPSZDMQNXENI-NWDGAFQWSA-N 2 2 285.388 0.080 20 0 CCADLP COC(=O)CCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123583006 350077504 /nfs/dbraw/zinc/07/75/04/350077504.db2.gz OFQPSZDMQNXENI-NWDGAFQWSA-N 2 2 285.388 0.080 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000121519179 350042684 /nfs/dbraw/zinc/04/26/84/350042684.db2.gz VZLLVEOSAYEPMV-LBPRGKRZSA-N 2 2 282.413 0.516 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000121519179 350042688 /nfs/dbraw/zinc/04/26/88/350042688.db2.gz VZLLVEOSAYEPMV-LBPRGKRZSA-N 2 2 282.413 0.516 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000121636910 350049830 /nfs/dbraw/zinc/04/98/30/350049830.db2.gz NPILQGPVHVGGDH-HNNXBMFYSA-N 2 2 283.416 0.698 20 0 CCADLP C[N@@H+]1CCN(C(=O)CC2=CCCCC2)[C@H](C[NH3+])C1 ZINC000122593586 350067100 /nfs/dbraw/zinc/06/71/00/350067100.db2.gz SRCILPPWGVOXLD-CYBMUJFWSA-N 2 2 251.374 0.978 20 0 CCADLP C[N@H+]1CCN(C(=O)CC2=CCCCC2)[C@H](C[NH3+])C1 ZINC000122593586 350067101 /nfs/dbraw/zinc/06/71/01/350067101.db2.gz SRCILPPWGVOXLD-CYBMUJFWSA-N 2 2 251.374 0.978 20 0 CCADLP [NH3+]Cc1nc(C(=O)NCCn2cc[nH+]c2)cs1 ZINC000090931529 180065378 /nfs/dbraw/zinc/06/53/78/180065378.db2.gz ZBIKGDSQNSVHCS-UHFFFAOYSA-N 2 2 251.315 0.228 20 0 CCADLP C[NH2+]CCC[N@H+](C)CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000129784363 350222886 /nfs/dbraw/zinc/22/28/86/350222886.db2.gz UTKVJSFODPWGIC-RYUDHWBXSA-N 2 2 257.378 0.164 20 0 CCADLP C[NH2+]CCC[N@@H+](C)CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000129784363 350222889 /nfs/dbraw/zinc/22/28/89/350222889.db2.gz UTKVJSFODPWGIC-RYUDHWBXSA-N 2 2 257.378 0.164 20 0 CCADLP COc1c(N)[nH+]cnc1N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000129909708 350226033 /nfs/dbraw/zinc/22/60/33/350226033.db2.gz BNIVHHATCMJZFI-DTORHVGOSA-N 2 2 251.334 0.596 20 0 CCADLP COc1c(N)[nH+]cnc1N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000129909708 350226034 /nfs/dbraw/zinc/22/60/34/350226034.db2.gz BNIVHHATCMJZFI-DTORHVGOSA-N 2 2 251.334 0.596 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000131158733 350265267 /nfs/dbraw/zinc/26/52/67/350265267.db2.gz PBAWWJZOHKOGEJ-UHFFFAOYSA-N 2 2 256.309 0.953 20 0 CCADLP C[NH+](C)CCNC(=O)NCCCNc1cccc[nH+]1 ZINC000133452898 350335871 /nfs/dbraw/zinc/33/58/71/350335871.db2.gz GAFSHIFIDNJKOP-UHFFFAOYSA-N 2 2 265.361 0.744 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)Cn1cccn1 ZINC000133783037 350344503 /nfs/dbraw/zinc/34/45/03/350344503.db2.gz LTEXPGUZDGDAQR-FRRDWIJNSA-N 2 2 252.362 0.628 20 0 CCADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCCCn2cc[nH+]c2)C1(C)C ZINC000133894773 350347940 /nfs/dbraw/zinc/34/79/40/350347940.db2.gz LXBJFKKHKJBZHN-DOMZBBRYSA-N 2 2 294.399 0.922 20 0 CCADLP CC(C)OCC[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000105931216 186092052 /nfs/dbraw/zinc/09/20/52/186092052.db2.gz IWRCOMTWRQBKMU-UHFFFAOYSA-N 2 2 266.389 0.963 20 0 CCADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCCc1ccc(F)cc1 ZINC000107574063 186180060 /nfs/dbraw/zinc/18/00/60/186180060.db2.gz GRGYPRDIFORYPL-OKILXGFUSA-N 2 2 291.370 0.636 20 0 CCADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCCc1ccc(F)cc1 ZINC000107574063 186180062 /nfs/dbraw/zinc/18/00/62/186180062.db2.gz GRGYPRDIFORYPL-OKILXGFUSA-N 2 2 291.370 0.636 20 0 CCADLP C[C@H](CN[C@@H]1CC[N@@H+](C2CC2)C1)C[NH+]1CCOCC1 ZINC000153275740 350555961 /nfs/dbraw/zinc/55/59/61/350555961.db2.gz VAKFKRTZBPKNQS-ZIAGYGMSSA-N 2 2 267.417 0.781 20 0 CCADLP C[C@H](CN[C@@H]1CC[N@H+](C2CC2)C1)C[NH+]1CCOCC1 ZINC000153275740 350555962 /nfs/dbraw/zinc/55/59/62/350555962.db2.gz VAKFKRTZBPKNQS-ZIAGYGMSSA-N 2 2 267.417 0.781 20 0 CCADLP CCC[NH+]1CCC([N@H+](C)CC(=O)NC(=O)NC)CC1 ZINC000109787129 186271741 /nfs/dbraw/zinc/27/17/41/186271741.db2.gz IBVMJOMGUMNMOP-UHFFFAOYSA-N 2 2 270.377 0.248 20 0 CCADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)NC(=O)NC)CC1 ZINC000109787129 186271742 /nfs/dbraw/zinc/27/17/42/186271742.db2.gz IBVMJOMGUMNMOP-UHFFFAOYSA-N 2 2 270.377 0.248 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H](C)Cn1cc[nH+]c1)[NH+](C)C ZINC000155361881 350616745 /nfs/dbraw/zinc/61/67/45/350616745.db2.gz DIKLWMZFRRVQIN-NEPJUHHUSA-N 2 2 252.362 0.976 20 0 CCADLP Cc1noc([C@@H](C)N2CC[NH+](CCn3cc[nH+]c3)CC2)n1 ZINC000162972446 350757563 /nfs/dbraw/zinc/75/75/63/350757563.db2.gz GALZHGNMMIRGDA-GFCCVEGCSA-N 2 2 290.371 0.953 20 0 CCADLP O=C(CCC1CC[NH2+]CC1)NCCc1[nH]cc[nH+]1 ZINC000161594969 350725918 /nfs/dbraw/zinc/72/59/18/350725918.db2.gz SNDJSOUQENJMLD-UHFFFAOYSA-N 2 2 250.346 0.848 20 0 CCADLP O=C(C[NH2+]CC1CC1)NCc1cccnc1-n1cc[nH+]c1 ZINC000164801110 350782709 /nfs/dbraw/zinc/78/27/09/350782709.db2.gz FLHCDJFJDALBNG-UHFFFAOYSA-N 2 2 285.351 0.883 20 0 CCADLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C(=O)N1CCOCC1 ZINC000165029462 350786940 /nfs/dbraw/zinc/78/69/40/350786940.db2.gz NDUCWNYEZPNGMS-MGPQQGTHSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)N1CCOCC1 ZINC000165029462 350786944 /nfs/dbraw/zinc/78/69/44/350786944.db2.gz NDUCWNYEZPNGMS-MGPQQGTHSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCC[NH2+]C1)Cn1cc[nH+]c1 ZINC000165580564 350791715 /nfs/dbraw/zinc/79/17/15/350791715.db2.gz YVAFPUPNMYEENW-NWDGAFQWSA-N 2 2 250.346 0.635 20 0 CCADLP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)[C@@H]1CCC[NH2+]1 ZINC000165975283 350794936 /nfs/dbraw/zinc/79/49/36/350794936.db2.gz XRPLPHRKLOLVOG-GXTWGEPZSA-N 2 2 299.440 0.063 20 0 CCADLP [NH3+]C1(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)CC1 ZINC000167146076 350805991 /nfs/dbraw/zinc/80/59/91/350805991.db2.gz NGPDYPKTGQRMJM-UHFFFAOYSA-N 2 2 275.352 0.528 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@H]1CCCC[NH2+]1)[NH+]1CCOCC1 ZINC000167685232 350813003 /nfs/dbraw/zinc/81/30/03/350813003.db2.gz ZHUSPZFCTIVYGE-YNEHKIRRSA-N 2 2 269.389 0.354 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000170774141 350859460 /nfs/dbraw/zinc/85/94/60/350859460.db2.gz DMGJFFBQZZMSTP-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000170774141 350859462 /nfs/dbraw/zinc/85/94/62/350859462.db2.gz DMGJFFBQZZMSTP-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP COC(=O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171306368 350900409 /nfs/dbraw/zinc/90/04/09/350900409.db2.gz HONNCAJKTMOCNQ-BETUJISGSA-N 2 2 284.400 0.981 20 0 CCADLP COC(=O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171306368 350900411 /nfs/dbraw/zinc/90/04/11/350900411.db2.gz HONNCAJKTMOCNQ-BETUJISGSA-N 2 2 284.400 0.981 20 0 CCADLP Cc1nc(N2CC[NH+](CCCCO)CC2)cc[nH+]1 ZINC000172765742 351009677 /nfs/dbraw/zinc/00/96/77/351009677.db2.gz IJONQBJLCBQCKG-UHFFFAOYSA-N 2 2 250.346 0.680 20 0 CCADLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000171923166 350943694 /nfs/dbraw/zinc/94/36/94/350943694.db2.gz KUASHFJZSHZQIA-UHFFFAOYSA-N 2 2 279.388 0.300 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000174411990 351084739 /nfs/dbraw/zinc/08/47/39/351084739.db2.gz QZTDXMSBHDKQKB-GXTWGEPZSA-N 2 2 295.383 0.719 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000174411990 351084744 /nfs/dbraw/zinc/08/47/44/351084744.db2.gz QZTDXMSBHDKQKB-GXTWGEPZSA-N 2 2 295.383 0.719 20 0 CCADLP COC(C)(C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177140995 351194206 /nfs/dbraw/zinc/19/42/06/351194206.db2.gz JLJYNJZPQBMSMF-UHFFFAOYSA-N 2 2 271.405 0.554 20 0 CCADLP Cc1nc([C@@H]2C[N@H+](CC3CC[NH2+]CC3)CCO2)n[nH]1 ZINC000178982324 351256363 /nfs/dbraw/zinc/25/63/63/351256363.db2.gz DCPQWPSFGHOFFN-LBPRGKRZSA-N 2 2 265.361 0.486 20 0 CCADLP Cc1nc([C@@H]2C[N@@H+](CC3CC[NH2+]CC3)CCO2)n[nH]1 ZINC000178982324 351256364 /nfs/dbraw/zinc/25/63/64/351256364.db2.gz DCPQWPSFGHOFFN-LBPRGKRZSA-N 2 2 265.361 0.486 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCCOC1 ZINC000180486158 351286831 /nfs/dbraw/zinc/28/68/31/351286831.db2.gz HVFQWOUVSQFTJB-CYBMUJFWSA-N 2 2 269.389 0.119 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCCOC1 ZINC000180486158 351286834 /nfs/dbraw/zinc/28/68/34/351286834.db2.gz HVFQWOUVSQFTJB-CYBMUJFWSA-N 2 2 269.389 0.119 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCOC3(CCCCC3)C2)CC1 ZINC000180513620 351287448 /nfs/dbraw/zinc/28/74/48/351287448.db2.gz CFWHNBRQPPTDSH-UHFFFAOYSA-N 2 2 295.427 0.796 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCOC3(CCCCC3)C2)CC1 ZINC000180513620 351287452 /nfs/dbraw/zinc/28/74/52/351287452.db2.gz CFWHNBRQPPTDSH-UHFFFAOYSA-N 2 2 295.427 0.796 20 0 CCADLP C[C@H]1C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CCO1 ZINC000179865723 351277312 /nfs/dbraw/zinc/27/73/12/351277312.db2.gz VRJPPOYMMVHKAN-ZDUSSCGKSA-N 2 2 291.399 0.449 20 0 CCADLP C[C@H]1C[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CCO1 ZINC000179865723 351277317 /nfs/dbraw/zinc/27/73/17/351277317.db2.gz VRJPPOYMMVHKAN-ZDUSSCGKSA-N 2 2 291.399 0.449 20 0 CCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000182631421 351366335 /nfs/dbraw/zinc/36/63/35/351366335.db2.gz YAYMKYNAVMWJHK-ZDUSSCGKSA-N 2 2 290.367 0.917 20 0 CCADLP Cn1ccc(CC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)n1 ZINC000183723087 351389266 /nfs/dbraw/zinc/38/92/66/351389266.db2.gz OQYAFHSNAXAOKZ-UHFFFAOYSA-N 2 2 293.415 0.105 20 0 CCADLP C[C@@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)CC[N@@H+]1CCO ZINC000188786680 351628779 /nfs/dbraw/zinc/62/87/79/351628779.db2.gz VYDWMHSYVKDZGS-GFCCVEGCSA-N 2 2 288.351 0.473 20 0 CCADLP C[C@@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)CC[N@H+]1CCO ZINC000188786680 351628785 /nfs/dbraw/zinc/62/87/85/351628785.db2.gz VYDWMHSYVKDZGS-GFCCVEGCSA-N 2 2 288.351 0.473 20 0 CCADLP C[N@@H+]1CCC[C@H](NC(=O)NCCn2cc[nH+]c2)C1 ZINC000618547756 366042585 /nfs/dbraw/zinc/04/25/85/366042585.db2.gz YEBZAVAVLQSCRP-NSHDSACASA-N 2 2 251.334 0.277 20 0 CCADLP C[N@H+]1CCC[C@H](NC(=O)NCCn2cc[nH+]c2)C1 ZINC000618547756 366042590 /nfs/dbraw/zinc/04/25/90/366042590.db2.gz YEBZAVAVLQSCRP-NSHDSACASA-N 2 2 251.334 0.277 20 0 CCADLP C[C@H](O)C[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@@H](C)CO ZINC000190836445 351736921 /nfs/dbraw/zinc/73/69/21/351736921.db2.gz PPLGOKFEAQWZEE-STQMWFEESA-N 2 2 290.367 0.831 20 0 CCADLP C[C@H](O)C[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@@H](C)CO ZINC000190836445 351736923 /nfs/dbraw/zinc/73/69/23/351736923.db2.gz PPLGOKFEAQWZEE-STQMWFEESA-N 2 2 290.367 0.831 20 0 CCADLP C[C@H]1C[N@@H+](CCN2CC[NH+](CC3CC3)CC2)CCO1 ZINC000191455364 351759117 /nfs/dbraw/zinc/75/91/17/351759117.db2.gz OASAVNRNCDFFKH-AWEZNQCLSA-N 2 2 267.417 0.735 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2ccncn2)CC1 ZINC000194163687 351857551 /nfs/dbraw/zinc/85/75/51/351857551.db2.gz SHPCGNDEZBPNKW-UHFFFAOYSA-N 2 2 292.387 0.624 20 0 CCADLP COc1ccc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1O ZINC000225317893 352001194 /nfs/dbraw/zinc/00/11/94/352001194.db2.gz DXUUQQURBXLZTA-ZDUSSCGKSA-N 2 2 279.384 0.736 20 0 CCADLP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]([NH3+])C2)C1 ZINC000225319059 352001207 /nfs/dbraw/zinc/00/12/07/352001207.db2.gz VUKDMYOEXZPTAU-VXGBXAGGSA-N 2 2 275.418 0.081 20 0 CCADLP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]([NH3+])C2)C1 ZINC000225319059 352001208 /nfs/dbraw/zinc/00/12/08/352001208.db2.gz VUKDMYOEXZPTAU-VXGBXAGGSA-N 2 2 275.418 0.081 20 0 CCADLP CO[C@H](C[NH3+])C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000227343015 352044897 /nfs/dbraw/zinc/04/48/97/352044897.db2.gz SJUBYPUBTPVPJF-CQSZACIVSA-N 2 2 277.368 0.305 20 0 CCADLP CON(C)C(=O)C1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000291979615 198124095 /nfs/dbraw/zinc/12/40/95/198124095.db2.gz WELZGOFVBITLGM-UHFFFAOYSA-N 2 2 266.345 0.615 20 0 CCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000226402401 352026270 /nfs/dbraw/zinc/02/62/70/352026270.db2.gz HCOWLBDGCHKIPY-GXTWGEPZSA-N 2 2 261.369 0.719 20 0 CCADLP CO[C@H]1CCC[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000226436362 352027813 /nfs/dbraw/zinc/02/78/13/352027813.db2.gz UGZYALKSKPZGLS-VIFPVBQESA-N 2 2 254.334 0.874 20 0 CCADLP CO[C@H]1CCC[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000226436362 352027815 /nfs/dbraw/zinc/02/78/15/352027815.db2.gz UGZYALKSKPZGLS-VIFPVBQESA-N 2 2 254.334 0.874 20 0 CCADLP C[N@@H+]1CCN(Cc2cnn(-c3ccccc3)c2)[C@@H](C[NH3+])C1 ZINC000226605566 352030413 /nfs/dbraw/zinc/03/04/13/352030413.db2.gz HWQXZLXOPVCIAQ-INIZCTEOSA-N 2 2 285.395 0.947 20 0 CCADLP C[N@H+]1CCN(Cc2cnn(-c3ccccc3)c2)[C@@H](C[NH3+])C1 ZINC000226605566 352030414 /nfs/dbraw/zinc/03/04/14/352030414.db2.gz HWQXZLXOPVCIAQ-INIZCTEOSA-N 2 2 285.395 0.947 20 0 CCADLP CCCNC(=O)CN(C)C(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231669719 352131716 /nfs/dbraw/zinc/13/17/16/352131716.db2.gz VDIXQPAMUAJDPR-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CCCNC(=O)CN(C)C(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000231669719 352131719 /nfs/dbraw/zinc/13/17/19/352131719.db2.gz VDIXQPAMUAJDPR-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000228726425 352083200 /nfs/dbraw/zinc/08/32/00/352083200.db2.gz SWUTWEAPTKLGMY-AWEZNQCLSA-N 2 2 265.357 0.188 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCC[S@@](C)=O)n1C ZINC000229197444 352088597 /nfs/dbraw/zinc/08/85/97/352088597.db2.gz JPOPDPOOGDJOGX-QGZVFWFLSA-N 2 2 258.391 0.344 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC000230069676 352101440 /nfs/dbraw/zinc/10/14/40/352101440.db2.gz WZARCVFAWJWARM-RWMBFGLXSA-N 2 2 262.357 0.859 20 0 CCADLP C[NH+]1CCN(CCNc2nc[nH+]c(N)c2Cl)CC1 ZINC000234347990 352158267 /nfs/dbraw/zinc/15/82/67/352158267.db2.gz KXLLTUJBJYZBJS-UHFFFAOYSA-N 2 2 270.768 0.372 20 0 CCADLP COC[C@@H](C[NH2+]Cc1c[nH+]c(N(C)C)n1C)OC ZINC000234713833 352167371 /nfs/dbraw/zinc/16/73/71/352167371.db2.gz SHNBTLIOTJBBGY-LLVKDONJSA-N 2 2 256.350 0.237 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000232115464 352140468 /nfs/dbraw/zinc/14/04/68/352140468.db2.gz WBJDQDIAKCMZLP-CQSZACIVSA-N 2 2 292.383 0.090 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000232118300 352141047 /nfs/dbraw/zinc/14/10/47/352141047.db2.gz HZARFTXUVNWQFV-LBPRGKRZSA-N 2 2 290.367 0.825 20 0 CCADLP CC[NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000236997596 352235308 /nfs/dbraw/zinc/23/53/08/352235308.db2.gz XWHKDZRJLADLES-UHFFFAOYSA-N 2 2 259.313 0.607 20 0 CCADLP CC(C)([NH3+])CNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000236639964 352201827 /nfs/dbraw/zinc/20/18/27/352201827.db2.gz WNWAIJKPAANAAI-UHFFFAOYSA-N 2 2 259.313 0.734 20 0 CCADLP CC(C)([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000236797425 352215625 /nfs/dbraw/zinc/21/56/25/352215625.db2.gz QQGJVLXEBIWCRF-AWEZNQCLSA-N 2 2 291.395 0.913 20 0 CCADLP CC[C@H]([NH3+])C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000236918535 352227700 /nfs/dbraw/zinc/22/77/00/352227700.db2.gz QRNWLAVYBMMIOD-YPMHNXCESA-N 2 2 292.383 0.660 20 0 CCADLP COC(=O)[C@@H]1C[C@H](F)C[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000603434905 363132113 /nfs/dbraw/zinc/13/21/13/363132113.db2.gz UPUJAQMOYKWHNI-SRVKXCTJSA-N 2 2 258.337 0.962 20 0 CCADLP COC(=O)[C@@H]1C[C@H](F)C[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000603434905 363132117 /nfs/dbraw/zinc/13/21/17/363132117.db2.gz UPUJAQMOYKWHNI-SRVKXCTJSA-N 2 2 258.337 0.962 20 0 CCADLP C[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000237450660 352265573 /nfs/dbraw/zinc/26/55/73/352265573.db2.gz SVBYOJBPFSSUGH-LLVKDONJSA-N 2 2 263.341 0.384 20 0 CCADLP COCC[NH2+]CC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000237182305 352250621 /nfs/dbraw/zinc/25/06/21/352250621.db2.gz BRQMGJDCVNRXMN-UHFFFAOYSA-N 2 2 297.424 0.458 20 0 CCADLP COCC[NH2+]CC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000237182305 352250626 /nfs/dbraw/zinc/25/06/26/352250626.db2.gz BRQMGJDCVNRXMN-UHFFFAOYSA-N 2 2 297.424 0.458 20 0 CCADLP O=C([C@@H]1CC[NH2+]C1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000237980954 352292160 /nfs/dbraw/zinc/29/21/60/352292160.db2.gz DYCAWYNNZKNXJH-CQSZACIVSA-N 2 2 289.379 0.646 20 0 CCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)[C@H]1COCC[NH2+]1 ZINC000238096921 352297950 /nfs/dbraw/zinc/29/79/50/352297950.db2.gz NWGUIGMOJBYSNV-GFCCVEGCSA-N 2 2 295.408 0.211 20 0 CCADLP O=C(NCC[N@H+]1CCc2sccc2C1)[C@H]1COCC[NH2+]1 ZINC000238096921 352297952 /nfs/dbraw/zinc/29/79/52/352297952.db2.gz NWGUIGMOJBYSNV-GFCCVEGCSA-N 2 2 295.408 0.211 20 0 CCADLP O=C(Cc1cn2ccccc2[nH+]1)N[C@@H]1CCC[NH2+]C1 ZINC000238125914 352298490 /nfs/dbraw/zinc/29/84/90/352298490.db2.gz QAVQJFSEEODCLJ-LLVKDONJSA-N 2 2 258.325 0.745 20 0 CCADLP COC[C@H](O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245541616 352327086 /nfs/dbraw/zinc/32/70/86/352327086.db2.gz OIQCLTBFLJWLGY-YNEHKIRRSA-N 2 2 253.346 0.773 20 0 CCADLP COC[C@H](O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245541616 352327089 /nfs/dbraw/zinc/32/70/89/352327089.db2.gz OIQCLTBFLJWLGY-YNEHKIRRSA-N 2 2 253.346 0.773 20 0 CCADLP [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000246224456 352355107 /nfs/dbraw/zinc/35/51/07/352355107.db2.gz HCXAFWYMDYLCBO-BFHYXJOUSA-N 2 2 281.400 0.437 20 0 CCADLP Cc1cc(C)c(CNC(=O)NCCN2CC[NH2+]CC2)c[nH+]1 ZINC000418264335 234044573 /nfs/dbraw/zinc/04/45/73/234044573.db2.gz MHFVHWRIQZBTEN-UHFFFAOYSA-N 2 2 291.399 0.403 20 0 CCADLP C[C@@H](C[N@@H+]1CC[C@@H](C[NH+](C)C)C1)CS(C)(=O)=O ZINC000246664007 352377476 /nfs/dbraw/zinc/37/74/76/352377476.db2.gz WOAGZHLGMXFFBZ-RYUDHWBXSA-N 2 2 262.419 0.551 20 0 CCADLP C[C@@H](C[N@H+]1CC[C@@H](C[NH+](C)C)C1)CS(C)(=O)=O ZINC000246664007 352377479 /nfs/dbraw/zinc/37/74/79/352377479.db2.gz WOAGZHLGMXFFBZ-RYUDHWBXSA-N 2 2 262.419 0.551 20 0 CCADLP O[C@H](CN1CCC[C@H]1C[NH+]1CCCC1)C[NH+]1CCOCC1 ZINC000246241962 352357076 /nfs/dbraw/zinc/35/70/76/352357076.db2.gz JHWHBRLNCCEVJS-HOTGVXAUSA-N 2 2 297.443 0.240 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@H]2CC[C@@H]([NH3+])C2)CCO1 ZINC000246262860 352357924 /nfs/dbraw/zinc/35/79/24/352357924.db2.gz LEWLAFQKBSCKGO-NWDGAFQWSA-N 2 2 269.389 0.341 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@H]2CC[C@@H]([NH3+])C2)CCO1 ZINC000246262860 352357925 /nfs/dbraw/zinc/35/79/25/352357925.db2.gz LEWLAFQKBSCKGO-NWDGAFQWSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NC[C@H]2CCCO2)CC[N@@H+]1C ZINC000247389799 352412210 /nfs/dbraw/zinc/41/22/10/352412210.db2.gz VQZKMNFEHLVVCF-HZSPNIEDSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NC[C@H]2CCCO2)CC[N@H+]1C ZINC000247389799 352412213 /nfs/dbraw/zinc/41/22/13/352412213.db2.gz VQZKMNFEHLVVCF-HZSPNIEDSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)NC[C@H]2CCCO2)CC[NH+]1C ZINC000247389799 352412215 /nfs/dbraw/zinc/41/22/15/352412215.db2.gz VQZKMNFEHLVVCF-HZSPNIEDSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NC[C@H]2CCCO2)CC[NH+]1C ZINC000247389799 352412218 /nfs/dbraw/zinc/41/22/18/352412218.db2.gz VQZKMNFEHLVVCF-HZSPNIEDSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000247155312 352401586 /nfs/dbraw/zinc/40/15/86/352401586.db2.gz XGIFVZNVHKGZQT-QLFBSQMISA-N 3 2 268.449 0.695 20 0 CCADLP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000247155312 352401591 /nfs/dbraw/zinc/40/15/91/352401591.db2.gz XGIFVZNVHKGZQT-QLFBSQMISA-N 3 2 268.449 0.695 20 0 CCADLP COc1ccnc(N2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)n1 ZINC000262049716 352573405 /nfs/dbraw/zinc/57/34/05/352573405.db2.gz QDMULDNITSGNMA-HNNXBMFYSA-N 2 2 291.399 0.607 20 0 CCADLP [NH3+][C@@H](CNC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000418503245 234141819 /nfs/dbraw/zinc/14/18/19/234141819.db2.gz XDAUGUQGEYTBRK-ZDUSSCGKSA-N 2 2 289.383 0.651 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000418712562 234213070 /nfs/dbraw/zinc/21/30/70/234213070.db2.gz XKQPPJDLXVFQNB-UPJWGTAASA-N 2 2 284.404 0.228 20 0 CCADLP CN(C)c1ncc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)s1 ZINC000269831086 352878696 /nfs/dbraw/zinc/87/86/96/352878696.db2.gz SDEDRVOJUPQGCU-GFCCVEGCSA-N 2 2 272.418 0.611 20 0 CCADLP C[NH+](C)C/C=C/C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000270102647 352904019 /nfs/dbraw/zinc/90/40/19/352904019.db2.gz WTBPIRVRUQGMKQ-VUDGCMKMSA-N 2 2 274.368 0.894 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCc3n[nH]cc3C2)CC1 ZINC000270563530 352948353 /nfs/dbraw/zinc/94/83/53/352948353.db2.gz VKNRZCLQEKHSQC-LBPRGKRZSA-N 2 2 291.399 0.320 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCc3n[nH]cc3C2)CC1 ZINC000270563530 352948355 /nfs/dbraw/zinc/94/83/55/352948355.db2.gz VKNRZCLQEKHSQC-LBPRGKRZSA-N 2 2 291.399 0.320 20 0 CCADLP C[NH+](C)CC(=O)N1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000270580500 352951127 /nfs/dbraw/zinc/95/11/27/352951127.db2.gz PYKRJBMLODMVQT-UHFFFAOYSA-N 2 2 287.367 0.773 20 0 CCADLP CSCC[C@@H]([NH3+])C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000272307560 353051493 /nfs/dbraw/zinc/05/14/93/353051493.db2.gz IDUBDMUNCBLXGO-LLVKDONJSA-N 2 2 282.413 0.844 20 0 CCADLP CCOC(=O)[C@@](C)(O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000274242828 353114921 /nfs/dbraw/zinc/11/49/21/353114921.db2.gz WPRRPZASIRMFRY-AWEZNQCLSA-N 2 2 281.356 0.903 20 0 CCADLP CCOC(=O)[C@](C)(O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000274564156 353141463 /nfs/dbraw/zinc/14/14/63/353141463.db2.gz CUOMONIAVCDBPP-SMDDNHRTSA-N 2 2 281.356 0.903 20 0 CCADLP CCOC(=O)[C@](C)(O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000274564156 353141466 /nfs/dbraw/zinc/14/14/66/353141466.db2.gz CUOMONIAVCDBPP-SMDDNHRTSA-N 2 2 281.356 0.903 20 0 CCADLP C[C@@H]([NH3+])CCC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000277443739 353243499 /nfs/dbraw/zinc/24/34/99/353243499.db2.gz FLASTXTZDATYTA-SNVBAGLBSA-N 2 2 250.346 0.891 20 0 CCADLP COC(=O)[C@H]1C[N@H+](CCn2cc[nH+]c2C)C[C@@H](C)O1 ZINC000282509914 353430911 /nfs/dbraw/zinc/43/09/11/353430911.db2.gz RUOBPZUPJAJABR-ZYHUDNBSSA-N 2 2 267.329 0.454 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](CCn2cc[nH+]c2C)C[C@@H](C)O1 ZINC000282509914 353430913 /nfs/dbraw/zinc/43/09/13/353430913.db2.gz RUOBPZUPJAJABR-ZYHUDNBSSA-N 2 2 267.329 0.454 20 0 CCADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000292734015 198393022 /nfs/dbraw/zinc/39/30/22/198393022.db2.gz PVBPWASZEQLESF-SDEBIZQBSA-N 2 2 290.367 0.745 20 0 CCADLP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)nn1 ZINC000283205495 353489771 /nfs/dbraw/zinc/48/97/71/353489771.db2.gz RPDLGKRJNQFFDH-NSHDSACASA-N 2 2 250.346 0.869 20 0 CCADLP COc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)nn1 ZINC000283205495 353489773 /nfs/dbraw/zinc/48/97/73/353489773.db2.gz RPDLGKRJNQFFDH-NSHDSACASA-N 2 2 250.346 0.869 20 0 CCADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000283484741 353511406 /nfs/dbraw/zinc/51/14/06/353511406.db2.gz QDECSAQIRFELQD-LBPRGKRZSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000283484741 353511409 /nfs/dbraw/zinc/51/14/09/353511409.db2.gz QDECSAQIRFELQD-LBPRGKRZSA-N 2 2 294.399 0.646 20 0 CCADLP O=C(NCCn1cc[nH+]c1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000287378445 353641997 /nfs/dbraw/zinc/64/19/97/353641997.db2.gz RKJOQLSTYWMJKF-AWEZNQCLSA-N 2 2 292.383 0.500 20 0 CCADLP O=C(NCCn1cc[nH+]c1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000287378445 353642000 /nfs/dbraw/zinc/64/20/00/353642000.db2.gz RKJOQLSTYWMJKF-AWEZNQCLSA-N 2 2 292.383 0.500 20 0 CCADLP C[NH+](C)CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000287812426 353668564 /nfs/dbraw/zinc/66/85/64/353668564.db2.gz JRMMETBKGMOFOJ-HNNXBMFYSA-N 2 2 291.395 0.565 20 0 CCADLP C[NH+](C)CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000287812426 353668565 /nfs/dbraw/zinc/66/85/65/353668565.db2.gz JRMMETBKGMOFOJ-HNNXBMFYSA-N 2 2 291.395 0.565 20 0 CCADLP CC1(C)[NH2+]CC[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655465481 412584002 /nfs/dbraw/zinc/58/40/02/412584002.db2.gz MPDWFFMWQRDNKA-GHMZBOCLSA-N 2 2 262.357 0.702 20 0 CCADLP C[C@@H](O)CNc1cc(N2CC[C@]3(CC[N@H+](C)C3)C2)nc[nH+]1 ZINC000299081985 353989370 /nfs/dbraw/zinc/98/93/70/353989370.db2.gz VVILDNILBQQNHS-DOMZBBRYSA-N 2 2 291.399 0.801 20 0 CCADLP C[C@@H](O)CNc1cc(N2CC[C@]3(CC[N@@H+](C)C3)C2)nc[nH+]1 ZINC000299081985 353989374 /nfs/dbraw/zinc/98/93/74/353989374.db2.gz VVILDNILBQQNHS-DOMZBBRYSA-N 2 2 291.399 0.801 20 0 CCADLP C[C@@H](O)CNc1cc(N2CC[C@]3(CC[N@H+](C)C3)C2)[nH+]cn1 ZINC000299081985 353989378 /nfs/dbraw/zinc/98/93/78/353989378.db2.gz VVILDNILBQQNHS-DOMZBBRYSA-N 2 2 291.399 0.801 20 0 CCADLP C[C@@H](O)CNc1cc(N2CC[C@]3(CC[N@@H+](C)C3)C2)[nH+]cn1 ZINC000299081985 353989381 /nfs/dbraw/zinc/98/93/81/353989381.db2.gz VVILDNILBQQNHS-DOMZBBRYSA-N 2 2 291.399 0.801 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000354293875 299211071 /nfs/dbraw/zinc/21/10/71/299211071.db2.gz BBEFKJNWZSLUAY-ZQDZILKHSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000354293875 299211075 /nfs/dbraw/zinc/21/10/75/299211075.db2.gz BBEFKJNWZSLUAY-ZQDZILKHSA-N 2 2 297.443 0.942 20 0 CCADLP CC[NH+](CC)C[C@H]1CCN(C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000304313257 354112754 /nfs/dbraw/zinc/11/27/54/354112754.db2.gz NBVIFBIOLXMTNH-CVEARBPZSA-N 2 2 299.459 0.343 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC000305238231 354141072 /nfs/dbraw/zinc/14/10/72/354141072.db2.gz ZOALRIGBWIHETN-KUHUBIRLSA-N 2 2 284.425 0.826 20 0 CCADLP C[N@@H+]1CCN(C(=O)Nc2ccnn2C(C)(C)C)[C@H](C[NH3+])C1 ZINC000557002165 291019938 /nfs/dbraw/zinc/01/99/38/291019938.db2.gz HJDBHZKMEPCRDE-LLVKDONJSA-N 2 2 294.403 0.745 20 0 CCADLP C[N@H+]1CCN(C(=O)Nc2ccnn2C(C)(C)C)[C@H](C[NH3+])C1 ZINC000557002165 291019940 /nfs/dbraw/zinc/01/99/40/291019940.db2.gz HJDBHZKMEPCRDE-LLVKDONJSA-N 2 2 294.403 0.745 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)C1CCOCC1 ZINC000310808590 354191939 /nfs/dbraw/zinc/19/19/39/354191939.db2.gz BRZUYAGUFZKGRG-CYBMUJFWSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)C1CCOCC1 ZINC000310808590 354191941 /nfs/dbraw/zinc/19/19/41/354191941.db2.gz BRZUYAGUFZKGRG-CYBMUJFWSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)C1CCOCC1 ZINC000310808590 354191945 /nfs/dbraw/zinc/19/19/45/354191945.db2.gz BRZUYAGUFZKGRG-CYBMUJFWSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)C1CCOCC1 ZINC000310808590 354191948 /nfs/dbraw/zinc/19/19/48/354191948.db2.gz BRZUYAGUFZKGRG-CYBMUJFWSA-N 2 2 260.378 0.036 20 0 CCADLP CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000311432452 354200050 /nfs/dbraw/zinc/20/00/50/354200050.db2.gz DCFWZLSMAFVJQP-MGPQQGTHSA-N 2 2 274.405 0.425 20 0 CCADLP CC[C@@H]1CO[C@H](C)C[N@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000311432452 354200053 /nfs/dbraw/zinc/20/00/53/354200053.db2.gz DCFWZLSMAFVJQP-MGPQQGTHSA-N 2 2 274.405 0.425 20 0 CCADLP CC[C@@H]1CO[C@H](C)C[NH+]1C[C@H](O)C[N@H+](C)CCOC ZINC000311432452 354200056 /nfs/dbraw/zinc/20/00/56/354200056.db2.gz DCFWZLSMAFVJQP-MGPQQGTHSA-N 2 2 274.405 0.425 20 0 CCADLP CC[C@@H]1CO[C@H](C)C[NH+]1C[C@H](O)C[N@@H+](C)CCOC ZINC000311432452 354200058 /nfs/dbraw/zinc/20/00/58/354200058.db2.gz DCFWZLSMAFVJQP-MGPQQGTHSA-N 2 2 274.405 0.425 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)NCc2c[nH+]cn2C)CC[N@@H+]1C ZINC000336399304 213257126 /nfs/dbraw/zinc/25/71/26/213257126.db2.gz WFQJDCIWJSPROH-ZDUSSCGKSA-N 2 2 279.388 0.902 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)NCc2c[nH+]cn2C)CC[N@H+]1C ZINC000336399304 213257129 /nfs/dbraw/zinc/25/71/29/213257129.db2.gz WFQJDCIWJSPROH-ZDUSSCGKSA-N 2 2 279.388 0.902 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(CCO)CC1 ZINC000311638259 354202671 /nfs/dbraw/zinc/20/26/71/354202671.db2.gz APVVVDOUNXZGTD-AWEZNQCLSA-N 2 2 274.405 0.020 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(CCO)CC1 ZINC000311638259 354202672 /nfs/dbraw/zinc/20/26/72/354202672.db2.gz APVVVDOUNXZGTD-AWEZNQCLSA-N 2 2 274.405 0.020 20 0 CCADLP CCOC(=O)[C@@H](CC)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000311793976 354203087 /nfs/dbraw/zinc/20/30/87/354203087.db2.gz MNHKALOEHLCBBF-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C[NH+]1CCCC1 ZINC000312117908 354206641 /nfs/dbraw/zinc/20/66/41/354206641.db2.gz RUWKTGXNWHDHPB-UKRRQHHQSA-N 3 2 269.433 0.763 20 0 CCADLP C[C@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C[NH+]1CCCC1 ZINC000312117908 354206642 /nfs/dbraw/zinc/20/66/42/354206642.db2.gz RUWKTGXNWHDHPB-UKRRQHHQSA-N 3 2 269.433 0.763 20 0 CCADLP Cn1c[nH+]c(CC[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000313267645 354212938 /nfs/dbraw/zinc/21/29/38/354212938.db2.gz UPEPMQLDJVUUMN-CYBMUJFWSA-N 3 2 252.362 0.007 20 0 CCADLP Cn1c[nH+]c(CC[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000313267645 354212942 /nfs/dbraw/zinc/21/29/42/354212942.db2.gz UPEPMQLDJVUUMN-CYBMUJFWSA-N 3 2 252.362 0.007 20 0 CCADLP Cn1c[nH+]c(CC[NH2+]C[C@H](O)COCc2ccco2)c1 ZINC000313287455 354213452 /nfs/dbraw/zinc/21/34/52/354213452.db2.gz XIAIZKZAEMWGDY-ZDUSSCGKSA-N 2 2 279.340 0.723 20 0 CCADLP CC1CCN(C(=O)C[N@@H+]2CCCO[C@H](C[NH3+])C2)CC1 ZINC000313349022 354213824 /nfs/dbraw/zinc/21/38/24/354213824.db2.gz UQJKVVLKCAFJDI-CYBMUJFWSA-N 2 2 269.389 0.295 20 0 CCADLP CC1CCN(C(=O)C[N@H+]2CCCO[C@H](C[NH3+])C2)CC1 ZINC000313349022 354213826 /nfs/dbraw/zinc/21/38/26/354213826.db2.gz UQJKVVLKCAFJDI-CYBMUJFWSA-N 2 2 269.389 0.295 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000163182526 188600824 /nfs/dbraw/zinc/60/08/24/188600824.db2.gz YMIRGVZKVDJMFA-UWVGGRQHSA-N 2 2 278.381 0.925 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000163182526 188600825 /nfs/dbraw/zinc/60/08/25/188600825.db2.gz YMIRGVZKVDJMFA-UWVGGRQHSA-N 2 2 278.381 0.925 20 0 CCADLP CC[NH+](CC)CCCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000557137253 291023126 /nfs/dbraw/zinc/02/31/26/291023126.db2.gz FQAOBKKRQPVQSP-CYBMUJFWSA-N 3 2 285.436 0.003 20 0 CCADLP CC[NH+](CC)CCCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000557137253 291023127 /nfs/dbraw/zinc/02/31/27/291023127.db2.gz FQAOBKKRQPVQSP-CYBMUJFWSA-N 3 2 285.436 0.003 20 0 CCADLP O=C1NCCN1CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000328609508 354235943 /nfs/dbraw/zinc/23/59/43/354235943.db2.gz MVPCCXNCZCBZGY-UHFFFAOYSA-N 2 2 263.345 0.750 20 0 CCADLP COCC1(CCNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CCC1 ZINC000557232159 291028511 /nfs/dbraw/zinc/02/85/11/291028511.db2.gz HONFKSKWVLDPGS-CYBMUJFWSA-N 2 2 298.431 0.478 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000336383559 213239979 /nfs/dbraw/zinc/23/99/79/213239979.db2.gz JQHNTBLFJMZLDJ-FZMZJTMJSA-N 2 2 265.401 0.927 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000336383559 213239982 /nfs/dbraw/zinc/23/99/82/213239982.db2.gz JQHNTBLFJMZLDJ-FZMZJTMJSA-N 2 2 265.401 0.927 20 0 CCADLP CCOC[C@H](O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000331307535 354527474 /nfs/dbraw/zinc/52/74/74/354527474.db2.gz SDVGXJCTAKFBDA-NWDGAFQWSA-N 2 2 253.346 0.987 20 0 CCADLP CCOC[C@H](O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000331307535 354527478 /nfs/dbraw/zinc/52/74/78/354527478.db2.gz SDVGXJCTAKFBDA-NWDGAFQWSA-N 2 2 253.346 0.987 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC2(CO)CCC2)CC1 ZINC000331387790 354559491 /nfs/dbraw/zinc/55/94/91/354559491.db2.gz CBAKYQRCNOROQK-UHFFFAOYSA-N 2 2 298.431 0.227 20 0 CCADLP Cc1nc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc[nH+]1 ZINC000608082645 363400575 /nfs/dbraw/zinc/40/05/75/363400575.db2.gz ISWIUKKFHLWJCP-OLZOCXBDSA-N 2 2 262.357 0.820 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[NH2+]C[C@@H]1C ZINC000334596624 354905180 /nfs/dbraw/zinc/90/51/80/354905180.db2.gz FSCQDBJHTHLWIR-QWRGUYRKSA-N 2 2 251.334 0.275 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000334604462 354909030 /nfs/dbraw/zinc/90/90/30/354909030.db2.gz PMQIZEAEPPABLM-QWRGUYRKSA-N 2 2 251.334 0.275 20 0 CCADLP O=C1[C@H]([N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)CCN1C1CC1 ZINC000334981577 354939464 /nfs/dbraw/zinc/93/94/64/354939464.db2.gz STQKZSQAGMLSRB-UKRRQHHQSA-N 2 2 263.385 0.825 20 0 CCADLP O=C1[C@H]([N@H+]2CCC[C@]3(CC[NH2+]C3)C2)CCN1C1CC1 ZINC000334981577 354939467 /nfs/dbraw/zinc/93/94/67/354939467.db2.gz STQKZSQAGMLSRB-UKRRQHHQSA-N 2 2 263.385 0.825 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)CCn2cc[nH+]c2)CC[N@H+]1C ZINC000335892015 355038686 /nfs/dbraw/zinc/03/86/86/355038686.db2.gz CCNFLKNDWYMDBV-NEPJUHHUSA-N 2 2 250.346 0.824 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)CCn2cc[nH+]c2)CC[N@@H+]1C ZINC000335892015 355038687 /nfs/dbraw/zinc/03/86/87/355038687.db2.gz CCNFLKNDWYMDBV-NEPJUHHUSA-N 2 2 250.346 0.824 20 0 CCADLP Cc1csc(=O)n1CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000335907517 355043064 /nfs/dbraw/zinc/04/30/64/355043064.db2.gz QTTNJUJFJOKEDT-NEPJUHHUSA-N 2 2 267.398 0.902 20 0 CCADLP Cc1csc(=O)n1CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000335907517 355043066 /nfs/dbraw/zinc/04/30/66/355043066.db2.gz QTTNJUJFJOKEDT-NEPJUHHUSA-N 2 2 267.398 0.902 20 0 CCADLP Cc1[nH+]ccn1CCCN(C)C(=O)[C@@H]1CSC[NH2+]1 ZINC000423846483 235096324 /nfs/dbraw/zinc/09/63/24/235096324.db2.gz PKACRSCTAJTOOK-NSHDSACASA-N 2 2 268.386 0.703 20 0 CCADLP C[N@H+](CCC[NH+]1CCCC1)C[C@@H]1CCS(=O)(=O)C1 ZINC000336708815 355145127 /nfs/dbraw/zinc/14/51/27/355145127.db2.gz LRYXXPWEPQOYSP-ZDUSSCGKSA-N 2 2 274.430 0.839 20 0 CCADLP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H]1CCS(=O)(=O)C1 ZINC000336708815 355145130 /nfs/dbraw/zinc/14/51/30/355145130.db2.gz LRYXXPWEPQOYSP-ZDUSSCGKSA-N 2 2 274.430 0.839 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCSC[C@@H]1CCO ZINC000336718231 355148354 /nfs/dbraw/zinc/14/83/54/355148354.db2.gz WXPCCYAKZLXOSK-LBPRGKRZSA-N 2 2 255.387 0.991 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCSC[C@@H]1CCO ZINC000336718231 355148358 /nfs/dbraw/zinc/14/83/58/355148358.db2.gz WXPCCYAKZLXOSK-LBPRGKRZSA-N 2 2 255.387 0.991 20 0 CCADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC000336726668 355151899 /nfs/dbraw/zinc/15/18/99/355151899.db2.gz LNNJSRYLPWZDKG-STQMWFEESA-N 2 2 251.374 0.539 20 0 CCADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+]([C@H]2CCNC2=O)C1 ZINC000336726668 355151903 /nfs/dbraw/zinc/15/19/03/355151903.db2.gz LNNJSRYLPWZDKG-STQMWFEESA-N 2 2 251.374 0.539 20 0 CCADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000336726668 355151907 /nfs/dbraw/zinc/15/19/07/355151907.db2.gz LNNJSRYLPWZDKG-STQMWFEESA-N 2 2 251.374 0.539 20 0 CCADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC000336726668 355151910 /nfs/dbraw/zinc/15/19/10/355151910.db2.gz LNNJSRYLPWZDKG-STQMWFEESA-N 2 2 251.374 0.539 20 0 CCADLP CS[C@@H]1CN(CC[NH+]2CCOCC2)C[C@H]1[NH+](C)C ZINC000336736929 355155806 /nfs/dbraw/zinc/15/58/06/355155806.db2.gz ZAELDATYFUAZFL-CHWSQXEVSA-N 2 2 273.446 0.296 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000336833906 355207062 /nfs/dbraw/zinc/20/70/62/355207062.db2.gz HFQNQAWHWUHJDP-RYUDHWBXSA-N 2 2 282.388 0.154 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000336833906 355207066 /nfs/dbraw/zinc/20/70/66/355207066.db2.gz HFQNQAWHWUHJDP-RYUDHWBXSA-N 2 2 282.388 0.154 20 0 CCADLP CN1CC[C@H]([N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)C1=O ZINC000336798502 355171953 /nfs/dbraw/zinc/17/19/53/355171953.db2.gz FCLVURZTILOHJS-KBPBESRZSA-N 2 2 265.401 0.881 20 0 CCADLP CN1CC[C@H]([N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)C1=O ZINC000336798502 355171957 /nfs/dbraw/zinc/17/19/57/355171957.db2.gz FCLVURZTILOHJS-KBPBESRZSA-N 2 2 265.401 0.881 20 0 CCADLP CN1CC[C@H]([NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)C1=O ZINC000336798502 355171960 /nfs/dbraw/zinc/17/19/60/355171960.db2.gz FCLVURZTILOHJS-KBPBESRZSA-N 2 2 265.401 0.881 20 0 CCADLP CN1CC[C@H]([NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C1=O ZINC000336798502 355171963 /nfs/dbraw/zinc/17/19/63/355171963.db2.gz FCLVURZTILOHJS-KBPBESRZSA-N 2 2 265.401 0.881 20 0 CCADLP C(C[NH+]1CCOCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000336799461 355173074 /nfs/dbraw/zinc/17/30/74/355173074.db2.gz IQJVPVSJGKKIFN-HNNXBMFYSA-N 2 2 267.417 0.736 20 0 CCADLP O=C(C[C@H]1CCC[NH2+]1)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424178646 235170596 /nfs/dbraw/zinc/17/05/96/235170596.db2.gz RQWFFXWXDKYAKI-VHSXEESVSA-N 2 2 261.316 0.490 20 0 CCADLP c1cnn(CC[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)c1 ZINC000336801976 355177036 /nfs/dbraw/zinc/17/70/36/355177036.db2.gz SBASGOLNUWVLGV-UHFFFAOYSA-N 2 2 260.345 0.424 20 0 CCADLP [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000424180440 235171191 /nfs/dbraw/zinc/17/11/91/235171191.db2.gz VOWLMBGXHRTZLJ-GARJFASQSA-N 2 2 275.343 0.865 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000336815666 355190191 /nfs/dbraw/zinc/19/01/91/355190191.db2.gz INCKTSVNYBVUAP-XQQFMLRXSA-N 2 2 269.389 0.069 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000336815666 355190192 /nfs/dbraw/zinc/19/01/92/355190192.db2.gz INCKTSVNYBVUAP-XQQFMLRXSA-N 2 2 269.389 0.069 20 0 CCADLP [NH3+]Cc1cc(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)ccn1 ZINC000424194988 235176439 /nfs/dbraw/zinc/17/64/39/235176439.db2.gz SNKVQRJHFGNODD-JTQLQIEISA-N 2 2 284.310 0.515 20 0 CCADLP C[N@@H+](Cc1cnn(-c2ccccc2)c1)C[C@@H](O)C[NH3+] ZINC000336819084 355192054 /nfs/dbraw/zinc/19/20/54/355192054.db2.gz YDZQSPUUOREIHQ-AWEZNQCLSA-N 2 2 260.341 0.624 20 0 CCADLP C[N@H+](Cc1cnn(-c2ccccc2)c1)C[C@@H](O)C[NH3+] ZINC000336819084 355192056 /nfs/dbraw/zinc/19/20/56/355192056.db2.gz YDZQSPUUOREIHQ-AWEZNQCLSA-N 2 2 260.341 0.624 20 0 CCADLP CN(CC[C@H]1CCC[N@@H+]1C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000336822905 355197262 /nfs/dbraw/zinc/19/72/62/355197262.db2.gz NKCIREHFSBYEPM-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP CN(CC[C@H]1CCC[N@H+]1C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000336822905 355197265 /nfs/dbraw/zinc/19/72/65/355197265.db2.gz NKCIREHFSBYEPM-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP Cc1noc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000336824205 355198694 /nfs/dbraw/zinc/19/86/94/355198694.db2.gz TUWBQPGQOANMMV-UHFFFAOYSA-N 2 2 281.404 0.836 20 0 CCADLP Cc1noc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000336824205 355198697 /nfs/dbraw/zinc/19/86/97/355198697.db2.gz TUWBQPGQOANMMV-UHFFFAOYSA-N 2 2 281.404 0.836 20 0 CCADLP [NH3+][C@@H]1C[C@@H]1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000424155193 235163651 /nfs/dbraw/zinc/16/36/51/235163651.db2.gz MKHNFRIJTGDQQA-NKWVEPMBSA-N 2 2 262.235 0.409 20 0 CCADLP COCCCCC[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424299303 235195227 /nfs/dbraw/zinc/19/52/27/235195227.db2.gz SMVJEBKHVNSHLY-UONOGXRCSA-N 2 2 266.389 0.963 20 0 CCADLP COCCCCC[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424299303 235195231 /nfs/dbraw/zinc/19/52/31/235195231.db2.gz SMVJEBKHVNSHLY-UONOGXRCSA-N 2 2 266.389 0.963 20 0 CCADLP Cc1cc[nH+]cc1N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000337272460 355294661 /nfs/dbraw/zinc/29/46/61/355294661.db2.gz DLFCAAREDFMVNS-UHFFFAOYSA-N 2 2 262.357 0.600 20 0 CCADLP CC[NH+](CC)CCCN(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000338313062 355318801 /nfs/dbraw/zinc/31/88/01/355318801.db2.gz HJWLRKVLMOOLSP-HNNXBMFYSA-N 2 2 287.448 0.343 20 0 CCADLP COCCCn1nccc1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000338436545 355347914 /nfs/dbraw/zinc/34/79/14/355347914.db2.gz NKMGYJCHWMQUTO-HNNXBMFYSA-N 2 2 296.415 0.466 20 0 CCADLP CC[C@@H](COC)[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000341331968 355654754 /nfs/dbraw/zinc/65/47/54/355654754.db2.gz RBXQPWRHZXNZJC-STQMWFEESA-N 2 2 294.399 0.926 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1nccn1C ZINC000341699779 355717257 /nfs/dbraw/zinc/71/72/57/355717257.db2.gz ZSPLTPSINXYWBK-CHWSQXEVSA-N 2 2 265.405 0.707 20 0 CCADLP O=C(C[C@H]1CCC[NH2+]CC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000427275071 235357867 /nfs/dbraw/zinc/35/78/67/235357867.db2.gz OMUMMQJEGVMIJG-GJZGRUSLSA-N 2 2 295.427 0.699 20 0 CCADLP C[C@H](c1nncn1C)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344063092 355783650 /nfs/dbraw/zinc/78/36/50/355783650.db2.gz NZELRIUYCALQBJ-CYBMUJFWSA-N 2 2 282.436 0.691 20 0 CCADLP C[C@H](c1nncn1C)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344063092 355783653 /nfs/dbraw/zinc/78/36/53/355783653.db2.gz NZELRIUYCALQBJ-CYBMUJFWSA-N 2 2 282.436 0.691 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)C[N@@H+]1C1CC1 ZINC000346701847 355872006 /nfs/dbraw/zinc/87/20/06/355872006.db2.gz SUMCEWQGQGOOPY-CHWSQXEVSA-N 3 2 267.417 0.658 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)C[N@H+]1C1CC1 ZINC000346701847 355872012 /nfs/dbraw/zinc/87/20/12/355872012.db2.gz SUMCEWQGQGOOPY-CHWSQXEVSA-N 3 2 267.417 0.658 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC000347399593 355879101 /nfs/dbraw/zinc/87/91/01/355879101.db2.gz LSOANTRVGCUUOX-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP CO[C@@H]1C[C@@H](CO)[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348485661 355939370 /nfs/dbraw/zinc/93/93/70/355939370.db2.gz VRRIYIWVSYWXRK-WDEREUQCSA-N 2 2 285.413 0.786 20 0 CCADLP CO[C@@H]1C[C@@H](CO)[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348485661 355939375 /nfs/dbraw/zinc/93/93/75/355939375.db2.gz VRRIYIWVSYWXRK-WDEREUQCSA-N 2 2 285.413 0.786 20 0 CCADLP C[C@@H](C(=O)N1CCC[C@@H]1C[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000348881391 355985871 /nfs/dbraw/zinc/98/58/71/355985871.db2.gz WWEVBWLCTOSFFI-UONOGXRCSA-N 2 2 282.432 0.175 20 0 CCADLP O=C(NCCC[NH+]1CCOCC1)NCC[N@H+]1CC=CCC1 ZINC000353141967 356163229 /nfs/dbraw/zinc/16/32/29/356163229.db2.gz LPBQVMWEGHPVOD-UHFFFAOYSA-N 2 2 296.415 0.270 20 0 CCADLP O=C(NCCC[NH+]1CCOCC1)NCC[N@@H+]1CC=CCC1 ZINC000353141967 356163231 /nfs/dbraw/zinc/16/32/31/356163231.db2.gz LPBQVMWEGHPVOD-UHFFFAOYSA-N 2 2 296.415 0.270 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000353013631 356137812 /nfs/dbraw/zinc/13/78/12/356137812.db2.gz QSHOHQHBEALTGF-GFCCVEGCSA-N 2 2 252.362 0.977 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000353013631 356137813 /nfs/dbraw/zinc/13/78/13/356137813.db2.gz QSHOHQHBEALTGF-GFCCVEGCSA-N 2 2 252.362 0.977 20 0 CCADLP CC[C@@H](Cn1cncn1)[NH2+]CC[N@H+](C)CCOC ZINC000353413247 356216935 /nfs/dbraw/zinc/21/69/35/356216935.db2.gz OVYGVLHAVZPDOS-LBPRGKRZSA-N 2 2 255.366 0.225 20 0 CCADLP CC[C@@H](Cn1cncn1)[NH2+]CC[N@@H+](C)CCOC ZINC000353413247 356216936 /nfs/dbraw/zinc/21/69/36/356216936.db2.gz OVYGVLHAVZPDOS-LBPRGKRZSA-N 2 2 255.366 0.225 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000360565523 138000461 /nfs/dbraw/zinc/00/04/61/138000461.db2.gz VAZCPEUTRUACNL-INIZCTEOSA-N 3 2 294.443 0.272 20 0 CCADLP CCOCCCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000360874363 138014749 /nfs/dbraw/zinc/01/47/49/138014749.db2.gz SENXBUWWSVNYGQ-UHFFFAOYSA-N 2 2 285.432 0.945 20 0 CCADLP OC[C@H]1CC[C@@H](C[NH2+]Cc2cccc3[nH+]ccn32)O1 ZINC000353706542 356277562 /nfs/dbraw/zinc/27/75/62/356277562.db2.gz PBIXFMMERXEFHH-QWHCGFSZSA-N 2 2 261.325 0.964 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000362084687 138045690 /nfs/dbraw/zinc/04/56/90/138045690.db2.gz DOXAGUOCPKYXSX-ZIAGYGMSSA-N 2 2 298.431 0.300 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000362084687 138045691 /nfs/dbraw/zinc/04/56/91/138045691.db2.gz DOXAGUOCPKYXSX-ZIAGYGMSSA-N 2 2 298.431 0.300 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000354264412 356378010 /nfs/dbraw/zinc/37/80/10/356378010.db2.gz DPXJEZPTXIXLEI-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000354264412 356378014 /nfs/dbraw/zinc/37/80/14/356378014.db2.gz DPXJEZPTXIXLEI-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+]1CCN(CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000362516341 138062576 /nfs/dbraw/zinc/06/25/76/138062576.db2.gz OPZHEUWVVBWXKQ-ZDUSSCGKSA-N 2 2 291.399 0.124 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCO[C@@H](C3CC3)C2)CC1 ZINC000362562919 138064176 /nfs/dbraw/zinc/06/41/76/138064176.db2.gz VGDFGFNKUHZFES-UKRRQHHQSA-N 2 2 295.427 0.650 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCO[C@@H](C3CC3)C2)CC1 ZINC000362562919 138064177 /nfs/dbraw/zinc/06/41/77/138064177.db2.gz VGDFGFNKUHZFES-UKRRQHHQSA-N 2 2 295.427 0.650 20 0 CCADLP Cc1ccc(CCC[NH2+]C[C@@H]2CS(=O)(=O)CCO2)c[nH+]1 ZINC000354576098 356442290 /nfs/dbraw/zinc/44/22/90/356442290.db2.gz QHYBAFXHOOVYLE-CQSZACIVSA-N 2 2 298.408 0.726 20 0 CCADLP C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC000346305696 283168643 /nfs/dbraw/zinc/16/86/43/283168643.db2.gz ZBPMQXVOWFIKRL-CJNGLKHVSA-N 2 2 288.395 1.000 20 0 CCADLP C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC000346305696 283168644 /nfs/dbraw/zinc/16/86/44/283168644.db2.gz ZBPMQXVOWFIKRL-CJNGLKHVSA-N 2 2 288.395 1.000 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000354957171 356537273 /nfs/dbraw/zinc/53/72/73/356537273.db2.gz HEFCMATZBMDIDU-LBPRGKRZSA-N 2 2 295.387 0.028 20 0 CCADLP CCOC(=O)c1c[nH+]ccc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000619490030 366266047 /nfs/dbraw/zinc/26/60/47/366266047.db2.gz KVFXJGOZLJTDFJ-LBPRGKRZSA-N 2 2 291.351 0.779 20 0 CCADLP CCOC(=O)c1c[nH+]ccc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000619490030 366266051 /nfs/dbraw/zinc/26/60/51/366266051.db2.gz KVFXJGOZLJTDFJ-LBPRGKRZSA-N 2 2 291.351 0.779 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157501 363474889 /nfs/dbraw/zinc/47/48/89/363474889.db2.gz XBOUNYJBHMBGJD-VXGBXAGGSA-N 2 2 293.371 0.754 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157501 363474892 /nfs/dbraw/zinc/47/48/92/363474892.db2.gz XBOUNYJBHMBGJD-VXGBXAGGSA-N 2 2 293.371 0.754 20 0 CCADLP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157535 363475290 /nfs/dbraw/zinc/47/52/90/363475290.db2.gz CKHNHJMOIVQKJI-LLVKDONJSA-N 2 2 279.344 0.366 20 0 CCADLP CNC(=O)NC(=O)CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157535 363475294 /nfs/dbraw/zinc/47/52/94/363475294.db2.gz CKHNHJMOIVQKJI-LLVKDONJSA-N 2 2 279.344 0.366 20 0 CCADLP COC[C@H](C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000355070877 356566585 /nfs/dbraw/zinc/56/65/85/356566585.db2.gz NCVKLVWLEDWIIN-LBPRGKRZSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@H](CNC(=O)N1CC[N@H+](C)CC[C@@H]1C)[NH+]1CCOCC1 ZINC000355479928 356626174 /nfs/dbraw/zinc/62/61/74/356626174.db2.gz KQTOTMGZGSOAFU-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H](CNC(=O)N1CC[N@@H+](C)CC[C@@H]1C)[NH+]1CCOCC1 ZINC000355479928 356626176 /nfs/dbraw/zinc/62/61/76/356626176.db2.gz KQTOTMGZGSOAFU-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](CCC(F)(F)F)CC1 ZINC000355883516 356664458 /nfs/dbraw/zinc/66/44/58/356664458.db2.gz VGAUJPNQBKPKFT-UHFFFAOYSA-N 2 2 267.295 0.645 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1 ZINC000532451904 358511327 /nfs/dbraw/zinc/51/13/27/358511327.db2.gz IGPHPVMDIHCTRA-NFAWXSAZSA-N 2 2 264.369 0.966 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1 ZINC000532451904 358511332 /nfs/dbraw/zinc/51/13/32/358511332.db2.gz IGPHPVMDIHCTRA-NFAWXSAZSA-N 2 2 264.369 0.966 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NCC1CC[NH+](C)CC1 ZINC000356274201 356738044 /nfs/dbraw/zinc/73/80/44/356738044.db2.gz CTORAQAJUARAIT-UHFFFAOYSA-N 2 2 265.361 0.561 20 0 CCADLP C[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)[NH+]1CCOCC1 ZINC000356306291 356744358 /nfs/dbraw/zinc/74/43/58/356744358.db2.gz BBRDNMRWGRWUQC-HOCLYGCPSA-N 2 2 295.427 0.651 20 0 CCADLP C[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)[NH+]1CCOCC1 ZINC000356306291 356744360 /nfs/dbraw/zinc/74/43/60/356744360.db2.gz BBRDNMRWGRWUQC-HOCLYGCPSA-N 2 2 295.427 0.651 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000356354382 356751476 /nfs/dbraw/zinc/75/14/76/356751476.db2.gz LCDIIPRDHGCGFU-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000356354382 356751479 /nfs/dbraw/zinc/75/14/79/356751479.db2.gz LCDIIPRDHGCGFU-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H](C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)CS(C)(=O)=O ZINC000357079388 356768834 /nfs/dbraw/zinc/76/88/34/356768834.db2.gz SGXNPIODNTXAKF-GRYCIOLGSA-N 2 2 260.403 0.208 20 0 CCADLP C[C@H](C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)CS(C)(=O)=O ZINC000357079388 356768835 /nfs/dbraw/zinc/76/88/35/356768835.db2.gz SGXNPIODNTXAKF-GRYCIOLGSA-N 2 2 260.403 0.208 20 0 CCADLP CO[C@@H](C)C[N@H+](CC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000357312762 356770676 /nfs/dbraw/zinc/77/06/76/356770676.db2.gz YVLJKXYQVUZUHY-ZDUSSCGKSA-N 2 2 271.405 0.506 20 0 CCADLP CO[C@@H](C)C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000357312762 356770681 /nfs/dbraw/zinc/77/06/81/356770681.db2.gz YVLJKXYQVUZUHY-ZDUSSCGKSA-N 2 2 271.405 0.506 20 0 CCADLP CN(C(=O)c1cc(C[NH+](C)C)on1)[C@@H]1C[NH+]2CCC1CC2 ZINC000359360269 356809107 /nfs/dbraw/zinc/80/91/07/356809107.db2.gz LXDNMQDTKRZFBR-CQSZACIVSA-N 2 2 292.383 0.902 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)no1 ZINC000359508247 356834965 /nfs/dbraw/zinc/83/49/65/356834965.db2.gz CHKWYAKMHILRJT-SMDDNHRTSA-N 2 2 292.383 0.902 20 0 CCADLP O=C1NCCCC[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655687649 412645661 /nfs/dbraw/zinc/64/56/61/412645661.db2.gz USLMZCKZCURJSG-CABCVRRESA-N 2 2 295.427 0.888 20 0 CCADLP O=C(CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1)N1CCOCC1 ZINC000360019407 356936147 /nfs/dbraw/zinc/93/61/47/356936147.db2.gz JBWKXBOEDBYOEX-UHFFFAOYSA-N 2 2 292.383 0.838 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCC[C@H]2C(N)=O)CC[N@@H+]1C ZINC000361221103 357044228 /nfs/dbraw/zinc/04/42/28/357044228.db2.gz PWHACXQJIZPFFV-RDBSUJKOSA-N 3 2 282.432 0.399 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCC[C@H]2C(N)=O)CC[N@H+]1C ZINC000361221103 357044231 /nfs/dbraw/zinc/04/42/31/357044231.db2.gz PWHACXQJIZPFFV-RDBSUJKOSA-N 3 2 282.432 0.399 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CC[NH+]1C ZINC000361221103 357044235 /nfs/dbraw/zinc/04/42/35/357044235.db2.gz PWHACXQJIZPFFV-RDBSUJKOSA-N 3 2 282.432 0.399 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CC[NH+]1C ZINC000361221103 357044243 /nfs/dbraw/zinc/04/42/43/357044243.db2.gz PWHACXQJIZPFFV-RDBSUJKOSA-N 3 2 282.432 0.399 20 0 CCADLP CC[C@]1(C(=O)N2CC[NH+](CCOC)CC2)CC[NH2+]C1 ZINC000363513887 357061427 /nfs/dbraw/zinc/06/14/27/357061427.db2.gz JUGNIBBDVDBTEF-AWEZNQCLSA-N 2 2 269.389 0.167 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000655709685 412649122 /nfs/dbraw/zinc/64/91/22/412649122.db2.gz FZZUCRXQHKBDQD-MJBXVCDLSA-N 2 2 298.431 0.441 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000655709685 412649126 /nfs/dbraw/zinc/64/91/26/412649126.db2.gz FZZUCRXQHKBDQD-MJBXVCDLSA-N 2 2 298.431 0.441 20 0 CCADLP CC[C@@H]1C[NH+](C)CCN1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000655709685 412649131 /nfs/dbraw/zinc/64/91/31/412649131.db2.gz FZZUCRXQHKBDQD-MJBXVCDLSA-N 2 2 298.431 0.441 20 0 CCADLP CC[C@@H]1C[NH+](C)CCN1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000655709685 412649135 /nfs/dbraw/zinc/64/91/35/412649135.db2.gz FZZUCRXQHKBDQD-MJBXVCDLSA-N 2 2 298.431 0.441 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000364203301 357096268 /nfs/dbraw/zinc/09/62/68/357096268.db2.gz WHKYZWCQTVIXQQ-WFASDCNBSA-N 2 2 281.400 0.213 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000364203301 357096271 /nfs/dbraw/zinc/09/62/71/357096271.db2.gz WHKYZWCQTVIXQQ-WFASDCNBSA-N 2 2 281.400 0.213 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2nnnn2C)C1 ZINC000365633346 357163613 /nfs/dbraw/zinc/16/36/13/357163613.db2.gz VLBPFGVHBBIHNI-JTQLQIEISA-N 2 2 261.333 0.323 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2nnnn2C)C1 ZINC000365633346 357163617 /nfs/dbraw/zinc/16/36/17/357163617.db2.gz VLBPFGVHBBIHNI-JTQLQIEISA-N 2 2 261.333 0.323 20 0 CCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366495561 357218933 /nfs/dbraw/zinc/21/89/33/357218933.db2.gz HELUGGRYRXEIMQ-AWEZNQCLSA-N 2 2 253.390 0.786 20 0 CCADLP CC(C)CNC(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366495561 357218939 /nfs/dbraw/zinc/21/89/39/357218939.db2.gz HELUGGRYRXEIMQ-AWEZNQCLSA-N 2 2 253.390 0.786 20 0 CCADLP CC(C)CNC(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366495561 357218943 /nfs/dbraw/zinc/21/89/43/357218943.db2.gz HELUGGRYRXEIMQ-AWEZNQCLSA-N 2 2 253.390 0.786 20 0 CCADLP CC(C)CNC(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366495561 357218948 /nfs/dbraw/zinc/21/89/48/357218948.db2.gz HELUGGRYRXEIMQ-AWEZNQCLSA-N 2 2 253.390 0.786 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000367845846 357284780 /nfs/dbraw/zinc/28/47/80/357284780.db2.gz JKQHDFVRVWDOJZ-ZFWWWQNUSA-N 2 2 283.416 0.555 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000367845846 357284782 /nfs/dbraw/zinc/28/47/82/357284782.db2.gz JKQHDFVRVWDOJZ-ZFWWWQNUSA-N 2 2 283.416 0.555 20 0 CCADLP COCCCNC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000367845846 357284783 /nfs/dbraw/zinc/28/47/83/357284783.db2.gz JKQHDFVRVWDOJZ-ZFWWWQNUSA-N 2 2 283.416 0.555 20 0 CCADLP COCCCNC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000367845846 357284785 /nfs/dbraw/zinc/28/47/85/357284785.db2.gz JKQHDFVRVWDOJZ-ZFWWWQNUSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N(C)C ZINC000655729697 412652638 /nfs/dbraw/zinc/65/26/38/412652638.db2.gz CNALZECRIRUOEJ-YPMHNXCESA-N 2 2 269.389 0.306 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000368635528 357336478 /nfs/dbraw/zinc/33/64/78/357336478.db2.gz RXUVRYXPIUYRNY-GFCCVEGCSA-N 2 2 277.372 0.800 20 0 CCADLP C[C@H](C[C@H](C)O)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655750959 412654274 /nfs/dbraw/zinc/65/42/74/412654274.db2.gz IAVYYKCAYKMWER-MBNYWOFBSA-N 2 2 256.390 0.989 20 0 CCADLP CO[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000376096992 357432194 /nfs/dbraw/zinc/43/21/94/357432194.db2.gz PHLIXGRKTFMPTQ-DZGCQCFKSA-N 2 2 295.427 0.696 20 0 CCADLP CO[C@@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000376096992 357432199 /nfs/dbraw/zinc/43/21/99/357432199.db2.gz PHLIXGRKTFMPTQ-DZGCQCFKSA-N 2 2 295.427 0.696 20 0 CCADLP CO[C@@H](C)CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372742370 357379634 /nfs/dbraw/zinc/37/96/34/357379634.db2.gz QKUSXWJAFVZTFT-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP CO[C@@H](C)CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372742370 357379635 /nfs/dbraw/zinc/37/96/35/357379635.db2.gz QKUSXWJAFVZTFT-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000377196217 357551312 /nfs/dbraw/zinc/55/13/12/357551312.db2.gz HWVUGRXIMBZFPD-KBPBESRZSA-N 3 2 294.443 0.413 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000377196217 357551313 /nfs/dbraw/zinc/55/13/13/357551313.db2.gz HWVUGRXIMBZFPD-KBPBESRZSA-N 3 2 294.443 0.413 20 0 CCADLP O=C1NCCN1CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000377277420 357560372 /nfs/dbraw/zinc/56/03/72/357560372.db2.gz SIHGLOWJXMPWGK-LBPRGKRZSA-N 2 2 263.345 0.545 20 0 CCADLP O=C1NCCN1CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000377277420 357560375 /nfs/dbraw/zinc/56/03/75/357560375.db2.gz SIHGLOWJXMPWGK-LBPRGKRZSA-N 2 2 263.345 0.545 20 0 CCADLP CC1(C)[C@H](O)C[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655756749 412656287 /nfs/dbraw/zinc/65/62/87/412656287.db2.gz XGKYLJHIXNBDMV-HZSPNIEDSA-N 2 2 268.401 0.989 20 0 CCADLP COCC(COC)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655771720 412658515 /nfs/dbraw/zinc/65/85/15/412658515.db2.gz CSUWCCOJJHPFEB-HNNXBMFYSA-N 2 2 286.416 0.881 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)CCCn2cc[nH+]c2C)C1 ZINC000378218372 357662298 /nfs/dbraw/zinc/66/22/98/357662298.db2.gz AEHPIEKCQYAWPF-AWEZNQCLSA-N 2 2 294.399 0.761 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N(C)CCCn2cc[nH+]c2C)C1 ZINC000378218372 357662302 /nfs/dbraw/zinc/66/23/02/357662302.db2.gz AEHPIEKCQYAWPF-AWEZNQCLSA-N 2 2 294.399 0.761 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000385929010 357728445 /nfs/dbraw/zinc/72/84/45/357728445.db2.gz KNDBNZWQJHQOAC-UWVGGRQHSA-N 2 2 270.295 0.298 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000385929010 357728446 /nfs/dbraw/zinc/72/84/46/357728446.db2.gz KNDBNZWQJHQOAC-UWVGGRQHSA-N 2 2 270.295 0.298 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000385929010 357728447 /nfs/dbraw/zinc/72/84/47/357728447.db2.gz KNDBNZWQJHQOAC-UWVGGRQHSA-N 2 2 270.295 0.298 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000385929010 357728448 /nfs/dbraw/zinc/72/84/48/357728448.db2.gz KNDBNZWQJHQOAC-UWVGGRQHSA-N 2 2 270.295 0.298 20 0 CCADLP Nc1nc(-n2cccn2)cc(N2CCn3c[nH+]cc3C2)[nH+]1 ZINC000377980913 283277051 /nfs/dbraw/zinc/27/70/51/283277051.db2.gz BNKBRYRDTRFXOB-UHFFFAOYSA-N 2 2 282.311 0.292 20 0 CCADLP CN(C)S(=O)(=O)CC[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000380942097 357706635 /nfs/dbraw/zinc/70/66/35/357706635.db2.gz NCQHPMDHXRAEGU-UHFFFAOYSA-N 2 2 299.440 0.729 20 0 CCADLP CN(C)S(=O)(=O)CC[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000380942097 357706638 /nfs/dbraw/zinc/70/66/38/357706638.db2.gz NCQHPMDHXRAEGU-UHFFFAOYSA-N 2 2 299.440 0.729 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCNC(=O)CC2)C[N@@H+]1C1CC1 ZINC000396689237 357764435 /nfs/dbraw/zinc/76/44/35/357764435.db2.gz SPLSJQHNVFOLPK-GRYCIOLGSA-N 2 2 251.374 0.870 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCNC(=O)CC2)C[N@H+]1C1CC1 ZINC000396689237 357764438 /nfs/dbraw/zinc/76/44/38/357764438.db2.gz SPLSJQHNVFOLPK-GRYCIOLGSA-N 2 2 251.374 0.870 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CS1 ZINC000397757276 357772515 /nfs/dbraw/zinc/77/25/15/357772515.db2.gz GOJPVHKRDLIZBL-GHMZBOCLSA-N 2 2 257.403 0.244 20 0 CCADLP CCOC(=O)[C@@H](CC)[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405896386 357828354 /nfs/dbraw/zinc/82/83/54/357828354.db2.gz YNVYMEYBZBHYNZ-IJLUTSLNSA-N 2 2 258.362 0.624 20 0 CCADLP CCOC(=O)[C@@H](CC)[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405896386 357828357 /nfs/dbraw/zinc/82/83/57/357828357.db2.gz YNVYMEYBZBHYNZ-IJLUTSLNSA-N 2 2 258.362 0.624 20 0 CCADLP Cn1ccnc1C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000408098228 357918248 /nfs/dbraw/zinc/91/82/48/357918248.db2.gz CGVLKLQZENRVIS-UHFFFAOYSA-N 2 2 294.399 0.079 20 0 CCADLP O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000408126747 357928738 /nfs/dbraw/zinc/92/87/38/357928738.db2.gz BHIVLNNTWQNYCA-OLZOCXBDSA-N 2 2 289.383 0.463 20 0 CCADLP O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCC[C@@H]1c1[nH]cc[nH+]1 ZINC000408126747 357928742 /nfs/dbraw/zinc/92/87/42/357928742.db2.gz BHIVLNNTWQNYCA-OLZOCXBDSA-N 2 2 289.383 0.463 20 0 CCADLP COCCC[N@H+](C)CC[NH2+][C@H](C)Cc1cnccn1 ZINC000453126694 236273755 /nfs/dbraw/zinc/27/37/55/236273755.db2.gz YHIKYULQOANXLX-CYBMUJFWSA-N 2 2 266.389 0.966 20 0 CCADLP COCCC[N@@H+](C)CC[NH2+][C@H](C)Cc1cnccn1 ZINC000453126694 236273759 /nfs/dbraw/zinc/27/37/59/236273759.db2.gz YHIKYULQOANXLX-CYBMUJFWSA-N 2 2 266.389 0.966 20 0 CCADLP COC[C@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)C1CC1 ZINC000453265385 236275004 /nfs/dbraw/zinc/27/50/04/236275004.db2.gz NQNSBOHYRDEDSJ-KGLIPLIRSA-N 2 2 256.390 0.848 20 0 CCADLP COC[C@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)C1CC1 ZINC000453265385 236275006 /nfs/dbraw/zinc/27/50/06/236275006.db2.gz NQNSBOHYRDEDSJ-KGLIPLIRSA-N 2 2 256.390 0.848 20 0 CCADLP C[C@@H](CNC(=O)[C@@H](C[NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000178701245 295962704 /nfs/dbraw/zinc/96/27/04/295962704.db2.gz QEXTWJQFLKAYCE-ZFWWWQNUSA-N 2 2 291.395 0.566 20 0 CCADLP C[NH2+]CC(=O)NC[C@@H](c1cccs1)[NH+]1CCN(C)CC1 ZINC000561937281 291135586 /nfs/dbraw/zinc/13/55/86/291135586.db2.gz XRMXOJDQYWYTAY-LBPRGKRZSA-N 2 2 296.440 0.372 20 0 CCADLP C[NH2+]CCCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000417430370 358132375 /nfs/dbraw/zinc/13/23/75/358132375.db2.gz XCMQDDRRGYCHDW-UHFFFAOYSA-N 2 2 272.393 0.006 20 0 CCADLP C[NH2+]CCCNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000417430370 358132378 /nfs/dbraw/zinc/13/23/78/358132378.db2.gz XCMQDDRRGYCHDW-UHFFFAOYSA-N 2 2 272.393 0.006 20 0 CCADLP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420357001 358180198 /nfs/dbraw/zinc/18/01/98/358180198.db2.gz RMYLNDLNVFLZKM-XQHKEYJVSA-N 2 2 271.405 0.321 20 0 CCADLP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420357001 358180204 /nfs/dbraw/zinc/18/02/04/358180204.db2.gz RMYLNDLNVFLZKM-XQHKEYJVSA-N 2 2 271.405 0.321 20 0 CCADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420350001 358180770 /nfs/dbraw/zinc/18/07/70/358180770.db2.gz FMQKYZGLMQINOL-HTOAHKCRSA-N 2 2 285.432 0.567 20 0 CCADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420350001 358180773 /nfs/dbraw/zinc/18/07/73/358180773.db2.gz FMQKYZGLMQINOL-HTOAHKCRSA-N 2 2 285.432 0.567 20 0 CCADLP C[NH2+]CCC[N@H+](C)CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000420382351 358181629 /nfs/dbraw/zinc/18/16/29/358181629.db2.gz AHMVEEJOHWDRLE-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH2+]CCC[N@@H+](C)CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000420382351 358181632 /nfs/dbraw/zinc/18/16/32/358181632.db2.gz AHMVEEJOHWDRLE-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH2+]CCC[N@H+](C)CC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C ZINC000420389470 358181784 /nfs/dbraw/zinc/18/17/84/358181784.db2.gz OEFCMAAPJJKAIS-STQMWFEESA-N 2 2 298.431 0.932 20 0 CCADLP C[NH2+]CCC[N@@H+](C)CC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C ZINC000420389470 358181787 /nfs/dbraw/zinc/18/17/87/358181787.db2.gz OEFCMAAPJJKAIS-STQMWFEESA-N 2 2 298.431 0.932 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000423110282 358195919 /nfs/dbraw/zinc/19/59/19/358195919.db2.gz VLJSQMMLTJDMHC-ZIAGYGMSSA-N 3 2 268.449 0.600 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000423110282 358195921 /nfs/dbraw/zinc/19/59/21/358195921.db2.gz VLJSQMMLTJDMHC-ZIAGYGMSSA-N 3 2 268.449 0.600 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC000487476825 358286524 /nfs/dbraw/zinc/28/65/24/358286524.db2.gz QFCFCJZXKQFNSD-CQSZACIVSA-N 2 2 297.443 0.897 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000515490843 358338552 /nfs/dbraw/zinc/33/85/52/358338552.db2.gz UQHQERHYCNKIJE-LSDHHAIUSA-N 3 2 269.433 0.621 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000515490843 358338557 /nfs/dbraw/zinc/33/85/57/358338557.db2.gz UQHQERHYCNKIJE-LSDHHAIUSA-N 3 2 269.433 0.621 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000515490843 358338561 /nfs/dbraw/zinc/33/85/61/358338561.db2.gz UQHQERHYCNKIJE-LSDHHAIUSA-N 3 2 269.433 0.621 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000515490843 358338565 /nfs/dbraw/zinc/33/85/65/358338565.db2.gz UQHQERHYCNKIJE-LSDHHAIUSA-N 3 2 269.433 0.621 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)NCC2CC2)C1 ZINC000530463099 358400855 /nfs/dbraw/zinc/40/08/55/358400855.db2.gz WYSJHQUUCNNSAK-GFCCVEGCSA-N 2 2 262.357 0.736 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC000530463099 358400857 /nfs/dbraw/zinc/40/08/57/358400857.db2.gz WYSJHQUUCNNSAK-GFCCVEGCSA-N 2 2 262.357 0.736 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1CC[NH+]1CCO[C@@H](C)C1 ZINC000567724940 358577250 /nfs/dbraw/zinc/57/72/50/358577250.db2.gz GLUNECMZTKWXPG-KBPBESRZSA-N 2 2 255.406 0.733 20 0 CCADLP CC[C@H]1C[NH+](C)CCN1CC[N@@H+]1CCO[C@@H](C)C1 ZINC000567724940 358577251 /nfs/dbraw/zinc/57/72/51/358577251.db2.gz GLUNECMZTKWXPG-KBPBESRZSA-N 2 2 255.406 0.733 20 0 CCADLP CC[C@H]1C[NH+](C)CCN1CC[N@H+]1CCO[C@@H](C)C1 ZINC000567724940 358577252 /nfs/dbraw/zinc/57/72/52/358577252.db2.gz GLUNECMZTKWXPG-KBPBESRZSA-N 2 2 255.406 0.733 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)CC1 ZINC000567896110 358609083 /nfs/dbraw/zinc/60/90/83/358609083.db2.gz NTLPOYICQSEHHD-KFWWJZLASA-N 2 2 295.427 0.650 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H]3OCC[C@@H]3C2)CC1 ZINC000567896110 358609085 /nfs/dbraw/zinc/60/90/85/358609085.db2.gz NTLPOYICQSEHHD-KFWWJZLASA-N 2 2 295.427 0.650 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)CCC[NH2+]C)CC1 ZINC000567987013 358622067 /nfs/dbraw/zinc/62/20/67/358622067.db2.gz MPLNGNWXXKPKRY-UHFFFAOYSA-N 3 2 270.421 0.128 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)CCC[NH2+]C)CC1 ZINC000567987013 358622070 /nfs/dbraw/zinc/62/20/70/358622070.db2.gz MPLNGNWXXKPKRY-UHFFFAOYSA-N 3 2 270.421 0.128 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000568164290 358638684 /nfs/dbraw/zinc/63/86/84/358638684.db2.gz OWPMPLPZAJCHBI-UHFFFAOYSA-N 2 2 262.357 0.659 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000568164290 358638687 /nfs/dbraw/zinc/63/86/87/358638687.db2.gz OWPMPLPZAJCHBI-UHFFFAOYSA-N 2 2 262.357 0.659 20 0 CCADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000568175616 358640788 /nfs/dbraw/zinc/64/07/88/358640788.db2.gz BYKSSKKHIJUCNN-UKRRQHHQSA-N 2 2 284.400 0.587 20 0 CCADLP Cc1cc(C[NH2+]C2(CCO)CC[NH+](C)CC2)n(C)n1 ZINC000568239084 358655097 /nfs/dbraw/zinc/65/50/97/358655097.db2.gz HWRWOBXKGHPLKY-UHFFFAOYSA-N 2 2 266.389 0.665 20 0 CCADLP C[C@@H]1CCCN1C(=O)CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000568659545 358694917 /nfs/dbraw/zinc/69/49/17/358694917.db2.gz CTBUUTIWCHKLPE-CYBMUJFWSA-N 2 2 291.399 0.933 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC2(C)CCC2)[C@H](C[NH3+])C1 ZINC000568966723 358719391 /nfs/dbraw/zinc/71/93/91/358719391.db2.gz SBECVAOOHYXHSX-LLVKDONJSA-N 2 2 254.378 0.461 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC2(C)CCC2)[C@H](C[NH3+])C1 ZINC000568966723 358719397 /nfs/dbraw/zinc/71/93/97/358719397.db2.gz SBECVAOOHYXHSX-LLVKDONJSA-N 2 2 254.378 0.461 20 0 CCADLP C[N@@H+]1CCN(C(=O)COC2CCCC2)[C@@H](C[NH3+])C1 ZINC000568982759 358721620 /nfs/dbraw/zinc/72/16/20/358721620.db2.gz QQLXHQIBKMGAOH-NSHDSACASA-N 2 2 255.362 0.047 20 0 CCADLP C[N@H+]1CCN(C(=O)COC2CCCC2)[C@@H](C[NH3+])C1 ZINC000568982759 358721622 /nfs/dbraw/zinc/72/16/22/358721622.db2.gz QQLXHQIBKMGAOH-NSHDSACASA-N 2 2 255.362 0.047 20 0 CCADLP CC(C)[N@H+](C)CCCNC(=O)Cc1c[nH+]cn1C ZINC000569207305 358742384 /nfs/dbraw/zinc/74/23/84/358742384.db2.gz CNCZLCNTDJEGCP-UHFFFAOYSA-N 2 2 252.362 0.809 20 0 CCADLP CC(C)[N@@H+](C)CCCNC(=O)Cc1c[nH+]cn1C ZINC000569207305 358742389 /nfs/dbraw/zinc/74/23/89/358742389.db2.gz CNCZLCNTDJEGCP-UHFFFAOYSA-N 2 2 252.362 0.809 20 0 CCADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)CC[C@@H](C)[NH3+])C2)CC1 ZINC000569217936 358742881 /nfs/dbraw/zinc/74/28/81/358742881.db2.gz QUFIPQVSSUPKGO-ZIAGYGMSSA-N 2 2 282.432 0.352 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CCO1 ZINC000569930804 358806767 /nfs/dbraw/zinc/80/67/67/358806767.db2.gz MKICPPOXIAURCK-BARDWOONSA-N 2 2 295.427 0.744 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CCO1 ZINC000569930804 358806768 /nfs/dbraw/zinc/80/67/68/358806768.db2.gz MKICPPOXIAURCK-BARDWOONSA-N 2 2 295.427 0.744 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)O1 ZINC000570510029 358864238 /nfs/dbraw/zinc/86/42/38/358864238.db2.gz UAXSBWQULHWYRQ-QMIVOQANSA-N 2 2 286.416 0.614 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)O1 ZINC000570510029 358864240 /nfs/dbraw/zinc/86/42/40/358864240.db2.gz UAXSBWQULHWYRQ-QMIVOQANSA-N 2 2 286.416 0.614 20 0 CCADLP CCOCC[N@@H+]1CCN(C(=O)[C@H](C)[NH+]2CC(C)C2)C[C@@H]1C ZINC000570582272 358872238 /nfs/dbraw/zinc/87/22/38/358872238.db2.gz RGSWAHOSCZZDAI-GJZGRUSLSA-N 2 2 297.443 0.896 20 0 CCADLP CCOCC[N@H+]1CCN(C(=O)[C@H](C)[NH+]2CC(C)C2)C[C@@H]1C ZINC000570582272 358872245 /nfs/dbraw/zinc/87/22/45/358872245.db2.gz RGSWAHOSCZZDAI-GJZGRUSLSA-N 2 2 297.443 0.896 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc2c[nH+]cn2c1)C1CC1 ZINC000570626368 358875490 /nfs/dbraw/zinc/87/54/90/358875490.db2.gz KBKKRRSNPWNBCC-OAHLLOKOSA-N 3 2 274.368 0.879 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc2c[nH+]cn2c1)C1CC1 ZINC000570626368 358875495 /nfs/dbraw/zinc/87/54/95/358875495.db2.gz KBKKRRSNPWNBCC-OAHLLOKOSA-N 3 2 274.368 0.879 20 0 CCADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)[C@@H]1OC ZINC000570626940 358875904 /nfs/dbraw/zinc/87/59/04/358875904.db2.gz OIVNVLPNLLOARB-RQJABVFESA-N 2 2 272.389 0.224 20 0 CCADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)[C@@H]1OC ZINC000570626940 358875905 /nfs/dbraw/zinc/87/59/05/358875905.db2.gz OIVNVLPNLLOARB-RQJABVFESA-N 2 2 272.389 0.224 20 0 CCADLP C[C@H](O)CNc1cc(N2C[C@@H](C)[N@H+](C)C[C@H]2C)nc[nH+]1 ZINC000571051664 358907833 /nfs/dbraw/zinc/90/78/33/358907833.db2.gz UOSMBZATYQGDCP-UTUOFQBUSA-N 2 2 279.388 0.798 20 0 CCADLP C[C@H](O)CNc1cc(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)nc[nH+]1 ZINC000571051664 358907838 /nfs/dbraw/zinc/90/78/38/358907838.db2.gz UOSMBZATYQGDCP-UTUOFQBUSA-N 2 2 279.388 0.798 20 0 CCADLP CCn1ccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)n1 ZINC000571073209 358909990 /nfs/dbraw/zinc/90/99/90/358909990.db2.gz GLUCSFASKYSHIO-KGLIPLIRSA-N 2 2 264.373 0.760 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+]C[C@@H]2CCC[N@H+]2C)no1 ZINC000573479356 358970529 /nfs/dbraw/zinc/97/05/29/358970529.db2.gz VULSFZJGDIUNBU-NSHDSACASA-N 2 2 266.345 0.417 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+]C[C@@H]2CCC[N@@H+]2C)no1 ZINC000573479356 358970535 /nfs/dbraw/zinc/97/05/35/358970535.db2.gz VULSFZJGDIUNBU-NSHDSACASA-N 2 2 266.345 0.417 20 0 CCADLP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H](O)C[NH+](C)C)cc1 ZINC000573090912 358935987 /nfs/dbraw/zinc/93/59/87/358935987.db2.gz OYWNQHRAMFOFKS-KBPBESRZSA-N 2 2 282.384 0.247 20 0 CCADLP CC[C@]1(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CCC[NH2+]1 ZINC000573092591 358937150 /nfs/dbraw/zinc/93/71/50/358937150.db2.gz CGMHSRWXCITRJW-GXTWGEPZSA-N 2 2 269.389 0.356 20 0 CCADLP CC[C@]1(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CCC[NH2+]1 ZINC000573092591 358937154 /nfs/dbraw/zinc/93/71/54/358937154.db2.gz CGMHSRWXCITRJW-GXTWGEPZSA-N 2 2 269.389 0.356 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000579971079 359072209 /nfs/dbraw/zinc/07/22/09/359072209.db2.gz SWKRHUZDOBMIFM-GFCCVEGCSA-N 2 2 253.390 0.881 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000579971079 359072210 /nfs/dbraw/zinc/07/22/10/359072210.db2.gz SWKRHUZDOBMIFM-GFCCVEGCSA-N 2 2 253.390 0.881 20 0 CCADLP O=C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NCC1CC1 ZINC000580834721 359098812 /nfs/dbraw/zinc/09/88/12/359098812.db2.gz UYGYMWXCXCAPJR-AWEZNQCLSA-N 2 2 251.374 0.588 20 0 CCADLP O=C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NCC1CC1 ZINC000580834721 359098817 /nfs/dbraw/zinc/09/88/17/359098817.db2.gz UYGYMWXCXCAPJR-AWEZNQCLSA-N 2 2 251.374 0.588 20 0 CCADLP [NH3+]Cc1nc(C(=O)NCC[N@@H+]2CCCOCC2)cs1 ZINC000579834900 359052168 /nfs/dbraw/zinc/05/21/68/359052168.db2.gz ZYKQAWLDJZVGGP-UHFFFAOYSA-N 2 2 284.385 0.054 20 0 CCADLP [NH3+]Cc1nc(C(=O)NCC[N@H+]2CCCOCC2)cs1 ZINC000579834900 359052172 /nfs/dbraw/zinc/05/21/72/359052172.db2.gz ZYKQAWLDJZVGGP-UHFFFAOYSA-N 2 2 284.385 0.054 20 0 CCADLP CC[N@@H+]1CC[C@H]2OCCN(C(=O)Cc3c[nH+]cn3C)[C@H]2C1 ZINC000582021790 359127096 /nfs/dbraw/zinc/12/70/96/359127096.db2.gz GYTXHBXIQGGRQZ-UONOGXRCSA-N 2 2 292.383 0.284 20 0 CCADLP CC[N@H+]1CC[C@H]2OCCN(C(=O)Cc3c[nH+]cn3C)[C@H]2C1 ZINC000582021790 359127101 /nfs/dbraw/zinc/12/71/01/359127101.db2.gz GYTXHBXIQGGRQZ-UONOGXRCSA-N 2 2 292.383 0.284 20 0 CCADLP CC[C@]1(CO)CCC[N@@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000582309172 359134751 /nfs/dbraw/zinc/13/47/51/359134751.db2.gz QMAJBGARVNQIDI-UONOGXRCSA-N 2 2 274.405 0.162 20 0 CCADLP CC[C@]1(CO)CCC[N@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000582309172 359134755 /nfs/dbraw/zinc/13/47/55/359134755.db2.gz QMAJBGARVNQIDI-UONOGXRCSA-N 2 2 274.405 0.162 20 0 CCADLP CC[C@]1(CO)CCC[NH+]1C[C@@H](O)C[N@H+](C)CCOC ZINC000582309172 359134758 /nfs/dbraw/zinc/13/47/58/359134758.db2.gz QMAJBGARVNQIDI-UONOGXRCSA-N 2 2 274.405 0.162 20 0 CCADLP CC[C@]1(CO)CCC[NH+]1C[C@@H](O)C[N@@H+](C)CCOC ZINC000582309172 359134764 /nfs/dbraw/zinc/13/47/64/359134764.db2.gz QMAJBGARVNQIDI-UONOGXRCSA-N 2 2 274.405 0.162 20 0 CCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)c1cc[nH+]cc1C(N)=O ZINC000583477601 359155298 /nfs/dbraw/zinc/15/52/98/359155298.db2.gz MURIPCDDNUMZHE-UHFFFAOYSA-N 2 2 292.383 0.728 20 0 CCADLP CN(CC[N@H+]1CCOC(C)(C)C1)c1cc[nH+]cc1C(N)=O ZINC000583477601 359155300 /nfs/dbraw/zinc/15/53/00/359155300.db2.gz MURIPCDDNUMZHE-UHFFFAOYSA-N 2 2 292.383 0.728 20 0 CCADLP CCOC(=O)C(C)(C)CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000584589408 359175942 /nfs/dbraw/zinc/17/59/42/359175942.db2.gz QFVDYSDUSCKNAR-LLVKDONJSA-N 2 2 285.388 0.067 20 0 CCADLP CCOC(=O)C(C)(C)CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000584589408 359175947 /nfs/dbraw/zinc/17/59/47/359175947.db2.gz QFVDYSDUSCKNAR-LLVKDONJSA-N 2 2 285.388 0.067 20 0 CCADLP C[C@H](CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C1CC[NH2+]CC1 ZINC000584770344 359201923 /nfs/dbraw/zinc/20/19/23/359201923.db2.gz UKDORLWVAZLNPT-TZMCWYRMSA-N 3 2 282.432 0.114 20 0 CCADLP C[C@H](CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C1CC[NH2+]CC1 ZINC000584770344 359201929 /nfs/dbraw/zinc/20/19/29/359201929.db2.gz UKDORLWVAZLNPT-TZMCWYRMSA-N 3 2 282.432 0.114 20 0 CCADLP C[C@@H](CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C1CC[NH2+]CC1 ZINC000584770342 359202541 /nfs/dbraw/zinc/20/25/41/359202541.db2.gz UKDORLWVAZLNPT-JSGCOSHPSA-N 3 2 282.432 0.114 20 0 CCADLP C[C@@H](CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C1CC[NH2+]CC1 ZINC000584770342 359202543 /nfs/dbraw/zinc/20/25/43/359202543.db2.gz UKDORLWVAZLNPT-JSGCOSHPSA-N 3 2 282.432 0.114 20 0 CCADLP O=C(C[C@H]1COCC[NH2+]1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000584836476 359213946 /nfs/dbraw/zinc/21/39/46/359213946.db2.gz MEYJYDSQQIYLGH-NWDGAFQWSA-N 2 2 278.356 0.842 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000586755305 359283765 /nfs/dbraw/zinc/28/37/65/359283765.db2.gz CSMZXUIBAJZVSJ-LLVKDONJSA-N 2 2 298.350 0.629 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000586755305 359283767 /nfs/dbraw/zinc/28/37/67/359283767.db2.gz CSMZXUIBAJZVSJ-LLVKDONJSA-N 2 2 298.350 0.629 20 0 CCADLP COC(=O)c1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n(C)c1C ZINC000589730483 359399390 /nfs/dbraw/zinc/39/93/90/359399390.db2.gz BAWPDEMNSLXJLL-TXEJJXNPSA-N 2 2 277.368 0.771 20 0 CCADLP COC(=O)c1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n(C)c1C ZINC000589730483 359399392 /nfs/dbraw/zinc/39/93/92/359399392.db2.gz BAWPDEMNSLXJLL-TXEJJXNPSA-N 2 2 277.368 0.771 20 0 CCADLP C[NH+]1CCN(CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC000591116070 359560238 /nfs/dbraw/zinc/56/02/38/359560238.db2.gz DHZGPHFLRVLBRH-UHFFFAOYSA-N 2 2 279.388 0.027 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CC[C@@H]2CCOC2)C[C@@H](C)O1 ZINC000563013271 291181567 /nfs/dbraw/zinc/18/15/67/291181567.db2.gz HKHRTWCJWJTUPS-KBUPBQIOSA-N 2 2 286.416 0.473 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N[C@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000591571228 359600176 /nfs/dbraw/zinc/60/01/76/359600176.db2.gz FQNVRHDUQUNPDZ-MJBXVCDLSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N[C@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000591571228 359600178 /nfs/dbraw/zinc/60/01/78/359600178.db2.gz FQNVRHDUQUNPDZ-MJBXVCDLSA-N 2 2 298.431 0.489 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)COC1CC[NH2+]CC1 ZINC000563060822 291186497 /nfs/dbraw/zinc/18/64/97/291186497.db2.gz GDCJNVUTTZREGD-UHFFFAOYSA-N 2 2 292.383 0.532 20 0 CCADLP CCOC(=O)CC[C@@H](O)C[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000591735110 359649867 /nfs/dbraw/zinc/64/98/67/359649867.db2.gz SEMZSSLWGIMZIK-UONOGXRCSA-N 2 2 284.400 0.765 20 0 CCADLP CCOC(=O)CC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000591735110 359649869 /nfs/dbraw/zinc/64/98/69/359649869.db2.gz SEMZSSLWGIMZIK-UONOGXRCSA-N 2 2 284.400 0.765 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000563093494 291191435 /nfs/dbraw/zinc/19/14/35/291191435.db2.gz SHCBSEFJAYBRTH-HBNTYKKESA-N 2 2 253.350 0.697 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591915325 359692557 /nfs/dbraw/zinc/69/25/57/359692557.db2.gz BDCVDBUPUZYHAC-VXGBXAGGSA-N 2 2 250.346 0.997 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591915325 359692563 /nfs/dbraw/zinc/69/25/63/359692563.db2.gz BDCVDBUPUZYHAC-VXGBXAGGSA-N 2 2 250.346 0.997 20 0 CCADLP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@H]1CCC[NH2+]1 ZINC000422816864 299296755 /nfs/dbraw/zinc/29/67/55/299296755.db2.gz GHBNJLKQCDGYKO-DZGCQCFKSA-N 3 2 268.449 0.743 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+][C@H]2CCCC[C@@H]2O)C[C@H](C)O1 ZINC000563144561 291199133 /nfs/dbraw/zinc/19/91/33/291199133.db2.gz WVBWIEMTGFIFOZ-AICCOOGYSA-N 2 2 286.416 0.350 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+][C@H]2CCCC[C@@H]2O)C[C@H](C)O1 ZINC000563144561 291199136 /nfs/dbraw/zinc/19/91/36/291199136.db2.gz WVBWIEMTGFIFOZ-AICCOOGYSA-N 2 2 286.416 0.350 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000423150267 296001124 /nfs/dbraw/zinc/00/11/24/296001124.db2.gz IMWQAXJMYKZSKS-LJISPDSOSA-N 2 2 283.416 0.206 20 0 CCADLP CCC[N@H+](CCc1c[nH+]cn1C)[C@H]1CC(=O)N(C)C1=O ZINC000297668085 200258147 /nfs/dbraw/zinc/25/81/47/200258147.db2.gz OKMOYLIJWGFUGM-LBPRGKRZSA-N 2 2 278.356 0.432 20 0 CCADLP CCC[N@@H+](CCc1c[nH+]cn1C)[C@H]1CC(=O)N(C)C1=O ZINC000297668085 200258149 /nfs/dbraw/zinc/25/81/49/200258149.db2.gz OKMOYLIJWGFUGM-LBPRGKRZSA-N 2 2 278.356 0.432 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC000592485790 359853040 /nfs/dbraw/zinc/85/30/40/359853040.db2.gz ZDKWUCIGZPGMPY-JTQLQIEISA-N 2 2 270.377 0.422 20 0 CCADLP NC(=O)c1c[nH]c2nc[nH+]c(NCCC[NH+]3CCCC3)c12 ZINC000621247322 366678184 /nfs/dbraw/zinc/67/81/84/366678184.db2.gz OSUMYSVXOPMPLB-UHFFFAOYSA-N 2 2 288.355 0.906 20 0 CCADLP CCOC(=O)CCCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593049721 360020782 /nfs/dbraw/zinc/02/07/82/360020782.db2.gz CXHWGRSFGBHMAB-UHFFFAOYSA-N 2 2 299.415 0.426 20 0 CCADLP CCOC(=O)CCCC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593049721 360020788 /nfs/dbraw/zinc/02/07/88/360020788.db2.gz CXHWGRSFGBHMAB-UHFFFAOYSA-N 2 2 299.415 0.426 20 0 CCADLP C[C@@H](O)CNc1cc(NC[C@@H](C)[NH+](C)C)nc[nH+]1 ZINC000298229788 200366290 /nfs/dbraw/zinc/36/62/90/200366290.db2.gz KUALVLGGNMAKAF-NXEZZACHSA-N 2 2 253.350 0.631 20 0 CCADLP COC(=O)[C@H](C)CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000593907479 360204374 /nfs/dbraw/zinc/20/43/74/360204374.db2.gz PRJQBCPOFYBSJU-ZYHUDNBSSA-N 2 2 285.388 0.066 20 0 CCADLP C[C@H](C[S@](C)=O)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000594500135 360323476 /nfs/dbraw/zinc/32/34/76/360323476.db2.gz LJBGTSDAZVGYKY-UHYGZKCKSA-N 2 2 288.457 0.986 20 0 CCADLP CC(C)[N@H+](C)CC[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000595145320 360443464 /nfs/dbraw/zinc/44/34/64/360443464.db2.gz IBEZJMLGXMGUQA-GFCCVEGCSA-N 2 2 251.378 0.855 20 0 CCADLP CC(C)[N@@H+](C)CC[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000595145320 360443469 /nfs/dbraw/zinc/44/34/69/360443469.db2.gz IBEZJMLGXMGUQA-GFCCVEGCSA-N 2 2 251.378 0.855 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3cc(C4CC4)no3)CCN2C1=O ZINC000594876390 360407174 /nfs/dbraw/zinc/40/71/74/360407174.db2.gz XCXWMXUSGAYNQA-JQWIXIFHSA-N 2 2 276.340 0.296 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3cc(C4CC4)no3)CCN2C1=O ZINC000594876390 360407182 /nfs/dbraw/zinc/40/71/82/360407182.db2.gz XCXWMXUSGAYNQA-JQWIXIFHSA-N 2 2 276.340 0.296 20 0 CCADLP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000594927321 360417531 /nfs/dbraw/zinc/41/75/31/360417531.db2.gz WFKUCLYJLSVSSM-RWMBFGLXSA-N 2 2 284.400 0.884 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000594942875 360422989 /nfs/dbraw/zinc/42/29/89/360422989.db2.gz CTFSHGNELPXACE-XJFOESAGSA-N 2 2 284.400 0.620 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000594942875 360422990 /nfs/dbraw/zinc/42/29/90/360422990.db2.gz CTFSHGNELPXACE-XJFOESAGSA-N 2 2 284.400 0.620 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000594946278 360423536 /nfs/dbraw/zinc/42/35/36/360423536.db2.gz DFIIDEJZSLWUJC-CHWSQXEVSA-N 2 2 279.388 0.913 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000594946278 360423544 /nfs/dbraw/zinc/42/35/44/360423544.db2.gz DFIIDEJZSLWUJC-CHWSQXEVSA-N 2 2 279.388 0.913 20 0 CCADLP [NH3+]C[C@@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)C(F)(F)F ZINC000655924062 412701019 /nfs/dbraw/zinc/70/10/19/412701019.db2.gz FCKMWUPVQRVBBK-JGVFFNPUSA-N 2 2 291.277 0.387 20 0 CCADLP CS[C@H]1CN(Cc2cn(C)c[nH+]2)C[C@@H]1[NH+](C)C ZINC000595404831 360522384 /nfs/dbraw/zinc/52/23/84/360522384.db2.gz UHJOJJPSIJPVOS-RYUDHWBXSA-N 2 2 254.403 0.898 20 0 CCADLP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595507982 360554823 /nfs/dbraw/zinc/55/48/23/360554823.db2.gz SOWAOMFZBFYQFU-HNNXBMFYSA-N 2 2 297.399 0.083 20 0 CCADLP COC(=O)CCNC(=O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595507982 360554825 /nfs/dbraw/zinc/55/48/25/360554825.db2.gz SOWAOMFZBFYQFU-HNNXBMFYSA-N 2 2 297.399 0.083 20 0 CCADLP COC(=O)CCNC(=O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595507982 360554828 /nfs/dbraw/zinc/55/48/28/360554828.db2.gz SOWAOMFZBFYQFU-HNNXBMFYSA-N 2 2 297.399 0.083 20 0 CCADLP COC(=O)CCNC(=O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595507982 360554831 /nfs/dbraw/zinc/55/48/31/360554831.db2.gz SOWAOMFZBFYQFU-HNNXBMFYSA-N 2 2 297.399 0.083 20 0 CCADLP C[C@@H]([NH3+])CCC(=O)NCc1ccc[nH+]c1N(C)C ZINC000193298717 296017526 /nfs/dbraw/zinc/01/75/26/296017526.db2.gz IFADKTCNYSULKS-SNVBAGLBSA-N 2 2 250.346 0.891 20 0 CCADLP COC(=O)C12CC(C1)C[N@@H+]2CCCc1c[nH+]cn1C ZINC000595680170 360618531 /nfs/dbraw/zinc/61/85/31/360618531.db2.gz LXTCKXUDYWSDHR-UHFFFAOYSA-N 2 2 263.341 0.990 20 0 CCADLP COC(=O)C12CC(C1)C[N@H+]2CCCc1c[nH+]cn1C ZINC000595680170 360618535 /nfs/dbraw/zinc/61/85/35/360618535.db2.gz LXTCKXUDYWSDHR-UHFFFAOYSA-N 2 2 263.341 0.990 20 0 CCADLP COC[C@]1(C(=O)OC)CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000595809737 360664208 /nfs/dbraw/zinc/66/42/08/360664208.db2.gz YRTHGYCIAOGJQH-ZDUSSCGKSA-N 2 2 267.329 0.537 20 0 CCADLP COC[C@]1(C(=O)OC)CCC[N@H+]1CCn1cc[nH+]c1 ZINC000595809737 360664213 /nfs/dbraw/zinc/66/42/13/360664213.db2.gz YRTHGYCIAOGJQH-ZDUSSCGKSA-N 2 2 267.329 0.537 20 0 CCADLP COC(=O)[C@@]1(NC(=O)[C@H]([NH3+])CC[NH+](C)C)CC[C@@H](C)CC1 ZINC000595970478 360743907 /nfs/dbraw/zinc/74/39/07/360743907.db2.gz WVNMJDUJAQJUIA-LALPHHSUSA-N 2 2 299.415 0.504 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000563570167 291238231 /nfs/dbraw/zinc/23/82/31/291238231.db2.gz WZJXNVGSYAMPEL-RDBSUJKOSA-N 2 2 296.415 0.101 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000563570167 291238232 /nfs/dbraw/zinc/23/82/32/291238232.db2.gz WZJXNVGSYAMPEL-RDBSUJKOSA-N 2 2 296.415 0.101 20 0 CCADLP c1nc(N2CCOCC2)cc(NCC[C@H]2CCC[NH2+]2)[nH+]1 ZINC000563663766 291246022 /nfs/dbraw/zinc/24/60/22/291246022.db2.gz XIRRHCJRANQCLM-GFCCVEGCSA-N 2 2 277.372 0.867 20 0 CCADLP c1nc(NCC[C@H]2CCC[NH2+]2)cc(N2CCOCC2)[nH+]1 ZINC000563663766 291246023 /nfs/dbraw/zinc/24/60/23/291246023.db2.gz XIRRHCJRANQCLM-GFCCVEGCSA-N 2 2 277.372 0.867 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCOC2CCCCC2)[C@@H](C[NH3+])C1 ZINC000563693078 291246762 /nfs/dbraw/zinc/24/67/62/291246762.db2.gz ZRLHEDIPJPMZNI-ZDUSSCGKSA-N 2 2 298.431 0.620 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCOC2CCCCC2)[C@@H](C[NH3+])C1 ZINC000563693078 291246765 /nfs/dbraw/zinc/24/67/65/291246765.db2.gz ZRLHEDIPJPMZNI-ZDUSSCGKSA-N 2 2 298.431 0.620 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCn2c[nH+]cc2C1 ZINC000563759272 291249981 /nfs/dbraw/zinc/24/99/81/291249981.db2.gz VLLCRQGLUCPAPO-LLVKDONJSA-N 2 2 275.356 0.645 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CCn2c[nH+]cc2C1 ZINC000563759272 291249982 /nfs/dbraw/zinc/24/99/82/291249982.db2.gz VLLCRQGLUCPAPO-LLVKDONJSA-N 2 2 275.356 0.645 20 0 CCADLP Cc1c[nH+]c(C)nc1NC[C@H](C)C[NH+]1CCOCC1 ZINC000563820076 291253169 /nfs/dbraw/zinc/25/31/69/291253169.db2.gz 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C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CCC[NH2+]C1 ZINC000623175814 367462418 /nfs/dbraw/zinc/46/24/18/367462418.db2.gz OZPZVSBDSNOJGB-RWMBFGLXSA-N 2 2 276.384 0.950 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623178495 367465728 /nfs/dbraw/zinc/46/57/28/367465728.db2.gz TXZZEMXLHUVORH-BYNQJWBRSA-N 2 2 276.384 0.948 20 0 CCADLP C[C@@]1(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCC[NH2+]C1 ZINC000623177179 367466333 /nfs/dbraw/zinc/46/63/33/367466333.db2.gz KSNDWLGVCUXVLC-IUODEOHRSA-N 2 2 276.384 0.951 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000623306068 367527216 /nfs/dbraw/zinc/52/72/16/367527216.db2.gz GCVCRCZSGNFVSZ-YPMHNXCESA-N 2 2 278.356 0.035 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000623306068 367527219 /nfs/dbraw/zinc/52/72/19/367527219.db2.gz GCVCRCZSGNFVSZ-YPMHNXCESA-N 2 2 278.356 0.035 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCC[N@@H+](C)CC1)CC2 ZINC000623395373 367554219 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Cc1n[nH]c(C)c1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000623618071 367603582 /nfs/dbraw/zinc/60/35/82/367603582.db2.gz BIOIAKRGRMRWHM-ZDUSSCGKSA-N 2 2 279.388 0.456 20 0 CCADLP Cc1n[nH]c(C)c1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000623618071 367603588 /nfs/dbraw/zinc/60/35/88/367603588.db2.gz BIOIAKRGRMRWHM-ZDUSSCGKSA-N 2 2 279.388 0.456 20 0 CCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(CCC[NH3+])CC1 ZINC000566304253 291392615 /nfs/dbraw/zinc/39/26/15/291392615.db2.gz VWXBUHBRFKNRIW-CQSZACIVSA-N 2 2 282.432 0.354 20 0 CCADLP C[C@@H]1CCCCN1C(=O)CN1CC[NH+](CCC[NH3+])CC1 ZINC000566304253 291392618 /nfs/dbraw/zinc/39/26/18/291392618.db2.gz VWXBUHBRFKNRIW-CQSZACIVSA-N 2 2 282.432 0.354 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000623633473 367610986 /nfs/dbraw/zinc/61/09/86/367610986.db2.gz RFGGBPXAOHZLRW-UONOGXRCSA-N 2 2 296.415 0.101 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000623633473 367610990 /nfs/dbraw/zinc/61/09/90/367610990.db2.gz RFGGBPXAOHZLRW-UONOGXRCSA-N 2 2 296.415 0.101 20 0 CCADLP C[NH+]1CCOC[C@H]1CNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000623633473 367610996 /nfs/dbraw/zinc/61/09/96/367610996.db2.gz RFGGBPXAOHZLRW-UONOGXRCSA-N 2 2 296.415 0.101 20 0 CCADLP C[NH+]1CCOC[C@H]1CNC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000623633473 367611001 /nfs/dbraw/zinc/61/10/01/367611001.db2.gz RFGGBPXAOHZLRW-UONOGXRCSA-N 2 2 296.415 0.101 20 0 CCADLP Nc1nc(Nc2ccc(N3CCCCC3)[nH+]c2)nc(N)[nH+]1 ZINC000623830983 367671636 /nfs/dbraw/zinc/67/16/36/367671636.db2.gz MJMTVSCFUOJPEB-UHFFFAOYSA-N 2 2 286.343 0.248 20 0 CCADLP COc1cc(C[NH2+]CC[N@@H+]2CC[C@H](O)C2)cc(OC)c1 ZINC000623836186 367673752 /nfs/dbraw/zinc/67/37/52/367673752.db2.gz NZIXSBWXUAZDDD-ZDUSSCGKSA-N 2 2 280.368 0.860 20 0 CCADLP COc1cc(C[NH2+]CC[N@H+]2CC[C@H](O)C2)cc(OC)c1 ZINC000623836186 367673755 /nfs/dbraw/zinc/67/37/55/367673755.db2.gz NZIXSBWXUAZDDD-ZDUSSCGKSA-N 2 2 280.368 0.860 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)[C@H]1CCCCO1 ZINC000623892163 367690392 /nfs/dbraw/zinc/69/03/92/367690392.db2.gz GSXPWGGPPTVJET-BFHYXJOUSA-N 2 2 255.406 0.779 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)[C@H]1CCCCO1 ZINC000623892163 367690399 /nfs/dbraw/zinc/69/03/99/367690399.db2.gz GSXPWGGPPTVJET-BFHYXJOUSA-N 2 2 255.406 0.779 20 0 CCADLP Nc1nc(N)[nH+]c(N2CC[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000624000340 367721567 /nfs/dbraw/zinc/72/15/67/367721567.db2.gz XUQBNEAPEQMHET-SNVBAGLBSA-N 2 2 277.376 0.009 20 0 CCADLP C[N@@H+]1CCN(c2nc(N)[nH+]c(N)n2)C[C@H]1Cc1ccccc1 ZINC000624192010 367784070 /nfs/dbraw/zinc/78/40/70/367784070.db2.gz GZIIBVACFGASGA-GFCCVEGCSA-N 2 2 299.382 0.060 20 0 CCADLP C[N@H+]1CCN(c2nc(N)[nH+]c(N)n2)C[C@H]1Cc1ccccc1 ZINC000624192010 367784076 /nfs/dbraw/zinc/78/40/76/367784076.db2.gz GZIIBVACFGASGA-GFCCVEGCSA-N 2 2 299.382 0.060 20 0 CCADLP C[NH+]1CCOC[C@H]1CNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000624194669 367785924 /nfs/dbraw/zinc/78/59/24/367785924.db2.gz MXLIXWQPSJKQHA-UONOGXRCSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH+]1CCOC[C@H]1CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000624194669 367785927 /nfs/dbraw/zinc/78/59/27/367785927.db2.gz MXLIXWQPSJKQHA-UONOGXRCSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH+]1CCC[C@@H](CCNC(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000624194669 367785930 /nfs/dbraw/zinc/78/59/30/367785930.db2.gz MXLIXWQPSJKQHA-UONOGXRCSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH+]1CCC[C@@H](CCNC(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000624194669 367785932 /nfs/dbraw/zinc/78/59/32/367785932.db2.gz MXLIXWQPSJKQHA-UONOGXRCSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@@H]1CN(c2nc(N)[nH+]c(N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000624279499 367818274 /nfs/dbraw/zinc/81/82/74/367818274.db2.gz UCMMCALHMZILGN-LLVKDONJSA-N 2 2 299.382 0.407 20 0 CCADLP C[C@@H]1CN(c2nc(N)[nH+]c(N)n2)CC[N@H+]1Cc1ccccc1 ZINC000624279499 367818276 /nfs/dbraw/zinc/81/82/76/367818276.db2.gz UCMMCALHMZILGN-LLVKDONJSA-N 2 2 299.382 0.407 20 0 CCADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624332968 367836234 /nfs/dbraw/zinc/83/62/34/367836234.db2.gz DSSIQDPXJPRANN-OLZOCXBDSA-N 2 2 271.405 0.290 20 0 CCADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624332968 367836238 /nfs/dbraw/zinc/83/62/38/367836238.db2.gz DSSIQDPXJPRANN-OLZOCXBDSA-N 2 2 271.405 0.290 20 0 CCADLP CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624729062 367969227 /nfs/dbraw/zinc/96/92/27/367969227.db2.gz HSRNANTTYWSPKD-ZDUSSCGKSA-N 2 2 298.431 0.443 20 0 CCADLP CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000624729062 367969234 /nfs/dbraw/zinc/96/92/34/367969234.db2.gz HSRNANTTYWSPKD-ZDUSSCGKSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CCC([NH+]3CCOCC3)CC2)CCO1 ZINC000625545720 368239116 /nfs/dbraw/zinc/23/91/16/368239116.db2.gz GWCPXEFMTDPOBC-OAHLLOKOSA-N 2 2 297.443 0.504 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CCC([NH+]3CCOCC3)CC2)CCO1 ZINC000625545720 368239122 /nfs/dbraw/zinc/23/91/22/368239122.db2.gz GWCPXEFMTDPOBC-OAHLLOKOSA-N 2 2 297.443 0.504 20 0 CCADLP C[N@@H+]1CCC[C@H]1CN1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000625471041 368212556 /nfs/dbraw/zinc/21/25/56/368212556.db2.gz IENGGDFXSQPHGQ-AWEZNQCLSA-N 2 2 263.389 0.622 20 0 CCADLP C[N@H+]1CCC[C@H]1CN1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000625471041 368212560 /nfs/dbraw/zinc/21/25/60/368212560.db2.gz IENGGDFXSQPHGQ-AWEZNQCLSA-N 2 2 263.389 0.622 20 0 CCADLP [NH3+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000566504941 291419254 /nfs/dbraw/zinc/41/92/54/291419254.db2.gz IVAGVFQTHUJTGJ-SNVBAGLBSA-N 2 2 287.323 0.223 20 0 CCADLP C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CC1)[C@H]1CCCC[NH2+]1 ZINC000422919741 296117716 /nfs/dbraw/zinc/11/77/16/296117716.db2.gz KJAPZLQSECCLSU-VXGBXAGGSA-N 2 2 274.430 0.931 20 0 CCADLP Cc1nc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c(C)c(C)[nH+]1 ZINC000656219039 412770332 /nfs/dbraw/zinc/77/03/32/412770332.db2.gz KPOGJWNBKBFXQC-QWHCGFSZSA-N 2 2 262.357 0.657 20 0 CCADLP Cc1nc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c(C)c(C)[nH+]1 ZINC000656219039 412770337 /nfs/dbraw/zinc/77/03/37/412770337.db2.gz KPOGJWNBKBFXQC-QWHCGFSZSA-N 2 2 262.357 0.657 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1C[C@@H]3C[N@H+](C)C[C@@H]3C1)CC2 ZINC000626685604 368609612 /nfs/dbraw/zinc/60/96/12/368609612.db2.gz XCLSNVJUHISGQN-MELADBBJSA-N 2 2 288.395 0.774 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1C[C@@H]3C[N@@H+](C)C[C@@H]3C1)CC2 ZINC000626685604 368609617 /nfs/dbraw/zinc/60/96/17/368609617.db2.gz XCLSNVJUHISGQN-MELADBBJSA-N 2 2 288.395 0.774 20 0 CCADLP O=C([C@H]1CC[NH2+]CC1(F)F)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000343456828 296124901 /nfs/dbraw/zinc/12/49/01/296124901.db2.gz JYWHYVDWDUSMLM-OUAUKWLOSA-N 2 2 273.327 0.584 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC1(C[NH3+])CCOCC1 ZINC000626940440 368690548 /nfs/dbraw/zinc/69/05/48/368690548.db2.gz ZAECFFJRDFDNRR-LLVKDONJSA-N 2 2 281.360 0.079 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000627016045 368739208 /nfs/dbraw/zinc/73/92/08/368739208.db2.gz GEWSBBDQVBGBJD-GARJFASQSA-N 2 2 263.345 0.248 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000627158558 368833541 /nfs/dbraw/zinc/83/35/41/368833541.db2.gz YEHKJVMEDPRYFD-WDEREUQCSA-N 2 2 251.334 0.692 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000627158558 368833546 /nfs/dbraw/zinc/83/35/46/368833546.db2.gz YEHKJVMEDPRYFD-WDEREUQCSA-N 2 2 251.334 0.692 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000627100666 368795445 /nfs/dbraw/zinc/79/54/45/368795445.db2.gz KHXACOOXBPTUBC-CHWSQXEVSA-N 2 2 284.404 0.148 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000627100666 368795452 /nfs/dbraw/zinc/79/54/52/368795452.db2.gz KHXACOOXBPTUBC-CHWSQXEVSA-N 2 2 284.404 0.148 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)CC2 ZINC000627204271 368873275 /nfs/dbraw/zinc/87/32/75/368873275.db2.gz COULXMZLTPJQLI-CMPLNLGQSA-N 2 2 277.372 0.857 20 0 CCADLP C[C@H]1CC[C@@H](NC(=O)N2CCn3c[nH+]cc3C2)C[NH2+]1 ZINC000627206752 368878063 /nfs/dbraw/zinc/87/80/63/368878063.db2.gz ILJLKADWNCMDBC-WDEREUQCSA-N 2 2 263.345 0.549 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C[NH2+]1 ZINC000627209841 368882127 /nfs/dbraw/zinc/88/21/27/368882127.db2.gz JAMYYNXHGMEGPG-MCIONIFRSA-N 2 2 296.415 0.243 20 0 CCADLP CCCN(C(=O)NC[C@@H]1COCC[N@@H+]1C)[C@@H]1CC[NH2+]C1 ZINC000627183224 368851359 /nfs/dbraw/zinc/85/13/59/368851359.db2.gz IJVFIRWHBHYTHC-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP CCCN(C(=O)NC[C@@H]1COCC[N@H+]1C)[C@@H]1CC[NH2+]C1 ZINC000627183224 368851360 /nfs/dbraw/zinc/85/13/60/368851360.db2.gz IJVFIRWHBHYTHC-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000627184184 368853545 /nfs/dbraw/zinc/85/35/45/368853545.db2.gz SRBNYHBNHXQUPY-UKRRQHHQSA-N 2 2 296.415 0.102 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000627184184 368853552 /nfs/dbraw/zinc/85/35/52/368853552.db2.gz SRBNYHBNHXQUPY-UKRRQHHQSA-N 2 2 296.415 0.102 20 0 CCADLP CC(C)(C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1)c1c[nH+]c[nH]1 ZINC000627265815 368933570 /nfs/dbraw/zinc/93/35/70/368933570.db2.gz OJLCSUAUAVHUSR-NEPJUHHUSA-N 2 2 292.383 0.355 20 0 CCADLP CC(C)(C(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1)c1c[nH+]c[nH]1 ZINC000627265815 368933572 /nfs/dbraw/zinc/93/35/72/368933572.db2.gz OJLCSUAUAVHUSR-NEPJUHHUSA-N 2 2 292.383 0.355 20 0 CCADLP C[C@H](CC(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1)n1cc[nH+]c1 ZINC000627271272 368939482 /nfs/dbraw/zinc/93/94/82/368939482.db2.gz TXHLUBLJYNQKDV-MGPQQGTHSA-N 2 2 292.383 0.502 20 0 CCADLP C[C@H](CC(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1)n1cc[nH+]c1 ZINC000627271272 368939486 /nfs/dbraw/zinc/93/94/86/368939486.db2.gz TXHLUBLJYNQKDV-MGPQQGTHSA-N 2 2 292.383 0.502 20 0 CCADLP O=C(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)NC1CC1 ZINC000656261172 412774389 /nfs/dbraw/zinc/77/43/89/412774389.db2.gz DGHJZDKRBVRBQI-CQSZACIVSA-N 2 2 281.400 0.498 20 0 CCADLP Cc1c[nH]c(CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)[nH+]1 ZINC000628167093 369198464 /nfs/dbraw/zinc/19/84/64/369198464.db2.gz CRUSUBMZWHHGJZ-CQSZACIVSA-N 2 2 277.416 0.930 20 0 CCADLP Cc1c[nH]c(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)[nH+]1 ZINC000628167093 369198471 /nfs/dbraw/zinc/19/84/71/369198471.db2.gz CRUSUBMZWHHGJZ-CQSZACIVSA-N 2 2 277.416 0.930 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(Cc2[nH]cc(C)[nH+]2)CC1 ZINC000628185842 369207409 /nfs/dbraw/zinc/20/74/09/369207409.db2.gz NVGKEJMUBNQCHN-LBPRGKRZSA-N 2 2 252.362 0.607 20 0 CCADLP C[C@H](Cc1ccc(O)cc1)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000628498178 369279422 /nfs/dbraw/zinc/27/94/22/369279422.db2.gz HMAWLYSOHLRQRJ-DOMZBBRYSA-N 2 2 264.369 0.979 20 0 CCADLP C[C@H](Cc1ccc(O)cc1)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000628498178 369279427 /nfs/dbraw/zinc/27/94/27/369279427.db2.gz HMAWLYSOHLRQRJ-DOMZBBRYSA-N 2 2 264.369 0.979 20 0 CCADLP Cc1ccc(CCC[NH2+]CCN2CC[C@@H](O)C2)c[nH+]1 ZINC000628464971 369271065 /nfs/dbraw/zinc/27/10/65/369271065.db2.gz PDBYLRXCFSWZIX-OAHLLOKOSA-N 2 2 263.385 0.979 20 0 CCADLP C[N@@H+]1CCCC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000628746579 369373871 /nfs/dbraw/zinc/37/38/71/369373871.db2.gz DVIWKADILXKFKK-GFCCVEGCSA-N 2 2 250.346 0.731 20 0 CCADLP C[N@H+]1CCCC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC000628746579 369373878 /nfs/dbraw/zinc/37/38/78/369373878.db2.gz DVIWKADILXKFKK-GFCCVEGCSA-N 2 2 250.346 0.731 20 0 CCADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@@H](C)O)c2cc1C ZINC000567270506 291471439 /nfs/dbraw/zinc/47/14/39/291471439.db2.gz BQNSZPCEAIPQTH-CHWSQXEVSA-N 2 2 277.368 0.984 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CCOCC(F)F)CC1 ZINC000276222759 193248083 /nfs/dbraw/zinc/24/80/83/193248083.db2.gz MFDSRULNAGFQEY-UHFFFAOYSA-N 2 2 274.315 0.824 20 0 CCADLP CN(C)C(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629566587 369712738 /nfs/dbraw/zinc/71/27/38/369712738.db2.gz ZSOOIEMSMYVJCL-IUCAKERBSA-N 2 2 267.295 0.534 20 0 CCADLP CN(C)C(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629566587 369712740 /nfs/dbraw/zinc/71/27/40/369712740.db2.gz ZSOOIEMSMYVJCL-IUCAKERBSA-N 2 2 267.295 0.534 20 0 CCADLP O[C@@H](C[NH2+][C@H]1CCc2cn[nH]c2C1)C[NH+]1CCCC1 ZINC000629568308 369713840 /nfs/dbraw/zinc/71/38/40/369713840.db2.gz SUDCDDYXFVDQMN-STQMWFEESA-N 2 2 264.373 0.313 20 0 CCADLP C[NH2+]CC1CC[NH+](CCS(=O)(=O)c2ccccn2)CC1 ZINC000629509543 369686583 /nfs/dbraw/zinc/68/65/83/369686583.db2.gz BPXGKXRYZOOFIE-UHFFFAOYSA-N 2 2 297.424 0.787 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000629512588 369688196 /nfs/dbraw/zinc/68/81/96/369688196.db2.gz DCVSFICTLPOACJ-AGIUHOORSA-N 3 2 268.405 0.043 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000629512588 369688203 /nfs/dbraw/zinc/68/82/03/369688203.db2.gz DCVSFICTLPOACJ-AGIUHOORSA-N 3 2 268.405 0.043 20 0 CCADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCS(=O)(=O)c3ccccn3)C[C@H]12 ZINC000629517969 369689788 /nfs/dbraw/zinc/68/97/88/369689788.db2.gz CBMCKDKOZUWSFE-RWMBFGLXSA-N 2 2 295.408 0.524 20 0 CCADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCS(=O)(=O)c3ccccn3)C[C@H]12 ZINC000629517969 369689793 /nfs/dbraw/zinc/68/97/93/369689793.db2.gz CBMCKDKOZUWSFE-RWMBFGLXSA-N 2 2 295.408 0.524 20 0 CCADLP CC[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1nccn1C ZINC000629524491 369690452 /nfs/dbraw/zinc/69/04/52/369690452.db2.gz NDRJALBIPMTTEZ-LLVKDONJSA-N 2 2 252.362 0.969 20 0 CCADLP CC(C)(C)CNC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000629532372 369693436 /nfs/dbraw/zinc/69/34/36/369693436.db2.gz XAASRAMKDJBDLR-VXGBXAGGSA-N 2 2 253.390 0.833 20 0 CCADLP CC(C)(C)CNC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000629532372 369693440 /nfs/dbraw/zinc/69/34/40/369693440.db2.gz XAASRAMKDJBDLR-VXGBXAGGSA-N 2 2 253.390 0.833 20 0 CCADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCS(=O)(=O)c1ccccn1 ZINC000629535267 369694449 /nfs/dbraw/zinc/69/44/49/369694449.db2.gz DYFCRWPHNFRHKG-LBPRGKRZSA-N 2 2 297.424 0.833 20 0 CCADLP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000629550593 369702505 /nfs/dbraw/zinc/70/25/05/369702505.db2.gz NZACCLNFMQCEKA-RYUDHWBXSA-N 2 2 291.351 0.866 20 0 CCADLP [NH3+]CCC1CC[NH+](CCS(=O)(=O)c2ccccn2)CC1 ZINC000629550421 369702761 /nfs/dbraw/zinc/70/27/61/369702761.db2.gz YGMGKLFIGWUWAA-UHFFFAOYSA-N 2 2 297.424 0.916 20 0 CCADLP C[C@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)[C@H]1CCC[NH2+]1 ZINC000629555777 369705594 /nfs/dbraw/zinc/70/55/94/369705594.db2.gz DJVYKCHHRXZALE-UHTWSYAYSA-N 2 2 251.374 0.870 20 0 CCADLP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000629653072 369747777 /nfs/dbraw/zinc/74/77/77/369747777.db2.gz MHZBEPGKUULUGV-UWVGGRQHSA-N 3 2 265.361 0.261 20 0 CCADLP C[C@@H]1[C@H](C(F)(F)F)OCC[N@@H+]1CCOCC[NH3+] ZINC000629580538 369725184 /nfs/dbraw/zinc/72/51/84/369725184.db2.gz UHXHRPGWBVJGJW-RKDXNWHRSA-N 2 2 256.268 0.613 20 0 CCADLP C[C@@H]1[C@H](C(F)(F)F)OCC[N@H+]1CCOCC[NH3+] ZINC000629580538 369725185 /nfs/dbraw/zinc/72/51/85/369725185.db2.gz UHXHRPGWBVJGJW-RKDXNWHRSA-N 2 2 256.268 0.613 20 0 CCADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)[C@H](O)C(F)(F)F ZINC000629583272 369725858 /nfs/dbraw/zinc/72/58/58/369725858.db2.gz XNTQUFYFXRUGHU-AEJSXWLSSA-N 2 2 270.295 0.344 20 0 CCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC[N@@H+]1CC[C@H](O)C1)C2 ZINC000629917288 369833399 /nfs/dbraw/zinc/83/33/99/369833399.db2.gz SRVQCGKFPSLGRR-RYUDHWBXSA-N 2 2 292.383 0.006 20 0 CCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC[N@H+]1CC[C@H](O)C1)C2 ZINC000629917288 369833406 /nfs/dbraw/zinc/83/34/06/369833406.db2.gz SRVQCGKFPSLGRR-RYUDHWBXSA-N 2 2 292.383 0.006 20 0 CCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC[N@@H+]1CC[C@H](O)C1)CC2 ZINC000629917288 369833412 /nfs/dbraw/zinc/83/34/12/369833412.db2.gz SRVQCGKFPSLGRR-RYUDHWBXSA-N 2 2 292.383 0.006 20 0 CCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC[N@H+]1CC[C@H](O)C1)CC2 ZINC000629917288 369833417 /nfs/dbraw/zinc/83/34/17/369833417.db2.gz SRVQCGKFPSLGRR-RYUDHWBXSA-N 2 2 292.383 0.006 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)C1CCC1 ZINC000629969234 369860372 /nfs/dbraw/zinc/86/03/72/369860372.db2.gz AORSGUTWYRRWRN-CQSZACIVSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)C1CCC1 ZINC000629969234 369860377 /nfs/dbraw/zinc/86/03/77/369860377.db2.gz AORSGUTWYRRWRN-CQSZACIVSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NCCC[NH+]1CCCC1 ZINC000630396262 370093294 /nfs/dbraw/zinc/09/32/94/370093294.db2.gz LPXZIQOMBZWRIP-CYBMUJFWSA-N 2 2 284.404 0.102 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)NCCC[NH+]1CCCC1 ZINC000630396262 370093301 /nfs/dbraw/zinc/09/33/01/370093301.db2.gz LPXZIQOMBZWRIP-CYBMUJFWSA-N 2 2 284.404 0.102 20 0 CCADLP Cc1nc(NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)nc(N)[nH+]1 ZINC000631060035 370371036 /nfs/dbraw/zinc/37/10/36/370371036.db2.gz BNIFBNORRGMYDE-PHIMTYICSA-N 2 2 278.404 0.794 20 0 CCADLP Cc1nc(NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)nc(N)[nH+]1 ZINC000631060035 370371039 /nfs/dbraw/zinc/37/10/39/370371039.db2.gz BNIFBNORRGMYDE-PHIMTYICSA-N 2 2 278.404 0.794 20 0 CCADLP Cc1nc(N)nc(NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[nH+]1 ZINC000631060035 370371043 /nfs/dbraw/zinc/37/10/43/370371043.db2.gz BNIFBNORRGMYDE-PHIMTYICSA-N 2 2 278.404 0.794 20 0 CCADLP Cc1nc(N)nc(NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[nH+]1 ZINC000631060035 370371046 /nfs/dbraw/zinc/37/10/46/370371046.db2.gz BNIFBNORRGMYDE-PHIMTYICSA-N 2 2 278.404 0.794 20 0 CCADLP CC(=O)Nc1cccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000631113173 370388534 /nfs/dbraw/zinc/38/85/34/370388534.db2.gz UAARTOKNUJBZMP-HNNXBMFYSA-N 2 2 277.368 0.801 20 0 CCADLP CC(=O)Nc1cccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000631113173 370388539 /nfs/dbraw/zinc/38/85/39/370388539.db2.gz UAARTOKNUJBZMP-HNNXBMFYSA-N 2 2 277.368 0.801 20 0 CCADLP Cc1[nH+]cc(C[NH2+]C2CN(c3ccncn3)C2)n1C ZINC000631255445 370439559 /nfs/dbraw/zinc/43/95/59/370439559.db2.gz GHHDLJXIOBRRSX-UHFFFAOYSA-N 2 2 258.329 0.497 20 0 CCADLP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000331938759 204314661 /nfs/dbraw/zinc/31/46/61/204314661.db2.gz FPTHUGCCKBJPCJ-ZIAGYGMSSA-N 3 2 282.432 0.400 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)N(C)Cc2[nH]cc[nH+]2)n1C ZINC000633091641 371393296 /nfs/dbraw/zinc/39/32/96/371393296.db2.gz JYBQAMTXVZYRHD-UHFFFAOYSA-N 2 2 291.359 0.551 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NC(C)(C)C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000633449166 371548133 /nfs/dbraw/zinc/54/81/33/371548133.db2.gz SUTNBLHBQOCXDQ-UONOGXRCSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NC(C)(C)C[NH+]2CCOCC2)CC[N@H+]1C ZINC000633449166 371548141 /nfs/dbraw/zinc/54/81/41/371548141.db2.gz SUTNBLHBQOCXDQ-UONOGXRCSA-N 2 2 297.443 0.944 20 0 CCADLP CCn1ncc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1C ZINC000633617499 371633962 /nfs/dbraw/zinc/63/39/62/371633962.db2.gz MAOSLKFQYNZRQO-UHFFFAOYSA-N 2 2 295.431 0.825 20 0 CCADLP CCn1ncc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1C ZINC000633617499 371633966 /nfs/dbraw/zinc/63/39/66/371633966.db2.gz MAOSLKFQYNZRQO-UHFFFAOYSA-N 2 2 295.431 0.825 20 0 CCADLP C[C@H]1C[N@H+](CCN2CC[NH+](C)CC2(C)C)CCO1 ZINC000337324133 214007132 /nfs/dbraw/zinc/00/71/32/214007132.db2.gz TYYLBPRVXYZQFH-ZDUSSCGKSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@H]1C[N@@H+](CCN2CC[NH+](C)CC2(C)C)CCO1 ZINC000337324133 214007134 /nfs/dbraw/zinc/00/71/34/214007134.db2.gz TYYLBPRVXYZQFH-ZDUSSCGKSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@H]1C[NH+](CCN2CC[N@H+](C)CC2(C)C)CCO1 ZINC000337324133 214007137 /nfs/dbraw/zinc/00/71/37/214007137.db2.gz TYYLBPRVXYZQFH-ZDUSSCGKSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@H]1C[NH+](CCN2CC[N@@H+](C)CC2(C)C)CCO1 ZINC000337324133 214007139 /nfs/dbraw/zinc/00/71/39/214007139.db2.gz TYYLBPRVXYZQFH-ZDUSSCGKSA-N 2 2 255.406 0.733 20 0 CCADLP CO[C@@H](C)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634193835 371944207 /nfs/dbraw/zinc/94/42/07/371944207.db2.gz CZLRSTKMDDRFKX-NSHDSACASA-N 2 2 278.356 0.807 20 0 CCADLP CO[C@@H]1CN(c2nc[nH+]c3c2OCCN3)[C@@](C)(C[NH3+])C1 ZINC000634240543 371964403 /nfs/dbraw/zinc/96/44/03/371964403.db2.gz ZUNGHGRLMUWYCB-TVQRCGJNSA-N 2 2 279.344 0.223 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC000634708608 372154255 /nfs/dbraw/zinc/15/42/55/372154255.db2.gz XDIAEIICACXNBY-SNPRPXQTSA-N 2 2 298.427 0.351 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC000634708608 372154264 /nfs/dbraw/zinc/15/42/64/372154264.db2.gz XDIAEIICACXNBY-SNPRPXQTSA-N 2 2 298.427 0.351 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCCn2nccc21)C1CC1 ZINC000634730889 372176988 /nfs/dbraw/zinc/17/69/88/372176988.db2.gz WRDZFDBPLBWBQT-STQMWFEESA-N 2 2 264.373 0.763 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCCn2nccc21)C1CC1 ZINC000634730889 372176993 /nfs/dbraw/zinc/17/69/93/372176993.db2.gz WRDZFDBPLBWBQT-STQMWFEESA-N 2 2 264.373 0.763 20 0 CCADLP c1cc(N2CCC[C@H]3C[NH2+]C[C@H]32)nc(N2CCOCC2)[nH+]1 ZINC000634810922 372255275 /nfs/dbraw/zinc/25/52/75/372255275.db2.gz NFVVTJAXDQTILY-QWHCGFSZSA-N 2 2 289.383 0.501 20 0 CCADLP C[C@H](O)CNc1cc(N2CCC[C@@H]3C[NH2+]CC[C@H]32)nc[nH+]1 ZINC000634812958 372256608 /nfs/dbraw/zinc/25/66/08/372256608.db2.gz VKWASKNXRGXOOF-YNEHKIRRSA-N 2 2 291.399 0.848 20 0 CCADLP C[C@H](O)CNc1cc(N2CCC[C@@H]3C[NH2+]CC[C@H]32)[nH+]cn1 ZINC000634812958 372256617 /nfs/dbraw/zinc/25/66/17/372256617.db2.gz VKWASKNXRGXOOF-YNEHKIRRSA-N 2 2 291.399 0.848 20 0 CCADLP CN(c1cc(-n2cccn2)nc(N)[nH+]1)[C@@H](C[NH3+])C1CC1 ZINC000634811580 372256716 /nfs/dbraw/zinc/25/67/16/372256716.db2.gz JZCNPJSHQVVORM-JTQLQIEISA-N 2 2 273.344 0.248 20 0 CCADLP CN(c1cc(N2CCOCC2)[nH+]cn1)[C@@H](C[NH3+])C1CC1 ZINC000634811813 372257129 /nfs/dbraw/zinc/25/71/29/372257129.db2.gz RCTVOTRIELUQEW-LBPRGKRZSA-N 2 2 277.372 0.487 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H]2CCNC(=O)CC2)C1 ZINC000634950472 372307850 /nfs/dbraw/zinc/30/78/50/372307850.db2.gz STVMVGSKSSZQSG-KBPBESRZSA-N 2 2 283.416 0.602 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H]2CCNC(=O)CC2)C1 ZINC000634950472 372307856 /nfs/dbraw/zinc/30/78/56/372307856.db2.gz STVMVGSKSSZQSG-KBPBESRZSA-N 2 2 283.416 0.602 20 0 CCADLP c1cc(C[NH+]2CCN(CC34CC(C3)C[NH2+]4)CC2)ccn1 ZINC000634993060 372328813 /nfs/dbraw/zinc/32/88/13/372328813.db2.gz JZKDZRSAKDGARX-UHFFFAOYSA-N 2 2 272.396 0.951 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[NH+](CC)CC2)[nH+]1 ZINC000635058661 372358787 /nfs/dbraw/zinc/35/87/87/372358787.db2.gz NJHHPJHMHQDIEG-UHFFFAOYSA-N 2 2 250.346 0.679 20 0 CCADLP C[C@H](C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)[NH+](C)C ZINC000635166411 372401198 /nfs/dbraw/zinc/40/11/98/372401198.db2.gz UFAAEFGGFRCBOI-JHJVBQTASA-N 2 2 285.432 0.941 20 0 CCADLP C[N@@H+]1CC[C@@H](CC(=O)NCCCn2cc[nH+]c2)C1 ZINC000635067424 372364641 /nfs/dbraw/zinc/36/46/41/372364641.db2.gz SDPBNUMDMSCYER-LBPRGKRZSA-N 2 2 250.346 0.731 20 0 CCADLP C[N@H+]1CC[C@@H](CC(=O)NCCCn2cc[nH+]c2)C1 ZINC000635067424 372364651 /nfs/dbraw/zinc/36/46/51/372364651.db2.gz SDPBNUMDMSCYER-LBPRGKRZSA-N 2 2 250.346 0.731 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000635314157 372455306 /nfs/dbraw/zinc/45/53/06/372455306.db2.gz TYKPOODBPUVXIE-ZDUSSCGKSA-N 2 2 294.399 0.843 20 0 CCADLP C[C@H](C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1)[NH+](C)C ZINC000635654138 372731630 /nfs/dbraw/zinc/73/16/30/372731630.db2.gz USWGULPXZOOVIS-CYBMUJFWSA-N 2 2 291.395 0.987 20 0 CCADLP O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635710052 372797751 /nfs/dbraw/zinc/79/77/51/372797751.db2.gz ICWCUDSPUNAXGI-YNEHKIRRSA-N 2 2 292.383 0.476 20 0 CCADLP O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635710052 372797763 /nfs/dbraw/zinc/79/77/63/372797763.db2.gz ICWCUDSPUNAXGI-YNEHKIRRSA-N 2 2 292.383 0.476 20 0 CCADLP C[C@H](NC(=O)N[C@H]1CCC[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000333366399 205258789 /nfs/dbraw/zinc/25/87/89/205258789.db2.gz LVMDBPAHWJZTLD-AVGNSLFASA-N 2 2 284.404 0.147 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1NCc1n[nH]c(C2CC[NH2+]CC2)n1 ZINC000333463040 205342062 /nfs/dbraw/zinc/34/20/62/205342062.db2.gz GXCNNMBDGRDIJI-PWSUYJOCSA-N 2 2 278.404 0.311 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1NCc1n[nH]c(C2CC[NH2+]CC2)n1 ZINC000333463040 205342066 /nfs/dbraw/zinc/34/20/66/205342066.db2.gz GXCNNMBDGRDIJI-PWSUYJOCSA-N 2 2 278.404 0.311 20 0 CCADLP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333463040 205342071 /nfs/dbraw/zinc/34/20/71/205342071.db2.gz GXCNNMBDGRDIJI-PWSUYJOCSA-N 2 2 278.404 0.311 20 0 CCADLP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000635919016 373104959 /nfs/dbraw/zinc/10/49/59/373104959.db2.gz WLJKFOLRPCXEMO-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000635919016 373104968 /nfs/dbraw/zinc/10/49/68/373104968.db2.gz WLJKFOLRPCXEMO-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP O=C(N[C@H]1CCC[N@@H+](CCCO)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635976591 373192437 /nfs/dbraw/zinc/19/24/37/373192437.db2.gz LULOWPDIZVHHDS-YNEHKIRRSA-N 2 2 292.383 0.476 20 0 CCADLP O=C(N[C@H]1CCC[N@H+](CCCO)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635976591 373192447 /nfs/dbraw/zinc/19/24/47/373192447.db2.gz LULOWPDIZVHHDS-YNEHKIRRSA-N 2 2 292.383 0.476 20 0 CCADLP O=C(N[C@H]1CCC[N@@H+](CCCO)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635976591 373192455 /nfs/dbraw/zinc/19/24/55/373192455.db2.gz LULOWPDIZVHHDS-YNEHKIRRSA-N 2 2 292.383 0.476 20 0 CCADLP CCc1c[nH]c(CC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)[nH+]1 ZINC000636036052 373284318 /nfs/dbraw/zinc/28/43/18/373284318.db2.gz XXQJGMNITCKGBF-NEPJUHHUSA-N 2 2 294.399 0.428 20 0 CCADLP CCc1c[nH]c(CC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)[nH+]1 ZINC000636036052 373284325 /nfs/dbraw/zinc/28/43/25/373284325.db2.gz XXQJGMNITCKGBF-NEPJUHHUSA-N 2 2 294.399 0.428 20 0 CCADLP C[NH+](C)[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1(C)C ZINC000636088718 373345641 /nfs/dbraw/zinc/34/56/41/373345641.db2.gz HOSZMFSPVYJBLL-QWRGUYRKSA-N 2 2 250.346 0.728 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000636099257 373356485 /nfs/dbraw/zinc/35/64/85/373356485.db2.gz QEWXSRWFMDAOLH-VXGBXAGGSA-N 2 2 264.373 0.808 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC1([NH3+])CCCC1 ZINC000656474370 412810305 /nfs/dbraw/zinc/81/03/05/412810305.db2.gz SVTUTLBWYFVLCM-LLVKDONJSA-N 2 2 265.361 0.842 20 0 CCADLP CC(C)C[C@@H](C(=O)NCC[N@@H+]1CC[C@@H](O)C1)n1cc[nH+]c1 ZINC000636288104 373524488 /nfs/dbraw/zinc/52/44/88/373524488.db2.gz QXZNQIBYXDSXJH-KGLIPLIRSA-N 2 2 294.399 0.653 20 0 CCADLP CC(C)C[C@@H](C(=O)NCC[N@H+]1CC[C@@H](O)C1)n1cc[nH+]c1 ZINC000636288104 373524496 /nfs/dbraw/zinc/52/44/96/373524496.db2.gz QXZNQIBYXDSXJH-KGLIPLIRSA-N 2 2 294.399 0.653 20 0 CCADLP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636812551 373768354 /nfs/dbraw/zinc/76/83/54/373768354.db2.gz CNANGCYCDPYBKE-STQMWFEESA-N 2 2 289.383 0.591 20 0 CCADLP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636812551 373768362 /nfs/dbraw/zinc/76/83/62/373768362.db2.gz CNANGCYCDPYBKE-STQMWFEESA-N 2 2 289.383 0.591 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636845838 373784763 /nfs/dbraw/zinc/78/47/63/373784763.db2.gz OHKCIKBPEOAXIV-LBPRGKRZSA-N 2 2 295.387 0.075 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636845838 373784771 /nfs/dbraw/zinc/78/47/71/373784771.db2.gz OHKCIKBPEOAXIV-LBPRGKRZSA-N 2 2 295.387 0.075 20 0 CCADLP C/C=C\CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000636985929 373856262 /nfs/dbraw/zinc/85/62/62/373856262.db2.gz DSQHDVKESUJNRQ-PLNGDYQASA-N 2 2 268.405 0.888 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000636989274 373860873 /nfs/dbraw/zinc/86/08/73/373860873.db2.gz UVPAURZKFVMEES-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)C[NH+]2CC[C@H](C)C2)CCO1 ZINC000574462264 335021747 /nfs/dbraw/zinc/02/17/47/335021747.db2.gz DTJANNYWCQTHFW-UONOGXRCSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)C[NH+]2CC[C@H](C)C2)CCO1 ZINC000574462264 335021749 /nfs/dbraw/zinc/02/17/49/335021749.db2.gz DTJANNYWCQTHFW-UONOGXRCSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@@H]1C[NH+](CCNC(=O)C[N@@H+]2CC[C@H](C)C2)CCO1 ZINC000574462264 335021751 /nfs/dbraw/zinc/02/17/51/335021751.db2.gz DTJANNYWCQTHFW-UONOGXRCSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@@H]1C[NH+](CCNC(=O)C[N@H+]2CC[C@H](C)C2)CCO1 ZINC000574462264 335021753 /nfs/dbraw/zinc/02/17/53/335021753.db2.gz DTJANNYWCQTHFW-UONOGXRCSA-N 2 2 283.416 0.555 20 0 CCADLP C[NH+](C)C1(CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)CCC1 ZINC000637071424 373913780 /nfs/dbraw/zinc/91/37/80/373913780.db2.gz URWHMWSBYGPDDN-LLVKDONJSA-N 2 2 277.372 0.591 20 0 CCADLP Cc1cc(CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)cc(C)[nH+]1 ZINC000637235203 374036547 /nfs/dbraw/zinc/03/65/47/374036547.db2.gz XSIMNJIEIKPQBL-AWEZNQCLSA-N 2 2 292.383 0.564 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCC[NH2+]C1CC1 ZINC000637318210 374101997 /nfs/dbraw/zinc/10/19/97/374101997.db2.gz VTEHEKBEEMJFPL-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP O=C(NCC[NH2+]C1CC1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000637318147 374102506 /nfs/dbraw/zinc/10/25/06/374102506.db2.gz TYUMVWHRKOKVHR-CQSZACIVSA-N 2 2 290.367 0.996 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)NC(C)(C)CCC[NH+](C)C ZINC000637319802 374103678 /nfs/dbraw/zinc/10/36/78/374103678.db2.gz IMPSXJNBTINCBP-CYBMUJFWSA-N 2 2 285.432 0.944 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)NC(C)(C)CCC[NH+](C)C ZINC000637319802 374103683 /nfs/dbraw/zinc/10/36/83/374103683.db2.gz IMPSXJNBTINCBP-CYBMUJFWSA-N 2 2 285.432 0.944 20 0 CCADLP C[C@@H]1C[NH+](CCCNC(=O)N2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000637434095 374149277 /nfs/dbraw/zinc/14/92/77/374149277.db2.gz NMKVNOVQQZDOSD-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP CCN(C(=O)NC[C@H]1COCC[NH+]1C)[C@H]1CC[N@H+](C)C1 ZINC000637440488 374154652 /nfs/dbraw/zinc/15/46/52/374154652.db2.gz MKJBXQPVNRCJCC-STQMWFEESA-N 2 2 284.404 0.053 20 0 CCADLP CCN(C(=O)NC[C@H]1COCC[NH+]1C)[C@H]1CC[N@@H+](C)C1 ZINC000637440488 374154661 /nfs/dbraw/zinc/15/46/61/374154661.db2.gz MKJBXQPVNRCJCC-STQMWFEESA-N 2 2 284.404 0.053 20 0 CCADLP CCN(C(=O)NC[C@H]1COCC[N@@H+]1C)[C@H]1CC[NH+](C)C1 ZINC000637440488 374154669 /nfs/dbraw/zinc/15/46/69/374154669.db2.gz MKJBXQPVNRCJCC-STQMWFEESA-N 2 2 284.404 0.053 20 0 CCADLP CCN(C(=O)NC[C@H]1COCC[N@H+]1C)[C@H]1CC[NH+](C)C1 ZINC000637440488 374154674 /nfs/dbraw/zinc/15/46/74/374154674.db2.gz MKJBXQPVNRCJCC-STQMWFEESA-N 2 2 284.404 0.053 20 0 CCADLP CCN(C(=O)NC[C@@H]1COCC[NH+]1C)[C@@H]1CC[N@H+](C)C1 ZINC000637440485 374154886 /nfs/dbraw/zinc/15/48/86/374154886.db2.gz MKJBXQPVNRCJCC-CHWSQXEVSA-N 2 2 284.404 0.053 20 0 CCADLP CCN(C(=O)NC[C@@H]1COCC[NH+]1C)[C@@H]1CC[N@@H+](C)C1 ZINC000637440485 374154892 /nfs/dbraw/zinc/15/48/92/374154892.db2.gz MKJBXQPVNRCJCC-CHWSQXEVSA-N 2 2 284.404 0.053 20 0 CCADLP CCN(C(=O)NC[C@@H]1COCC[N@@H+]1C)[C@@H]1CC[NH+](C)C1 ZINC000637440485 374154898 /nfs/dbraw/zinc/15/48/98/374154898.db2.gz MKJBXQPVNRCJCC-CHWSQXEVSA-N 2 2 284.404 0.053 20 0 CCADLP CCN(C(=O)NC[C@@H]1COCC[N@H+]1C)[C@@H]1CC[NH+](C)C1 ZINC000637440485 374154904 /nfs/dbraw/zinc/15/49/04/374154904.db2.gz MKJBXQPVNRCJCC-CHWSQXEVSA-N 2 2 284.404 0.053 20 0 CCADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@H]1COCC[NH+]1C ZINC000637441897 374159948 /nfs/dbraw/zinc/15/99/48/374159948.db2.gz BSXHYCSYGUVABA-KGLIPLIRSA-N 2 2 298.431 0.300 20 0 CCADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@H]1COCC[NH+]1C ZINC000637441897 374159951 /nfs/dbraw/zinc/15/99/51/374159951.db2.gz BSXHYCSYGUVABA-KGLIPLIRSA-N 2 2 298.431 0.300 20 0 CCADLP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637441897 374159952 /nfs/dbraw/zinc/15/99/52/374159952.db2.gz BSXHYCSYGUVABA-KGLIPLIRSA-N 2 2 298.431 0.300 20 0 CCADLP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000637441897 374159957 /nfs/dbraw/zinc/15/99/57/374159957.db2.gz BSXHYCSYGUVABA-KGLIPLIRSA-N 2 2 298.431 0.300 20 0 CCADLP C[NH2+]C[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000637799831 374325835 /nfs/dbraw/zinc/32/58/35/374325835.db2.gz QTSKIQXOLUDSTN-LLVKDONJSA-N 2 2 250.346 0.719 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000334122236 206032142 /nfs/dbraw/zinc/03/21/42/206032142.db2.gz MGEDKIFCRZVWHN-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000334122236 206032145 /nfs/dbraw/zinc/03/21/45/206032145.db2.gz MGEDKIFCRZVWHN-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[NH2+]C[C@H]1C)CC2 ZINC000637819307 374356694 /nfs/dbraw/zinc/35/66/94/374356694.db2.gz SCHQCHKSNWKQEV-VXGBXAGGSA-N 2 2 262.357 0.574 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CCC[C@H]([NH2+]C)C2)[nH+]1 ZINC000637822386 374359783 /nfs/dbraw/zinc/35/97/83/374359783.db2.gz ANJWDKPFXMIXAS-NSHDSACASA-N 2 2 250.346 0.725 20 0 CCADLP C[NH2+]CCNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000637826222 374365634 /nfs/dbraw/zinc/36/56/34/374365634.db2.gz MOBVKHACHGOBKS-MRVPVSSYSA-N 2 2 264.251 0.712 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC[C@@H]([NH3+])C(C)C)CC2 ZINC000637849151 374404157 /nfs/dbraw/zinc/40/41/57/374404157.db2.gz MZVLJYFPJOMDAS-NWDGAFQWSA-N 2 2 264.373 0.853 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000637850305 374405826 /nfs/dbraw/zinc/40/58/26/374405826.db2.gz WQGWKORJTTUBOB-KOLCDFICSA-N 2 2 250.346 0.846 20 0 CCADLP C[N@@H+]1CCC[C@H]1[C@H]1CCCN1Cc1c[nH+]c(N)nc1N ZINC000638053711 374597714 /nfs/dbraw/zinc/59/77/14/374597714.db2.gz AGMVEWIQJSAPTI-NWDGAFQWSA-N 2 2 276.388 0.360 20 0 CCADLP C[N@H+]1CCC[C@H]1[C@H]1CCCN1Cc1c[nH+]c(N)nc1N ZINC000638053711 374597719 /nfs/dbraw/zinc/59/77/19/374597719.db2.gz AGMVEWIQJSAPTI-NWDGAFQWSA-N 2 2 276.388 0.360 20 0 CCADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000638061817 374606784 /nfs/dbraw/zinc/60/67/84/374606784.db2.gz HUZOEDKGHLSZBX-TZMCWYRMSA-N 2 2 267.373 0.060 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000638072818 374623363 /nfs/dbraw/zinc/62/33/63/374623363.db2.gz KISFYLSIEZLZOD-LBPRGKRZSA-N 2 2 294.399 0.934 20 0 CCADLP CC[NH2+][C@H](C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000638072937 374625606 /nfs/dbraw/zinc/62/56/06/374625606.db2.gz VXPAXXFVSQAWJE-LLVKDONJSA-N 2 2 264.373 0.876 20 0 CCADLP CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000568533955 291604077 /nfs/dbraw/zinc/60/40/77/291604077.db2.gz ZYVXJKLDCCNHFL-NWDGAFQWSA-N 2 2 250.346 0.733 20 0 CCADLP Cc1[nH+]c2n(c1C)CCN(C(=O)[C@@]1(C)C[NH2+]CCO1)C2 ZINC000638096297 374659496 /nfs/dbraw/zinc/65/94/96/374659496.db2.gz HEAXWQBEKCDBBB-CQSZACIVSA-N 2 2 278.356 0.221 20 0 CCADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000638098977 374661368 /nfs/dbraw/zinc/66/13/68/374661368.db2.gz JLRVHNDLEYBTEQ-WFASDCNBSA-N 2 2 292.383 0.603 20 0 CCADLP CC(C)CC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000638099284 374662878 /nfs/dbraw/zinc/66/28/78/374662878.db2.gz SBHZVLSBGCTUAB-OLZOCXBDSA-N 2 2 271.405 0.587 20 0 CCADLP CC(C)CC[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000638099284 374662886 /nfs/dbraw/zinc/66/28/86/374662886.db2.gz SBHZVLSBGCTUAB-OLZOCXBDSA-N 2 2 271.405 0.587 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638120534 374687445 /nfs/dbraw/zinc/68/74/45/374687445.db2.gz ABPLZGRBKLQHAZ-OAHLLOKOSA-N 2 2 294.399 0.911 20 0 CCADLP CC(C)CC[C@@H]([NH3+])C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000638125953 374695268 /nfs/dbraw/zinc/69/52/68/374695268.db2.gz NUSMIEOZHOUOTB-GFCCVEGCSA-N 2 2 298.431 0.158 20 0 CCADLP [NH3+]C[C@H]1CN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CCO1 ZINC000638171510 374753881 /nfs/dbraw/zinc/75/38/81/374753881.db2.gz LNICMYAQXRWZJG-ZDUSSCGKSA-N 2 2 286.335 0.876 20 0 CCADLP [NH3+][C@@H]1CC=C(C(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000638136504 374707599 /nfs/dbraw/zinc/70/75/99/374707599.db2.gz HNYJGLCWMRULIO-CQSZACIVSA-N 2 2 286.379 0.773 20 0 CCADLP CCc1c[nH]c(CC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)[nH+]1 ZINC000638145619 374716309 /nfs/dbraw/zinc/71/63/09/374716309.db2.gz MGKXXAOPKZFTGE-VHSXEESVSA-N 2 2 250.346 0.710 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)CC2 ZINC000638176883 374761291 /nfs/dbraw/zinc/76/12/91/374761291.db2.gz HRYFPKUDBDTXNF-UHTWSYAYSA-N 2 2 276.384 0.868 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@@H]([NH3+])C1CC1)CC2 ZINC000638155312 374726898 /nfs/dbraw/zinc/72/68/98/374726898.db2.gz UMVPPABCBUPZCX-VXGBXAGGSA-N 2 2 262.357 0.607 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[C@H]([NH3+])[C@@H]1C)CC2 ZINC000638233979 374827275 /nfs/dbraw/zinc/82/72/75/374827275.db2.gz IFSQMUTVNKRWDF-TUAOUCFPSA-N 2 2 262.357 0.702 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC[C@H]3C[NH2+]C[C@H]31)CC2 ZINC000638269156 374869945 /nfs/dbraw/zinc/86/99/45/374869945.db2.gz WVVMWFFRBNIBBJ-HZSPNIEDSA-N 2 2 288.395 0.964 20 0 CCADLP CCC[NH+](CCC)CCC[NH2+]Cc1cnc(N)nc1N ZINC000638278539 374883872 /nfs/dbraw/zinc/88/38/72/374883872.db2.gz IERKSKZMOJKGOO-UHFFFAOYSA-N 2 2 280.420 0.903 20 0 CCADLP C[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)[C@H]1CCC[NH2+]1 ZINC000574563321 335029659 /nfs/dbraw/zinc/02/96/59/335029659.db2.gz ZYTTVDAIUVHDJI-JHJVBQTASA-N 2 2 289.445 0.531 20 0 CCADLP C[C@]1(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C[NH2+]CCO1 ZINC000638289616 374896443 /nfs/dbraw/zinc/89/64/43/374896443.db2.gz LKCADMVAFIFBAT-SWLSCSKDSA-N 2 2 290.367 0.155 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)CC2 ZINC000638246856 374840649 /nfs/dbraw/zinc/84/06/49/374840649.db2.gz GKEXTLHWJWEZPI-WOPDTQHZSA-N 2 2 280.347 0.570 20 0 CCADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000638363176 374958703 /nfs/dbraw/zinc/95/87/03/374958703.db2.gz KQAFQBBXDNJNHQ-CHWSQXEVSA-N 2 2 253.390 0.977 20 0 CCADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000638363176 374958709 /nfs/dbraw/zinc/95/87/09/374958709.db2.gz KQAFQBBXDNJNHQ-CHWSQXEVSA-N 2 2 253.390 0.977 20 0 CCADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000638363177 374959277 /nfs/dbraw/zinc/95/92/77/374959277.db2.gz KQAFQBBXDNJNHQ-OLZOCXBDSA-N 2 2 253.390 0.977 20 0 CCADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000638363177 374959283 /nfs/dbraw/zinc/95/92/83/374959283.db2.gz KQAFQBBXDNJNHQ-OLZOCXBDSA-N 2 2 253.390 0.977 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638401881 374997530 /nfs/dbraw/zinc/99/75/30/374997530.db2.gz IFYUQBFIWRNPFE-GFCCVEGCSA-N 2 2 252.318 0.124 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638401881 374997536 /nfs/dbraw/zinc/99/75/36/374997536.db2.gz IFYUQBFIWRNPFE-GFCCVEGCSA-N 2 2 252.318 0.124 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638409773 375006618 /nfs/dbraw/zinc/00/66/18/375006618.db2.gz ROVPXWBAVLAOPD-CYBMUJFWSA-N 3 2 268.405 0.034 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638409773 375006624 /nfs/dbraw/zinc/00/66/24/375006624.db2.gz ROVPXWBAVLAOPD-CYBMUJFWSA-N 3 2 268.405 0.034 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000638414581 375012684 /nfs/dbraw/zinc/01/26/84/375012684.db2.gz RAONWINABIMQMS-GFCCVEGCSA-N 2 2 293.367 0.593 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)CC2 ZINC000638431544 375029789 /nfs/dbraw/zinc/02/97/89/375029789.db2.gz RXSOQTWTXBQYPM-QJPTWQEYSA-N 2 2 280.347 0.652 20 0 CCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)CCn1cc[nH+]c1 ZINC000638487886 375080433 /nfs/dbraw/zinc/08/04/33/375080433.db2.gz BSXWCONDWIKXDB-LBPRGKRZSA-N 2 2 250.346 0.730 20 0 CCADLP C[C@@H]1CCC[C@H](C)[N@H+]1CCNCc1c[nH+]c(N)nc1N ZINC000638579537 375160483 /nfs/dbraw/zinc/16/04/83/375160483.db2.gz RWHPPUIMWXGVDR-PHIMTYICSA-N 2 2 278.404 0.654 20 0 CCADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNCc1c[nH+]c(N)nc1N ZINC000638579537 375160492 /nfs/dbraw/zinc/16/04/92/375160492.db2.gz RWHPPUIMWXGVDR-PHIMTYICSA-N 2 2 278.404 0.654 20 0 CCADLP Cc1cc(NCCNC(=O)[C@H](C)C[NH3+])nc(C(C)C)[nH+]1 ZINC000638582941 375162493 /nfs/dbraw/zinc/16/24/93/375162493.db2.gz DHQSATJOZDJNSF-SNVBAGLBSA-N 2 2 279.388 0.453 20 0 CCADLP Cc1cc(NCCNC(=O)CC(C)(C)[NH3+])nc(C(C)C)[nH+]1 ZINC000638583812 375164596 /nfs/dbraw/zinc/16/45/96/375164596.db2.gz NXNQUJHYMSSWTI-UHFFFAOYSA-N 2 2 293.415 0.986 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000638609137 375188967 /nfs/dbraw/zinc/18/89/67/375188967.db2.gz DZAVKHHNXORPLQ-ZIAGYGMSSA-N 2 2 295.358 0.315 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000638609137 375188976 /nfs/dbraw/zinc/18/89/76/375188976.db2.gz DZAVKHHNXORPLQ-ZIAGYGMSSA-N 2 2 295.358 0.315 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638608841 375189071 /nfs/dbraw/zinc/18/90/71/375189071.db2.gz CDPIDVNQGZESSQ-NSHDSACASA-N 2 2 257.378 0.198 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)NC[C@H]1COCC[N@H+]1C ZINC000638608841 375189073 /nfs/dbraw/zinc/18/90/73/375189073.db2.gz CDPIDVNQGZESSQ-NSHDSACASA-N 2 2 257.378 0.198 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000638609125 375189314 /nfs/dbraw/zinc/18/93/14/375189314.db2.gz DZAVKHHNXORPLQ-KBPBESRZSA-N 2 2 295.358 0.315 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000638609125 375189321 /nfs/dbraw/zinc/18/93/21/375189321.db2.gz DZAVKHHNXORPLQ-KBPBESRZSA-N 2 2 295.358 0.315 20 0 CCADLP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638611331 375192659 /nfs/dbraw/zinc/19/26/59/375192659.db2.gz OFEFFXUYVJNRLC-VXGBXAGGSA-N 2 2 257.378 0.197 20 0 CCADLP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638611331 375192664 /nfs/dbraw/zinc/19/26/64/375192664.db2.gz OFEFFXUYVJNRLC-VXGBXAGGSA-N 2 2 257.378 0.197 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000638611679 375194053 /nfs/dbraw/zinc/19/40/53/375194053.db2.gz PNBIVDUXZYXGQA-XUXIUFHCSA-N 2 2 281.400 0.354 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000638611679 375194058 /nfs/dbraw/zinc/19/40/58/375194058.db2.gz PNBIVDUXZYXGQA-XUXIUFHCSA-N 2 2 281.400 0.354 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000638612051 375194322 /nfs/dbraw/zinc/19/43/22/375194322.db2.gz SFLKBEJMGMCCPV-CHWSQXEVSA-N 2 2 263.341 0.133 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000638612051 375194327 /nfs/dbraw/zinc/19/43/27/375194327.db2.gz SFLKBEJMGMCCPV-CHWSQXEVSA-N 2 2 263.341 0.133 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1C[C@H]1c1ccsc1 ZINC000638629136 375231518 /nfs/dbraw/zinc/23/15/18/375231518.db2.gz TYYRISZQZUGYPM-QJPTWQEYSA-N 2 2 267.398 0.999 20 0 CCADLP CC(C)[NH+](CCC[NH2+]Cc1cnc(N)nc1N)C(C)C ZINC000638734399 375328073 /nfs/dbraw/zinc/32/80/73/375328073.db2.gz LLZDPWACSFELRX-UHFFFAOYSA-N 2 2 280.420 0.900 20 0 CCADLP COCCC[N@H+](C)CC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000638709791 375314351 /nfs/dbraw/zinc/31/43/51/375314351.db2.gz LAXVVYHEBUTWIQ-GFCCVEGCSA-N 2 2 257.378 0.213 20 0 CCADLP COCCC[N@@H+](C)CC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000638709791 375314356 /nfs/dbraw/zinc/31/43/56/375314356.db2.gz LAXVVYHEBUTWIQ-GFCCVEGCSA-N 2 2 257.378 0.213 20 0 CCADLP C[NH+](C)[C@]1(C[NH2+][C@H]2CCCNC(=O)C2)CCSC1 ZINC000638719865 375319000 /nfs/dbraw/zinc/31/90/00/375319000.db2.gz HDVQXPVCZVCUJT-AAEUAGOBSA-N 2 2 271.430 0.682 20 0 CCADLP [NH3+]CCCOCCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000638660735 375263304 /nfs/dbraw/zinc/26/33/04/375263304.db2.gz IVEKKHOEHGLPMV-UHFFFAOYSA-N 2 2 276.340 0.358 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@H]1CC[NH2+][C@H]1C)CC2 ZINC000638765454 375342105 /nfs/dbraw/zinc/34/21/05/375342105.db2.gz IIDDHNXJCLXZBN-SDDRHHMPSA-N 2 2 262.357 0.621 20 0 CCADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000638931832 375468611 /nfs/dbraw/zinc/46/86/11/375468611.db2.gz OYTZAUJJGMBCHL-QWRGUYRKSA-N 2 2 271.324 0.829 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000638846276 375403112 /nfs/dbraw/zinc/40/31/12/375403112.db2.gz SJNCGWRSAIULOE-OAHLLOKOSA-N 3 2 290.411 0.228 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC[C@@H]1CNc2ccccc21 ZINC000638872197 375417765 /nfs/dbraw/zinc/41/77/65/375417765.db2.gz GFYBDYLTWFHATE-TZMCWYRMSA-N 2 2 290.411 0.981 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1C[C@@H](C)[C@@H](C[NH3+])C1)CC2 ZINC000638900269 375438500 /nfs/dbraw/zinc/43/85/00/375438500.db2.gz GUZPVNFZLVFSNV-RTXFEEFZSA-N 2 2 276.384 0.807 20 0 CCADLP Cc1cccn2cc(CC(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)[nH+]c12 ZINC000638914509 375449956 /nfs/dbraw/zinc/44/99/56/375449956.db2.gz SUPLZUOWCHGHDT-AAEUAGOBSA-N 2 2 270.336 0.758 20 0 CCADLP [NH3+][C@@H](C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)c1c(F)cccc1F ZINC000638914271 375450008 /nfs/dbraw/zinc/45/00/08/375450008.db2.gz BOMKBJZUMJIEKC-YVZVNANGSA-N 2 2 267.279 0.537 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1noc2c1CCCC2 ZINC000639034041 375537795 /nfs/dbraw/zinc/53/77/95/375537795.db2.gz XXMHRGOHKMMQRO-NSHDSACASA-N 2 2 280.372 0.449 20 0 CCADLP C[C@@H](C[NH3+])C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000638991244 375504991 /nfs/dbraw/zinc/50/49/91/375504991.db2.gz XXJUYUQAQVBRTA-NSHDSACASA-N 2 2 294.424 0.846 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)[nH+]1 ZINC000639001120 375511350 /nfs/dbraw/zinc/51/13/50/375511350.db2.gz GVIJRJVBADYMNN-YGRLFVJLSA-N 2 2 262.357 0.773 20 0 CCADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cnc(N)nc2N)C1 ZINC000639177760 375621506 /nfs/dbraw/zinc/62/15/06/375621506.db2.gz FZPAKFVDWXYDIU-JQWIXIFHSA-N 2 2 276.388 0.218 20 0 CCADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cnc(N)nc2N)C1 ZINC000639177760 375621508 /nfs/dbraw/zinc/62/15/08/375621508.db2.gz FZPAKFVDWXYDIU-JQWIXIFHSA-N 2 2 276.388 0.218 20 0 CCADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cnc(N)nc2N)C1 ZINC000639177760 375621511 /nfs/dbraw/zinc/62/15/11/375621511.db2.gz FZPAKFVDWXYDIU-JQWIXIFHSA-N 2 2 276.388 0.218 20 0 CCADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cnc(N)nc2N)C1 ZINC000639177760 375621513 /nfs/dbraw/zinc/62/15/13/375621513.db2.gz FZPAKFVDWXYDIU-JQWIXIFHSA-N 2 2 276.388 0.218 20 0 CCADLP C[C@@H](Cc1cnccn1)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000639218912 375642206 /nfs/dbraw/zinc/64/22/06/375642206.db2.gz QDNWICNSORDOPB-DZGCQCFKSA-N 2 2 278.400 0.844 20 0 CCADLP C[C@@H](Cc1cnccn1)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000639218912 375642211 /nfs/dbraw/zinc/64/22/11/375642211.db2.gz QDNWICNSORDOPB-DZGCQCFKSA-N 2 2 278.400 0.844 20 0 CCADLP Cc1cccc2[nH+]cc(CN3CC[N@@H+](C)C[C@H]3CO)n21 ZINC000639335938 375735085 /nfs/dbraw/zinc/73/50/85/375735085.db2.gz BXAMSDBDOQDUDQ-AWEZNQCLSA-N 2 2 274.368 0.751 20 0 CCADLP Cc1cccc2[nH+]cc(CN3CC[N@H+](C)C[C@H]3CO)n21 ZINC000639335938 375735093 /nfs/dbraw/zinc/73/50/93/375735093.db2.gz BXAMSDBDOQDUDQ-AWEZNQCLSA-N 2 2 274.368 0.751 20 0 CCADLP Nc1ncc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(N)n1 ZINC000639338259 375742962 /nfs/dbraw/zinc/74/29/62/375742962.db2.gz SEKCDKKAKKCMMY-LBPRGKRZSA-N 2 2 290.415 0.513 20 0 CCADLP Nc1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(N)n1 ZINC000639338259 375742967 /nfs/dbraw/zinc/74/29/67/375742967.db2.gz SEKCDKKAKKCMMY-LBPRGKRZSA-N 2 2 290.415 0.513 20 0 CCADLP O=C1C[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCCN1 ZINC000639328943 375728260 /nfs/dbraw/zinc/72/82/60/375728260.db2.gz USLRRCZIADZREO-KBPBESRZSA-N 2 2 281.400 0.498 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000639432800 375779599 /nfs/dbraw/zinc/77/95/99/375779599.db2.gz BVEBPZOZCJOYHC-UHFFFAOYSA-N 2 2 262.357 0.517 20 0 CCADLP C[C@@H]1OCC[C@H]1C[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000639480157 375800495 /nfs/dbraw/zinc/80/04/95/375800495.db2.gz FRSOAUUUPZTTMT-KBPBESRZSA-N 2 2 278.400 0.963 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC000639543789 375828644 /nfs/dbraw/zinc/82/86/44/375828644.db2.gz QCJIWJSUBYZYOM-LBPRGKRZSA-N 2 2 287.371 0.321 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000639552684 375833080 /nfs/dbraw/zinc/83/30/80/375833080.db2.gz FVIBZKPMYFLRLX-OCCSQVGLSA-N 2 2 276.384 0.953 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000639552684 375833087 /nfs/dbraw/zinc/83/30/87/375833087.db2.gz FVIBZKPMYFLRLX-OCCSQVGLSA-N 2 2 276.384 0.953 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000656701212 412843612 /nfs/dbraw/zinc/84/36/12/412843612.db2.gz QXPARWWZRALZRB-CQSZACIVSA-N 2 2 298.431 0.177 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000656701212 412843615 /nfs/dbraw/zinc/84/36/15/412843615.db2.gz QXPARWWZRALZRB-CQSZACIVSA-N 2 2 298.431 0.177 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@@H]1CS(C)(=O)=O ZINC000639664147 375898140 /nfs/dbraw/zinc/89/81/40/375898140.db2.gz GMZZYIJLTAVSJF-CYBMUJFWSA-N 2 2 285.413 0.862 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@@H]1CS(C)(=O)=O ZINC000639664147 375898147 /nfs/dbraw/zinc/89/81/47/375898147.db2.gz GMZZYIJLTAVSJF-CYBMUJFWSA-N 2 2 285.413 0.862 20 0 CCADLP CN(C)C(=O)[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000639672687 375903490 /nfs/dbraw/zinc/90/34/90/375903490.db2.gz DHKILVZUVAFOKI-LLVKDONJSA-N 2 2 250.346 0.373 20 0 CCADLP CN(C)C(=O)[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000639672687 375903494 /nfs/dbraw/zinc/90/34/94/375903494.db2.gz DHKILVZUVAFOKI-LLVKDONJSA-N 2 2 250.346 0.373 20 0 CCADLP CC[N@H+]1[C@H](C)CN(CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000639743476 375971864 /nfs/dbraw/zinc/97/18/64/375971864.db2.gz NXQNEWXTQFZAON-GASCZTMLSA-N 2 2 296.459 0.565 20 0 CCADLP CC[N@@H+]1[C@H](C)CN(CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000639743476 375971873 /nfs/dbraw/zinc/97/18/73/375971873.db2.gz NXQNEWXTQFZAON-GASCZTMLSA-N 2 2 296.459 0.565 20 0 CCADLP CCN1[C@H](C)C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000639743476 375971877 /nfs/dbraw/zinc/97/18/77/375971877.db2.gz NXQNEWXTQFZAON-GASCZTMLSA-N 2 2 296.459 0.565 20 0 CCADLP CCN1[C@H](C)C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000639743476 375971883 /nfs/dbraw/zinc/97/18/83/375971883.db2.gz NXQNEWXTQFZAON-GASCZTMLSA-N 2 2 296.459 0.565 20 0 CCADLP O[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC000639681509 375912853 /nfs/dbraw/zinc/91/28/53/375912853.db2.gz QMRUMUHVOJBSIB-FQUUOJAGSA-N 2 2 291.399 0.343 20 0 CCADLP O[C@H]1CC[N@H+]([C@H]2CCC[C@H]2[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC000639681509 375912859 /nfs/dbraw/zinc/91/28/59/375912859.db2.gz QMRUMUHVOJBSIB-FQUUOJAGSA-N 2 2 291.399 0.343 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000639765897 375996398 /nfs/dbraw/zinc/99/63/98/375996398.db2.gz JFSFOBTVPLNOGE-LSDHHAIUSA-N 3 2 269.433 0.859 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000639765897 375996400 /nfs/dbraw/zinc/99/64/00/375996400.db2.gz JFSFOBTVPLNOGE-LSDHHAIUSA-N 3 2 269.433 0.859 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000639765897 375996403 /nfs/dbraw/zinc/99/64/03/375996403.db2.gz JFSFOBTVPLNOGE-LSDHHAIUSA-N 3 2 269.433 0.859 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000639765897 375996406 /nfs/dbraw/zinc/99/64/06/375996406.db2.gz JFSFOBTVPLNOGE-LSDHHAIUSA-N 3 2 269.433 0.859 20 0 CCADLP Cn1cc(C2=CCC[N@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)cn1 ZINC000639796864 376015174 /nfs/dbraw/zinc/01/51/74/376015174.db2.gz XIDIUOHPTXUGJG-INIZCTEOSA-N 2 2 290.411 0.964 20 0 CCADLP Cn1cc(C2=CCC[N@@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)cn1 ZINC000639796864 376015180 /nfs/dbraw/zinc/01/51/80/376015180.db2.gz XIDIUOHPTXUGJG-INIZCTEOSA-N 2 2 290.411 0.964 20 0 CCADLP Cn1cc(C2=CCC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)C2)cn1 ZINC000639796864 376015184 /nfs/dbraw/zinc/01/51/84/376015184.db2.gz XIDIUOHPTXUGJG-INIZCTEOSA-N 2 2 290.411 0.964 20 0 CCADLP Cn1cc(C2=CCC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)C2)cn1 ZINC000639796864 376015190 /nfs/dbraw/zinc/01/51/90/376015190.db2.gz XIDIUOHPTXUGJG-INIZCTEOSA-N 2 2 290.411 0.964 20 0 CCADLP C[C@H](c1cnccn1)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761696 375987292 /nfs/dbraw/zinc/98/72/92/375987292.db2.gz CZMOJRIHOBBBBB-TZMCWYRMSA-N 2 2 264.373 0.926 20 0 CCADLP C[C@H](c1cnccn1)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761696 375987300 /nfs/dbraw/zinc/98/73/00/375987300.db2.gz CZMOJRIHOBBBBB-TZMCWYRMSA-N 2 2 264.373 0.926 20 0 CCADLP CC(C)N1CCC[C@@H]([N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)C1=O ZINC000639761900 375987895 /nfs/dbraw/zinc/98/78/95/375987895.db2.gz PBCRDOXDRXSSDR-ZBFHGGJFSA-N 2 2 297.443 0.774 20 0 CCADLP CC(C)N1CCC[C@@H]([N@H+]2CCC[C@](O)(C[NH+](C)C)C2)C1=O ZINC000639761900 375987900 /nfs/dbraw/zinc/98/79/00/375987900.db2.gz PBCRDOXDRXSSDR-ZBFHGGJFSA-N 2 2 297.443 0.774 20 0 CCADLP Cc1cccn2cc(CNC(=O)[C@@H]3CC[C@H](C[NH3+])O3)[nH+]c12 ZINC000261891350 190045686 /nfs/dbraw/zinc/04/56/86/190045686.db2.gz VOJWHPSAHKACBU-OLZOCXBDSA-N 2 2 288.351 0.765 20 0 CCADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000262289268 190051957 /nfs/dbraw/zinc/05/19/57/190051957.db2.gz OMVOQPVENIHITJ-MFKMUULPSA-N 2 2 287.323 0.583 20 0 CCADLP C[NH2+][C@@H](C(=O)Nc1cc[nH+]c(N(C)C)c1)c1cnn(C)c1 ZINC000262354261 190053581 /nfs/dbraw/zinc/05/35/81/190053581.db2.gz JNDOXOVSJZRDIG-CYBMUJFWSA-N 2 2 288.355 0.780 20 0 CCADLP C[C@@H](C[NH3+])C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000262344157 190053646 /nfs/dbraw/zinc/05/36/46/190053646.db2.gz FUTGMVCDKQBECD-NSHDSACASA-N 2 2 262.357 0.893 20 0 CCADLP C[C@H](C[NH3+])C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000262580244 190058012 /nfs/dbraw/zinc/05/80/12/190058012.db2.gz UIVVBOBYSOUKHF-HIFRSBDPSA-N 2 2 291.395 0.771 20 0 CCADLP CN1c2ccccc2C[C@H]([NH2+]C2CC[NH2+]CC2)C1=O ZINC000656787239 412851274 /nfs/dbraw/zinc/85/12/74/412851274.db2.gz HSMVYKRTVUAXER-ZDUSSCGKSA-N 2 2 259.353 0.916 20 0 CCADLP C[C@@H](CC[NH3+])NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000568982716 291638797 /nfs/dbraw/zinc/63/87/97/291638797.db2.gz MMZCQCGHOOWIAW-VIFPVBQESA-N 2 2 263.332 0.817 20 0 CCADLP CN(C)c1cc(NC(=O)NC[C@H]2COCC[N@@H+]2C)cc[nH+]1 ZINC000640598368 376451327 /nfs/dbraw/zinc/45/13/27/376451327.db2.gz PLCXZBJIVGWRES-LBPRGKRZSA-N 2 2 293.371 0.600 20 0 CCADLP CN(C)c1cc(NC(=O)NC[C@H]2COCC[N@H+]2C)cc[nH+]1 ZINC000640598368 376451338 /nfs/dbraw/zinc/45/13/38/376451338.db2.gz PLCXZBJIVGWRES-LBPRGKRZSA-N 2 2 293.371 0.600 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C(C)(C)C ZINC000640629196 376474786 /nfs/dbraw/zinc/47/47/86/376474786.db2.gz UDOUMFBDCYACHM-STQMWFEESA-N 2 2 283.416 0.506 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C(C)(C)C ZINC000640629196 376474788 /nfs/dbraw/zinc/47/47/88/376474788.db2.gz UDOUMFBDCYACHM-STQMWFEESA-N 2 2 283.416 0.506 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CC[N@H+](C)[C@H](C(C)(C)C)C2)C1 ZINC000640629196 376474792 /nfs/dbraw/zinc/47/47/92/376474792.db2.gz UDOUMFBDCYACHM-STQMWFEESA-N 2 2 283.416 0.506 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)C1 ZINC000640629196 376474795 /nfs/dbraw/zinc/47/47/95/376474795.db2.gz UDOUMFBDCYACHM-STQMWFEESA-N 2 2 283.416 0.506 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)CC2 ZINC000640923911 376617684 /nfs/dbraw/zinc/61/76/84/376617684.db2.gz SYKNYNTTZYFXAS-ZYHUDNBSSA-N 2 2 277.372 0.715 20 0 CCADLP Cc1[nH+]ccn1CCn1cc(CN2CC[NH+](C)CC2)nn1 ZINC000640985595 376648857 /nfs/dbraw/zinc/64/88/57/376648857.db2.gz KCGLFTQIYHORSX-UHFFFAOYSA-N 2 2 289.387 0.231 20 0 CCADLP COc1cc[nH+]c(Cn2cc(CC[NH+](C)C)nn2)c1 ZINC000641030770 376687391 /nfs/dbraw/zinc/68/73/91/376687391.db2.gz JLOKSFWZCSFDFN-UHFFFAOYSA-N 2 2 261.329 0.834 20 0 CCADLP CC(C)(C)[C@@H]([NH3+])c1cn(CC[NH+]2CCOCC2)nn1 ZINC000641033885 376691690 /nfs/dbraw/zinc/69/16/90/376691690.db2.gz PQNZCQOSHJTOCZ-LBPRGKRZSA-N 2 2 267.377 0.656 20 0 CCADLP Cc1cc[nH+]cc1Cn1cc(CN2CC[NH2+]CC2)nn1 ZINC000641070854 376738387 /nfs/dbraw/zinc/73/83/87/376738387.db2.gz PIDHLKQYOUYDSI-UHFFFAOYSA-N 2 2 272.356 0.435 20 0 CCADLP CC(C)[N@@H+]1CCCC[C@@H]1Cn1cc(C[NH+](C)CCO)nn1 ZINC000641169126 376839032 /nfs/dbraw/zinc/83/90/32/376839032.db2.gz KJXKIBGKLLNAOB-OAHLLOKOSA-N 2 2 295.431 0.965 20 0 CCADLP CC(C)[N@H+]1CCCC[C@@H]1Cn1cc(C[NH+](C)CCO)nn1 ZINC000641169126 376839038 /nfs/dbraw/zinc/83/90/38/376839038.db2.gz KJXKIBGKLLNAOB-OAHLLOKOSA-N 2 2 295.431 0.965 20 0 CCADLP CC(C)[NH+]1CCCC[C@@H]1Cn1cc(C[N@H+](C)CCO)nn1 ZINC000641169126 376839049 /nfs/dbraw/zinc/83/90/49/376839049.db2.gz KJXKIBGKLLNAOB-OAHLLOKOSA-N 2 2 295.431 0.965 20 0 CCADLP CC(C)[NH+]1CCCC[C@@H]1Cn1cc(C[N@@H+](C)CCO)nn1 ZINC000641169126 376839055 /nfs/dbraw/zinc/83/90/55/376839055.db2.gz KJXKIBGKLLNAOB-OAHLLOKOSA-N 2 2 295.431 0.965 20 0 CCADLP COCC[C@H]([NH3+])Cc1cn(Cc2c[nH+]ccc2OC)nn1 ZINC000641169516 376839626 /nfs/dbraw/zinc/83/96/26/376839626.db2.gz ZMDDOAVDJHZXBO-LBPRGKRZSA-N 2 2 291.355 0.636 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC[NH+]1CCSCC1 ZINC000264841401 190138488 /nfs/dbraw/zinc/13/84/88/190138488.db2.gz JZPWLYFJNULKNN-GFCCVEGCSA-N 2 2 297.428 0.620 20 0 CCADLP COCC[NH+]1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000264924763 190144960 /nfs/dbraw/zinc/14/49/60/190144960.db2.gz LJCAHDZMHFJEHC-UHFFFAOYSA-N 2 2 266.345 0.064 20 0 CCADLP c1cc(NC[C@H]2CSCC[NH2+]2)nc(C2CC2)[nH+]1 ZINC000641686981 377388977 /nfs/dbraw/zinc/38/89/77/377388977.db2.gz GKHMGQKWKJAWKU-JTQLQIEISA-N 2 2 250.371 0.893 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)NCc1[nH]cc(C)[nH+]1 ZINC000641770302 377453556 /nfs/dbraw/zinc/45/35/56/377453556.db2.gz MOWKDRBASCZHEU-GFCCVEGCSA-N 2 2 254.378 0.901 20 0 CCADLP C[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)s1)C[NH+](C)C ZINC000641757124 377445297 /nfs/dbraw/zinc/44/52/97/377445297.db2.gz UDLZYFQORCOWRY-VIFPVBQESA-N 2 2 291.442 0.683 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1cnn(C)c1 ZINC000641773228 377456121 /nfs/dbraw/zinc/45/61/21/377456121.db2.gz WVHJUNFZWGOIKG-CYBMUJFWSA-N 2 2 254.378 0.603 20 0 CCADLP CCOC[C@@H](C)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641786241 377464575 /nfs/dbraw/zinc/46/45/75/377464575.db2.gz JPPZLBXOQXFAAU-HZPDHXFCSA-N 2 2 299.459 0.798 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCCS(=O)(=O)N(C)C)[C@H]1C ZINC000641804888 377476388 /nfs/dbraw/zinc/47/63/88/377476388.db2.gz CXJGRUWZPATYRF-FRRDWIJNSA-N 2 2 291.461 0.716 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCCS(=O)(=O)N(C)C)[C@H]1C ZINC000641804888 377476398 /nfs/dbraw/zinc/47/63/98/377476398.db2.gz CXJGRUWZPATYRF-FRRDWIJNSA-N 2 2 291.461 0.716 20 0 CCADLP CCO[C@@H]1C[C@@H]([NH2+]CC[N@H+](CC)CCO)[C@H]1SC ZINC000459541414 249042406 /nfs/dbraw/zinc/04/24/06/249042406.db2.gz WIELMOAPYGLZPE-JHJVBQTASA-N 2 2 276.446 0.799 20 0 CCADLP CCO[C@@H]1C[C@@H]([NH2+]CC[N@@H+](CC)CCO)[C@H]1SC ZINC000459541414 249042409 /nfs/dbraw/zinc/04/24/09/249042409.db2.gz WIELMOAPYGLZPE-JHJVBQTASA-N 2 2 276.446 0.799 20 0 CCADLP C[C@@H]1CN(c2nc[nH+]c3c2OCCN3)[C@@H](C)C[N@@H+]1CCO ZINC000642302675 377555179 /nfs/dbraw/zinc/55/51/79/377555179.db2.gz RMLAYPVOKSPADB-MNOVXSKESA-N 2 2 293.371 0.172 20 0 CCADLP C[C@@H]1CN(c2nc[nH+]c3c2OCCN3)[C@@H](C)C[N@H+]1CCO ZINC000642302675 377555190 /nfs/dbraw/zinc/55/51/90/377555190.db2.gz RMLAYPVOKSPADB-MNOVXSKESA-N 2 2 293.371 0.172 20 0 CCADLP Cc1nc2n(n1)C[C@H]([NH2+]Cc1c[nH+]c(C)n1C)CC2 ZINC000515673271 249143192 /nfs/dbraw/zinc/14/31/92/249143192.db2.gz SITMZHZOLHBJKS-LLVKDONJSA-N 2 2 260.345 0.733 20 0 CCADLP [NH3+]C1(C(=O)NCCc2cn3ccccc3[nH+]2)CCC1 ZINC000518178979 249241660 /nfs/dbraw/zinc/24/16/60/249241660.db2.gz IAGYHWYNWYGPIO-UHFFFAOYSA-N 2 2 258.325 0.874 20 0 CCADLP COCC(C)(C)[NH+]1CCN(C(=O)[C@H](C)[NH+]2CC(C)C2)CC1 ZINC000518215132 249242788 /nfs/dbraw/zinc/24/27/88/249242788.db2.gz MTRZMDANVZIDSZ-AWEZNQCLSA-N 2 2 297.443 0.896 20 0 CCADLP CC[C@@H](C)CS(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000657090600 412886099 /nfs/dbraw/zinc/88/60/99/412886099.db2.gz DPNPLDGDHKHLRF-CYBMUJFWSA-N 2 2 293.477 0.835 20 0 CCADLP CC[C@@H](C)CS(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000657090600 412886102 /nfs/dbraw/zinc/88/61/02/412886102.db2.gz DPNPLDGDHKHLRF-CYBMUJFWSA-N 2 2 293.477 0.835 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccnn1C ZINC000278752942 194138161 /nfs/dbraw/zinc/13/81/61/194138161.db2.gz NXXAPXCTBLSSHN-AAEUAGOBSA-N 2 2 279.388 0.411 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccnn1C ZINC000278752942 194138164 /nfs/dbraw/zinc/13/81/64/194138164.db2.gz NXXAPXCTBLSSHN-AAEUAGOBSA-N 2 2 279.388 0.411 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(Cc2cc(OC)cc[nH+]2)CC1 ZINC000266585122 190268696 /nfs/dbraw/zinc/26/86/96/190268696.db2.gz KAWHFCVSXAGNTP-CQSZACIVSA-N 2 2 279.384 0.979 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2cccnc2)CC1 ZINC000267246356 190314756 /nfs/dbraw/zinc/31/47/56/190314756.db2.gz LPXSQNUTIJSBJL-UHFFFAOYSA-N 2 2 290.411 0.766 20 0 CCADLP CC[C@H](COC)[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000570391333 291752924 /nfs/dbraw/zinc/75/29/24/291752924.db2.gz XPWFZPVVJKSRLZ-SYQHCUMBSA-N 2 2 274.405 0.471 20 0 CCADLP CC[N@@H+]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC000288465751 197085682 /nfs/dbraw/zinc/08/56/82/197085682.db2.gz OMQVFVOSTBWJDW-SNVBAGLBSA-N 2 2 250.346 0.813 20 0 CCADLP CC[N@H+]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC000288465751 197085683 /nfs/dbraw/zinc/08/56/83/197085683.db2.gz OMQVFVOSTBWJDW-SNVBAGLBSA-N 2 2 250.346 0.813 20 0 CCADLP C[C@H](CC(=O)NCC1([NH+]2CCOCC2)CC1)n1cc[nH+]c1 ZINC000571093942 291791088 /nfs/dbraw/zinc/79/10/88/291791088.db2.gz HECYGRKKTQIKCR-CYBMUJFWSA-N 2 2 292.383 0.815 20 0 CCADLP CCCNC(=O)CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657323338 412961787 /nfs/dbraw/zinc/96/17/87/412961787.db2.gz BNSOQMMGDNRKTO-UHFFFAOYSA-N 2 2 250.346 0.835 20 0 CCADLP O=C1O[C@@]2(CN1C[NH+]1CCSCC1)C[NH+]1CCC2CC1 ZINC000496508797 284965365 /nfs/dbraw/zinc/96/53/65/284965365.db2.gz SUCGXNVGUJFAIA-CQSZACIVSA-N 2 2 297.424 0.909 20 0 CCADLP C[C@H](C[NH2+]Cc1c[nH+]c2n1CCC2)CN1CC[NH+](C)CC1 ZINC000657346406 412965157 /nfs/dbraw/zinc/96/51/57/412965157.db2.gz HBAVZNVSMSTYSH-CQSZACIVSA-N 3 2 291.443 0.802 20 0 CCADLP C[C@@H]([NH3+])CCC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000423868386 532952316 /nfs/dbraw/zinc/95/23/16/532952316.db2.gz NKEBHKOVYFXGLA-OCCSQVGLSA-N 2 2 283.416 0.683 20 0 CCADLP C[C@@H]([NH3+])CCC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000423868386 532952319 /nfs/dbraw/zinc/95/23/19/532952319.db2.gz NKEBHKOVYFXGLA-OCCSQVGLSA-N 2 2 283.416 0.683 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)[C@H](C)[NH2+]C2CC2)C[C@H]1C ZINC000449126490 532957343 /nfs/dbraw/zinc/95/73/43/532957343.db2.gz MBOOKSURWCFRLH-NEPJUHHUSA-N 2 2 269.389 0.306 20 0 CCADLP COCC[N@H+]1CCN(C(=O)[C@H](C)[NH2+]C2CC2)C[C@H]1C ZINC000449126490 532957345 /nfs/dbraw/zinc/95/73/45/532957345.db2.gz MBOOKSURWCFRLH-NEPJUHHUSA-N 2 2 269.389 0.306 20 0 CCADLP CC[NH2+]CCCNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000574784051 335047314 /nfs/dbraw/zinc/04/73/14/335047314.db2.gz MPOYPELJUZGMMK-LBPRGKRZSA-N 2 2 272.393 0.006 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246221691 285010660 /nfs/dbraw/zinc/01/06/60/285010660.db2.gz BINYDAWHUFXAMD-SRVKXCTJSA-N 2 2 284.404 0.635 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246221691 285010664 /nfs/dbraw/zinc/01/06/64/285010664.db2.gz BINYDAWHUFXAMD-SRVKXCTJSA-N 2 2 284.404 0.635 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246221691 285010666 /nfs/dbraw/zinc/01/06/66/285010666.db2.gz BINYDAWHUFXAMD-SRVKXCTJSA-N 2 2 284.404 0.635 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246221691 285010669 /nfs/dbraw/zinc/01/06/69/285010669.db2.gz BINYDAWHUFXAMD-SRVKXCTJSA-N 2 2 284.404 0.635 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000571538123 291821241 /nfs/dbraw/zinc/82/12/41/291821241.db2.gz PHDKOSHDPWCNKX-LLVKDONJSA-N 2 2 293.371 0.226 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCOCC2)[C@@H](C)C1 ZINC000247261471 285046200 /nfs/dbraw/zinc/04/62/00/285046200.db2.gz VKGUBMAJZAZGGC-KBPBESRZSA-N 2 2 283.416 0.507 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCOCC2)[C@@H](C)C1 ZINC000247261471 285046201 /nfs/dbraw/zinc/04/62/01/285046201.db2.gz VKGUBMAJZAZGGC-KBPBESRZSA-N 2 2 283.416 0.507 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCOCC2)[C@@H](C)C1 ZINC000247261471 285046202 /nfs/dbraw/zinc/04/62/02/285046202.db2.gz VKGUBMAJZAZGGC-KBPBESRZSA-N 2 2 283.416 0.507 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCOCC2)[C@@H](C)C1 ZINC000247261471 285046203 /nfs/dbraw/zinc/04/62/03/285046203.db2.gz VKGUBMAJZAZGGC-KBPBESRZSA-N 2 2 283.416 0.507 20 0 CCADLP CNC(=O)[C@@]1(C)CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000281065156 195089996 /nfs/dbraw/zinc/08/99/96/195089996.db2.gz KHKGBIPLYFZNMG-ZDUSSCGKSA-N 2 2 250.346 0.731 20 0 CCADLP CNC(=O)[C@@]1(C)CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000281065156 195089999 /nfs/dbraw/zinc/08/99/99/195089999.db2.gz KHKGBIPLYFZNMG-ZDUSSCGKSA-N 2 2 250.346 0.731 20 0 CCADLP O=C1NCCCC[C@H]1[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000120218112 296366438 /nfs/dbraw/zinc/36/64/38/296366438.db2.gz XXOYYCUGJKFFPT-HUUCEWRRSA-N 2 2 295.427 0.699 20 0 CCADLP O=C1NCCCC[C@H]1[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000120218112 296366440 /nfs/dbraw/zinc/36/64/40/296366440.db2.gz XXOYYCUGJKFFPT-HUUCEWRRSA-N 2 2 295.427 0.699 20 0 CCADLP O=C1NCCC[C@@H]1[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000336724395 296368845 /nfs/dbraw/zinc/36/88/45/296368845.db2.gz JNFLKMNECKFIES-ZDUSSCGKSA-N 2 2 251.374 0.825 20 0 CCADLP COc1ccnc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)n1 ZINC000424376687 533055533 /nfs/dbraw/zinc/05/55/33/533055533.db2.gz LSNYTOSNZBDUBB-YNEHKIRRSA-N 2 2 292.383 0.732 20 0 CCADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657420787 412984764 /nfs/dbraw/zinc/98/47/64/412984764.db2.gz ABCJVXLRVZDSFC-NEPJUHHUSA-N 2 2 262.357 0.834 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000418207273 533076111 /nfs/dbraw/zinc/07/61/11/533076111.db2.gz BLUYNDWOJQPPRB-UHFFFAOYSA-N 2 2 278.356 0.984 20 0 CCADLP CCOCCOC[C@@H](O)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657446804 412992747 /nfs/dbraw/zinc/99/27/47/412992747.db2.gz MAEOJWZHDCBEAX-ZDUSSCGKSA-N 2 2 283.372 0.333 20 0 CCADLP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)cc1F ZINC000259016802 285153905 /nfs/dbraw/zinc/15/39/05/285153905.db2.gz YBHXJFYEPPOVCV-NSHDSACASA-N 2 2 254.305 0.912 20 0 CCADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000574853935 335052225 /nfs/dbraw/zinc/05/22/25/335052225.db2.gz ZYTNGZUMNXHOPM-AWEZNQCLSA-N 2 2 294.399 0.842 20 0 CCADLP COC(=O)C(C)(C)CC[NH2+]CC[NH+]1CCC(O)CC1 ZINC000449649461 533130075 /nfs/dbraw/zinc/13/00/75/533130075.db2.gz WNAILFZAEGDGAC-UHFFFAOYSA-N 2 2 272.389 0.622 20 0 CCADLP C[C@@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)[C@H](C)[NH3+] ZINC000418724908 533134713 /nfs/dbraw/zinc/13/47/13/533134713.db2.gz NOECZNJICJVZLD-DMDPSCGWSA-N 2 2 278.356 0.980 20 0 CCADLP O=C1C[C@@H](C[NH2+]Cc2c[nH+]c3n2CCC3)CN1C1CC1 ZINC000657502919 413011600 /nfs/dbraw/zinc/01/16/00/413011600.db2.gz XCBUZOVPQUEJSQ-NSHDSACASA-N 2 2 274.368 0.930 20 0 CCADLP CCO[C@H](CC[NH+](C)C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000288086681 197001104 /nfs/dbraw/zinc/00/11/04/197001104.db2.gz WFDYEHXVDHHCMA-GFCCVEGCSA-N 2 2 282.388 0.815 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1ccon1 ZINC000525311456 285315838 /nfs/dbraw/zinc/31/58/38/285315838.db2.gz HCELXFSNJAWCIV-UHFFFAOYSA-N 2 2 294.399 0.702 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1ccon1 ZINC000525311456 285315846 /nfs/dbraw/zinc/31/58/46/285315846.db2.gz HCELXFSNJAWCIV-UHFFFAOYSA-N 2 2 294.399 0.702 20 0 CCADLP CCN1CC[NH+](CCC(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)CC1 ZINC000356836235 285315388 /nfs/dbraw/zinc/31/53/88/285315388.db2.gz CPKRMEGGOUZAQX-HUUCEWRRSA-N 2 2 296.459 0.565 20 0 CCADLP CCN1CC[NH+](CCC(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)CC1 ZINC000356836235 285315391 /nfs/dbraw/zinc/31/53/91/285315391.db2.gz CPKRMEGGOUZAQX-HUUCEWRRSA-N 2 2 296.459 0.565 20 0 CCADLP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccn[nH]1 ZINC000185875112 388817179 /nfs/dbraw/zinc/81/71/79/388817179.db2.gz SJOYVTYBYBKDPT-LBPRGKRZSA-N 2 2 251.378 0.525 20 0 CCADLP C[NH2+]CCC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000286024715 388826930 /nfs/dbraw/zinc/82/69/30/388826930.db2.gz JYJCPTBQZYVBRF-ZDUSSCGKSA-N 2 2 276.384 0.896 20 0 CCADLP CC(C)C[C@@H](CNC(=O)[C@@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000040430591 388852291 /nfs/dbraw/zinc/85/22/91/388852291.db2.gz XFTKPXFDRCHYIB-KBPBESRZSA-N 2 2 283.416 0.602 20 0 CCADLP CCNC(=O)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000037262428 388846434 /nfs/dbraw/zinc/84/64/34/388846434.db2.gz ORTWNBFHKIBUGQ-UHFFFAOYSA-N 2 2 262.357 0.776 20 0 CCADLP CC[C@@]1(CO)CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000187593204 388887869 /nfs/dbraw/zinc/88/78/69/388887869.db2.gz XRHHPWUOCMLWNZ-OAHLLOKOSA-N 2 2 283.416 0.245 20 0 CCADLP CC[C@@]1(CO)CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000187593204 388887872 /nfs/dbraw/zinc/88/78/72/388887872.db2.gz XRHHPWUOCMLWNZ-OAHLLOKOSA-N 2 2 283.416 0.245 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCO)[C@H](C)C1 ZINC000187295672 388875399 /nfs/dbraw/zinc/87/53/99/388875399.db2.gz RPSMIWYKHLFNHF-KGLIPLIRSA-N 2 2 283.416 0.386 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCO)[C@H](C)C1 ZINC000187295672 388875402 /nfs/dbraw/zinc/87/54/02/388875402.db2.gz RPSMIWYKHLFNHF-KGLIPLIRSA-N 2 2 283.416 0.386 20 0 CCADLP CC[NH+]1CCCC[C@H]1C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000187295672 388875403 /nfs/dbraw/zinc/87/54/03/388875403.db2.gz RPSMIWYKHLFNHF-KGLIPLIRSA-N 2 2 283.416 0.386 20 0 CCADLP CC[NH+]1CCCC[C@H]1C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000187295672 388875406 /nfs/dbraw/zinc/87/54/06/388875406.db2.gz RPSMIWYKHLFNHF-KGLIPLIRSA-N 2 2 283.416 0.386 20 0 CCADLP C[C@@H]1C[NH+](CCCNC(=O)c2coc(C[NH3+])c2)C[C@@H](C)O1 ZINC000188052771 388910822 /nfs/dbraw/zinc/91/08/22/388910822.db2.gz UIBXAABFRHQEAI-VXGBXAGGSA-N 2 2 295.383 0.967 20 0 CCADLP C[C@@H](CNC(=O)c1c[nH+]ccc1N)C[NH+]1CCOCC1 ZINC000188142178 388915642 /nfs/dbraw/zinc/91/56/42/388915642.db2.gz ORPCEJIOPVIOLU-NSHDSACASA-N 2 2 278.356 0.362 20 0 CCADLP CC[C@H]1CN(C(=O)c2c[nH+]ccc2N)CC[N@@H+]1C[C@@H](C)O ZINC000188187437 388916876 /nfs/dbraw/zinc/91/68/76/388916876.db2.gz UWAWLNURGWLARW-NEPJUHHUSA-N 2 2 292.383 0.581 20 0 CCADLP CC[C@H]1CN(C(=O)c2c[nH+]ccc2N)CC[N@H+]1C[C@@H](C)O ZINC000188187437 388916877 /nfs/dbraw/zinc/91/68/77/388916877.db2.gz UWAWLNURGWLARW-NEPJUHHUSA-N 2 2 292.383 0.581 20 0 CCADLP COCC[N@H+](C)CC[NH2+][C@@H](COC)C1CCOCC1 ZINC000187932101 388904069 /nfs/dbraw/zinc/90/40/69/388904069.db2.gz HBAIESJFSZSJDX-AWEZNQCLSA-N 2 2 274.405 0.596 20 0 CCADLP COCC[N@@H+](C)CC[NH2+][C@@H](COC)C1CCOCC1 ZINC000187932101 388904074 /nfs/dbraw/zinc/90/40/74/388904074.db2.gz HBAIESJFSZSJDX-AWEZNQCLSA-N 2 2 274.405 0.596 20 0 CCADLP Cc1cn2ccc(NC(=O)C(=O)NCC[NH+](C)C)cc2[nH+]1 ZINC000657632042 413039458 /nfs/dbraw/zinc/03/94/58/413039458.db2.gz YHGLXAWTHUWLEF-UHFFFAOYSA-N 2 2 289.339 0.259 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000189918278 388977666 /nfs/dbraw/zinc/97/76/66/388977666.db2.gz LZDVZVIPXUUDEC-LSDHHAIUSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000189918278 388977670 /nfs/dbraw/zinc/97/76/70/388977670.db2.gz LZDVZVIPXUUDEC-LSDHHAIUSA-N 2 2 299.459 0.484 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000190151355 388984466 /nfs/dbraw/zinc/98/44/66/388984466.db2.gz ZZSJKAGZJILTFL-LBPRGKRZSA-N 2 2 269.389 0.213 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000190151355 388984470 /nfs/dbraw/zinc/98/44/70/388984470.db2.gz ZZSJKAGZJILTFL-LBPRGKRZSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@@H](C[NH2+][C@@H](C)CS(C)(=O)=O)C[NH+]1CCCC1 ZINC000081901162 389000765 /nfs/dbraw/zinc/00/07/65/389000765.db2.gz SJEQHDLDUQYNLD-RYUDHWBXSA-N 2 2 262.419 0.741 20 0 CCADLP Cn1ncc2c1nc(NC[C@@H]1CCC[N@H+](C)C1)[nH+]c2N ZINC000302594906 389075173 /nfs/dbraw/zinc/07/51/73/389075173.db2.gz XEIGLZFSQFHCJL-VIFPVBQESA-N 2 2 275.360 0.699 20 0 CCADLP Cn1ncc2c1nc(NC[C@@H]1CCC[N@@H+](C)C1)[nH+]c2N ZINC000302594906 389075174 /nfs/dbraw/zinc/07/51/74/389075174.db2.gz XEIGLZFSQFHCJL-VIFPVBQESA-N 2 2 275.360 0.699 20 0 CCADLP C[C@@H]1CN(c2cc(N3CCCC3)[nH+]cn2)CC[N@@H+]1CCO ZINC000302814767 389079337 /nfs/dbraw/zinc/07/93/37/389079337.db2.gz BKOGDFHUGRMPPR-CYBMUJFWSA-N 2 2 291.399 0.580 20 0 CCADLP C[C@@H]1CN(c2cc(N3CCCC3)[nH+]cn2)CC[N@H+]1CCO ZINC000302814767 389079338 /nfs/dbraw/zinc/07/93/38/389079338.db2.gz BKOGDFHUGRMPPR-CYBMUJFWSA-N 2 2 291.399 0.580 20 0 CCADLP C[NH+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000338194096 389088342 /nfs/dbraw/zinc/08/83/42/389088342.db2.gz ZQJBJMOXVCZYGA-CYBMUJFWSA-N 2 2 283.416 0.507 20 0 CCADLP CO[C@]1(C)C[C@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000093177797 389034733 /nfs/dbraw/zinc/03/47/33/389034733.db2.gz OCHSHCKUPBZCNU-XJKSGUPXSA-N 2 2 297.443 0.896 20 0 CCADLP CO[C@]1(C)C[C@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000093177797 389034736 /nfs/dbraw/zinc/03/47/36/389034736.db2.gz OCHSHCKUPBZCNU-XJKSGUPXSA-N 2 2 297.443 0.896 20 0 CCADLP CO[C@@]1(C)C[C@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000093177801 389034924 /nfs/dbraw/zinc/03/49/24/389034924.db2.gz OCHSHCKUPBZCNU-BBRMVZONSA-N 2 2 297.443 0.896 20 0 CCADLP CO[C@@]1(C)C[C@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000093177801 389034926 /nfs/dbraw/zinc/03/49/26/389034926.db2.gz OCHSHCKUPBZCNU-BBRMVZONSA-N 2 2 297.443 0.896 20 0 CCADLP CO[C@H]1CCC[NH+](CC(O)C[N@H+]2CCC[C@H](OC)C2)C1 ZINC000194473792 389096521 /nfs/dbraw/zinc/09/65/21/389096521.db2.gz HNERPCVLXSREHM-GJZGRUSLSA-N 2 2 286.416 0.569 20 0 CCADLP CO[C@H]1CCC[NH+](CC(O)C[N@@H+]2CCC[C@H](OC)C2)C1 ZINC000194473792 389096524 /nfs/dbraw/zinc/09/65/24/389096524.db2.gz HNERPCVLXSREHM-GJZGRUSLSA-N 2 2 286.416 0.569 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)OCCO)C[N@@H+]1C1CC1 ZINC000311215411 389101800 /nfs/dbraw/zinc/10/18/00/389101800.db2.gz RLOXQDSIDQICKN-NWDGAFQWSA-N 2 2 256.390 0.989 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)OCCO)C[N@H+]1C1CC1 ZINC000311215411 389101803 /nfs/dbraw/zinc/10/18/03/389101803.db2.gz RLOXQDSIDQICKN-NWDGAFQWSA-N 2 2 256.390 0.989 20 0 CCADLP CO[C@](C)(C[NH2+]CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000311584593 389103774 /nfs/dbraw/zinc/10/37/74/389103774.db2.gz PHXOMITVEOSIAB-CQSZACIVSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000338290017 389106403 /nfs/dbraw/zinc/10/64/03/389106403.db2.gz PWBGBANWVWDJGX-OLZOCXBDSA-N 2 2 286.420 0.347 20 0 CCADLP CN(Cc1ccccc1)C(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313357769 389113366 /nfs/dbraw/zinc/11/33/66/389113366.db2.gz TWYJAHZAZXMGKB-OAHLLOKOSA-N 2 2 291.395 0.695 20 0 CCADLP CN(Cc1ccccc1)C(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313357769 389113367 /nfs/dbraw/zinc/11/33/67/389113367.db2.gz TWYJAHZAZXMGKB-OAHLLOKOSA-N 2 2 291.395 0.695 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](CC(=O)NCc2ccccc2)CCCO1 ZINC000313403769 389113788 /nfs/dbraw/zinc/11/37/88/389113788.db2.gz VQVBVPXXAPDZBA-AWEZNQCLSA-N 2 2 277.368 0.352 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)NCc2ccccc2)CCCO1 ZINC000313403769 389113792 /nfs/dbraw/zinc/11/37/92/389113792.db2.gz VQVBVPXXAPDZBA-AWEZNQCLSA-N 2 2 277.368 0.352 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000328612224 389128954 /nfs/dbraw/zinc/12/89/54/389128954.db2.gz PEJXTJIMQOOPHR-QWRGUYRKSA-N 2 2 266.345 0.547 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000328612224 389128955 /nfs/dbraw/zinc/12/89/55/389128955.db2.gz PEJXTJIMQOOPHR-QWRGUYRKSA-N 2 2 266.345 0.547 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000328612224 389128957 /nfs/dbraw/zinc/12/89/57/389128957.db2.gz PEJXTJIMQOOPHR-QWRGUYRKSA-N 2 2 266.345 0.547 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000328612224 389128958 /nfs/dbraw/zinc/12/89/58/389128958.db2.gz PEJXTJIMQOOPHR-QWRGUYRKSA-N 2 2 266.345 0.547 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@@H](C)[NH+]1C ZINC000339617624 389135941 /nfs/dbraw/zinc/13/59/41/389135941.db2.gz AYKVXYQMFBRTRJ-TUVASFSCSA-N 2 2 267.417 0.874 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@@H](C)[NH+]1C ZINC000339617624 389135945 /nfs/dbraw/zinc/13/59/45/389135945.db2.gz AYKVXYQMFBRTRJ-TUVASFSCSA-N 2 2 267.417 0.874 20 0 CCADLP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1c[nH+]cn1C ZINC000360095919 389190578 /nfs/dbraw/zinc/19/05/78/389190578.db2.gz BIDFRWLDVGBJLM-AAEUAGOBSA-N 2 2 279.388 0.902 20 0 CCADLP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1c[nH+]cn1C ZINC000360095919 389190582 /nfs/dbraw/zinc/19/05/82/389190582.db2.gz BIDFRWLDVGBJLM-AAEUAGOBSA-N 2 2 279.388 0.902 20 0 CCADLP C[C@@H]1CC[N@@H+](Cc2nc(N)nc(N)n2)C[C@@H]1n1cc[nH+]c1 ZINC000129650888 389191015 /nfs/dbraw/zinc/19/10/15/389191015.db2.gz CSJJANCSWUCFJG-ZJUUUORDSA-N 2 2 288.359 0.316 20 0 CCADLP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000237864067 389195597 /nfs/dbraw/zinc/19/55/97/389195597.db2.gz JXGAVEZQHFVBOQ-UONOGXRCSA-N 2 2 283.416 0.733 20 0 CCADLP CCn1cnc2c(c1=O)CC[N@H+](Cc1c[nH+]cn1C)C2 ZINC000329168081 389151951 /nfs/dbraw/zinc/15/19/51/389151951.db2.gz IPPQLUAPDQDKAU-UHFFFAOYSA-N 2 2 273.340 0.555 20 0 CCADLP CCn1cnc2c(c1=O)CC[N@@H+](Cc1c[nH+]cn1C)C2 ZINC000329168081 389151952 /nfs/dbraw/zinc/15/19/52/389151952.db2.gz IPPQLUAPDQDKAU-UHFFFAOYSA-N 2 2 273.340 0.555 20 0 CCADLP CNS(=O)(=O)CCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123404632 389156445 /nfs/dbraw/zinc/15/64/45/389156445.db2.gz OUISHJVHGBDINA-RYUDHWBXSA-N 2 2 277.434 0.340 20 0 CCADLP CNS(=O)(=O)CCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123404632 389156450 /nfs/dbraw/zinc/15/64/50/389156450.db2.gz OUISHJVHGBDINA-RYUDHWBXSA-N 2 2 277.434 0.340 20 0 CCADLP CNS(=O)(=O)CCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123404632 389156453 /nfs/dbraw/zinc/15/64/53/389156453.db2.gz OUISHJVHGBDINA-RYUDHWBXSA-N 2 2 277.434 0.340 20 0 CCADLP CNS(=O)(=O)CCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123404632 389156456 /nfs/dbraw/zinc/15/64/56/389156456.db2.gz OUISHJVHGBDINA-RYUDHWBXSA-N 2 2 277.434 0.340 20 0 CCADLP CC[N@H+](C)CCNC(=O)[C@@H]1COCC[NH+]1CC1CCC1 ZINC000364422182 389263757 /nfs/dbraw/zinc/26/37/57/389263757.db2.gz TVAKSRDMZAACLS-AWEZNQCLSA-N 2 2 283.416 0.555 20 0 CCADLP CC[N@@H+](C)CCNC(=O)[C@@H]1COCC[NH+]1CC1CCC1 ZINC000364422182 389263759 /nfs/dbraw/zinc/26/37/59/389263759.db2.gz TVAKSRDMZAACLS-AWEZNQCLSA-N 2 2 283.416 0.555 20 0 CCADLP CC[NH+](C)CCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000364422182 389263761 /nfs/dbraw/zinc/26/37/61/389263761.db2.gz TVAKSRDMZAACLS-AWEZNQCLSA-N 2 2 283.416 0.555 20 0 CCADLP CC[NH+](C)CCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000364422182 389263763 /nfs/dbraw/zinc/26/37/63/389263763.db2.gz TVAKSRDMZAACLS-AWEZNQCLSA-N 2 2 283.416 0.555 20 0 CCADLP COC[C@@H](C)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131240938 389210637 /nfs/dbraw/zinc/21/06/37/389210637.db2.gz LUDYYLTUZKFAPH-DGCLKSJQSA-N 2 2 269.389 0.435 20 0 CCADLP COC[C@@H](C)[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131240938 389210641 /nfs/dbraw/zinc/21/06/41/389210641.db2.gz LUDYYLTUZKFAPH-DGCLKSJQSA-N 2 2 269.389 0.435 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)NCC[N@@H+](C)CCOC ZINC000136858418 389268516 /nfs/dbraw/zinc/26/85/16/389268516.db2.gz IFRNEIFNSSLKEW-AATRIKPKSA-N 2 2 280.372 0.611 20 0 CCADLP COc1c[nH+]ccc1N1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC000361517298 389218507 /nfs/dbraw/zinc/21/85/07/389218507.db2.gz BLVYPFHHLFXAJP-JTQLQIEISA-N 2 2 264.329 0.086 20 0 CCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000343401836 389265719 /nfs/dbraw/zinc/26/57/19/389265719.db2.gz MEAOWNPRLYWSAV-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000343401836 389265720 /nfs/dbraw/zinc/26/57/20/389265720.db2.gz MEAOWNPRLYWSAV-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000362723572 389240321 /nfs/dbraw/zinc/24/03/21/389240321.db2.gz KSHHJMBELCWXOC-RFGFWPKPSA-N 2 2 283.416 0.410 20 0 CCADLP C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000362723572 389240324 /nfs/dbraw/zinc/24/03/24/389240324.db2.gz KSHHJMBELCWXOC-RFGFWPKPSA-N 2 2 283.416 0.410 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000331683387 389310001 /nfs/dbraw/zinc/31/00/01/389310001.db2.gz ROPQOVHWNTWYIY-WFASDCNBSA-N 2 2 296.415 0.685 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000331683387 389310002 /nfs/dbraw/zinc/31/00/02/389310002.db2.gz ROPQOVHWNTWYIY-WFASDCNBSA-N 2 2 296.415 0.685 20 0 CCADLP CC(=O)N1CCC[N@H+](CCn2cc[nH+]c2C)CC1 ZINC000346227123 389324677 /nfs/dbraw/zinc/32/46/77/389324677.db2.gz BOFQCNUMFWGKGD-UHFFFAOYSA-N 2 2 250.346 0.746 20 0 CCADLP CC(=O)N1CCC[N@@H+](CCn2cc[nH+]c2C)CC1 ZINC000346227123 389324681 /nfs/dbraw/zinc/32/46/81/389324681.db2.gz BOFQCNUMFWGKGD-UHFFFAOYSA-N 2 2 250.346 0.746 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346995209 389343940 /nfs/dbraw/zinc/34/39/40/389343940.db2.gz VORLCJUIFKBETI-GJZGRUSLSA-N 3 2 294.443 0.224 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346995209 389343945 /nfs/dbraw/zinc/34/39/45/389343945.db2.gz VORLCJUIFKBETI-GJZGRUSLSA-N 3 2 294.443 0.224 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158514255 389344332 /nfs/dbraw/zinc/34/43/32/389344332.db2.gz PQHYNWWLWZDKDV-IJLUTSLNSA-N 2 2 282.388 0.247 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158514255 389344336 /nfs/dbraw/zinc/34/43/36/389344336.db2.gz PQHYNWWLWZDKDV-IJLUTSLNSA-N 2 2 282.388 0.247 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158514255 389344341 /nfs/dbraw/zinc/34/43/41/389344341.db2.gz PQHYNWWLWZDKDV-IJLUTSLNSA-N 2 2 282.388 0.247 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158514255 389344344 /nfs/dbraw/zinc/34/43/44/389344344.db2.gz PQHYNWWLWZDKDV-IJLUTSLNSA-N 2 2 282.388 0.247 20 0 CCADLP C[C@H]1C[N@H+](CC2CC[NH2+]CC2)CCS(=O)(=O)C1 ZINC000261624078 389272724 /nfs/dbraw/zinc/27/27/24/389272724.db2.gz CAEGVSBHQNKHRZ-NSHDSACASA-N 2 2 260.403 0.353 20 0 CCADLP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCS(=O)(=O)C1 ZINC000261624078 389272725 /nfs/dbraw/zinc/27/27/25/389272725.db2.gz CAEGVSBHQNKHRZ-NSHDSACASA-N 2 2 260.403 0.353 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261785332 389276449 /nfs/dbraw/zinc/27/64/49/389276449.db2.gz PZBHYLDEWGSAAK-NWDGAFQWSA-N 2 2 282.388 0.152 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261785332 389276450 /nfs/dbraw/zinc/27/64/50/389276450.db2.gz PZBHYLDEWGSAAK-NWDGAFQWSA-N 2 2 282.388 0.152 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)C1 ZINC000344550577 389282514 /nfs/dbraw/zinc/28/25/14/389282514.db2.gz KBYVFSVJMDDERG-CHWSQXEVSA-N 3 2 255.406 0.373 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)C1 ZINC000344550577 389282517 /nfs/dbraw/zinc/28/25/17/389282517.db2.gz KBYVFSVJMDDERG-CHWSQXEVSA-N 3 2 255.406 0.373 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](CO)c2ccsc2)CC1 ZINC000331023678 389286617 /nfs/dbraw/zinc/28/66/17/389286617.db2.gz UPBDWDOMLBGWFS-GFCCVEGCSA-N 2 2 283.397 0.145 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263002478 389297194 /nfs/dbraw/zinc/29/71/94/389297194.db2.gz OXJMWHMMTRATIZ-IEBDPFPHSA-N 2 2 273.327 0.583 20 0 CCADLP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000332774580 389369873 /nfs/dbraw/zinc/36/98/73/389369873.db2.gz XGRARDXTRLOEQU-STQMWFEESA-N 2 2 276.384 0.904 20 0 CCADLP CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000332774580 389369875 /nfs/dbraw/zinc/36/98/75/389369875.db2.gz XGRARDXTRLOEQU-STQMWFEESA-N 2 2 276.384 0.904 20 0 CCADLP COCCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370831856 389417024 /nfs/dbraw/zinc/41/70/24/389417024.db2.gz WEJRYXUHRBBPAI-CQSZACIVSA-N 2 2 283.416 0.650 20 0 CCADLP COCCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370831856 389417030 /nfs/dbraw/zinc/41/70/30/389417030.db2.gz WEJRYXUHRBBPAI-CQSZACIVSA-N 2 2 283.416 0.650 20 0 CCADLP CCCN1C[C@@H](C[NH2+]Cc2c[nH+]c(N(C)C)n2C)CC1=O ZINC000422079611 389395466 /nfs/dbraw/zinc/39/54/66/389395466.db2.gz AAUIDJNYQVAUCL-GFCCVEGCSA-N 2 2 293.415 0.834 20 0 CCADLP O=C(C[NH2+]C[C@H]1CCCO1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000269245241 389409702 /nfs/dbraw/zinc/40/97/02/389409702.db2.gz MBHSCAJAQKLHPG-CHWSQXEVSA-N 2 2 292.383 0.884 20 0 CCADLP CN(C)c1cc(NC(=O)[C@H]2COCC[NH2+]2)cc[nH+]1 ZINC000269274107 389411778 /nfs/dbraw/zinc/41/17/78/389411778.db2.gz VIBZGNJUGNIAAS-SNVBAGLBSA-N 2 2 250.302 0.075 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158514130 389344852 /nfs/dbraw/zinc/34/48/52/389344852.db2.gz PQHYNWWLWZDKDV-QJPTWQEYSA-N 2 2 282.388 0.247 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158514130 389344856 /nfs/dbraw/zinc/34/48/56/389344856.db2.gz PQHYNWWLWZDKDV-QJPTWQEYSA-N 2 2 282.388 0.247 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158514130 389344861 /nfs/dbraw/zinc/34/48/61/389344861.db2.gz PQHYNWWLWZDKDV-QJPTWQEYSA-N 2 2 282.388 0.247 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158514130 389344867 /nfs/dbraw/zinc/34/48/67/389344867.db2.gz PQHYNWWLWZDKDV-QJPTWQEYSA-N 2 2 282.388 0.247 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000332214365 389346830 /nfs/dbraw/zinc/34/68/30/389346830.db2.gz WBHKWQAEBAAPFI-LBPRGKRZSA-N 2 2 271.324 0.722 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000332214365 389346835 /nfs/dbraw/zinc/34/68/35/389346835.db2.gz WBHKWQAEBAAPFI-LBPRGKRZSA-N 2 2 271.324 0.722 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)NCc1ccc[nH+]c1N(C)C ZINC000347466780 389352886 /nfs/dbraw/zinc/35/28/86/389352886.db2.gz DKADLSLGKFNYPO-LLVKDONJSA-N 2 2 250.346 0.747 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000332620519 389354743 /nfs/dbraw/zinc/35/47/43/389354743.db2.gz NPEBHYBDGKMOBN-NEPJUHHUSA-N 2 2 280.372 0.097 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000332620519 389354744 /nfs/dbraw/zinc/35/47/44/389354744.db2.gz NPEBHYBDGKMOBN-NEPJUHHUSA-N 2 2 280.372 0.097 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000332620519 389354745 /nfs/dbraw/zinc/35/47/45/389354745.db2.gz NPEBHYBDGKMOBN-NEPJUHHUSA-N 2 2 280.372 0.097 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000332620519 389354747 /nfs/dbraw/zinc/35/47/47/389354747.db2.gz NPEBHYBDGKMOBN-NEPJUHHUSA-N 2 2 280.372 0.097 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]CCN2CCSCC2)[C@@H](C)C1 ZINC000347756391 389357681 /nfs/dbraw/zinc/35/76/81/389357681.db2.gz ULFNGPYPJUQKAX-STQMWFEESA-N 2 2 257.447 0.965 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]CCN2CCSCC2)[C@@H](C)C1 ZINC000347756391 389357683 /nfs/dbraw/zinc/35/76/83/389357683.db2.gz ULFNGPYPJUQKAX-STQMWFEESA-N 2 2 257.447 0.965 20 0 CCADLP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000347778051 389357999 /nfs/dbraw/zinc/35/79/99/389357999.db2.gz NHLAAWLLLKZCHQ-MGPQQGTHSA-N 3 2 257.422 0.883 20 0 CCADLP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000347778051 389358001 /nfs/dbraw/zinc/35/80/01/389358001.db2.gz NHLAAWLLLKZCHQ-MGPQQGTHSA-N 3 2 257.422 0.883 20 0 CCADLP CCCN1C[C@H](C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CC1=O ZINC000421356323 389360461 /nfs/dbraw/zinc/36/04/61/389360461.db2.gz WXLWWBAMXQLCFZ-RWMBFGLXSA-N 2 2 253.390 0.785 20 0 CCADLP CCCN1C[C@H](C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CC1=O ZINC000421356323 389360466 /nfs/dbraw/zinc/36/04/66/389360466.db2.gz WXLWWBAMXQLCFZ-RWMBFGLXSA-N 2 2 253.390 0.785 20 0 CCADLP CCCNC(=O)CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422736084 389462411 /nfs/dbraw/zinc/46/24/11/389462411.db2.gz XEDRXAHINTUJAL-OCCSQVGLSA-N 2 2 269.389 0.259 20 0 CCADLP CS[C@@H]1CN(Cc2c[nH+]cn2C)C[C@H]1[NH+](C)C ZINC000272067728 389463059 /nfs/dbraw/zinc/46/30/59/389463059.db2.gz TZDZFESSSOCBNX-VXGBXAGGSA-N 2 2 254.403 0.898 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000422768315 389470160 /nfs/dbraw/zinc/47/01/60/389470160.db2.gz NTFNNODOPQPZGW-QWHCGFSZSA-N 2 2 269.389 0.295 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000422768315 389470164 /nfs/dbraw/zinc/47/01/64/389470164.db2.gz NTFNNODOPQPZGW-QWHCGFSZSA-N 2 2 269.389 0.295 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)NCc2[nH+]ccn2C)CC1 ZINC000349997028 389475426 /nfs/dbraw/zinc/47/54/26/389475426.db2.gz XZJLWWRMHNIABE-UHFFFAOYSA-N 2 2 295.387 0.284 20 0 CCADLP C[C@@H]1CN(c2cc(NC3CC3)[nH+]cn2)C[C@H](C)[N@H+]1CCO ZINC000413311672 389494814 /nfs/dbraw/zinc/49/48/14/389494814.db2.gz FKFNTQIZIUOIOQ-TXEJJXNPSA-N 2 2 291.399 0.942 20 0 CCADLP C[C@@H]1CN(c2cc(NC3CC3)[nH+]cn2)C[C@H](C)[N@@H+]1CCO ZINC000413311672 389494823 /nfs/dbraw/zinc/49/48/23/389494823.db2.gz FKFNTQIZIUOIOQ-TXEJJXNPSA-N 2 2 291.399 0.942 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC[NH2+]1 ZINC000422840634 389488429 /nfs/dbraw/zinc/48/84/29/389488429.db2.gz UGNAFDHDUFSHQK-JSGCOSHPSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC[NH2+]1 ZINC000422840634 389488432 /nfs/dbraw/zinc/48/84/32/389488432.db2.gz UGNAFDHDUFSHQK-JSGCOSHPSA-N 2 2 281.400 0.450 20 0 CCADLP C[N@H+](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000370864482 389422167 /nfs/dbraw/zinc/42/21/67/389422167.db2.gz BWYJZDUFVVFYQC-NSHDSACASA-N 2 2 262.357 0.656 20 0 CCADLP C[N@@H+](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000370864482 389422170 /nfs/dbraw/zinc/42/21/70/389422170.db2.gz BWYJZDUFVVFYQC-NSHDSACASA-N 2 2 262.357 0.656 20 0 CCADLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371295197 389430135 /nfs/dbraw/zinc/43/01/35/389430135.db2.gz PLUWHPQIDDIYAE-RWMBFGLXSA-N 2 2 269.389 0.258 20 0 CCADLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371295197 389430139 /nfs/dbraw/zinc/43/01/39/389430139.db2.gz PLUWHPQIDDIYAE-RWMBFGLXSA-N 2 2 269.389 0.258 20 0 CCADLP C[NH+]1CCC2(CCCN2C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000371314516 389430686 /nfs/dbraw/zinc/43/06/86/389430686.db2.gz MYLCPXPDPRNSNR-ZDUSSCGKSA-N 2 2 281.400 0.404 20 0 CCADLP C[NH+]1CCC2(CCCN2C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000371314516 389430689 /nfs/dbraw/zinc/43/06/89/389430689.db2.gz MYLCPXPDPRNSNR-ZDUSSCGKSA-N 2 2 281.400 0.404 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000164939747 389436742 /nfs/dbraw/zinc/43/67/42/389436742.db2.gz QNDXWTBVJQXCHH-AWEZNQCLSA-N 2 2 262.357 0.763 20 0 CCADLP CN(C(=O)C1(O)CCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372320361 389447981 /nfs/dbraw/zinc/44/79/81/389447981.db2.gz MAURVMYOBUFOEP-CQSZACIVSA-N 2 2 295.427 0.528 20 0 CCADLP CN(C(=O)C1(O)CCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372320361 389447985 /nfs/dbraw/zinc/44/79/85/389447985.db2.gz MAURVMYOBUFOEP-CQSZACIVSA-N 2 2 295.427 0.528 20 0 CCADLP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000422692218 389453133 /nfs/dbraw/zinc/45/31/33/389453133.db2.gz JTXZTNCKFPDVKK-VHDGCEQUSA-N 3 2 267.417 0.685 20 0 CCADLP CC[N@H+]1CC[C@H](C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000422692218 389453134 /nfs/dbraw/zinc/45/31/34/389453134.db2.gz JTXZTNCKFPDVKK-VHDGCEQUSA-N 3 2 267.417 0.685 20 0 CCADLP C[C@@H]([NH2+]CCN1CCOCC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000422717612 389458394 /nfs/dbraw/zinc/45/83/94/389458394.db2.gz VSKDFJBEBYMLFW-OLZOCXBDSA-N 2 2 255.406 0.827 20 0 CCADLP C[C@@H](NCC[N@@H+]1CCOCC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000422717612 389458397 /nfs/dbraw/zinc/45/83/97/389458397.db2.gz VSKDFJBEBYMLFW-OLZOCXBDSA-N 2 2 255.406 0.827 20 0 CCADLP C[C@@H](NCC[N@H+]1CCOCC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000422717612 389458401 /nfs/dbraw/zinc/45/84/01/389458401.db2.gz VSKDFJBEBYMLFW-OLZOCXBDSA-N 2 2 255.406 0.827 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC000422935489 389508269 /nfs/dbraw/zinc/50/82/69/389508269.db2.gz ANGQFSDAOJCGLE-SFYZADRCSA-N 2 2 253.268 0.253 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000422945811 389509082 /nfs/dbraw/zinc/50/90/82/389509082.db2.gz NZGMBSFZMOTPAP-DGCLKSJQSA-N 2 2 297.424 0.949 20 0 CCADLP CCNC(=O)C(C)(C)C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422968020 389510997 /nfs/dbraw/zinc/51/09/97/389510997.db2.gz QJHIOGQMKIWGKY-OLZOCXBDSA-N 2 2 283.416 0.505 20 0 CCADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000422961595 389511123 /nfs/dbraw/zinc/51/11/23/389511123.db2.gz ZKSCSGTWLWTEOF-IACUBPJLSA-N 2 2 261.369 0.765 20 0 CCADLP C[NH+](C)CCn1ccc(NC(=O)NCCn2cc[nH+]c2)n1 ZINC000173934815 389511718 /nfs/dbraw/zinc/51/17/18/389511718.db2.gz CZLNZIJIXOTGAI-UHFFFAOYSA-N 2 2 291.359 0.463 20 0 CCADLP Cc1cc(CNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)cc(C)[nH+]1 ZINC000422974108 389513585 /nfs/dbraw/zinc/51/35/85/389513585.db2.gz QKVKSZDTLXSINC-LBPRGKRZSA-N 2 2 290.367 0.135 20 0 CCADLP CC(C)[C@](C)(O)C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422981842 389516192 /nfs/dbraw/zinc/51/61/92/389516192.db2.gz UPJIJUNIAMYBFI-HZSPNIEDSA-N 2 2 256.390 0.750 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)/C=C/C[NH+](C)C)C1 ZINC000374355236 389569745 /nfs/dbraw/zinc/56/97/45/389569745.db2.gz FLVNAWBUBCNAIT-ZYOFXKKJSA-N 2 2 262.357 0.854 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1N[C@H](C)C[N@H+](C)C(C)C ZINC000423122696 389538972 /nfs/dbraw/zinc/53/89/72/389538972.db2.gz KZQZTXNGAOZUDH-AGIUHOORSA-N 2 2 271.405 0.598 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1N[C@H](C)C[N@@H+](C)C(C)C ZINC000423122696 389538975 /nfs/dbraw/zinc/53/89/75/389538975.db2.gz KZQZTXNGAOZUDH-AGIUHOORSA-N 2 2 271.405 0.598 20 0 CCADLP CCC[C@H](C)C(=O)NCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423131062 389539497 /nfs/dbraw/zinc/53/94/97/389539497.db2.gz NMLQLVWUXGCOLV-CFVMTHIKSA-N 2 2 297.443 0.895 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423158572 389546096 /nfs/dbraw/zinc/54/60/96/389546096.db2.gz OEZYRKVIEDGUQC-TUAOUCFPSA-N 2 2 277.434 0.434 20 0 CCADLP C[C@@H]1CC[C@H](C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)O1 ZINC000423168602 389547977 /nfs/dbraw/zinc/54/79/77/389547977.db2.gz USWJAOIKQNGCLQ-FMKGYKFTSA-N 2 2 254.374 0.911 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]CCCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000423187933 389550526 /nfs/dbraw/zinc/55/05/26/389550526.db2.gz YOXYWEFUCUXOJC-KBPBESRZSA-N 3 2 254.422 0.212 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]CCCN2CC[NH2+]CC2)[C@@H](C)C1 ZINC000423187933 389550530 /nfs/dbraw/zinc/55/05/30/389550530.db2.gz YOXYWEFUCUXOJC-KBPBESRZSA-N 3 2 254.422 0.212 20 0 CCADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000423314580 389562993 /nfs/dbraw/zinc/56/29/93/389562993.db2.gz WKHJSWDFGHJPFW-NSHDSACASA-N 2 2 285.413 0.984 20 0 CCADLP COCC[NH2+]CC[NH2+][C@@H](C)Cc1ccc(OC)nc1 ZINC000423321803 389564601 /nfs/dbraw/zinc/56/46/01/389564601.db2.gz GCHZMOQGGROFCM-LBPRGKRZSA-N 2 2 267.373 0.847 20 0 CCADLP C[C@H](C(=O)N1CC[NH+](CCO)C[C@H]1C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413859128 389571994 /nfs/dbraw/zinc/57/19/94/389571994.db2.gz JZXTXSDYBVRGQL-LXTVHRRPSA-N 2 2 297.443 0.773 20 0 CCADLP C[C@H](C(=O)N1CC[NH+](CCO)C[C@H]1C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000413859128 389571997 /nfs/dbraw/zinc/57/19/97/389571997.db2.gz JZXTXSDYBVRGQL-LXTVHRRPSA-N 2 2 297.443 0.773 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](CCO)C[C@H]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000413859128 389572000 /nfs/dbraw/zinc/57/20/00/389572000.db2.gz JZXTXSDYBVRGQL-LXTVHRRPSA-N 2 2 297.443 0.773 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](CCO)C[C@H]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000413859128 389572004 /nfs/dbraw/zinc/57/20/04/389572004.db2.gz JZXTXSDYBVRGQL-LXTVHRRPSA-N 2 2 297.443 0.773 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)CC1(C[NH3+])CC1 ZINC000423335752 389567828 /nfs/dbraw/zinc/56/78/28/389567828.db2.gz UFJSTUKAZGLDMU-UHFFFAOYSA-N 2 2 262.357 0.893 20 0 CCADLP CC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422865948 389496074 /nfs/dbraw/zinc/49/60/74/389496074.db2.gz ZMHHMDOZCWECOH-KKUMJFAQSA-N 3 2 268.449 0.743 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1NCC[N@H+](CC)C1CC1 ZINC000422883385 389498701 /nfs/dbraw/zinc/49/87/01/389498701.db2.gz UZXVFGLTMUAEJO-OLZOCXBDSA-N 2 2 269.389 0.354 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1NCC[N@@H+](CC)C1CC1 ZINC000422883385 389498705 /nfs/dbraw/zinc/49/87/05/389498705.db2.gz UZXVFGLTMUAEJO-OLZOCXBDSA-N 2 2 269.389 0.354 20 0 CCADLP C[C@@H](O)CNc1cc(NCCCC[N@H+](C)C2CC2)[nH+]cn1 ZINC000413347288 389499637 /nfs/dbraw/zinc/49/96/37/389499637.db2.gz KTAAEODEEYLFHK-GFCCVEGCSA-N 2 2 293.415 0.978 20 0 CCADLP C[C@@H](O)CNc1cc(NCCCC[N@@H+](C)C2CC2)[nH+]cn1 ZINC000413347288 389499639 /nfs/dbraw/zinc/49/96/39/389499639.db2.gz KTAAEODEEYLFHK-GFCCVEGCSA-N 2 2 293.415 0.978 20 0 CCADLP C[C@@H](O)CNc1cc(NCCCC[N@H+](C)C2CC2)nc[nH+]1 ZINC000413347288 389499642 /nfs/dbraw/zinc/49/96/42/389499642.db2.gz KTAAEODEEYLFHK-GFCCVEGCSA-N 2 2 293.415 0.978 20 0 CCADLP C[C@@H](O)CNc1cc(NCCCC[N@@H+](C)C2CC2)nc[nH+]1 ZINC000413347288 389499644 /nfs/dbraw/zinc/49/96/44/389499644.db2.gz KTAAEODEEYLFHK-GFCCVEGCSA-N 2 2 293.415 0.978 20 0 CCADLP COCC[N@@H+](C)CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000373641049 389503637 /nfs/dbraw/zinc/50/36/37/389503637.db2.gz WSYMKYLDAAPEDW-ZDUSSCGKSA-N 2 2 294.399 0.530 20 0 CCADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000422914700 389504515 /nfs/dbraw/zinc/50/45/15/389504515.db2.gz VONSIAWGXSFZTB-KBPBESRZSA-N 3 2 255.406 0.829 20 0 CCADLP CN(C)C(=O)CC1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351592967 389625488 /nfs/dbraw/zinc/62/54/88/389625488.db2.gz LPHKJGWIKZIBBA-HNNXBMFYSA-N 2 2 297.443 0.632 20 0 CCADLP CN(C)C(=O)CC1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351592967 389625489 /nfs/dbraw/zinc/62/54/89/389625489.db2.gz LPHKJGWIKZIBBA-HNNXBMFYSA-N 2 2 297.443 0.632 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@H]2C[NH2+]CCN2C)oc1C ZINC000414968181 389649055 /nfs/dbraw/zinc/64/90/55/389649055.db2.gz RMDLLCCCAKUSEZ-LLVKDONJSA-N 2 2 281.356 0.368 20 0 CCADLP COCC[NH2+]CCNCc1c[nH+]c2ccc(C)cn12 ZINC000414866799 389641505 /nfs/dbraw/zinc/64/15/05/389641505.db2.gz BDJBKKJBUXIHAR-UHFFFAOYSA-N 2 2 262.357 0.968 20 0 CCADLP CCOC(=O)Cn1nc(C)c(C[NH2+]C[C@H]([NH3+])C2CC2)c1C ZINC000414883834 389642498 /nfs/dbraw/zinc/64/24/98/389642498.db2.gz DQTPKXGSOZHZDP-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP COCCn1cc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cn1 ZINC000414907543 389644730 /nfs/dbraw/zinc/64/47/30/389644730.db2.gz AWZXMTMMSYLIGW-DGCLKSJQSA-N 2 2 252.362 0.617 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@@H+]1CCOC(C)(C)C1)[C@@H](C)[NH3+] ZINC000423393058 389577378 /nfs/dbraw/zinc/57/73/78/389577378.db2.gz QIXDADKOBVKKIG-CHWSQXEVSA-N 2 2 285.432 0.833 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@H+]1CCOC(C)(C)C1)[C@@H](C)[NH3+] ZINC000423393058 389577385 /nfs/dbraw/zinc/57/73/85/389577385.db2.gz QIXDADKOBVKKIG-CHWSQXEVSA-N 2 2 285.432 0.833 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H]1[NH2+]CCCC1(C)C)[NH+]1CCOCC1 ZINC000423386429 389577835 /nfs/dbraw/zinc/57/78/35/389577835.db2.gz RVKOVDXSKGRPMX-MJBXVCDLSA-N 2 2 297.443 0.990 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423386212 389577911 /nfs/dbraw/zinc/57/79/11/389577911.db2.gz JCRNFSWABGXJOZ-UTUOFQBUSA-N 3 2 294.365 0.410 20 0 CCADLP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000423395958 389579189 /nfs/dbraw/zinc/57/91/89/389579189.db2.gz SBJCLGSKTDOZQC-OLZOCXBDSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000423395958 389579192 /nfs/dbraw/zinc/57/91/92/389579192.db2.gz SBJCLGSKTDOZQC-OLZOCXBDSA-N 2 2 283.416 0.602 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@H]1[NH2+]CCCC1(C)C ZINC000423402654 389580140 /nfs/dbraw/zinc/58/01/40/389580140.db2.gz YUBOIQPVPMZTAU-JHJVBQTASA-N 2 2 283.416 0.648 20 0 CCADLP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+](C)C2CC([NH3+])C2)C1 ZINC000335659894 389581187 /nfs/dbraw/zinc/58/11/87/389581187.db2.gz NUEMHNDIFNMSLA-OKZRHMCRSA-N 2 2 253.390 0.912 20 0 CCADLP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+](C)C2CC([NH3+])C2)C1 ZINC000335659894 389581190 /nfs/dbraw/zinc/58/11/90/389581190.db2.gz NUEMHNDIFNMSLA-OKZRHMCRSA-N 2 2 253.390 0.912 20 0 CCADLP COCCn1cc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cn1 ZINC000414907540 389645301 /nfs/dbraw/zinc/64/53/01/389645301.db2.gz AWZXMTMMSYLIGW-AAEUAGOBSA-N 2 2 252.362 0.617 20 0 CCADLP CC(C)[C@@H](C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)[C@H](C)[NH3+] ZINC000423456257 389590160 /nfs/dbraw/zinc/59/01/60/389590160.db2.gz NQZKSSHABQNCPA-GXTWGEPZSA-N 2 2 293.415 0.673 20 0 CCADLP COCC[N@@H+]1CC[C@H](N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000423501723 389596636 /nfs/dbraw/zinc/59/66/36/389596636.db2.gz LNHGMBCWODKVLA-KBPBESRZSA-N 2 2 255.406 0.814 20 0 CCADLP COCC[N@H+]1CC[C@H](N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000423501723 389596640 /nfs/dbraw/zinc/59/66/40/389596640.db2.gz LNHGMBCWODKVLA-KBPBESRZSA-N 2 2 255.406 0.814 20 0 CCADLP COC[C@@]1(C[NH2+]Cc2c(C)nn(C)c2C)CCC[NH2+]1 ZINC000414945308 389646042 /nfs/dbraw/zinc/64/60/42/389646042.db2.gz PZKUHXRCFNVEET-AWEZNQCLSA-N 2 2 266.389 0.895 20 0 CCADLP COc1cc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCN2C)c(F)cn1 ZINC000423526048 389599347 /nfs/dbraw/zinc/59/93/47/389599347.db2.gz UWFQHYMQMOQDJE-QWRGUYRKSA-N 2 2 282.363 0.784 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@H](C)[NH2+]C ZINC000423622974 389603588 /nfs/dbraw/zinc/60/35/88/389603588.db2.gz BDIGIVLKBAUXRD-NWDGAFQWSA-N 2 2 257.378 0.211 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@H](C)[NH2+]C ZINC000423622974 389603591 /nfs/dbraw/zinc/60/35/91/389603591.db2.gz BDIGIVLKBAUXRD-NWDGAFQWSA-N 2 2 257.378 0.211 20 0 CCADLP CCn1nccc1C[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000414938261 389646511 /nfs/dbraw/zinc/64/65/11/389646511.db2.gz DZWWIFCTPDALBF-CYBMUJFWSA-N 2 2 252.362 0.761 20 0 CCADLP COC[C@]1(C[NH2+]Cc2c(C)n[nH]c2C)CCC[NH2+]1 ZINC000414944097 389646565 /nfs/dbraw/zinc/64/65/65/389646565.db2.gz NIROMPOUSCTJQD-CYBMUJFWSA-N 2 2 252.362 0.885 20 0 CCADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCC(=O)NC(N)=O)C1 ZINC000428654961 389711997 /nfs/dbraw/zinc/71/19/97/389711997.db2.gz KOPMOYXPUDVYLP-LLVKDONJSA-N 2 2 293.371 0.260 20 0 CCADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000428654961 389711999 /nfs/dbraw/zinc/71/19/99/389711999.db2.gz KOPMOYXPUDVYLP-LLVKDONJSA-N 2 2 293.371 0.260 20 0 CCADLP COCc1cccc(C[NH2+]C[C@H]2C[NH2+]CCN2C)c1 ZINC000414966254 389649516 /nfs/dbraw/zinc/64/95/16/389649516.db2.gz OJXSCXUVMLTPBL-OAHLLOKOSA-N 2 2 263.385 0.826 20 0 CCADLP CC(C)[C@H]1C[N@H+](C)CCN1CC[NH+]1CCOC[C@H]1C ZINC000425480632 389649760 /nfs/dbraw/zinc/64/97/60/389649760.db2.gz PGIWOFYVHIJKQE-HUUCEWRRSA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@H]1C[N@@H+](C)CCN1CC[NH+]1CCOC[C@H]1C ZINC000425480632 389649764 /nfs/dbraw/zinc/64/97/64/389649764.db2.gz PGIWOFYVHIJKQE-HUUCEWRRSA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@H]1C[NH+](C)CCN1CC[N@@H+]1CCOC[C@H]1C ZINC000425480632 389649766 /nfs/dbraw/zinc/64/97/66/389649766.db2.gz PGIWOFYVHIJKQE-HUUCEWRRSA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@H]1C[NH+](C)CCN1CC[N@H+]1CCOC[C@H]1C ZINC000425480632 389649769 /nfs/dbraw/zinc/64/97/69/389649769.db2.gz PGIWOFYVHIJKQE-HUUCEWRRSA-N 2 2 269.433 0.979 20 0 CCADLP Cc1nn(C(C)C)cc1C[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414973925 389650923 /nfs/dbraw/zinc/65/09/23/389650923.db2.gz JLFBXQUKMZQVMT-AWEZNQCLSA-N 2 2 265.405 0.766 20 0 CCADLP C[C@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC000179314864 389652075 /nfs/dbraw/zinc/65/20/75/389652075.db2.gz VAMFTCLCNLASCY-ZDUSSCGKSA-N 2 2 298.431 0.443 20 0 CCADLP COc1cc2c(cc1C[NH2+]C[C@H]1C[NH2+]CCCO1)OCO2 ZINC000415031720 389653237 /nfs/dbraw/zinc/65/32/37/389653237.db2.gz FCYGJPXTVWMRAX-GFCCVEGCSA-N 2 2 294.351 0.892 20 0 CCADLP Cc1nn(-c2ccccc2)cc1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000415053511 389653797 /nfs/dbraw/zinc/65/37/97/389653797.db2.gz KDDPYRFDAVRJTO-HNNXBMFYSA-N 2 2 274.368 0.932 20 0 CCADLP Cc1nn(-c2ccccc2)cc1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000415053511 389653800 /nfs/dbraw/zinc/65/38/00/389653800.db2.gz KDDPYRFDAVRJTO-HNNXBMFYSA-N 2 2 274.368 0.932 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)CCO1 ZINC000375251489 389655129 /nfs/dbraw/zinc/65/51/29/389655129.db2.gz WAEACOILAQVBMQ-WFASDCNBSA-N 2 2 281.400 0.213 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)CCO1 ZINC000375251489 389655132 /nfs/dbraw/zinc/65/51/32/389655132.db2.gz WAEACOILAQVBMQ-WFASDCNBSA-N 2 2 281.400 0.213 20 0 CCADLP C[N@@H+](Cc1cnc2ccc(Cl)cn12)C[C@@H](O)C[NH3+] ZINC000415074220 389655523 /nfs/dbraw/zinc/65/55/23/389655523.db2.gz ZWAHBTUODUQAMH-NSHDSACASA-N 2 2 268.748 0.739 20 0 CCADLP C[N@H+](Cc1cnc2ccc(Cl)cn12)C[C@@H](O)C[NH3+] ZINC000415074220 389655524 /nfs/dbraw/zinc/65/55/24/389655524.db2.gz ZWAHBTUODUQAMH-NSHDSACASA-N 2 2 268.748 0.739 20 0 CCADLP c1cc(N2CCCC2)ncc1C[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000415098938 389659850 /nfs/dbraw/zinc/65/98/50/389659850.db2.gz XBIMXTRIXCTXPK-AWEZNQCLSA-N 2 2 276.384 0.760 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000426767605 389678839 /nfs/dbraw/zinc/67/88/39/389678839.db2.gz OOQAFNFAMQOIAO-GBJTYRQASA-N 2 2 295.427 0.506 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000426767605 389678841 /nfs/dbraw/zinc/67/88/41/389678841.db2.gz OOQAFNFAMQOIAO-GBJTYRQASA-N 2 2 295.427 0.506 20 0 CCADLP Cc1nnc(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)[nH]1 ZINC000428303583 389690986 /nfs/dbraw/zinc/69/09/86/389690986.db2.gz SUGSETXXLZEJKX-GFCCVEGCSA-N 2 2 292.431 0.713 20 0 CCADLP Cc1nnc(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)[nH]1 ZINC000428303583 389690988 /nfs/dbraw/zinc/69/09/88/389690988.db2.gz SUGSETXXLZEJKX-GFCCVEGCSA-N 2 2 292.431 0.713 20 0 CCADLP Cc1ccc(NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c(C)[nH+]1 ZINC000415619123 389694884 /nfs/dbraw/zinc/69/48/84/389694884.db2.gz HFIGPVATLSDZSY-ZANVPECISA-N 2 2 290.367 0.751 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000351860435 389701971 /nfs/dbraw/zinc/70/19/71/389701971.db2.gz IJWMDHYNWUAWDN-OLZOCXBDSA-N 2 2 297.424 0.634 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000351860435 389701972 /nfs/dbraw/zinc/70/19/72/389701972.db2.gz IJWMDHYNWUAWDN-OLZOCXBDSA-N 2 2 297.424 0.634 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000351863730 389702492 /nfs/dbraw/zinc/70/24/92/389702492.db2.gz UTVDYMSJHDZMQM-RDBSUJKOSA-N 3 2 282.432 0.208 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000351863730 389702493 /nfs/dbraw/zinc/70/24/93/389702493.db2.gz UTVDYMSJHDZMQM-RDBSUJKOSA-N 3 2 282.432 0.208 20 0 CCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@H]1CCCCO1 ZINC000379303595 389761435 /nfs/dbraw/zinc/76/14/35/389761435.db2.gz RBWDDOGMFHNBFD-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP CCCN(C(=O)NCCn1cc[nH+]c1)[C@H]1CC[NH2+]C1 ZINC000416853181 389776518 /nfs/dbraw/zinc/77/65/18/389776518.db2.gz NQIGPSBTGFWWGB-LBPRGKRZSA-N 2 2 265.361 0.667 20 0 CCADLP C[C@@H](C[NH2+]Cc1c[nH+]c(N(C)C)n1C)C[C@H](C)O ZINC000398582207 389783652 /nfs/dbraw/zinc/78/36/52/389783652.db2.gz MNIQJPZQNZQRQT-MNOVXSKESA-N 2 2 254.378 0.983 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416951113 389784206 /nfs/dbraw/zinc/78/42/06/389784206.db2.gz HZGWMOBJIUEAHV-CHWSQXEVSA-N 2 2 292.383 0.731 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000416951113 389784207 /nfs/dbraw/zinc/78/42/07/389784207.db2.gz HZGWMOBJIUEAHV-CHWSQXEVSA-N 2 2 292.383 0.731 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@@H]([NH3+])C1CCC1)[NH+]1CCN(C)CC1 ZINC000398964239 389786827 /nfs/dbraw/zinc/78/68/27/389786827.db2.gz PMWMTATVHPELQI-CABCVRRESA-N 2 2 296.459 0.502 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)N(C)C1CC([NH3+])C1 ZINC000417003606 389788341 /nfs/dbraw/zinc/78/83/41/389788341.db2.gz BNVOJTCOOHJVBK-UHFFFAOYSA-N 2 2 277.372 0.779 20 0 CCADLP CN(C)c1ccc(CNC(=O)N(C)C2CC([NH3+])C2)c[nH+]1 ZINC000417011367 389789744 /nfs/dbraw/zinc/78/97/44/389789744.db2.gz RTDRHGRTESCTAD-UHFFFAOYSA-N 2 2 277.372 0.779 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000417029850 389790936 /nfs/dbraw/zinc/79/09/36/389790936.db2.gz OIJYWGRAXMCQHM-HZSPNIEDSA-N 2 2 298.431 0.524 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000417040164 389791565 /nfs/dbraw/zinc/79/15/65/389791565.db2.gz VSPZHARYLBFFOO-FRRDWIJNSA-N 2 2 284.404 0.086 20 0 CCADLP O=C(NCCCNc1cccc[nH+]1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417065169 389792455 /nfs/dbraw/zinc/79/24/55/389792455.db2.gz BGNLUZYOBSMXCL-OLZOCXBDSA-N 2 2 289.383 0.887 20 0 CCADLP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)NC3CCOCC3)C2)C1 ZINC000429009111 389733361 /nfs/dbraw/zinc/73/33/61/389733361.db2.gz ZLUNLSBTOPFXAJ-HNNXBMFYSA-N 2 2 281.400 0.309 20 0 CCADLP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)NC3CCOCC3)C2)C1 ZINC000429009111 389733365 /nfs/dbraw/zinc/73/33/65/389733365.db2.gz ZLUNLSBTOPFXAJ-HNNXBMFYSA-N 2 2 281.400 0.309 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)NC3CCOCC3)C2)C1 ZINC000429009111 389733367 /nfs/dbraw/zinc/73/33/67/389733367.db2.gz ZLUNLSBTOPFXAJ-HNNXBMFYSA-N 2 2 281.400 0.309 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)NC3CCOCC3)C2)C1 ZINC000429009111 389733370 /nfs/dbraw/zinc/73/33/70/389733370.db2.gz ZLUNLSBTOPFXAJ-HNNXBMFYSA-N 2 2 281.400 0.309 20 0 CCADLP CCC[C@H]1C[NH2+]CCN1C(=O)NCC[NH+]1CCOCC1 ZINC000416436245 389743241 /nfs/dbraw/zinc/74/32/41/389743241.db2.gz IERGHYCJQLLABP-ZDUSSCGKSA-N 2 2 284.404 0.102 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(C)(C)[NH3+])C2)CC1 ZINC000377197171 389745619 /nfs/dbraw/zinc/74/56/19/389745619.db2.gz KXTQENMOEMLDDG-LLVKDONJSA-N 3 2 268.405 0.008 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(C)(C)[NH3+])C2)CC1 ZINC000377197171 389745620 /nfs/dbraw/zinc/74/56/20/389745620.db2.gz KXTQENMOEMLDDG-LLVKDONJSA-N 3 2 268.405 0.008 20 0 CCADLP CCCNC(=O)NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000430564871 389807868 /nfs/dbraw/zinc/80/78/68/389807868.db2.gz CZLAAFJBTWFULE-GFCCVEGCSA-N 2 2 258.366 0.185 20 0 CCADLP CCCCNC(=O)NC(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430579945 389809189 /nfs/dbraw/zinc/80/91/89/389809189.db2.gz CYUFRHBUFJULIU-ZDUSSCGKSA-N 2 2 270.377 0.329 20 0 CCADLP CCCCNC(=O)NC(=O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430579944 389809288 /nfs/dbraw/zinc/80/92/88/389809288.db2.gz CYUFRHBUFJULIU-CYBMUJFWSA-N 2 2 270.377 0.329 20 0 CCADLP CC1(C)NC(=O)N(CCC[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1=O ZINC000430581348 389809333 /nfs/dbraw/zinc/80/93/33/389809333.db2.gz HFLFDEVYPKZISG-NEPJUHHUSA-N 2 2 294.399 0.533 20 0 CCADLP CC1(C)NC(=O)N(CCC[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1=O ZINC000430581348 389809335 /nfs/dbraw/zinc/80/93/35/389809335.db2.gz HFLFDEVYPKZISG-NEPJUHHUSA-N 2 2 294.399 0.533 20 0 CCADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)NCc1cccnc1 ZINC000430594213 389810913 /nfs/dbraw/zinc/81/09/13/389810913.db2.gz KASWLLBWXJPQIQ-AWEZNQCLSA-N 2 2 264.373 0.661 20 0 CCADLP c1c([C@H]2CCC[NH2+]C2)nnn1CC[NH+]1CCOCC1 ZINC000404608192 389811713 /nfs/dbraw/zinc/81/17/13/389811713.db2.gz DHAHYDNRVCHVLC-LBPRGKRZSA-N 2 2 265.361 0.077 20 0 CCADLP CCOCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000430615305 389813005 /nfs/dbraw/zinc/81/30/05/389813005.db2.gz BDGAALLRLBFXCS-ZIAGYGMSSA-N 2 2 285.432 0.849 20 0 CCADLP CCOCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000430615305 389813007 /nfs/dbraw/zinc/81/30/07/389813007.db2.gz BDGAALLRLBFXCS-ZIAGYGMSSA-N 2 2 285.432 0.849 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000417411178 389814119 /nfs/dbraw/zinc/81/41/19/389814119.db2.gz CSWRMFHPLDRLLB-OLZOCXBDSA-N 2 2 298.431 0.394 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000417411178 389814120 /nfs/dbraw/zinc/81/41/20/389814120.db2.gz CSWRMFHPLDRLLB-OLZOCXBDSA-N 2 2 298.431 0.394 20 0 CCADLP CC(C)n1cc[nH+]c1CN(C)CC(=O)N1CC[NH2+]CC1 ZINC000430624172 389814290 /nfs/dbraw/zinc/81/42/90/389814290.db2.gz IKNKFSCMSNIVOL-UHFFFAOYSA-N 2 2 279.388 0.328 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H]2CCN(C(C)C)C2=O)C1 ZINC000430625882 389814367 /nfs/dbraw/zinc/81/43/67/389814367.db2.gz KSDMJYTZTQUREV-QWHCGFSZSA-N 2 2 253.390 0.927 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H]2CCN(C(C)C)C2=O)C1 ZINC000430625882 389814369 /nfs/dbraw/zinc/81/43/69/389814369.db2.gz KSDMJYTZTQUREV-QWHCGFSZSA-N 2 2 253.390 0.927 20 0 CCADLP Cc1ccc([C@H]([NH3+])C(=O)NCC[N@H+]2CCOC[C@@H]2C)cc1 ZINC000430633847 389815244 /nfs/dbraw/zinc/81/52/44/389815244.db2.gz QLISXNCGRDQFNN-ZFWWWQNUSA-N 2 2 291.395 0.832 20 0 CCADLP Cc1ccc([C@H]([NH3+])C(=O)NCC[N@@H+]2CCOC[C@@H]2C)cc1 ZINC000430633847 389815247 /nfs/dbraw/zinc/81/52/47/389815247.db2.gz QLISXNCGRDQFNN-ZFWWWQNUSA-N 2 2 291.395 0.832 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCCS(=O)(=O)N(C)C ZINC000430642994 389815526 /nfs/dbraw/zinc/81/55/26/389815526.db2.gz WIVZJPKIFCEOJJ-NWDGAFQWSA-N 2 2 277.434 0.470 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCCS(=O)(=O)N(C)C ZINC000430642994 389815530 /nfs/dbraw/zinc/81/55/30/389815530.db2.gz WIVZJPKIFCEOJJ-NWDGAFQWSA-N 2 2 277.434 0.470 20 0 CCADLP C[C@H]1CN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC[C@@H]1[NH3+] ZINC000417431322 389815956 /nfs/dbraw/zinc/81/59/56/389815956.db2.gz ZVPXRGOYYVXJPJ-STQMWFEESA-N 2 2 298.431 0.476 20 0 CCADLP C[C@H]1CN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC[C@@H]1[NH3+] ZINC000417431322 389815959 /nfs/dbraw/zinc/81/59/59/389815959.db2.gz ZVPXRGOYYVXJPJ-STQMWFEESA-N 2 2 298.431 0.476 20 0 CCADLP COCC[NH2+]CC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000430712286 389819778 /nfs/dbraw/zinc/81/97/78/389819778.db2.gz HIQCDWYVSSPQMT-UHFFFAOYSA-N 2 2 288.351 0.725 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000417502779 389821783 /nfs/dbraw/zinc/82/17/83/389821783.db2.gz BZOIOWKUFFOVFF-HZSPNIEDSA-N 2 2 298.431 0.618 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000417502779 389821785 /nfs/dbraw/zinc/82/17/85/389821785.db2.gz BZOIOWKUFFOVFF-HZSPNIEDSA-N 2 2 298.431 0.618 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000417506759 389822674 /nfs/dbraw/zinc/82/26/74/389822674.db2.gz OFCANVUBOFVKCX-CHWSQXEVSA-N 2 2 298.431 0.524 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000417506759 389822678 /nfs/dbraw/zinc/82/26/78/389822678.db2.gz OFCANVUBOFVKCX-CHWSQXEVSA-N 2 2 298.431 0.524 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N1CC[NH2+][C@H](C)C1)[NH+]1CCOCC1 ZINC000417515458 389824414 /nfs/dbraw/zinc/82/44/14/389824414.db2.gz DIZQVFJLIZWMLD-FRRDWIJNSA-N 2 2 284.404 0.099 20 0 CCADLP O=C([C@@H]1COCC[NH2+]1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000430764908 389824586 /nfs/dbraw/zinc/82/45/86/389824586.db2.gz HHFSUPHDAUOVFQ-LBPRGKRZSA-N 2 2 264.329 0.104 20 0 CCADLP O=C([C@@H]1COCC[NH2+]1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000430764908 389824587 /nfs/dbraw/zinc/82/45/87/389824587.db2.gz HHFSUPHDAUOVFQ-LBPRGKRZSA-N 2 2 264.329 0.104 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NC1(C)CC[NH2+]CC1 ZINC000417518121 389825455 /nfs/dbraw/zinc/82/54/55/389825455.db2.gz RTERGOYWTBLULG-LBPRGKRZSA-N 2 2 284.404 0.148 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NC1(C)CC[NH2+]CC1 ZINC000417518121 389825456 /nfs/dbraw/zinc/82/54/56/389825456.db2.gz RTERGOYWTBLULG-LBPRGKRZSA-N 2 2 284.404 0.148 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N1C[C@H](C[NH3+])C[C@H]1C)[NH+]1CCOCC1 ZINC000417523103 389825779 /nfs/dbraw/zinc/82/57/79/389825779.db2.gz QZCMKRZOYPKFBP-RQJABVFESA-N 2 2 298.431 0.474 20 0 CCADLP CCC[NH2+]CCNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000417522222 389825810 /nfs/dbraw/zinc/82/58/10/389825810.db2.gz QAUQLHZIOGFMSR-QWHCGFSZSA-N 2 2 286.420 0.394 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N1C[C@H](C[NH3+])C[C@@H]1C)[NH+]1CCOCC1 ZINC000417523101 389826079 /nfs/dbraw/zinc/82/60/79/389826079.db2.gz QZCMKRZOYPKFBP-FQUUOJAGSA-N 2 2 298.431 0.474 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000417528870 389827138 /nfs/dbraw/zinc/82/71/38/389827138.db2.gz QFBGRXXUWYECJT-KGLIPLIRSA-N 2 2 298.431 0.478 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000417528870 389827142 /nfs/dbraw/zinc/82/71/42/389827142.db2.gz QFBGRXXUWYECJT-KGLIPLIRSA-N 2 2 298.431 0.478 20 0 CCADLP COCc1ccc(CNC(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000430918612 389835255 /nfs/dbraw/zinc/83/52/55/389835255.db2.gz IGQPCUJPOQXCBB-OAHLLOKOSA-N 2 2 291.395 0.730 20 0 CCADLP COCc1ccc(CNC(=O)C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000430918612 389835259 /nfs/dbraw/zinc/83/52/59/389835259.db2.gz IGQPCUJPOQXCBB-OAHLLOKOSA-N 2 2 291.395 0.730 20 0 CCADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000430931235 389836326 /nfs/dbraw/zinc/83/63/26/389836326.db2.gz VXWMUBUWLHMUDJ-LBPRGKRZSA-N 2 2 291.351 0.312 20 0 CCADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000430931235 389836328 /nfs/dbraw/zinc/83/63/28/389836328.db2.gz VXWMUBUWLHMUDJ-LBPRGKRZSA-N 2 2 291.351 0.312 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)C1 ZINC000430957190 389839822 /nfs/dbraw/zinc/83/98/22/389839822.db2.gz RDMCWZKTYOJMME-ZNMIVQPWSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)C1 ZINC000430957190 389839824 /nfs/dbraw/zinc/83/98/24/389839824.db2.gz RDMCWZKTYOJMME-ZNMIVQPWSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)NC(C2CC2)C2CC2)CC[C@H]1[NH3+] ZINC000430969172 389841682 /nfs/dbraw/zinc/84/16/82/389841682.db2.gz CDIZLTAVIVPYAS-ZWNOBZJWSA-N 2 2 265.401 0.960 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)NC(C2CC2)C2CC2)CC[C@H]1[NH3+] ZINC000430969172 389841686 /nfs/dbraw/zinc/84/16/86/389841686.db2.gz CDIZLTAVIVPYAS-ZWNOBZJWSA-N 2 2 265.401 0.960 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCC2(O)CCOCC2)C1 ZINC000353049114 389844341 /nfs/dbraw/zinc/84/43/41/389844341.db2.gz CJPWZFJQNQUGLO-OLZOCXBDSA-N 2 2 256.390 0.848 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCC2(O)CCOCC2)C1 ZINC000353049114 389844344 /nfs/dbraw/zinc/84/43/44/389844344.db2.gz CJPWZFJQNQUGLO-OLZOCXBDSA-N 2 2 256.390 0.848 20 0 CCADLP COCC[NH+]1CCC([NH2+]CC2([S@@](C)=O)CC2)CC1 ZINC000442809472 389864134 /nfs/dbraw/zinc/86/41/34/389864134.db2.gz KKHIZOTWUQBOLO-GOSISDBHSA-N 2 2 274.430 0.598 20 0 CCADLP CC[C@@H](C(=O)N1CC[NH+](C[C@@H](C)O)CC1)[NH+](CC)CC ZINC000444383761 389905105 /nfs/dbraw/zinc/90/51/05/389905105.db2.gz PUAFHTIRWQPWAZ-KGLIPLIRSA-N 2 2 285.432 0.632 20 0 CCADLP C[C@H]1CN(c2ccc(CNC(=O)[C@H]3CC[NH2+]3)c[nH+]2)CCO1 ZINC000444183612 389895884 /nfs/dbraw/zinc/89/58/84/389895884.db2.gz OFPPMINBRALZRD-WCQYABFASA-N 2 2 290.367 0.285 20 0 CCADLP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000444269947 389898983 /nfs/dbraw/zinc/89/89/83/389898983.db2.gz PCINFRAQKRYGJU-SWLSCSKDSA-N 2 2 289.383 0.054 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000433163292 389902442 /nfs/dbraw/zinc/90/24/42/389902442.db2.gz XLIOLRXUIABVNE-GJZGRUSLSA-N 2 2 297.443 0.931 20 0 CCADLP CCCCNc1cc(N2CC[NH2+]CC2)nc(N)[nH+]1 ZINC000420133149 389957032 /nfs/dbraw/zinc/95/70/32/389957032.db2.gz ZALMDGZIFRSCPG-UHFFFAOYSA-N 2 2 250.350 0.511 20 0 CCADLP CC1(C)[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)[C@@H]2CCO[C@@H]21 ZINC000447533465 389957222 /nfs/dbraw/zinc/95/72/22/389957222.db2.gz XOSVJXFIUYMNTH-XUXIUFHCSA-N 2 2 295.427 0.729 20 0 CCADLP CC1(C)[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)[C@@H]2CCO[C@@H]21 ZINC000447533465 389957226 /nfs/dbraw/zinc/95/72/26/389957226.db2.gz XOSVJXFIUYMNTH-XUXIUFHCSA-N 2 2 295.427 0.729 20 0 CCADLP COCC(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435564411 389958477 /nfs/dbraw/zinc/95/84/77/389958477.db2.gz CIJMACPCBIPUJJ-LBPRGKRZSA-N 2 2 292.383 0.537 20 0 CCADLP C[N@H+](Cc1cc(=O)n2[nH]ccc2n1)[C@H]1CCC[NH2+]CC1 ZINC000435617303 389959445 /nfs/dbraw/zinc/95/94/45/389959445.db2.gz OQHUGTQMSJYQHM-LBPRGKRZSA-N 2 2 275.356 0.597 20 0 CCADLP C[N@@H+](Cc1cc(=O)n2[nH]ccc2n1)[C@H]1CCC[NH2+]CC1 ZINC000435617303 389959446 /nfs/dbraw/zinc/95/94/46/389959446.db2.gz OQHUGTQMSJYQHM-LBPRGKRZSA-N 2 2 275.356 0.597 20 0 CCADLP CCCCNc1cc(N[C@H]2CC[NH2+]C2)nc(N)[nH+]1 ZINC000420155622 389960193 /nfs/dbraw/zinc/96/01/93/389960193.db2.gz UNOODQBEQIDASC-VIFPVBQESA-N 2 2 250.350 0.297 20 0 CCADLP C[C@@H](Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)[C@H](C)[NH3+] ZINC000420261799 389975122 /nfs/dbraw/zinc/97/51/22/389975122.db2.gz LIIRNMCPOLIESS-TUAOUCFPSA-N 2 2 279.388 0.833 20 0 CCADLP CCCC[N@H+](CCC[NH2+]C)[C@@H]1CCS(=O)(=O)C1 ZINC000435880052 389965170 /nfs/dbraw/zinc/96/51/70/389965170.db2.gz HGMAKBMBQWKMKO-GFCCVEGCSA-N 2 2 262.419 0.885 20 0 CCADLP CCCC[N@@H+](CCC[NH2+]C)[C@@H]1CCS(=O)(=O)C1 ZINC000435880052 389965172 /nfs/dbraw/zinc/96/51/72/389965172.db2.gz HGMAKBMBQWKMKO-GFCCVEGCSA-N 2 2 262.419 0.885 20 0 CCADLP COc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cn1 ZINC000436411987 389975736 /nfs/dbraw/zinc/97/57/36/389975736.db2.gz NDCZYIPEADFLQC-CYBMUJFWSA-N 2 2 251.330 0.246 20 0 CCADLP COc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cn1 ZINC000436411987 389975738 /nfs/dbraw/zinc/97/57/38/389975738.db2.gz NDCZYIPEADFLQC-CYBMUJFWSA-N 2 2 251.330 0.246 20 0 CCADLP OC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1c[nH+]cn1Cc1ccccc1 ZINC000445797119 389926225 /nfs/dbraw/zinc/92/62/25/389926225.db2.gz FZGPZVMDRFAHGJ-GOEBONIOSA-N 2 2 287.363 0.859 20 0 CCADLP OC[C@@H]1C[C@@H](O)C[N@H+]1Cc1c[nH+]cn1Cc1ccccc1 ZINC000445797119 389926228 /nfs/dbraw/zinc/92/62/28/389926228.db2.gz FZGPZVMDRFAHGJ-GOEBONIOSA-N 2 2 287.363 0.859 20 0 CCADLP C[N@H+](CCn1cc[nH+]c1)CCN1CCOC(C)(C)C1 ZINC000434709803 389944014 /nfs/dbraw/zinc/94/40/14/389944014.db2.gz VUAWQBSFLLKETB-UHFFFAOYSA-N 2 2 266.389 0.926 20 0 CCADLP C[N@@H+](CCn1cc[nH+]c1)CCN1CCOC(C)(C)C1 ZINC000434709803 389944016 /nfs/dbraw/zinc/94/40/16/389944016.db2.gz VUAWQBSFLLKETB-UHFFFAOYSA-N 2 2 266.389 0.926 20 0 CCADLP CC(C)n1nnnc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000420307872 389981532 /nfs/dbraw/zinc/98/15/32/389981532.db2.gz NCGQEJVUBAIIHG-SDDRHHMPSA-N 2 2 264.377 0.813 20 0 CCADLP CC(C)n1nnnc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000420307872 389981534 /nfs/dbraw/zinc/98/15/34/389981534.db2.gz NCGQEJVUBAIIHG-SDDRHHMPSA-N 2 2 264.377 0.813 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH2+]Cc3ccccc32)C1 ZINC000428913461 285356198 /nfs/dbraw/zinc/35/61/98/285356198.db2.gz UPHOQIQBAXURAK-OAHLLOKOSA-N 2 2 289.379 0.844 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH2+]Cc3ccccc32)C1 ZINC000428913461 285356199 /nfs/dbraw/zinc/35/61/99/285356199.db2.gz UPHOQIQBAXURAK-OAHLLOKOSA-N 2 2 289.379 0.844 20 0 CCADLP COCc1cccc(CNC(=O)C[N@H+](C)C2CC([NH3+])C2)c1 ZINC000420328999 389983995 /nfs/dbraw/zinc/98/39/95/389983995.db2.gz IQZHOJGFDCMESS-UHFFFAOYSA-N 2 2 291.395 0.871 20 0 CCADLP COCc1cccc(CNC(=O)C[N@@H+](C)C2CC([NH3+])C2)c1 ZINC000420328999 389983997 /nfs/dbraw/zinc/98/39/97/389983997.db2.gz IQZHOJGFDCMESS-UHFFFAOYSA-N 2 2 291.395 0.871 20 0 CCADLP CSc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000420350476 389988399 /nfs/dbraw/zinc/98/83/99/389988399.db2.gz GZTHSNCWTWSXDO-CMPLNLGQSA-N 2 2 297.424 0.987 20 0 CCADLP CSc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000420350476 389988402 /nfs/dbraw/zinc/98/84/02/389988402.db2.gz GZTHSNCWTWSXDO-CMPLNLGQSA-N 2 2 297.424 0.987 20 0 CCADLP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420352260 389989832 /nfs/dbraw/zinc/98/98/32/389989832.db2.gz MAOSWBOWAHKLKT-YRGRVCCFSA-N 2 2 291.395 0.604 20 0 CCADLP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420352260 389989834 /nfs/dbraw/zinc/98/98/34/389989834.db2.gz MAOSWBOWAHKLKT-YRGRVCCFSA-N 2 2 291.395 0.604 20 0 CCADLP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420357154 389990611 /nfs/dbraw/zinc/99/06/11/389990611.db2.gz RVYMCUNIRZEFTH-TZMCWYRMSA-N 2 2 295.383 0.664 20 0 CCADLP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420357154 389990614 /nfs/dbraw/zinc/99/06/14/389990614.db2.gz RVYMCUNIRZEFTH-TZMCWYRMSA-N 2 2 295.383 0.664 20 0 CCADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C[NH3+])c1 ZINC000420356022 389990723 /nfs/dbraw/zinc/99/07/23/389990723.db2.gz QEXDTZXVWJFWEE-CHWSQXEVSA-N 2 2 279.384 0.882 20 0 CCADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C[NH3+])c1 ZINC000420356022 389990725 /nfs/dbraw/zinc/99/07/25/389990725.db2.gz QEXDTZXVWJFWEE-CHWSQXEVSA-N 2 2 279.384 0.882 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC000420365178 389992623 /nfs/dbraw/zinc/99/26/23/389992623.db2.gz KWZTXAHTDCODMN-JTNHKYCSSA-N 2 2 253.390 0.831 20 0 CCADLP COC(=O)c1ccccc1OCC[N@H+](C)CC[NH3+] ZINC000420372846 389993959 /nfs/dbraw/zinc/99/39/59/389993959.db2.gz FTLXJWNMYZSDCE-UHFFFAOYSA-N 2 2 252.314 0.743 20 0 CCADLP COC(=O)c1ccccc1OCC[N@@H+](C)CC[NH3+] ZINC000420372846 389993961 /nfs/dbraw/zinc/99/39/61/389993961.db2.gz FTLXJWNMYZSDCE-UHFFFAOYSA-N 2 2 252.314 0.743 20 0 CCADLP CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420383351 389995245 /nfs/dbraw/zinc/99/52/45/389995245.db2.gz STWWNXYKCNGZIW-JSGCOSHPSA-N 2 2 253.390 0.977 20 0 CCADLP CC[C@H](C)NC(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420383351 389995247 /nfs/dbraw/zinc/99/52/47/389995247.db2.gz STWWNXYKCNGZIW-JSGCOSHPSA-N 2 2 253.390 0.977 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@H+](CCN2C(=O)N[C@H](C)C2=O)C1 ZINC000459359509 390073476 /nfs/dbraw/zinc/07/34/76/390073476.db2.gz QWKDLNFBCHNTJT-CHWSQXEVSA-N 2 2 296.415 0.590 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CCN2C(=O)N[C@H](C)C2=O)C1 ZINC000459359509 390073477 /nfs/dbraw/zinc/07/34/77/390073477.db2.gz QWKDLNFBCHNTJT-CHWSQXEVSA-N 2 2 296.415 0.590 20 0 CCADLP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C(=O)N1CCOCC1 ZINC000459420000 390074344 /nfs/dbraw/zinc/07/43/44/390074344.db2.gz FSCPZAWBRFMKRQ-HNNXBMFYSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC(CC(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000487634336 390089099 /nfs/dbraw/zinc/08/90/99/390089099.db2.gz AGGOZMKSPFCKOJ-UHFFFAOYSA-N 2 2 295.427 0.699 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000488388755 390093513 /nfs/dbraw/zinc/09/35/13/390093513.db2.gz QTMQPONZIGIDIJ-GFCCVEGCSA-N 2 2 294.403 0.191 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000488388755 390093514 /nfs/dbraw/zinc/09/35/14/390093514.db2.gz QTMQPONZIGIDIJ-GFCCVEGCSA-N 2 2 294.403 0.191 20 0 CCADLP C[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CC[N@@H+]1CC(C)(C)O ZINC000493146598 390119658 /nfs/dbraw/zinc/11/96/58/390119658.db2.gz HFSMKJNXXSUQSH-ZYOFXKKJSA-N 2 2 292.383 0.727 20 0 CCADLP C[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CC[N@H+]1CC(C)(C)O ZINC000493146598 390119659 /nfs/dbraw/zinc/11/96/59/390119659.db2.gz HFSMKJNXXSUQSH-ZYOFXKKJSA-N 2 2 292.383 0.727 20 0 CCADLP C[C@@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[N@@H+]1CCO ZINC000490049692 390103897 /nfs/dbraw/zinc/10/38/97/390103897.db2.gz YJBBODDDNDEFHL-SNVBAGLBSA-N 2 2 261.329 0.461 20 0 CCADLP C[C@@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[N@H+]1CCO ZINC000490049692 390103898 /nfs/dbraw/zinc/10/38/98/390103898.db2.gz YJBBODDDNDEFHL-SNVBAGLBSA-N 2 2 261.329 0.461 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCc1cn(C)c[nH+]1 ZINC000457863738 390050832 /nfs/dbraw/zinc/05/08/32/390050832.db2.gz SOGSXAJJQIGSPS-VXGBXAGGSA-N 2 2 264.373 0.952 20 0 CCADLP C[C@@H]([NH3+])C1CC[NH+](CC(=O)Nc2ccon2)CC1 ZINC000647832486 390185091 /nfs/dbraw/zinc/18/50/91/390185091.db2.gz ZZCAHMJOMCNGRY-SECBINFHSA-N 2 2 252.318 0.094 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1Nc1ncnc2c1C[N@H+](C)CC2 ZINC000579573735 390185488 /nfs/dbraw/zinc/18/54/88/390185488.db2.gz SVBLIYIUNGGQIW-GXFFZTMASA-N 2 2 261.373 0.874 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1Nc1ncnc2c1C[N@@H+](C)CC2 ZINC000579573735 390185489 /nfs/dbraw/zinc/18/54/89/390185489.db2.gz SVBLIYIUNGGQIW-GXFFZTMASA-N 2 2 261.373 0.874 20 0 CCADLP CC[NH+]1CCN(CCCNC(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493342072 390123673 /nfs/dbraw/zinc/12/36/73/390123673.db2.gz XLMQTQYPNQZWRH-SNAWJCMRSA-N 2 2 291.399 0.567 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)NCC1=CC[NH2+]CC1 ZINC000493477552 390126638 /nfs/dbraw/zinc/12/66/38/390126638.db2.gz AVOYNQHGXLCJES-ONEGZZNKSA-N 2 2 260.341 0.952 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)Nc2cc(C)[nH+]cc2C)C1 ZINC000535059782 390137920 /nfs/dbraw/zinc/13/79/20/390137920.db2.gz NYDPKNSLGUJBRJ-ZDUSSCGKSA-N 2 2 292.383 0.963 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)Nc2cc(C)[nH+]cc2C)C1 ZINC000535059782 390137921 /nfs/dbraw/zinc/13/79/21/390137921.db2.gz NYDPKNSLGUJBRJ-ZDUSSCGKSA-N 2 2 292.383 0.963 20 0 CCADLP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](Cc2ccccn2)CC1 ZINC000579138732 390146028 /nfs/dbraw/zinc/14/60/28/390146028.db2.gz VGPRDRIMBZAQAE-MRXNPFEDSA-N 2 2 292.427 0.512 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](Cc2ccccn2)CC1 ZINC000579138732 390146033 /nfs/dbraw/zinc/14/60/33/390146033.db2.gz VGPRDRIMBZAQAE-MRXNPFEDSA-N 2 2 292.427 0.512 20 0 CCADLP CCn1nncc1C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000527730833 285360797 /nfs/dbraw/zinc/36/07/97/285360797.db2.gz UXWHSGYPQLTVGG-UHFFFAOYSA-N 2 2 263.349 0.387 20 0 CCADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647798677 390174562 /nfs/dbraw/zinc/17/45/62/390174562.db2.gz VKSLMLJAKMCEEQ-ZJIFWQFVSA-N 3 2 281.444 0.811 20 0 CCADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647798677 390174563 /nfs/dbraw/zinc/17/45/63/390174563.db2.gz VKSLMLJAKMCEEQ-ZJIFWQFVSA-N 3 2 281.444 0.811 20 0 CCADLP COc1cc(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])ccc1C ZINC000580191895 390228131 /nfs/dbraw/zinc/22/81/31/390228131.db2.gz IYGGMYGSJXWUIJ-AWEZNQCLSA-N 2 2 291.395 0.647 20 0 CCADLP COc1cc(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])ccc1C ZINC000580191895 390228133 /nfs/dbraw/zinc/22/81/33/390228133.db2.gz IYGGMYGSJXWUIJ-AWEZNQCLSA-N 2 2 291.395 0.647 20 0 CCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000647874421 390202634 /nfs/dbraw/zinc/20/26/34/390202634.db2.gz UHCZQEMQUNPPMH-STQMWFEESA-N 3 2 293.415 0.498 20 0 CCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000647874421 390202637 /nfs/dbraw/zinc/20/26/37/390202637.db2.gz UHCZQEMQUNPPMH-STQMWFEESA-N 3 2 293.415 0.498 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000579775198 390208083 /nfs/dbraw/zinc/20/80/83/390208083.db2.gz DDTADDOOORCKFY-NSHDSACASA-N 2 2 288.355 0.771 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000579775198 390208086 /nfs/dbraw/zinc/20/80/86/390208086.db2.gz DDTADDOOORCKFY-NSHDSACASA-N 2 2 288.355 0.771 20 0 CCADLP C[C@H]1C[N@H+](CCN2CC[NH2+]CC2)C[C@@H](C(F)(F)F)O1 ZINC000647889368 390209723 /nfs/dbraw/zinc/20/97/23/390209723.db2.gz KYLXAIKSGORJJC-QWRGUYRKSA-N 2 2 281.322 0.543 20 0 CCADLP C[C@H]1C[N@@H+](CCN2CC[NH2+]CC2)C[C@@H](C(F)(F)F)O1 ZINC000647889368 390209726 /nfs/dbraw/zinc/20/97/26/390209726.db2.gz KYLXAIKSGORJJC-QWRGUYRKSA-N 2 2 281.322 0.543 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@@H]([NH3+])C3CCC3)CC2)cc[nH+]1 ZINC000579825465 390211517 /nfs/dbraw/zinc/21/15/17/390211517.db2.gz ACLMGBMJTZSFTM-AWEZNQCLSA-N 2 2 289.383 0.561 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000647907939 390213722 /nfs/dbraw/zinc/21/37/22/390213722.db2.gz VIPRWJJXQKPEPA-HBNTYKKESA-N 3 2 279.388 0.823 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000647907939 390213726 /nfs/dbraw/zinc/21/37/26/390213726.db2.gz VIPRWJJXQKPEPA-HBNTYKKESA-N 3 2 279.388 0.823 20 0 CCADLP COCC[NH+]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000580082941 390219517 /nfs/dbraw/zinc/21/95/17/390219517.db2.gz ZHMULSZJXHGHBS-CYBMUJFWSA-N 2 2 280.372 0.625 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)C1 ZINC000580093409 390220434 /nfs/dbraw/zinc/22/04/34/390220434.db2.gz FTQPCQJDVVNTQH-UKRRQHHQSA-N 2 2 288.395 0.896 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)C1 ZINC000580093409 390220436 /nfs/dbraw/zinc/22/04/36/390220436.db2.gz FTQPCQJDVVNTQH-UKRRQHHQSA-N 2 2 288.395 0.896 20 0 CCADLP CCOC[C@H](O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000580325034 390238441 /nfs/dbraw/zinc/23/84/41/390238441.db2.gz JQWQSWLEDBESIL-NWDGAFQWSA-N 2 2 253.346 0.607 20 0 CCADLP CCOC[C@H](O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000580325034 390238442 /nfs/dbraw/zinc/23/84/42/390238442.db2.gz JQWQSWLEDBESIL-NWDGAFQWSA-N 2 2 253.346 0.607 20 0 CCADLP Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1CCOCC[NH3+] ZINC000647991226 390240723 /nfs/dbraw/zinc/24/07/23/390240723.db2.gz MUOPWRGFYXXKQU-ZDUSSCGKSA-N 2 2 282.388 0.386 20 0 CCADLP Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1CCOCC[NH3+] ZINC000647991226 390240726 /nfs/dbraw/zinc/24/07/26/390240726.db2.gz MUOPWRGFYXXKQU-ZDUSSCGKSA-N 2 2 282.388 0.386 20 0 CCADLP CNC(=O)CC1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000647965858 390232255 /nfs/dbraw/zinc/23/22/55/390232255.db2.gz QNNSZDCZHIKQBL-AWEZNQCLSA-N 2 2 285.432 0.536 20 0 CCADLP CNC(=O)CC1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000647965858 390232257 /nfs/dbraw/zinc/23/22/57/390232257.db2.gz QNNSZDCZHIKQBL-AWEZNQCLSA-N 2 2 285.432 0.536 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CN2CCOCC2)C1 ZINC000647965320 390232316 /nfs/dbraw/zinc/23/23/16/390232316.db2.gz RVCBVXRUKMNKQT-HZPDHXFCSA-N 2 2 299.459 0.342 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CN2CCOCC2)C1 ZINC000647965320 390232317 /nfs/dbraw/zinc/23/23/17/390232317.db2.gz RVCBVXRUKMNKQT-HZPDHXFCSA-N 2 2 299.459 0.342 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000647965320 390232319 /nfs/dbraw/zinc/23/23/19/390232319.db2.gz RVCBVXRUKMNKQT-HZPDHXFCSA-N 2 2 299.459 0.342 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000647965320 390232322 /nfs/dbraw/zinc/23/23/22/390232322.db2.gz RVCBVXRUKMNKQT-HZPDHXFCSA-N 2 2 299.459 0.342 20 0 CCADLP O=C(C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)Nc1ccon1 ZINC000647970614 390234369 /nfs/dbraw/zinc/23/43/69/390234369.db2.gz DIENLPQEJUEGND-LBPRGKRZSA-N 2 2 278.356 0.357 20 0 CCADLP O[C@H](C[NH2+]C[C@@H](O)C1CC1)C[N@@H+]1CCc2ccccc2C1 ZINC000582181008 390267312 /nfs/dbraw/zinc/26/73/12/390267312.db2.gz AULLTKIXIZHUOX-IAGOWNOFSA-N 2 2 290.407 0.766 20 0 CCADLP O[C@H](C[NH2+]C[C@@H](O)C1CC1)C[N@H+]1CCc2ccccc2C1 ZINC000582181008 390267315 /nfs/dbraw/zinc/26/73/15/390267315.db2.gz AULLTKIXIZHUOX-IAGOWNOFSA-N 2 2 290.407 0.766 20 0 CCADLP COc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1O ZINC000582192839 390268967 /nfs/dbraw/zinc/26/89/67/390268967.db2.gz VSLJTUSLGXOKHD-NEPJUHHUSA-N 2 2 291.351 0.145 20 0 CCADLP COc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1O ZINC000582192839 390268970 /nfs/dbraw/zinc/26/89/70/390268970.db2.gz VSLJTUSLGXOKHD-NEPJUHHUSA-N 2 2 291.351 0.145 20 0 CCADLP C[C@@H](Cc1ccoc1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000648437235 390372311 /nfs/dbraw/zinc/37/23/11/390372311.db2.gz GRZVMJVJSFRPGF-LBPRGKRZSA-N 2 2 265.357 0.574 20 0 CCADLP CC(C)[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C(F)(F)F ZINC000583740975 390306130 /nfs/dbraw/zinc/30/61/30/390306130.db2.gz MOTGYBZAJFXDFK-UWVGGRQHSA-N 2 2 296.337 0.858 20 0 CCADLP CC(C)[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C(F)(F)F ZINC000583740975 390306132 /nfs/dbraw/zinc/30/61/32/390306132.db2.gz MOTGYBZAJFXDFK-UWVGGRQHSA-N 2 2 296.337 0.858 20 0 CCADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCN2CCCC2=O)CC1 ZINC000583910183 390322621 /nfs/dbraw/zinc/32/26/21/390322621.db2.gz ZPISDIONMLEFPY-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCN2CCCC2=O)CC1 ZINC000583910183 390322623 /nfs/dbraw/zinc/32/26/23/390322623.db2.gz ZPISDIONMLEFPY-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000583928619 390323380 /nfs/dbraw/zinc/32/33/80/390323380.db2.gz LSFBEVZPGUEUKB-SNPRPXQTSA-N 3 2 267.417 0.685 20 0 CCADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000583928619 390323385 /nfs/dbraw/zinc/32/33/85/390323385.db2.gz LSFBEVZPGUEUKB-SNPRPXQTSA-N 3 2 267.417 0.685 20 0 CCADLP C[N@@H+]1CCC[C@H](CN[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000583928619 390323389 /nfs/dbraw/zinc/32/33/89/390323389.db2.gz LSFBEVZPGUEUKB-SNPRPXQTSA-N 2 2 267.417 0.685 20 0 CCADLP C[N@H+]1CCC[C@H](CN[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000583928619 390323393 /nfs/dbraw/zinc/32/33/93/390323393.db2.gz LSFBEVZPGUEUKB-SNPRPXQTSA-N 2 2 267.417 0.685 20 0 CCADLP [NH3+][C@@H]1CCc2ncc(NC(=O)[C@@H]3CSC[NH2+]3)cc2C1 ZINC000584410679 390341598 /nfs/dbraw/zinc/34/15/98/390341598.db2.gz OCWYEVHEGCTXNY-SKDRFNHKSA-N 2 2 278.381 0.499 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000644900427 390342093 /nfs/dbraw/zinc/34/20/93/390342093.db2.gz CSFVXVZMNDYFKR-LBPRGKRZSA-N 2 2 278.356 0.984 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000644900427 390342099 /nfs/dbraw/zinc/34/20/99/390342099.db2.gz CSFVXVZMNDYFKR-LBPRGKRZSA-N 2 2 278.356 0.984 20 0 CCADLP CN(C)c1[nH+]cc(CN2CC[NH+](C(C)(C)CO)CC2)n1C ZINC000644901187 390342667 /nfs/dbraw/zinc/34/26/67/390342667.db2.gz AINALIIFKLBNSP-UHFFFAOYSA-N 2 2 295.431 0.375 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[NH+](C(C)C)CC1 ZINC000527863590 285371255 /nfs/dbraw/zinc/37/12/55/285371255.db2.gz JHXAGUHVTCPIAM-UHFFFAOYSA-N 2 2 250.346 0.744 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H]3CCOC3)C2)CC1 ZINC000644935795 390348871 /nfs/dbraw/zinc/34/88/71/390348871.db2.gz DOUHGCCUPOCKIG-CHWSQXEVSA-N 2 2 296.415 0.243 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H]3CCOC3)C2)CC1 ZINC000644935795 390348873 /nfs/dbraw/zinc/34/88/73/390348873.db2.gz DOUHGCCUPOCKIG-CHWSQXEVSA-N 2 2 296.415 0.243 20 0 CCADLP O=C1NC(=O)[C@@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]12 ZINC000648749312 390400195 /nfs/dbraw/zinc/40/01/95/390400195.db2.gz BSBBREYEXJKULN-OKILXGFUSA-N 2 2 296.330 0.577 20 0 CCADLP O=C1NC(=O)[C@@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C[C@H]12 ZINC000648749312 390400198 /nfs/dbraw/zinc/40/01/98/390400198.db2.gz BSBBREYEXJKULN-OKILXGFUSA-N 2 2 296.330 0.577 20 0 CCADLP C[C@H]1C[NH+](CCCNC(=O)Cc2c[nH+]cn2C)C[C@H](C)O1 ZINC000547864082 390405834 /nfs/dbraw/zinc/40/58/34/390405834.db2.gz PPWWSGQYCNLASX-STQMWFEESA-N 2 2 294.399 0.578 20 0 CCADLP O=C(NCCn1cc[nH+]c1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548000844 390413903 /nfs/dbraw/zinc/41/39/03/390413903.db2.gz ONJMQCSZMPEYML-NSHDSACASA-N 2 2 274.328 0.394 20 0 CCADLP CN1CC[NH+]([C@H](CNC(=O)CC[NH3+])c2cccs2)CC1 ZINC000554295676 390424321 /nfs/dbraw/zinc/42/43/21/390424321.db2.gz WUGSUSIJCGJZCC-GFCCVEGCSA-N 2 2 296.440 0.502 20 0 CCADLP Nc1nc(N2CC[NH+](CCCO)CC2)c2c([nH+]1)CCCC2 ZINC000645150004 390377635 /nfs/dbraw/zinc/37/76/35/390377635.db2.gz ZMCMZZAGSJWZDW-UHFFFAOYSA-N 2 2 291.399 0.272 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC1([NH+](C)C)CCCC1 ZINC000547539366 390382238 /nfs/dbraw/zinc/38/22/38/390382238.db2.gz VTQMHAUPGWRLSB-UHFFFAOYSA-N 2 2 264.373 0.953 20 0 CCADLP O=C([C@@H]1C[NH2+]CCO1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000645813527 390502109 /nfs/dbraw/zinc/50/21/09/390502109.db2.gz YSUITQGVKCLJIM-MNOVXSKESA-N 2 2 264.329 0.452 20 0 CCADLP C[C@H](O)C[C@@H]1COCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000565313080 390502856 /nfs/dbraw/zinc/50/28/56/390502856.db2.gz ZJNIFGPQIMGMEH-GXTWGEPZSA-N 2 2 267.373 0.824 20 0 CCADLP C[C@H](O)C[C@@H]1COCC[N@H+]1CCCc1c[nH+]cn1C ZINC000565313080 390502858 /nfs/dbraw/zinc/50/28/58/390502858.db2.gz ZJNIFGPQIMGMEH-GXTWGEPZSA-N 2 2 267.373 0.824 20 0 CCADLP COC[C@H](CCC[NH3+])[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000643462662 390448723 /nfs/dbraw/zinc/44/87/23/390448723.db2.gz AMGCWQXTGURRLG-KBPBESRZSA-N 3 2 255.406 0.814 20 0 CCADLP COC[C@H](CCC[NH3+])[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000643462662 390448724 /nfs/dbraw/zinc/44/87/24/390448724.db2.gz AMGCWQXTGURRLG-KBPBESRZSA-N 3 2 255.406 0.814 20 0 CCADLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000643529269 390460121 /nfs/dbraw/zinc/46/01/21/390460121.db2.gz XYTQXOYYPPQEOQ-GHMZBOCLSA-N 2 2 285.413 0.935 20 0 CCADLP [NH3+][C@H](C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1CCC1 ZINC000643595222 390464965 /nfs/dbraw/zinc/46/49/65/390464965.db2.gz AOXUQGTVUMBYQA-JSGCOSHPSA-N 2 2 274.368 0.904 20 0 CCADLP CCOC[C@H](O)C[NH2+]CCCNc1cccc[nH+]1 ZINC000566115564 390581121 /nfs/dbraw/zinc/58/11/21/390581121.db2.gz DQNOMVGXRLDBFQ-GFCCVEGCSA-N 2 2 253.346 0.871 20 0 CCADLP Cc1[nH+]cc(C[NH2+]C2CCC(C(N)=O)CC2)n1C ZINC000565549216 390524443 /nfs/dbraw/zinc/52/44/43/390524443.db2.gz KBJBCZWNAWEQKL-UHFFFAOYSA-N 2 2 250.346 0.862 20 0 CCADLP C[C@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000519706755 390531678 /nfs/dbraw/zinc/53/16/78/390531678.db2.gz OCNNPBORZXZYHC-KBPBESRZSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H](NC(=O)C[N@H+]1CCC(C)(C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000519706755 390531684 /nfs/dbraw/zinc/53/16/84/390531684.db2.gz OCNNPBORZXZYHC-KBPBESRZSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(C[NH3+])o1 ZINC000645933037 390534045 /nfs/dbraw/zinc/53/40/45/390534045.db2.gz VOXCYCWHCGPGDZ-JTQLQIEISA-N 2 2 267.329 0.189 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(C[NH3+])o1 ZINC000645933037 390534052 /nfs/dbraw/zinc/53/40/52/390534052.db2.gz VOXCYCWHCGPGDZ-JTQLQIEISA-N 2 2 267.329 0.189 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CCO1 ZINC000565661464 390534957 /nfs/dbraw/zinc/53/49/57/390534957.db2.gz SLMUZIMFHSEZLB-JHJVBQTASA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CCO1 ZINC000565661464 390534960 /nfs/dbraw/zinc/53/49/60/390534960.db2.gz SLMUZIMFHSEZLB-JHJVBQTASA-N 2 2 269.389 0.341 20 0 CCADLP [NH3+]CCOCCN1CC[NH+](Cc2ccsc2)CC1 ZINC000565719601 390539872 /nfs/dbraw/zinc/53/98/72/390539872.db2.gz LPYLAIDWKNPEKN-UHFFFAOYSA-N 2 2 269.414 0.841 20 0 CCADLP Cn1cc[nH+]c1CN1CCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000645944191 390542471 /nfs/dbraw/zinc/54/24/71/390542471.db2.gz XIMGMCBDNODCJW-UHFFFAOYSA-N 2 2 279.388 0.192 20 0 CCADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@H]2C[C@@H]([NH3+])C2)no1 ZINC000520233984 390562835 /nfs/dbraw/zinc/56/28/35/390562835.db2.gz MLEWEJSBWJYKHO-DTORHVGOSA-N 2 2 281.360 0.220 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)CC2([NH3+])CCC2)CCO1 ZINC000649312503 390572386 /nfs/dbraw/zinc/57/23/86/390572386.db2.gz VRDGLJZGEMCNEP-LLVKDONJSA-N 2 2 255.362 0.095 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)CC2([NH3+])CCC2)CCO1 ZINC000649312503 390572391 /nfs/dbraw/zinc/57/23/91/390572391.db2.gz VRDGLJZGEMCNEP-LLVKDONJSA-N 2 2 255.362 0.095 20 0 CCADLP C[C@H]1CCCN(c2cc(N3CCO[C@@H](C[NH3+])C3)nc[nH+]2)C1 ZINC000521011133 390591868 /nfs/dbraw/zinc/59/18/68/390591868.db2.gz KHRHULCYGGVDJK-STQMWFEESA-N 2 2 291.399 0.877 20 0 CCADLP C[C@H]1CCCN(c2cc(N3CCO[C@@H](C[NH3+])C3)[nH+]cn2)C1 ZINC000521011133 390591873 /nfs/dbraw/zinc/59/18/73/390591873.db2.gz KHRHULCYGGVDJK-STQMWFEESA-N 2 2 291.399 0.877 20 0 CCADLP C[C@@H]([NH3+])C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000646033419 390577896 /nfs/dbraw/zinc/57/78/96/390577896.db2.gz HWJRZFKZHMADFD-SNVBAGLBSA-N 2 2 258.325 0.532 20 0 CCADLP O=c1c2ccccc2ncn1CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000522002677 390619038 /nfs/dbraw/zinc/61/90/38/390619038.db2.gz YVZKMXDXJKEHGW-ZIAGYGMSSA-N 2 2 298.390 0.938 20 0 CCADLP O=c1c2ccccc2ncn1CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000522002677 390619042 /nfs/dbraw/zinc/61/90/42/390619042.db2.gz YVZKMXDXJKEHGW-ZIAGYGMSSA-N 2 2 298.390 0.938 20 0 CCADLP O=c1c2ccccc2ncn1CC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000522002676 390619385 /nfs/dbraw/zinc/61/93/85/390619385.db2.gz YVZKMXDXJKEHGW-UONOGXRCSA-N 2 2 298.390 0.938 20 0 CCADLP O=c1c2ccccc2ncn1CC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000522002676 390619388 /nfs/dbraw/zinc/61/93/88/390619388.db2.gz YVZKMXDXJKEHGW-UONOGXRCSA-N 2 2 298.390 0.938 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3ccc(F)c(F)c3)CCN2C1=O ZINC000566490095 390621911 /nfs/dbraw/zinc/62/19/11/390621911.db2.gz CNJYPECWHLBBNC-GWCFXTLKSA-N 2 2 281.306 0.709 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3ccc(F)c(F)c3)CCN2C1=O ZINC000566490095 390621915 /nfs/dbraw/zinc/62/19/15/390621915.db2.gz CNJYPECWHLBBNC-GWCFXTLKSA-N 2 2 281.306 0.709 20 0 CCADLP C[C@@H]([NH3+])CCC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000646265081 390653467 /nfs/dbraw/zinc/65/34/67/390653467.db2.gz KRZWTRIIRWFNGB-VXGBXAGGSA-N 2 2 262.357 0.904 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000646265261 390653557 /nfs/dbraw/zinc/65/35/57/390653557.db2.gz QKAMAACFEDPAGY-RYUDHWBXSA-N 2 2 278.356 0.140 20 0 CCADLP [NH3+][C@H](CC(F)F)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000646265003 390653863 /nfs/dbraw/zinc/65/38/63/390653863.db2.gz IHDGAXMLAXJMCT-VHSXEESVSA-N 2 2 284.310 0.759 20 0 CCADLP CN(C(=O)C[NH+]1CC(C)(C)C1)[C@H]1CCC[N@H+](C)C1 ZINC000566923255 390659391 /nfs/dbraw/zinc/65/93/91/390659391.db2.gz HCKHJZSVMYEZSU-LBPRGKRZSA-N 2 2 253.390 0.881 20 0 CCADLP CN(C(=O)C[NH+]1CC(C)(C)C1)[C@H]1CCC[N@@H+](C)C1 ZINC000566923255 390659395 /nfs/dbraw/zinc/65/93/95/390659395.db2.gz HCKHJZSVMYEZSU-LBPRGKRZSA-N 2 2 253.390 0.881 20 0 CCADLP C[NH+]1CCC2(CC1)C[N@H+](CC(=O)NC(C)(C)C)CCO2 ZINC000646103207 390597777 /nfs/dbraw/zinc/59/77/77/390597777.db2.gz IXOFFBMRLAHQES-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+]1CCC2(CC1)C[N@@H+](CC(=O)NC(C)(C)C)CCO2 ZINC000646103207 390597782 /nfs/dbraw/zinc/59/77/82/390597782.db2.gz IXOFFBMRLAHQES-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP Cn1cc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cn1 ZINC000646104252 390598144 /nfs/dbraw/zinc/59/81/44/390598144.db2.gz DZTJHULNOLENEB-UHFFFAOYSA-N 2 2 264.373 0.717 20 0 CCADLP Cn1cc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cn1 ZINC000646104252 390598149 /nfs/dbraw/zinc/59/81/49/390598149.db2.gz DZTJHULNOLENEB-UHFFFAOYSA-N 2 2 264.373 0.717 20 0 CCADLP COc1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)nn1 ZINC000646106626 390598903 /nfs/dbraw/zinc/59/89/03/390598903.db2.gz HEWLFJYPDDYPBN-UHFFFAOYSA-N 2 2 292.383 0.782 20 0 CCADLP COc1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)nn1 ZINC000646106626 390598906 /nfs/dbraw/zinc/59/89/06/390598906.db2.gz HEWLFJYPDDYPBN-UHFFFAOYSA-N 2 2 292.383 0.782 20 0 CCADLP OC1(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)CCOCC1 ZINC000566416144 390599534 /nfs/dbraw/zinc/59/95/34/390599534.db2.gz NOLDBEDUFGRFCF-UHFFFAOYSA-N 2 2 266.345 0.073 20 0 CCADLP Cc1nc(N)c(CNC(=O)C[N@H+]2CC[C@@H](C)C2)c[nH+]1 ZINC000521270723 390602923 /nfs/dbraw/zinc/60/29/23/390602923.db2.gz SCRGIYWUJYYGOH-SECBINFHSA-N 2 2 263.345 0.156 20 0 CCADLP Cc1nc(N)c(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)c[nH+]1 ZINC000521270723 390602928 /nfs/dbraw/zinc/60/29/28/390602928.db2.gz SCRGIYWUJYYGOH-SECBINFHSA-N 2 2 263.345 0.156 20 0 CCADLP Cc1cccn2cc(CCNC(=O)C3(C)C[NH2+]C3)[nH+]c12 ZINC000646138149 390616733 /nfs/dbraw/zinc/61/67/33/390616733.db2.gz DBOVLIHEVSOLKS-UHFFFAOYSA-N 2 2 272.352 0.911 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCc2ccccc2[C@H]1CO ZINC000567565619 390703925 /nfs/dbraw/zinc/70/39/25/390703925.db2.gz NVJPCIMPGXTMIF-GDBMZVCRSA-N 2 2 278.396 0.891 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCc2ccccc2[C@H]1CO ZINC000567565619 390703926 /nfs/dbraw/zinc/70/39/26/390703926.db2.gz NVJPCIMPGXTMIF-GDBMZVCRSA-N 2 2 278.396 0.891 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000567565619 390703927 /nfs/dbraw/zinc/70/39/27/390703927.db2.gz NVJPCIMPGXTMIF-GDBMZVCRSA-N 2 2 278.396 0.891 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCc2ccccc2[C@H]1CO ZINC000567565619 390703928 /nfs/dbraw/zinc/70/39/28/390703928.db2.gz NVJPCIMPGXTMIF-GDBMZVCRSA-N 2 2 278.396 0.891 20 0 CCADLP CNS(=O)(=O)CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000571389136 390733025 /nfs/dbraw/zinc/73/30/25/390733025.db2.gz CRBCNTVMWVFFGP-QWHCGFSZSA-N 2 2 289.445 0.532 20 0 CCADLP CNS(=O)(=O)CCC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000571389136 390733027 /nfs/dbraw/zinc/73/30/27/390733027.db2.gz CRBCNTVMWVFFGP-QWHCGFSZSA-N 2 2 289.445 0.532 20 0 CCADLP COCC[N@H+](C)CCNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000646795635 390720380 /nfs/dbraw/zinc/72/03/80/390720380.db2.gz XGVHHMHDJFAZNH-UHFFFAOYSA-N 2 2 268.361 0.382 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000646795635 390720381 /nfs/dbraw/zinc/72/03/81/390720381.db2.gz XGVHHMHDJFAZNH-UHFFFAOYSA-N 2 2 268.361 0.382 20 0 CCADLP COc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1F ZINC000566985829 390664494 /nfs/dbraw/zinc/66/44/94/390664494.db2.gz ZFMGJUHGVMWUSO-DGCLKSJQSA-N 2 2 293.342 0.578 20 0 CCADLP COc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1F ZINC000566985829 390664495 /nfs/dbraw/zinc/66/44/95/390664495.db2.gz ZFMGJUHGVMWUSO-DGCLKSJQSA-N 2 2 293.342 0.578 20 0 CCADLP COCC[N@@H+](C)CCCNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000567107052 390671791 /nfs/dbraw/zinc/67/17/91/390671791.db2.gz KPZBSTQQFCVPRF-NSHDSACASA-N 2 2 286.401 0.227 20 0 CCADLP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000646368462 390673833 /nfs/dbraw/zinc/67/38/33/390673833.db2.gz GESBHNCPLAQNHL-QWHCGFSZSA-N 2 2 297.362 0.949 20 0 CCADLP OC[C@H]1CCCN(c2cc(N[C@H]3CC[NH2+]C3)nc[nH+]2)C1 ZINC000567124670 390674278 /nfs/dbraw/zinc/67/42/78/390674278.db2.gz OQTQHDVXTFQZJV-RYUDHWBXSA-N 2 2 277.372 0.459 20 0 CCADLP [NH3+][C@H](C(=O)N1CCC2(CC[NH2+]C2)CC1)c1cscn1 ZINC000646372430 390674445 /nfs/dbraw/zinc/67/44/45/390674445.db2.gz JNDZFKBQEBOTTM-NSHDSACASA-N 2 2 280.397 0.745 20 0 CCADLP C[C@@H](CC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)n1cc[nH+]c1 ZINC000567241750 390682143 /nfs/dbraw/zinc/68/21/43/390682143.db2.gz IKYQAYQCXQIVGX-KBPBESRZSA-N 2 2 294.399 0.797 20 0 CCADLP C[C@@H](CC(=O)NC[C@@H]1CCCC[N@H+]1CCO)n1cc[nH+]c1 ZINC000567241750 390682145 /nfs/dbraw/zinc/68/21/45/390682145.db2.gz IKYQAYQCXQIVGX-KBPBESRZSA-N 2 2 294.399 0.797 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[NH+]2C2CC2)CCO1 ZINC000571354034 390732215 /nfs/dbraw/zinc/73/22/15/390732215.db2.gz GCLCGSCKXLENOE-OCCSQVGLSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[NH+]2C2CC2)CCO1 ZINC000571354034 390732217 /nfs/dbraw/zinc/73/22/17/390732217.db2.gz GCLCGSCKXLENOE-OCCSQVGLSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)CCO1 ZINC000571354034 390732218 /nfs/dbraw/zinc/73/22/18/390732218.db2.gz GCLCGSCKXLENOE-OCCSQVGLSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@H+]2C2CC2)CCO1 ZINC000571354034 390732220 /nfs/dbraw/zinc/73/22/20/390732220.db2.gz GCLCGSCKXLENOE-OCCSQVGLSA-N 2 2 281.400 0.450 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)CCc1c[nH+]cn1C ZINC000527240364 390698033 /nfs/dbraw/zinc/69/80/33/390698033.db2.gz AGVQSIKNMUNQKO-UHFFFAOYSA-N 2 2 261.329 0.674 20 0 CCADLP C[C@H](C[NH3+])NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000646970188 390751541 /nfs/dbraw/zinc/75/15/41/390751541.db2.gz MRQNGCWYRCYLDV-GFCCVEGCSA-N 2 2 272.352 0.937 20 0 CCADLP CO[C@H](C)CC[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000571875417 390756790 /nfs/dbraw/zinc/75/67/90/390756790.db2.gz ORALESRRDAZIRB-YIYPIFLZSA-N 2 2 274.405 0.471 20 0 CCADLP CO[C@H](C)CC[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000571875417 390756792 /nfs/dbraw/zinc/75/67/92/390756792.db2.gz ORALESRRDAZIRB-YIYPIFLZSA-N 2 2 274.405 0.471 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000571879642 390756981 /nfs/dbraw/zinc/75/69/81/390756981.db2.gz YPQUBLWWNHVIPG-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000571879642 390756983 /nfs/dbraw/zinc/75/69/83/390756983.db2.gz YPQUBLWWNHVIPG-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP CN1CC[NH2+]C[C@@H]1CNc1cc[nH+]c2ccncc12 ZINC000571899003 390758356 /nfs/dbraw/zinc/75/83/56/390758356.db2.gz ZDCFXPNQNQQMOQ-LLVKDONJSA-N 2 2 257.341 0.367 20 0 CCADLP [NH3+]Cc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)o1 ZINC000647028429 390760416 /nfs/dbraw/zinc/76/04/16/390760416.db2.gz LXCUCYCVSXHMHV-ZDUSSCGKSA-N 2 2 286.335 0.920 20 0 CCADLP [NH3+]Cc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)o1 ZINC000647028428 390760505 /nfs/dbraw/zinc/76/05/05/390760505.db2.gz LXCUCYCVSXHMHV-CYBMUJFWSA-N 2 2 286.335 0.920 20 0 CCADLP C[N@@H+]1CCO[C@H]2CCN(C(=O)NCC[C@H]3CCC[NH2+]3)C[C@H]21 ZINC000572104157 390767761 /nfs/dbraw/zinc/76/77/61/390767761.db2.gz JXMCPMPDJGJSRC-MCIONIFRSA-N 2 2 296.415 0.243 20 0 CCADLP C[N@H+]1CCO[C@H]2CCN(C(=O)NCC[C@H]3CCC[NH2+]3)C[C@H]21 ZINC000572104157 390767762 /nfs/dbraw/zinc/76/77/62/390767762.db2.gz JXMCPMPDJGJSRC-MCIONIFRSA-N 2 2 296.415 0.243 20 0 CCADLP O=C(NC[C@@H]1COCC[NH2+]1)Nc1ccn2cc[nH+]c2c1 ZINC000528686788 390768439 /nfs/dbraw/zinc/76/84/39/390768439.db2.gz DAWSQPNLDPCPKJ-LLVKDONJSA-N 2 2 275.312 0.444 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C[C@@H]1CCOC1)C1CC1 ZINC000572199844 390772371 /nfs/dbraw/zinc/77/23/71/390772371.db2.gz YFVNKMKBJDEXKD-DZGCQCFKSA-N 2 2 286.416 0.426 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C[C@@H]1CCOC1)C1CC1 ZINC000572199844 390772374 /nfs/dbraw/zinc/77/23/74/390772374.db2.gz YFVNKMKBJDEXKD-DZGCQCFKSA-N 2 2 286.416 0.426 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000572199844 390772377 /nfs/dbraw/zinc/77/23/77/390772377.db2.gz YFVNKMKBJDEXKD-DZGCQCFKSA-N 2 2 286.416 0.426 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000572199844 390772378 /nfs/dbraw/zinc/77/23/78/390772378.db2.gz YFVNKMKBJDEXKD-DZGCQCFKSA-N 2 2 286.416 0.426 20 0 CCADLP CCOC[C@H]1C[N@H+](CCc2c[nH+]cn2C)CCO1 ZINC000528730897 390772455 /nfs/dbraw/zinc/77/24/55/390772455.db2.gz HZJJQGOOJHIVCG-CYBMUJFWSA-N 2 2 253.346 0.700 20 0 CCADLP CCOC[C@H]1C[N@@H+](CCc2c[nH+]cn2C)CCO1 ZINC000528730897 390772457 /nfs/dbraw/zinc/77/24/57/390772457.db2.gz HZJJQGOOJHIVCG-CYBMUJFWSA-N 2 2 253.346 0.700 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528781253 390777506 /nfs/dbraw/zinc/77/75/06/390777506.db2.gz BBKGCMNRZUBENL-ZIVKBKJYSA-N 2 2 274.430 0.284 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528781253 390777508 /nfs/dbraw/zinc/77/75/08/390777508.db2.gz BBKGCMNRZUBENL-ZIVKBKJYSA-N 2 2 274.430 0.284 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528781253 390777509 /nfs/dbraw/zinc/77/75/09/390777509.db2.gz BBKGCMNRZUBENL-ZIVKBKJYSA-N 2 2 274.430 0.284 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528781253 390777511 /nfs/dbraw/zinc/77/75/11/390777511.db2.gz BBKGCMNRZUBENL-ZIVKBKJYSA-N 2 2 274.430 0.284 20 0 CCADLP COc1ncncc1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000647174807 390782558 /nfs/dbraw/zinc/78/25/58/390782558.db2.gz NGCQHALRBSDGNP-UHFFFAOYSA-N 2 2 280.372 0.422 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)CO1 ZINC000647183853 390784411 /nfs/dbraw/zinc/78/44/11/390784411.db2.gz PVKNDBKNRABIAU-KFWWJZLASA-N 2 2 283.416 0.160 20 0 CCADLP CC(C)Cn1nccc1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000647196210 390786112 /nfs/dbraw/zinc/78/61/12/390786112.db2.gz SWHQOJUSMXVIBQ-AWEZNQCLSA-N 2 2 268.405 0.941 20 0 CCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC(n2cc[nH+]c2)C1 ZINC000572527570 390788016 /nfs/dbraw/zinc/78/80/16/390788016.db2.gz CEQVKSHLPIQINN-NSHDSACASA-N 2 2 271.324 0.726 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CO1 ZINC000647210549 390789802 /nfs/dbraw/zinc/78/98/02/390789802.db2.gz MSIVTBPGFOSQHC-DYALRZPUSA-N 2 2 295.427 0.837 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CO1 ZINC000647210549 390789803 /nfs/dbraw/zinc/78/98/03/390789803.db2.gz MSIVTBPGFOSQHC-DYALRZPUSA-N 2 2 295.427 0.837 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[N@@H+]1CCCOCC1 ZINC000529125053 390793897 /nfs/dbraw/zinc/79/38/97/390793897.db2.gz SZJSYLULBHVXDM-UHFFFAOYSA-N 2 2 266.345 0.030 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[N@H+]1CCCOCC1 ZINC000529125053 390793899 /nfs/dbraw/zinc/79/38/99/390793899.db2.gz SZJSYLULBHVXDM-UHFFFAOYSA-N 2 2 266.345 0.030 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000529168261 390796535 /nfs/dbraw/zinc/79/65/35/390796535.db2.gz GCRFHFPGZZDOHQ-UHFFFAOYSA-N 2 2 278.356 0.173 20 0 CCADLP CC[C@@H]([NH3+])C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000572756662 390801735 /nfs/dbraw/zinc/80/17/35/390801735.db2.gz WDNDRNLQPPXIMK-SSDOTTSWSA-N 2 2 264.251 0.799 20 0 CCADLP CC[N@H+](CCN1CC[NH2+]CC1)[C@H](C)CS(=O)(=O)CC ZINC000571443400 390736095 /nfs/dbraw/zinc/73/60/95/390736095.db2.gz FKEDIWCAAZZJNJ-CYBMUJFWSA-N 2 2 291.461 0.037 20 0 CCADLP CC[N@@H+](CCN1CC[NH2+]CC1)[C@H](C)CS(=O)(=O)CC ZINC000571443400 390736098 /nfs/dbraw/zinc/73/60/98/390736098.db2.gz FKEDIWCAAZZJNJ-CYBMUJFWSA-N 2 2 291.461 0.037 20 0 CCADLP C[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCOCC3)[C@@H]2C1 ZINC000646912587 390738614 /nfs/dbraw/zinc/73/86/14/390738614.db2.gz XYVZVYOHXHZWJB-QWHCGFSZSA-N 2 2 281.400 0.260 20 0 CCADLP C[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCOCC3)[C@@H]2C1 ZINC000646912587 390738615 /nfs/dbraw/zinc/73/86/15/390738615.db2.gz XYVZVYOHXHZWJB-QWHCGFSZSA-N 2 2 281.400 0.260 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@@]2(C)CCOC2)C[C@H](C)O1 ZINC000578232394 390871788 /nfs/dbraw/zinc/87/17/88/390871788.db2.gz QYQYBGWTXFJMBL-LXTVHRRPSA-N 2 2 286.416 0.473 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@@]2(C)CCOC2)C[C@H](C)O1 ZINC000578232394 390871789 /nfs/dbraw/zinc/87/17/89/390871789.db2.gz QYQYBGWTXFJMBL-LXTVHRRPSA-N 2 2 286.416 0.473 20 0 CCADLP C[C@H]1C[N@H+](CCC[NH2+]C[C@@H](O)C[NH+](C)C2CC2)CCCO1 ZINC000572993102 390817277 /nfs/dbraw/zinc/81/72/77/390817277.db2.gz NXCZDIJUXXYXPP-GOEBONIOSA-N 3 2 299.459 0.532 20 0 CCADLP C[C@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)C[NH+](C)C2CC2)CCCO1 ZINC000572993102 390817282 /nfs/dbraw/zinc/81/72/82/390817282.db2.gz NXCZDIJUXXYXPP-GOEBONIOSA-N 3 2 299.459 0.532 20 0 CCADLP C[C@H]1C[NH+](CCC[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CCCO1 ZINC000572993102 390817285 /nfs/dbraw/zinc/81/72/85/390817285.db2.gz NXCZDIJUXXYXPP-GOEBONIOSA-N 3 2 299.459 0.532 20 0 CCADLP C[C@H]1C[NH+](CCC[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CCCO1 ZINC000572993102 390817286 /nfs/dbraw/zinc/81/72/86/390817286.db2.gz NXCZDIJUXXYXPP-GOEBONIOSA-N 3 2 299.459 0.532 20 0 CCADLP O=C(NC[C@@H]1COCC[NH2+]1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000529376500 390823509 /nfs/dbraw/zinc/82/35/09/390823509.db2.gz RHUIEGOKECQEOQ-GFCCVEGCSA-N 2 2 293.371 0.287 20 0 CCADLP O=C(NC[C@@H]1COCC[NH2+]1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000529376500 390823512 /nfs/dbraw/zinc/82/35/12/390823512.db2.gz RHUIEGOKECQEOQ-GFCCVEGCSA-N 2 2 293.371 0.287 20 0 CCADLP C[C@@H](CC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)n1cc[nH+]c1 ZINC000574920306 390825114 /nfs/dbraw/zinc/82/51/14/390825114.db2.gz FZUSBOFTCAGKFU-STQMWFEESA-N 2 2 280.372 0.671 20 0 CCADLP C[C@@H](CC(=O)NCC[N@H+]1CCO[C@@H](C)C1)n1cc[nH+]c1 ZINC000574920306 390825116 /nfs/dbraw/zinc/82/51/16/390825116.db2.gz FZUSBOFTCAGKFU-STQMWFEESA-N 2 2 280.372 0.671 20 0 CCADLP CN(CCC[N@H+](C)Cc1nncn1C)CC[NH+](C)C ZINC000574940753 390826804 /nfs/dbraw/zinc/82/68/04/390826804.db2.gz WRJBQUXYUIYLQZ-UHFFFAOYSA-N 2 2 268.409 0.130 20 0 CCADLP CN(CCC[N@@H+](C)Cc1nncn1C)CC[NH+](C)C ZINC000574940753 390826808 /nfs/dbraw/zinc/82/68/08/390826808.db2.gz WRJBQUXYUIYLQZ-UHFFFAOYSA-N 2 2 268.409 0.130 20 0 CCADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)C1 ZINC000647515925 390827686 /nfs/dbraw/zinc/82/76/86/390827686.db2.gz BLEVYGDGRDABCG-CVEARBPZSA-N 3 2 280.460 0.698 20 0 CCADLP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)C1 ZINC000647515925 390827688 /nfs/dbraw/zinc/82/76/88/390827688.db2.gz BLEVYGDGRDABCG-CVEARBPZSA-N 3 2 280.460 0.698 20 0 CCADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)[C@@H](O)C(F)(F)F ZINC000647515075 390827750 /nfs/dbraw/zinc/82/77/50/390827750.db2.gz ONUBCXIWXRGSEI-FXBDTBDDSA-N 2 2 270.295 0.343 20 0 CCADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H](O)C(F)(F)F ZINC000647515075 390827752 /nfs/dbraw/zinc/82/77/52/390827752.db2.gz ONUBCXIWXRGSEI-FXBDTBDDSA-N 2 2 270.295 0.343 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000577940401 390853561 /nfs/dbraw/zinc/85/35/61/390853561.db2.gz JQOSCLCQKWNKOL-HUUCEWRRSA-N 3 2 296.459 0.648 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000577940401 390853563 /nfs/dbraw/zinc/85/35/63/390853563.db2.gz JQOSCLCQKWNKOL-HUUCEWRRSA-N 3 2 296.459 0.648 20 0 CCADLP C[C@@H](CNC(=O)COC1CC[NH2+]CC1)Cn1cc[nH+]c1 ZINC000578774873 390902090 /nfs/dbraw/zinc/90/20/90/390902090.db2.gz TVJMRWPZIYRMLR-LBPRGKRZSA-N 2 2 280.372 0.404 20 0 CCADLP COc1cccc(/C=C\C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000493643699 533388799 /nfs/dbraw/zinc/38/87/99/533388799.db2.gz CGCKOPVZBMBEIM-LMVHVUTASA-N 2 2 289.379 0.810 20 0 CCADLP COc1cccc(/C=C\C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000493643699 533388801 /nfs/dbraw/zinc/38/88/01/533388801.db2.gz CGCKOPVZBMBEIM-LMVHVUTASA-N 2 2 289.379 0.810 20 0 CCADLP Cc1cc(C[NH+]2CCN(C(=O)/C=C\C[NH+](C)C)CC2)on1 ZINC000491892879 533607026 /nfs/dbraw/zinc/60/70/26/533607026.db2.gz MUDGFJROANDYAC-PLNGDYQASA-N 2 2 292.383 0.745 20 0 CCADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[NH2+]CCO2)[C@H]1C ZINC000423578883 533636573 /nfs/dbraw/zinc/63/65/73/533636573.db2.gz VDYYJFYGTPQASD-RVMXOQNASA-N 2 2 270.373 0.542 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C1CC(CF)(CF)C1 ZINC000657879879 413071647 /nfs/dbraw/zinc/07/16/47/413071647.db2.gz MXVZTZCCYLBHOZ-LBPRGKRZSA-N 2 2 261.360 0.910 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C1CC(CF)(CF)C1 ZINC000657879879 413071651 /nfs/dbraw/zinc/07/16/51/413071651.db2.gz MXVZTZCCYLBHOZ-LBPRGKRZSA-N 2 2 261.360 0.910 20 0 CCADLP C[C@@H](Cn1cncn1)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000657898955 413073839 /nfs/dbraw/zinc/07/38/39/413073839.db2.gz SCECPRARYVJEDU-NWDGAFQWSA-N 2 2 269.418 0.694 20 0 CCADLP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530219040 285573164 /nfs/dbraw/zinc/57/31/64/285573164.db2.gz YTJNWPGQNUDEER-ZDEQEGDKSA-N 3 2 253.390 0.613 20 0 CCADLP CCc1cc(N2CC[NH+](CCO)CC2)nc(C)[nH+]1 ZINC000088058260 135052247 /nfs/dbraw/zinc/05/22/47/135052247.db2.gz PTBDKUQKOQZAGW-UHFFFAOYSA-N 2 2 250.346 0.462 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000092136253 135075938 /nfs/dbraw/zinc/07/59/38/135075938.db2.gz BBTZTWXMVICPMM-GFCCVEGCSA-N 2 2 292.383 0.390 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NCC3CC3)C2)CC1 ZINC000171529757 335068999 /nfs/dbraw/zinc/06/89/99/335068999.db2.gz GPNBRYDNHNOUCQ-HNNXBMFYSA-N 2 2 294.443 0.224 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NCC3CC3)C2)CC1 ZINC000171529757 335069000 /nfs/dbraw/zinc/06/90/00/335069000.db2.gz GPNBRYDNHNOUCQ-HNNXBMFYSA-N 2 2 294.443 0.224 20 0 CCADLP COCCCNC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917738 397390150 /nfs/dbraw/zinc/39/01/50/397390150.db2.gz PVUFMMZZKBZWTP-KBPBESRZSA-N 2 2 283.416 0.603 20 0 CCADLP COCCCNC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917738 397390155 /nfs/dbraw/zinc/39/01/55/397390155.db2.gz PVUFMMZZKBZWTP-KBPBESRZSA-N 2 2 283.416 0.603 20 0 CCADLP CC[C@@H](C(N)=O)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000115546367 397411501 /nfs/dbraw/zinc/41/15/01/397411501.db2.gz OBAPKXKCIFNAPV-LBPRGKRZSA-N 2 2 257.378 0.029 20 0 CCADLP CC[C@@H](C(N)=O)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000115546367 397411504 /nfs/dbraw/zinc/41/15/04/397411504.db2.gz OBAPKXKCIFNAPV-LBPRGKRZSA-N 2 2 257.378 0.029 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCC1([NH+](C)C)CCC1 ZINC000356855178 144038778 /nfs/dbraw/zinc/03/87/78/144038778.db2.gz XLUBTHNQLXKMPS-UHFFFAOYSA-N 2 2 298.431 0.043 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCC1([NH+](C)C)CCC1 ZINC000356855178 144038779 /nfs/dbraw/zinc/03/87/79/144038779.db2.gz XLUBTHNQLXKMPS-UHFFFAOYSA-N 2 2 298.431 0.043 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)C1 ZINC000356998322 144049393 /nfs/dbraw/zinc/04/93/93/144049393.db2.gz NZSUUXRPKFWQEA-NWDGAFQWSA-N 2 2 280.372 0.944 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)C1 ZINC000356998322 144049395 /nfs/dbraw/zinc/04/93/95/144049395.db2.gz NZSUUXRPKFWQEA-NWDGAFQWSA-N 2 2 280.372 0.944 20 0 CCADLP [NH3+]CCOCC[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000357068054 144056393 /nfs/dbraw/zinc/05/63/93/144056393.db2.gz FVUBEPBKGGKEMG-SNVBAGLBSA-N 2 2 257.359 0.492 20 0 CCADLP [NH3+]CCOCC[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000357068054 144056394 /nfs/dbraw/zinc/05/63/94/144056394.db2.gz FVUBEPBKGGKEMG-SNVBAGLBSA-N 2 2 257.359 0.492 20 0 CCADLP C[C@@H](C(=O)NCCCNc1cccc[nH+]1)C1C[NH2+]C1 ZINC000357177427 144067202 /nfs/dbraw/zinc/06/72/02/144067202.db2.gz PHOFUJGPNNLEPN-LLVKDONJSA-N 2 2 262.357 0.855 20 0 CCADLP C[C@@H](C(=O)NCc1ccn2cc[nH+]c2c1)C1C[NH2+]C1 ZINC000357234510 144071201 /nfs/dbraw/zinc/07/12/01/144071201.db2.gz APRXKSMOOFTXEV-SNVBAGLBSA-N 2 2 258.325 0.806 20 0 CCADLP C[C@@H](C[NH3+])C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000357242506 144072473 /nfs/dbraw/zinc/07/24/73/144072473.db2.gz OYZRNMPSPMBLIW-STQMWFEESA-N 2 2 269.389 0.295 20 0 CCADLP C[N@H+](CC(=O)NCc1ccco1)C1CC[NH+](CCO)CC1 ZINC000357647961 144108589 /nfs/dbraw/zinc/10/85/89/144108589.db2.gz NCLBIPVRTGAQSP-UHFFFAOYSA-N 2 2 295.383 0.284 20 0 CCADLP C[N@@H+](CC(=O)NCc1ccco1)C1CC[NH+](CCO)CC1 ZINC000357647961 144108590 /nfs/dbraw/zinc/10/85/90/144108590.db2.gz NCLBIPVRTGAQSP-UHFFFAOYSA-N 2 2 295.383 0.284 20 0 CCADLP COCC(=O)N1CCC([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000358043929 144144682 /nfs/dbraw/zinc/14/46/82/144144682.db2.gz XDCMKFKBOJUFBR-SWLSCSKDSA-N 2 2 295.427 0.696 20 0 CCADLP COCC(=O)N1CCC([NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000358043929 144144684 /nfs/dbraw/zinc/14/46/84/144144684.db2.gz XDCMKFKBOJUFBR-SWLSCSKDSA-N 2 2 295.427 0.696 20 0 CCADLP COCC1(C)CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000358754734 144178181 /nfs/dbraw/zinc/17/81/81/144178181.db2.gz UFKRETIYSZDTEA-UHFFFAOYSA-N 2 2 283.416 0.509 20 0 CCADLP COC(=O)c1cn([C@@H]2CC[N@H+](CCn3cc[nH+]c3)C2)nn1 ZINC000368190066 144211144 /nfs/dbraw/zinc/21/11/44/144211144.db2.gz SUTLAJGZFSWRLC-LLVKDONJSA-N 2 2 290.327 0.208 20 0 CCADLP COC(=O)c1cn([C@@H]2CC[N@@H+](CCn3cc[nH+]c3)C2)nn1 ZINC000368190066 144211145 /nfs/dbraw/zinc/21/11/45/144211145.db2.gz SUTLAJGZFSWRLC-LLVKDONJSA-N 2 2 290.327 0.208 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)N1CC[NH+]2CCC1CC2 ZINC000368497309 144228393 /nfs/dbraw/zinc/22/83/93/144228393.db2.gz XPQFPVNWVYSTLZ-UHFFFAOYSA-N 2 2 277.372 0.763 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(CC(N)=O)CC1 ZINC000382449772 397490240 /nfs/dbraw/zinc/49/02/40/397490240.db2.gz SYIXTUFPLSJHSA-ZDUSSCGKSA-N 2 2 271.405 0.275 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(CC(N)=O)CC1 ZINC000382449772 397490246 /nfs/dbraw/zinc/49/02/46/397490246.db2.gz SYIXTUFPLSJHSA-ZDUSSCGKSA-N 2 2 271.405 0.275 20 0 CCADLP C[C@@H]1C[N@H+](Cc2cc[nH]n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370702755 144312782 /nfs/dbraw/zinc/31/27/82/144312782.db2.gz RDQVNWQYQQRQSR-HIFRSBDPSA-N 2 2 277.416 0.868 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2cc[nH]n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370702755 144312783 /nfs/dbraw/zinc/31/27/83/144312783.db2.gz RDQVNWQYQQRQSR-HIFRSBDPSA-N 2 2 277.416 0.868 20 0 CCADLP C[C@H]1C[N@H+](Cc2ccnn2C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370695538 144312852 /nfs/dbraw/zinc/31/28/52/144312852.db2.gz BHJXDUCVYSFCMI-GOEBONIOSA-N 2 2 291.443 0.878 20 0 CCADLP C[C@H]1C[N@@H+](Cc2ccnn2C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370695538 144312853 /nfs/dbraw/zinc/31/28/53/144312853.db2.gz BHJXDUCVYSFCMI-GOEBONIOSA-N 2 2 291.443 0.878 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000370755625 144315354 /nfs/dbraw/zinc/31/53/54/144315354.db2.gz FCQGBARYHRXYFK-NSHDSACASA-N 2 2 273.340 0.739 20 0 CCADLP Nc1ccnc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000372175540 144356438 /nfs/dbraw/zinc/35/64/38/144356438.db2.gz KRTFGEPGCZDXHP-LLVKDONJSA-N 2 2 258.329 0.923 20 0 CCADLP Nc1ccnc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000372175540 144356439 /nfs/dbraw/zinc/35/64/39/144356439.db2.gz KRTFGEPGCZDXHP-LLVKDONJSA-N 2 2 258.329 0.923 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N=c1ccn(C2CC[NH+](C)CC2)[nH]1 ZINC000373256500 144399295 /nfs/dbraw/zinc/39/92/95/144399295.db2.gz OJHVAMQBZIZOKA-UHFFFAOYSA-N 2 2 293.415 0.850 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N=c1ccn(C2CC[NH+](C)CC2)[nH]1 ZINC000373256500 144399297 /nfs/dbraw/zinc/39/92/97/144399297.db2.gz OJHVAMQBZIZOKA-UHFFFAOYSA-N 2 2 293.415 0.850 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)CCc1c[nH+]cn1C ZINC000526983346 397571822 /nfs/dbraw/zinc/57/18/22/397571822.db2.gz VQLQYESRZAHROK-NSHDSACASA-N 2 2 261.329 0.754 20 0 CCADLP Cc1nsc(N2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)n1 ZINC000649413899 397607919 /nfs/dbraw/zinc/60/79/19/397607919.db2.gz QHTLXTWRLIQXEH-NSHDSACASA-N 2 2 267.402 0.578 20 0 CCADLP C([C@@H]1CC[NH2+]C1)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000649413966 397608150 /nfs/dbraw/zinc/60/81/50/397608150.db2.gz ZNIMBLXYNXPZSO-KGLIPLIRSA-N 3 2 253.390 0.250 20 0 CCADLP C([C@@H]1CC[NH2+]C1)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000649413966 397608151 /nfs/dbraw/zinc/60/81/51/397608151.db2.gz ZNIMBLXYNXPZSO-KGLIPLIRSA-N 3 2 253.390 0.250 20 0 CCADLP CC[C@H]1C[N@H+](CC(=O)NCc2cccnc2)CC[C@@H]1[NH3+] ZINC000649416763 397609462 /nfs/dbraw/zinc/60/94/62/397609462.db2.gz LKSYYIFCPWAENZ-KBPBESRZSA-N 2 2 276.384 0.757 20 0 CCADLP CC[C@H]1C[N@@H+](CC(=O)NCc2cccnc2)CC[C@@H]1[NH3+] ZINC000649416763 397609467 /nfs/dbraw/zinc/60/94/67/397609467.db2.gz LKSYYIFCPWAENZ-KBPBESRZSA-N 2 2 276.384 0.757 20 0 CCADLP COc1cc[nH+]c(CN2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000649687721 397656846 /nfs/dbraw/zinc/65/68/46/397656846.db2.gz CBEIIFSAIWVATJ-UHFFFAOYSA-N 2 2 292.383 0.296 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](CCOc2ccccc2)CC1=O ZINC000649688923 397656908 /nfs/dbraw/zinc/65/69/08/397656908.db2.gz SVCRFCLZNRIODH-UHFFFAOYSA-N 2 2 291.395 0.771 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](CCOc2ccccc2)CC1=O ZINC000649688923 397656909 /nfs/dbraw/zinc/65/69/09/397656909.db2.gz SVCRFCLZNRIODH-UHFFFAOYSA-N 2 2 291.395 0.771 20 0 CCADLP CCO[C@@H]1CN(C(=O)N[C@H](C)Cn2cc[nH+]c2)C[C@H]1C[NH3+] ZINC000649480653 397619088 /nfs/dbraw/zinc/61/90/88/397619088.db2.gz NRCPVSNRTHJFLO-JHJVBQTASA-N 2 2 295.387 0.277 20 0 CCADLP Cc1cncc(CC[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC000649541029 397631655 /nfs/dbraw/zinc/63/16/55/397631655.db2.gz OKCURFUXTPEWHU-OAHLLOKOSA-N 2 2 290.411 0.982 20 0 CCADLP Cc1cncc(CC[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC000649541029 397631657 /nfs/dbraw/zinc/63/16/57/397631657.db2.gz OKCURFUXTPEWHU-OAHLLOKOSA-N 2 2 290.411 0.982 20 0 CCADLP CC[C@H]1COC(C)(C)C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000649714783 397659172 /nfs/dbraw/zinc/65/91/72/397659172.db2.gz LXPHXEYDOLWUPV-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@H]1COC(C)(C)C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000649714783 397659173 /nfs/dbraw/zinc/65/91/73/397659173.db2.gz LXPHXEYDOLWUPV-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)[C@@H](C)C1 ZINC000649587384 397640521 /nfs/dbraw/zinc/64/05/21/397640521.db2.gz IHKOOSQNFALKGI-YUTCNCBUSA-N 2 2 253.390 0.927 20 0 CCADLP CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000649587384 397640523 /nfs/dbraw/zinc/64/05/23/397640523.db2.gz IHKOOSQNFALKGI-YUTCNCBUSA-N 2 2 253.390 0.927 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NC[C@H]1CCCC[N@H+]1CCO ZINC000650595792 397734879 /nfs/dbraw/zinc/73/48/79/397734879.db2.gz NLDMLZHWGLZAKX-CQSZACIVSA-N 2 2 294.399 0.626 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NC[C@H]1CCCC[N@@H+]1CCO ZINC000650595792 397734884 /nfs/dbraw/zinc/73/48/84/397734884.db2.gz NLDMLZHWGLZAKX-CQSZACIVSA-N 2 2 294.399 0.626 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCC1CC[NH2+]CC1 ZINC000650761741 397754046 /nfs/dbraw/zinc/75/40/46/397754046.db2.gz JBKUQASXDTVDIE-TZMCWYRMSA-N 3 2 255.406 0.733 20 0 CCADLP C[C@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)[NH+](C)C ZINC000651089602 397824197 /nfs/dbraw/zinc/82/41/97/397824197.db2.gz KSEUYKSLUAOHGI-LLVKDONJSA-N 2 2 264.373 0.828 20 0 CCADLP COCC(C)(C)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000494017906 292197053 /nfs/dbraw/zinc/19/70/53/292197053.db2.gz OAJXQGNOPSDSSO-LBPRGKRZSA-N 2 2 271.405 0.588 20 0 CCADLP COCC(C)(C)C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000494017906 292197055 /nfs/dbraw/zinc/19/70/55/292197055.db2.gz OAJXQGNOPSDSSO-LBPRGKRZSA-N 2 2 271.405 0.588 20 0 CCADLP C[C@H](CNC(=O)CCc1c[nH+]cn1C)[NH+]1CCCC1 ZINC000549556405 286094636 /nfs/dbraw/zinc/09/46/36/286094636.db2.gz IEHQYEHNHCOFCQ-GFCCVEGCSA-N 2 2 264.373 0.953 20 0 CCADLP C[C@H](C(=O)NCCCC[NH+]1CCOCC1)[NH+]1CC(C)C1 ZINC000552998027 286177790 /nfs/dbraw/zinc/17/77/90/286177790.db2.gz NOYNVWICSREKSH-CQSZACIVSA-N 2 2 283.416 0.555 20 0 CCADLP COCC1(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)CCOCC1 ZINC000491591597 292250186 /nfs/dbraw/zinc/25/01/86/292250186.db2.gz MRULDHHXPQGTEE-OLZOCXBDSA-N 2 2 256.390 0.969 20 0 CCADLP COCC1(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CCOCC1 ZINC000491591597 292250187 /nfs/dbraw/zinc/25/01/87/292250187.db2.gz MRULDHHXPQGTEE-OLZOCXBDSA-N 2 2 256.390 0.969 20 0 CCADLP CCO[C@@H]1C[C@@H]([NH2+]CC[NH2+]CCOC)C12CCOCC2 ZINC000423329279 286281896 /nfs/dbraw/zinc/28/18/96/286281896.db2.gz LCLSFFXAHWNJHV-ZIAGYGMSSA-N 2 2 286.416 0.786 20 0 CCADLP CCO[C@@H]1C[C@H]([NH2+]CC[NH2+]CCOC)C12CCOCC2 ZINC000423329277 286386857 /nfs/dbraw/zinc/38/68/57/286386857.db2.gz LCLSFFXAHWNJHV-UONOGXRCSA-N 2 2 286.416 0.786 20 0 CCADLP [NH3+]CC12CC(C1)CN2C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000659100717 413282765 /nfs/dbraw/zinc/28/27/65/413282765.db2.gz RECLFVAYOUWHST-UHFFFAOYSA-N 2 2 299.334 0.223 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000162241985 286624781 /nfs/dbraw/zinc/62/47/81/286624781.db2.gz MADCKOIDCJGRKP-WDEREUQCSA-N 2 2 250.408 0.739 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000423150271 286893748 /nfs/dbraw/zinc/89/37/48/286893748.db2.gz IMWQAXJMYKZSKS-ZQDZILKHSA-N 2 2 283.416 0.206 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659357671 413442075 /nfs/dbraw/zinc/44/20/75/413442075.db2.gz LPHWXYYAGNTRCJ-RDBSUJKOSA-N 2 2 281.400 0.308 20 0 CCADLP Cc1cc(CNC(=O)[C@H]2[NH2+]CCO[C@@H]2C)cc(C)[nH+]1 ZINC000424064096 533677989 /nfs/dbraw/zinc/67/79/89/533677989.db2.gz VFRPGSYZGRDRCB-YPMHNXCESA-N 2 2 263.341 0.692 20 0 CCADLP Cc1cccc(OCCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000124332843 411713279 /nfs/dbraw/zinc/71/32/79/411713279.db2.gz PFEQMAXVOBORIQ-CQSZACIVSA-N 2 2 291.395 0.865 20 0 CCADLP Cc1cccc(OCCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000124332843 411713286 /nfs/dbraw/zinc/71/32/86/411713286.db2.gz PFEQMAXVOBORIQ-CQSZACIVSA-N 2 2 291.395 0.865 20 0 CCADLP CC1(C)C[NH2+]CC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000310776414 411748060 /nfs/dbraw/zinc/74/80/60/411748060.db2.gz PVFYJWDLGRWCBD-NSHDSACASA-N 2 2 250.346 0.778 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400968124 411780321 /nfs/dbraw/zinc/78/03/21/411780321.db2.gz OWLXZZDRXPBSDH-LXTVHRRPSA-N 3 2 266.433 0.210 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400968124 411780326 /nfs/dbraw/zinc/78/03/26/411780326.db2.gz OWLXZZDRXPBSDH-LXTVHRRPSA-N 3 2 266.433 0.210 20 0 CCADLP CCO[C@@H]1C[N@H+](CC(=O)Nc2ccccc2)C[C@H]1C[NH3+] ZINC000405291319 411799590 /nfs/dbraw/zinc/79/95/90/411799590.db2.gz HNAGPSOKGJRVHU-TZMCWYRMSA-N 2 2 277.368 0.921 20 0 CCADLP CCO[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2)C[C@H]1C[NH3+] ZINC000405291319 411799595 /nfs/dbraw/zinc/79/95/95/411799595.db2.gz HNAGPSOKGJRVHU-TZMCWYRMSA-N 2 2 277.368 0.921 20 0 CCADLP O=C([C@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCn2cc[nH+]c2C1 ZINC000407445945 411808867 /nfs/dbraw/zinc/80/88/67/411808867.db2.gz XLRLGJMFEWMXFJ-NWDGAFQWSA-N 2 2 260.341 0.756 20 0 CCADLP C[C@H](CCCCO)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000651380051 411857209 /nfs/dbraw/zinc/85/72/09/411857209.db2.gz ZDYIIAIBOGQYIH-KGLIPLIRSA-N 2 2 258.406 0.974 20 0 CCADLP C[C@H](CCCCO)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000651380051 411857214 /nfs/dbraw/zinc/85/72/14/411857214.db2.gz ZDYIIAIBOGQYIH-KGLIPLIRSA-N 2 2 258.406 0.974 20 0 CCADLP CCc1cc(N2CC([N@H+]3CC[C@@H](O)C3)C2)nc(C)[nH+]1 ZINC000651452256 411876185 /nfs/dbraw/zinc/87/61/85/411876185.db2.gz FDAORLUDPIFTDB-CYBMUJFWSA-N 2 2 262.357 0.603 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCCC1(C[NH3+])CC1 ZINC000652127939 411989410 /nfs/dbraw/zinc/98/94/10/411989410.db2.gz JKBKZYSBTGQJSV-GFCCVEGCSA-N 2 2 284.404 0.135 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCC1CC[NH2+]CC1 ZINC000652128051 411989771 /nfs/dbraw/zinc/98/97/71/411989771.db2.gz MXAPHJXJKFIQBH-ZDUSSCGKSA-N 2 2 298.431 0.396 20 0 CCADLP CO[C@@H]1CCCC[C@H]1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000652306889 412024970 /nfs/dbraw/zinc/02/49/70/412024970.db2.gz HTNQVNBQRQCASH-JHJVBQTASA-N 2 2 284.404 0.228 20 0 CCADLP CO[C@@H]1CCCC[C@H]1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000652306889 412024976 /nfs/dbraw/zinc/02/49/76/412024976.db2.gz HTNQVNBQRQCASH-JHJVBQTASA-N 2 2 284.404 0.228 20 0 CCADLP CNC(=O)[C@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000652341425 412030823 /nfs/dbraw/zinc/03/08/23/412030823.db2.gz OQQFCGWRNBVSAZ-OAHLLOKOSA-N 2 2 289.379 0.279 20 0 CCADLP CNC(=O)[C@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000652341425 412030826 /nfs/dbraw/zinc/03/08/26/412030826.db2.gz OQQFCGWRNBVSAZ-OAHLLOKOSA-N 2 2 289.379 0.279 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000652339603 412031412 /nfs/dbraw/zinc/03/14/12/412031412.db2.gz CHUQRJADAWJAMR-MCIONIFRSA-N 3 2 255.406 0.421 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000652339603 412031416 /nfs/dbraw/zinc/03/14/16/412031416.db2.gz CHUQRJADAWJAMR-MCIONIFRSA-N 3 2 255.406 0.421 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000652338925 412031502 /nfs/dbraw/zinc/03/15/02/412031502.db2.gz NUBMQYNNJROSDN-CYBMUJFWSA-N 3 2 252.362 0.490 20 0 CCADLP Cn1nccc1[C@@H]1COCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000652363548 412038247 /nfs/dbraw/zinc/03/82/47/412038247.db2.gz HLHZUOOZKGGGGF-JSGCOSHPSA-N 2 2 264.373 0.793 20 0 CCADLP Cn1nccc1[C@@H]1COCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000652363548 412038250 /nfs/dbraw/zinc/03/82/50/412038250.db2.gz HLHZUOOZKGGGGF-JSGCOSHPSA-N 2 2 264.373 0.793 20 0 CCADLP C[C@@H](CC(=O)N[C@H]1CCC[N@H+](CCCO)C1)n1cc[nH+]c1 ZINC000652390523 412046079 /nfs/dbraw/zinc/04/60/79/412046079.db2.gz SZCNZKGJWQYVBB-KBPBESRZSA-N 2 2 294.399 0.797 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)NCCC[NH+](C)CC(C)C ZINC000652523728 412068503 /nfs/dbraw/zinc/06/85/03/412068503.db2.gz ZUNPWJXWWCILTC-AWEZNQCLSA-N 2 2 285.432 0.801 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)NCCC[NH+](C)CC(C)C ZINC000652523728 412068506 /nfs/dbraw/zinc/06/85/06/412068506.db2.gz ZUNPWJXWWCILTC-AWEZNQCLSA-N 2 2 285.432 0.801 20 0 CCADLP CC[NH+]1CCOC[C@H]1C(=O)NCCC[N@H+](C)CC(C)C ZINC000652523728 412068509 /nfs/dbraw/zinc/06/85/09/412068509.db2.gz ZUNPWJXWWCILTC-AWEZNQCLSA-N 2 2 285.432 0.801 20 0 CCADLP CC[NH+]1CCOC[C@H]1C(=O)NCCC[N@@H+](C)CC(C)C ZINC000652523728 412068511 /nfs/dbraw/zinc/06/85/11/412068511.db2.gz ZUNPWJXWWCILTC-AWEZNQCLSA-N 2 2 285.432 0.801 20 0 CCADLP CCO[C@@H]1CN(C(=O)Nc2cc(C)[nH+]cc2C)C[C@H]1C[NH3+] ZINC000652589499 412072663 /nfs/dbraw/zinc/07/26/63/412072663.db2.gz XRSZYRRTTOMZCH-TZMCWYRMSA-N 2 2 292.383 0.948 20 0 CCADLP CCOC[C@@H]1CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653090639 412214503 /nfs/dbraw/zinc/21/45/03/412214503.db2.gz WDRCYPBIHUAMJW-CHWSQXEVSA-N 2 2 271.405 0.541 20 0 CCADLP Cc1[nH+]ccn1CCCCNC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000284810918 196135924 /nfs/dbraw/zinc/13/59/24/196135924.db2.gz NHYODOHDOZFATN-YPMHNXCESA-N 2 2 280.372 0.465 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC1([NH3+])CCCCCC1 ZINC000653044931 412198629 /nfs/dbraw/zinc/19/86/29/412198629.db2.gz KFURUODOJMFHKV-GFCCVEGCSA-N 3 2 270.421 0.433 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000653050689 412201192 /nfs/dbraw/zinc/20/11/92/412201192.db2.gz MHGJUQBBRGTNNY-CQSZACIVSA-N 3 2 276.384 0.550 20 0 CCADLP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653054040 412202584 /nfs/dbraw/zinc/20/25/84/412202584.db2.gz RRHNQVYOYIIGAH-MFKMUULPSA-N 3 2 264.373 0.924 20 0 CCADLP CC(C)N1C(=O)CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1(C)C ZINC000653092508 412215347 /nfs/dbraw/zinc/21/53/47/412215347.db2.gz BYFLFVNSUXELDM-LBPRGKRZSA-N 2 2 298.431 0.123 20 0 CCADLP COc1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653056471 412203389 /nfs/dbraw/zinc/20/33/89/412203389.db2.gz IASVOBDSWLJKBT-LBPRGKRZSA-N 2 2 251.330 0.913 20 0 CCADLP COc1cc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc(OC)c1 ZINC000653056860 412203451 /nfs/dbraw/zinc/20/34/51/412203451.db2.gz AVFQUESMLINAJE-CYBMUJFWSA-N 2 2 281.356 0.921 20 0 CCADLP COc1ccccc1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653057128 412204162 /nfs/dbraw/zinc/20/41/62/412204162.db2.gz PTAJREOPOHFHFX-LBPRGKRZSA-N 2 2 265.357 0.590 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1ccc2c(c1)OCCO2 ZINC000653058820 412205822 /nfs/dbraw/zinc/20/58/22/412205822.db2.gz HIMJJEDZFQTFAM-LBPRGKRZSA-N 2 2 293.367 0.353 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCc2ccccc2C1 ZINC000653060421 412206547 /nfs/dbraw/zinc/20/65/47/412206547.db2.gz CRLNHTXEXXYIJM-CABCVRRESA-N 2 2 275.396 0.939 20 0 CCADLP COc1cccc(CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000653066449 412206963 /nfs/dbraw/zinc/20/69/63/412206963.db2.gz SQGVOBYBQGHQBR-AWEZNQCLSA-N 2 2 279.384 0.633 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCOc1cccc(F)c1 ZINC000653068422 412207138 /nfs/dbraw/zinc/20/71/38/412207138.db2.gz BTCWNYVFJFUGGU-ZDUSSCGKSA-N 2 2 283.347 0.600 20 0 CCADLP C[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1ccc2c(c1)OCO2 ZINC000653063310 412207996 /nfs/dbraw/zinc/20/79/96/412207996.db2.gz BLUIMRXGWULCJN-PWSUYJOCSA-N 2 2 293.367 0.872 20 0 CCADLP COCCOc1cccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000653069913 412208339 /nfs/dbraw/zinc/20/83/39/412208339.db2.gz CDKXPHIGSODGRW-CQSZACIVSA-N 2 2 295.383 0.929 20 0 CCADLP CCN(CC)C(=O)CCCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653071275 412208636 /nfs/dbraw/zinc/20/86/36/412208636.db2.gz ATLXBWYDECXNLU-GFCCVEGCSA-N 2 2 286.420 0.030 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@]1(C)CCCC[C@@H]1O ZINC000653095309 412215949 /nfs/dbraw/zinc/21/59/49/412215949.db2.gz FWCISUXJGDZHIG-SGMGOOAPSA-N 2 2 271.405 0.323 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCOC[C@@H]1c1ccccc1 ZINC000653097250 412216783 /nfs/dbraw/zinc/21/67/83/412216783.db2.gz HSPXXJDRJRRZKU-LSDHHAIUSA-N 2 2 291.395 0.866 20 0 CCADLP CO[C@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)C(C)(C)C ZINC000653100078 412218670 /nfs/dbraw/zinc/21/86/70/412218670.db2.gz HOMJXIDVWLQLQK-GHMZBOCLSA-N 2 2 259.394 0.443 20 0 CCADLP COCCC1(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)CCC1 ZINC000653103244 412218812 /nfs/dbraw/zinc/21/88/12/412218812.db2.gz GBFHFBVQXWKXDX-LBPRGKRZSA-N 2 2 271.405 0.588 20 0 CCADLP CCC1(CC)[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C[C@@H]1OC ZINC000653104732 412220804 /nfs/dbraw/zinc/22/08/04/412220804.db2.gz SFKFFZREZVDSBF-XQQFMLRXSA-N 2 2 285.432 0.975 20 0 CCADLP C[C@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000653109941 412222246 /nfs/dbraw/zinc/22/22/46/412222246.db2.gz SAXGNKZMWOBSBH-MGPQQGTHSA-N 3 2 284.448 0.502 20 0 CCADLP C[C@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000653109941 412222248 /nfs/dbraw/zinc/22/22/48/412222248.db2.gz SAXGNKZMWOBSBH-MGPQQGTHSA-N 3 2 284.448 0.502 20 0 CCADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653110084 412222405 /nfs/dbraw/zinc/22/24/05/412222405.db2.gz WYNZRFPPOZSQKH-QLFBSQMISA-N 3 2 298.475 0.750 20 0 CCADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653110084 412222409 /nfs/dbraw/zinc/22/24/09/412222409.db2.gz WYNZRFPPOZSQKH-QLFBSQMISA-N 3 2 298.475 0.750 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)N(C)c1ccccc1 ZINC000653109459 412222930 /nfs/dbraw/zinc/22/29/30/412222930.db2.gz BUTRKWRZIYFFAT-ZFWWWQNUSA-N 2 2 292.427 0.907 20 0 CCADLP CC1CC[NH+](CCCCNC(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653110755 412223746 /nfs/dbraw/zinc/22/37/46/412223746.db2.gz SRPBBAUNYRFRJQ-OAHLLOKOSA-N 3 2 298.475 0.894 20 0 CCADLP CCc1nc(CN(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C)cs1 ZINC000653112621 412224737 /nfs/dbraw/zinc/22/47/37/412224737.db2.gz DKXYUGPHNIOBEX-NSHDSACASA-N 2 2 284.429 0.943 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000653114107 412226806 /nfs/dbraw/zinc/22/68/06/412226806.db2.gz YJUCYDQNVAQINQ-KGLIPLIRSA-N 3 2 282.432 0.352 20 0 CCADLP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653116735 412227747 /nfs/dbraw/zinc/22/77/47/412227747.db2.gz QKDYVOWXWYJSKS-MGPQQGTHSA-N 3 2 284.448 0.645 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1nc(C2CC2)cs1 ZINC000653122759 412231455 /nfs/dbraw/zinc/23/14/55/412231455.db2.gz CZUOEOGPRWNSFO-JTQLQIEISA-N 2 2 282.413 0.916 20 0 CCADLP CN(CCc1ccncc1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653125672 412234491 /nfs/dbraw/zinc/23/44/91/412234491.db2.gz QBFHDYLVOUBNTK-ZDUSSCGKSA-N 2 2 264.373 0.362 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000653133888 412236176 /nfs/dbraw/zinc/23/61/76/412236176.db2.gz FCYXAZXFCOCAOX-JSGCOSHPSA-N 2 2 288.395 0.972 20 0 CCADLP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653148248 412241995 /nfs/dbraw/zinc/24/19/95/412241995.db2.gz UASFPQSGABHOPY-ZDUSSCGKSA-N 3 2 272.437 0.312 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000653149101 412242169 /nfs/dbraw/zinc/24/21/69/412242169.db2.gz WZLNMXZDNMQROC-OLZOCXBDSA-N 3 2 270.421 0.208 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC(F)(F)C(F)F ZINC000653160506 412246439 /nfs/dbraw/zinc/24/64/39/412246439.db2.gz LEUZDSNCYAPCRH-LURJTMIESA-N 2 2 259.247 0.282 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000653158485 412246810 /nfs/dbraw/zinc/24/68/10/412246810.db2.gz ASFVHERNYQPCRZ-AVGNSLFASA-N 2 2 285.432 0.521 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)CC(F)F ZINC000653167431 412249365 /nfs/dbraw/zinc/24/93/65/412249365.db2.gz UWNNSHOPCIBSOC-BDAKNGLRSA-N 2 2 251.321 0.673 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000653167879 412249720 /nfs/dbraw/zinc/24/97/20/412249720.db2.gz IAUYXCWACUNRMS-NEPJUHHUSA-N 3 2 268.405 0.056 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC(C)(C)OCC1(C)C ZINC000653556816 412317726 /nfs/dbraw/zinc/31/77/26/412317726.db2.gz KZIZAJRLJDPCCO-CYBMUJFWSA-N 2 2 288.432 0.815 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC(C)(C)OCC1(C)C ZINC000653556816 412317728 /nfs/dbraw/zinc/31/77/28/412317728.db2.gz KZIZAJRLJDPCCO-CYBMUJFWSA-N 2 2 288.432 0.815 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC(C)(C)OCC1(C)C ZINC000653556816 412317730 /nfs/dbraw/zinc/31/77/30/412317730.db2.gz KZIZAJRLJDPCCO-CYBMUJFWSA-N 2 2 288.432 0.815 20 0 CCADLP CC(=O)N1CC[N@H+](CCCc2c[nH+]cn2C)[C@H](C)C1 ZINC000653569942 412319419 /nfs/dbraw/zinc/31/94/19/412319419.db2.gz TVCNXMPHXGOIAK-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP CC(=O)N1CC[N@@H+](CCCc2c[nH+]cn2C)[C@H](C)C1 ZINC000653569942 412319422 /nfs/dbraw/zinc/31/94/22/412319422.db2.gz TVCNXMPHXGOIAK-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP C[C@@H](CO)C[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000653689607 412336323 /nfs/dbraw/zinc/33/63/23/412336323.db2.gz COKYKUZIICVUDD-OLZOCXBDSA-N 2 2 256.390 0.800 20 0 CCADLP C[C@@H](CO)C[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000653689607 412336326 /nfs/dbraw/zinc/33/63/26/412336326.db2.gz COKYKUZIICVUDD-OLZOCXBDSA-N 2 2 256.390 0.800 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]2COC[C@@H]21 ZINC000653760051 412343757 /nfs/dbraw/zinc/34/37/57/412343757.db2.gz DLDGIOYSCFQUMS-RDBSUJKOSA-N 2 2 272.389 0.036 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000653760051 412343760 /nfs/dbraw/zinc/34/37/60/412343760.db2.gz DLDGIOYSCFQUMS-RDBSUJKOSA-N 2 2 272.389 0.036 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000653760051 412343763 /nfs/dbraw/zinc/34/37/63/412343763.db2.gz DLDGIOYSCFQUMS-RDBSUJKOSA-N 2 2 272.389 0.036 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1nncn1-c1ccccc1 ZINC000653348776 412293355 /nfs/dbraw/zinc/29/33/55/412293355.db2.gz RRBHWAAHAJSKDK-LBPRGKRZSA-N 2 2 288.355 0.485 20 0 CCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000655041873 412466896 /nfs/dbraw/zinc/46/68/96/412466896.db2.gz BLEPXAGPEHVEAG-CYBMUJFWSA-N 2 2 293.415 0.994 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000659450586 413508291 /nfs/dbraw/zinc/50/82/91/413508291.db2.gz RASGNPSOIROLSN-QJPTWQEYSA-N 2 2 272.393 0.003 20 0 CCADLP CN(CCC[NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659456046 413515107 /nfs/dbraw/zinc/51/51/07/413515107.db2.gz HIBMSJAAORMORC-ZDUSSCGKSA-N 3 2 297.447 0.145 20 0 CCADLP CN(CCC[NH3+])C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659456046 413515116 /nfs/dbraw/zinc/51/51/16/413515116.db2.gz HIBMSJAAORMORC-ZDUSSCGKSA-N 3 2 297.447 0.145 20 0 CCADLP [NH3+]C1(CNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CCCC1 ZINC000659494418 413547542 /nfs/dbraw/zinc/54/75/42/413547542.db2.gz RKUNVSCYPOLYGJ-SNVBAGLBSA-N 2 2 277.372 0.838 20 0 CCADLP [NH3+]C1(CNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CCCC1 ZINC000659494418 413547550 /nfs/dbraw/zinc/54/75/50/413547550.db2.gz RKUNVSCYPOLYGJ-SNVBAGLBSA-N 2 2 277.372 0.838 20 0 CCADLP CC(=O)N1CCC([NH2+][C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000035275469 172095706 /nfs/dbraw/zinc/09/57/06/172095706.db2.gz NJMPWEMQRAAJHA-NSHDSACASA-N 2 2 250.346 0.872 20 0 CCADLP C[NH2+]CCCNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000659504962 413560716 /nfs/dbraw/zinc/56/07/16/413560716.db2.gz MPVAWAXJOUTIHY-UHFFFAOYSA-N 2 2 298.431 0.350 20 0 CCADLP O=C(NCCC[NH2+]C1CC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659506306 413562524 /nfs/dbraw/zinc/56/25/24/413562524.db2.gz OZJRUEXXBODVNW-CQSZACIVSA-N 2 2 296.415 0.245 20 0 CCADLP O=C(NCC1CC[NH2+]CC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659508321 413566376 /nfs/dbraw/zinc/56/63/76/413566376.db2.gz UJINRRWPUUGVLF-CQSZACIVSA-N 2 2 296.415 0.102 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659540324 413628745 /nfs/dbraw/zinc/62/87/45/413628745.db2.gz VMCUDBCCTKTOCM-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H](NC(=O)N[C@@H]1CCC[NH2+]CC1)c1[nH+]ccn1C ZINC000659536304 413620566 /nfs/dbraw/zinc/62/05/66/413620566.db2.gz NCOHZEIPTXEBNU-GHMZBOCLSA-N 2 2 265.361 0.922 20 0 CCADLP CC(C)[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C1CC1 ZINC000659609935 413695305 /nfs/dbraw/zinc/69/53/05/413695305.db2.gz YGEMPUNYFXWSJK-OLZOCXBDSA-N 2 2 268.405 0.705 20 0 CCADLP CC(C)[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C1CC1 ZINC000659609935 413695311 /nfs/dbraw/zinc/69/53/11/413695311.db2.gz YGEMPUNYFXWSJK-OLZOCXBDSA-N 2 2 268.405 0.705 20 0 CCADLP CC(C)[C@H]([NH3+])CCNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000659618940 413715623 /nfs/dbraw/zinc/71/56/23/413715623.db2.gz LIYBQXBTHNCVFU-HZSPNIEDSA-N 2 2 298.431 0.522 20 0 CCADLP CC(C)[C@H]([NH3+])CCNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000659618940 413715630 /nfs/dbraw/zinc/71/56/30/413715630.db2.gz LIYBQXBTHNCVFU-HZSPNIEDSA-N 2 2 298.431 0.522 20 0 CCADLP C[C@H](NC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)c1[nH+]ccn1C ZINC000659628149 413724968 /nfs/dbraw/zinc/72/49/68/413724968.db2.gz LXOSZFJLNQZOGT-TUAOUCFPSA-N 2 2 277.372 0.875 20 0 CCADLP C[C@H](NC(=O)N1CC2CC1(C[NH3+])C2)c1[nH+]ccn1C ZINC000659626640 413725530 /nfs/dbraw/zinc/72/55/30/413725530.db2.gz CMRRPPDZDUBCGI-JBLZRFIASA-N 2 2 263.345 0.614 20 0 CCADLP CCC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000659863777 413923326 /nfs/dbraw/zinc/92/33/26/413923326.db2.gz JEWVHHKWVCSQJC-ZIAGYGMSSA-N 2 2 285.432 0.678 20 0 CCADLP CCC(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000659863777 413923333 /nfs/dbraw/zinc/92/33/33/413923333.db2.gz JEWVHHKWVCSQJC-ZIAGYGMSSA-N 2 2 285.432 0.678 20 0 CCADLP CCC(=O)N[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000659863777 413923337 /nfs/dbraw/zinc/92/33/37/413923337.db2.gz JEWVHHKWVCSQJC-ZIAGYGMSSA-N 2 2 285.432 0.678 20 0 CCADLP CCC(=O)N[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000659863777 413923341 /nfs/dbraw/zinc/92/33/41/413923341.db2.gz JEWVHHKWVCSQJC-ZIAGYGMSSA-N 2 2 285.432 0.678 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](CC(N)=O)C1CCCC1 ZINC000659879971 413940130 /nfs/dbraw/zinc/94/01/30/413940130.db2.gz ZVXXDBYGVALMGU-CYBMUJFWSA-N 2 2 271.405 0.417 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](CC(N)=O)C1CCCC1 ZINC000659879971 413940139 /nfs/dbraw/zinc/94/01/39/413940139.db2.gz ZVXXDBYGVALMGU-CYBMUJFWSA-N 2 2 271.405 0.417 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](CC(N)=O)C1CCCC1 ZINC000659879971 413940149 /nfs/dbraw/zinc/94/01/49/413940149.db2.gz ZVXXDBYGVALMGU-CYBMUJFWSA-N 2 2 271.405 0.417 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](CC(N)=O)C1CCCC1 ZINC000659879971 413940154 /nfs/dbraw/zinc/94/01/54/413940154.db2.gz ZVXXDBYGVALMGU-CYBMUJFWSA-N 2 2 271.405 0.417 20 0 CCADLP CCN1OC[C@H]([N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000659883202 413940886 /nfs/dbraw/zinc/94/08/86/413940886.db2.gz QWFOTDGIYGVUPT-NEPJUHHUSA-N 2 2 264.329 0.682 20 0 CCADLP CCN1OC[C@H]([N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000659883202 413940893 /nfs/dbraw/zinc/94/08/93/413940893.db2.gz QWFOTDGIYGVUPT-NEPJUHHUSA-N 2 2 264.329 0.682 20 0 CCADLP CCOCC[NH+]1CCN(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000659887061 413946745 /nfs/dbraw/zinc/94/67/45/413946745.db2.gz HPNGFERIMZCSMI-IYBDPMFKSA-N 2 2 299.459 0.750 20 0 CCADLP CCOCC[NH+]1CCN(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000659887061 413946750 /nfs/dbraw/zinc/94/67/50/413946750.db2.gz HPNGFERIMZCSMI-IYBDPMFKSA-N 2 2 299.459 0.750 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CNC(=O)C1 ZINC000659998220 414037647 /nfs/dbraw/zinc/03/76/47/414037647.db2.gz UEIZSHVMNOLNAP-UPJWGTAASA-N 2 2 251.374 0.681 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CNC(=O)C1 ZINC000659998220 414037655 /nfs/dbraw/zinc/03/76/55/414037655.db2.gz UEIZSHVMNOLNAP-UPJWGTAASA-N 2 2 251.374 0.681 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CNC(=O)C1 ZINC000659998220 414037661 /nfs/dbraw/zinc/03/76/61/414037661.db2.gz UEIZSHVMNOLNAP-UPJWGTAASA-N 2 2 251.374 0.681 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CNC(=O)C1 ZINC000659998220 414037670 /nfs/dbraw/zinc/03/76/70/414037670.db2.gz UEIZSHVMNOLNAP-UPJWGTAASA-N 2 2 251.374 0.681 20 0 CCADLP C[C@H](C[NH3+])C(=O)NCCCCNc1cccc[nH+]1 ZINC000285770793 196394224 /nfs/dbraw/zinc/39/42/24/196394224.db2.gz LWIJAENZFDDEET-LLVKDONJSA-N 2 2 250.346 0.985 20 0 CCADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414976217 298892891 /nfs/dbraw/zinc/89/28/91/298892891.db2.gz NQDZLINQMIZKQT-KFWWJZLASA-N 3 2 268.449 0.790 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000660402741 414297198 /nfs/dbraw/zinc/29/71/98/414297198.db2.gz JXQJWTXEUJBUDZ-UHFFFAOYSA-N 2 2 295.387 0.664 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000660402741 414297205 /nfs/dbraw/zinc/29/72/05/414297205.db2.gz JXQJWTXEUJBUDZ-UHFFFAOYSA-N 2 2 295.387 0.664 20 0 CCADLP COCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@@H]1CCOC1 ZINC000660433316 414313994 /nfs/dbraw/zinc/31/39/94/414313994.db2.gz YYPNWRVRGIPAGP-KGLIPLIRSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@@H]1CCOC1 ZINC000660433316 414314000 /nfs/dbraw/zinc/31/40/00/414314000.db2.gz YYPNWRVRGIPAGP-KGLIPLIRSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)[C@@H]1CCOC1 ZINC000660433316 414314007 /nfs/dbraw/zinc/31/40/07/414314007.db2.gz YYPNWRVRGIPAGP-KGLIPLIRSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)[C@@H]1CCOC1 ZINC000660433316 414314013 /nfs/dbraw/zinc/31/40/13/414314013.db2.gz YYPNWRVRGIPAGP-KGLIPLIRSA-N 2 2 274.405 0.425 20 0 CCADLP CC(=O)NCCC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660473769 414344683 /nfs/dbraw/zinc/34/46/83/414344683.db2.gz UWZGSJDQKIQVLO-HNNXBMFYSA-N 2 2 283.416 0.699 20 0 CCADLP CC(=O)NCCC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660473769 414344694 /nfs/dbraw/zinc/34/46/94/414344694.db2.gz UWZGSJDQKIQVLO-HNNXBMFYSA-N 2 2 283.416 0.699 20 0 CCADLP C([C@@H]1COCCO1)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660475619 414349692 /nfs/dbraw/zinc/34/96/92/414349692.db2.gz TXLVNCKHQYDJCX-LSDHHAIUSA-N 2 2 284.400 0.589 20 0 CCADLP C([C@@H]1COCCO1)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660475619 414349697 /nfs/dbraw/zinc/34/96/97/414349697.db2.gz TXLVNCKHQYDJCX-LSDHHAIUSA-N 2 2 284.400 0.589 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CN(C)CC[NH+]2C)C1 ZINC000660640752 414422766 /nfs/dbraw/zinc/42/27/66/414422766.db2.gz UXIFOLXAKIMFPC-KBPBESRZSA-N 2 2 297.447 0.016 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CN(C)CC[NH+]2C)C1 ZINC000660640752 414422768 /nfs/dbraw/zinc/42/27/68/414422768.db2.gz UXIFOLXAKIMFPC-KBPBESRZSA-N 2 2 297.447 0.016 20 0 CCADLP CCC[NH+]1CC[C@H](NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)C1 ZINC000660640752 414422774 /nfs/dbraw/zinc/42/27/74/414422774.db2.gz UXIFOLXAKIMFPC-KBPBESRZSA-N 2 2 297.447 0.016 20 0 CCADLP CCC[NH+]1CC[C@H](NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)C1 ZINC000660640752 414422780 /nfs/dbraw/zinc/42/27/80/414422780.db2.gz UXIFOLXAKIMFPC-KBPBESRZSA-N 2 2 297.447 0.016 20 0 CCADLP CCN1CC[C@H]([NH+]2CCC(CO)([NH2+]CC(C)C)CC2)C1=O ZINC000660696773 414445191 /nfs/dbraw/zinc/44/51/91/414445191.db2.gz UUFRQEDCVWGVJY-AWEZNQCLSA-N 2 2 297.443 0.680 20 0 CCADLP COCC[NH+]1CCC(NC(=O)N(C)Cc2c[nH+]c[nH]2)CC1 ZINC000660837642 414499221 /nfs/dbraw/zinc/49/92/21/414499221.db2.gz MMWHMLFCADXLCP-UHFFFAOYSA-N 2 2 295.387 0.662 20 0 CCADLP COCC[NH+]1CCC(NC(=O)N(C)Cc2c[nH]c[nH+]2)CC1 ZINC000660837642 414499225 /nfs/dbraw/zinc/49/92/25/414499225.db2.gz MMWHMLFCADXLCP-UHFFFAOYSA-N 2 2 295.387 0.662 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)CC1CC[NH2+]CC1 ZINC000038075161 174085068 /nfs/dbraw/zinc/08/50/68/174085068.db2.gz RTEFQMLALPZHTL-LLVKDONJSA-N 2 2 250.346 0.778 20 0 CCADLP NC(=O)COc1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000038086885 174097455 /nfs/dbraw/zinc/09/74/55/174097455.db2.gz ROKCJAPJEKLOFF-UHFFFAOYSA-N 2 2 263.341 0.346 20 0 CCADLP NC(=O)COc1ccc(C[N@H+]2CCC[NH2+]CC2)cc1 ZINC000038086885 174097458 /nfs/dbraw/zinc/09/74/58/174097458.db2.gz ROKCJAPJEKLOFF-UHFFFAOYSA-N 2 2 263.341 0.346 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)NC(=O)NCC(C)C)C1 ZINC000040600553 174351125 /nfs/dbraw/zinc/35/11/25/174351125.db2.gz KQFMJVMTRNXITM-LBPRGKRZSA-N 2 2 284.404 0.400 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NCC(C)C)C1 ZINC000040600553 174351127 /nfs/dbraw/zinc/35/11/27/174351127.db2.gz KQFMJVMTRNXITM-LBPRGKRZSA-N 2 2 284.404 0.400 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)NC2CCCC2)C1 ZINC000040601073 174351298 /nfs/dbraw/zinc/35/12/98/174351298.db2.gz QOACOTPGDKSICI-GFCCVEGCSA-N 2 2 253.390 0.977 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC000040601073 174351300 /nfs/dbraw/zinc/35/13/00/174351300.db2.gz QOACOTPGDKSICI-GFCCVEGCSA-N 2 2 253.390 0.977 20 0 CCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC000662266151 414702990 /nfs/dbraw/zinc/70/29/90/414702990.db2.gz YIKYHOZJFLHLEM-GOEBONIOSA-N 2 2 290.411 0.749 20 0 CCADLP CCc1nocc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000662274292 414704067 /nfs/dbraw/zinc/70/40/67/414704067.db2.gz UKDLYKSOXQJWDR-ZDUSSCGKSA-N 2 2 264.373 0.717 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662278085 414704635 /nfs/dbraw/zinc/70/46/35/414704635.db2.gz VJKYRLJQFONPHY-FVCCEPFGSA-N 3 2 253.390 0.484 20 0 CCADLP CC[N@H+](CCc1nccs1)C[C@H]1C[NH2+]CCO1 ZINC000662279118 414705280 /nfs/dbraw/zinc/70/52/80/414705280.db2.gz QQPAJLYLLHAWQD-LLVKDONJSA-N 2 2 255.387 0.996 20 0 CCADLP CC[N@@H+](CCc1nccs1)C[C@H]1C[NH2+]CCO1 ZINC000662279118 414705281 /nfs/dbraw/zinc/70/52/81/414705281.db2.gz QQPAJLYLLHAWQD-LLVKDONJSA-N 2 2 255.387 0.996 20 0 CCADLP Cc1cc(C2CC[NH+](C[C@@H]3C[NH2+]CCO3)CC2)[nH]n1 ZINC000662278808 414705312 /nfs/dbraw/zinc/70/53/12/414705312.db2.gz AZGOBNAGGQJOLG-ZDUSSCGKSA-N 2 2 264.373 0.886 20 0 CCADLP Cc1cc(C2CC[NH+](C[C@@H]3C[NH2+]CCO3)CC2)n[nH]1 ZINC000662278808 414705313 /nfs/dbraw/zinc/70/53/13/414705313.db2.gz AZGOBNAGGQJOLG-ZDUSSCGKSA-N 2 2 264.373 0.886 20 0 CCADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2C[C@@H]2C[NH2+]CCO2)C1 ZINC000662282563 414705815 /nfs/dbraw/zinc/70/58/15/414705815.db2.gz CHJIHJFECQDLFH-BARDWOONSA-N 3 2 283.416 0.336 20 0 CCADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2C[C@@H]2C[NH2+]CCO2)C1 ZINC000662282563 414705816 /nfs/dbraw/zinc/70/58/16/414705816.db2.gz CHJIHJFECQDLFH-BARDWOONSA-N 3 2 283.416 0.336 20 0 CCADLP CC(C)(C)n1cc(C[NH+]2CCC(O)(C[NH3+])CC2)nn1 ZINC000662283160 414705835 /nfs/dbraw/zinc/70/58/35/414705835.db2.gz LYKGBKPUMIJMBI-UHFFFAOYSA-N 2 2 267.377 0.319 20 0 CCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)NCC1CCCCC1 ZINC000662286720 414706479 /nfs/dbraw/zinc/70/64/79/414706479.db2.gz ZKZPIFATHSJJJP-UHFFFAOYSA-N 2 2 283.416 0.387 20 0 CCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)NC1CCCCCC1 ZINC000662286715 414706604 /nfs/dbraw/zinc/70/66/04/414706604.db2.gz ZDADHKUIRQDTRU-UHFFFAOYSA-N 2 2 283.416 0.530 20 0 CCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)Nc1cccc(F)c1 ZINC000662286721 414706681 /nfs/dbraw/zinc/70/66/81/414706681.db2.gz ZLUXQOHXKRQAMJ-UHFFFAOYSA-N 2 2 281.331 0.468 20 0 CCADLP C[C@@H](C1CC1)N(C(=O)C[NH2+]C1(CO)CC[NH2+]CC1)C1CC1 ZINC000662285921 414706707 /nfs/dbraw/zinc/70/67/07/414706707.db2.gz AHEYUNVXEMQULF-LBPRGKRZSA-N 2 2 295.427 0.480 20 0 CCADLP [NH3+]CC[N@H+](CCCCC(F)(F)F)C[C@H](O)CO ZINC000662287592 414706842 /nfs/dbraw/zinc/70/68/42/414706842.db2.gz DOMLTSFOKPPWST-VIFPVBQESA-N 2 2 258.284 0.333 20 0 CCADLP [NH3+]CC[N@@H+](CCCCC(F)(F)F)C[C@H](O)CO ZINC000662287592 414706843 /nfs/dbraw/zinc/70/68/43/414706843.db2.gz DOMLTSFOKPPWST-VIFPVBQESA-N 2 2 258.284 0.333 20 0 CCADLP [NH3+]CC[N@H+](CCCc1cccc(F)c1)C[C@H](O)CO ZINC000662288571 414706975 /nfs/dbraw/zinc/70/69/75/414706975.db2.gz QOGMOISJUPNQQV-AWEZNQCLSA-N 2 2 270.348 0.372 20 0 CCADLP [NH3+]CC[N@@H+](CCCc1cccc(F)c1)C[C@H](O)CO ZINC000662288571 414706976 /nfs/dbraw/zinc/70/69/76/414706976.db2.gz QOGMOISJUPNQQV-AWEZNQCLSA-N 2 2 270.348 0.372 20 0 CCADLP COc1cccc(CCC[N@H+](CC[NH3+])C[C@H](O)CO)c1 ZINC000662289434 414707257 /nfs/dbraw/zinc/70/72/57/414707257.db2.gz RBNLDXCBTBYDRA-AWEZNQCLSA-N 2 2 282.384 0.242 20 0 CCADLP COc1cccc(CCC[N@@H+](CC[NH3+])C[C@H](O)CO)c1 ZINC000662289434 414707258 /nfs/dbraw/zinc/70/72/58/414707258.db2.gz RBNLDXCBTBYDRA-AWEZNQCLSA-N 2 2 282.384 0.242 20 0 CCADLP C[C@@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)[C@H](C[NH3+])C1 ZINC000662314996 414708644 /nfs/dbraw/zinc/70/86/44/414708644.db2.gz JEDNNXIXESDZOM-AGIUHOORSA-N 3 2 253.390 0.567 20 0 CCADLP C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)[C@H](C[NH3+])C1 ZINC000662314996 414708645 /nfs/dbraw/zinc/70/86/45/414708645.db2.gz JEDNNXIXESDZOM-AGIUHOORSA-N 3 2 253.390 0.567 20 0 CCADLP C[NH+](C)CCC[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)CCO1 ZINC000662323902 414709658 /nfs/dbraw/zinc/70/96/58/414709658.db2.gz UESVLSUYEKGVDE-CYBMUJFWSA-N 2 2 297.399 0.178 20 0 CCADLP C[NH+](C)CCC[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)CCO1 ZINC000662323902 414709659 /nfs/dbraw/zinc/70/96/59/414709659.db2.gz UESVLSUYEKGVDE-CYBMUJFWSA-N 2 2 297.399 0.178 20 0 CCADLP CC(C)CC1([NH2+]CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000662070869 414689773 /nfs/dbraw/zinc/68/97/73/414689773.db2.gz PRMBQPCFLBUKGC-UHFFFAOYSA-N 2 2 253.390 0.929 20 0 CCADLP COCCOCCOCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662246298 414698672 /nfs/dbraw/zinc/69/86/72/414698672.db2.gz SJUFDNWDIBZFFI-CABCVRRESA-N 2 2 286.416 0.882 20 0 CCADLP COCCOCCOCCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662246298 414698673 /nfs/dbraw/zinc/69/86/73/414698673.db2.gz SJUFDNWDIBZFFI-CABCVRRESA-N 2 2 286.416 0.882 20 0 CCADLP CCC[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CC[NH2+]C1 ZINC000662244089 414698953 /nfs/dbraw/zinc/69/89/53/414698953.db2.gz BIVUBBSWDXFSGQ-OLZOCXBDSA-N 3 2 253.390 0.581 20 0 CCADLP CCC[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CC[NH2+]C1 ZINC000662244089 414698954 /nfs/dbraw/zinc/69/89/54/414698954.db2.gz BIVUBBSWDXFSGQ-OLZOCXBDSA-N 3 2 253.390 0.581 20 0 CCADLP O=C(C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1)N1CCCCC1 ZINC000662248571 414699345 /nfs/dbraw/zinc/69/93/45/414699345.db2.gz GGYFXKVYBZASEK-OAHLLOKOSA-N 2 2 295.427 0.699 20 0 CCADLP CC(C)C(=O)N1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662252041 414700065 /nfs/dbraw/zinc/70/00/65/414700065.db2.gz IAASMWCJILNHNY-ZDUSSCGKSA-N 2 2 269.389 0.165 20 0 CCADLP CC(C)C(=O)N1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662252041 414700066 /nfs/dbraw/zinc/70/00/66/414700066.db2.gz IAASMWCJILNHNY-ZDUSSCGKSA-N 2 2 269.389 0.165 20 0 CCADLP CC(C)C(=O)NC[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662255100 414700727 /nfs/dbraw/zinc/70/07/27/414700727.db2.gz WMEFQOPQKBNSQJ-KGLIPLIRSA-N 2 2 283.416 0.459 20 0 CCADLP CC(C)C(=O)NC[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662255100 414700728 /nfs/dbraw/zinc/70/07/28/414700728.db2.gz WMEFQOPQKBNSQJ-KGLIPLIRSA-N 2 2 283.416 0.459 20 0 CCADLP O=C1CCCN1[C@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662256535 414700882 /nfs/dbraw/zinc/70/08/82/414700882.db2.gz JBBMJJIKDVHUSO-QWHCGFSZSA-N 2 2 267.373 0.062 20 0 CCADLP O=C1CCCN1[C@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662256535 414700883 /nfs/dbraw/zinc/70/08/83/414700883.db2.gz JBBMJJIKDVHUSO-QWHCGFSZSA-N 2 2 267.373 0.062 20 0 CCADLP C([C@@H]1CCCO1)N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662258871 414701021 /nfs/dbraw/zinc/70/10/21/414701021.db2.gz NHFKTDFOFGSXQT-GJZGRUSLSA-N 2 2 295.427 0.304 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000662367815 414712087 /nfs/dbraw/zinc/71/20/87/414712087.db2.gz GUXAZVJPXRLORG-CHWSQXEVSA-N 2 2 271.405 0.457 20 0 CCADLP Nc1ccc(NC(=O)c2cn[nH]c2[C@@H]2CC[NH2+]C2)c[nH+]1 ZINC000662412627 414715829 /nfs/dbraw/zinc/71/58/29/414715829.db2.gz REPSXTPENNXWAF-MRVPVSSYSA-N 2 2 272.312 0.716 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000662434160 414718185 /nfs/dbraw/zinc/71/81/85/414718185.db2.gz JRVIKPFTNUOBMT-LLVKDONJSA-N 2 2 257.378 0.211 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000662434160 414718186 /nfs/dbraw/zinc/71/81/86/414718186.db2.gz JRVIKPFTNUOBMT-LLVKDONJSA-N 2 2 257.378 0.211 20 0 CCADLP CC(C)OC[C@H]([NH3+])C(=O)NCC[N@H+]1CC=CCC1 ZINC000662546331 414727078 /nfs/dbraw/zinc/72/70/78/414727078.db2.gz PEYPMEQLTCXMNK-LBPRGKRZSA-N 2 2 255.362 0.117 20 0 CCADLP CC(C)OC[C@H]([NH3+])C(=O)NCC[N@@H+]1CC=CCC1 ZINC000662546331 414727079 /nfs/dbraw/zinc/72/70/79/414727079.db2.gz PEYPMEQLTCXMNK-LBPRGKRZSA-N 2 2 255.362 0.117 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000662586166 414730594 /nfs/dbraw/zinc/73/05/94/414730594.db2.gz POWIEOKANLNSOC-SLEUVZQESA-N 2 2 292.383 0.901 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000662586166 414730595 /nfs/dbraw/zinc/73/05/95/414730595.db2.gz POWIEOKANLNSOC-SLEUVZQESA-N 2 2 292.383 0.901 20 0 CCADLP CC[C@H](COCC1CC1)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000662620899 414733985 /nfs/dbraw/zinc/73/39/85/414733985.db2.gz SEVXFQHQGHZORM-OLZOCXBDSA-N 2 2 271.405 0.587 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)[C@@H](C)[NH3+] ZINC000662632987 414735623 /nfs/dbraw/zinc/73/56/23/414735623.db2.gz WTEHKRFPXPCKRX-ZIAGYGMSSA-N 3 2 286.464 0.606 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)[C@@H](C)[NH3+] ZINC000662632987 414735624 /nfs/dbraw/zinc/73/56/24/414735624.db2.gz WTEHKRFPXPCKRX-ZIAGYGMSSA-N 3 2 286.464 0.606 20 0 CCADLP CC[NH+]1CCN(C(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662658934 414738159 /nfs/dbraw/zinc/73/81/59/414738159.db2.gz GJJVNPSMGIWRKQ-UHFFFAOYSA-N 2 2 251.374 0.825 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC[C@]1(C)CC1(F)F ZINC000662665571 414738689 /nfs/dbraw/zinc/73/86/89/414738689.db2.gz KAOGBPHGDIUYHV-MWLCHTKSSA-N 2 2 263.332 0.817 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662668876 414739033 /nfs/dbraw/zinc/73/90/33/414739033.db2.gz RJIRUTRSLCYXHC-UKRRQHHQSA-N 3 2 296.459 0.789 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662668876 414739034 /nfs/dbraw/zinc/73/90/34/414739034.db2.gz RJIRUTRSLCYXHC-UKRRQHHQSA-N 3 2 296.459 0.789 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662683852 414740622 /nfs/dbraw/zinc/74/06/22/414740622.db2.gz VWLZJOGDYJYVDS-NEPJUHHUSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662683855 414740868 /nfs/dbraw/zinc/74/08/68/414740868.db2.gz VWLZJOGDYJYVDS-RYUDHWBXSA-N 2 2 269.389 0.211 20 0 CCADLP COc1ccc2c(c1)CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C2 ZINC000662688318 414741301 /nfs/dbraw/zinc/74/13/01/414741301.db2.gz KPVOJUKYITZDOF-OAHLLOKOSA-N 2 2 291.395 0.859 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)c2cc(C(C)(C)[NH3+])no2)CCO1 ZINC000662701313 414743204 /nfs/dbraw/zinc/74/32/04/414743204.db2.gz OGFKANMNAYOYIF-JTQLQIEISA-N 2 2 296.371 0.319 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)c2cc(C(C)(C)[NH3+])no2)CCO1 ZINC000662701313 414743205 /nfs/dbraw/zinc/74/32/05/414743205.db2.gz OGFKANMNAYOYIF-JTQLQIEISA-N 2 2 296.371 0.319 20 0 CCADLP [NH3+]C1(CC(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)CC1 ZINC000662709543 414744725 /nfs/dbraw/zinc/74/47/25/414744725.db2.gz CFZJNUGMANEBPZ-UHFFFAOYSA-N 2 2 289.379 0.918 20 0 CCADLP COCCC1(C(=O)N(C)Cc2c[nH+]c[nH]2)CC[NH2+]CC1 ZINC000662838185 414831950 /nfs/dbraw/zinc/83/19/50/414831950.db2.gz DPDZSCWLOSICOP-UHFFFAOYSA-N 2 2 280.372 0.774 20 0 CCADLP COCCC1(C(=O)N(C)Cc2c[nH]c[nH+]2)CC[NH2+]CC1 ZINC000662838185 414831956 /nfs/dbraw/zinc/83/19/56/414831956.db2.gz DPDZSCWLOSICOP-UHFFFAOYSA-N 2 2 280.372 0.774 20 0 CCADLP COC[C@@]1(C(=O)N[C@H](C)c2[nH+]ccn2C)CC[NH2+]C1 ZINC000662935604 414906945 /nfs/dbraw/zinc/90/69/45/414906945.db2.gz WNDUPLXJDURLHI-ZWNOBZJWSA-N 2 2 266.345 0.223 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000662966951 414921916 /nfs/dbraw/zinc/92/19/16/414921916.db2.gz WEFNPOWUUFDCBN-ZDUSSCGKSA-N 2 2 291.395 0.857 20 0 CCADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1COCC[NH2+]1 ZINC000662886690 414869875 /nfs/dbraw/zinc/86/98/75/414869875.db2.gz KJMKZTQUEWDNJQ-OLZOCXBDSA-N 2 2 269.389 0.211 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900375 414880625 /nfs/dbraw/zinc/88/06/25/414880625.db2.gz LCRRFZGTFDLVKY-ZFWWWQNUSA-N 3 2 296.459 0.469 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900375 414880627 /nfs/dbraw/zinc/88/06/27/414880627.db2.gz LCRRFZGTFDLVKY-ZFWWWQNUSA-N 3 2 296.459 0.469 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000662901080 414880724 /nfs/dbraw/zinc/88/07/24/414880724.db2.gz CSDIORWSVFTFLP-BXUZGUMPSA-N 2 2 280.372 0.706 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H]1C[NH2+]CCO1 ZINC000662900035 414881434 /nfs/dbraw/zinc/88/14/34/414881434.db2.gz KXOBZHWBXUYCTG-NXEZZACHSA-N 2 2 252.318 0.069 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662901708 414883072 /nfs/dbraw/zinc/88/30/72/414883072.db2.gz YNUJBQJQMBXZOL-KCQAQPDRSA-N 3 2 296.459 0.597 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662901708 414883076 /nfs/dbraw/zinc/88/30/76/414883076.db2.gz YNUJBQJQMBXZOL-KCQAQPDRSA-N 3 2 296.459 0.597 20 0 CCADLP C[C@@]1(C(=O)N(CC[NH+]2CCOCC2)CC2CC2)CCC[NH2+]1 ZINC000662911123 414887092 /nfs/dbraw/zinc/88/70/92/414887092.db2.gz RRWKZWHVHOVQJI-INIZCTEOSA-N 2 2 295.427 0.699 20 0 CCADLP C[C@@H](NC(=O)[C@H]1CC[NH2+]CC1(F)F)c1[nH+]ccn1C ZINC000662934911 414904082 /nfs/dbraw/zinc/90/40/82/414904082.db2.gz RCQMVSMQGAUPSV-RKDXNWHRSA-N 2 2 272.299 0.842 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000663371941 415051167 /nfs/dbraw/zinc/05/11/67/415051167.db2.gz BUINDDBSGKLYHV-ZBFHGGJFSA-N 2 2 277.412 0.773 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000663371941 415051173 /nfs/dbraw/zinc/05/11/73/415051173.db2.gz BUINDDBSGKLYHV-ZBFHGGJFSA-N 2 2 277.412 0.773 20 0 CCADLP CC[NH+](CC)CCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000663401312 415056693 /nfs/dbraw/zinc/05/66/93/415056693.db2.gz JVQUEJQKVSATDQ-CQSZACIVSA-N 2 2 298.431 0.444 20 0 CCADLP CC[NH+]1CCN(CCNc2nc[nH+]c(C)c2OC)CC1 ZINC000663400078 415057874 /nfs/dbraw/zinc/05/78/74/415057874.db2.gz XJCNNYVNSLMUFT-UHFFFAOYSA-N 2 2 279.388 0.843 20 0 CCADLP Cc1cc(CO)cc(N2CC[N@@H+]3CCOC[C@H]3C2)[nH+]1 ZINC000663797539 415138296 /nfs/dbraw/zinc/13/82/96/415138296.db2.gz OVICJPZQHLPDOJ-CYBMUJFWSA-N 2 2 263.341 0.403 20 0 CCADLP Cc1cc(CO)cc(N2CC[N@H+]3CCOC[C@H]3C2)[nH+]1 ZINC000663797539 415138301 /nfs/dbraw/zinc/13/83/01/415138301.db2.gz OVICJPZQHLPDOJ-CYBMUJFWSA-N 2 2 263.341 0.403 20 0 CCADLP CCN(C(=O)NCC[NH+]1CCOC[C@H]1C)[C@H]1CC[N@H+](C)C1 ZINC000663992082 415197263 /nfs/dbraw/zinc/19/72/63/415197263.db2.gz VNYNYMCTLDXGNC-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP CCN(C(=O)NCC[NH+]1CCOC[C@H]1C)[C@H]1CC[N@@H+](C)C1 ZINC000663992082 415197268 /nfs/dbraw/zinc/19/72/68/415197268.db2.gz VNYNYMCTLDXGNC-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP CCN(C(=O)NCC[N@@H+]1CCOC[C@H]1C)[C@H]1CC[NH+](C)C1 ZINC000663992082 415197274 /nfs/dbraw/zinc/19/72/74/415197274.db2.gz VNYNYMCTLDXGNC-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP CCN(C(=O)NCC[N@H+]1CCOC[C@H]1C)[C@H]1CC[NH+](C)C1 ZINC000663992082 415197279 /nfs/dbraw/zinc/19/72/79/415197279.db2.gz VNYNYMCTLDXGNC-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1CCSC1 ZINC000664239241 415289461 /nfs/dbraw/zinc/28/94/61/415289461.db2.gz BMSWRFMYTUYKQQ-LBPRGKRZSA-N 2 2 288.461 0.675 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1CCSC1 ZINC000664239241 415289469 /nfs/dbraw/zinc/28/94/69/415289469.db2.gz BMSWRFMYTUYKQQ-LBPRGKRZSA-N 2 2 288.461 0.675 20 0 CCADLP Cc1nc(NCC[N@H+](C)CCC[NH+](C)C)nc(N(C)C)n1 ZINC000664247565 415300677 /nfs/dbraw/zinc/30/06/77/415300677.db2.gz BICHAAIGOWBFJP-UHFFFAOYSA-N 2 2 295.435 0.541 20 0 CCADLP Cc1nc(NCC[N@@H+](C)CCC[NH+](C)C)nc(N(C)C)n1 ZINC000664247565 415300683 /nfs/dbraw/zinc/30/06/83/415300683.db2.gz BICHAAIGOWBFJP-UHFFFAOYSA-N 2 2 295.435 0.541 20 0 CCADLP Cc1nc(NCC[N@H+](C)CCC[NH+](C)C)nc(N(C)C)[nH+]1 ZINC000664247565 415300688 /nfs/dbraw/zinc/30/06/88/415300688.db2.gz BICHAAIGOWBFJP-UHFFFAOYSA-N 3 2 295.435 0.541 20 0 CCADLP Cc1nc(NCC[N@@H+](C)CCC[NH+](C)C)nc(N(C)C)[nH+]1 ZINC000664247565 415300696 /nfs/dbraw/zinc/30/06/96/415300696.db2.gz BICHAAIGOWBFJP-UHFFFAOYSA-N 3 2 295.435 0.541 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC1CC=CC1 ZINC000664430190 415384439 /nfs/dbraw/zinc/38/44/39/415384439.db2.gz WTTAPJFRFGRWRO-UHFFFAOYSA-N 2 2 268.405 0.888 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC1CC=CC1 ZINC000664430190 415384444 /nfs/dbraw/zinc/38/44/44/415384444.db2.gz WTTAPJFRFGRWRO-UHFFFAOYSA-N 2 2 268.405 0.888 20 0 CCADLP CCN(C(=O)NCCc1cn(C)c[nH+]1)[C@@H]1CC[N@H+](C)C1 ZINC000665109265 415538939 /nfs/dbraw/zinc/53/89/39/415538939.db2.gz GRDHKDGYTAKHCA-CYBMUJFWSA-N 2 2 279.388 0.698 20 0 CCADLP CCN(C(=O)NCCc1cn(C)c[nH+]1)[C@@H]1CC[N@@H+](C)C1 ZINC000665109265 415538945 /nfs/dbraw/zinc/53/89/45/415538945.db2.gz GRDHKDGYTAKHCA-CYBMUJFWSA-N 2 2 279.388 0.698 20 0 CCADLP Cc1cncc(CC[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)n1 ZINC000665274739 415583701 /nfs/dbraw/zinc/58/37/01/415583701.db2.gz XGMJUOMEHCHAJS-SMDDNHRTSA-N 2 2 264.373 0.684 20 0 CCADLP CC1CCC([NH2+]CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000020050264 544418361 /nfs/dbraw/zinc/41/83/61/544418361.db2.gz PTTCHEBNMVFJCB-UHFFFAOYSA-N 2 2 253.390 0.929 20 0 CCADLP C[C@H]1CCC[N@H+](CCN2C(=O)CCC2=O)[C@@H]1C[NH3+] ZINC000070178076 544450823 /nfs/dbraw/zinc/45/08/23/544450823.db2.gz KUMUTPSXYWDFCL-WDEREUQCSA-N 2 2 253.346 0.195 20 0 CCADLP C[C@H]1CCC[N@@H+](CCN2C(=O)CCC2=O)[C@@H]1C[NH3+] ZINC000070178076 544450827 /nfs/dbraw/zinc/45/08/27/544450827.db2.gz KUMUTPSXYWDFCL-WDEREUQCSA-N 2 2 253.346 0.195 20 0 CCADLP CC(C)n1ccc(C[N@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000085167726 544492860 /nfs/dbraw/zinc/49/28/60/544492860.db2.gz HUQYLXJKICGCTQ-UHFFFAOYSA-N 2 2 265.405 0.801 20 0 CCADLP CC(C)n1ccc(C[N@@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000085167726 544492864 /nfs/dbraw/zinc/49/28/64/544492864.db2.gz HUQYLXJKICGCTQ-UHFFFAOYSA-N 2 2 265.405 0.801 20 0 CCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1nccs1 ZINC000080308479 544478542 /nfs/dbraw/zinc/47/85/42/544478542.db2.gz IPUDLNSDVHKRHH-JTQLQIEISA-N 2 2 268.386 0.568 20 0 CCADLP CS(=O)(=O)N1CCC([NH2+]CC[NH+]2CCCC2)CC1 ZINC000221785992 544818400 /nfs/dbraw/zinc/81/84/00/544818400.db2.gz FDKBAHSXDCBPBW-UHFFFAOYSA-N 2 2 275.418 0.096 20 0 CCADLP CCCn1nccc1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000227933569 544840805 /nfs/dbraw/zinc/84/08/05/544840805.db2.gz CINILQOBDWYPTC-CYBMUJFWSA-N 2 2 254.378 0.695 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccc(O)cc2)CC1 ZINC000228412699 544843162 /nfs/dbraw/zinc/84/31/62/544843162.db2.gz HLDCXBURACOTNZ-UHFFFAOYSA-N 2 2 263.341 0.256 20 0 CCADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CC(=O)N(C3CC3)C2=O)C1 ZINC000250596902 544923937 /nfs/dbraw/zinc/92/39/37/544923937.db2.gz IXLIBYRPRFACCD-JQWIXIFHSA-N 2 2 265.357 0.208 20 0 CCADLP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CC(=O)N(C3CC3)C2=O)C1 ZINC000250596902 544923939 /nfs/dbraw/zinc/92/39/39/544923939.db2.gz IXLIBYRPRFACCD-JQWIXIFHSA-N 2 2 265.357 0.208 20 0 CCADLP CCc1nn(C)cc1CN1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000252758267 544931984 /nfs/dbraw/zinc/93/19/84/544931984.db2.gz FMQNQXXZLZQAJW-GFCCVEGCSA-N 2 2 251.378 0.057 20 0 CCADLP CCc1nn(C)cc1CN1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000252758267 544931989 /nfs/dbraw/zinc/93/19/89/544931989.db2.gz FMQNQXXZLZQAJW-GFCCVEGCSA-N 2 2 251.378 0.057 20 0 CCADLP C[C@@H]1CC[N@H+](CCN2C(=O)NC(C)(C)C2=O)[C@H](C[NH3+])C1 ZINC000261634184 544935991 /nfs/dbraw/zinc/93/59/91/544935991.db2.gz DKOVRVYODDZTPR-MNOVXSKESA-N 2 2 282.388 0.376 20 0 CCADLP C[C@@H]1CC[N@@H+](CCN2C(=O)NC(C)(C)C2=O)[C@H](C[NH3+])C1 ZINC000261634184 544935994 /nfs/dbraw/zinc/93/59/94/544935994.db2.gz DKOVRVYODDZTPR-MNOVXSKESA-N 2 2 282.388 0.376 20 0 CCADLP CC1CC[NH+](CCN(CCO)CC[NH+]2CCOCC2)CC1 ZINC000305151477 544988208 /nfs/dbraw/zinc/98/82/08/544988208.db2.gz OUWBKZYCUNNWOJ-UHFFFAOYSA-N 2 2 299.459 0.345 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000333786789 545043031 /nfs/dbraw/zinc/04/30/31/545043031.db2.gz FNBMGEPAOADPNM-RDBSUJKOSA-N 2 2 298.431 0.489 20 0 CCADLP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334229483 545045685 /nfs/dbraw/zinc/04/56/85/545045685.db2.gz IHNKLJQJPHHATN-ZYHUDNBSSA-N 2 2 273.327 0.586 20 0 CCADLP COC[C@H]([NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000347776640 545062981 /nfs/dbraw/zinc/06/29/81/545062981.db2.gz AKULIXLZMITHAB-NEBZKDRISA-N 2 2 286.416 0.471 20 0 CCADLP COC[C@H]([NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000347776640 545062982 /nfs/dbraw/zinc/06/29/82/545062982.db2.gz AKULIXLZMITHAB-NEBZKDRISA-N 2 2 286.416 0.471 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCO[C@H](C)C1 ZINC000523440686 260223444 /nfs/dbraw/zinc/22/34/44/260223444.db2.gz NIJOMOBXEUUTNR-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000523440686 260223445 /nfs/dbraw/zinc/22/34/45/260223445.db2.gz NIJOMOBXEUUTNR-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000523440686 260223447 /nfs/dbraw/zinc/22/34/47/260223447.db2.gz NIJOMOBXEUUTNR-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCc2c[nH+]cn2C)CC[N@@H+]1C ZINC000356781319 545077614 /nfs/dbraw/zinc/07/76/14/545077614.db2.gz PRCXYVRDCWDLFS-QWRGUYRKSA-N 2 2 250.346 0.767 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCc2c[nH+]cn2C)CC[N@H+]1C ZINC000356781319 545077616 /nfs/dbraw/zinc/07/76/16/545077616.db2.gz PRCXYVRDCWDLFS-QWRGUYRKSA-N 2 2 250.346 0.767 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@@H](OCCO)C2)n1C ZINC000331240400 264176353 /nfs/dbraw/zinc/17/63/53/264176353.db2.gz LPMMPJPEMAKEOZ-CYBMUJFWSA-N 2 2 282.388 0.459 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@@H](OCCO)C2)n1C ZINC000331240400 264176355 /nfs/dbraw/zinc/17/63/55/264176355.db2.gz LPMMPJPEMAKEOZ-CYBMUJFWSA-N 2 2 282.388 0.459 20 0 CCADLP C(C[C@H]1CCC[NH2+]1)[NH2+][C@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423355254 275394493 /nfs/dbraw/zinc/39/44/93/275394493.db2.gz FBPUIUHKAQUTKA-KBXIAJHMSA-N 3 2 267.417 0.875 20 0 CCADLP CCN1C(=O)[C@@H]2C[N@H+](CC[C@H]3CCC[NH+]3C)CCN2C1=O ZINC000363459217 276356938 /nfs/dbraw/zinc/35/69/38/276356938.db2.gz IPOCWCADIUNJFV-OLZOCXBDSA-N 2 2 294.399 0.439 20 0 CCADLP CCN1C(=O)[C@@H]2C[N@@H+](CC[C@H]3CCC[NH+]3C)CCN2C1=O ZINC000363459217 276356940 /nfs/dbraw/zinc/35/69/40/276356940.db2.gz IPOCWCADIUNJFV-OLZOCXBDSA-N 2 2 294.399 0.439 20 0 CCADLP CCN1C(=O)[C@@H]2C[NH+](CC[C@H]3CCC[N@@H+]3C)CCN2C1=O ZINC000363459217 276356941 /nfs/dbraw/zinc/35/69/41/276356941.db2.gz IPOCWCADIUNJFV-OLZOCXBDSA-N 2 2 294.399 0.439 20 0 CCADLP CCN1C(=O)[C@@H]2C[NH+](CC[C@H]3CCC[N@H+]3C)CCN2C1=O ZINC000363459217 276356943 /nfs/dbraw/zinc/35/69/43/276356943.db2.gz IPOCWCADIUNJFV-OLZOCXBDSA-N 2 2 294.399 0.439 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1CS(N)(=O)=O ZINC000407948656 277060000 /nfs/dbraw/zinc/06/00/00/277060000.db2.gz JWJPLPTZKUTATM-VXGBXAGGSA-N 2 2 275.418 0.224 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1CS(N)(=O)=O ZINC000407948656 277060001 /nfs/dbraw/zinc/06/00/01/277060001.db2.gz JWJPLPTZKUTATM-VXGBXAGGSA-N 2 2 275.418 0.224 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000407948656 277060003 /nfs/dbraw/zinc/06/00/03/277060003.db2.gz JWJPLPTZKUTATM-VXGBXAGGSA-N 2 2 275.418 0.224 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000407948656 277060004 /nfs/dbraw/zinc/06/00/04/277060004.db2.gz JWJPLPTZKUTATM-VXGBXAGGSA-N 2 2 275.418 0.224 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN2C(=O)CC[C@H]2C1 ZINC000334319391 277060627 /nfs/dbraw/zinc/06/06/27/277060627.db2.gz XUPVILRAOAHJPP-OLZOCXBDSA-N 2 2 251.374 0.777 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN2C(=O)CC[C@H]2C1 ZINC000334319391 277060629 /nfs/dbraw/zinc/06/06/29/277060629.db2.gz XUPVILRAOAHJPP-OLZOCXBDSA-N 2 2 251.374 0.777 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000334319391 277060630 /nfs/dbraw/zinc/06/06/30/277060630.db2.gz XUPVILRAOAHJPP-OLZOCXBDSA-N 2 2 251.374 0.777 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000334319391 277060631 /nfs/dbraw/zinc/06/06/31/277060631.db2.gz XUPVILRAOAHJPP-OLZOCXBDSA-N 2 2 251.374 0.777 20 0 CCADLP C[N@@H+]1CCN(C(=O)Nc2ccc(Cl)cn2)[C@@H](C[NH3+])C1 ZINC000515615812 277092849 /nfs/dbraw/zinc/09/28/49/277092849.db2.gz UUODGTDLZGTJCU-JTQLQIEISA-N 2 2 283.763 0.842 20 0 CCADLP C[N@H+]1CCN(C(=O)Nc2ccc(Cl)cn2)[C@@H](C[NH3+])C1 ZINC000515615812 277092851 /nfs/dbraw/zinc/09/28/51/277092851.db2.gz UUODGTDLZGTJCU-JTQLQIEISA-N 2 2 283.763 0.842 20 0 CCADLP C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC000346305675 277185213 /nfs/dbraw/zinc/18/52/13/277185213.db2.gz ZBPMQXVOWFIKRL-BBRMVZONSA-N 2 2 288.395 1.000 20 0 CCADLP C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC000346305675 277185214 /nfs/dbraw/zinc/18/52/14/277185214.db2.gz ZBPMQXVOWFIKRL-BBRMVZONSA-N 2 2 288.395 1.000 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365402365 277208802 /nfs/dbraw/zinc/20/88/02/277208802.db2.gz IVIQAMQFGRGEBV-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365402365 277208804 /nfs/dbraw/zinc/20/88/04/277208804.db2.gz IVIQAMQFGRGEBV-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP COCC[N@H+](C)CCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000488574329 277213233 /nfs/dbraw/zinc/21/32/33/277213233.db2.gz CYHNXZSHQMTEFP-GFCCVEGCSA-N 2 2 295.387 0.075 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000488574329 277213235 /nfs/dbraw/zinc/21/32/35/277213235.db2.gz CYHNXZSHQMTEFP-GFCCVEGCSA-N 2 2 295.387 0.075 20 0 CCADLP COCC[N@@H+]1CC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261894367 277227315 /nfs/dbraw/zinc/22/73/15/277227315.db2.gz GYOIJBBFIAEZAU-JJXSEGSLSA-N 2 2 297.443 0.454 20 0 CCADLP COCC[N@H+]1CC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261894367 277227317 /nfs/dbraw/zinc/22/73/17/277227317.db2.gz GYOIJBBFIAEZAU-JJXSEGSLSA-N 2 2 297.443 0.454 20 0 CCADLP C[NH2+]CCC[NH+]1CCN(c2nc(C)cc(C)n2)CC1 ZINC000420352954 277267716 /nfs/dbraw/zinc/26/77/16/277267716.db2.gz BBQGPYKKCOFTFE-UHFFFAOYSA-N 2 2 263.389 0.825 20 0 CCADLP C[NH2+]CC[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000420342382 277270623 /nfs/dbraw/zinc/27/06/23/277270623.db2.gz WVVCGUZLTYVEKU-UHFFFAOYSA-N 3 2 256.438 0.554 20 0 CCADLP C[NH2+]CC[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000420342382 277270624 /nfs/dbraw/zinc/27/06/24/277270624.db2.gz WVVCGUZLTYVEKU-UHFFFAOYSA-N 3 2 256.438 0.554 20 0 CCADLP COC(=O)[C@@H]1CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000332708584 277353683 /nfs/dbraw/zinc/35/36/83/277353683.db2.gz OLVWDGKWGDZMGT-SNVBAGLBSA-N 2 2 266.345 0.481 20 0 CCADLP COC(=O)[C@@H]1CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000332708584 277353685 /nfs/dbraw/zinc/35/36/85/277353685.db2.gz OLVWDGKWGDZMGT-SNVBAGLBSA-N 2 2 266.345 0.481 20 0 CCADLP CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425374614 277668135 /nfs/dbraw/zinc/66/81/35/277668135.db2.gz XNYMRHRQIRWGRE-DGCLKSJQSA-N 2 2 282.388 0.627 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000236662894 277895768 /nfs/dbraw/zinc/89/57/68/277895768.db2.gz BJBNQUSKHWEOPY-STQMWFEESA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@](C[NH3+])([NH2+]CC(=O)Nc1nccs1)C1CC1 ZINC000430553033 278115050 /nfs/dbraw/zinc/11/50/50/278115050.db2.gz SQBRXRTUYNVFNS-NSHDSACASA-N 2 2 254.359 0.799 20 0 CCADLP C[C@H](CN1CCOCC1)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000352715844 278194779 /nfs/dbraw/zinc/19/47/79/278194779.db2.gz GOPKZVLWIUAJHP-NFAWXSAZSA-N 2 2 267.417 0.779 20 0 CCADLP C[C@H](CN1CCOCC1)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000352715844 278194781 /nfs/dbraw/zinc/19/47/81/278194781.db2.gz GOPKZVLWIUAJHP-NFAWXSAZSA-N 2 2 267.417 0.779 20 0 CCADLP CCC[C@](C)(O)C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422977159 278968972 /nfs/dbraw/zinc/96/89/72/278968972.db2.gz JPMQFYKSMSMNAX-RDBSUJKOSA-N 2 2 256.390 0.894 20 0 CCADLP CCC[C@]1([NH2+]CC(=O)N2CC[NH+](C)CC2)CCOC1 ZINC000352835694 278979542 /nfs/dbraw/zinc/97/95/42/278979542.db2.gz ZNFVYJHAPSBMFS-AWEZNQCLSA-N 2 2 269.389 0.309 20 0 CCADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NC2CC2)C1 ZINC000362396662 279037178 /nfs/dbraw/zinc/03/71/78/279037178.db2.gz CJEMDOULAXSSQD-NEPJUHHUSA-N 2 2 253.390 0.927 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NC2CC2)C1 ZINC000362396662 279037180 /nfs/dbraw/zinc/03/71/80/279037180.db2.gz CJEMDOULAXSSQD-NEPJUHHUSA-N 2 2 253.390 0.927 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC2CC2)C1 ZINC000362396662 279037181 /nfs/dbraw/zinc/03/71/81/279037181.db2.gz CJEMDOULAXSSQD-NEPJUHHUSA-N 2 2 253.390 0.927 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)NC2CC2)C1 ZINC000362396662 279037184 /nfs/dbraw/zinc/03/71/84/279037184.db2.gz CJEMDOULAXSSQD-NEPJUHHUSA-N 2 2 253.390 0.927 20 0 CCADLP CC[N@H+](CC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)C1CC1 ZINC000456199617 279054749 /nfs/dbraw/zinc/05/47/49/279054749.db2.gz HLLIEMCECSPZLR-OKILXGFUSA-N 2 2 281.400 0.450 20 0 CCADLP CC[N@@H+](CC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)C1CC1 ZINC000456199617 279054750 /nfs/dbraw/zinc/05/47/50/279054750.db2.gz HLLIEMCECSPZLR-OKILXGFUSA-N 2 2 281.400 0.450 20 0 CCADLP CC[NH+](CC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C1CC1 ZINC000456199617 279054752 /nfs/dbraw/zinc/05/47/52/279054752.db2.gz HLLIEMCECSPZLR-OKILXGFUSA-N 2 2 281.400 0.450 20 0 CCADLP CC[NH+](CC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C1CC1 ZINC000456199617 279054754 /nfs/dbraw/zinc/05/47/54/279054754.db2.gz HLLIEMCECSPZLR-OKILXGFUSA-N 2 2 281.400 0.450 20 0 CCADLP CC(C)C[C@H](CNC(=O)[C@]12C[C@H]1CC[NH2+]2)[NH+]1CCOCC1 ZINC000423312818 279161707 /nfs/dbraw/zinc/16/17/07/279161707.db2.gz DTIDTVJEZOOFLV-FMKPAKJESA-N 2 2 295.427 0.602 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000330364859 279171295 /nfs/dbraw/zinc/17/12/95/279171295.db2.gz YWESQKPVNOTMOE-NSHDSACASA-N 2 2 257.359 0.310 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000330364859 279171297 /nfs/dbraw/zinc/17/12/97/279171297.db2.gz YWESQKPVNOTMOE-NSHDSACASA-N 2 2 257.359 0.310 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262906294 279299036 /nfs/dbraw/zinc/29/90/36/279299036.db2.gz FFNGYTCTRZHTOL-MNOVXSKESA-N 2 2 275.343 0.926 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262906294 279299038 /nfs/dbraw/zinc/29/90/38/279299038.db2.gz FFNGYTCTRZHTOL-MNOVXSKESA-N 2 2 275.343 0.926 20 0 CCADLP CC(C)N(C)C(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000335306150 279324624 /nfs/dbraw/zinc/32/46/24/279324624.db2.gz JCEYLSMVAZJGPG-AWEZNQCLSA-N 2 2 253.390 0.881 20 0 CCADLP CC(C)N(C)C(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000335306150 279324626 /nfs/dbraw/zinc/32/46/26/279324626.db2.gz JCEYLSMVAZJGPG-AWEZNQCLSA-N 2 2 253.390 0.881 20 0 CCADLP CC(C)N(C)C(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000335306150 279324627 /nfs/dbraw/zinc/32/46/27/279324627.db2.gz JCEYLSMVAZJGPG-AWEZNQCLSA-N 2 2 253.390 0.881 20 0 CCADLP CC(C)N(C)C(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000335306150 279324629 /nfs/dbraw/zinc/32/46/29/279324629.db2.gz JCEYLSMVAZJGPG-AWEZNQCLSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)[C@@H](C)N1CCOCC1 ZINC000422743899 279369782 /nfs/dbraw/zinc/36/97/82/279369782.db2.gz SCPJGWCEBKPZBS-KBUPBQIOSA-N 2 2 285.432 0.452 20 0 CCADLP CC(C)[C@@H](C[NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000433169961 279834174 /nfs/dbraw/zinc/83/41/74/279834174.db2.gz UEDJNZFSRANFIL-UONOGXRCSA-N 2 2 283.416 0.541 20 0 CCADLP C[C@@H]1CN(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)[C@@H](C)C[N@@H+]1C ZINC000343581094 288176099 /nfs/dbraw/zinc/17/60/99/288176099.db2.gz LMUFCYTXAYBILI-BARDWOONSA-N 2 2 267.417 0.874 20 0 CCADLP C[C@@H]1CN(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)[C@@H](C)C[N@H+]1C ZINC000343581094 288176100 /nfs/dbraw/zinc/17/61/00/288176100.db2.gz LMUFCYTXAYBILI-BARDWOONSA-N 2 2 267.417 0.874 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)[C@@H](C)C[NH+]1C ZINC000343581094 288176103 /nfs/dbraw/zinc/17/61/03/288176103.db2.gz LMUFCYTXAYBILI-BARDWOONSA-N 2 2 267.417 0.874 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)[C@@H](C)C[NH+]1C ZINC000343581094 288176108 /nfs/dbraw/zinc/17/61/08/288176108.db2.gz LMUFCYTXAYBILI-BARDWOONSA-N 2 2 267.417 0.874 20 0 CCADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[NH+](C2CCC2)CC1 ZINC000263295479 280076936 /nfs/dbraw/zinc/07/69/36/280076936.db2.gz WGHWWIYEAYLDIQ-NSHDSACASA-N 2 2 273.327 0.680 20 0 CCADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000449213313 280076966 /nfs/dbraw/zinc/07/69/66/280076966.db2.gz VFSRKAKXAQPASA-TUAOUCFPSA-N 2 2 287.354 0.832 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@H]1C[C@H](C)CC[NH2+]1)[NH+]1CCOCC1 ZINC000423308105 280252131 /nfs/dbraw/zinc/25/21/31/280252131.db2.gz XJOKGRYNCICFDU-KFWWJZLASA-N 2 2 297.443 0.848 20 0 CCADLP CC[C@H](C(N)=O)[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000104949836 280702166 /nfs/dbraw/zinc/70/21/66/280702166.db2.gz ONVPKSLCFGPIIY-SOUVJXGZSA-N 2 2 296.459 0.741 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000155774441 280782526 /nfs/dbraw/zinc/78/25/26/280782526.db2.gz RFZXUARQJXQPBX-DGAVXFQQSA-N 2 2 283.416 0.539 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)C1([NH3+])CCCCC1 ZINC000262625406 281285132 /nfs/dbraw/zinc/28/51/32/281285132.db2.gz BNRKQKRUEOOHJZ-UHFFFAOYSA-N 2 2 283.416 0.875 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)C1([NH3+])CCCCC1 ZINC000262625406 281285133 /nfs/dbraw/zinc/28/51/33/281285133.db2.gz BNRKQKRUEOOHJZ-UHFFFAOYSA-N 2 2 283.416 0.875 20 0 CCADLP C[NH+](C)C/C=C\C(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000493331842 289039435 /nfs/dbraw/zinc/03/94/35/289039435.db2.gz GQJQUFRHAGLLIQ-XVWMLYKFSA-N 2 2 295.427 0.673 20 0 CCADLP C[NH+](C)C/C=C\C(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000493331842 289039439 /nfs/dbraw/zinc/03/94/39/289039439.db2.gz GQJQUFRHAGLLIQ-XVWMLYKFSA-N 2 2 295.427 0.673 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCOC[C@@H]2C2CCC2)CC1 ZINC000516865484 290012240 /nfs/dbraw/zinc/01/22/40/290012240.db2.gz KVIFGCDGICRCBG-CQSZACIVSA-N 2 2 281.400 0.261 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCOC[C@@H]2C2CCC2)CC1 ZINC000516865484 290012244 /nfs/dbraw/zinc/01/22/44/290012244.db2.gz KVIFGCDGICRCBG-CQSZACIVSA-N 2 2 281.400 0.261 20 0 CCADLP C[C@H](O)CN(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371408682 290075675 /nfs/dbraw/zinc/07/56/75/290075675.db2.gz IKTOYICWKRSOJX-STQMWFEESA-N 2 2 298.431 0.177 20 0 CCADLP C[C@H](O)CN(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371408682 290075678 /nfs/dbraw/zinc/07/56/78/290075678.db2.gz IKTOYICWKRSOJX-STQMWFEESA-N 2 2 298.431 0.177 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)[C@H]2CCC[C@H]21 ZINC000423492003 290219537 /nfs/dbraw/zinc/21/95/37/290219537.db2.gz LCZSMTSUWULDRG-LJISPDSOSA-N 3 2 267.417 0.827 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)[C@H]2CCC[C@H]21 ZINC000423492003 290219539 /nfs/dbraw/zinc/21/95/39/290219539.db2.gz LCZSMTSUWULDRG-LJISPDSOSA-N 3 2 267.417 0.827 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000261813430 297027887 /nfs/dbraw/zinc/02/78/87/297027887.db2.gz HWJJZTUOFFSUMM-IKGGRYGDSA-N 3 2 294.487 0.944 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000261813430 297027888 /nfs/dbraw/zinc/02/78/88/297027888.db2.gz HWJJZTUOFFSUMM-IKGGRYGDSA-N 3 2 294.487 0.944 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCSC[C@@H]1CO ZINC000388102140 545086132 /nfs/dbraw/zinc/08/61/32/545086132.db2.gz VMIDKDTZOVTNOB-RYUDHWBXSA-N 2 2 262.419 0.097 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCSC[C@@H]1CO ZINC000388102140 545086133 /nfs/dbraw/zinc/08/61/33/545086133.db2.gz VMIDKDTZOVTNOB-RYUDHWBXSA-N 2 2 262.419 0.097 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCSC[C@@H]1CO ZINC000388102140 545086134 /nfs/dbraw/zinc/08/61/34/545086134.db2.gz VMIDKDTZOVTNOB-RYUDHWBXSA-N 2 2 262.419 0.097 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCSC[C@@H]1CO ZINC000388102140 545086135 /nfs/dbraw/zinc/08/61/35/545086135.db2.gz VMIDKDTZOVTNOB-RYUDHWBXSA-N 2 2 262.419 0.097 20 0 CCADLP C[C@H](C(=O)N1C[C@H](C)[NH+](C)[C@@H](C)C1)[NH+]1CCSCC1 ZINC000358715101 298103918 /nfs/dbraw/zinc/10/39/18/298103918.db2.gz MVYQGZVPQGUZKY-RWMBFGLXSA-N 2 2 285.457 0.975 20 0 CCADLP C[C@H](CCN1CCOCC1)[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422910013 298431239 /nfs/dbraw/zinc/43/12/39/298431239.db2.gz HFPMNCKZAZXYDU-BMFZPTHFSA-N 2 2 297.443 0.454 20 0 CCADLP C[C@H]1COC(C)(C)C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000488235931 300332832 /nfs/dbraw/zinc/33/28/32/300332832.db2.gz UQCXOKZQVJGOFQ-LBPRGKRZSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@H]1COC(C)(C)C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000488235931 300332835 /nfs/dbraw/zinc/33/28/35/300332835.db2.gz UQCXOKZQVJGOFQ-LBPRGKRZSA-N 2 2 269.389 0.260 20 0 CCADLP Cc1c[nH]nc1C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000414768701 301033187 /nfs/dbraw/zinc/03/31/87/301033187.db2.gz VNCCMKCELRBLAO-GFCCVEGCSA-N 2 2 279.388 0.538 20 0 CCADLP Cc1c[nH]nc1C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000414768701 301033189 /nfs/dbraw/zinc/03/31/89/301033189.db2.gz VNCCMKCELRBLAO-GFCCVEGCSA-N 2 2 279.388 0.538 20 0 CCADLP Cc1cn[nH]c1C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000414768701 301033191 /nfs/dbraw/zinc/03/31/91/301033191.db2.gz VNCCMKCELRBLAO-GFCCVEGCSA-N 2 2 279.388 0.538 20 0 CCADLP Cc1cn[nH]c1C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000414768701 301033193 /nfs/dbraw/zinc/03/31/93/301033193.db2.gz VNCCMKCELRBLAO-GFCCVEGCSA-N 2 2 279.388 0.538 20 0 CCADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H](C)C[NH3+] ZINC000423324308 301202016 /nfs/dbraw/zinc/20/20/16/301202016.db2.gz KMFMEEJQJAJVFI-MNOVXSKESA-N 2 2 285.413 0.949 20 0 CCADLP OCC(CO)[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000582070520 327830651 /nfs/dbraw/zinc/83/06/51/327830651.db2.gz MSHQCVUXJXKWBD-UHFFFAOYSA-N 2 2 293.411 0.142 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC1[C@H]2C[N@H+](C/C=C\Cl)C[C@@H]12 ZINC000961149815 649865347 /nfs/dbraw/zinc/86/53/47/649865347.db2.gz MHHKFHVEDBNOHJ-OXNXRWSJSA-N 2 2 294.786 0.990 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC1[C@H]2C[N@@H+](C/C=C\Cl)C[C@@H]12 ZINC000961149815 649865349 /nfs/dbraw/zinc/86/53/49/649865349.db2.gz MHHKFHVEDBNOHJ-OXNXRWSJSA-N 2 2 294.786 0.990 20 0 CCADLP CCCNC(=S)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000749004139 581994079 /nfs/dbraw/zinc/99/40/79/581994079.db2.gz DVYWOWDTHHZYSD-UHFFFAOYSA-N 2 2 272.462 0.887 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](O)CC12CCC2 ZINC000582614703 329117842 /nfs/dbraw/zinc/11/78/42/329117842.db2.gz IJRNDWHEUGZMJJ-STQMWFEESA-N 2 2 256.390 0.678 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](O)CC12CCC2 ZINC000582614703 329117844 /nfs/dbraw/zinc/11/78/44/329117844.db2.gz IJRNDWHEUGZMJJ-STQMWFEESA-N 2 2 256.390 0.678 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000582614703 329117845 /nfs/dbraw/zinc/11/78/45/329117845.db2.gz IJRNDWHEUGZMJJ-STQMWFEESA-N 2 2 256.390 0.678 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](O)CC12CCC2 ZINC000582614703 329117847 /nfs/dbraw/zinc/11/78/47/329117847.db2.gz IJRNDWHEUGZMJJ-STQMWFEESA-N 2 2 256.390 0.678 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C[NH+]2CC(C)(C)C2)C[C@H](C)O1 ZINC000576837607 327043433 /nfs/dbraw/zinc/04/34/33/327043433.db2.gz QCRRCJFKPCKJFC-OKILXGFUSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C[NH+]2CC(C)(C)C2)C[C@H](C)O1 ZINC000576837607 327043434 /nfs/dbraw/zinc/04/34/34/327043434.db2.gz QCRRCJFKPCKJFC-OKILXGFUSA-N 2 2 297.443 0.896 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000584122853 327045304 /nfs/dbraw/zinc/04/53/04/327045304.db2.gz DNAMGOGNTKHJPA-QWRGUYRKSA-N 2 2 250.346 0.799 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000584122853 327045306 /nfs/dbraw/zinc/04/53/06/327045306.db2.gz DNAMGOGNTKHJPA-QWRGUYRKSA-N 2 2 250.346 0.799 20 0 CCADLP [NH3+][C@H](C(=O)NC[C@H]1C[NH2+]CCO1)c1c(F)cccc1F ZINC000573919921 327272488 /nfs/dbraw/zinc/27/24/88/327272488.db2.gz ZPMCXNJUDHHPSW-PELKAZGASA-N 2 2 285.294 0.069 20 0 CCADLP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000387569117 327353772 /nfs/dbraw/zinc/35/37/72/327353772.db2.gz IKRFVIRHWUBIFP-ZIAGYGMSSA-N 2 2 297.443 0.944 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCCNC(=O)C(C)(C)C)[C@H](C[NH3+])C1 ZINC000582485683 329096410 /nfs/dbraw/zinc/09/64/10/329096410.db2.gz ZWKJVNNQOBOGLG-GFCCVEGCSA-N 2 2 298.431 0.030 20 0 CCADLP CCn1cc[nH+]c1CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000394108514 329099930 /nfs/dbraw/zinc/09/99/30/329099930.db2.gz ZRXGKAUKZFYWPK-CYBMUJFWSA-N 2 2 263.389 0.383 20 0 CCADLP C[C@H](COc1ccccc1)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000582784391 329189943 /nfs/dbraw/zinc/18/99/43/329189943.db2.gz INOVXGJTQPKATM-KGLIPLIRSA-N 2 2 291.395 0.803 20 0 CCADLP C[C@H](COc1ccccc1)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000582784391 329189944 /nfs/dbraw/zinc/18/99/44/329189944.db2.gz INOVXGJTQPKATM-KGLIPLIRSA-N 2 2 291.395 0.803 20 0 CCADLP CO[C@H]1COCC[C@H]1C[NH2+]Cc1c[nH+]c(C)n1C ZINC000582975152 329297577 /nfs/dbraw/zinc/29/75/77/329297577.db2.gz DNYDBQZQYKXDTA-AAEUAGOBSA-N 2 2 253.346 0.870 20 0 CCADLP CC(C)[C@@H](NC(=O)c1cn(CCC[NH3+])nn1)c1[nH]cc[nH+]1 ZINC000583320707 329450960 /nfs/dbraw/zinc/45/09/60/329450960.db2.gz JLMBNUDYAONUEA-LLVKDONJSA-N 2 2 291.359 0.477 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000332999703 330878123 /nfs/dbraw/zinc/87/81/23/330878123.db2.gz GZGMUHTXYLLBNI-QWHCGFSZSA-N 2 2 292.383 0.282 20 0 CCADLP COc1c(N)[nH+]cnc1NCCNc1cccc(C)[nH+]1 ZINC000575881144 335128007 /nfs/dbraw/zinc/12/80/07/335128007.db2.gz ICIGINLBPDREFF-UHFFFAOYSA-N 2 2 274.328 0.717 20 0 CCADLP COc1c(N)nc[nH+]c1NCCNc1cccc(C)[nH+]1 ZINC000575881144 335128008 /nfs/dbraw/zinc/12/80/08/335128008.db2.gz ICIGINLBPDREFF-UHFFFAOYSA-N 2 2 274.328 0.717 20 0 CCADLP c1nc(N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc(N2CCOCC2)[nH+]1 ZINC000575903457 335129678 /nfs/dbraw/zinc/12/96/78/335129678.db2.gz CQMSKZNVOXUVDO-BETUJISGSA-N 2 2 289.383 0.644 20 0 CCADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NC1C[NH2+]C1 ZINC000576091858 335152151 /nfs/dbraw/zinc/15/21/51/335152151.db2.gz ZYSYFOKHOFHHBR-UHFFFAOYSA-N 2 2 285.351 0.702 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(OC)CC1 ZINC000311144859 334013634 /nfs/dbraw/zinc/01/36/34/334013634.db2.gz LXAIBISNIHWANC-GFCCVEGCSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(OC)CC1 ZINC000311144859 334013632 /nfs/dbraw/zinc/01/36/32/334013632.db2.gz LXAIBISNIHWANC-GFCCVEGCSA-N 2 2 260.378 0.036 20 0 CCADLP C[C@H](C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[NH+]1CC(C)C1 ZINC000553496911 334388520 /nfs/dbraw/zinc/38/85/20/334388520.db2.gz IDABFORTNQGUGJ-HUUCEWRRSA-N 2 2 295.427 0.507 20 0 CCADLP CN(CCC[NH+](C)C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000553548485 334391030 /nfs/dbraw/zinc/39/10/30/334391030.db2.gz GHJQXRVMTRFYJF-GFCCVEGCSA-N 2 2 264.373 0.856 20 0 CCADLP C[NH+](C)CC(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000565860058 334603668 /nfs/dbraw/zinc/60/36/68/334603668.db2.gz KOHFEFIXYPCCPA-UHFFFAOYSA-N 2 2 263.332 0.641 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1nnnn1-c1ccccc1 ZINC000576338032 335190894 /nfs/dbraw/zinc/19/08/94/335190894.db2.gz COHVYQDTRKJWGC-JSGCOSHPSA-N 2 2 286.383 0.792 20 0 CCADLP C[C@@H]1CC[C@@H](CCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])O1 ZINC000576581179 335221679 /nfs/dbraw/zinc/22/16/79/335221679.db2.gz DQQCKOYNYWGZTD-UPJWGTAASA-N 2 2 269.389 0.435 20 0 CCADLP C[C@@H]1CC[C@@H](CCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])O1 ZINC000576581179 335221680 /nfs/dbraw/zinc/22/16/80/335221680.db2.gz DQQCKOYNYWGZTD-UPJWGTAASA-N 2 2 269.389 0.435 20 0 CCADLP Cc1nn(C)c2ncc(CN3CC[N@H+](C)C[C@H]3C[NH3+])cc12 ZINC000576755456 335243937 /nfs/dbraw/zinc/24/39/37/335243937.db2.gz LROHJRSMMHRMRU-CYBMUJFWSA-N 2 2 288.399 0.351 20 0 CCADLP Cc1nn(C)c2ncc(CN3CC[N@@H+](C)C[C@H]3C[NH3+])cc12 ZINC000576755456 335243938 /nfs/dbraw/zinc/24/39/38/335243938.db2.gz LROHJRSMMHRMRU-CYBMUJFWSA-N 2 2 288.399 0.351 20 0 CCADLP CC1CC[NH+](C[C@H](O)C[NH2+]C[C@](C)(O)C(F)(F)F)CC1 ZINC000576943962 335267604 /nfs/dbraw/zinc/26/76/04/335267604.db2.gz NNOBHVQEISMFTJ-NEPJUHHUSA-N 2 2 298.349 0.982 20 0 CCADLP OC1(CC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CCC1 ZINC000580550502 335277592 /nfs/dbraw/zinc/27/75/92/335277592.db2.gz NAMCKTVAHGXOET-QWHCGFSZSA-N 2 2 254.374 0.648 20 0 CCADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2[nH]c[nH+]c2C)C1(C)C ZINC000379979834 335286027 /nfs/dbraw/zinc/28/60/27/335286027.db2.gz WASZOIFBNGEDQR-RISCZKNCSA-N 2 2 280.372 0.867 20 0 CCADLP C[C@H](C(=O)NC(C)(C)C[NH+]1CCOCC1)[NH+]1CC(C)C1 ZINC000577123436 335304373 /nfs/dbraw/zinc/30/43/73/335304373.db2.gz LZODEGKGWLNTLL-CYBMUJFWSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H](C[NH2+]Cc1c[nH+]c(N(C)C)n1C)S(C)(=O)=O ZINC000578881417 335684064 /nfs/dbraw/zinc/68/40/64/335684064.db2.gz SAKVBIURXYBRIK-VIFPVBQESA-N 2 2 274.390 0.009 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000581080425 336005811 /nfs/dbraw/zinc/00/58/11/336005811.db2.gz PXVYXEKESLESAW-MNOVXSKESA-N 2 2 262.357 0.725 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000581080425 336005813 /nfs/dbraw/zinc/00/58/13/336005813.db2.gz PXVYXEKESLESAW-MNOVXSKESA-N 2 2 262.357 0.725 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000581080425 336005817 /nfs/dbraw/zinc/00/58/17/336005817.db2.gz PXVYXEKESLESAW-MNOVXSKESA-N 2 2 262.357 0.725 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000581080425 336005819 /nfs/dbraw/zinc/00/58/19/336005819.db2.gz PXVYXEKESLESAW-MNOVXSKESA-N 2 2 262.357 0.725 20 0 CCADLP CCn1cc(C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)cn1 ZINC000581244157 336030309 /nfs/dbraw/zinc/03/03/09/336030309.db2.gz NIZPTSVIKSMZFL-UHFFFAOYSA-N 2 2 279.388 0.109 20 0 CCADLP CCn1cc(C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)cn1 ZINC000581244157 336030310 /nfs/dbraw/zinc/03/03/10/336030310.db2.gz NIZPTSVIKSMZFL-UHFFFAOYSA-N 2 2 279.388 0.109 20 0 CCADLP CCc1nnc(C2CC[NH+](C[C@H](O)C[N@@H+](C)CC)CC2)[nH]1 ZINC000581377561 336064441 /nfs/dbraw/zinc/06/44/41/336064441.db2.gz IIHZLZHUFMKZSG-CYBMUJFWSA-N 2 2 295.431 0.859 20 0 CCADLP CCc1nnc(C2CC[NH+](C[C@H](O)C[N@H+](C)CC)CC2)[nH]1 ZINC000581377561 336064443 /nfs/dbraw/zinc/06/44/43/336064443.db2.gz IIHZLZHUFMKZSG-CYBMUJFWSA-N 2 2 295.431 0.859 20 0 CCADLP CCc1n[nH]c(C2CC[NH+](C[C@H](O)C[N@@H+](C)CC)CC2)n1 ZINC000581377561 336064445 /nfs/dbraw/zinc/06/44/45/336064445.db2.gz IIHZLZHUFMKZSG-CYBMUJFWSA-N 2 2 295.431 0.859 20 0 CCADLP CCc1n[nH]c(C2CC[NH+](C[C@H](O)C[N@H+](C)CC)CC2)n1 ZINC000581377561 336064447 /nfs/dbraw/zinc/06/44/47/336064447.db2.gz IIHZLZHUFMKZSG-CYBMUJFWSA-N 2 2 295.431 0.859 20 0 CCADLP C[C@@H](NC(=O)NCC1CC[NH2+]CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000581537677 336096741 /nfs/dbraw/zinc/09/67/41/336096741.db2.gz AGOFZPMYTCJJGM-CHWSQXEVSA-N 2 2 298.431 0.394 20 0 CCADLP Cn1nc2c(c1C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)CCCC2 ZINC000581544183 336099156 /nfs/dbraw/zinc/09/91/56/336099156.db2.gz OWSONFHRXVEWSB-CYBMUJFWSA-N 2 2 292.427 0.844 20 0 CCADLP Cn1nc2c(c1C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)CCCC2 ZINC000581544183 336099158 /nfs/dbraw/zinc/09/91/58/336099158.db2.gz OWSONFHRXVEWSB-CYBMUJFWSA-N 2 2 292.427 0.844 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000581678686 336127459 /nfs/dbraw/zinc/12/74/59/336127459.db2.gz YKVJPZLNVRJHSE-NSHDSACASA-N 2 2 289.339 0.372 20 0 CCADLP C[C@@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)S(C)(=O)=O ZINC000581742475 336141403 /nfs/dbraw/zinc/14/14/03/336141403.db2.gz BFOGTFFYGITRDB-WISYIIOYSA-N 2 2 262.419 0.738 20 0 CCADLP C[C@@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)S(C)(=O)=O ZINC000581742475 336141404 /nfs/dbraw/zinc/14/14/04/336141404.db2.gz BFOGTFFYGITRDB-WISYIIOYSA-N 2 2 262.419 0.738 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC000581893372 336161882 /nfs/dbraw/zinc/16/18/82/336161882.db2.gz QBZLVZIBYJIESW-CQSZACIVSA-N 2 2 297.443 0.897 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)CC[NH+]2CCOC(C)(C)C2)C1 ZINC000581893372 336161883 /nfs/dbraw/zinc/16/18/83/336161883.db2.gz QBZLVZIBYJIESW-CQSZACIVSA-N 2 2 297.443 0.897 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000581893372 336161884 /nfs/dbraw/zinc/16/18/84/336161884.db2.gz QBZLVZIBYJIESW-CQSZACIVSA-N 2 2 297.443 0.897 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)C1 ZINC000581893372 336161885 /nfs/dbraw/zinc/16/18/85/336161885.db2.gz QBZLVZIBYJIESW-CQSZACIVSA-N 2 2 297.443 0.897 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)OC)CC1 ZINC000386334882 336171228 /nfs/dbraw/zinc/17/12/28/336171228.db2.gz KODBTJLMGZZYSA-LBPRGKRZSA-N 2 2 258.362 0.184 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)OC)CC1 ZINC000386334882 336171230 /nfs/dbraw/zinc/17/12/30/336171230.db2.gz KODBTJLMGZZYSA-LBPRGKRZSA-N 2 2 258.362 0.184 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CN2CCCC2=O)C1 ZINC000358013087 521729459 /nfs/dbraw/zinc/72/94/59/521729459.db2.gz IPZXWTFKPXUQKP-YNEHKIRRSA-N 2 2 253.390 0.927 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ncc[nH]1 ZINC000428233073 545094744 /nfs/dbraw/zinc/09/47/44/545094744.db2.gz XISNOMOIBFRFFC-NEPJUHHUSA-N 2 2 279.388 0.648 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ncc[nH]1 ZINC000428233073 545094745 /nfs/dbraw/zinc/09/47/45/545094745.db2.gz XISNOMOIBFRFFC-NEPJUHHUSA-N 2 2 279.388 0.648 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000454268258 533859756 /nfs/dbraw/zinc/85/97/56/533859756.db2.gz PZJZPRCSGFAWAR-MELADBBJSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000454268258 533859767 /nfs/dbraw/zinc/85/97/67/533859767.db2.gz PZJZPRCSGFAWAR-MELADBBJSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)[C@@H]1CCCO1 ZINC000453273773 533881118 /nfs/dbraw/zinc/88/11/18/533881118.db2.gz VZDSBHDBFDACAR-IHRRRGAJSA-N 2 2 256.390 0.990 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)[C@@H]1CCCO1 ZINC000453273773 533881124 /nfs/dbraw/zinc/88/11/24/533881124.db2.gz VZDSBHDBFDACAR-IHRRRGAJSA-N 2 2 256.390 0.990 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC[NH2+]1 ZINC000423626885 533934580 /nfs/dbraw/zinc/93/45/80/533934580.db2.gz SZBFVRLQLNWNQK-YUELXQCFSA-N 2 2 295.427 0.744 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC[NH2+]1 ZINC000423626885 533934583 /nfs/dbraw/zinc/93/45/83/533934583.db2.gz SZBFVRLQLNWNQK-YUELXQCFSA-N 2 2 295.427 0.744 20 0 CCADLP Cc1cc(NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C)on1 ZINC000430573686 533942057 /nfs/dbraw/zinc/94/20/57/533942057.db2.gz HJOKQZFMRSDHDN-GFCCVEGCSA-N 2 2 254.334 0.885 20 0 CCADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420352240 534298094 /nfs/dbraw/zinc/29/80/94/534298094.db2.gz LUSVMRIYCUQNNE-BXKDBHETSA-N 2 2 285.775 0.918 20 0 CCADLP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420352240 534298095 /nfs/dbraw/zinc/29/80/95/534298095.db2.gz LUSVMRIYCUQNNE-BXKDBHETSA-N 2 2 285.775 0.918 20 0 CCADLP [NH3+]C1(C(=O)NCCCn2cc[nH+]c2)Cc2ccccc2C1 ZINC000378209266 518197278 /nfs/dbraw/zinc/19/72/78/518197278.db2.gz KGIMYSFGXFURGX-UHFFFAOYSA-N 2 2 284.363 0.886 20 0 CCADLP CC[NH+](CC)CC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000363674571 520573157 /nfs/dbraw/zinc/57/31/57/520573157.db2.gz RVIDBEZOKNLQES-UHFFFAOYSA-N 2 2 250.346 0.876 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000364994094 521276213 /nfs/dbraw/zinc/27/62/13/521276213.db2.gz KMCCXLSYCYREIA-OCCSQVGLSA-N 2 2 269.389 0.437 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000163991126 521653087 /nfs/dbraw/zinc/65/30/87/521653087.db2.gz ODXBKIXHHCHXFC-MNOVXSKESA-N 2 2 259.375 0.684 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CN2CCCC2=O)C1 ZINC000358013087 521729458 /nfs/dbraw/zinc/72/94/58/521729458.db2.gz IPZXWTFKPXUQKP-YNEHKIRRSA-N 2 2 253.390 0.927 20 0 CCADLP C[N@H+](CCOCC[NH3+])Cc1nccn1CC(F)(F)F ZINC000357079372 522893812 /nfs/dbraw/zinc/89/38/12/522893812.db2.gz SECLTYAMLAKMTB-UHFFFAOYSA-N 2 2 280.294 0.853 20 0 CCADLP C[N@@H+](CCOCC[NH3+])Cc1nccn1CC(F)(F)F ZINC000357079372 522893822 /nfs/dbraw/zinc/89/38/22/522893822.db2.gz SECLTYAMLAKMTB-UHFFFAOYSA-N 2 2 280.294 0.853 20 0 CCADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCOCC(F)F)CC2)C1 ZINC000373746358 523814198 /nfs/dbraw/zinc/81/41/98/523814198.db2.gz NXVLOATUWCLOHP-CYBMUJFWSA-N 2 2 291.386 0.980 20 0 CCADLP C[N@H+]1CCC[C@@H](N2CC[NH+](CCOCC(F)F)CC2)C1 ZINC000373746358 523814205 /nfs/dbraw/zinc/81/42/05/523814205.db2.gz NXVLOATUWCLOHP-CYBMUJFWSA-N 2 2 291.386 0.980 20 0 CCADLP C[NH+](C)C1(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CCCC1 ZINC000262984895 524036050 /nfs/dbraw/zinc/03/60/50/524036050.db2.gz NCRNENORHVBGKW-JTQLQIEISA-N 2 2 275.343 0.974 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCCC[NH+](C)C)n1C ZINC000070144024 524053050 /nfs/dbraw/zinc/05/30/50/524053050.db2.gz JEHLRYBGNQMGKZ-UHFFFAOYSA-N 3 2 253.394 0.918 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCCn1cc[nH+]c1 ZINC000049153896 524788760 /nfs/dbraw/zinc/78/87/60/524788760.db2.gz MLCOHJKBZFAPCC-LLVKDONJSA-N 2 2 262.317 0.468 20 0 CCADLP O=C1OCC[C@H]2C[N@H+](CCC[NH+]3CCCC3)CCN12 ZINC000495672783 534813586 /nfs/dbraw/zinc/81/35/86/534813586.db2.gz PWVLLKBYMQDSCJ-ZDUSSCGKSA-N 2 2 267.373 0.999 20 0 CCADLP O=C1OCC[C@H]2C[N@@H+](CCC[NH+]3CCCC3)CCN12 ZINC000495672783 534813594 /nfs/dbraw/zinc/81/35/94/534813594.db2.gz PWVLLKBYMQDSCJ-ZDUSSCGKSA-N 2 2 267.373 0.999 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000340411193 524918061 /nfs/dbraw/zinc/91/80/61/524918061.db2.gz DNKGQXRGJAWHGT-ZZVYKPCYSA-N 2 2 254.374 0.599 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000340411193 524918069 /nfs/dbraw/zinc/91/80/69/524918069.db2.gz DNKGQXRGJAWHGT-ZZVYKPCYSA-N 2 2 254.374 0.599 20 0 CCADLP C[C@]1(C[N@H+](CCC(F)(F)F)C[C@@H](O)CO)CC[NH2+]C1 ZINC000340706394 525240923 /nfs/dbraw/zinc/24/09/23/525240923.db2.gz HSCRBAMDIXWGNE-MNOVXSKESA-N 2 2 284.322 0.594 20 0 CCADLP C[C@]1(C[N@@H+](CCC(F)(F)F)C[C@@H](O)CO)CC[NH2+]C1 ZINC000340706394 525240935 /nfs/dbraw/zinc/24/09/35/525240935.db2.gz HSCRBAMDIXWGNE-MNOVXSKESA-N 2 2 284.322 0.594 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NCc2c[nH+]cn2C)CC[N@@H+]1C ZINC000357967120 525429739 /nfs/dbraw/zinc/42/97/39/525429739.db2.gz BPMSDYLFBLEHMZ-GHMZBOCLSA-N 2 2 265.361 0.702 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NCc2c[nH+]cn2C)CC[N@H+]1C ZINC000357967120 525429750 /nfs/dbraw/zinc/42/97/50/525429750.db2.gz BPMSDYLFBLEHMZ-GHMZBOCLSA-N 2 2 265.361 0.702 20 0 CCADLP C[C@@H]1OCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)[C@H]1C ZINC000155989515 525564634 /nfs/dbraw/zinc/56/46/34/525564634.db2.gz SNFOMJCHDUWGOY-STQMWFEESA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1OCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)[C@H]1C ZINC000155989515 525564641 /nfs/dbraw/zinc/56/46/41/525564641.db2.gz SNFOMJCHDUWGOY-STQMWFEESA-N 2 2 295.427 0.839 20 0 CCADLP C[N@H+]1C[C@H]2CN(c3nc[nH+]c4c3OCCN4)C[C@H]2C1 ZINC000665715216 545104953 /nfs/dbraw/zinc/10/49/53/545104953.db2.gz DBXDLDSUNACIKD-AOOOYVTPSA-N 2 2 261.329 0.279 20 0 CCADLP C[N@@H+]1C[C@H]2CN(c3nc[nH+]c4c3OCCN4)C[C@H]2C1 ZINC000665715216 545104954 /nfs/dbraw/zinc/10/49/54/545104954.db2.gz DBXDLDSUNACIKD-AOOOYVTPSA-N 2 2 261.329 0.279 20 0 CCADLP O=C(NCCn1cc[nH+]c1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363479265 526473579 /nfs/dbraw/zinc/47/35/79/526473579.db2.gz GUCLIOXMFXOXKN-QWHCGFSZSA-N 2 2 293.371 0.046 20 0 CCADLP O=C(NCCn1cc[nH+]c1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000363479265 526473583 /nfs/dbraw/zinc/47/35/83/526473583.db2.gz GUCLIOXMFXOXKN-QWHCGFSZSA-N 2 2 293.371 0.046 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000667182743 545140523 /nfs/dbraw/zinc/14/05/23/545140523.db2.gz HYTLSPXHVVKSJX-RAIGVLPGSA-N 2 2 274.368 0.877 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000667182743 545140524 /nfs/dbraw/zinc/14/05/24/545140524.db2.gz HYTLSPXHVVKSJX-RAIGVLPGSA-N 2 2 274.368 0.877 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ncc[nH]3)CC2)CC1 ZINC000667641277 545152404 /nfs/dbraw/zinc/15/24/04/545152404.db2.gz NDVVXECWARGHDY-UHFFFAOYSA-N 2 2 291.399 0.698 20 0 CCADLP Cc1nc(N2CC[NH+](C[C@@H](O)COC(C)C)CC2)cc[nH+]1 ZINC000183764063 527346270 /nfs/dbraw/zinc/34/62/70/527346270.db2.gz XEDKFISJMJFLDW-CQSZACIVSA-N 2 2 294.399 0.693 20 0 CCADLP Cc1[nH+]cc(CN2CC[NH+](C(C)(C)C(N)=O)CC2)n1C ZINC000667673798 545153423 /nfs/dbraw/zinc/15/34/23/545153423.db2.gz NLUKTMLKGMFUKP-UHFFFAOYSA-N 2 2 279.388 0.110 20 0 CCADLP O=C1NC[C@H]2C[N@H+](Cc3ccnn3-c3cc[nH+]cc3)CCN12 ZINC000667693620 545154019 /nfs/dbraw/zinc/15/40/19/545154019.db2.gz QNFJTHPIABUIAX-AWEZNQCLSA-N 2 2 298.350 0.477 20 0 CCADLP O=C1NC[C@H]2C[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)CCN12 ZINC000667693620 545154020 /nfs/dbraw/zinc/15/40/20/545154020.db2.gz QNFJTHPIABUIAX-AWEZNQCLSA-N 2 2 298.350 0.477 20 0 CCADLP Cc1[nH+]cc(C[N@@H+](CCO)[C@H]2CCO[C@H]2C)n1C ZINC000668225401 545168189 /nfs/dbraw/zinc/16/81/89/545168189.db2.gz LULMPFACPOYKAV-GWCFXTLKSA-N 2 2 253.346 0.700 20 0 CCADLP Cc1[nH+]cc(C[N@H+](CCO)[C@H]2CCO[C@H]2C)n1C ZINC000668225401 545168190 /nfs/dbraw/zinc/16/81/90/545168190.db2.gz LULMPFACPOYKAV-GWCFXTLKSA-N 2 2 253.346 0.700 20 0 CCADLP CN(C)C(=O)[C@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668238087 545169016 /nfs/dbraw/zinc/16/90/16/545169016.db2.gz GVIIJDVCJGEJMP-NSHDSACASA-N 2 2 262.357 0.739 20 0 CCADLP CN(C)C(=O)[C@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668238087 545169017 /nfs/dbraw/zinc/16/90/17/545169017.db2.gz GVIIJDVCJGEJMP-NSHDSACASA-N 2 2 262.357 0.739 20 0 CCADLP COCC(COC)[NH+]1CCN(Cc2c[nH+]c(C)n2C)CC1 ZINC000668237181 545169246 /nfs/dbraw/zinc/16/92/46/545169246.db2.gz HGKPXUNOEMWBIF-UHFFFAOYSA-N 2 2 296.415 0.508 20 0 CCADLP C[NH+](C)C1(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000668379007 545175942 /nfs/dbraw/zinc/17/59/42/545175942.db2.gz YWGANCFVABNGOC-STQMWFEESA-N 2 2 281.400 0.138 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000668437015 545177401 /nfs/dbraw/zinc/17/74/01/545177401.db2.gz VDKAZGCZVCQMPA-YNEHKIRRSA-N 2 2 292.383 0.361 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000668437015 545177402 /nfs/dbraw/zinc/17/74/02/545177402.db2.gz VDKAZGCZVCQMPA-YNEHKIRRSA-N 2 2 292.383 0.361 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)n1C ZINC000668597840 545183461 /nfs/dbraw/zinc/18/34/61/545183461.db2.gz VPPIQGBPNQERHI-FZMZJTMJSA-N 2 2 264.373 0.954 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H](C)C1=CC[NH+](C)CC1 ZINC000358377977 527719814 /nfs/dbraw/zinc/71/98/14/527719814.db2.gz BLQNIUOFTBKUAG-TZMCWYRMSA-N 2 2 281.400 0.474 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N[C@H](C)C1=CC[NH+](C)CC1 ZINC000358377977 527719819 /nfs/dbraw/zinc/71/98/19/527719819.db2.gz BLQNIUOFTBKUAG-TZMCWYRMSA-N 2 2 281.400 0.474 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000358377977 527719826 /nfs/dbraw/zinc/71/98/26/527719826.db2.gz BLQNIUOFTBKUAG-TZMCWYRMSA-N 2 2 281.400 0.474 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000358377977 527719835 /nfs/dbraw/zinc/71/98/35/527719835.db2.gz BLQNIUOFTBKUAG-TZMCWYRMSA-N 2 2 281.400 0.474 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2C[C@H]3COC[C@]3(C)C2)n1C ZINC000668597840 545183462 /nfs/dbraw/zinc/18/34/62/545183462.db2.gz VPPIQGBPNQERHI-FZMZJTMJSA-N 2 2 264.373 0.954 20 0 CCADLP CC1(C)OCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000453255874 527811524 /nfs/dbraw/zinc/81/15/24/527811524.db2.gz FSJVGWYBDVROAK-CHWSQXEVSA-N 2 2 256.390 0.990 20 0 CCADLP CC1(C)OCC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000453255874 527811527 /nfs/dbraw/zinc/81/15/27/527811527.db2.gz FSJVGWYBDVROAK-CHWSQXEVSA-N 2 2 256.390 0.990 20 0 CCADLP C[C@@H]1C[N@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@]1(C)CO ZINC000668737121 545189650 /nfs/dbraw/zinc/18/96/50/545189650.db2.gz LSBUUGNRIKNULW-BXUZGUMPSA-N 2 2 266.389 0.936 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@]1(C)CO ZINC000668737121 545189651 /nfs/dbraw/zinc/18/96/51/545189651.db2.gz LSBUUGNRIKNULW-BXUZGUMPSA-N 2 2 266.389 0.936 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493524497 527955758 /nfs/dbraw/zinc/95/57/58/527955758.db2.gz TWKCAEDSVUQPBJ-ONEGZZNKSA-N 2 2 292.383 0.992 20 0 CCADLP CC[N@H+]1C[C@H](NC[C@@H]2CCC[NH+]2CCCO)[C@@H](C)C1 ZINC000449384214 527990659 /nfs/dbraw/zinc/99/06/59/527990659.db2.gz AINOLIQFZWWTOU-KKUMJFAQSA-N 2 2 269.433 0.763 20 0 CCADLP CC[N@@H+]1C[C@H](NC[C@@H]2CCC[NH+]2CCCO)[C@@H](C)C1 ZINC000449384214 527990664 /nfs/dbraw/zinc/99/06/64/527990664.db2.gz AINOLIQFZWWTOU-KKUMJFAQSA-N 2 2 269.433 0.763 20 0 CCADLP CC[NH+]1C[C@H](NC[C@@H]2CCC[N@@H+]2CCCO)[C@@H](C)C1 ZINC000449384214 527990669 /nfs/dbraw/zinc/99/06/69/527990669.db2.gz AINOLIQFZWWTOU-KKUMJFAQSA-N 2 2 269.433 0.763 20 0 CCADLP CC[NH+]1C[C@H](NC[C@@H]2CCC[N@H+]2CCCO)[C@@H](C)C1 ZINC000449384214 527990672 /nfs/dbraw/zinc/99/06/72/527990672.db2.gz AINOLIQFZWWTOU-KKUMJFAQSA-N 2 2 269.433 0.763 20 0 CCADLP C[C@H]([NH3+])CNC(=O)NCCCNc1cccc[nH+]1 ZINC000669388050 545206251 /nfs/dbraw/zinc/20/62/51/545206251.db2.gz LJFJNLLBOKIPIM-JTQLQIEISA-N 2 2 251.334 0.530 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)NCC[NH2+]C2CC2)CCO1 ZINC000669439139 545207992 /nfs/dbraw/zinc/20/79/92/545207992.db2.gz CARSFOPSLZMZTB-UHFFFAOYSA-N 2 2 284.404 0.148 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)NCC[NH2+]C2CC2)CCO1 ZINC000669439139 545207993 /nfs/dbraw/zinc/20/79/93/545207993.db2.gz CARSFOPSLZMZTB-UHFFFAOYSA-N 2 2 284.404 0.148 20 0 CCADLP CC[C@@H]1CN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC[C@@H]1[NH3+] ZINC000669461703 545208941 /nfs/dbraw/zinc/20/89/41/545208941.db2.gz UHXOIMDNYDUZLN-MCIONIFRSA-N 2 2 298.431 0.476 20 0 CCADLP CC[C@@H]1CN(C(=O)NCC[N@H+]2CCOC[C@H]2C)CC[C@@H]1[NH3+] ZINC000669461703 545208942 /nfs/dbraw/zinc/20/89/42/545208942.db2.gz UHXOIMDNYDUZLN-MCIONIFRSA-N 2 2 298.431 0.476 20 0 CCADLP CCn1cc[nH+]c1CNS(=O)(=O)CC[NH+](CC)CC ZINC000451759227 528157684 /nfs/dbraw/zinc/15/76/84/528157684.db2.gz QYTLQSQCLQBKBE-UHFFFAOYSA-N 2 2 288.417 0.664 20 0 CCADLP C[N@@H+]1CCN(C(=O)c2ccc3c(c2)CCCN3)[C@H](C[NH3+])C1 ZINC000669512659 545211758 /nfs/dbraw/zinc/21/17/58/545211758.db2.gz ZQWZCLYKJLQPAZ-CQSZACIVSA-N 2 2 288.395 0.760 20 0 CCADLP C[N@H+]1CCN(C(=O)c2ccc3c(c2)CCCN3)[C@H](C[NH3+])C1 ZINC000669512659 545211759 /nfs/dbraw/zinc/21/17/59/545211759.db2.gz ZQWZCLYKJLQPAZ-CQSZACIVSA-N 2 2 288.395 0.760 20 0 CCADLP CC1CC[NH+](CCN(C)C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000305178127 528242152 /nfs/dbraw/zinc/24/21/52/528242152.db2.gz VSKNCMSTRJIYMX-INIZCTEOSA-N 2 2 299.459 0.343 20 0 CCADLP C[C@@H](NC(=O)N1CC[NH2+]C(C)(C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000669538376 545213586 /nfs/dbraw/zinc/21/35/86/545213586.db2.gz NZGUCVJQFQJKSE-VXGBXAGGSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H](NC(=O)N1CC[NH2+]C(C)(C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000669538376 545213587 /nfs/dbraw/zinc/21/35/87/545213587.db2.gz NZGUCVJQFQJKSE-VXGBXAGGSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H](NC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000669538178 545213663 /nfs/dbraw/zinc/21/36/63/545213663.db2.gz CDZJALCPKOKUCW-FDYHWXHSSA-N 2 2 284.404 0.097 20 0 CCADLP C[C@@H](NC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000669538178 545213664 /nfs/dbraw/zinc/21/36/64/545213664.db2.gz CDZJALCPKOKUCW-FDYHWXHSSA-N 2 2 284.404 0.097 20 0 CCADLP O=C(NC[C@@H]1CCC[NH2+]1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000669542881 545214052 /nfs/dbraw/zinc/21/40/52/545214052.db2.gz PJZFWWYORAYQFM-STQMWFEESA-N 2 2 289.383 0.712 20 0 CCADLP CC[NH2+]CCNC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000418322669 528309955 /nfs/dbraw/zinc/30/99/55/528309955.db2.gz FVFCQQIFEVBNGN-UHFFFAOYSA-N 2 2 292.387 0.226 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000418593419 528400165 /nfs/dbraw/zinc/40/01/65/528400165.db2.gz RQXDGWFOYBIGFV-CHWSQXEVSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@H](C(=O)Nc1ccn2cc[nH+]c2c1)N1CC[NH+](C)CC1 ZINC000670379168 545232424 /nfs/dbraw/zinc/23/24/24/545232424.db2.gz GNZKDEYJZKWAOA-GFCCVEGCSA-N 2 2 287.367 0.909 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000423599582 528481864 /nfs/dbraw/zinc/48/18/64/528481864.db2.gz XIZZSELZZBMSJI-ZNMIVQPWSA-N 2 2 295.427 0.840 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000423599582 528481869 /nfs/dbraw/zinc/48/18/69/528481869.db2.gz XIZZSELZZBMSJI-ZNMIVQPWSA-N 2 2 295.427 0.840 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000423777233 528551695 /nfs/dbraw/zinc/55/16/95/528551695.db2.gz FTGBJBUCVYKMCV-GFCCVEGCSA-N 2 2 291.399 0.822 20 0 CCADLP CC[C@H](C(N)=O)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986177 545241212 /nfs/dbraw/zinc/24/12/12/545241212.db2.gz QILHIQMEDBAHEL-QWHCGFSZSA-N 2 2 269.389 0.437 20 0 CCADLP CC[C@H](C(N)=O)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986177 545241213 /nfs/dbraw/zinc/24/12/13/545241213.db2.gz QILHIQMEDBAHEL-QWHCGFSZSA-N 2 2 269.389 0.437 20 0 CCADLP CC(C)n1cncc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000424142197 528625741 /nfs/dbraw/zinc/62/57/41/528625741.db2.gz ICDMSDJIGSXTCP-AWEZNQCLSA-N 2 2 293.415 0.893 20 0 CCADLP CC(C)n1cncc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000424142197 528625743 /nfs/dbraw/zinc/62/57/43/528625743.db2.gz ICDMSDJIGSXTCP-AWEZNQCLSA-N 2 2 293.415 0.893 20 0 CCADLP CC(C)[C@H](C(=O)N(C)CC[NH+]1CCOCC1)[C@H](C)[NH3+] ZINC000423753769 528909557 /nfs/dbraw/zinc/90/95/57/528909557.db2.gz XYAUNKMFOAKSQI-STQMWFEESA-N 2 2 271.405 0.396 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000672516869 545269550 /nfs/dbraw/zinc/26/95/50/545269550.db2.gz IEPVCUDDSQGXSP-QWRGUYRKSA-N 2 2 250.346 0.512 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000672825480 545273877 /nfs/dbraw/zinc/27/38/77/545273877.db2.gz SNZTZGYCRMBFPQ-UHFFFAOYSA-N 2 2 295.387 0.018 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000672825480 545273878 /nfs/dbraw/zinc/27/38/78/545273878.db2.gz SNZTZGYCRMBFPQ-UHFFFAOYSA-N 2 2 295.387 0.018 20 0 CCADLP C[C@H](CF)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000672874910 545274795 /nfs/dbraw/zinc/27/47/95/545274795.db2.gz ATAVXFVSSVCEQQ-NEPJUHHUSA-N 2 2 286.395 0.812 20 0 CCADLP C[C@H](CF)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000672874910 545274796 /nfs/dbraw/zinc/27/47/96/545274796.db2.gz ATAVXFVSSVCEQQ-NEPJUHHUSA-N 2 2 286.395 0.812 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CC(C)(C)CO)CC1 ZINC000451240883 529130559 /nfs/dbraw/zinc/13/05/59/529130559.db2.gz FHJJBWAXMINCJH-CYBMUJFWSA-N 2 2 285.432 0.489 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CC(C)(C)CO)CC1 ZINC000451240883 529130561 /nfs/dbraw/zinc/13/05/61/529130561.db2.gz FHJJBWAXMINCJH-CYBMUJFWSA-N 2 2 285.432 0.489 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@H](O)C[C@H](C)C2)CC1 ZINC000412050570 529132638 /nfs/dbraw/zinc/13/26/38/529132638.db2.gz YTWKPLLHSIHFFB-MELADBBJSA-N 2 2 283.416 0.242 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H](O)C[C@H](C)C2)CC1 ZINC000412050570 529132639 /nfs/dbraw/zinc/13/26/39/529132639.db2.gz YTWKPLLHSIHFFB-MELADBBJSA-N 2 2 283.416 0.242 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000673658914 545290102 /nfs/dbraw/zinc/29/01/02/545290102.db2.gz FRYUQSZXLDUPCT-LBPRGKRZSA-N 2 2 259.313 0.943 20 0 CCADLP CC[C@H]1CN(C(=O)C[NH2+]CC2CC2)C[C@H]1[NH+]1CCOCC1 ZINC000423875314 529269335 /nfs/dbraw/zinc/26/93/35/529269335.db2.gz MPWAADFFJSIEIP-LSDHHAIUSA-N 2 2 295.427 0.555 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)NCC[C@@H]2CC[NH2+]C2)CCO1 ZINC000418336357 529293256 /nfs/dbraw/zinc/29/32/56/529293256.db2.gz IJACAOPSYVYODK-KBPBESRZSA-N 2 2 298.431 0.396 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)NCC[C@@H]2CC[NH2+]C2)CCO1 ZINC000418336357 529293259 /nfs/dbraw/zinc/29/32/59/529293259.db2.gz IJACAOPSYVYODK-KBPBESRZSA-N 2 2 298.431 0.396 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@H](C)[NH+](C)C)[NH+]1CCOCC1 ZINC000674244590 545301044 /nfs/dbraw/zinc/30/10/44/545301044.db2.gz IRSRDOAUXRMWBW-QWHCGFSZSA-N 2 2 271.405 0.410 20 0 CCADLP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000312346123 535204291 /nfs/dbraw/zinc/20/42/91/535204291.db2.gz LVWNWFSTMSHPTI-HUUCEWRRSA-N 2 2 279.432 0.743 20 0 CCADLP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000312346123 535204295 /nfs/dbraw/zinc/20/42/95/535204295.db2.gz LVWNWFSTMSHPTI-HUUCEWRRSA-N 2 2 279.432 0.743 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(CC(N)=O)cc1 ZINC000674912515 545318341 /nfs/dbraw/zinc/31/83/41/545318341.db2.gz FXSQDNBLPVAZBH-BXUZGUMPSA-N 2 2 261.369 0.754 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(CC(N)=O)cc1 ZINC000674912515 545318342 /nfs/dbraw/zinc/31/83/42/545318342.db2.gz FXSQDNBLPVAZBH-BXUZGUMPSA-N 2 2 261.369 0.754 20 0 CCADLP CCCCNC(=O)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000363220398 535282730 /nfs/dbraw/zinc/28/27/30/535282730.db2.gz ZROFNWVUKFILKY-HNNXBMFYSA-N 2 2 296.459 0.615 20 0 CCADLP CCCCNC(=O)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000363220398 535282735 /nfs/dbraw/zinc/28/27/35/535282735.db2.gz ZROFNWVUKFILKY-HNNXBMFYSA-N 2 2 296.459 0.615 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCN(C)S(C)(=O)=O ZINC000675746507 545331065 /nfs/dbraw/zinc/33/10/65/545331065.db2.gz JNNAQYLAAGXCEB-DGCLKSJQSA-N 2 2 289.445 0.340 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCN(C)S(C)(=O)=O ZINC000675746507 545331066 /nfs/dbraw/zinc/33/10/66/545331066.db2.gz JNNAQYLAAGXCEB-DGCLKSJQSA-N 2 2 289.445 0.340 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000675782831 545331222 /nfs/dbraw/zinc/33/12/22/545331222.db2.gz ZFAJMVAEPCWQQK-KBPBESRZSA-N 3 2 282.432 0.080 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000675782831 545331223 /nfs/dbraw/zinc/33/12/23/545331223.db2.gz ZFAJMVAEPCWQQK-KBPBESRZSA-N 3 2 282.432 0.080 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+]CC(=O)N2CCN(C)CC2)[C@@H](C)C1 ZINC000675782831 545331224 /nfs/dbraw/zinc/33/12/24/545331224.db2.gz ZFAJMVAEPCWQQK-KBPBESRZSA-N 2 2 282.432 0.080 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+]CC(=O)N2CCN(C)CC2)[C@@H](C)C1 ZINC000675782831 545331225 /nfs/dbraw/zinc/33/12/25/545331225.db2.gz ZFAJMVAEPCWQQK-KBPBESRZSA-N 2 2 282.432 0.080 20 0 CCADLP C[C@H](Nc1cc[nH+]c(N(C)C)n1)[C@H]1C[N@H+](C)CCO1 ZINC000676314592 545341442 /nfs/dbraw/zinc/34/14/42/545341442.db2.gz GGOPXZNZDIWDFD-WDEREUQCSA-N 2 2 265.361 0.674 20 0 CCADLP C[C@H](Nc1cc[nH+]c(N(C)C)n1)[C@H]1C[N@@H+](C)CCO1 ZINC000676314592 545341443 /nfs/dbraw/zinc/34/14/43/545341443.db2.gz GGOPXZNZDIWDFD-WDEREUQCSA-N 2 2 265.361 0.674 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@H]([NH3+])CC(F)F)CC1 ZINC000345803138 535602621 /nfs/dbraw/zinc/60/26/21/535602621.db2.gz NBJAEDMSOMTSHV-SNVBAGLBSA-N 2 2 279.331 0.150 20 0 CCADLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000676842699 545353329 /nfs/dbraw/zinc/35/33/29/545353329.db2.gz FIEAEDLLCMDVLX-RYUDHWBXSA-N 2 2 274.368 0.798 20 0 CCADLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000676842699 545353330 /nfs/dbraw/zinc/35/33/30/545353330.db2.gz FIEAEDLLCMDVLX-RYUDHWBXSA-N 2 2 274.368 0.798 20 0 CCADLP C[C@@H](C(=O)N[C@H]1CCC[N@H+](C)C1)[NH+]1CCSCC1 ZINC000676842201 545353677 /nfs/dbraw/zinc/35/36/77/545353677.db2.gz YVAZDLGIRWDNAE-RYUDHWBXSA-N 2 2 271.430 0.634 20 0 CCADLP C[C@@H](C(=O)N[C@H]1CCC[N@@H+](C)C1)[NH+]1CCSCC1 ZINC000676842201 545353678 /nfs/dbraw/zinc/35/36/78/545353678.db2.gz YVAZDLGIRWDNAE-RYUDHWBXSA-N 2 2 271.430 0.634 20 0 CCADLP CN(C(=O)c1cnco1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000677548073 545367927 /nfs/dbraw/zinc/36/79/27/545367927.db2.gz XPHVUONFGIBEPO-ZDUSSCGKSA-N 2 2 292.383 0.915 20 0 CCADLP CN(C(=O)c1cnco1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000677548073 545367928 /nfs/dbraw/zinc/36/79/28/545367928.db2.gz XPHVUONFGIBEPO-ZDUSSCGKSA-N 2 2 292.383 0.915 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000677919750 545376802 /nfs/dbraw/zinc/37/68/02/545376802.db2.gz VAGAETYZFXWSEK-ZWNOBZJWSA-N 2 2 262.357 0.868 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000677919750 545376803 /nfs/dbraw/zinc/37/68/03/545376803.db2.gz VAGAETYZFXWSEK-ZWNOBZJWSA-N 2 2 262.357 0.868 20 0 CCADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(CO)o3)CC2)C1 ZINC000678258609 545387629 /nfs/dbraw/zinc/38/76/29/545387629.db2.gz GMQKBEZAHRNXBY-CQSZACIVSA-N 2 2 293.411 0.984 20 0 CCADLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(CO)o3)CC2)C1 ZINC000678258609 545387630 /nfs/dbraw/zinc/38/76/30/545387630.db2.gz GMQKBEZAHRNXBY-CQSZACIVSA-N 2 2 293.411 0.984 20 0 CCADLP NC(=O)c1csc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000678342967 545389235 /nfs/dbraw/zinc/38/92/35/545389235.db2.gz JFJXFGCMYNHLEL-NXEZZACHSA-N 2 2 251.355 0.498 20 0 CCADLP Cn1nnnc1CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000678549818 545394345 /nfs/dbraw/zinc/39/43/45/545394345.db2.gz XTUPTGNPUJOBCC-UHFFFAOYSA-N 2 2 287.371 0.406 20 0 CCADLP C[NH2+][C@H](C(=O)NCCn1cc[nH+]c1C)c1cnn(C)c1 ZINC000262324649 536382193 /nfs/dbraw/zinc/38/21/93/536382193.db2.gz FTGJUPDDPNLYIA-LBPRGKRZSA-N 2 2 276.344 0.002 20 0 CCADLP COCC(=O)NC1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000678881930 545399208 /nfs/dbraw/zinc/39/92/08/545399208.db2.gz ZWWRTXCZIZHZCG-UHFFFAOYSA-N 2 2 280.372 0.500 20 0 CCADLP C[N@H+]1C[C@H]2CN(C(=O)C3([NH+]4CCOCC4)CCC3)C[C@H]2C1 ZINC000347610639 536488967 /nfs/dbraw/zinc/48/89/67/536488967.db2.gz FZHURPGCSNTRDS-OKILXGFUSA-N 2 2 293.411 0.261 20 0 CCADLP C[N@@H+]1C[C@H]2CN(C(=O)C3([NH+]4CCOCC4)CCC3)C[C@H]2C1 ZINC000347610639 536488968 /nfs/dbraw/zinc/48/89/68/536488968.db2.gz FZHURPGCSNTRDS-OKILXGFUSA-N 2 2 293.411 0.261 20 0 CCADLP COCCCNC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000372168141 536566067 /nfs/dbraw/zinc/56/60/67/536566067.db2.gz AAYSYAMQFRPOSV-UHFFFAOYSA-N 2 2 280.372 0.742 20 0 CCADLP CN(C)C(=O)C[NH+]1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000679652876 545413909 /nfs/dbraw/zinc/41/39/09/545413909.db2.gz RAJVONNPMYRFTQ-HNNXBMFYSA-N 2 2 296.459 0.567 20 0 CCADLP CN(C)C(=O)C[NH+]1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000679652876 545413910 /nfs/dbraw/zinc/41/39/10/545413910.db2.gz RAJVONNPMYRFTQ-HNNXBMFYSA-N 2 2 296.459 0.567 20 0 CCADLP COCC[N@H+](C)CCC[NH2+]Cc1cn(C(C)C)nn1 ZINC000342081014 536796293 /nfs/dbraw/zinc/79/62/93/536796293.db2.gz IQUYZRQWKBSOPA-UHFFFAOYSA-N 2 2 269.393 0.917 20 0 CCADLP COCC[N@H+](CC(=O)N(C)C)C[C@]1(C)CC[NH2+]C1 ZINC000262004011 536811572 /nfs/dbraw/zinc/81/15/72/536811572.db2.gz LPINZRWMWPAJAF-CYBMUJFWSA-N 2 2 257.378 0.023 20 0 CCADLP COCC[N@@H+](CC(=O)N(C)C)C[C@]1(C)CC[NH2+]C1 ZINC000262004011 536811577 /nfs/dbraw/zinc/81/15/77/536811577.db2.gz LPINZRWMWPAJAF-CYBMUJFWSA-N 2 2 257.378 0.023 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@]3(C)CCOC3)C2)CC1 ZINC000680396916 545427700 /nfs/dbraw/zinc/42/77/00/545427700.db2.gz BNRLUMKCYLXIBH-XJKSGUPXSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@]3(C)CCOC3)C2)CC1 ZINC000680396916 545427701 /nfs/dbraw/zinc/42/77/01/545427701.db2.gz BNRLUMKCYLXIBH-XJKSGUPXSA-N 2 2 295.427 0.698 20 0 CCADLP CNC(=O)C1C[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000681023106 545440150 /nfs/dbraw/zinc/44/01/50/545440150.db2.gz HNZCXXMAJCZRPF-OAHLLOKOSA-N 2 2 291.395 0.157 20 0 CCADLP CNC(=O)C1C[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000681023106 545440151 /nfs/dbraw/zinc/44/01/51/545440151.db2.gz HNZCXXMAJCZRPF-OAHLLOKOSA-N 2 2 291.395 0.157 20 0 CCADLP COC1CC[NH+](CC[NH2+][C@@H](C)Cn2cccn2)CC1 ZINC000681119577 545443268 /nfs/dbraw/zinc/44/32/68/545443268.db2.gz CRTCAPBOVUQZNY-ZDUSSCGKSA-N 2 2 266.389 0.972 20 0 CCADLP CCN1OC[C@H]([NH+]2CCC(C[NH+]3CCOCC3)CC2)C1=O ZINC000682678022 545487350 /nfs/dbraw/zinc/48/73/50/545487350.db2.gz YVDZQIWPCGWGDL-AWEZNQCLSA-N 2 2 297.399 0.193 20 0 CCADLP CC(C)[C@@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CS1 ZINC000683108774 545495602 /nfs/dbraw/zinc/49/56/02/545495602.db2.gz GQZKZSPYTRMBMO-OLZOCXBDSA-N 2 2 285.457 0.880 20 0 CCADLP C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@H]2C1 ZINC000683880340 545575557 /nfs/dbraw/zinc/57/55/57/545575557.db2.gz XPBFTHLLUNRHEM-RWMBFGLXSA-N 2 2 274.368 0.466 20 0 CCADLP C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@H]2C1 ZINC000683880340 545575560 /nfs/dbraw/zinc/57/55/60/545575560.db2.gz XPBFTHLLUNRHEM-RWMBFGLXSA-N 2 2 274.368 0.466 20 0 CCADLP C[C@H](F)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962291216 649897711 /nfs/dbraw/zinc/89/77/11/649897711.db2.gz DRQMKGZCSXWEEN-MUYACECFSA-N 2 2 294.374 0.757 20 0 CCADLP C[C@H](F)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962291216 649897715 /nfs/dbraw/zinc/89/77/15/649897715.db2.gz DRQMKGZCSXWEEN-MUYACECFSA-N 2 2 294.374 0.757 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC1CC(C[NH2+]C[C@H]2CCOC2)C1 ZINC000962466301 649902009 /nfs/dbraw/zinc/90/20/09/649902009.db2.gz PSBAFTOCVDNKBM-PNESKVBLSA-N 2 2 292.383 0.473 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CCC[NH+](C)C2)CCO1 ZINC000726252522 581233494 /nfs/dbraw/zinc/23/34/94/581233494.db2.gz IKYDQRFPZUIYTG-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCC[NH+](C)C2)CCO1 ZINC000726252522 581233498 /nfs/dbraw/zinc/23/34/98/581233498.db2.gz IKYDQRFPZUIYTG-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CCC[N@H+](C)C2)CCO1 ZINC000726252522 581233500 /nfs/dbraw/zinc/23/35/00/581233500.db2.gz IKYDQRFPZUIYTG-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CCC[N@@H+](C)C2)CCO1 ZINC000726252522 581233503 /nfs/dbraw/zinc/23/35/03/581233503.db2.gz IKYDQRFPZUIYTG-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)N[C@H]2CCC[NH+](C)C2)CCO1 ZINC000726252527 581233983 /nfs/dbraw/zinc/23/39/83/581233983.db2.gz IKYDQRFPZUIYTG-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)N[C@H]2CCC[NH+](C)C2)CCO1 ZINC000726252527 581233986 /nfs/dbraw/zinc/23/39/86/581233986.db2.gz IKYDQRFPZUIYTG-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)N[C@H]2CCC[N@H+](C)C2)CCO1 ZINC000726252527 581233989 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CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000726256034 581234701 /nfs/dbraw/zinc/23/47/01/581234701.db2.gz MVZANRHUESHURV-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH+]1CCC(NC(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000726256034 581234703 /nfs/dbraw/zinc/23/47/03/581234703.db2.gz MVZANRHUESHURV-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP COCCO[C@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000781964423 581282795 /nfs/dbraw/zinc/28/27/95/581282795.db2.gz UCVQBCKATVVJCV-KGLIPLIRSA-N 2 2 272.389 0.180 20 0 CCADLP COCCO[C@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000781964423 581282796 /nfs/dbraw/zinc/28/27/96/581282796.db2.gz UCVQBCKATVVJCV-KGLIPLIRSA-N 2 2 272.389 0.180 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CC2OCCCO2)CC1 ZINC000793615632 581305106 /nfs/dbraw/zinc/30/51/06/581305106.db2.gz PZEYKDZKEBENIS-UHFFFAOYSA-N 2 2 299.415 0.282 20 0 CCADLP C[C@H]1CC[C@H](C)C1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000794604366 581379249 /nfs/dbraw/zinc/37/92/49/581379249.db2.gz 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/nfs/dbraw/zinc/78/16/87/581781687.db2.gz FSZKGCWHFVMSFT-UHFFFAOYSA-N 2 2 275.356 0.852 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000746260158 581905567 /nfs/dbraw/zinc/90/55/67/581905567.db2.gz WUZVGZQAMLJMOB-CQSZACIVSA-N 2 2 292.383 0.643 20 0 CCADLP NC(=O)c1c[nH+]ccc1N1CC[NH+](CCCCO)CC1 ZINC000762801888 581962985 /nfs/dbraw/zinc/96/29/85/581962985.db2.gz SDUOHOPXRPHJFV-UHFFFAOYSA-N 2 2 278.356 0.075 20 0 CCADLP CON(C)C(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000774543576 581979931 /nfs/dbraw/zinc/97/99/31/581979931.db2.gz XUOXUUAREJQXJM-UHFFFAOYSA-N 2 2 252.318 0.609 20 0 CCADLP C[C@H]1C[C@H]([NH+](C)CCN2CCOC2=O)CC[N@@H+]1C ZINC000749115017 581997363 /nfs/dbraw/zinc/99/73/63/581997363.db2.gz GVXKOFXMHJWAQB-NWDGAFQWSA-N 2 2 255.362 0.853 20 0 CCADLP C[C@H]1C[C@H]([NH+](C)CCN2CCOC2=O)CC[N@H+]1C ZINC000749115017 581997366 /nfs/dbraw/zinc/99/73/66/581997366.db2.gz GVXKOFXMHJWAQB-NWDGAFQWSA-N 2 2 255.362 0.853 20 0 CCADLP C[C@H]1C[C@H]([N@H+](C)CCN2CCOC2=O)CC[NH+]1C ZINC000749115017 581997368 /nfs/dbraw/zinc/99/73/68/581997368.db2.gz GVXKOFXMHJWAQB-NWDGAFQWSA-N 2 2 255.362 0.853 20 0 CCADLP C[C@H]1C[C@H]([N@@H+](C)CCN2CCOC2=O)CC[NH+]1C ZINC000749115017 581997370 /nfs/dbraw/zinc/99/73/70/581997370.db2.gz GVXKOFXMHJWAQB-NWDGAFQWSA-N 2 2 255.362 0.853 20 0 CCADLP NS(=O)(=O)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000749515021 582010651 /nfs/dbraw/zinc/01/06/51/582010651.db2.gz JKLPORSEJGZILC-YPMHNXCESA-N 2 2 287.429 0.224 20 0 CCADLP NS(=O)(=O)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000749515021 582010654 /nfs/dbraw/zinc/01/06/54/582010654.db2.gz JKLPORSEJGZILC-YPMHNXCESA-N 2 2 287.429 0.224 20 0 CCADLP NS(=O)(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000749515021 582010656 /nfs/dbraw/zinc/01/06/56/582010656.db2.gz JKLPORSEJGZILC-YPMHNXCESA-N 2 2 287.429 0.224 20 0 CCADLP NS(=O)(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000749515021 582010658 /nfs/dbraw/zinc/01/06/58/582010658.db2.gz JKLPORSEJGZILC-YPMHNXCESA-N 2 2 287.429 0.224 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CN2CC(=O)N(C)C2=O)C1 ZINC000776202025 582058906 /nfs/dbraw/zinc/05/89/06/582058906.db2.gz NGKLPIRBHIUZDU-SNVBAGLBSA-N 2 2 277.328 0.061 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CN2CC(=O)N(C)C2=O)C1 ZINC000776202025 582058909 /nfs/dbraw/zinc/05/89/09/582058909.db2.gz NGKLPIRBHIUZDU-SNVBAGLBSA-N 2 2 277.328 0.061 20 0 CCADLP O=C(NCC[NH+]1CCC1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000752295541 582103334 /nfs/dbraw/zinc/10/33/34/582103334.db2.gz LRPFYFSPMWLCDY-UHFFFAOYSA-N 2 2 271.324 0.703 20 0 CCADLP CCON(CC)C(=O)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000877651564 615350030 /nfs/dbraw/zinc/35/00/30/615350030.db2.gz YITWQDKMRZOXML-RYUDHWBXSA-N 2 2 257.378 0.859 20 0 CCADLP CCON(CC)C(=O)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000877651564 615350031 /nfs/dbraw/zinc/35/00/31/615350031.db2.gz YITWQDKMRZOXML-RYUDHWBXSA-N 2 2 257.378 0.859 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858153987 615936123 /nfs/dbraw/zinc/93/61/23/615936123.db2.gz WOLLZRPTIJZWRS-JSGCOSHPSA-N 3 2 257.422 0.761 20 0 CCADLP CS(=O)(=O)NCCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924601870 617173778 /nfs/dbraw/zinc/17/37/78/617173778.db2.gz YPRNUFSHUZPNAG-STQMWFEESA-N 2 2 289.445 0.532 20 0 CCADLP CS(=O)(=O)NCCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924601870 617173779 /nfs/dbraw/zinc/17/37/79/617173779.db2.gz YPRNUFSHUZPNAG-STQMWFEESA-N 2 2 289.445 0.532 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@H+](CC3CCC3)C[C@H]21 ZINC000963022736 649908006 /nfs/dbraw/zinc/90/80/06/649908006.db2.gz RRRUHNFJARCNAI-NHAGDIPZSA-N 2 2 274.368 0.730 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@@H+](CC3CCC3)C[C@H]21 ZINC000963022736 649908008 /nfs/dbraw/zinc/90/80/08/649908008.db2.gz RRRUHNFJARCNAI-NHAGDIPZSA-N 2 2 274.368 0.730 20 0 CCADLP c1cn2c([nH+]1)CC[C@@H]([NH2+]Cc1ccc(-c3nn[nH]n3)o1)C2 ZINC000823809991 599424822 /nfs/dbraw/zinc/42/48/22/599424822.db2.gz UVWHXQKOBWXSOH-SECBINFHSA-N 2 2 285.311 0.761 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NCc2ccccn2)C1 ZINC000844219179 617178651 /nfs/dbraw/zinc/17/86/51/617178651.db2.gz HAVORKDOJDBSLU-OLZOCXBDSA-N 2 2 276.384 0.757 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NCc2ccccn2)C1 ZINC000844219179 617178653 /nfs/dbraw/zinc/17/86/53/617178653.db2.gz HAVORKDOJDBSLU-OLZOCXBDSA-N 2 2 276.384 0.757 20 0 CCADLP C#CCNC(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151332919 612950275 /nfs/dbraw/zinc/95/02/75/612950275.db2.gz ZDVMCOXEWPNAHR-ZDUSSCGKSA-N 2 2 272.352 0.342 20 0 CCADLP Fc1ccc(-c2nn[nH]n2)c(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000822758596 607059092 /nfs/dbraw/zinc/05/90/92/607059092.db2.gz SUWJPYVZILHJNJ-QWRGUYRKSA-N 2 2 288.330 0.657 20 0 CCADLP CS/C=C/C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855414521 617200273 /nfs/dbraw/zinc/20/02/73/617200273.db2.gz GAIWHLVZHUDOAM-IZZDOVSWSA-N 2 2 259.419 0.863 20 0 CCADLP CS/C=C/C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855414521 617200276 /nfs/dbraw/zinc/20/02/76/617200276.db2.gz GAIWHLVZHUDOAM-IZZDOVSWSA-N 2 2 259.419 0.863 20 0 CCADLP CC(C)C[C@@H]1C[N@H+](C)CCN1Cc1noc(C[NH3+])n1 ZINC000923555655 614202867 /nfs/dbraw/zinc/20/28/67/614202867.db2.gz CMHBDKKXHQIKEF-LLVKDONJSA-N 2 2 267.377 0.690 20 0 CCADLP CC(C)C[C@@H]1C[N@@H+](C)CCN1Cc1noc(C[NH3+])n1 ZINC000923555655 614202868 /nfs/dbraw/zinc/20/28/68/614202868.db2.gz CMHBDKKXHQIKEF-LLVKDONJSA-N 2 2 267.377 0.690 20 0 CCADLP CC(C)[C@H](CNC(=[NH2+])NC1CCC1)[NH+]1CCN(C)CC1 ZINC000848984124 614208447 /nfs/dbraw/zinc/20/84/47/614208447.db2.gz QRLGTBJKWDOXSQ-AWEZNQCLSA-N 2 2 281.448 0.925 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000852006952 614263892 /nfs/dbraw/zinc/26/38/92/614263892.db2.gz HAYDNDOMVGQPFE-AGIUHOORSA-N 2 2 285.388 0.118 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000852006952 614263893 /nfs/dbraw/zinc/26/38/93/614263893.db2.gz HAYDNDOMVGQPFE-AGIUHOORSA-N 2 2 285.388 0.118 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000852006952 614263894 /nfs/dbraw/zinc/26/38/94/614263894.db2.gz HAYDNDOMVGQPFE-AGIUHOORSA-N 2 2 285.388 0.118 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000852006952 614263897 /nfs/dbraw/zinc/26/38/97/614263897.db2.gz HAYDNDOMVGQPFE-AGIUHOORSA-N 2 2 285.388 0.118 20 0 CCADLP C([NH2+][C@H]1CC[NH2+]C12CCC2)[C@@H]1COC2(CCOCC2)O1 ZINC000925629847 613222790 /nfs/dbraw/zinc/22/27/90/613222790.db2.gz PVNDCDVOTQTTAE-OLZOCXBDSA-N 2 2 282.384 0.783 20 0 CCADLP C(C[NH2+][C@H]1C[NH2+]CCOC1)COC1CCOCC1 ZINC000925581145 613225344 /nfs/dbraw/zinc/22/53/44/613225344.db2.gz PSHCABCYOXQHPK-LBPRGKRZSA-N 2 2 258.362 0.150 20 0 CCADLP C(C[NH2+][C@@H]1C[NH2+]CCOC1)COC[C@H]1CCCO1 ZINC000925514554 613225452 /nfs/dbraw/zinc/22/54/52/613225452.db2.gz QWUXIVHZOZWBGM-CHWSQXEVSA-N 2 2 258.362 0.150 20 0 CCADLP C([C@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903872270 613227014 /nfs/dbraw/zinc/22/70/14/613227014.db2.gz YDATYZWOQVVVQG-OCCSQVGLSA-N 3 2 251.374 0.193 20 0 CCADLP C([C@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903872270 613227015 /nfs/dbraw/zinc/22/70/15/613227015.db2.gz YDATYZWOQVVVQG-OCCSQVGLSA-N 3 2 251.374 0.193 20 0 CCADLP C/C(=C/C(=O)N1CCC[C@H]1C[NH+](C)C)C[NH+]1CCOCC1 ZINC000900522781 613230390 /nfs/dbraw/zinc/23/03/90/613230390.db2.gz HSAWYZINGFVAIZ-SZGZABIGSA-N 2 2 295.427 0.818 20 0 CCADLP C(C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)O[C@H]1CCOC1 ZINC000930320226 613233733 /nfs/dbraw/zinc/23/37/33/613233733.db2.gz TVJKYWFPMXBDEB-HOTGVXAUSA-N 2 2 298.427 0.979 20 0 CCADLP C(C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)O[C@H]1CCOC1 ZINC000930320226 613233735 /nfs/dbraw/zinc/23/37/35/613233735.db2.gz TVJKYWFPMXBDEB-HOTGVXAUSA-N 2 2 298.427 0.979 20 0 CCADLP C/C(=C/C(=O)NCC[N@H+]1CC=CCC1)C[NH+]1CCOCC1 ZINC000907885065 613236313 /nfs/dbraw/zinc/23/63/13/613236313.db2.gz CMRGMBKAPUZQCS-SQFISAMPSA-N 2 2 293.411 0.643 20 0 CCADLP C/C(=C/C(=O)NCC[N@@H+]1CC=CCC1)C[NH+]1CCOCC1 ZINC000907885065 613236314 /nfs/dbraw/zinc/23/63/14/613236314.db2.gz CMRGMBKAPUZQCS-SQFISAMPSA-N 2 2 293.411 0.643 20 0 CCADLP C/C(=C\C(=O)N1CCC[N@@H+](C)CC1)C[NH+]1CCOCC1 ZINC000899935449 613249510 /nfs/dbraw/zinc/24/95/10/613249510.db2.gz MYKZUXNJQRTRDG-WYMLVPIESA-N 2 2 281.400 0.429 20 0 CCADLP C/C(=C\C(=O)N1CCC[N@H+](C)CC1)C[NH+]1CCOCC1 ZINC000899935449 613249511 /nfs/dbraw/zinc/24/95/11/613249511.db2.gz MYKZUXNJQRTRDG-WYMLVPIESA-N 2 2 281.400 0.429 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H]2CCC3(COC3)O2)CC1 ZINC000930613009 613939743 /nfs/dbraw/zinc/93/97/43/613939743.db2.gz CCNHGATUQPHXSU-CQSZACIVSA-N 2 2 298.427 0.759 20 0 CCADLP CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]CCn1cc[nH+]c1 ZINC000818958567 613989519 /nfs/dbraw/zinc/98/95/19/613989519.db2.gz QXQVDYOSZXDEBX-GFCCVEGCSA-N 2 2 298.387 0.748 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000925413008 614014191 /nfs/dbraw/zinc/01/41/91/614014191.db2.gz ZUGZSRLNWHDEDC-AWEZNQCLSA-N 2 2 298.431 0.443 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000925413008 614014195 /nfs/dbraw/zinc/01/41/95/614014195.db2.gz ZUGZSRLNWHDEDC-AWEZNQCLSA-N 2 2 298.431 0.443 20 0 CCADLP CC(C)OC[C@@H](O)C[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880140322 614028582 /nfs/dbraw/zinc/02/85/82/614028582.db2.gz HVRDDEDZEULJFL-IHRRRGAJSA-N 2 2 256.390 0.941 20 0 CCADLP CC(C)OC[C@@H](O)C[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880140322 614028586 /nfs/dbraw/zinc/02/85/86/614028586.db2.gz HVRDDEDZEULJFL-IHRRRGAJSA-N 2 2 256.390 0.941 20 0 CCADLP CC(C)OC[C@@H](O)C[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880140322 614028588 /nfs/dbraw/zinc/02/85/88/614028588.db2.gz HVRDDEDZEULJFL-IHRRRGAJSA-N 2 2 256.390 0.941 20 0 CCADLP CC(C)OC[C@@H](O)C[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880140322 614028590 /nfs/dbraw/zinc/02/85/90/614028590.db2.gz HVRDDEDZEULJFL-IHRRRGAJSA-N 2 2 256.390 0.941 20 0 CCADLP CC(C)CC[C@H](O)CN1C[C@@H](c2c[nH+]cn2C)[C@H]([NH3+])C1 ZINC000923421471 614061572 /nfs/dbraw/zinc/06/15/72/614061572.db2.gz UFLISXBQHHJCAD-BFHYXJOUSA-N 2 2 280.416 0.944 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000949043802 614091627 /nfs/dbraw/zinc/09/16/27/614091627.db2.gz WIODCVUQMKQREH-LSDHHAIUSA-N 2 2 297.443 0.632 20 0 CCADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000949043802 614091628 /nfs/dbraw/zinc/09/16/28/614091628.db2.gz WIODCVUQMKQREH-LSDHHAIUSA-N 2 2 297.443 0.632 20 0 CCADLP CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](C)[C@H](C)C[NH3+])cc1 ZINC000923292046 614202795 /nfs/dbraw/zinc/20/27/95/614202795.db2.gz WOLRNVJWGFLWJB-RISCZKNCSA-N 2 2 295.383 0.664 20 0 CCADLP CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](C)[C@H](C)C[NH3+])cc1 ZINC000923292046 614202797 /nfs/dbraw/zinc/20/27/97/614202797.db2.gz WOLRNVJWGFLWJB-RISCZKNCSA-N 2 2 295.383 0.664 20 0 CCADLP CC(=O)[C@@](C)(O)C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931314373 614238324 /nfs/dbraw/zinc/23/83/24/614238324.db2.gz NARPEJDRFFEOAS-MJBXVCDLSA-N 2 2 254.374 0.600 20 0 CCADLP CC(=O)[C@@](C)(O)C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931314373 614238328 /nfs/dbraw/zinc/23/83/28/614238328.db2.gz NARPEJDRFFEOAS-MJBXVCDLSA-N 2 2 254.374 0.600 20 0 CCADLP CC(=O)[C@@](C)(O)C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931314373 614238329 /nfs/dbraw/zinc/23/83/29/614238329.db2.gz NARPEJDRFFEOAS-MJBXVCDLSA-N 2 2 254.374 0.600 20 0 CCADLP CC(=O)[C@@](C)(O)C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931314373 614238333 /nfs/dbraw/zinc/23/83/33/614238333.db2.gz NARPEJDRFFEOAS-MJBXVCDLSA-N 2 2 254.374 0.600 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)CC[N@H+]1C ZINC000913761262 614270113 /nfs/dbraw/zinc/27/01/13/614270113.db2.gz FEWRGGIBMYZEOP-UMVBOHGHSA-N 2 2 283.416 0.240 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC[NH+]1C ZINC000913761262 614270115 /nfs/dbraw/zinc/27/01/15/614270115.db2.gz FEWRGGIBMYZEOP-UMVBOHGHSA-N 2 2 283.416 0.240 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC[NH+]1C ZINC000913761262 614270118 /nfs/dbraw/zinc/27/01/18/614270118.db2.gz FEWRGGIBMYZEOP-UMVBOHGHSA-N 2 2 283.416 0.240 20 0 CCADLP CC(C)[N@H+](CC(=O)NC1CC[NH+](C)CC1)C1COC1 ZINC000878657148 614285984 /nfs/dbraw/zinc/28/59/84/614285984.db2.gz AQLFPXZAKMJJIE-UHFFFAOYSA-N 2 2 269.389 0.306 20 0 CCADLP CC(C)[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C1COC1 ZINC000878657148 614285986 /nfs/dbraw/zinc/28/59/86/614285986.db2.gz AQLFPXZAKMJJIE-UHFFFAOYSA-N 2 2 269.389 0.306 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000827911007 614339959 /nfs/dbraw/zinc/33/99/59/614339959.db2.gz OXTORTLTWOPKLA-ZIAGYGMSSA-N 2 2 291.399 0.755 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000948751718 614357783 /nfs/dbraw/zinc/35/77/83/614357783.db2.gz TZWDUZHDOMFYFG-AWEZNQCLSA-N 2 2 293.415 0.366 20 0 CCADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898887410 614504983 /nfs/dbraw/zinc/50/49/83/614504983.db2.gz BRZJZTSBGFBKHH-GHMZBOCLSA-N 2 2 282.388 0.736 20 0 CCADLP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000884405681 614705221 /nfs/dbraw/zinc/70/52/21/614705221.db2.gz ZUXMBICQNMRUIX-QWHCGFSZSA-N 2 2 281.400 0.165 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876753271 614718730 /nfs/dbraw/zinc/71/87/30/614718730.db2.gz JMDSLWIISNIINA-VXGBXAGGSA-N 2 2 287.379 0.161 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876753271 614718732 /nfs/dbraw/zinc/71/87/32/614718732.db2.gz JMDSLWIISNIINA-VXGBXAGGSA-N 2 2 287.379 0.161 20 0 CCADLP CC1(C)COC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000895389843 614721428 /nfs/dbraw/zinc/72/14/28/614721428.db2.gz IASRQAMKKIKSPE-NWDGAFQWSA-N 2 2 269.389 0.341 20 0 CCADLP CC1(C)COC[C@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000895389843 614721431 /nfs/dbraw/zinc/72/14/31/614721431.db2.gz IASRQAMKKIKSPE-NWDGAFQWSA-N 2 2 269.389 0.341 20 0 CCADLP CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000960627841 614832591 /nfs/dbraw/zinc/83/25/91/614832591.db2.gz DMBOZCZSNIFAGR-SPWCGHHHSA-N 2 2 288.395 0.902 20 0 CCADLP CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000960627841 614832595 /nfs/dbraw/zinc/83/25/95/614832595.db2.gz DMBOZCZSNIFAGR-SPWCGHHHSA-N 2 2 288.395 0.902 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1CNC(=O)NC ZINC000879338572 614850791 /nfs/dbraw/zinc/85/07/91/614850791.db2.gz WSDXALRHXDMFKD-CHWSQXEVSA-N 2 2 286.420 0.083 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1CNC(=O)NC ZINC000879338572 614850794 /nfs/dbraw/zinc/85/07/94/614850794.db2.gz WSDXALRHXDMFKD-CHWSQXEVSA-N 2 2 286.420 0.083 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC ZINC000879338572 614850797 /nfs/dbraw/zinc/85/07/97/614850797.db2.gz WSDXALRHXDMFKD-CHWSQXEVSA-N 2 2 286.420 0.083 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@@H]1CNC(=O)NC ZINC000879338572 614850802 /nfs/dbraw/zinc/85/08/02/614850802.db2.gz WSDXALRHXDMFKD-CHWSQXEVSA-N 2 2 286.420 0.083 20 0 CCADLP CC1=NO[C@@H](CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000875953763 614985757 /nfs/dbraw/zinc/98/57/57/614985757.db2.gz BQZYADAWOZEJEJ-CYBMUJFWSA-N 2 2 299.419 0.334 20 0 CCADLP CC1=NO[C@@H](CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000875953763 614985759 /nfs/dbraw/zinc/98/57/59/614985759.db2.gz BQZYADAWOZEJEJ-CYBMUJFWSA-N 2 2 299.419 0.334 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)[NH2+]C[C@@H](O)c1ccc(F)cn1 ZINC000843102901 615001844 /nfs/dbraw/zinc/00/18/44/615001844.db2.gz HLXNXQTVKKPNMY-UKRRQHHQSA-N 2 2 299.390 0.937 20 0 CCADLP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000866192019 615012905 /nfs/dbraw/zinc/01/29/05/615012905.db2.gz WWZAOCHYWJWQRM-JQWIXIFHSA-N 2 2 266.345 0.386 20 0 CCADLP CCNC(=O)N1CC[C@H]([NH2+][C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925585871 615056375 /nfs/dbraw/zinc/05/63/75/615056375.db2.gz ATQZQTGXVWQVDT-WDEREUQCSA-N 2 2 254.378 0.520 20 0 CCADLP CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000970440780 615089791 /nfs/dbraw/zinc/08/97/91/615089791.db2.gz WGDRGSJHYUEQQL-RAIGVLPGSA-N 2 2 276.384 0.980 20 0 CCADLP CC[NH2+]C[C@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000980823244 615100981 /nfs/dbraw/zinc/10/09/81/615100981.db2.gz UUXGWMIPEPGSEF-NWDGAFQWSA-N 2 2 250.346 0.730 20 0 CCADLP CCO/C=C/C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000847485270 615142042 /nfs/dbraw/zinc/14/20/42/615142042.db2.gz BMKNSBRXXKMESM-HJTPGIPUSA-N 2 2 281.400 0.821 20 0 CCADLP CCO/C=C/C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000847485270 615142043 /nfs/dbraw/zinc/14/20/43/615142043.db2.gz BMKNSBRXXKMESM-HJTPGIPUSA-N 2 2 281.400 0.821 20 0 CCADLP CCO/C=C/C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855415390 615142097 /nfs/dbraw/zinc/14/20/97/615142097.db2.gz XFFOXKPLBHGNOJ-KPKJPENVSA-N 2 2 257.378 0.536 20 0 CCADLP CCO/C=C/C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855415390 615142098 /nfs/dbraw/zinc/14/20/98/615142098.db2.gz XFFOXKPLBHGNOJ-KPKJPENVSA-N 2 2 257.378 0.536 20 0 CCADLP CC[NH+]1CCN(CCNc2cc(N(C)C)[nH+]cn2)CC1 ZINC000891756010 615158528 /nfs/dbraw/zinc/15/85/28/615158528.db2.gz IITNLPYYWHAICR-UHFFFAOYSA-N 2 2 278.404 0.592 20 0 CCADLP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925547331 615162814 /nfs/dbraw/zinc/16/28/14/615162814.db2.gz NKCCRCWCJAHPGK-KFWWJZLASA-N 3 2 268.449 0.743 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000947762706 615213160 /nfs/dbraw/zinc/21/31/60/615213160.db2.gz YUNHKHGNEGHIHZ-WDEREUQCSA-N 2 2 250.346 0.941 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000947762706 615213162 /nfs/dbraw/zinc/21/31/62/615213162.db2.gz YUNHKHGNEGHIHZ-WDEREUQCSA-N 2 2 250.346 0.941 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000947861680 615214122 /nfs/dbraw/zinc/21/41/22/615214122.db2.gz OIIYLPJFGLBMHA-GHMZBOCLSA-N 2 2 250.346 0.941 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000947861680 615214123 /nfs/dbraw/zinc/21/41/23/615214123.db2.gz OIIYLPJFGLBMHA-GHMZBOCLSA-N 2 2 250.346 0.941 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876718111 615254181 /nfs/dbraw/zinc/25/41/81/615254181.db2.gz LIEJIKXZUWGAIH-QWHCGFSZSA-N 2 2 287.379 0.115 20 0 CCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](O)c2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000866049445 615272474 /nfs/dbraw/zinc/27/24/74/615272474.db2.gz OMQLFQYSRBOQLE-WCFLWFBJSA-N 2 2 280.372 0.632 20 0 CCADLP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](O)c2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000866049445 615272477 /nfs/dbraw/zinc/27/24/77/615272477.db2.gz OMQLFQYSRBOQLE-WCFLWFBJSA-N 2 2 280.372 0.632 20 0 CCADLP CCOCCOCC[N@@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000923413637 615274914 /nfs/dbraw/zinc/27/49/14/615274914.db2.gz WRLMLOPJKJXPMD-QWHCGFSZSA-N 2 2 260.378 0.478 20 0 CCADLP CCOCCOCC[N@H+]1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000923413637 615274917 /nfs/dbraw/zinc/27/49/17/615274917.db2.gz WRLMLOPJKJXPMD-QWHCGFSZSA-N 2 2 260.378 0.478 20 0 CCADLP CCOCCOC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925651002 615284830 /nfs/dbraw/zinc/28/48/30/615284830.db2.gz UTXQDSPGLKNQAN-QWHCGFSZSA-N 2 2 272.389 0.275 20 0 CCADLP CCOC(=O)[C@@H]1C[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903874461 615306043 /nfs/dbraw/zinc/30/60/43/615306043.db2.gz BEDOVBHWFZHHJT-KCQAQPDRSA-N 2 2 298.383 0.019 20 0 CCADLP CCOC(=O)[C@@H]1C[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903874461 615306044 /nfs/dbraw/zinc/30/60/44/615306044.db2.gz BEDOVBHWFZHHJT-KCQAQPDRSA-N 2 2 298.383 0.019 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC000882492167 615312289 /nfs/dbraw/zinc/31/22/89/615312289.db2.gz PUJDWYZJMBNIPS-LBPRGKRZSA-N 2 2 250.346 0.563 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC000882492167 615312292 /nfs/dbraw/zinc/31/22/92/615312292.db2.gz PUJDWYZJMBNIPS-LBPRGKRZSA-N 2 2 250.346 0.563 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@@H]1CCCCC[NH2+]1 ZINC000902481396 615326059 /nfs/dbraw/zinc/32/60/59/615326059.db2.gz CIMFEABSILCPMT-RWMBFGLXSA-N 2 2 269.389 0.402 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@H]1CCCC[NH2+]1 ZINC000817948612 615327947 /nfs/dbraw/zinc/32/79/47/615327947.db2.gz BYXSMCCXOQSHCX-IJLUTSLNSA-N 2 2 255.362 0.012 20 0 CCADLP CCS(=O)(=O)c1ccccc1CC[NH2+][C@H]1CC[NH2+]C1 ZINC000925831244 615354087 /nfs/dbraw/zinc/35/40/87/615354087.db2.gz DASRKMHCFQKOPR-ZDUSSCGKSA-N 2 2 282.409 0.974 20 0 CCADLP CC[C@@H](C(=O)N1CC[NH+](C[C@@H](C)OC)CC1)[NH+](C)C ZINC000950555614 615372354 /nfs/dbraw/zinc/37/23/54/615372354.db2.gz NCCMGUDVZBGRQS-OLZOCXBDSA-N 2 2 271.405 0.506 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1N[C@@H]1CC[NH2+][C@H]1CC ZINC000863543359 615388861 /nfs/dbraw/zinc/38/88/61/615388861.db2.gz MZCVFZMWXSBOEB-QCNOEVLYSA-N 2 2 255.362 0.010 20 0 CCADLP CCO[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C[NH+](C)C ZINC000831714709 615407722 /nfs/dbraw/zinc/40/77/22/615407722.db2.gz XWGKKOLCVZZIGA-AAEUAGOBSA-N 2 2 282.388 0.671 20 0 CCADLP CCO[C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C[NH+](C)C ZINC000831714709 615407724 /nfs/dbraw/zinc/40/77/24/615407724.db2.gz XWGKKOLCVZZIGA-AAEUAGOBSA-N 2 2 282.388 0.671 20 0 CCADLP CCO[C@@H](C[NH2+]C[C@@](C)(O)C(F)(F)F)C[NH+](C)C ZINC000905577725 615410261 /nfs/dbraw/zinc/41/02/61/615410261.db2.gz ABZUWNZZQOIWRN-VHSXEESVSA-N 2 2 272.311 0.856 20 0 CCADLP CCN1C[C@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)CC1=O ZINC000925684083 615422154 /nfs/dbraw/zinc/42/21/54/615422154.db2.gz ZNBCQEJTSHJMNO-NEPJUHHUSA-N 2 2 251.374 0.872 20 0 CCADLP CCO[C@H](CC[NH+](C)C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC000900994731 615479401 /nfs/dbraw/zinc/47/94/01/615479401.db2.gz SHNXUJIQZACVHO-GFCCVEGCSA-N 2 2 268.361 0.425 20 0 CCADLP CC[C@@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1)OC ZINC000962149359 615481534 /nfs/dbraw/zinc/48/15/34/615481534.db2.gz QVWSCDQUWZFGNF-UUIJZJDISA-N 2 2 292.383 0.424 20 0 CCADLP CC[C@@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1)OC ZINC000962149359 615481535 /nfs/dbraw/zinc/48/15/35/615481535.db2.gz QVWSCDQUWZFGNF-UUIJZJDISA-N 2 2 292.383 0.424 20 0 CCADLP CC[C@H](C(=O)N1CCC[NH2+]CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911656767 615564977 /nfs/dbraw/zinc/56/49/77/615564977.db2.gz SQVSUGJZFRFMBH-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@H](C(=O)N1CCC[NH2+]CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000911656767 615564978 /nfs/dbraw/zinc/56/49/78/615564978.db2.gz SQVSUGJZFRFMBH-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)CC1CC[NH+](C)CC1 ZINC000874707704 615566937 /nfs/dbraw/zinc/56/69/37/615566937.db2.gz NPZNOMXYRYNJRM-OAHLLOKOSA-N 2 2 297.443 0.945 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)CC1CC[NH+](C)CC1 ZINC000874707704 615566938 /nfs/dbraw/zinc/56/69/38/615566938.db2.gz NPZNOMXYRYNJRM-OAHLLOKOSA-N 2 2 297.443 0.945 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1C ZINC000925353553 615567788 /nfs/dbraw/zinc/56/77/88/615567788.db2.gz HMFSPWYJTHZWET-BFHYXJOUSA-N 2 2 298.431 0.489 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1C ZINC000925353553 615567789 /nfs/dbraw/zinc/56/77/89/615567789.db2.gz HMFSPWYJTHZWET-BFHYXJOUSA-N 2 2 298.431 0.489 20 0 CCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000925353553 615567790 /nfs/dbraw/zinc/56/77/90/615567790.db2.gz HMFSPWYJTHZWET-BFHYXJOUSA-N 2 2 298.431 0.489 20 0 CCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000925353553 615567791 /nfs/dbraw/zinc/56/77/91/615567791.db2.gz HMFSPWYJTHZWET-BFHYXJOUSA-N 2 2 298.431 0.489 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000877023489 615579613 /nfs/dbraw/zinc/57/96/13/615579613.db2.gz TZODOKNYDJLEFJ-RSNNXLNZSA-N 2 2 267.373 0.132 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N[C@H](C)[C@@H]2CN(C)CC[NH+]2C)CC[N@@H+]1C ZINC000896533215 615585527 /nfs/dbraw/zinc/58/55/27/615585527.db2.gz GHLDDGSMQITDBV-BARDWOONSA-N 2 2 296.459 0.467 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N[C@H](C)[C@@H]2CN(C)CC[NH+]2C)CC[N@H+]1C ZINC000896533215 615585528 /nfs/dbraw/zinc/58/55/28/615585528.db2.gz GHLDDGSMQITDBV-BARDWOONSA-N 2 2 296.459 0.467 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)CC[NH+]1C ZINC000896533215 615585529 /nfs/dbraw/zinc/58/55/29/615585529.db2.gz GHLDDGSMQITDBV-BARDWOONSA-N 2 2 296.459 0.467 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)CC[NH+]1C ZINC000896533215 615585530 /nfs/dbraw/zinc/58/55/30/615585530.db2.gz GHLDDGSMQITDBV-BARDWOONSA-N 2 2 296.459 0.467 20 0 CCADLP CC[C@@](O)(C[NH2+]C[C@H](O)C[NH+](C)C)C(F)(F)F ZINC000905342883 615593436 /nfs/dbraw/zinc/59/34/36/615593436.db2.gz COULSSIMVJIFDR-DTWKUNHWSA-N 2 2 258.284 0.202 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000877435258 615691140 /nfs/dbraw/zinc/69/11/40/615691140.db2.gz ZOQZBLHHKINFKW-XQQFMLRXSA-N 2 2 271.405 0.587 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000877435258 615691142 /nfs/dbraw/zinc/69/11/42/615691142.db2.gz ZOQZBLHHKINFKW-XQQFMLRXSA-N 2 2 271.405 0.587 20 0 CCADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905122046 615710999 /nfs/dbraw/zinc/71/09/99/615710999.db2.gz JUDXAFDFYJFDHH-CHWSQXEVSA-N 2 2 256.390 0.726 20 0 CCADLP CCc1nnc([C@@H](C)[NH+]2CCC(O)(C[NH+](C)C)CC2)[nH]1 ZINC000931480384 615752574 /nfs/dbraw/zinc/75/25/74/615752574.db2.gz AYPGXFGVKMBRHK-LLVKDONJSA-N 2 2 281.404 0.817 20 0 CCADLP CC[C@H](F)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963022692 615789457 /nfs/dbraw/zinc/78/94/57/615789457.db2.gz RQGFMYCZQGMXJA-CIQGVGRVSA-N 2 2 280.347 0.678 20 0 CCADLP CC[C@H](F)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963022692 615789458 /nfs/dbraw/zinc/78/94/58/615789458.db2.gz RQGFMYCZQGMXJA-CIQGVGRVSA-N 2 2 280.347 0.678 20 0 CCADLP C[NH+](C)C1(CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1 ZINC000922982040 615850101 /nfs/dbraw/zinc/85/01/01/615850101.db2.gz MEBIQLALUVDXEM-JTQLQIEISA-N 2 2 263.345 0.201 20 0 CCADLP C[NH+](C)C1(C[NH2+][C@@H]2CN3C[C@@H]2CCC3)CCOCC1 ZINC000925063375 615852375 /nfs/dbraw/zinc/85/23/75/615852375.db2.gz SEQLRBMXZHBJBH-UONOGXRCSA-N 2 2 267.417 0.781 20 0 CCADLP CN(C(=O)[C@@H]1CC[NH+]1C(C)(C)C)[C@@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000897868910 615858663 /nfs/dbraw/zinc/85/86/63/615858663.db2.gz DUKSYGDTQYRXCH-RDBSUJKOSA-N 2 2 295.427 0.791 20 0 CCADLP CN(C(=O)[C@@H]1CC[NH+]1C(C)(C)C)[C@@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000897868910 615858664 /nfs/dbraw/zinc/85/86/64/615858664.db2.gz DUKSYGDTQYRXCH-RDBSUJKOSA-N 2 2 295.427 0.791 20 0 CCADLP CN(C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000897868910 615858665 /nfs/dbraw/zinc/85/86/65/615858665.db2.gz DUKSYGDTQYRXCH-RDBSUJKOSA-N 2 2 295.427 0.791 20 0 CCADLP CN(C(=O)[C@@H]1CC[N@H+]1C(C)(C)C)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000897868910 615858667 /nfs/dbraw/zinc/85/86/67/615858667.db2.gz DUKSYGDTQYRXCH-RDBSUJKOSA-N 2 2 295.427 0.791 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H]2CCC(C)(C)CO2)CC1 ZINC000877959234 615863708 /nfs/dbraw/zinc/86/37/08/615863708.db2.gz SRRHUDGFHDDKJU-CQSZACIVSA-N 2 2 297.443 0.897 20 0 CCADLP C[NH+](C)CC(C)(C)CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864610791 615867636 /nfs/dbraw/zinc/86/76/36/615867636.db2.gz UFWLBCMKASMYEH-AATRIKPKSA-N 2 2 283.416 0.579 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)/C=C\[C@H]1CCOC1 ZINC000855417568 615878529 /nfs/dbraw/zinc/87/85/29/615878529.db2.gz JVQGKAYVXMGYFF-GXMNPTEKSA-N 2 2 283.416 0.579 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)/C=C\[C@H]1CCOC1 ZINC000855417568 615878531 /nfs/dbraw/zinc/87/85/31/615878531.db2.gz JVQGKAYVXMGYFF-GXMNPTEKSA-N 2 2 283.416 0.579 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cnsn1 ZINC000823356681 615879623 /nfs/dbraw/zinc/87/96/23/615879623.db2.gz SALQAVZUACSUOZ-UHFFFAOYSA-N 2 2 286.405 0.543 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cnsn1 ZINC000823356681 615879626 /nfs/dbraw/zinc/87/96/26/615879626.db2.gz SALQAVZUACSUOZ-UHFFFAOYSA-N 2 2 286.405 0.543 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCn1cc([C@H](O)C2CC2)nn1 ZINC000864646148 615880108 /nfs/dbraw/zinc/88/01/08/615880108.db2.gz VBHNNYGPKBORAM-CQSZACIVSA-N 2 2 281.404 0.605 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCn1cc([C@H](O)C2CC2)nn1 ZINC000864646148 615880109 /nfs/dbraw/zinc/88/01/09/615880109.db2.gz VBHNNYGPKBORAM-CQSZACIVSA-N 2 2 281.404 0.605 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=S)NC1CC1 ZINC000849279885 615880146 /nfs/dbraw/zinc/88/01/46/615880146.db2.gz KZAINTTVTWASNH-UHFFFAOYSA-N 2 2 258.435 0.496 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=S)NC1CC1 ZINC000849279885 615880148 /nfs/dbraw/zinc/88/01/48/615880148.db2.gz KZAINTTVTWASNH-UHFFFAOYSA-N 2 2 258.435 0.496 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=S)NC1(C)CC1 ZINC000849280241 615880278 /nfs/dbraw/zinc/88/02/78/615880278.db2.gz RYLXPIMXNMTZRF-UHFFFAOYSA-N 2 2 272.462 0.887 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=S)NC1(C)CC1 ZINC000849280241 615880280 /nfs/dbraw/zinc/88/02/80/615880280.db2.gz RYLXPIMXNMTZRF-UHFFFAOYSA-N 2 2 272.462 0.887 20 0 CCADLP C[NH+](C)CCC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC000856431041 615887512 /nfs/dbraw/zinc/88/75/12/615887512.db2.gz OJQRYQQXZBPFDB-GFCCVEGCSA-N 2 2 280.372 0.521 20 0 CCADLP C[NH+](C)CCNC(=S)NCCc1cn2c([nH+]1)CCCC2 ZINC000916010234 615903312 /nfs/dbraw/zinc/90/33/12/615903312.db2.gz IOYYHOJKEIJGPP-UHFFFAOYSA-N 2 2 295.456 0.788 20 0 CCADLP CC[C@H]1C[N@H+](CCCS(=O)(=O)CCOC)CC[C@@H]1[NH3+] ZINC000843376560 615914334 /nfs/dbraw/zinc/91/43/34/615914334.db2.gz BAWSLXNYGXDLFL-STQMWFEESA-N 2 2 292.445 0.497 20 0 CCADLP CC[C@H]1C[N@@H+](CCCS(=O)(=O)CCOC)CC[C@@H]1[NH3+] ZINC000843376560 615914335 /nfs/dbraw/zinc/91/43/35/615914335.db2.gz BAWSLXNYGXDLFL-STQMWFEESA-N 2 2 292.445 0.497 20 0 CCADLP C[NH+](C)CCn1cc(NC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC000825085073 615916254 /nfs/dbraw/zinc/91/62/54/615916254.db2.gz UDKNLZCEMLLMQW-UHFFFAOYSA-N 2 2 262.317 0.349 20 0 CCADLP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc32)n1 ZINC000857979724 615917938 /nfs/dbraw/zinc/91/79/38/615917938.db2.gz ZSCPAVCDPWXPQH-LLVKDONJSA-N 2 2 288.355 0.516 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858153987 615936121 /nfs/dbraw/zinc/93/61/21/615936121.db2.gz WOLLZRPTIJZWRS-JSGCOSHPSA-N 3 2 257.422 0.761 20 0 CCADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H](O)[C@H]2CCCO2)s1 ZINC000858227587 615958452 /nfs/dbraw/zinc/95/84/52/615958452.db2.gz WDUYDIGXQAJNTL-VXGBXAGGSA-N 2 2 285.413 0.834 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCOC[C@@H]3CCCO3)C[C@H]21 ZINC000931279407 615998392 /nfs/dbraw/zinc/99/83/92/615998392.db2.gz HZQYPUYMPACJKF-IGQOVBAYSA-N 2 2 254.374 0.674 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCOC[C@@H]3CCCO3)C[C@H]21 ZINC000931279407 615998395 /nfs/dbraw/zinc/99/83/95/615998395.db2.gz HZQYPUYMPACJKF-IGQOVBAYSA-N 2 2 254.374 0.674 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=[NH2+])NC2CCC2)n1C ZINC000849007187 616035768 /nfs/dbraw/zinc/03/57/68/616035768.db2.gz KBOZWCKSKQZKKD-UHFFFAOYSA-N 2 2 250.350 0.653 20 0 CCADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC000799126040 616060583 /nfs/dbraw/zinc/06/05/83/616060583.db2.gz YFGYNKRKDBIUHF-OLZOCXBDSA-N 2 2 279.384 0.455 20 0 CCADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC000799126040 616060584 /nfs/dbraw/zinc/06/05/84/616060584.db2.gz YFGYNKRKDBIUHF-OLZOCXBDSA-N 2 2 279.384 0.455 20 0 CCADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000799126040 616060585 /nfs/dbraw/zinc/06/05/85/616060585.db2.gz YFGYNKRKDBIUHF-OLZOCXBDSA-N 2 2 279.384 0.455 20 0 CCADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000799126040 616060586 /nfs/dbraw/zinc/06/05/86/616060586.db2.gz YFGYNKRKDBIUHF-OLZOCXBDSA-N 2 2 279.384 0.455 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]([N@H+](C)CC2CC2)C1 ZINC000972725749 616061344 /nfs/dbraw/zinc/06/13/44/616061344.db2.gz XRWVKHHWQRPJQT-CYBMUJFWSA-N 2 2 276.384 0.905 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]([N@@H+](C)CC2CC2)C1 ZINC000972725749 616061345 /nfs/dbraw/zinc/06/13/45/616061345.db2.gz XRWVKHHWQRPJQT-CYBMUJFWSA-N 2 2 276.384 0.905 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+](C[C@@H]2C[C@@H]3COC[C@H]3O2)CC1 ZINC000929657807 616075828 /nfs/dbraw/zinc/07/58/28/616075828.db2.gz PDNNBVGOBANGFN-VNQPRFMTSA-N 2 2 298.427 0.569 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+](C[C@@H]2C[C@@H]3COC[C@H]3O2)CC1 ZINC000929657807 616075829 /nfs/dbraw/zinc/07/58/29/616075829.db2.gz PDNNBVGOBANGFN-VNQPRFMTSA-N 2 2 298.427 0.569 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897048311 616076463 /nfs/dbraw/zinc/07/64/63/616076463.db2.gz HRDLWPXOKIOERQ-AWEZNQCLSA-N 2 2 292.383 0.452 20 0 CCADLP C[N@H+](CCO)Cc1cn(C[C@@H]2CCCC[NH2+]C2)nn1 ZINC000899742248 616108881 /nfs/dbraw/zinc/10/88/81/616108881.db2.gz UFYKGZHYXNFQRJ-GFCCVEGCSA-N 2 2 267.377 0.092 20 0 CCADLP C[N@@H+](CCO)Cc1cn(C[C@@H]2CCCC[NH2+]C2)nn1 ZINC000899742248 616108882 /nfs/dbraw/zinc/10/88/82/616108882.db2.gz UFYKGZHYXNFQRJ-GFCCVEGCSA-N 2 2 267.377 0.092 20 0 CCADLP C[N@H+](CCO)Cc1cn(C[C@H]2CCCC[NH2+]C2)nn1 ZINC000899742249 616109049 /nfs/dbraw/zinc/10/90/49/616109049.db2.gz UFYKGZHYXNFQRJ-LBPRGKRZSA-N 2 2 267.377 0.092 20 0 CCADLP C[N@@H+](CCO)Cc1cn(C[C@H]2CCCC[NH2+]C2)nn1 ZINC000899742249 616109050 /nfs/dbraw/zinc/10/90/50/616109050.db2.gz UFYKGZHYXNFQRJ-LBPRGKRZSA-N 2 2 267.377 0.092 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H](O)Cc1ccc(F)cc1)C1CC1 ZINC000905476403 616131443 /nfs/dbraw/zinc/13/14/43/616131443.db2.gz ZMVUHIRTBBYCHT-HOTGVXAUSA-N 2 2 296.386 0.774 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H](O)Cc1ccc(F)cc1)C1CC1 ZINC000905476403 616131444 /nfs/dbraw/zinc/13/14/44/616131444.db2.gz ZMVUHIRTBBYCHT-HOTGVXAUSA-N 2 2 296.386 0.774 20 0 CCADLP C[N@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C1(C[NH3+])CCC1 ZINC000903750307 616148112 /nfs/dbraw/zinc/14/81/12/616148112.db2.gz XDBMBEUUINCJPX-STQMWFEESA-N 3 2 253.390 0.568 20 0 CCADLP C[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C1(C[NH3+])CCC1 ZINC000903750307 616148113 /nfs/dbraw/zinc/14/81/13/616148113.db2.gz XDBMBEUUINCJPX-STQMWFEESA-N 3 2 253.390 0.568 20 0 CCADLP C[N@H+](C[C@H]1CCOC1)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972618562 616161589 /nfs/dbraw/zinc/16/15/89/616161589.db2.gz KBVGXXHKIOCBQK-OLZOCXBDSA-N 2 2 292.383 0.521 20 0 CCADLP C[N@@H+](C[C@H]1CCOC1)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972618562 616161591 /nfs/dbraw/zinc/16/15/91/616161591.db2.gz KBVGXXHKIOCBQK-OLZOCXBDSA-N 2 2 292.383 0.521 20 0 CCADLP CN1CC(=O)N(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)C1=O ZINC000923426461 616161615 /nfs/dbraw/zinc/16/16/15/616161615.db2.gz FABZZUGSTYSXSR-LLVKDONJSA-N 2 2 280.372 0.145 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C[C@@H]([NH3+])C3CC3)C2)CC1 ZINC000829482953 616172565 /nfs/dbraw/zinc/17/25/65/616172565.db2.gz BQPMOORFTGCMNG-UKRRQHHQSA-N 3 2 294.443 0.399 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C[C@@H]([NH3+])C3CC3)C2)CC1 ZINC000829482953 616172566 /nfs/dbraw/zinc/17/25/66/616172566.db2.gz BQPMOORFTGCMNG-UKRRQHHQSA-N 3 2 294.443 0.399 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]([NH3+])CC3CC3)C2)CC1 ZINC000884220782 616172589 /nfs/dbraw/zinc/17/25/89/616172589.db2.gz BXBIIEKCWXTRKB-DZGCQCFKSA-N 3 2 294.443 0.399 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]([NH3+])CC3CC3)C2)CC1 ZINC000884220782 616172590 /nfs/dbraw/zinc/17/25/90/616172590.db2.gz BXBIIEKCWXTRKB-DZGCQCFKSA-N 3 2 294.443 0.399 20 0 CCADLP C[NH+]1CCC(O)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000933837926 616174624 /nfs/dbraw/zinc/17/46/24/616174624.db2.gz JZBBONHESCCSSX-UHFFFAOYSA-N 2 2 288.351 0.749 20 0 CCADLP CN(C)c1[nH+]cc(CNC2=[NH+]CCCN2C)n1C ZINC000849007390 616186319 /nfs/dbraw/zinc/18/63/19/616186319.db2.gz YWHZXUVHACCCRQ-UHFFFAOYSA-N 2 2 250.350 0.267 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC000870081693 616192010 /nfs/dbraw/zinc/19/20/10/616192010.db2.gz HQJUVWNVIURSCO-HUUCEWRRSA-N 2 2 289.379 0.959 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC000870081693 616192011 /nfs/dbraw/zinc/19/20/11/616192011.db2.gz HQJUVWNVIURSCO-HUUCEWRRSA-N 2 2 289.379 0.959 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H](O)CC(C)(C)O ZINC000880140160 616199487 /nfs/dbraw/zinc/19/94/87/616199487.db2.gz FHDNSPUXVRVNQG-FRRDWIJNSA-N 2 2 256.390 0.677 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H](O)CC(C)(C)O ZINC000880140160 616199488 /nfs/dbraw/zinc/19/94/88/616199488.db2.gz FHDNSPUXVRVNQG-FRRDWIJNSA-N 2 2 256.390 0.677 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H](O)CC(C)(C)O ZINC000880140160 616199489 /nfs/dbraw/zinc/19/94/89/616199489.db2.gz FHDNSPUXVRVNQG-FRRDWIJNSA-N 2 2 256.390 0.677 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@H](O)CC(C)(C)O ZINC000880140160 616199490 /nfs/dbraw/zinc/19/94/90/616199490.db2.gz FHDNSPUXVRVNQG-FRRDWIJNSA-N 2 2 256.390 0.677 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CC[C@@H]1CCNC1=O ZINC000880141390 616199674 /nfs/dbraw/zinc/19/96/74/616199674.db2.gz IDTHWXHHWSAGDW-RWMBFGLXSA-N 2 2 251.374 0.681 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CC[C@@H]1CCNC1=O ZINC000880141390 616199675 /nfs/dbraw/zinc/19/96/75/616199675.db2.gz IDTHWXHHWSAGDW-RWMBFGLXSA-N 2 2 251.374 0.681 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC[C@@H]1CCNC1=O ZINC000880141390 616199676 /nfs/dbraw/zinc/19/96/76/616199676.db2.gz IDTHWXHHWSAGDW-RWMBFGLXSA-N 2 2 251.374 0.681 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CC[C@@H]1CCNC1=O ZINC000880141390 616199677 /nfs/dbraw/zinc/19/96/77/616199677.db2.gz IDTHWXHHWSAGDW-RWMBFGLXSA-N 2 2 251.374 0.681 20 0 CCADLP C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@H]2CCn3c[nH+]cc32)C1 ZINC000912585564 616202561 /nfs/dbraw/zinc/20/25/61/616202561.db2.gz YDUCAWXWTLCOMU-SMDDNHRTSA-N 2 2 278.356 0.291 20 0 CCADLP C[N@H+]1CCC[C@@](O)(CC(=O)N[C@H]2CCn3c[nH+]cc32)C1 ZINC000912585564 616202562 /nfs/dbraw/zinc/20/25/62/616202562.db2.gz YDUCAWXWTLCOMU-SMDDNHRTSA-N 2 2 278.356 0.291 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC000967926448 616209802 /nfs/dbraw/zinc/20/98/02/616209802.db2.gz VQEMBQOIYMBYQV-PWSUYJOCSA-N 2 2 295.412 0.323 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC000967926448 616209803 /nfs/dbraw/zinc/20/98/03/616209803.db2.gz VQEMBQOIYMBYQV-PWSUYJOCSA-N 2 2 295.412 0.323 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000928072704 616211993 /nfs/dbraw/zinc/21/19/93/616211993.db2.gz GWOMNCYJNJRVKE-FRRDWIJNSA-N 2 2 283.441 0.777 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000928072704 616211994 /nfs/dbraw/zinc/21/19/94/616211994.db2.gz GWOMNCYJNJRVKE-FRRDWIJNSA-N 2 2 283.441 0.777 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928072704 616211995 /nfs/dbraw/zinc/21/19/95/616211995.db2.gz GWOMNCYJNJRVKE-FRRDWIJNSA-N 2 2 283.441 0.777 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928072704 616211996 /nfs/dbraw/zinc/21/19/96/616211996.db2.gz GWOMNCYJNJRVKE-FRRDWIJNSA-N 2 2 283.441 0.777 20 0 CCADLP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925490206 616222565 /nfs/dbraw/zinc/22/25/65/616222565.db2.gz MBSHHDKPJFMEHP-STQMWFEESA-N 3 2 280.416 0.010 20 0 CCADLP C[N@H+](CCCCCCCO)CC(=O)N1CC[NH+](C)CC1 ZINC000879354740 616223143 /nfs/dbraw/zinc/22/31/43/616223143.db2.gz NERMWWLDJWHUBC-UHFFFAOYSA-N 2 2 285.432 0.635 20 0 CCADLP C[N@@H+](CCCCCCCO)CC(=O)N1CC[NH+](C)CC1 ZINC000879354740 616223144 /nfs/dbraw/zinc/22/31/44/616223144.db2.gz NERMWWLDJWHUBC-UHFFFAOYSA-N 2 2 285.432 0.635 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC(F)(F)C[NH3+])CC1(C)C ZINC000892064797 616225551 /nfs/dbraw/zinc/22/55/51/616225551.db2.gz GVTAEGXMMLEPRP-UHFFFAOYSA-N 2 2 264.320 0.316 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC(F)(F)C[NH3+])CC1(C)C ZINC000892064797 616225552 /nfs/dbraw/zinc/22/55/52/616225552.db2.gz GVTAEGXMMLEPRP-UHFFFAOYSA-N 2 2 264.320 0.316 20 0 CCADLP CN(C(=O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1)C1CC1 ZINC000879593161 616239161 /nfs/dbraw/zinc/23/91/61/616239161.db2.gz UPHYIBIQRBJDHH-UHFFFAOYSA-N 2 2 294.443 0.319 20 0 CCADLP CN(C)C(=O)c1cccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000904349734 616245305 /nfs/dbraw/zinc/24/53/05/616245305.db2.gz ALNFEWNZYJKFBG-OAHLLOKOSA-N 2 2 290.411 0.463 20 0 CCADLP CN(C)C(=O)c1cccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000904349734 616245306 /nfs/dbraw/zinc/24/53/06/616245306.db2.gz ALNFEWNZYJKFBG-OAHLLOKOSA-N 2 2 290.411 0.463 20 0 CCADLP Cn1c(Cl)cnc1CN1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000122719301 616246051 /nfs/dbraw/zinc/24/60/51/616246051.db2.gz ZJSHAYVTOXJVKP-VIFPVBQESA-N 2 2 257.769 0.148 20 0 CCADLP Cn1c(Cl)cnc1CN1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000122719301 616246052 /nfs/dbraw/zinc/24/60/52/616246052.db2.gz ZJSHAYVTOXJVKP-VIFPVBQESA-N 2 2 257.769 0.148 20 0 CCADLP COC(=O)/C(C)=C\C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000905532367 616304134 /nfs/dbraw/zinc/30/41/34/616304134.db2.gz QQLBOYIIPYASLN-GYGFLDJKSA-N 2 2 256.346 0.150 20 0 CCADLP COC(=O)/C(C)=C\C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000905532367 616304139 /nfs/dbraw/zinc/30/41/39/616304139.db2.gz QQLBOYIIPYASLN-GYGFLDJKSA-N 2 2 256.346 0.150 20 0 CCADLP COC(CC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)OC ZINC000851863437 616311217 /nfs/dbraw/zinc/31/12/17/616311217.db2.gz NTJQFHCEASXBIS-CYBMUJFWSA-N 2 2 299.415 0.410 20 0 CCADLP COC(CC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1)OC ZINC000851863437 616311221 /nfs/dbraw/zinc/31/12/21/616311221.db2.gz NTJQFHCEASXBIS-CYBMUJFWSA-N 2 2 299.415 0.410 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC[C@H]21 ZINC000827264935 616314435 /nfs/dbraw/zinc/31/44/35/616314435.db2.gz DZBHNYPOHPOGFC-VXGBXAGGSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC[C@H]21 ZINC000827264935 616314438 /nfs/dbraw/zinc/31/44/38/616314438.db2.gz DZBHNYPOHPOGFC-VXGBXAGGSA-N 2 2 262.357 0.895 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000868694077 616320071 /nfs/dbraw/zinc/32/00/71/616320071.db2.gz UWLCEDJJIZWHOI-OCCSQVGLSA-N 2 2 291.399 0.698 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)c1 ZINC000868694077 616320076 /nfs/dbraw/zinc/32/00/76/616320076.db2.gz UWLCEDJJIZWHOI-OCCSQVGLSA-N 2 2 291.399 0.698 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@@H]2C1 ZINC000812320007 616323115 /nfs/dbraw/zinc/32/31/15/616323115.db2.gz ABFBRCJXNMTHQE-MCIONIFRSA-N 2 2 288.395 0.856 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@@H]2C1 ZINC000812320007 616323118 /nfs/dbraw/zinc/32/31/18/616323118.db2.gz ABFBRCJXNMTHQE-MCIONIFRSA-N 2 2 288.395 0.856 20 0 CCADLP C[N@@H+]1CC[C@@H]2C[NH+](CCN3C(=O)CCC3=O)CC[C@@H]21 ZINC000879570810 616334364 /nfs/dbraw/zinc/33/43/64/616334364.db2.gz IWARQVGFRSMRTB-NEPJUHHUSA-N 2 2 265.357 0.161 20 0 CCADLP C[N@H+]1CC[C@@H]2C[NH+](CCN3C(=O)CCC3=O)CC[C@@H]21 ZINC000879570810 616334369 /nfs/dbraw/zinc/33/43/69/616334369.db2.gz IWARQVGFRSMRTB-NEPJUHHUSA-N 2 2 265.357 0.161 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)CC[C@@H]21 ZINC000879570810 616334374 /nfs/dbraw/zinc/33/43/74/616334374.db2.gz IWARQVGFRSMRTB-NEPJUHHUSA-N 2 2 265.357 0.161 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)CC[C@@H]21 ZINC000879570810 616334380 /nfs/dbraw/zinc/33/43/80/616334380.db2.gz IWARQVGFRSMRTB-NEPJUHHUSA-N 2 2 265.357 0.161 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000900684711 616363517 /nfs/dbraw/zinc/36/35/17/616363517.db2.gz VLCDHIMKDXPSRD-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC000951628161 616365584 /nfs/dbraw/zinc/36/55/84/616365584.db2.gz JNFYZKIBIIKXOU-HUUCEWRRSA-N 2 2 295.427 0.794 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC000951628161 616365586 /nfs/dbraw/zinc/36/55/86/616365586.db2.gz JNFYZKIBIIKXOU-HUUCEWRRSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCOCC1 ZINC000913537698 616365952 /nfs/dbraw/zinc/36/59/52/616365952.db2.gz LAXSSWZZALDTMT-BETUJISGSA-N 2 2 267.373 0.014 20 0 CCADLP C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCOCC1 ZINC000913537698 616365955 /nfs/dbraw/zinc/36/59/55/616365955.db2.gz LAXSSWZZALDTMT-BETUJISGSA-N 2 2 267.373 0.014 20 0 CCADLP C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000913533898 616368383 /nfs/dbraw/zinc/36/83/83/616368383.db2.gz DBSMQXNXEYEPGB-FPMFFAJLSA-N 2 2 274.368 0.751 20 0 CCADLP C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000913533898 616368386 /nfs/dbraw/zinc/36/83/86/616368386.db2.gz DBSMQXNXEYEPGB-FPMFFAJLSA-N 2 2 274.368 0.751 20 0 CCADLP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H](O)c3ccccn3)C[C@]2(C)C1 ZINC000933733895 616385750 /nfs/dbraw/zinc/38/57/50/616385750.db2.gz JTNHPAUBXVGMQZ-YUELXQCFSA-N 2 2 261.369 0.999 20 0 CCADLP C[N@H+]1C[C@@H]2C[NH+](C[C@@H](O)c3ccccn3)C[C@]2(C)C1 ZINC000933733895 616385756 /nfs/dbraw/zinc/38/57/56/616385756.db2.gz JTNHPAUBXVGMQZ-YUELXQCFSA-N 2 2 261.369 0.999 20 0 CCADLP C[NH+]1C[C@@H]2C[N@H+](C[C@@H](O)c3ccccn3)C[C@]2(C)C1 ZINC000933733895 616385762 /nfs/dbraw/zinc/38/57/62/616385762.db2.gz JTNHPAUBXVGMQZ-YUELXQCFSA-N 2 2 261.369 0.999 20 0 CCADLP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H](O)c3ccccn3)C[C@]2(C)C1 ZINC000933733895 616385767 /nfs/dbraw/zinc/38/57/67/616385767.db2.gz JTNHPAUBXVGMQZ-YUELXQCFSA-N 2 2 261.369 0.999 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)c1 ZINC000895292036 616390055 /nfs/dbraw/zinc/39/00/55/616390055.db2.gz RJIROOZVSMZETF-DGCLKSJQSA-N 2 2 277.372 0.308 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)c1 ZINC000895292036 616390057 /nfs/dbraw/zinc/39/00/57/616390057.db2.gz RJIROOZVSMZETF-DGCLKSJQSA-N 2 2 277.372 0.308 20 0 CCADLP C[N@@H+]1C[C@]2(C)C[NH+](CCCOC(=O)NC(N)=O)C[C@]2(C)C1 ZINC000931312309 616395566 /nfs/dbraw/zinc/39/55/66/616395566.db2.gz SGNSNUZRZIBHIH-OKILXGFUSA-N 2 2 298.387 0.455 20 0 CCADLP C[N@H+]1C[C@]2(C)C[NH+](CCCOC(=O)NC(N)=O)C[C@]2(C)C1 ZINC000931312309 616395570 /nfs/dbraw/zinc/39/55/70/616395570.db2.gz SGNSNUZRZIBHIH-OKILXGFUSA-N 2 2 298.387 0.455 20 0 CCADLP C[NH+]1C[C@]2(C)C[N@H+](CCCOC(=O)NC(N)=O)C[C@]2(C)C1 ZINC000931312309 616395577 /nfs/dbraw/zinc/39/55/77/616395577.db2.gz SGNSNUZRZIBHIH-OKILXGFUSA-N 2 2 298.387 0.455 20 0 CCADLP C[NH+]1C[C@]2(C)C[N@@H+](CCCOC(=O)NC(N)=O)C[C@]2(C)C1 ZINC000931312309 616395583 /nfs/dbraw/zinc/39/55/83/616395583.db2.gz SGNSNUZRZIBHIH-OKILXGFUSA-N 2 2 298.387 0.455 20 0 CCADLP C[N@@H+]1C[C@]2(C)C[NH+](C[C@H](O)C[C@]3(O)CCOC3)C[C@]2(C)C1 ZINC000931317592 616396837 /nfs/dbraw/zinc/39/68/37/616396837.db2.gz POISWLULCQXEBQ-LVQVYYBASA-N 2 2 298.427 0.162 20 0 CCADLP C[N@H+]1C[C@]2(C)C[NH+](C[C@H](O)C[C@]3(O)CCOC3)C[C@]2(C)C1 ZINC000931317592 616396840 /nfs/dbraw/zinc/39/68/40/616396840.db2.gz POISWLULCQXEBQ-LVQVYYBASA-N 2 2 298.427 0.162 20 0 CCADLP C[NH+]1C[C@]2(C)C[N@H+](C[C@H](O)C[C@]3(O)CCOC3)C[C@]2(C)C1 ZINC000931317592 616396847 /nfs/dbraw/zinc/39/68/47/616396847.db2.gz POISWLULCQXEBQ-LVQVYYBASA-N 2 2 298.427 0.162 20 0 CCADLP C[NH+]1C[C@]2(C)C[N@@H+](C[C@H](O)C[C@]3(O)CCOC3)C[C@]2(C)C1 ZINC000931317592 616396850 /nfs/dbraw/zinc/39/68/50/616396850.db2.gz POISWLULCQXEBQ-LVQVYYBASA-N 2 2 298.427 0.162 20 0 CCADLP C[N@@H+]1CC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC[C@@H]21 ZINC000827264934 616436409 /nfs/dbraw/zinc/43/64/09/616436409.db2.gz DZBHNYPOHPOGFC-RYUDHWBXSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@H+]1CC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)CC[C@@H]21 ZINC000827264934 616436412 /nfs/dbraw/zinc/43/64/12/616436412.db2.gz DZBHNYPOHPOGFC-RYUDHWBXSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2CN2CCOC2=O)C1 ZINC000902196727 616448408 /nfs/dbraw/zinc/44/84/08/616448408.db2.gz RNVBHBMXZZOALG-RYUDHWBXSA-N 2 2 253.346 0.812 20 0 CCADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2CN2CCOC2=O)C1 ZINC000902196727 616448411 /nfs/dbraw/zinc/44/84/11/616448411.db2.gz RNVBHBMXZZOALG-RYUDHWBXSA-N 2 2 253.346 0.812 20 0 CCADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2CN2CCOC2=O)C1 ZINC000902196727 616448413 /nfs/dbraw/zinc/44/84/13/616448413.db2.gz RNVBHBMXZZOALG-RYUDHWBXSA-N 2 2 253.346 0.812 20 0 CCADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2CN2CCOC2=O)C1 ZINC000902196727 616448416 /nfs/dbraw/zinc/44/84/16/616448416.db2.gz RNVBHBMXZZOALG-RYUDHWBXSA-N 2 2 253.346 0.812 20 0 CCADLP COCCNC(=[NH2+])NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000848983423 616482561 /nfs/dbraw/zinc/48/25/61/616482561.db2.gz DSQWIAIDACJYJT-RYUDHWBXSA-N 2 2 286.420 0.635 20 0 CCADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000907794089 616496297 /nfs/dbraw/zinc/49/62/97/616496297.db2.gz OZJKRNINHYZRLI-GUIRCDHDSA-N 2 2 299.390 0.086 20 0 CCADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000907794089 616496299 /nfs/dbraw/zinc/49/62/99/616496299.db2.gz OZJKRNINHYZRLI-GUIRCDHDSA-N 2 2 299.390 0.086 20 0 CCADLP COC(=O)[C@@H]1[C@H](C[NH2+]CC[NH+]2CCCC2)C1(F)F ZINC000894382731 616514442 /nfs/dbraw/zinc/51/44/42/616514442.db2.gz ZXYQSEPKHRPOJW-UWVGGRQHSA-N 2 2 262.300 0.726 20 0 CCADLP CO[C@@H]1C[N@@H+](Cc2[nH]c(C)[nH+]c2C)[C@](C)(CO)C1 ZINC000931469903 616776403 /nfs/dbraw/zinc/77/64/03/616776403.db2.gz HIBVSKRXMCTYRB-AAEUAGOBSA-N 2 2 253.346 0.998 20 0 CCADLP COC[C@@H](C)[N@@H+]1CCCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000981295432 616798030 /nfs/dbraw/zinc/79/80/30/616798030.db2.gz JYMLFPCCKHHFHG-CYBMUJFWSA-N 2 2 294.399 0.912 20 0 CCADLP COC[C@@H](C)[N@H+]1CCCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000981295432 616798035 /nfs/dbraw/zinc/79/80/35/616798035.db2.gz JYMLFPCCKHHFHG-CYBMUJFWSA-N 2 2 294.399 0.912 20 0 CCADLP COC[C@@H](C)[N@@H+]1CCCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000981295432 616798036 /nfs/dbraw/zinc/79/80/36/616798036.db2.gz JYMLFPCCKHHFHG-CYBMUJFWSA-N 2 2 294.399 0.912 20 0 CCADLP COC[C@@H](C)[N@H+]1CCCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000981295432 616798042 /nfs/dbraw/zinc/79/80/42/616798042.db2.gz JYMLFPCCKHHFHG-CYBMUJFWSA-N 2 2 294.399 0.912 20 0 CCADLP CNC(=O)[C@@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)CCO1 ZINC000873209242 616830621 /nfs/dbraw/zinc/83/06/21/616830621.db2.gz ITVVSSZKWXWGTR-LBPRGKRZSA-N 2 2 295.408 0.341 20 0 CCADLP CNC(=O)[C@@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)CCO1 ZINC000873209242 616830625 /nfs/dbraw/zinc/83/06/25/616830625.db2.gz ITVVSSZKWXWGTR-LBPRGKRZSA-N 2 2 295.408 0.341 20 0 CCADLP COC[C@@H](C)OC[C@@H](O)C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517546 616836136 /nfs/dbraw/zinc/83/61/36/616836136.db2.gz AZTLAIKEPCPLKR-NEPJUHHUSA-N 2 2 295.383 0.434 20 0 CCADLP COC(=O)N1CCC[C@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000817902952 616839490 /nfs/dbraw/zinc/83/94/90/616839490.db2.gz CIYHRXNKIDQWBE-MELADBBJSA-N 2 2 297.399 0.574 20 0 CCADLP COC(=O)[C@@H](C1CC1)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879595836 616952262 /nfs/dbraw/zinc/95/22/62/616952262.db2.gz GIGBRINYDXKEHI-OAHLLOKOSA-N 2 2 295.427 0.650 20 0 CCADLP C[NH2+]CCOCC[N@H+](C)CC(=O)Nc1ncccc1C ZINC000866669216 616965106 /nfs/dbraw/zinc/96/51/06/616965106.db2.gz UQLZODAJXLQWQY-UHFFFAOYSA-N 2 2 280.372 0.496 20 0 CCADLP C[NH2+]CCOCC[N@@H+](C)CC(=O)Nc1ncccc1C ZINC000866669216 616965111 /nfs/dbraw/zinc/96/51/11/616965111.db2.gz UQLZODAJXLQWQY-UHFFFAOYSA-N 2 2 280.372 0.496 20 0 CCADLP C[NH2+]C[C@](C)(O)C[NH+]1CCC(CO)(C(F)(F)F)CC1 ZINC000923526923 617001749 /nfs/dbraw/zinc/00/17/49/617001749.db2.gz WBMQDAFXHNOJBW-JTQLQIEISA-N 2 2 284.322 0.594 20 0 CCADLP CON(C)C(=O)CC[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000849325753 617015431 /nfs/dbraw/zinc/01/54/31/617015431.db2.gz RIZKRESASKKVDI-LLVKDONJSA-N 2 2 257.378 0.859 20 0 CCADLP CON(C)C(=O)CC[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000849325753 617015437 /nfs/dbraw/zinc/01/54/37/617015437.db2.gz RIZKRESASKKVDI-LLVKDONJSA-N 2 2 257.378 0.859 20 0 CCADLP C[NH2+][C@@H](C)C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000848412075 617041193 /nfs/dbraw/zinc/04/11/93/617041193.db2.gz JDNOHZRKUUMKDC-JTQLQIEISA-N 2 2 251.330 0.931 20 0 CCADLP CO[C@H](C)CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855416302 617050817 /nfs/dbraw/zinc/05/08/17/617050817.db2.gz JTBNSZULIJKTEF-GFCCVEGCSA-N 2 2 259.394 0.411 20 0 CCADLP CO[C@H](C)CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855416302 617050821 /nfs/dbraw/zinc/05/08/21/617050821.db2.gz JTBNSZULIJKTEF-GFCCVEGCSA-N 2 2 259.394 0.411 20 0 CCADLP CO[C@H](C)C[NH+]1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000948776150 617064536 /nfs/dbraw/zinc/06/45/36/617064536.db2.gz ARUXRDUDQCBXBS-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP CO[C@H](C)C[NH+]1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000948776150 617064540 /nfs/dbraw/zinc/06/45/40/617064540.db2.gz ARUXRDUDQCBXBS-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP COC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962293066 617071993 /nfs/dbraw/zinc/07/19/93/617071993.db2.gz NAMDYZJDYSJMET-MUYACECFSA-N 2 2 292.383 0.044 20 0 CCADLP COC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962293066 617071997 /nfs/dbraw/zinc/07/19/97/617071997.db2.gz NAMDYZJDYSJMET-MUYACECFSA-N 2 2 292.383 0.044 20 0 CCADLP CON1CC[C@@H]([N@H+](C)C[C@@H]2CCC[NH+](C)C2)C1=O ZINC000929702761 617092118 /nfs/dbraw/zinc/09/21/18/617092118.db2.gz PLQXPDLWVALTBY-VXGBXAGGSA-N 2 2 255.362 0.422 20 0 CCADLP CON1CC[C@@H]([N@@H+](C)C[C@@H]2CCC[NH+](C)C2)C1=O ZINC000929702761 617092120 /nfs/dbraw/zinc/09/21/20/617092120.db2.gz PLQXPDLWVALTBY-VXGBXAGGSA-N 2 2 255.362 0.422 20 0 CCADLP CON1CC[C@@H]([NH+](C)C[C@@H]2CCC[N@H+](C)C2)C1=O ZINC000929702761 617092122 /nfs/dbraw/zinc/09/21/22/617092122.db2.gz PLQXPDLWVALTBY-VXGBXAGGSA-N 2 2 255.362 0.422 20 0 CCADLP CON1CC[C@@H]([NH+](C)C[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC000929702761 617092123 /nfs/dbraw/zinc/09/21/23/617092123.db2.gz PLQXPDLWVALTBY-VXGBXAGGSA-N 2 2 255.362 0.422 20 0 CCADLP CO[C@H]1COCC[C@H]1[N@H+](C)CCc1c[nH+]cn1C ZINC000880436932 617116210 /nfs/dbraw/zinc/11/62/10/617116210.db2.gz DBNJAHSZMXSGEE-OLZOCXBDSA-N 2 2 253.346 0.698 20 0 CCADLP CO[C@H]1COCC[C@H]1[N@@H+](C)CCc1c[nH+]cn1C ZINC000880436932 617116211 /nfs/dbraw/zinc/11/62/11/617116211.db2.gz DBNJAHSZMXSGEE-OLZOCXBDSA-N 2 2 253.346 0.698 20 0 CCADLP CS(=O)(=O)CCOCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925571370 625422196 /nfs/dbraw/zinc/42/21/96/625422196.db2.gz HEOTUXUDLGPNHF-GFCCVEGCSA-N 2 2 290.429 0.312 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1c[nH+]cn1C ZINC000892091261 622579058 /nfs/dbraw/zinc/57/90/58/622579058.db2.gz DNFMHQCSBFSFNN-KOLCDFICSA-N 2 2 251.334 0.217 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NCCC1=CC[NH2+]CC1 ZINC000892101611 622588702 /nfs/dbraw/zinc/58/87/02/622588702.db2.gz UOQBBNABKMKJBA-UHFFFAOYSA-N 2 2 263.345 0.529 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@H](CC[NH3+])C(F)F ZINC000892152133 622615063 /nfs/dbraw/zinc/61/50/63/622615063.db2.gz QTKHZUITAXXOCL-MRVPVSSYSA-N 2 2 261.276 0.202 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000892168789 622635453 /nfs/dbraw/zinc/63/54/53/622635453.db2.gz GVIMLUACFPEYRT-UWVGGRQHSA-N 2 2 251.334 0.347 20 0 CCADLP O=C1[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C[C@H]2CCCCN12 ZINC000925692346 625590894 /nfs/dbraw/zinc/59/08/94/625590894.db2.gz JQYYQVKCGNSUTF-XMJPXYOASA-N 2 2 275.396 0.726 20 0 CCADLP CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ncccn2)C1)[NH+](C)C ZINC001019397243 623818125 /nfs/dbraw/zinc/81/81/25/623818125.db2.gz PUKXVZJOMWFPEK-STQMWFEESA-N 2 2 291.399 0.507 20 0 CCADLP CC[C@H](F)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001025719372 623875609 /nfs/dbraw/zinc/87/56/09/623875609.db2.gz MHXIMOOOWHMDGG-PDWCTOEPSA-N 2 2 299.390 0.112 20 0 CCADLP CC[C@H](F)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001025719372 623875610 /nfs/dbraw/zinc/87/56/10/623875610.db2.gz MHXIMOOOWHMDGG-PDWCTOEPSA-N 2 2 299.390 0.112 20 0 CCADLP CC[C@H](F)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001025719372 623875611 /nfs/dbraw/zinc/87/56/11/623875611.db2.gz MHXIMOOOWHMDGG-PDWCTOEPSA-N 2 2 299.390 0.112 20 0 CCADLP CC[C@H](F)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001025719372 623875612 /nfs/dbraw/zinc/87/56/12/623875612.db2.gz MHXIMOOOWHMDGG-PDWCTOEPSA-N 2 2 299.390 0.112 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@@H]([NH2+]CCF)C1 ZINC000969436981 624502385 /nfs/dbraw/zinc/50/23/85/624502385.db2.gz PRFIHFZFCSJLNG-LLVKDONJSA-N 2 2 268.336 0.513 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1C[NH+](CCF)C1 ZINC000969967571 624567365 /nfs/dbraw/zinc/56/73/65/624567365.db2.gz DLHHTNFGRUBIPK-YPMHNXCESA-N 2 2 271.380 0.877 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1C[NH+](CCF)C1 ZINC000969967571 624567366 /nfs/dbraw/zinc/56/73/66/624567366.db2.gz DLHHTNFGRUBIPK-YPMHNXCESA-N 2 2 271.380 0.877 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000812875637 624641265 /nfs/dbraw/zinc/64/12/65/624641265.db2.gz AEOVWFFTCYRFIQ-KBPBESRZSA-N 2 2 264.373 0.587 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000812875637 624641266 /nfs/dbraw/zinc/64/12/66/624641266.db2.gz AEOVWFFTCYRFIQ-KBPBESRZSA-N 2 2 264.373 0.587 20 0 CCADLP C[C@@H]1CC[C@H](C[NH2+][C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)O1 ZINC001021126179 624662805 /nfs/dbraw/zinc/66/28/05/624662805.db2.gz HLHWGZCKFPVGLK-AAVRWANBSA-N 2 2 292.383 0.687 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCF)C1 ZINC001021218851 624682638 /nfs/dbraw/zinc/68/26/38/624682638.db2.gz DDXXZSIYUVYCFI-GSPSYOTPSA-N 2 2 299.390 0.398 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCF)C1 ZINC001021218851 624682639 /nfs/dbraw/zinc/68/26/39/624682639.db2.gz DDXXZSIYUVYCFI-GSPSYOTPSA-N 2 2 299.390 0.398 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CCF)C1 ZINC001021218851 624682640 /nfs/dbraw/zinc/68/26/40/624682640.db2.gz DDXXZSIYUVYCFI-GSPSYOTPSA-N 2 2 299.390 0.398 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCF)C1 ZINC001021218851 624682641 /nfs/dbraw/zinc/68/26/41/624682641.db2.gz DDXXZSIYUVYCFI-GSPSYOTPSA-N 2 2 299.390 0.398 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000970855964 624771860 /nfs/dbraw/zinc/77/18/60/624771860.db2.gz BMZGYJVJSRYGDO-ZIAGYGMSSA-N 2 2 292.383 0.500 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC000970857812 624772492 /nfs/dbraw/zinc/77/24/92/624772492.db2.gz KPYXQKLVZQFRPL-QWHCGFSZSA-N 2 2 278.356 0.110 20 0 CCADLP Cn1cncc1C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000970858264 624772780 /nfs/dbraw/zinc/77/27/80/624772780.db2.gz WBJLCIORNWRWRS-GFCCVEGCSA-N 2 2 288.355 0.007 20 0 CCADLP CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000050248714 624804272 /nfs/dbraw/zinc/80/42/72/624804272.db2.gz BFYWVGXQPJYSHC-CYBMUJFWSA-N 2 2 297.424 0.718 20 0 CCADLP CN(C)S(=O)(=O)c1cccc(C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000050248714 624804273 /nfs/dbraw/zinc/80/42/73/624804273.db2.gz BFYWVGXQPJYSHC-CYBMUJFWSA-N 2 2 297.424 0.718 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3C[C@@H]([NH2+]CCO)C3)ccn12 ZINC001022081022 624871417 /nfs/dbraw/zinc/87/14/17/624871417.db2.gz VSVOHEXALFRNPR-BETUJISGSA-N 2 2 288.351 0.485 20 0 CCADLP C[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000903392929 634557090 /nfs/dbraw/zinc/55/70/90/634557090.db2.gz BQKARGQXFOZUDA-XBFCOCLRSA-N 2 2 254.374 0.864 20 0 CCADLP O=C1CCCN1C[C@H]1CC[N@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903464629 634571298 /nfs/dbraw/zinc/57/12/98/634571298.db2.gz UJZPDRLJCXFMFA-QWHCGFSZSA-N 2 2 251.374 0.683 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000903459659 634565549 /nfs/dbraw/zinc/56/55/49/634565549.db2.gz WITVAFMNDAJSMH-KOLCDFICSA-N 2 2 265.361 0.545 20 0 CCADLP O=C1CCCN1C[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903464629 634571301 /nfs/dbraw/zinc/57/13/01/634571301.db2.gz UJZPDRLJCXFMFA-QWHCGFSZSA-N 2 2 251.374 0.683 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@H]1[NH3+] ZINC000903753053 634637891 /nfs/dbraw/zinc/63/78/91/634637891.db2.gz ZFYKHBKJIXGCCR-FRRDWIJNSA-N 3 2 253.390 0.424 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@H]1[NH3+] ZINC000903753053 634637895 /nfs/dbraw/zinc/63/78/95/634637895.db2.gz ZFYKHBKJIXGCCR-FRRDWIJNSA-N 3 2 253.390 0.424 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2CCN1CCCC1=O ZINC000903797913 634653818 /nfs/dbraw/zinc/65/38/18/634653818.db2.gz LFPCOQCZGCDGFS-GXTWGEPZSA-N 2 2 251.374 0.812 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2CCN1CCCC1=O ZINC000903797913 634653821 /nfs/dbraw/zinc/65/38/21/634653821.db2.gz LFPCOQCZGCDGFS-GXTWGEPZSA-N 2 2 251.374 0.812 20 0 CCADLP Cn1nccc1[C@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000903824401 634658923 /nfs/dbraw/zinc/65/89/23/634658923.db2.gz PZVCIRZYFVAYAG-GXTWGEPZSA-N 2 2 292.383 0.314 20 0 CCADLP Cn1nccc1[C@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000903824401 634658927 /nfs/dbraw/zinc/65/89/27/634658927.db2.gz PZVCIRZYFVAYAG-GXTWGEPZSA-N 2 2 292.383 0.314 20 0 CCADLP O[C@H](COC1CCOCC1)C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903872455 634672859 /nfs/dbraw/zinc/67/28/59/634672859.db2.gz ZZLUPWRDJAYPLV-DZGCQCFKSA-N 2 2 284.400 0.371 20 0 CCADLP O[C@H](COC1CCOCC1)C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903872455 634672862 /nfs/dbraw/zinc/67/28/62/634672862.db2.gz ZZLUPWRDJAYPLV-DZGCQCFKSA-N 2 2 284.400 0.371 20 0 CCADLP O=C1N=NC2C[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCN12 ZINC000903908332 634682759 /nfs/dbraw/zinc/68/27/59/634682759.db2.gz GYWFRTRVMRBUGG-FGWVZKOKSA-N 2 2 263.345 0.330 20 0 CCADLP O=C1N=NC2C[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCN12 ZINC000903908332 634682765 /nfs/dbraw/zinc/68/27/65/634682765.db2.gz GYWFRTRVMRBUGG-FGWVZKOKSA-N 2 2 263.345 0.330 20 0 CCADLP O=c1[nH]nc2n1CC[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903908332 634682770 /nfs/dbraw/zinc/68/27/70/634682770.db2.gz GYWFRTRVMRBUGG-FGWVZKOKSA-N 2 2 263.345 0.330 20 0 CCADLP O=c1[nH]nc2n1CC[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903908332 634682775 /nfs/dbraw/zinc/68/27/75/634682775.db2.gz GYWFRTRVMRBUGG-FGWVZKOKSA-N 2 2 263.345 0.330 20 0 CCADLP [NH3+]Cc1nc2c(s1)CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC000903941884 634696868 /nfs/dbraw/zinc/69/68/68/634696868.db2.gz HIEPBGVYGXYEQK-UHFFFAOYSA-N 3 2 266.414 0.960 20 0 CCADLP [NH3+]Cc1nc2c(s1)CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000903941884 634696874 /nfs/dbraw/zinc/69/68/74/634696874.db2.gz HIEPBGVYGXYEQK-UHFFFAOYSA-N 3 2 266.414 0.960 20 0 CCADLP [NH3+]C1CC[NH+](Cc2ccc(N3CC[NH2+]CC3)o2)CC1 ZINC000904299982 634723745 /nfs/dbraw/zinc/72/37/45/634723745.db2.gz SWDMJHKOPIOVMS-UHFFFAOYSA-N 3 2 264.373 0.612 20 0 CCADLP c1cc(N2CC[NH2+]CC2)oc1C[NH2+]C1CC[NH2+]CC1 ZINC000904350681 634733559 /nfs/dbraw/zinc/73/35/59/634733559.db2.gz OZPMWTBVMFAHMI-UHFFFAOYSA-N 3 2 264.373 0.531 20 0 CCADLP O[C@H](CCC1(O)CCC1)C[NH2+]CCn1cc[nH+]c1 ZINC000905035731 634780091 /nfs/dbraw/zinc/78/00/91/634780091.db2.gz OTBDKYLYKLBKLO-GFCCVEGCSA-N 2 2 253.346 0.529 20 0 CCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H](O)COC1CCOCC1 ZINC000931724838 631062282 /nfs/dbraw/zinc/06/22/82/631062282.db2.gz OOIIKBDBYKEGBG-ZNMIVQPWSA-N 2 2 298.427 0.711 20 0 CCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H](O)COC1CCOCC1 ZINC000931724838 631062289 /nfs/dbraw/zinc/06/22/89/631062289.db2.gz OOIIKBDBYKEGBG-ZNMIVQPWSA-N 2 2 298.427 0.711 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@H](O)COC1CCOCC1 ZINC000931724838 631062295 /nfs/dbraw/zinc/06/22/95/631062295.db2.gz OOIIKBDBYKEGBG-ZNMIVQPWSA-N 2 2 298.427 0.711 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@H](O)COC1CCOCC1 ZINC000931724838 631062301 /nfs/dbraw/zinc/06/23/01/631062301.db2.gz OOIIKBDBYKEGBG-ZNMIVQPWSA-N 2 2 298.427 0.711 20 0 CCADLP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[N@@H+](CCF)CC1 ZINC000981175759 631244925 /nfs/dbraw/zinc/24/49/25/631244925.db2.gz FVMKKWSZXYVYDN-AWEZNQCLSA-N 2 2 283.391 0.832 20 0 CCADLP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[N@H+](CCF)CC1 ZINC000981175759 631244933 /nfs/dbraw/zinc/24/49/33/631244933.db2.gz FVMKKWSZXYVYDN-AWEZNQCLSA-N 2 2 283.391 0.832 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CC2(C1)CCC[N@@H+](CCO)C2 ZINC000981806179 631320861 /nfs/dbraw/zinc/32/08/61/631320861.db2.gz IDAIVYWJTBNIRW-UHFFFAOYSA-N 2 2 292.383 0.259 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CC2(C1)CCC[N@H+](CCO)C2 ZINC000981806179 631320864 /nfs/dbraw/zinc/32/08/64/631320864.db2.gz IDAIVYWJTBNIRW-UHFFFAOYSA-N 2 2 292.383 0.259 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CC2(C1)CCC[N@@H+](CCO)C2 ZINC000981806179 631320869 /nfs/dbraw/zinc/32/08/69/631320869.db2.gz IDAIVYWJTBNIRW-UHFFFAOYSA-N 2 2 292.383 0.259 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CC2(C1)CCC[N@H+](CCO)C2 ZINC000981806179 631320873 /nfs/dbraw/zinc/32/08/73/631320873.db2.gz IDAIVYWJTBNIRW-UHFFFAOYSA-N 2 2 292.383 0.259 20 0 CCADLP Cn1nccc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010370570 631354794 /nfs/dbraw/zinc/35/47/94/631354794.db2.gz YEBUNMVQMHYRHC-JSGCOSHPSA-N 2 2 291.399 0.205 20 0 CCADLP Cn1nccc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010370570 631354802 /nfs/dbraw/zinc/35/48/02/631354802.db2.gz YEBUNMVQMHYRHC-JSGCOSHPSA-N 2 2 291.399 0.205 20 0 CCADLP Cn1nccc1C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001010370570 631354811 /nfs/dbraw/zinc/35/48/11/631354811.db2.gz YEBUNMVQMHYRHC-JSGCOSHPSA-N 2 2 291.399 0.205 20 0 CCADLP Cn1nccc1C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001010370570 631354817 /nfs/dbraw/zinc/35/48/17/631354817.db2.gz YEBUNMVQMHYRHC-JSGCOSHPSA-N 2 2 291.399 0.205 20 0 CCADLP Cc1cc(CC[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)nn1C ZINC000925831133 631360873 /nfs/dbraw/zinc/36/08/73/631360873.db2.gz CIYXZJWHCAULGE-BXUZGUMPSA-N 2 2 266.389 0.628 20 0 CCADLP COCCOCCOCC[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000124907339 631420475 /nfs/dbraw/zinc/42/04/75/631420475.db2.gz IXUFJVRMMOHBMT-KGLIPLIRSA-N 2 2 274.405 0.868 20 0 CCADLP COCCOCCOCC[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000124907339 631420477 /nfs/dbraw/zinc/42/04/77/631420477.db2.gz IXUFJVRMMOHBMT-KGLIPLIRSA-N 2 2 274.405 0.868 20 0 CCADLP C[C@H]([NH2+]C[C@@H](O)c1ccnn1C)[C@@H]1CCCC[NH2+]1 ZINC000925891726 631437137 /nfs/dbraw/zinc/43/71/37/631437137.db2.gz XHLLPKDJQDTSLC-GMXVVIOVSA-N 2 2 252.362 0.574 20 0 CCADLP C[C@H]1CC[N@H+](CCNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000894309159 631702876 /nfs/dbraw/zinc/70/28/76/631702876.db2.gz OFHVBRBMSVGGBP-QWHCGFSZSA-N 2 2 291.399 0.839 20 0 CCADLP C[C@H]1CC[N@@H+](CCNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000894309159 631702886 /nfs/dbraw/zinc/70/28/86/631702886.db2.gz OFHVBRBMSVGGBP-QWHCGFSZSA-N 2 2 291.399 0.839 20 0 CCADLP CN(C)c1nc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cc[nH+]1 ZINC000897220447 632424308 /nfs/dbraw/zinc/42/43/08/632424308.db2.gz BIIGOEXBUXRDPO-STQMWFEESA-N 2 2 291.399 0.578 20 0 CCADLP CN(C)c1nc(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cc[nH+]1 ZINC000897220447 632424314 /nfs/dbraw/zinc/42/43/14/632424314.db2.gz BIIGOEXBUXRDPO-STQMWFEESA-N 2 2 291.399 0.578 20 0 CCADLP O=C(N[C@@H]1CCC[N@@H+](CCO)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001007680994 650088067 /nfs/dbraw/zinc/08/80/67/650088067.db2.gz SDTBSEIGDYALMP-QWHCGFSZSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(N[C@@H]1CCC[N@H+](CCO)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001007680994 650088069 /nfs/dbraw/zinc/08/80/69/650088069.db2.gz SDTBSEIGDYALMP-QWHCGFSZSA-N 2 2 292.383 0.018 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC000987423812 632866841 /nfs/dbraw/zinc/86/68/41/632866841.db2.gz XMNDFWOCJJAWLR-QWRGUYRKSA-N 2 2 250.346 0.860 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897760458 633236164 /nfs/dbraw/zinc/23/61/64/633236164.db2.gz RGANASFRBUIHKB-GXFFZTMASA-N 2 2 279.388 0.856 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000897760458 633236171 /nfs/dbraw/zinc/23/61/71/633236171.db2.gz RGANASFRBUIHKB-GXFFZTMASA-N 2 2 279.388 0.856 20 0 CCADLP O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000897764187 633236773 /nfs/dbraw/zinc/23/67/73/633236773.db2.gz AUZHIYAMCOPLBF-IJLUTSLNSA-N 2 2 278.356 0.086 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000898169232 633282935 /nfs/dbraw/zinc/28/29/35/633282935.db2.gz GRIRAXRHVBXAEC-RWMBFGLXSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000898169232 633282936 /nfs/dbraw/zinc/28/29/36/633282936.db2.gz GRIRAXRHVBXAEC-RWMBFGLXSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000898169232 633282943 /nfs/dbraw/zinc/28/29/43/633282943.db2.gz GRIRAXRHVBXAEC-RWMBFGLXSA-N 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Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)on1 ZINC001010369455 650207492 /nfs/dbraw/zinc/20/74/92/650207492.db2.gz KUCVVVIHFLPEPC-JSGCOSHPSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)on1 ZINC001010369455 650207495 /nfs/dbraw/zinc/20/74/95/650207495.db2.gz KUCVVVIHFLPEPC-JSGCOSHPSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)on1 ZINC001010369455 650207496 /nfs/dbraw/zinc/20/74/96/650207496.db2.gz KUCVVVIHFLPEPC-JSGCOSHPSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)on1 ZINC001010369455 650207497 /nfs/dbraw/zinc/20/74/97/650207497.db2.gz KUCVVVIHFLPEPC-JSGCOSHPSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1nocc1C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001010370306 650208869 /nfs/dbraw/zinc/20/88/69/650208869.db2.gz VHODKFOACHEABC-KBPBESRZSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1nocc1C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001010370306 650208872 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C[C@@]1(NC(=O)CCc2c[nH+]c[nH]2)C[NH+]2CCC1CC2 ZINC000912376844 636565917 /nfs/dbraw/zinc/56/59/17/636565917.db2.gz KYPILPGYIBJZFI-CQSZACIVSA-N 2 2 262.357 0.943 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)N(C)CC[N@@H+](C)CCO)ccn12 ZINC000912598127 636610262 /nfs/dbraw/zinc/61/02/62/636610262.db2.gz CAIAQRZBWAGYHR-UHFFFAOYSA-N 2 2 290.367 0.639 20 0 CCADLP O=C([C@@H]1CCCc2[nH+]ccn21)N1CC[NH+](CCCO)CC1 ZINC000948755705 637034662 /nfs/dbraw/zinc/03/46/62/637034662.db2.gz JCQFIMFCBFDDSB-ZDUSSCGKSA-N 2 2 292.383 0.287 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@H]1[N@H+](CCF)CC2 ZINC000992535387 637466581 /nfs/dbraw/zinc/46/65/81/637466581.db2.gz PMRVXYNYISGQTI-OCCSQVGLSA-N 2 2 280.347 0.966 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@H]1[N@@H+](CCF)CC2 ZINC000992535387 637466588 /nfs/dbraw/zinc/46/65/88/637466588.db2.gz PMRVXYNYISGQTI-OCCSQVGLSA-N 2 2 280.347 0.966 20 0 CCADLP C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C)C[C@H]1[NH+]1CCOCC1 ZINC000925413672 637681723 /nfs/dbraw/zinc/68/17/23/637681723.db2.gz LGNNRMGIEPGXMP-HZSPNIEDSA-N 2 2 296.415 0.053 20 0 CCADLP C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C)C[C@H]1[NH+]1CCOCC1 ZINC000925413672 637681726 /nfs/dbraw/zinc/68/17/26/637681726.db2.gz LGNNRMGIEPGXMP-HZSPNIEDSA-N 2 2 296.415 0.053 20 0 CCADLP C[N@@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000915854477 637801360 /nfs/dbraw/zinc/80/13/60/637801360.db2.gz PAOPDNGQYQMSNI-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP C[N@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000915854477 637801361 /nfs/dbraw/zinc/80/13/61/637801361.db2.gz PAOPDNGQYQMSNI-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP C[NH+]1CC[C@@H]1CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000915854477 637801362 /nfs/dbraw/zinc/80/13/62/637801362.db2.gz PAOPDNGQYQMSNI-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP C[NH+]1CC[C@@H]1CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000915854477 637801364 /nfs/dbraw/zinc/80/13/64/637801364.db2.gz PAOPDNGQYQMSNI-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CC1CC1 ZINC000939533977 638375170 /nfs/dbraw/zinc/37/51/70/638375170.db2.gz HKAJZCMYAXZOKP-BXUZGUMPSA-N 2 2 276.384 0.809 20 0 CCADLP CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000995231974 638645713 /nfs/dbraw/zinc/64/57/13/638645713.db2.gz BICPFDQSJGUOSG-VXGBXAGGSA-N 2 2 250.346 0.778 20 0 CCADLP C[C@H](O)C[NH2+]C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000996651415 638825842 /nfs/dbraw/zinc/82/58/42/638825842.db2.gz PWFMKORYZUJVKA-NSHDSACASA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H](O)C[NH2+]C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000996651415 638825843 /nfs/dbraw/zinc/82/58/43/638825843.db2.gz PWFMKORYZUJVKA-NSHDSACASA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000996684542 638828515 /nfs/dbraw/zinc/82/85/15/638828515.db2.gz ORAIFEXMPHAQHX-RAIGVLPGSA-N 2 2 292.383 0.475 20 0 CCADLP C[C@@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000996684542 638828517 /nfs/dbraw/zinc/82/85/17/638828517.db2.gz ORAIFEXMPHAQHX-RAIGVLPGSA-N 2 2 292.383 0.475 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC000996711860 638829714 /nfs/dbraw/zinc/82/97/14/638829714.db2.gz CGCHAEYYGXSACT-RYUDHWBXSA-N 2 2 280.372 0.091 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([NH2+]Cc2cnon2)CC1 ZINC000997042358 638849904 /nfs/dbraw/zinc/84/99/04/638849904.db2.gz PCJMXKOTXFJHHV-UHFFFAOYSA-N 2 2 290.327 0.116 20 0 CCADLP CC[NH2+]C1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000997146667 638856258 /nfs/dbraw/zinc/85/62/58/638856258.db2.gz ZCIPCQBVZBWZKU-UHFFFAOYSA-N 2 2 295.427 0.842 20 0 CCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001000545308 639117706 /nfs/dbraw/zinc/11/77/06/639117706.db2.gz LDLLLSBWVVOHLY-LLVKDONJSA-N 2 2 250.346 0.941 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](CCF)CC2)O1 ZINC001003137437 639512932 /nfs/dbraw/zinc/51/29/32/639512932.db2.gz JGYMSQNFALTTLP-DGCLKSJQSA-N 2 2 287.379 0.256 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC1CC[NH+](CCF)CC1 ZINC001003319587 639528605 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C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000879993657 647140333 /nfs/dbraw/zinc/14/03/33/647140333.db2.gz ZOAUCDYIQXESBQ-DGCLKSJQSA-N 2 2 280.372 0.161 20 0 CCADLP O=C(N[C@H](CO)C[NH+]1CCCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000879992451 647140928 /nfs/dbraw/zinc/14/09/28/647140928.db2.gz LVZCLOKXOAKRDF-OLZOCXBDSA-N 2 2 292.383 0.018 20 0 CCADLP C[C@@H]1C[N@H+](CC2OCCO2)CCN1c1cc[nH+]cc1 ZINC000880258634 647177080 /nfs/dbraw/zinc/17/70/80/647177080.db2.gz BODVTLWTJPZBEN-GFCCVEGCSA-N 2 2 263.341 0.965 20 0 CCADLP C[C@@H]1C[N@@H+](CC2OCCO2)CCN1c1cc[nH+]cc1 ZINC000880258634 647177081 /nfs/dbraw/zinc/17/70/81/647177081.db2.gz BODVTLWTJPZBEN-GFCCVEGCSA-N 2 2 263.341 0.965 20 0 CCADLP C[C@@H](CCO)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883370366 647518228 /nfs/dbraw/zinc/51/82/28/647518228.db2.gz KKOUFNBUXYVPQW-LSDHHAIUSA-N 2 2 285.432 0.144 20 0 CCADLP C[C@H](NC(=O)[C@H]1C[NH2+]CC1(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000884212589 647669513 /nfs/dbraw/zinc/66/95/13/647669513.db2.gz JCFOOPDXDTXLDX-RWMBFGLXSA-N 2 2 283.416 0.457 20 0 CCADLP [NH3+][C@@H](CC1CC1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000884405169 647729208 /nfs/dbraw/zinc/72/92/08/647729208.db2.gz JGKNMISAXJDEGN-OLZOCXBDSA-N 2 2 267.373 0.047 20 0 CCADLP O=C(C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)NCC1CC1 ZINC000886870312 648027683 /nfs/dbraw/zinc/02/76/83/648027683.db2.gz VLXZETYWXVGTPX-HNNXBMFYSA-N 2 2 265.401 0.978 20 0 CCADLP O=C(C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)NCC1CC1 ZINC000886870312 648027689 /nfs/dbraw/zinc/02/76/89/648027689.db2.gz VLXZETYWXVGTPX-HNNXBMFYSA-N 2 2 265.401 0.978 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889756877 648245170 /nfs/dbraw/zinc/24/51/70/648245170.db2.gz OXMXLHODISIDHC-KGLIPLIRSA-N 2 2 292.383 0.318 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889756877 648245174 /nfs/dbraw/zinc/24/51/74/648245174.db2.gz OXMXLHODISIDHC-KGLIPLIRSA-N 2 2 292.383 0.318 20 0 CCADLP 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MLQXLQIADXBXIY-GOEBONIOSA-N 3 2 276.428 0.960 20 0 CCADLP [NH3+][C@H]1C[C@@H]([NH+]2CCN(c3nccnn3)CC2)C12CCC2 ZINC000925724245 648457215 /nfs/dbraw/zinc/45/72/15/648457215.db2.gz XZFDXWPUYQEETP-NWDGAFQWSA-N 2 2 274.372 0.264 20 0 CCADLP Cc1[nH]ncc1[C@@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925810764 648463589 /nfs/dbraw/zinc/46/35/89/648463589.db2.gz BFSVPUFWEFNRDU-SNVBAGLBSA-N 2 2 251.378 0.792 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925842282 648465442 /nfs/dbraw/zinc/46/54/42/648465442.db2.gz LDOBCPMUQRIQMG-KGLIPLIRSA-N 3 2 254.422 0.531 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925839202 648465643 /nfs/dbraw/zinc/46/56/43/648465643.db2.gz GZFKIDFGBMNVBC-KBUPBQIOSA-N 3 2 267.417 0.875 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000925831633 648465801 /nfs/dbraw/zinc/46/58/01/648465801.db2.gz KTZCVSWGTOURJW-QWRGUYRKSA-N 2 2 262.419 0.645 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)C(C)(C)CO 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649020274 /nfs/dbraw/zinc/02/02/74/649020274.db2.gz HXUZMRAAXBSACN-CFVMTHIKSA-N 2 2 275.352 0.956 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000933385327 649120635 /nfs/dbraw/zinc/12/06/35/649120635.db2.gz GJOLAWACIPPBEX-GZBFAFLISA-N 2 2 284.400 0.227 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000933385327 649120636 /nfs/dbraw/zinc/12/06/36/649120636.db2.gz GJOLAWACIPPBEX-GZBFAFLISA-N 2 2 284.400 0.227 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCCCCNC(=O)CC1 ZINC000934156313 649159959 /nfs/dbraw/zinc/15/99/59/649159959.db2.gz NYKQHRRUTVVAMK-UHFFFAOYSA-N 2 2 264.373 0.955 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCCCCNC(=O)CC1 ZINC000934156313 649159962 /nfs/dbraw/zinc/15/99/62/649159962.db2.gz NYKQHRRUTVVAMK-UHFFFAOYSA-N 2 2 264.373 0.955 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCC[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000948886583 649400058 /nfs/dbraw/zinc/40/00/58/649400058.db2.gz OXTQWJYNOJRHHK-CHWSQXEVSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@@H](O)C[N@H+]1CCC[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000948886583 649400063 /nfs/dbraw/zinc/40/00/63/649400063.db2.gz OXTQWJYNOJRHHK-CHWSQXEVSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000949117607 649412295 /nfs/dbraw/zinc/41/22/95/649412295.db2.gz ALHFXPOALDHCGY-LBPRGKRZSA-N 2 2 288.351 0.473 20 0 CCADLP C[C@H](CC(=O)N1CC[NH+](CCCO)CC1)n1cc[nH+]c1 ZINC000950961661 649504836 /nfs/dbraw/zinc/50/48/36/649504836.db2.gz DUZNHHDLHRARLP-CYBMUJFWSA-N 2 2 280.372 0.361 20 0 CCADLP O=C([C@H]1CCC[C@@H]2CCC[N@@H+]21)N1CC[NH+](CCO)CC1 ZINC000951627898 649552258 /nfs/dbraw/zinc/55/22/58/649552258.db2.gz BHWJSVGRESRAMZ-ZIAGYGMSSA-N 2 2 281.400 0.140 20 0 CCADLP O=C([C@H]1CCC[C@@H]2CCC[N@H+]21)N1CC[NH+](CCO)CC1 ZINC000951627898 649552263 /nfs/dbraw/zinc/55/22/63/649552263.db2.gz BHWJSVGRESRAMZ-ZIAGYGMSSA-N 2 2 281.400 0.140 20 0 CCADLP C[N@@H+]1CCC[C@@H]2C[NH+](CN3CCCC3=O)CC[C@H]21 ZINC000247242289 649705084 /nfs/dbraw/zinc/70/50/84/649705084.db2.gz ZAKDJLQAZCJHDI-CHWSQXEVSA-N 2 2 251.374 0.982 20 0 CCADLP C[N@H+]1CCC[C@@H]2C[NH+](CN3CCCC3=O)CC[C@H]21 ZINC000247242289 649705086 /nfs/dbraw/zinc/70/50/86/649705086.db2.gz ZAKDJLQAZCJHDI-CHWSQXEVSA-N 2 2 251.374 0.982 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@H+](CN3CCCC3=O)CC[C@H]21 ZINC000247242289 649705088 /nfs/dbraw/zinc/70/50/88/649705088.db2.gz ZAKDJLQAZCJHDI-CHWSQXEVSA-N 2 2 251.374 0.982 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@@H+](CN3CCCC3=O)CC[C@H]21 ZINC000247242289 649705091 /nfs/dbraw/zinc/70/50/91/649705091.db2.gz ZAKDJLQAZCJHDI-CHWSQXEVSA-N 2 2 251.374 0.982 20 0 CCADLP C[C@H]1CN(C(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000251745533 649817659 /nfs/dbraw/zinc/81/76/59/649817659.db2.gz LBRNCSFECPSPAV-ICIURTGMSA-N 2 2 281.400 0.449 20 0 CCADLP C[C@H]1CN(C(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000251745533 649817661 /nfs/dbraw/zinc/81/76/61/649817661.db2.gz LBRNCSFECPSPAV-ICIURTGMSA-N 2 2 281.400 0.449 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CCO1 ZINC000252413494 649825487 /nfs/dbraw/zinc/82/54/87/649825487.db2.gz DBVTVGHGGYAYIU-RBSFLKMASA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CCO1 ZINC000252413494 649825491 /nfs/dbraw/zinc/82/54/91/649825491.db2.gz DBVTVGHGGYAYIU-RBSFLKMASA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1cccc(N)[nH+]1 ZINC001164927217 721855172 /nfs/dbraw/zinc/85/51/72/721855172.db2.gz KCYOFZOEWYEJOU-OLZOCXBDSA-N 2 2 275.400 0.878 20 0 CCADLP CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1cccc(N)[nH+]1 ZINC001164927217 721855173 /nfs/dbraw/zinc/85/51/73/721855173.db2.gz KCYOFZOEWYEJOU-OLZOCXBDSA-N 2 2 275.400 0.878 20 0 CCADLP CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1cccc(N)[nH+]1 ZINC001164927217 721855175 /nfs/dbraw/zinc/85/51/75/721855175.db2.gz KCYOFZOEWYEJOU-OLZOCXBDSA-N 2 2 275.400 0.878 20 0 CCADLP C[C@H](O)CCC[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001230438538 805601959 /nfs/dbraw/zinc/60/19/59/805601959.db2.gz VXLWCCCGWYPXHF-ZDUSSCGKSA-N 2 2 294.399 0.625 20 0 CCADLP COC[C@H](C)[NH2+]C1CC(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001100392443 790362650 /nfs/dbraw/zinc/36/26/50/790362650.db2.gz JSWZFXBUFFGSEB-DCBWTQNWSA-N 2 2 294.399 0.862 20 0 CCADLP COC[C@H](C)[NH2+]C1CC(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001100392443 790362661 /nfs/dbraw/zinc/36/26/61/790362661.db2.gz JSWZFXBUFFGSEB-DCBWTQNWSA-N 2 2 294.399 0.862 20 0 CCADLP C[C@H]1CCCN(c2cc(N3C[C@@H](O)[C@@H]([NH3+])C3)nc[nH+]2)C1 ZINC001167089570 790515611 /nfs/dbraw/zinc/51/56/11/790515611.db2.gz KWFBCILXDOLCHW-SDDRHHMPSA-N 2 2 277.372 0.221 20 0 CCADLP CN(C)C(=O)C1C[NH+](CCC[NH+]2CCCCC2)C1 ZINC001209448528 790642946 /nfs/dbraw/zinc/64/29/46/790642946.db2.gz AUCMSXLUVPLLEY-UHFFFAOYSA-N 2 2 253.390 0.882 20 0 CCADLP CC[C@H](F)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001266552390 790918702 /nfs/dbraw/zinc/91/87/02/790918702.db2.gz XFELRNPDVCMPLG-QWRGUYRKSA-N 2 2 268.336 0.891 20 0 CCADLP CO[C@@H](C)C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167346334 790934398 /nfs/dbraw/zinc/93/43/98/790934398.db2.gz NLSPUBWMXYJJAG-JTQLQIEISA-N 2 2 254.334 0.083 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)c2ncoc2C[NH3+])CC1 ZINC000721463677 791107907 /nfs/dbraw/zinc/10/79/07/791107907.db2.gz HMWNAKTYLSLJEC-UHFFFAOYSA-N 2 2 252.318 0.300 20 0 CCADLP Cc1nnc(C[N@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)o1 ZINC001277565979 805854059 /nfs/dbraw/zinc/85/40/59/805854059.db2.gz ASJDANQBIILBJS-STQMWFEESA-N 2 2 279.388 0.588 20 0 CCADLP Cc1nnc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)o1 ZINC001277565979 805854067 /nfs/dbraw/zinc/85/40/67/805854067.db2.gz ASJDANQBIILBJS-STQMWFEESA-N 2 2 279.388 0.588 20 0 CCADLP COC(=O)c1ccc(C[N@H+](C)CCN2CC[NH+](C)CC2)[nH]1 ZINC001232076466 805896578 /nfs/dbraw/zinc/89/65/78/805896578.db2.gz CZYJASBARAZJHT-UHFFFAOYSA-N 2 2 294.399 0.481 20 0 CCADLP CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@H+]2C1CC[NH+](C)CC1 ZINC001277626770 805905619 /nfs/dbraw/zinc/90/56/19/805905619.db2.gz AZGYOUBXJNLBSR-OKILXGFUSA-N 2 2 280.416 0.957 20 0 CCADLP CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)[N@@H+]2C1CC[NH+](C)CC1 ZINC001277626770 805905624 /nfs/dbraw/zinc/90/56/24/805905624.db2.gz AZGYOUBXJNLBSR-OKILXGFUSA-N 2 2 280.416 0.957 20 0 CCADLP CC(C)COCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001266714688 791173757 /nfs/dbraw/zinc/17/37/57/791173757.db2.gz PCFBHRPFNAZEKQ-BETUJISGSA-N 2 2 294.399 0.862 20 0 CCADLP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CCO ZINC001266957860 791393130 /nfs/dbraw/zinc/39/31/30/791393130.db2.gz YUTQPQUYSDMUPR-JTQLQIEISA-N 2 2 262.313 0.035 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](C[NH2+]CCF)C1 ZINC001267058614 791487750 /nfs/dbraw/zinc/48/77/50/791487750.db2.gz MZKNVEIDVZCVFH-JHJVBQTASA-N 2 2 294.374 0.931 20 0 CCADLP Cc1[nH+]c[nH]c1CN(CC[NH+](C)C)CC[NH+](C)C ZINC001204588352 791557998 /nfs/dbraw/zinc/55/79/98/791557998.db2.gz HXHWYPDORVSMPL-UHFFFAOYSA-N 3 2 253.394 0.643 20 0 CCADLP CC(C)[N@@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]cn3C)[C@H]2C1 ZINC001083250002 791621991 /nfs/dbraw/zinc/62/19/91/791621991.db2.gz NUALERZREXYHMY-UONOGXRCSA-N 2 2 292.383 0.283 20 0 CCADLP CC(C)[N@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]cn3C)[C@H]2C1 ZINC001083250002 791621994 /nfs/dbraw/zinc/62/19/94/791621994.db2.gz NUALERZREXYHMY-UONOGXRCSA-N 2 2 292.383 0.283 20 0 CCADLP Oc1cnc(Cl)cc1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234993550 806340785 /nfs/dbraw/zinc/34/07/85/806340785.db2.gz VGQYFRLHZVKZCI-CYBMUJFWSA-N 2 2 282.775 0.578 20 0 CCADLP Cc1cc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc(C)n1 ZINC001235063104 806366066 /nfs/dbraw/zinc/36/60/66/806366066.db2.gz ODHZCSJBJSHRMI-HNNXBMFYSA-N 2 2 260.385 0.836 20 0 CCADLP Cc1cc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc(C)n1 ZINC001235063104 806366074 /nfs/dbraw/zinc/36/60/74/806366074.db2.gz ODHZCSJBJSHRMI-HNNXBMFYSA-N 2 2 260.385 0.836 20 0 CCADLP c1cc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]32)cc(N2CC[NH2+]CC2)c1 ZINC001235262374 806397166 /nfs/dbraw/zinc/39/71/66/806397166.db2.gz QRRCYXSXXQOPAM-WBVHZDCISA-N 3 2 286.423 0.890 20 0 CCADLP c1cc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]32)cc(N2CC[NH2+]CC2)c1 ZINC001235262374 806397172 /nfs/dbraw/zinc/39/71/72/806397172.db2.gz QRRCYXSXXQOPAM-WBVHZDCISA-N 3 2 286.423 0.890 20 0 CCADLP COCC[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001277945443 806424079 /nfs/dbraw/zinc/42/40/79/806424079.db2.gz ANBRCUWDSILMFN-SNVBAGLBSA-N 2 2 254.334 0.035 20 0 CCADLP [NH3+]CC[N@@H+]1CC[C@@]2(C1)CCCN(c1ncccn1)C2 ZINC001235514241 806441659 /nfs/dbraw/zinc/44/16/59/806441659.db2.gz DNCLRRBPBBQISN-CQSZACIVSA-N 2 2 261.373 0.728 20 0 CCADLP [NH3+]CC[N@H+]1CC[C@@]2(C1)CCCN(c1ncccn1)C2 ZINC001235514241 806441665 /nfs/dbraw/zinc/44/16/65/806441665.db2.gz DNCLRRBPBBQISN-CQSZACIVSA-N 2 2 261.373 0.728 20 0 CCADLP OCCC[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001235534823 806447104 /nfs/dbraw/zinc/44/71/04/806447104.db2.gz AFMDNYVTZBBGNX-KBPBESRZSA-N 2 2 261.369 0.828 20 0 CCADLP CC(C)C(=O)N[C@@H]1COCCC12CC[NH+](C[C@@H](C)[NH3+])CC2 ZINC001235595020 806467152 /nfs/dbraw/zinc/46/71/52/806467152.db2.gz AXGJIWSABSJHPU-ZIAGYGMSSA-N 2 2 297.443 0.977 20 0 CCADLP [NH3+]CC[N@H+]1C[C@H]2CN(C(=O)c3cscn3)CC[C@@H]2C1 ZINC001235629804 806477276 /nfs/dbraw/zinc/47/72/76/806477276.db2.gz SYAJIRWHVSKUJV-MNOVXSKESA-N 2 2 280.397 0.496 20 0 CCADLP [NH3+]CC[N@@H+]1C[C@H]2CN(C(=O)c3cscn3)CC[C@@H]2C1 ZINC001235629804 806477279 /nfs/dbraw/zinc/47/72/79/806477279.db2.gz SYAJIRWHVSKUJV-MNOVXSKESA-N 2 2 280.397 0.496 20 0 CCADLP [NH3+]CCN1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001235638267 806478933 /nfs/dbraw/zinc/47/89/33/806478933.db2.gz XPGMZWLZTXKLGX-UHFFFAOYSA-N 2 2 278.404 0.081 20 0 CCADLP COC(=O)C1(C)CC[NH+](C[C@@H]2C[NH2+]C(C)(C)O2)CC1 ZINC001235719054 806495947 /nfs/dbraw/zinc/49/59/47/806495947.db2.gz RFHLVQIFMQWOFY-NSHDSACASA-N 2 2 270.373 0.986 20 0 CCADLP S=C1C=COC1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235873408 806512201 /nfs/dbraw/zinc/51/22/01/806512201.db2.gz HEXKEWQZBZADLX-UHFFFAOYSA-N 2 2 284.429 0.153 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC3(CC2)CC(=O)NC(=O)C3)O1 ZINC001235962226 806521052 /nfs/dbraw/zinc/52/10/52/806521052.db2.gz IJTKVEJNUPWPDJ-NSHDSACASA-N 2 2 295.383 0.230 20 0 CCADLP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1cccc(-c3nn[nH]n3)c1)C2 ZINC001235985344 806521998 /nfs/dbraw/zinc/52/19/98/806521998.db2.gz CATMIZXISHDOPU-TZMCWYRMSA-N 2 2 270.340 0.790 20 0 CCADLP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1cccc(-c3nn[nH]n3)c1)C2 ZINC001235985344 806522005 /nfs/dbraw/zinc/52/20/05/806522005.db2.gz CATMIZXISHDOPU-TZMCWYRMSA-N 2 2 270.340 0.790 20 0 CCADLP COC(=O)[C@H]1C[N@H+](CC2Cc3ccccc3C2)C[C@@H]1[NH3+] ZINC001236337837 806568462 /nfs/dbraw/zinc/56/84/62/806568462.db2.gz BHRVOFSRFJTERT-GJZGRUSLSA-N 2 2 274.364 0.834 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](CC2Cc3ccccc3C2)C[C@@H]1[NH3+] ZINC001236337837 806568468 /nfs/dbraw/zinc/56/84/68/806568468.db2.gz BHRVOFSRFJTERT-GJZGRUSLSA-N 2 2 274.364 0.834 20 0 CCADLP CCCCc1[nH]c(CN2C[C@H]([NH3+])[C@@H](C(=O)OC)C2)c[nH+]1 ZINC001236353785 806583544 /nfs/dbraw/zinc/58/35/44/806583544.db2.gz XKKNIGBDRJDTJL-RYUDHWBXSA-N 2 2 280.372 0.684 20 0 CCADLP CCCCc1[nH]cc(CN2C[C@H]([NH3+])[C@@H](C(=O)OC)C2)[nH+]1 ZINC001236353785 806583549 /nfs/dbraw/zinc/58/35/49/806583549.db2.gz XKKNIGBDRJDTJL-RYUDHWBXSA-N 2 2 280.372 0.684 20 0 CCADLP CNC(=O)NC1CC[NH+](C[C@@H]2C[NH2+]C(C)(C)O2)CC1 ZINC001236466114 806590671 /nfs/dbraw/zinc/59/06/71/806590671.db2.gz WPFKOBNXJHOOJX-NSHDSACASA-N 2 2 270.377 0.104 20 0 CCADLP CCC1=NC2(CC[NH+](C[C@@H](C)[NH3+])CC2)C(=O)N1C ZINC001236537278 806593262 /nfs/dbraw/zinc/59/32/62/806593262.db2.gz UMSNKJHRFIUJAT-SNVBAGLBSA-N 2 2 252.362 0.449 20 0 CCADLP [NH3+]CC[NH+]1CCC(OCC(=O)N2CCCC2)CC1 ZINC001236848305 806614043 /nfs/dbraw/zinc/61/40/43/806614043.db2.gz PFESLLJBAANVEQ-UHFFFAOYSA-N 2 2 255.362 0.049 20 0 CCADLP C[NH+]1CCC(NC(=O)c2[nH]nc3c2C[N@H+](C)CC3)CC1 ZINC001278097976 806665687 /nfs/dbraw/zinc/66/56/87/806665687.db2.gz NRPREZODAXNNJF-UHFFFAOYSA-N 2 2 277.372 0.222 20 0 CCADLP C[NH+]1CCC(NC(=O)c2[nH]nc3c2C[N@@H+](C)CC3)CC1 ZINC001278097976 806665688 /nfs/dbraw/zinc/66/56/88/806665688.db2.gz NRPREZODAXNNJF-UHFFFAOYSA-N 2 2 277.372 0.222 20 0 CCADLP O[C@H](C[NH2+][C@@H]1Cc2c[nH+]cn2C1)C1(O)CCCC1 ZINC001120515954 798843935 /nfs/dbraw/zinc/84/39/35/798843935.db2.gz LVHQWKAWEYZKLU-ZYHUDNBSSA-N 2 2 251.330 0.063 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@@H]2[NH2+]CC23CCCC3)CC1 ZINC001121910937 799091175 /nfs/dbraw/zinc/09/11/75/799091175.db2.gz FHGUHEQEVQDTQP-AWEZNQCLSA-N 2 2 295.427 0.699 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC001121942712 799102949 /nfs/dbraw/zinc/10/29/49/799102949.db2.gz CCYCFXWDNIQTDE-NEPJUHHUSA-N 2 2 262.357 0.800 20 0 CCADLP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC001121995889 799116911 /nfs/dbraw/zinc/11/69/11/799116911.db2.gz YNAPDQFNKOZOKD-DGCLKSJQSA-N 2 2 265.357 0.531 20 0 CCADLP COCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001122314305 799195242 /nfs/dbraw/zinc/19/52/42/799195242.db2.gz YQGKPRSEYBRNPG-VXGBXAGGSA-N 2 2 266.345 0.281 20 0 CCADLP CC1(C)C[NH2+]C[C@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001122362517 799212247 /nfs/dbraw/zinc/21/22/47/799212247.db2.gz CPYOSVYRGFSAFJ-WDEREUQCSA-N 2 2 262.357 0.560 20 0 CCADLP CC[NH+]1CC2(C1)CC[C@H](C(=O)NC1CC[NH+](C)CC1)O2 ZINC001278159593 806730473 /nfs/dbraw/zinc/73/04/73/806730473.db2.gz RJUHEZPTAIJRHG-CYBMUJFWSA-N 2 2 281.400 0.450 20 0 CCADLP Cc1ncncc1C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001238162965 806763125 /nfs/dbraw/zinc/76/31/25/806763125.db2.gz DVBWXLIIRFEDIC-UHFFFAOYSA-N 2 2 263.389 0.464 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCCO ZINC001141311208 799999510 /nfs/dbraw/zinc/99/95/10/799999510.db2.gz BBPOBNJRPWLXCP-CHWSQXEVSA-N 2 2 269.389 0.044 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCCO ZINC001141311208 799999515 /nfs/dbraw/zinc/99/95/15/799999515.db2.gz BBPOBNJRPWLXCP-CHWSQXEVSA-N 2 2 269.389 0.044 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC001141311208 799999519 /nfs/dbraw/zinc/99/95/19/799999519.db2.gz BBPOBNJRPWLXCP-CHWSQXEVSA-N 2 2 269.389 0.044 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC001141311208 799999523 /nfs/dbraw/zinc/99/95/23/799999523.db2.gz BBPOBNJRPWLXCP-CHWSQXEVSA-N 2 2 269.389 0.044 20 0 CCADLP Cn1cc[nH+]c1CCNC(=O)C1CC[NH+](C)CC1 ZINC001143317186 800230191 /nfs/dbraw/zinc/23/01/91/800230191.db2.gz AKKKDRQJLRILGG-UHFFFAOYSA-N 2 2 250.346 0.421 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1C[N@H+](CC2CC2)CCCO1 ZINC001150371028 800331496 /nfs/dbraw/zinc/33/14/96/800331496.db2.gz FTDJQNAZKIIFFX-CQSZACIVSA-N 2 2 292.383 0.569 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1C[N@@H+](CC2CC2)CCCO1 ZINC001150371028 800331504 /nfs/dbraw/zinc/33/15/04/800331504.db2.gz FTDJQNAZKIIFFX-CQSZACIVSA-N 2 2 292.383 0.569 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1C[N@H+](CC2CC2)CCCO1 ZINC001150507146 800342849 /nfs/dbraw/zinc/34/28/49/800342849.db2.gz CTXNIGVASCLVBE-CYBMUJFWSA-N 2 2 292.383 0.569 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1C[N@@H+](CC2CC2)CCCO1 ZINC001150507146 800342855 /nfs/dbraw/zinc/34/28/55/800342855.db2.gz CTXNIGVASCLVBE-CYBMUJFWSA-N 2 2 292.383 0.569 20 0 CCADLP CC[N@@H+]1CCCO[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001150595912 800348491 /nfs/dbraw/zinc/34/84/91/800348491.db2.gz FQQZZNXVZWERDU-CYBMUJFWSA-N 2 2 280.372 0.190 20 0 CCADLP CC[N@H+]1CCCO[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001150595912 800348496 /nfs/dbraw/zinc/34/84/96/800348496.db2.gz FQQZZNXVZWERDU-CYBMUJFWSA-N 2 2 280.372 0.190 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)Cn2cc[nH+]c2C)[nH]1 ZINC001151121346 800401118 /nfs/dbraw/zinc/40/11/18/800401118.db2.gz FYFFDOJWQHDWDY-VIFPVBQESA-N 2 2 291.359 0.085 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CC1CCCC1 ZINC001153495349 800635589 /nfs/dbraw/zinc/63/55/89/800635589.db2.gz HNUSFNBTKJIYNM-UHFFFAOYSA-N 2 2 250.346 0.779 20 0 CCADLP CC/C=C/CC[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153496212 800635924 /nfs/dbraw/zinc/63/59/24/800635924.db2.gz WFQLDVXIXMNSEK-ONEGZZNKSA-N 2 2 250.346 0.945 20 0 CCADLP [NH3+][C@H]1COC[C@H]1Nc1cccc(N2CCOCC2)[nH+]1 ZINC001155354036 800957493 /nfs/dbraw/zinc/95/74/93/800957493.db2.gz ZMROQAJZGNFADY-WDEREUQCSA-N 2 2 264.329 0.056 20 0 CCADLP CC[N@H+](CCCOC)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155469799 800983233 /nfs/dbraw/zinc/98/32/33/800983233.db2.gz HWLMHIOQLHVLRO-GFCCVEGCSA-N 2 2 282.388 0.815 20 0 CCADLP CC[N@@H+](CCCOC)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155469799 800983236 /nfs/dbraw/zinc/98/32/36/800983236.db2.gz HWLMHIOQLHVLRO-GFCCVEGCSA-N 2 2 282.388 0.815 20 0 CCADLP Nc1[nH+]c(NC[C@]23C[NH2+]C[C@H]2COC3)ccc1Cl ZINC001155515399 800996134 /nfs/dbraw/zinc/99/61/34/800996134.db2.gz WOWHRVPTXGWENB-UFBFGSQYSA-N 2 2 268.748 0.965 20 0 CCADLP Cc1nc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)cc(C(C)C)[nH+]1 ZINC001155571136 801009623 /nfs/dbraw/zinc/00/96/23/801009623.db2.gz RWGDVDGVSONLEP-RISCZKNCSA-N 2 2 275.356 0.898 20 0 CCADLP Cc1nc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)cc(C(C)C)[nH+]1 ZINC001155571128 801009873 /nfs/dbraw/zinc/00/98/73/801009873.db2.gz RWGDVDGVSONLEP-BXUZGUMPSA-N 2 2 275.356 0.898 20 0 CCADLP CC[N@H+](CCCO)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156011603 801092475 /nfs/dbraw/zinc/09/24/75/801092475.db2.gz NICUTPBWDGBATK-LLVKDONJSA-N 2 2 268.361 0.161 20 0 CCADLP CC[N@@H+](CCCO)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156011603 801092481 /nfs/dbraw/zinc/09/24/81/801092481.db2.gz NICUTPBWDGBATK-LLVKDONJSA-N 2 2 268.361 0.161 20 0 CCADLP CCCCCOC(=O)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239334929 806888679 /nfs/dbraw/zinc/88/86/79/806888679.db2.gz UVAZZLCWOFWXNZ-UHFFFAOYSA-N 2 2 286.420 0.398 20 0 CCADLP c1cnnc(CNc2ccc(N3CC[NH2+]CC3)c[nH+]2)c1 ZINC001156603314 801195152 /nfs/dbraw/zinc/19/51/52/801195152.db2.gz GBIJDEOVKFCVFM-UHFFFAOYSA-N 2 2 270.340 0.893 20 0 CCADLP CC(C)OCC[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157264809 801335640 /nfs/dbraw/zinc/33/56/40/801335640.db2.gz LOWNQOHQJJTJPJ-UHFFFAOYSA-N 2 2 282.388 0.863 20 0 CCADLP CC(=N)N(Cc1cccc(C[NH3+])c1)C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001157413734 801373754 /nfs/dbraw/zinc/37/37/54/801373754.db2.gz MPZIWGALBHNRCZ-KGLIPLIRSA-N 3 2 289.383 0.160 20 0 CCADLP Cc1cc(N(C(N)=[NH2+])C(=O)[C@@H]([NH3+])CC2CCC2)n[nH]1 ZINC001157439880 801382007 /nfs/dbraw/zinc/38/20/07/801382007.db2.gz OPIWJEJCMHXZPI-VIFPVBQESA-N 2 2 264.333 0.462 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH]c3ncccc23)CC1 ZINC001157450453 801386366 /nfs/dbraw/zinc/38/63/66/801386366.db2.gz BRAHUQIBADNYHG-ZDUSSCGKSA-N 2 2 287.367 0.207 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]([NH3+])Cc2cccc(O)c2)CC1 ZINC001157451597 801388162 /nfs/dbraw/zinc/38/81/62/801388162.db2.gz ZECWUWIMUBDYII-ZDUSSCGKSA-N 2 2 263.341 0.036 20 0 CCADLP COc1ccccc1[C@H]1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C1 ZINC001157580030 801425038 /nfs/dbraw/zinc/42/50/38/801425038.db2.gz WLHCDNRHACXEEW-SCRDCRAPSA-N 2 2 289.379 0.700 20 0 CCADLP C[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001157702664 801457962 /nfs/dbraw/zinc/45/79/62/801457962.db2.gz BMGABHBYNHLHNX-QKCSRTOESA-N 2 2 259.353 0.822 20 0 CCADLP [NH3+]C[C@@]1(F)CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001157730249 801465272 /nfs/dbraw/zinc/46/52/72/801465272.db2.gz KYGJEEDPUIQHGT-GFCCVEGCSA-N 2 2 254.309 0.632 20 0 CCADLP CCOCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001278301867 806916227 /nfs/dbraw/zinc/91/62/27/806916227.db2.gz QCKNXZPIOHTCFY-WCQYABFASA-N 2 2 280.372 0.568 20 0 CCADLP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001157846335 801501019 /nfs/dbraw/zinc/50/10/19/801501019.db2.gz GZTLXRPJVKMUSV-BYCMXARLSA-N 3 2 290.411 0.845 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cc(Cl)ncn2)CC1 ZINC001157910946 801517008 /nfs/dbraw/zinc/51/70/08/801517008.db2.gz USUHXMJKAYVMEO-UHFFFAOYSA-N 2 2 254.725 0.724 20 0 CCADLP COc1cc(C)cc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001157914864 801519478 /nfs/dbraw/zinc/51/94/78/801519478.db2.gz NQHMYTLRFPCRGI-UHFFFAOYSA-N 2 2 263.345 0.993 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cc(-n3ccnc3)ccn2)CC1 ZINC001157915691 801520393 /nfs/dbraw/zinc/52/03/93/801520393.db2.gz GBDRFPCLYCMWQL-UHFFFAOYSA-N 2 2 285.355 0.861 20 0 CCADLP O=C(N1CC[NH2+]C[C@H]1c1ccccc1)C1(F)C[NH2+]C1 ZINC001157959468 801540900 /nfs/dbraw/zinc/54/09/00/801540900.db2.gz CQZPHPSMENCQBS-LBPRGKRZSA-N 2 2 263.316 0.471 20 0 CCADLP C[NH+]1CCN(c2cccc(NCCC(N)=O)[nH+]2)CC1 ZINC001158106779 801572540 /nfs/dbraw/zinc/57/25/40/801572540.db2.gz DAZWZMGBDWYUQB-UHFFFAOYSA-N 2 2 263.345 0.121 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cnc2cccnc2n1 ZINC001158203520 801591190 /nfs/dbraw/zinc/59/11/90/801591190.db2.gz CDBGSPJDSQGDGC-SECBINFHSA-N 2 2 270.296 0.073 20 0 CCADLP Cc1nc(C)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c(Cl)n1 ZINC001158203531 801591498 /nfs/dbraw/zinc/59/14/98/801591498.db2.gz CSKXFYCGSOKNAJ-SECBINFHSA-N 2 2 281.747 0.795 20 0 CCADLP COC(=O)c1cc(C)nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1 ZINC001158203447 801591966 /nfs/dbraw/zinc/59/19/66/801591966.db2.gz MZYOKHROMSIUGE-LLVKDONJSA-N 2 2 290.323 0.224 20 0 CCADLP Cc1ccc(F)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158204235 801593042 /nfs/dbraw/zinc/59/30/42/801593042.db2.gz OKLBRRULNFRKSO-SECBINFHSA-N 2 2 250.277 0.577 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cncc(N2CCCC2)n1 ZINC001158206421 801594826 /nfs/dbraw/zinc/59/48/26/801594826.db2.gz NSJRWNSQJFXTMH-LLVKDONJSA-N 2 2 288.355 0.125 20 0 CCADLP NC(=O)c1ccnc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)c1 ZINC001158258672 801609104 /nfs/dbraw/zinc/60/91/04/801609104.db2.gz GETNSPGPKUIHJB-LBPRGKRZSA-N 2 2 289.383 0.182 20 0 CCADLP NC(=O)c1ccnc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)c1 ZINC001158258672 801609107 /nfs/dbraw/zinc/60/91/07/801609107.db2.gz GETNSPGPKUIHJB-LBPRGKRZSA-N 2 2 289.383 0.182 20 0 CCADLP CC[NH2+]CCCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001158471044 801656385 /nfs/dbraw/zinc/65/63/85/801656385.db2.gz HGTKXVBLIBJFSY-ZDUSSCGKSA-N 2 2 279.388 0.906 20 0 CCADLP CC[NH2+]CCCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001158471044 801656389 /nfs/dbraw/zinc/65/63/89/801656389.db2.gz HGTKXVBLIBJFSY-ZDUSSCGKSA-N 2 2 279.388 0.906 20 0 CCADLP CC(C)OCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1C ZINC001278308364 806925794 /nfs/dbraw/zinc/92/57/94/806925794.db2.gz NMBFWSPBYCFRGC-CHWSQXEVSA-N 2 2 294.399 0.956 20 0 CCADLP CO[C@@H]1CN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)C[C@@H]1[NH3+] ZINC001158713168 801692350 /nfs/dbraw/zinc/69/23/50/801692350.db2.gz WVSHATOXWCALCB-FRRDWIJNSA-N 2 2 291.399 0.875 20 0 CCADLP CCCc1cc(N2C[C@@H]([NH3+])C3(COC3)C2)nc(C)[nH+]1 ZINC001158765748 801702226 /nfs/dbraw/zinc/70/22/26/801702226.db2.gz JYNYMSDULPVGGU-GFCCVEGCSA-N 2 2 262.357 0.901 20 0 CCADLP c1cc(NC[C@H]2COCC[NH2+]2)[nH+]c(N2CCOCC2)c1 ZINC001159043959 801747900 /nfs/dbraw/zinc/74/79/00/801747900.db2.gz LBLNJRPMCDVEDN-LBPRGKRZSA-N 2 2 278.356 0.319 20 0 CCADLP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2cc(N(C)C)nc[nH+]2)O1 ZINC001159239421 801778924 /nfs/dbraw/zinc/77/89/24/801778924.db2.gz YYGLZUYMCFNCMX-GYSYKLTISA-N 2 2 295.387 0.679 20 0 CCADLP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2cc(N(C)C)[nH+]cn2)O1 ZINC001159239421 801778930 /nfs/dbraw/zinc/77/89/30/801778930.db2.gz YYGLZUYMCFNCMX-GYSYKLTISA-N 2 2 295.387 0.679 20 0 CCADLP CC(=O)N1CC(Nc2cccc(N3CC[NH+](C)CC3)[nH+]2)C1 ZINC001159932287 801892542 /nfs/dbraw/zinc/89/25/42/801892542.db2.gz RMPYVJBFYAGCLI-UHFFFAOYSA-N 2 2 289.383 0.476 20 0 CCADLP CC(C)([NH3+])CNc1cc(N2CCC[C@@H]2C(N)=O)[nH+]cn1 ZINC001160032317 801901452 /nfs/dbraw/zinc/90/14/52/801901452.db2.gz RSVWNDYMYKNQSP-SECBINFHSA-N 2 2 278.360 0.080 20 0 CCADLP CCOC(=O)[C@H]1CCCCN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001160582282 801975770 /nfs/dbraw/zinc/97/57/70/801975770.db2.gz LTXGCLSHXQGIRV-BLTAXRJOSA-N 2 2 295.383 0.152 20 0 CCADLP [NH3+]CCC[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)C(=O)[O-] ZINC001160598081 801980433 /nfs/dbraw/zinc/98/04/33/801980433.db2.gz UPVUCVZVLWBBQR-LBPRGKRZSA-N 2 2 293.371 0.095 20 0 CCADLP COC(=O)[C@@]1(C)CCCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001160635532 801984348 /nfs/dbraw/zinc/98/43/48/801984348.db2.gz KJGAWOFNRVFIBN-FIXIBIHLSA-N 2 2 295.383 0.010 20 0 CCADLP CC(C)[C@@H]1COCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001160669455 801995501 /nfs/dbraw/zinc/99/55/01/801995501.db2.gz FISHCMXNMQNNCA-RYUDHWBXSA-N 2 2 266.345 0.163 20 0 CCADLP CN(C[C@@H]1CC1(C)C)C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001160712500 802008819 /nfs/dbraw/zinc/00/88/19/802008819.db2.gz YLFNVWVJWFYHOE-FIQHERPVSA-N 2 2 251.374 0.441 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCO[C@@H](Cc2ccccc2)C1 ZINC001160876220 802039033 /nfs/dbraw/zinc/03/90/33/802039033.db2.gz UIBPSSDCMXFPPU-KKUMJFAQSA-N 2 2 289.379 0.003 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@@H]1c1ccccn1 ZINC001160935439 802049950 /nfs/dbraw/zinc/04/99/50/802049950.db2.gz OIDQBWQKGGPWDK-GMXVVIOVSA-N 2 2 260.341 0.292 20 0 CCADLP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)C2([NH3+])CC[NH2+]CC2)C1 ZINC001161050482 802077837 /nfs/dbraw/zinc/07/78/37/802077837.db2.gz NPESHQOMQBSZEO-GFCCVEGCSA-N 3 2 268.405 0.008 20 0 CCADLP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)C2([NH3+])CC[NH2+]CC2)C1 ZINC001161050482 802077841 /nfs/dbraw/zinc/07/78/41/802077841.db2.gz NPESHQOMQBSZEO-GFCCVEGCSA-N 3 2 268.405 0.008 20 0 CCADLP CO[C@@H](C)C[NH2+]CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001161308708 802124087 /nfs/dbraw/zinc/12/40/87/802124087.db2.gz DILALHUHNOBLSJ-STQMWFEESA-N 2 2 294.399 0.576 20 0 CCADLP COCCC[NH2+]CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001161310817 802124109 /nfs/dbraw/zinc/12/41/09/802124109.db2.gz ZCUTZHOWZNCSSE-ZDUSSCGKSA-N 2 2 294.399 0.578 20 0 CCADLP Cc1ccn2cc(CN(C)C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)nc2c1 ZINC001161531231 802170602 /nfs/dbraw/zinc/17/06/02/802170602.db2.gz DCDOUUAWLANIEL-YPMHNXCESA-N 2 2 287.367 0.290 20 0 CCADLP CO[C@@H]1CCN(C(=O)C2([NH3+])CC[NH2+]CC2)[C@H](C)C1 ZINC001161535010 802172238 /nfs/dbraw/zinc/17/22/38/802172238.db2.gz YWCFMYHYIQJITB-GHMZBOCLSA-N 2 2 255.362 0.093 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC1=CC[N@H+](CCO)CC1 ZINC001161559377 802182471 /nfs/dbraw/zinc/18/24/71/802182471.db2.gz CFVRWLSKGCXGDL-UHFFFAOYSA-N 2 2 278.356 0.083 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC1=CC[N@@H+](CCO)CC1 ZINC001161559377 802182476 /nfs/dbraw/zinc/18/24/76/802182476.db2.gz CFVRWLSKGCXGDL-UHFFFAOYSA-N 2 2 278.356 0.083 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC001253204847 808029011 /nfs/dbraw/zinc/02/90/11/808029011.db2.gz WWBOEERLHRAQPE-UONOGXRCSA-N 3 2 257.422 0.763 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001253204847 808029018 /nfs/dbraw/zinc/02/90/18/808029018.db2.gz WWBOEERLHRAQPE-UONOGXRCSA-N 3 2 257.422 0.763 20 0 CCADLP CCN(C)c1cc(NC[C@]23C[NH2+]C[C@H]2COC3)[nH+]cn1 ZINC001163154140 802496341 /nfs/dbraw/zinc/49/63/41/802496341.db2.gz SJQCGTQEWPKTPE-FZMZJTMJSA-N 2 2 277.372 0.581 20 0 CCADLP CCN(C)c1cc(NC[C@]23C[NH2+]C[C@H]2COC3)nc[nH+]1 ZINC001163154140 802496343 /nfs/dbraw/zinc/49/63/43/802496343.db2.gz SJQCGTQEWPKTPE-FZMZJTMJSA-N 2 2 277.372 0.581 20 0 CCADLP C/C=C(\NC=[NH2+])[NH2+]C[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163269391 802526217 /nfs/dbraw/zinc/52/62/17/802526217.db2.gz KAXSOOJOHXFLDU-WLOLLHGVSA-N 3 2 252.362 0.793 20 0 CCADLP C[N@@H+]1CCc2ncnc(N[C@H]3C[NH+]4CCC3CC4)c2C1 ZINC001163387750 802549660 /nfs/dbraw/zinc/54/96/60/802549660.db2.gz FUKFLPBIWKEDGS-AWEZNQCLSA-N 2 2 273.384 0.971 20 0 CCADLP C[N@H+]1CCc2ncnc(N[C@H]3C[NH+]4CCC3CC4)c2C1 ZINC001163387750 802549665 /nfs/dbraw/zinc/54/96/65/802549665.db2.gz FUKFLPBIWKEDGS-AWEZNQCLSA-N 2 2 273.384 0.971 20 0 CCADLP CNC(=O)[C@H](CCCC[NH3+])Nc1[nH+]c(C)nc2[nH]ccc21 ZINC001163438824 802556925 /nfs/dbraw/zinc/55/69/25/802556925.db2.gz OTMVSCSOZMJXAP-NSHDSACASA-N 2 2 290.371 0.922 20 0 CCADLP C[NH+]1CCN(c2cccc(N3C[C@@H](O)[C@@H](F)C3)[nH+]2)CC1 ZINC001164105312 802668100 /nfs/dbraw/zinc/66/81/00/802668100.db2.gz DDZGLWFSWWWLPB-NWDGAFQWSA-N 2 2 280.347 0.352 20 0 CCADLP COc1cnc(NCC2([NH+](C)C)CC[NH+](C)CC2)nc1 ZINC001164206944 802687205 /nfs/dbraw/zinc/68/72/05/802687205.db2.gz MEPQUQFMMKKNPM-UHFFFAOYSA-N 2 2 279.388 0.923 20 0 CCADLP C[NH+](C)C1(CNc2cncn3cnnc23)CC[NH+](C)CC1 ZINC001164217548 802690318 /nfs/dbraw/zinc/69/03/18/802690318.db2.gz WRERRWUMTPMRKS-UHFFFAOYSA-N 2 2 289.387 0.562 20 0 CCADLP Cc1[nH+]cn(-c2ccc(N3CC[C@@H]([NH3+])C3)nn2)c1C ZINC001164280994 802704066 /nfs/dbraw/zinc/70/40/66/802704066.db2.gz OIMQCDBVUNPLES-LLVKDONJSA-N 2 2 258.329 0.817 20 0 CCADLP CC[NH2+]CCN(CCO)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001279718316 809995311 /nfs/dbraw/zinc/99/53/11/809995311.db2.gz VGZSWCIKDLCRCH-UHFFFAOYSA-N 2 2 290.367 0.687 20 0 CCADLP C[NH+]1CCN(c2cccc(N3CCOC[C@@H](O)C3)[nH+]2)CC1 ZINC001164511894 802754146 /nfs/dbraw/zinc/75/41/46/802754146.db2.gz OWTZZMVOQWOBET-ZDUSSCGKSA-N 2 2 292.383 0.031 20 0 CCADLP CC1([NH+]2CCOCC2)CCN(c2cc(N)[nH+]cn2)CC1 ZINC001165133787 802786198 /nfs/dbraw/zinc/78/61/98/802786198.db2.gz HFQUNBIQWJROFR-UHFFFAOYSA-N 2 2 277.372 0.750 20 0 CCADLP Cc1nc(N2CCNC(=O)C23C[NH2+]C3)cc(C(C)C)[nH+]1 ZINC001165298037 802817359 /nfs/dbraw/zinc/81/73/59/802817359.db2.gz PEFPXILGHGASGQ-UHFFFAOYSA-N 2 2 275.356 0.187 20 0 CCADLP Nc1cc(N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)[nH+]cn1 ZINC001165433611 802838643 /nfs/dbraw/zinc/83/86/43/802838643.db2.gz OQMCDTNLRHHLJM-RKDXNWHRSA-N 2 2 251.309 0.572 20 0 CCADLP COC[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001166402215 802905053 /nfs/dbraw/zinc/90/50/53/802905053.db2.gz LWWSECLBGUJKFV-NEPJUHHUSA-N 2 2 294.399 0.960 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1cc(-n2cc[nH+]c2)ccn1 ZINC001166967170 803000749 /nfs/dbraw/zinc/00/07/49/803000749.db2.gz CCSJQMZQTPRTDX-PWSUYJOCSA-N 2 2 287.323 0.346 20 0 CCADLP COCC[NH2+][C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001203803704 803046151 /nfs/dbraw/zinc/04/61/51/803046151.db2.gz OFJZIAQOSDLUFM-OLZOCXBDSA-N 2 2 292.383 0.547 20 0 CCADLP COCCOC[N@@H+]1CCC2(C1)CCN(CC[NH+](C)C)CC2 ZINC001276463334 803084401 /nfs/dbraw/zinc/08/44/01/803084401.db2.gz KJPNOBSWPLZUNY-UHFFFAOYSA-N 2 2 299.459 0.956 20 0 CCADLP COCCOC[N@H+]1CCC2(C1)CCN(CC[NH+](C)C)CC2 ZINC001276463334 803084406 /nfs/dbraw/zinc/08/44/06/803084406.db2.gz KJPNOBSWPLZUNY-UHFFFAOYSA-N 2 2 299.459 0.956 20 0 CCADLP C[C@H](NC(=O)Cn1cc[nH+]c1)C1C[NH+](CCCF)C1 ZINC001276468995 803085963 /nfs/dbraw/zinc/08/59/63/803085963.db2.gz QEMQAHUICAGWCC-NSHDSACASA-N 2 2 268.336 0.679 20 0 CCADLP CSc1ncc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(N)n1 ZINC001205140915 803120745 /nfs/dbraw/zinc/12/07/45/803120745.db2.gz RODJILDDJAOBIE-DTWKUNHWSA-N 2 2 267.402 0.807 20 0 CCADLP CSc1ncc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(N)n1 ZINC001205140915 803120748 /nfs/dbraw/zinc/12/07/48/803120748.db2.gz RODJILDDJAOBIE-DTWKUNHWSA-N 2 2 267.402 0.807 20 0 CCADLP c1ccc(N2CC[NH2+]CC2)c(C[N@@H+]2CCC[NH2+]CC2)c1 ZINC000084857468 803140885 /nfs/dbraw/zinc/14/08/85/803140885.db2.gz CVWWLPYZPWZHBO-UHFFFAOYSA-N 3 2 274.412 0.892 20 0 CCADLP c1ccc(N2CC[NH2+]CC2)c(C[N@H+]2CCC[NH2+]CC2)c1 ZINC000084857468 803140895 /nfs/dbraw/zinc/14/08/95/803140895.db2.gz CVWWLPYZPWZHBO-UHFFFAOYSA-N 3 2 274.412 0.892 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CCC(C[NH2+]CCCO)CC1 ZINC001205433283 803141526 /nfs/dbraw/zinc/14/15/26/803141526.db2.gz SENPNVIOVVNBQB-UHFFFAOYSA-N 2 2 294.399 0.553 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CCC(C[NH2+]CCCO)CC1 ZINC001205433283 803141530 /nfs/dbraw/zinc/14/15/30/803141530.db2.gz SENPNVIOVVNBQB-UHFFFAOYSA-N 2 2 294.399 0.553 20 0 CCADLP Cn1c(C[N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cccc1=O ZINC001205796824 803175620 /nfs/dbraw/zinc/17/56/20/803175620.db2.gz UHDJUAUTANXBFA-SNVBAGLBSA-N 2 2 271.311 0.801 20 0 CCADLP Cn1c(C[N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)cccc1=O ZINC001205796824 803175621 /nfs/dbraw/zinc/17/56/21/803175621.db2.gz UHDJUAUTANXBFA-SNVBAGLBSA-N 2 2 271.311 0.801 20 0 CCADLP C[C@]1(C[NH3+])CCC[N@H+](Cc2cnc3n2CC[NH2+]C3)CC1 ZINC001206337940 803230963 /nfs/dbraw/zinc/23/09/63/803230963.db2.gz XBKKIHKNLTVVCG-HNNXBMFYSA-N 3 2 277.416 0.937 20 0 CCADLP C[C@]1(C[NH3+])CCC[N@@H+](Cc2cnc3n2CC[NH2+]C3)CC1 ZINC001206337940 803230967 /nfs/dbraw/zinc/23/09/67/803230967.db2.gz XBKKIHKNLTVVCG-HNNXBMFYSA-N 3 2 277.416 0.937 20 0 CCADLP COC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206919356 803307540 /nfs/dbraw/zinc/30/75/40/803307540.db2.gz QOISJXHNNPIXTI-JHJVBQTASA-N 2 2 294.399 0.814 20 0 CCADLP COC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206919356 803307549 /nfs/dbraw/zinc/30/75/49/803307549.db2.gz QOISJXHNNPIXTI-JHJVBQTASA-N 2 2 294.399 0.814 20 0 CCADLP CCOC(=O)C[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001207416019 803396848 /nfs/dbraw/zinc/39/68/48/803396848.db2.gz QRVRGNFZQOZUGH-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CCOC(=O)C[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001207416019 803396858 /nfs/dbraw/zinc/39/68/58/803396858.db2.gz QRVRGNFZQOZUGH-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001207924621 803467881 /nfs/dbraw/zinc/46/78/81/803467881.db2.gz PBIPRJCITOSSAT-CHWSQXEVSA-N 2 2 294.399 0.958 20 0 CCADLP C[NH+](C)CCN1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001208127095 803492833 /nfs/dbraw/zinc/49/28/33/803492833.db2.gz KPTWJXJJKDPDIY-UHFFFAOYSA-N 2 2 289.387 0.290 20 0 CCADLP CN(C)C(=O)C[NH+]1CCC2(CCCN2CC[NH+](C)C)CC1 ZINC001208127187 803493088 /nfs/dbraw/zinc/49/30/88/803493088.db2.gz TTXJWHZTUQHLAI-UHFFFAOYSA-N 2 2 296.459 0.567 20 0 CCADLP COC(=O)[C@H]1C[N@H+](CC2(C[NH+](C)C)CCCC2)CCN1C ZINC001208186988 803496740 /nfs/dbraw/zinc/49/67/40/803496740.db2.gz DVWNLRHYUCDKDO-CQSZACIVSA-N 2 2 297.443 0.897 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](CC2(C[NH+](C)C)CCCC2)CCN1C ZINC001208186988 803496744 /nfs/dbraw/zinc/49/67/44/803496744.db2.gz DVWNLRHYUCDKDO-CQSZACIVSA-N 2 2 297.443 0.897 20 0 CCADLP CCOC(=O)CC[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001209036517 803567591 /nfs/dbraw/zinc/56/75/91/803567591.db2.gz UMOUDPJRJWLHSG-QWHCGFSZSA-N 2 2 270.373 0.592 20 0 CCADLP CCOC(=O)CC[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001209036517 803567594 /nfs/dbraw/zinc/56/75/94/803567594.db2.gz UMOUDPJRJWLHSG-QWHCGFSZSA-N 2 2 270.373 0.592 20 0 CCADLP CCOC(=O)CC[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001209036517 803567597 /nfs/dbraw/zinc/56/75/97/803567597.db2.gz UMOUDPJRJWLHSG-QWHCGFSZSA-N 2 2 270.373 0.592 20 0 CCADLP CCOC(=O)CC[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001209036517 803567600 /nfs/dbraw/zinc/56/76/00/803567600.db2.gz UMOUDPJRJWLHSG-QWHCGFSZSA-N 2 2 270.373 0.592 20 0 CCADLP C[N@H+](C1CC1)[C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC001209293991 803589574 /nfs/dbraw/zinc/58/95/74/803589574.db2.gz SOHXJVIQLVHMNX-AWEZNQCLSA-N 2 2 253.390 0.487 20 0 CCADLP C[N@@H+](C1CC1)[C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC001209293991 803589576 /nfs/dbraw/zinc/58/95/76/803589576.db2.gz SOHXJVIQLVHMNX-AWEZNQCLSA-N 2 2 253.390 0.487 20 0 CCADLP C[NH+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2csnn2)C1 ZINC001209446743 803603829 /nfs/dbraw/zinc/60/38/29/803603829.db2.gz URHVAWYCWBWWTM-NSHDSACASA-N 2 2 297.428 0.570 20 0 CCADLP CN1[C@H]2COC[C@@H]1C[N@H+](CC(C)(C)C[NH+](C)C)C2 ZINC001276657726 803617551 /nfs/dbraw/zinc/61/75/51/803617551.db2.gz BDMBXZDNEIEVAM-BETUJISGSA-N 2 2 255.406 0.589 20 0 CCADLP CN1[C@H]2COC[C@@H]1C[N@@H+](CC(C)(C)C[NH+](C)C)C2 ZINC001276657726 803617556 /nfs/dbraw/zinc/61/75/56/803617556.db2.gz BDMBXZDNEIEVAM-BETUJISGSA-N 2 2 255.406 0.589 20 0 CCADLP CN(CCN1CC[NH+](C)CC1)Cc1c[nH+]ccc1N ZINC001209731032 803625262 /nfs/dbraw/zinc/62/52/62/803625262.db2.gz MWWXGSGPYUAERJ-UHFFFAOYSA-N 2 2 263.389 0.173 20 0 CCADLP Nc1cc[nH+]cc1C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC001209734222 803627097 /nfs/dbraw/zinc/62/70/97/803627097.db2.gz OLNPRIISRCKHPF-UHFFFAOYSA-N 2 2 274.368 0.985 20 0 CCADLP CC[C@@H](C[NH2+][C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1)OC ZINC001210305218 803646947 /nfs/dbraw/zinc/64/69/47/803646947.db2.gz URWVCEIWBBVJDB-STQMWFEESA-N 2 2 294.399 0.958 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404270530 803850478 /nfs/dbraw/zinc/85/04/78/803850478.db2.gz KGQHVPOWLBXCTG-ILXRZTDVSA-N 3 2 287.448 0.375 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404270530 803850488 /nfs/dbraw/zinc/85/04/88/803850488.db2.gz KGQHVPOWLBXCTG-ILXRZTDVSA-N 3 2 287.448 0.375 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404270530 803850496 /nfs/dbraw/zinc/85/04/96/803850496.db2.gz KGQHVPOWLBXCTG-ILXRZTDVSA-N 3 2 287.448 0.375 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404270530 803850504 /nfs/dbraw/zinc/85/05/04/803850504.db2.gz KGQHVPOWLBXCTG-ILXRZTDVSA-N 3 2 287.448 0.375 20 0 CCADLP CCOc1ccc(-c2nnc(C[C@@H]([NH3+])C[NH3+])o2)cc1 ZINC001217724544 803905987 /nfs/dbraw/zinc/90/59/87/803905987.db2.gz QYDFEFYGKUDCJX-SNVBAGLBSA-N 2 2 262.313 0.964 20 0 CCADLP [NH3+]C[C@H]([NH3+])Cc1nnc(Cc2ccc(F)cc2)o1 ZINC001217724859 803906856 /nfs/dbraw/zinc/90/68/56/803906856.db2.gz VHYXDLMAMZVTMB-SNVBAGLBSA-N 2 2 250.277 0.628 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OC[C@@H]2C[C@H]3CC[NH2+]C[C@@H]3O2)C[N@@H+]1C ZINC001217887692 803924380 /nfs/dbraw/zinc/92/43/80/803924380.db2.gz JFHRHFPLJXXFSB-DGTMBMJNSA-N 2 2 298.383 0.016 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OC[C@@H]2C[C@H]3CC[NH2+]C[C@@H]3O2)C[N@H+]1C ZINC001217887692 803924385 /nfs/dbraw/zinc/92/43/85/803924385.db2.gz JFHRHFPLJXXFSB-DGTMBMJNSA-N 2 2 298.383 0.016 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OC[C@@H]2CCC[NH2+]C2)C[N@@H+]1C ZINC001217887589 803924580 /nfs/dbraw/zinc/92/45/80/803924580.db2.gz HMQCVMGQJZHPRG-UTUOFQBUSA-N 2 2 256.346 0.248 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OC[C@@H]2CCC[NH2+]C2)C[N@H+]1C ZINC001217887589 803924584 /nfs/dbraw/zinc/92/45/84/803924584.db2.gz HMQCVMGQJZHPRG-UTUOFQBUSA-N 2 2 256.346 0.248 20 0 CCADLP CCc1nc2c(c(OCC[N@@H+]3CC[C@@H](OC)C3)n1)C[NH2+]C2 ZINC001218391313 803953733 /nfs/dbraw/zinc/95/37/33/803953733.db2.gz UINXTOHNIPTIDY-LLVKDONJSA-N 2 2 292.383 0.742 20 0 CCADLP CCc1nc2c(c(OCC[N@H+]3CC[C@@H](OC)C3)n1)C[NH2+]C2 ZINC001218391313 803953741 /nfs/dbraw/zinc/95/37/41/803953741.db2.gz UINXTOHNIPTIDY-LLVKDONJSA-N 2 2 292.383 0.742 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cc(C3CCCC3)no2)C1 ZINC001218506792 803973041 /nfs/dbraw/zinc/97/30/41/803973041.db2.gz BMFPXXHBHLCFJF-KOLCDFICSA-N 2 2 264.329 0.960 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1[nH]nc2cccnc21 ZINC001218524116 803985940 /nfs/dbraw/zinc/98/59/40/803985940.db2.gz UZQTUNIAHMWWSN-QMMMGPOBSA-N 2 2 271.284 0.190 20 0 CCADLP COc1cncc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)c1C ZINC001218561313 804007558 /nfs/dbraw/zinc/00/75/58/804007558.db2.gz FQYJLUUCOUFYIP-RULNRJAQSA-N 2 2 276.340 0.559 20 0 CCADLP [NH3+]C1(C(=O)Nc2cnc3ccc(Cl)nn23)CC[NH2+]CC1 ZINC001218567139 804011917 /nfs/dbraw/zinc/01/19/17/804011917.db2.gz BLMVCIALMFBTSN-UHFFFAOYSA-N 2 2 294.746 0.402 20 0 CCADLP Cc1nc(Cl)c(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c(Cl)n1 ZINC001218595093 804028487 /nfs/dbraw/zinc/02/84/87/804028487.db2.gz LTEVFSKHXZBJMI-WDSKDSINSA-N 2 2 290.154 0.577 20 0 CCADLP [NH3+]C1(C(=O)Nc2cc(-c3ccncc3)no2)CC[NH2+]CC1 ZINC001218626782 804042817 /nfs/dbraw/zinc/04/28/17/804042817.db2.gz LTQUEISHDFVVDF-UHFFFAOYSA-N 2 2 287.323 0.756 20 0 CCADLP COc1ccc2ncc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc2c1 ZINC001218629445 804045868 /nfs/dbraw/zinc/04/58/68/804045868.db2.gz XXBKYZYZAYUPKV-LBPRGKRZSA-N 2 2 274.324 0.858 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2c[nH]c(Cl)cc2=O)C1 ZINC001218632089 804048170 /nfs/dbraw/zinc/04/81/70/804048170.db2.gz OPHOVNMVELVLME-RITPCOANSA-N 2 2 256.693 0.068 20 0 CCADLP COc1nc(Cl)ccc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218676906 804077486 /nfs/dbraw/zinc/07/74/86/804077486.db2.gz POJRLQCIFWVCJQ-BQBZGAKWSA-N 2 2 270.720 0.229 20 0 CCADLP Cc1cc(NC(=O)C2([NH3+])CC[NH2+]CC2)n(CCF)n1 ZINC001218743952 804106676 /nfs/dbraw/zinc/10/66/76/804106676.db2.gz PHWVQEASPPWAQU-UHFFFAOYSA-N 2 2 269.324 0.180 20 0 CCADLP CN(C)c1ccccc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001218835063 804137556 /nfs/dbraw/zinc/13/75/56/804137556.db2.gz RXFLUCBIELDQLI-LBPRGKRZSA-N 2 2 287.367 0.995 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccccc1CN1CCOCC1 ZINC001218848345 804138442 /nfs/dbraw/zinc/13/84/42/804138442.db2.gz VMWKCDGRABGHTA-ZDUSSCGKSA-N 2 2 292.383 0.133 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cccc2c1cc[nH]c2=O ZINC001218901197 804151043 /nfs/dbraw/zinc/15/10/43/804151043.db2.gz BRHNCMJMRWWFNB-JTQLQIEISA-N 2 2 260.297 0.555 20 0 CCADLP Cc1cccc(N)c1NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001218913850 804155661 /nfs/dbraw/zinc/15/56/61/804155661.db2.gz ZNMCZWABEBHBKW-LBPRGKRZSA-N 2 2 273.340 0.819 20 0 CCADLP Cc1ccc(CCCO)c(NC(=O)C2([NH3+])CC[NH2+]CC2)c1 ZINC001219103531 804200473 /nfs/dbraw/zinc/20/04/73/804200473.db2.gz IWRFKYQKRIEGSC-UHFFFAOYSA-N 2 2 291.395 0.939 20 0 CCADLP C[C@@H](OC(C)(C)C)[C@@H]([NH3+])C(=O)NCCn1cc[nH+]c1 ZINC001219563629 804349837 /nfs/dbraw/zinc/34/98/37/804349837.db2.gz DSKWJLROMSEEMD-GHMZBOCLSA-N 2 2 268.361 0.530 20 0 CCADLP O=C(NCCn1cc[nH+]c1)[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001219563929 804352924 /nfs/dbraw/zinc/35/29/24/804352924.db2.gz NQWJVJGTGLBMSP-ZFWWWQNUSA-N 2 2 292.383 0.548 20 0 CCADLP Cc1ncc(CNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)s1 ZINC001219595879 804366916 /nfs/dbraw/zinc/36/69/16/804366916.db2.gz URGOLIOYYJAUAC-BXKDBHETSA-N 2 2 266.370 0.019 20 0 CCADLP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)NCCc1cn(C)c[nH+]1 ZINC001219633774 804384149 /nfs/dbraw/zinc/38/41/49/804384149.db2.gz DWEKDVFKXHUFOQ-AWEZNQCLSA-N 3 2 295.431 0.574 20 0 CCADLP CC(C)[C@@]1(C(=O)NC[C@H]2C[N@H+](C)CCO2)CCC[NH2+]C1 ZINC001219695474 804405915 /nfs/dbraw/zinc/40/59/15/804405915.db2.gz USZSZHJXKAPARL-DZGCQCFKSA-N 2 2 283.416 0.459 20 0 CCADLP CC(C)[C@@]1(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CCC[NH2+]C1 ZINC001219695474 804405918 /nfs/dbraw/zinc/40/59/18/804405918.db2.gz USZSZHJXKAPARL-DZGCQCFKSA-N 2 2 283.416 0.459 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC001219866046 804432785 /nfs/dbraw/zinc/43/27/85/804432785.db2.gz ZHCBPNHCOULDNJ-HZSPNIEDSA-N 2 2 286.335 0.054 20 0 CCADLP Cc1c[nH]c(CCNC(=O)[C@H]2CC[NH2+]C[C@@H]2F)[nH+]1 ZINC001219952669 804456098 /nfs/dbraw/zinc/45/60/98/804456098.db2.gz ZPSGDMUZTSAJOB-UWVGGRQHSA-N 2 2 254.309 0.324 20 0 CCADLP CC[N@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H](O)C1 ZINC001083461007 815019347 /nfs/dbraw/zinc/01/93/47/815019347.db2.gz IUIWVHOXZNEZDQ-OLZOCXBDSA-N 2 2 288.351 0.438 20 0 CCADLP CC[N@@H+]1C[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H](O)C1 ZINC001083461007 815019352 /nfs/dbraw/zinc/01/93/52/815019352.db2.gz IUIWVHOXZNEZDQ-OLZOCXBDSA-N 2 2 288.351 0.438 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCCCc1ccncc1 ZINC001219980787 804464870 /nfs/dbraw/zinc/46/48/70/804464870.db2.gz PBIOQWVTNKFXAQ-AWEZNQCLSA-N 2 2 287.367 0.434 20 0 CCADLP CC(C)(CNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)c1ccccc1 ZINC001219984561 804465970 /nfs/dbraw/zinc/46/59/70/804465970.db2.gz OFVUCCKORLIBHO-OLZOCXBDSA-N 2 2 261.369 0.770 20 0 CCADLP O=C(NCc1ccc2n[nH]cc2c1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220025018 804476044 /nfs/dbraw/zinc/47/60/44/804476044.db2.gz HADLQZSOJZSCPG-WFASDCNBSA-N 2 2 285.351 0.131 20 0 CCADLP O=C(NCc1ccc2n[nH]cc2c1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220025015 804476244 /nfs/dbraw/zinc/47/62/44/804476244.db2.gz HADLQZSOJZSCPG-DOMZBBRYSA-N 2 2 285.351 0.131 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCC2CC2)C[C@@H]1O ZINC001220105679 804500329 /nfs/dbraw/zinc/50/03/29/804500329.db2.gz HHUMRTQCJTYLOY-KGLIPLIRSA-N 2 2 292.383 0.235 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCC2CC2)C[C@@H]1O ZINC001220105679 804500334 /nfs/dbraw/zinc/50/03/34/804500334.db2.gz HHUMRTQCJTYLOY-KGLIPLIRSA-N 2 2 292.383 0.235 20 0 CCADLP [NH3+][C@@H](CC(F)F)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC001220189082 804531807 /nfs/dbraw/zinc/53/18/07/804531807.db2.gz LHTPVGTVRSXNIG-RQJHMYQMSA-N 2 2 271.258 0.330 20 0 CCADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001220185716 804532045 /nfs/dbraw/zinc/53/20/45/804532045.db2.gz JPHFJIKTRHQZBK-UTLUCORTSA-N 2 2 279.306 0.438 20 0 CCADLP CC1(C)C[C@H](NC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CCO1 ZINC001220219114 804540677 /nfs/dbraw/zinc/54/06/77/804540677.db2.gz QBYGGPRJZWAKNL-WDMOLILDSA-N 2 2 267.373 0.012 20 0 CCADLP CC1(C)OCC(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)CO1 ZINC001220270778 804556799 /nfs/dbraw/zinc/55/67/99/804556799.db2.gz FZBATZYMRZOZEJ-CYBMUJFWSA-N 2 2 293.367 0.526 20 0 CCADLP Cc1cccn2cc(CNC(=O)[C@]34C[NH2+]C[C@H]3CC[NH2+]4)nc12 ZINC001220278099 804559335 /nfs/dbraw/zinc/55/93/35/804559335.db2.gz CLUVKCHKFWTRLN-WBMJQRKESA-N 2 2 299.378 0.210 20 0 CCADLP Cc1cccn2cc(CNC(=O)[C@]34C[NH2+]C[C@@H]3CC[NH2+]4)nc12 ZINC001220278097 804560583 /nfs/dbraw/zinc/56/05/83/804560583.db2.gz CLUVKCHKFWTRLN-LRDDRELGSA-N 2 2 299.378 0.210 20 0 CCADLP Cc1cccc(C)c1CNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220351231 804581811 /nfs/dbraw/zinc/58/18/11/804581811.db2.gz WSSFZSXRHDJANL-BBRMVZONSA-N 2 2 273.380 0.871 20 0 CCADLP C[C@@H](NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)c1cnccn1 ZINC001220370746 804583517 /nfs/dbraw/zinc/58/35/17/804583517.db2.gz BWCHKGWTFGHCCX-ZWNOBZJWSA-N 2 2 285.351 0.926 20 0 CCADLP C[C@H](CC(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O)n1cc[nH+]c1 ZINC001220442103 804605475 /nfs/dbraw/zinc/60/54/75/804605475.db2.gz XPRDQIXBFXUWCR-BNOWGMLFSA-N 2 2 292.383 0.406 20 0 CCADLP C[C@H](CC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O)n1cc[nH+]c1 ZINC001220442103 804605482 /nfs/dbraw/zinc/60/54/82/804605482.db2.gz XPRDQIXBFXUWCR-BNOWGMLFSA-N 2 2 292.383 0.406 20 0 CCADLP O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220468948 804610739 /nfs/dbraw/zinc/61/07/39/804610739.db2.gz KKAKIKQRLCPKLG-XKNKYKOPSA-N 2 2 289.354 0.748 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC001220501656 804616317 /nfs/dbraw/zinc/61/63/17/804616317.db2.gz SKXSYCQPZRXFKY-OLZOCXBDSA-N 3 2 273.340 0.096 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H](c1ccccc1)C(F)(F)F ZINC001220568995 804625345 /nfs/dbraw/zinc/62/53/45/804625345.db2.gz DEUQARQPJJAQFQ-DCAQKATOSA-N 2 2 287.285 0.953 20 0 CCADLP C[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001220571050 804625721 /nfs/dbraw/zinc/62/57/21/804625721.db2.gz HMVPAZLECDTSCH-LBPRGKRZSA-N 2 2 269.389 0.069 20 0 CCADLP COc1cc(OC)cc([C@H](C)NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c1 ZINC001220573694 804627778 /nfs/dbraw/zinc/62/77/78/804627778.db2.gz UCVQKLWNFPVHKL-HERUPUMHSA-N 2 2 293.367 0.428 20 0 CCADLP Cn1nc(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)c2ccccc21 ZINC001220632454 804640509 /nfs/dbraw/zinc/64/05/09/804640509.db2.gz YHCKYWIJRKVZLD-LBPRGKRZSA-N 2 2 298.350 0.483 20 0 CCADLP COc1ccc2c(c1)[C@@H](NC(=O)C1([NH3+])CC[NH2+]CC1)CC2 ZINC001220634545 804640670 /nfs/dbraw/zinc/64/06/70/804640670.db2.gz PYHRBCAQCWKYIQ-AWEZNQCLSA-N 2 2 289.379 0.880 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)CC(C)(C)CC[NH3+] ZINC001220763667 804662488 /nfs/dbraw/zinc/66/24/88/804662488.db2.gz KBOCUBUAXJAJEY-XDQVBPFNSA-N 3 2 296.459 0.454 20 0 CCADLP CC(C)(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2COC[NH2+]2)CC1 ZINC001220909275 804698410 /nfs/dbraw/zinc/69/84/10/804698410.db2.gz QPNGHJDOAWKXLC-LBPRGKRZSA-N 2 2 297.399 0.128 20 0 CCADLP Cc1nccnc1CNC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001221103994 804731669 /nfs/dbraw/zinc/73/16/69/804731669.db2.gz UWGRMIGHUPHSBL-CYBMUJFWSA-N 2 2 285.351 0.674 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H](c1ncccc1F)C1CC1 ZINC001221218927 804748873 /nfs/dbraw/zinc/74/88/73/804748873.db2.gz JGPKWIUEKHBGGI-DLOVCJGASA-N 2 2 278.331 0.335 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1CCCc2cnccc21 ZINC001221292528 804768261 /nfs/dbraw/zinc/76/82/61/804768261.db2.gz NWPYSDUPPZQMJR-AVGNSLFASA-N 2 2 260.341 0.122 20 0 CCADLP Cn1ncc2c1cccc2CNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001221306699 804772905 /nfs/dbraw/zinc/77/29/05/804772905.db2.gz XBEMWUNZFXYUMY-IOASZLSFSA-N 2 2 299.378 0.411 20 0 CCADLP O=C(N[C@H](C1CCC1)C1C[NH2+]C1)[C@H]1C[NH2+]CC(F)(F)C1 ZINC001221409057 804811389 /nfs/dbraw/zinc/81/13/89/804811389.db2.gz MAFACVGOVGCXDL-ZYHUDNBSSA-N 2 2 287.354 0.736 20 0 CCADLP Nc1nc(Cl)ccc1CN1CC[NH2+]C2(CC[NH2+]CC2)C1 ZINC001222104039 804870229 /nfs/dbraw/zinc/87/02/29/804870229.db2.gz AJHOFPCFKJCESY-UHFFFAOYSA-N 2 2 295.818 0.845 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCC1CC[NH+](CCO)CC1 ZINC001223043771 804949052 /nfs/dbraw/zinc/94/90/52/804949052.db2.gz SSXIHRTVOVRPQC-UHFFFAOYSA-N 2 2 280.372 0.163 20 0 CCADLP C[C@H](O)C[NH+]1CCC(CNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001223043599 804949414 /nfs/dbraw/zinc/94/94/14/804949414.db2.gz QTSCCOWZMJKWNZ-LBPRGKRZSA-N 2 2 294.399 0.551 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001276985786 805062949 /nfs/dbraw/zinc/06/29/49/805062949.db2.gz JGUXBNGXEAKLLN-RYUDHWBXSA-N 2 2 266.345 0.109 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001276985786 805062959 /nfs/dbraw/zinc/06/29/59/805062959.db2.gz JGUXBNGXEAKLLN-RYUDHWBXSA-N 2 2 266.345 0.109 20 0 CCADLP CCOCC[NH+]1CCC(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001224672104 805067205 /nfs/dbraw/zinc/06/72/05/805067205.db2.gz BROYWTZIBYIQBI-UHFFFAOYSA-N 2 2 294.399 0.817 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC1CC[NH+](C[C@@H](C)O)CC1 ZINC001225286235 805118254 /nfs/dbraw/zinc/11/82/54/805118254.db2.gz SKUUBFXNBRUCLS-LLVKDONJSA-N 2 2 294.399 0.470 20 0 CCADLP COC[C@@H](C)[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001225675587 805151128 /nfs/dbraw/zinc/15/11/28/805151128.db2.gz ALHQDCKWAAYMTR-CYBMUJFWSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC[N@@H+]1CCO ZINC001088678529 815056220 /nfs/dbraw/zinc/05/62/20/815056220.db2.gz XFWVXJSUQNOYSI-AGIUHOORSA-N 2 2 292.383 0.017 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC[N@H+]1CCO ZINC001088678529 815056227 /nfs/dbraw/zinc/05/62/27/815056227.db2.gz XFWVXJSUQNOYSI-AGIUHOORSA-N 2 2 292.383 0.017 20 0 CCADLP Cn1ccnc1C[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001228992133 805494170 /nfs/dbraw/zinc/49/41/70/805494170.db2.gz OCIUCJZJDVAWMY-UHFFFAOYSA-N 2 2 293.415 0.452 20 0 CCADLP O[C@H](C[NH2+][C@@H]1C[NH2+]CC12CC2)COCc1ccccc1 ZINC001245985906 807106614 /nfs/dbraw/zinc/10/66/14/807106614.db2.gz NKJCWKANDBTRMH-HUUCEWRRSA-N 2 2 276.380 0.906 20 0 CCADLP O[C@H](C[NH2+][C@H]1CCC[NH2+]C1)COc1ccccc1 ZINC001245985155 807107317 /nfs/dbraw/zinc/10/73/17/807107317.db2.gz ZTXQYVRXTHTDBW-QWHCGFSZSA-N 2 2 250.342 0.768 20 0 CCADLP COc1ccc(OC[C@H](O)C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC001245984024 807107343 /nfs/dbraw/zinc/10/73/43/807107343.db2.gz WPLNKLZKPMOTMR-QWHCGFSZSA-N 2 2 280.368 0.777 20 0 CCADLP C[C@H]1C[NH2+]C[C@H](C[NH2+]C[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC001245987045 807108681 /nfs/dbraw/zinc/10/86/81/807108681.db2.gz AYWYSNJTVMTFMW-MXASKKJJSA-N 3 2 291.439 0.753 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CCC[NH2+]C1)COCc1ccco1 ZINC001246009722 807114225 /nfs/dbraw/zinc/11/42/25/807114225.db2.gz GPVHBBFAKBXTAR-VXGBXAGGSA-N 2 2 254.330 0.499 20 0 CCADLP C[C@](O)(C[NH+]1CC(C)(C[NH3+])C1)C(=O)OCc1ccccc1 ZINC001246032281 807126870 /nfs/dbraw/zinc/12/68/70/807126870.db2.gz JZGZTRQEDJJPMB-INIZCTEOSA-N 2 2 292.379 0.761 20 0 CCADLP CC1(C[NH3+])C[NH+](C[C@@H](O)COc2cccc(F)c2)C1 ZINC001246035635 807130380 /nfs/dbraw/zinc/13/03/80/807130380.db2.gz PZWZOYRPUHMKKF-GFCCVEGCSA-N 2 2 268.332 0.846 20 0 CCADLP [NH3+][C@]12CC[C@H]1C[N@H+](C[C@@H](O)COCc1ccccc1)C2 ZINC001246045968 807132300 /nfs/dbraw/zinc/13/23/00/807132300.db2.gz MBLLKYRHOJWZAV-XHSDSOJGSA-N 2 2 276.380 0.987 20 0 CCADLP [NH3+][C@]12CC[C@H]1C[N@@H+](C[C@@H](O)COCc1ccccc1)C2 ZINC001246045968 807132301 /nfs/dbraw/zinc/13/23/01/807132301.db2.gz MBLLKYRHOJWZAV-XHSDSOJGSA-N 2 2 276.380 0.987 20 0 CCADLP CCOC(=O)N1CCC([NH2+][C@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001246087646 807147912 /nfs/dbraw/zinc/14/79/12/807147912.db2.gz PTEXAEIMYDIOKE-NEPJUHHUSA-N 2 2 273.352 0.897 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H](N[C@H]2C[NH2+]CC[C@H]2C)C[NH2+]1 ZINC001246094201 807150826 /nfs/dbraw/zinc/15/08/26/807150826.db2.gz DNZZNYFRHRUPDX-OWTLIXCDSA-N 2 2 269.389 0.258 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C[C@H]1C(=O)OC ZINC001246121266 807159287 /nfs/dbraw/zinc/15/92/87/807159287.db2.gz VTQPZPSHWYRRAK-YVECIDJPSA-N 2 2 298.383 0.459 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)CO1 ZINC001246119955 807159675 /nfs/dbraw/zinc/15/96/75/807159675.db2.gz YEVRJLZQUCSMHV-XQHKEYJVSA-N 2 2 270.373 0.685 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N[C@@H]2C[NH2+]CC23CC3)C[NH2+]1 ZINC001246130552 807160737 /nfs/dbraw/zinc/16/07/37/807160737.db2.gz HYRKXHATLDUIFK-GRYCIOLGSA-N 2 2 281.400 0.400 20 0 CCADLP CC(C)OC(=O)[C@H](C)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246149550 807167148 /nfs/dbraw/zinc/16/71/48/807167148.db2.gz CIXAMVJANNVJJL-WDEREUQCSA-N 2 2 255.362 0.010 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N[C@@H](C[NH+](C)C)c2ccccc2)C[NH2+]1 ZINC001246168717 807173500 /nfs/dbraw/zinc/17/35/00/807173500.db2.gz GGGXFJIGSLAKJH-KKUMJFAQSA-N 2 2 291.395 0.782 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCC[NH2+]2)CN1 ZINC001246169797 807173536 /nfs/dbraw/zinc/17/35/36/807173536.db2.gz OCCPWGUMPPIAMA-XQQFMLRXSA-N 2 2 269.389 0.402 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@]2(C)CCC[NH2+]C2)C[NH2+]1 ZINC001246190648 807181623 /nfs/dbraw/zinc/18/16/23/807181623.db2.gz QXXJRAPKLOJNLP-SLEUVZQESA-N 2 2 283.416 0.790 20 0 CCADLP OC[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246213420 807187526 /nfs/dbraw/zinc/18/75/26/807187526.db2.gz QKZGCUILLRYTAE-CHWSQXEVSA-N 2 2 250.342 0.637 20 0 CCADLP C[C@@H]1CC[C@@H](NCC2([NH+]3CCCC3)COC2)C[NH2+]1 ZINC001246220816 807191506 /nfs/dbraw/zinc/19/15/06/807191506.db2.gz IAZBIUQZZBHRBA-CHWSQXEVSA-N 2 2 253.390 0.581 20 0 CCADLP CCC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@@H](O)C(=O)NC1CC1 ZINC001246290564 807209785 /nfs/dbraw/zinc/20/97/85/807209785.db2.gz CPBHEAGFRLCYNC-FRRDWIJNSA-N 2 2 269.389 0.136 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@H]1[NH2+]C1CCN(c2ccc(F)cc2)CC1 ZINC001246296712 807212629 /nfs/dbraw/zinc/21/26/29/807212629.db2.gz CFCSXHNTOINHQJ-BLLLJJGKSA-N 2 2 293.386 0.964 20 0 CCADLP COc1ccccc1C[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@@H]1CO ZINC001246304082 807215029 /nfs/dbraw/zinc/21/50/29/807215029.db2.gz GTQQNKDJVYWMLT-IACUBPJLSA-N 2 2 264.369 0.796 20 0 CCADLP C[C@H]1CC[C@H]([NH2+]Cc2ccccc2-n2cnnn2)C[NH2+]1 ZINC001246320064 807221047 /nfs/dbraw/zinc/22/10/47/807221047.db2.gz ZIMCUPKMOBWWKN-AAEUAGOBSA-N 2 2 272.356 0.892 20 0 CCADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246330414 807224048 /nfs/dbraw/zinc/22/40/48/807224048.db2.gz ACGIIGYZBBGDKT-IIKSMHAQSA-N 2 2 292.383 0.377 20 0 CCADLP CCOC(=O)[C@@H](CC)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246332148 807225577 /nfs/dbraw/zinc/22/55/77/807225577.db2.gz ZYCBSICCMSPHGB-WDEREUQCSA-N 2 2 255.362 0.012 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2N2CCOCC2)C[NH2+]1 ZINC001246338018 807226744 /nfs/dbraw/zinc/22/67/44/807226744.db2.gz WAIQBHBLWHKFFL-BARDWOONSA-N 2 2 267.417 0.970 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H](N[C@@H](C[NH3+])C(C)(C)C)C[NH2+]1 ZINC001246348513 807228241 /nfs/dbraw/zinc/22/82/41/807228241.db2.gz WQKLWKZZPGJKHM-COPLHBTASA-N 2 2 271.405 0.633 20 0 CCADLP O=C(N1CCC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C1)C(F)(F)F ZINC001246349526 807229909 /nfs/dbraw/zinc/22/99/09/807229909.db2.gz RVEZVQILISXQNG-NXEZZACHSA-N 2 2 279.306 0.881 20 0 CCADLP C[C@H]1CC[C@@H]([NH2+][C@H]2CCN(C(=O)C3CC3)C2)C[NH2+]1 ZINC001246354843 807231534 /nfs/dbraw/zinc/23/15/34/807231534.db2.gz ZPDNGZZRMVQTJE-UHTWSYAYSA-N 2 2 251.374 0.727 20 0 CCADLP O=C(C1CCOCC1)N1CC[C@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC001246363497 807235087 /nfs/dbraw/zinc/23/50/87/807235087.db2.gz YCIAWERXFCIZDE-KBPBESRZSA-N 2 2 281.400 0.356 20 0 CCADLP O=C1NCCCN1c1cc(C[NH2+]C2CC[NH2+]CC2)ccn1 ZINC001246384209 807239379 /nfs/dbraw/zinc/23/93/79/807239379.db2.gz AFBDBJGKZCXONV-UHFFFAOYSA-N 2 2 289.383 0.843 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]C[C@H](C)C2)CN1 ZINC001246500373 807266726 /nfs/dbraw/zinc/26/67/26/807266726.db2.gz WJALMRDIUVDNNX-VOAKCMCISA-N 2 2 269.389 0.258 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N[C@H](C[NH3+])c2cccc(OC)c2)C[NH2+]1 ZINC001246513945 807270467 /nfs/dbraw/zinc/27/04/67/807270467.db2.gz YSZIYIKOJJMXHG-FPMFFAJLSA-N 2 2 293.367 0.188 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC[NH2+]CC2)CO1 ZINC001246525967 807273197 /nfs/dbraw/zinc/27/31/97/807273197.db2.gz UPYUGWBFRKSBKN-NEPJUHHUSA-N 2 2 256.346 0.392 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CCC[NH2+]CC2)CO1 ZINC001246525967 807273199 /nfs/dbraw/zinc/27/31/99/807273199.db2.gz UPYUGWBFRKSBKN-NEPJUHHUSA-N 2 2 256.346 0.392 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@@](C)([NH3+])C2)C[C@H]1C(=O)OC ZINC001246526915 807273260 /nfs/dbraw/zinc/27/32/60/807273260.db2.gz COMFTEWSTVYBNE-FUTJPDQTSA-N 2 2 298.383 0.540 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@@](C)([NH3+])C2)C[C@H]1C(=O)OC ZINC001246526915 807273265 /nfs/dbraw/zinc/27/32/65/807273265.db2.gz COMFTEWSTVYBNE-FUTJPDQTSA-N 2 2 298.383 0.540 20 0 CCADLP COC(=O)[C@@]1(F)CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246548294 807282858 /nfs/dbraw/zinc/28/28/58/807282858.db2.gz HFLUWESYMBJMOJ-FIOVSDBCSA-N 2 2 256.321 0.856 20 0 CCADLP COC(=O)[C@@]1(F)CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246548294 807282860 /nfs/dbraw/zinc/28/28/60/807282860.db2.gz HFLUWESYMBJMOJ-FIOVSDBCSA-N 2 2 256.321 0.856 20 0 CCADLP [NH3+][C@@H]1C[N@@H+](C2CCN(c3cc[nH+]cc3)CC2)C[C@H]1O ZINC001246558774 807287834 /nfs/dbraw/zinc/28/78/34/807287834.db2.gz RBOYXNBNQYCMFL-ZIAGYGMSSA-N 3 2 262.357 0.054 20 0 CCADLP [NH3+][C@@H]1C[N@H+](C2CCN(c3cc[nH+]cc3)CC2)C[C@H]1O ZINC001246558774 807287839 /nfs/dbraw/zinc/28/78/39/807287839.db2.gz RBOYXNBNQYCMFL-ZIAGYGMSSA-N 3 2 262.357 0.054 20 0 CCADLP CCCC[C@@H]1C[C@@H]([N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246582377 807303039 /nfs/dbraw/zinc/30/30/39/807303039.db2.gz XCQZESRYACZONF-RFQIPJPRSA-N 3 2 255.406 0.549 20 0 CCADLP CCCC[C@@H]1C[C@@H]([N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246582377 807303048 /nfs/dbraw/zinc/30/30/48/807303048.db2.gz XCQZESRYACZONF-RFQIPJPRSA-N 3 2 255.406 0.549 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH+]2CC(C)(C[NH3+])C2)C[C@H]1C(=O)OC ZINC001246603549 807317287 /nfs/dbraw/zinc/31/72/87/807317287.db2.gz ZRLDUXLMHJPQIR-QJPTWQEYSA-N 2 2 298.383 0.398 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([NH+]2CC(C)(C[NH3+])C2)C[C@H]1C(=O)OC ZINC001246603548 807317856 /nfs/dbraw/zinc/31/78/56/807317856.db2.gz ZRLDUXLMHJPQIR-IJLUTSLNSA-N 2 2 298.383 0.398 20 0 CCADLP COC(=O)[C@H]1CCC[C@H](N2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)C1 ZINC001246619727 807328687 /nfs/dbraw/zinc/32/86/87/807328687.db2.gz UFDOEZRSQGZZBT-AJNGGQMLSA-N 2 2 295.427 0.744 20 0 CCADLP C[C@H]1C[C@H](N2CC[NH+](CC(=O)N3CCCC3)CC2)CC[NH2+]1 ZINC001246793348 807381811 /nfs/dbraw/zinc/38/18/11/807381811.db2.gz YGVBOTSFVMOQHI-LSDHHAIUSA-N 2 2 294.443 0.367 20 0 CCADLP C[C@H]1C[C@H]([NH+]2CCN(C3CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC001246795413 807383602 /nfs/dbraw/zinc/38/36/02/807383602.db2.gz MKRCMMKZTHDHIF-DZGCQCFKSA-N 3 2 266.433 0.497 20 0 CCADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246913817 807426543 /nfs/dbraw/zinc/42/65/43/807426543.db2.gz HBAURMPPRKYQOO-MGPQQGTHSA-N 3 2 264.417 0.106 20 0 CCADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246913817 807426548 /nfs/dbraw/zinc/42/65/48/807426548.db2.gz HBAURMPPRKYQOO-MGPQQGTHSA-N 3 2 264.417 0.106 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246913817 807426553 /nfs/dbraw/zinc/42/65/53/807426553.db2.gz HBAURMPPRKYQOO-MGPQQGTHSA-N 3 2 264.417 0.106 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@H]21 ZINC001246913817 807426558 /nfs/dbraw/zinc/42/65/58/807426558.db2.gz HBAURMPPRKYQOO-MGPQQGTHSA-N 3 2 264.417 0.106 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]([N@@H+]2CCC[C@@H]2C[NH3+])CCN1 ZINC001246918908 807428440 /nfs/dbraw/zinc/42/84/40/807428440.db2.gz YNPHGJSEALPNEZ-UTUOFQBUSA-N 2 2 255.362 0.093 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]([N@H+]2CCC[C@@H]2C[NH3+])CCN1 ZINC001246918908 807428443 /nfs/dbraw/zinc/42/84/43/807428443.db2.gz YNPHGJSEALPNEZ-UTUOFQBUSA-N 2 2 255.362 0.093 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C2CCC3(CCC[NH2+]C3)CC2)C[C@@H]1[NH3+] ZINC001246929103 807432218 /nfs/dbraw/zinc/43/22/18/807432218.db2.gz CNXCLHDAJWZBBF-IQXANGCESA-N 3 2 295.427 0.731 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C[C@@H]1[NH3+] ZINC001246929103 807432222 /nfs/dbraw/zinc/43/22/22/807432222.db2.gz CNXCLHDAJWZBBF-IQXANGCESA-N 3 2 295.427 0.731 20 0 CCADLP CCOC1CCC([N@@H+]2C[C@H]([NH3+])[C@H](C(=O)OC)C2)CC1 ZINC001246935825 807433911 /nfs/dbraw/zinc/43/39/11/807433911.db2.gz YWOJDFGIADRVGN-TUUUFIMRSA-N 2 2 270.373 0.766 20 0 CCADLP CCOC1CCC([N@H+]2C[C@H]([NH3+])[C@H](C(=O)OC)C2)CC1 ZINC001246935825 807433914 /nfs/dbraw/zinc/43/39/14/807433914.db2.gz YWOJDFGIADRVGN-TUUUFIMRSA-N 2 2 270.373 0.766 20 0 CCADLP C[C@@H]1C[C@H]([N@@H+]2Cc3ccnn3CC[C@@H]2CO)CC[NH2+]1 ZINC001246944863 807436781 /nfs/dbraw/zinc/43/67/81/807436781.db2.gz XZYYOVNXRQPKRF-YRGRVCCFSA-N 2 2 264.373 0.590 20 0 CCADLP C[C@@H]1C[C@H]([N@H+]2Cc3ccnn3CC[C@@H]2CO)CC[NH2+]1 ZINC001246944863 807436783 /nfs/dbraw/zinc/43/67/83/807436783.db2.gz XZYYOVNXRQPKRF-YRGRVCCFSA-N 2 2 264.373 0.590 20 0 CCADLP C[C@@H](O)[C@H]([NH3+])c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001247620032 807470425 /nfs/dbraw/zinc/47/04/25/807470425.db2.gz SDGXJXGWVLDTEG-HQJQHLMTSA-N 2 2 275.312 0.158 20 0 CCADLP COCC[N@H+](Cc1cccc(=O)n1C)C1CC[NH+](C)CC1 ZINC001248807409 807526651 /nfs/dbraw/zinc/52/66/51/807526651.db2.gz QCJMQMFMXPXHIT-UHFFFAOYSA-N 2 2 293.411 0.928 20 0 CCADLP COCC[N@@H+](Cc1cccc(=O)n1C)C1CC[NH+](C)CC1 ZINC001248807409 807526654 /nfs/dbraw/zinc/52/66/54/807526654.db2.gz QCJMQMFMXPXHIT-UHFFFAOYSA-N 2 2 293.411 0.928 20 0 CCADLP COc1cc(C)ccc1-c1noc(C[C@@H]([NH3+])C[NH3+])n1 ZINC001249130218 807545800 /nfs/dbraw/zinc/54/58/00/807545800.db2.gz YSLVYCQMVCLYJR-SECBINFHSA-N 2 2 262.313 0.882 20 0 CCADLP CCOCC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC001278533345 807566827 /nfs/dbraw/zinc/56/68/27/807566827.db2.gz RCSDAXNEZLRFHG-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP CCOCC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC001278533345 807566830 /nfs/dbraw/zinc/56/68/30/807566830.db2.gz RCSDAXNEZLRFHG-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001075967090 815130311 /nfs/dbraw/zinc/13/03/11/815130311.db2.gz GTNWZMUWJWVYJM-MELADBBJSA-N 2 2 288.395 0.998 20 0 CCADLP CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001075967090 815130314 /nfs/dbraw/zinc/13/03/14/815130314.db2.gz GTNWZMUWJWVYJM-MELADBBJSA-N 2 2 288.395 0.998 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)n2cc[nH+]c2)C1 ZINC001251705579 807695917 /nfs/dbraw/zinc/69/59/17/807695917.db2.gz SFJLIEIEXXVCKS-NEPJUHHUSA-N 2 2 266.345 0.281 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)n2cc[nH+]c2)C1 ZINC001251705579 807695919 /nfs/dbraw/zinc/69/59/19/807695919.db2.gz SFJLIEIEXXVCKS-NEPJUHHUSA-N 2 2 266.345 0.281 20 0 CCADLP CC[C@@H](O)C[N@@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001251768469 807701671 /nfs/dbraw/zinc/70/16/71/807701671.db2.gz CLQKMFICMIBKGM-GFCCVEGCSA-N 2 2 290.371 0.500 20 0 CCADLP CC[C@@H](O)C[N@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001251768469 807701673 /nfs/dbraw/zinc/70/16/73/807701673.db2.gz CLQKMFICMIBKGM-GFCCVEGCSA-N 2 2 290.371 0.500 20 0 CCADLP C[C@H](O)C[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001251960777 807753864 /nfs/dbraw/zinc/75/38/64/807753864.db2.gz RWYSGHQWFPCLNW-BFHYXJOUSA-N 2 2 261.369 0.826 20 0 CCADLP CCC[C@H](O)C[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001252784345 807958246 /nfs/dbraw/zinc/95/82/46/807958246.db2.gz XEWLVHFUODBZLH-HNNXBMFYSA-N 2 2 285.432 0.097 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+]C[C@H](O)c1ccco1 ZINC001253175394 808016992 /nfs/dbraw/zinc/01/69/92/808016992.db2.gz JUEIXJQPRIZGEV-RYUDHWBXSA-N 2 2 256.346 0.605 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@@]2(CCCC(=O)N2)C1 ZINC001253186511 808022800 /nfs/dbraw/zinc/02/28/00/808022800.db2.gz ZHEFAZNGLHRTQU-HOCLYGCPSA-N 2 2 297.443 0.824 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@@]2(CCCC(=O)N2)C1 ZINC001253186511 808022804 /nfs/dbraw/zinc/02/28/04/808022804.db2.gz ZHEFAZNGLHRTQU-HOCLYGCPSA-N 2 2 297.443 0.824 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@H](N(C)C(C)=O)C1 ZINC001253192713 808026364 /nfs/dbraw/zinc/02/63/64/808026364.db2.gz XELBVDZNKVHHRR-UONOGXRCSA-N 2 2 271.405 0.242 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CC[C@H](N(C)C(C)=O)C1 ZINC001253192713 808026371 /nfs/dbraw/zinc/02/63/71/808026371.db2.gz XELBVDZNKVHHRR-UONOGXRCSA-N 2 2 271.405 0.242 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@]2(CCC(=O)O2)C1 ZINC001253193729 808026770 /nfs/dbraw/zinc/02/67/70/808026770.db2.gz ICSHXRHAXZOWMP-ZFWWWQNUSA-N 2 2 284.400 0.861 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@]2(CCC(=O)O2)C1 ZINC001253193729 808026764 /nfs/dbraw/zinc/02/67/64/808026764.db2.gz ICSHXRHAXZOWMP-ZFWWWQNUSA-N 2 2 284.400 0.861 20 0 CCADLP CCOC(C[NH2+]C[C@H](O)C[NH+](CC)CC)OCC ZINC001253203215 808028358 /nfs/dbraw/zinc/02/83/58/808028358.db2.gz QFVVJKAFKFZWEX-LBPRGKRZSA-N 2 2 262.394 0.678 20 0 CCADLP CCCCC[C@H]([NH2+]C[C@H](O)C[NH+](CC)CC)C(=O)NC ZINC001253215356 808036528 /nfs/dbraw/zinc/03/65/28/808036528.db2.gz WXCFIRWZYJAVAX-KBPBESRZSA-N 2 2 287.448 0.974 20 0 CCADLP CC(=O)NC1CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253385061 808052155 /nfs/dbraw/zinc/05/21/55/808052155.db2.gz RIOUHYOHYKMZKR-CYBMUJFWSA-N 2 2 271.405 0.336 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@H](Oc2ncccn2)C1 ZINC001253396782 808057030 /nfs/dbraw/zinc/05/70/30/808057030.db2.gz DOPJQGPWNQAHAD-OLZOCXBDSA-N 2 2 294.399 0.679 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@H](Oc2ncccn2)C1 ZINC001253396782 808057034 /nfs/dbraw/zinc/05/70/34/808057034.db2.gz DOPJQGPWNQAHAD-OLZOCXBDSA-N 2 2 294.399 0.679 20 0 CCADLP CCCCC[C@H](O)C[NH2+][C@@H](Cc1c[nH+]c[nH]1)C(N)=O ZINC001253563247 808079651 /nfs/dbraw/zinc/07/96/51/808079651.db2.gz JJAXRJKPWMMTTO-RYUDHWBXSA-N 2 2 268.361 0.337 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001253799849 808145964 /nfs/dbraw/zinc/14/59/64/808145964.db2.gz NIBQBUCYEXKOCL-MBNYWOFBSA-N 2 2 270.373 0.184 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001253799849 808145968 /nfs/dbraw/zinc/14/59/68/808145968.db2.gz NIBQBUCYEXKOCL-MBNYWOFBSA-N 2 2 270.373 0.184 20 0 CCADLP c1cn2c(cccc2-c2cn(C[C@H]3C[NH2+]CCO3)nn2)[nH+]1 ZINC001254058350 808172170 /nfs/dbraw/zinc/17/21/70/808172170.db2.gz CKQMIGFHGTVJAA-LLVKDONJSA-N 2 2 284.323 0.581 20 0 CCADLP COC(=O)[C@H]([NH3+])Cc1cn([C@H]2CCC[N@H+](C)CC2)cn1 ZINC001254514911 808251287 /nfs/dbraw/zinc/25/12/87/808251287.db2.gz QIRDIFOQBDDFTJ-QWHCGFSZSA-N 2 2 280.372 0.583 20 0 CCADLP COC(=O)[C@H]([NH3+])Cc1cn([C@H]2CCC[N@@H+](C)CC2)cn1 ZINC001254514911 808251293 /nfs/dbraw/zinc/25/12/93/808251293.db2.gz QIRDIFOQBDDFTJ-QWHCGFSZSA-N 2 2 280.372 0.583 20 0 CCADLP C[N@@H+]1CCC[C@H]([NH+]2CCN(c3ncc(O)cn3)CC2)CC1 ZINC001254531922 808255505 /nfs/dbraw/zinc/25/55/05/808255505.db2.gz MZAYVQVHDLZMJF-ZDUSSCGKSA-N 2 2 291.399 0.789 20 0 CCADLP C[N@H+]1CCC[C@H]([NH+]2CCN(c3ncc(O)cn3)CC2)CC1 ZINC001254531922 808255509 /nfs/dbraw/zinc/25/55/09/808255509.db2.gz MZAYVQVHDLZMJF-ZDUSSCGKSA-N 2 2 291.399 0.789 20 0 CCADLP C[N@@H+]1CCC[C@H]([NH+]2Cc3ccnn3CC[C@H]2CO)CC1 ZINC001254531785 808256691 /nfs/dbraw/zinc/25/66/91/808256691.db2.gz LWYUUXMUMZWRAL-ZFWWWQNUSA-N 2 2 278.400 0.934 20 0 CCADLP C[N@H+]1CCC[C@H]([NH+]2Cc3ccnn3CC[C@H]2CO)CC1 ZINC001254531785 808256696 /nfs/dbraw/zinc/25/66/96/808256696.db2.gz LWYUUXMUMZWRAL-ZFWWWQNUSA-N 2 2 278.400 0.934 20 0 CCADLP C[NH+]1CCC[C@H]([N@@H+]2Cc3ccnn3CC[C@H]2CO)CC1 ZINC001254531785 808256700 /nfs/dbraw/zinc/25/67/00/808256700.db2.gz LWYUUXMUMZWRAL-ZFWWWQNUSA-N 2 2 278.400 0.934 20 0 CCADLP C[NH+]1CCC[C@H]([N@H+]2Cc3ccnn3CC[C@H]2CO)CC1 ZINC001254531785 808256710 /nfs/dbraw/zinc/25/67/10/808256710.db2.gz LWYUUXMUMZWRAL-ZFWWWQNUSA-N 2 2 278.400 0.934 20 0 CCADLP O=C(NCC[NH2+][C@H]1CC2CC[NH+](CC2)C1)N1CCOCC1 ZINC001254836337 808284094 /nfs/dbraw/zinc/28/40/94/808284094.db2.gz AAWRRMRPBRXZMA-AWEZNQCLSA-N 2 2 296.415 0.102 20 0 CCADLP COC(=O)[C@H]([NH3+])Cc1cn([C@@H]2CC3CC[NH+](CC3)C2)cn1 ZINC001254853016 808289116 /nfs/dbraw/zinc/28/91/16/808289116.db2.gz UWUQRXHDWOPOCH-ZIAGYGMSSA-N 2 2 292.383 0.583 20 0 CCADLP CCOC(=O)N1CC[C@H]([NH2+]CCc2[nH+]ccn2C)C1 ZINC001256026481 808453317 /nfs/dbraw/zinc/45/33/17/808453317.db2.gz DREHCRCVHFKAJS-NSHDSACASA-N 2 2 266.345 0.783 20 0 CCADLP OC[C@@H]1C[N@@H+](C2CC[NH+](C3CC3)CC2)CC[C@H]1O ZINC001256075089 808468439 /nfs/dbraw/zinc/46/84/39/808468439.db2.gz CMXYWELJVBAIGU-SMDDNHRTSA-N 2 2 254.374 0.288 20 0 CCADLP OC[C@@H]1C[N@H+](C2CC[NH+](C3CC3)CC2)CC[C@H]1O ZINC001256075089 808468443 /nfs/dbraw/zinc/46/84/43/808468443.db2.gz CMXYWELJVBAIGU-SMDDNHRTSA-N 2 2 254.374 0.288 20 0 CCADLP OC[C@@H]1C[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1O ZINC001256604587 808539325 /nfs/dbraw/zinc/53/93/25/808539325.db2.gz SVANMFUHVUBNDW-RDJZCZTQSA-N 2 2 290.407 0.936 20 0 CCADLP OC[C@@H]1C[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1O ZINC001256604587 808539328 /nfs/dbraw/zinc/53/93/28/808539328.db2.gz SVANMFUHVUBNDW-RDJZCZTQSA-N 2 2 290.407 0.936 20 0 CCADLP COC(=O)CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(N)=O ZINC001256619823 808542011 /nfs/dbraw/zinc/54/20/11/808542011.db2.gz JEBNEZHCJSPVJT-YATPEIPISA-N 2 2 283.372 0.008 20 0 CCADLP COC(=O)CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(N)=O ZINC001256619823 808542017 /nfs/dbraw/zinc/54/20/17/808542017.db2.gz JEBNEZHCJSPVJT-YATPEIPISA-N 2 2 283.372 0.008 20 0 CCADLP c1nnn2c1C[N@H+](C1CCC([NH+]3CCOCC3)CC1)CC2 ZINC001256696032 808552474 /nfs/dbraw/zinc/55/24/74/808552474.db2.gz UOPAFLLRZZTNKZ-UHFFFAOYSA-N 2 2 291.399 0.737 20 0 CCADLP c1nnn2c1C[N@@H+](C1CCC([NH+]3CCOCC3)CC1)CC2 ZINC001256696032 808552478 /nfs/dbraw/zinc/55/24/78/808552478.db2.gz UOPAFLLRZZTNKZ-UHFFFAOYSA-N 2 2 291.399 0.737 20 0 CCADLP CCC[NH+]1CCC([NH2+]CC(=O)CCC(=O)OC)CC1 ZINC001258766522 808699852 /nfs/dbraw/zinc/69/98/52/808699852.db2.gz XHSQBLCGPGURCQ-UHFFFAOYSA-N 2 2 270.373 0.973 20 0 CCADLP O=C(NCCCCn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001262564217 809344552 /nfs/dbraw/zinc/34/45/52/809344552.db2.gz BYEYOIFDVKZVLC-FRRDWIJNSA-N 2 2 277.372 0.855 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21)Cn1cc[nH+]c1 ZINC001263096517 809441715 /nfs/dbraw/zinc/44/17/15/809441715.db2.gz UNOUVNOZOMYEHF-LBELIVKGSA-N 2 2 262.357 0.619 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC001263109969 809449510 /nfs/dbraw/zinc/44/95/10/809449510.db2.gz LDCNBMLPRLBCHH-APPZFPTMSA-N 2 2 260.288 0.687 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC001263109969 809449513 /nfs/dbraw/zinc/44/95/13/809449513.db2.gz LDCNBMLPRLBCHH-APPZFPTMSA-N 2 2 260.288 0.687 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC001263110331 809450022 /nfs/dbraw/zinc/45/00/22/809450022.db2.gz SYKOWYSHRPSFEO-NTZNESFSSA-N 2 2 262.357 0.799 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC001263110331 809450026 /nfs/dbraw/zinc/45/00/26/809450026.db2.gz SYKOWYSHRPSFEO-NTZNESFSSA-N 2 2 262.357 0.799 20 0 CCADLP COCCN(CC[NH+](C)C)C(=O)C[C@H]([NH3+])C(F)F ZINC001263112846 809450823 /nfs/dbraw/zinc/45/08/23/809450823.db2.gz SBNWXYKCGXRZTA-VIFPVBQESA-N 2 2 267.320 0.006 20 0 CCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@@H]1CCc2[nH+]ccn2C1 ZINC001263248388 809495810 /nfs/dbraw/zinc/49/58/10/809495810.db2.gz BPKRAMVGTCZMRN-WISYIIOYSA-N 2 2 260.341 0.455 20 0 CCADLP CC[NH+](CC)C[C@@H](O)CN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000383736763 809569884 /nfs/dbraw/zinc/56/98/84/809569884.db2.gz ACLGVEZHMKOGFE-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP CC[NH+](CC)C[C@H](O)CN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000383736758 809570459 /nfs/dbraw/zinc/57/04/59/809570459.db2.gz ACLGVEZHMKOGFE-CABCVRRESA-N 2 2 285.432 0.096 20 0 CCADLP CC[NH+](CC)C[C@@H](O)CN1CC[C@H]([NH+]2CCOCC2)C1 ZINC000383736765 809570575 /nfs/dbraw/zinc/57/05/75/809570575.db2.gz ACLGVEZHMKOGFE-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001263996128 809619799 /nfs/dbraw/zinc/61/97/99/809619799.db2.gz TVVDYXMYWWOQFT-SDDRHHMPSA-N 2 2 262.357 0.717 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001263996128 809619802 /nfs/dbraw/zinc/61/98/02/809619802.db2.gz TVVDYXMYWWOQFT-SDDRHHMPSA-N 2 2 262.357 0.717 20 0 CCADLP COCC[NH2+][C@H]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001264398566 809650792 /nfs/dbraw/zinc/65/07/92/809650792.db2.gz QJVULDIOLFBDKW-BETUJISGSA-N 2 2 294.399 0.484 20 0 CCADLP CO[C@H](C)C[N@H+](C)CCCNC(=O)Cn1cc[nH+]c1 ZINC001265075661 809704652 /nfs/dbraw/zinc/70/46/52/809704652.db2.gz CWSVGQKYKUPMRS-GFCCVEGCSA-N 2 2 268.361 0.356 20 0 CCADLP CO[C@H](C)C[N@@H+](C)CCCNC(=O)Cn1cc[nH+]c1 ZINC001265075661 809704659 /nfs/dbraw/zinc/70/46/59/809704659.db2.gz CWSVGQKYKUPMRS-GFCCVEGCSA-N 2 2 268.361 0.356 20 0 CCADLP C[C@@H](O)CCC[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001265872586 809881410 /nfs/dbraw/zinc/88/14/10/809881410.db2.gz BXNFXXNTVBHPCT-NWDGAFQWSA-N 2 2 268.361 0.138 20 0 CCADLP C[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)C[C@H]1CCCCO1 ZINC001265929358 809898205 /nfs/dbraw/zinc/89/82/05/809898205.db2.gz NFLOWQOQHIBSJI-CQSZACIVSA-N 2 2 294.399 0.959 20 0 CCADLP C[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)C[C@H]1CCCCO1 ZINC001265929358 809898211 /nfs/dbraw/zinc/89/82/11/809898211.db2.gz NFLOWQOQHIBSJI-CQSZACIVSA-N 2 2 294.399 0.959 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCCC[C@@H]1C[NH2+]CCCO ZINC001280458246 810021588 /nfs/dbraw/zinc/02/15/88/810021588.db2.gz VTPUHKMPFLYANN-CYBMUJFWSA-N 2 2 294.399 0.316 20 0 CCADLP CCC[N@@H+]1C[C@H]2OCCN(C(=O)Cc3[nH]c[nH+]c3C)[C@H]2C1 ZINC001083260234 811119903 /nfs/dbraw/zinc/11/99/03/811119903.db2.gz QRCGVHBAUBHFFO-UONOGXRCSA-N 2 2 292.383 0.582 20 0 CCADLP CCC[N@H+]1C[C@H]2OCCN(C(=O)Cc3[nH]c[nH+]c3C)[C@H]2C1 ZINC001083260234 811119905 /nfs/dbraw/zinc/11/99/05/811119905.db2.gz QRCGVHBAUBHFFO-UONOGXRCSA-N 2 2 292.383 0.582 20 0 CCADLP C[N@H+](Cc1cccc(C(N)=O)c1)C1(C[NH3+])CCOCC1 ZINC000725058406 811223864 /nfs/dbraw/zinc/22/38/64/811223864.db2.gz UXMJJGMNDJXJIF-UHFFFAOYSA-N 2 2 277.368 0.725 20 0 CCADLP C[N@@H+](Cc1cccc(C(N)=O)c1)C1(C[NH3+])CCOCC1 ZINC000725058406 811223869 /nfs/dbraw/zinc/22/38/69/811223869.db2.gz UXMJJGMNDJXJIF-UHFFFAOYSA-N 2 2 277.368 0.725 20 0 CCADLP CS(=O)(=O)C1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000393683468 811465171 /nfs/dbraw/zinc/46/51/71/811465171.db2.gz KHNAOSQCCJDPHF-KKJSVHSVSA-N 2 2 270.398 0.150 20 0 CCADLP CCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001267707224 811671118 /nfs/dbraw/zinc/67/11/18/811671118.db2.gz PQKGXVLXXKRZHZ-KKUMJFAQSA-N 2 2 295.427 0.792 20 0 CCADLP CCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001267707224 811671122 /nfs/dbraw/zinc/67/11/22/811671122.db2.gz PQKGXVLXXKRZHZ-KKUMJFAQSA-N 2 2 295.427 0.792 20 0 CCADLP CCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001267707224 811671131 /nfs/dbraw/zinc/67/11/31/811671131.db2.gz PQKGXVLXXKRZHZ-KKUMJFAQSA-N 2 2 295.427 0.792 20 0 CCADLP CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001267716438 811677677 /nfs/dbraw/zinc/67/76/77/811677677.db2.gz KPSNCAUPVSVWPM-STQMWFEESA-N 2 2 278.356 0.205 20 0 CCADLP CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001267716438 811677685 /nfs/dbraw/zinc/67/76/85/811677685.db2.gz KPSNCAUPVSVWPM-STQMWFEESA-N 2 2 278.356 0.205 20 0 CCADLP CC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001027230272 811976396 /nfs/dbraw/zinc/97/63/96/811976396.db2.gz YENJHWXNAAZYFQ-ZFWWWQNUSA-N 2 2 295.427 0.555 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C1(O)CCC1 ZINC000905103878 815510059 /nfs/dbraw/zinc/51/00/59/815510059.db2.gz ZZDRPMPWBBSASG-CHWSQXEVSA-N 2 2 254.374 0.336 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C1(O)CCC1 ZINC000905103878 815510064 /nfs/dbraw/zinc/51/00/64/815510064.db2.gz ZZDRPMPWBBSASG-CHWSQXEVSA-N 2 2 254.374 0.336 20 0 CCADLP C[C@H](C[NH2+]CC[C@H]1CCCO1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001268097897 812253382 /nfs/dbraw/zinc/25/33/82/812253382.db2.gz MGHUHTRLFLBTIY-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP COC[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001268097288 812253602 /nfs/dbraw/zinc/25/36/02/812253602.db2.gz BVQREBTWHPFKDL-NWDGAFQWSA-N 2 2 268.361 0.355 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]([NH2+]CCCO)C(C)C ZINC001268227106 812385373 /nfs/dbraw/zinc/38/53/73/812385373.db2.gz PZLQFFUOOPVIDO-CYBMUJFWSA-N 2 2 282.388 0.373 20 0 CCADLP C[C@@H](O)C[NH2+]CC[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001268388893 812538203 /nfs/dbraw/zinc/53/82/03/812538203.db2.gz XWCOUMPFWPZHCD-VXGBXAGGSA-N 2 2 282.388 0.218 20 0 CCADLP Cc1nc(-c2noc([C@H]3C[NH2+]C[C@@H]3[NH3+])n2)ccc1F ZINC001211757869 812686135 /nfs/dbraw/zinc/68/61/35/812686135.db2.gz VARBEINBHPWXLP-CBAPKCEASA-N 2 2 263.276 0.593 20 0 CCADLP CCC[NH2+]C/C=C\CNC(=O)Cc1[nH]c[nH+]c1C ZINC001268619802 812949832 /nfs/dbraw/zinc/94/98/32/812949832.db2.gz UKGJRXNCJDDQPN-PLNGDYQASA-N 2 2 250.346 0.933 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC/C=C/C[NH2+]CC[C@H]1CCCO1 ZINC001268632578 812955078 /nfs/dbraw/zinc/95/50/78/812955078.db2.gz HQPXXBHMCCCTTI-VSZDKKFSSA-N 2 2 292.383 0.714 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001269192368 813258821 /nfs/dbraw/zinc/25/88/21/813258821.db2.gz VPVOMJCULULMTQ-LLVKDONJSA-N 2 2 250.346 0.563 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001269192368 813258826 /nfs/dbraw/zinc/25/88/26/813258826.db2.gz VPVOMJCULULMTQ-LLVKDONJSA-N 2 2 250.346 0.563 20 0 CCADLP COCCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001269763929 813497058 /nfs/dbraw/zinc/49/70/58/813497058.db2.gz IWUNCGGAVAMNQD-CYBMUJFWSA-N 2 2 269.389 0.260 20 0 CCADLP COCCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001269763929 813497067 /nfs/dbraw/zinc/49/70/67/813497067.db2.gz IWUNCGGAVAMNQD-CYBMUJFWSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CC(N(C)C(=O)CCCC[NH+]2CCOCC2)C1 ZINC001269861141 813536915 /nfs/dbraw/zinc/53/69/15/813536915.db2.gz CIVUZUPAGIQRLZ-UHFFFAOYSA-N 2 2 283.416 0.651 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]Cc1cccnc1 ZINC001126436516 813582410 /nfs/dbraw/zinc/58/24/10/813582410.db2.gz DPCROSQNWYATGB-UHFFFAOYSA-N 2 2 273.340 0.643 20 0 CCADLP CO[C@H](C)C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126436987 813584939 /nfs/dbraw/zinc/58/49/39/813584939.db2.gz QGPCVOODKZYHTA-SNVBAGLBSA-N 2 2 254.334 0.083 20 0 CCADLP CC[C@H](F)C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126437298 813585984 /nfs/dbraw/zinc/58/59/84/813585984.db2.gz YGYCYLSYPUFFAG-JTQLQIEISA-N 2 2 256.325 0.796 20 0 CCADLP Cc1ncoc1C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126442537 813597374 /nfs/dbraw/zinc/59/73/74/813597374.db2.gz PJOSZRKGYFSFDA-UHFFFAOYSA-N 2 2 277.328 0.545 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]CCOCC1CCC1 ZINC001126441722 813598458 /nfs/dbraw/zinc/59/84/58/813598458.db2.gz BTGABMIBOXEYEC-UHFFFAOYSA-N 2 2 294.399 0.865 20 0 CCADLP C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1cccn2c[nH+]cc12 ZINC001270603288 813835903 /nfs/dbraw/zinc/83/59/03/813835903.db2.gz QOSZQUCJPSVNPQ-PHIMTYICSA-N 2 2 256.309 0.863 20 0 CCADLP C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1cccn2c[nH+]cc12 ZINC001270603288 813835909 /nfs/dbraw/zinc/83/59/09/813835909.db2.gz QOSZQUCJPSVNPQ-PHIMTYICSA-N 2 2 256.309 0.863 20 0 CCADLP C[C@H](C[NH2+]CCCO)N(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001271137611 814198566 /nfs/dbraw/zinc/19/85/66/814198566.db2.gz QSNIIKVXCDMCEF-NWDGAFQWSA-N 2 2 282.388 0.407 20 0 CCADLP C[C@H](C[NH2+]CCCO)N(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001271137611 814198570 /nfs/dbraw/zinc/19/85/70/814198570.db2.gz QSNIIKVXCDMCEF-NWDGAFQWSA-N 2 2 282.388 0.407 20 0 CCADLP COCC[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC001271170845 814307525 /nfs/dbraw/zinc/30/75/25/814307525.db2.gz NEEQPGSESGHAAB-LLVKDONJSA-N 2 2 268.361 0.046 20 0 CCADLP C[C@@H](C[NH2+]CC[C@@H]1CCOC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001271227060 814343179 /nfs/dbraw/zinc/34/31/79/814343179.db2.gz LYSGYPFHFJREAX-UONOGXRCSA-N 2 2 294.399 0.746 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@H+](CCF)CC[C@@H]2C1 ZINC001088219425 814447762 /nfs/dbraw/zinc/44/77/62/814447762.db2.gz BVTGVFCZOPEDSY-OLZOCXBDSA-N 2 2 280.347 0.633 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@@H+](CCF)CC[C@@H]2C1 ZINC001088219425 814447766 /nfs/dbraw/zinc/44/77/66/814447766.db2.gz BVTGVFCZOPEDSY-OLZOCXBDSA-N 2 2 280.347 0.633 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001029585765 814452047 /nfs/dbraw/zinc/45/20/47/814452047.db2.gz WQDIYVHEEKDUTN-BETUJISGSA-N 2 2 280.347 0.836 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001029585765 814452053 /nfs/dbraw/zinc/45/20/53/814452053.db2.gz WQDIYVHEEKDUTN-BETUJISGSA-N 2 2 280.347 0.836 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ncccn1 ZINC001127065649 815621225 /nfs/dbraw/zinc/62/12/25/815621225.db2.gz CMLHXKFCKHAWKY-CYBMUJFWSA-N 2 2 291.399 0.555 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ncccn1 ZINC001127065649 815621230 /nfs/dbraw/zinc/62/12/30/815621230.db2.gz CMLHXKFCKHAWKY-CYBMUJFWSA-N 2 2 291.399 0.555 20 0 CCADLP CCC(CC)C[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001030183322 815873119 /nfs/dbraw/zinc/87/31/19/815873119.db2.gz REBNXFYAKUJINV-CQSZACIVSA-N 2 2 283.416 0.554 20 0 CCADLP CCC(CC)C[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001030183322 815873127 /nfs/dbraw/zinc/87/31/27/815873127.db2.gz REBNXFYAKUJINV-CQSZACIVSA-N 2 2 283.416 0.554 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001030534729 816091360 /nfs/dbraw/zinc/09/13/60/816091360.db2.gz HFSNRURFJXKHEO-GFCCVEGCSA-N 2 2 257.353 0.631 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001030534729 816091367 /nfs/dbraw/zinc/09/13/67/816091367.db2.gz HFSNRURFJXKHEO-GFCCVEGCSA-N 2 2 257.353 0.631 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CC2CCOCC2)C1 ZINC001030533617 816092279 /nfs/dbraw/zinc/09/22/79/816092279.db2.gz SRNQYZKFNRLKCW-HNNXBMFYSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CC2CCOCC2)C1 ZINC001030533617 816092286 /nfs/dbraw/zinc/09/22/86/816092286.db2.gz SRNQYZKFNRLKCW-HNNXBMFYSA-N 2 2 295.427 0.698 20 0 CCADLP O=C(NC1C[NH+](CC2CC2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001030544543 816099914 /nfs/dbraw/zinc/09/99/14/816099914.db2.gz PNCMPGKIVMAOPK-LBPRGKRZSA-N 2 2 274.368 0.656 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001030684081 816216389 /nfs/dbraw/zinc/21/63/89/816216389.db2.gz KVKTYHPHTXKKRL-NSHDSACASA-N 2 2 288.351 0.783 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC1C[NH+](CCCF)C1 ZINC001030684727 816218532 /nfs/dbraw/zinc/21/85/32/816218532.db2.gz PLUIRZWNRUUNIK-UHFFFAOYSA-N 2 2 254.309 0.352 20 0 CCADLP O=C(NC1C[NH+](CCCF)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001030705561 816239461 /nfs/dbraw/zinc/23/94/61/816239461.db2.gz DXUHCJAKUYHNNL-QRJNDHJOSA-N 2 2 297.374 0.010 20 0 CCADLP COCC[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001168493102 816834019 /nfs/dbraw/zinc/83/40/19/816834019.db2.gz LIPQQKBPARAMEH-UHFFFAOYSA-N 2 2 280.372 0.406 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC(C)(C(N)=O)CC2)O1 ZINC001235723516 816900385 /nfs/dbraw/zinc/90/03/85/816900385.db2.gz DGSGUTKKMQETBF-JTQLQIEISA-N 2 2 255.362 0.298 20 0 CCADLP Cn1c[nH+]cc1CN1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001031254032 816900478 /nfs/dbraw/zinc/90/04/78/816900478.db2.gz VCOVYPGBYOFUBS-GFCCVEGCSA-N 2 2 291.399 0.062 20 0 CCADLP Cn1c[nH+]cc1CN1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001031254032 816900486 /nfs/dbraw/zinc/90/04/86/816900486.db2.gz VCOVYPGBYOFUBS-GFCCVEGCSA-N 2 2 291.399 0.062 20 0 CCADLP CC(C)C[NH+]1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001031257909 816908296 /nfs/dbraw/zinc/90/82/96/816908296.db2.gz AJEYPYUCNBPMCB-UHFFFAOYSA-N 2 2 250.346 0.419 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC1C[NH+](CC2CCOCC2)C1 ZINC001031258715 816909622 /nfs/dbraw/zinc/90/96/22/816909622.db2.gz RAOVTRCJYGRCAA-UHFFFAOYSA-N 2 2 292.383 0.190 20 0 CCADLP O=C(C[NH+]1CCCC1)NC1C[NH+](C[C@@H]2CCCCO2)C1 ZINC001031390025 817025033 /nfs/dbraw/zinc/02/50/33/817025033.db2.gz GQZHMUJDXZTXBA-AWEZNQCLSA-N 2 2 281.400 0.452 20 0 CCADLP CC1CC(C[NH+]2CC(NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001031477050 817073207 /nfs/dbraw/zinc/07/32/07/817073207.db2.gz NSBYLZWKZPZDQI-UHFFFAOYSA-N 2 2 262.357 0.730 20 0 CCADLP CC[C@H](F)C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001031597130 817173017 /nfs/dbraw/zinc/17/30/17/817173017.db2.gz UVINAKCBSHEUJG-STQMWFEESA-N 2 2 287.379 0.113 20 0 CCADLP CC[C@H](F)C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001031597130 817173018 /nfs/dbraw/zinc/17/30/18/817173018.db2.gz UVINAKCBSHEUJG-STQMWFEESA-N 2 2 287.379 0.113 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](CC2CCC(OC)CC2)C[C@@H]1[NH3+] ZINC001236346189 817273456 /nfs/dbraw/zinc/27/34/56/817273456.db2.gz XRRONZIVOOYUSY-TUUUFIMRSA-N 2 2 270.373 0.624 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](CC2CCC(OC)CC2)C[C@@H]1[NH3+] ZINC001236346189 817273465 /nfs/dbraw/zinc/27/34/65/817273465.db2.gz XRRONZIVOOYUSY-TUUUFIMRSA-N 2 2 270.373 0.624 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1coc(C2CC2)n1 ZINC001124879617 817611363 /nfs/dbraw/zinc/61/13/63/817611363.db2.gz XNBSWWKHUGJKAX-ZDUSSCGKSA-N 2 2 292.383 0.852 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1coc(C2CC2)n1 ZINC001124879617 817611369 /nfs/dbraw/zinc/61/13/69/817611369.db2.gz XNBSWWKHUGJKAX-ZDUSSCGKSA-N 2 2 292.383 0.852 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C/C(Cl)=C\Cl)C1 ZINC001125221271 817731471 /nfs/dbraw/zinc/73/14/71/817731471.db2.gz PCTONHDSBQLDJI-ZKXNXJMVSA-N 2 2 296.198 0.342 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C/C(Cl)=C\Cl)C1 ZINC001125221271 817731474 /nfs/dbraw/zinc/73/14/74/817731474.db2.gz PCTONHDSBQLDJI-ZKXNXJMVSA-N 2 2 296.198 0.342 20 0 CCADLP CC(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001032331699 817886281 /nfs/dbraw/zinc/88/62/81/817886281.db2.gz HUXGZHLYYCHLED-IHRRRGAJSA-N 2 2 281.400 0.258 20 0 CCADLP CC(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001032331699 817886288 /nfs/dbraw/zinc/88/62/88/817886288.db2.gz HUXGZHLYYCHLED-IHRRRGAJSA-N 2 2 281.400 0.258 20 0 CCADLP CC(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001032331699 817886297 /nfs/dbraw/zinc/88/62/97/817886297.db2.gz HUXGZHLYYCHLED-IHRRRGAJSA-N 2 2 281.400 0.258 20 0 CCADLP CC(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001032331699 817886308 /nfs/dbraw/zinc/88/63/08/817886308.db2.gz HUXGZHLYYCHLED-IHRRRGAJSA-N 2 2 281.400 0.258 20 0 CCADLP CC[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001078761409 818051004 /nfs/dbraw/zinc/05/10/04/818051004.db2.gz LPPJZYCMSVHUBH-QWRGUYRKSA-N 2 2 262.357 0.989 20 0 CCADLP Cc1nc(NC(=[NH2+])N2CC[NH+](C)CC2)nc2nc[nH]c21 ZINC001168735056 818533457 /nfs/dbraw/zinc/53/34/57/818533457.db2.gz GIVYCPORIYIRMQ-UHFFFAOYSA-N 2 2 274.332 0.207 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cc(Cl)cc(N)n2)CC1 ZINC001168735566 818536205 /nfs/dbraw/zinc/53/62/05/818536205.db2.gz STIACGUQOWYTSE-UHFFFAOYSA-N 2 2 268.752 0.911 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ncnc(Cl)n2)CC1 ZINC001168735706 818539487 /nfs/dbraw/zinc/53/94/87/818539487.db2.gz FCVBGPZLKQPGAM-UHFFFAOYSA-N 2 2 255.713 0.119 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cnc(Cl)cn2)CC1 ZINC001168736543 818548260 /nfs/dbraw/zinc/54/82/60/818548260.db2.gz IMPTXIVPSOFXQK-UHFFFAOYSA-N 2 2 254.725 0.724 20 0 CCADLP Cn1cnc2cnc(NC(=[NH2+])N3CC[NH+](C)CC3)cc21 ZINC001168736793 818552601 /nfs/dbraw/zinc/55/26/01/818552601.db2.gz QJEULLGFESJYFX-UHFFFAOYSA-N 2 2 273.344 0.562 20 0 CCADLP COc1c(F)nccc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168737024 818553757 /nfs/dbraw/zinc/55/37/57/818553757.db2.gz UGTCDKXXTNRKDU-UHFFFAOYSA-N 2 2 267.308 0.823 20 0 CCADLP CCOC(=O)c1cnc(NC(=[NH2+])N2CC[NH+](C)CC2)nc1 ZINC001168737097 818557020 /nfs/dbraw/zinc/55/70/20/818557020.db2.gz VSERNKCHOGEUTN-UHFFFAOYSA-N 2 2 292.343 0.247 20 0 CCADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001033208831 818653627 /nfs/dbraw/zinc/65/36/27/818653627.db2.gz WSQJBKLJXBQADD-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001033208831 818653635 /nfs/dbraw/zinc/65/36/35/818653635.db2.gz WSQJBKLJXBQADD-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033703789 818891868 /nfs/dbraw/zinc/89/18/68/818891868.db2.gz IACRFFNSUOJUDV-OLZOCXBDSA-N 2 2 280.372 0.451 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033703789 818891871 /nfs/dbraw/zinc/89/18/71/818891871.db2.gz IACRFFNSUOJUDV-OLZOCXBDSA-N 2 2 280.372 0.451 20 0 CCADLP C[C@@H](O)CCC[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128967076 819234169 /nfs/dbraw/zinc/23/41/69/819234169.db2.gz AEUXAUCVHGJXLX-LLVKDONJSA-N 2 2 268.361 0.209 20 0 CCADLP C[C@@H](O)CCC[NH2+]CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001128967076 819234176 /nfs/dbraw/zinc/23/41/76/819234176.db2.gz AEUXAUCVHGJXLX-LLVKDONJSA-N 2 2 268.361 0.209 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+]C[C@H]1C[C@]12CCOC2 ZINC001128967114 819235671 /nfs/dbraw/zinc/23/56/71/819235671.db2.gz BVEWPYFRKFVMAZ-DOMZBBRYSA-N 2 2 292.383 0.475 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC[NH2+]C[C@H]1C[C@]12CCOC2 ZINC001128967114 819235677 /nfs/dbraw/zinc/23/56/77/819235677.db2.gz BVEWPYFRKFVMAZ-DOMZBBRYSA-N 2 2 292.383 0.475 20 0 CCADLP CCCC[C@H]([NH2+]CCNC(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001128973181 819247773 /nfs/dbraw/zinc/24/77/73/819247773.db2.gz ULLSGXJYGHEBRE-LBPRGKRZSA-N 2 2 295.387 0.092 20 0 CCADLP CCCC[C@H]([NH2+]CCNC(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC001128973181 819247781 /nfs/dbraw/zinc/24/77/81/819247781.db2.gz ULLSGXJYGHEBRE-LBPRGKRZSA-N 2 2 295.387 0.092 20 0 CCADLP CCc1nc(C[NH2+]CCCNC(=O)C[NH+](CC)CC)no1 ZINC001168756067 819288061 /nfs/dbraw/zinc/28/80/61/819288061.db2.gz UOOSVTGTLZDZHX-UHFFFAOYSA-N 2 2 297.403 0.570 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000709782714 819809875 /nfs/dbraw/zinc/80/98/75/819809875.db2.gz DRKDMHPKUDURTM-QWHCGFSZSA-N 2 2 253.346 0.257 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000709782714 819809883 /nfs/dbraw/zinc/80/98/83/819809883.db2.gz DRKDMHPKUDURTM-QWHCGFSZSA-N 2 2 253.346 0.257 20 0 CCADLP Cn1c[nH+]cc1CN1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709851794 819815208 /nfs/dbraw/zinc/81/52/08/819815208.db2.gz FJKHYPBIZFXSQX-PSASIEDQSA-N 2 2 262.279 0.989 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710570219 819825789 /nfs/dbraw/zinc/82/57/89/819825789.db2.gz CFEJSGHQOJGEPL-AWEZNQCLSA-N 3 2 287.448 0.076 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710570219 819825794 /nfs/dbraw/zinc/82/57/94/819825794.db2.gz CFEJSGHQOJGEPL-AWEZNQCLSA-N 3 2 287.448 0.076 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711279027 819996423 /nfs/dbraw/zinc/99/64/23/819996423.db2.gz FGTRCGQVTKCXKZ-MNOVXSKESA-N 2 2 250.346 0.633 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001082492421 820988657 /nfs/dbraw/zinc/98/86/57/820988657.db2.gz SKMHLDTVJVXYAD-IJLUTSLNSA-N 2 2 280.372 0.160 20 0 CCADLP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001082492420 820989141 /nfs/dbraw/zinc/98/91/41/820989141.db2.gz SKMHLDTVJVXYAD-GRYCIOLGSA-N 2 2 280.372 0.160 20 0 CCADLP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001082549654 820997165 /nfs/dbraw/zinc/99/71/65/820997165.db2.gz QQLCFXDGYZFZKR-NTZNESFSSA-N 2 2 280.372 0.160 20 0 CCADLP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001082549654 820997170 /nfs/dbraw/zinc/99/71/70/820997170.db2.gz QQLCFXDGYZFZKR-NTZNESFSSA-N 2 2 280.372 0.160 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@H+](CCF)C[C@H]21 ZINC001084832858 821406885 /nfs/dbraw/zinc/40/68/85/821406885.db2.gz BIIDOTUZUSNVDN-CHWSQXEVSA-N 2 2 280.347 0.694 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]2CC[N@@H+](CCF)C[C@H]21 ZINC001084832858 821406889 /nfs/dbraw/zinc/40/68/89/821406889.db2.gz BIIDOTUZUSNVDN-CHWSQXEVSA-N 2 2 280.347 0.694 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CCF)C1 ZINC001279180777 822112851 /nfs/dbraw/zinc/11/28/51/822112851.db2.gz CWXFWRNBZYYNPE-JQWIXIFHSA-N 2 2 282.363 0.914 20 0 CCADLP O=C(NC[C@H]1C[C@H]([NH2+]CCF)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001086407205 822240757 /nfs/dbraw/zinc/24/07/57/822240757.db2.gz WEADUAZMAVFRQR-AVGNSLFASA-N 2 2 294.374 0.899 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@H](C2CC2)[NH+](C)C)o1 ZINC001129444799 837507282 /nfs/dbraw/zinc/50/72/82/837507282.db2.gz XZQZFKGPUITGAP-SKDRFNHKSA-N 2 2 295.387 0.485 20 0 CCADLP Cc1noc(C[NH2+]CCNC(=O)CC[C@@H]2CCC[N@H+]2C)n1 ZINC001129849861 837567371 /nfs/dbraw/zinc/56/73/71/837567371.db2.gz YBEBVRNZDRGAMZ-LBPRGKRZSA-N 2 2 295.387 0.458 20 0 CCADLP Cc1noc(C[NH2+]CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)n1 ZINC001129849861 837567378 /nfs/dbraw/zinc/56/73/78/837567378.db2.gz YBEBVRNZDRGAMZ-LBPRGKRZSA-N 2 2 295.387 0.458 20 0 CCADLP Cc1nonc1C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129947316 837597811 /nfs/dbraw/zinc/59/78/11/837597811.db2.gz URAJQGISOCFTPM-LBPRGKRZSA-N 2 2 283.376 0.170 20 0 CCADLP CC(C)C[C@@H](C(=O)NCC[NH2+]C[C@H](C)O)n1cc[nH+]c1 ZINC001130001268 837605400 /nfs/dbraw/zinc/60/54/00/837605400.db2.gz JAZHZPCVIFLWKQ-STQMWFEESA-N 2 2 282.388 0.557 20 0 CCADLP CCCC[NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130403942 837785945 /nfs/dbraw/zinc/78/59/45/837785945.db2.gz FEHWQHCPXHWEJF-LBPRGKRZSA-N 2 2 264.373 0.951 20 0 CCADLP CCOCC[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001130491546 837804830 /nfs/dbraw/zinc/80/48/30/837804830.db2.gz VXBZUFOTPBGBSM-GFCCVEGCSA-N 2 2 294.399 0.565 20 0 CCADLP CCOCC[NH2+]CCNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001130491546 837804841 /nfs/dbraw/zinc/80/48/41/837804841.db2.gz VXBZUFOTPBGBSM-GFCCVEGCSA-N 2 2 294.399 0.565 20 0 CCADLP O=C(NCC[NH2+]C[C@@H]1CCOC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001130484818 837808032 /nfs/dbraw/zinc/80/80/32/837808032.db2.gz WNXJRAHPTWAEKV-STQMWFEESA-N 2 2 292.383 0.188 20 0 CCADLP C[C@H](O)CCC[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130487890 837812289 /nfs/dbraw/zinc/81/22/89/837812289.db2.gz KAPITKKVSQQTFK-STQMWFEESA-N 2 2 294.399 0.312 20 0 CCADLP CCOCCC[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130487386 837813258 /nfs/dbraw/zinc/81/32/58/837813258.db2.gz FWMGSSUIKUYWEI-CYBMUJFWSA-N 2 2 294.399 0.578 20 0 CCADLP C[NH+](C)[C@H]1C[C@@H](C(=O)NCCOc2cc[nH+]cc2)C1 ZINC001183380198 844019208 /nfs/dbraw/zinc/01/92/08/844019208.db2.gz XSKIHFZKHQGYHM-TXEJJXNPSA-N 2 2 263.341 0.917 20 0 CCADLP CC(C)C[C@@H](C(=O)N1CC[C@@H]([NH2+]CCO)C1)n1cc[nH+]c1 ZINC001183495862 844025975 /nfs/dbraw/zinc/02/59/75/844025975.db2.gz HDRFXHZLKUEEOA-KGLIPLIRSA-N 2 2 294.399 0.653 20 0 CCADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[C@@H]([NH2+]CCCF)C1 ZINC001183771899 844085376 /nfs/dbraw/zinc/08/53/76/844085376.db2.gz DMIPGFZOWZNQIK-QWHCGFSZSA-N 2 2 294.374 0.996 20 0 CCADLP Cc1cc(N2CCOCC2)[nH+]cc1-n1cc(CC[NH3+])cn1 ZINC001168946317 836065253 /nfs/dbraw/zinc/06/52/53/836065253.db2.gz IEDCAEMNJIWEAQ-UHFFFAOYSA-N 2 2 287.367 0.914 20 0 CCADLP COc1cnc(Cl)cc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169072731 836125188 /nfs/dbraw/zinc/12/51/88/836125188.db2.gz VOMFLDPVOFFOID-MRVPVSSYSA-N 2 2 282.731 0.791 20 0 CCADLP Cc1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cc(F)n1 ZINC001169072593 836125206 /nfs/dbraw/zinc/12/52/06/836125206.db2.gz PPDGJJCZBMMLFD-SECBINFHSA-N 2 2 250.277 0.577 20 0 CCADLP COc1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cc1C ZINC001169071383 836126051 /nfs/dbraw/zinc/12/60/51/836126051.db2.gz ASINQAADRXNSKS-SNVBAGLBSA-N 2 2 262.313 0.446 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cccc2c1OCC2 ZINC001169074217 836127434 /nfs/dbraw/zinc/12/74/34/836127434.db2.gz GMXPSCIQUANNSR-LLVKDONJSA-N 2 2 259.309 0.669 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cccc(-c2nc[nH]n2)c1 ZINC001169074806 836128482 /nfs/dbraw/zinc/12/84/82/836128482.db2.gz OPOZNXWMYQCLOM-LLVKDONJSA-N 2 2 284.323 0.520 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Nc2ccc([C@H](C)[NH3+])nc2)C[NH2+]1 ZINC001169134787 836147995 /nfs/dbraw/zinc/14/79/95/836147995.db2.gz DZBSVBXJUVPEKK-XRNSZHNASA-N 2 2 264.329 0.417 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CN(c3ccncn3)C1)C2 ZINC001169109546 836150351 /nfs/dbraw/zinc/15/03/51/836150351.db2.gz DBTOSHFUMVLHND-UBSAEIQESA-N 2 2 273.384 0.880 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CN(c3ccncn3)C1)C2 ZINC001169109546 836150354 /nfs/dbraw/zinc/15/03/54/836150354.db2.gz DBTOSHFUMVLHND-UBSAEIQESA-N 2 2 273.384 0.880 20 0 CCADLP CC[C@H](F)C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169203717 836158986 /nfs/dbraw/zinc/15/89/86/836158986.db2.gz APHAZPKJVPXADC-JTQLQIEISA-N 2 2 256.325 0.796 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2C[NH+](C)C2)CO1 ZINC001169338353 836230107 /nfs/dbraw/zinc/23/01/07/836230107.db2.gz HFNUEVOPVSAQEW-RYUDHWBXSA-N 2 2 256.346 0.248 20 0 CCADLP CC(=O)N1CCC[C@H]([NH2+]CCc2[nH+]ccn2C)C1 ZINC001169596479 836370524 /nfs/dbraw/zinc/37/05/24/836370524.db2.gz IGDOQKBVWUCNST-LBPRGKRZSA-N 2 2 250.346 0.563 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNc1ccc2c(n1)C[NH2+]CC2 ZINC001169654130 836409131 /nfs/dbraw/zinc/40/91/31/836409131.db2.gz VXDTZYNWGMXPKF-LBPRGKRZSA-N 2 2 262.357 0.470 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNc1ccc2c(n1)C[NH2+]CC2 ZINC001169654130 836409134 /nfs/dbraw/zinc/40/91/34/836409134.db2.gz VXDTZYNWGMXPKF-LBPRGKRZSA-N 2 2 262.357 0.470 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)C2([NH+](C)C)CCC2)o1 ZINC001129358103 836513248 /nfs/dbraw/zinc/51/32/48/836513248.db2.gz PZUDVYROLLUPJM-SNVBAGLBSA-N 2 2 295.387 0.629 20 0 CCADLP COCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1)C2 ZINC001108835446 836537936 /nfs/dbraw/zinc/53/79/36/836537936.db2.gz QNFSJDAEECNSBW-MJBXVCDLSA-N 2 2 292.383 0.499 20 0 CCADLP Cc1nc(N(C)C[C@H](C)NC(=O)CC[NH+](C)C)cc[nH+]1 ZINC001109230134 836640715 /nfs/dbraw/zinc/64/07/15/836640715.db2.gz RIIIVRYAQOJGGV-NSHDSACASA-N 2 2 279.388 0.678 20 0 CCADLP C[C@@H](O)CCC[NH+]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001113384527 837104832 /nfs/dbraw/zinc/10/48/32/837104832.db2.gz ANIFBPOBJFNYIA-GFCCVEGCSA-N 2 2 280.372 0.257 20 0 CCADLP COCCC[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001184492138 844240248 /nfs/dbraw/zinc/24/02/48/844240248.db2.gz JMGXUNUKXIRECK-CYBMUJFWSA-N 2 2 294.399 0.580 20 0 CCADLP Cn1ccc(C[NH2+]CCNC(=O)c2ccn3c[nH+]cc3c2)n1 ZINC001130867996 837946754 /nfs/dbraw/zinc/94/67/54/837946754.db2.gz VMZSUGLNMDEQNS-UHFFFAOYSA-N 2 2 298.350 0.587 20 0 CCADLP Nc1cc(F)c(Cl)nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158206573 837985096 /nfs/dbraw/zinc/98/50/96/837985096.db2.gz VGBUTDKHQUSPSN-ZCFIWIBFSA-N 2 2 285.710 0.504 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]C2(CO)CC[NH+](C)CC2)C1 ZINC001170538587 837994644 /nfs/dbraw/zinc/99/46/44/837994644.db2.gz JQQJRSRINGQYFN-VXGBXAGGSA-N 2 2 270.373 0.374 20 0 CCADLP O=C(NCC[NH2+]CCn1cccn1)c1cccc2[nH+]ccn21 ZINC001131270370 838030053 /nfs/dbraw/zinc/03/00/53/838030053.db2.gz IZWUMPKZTRXZCL-UHFFFAOYSA-N 2 2 298.350 0.550 20 0 CCADLP CCn1ccc(C[NH2+]CCNC(=O)Cn2c[nH+]cc2C)n1 ZINC001131385760 838072470 /nfs/dbraw/zinc/07/24/70/838072470.db2.gz WAWNHPUUKVDCEO-UHFFFAOYSA-N 2 2 290.371 0.314 20 0 CCADLP Cc1cc(C[NH2+]CCNC(=O)Cn2c[nH+]cc2C)on1 ZINC001131377378 838075827 /nfs/dbraw/zinc/07/58/27/838075827.db2.gz ORNUQSJHCUNGNO-UHFFFAOYSA-N 2 2 277.328 0.394 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]CC1CC1 ZINC001131639261 838163469 /nfs/dbraw/zinc/16/34/69/838163469.db2.gz FGFGYHHSSBIWIW-UHFFFAOYSA-N 2 2 250.346 0.469 20 0 CCADLP CO[C@@H](C)C[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131641280 838163848 /nfs/dbraw/zinc/16/38/48/838163848.db2.gz MHOCOJUUHKCETR-NSHDSACASA-N 2 2 268.361 0.093 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]CCC[C@@H]1CCOC1 ZINC001132081813 838312523 /nfs/dbraw/zinc/31/25/23/838312523.db2.gz DVQRLSIMMJWBBO-CQSZACIVSA-N 2 2 294.399 0.796 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]C[C@@H]1C[C@]12CCOC2 ZINC001132082385 838314233 /nfs/dbraw/zinc/31/42/33/838314233.db2.gz NCRVHHTYLXPWEV-ZFWWWQNUSA-N 2 2 292.383 0.406 20 0 CCADLP Cc1cc(C[NH2+]CCNC(=O)CCn2cc[nH+]c2)ncn1 ZINC001132082857 838315238 /nfs/dbraw/zinc/31/52/38/838315238.db2.gz XKMBCNSBYRACQE-UHFFFAOYSA-N 2 2 288.355 0.278 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@@H+]1CCO ZINC001132091357 838316116 /nfs/dbraw/zinc/31/61/16/838316116.db2.gz WCSHTHILRLTVPO-YPMHNXCESA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@H+]1CCO ZINC001132091357 838316123 /nfs/dbraw/zinc/31/61/23/838316123.db2.gz WCSHTHILRLTVPO-YPMHNXCESA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@@H+]1CCO ZINC001132091357 838316131 /nfs/dbraw/zinc/31/61/31/838316131.db2.gz WCSHTHILRLTVPO-YPMHNXCESA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C[NH2+]CCO ZINC001132874419 838511911 /nfs/dbraw/zinc/51/19/11/838511911.db2.gz HWDOVRZLLYZPBV-OLZOCXBDSA-N 2 2 294.399 0.409 20 0 CCADLP C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C[NH2+]CCO ZINC001132874419 838511919 /nfs/dbraw/zinc/51/19/19/838511919.db2.gz HWDOVRZLLYZPBV-OLZOCXBDSA-N 2 2 294.399 0.409 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2ncccn2)C1 ZINC001133854043 838740098 /nfs/dbraw/zinc/74/00/98/838740098.db2.gz WEEAXYFSNLCWFD-LBPRGKRZSA-N 2 2 277.372 0.024 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2ncccn2)C1 ZINC001133854043 838740099 /nfs/dbraw/zinc/74/00/99/838740099.db2.gz WEEAXYFSNLCWFD-LBPRGKRZSA-N 2 2 277.372 0.024 20 0 CCADLP CC[C@@H](C(=O)NCC[NH2+][C@H](C)c1csnn1)[NH+](C)C ZINC001133965933 838794447 /nfs/dbraw/zinc/79/44/47/838794447.db2.gz QBJCPLZVLTXXBF-KOLCDFICSA-N 2 2 285.417 0.645 20 0 CCADLP COCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134227245 838911175 /nfs/dbraw/zinc/91/11/75/838911175.db2.gz DDTSDROAFQPZAM-NEPJUHHUSA-N 2 2 282.388 0.862 20 0 CCADLP CCn1cc(CC[NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC001134393002 838964126 /nfs/dbraw/zinc/96/41/26/838964126.db2.gz FYKNDPXGCLVIIS-UHFFFAOYSA-N 2 2 290.371 0.117 20 0 CCADLP C[C@H](CC(=O)NCC[NH2+]Cc1cncn1C)n1cc[nH+]c1 ZINC001134495086 838992819 /nfs/dbraw/zinc/99/28/19/838992819.db2.gz POSFIMMXOJYWIO-GFCCVEGCSA-N 2 2 290.371 0.474 20 0 CCADLP C[C@H](CC(=O)NCC[NH2+]Cc1ccn(C)n1)n1cc[nH+]c1 ZINC001134499103 838994556 /nfs/dbraw/zinc/99/45/56/838994556.db2.gz WJAOPFRSJZKMNX-GFCCVEGCSA-N 2 2 290.371 0.474 20 0 CCADLP CCCNC(=O)C[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001134498724 838995001 /nfs/dbraw/zinc/99/50/01/838995001.db2.gz NSIWKKYCQSJSTR-LBPRGKRZSA-N 2 2 295.387 0.066 20 0 CCADLP C[C@H](C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1)[NH2+]CCCO ZINC001134549146 839004047 /nfs/dbraw/zinc/00/40/47/839004047.db2.gz NVBBIDATGKCKOJ-NEPJUHHUSA-N 2 2 282.388 0.598 20 0 CCADLP C[C@H](C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1)[NH2+]CCCO ZINC001134549146 839004055 /nfs/dbraw/zinc/00/40/55/839004055.db2.gz NVBBIDATGKCKOJ-NEPJUHHUSA-N 2 2 282.388 0.598 20 0 CCADLP O=C(NCC[NH2+]CC1CC1)C1([NH+]2CCOCC2)CCCC1 ZINC001134613584 839019782 /nfs/dbraw/zinc/01/97/82/839019782.db2.gz ORHNLCGIYWFFQI-UHFFFAOYSA-N 2 2 295.427 0.747 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]C[C@H]1CCCOC1 ZINC001135756038 839385649 /nfs/dbraw/zinc/38/56/49/839385649.db2.gz VNQZEXZBEGTOBU-LLVKDONJSA-N 2 2 266.345 0.085 20 0 CCADLP C[C@H]1C[C@H](C[NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001135757507 839391523 /nfs/dbraw/zinc/39/15/23/839391523.db2.gz FAIHYPIENDUYSD-NWDGAFQWSA-N 2 2 280.372 0.473 20 0 CCADLP COc1ccc(C[NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC001135760937 839394127 /nfs/dbraw/zinc/39/41/27/839394127.db2.gz WLAXZPZJFLQBNU-UHFFFAOYSA-N 2 2 289.339 0.262 20 0 CCADLP COC(=O)Cc1c[nH]c2[nH+]ccc(N[C@H]([NH3+])CCC[NH3+])c12 ZINC001170904816 839555101 /nfs/dbraw/zinc/55/51/01/839555101.db2.gz PSSSGVAGKLMHKE-NSHDSACASA-N 3 2 291.355 0.714 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)NCCCN1CC[NH+](CC)CC1 ZINC001136216673 839567829 /nfs/dbraw/zinc/56/78/29/839567829.db2.gz UYEUITYRTMMWHF-CQSZACIVSA-N 2 2 282.432 0.224 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)NCCCN1CC[NH+](CC)CC1 ZINC001136216673 839567834 /nfs/dbraw/zinc/56/78/34/839567834.db2.gz UYEUITYRTMMWHF-CQSZACIVSA-N 2 2 282.432 0.224 20 0 CCADLP CCN1CC[NH+](CCCNC(=O)[C@H]2CC[N@@H+]2CC)CC1 ZINC001136216673 839567844 /nfs/dbraw/zinc/56/78/44/839567844.db2.gz UYEUITYRTMMWHF-CQSZACIVSA-N 2 2 282.432 0.224 20 0 CCADLP CCN1CC[NH+](CCCNC(=O)[C@H]2CC[N@H+]2CC)CC1 ZINC001136216673 839567849 /nfs/dbraw/zinc/56/78/49/839567849.db2.gz UYEUITYRTMMWHF-CQSZACIVSA-N 2 2 282.432 0.224 20 0 CCADLP CC[C@]([NH3+])(CO)Nc1cccc(N2CCC([NH3+])CC2)[nH+]1 ZINC001159745017 839567939 /nfs/dbraw/zinc/56/79/39/839567939.db2.gz ZIBYCPCRTZQOGR-CQSZACIVSA-N 3 2 279.388 0.478 20 0 CCADLP CC(C)[C@H]1C[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@@H]2COC3)CC[NH2+]1 ZINC001246152047 839647090 /nfs/dbraw/zinc/64/70/90/839647090.db2.gz WMWMGIALKCHMHG-XPABHHOTSA-N 3 2 267.417 0.587 20 0 CCADLP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001090601506 839666901 /nfs/dbraw/zinc/66/69/01/839666901.db2.gz SFTAUQKAONMICF-ZIAGYGMSSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001090601506 839666905 /nfs/dbraw/zinc/66/69/05/839666905.db2.gz SFTAUQKAONMICF-ZIAGYGMSSA-N 2 2 294.399 0.550 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[N@@H+](CC2CCC2)C[C@H]1O ZINC001090602365 839667825 /nfs/dbraw/zinc/66/78/25/839667825.db2.gz YPWMJLDXYJVZKC-ZIAGYGMSSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[N@H+](CC2CCC2)C[C@H]1O ZINC001090602365 839667828 /nfs/dbraw/zinc/66/78/28/839667828.db2.gz YPWMJLDXYJVZKC-ZIAGYGMSSA-N 2 2 292.383 0.304 20 0 CCADLP CC1(C)CC([NH2+][C@@H]2C[NH2+]C[C@@H]2CO)CC(C)(C)N1O ZINC001246306523 839779031 /nfs/dbraw/zinc/77/90/31/839779031.db2.gz KPXLMWNIPPRGRO-ZYHUDNBSSA-N 2 2 271.405 0.567 20 0 CCADLP CN(CCC1OCCO1)C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001160683515 840121722 /nfs/dbraw/zinc/12/17/22/840121722.db2.gz NGQVEWPNZZUVBK-CYBMUJFWSA-N 2 2 293.367 0.480 20 0 CCADLP CO[C@@H](C)C[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171239271 840174552 /nfs/dbraw/zinc/17/45/52/840174552.db2.gz ZSOFOBJUTZQZMA-NSHDSACASA-N 2 2 268.361 0.093 20 0 CCADLP CC[C@H](F)C[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171237438 840176056 /nfs/dbraw/zinc/17/60/56/840176056.db2.gz JXFIUPYTBSNJFA-NSHDSACASA-N 2 2 270.352 0.807 20 0 CCADLP CC(C)OCCC[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171243898 840186134 /nfs/dbraw/zinc/18/61/34/840186134.db2.gz FYBBLTDNWHEBOI-UHFFFAOYSA-N 2 2 296.415 0.874 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]C[C@@H]1CCOC1 ZINC001171244252 840186344 /nfs/dbraw/zinc/18/63/44/840186344.db2.gz KVSQQFAHEUYTRV-LBPRGKRZSA-N 2 2 280.372 0.095 20 0 CCADLP COC(=O)C[C@H]1CCCN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001160832145 840235810 /nfs/dbraw/zinc/23/58/10/840235810.db2.gz FZCBFPRWWLRLMB-ZYHUDNBSSA-N 2 2 294.355 0.081 20 0 CCADLP CCCC[C@H]1C[C@@H]([N@@H+]2CCN[C@H](C(=O)OC)C2)CC[NH2+]1 ZINC001246795853 840250314 /nfs/dbraw/zinc/25/03/14/840250314.db2.gz HRKOCSKSWYXCRM-IHRRRGAJSA-N 2 2 283.416 0.744 20 0 CCADLP CCCC[C@H]1C[C@@H]([N@H+]2CCN[C@H](C(=O)OC)C2)CC[NH2+]1 ZINC001246795853 840250327 /nfs/dbraw/zinc/25/03/27/840250327.db2.gz HRKOCSKSWYXCRM-IHRRRGAJSA-N 2 2 283.416 0.744 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CC[C@H]1CCOC1 ZINC001149124067 840524146 /nfs/dbraw/zinc/52/41/46/840524146.db2.gz PZWGKRAASGRSMU-LBPRGKRZSA-N 2 2 280.372 0.393 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)C[C@H]2CC[N@@H+](C)C2)o1 ZINC001147877879 840710615 /nfs/dbraw/zinc/71/06/15/840710615.db2.gz OPWOTYGKUKXYMB-GFCCVEGCSA-N 2 2 280.372 0.531 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)C[C@H]2CC[N@H+](C)C2)o1 ZINC001147877879 840710621 /nfs/dbraw/zinc/71/06/21/840710621.db2.gz OPWOTYGKUKXYMB-GFCCVEGCSA-N 2 2 280.372 0.531 20 0 CCADLP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]Cc2nncs2)C1 ZINC001147884142 840712866 /nfs/dbraw/zinc/71/28/66/840712866.db2.gz AJWQBRLLQKIVJT-SNVBAGLBSA-N 2 2 283.401 0.086 20 0 CCADLP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+]Cc2nncs2)C1 ZINC001147884142 840712878 /nfs/dbraw/zinc/71/28/78/840712878.db2.gz AJWQBRLLQKIVJT-SNVBAGLBSA-N 2 2 283.401 0.086 20 0 CCADLP CCN(C(=O)[C@H](CC(=O)OC(C)(C)C)[NH2+]C)C1C[NH+](C)C1 ZINC001161138008 840880306 /nfs/dbraw/zinc/88/03/06/840880306.db2.gz KTZUGTSDXMSOAL-LBPRGKRZSA-N 2 2 299.415 0.469 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@@H]2[C@@H](CC[N@H+]2CCO)C1 ZINC001036734303 841151339 /nfs/dbraw/zinc/15/13/39/841151339.db2.gz POFFADSGKORLJJ-GXTWGEPZSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCO)C1 ZINC001036734303 841151343 /nfs/dbraw/zinc/15/13/43/841151343.db2.gz POFFADSGKORLJJ-GXTWGEPZSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@@H]2[C@@H](CC[N@H+]2CCO)C1 ZINC001036734303 841151349 /nfs/dbraw/zinc/15/13/49/841151349.db2.gz POFFADSGKORLJJ-GXTWGEPZSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCO)C1 ZINC001036734303 841151354 /nfs/dbraw/zinc/15/13/54/841151354.db2.gz POFFADSGKORLJJ-GXTWGEPZSA-N 2 2 292.383 0.257 20 0 CCADLP COCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC001036909264 841686440 /nfs/dbraw/zinc/68/64/40/841686440.db2.gz BQWKNHJMBJJMAX-KGLIPLIRSA-N 2 2 292.383 0.452 20 0 CCADLP COCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC001036909264 841686446 /nfs/dbraw/zinc/68/64/46/841686446.db2.gz BQWKNHJMBJJMAX-KGLIPLIRSA-N 2 2 292.383 0.452 20 0 CCADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCO[C@H](C(N)=O)C1)C2 ZINC001172128093 841836126 /nfs/dbraw/zinc/83/61/26/841836126.db2.gz ONNNCBQDOMOKDH-LOWDOPEQSA-N 2 2 267.373 0.188 20 0 CCADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCO[C@H](C(N)=O)C1)C2 ZINC001172128093 841836133 /nfs/dbraw/zinc/83/61/33/841836133.db2.gz ONNNCBQDOMOKDH-LOWDOPEQSA-N 2 2 267.373 0.188 20 0 CCADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCO[C@H](C(N)=O)C1)C2 ZINC001172128093 841836137 /nfs/dbraw/zinc/83/61/37/841836137.db2.gz ONNNCBQDOMOKDH-LOWDOPEQSA-N 2 2 267.373 0.188 20 0 CCADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCO[C@H](C(N)=O)C1)C2 ZINC001172128093 841836147 /nfs/dbraw/zinc/83/61/47/841836147.db2.gz ONNNCBQDOMOKDH-LOWDOPEQSA-N 2 2 267.373 0.188 20 0 CCADLP C[C@@H](C[NH+]1CCCC1)[NH2+]C1C[C@@H]2COC[C@H](C1)N2C ZINC001172126527 841837042 /nfs/dbraw/zinc/83/70/42/841837042.db2.gz TYTBJRRVSQLYAT-AVOUXACISA-N 2 2 267.417 0.922 20 0 CCADLP CC[N@@H+]1CC[C@@H](N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC001173366095 842068383 /nfs/dbraw/zinc/06/83/83/842068383.db2.gz WJAMFHMUYQUNAF-KGLIPLIRSA-N 2 2 253.390 0.487 20 0 CCADLP CC[N@H+]1CC[C@@H](N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC001173366095 842068395 /nfs/dbraw/zinc/06/83/95/842068395.db2.gz WJAMFHMUYQUNAF-KGLIPLIRSA-N 2 2 253.390 0.487 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](C2CCN(CC(F)(F)F)CC2)CCO1 ZINC001173657728 842125163 /nfs/dbraw/zinc/12/51/63/842125163.db2.gz KAOJPDSMULJROS-NSHDSACASA-N 2 2 281.322 0.673 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](C2CCN(CC(F)(F)F)CC2)CCO1 ZINC001173657728 842125165 /nfs/dbraw/zinc/12/51/65/842125165.db2.gz KAOJPDSMULJROS-NSHDSACASA-N 2 2 281.322 0.673 20 0 CCADLP Cc1nc(C[NH2+]CCCNC(=O)Cc2[nH]c[nH+]c2C)co1 ZINC001174691381 842201086 /nfs/dbraw/zinc/20/10/86/842201086.db2.gz JQSWXLFHAJWQGS-UHFFFAOYSA-N 2 2 291.355 0.853 20 0 CCADLP CCc1nc(C[NH2+]CCCNC(=O)[C@@H]2CC[N@H+](C)C2)no1 ZINC001176072279 842307486 /nfs/dbraw/zinc/30/74/86/842307486.db2.gz NWEXPBWUUYUCBN-LLVKDONJSA-N 2 2 295.387 0.180 20 0 CCADLP CCc1nc(C[NH2+]CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)no1 ZINC001176072279 842307496 /nfs/dbraw/zinc/30/74/96/842307496.db2.gz NWEXPBWUUYUCBN-LLVKDONJSA-N 2 2 295.387 0.180 20 0 CCADLP O=C(NCCC[NH2+]CC1CC1)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001176674971 842398014 /nfs/dbraw/zinc/39/80/14/842398014.db2.gz BCOLXFQBTSSUQA-OAHLLOKOSA-N 2 2 295.427 0.603 20 0 CCADLP C[C@H](CCCC[NH2+]CCCO)NC(=O)Cn1cc[nH+]c1 ZINC001176825290 842413496 /nfs/dbraw/zinc/41/34/96/842413496.db2.gz YXDWSDGPATUUFT-CYBMUJFWSA-N 2 2 282.388 0.530 20 0 CCADLP C[NH+](C)C[C@@H]1COCCN1C(=O)CCn1cc[nH+]c1 ZINC001176877958 842438297 /nfs/dbraw/zinc/43/82/97/842438297.db2.gz QKLUJKCGCKFGEA-GFCCVEGCSA-N 2 2 266.345 0.062 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]CCOC1CCC1 ZINC001177405165 842578175 /nfs/dbraw/zinc/57/81/75/842578175.db2.gz LAVNCDMEXDIUCI-UHFFFAOYSA-N 2 2 280.372 0.548 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]C[C@@H]1CCOC1 ZINC001177411286 842585841 /nfs/dbraw/zinc/58/58/41/842585841.db2.gz BFURYLXULVLDSZ-LBPRGKRZSA-N 2 2 266.345 0.016 20 0 CCADLP CN(CC(=O)n1ccc(C[NH3+])cc1=N)c1cccc[nH+]1 ZINC001177414177 842585885 /nfs/dbraw/zinc/58/58/85/842585885.db2.gz VKPBTGCUKAOXIC-UHFFFAOYSA-N 2 2 271.324 0.598 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]C[C@H]1CCOC1 ZINC001177411285 842586055 /nfs/dbraw/zinc/58/60/55/842586055.db2.gz BFURYLXULVLDSZ-GFCCVEGCSA-N 2 2 266.345 0.016 20 0 CCADLP C[C@H](C(=O)NCCN1CCC[N@H+](C)CC1)n1cc[nH+]c1 ZINC001177926668 842703000 /nfs/dbraw/zinc/70/30/00/842703000.db2.gz HNCCAUHEMIMFER-CYBMUJFWSA-N 2 2 279.388 0.198 20 0 CCADLP C[C@H](C(=O)NCCN1CCC[N@@H+](C)CC1)n1cc[nH+]c1 ZINC001177926668 842703007 /nfs/dbraw/zinc/70/30/07/842703007.db2.gz HNCCAUHEMIMFER-CYBMUJFWSA-N 2 2 279.388 0.198 20 0 CCADLP C[C@H](C(=O)N1C[C@H]2C[C@@]2(C[NH+](C)C)C1)n1cc[nH+]c1 ZINC001177925801 842711658 /nfs/dbraw/zinc/71/16/58/842711658.db2.gz RENROFAGCZRUBC-YRGRVCCFSA-N 2 2 262.357 0.854 20 0 CCADLP C[N@@H+]1CCC[C@@](C)(NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001178000682 842722510 /nfs/dbraw/zinc/72/25/10/842722510.db2.gz ZZJPCDSKXNSMFU-CYBMUJFWSA-N 2 2 250.346 0.943 20 0 CCADLP C[N@H+]1CCC[C@@](C)(NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001178000682 842722517 /nfs/dbraw/zinc/72/25/17/842722517.db2.gz ZZJPCDSKXNSMFU-CYBMUJFWSA-N 2 2 250.346 0.943 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CCF)CCCO1 ZINC001150779258 842786774 /nfs/dbraw/zinc/78/67/74/842786774.db2.gz RFIRIROZCNROEE-CYBMUJFWSA-N 2 2 289.395 0.503 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CCF)CCCO1 ZINC001150779258 842786778 /nfs/dbraw/zinc/78/67/78/842786778.db2.gz RFIRIROZCNROEE-CYBMUJFWSA-N 2 2 289.395 0.503 20 0 CCADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CCF)CCCO1 ZINC001150779258 842786783 /nfs/dbraw/zinc/78/67/83/842786783.db2.gz RFIRIROZCNROEE-CYBMUJFWSA-N 2 2 289.395 0.503 20 0 CCADLP O=C(NCCCCCC[NH2+]CCO)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001178752205 842913255 /nfs/dbraw/zinc/91/32/55/842913255.db2.gz KPZWRFXWPSLWRS-CHWSQXEVSA-N 2 2 294.399 0.772 20 0 CCADLP O=C(NCCCCCC[NH2+]CCO)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001178752205 842913268 /nfs/dbraw/zinc/91/32/68/842913268.db2.gz KPZWRFXWPSLWRS-CHWSQXEVSA-N 2 2 294.399 0.772 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001179202842 842972429 /nfs/dbraw/zinc/97/24/29/842972429.db2.gz QSFZQAWNMSBZJI-STQMWFEESA-N 2 2 294.399 0.578 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)Nc2ccnn2-c2cc[nH+]cc2)C1 ZINC001180757510 843280539 /nfs/dbraw/zinc/28/05/39/843280539.db2.gz WJKICQQJKYGDKT-GFCCVEGCSA-N 2 2 287.323 0.536 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)Nc2ccnn2-c2cc[nH+]cc2)C1 ZINC001180757510 843280543 /nfs/dbraw/zinc/28/05/43/843280543.db2.gz WJKICQQJKYGDKT-GFCCVEGCSA-N 2 2 287.323 0.536 20 0 CCADLP COCC[NH+]1CCN(C(=O)C23CC[NH+](CC2)CC3)CC1 ZINC001181547795 843520021 /nfs/dbraw/zinc/52/00/21/843520021.db2.gz OJQPUWOODPQWGK-UHFFFAOYSA-N 2 2 281.400 0.263 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1)c1csnn1 ZINC001151066786 843630988 /nfs/dbraw/zinc/63/09/88/843630988.db2.gz YWSZKDMVHYBRCS-NXEZZACHSA-N 2 2 283.401 0.257 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1)c1csnn1 ZINC001151066786 843630990 /nfs/dbraw/zinc/63/09/90/843630990.db2.gz YWSZKDMVHYBRCS-NXEZZACHSA-N 2 2 283.401 0.257 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001182017859 843695287 /nfs/dbraw/zinc/69/52/87/843695287.db2.gz SIUKYINLVBIPSC-GXTWGEPZSA-N 2 2 281.400 0.165 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001182017859 843695289 /nfs/dbraw/zinc/69/52/89/843695289.db2.gz SIUKYINLVBIPSC-GXTWGEPZSA-N 2 2 281.400 0.165 20 0 CCADLP CCOc1cc(F)cc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206535514 843895701 /nfs/dbraw/zinc/89/57/01/843895701.db2.gz LCBWMQBFJICBQG-FZMZJTMJSA-N 2 2 268.332 0.976 20 0 CCADLP CCOc1cc(F)cc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206535514 843895705 /nfs/dbraw/zinc/89/57/05/843895705.db2.gz LCBWMQBFJICBQG-FZMZJTMJSA-N 2 2 268.332 0.976 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@]1(C)C[NH2+]CCO ZINC001183164929 843977465 /nfs/dbraw/zinc/97/74/65/843977465.db2.gz FVBQVFHXDAXQRM-IUODEOHRSA-N 2 2 294.399 0.029 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2nonc2C)C1 ZINC001187290901 844687542 /nfs/dbraw/zinc/68/75/42/844687542.db2.gz BPYSBKDSVPEPJP-GFCCVEGCSA-N 2 2 295.387 0.410 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2nonc2C)C1 ZINC001187290901 844687543 /nfs/dbraw/zinc/68/75/43/844687543.db2.gz BPYSBKDSVPEPJP-GFCCVEGCSA-N 2 2 295.387 0.410 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+]CCC[C@@H](C)O)C1 ZINC001187421241 844722273 /nfs/dbraw/zinc/72/22/73/844722273.db2.gz YWJVBIKPSAZDNJ-DGCLKSJQSA-N 2 2 294.399 0.612 20 0 CCADLP CCN(CC[NH2+]Cc1cnon1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001273547255 844750249 /nfs/dbraw/zinc/75/02/49/844750249.db2.gz YGXNDKTWISJVHG-GFCCVEGCSA-N 2 2 281.360 0.102 20 0 CCADLP CCN(CC[NH2+]Cc1cnon1)C(=O)[C@H]1CCC[N@H+]1C ZINC001273547255 844750255 /nfs/dbraw/zinc/75/02/55/844750255.db2.gz YGXNDKTWISJVHG-GFCCVEGCSA-N 2 2 281.360 0.102 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001188353700 844882348 /nfs/dbraw/zinc/88/23/48/844882348.db2.gz IECHNNIFMUAVAM-CHWSQXEVSA-N 2 2 280.372 0.235 20 0 CCADLP O=C(NCC[NH2+]CC1CC1)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001151813942 845217266 /nfs/dbraw/zinc/21/72/66/845217266.db2.gz BSGXVRUMOPWPBO-AWEZNQCLSA-N 2 2 281.400 0.213 20 0 CCADLP C[C@@H](O)C[N@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001273598521 845385194 /nfs/dbraw/zinc/38/51/94/845385194.db2.gz CXACFXCEEXBVSZ-GFCCVEGCSA-N 2 2 268.361 0.044 20 0 CCADLP C[C@@H](O)C[N@@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001273598521 845385200 /nfs/dbraw/zinc/38/52/00/845385200.db2.gz CXACFXCEEXBVSZ-GFCCVEGCSA-N 2 2 268.361 0.044 20 0 CCADLP COC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001190557095 845428617 /nfs/dbraw/zinc/42/86/17/845428617.db2.gz JMZQJTSSZDFCMC-OCCSQVGLSA-N 2 2 294.399 0.910 20 0 CCADLP COC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001190557095 845428620 /nfs/dbraw/zinc/42/86/20/845428620.db2.gz JMZQJTSSZDFCMC-OCCSQVGLSA-N 2 2 294.399 0.910 20 0 CCADLP COC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001190557095 845428623 /nfs/dbraw/zinc/42/86/23/845428623.db2.gz JMZQJTSSZDFCMC-OCCSQVGLSA-N 2 2 294.399 0.910 20 0 CCADLP COC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001190557095 845428626 /nfs/dbraw/zinc/42/86/26/845428626.db2.gz JMZQJTSSZDFCMC-OCCSQVGLSA-N 2 2 294.399 0.910 20 0 CCADLP CO[C@@H](C)C[N@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001191632082 845698334 /nfs/dbraw/zinc/69/83/34/845698334.db2.gz BPWRDOJTXIVHKH-KBPBESRZSA-N 2 2 294.399 0.841 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001191632082 845698341 /nfs/dbraw/zinc/69/83/41/845698341.db2.gz BPWRDOJTXIVHKH-KBPBESRZSA-N 2 2 294.399 0.841 20 0 CCADLP CO[C@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192552260 845868119 /nfs/dbraw/zinc/86/81/19/845868119.db2.gz YRIBDOZZVMXEDN-DGCLKSJQSA-N 2 2 280.372 0.520 20 0 CCADLP CO[C@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192552260 845868128 /nfs/dbraw/zinc/86/81/28/845868128.db2.gz YRIBDOZZVMXEDN-DGCLKSJQSA-N 2 2 280.372 0.520 20 0 CCADLP CCOCC[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194460687 846296203 /nfs/dbraw/zinc/29/62/03/846296203.db2.gz QEKMTSFGSTZVHO-ZDUSSCGKSA-N 2 2 280.372 0.452 20 0 CCADLP CCOCC[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194460687 846296213 /nfs/dbraw/zinc/29/62/13/846296213.db2.gz QEKMTSFGSTZVHO-ZDUSSCGKSA-N 2 2 280.372 0.452 20 0 CCADLP CCCn1cnc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)c1 ZINC001205690817 846487580 /nfs/dbraw/zinc/48/75/80/846487580.db2.gz XTZIZRRZLWNXRT-CQSZACIVSA-N 2 2 266.389 0.969 20 0 CCADLP CCCn1cnc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c1 ZINC001205690817 846487590 /nfs/dbraw/zinc/48/75/90/846487590.db2.gz XTZIZRRZLWNXRT-CQSZACIVSA-N 2 2 266.389 0.969 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@H]([NH2+]CCCO)C12CCC2 ZINC001203814304 846607268 /nfs/dbraw/zinc/60/72/68/846607268.db2.gz JMTGCIJPXGEGDE-QWHCGFSZSA-N 2 2 292.383 0.283 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CCC(C[NH2+]CCO)CC1 ZINC001205743457 846660453 /nfs/dbraw/zinc/66/04/53/846660453.db2.gz GUXDSPUTRQUQEV-UHFFFAOYSA-N 2 2 294.399 0.173 20 0 CCADLP C[C@@H](CC(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O)n1cc[nH+]c1 ZINC001196501362 846767913 /nfs/dbraw/zinc/76/79/13/846767913.db2.gz XPRDQIXBFXUWCR-IACUBPJLSA-N 2 2 292.383 0.406 20 0 CCADLP C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O)n1cc[nH+]c1 ZINC001196501362 846767919 /nfs/dbraw/zinc/76/79/19/846767919.db2.gz XPRDQIXBFXUWCR-IACUBPJLSA-N 2 2 292.383 0.406 20 0 CCADLP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001199119748 847225830 /nfs/dbraw/zinc/22/58/30/847225830.db2.gz SNVVYXBOFVEQJS-KFWWJZLASA-N 2 2 291.395 0.471 20 0 CCADLP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001199119748 847225842 /nfs/dbraw/zinc/22/58/42/847225842.db2.gz SNVVYXBOFVEQJS-KFWWJZLASA-N 2 2 291.395 0.471 20 0 CCADLP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1OC ZINC001205946077 847898154 /nfs/dbraw/zinc/89/81/54/847898154.db2.gz IDCVOPFWAZYMAL-VXGBXAGGSA-N 2 2 266.341 0.598 20 0 CCADLP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1OC ZINC001205946077 847898164 /nfs/dbraw/zinc/89/81/64/847898164.db2.gz IDCVOPFWAZYMAL-VXGBXAGGSA-N 2 2 266.341 0.598 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]Cc1cccc(Cl)n1 ZINC001153487768 848011323 /nfs/dbraw/zinc/01/13/23/848011323.db2.gz NQPUAFKHBHBILN-UHFFFAOYSA-N 2 2 293.758 0.838 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)CC[NH2+]CC1CC1 ZINC000717190876 848169623 /nfs/dbraw/zinc/16/96/23/848169623.db2.gz LXBSVYPFPRIHNX-LBPRGKRZSA-N 2 2 269.389 0.213 20 0 CCADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@H](O)c1cc(F)ccc1F ZINC000717316574 848227378 /nfs/dbraw/zinc/22/73/78/848227378.db2.gz LCLZUTZFDRDZRI-GWCFXTLKSA-N 2 2 274.311 0.510 20 0 CCADLP COCC[NH2+]C/C=C/CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001274132814 848357088 /nfs/dbraw/zinc/35/70/88/848357088.db2.gz DMELHMFNVADMTF-IBUXWKBASA-N 2 2 292.383 0.354 20 0 CCADLP OC[C@H](CC(F)(F)F)[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000717817477 848503517 /nfs/dbraw/zinc/50/35/17/848503517.db2.gz HZSUAZOKIRQHGZ-OKDNFBLISA-N 2 2 264.291 0.886 20 0 CCADLP COCCC[N@@H+]1CC[C@H]2CN(CCn3cc[nH+]c3)C[C@H]21 ZINC001274939783 848594155 /nfs/dbraw/zinc/59/41/55/848594155.db2.gz OCFFPMMJSWTDAM-LSDHHAIUSA-N 2 2 278.400 0.926 20 0 CCADLP COCCC[N@H+]1CC[C@H]2CN(CCn3cc[nH+]c3)C[C@H]21 ZINC001274939783 848594162 /nfs/dbraw/zinc/59/41/62/848594162.db2.gz OCFFPMMJSWTDAM-LSDHHAIUSA-N 2 2 278.400 0.926 20 0 CCADLP COCCC[N@@H+]1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001274939569 848594235 /nfs/dbraw/zinc/59/42/35/848594235.db2.gz NPMKJHPJWCXYSB-GJZGRUSLSA-N 2 2 294.399 0.305 20 0 CCADLP COCCC[N@H+]1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001274939569 848594239 /nfs/dbraw/zinc/59/42/39/848594239.db2.gz NPMKJHPJWCXYSB-GJZGRUSLSA-N 2 2 294.399 0.305 20 0 CCADLP COCCC[N@@H+]1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001274940177 848595734 /nfs/dbraw/zinc/59/57/34/848595734.db2.gz XBKGIKHIMKINSC-GASCZTMLSA-N 2 2 294.399 0.305 20 0 CCADLP COCCC[N@H+]1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001274940177 848595737 /nfs/dbraw/zinc/59/57/37/848595737.db2.gz XBKGIKHIMKINSC-GASCZTMLSA-N 2 2 294.399 0.305 20 0 CCADLP C[C@@H](O)CCC[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001275045991 848619456 /nfs/dbraw/zinc/61/94/56/848619456.db2.gz MVRMLBHQCKEIII-VXGBXAGGSA-N 2 2 268.361 0.138 20 0 CCADLP CC(C)C[N@@H+]1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001275055946 848622240 /nfs/dbraw/zinc/62/22/40/848622240.db2.gz MORZGYTXSVWWDE-GASCZTMLSA-N 2 2 278.400 0.924 20 0 CCADLP CC(C)C[N@H+]1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001275055946 848622244 /nfs/dbraw/zinc/62/22/44/848622244.db2.gz MORZGYTXSVWWDE-GASCZTMLSA-N 2 2 278.400 0.924 20 0 CCADLP C[C@H]1C[C@@H]1C[N@@H+]1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001276034166 848899331 /nfs/dbraw/zinc/89/93/31/848899331.db2.gz XWIDYGQXSQXGQK-FZKCQIBNSA-N 2 2 290.411 0.924 20 0 CCADLP C[C@H]1C[C@@H]1C[N@H+]1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001276034166 848899334 /nfs/dbraw/zinc/89/93/34/848899334.db2.gz XWIDYGQXSQXGQK-FZKCQIBNSA-N 2 2 290.411 0.924 20 0 CCADLP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1cnco1)C2 ZINC001276161060 848943800 /nfs/dbraw/zinc/94/38/00/848943800.db2.gz BTPUUKIFJMSBRE-UHFFFAOYSA-N 2 2 250.346 0.354 20 0 CCADLP Cc1nc(N(C)CCCNC(=O)C[NH+]2CCCC2)cc[nH+]1 ZINC001095560556 848987961 /nfs/dbraw/zinc/98/79/61/848987961.db2.gz NCRXZGGGGNBESR-UHFFFAOYSA-N 2 2 291.399 0.823 20 0 CCADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCF ZINC001111151526 849080391 /nfs/dbraw/zinc/08/03/91/849080391.db2.gz DHIMKMNBANGVQB-MCIONIFRSA-N 2 2 299.390 0.400 20 0 CCADLP O=C(CC[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCF ZINC001111151526 849080398 /nfs/dbraw/zinc/08/03/98/849080398.db2.gz DHIMKMNBANGVQB-MCIONIFRSA-N 2 2 299.390 0.400 20 0 CCADLP COc1c(C)c[nH+]c(CN2CC[N@H+](C)[C@@H](CO)C2)c1C ZINC000687589484 849111236 /nfs/dbraw/zinc/11/12/36/849111236.db2.gz QLODFVHKQSTHHS-CYBMUJFWSA-N 2 2 279.384 0.815 20 0 CCADLP COc1c(C)c[nH+]c(CN2CC[N@@H+](C)[C@@H](CO)C2)c1C ZINC000687589484 849111244 /nfs/dbraw/zinc/11/12/44/849111244.db2.gz QLODFVHKQSTHHS-CYBMUJFWSA-N 2 2 279.384 0.815 20 0 CCADLP CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001037178750 849375383 /nfs/dbraw/zinc/37/53/83/849375383.db2.gz MYXDDJQADPRLGI-VXGBXAGGSA-N 2 2 250.346 0.778 20 0 CCADLP CC(C)OC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000720366107 849420130 /nfs/dbraw/zinc/42/01/30/849420130.db2.gz HVRDDEDZEULJFL-MGPQQGTHSA-N 2 2 256.390 0.941 20 0 CCADLP CC(C)OC[C@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000720366107 849420134 /nfs/dbraw/zinc/42/01/34/849420134.db2.gz HVRDDEDZEULJFL-MGPQQGTHSA-N 2 2 256.390 0.941 20 0 CCADLP CC(C)OC[C@H](O)C[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000720366107 849420140 /nfs/dbraw/zinc/42/01/40/849420140.db2.gz HVRDDEDZEULJFL-MGPQQGTHSA-N 2 2 256.390 0.941 20 0 CCADLP CC(C)OC[C@H](O)C[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000720366107 849420146 /nfs/dbraw/zinc/42/01/46/849420146.db2.gz HVRDDEDZEULJFL-MGPQQGTHSA-N 2 2 256.390 0.941 20 0 CCADLP C[NH+](C)CCN1CCC2(C[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001276356556 849445807 /nfs/dbraw/zinc/44/58/07/849445807.db2.gz XVTZMJLDIBDKSE-UHFFFAOYSA-N 2 2 290.411 0.857 20 0 CCADLP COCCOC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000720482500 849473775 /nfs/dbraw/zinc/47/37/75/849473775.db2.gz RGVRRCUJHBIQBJ-RDBSUJKOSA-N 2 2 272.389 0.179 20 0 CCADLP COCCOC[C@H](O)C[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000720482500 849473778 /nfs/dbraw/zinc/47/37/78/849473778.db2.gz RGVRRCUJHBIQBJ-RDBSUJKOSA-N 2 2 272.389 0.179 20 0 CCADLP COCCOC[C@H](O)C[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000720482500 849473782 /nfs/dbraw/zinc/47/37/82/849473782.db2.gz RGVRRCUJHBIQBJ-RDBSUJKOSA-N 2 2 272.389 0.179 20 0 CCADLP COCCOC[C@H](O)C[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000720482500 849473785 /nfs/dbraw/zinc/47/37/85/849473785.db2.gz RGVRRCUJHBIQBJ-RDBSUJKOSA-N 2 2 272.389 0.179 20 0 CCADLP CCC[NH+]1CCC([NH2+]CCC[NH+](CCO)CCO)CC1 ZINC001258764884 849550232 /nfs/dbraw/zinc/55/02/32/849550232.db2.gz TZFNQZQKBLYSMT-UHFFFAOYSA-N 3 2 287.448 0.127 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+]2CCCF)C1 ZINC001039046231 850137204 /nfs/dbraw/zinc/13/72/04/850137204.db2.gz LGEFBVFZZDUWBD-OLZOCXBDSA-N 2 2 287.379 0.257 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH+]2CCCF)C1 ZINC001039046231 850137207 /nfs/dbraw/zinc/13/72/07/850137207.db2.gz LGEFBVFZZDUWBD-OLZOCXBDSA-N 2 2 287.379 0.257 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCCF)C1 ZINC001039046231 850137210 /nfs/dbraw/zinc/13/72/10/850137210.db2.gz LGEFBVFZZDUWBD-OLZOCXBDSA-N 2 2 287.379 0.257 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CC[N@H+]2CCCF)C1 ZINC001039046231 850137212 /nfs/dbraw/zinc/13/72/12/850137212.db2.gz LGEFBVFZZDUWBD-OLZOCXBDSA-N 2 2 287.379 0.257 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000724312594 850197743 /nfs/dbraw/zinc/19/77/43/850197743.db2.gz DVXIYPWQIMAXME-ZZIFITQXSA-N 2 2 272.414 0.825 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@]3(CC[NH+](CCF)C3)C2)C1 ZINC001041168808 850390870 /nfs/dbraw/zinc/39/08/70/850390870.db2.gz WWEOYMLNRDQPPL-DZGCQCFKSA-N 2 2 299.390 0.211 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@@]3(CC[NH+](CCF)C3)C2)C1 ZINC001041168808 850390876 /nfs/dbraw/zinc/39/08/76/850390876.db2.gz WWEOYMLNRDQPPL-DZGCQCFKSA-N 2 2 299.390 0.211 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@@]3(CC[N@H+](CCF)C3)C2)C1 ZINC001041168808 850390882 /nfs/dbraw/zinc/39/08/82/850390882.db2.gz WWEOYMLNRDQPPL-DZGCQCFKSA-N 2 2 299.390 0.211 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@@]3(CC[N@@H+](CCF)C3)C2)C1 ZINC001041168808 850390888 /nfs/dbraw/zinc/39/08/88/850390888.db2.gz WWEOYMLNRDQPPL-DZGCQCFKSA-N 2 2 299.390 0.211 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@]3(CC[NH+](CCF)C3)C2)C1 ZINC001041168810 850391540 /nfs/dbraw/zinc/39/15/40/850391540.db2.gz WWEOYMLNRDQPPL-UKRRQHHQSA-N 2 2 299.390 0.211 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@]3(CC[NH+](CCF)C3)C2)C1 ZINC001041168810 850391553 /nfs/dbraw/zinc/39/15/53/850391553.db2.gz WWEOYMLNRDQPPL-UKRRQHHQSA-N 2 2 299.390 0.211 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@@]3(CC[N@H+](CCF)C3)C2)C1 ZINC001041168810 850391564 /nfs/dbraw/zinc/39/15/64/850391564.db2.gz WWEOYMLNRDQPPL-UKRRQHHQSA-N 2 2 299.390 0.211 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@@]3(CC[N@@H+](CCF)C3)C2)C1 ZINC001041168810 850391576 /nfs/dbraw/zinc/39/15/76/850391576.db2.gz WWEOYMLNRDQPPL-UKRRQHHQSA-N 2 2 299.390 0.211 20 0 CCADLP CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001041855588 850511372 /nfs/dbraw/zinc/51/13/72/850511372.db2.gz LEEWTPUOGDGNIW-CQSZACIVSA-N 2 2 262.357 0.827 20 0 CCADLP CC[N@H+]1CC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001041855588 850511380 /nfs/dbraw/zinc/51/13/80/850511380.db2.gz LEEWTPUOGDGNIW-CQSZACIVSA-N 2 2 262.357 0.827 20 0 CCADLP CC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001042917568 850780402 /nfs/dbraw/zinc/78/04/02/850780402.db2.gz JTOKZMRWWLIHHQ-OAHLLOKOSA-N 2 2 295.427 0.792 20 0 CCADLP CC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001042917568 850780405 /nfs/dbraw/zinc/78/04/05/850780405.db2.gz JTOKZMRWWLIHHQ-OAHLLOKOSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2C[NH+](CC3CC3)C2)O1 ZINC001043067771 850806514 /nfs/dbraw/zinc/80/65/14/850806514.db2.gz PVBGIHTUUUOGAB-BXUZGUMPSA-N 2 2 281.400 0.258 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2C[NH+](CC3CC3)C2)O1 ZINC001043067771 850806523 /nfs/dbraw/zinc/80/65/23/850806523.db2.gz PVBGIHTUUUOGAB-BXUZGUMPSA-N 2 2 281.400 0.258 20 0 CCADLP C[C@H]1CC[C@@H](C[NH+]2CC(N(C)C(=O)C[NH+]3CCCC3)C2)O1 ZINC001044295290 851067884 /nfs/dbraw/zinc/06/78/84/851067884.db2.gz QSVMDKVZYQVDTA-ZFWWWQNUSA-N 2 2 295.427 0.792 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+](CCCO)C1 ZINC001044337302 851079880 /nfs/dbraw/zinc/07/98/80/851079880.db2.gz SNKXVPXFOVYCTL-CQSZACIVSA-N 2 2 283.416 0.386 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+](CCCO)C1 ZINC001044337302 851079885 /nfs/dbraw/zinc/07/98/85/851079885.db2.gz SNKXVPXFOVYCTL-CQSZACIVSA-N 2 2 283.416 0.386 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+](C[C@H](C)O)C1 ZINC001044336779 851081131 /nfs/dbraw/zinc/08/11/31/851081131.db2.gz VXVSBAJOIMSRDX-GXTWGEPZSA-N 2 2 283.416 0.384 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+](C[C@H](C)O)C1 ZINC001044336779 851081136 /nfs/dbraw/zinc/08/11/36/851081136.db2.gz VXVSBAJOIMSRDX-GXTWGEPZSA-N 2 2 283.416 0.384 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC001044807017 851161960 /nfs/dbraw/zinc/16/19/60/851161960.db2.gz LQJBBDPLKHNXNA-QWRGUYRKSA-N 2 2 250.346 0.941 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCF)CCN1C(=O)Cc1c[nH+]cn1C ZINC001044820820 851165177 /nfs/dbraw/zinc/16/51/77/851165177.db2.gz RWGGOWMGOWYNCV-NWDGAFQWSA-N 2 2 282.363 0.901 20 0 CCADLP CC(C)C[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001045397480 851249886 /nfs/dbraw/zinc/24/98/86/851249886.db2.gz DCUSYJVBDBXHJC-CQSZACIVSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)C[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001045397480 851249893 /nfs/dbraw/zinc/24/98/93/851249893.db2.gz DCUSYJVBDBXHJC-CQSZACIVSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047646627 851845073 /nfs/dbraw/zinc/84/50/73/851845073.db2.gz KPBZQZJLSOXWRG-STQMWFEESA-N 2 2 280.372 0.043 20 0 CCADLP CC(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047646627 851845083 /nfs/dbraw/zinc/84/50/83/851845083.db2.gz KPBZQZJLSOXWRG-STQMWFEESA-N 2 2 280.372 0.043 20 0 CCADLP CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001048489299 851963181 /nfs/dbraw/zinc/96/31/81/851963181.db2.gz JYUBXXZDGNBOQI-RYUDHWBXSA-N 2 2 250.346 0.587 20 0 CCADLP CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@H]2C1 ZINC001048905186 852104738 /nfs/dbraw/zinc/10/47/38/852104738.db2.gz AZJBKNHBQWZXNI-MCIONIFRSA-N 2 2 288.395 0.856 20 0 CCADLP CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@H]2C1 ZINC001048905186 852104745 /nfs/dbraw/zinc/10/47/45/852104745.db2.gz AZJBKNHBQWZXNI-MCIONIFRSA-N 2 2 288.395 0.856 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001049751349 852366126 /nfs/dbraw/zinc/36/61/26/852366126.db2.gz UBAUCLRUDLFOMP-FPMFFAJLSA-N 2 2 292.383 0.398 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001049751349 852366132 /nfs/dbraw/zinc/36/61/32/852366132.db2.gz UBAUCLRUDLFOMP-FPMFFAJLSA-N 2 2 292.383 0.398 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCO ZINC001049751341 852367039 /nfs/dbraw/zinc/36/70/39/852367039.db2.gz TZBUMUOMWORHEX-CHWSQXEVSA-N 2 2 278.356 0.010 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCO ZINC001049751341 852367046 /nfs/dbraw/zinc/36/70/46/852367046.db2.gz TZBUMUOMWORHEX-CHWSQXEVSA-N 2 2 278.356 0.010 20 0 CCADLP CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001096914015 852467300 /nfs/dbraw/zinc/46/73/00/852467300.db2.gz CNRQQGYLJMPCFP-NDBYEHHHSA-N 2 2 267.373 0.058 20 0 CCADLP CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001096914015 852467301 /nfs/dbraw/zinc/46/73/01/852467301.db2.gz CNRQQGYLJMPCFP-NDBYEHHHSA-N 2 2 267.373 0.058 20 0 CCADLP CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001096914015 852467293 /nfs/dbraw/zinc/46/72/93/852467293.db2.gz CNRQQGYLJMPCFP-NDBYEHHHSA-N 2 2 267.373 0.058 20 0 CCADLP CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](C)CCO1)C2 ZINC001096914015 852467297 /nfs/dbraw/zinc/46/72/97/852467297.db2.gz CNRQQGYLJMPCFP-NDBYEHHHSA-N 2 2 267.373 0.058 20 0 CCADLP COC[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052750934 852651232 /nfs/dbraw/zinc/65/12/32/852651232.db2.gz 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/nfs/dbraw/zinc/13/57/67/907135767.db2.gz KIMRVSOKFDCTAY-YPMHNXCESA-N 2 2 280.372 0.304 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC(=O)NC ZINC001381645861 907349727 /nfs/dbraw/zinc/34/97/27/907349727.db2.gz RUZJLMZDTPWHOR-OLZOCXBDSA-N 2 2 298.431 0.043 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC(=O)NC ZINC001381645861 907349748 /nfs/dbraw/zinc/34/97/48/907349748.db2.gz RUZJLMZDTPWHOR-OLZOCXBDSA-N 2 2 298.431 0.043 20 0 CCADLP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC ZINC001381645861 907349770 /nfs/dbraw/zinc/34/97/70/907349770.db2.gz RUZJLMZDTPWHOR-OLZOCXBDSA-N 2 2 298.431 0.043 20 0 CCADLP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC ZINC001381645861 907349790 /nfs/dbraw/zinc/34/97/90/907349790.db2.gz RUZJLMZDTPWHOR-OLZOCXBDSA-N 2 2 298.431 0.043 20 0 CCADLP CC(C)OCC[NH+]1CC([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001381807427 907407994 /nfs/dbraw/zinc/40/79/94/907407994.db2.gz PTMHLMNQVWQAEX-GFCCVEGCSA-N 2 2 294.399 0.814 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C(C)C)[nH]1 ZINC001382165660 907582075 /nfs/dbraw/zinc/58/20/75/907582075.db2.gz MEFZCNJIBPUDHL-NSHDSACASA-N 2 2 296.419 0.390 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)C(C)C)[nH]1 ZINC001382165660 907582082 /nfs/dbraw/zinc/58/20/82/907582082.db2.gz MEFZCNJIBPUDHL-NSHDSACASA-N 2 2 296.419 0.390 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@@H](C[NH2+]CCCO)C1 ZINC001491821308 907588917 /nfs/dbraw/zinc/58/89/17/907588917.db2.gz NXBAIACMOCZOJY-ZDUSSCGKSA-N 2 2 294.399 0.173 20 0 CCADLP C[C@H](O)CCC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001491858891 907609489 /nfs/dbraw/zinc/60/94/89/907609489.db2.gz MDOSXXDMDMLCDC-KBPBESRZSA-N 2 2 294.399 0.482 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NC[C@H](CO)[NH2+]C(C)C ZINC001382213789 907621962 /nfs/dbraw/zinc/62/19/62/907621962.db2.gz OJXQOXXABPLJPH-GFCCVEGCSA-N 2 2 281.356 0.108 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCO)C1 ZINC001491883313 907623934 /nfs/dbraw/zinc/62/39/34/907623934.db2.gz NYFNCIAZAPYKEP-CHWSQXEVSA-N 2 2 294.399 0.362 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCC[C@@H](C)[NH2+]C[C@@H](C)O)c[nH+]1 ZINC001492040997 907682203 /nfs/dbraw/zinc/68/22/03/907682203.db2.gz AMBQSJRBZGBVGL-DGCLKSJQSA-N 2 2 296.415 0.792 20 0 CCADLP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1csnn1 ZINC001492132661 907736446 /nfs/dbraw/zinc/73/64/46/907736446.db2.gz FMHOQPJVBYRMCH-SNVBAGLBSA-N 2 2 294.384 0.419 20 0 CCADLP CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001382466601 907756882 /nfs/dbraw/zinc/75/68/82/907756882.db2.gz CGICUYMAHYFLDD-AAEUAGOBSA-N 2 2 282.388 0.359 20 0 CCADLP CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001382466601 907756892 /nfs/dbraw/zinc/75/68/92/907756892.db2.gz CGICUYMAHYFLDD-AAEUAGOBSA-N 2 2 282.388 0.359 20 0 CCADLP CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001382466601 907756899 /nfs/dbraw/zinc/75/68/99/907756899.db2.gz CGICUYMAHYFLDD-AAEUAGOBSA-N 2 2 282.388 0.359 20 0 CCADLP CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001382466601 907756909 /nfs/dbraw/zinc/75/69/09/907756909.db2.gz CGICUYMAHYFLDD-AAEUAGOBSA-N 2 2 282.388 0.359 20 0 CCADLP C[C@@H]1C[C@@H](C)N(C(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC001336963235 908034786 /nfs/dbraw/zinc/03/47/86/908034786.db2.gz KFXDCQGOJJHPFG-VXGBXAGGSA-N 2 2 268.405 0.849 20 0 CCADLP CC[N@@H+]1CC[C@H]1C(=O)N[C@H]1C[NH+](CC)CC1(C)C ZINC001304043673 908137115 /nfs/dbraw/zinc/13/71/15/908137115.db2.gz YKBVWKRTPHNNRI-RYUDHWBXSA-N 2 2 253.390 0.927 20 0 CCADLP CC[N@H+]1CC[C@H]1C(=O)N[C@H]1C[NH+](CC)CC1(C)C ZINC001304043673 908137118 /nfs/dbraw/zinc/13/71/18/908137118.db2.gz YKBVWKRTPHNNRI-RYUDHWBXSA-N 2 2 253.390 0.927 20 0 CCADLP CC[NH+]1CC[C@H]1C(=O)N[C@H]1C[N@H+](CC)CC1(C)C ZINC001304043673 908137123 /nfs/dbraw/zinc/13/71/23/908137123.db2.gz YKBVWKRTPHNNRI-RYUDHWBXSA-N 2 2 253.390 0.927 20 0 CCADLP CC[NH+]1CC[C@H]1C(=O)N[C@H]1C[N@@H+](CC)CC1(C)C ZINC001304043673 908137125 /nfs/dbraw/zinc/13/71/25/908137125.db2.gz YKBVWKRTPHNNRI-RYUDHWBXSA-N 2 2 253.390 0.927 20 0 CCADLP COCC[N@H+](C)CCNCc1c[nH+]ccc1N(C)C ZINC001308236614 908400905 /nfs/dbraw/zinc/40/09/05/908400905.db2.gz MYDRMLZWZVLVGP-UHFFFAOYSA-N 2 2 266.389 0.815 20 0 CCADLP COCC[N@@H+](C)CCNCc1c[nH+]ccc1N(C)C ZINC001308236614 908400912 /nfs/dbraw/zinc/40/09/12/908400912.db2.gz MYDRMLZWZVLVGP-UHFFFAOYSA-N 2 2 266.389 0.815 20 0 CCADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)NC3=O)n1C ZINC001308749801 908431279 /nfs/dbraw/zinc/43/12/79/908431279.db2.gz FGRFFGKAISJJCW-IINYFYTJSA-N 2 2 291.355 0.196 20 0 CCADLP CC(C)OCC[NH2+][C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001317273012 909107952 /nfs/dbraw/zinc/10/79/52/909107952.db2.gz SYULCTYHBWIGDE-NSHDSACASA-N 2 2 268.361 0.472 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCc1c[nH+]cn1C ZINC001388662028 909540076 /nfs/dbraw/zinc/54/00/76/909540076.db2.gz YMOHFDVHUPRVMN-TZMCWYRMSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCc1c[nH+]cn1C ZINC001388662028 909540085 /nfs/dbraw/zinc/54/00/85/909540085.db2.gz YMOHFDVHUPRVMN-TZMCWYRMSA-N 2 2 294.399 0.266 20 0 CCADLP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1)[NH+](CC)CC ZINC001389381489 909864538 /nfs/dbraw/zinc/86/45/38/909864538.db2.gz BLGGRHMTOQLXCQ-STQMWFEESA-N 2 2 298.431 0.173 20 0 CCADLP CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1)[NH+](CC)CC ZINC001389381489 909864553 /nfs/dbraw/zinc/86/45/53/909864553.db2.gz BLGGRHMTOQLXCQ-STQMWFEESA-N 2 2 298.431 0.173 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001389972527 910168465 /nfs/dbraw/zinc/16/84/65/910168465.db2.gz CYMZMKSNEWNPKB-RTXFEEFZSA-N 2 2 280.372 0.614 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001389972527 910168482 /nfs/dbraw/zinc/16/84/82/910168482.db2.gz CYMZMKSNEWNPKB-RTXFEEFZSA-N 2 2 280.372 0.614 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H](C[NH2+]CCO)C1CCCCC1 ZINC001319661959 910246794 /nfs/dbraw/zinc/24/67/94/910246794.db2.gz GUSHSQGURRZAOD-CQSZACIVSA-N 2 2 294.399 0.599 20 0 CCADLP C[C@@H](O)C[NH2+]CC[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001319779849 910293227 /nfs/dbraw/zinc/29/32/27/910293227.db2.gz WKGNGNCMESVHKK-TZMCWYRMSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1cnns1 ZINC001390454128 910432824 /nfs/dbraw/zinc/43/28/24/910432824.db2.gz HCYFVOKDZCWBPU-JTQLQIEISA-N 2 2 294.384 0.419 20 0 CCADLP Cc1cc(C[NH2+][C@@H](C)CNC(=O)Cc2c[nH+]cn2C)on1 ZINC001390504085 910477907 /nfs/dbraw/zinc/47/79/07/910477907.db2.gz GCTKSXMFCIACNJ-NSHDSACASA-N 2 2 291.355 0.554 20 0 CCADLP C[C@H](CCNC(=O)Cc1cn2c([nH+]1)CCCC2)[NH2+]CCO ZINC001390658200 910575841 /nfs/dbraw/zinc/57/58/41/910575841.db2.gz SBVNSRLOCNPRQM-GFCCVEGCSA-N 2 2 294.399 0.239 20 0 CCADLP Cc1nccnc1C[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001390861715 910743499 /nfs/dbraw/zinc/74/34/99/910743499.db2.gz QQQVIZHCSDGIFC-UHFFFAOYSA-N 2 2 291.399 0.429 20 0 CCADLP Cc1nccnc1C[N@@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001390861715 910743517 /nfs/dbraw/zinc/74/35/17/910743517.db2.gz QQQVIZHCSDGIFC-UHFFFAOYSA-N 2 2 291.399 0.429 20 0 CCADLP C[N@H+](CCNC(=O)Cn1cc[nH+]c1)C[C@H]1CCCOC1 ZINC001390876869 910756524 /nfs/dbraw/zinc/75/65/24/910756524.db2.gz YBZHJEJPEBZLJB-CYBMUJFWSA-N 2 2 280.372 0.358 20 0 CCADLP C[N@@H+](CCNC(=O)Cn1cc[nH+]c1)C[C@H]1CCCOC1 ZINC001390876869 910756546 /nfs/dbraw/zinc/75/65/46/910756546.db2.gz YBZHJEJPEBZLJB-CYBMUJFWSA-N 2 2 280.372 0.358 20 0 CCADLP CC[N@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)C[C@H](C)O ZINC001390921436 910777908 /nfs/dbraw/zinc/77/79/08/910777908.db2.gz BOZDEXYGPCCOJX-NSHDSACASA-N 2 2 290.367 0.995 20 0 CCADLP CC[N@@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)C[C@H](C)O ZINC001390921436 910777922 /nfs/dbraw/zinc/77/79/22/910777922.db2.gz BOZDEXYGPCCOJX-NSHDSACASA-N 2 2 290.367 0.995 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001391096393 910873614 /nfs/dbraw/zinc/87/36/14/910873614.db2.gz LDOLKXSHWDHBQD-KGLIPLIRSA-N 2 2 294.399 0.746 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001391096393 910873632 /nfs/dbraw/zinc/87/36/32/910873632.db2.gz LDOLKXSHWDHBQD-KGLIPLIRSA-N 2 2 294.399 0.746 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001391096386 910878502 /nfs/dbraw/zinc/87/85/02/910878502.db2.gz LDOLKXSHWDHBQD-KBPBESRZSA-N 2 2 294.399 0.746 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001391096386 910878509 /nfs/dbraw/zinc/87/85/09/910878509.db2.gz LDOLKXSHWDHBQD-KBPBESRZSA-N 2 2 294.399 0.746 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001391102360 910879730 /nfs/dbraw/zinc/87/97/30/910879730.db2.gz OKUVAJQTTYHAEL-NEPJUHHUSA-N 2 2 280.372 0.425 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001391102360 910879746 /nfs/dbraw/zinc/87/97/46/910879746.db2.gz OKUVAJQTTYHAEL-NEPJUHHUSA-N 2 2 280.372 0.425 20 0 CCADLP CC[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2cnon2)C1)[NH+](C)C ZINC001391115706 910889893 /nfs/dbraw/zinc/88/98/93/910889893.db2.gz VWVOFFGBPBOYSB-YPMHNXCESA-N 2 2 295.387 0.348 20 0 CCADLP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](Cc2cnon2)C1)[NH+](C)C ZINC001391115706 910889896 /nfs/dbraw/zinc/88/98/96/910889896.db2.gz VWVOFFGBPBOYSB-YPMHNXCESA-N 2 2 295.387 0.348 20 0 CCADLP CC[C@@H](C(=O)N(CC)CC[NH2+]Cc1cnsn1)[NH+](C)C ZINC001320901034 910927038 /nfs/dbraw/zinc/92/70/38/910927038.db2.gz KTJSCPFWOQBDAD-LBPRGKRZSA-N 2 2 299.444 0.816 20 0 CCADLP CCN(CC[NH2+]C[C@@H](C)O)C(=O)CCc1c[nH+]cn1C ZINC001320913558 910936045 /nfs/dbraw/zinc/93/60/45/910936045.db2.gz QUYXYRBLOOSQCO-GFCCVEGCSA-N 2 2 282.388 0.172 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[C@H]1CC[N@@H+](CCCO)C1 ZINC001391328250 911040453 /nfs/dbraw/zinc/04/04/53/911040453.db2.gz KCVYVZMDPAUFHC-LBPRGKRZSA-N 2 2 280.372 0.163 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[C@H]1CC[N@H+](CCCO)C1 ZINC001391328250 911040473 /nfs/dbraw/zinc/04/04/73/911040473.db2.gz KCVYVZMDPAUFHC-LBPRGKRZSA-N 2 2 280.372 0.163 20 0 CCADLP C[NH+](C)CCC(=O)NC/C=C/C[NH2+]Cc1ncccn1 ZINC001321221089 911173900 /nfs/dbraw/zinc/17/39/00/911173900.db2.gz FNSAYGBJVUWCAH-ONEGZZNKSA-N 2 2 277.372 0.190 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001392119704 911589793 /nfs/dbraw/zinc/58/97/93/911589793.db2.gz BIMSYYYOSUYADE-GHMZBOCLSA-N 2 2 282.388 0.732 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H](C)C[NH2+]C[C@@H]1CCOC1 ZINC001392128627 911592330 /nfs/dbraw/zinc/59/23/30/911592330.db2.gz VCZNXGBMAKVZGL-YPMHNXCESA-N 2 2 294.399 0.734 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[NH2+]CC[C@@H]1CCCO1 ZINC001322059445 911636361 /nfs/dbraw/zinc/63/63/61/911636361.db2.gz HIZSRMVZXPOCHX-AAEUAGOBSA-N 2 2 294.399 0.924 20 0 CCADLP CC[C@@H](C[N@H+](C)CCN(C)C(=O)Cc1c[nH+]cn1C)OC ZINC001392320295 911724599 /nfs/dbraw/zinc/72/45/99/911724599.db2.gz URUYSRFDOHUAFU-AWEZNQCLSA-N 2 2 296.415 0.778 20 0 CCADLP CC[C@@H](C[N@@H+](C)CCN(C)C(=O)Cc1c[nH+]cn1C)OC ZINC001392320295 911724611 /nfs/dbraw/zinc/72/46/11/911724611.db2.gz URUYSRFDOHUAFU-AWEZNQCLSA-N 2 2 296.415 0.778 20 0 CCADLP C[C@@H](C[NH2+]Cc1csnn1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001392548965 911920709 /nfs/dbraw/zinc/92/07/09/911920709.db2.gz HBFXXHWHFDKVIA-GXSJLCMTSA-N 2 2 283.401 0.227 20 0 CCADLP C[C@@H](C[NH2+]Cc1csnn1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001392548965 911920722 /nfs/dbraw/zinc/92/07/22/911920722.db2.gz HBFXXHWHFDKVIA-GXSJLCMTSA-N 2 2 283.401 0.227 20 0 CCADLP C[C@@H](C[NH2+]Cc1csnn1)NC(=O)C12CC[NH+](CC1)C2 ZINC001392607997 911984363 /nfs/dbraw/zinc/98/43/63/911984363.db2.gz KVIMEACOKVRFHR-JTQLQIEISA-N 2 2 295.412 0.228 20 0 CCADLP Cc1cnc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001398867044 914892635 /nfs/dbraw/zinc/89/26/35/914892635.db2.gz DUEHUKACMHHWRU-PWSUYJOCSA-N 2 2 280.372 0.672 20 0 CCADLP Cc1cnc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001398867044 914892658 /nfs/dbraw/zinc/89/26/58/914892658.db2.gz DUEHUKACMHHWRU-PWSUYJOCSA-N 2 2 280.372 0.672 20 0 CCADLP C[N@H+](C[C@@H]1CCCS(=O)(=O)C1)C1CC[NH2+]CC1 ZINC001346015403 924042781 /nfs/dbraw/zinc/04/27/81/924042781.db2.gz VASULDURRIMCHP-NSHDSACASA-N 2 2 260.403 0.495 20 0 CCADLP C[N@@H+](C[C@@H]1CCCS(=O)(=O)C1)C1CC[NH2+]CC1 ZINC001346015403 924042792 /nfs/dbraw/zinc/04/27/92/924042792.db2.gz VASULDURRIMCHP-NSHDSACASA-N 2 2 260.403 0.495 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)Cc1cncn1C ZINC001399656860 915303660 /nfs/dbraw/zinc/30/36/60/915303660.db2.gz UAHPTJRBZQDCDK-UHFFFAOYSA-N 2 2 281.404 0.308 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NCC[NH+](C)Cc1cncn1C ZINC001399656860 915303681 /nfs/dbraw/zinc/30/36/81/915303681.db2.gz UAHPTJRBZQDCDK-UHFFFAOYSA-N 2 2 281.404 0.308 20 0 CCADLP CC(C)[NH+](C)CC(=O)NCC[N@H+](C)Cc1cncn1C ZINC001399656860 915303706 /nfs/dbraw/zinc/30/37/06/915303706.db2.gz UAHPTJRBZQDCDK-UHFFFAOYSA-N 2 2 281.404 0.308 20 0 CCADLP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C)Cc1cncn1C ZINC001399656860 915303728 /nfs/dbraw/zinc/30/37/28/915303728.db2.gz UAHPTJRBZQDCDK-UHFFFAOYSA-N 2 2 281.404 0.308 20 0 CCADLP CC(C)(C)[NH2+]CC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC001328724486 915385736 /nfs/dbraw/zinc/38/57/36/915385736.db2.gz HDBOKLDZVKREPR-SNVBAGLBSA-N 2 2 250.346 0.702 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC1C[NH+](Cc2cnoc2C)C1 ZINC001400548335 915807058 /nfs/dbraw/zinc/80/70/58/915807058.db2.gz SOYRLSJCYJNNAC-UHFFFAOYSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1oncc1C[NH+]1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001400566679 915810178 /nfs/dbraw/zinc/81/01/78/915810178.db2.gz ALHUAEKALVGYOD-UHFFFAOYSA-N 2 2 294.399 0.871 20 0 CCADLP CC(C)C[C@@H](C(=O)N[C@H]1CC[N@H+](CCO)C1)n1cc[nH+]c1 ZINC001400610308 915831922 /nfs/dbraw/zinc/83/19/22/915831922.db2.gz BCNPRJVBCZJSEC-KBPBESRZSA-N 2 2 294.399 0.653 20 0 CCADLP CC(C)C[C@@H](C(=O)N[C@H]1CC[N@@H+](CCO)C1)n1cc[nH+]c1 ZINC001400610308 915831937 /nfs/dbraw/zinc/83/19/37/915831937.db2.gz BCNPRJVBCZJSEC-KBPBESRZSA-N 2 2 294.399 0.653 20 0 CCADLP [NH3+]CC1(O)CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC001329374406 915853131 /nfs/dbraw/zinc/85/31/31/915853131.db2.gz BWYFPGXSRZRPCG-UHFFFAOYSA-N 2 2 251.330 0.838 20 0 CCADLP CC(C)CC[N@@H+]1CCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001401157825 916074326 /nfs/dbraw/zinc/07/43/26/916074326.db2.gz FOZGMMGNWYFNLT-CQSZACIVSA-N 2 2 294.399 0.746 20 0 CCADLP CC(C)CC[N@H+]1CCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001401157825 916074347 /nfs/dbraw/zinc/07/43/47/916074347.db2.gz FOZGMMGNWYFNLT-CQSZACIVSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@H](C[NH2+]Cc1cnsn1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001401237949 916137154 /nfs/dbraw/zinc/13/71/54/916137154.db2.gz FDIKTMHIUKOKCH-ZYHUDNBSSA-N 2 2 297.428 0.569 20 0 CCADLP C[C@H](C[NH2+]Cc1cnsn1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001401237949 916137168 /nfs/dbraw/zinc/13/71/68/916137168.db2.gz FDIKTMHIUKOKCH-ZYHUDNBSSA-N 2 2 297.428 0.569 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001401635967 916414172 /nfs/dbraw/zinc/41/41/72/916414172.db2.gz CDIWVHSWBCFOGO-CKYFFXLPSA-N 2 2 295.387 0.628 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001401635967 916414183 /nfs/dbraw/zinc/41/41/83/916414183.db2.gz CDIWVHSWBCFOGO-CKYFFXLPSA-N 2 2 295.387 0.628 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[NH2+]C[C@@H]1CCCCO1 ZINC001401717878 916507578 /nfs/dbraw/zinc/50/75/78/916507578.db2.gz MTGBHAMGFPOMMY-AAEUAGOBSA-N 2 2 294.399 0.924 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[NH2+]C[C@H]1CCCCO1 ZINC001401717884 916509469 /nfs/dbraw/zinc/50/94/69/916509469.db2.gz MTGBHAMGFPOMMY-WCQYABFASA-N 2 2 294.399 0.924 20 0 CCADLP C[NH+]1CCN(C2CC[NH+](CC3OCCO3)CC2)CC1 ZINC001330703971 916800409 /nfs/dbraw/zinc/80/04/09/916800409.db2.gz BUSAILNMTAEIQG-UHFFFAOYSA-N 2 2 269.389 0.071 20 0 CCADLP Cn1cc[nH+]c1Cn1cc([C@@H]([NH3+])[C@H]2CCCO2)nn1 ZINC001330775265 916852211 /nfs/dbraw/zinc/85/22/11/916852211.db2.gz QJCGDDHAKWTZOV-ZYHUDNBSSA-N 2 2 262.317 0.239 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC001330879964 916947982 /nfs/dbraw/zinc/94/79/82/916947982.db2.gz NYMLPIBRQUWEBF-NEPJUHHUSA-N 2 2 269.389 0.069 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC001330879964 916947989 /nfs/dbraw/zinc/94/79/89/916947989.db2.gz NYMLPIBRQUWEBF-NEPJUHHUSA-N 2 2 269.389 0.069 20 0 CCADLP CC(C)[NH+]1CC(O)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001402345187 916969233 /nfs/dbraw/zinc/96/92/33/916969233.db2.gz ZFVUQTKGJMUKDG-UHFFFAOYSA-N 2 2 297.443 0.822 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001402507961 917065603 /nfs/dbraw/zinc/06/56/03/917065603.db2.gz HZVQJAMYIPNUET-IHRRRGAJSA-N 2 2 292.383 0.547 20 0 CCADLP Cc1cc(C)c(CNC(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)c[nH+]1 ZINC001331103200 917089526 /nfs/dbraw/zinc/08/95/26/917089526.db2.gz DYTFRMWFFFVZSI-AAEUAGOBSA-N 2 2 290.367 0.263 20 0 CCADLP CC[C@H](F)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001402608949 917124720 /nfs/dbraw/zinc/12/47/20/917124720.db2.gz SJDPQDPCOWDJKX-WCQYABFASA-N 2 2 298.362 0.517 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001402618970 917135297 /nfs/dbraw/zinc/13/52/97/917135297.db2.gz BHXQLQWPNAWVCJ-LPWJVIDDSA-N 2 2 294.399 0.860 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001402618970 917135309 /nfs/dbraw/zinc/13/53/09/917135309.db2.gz BHXQLQWPNAWVCJ-LPWJVIDDSA-N 2 2 294.399 0.860 20 0 CCADLP CC[NH+]1CC2(C1)CC[C@H](CNC(=O)Cn1c[nH+]cc1C)O2 ZINC001402692724 917177257 /nfs/dbraw/zinc/17/72/57/917177257.db2.gz SZLZVGJLIVPRMF-CYBMUJFWSA-N 2 2 292.383 0.561 20 0 CCADLP CC(C)[NH+]1CC2(C1)CC[C@H](CNC(=O)Cn1cc[nH+]c1)O2 ZINC001402704722 917181287 /nfs/dbraw/zinc/18/12/87/917181287.db2.gz UYHHZTARRHZEHD-CYBMUJFWSA-N 2 2 292.383 0.641 20 0 CCADLP COCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001331362354 917285655 /nfs/dbraw/zinc/28/56/55/917285655.db2.gz TUMHXFDJAYEMIG-ZDUSSCGKSA-N 2 2 280.372 0.356 20 0 CCADLP Cc1nc(C[NH2+][C@@H](C)CNC(=O)Cn2cc[nH+]c2C)co1 ZINC001403128565 917510134 /nfs/dbraw/zinc/51/01/34/917510134.db2.gz CCWALWYZUOPFFL-JTQLQIEISA-N 2 2 291.355 0.782 20 0 CCADLP CO[C@@H](C)C[N@H+](C)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001403187996 917564501 /nfs/dbraw/zinc/56/45/01/917564501.db2.gz VPMNWHRAQTUDCC-NEPJUHHUSA-N 2 2 282.388 0.434 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001403187996 917564514 /nfs/dbraw/zinc/56/45/14/917564514.db2.gz VPMNWHRAQTUDCC-NEPJUHHUSA-N 2 2 282.388 0.434 20 0 CCADLP C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]C/C(Cl)=C\Cl ZINC001403700560 917897841 /nfs/dbraw/zinc/89/78/41/917897841.db2.gz LGRCIZSUKDTRKY-CYNRKNSPSA-N 2 2 298.214 0.324 20 0 CCADLP CC(C)C[NH2+][C@H](CO)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001403696823 917937014 /nfs/dbraw/zinc/93/70/14/917937014.db2.gz BDZTZIDKJJNJMX-YPMHNXCESA-N 2 2 282.388 0.311 20 0 CCADLP CC(C)C[NH2+][C@H](CO)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001403696823 917937025 /nfs/dbraw/zinc/93/70/25/917937025.db2.gz BDZTZIDKJJNJMX-YPMHNXCESA-N 2 2 282.388 0.311 20 0 CCADLP CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001403786451 918004592 /nfs/dbraw/zinc/00/45/92/918004592.db2.gz ISKOQDGHFWIHQB-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001403786451 918004607 /nfs/dbraw/zinc/00/46/07/918004607.db2.gz ISKOQDGHFWIHQB-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CCNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001403786451 918004625 /nfs/dbraw/zinc/00/46/25/918004625.db2.gz ISKOQDGHFWIHQB-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CCNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001403786451 918004639 /nfs/dbraw/zinc/00/46/39/918004639.db2.gz ISKOQDGHFWIHQB-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CC[C@@H](F)C[N@H+](CC)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001403850011 918062054 /nfs/dbraw/zinc/06/20/54/918062054.db2.gz YWWPJTDRWDCKKF-OLZOCXBDSA-N 2 2 289.395 0.503 20 0 CCADLP CC[C@@H](F)C[N@@H+](CC)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001403850011 918062083 /nfs/dbraw/zinc/06/20/83/918062083.db2.gz YWWPJTDRWDCKKF-OLZOCXBDSA-N 2 2 289.395 0.503 20 0 CCADLP CC[C@@H](F)C[NH+](CC)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001403850011 918062100 /nfs/dbraw/zinc/06/21/00/918062100.db2.gz YWWPJTDRWDCKKF-OLZOCXBDSA-N 2 2 289.395 0.503 20 0 CCADLP CC[C@@H](F)C[NH+](CC)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001403850011 918062117 /nfs/dbraw/zinc/06/21/17/918062117.db2.gz YWWPJTDRWDCKKF-OLZOCXBDSA-N 2 2 289.395 0.503 20 0 CCADLP CC[C@@H](C)C[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001403882329 918083751 /nfs/dbraw/zinc/08/37/51/918083751.db2.gz NHBGHMINZNHHKH-CHWSQXEVSA-N 2 2 282.388 0.338 20 0 CCADLP CC(C)N(CC[N@@H+](C)C[C@H](C)O)C(=O)Cc1c[nH+]cn1C ZINC001403933312 918129336 /nfs/dbraw/zinc/12/93/36/918129336.db2.gz FJSPQXXWIDEFKG-ZDUSSCGKSA-N 2 2 296.415 0.512 20 0 CCADLP CC(C)N(CC[N@H+](C)C[C@H](C)O)C(=O)Cc1c[nH+]cn1C ZINC001403933312 918129348 /nfs/dbraw/zinc/12/93/48/918129348.db2.gz FJSPQXXWIDEFKG-ZDUSSCGKSA-N 2 2 296.415 0.512 20 0 CCADLP CC(C)([NH3+])CCNC(=O)N1CCn2c[nH+]cc2C1 ZINC001332564760 918278692 /nfs/dbraw/zinc/27/86/92/918278692.db2.gz RTIJAWSAOLEDHX-UHFFFAOYSA-N 2 2 251.334 0.536 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NCC1C[NH+](Cc2cncn2C)C1 ZINC001404944568 918524939 /nfs/dbraw/zinc/52/49/39/918524939.db2.gz GIPCQHJLNOZJEM-UHFFFAOYSA-N 2 2 293.415 0.308 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NCC1C[NH+](Cc2cncn2C)C1 ZINC001404944568 918524952 /nfs/dbraw/zinc/52/49/52/918524952.db2.gz GIPCQHJLNOZJEM-UHFFFAOYSA-N 2 2 293.415 0.308 20 0 CCADLP CCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](CCCO)C1 ZINC001405186924 918639289 /nfs/dbraw/zinc/63/92/89/918639289.db2.gz GOLILLJKVTUTOE-CYBMUJFWSA-N 2 2 280.372 0.188 20 0 CCADLP CCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001405186924 918639296 /nfs/dbraw/zinc/63/92/96/918639296.db2.gz GOLILLJKVTUTOE-CYBMUJFWSA-N 2 2 280.372 0.188 20 0 CCADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]C[C@H]1CCCCO1 ZINC001405370585 918744018 /nfs/dbraw/zinc/74/40/18/918744018.db2.gz PKPVPEOLGBLABC-UONOGXRCSA-N 2 2 294.399 0.937 20 0 CCADLP 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[NH3+][C@@H]1CC[C@H](CNC(=O)N2CCn3c[nH+]cc3C2)C1 ZINC001336211076 920662754 /nfs/dbraw/zinc/66/27/54/920662754.db2.gz OIPRDAWVXRCFSN-WDEREUQCSA-N 2 2 263.345 0.536 20 0 CCADLP C[C@@H]([NH2+]CCC[NH+]1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001336751389 920979303 /nfs/dbraw/zinc/97/93/03/920979303.db2.gz PUSRKQDCEVBENV-CHWSQXEVSA-N 2 2 274.430 0.885 20 0 CCADLP CON(C)C(=O)CC[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001336800132 921018395 /nfs/dbraw/zinc/01/83/95/921018395.db2.gz OZGSMXICSFTKLU-NSHDSACASA-N 2 2 257.378 0.859 20 0 CCADLP CON(C)C(=O)CC[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001336800132 921018407 /nfs/dbraw/zinc/01/84/07/921018407.db2.gz OZGSMXICSFTKLU-NSHDSACASA-N 2 2 257.378 0.859 20 0 CCADLP CC1(CCNC(=O)NCC[NH+]2CCC([NH3+])CC2)CC1 ZINC001336891771 921086965 /nfs/dbraw/zinc/08/69/65/921086965.db2.gz QGRORPXCEIBVOD-UHFFFAOYSA-N 2 2 268.405 0.899 20 0 CCADLP C[C@@H](CC(=O)NC[C@H]1CCC[N@H+](CCO)C1)n1cc[nH+]c1 ZINC001418130234 921850748 /nfs/dbraw/zinc/85/07/48/921850748.db2.gz 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294.399 0.889 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC1(C[NH3+])CC1 ZINC001341305560 922416861 /nfs/dbraw/zinc/41/68/61/922416861.db2.gz GYNMOFPHBBIZSF-JTQLQIEISA-N 2 2 250.346 0.834 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC1(C[NH3+])CC1 ZINC001341305560 922416866 /nfs/dbraw/zinc/41/68/66/922416866.db2.gz GYNMOFPHBBIZSF-JTQLQIEISA-N 2 2 250.346 0.834 20 0 CCADLP C[C@@H]([NH2+]CCO)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001418850741 922450227 /nfs/dbraw/zinc/45/02/27/922450227.db2.gz XTDXFPYSRFUKMU-LLVKDONJSA-N 2 2 280.372 0.161 20 0 CCADLP [NH3+]C1(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001341415557 922474827 /nfs/dbraw/zinc/47/48/27/922474827.db2.gz NTGBLTOKXRMREW-GFCCVEGCSA-N 2 2 267.373 0.237 20 0 CCADLP [NH3+]C1(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001341415557 922474840 /nfs/dbraw/zinc/47/48/40/922474840.db2.gz NTGBLTOKXRMREW-GFCCVEGCSA-N 2 2 267.373 0.237 20 0 CCADLP C[C@H]1CC[C@@H](C[NH+]2CC(CNC(=O)Cc3[nH]cc[nH+]3)C2)O1 ZINC001419036649 922592177 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CN(C(=O)CCc1c[nH+]cn1C)C1CC[NH+](C)CC1 ZINC001343527403 923362867 /nfs/dbraw/zinc/36/28/67/923362867.db2.gz UQBXKNJZTRLATQ-UHFFFAOYSA-N 2 2 264.373 0.905 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CCNC(=O)C[NH+](C)C1CCC1 ZINC001420242481 923446496 /nfs/dbraw/zinc/44/64/96/923446496.db2.gz GPVIMYNODKCSPC-UHFFFAOYSA-N 2 2 298.431 0.043 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CCNC(=O)C[NH+](C)C1CCC1 ZINC001420242481 923446506 /nfs/dbraw/zinc/44/65/06/923446506.db2.gz GPVIMYNODKCSPC-UHFFFAOYSA-N 2 2 298.431 0.043 20 0 CCADLP CC(C)NC(=O)C[NH+](C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001420242481 923446513 /nfs/dbraw/zinc/44/65/13/923446513.db2.gz GPVIMYNODKCSPC-UHFFFAOYSA-N 2 2 298.431 0.043 20 0 CCADLP CC(C)NC(=O)C[NH+](C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001420242481 923446522 /nfs/dbraw/zinc/44/65/22/923446522.db2.gz GPVIMYNODKCSPC-UHFFFAOYSA-N 2 2 298.431 0.043 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC001343736455 923452707 /nfs/dbraw/zinc/45/27/07/923452707.db2.gz KASPUGBLSMKGTO-JGUVHBTRSA-N 2 2 295.427 0.721 20 0 CCADLP Cc1noc(C)c1C[NH2+]C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001420350918 923568426 /nfs/dbraw/zinc/56/84/26/923568426.db2.gz BCVZBBLYBDDXGO-SECBINFHSA-N 2 2 291.355 0.852 20 0 CCADLP Cc1ncc(C[NH2+]C[C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)o1 ZINC001420361729 923575051 /nfs/dbraw/zinc/57/50/51/923575051.db2.gz BRIPHXVANCNKBS-SECBINFHSA-N 2 2 291.355 0.852 20 0 CCADLP C[C@@H](C(=O)NCC[C@@H]1C[NH2+]C[C@H]1C)n1cc[nH+]c1 ZINC001344651834 923662793 /nfs/dbraw/zinc/66/27/93/923662793.db2.gz KUFJZMYRCIERML-GRYCIOLGSA-N 2 2 250.346 0.806 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001344709260 923671904 /nfs/dbraw/zinc/67/19/04/923671904.db2.gz XVUMYPVCUWNCSM-YPMHNXCESA-N 3 2 268.405 0.043 20 0 CCADLP C[C@H](C[N@H+](C)C[C@@H]1CCOC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001420584107 923801885 /nfs/dbraw/zinc/80/18/85/923801885.db2.gz VCGOJZWBEFIDSA-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H](C[N@@H+](C)C[C@@H]1CCOC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001420584107 923801900 /nfs/dbraw/zinc/80/19/00/923801900.db2.gz VCGOJZWBEFIDSA-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H](C[N@H+](C)C[C@@H]1CCOC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001420584107 923801917 /nfs/dbraw/zinc/80/19/17/923801917.db2.gz VCGOJZWBEFIDSA-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H](C[N@@H+](C)C[C@@H]1CCOC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001420584107 923801930 /nfs/dbraw/zinc/80/19/30/923801930.db2.gz VCGOJZWBEFIDSA-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H](C[N@H+](C)C[C@H]1CCOC1)NC(=O)CCn1cc[nH+]c1 ZINC001420614245 923822568 /nfs/dbraw/zinc/82/25/68/923822568.db2.gz HFWBZVDKPOCMAV-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@H](C[N@@H+](C)C[C@H]1CCOC1)NC(=O)CCn1cc[nH+]c1 ZINC001420614245 923822583 /nfs/dbraw/zinc/82/25/83/923822583.db2.gz HFWBZVDKPOCMAV-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@@H]1CN(C(=O)NCCCn2cc[nH+]c2)C[C@H]1CC[NH3+] ZINC001346137395 924082153 /nfs/dbraw/zinc/08/21/53/924082153.db2.gz ZQQUQDDORZYDDN-CHWSQXEVSA-N 2 2 279.388 0.900 20 0 CCADLP CC[N@H+](CCOC)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001421024953 924100572 /nfs/dbraw/zinc/10/05/72/924100572.db2.gz RRMPMFFAFSTISR-UHFFFAOYSA-N 2 2 294.399 0.912 20 0 CCADLP CC[N@@H+](CCOC)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001421024953 924100582 /nfs/dbraw/zinc/10/05/82/924100582.db2.gz RRMPMFFAFSTISR-UHFFFAOYSA-N 2 2 294.399 0.912 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001421097530 924150068 /nfs/dbraw/zinc/15/00/68/924150068.db2.gz IOFBRAFKCDOYTH-DZGCQCFKSA-N 2 2 297.443 0.942 20 0 CCADLP COCC[N@@H+]1CC[C@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001421212536 924220310 /nfs/dbraw/zinc/22/03/10/924220310.db2.gz DFIGNLUUZXZDLS-AWEZNQCLSA-N 2 2 280.372 0.500 20 0 CCADLP COCC[N@H+]1CC[C@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001421212536 924220325 /nfs/dbraw/zinc/22/03/25/924220325.db2.gz DFIGNLUUZXZDLS-AWEZNQCLSA-N 2 2 280.372 0.500 20 0 CCADLP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)/C=C/C[NH+]3CCOCC3)[C@@H]2C1 ZINC001348223506 924621647 /nfs/dbraw/zinc/62/16/47/924621647.db2.gz DOLYZWJJICTHSP-YVEXLGEVSA-N 2 2 293.411 0.331 20 0 CCADLP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)/C=C/C[NH+]3CCOCC3)[C@@H]2C1 ZINC001348223506 924621651 /nfs/dbraw/zinc/62/16/51/924621651.db2.gz DOLYZWJJICTHSP-YVEXLGEVSA-N 2 2 293.411 0.331 20 0 CCADLP CC[NH2+]CC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001349419914 924955148 /nfs/dbraw/zinc/95/51/48/924955148.db2.gz CIAKEYIWVYKSSR-GFCCVEGCSA-N 2 2 264.373 0.811 20 0 CCADLP COCC[C@@H]([NH3+])C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001349817928 925069428 /nfs/dbraw/zinc/06/94/28/925069428.db2.gz ZFDNEPUSCYRBKE-LLVKDONJSA-N 2 2 266.345 0.480 20 0 CCADLP C[NH+](C)Cc1nc(CNC(=O)[C@H]2CCC[N@@H+]2C)co1 ZINC001350739752 925266760 /nfs/dbraw/zinc/26/67/60/925266760.db2.gz VEMPNNGVZBFHQG-LLVKDONJSA-N 2 2 266.345 0.447 20 0 CCADLP C[NH+](C)Cc1nc(CNC(=O)[C@H]2CCC[N@H+]2C)co1 ZINC001350739752 925266768 /nfs/dbraw/zinc/26/67/68/925266768.db2.gz VEMPNNGVZBFHQG-LLVKDONJSA-N 2 2 266.345 0.447 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC001351288938 925396260 /nfs/dbraw/zinc/39/62/60/925396260.db2.gz SHFJIIDPFQRIAV-LLVKDONJSA-N 2 2 259.313 0.519 20 0 CCADLP CC[NH+]1CCN([C@H](C)C[NH2+]CCS(=O)(=O)CC)CC1 ZINC001353272605 925777448 /nfs/dbraw/zinc/77/74/48/925777448.db2.gz JVOQHDQEAGBGMN-CYBMUJFWSA-N 2 2 291.461 0.037 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](CNc2cc[nH+]c(N)n2)C1 ZINC001354058070 925999366 /nfs/dbraw/zinc/99/93/66/925999366.db2.gz ANDCKCHLCFWUKT-NSHDSACASA-N 2 2 265.361 0.828 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](CNc2cc[nH+]c(N)n2)C1 ZINC001354058070 925999370 /nfs/dbraw/zinc/99/93/70/925999370.db2.gz ANDCKCHLCFWUKT-NSHDSACASA-N 2 2 265.361 0.828 20 0 CCADLP C[C@@H]1CN(c2cc[nH+]c(N)n2)CC[N@H+]1CC(C)(C)O ZINC001354172553 926030181 /nfs/dbraw/zinc/03/01/81/926030181.db2.gz YOPMFSUYZXWCND-SNVBAGLBSA-N 2 2 265.361 0.340 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC001354854283 926174760 /nfs/dbraw/zinc/17/47/60/926174760.db2.gz OGMOQMWDLGLVMB-SDDRHHMPSA-N 2 2 257.378 0.197 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C[C@@H]1CC[NH2+]C1 ZINC001356606496 926407647 /nfs/dbraw/zinc/40/76/47/926407647.db2.gz FXTQVDWDQUGPGF-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@](O)(C[NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccco1 ZINC001356609423 926409158 /nfs/dbraw/zinc/40/91/58/926409158.db2.gz NCCJTYRPFIBAES-TZMCWYRMSA-N 2 2 268.357 0.533 20 0 CCADLP C[C@](O)(C[NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccco1 ZINC001356609422 926410095 /nfs/dbraw/zinc/41/00/95/926410095.db2.gz NCCJTYRPFIBAES-OCCSQVGLSA-N 2 2 268.357 0.533 20 0 CCADLP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1[NH2+]CCc2occc21 ZINC001357954918 926614811 /nfs/dbraw/zinc/61/48/11/926614811.db2.gz XTIFVDODNAXFTO-GXFFZTMASA-N 2 2 263.341 0.677 20 0 CCADLP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1[NH2+]CCc2occc21 ZINC001357954918 926614817 /nfs/dbraw/zinc/61/48/17/926614817.db2.gz XTIFVDODNAXFTO-GXFFZTMASA-N 2 2 263.341 0.677 20 0 CCADLP Cc1ccc(C(=O)NCC[NH+]2CCC([NH3+])CC2)cc1N ZINC001358118294 926639998 /nfs/dbraw/zinc/63/99/98/926639998.db2.gz BRDWWTMPQFTDGI-UHFFFAOYSA-N 2 2 276.384 0.730 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001358459812 926702570 /nfs/dbraw/zinc/70/25/70/926702570.db2.gz YAYMDYICONEDDW-VSSNEEPJSA-N 2 2 260.341 0.533 20 0 CCADLP CCCC[N@@H+]1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001421611176 926816004 /nfs/dbraw/zinc/81/60/04/926816004.db2.gz GOYPZDGUCAIXGN-OAHLLOKOSA-N 2 2 294.399 0.626 20 0 CCADLP CCCC[N@H+]1CCC[C@@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001421611176 926816014 /nfs/dbraw/zinc/81/60/14/926816014.db2.gz GOYPZDGUCAIXGN-OAHLLOKOSA-N 2 2 294.399 0.626 20 0 CCADLP CC[C@H](C(=O)NC[C@H]1COCC[N@@H+]1CC1CCC1)[NH+](C)C ZINC001421697567 926862923 /nfs/dbraw/zinc/86/29/23/926862923.db2.gz AJOWYZWZAHVFQC-LSDHHAIUSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@H](C(=O)NC[C@H]1COCC[N@H+]1CC1CCC1)[NH+](C)C ZINC001421697567 926862931 /nfs/dbraw/zinc/86/29/31/926862931.db2.gz AJOWYZWZAHVFQC-LSDHHAIUSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+]C[C@H]1CCOC1 ZINC001421730138 926879508 /nfs/dbraw/zinc/87/95/08/926879508.db2.gz QCCLBXGEFWTGKQ-UONOGXRCSA-N 2 2 294.399 0.652 20 0 CCADLP C[C@H](CC(=O)NCC1([NH2+]C[C@H](C)O)CCC1)n1cc[nH+]c1 ZINC001421782316 926908023 /nfs/dbraw/zinc/90/80/23/926908023.db2.gz XBRLPDMGXFZHFG-OLZOCXBDSA-N 2 2 294.399 0.844 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1CCCO ZINC001422121328 927081740 /nfs/dbraw/zinc/08/17/40/927081740.db2.gz MJYUSMFAJVXRCQ-OLZOCXBDSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1CCCO ZINC001422121328 927081755 /nfs/dbraw/zinc/08/17/55/927081755.db2.gz MJYUSMFAJVXRCQ-OLZOCXBDSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1CCCO ZINC001422121328 927081771 /nfs/dbraw/zinc/08/17/71/927081771.db2.gz MJYUSMFAJVXRCQ-OLZOCXBDSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1CCCO ZINC001422121328 927081784 /nfs/dbraw/zinc/08/17/84/927081784.db2.gz MJYUSMFAJVXRCQ-OLZOCXBDSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@H](C[NH2+]Cc1cnsn1)NC(=O)C12CC[NH+](CC1)C2 ZINC001422589907 927388295 /nfs/dbraw/zinc/38/82/95/927388295.db2.gz JTNKGQJUIKBPJJ-SNVBAGLBSA-N 2 2 295.412 0.228 20 0 CCADLP Cc1cc(C[NH2+]C[C@@H](C)NC(=O)Cn2cc[nH+]c2C)on1 ZINC001422596445 927400625 /nfs/dbraw/zinc/40/06/25/927400625.db2.gz DHNNFAIQDZWGAO-LLVKDONJSA-N 2 2 291.355 0.782 20 0 CCADLP C[C@@H](C[NH2+]CC1CCOCC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001422650721 927436231 /nfs/dbraw/zinc/43/62/31/927436231.db2.gz BMFMGHDVTINBHD-LBPRGKRZSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@@H](C[NH2+]CC1CCOCC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001422650721 927436241 /nfs/dbraw/zinc/43/62/41/927436241.db2.gz BMFMGHDVTINBHD-LBPRGKRZSA-N 2 2 294.399 0.863 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CCCCC[N@H+]1CCO ZINC001422706594 927462051 /nfs/dbraw/zinc/46/20/51/927462051.db2.gz WVFMUPAYLDNKOO-CQSZACIVSA-N 2 2 294.399 0.626 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CCCCC[N@@H+]1CCO ZINC001422706594 927462057 /nfs/dbraw/zinc/46/20/57/927462057.db2.gz WVFMUPAYLDNKOO-CQSZACIVSA-N 2 2 294.399 0.626 20 0 CCADLP COC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001422902731 927578484 /nfs/dbraw/zinc/57/84/84/927578484.db2.gz FOMIAEUYMVDYNI-SRVKXCTJSA-N 2 2 280.372 0.472 20 0 CCADLP CC[C@@H](C(=O)NCC1([NH2+]Cc2nonc2C)CC1)[NH+](C)C ZINC001423277865 927784694 /nfs/dbraw/zinc/78/46/94/927784694.db2.gz BJCHZRDRODSRQX-LBPRGKRZSA-N 2 2 295.387 0.457 20 0 CCADLP CC(C)C[NH2+][C@H](CO)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001423288472 927789801 /nfs/dbraw/zinc/78/98/01/927789801.db2.gz MICZBLUEFPAARB-OLZOCXBDSA-N 2 2 282.388 0.557 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](CO)[NH2+]C/C=C\Cl ZINC001423287421 927791628 /nfs/dbraw/zinc/79/16/28/927791628.db2.gz LQJBXAYTNOXRLY-MXQLGCADSA-N 2 2 286.763 0.080 20 0 CCADLP C[C@@H](CC(=O)NC1(C)CC[NH+](CCO)CC1)n1cc[nH+]c1 ZINC001423522976 927906120 /nfs/dbraw/zinc/90/61/20/927906120.db2.gz UMCPQKGLZKEYPT-ZDUSSCGKSA-N 2 2 294.399 0.797 20 0 CCADLP CC(C)[N@@H+]1CC[C@@](O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001423783444 927980829 /nfs/dbraw/zinc/98/08/29/927980829.db2.gz YZKMUYWEJXMVAY-CQSZACIVSA-N 2 2 280.372 0.235 20 0 CCADLP CC(C)[N@H+]1CC[C@@](O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001423783444 927980838 /nfs/dbraw/zinc/98/08/38/927980838.db2.gz YZKMUYWEJXMVAY-CQSZACIVSA-N 2 2 280.372 0.235 20 0 CCADLP CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001423793156 927985101 /nfs/dbraw/zinc/98/51/01/927985101.db2.gz PGEQXVOIAQDTLX-FZMZJTMJSA-N 2 2 280.372 0.161 20 0 CCADLP CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001423793156 927985106 /nfs/dbraw/zinc/98/51/06/927985106.db2.gz PGEQXVOIAQDTLX-FZMZJTMJSA-N 2 2 280.372 0.161 20 0 CCADLP CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001423793156 927985110 /nfs/dbraw/zinc/98/51/10/927985110.db2.gz PGEQXVOIAQDTLX-FZMZJTMJSA-N 2 2 280.372 0.161 20 0 CCADLP CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001423793156 927985118 /nfs/dbraw/zinc/98/51/18/927985118.db2.gz PGEQXVOIAQDTLX-FZMZJTMJSA-N 2 2 280.372 0.161 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001424152716 928116017 /nfs/dbraw/zinc/11/60/17/928116017.db2.gz KAPBEVNOPVLSCC-CHWSQXEVSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@@H](O)C[NH2+]C1(C)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001424484962 928196060 /nfs/dbraw/zinc/19/60/60/928196060.db2.gz YYCDKQXGMQBZAZ-CYBMUJFWSA-N 2 2 294.399 0.625 20 0 CCADLP COC[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001425047388 928413968 /nfs/dbraw/zinc/41/39/68/928413968.db2.gz DPGCPJKZDKNZIU-QWHCGFSZSA-N 2 2 296.415 0.824 20 0 CCADLP COC[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001425047388 928413973 /nfs/dbraw/zinc/41/39/73/928413973.db2.gz DPGCPJKZDKNZIU-QWHCGFSZSA-N 2 2 296.415 0.824 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001425135285 928443541 /nfs/dbraw/zinc/44/35/41/928443541.db2.gz NIDAIYMKBGZTJZ-BETUJISGSA-N 2 2 283.416 0.432 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001425135285 928443552 /nfs/dbraw/zinc/44/35/52/928443552.db2.gz NIDAIYMKBGZTJZ-BETUJISGSA-N 2 2 283.416 0.432 20 0 CCADLP C[C@@H](NC(=O)CCn1cc[nH+]c1)C1C[NH+](C[C@H](C)O)C1 ZINC001425243102 928474364 /nfs/dbraw/zinc/47/43/64/928474364.db2.gz RRBINAAJNVFNJC-NWDGAFQWSA-N 2 2 280.372 0.091 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC001425353511 928520567 /nfs/dbraw/zinc/52/05/67/928520567.db2.gz LDVUDBULFNQZEG-XYYAHUGASA-N 2 2 280.347 0.226 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001425353511 928520578 /nfs/dbraw/zinc/52/05/78/928520578.db2.gz LDVUDBULFNQZEG-XYYAHUGASA-N 2 2 280.347 0.226 20 0 CCADLP CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ncccn1)[NH+](C)C ZINC001425685278 928624852 /nfs/dbraw/zinc/62/48/52/928624852.db2.gz UIPHORHZZVLFCM-OLZOCXBDSA-N 2 2 293.415 0.753 20 0 CCADLP Cc1cc(C[NH2+][C@H](C)CN(C)C(=O)Cn2cc[nH+]c2)on1 ZINC001425690899 928624915 /nfs/dbraw/zinc/62/49/15/928624915.db2.gz FMGUNLMWGSFCOP-GFCCVEGCSA-N 2 2 291.355 0.816 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC001363178888 928950361 /nfs/dbraw/zinc/95/03/61/928950361.db2.gz RXGRVGQDBUIPNV-QLFBSQMISA-N 2 2 297.443 0.896 20 0 CCADLP CC(C)[C@@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CCO1 ZINC001363356372 929142991 /nfs/dbraw/zinc/14/29/91/929142991.db2.gz CNIGSPKLWYCZDY-KBPBESRZSA-N 2 2 283.416 0.554 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NCc2c[nH+]c3n2CCC3)C1 ZINC001363394992 929181832 /nfs/dbraw/zinc/18/18/32/929181832.db2.gz GMSBQVJNJDQUTJ-LBPRGKRZSA-N 2 2 278.356 0.166 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NCc2c[nH+]c3n2CCC3)C1 ZINC001363394992 929181838 /nfs/dbraw/zinc/18/18/38/929181838.db2.gz GMSBQVJNJDQUTJ-LBPRGKRZSA-N 2 2 278.356 0.166 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N2CCc3cc[nH+]c(N)c3C2)C1 ZINC001363407690 929192616 /nfs/dbraw/zinc/19/26/16/929192616.db2.gz HYRGRHDTIQPBOC-NSHDSACASA-N 2 2 274.368 0.890 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N2CCc3cc[nH+]c(N)c3C2)C1 ZINC001363407690 929192625 /nfs/dbraw/zinc/19/26/25/929192625.db2.gz HYRGRHDTIQPBOC-NSHDSACASA-N 2 2 274.368 0.890 20 0 CCADLP C[C@@H](CC[NH+](C)C)C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001363406945 929193350 /nfs/dbraw/zinc/19/33/50/929193350.db2.gz KXAYSSUFMQUQHM-AAEUAGOBSA-N 2 2 279.388 0.470 20 0 CCADLP C[N@@H+]1CC[C@H](CC(=O)N2CCc3cc[nH+]c(N)c3C2)C1 ZINC001363506905 929309030 /nfs/dbraw/zinc/30/90/30/929309030.db2.gz GXAPPGLSQSOAIK-LLVKDONJSA-N 2 2 274.368 0.890 20 0 CCADLP C[N@H+]1CC[C@H](CC(=O)N2CCc3cc[nH+]c(N)c3C2)C1 ZINC001363506905 929309040 /nfs/dbraw/zinc/30/90/40/929309040.db2.gz GXAPPGLSQSOAIK-LLVKDONJSA-N 2 2 274.368 0.890 20 0 CCADLP CNC(=O)C[N@@H+]1CCCN(C(=O)CC[NH2+]C(C)(C)C)CC1 ZINC001363549487 929350815 /nfs/dbraw/zinc/35/08/15/929350815.db2.gz ZGTAHFBWFAIVRR-UHFFFAOYSA-N 2 2 298.431 0.045 20 0 CCADLP CNC(=O)C[N@H+]1CCCN(C(=O)CC[NH2+]C(C)(C)C)CC1 ZINC001363549487 929350823 /nfs/dbraw/zinc/35/08/23/929350823.db2.gz ZGTAHFBWFAIVRR-UHFFFAOYSA-N 2 2 298.431 0.045 20 0 CCADLP C[NH+](C)CC[C@](C)(O)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001363708262 929507821 /nfs/dbraw/zinc/50/78/21/929507821.db2.gz NAOKZUDFJMNTCL-WFASDCNBSA-N 2 2 294.399 0.264 20 0 CCADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1C[C@@H](O)C2(CC2)C1 ZINC001363787049 929574714 /nfs/dbraw/zinc/57/47/14/929574714.db2.gz VBLXEXQWLLQHHM-HZPDHXFCSA-N 2 2 290.407 0.936 20 0 CCADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1C[C@@H](O)C2(CC2)C1 ZINC001363787049 929574721 /nfs/dbraw/zinc/57/47/21/929574721.db2.gz VBLXEXQWLLQHHM-HZPDHXFCSA-N 2 2 290.407 0.936 20 0 CCADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC001363787049 929574725 /nfs/dbraw/zinc/57/47/25/929574725.db2.gz VBLXEXQWLLQHHM-HZPDHXFCSA-N 2 2 290.407 0.936 20 0 CCADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC001363787049 929574732 /nfs/dbraw/zinc/57/47/32/929574732.db2.gz VBLXEXQWLLQHHM-HZPDHXFCSA-N 2 2 290.407 0.936 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001363802626 929591525 /nfs/dbraw/zinc/59/15/25/929591525.db2.gz AUWRXUDYNHHHTL-JMSVASOKSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001363802626 929591533 /nfs/dbraw/zinc/59/15/33/929591533.db2.gz AUWRXUDYNHHHTL-JMSVASOKSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001363802626 929591537 /nfs/dbraw/zinc/59/15/37/929591537.db2.gz AUWRXUDYNHHHTL-JMSVASOKSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001363802626 929591541 /nfs/dbraw/zinc/59/15/41/929591541.db2.gz AUWRXUDYNHHHTL-JMSVASOKSA-N 2 2 276.384 0.998 20 0 CCADLP Cc1noc(C[NH2+][C@@H](C)CCNC(=O)Cn2cc[nH+]c2)n1 ZINC001371886906 929653840 /nfs/dbraw/zinc/65/38/40/929653840.db2.gz AFWONXUKLVZDHQ-JTQLQIEISA-N 2 2 292.343 0.259 20 0 CCADLP CC[C@@H](C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)OC ZINC001371998824 929698677 /nfs/dbraw/zinc/69/86/77/929698677.db2.gz IPKPMRBHLPUCRY-YNEHKIRRSA-N 2 2 294.399 0.986 20 0 CCADLP CC[C@@H](C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)OC ZINC001371998824 929698682 /nfs/dbraw/zinc/69/86/82/929698682.db2.gz IPKPMRBHLPUCRY-YNEHKIRRSA-N 2 2 294.399 0.986 20 0 CCADLP CC[C@@H](C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)OC ZINC001371998824 929698686 /nfs/dbraw/zinc/69/86/86/929698686.db2.gz IPKPMRBHLPUCRY-YNEHKIRRSA-N 2 2 294.399 0.986 20 0 CCADLP CC[C@@H](C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)OC ZINC001371998824 929698691 /nfs/dbraw/zinc/69/86/91/929698691.db2.gz IPKPMRBHLPUCRY-YNEHKIRRSA-N 2 2 294.399 0.986 20 0 CCADLP COCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001443849855 929721247 /nfs/dbraw/zinc/72/12/47/929721247.db2.gz UMGZVDIJHIRLCV-GXTWGEPZSA-N 2 2 294.399 0.767 20 0 CCADLP COCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001443849855 929721252 /nfs/dbraw/zinc/72/12/52/929721252.db2.gz UMGZVDIJHIRLCV-GXTWGEPZSA-N 2 2 294.399 0.767 20 0 CCADLP COCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001443849855 929721261 /nfs/dbraw/zinc/72/12/61/929721261.db2.gz UMGZVDIJHIRLCV-GXTWGEPZSA-N 2 2 294.399 0.767 20 0 CCADLP COCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001443849855 929721269 /nfs/dbraw/zinc/72/12/69/929721269.db2.gz UMGZVDIJHIRLCV-GXTWGEPZSA-N 2 2 294.399 0.767 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]Cc1ccccn1 ZINC001444386448 929860023 /nfs/dbraw/zinc/86/00/23/929860023.db2.gz HWIYJJGMSXKYLF-LBPRGKRZSA-N 2 2 287.367 0.889 20 0 CCADLP CO[C@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001372568591 929886173 /nfs/dbraw/zinc/88/61/73/929886173.db2.gz RWRSYXOUDZAFID-DGCLKSJQSA-N 2 2 294.399 0.876 20 0 CCADLP CO[C@H](C)C[N@H+]1CCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001372568591 929886183 /nfs/dbraw/zinc/88/61/83/929886183.db2.gz RWRSYXOUDZAFID-DGCLKSJQSA-N 2 2 294.399 0.876 20 0 CCADLP CC[C@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]C[C@H](C)O ZINC001373778330 930340503 /nfs/dbraw/zinc/34/05/03/930340503.db2.gz MMSMLWAJKMHAJC-NWDGAFQWSA-N 2 2 282.388 0.218 20 0 CCADLP C[C@@H](O)C[NH+]1CCC(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001373948934 930375920 /nfs/dbraw/zinc/37/59/20/930375920.db2.gz IQDLVMOIMVJXIG-GFCCVEGCSA-N 2 2 294.399 0.551 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001374231265 930460872 /nfs/dbraw/zinc/46/08/72/930460872.db2.gz DIOPEZMHJLPPAM-RYUDHWBXSA-N 2 2 282.388 0.814 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001374231265 930460887 /nfs/dbraw/zinc/46/08/87/930460887.db2.gz DIOPEZMHJLPPAM-RYUDHWBXSA-N 2 2 282.388 0.814 20 0 CCADLP C[C@@H](C[N@H+](C)CCCO)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001375066795 930781417 /nfs/dbraw/zinc/78/14/17/930781417.db2.gz YGOZFFVUULTGAS-STQMWFEESA-N 2 2 294.399 0.264 20 0 CCADLP C[C@@H](C[N@@H+](C)CCCO)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001375066795 930781424 /nfs/dbraw/zinc/78/14/24/930781424.db2.gz YGOZFFVUULTGAS-STQMWFEESA-N 2 2 294.399 0.264 20 0 CCADLP COC[C@H](C)[NH2+]C[C@H](NC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001375270190 930834640 /nfs/dbraw/zinc/83/46/40/930834640.db2.gz KSNXECAVNWSVGD-FZMZJTMJSA-N 2 2 294.399 0.482 20 0 CCADLP CC(C)[C@@H](C(=O)NCC1([NH2+]Cc2cnon2)CC1)[NH+](C)C ZINC001375432231 930886443 /nfs/dbraw/zinc/88/64/43/930886443.db2.gz IFOUOLZRXCGPQR-LBPRGKRZSA-N 2 2 295.387 0.394 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1[C@@H](CC)C(N)=O ZINC001375473274 930892120 /nfs/dbraw/zinc/89/21/20/930892120.db2.gz SWNRMIJLDCTBIZ-OLZOCXBDSA-N 2 2 298.431 0.125 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1[C@@H](CC)C(N)=O ZINC001375473274 930892128 /nfs/dbraw/zinc/89/21/28/930892128.db2.gz SWNRMIJLDCTBIZ-OLZOCXBDSA-N 2 2 298.431 0.125 20 0 CCADLP CCC[NH+](C)CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](CC)C(N)=O ZINC001375473274 930892133 /nfs/dbraw/zinc/89/21/33/930892133.db2.gz SWNRMIJLDCTBIZ-OLZOCXBDSA-N 2 2 298.431 0.125 20 0 CCADLP CCC[NH+](C)CC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H](CC)C(N)=O ZINC001375473274 930892137 /nfs/dbraw/zinc/89/21/37/930892137.db2.gz SWNRMIJLDCTBIZ-OLZOCXBDSA-N 2 2 298.431 0.125 20 0 CCADLP C[C@H](F)CC[N@@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001376087109 931047050 /nfs/dbraw/zinc/04/70/50/931047050.db2.gz YFQGGJFBBMYJPY-SMDDNHRTSA-N 2 2 298.362 0.253 20 0 CCADLP C[C@H](F)CC[N@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001376087109 931047063 /nfs/dbraw/zinc/04/70/63/931047063.db2.gz YFQGGJFBBMYJPY-SMDDNHRTSA-N 2 2 298.362 0.253 20 0 CCADLP CC(C)N(CC[N@H+](C)CCO)C(=O)CCc1c[nH+]cn1C ZINC001449270761 931116498 /nfs/dbraw/zinc/11/64/98/931116498.db2.gz KCWFMVULHVYOEQ-UHFFFAOYSA-N 2 2 296.415 0.514 20 0 CCADLP CC(C)N(CC[N@@H+](C)CCO)C(=O)CCc1c[nH+]cn1C ZINC001449270761 931116501 /nfs/dbraw/zinc/11/65/01/931116501.db2.gz KCWFMVULHVYOEQ-UHFFFAOYSA-N 2 2 296.415 0.514 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1nonc1C ZINC001376852260 931304150 /nfs/dbraw/zinc/30/41/50/931304150.db2.gz XBZGUHOKPWLQTJ-SNVBAGLBSA-N 2 2 283.376 0.314 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1nonc1C ZINC001376852260 931304156 /nfs/dbraw/zinc/30/41/56/931304156.db2.gz XBZGUHOKPWLQTJ-SNVBAGLBSA-N 2 2 283.376 0.314 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)CNC(=O)C[C@H]2CC[N@H+](C)C2)o1 ZINC001376851684 931304831 /nfs/dbraw/zinc/30/48/31/931304831.db2.gz DWGWCEFZLKSZKT-CMPLNLGQSA-N 2 2 295.387 0.314 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)CNC(=O)C[C@H]2CC[N@@H+](C)C2)o1 ZINC001376851684 931304836 /nfs/dbraw/zinc/30/48/36/931304836.db2.gz DWGWCEFZLKSZKT-CMPLNLGQSA-N 2 2 295.387 0.314 20 0 CCADLP CC[N@@H+]1CC[C@H]1C(=O)NCCC[NH+](C)CCN(C)C ZINC001450783919 931335419 /nfs/dbraw/zinc/33/54/19/931335419.db2.gz FBAHZNDDGFHADF-ZDUSSCGKSA-N 2 2 270.421 0.080 20 0 CCADLP CC[N@H+]1CC[C@H]1C(=O)NCCC[NH+](C)CCN(C)C ZINC001450783919 931335424 /nfs/dbraw/zinc/33/54/24/931335424.db2.gz FBAHZNDDGFHADF-ZDUSSCGKSA-N 2 2 270.421 0.080 20 0 CCADLP CC[NH+]1CC[C@H]1C(=O)NCCC[N@H+](C)CCN(C)C ZINC001450783919 931335435 /nfs/dbraw/zinc/33/54/35/931335435.db2.gz FBAHZNDDGFHADF-ZDUSSCGKSA-N 2 2 270.421 0.080 20 0 CCADLP CC[NH+]1CC[C@H]1C(=O)NCCC[N@@H+](C)CCN(C)C ZINC001450783919 931335440 /nfs/dbraw/zinc/33/54/40/931335440.db2.gz FBAHZNDDGFHADF-ZDUSSCGKSA-N 2 2 270.421 0.080 20 0 CCADLP CC[N@@H+]1CC[C@H]1C(=O)NCCCN(C)CC[NH+](C)C ZINC001450783919 931335447 /nfs/dbraw/zinc/33/54/47/931335447.db2.gz FBAHZNDDGFHADF-ZDUSSCGKSA-N 2 2 270.421 0.080 20 0 CCADLP CC[N@H+]1CC[C@H]1C(=O)NCCCN(C)CC[NH+](C)C ZINC001450783919 931335452 /nfs/dbraw/zinc/33/54/52/931335452.db2.gz FBAHZNDDGFHADF-ZDUSSCGKSA-N 2 2 270.421 0.080 20 0 CCADLP CNC(=O)C[NH2+][C@H](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001377080272 931376109 /nfs/dbraw/zinc/37/61/09/931376109.db2.gz VSYDCCVKPVYZRR-VXGBXAGGSA-N 2 2 295.387 0.065 20 0 CCADLP C[C@H]1CCN(C(=O)C[NH+](C)C)C[C@H]1n1cc[nH+]c1 ZINC000124370863 187134918 /nfs/dbraw/zinc/13/49/18/187134918.db2.gz YPLUDEFUVBCVTN-NWDGAFQWSA-N 2 2 250.346 0.854 20 0 CCADLP CN(C)CC[NH+]1CCC(NC(=O)NCC[NH+]2CCC2)CC1 ZINC000337401848 214056636 /nfs/dbraw/zinc/05/66/36/214056636.db2.gz QBFMFMHQLIQSPX-UHFFFAOYSA-N 2 2 297.447 0.017 20 0 CCADLP O=C(C[C@@H]1C[NH2+]CCO1)NCCCCn1cc[nH+]c1 ZINC000091311334 349461379 /nfs/dbraw/zinc/46/13/79/349461379.db2.gz PRYJARHAQOPEIX-GFCCVEGCSA-N 2 2 266.345 0.158 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC1CC[NH+](C)CC1 ZINC000337446165 214087519 /nfs/dbraw/zinc/08/75/19/214087519.db2.gz CEQOABKFJIHXNT-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H]1C[NH+](CC2CC[NH+](CC[NH3+])CC2)C[C@H](C)O1 ZINC000262961606 300252471 /nfs/dbraw/zinc/25/24/71/300252471.db2.gz KTPPDPJCAAJQPP-STQMWFEESA-N 3 2 255.406 0.766 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](C)OC[C@H]2C)CC1 ZINC000337474033 214105840 /nfs/dbraw/zinc/10/58/40/214105840.db2.gz RAWZQPNLNJMVTM-CHWSQXEVSA-N 2 2 283.416 0.696 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](C)OC[C@H]2C)CC1 ZINC000337474033 214105841 /nfs/dbraw/zinc/10/58/41/214105841.db2.gz RAWZQPNLNJMVTM-CHWSQXEVSA-N 2 2 283.416 0.696 20 0 CCADLP Cc1occc1C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093159825 349528688 /nfs/dbraw/zinc/52/86/88/349528688.db2.gz YDPBMBKTJRPWCU-UHFFFAOYSA-N 2 2 265.357 0.794 20 0 CCADLP Cc1occc1C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093159825 349528692 /nfs/dbraw/zinc/52/86/92/349528692.db2.gz YDPBMBKTJRPWCU-UHFFFAOYSA-N 2 2 265.357 0.794 20 0 CCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCCC[NH+]1C ZINC000617505417 365660984 /nfs/dbraw/zinc/66/09/84/365660984.db2.gz BOOLSQOEGVBQKF-LSDHHAIUSA-N 3 2 298.475 0.859 20 0 CCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCCC[NH+]1C ZINC000617505417 365660992 /nfs/dbraw/zinc/66/09/92/365660992.db2.gz BOOLSQOEGVBQKF-LSDHHAIUSA-N 3 2 298.475 0.859 20 0 CCADLP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000617505417 365660996 /nfs/dbraw/zinc/66/09/96/365660996.db2.gz BOOLSQOEGVBQKF-LSDHHAIUSA-N 3 2 298.475 0.859 20 0 CCADLP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC000617505417 365661003 /nfs/dbraw/zinc/66/10/03/365661003.db2.gz BOOLSQOEGVBQKF-LSDHHAIUSA-N 3 2 298.475 0.859 20 0 CCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1c[nH+]cn1C ZINC000617507518 365662185 /nfs/dbraw/zinc/66/21/85/365662185.db2.gz ZYDUMNYLQXHLPD-ZDUSSCGKSA-N 3 2 295.431 0.351 20 0 CCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cc1c[nH+]cn1C ZINC000617507518 365662191 /nfs/dbraw/zinc/66/21/91/365662191.db2.gz ZYDUMNYLQXHLPD-ZDUSSCGKSA-N 3 2 295.431 0.351 20 0 CCADLP CCN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@H+](C)C1 ZINC000617552266 365674621 /nfs/dbraw/zinc/67/46/21/365674621.db2.gz KREQQNKMIZSKBM-LLVKDONJSA-N 2 2 250.346 0.515 20 0 CCADLP CCN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@@H+](C)C1 ZINC000617552266 365674623 /nfs/dbraw/zinc/67/46/23/365674623.db2.gz KREQQNKMIZSKBM-LLVKDONJSA-N 2 2 250.346 0.515 20 0 CCADLP CCN(C(=O)CCc1c[nH+]c[nH]1)[C@H]1CC[N@H+](C)C1 ZINC000617552431 365674797 /nfs/dbraw/zinc/67/47/97/365674797.db2.gz NUTHJAARSURBIJ-LBPRGKRZSA-N 2 2 250.346 0.895 20 0 CCADLP CCN(C(=O)CCc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](C)C1 ZINC000617552431 365674799 /nfs/dbraw/zinc/67/47/99/365674799.db2.gz NUTHJAARSURBIJ-LBPRGKRZSA-N 2 2 250.346 0.895 20 0 CCADLP CCN(C(=O)CCc1c[nH]c[nH+]1)[C@H]1CC[N@H+](C)C1 ZINC000617552431 365674801 /nfs/dbraw/zinc/67/48/01/365674801.db2.gz NUTHJAARSURBIJ-LBPRGKRZSA-N 2 2 250.346 0.895 20 0 CCADLP CCN(C(=O)CCc1c[nH]c[nH+]1)[C@H]1CC[N@@H+](C)C1 ZINC000617552431 365674802 /nfs/dbraw/zinc/67/48/02/365674802.db2.gz NUTHJAARSURBIJ-LBPRGKRZSA-N 2 2 250.346 0.895 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(C(=O)OC)cn2)C1 ZINC000094763023 349573812 /nfs/dbraw/zinc/57/38/12/349573812.db2.gz ZBZXCMVNVWJOAI-NSHDSACASA-N 2 2 263.341 0.910 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)OC)cn2)C1 ZINC000094763023 349573816 /nfs/dbraw/zinc/57/38/16/349573816.db2.gz ZBZXCMVNVWJOAI-NSHDSACASA-N 2 2 263.341 0.910 20 0 CCADLP CC[NH+](CC)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000096785898 349622856 /nfs/dbraw/zinc/62/28/56/349622856.db2.gz HBCCXCLOUOAUMB-GFCCVEGCSA-N 2 2 264.373 0.904 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC000600474881 361988811 /nfs/dbraw/zinc/98/88/11/361988811.db2.gz LYWAXMCUAXIWEA-ZDUSSCGKSA-N 2 2 279.388 0.025 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC000600474881 361988817 /nfs/dbraw/zinc/98/88/17/361988817.db2.gz LYWAXMCUAXIWEA-ZDUSSCGKSA-N 2 2 279.388 0.025 20 0 CCADLP CC[NH+]1CCN(CCC(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000338067019 214385202 /nfs/dbraw/zinc/38/52/02/214385202.db2.gz KVIMQPYOPXPGGS-UHFFFAOYSA-N 2 2 294.443 0.321 20 0 CCADLP CCN1CC[NH+](CCC(=O)N2CC[NH+](C3CC3)CC2)CC1 ZINC000338067019 214385204 /nfs/dbraw/zinc/38/52/04/214385204.db2.gz KVIMQPYOPXPGGS-UHFFFAOYSA-N 2 2 294.443 0.321 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)N(CCOC)CC[NH+](C)C ZINC000492271403 529557028 /nfs/dbraw/zinc/55/70/28/529557028.db2.gz GETNQQZBWITUGC-SREVYHEPSA-N 2 2 294.399 0.953 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000418729184 529559248 /nfs/dbraw/zinc/55/92/48/529559248.db2.gz NSUQASVTCCNHQM-NEPJUHHUSA-N 2 2 294.403 0.535 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000418704339 529560008 /nfs/dbraw/zinc/56/00/08/529560008.db2.gz RKNAANHDWCFDPF-YPMHNXCESA-N 2 2 278.356 0.982 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418263768 529574791 /nfs/dbraw/zinc/57/47/91/529574791.db2.gz JRTGZBWRXOJAHK-WDEREUQCSA-N 2 2 265.361 0.700 20 0 CCADLP COC(=O)c1cnc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cn1 ZINC000600710907 362042629 /nfs/dbraw/zinc/04/26/29/362042629.db2.gz QPJMUAYFJVWLSY-LBPRGKRZSA-N 2 2 278.356 0.741 20 0 CCADLP CC(C)[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH+]1CCN(C)CC1 ZINC000112913928 349795112 /nfs/dbraw/zinc/79/51/12/349795112.db2.gz JMFQNZZSMMSDMJ-OAHLLOKOSA-N 2 2 298.475 0.715 20 0 CCADLP CC(C)[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[NH+]1CCN(C)CC1 ZINC000112913928 349795115 /nfs/dbraw/zinc/79/51/15/349795115.db2.gz JMFQNZZSMMSDMJ-OAHLLOKOSA-N 2 2 298.475 0.715 20 0 CCADLP CC(C)[C@@H](CNC(=O)C[N@H+](C)C(C)C)N1CC[NH+](C)CC1 ZINC000112913928 349795119 /nfs/dbraw/zinc/79/51/19/349795119.db2.gz JMFQNZZSMMSDMJ-OAHLLOKOSA-N 2 2 298.475 0.715 20 0 CCADLP CC(C)[C@@H](CNC(=O)C[N@@H+](C)C(C)C)N1CC[NH+](C)CC1 ZINC000112913928 349795121 /nfs/dbraw/zinc/79/51/21/349795121.db2.gz JMFQNZZSMMSDMJ-OAHLLOKOSA-N 2 2 298.475 0.715 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[NH+]2C2CC2)[C@H](C)CO1 ZINC000617726195 365734018 /nfs/dbraw/zinc/73/40/18/365734018.db2.gz UCNOVRHXUXUFKX-NFAWXSAZSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[NH+]2C2CC2)[C@H](C)CO1 ZINC000617726195 365734022 /nfs/dbraw/zinc/73/40/22/365734022.db2.gz UCNOVRHXUXUFKX-NFAWXSAZSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)[C@H](C)CO1 ZINC000617726195 365734026 /nfs/dbraw/zinc/73/40/26/365734026.db2.gz UCNOVRHXUXUFKX-NFAWXSAZSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@H+]2C2CC2)[C@H](C)CO1 ZINC000617726195 365734028 /nfs/dbraw/zinc/73/40/28/365734028.db2.gz UCNOVRHXUXUFKX-NFAWXSAZSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC000600999601 362122824 /nfs/dbraw/zinc/12/28/24/362122824.db2.gz BGTVNYHRVGDWRW-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC000600999601 362122826 /nfs/dbraw/zinc/12/28/26/362122826.db2.gz BGTVNYHRVGDWRW-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000600999601 362122830 /nfs/dbraw/zinc/12/28/30/362122830.db2.gz BGTVNYHRVGDWRW-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000600999601 362122831 /nfs/dbraw/zinc/12/28/31/362122831.db2.gz BGTVNYHRVGDWRW-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP CS[C@H]1CN(c2nc(C)[nH+]c(N)n2)C[C@H]1[NH+](C)C ZINC000601134427 362154025 /nfs/dbraw/zinc/15/40/25/362154025.db2.gz CHTQCJHGEJMYMA-BDAKNGLRSA-N 2 2 268.390 0.074 20 0 CCADLP CC1CC[NH+](CCN(C)CC[NH+]2CCOCC2)CC1 ZINC000153911077 290681228 /nfs/dbraw/zinc/68/12/28/290681228.db2.gz ILUKNEUVIDOYSM-UHFFFAOYSA-N 2 2 269.433 0.982 20 0 CCADLP C[C@@H](CCNC(=O)[C@H](C)[NH+]1CCN(C)CC1)[NH+](C)C ZINC000617752714 365756160 /nfs/dbraw/zinc/75/61/60/365756160.db2.gz SUOJNIRTXDYEBX-STQMWFEESA-N 2 2 270.421 0.079 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(C(=O)C2CC2)CC1 ZINC000617762359 365764497 /nfs/dbraw/zinc/76/44/97/365764497.db2.gz NFIHIJOGELLUML-UHFFFAOYSA-N 2 2 295.427 0.745 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(C(=O)C2CC2)CC1 ZINC000617762359 365764502 /nfs/dbraw/zinc/76/45/02/365764502.db2.gz NFIHIJOGELLUML-UHFFFAOYSA-N 2 2 295.427 0.745 20 0 CCADLP Cc1cc(=O)[nH]cc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765877 365770641 /nfs/dbraw/zinc/77/06/41/365770641.db2.gz UJSUMMSNMSIFFF-UHFFFAOYSA-N 2 2 294.399 0.709 20 0 CCADLP Cc1cc(=O)[nH]cc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765877 365770650 /nfs/dbraw/zinc/77/06/50/365770650.db2.gz UJSUMMSNMSIFFF-UHFFFAOYSA-N 2 2 294.399 0.709 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000617762108 365765360 /nfs/dbraw/zinc/76/53/60/365765360.db2.gz HQKVTBQSPJETFK-MJBXVCDLSA-N 2 2 295.427 0.601 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000617762108 365765363 /nfs/dbraw/zinc/76/53/63/365765363.db2.gz HQKVTBQSPJETFK-MJBXVCDLSA-N 2 2 295.427 0.601 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCC2CCC2)C1 ZINC000113514165 349815915 /nfs/dbraw/zinc/81/59/15/349815915.db2.gz BYZDYACZOGWUKR-ZDUSSCGKSA-N 2 2 253.390 0.786 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC000113514165 349815920 /nfs/dbraw/zinc/81/59/20/349815920.db2.gz BYZDYACZOGWUKR-ZDUSSCGKSA-N 2 2 253.390 0.786 20 0 CCADLP CC[C@](C)(OC)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617763997 365767027 /nfs/dbraw/zinc/76/70/27/365767027.db2.gz FFZWZYSLNVHQTL-AWEZNQCLSA-N 2 2 273.421 0.801 20 0 CCADLP CC[C@](C)(OC)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617763997 365767030 /nfs/dbraw/zinc/76/70/30/365767030.db2.gz FFZWZYSLNVHQTL-AWEZNQCLSA-N 2 2 273.421 0.801 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc(CO)c1 ZINC000617764281 365769554 /nfs/dbraw/zinc/76/95/54/365769554.db2.gz QMYQIIRILZHKPN-UHFFFAOYSA-N 2 2 293.411 0.792 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc(CO)c1 ZINC000617764281 365769559 /nfs/dbraw/zinc/76/95/59/365769559.db2.gz QMYQIIRILZHKPN-UHFFFAOYSA-N 2 2 293.411 0.792 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccnc1 ZINC000617768465 365772902 /nfs/dbraw/zinc/77/29/02/365772902.db2.gz FHBOZHGZBHVIAA-UHFFFAOYSA-N 2 2 264.373 0.695 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccnc1 ZINC000617768465 365772910 /nfs/dbraw/zinc/77/29/10/365772910.db2.gz FHBOZHGZBHVIAA-UHFFFAOYSA-N 2 2 264.373 0.695 20 0 CCADLP Cc1nc(C)c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)o1 ZINC000617766494 365773322 /nfs/dbraw/zinc/77/33/22/365773322.db2.gz MOTKMLSXZKGHGL-UHFFFAOYSA-N 2 2 282.388 0.905 20 0 CCADLP Cc1nc(C)c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)o1 ZINC000617766494 365773325 /nfs/dbraw/zinc/77/33/25/365773325.db2.gz MOTKMLSXZKGHGL-UHFFFAOYSA-N 2 2 282.388 0.905 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1CC=CC1 ZINC000617766883 365773396 /nfs/dbraw/zinc/77/33/96/365773396.db2.gz XOXRRHZALXOPLN-UHFFFAOYSA-N 2 2 253.390 0.952 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1CC=CC1 ZINC000617766883 365773402 /nfs/dbraw/zinc/77/34/02/365773402.db2.gz XOXRRHZALXOPLN-UHFFFAOYSA-N 2 2 253.390 0.952 20 0 CCADLP Cc1[nH]ccc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765916 365771442 /nfs/dbraw/zinc/77/14/42/365771442.db2.gz WBYOAOIYMVGOBW-UHFFFAOYSA-N 2 2 266.389 0.936 20 0 CCADLP Cc1[nH]ccc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765916 365771444 /nfs/dbraw/zinc/77/14/44/365771444.db2.gz WBYOAOIYMVGOBW-UHFFFAOYSA-N 2 2 266.389 0.936 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCn1cccc1 ZINC000617766289 365771626 /nfs/dbraw/zinc/77/16/26/365771626.db2.gz FBZSUHPZTOGKHQ-UHFFFAOYSA-N 2 2 280.416 0.878 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCn1cccc1 ZINC000617766289 365771630 /nfs/dbraw/zinc/77/16/30/365771630.db2.gz FBZSUHPZTOGKHQ-UHFFFAOYSA-N 2 2 280.416 0.878 20 0 CCADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3CCCC[C@]3(C)[NH3+])C[C@@H]21 ZINC000423924502 529785003 /nfs/dbraw/zinc/78/50/03/529785003.db2.gz AGKUPSSZHQTOLH-CTASWTNQSA-N 2 2 295.427 0.826 20 0 CCADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3CCCC[C@]3(C)[NH3+])C[C@@H]21 ZINC000423924502 529785004 /nfs/dbraw/zinc/78/50/04/529785004.db2.gz AGKUPSSZHQTOLH-CTASWTNQSA-N 2 2 295.427 0.826 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H](CCO)C2CCOCC2)n1C ZINC000425332615 529810456 /nfs/dbraw/zinc/81/04/56/529810456.db2.gz CZIWIVPVDYBAIR-AWEZNQCLSA-N 2 2 296.415 0.753 20 0 CCADLP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428050327 529860299 /nfs/dbraw/zinc/86/02/99/529860299.db2.gz BARGQEMEVVSEIB-QWHCGFSZSA-N 2 2 251.374 0.539 20 0 CCADLP CN(CC1CC1)C(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428050327 529860300 /nfs/dbraw/zinc/86/03/00/529860300.db2.gz BARGQEMEVVSEIB-QWHCGFSZSA-N 2 2 251.374 0.539 20 0 CCADLP CC(C)C[C@H]([NH2+]Cc1c[nH+]cn1C)C(=O)NCC[NH+](C)C ZINC000157323560 290710101 /nfs/dbraw/zinc/71/01/01/290710101.db2.gz CLCUUCZXHGDAHB-AWEZNQCLSA-N 3 2 295.431 0.602 20 0 CCADLP CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)CC[NH3+] ZINC000423933583 529958136 /nfs/dbraw/zinc/95/81/36/529958136.db2.gz SEYHMNULMWWDNM-HOCLYGCPSA-N 2 2 291.395 0.866 20 0 CCADLP CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)CC[NH3+] ZINC000423933583 529958137 /nfs/dbraw/zinc/95/81/37/529958137.db2.gz SEYHMNULMWWDNM-HOCLYGCPSA-N 2 2 291.395 0.866 20 0 CCADLP C[NH2+]CCCNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000416947009 529968411 /nfs/dbraw/zinc/96/84/11/529968411.db2.gz OOZQKWUSFBWUSW-UHFFFAOYSA-N 2 2 275.356 0.786 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118842015 349908934 /nfs/dbraw/zinc/90/89/34/349908934.db2.gz OELMBVVYBXERQL-ZDUSSCGKSA-N 2 2 298.431 0.742 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118842015 349908937 /nfs/dbraw/zinc/90/89/37/349908937.db2.gz OELMBVVYBXERQL-ZDUSSCGKSA-N 2 2 298.431 0.742 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000118842015 349908938 /nfs/dbraw/zinc/90/89/38/349908938.db2.gz OELMBVVYBXERQL-ZDUSSCGKSA-N 2 2 298.431 0.742 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842015 349908940 /nfs/dbraw/zinc/90/89/40/349908940.db2.gz OELMBVVYBXERQL-ZDUSSCGKSA-N 2 2 298.431 0.742 20 0 CCADLP C[N@@H+]1CCC[C@H](N2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000361431815 530061109 /nfs/dbraw/zinc/06/11/09/530061109.db2.gz WWOQSZRCDZBAKO-AWEZNQCLSA-N 2 2 296.459 0.613 20 0 CCADLP C[N@H+]1CCC[C@H](N2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000361431815 530061110 /nfs/dbraw/zinc/06/11/10/530061110.db2.gz WWOQSZRCDZBAKO-AWEZNQCLSA-N 2 2 296.459 0.613 20 0 CCADLP COCC[NH+]1CCC([NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)CC1 ZINC000358209384 232063815 /nfs/dbraw/zinc/06/38/15/232063815.db2.gz WTDOEOYPBLSDSG-YUELXQCFSA-N 2 2 295.427 0.696 20 0 CCADLP O[C@@]1(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CCOC1 ZINC000358217693 232064982 /nfs/dbraw/zinc/06/49/82/232064982.db2.gz CSYGYDSOXDRULT-MRXNPFEDSA-N 2 2 291.395 0.787 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655243729 412518520 /nfs/dbraw/zinc/51/85/20/412518520.db2.gz IILCUTGMZPOIGZ-MELADBBJSA-N 2 2 285.432 0.942 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655243729 412518525 /nfs/dbraw/zinc/51/85/25/412518525.db2.gz IILCUTGMZPOIGZ-MELADBBJSA-N 2 2 285.432 0.942 20 0 CCADLP CCC[NH+](C)CC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655243729 412518528 /nfs/dbraw/zinc/51/85/28/412518528.db2.gz IILCUTGMZPOIGZ-MELADBBJSA-N 2 2 285.432 0.942 20 0 CCADLP CCC[NH+](C)CC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655243729 412518530 /nfs/dbraw/zinc/51/85/30/412518530.db2.gz IILCUTGMZPOIGZ-MELADBBJSA-N 2 2 285.432 0.942 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000602515363 362651666 /nfs/dbraw/zinc/65/16/66/362651666.db2.gz WSWNHDNBJUMHQP-NWDGAFQWSA-N 2 2 285.388 0.080 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000602515363 362651668 /nfs/dbraw/zinc/65/16/68/362651668.db2.gz WSWNHDNBJUMHQP-NWDGAFQWSA-N 2 2 285.388 0.080 20 0 CCADLP C[C@H]1CN(C(=O)c2c[nH+]ccc2N)C[C@H]1[NH+]1CCOCC1 ZINC000188269398 290791339 /nfs/dbraw/zinc/79/13/39/290791339.db2.gz SJEUWSFURHFYFV-SMDDNHRTSA-N 2 2 290.367 0.457 20 0 CCADLP CC[C@H](C(=O)N1CC[NH+](C)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000339238365 215032790 /nfs/dbraw/zinc/03/27/90/215032790.db2.gz MMIFWUQMZNHUMN-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@H](C(=O)N1CC[NH+](C)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000339238365 215032791 /nfs/dbraw/zinc/03/27/91/215032791.db2.gz MMIFWUQMZNHUMN-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@H]1CC[N@H+](CCc2c[nH+]cn2C)CC[S@]1=O ZINC000602823552 362820511 /nfs/dbraw/zinc/82/05/11/362820511.db2.gz VLSYNRBYLMJKBU-APPDUMDISA-N 2 2 255.387 0.806 20 0 CCADLP C[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)CC[S@]1=O ZINC000602823552 362820512 /nfs/dbraw/zinc/82/05/12/362820512.db2.gz VLSYNRBYLMJKBU-APPDUMDISA-N 2 2 255.387 0.806 20 0 CCADLP CCNC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069858189 136776605 /nfs/dbraw/zinc/77/66/05/136776605.db2.gz HZRIKPABZDQZSB-CQSZACIVSA-N 2 2 283.416 0.557 20 0 CCADLP CCNC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069858189 136776606 /nfs/dbraw/zinc/77/66/06/136776606.db2.gz HZRIKPABZDQZSB-CQSZACIVSA-N 2 2 283.416 0.557 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000618189750 365918354 /nfs/dbraw/zinc/91/83/54/365918354.db2.gz UXDWBJQSRQWVCQ-GFCCVEGCSA-N 2 2 262.357 0.466 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000618190273 365920452 /nfs/dbraw/zinc/92/04/52/365920452.db2.gz MDUJAHSJAFYCAN-LBPRGKRZSA-N 2 2 262.357 0.466 20 0 CCADLP O=c1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)nc2ccccn12 ZINC000261595922 137011239 /nfs/dbraw/zinc/01/12/39/137011239.db2.gz AABORFKWNGKMSK-OLZOCXBDSA-N 2 2 284.363 0.736 20 0 CCADLP O=c1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)nc2ccccn12 ZINC000261595922 137011240 /nfs/dbraw/zinc/01/12/40/137011240.db2.gz AABORFKWNGKMSK-OLZOCXBDSA-N 2 2 284.363 0.736 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261620955 137012787 /nfs/dbraw/zinc/01/27/87/137012787.db2.gz AVWXCHPESSTSNF-FRRDWIJNSA-N 2 2 269.389 0.341 20 0 CCADLP NC(=O)c1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261662827 137014704 /nfs/dbraw/zinc/01/47/04/137014704.db2.gz ZFISWXSJYNOPER-ZIAGYGMSSA-N 2 2 259.353 0.969 20 0 CCADLP NC(=O)c1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261662827 137014705 /nfs/dbraw/zinc/01/47/05/137014705.db2.gz ZFISWXSJYNOPER-ZIAGYGMSSA-N 2 2 259.353 0.969 20 0 CCADLP FC(F)(F)COCC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261662857 137014723 /nfs/dbraw/zinc/01/47/23/137014723.db2.gz ZFTRDJMJUPPBQU-NSHDSACASA-N 2 2 281.322 0.545 20 0 CCADLP C[C@@H](C(=O)NCc1cn2ccccc2[nH+]1)C1C[NH2+]C1 ZINC000262386196 137041521 /nfs/dbraw/zinc/04/15/21/137041521.db2.gz NOYGNGUXSKMUEM-SNVBAGLBSA-N 2 2 258.325 0.806 20 0 CCADLP Cn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)c1 ZINC000262559657 137047000 /nfs/dbraw/zinc/04/70/00/137047000.db2.gz VYJUCUOESVVXGU-STQMWFEESA-N 2 2 286.335 0.748 20 0 CCADLP CC(C)[C@H](CNC(=O)C[NH2+]CC1CC1)[NH+]1CCOCC1 ZINC000262671110 137050173 /nfs/dbraw/zinc/05/01/73/137050173.db2.gz OHHDETZODOBCBI-AWEZNQCLSA-N 2 2 283.416 0.459 20 0 CCADLP CC1CC[NH+](CCNC(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263014724 137056833 /nfs/dbraw/zinc/05/68/33/137056833.db2.gz QEYNSFQGPOKZTG-LLVKDONJSA-N 2 2 275.343 0.832 20 0 CCADLP Cn1cc[nH+]c1CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261806796 137021073 /nfs/dbraw/zinc/02/10/73/137021073.db2.gz WJHUPOIYNUORDH-ZDUSSCGKSA-N 2 2 257.341 0.962 20 0 CCADLP Cn1ccnc1[C@@H]1C[NH2+]CCN1Cc1c[nH+]cn1C ZINC000261831929 137021795 /nfs/dbraw/zinc/02/17/95/137021795.db2.gz VPAVFEAPVPYBKR-LBPRGKRZSA-N 2 2 260.345 0.300 20 0 CCADLP C[C@@H]([NH3+])CC(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000261847421 137022641 /nfs/dbraw/zinc/02/26/41/137022641.db2.gz OLDQELCBEIDFMJ-VXGBXAGGSA-N 2 2 292.383 0.660 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C[C@H](C)O1 ZINC000261854303 137022687 /nfs/dbraw/zinc/02/26/87/137022687.db2.gz XAEPNYZSQUBGGC-CRWXNKLISA-N 2 2 281.400 0.306 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C[C@H](C)O1 ZINC000261854303 137022688 /nfs/dbraw/zinc/02/26/88/137022688.db2.gz XAEPNYZSQUBGGC-CRWXNKLISA-N 2 2 281.400 0.306 20 0 CCADLP CCn1cc(C[N@H+](CCO)C[C@H]2CCC[NH2+]C2)cn1 ZINC000261853958 137022944 /nfs/dbraw/zinc/02/29/44/137022944.db2.gz SZKVPOCEGWJRAW-ZDUSSCGKSA-N 2 2 266.389 0.697 20 0 CCADLP CCn1cc(C[N@@H+](CCO)C[C@H]2CCC[NH2+]C2)cn1 ZINC000261853958 137022945 /nfs/dbraw/zinc/02/29/45/137022945.db2.gz SZKVPOCEGWJRAW-ZDUSSCGKSA-N 2 2 266.389 0.697 20 0 CCADLP O=C(CC[C@H]1CC[NH2+]C1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000261908476 137025290 /nfs/dbraw/zinc/02/52/90/137025290.db2.gz WDGOKRMBXFLDJI-ZDUSSCGKSA-N 2 2 291.399 0.444 20 0 CCADLP C[C@@]1(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CC[NH2+]C1 ZINC000261922324 137025892 /nfs/dbraw/zinc/02/58/92/137025892.db2.gz BTKZHKCTTRZEEO-LSDHHAIUSA-N 3 2 267.417 0.640 20 0 CCADLP C1CC1[N@@H+]1CC[C@@H](N[C@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261971489 137026787 /nfs/dbraw/zinc/02/67/87/137026787.db2.gz QPQJDNIERBKBKD-OJLVUWQFSA-N 2 2 279.428 0.970 20 0 CCADLP C1CC1[N@H+]1CC[C@@H](N[C@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261971489 137026788 /nfs/dbraw/zinc/02/67/88/137026788.db2.gz QPQJDNIERBKBKD-OJLVUWQFSA-N 2 2 279.428 0.970 20 0 CCADLP COC[C@H]([NH3+])C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000262253964 137033259 /nfs/dbraw/zinc/03/32/59/137033259.db2.gz IVKHGYDPIGYDEC-NSHDSACASA-N 2 2 262.313 0.233 20 0 CCADLP C[C@H](C(=O)NCc1cn2c([nH+]1)CCCC2)C1C[NH2+]C1 ZINC000262318554 137037530 /nfs/dbraw/zinc/03/75/30/137037530.db2.gz DVXMTQFGDUNLRZ-JTQLQIEISA-N 2 2 262.357 0.691 20 0 CCADLP COC[C@@H]([NH3+])C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000262327186 137037865 /nfs/dbraw/zinc/03/78/65/137037865.db2.gz RETXBWQQDPRQFW-LLVKDONJSA-N 2 2 294.355 0.139 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)n1C ZINC000263294237 137062895 /nfs/dbraw/zinc/06/28/95/137062895.db2.gz WCZQKAGRWFHFQD-SECBINFHSA-N 2 2 287.314 0.100 20 0 CCADLP C[C@H](C(=O)NC1CCCCC1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000310924286 137072710 /nfs/dbraw/zinc/07/27/10/137072710.db2.gz GLPZXRXZLKTAPD-PWSUYJOCSA-N 2 2 257.378 0.075 20 0 CCADLP C[C@H](C(=O)NC1CCCCC1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000310924286 137072711 /nfs/dbraw/zinc/07/27/11/137072711.db2.gz GLPZXRXZLKTAPD-PWSUYJOCSA-N 2 2 257.378 0.075 20 0 CCADLP CCn1nc(C[N@H+](C)C[C@@H](O)C[NH3+])c2ccccc21 ZINC000312085371 137076635 /nfs/dbraw/zinc/07/66/35/137076635.db2.gz NNLGNBBFLUJTQS-NSHDSACASA-N 2 2 262.357 0.808 20 0 CCADLP CCn1nc(C[N@@H+](C)C[C@@H](O)C[NH3+])c2ccccc21 ZINC000312085371 137076636 /nfs/dbraw/zinc/07/66/36/137076636.db2.gz NNLGNBBFLUJTQS-NSHDSACASA-N 2 2 262.357 0.808 20 0 CCADLP CCC[C@@H](C(=O)OCC)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000312232082 137076707 /nfs/dbraw/zinc/07/67/07/137076707.db2.gz DAXDUFVCMDWNOO-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP [NH3+]CC[N@H+](CCO)CCC(=O)Nc1cc(F)cc(F)c1 ZINC000342413724 137092896 /nfs/dbraw/zinc/09/28/96/137092896.db2.gz JLSSUJMSNIMRIJ-UHFFFAOYSA-N 2 2 287.310 0.546 20 0 CCADLP [NH3+]CC[N@@H+](CCO)CCC(=O)Nc1cc(F)cc(F)c1 ZINC000342413724 137092897 /nfs/dbraw/zinc/09/28/97/137092897.db2.gz JLSSUJMSNIMRIJ-UHFFFAOYSA-N 2 2 287.310 0.546 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)CC[N@@H+]1C ZINC000263189821 137059868 /nfs/dbraw/zinc/05/98/68/137059868.db2.gz HSEDDQRMSNJWLA-OPRDCNLKSA-N 2 2 261.316 0.583 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)CC[N@H+]1C ZINC000263189821 137059869 /nfs/dbraw/zinc/05/98/69/137059869.db2.gz HSEDDQRMSNJWLA-OPRDCNLKSA-N 2 2 261.316 0.583 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCC[NH2+][C@H]1C)[NH+]1CCN(C)CC1 ZINC000343476401 137137248 /nfs/dbraw/zinc/13/72/48/137137248.db2.gz MVBLDFHSNGCYAX-MELADBBJSA-N 2 2 282.432 0.127 20 0 CCADLP C[C@H]1CN(C)C[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000343669814 137148276 /nfs/dbraw/zinc/14/82/76/137148276.db2.gz RHKYQPXDKBNVLP-JSGCOSHPSA-N 2 2 255.406 0.373 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NCC1=CC[N@H+](C)CC1 ZINC000343699868 137150912 /nfs/dbraw/zinc/15/09/12/137150912.db2.gz SRURVTRURDVMRU-UHFFFAOYSA-N 2 2 263.345 0.481 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000343699868 137150913 /nfs/dbraw/zinc/15/09/13/137150913.db2.gz SRURVTRURDVMRU-UHFFFAOYSA-N 2 2 263.345 0.481 20 0 CCADLP C[C@H]1[C@H](NC(=O)NCc2[nH+]ccn2C)CCC[N@@H+]1C ZINC000343763156 137155434 /nfs/dbraw/zinc/15/54/34/137155434.db2.gz TVRJHCLRNUCIET-WDEREUQCSA-N 2 2 265.361 0.702 20 0 CCADLP C[C@H]1[C@H](NC(=O)NCc2[nH+]ccn2C)CCC[N@H+]1C ZINC000343763156 137155435 /nfs/dbraw/zinc/15/54/35/137155435.db2.gz TVRJHCLRNUCIET-WDEREUQCSA-N 2 2 265.361 0.702 20 0 CCADLP C[C@@H]1CN(Cc2[nH]cc[nH+]2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343985445 137171274 /nfs/dbraw/zinc/17/12/74/137171274.db2.gz PNOXQPOGKAGICJ-ZIAGYGMSSA-N 2 2 277.416 0.868 20 0 CCADLP CCO[C@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C12CCC2 ZINC000344026039 137173757 /nfs/dbraw/zinc/17/37/57/137173757.db2.gz SUUOPGAWBWDEAD-KGLIPLIRSA-N 2 2 295.427 0.698 20 0 CCADLP CN(CCC[N@H+](C)Cc1ccon1)CC[NH+](C)C ZINC000344027012 137173946 /nfs/dbraw/zinc/17/39/46/137173946.db2.gz KMFFNDLMFIJSPY-UHFFFAOYSA-N 2 2 254.378 0.990 20 0 CCADLP CN(CCC[N@@H+](C)Cc1ccon1)CC[NH+](C)C ZINC000344027012 137173947 /nfs/dbraw/zinc/17/39/47/137173947.db2.gz KMFFNDLMFIJSPY-UHFFFAOYSA-N 2 2 254.378 0.990 20 0 CCADLP CC[C@H](C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)[NH+](C)C ZINC000344346810 137189155 /nfs/dbraw/zinc/18/91/55/137189155.db2.gz LOVDJBKXTVPCQY-JOYOIKCWSA-N 2 2 250.346 0.723 20 0 CCADLP CC[C@H](C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)[NH+](C)C ZINC000344346810 137189156 /nfs/dbraw/zinc/18/91/56/137189156.db2.gz LOVDJBKXTVPCQY-JOYOIKCWSA-N 2 2 250.346 0.723 20 0 CCADLP CC[C@H](C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)[NH+](C)C ZINC000344346808 137189575 /nfs/dbraw/zinc/18/95/75/137189575.db2.gz LOVDJBKXTVPCQY-BXKDBHETSA-N 2 2 250.346 0.723 20 0 CCADLP CC[C@H](C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)[NH+](C)C ZINC000344346808 137189576 /nfs/dbraw/zinc/18/95/76/137189576.db2.gz LOVDJBKXTVPCQY-BXKDBHETSA-N 2 2 250.346 0.723 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](O)COCC2CC2)C1 ZINC000344198744 137182672 /nfs/dbraw/zinc/18/26/72/137182672.db2.gz YOAJWFMHXFDZQR-FPMFFAJLSA-N 2 2 256.390 0.704 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](O)COCC2CC2)C1 ZINC000344198744 137182673 /nfs/dbraw/zinc/18/26/73/137182673.db2.gz YOAJWFMHXFDZQR-FPMFFAJLSA-N 2 2 256.390 0.704 20 0 CCADLP C[C@H]1CN(C)C[C@@H]1[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000344242638 137185701 /nfs/dbraw/zinc/18/57/01/137185701.db2.gz ZXQQVTLPFPDYFC-ZFWWWQNUSA-N 2 2 296.459 0.469 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000344256972 137186449 /nfs/dbraw/zinc/18/64/49/137186449.db2.gz HBIAFNJTYULXTE-KKUMJFAQSA-N 3 2 268.449 0.552 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000344256972 137186450 /nfs/dbraw/zinc/18/64/50/137186450.db2.gz HBIAFNJTYULXTE-KKUMJFAQSA-N 3 2 268.449 0.552 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000344631185 137204683 /nfs/dbraw/zinc/20/46/83/137204683.db2.gz OVJGPXWLNBKLLT-UMVBOHGHSA-N 2 2 277.416 0.929 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000344631185 137204684 /nfs/dbraw/zinc/20/46/84/137204684.db2.gz OVJGPXWLNBKLLT-UMVBOHGHSA-N 2 2 277.416 0.929 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000036999412 348178105 /nfs/dbraw/zinc/17/81/05/348178105.db2.gz SIRKSLRJLZYJCW-OCCSQVGLSA-N 2 2 272.352 0.958 20 0 CCADLP O=C([C@@H]1CSC[NH2+]1)N1CC[NH+](CC2CC2)CC1 ZINC000037816772 348209416 /nfs/dbraw/zinc/20/94/16/348209416.db2.gz BSGOQSAGIZALTG-NSHDSACASA-N 2 2 255.387 0.203 20 0 CCADLP CC[C@H](C(=O)N1CC[NH+](CCOC)CC1)[NH+](CC)CC ZINC000345680247 137245471 /nfs/dbraw/zinc/24/54/71/137245471.db2.gz ZBXNFRKQLWSUPD-CQSZACIVSA-N 2 2 285.432 0.897 20 0 CCADLP C[C@H]([NH2+]CC[NH3+])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000044493943 348321129 /nfs/dbraw/zinc/32/11/29/348321129.db2.gz RDFSRNDWYRISOZ-JTQLQIEISA-N 2 2 271.386 0.546 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[NH+](CC)CC2)CC1 ZINC000043304204 348306655 /nfs/dbraw/zinc/30/66/55/348306655.db2.gz WIVFMIJTQRPDBE-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP CC[N@H+](CCO)CC[NH2+][C@H](C)Cc1cccc(OC)n1 ZINC000346579292 137293468 /nfs/dbraw/zinc/29/34/68/137293468.db2.gz STVIUFBCUIBEJQ-CYBMUJFWSA-N 2 2 281.400 0.925 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+][C@H](C)Cc1cccc(OC)n1 ZINC000346579292 137293469 /nfs/dbraw/zinc/29/34/69/137293469.db2.gz STVIUFBCUIBEJQ-CYBMUJFWSA-N 2 2 281.400 0.925 20 0 CCADLP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CCC([NH3+])CC1 ZINC000346632776 137296164 /nfs/dbraw/zinc/29/61/64/137296164.db2.gz DXQXJQHRCJLDPQ-UHFFFAOYSA-N 2 2 293.415 0.488 20 0 CCADLP CC(C)c1nc(NCCC[N@@H+]2CCC[C@@H]2C(N)=O)cc[nH+]1 ZINC000347121600 137321082 /nfs/dbraw/zinc/32/10/82/137321082.db2.gz GXSPYYZZKBZPFD-GFCCVEGCSA-N 2 2 291.399 0.774 20 0 CCADLP CC(C)c1nc(NCCC[N@H+]2CCC[C@@H]2C(N)=O)cc[nH+]1 ZINC000347121600 137321083 /nfs/dbraw/zinc/32/10/83/137321083.db2.gz GXSPYYZZKBZPFD-GFCCVEGCSA-N 2 2 291.399 0.774 20 0 CCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CC[C@@H](O)C(F)(F)F)C1 ZINC000349335686 137392023 /nfs/dbraw/zinc/39/20/23/137392023.db2.gz VSXRFNDAOAAKPS-NXEZZACHSA-N 2 2 270.295 0.610 20 0 CCADLP COCC[N@H+]1CC[C@@H]([NH2+]CC[C@@H](O)C(F)(F)F)C1 ZINC000349335686 137392024 /nfs/dbraw/zinc/39/20/24/137392024.db2.gz VSXRFNDAOAAKPS-NXEZZACHSA-N 2 2 270.295 0.610 20 0 CCADLP CCOC(=O)COCC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000347753039 137354549 /nfs/dbraw/zinc/35/45/49/137354549.db2.gz CFZJVKPNDVISSI-UHFFFAOYSA-N 2 2 296.371 0.122 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCN2CCOC[C@H]2C)C1 ZINC000347767258 137355601 /nfs/dbraw/zinc/35/56/01/137355601.db2.gz CNGOXFFSJZGRBM-BFHYXJOUSA-N 2 2 255.406 0.637 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCN2CCOC[C@H]2C)C1 ZINC000347767258 137355602 /nfs/dbraw/zinc/35/56/02/137355602.db2.gz CNGOXFFSJZGRBM-BFHYXJOUSA-N 2 2 255.406 0.637 20 0 CCADLP CC[NH+](CC)CCOCCNc1cc(C)[nH+]cn1 ZINC000347861818 137360859 /nfs/dbraw/zinc/36/08/59/137360859.db2.gz VCAWHIASDLKRSO-UHFFFAOYSA-N 2 2 252.362 0.977 20 0 CCADLP CN(CCC[NH+]1CCCC1)C(=O)[C@H]1COCC[N@@H+]1C ZINC000347941017 137365154 /nfs/dbraw/zinc/36/51/54/137365154.db2.gz FRAZKYPTPTTYRB-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP CN(CCC[NH+]1CCCC1)C(=O)[C@H]1COCC[N@H+]1C ZINC000347941017 137365155 /nfs/dbraw/zinc/36/51/55/137365155.db2.gz FRAZKYPTPTTYRB-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP C[NH+](C)CCNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC000120653092 349998428 /nfs/dbraw/zinc/99/84/28/349998428.db2.gz ZHPDHDQCAOJXLO-UHFFFAOYSA-N 2 2 267.398 0.784 20 0 CCADLP C[NH+](C)CCNC(=O)C[N@H+]1CCc2sccc2C1 ZINC000120653092 349998432 /nfs/dbraw/zinc/99/84/32/349998432.db2.gz ZHPDHDQCAOJXLO-UHFFFAOYSA-N 2 2 267.398 0.784 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](CCC(=O)OC(C)(C)C)CC1 ZINC000055058788 348568581 /nfs/dbraw/zinc/56/85/81/348568581.db2.gz BQTJWRFAEXPOSZ-UHFFFAOYSA-N 2 2 299.415 0.424 20 0 CCADLP C[N@@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)C3CC3)CC2)C1 ZINC000061988660 348662113 /nfs/dbraw/zinc/66/21/13/348662113.db2.gz DQJRPPPDNGOTFM-CYBMUJFWSA-N 2 2 251.374 0.681 20 0 CCADLP C[N@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)C3CC3)CC2)C1 ZINC000061988660 348662114 /nfs/dbraw/zinc/66/21/14/348662114.db2.gz DQJRPPPDNGOTFM-CYBMUJFWSA-N 2 2 251.374 0.681 20 0 CCADLP O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CCn2cc[nH+]c2C1 ZINC000062254733 348666542 /nfs/dbraw/zinc/66/65/42/348666542.db2.gz SWUMIEQTAXMRQW-AWEZNQCLSA-N 2 2 282.347 0.940 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000065511539 348719069 /nfs/dbraw/zinc/71/90/69/348719069.db2.gz ZGKUAFPXEKAVNN-MRXNPFEDSA-N 2 2 278.396 0.984 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000065511539 348719071 /nfs/dbraw/zinc/71/90/71/348719071.db2.gz ZGKUAFPXEKAVNN-MRXNPFEDSA-N 2 2 278.396 0.984 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000065511539 348719074 /nfs/dbraw/zinc/71/90/74/348719074.db2.gz ZGKUAFPXEKAVNN-MRXNPFEDSA-N 2 2 278.396 0.984 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000065511539 348719077 /nfs/dbraw/zinc/71/90/77/348719077.db2.gz ZGKUAFPXEKAVNN-MRXNPFEDSA-N 2 2 278.396 0.984 20 0 CCADLP CC[NH+]1CCN(C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000066475105 348743991 /nfs/dbraw/zinc/74/39/91/348743991.db2.gz OWLCTJPZYONZIM-QLFBSQMISA-N 2 2 285.432 0.094 20 0 CCADLP CC[NH+]1CCN(C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000066475105 348743993 /nfs/dbraw/zinc/74/39/93/348743993.db2.gz OWLCTJPZYONZIM-QLFBSQMISA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)[C@H](C)CO1 ZINC000068299047 348806796 /nfs/dbraw/zinc/80/67/96/348806796.db2.gz WIICCKPKEALYOI-CHWSQXEVSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)[C@H](C)CO1 ZINC000068299047 348806799 /nfs/dbraw/zinc/80/67/99/348806799.db2.gz WIICCKPKEALYOI-CHWSQXEVSA-N 2 2 295.427 0.839 20 0 CCADLP COCCN(CC[NH+](C)C)C(=O)c1ccc2[nH+]ccn2c1 ZINC000068425262 348809546 /nfs/dbraw/zinc/80/95/46/348809546.db2.gz JWGVLVATZCAPLJ-UHFFFAOYSA-N 2 2 290.367 0.985 20 0 CCADLP CC[C@H](OC)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000068467687 348811592 /nfs/dbraw/zinc/81/15/92/348811592.db2.gz QXWFYHSVZCGYJD-AWEZNQCLSA-N 2 2 285.432 0.896 20 0 CCADLP CC[C@H](OC)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000068467687 348811596 /nfs/dbraw/zinc/81/15/96/348811596.db2.gz QXWFYHSVZCGYJD-AWEZNQCLSA-N 2 2 285.432 0.896 20 0 CCADLP COC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069856713 348863481 /nfs/dbraw/zinc/86/34/81/348863481.db2.gz SFCKWGIAWCUBBA-CYBMUJFWSA-N 2 2 270.373 0.594 20 0 CCADLP COC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069856713 348863482 /nfs/dbraw/zinc/86/34/82/348863482.db2.gz SFCKWGIAWCUBBA-CYBMUJFWSA-N 2 2 270.373 0.594 20 0 CCADLP CCOC(=O)[C@]1(C)C[N@H+](CCn2cc[nH+]c2C)CCO1 ZINC000603004000 362932122 /nfs/dbraw/zinc/93/21/22/362932122.db2.gz IGDHCIRLIWQWRK-AWEZNQCLSA-N 2 2 281.356 0.846 20 0 CCADLP CCOC(=O)[C@]1(C)C[N@@H+](CCn2cc[nH+]c2C)CCO1 ZINC000603004000 362932128 /nfs/dbraw/zinc/93/21/28/362932128.db2.gz IGDHCIRLIWQWRK-AWEZNQCLSA-N 2 2 281.356 0.846 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C2CCC(C(N)=O)CC2)n1C ZINC000070143515 348873685 /nfs/dbraw/zinc/87/36/85/348873685.db2.gz FILMJWDGMPVABL-UHFFFAOYSA-N 2 2 279.388 0.620 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000070173905 348876917 /nfs/dbraw/zinc/87/69/17/348876917.db2.gz WUKPCEIVOOZYPL-RYUDHWBXSA-N 2 2 296.415 0.814 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000070173905 348876921 /nfs/dbraw/zinc/87/69/21/348876921.db2.gz WUKPCEIVOOZYPL-RYUDHWBXSA-N 2 2 296.415 0.814 20 0 CCADLP NC(=[NH2+])NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000071597691 348910447 /nfs/dbraw/zinc/91/04/47/348910447.db2.gz POHCLHHVOHHBFG-UHFFFAOYSA-N 2 2 265.336 0.431 20 0 CCADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Cn1cc[nH+]c1 ZINC000073427210 348951722 /nfs/dbraw/zinc/95/17/22/348951722.db2.gz YSBQMKMCHMTDRG-CYBMUJFWSA-N 2 2 280.372 0.452 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000073555948 348954195 /nfs/dbraw/zinc/95/41/95/348954195.db2.gz WZICKEOGUVGBCB-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000073555948 348954197 /nfs/dbraw/zinc/95/41/97/348954197.db2.gz WZICKEOGUVGBCB-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP O=C([C@@H]1CSC[NH2+]1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000074892596 349012373 /nfs/dbraw/zinc/01/23/73/349012373.db2.gz XNIVDDUBFDFKRX-JTQLQIEISA-N 2 2 266.370 0.778 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357079348 535090303 /nfs/dbraw/zinc/09/03/03/535090303.db2.gz SDZMDDGVGBREPS-CHWSQXEVSA-N 2 2 274.430 0.741 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357079348 535090309 /nfs/dbraw/zinc/09/03/09/535090309.db2.gz SDZMDDGVGBREPS-CHWSQXEVSA-N 2 2 274.430 0.741 20 0 CCADLP O=C(NCCn1cc[nH+]c1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000079254368 349171498 /nfs/dbraw/zinc/17/14/98/349171498.db2.gz CESNCXAGXWEQSO-LBPRGKRZSA-N 2 2 277.372 0.667 20 0 CCADLP O=C(NCCn1cc[nH+]c1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000079254368 349171500 /nfs/dbraw/zinc/17/15/00/349171500.db2.gz CESNCXAGXWEQSO-LBPRGKRZSA-N 2 2 277.372 0.667 20 0 CCADLP C[N@@H+]1CCc2nc(NC(=O)C(C)(C)[NH3+])sc2C1 ZINC000082257242 349292607 /nfs/dbraw/zinc/29/26/07/349292607.db2.gz MBIVBQVUCRZICX-UHFFFAOYSA-N 2 2 254.359 0.807 20 0 CCADLP C[N@H+]1CCc2nc(NC(=O)C(C)(C)[NH3+])sc2C1 ZINC000082257242 349292610 /nfs/dbraw/zinc/29/26/10/349292610.db2.gz MBIVBQVUCRZICX-UHFFFAOYSA-N 2 2 254.359 0.807 20 0 CCADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081633357 349278769 /nfs/dbraw/zinc/27/87/69/349278769.db2.gz WTEHHUNQDJUDPG-GFCCVEGCSA-N 2 2 282.388 0.106 20 0 CCADLP CNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081633357 349278773 /nfs/dbraw/zinc/27/87/73/349278773.db2.gz WTEHHUNQDJUDPG-GFCCVEGCSA-N 2 2 282.388 0.106 20 0 CCADLP CNC(=O)NC(=O)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081633357 349278777 /nfs/dbraw/zinc/27/87/77/349278777.db2.gz WTEHHUNQDJUDPG-GFCCVEGCSA-N 2 2 282.388 0.106 20 0 CCADLP CNC(=O)NC(=O)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081633357 349278781 /nfs/dbraw/zinc/27/87/81/349278781.db2.gz WTEHHUNQDJUDPG-GFCCVEGCSA-N 2 2 282.388 0.106 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000121183527 350026503 /nfs/dbraw/zinc/02/65/03/350026503.db2.gz GFKWXSZHTVQIHH-HNNXBMFYSA-N 3 2 296.459 0.424 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000121183527 350026507 /nfs/dbraw/zinc/02/65/07/350026507.db2.gz GFKWXSZHTVQIHH-HNNXBMFYSA-N 3 2 296.459 0.424 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000121183527 350026511 /nfs/dbraw/zinc/02/65/11/350026511.db2.gz GFKWXSZHTVQIHH-HNNXBMFYSA-N 3 2 296.459 0.424 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000121183527 350026514 /nfs/dbraw/zinc/02/65/14/350026514.db2.gz GFKWXSZHTVQIHH-HNNXBMFYSA-N 3 2 296.459 0.424 20 0 CCADLP CC(C)NC(=O)CC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926327 349412591 /nfs/dbraw/zinc/41/25/91/349412591.db2.gz SIVCNXCAEHQRQG-UHFFFAOYSA-N 2 2 279.388 0.457 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CCCO2)CC1 ZINC000123608380 350078014 /nfs/dbraw/zinc/07/80/14/350078014.db2.gz TZVHWVAKLZSXAZ-ZDUSSCGKSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H](O)C[C@@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000123777938 350082895 /nfs/dbraw/zinc/08/28/95/350082895.db2.gz VOAQEBIKSICSJN-KGLIPLIRSA-N 2 2 283.416 0.386 20 0 CCADLP C[C@@H](O)C[C@@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000123777938 350082898 /nfs/dbraw/zinc/08/28/98/350082898.db2.gz VOAQEBIKSICSJN-KGLIPLIRSA-N 2 2 283.416 0.386 20 0 CCADLP C[N@H+]1CCN(C(=O)Nc2cccc(F)c2)[C@@H](C[NH3+])C1 ZINC000122670231 350068145 /nfs/dbraw/zinc/06/81/45/350068145.db2.gz GTNDKSJAELDGOA-LBPRGKRZSA-N 2 2 266.320 0.932 20 0 CCADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NC2CCOCC2)CC[N@@H+]1C ZINC000124041591 350087840 /nfs/dbraw/zinc/08/78/40/350087840.db2.gz JZCSECVZMZCLLT-OCCSQVGLSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NC2CCOCC2)CC[N@H+]1C ZINC000124041591 350087843 /nfs/dbraw/zinc/08/78/43/350087843.db2.gz JZCSECVZMZCLLT-OCCSQVGLSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)NC2CCOCC2)CC[NH+]1C ZINC000124041591 350087846 /nfs/dbraw/zinc/08/78/46/350087846.db2.gz JZCSECVZMZCLLT-OCCSQVGLSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NC2CCOCC2)CC[NH+]1C ZINC000124041591 350087848 /nfs/dbraw/zinc/08/78/48/350087848.db2.gz JZCSECVZMZCLLT-OCCSQVGLSA-N 2 2 283.416 0.696 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2ccc(F)cc2F)[C@H](C[NH3+])C1 ZINC000124299836 350094586 /nfs/dbraw/zinc/09/45/86/350094586.db2.gz LPLLVSVDEJJBHB-GFCCVEGCSA-N 2 2 283.322 0.609 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2ccc(F)cc2F)[C@H](C[NH3+])C1 ZINC000124299836 350094587 /nfs/dbraw/zinc/09/45/87/350094587.db2.gz LPLLVSVDEJJBHB-GFCCVEGCSA-N 2 2 283.322 0.609 20 0 CCADLP Cn1nccc1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000125139041 350115066 /nfs/dbraw/zinc/11/50/66/350115066.db2.gz PQIGFMPQPSQKGQ-UHFFFAOYSA-N 2 2 294.403 0.568 20 0 CCADLP C[N@H+](CC[C@@H]1CCC[NH+]1C)CC(=O)N1CCOCC1 ZINC000125156223 350116376 /nfs/dbraw/zinc/11/63/76/350116376.db2.gz FANDVLBMKCZECC-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP C[N@@H+](CC[C@@H]1CCC[NH+]1C)CC(=O)N1CCOCC1 ZINC000125156223 350116378 /nfs/dbraw/zinc/11/63/78/350116378.db2.gz FANDVLBMKCZECC-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP C[NH+](CC[C@@H]1CCC[N@@H+]1C)CC(=O)N1CCOCC1 ZINC000125156223 350116381 /nfs/dbraw/zinc/11/63/81/350116381.db2.gz FANDVLBMKCZECC-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP C[NH+](CC[C@@H]1CCC[N@H+]1C)CC(=O)N1CCOCC1 ZINC000125156223 350116383 /nfs/dbraw/zinc/11/63/83/350116383.db2.gz FANDVLBMKCZECC-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP Nc1cc(N)[nH+]c(SCC[N@@H+]2CCCOCC2)n1 ZINC000412984155 233298820 /nfs/dbraw/zinc/29/88/20/233298820.db2.gz PQTBDZWVVXRQKI-UHFFFAOYSA-N 2 2 269.374 0.286 20 0 CCADLP Nc1cc(N)[nH+]c(SCC[N@H+]2CCCOCC2)n1 ZINC000412984155 233298830 /nfs/dbraw/zinc/29/88/30/233298830.db2.gz PQTBDZWVVXRQKI-UHFFFAOYSA-N 2 2 269.374 0.286 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCCn2cccn2)n1C ZINC000126256691 350141437 /nfs/dbraw/zinc/14/14/37/350141437.db2.gz CVRDYUXTBMITAZ-UHFFFAOYSA-N 2 2 262.361 0.863 20 0 CCADLP C[NH2+]CCC[N@H+](C)CC(=O)NCc1cccc(OC)c1 ZINC000127227367 350164784 /nfs/dbraw/zinc/16/47/84/350164784.db2.gz AWERVELEZCDAFJ-UHFFFAOYSA-N 2 2 279.384 0.853 20 0 CCADLP C[NH2+]CCC[N@@H+](C)CC(=O)NCc1cccc(OC)c1 ZINC000127227367 350164785 /nfs/dbraw/zinc/16/47/85/350164785.db2.gz AWERVELEZCDAFJ-UHFFFAOYSA-N 2 2 279.384 0.853 20 0 CCADLP CC(C)(C[NH3+])C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000128022971 350183489 /nfs/dbraw/zinc/18/34/89/350183489.db2.gz SYOQFHDVJVSEKB-UHFFFAOYSA-N 2 2 292.383 0.519 20 0 CCADLP C[C@@H](NC(=O)NC1CC[NH+](C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000105079658 186041031 /nfs/dbraw/zinc/04/10/31/186041031.db2.gz MQVWTOXSPKYPJB-CHWSQXEVSA-N 2 2 298.431 0.489 20 0 CCADLP Cc1ccc(C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)o1 ZINC000129049325 350204133 /nfs/dbraw/zinc/20/41/33/350204133.db2.gz YQOQLKOJSSNQIW-UHFFFAOYSA-N 2 2 265.357 0.794 20 0 CCADLP Cc1ccc(C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)o1 ZINC000129049325 350204138 /nfs/dbraw/zinc/20/41/38/350204138.db2.gz YQOQLKOJSSNQIW-UHFFFAOYSA-N 2 2 265.357 0.794 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NC(=O)NC1CCCCC1 ZINC000129064702 350204651 /nfs/dbraw/zinc/20/46/51/350204651.db2.gz ADKWVIKBLVOSSV-NEPJUHHUSA-N 2 2 296.415 0.957 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NC(=O)NC1CCCCC1 ZINC000129064702 350204653 /nfs/dbraw/zinc/20/46/53/350204653.db2.gz ADKWVIKBLVOSSV-NEPJUHHUSA-N 2 2 296.415 0.957 20 0 CCADLP CC[C@@H]([NH3+])C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000130389858 350237082 /nfs/dbraw/zinc/23/70/82/350237082.db2.gz UPUJJXMNPQLIKD-YPMHNXCESA-N 2 2 287.429 0.048 20 0 CCADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(C)C2=O)C1 ZINC000130433984 350238249 /nfs/dbraw/zinc/23/82/49/350238249.db2.gz PFGDTZXWKAJWEE-VXGBXAGGSA-N 2 2 290.367 0.432 20 0 CCADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(C)C2=O)C1 ZINC000130433984 350238252 /nfs/dbraw/zinc/23/82/52/350238252.db2.gz PFGDTZXWKAJWEE-VXGBXAGGSA-N 2 2 290.367 0.432 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000130831797 350250852 /nfs/dbraw/zinc/25/08/52/350250852.db2.gz PFDJDDRMJFSJLK-UHFFFAOYSA-N 2 2 277.368 0.598 20 0 CCADLP Cn1c(C[NH2+]C[C@@](C)(O)C[NH+](C)C)nc2ccccc21 ZINC000131363848 350274088 /nfs/dbraw/zinc/27/40/88/350274088.db2.gz WBJQKZGLAAJPQA-OAHLLOKOSA-N 2 2 276.384 0.976 20 0 CCADLP CC(C)(CNC(=O)CC[C@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000134538130 350368490 /nfs/dbraw/zinc/36/84/90/350368490.db2.gz BLLNPVIFVGDHTC-ZDUSSCGKSA-N 2 2 283.416 0.603 20 0 CCADLP CC[C@@]1(C(=O)NC[C@H](C)[NH+]2CCOCC2)CCC[NH2+]1 ZINC000134568286 350369413 /nfs/dbraw/zinc/36/94/13/350369413.db2.gz VNWSZRZUBMNCKB-JSGCOSHPSA-N 2 2 269.389 0.356 20 0 CCADLP COc1c(N)[nH+]cnc1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000134928027 350380020 /nfs/dbraw/zinc/38/00/20/350380020.db2.gz NVFQFJAGWPPXTC-BDAKNGLRSA-N 2 2 251.334 0.962 20 0 CCADLP COc1c(N)[nH+]cnc1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000134928027 350380022 /nfs/dbraw/zinc/38/00/22/350380022.db2.gz NVFQFJAGWPPXTC-BDAKNGLRSA-N 2 2 251.334 0.962 20 0 CCADLP COc1c(N)nc[nH+]c1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000134928027 350380024 /nfs/dbraw/zinc/38/00/24/350380024.db2.gz NVFQFJAGWPPXTC-BDAKNGLRSA-N 2 2 251.334 0.962 20 0 CCADLP COc1c(N)nc[nH+]c1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000134928027 350380026 /nfs/dbraw/zinc/38/00/26/350380026.db2.gz NVFQFJAGWPPXTC-BDAKNGLRSA-N 2 2 251.334 0.962 20 0 CCADLP CC[NH+]1CCN(CC(=O)N2CC[NH+](C(C)C)CC2)CC1 ZINC000145748680 350465999 /nfs/dbraw/zinc/46/59/99/350465999.db2.gz LECNHMNBHDRKQJ-UHFFFAOYSA-N 2 2 282.432 0.177 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CCSC)CC1 ZINC000152590437 350534198 /nfs/dbraw/zinc/53/41/98/350534198.db2.gz PCCVPEDCUAGTMA-LBPRGKRZSA-N 2 2 273.446 0.834 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CCSC)CC1 ZINC000152590437 350534201 /nfs/dbraw/zinc/53/42/01/350534201.db2.gz PCCVPEDCUAGTMA-LBPRGKRZSA-N 2 2 273.446 0.834 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)[C@@H]1CCOC1 ZINC000155290494 350614640 /nfs/dbraw/zinc/61/46/40/350614640.db2.gz RWMYELCCQVAQPH-RRFJBIMHSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)[C@@H]1CCOC1 ZINC000155290494 350614641 /nfs/dbraw/zinc/61/46/41/350614641.db2.gz RWMYELCCQVAQPH-RRFJBIMHSA-N 2 2 297.443 0.944 20 0 CCADLP Cc1cc(NC(=O)C[NH+]2CCC([C@H](C)[NH3+])CC2)on1 ZINC000110649277 186309969 /nfs/dbraw/zinc/30/99/69/186309969.db2.gz SPLLUPVRQXNYLK-JTQLQIEISA-N 2 2 266.345 0.981 20 0 CCADLP COC[C@@H]([NH3+])C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000159150460 350670912 /nfs/dbraw/zinc/67/09/12/350670912.db2.gz IQEJKNFBRQLMIB-GFCCVEGCSA-N 2 2 278.356 0.140 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCOCC2CC2)CC1 ZINC000162690607 350750269 /nfs/dbraw/zinc/75/02/69/350750269.db2.gz ZHAHFCBPBXYFAC-HNNXBMFYSA-N 2 2 295.427 0.651 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCOCC2CC2)CC1 ZINC000162690607 350750272 /nfs/dbraw/zinc/75/02/72/350750272.db2.gz ZHAHFCBPBXYFAC-HNNXBMFYSA-N 2 2 295.427 0.651 20 0 CCADLP Cn1nc2c(cc1=O)C[N@@H+](CC[C@@H]1CCC[NH+]1C)CC2 ZINC000163224097 350762639 /nfs/dbraw/zinc/76/26/39/350762639.db2.gz GXHQGDYQWPSZTB-ZDUSSCGKSA-N 2 2 276.384 0.623 20 0 CCADLP Cn1nc2c(cc1=O)C[N@H+](CC[C@@H]1CCC[NH+]1C)CC2 ZINC000163224097 350762644 /nfs/dbraw/zinc/76/26/44/350762644.db2.gz GXHQGDYQWPSZTB-ZDUSSCGKSA-N 2 2 276.384 0.623 20 0 CCADLP Cn1nc2c(cc1=O)C[NH+](CC[C@@H]1CCC[N@@H+]1C)CC2 ZINC000163224097 350762646 /nfs/dbraw/zinc/76/26/46/350762646.db2.gz GXHQGDYQWPSZTB-ZDUSSCGKSA-N 2 2 276.384 0.623 20 0 CCADLP Cn1nc2c(cc1=O)C[NH+](CC[C@@H]1CCC[N@H+]1C)CC2 ZINC000163224097 350762651 /nfs/dbraw/zinc/76/26/51/350762651.db2.gz GXHQGDYQWPSZTB-ZDUSSCGKSA-N 2 2 276.384 0.623 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)CCCN1C(=O)CNC1=O ZINC000162305386 350740509 /nfs/dbraw/zinc/74/05/09/350740509.db2.gz DQLBQOKYPMHCKY-UHFFFAOYSA-N 2 2 279.344 0.147 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)CCCN1C(=O)CNC1=O ZINC000162305386 350740511 /nfs/dbraw/zinc/74/05/11/350740511.db2.gz DQLBQOKYPMHCKY-UHFFFAOYSA-N 2 2 279.344 0.147 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)CCCN1CCOCC1 ZINC000162302034 350740852 /nfs/dbraw/zinc/74/08/52/350740852.db2.gz SBESPEQINFDNEU-UHFFFAOYSA-N 2 2 266.389 0.927 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)CCCN1CCOCC1 ZINC000162302034 350740856 /nfs/dbraw/zinc/74/08/56/350740856.db2.gz SBESPEQINFDNEU-UHFFFAOYSA-N 2 2 266.389 0.927 20 0 CCADLP CC[C@H]([NH3+])C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000167965612 350817339 /nfs/dbraw/zinc/81/73/39/350817339.db2.gz JCXNAOKRQTXJCT-GJZGRUSLSA-N 2 2 291.395 0.602 20 0 CCADLP C[C@@H]([NH3+])C(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000168171525 350821652 /nfs/dbraw/zinc/82/16/52/350821652.db2.gz XARDTYNSBLORDQ-VXGBXAGGSA-N 2 2 297.424 0.927 20 0 CCADLP CC(C)NC(=O)C[NH+]1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000163663348 350770038 /nfs/dbraw/zinc/77/00/38/350770038.db2.gz WFZFPXRYKNBSSK-OAHLLOKOSA-N 2 2 296.459 0.613 20 0 CCADLP CC(C)NC(=O)C[NH+]1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000163663348 350770040 /nfs/dbraw/zinc/77/00/40/350770040.db2.gz WFZFPXRYKNBSSK-OAHLLOKOSA-N 2 2 296.459 0.613 20 0 CCADLP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)C[NH3+] ZINC000168177152 350821849 /nfs/dbraw/zinc/82/18/49/350821849.db2.gz KWYONBCKZPALRN-LLVKDONJSA-N 2 2 283.397 0.539 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000165045797 350786950 /nfs/dbraw/zinc/78/69/50/350786950.db2.gz YZUQOKIGMKBUDV-ZIAGYGMSSA-N 2 2 297.443 0.849 20 0 CCADLP C[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000168989221 350834268 /nfs/dbraw/zinc/83/42/68/350834268.db2.gz WTEMHGRHDAOFAZ-STQMWFEESA-N 2 2 291.399 0.056 20 0 CCADLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H](C)[NH3+] ZINC000168989301 350834320 /nfs/dbraw/zinc/83/43/20/350834320.db2.gz WTEMHGRHDAOFAZ-OLZOCXBDSA-N 2 2 291.399 0.056 20 0 CCADLP CC[NH+](CC)CC(=O)N(C)CC[NH+]1CCOCC1 ZINC000171418973 350907515 /nfs/dbraw/zinc/90/75/15/350907515.db2.gz JIGIIOCNCREPKH-UHFFFAOYSA-N 2 2 257.378 0.119 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000178679968 351239177 /nfs/dbraw/zinc/23/91/77/351239177.db2.gz MRTXBGDFKSTDRQ-ZDUSSCGKSA-N 2 2 291.399 0.057 20 0 CCADLP CC[C@@H](C)C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000180238437 351281804 /nfs/dbraw/zinc/28/18/04/351281804.db2.gz OUNOVZBBYDKDQP-ZIAGYGMSSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181035678 351300339 /nfs/dbraw/zinc/30/03/39/351300339.db2.gz RACUZVNJKSKARS-SOUVJXGZSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H](C[N@H+](C)CC(=O)N1CC[NH+](C)CC1)c1nccs1 ZINC000183919267 351395894 /nfs/dbraw/zinc/39/58/94/351395894.db2.gz DLFWJNIVRICBFC-LBPRGKRZSA-N 2 2 296.440 0.952 20 0 CCADLP C[C@@H](C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1)c1nccs1 ZINC000183919267 351395900 /nfs/dbraw/zinc/39/59/00/351395900.db2.gz DLFWJNIVRICBFC-LBPRGKRZSA-N 2 2 296.440 0.952 20 0 CCADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2cn3cccc(C)c3[nH+]2)C1 ZINC000187953236 351565238 /nfs/dbraw/zinc/56/52/38/351565238.db2.gz XMDASEOKBKDVPQ-QWHCGFSZSA-N 2 2 288.351 0.636 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)O1 ZINC000190513184 351725765 /nfs/dbraw/zinc/72/57/65/351725765.db2.gz ZLTUZFIXNSRSFH-CABCVRRESA-N 2 2 295.427 0.794 20 0 CCADLP C[C@@H]([NH3+])CCC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000193302640 351821062 /nfs/dbraw/zinc/82/10/62/351821062.db2.gz DDQRUJJFOYZOTH-CHWSQXEVSA-N 2 2 269.389 0.437 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000122161232 187018189 /nfs/dbraw/zinc/01/81/89/187018189.db2.gz NZJQQZVKDZTWNL-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195278692 351907066 /nfs/dbraw/zinc/90/70/66/351907066.db2.gz YLTCBIKBOYYIRH-TZMCWYRMSA-N 2 2 276.384 0.709 20 0 CCADLP C[C@H](C(N)=O)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195278692 351907069 /nfs/dbraw/zinc/90/70/69/351907069.db2.gz YLTCBIKBOYYIRH-TZMCWYRMSA-N 2 2 276.384 0.709 20 0 CCADLP C[C@H](C(N)=O)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195278692 351907071 /nfs/dbraw/zinc/90/70/71/351907071.db2.gz YLTCBIKBOYYIRH-TZMCWYRMSA-N 2 2 276.384 0.709 20 0 CCADLP C[C@H](C(N)=O)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195278692 351907074 /nfs/dbraw/zinc/90/70/74/351907074.db2.gz YLTCBIKBOYYIRH-TZMCWYRMSA-N 2 2 276.384 0.709 20 0 CCADLP C[N@H+](CC(=O)NC(=O)NC(C)(C)C)[C@H]1CCC[NH2+]CC1 ZINC000231670507 352131222 /nfs/dbraw/zinc/13/12/22/352131222.db2.gz WLKANCRBUZSAEC-NSHDSACASA-N 2 2 284.404 0.685 20 0 CCADLP C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)[C@H]1CCC[NH2+]CC1 ZINC000231670507 352131223 /nfs/dbraw/zinc/13/12/23/352131223.db2.gz WLKANCRBUZSAEC-NSHDSACASA-N 2 2 284.404 0.685 20 0 CCADLP C[C@@H](CC[NH2+]Cc1c[nH+]c(N(C)C)n1C)[S@@](C)=O ZINC000229787553 352096336 /nfs/dbraw/zinc/09/63/36/352096336.db2.gz LRVVIOVBLZZLOQ-XTZNXHDOSA-N 2 2 272.418 0.733 20 0 CCADLP C[NH+](C)C[C@@](C)(O)CNc1nc[nH+]c(N)c1Cl ZINC000234248190 352155906 /nfs/dbraw/zinc/15/59/06/352155906.db2.gz IMPOJWQLYOVBHX-JTQLQIEISA-N 2 2 259.741 0.437 20 0 CCADLP C[NH+](C)C[C@@](C)(O)CNc1[nH+]cnc(N)c1Cl ZINC000234248190 352155909 /nfs/dbraw/zinc/15/59/09/352155909.db2.gz IMPOJWQLYOVBHX-JTQLQIEISA-N 2 2 259.741 0.437 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000234845388 352174676 /nfs/dbraw/zinc/17/46/76/352174676.db2.gz WLLHLUUOLLYWCZ-RWMBFGLXSA-N 2 2 271.361 0.274 20 0 CCADLP Nc1[nH+]cnc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1Cl ZINC000236389677 352194224 /nfs/dbraw/zinc/19/42/24/352194224.db2.gz BKWFZJPKCBBFDC-RKDXNWHRSA-N 2 2 283.763 0.987 20 0 CCADLP Nc1[nH+]cnc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1Cl ZINC000236389677 352194226 /nfs/dbraw/zinc/19/42/26/352194226.db2.gz BKWFZJPKCBBFDC-RKDXNWHRSA-N 2 2 283.763 0.987 20 0 CCADLP O[C@@H]1C[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1O ZINC000236524053 352196233 /nfs/dbraw/zinc/19/62/33/352196233.db2.gz ZJZYOZUXUCTAPS-ZIAGYGMSSA-N 2 2 259.309 0.410 20 0 CCADLP C[C@H](CNC(=O)[C@]1(C)CC[NH2+]C1)Cn1cc[nH+]c1 ZINC000237476823 352266739 /nfs/dbraw/zinc/26/67/39/352266739.db2.gz KUVBFGWNRURIQU-DGCLKSJQSA-N 2 2 250.346 0.635 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1COCC[NH2+]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000237561402 352272164 /nfs/dbraw/zinc/27/21/64/352272164.db2.gz AHJJMRZOVKFEBH-FRRDWIJNSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1COCC[NH2+]1)[N@H+]1CCC[C@@H](C)C1 ZINC000237561402 352272167 /nfs/dbraw/zinc/27/21/67/352272167.db2.gz AHJJMRZOVKFEBH-FRRDWIJNSA-N 2 2 269.389 0.211 20 0 CCADLP C[NH2+]CCCC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000237189002 352250836 /nfs/dbraw/zinc/25/08/36/352250836.db2.gz OTBZFQBGEXBUSE-UHFFFAOYSA-N 2 2 273.340 0.883 20 0 CCADLP C[C@H]1CN(c2ccc(CNC(=O)C3([NH3+])CC3)c[nH+]2)CCO1 ZINC000237659951 352278247 /nfs/dbraw/zinc/27/82/47/352278247.db2.gz ATWIGTWDNCLUOC-NSHDSACASA-N 2 2 290.367 0.414 20 0 CCADLP O=C(NCCc1cn2ccccc2[nH+]1)C1CC[NH2+]CC1 ZINC000237899913 352288022 /nfs/dbraw/zinc/28/80/22/352288022.db2.gz AUCZTBNICFGVBM-UHFFFAOYSA-N 2 2 272.352 0.993 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000604171535 363179968 /nfs/dbraw/zinc/17/99/68/363179968.db2.gz RCNJTJBTSAADNI-QWHCGFSZSA-N 2 2 296.415 0.243 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000604171535 363179972 /nfs/dbraw/zinc/17/99/72/363179972.db2.gz RCNJTJBTSAADNI-QWHCGFSZSA-N 2 2 296.415 0.243 20 0 CCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CC[NH2+]CC1 ZINC000238134678 352299726 /nfs/dbraw/zinc/29/97/26/352299726.db2.gz PYAHYZGZJRPKTL-CYBMUJFWSA-N 2 2 274.368 0.776 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)[C@H]2CCCC[NH2+]2)C[C@H]1C ZINC000246167160 352351790 /nfs/dbraw/zinc/35/17/90/352351790.db2.gz AURFQADJWJWAPU-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP COCC[N@H+]1CCN(C(=O)[C@H]2CCCC[NH2+]2)C[C@H]1C ZINC000246167160 352351796 /nfs/dbraw/zinc/35/17/96/352351796.db2.gz AURFQADJWJWAPU-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)C(=O)NCC(=O)OC)C1 ZINC000245466431 352324395 /nfs/dbraw/zinc/32/43/95/352324395.db2.gz YYQLVPBEQHWKDR-CHWSQXEVSA-N 2 2 299.415 0.328 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)C(=O)NCC(=O)OC)C1 ZINC000245466431 352324401 /nfs/dbraw/zinc/32/44/01/352324401.db2.gz YYQLVPBEQHWKDR-CHWSQXEVSA-N 2 2 299.415 0.328 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000246453306 352367749 /nfs/dbraw/zinc/36/77/49/352367749.db2.gz UQRWYAFEMDCHNX-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000246453306 352367753 /nfs/dbraw/zinc/36/77/53/352367753.db2.gz UQRWYAFEMDCHNX-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246575910 352374829 /nfs/dbraw/zinc/37/48/29/352374829.db2.gz HAMLJTKXXOHOMY-KBPBESRZSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246575910 352374834 /nfs/dbraw/zinc/37/48/34/352374834.db2.gz HAMLJTKXXOHOMY-KBPBESRZSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246791613 352383572 /nfs/dbraw/zinc/38/35/72/352383572.db2.gz HUTMFVFSBQJXCJ-ILXRZTDVSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246791613 352383574 /nfs/dbraw/zinc/38/35/74/352383574.db2.gz HUTMFVFSBQJXCJ-ILXRZTDVSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246791613 352383579 /nfs/dbraw/zinc/38/35/79/352383579.db2.gz HUTMFVFSBQJXCJ-ILXRZTDVSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246791613 352383580 /nfs/dbraw/zinc/38/35/80/352383580.db2.gz HUTMFVFSBQJXCJ-ILXRZTDVSA-N 2 2 297.443 0.944 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000246285481 352359108 /nfs/dbraw/zinc/35/91/08/352359108.db2.gz AHPKYQQLVCTLAB-GJZGRUSLSA-N 3 2 296.459 0.423 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000246285481 352359111 /nfs/dbraw/zinc/35/91/11/352359111.db2.gz AHPKYQQLVCTLAB-GJZGRUSLSA-N 3 2 296.459 0.423 20 0 CCADLP C[C@@H]1CC[N@H+](CCC(=O)NC(N)=O)C[C@H]1n1cc[nH+]c1 ZINC000247684903 352423887 /nfs/dbraw/zinc/42/38/87/352423887.db2.gz SAEZOSKDKBKSID-GHMZBOCLSA-N 2 2 279.344 0.351 20 0 CCADLP C[C@@H]1CC[N@@H+](CCC(=O)NC(N)=O)C[C@H]1n1cc[nH+]c1 ZINC000247684903 352423891 /nfs/dbraw/zinc/42/38/91/352423891.db2.gz SAEZOSKDKBKSID-GHMZBOCLSA-N 2 2 279.344 0.351 20 0 CCADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOCCO ZINC000247973825 352429296 /nfs/dbraw/zinc/42/92/96/352429296.db2.gz KCFNIZDKIZMHAA-GDBMZVCRSA-N 2 2 293.411 0.891 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOCCO ZINC000247973825 352429298 /nfs/dbraw/zinc/42/92/98/352429298.db2.gz KCFNIZDKIZMHAA-GDBMZVCRSA-N 2 2 293.411 0.891 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)O1 ZINC000249084819 352476194 /nfs/dbraw/zinc/47/61/94/352476194.db2.gz NBUOUXFKEXBQDF-QLFBSQMISA-N 2 2 295.427 0.792 20 0 CCADLP O[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)CC(F)(F)F ZINC000249281755 352484376 /nfs/dbraw/zinc/48/43/76/352484376.db2.gz KZJRRIMGBQCWOC-RYUDHWBXSA-N 2 2 296.333 0.954 20 0 CCADLP CC[C@H]1C[N@H+](CC(=O)NC(=O)NC(C)(C)C)CC[C@H]1[NH3+] ZINC000251917736 352512830 /nfs/dbraw/zinc/51/28/30/352512830.db2.gz YGDCJYZYBMQBBT-WDEREUQCSA-N 2 2 284.404 0.670 20 0 CCADLP CC[C@H]1C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)CC[C@H]1[NH3+] ZINC000251917736 352512832 /nfs/dbraw/zinc/51/28/32/352512832.db2.gz YGDCJYZYBMQBBT-WDEREUQCSA-N 2 2 284.404 0.670 20 0 CCADLP COC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)CC1 ZINC000251923530 352513095 /nfs/dbraw/zinc/51/30/95/352513095.db2.gz YDPVXRRFYZCDMJ-DGCLKSJQSA-N 2 2 297.399 0.067 20 0 CCADLP COC(=O)C1CCN(C(=O)C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)CC1 ZINC000251923530 352513099 /nfs/dbraw/zinc/51/30/99/352513099.db2.gz YDPVXRRFYZCDMJ-DGCLKSJQSA-N 2 2 297.399 0.067 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252414828 352514418 /nfs/dbraw/zinc/51/44/18/352514418.db2.gz JSUQLGAEFVHIBP-VXGBXAGGSA-N 2 2 282.388 0.296 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252414828 352514420 /nfs/dbraw/zinc/51/44/20/352514420.db2.gz JSUQLGAEFVHIBP-VXGBXAGGSA-N 2 2 282.388 0.296 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000252951152 352527330 /nfs/dbraw/zinc/52/73/30/352527330.db2.gz DNKOQAPPJJIWDX-SYQHCUMBSA-N 2 2 256.390 0.894 20 0 CCADLP C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252970518 352527969 /nfs/dbraw/zinc/52/79/69/352527969.db2.gz ZQTWNRXGXHDZMQ-DJLDLDEBSA-N 2 2 267.295 0.723 20 0 CCADLP C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252970518 352527971 /nfs/dbraw/zinc/52/79/71/352527971.db2.gz ZQTWNRXGXHDZMQ-DJLDLDEBSA-N 2 2 267.295 0.723 20 0 CCADLP COc1cccc([C@@H]([NH3+])C(=O)N2CC[NH+](C)CC2)c1 ZINC000257663803 352554722 /nfs/dbraw/zinc/55/47/22/352554722.db2.gz FLIKPRXEWXBIIV-CYBMUJFWSA-N 2 2 263.341 0.469 20 0 CCADLP C[NH2+][C@H](C(=O)N1CC[NH+](CC(C)C)CC1)c1cnn(C)c1 ZINC000262388528 352586282 /nfs/dbraw/zinc/58/62/82/352586282.db2.gz NXSQFUBSCNFFFE-AWEZNQCLSA-N 2 2 293.415 0.481 20 0 CCADLP CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1CC(C)(C)[NH3+] ZINC000261965460 352568256 /nfs/dbraw/zinc/56/82/56/352568256.db2.gz PSZSYBRBQFXQHS-QWRGUYRKSA-N 2 2 258.362 0.766 20 0 CCADLP CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1CC(C)(C)[NH3+] ZINC000261965460 352568259 /nfs/dbraw/zinc/56/82/59/352568259.db2.gz PSZSYBRBQFXQHS-QWRGUYRKSA-N 2 2 258.362 0.766 20 0 CCADLP CC(C)C[C@H]1C(=O)NCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261966132 352568353 /nfs/dbraw/zinc/56/83/53/352568353.db2.gz HVEKRVXHHZMFCI-GXTWGEPZSA-N 2 2 253.390 0.833 20 0 CCADLP CC(C)C[C@H]1C(=O)NCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261966132 352568354 /nfs/dbraw/zinc/56/83/54/352568354.db2.gz HVEKRVXHHZMFCI-GXTWGEPZSA-N 2 2 253.390 0.833 20 0 CCADLP C[C@]1(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)CC[NH2+]C1 ZINC000262144668 352583408 /nfs/dbraw/zinc/58/34/08/352583408.db2.gz ZLNDFKHRKPBPNK-BZPMIXESSA-N 2 2 251.374 0.729 20 0 CCADLP C[C@]1(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@H]32)CC[NH2+]C1 ZINC000262144668 352583412 /nfs/dbraw/zinc/58/34/12/352583412.db2.gz ZLNDFKHRKPBPNK-BZPMIXESSA-N 2 2 251.374 0.729 20 0 CCADLP C[NH2+]CCC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000262312986 352585633 /nfs/dbraw/zinc/58/56/33/352585633.db2.gz DCCNLMMGKRPTNX-LBPRGKRZSA-N 2 2 292.383 0.532 20 0 CCADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)[NH+]1CCOCC1 ZINC000555227328 290967656 /nfs/dbraw/zinc/96/76/56/290967656.db2.gz ZIPWORXVZLURPO-VXGBXAGGSA-N 2 2 266.345 0.109 20 0 CCADLP OC[C@H]1CCCN1c1cc(NCC[NH+]2CCCC2)nc[nH+]1 ZINC000271627341 191247280 /nfs/dbraw/zinc/24/72/80/191247280.db2.gz XAQUMDUHXBIAKN-CYBMUJFWSA-N 2 2 291.399 0.945 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1CNc1cc(NCC2CC2)[nH+]cn1 ZINC000270320509 352921746 /nfs/dbraw/zinc/92/17/46/352921746.db2.gz WOWVWCZJHQGKQB-ZDUSSCGKSA-N 2 2 290.415 0.956 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1CNc1cc(NCC2CC2)[nH+]cn1 ZINC000270320509 352921749 /nfs/dbraw/zinc/92/17/49/352921749.db2.gz WOWVWCZJHQGKQB-ZDUSSCGKSA-N 2 2 290.415 0.956 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[N@H+](C)CCn1cc[nH+]c1C ZINC000270553840 352947881 /nfs/dbraw/zinc/94/78/81/352947881.db2.gz CDCFGFYYVDOSHE-LLVKDONJSA-N 2 2 273.402 0.947 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[N@@H+](C)CCn1cc[nH+]c1C ZINC000270553840 352947885 /nfs/dbraw/zinc/94/78/85/352947885.db2.gz CDCFGFYYVDOSHE-LLVKDONJSA-N 2 2 273.402 0.947 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCCn1cc[nH+]c1 ZINC000271092983 353021715 /nfs/dbraw/zinc/02/17/15/353021715.db2.gz IJUPNPJFMNEVKX-ZDUSSCGKSA-N 2 2 280.372 0.358 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)NCCn1cc[nH+]c1 ZINC000292309151 198238828 /nfs/dbraw/zinc/23/88/28/198238828.db2.gz LDYAQKHEVQVXHE-UHFFFAOYSA-N 2 2 275.312 0.786 20 0 CCADLP O=c1cc2c(n[nH]1)CC[N@H+](Cc1cccc3[nH+]ccn31)C2 ZINC000274913527 353172556 /nfs/dbraw/zinc/17/25/56/353172556.db2.gz KFMFEUDFSYVVPR-UHFFFAOYSA-N 2 2 281.319 0.976 20 0 CCADLP O=c1cc2c(n[nH]1)CC[N@@H+](Cc1cccc3[nH+]ccn31)C2 ZINC000274913527 353172561 /nfs/dbraw/zinc/17/25/61/353172561.db2.gz KFMFEUDFSYVVPR-UHFFFAOYSA-N 2 2 281.319 0.976 20 0 CCADLP COCC[NH+]1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000277353990 353238965 /nfs/dbraw/zinc/23/89/65/353238965.db2.gz GMPKEPGUCLTMLU-UHFFFAOYSA-N 2 2 291.399 0.845 20 0 CCADLP CC1(C)CN(C(=O)[C@H]([NH3+])c2cscn2)CC[NH2+]1 ZINC000576516542 335213352 /nfs/dbraw/zinc/21/33/52/335213352.db2.gz FRGINCIWEOFCIV-SECBINFHSA-N 2 2 254.359 0.353 20 0 CCADLP CCc1nc(N(C)C[C@H](O)C[NH+]2CCOCC2)cc(C)[nH+]1 ZINC000283427314 353507447 /nfs/dbraw/zinc/50/74/47/353507447.db2.gz BESQQJVVQNZZQU-ZDUSSCGKSA-N 2 2 294.399 0.477 20 0 CCADLP CC[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@@H+]1CCOC ZINC000283649023 353521377 /nfs/dbraw/zinc/52/13/77/353521377.db2.gz CVOIZFOAULDQHL-ISZGNANSSA-N 2 2 292.383 0.992 20 0 CCADLP CC[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@H+]1CCOC ZINC000283649023 353521379 /nfs/dbraw/zinc/52/13/79/353521379.db2.gz CVOIZFOAULDQHL-ISZGNANSSA-N 2 2 292.383 0.992 20 0 CCADLP O=c1c2ccccc2ncn1CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000604997422 363236386 /nfs/dbraw/zinc/23/63/86/363236386.db2.gz VGSXMOCLNXCULT-CHWSQXEVSA-N 2 2 284.363 0.548 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@@H](c2c[nH+]cn2C)N(C)C)[C@H](C)C1 ZINC000286558016 353596020 /nfs/dbraw/zinc/59/60/20/353596020.db2.gz AFPGQZROZLBUHO-TZMCWYRMSA-N 2 2 293.415 0.575 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@@H](c2c[nH+]cn2C)N(C)C)[C@H](C)C1 ZINC000286558016 353596025 /nfs/dbraw/zinc/59/60/25/353596025.db2.gz AFPGQZROZLBUHO-TZMCWYRMSA-N 2 2 293.415 0.575 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655460800 412581303 /nfs/dbraw/zinc/58/13/03/412581303.db2.gz CPUVWQYFBYGPSB-NMKXLXIOSA-N 2 2 276.384 0.948 20 0 CCADLP O=C1NCCN1CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000290124789 353710002 /nfs/dbraw/zinc/71/00/02/353710002.db2.gz ZBAKBDNZZJBYKB-NSHDSACASA-N 2 2 263.345 0.614 20 0 CCADLP O=C1NCCN1CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000290124789 353710006 /nfs/dbraw/zinc/71/00/06/353710006.db2.gz ZBAKBDNZZJBYKB-NSHDSACASA-N 2 2 263.345 0.614 20 0 CCADLP CO[C@H](C[NH3+])C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000290222767 353715563 /nfs/dbraw/zinc/71/55/63/353715563.db2.gz TYGVOXBBMKTVAE-TZMCWYRMSA-N 2 2 292.383 0.261 20 0 CCADLP [NH3+]CC[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C(F)F ZINC000655464850 412582722 /nfs/dbraw/zinc/58/27/22/412582722.db2.gz AFROCQNKGNLWNM-DTWKUNHWSA-N 2 2 272.299 0.544 20 0 CCADLP C[NH+](C)CCn1nccc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000294269380 353883924 /nfs/dbraw/zinc/88/39/24/353883924.db2.gz ZAMIPCSHSLXRNO-ONEGZZNKSA-N 2 2 274.328 0.820 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[NH+](CC3CC3)CC2)nc[nH+]1 ZINC000294544489 353889813 /nfs/dbraw/zinc/88/98/13/353889813.db2.gz WCCUGIMUQOBAHX-LBPRGKRZSA-N 2 2 291.399 0.801 20 0 CCADLP Cc1cc(NC(=O)[C@@H]2C[N@H+](C)CCO2)cn2cc[nH+]c12 ZINC000293886888 353848445 /nfs/dbraw/zinc/84/84/45/353848445.db2.gz LJZBELNSXNHTNC-LBPRGKRZSA-N 2 2 274.324 0.912 20 0 CCADLP Cc1cc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)cn2cc[nH+]c12 ZINC000293886888 353848448 /nfs/dbraw/zinc/84/84/48/353848448.db2.gz LJZBELNSXNHTNC-LBPRGKRZSA-N 2 2 274.324 0.912 20 0 CCADLP O=C(CC[NH2+]C1CC1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000655470307 412585208 /nfs/dbraw/zinc/58/52/08/412585208.db2.gz ULTORGPBKVUOHC-CYBMUJFWSA-N 2 2 274.368 0.919 20 0 CCADLP Cc1cnc(N2CC[NH+](C)CC2)nc1N1CC[NH+](C)CC1 ZINC000298154120 353962636 /nfs/dbraw/zinc/96/26/36/353962636.db2.gz YCNYCHLPPVCLHO-UHFFFAOYSA-N 2 2 290.415 0.289 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[N@@H+]3CCC[C@@H]3C2)nc[nH+]1 ZINC000298176299 353962650 /nfs/dbraw/zinc/96/26/50/353962650.db2.gz GGABCZZDXJTOMG-NWDGAFQWSA-N 2 2 277.372 0.554 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[N@H+]3CCC[C@@H]3C2)nc[nH+]1 ZINC000298176299 353962652 /nfs/dbraw/zinc/96/26/52/353962652.db2.gz GGABCZZDXJTOMG-NWDGAFQWSA-N 2 2 277.372 0.554 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000299640043 354035521 /nfs/dbraw/zinc/03/55/21/354035521.db2.gz QCGJWTWKJOMRGU-GFCCVEGCSA-N 2 2 277.372 0.761 20 0 CCADLP Cc1[nH+]ccn1C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000305350747 354144073 /nfs/dbraw/zinc/14/40/73/354144073.db2.gz WEQCHWALZXROBX-LOWVWBTDSA-N 2 2 253.346 0.662 20 0 CCADLP Cc1[nH+]ccn1C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000305350747 354144077 /nfs/dbraw/zinc/14/40/77/354144077.db2.gz WEQCHWALZXROBX-LOWVWBTDSA-N 2 2 253.346 0.662 20 0 CCADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cccc(CO)c1 ZINC000305656323 354150069 /nfs/dbraw/zinc/15/00/69/354150069.db2.gz PSFJQNPJWQYXCJ-BXUZGUMPSA-N 2 2 252.358 0.752 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCSC[C@@H]1C ZINC000310564248 354190350 /nfs/dbraw/zinc/19/03/50/354190350.db2.gz WVMCRZOFTRXREJ-NWDGAFQWSA-N 2 2 262.419 0.363 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCSC[C@@H]1C ZINC000310564248 354190352 /nfs/dbraw/zinc/19/03/52/354190352.db2.gz WVMCRZOFTRXREJ-NWDGAFQWSA-N 2 2 262.419 0.363 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCSC[C@@H]1C ZINC000310564248 354190355 /nfs/dbraw/zinc/19/03/55/354190355.db2.gz WVMCRZOFTRXREJ-NWDGAFQWSA-N 2 2 262.419 0.363 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCSC[C@@H]1C ZINC000310564248 354190357 /nfs/dbraw/zinc/19/03/57/354190357.db2.gz WVMCRZOFTRXREJ-NWDGAFQWSA-N 2 2 262.419 0.363 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CC(C)(C)OCCO)C[N@@H+]1C1CC1 ZINC000311215412 354197841 /nfs/dbraw/zinc/19/78/41/354197841.db2.gz RLOXQDSIDQICKN-RYUDHWBXSA-N 2 2 256.390 0.989 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CC(C)(C)OCCO)C[N@H+]1C1CC1 ZINC000311215412 354197843 /nfs/dbraw/zinc/19/78/43/354197843.db2.gz RLOXQDSIDQICKN-RYUDHWBXSA-N 2 2 256.390 0.989 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000311171269 354197966 /nfs/dbraw/zinc/19/79/66/354197966.db2.gz SVNPUFLGAPSBQW-CQSZACIVSA-N 3 2 257.422 0.573 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000311171269 354197969 /nfs/dbraw/zinc/19/79/69/354197969.db2.gz SVNPUFLGAPSBQW-CQSZACIVSA-N 3 2 257.422 0.573 20 0 CCADLP CC[C@H]1C[N@H+](C[C@@H](O)C[NH+](C)CCOC)CCCO1 ZINC000311647175 354202353 /nfs/dbraw/zinc/20/23/53/354202353.db2.gz CJGCENIADURYEZ-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP CC[C@H]1C[N@@H+](C[C@@H](O)C[NH+](C)CCOC)CCCO1 ZINC000311647175 354202357 /nfs/dbraw/zinc/20/23/57/354202357.db2.gz CJGCENIADURYEZ-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP CC[C@H]1C[NH+](C[C@@H](O)C[N@H+](C)CCOC)CCCO1 ZINC000311647175 354202361 /nfs/dbraw/zinc/20/23/61/354202361.db2.gz CJGCENIADURYEZ-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP CC[C@H]1C[NH+](C[C@@H](O)C[N@@H+](C)CCOC)CCCO1 ZINC000311647175 354202365 /nfs/dbraw/zinc/20/23/65/354202365.db2.gz CJGCENIADURYEZ-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP COC(=O)C1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000311652390 354202652 /nfs/dbraw/zinc/20/26/52/354202652.db2.gz DGNVZQMMULJZQF-CYBMUJFWSA-N 2 2 272.389 0.573 20 0 CCADLP COC(=O)C1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000311652390 354202653 /nfs/dbraw/zinc/20/26/53/354202653.db2.gz DGNVZQMMULJZQF-CYBMUJFWSA-N 2 2 272.389 0.573 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCO[C@@H](Cn2cncn2)C1 ZINC000328636033 354243162 /nfs/dbraw/zinc/24/31/62/354243162.db2.gz CHFIFXRZZITCBX-CYBMUJFWSA-N 2 2 276.344 0.184 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCO[C@@H](Cn2cncn2)C1 ZINC000328636033 354243164 /nfs/dbraw/zinc/24/31/64/354243164.db2.gz CHFIFXRZZITCBX-CYBMUJFWSA-N 2 2 276.344 0.184 20 0 CCADLP C[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)C[C@@H](CO)O1 ZINC000314454942 354222491 /nfs/dbraw/zinc/22/24/91/354222491.db2.gz YJHKGCOTBXXKNU-YPMHNXCESA-N 2 2 253.346 0.434 20 0 CCADLP C[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)C[C@@H](CO)O1 ZINC000314454942 354222495 /nfs/dbraw/zinc/22/24/95/354222495.db2.gz YJHKGCOTBXXKNU-YPMHNXCESA-N 2 2 253.346 0.434 20 0 CCADLP CCN1CCN(C(=O)C[NH+](CC)CC)C[C@H]1c1[nH]cc[nH+]1 ZINC000328621896 354240155 /nfs/dbraw/zinc/24/01/55/354240155.db2.gz IAZJRSHWACVVQG-ZDUSSCGKSA-N 2 2 293.415 0.957 20 0 CCADLP CNS(=O)(=O)CCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330365059 354326734 /nfs/dbraw/zinc/32/67/34/354326734.db2.gz DMXVGNWSQPXRFD-UHFFFAOYSA-N 2 2 286.401 0.528 20 0 CCADLP CS(=O)(=O)NC[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000330366056 354329129 /nfs/dbraw/zinc/32/91/29/354329129.db2.gz WADFHHBQCJISHL-LBPRGKRZSA-N 2 2 286.401 0.144 20 0 CCADLP CS(=O)(=O)NC[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000330366056 354329134 /nfs/dbraw/zinc/32/91/34/354329134.db2.gz WADFHHBQCJISHL-LBPRGKRZSA-N 2 2 286.401 0.144 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)NC(C)(C)C[NH+]2CCCC2)C1 ZINC000333772152 283023926 /nfs/dbraw/zinc/02/39/26/283023926.db2.gz RWLPRQVNTQVCHW-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)NC(C)(C)C[NH+]2CCCC2)C1 ZINC000333772152 283023928 /nfs/dbraw/zinc/02/39/28/283023928.db2.gz RWLPRQVNTQVCHW-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@H](C)[NH+]1CC(C)C1)[NH+]1CCOCC1 ZINC000557481452 291034192 /nfs/dbraw/zinc/03/41/92/291034192.db2.gz MHQVXSCZZUDROE-LSDHHAIUSA-N 2 2 297.443 0.800 20 0 CCADLP CC[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[N@@H+]1CCOC ZINC000331358151 354549770 /nfs/dbraw/zinc/54/97/70/354549770.db2.gz UUCCNQFDAWXVJD-AWEZNQCLSA-N 2 2 294.399 0.761 20 0 CCADLP CC[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[N@H+]1CCOC ZINC000331358151 354549771 /nfs/dbraw/zinc/54/97/71/354549771.db2.gz UUCCNQFDAWXVJD-AWEZNQCLSA-N 2 2 294.399 0.761 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000333660449 354772300 /nfs/dbraw/zinc/77/23/00/354772300.db2.gz LMLSANQWDHVHFY-AWEZNQCLSA-N 2 2 289.383 0.271 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000333675039 354774242 /nfs/dbraw/zinc/77/42/42/354774242.db2.gz YVPQQICXIISSTI-OCCSQVGLSA-N 2 2 284.404 0.006 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000333675039 354774246 /nfs/dbraw/zinc/77/42/46/354774246.db2.gz YVPQQICXIISSTI-OCCSQVGLSA-N 2 2 284.404 0.006 20 0 CCADLP C[C@H]1[NH2+]CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)[C@H]1C ZINC000333708683 354780609 /nfs/dbraw/zinc/78/06/09/354780609.db2.gz FDNKJEFGQJXUSJ-OLZOCXBDSA-N 2 2 296.415 0.243 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000333712358 354781365 /nfs/dbraw/zinc/78/13/65/354781365.db2.gz FONYCYVWEZQZBM-MCIONIFRSA-N 2 2 296.415 0.243 20 0 CCADLP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000333816426 354799619 /nfs/dbraw/zinc/79/96/19/354799619.db2.gz GRWVRWUANPPIST-XGUBFFRZSA-N 2 2 297.443 0.929 20 0 CCADLP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000333816426 354799621 /nfs/dbraw/zinc/79/96/21/354799621.db2.gz GRWVRWUANPPIST-XGUBFFRZSA-N 2 2 297.443 0.929 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000333863341 354806922 /nfs/dbraw/zinc/80/69/22/354806922.db2.gz ZVMOALXHDVTNLY-RDBSUJKOSA-N 2 2 298.431 0.394 20 0 CCADLP CCC[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC000608008199 363390155 /nfs/dbraw/zinc/39/01/55/363390155.db2.gz SZPRUJHLBNRLPG-UHFFFAOYSA-N 2 2 250.346 0.874 20 0 CCADLP CC[C@@H]1C[N@@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CCO1 ZINC000608017759 363393420 /nfs/dbraw/zinc/39/34/20/363393420.db2.gz SPCKWABHWWLOKJ-OLZOCXBDSA-N 2 2 297.399 0.176 20 0 CCADLP CC[C@@H]1C[N@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CCO1 ZINC000608017759 363393427 /nfs/dbraw/zinc/39/34/27/363393427.db2.gz SPCKWABHWWLOKJ-OLZOCXBDSA-N 2 2 297.399 0.176 20 0 CCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000334364321 354859177 /nfs/dbraw/zinc/85/91/77/354859177.db2.gz GHICKYSKELSUEF-JSGCOSHPSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000334364321 354859179 /nfs/dbraw/zinc/85/91/79/354859179.db2.gz GHICKYSKELSUEF-JSGCOSHPSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@@H](C(=O)N(C)C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000334364321 354859182 /nfs/dbraw/zinc/85/91/82/354859182.db2.gz GHICKYSKELSUEF-JSGCOSHPSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@@H](C(=O)N(C)C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000334364321 354859185 /nfs/dbraw/zinc/85/91/85/354859185.db2.gz GHICKYSKELSUEF-JSGCOSHPSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@@H](CCC[NH3+])NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000423679348 235034418 /nfs/dbraw/zinc/03/44/18/235034418.db2.gz KCQDVIAMVFAIFI-GXTWGEPZSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H](CCC[NH3+])NC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000423679348 235034423 /nfs/dbraw/zinc/03/44/23/235034423.db2.gz KCQDVIAMVFAIFI-GXTWGEPZSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@H](C(=O)N1CC[NH+]2CCC1CC2)[NH+]1CCSCC1 ZINC000335774175 355009163 /nfs/dbraw/zinc/00/91/63/355009163.db2.gz SJJOCIIXGAFUGN-GFCCVEGCSA-N 2 2 283.441 0.730 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000423767841 235069245 /nfs/dbraw/zinc/06/92/45/235069245.db2.gz XJUXHRWBOVAEIF-XQQFMLRXSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000423767841 235069247 /nfs/dbraw/zinc/06/92/47/235069247.db2.gz XJUXHRWBOVAEIF-XQQFMLRXSA-N 2 2 269.389 0.306 20 0 CCADLP CN(C)S(=O)(=O)CC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000336787108 355159671 /nfs/dbraw/zinc/15/96/71/355159671.db2.gz KKHUBBCULOUQSZ-GFCCVEGCSA-N 2 2 277.434 0.151 20 0 CCADLP CN(C)S(=O)(=O)CC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000336787108 355159672 /nfs/dbraw/zinc/15/96/72/355159672.db2.gz KKHUBBCULOUQSZ-GFCCVEGCSA-N 2 2 277.434 0.151 20 0 CCADLP CN(C)S(=O)(=O)CC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000336787108 355159673 /nfs/dbraw/zinc/15/96/73/355159673.db2.gz KKHUBBCULOUQSZ-GFCCVEGCSA-N 2 2 277.434 0.151 20 0 CCADLP CN(C)S(=O)(=O)CC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000336787108 355159674 /nfs/dbraw/zinc/15/96/74/355159674.db2.gz KKHUBBCULOUQSZ-GFCCVEGCSA-N 2 2 277.434 0.151 20 0 CCADLP C[C@H]([NH3+])C[N@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000336706234 355143338 /nfs/dbraw/zinc/14/33/38/355143338.db2.gz IIVBVUIFDNLJRS-GXTWGEPZSA-N 2 2 252.358 0.843 20 0 CCADLP C[C@H]([NH3+])C[N@@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000336706234 355143340 /nfs/dbraw/zinc/14/33/40/355143340.db2.gz IIVBVUIFDNLJRS-GXTWGEPZSA-N 2 2 252.358 0.843 20 0 CCADLP C([C@@H]1CCOC1)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000336709686 355144597 /nfs/dbraw/zinc/14/45/97/355144597.db2.gz MIGLMKFOXXVKTM-KGLIPLIRSA-N 2 2 254.374 0.677 20 0 CCADLP C([C@@H]1CCOC1)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000336709686 355144600 /nfs/dbraw/zinc/14/46/00/355144600.db2.gz MIGLMKFOXXVKTM-KGLIPLIRSA-N 2 2 254.374 0.677 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@]12CCOC2)C1CC1 ZINC000336796067 355169150 /nfs/dbraw/zinc/16/91/50/355169150.db2.gz PDWSEPUVAQOATL-KGLIPLIRSA-N 2 2 254.374 0.696 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@]12CCOC2)C1CC1 ZINC000336796067 355169152 /nfs/dbraw/zinc/16/91/52/355169152.db2.gz PDWSEPUVAQOATL-KGLIPLIRSA-N 2 2 254.374 0.696 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@]12CCOC2)C1CC1 ZINC000336796067 355169155 /nfs/dbraw/zinc/16/91/55/355169155.db2.gz PDWSEPUVAQOATL-KGLIPLIRSA-N 2 2 254.374 0.696 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@]12CCOC2)C1CC1 ZINC000336796067 355169158 /nfs/dbraw/zinc/16/91/58/355169158.db2.gz PDWSEPUVAQOATL-KGLIPLIRSA-N 2 2 254.374 0.696 20 0 CCADLP C(C[NH+]1CCOCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000336798203 355170160 /nfs/dbraw/zinc/17/01/60/355170160.db2.gz DBZGNMZCDSMWAU-HNNXBMFYSA-N 2 2 267.417 0.879 20 0 CCADLP CC[N@H+](C)C[C@H]1CC[NH+](CCN2CCCS2(=O)=O)C1 ZINC000336798876 355171390 /nfs/dbraw/zinc/17/13/90/355171390.db2.gz GQZXGJCZMUHPKT-CYBMUJFWSA-N 2 2 289.445 0.296 20 0 CCADLP CC[N@@H+](C)C[C@H]1CC[NH+](CCN2CCCS2(=O)=O)C1 ZINC000336798876 355171392 /nfs/dbraw/zinc/17/13/92/355171392.db2.gz GQZXGJCZMUHPKT-CYBMUJFWSA-N 2 2 289.445 0.296 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000336798876 355171395 /nfs/dbraw/zinc/17/13/95/355171395.db2.gz GQZXGJCZMUHPKT-CYBMUJFWSA-N 2 2 289.445 0.296 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC000336798876 355171397 /nfs/dbraw/zinc/17/13/97/355171397.db2.gz GQZXGJCZMUHPKT-CYBMUJFWSA-N 2 2 289.445 0.296 20 0 CCADLP CC[N@@H+](Cc1cnn(C)c1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336818895 355192140 /nfs/dbraw/zinc/19/21/40/355192140.db2.gz XIKYPAHBNHAVAG-AWEZNQCLSA-N 2 2 266.389 0.697 20 0 CCADLP CC[N@H+](Cc1cnn(C)c1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336818895 355192141 /nfs/dbraw/zinc/19/21/41/355192141.db2.gz XIKYPAHBNHAVAG-AWEZNQCLSA-N 2 2 266.389 0.697 20 0 CCADLP CC[NH+](Cc1cnn(C)c1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336818895 355192143 /nfs/dbraw/zinc/19/21/43/355192143.db2.gz XIKYPAHBNHAVAG-AWEZNQCLSA-N 2 2 266.389 0.697 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cn(C)nn1 ZINC000336828468 355203508 /nfs/dbraw/zinc/20/35/08/355203508.db2.gz WRWFZDPICMHGAG-UHFFFAOYSA-N 2 2 280.420 0.273 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cn(C)nn1 ZINC000336828468 355203513 /nfs/dbraw/zinc/20/35/13/355203513.db2.gz WRWFZDPICMHGAG-UHFFFAOYSA-N 2 2 280.420 0.273 20 0 CCADLP C[C@H]1C[N@@H+](C2CCN(CC[NH+]3CCOCC3)CC2)CCO1 ZINC000336832828 355205874 /nfs/dbraw/zinc/20/58/74/355205874.db2.gz BKDDWCJTUZVTEQ-HNNXBMFYSA-N 2 2 297.443 0.504 20 0 CCADLP C[C@H]1C[N@H+](C2CCN(CC[NH+]3CCOCC3)CC2)CCO1 ZINC000336832828 355205878 /nfs/dbraw/zinc/20/58/78/355205878.db2.gz BKDDWCJTUZVTEQ-HNNXBMFYSA-N 2 2 297.443 0.504 20 0 CCADLP Cn1cc([C@@H]2C[N@H+](CC3CC[NH2+]CC3)C[C@H]2[NH3+])cn1 ZINC000424287022 235193647 /nfs/dbraw/zinc/19/36/47/235193647.db2.gz IDZUOULDCXSHHH-UONOGXRCSA-N 3 2 263.389 0.146 20 0 CCADLP Cn1cc([C@@H]2C[N@@H+](CC3CC[NH2+]CC3)C[C@H]2[NH3+])cn1 ZINC000424287022 235193650 /nfs/dbraw/zinc/19/36/50/235193650.db2.gz IDZUOULDCXSHHH-UONOGXRCSA-N 3 2 263.389 0.146 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338372812 355334785 /nfs/dbraw/zinc/33/47/85/355334785.db2.gz PWHDCDUMGOKHKO-MCIONIFRSA-N 2 2 254.374 0.960 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338372812 355334788 /nfs/dbraw/zinc/33/47/88/355334788.db2.gz PWHDCDUMGOKHKO-MCIONIFRSA-N 2 2 254.374 0.960 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338372812 355334789 /nfs/dbraw/zinc/33/47/89/355334789.db2.gz PWHDCDUMGOKHKO-MCIONIFRSA-N 2 2 254.374 0.960 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338372812 355334792 /nfs/dbraw/zinc/33/47/92/355334792.db2.gz PWHDCDUMGOKHKO-MCIONIFRSA-N 2 2 254.374 0.960 20 0 CCADLP CCC[NH+]1CCN(c2nc(C)[nH+]c(N(C)C)n2)CC1 ZINC000337933974 355308723 /nfs/dbraw/zinc/30/87/23/355308723.db2.gz BOBUCQRSVXEIMT-UHFFFAOYSA-N 2 2 264.377 0.778 20 0 CCADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCN(C2CC2)C1 ZINC000338311577 355318574 /nfs/dbraw/zinc/31/85/74/355318574.db2.gz FNUJRFQWFHWTSF-OAHLLOKOSA-N 2 2 294.443 0.319 20 0 CCADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCN(C2CC2)C1 ZINC000338311577 355318576 /nfs/dbraw/zinc/31/85/76/355318576.db2.gz FNUJRFQWFHWTSF-OAHLLOKOSA-N 2 2 294.443 0.319 20 0 CCADLP CN(CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000338311577 355318578 /nfs/dbraw/zinc/31/85/78/355318578.db2.gz FNUJRFQWFHWTSF-OAHLLOKOSA-N 2 2 294.443 0.319 20 0 CCADLP CN(CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000338311577 355318581 /nfs/dbraw/zinc/31/85/81/355318581.db2.gz FNUJRFQWFHWTSF-OAHLLOKOSA-N 2 2 294.443 0.319 20 0 CCADLP CC[C@H](C)[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)OC ZINC000338373294 355334463 /nfs/dbraw/zinc/33/44/63/355334463.db2.gz QSCVOGMNGZWWFQ-ZDUSSCGKSA-N 2 2 299.415 0.424 20 0 CCADLP CC[C@H](C)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)OC ZINC000338373294 355334465 /nfs/dbraw/zinc/33/44/65/355334465.db2.gz QSCVOGMNGZWWFQ-ZDUSSCGKSA-N 2 2 299.415 0.424 20 0 CCADLP O=C(Cc1cn2ccccc2[nH+]1)NCCn1cc[nH+]c1 ZINC000338873904 355442731 /nfs/dbraw/zinc/44/27/31/355442731.db2.gz XGPIGPIVOHXJRL-UHFFFAOYSA-N 2 2 269.308 0.890 20 0 CCADLP [NH3+]C[C@H](NC(=O)[C@@H]([NH3+])c1c(F)cccc1F)C(F)(F)F ZINC000655519212 412610583 /nfs/dbraw/zinc/61/05/83/412610583.db2.gz PXSMYSNBALBHDK-CBAPKCEASA-N 2 2 297.227 0.970 20 0 CCADLP CON1CCC([NH2+]Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000425374930 235290799 /nfs/dbraw/zinc/29/07/99/235290799.db2.gz YGZGVNVYQKANNT-UHFFFAOYSA-N 2 2 267.377 0.602 20 0 CCADLP Cc1ccc2nc(C[NH2+]C[C@]3(O)CC[N@@H+](C)C3)cn2c1 ZINC000341295393 355647309 /nfs/dbraw/zinc/64/73/09/355647309.db2.gz XGSXQCMLUKUPTQ-OAHLLOKOSA-N 2 2 274.368 0.799 20 0 CCADLP Cc1ccc2nc(C[NH2+]C[C@]3(O)CC[N@H+](C)C3)cn2c1 ZINC000341295393 355647310 /nfs/dbraw/zinc/64/73/10/355647310.db2.gz XGSXQCMLUKUPTQ-OAHLLOKOSA-N 2 2 274.368 0.799 20 0 CCADLP Cc1ccc2[nH+]c(CNC[C@]3(O)CC[N@@H+](C)C3)cn2c1 ZINC000341295393 355647312 /nfs/dbraw/zinc/64/73/12/355647312.db2.gz XGSXQCMLUKUPTQ-OAHLLOKOSA-N 2 2 274.368 0.799 20 0 CCADLP Cc1ccc2[nH+]c(CNC[C@]3(O)CC[N@H+](C)C3)cn2c1 ZINC000341295393 355647315 /nfs/dbraw/zinc/64/73/15/355647315.db2.gz XGSXQCMLUKUPTQ-OAHLLOKOSA-N 2 2 274.368 0.799 20 0 CCADLP CC[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)[C@@H]1CCCCO1 ZINC000655525849 412613119 /nfs/dbraw/zinc/61/31/19/412613119.db2.gz UUBXIXOJUYGFPS-AGIUHOORSA-N 2 2 271.405 0.729 20 0 CCADLP COCCC[NH+]1CCC([NH2+][C@H](C)CS(C)(=O)=O)CC1 ZINC000341706050 355719254 /nfs/dbraw/zinc/71/92/54/355719254.db2.gz GCWDPOOARLZXDA-GFCCVEGCSA-N 2 2 292.445 0.510 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000341710641 355719437 /nfs/dbraw/zinc/71/94/37/355719437.db2.gz NMIPHUYNOSLOHN-OLZOCXBDSA-N 2 2 291.461 0.035 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000341710639 355719640 /nfs/dbraw/zinc/71/96/40/355719640.db2.gz NMIPHUYNOSLOHN-CHWSQXEVSA-N 2 2 291.461 0.035 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@H]1C)[NH+]1CCOCC1 ZINC000341713092 355720399 /nfs/dbraw/zinc/72/03/99/355720399.db2.gz YYYXXTKXXZEBGI-AGIUHOORSA-N 2 2 269.389 0.021 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)[NH+]1CCOCC1 ZINC000341713092 355720402 /nfs/dbraw/zinc/72/04/02/355720402.db2.gz YYYXXTKXXZEBGI-AGIUHOORSA-N 2 2 269.389 0.021 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000342755412 355737875 /nfs/dbraw/zinc/73/78/75/355737875.db2.gz QVZOKFBTSNMWSI-NSHDSACASA-N 2 2 286.326 0.943 20 0 CCADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@@H]2CCC[NH2+]C2)no1 ZINC000342758426 355738857 /nfs/dbraw/zinc/73/88/57/355738857.db2.gz TXWXNAZNFOYRRH-SNVBAGLBSA-N 2 2 295.387 0.482 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCC[NH2+][C@H]1C)[NH+]1CCOCC1 ZINC000342766521 355741651 /nfs/dbraw/zinc/74/16/51/355741651.db2.gz VRCJQYMBRXZSFZ-AGIUHOORSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000427288103 235358462 /nfs/dbraw/zinc/35/84/62/235358462.db2.gz NWWHARHVZCHMEB-KGLIPLIRSA-N 2 2 283.416 0.603 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000427288103 235358465 /nfs/dbraw/zinc/35/84/65/235358465.db2.gz NWWHARHVZCHMEB-KGLIPLIRSA-N 2 2 283.416 0.603 20 0 CCADLP O=C(C[C@@H]1CC[NH2+]C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000427323342 235359070 /nfs/dbraw/zinc/35/90/70/235359070.db2.gz WRGJNGRSVCFAFB-KBPBESRZSA-N 2 2 281.400 0.309 20 0 CCADLP Cc1c[nH+]c(CN2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)n1C ZINC000342842152 355756842 /nfs/dbraw/zinc/75/68/42/355756842.db2.gz CHDWWUDQXLJCKH-QWHCGFSZSA-N 2 2 266.389 0.615 20 0 CCADLP Cc1c[nH+]c(CN2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)n1C ZINC000342842152 355756843 /nfs/dbraw/zinc/75/68/43/355756843.db2.gz CHDWWUDQXLJCKH-QWHCGFSZSA-N 2 2 266.389 0.615 20 0 CCADLP C[C@H](C[NH2+][C@H]1C[N@H+](C)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000344267946 355789896 /nfs/dbraw/zinc/78/98/96/355789896.db2.gz YLKDEEXVFYKTMR-MCIONIFRSA-N 3 2 254.422 0.162 20 0 CCADLP C[C@H](C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000344267946 355789902 /nfs/dbraw/zinc/78/99/02/355789902.db2.gz YLKDEEXVFYKTMR-MCIONIFRSA-N 3 2 254.422 0.162 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000344220768 355790150 /nfs/dbraw/zinc/79/01/50/355790150.db2.gz WPHMCVYOSABNHQ-MJBXVCDLSA-N 3 2 254.422 0.162 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000344220768 355790154 /nfs/dbraw/zinc/79/01/54/355790154.db2.gz WPHMCVYOSABNHQ-MJBXVCDLSA-N 3 2 254.422 0.162 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000348338237 355915128 /nfs/dbraw/zinc/91/51/28/355915128.db2.gz VDXYSLNNDHUEJJ-JQWIXIFHSA-N 2 2 263.341 0.904 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000348338237 355915131 /nfs/dbraw/zinc/91/51/31/355915131.db2.gz VDXYSLNNDHUEJJ-JQWIXIFHSA-N 2 2 263.341 0.904 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H]1C(=O)NC1CC1)C1CC1 ZINC000351490394 356001534 /nfs/dbraw/zinc/00/15/34/356001534.db2.gz LEZDKJQZRYFNTB-UONOGXRCSA-N 2 2 281.400 0.185 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H]1C(=O)NC1CC1)C1CC1 ZINC000351490394 356001539 /nfs/dbraw/zinc/00/15/39/356001539.db2.gz LEZDKJQZRYFNTB-UONOGXRCSA-N 2 2 281.400 0.185 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1)C1CC1 ZINC000351490394 356001542 /nfs/dbraw/zinc/00/15/42/356001542.db2.gz LEZDKJQZRYFNTB-UONOGXRCSA-N 2 2 281.400 0.185 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H]1C(=O)NC1CC1)C1CC1 ZINC000351490394 356001546 /nfs/dbraw/zinc/00/15/46/356001546.db2.gz LEZDKJQZRYFNTB-UONOGXRCSA-N 2 2 281.400 0.185 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@H](F)C3)C2)CC1 ZINC000655552298 412618115 /nfs/dbraw/zinc/61/81/15/412618115.db2.gz STXHYXXULDHLSK-STQMWFEESA-N 2 2 298.406 0.908 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@H](F)C3)C2)CC1 ZINC000655552298 412618119 /nfs/dbraw/zinc/61/81/19/412618119.db2.gz STXHYXXULDHLSK-STQMWFEESA-N 2 2 298.406 0.908 20 0 CCADLP C[C@@H](C(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C)[NH+]1CCSCC1 ZINC000352015949 356008757 /nfs/dbraw/zinc/00/87/57/356008757.db2.gz UCOLEEWEIVGULT-UPJWGTAASA-N 2 2 285.457 0.975 20 0 CCADLP C[C@@H](C(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C)[NH+]1CCSCC1 ZINC000352015949 356008762 /nfs/dbraw/zinc/00/87/62/356008762.db2.gz UCOLEEWEIVGULT-UPJWGTAASA-N 2 2 285.457 0.975 20 0 CCADLP Cc1cnn(C)c1C[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000352748754 356069659 /nfs/dbraw/zinc/06/96/59/356069659.db2.gz JRCOJZLKIGIQBQ-ZDUSSCGKSA-N 2 2 266.389 0.929 20 0 CCADLP COCC[NH+]1CCC([NH2+]Cc2c(C)cnn2C)CC1 ZINC000352812799 356087641 /nfs/dbraw/zinc/08/76/41/356087641.db2.gz IHGGPEPOPYWALI-UHFFFAOYSA-N 2 2 266.389 0.929 20 0 CCADLP COc1cc2c(cc1C[NH2+]C[C@](C)(O)C[NH+](C)C)OCO2 ZINC000353175618 356170175 /nfs/dbraw/zinc/17/01/75/356170175.db2.gz XASBDTARWYVBFJ-HNNXBMFYSA-N 2 2 296.367 0.826 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C[N@@H+]1C1CC1 ZINC000360818880 138012006 /nfs/dbraw/zinc/01/20/06/138012006.db2.gz PBCCSRRJEKJBOL-YWVKMMECSA-N 2 2 273.327 0.725 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C[N@H+]1C1CC1 ZINC000360818880 138012007 /nfs/dbraw/zinc/01/20/07/138012007.db2.gz PBCCSRRJEKJBOL-YWVKMMECSA-N 2 2 273.327 0.725 20 0 CCADLP C[C@H]1CN(C(=O)C2CC[NH2+]CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000353701442 356275674 /nfs/dbraw/zinc/27/56/74/356275674.db2.gz MMILKXVLXPPQSL-JSGCOSHPSA-N 2 2 281.400 0.165 20 0 CCADLP Cn1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c(C(F)F)n1 ZINC000360966618 138017437 /nfs/dbraw/zinc/01/74/37/138017437.db2.gz QGPJKZPEXXBDQM-LLVKDONJSA-N 2 2 288.342 0.904 20 0 CCADLP CC[C@@H](CO)[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000361120608 138022381 /nfs/dbraw/zinc/02/23/81/138022381.db2.gz BYCVUYCFHZWANX-LBPRGKRZSA-N 2 2 272.389 0.765 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)n(C)c1C ZINC000361136301 138023103 /nfs/dbraw/zinc/02/31/03/138023103.db2.gz NKEZBKLJFHHXGQ-HNNXBMFYSA-N 2 2 295.383 0.276 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)n(C)c1C ZINC000361136301 138023104 /nfs/dbraw/zinc/02/31/04/138023104.db2.gz NKEZBKLJFHHXGQ-HNNXBMFYSA-N 2 2 295.383 0.276 20 0 CCADLP CO[C@H](C)[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000361219244 138025780 /nfs/dbraw/zinc/02/57/80/138025780.db2.gz BZZCPTPFTSURHE-IJLUTSLNSA-N 2 2 257.378 0.339 20 0 CCADLP CO[C@H](C)[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000361219244 138025781 /nfs/dbraw/zinc/02/57/81/138025781.db2.gz BZZCPTPFTSURHE-IJLUTSLNSA-N 2 2 257.378 0.339 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000354203554 356365290 /nfs/dbraw/zinc/36/52/90/356365290.db2.gz CBOYDVKHRNTKAN-QWHCGFSZSA-N 2 2 291.399 0.123 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000354203554 356365295 /nfs/dbraw/zinc/36/52/95/356365295.db2.gz CBOYDVKHRNTKAN-QWHCGFSZSA-N 2 2 291.399 0.123 20 0 CCADLP Cc1cc(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc[nH+]1 ZINC000362618567 138066645 /nfs/dbraw/zinc/06/66/45/138066645.db2.gz YTDVPOPGDDTVGO-KGLIPLIRSA-N 2 2 290.367 0.797 20 0 CCADLP Cc1cc(NC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc[nH+]1 ZINC000362618567 138066646 /nfs/dbraw/zinc/06/66/46/138066646.db2.gz YTDVPOPGDDTVGO-KGLIPLIRSA-N 2 2 290.367 0.797 20 0 CCADLP CN(C)c1[nH+]cc(CNc2ccc(CO)c[nH+]2)n1C ZINC000362287005 138054269 /nfs/dbraw/zinc/05/42/69/138054269.db2.gz SNZGZTWIHZZILS-UHFFFAOYSA-N 2 2 261.329 0.986 20 0 CCADLP C[C@H]1CCN(Cc2nnnn2C)C[C@H]1n1cc[nH+]c1 ZINC000362399946 138056845 /nfs/dbraw/zinc/05/68/45/138056845.db2.gz CUGWXUSALAYKNX-WDEREUQCSA-N 2 2 261.333 0.490 20 0 CCADLP C[C@H]1CC[N@H+](Cc2nnnn2C)C[C@H]1n1cc[nH+]c1 ZINC000362399946 138056846 /nfs/dbraw/zinc/05/68/46/138056846.db2.gz CUGWXUSALAYKNX-WDEREUQCSA-N 2 2 261.333 0.490 20 0 CCADLP C[C@H]1CC[N@@H+](Cc2nnnn2C)C[C@H]1n1cc[nH+]c1 ZINC000362399946 138056847 /nfs/dbraw/zinc/05/68/47/138056847.db2.gz CUGWXUSALAYKNX-WDEREUQCSA-N 2 2 261.333 0.490 20 0 CCADLP C[C@@H]1CCN(Cc2nnnn2C)C[C@@H]1n1cc[nH+]c1 ZINC000362399944 138057199 /nfs/dbraw/zinc/05/71/99/138057199.db2.gz CUGWXUSALAYKNX-MNOVXSKESA-N 2 2 261.333 0.490 20 0 CCADLP C[C@@H]1CC[N@H+](Cc2nnnn2C)C[C@@H]1n1cc[nH+]c1 ZINC000362399944 138057200 /nfs/dbraw/zinc/05/72/00/138057200.db2.gz CUGWXUSALAYKNX-MNOVXSKESA-N 2 2 261.333 0.490 20 0 CCADLP C[C@@H]1CC[N@@H+](Cc2nnnn2C)C[C@@H]1n1cc[nH+]c1 ZINC000362399944 138057201 /nfs/dbraw/zinc/05/72/01/138057201.db2.gz CUGWXUSALAYKNX-MNOVXSKESA-N 2 2 261.333 0.490 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000362794477 138074565 /nfs/dbraw/zinc/07/45/65/138074565.db2.gz MTPAEZSYAOEIGI-NSHDSACASA-N 2 2 288.355 0.471 20 0 CCADLP O=C(NCc1[nH]cc[nH+]1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000362800442 138074699 /nfs/dbraw/zinc/07/46/99/138074699.db2.gz GATYFKYYCOVAKS-SNVBAGLBSA-N 2 2 274.328 0.461 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000362794476 138074744 /nfs/dbraw/zinc/07/47/44/138074744.db2.gz MTPAEZSYAOEIGI-LLVKDONJSA-N 2 2 288.355 0.471 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000362964961 138082783 /nfs/dbraw/zinc/08/27/83/138082783.db2.gz YKHVYFCKSXYHJR-AGIUHOORSA-N 2 2 276.384 0.934 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000362964961 138082784 /nfs/dbraw/zinc/08/27/84/138082784.db2.gz YKHVYFCKSXYHJR-AGIUHOORSA-N 2 2 276.384 0.934 20 0 CCADLP CCOC1CC(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000354514891 356429465 /nfs/dbraw/zinc/42/94/65/356429465.db2.gz RIMQTPKKLPPISQ-UHFFFAOYSA-N 2 2 297.443 0.944 20 0 CCADLP Cc1ccc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)nc1 ZINC000362686781 138069903 /nfs/dbraw/zinc/06/99/03/138069903.db2.gz VPECNGHBQVIKLX-OAHLLOKOSA-N 2 2 288.395 0.786 20 0 CCADLP Cc1ccc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)nc1 ZINC000362686781 138069904 /nfs/dbraw/zinc/06/99/04/138069904.db2.gz VPECNGHBQVIKLX-OAHLLOKOSA-N 2 2 288.395 0.786 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000362696226 138070494 /nfs/dbraw/zinc/07/04/94/138070494.db2.gz BTAJHUFYMBPQLE-AWEZNQCLSA-N 2 2 289.379 0.788 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000362696226 138070495 /nfs/dbraw/zinc/07/04/95/138070495.db2.gz BTAJHUFYMBPQLE-AWEZNQCLSA-N 2 2 289.379 0.788 20 0 CCADLP COc1cc[nH+]cc1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354717329 356482010 /nfs/dbraw/zinc/48/20/10/356482010.db2.gz VQVZTCQFMSXAAZ-SNVBAGLBSA-N 2 2 292.339 0.287 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCOC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354945704 356533842 /nfs/dbraw/zinc/53/38/42/356533842.db2.gz BZWWSZBHYSUFRM-ZIAGYGMSSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCOC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354945704 356533849 /nfs/dbraw/zinc/53/38/49/356533849.db2.gz BZWWSZBHYSUFRM-ZIAGYGMSSA-N 2 2 295.427 0.650 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157468 363475848 /nfs/dbraw/zinc/47/58/48/363475848.db2.gz SGLYCYRHDNGCDE-GHMZBOCLSA-N 2 2 279.344 0.364 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157468 363475851 /nfs/dbraw/zinc/47/58/51/363475851.db2.gz SGLYCYRHDNGCDE-GHMZBOCLSA-N 2 2 279.344 0.364 20 0 CCADLP Cn1nncc1C[N@@H+]1CCO[C@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000355213162 356610056 /nfs/dbraw/zinc/61/00/56/356610056.db2.gz PTSYVDQWRSJDPL-BNOWGMLFSA-N 2 2 279.388 0.499 20 0 CCADLP Cn1nncc1C[N@H+]1CCO[C@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000355213162 356610062 /nfs/dbraw/zinc/61/00/62/356610062.db2.gz PTSYVDQWRSJDPL-BNOWGMLFSA-N 2 2 279.388 0.499 20 0 CCADLP CC[C@@H](C(=O)NCC[N@@H+]1CCO[C@H](C)C1)[NH+](C)C ZINC000532473605 358511707 /nfs/dbraw/zinc/51/17/07/358511707.db2.gz XYUZDWIRNPHGOP-NEPJUHHUSA-N 2 2 257.378 0.164 20 0 CCADLP CC[C@@H](C(=O)NCC[N@H+]1CCO[C@H](C)C1)[NH+](C)C ZINC000532473605 358511709 /nfs/dbraw/zinc/51/17/09/358511709.db2.gz XYUZDWIRNPHGOP-NEPJUHHUSA-N 2 2 257.378 0.164 20 0 CCADLP C[C@H](CNC(=O)NCC[N@@H+]1CCOC[C@H]1C)[NH+](C)C1CC1 ZINC000356334993 356748130 /nfs/dbraw/zinc/74/81/30/356748130.db2.gz NBZIWRNVXHEUBF-CHWSQXEVSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](CNC(=O)NCC[N@H+]1CCOC[C@H]1C)[NH+](C)C1CC1 ZINC000356334993 356748131 /nfs/dbraw/zinc/74/81/31/356748131.db2.gz NBZIWRNVXHEUBF-CHWSQXEVSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](CNC(=O)NCC[NH+]1CCOC[C@H]1C)[N@H+](C)C1CC1 ZINC000356334993 356748132 /nfs/dbraw/zinc/74/81/32/356748132.db2.gz NBZIWRNVXHEUBF-CHWSQXEVSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](CNC(=O)NCC[NH+]1CCOC[C@H]1C)[N@@H+](C)C1CC1 ZINC000356334993 356748133 /nfs/dbraw/zinc/74/81/33/356748133.db2.gz NBZIWRNVXHEUBF-CHWSQXEVSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000356354377 356751551 /nfs/dbraw/zinc/75/15/51/356751551.db2.gz LCDIIPRDHGCGFU-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000356354377 356751555 /nfs/dbraw/zinc/75/15/55/356751555.db2.gz LCDIIPRDHGCGFU-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP Cc1ccsc1CNC(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359288165 356794082 /nfs/dbraw/zinc/79/40/82/356794082.db2.gz OUMJOPSSZLXPSM-VXGBXAGGSA-N 2 2 279.409 0.824 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000359362850 356808546 /nfs/dbraw/zinc/80/85/46/356808546.db2.gz QZLPELBVERVOCU-LLVKDONJSA-N 2 2 296.371 0.187 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000359362850 356808550 /nfs/dbraw/zinc/80/85/50/356808550.db2.gz QZLPELBVERVOCU-LLVKDONJSA-N 2 2 296.371 0.187 20 0 CCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)C1 ZINC000359451121 356823856 /nfs/dbraw/zinc/82/38/56/356823856.db2.gz XLQCIQQBLFLOFD-LSDHHAIUSA-N 2 2 296.459 0.423 20 0 CCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)C1 ZINC000359451121 356823859 /nfs/dbraw/zinc/82/38/59/356823859.db2.gz XLQCIQQBLFLOFD-LSDHHAIUSA-N 2 2 296.459 0.423 20 0 CCADLP C[NH+](CC1(C[N@@H+](C)[C@H]2CCOC2)COC1)[C@@H]1CCOC1 ZINC000360028778 356937270 /nfs/dbraw/zinc/93/72/70/356937270.db2.gz XKABEYXCVZVHNM-OKILXGFUSA-N 2 2 284.400 0.444 20 0 CCADLP C[NH+](CC1(C[N@H+](C)[C@H]2CCOC2)COC1)[C@@H]1CCOC1 ZINC000360028778 356937271 /nfs/dbraw/zinc/93/72/71/356937271.db2.gz XKABEYXCVZVHNM-OKILXGFUSA-N 2 2 284.400 0.444 20 0 CCADLP C[NH+](CC1(C[N@H+](C)[C@@H]2CCOC2)COC1)[C@H]1CCOC1 ZINC000360028778 356937273 /nfs/dbraw/zinc/93/72/73/356937273.db2.gz XKABEYXCVZVHNM-OKILXGFUSA-N 2 2 284.400 0.444 20 0 CCADLP C[NH+](CC1(C[N@@H+](C)[C@@H]2CCOC2)COC1)[C@H]1CCOC1 ZINC000360028778 356937274 /nfs/dbraw/zinc/93/72/74/356937274.db2.gz XKABEYXCVZVHNM-OKILXGFUSA-N 2 2 284.400 0.444 20 0 CCADLP C[C@H](CN1CCOCC1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655690509 412646236 /nfs/dbraw/zinc/64/62/36/412646236.db2.gz BSQJBHQEKSBYEV-ZBFHGGJFSA-N 2 2 297.443 0.550 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360533668 357036372 /nfs/dbraw/zinc/03/63/72/357036372.db2.gz AZVLCSXKGRTRLG-HZMBPMFUSA-N 2 2 280.372 0.049 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360533668 357036375 /nfs/dbraw/zinc/03/63/75/357036375.db2.gz AZVLCSXKGRTRLG-HZMBPMFUSA-N 2 2 280.372 0.049 20 0 CCADLP C[N@H+]1CC=C(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000364283730 357104833 /nfs/dbraw/zinc/10/48/33/357104833.db2.gz QKOFQFHTFDTNCL-CYBMUJFWSA-N 2 2 274.368 0.824 20 0 CCADLP C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000364283730 357104835 /nfs/dbraw/zinc/10/48/35/357104835.db2.gz QKOFQFHTFDTNCL-CYBMUJFWSA-N 2 2 274.368 0.824 20 0 CCADLP CC(C)CCC[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000363863695 357067035 /nfs/dbraw/zinc/06/70/35/357067035.db2.gz JXGQKSMPTMQQNA-OAHLLOKOSA-N 2 2 297.443 0.945 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1 ZINC000655709682 412649831 /nfs/dbraw/zinc/64/98/31/412649831.db2.gz FZZUCRXQHKBDQD-BFHYXJOUSA-N 2 2 298.431 0.441 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1 ZINC000655709682 412649834 /nfs/dbraw/zinc/64/98/34/412649834.db2.gz FZZUCRXQHKBDQD-BFHYXJOUSA-N 2 2 298.431 0.441 20 0 CCADLP CC[C@@H]1C[NH+](C)CCN1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000655709682 412649837 /nfs/dbraw/zinc/64/98/37/412649837.db2.gz FZZUCRXQHKBDQD-BFHYXJOUSA-N 2 2 298.431 0.441 20 0 CCADLP CC[C@@H]1C[NH+](C)CCN1C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000655709682 412649841 /nfs/dbraw/zinc/64/98/41/412649841.db2.gz FZZUCRXQHKBDQD-BFHYXJOUSA-N 2 2 298.431 0.441 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000655709683 412650409 /nfs/dbraw/zinc/65/04/09/412650409.db2.gz FZZUCRXQHKBDQD-MCIONIFRSA-N 2 2 298.431 0.441 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000655709683 412650411 /nfs/dbraw/zinc/65/04/11/412650411.db2.gz FZZUCRXQHKBDQD-MCIONIFRSA-N 2 2 298.431 0.441 20 0 CCADLP CC[C@@H]1C[NH+](C)CCN1C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000655709683 412650414 /nfs/dbraw/zinc/65/04/14/412650414.db2.gz FZZUCRXQHKBDQD-MCIONIFRSA-N 2 2 298.431 0.441 20 0 CCADLP CC[C@@H]1C[NH+](C)CCN1C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000655709683 412650415 /nfs/dbraw/zinc/65/04/15/412650415.db2.gz FZZUCRXQHKBDQD-MCIONIFRSA-N 2 2 298.431 0.441 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCC(=O)NC(N)=O)C1 ZINC000365625792 357162079 /nfs/dbraw/zinc/16/20/79/357162079.db2.gz ICCXZSBPIWPKRC-SNVBAGLBSA-N 2 2 279.344 0.185 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000365625792 357162087 /nfs/dbraw/zinc/16/20/87/357162087.db2.gz ICCXZSBPIWPKRC-SNVBAGLBSA-N 2 2 279.344 0.185 20 0 CCADLP C[NH+](C)CCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000366191991 357191461 /nfs/dbraw/zinc/19/14/61/357191461.db2.gz VJVDJGRHXVLDQC-JTQLQIEISA-N 2 2 250.346 0.898 20 0 CCADLP C[NH+](C)CCCNC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000366191991 357191463 /nfs/dbraw/zinc/19/14/63/357191463.db2.gz VJVDJGRHXVLDQC-JTQLQIEISA-N 2 2 250.346 0.898 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCOC[C@H](C3CCC3)C2)CC1 ZINC000366441267 357207901 /nfs/dbraw/zinc/20/79/01/357207901.db2.gz FBRIHNCUEXCMRQ-OAHLLOKOSA-N 2 2 295.427 0.509 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCOC[C@H](C3CCC3)C2)CC1 ZINC000366441267 357207909 /nfs/dbraw/zinc/20/79/09/357207909.db2.gz FBRIHNCUEXCMRQ-OAHLLOKOSA-N 2 2 295.427 0.509 20 0 CCADLP COC(=O)[C@]12C[N@H+](CCn3cc[nH+]c3)C[C@H]1COCC2 ZINC000366452629 357210071 /nfs/dbraw/zinc/21/00/71/357210071.db2.gz BDDNRVHYCCFHPG-GXTWGEPZSA-N 2 2 279.340 0.395 20 0 CCADLP COC(=O)[C@]12C[N@@H+](CCn3cc[nH+]c3)C[C@H]1COCC2 ZINC000366452629 357210074 /nfs/dbraw/zinc/21/00/74/357210074.db2.gz BDDNRVHYCCFHPG-GXTWGEPZSA-N 2 2 279.340 0.395 20 0 CCADLP CNS(=O)(=O)[C@@H]1CC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000366655957 357231876 /nfs/dbraw/zinc/23/18/76/357231876.db2.gz PAWALTXKQRKDIU-CHWSQXEVSA-N 2 2 289.445 0.484 20 0 CCADLP CNS(=O)(=O)[C@@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000366655957 357231880 /nfs/dbraw/zinc/23/18/80/357231880.db2.gz PAWALTXKQRKDIU-CHWSQXEVSA-N 2 2 289.445 0.484 20 0 CCADLP CNS(=O)(=O)[C@@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000366655957 357231885 /nfs/dbraw/zinc/23/18/85/357231885.db2.gz PAWALTXKQRKDIU-CHWSQXEVSA-N 2 2 289.445 0.484 20 0 CCADLP CNS(=O)(=O)[C@@H]1CC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000366655957 357231888 /nfs/dbraw/zinc/23/18/88/357231888.db2.gz PAWALTXKQRKDIU-CHWSQXEVSA-N 2 2 289.445 0.484 20 0 CCADLP CC[N@@H+]1CC[C@H](CNC(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000367770648 357277394 /nfs/dbraw/zinc/27/73/94/357277394.db2.gz RUAGTIHUOWSKGO-CQSZACIVSA-N 2 2 295.427 0.699 20 0 CCADLP CC[N@H+]1CC[C@H](CNC(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000367770648 357277398 /nfs/dbraw/zinc/27/73/98/357277398.db2.gz RUAGTIHUOWSKGO-CQSZACIVSA-N 2 2 295.427 0.699 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCCO3)C2)CC1 ZINC000372092844 357374381 /nfs/dbraw/zinc/37/43/81/357374381.db2.gz YLHYCEPGBGAHTH-HIFRSBDPSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCCO3)C2)CC1 ZINC000372092844 357374382 /nfs/dbraw/zinc/37/43/82/357374382.db2.gz YLHYCEPGBGAHTH-HIFRSBDPSA-N 2 2 295.427 0.840 20 0 CCADLP CCNC(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000374419909 357398350 /nfs/dbraw/zinc/39/83/50/357398350.db2.gz JKVIJIRIECBGGM-RWMBFGLXSA-N 2 2 269.389 0.306 20 0 CCADLP CCNC(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000374419909 357398353 /nfs/dbraw/zinc/39/83/53/357398353.db2.gz JKVIJIRIECBGGM-RWMBFGLXSA-N 2 2 269.389 0.306 20 0 CCADLP CC[C@@](C)(CO)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655747648 412653843 /nfs/dbraw/zinc/65/38/43/412653843.db2.gz IMYQFQLLNNZXAR-KBPBESRZSA-N 2 2 256.390 0.990 20 0 CCADLP CCN1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1=O ZINC000655765464 412655724 /nfs/dbraw/zinc/65/57/24/412655724.db2.gz GEQNLFJNYOXDHA-KGLIPLIRSA-N 2 2 281.400 0.450 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3(O)CCC3)CC2)CC1 ZINC000377309435 357563821 /nfs/dbraw/zinc/56/38/21/357563821.db2.gz RCYPAWVWWZXLIS-UHFFFAOYSA-N 2 2 295.427 0.576 20 0 CCADLP CC1(C)[C@H](O)C[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655756751 412656366 /nfs/dbraw/zinc/65/63/66/412656366.db2.gz XGKYLJHIXNBDMV-MGPQQGTHSA-N 2 2 268.401 0.989 20 0 CCADLP COCC[NH+]1CCC([NH2+]C[C@@H]2CCCCN2CCO)CC1 ZINC000449395759 236033310 /nfs/dbraw/zinc/03/33/10/236033310.db2.gz QQUKOXDWUNFSGS-INIZCTEOSA-N 2 2 299.459 0.534 20 0 CCADLP COCC(COC)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655771721 412658864 /nfs/dbraw/zinc/65/88/64/412658864.db2.gz CSUWCCOJJHPFEB-OAHLLOKOSA-N 2 2 286.416 0.881 20 0 CCADLP CCOC(=O)C1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000380617246 357704331 /nfs/dbraw/zinc/70/43/31/357704331.db2.gz IKSIIVIULAWZSC-AWEZNQCLSA-N 2 2 286.416 0.963 20 0 CCADLP CCOC(=O)C1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000380617246 357704337 /nfs/dbraw/zinc/70/43/37/357704337.db2.gz IKSIIVIULAWZSC-AWEZNQCLSA-N 2 2 286.416 0.963 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCNC(=O)CC2)C[N@@H+]1C1CC1 ZINC000396689866 357764329 /nfs/dbraw/zinc/76/43/29/357764329.db2.gz SPLSJQHNVFOLPK-WOPDTQHZSA-N 2 2 251.374 0.870 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCNC(=O)CC2)C[N@H+]1C1CC1 ZINC000396689866 357764333 /nfs/dbraw/zinc/76/43/33/357764333.db2.gz SPLSJQHNVFOLPK-WOPDTQHZSA-N 2 2 251.374 0.870 20 0 CCADLP CN(C(=O)CO)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000450353277 236083146 /nfs/dbraw/zinc/08/31/46/236083146.db2.gz FBHJRTSHMQBVGJ-LSDHHAIUSA-N 2 2 297.443 0.774 20 0 CCADLP CN(C(=O)CO)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000450353277 236083148 /nfs/dbraw/zinc/08/31/48/236083148.db2.gz FBHJRTSHMQBVGJ-LSDHHAIUSA-N 2 2 297.443 0.774 20 0 CCADLP CC(C)[NH+]1CCC([N@H+](C)CCNS(C)(=O)=O)CC1 ZINC000407947879 357829012 /nfs/dbraw/zinc/82/90/12/357829012.db2.gz CQQFTLGJNJCFRG-UHFFFAOYSA-N 2 2 277.434 0.340 20 0 CCADLP CC(C)[NH+]1CCC([N@@H+](C)CCNS(C)(=O)=O)CC1 ZINC000407947879 357829015 /nfs/dbraw/zinc/82/90/15/357829015.db2.gz CQQFTLGJNJCFRG-UHFFFAOYSA-N 2 2 277.434 0.340 20 0 CCADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2C)[C@@H]1C ZINC000354332773 291121597 /nfs/dbraw/zinc/12/15/97/291121597.db2.gz VYQNOTXLOGCEED-BARDWOONSA-N 2 2 297.443 0.800 20 0 CCADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)[C@@H]1C ZINC000354332773 291121599 /nfs/dbraw/zinc/12/15/99/291121599.db2.gz VYQNOTXLOGCEED-BARDWOONSA-N 2 2 297.443 0.800 20 0 CCADLP C[C@H](C[NH3+])CNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000417011524 358129861 /nfs/dbraw/zinc/12/98/61/358129861.db2.gz SFZGEUWCUMJEHX-SNVBAGLBSA-N 2 2 265.361 0.542 20 0 CCADLP C[C@H](C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)CS(C)(=O)=O ZINC000420375527 358180253 /nfs/dbraw/zinc/18/02/53/358180253.db2.gz TWYVDSFKFMKLNV-WISYIIOYSA-N 2 2 262.419 0.643 20 0 CCADLP C[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])C[NH+]1CCOCC1 ZINC000422773621 358192673 /nfs/dbraw/zinc/19/26/73/358192673.db2.gz YZZCPRSVGZBCCK-MCIONIFRSA-N 3 2 255.406 0.672 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCc2c(nnn2C)C1 ZINC000655830771 412667913 /nfs/dbraw/zinc/66/79/13/412667913.db2.gz WYQUQYRBDCCGBK-JTNHKYCSSA-N 2 2 275.400 0.745 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCc2c(nnn2C)C1 ZINC000655830771 412667917 /nfs/dbraw/zinc/66/79/17/412667917.db2.gz WYQUQYRBDCCGBK-JTNHKYCSSA-N 2 2 275.400 0.745 20 0 CCADLP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000294747258 199164704 /nfs/dbraw/zinc/16/47/04/199164704.db2.gz KJGLFUAVJUGDPL-CYBMUJFWSA-N 2 2 288.395 0.866 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CC(C)(C)[C@@H]2COC[C@@H]21)C1CC1 ZINC000452121093 358265291 /nfs/dbraw/zinc/26/52/91/358265291.db2.gz SDLKMUOAUMLIDO-MCIONIFRSA-N 2 2 268.401 0.798 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CC(C)(C)[C@@H]2COC[C@@H]21)C1CC1 ZINC000452121093 358265295 /nfs/dbraw/zinc/26/52/95/358265295.db2.gz SDLKMUOAUMLIDO-MCIONIFRSA-N 2 2 268.401 0.798 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CC(C)(C)[C@@H]2COC[C@@H]21)C1CC1 ZINC000452121093 358265296 /nfs/dbraw/zinc/26/52/96/358265296.db2.gz SDLKMUOAUMLIDO-MCIONIFRSA-N 2 2 268.401 0.798 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CC(C)(C)[C@@H]2COC[C@@H]21)C1CC1 ZINC000452121093 358265302 /nfs/dbraw/zinc/26/53/02/358265302.db2.gz SDLKMUOAUMLIDO-MCIONIFRSA-N 2 2 268.401 0.798 20 0 CCADLP C[C@@H](C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000479471511 358284463 /nfs/dbraw/zinc/28/44/63/358284463.db2.gz FEXZRFCSDYKSTP-KBPBESRZSA-N 2 2 297.443 0.896 20 0 CCADLP CCn1nncc1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000530211557 358379641 /nfs/dbraw/zinc/37/96/41/358379641.db2.gz OMSMLMDNLHIEBY-STQMWFEESA-N 2 2 265.361 0.155 20 0 CCADLP COCCc1noc(CC2CC[NH+](C[C@@H](C)[NH3+])CC2)n1 ZINC000530229874 358383166 /nfs/dbraw/zinc/38/31/66/358383166.db2.gz BAPPGMHWJVCOIW-LLVKDONJSA-N 2 2 282.388 0.860 20 0 CCADLP COC[C@@H](O)C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000567685788 358572533 /nfs/dbraw/zinc/57/25/33/358572533.db2.gz MHJLCAKBMBGVLQ-ZDUSSCGKSA-N 2 2 261.325 0.969 20 0 CCADLP C[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)S(C)(=O)=O ZINC000567725864 358577887 /nfs/dbraw/zinc/57/78/87/358577887.db2.gz MKJBWZMJRPXQOD-QWRGUYRKSA-N 2 2 260.403 0.493 20 0 CCADLP C[C@@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)S(C)(=O)=O ZINC000567725864 358577888 /nfs/dbraw/zinc/57/78/88/358577888.db2.gz MKJBWZMJRPXQOD-QWRGUYRKSA-N 2 2 260.403 0.493 20 0 CCADLP C[C@@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)CS(C)(=O)=O ZINC000567889358 358607114 /nfs/dbraw/zinc/60/71/14/358607114.db2.gz PGIJYFWQJZOSDE-STQMWFEESA-N 2 2 274.430 0.743 20 0 CCADLP C[C@@H](C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)CS(C)(=O)=O ZINC000567889358 358607117 /nfs/dbraw/zinc/60/71/17/358607117.db2.gz PGIJYFWQJZOSDE-STQMWFEESA-N 2 2 274.430 0.743 20 0 CCADLP CCO[C@@H]1C[C@H]1[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000562487737 291155284 /nfs/dbraw/zinc/15/52/84/291155284.db2.gz ILFCYOOPFLLCHS-HZPDHXFCSA-N 2 2 297.443 0.550 20 0 CCADLP CCO[C@@H]1C[C@H]1[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000562487737 291155286 /nfs/dbraw/zinc/15/52/86/291155286.db2.gz ILFCYOOPFLLCHS-HZPDHXFCSA-N 2 2 297.443 0.550 20 0 CCADLP Cc1[nH]c(CN[C@H]2CCC[N@H+](CCCO)C2)[nH+]c1C ZINC000568273435 358661187 /nfs/dbraw/zinc/66/11/87/358661187.db2.gz RJLUUIWFLDNZCW-ZDUSSCGKSA-N 2 2 266.389 0.963 20 0 CCADLP Cc1[nH]c(CN[C@H]2CCC[N@@H+](CCCO)C2)[nH+]c1C ZINC000568273435 358661188 /nfs/dbraw/zinc/66/11/88/358661188.db2.gz RJLUUIWFLDNZCW-ZDUSSCGKSA-N 2 2 266.389 0.963 20 0 CCADLP [NH3+]C[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000568509561 358679929 /nfs/dbraw/zinc/67/99/29/358679929.db2.gz UBNBMDWYKMDYTF-NSHDSACASA-N 2 2 286.339 0.616 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[C@]3(C2)CCC[NH2+]C3)CCO1 ZINC000568749240 358701699 /nfs/dbraw/zinc/70/16/99/358701699.db2.gz GXGUTRWJBXTQPB-HUUCEWRRSA-N 2 2 267.417 0.783 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[C@]3(C2)CCC[NH2+]C3)CCO1 ZINC000568749240 358701701 /nfs/dbraw/zinc/70/17/01/358701701.db2.gz GXGUTRWJBXTQPB-HUUCEWRRSA-N 2 2 267.417 0.783 20 0 CCADLP CC(C)C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000568814738 358707110 /nfs/dbraw/zinc/70/71/10/358707110.db2.gz MAYOBXZZVALPMI-AWEZNQCLSA-N 2 2 294.399 0.746 20 0 CCADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CC[NH2+]C(C)C)C1 ZINC000568864156 358711195 /nfs/dbraw/zinc/71/11/95/358711195.db2.gz ZRJKZMIFOAGFLV-ZDUSSCGKSA-N 2 2 299.415 0.376 20 0 CCADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CC[NH2+]C(C)C)C1 ZINC000568864156 358711197 /nfs/dbraw/zinc/71/11/97/358711197.db2.gz ZRJKZMIFOAGFLV-ZDUSSCGKSA-N 2 2 299.415 0.376 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000569137198 358738795 /nfs/dbraw/zinc/73/87/95/358738795.db2.gz FDOPVLVLVRVKEM-NWDGAFQWSA-N 2 2 253.390 0.879 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000569137198 358738798 /nfs/dbraw/zinc/73/87/98/358738798.db2.gz FDOPVLVLVRVKEM-NWDGAFQWSA-N 2 2 253.390 0.879 20 0 CCADLP Cc1nn(C(C)C)cc1CN1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000570451257 358859496 /nfs/dbraw/zinc/85/94/96/358859496.db2.gz JULKQFWVUVZKSA-CQSZACIVSA-N 2 2 265.405 0.847 20 0 CCADLP Cc1nn(C(C)C)cc1CN1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000570451257 358859498 /nfs/dbraw/zinc/85/94/98/358859498.db2.gz JULKQFWVUVZKSA-CQSZACIVSA-N 2 2 265.405 0.847 20 0 CCADLP C[NH+](C)CCCCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000570497983 358863019 /nfs/dbraw/zinc/86/30/19/358863019.db2.gz YBOCTSXVERBBJW-UHFFFAOYSA-N 3 2 298.475 0.861 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000570512025 358865214 /nfs/dbraw/zinc/86/52/14/358865214.db2.gz FGPNLHVFIUCFMW-ZDUSSCGKSA-N 2 2 293.415 0.452 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000570517764 358866141 /nfs/dbraw/zinc/86/61/41/358866141.db2.gz MTJGQXUQHBGYQP-NEPJUHHUSA-N 2 2 257.378 0.197 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000570517764 358866143 /nfs/dbraw/zinc/86/61/43/358866143.db2.gz MTJGQXUQHBGYQP-NEPJUHHUSA-N 2 2 257.378 0.197 20 0 CCADLP CCCN(C(=O)[C@H](C)[NH+]1CCN(C)CC1)[C@H]1CC[NH2+]C1 ZINC000571165468 358917157 /nfs/dbraw/zinc/91/71/57/358917157.db2.gz CHCGKQCMIPXSOB-KBPBESRZSA-N 2 2 282.432 0.223 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)N[C@@H]2CC[NH+](CC)C2)CCO1 ZINC000562728210 291165491 /nfs/dbraw/zinc/16/54/91/291165491.db2.gz GNEIWGOZMKCMHB-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)N[C@@H]2CC[NH+](CC)C2)CCO1 ZINC000562728210 291165493 /nfs/dbraw/zinc/16/54/93/291165493.db2.gz GNEIWGOZMKCMHB-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H]1C[NH+](CCNC(=O)N[C@@H]2CC[N@H+](CC)C2)CCO1 ZINC000562728210 291165495 /nfs/dbraw/zinc/16/54/95/291165495.db2.gz GNEIWGOZMKCMHB-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H]1C[NH+](CCNC(=O)N[C@@H]2CC[N@@H+](CC)C2)CCO1 ZINC000562728210 291165497 /nfs/dbraw/zinc/16/54/97/291165497.db2.gz GNEIWGOZMKCMHB-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@H]2CCCOCC2)C[C@H](C)O1 ZINC000573477019 358970512 /nfs/dbraw/zinc/97/05/12/358970512.db2.gz BUAMOXZJAACNFX-LJISPDSOSA-N 2 2 286.416 0.615 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@H]2CCCOCC2)C[C@H](C)O1 ZINC000573477019 358970516 /nfs/dbraw/zinc/97/05/16/358970516.db2.gz BUAMOXZJAACNFX-LJISPDSOSA-N 2 2 286.416 0.615 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC2CCC3(CC3)CC2)[C@H](C[NH3+])C1 ZINC000572825471 358929666 /nfs/dbraw/zinc/92/96/66/358929666.db2.gz KHWHJAZNXUMBOW-CYBMUJFWSA-N 2 2 280.416 0.994 20 0 CCADLP C[N@H+]1CCN(C(=O)NC2CCC3(CC3)CC2)[C@H](C[NH3+])C1 ZINC000572825471 358929670 /nfs/dbraw/zinc/92/96/70/358929670.db2.gz KHWHJAZNXUMBOW-CYBMUJFWSA-N 2 2 280.416 0.994 20 0 CCADLP Cc1ccc(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000573204814 358947846 /nfs/dbraw/zinc/94/78/46/358947846.db2.gz NICPOMAXVGQQQG-ZDUSSCGKSA-N 2 2 262.357 0.034 20 0 CCADLP Cc1ccc(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000573204814 358947849 /nfs/dbraw/zinc/94/78/49/358947849.db2.gz NICPOMAXVGQQQG-ZDUSSCGKSA-N 2 2 262.357 0.034 20 0 CCADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cn[nH]n3)CC2)CC1 ZINC000574029909 359020844 /nfs/dbraw/zinc/02/08/44/359020844.db2.gz RRIIFBJZTPEXDF-UHFFFAOYSA-N 2 2 292.431 0.797 20 0 CCADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cn[nH]n3)CC2)CC1 ZINC000574029909 359020849 /nfs/dbraw/zinc/02/08/49/359020849.db2.gz RRIIFBJZTPEXDF-UHFFFAOYSA-N 2 2 292.431 0.797 20 0 CCADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3c[nH]nn3)CC2)CC1 ZINC000574029909 359020852 /nfs/dbraw/zinc/02/08/52/359020852.db2.gz RRIIFBJZTPEXDF-UHFFFAOYSA-N 2 2 292.431 0.797 20 0 CCADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3c[nH]nn3)CC2)CC1 ZINC000574029909 359020854 /nfs/dbraw/zinc/02/08/54/359020854.db2.gz RRIIFBJZTPEXDF-UHFFFAOYSA-N 2 2 292.431 0.797 20 0 CCADLP COCC1(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CC[NH2+]CC1 ZINC000574049398 359023804 /nfs/dbraw/zinc/02/38/04/359023804.db2.gz DDJRLTGGDLZKIR-CYBMUJFWSA-N 2 2 294.399 0.967 20 0 CCADLP C[C@H](Cc1ccsc1)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000562803281 291168190 /nfs/dbraw/zinc/16/81/90/291168190.db2.gz QMSCMZGGOVSCGS-YPMHNXCESA-N 2 2 296.440 0.963 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000580763484 359090490 /nfs/dbraw/zinc/09/04/90/359090490.db2.gz IZXDKKQJFCPTKQ-FRRDWIJNSA-N 2 2 284.404 0.004 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000580763484 359090494 /nfs/dbraw/zinc/09/04/94/359090494.db2.gz IZXDKKQJFCPTKQ-FRRDWIJNSA-N 2 2 284.404 0.004 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000580953693 359113876 /nfs/dbraw/zinc/11/38/76/359113876.db2.gz BRPBZFBDJFXNPU-LBPRGKRZSA-N 2 2 271.405 0.588 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000580953693 359113881 /nfs/dbraw/zinc/11/38/81/359113881.db2.gz BRPBZFBDJFXNPU-LBPRGKRZSA-N 2 2 271.405 0.588 20 0 CCADLP CC[C@]1(CO)CCC[N@@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000582309173 359134090 /nfs/dbraw/zinc/13/40/90/359134090.db2.gz QMAJBGARVNQIDI-ZIAGYGMSSA-N 2 2 274.405 0.162 20 0 CCADLP CC[C@]1(CO)CCC[N@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000582309173 359134093 /nfs/dbraw/zinc/13/40/93/359134093.db2.gz QMAJBGARVNQIDI-ZIAGYGMSSA-N 2 2 274.405 0.162 20 0 CCADLP CC[C@]1(CO)CCC[NH+]1C[C@H](O)C[N@H+](C)CCOC ZINC000582309173 359134097 /nfs/dbraw/zinc/13/40/97/359134097.db2.gz QMAJBGARVNQIDI-ZIAGYGMSSA-N 2 2 274.405 0.162 20 0 CCADLP CC[C@]1(CO)CCC[NH+]1C[C@H](O)C[N@@H+](C)CCOC ZINC000582309173 359134099 /nfs/dbraw/zinc/13/40/99/359134099.db2.gz QMAJBGARVNQIDI-ZIAGYGMSSA-N 2 2 274.405 0.162 20 0 CCADLP CO[C@@H]1C[C@@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1(C)C ZINC000582350168 359135875 /nfs/dbraw/zinc/13/58/75/359135875.db2.gz SOAMXQVLKUHUBL-IJLUTSLNSA-N 2 2 284.404 0.084 20 0 CCADLP CO[C@@H]1C[C@@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1(C)C ZINC000582350168 359135877 /nfs/dbraw/zinc/13/58/77/359135877.db2.gz SOAMXQVLKUHUBL-IJLUTSLNSA-N 2 2 284.404 0.084 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](CCOC)[C@@H]1CCOC1 ZINC000584788497 359207110 /nfs/dbraw/zinc/20/71/10/359207110.db2.gz MROOOCCLDVHCCO-OLZOCXBDSA-N 2 2 260.378 0.036 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](CCOC)[C@@H]1CCOC1 ZINC000584788497 359207113 /nfs/dbraw/zinc/20/71/13/359207113.db2.gz MROOOCCLDVHCCO-OLZOCXBDSA-N 2 2 260.378 0.036 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](CCOC)[C@@H]1CCOC1 ZINC000584788497 359207117 /nfs/dbraw/zinc/20/71/17/359207117.db2.gz MROOOCCLDVHCCO-OLZOCXBDSA-N 2 2 260.378 0.036 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](CCOC)[C@@H]1CCOC1 ZINC000584788497 359207121 /nfs/dbraw/zinc/20/71/21/359207121.db2.gz MROOOCCLDVHCCO-OLZOCXBDSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C(C)C)[C@@H]1CCOC1 ZINC000584788785 359208156 /nfs/dbraw/zinc/20/81/56/359208156.db2.gz QRCCNMMJIIRGON-KGLIPLIRSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C(C)C)[C@@H]1CCOC1 ZINC000584788785 359208161 /nfs/dbraw/zinc/20/81/61/359208161.db2.gz QRCCNMMJIIRGON-KGLIPLIRSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C(C)C)[C@@H]1CCOC1 ZINC000584788785 359208164 /nfs/dbraw/zinc/20/81/64/359208164.db2.gz QRCCNMMJIIRGON-KGLIPLIRSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C(C)C)[C@@H]1CCOC1 ZINC000584788785 359208167 /nfs/dbraw/zinc/20/81/67/359208167.db2.gz QRCCNMMJIIRGON-KGLIPLIRSA-N 2 2 274.405 0.425 20 0 CCADLP CC(C)(C)[C@H](C[NH3+])NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000584843226 359217643 /nfs/dbraw/zinc/21/76/43/359217643.db2.gz MIYSJBYODCQTED-NSHDSACASA-N 2 2 288.355 0.766 20 0 CCADLP CC[C@]1(C)C[N@H+](C[C@H](O)C[NH+](C)CCOC)CCO1 ZINC000562933298 291173830 /nfs/dbraw/zinc/17/38/30/291173830.db2.gz FCWLIGQGTCCVMQ-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP CC[C@]1(C)C[N@@H+](C[C@H](O)C[NH+](C)CCOC)CCO1 ZINC000562933298 291173832 /nfs/dbraw/zinc/17/38/32/291173832.db2.gz FCWLIGQGTCCVMQ-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP CC[C@]1(C)C[NH+](C[C@H](O)C[N@H+](C)CCOC)CCO1 ZINC000562933298 291173833 /nfs/dbraw/zinc/17/38/33/291173833.db2.gz FCWLIGQGTCCVMQ-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP CC[C@]1(C)C[NH+](C[C@H](O)C[N@@H+](C)CCOC)CCO1 ZINC000562933298 291173834 /nfs/dbraw/zinc/17/38/34/291173834.db2.gz FCWLIGQGTCCVMQ-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP Cc1ccncc1C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000563001326 291180838 /nfs/dbraw/zinc/18/08/38/291180838.db2.gz SZZYBKZIRFPQNC-IJEWVQPXSA-N 2 2 293.411 0.950 20 0 CCADLP Cc1ccncc1C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000563001326 291180840 /nfs/dbraw/zinc/18/08/40/291180840.db2.gz SZZYBKZIRFPQNC-IJEWVQPXSA-N 2 2 293.411 0.950 20 0 CCADLP C[C@H](O)[C@H](C)[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000563012268 291181574 /nfs/dbraw/zinc/18/15/74/291181574.db2.gz VTXSGKINEGUNFU-SDDRHHMPSA-N 2 2 280.372 0.270 20 0 CCADLP Cc1nc(N2CCN(C(=O)/C=C/C[NH+](C)C)CC2)cc[nH+]1 ZINC000492558516 237222926 /nfs/dbraw/zinc/22/29/26/237222926.db2.gz GDMNMZPVFOJAPL-SNAWJCMRSA-N 2 2 289.383 0.551 20 0 CCADLP C[C@H](C[S@@](C)=O)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000591760484 359654284 /nfs/dbraw/zinc/65/42/84/359654284.db2.gz LAYQHNOKESEXSG-IAMHBRQHSA-N 2 2 298.452 0.836 20 0 CCADLP C[C@H](C[S@@](C)=O)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000591760484 359654292 /nfs/dbraw/zinc/65/42/92/359654292.db2.gz LAYQHNOKESEXSG-IAMHBRQHSA-N 2 2 298.452 0.836 20 0 CCADLP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)Nc1ccncc1 ZINC000591868792 359668620 /nfs/dbraw/zinc/66/86/20/359668620.db2.gz FDMRGOSHIXDJFB-AWEZNQCLSA-N 2 2 285.351 0.976 20 0 CCADLP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)Nc1ccncc1 ZINC000591868792 359668623 /nfs/dbraw/zinc/66/86/23/359668623.db2.gz FDMRGOSHIXDJFB-AWEZNQCLSA-N 2 2 285.351 0.976 20 0 CCADLP C[C@H]([C@H](C)NC(=O)C=Cc1c[nH]c[nH+]1)[NH+]1CCOCC1 ZINC000492813807 237307532 /nfs/dbraw/zinc/30/75/32/237307532.db2.gz QLCKTLNJUICKSF-RRNNCXACSA-N 2 2 278.356 0.648 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+]2CCC(CF)CC2)CC1 ZINC000336253948 213088370 /nfs/dbraw/zinc/08/83/70/213088370.db2.gz ZZACSVDYSNUJGZ-UHFFFAOYSA-N 2 2 257.353 0.442 20 0 CCADLP C[NH+](C)CCN1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492810074 237302289 /nfs/dbraw/zinc/30/22/89/237302289.db2.gz HHXJJQZFTOQATN-ARJAWSKDSA-N 2 2 277.372 0.129 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)NCCC[NH+]1CCC(O)CC1 ZINC000492811656 237302436 /nfs/dbraw/zinc/30/24/36/237302436.db2.gz KYYHBJCVPHFIDS-IHWYPQMZSA-N 2 2 278.356 0.386 20 0 CCADLP C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+](C)CCC[NH3+] ZINC000592473759 359849694 /nfs/dbraw/zinc/84/96/94/359849694.db2.gz MMOSUHPCFGSFMW-RYUDHWBXSA-N 2 2 284.404 0.672 20 0 CCADLP C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+](C)CCC[NH3+] ZINC000592473759 359849697 /nfs/dbraw/zinc/84/96/97/359849697.db2.gz MMOSUHPCFGSFMW-RYUDHWBXSA-N 2 2 284.404 0.672 20 0 CCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1cc[nH+]cc1O)C2 ZINC000329517038 202366768 /nfs/dbraw/zinc/36/67/68/202366768.db2.gz MZZSQFXLCGPILC-JTQLQIEISA-N 2 2 272.308 0.915 20 0 CCADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000262394216 291210984 /nfs/dbraw/zinc/21/09/84/291210984.db2.gz YDKSUIMIWWRIJC-OTYXRUKQSA-N 2 2 293.342 0.787 20 0 CCADLP O=C([C@@H]1CCCCC[NH2+]1)N1CC[NH+](C2CC2)CC1 ZINC000080997068 296008840 /nfs/dbraw/zinc/00/88/40/296008840.db2.gz OKUBHHAONDUCOA-ZDUSSCGKSA-N 2 2 251.374 0.825 20 0 CCADLP Cc1cc(N2CCN(C(=O)C[NH+](C)C)CC2)nc(C)[nH+]1 ZINC000298282569 200382494 /nfs/dbraw/zinc/38/24/94/200382494.db2.gz GNMXXCBNDTYKEY-UHFFFAOYSA-N 2 2 277.372 0.304 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCOC[C@@H]1C1CCC1 ZINC000563365179 291218136 /nfs/dbraw/zinc/21/81/36/291218136.db2.gz KLJJQWUYVLJREF-ZIAGYGMSSA-N 2 2 256.390 0.800 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCOC[C@@H]1C1CCC1 ZINC000563365179 291218138 /nfs/dbraw/zinc/21/81/38/291218138.db2.gz KLJJQWUYVLJREF-ZIAGYGMSSA-N 2 2 256.390 0.800 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000563365179 291218140 /nfs/dbraw/zinc/21/81/40/291218140.db2.gz KLJJQWUYVLJREF-ZIAGYGMSSA-N 2 2 256.390 0.800 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000563365179 291218141 /nfs/dbraw/zinc/21/81/41/291218141.db2.gz KLJJQWUYVLJREF-ZIAGYGMSSA-N 2 2 256.390 0.800 20 0 CCADLP COC(=O)c1ccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)s1 ZINC000593906831 360203975 /nfs/dbraw/zinc/20/39/75/360203975.db2.gz KYVBXJMPUKAMQC-JTQLQIEISA-N 2 2 299.396 0.430 20 0 CCADLP CC[C@H](C)C[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C(=O)OC ZINC000593907407 360204659 /nfs/dbraw/zinc/20/46/59/360204659.db2.gz SBJUCOISXFZVMX-TUAOUCFPSA-N 2 2 287.404 0.359 20 0 CCADLP C[C@H](C[S@@](C)=O)[N@H+](C)C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000594611333 360340166 /nfs/dbraw/zinc/34/01/66/360340166.db2.gz IPGJLJCMRUREFN-SPKLELGKSA-N 2 2 288.457 0.939 20 0 CCADLP C[C@H](C[S@@](C)=O)[N@@H+](C)C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000594611333 360340168 /nfs/dbraw/zinc/34/01/68/360340168.db2.gz IPGJLJCMRUREFN-SPKLELGKSA-N 2 2 288.457 0.939 20 0 CCADLP CS[C@H](CO)[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000594494559 360323635 /nfs/dbraw/zinc/32/36/35/360323635.db2.gz COWHKCUZHIZZDJ-KWCYVHTRSA-N 2 2 288.457 0.942 20 0 CCADLP Cc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)nc1 ZINC000594736724 360371012 /nfs/dbraw/zinc/37/10/12/360371012.db2.gz PUAJCPUERFUYOJ-STQMWFEESA-N 2 2 260.341 0.134 20 0 CCADLP Cc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)nc1 ZINC000594736724 360371016 /nfs/dbraw/zinc/37/10/16/360371016.db2.gz PUAJCPUERFUYOJ-STQMWFEESA-N 2 2 260.341 0.134 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000595142211 360443106 /nfs/dbraw/zinc/44/31/06/360443106.db2.gz PHIMQDUJAKUTPF-RYUDHWBXSA-N 2 2 260.345 0.800 20 0 CCADLP COC(=O)C[C@]1([NH2+]Cc2c[nH+]c3n2CCC3)CCOC1 ZINC000594944203 360423217 /nfs/dbraw/zinc/42/32/17/360423217.db2.gz IKXDNNCDHHOATK-CQSZACIVSA-N 2 2 279.340 0.641 20 0 CCADLP Nc1ccc(CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c[nH+]1 ZINC000655927716 412702407 /nfs/dbraw/zinc/70/24/07/412702407.db2.gz JIWGMDYEMLZOKD-SSDOTTSWSA-N 2 2 277.250 0.353 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595505449 360553707 /nfs/dbraw/zinc/55/37/07/360553707.db2.gz UHRSMXHUABWQBK-WFASDCNBSA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595505449 360553713 /nfs/dbraw/zinc/55/37/13/360553713.db2.gz UHRSMXHUABWQBK-WFASDCNBSA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595505449 360553719 /nfs/dbraw/zinc/55/37/19/360553719.db2.gz UHRSMXHUABWQBK-WFASDCNBSA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595505449 360553725 /nfs/dbraw/zinc/55/37/25/360553725.db2.gz UHRSMXHUABWQBK-WFASDCNBSA-N 2 2 297.399 0.082 20 0 CCADLP C[NH+](C)C[C@@](C)(O)CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000684834627 545747753 /nfs/dbraw/zinc/74/77/53/545747753.db2.gz BNVAHWFEBVSJHI-ZDUSSCGKSA-N 2 2 268.361 0.116 20 0 CCADLP COC(=O)CC[N@H+](CC(C)C)C[C@H]1C[NH2+]CCO1 ZINC000595893087 360693214 /nfs/dbraw/zinc/69/32/14/360693214.db2.gz OZBBUZVNEKCCAL-GFCCVEGCSA-N 2 2 258.362 0.496 20 0 CCADLP COC(=O)CC[N@@H+](CC(C)C)C[C@H]1C[NH2+]CCO1 ZINC000595893087 360693215 /nfs/dbraw/zinc/69/32/15/360693215.db2.gz OZBBUZVNEKCCAL-GFCCVEGCSA-N 2 2 258.362 0.496 20 0 CCADLP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+](C)CC(C)(C)[NH3+] ZINC000595898672 360696187 /nfs/dbraw/zinc/69/61/87/360696187.db2.gz LVPYAEQYLOAMQE-ZETCQYMHSA-N 2 2 298.309 0.432 20 0 CCADLP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+](C)CC(C)(C)[NH3+] ZINC000595898672 360696189 /nfs/dbraw/zinc/69/61/89/360696189.db2.gz LVPYAEQYLOAMQE-ZETCQYMHSA-N 2 2 298.309 0.432 20 0 CCADLP Cc1ncc(C[NH+]2CCN(C(=O)[C@@H](C)[NH3+])CC2)s1 ZINC000178883492 189152691 /nfs/dbraw/zinc/15/26/91/189152691.db2.gz KBADCVYKHPHEFT-SECBINFHSA-N 2 2 268.386 0.443 20 0 CCADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(OCC(=O)OC)cc1 ZINC000596108744 360796696 /nfs/dbraw/zinc/79/66/96/360796696.db2.gz XFEKXQUNCYJAIV-NSHDSACASA-N 2 2 266.341 0.936 20 0 CCADLP CCNS(=O)(=O)[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000179662895 189210952 /nfs/dbraw/zinc/21/09/52/189210952.db2.gz INOWORKZYZAQDU-GFCCVEGCSA-N 2 2 286.401 0.287 20 0 CCADLP CCNS(=O)(=O)[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000179662895 189210953 /nfs/dbraw/zinc/21/09/53/189210953.db2.gz INOWORKZYZAQDU-GFCCVEGCSA-N 2 2 286.401 0.287 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]CCC(=O)Nc1cccnc1 ZINC000563952578 291260122 /nfs/dbraw/zinc/26/01/22/291260122.db2.gz LQGDUXGUNRKBJL-AWEZNQCLSA-N 2 2 291.399 0.246 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]CCC(=O)Nc1cccnc1 ZINC000563952578 291260123 /nfs/dbraw/zinc/26/01/23/291260123.db2.gz LQGDUXGUNRKBJL-AWEZNQCLSA-N 2 2 291.399 0.246 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000563992224 291262593 /nfs/dbraw/zinc/26/25/93/291262593.db2.gz DGQBBWMNIHXXKE-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000563992224 291262594 /nfs/dbraw/zinc/26/25/94/291262594.db2.gz DGQBBWMNIHXXKE-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP NC(=O)[C@@H](c1ccccc1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000564019358 291263115 /nfs/dbraw/zinc/26/31/15/291263115.db2.gz MWXIOKBPVWODSL-CYBMUJFWSA-N 2 2 285.351 0.758 20 0 CCADLP C[NH+](C)C1CCN(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC000564015311 291263164 /nfs/dbraw/zinc/26/31/64/291263164.db2.gz GFOAMIYZWDELQD-UHFFFAOYSA-N 2 2 279.388 0.025 20 0 CCADLP C[C@@H]1OCC[C@H]1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000631824240 370690151 /nfs/dbraw/zinc/69/01/51/370690151.db2.gz ZELWJKXULLGBOU-MELADBBJSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@@H]1OCC[C@H]1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000631824240 370690156 /nfs/dbraw/zinc/69/01/56/370690156.db2.gz ZELWJKXULLGBOU-MELADBBJSA-N 2 2 281.400 0.308 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](Cc2cccc3c2CCOC3)CCO1 ZINC000631823706 370690188 /nfs/dbraw/zinc/69/01/88/370690188.db2.gz LUPGQJAEUQKEND-CQSZACIVSA-N 2 2 262.353 0.919 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)CCO1 ZINC000631823706 370690193 /nfs/dbraw/zinc/69/01/93/370690193.db2.gz LUPGQJAEUQKEND-CQSZACIVSA-N 2 2 262.353 0.919 20 0 CCADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)Nc1ccccn1 ZINC000631827363 370692914 /nfs/dbraw/zinc/69/29/14/370692914.db2.gz MVDPQAUIUMDZHK-NSHDSACASA-N 2 2 262.357 0.998 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C1 ZINC000631821727 370687024 /nfs/dbraw/zinc/68/70/24/370687024.db2.gz HBYIYFUSWQXATN-YPMHNXCESA-N 2 2 251.374 0.681 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+]([C@H]2CCN(C3CCC3)C2=O)C1 ZINC000631821727 370687031 /nfs/dbraw/zinc/68/70/31/370687031.db2.gz HBYIYFUSWQXATN-YPMHNXCESA-N 2 2 251.374 0.681 20 0 CCADLP CCOC(=O)C[C@@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000599307337 361644335 /nfs/dbraw/zinc/64/43/35/361644335.db2.gz SEDKKGOOIONEOM-CYBMUJFWSA-N 2 2 281.356 0.834 20 0 CCADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H]2COC[C@H]2O)C1 ZINC000564666340 291292560 /nfs/dbraw/zinc/29/25/60/291292560.db2.gz IEKXOCYCJNASGH-FRRDWIJNSA-N 2 2 265.357 0.842 20 0 CCADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H]2COC[C@H]2O)C1 ZINC000564666340 291292562 /nfs/dbraw/zinc/29/25/62/291292562.db2.gz IEKXOCYCJNASGH-FRRDWIJNSA-N 2 2 265.357 0.842 20 0 CCADLP C[C@H](NC(=O)N[C@@H]1CC12CC[NH2+]CC2)c1[nH+]ccn1C ZINC000612994292 364078789 /nfs/dbraw/zinc/07/87/89/364078789.db2.gz PTXVANVNQHFANP-WDEREUQCSA-N 2 2 277.372 0.922 20 0 CCADLP C[C@H](NC(=O)N[C@H]1CC12CC[NH2+]CC2)c1[nH+]ccn1C ZINC000612994291 364079565 /nfs/dbraw/zinc/07/95/65/364079565.db2.gz PTXVANVNQHFANP-QWRGUYRKSA-N 2 2 277.372 0.922 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)N[C@]2(C)CC[NH2+]C2)c2[nH+]ccn21 ZINC000612909262 364042748 /nfs/dbraw/zinc/04/27/48/364042748.db2.gz TVCSPIDRBCGLOW-GBIKHYSHSA-N 2 2 263.345 0.940 20 0 CCADLP O=C1[C@H]([NH2+][C@]23CCC[C@@H]2C[NH2+]C3)CCN1CC(F)(F)F ZINC000631867534 370727582 /nfs/dbraw/zinc/72/75/82/370727582.db2.gz CZZMQKFZJZLASS-FOGDFJRCSA-N 2 2 291.317 0.881 20 0 CCADLP CCOC(=O)[C@](C)(O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000613855633 364410717 /nfs/dbraw/zinc/41/07/17/364410717.db2.gz UYZHIEYATVFAJH-TZMCWYRMSA-N 2 2 281.356 0.834 20 0 CCADLP CCOC(=O)[C@](C)(O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000613855633 364410726 /nfs/dbraw/zinc/41/07/26/364410726.db2.gz UYZHIEYATVFAJH-TZMCWYRMSA-N 2 2 281.356 0.834 20 0 CCADLP C[C@@H](NC(=O)N1CCC[C@@H]([NH3+])C1)[C@@H](C)[NH+]1CCOCC1 ZINC000417531570 296062268 /nfs/dbraw/zinc/06/22/68/296062268.db2.gz ZDGXOTJIFDJTNE-JHJVBQTASA-N 2 2 284.404 0.228 20 0 CCADLP Cc1nccnc1C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000621716084 366848471 /nfs/dbraw/zinc/84/84/71/366848471.db2.gz QXKYYCWKLBPEIH-HNNXBMFYSA-N 2 2 289.427 0.997 20 0 CCADLP Cc1nccnc1C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000621716084 366848475 /nfs/dbraw/zinc/84/84/75/366848475.db2.gz QXKYYCWKLBPEIH-HNNXBMFYSA-N 2 2 289.427 0.997 20 0 CCADLP C[NH+](C)C1(C(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)CC1 ZINC000614108188 364505973 /nfs/dbraw/zinc/50/59/73/364505973.db2.gz VARJUWIUPVIRCM-RYUDHWBXSA-N 2 2 269.364 0.725 20 0 CCADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCn1nc3ccccn3c1=O)C2 ZINC000621780620 366864737 /nfs/dbraw/zinc/86/47/37/366864737.db2.gz TTXVRSZQHWDLQG-DOMZBBRYSA-N 2 2 287.367 0.309 20 0 CCADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCn1nc3ccccn3c1=O)C2 ZINC000621780620 366864740 /nfs/dbraw/zinc/86/47/40/366864740.db2.gz TTXVRSZQHWDLQG-DOMZBBRYSA-N 2 2 287.367 0.309 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000335643074 212360027 /nfs/dbraw/zinc/36/00/27/212360027.db2.gz MMMRWHRLAUOSIS-YPMHNXCESA-N 2 2 283.351 0.615 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@@H](C)C3C[NH2+]C3)CC2)cc[nH+]1 ZINC000564940215 291321596 /nfs/dbraw/zinc/32/15/96/291321596.db2.gz LZZUYADWUWWIEH-NSHDSACASA-N 2 2 289.383 0.289 20 0 CCADLP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000615312529 364917620 /nfs/dbraw/zinc/91/76/20/364917620.db2.gz GHBGFRCFRVMJKX-YRGRVCCFSA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000615302171 364912606 /nfs/dbraw/zinc/91/26/06/364912606.db2.gz BUFRFWCMFIRQIP-MNOVXSKESA-N 2 2 250.346 0.893 20 0 CCADLP CC[C@H](O)[C@H](CC)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000564975780 291329149 /nfs/dbraw/zinc/32/91/49/291329149.db2.gz MSQRNSNBELDZQM-SEBNEYGDSA-N 2 2 288.432 0.596 20 0 CCADLP CC[C@H](O)[C@H](CC)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000564975780 291329153 /nfs/dbraw/zinc/32/91/53/291329153.db2.gz MSQRNSNBELDZQM-SEBNEYGDSA-N 2 2 288.432 0.596 20 0 CCADLP CNC(=O)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000574120604 334994023 /nfs/dbraw/zinc/99/40/23/334994023.db2.gz FVKYEQWSCYBJAG-UHFFFAOYSA-N 2 2 267.295 0.739 20 0 CCADLP C[NH+](C)CC1CN(C(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000615503089 364985606 /nfs/dbraw/zinc/98/56/06/364985606.db2.gz HOCKYBCHYJLGNE-UHFFFAOYSA-N 2 2 281.400 0.261 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000615535756 364994830 /nfs/dbraw/zinc/99/48/30/364994830.db2.gz PFELZIZLWFAUAA-HUUCEWRRSA-N 2 2 295.427 0.651 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000615535756 364994833 /nfs/dbraw/zinc/99/48/33/364994833.db2.gz PFELZIZLWFAUAA-HUUCEWRRSA-N 2 2 295.427 0.651 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621784378 366867567 /nfs/dbraw/zinc/86/75/67/366867567.db2.gz OCECBCCWRUMAGV-MCIONIFRSA-N 2 2 253.390 0.520 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000656106052 412743056 /nfs/dbraw/zinc/74/30/56/412743056.db2.gz JPMMOKMNQOXBFG-LLVKDONJSA-N 2 2 293.371 0.368 20 0 CCADLP COc1c(N)[nH+]cnc1N1CCN(c2cc[nH+]cc2)CC1 ZINC000656106576 412742557 /nfs/dbraw/zinc/74/25/57/412742557.db2.gz OJPRKWUFUVINGJ-UHFFFAOYSA-N 2 2 286.339 0.789 20 0 CCADLP COc1c(N)nc[nH+]c1N1CCN(c2cc[nH+]cc2)CC1 ZINC000656106576 412742562 /nfs/dbraw/zinc/74/25/62/412742562.db2.gz OJPRKWUFUVINGJ-UHFFFAOYSA-N 2 2 286.339 0.789 20 0 CCADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000565157911 291348836 /nfs/dbraw/zinc/34/88/36/291348836.db2.gz QUNRSVHWBQEHIJ-STQMWFEESA-N 3 2 294.443 0.541 20 0 CCADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000565157911 291348839 /nfs/dbraw/zinc/34/88/39/291348839.db2.gz QUNRSVHWBQEHIJ-STQMWFEESA-N 3 2 294.443 0.541 20 0 CCADLP CCN1CC[N@H+](CCCc2c[nH+]cn2C)[C@H](C)C1=O ZINC000565157226 291348964 /nfs/dbraw/zinc/34/89/64/291348964.db2.gz MMACXRFTEIBAAK-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP CCN1CC[N@@H+](CCCc2c[nH+]cn2C)[C@H](C)C1=O ZINC000565157226 291348965 /nfs/dbraw/zinc/34/89/65/291348965.db2.gz MMACXRFTEIBAAK-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000656118527 412744170 /nfs/dbraw/zinc/74/41/70/412744170.db2.gz PYXVGRMAAWEGHQ-QWRGUYRKSA-N 2 2 293.371 0.103 20 0 CCADLP Cn1cc[nH+]c1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C(C)(C)CO ZINC000616868594 365466624 /nfs/dbraw/zinc/46/66/24/365466624.db2.gz QRIHQHDTEYJBAW-NWDGAFQWSA-N 2 2 294.399 0.690 20 0 CCADLP Cn1cc[nH+]c1[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C(C)(C)CO ZINC000616868594 365466628 /nfs/dbraw/zinc/46/66/28/365466628.db2.gz QRIHQHDTEYJBAW-NWDGAFQWSA-N 2 2 294.399 0.690 20 0 CCADLP C[C@H](CNC(=O)C1([NH+](C)C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000616696691 365431164 /nfs/dbraw/zinc/43/11/64/365431164.db2.gz GLMFNZJMIKZJMG-UPJWGTAASA-N 2 2 283.416 0.695 20 0 CCADLP C[C@H](CNC(=O)C1([NH+](C)C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000616696691 365431166 /nfs/dbraw/zinc/43/11/66/365431166.db2.gz GLMFNZJMIKZJMG-UPJWGTAASA-N 2 2 283.416 0.695 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[N@@H+]1CCCOCC1 ZINC000275812528 193135307 /nfs/dbraw/zinc/13/53/07/193135307.db2.gz IWVWCCBBZQFTNM-UHFFFAOYSA-N 2 2 266.345 0.112 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[N@H+]1CCCOCC1 ZINC000275812528 193135309 /nfs/dbraw/zinc/13/53/09/193135309.db2.gz IWVWCCBBZQFTNM-UHFFFAOYSA-N 2 2 266.345 0.112 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000565200977 291358116 /nfs/dbraw/zinc/35/81/16/291358116.db2.gz SQJYYGUWRBBRBB-JSGCOSHPSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000565200977 291358117 /nfs/dbraw/zinc/35/81/17/291358117.db2.gz SQJYYGUWRBBRBB-JSGCOSHPSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000565200977 291358118 /nfs/dbraw/zinc/35/81/18/291358118.db2.gz SQJYYGUWRBBRBB-JSGCOSHPSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000565200977 291358119 /nfs/dbraw/zinc/35/81/19/291358119.db2.gz SQJYYGUWRBBRBB-JSGCOSHPSA-N 2 2 294.399 0.551 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CC[NH2+]C2CC2)CC1 ZINC000565211795 291360703 /nfs/dbraw/zinc/36/07/03/291360703.db2.gz DPFWSOGPKZDPRT-UHFFFAOYSA-N 3 2 282.432 0.271 20 0 CCADLP CN(C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)[C@H]1CC[NH2+]C1 ZINC000565303147 291370457 /nfs/dbraw/zinc/37/04/57/291370457.db2.gz RNRIYFWWNXDZJP-KBPBESRZSA-N 2 2 281.400 0.450 20 0 CCADLP CN(C(=O)[C@@H]1COCC[N@H+]1C1CCCC1)[C@H]1CC[NH2+]C1 ZINC000565303147 291370458 /nfs/dbraw/zinc/37/04/58/291370458.db2.gz RNRIYFWWNXDZJP-KBPBESRZSA-N 2 2 281.400 0.450 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000622369602 367136959 /nfs/dbraw/zinc/13/69/59/367136959.db2.gz UAVPZEDTXPQQLA-UHFFFAOYSA-N 2 2 276.344 0.307 20 0 CCADLP C[N@@H+]1CCN(C(=O)COc2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000566200322 291374548 /nfs/dbraw/zinc/37/45/48/291374548.db2.gz OGKAYOJUTFWHRT-LBPRGKRZSA-N 2 2 281.331 0.306 20 0 CCADLP C[N@H+]1CCN(C(=O)COc2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000566200322 291374551 /nfs/dbraw/zinc/37/45/51/291374551.db2.gz OGKAYOJUTFWHRT-LBPRGKRZSA-N 2 2 281.331 0.306 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000622631206 367231032 /nfs/dbraw/zinc/23/10/32/367231032.db2.gz IXVNVRQHZWTAAB-AWEZNQCLSA-N 2 2 294.399 0.316 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000622631206 367231035 /nfs/dbraw/zinc/23/10/35/367231035.db2.gz IXVNVRQHZWTAAB-AWEZNQCLSA-N 2 2 294.399 0.316 20 0 CCADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)NC(=O)NC(C)(C)C ZINC000424289198 299370186 /nfs/dbraw/zinc/37/01/86/299370186.db2.gz BPOHIDYPDOBMRO-HBNTYKKESA-N 2 2 284.404 0.859 20 0 CCADLP O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000623260053 367497721 /nfs/dbraw/zinc/49/77/21/367497721.db2.gz SRQORKVPRXDEQZ-GWCFXTLKSA-N 2 2 260.341 0.551 20 0 CCADLP O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000623260053 367497725 /nfs/dbraw/zinc/49/77/25/367497725.db2.gz SRQORKVPRXDEQZ-GWCFXTLKSA-N 2 2 260.341 0.551 20 0 CCADLP CC[NH+](CC)CCCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623394924 367553990 /nfs/dbraw/zinc/55/39/90/367553990.db2.gz XTARDZVMDKERDQ-ZDUSSCGKSA-N 2 2 286.420 0.348 20 0 CCADLP CC[NH+](CC)CCCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623394924 367553991 /nfs/dbraw/zinc/55/39/91/367553991.db2.gz XTARDZVMDKERDQ-ZDUSSCGKSA-N 2 2 286.420 0.348 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623262269 367500126 /nfs/dbraw/zinc/50/01/26/367500126.db2.gz VIVUNDQIOPNWDW-SNVBAGLBSA-N 2 2 271.324 0.699 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000574158975 334996879 /nfs/dbraw/zinc/99/68/79/334996879.db2.gz XCGJEFWOPXRYDQ-WDEREUQCSA-N 2 2 286.338 0.982 20 0 CCADLP Cc1cc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)nn1C ZINC000623619624 367605399 /nfs/dbraw/zinc/60/53/99/367605399.db2.gz PSHOESOUYQQJMZ-ZDUSSCGKSA-N 2 2 279.388 0.158 20 0 CCADLP Cc1cc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)nn1C ZINC000623619624 367605405 /nfs/dbraw/zinc/60/54/05/367605405.db2.gz PSHOESOUYQQJMZ-ZDUSSCGKSA-N 2 2 279.388 0.158 20 0 CCADLP Cc1ncccc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000623618306 367605456 /nfs/dbraw/zinc/60/54/56/367605456.db2.gz MDJWWMYCIXQVJQ-AWEZNQCLSA-N 2 2 276.384 0.819 20 0 CCADLP Cc1ncccc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000623618306 367605462 /nfs/dbraw/zinc/60/54/62/367605462.db2.gz MDJWWMYCIXQVJQ-AWEZNQCLSA-N 2 2 276.384 0.819 20 0 CCADLP O[C@@H]1COCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000623766343 367652711 /nfs/dbraw/zinc/65/27/11/367652711.db2.gz DQWZYZJYXNIRCZ-HZPDHXFCSA-N 2 2 291.395 0.785 20 0 CCADLP CC(C)[C@@H]1C[C@H]([NH2+]CC[N@@H+]2CC[C@H](O)C2)CCO1 ZINC000623837577 367675884 /nfs/dbraw/zinc/67/58/84/367675884.db2.gz KTEVUOQRGKFXLR-RDBSUJKOSA-N 2 2 256.390 0.846 20 0 CCADLP CC(C)[C@@H]1C[C@H]([NH2+]CC[N@H+]2CC[C@H](O)C2)CCO1 ZINC000623837577 367675887 /nfs/dbraw/zinc/67/58/87/367675887.db2.gz KTEVUOQRGKFXLR-RDBSUJKOSA-N 2 2 256.390 0.846 20 0 CCADLP CCOC[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624085283 367748215 /nfs/dbraw/zinc/74/82/15/367748215.db2.gz KMIOUEGQEAOBMR-RYUDHWBXSA-N 2 2 257.378 0.341 20 0 CCADLP CCOC[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624085283 367748216 /nfs/dbraw/zinc/74/82/16/367748216.db2.gz KMIOUEGQEAOBMR-RYUDHWBXSA-N 2 2 257.378 0.341 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCOC1 ZINC000624085380 367748303 /nfs/dbraw/zinc/74/83/03/367748303.db2.gz QSANZOPOYDEKNM-NEPJUHHUSA-N 2 2 255.362 0.095 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCOC1 ZINC000624085380 367748304 /nfs/dbraw/zinc/74/83/04/367748304.db2.gz QSANZOPOYDEKNM-NEPJUHHUSA-N 2 2 255.362 0.095 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)[C@H]1C ZINC000624086810 367749924 /nfs/dbraw/zinc/74/99/24/367749924.db2.gz XAOZZEGSRZXHGC-XQHKEYJVSA-N 2 2 253.390 0.960 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)[C@H]1C ZINC000624086810 367749926 /nfs/dbraw/zinc/74/99/26/367749926.db2.gz XAOZZEGSRZXHGC-XQHKEYJVSA-N 2 2 253.390 0.960 20 0 CCADLP Cc1nccnc1[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000275914814 193161966 /nfs/dbraw/zinc/16/19/66/193161966.db2.gz VAGYFMSUZLKVPV-YPMHNXCESA-N 2 2 291.399 0.775 20 0 CCADLP Cc1nccnc1[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000275914814 193161967 /nfs/dbraw/zinc/16/19/67/193161967.db2.gz VAGYFMSUZLKVPV-YPMHNXCESA-N 2 2 291.399 0.775 20 0 CCADLP C[NH+](C)Cc1ccc(S(=O)(=O)NCc2[nH]cc[nH+]2)cc1 ZINC000632143097 370888886 /nfs/dbraw/zinc/88/88/86/370888886.db2.gz NSWHGHLJWWUSKG-UHFFFAOYSA-N 2 2 294.380 0.950 20 0 CCADLP C[C@H]1CN(c2nc(N)[nH+]c(N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000624279500 367818476 /nfs/dbraw/zinc/81/84/76/367818476.db2.gz UCMMCALHMZILGN-NSHDSACASA-N 2 2 299.382 0.407 20 0 CCADLP C[C@H]1CN(c2nc(N)[nH+]c(N)n2)CC[N@H+]1Cc1ccccc1 ZINC000624279500 367818479 /nfs/dbraw/zinc/81/84/79/367818479.db2.gz UCMMCALHMZILGN-NSHDSACASA-N 2 2 299.382 0.407 20 0 CCADLP O[C@H]1CC[N@H+](CC[NH2+]C2CCN(c3cnccn3)CC2)C1 ZINC000624333334 367836182 /nfs/dbraw/zinc/83/61/82/367836182.db2.gz OHOCYIPKPLQXBA-AWEZNQCLSA-N 2 2 291.399 0.102 20 0 CCADLP O[C@H]1CC[N@@H+](CC[NH2+]C2CCN(c3cnccn3)CC2)C1 ZINC000624333334 367836186 /nfs/dbraw/zinc/83/61/86/367836186.db2.gz OHOCYIPKPLQXBA-AWEZNQCLSA-N 2 2 291.399 0.102 20 0 CCADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)C1CC[NH+](C)CC1 ZINC000624333043 367836493 /nfs/dbraw/zinc/83/64/93/367836493.db2.gz GZZVXXJWNALWAE-OCCSQVGLSA-N 3 2 255.406 0.373 20 0 CCADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)C1CC[NH+](C)CC1 ZINC000624333043 367836499 /nfs/dbraw/zinc/83/64/99/367836499.db2.gz GZZVXXJWNALWAE-OCCSQVGLSA-N 3 2 255.406 0.373 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000335530026 212222598 /nfs/dbraw/zinc/22/25/98/212222598.db2.gz BAZNDQNEVYUWPM-BXUZGUMPSA-N 2 2 262.357 0.768 20 0 CCADLP C[C@@H](Cc1cnccn1)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624339174 367839967 /nfs/dbraw/zinc/83/99/67/367839967.db2.gz MTMPXZTUIPEZEX-AAEUAGOBSA-N 2 2 250.346 0.064 20 0 CCADLP C[C@@H](Cc1cnccn1)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624339174 367839968 /nfs/dbraw/zinc/83/99/68/367839968.db2.gz MTMPXZTUIPEZEX-AAEUAGOBSA-N 2 2 250.346 0.064 20 0 CCADLP O[C@H]1CC[N@H+](CCNc2nc3ccccc3n3c[nH+]cc23)C1 ZINC000624777807 367992914 /nfs/dbraw/zinc/99/29/14/367992914.db2.gz DUGRBUMXEXKKIO-LBPRGKRZSA-N 2 2 297.362 0.783 20 0 CCADLP O[C@H]1CC[N@@H+](CCNc2nc3ccccc3n3c[nH+]cc23)C1 ZINC000624777807 367992917 /nfs/dbraw/zinc/99/29/17/367992917.db2.gz DUGRBUMXEXKKIO-LBPRGKRZSA-N 2 2 297.362 0.783 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000624744367 367980844 /nfs/dbraw/zinc/98/08/44/367980844.db2.gz QSEKOFLNTOAKOQ-IHRRRGAJSA-N 2 2 296.415 0.243 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000624744367 367980852 /nfs/dbraw/zinc/98/08/52/367980852.db2.gz QSEKOFLNTOAKOQ-IHRRRGAJSA-N 2 2 296.415 0.243 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000624744367 367980860 /nfs/dbraw/zinc/98/08/60/367980860.db2.gz QSEKOFLNTOAKOQ-IHRRRGAJSA-N 2 2 296.415 0.243 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000624744367 367980863 /nfs/dbraw/zinc/98/08/63/367980863.db2.gz QSEKOFLNTOAKOQ-IHRRRGAJSA-N 2 2 296.415 0.243 20 0 CCADLP COc1c(N)[nH+]cnc1N(C)CC[NH+]1CCCCC1 ZINC000656203650 412766641 /nfs/dbraw/zinc/76/66/41/412766641.db2.gz KCDTXMGFDKWOFT-UHFFFAOYSA-N 2 2 265.361 0.990 20 0 CCADLP Cn1cc(CC[NH+]2CCC3(CCC[N@@H+]3C)CC2)nn1 ZINC000625287109 368136068 /nfs/dbraw/zinc/13/60/68/368136068.db2.gz KCXCRLRORRENAB-UHFFFAOYSA-N 2 2 263.389 0.918 20 0 CCADLP Cn1cc(CC[NH+]2CCC3(CCC[N@H+]3C)CC2)nn1 ZINC000625287109 368136074 /nfs/dbraw/zinc/13/60/74/368136074.db2.gz KCXCRLRORRENAB-UHFFFAOYSA-N 2 2 263.389 0.918 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccnn3)C2)CC1 ZINC000625520178 368231721 /nfs/dbraw/zinc/23/17/21/368231721.db2.gz ANVNVGALDMEVQJ-GFCCVEGCSA-N 2 2 289.383 0.375 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cccnn3)C2)CC1 ZINC000625520178 368231727 /nfs/dbraw/zinc/23/17/27/368231727.db2.gz ANVNVGALDMEVQJ-GFCCVEGCSA-N 2 2 289.383 0.375 20 0 CCADLP C[C@@H](O)CCC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625544765 368237497 /nfs/dbraw/zinc/23/74/97/368237497.db2.gz AVGXYRLXRQGRFJ-CYBMUJFWSA-N 2 2 256.390 0.944 20 0 CCADLP C[C@H](O)CCC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625544766 368237837 /nfs/dbraw/zinc/23/78/37/368237837.db2.gz AVGXYRLXRQGRFJ-ZDUSSCGKSA-N 2 2 256.390 0.944 20 0 CCADLP c1cn(CCC[NH+]2CCN(c3nccnn3)CC2)c[nH+]1 ZINC000625641924 368281710 /nfs/dbraw/zinc/28/17/10/368281710.db2.gz HTJLPHWKKAZJAX-UHFFFAOYSA-N 2 2 273.344 0.280 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@]2(CO)CCCC(C)(C)C2)CC1 ZINC000625836302 368341930 /nfs/dbraw/zinc/34/19/30/368341930.db2.gz ZIRQCODPMWGBTH-INIZCTEOSA-N 2 2 297.443 0.681 20 0 CCADLP Cc1cc(NC(=O)NCCOCCC[NH3+])cc[nH+]1 ZINC000625874155 368354078 /nfs/dbraw/zinc/35/40/78/368354078.db2.gz VWYDSBDBNUTDMA-UHFFFAOYSA-N 2 2 252.318 0.299 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000625897855 368362001 /nfs/dbraw/zinc/36/20/01/368362001.db2.gz XBENTADHMXLPHG-AWEZNQCLSA-N 2 2 290.367 0.742 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000625897855 368362003 /nfs/dbraw/zinc/36/20/03/368362003.db2.gz XBENTADHMXLPHG-AWEZNQCLSA-N 2 2 290.367 0.742 20 0 CCADLP C[C@H](CO)C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000625960345 368375073 /nfs/dbraw/zinc/37/50/73/368375073.db2.gz IYHGTMRBFIWPPX-ZDUSSCGKSA-N 2 2 256.390 0.802 20 0 CCADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@H](O)COC)CC1 ZINC000626088286 368436102 /nfs/dbraw/zinc/43/61/02/368436102.db2.gz RRYWPUDDEIJLNQ-CQSZACIVSA-N 2 2 286.416 0.571 20 0 CCADLP CC(=O)NC[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000626159006 368463990 /nfs/dbraw/zinc/46/39/90/368463990.db2.gz FQUDPDQNZCRXNQ-GJZGRUSLSA-N 2 2 285.432 0.678 20 0 CCADLP CC(=O)NC[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000626159006 368463993 /nfs/dbraw/zinc/46/39/93/368463993.db2.gz FQUDPDQNZCRXNQ-GJZGRUSLSA-N 2 2 285.432 0.678 20 0 CCADLP CC(=O)NC[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000626159006 368463999 /nfs/dbraw/zinc/46/39/99/368463999.db2.gz FQUDPDQNZCRXNQ-GJZGRUSLSA-N 2 2 285.432 0.678 20 0 CCADLP CC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000626159006 368464006 /nfs/dbraw/zinc/46/40/06/368464006.db2.gz FQUDPDQNZCRXNQ-GJZGRUSLSA-N 2 2 285.432 0.678 20 0 CCADLP C[NH2+]CCC[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000574206425 335000738 /nfs/dbraw/zinc/00/07/38/335000738.db2.gz VHVVBIJSEYSZIF-LBPRGKRZSA-N 2 2 275.418 0.096 20 0 CCADLP C[NH2+]CCC[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000574206425 335000740 /nfs/dbraw/zinc/00/07/40/335000740.db2.gz VHVVBIJSEYSZIF-LBPRGKRZSA-N 2 2 275.418 0.096 20 0 CCADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)N[C@@H]1CC[NH2+]C1 ZINC000626969215 368702868 /nfs/dbraw/zinc/70/28/68/368702868.db2.gz SGFVNFCOOFGIDW-MRVPVSSYSA-N 2 2 291.277 0.607 20 0 CCADLP C[C@@H](NC(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@@H](C)[NH+]1CCOCC1 ZINC000626970852 368704057 /nfs/dbraw/zinc/70/40/57/368704057.db2.gz WANRKLODPJLZJD-YVECIDJPSA-N 2 2 284.404 0.145 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCCn1cc[nH+]c1 ZINC000626917692 368676234 /nfs/dbraw/zinc/67/62/34/368676234.db2.gz KYCNCOXQXGPEEJ-WDEREUQCSA-N 2 2 251.334 0.323 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000626935017 368686258 /nfs/dbraw/zinc/68/62/58/368686258.db2.gz UYCGGGUITHFFMG-CMPLNLGQSA-N 2 2 277.372 0.697 20 0 CCADLP C[C@H](NC(=O)NC[C@@H]1COCC[N@@H+]1C)[C@@H]1CCC[NH2+]C1 ZINC000627070538 368769243 /nfs/dbraw/zinc/76/92/43/368769243.db2.gz VRWUBQWKAAXFQB-YNEHKIRRSA-N 2 2 284.404 0.004 20 0 CCADLP C[C@H](NC(=O)NC[C@@H]1COCC[N@H+]1C)[C@@H]1CCC[NH2+]C1 ZINC000627070538 368769244 /nfs/dbraw/zinc/76/92/44/368769244.db2.gz VRWUBQWKAAXFQB-YNEHKIRRSA-N 2 2 284.404 0.004 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627070562 368769251 /nfs/dbraw/zinc/76/92/51/368769251.db2.gz BYCGEDIZJUORNB-GFCCVEGCSA-N 2 2 272.393 0.004 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627070562 368769252 /nfs/dbraw/zinc/76/92/52/368769252.db2.gz BYCGEDIZJUORNB-GFCCVEGCSA-N 2 2 272.393 0.004 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000627078335 368776397 /nfs/dbraw/zinc/77/63/97/368776397.db2.gz NMILKIVRSZGKSQ-KGLIPLIRSA-N 2 2 292.383 0.316 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000627078335 368776401 /nfs/dbraw/zinc/77/64/01/368776401.db2.gz NMILKIVRSZGKSQ-KGLIPLIRSA-N 2 2 292.383 0.316 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627043212 368752599 /nfs/dbraw/zinc/75/25/99/368752599.db2.gz OJVCMRDQHSYMPP-GXSJLCMTSA-N 2 2 264.329 0.640 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)N(C)CC[NH+]2CCOCC2)C[NH2+]1 ZINC000627198826 368867171 /nfs/dbraw/zinc/86/71/71/368867171.db2.gz YDCRTXPZZFNVDP-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)N2CCn3c[nH+]cc3C2)C[NH2+]1 ZINC000627206750 368877801 /nfs/dbraw/zinc/87/78/01/368877801.db2.gz ILJLKADWNCMDBC-MNOVXSKESA-N 2 2 263.345 0.549 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000627240490 368903118 /nfs/dbraw/zinc/90/31/18/368903118.db2.gz QZTZSARTNRUMFJ-BFHYXJOUSA-N 2 2 296.415 0.243 20 0 CCADLP CN(C(=O)NC[C@@H]1COCC[N@@H+]1C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000627183954 368852685 /nfs/dbraw/zinc/85/26/85/368852685.db2.gz PQMUYWJMDMMFKY-QNMSZWNNSA-N 2 2 296.415 0.241 20 0 CCADLP CN(C(=O)NC[C@@H]1COCC[N@H+]1C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000627183954 368852686 /nfs/dbraw/zinc/85/26/86/368852686.db2.gz PQMUYWJMDMMFKY-QNMSZWNNSA-N 2 2 296.415 0.241 20 0 CCADLP CN(C(=O)NC[C@H]1COCC[N@@H+]1C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000627183953 368854014 /nfs/dbraw/zinc/85/40/14/368854014.db2.gz PQMUYWJMDMMFKY-PIGZVRMJSA-N 2 2 296.415 0.241 20 0 CCADLP CN(C(=O)NC[C@H]1COCC[N@H+]1C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000627183953 368854015 /nfs/dbraw/zinc/85/40/15/368854015.db2.gz PQMUYWJMDMMFKY-PIGZVRMJSA-N 2 2 296.415 0.241 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+](C)[C@]2(CO)CCOC2)n1C ZINC000628367898 369250589 /nfs/dbraw/zinc/25/05/89/369250589.db2.gz XXSZLFKTMKBTQC-ZDUSSCGKSA-N 2 2 268.361 0.069 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+](C)[C@]2(CO)CCOC2)n1C ZINC000628367898 369250591 /nfs/dbraw/zinc/25/05/91/369250591.db2.gz XXSZLFKTMKBTQC-ZDUSSCGKSA-N 2 2 268.361 0.069 20 0 CCADLP OCC[NH+](CCO)C1CC[NH+](Cc2ccccn2)CC1 ZINC000628369556 369252163 /nfs/dbraw/zinc/25/21/63/369252163.db2.gz INZLPOYWDYZUFX-UHFFFAOYSA-N 2 2 279.384 0.333 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cnc(C2CC2)o1 ZINC000628421627 369266294 /nfs/dbraw/zinc/26/62/94/369266294.db2.gz LHTAMHYBFVXTNQ-ZDUSSCGKSA-N 2 2 292.383 0.981 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cnc(C2CC2)o1 ZINC000628421627 369266300 /nfs/dbraw/zinc/26/63/00/369266300.db2.gz LHTAMHYBFVXTNQ-ZDUSSCGKSA-N 2 2 292.383 0.981 20 0 CCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628911908 369443432 /nfs/dbraw/zinc/44/34/32/369443432.db2.gz CULUCPMHSDCZRW-STQMWFEESA-N 2 2 294.399 0.843 20 0 CCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628911908 369443436 /nfs/dbraw/zinc/44/34/36/369443436.db2.gz CULUCPMHSDCZRW-STQMWFEESA-N 2 2 294.399 0.843 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC000628920590 369463798 /nfs/dbraw/zinc/46/37/98/369463798.db2.gz ZMBCKSVCMXWPJR-GFCCVEGCSA-N 2 2 266.345 0.110 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC000628920590 369463803 /nfs/dbraw/zinc/46/38/03/369463803.db2.gz ZMBCKSVCMXWPJR-GFCCVEGCSA-N 2 2 266.345 0.110 20 0 CCADLP CCC[NH+]1CCC([NH2+]CC2([NH3+])CCOCC2)CC1 ZINC000629387731 369651070 /nfs/dbraw/zinc/65/10/70/369651070.db2.gz LWUKZTYDFKXACL-UHFFFAOYSA-N 3 2 255.406 0.958 20 0 CCADLP CC(C)[NH+]1CCC([NH2+]CC2([NH3+])CCOCC2)CC1 ZINC000629387796 369651199 /nfs/dbraw/zinc/65/11/99/369651199.db2.gz NJKVKHIWWWCQTA-UHFFFAOYSA-N 3 2 255.406 0.957 20 0 CCADLP Fc1cc(C[NH2+][C@@H]2CC[NH2+]C2)ccc1-n1cncn1 ZINC000629407872 369665995 /nfs/dbraw/zinc/66/59/95/369665995.db2.gz BDULADAANHDBPB-LLVKDONJSA-N 2 2 261.304 0.858 20 0 CCADLP C[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)C[NH+]1CCOCC1 ZINC000629564420 369709682 /nfs/dbraw/zinc/70/96/82/369709682.db2.gz JXKVNEDBHNKNSL-GJZGRUSLSA-N 3 2 285.432 0.001 20 0 CCADLP C[C@@H](CNC[C@H](O)C[NH+]1CCCC1)C[NH+]1CCOCC1 ZINC000629564420 369709689 /nfs/dbraw/zinc/70/96/89/369709689.db2.gz JXKVNEDBHNKNSL-GJZGRUSLSA-N 2 2 285.432 0.001 20 0 CCADLP C[NH2+]CCOCC[N@H+](C)CC(=O)N(C)c1nccs1 ZINC000629569681 369714276 /nfs/dbraw/zinc/71/42/76/369714276.db2.gz DSGRKVBVPHXPHI-UHFFFAOYSA-N 2 2 286.401 0.274 20 0 CCADLP C[NH2+]CCOCC[N@@H+](C)CC(=O)N(C)c1nccs1 ZINC000629569681 369714282 /nfs/dbraw/zinc/71/42/82/369714282.db2.gz DSGRKVBVPHXPHI-UHFFFAOYSA-N 2 2 286.401 0.274 20 0 CCADLP C[C@H]([NH3+])[C@@H]1C[N@H+](CCOC2CCOCC2)CCO1 ZINC000629512844 369687785 /nfs/dbraw/zinc/68/77/85/369687785.db2.gz IOBAHOVCDLKTSQ-AAEUAGOBSA-N 2 2 258.362 0.230 20 0 CCADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCOC2CCOCC2)CCO1 ZINC000629512844 369687791 /nfs/dbraw/zinc/68/77/91/369687791.db2.gz IOBAHOVCDLKTSQ-AAEUAGOBSA-N 2 2 258.362 0.230 20 0 CCADLP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1cc2n(n1)CCC2 ZINC000629520941 369690428 /nfs/dbraw/zinc/69/04/28/369690428.db2.gz NGFNNGFKPHNRQU-NSHDSACASA-N 2 2 264.373 0.988 20 0 CCADLP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1c[nH+]ccc1N ZINC000629521296 369690659 /nfs/dbraw/zinc/69/06/59/369690659.db2.gz POMACPOJFAXUEA-JTQLQIEISA-N 3 2 250.346 0.653 20 0 CCADLP CC(C)(C)CNC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000629532369 369693096 /nfs/dbraw/zinc/69/30/96/369693096.db2.gz XAASRAMKDJBDLR-NEPJUHHUSA-N 2 2 253.390 0.833 20 0 CCADLP CC(C)(C)CNC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000629532369 369693100 /nfs/dbraw/zinc/69/31/00/369693100.db2.gz XAASRAMKDJBDLR-NEPJUHHUSA-N 2 2 253.390 0.833 20 0 CCADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCN1CC[C@@H](O)C1 ZINC000629548875 369701392 /nfs/dbraw/zinc/70/13/92/369701392.db2.gz ZWTHRYZXFYZANK-BMFZPTHFSA-N 2 2 277.412 0.601 20 0 CCADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)C1 ZINC000629674206 369753358 /nfs/dbraw/zinc/75/33/58/369753358.db2.gz YLXSBDYHFQBOCU-GVXVVHGQSA-N 2 2 251.374 0.727 20 0 CCADLP O[C@@H](C[NH2+]Cc1ccc2c[nH+]cn2c1)C[NH+]1CCCC1 ZINC000629580857 369724916 /nfs/dbraw/zinc/72/49/16/369724916.db2.gz WXWFUSQTMZBHQL-HNNXBMFYSA-N 3 2 274.368 0.881 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@](C)(O)CC[NH+](C)C ZINC000629984196 369869804 /nfs/dbraw/zinc/86/98/04/369869804.db2.gz BIDKBXXEDNBYQU-JMSVASOKSA-N 2 2 294.399 0.343 20 0 CCADLP C[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC000630002942 369885862 /nfs/dbraw/zinc/88/58/62/369885862.db2.gz ONHBCMPWRUGOCU-JTQLQIEISA-N 2 2 250.346 0.847 20 0 CCADLP C[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC000630002942 369885866 /nfs/dbraw/zinc/88/58/66/369885866.db2.gz ONHBCMPWRUGOCU-JTQLQIEISA-N 2 2 250.346 0.847 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCc1cn[nH]c1 ZINC000630018578 369899227 /nfs/dbraw/zinc/89/92/27/369899227.db2.gz FVKMPJIFXPHBBJ-UHFFFAOYSA-N 2 2 281.404 0.342 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCc1cn[nH]c1 ZINC000630018578 369899234 /nfs/dbraw/zinc/89/92/34/369899234.db2.gz FVKMPJIFXPHBBJ-UHFFFAOYSA-N 2 2 281.404 0.342 20 0 CCADLP OC[C@H]1CCCCN1c1cc(N2C[C@@H]3C[C@H]2C[NH2+]3)nc[nH+]1 ZINC000630555370 370168673 /nfs/dbraw/zinc/16/86/73/370168673.db2.gz JULLTNMNZJYVKX-XQQFMLRXSA-N 2 2 289.383 0.378 20 0 CCADLP Nc1nc(N2CCC([NH2+]CCO)CC2)[nH+]c2ccccc12 ZINC000567553213 291490774 /nfs/dbraw/zinc/49/07/74/291490774.db2.gz GTKJPAYMURVEHP-UHFFFAOYSA-N 2 2 287.367 0.593 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000630545750 370161117 /nfs/dbraw/zinc/16/11/17/370161117.db2.gz PEWXWLNFKKOQTJ-RWMBFGLXSA-N 2 2 291.399 0.990 20 0 CCADLP C[C@H](O)CNc1cc(NC2CC[NH2+]CC2)nc[nH+]1 ZINC000630548859 370162522 /nfs/dbraw/zinc/16/25/22/370162522.db2.gz HBXWRGSTTPDFPF-VIFPVBQESA-N 2 2 251.334 0.433 20 0 CCADLP C[C@H](O)CNc1cc(NC2CC[NH2+]CC2)[nH+]cn1 ZINC000630548859 370162526 /nfs/dbraw/zinc/16/25/26/370162526.db2.gz HBXWRGSTTPDFPF-VIFPVBQESA-N 2 2 251.334 0.433 20 0 CCADLP OC[C@@H]1CCCN(c2cc(N[C@@H]3CC[NH2+]C3)nc[nH+]2)C1 ZINC000630547948 370162688 /nfs/dbraw/zinc/16/26/88/370162688.db2.gz OQTQHDVXTFQZJV-VXGBXAGGSA-N 2 2 277.372 0.459 20 0 CCADLP CCC[C@@H]([NH3+])c1cn(CC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000630611898 370209459 /nfs/dbraw/zinc/20/94/59/370209459.db2.gz MRFGMPDQDNHLAH-CYBMUJFWSA-N 3 2 282.436 0.962 20 0 CCADLP CCC[C@@H]([NH3+])c1cn(CC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000630611898 370209462 /nfs/dbraw/zinc/20/94/62/370209462.db2.gz MRFGMPDQDNHLAH-CYBMUJFWSA-N 3 2 282.436 0.962 20 0 CCADLP c1c(C[NH+]2CCSCC2)nnn1C[C@@H]1CCC[NH2+]1 ZINC000630605133 370204338 /nfs/dbraw/zinc/20/43/38/370204338.db2.gz XIGMKDNIWFFHNJ-NSHDSACASA-N 2 2 267.402 0.579 20 0 CCADLP COc1cncc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c1C ZINC000631049879 370368184 /nfs/dbraw/zinc/36/81/84/370368184.db2.gz NQJOOCDYKOYIMF-AWEZNQCLSA-N 2 2 279.384 0.945 20 0 CCADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000631056168 370370122 /nfs/dbraw/zinc/37/01/22/370370122.db2.gz KQGDAFLDSAIEAS-QWHCGFSZSA-N 2 2 281.404 0.744 20 0 CCADLP CCC[N@@H+]1CC[C@@H](CNc2nc(C)[nH+]c(N)n2)C1 ZINC000631070750 370376189 /nfs/dbraw/zinc/37/61/89/370376189.db2.gz FMHIQZZPSKYQGD-JTQLQIEISA-N 2 2 250.350 0.158 20 0 CCADLP CCC[N@H+]1CC[C@@H](CNc2nc(C)[nH+]c(N)n2)C1 ZINC000631070750 370376194 /nfs/dbraw/zinc/37/61/94/370376194.db2.gz FMHIQZZPSKYQGD-JTQLQIEISA-N 2 2 250.350 0.158 20 0 CCADLP CCC[N@@H+]1CC[C@@H](CNc2nc(N)nc(C)[nH+]2)C1 ZINC000631070750 370376199 /nfs/dbraw/zinc/37/61/99/370376199.db2.gz FMHIQZZPSKYQGD-JTQLQIEISA-N 2 2 250.350 0.158 20 0 CCADLP CCC[N@H+]1CC[C@@H](CNc2nc(N)nc(C)[nH+]2)C1 ZINC000631070750 370376202 /nfs/dbraw/zinc/37/62/02/370376202.db2.gz FMHIQZZPSKYQGD-JTQLQIEISA-N 2 2 250.350 0.158 20 0 CCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CC[C@H](O)C(F)F)C1 ZINC000631217540 370426615 /nfs/dbraw/zinc/42/66/15/370426615.db2.gz YJSDTVQJIUVMFR-ZJUUUORDSA-N 2 2 252.305 0.313 20 0 CCADLP COCC[N@H+]1CC[C@@H]([NH2+]CC[C@H](O)C(F)F)C1 ZINC000631217540 370426620 /nfs/dbraw/zinc/42/66/20/370426620.db2.gz YJSDTVQJIUVMFR-ZJUUUORDSA-N 2 2 252.305 0.313 20 0 CCADLP O[C@@H]1COC[C@@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000631200193 370418848 /nfs/dbraw/zinc/41/88/48/370418848.db2.gz GBTQHKDFCWDOSQ-NWDGAFQWSA-N 2 2 265.338 0.783 20 0 CCADLP CCCC[N@H+](C)C[C@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000631290691 370457062 /nfs/dbraw/zinc/45/70/62/370457062.db2.gz SYLZFDXMCUKMEU-VIFPVBQESA-N 2 2 252.366 0.547 20 0 CCADLP CCCC[N@@H+](C)C[C@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000631290691 370457065 /nfs/dbraw/zinc/45/70/65/370457065.db2.gz SYLZFDXMCUKMEU-VIFPVBQESA-N 2 2 252.366 0.547 20 0 CCADLP CCOC(=O)CC[C@H](O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000567690836 291502481 /nfs/dbraw/zinc/50/24/81/291502481.db2.gz KFDZSBKGLHTWMF-LBPRGKRZSA-N 2 2 298.387 0.280 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CC2CSC2)CC1 ZINC000631625259 370614586 /nfs/dbraw/zinc/61/45/86/370614586.db2.gz NEGYGSGVGQKYBY-UHFFFAOYSA-N 2 2 285.457 0.882 20 0 CCADLP CN(CC[NH+]1CCCC1)C(=O)NCc1[nH+]ccn1C ZINC000331689928 204078368 /nfs/dbraw/zinc/07/83/68/204078368.db2.gz WRVBUXIWMAOVKL-UHFFFAOYSA-N 2 2 265.361 0.657 20 0 CCADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCCN1CCOCC1 ZINC000331972567 204348642 /nfs/dbraw/zinc/34/86/42/204348642.db2.gz JWTCSJHHBWVTJV-KGLIPLIRSA-N 2 2 255.406 0.958 20 0 CCADLP [NH3+][C@@H]1CCCCC[C@@H]1NCCC[NH+]1CCOCC1 ZINC000331972567 204348645 /nfs/dbraw/zinc/34/86/45/204348645.db2.gz JWTCSJHHBWVTJV-KGLIPLIRSA-N 2 2 255.406 0.958 20 0 CCADLP C[C@@H](NC(=O)N1CCC[NH2+]CC1)[C@H](C)[NH+]1CCOCC1 ZINC000332004365 204380725 /nfs/dbraw/zinc/38/07/25/204380725.db2.gz OEZBXKMOLKUAPY-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCC2CC(F)(F)C2)[C@@H](C[NH3+])C1 ZINC000633783190 371707304 /nfs/dbraw/zinc/70/73/04/371707304.db2.gz NJHYWLYCDGYWAW-NSHDSACASA-N 2 2 290.358 0.706 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)N1CC[NH+](C)CC1 ZINC000337352941 214024246 /nfs/dbraw/zinc/02/42/46/214024246.db2.gz ZZKTWAXHBRFKIV-UHFFFAOYSA-N 2 2 277.372 0.605 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[NH+](C)CC2(C)C)CCO1 ZINC000337324132 214006261 /nfs/dbraw/zinc/00/62/61/214006261.db2.gz TYYLBPRVXYZQFH-CYBMUJFWSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](C)CC2(C)C)CCO1 ZINC000337324132 214006262 /nfs/dbraw/zinc/00/62/62/214006262.db2.gz TYYLBPRVXYZQFH-CYBMUJFWSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[N@H+](C)CC2(C)C)CCO1 ZINC000337324132 214006265 /nfs/dbraw/zinc/00/62/65/214006265.db2.gz TYYLBPRVXYZQFH-CYBMUJFWSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[N@@H+](C)CC2(C)C)CCO1 ZINC000337324132 214006267 /nfs/dbraw/zinc/00/62/67/214006267.db2.gz TYYLBPRVXYZQFH-CYBMUJFWSA-N 2 2 255.406 0.733 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](CCCC2CCOCC2)CC1 ZINC000574393982 335015573 /nfs/dbraw/zinc/01/55/73/335015573.db2.gz GIMRZGAATODAJR-UHFFFAOYSA-N 2 2 297.443 0.899 20 0 CCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C3CC(=O)C3)c2)CC1 ZINC000634194717 371944789 /nfs/dbraw/zinc/94/47/89/371944789.db2.gz WXTYVWVCAUGQMP-UHFFFAOYSA-N 2 2 288.351 0.751 20 0 CCADLP O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000567908660 291534912 /nfs/dbraw/zinc/53/49/12/291534912.db2.gz FGTJXWVDOFLDEK-CHWSQXEVSA-N 2 2 286.335 0.416 20 0 CCADLP Cc1c[nH+]ccc1CC[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC000634709085 372153629 /nfs/dbraw/zinc/15/36/29/372153629.db2.gz CXEPACPSHWTNQI-HNNXBMFYSA-N 2 2 294.395 0.815 20 0 CCADLP C[C@@H](NC(=O)C1([NH3+])CCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000237494636 189878722 /nfs/dbraw/zinc/87/87/22/189878722.db2.gz VXGUOJXWGHFGQL-OLZOCXBDSA-N 2 2 283.416 0.873 20 0 CCADLP C[N@@H+]1CCN(c2nc3ccccc3n3c[nH+]cc23)[C@@H](CO)C1 ZINC000634802707 372244337 /nfs/dbraw/zinc/24/43/37/372244337.db2.gz PYEPHBNBQNYGOH-GFCCVEGCSA-N 2 2 297.362 0.995 20 0 CCADLP C[N@H+]1CCN(c2nc3ccccc3n3c[nH+]cc23)[C@@H](CO)C1 ZINC000634802707 372244343 /nfs/dbraw/zinc/24/43/43/372244343.db2.gz PYEPHBNBQNYGOH-GFCCVEGCSA-N 2 2 297.362 0.995 20 0 CCADLP Nc1nc(-n2cccn2)cc(N2CCC[C@@H]([NH3+])C2)[nH+]1 ZINC000634807523 372247526 /nfs/dbraw/zinc/24/75/26/372247526.db2.gz QNWVVXFONVEPMH-SECBINFHSA-N 2 2 259.317 0.002 20 0 CCADLP c1cn(-c2cc(N3CC[C@@H]4CC[NH2+][C@@H]4C3)ncn2)c[nH+]1 ZINC000634807762 372248204 /nfs/dbraw/zinc/24/82/04/372248204.db2.gz ABYQYLJYTGKARJ-NWDGAFQWSA-N 2 2 270.340 0.851 20 0 CCADLP O=C1CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)CCN1 ZINC000634960977 372313457 /nfs/dbraw/zinc/31/34/57/372313457.db2.gz HGFRGJNYQPECRF-STQMWFEESA-N 2 2 251.374 0.729 20 0 CCADLP O=C1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)CCN1 ZINC000634960977 372313463 /nfs/dbraw/zinc/31/34/63/372313463.db2.gz HGFRGJNYQPECRF-STQMWFEESA-N 2 2 251.374 0.729 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1ccc2nccnc2c1 ZINC000634961632 372313920 /nfs/dbraw/zinc/31/39/20/372313920.db2.gz ZGLFTRFBGOBMHG-AWEZNQCLSA-N 2 2 285.395 0.965 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1ccc2nccnc2c1 ZINC000634961632 372313924 /nfs/dbraw/zinc/31/39/24/372313924.db2.gz ZGLFTRFBGOBMHG-AWEZNQCLSA-N 2 2 285.395 0.965 20 0 CCADLP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1nnc(C2CCOCC2)[nH]1 ZINC000635006370 372339847 /nfs/dbraw/zinc/33/98/47/372339847.db2.gz REDSJLVLBDWPTD-NEPJUHHUSA-N 2 2 279.388 0.916 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H](n1cncn1)C(F)(F)F ZINC000635016464 372347173 /nfs/dbraw/zinc/34/71/73/372347173.db2.gz BTIWNEHTIMFXMN-OPRDCNLKSA-N 2 2 277.294 0.969 20 0 CCADLP CC(C)C[C@@H](C(=O)N1CC[NH+](CCO)CC1)n1cc[nH+]c1 ZINC000635248137 372427795 /nfs/dbraw/zinc/42/77/95/372427795.db2.gz HNLCUKWDGTUXHN-AWEZNQCLSA-N 2 2 294.399 0.607 20 0 CCADLP CCc1c[nH]c(CC(=O)NCCCC[NH+]2CCOCC2)[nH+]1 ZINC000635332984 372464762 /nfs/dbraw/zinc/46/47/62/372464762.db2.gz KBHYZNLTRSOJHF-UHFFFAOYSA-N 2 2 294.399 0.743 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@H]2CC[N@@H+](CC)C2)[nH+]1 ZINC000635401391 372490578 /nfs/dbraw/zinc/49/05/78/372490578.db2.gz KICDCKVUYDBNCO-LLVKDONJSA-N 2 2 264.373 0.973 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@H]2CC[N@H+](CC)C2)[nH+]1 ZINC000635401391 372490584 /nfs/dbraw/zinc/49/05/84/372490584.db2.gz KICDCKVUYDBNCO-LLVKDONJSA-N 2 2 264.373 0.973 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@H]2CC[NH+]2C2CCCC2)CCO1 ZINC000635464668 372533360 /nfs/dbraw/zinc/53/33/60/372533360.db2.gz IBYWAUHUOUCFFC-DZGCQCFKSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]2CC[NH+]2C2CCCC2)CCO1 ZINC000635464668 372533367 /nfs/dbraw/zinc/53/33/67/372533367.db2.gz IBYWAUHUOUCFFC-DZGCQCFKSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)[C@H]2CC[N@@H+]2C2CCCC2)CCO1 ZINC000635464668 372533374 /nfs/dbraw/zinc/53/33/74/372533374.db2.gz IBYWAUHUOUCFFC-DZGCQCFKSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)[C@H]2CC[N@H+]2C2CCCC2)CCO1 ZINC000635464668 372533378 /nfs/dbraw/zinc/53/33/78/372533378.db2.gz IBYWAUHUOUCFFC-DZGCQCFKSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000635527099 372590226 /nfs/dbraw/zinc/59/02/26/372590226.db2.gz FIFAHYQERDZEFE-MNOVXSKESA-N 2 2 273.340 0.965 20 0 CCADLP COCCOCC[N@H+](C)CCC(=O)Nc1cc[nH+]cc1C ZINC000635534022 372597792 /nfs/dbraw/zinc/59/77/92/372597792.db2.gz CNUULFQVBKQRTM-UHFFFAOYSA-N 2 2 295.383 0.735 20 0 CCADLP COCCOCC[N@@H+](C)CCC(=O)Nc1cc[nH+]cc1C ZINC000635534022 372597795 /nfs/dbraw/zinc/59/77/95/372597795.db2.gz CNUULFQVBKQRTM-UHFFFAOYSA-N 2 2 295.383 0.735 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@@H](C)CC[NH+](C)C)[nH+]1 ZINC000635558419 372626889 /nfs/dbraw/zinc/62/68/89/372626889.db2.gz KARPTIIKCAMQHS-JTQLQIEISA-N 2 2 252.362 0.971 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000333156504 205077577 /nfs/dbraw/zinc/07/75/77/205077577.db2.gz FVHLBVZJKZODQX-OLZOCXBDSA-N 2 2 298.431 0.394 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000333366404 205259053 /nfs/dbraw/zinc/25/90/53/205259053.db2.gz LVMDBPAHWJZTLD-XQQFMLRXSA-N 2 2 284.404 0.147 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000635819476 372953613 /nfs/dbraw/zinc/95/36/13/372953613.db2.gz CVSCLBRFIRIBNC-NEPJUHHUSA-N 2 2 262.357 0.798 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000635819476 372953618 /nfs/dbraw/zinc/95/36/18/372953618.db2.gz CVSCLBRFIRIBNC-NEPJUHHUSA-N 2 2 262.357 0.798 20 0 CCADLP C[NH+](C)CCn1nccc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635968102 373177046 /nfs/dbraw/zinc/17/70/46/373177046.db2.gz RMSSZSPALTVDLT-GHMZBOCLSA-N 2 2 288.355 0.910 20 0 CCADLP C[NH+](C)CCn1nccc1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635968102 373177051 /nfs/dbraw/zinc/17/70/51/373177051.db2.gz RMSSZSPALTVDLT-GHMZBOCLSA-N 2 2 288.355 0.910 20 0 CCADLP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000635986202 373208434 /nfs/dbraw/zinc/20/84/34/373208434.db2.gz MSHOXBBHXWKZRK-GFCCVEGCSA-N 2 2 292.383 0.282 20 0 CCADLP CCc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)n(C)n1 ZINC000636171990 373429554 /nfs/dbraw/zinc/42/95/54/373429554.db2.gz RYCFTLKKJFGNSI-UHFFFAOYSA-N 2 2 295.431 0.596 20 0 CCADLP CCc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)n(C)n1 ZINC000636171990 373429560 /nfs/dbraw/zinc/42/95/60/373429560.db2.gz RYCFTLKKJFGNSI-UHFFFAOYSA-N 2 2 295.431 0.596 20 0 CCADLP C[C@H](CNC(=O)[C@@H](C)[NH+](C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000636139298 373396103 /nfs/dbraw/zinc/39/61/03/373396103.db2.gz LXBVNHZQSKXCLG-FVCCEPFGSA-N 2 2 271.405 0.550 20 0 CCADLP C[C@H](CNC(=O)[C@@H](C)[NH+](C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000636139298 373396109 /nfs/dbraw/zinc/39/61/09/373396109.db2.gz LXBVNHZQSKXCLG-FVCCEPFGSA-N 2 2 271.405 0.550 20 0 CCADLP O=C(NCCCCn1cc[nH+]c1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000636622312 373677909 /nfs/dbraw/zinc/67/79/09/373677909.db2.gz PVSQDFSXKFGWBB-CYBMUJFWSA-N 2 2 295.387 0.029 20 0 CCADLP O=C(NCCCCn1cc[nH+]c1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000636622312 373677911 /nfs/dbraw/zinc/67/79/11/373677911.db2.gz PVSQDFSXKFGWBB-CYBMUJFWSA-N 2 2 295.387 0.029 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc2c(n1)CCC2 ZINC000656507989 412813639 /nfs/dbraw/zinc/81/36/39/412813639.db2.gz GRGVHENCKKNKFB-HNNXBMFYSA-N 2 2 263.385 0.973 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000574462058 335021815 /nfs/dbraw/zinc/02/18/15/335021815.db2.gz FLNSGVZQSGCSQG-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP COCC[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000574462058 335021816 /nfs/dbraw/zinc/02/18/16/335021816.db2.gz FLNSGVZQSGCSQG-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000637196388 373997324 /nfs/dbraw/zinc/99/73/24/373997324.db2.gz AANBMLAATNWWFP-VXGBXAGGSA-N 2 2 295.387 0.330 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000637196388 373997327 /nfs/dbraw/zinc/99/73/27/373997327.db2.gz AANBMLAATNWWFP-VXGBXAGGSA-N 2 2 295.387 0.330 20 0 CCADLP CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000637441920 374160852 /nfs/dbraw/zinc/16/08/52/374160852.db2.gz CARPCXUFPINTGO-UONOGXRCSA-N 2 2 298.431 0.489 20 0 CCADLP CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000637441920 374160858 /nfs/dbraw/zinc/16/08/58/374160858.db2.gz CARPCXUFPINTGO-UONOGXRCSA-N 2 2 298.431 0.489 20 0 CCADLP CC(C)C[C@@H](C(=O)N1CC[NH2+]CC1)n1cc[nH+]c1 ZINC000637800711 374328225 /nfs/dbraw/zinc/32/82/25/374328225.db2.gz HBVNKJPTQGIZTB-LBPRGKRZSA-N 2 2 250.346 0.902 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC1CC1 ZINC000656542562 412821451 /nfs/dbraw/zinc/82/14/51/412821451.db2.gz IXSADUIOGDWAOW-UHFFFAOYSA-N 2 2 256.394 0.579 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC1CC1 ZINC000656542562 412821453 /nfs/dbraw/zinc/82/14/53/412821453.db2.gz IXSADUIOGDWAOW-UHFFFAOYSA-N 2 2 256.394 0.579 20 0 CCADLP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)C1 ZINC000637821872 374359926 /nfs/dbraw/zinc/35/99/26/374359926.db2.gz DUDICFDELQJTPF-CHWSQXEVSA-N 2 2 276.384 0.964 20 0 CCADLP C[N@H+](CCO)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000637831668 374372762 /nfs/dbraw/zinc/37/27/62/374372762.db2.gz AHYYKWAMSGAZSJ-UHFFFAOYSA-N 2 2 294.395 0.822 20 0 CCADLP C[N@@H+](CCO)Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000637831668 374372767 /nfs/dbraw/zinc/37/27/67/374372767.db2.gz AHYYKWAMSGAZSJ-UHFFFAOYSA-N 2 2 294.395 0.822 20 0 CCADLP C[C@@H](C[NH3+])N(C)C(=O)[C@@H]([NH3+])CN(C)Cc1ccccc1 ZINC000637841749 374391654 /nfs/dbraw/zinc/39/16/54/374391654.db2.gz MJVTYBHTNBOXQM-JSGCOSHPSA-N 2 2 278.400 0.251 20 0 CCADLP C[NH+]1CCN(C[C@@H]2C[N@H+](CCC[C@H]3CCO3)CCO2)CC1 ZINC000638053114 374597565 /nfs/dbraw/zinc/59/75/65/374597565.db2.gz QOVPELHWGLUXIL-HOTGVXAUSA-N 2 2 297.443 0.504 20 0 CCADLP C[NH+]1CCN(C[C@@H]2C[N@@H+](CCC[C@H]3CCO3)CCO2)CC1 ZINC000638053114 374597569 /nfs/dbraw/zinc/59/75/69/374597569.db2.gz QOVPELHWGLUXIL-HOTGVXAUSA-N 2 2 297.443 0.504 20 0 CCADLP C[C@@H](CNC(=O)[C@]1(C)C[NH2+]CCO1)Cn1cc[nH+]c1 ZINC000638077207 374633258 /nfs/dbraw/zinc/63/32/58/374633258.db2.gz QRMRANDJKKOJFK-AAEUAGOBSA-N 2 2 266.345 0.014 20 0 CCADLP CC(=O)N1CC[NH+](CCNC(=O)[C@H]([NH3+])CCC(C)C)CC1 ZINC000638070913 374619814 /nfs/dbraw/zinc/61/98/14/374619814.db2.gz XOACPCHURGMVPR-CQSZACIVSA-N 2 2 298.431 0.030 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000638072817 374624597 /nfs/dbraw/zinc/62/45/97/374624597.db2.gz KISFYLSIEZLZOD-GFCCVEGCSA-N 2 2 294.399 0.934 20 0 CCADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000638090339 374650966 /nfs/dbraw/zinc/65/09/66/374650966.db2.gz IPEDVCQGVXWJCF-SWLSCSKDSA-N 2 2 292.383 0.883 20 0 CCADLP [NH3+]C[C@]1(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CCCOC1 ZINC000638091740 374652794 /nfs/dbraw/zinc/65/27/94/374652794.db2.gz XQLCMLBMPDUMBL-OAHLLOKOSA-N 2 2 292.383 0.871 20 0 CCADLP CC[NH2+][C@H](C)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000638101499 374666188 /nfs/dbraw/zinc/66/61/88/374666188.db2.gz DSIHELUZPFUEBF-GFCCVEGCSA-N 2 2 295.387 0.152 20 0 CCADLP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000638102510 374667634 /nfs/dbraw/zinc/66/76/34/374667634.db2.gz UXVCWCYVDOQMGJ-IHRRRGAJSA-N 2 2 285.432 0.975 20 0 CCADLP COc1cccc([C@@H]([NH3+])C(=O)NCc2[nH+]ccn2C)c1 ZINC000638101982 374668147 /nfs/dbraw/zinc/66/81/47/374668147.db2.gz FUOLHMXIYHJRHR-CYBMUJFWSA-N 2 2 274.324 0.745 20 0 CCADLP COC[C@]1(C(=O)NCc2[nH+]ccn2C)CCCC[NH2+]1 ZINC000638102040 374668211 /nfs/dbraw/zinc/66/82/11/374668211.db2.gz GZEFALZVAXGFLC-ZDUSSCGKSA-N 2 2 266.345 0.195 20 0 CCADLP Cn1cc(C[NH+]2CCN(C(=O)CCC3C[NH2+]C3)CC2)cn1 ZINC000638139400 374710075 /nfs/dbraw/zinc/71/00/75/374710075.db2.gz DHXHAGKHLOYDRP-UHFFFAOYSA-N 2 2 291.399 0.064 20 0 CCADLP C[C@H]([NH3+])CNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000638210258 374798800 /nfs/dbraw/zinc/79/88/00/374798800.db2.gz GXNFTASAWMRHCC-YUMQZZPRSA-N 2 2 264.251 0.840 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000638222955 374810032 /nfs/dbraw/zinc/81/00/32/374810032.db2.gz QFFOPLBWZVQIAG-GFCCVEGCSA-N 2 2 288.355 0.098 20 0 CCADLP COC[C@]1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC[NH2+]1 ZINC000638230009 374820286 /nfs/dbraw/zinc/82/02/86/374820286.db2.gz IDNQJLZOKMZCID-JTNHKYCSSA-N 2 2 278.356 0.398 20 0 CCADLP COC[C@]1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC[NH2+]1 ZINC000638230009 374820294 /nfs/dbraw/zinc/82/02/94/374820294.db2.gz IDNQJLZOKMZCID-JTNHKYCSSA-N 2 2 278.356 0.398 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[C@@H]3CC[NH2+][C@@H]3C1)CC2 ZINC000638200048 374782171 /nfs/dbraw/zinc/78/21/71/374782171.db2.gz XQBFUZFDZVBORB-BFHYXJOUSA-N 2 2 288.395 0.964 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000638270778 374872428 /nfs/dbraw/zinc/87/24/28/374872428.db2.gz IYMQOSQHDQPEDM-ZDUSSCGKSA-N 2 2 276.384 0.724 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H]1[C@H]3C[NH2+]C[C@H]31)CC2 ZINC000638244747 374836209 /nfs/dbraw/zinc/83/62/09/374836209.db2.gz KPMQVQBNGMCSDQ-DCQANWLSSA-N 2 2 260.341 0.088 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000638248329 374842110 /nfs/dbraw/zinc/84/21/10/374842110.db2.gz DZQCEYGBDKPYLZ-TXEJJXNPSA-N 2 2 262.357 0.719 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000638254577 374851686 /nfs/dbraw/zinc/85/16/86/374851686.db2.gz UJSIWWXTGNKHFG-GFCCVEGCSA-N 2 2 254.309 0.421 20 0 CCADLP Cc1cc(C[NH3+])cc(NC(=O)[C@H](C)N2CC[NH2+]CC2=O)c1 ZINC000638364873 374961544 /nfs/dbraw/zinc/96/15/44/374961544.db2.gz CSQXGFMPHGNPHY-NSHDSACASA-N 2 2 290.367 0.213 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC2 ZINC000638371842 374968152 /nfs/dbraw/zinc/96/81/52/374968152.db2.gz UARAIDQMAWUDMA-CKYFFXLPSA-N 2 2 264.373 0.996 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)CCC1C[NH2+]C1 ZINC000638303021 374907130 /nfs/dbraw/zinc/90/71/30/374907130.db2.gz ZBYMTMOYTOJCAP-UHFFFAOYSA-N 2 2 250.346 0.731 20 0 CCADLP Cn1ncnc1CNc1ccc(N2CC[NH+](C)CC2)c[nH+]1 ZINC000638397514 374992071 /nfs/dbraw/zinc/99/20/71/374992071.db2.gz GEKVFSBCKBLUTF-UHFFFAOYSA-N 2 2 287.371 0.574 20 0 CCADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H](C)c2[nH+]ccn2C)C1 ZINC000638432239 375032201 /nfs/dbraw/zinc/03/22/01/375032201.db2.gz YLRNCFKRASJRPE-KWBADKCTSA-N 2 2 266.345 0.364 20 0 CCADLP Nc1ncc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(N)n1 ZINC000638376350 374973160 /nfs/dbraw/zinc/97/31/60/374973160.db2.gz JONPCAMOCYBOCA-QWRGUYRKSA-N 2 2 262.361 0.018 20 0 CCADLP Nc1ncc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(N)n1 ZINC000638376350 374973165 /nfs/dbraw/zinc/97/31/65/374973165.db2.gz JONPCAMOCYBOCA-QWRGUYRKSA-N 2 2 262.361 0.018 20 0 CCADLP [NH3+][C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC000638441981 375044848 /nfs/dbraw/zinc/04/48/48/375044848.db2.gz MODLXVYENKSBNX-OXIWPEFWSA-N 2 2 260.341 0.853 20 0 CCADLP [NH3+][C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC000638441981 375044854 /nfs/dbraw/zinc/04/48/54/375044854.db2.gz MODLXVYENKSBNX-OXIWPEFWSA-N 2 2 260.341 0.853 20 0 CCADLP C[NH2+]CCOCCNC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000638574830 375151835 /nfs/dbraw/zinc/15/18/35/375151835.db2.gz ZQSBUCDDRVCAGF-UHFFFAOYSA-N 2 2 276.340 0.609 20 0 CCADLP COCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C[C@H]2CCCC(=O)N2)C1 ZINC000638638109 375242364 /nfs/dbraw/zinc/24/23/64/375242364.db2.gz ZOSAXRLDRWTSNA-MJBXVCDLSA-N 2 2 283.416 0.744 20 0 CCADLP COCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C[C@H]2CCCC(=O)N2)C1 ZINC000638638109 375242372 /nfs/dbraw/zinc/24/23/72/375242372.db2.gz ZOSAXRLDRWTSNA-MJBXVCDLSA-N 2 2 283.416 0.744 20 0 CCADLP C[C@H](C(=O)NC[C@H]1COCC[N@@H+]1C)[C@H]([NH3+])c1ccccc1 ZINC000638611652 375192604 /nfs/dbraw/zinc/19/26/04/375192604.db2.gz OZRQXFONWNZQHV-QEJZJMRPSA-N 2 2 291.395 0.769 20 0 CCADLP C[C@H](C(=O)NC[C@H]1COCC[N@H+]1C)[C@H]([NH3+])c1ccccc1 ZINC000638611652 375192611 /nfs/dbraw/zinc/19/26/11/375192611.db2.gz OZRQXFONWNZQHV-QEJZJMRPSA-N 2 2 291.395 0.769 20 0 CCADLP C[C@@H](CC(=O)N(C)CCOCC[NH3+])n1cc[nH+]c1 ZINC000638673207 375276588 /nfs/dbraw/zinc/27/65/88/375276588.db2.gz PKORRXIJSYFGFM-NSHDSACASA-N 2 2 254.334 0.268 20 0 CCADLP CO[C@H](C[NH2+]C[C@@H](C)C[NH+]1CCOCC1)C1CC1 ZINC000638674826 375279234 /nfs/dbraw/zinc/27/92/34/375279234.db2.gz NYGDJTORZATRAC-TZMCWYRMSA-N 2 2 256.390 0.969 20 0 CCADLP [NH3+]CCCC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000638732762 375326612 /nfs/dbraw/zinc/32/66/12/375326612.db2.gz YTIMHIAPPKWMOR-CQSZACIVSA-N 2 2 292.383 0.138 20 0 CCADLP [NH3+]CCCC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000638732762 375326617 /nfs/dbraw/zinc/32/66/17/375326617.db2.gz YTIMHIAPPKWMOR-CQSZACIVSA-N 2 2 292.383 0.138 20 0 CCADLP CSC1(CNC(=O)Cc2c[nH+]cn2C)CC[NH+](C)CC1 ZINC000568694877 291615194 /nfs/dbraw/zinc/61/51/94/291615194.db2.gz ZXYLIIUGYWKYOM-UHFFFAOYSA-N 2 2 296.440 0.906 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000638764290 375342373 /nfs/dbraw/zinc/34/23/73/375342373.db2.gz AOWJZUNNBSPHLM-KOLSJAJHSA-N 2 2 269.295 0.831 20 0 CCADLP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c[nH+]c(N)nc1N ZINC000638925856 375462280 /nfs/dbraw/zinc/46/22/80/375462280.db2.gz XNZDLEIIZZPJKC-VXGBXAGGSA-N 2 2 276.388 0.360 20 0 CCADLP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1c[nH+]c(N)nc1N ZINC000638925856 375462285 /nfs/dbraw/zinc/46/22/85/375462285.db2.gz XNZDLEIIZZPJKC-VXGBXAGGSA-N 2 2 276.388 0.360 20 0 CCADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cc[nH]n1 ZINC000638987155 375500684 /nfs/dbraw/zinc/50/06/84/375500684.db2.gz ANJYEPOHGFVPIX-UHFFFAOYSA-N 2 2 272.312 0.467 20 0 CCADLP CC[C@@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000638990759 375503441 /nfs/dbraw/zinc/50/34/41/375503441.db2.gz OQNBOWGWYKEVRW-GFCCVEGCSA-N 2 2 294.424 0.988 20 0 CCADLP C[C@@H]([NH3+])CCC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639005238 375514210 /nfs/dbraw/zinc/51/42/10/375514210.db2.gz USNBLEDEOWADER-CYBMUJFWSA-N 2 2 291.399 0.291 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639022596 375527487 /nfs/dbraw/zinc/52/74/87/375527487.db2.gz JWKYYNCOORNAMG-QWHCGFSZSA-N 2 2 262.357 0.874 20 0 CCADLP CC(C)(C[NH2+][C@H]1CCn2cc[nH+]c2C1)N1CCOCC1 ZINC000639071876 375559469 /nfs/dbraw/zinc/55/94/69/375559469.db2.gz PXYPWXAGAKVXGV-ZDUSSCGKSA-N 2 2 278.400 0.898 20 0 CCADLP C[N@H+](Cc1cnc(N)nc1N)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000639180339 375622727 /nfs/dbraw/zinc/62/27/27/375622727.db2.gz XUKFLYGZJVVDNZ-SNVBAGLBSA-N 2 2 287.371 0.193 20 0 CCADLP CO[C@H](C[NH2+]C[C@H]1CCC[N@@H+]1CCCO)C1CC1 ZINC000639217101 375637832 /nfs/dbraw/zinc/63/78/32/375637832.db2.gz FNRYVNVWSVGPGX-ZIAGYGMSSA-N 2 2 256.390 0.848 20 0 CCADLP CO[C@H](C[NH2+]C[C@H]1CCC[N@H+]1CCCO)C1CC1 ZINC000639217101 375637838 /nfs/dbraw/zinc/63/78/38/375637838.db2.gz FNRYVNVWSVGPGX-ZIAGYGMSSA-N 2 2 256.390 0.848 20 0 CCADLP CCC[C@@H](C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1)OC ZINC000639291376 375702619 /nfs/dbraw/zinc/70/26/19/375702619.db2.gz YBVRQISWHVHQRV-ZDUSSCGKSA-N 2 2 271.405 0.507 20 0 CCADLP CCC[C@@H](C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1)OC ZINC000639291376 375702634 /nfs/dbraw/zinc/70/26/34/375702634.db2.gz YBVRQISWHVHQRV-ZDUSSCGKSA-N 2 2 271.405 0.507 20 0 CCADLP C[C@]12C[NH+](Cc3cccc4[nH+]ccn43)C[C@]1(C)C(=O)NC2=O ZINC000639367627 375763685 /nfs/dbraw/zinc/76/36/85/375763685.db2.gz KYSVLUYEPOBKCQ-HZPDHXFCSA-N 2 2 298.346 0.819 20 0 CCADLP CNS(=O)(=O)CCC[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000639381199 375770636 /nfs/dbraw/zinc/77/06/36/375770636.db2.gz RUNVLLSXUSFKBK-UHFFFAOYSA-N 2 2 285.413 0.852 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000639563868 375839432 /nfs/dbraw/zinc/83/94/32/375839432.db2.gz CBOVRPLNJUNZSO-NEPJUHHUSA-N 2 2 272.356 0.988 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCOC[C@@]12CCOC2 ZINC000639624935 375870265 /nfs/dbraw/zinc/87/02/65/375870265.db2.gz LYTIIHLJTLWYRZ-ZDUSSCGKSA-N 2 2 251.330 0.454 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCOC[C@@]12CCOC2 ZINC000639624935 375870273 /nfs/dbraw/zinc/87/02/73/375870273.db2.gz LYTIIHLJTLWYRZ-ZDUSSCGKSA-N 2 2 251.330 0.454 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCN(CC(F)(F)CO)CC1 ZINC000639737144 375963158 /nfs/dbraw/zinc/96/31/58/375963158.db2.gz LDAKRRKWGBECAO-UHFFFAOYSA-N 2 2 288.342 0.437 20 0 CCADLP Cc1nccc(C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)n1 ZINC000639765152 375993174 /nfs/dbraw/zinc/99/31/74/375993174.db2.gz HRMKKAVWUIICTM-CQSZACIVSA-N 2 2 264.373 0.674 20 0 CCADLP Cc1nccc(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)n1 ZINC000639765152 375993176 /nfs/dbraw/zinc/99/31/76/375993176.db2.gz HRMKKAVWUIICTM-CQSZACIVSA-N 2 2 264.373 0.674 20 0 CCADLP Cn1c[nH+]c(CN2CCC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000639769535 376001343 /nfs/dbraw/zinc/00/13/43/376001343.db2.gz ZCONHJFZYSASSB-CYBMUJFWSA-N 2 2 252.362 0.309 20 0 CCADLP C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639763019 375989912 /nfs/dbraw/zinc/98/99/12/375989912.db2.gz BTPHBKGZJHGSOC-ZBFHGGJFSA-N 2 2 297.443 0.776 20 0 CCADLP C[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639763019 375989914 /nfs/dbraw/zinc/98/99/14/375989914.db2.gz BTPHBKGZJHGSOC-ZBFHGGJFSA-N 2 2 297.443 0.776 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261997941 190047121 /nfs/dbraw/zinc/04/71/21/190047121.db2.gz POZUQPGRMHXWLF-CQSZACIVSA-N 2 2 285.351 0.841 20 0 CCADLP C[NH2+][C@@H](C(=O)NCc1cn2ccccc2[nH+]1)c1cnn(C)c1 ZINC000262378239 190054223 /nfs/dbraw/zinc/05/42/23/190054223.db2.gz MQLSFCNZNTYTBK-CQSZACIVSA-N 2 2 298.350 0.645 20 0 CCADLP C[C@H]1C[C@@H](C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000640051577 376216773 /nfs/dbraw/zinc/21/67/73/376216773.db2.gz QXLVKXXVZSQCMM-KBPBESRZSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000262879626 190064223 /nfs/dbraw/zinc/06/42/23/190064223.db2.gz VTZTYHBEAGGCIC-WCQYABFASA-N 2 2 285.351 0.995 20 0 CCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C[NH3+])cc2)CC1 ZINC000262650701 190059924 /nfs/dbraw/zinc/05/99/24/190059924.db2.gz QVBJSAWWXWQMGU-UHFFFAOYSA-N 2 2 276.384 0.721 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)CCn1cc[nH+]c1 ZINC000264022287 190089422 /nfs/dbraw/zinc/08/94/22/190089422.db2.gz WYBRFCFNIIQPQB-UHFFFAOYSA-N 2 2 280.372 0.500 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)CCn1cc[nH+]c1 ZINC000264022287 190089423 /nfs/dbraw/zinc/08/94/23/190089423.db2.gz WYBRFCFNIIQPQB-UHFFFAOYSA-N 2 2 280.372 0.500 20 0 CCADLP Cn1ccnc1CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000264071234 190090973 /nfs/dbraw/zinc/09/09/73/190090973.db2.gz BXRBOAYSLUYHSR-UHFFFAOYSA-N 2 2 295.387 0.330 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000264071234 190090974 /nfs/dbraw/zinc/09/09/74/190090974.db2.gz BXRBOAYSLUYHSR-UHFFFAOYSA-N 2 2 295.387 0.330 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000264071234 190090975 /nfs/dbraw/zinc/09/09/75/190090975.db2.gz BXRBOAYSLUYHSR-UHFFFAOYSA-N 2 2 295.387 0.330 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000264134923 190092691 /nfs/dbraw/zinc/09/26/91/190092691.db2.gz IISSTNQVBJCVGV-RYUDHWBXSA-N 2 2 277.372 0.846 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000264134923 190092692 /nfs/dbraw/zinc/09/26/92/190092692.db2.gz IISSTNQVBJCVGV-RYUDHWBXSA-N 2 2 277.372 0.846 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)CC2 ZINC000640923905 376618630 /nfs/dbraw/zinc/61/86/30/376618630.db2.gz SYKNYNTTZYFXAS-CMPLNLGQSA-N 2 2 277.372 0.715 20 0 CCADLP Cn1c[nH+]cc1Cn1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000641038507 376700092 /nfs/dbraw/zinc/70/00/92/376700092.db2.gz PWRMTQKQKGSPOF-LLVKDONJSA-N 2 2 260.345 0.602 20 0 CCADLP C[C@@H]1C[N@@H+](CCCNc2cc(CO)cc[nH+]2)C[C@H](C)O1 ZINC000641273903 376958391 /nfs/dbraw/zinc/95/83/91/376958391.db2.gz ASALNLJKJPFGMH-BETUJISGSA-N 2 2 279.384 0.907 20 0 CCADLP C[C@@H]1C[N@H+](CCCNc2cc(CO)cc[nH+]2)C[C@H](C)O1 ZINC000641273903 376958399 /nfs/dbraw/zinc/95/83/99/376958399.db2.gz ASALNLJKJPFGMH-BETUJISGSA-N 2 2 279.384 0.907 20 0 CCADLP O=S(=O)(CCn1cc[nH+]c1)N1CC[NH+](CC2CC2)CC1 ZINC000641287923 376967846 /nfs/dbraw/zinc/96/78/46/376967846.db2.gz UKFJZHJPEZRFKD-UHFFFAOYSA-N 2 2 298.412 0.241 20 0 CCADLP C[C@H]1C[C@H](NS(=O)(=O)CCn2cc[nH+]c2)C[N@@H+]1C1CC1 ZINC000641375393 377047937 /nfs/dbraw/zinc/04/79/37/377047937.db2.gz FZGIMIFXOHZWTR-RYUDHWBXSA-N 2 2 298.412 0.428 20 0 CCADLP C[C@H]1C[C@H](NS(=O)(=O)CCn2cc[nH+]c2)C[N@H+]1C1CC1 ZINC000641375393 377047939 /nfs/dbraw/zinc/04/79/39/377047939.db2.gz FZGIMIFXOHZWTR-RYUDHWBXSA-N 2 2 298.412 0.428 20 0 CCADLP C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC000641415278 377091219 /nfs/dbraw/zinc/09/12/19/377091219.db2.gz PWAKWSUHTDMQEK-QWHCGFSZSA-N 2 2 298.412 0.239 20 0 CCADLP C[N@H+]1CC[C@H]2CCN(S(=O)(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC000641415278 377091223 /nfs/dbraw/zinc/09/12/23/377091223.db2.gz PWAKWSUHTDMQEK-QWHCGFSZSA-N 2 2 298.412 0.239 20 0 CCADLP c1cc(NC[C@@H]2CSCC[NH2+]2)nc(C2CC2)[nH+]1 ZINC000641686982 377388601 /nfs/dbraw/zinc/38/86/01/377388601.db2.gz GKHMGQKWKJAWKU-SNVBAGLBSA-N 2 2 250.371 0.893 20 0 CCADLP COc1cc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)on1 ZINC000641797339 377465438 /nfs/dbraw/zinc/46/54/38/377465438.db2.gz AOMKDWVKLMZTEZ-LLVKDONJSA-N 2 2 266.345 0.163 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000641801635 377471872 /nfs/dbraw/zinc/47/18/72/377471872.db2.gz DAOCPKWOMKBGKP-XQLPTFJDSA-N 3 2 277.412 0.633 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCN2C(=O)NC(C)(C)C2=O)[C@@H]1C ZINC000641805067 377477239 /nfs/dbraw/zinc/47/72/39/377477239.db2.gz DOZVIDAGQSEEHS-IJLUTSLNSA-N 2 2 296.415 0.765 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCN2C(=O)NC(C)(C)C2=O)[C@@H]1C ZINC000641805067 377477246 /nfs/dbraw/zinc/47/72/46/377477246.db2.gz DOZVIDAGQSEEHS-IJLUTSLNSA-N 2 2 296.415 0.765 20 0 CCADLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1cc(=O)n2ccsc2n1 ZINC000641805997 377478231 /nfs/dbraw/zinc/47/82/31/377478231.db2.gz PRRVCCYUVUAAPY-UWVGGRQHSA-N 2 2 278.381 0.971 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCS(=O)(=O)N(C)C)[C@@H]1C ZINC000641807492 377480580 /nfs/dbraw/zinc/48/05/80/377480580.db2.gz UWNQTNOWYKGYHO-UTUOFQBUSA-N 2 2 277.434 0.326 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCS(=O)(=O)N(C)C)[C@@H]1C ZINC000641807492 377480591 /nfs/dbraw/zinc/48/05/91/377480591.db2.gz UWNQTNOWYKGYHO-UTUOFQBUSA-N 2 2 277.434 0.326 20 0 CCADLP Cc1c[nH+]c(C)nc1NCC[NH+]1CCC(O)CC1 ZINC000514950807 249114315 /nfs/dbraw/zinc/11/43/15/249114315.db2.gz KILPDQMFLCSOJY-UHFFFAOYSA-N 2 2 250.346 0.384 20 0 CCADLP C[C@H](CNC(=O)CC[NH2+]C1CC1)Cn1cc[nH+]c1 ZINC000514873299 249109809 /nfs/dbraw/zinc/10/98/09/249109809.db2.gz OYRCQMRXQMDBHF-LLVKDONJSA-N 2 2 250.346 0.778 20 0 CCADLP Oc1cccnc1C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000516347187 249162119 /nfs/dbraw/zinc/16/21/19/249162119.db2.gz OOANILGRUADSQL-UHFFFAOYSA-N 2 2 273.340 0.828 20 0 CCADLP CCOCC[C@H](O)C[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000515415126 249133895 /nfs/dbraw/zinc/13/38/95/249133895.db2.gz QGWAASXKTOWRAT-KGLIPLIRSA-N 2 2 274.405 0.332 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]CCCNc1cccc[nH+]1)C1CC1 ZINC000516454766 249164777 /nfs/dbraw/zinc/16/47/77/249164777.db2.gz VMBGMYPKBUXYMW-AWEZNQCLSA-N 3 2 278.400 0.928 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]CCCNc1cccc[nH+]1)C1CC1 ZINC000516454766 249164778 /nfs/dbraw/zinc/16/47/78/249164778.db2.gz VMBGMYPKBUXYMW-AWEZNQCLSA-N 3 2 278.400 0.928 20 0 CCADLP C[C@H]1CN(c2cc[nH+]c(N3CCOCC3)n2)[C@@H](C)C[NH2+]1 ZINC000515622858 249139856 /nfs/dbraw/zinc/13/98/56/249139856.db2.gz KOWBHVBXSXPEON-RYUDHWBXSA-N 2 2 277.372 0.500 20 0 CCADLP C[C@@H](CC(=O)NC[C@]1(O)CC[N@H+](C)C1)n1cc[nH+]c1 ZINC000516574954 249172032 /nfs/dbraw/zinc/17/20/32/249172032.db2.gz WPVMYQRINRZMPX-WCQYABFASA-N 2 2 266.345 0.017 20 0 CCADLP C[C@@H](CC(=O)NC[C@]1(O)CC[N@@H+](C)C1)n1cc[nH+]c1 ZINC000516574954 249172035 /nfs/dbraw/zinc/17/20/35/249172035.db2.gz WPVMYQRINRZMPX-WCQYABFASA-N 2 2 266.345 0.017 20 0 CCADLP Cc1cc(NC[C@H](O)C[NH+]2CCOCC2)nc(C2CC2)[nH+]1 ZINC000265373331 190177964 /nfs/dbraw/zinc/17/79/64/190177964.db2.gz PBBYSFMAOINASI-ZDUSSCGKSA-N 2 2 292.383 0.767 20 0 CCADLP CC[C@H](C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)OC ZINC000642698818 377608344 /nfs/dbraw/zinc/60/83/44/377608344.db2.gz TUMDGUCISBADAE-KGLIPLIRSA-N 2 2 283.416 0.826 20 0 CCADLP CC[C@H](C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1)OC ZINC000642698818 377608351 /nfs/dbraw/zinc/60/83/51/377608351.db2.gz TUMDGUCISBADAE-KGLIPLIRSA-N 2 2 283.416 0.826 20 0 CCADLP Cc1nc(N2CC[C@H]3CC[NH2+][C@@H]3C2)nc(N(C)C)[nH+]1 ZINC000643031144 377697055 /nfs/dbraw/zinc/69/70/55/377697055.db2.gz HWVDHFLSLWNEIF-GHMZBOCLSA-N 2 2 262.361 0.434 20 0 CCADLP C[C@H]([NH3+])CNc1cc(N2CCSCC2)[nH+]cn1 ZINC000643036024 377700427 /nfs/dbraw/zinc/70/04/27/377700427.db2.gz FYNLKFQHJVGSGQ-VIFPVBQESA-N 2 2 253.375 0.789 20 0 CCADLP C[C@@H]([NH3+])CNc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000643035773 377701047 /nfs/dbraw/zinc/70/10/47/377701047.db2.gz ZVQGQSBLKMIRTD-MNOVXSKESA-N 2 2 265.361 0.587 20 0 CCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)CCCF ZINC000657071858 412883306 /nfs/dbraw/zinc/88/33/06/412883306.db2.gz WIBHXCWTXVCSLU-LBPRGKRZSA-N 2 2 297.440 0.537 20 0 CCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)CCCF ZINC000657071858 412883307 /nfs/dbraw/zinc/88/33/07/412883307.db2.gz WIBHXCWTXVCSLU-LBPRGKRZSA-N 2 2 297.440 0.537 20 0 CCADLP Cc1cn2cc(NC(=O)[C@H]3C[N@H+](C)CCO3)ccc2[nH+]1 ZINC000266844008 190284384 /nfs/dbraw/zinc/28/43/84/190284384.db2.gz PIVIBWHAFIUDID-GFCCVEGCSA-N 2 2 274.324 0.912 20 0 CCADLP Cc1cn2cc(NC(=O)[C@H]3C[N@@H+](C)CCO3)ccc2[nH+]1 ZINC000266844008 190284385 /nfs/dbraw/zinc/28/43/85/190284385.db2.gz PIVIBWHAFIUDID-GFCCVEGCSA-N 2 2 274.324 0.912 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](Cc2cccc(C(N)=O)c2)CC1 ZINC000266894485 190287879 /nfs/dbraw/zinc/28/78/79/190287879.db2.gz DWBVTRPPMMFVHG-UHFFFAOYSA-N 2 2 299.378 0.841 20 0 CCADLP CN(C)c1cc(NC(=O)[C@H]2C[N@H+](C)CCO2)cc[nH+]1 ZINC000267194975 190310627 /nfs/dbraw/zinc/31/06/27/190310627.db2.gz CXIKFCRHKPRHRW-LLVKDONJSA-N 2 2 264.329 0.417 20 0 CCADLP CN(C)c1cc(NC(=O)[C@H]2C[N@@H+](C)CCO2)cc[nH+]1 ZINC000267194975 190310628 /nfs/dbraw/zinc/31/06/28/190310628.db2.gz CXIKFCRHKPRHRW-LLVKDONJSA-N 2 2 264.329 0.417 20 0 CCADLP COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267458861 190331907 /nfs/dbraw/zinc/33/19/07/190331907.db2.gz UITACRDZTFBRDG-GHMZBOCLSA-N 2 2 294.355 0.267 20 0 CCADLP COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267458861 190331908 /nfs/dbraw/zinc/33/19/08/190331908.db2.gz UITACRDZTFBRDG-GHMZBOCLSA-N 2 2 294.355 0.267 20 0 CCADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)CCn1cc[nH+]c1 ZINC000267996343 190368000 /nfs/dbraw/zinc/36/80/00/190368000.db2.gz RDTKLMZMSBYSQB-ZDUSSCGKSA-N 2 2 282.388 0.746 20 0 CCADLP Cc1ccc(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)c(C)[nH+]1 ZINC000268013892 190369576 /nfs/dbraw/zinc/36/95/76/190369576.db2.gz GBMMHUJJBNOEKR-JTQLQIEISA-N 2 2 278.356 0.703 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCCCF)C[C@@H](C)O1 ZINC000574750768 335044298 /nfs/dbraw/zinc/04/42/98/335044298.db2.gz CDWOKKRTQLXQKE-JHJVBQTASA-N 2 2 262.369 0.796 20 0 CCADLP O=C1NCCC[C@H]1[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000334768746 207043492 /nfs/dbraw/zinc/04/34/92/207043492.db2.gz AMBDHGJMGBPPJN-CHWSQXEVSA-N 2 2 251.374 0.683 20 0 CCADLP O=C1NCCC[C@H]1[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000334768746 207043495 /nfs/dbraw/zinc/04/34/95/207043495.db2.gz AMBDHGJMGBPPJN-CHWSQXEVSA-N 2 2 251.374 0.683 20 0 CCADLP OC1CC[NH+](CCC[NH2+]Cc2cn(C3CCC3)nn2)CC1 ZINC000657327878 412961460 /nfs/dbraw/zinc/96/14/60/412961460.db2.gz YVNZZUNXXPGWGK-UHFFFAOYSA-N 2 2 293.415 0.940 20 0 CCADLP CS(=O)(=O)N1CCC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657334673 412962584 /nfs/dbraw/zinc/96/25/84/412962584.db2.gz BKUYBSONCQSXNY-NSHDSACASA-N 2 2 298.412 0.343 20 0 CCADLP CCCN(CC[NH+](C)C)C(=O)[C@@H]([NH3+])c1cscn1 ZINC000571213757 291799335 /nfs/dbraw/zinc/79/93/35/291799335.db2.gz MVVFUYWNXBYDDO-NSHDSACASA-N 2 2 270.402 0.943 20 0 CCADLP C[NH2+][C@H](C)CNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000418621135 532984994 /nfs/dbraw/zinc/98/49/94/532984994.db2.gz SIDDXLIKXCXQHQ-YPMHNXCESA-N 2 2 278.356 0.852 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C[N@@H+]1C1CC1 ZINC000246943709 285037946 /nfs/dbraw/zinc/03/79/46/285037946.db2.gz NHLIOSDNQLRYEH-NTZNESFSSA-N 2 2 267.373 0.058 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C[N@H+]1C1CC1 ZINC000246943709 285037948 /nfs/dbraw/zinc/03/79/48/285037948.db2.gz NHLIOSDNQLRYEH-NTZNESFSSA-N 2 2 267.373 0.058 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C[NH+]1C1CC1 ZINC000246943709 285037950 /nfs/dbraw/zinc/03/79/50/285037950.db2.gz NHLIOSDNQLRYEH-NTZNESFSSA-N 2 2 267.373 0.058 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C[NH+]1C1CC1 ZINC000246943709 285037951 /nfs/dbraw/zinc/03/79/51/285037951.db2.gz NHLIOSDNQLRYEH-NTZNESFSSA-N 2 2 267.373 0.058 20 0 CCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000335242748 208008856 /nfs/dbraw/zinc/00/88/56/208008856.db2.gz UZANVXFFFSJAKL-PWSUYJOCSA-N 2 2 254.378 0.459 20 0 CCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000335242748 208008861 /nfs/dbraw/zinc/00/88/61/208008861.db2.gz UZANVXFFFSJAKL-PWSUYJOCSA-N 2 2 254.378 0.459 20 0 CCADLP CC[C@@H]1C[C@H]([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)CO1 ZINC000657362780 412975893 /nfs/dbraw/zinc/97/58/93/412975893.db2.gz IAYVFVUOAWGTOC-OWCLPIDISA-N 2 2 297.443 0.550 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(CC[NH+]2CCO[C@@H](C)C2)[C@H](C)C1 ZINC000249294108 285109279 /nfs/dbraw/zinc/10/92/79/285109279.db2.gz QQKTUIYYQWUQSY-ILXRZTDVSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@H](O)C[NH+]1CCN(CC[N@@H+]2CCO[C@@H](C)C2)[C@H](C)C1 ZINC000249294108 285109280 /nfs/dbraw/zinc/10/92/80/285109280.db2.gz QQKTUIYYQWUQSY-ILXRZTDVSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@H](O)C[NH+]1CCN(CC[N@H+]2CCO[C@@H](C)C2)[C@H](C)C1 ZINC000249294108 285109282 /nfs/dbraw/zinc/10/92/82/285109282.db2.gz QQKTUIYYQWUQSY-ILXRZTDVSA-N 2 2 285.432 0.094 20 0 CCADLP Cn1ncc(C2CC2)c1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000657437580 412988234 /nfs/dbraw/zinc/98/82/34/412988234.db2.gz VLFDCFBBZGVUPL-AWEZNQCLSA-N 2 2 264.373 0.454 20 0 CCADLP Cn1ncc(C2CC2)c1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000657437580 412988240 /nfs/dbraw/zinc/98/82/40/412988240.db2.gz VLFDCFBBZGVUPL-AWEZNQCLSA-N 2 2 264.373 0.454 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](CCO)[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000249496099 285120126 /nfs/dbraw/zinc/12/01/26/285120126.db2.gz GUWDUEMBVPEMSY-GJZGRUSLSA-N 2 2 297.443 0.776 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000249496099 285120127 /nfs/dbraw/zinc/12/01/27/285120127.db2.gz GUWDUEMBVPEMSY-GJZGRUSLSA-N 2 2 297.443 0.776 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(Cc2[nH+]ccn2C)[C@@H](C)C1 ZINC000249511288 285121046 /nfs/dbraw/zinc/12/10/46/285121046.db2.gz NIWGDFZMEXLYFU-RYUDHWBXSA-N 2 2 252.362 0.307 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(Cc2[nH+]ccn2C)[C@@H](C)C1 ZINC000249511288 285121048 /nfs/dbraw/zinc/12/10/48/285121048.db2.gz NIWGDFZMEXLYFU-RYUDHWBXSA-N 2 2 252.362 0.307 20 0 CCADLP C[C@H]1C[NH2+]CCN1c1cc(N2CCOCC2)[nH+]cn1 ZINC000258618017 285152363 /nfs/dbraw/zinc/15/23/63/285152363.db2.gz CSDALQRVHBBBME-NSHDSACASA-N 2 2 263.345 0.111 20 0 CCADLP CC(C)C[C@H]1C(=O)NCC[N@H+]1CCc1c[nH+]cn1C ZINC000289017126 197214811 /nfs/dbraw/zinc/21/48/11/197214811.db2.gz AJXAMAAZLSTSHH-ZDUSSCGKSA-N 2 2 264.373 0.809 20 0 CCADLP CC(C)C[C@H]1C(=O)NCC[N@@H+]1CCc1c[nH+]cn1C ZINC000289017126 197214812 /nfs/dbraw/zinc/21/48/12/197214812.db2.gz AJXAMAAZLSTSHH-ZDUSSCGKSA-N 2 2 264.373 0.809 20 0 CCADLP CC(C)C[C@@H]1C(=O)NCC[N@H+]1CCc1c[nH+]cn1C ZINC000289017122 197214341 /nfs/dbraw/zinc/21/43/41/197214341.db2.gz AJXAMAAZLSTSHH-CYBMUJFWSA-N 2 2 264.373 0.809 20 0 CCADLP CC(C)C[C@@H]1C(=O)NCC[N@@H+]1CCc1c[nH+]cn1C ZINC000289017122 197214342 /nfs/dbraw/zinc/21/43/42/197214342.db2.gz AJXAMAAZLSTSHH-CYBMUJFWSA-N 2 2 264.373 0.809 20 0 CCADLP COc1cc2[nH+]c(NCC[NH+](C)C)nc(N)c2cc1OC ZINC000358461386 533143653 /nfs/dbraw/zinc/14/36/53/533143653.db2.gz FMDARPGOKOVDGP-UHFFFAOYSA-N 2 2 291.355 0.455 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](O)CC(C)(C)C2)CC1 ZINC000395354964 285224801 /nfs/dbraw/zinc/22/48/01/285224801.db2.gz HASKKEDGABHBRT-ZDUSSCGKSA-N 2 2 283.416 0.243 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](O)CC(C)(C)C2)CC1 ZINC000395354964 285224805 /nfs/dbraw/zinc/22/48/05/285224805.db2.gz HASKKEDGABHBRT-ZDUSSCGKSA-N 2 2 283.416 0.243 20 0 CCADLP C[N@H+](CC(=O)NC(=O)NCc1cccs1)C1CC([NH3+])C1 ZINC000420327007 285241962 /nfs/dbraw/zinc/24/19/62/285241962.db2.gz GCTAQGCXZBSPCN-UHFFFAOYSA-N 2 2 296.396 0.495 20 0 CCADLP C[N@@H+](CC(=O)NC(=O)NCc1cccs1)C1CC([NH3+])C1 ZINC000420327007 285241964 /nfs/dbraw/zinc/24/19/64/285241964.db2.gz GCTAQGCXZBSPCN-UHFFFAOYSA-N 2 2 296.396 0.495 20 0 CCADLP [NH3+][C@H](C(=O)NCCC[C@@H]1CCC[NH2+]1)c1cscn1 ZINC000521861891 285290892 /nfs/dbraw/zinc/29/08/92/285290892.db2.gz YHVXAEZBEWMHRB-ONGXEEELSA-N 2 2 268.386 0.791 20 0 CCADLP C[C@@H]1C[N@H+](CCNc2cc[nH+]c(N(C)C)n2)CCO1 ZINC000525365150 285317056 /nfs/dbraw/zinc/31/70/56/285317056.db2.gz MZKUHYCGZNFWOM-LLVKDONJSA-N 2 2 265.361 0.097 20 0 CCADLP C[C@@H]1C[N@@H+](CCNc2cc[nH+]c(N(C)C)n2)CCO1 ZINC000525365150 285317059 /nfs/dbraw/zinc/31/70/59/285317059.db2.gz MZKUHYCGZNFWOM-LLVKDONJSA-N 2 2 265.361 0.097 20 0 CCADLP CC[N@H+](C)CCNC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000171200454 335059112 /nfs/dbraw/zinc/05/91/12/335059112.db2.gz MIWHEVCPVYDRBW-UHFFFAOYSA-N 2 2 286.420 0.348 20 0 CCADLP CC[N@@H+](C)CCNC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000171200454 335059114 /nfs/dbraw/zinc/05/91/14/335059114.db2.gz MIWHEVCPVYDRBW-UHFFFAOYSA-N 2 2 286.420 0.348 20 0 CCADLP CC[NH+](C)CCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000171200454 335059115 /nfs/dbraw/zinc/05/91/15/335059115.db2.gz MIWHEVCPVYDRBW-UHFFFAOYSA-N 2 2 286.420 0.348 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000575054245 335059661 /nfs/dbraw/zinc/05/96/61/335059661.db2.gz WVPKRDAUXGHWMV-CMPLNLGQSA-N 3 2 264.373 0.312 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000575054245 335059662 /nfs/dbraw/zinc/05/96/62/335059662.db2.gz WVPKRDAUXGHWMV-CMPLNLGQSA-N 3 2 264.373 0.312 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000575054245 335059663 /nfs/dbraw/zinc/05/96/63/335059663.db2.gz WVPKRDAUXGHWMV-CMPLNLGQSA-N 3 2 264.373 0.312 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000575054245 335059665 /nfs/dbraw/zinc/05/96/65/335059665.db2.gz WVPKRDAUXGHWMV-CMPLNLGQSA-N 3 2 264.373 0.312 20 0 CCADLP [NH3+]CCC[NH+]1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000019688209 388793752 /nfs/dbraw/zinc/79/37/52/388793752.db2.gz YLBKRCQTAHEYTD-UHFFFAOYSA-N 2 2 282.432 0.402 20 0 CCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000286015923 388825501 /nfs/dbraw/zinc/82/55/01/388825501.db2.gz JOZKQYVECCZGDA-QWHCGFSZSA-N 2 2 276.384 0.882 20 0 CCADLP CCc1nc(NCCC[N@@H+]2CCNC(=O)C2)cc(C)[nH+]1 ZINC000286077717 388832898 /nfs/dbraw/zinc/83/28/98/388832898.db2.gz CQRNSKUESLLQAT-UHFFFAOYSA-N 2 2 277.372 0.581 20 0 CCADLP CCc1nc(NCCC[N@H+]2CCNC(=O)C2)cc(C)[nH+]1 ZINC000286077717 388832901 /nfs/dbraw/zinc/83/29/01/388832901.db2.gz CQRNSKUESLLQAT-UHFFFAOYSA-N 2 2 277.372 0.581 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000040487202 388853100 /nfs/dbraw/zinc/85/31/00/388853100.db2.gz GMVQQBGVVRMQEG-UTUOFQBUSA-N 2 2 257.378 0.197 20 0 CCADLP C[C@H](CNC(=O)NCc1c[nH+]cn1C)C[NH+]1CCCC1 ZINC000290596829 388907985 /nfs/dbraw/zinc/90/79/85/388907985.db2.gz AILLFNQIKNMVHW-GFCCVEGCSA-N 2 2 279.388 0.951 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(CCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000189573004 388964259 /nfs/dbraw/zinc/96/42/59/388964259.db2.gz ACLNHWFOXOAWNC-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(CCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000189573004 388964260 /nfs/dbraw/zinc/96/42/60/388964260.db2.gz ACLNHWFOXOAWNC-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000291826560 388938937 /nfs/dbraw/zinc/93/89/37/388938937.db2.gz FNYKJLKYYUGGON-AWEZNQCLSA-N 2 2 277.372 0.657 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000291826560 388938940 /nfs/dbraw/zinc/93/89/40/388938940.db2.gz FNYKJLKYYUGGON-AWEZNQCLSA-N 2 2 277.372 0.657 20 0 CCADLP [NH3+]CC(F)(F)CNC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000190245450 388985851 /nfs/dbraw/zinc/98/58/51/388985851.db2.gz BRASIDABVSKLKY-LLVKDONJSA-N 2 2 269.295 0.584 20 0 CCADLP CCOCCNC(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000084695940 389005128 /nfs/dbraw/zinc/00/51/28/389005128.db2.gz VABXIQAYIPQGOZ-ZIAGYGMSSA-N 2 2 285.432 0.801 20 0 CCADLP CCOCCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000084695940 389005130 /nfs/dbraw/zinc/00/51/30/389005130.db2.gz VABXIQAYIPQGOZ-ZIAGYGMSSA-N 2 2 285.432 0.801 20 0 CCADLP CCOCCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000084695940 389005133 /nfs/dbraw/zinc/00/51/33/389005133.db2.gz VABXIQAYIPQGOZ-ZIAGYGMSSA-N 2 2 285.432 0.801 20 0 CCADLP CCOCCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000084695940 389005135 /nfs/dbraw/zinc/00/51/35/389005135.db2.gz VABXIQAYIPQGOZ-ZIAGYGMSSA-N 2 2 285.432 0.801 20 0 CCADLP C[C@H](O)CNc1cc(NC2CC[NH+](C)CC2)nc[nH+]1 ZINC000298391415 389016037 /nfs/dbraw/zinc/01/60/37/389016037.db2.gz VHXPGNQNNTUHQB-JTQLQIEISA-N 2 2 265.361 0.775 20 0 CCADLP C[C@H](O)CNc1cc(NC2CC[NH+](C)CC2)[nH+]cn1 ZINC000298391415 389016042 /nfs/dbraw/zinc/01/60/42/389016042.db2.gz VHXPGNQNNTUHQB-JTQLQIEISA-N 2 2 265.361 0.775 20 0 CCADLP C([C@H]1CCC[N@@H+]([C@H]2CCOC2)C1)[NH+]1CCOCC1 ZINC000336732344 389016770 /nfs/dbraw/zinc/01/67/70/389016770.db2.gz SBWWNRSITPEMJF-KGLIPLIRSA-N 2 2 254.374 0.820 20 0 CCADLP C([C@H]1CCC[N@H+]([C@H]2CCOC2)C1)[NH+]1CCOCC1 ZINC000336732344 389016771 /nfs/dbraw/zinc/01/67/71/389016771.db2.gz SBWWNRSITPEMJF-KGLIPLIRSA-N 2 2 254.374 0.820 20 0 CCADLP C[N@@H+](CC(=O)NC1CCCCCC1)C[C@@H](O)C[NH3+] ZINC000336795097 389019015 /nfs/dbraw/zinc/01/90/15/389019015.db2.gz HVMRRFDKMXWEDY-LBPRGKRZSA-N 2 2 257.378 0.077 20 0 CCADLP C[N@H+](CC(=O)NC1CCCCCC1)C[C@@H](O)C[NH3+] ZINC000336795097 389019017 /nfs/dbraw/zinc/01/90/17/389019017.db2.gz HVMRRFDKMXWEDY-LBPRGKRZSA-N 2 2 257.378 0.077 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)C1CCOCC1 ZINC000354331426 389020374 /nfs/dbraw/zinc/02/03/74/389020374.db2.gz QWBZCASLCOIOFN-GXTWGEPZSA-N 2 2 255.406 0.637 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)C1CCOCC1 ZINC000354331426 389020378 /nfs/dbraw/zinc/02/03/78/389020378.db2.gz QWBZCASLCOIOFN-GXTWGEPZSA-N 2 2 255.406 0.637 20 0 CCADLP C[C@@H]1CN(C[C@H](O)C[N@H+]2CC[C@@H](C[NH+](C)C)C2)C[C@H](C)O1 ZINC000355307757 389057577 /nfs/dbraw/zinc/05/75/77/389057577.db2.gz AVUKILTYDLNKMY-XUWVNRHRSA-N 2 2 299.459 0.340 20 0 CCADLP CC(C)c1nc(N2CCC([NH3+])(CO)CC2)nc(N(C)C)[nH+]1 ZINC000301895241 389060746 /nfs/dbraw/zinc/06/07/46/389060746.db2.gz BIFWCVYUSSEORF-UHFFFAOYSA-N 2 2 294.403 0.351 20 0 CCADLP CC(C)c1nc(N(C)C)nc(N2CCC([NH3+])(CO)CC2)[nH+]1 ZINC000301895241 389060747 /nfs/dbraw/zinc/06/07/47/389060747.db2.gz BIFWCVYUSSEORF-UHFFFAOYSA-N 2 2 294.403 0.351 20 0 CCADLP CCOCC[NH+]1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000302235957 389066400 /nfs/dbraw/zinc/06/64/00/389066400.db2.gz VJURKCXMLJUUDV-UHFFFAOYSA-N 2 2 278.356 0.339 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CC1 ZINC000355379133 389068695 /nfs/dbraw/zinc/06/86/95/389068695.db2.gz FXUFQLHLRMFZHK-IACUBPJLSA-N 2 2 281.400 0.164 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000305759333 389087983 /nfs/dbraw/zinc/08/79/83/389087983.db2.gz CTDMLRXSZHAFGE-QWHCGFSZSA-N 2 2 292.445 0.102 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000338213039 389091521 /nfs/dbraw/zinc/09/15/21/389091521.db2.gz KNABWUQMASVHBJ-YNEHKIRRSA-N 2 2 289.445 0.340 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000338213039 389091523 /nfs/dbraw/zinc/09/15/23/389091523.db2.gz KNABWUQMASVHBJ-YNEHKIRRSA-N 2 2 289.445 0.340 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C2CCC(C(N)=O)CC2)C1 ZINC000358175659 389143846 /nfs/dbraw/zinc/14/38/46/389143846.db2.gz MKMQSYVEEIVEEZ-YWPUVAFDSA-N 2 2 253.390 0.960 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C2CCC(C(N)=O)CC2)C1 ZINC000358175659 389143847 /nfs/dbraw/zinc/14/38/47/389143847.db2.gz MKMQSYVEEIVEEZ-YWPUVAFDSA-N 2 2 253.390 0.960 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000358254374 389145847 /nfs/dbraw/zinc/14/58/47/389145847.db2.gz PKIGRNMEHBUWEP-MRXNPFEDSA-N 3 2 290.411 0.707 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000358254374 389145851 /nfs/dbraw/zinc/14/58/51/389145851.db2.gz PKIGRNMEHBUWEP-MRXNPFEDSA-N 3 2 290.411 0.707 20 0 CCADLP Cc1nc(N2CCC(C[NH+](C)C)CC2)nc(N)[nH+]1 ZINC000310686139 389098013 /nfs/dbraw/zinc/09/80/13/389098013.db2.gz OWSYNALDDYCTSE-UHFFFAOYSA-N 2 2 250.350 0.540 20 0 CCADLP Cc1nc(N)nc(N2CCC(C[NH+](C)C)CC2)[nH+]1 ZINC000310686139 389098016 /nfs/dbraw/zinc/09/80/16/389098016.db2.gz OWSYNALDDYCTSE-UHFFFAOYSA-N 2 2 250.350 0.540 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](CO)c1ccccc1 ZINC000310815778 389098379 /nfs/dbraw/zinc/09/83/79/389098379.db2.gz AUVFQUUUFOAPBW-KGLIPLIRSA-N 2 2 252.358 0.622 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](CO)c1ccccc1 ZINC000310815778 389098381 /nfs/dbraw/zinc/09/83/81/389098381.db2.gz AUVFQUUUFOAPBW-KGLIPLIRSA-N 2 2 252.358 0.622 20 0 CCADLP Cc1nc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)nc(N)[nH+]1 ZINC000311969352 389106181 /nfs/dbraw/zinc/10/61/81/389106181.db2.gz JMXXTSBZVLCKLM-QWRGUYRKSA-N 2 2 262.361 0.683 20 0 CCADLP Cc1nc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)nc(N)[nH+]1 ZINC000311969352 389106182 /nfs/dbraw/zinc/10/61/82/389106182.db2.gz JMXXTSBZVLCKLM-QWRGUYRKSA-N 2 2 262.361 0.683 20 0 CCADLP Cc1nc(N)nc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)[nH+]1 ZINC000311969352 389106184 /nfs/dbraw/zinc/10/61/84/389106184.db2.gz JMXXTSBZVLCKLM-QWRGUYRKSA-N 2 2 262.361 0.683 20 0 CCADLP Cc1nc(N)nc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)[nH+]1 ZINC000311969352 389106185 /nfs/dbraw/zinc/10/61/85/389106185.db2.gz JMXXTSBZVLCKLM-QWRGUYRKSA-N 2 2 262.361 0.683 20 0 CCADLP C[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000226401517 389147941 /nfs/dbraw/zinc/14/79/41/389147941.db2.gz HCOWLBDGCHKIPY-JSGCOSHPSA-N 2 2 261.369 0.719 20 0 CCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000226401517 389147943 /nfs/dbraw/zinc/14/79/43/389147943.db2.gz HCOWLBDGCHKIPY-JSGCOSHPSA-N 2 2 261.369 0.719 20 0 CCADLP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313337576 389112537 /nfs/dbraw/zinc/11/25/37/389112537.db2.gz JGEQQFHREQKBPX-RYUDHWBXSA-N 2 2 271.405 0.729 20 0 CCADLP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313337576 389112539 /nfs/dbraw/zinc/11/25/39/389112539.db2.gz JGEQQFHREQKBPX-RYUDHWBXSA-N 2 2 271.405 0.729 20 0 CCADLP COC(=O)c1cc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)oc1C ZINC000313344040 389113125 /nfs/dbraw/zinc/11/31/25/389113125.db2.gz DQWTVEWYIJNHIF-LBPRGKRZSA-N 2 2 282.340 0.924 20 0 CCADLP COC(=O)c1cc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)oc1C ZINC000313344040 389113128 /nfs/dbraw/zinc/11/31/28/389113128.db2.gz DQWTVEWYIJNHIF-LBPRGKRZSA-N 2 2 282.340 0.924 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])N(CC[NH+]2CCOCC2)[C@@H]1C ZINC000316400994 389120081 /nfs/dbraw/zinc/12/00/81/389120081.db2.gz MFKFWAGBGDYKSL-MGPQQGTHSA-N 2 2 255.406 0.766 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])N(CC[NH+]2CCOCC2)[C@H]1C ZINC000316400992 389120227 /nfs/dbraw/zinc/12/02/27/389120227.db2.gz MFKFWAGBGDYKSL-HZSPNIEDSA-N 2 2 255.406 0.766 20 0 CCADLP [NH3+]CCOCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000357079000 389130915 /nfs/dbraw/zinc/13/09/15/389130915.db2.gz KVJXTGVLZADAEA-ZDUSSCGKSA-N 3 2 264.373 0.791 20 0 CCADLP [NH3+]CCOCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000357079000 389130920 /nfs/dbraw/zinc/13/09/20/389130920.db2.gz KVJXTGVLZADAEA-ZDUSSCGKSA-N 3 2 264.373 0.791 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+][C@H]2CCCN(S(C)(=O)=O)C2)[C@@H](C)C1 ZINC000358034621 389141871 /nfs/dbraw/zinc/14/18/71/389141871.db2.gz HLDYYADDBWLKCP-AVGNSLFASA-N 2 2 289.445 0.340 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+][C@H]2CCCN(S(C)(=O)=O)C2)[C@@H](C)C1 ZINC000358034621 389141874 /nfs/dbraw/zinc/14/18/74/389141874.db2.gz HLDYYADDBWLKCP-AVGNSLFASA-N 2 2 289.445 0.340 20 0 CCADLP Cc1c[nH+]c(CNC[C@@H]2C[N@H+](C)CCN2C)n1C ZINC000341004751 389179966 /nfs/dbraw/zinc/17/99/66/389179966.db2.gz CIBHUYLVPGZZKY-GFCCVEGCSA-N 2 2 251.378 0.064 20 0 CCADLP Cc1c[nH+]c(CNC[C@@H]2C[N@@H+](C)CCN2C)n1C ZINC000341004751 389179968 /nfs/dbraw/zinc/17/99/68/389179968.db2.gz CIBHUYLVPGZZKY-GFCCVEGCSA-N 2 2 251.378 0.064 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000237084011 389181824 /nfs/dbraw/zinc/18/18/24/389181824.db2.gz LNKQVEXBRHUZCJ-OAHLLOKOSA-N 3 2 282.432 0.128 20 0 CCADLP C[C@H]1C[C@H](C)CN(C(=O)C[NH2+]CC2([NH3+])CCC2)C1 ZINC000342150144 389198296 /nfs/dbraw/zinc/19/82/96/389198296.db2.gz WYNJVWCHEIOWJH-RYUDHWBXSA-N 2 2 253.390 0.962 20 0 CCADLP C[C@@H](C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)CS(C)(=O)=O ZINC000360559599 389199699 /nfs/dbraw/zinc/19/96/99/389199699.db2.gz CDOZKQWHSQENGB-NWDGAFQWSA-N 2 2 260.403 0.353 20 0 CCADLP C[C@@H](C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)CS(C)(=O)=O ZINC000360559599 389199701 /nfs/dbraw/zinc/19/97/01/389199701.db2.gz CDOZKQWHSQENGB-NWDGAFQWSA-N 2 2 260.403 0.353 20 0 CCADLP O=C(C[C@H]1COCC[NH2+]1)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000130203198 389201251 /nfs/dbraw/zinc/20/12/51/389201251.db2.gz BIQNDIZVHHGUQM-LBPRGKRZSA-N 2 2 287.323 0.584 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000329403466 389162009 /nfs/dbraw/zinc/16/20/09/389162009.db2.gz WSWSOIKOBOBBQH-CHWSQXEVSA-N 2 2 292.383 0.664 20 0 CCADLP CN1CC[C@H]([N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000247554575 389241039 /nfs/dbraw/zinc/24/10/39/389241039.db2.gz SYWGOHDBNKZRBY-KBPBESRZSA-N 2 2 281.400 0.261 20 0 CCADLP CN1CC[C@H]([N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000247554575 389241044 /nfs/dbraw/zinc/24/10/44/389241044.db2.gz SYWGOHDBNKZRBY-KBPBESRZSA-N 2 2 281.400 0.261 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000342702825 389244573 /nfs/dbraw/zinc/24/45/73/389244573.db2.gz ZRZWANOPKRGKDB-AVGNSLFASA-N 2 2 269.389 0.211 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000342702825 389244576 /nfs/dbraw/zinc/24/45/76/389244576.db2.gz ZRZWANOPKRGKDB-AVGNSLFASA-N 2 2 269.389 0.211 20 0 CCADLP COC(=O)CC[C@H]([NH3+])C(=O)NCc1ccc[nH+]c1N(C)C ZINC000342724842 389249222 /nfs/dbraw/zinc/24/92/22/389249222.db2.gz IFHPQXQIULPALW-NSHDSACASA-N 2 2 294.355 0.044 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[NH2+]CC2(F)F)C[C@H](C)[NH2+]1 ZINC000342756121 389251991 /nfs/dbraw/zinc/25/19/91/389251991.db2.gz USVRDJAQPULOPO-AEJSXWLSSA-N 2 2 261.316 0.440 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1CC(C)(C)O ZINC000330782024 389254197 /nfs/dbraw/zinc/25/41/97/389254197.db2.gz OZMMWBWKKVGFNU-GFCCVEGCSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1CC(C)(C)O ZINC000330782024 389254200 /nfs/dbraw/zinc/25/42/00/389254200.db2.gz OZMMWBWKKVGFNU-GFCCVEGCSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1CC(C)(C)O ZINC000330782024 389254204 /nfs/dbraw/zinc/25/42/04/389254204.db2.gz OZMMWBWKKVGFNU-GFCCVEGCSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1CC(C)(C)O ZINC000330782024 389254207 /nfs/dbraw/zinc/25/42/07/389254207.db2.gz OZMMWBWKKVGFNU-GFCCVEGCSA-N 2 2 294.399 0.646 20 0 CCADLP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1nccn1C ZINC000330890182 389255465 /nfs/dbraw/zinc/25/54/65/389255465.db2.gz VULLXIFONINRLC-YPMHNXCESA-N 2 2 252.362 0.527 20 0 CCADLP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1nccn1C ZINC000330890182 389255468 /nfs/dbraw/zinc/25/54/68/389255468.db2.gz VULLXIFONINRLC-YPMHNXCESA-N 2 2 252.362 0.527 20 0 CCADLP Cn1nncc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000135854349 389262601 /nfs/dbraw/zinc/26/26/01/389262601.db2.gz DIECAUQYHPUNIY-UHFFFAOYSA-N 2 2 272.356 0.969 20 0 CCADLP C[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(C)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000329901629 389209808 /nfs/dbraw/zinc/20/98/08/389209808.db2.gz OSVKLASPHGTHFW-GRYCIOLGSA-N 2 2 276.340 0.523 20 0 CCADLP C[C@@H]1CC[N@H+]([C@H]2CC(=O)N(C)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000329901629 389209810 /nfs/dbraw/zinc/20/98/10/389209810.db2.gz OSVKLASPHGTHFW-GRYCIOLGSA-N 2 2 276.340 0.523 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CCCO3)C2)CC1 ZINC000362710291 389240216 /nfs/dbraw/zinc/24/02/16/389240216.db2.gz JAHRVGXOAALDKR-GXTWGEPZSA-N 2 2 281.400 0.450 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CCCO3)C2)CC1 ZINC000362710291 389240219 /nfs/dbraw/zinc/24/02/19/389240219.db2.gz JAHRVGXOAALDKR-GXTWGEPZSA-N 2 2 281.400 0.450 20 0 CCADLP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000346989613 389343267 /nfs/dbraw/zinc/34/32/67/389343267.db2.gz RYVDIXMGNBWYAU-STQMWFEESA-N 2 2 267.373 0.012 20 0 CCADLP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000346989613 389343271 /nfs/dbraw/zinc/34/32/71/389343271.db2.gz RYVDIXMGNBWYAU-STQMWFEESA-N 2 2 267.373 0.012 20 0 CCADLP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](C2CC2)C1 ZINC000346989613 389343276 /nfs/dbraw/zinc/34/32/76/389343276.db2.gz RYVDIXMGNBWYAU-STQMWFEESA-N 2 2 267.373 0.012 20 0 CCADLP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](C2CC2)C1 ZINC000346989613 389343278 /nfs/dbraw/zinc/34/32/78/389343278.db2.gz RYVDIXMGNBWYAU-STQMWFEESA-N 2 2 267.373 0.012 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+](C)[C@H]2CCC[NH2+]CC2)C[C@@H](C)O1 ZINC000261660363 389273915 /nfs/dbraw/zinc/27/39/15/389273915.db2.gz ZTLYKXFCMUTQJT-MCIONIFRSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)[C@H]2CCC[NH2+]CC2)C[C@@H](C)O1 ZINC000261660363 389273919 /nfs/dbraw/zinc/27/39/19/389273919.db2.gz ZTLYKXFCMUTQJT-MCIONIFRSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H]1C[N@H+](CCC(=O)N(C)C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343926330 389275779 /nfs/dbraw/zinc/27/57/79/389275779.db2.gz PXBUALBQZXLWRZ-LSDHHAIUSA-N 2 2 296.459 0.423 20 0 CCADLP C[C@H]1C[N@@H+](CCC(=O)N(C)C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343926330 389275781 /nfs/dbraw/zinc/27/57/81/389275781.db2.gz PXBUALBQZXLWRZ-LSDHHAIUSA-N 2 2 296.459 0.423 20 0 CCADLP CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343971054 389276790 /nfs/dbraw/zinc/27/67/90/389276790.db2.gz FBYDFFGSJOSHRJ-RRFJBIMHSA-N 2 2 297.443 0.896 20 0 CCADLP CC[C@H](C(=O)OC)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343971054 389276796 /nfs/dbraw/zinc/27/67/96/389276796.db2.gz FBYDFFGSJOSHRJ-RRFJBIMHSA-N 2 2 297.443 0.896 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365401677 389279610 /nfs/dbraw/zinc/27/96/10/389279610.db2.gz GGSKUDCWWSKAQB-QWRGUYRKSA-N 2 2 270.377 0.247 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365401677 389279612 /nfs/dbraw/zinc/27/96/12/389279612.db2.gz GGSKUDCWWSKAQB-QWRGUYRKSA-N 2 2 270.377 0.247 20 0 CCADLP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000332774579 389369865 /nfs/dbraw/zinc/36/98/65/389369865.db2.gz XGRARDXTRLOEQU-QWHCGFSZSA-N 2 2 276.384 0.904 20 0 CCADLP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000332774579 389369867 /nfs/dbraw/zinc/36/98/67/389369867.db2.gz XGRARDXTRLOEQU-QWHCGFSZSA-N 2 2 276.384 0.904 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCO[C@H]3C[C@H]32)CC1 ZINC000368143425 389371119 /nfs/dbraw/zinc/37/11/19/389371119.db2.gz CXJVTNDELBEXAA-KGLIPLIRSA-N 2 2 296.415 0.195 20 0 CCADLP CN1C[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC000268792519 389391523 /nfs/dbraw/zinc/39/15/23/389391523.db2.gz APAHSIQUONTENX-CYBMUJFWSA-N 2 2 274.368 0.871 20 0 CCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000422033939 389392831 /nfs/dbraw/zinc/39/28/31/389392831.db2.gz IGGXJAHJVLUSHV-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000422033939 389392833 /nfs/dbraw/zinc/39/28/33/389392833.db2.gz IGGXJAHJVLUSHV-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP C[C@@H]1CN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C[C@H](C)[N@H+]1C ZINC000333048784 389403415 /nfs/dbraw/zinc/40/34/15/389403415.db2.gz BQWWUXCJWBNQDC-FRRDWIJNSA-N 2 2 291.399 0.932 20 0 CCADLP C[C@@H]1CN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C[C@H](C)[N@@H+]1C ZINC000333048784 389403420 /nfs/dbraw/zinc/40/34/20/389403420.db2.gz BQWWUXCJWBNQDC-FRRDWIJNSA-N 2 2 291.399 0.932 20 0 CCADLP O=C(NCc1cn2ccccc2[nH+]1)[C@H]1CCC[NH2+]C1 ZINC000269230842 389409012 /nfs/dbraw/zinc/40/90/12/389409012.db2.gz IDLIPFVXBSWRON-NSHDSACASA-N 2 2 258.325 0.950 20 0 CCADLP C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O)[C@@H]1CCC[NH2+]1 ZINC000333308898 389409334 /nfs/dbraw/zinc/40/93/34/389409334.db2.gz RKCWBVUJLDTLRL-FPMFFAJLSA-N 2 2 291.399 0.646 20 0 CCADLP O=C(C[C@@H]1C[NH2+]CCO1)NCCCCNc1cccc[nH+]1 ZINC000269248864 389410896 /nfs/dbraw/zinc/41/08/96/389410896.db2.gz NWRMITYZUVFUMX-CYBMUJFWSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1ccn2cc(CNC(=O)[C@@H]3CC[NH2+]C3)[nH+]c2c1 ZINC000269257717 389411119 /nfs/dbraw/zinc/41/11/19/389411119.db2.gz ULIQLCBYEXLAJB-LLVKDONJSA-N 2 2 258.325 0.868 20 0 CCADLP C[N@H+](CCCN1CC[NH+](C)CC1)CCn1cc[nH+]c1 ZINC000161997240 389413732 /nfs/dbraw/zinc/41/37/32/389413732.db2.gz KESRBUSTEKBONO-UHFFFAOYSA-N 3 2 265.405 0.452 20 0 CCADLP C[N@@H+](CCCN1CC[NH+](C)CC1)CCn1cc[nH+]c1 ZINC000161997240 389413734 /nfs/dbraw/zinc/41/37/34/389413734.db2.gz KESRBUSTEKBONO-UHFFFAOYSA-N 3 2 265.405 0.452 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158821004 389352159 /nfs/dbraw/zinc/35/21/59/389352159.db2.gz RJQJHAFZWOTGDM-ZIAGYGMSSA-N 2 2 283.416 0.555 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158821004 389352161 /nfs/dbraw/zinc/35/21/61/389352161.db2.gz RJQJHAFZWOTGDM-ZIAGYGMSSA-N 2 2 283.416 0.555 20 0 CCADLP CCOCCNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158821004 389352165 /nfs/dbraw/zinc/35/21/65/389352165.db2.gz RJQJHAFZWOTGDM-ZIAGYGMSSA-N 2 2 283.416 0.555 20 0 CCADLP CCOCCNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158821004 389352169 /nfs/dbraw/zinc/35/21/69/389352169.db2.gz RJQJHAFZWOTGDM-ZIAGYGMSSA-N 2 2 283.416 0.555 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000332557612 389355205 /nfs/dbraw/zinc/35/52/05/389355205.db2.gz MEOIXTUSCURVLB-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP C[N@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000332557612 389355207 /nfs/dbraw/zinc/35/52/07/389355207.db2.gz MEOIXTUSCURVLB-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+]1CCC[C@@H]1CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000332557612 389355213 /nfs/dbraw/zinc/35/52/13/389355213.db2.gz MEOIXTUSCURVLB-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+]1CCC[C@@H]1CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000332557612 389355216 /nfs/dbraw/zinc/35/52/16/389355216.db2.gz MEOIXTUSCURVLB-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000347722909 389356295 /nfs/dbraw/zinc/35/62/95/389356295.db2.gz PAKDUWLMXWEEGM-SMDDNHRTSA-N 2 2 297.424 0.416 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000347722909 389356298 /nfs/dbraw/zinc/35/62/98/389356298.db2.gz PAKDUWLMXWEEGM-SMDDNHRTSA-N 2 2 297.424 0.416 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000367849408 389364498 /nfs/dbraw/zinc/36/44/98/389364498.db2.gz MHWIATDFKXDLPT-AWEZNQCLSA-N 2 2 269.389 0.167 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000367849408 389364501 /nfs/dbraw/zinc/36/45/01/389364501.db2.gz MHWIATDFKXDLPT-AWEZNQCLSA-N 2 2 269.389 0.167 20 0 CCADLP CCOCCNC(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000367849408 389364504 /nfs/dbraw/zinc/36/45/04/389364504.db2.gz MHWIATDFKXDLPT-AWEZNQCLSA-N 2 2 269.389 0.167 20 0 CCADLP CCOCCNC(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000367849408 389364507 /nfs/dbraw/zinc/36/45/07/389364507.db2.gz MHWIATDFKXDLPT-AWEZNQCLSA-N 2 2 269.389 0.167 20 0 CCADLP O=C(N[C@@H]1CC[NH2+]C1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000422749063 389466855 /nfs/dbraw/zinc/46/68/55/389466855.db2.gz XJTIRPRKJCIUHS-DGCLKSJQSA-N 2 2 267.373 0.108 20 0 CCADLP O=C(N[C@@H]1CC[NH2+]C1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000422749063 389466857 /nfs/dbraw/zinc/46/68/57/389466857.db2.gz XJTIRPRKJCIUHS-DGCLKSJQSA-N 2 2 267.373 0.108 20 0 CCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)C[NH+](C)[C@@H]1CCSC1 ZINC000334514937 389493895 /nfs/dbraw/zinc/49/38/95/389493895.db2.gz MJOJWAIGSCVODC-VXGBXAGGSA-N 2 2 271.430 0.586 20 0 CCADLP C[C@@H]1C[NH+](C)CCN1C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000334514937 389493899 /nfs/dbraw/zinc/49/38/99/389493899.db2.gz MJOJWAIGSCVODC-VXGBXAGGSA-N 2 2 271.430 0.586 20 0 CCADLP C[C@@H]1C[NH+](C)CCN1C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000334514937 389493902 /nfs/dbraw/zinc/49/39/02/389493902.db2.gz MJOJWAIGSCVODC-VXGBXAGGSA-N 2 2 271.430 0.586 20 0 CCADLP CC(C)[C@H](O)CC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422776566 389472455 /nfs/dbraw/zinc/47/24/55/389472455.db2.gz CZSWGZOLRKZBTG-MGPQQGTHSA-N 2 2 256.390 0.750 20 0 CCADLP Cn1cc[nH+]c1CNc1ccn(C2CC[NH+](C)CC2)n1 ZINC000373304285 389472537 /nfs/dbraw/zinc/47/25/37/389472537.db2.gz BJRMNFSEPSYZFH-UHFFFAOYSA-N 2 2 274.372 0.917 20 0 CCADLP CC[NH2+]CCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000422778907 389473734 /nfs/dbraw/zinc/47/37/34/389473734.db2.gz FGQDBQKCJWLHCH-CYBMUJFWSA-N 2 2 269.389 0.213 20 0 CCADLP CC[NH2+]CCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000422778907 389473737 /nfs/dbraw/zinc/47/37/37/389473737.db2.gz FGQDBQKCJWLHCH-CYBMUJFWSA-N 2 2 269.389 0.213 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CCCOCC2)CC1 ZINC000373329118 389474163 /nfs/dbraw/zinc/47/41/63/389474163.db2.gz UUNSAFJODJNKPH-CQSZACIVSA-N 2 2 297.443 0.945 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCC1([NH+](C)C)CCCC1 ZINC000422785244 389474647 /nfs/dbraw/zinc/47/46/47/389474647.db2.gz NBXCBXKEEHBZJD-QWHCGFSZSA-N 2 2 283.416 0.744 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1NCCC[NH+]1CCC(C)CC1 ZINC000422783632 389474930 /nfs/dbraw/zinc/47/49/30/389474930.db2.gz NEDZAHCJXMDOAW-CABCVRRESA-N 2 2 297.443 0.992 20 0 CCADLP O=C(NC[C@H]1CCC[NH2+]1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000422786855 389475623 /nfs/dbraw/zinc/47/56/23/389475623.db2.gz PDFPYGIDDCACBF-KGLIPLIRSA-N 2 2 281.400 0.356 20 0 CCADLP O=C(NC[C@H]1CCC[NH2+]1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000422786855 389475626 /nfs/dbraw/zinc/47/56/26/389475626.db2.gz PDFPYGIDDCACBF-KGLIPLIRSA-N 2 2 281.400 0.356 20 0 CCADLP CC(C)(C[NH3+])NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000422797630 389476917 /nfs/dbraw/zinc/47/69/17/389476917.db2.gz NRMXUMCBAQYNEZ-UHFFFAOYSA-N 2 2 259.313 0.734 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000422806469 389479168 /nfs/dbraw/zinc/47/91/68/389479168.db2.gz KWZAYZYQJVSSOS-UONOGXRCSA-N 2 2 283.416 0.555 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000422806469 389479173 /nfs/dbraw/zinc/47/91/73/389479173.db2.gz KWZAYZYQJVSSOS-UONOGXRCSA-N 2 2 283.416 0.555 20 0 CCADLP O=C(NCC[C@H]1CC[NH2+]C1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000422813298 389480490 /nfs/dbraw/zinc/48/04/90/389480490.db2.gz ZIIKKTXJDCNTKX-GFCCVEGCSA-N 2 2 285.351 0.997 20 0 CCADLP C[NH2+]C1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000422833139 389486170 /nfs/dbraw/zinc/48/61/70/389486170.db2.gz YOQLHUGIOIXXQX-OAHLLOKOSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH2+]C1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000422833139 389486174 /nfs/dbraw/zinc/48/61/74/389486174.db2.gz YOQLHUGIOIXXQX-OAHLLOKOSA-N 2 2 295.427 0.698 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)n(C)n1 ZINC000422633867 389447730 /nfs/dbraw/zinc/44/77/30/389447730.db2.gz IXLBPKVGBNXFCZ-DRZSPHRISA-N 2 2 293.415 0.972 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)n(C)n1 ZINC000422633867 389447731 /nfs/dbraw/zinc/44/77/31/389447731.db2.gz IXLBPKVGBNXFCZ-DRZSPHRISA-N 2 2 293.415 0.972 20 0 CCADLP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CCC[NH2+]CC1 ZINC000422718313 389458751 /nfs/dbraw/zinc/45/87/51/389458751.db2.gz WYAIPMKNZLLCBC-CQSZACIVSA-N 2 2 281.400 0.452 20 0 CCADLP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CCC[NH2+]CC1 ZINC000422718313 389458754 /nfs/dbraw/zinc/45/87/54/389458754.db2.gz WYAIPMKNZLLCBC-CQSZACIVSA-N 2 2 281.400 0.452 20 0 CCADLP CCNC(=O)C(C)(C)C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000422969377 389511097 /nfs/dbraw/zinc/51/10/97/389511097.db2.gz UHKHKPMTJQJNNM-NEPJUHHUSA-N 2 2 271.405 0.505 20 0 CCADLP O=C(NCc1cn2c([nH+]1)CCCC2)[C@H]1C[C@H](F)C[NH2+]1 ZINC000275539697 389511431 /nfs/dbraw/zinc/51/14/31/389511431.db2.gz PQZACOFAYAGVHR-GXSJLCMTSA-N 2 2 266.320 0.536 20 0 CCADLP CCS(=O)(=O)NCC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000173953010 389513671 /nfs/dbraw/zinc/51/36/71/389513671.db2.gz TWDYINPCJYPWAU-CYBMUJFWSA-N 2 2 291.461 0.732 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000173953010 389513673 /nfs/dbraw/zinc/51/36/73/389513673.db2.gz TWDYINPCJYPWAU-CYBMUJFWSA-N 2 2 291.461 0.732 20 0 CCADLP CCS(=O)(=O)NCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000173953010 389513675 /nfs/dbraw/zinc/51/36/75/389513675.db2.gz TWDYINPCJYPWAU-CYBMUJFWSA-N 2 2 291.461 0.732 20 0 CCADLP CCS(=O)(=O)NCC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000173953010 389513676 /nfs/dbraw/zinc/51/36/76/389513676.db2.gz TWDYINPCJYPWAU-CYBMUJFWSA-N 2 2 291.461 0.732 20 0 CCADLP CCc1nc(N2CC[N@H+](C)C[C@H](C(=O)OC)C2)cc(C)[nH+]1 ZINC000413492856 389520690 /nfs/dbraw/zinc/52/06/90/389520690.db2.gz DSPOAMGEPUDJIZ-LBPRGKRZSA-N 2 2 292.383 0.888 20 0 CCADLP CCc1nc(N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)cc(C)[nH+]1 ZINC000413492856 389520696 /nfs/dbraw/zinc/52/06/96/389520696.db2.gz DSPOAMGEPUDJIZ-LBPRGKRZSA-N 2 2 292.383 0.888 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000423006894 389521677 /nfs/dbraw/zinc/52/16/77/389521677.db2.gz WTDRAOAWYFHLRZ-RBSFLKMASA-N 2 2 297.443 0.990 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@H]1CCC[N@H+]1CC(C)C ZINC000423006894 389521680 /nfs/dbraw/zinc/52/16/80/389521680.db2.gz WTDRAOAWYFHLRZ-RBSFLKMASA-N 2 2 297.443 0.990 20 0 CCADLP C([NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)[C@H]1CN(C2CC2)CCO1 ZINC000423023387 389524440 /nfs/dbraw/zinc/52/44/40/389524440.db2.gz HGZAVATUBPSTBB-HRCADAONSA-N 2 2 295.427 0.206 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)CCc1c[nH+]cn1C ZINC000276666126 389525881 /nfs/dbraw/zinc/52/58/81/389525881.db2.gz YOMPQKPGBUYASR-LBPRGKRZSA-N 2 2 280.372 0.190 20 0 CCADLP FC(F)(F)OCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423069483 389528896 /nfs/dbraw/zinc/52/88/96/389528896.db2.gz LRAFZAFQZOMGEV-UWVGGRQHSA-N 2 2 268.279 0.879 20 0 CCADLP C1CC1[C@@H]([NH2+][C@H]1C[C@H]2OCCC[C@H]21)[C@@H]1C[NH2+]CCO1 ZINC000423063662 389529157 /nfs/dbraw/zinc/52/91/57/389529157.db2.gz XBRLWZIYTDXPOZ-SBJFKYEJSA-N 2 2 266.385 0.911 20 0 CCADLP CCOC1CC(O)(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000423082425 389531759 /nfs/dbraw/zinc/53/17/59/389531759.db2.gz FGFDLJCBGSISCW-GQKFXUNGSA-N 2 2 284.400 0.273 20 0 CCADLP CCNC(=O)C1(C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)CCC1 ZINC000423083857 389532021 /nfs/dbraw/zinc/53/20/21/389532021.db2.gz ZHHHKUJNFHWHSU-OLZOCXBDSA-N 2 2 283.416 0.649 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCCN(c2ccnn2C)C1 ZINC000423091935 389533187 /nfs/dbraw/zinc/53/31/87/389533187.db2.gz ZQMLMYJAHCILRE-RDBSUJKOSA-N 2 2 277.416 0.977 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1NC[C@@H](C)[NH+](CC)CC ZINC000423089193 389533255 /nfs/dbraw/zinc/53/32/55/389533255.db2.gz UOPCXPCTKSWQFG-UPJWGTAASA-N 2 2 271.405 0.600 20 0 CCADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cnnn1C ZINC000423122171 389537799 /nfs/dbraw/zinc/53/77/99/389537799.db2.gz JMJYUNQEMAKKST-SMDDNHRTSA-N 2 2 259.357 0.863 20 0 CCADLP CC(C)[N@H+](C)Cc1nc(CC(=O)N2CC[NH+](C)CC2)no1 ZINC000350733583 389538618 /nfs/dbraw/zinc/53/86/18/389538618.db2.gz DYHBKCUCDCCDCK-UHFFFAOYSA-N 2 2 295.387 0.226 20 0 CCADLP CC(C)[N@@H+](C)Cc1nc(CC(=O)N2CC[NH+](C)CC2)no1 ZINC000350733583 389538622 /nfs/dbraw/zinc/53/86/22/389538622.db2.gz DYHBKCUCDCCDCK-UHFFFAOYSA-N 2 2 295.387 0.226 20 0 CCADLP CCC[C@H](C)C(=O)NCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423131063 389539598 /nfs/dbraw/zinc/53/95/98/389539598.db2.gz NMLQLVWUXGCOLV-NWANDNLSSA-N 2 2 297.443 0.895 20 0 CCADLP CCO[C@H]1C[C@@H]([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000423159792 389546635 /nfs/dbraw/zinc/54/66/35/389546635.db2.gz GLBXTGVAEPFBOT-RQJABVFESA-N 2 2 254.374 0.911 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423178926 389549291 /nfs/dbraw/zinc/54/92/91/389549291.db2.gz LHIBUYZWXMQFTA-ZFWWWQNUSA-N 3 2 266.433 0.354 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423178926 389549296 /nfs/dbraw/zinc/54/92/96/389549296.db2.gz LHIBUYZWXMQFTA-ZFWWWQNUSA-N 3 2 266.433 0.354 20 0 CCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@@H]1CC[NH2+]C1 ZINC000335450891 389566815 /nfs/dbraw/zinc/56/68/15/389566815.db2.gz DFSTUTDQLQOGON-LLVKDONJSA-N 2 2 262.357 0.787 20 0 CCADLP CC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422865946 389495920 /nfs/dbraw/zinc/49/59/20/389495920.db2.gz ZMHHMDOZCWECOH-ILXRZTDVSA-N 3 2 268.449 0.743 20 0 CCADLP CCN(CC)S(=O)(=O)CC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422865618 389496118 /nfs/dbraw/zinc/49/61/18/389496118.db2.gz YUHCEUCZGSQMRL-CHWSQXEVSA-N 2 2 291.461 0.778 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000422867293 389496561 /nfs/dbraw/zinc/49/65/61/389496561.db2.gz RZYLYCGXRQVCEC-BFHYXJOUSA-N 2 2 283.416 0.731 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000422867293 389496566 /nfs/dbraw/zinc/49/65/66/389496566.db2.gz RZYLYCGXRQVCEC-BFHYXJOUSA-N 2 2 283.416 0.731 20 0 CCADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@H]([NH3+])c3ccccc3)C[C@@H]21 ZINC000423926883 389614889 /nfs/dbraw/zinc/61/48/89/389614889.db2.gz FAXQEHARXIVBIE-RRFJBIMHSA-N 2 2 289.379 0.618 20 0 CCADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@H]([NH3+])c3ccccc3)C[C@@H]21 ZINC000423926883 389614892 /nfs/dbraw/zinc/61/48/92/389614892.db2.gz FAXQEHARXIVBIE-RRFJBIMHSA-N 2 2 289.379 0.618 20 0 CCADLP CC(C)OC[C@@H](CO)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351649597 389647434 /nfs/dbraw/zinc/64/74/34/389647434.db2.gz NKMGVOYIUGTNKM-KGLIPLIRSA-N 2 2 274.405 0.159 20 0 CCADLP CC(C)OC[C@@H](CO)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351649597 389647438 /nfs/dbraw/zinc/64/74/38/389647438.db2.gz NKMGVOYIUGTNKM-KGLIPLIRSA-N 2 2 274.405 0.159 20 0 CCADLP CC(C)OC[C@@H](CO)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351649597 389647443 /nfs/dbraw/zinc/64/74/43/389647443.db2.gz NKMGVOYIUGTNKM-KGLIPLIRSA-N 2 2 274.405 0.159 20 0 CCADLP CC(C)OC[C@@H](CO)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351649597 389647448 /nfs/dbraw/zinc/64/74/48/389647448.db2.gz NKMGVOYIUGTNKM-KGLIPLIRSA-N 2 2 274.405 0.159 20 0 CCADLP Cc1nc(C)c(C[NH2+]C[C@@H]2C[NH2+]CCN2C)s1 ZINC000414961075 389647786 /nfs/dbraw/zinc/64/77/86/389647786.db2.gz IETJTCRFBPBOIZ-NSHDSACASA-N 2 2 254.403 0.753 20 0 CCADLP COCC[NH2+]CC[NH2+][C@H](C)CC(=O)N1CCCCCC1 ZINC000414881021 389642734 /nfs/dbraw/zinc/64/27/34/389642734.db2.gz JVDMTVXJPYSTLZ-CQSZACIVSA-N 2 2 285.432 0.993 20 0 CCADLP CCCNC(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000374425944 389578863 /nfs/dbraw/zinc/57/88/63/389578863.db2.gz ATHALLMGDZSGIR-MGPQQGTHSA-N 2 2 283.416 0.696 20 0 CCADLP CCCNC(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000374425944 389578866 /nfs/dbraw/zinc/57/88/66/389578866.db2.gz ATHALLMGDZSGIR-MGPQQGTHSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413962199 389585653 /nfs/dbraw/zinc/58/56/53/389585653.db2.gz UWAFBBRVPKOPCW-CHWSQXEVSA-N 2 2 283.416 0.411 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413962199 389585657 /nfs/dbraw/zinc/58/56/57/389585657.db2.gz UWAFBBRVPKOPCW-CHWSQXEVSA-N 2 2 283.416 0.411 20 0 CCADLP [NH3+][C@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)C1CC1 ZINC000423487391 389593971 /nfs/dbraw/zinc/59/39/71/389593971.db2.gz XDSJAVQXBGCMPD-GFCCVEGCSA-N 2 2 271.324 0.734 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423512318 389597568 /nfs/dbraw/zinc/59/75/68/389597568.db2.gz PRXGMCGFPVLRNL-LBDPXKHJSA-N 3 2 280.460 0.790 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423512318 389597572 /nfs/dbraw/zinc/59/75/72/389597572.db2.gz PRXGMCGFPVLRNL-LBDPXKHJSA-N 3 2 280.460 0.790 20 0 CCADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000423520791 389598834 /nfs/dbraw/zinc/59/88/34/389598834.db2.gz KMRZJFSURLXFIK-NEPJUHHUSA-N 2 2 257.378 0.211 20 0 CCADLP CO[C@H](C)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000374715052 389602992 /nfs/dbraw/zinc/60/29/92/389602992.db2.gz NBWCMGCPJIGQHH-DGCLKSJQSA-N 2 2 269.389 0.435 20 0 CCADLP CO[C@H](C)C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000374715052 389602995 /nfs/dbraw/zinc/60/29/95/389602995.db2.gz NBWCMGCPJIGQHH-DGCLKSJQSA-N 2 2 269.389 0.435 20 0 CCADLP COC[C@@]1(C[NH2+]Cc2ccc3c(c2)nnn3C)CCC[NH2+]1 ZINC000414949459 389646473 /nfs/dbraw/zinc/64/64/73/389646473.db2.gz ZPXNOHBEVVRNCL-HNNXBMFYSA-N 2 2 289.383 0.827 20 0 CCADLP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cocn1 ZINC000428876196 389724916 /nfs/dbraw/zinc/72/49/16/389724916.db2.gz ZIAQEFNZUQGOMC-LBPRGKRZSA-N 2 2 252.362 0.790 20 0 CCADLP CCOC(=O)C[C@@H](C)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000182620634 389712197 /nfs/dbraw/zinc/71/21/97/389712197.db2.gz RMLXUOJVGIXNBL-GFCCVEGCSA-N 2 2 285.388 0.034 20 0 CCADLP CCOC(=O)C[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000182620634 389712199 /nfs/dbraw/zinc/71/21/99/389712199.db2.gz RMLXUOJVGIXNBL-GFCCVEGCSA-N 2 2 285.388 0.034 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCN2C)[C@H](C)C1 ZINC000414970970 389649462 /nfs/dbraw/zinc/64/94/62/389649462.db2.gz HGTOHMMFVVBZLF-RDBSUJKOSA-N 3 2 254.422 0.210 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCN2C)[C@H](C)C1 ZINC000414970970 389649464 /nfs/dbraw/zinc/64/94/64/389649464.db2.gz HGTOHMMFVVBZLF-RDBSUJKOSA-N 3 2 254.422 0.210 20 0 CCADLP COc1cc2c(cc1C[NH2+]C[C@@H]1C[NH2+]CCN1C)OCO2 ZINC000414981971 389650307 /nfs/dbraw/zinc/65/03/07/389650307.db2.gz YKUOAGXFGRFTFV-LBPRGKRZSA-N 2 2 293.367 0.417 20 0 CCADLP Cn1c(C[NH2+]C[C@H]2C[NH2+]CCO2)nc2ccccc21 ZINC000415099761 389659314 /nfs/dbraw/zinc/65/93/14/389659314.db2.gz ZDOJKUXBFAZSFT-LLVKDONJSA-N 2 2 260.341 0.651 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)CC1 ZINC000375357492 389669413 /nfs/dbraw/zinc/66/94/13/389669413.db2.gz VMFIVDYFOZNWDZ-UONOGXRCSA-N 2 2 281.400 0.404 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2[C@H]2CCCO2)CC1 ZINC000375357492 389669415 /nfs/dbraw/zinc/66/94/15/389669415.db2.gz VMFIVDYFOZNWDZ-UONOGXRCSA-N 2 2 281.400 0.404 20 0 CCADLP Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)on1 ZINC000351858503 389700780 /nfs/dbraw/zinc/70/07/80/389700780.db2.gz ZIMPDUYNHAVRHC-VWYCJHECSA-N 2 2 266.345 0.979 20 0 CCADLP Cc1cc(NC(=O)[C@H](C)[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)on1 ZINC000351858503 389700785 /nfs/dbraw/zinc/70/07/85/389700785.db2.gz ZIMPDUYNHAVRHC-VWYCJHECSA-N 2 2 266.345 0.979 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000351860437 389701708 /nfs/dbraw/zinc/70/17/08/389701708.db2.gz IJWMDHYNWUAWDN-STQMWFEESA-N 2 2 297.424 0.634 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000351860437 389701709 /nfs/dbraw/zinc/70/17/09/389701709.db2.gz IJWMDHYNWUAWDN-STQMWFEESA-N 2 2 297.424 0.634 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC000182300537 389705641 /nfs/dbraw/zinc/70/56/41/389705641.db2.gz INDZKYAPFAPNPL-CYBMUJFWSA-N 2 2 299.415 0.422 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC000182300537 389705643 /nfs/dbraw/zinc/70/56/43/389705643.db2.gz INDZKYAPFAPNPL-CYBMUJFWSA-N 2 2 299.415 0.422 20 0 CCADLP COC(=O)CC[NH+]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC000182300537 389705645 /nfs/dbraw/zinc/70/56/45/389705645.db2.gz INDZKYAPFAPNPL-CYBMUJFWSA-N 2 2 299.415 0.422 20 0 CCADLP C[C@@H](C(=O)NCC[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000429406971 389755088 /nfs/dbraw/zinc/75/50/88/389755088.db2.gz PVZSEEIJHPXRTJ-STQMWFEESA-N 2 2 269.389 0.213 20 0 CCADLP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000429671773 389763951 /nfs/dbraw/zinc/76/39/51/389763951.db2.gz PQCGDVSBAZOYCA-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000429671773 389763954 /nfs/dbraw/zinc/76/39/54/389763954.db2.gz PQCGDVSBAZOYCA-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000352178255 389765860 /nfs/dbraw/zinc/76/58/60/389765860.db2.gz LFKYHQWFJRYADM-KGLIPLIRSA-N 2 2 285.432 0.990 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CC2=CC[N@H+](C)CC2)n1C ZINC000392317207 389774186 /nfs/dbraw/zinc/77/41/86/389774186.db2.gz QODIHGSRZSUPDM-UHFFFAOYSA-N 3 2 263.389 0.838 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CC2=CC[N@@H+](C)CC2)n1C ZINC000392317207 389774188 /nfs/dbraw/zinc/77/41/88/389774188.db2.gz QODIHGSRZSUPDM-UHFFFAOYSA-N 3 2 263.389 0.838 20 0 CCADLP CC(C)([NH3+])CNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000416939876 389783018 /nfs/dbraw/zinc/78/30/18/389783018.db2.gz DUVWYQTYYAPFQB-UHFFFAOYSA-N 2 2 275.356 0.913 20 0 CCADLP CC(C)[C@@](C)(CO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000398597642 389783688 /nfs/dbraw/zinc/78/36/88/389783688.db2.gz JNOZKPUIYAYPQG-CYBMUJFWSA-N 2 2 254.378 0.983 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@H]([NH3+])C1CCC1)[NH+]1CCN(C)CC1 ZINC000398964241 389786887 /nfs/dbraw/zinc/78/68/87/389786887.db2.gz PMWMTATVHPELQI-HUUCEWRRSA-N 2 2 296.459 0.502 20 0 CCADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000416997503 389787637 /nfs/dbraw/zinc/78/76/37/389787637.db2.gz AISVGDPALOAQBC-JQWIXIFHSA-N 2 2 277.372 0.779 20 0 CCADLP [NH3+][C@H](C(=O)N1CC[NH+](Cc2cccnc2)CC1)C1CCC1 ZINC000399188566 389789259 /nfs/dbraw/zinc/78/92/59/389789259.db2.gz OTLJDLVOXIUQCM-HNNXBMFYSA-N 2 2 288.395 0.853 20 0 CCADLP C[C@@H]1CN(C(=O)NCCCNc2cccc[nH+]2)C[C@H]1[NH3+] ZINC000417075443 389793797 /nfs/dbraw/zinc/79/37/97/389793797.db2.gz JVKJXQBUPIAEDX-VXGBXAGGSA-N 2 2 277.372 0.872 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(F)F)C2)CC1 ZINC000376476340 389736364 /nfs/dbraw/zinc/73/63/64/389736364.db2.gz HEUINZDOJYCSCY-SECBINFHSA-N 2 2 261.316 0.536 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(F)F)C2)CC1 ZINC000376476340 389736367 /nfs/dbraw/zinc/73/63/67/389736367.db2.gz HEUINZDOJYCSCY-SECBINFHSA-N 2 2 261.316 0.536 20 0 CCADLP CC1(CNC(=O)NCC[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000416438480 389743911 /nfs/dbraw/zinc/74/39/11/389743911.db2.gz OQKCWZYHNMWQEN-UHFFFAOYSA-N 2 2 284.404 0.008 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCCCn1cc[nH+]c1 ZINC000416441970 389744346 /nfs/dbraw/zinc/74/43/46/389744346.db2.gz WQHYLHXWOPZEPV-NEPJUHHUSA-N 2 2 265.361 0.570 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)Nc2ccncc2)C1 ZINC000430554575 389807840 /nfs/dbraw/zinc/80/78/40/389807840.db2.gz WAUJMXFBCOSUAN-VXGBXAGGSA-N 2 2 262.357 0.501 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)Nc2ccncc2)C1 ZINC000430554575 389807841 /nfs/dbraw/zinc/80/78/41/389807841.db2.gz WAUJMXFBCOSUAN-VXGBXAGGSA-N 2 2 262.357 0.501 20 0 CCADLP C[C@@H](C(=O)Nc1ncccn1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430572817 389808245 /nfs/dbraw/zinc/80/82/45/389808245.db2.gz PAQCERBWCRLHRN-JTQLQIEISA-N 2 2 265.361 0.720 20 0 CCADLP C[C@@H](C(=O)Nc1ncccn1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430572817 389808246 /nfs/dbraw/zinc/80/82/46/389808246.db2.gz PAQCERBWCRLHRN-JTQLQIEISA-N 2 2 265.361 0.720 20 0 CCADLP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000430588445 389809602 /nfs/dbraw/zinc/80/96/02/389809602.db2.gz DUQXYKYBOLZPFU-CYBMUJFWSA-N 2 2 290.367 0.537 20 0 CCADLP NC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000430588445 389809604 /nfs/dbraw/zinc/80/96/04/389809604.db2.gz DUQXYKYBOLZPFU-CYBMUJFWSA-N 2 2 290.367 0.537 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@@H](C)CS(C)(=O)=O ZINC000430584990 389809740 /nfs/dbraw/zinc/80/97/40/389809740.db2.gz QVPDOEDTKSVDCG-NEPJUHHUSA-N 2 2 264.435 0.972 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@@H](C)CS(C)(=O)=O ZINC000430584990 389809744 /nfs/dbraw/zinc/80/97/44/389809744.db2.gz QVPDOEDTKSVDCG-NEPJUHHUSA-N 2 2 264.435 0.972 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCCN1C(=O)NC(C)(C)C1=O ZINC000430618866 389813419 /nfs/dbraw/zinc/81/34/19/389813419.db2.gz XMENDTXNKYQTFS-NWDGAFQWSA-N 2 2 296.415 0.909 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCCN1C(=O)NC(C)(C)C1=O ZINC000430618866 389813422 /nfs/dbraw/zinc/81/34/22/389813422.db2.gz XMENDTXNKYQTFS-NWDGAFQWSA-N 2 2 296.415 0.909 20 0 CCADLP C[C@H]1CN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)[C@@H](C)C[NH2+]1 ZINC000417422873 389814918 /nfs/dbraw/zinc/81/49/18/389814918.db2.gz LNMHXHIJAOEFMW-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H]1CN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)[C@@H](C)C[NH2+]1 ZINC000417422873 389814921 /nfs/dbraw/zinc/81/49/21/389814921.db2.gz LNMHXHIJAOEFMW-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP C[NH2+]C[C@H]1CCCN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000417430158 389815408 /nfs/dbraw/zinc/81/54/08/389815408.db2.gz WXPVMUGGPIZZKR-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH2+]C[C@H]1CCCN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000417430158 389815411 /nfs/dbraw/zinc/81/54/11/389815411.db2.gz WXPVMUGGPIZZKR-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH+]1CCC([NH3+])CC1 ZINC000430640555 389816050 /nfs/dbraw/zinc/81/60/50/389816050.db2.gz RHFOPTVOCHHTSX-WCQYABFASA-N 2 2 296.415 0.814 20 0 CCADLP COCC[C@]1(C(=O)N[C@H](C)Cn2cc[nH+]c2)CC[NH2+]C1 ZINC000430688594 389817954 /nfs/dbraw/zinc/81/79/54/389817954.db2.gz YNMNJWUAGCERNR-TZMCWYRMSA-N 2 2 280.372 0.404 20 0 CCADLP C[C@H]1CN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC[NH2+]1 ZINC000417502690 389821490 /nfs/dbraw/zinc/82/14/90/389821490.db2.gz JXZZUCLBZNRZTQ-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H]1CN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC[NH2+]1 ZINC000417502690 389821491 /nfs/dbraw/zinc/82/14/91/389821491.db2.gz JXZZUCLBZNRZTQ-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000417498805 389821520 /nfs/dbraw/zinc/82/15/20/389821520.db2.gz DUGPFNDABLMUQC-GFCCVEGCSA-N 2 2 284.404 0.230 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000417498805 389821522 /nfs/dbraw/zinc/82/15/22/389821522.db2.gz DUGPFNDABLMUQC-GFCCVEGCSA-N 2 2 284.404 0.230 20 0 CCADLP CC(C)(C[NH3+])C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000430747128 389821968 /nfs/dbraw/zinc/82/19/68/389821968.db2.gz VPRHDBRSAYFHAB-UHFFFAOYSA-N 2 2 292.383 0.519 20 0 CCADLP C[C@@H](NC(=O)NC(C)(C)C[NH3+])[C@@H](C)[NH+]1CCOCC1 ZINC000417524494 389826012 /nfs/dbraw/zinc/82/60/12/389826012.db2.gz SKQARNPIYMNIFQ-GHMZBOCLSA-N 2 2 272.393 0.132 20 0 CCADLP C[C@@H](NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000417529071 389826961 /nfs/dbraw/zinc/82/69/61/389826961.db2.gz WZQYSFBAIQGRQG-RQJABVFESA-N 2 2 298.431 0.487 20 0 CCADLP C[NH2+]C[C@@H]1CCCN1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000417529858 389827021 /nfs/dbraw/zinc/82/70/21/389827021.db2.gz XYAZFBZXSGNHRC-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP O=C(COC1C[NH2+]C1)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000430817610 389827598 /nfs/dbraw/zinc/82/75/98/389827598.db2.gz URQXRLANFJZNRS-UHFFFAOYSA-N 3 2 273.296 0.194 20 0 CCADLP COc1ccccc1[C@@H]([NH3+])C(=O)NCCn1cc[nH+]c1 ZINC000430830638 389828487 /nfs/dbraw/zinc/82/84/87/389828487.db2.gz PCVVRCAAUUNNNO-CYBMUJFWSA-N 2 2 274.324 0.708 20 0 CCADLP CO[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000441365783 389831528 /nfs/dbraw/zinc/83/15/28/389831528.db2.gz RHWWWHJEXQVSPQ-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CO[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000441365783 389831531 /nfs/dbraw/zinc/83/15/31/389831531.db2.gz RHWWWHJEXQVSPQ-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP Cc1cn2cc(NC(=O)COC3C[NH2+]C3)ccc2[nH+]1 ZINC000430908963 389833955 /nfs/dbraw/zinc/83/39/55/389833955.db2.gz YDRWRSPGMSTMOS-UHFFFAOYSA-N 2 2 260.297 0.570 20 0 CCADLP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1CC[NH+]1CCOCC1 ZINC000352815025 389838383 /nfs/dbraw/zinc/83/83/83/389838383.db2.gz KRGMODBCOMWBKK-LSDHHAIUSA-N 2 2 267.417 0.877 20 0 CCADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000430949940 389839440 /nfs/dbraw/zinc/83/94/40/389839440.db2.gz FNKGRZKKOSRGEB-JSGCOSHPSA-N 2 2 289.379 0.907 20 0 CCADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000430949940 389839446 /nfs/dbraw/zinc/83/94/46/389839446.db2.gz FNKGRZKKOSRGEB-JSGCOSHPSA-N 2 2 289.379 0.907 20 0 CCADLP COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000430954962 389840328 /nfs/dbraw/zinc/84/03/28/389840328.db2.gz KTZWQPXDSZZETI-NSHDSACASA-N 2 2 293.367 0.923 20 0 CCADLP COc1ccc(NC(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000430954962 389840335 /nfs/dbraw/zinc/84/03/35/389840335.db2.gz KTZWQPXDSZZETI-NSHDSACASA-N 2 2 293.367 0.923 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000430960320 389841350 /nfs/dbraw/zinc/84/13/50/389841350.db2.gz IHJGOBVUKFKLKU-CYBMUJFWSA-N 3 2 294.443 0.271 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000430960320 389841352 /nfs/dbraw/zinc/84/13/52/389841352.db2.gz IHJGOBVUKFKLKU-CYBMUJFWSA-N 3 2 294.443 0.271 20 0 CCADLP COc1ccc(NC(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)c(OC)c1 ZINC000430966998 389841605 /nfs/dbraw/zinc/84/16/05/389841605.db2.gz QVGYVCAYKACYLH-LLVKDONJSA-N 2 2 293.367 0.923 20 0 CCADLP COc1ccc(NC(=O)C[N@H+]2CC[C@H](C[NH3+])C2)c(OC)c1 ZINC000430966998 389841608 /nfs/dbraw/zinc/84/16/08/389841608.db2.gz QVGYVCAYKACYLH-LLVKDONJSA-N 2 2 293.367 0.923 20 0 CCADLP C[C@@H]([NH3+])CN1CC[NH+](CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000442660735 389853976 /nfs/dbraw/zinc/85/39/76/389853976.db2.gz MMLQCUQZKCOYIE-QLFBSQMISA-N 2 2 296.459 0.456 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000417855737 389857798 /nfs/dbraw/zinc/85/77/98/389857798.db2.gz RNSARJDXNUPKIP-RDDDGLTNSA-N 2 2 257.284 0.818 20 0 CCADLP Cc1cc(N2CC[C@H]([N@H+]3C[C@@H](C[NH3+])C[C@H]3C)C2=O)n(C)n1 ZINC000442762056 389861582 /nfs/dbraw/zinc/86/15/82/389861582.db2.gz ZQUBDDRPFLWNOP-UPJWGTAASA-N 2 2 291.399 0.503 20 0 CCADLP Cc1cc(N2CC[C@H]([N@@H+]3C[C@@H](C[NH3+])C[C@H]3C)C2=O)n(C)n1 ZINC000442762056 389861584 /nfs/dbraw/zinc/86/15/84/389861584.db2.gz ZQUBDDRPFLWNOP-UPJWGTAASA-N 2 2 291.399 0.503 20 0 CCADLP CCn1c[nH+]cc1CN1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000418037842 389867141 /nfs/dbraw/zinc/86/71/41/389867141.db2.gz XTYWOLCKBPWODD-QWHCGFSZSA-N 2 2 266.389 0.790 20 0 CCADLP CCn1c[nH+]cc1CN1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000418037842 389867144 /nfs/dbraw/zinc/86/71/44/389867144.db2.gz XTYWOLCKBPWODD-QWHCGFSZSA-N 2 2 266.389 0.790 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000433157712 389901827 /nfs/dbraw/zinc/90/18/27/389901827.db2.gz HAHZTLSTTITNRQ-RYUDHWBXSA-N 2 2 252.362 0.866 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000433169813 389902995 /nfs/dbraw/zinc/90/29/95/389902995.db2.gz SWAWWGUNWORADL-NEPJUHHUSA-N 2 2 257.378 0.054 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000433169813 389902997 /nfs/dbraw/zinc/90/29/97/389902997.db2.gz SWAWWGUNWORADL-NEPJUHHUSA-N 2 2 257.378 0.054 20 0 CCADLP COCC(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435564410 389958487 /nfs/dbraw/zinc/95/84/87/389958487.db2.gz CIJMACPCBIPUJJ-GFCCVEGCSA-N 2 2 292.383 0.537 20 0 CCADLP C[N@H+](CC(=O)NCc1cccnc1)[C@H]1CCC[NH2+]CC1 ZINC000435620737 389959301 /nfs/dbraw/zinc/95/93/01/389959301.db2.gz FMTJDXIVXHYOBH-AWEZNQCLSA-N 2 2 276.384 0.772 20 0 CCADLP C[N@@H+](CC(=O)NCc1cccnc1)[C@H]1CCC[NH2+]CC1 ZINC000435620737 389959303 /nfs/dbraw/zinc/95/93/03/389959303.db2.gz FMTJDXIVXHYOBH-AWEZNQCLSA-N 2 2 276.384 0.772 20 0 CCADLP CCOCCNC(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435624571 389959596 /nfs/dbraw/zinc/95/95/96/389959596.db2.gz XWXRIQQNKURVKP-LBPRGKRZSA-N 2 2 257.378 0.213 20 0 CCADLP CCOCCNC(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435624571 389959599 /nfs/dbraw/zinc/95/95/99/389959599.db2.gz XWXRIQQNKURVKP-LBPRGKRZSA-N 2 2 257.378 0.213 20 0 CCADLP CC[C@H](C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)[NH+](C)C ZINC000447657474 389961550 /nfs/dbraw/zinc/96/15/50/389961550.db2.gz SKIWCPGOKJSYPK-CYBMUJFWSA-N 2 2 285.432 0.896 20 0 CCADLP CC[C@H](C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)[NH+](C)C ZINC000447657474 389961551 /nfs/dbraw/zinc/96/15/51/389961551.db2.gz SKIWCPGOKJSYPK-CYBMUJFWSA-N 2 2 285.432 0.896 20 0 CCADLP CCS(=O)(=O)N(C)C1CC[NH+](CCC[NH2+]C)CC1 ZINC000435883940 389965153 /nfs/dbraw/zinc/96/51/53/389965153.db2.gz NKNFYOZVOUQLBX-UHFFFAOYSA-N 2 2 277.434 0.342 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+]1CCc1nnnn1-c1ccccc1 ZINC000433491845 389916146 /nfs/dbraw/zinc/91/61/46/389916146.db2.gz BOQZJPXKTHUJDR-CQSZACIVSA-N 2 2 286.383 0.889 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+]1CCc1nnnn1-c1ccccc1 ZINC000433491845 389916147 /nfs/dbraw/zinc/91/61/47/389916147.db2.gz BOQZJPXKTHUJDR-CQSZACIVSA-N 2 2 286.383 0.889 20 0 CCADLP CC1CC[NH+](CC(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000434391244 389932339 /nfs/dbraw/zinc/93/23/39/389932339.db2.gz PXWIXBKARUHBHU-UHFFFAOYSA-N 2 2 295.427 0.699 20 0 CCADLP CC[C@H]1CN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000446401571 389935517 /nfs/dbraw/zinc/93/55/17/389935517.db2.gz ZUGHYYDDHVOKHE-IGQOVBAYSA-N 2 2 299.390 0.256 20 0 CCADLP O=S1(=O)CC[C@@H](C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000434543375 389937762 /nfs/dbraw/zinc/93/77/62/389937762.db2.gz GRNKNYYUKZBQNW-KGLIPLIRSA-N 2 2 286.441 0.839 20 0 CCADLP O=S1(=O)CC[C@@H](C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000434543375 389937763 /nfs/dbraw/zinc/93/77/63/389937763.db2.gz GRNKNYYUKZBQNW-KGLIPLIRSA-N 2 2 286.441 0.839 20 0 CCADLP CCOCC[C@@H](O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000434633951 389939458 /nfs/dbraw/zinc/93/94/58/389939458.db2.gz NSJGTGQKBZASKD-CQSZACIVSA-N 2 2 274.405 0.162 20 0 CCADLP CCOCC[C@@H](O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000434633951 389939459 /nfs/dbraw/zinc/93/94/59/389939459.db2.gz NSJGTGQKBZASKD-CQSZACIVSA-N 2 2 274.405 0.162 20 0 CCADLP COCCO[C@H]1C[C@H](CO)C[N@H+](CCn2cc[nH+]c2)C1 ZINC000447392264 389953611 /nfs/dbraw/zinc/95/36/11/389953611.db2.gz HNVMDSCGLYCPOZ-KBPBESRZSA-N 2 2 283.372 0.229 20 0 CCADLP COCCO[C@H]1C[C@H](CO)C[N@@H+](CCn2cc[nH+]c2)C1 ZINC000447392264 389953613 /nfs/dbraw/zinc/95/36/13/389953613.db2.gz HNVMDSCGLYCPOZ-KBPBESRZSA-N 2 2 283.372 0.229 20 0 CCADLP Cn1ncc(Cl)c1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000436413300 389975864 /nfs/dbraw/zinc/97/58/64/389975864.db2.gz OVCHDVFRZWRJIQ-NSHDSACASA-N 2 2 258.753 0.230 20 0 CCADLP Cn1ncc(Cl)c1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000436413300 389975867 /nfs/dbraw/zinc/97/58/67/389975867.db2.gz OVCHDVFRZWRJIQ-NSHDSACASA-N 2 2 258.753 0.230 20 0 CCADLP CC[C@@H]1C(=O)NCC[N@H+]1C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420296386 389979433 /nfs/dbraw/zinc/97/94/33/389979433.db2.gz DMARLSYBVVGQLD-DZGCQCFKSA-N 2 2 291.395 0.948 20 0 CCADLP CC[C@@H]1C(=O)NCC[N@@H+]1C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420296386 389979434 /nfs/dbraw/zinc/97/94/34/389979434.db2.gz DMARLSYBVVGQLD-DZGCQCFKSA-N 2 2 291.395 0.948 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000420304934 389980900 /nfs/dbraw/zinc/98/09/00/389980900.db2.gz JNMCBGBLZGNLPR-ULQDDVLXSA-N 3 2 289.423 0.603 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000420304934 389980904 /nfs/dbraw/zinc/98/09/04/389980904.db2.gz JNMCBGBLZGNLPR-ULQDDVLXSA-N 3 2 289.423 0.603 20 0 CCADLP Cn1cc(-c2cc(C[N@H+](C)C3CC([NH3+])C3)on2)cn1 ZINC000420323220 389983320 /nfs/dbraw/zinc/98/33/20/389983320.db2.gz BCVFGJIGVZNOER-UHFFFAOYSA-N 2 2 261.329 0.997 20 0 CCADLP Cn1cc(-c2cc(C[N@@H+](C)C3CC([NH3+])C3)on2)cn1 ZINC000420323220 389983321 /nfs/dbraw/zinc/98/33/21/389983321.db2.gz BCVFGJIGVZNOER-UHFFFAOYSA-N 2 2 261.329 0.997 20 0 CCADLP Cn1nnnc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000420320112 389983597 /nfs/dbraw/zinc/98/35/97/389983597.db2.gz SUIFVDVMEZXWGM-OLZOCXBDSA-N 2 2 272.356 0.384 20 0 CCADLP Cn1nnnc1C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000420320112 389983599 /nfs/dbraw/zinc/98/35/99/389983599.db2.gz SUIFVDVMEZXWGM-OLZOCXBDSA-N 2 2 272.356 0.384 20 0 CCADLP C[N@@H+](CC(=O)N[C@H]1CCCc2ccccc21)C[C@@H](O)C[NH3+] ZINC000420348934 389987895 /nfs/dbraw/zinc/98/78/95/389987895.db2.gz BFDFPGRZHLLAQN-ZFWWWQNUSA-N 2 2 291.395 0.432 20 0 CCADLP C[N@H+](CC(=O)N[C@H]1CCCc2ccccc21)C[C@@H](O)C[NH3+] ZINC000420348934 389987897 /nfs/dbraw/zinc/98/78/97/389987897.db2.gz BFDFPGRZHLLAQN-ZFWWWQNUSA-N 2 2 291.395 0.432 20 0 CCADLP C[C@@H](C(=O)NCc1ccc(F)cc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420349751 389988288 /nfs/dbraw/zinc/98/82/88/389988288.db2.gz DSPKAVYWNANFSY-GXFFZTMASA-N 2 2 283.347 0.082 20 0 CCADLP C[C@@H](C(=O)NCc1ccc(F)cc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420349751 389988291 /nfs/dbraw/zinc/98/82/91/389988291.db2.gz DSPKAVYWNANFSY-GXFFZTMASA-N 2 2 283.347 0.082 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420351660 389989228 /nfs/dbraw/zinc/98/92/28/389989228.db2.gz ACXKRJSBKZFZMS-HNNXBMFYSA-N 2 2 296.415 0.688 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420351660 389989231 /nfs/dbraw/zinc/98/92/31/389989231.db2.gz ACXKRJSBKZFZMS-HNNXBMFYSA-N 2 2 296.415 0.688 20 0 CCADLP CCc1ccc([C@H](C)NC(=O)C[N@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000420352809 389989533 /nfs/dbraw/zinc/98/95/33/389989533.db2.gz MUKJDKAGPNJKND-WFASDCNBSA-N 2 2 293.411 0.678 20 0 CCADLP CCc1ccc([C@H](C)NC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000420352809 389989535 /nfs/dbraw/zinc/98/95/35/389989535.db2.gz MUKJDKAGPNJKND-WFASDCNBSA-N 2 2 293.411 0.678 20 0 CCADLP CCc1ccc([C@H](C)NC(=O)C[N@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000420352807 389989765 /nfs/dbraw/zinc/98/97/65/389989765.db2.gz MUKJDKAGPNJKND-SWLSCSKDSA-N 2 2 293.411 0.678 20 0 CCADLP CCc1ccc([C@H](C)NC(=O)C[N@@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000420352807 389989767 /nfs/dbraw/zinc/98/97/67/389989767.db2.gz MUKJDKAGPNJKND-SWLSCSKDSA-N 2 2 293.411 0.678 20 0 CCADLP CCCNC(=O)NC(=O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420355101 389990102 /nfs/dbraw/zinc/99/01/02/389990102.db2.gz BQSWLIWUMSMPMK-JBLDHEPKSA-N 2 2 270.377 0.198 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420355295 389990111 /nfs/dbraw/zinc/99/01/11/389990111.db2.gz CHFUYMQHYDAIBX-INIZCTEOSA-N 2 2 297.443 0.995 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420355295 389990112 /nfs/dbraw/zinc/99/01/12/389990112.db2.gz CHFUYMQHYDAIBX-INIZCTEOSA-N 2 2 297.443 0.995 20 0 CCADLP Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)CC[NH3+] ZINC000420363168 389992841 /nfs/dbraw/zinc/99/28/41/389992841.db2.gz BHTJBMDYJHUYTB-AAEUAGOBSA-N 2 2 269.368 0.223 20 0 CCADLP Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)CC[NH3+] ZINC000420363168 389992842 /nfs/dbraw/zinc/99/28/42/389992842.db2.gz BHTJBMDYJHUYTB-AAEUAGOBSA-N 2 2 269.368 0.223 20 0 CCADLP COc1nccc(C[NH2+][C@H](C)CC[NH+]2CCOCC2)n1 ZINC000449223001 389992902 /nfs/dbraw/zinc/99/29/02/389992902.db2.gz IYFPBZGEFMOMFX-GFCCVEGCSA-N 2 2 280.372 0.686 20 0 CCADLP C[NH2+]CCC[N@H+](C)CC(=O)NCc1ccccc1COC ZINC000420384991 389995348 /nfs/dbraw/zinc/99/53/48/389995348.db2.gz GAWKAMVRRYVVFN-UHFFFAOYSA-N 2 2 293.411 0.991 20 0 CCADLP C[NH2+]CCC[N@@H+](C)CC(=O)NCc1ccccc1COC ZINC000420384991 389995350 /nfs/dbraw/zinc/99/53/50/389995350.db2.gz GAWKAMVRRYVVFN-UHFFFAOYSA-N 2 2 293.411 0.991 20 0 CCADLP CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420383349 389995370 /nfs/dbraw/zinc/99/53/70/389995370.db2.gz STWWNXYKCNGZIW-GXTWGEPZSA-N 2 2 253.390 0.977 20 0 CCADLP CC[C@H](C)NC(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420383349 389995372 /nfs/dbraw/zinc/99/53/72/389995372.db2.gz STWWNXYKCNGZIW-GXTWGEPZSA-N 2 2 253.390 0.977 20 0 CCADLP CCC[C@@](C)([NH2+]CCC(=O)N1CC[NH2+]CC1)C(=O)OC ZINC000420382899 389995398 /nfs/dbraw/zinc/99/53/98/389995398.db2.gz YZFWCVXARQLPNL-CQSZACIVSA-N 2 2 285.388 0.130 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420401648 389997209 /nfs/dbraw/zinc/99/72/09/389997209.db2.gz PMMSOMPFGDMYGF-OLZOCXBDSA-N 2 2 296.415 0.686 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420401648 389997212 /nfs/dbraw/zinc/99/72/12/389997212.db2.gz PMMSOMPFGDMYGF-OLZOCXBDSA-N 2 2 296.415 0.686 20 0 CCADLP CC[C@H](O)CC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000450564094 389997339 /nfs/dbraw/zinc/99/73/39/389997339.db2.gz UQRGDCZOGMWTTH-ZFWWWQNUSA-N 2 2 297.443 0.774 20 0 CCADLP CC[C@H](O)CC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000450564094 389997340 /nfs/dbraw/zinc/99/73/40/389997340.db2.gz UQRGDCZOGMWTTH-ZFWWWQNUSA-N 2 2 297.443 0.774 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)n(C)n1 ZINC000420405431 389997464 /nfs/dbraw/zinc/99/74/64/389997464.db2.gz MVSDJIKWUPNVSG-ZYHUDNBSSA-N 2 2 279.388 0.584 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)n(C)n1 ZINC000420405431 389997467 /nfs/dbraw/zinc/99/74/67/389997467.db2.gz MVSDJIKWUPNVSG-ZYHUDNBSSA-N 2 2 279.388 0.584 20 0 CCADLP CC[C@@H](Cn1cncn1)[NH2+]C[C@@H]1CCC[N@@H+]1CCOC ZINC000438834381 390010667 /nfs/dbraw/zinc/01/06/67/390010667.db2.gz SEEPVPNASWDGDP-KBPBESRZSA-N 2 2 281.404 0.757 20 0 CCADLP CC[C@@H](Cn1cncn1)[NH2+]C[C@@H]1CCC[N@H+]1CCOC ZINC000438834381 390010669 /nfs/dbraw/zinc/01/06/69/390010669.db2.gz SEEPVPNASWDGDP-KBPBESRZSA-N 2 2 281.404 0.757 20 0 CCADLP CCC[N@H+](C)C[C@H]1CC[NH+](CCN2C(=O)N[C@H](C)C2=O)C1 ZINC000459347718 390072923 /nfs/dbraw/zinc/07/29/23/390072923.db2.gz CVRBCOMQXXYJFM-CHWSQXEVSA-N 2 2 296.415 0.590 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CCN2C(=O)N[C@H](C)C2=O)C1 ZINC000459347718 390072924 /nfs/dbraw/zinc/07/29/24/390072924.db2.gz CVRBCOMQXXYJFM-CHWSQXEVSA-N 2 2 296.415 0.590 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@H+](CCN2C(=O)N[C@H](C)C2=O)C1 ZINC000459347718 390072925 /nfs/dbraw/zinc/07/29/25/390072925.db2.gz CVRBCOMQXXYJFM-CHWSQXEVSA-N 2 2 296.415 0.590 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CCN2C(=O)N[C@H](C)C2=O)C1 ZINC000459347718 390072926 /nfs/dbraw/zinc/07/29/26/390072926.db2.gz CVRBCOMQXXYJFM-CHWSQXEVSA-N 2 2 296.415 0.590 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CCN2C(=O)N[C@H](C)C2=O)C1 ZINC000459359510 390073447 /nfs/dbraw/zinc/07/34/47/390073447.db2.gz QWKDLNFBCHNTJT-OLZOCXBDSA-N 2 2 296.415 0.590 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCN2C(=O)N[C@H](C)C2=O)C1 ZINC000459359510 390073448 /nfs/dbraw/zinc/07/34/48/390073448.db2.gz QWKDLNFBCHNTJT-OLZOCXBDSA-N 2 2 296.415 0.590 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000487732417 390089588 /nfs/dbraw/zinc/08/95/88/390089588.db2.gz RQTOCBUYMHTORM-BARDWOONSA-N 2 2 295.427 0.506 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000487732417 390089589 /nfs/dbraw/zinc/08/95/89/390089589.db2.gz RQTOCBUYMHTORM-BARDWOONSA-N 2 2 295.427 0.506 20 0 CCADLP C[NH+](C)CC(C)(C)NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000458789803 390063356 /nfs/dbraw/zinc/06/33/56/390063356.db2.gz NLEGHGUGKUZSDB-SNVBAGLBSA-N 2 2 279.388 0.906 20 0 CCADLP C[NH+](C)CC(C)(C)NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000458789803 390063357 /nfs/dbraw/zinc/06/33/57/390063357.db2.gz NLEGHGUGKUZSDB-SNVBAGLBSA-N 2 2 279.388 0.906 20 0 CCADLP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)CCn1cc[nH+]c1 ZINC000647832651 390184844 /nfs/dbraw/zinc/18/48/44/390184844.db2.gz CGIODFFTZUKLCO-VXGBXAGGSA-N 2 2 250.346 0.824 20 0 CCADLP Cc1ccc(/C=C\C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000493395996 390124760 /nfs/dbraw/zinc/12/47/60/390124760.db2.gz DRZYJGNKCUEHLU-GXMNPTEKSA-N 2 2 274.368 0.505 20 0 CCADLP Cc1ccc(/C=C\C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000493395996 390124761 /nfs/dbraw/zinc/12/47/61/390124761.db2.gz DRZYJGNKCUEHLU-GXMNPTEKSA-N 2 2 274.368 0.505 20 0 CCADLP C[C@H](C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CC(C)C1 ZINC000579023250 390136423 /nfs/dbraw/zinc/13/64/23/390136423.db2.gz LDZXCKPSZBSOLX-QLFBSQMISA-N 2 2 297.443 0.894 20 0 CCADLP C[C@H](C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CC(C)C1 ZINC000579023250 390136424 /nfs/dbraw/zinc/13/64/24/390136424.db2.gz LDZXCKPSZBSOLX-QLFBSQMISA-N 2 2 297.443 0.894 20 0 CCADLP O=C(CC[C@@H]1CCC[NH2+]1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000494647248 390188883 /nfs/dbraw/zinc/18/88/83/390188883.db2.gz HUTSMXUQSJDRFA-ZDUSSCGKSA-N 2 2 291.399 0.586 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+](C)Cc1nnc2n1CCC2 ZINC000535746978 390150459 /nfs/dbraw/zinc/15/04/59/390150459.db2.gz GJNYJEKOXHOHCK-UHFFFAOYSA-N 2 2 260.345 0.861 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+](C)Cc1nnc2n1CCC2 ZINC000535746978 390150461 /nfs/dbraw/zinc/15/04/61/390150461.db2.gz GJNYJEKOXHOHCK-UHFFFAOYSA-N 2 2 260.345 0.861 20 0 CCADLP Cc1nc(N2CC[C@H]([NH+](C)C)[C@H]2C)nc(N(C)C)[nH+]1 ZINC000647843851 390189664 /nfs/dbraw/zinc/18/96/64/390189664.db2.gz IIBQWGFLXVVOSF-KOLCDFICSA-N 2 2 264.377 0.775 20 0 CCADLP CNC(=O)NC(=O)CC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536068145 390156978 /nfs/dbraw/zinc/15/69/78/390156978.db2.gz SXZQGFWQCNXWOZ-JTQLQIEISA-N 2 2 279.344 0.055 20 0 CCADLP CNC(=O)NC(=O)CC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536068145 390156980 /nfs/dbraw/zinc/15/69/80/390156980.db2.gz SXZQGFWQCNXWOZ-JTQLQIEISA-N 2 2 279.344 0.055 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2cn3ccsc3n2)[C@@H](C[NH3+])C1 ZINC000579351165 390164182 /nfs/dbraw/zinc/16/41/82/390164182.db2.gz CWQFRJUNGTYHPI-NSHDSACASA-N 2 2 293.396 0.040 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2cn3ccsc3n2)[C@@H](C[NH3+])C1 ZINC000579351165 390164183 /nfs/dbraw/zinc/16/41/83/390164183.db2.gz CWQFRJUNGTYHPI-NSHDSACASA-N 2 2 293.396 0.040 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC2CCCC2)[C@H](C[NH3+])C1 ZINC000579451510 390172918 /nfs/dbraw/zinc/17/29/18/390172918.db2.gz AKXLUFMJDVREHW-GFCCVEGCSA-N 2 2 254.378 0.461 20 0 CCADLP Cc1[nH+]ccn1CCCN1CC[NH+](C[C@H](C)O)CC1 ZINC000494442561 390173676 /nfs/dbraw/zinc/17/36/76/390173676.db2.gz DYDBLOHPWMAMMV-ZDUSSCGKSA-N 2 2 266.389 0.580 20 0 CCADLP Cc1[nH+]ccn1CCC[NH+]1CCN(C[C@H](C)O)CC1 ZINC000494442561 390173680 /nfs/dbraw/zinc/17/36/80/390173680.db2.gz DYDBLOHPWMAMMV-ZDUSSCGKSA-N 2 2 266.389 0.580 20 0 CCADLP Cc1cc(C[C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)[nH]n1 ZINC000579464939 390175123 /nfs/dbraw/zinc/17/51/23/390175123.db2.gz AYIRIKQWPXHUQL-YGRLFVJLSA-N 2 2 266.389 0.694 20 0 CCADLP Cc1cc(C[C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)[nH]n1 ZINC000579464939 390175129 /nfs/dbraw/zinc/17/51/29/390175129.db2.gz AYIRIKQWPXHUQL-YGRLFVJLSA-N 2 2 266.389 0.694 20 0 CCADLP Cc1cc(C[C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)n[nH]1 ZINC000579464939 390175135 /nfs/dbraw/zinc/17/51/35/390175135.db2.gz AYIRIKQWPXHUQL-YGRLFVJLSA-N 2 2 266.389 0.694 20 0 CCADLP Cc1cc(C[C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)n[nH]1 ZINC000579464939 390175140 /nfs/dbraw/zinc/17/51/40/390175140.db2.gz AYIRIKQWPXHUQL-YGRLFVJLSA-N 2 2 266.389 0.694 20 0 CCADLP COCCC[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCS(=O)(=O)C1 ZINC000647873519 390202650 /nfs/dbraw/zinc/20/26/50/390202650.db2.gz VPOJKEYZNNZCNB-CHWSQXEVSA-N 2 2 290.429 0.122 20 0 CCADLP COCCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCS(=O)(=O)C1 ZINC000647873519 390202654 /nfs/dbraw/zinc/20/26/54/390202654.db2.gz VPOJKEYZNNZCNB-CHWSQXEVSA-N 2 2 290.429 0.122 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(c2nc[nH+]c3c2OCCN3)[C@@H](C)C1 ZINC000647877968 390204158 /nfs/dbraw/zinc/20/41/58/390204158.db2.gz KJIRXUHXUDOESU-WDEREUQCSA-N 2 2 293.371 0.172 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(c2nc[nH+]c3c2OCCN3)[C@@H](C)C1 ZINC000647877968 390204160 /nfs/dbraw/zinc/20/41/60/390204160.db2.gz KJIRXUHXUDOESU-WDEREUQCSA-N 2 2 293.371 0.172 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC(=O)Nc1ccccn1 ZINC000539715705 390208597 /nfs/dbraw/zinc/20/85/97/390208597.db2.gz OZVIWNMKTQTYLF-NEPJUHHUSA-N 2 2 262.357 0.950 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC(=O)Nc1ccccn1 ZINC000539715705 390208598 /nfs/dbraw/zinc/20/85/98/390208598.db2.gz OZVIWNMKTQTYLF-NEPJUHHUSA-N 2 2 262.357 0.950 20 0 CCADLP CC(C)c1noc(CCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000580071912 390217196 /nfs/dbraw/zinc/21/71/96/390217196.db2.gz SHNKZUPBPGDRGE-LLVKDONJSA-N 2 2 295.387 0.227 20 0 CCADLP CC(C)c1noc(CCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])n1 ZINC000580071912 390217197 /nfs/dbraw/zinc/21/71/97/390217197.db2.gz SHNKZUPBPGDRGE-LLVKDONJSA-N 2 2 295.387 0.227 20 0 CCADLP Cc1cccc(OCCNC(=O)C[N@H+](C)CCC[NH3+])c1 ZINC000647849401 390192630 /nfs/dbraw/zinc/19/26/30/390192630.db2.gz RSXDGEKIZUIGMA-UHFFFAOYSA-N 2 2 279.384 0.771 20 0 CCADLP Cc1cccc(OCCNC(=O)C[N@@H+](C)CCC[NH3+])c1 ZINC000647849401 390192635 /nfs/dbraw/zinc/19/26/35/390192635.db2.gz RSXDGEKIZUIGMA-UHFFFAOYSA-N 2 2 279.384 0.771 20 0 CCADLP C[N@H+](CCCCS(C)(=O)=O)CC(C)(C)C[NH3+] ZINC000647857571 390195320 /nfs/dbraw/zinc/19/53/20/390195320.db2.gz XYDCVIZUPXAICO-UHFFFAOYSA-N 2 2 250.408 0.728 20 0 CCADLP C[N@@H+](CCCCS(C)(=O)=O)CC(C)(C)C[NH3+] ZINC000647857571 390195321 /nfs/dbraw/zinc/19/53/21/390195321.db2.gz XYDCVIZUPXAICO-UHFFFAOYSA-N 2 2 250.408 0.728 20 0 CCADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCCN(C)C2=O)C1 ZINC000538708943 390197360 /nfs/dbraw/zinc/19/73/60/390197360.db2.gz FZQLHQFETSFJLR-STQMWFEESA-N 2 2 253.390 0.881 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCCN(C)C2=O)C1 ZINC000538708943 390197362 /nfs/dbraw/zinc/19/73/62/390197362.db2.gz FZQLHQFETSFJLR-STQMWFEESA-N 2 2 253.390 0.881 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCCN(C)C2=O)C1 ZINC000538708943 390197364 /nfs/dbraw/zinc/19/73/64/390197364.db2.gz FZQLHQFETSFJLR-STQMWFEESA-N 2 2 253.390 0.881 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCCN(C)C2=O)C1 ZINC000538708943 390197365 /nfs/dbraw/zinc/19/73/65/390197365.db2.gz FZQLHQFETSFJLR-STQMWFEESA-N 2 2 253.390 0.881 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000647865310 390197393 /nfs/dbraw/zinc/19/73/93/390197393.db2.gz FUXFTHXJZGYNAC-AAEUAGOBSA-N 3 2 252.362 0.630 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000647865310 390197396 /nfs/dbraw/zinc/19/73/96/390197396.db2.gz FUXFTHXJZGYNAC-AAEUAGOBSA-N 3 2 252.362 0.630 20 0 CCADLP COCCOC[C@@H](O)C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000644514968 390242191 /nfs/dbraw/zinc/24/21/91/390242191.db2.gz WNBXLRLXFOOOST-AWEZNQCLSA-N 2 2 293.367 0.490 20 0 CCADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)C(=O)N(C)C ZINC000644562703 390254258 /nfs/dbraw/zinc/25/42/58/390254258.db2.gz JZKZODKMKQIKLM-DZGCQCFKSA-N 2 2 293.411 0.546 20 0 CCADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C(=O)N(C)C ZINC000644562703 390254261 /nfs/dbraw/zinc/25/42/61/390254261.db2.gz JZKZODKMKQIKLM-DZGCQCFKSA-N 2 2 293.411 0.546 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCC2(F)CCC2)[C@H](C[NH3+])C1 ZINC000582052255 390254915 /nfs/dbraw/zinc/25/49/15/390254915.db2.gz AOMIVEAEMWVPAA-LLVKDONJSA-N 2 2 272.368 0.553 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCC2(F)CCC2)[C@H](C[NH3+])C1 ZINC000582052255 390254917 /nfs/dbraw/zinc/25/49/17/390254917.db2.gz AOMIVEAEMWVPAA-LLVKDONJSA-N 2 2 272.368 0.553 20 0 CCADLP CN1CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1=O ZINC000644572280 390256096 /nfs/dbraw/zinc/25/60/96/390256096.db2.gz YJDQFTFHXNXNMI-HUUCEWRRSA-N 2 2 291.395 0.300 20 0 CCADLP CN1CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1=O ZINC000644572280 390256098 /nfs/dbraw/zinc/25/60/98/390256098.db2.gz YJDQFTFHXNXNMI-HUUCEWRRSA-N 2 2 291.395 0.300 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(c2nc(C)no2)CC1 ZINC000582245989 390274119 /nfs/dbraw/zinc/27/41/19/390274119.db2.gz HHCJAYLYISCBHT-CYBMUJFWSA-N 2 2 268.361 0.528 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)C1([NH3+])Cc2ccccc2C1 ZINC000648149238 390312462 /nfs/dbraw/zinc/31/24/62/390312462.db2.gz AJYPRFMUHVVXDX-UHFFFAOYSA-N 2 2 284.363 0.875 20 0 CCADLP COC(=O)Cc1cc[nH+]c(NCC[C@H](C)[NH+](C)C)c1 ZINC000596430246 390369437 /nfs/dbraw/zinc/36/94/37/390369437.db2.gz KJEVRVQAMHJURX-NSHDSACASA-N 2 2 265.357 0.971 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCC[NH+](C)C ZINC000583943366 390326392 /nfs/dbraw/zinc/32/63/92/390326392.db2.gz HXSMWVCHFWYMKU-LLVKDONJSA-N 2 2 252.362 0.998 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCC[NH+](C)C ZINC000583943366 390326395 /nfs/dbraw/zinc/32/63/95/390326395.db2.gz HXSMWVCHFWYMKU-LLVKDONJSA-N 2 2 252.362 0.998 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)cc[nH+]1 ZINC000545404052 390327620 /nfs/dbraw/zinc/32/76/20/390327620.db2.gz UAWGRTGHBJWAKK-ZDUSSCGKSA-N 2 2 289.383 0.385 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)cc[nH+]1 ZINC000545404052 390327622 /nfs/dbraw/zinc/32/76/22/390327622.db2.gz UAWGRTGHBJWAKK-ZDUSSCGKSA-N 2 2 289.383 0.385 20 0 CCADLP CN1C(=O)C[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)c2ccccc21 ZINC000545867050 390332726 /nfs/dbraw/zinc/33/27/26/390332726.db2.gz LMVYCQDCPDMTCO-CJNGLKHVSA-N 2 2 289.379 0.750 20 0 CCADLP CN1C(=O)C[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c2ccccc21 ZINC000545867050 390332729 /nfs/dbraw/zinc/33/27/29/390332729.db2.gz LMVYCQDCPDMTCO-CJNGLKHVSA-N 2 2 289.379 0.750 20 0 CCADLP Cc1[nH+]ccn1CCCNc1cc[nH+]cc1C(N)=O ZINC000545875292 390333326 /nfs/dbraw/zinc/33/33/26/390333326.db2.gz OYLLNFUWLSGMGP-UHFFFAOYSA-N 2 2 259.313 0.610 20 0 CCADLP Nc1nc(NCCC[NH+]2CCOCC2)c2c([nH+]1)CCCC2 ZINC000645094196 390370010 /nfs/dbraw/zinc/37/00/10/390370010.db2.gz KHAQPRQUPQCSLP-UHFFFAOYSA-N 2 2 291.399 0.324 20 0 CCADLP COC(=O)CN1CCC([NH2+]CC[N@@H+]2CC[C@H](C)C2)CC1 ZINC000545949404 390337980 /nfs/dbraw/zinc/33/79/80/390337980.db2.gz UBYYLYAOQBWFOW-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP COC(=O)CN1CCC([NH2+]CC[N@H+]2CC[C@H](C)C2)CC1 ZINC000545949404 390337982 /nfs/dbraw/zinc/33/79/82/390337982.db2.gz UBYYLYAOQBWFOW-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)n1C ZINC000496341248 390344275 /nfs/dbraw/zinc/34/42/75/390344275.db2.gz JSEDOJYWZOMPFH-PWSUYJOCSA-N 2 2 293.371 0.416 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)n1C ZINC000496341248 390344281 /nfs/dbraw/zinc/34/42/81/390344281.db2.gz JSEDOJYWZOMPFH-PWSUYJOCSA-N 2 2 293.371 0.416 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@H]1c2ccccc2C[C@H]1O)C1CC1 ZINC000584470255 390347642 /nfs/dbraw/zinc/34/76/42/390347642.db2.gz RBXAIHHAVKCIOV-BMFZPTHFSA-N 2 2 276.380 0.689 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@H]1c2ccccc2C[C@H]1O)C1CC1 ZINC000584470255 390347645 /nfs/dbraw/zinc/34/76/45/390347645.db2.gz RBXAIHHAVKCIOV-BMFZPTHFSA-N 2 2 276.380 0.689 20 0 CCADLP C[C@@](O)(CO)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000643385537 390438448 /nfs/dbraw/zinc/43/84/48/390438448.db2.gz VNDCGHRQBMGXET-NSHDSACASA-N 2 2 284.322 0.736 20 0 CCADLP CC(C)(C)c1n[nH]cc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000517041225 390487993 /nfs/dbraw/zinc/48/79/93/390487993.db2.gz KDYSJKCMFKZPQD-NWDGAFQWSA-N 2 2 291.399 0.451 20 0 CCADLP CC(C)(C)c1n[nH]cc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000517041225 390487996 /nfs/dbraw/zinc/48/79/96/390487996.db2.gz KDYSJKCMFKZPQD-NWDGAFQWSA-N 2 2 291.399 0.451 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1[C@H](C)CCC[C@H]1CO ZINC000518790966 390494205 /nfs/dbraw/zinc/49/42/05/390494205.db2.gz SENGRHVYKSVJMF-RDBSUJKOSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1[C@H](C)CCC[C@H]1CO ZINC000518790966 390494210 /nfs/dbraw/zinc/49/42/10/390494210.db2.gz SENGRHVYKSVJMF-RDBSUJKOSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1[C@H](C)CCC[C@H]1CO ZINC000518790966 390494213 /nfs/dbraw/zinc/49/42/13/390494213.db2.gz SENGRHVYKSVJMF-RDBSUJKOSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1[C@H](C)CCC[C@H]1CO ZINC000518790966 390494217 /nfs/dbraw/zinc/49/42/17/390494217.db2.gz SENGRHVYKSVJMF-RDBSUJKOSA-N 2 2 274.405 0.161 20 0 CCADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC000519567397 390511292 /nfs/dbraw/zinc/51/12/92/390511292.db2.gz PDWXZCXBKJKSBC-ZDUSSCGKSA-N 2 2 299.415 0.328 20 0 CCADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC000519567397 390511295 /nfs/dbraw/zinc/51/12/95/390511295.db2.gz PDWXZCXBKJKSBC-ZDUSSCGKSA-N 2 2 299.415 0.328 20 0 CCADLP COC(=O)C[NH+]1CCC[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC000519567397 390511297 /nfs/dbraw/zinc/51/12/97/390511297.db2.gz PDWXZCXBKJKSBC-ZDUSSCGKSA-N 2 2 299.415 0.328 20 0 CCADLP COC(=O)C[NH+]1CCC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC000519567397 390511300 /nfs/dbraw/zinc/51/13/00/390511300.db2.gz PDWXZCXBKJKSBC-ZDUSSCGKSA-N 2 2 299.415 0.328 20 0 CCADLP CN(CCC[N@H+](C)Cc1cocn1)CC[NH+](C)C ZINC000554890377 390445445 /nfs/dbraw/zinc/44/54/45/390445445.db2.gz XIJWWCJNECWROX-UHFFFAOYSA-N 2 2 254.378 0.990 20 0 CCADLP CN(CCC[N@@H+](C)Cc1cocn1)CC[NH+](C)C ZINC000554890377 390445448 /nfs/dbraw/zinc/44/54/48/390445448.db2.gz XIJWWCJNECWROX-UHFFFAOYSA-N 2 2 254.378 0.990 20 0 CCADLP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000643462664 390448741 /nfs/dbraw/zinc/44/87/41/390448741.db2.gz AMGCWQXTGURRLG-UONOGXRCSA-N 3 2 255.406 0.814 20 0 CCADLP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000643462664 390448744 /nfs/dbraw/zinc/44/87/44/390448744.db2.gz AMGCWQXTGURRLG-UONOGXRCSA-N 3 2 255.406 0.814 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC(=O)Nc1ccccn1 ZINC000643469678 390450686 /nfs/dbraw/zinc/45/06/86/390450686.db2.gz ZSHNSLNFRBZPIB-NEPJUHHUSA-N 2 2 262.357 0.998 20 0 CCADLP OCC1CCC([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000643471212 390450708 /nfs/dbraw/zinc/45/07/08/390450708.db2.gz DGYGNXDEUSBGLY-MOQPVCNJSA-N 2 2 268.401 0.894 20 0 CCADLP C[C@@H](Nc1ccc(N(C)CCO)c[nH+]1)[C@@H]1CC[NH2+]C1 ZINC000643478603 390453425 /nfs/dbraw/zinc/45/34/25/390453425.db2.gz LIICLHIYIZFKOY-VXGBXAGGSA-N 2 2 264.373 0.920 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH2+]CCCS(C)(=O)=O)[C@@H](C)C1 ZINC000358036940 285376582 /nfs/dbraw/zinc/37/65/82/285376582.db2.gz LEWSDLCFZUKBEW-NWDGAFQWSA-N 2 2 262.419 0.741 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH2+]CCCS(C)(=O)=O)[C@@H](C)C1 ZINC000358036940 285376583 /nfs/dbraw/zinc/37/65/83/285376583.db2.gz LEWSDLCFZUKBEW-NWDGAFQWSA-N 2 2 262.419 0.741 20 0 CCADLP CCCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](C)C1 ZINC000648998093 390464175 /nfs/dbraw/zinc/46/41/75/390464175.db2.gz DKYCNCQRUHHRKF-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CCCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](C)C1 ZINC000648998093 390464179 /nfs/dbraw/zinc/46/41/79/390464179.db2.gz DKYCNCQRUHHRKF-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CCCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](C)C1 ZINC000648998093 390464183 /nfs/dbraw/zinc/46/41/83/390464183.db2.gz DKYCNCQRUHHRKF-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CCCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](C)C1 ZINC000648998093 390464186 /nfs/dbraw/zinc/46/41/86/390464186.db2.gz DKYCNCQRUHHRKF-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP [NH3+][C@@H](C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1CCC1 ZINC000643595221 390465176 /nfs/dbraw/zinc/46/51/76/390465176.db2.gz AOXUQGTVUMBYQA-GXTWGEPZSA-N 2 2 274.368 0.904 20 0 CCADLP CC[NH+](Cc1cnn(C)c1)C[C@@H](O)C[N@@H+](C)CC ZINC000565459991 390515990 /nfs/dbraw/zinc/51/59/90/390515990.db2.gz YEDYDJBMGQXSDN-ZDUSSCGKSA-N 2 2 254.378 0.555 20 0 CCADLP CC[NH+](Cc1cnn(C)c1)C[C@@H](O)C[N@H+](C)CC ZINC000565459991 390515994 /nfs/dbraw/zinc/51/59/94/390515994.db2.gz YEDYDJBMGQXSDN-ZDUSSCGKSA-N 2 2 254.378 0.555 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](CC)Cc1cnn(C)c1 ZINC000565459991 390515999 /nfs/dbraw/zinc/51/59/99/390515999.db2.gz YEDYDJBMGQXSDN-ZDUSSCGKSA-N 2 2 254.378 0.555 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](CC)Cc1cnn(C)c1 ZINC000565459991 390516002 /nfs/dbraw/zinc/51/60/02/390516002.db2.gz YEDYDJBMGQXSDN-ZDUSSCGKSA-N 2 2 254.378 0.555 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CC(=O)N3CCCC[C@H]23)n1C ZINC000514925781 390470741 /nfs/dbraw/zinc/47/07/41/390470741.db2.gz YCCFISQJTQVUKJ-CHWSQXEVSA-N 2 2 291.399 0.729 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@H]1C[C@@H]2CCCCN2C1=O)C1CC1 ZINC000516276922 390481602 /nfs/dbraw/zinc/48/16/02/390481602.db2.gz QLDCXLGEJSXHAH-MJBXVCDLSA-N 2 2 281.400 0.185 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@H]1C[C@@H]2CCCCN2C1=O)C1CC1 ZINC000516276922 390481604 /nfs/dbraw/zinc/48/16/04/390481604.db2.gz QLDCXLGEJSXHAH-MJBXVCDLSA-N 2 2 281.400 0.185 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC2CCC(F)(F)CC2)[C@H](C[NH3+])C1 ZINC000516554913 390482459 /nfs/dbraw/zinc/48/24/59/390482459.db2.gz ZDOASOJFHBRFOH-LLVKDONJSA-N 2 2 290.358 0.849 20 0 CCADLP C[N@H+]1CCN(C(=O)NC2CCC(F)(F)CC2)[C@H](C[NH3+])C1 ZINC000516554913 390482462 /nfs/dbraw/zinc/48/24/62/390482462.db2.gz ZDOASOJFHBRFOH-LLVKDONJSA-N 2 2 290.358 0.849 20 0 CCADLP CN(C)c1ncccc1C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000566106672 390578883 /nfs/dbraw/zinc/57/88/83/390578883.db2.gz WTZDMGRNSFVAEW-AWEZNQCLSA-N 2 2 278.400 0.692 20 0 CCADLP CN(C)c1ncccc1C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000566106672 390578887 /nfs/dbraw/zinc/57/88/87/390578887.db2.gz WTZDMGRNSFVAEW-AWEZNQCLSA-N 2 2 278.400 0.692 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCC[NH+]1CCCCC1 ZINC000520616730 390586076 /nfs/dbraw/zinc/58/60/76/390586076.db2.gz QAQCBOJAGQZKPN-AWEZNQCLSA-N 2 2 298.431 0.492 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCC[NH+]1CCCCC1 ZINC000520616730 390586078 /nfs/dbraw/zinc/58/60/78/390586078.db2.gz QAQCBOJAGQZKPN-AWEZNQCLSA-N 2 2 298.431 0.492 20 0 CCADLP C[NH+](C)C1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000649209320 390522985 /nfs/dbraw/zinc/52/29/85/390522985.db2.gz OFTKTJDESOQWOQ-LBPRGKRZSA-N 2 2 276.384 0.998 20 0 CCADLP Cc1[nH]c(CNC[C@@H]2CCC[N@@H+]2CCCO)[nH+]c1C ZINC000565610358 390529732 /nfs/dbraw/zinc/52/97/32/390529732.db2.gz RMWQENXMVBHXGH-ZDUSSCGKSA-N 2 2 266.389 0.963 20 0 CCADLP Cc1[nH]c(CNC[C@@H]2CCC[N@H+]2CCCO)[nH+]c1C ZINC000565610358 390529736 /nfs/dbraw/zinc/52/97/36/390529736.db2.gz RMWQENXMVBHXGH-ZDUSSCGKSA-N 2 2 266.389 0.963 20 0 CCADLP C[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000519706767 390532375 /nfs/dbraw/zinc/53/23/75/390532375.db2.gz OCNNPBORZXZYHC-ZIAGYGMSSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H](NC(=O)C[N@H+]1CCC(C)(C)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000519706767 390532380 /nfs/dbraw/zinc/53/23/80/390532380.db2.gz OCNNPBORZXZYHC-ZIAGYGMSSA-N 2 2 297.443 0.944 20 0 CCADLP Cc1ccsc1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000565704869 390536506 /nfs/dbraw/zinc/53/65/06/390536506.db2.gz GNHXDQFPESYCHJ-LLVKDONJSA-N 2 2 282.413 0.841 20 0 CCADLP Cc1ccsc1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000565704869 390536511 /nfs/dbraw/zinc/53/65/11/390536511.db2.gz GNHXDQFPESYCHJ-LLVKDONJSA-N 2 2 282.413 0.841 20 0 CCADLP C[NH+]1CCN(C(=O)c2ccccc2NC(=O)CC[NH3+])CC1 ZINC000649285669 390550442 /nfs/dbraw/zinc/55/04/42/390550442.db2.gz MOUAPJAXASOVMF-UHFFFAOYSA-N 2 2 290.367 0.362 20 0 CCADLP CC(C)[NH2+]CCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645977487 390555650 /nfs/dbraw/zinc/55/56/50/390555650.db2.gz BXTCHCNBIOOCBI-CQSZACIVSA-N 3 2 296.459 0.659 20 0 CCADLP CC(C)[NH2+]CCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645977487 390555654 /nfs/dbraw/zinc/55/56/54/390555654.db2.gz BXTCHCNBIOOCBI-CQSZACIVSA-N 3 2 296.459 0.659 20 0 CCADLP Cc1nc(N2CCN(C(=O)CC[C@@H](C)[NH3+])CC2)cc[nH+]1 ZINC000565949224 390560805 /nfs/dbraw/zinc/56/08/05/390560805.db2.gz SCHLIYNRCGLCQH-LLVKDONJSA-N 2 2 277.372 0.561 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCCN(c2nc(C)ns2)CC1 ZINC000565955541 390562724 /nfs/dbraw/zinc/56/27/24/390562724.db2.gz KBKKBYKXRVWMAZ-ZDUSSCGKSA-N 2 2 299.444 0.329 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCCN(c2nc(C)ns2)CC1 ZINC000565955541 390562728 /nfs/dbraw/zinc/56/27/28/390562728.db2.gz KBKKBYKXRVWMAZ-ZDUSSCGKSA-N 2 2 299.444 0.329 20 0 CCADLP CC1(OCC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C[NH2+]C1 ZINC000649302526 390563005 /nfs/dbraw/zinc/56/30/05/390563005.db2.gz WUCBQMUZTQFJFM-NSHDSACASA-N 2 2 278.356 0.494 20 0 CCADLP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000649319698 390577438 /nfs/dbraw/zinc/57/74/38/390577438.db2.gz RGGJYWCLUKLBBD-KBXIAJHMSA-N 2 2 293.411 0.165 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000649320560 390577604 /nfs/dbraw/zinc/57/76/04/390577604.db2.gz LRWSPNHFVUTQDO-CHWSQXEVSA-N 2 2 269.389 0.356 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000649320560 390577607 /nfs/dbraw/zinc/57/76/07/390577607.db2.gz LRWSPNHFVUTQDO-CHWSQXEVSA-N 2 2 269.389 0.356 20 0 CCADLP Cc1[nH+]cc(CNC[C@@H]2C[N@H+](C)CCN2C)n1C ZINC000522014230 390621805 /nfs/dbraw/zinc/62/18/05/390621805.db2.gz LXLRDRQHOFRWMK-CYBMUJFWSA-N 2 2 251.378 0.064 20 0 CCADLP Cc1[nH+]cc(CNC[C@@H]2C[N@@H+](C)CCN2C)n1C ZINC000522014230 390621811 /nfs/dbraw/zinc/62/18/11/390621811.db2.gz LXLRDRQHOFRWMK-CYBMUJFWSA-N 2 2 251.378 0.064 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000522146949 390627282 /nfs/dbraw/zinc/62/72/82/390627282.db2.gz HAWFUVDLBTUPHR-LBPRGKRZSA-N 2 2 269.389 0.165 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000522146949 390627287 /nfs/dbraw/zinc/62/72/87/390627287.db2.gz HAWFUVDLBTUPHR-LBPRGKRZSA-N 2 2 269.389 0.165 20 0 CCADLP C[NH+]1CC[C@H](C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000522146949 390627292 /nfs/dbraw/zinc/62/72/92/390627292.db2.gz HAWFUVDLBTUPHR-LBPRGKRZSA-N 2 2 269.389 0.165 20 0 CCADLP C[NH+]1CC[C@H](C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000522146949 390627297 /nfs/dbraw/zinc/62/72/97/390627297.db2.gz HAWFUVDLBTUPHR-LBPRGKRZSA-N 2 2 269.389 0.165 20 0 CCADLP CCOC(=O)[C@@](C)(O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000566540851 390627419 /nfs/dbraw/zinc/62/74/19/390627419.db2.gz LOGVZDOPHRFEHL-FZMZJTMJSA-N 2 2 281.356 0.524 20 0 CCADLP CCOC(=O)[C@@](C)(O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000566540851 390627423 /nfs/dbraw/zinc/62/74/23/390627423.db2.gz LOGVZDOPHRFEHL-FZMZJTMJSA-N 2 2 281.356 0.524 20 0 CCADLP C[C@@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C[NH+]1CCCC1 ZINC000566550753 390628233 /nfs/dbraw/zinc/62/82/33/390628233.db2.gz LQAVYJJORMKOKK-KBPBESRZSA-N 3 2 297.447 0.003 20 0 CCADLP C[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C[NH+]1CCCC1 ZINC000566550753 390628238 /nfs/dbraw/zinc/62/82/38/390628238.db2.gz LQAVYJJORMKOKK-KBPBESRZSA-N 3 2 297.447 0.003 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCOCC(F)F)C[C@H](C)O1 ZINC000566733534 390641228 /nfs/dbraw/zinc/64/12/28/390641228.db2.gz DHESZEUZMKFOBG-GRYCIOLGSA-N 2 2 296.358 0.328 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCOCC(F)F)C[C@H](C)O1 ZINC000566733534 390641229 /nfs/dbraw/zinc/64/12/29/390641229.db2.gz DHESZEUZMKFOBG-GRYCIOLGSA-N 2 2 296.358 0.328 20 0 CCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)COCC[NH3+] ZINC000646255370 390649883 /nfs/dbraw/zinc/64/98/83/390649883.db2.gz JRGKSRUHXCAFIO-UHFFFAOYSA-N 2 2 294.355 0.140 20 0 CCADLP C[C@@H]1NC(=O)N(CC[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1=O ZINC000566415119 390599452 /nfs/dbraw/zinc/59/94/52/390599452.db2.gz XDOJSRJWNSAUOJ-QWRGUYRKSA-N 2 2 291.355 0.150 20 0 CCADLP C[C@@H]1NC(=O)N(CC[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1=O ZINC000566415119 390599455 /nfs/dbraw/zinc/59/94/55/390599455.db2.gz XDOJSRJWNSAUOJ-QWRGUYRKSA-N 2 2 291.355 0.150 20 0 CCADLP COC[C@H]1C[N@H+](CCCc2c[nH+]cn2C)CCO1 ZINC000566922316 390660018 /nfs/dbraw/zinc/66/00/18/390660018.db2.gz AAXCBKFIMYHOTH-CYBMUJFWSA-N 2 2 253.346 0.700 20 0 CCADLP COC[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)CCO1 ZINC000566922316 390660019 /nfs/dbraw/zinc/66/00/19/390660019.db2.gz AAXCBKFIMYHOTH-CYBMUJFWSA-N 2 2 253.346 0.700 20 0 CCADLP C[C@H](C[NH2+]CCCNc1cccc[nH+]1)S(C)(=O)=O ZINC000521612136 390611740 /nfs/dbraw/zinc/61/17/40/390611740.db2.gz JSFIHWRPEUGNKJ-LLVKDONJSA-N 2 2 271.386 0.906 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)NCCc2cn(C)c[nH+]2)CC[N@@H+]1C ZINC000567582159 390704395 /nfs/dbraw/zinc/70/43/95/390704395.db2.gz MTBFJPKWNPJJMN-AWEZNQCLSA-N 2 2 293.415 0.944 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)NCCc2cn(C)c[nH+]2)CC[N@H+]1C ZINC000567582159 390704397 /nfs/dbraw/zinc/70/43/97/390704397.db2.gz MTBFJPKWNPJJMN-AWEZNQCLSA-N 2 2 293.415 0.944 20 0 CCADLP COCC[NH2+]C1CC[NH+](Cc2ccnc(N)c2)CC1 ZINC000567595891 390705597 /nfs/dbraw/zinc/70/55/97/390705597.db2.gz RQQDWZUKWVQJLN-UHFFFAOYSA-N 2 2 264.373 0.695 20 0 CCADLP COCC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(OC)nc2)C1 ZINC000527793010 390721520 /nfs/dbraw/zinc/72/15/20/390721520.db2.gz GTKCSGSRWMFPMN-AWEZNQCLSA-N 2 2 279.384 0.943 20 0 CCADLP COCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(OC)nc2)C1 ZINC000527793010 390721522 /nfs/dbraw/zinc/72/15/22/390721522.db2.gz GTKCSGSRWMFPMN-AWEZNQCLSA-N 2 2 279.384 0.943 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000567060767 390669422 /nfs/dbraw/zinc/66/94/22/390669422.db2.gz CDADIJNGSBWYJL-GFCCVEGCSA-N 2 2 279.388 0.155 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N1CC(C[NH+]2CCOCC2)C1 ZINC000646357133 390672036 /nfs/dbraw/zinc/67/20/36/390672036.db2.gz PPQKZRZWXNNOMH-UHFFFAOYSA-N 2 2 292.383 0.454 20 0 CCADLP O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@H]1CC[NH2+]1 ZINC000646441018 390682433 /nfs/dbraw/zinc/68/24/33/390682433.db2.gz UFLACSRWIALPAE-XQQFMLRXSA-N 2 2 267.373 0.108 20 0 CCADLP Cc1nc(N2CCN(C(=O)C[C@@H]3CC[NH2+]C3)CC2)cc[nH+]1 ZINC000646481807 390687837 /nfs/dbraw/zinc/68/78/37/390687837.db2.gz QKQKDFCUGDFHQQ-ZDUSSCGKSA-N 2 2 289.383 0.433 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C[NH+](C)C ZINC000646607182 390699589 /nfs/dbraw/zinc/69/95/89/390699589.db2.gz MECZYQWUXPDYPU-VXGBXAGGSA-N 2 2 264.373 0.759 20 0 CCADLP C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC1=O ZINC000567492630 390701098 /nfs/dbraw/zinc/70/10/98/390701098.db2.gz IUGWPQUIOUGLSI-WVWOOGAGSA-N 2 2 281.400 0.040 20 0 CCADLP C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC1=O ZINC000567492630 390701100 /nfs/dbraw/zinc/70/11/00/390701100.db2.gz IUGWPQUIOUGLSI-WVWOOGAGSA-N 2 2 281.400 0.040 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000571895111 390758219 /nfs/dbraw/zinc/75/82/19/390758219.db2.gz OYUCABJIIIJISJ-AWEZNQCLSA-N 2 2 277.372 0.990 20 0 CCADLP COc1c(N)nc[nH+]c1N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000571895111 390758220 /nfs/dbraw/zinc/75/82/20/390758220.db2.gz OYUCABJIIIJISJ-AWEZNQCLSA-N 2 2 277.372 0.990 20 0 CCADLP COc1c(N)nc[nH+]c1N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000571895111 390758221 /nfs/dbraw/zinc/75/82/21/390758221.db2.gz OYUCABJIIIJISJ-AWEZNQCLSA-N 2 2 277.372 0.990 20 0 CCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000571911293 390758836 /nfs/dbraw/zinc/75/88/36/390758836.db2.gz AUNNZIYVLNVCOC-JQWIXIFHSA-N 2 2 258.325 0.949 20 0 CCADLP Cc1cc(NC(=O)NC2(C[NH3+])CCOCC2)cc[nH+]1 ZINC000528685577 390768238 /nfs/dbraw/zinc/76/82/38/390768238.db2.gz NMVOHWOIDXALAF-UHFFFAOYSA-N 2 2 264.329 0.441 20 0 CCADLP CSC[C@@H](O)C[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000572322434 390777991 /nfs/dbraw/zinc/77/79/91/390777991.db2.gz AOTARYHRZGSTCV-OCCSQVGLSA-N 2 2 288.457 0.895 20 0 CCADLP CSC[C@@H](O)C[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000572322434 390777993 /nfs/dbraw/zinc/77/79/93/390777993.db2.gz AOTARYHRZGSTCV-OCCSQVGLSA-N 2 2 288.457 0.895 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000529070156 390790475 /nfs/dbraw/zinc/79/04/75/390790475.db2.gz QLYXZRTWVBPLNT-CHWSQXEVSA-N 2 2 280.372 0.105 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)Cn2c[nH+]cc2C)CCO1 ZINC000529198192 390797635 /nfs/dbraw/zinc/79/76/35/390797635.db2.gz PCNILNSBEQNSST-ZDUSSCGKSA-N 2 2 280.372 0.419 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)Cn2c[nH+]cc2C)CCO1 ZINC000529198192 390797639 /nfs/dbraw/zinc/79/76/39/390797639.db2.gz PCNILNSBEQNSST-ZDUSSCGKSA-N 2 2 280.372 0.419 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000572854593 390807820 /nfs/dbraw/zinc/80/78/20/390807820.db2.gz HTPCLKLZIMYCPR-UHFFFAOYSA-N 2 2 250.346 0.813 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000572854593 390807823 /nfs/dbraw/zinc/80/78/23/390807823.db2.gz HTPCLKLZIMYCPR-UHFFFAOYSA-N 2 2 250.346 0.813 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000578404668 390881759 /nfs/dbraw/zinc/88/17/59/390881759.db2.gz ZFORMCWNCSEEAT-SOUVJXGZSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000578404668 390881760 /nfs/dbraw/zinc/88/17/60/390881760.db2.gz ZFORMCWNCSEEAT-SOUVJXGZSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000578404668 390881762 /nfs/dbraw/zinc/88/17/62/390881762.db2.gz ZFORMCWNCSEEAT-SOUVJXGZSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000578404668 390881763 /nfs/dbraw/zinc/88/17/63/390881763.db2.gz ZFORMCWNCSEEAT-SOUVJXGZSA-N 2 2 288.432 0.408 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2ccc3c(c2)CCO3)[C@H](C[NH3+])C1 ZINC000572999413 390818916 /nfs/dbraw/zinc/81/89/16/390818916.db2.gz WACFIEIEXQJOKJ-CQSZACIVSA-N 2 2 289.379 0.265 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2ccc3c(c2)CCO3)[C@H](C[NH3+])C1 ZINC000572999413 390818920 /nfs/dbraw/zinc/81/89/20/390818920.db2.gz WACFIEIEXQJOKJ-CQSZACIVSA-N 2 2 289.379 0.265 20 0 CCADLP CC(C)OCC[C@H](O)C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000647530171 390834320 /nfs/dbraw/zinc/83/43/20/390834320.db2.gz XYZDOAUKXVSNBE-CABCVRRESA-N 2 2 288.432 0.599 20 0 CCADLP CC(C)OCC[C@H](O)C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000647530171 390834325 /nfs/dbraw/zinc/83/43/25/390834325.db2.gz XYZDOAUKXVSNBE-CABCVRRESA-N 2 2 288.432 0.599 20 0 CCADLP Cc1[nH+]cc(C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)n1C ZINC000529669027 390849974 /nfs/dbraw/zinc/84/99/74/390849974.db2.gz RKAYHSDPRGSWDJ-OKILXGFUSA-N 2 2 267.373 0.541 20 0 CCADLP Cc1[nH+]cc(C[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)n1C ZINC000529669027 390849976 /nfs/dbraw/zinc/84/99/76/390849976.db2.gz RKAYHSDPRGSWDJ-OKILXGFUSA-N 2 2 267.373 0.541 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)N(C)Cc2c[nH+]c[nH]2)CC[NH2+]1 ZINC000577868063 390849980 /nfs/dbraw/zinc/84/99/80/390849980.db2.gz QUQCHYOQIJSXDB-UWVGGRQHSA-N 2 2 251.334 0.692 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)N(C)Cc2c[nH]c[nH+]2)CC[NH2+]1 ZINC000577868063 390849983 /nfs/dbraw/zinc/84/99/83/390849983.db2.gz QUQCHYOQIJSXDB-UWVGGRQHSA-N 2 2 251.334 0.692 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000577875344 390850838 /nfs/dbraw/zinc/85/08/38/390850838.db2.gz YJOBPKMXYIBGOR-UWVGGRQHSA-N 2 2 274.328 0.518 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCC2)[C@H](C)C1 ZINC000429805278 285395239 /nfs/dbraw/zinc/39/52/39/285395239.db2.gz HYJQICKRKUPWCW-OLZOCXBDSA-N 2 2 253.390 0.881 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCC2)[C@H](C)C1 ZINC000429805278 285395241 /nfs/dbraw/zinc/39/52/41/285395241.db2.gz HYJQICKRKUPWCW-OLZOCXBDSA-N 2 2 253.390 0.881 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCC2)[C@H](C)C1 ZINC000429805278 285395243 /nfs/dbraw/zinc/39/52/43/285395243.db2.gz HYJQICKRKUPWCW-OLZOCXBDSA-N 2 2 253.390 0.881 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCC2)[C@H](C)C1 ZINC000429805278 285395245 /nfs/dbraw/zinc/39/52/45/285395245.db2.gz HYJQICKRKUPWCW-OLZOCXBDSA-N 2 2 253.390 0.881 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCOC[C@@H]1C1CCC1)C1CC1 ZINC000578440634 390884277 /nfs/dbraw/zinc/88/42/77/390884277.db2.gz CMVBDZTXGWPJLX-LSDHHAIUSA-N 2 2 268.401 0.942 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCOC[C@@H]1C1CCC1)C1CC1 ZINC000578440634 390884279 /nfs/dbraw/zinc/88/42/79/390884279.db2.gz CMVBDZTXGWPJLX-LSDHHAIUSA-N 2 2 268.401 0.942 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCOC[C@@H]1C1CCC1)C1CC1 ZINC000578440634 390884282 /nfs/dbraw/zinc/88/42/82/390884282.db2.gz CMVBDZTXGWPJLX-LSDHHAIUSA-N 2 2 268.401 0.942 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCOC[C@@H]1C1CCC1)C1CC1 ZINC000578440634 390884283 /nfs/dbraw/zinc/88/42/83/390884283.db2.gz CMVBDZTXGWPJLX-LSDHHAIUSA-N 2 2 268.401 0.942 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000578903238 390907157 /nfs/dbraw/zinc/90/71/57/390907157.db2.gz ADCXOQHGRSWAEB-JTQLQIEISA-N 2 2 251.334 0.095 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000578903238 390907159 /nfs/dbraw/zinc/90/71/59/390907159.db2.gz ADCXOQHGRSWAEB-JTQLQIEISA-N 2 2 251.334 0.095 20 0 CCADLP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422763116 533381951 /nfs/dbraw/zinc/38/19/51/533381951.db2.gz OONBGYBPNXVPDG-HIFRSBDPSA-N 3 2 269.433 0.953 20 0 CCADLP COC(=O)CC[C@@H]([NH3+])C(=O)Nc1ccc(C)[nH+]c1C ZINC000342717580 533446123 /nfs/dbraw/zinc/44/61/23/533446123.db2.gz WGFPQODZZBRRSW-SNVBAGLBSA-N 2 2 265.313 0.917 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](C)[NH2+]C2CC2)[C@H](C)C1 ZINC000423860574 533423080 /nfs/dbraw/zinc/42/30/80/533423080.db2.gz NKPZYWWQSXTWEE-NEPJUHHUSA-N 2 2 297.399 0.223 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H](C)[NH2+]C2CC2)[C@H](C)C1 ZINC000423860574 533423085 /nfs/dbraw/zinc/42/30/85/533423085.db2.gz NKPZYWWQSXTWEE-NEPJUHHUSA-N 2 2 297.399 0.223 20 0 CCADLP CCC[NH+]1CCC([NH2+]Cc2cn(CC(=O)OC)nn2)CC1 ZINC000341885237 130110801 /nfs/dbraw/zinc/11/08/01/130110801.db2.gz LLCCZXSKAORCHA-UHFFFAOYSA-N 2 2 295.387 0.415 20 0 CCADLP Cc1cc(NC(=O)[C@@H](C)[NH2+]CC2([NH3+])CCC2)on1 ZINC000342134622 130292534 /nfs/dbraw/zinc/29/25/34/130292534.db2.gz KSYVAMFWMWVNIK-SECBINFHSA-N 2 2 252.318 0.781 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000192095959 130370932 /nfs/dbraw/zinc/37/09/32/130370932.db2.gz XXPKDJVYDJSHQO-NXEZZACHSA-N 2 2 250.346 0.747 20 0 CCADLP CCS(=O)(=O)C1(C[NH2+]C2CC[NH+](C)CC2)CC1 ZINC000657757637 413059263 /nfs/dbraw/zinc/05/92/63/413059263.db2.gz MIHPULJVVFTIMW-UHFFFAOYSA-N 2 2 260.403 0.638 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H](C)Cn2cncn2)C1 ZINC000657823753 413063027 /nfs/dbraw/zinc/06/30/27/413063027.db2.gz AZVSZCQGYKYBLX-KBPBESRZSA-N 2 2 281.404 0.613 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H](C)Cn2cncn2)C1 ZINC000657823753 413063030 /nfs/dbraw/zinc/06/30/30/413063030.db2.gz AZVSZCQGYKYBLX-KBPBESRZSA-N 2 2 281.404 0.613 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H]1COC2(CCC2)C1 ZINC000657880347 413071488 /nfs/dbraw/zinc/07/14/88/413071488.db2.gz WOLXXHZTQDXVDX-OLZOCXBDSA-N 2 2 253.390 0.533 20 0 CCADLP CCn1ncc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])n1 ZINC000530214146 285572067 /nfs/dbraw/zinc/57/20/67/285572067.db2.gz YOHPNBFNVJYQRN-ADEWGFFLSA-N 2 2 253.350 0.140 20 0 CCADLP OCc1ccc(F)c(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530217150 285572540 /nfs/dbraw/zinc/57/25/40/285572540.db2.gz GANPXDFPRHZGLS-OAHLLOKOSA-N 2 2 293.386 0.798 20 0 CCADLP O=C(C[C@H]1C[NH2+]CCO1)N1CCN(c2cccc[nH+]2)CC1 ZINC000091299051 135067697 /nfs/dbraw/zinc/06/76/97/135067697.db2.gz QJRPJVRPEPZHHI-ZDUSSCGKSA-N 2 2 290.367 0.109 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)NCc1ccc[nH+]c1N(C)C ZINC000262756636 285596214 /nfs/dbraw/zinc/59/62/14/285596214.db2.gz DNOBUAPOEQYHEJ-LLVKDONJSA-N 2 2 266.345 0.128 20 0 CCADLP CSC[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000575123667 335069583 /nfs/dbraw/zinc/06/95/83/335069583.db2.gz RWCLGYDPSMDGOD-RYUDHWBXSA-N 2 2 262.419 0.147 20 0 CCADLP CSC[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000575123667 335069584 /nfs/dbraw/zinc/06/95/84/335069584.db2.gz RWCLGYDPSMDGOD-RYUDHWBXSA-N 2 2 262.419 0.147 20 0 CCADLP C[C@H](CC(=O)N(C)C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658292113 413116789 /nfs/dbraw/zinc/11/67/89/413116789.db2.gz MAXZEOHCQOQALS-OCCSQVGLSA-N 2 2 283.416 0.696 20 0 CCADLP COCCCNC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746881 397393101 /nfs/dbraw/zinc/39/31/01/397393101.db2.gz WTIMXKBNMIARFL-FUNVUKJBSA-N 2 2 269.389 0.354 20 0 CCADLP COCCCNC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746881 397393105 /nfs/dbraw/zinc/39/31/05/397393105.db2.gz WTIMXKBNMIARFL-FUNVUKJBSA-N 2 2 269.389 0.354 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2[C@H]3CCCO[C@H]32)CC1 ZINC000356605008 144018672 /nfs/dbraw/zinc/01/86/72/144018672.db2.gz FRPGHSNUPVPDSI-RBSFLKMASA-N 2 2 295.427 0.554 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)[C@@H]1CCCOC1 ZINC000356893129 144041886 /nfs/dbraw/zinc/04/18/86/144041886.db2.gz IFPGJFFJMRAJRN-BFHYXJOUSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)[C@@H]1CCCOC1 ZINC000356893129 144041887 /nfs/dbraw/zinc/04/18/87/144041887.db2.gz IFPGJFFJMRAJRN-BFHYXJOUSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)[C@H]1CCCOC1 ZINC000356893131 144041889 /nfs/dbraw/zinc/04/18/89/144041889.db2.gz IFPGJFFJMRAJRN-MELADBBJSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)[C@H]1CCCOC1 ZINC000356893131 144041890 /nfs/dbraw/zinc/04/18/90/144041890.db2.gz IFPGJFFJMRAJRN-MELADBBJSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC000356902296 144042930 /nfs/dbraw/zinc/04/29/30/144042930.db2.gz QQQCLSMIKPRYMM-CHWSQXEVSA-N 2 2 269.389 0.165 20 0 CCADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)NCC1CCC1 ZINC000357080619 144057569 /nfs/dbraw/zinc/05/75/69/144057569.db2.gz FIRPWPNXQKMABK-QWHCGFSZSA-N 2 2 251.374 0.444 20 0 CCADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)NCC1CCC1 ZINC000357080619 144057570 /nfs/dbraw/zinc/05/75/70/144057570.db2.gz FIRPWPNXQKMABK-QWHCGFSZSA-N 2 2 251.374 0.444 20 0 CCADLP NC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357078027 144058037 /nfs/dbraw/zinc/05/80/37/144058037.db2.gz KCIZXCZPLMOEQD-IHRRRGAJSA-N 2 2 259.353 0.754 20 0 CCADLP NC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357078027 144058038 /nfs/dbraw/zinc/05/80/38/144058038.db2.gz KCIZXCZPLMOEQD-IHRRRGAJSA-N 2 2 259.353 0.754 20 0 CCADLP CCN(CC)C(=O)[C@@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357653517 144109469 /nfs/dbraw/zinc/10/94/69/144109469.db2.gz XDRUITOXRQALET-CYBMUJFWSA-N 2 2 285.432 0.632 20 0 CCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357653517 144109471 /nfs/dbraw/zinc/10/94/71/144109471.db2.gz XDRUITOXRQALET-CYBMUJFWSA-N 2 2 285.432 0.632 20 0 CCADLP COCC(=O)N1CCC([NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000358018310 144142700 /nfs/dbraw/zinc/14/27/00/144142700.db2.gz ALNOVQLYVVPNOP-WCQYABFASA-N 2 2 269.389 0.164 20 0 CCADLP COCC(=O)N1CCC([NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000358018310 144142701 /nfs/dbraw/zinc/14/27/01/144142701.db2.gz ALNOVQLYVVPNOP-WCQYABFASA-N 2 2 269.389 0.164 20 0 CCADLP C[NH+]1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC000358601879 144166133 /nfs/dbraw/zinc/16/61/33/144166133.db2.gz NHEJYFWXZHMQGL-UHFFFAOYSA-N 2 2 269.389 0.263 20 0 CCADLP C[C@@H]1C[NH+](CCOC2CC[NH+](CC(N)=O)CC2)C[C@@H](C)O1 ZINC000358870061 144184125 /nfs/dbraw/zinc/18/41/25/144184125.db2.gz GZIZGSQZEIUIRO-CHWSQXEVSA-N 2 2 299.415 0.062 20 0 CCADLP COCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368926528 144249483 /nfs/dbraw/zinc/24/94/83/144249483.db2.gz XVSBWFPLFXWMIS-AWEZNQCLSA-N 2 2 298.431 0.443 20 0 CCADLP COCCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368926528 144249484 /nfs/dbraw/zinc/24/94/84/144249484.db2.gz XVSBWFPLFXWMIS-AWEZNQCLSA-N 2 2 298.431 0.443 20 0 CCADLP CCN(C)C(=O)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000369187572 144258077 /nfs/dbraw/zinc/25/80/77/144258077.db2.gz JYBGNBUZMBREDX-OAHLLOKOSA-N 2 2 296.459 0.567 20 0 CCADLP CCN(C)C(=O)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000369187572 144258078 /nfs/dbraw/zinc/25/80/78/144258078.db2.gz JYBGNBUZMBREDX-OAHLLOKOSA-N 2 2 296.459 0.567 20 0 CCADLP Cn1cccc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369273590 144261262 /nfs/dbraw/zinc/26/12/62/144261262.db2.gz HUKCOTGWNNTMKA-CYBMUJFWSA-N 2 2 290.411 0.923 20 0 CCADLP Cn1cccc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369273590 144261264 /nfs/dbraw/zinc/26/12/64/144261264.db2.gz HUKCOTGWNNTMKA-CYBMUJFWSA-N 2 2 290.411 0.923 20 0 CCADLP Cn1nccc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369278907 144262352 /nfs/dbraw/zinc/26/23/52/144262352.db2.gz UGPZOSAUFAJLIR-GFCCVEGCSA-N 2 2 291.399 0.318 20 0 CCADLP Cn1nccc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369278907 144262353 /nfs/dbraw/zinc/26/23/53/144262353.db2.gz UGPZOSAUFAJLIR-GFCCVEGCSA-N 2 2 291.399 0.318 20 0 CCADLP C[N@@H+](CC(=O)NCc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000382747776 397491398 /nfs/dbraw/zinc/49/13/98/397491398.db2.gz ASOSIKFKBOYYOR-AWEZNQCLSA-N 2 2 261.369 0.844 20 0 CCADLP C[N@H+](CC(=O)NCc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000382747776 397491402 /nfs/dbraw/zinc/49/14/02/397491402.db2.gz ASOSIKFKBOYYOR-AWEZNQCLSA-N 2 2 261.369 0.844 20 0 CCADLP CCC[C@H](C[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1)OC ZINC000381249756 397486003 /nfs/dbraw/zinc/48/60/03/397486003.db2.gz UKHNENBPMFCDSI-CQSZACIVSA-N 2 2 285.432 0.944 20 0 CCADLP C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371400188 144330906 /nfs/dbraw/zinc/33/09/06/144330906.db2.gz DOQKIPWFRSFWLK-KCQAQPDRSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371400188 144330907 /nfs/dbraw/zinc/33/09/07/144330907.db2.gz DOQKIPWFRSFWLK-KCQAQPDRSA-N 2 2 295.427 0.696 20 0 CCADLP O[C@H]1CCC[C@H]1[NH+]1CCN(CCCn2cc[nH+]c2)CC1 ZINC000371470858 144333099 /nfs/dbraw/zinc/33/30/99/144333099.db2.gz PAKLMLJIJILNMA-CABCVRRESA-N 2 2 278.400 0.804 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372989802 144388409 /nfs/dbraw/zinc/38/84/09/144388409.db2.gz MJTWJDHYVWLPLX-LBPRGKRZSA-N 2 2 284.404 0.638 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000372989802 144388411 /nfs/dbraw/zinc/38/84/11/144388411.db2.gz MJTWJDHYVWLPLX-LBPRGKRZSA-N 2 2 284.404 0.638 20 0 CCADLP CC(C)[C@@H](C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC000615549526 397586809 /nfs/dbraw/zinc/58/68/09/397586809.db2.gz WGHNDTICBIGBQO-GJZGRUSLSA-N 2 2 297.443 0.896 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](C[C@H](O)C2CCCCC2)CC1=O ZINC000649685802 397655723 /nfs/dbraw/zinc/65/57/23/397655723.db2.gz MQOZHNBWXMGVHG-HNNXBMFYSA-N 2 2 297.443 0.633 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](C[C@H](O)C2CCCCC2)CC1=O ZINC000649685802 397655726 /nfs/dbraw/zinc/65/57/26/397655726.db2.gz MQOZHNBWXMGVHG-HNNXBMFYSA-N 2 2 297.443 0.633 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](CCOC(C)(C)C)CC1=O ZINC000649685621 397655964 /nfs/dbraw/zinc/65/59/64/397655964.db2.gz HEEBRGMKCNRZIM-UHFFFAOYSA-N 2 2 271.405 0.507 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](CCOC(C)(C)C)CC1=O ZINC000649685621 397655967 /nfs/dbraw/zinc/65/59/67/397655967.db2.gz HEEBRGMKCNRZIM-UHFFFAOYSA-N 2 2 271.405 0.507 20 0 CCADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CCN3CC[NH2+]CC3)C2)[nH]1 ZINC000649411835 397606126 /nfs/dbraw/zinc/60/61/26/397606126.db2.gz IKWZMHYFDHJQBA-CYBMUJFWSA-N 3 2 263.389 0.494 20 0 CCADLP c1c[nH+]c([C@@H]2CCC[N@H+](CCN3CC[NH2+]CC3)C2)[nH]1 ZINC000649411835 397606127 /nfs/dbraw/zinc/60/61/27/397606127.db2.gz IKWZMHYFDHJQBA-CYBMUJFWSA-N 3 2 263.389 0.494 20 0 CCADLP C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000649414253 397608776 /nfs/dbraw/zinc/60/87/76/397608776.db2.gz OOGVVAFRJWZCRG-GJZGRUSLSA-N 2 2 294.443 0.224 20 0 CCADLP C[C@@H](C(=O)N1CCCC1)N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000649414253 397608777 /nfs/dbraw/zinc/60/87/77/397608777.db2.gz OOGVVAFRJWZCRG-GJZGRUSLSA-N 2 2 294.443 0.224 20 0 CCADLP CN(Cc1cnn(C)c1)C(=O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000649416147 397609324 /nfs/dbraw/zinc/60/93/24/397609324.db2.gz STQZJWMPIOZCGL-UHFFFAOYSA-N 2 2 279.388 0.192 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+]([C@H]2C=CCCC2)CC1=O ZINC000649688078 397656611 /nfs/dbraw/zinc/65/66/11/397656611.db2.gz QDTRAYDZNCEBOH-ZDUSSCGKSA-N 2 2 251.374 0.801 20 0 CCADLP C[NH+](C)CCN1CC[N@H+]([C@H]2C=CCCC2)CC1=O ZINC000649688078 397656614 /nfs/dbraw/zinc/65/66/14/397656614.db2.gz QDTRAYDZNCEBOH-ZDUSSCGKSA-N 2 2 251.374 0.801 20 0 CCADLP c1cn(CC[NH+]2CCC(Cn3cnnc3)CC2)c[nH+]1 ZINC000649785497 397668489 /nfs/dbraw/zinc/66/84/89/397668489.db2.gz HTJLICABPCZEAB-UHFFFAOYSA-N 2 2 260.345 0.887 20 0 CCADLP C[C@H](O)CNc1cc(NCCC2(C[NH3+])CC2)[nH+]cn1 ZINC000650302055 397710521 /nfs/dbraw/zinc/71/05/21/397710521.db2.gz RGTUSMLCYXCHLO-JTQLQIEISA-N 2 2 265.361 0.232 20 0 CCADLP C[C@H](O)CNc1cc(NCCC2(C[NH3+])CC2)nc[nH+]1 ZINC000650302055 397710523 /nfs/dbraw/zinc/71/05/23/397710523.db2.gz RGTUSMLCYXCHLO-JTQLQIEISA-N 2 2 265.361 0.232 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC000548192192 286015523 /nfs/dbraw/zinc/01/55/23/286015523.db2.gz MEUWGQFPPXXBAB-LLVKDONJSA-N 2 2 250.346 0.563 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC000548192192 286015525 /nfs/dbraw/zinc/01/55/25/286015525.db2.gz MEUWGQFPPXXBAB-LLVKDONJSA-N 2 2 250.346 0.563 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C[N@@H+]1C1CC1 ZINC000548256770 286020404 /nfs/dbraw/zinc/02/04/04/286020404.db2.gz BWRUONSTZGGZRT-MNOVXSKESA-N 2 2 262.357 0.704 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C[N@H+]1C1CC1 ZINC000548256770 286020405 /nfs/dbraw/zinc/02/04/05/286020405.db2.gz BWRUONSTZGGZRT-MNOVXSKESA-N 2 2 262.357 0.704 20 0 CCADLP C[N@H+](CC(=O)N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCSC1 ZINC000548311782 286025484 /nfs/dbraw/zinc/02/54/84/286025484.db2.gz DJCZATCTVGEZRM-NEPJUHHUSA-N 2 2 294.424 0.751 20 0 CCADLP C[N@@H+](CC(=O)N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCSC1 ZINC000548311782 286025485 /nfs/dbraw/zinc/02/54/85/286025485.db2.gz DJCZATCTVGEZRM-NEPJUHHUSA-N 2 2 294.424 0.751 20 0 CCADLP CC[C@@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)c1[nH]cc[nH+]1 ZINC000548734008 286063805 /nfs/dbraw/zinc/06/38/05/286063805.db2.gz IDPASPMOHLMTIS-VXGBXAGGSA-N 2 2 277.372 0.367 20 0 CCADLP CC[C@@H](NC(=O)[C@H]1C[N@H+]2CCN1CCC2)c1[nH]cc[nH+]1 ZINC000548734008 286063807 /nfs/dbraw/zinc/06/38/07/286063807.db2.gz IDPASPMOHLMTIS-VXGBXAGGSA-N 2 2 277.372 0.367 20 0 CCADLP Cc1cc(NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)cc[nH+]1 ZINC000551696180 286123812 /nfs/dbraw/zinc/12/38/12/286123812.db2.gz MCZQIOPAOVVNHW-ZDUSSCGKSA-N 2 2 260.341 0.140 20 0 CCADLP Cc1cc(NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)cc[nH+]1 ZINC000551696180 286123813 /nfs/dbraw/zinc/12/38/13/286123813.db2.gz MCZQIOPAOVVNHW-ZDUSSCGKSA-N 2 2 260.341 0.140 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000553092164 286180472 /nfs/dbraw/zinc/18/04/72/286180472.db2.gz CCRIQUXFOBDBDP-ZIAGYGMSSA-N 2 2 282.432 0.079 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334981950 289344472 /nfs/dbraw/zinc/34/44/72/289344472.db2.gz VFWXTMMNJSRRFN-BXUZGUMPSA-N 2 2 251.374 0.729 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334981950 289344477 /nfs/dbraw/zinc/34/44/77/289344477.db2.gz VFWXTMMNJSRRFN-BXUZGUMPSA-N 2 2 251.374 0.729 20 0 CCADLP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C[NH3+])CC1 ZINC000335015711 287143361 /nfs/dbraw/zinc/14/33/61/287143361.db2.gz QLSIUSYWHOIJOH-NSHDSACASA-N 2 2 265.332 0.990 20 0 CCADLP O=c1[nH]nc(C2CC[NH+](CCCn3cc[nH+]c3)CC2)o1 ZINC000284346786 196036709 /nfs/dbraw/zinc/03/67/09/196036709.db2.gz RORGTNWXADRBGK-UHFFFAOYSA-N 2 2 277.328 0.829 20 0 CCADLP O=C([C@H]1[NH2+]CCc2ccccc21)N1CC[NH+](CCO)CC1 ZINC000043512583 411628438 /nfs/dbraw/zinc/62/84/38/411628438.db2.gz XAWRQVMQZHMWNS-HNNXBMFYSA-N 2 2 289.379 0.010 20 0 CCADLP CC[C@H]1COC(C)(C)C[N@@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000403824520 411789319 /nfs/dbraw/zinc/78/93/19/411789319.db2.gz OSZCTYGBHIGIHL-KBPBESRZSA-N 2 2 288.432 0.815 20 0 CCADLP CC[C@H]1COC(C)(C)C[N@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000403824520 411789323 /nfs/dbraw/zinc/78/93/23/411789323.db2.gz OSZCTYGBHIGIHL-KBPBESRZSA-N 2 2 288.432 0.815 20 0 CCADLP CC[C@H]1COC(C)(C)C[NH+]1C[C@@H](O)C[N@H+](C)CCOC ZINC000403824520 411789328 /nfs/dbraw/zinc/78/93/28/411789328.db2.gz OSZCTYGBHIGIHL-KBPBESRZSA-N 2 2 288.432 0.815 20 0 CCADLP CC[C@H]1COC(C)(C)C[NH+]1C[C@@H](O)C[N@@H+](C)CCOC ZINC000403824520 411789333 /nfs/dbraw/zinc/78/93/33/411789333.db2.gz OSZCTYGBHIGIHL-KBPBESRZSA-N 2 2 288.432 0.815 20 0 CCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405521487 411804813 /nfs/dbraw/zinc/80/48/13/411804813.db2.gz JFXAMENTSDXEJB-JHJVBQTASA-N 2 2 271.405 0.587 20 0 CCADLP CCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405521487 411804816 /nfs/dbraw/zinc/80/48/16/411804816.db2.gz JFXAMENTSDXEJB-JHJVBQTASA-N 2 2 271.405 0.587 20 0 CCADLP COc1cc(C)[nH+]c(CN2CC([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000651977804 411971592 /nfs/dbraw/zinc/97/15/92/411971592.db2.gz BBAOMJVTUJRITA-CQSZACIVSA-N 2 2 277.368 0.649 20 0 CCADLP COc1cc(C)[nH+]c(CN2CC([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC000651977804 411971596 /nfs/dbraw/zinc/97/15/96/411971596.db2.gz BBAOMJVTUJRITA-CQSZACIVSA-N 2 2 277.368 0.649 20 0 CCADLP CCN1C[C@H](C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1=O ZINC000652015131 411978035 /nfs/dbraw/zinc/97/80/35/411978035.db2.gz VETRJBCSOVORAO-OBJOEFQTSA-N 2 2 265.401 0.927 20 0 CCADLP CCN1C[C@H](C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1=O ZINC000652015131 411978038 /nfs/dbraw/zinc/97/80/38/411978038.db2.gz VETRJBCSOVORAO-OBJOEFQTSA-N 2 2 265.401 0.927 20 0 CCADLP CCO[C@@H]1CN(C(=O)NCc2[nH+]ccn2CC)C[C@H]1C[NH3+] ZINC000652197048 412000588 /nfs/dbraw/zinc/00/05/88/412000588.db2.gz MOXFITQZSTZYDB-VXGBXAGGSA-N 2 2 295.387 0.408 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)NCCC1CC[NH2+]CC1 ZINC000652317387 412026584 /nfs/dbraw/zinc/02/65/84/412026584.db2.gz PJABJGHZCHSSNB-UHFFFAOYSA-N 2 2 279.388 0.951 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2C)C1 ZINC000652339466 412030938 /nfs/dbraw/zinc/03/09/38/412030938.db2.gz XAIXUBICDAXPKZ-KBPBESRZSA-N 3 2 266.389 0.799 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](n2cc[nH+]c2C)C1 ZINC000652339466 412030944 /nfs/dbraw/zinc/03/09/44/412030944.db2.gz XAIXUBICDAXPKZ-KBPBESRZSA-N 3 2 266.389 0.799 20 0 CCADLP C[C@H]1CCC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)[C@H]1CC[NH3+] ZINC000652355393 412036903 /nfs/dbraw/zinc/03/69/03/412036903.db2.gz XCYJNDQHTLCYPO-AAEUAGOBSA-N 2 2 289.383 0.972 20 0 CCADLP C[C@H]1CCC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)[C@H]1CC[NH3+] ZINC000652355393 412036909 /nfs/dbraw/zinc/03/69/09/412036909.db2.gz XCYJNDQHTLCYPO-AAEUAGOBSA-N 2 2 289.383 0.972 20 0 CCADLP Cn1nccc1[C@H]1COCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000652363547 412038943 /nfs/dbraw/zinc/03/89/43/412038943.db2.gz HLHZUOOZKGGGGF-GXTWGEPZSA-N 2 2 264.373 0.793 20 0 CCADLP Cn1nccc1[C@H]1COCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000652363547 412038945 /nfs/dbraw/zinc/03/89/45/412038945.db2.gz HLHZUOOZKGGGGF-GXTWGEPZSA-N 2 2 264.373 0.793 20 0 CCADLP COc1cccc(C(=O)N2CC[NH+](CCC[NH3+])CC2)c1 ZINC000020181756 171045386 /nfs/dbraw/zinc/04/53/86/171045386.db2.gz RVZOFHDDSDTXNF-UHFFFAOYSA-N 2 2 277.368 0.802 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@H](CCO)c1ccccc1 ZINC000653091020 412214357 /nfs/dbraw/zinc/21/43/57/412214357.db2.gz HAWBHDJVYHMPDQ-HUUCEWRRSA-N 2 2 293.411 0.548 20 0 CCADLP CN(C(=O)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CCCCC1 ZINC000653094963 412215123 /nfs/dbraw/zinc/21/51/23/412215123.db2.gz WLPSUVRXFOMMPK-ZDUSSCGKSA-N 2 2 298.431 0.173 20 0 CCADLP CN(C(=O)Cc1cn2c([nH+]1)CCCC2)C1CC[NH2+]CC1 ZINC000653045327 412198677 /nfs/dbraw/zinc/19/86/77/412198677.db2.gz COLRKPWVDLVBBW-UHFFFAOYSA-N 2 2 276.384 0.972 20 0 CCADLP C[NH2+]Cc1cccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000653045478 412199994 /nfs/dbraw/zinc/19/99/94/412199994.db2.gz QSFUJBURGSISND-CYBMUJFWSA-N 3 2 264.373 0.624 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)OCCO2 ZINC000653055963 412203373 /nfs/dbraw/zinc/20/33/73/412203373.db2.gz QLNBUUYMHCISEZ-LLVKDONJSA-N 2 2 279.340 0.675 20 0 CCADLP Cc1ccccc1CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653060595 412206070 /nfs/dbraw/zinc/20/60/70/412206070.db2.gz JBXUBNMNFLHDTA-AWEZNQCLSA-N 2 2 263.385 0.933 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCc1ccc2c(c1)OCO2 ZINC000653061407 412206161 /nfs/dbraw/zinc/20/61/61/412206161.db2.gz OCYNFGOJUMPIAP-LBPRGKRZSA-N 2 2 293.367 0.353 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1ccc2c(c1)CCO2 ZINC000653070934 412208592 /nfs/dbraw/zinc/20/85/92/412208592.db2.gz OJWXOBUBPSFSHG-CYBMUJFWSA-N 2 2 277.368 0.517 20 0 CCADLP CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1Cc2ccccc2C1 ZINC000653076774 412210569 /nfs/dbraw/zinc/21/05/69/412210569.db2.gz DPWHZDSVHDIYOY-OAHLLOKOSA-N 2 2 275.396 0.891 20 0 CCADLP CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C(C1CC1)C1CC1 ZINC000653082472 412211698 /nfs/dbraw/zinc/21/16/98/412211698.db2.gz WGIMHKFQQJZNPC-GFCCVEGCSA-N 2 2 253.390 0.912 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCCOc1ccc(F)cc1 ZINC000653080315 412211983 /nfs/dbraw/zinc/21/19/83/412211983.db2.gz BRJNUPAYYHPRMZ-CQSZACIVSA-N 2 2 297.374 0.990 20 0 CCADLP CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653090669 412214023 /nfs/dbraw/zinc/21/40/23/412214023.db2.gz XNYAAEDOZBAMSV-XQQFMLRXSA-N 2 2 298.431 0.029 20 0 CCADLP C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@H]1CC[NH3+] ZINC000653243372 412266607 /nfs/dbraw/zinc/26/66/07/412266607.db2.gz AYEYGHPZSVIMSG-AGIUHOORSA-N 3 2 270.421 0.241 20 0 CCADLP C[C@@H](COCC1CC1)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653255325 412272119 /nfs/dbraw/zinc/27/21/19/412272119.db2.gz OXPOHQUMWLLDBN-CMPLNLGQSA-N 2 2 257.378 0.197 20 0 CCADLP Cn1c2cccc(F)c2nc1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653098176 412217279 /nfs/dbraw/zinc/21/72/79/412217279.db2.gz DJXHPUDXGLTTRD-JTQLQIEISA-N 2 2 293.346 0.930 20 0 CCADLP CN(CCOCC1CC1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653099054 412218395 /nfs/dbraw/zinc/21/83/95/412218395.db2.gz CKDRYLXMOGDZNB-GFCCVEGCSA-N 2 2 257.378 0.150 20 0 CCADLP CN(CCOCc1ccccc1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653103703 412219669 /nfs/dbraw/zinc/21/96/69/412219669.db2.gz PSQHGZRIDFPVQP-OAHLLOKOSA-N 2 2 293.411 0.941 20 0 CCADLP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653106632 412219975 /nfs/dbraw/zinc/21/99/75/412219975.db2.gz GMUSICFSTGMPKD-UONOGXRCSA-N 3 2 284.448 0.646 20 0 CCADLP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653106632 412219978 /nfs/dbraw/zinc/21/99/78/412219978.db2.gz GMUSICFSTGMPKD-UONOGXRCSA-N 3 2 284.448 0.646 20 0 CCADLP CC(C)CO[C@H]1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653104585 412220045 /nfs/dbraw/zinc/22/00/45/412220045.db2.gz MBGYMDMVRDZLIF-QWHCGFSZSA-N 2 2 271.405 0.539 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)[C@@H]1CCC[NH2+]CC1 ZINC000653105201 412220369 /nfs/dbraw/zinc/22/03/69/412220369.db2.gz KLSYXMOXVHLNLZ-GFCCVEGCSA-N 2 2 250.346 0.779 20 0 CCADLP CC(C)C[C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)[NH+](C)C ZINC000653108123 412221613 /nfs/dbraw/zinc/22/16/13/412221613.db2.gz JPWGBIAYLYZLEF-OLZOCXBDSA-N 3 2 272.437 0.358 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653111590 412223669 /nfs/dbraw/zinc/22/36/69/412223669.db2.gz UGBAXYWSONOUBZ-NEPJUHHUSA-N 2 2 250.346 0.778 20 0 CCADLP Cc1ncc(CN(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)s1 ZINC000653112231 412223769 /nfs/dbraw/zinc/22/37/69/412223769.db2.gz RQQCMFWYKMEYQB-LLVKDONJSA-N 2 2 270.402 0.689 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC[N@H+](C)C1CCCC1 ZINC000653117148 412228455 /nfs/dbraw/zinc/22/84/55/412228455.db2.gz BLOCMNLJNWNBSE-CYBMUJFWSA-N 3 2 270.421 0.256 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000653117148 412228456 /nfs/dbraw/zinc/22/84/56/412228456.db2.gz BLOCMNLJNWNBSE-CYBMUJFWSA-N 3 2 270.421 0.256 20 0 CCADLP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653121756 412229134 /nfs/dbraw/zinc/22/91/34/412229134.db2.gz BBKKTGGFEBSCTB-KBPBESRZSA-N 3 2 284.448 0.598 20 0 CCADLP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653121756 412229137 /nfs/dbraw/zinc/22/91/37/412229137.db2.gz BBKKTGGFEBSCTB-KBPBESRZSA-N 3 2 284.448 0.598 20 0 CCADLP Cn1cnc2cc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)ccc21 ZINC000653121494 412229468 /nfs/dbraw/zinc/22/94/68/412229468.db2.gz WZHIQYHLHSQUOZ-NSHDSACASA-N 2 2 275.356 0.791 20 0 CCADLP CC[NH+]1CCC(CCNC(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653119837 412230268 /nfs/dbraw/zinc/23/02/68/412230268.db2.gz YFSWVOYXTXJXEZ-CQSZACIVSA-N 3 2 284.448 0.504 20 0 CCADLP O=C(N1CCC(c2c[nH+]c[nH]2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653120432 412230591 /nfs/dbraw/zinc/23/05/91/412230591.db2.gz QZIJLYYKUDOTGX-WFASDCNBSA-N 2 2 290.367 0.352 20 0 CCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)C[C@@H]1C ZINC000653122516 412232345 /nfs/dbraw/zinc/23/23/45/412232345.db2.gz YFLXMWMXFHSVQX-MELADBBJSA-N 3 2 284.448 0.597 20 0 CCADLP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)C[C@@H]1C ZINC000653122516 412232347 /nfs/dbraw/zinc/23/23/47/412232347.db2.gz YFLXMWMXFHSVQX-MELADBBJSA-N 3 2 284.448 0.597 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000653123063 412232860 /nfs/dbraw/zinc/23/28/60/412232860.db2.gz MRMGJXXBHPPMDB-CABCVRRESA-N 3 2 296.459 0.456 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000653123063 412232863 /nfs/dbraw/zinc/23/28/63/412232863.db2.gz MRMGJXXBHPPMDB-CABCVRRESA-N 3 2 296.459 0.456 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCc1ccc(F)c(F)c1 ZINC000653140281 412240050 /nfs/dbraw/zinc/24/00/50/412240050.db2.gz UCRQSSGURKFFEJ-ZDUSSCGKSA-N 2 2 285.338 0.903 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000653149102 412242064 /nfs/dbraw/zinc/24/20/64/412242064.db2.gz WZLNMXZDNMQROC-QWHCGFSZSA-N 3 2 270.421 0.208 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCc1ccccc1O ZINC000653148800 412242444 /nfs/dbraw/zinc/24/24/44/412242444.db2.gz MBSHHBSJFHDYIS-GFCCVEGCSA-N 2 2 265.357 0.330 20 0 CCADLP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653150890 412242808 /nfs/dbraw/zinc/24/28/08/412242808.db2.gz RMRPTHYKJJEKSX-STQMWFEESA-N 3 2 272.437 0.502 20 0 CCADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653150890 412242810 /nfs/dbraw/zinc/24/28/10/412242810.db2.gz RMRPTHYKJJEKSX-STQMWFEESA-N 3 2 272.437 0.502 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCc2cccc(F)c21 ZINC000653155522 412245634 /nfs/dbraw/zinc/24/56/34/412245634.db2.gz XFUKMDYPLULIGK-LBPRGKRZSA-N 2 2 265.332 0.994 20 0 CCADLP Cc1occc1CN(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653174243 412252114 /nfs/dbraw/zinc/25/21/14/412252114.db2.gz VDXNWJBQNOMXKA-LBPRGKRZSA-N 2 2 253.346 0.825 20 0 CCADLP Cc1nnc2n1CC[N@@H+](CCCc1c[nH+]cn1C)C2 ZINC000653550893 412315113 /nfs/dbraw/zinc/31/51/13/412315113.db2.gz SEBIPHDFZPKKNA-UHFFFAOYSA-N 2 2 260.345 0.768 20 0 CCADLP Cc1nnc2n1CC[N@H+](CCCc1c[nH+]cn1C)C2 ZINC000653550893 412315117 /nfs/dbraw/zinc/31/51/17/412315117.db2.gz SEBIPHDFZPKKNA-UHFFFAOYSA-N 2 2 260.345 0.768 20 0 CCADLP C[C@@H]1CC(=O)NCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000653593643 412321960 /nfs/dbraw/zinc/32/19/60/412321960.db2.gz JCEZAFVBOJMWIU-LLVKDONJSA-N 2 2 250.346 0.563 20 0 CCADLP C[C@@H]1CC(=O)NCC[N@H+]1CCCc1c[nH+]cn1C ZINC000653593643 412321962 /nfs/dbraw/zinc/32/19/62/412321962.db2.gz JCEZAFVBOJMWIU-LLVKDONJSA-N 2 2 250.346 0.563 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)Nc2ccon2)C1 ZINC000653592344 412322691 /nfs/dbraw/zinc/32/26/91/412322691.db2.gz WKLOOFQVRYDPRW-SNVBAGLBSA-N 2 2 275.312 0.258 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)Nc2ccon2)C1 ZINC000653592344 412322695 /nfs/dbraw/zinc/32/26/95/412322695.db2.gz WKLOOFQVRYDPRW-SNVBAGLBSA-N 2 2 275.312 0.258 20 0 CCADLP CCO[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)CCOC)C[C@@H]1C ZINC000653748684 412342191 /nfs/dbraw/zinc/34/21/91/412342191.db2.gz ZAQDPLOBENTOTD-RRFJBIMHSA-N 2 2 288.432 0.672 20 0 CCADLP CCO[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C[C@@H]1C ZINC000653748684 412342194 /nfs/dbraw/zinc/34/21/94/412342194.db2.gz ZAQDPLOBENTOTD-RRFJBIMHSA-N 2 2 288.432 0.672 20 0 CCADLP CCO[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)CCOC)C[C@@H]1C ZINC000653748684 412342196 /nfs/dbraw/zinc/34/21/96/412342196.db2.gz ZAQDPLOBENTOTD-RRFJBIMHSA-N 2 2 288.432 0.672 20 0 CCADLP CCO[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C[C@@H]1C ZINC000653748684 412342200 /nfs/dbraw/zinc/34/22/00/412342200.db2.gz ZAQDPLOBENTOTD-RRFJBIMHSA-N 2 2 288.432 0.672 20 0 CCADLP CCO[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)CCOC)C[C@H]1C ZINC000653748683 412342323 /nfs/dbraw/zinc/34/23/23/412342323.db2.gz ZAQDPLOBENTOTD-RBSFLKMASA-N 2 2 288.432 0.672 20 0 CCADLP CCO[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C[C@H]1C ZINC000653748683 412342325 /nfs/dbraw/zinc/34/23/25/412342325.db2.gz ZAQDPLOBENTOTD-RBSFLKMASA-N 2 2 288.432 0.672 20 0 CCADLP CCO[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)CCOC)C[C@H]1C ZINC000653748683 412342328 /nfs/dbraw/zinc/34/23/28/412342328.db2.gz ZAQDPLOBENTOTD-RBSFLKMASA-N 2 2 288.432 0.672 20 0 CCADLP CCO[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C[C@H]1C ZINC000653748683 412342330 /nfs/dbraw/zinc/34/23/30/412342330.db2.gz ZAQDPLOBENTOTD-RBSFLKMASA-N 2 2 288.432 0.672 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C2(O)CC2)CC1 ZINC000653778271 412344185 /nfs/dbraw/zinc/34/41/85/412344185.db2.gz PMDKWAQDPADACW-CQSZACIVSA-N 2 2 286.416 0.162 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C2(O)CC2)CC1 ZINC000653778271 412344186 /nfs/dbraw/zinc/34/41/86/412344186.db2.gz PMDKWAQDPADACW-CQSZACIVSA-N 2 2 286.416 0.162 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)OCC12CCC2 ZINC000653778915 412346584 /nfs/dbraw/zinc/34/65/84/412346584.db2.gz INJJSAZWRNTVLW-KBPBESRZSA-N 2 2 286.416 0.569 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)OCC12CCC2 ZINC000653778915 412346586 /nfs/dbraw/zinc/34/65/86/412346586.db2.gz INJJSAZWRNTVLW-KBPBESRZSA-N 2 2 286.416 0.569 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)OCC12CCC2 ZINC000653778915 412346588 /nfs/dbraw/zinc/34/65/88/412346588.db2.gz INJJSAZWRNTVLW-KBPBESRZSA-N 2 2 286.416 0.569 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)OCC12CCC2 ZINC000653778915 412346590 /nfs/dbraw/zinc/34/65/90/412346590.db2.gz INJJSAZWRNTVLW-KBPBESRZSA-N 2 2 286.416 0.569 20 0 CCADLP O=C(NCCc1cn2ccccc2[nH+]1)NCC12CC(C1)C[NH2+]2 ZINC000659431812 413492983 /nfs/dbraw/zinc/49/29/83/413492983.db2.gz ZWKRLUQSIWUYEE-UHFFFAOYSA-N 2 2 299.378 0.928 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N(C)CC(C)(C)[NH3+])[NH+]1CCOCC1 ZINC000659450081 413508201 /nfs/dbraw/zinc/50/82/01/413508201.db2.gz GPTGJOWVGOLIGG-NWDGAFQWSA-N 2 2 286.420 0.474 20 0 CCADLP C[C@@H](NC(=O)NCC1([NH3+])CCCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000659450543 413508421 /nfs/dbraw/zinc/50/84/21/413508421.db2.gz PEOXGGBPPULHKA-CHWSQXEVSA-N 2 2 298.431 0.666 20 0 CCADLP C[C@@H]1CCN(C(=O)NCc2[nH+]ccn2C)[C@H](C[NH3+])C1 ZINC000659449514 413511041 /nfs/dbraw/zinc/51/10/41/413511041.db2.gz HRFFXSKRFJVDAO-MNOVXSKESA-N 2 2 265.361 0.689 20 0 CCADLP O=C(NCC12CC(C1)C[NH2+]2)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000659494037 413546176 /nfs/dbraw/zinc/54/61/76/413546176.db2.gz MFRDRRBCMGGEDV-OPASDULOSA-N 2 2 275.356 0.318 20 0 CCADLP O=C(NCC12CC(C1)C[NH2+]2)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000659494037 413546182 /nfs/dbraw/zinc/54/61/82/413546182.db2.gz MFRDRRBCMGGEDV-OPASDULOSA-N 2 2 275.356 0.318 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659499540 413551504 /nfs/dbraw/zinc/55/15/04/413551504.db2.gz JVAQAYIZVQSYNI-UHFFFAOYSA-N 2 2 263.345 0.536 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659498886 413553108 /nfs/dbraw/zinc/55/31/08/413553108.db2.gz AXFZBBZUARBIBM-UHFFFAOYSA-N 2 2 263.345 0.454 20 0 CCADLP C[C@@H](NC(=O)NCC1CC[NH2+]CC1)c1[nH+]ccn1C ZINC000659508093 413566515 /nfs/dbraw/zinc/56/65/15/413566515.db2.gz RTURHVDUHXWMHB-SNVBAGLBSA-N 2 2 265.361 0.780 20 0 CCADLP C[NH+](C)CC(C)(C)C[NH2+]C1CCS(=O)(=O)CC1 ZINC000035652121 172328945 /nfs/dbraw/zinc/32/89/45/172328945.db2.gz KCXVLINEIBPNKU-UHFFFAOYSA-N 2 2 262.419 0.741 20 0 CCADLP CC(C)([NH3+])CNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000659522016 413595805 /nfs/dbraw/zinc/59/58/05/413595805.db2.gz ZFUOFRTVAJRXRC-UHFFFAOYSA-N 2 2 298.431 0.478 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659537185 413621355 /nfs/dbraw/zinc/62/13/55/413621355.db2.gz QQYZKLXAWSXVEP-RDBSUJKOSA-N 2 2 296.415 0.101 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659537182 413621528 /nfs/dbraw/zinc/62/15/28/413621528.db2.gz QQYZKLXAWSXVEP-MCIONIFRSA-N 2 2 296.415 0.101 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCc2ccoc2)[C@@H](C[NH3+])C1 ZINC000659593280 413677372 /nfs/dbraw/zinc/67/73/72/413677372.db2.gz KELLACGYPLDKOX-LBPRGKRZSA-N 2 2 266.345 0.106 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCc2ccoc2)[C@@H](C[NH3+])C1 ZINC000659593280 413677385 /nfs/dbraw/zinc/67/73/85/413677385.db2.gz KELLACGYPLDKOX-LBPRGKRZSA-N 2 2 266.345 0.106 20 0 CCADLP CO[C@@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C1CCCC1 ZINC000659611812 413698951 /nfs/dbraw/zinc/69/89/51/413698951.db2.gz OKSFFNPRVJLUNT-KBPBESRZSA-N 2 2 298.431 0.476 20 0 CCADLP CO[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C1CCCC1 ZINC000659611812 413698963 /nfs/dbraw/zinc/69/89/63/413698963.db2.gz OKSFFNPRVJLUNT-KBPBESRZSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H](NC(=O)N1CC[C@H]([NH3+])[C@@H]1C)c1[nH+]ccn1C ZINC000659628304 413723750 /nfs/dbraw/zinc/72/37/50/413723750.db2.gz OKVSMTPFXBWMTK-UTLUCORTSA-N 2 2 251.334 0.612 20 0 CCADLP C[C@@H](NC(=O)N1CCC[NH2+]CC1)c1[nH+]ccn1C ZINC000659627002 413723772 /nfs/dbraw/zinc/72/37/72/413723772.db2.gz FYAJGOZXSKCDFI-SNVBAGLBSA-N 2 2 251.334 0.486 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](OCCO)C1 ZINC000659930130 413979277 /nfs/dbraw/zinc/97/92/77/413979277.db2.gz BCBHRQSQZPOIKR-KGLIPLIRSA-N 2 2 274.405 0.161 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](OCCO)C1 ZINC000659930130 413979287 /nfs/dbraw/zinc/97/92/87/413979287.db2.gz BCBHRQSQZPOIKR-KGLIPLIRSA-N 2 2 274.405 0.161 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000659930130 413979294 /nfs/dbraw/zinc/97/92/94/413979294.db2.gz BCBHRQSQZPOIKR-KGLIPLIRSA-N 2 2 274.405 0.161 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](OCCO)C1 ZINC000659930130 413979305 /nfs/dbraw/zinc/97/93/05/413979305.db2.gz BCBHRQSQZPOIKR-KGLIPLIRSA-N 2 2 274.405 0.161 20 0 CCADLP CCN1OC[C@H]([N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C1=O ZINC000660011113 414052325 /nfs/dbraw/zinc/05/23/25/414052325.db2.gz NLZTUMRMQNWXAY-XQQFMLRXSA-N 2 2 267.373 0.565 20 0 CCADLP CCN1OC[C@H]([N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C1=O ZINC000660011113 414052334 /nfs/dbraw/zinc/05/23/34/414052334.db2.gz NLZTUMRMQNWXAY-XQQFMLRXSA-N 2 2 267.373 0.565 20 0 CCADLP CCN1OC[C@H]([NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C1=O ZINC000660011113 414052339 /nfs/dbraw/zinc/05/23/39/414052339.db2.gz NLZTUMRMQNWXAY-XQQFMLRXSA-N 2 2 267.373 0.565 20 0 CCADLP CCN1OC[C@H]([NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C1=O ZINC000660011113 414052344 /nfs/dbraw/zinc/05/23/44/414052344.db2.gz NLZTUMRMQNWXAY-XQQFMLRXSA-N 2 2 267.373 0.565 20 0 CCADLP CN(C)C(=O)C[NH+]1CCC([NH2+]Cc2cccnc2)CC1 ZINC000037232164 173050787 /nfs/dbraw/zinc/05/07/87/173050787.db2.gz JNNWXOUMXBGPQB-UHFFFAOYSA-N 2 2 276.384 0.724 20 0 CCADLP CCN1CC[C@@H]([N@H+](C)CCCn2cc[nH+]c2)C1=O ZINC000660148886 414160438 /nfs/dbraw/zinc/16/04/38/414160438.db2.gz NQVFZYMIEGCRBA-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP CCN1CC[C@@H]([N@@H+](C)CCCn2cc[nH+]c2)C1=O ZINC000660148886 414160446 /nfs/dbraw/zinc/16/04/46/414160446.db2.gz NQVFZYMIEGCRBA-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP COCCO[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000660372676 414269157 /nfs/dbraw/zinc/26/91/57/414269157.db2.gz OCUOKIGOTJYCSE-ZIAGYGMSSA-N 2 2 274.405 0.425 20 0 CCADLP COCCO[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000660372676 414269168 /nfs/dbraw/zinc/26/91/68/414269168.db2.gz OCUOKIGOTJYCSE-ZIAGYGMSSA-N 2 2 274.405 0.425 20 0 CCADLP COCCO[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000660372676 414269176 /nfs/dbraw/zinc/26/91/76/414269176.db2.gz OCUOKIGOTJYCSE-ZIAGYGMSSA-N 2 2 274.405 0.425 20 0 CCADLP COCCO[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000660372676 414269183 /nfs/dbraw/zinc/26/91/83/414269183.db2.gz OCUOKIGOTJYCSE-ZIAGYGMSSA-N 2 2 274.405 0.425 20 0 CCADLP Nc1n[nH]c(C2CC[NH+](CCn3cc[nH+]c3)CC2)n1 ZINC000660567241 414394429 /nfs/dbraw/zinc/39/44/29/414394429.db2.gz MOOVYYRHFPDCFR-UHFFFAOYSA-N 2 2 261.333 0.463 20 0 CCADLP CN1CC[C@@H]([N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000660658620 414431984 /nfs/dbraw/zinc/43/19/84/414431984.db2.gz HXVDFUYWZHYETA-TZMCWYRMSA-N 2 2 251.374 0.635 20 0 CCADLP CN1CC[C@@H]([N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000660658620 414431989 /nfs/dbraw/zinc/43/19/89/414431989.db2.gz HXVDFUYWZHYETA-TZMCWYRMSA-N 2 2 251.374 0.635 20 0 CCADLP CN1CC[C@@H]([NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)C1=O ZINC000660658620 414431995 /nfs/dbraw/zinc/43/19/95/414431995.db2.gz HXVDFUYWZHYETA-TZMCWYRMSA-N 2 2 251.374 0.635 20 0 CCADLP CN1CC[C@@H]([NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000660658620 414432000 /nfs/dbraw/zinc/43/20/00/414432000.db2.gz HXVDFUYWZHYETA-TZMCWYRMSA-N 2 2 251.374 0.635 20 0 CCADLP COCCOCCOCCC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000660583852 414400330 /nfs/dbraw/zinc/40/03/30/414400330.db2.gz MXIPZNNMVBVYLM-UHFFFAOYSA-N 2 2 283.372 0.768 20 0 CCADLP COCCOCCOCCC[N@H+]1CCn2c[nH+]cc2C1 ZINC000660583852 414400338 /nfs/dbraw/zinc/40/03/38/414400338.db2.gz MXIPZNNMVBVYLM-UHFFFAOYSA-N 2 2 283.372 0.768 20 0 CCADLP COC[C@@H](C[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1)OC ZINC000660591173 414405262 /nfs/dbraw/zinc/40/52/62/414405262.db2.gz TZIVKJVQJLVMGJ-DZGCQCFKSA-N 2 2 286.416 0.833 20 0 CCADLP COC[C@@H](C[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1)OC ZINC000660591173 414405267 /nfs/dbraw/zinc/40/52/67/414405267.db2.gz TZIVKJVQJLVMGJ-DZGCQCFKSA-N 2 2 286.416 0.833 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000661046091 414547633 /nfs/dbraw/zinc/54/76/33/414547633.db2.gz PXBIYUVMTOUUCN-QWHCGFSZSA-N 2 2 291.399 0.981 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000661046091 414547637 /nfs/dbraw/zinc/54/76/37/414547637.db2.gz PXBIYUVMTOUUCN-QWHCGFSZSA-N 2 2 291.399 0.981 20 0 CCADLP CCC(C)(C)NC(=O)[C@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031582 174025857 /nfs/dbraw/zinc/02/58/57/174025857.db2.gz ZMOBTTLGVCBFBQ-LBPRGKRZSA-N 2 2 298.431 0.043 20 0 CCADLP CCC(C)(C)NC(=O)[C@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031582 174025859 /nfs/dbraw/zinc/02/58/59/174025859.db2.gz ZMOBTTLGVCBFBQ-LBPRGKRZSA-N 2 2 298.431 0.043 20 0 CCADLP C[C@H](c1cccnc1)[NH+]1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662266154 414702963 /nfs/dbraw/zinc/70/29/63/414702963.db2.gz YIKYHOZJFLHLEM-ZBFHGGJFSA-N 2 2 290.411 0.749 20 0 CCADLP C([C@H]1CCC2(C[NH2+]C2)O1)[N@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000662265993 414703451 /nfs/dbraw/zinc/70/34/51/414703451.db2.gz VIMCPZJELYSNPL-CHWSQXEVSA-N 3 2 251.374 0.334 20 0 CCADLP C([C@H]1CCC2(C[NH2+]C2)O1)[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000662265993 414703452 /nfs/dbraw/zinc/70/34/52/414703452.db2.gz VIMCPZJELYSNPL-CHWSQXEVSA-N 3 2 251.374 0.334 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)CC1=CCSC1 ZINC000662271605 414703653 /nfs/dbraw/zinc/70/36/53/414703653.db2.gz WEJAYGMWCHIVPR-UHFFFAOYSA-N 2 2 269.414 0.365 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)CC1=CCSC1 ZINC000662271605 414703654 /nfs/dbraw/zinc/70/36/54/414703654.db2.gz WEJAYGMWCHIVPR-UHFFFAOYSA-N 2 2 269.414 0.365 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000662278239 414704710 /nfs/dbraw/zinc/70/47/10/414704710.db2.gz ZOJWOXMSVACYCE-KBPBESRZSA-N 2 2 254.374 0.866 20 0 CCADLP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662281240 414705592 /nfs/dbraw/zinc/70/55/92/414705592.db2.gz KQQOEKUSIKKIHQ-ZNMIVQPWSA-N 3 2 283.416 0.193 20 0 CCADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662285522 414706007 /nfs/dbraw/zinc/70/60/07/414706007.db2.gz COAKHCNPOFBUJC-OLZOCXBDSA-N 2 2 283.416 0.385 20 0 CCADLP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@H]2C[NH2+]CCO2)cn1 ZINC000662310662 414709011 /nfs/dbraw/zinc/70/90/11/414709011.db2.gz MAAGVPMKEQYSOS-ZNMIVQPWSA-N 2 2 278.400 0.709 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000662054324 414689058 /nfs/dbraw/zinc/68/90/58/414689058.db2.gz MMLBYMDZIZJSOK-ZDUSSCGKSA-N 2 2 276.384 0.907 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000662054324 414689059 /nfs/dbraw/zinc/68/90/59/414689059.db2.gz MMLBYMDZIZJSOK-ZDUSSCGKSA-N 2 2 276.384 0.907 20 0 CCADLP O[C@H]1CC[N@@H+](C2CC[NH+](CCO[C@H]3CC3(F)F)CC2)C1 ZINC000662148430 414693912 /nfs/dbraw/zinc/69/39/12/414693912.db2.gz KEUJPWSEVVPPGP-STQMWFEESA-N 2 2 290.354 0.942 20 0 CCADLP O[C@H]1CC[N@H+](C2CC[NH+](CCO[C@H]3CC3(F)F)CC2)C1 ZINC000662148430 414693913 /nfs/dbraw/zinc/69/39/13/414693913.db2.gz KEUJPWSEVVPPGP-STQMWFEESA-N 2 2 290.354 0.942 20 0 CCADLP O[C@@H]1CC[N@@H+](C2CC[NH+](CCOC[C@H]3CCCO3)CC2)C1 ZINC000662158369 414694386 /nfs/dbraw/zinc/69/43/86/414694386.db2.gz SFLFDNWCDZLSOI-HZPDHXFCSA-N 2 2 298.427 0.713 20 0 CCADLP O[C@@H]1CC[N@H+](C2CC[NH+](CCOC[C@H]3CCCO3)CC2)C1 ZINC000662158369 414694387 /nfs/dbraw/zinc/69/43/87/414694387.db2.gz SFLFDNWCDZLSOI-HZPDHXFCSA-N 2 2 298.427 0.713 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2coc(S(N)(=O)=O)c2)C1 ZINC000662244045 414698931 /nfs/dbraw/zinc/69/89/31/414698931.db2.gz FVJNINHADVFHSW-GXSJLCMTSA-N 2 2 287.385 0.486 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2coc(S(N)(=O)=O)c2)C1 ZINC000662244045 414698932 /nfs/dbraw/zinc/69/89/32/414698932.db2.gz FVJNINHADVFHSW-GXSJLCMTSA-N 2 2 287.385 0.486 20 0 CCADLP Cc1noc(C2CC[NH+](C[C@@H]3C[NH2+]CCO3)CC2)n1 ZINC000662252092 414699945 /nfs/dbraw/zinc/69/99/45/414699945.db2.gz ILIXSPUVFZVWSL-LBPRGKRZSA-N 2 2 266.345 0.546 20 0 CCADLP CCCC(=O)NC[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662255667 414700750 /nfs/dbraw/zinc/70/07/50/414700750.db2.gz ZYPWGESHPFKJTF-KBPBESRZSA-N 2 2 283.416 0.603 20 0 CCADLP CCCC(=O)NC[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662255667 414700751 /nfs/dbraw/zinc/70/07/51/414700751.db2.gz ZYPWGESHPFKJTF-KBPBESRZSA-N 2 2 283.416 0.603 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662742576 414750667 /nfs/dbraw/zinc/75/06/67/414750667.db2.gz DWURQFJSBOSVIV-RYUDHWBXSA-N 2 2 280.372 0.519 20 0 CCADLP CC(C)[NH2+]CC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000662447419 414718979 /nfs/dbraw/zinc/71/89/79/414718979.db2.gz VPCFQTPOTCXVTJ-NWDGAFQWSA-N 2 2 257.378 0.210 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000662531610 414725730 /nfs/dbraw/zinc/72/57/30/414725730.db2.gz YVEBZOPKOUMTNA-GFCCVEGCSA-N 2 2 295.387 0.152 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662619311 414733354 /nfs/dbraw/zinc/73/33/54/414733354.db2.gz KAZOCNXEBIZWMF-NEPJUHHUSA-N 3 2 270.421 0.254 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662619311 414733355 /nfs/dbraw/zinc/73/33/55/414733355.db2.gz KAZOCNXEBIZWMF-NEPJUHHUSA-N 3 2 270.421 0.254 20 0 CCADLP COCC[NH2+]CC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000662623762 414734055 /nfs/dbraw/zinc/73/40/55/414734055.db2.gz OWDVLOSIVQUBIQ-UHFFFAOYSA-N 2 2 292.383 0.534 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000662629451 414734340 /nfs/dbraw/zinc/73/43/40/414734340.db2.gz FSUBPBDYNHLZKD-CYDGBPFRSA-N 2 2 271.405 0.585 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000662629451 414734341 /nfs/dbraw/zinc/73/43/41/414734341.db2.gz FSUBPBDYNHLZKD-CYDGBPFRSA-N 2 2 271.405 0.585 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)[C@@H](C)[NH3+] ZINC000662632521 414735369 /nfs/dbraw/zinc/73/53/69/414735369.db2.gz DJSZZEDODVNPRG-AAVRWANBSA-N 2 2 285.432 0.831 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)[C@@H](C)[NH3+] ZINC000662632521 414735370 /nfs/dbraw/zinc/73/53/70/414735370.db2.gz DJSZZEDODVNPRG-AAVRWANBSA-N 2 2 285.432 0.831 20 0 CCADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000662632686 414735575 /nfs/dbraw/zinc/73/55/75/414735575.db2.gz SUDTUWTVGZFTDQ-UONOGXRCSA-N 3 2 284.448 0.374 20 0 CCADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000662632686 414735576 /nfs/dbraw/zinc/73/55/76/414735576.db2.gz SUDTUWTVGZFTDQ-UONOGXRCSA-N 3 2 284.448 0.374 20 0 CCADLP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662657220 414737841 /nfs/dbraw/zinc/73/78/41/414737841.db2.gz XUEDBCRMUDPBNS-LZWOXQAQSA-N 2 2 295.427 0.827 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000662666859 414739143 /nfs/dbraw/zinc/73/91/43/414739143.db2.gz WJYCTOONMHZLDK-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP [NH3+]C1(CC(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000662672115 414739531 /nfs/dbraw/zinc/73/95/31/414739531.db2.gz VOCDZPRZNYJCBJ-UHFFFAOYSA-N 2 2 258.325 0.874 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662685480 414741084 /nfs/dbraw/zinc/74/10/84/414741084.db2.gz CUAUIUXPBGPWBY-SECBINFHSA-N 2 2 277.328 0.883 20 0 CCADLP Cc1cn2cc(NC(=O)[C@@H]3CCO[C@H]3C[NH3+])ccc2[nH+]1 ZINC000662712381 414745234 /nfs/dbraw/zinc/74/52/34/414745234.db2.gz RVSWWVGDFZHXDG-NEPJUHHUSA-N 2 2 274.324 0.945 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)[C@H]3CCO[C@H]3C[NH3+])cn21 ZINC000662727879 414746855 /nfs/dbraw/zinc/74/68/55/414746855.db2.gz YOWDHYKRMGLVRQ-STQMWFEESA-N 2 2 288.351 0.623 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3C[NH2+]CCCO3)ccn12 ZINC000662785591 414792880 /nfs/dbraw/zinc/79/28/80/414792880.db2.gz YNNMYRFPCGKUOV-ZDUSSCGKSA-N 2 2 288.351 0.751 20 0 CCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662794872 414800717 /nfs/dbraw/zinc/80/07/17/414800717.db2.gz QVCZJFVIQPJWEN-HAQNSBGRSA-N 2 2 290.367 0.902 20 0 CCADLP C[C@H]1CC[NH2+][C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000662858298 414849397 /nfs/dbraw/zinc/84/93/97/414849397.db2.gz XGMRHPNHPWKXKY-UONOGXRCSA-N 3 2 284.448 0.374 20 0 CCADLP C[C@H]1CC[NH2+][C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000662858298 414849401 /nfs/dbraw/zinc/84/94/01/414849401.db2.gz XGMRHPNHPWKXKY-UONOGXRCSA-N 3 2 284.448 0.374 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)c2c[nH+]ccc2N)[C@H](C)CO1 ZINC000662860960 414851165 /nfs/dbraw/zinc/85/11/65/414851165.db2.gz WFNIOHUJOKQIBR-GHMZBOCLSA-N 2 2 278.356 0.333 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)c2c[nH+]ccc2N)[C@H](C)CO1 ZINC000662860960 414851168 /nfs/dbraw/zinc/85/11/68/414851168.db2.gz WFNIOHUJOKQIBR-GHMZBOCLSA-N 2 2 278.356 0.333 20 0 CCADLP C[C@]1(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CCC[NH2+]C1 ZINC000662870347 414854531 /nfs/dbraw/zinc/85/45/31/414854531.db2.gz DZDIDJPYBQKWBF-HIFRSBDPSA-N 2 2 281.400 0.309 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000662898827 414878146 /nfs/dbraw/zinc/87/81/46/414878146.db2.gz BFEPFIUKJQAHBZ-GHMZBOCLSA-N 2 2 266.345 0.459 20 0 CCADLP CN(C(=O)CCC[NH3+])[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900149 414880599 /nfs/dbraw/zinc/88/05/99/414880599.db2.gz JAIJZOMNHOXZEL-CQSZACIVSA-N 3 2 282.432 0.352 20 0 CCADLP CN(C(=O)CCC[NH3+])[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900149 414880603 /nfs/dbraw/zinc/88/06/03/414880603.db2.gz JAIJZOMNHOXZEL-CQSZACIVSA-N 3 2 282.432 0.352 20 0 CCADLP CC[NH+](CC)CCNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000663401601 415057551 /nfs/dbraw/zinc/05/75/51/415057551.db2.gz UXPYYTMVXKTMLQ-UHFFFAOYSA-N 2 2 253.350 0.893 20 0 CCADLP CC[NH+](CC)CCNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000663401601 415057555 /nfs/dbraw/zinc/05/75/55/415057555.db2.gz UXPYYTMVXKTMLQ-UHFFFAOYSA-N 2 2 253.350 0.893 20 0 CCADLP c1nc(N2CCOCC2)sc1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663502610 415080905 /nfs/dbraw/zinc/08/09/05/415080905.db2.gz WNEDSVATYAYKRD-UHFFFAOYSA-N 2 2 294.424 0.821 20 0 CCADLP Cc1ccc2[nH+]cc(CN3CCOC4(C[NH2+]C4)C3)n2c1 ZINC000663512289 415082783 /nfs/dbraw/zinc/08/27/83/415082783.db2.gz IKMAMMZDYVRREF-UHFFFAOYSA-N 2 2 272.352 0.817 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[NH2+]C[C@@](C)(F)C1 ZINC000663242038 415027359 /nfs/dbraw/zinc/02/73/59/415027359.db2.gz KVCPPOGJBFPQCQ-LLVKDONJSA-N 2 2 255.297 0.205 20 0 CCADLP CN(CC[NH+](C)C)c1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000663680416 415108920 /nfs/dbraw/zinc/10/89/20/415108920.db2.gz PNYCOONAXRVTBE-UHFFFAOYSA-N 2 2 293.415 0.826 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000663775247 415131757 /nfs/dbraw/zinc/13/17/57/415131757.db2.gz VTJARYOGEHCWAZ-CQSZACIVSA-N 3 2 299.463 0.263 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000663775247 415131761 /nfs/dbraw/zinc/13/17/61/415131761.db2.gz VTJARYOGEHCWAZ-CQSZACIVSA-N 3 2 299.463 0.263 20 0 CCADLP C[NH+](C)CCC[NH+](C)CCNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000663775247 415131768 /nfs/dbraw/zinc/13/17/68/415131768.db2.gz VTJARYOGEHCWAZ-CQSZACIVSA-N 3 2 299.463 0.263 20 0 CCADLP C[NH+](C)CCC[NH+](C)CCNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000663775247 415131775 /nfs/dbraw/zinc/13/17/75/415131775.db2.gz VTJARYOGEHCWAZ-CQSZACIVSA-N 3 2 299.463 0.263 20 0 CCADLP O=C(Nc1ccccc1-n1cc[nH+]c1)[C@H]1C[NH2+]CCO1 ZINC000043708394 175100871 /nfs/dbraw/zinc/10/08/71/175100871.db2.gz FZAVNLHZROGSRG-CYBMUJFWSA-N 2 2 272.308 0.799 20 0 CCADLP Cc1cc(NC(=O)C[NH+]2CCC(C[NH3+])CC2)on1 ZINC000044513515 175188852 /nfs/dbraw/zinc/18/88/52/175188852.db2.gz DAMIUNKTOABOOO-UHFFFAOYSA-N 2 2 252.318 0.592 20 0 CCADLP Cc1cc(CO)cc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)[nH+]1 ZINC000664066834 415229985 /nfs/dbraw/zinc/22/99/85/415229985.db2.gz DIBFAOWBRNTMSH-CYBMUJFWSA-N 2 2 263.341 0.138 20 0 CCADLP Cc1cc(CO)cc(N2CC([N@H+]3CC[C@@H](O)C3)C2)[nH+]1 ZINC000664066834 415229986 /nfs/dbraw/zinc/22/99/86/415229986.db2.gz DIBFAOWBRNTMSH-CYBMUJFWSA-N 2 2 263.341 0.138 20 0 CCADLP Cc1cnc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)o1 ZINC000664330650 415344390 /nfs/dbraw/zinc/34/43/90/415344390.db2.gz LJIXXZHAECSNEF-UHFFFAOYSA-N 2 2 268.361 0.596 20 0 CCADLP Cc1cnc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)o1 ZINC000664330650 415344401 /nfs/dbraw/zinc/34/44/01/415344401.db2.gz LJIXXZHAECSNEF-UHFFFAOYSA-N 2 2 268.361 0.596 20 0 CCADLP CCN(C(=O)N[C@H]1CCn2cc[nH+]c2C1)[C@H]1CC[N@@H+](C)C1 ZINC000664714302 415452437 /nfs/dbraw/zinc/45/24/37/415452437.db2.gz UYZZHOMTRLLHJI-STQMWFEESA-N 2 2 291.399 0.934 20 0 CCADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000665244720 415576516 /nfs/dbraw/zinc/57/65/16/415576516.db2.gz UYFOLZGWBZJILU-JQWIXIFHSA-N 2 2 283.397 0.607 20 0 CCADLP COC[C@H]([NH2+][C@H](C)C[C@H]1COCC[NH2+]1)C1CCOCC1 ZINC000665235901 415572245 /nfs/dbraw/zinc/57/22/45/415572245.db2.gz CAPZDKZJXBTPAY-SNPRPXQTSA-N 2 2 286.416 0.785 20 0 CCADLP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccc(S(N)(=O)=O)c1 ZINC000665278870 415587808 /nfs/dbraw/zinc/58/78/08/415587808.db2.gz QEISSBHZWMPLSV-CDWSIMAYSA-N 2 2 295.408 0.737 20 0 CCADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000665294261 415590107 /nfs/dbraw/zinc/59/01/07/415590107.db2.gz LGUONEYWDNEKIX-QWRGUYRKSA-N 2 2 260.345 0.921 20 0 CCADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000665294083 415590917 /nfs/dbraw/zinc/59/09/17/415590917.db2.gz HOQXIHCOXRDQJR-IUCAKERBSA-N 3 2 251.334 0.000 20 0 CCADLP C[NH+](C)C1CCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000665691558 416474900 /nfs/dbraw/zinc/47/49/00/416474900.db2.gz KOLHLTDIMQLREK-UHFFFAOYSA-N 2 2 263.345 0.811 20 0 CCADLP C[NH+](C)C1CCN(c2[nH+]cnc3c2OCCN3)CC1 ZINC000665691558 416474903 /nfs/dbraw/zinc/47/49/03/416474903.db2.gz KOLHLTDIMQLREK-UHFFFAOYSA-N 2 2 263.345 0.811 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[NH+](C3CC3)CC2)CCO1 ZINC000192973661 227393893 /nfs/dbraw/zinc/39/38/93/227393893.db2.gz HRYNJFGIXRDNRB-CYBMUJFWSA-N 2 2 253.390 0.487 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](C3CC3)CC2)CCO1 ZINC000192973661 227393895 /nfs/dbraw/zinc/39/38/95/227393895.db2.gz HRYNJFGIXRDNRB-CYBMUJFWSA-N 2 2 253.390 0.487 20 0 CCADLP CCn1c[nH+]cc1CN1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000418104431 228051346 /nfs/dbraw/zinc/05/13/46/228051346.db2.gz ADBWTKGHGZPKJE-OLZOCXBDSA-N 2 2 266.389 0.790 20 0 CCADLP COc1ccccc1NC(=O)C[N@H+](C)CCC[NH3+] ZINC000019834766 544418178 /nfs/dbraw/zinc/41/81/78/544418178.db2.gz GKOVNKTVLZMQGE-UHFFFAOYSA-N 2 2 251.330 0.914 20 0 CCADLP COc1ccccc1NC(=O)C[N@@H+](C)CCC[NH3+] ZINC000019834766 544418181 /nfs/dbraw/zinc/41/81/81/544418181.db2.gz GKOVNKTVLZMQGE-UHFFFAOYSA-N 2 2 251.330 0.914 20 0 CCADLP CS(=O)(=O)N1CCC([NH2+][C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000061980618 544445531 /nfs/dbraw/zinc/44/55/31/544445531.db2.gz MMBLZXHPMAVVIA-LBPRGKRZSA-N 2 2 287.429 0.237 20 0 CCADLP CS(=O)(=O)N1CCC([NH2+][C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000061980618 544445535 /nfs/dbraw/zinc/44/55/35/544445535.db2.gz MMBLZXHPMAVVIA-LBPRGKRZSA-N 2 2 287.429 0.237 20 0 CCADLP Cn1cc[nH+]c1[C@@H](NC(=O)COCC[NH3+])c1ccccc1 ZINC000093232024 544541001 /nfs/dbraw/zinc/54/10/01/544541001.db2.gz ZJVJKSBBNYEHMR-AWEZNQCLSA-N 2 2 288.351 0.601 20 0 CCADLP Cc1ccc(NC(=O)c2cn(CC[NH3+])nn2)c(C)[nH+]1 ZINC000094665932 544546260 /nfs/dbraw/zinc/54/62/60/544546260.db2.gz HXQHCXGVAAVXNZ-UHFFFAOYSA-N 2 2 260.301 0.501 20 0 CCADLP CC1(OCC(=O)NCCCCn2cc[nH+]c2)C[NH2+]C1 ZINC000098061694 544556559 /nfs/dbraw/zinc/55/65/59/544556559.db2.gz AXOFIGHCBDJINO-UHFFFAOYSA-N 2 2 266.345 0.158 20 0 CCADLP C[C@H](O)CNc1cc(NC[C@@H]2COCC[N@@H+]2C)nc[nH+]1 ZINC000624621164 419422151 /nfs/dbraw/zinc/42/21/51/419422151.db2.gz VTQIOYUBXVECFP-WDEREUQCSA-N 2 2 281.360 0.012 20 0 CCADLP C[C@H](O)CNc1cc(NC[C@@H]2COCC[N@H+]2C)nc[nH+]1 ZINC000624621164 419422160 /nfs/dbraw/zinc/42/21/60/419422160.db2.gz VTQIOYUBXVECFP-WDEREUQCSA-N 2 2 281.360 0.012 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CC(=O)NCc2ccco2)CC[N@@H+]1C ZINC000128105802 544610069 /nfs/dbraw/zinc/61/00/69/544610069.db2.gz PJUDXCRSDQWJGW-VXGBXAGGSA-N 2 2 265.357 0.968 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CC(=O)NCc2ccco2)CC[N@H+]1C ZINC000128105802 544610072 /nfs/dbraw/zinc/61/00/72/544610072.db2.gz PJUDXCRSDQWJGW-VXGBXAGGSA-N 2 2 265.357 0.968 20 0 CCADLP CS(=O)(=O)N[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000183171009 544765154 /nfs/dbraw/zinc/76/51/54/544765154.db2.gz ZZVYGHIZOCAQKU-GFCCVEGCSA-N 2 2 286.401 0.287 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000227376364 544833978 /nfs/dbraw/zinc/83/39/78/544833978.db2.gz UCIUFOVYOAUFIQ-QWHCGFSZSA-N 2 2 288.351 0.599 20 0 CCADLP C[C@H]([NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000237399030 544894441 /nfs/dbraw/zinc/89/44/41/544894441.db2.gz AIYBUOVANKOJON-CFVMTHIKSA-N 2 2 289.379 0.445 20 0 CCADLP C[C@H]([NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000237399030 544894448 /nfs/dbraw/zinc/89/44/48/544894448.db2.gz AIYBUOVANKOJON-CFVMTHIKSA-N 2 2 289.379 0.445 20 0 CCADLP C[C@@H]([NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000237456106 544894585 /nfs/dbraw/zinc/89/45/85/544894585.db2.gz AIYBUOVANKOJON-YUELXQCFSA-N 2 2 289.379 0.445 20 0 CCADLP C[C@@H]([NH3+])C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000237456106 544894588 /nfs/dbraw/zinc/89/45/88/544894588.db2.gz AIYBUOVANKOJON-YUELXQCFSA-N 2 2 289.379 0.445 20 0 CCADLP C[NH+](C)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000276468575 544953821 /nfs/dbraw/zinc/95/38/21/544953821.db2.gz QBVBRPIGMBDLAV-LBPRGKRZSA-N 2 2 250.346 0.895 20 0 CCADLP C[NH+](C)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000276468575 544953825 /nfs/dbraw/zinc/95/38/25/544953825.db2.gz QBVBRPIGMBDLAV-LBPRGKRZSA-N 2 2 250.346 0.895 20 0 CCADLP Cc1cc(N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)nc(C)[nH+]1 ZINC000251703001 544927618 /nfs/dbraw/zinc/92/76/18/544927618.db2.gz KBGHPYQTDQIOSW-VXGBXAGGSA-N 2 2 264.373 0.985 20 0 CCADLP Cc1cc(N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)nc(C)[nH+]1 ZINC000251703001 544927623 /nfs/dbraw/zinc/92/76/23/544927623.db2.gz KBGHPYQTDQIOSW-VXGBXAGGSA-N 2 2 264.373 0.985 20 0 CCADLP C[C@@H]1C[NH+](CCCNC(=O)CCc2c[nH+]c[nH]2)C[C@@H](C)O1 ZINC000276694024 544956453 /nfs/dbraw/zinc/95/64/53/544956453.db2.gz XSRCYFPHJORDAX-CHWSQXEVSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@@H]1C[NH+](CCCNC(=O)CCc2c[nH]c[nH+]2)C[C@@H](C)O1 ZINC000276694024 544956459 /nfs/dbraw/zinc/95/64/59/544956459.db2.gz XSRCYFPHJORDAX-CHWSQXEVSA-N 2 2 294.399 0.958 20 0 CCADLP COc1cc[nH+]c(CN2CCO[C@H]([C@H](C)[NH3+])C2)c1OC ZINC000300154117 544978906 /nfs/dbraw/zinc/97/89/06/544978906.db2.gz NSGWRZXWGFHDLX-GWCFXTLKSA-N 2 2 281.356 0.647 20 0 CCADLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[NH3+])cn2)CC1 ZINC000333283448 545039123 /nfs/dbraw/zinc/03/91/23/545039123.db2.gz MWDNFOPPUQZGGL-LSDHHAIUSA-N 3 2 289.427 0.803 20 0 CCADLP CCc1cc(N2CC[N@@H+]3CCOC[C@@H]3C2)nc(C)[nH+]1 ZINC000347883050 545063334 /nfs/dbraw/zinc/06/33/34/545063334.db2.gz QCOTYQXEVMRBDQ-ZDUSSCGKSA-N 2 2 262.357 0.868 20 0 CCADLP CCc1cc(N2CC[N@H+]3CCOC[C@@H]3C2)nc(C)[nH+]1 ZINC000347883050 545063335 /nfs/dbraw/zinc/06/33/35/545063335.db2.gz QCOTYQXEVMRBDQ-ZDUSSCGKSA-N 2 2 262.357 0.868 20 0 CCADLP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)N1CCCC1 ZINC000335008707 545047684 /nfs/dbraw/zinc/04/76/84/545047684.db2.gz LKEOSCPHYJYTEK-CQSZACIVSA-N 2 2 251.374 0.684 20 0 CCADLP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)N1CCCC1 ZINC000335008707 545047687 /nfs/dbraw/zinc/04/76/87/545047687.db2.gz LKEOSCPHYJYTEK-CQSZACIVSA-N 2 2 251.374 0.684 20 0 CCADLP C[C@@H](Cc1cnn(C)c1)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425340418 274232137 /nfs/dbraw/zinc/23/21/37/274232137.db2.gz ANJAUXFSUUWCTM-NSHDSACASA-N 2 2 276.388 0.940 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000417022009 275703644 /nfs/dbraw/zinc/70/36/44/275703644.db2.gz UTYLGNLHFOYVAQ-GFCCVEGCSA-N 2 2 279.388 0.930 20 0 CCADLP CCCNC(=O)[C@H](C)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420372975 276265414 /nfs/dbraw/zinc/26/54/14/276265414.db2.gz MQPZTOALCXIQKX-GXTWGEPZSA-N 2 2 253.390 0.977 20 0 CCADLP CCCNC(=O)[C@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420372975 276265416 /nfs/dbraw/zinc/26/54/16/276265416.db2.gz MQPZTOALCXIQKX-GXTWGEPZSA-N 2 2 253.390 0.977 20 0 CCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000417027301 276276820 /nfs/dbraw/zinc/27/68/20/276276820.db2.gz MXTWLEBEPZONJS-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CCN(CC)C(=O)CCC[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000422954025 276316588 /nfs/dbraw/zinc/31/65/88/276316588.db2.gz GWWSBGXCCVZUFZ-KBPBESRZSA-N 2 2 285.432 0.992 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@H]2CCCO2)CC1 ZINC000341575435 276380888 /nfs/dbraw/zinc/38/08/88/276380888.db2.gz MVKDATFNMOATTD-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@H]2CCCO2)CC1 ZINC000341575435 276380890 /nfs/dbraw/zinc/38/08/90/276380890.db2.gz MVKDATFNMOATTD-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@H](C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C)[NH+](C)C ZINC000342255906 276542171 /nfs/dbraw/zinc/54/21/71/276542171.db2.gz VKBYCQCPWAKQPS-HZSPNIEDSA-N 2 2 283.416 0.648 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000355185595 277043394 /nfs/dbraw/zinc/04/33/94/277043394.db2.gz WPAGPAARKVFUEQ-CABCVRRESA-N 2 2 294.443 0.367 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000355185595 277043396 /nfs/dbraw/zinc/04/33/96/277043396.db2.gz WPAGPAARKVFUEQ-CABCVRRESA-N 2 2 294.443 0.367 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN2C(=O)NC[C@H]2C1 ZINC000245644548 277078436 /nfs/dbraw/zinc/07/84/36/277078436.db2.gz SXPLPKMQBHIQQO-RYUDHWBXSA-N 2 2 252.362 0.180 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN2C(=O)NC[C@H]2C1 ZINC000245644548 277078438 /nfs/dbraw/zinc/07/84/38/277078438.db2.gz SXPLPKMQBHIQQO-RYUDHWBXSA-N 2 2 252.362 0.180 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000245644548 277078439 /nfs/dbraw/zinc/07/84/39/277078439.db2.gz SXPLPKMQBHIQQO-RYUDHWBXSA-N 2 2 252.362 0.180 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000245644548 277078441 /nfs/dbraw/zinc/07/84/41/277078441.db2.gz SXPLPKMQBHIQQO-RYUDHWBXSA-N 2 2 252.362 0.180 20 0 CCADLP COC(=O)[C@H]1C[C@H](O)C[N@@H+]1CCCn1cc[nH+]c1C ZINC000276527341 277139072 /nfs/dbraw/zinc/13/90/72/277139072.db2.gz COOLKGPBHJCYBM-NWDGAFQWSA-N 2 2 267.329 0.190 20 0 CCADLP COC(=O)[C@H]1C[C@H](O)C[N@H+]1CCCn1cc[nH+]c1C ZINC000276527341 277139074 /nfs/dbraw/zinc/13/90/74/277139074.db2.gz COOLKGPBHJCYBM-NWDGAFQWSA-N 2 2 267.329 0.190 20 0 CCADLP CNC(=O)[C@H](CCSC)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425379693 277249918 /nfs/dbraw/zinc/24/99/18/277249918.db2.gz LASQWEMBQAIDNM-NSHDSACASA-N 2 2 299.444 0.443 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000227881434 278048925 /nfs/dbraw/zinc/04/89/25/278048925.db2.gz JJMFJVJKHGDROZ-BFHYXJOUSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@@H]1OCC[C@H]1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000356015705 278060730 /nfs/dbraw/zinc/06/07/30/278060730.db2.gz QYPCNSJCFOJKGO-DZGCQCFKSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@@H]1OCC[C@H]1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000356015705 278060732 /nfs/dbraw/zinc/06/07/32/278060732.db2.gz QYPCNSJCFOJKGO-DZGCQCFKSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H](C)[NH3+] ZINC000372807926 278213287 /nfs/dbraw/zinc/21/32/87/278213287.db2.gz SCVOGMMIMILOEI-AGIUHOORSA-N 3 2 282.432 0.254 20 0 CCADLP C[C@@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H](C)[NH3+] ZINC000372807926 278213288 /nfs/dbraw/zinc/21/32/88/278213288.db2.gz SCVOGMMIMILOEI-AGIUHOORSA-N 3 2 282.432 0.254 20 0 CCADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)[C@H]1CCOC1 ZINC000449397082 278264156 /nfs/dbraw/zinc/26/41/56/278264156.db2.gz NYHSXKPZFMVVBM-MELADBBJSA-N 2 2 256.390 0.848 20 0 CCADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)[C@H]1CCOC1 ZINC000449397082 278264157 /nfs/dbraw/zinc/26/41/57/278264157.db2.gz NYHSXKPZFMVVBM-MELADBBJSA-N 2 2 256.390 0.848 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000422921988 278565537 /nfs/dbraw/zinc/56/55/37/278565537.db2.gz ROHRKZCVESFWER-UTUOFQBUSA-N 2 2 253.390 0.973 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000342814132 288091341 /nfs/dbraw/zinc/09/13/41/288091341.db2.gz WALFALQCURKYPJ-SGESHTKJSA-N 2 2 251.374 0.583 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000342814132 288091343 /nfs/dbraw/zinc/09/13/43/288091343.db2.gz WALFALQCURKYPJ-SGESHTKJSA-N 2 2 251.374 0.583 20 0 CCADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000356781871 279117357 /nfs/dbraw/zinc/11/73/57/279117357.db2.gz POALCOOGEWSELY-MGPQQGTHSA-N 2 2 281.400 0.402 20 0 CCADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000356781871 279117358 /nfs/dbraw/zinc/11/73/58/279117358.db2.gz POALCOOGEWSELY-MGPQQGTHSA-N 2 2 281.400 0.402 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@H](O)C(C)(C)C2)CC1 ZINC000447861479 279343278 /nfs/dbraw/zinc/34/32/78/279343278.db2.gz BDKODHPMSIBRGH-OLZOCXBDSA-N 2 2 283.416 0.242 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2C[C@H](O)C(C)(C)C2)CC1 ZINC000447861479 279343280 /nfs/dbraw/zinc/34/32/80/279343280.db2.gz BDKODHPMSIBRGH-OLZOCXBDSA-N 2 2 283.416 0.242 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000360449459 279355701 /nfs/dbraw/zinc/35/57/01/279355701.db2.gz XJUAJOWMDZWKMY-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000360449459 279355705 /nfs/dbraw/zinc/35/57/05/279355705.db2.gz XJUAJOWMDZWKMY-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000368469105 279380428 /nfs/dbraw/zinc/38/04/28/279380428.db2.gz DYWZCPOWHRLLQA-ZDUSSCGKSA-N 2 2 269.389 0.260 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000368469105 279380429 /nfs/dbraw/zinc/38/04/29/279380429.db2.gz DYWZCPOWHRLLQA-ZDUSSCGKSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@H](C)[C@H](C)O1 ZINC000446077192 288138776 /nfs/dbraw/zinc/13/87/76/288138776.db2.gz JBIJKYVGXXXJPT-UPJWGTAASA-N 2 2 269.389 0.258 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@H](C)[C@H](C)O1 ZINC000446077192 288138779 /nfs/dbraw/zinc/13/87/79/288138779.db2.gz JBIJKYVGXXXJPT-UPJWGTAASA-N 2 2 269.389 0.258 20 0 CCADLP C[C@H](c1nnnn1C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000408270473 279623475 /nfs/dbraw/zinc/62/34/75/279623475.db2.gz QCDZJIGNWLJFNY-SNVBAGLBSA-N 2 2 252.366 0.545 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)C[C@H]21 ZINC000360830254 279673073 /nfs/dbraw/zinc/67/30/73/279673073.db2.gz DTMQUYCHSLJXPM-GWOFURMSSA-N 2 2 273.327 0.569 20 0 CCADLP O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000334656485 279992352 /nfs/dbraw/zinc/99/23/52/279992352.db2.gz YWVVWJOZIGABLZ-BQBZGAKWSA-N 2 2 269.242 0.097 20 0 CCADLP O=S1(=O)CCC[C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000069136873 280344997 /nfs/dbraw/zinc/34/49/97/280344997.db2.gz FSCRZKNAPJDJJN-VXGBXAGGSA-N 2 2 272.414 0.638 20 0 CCADLP O=S1(=O)CCC[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000069136873 280344999 /nfs/dbraw/zinc/34/49/99/280344999.db2.gz FSCRZKNAPJDJJN-VXGBXAGGSA-N 2 2 272.414 0.638 20 0 CCADLP c1cc(CC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)ccn1 ZINC000423003115 280466051 /nfs/dbraw/zinc/46/60/51/280466051.db2.gz GZIORVGDNGUDGD-GJZGRUSLSA-N 2 2 261.369 0.981 20 0 CCADLP C[C@@H]1[NH2+]CCN(C(=O)[C@H]2CC[NH2+]CC2(F)F)[C@H]1C ZINC000343446860 288858330 /nfs/dbraw/zinc/85/83/30/288858330.db2.gz XXMOPTZHNLZNSH-LPEHRKFASA-N 2 2 261.316 0.440 20 0 CCADLP C[C@@](C[NH3+])([NH2+]CC(=O)NC(=O)NC1CCCCC1)C1CC1 ZINC000430587010 289108296 /nfs/dbraw/zinc/10/82/96/289108296.db2.gz ZVFYQJMSJXPUPG-HNNXBMFYSA-N 2 2 296.415 0.862 20 0 CCADLP C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000357236795 289254838 /nfs/dbraw/zinc/25/48/38/289254838.db2.gz UOYWJBJHEURZQP-RBSFLKMASA-N 2 2 296.459 0.563 20 0 CCADLP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000357236795 289254839 /nfs/dbraw/zinc/25/48/39/289254839.db2.gz UOYWJBJHEURZQP-RBSFLKMASA-N 2 2 296.459 0.563 20 0 CCADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000414800132 289727807 /nfs/dbraw/zinc/72/78/07/289727807.db2.gz YRSXADJDVHCHPH-MQYQWHSLSA-N 3 2 255.406 0.467 20 0 CCADLP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)NC(=O)NC(C)(C)C)C2)C1 ZINC000366499955 290187923 /nfs/dbraw/zinc/18/79/23/290187923.db2.gz ZMNDPYMVPTVAEO-OAHLLOKOSA-N 2 2 296.415 0.638 20 0 CCADLP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)NC(=O)NC(C)(C)C)C2)C1 ZINC000366499955 290187926 /nfs/dbraw/zinc/18/79/26/290187926.db2.gz ZMNDPYMVPTVAEO-OAHLLOKOSA-N 2 2 296.415 0.638 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)NC(=O)NC(C)(C)C)C2)C1 ZINC000366499955 290187929 /nfs/dbraw/zinc/18/79/29/290187929.db2.gz ZMNDPYMVPTVAEO-OAHLLOKOSA-N 2 2 296.415 0.638 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C2)C1 ZINC000366499955 290187932 /nfs/dbraw/zinc/18/79/32/290187932.db2.gz ZMNDPYMVPTVAEO-OAHLLOKOSA-N 2 2 296.415 0.638 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000386222057 336168204 /nfs/dbraw/zinc/16/82/04/336168204.db2.gz ZDRYFAGKMUGPDD-IHRRRGAJSA-N 2 2 258.406 0.903 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000386222057 336168205 /nfs/dbraw/zinc/16/82/05/336168205.db2.gz ZDRYFAGKMUGPDD-IHRRRGAJSA-N 2 2 258.406 0.903 20 0 CCADLP Cn1cc(N2CCC[C@H]([N@@H+]3CC[C@@H](C[NH3+])C3)C2=O)cn1 ZINC000430915569 294247520 /nfs/dbraw/zinc/24/75/20/294247520.db2.gz DDXOSIFEHFSYAW-AAEUAGOBSA-N 2 2 277.372 0.196 20 0 CCADLP Cn1cc(N2CCC[C@H]([N@H+]3CC[C@@H](C[NH3+])C3)C2=O)cn1 ZINC000430915569 294247528 /nfs/dbraw/zinc/24/75/28/294247528.db2.gz DDXOSIFEHFSYAW-AAEUAGOBSA-N 2 2 277.372 0.196 20 0 CCADLP CCO[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000385801522 545085688 /nfs/dbraw/zinc/08/56/88/545085688.db2.gz HKMYTTPZKRVCGR-KBPBESRZSA-N 2 2 256.390 0.942 20 0 CCADLP CCO[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000385801522 545085689 /nfs/dbraw/zinc/08/56/89/545085689.db2.gz HKMYTTPZKRVCGR-KBPBESRZSA-N 2 2 256.390 0.942 20 0 CCADLP CCO[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000385801522 545085690 /nfs/dbraw/zinc/08/56/90/545085690.db2.gz HKMYTTPZKRVCGR-KBPBESRZSA-N 2 2 256.390 0.942 20 0 CCADLP CCO[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000385801522 545085691 /nfs/dbraw/zinc/08/56/91/545085691.db2.gz HKMYTTPZKRVCGR-KBPBESRZSA-N 2 2 256.390 0.942 20 0 CCADLP [NH3+][C@@H](C(=O)N1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000037826996 295291567 /nfs/dbraw/zinc/29/15/67/295291567.db2.gz CXIRGTIDWKGTEW-CQSZACIVSA-N 2 2 259.353 0.993 20 0 CCADLP O=C(NCC[NH+]1CCOCC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000170740511 295648383 /nfs/dbraw/zinc/64/83/83/295648383.db2.gz XSXIOLTZXOYDTL-CQSZACIVSA-N 2 2 296.415 0.198 20 0 CCADLP C[C@@H]1COC(C)(C)C[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351628490 297115198 /nfs/dbraw/zinc/11/51/98/297115198.db2.gz JWQQQQCMTMTJPP-YPMHNXCESA-N 2 2 256.390 0.941 20 0 CCADLP C[C@@H]1COC(C)(C)C[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351628490 297115199 /nfs/dbraw/zinc/11/51/99/297115199.db2.gz JWQQQQCMTMTJPP-YPMHNXCESA-N 2 2 256.390 0.941 20 0 CCADLP C[C@@H]1COC(C)(C)C[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351628490 297115201 /nfs/dbraw/zinc/11/52/01/297115201.db2.gz JWQQQQCMTMTJPP-YPMHNXCESA-N 2 2 256.390 0.941 20 0 CCADLP C[C@@H]1COC(C)(C)C[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351628490 297115203 /nfs/dbraw/zinc/11/52/03/297115203.db2.gz JWQQQQCMTMTJPP-YPMHNXCESA-N 2 2 256.390 0.941 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCCC[C@H]1CO ZINC000388741043 545086539 /nfs/dbraw/zinc/08/65/39/545086539.db2.gz JKYUPUYWXYOVFM-UONOGXRCSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCCC[C@H]1CO ZINC000388741043 545086540 /nfs/dbraw/zinc/08/65/40/545086540.db2.gz JKYUPUYWXYOVFM-UONOGXRCSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCCC[C@H]1CO ZINC000388741043 545086541 /nfs/dbraw/zinc/08/65/41/545086541.db2.gz JKYUPUYWXYOVFM-UONOGXRCSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCCC[C@H]1CO ZINC000388741043 545086542 /nfs/dbraw/zinc/08/65/42/545086542.db2.gz JKYUPUYWXYOVFM-UONOGXRCSA-N 2 2 274.405 0.162 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@](C)(C(N)=O)C(C)C ZINC000394048414 545087836 /nfs/dbraw/zinc/08/78/36/545087836.db2.gz KSXHWVNHRHNSGF-DGCLKSJQSA-N 2 2 259.394 0.177 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@](C)(C(N)=O)C(C)C ZINC000394048414 545087837 /nfs/dbraw/zinc/08/78/37/545087837.db2.gz KSXHWVNHRHNSGF-DGCLKSJQSA-N 2 2 259.394 0.177 20 0 CCADLP C[C@H](C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)[NH+]1CCSCC1 ZINC000425056709 298043049 /nfs/dbraw/zinc/04/30/49/298043049.db2.gz KNESMOFJEXJJDP-HZSPNIEDSA-N 2 2 297.468 0.976 20 0 CCADLP C[C@H](C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)[NH+]1CCSCC1 ZINC000425056709 298043052 /nfs/dbraw/zinc/04/30/52/298043052.db2.gz KNESMOFJEXJJDP-HZSPNIEDSA-N 2 2 297.468 0.976 20 0 CCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357074698 298120469 /nfs/dbraw/zinc/12/04/69/298120469.db2.gz IKYYVFWOQGKSLJ-IJLUTSLNSA-N 2 2 296.415 0.541 20 0 CCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357074698 298120471 /nfs/dbraw/zinc/12/04/71/298120471.db2.gz IKYYVFWOQGKSLJ-IJLUTSLNSA-N 2 2 296.415 0.541 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365403106 298122695 /nfs/dbraw/zinc/12/26/95/298122695.db2.gz LLUKXUGXUDJJNT-YPMHNXCESA-N 2 2 296.415 0.779 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365403106 298122697 /nfs/dbraw/zinc/12/26/97/298122697.db2.gz LLUKXUGXUDJJNT-YPMHNXCESA-N 2 2 296.415 0.779 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000061611653 298642869 /nfs/dbraw/zinc/64/28/69/298642869.db2.gz MKNHUBQMXCNBJS-UKRRQHHQSA-N 2 2 291.395 0.566 20 0 CCADLP O=C1CCCCN1CCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422861776 304624658 /nfs/dbraw/zinc/62/46/58/304624658.db2.gz OXVNICBDGMMTGK-GDBMZVCRSA-N 2 2 295.427 0.746 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449653402 528812791 /nfs/dbraw/zinc/81/27/91/528812791.db2.gz CDDNZYNSXDGUCD-JTQLQIEISA-N 2 2 263.332 0.688 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449653402 528812797 /nfs/dbraw/zinc/81/27/97/528812797.db2.gz CDDNZYNSXDGUCD-JTQLQIEISA-N 2 2 263.332 0.688 20 0 CCADLP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000068802069 303056726 /nfs/dbraw/zinc/05/67/26/303056726.db2.gz RALONIXXXBSIIW-JSGCOSHPSA-N 2 2 277.416 0.633 20 0 CCADLP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000068802069 303056728 /nfs/dbraw/zinc/05/67/28/303056728.db2.gz RALONIXXXBSIIW-JSGCOSHPSA-N 2 2 277.416 0.633 20 0 CCADLP NC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428031945 303324012 /nfs/dbraw/zinc/32/40/12/303324012.db2.gz IKWPZIMWZFKKIF-IHRRRGAJSA-N 2 2 259.353 0.897 20 0 CCADLP NC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428031945 303324013 /nfs/dbraw/zinc/32/40/13/303324013.db2.gz IKWPZIMWZFKKIF-IHRRRGAJSA-N 2 2 259.353 0.897 20 0 CCADLP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000423321528 533696574 /nfs/dbraw/zinc/69/65/74/533696574.db2.gz GHVKJHSDJFKMIY-WDEREUQCSA-N 2 2 299.396 0.357 20 0 CCADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[NH+](CCO)CC1 ZINC000387597890 327784257 /nfs/dbraw/zinc/78/42/57/327784257.db2.gz VEQLXQBAROKYJO-LBPRGKRZSA-N 2 2 271.405 0.147 20 0 CCADLP [NH3+]C[C@H]1CCCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000582061788 327826091 /nfs/dbraw/zinc/82/60/91/327826091.db2.gz VCXDYVVDAOZZKL-GFCCVEGCSA-N 2 2 271.324 0.831 20 0 CCADLP O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1Cc1cn2ccccc2[nH+]1 ZINC000316650799 327182418 /nfs/dbraw/zinc/18/24/18/327182418.db2.gz QRARJPKOQBGWET-OAHLLOKOSA-N 2 2 299.334 0.508 20 0 CCADLP COCC[C@H](C)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000583435758 327362435 /nfs/dbraw/zinc/36/24/35/327362435.db2.gz CNLZXKHFZZVJNX-IGQOVBAYSA-N 2 2 274.405 0.471 20 0 CCADLP COCC[C@H](C)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000583435758 327362436 /nfs/dbraw/zinc/36/24/36/327362436.db2.gz CNLZXKHFZZVJNX-IGQOVBAYSA-N 2 2 274.405 0.471 20 0 CCADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(c2ncc(C)s2)CC1 ZINC000584355550 328735610 /nfs/dbraw/zinc/73/56/10/328735610.db2.gz AXHMRNJOIONKBN-ZDUSSCGKSA-N 2 2 284.429 0.544 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000582736213 329134128 /nfs/dbraw/zinc/13/41/28/329134128.db2.gz VIALMJIZVXPKSK-DNOWBOINSA-N 2 2 283.416 0.731 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000582736213 329134130 /nfs/dbraw/zinc/13/41/30/329134130.db2.gz VIALMJIZVXPKSK-DNOWBOINSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000583034728 329305622 /nfs/dbraw/zinc/30/56/22/329305622.db2.gz OUERWAQMHIQDMF-LBPRGKRZSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000583034728 329305624 /nfs/dbraw/zinc/30/56/24/329305624.db2.gz OUERWAQMHIQDMF-LBPRGKRZSA-N 2 2 294.399 0.815 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000583750293 329472872 /nfs/dbraw/zinc/47/28/72/329472872.db2.gz HGQSZGFZOOSVJW-GHMZBOCLSA-N 2 2 266.345 0.827 20 0 CCADLP O=C(NCCCCn1cc[nH+]c1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000584527593 329512579 /nfs/dbraw/zinc/51/25/79/329512579.db2.gz VNWYHYXVKCFHQG-TZMCWYRMSA-N 2 2 262.357 0.779 20 0 CCADLP COC[C@H]([NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC000543455104 330375150 /nfs/dbraw/zinc/37/51/50/330375150.db2.gz SUPCDOUVBOQCGG-KBXIAJHMSA-N 2 2 288.432 0.717 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CC2=CCCOC2)n1C ZINC000379748514 331034661 /nfs/dbraw/zinc/03/46/61/331034661.db2.gz FPKKPVKQORLAAU-UHFFFAOYSA-N 2 2 250.346 0.922 20 0 CCADLP COC(=O)C1(C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000576226894 335173776 /nfs/dbraw/zinc/17/37/76/335173776.db2.gz QGMWPTUJLNOFJO-UHFFFAOYSA-N 2 2 278.356 0.481 20 0 CCADLP [NH3+]Cc1cc(C(=O)N2CC[NH2+]C[C@@H]2C(F)F)co1 ZINC000576228324 335174119 /nfs/dbraw/zinc/17/41/19/335174119.db2.gz IYTJXUNQZFGRDI-SECBINFHSA-N 2 2 259.256 0.417 20 0 CCADLP Cc1nc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)sc1C ZINC000565828548 334600376 /nfs/dbraw/zinc/60/03/76/334600376.db2.gz VULWWJSKMBSJHZ-CYBMUJFWSA-N 2 2 298.456 0.458 20 0 CCADLP O=C(C[NH2+]C1CC1)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000573117014 334910068 /nfs/dbraw/zinc/91/00/68/334910068.db2.gz BKAFKLISLZIWMJ-KGLIPLIRSA-N 2 2 281.400 0.498 20 0 CCADLP C[C@H](CC[NH+](C)C)NC[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000580554617 335279574 /nfs/dbraw/zinc/27/95/74/335279574.db2.gz ZTCRWNKDIWWYTN-TUVASFSCSA-N 2 2 287.448 0.386 20 0 CCADLP COCc1noc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000577178830 335317317 /nfs/dbraw/zinc/31/73/17/335317317.db2.gz NOMULIBBPFEAIY-AXFHLTTASA-N 2 2 266.345 0.775 20 0 CCADLP COCc1noc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000577178830 335317318 /nfs/dbraw/zinc/31/73/18/335317318.db2.gz NOMULIBBPFEAIY-AXFHLTTASA-N 2 2 266.345 0.775 20 0 CCADLP Cc1cccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])n1 ZINC000577207365 335322679 /nfs/dbraw/zinc/32/26/79/335322679.db2.gz KULKCNSHSWBTBX-ZDUSSCGKSA-N 2 2 277.372 0.174 20 0 CCADLP Cc1cccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])n1 ZINC000577207365 335322681 /nfs/dbraw/zinc/32/26/81/335322681.db2.gz KULKCNSHSWBTBX-ZDUSSCGKSA-N 2 2 277.372 0.174 20 0 CCADLP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2nnnn2C2CC2)CC1 ZINC000577396779 335348296 /nfs/dbraw/zinc/34/82/96/335348296.db2.gz ALVQRRRRFKDPBD-OCCSQVGLSA-N 2 2 292.387 0.336 20 0 CCADLP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C)[C@@H]1CCCO1 ZINC000578786149 335675331 /nfs/dbraw/zinc/67/53/31/335675331.db2.gz ARIJYQCYOLHJSX-YODMDTAWSA-N 2 2 292.383 0.897 20 0 CCADLP c1cc(C[NH2+]C[C@H]2C[NH2+]CCCO2)c2c(c1)OCCO2 ZINC000578846816 335680007 /nfs/dbraw/zinc/68/00/07/335680007.db2.gz ULTZIQGTDSXYCP-CYBMUJFWSA-N 2 2 278.352 0.926 20 0 CCADLP NC(=O)CC[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000581126497 336011725 /nfs/dbraw/zinc/01/17/25/336011725.db2.gz OTEHBBNRPNOEFD-UHFFFAOYSA-N 2 2 262.357 0.511 20 0 CCADLP Cc1ccc(OC[C@H](O)C[NH2+]C[C@H](O)C[NH+](C)C)c(C)c1 ZINC000581310663 336045662 /nfs/dbraw/zinc/04/56/62/336045662.db2.gz JXOJZQHTPZJINR-LSDHHAIUSA-N 2 2 296.411 0.555 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]CC1(O)CCC(C)CC1 ZINC000581548317 336100354 /nfs/dbraw/zinc/10/03/54/336100354.db2.gz CUTOFFRWJIIGHQ-UHFFFAOYSA-N 2 2 258.406 0.831 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]CC1(O)CCC(C)CC1 ZINC000581548317 336100355 /nfs/dbraw/zinc/10/03/55/336100355.db2.gz CUTOFFRWJIIGHQ-UHFFFAOYSA-N 2 2 258.406 0.831 20 0 CCADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)NCCn3cc[nH+]c3)[C@@H]2C1 ZINC000581661485 336119697 /nfs/dbraw/zinc/11/96/97/336119697.db2.gz INYPLCWLSNCDCY-QWHCGFSZSA-N 2 2 277.372 0.619 20 0 CCADLP C[N@H+]1C[C@@H]2CCCN(C(=O)NCCn3cc[nH+]c3)[C@@H]2C1 ZINC000581661485 336119698 /nfs/dbraw/zinc/11/96/98/336119698.db2.gz INYPLCWLSNCDCY-QWHCGFSZSA-N 2 2 277.372 0.619 20 0 CCADLP C[N@H+](CC(=O)NC(=O)NC1CCCC1)C1CC([NH3+])C1 ZINC000385072845 336136973 /nfs/dbraw/zinc/13/69/73/336136973.db2.gz VVLTUECESJZSJT-UHFFFAOYSA-N 2 2 268.361 0.176 20 0 CCADLP C[N@@H+](CC(=O)NC(=O)NC1CCCC1)C1CC([NH3+])C1 ZINC000385072845 336136975 /nfs/dbraw/zinc/13/69/75/336136975.db2.gz VVLTUECESJZSJT-UHFFFAOYSA-N 2 2 268.361 0.176 20 0 CCADLP CO[C@H]1CC[N@H+](CCn2cc(C)cn2)[C@@H](C[NH3+])C1 ZINC000385355018 336144596 /nfs/dbraw/zinc/14/45/96/336144596.db2.gz HFWSVGKOZWMCOS-OLZOCXBDSA-N 2 2 252.362 0.630 20 0 CCADLP CO[C@H]1CC[N@@H+](CCn2cc(C)cn2)[C@@H](C[NH3+])C1 ZINC000385355018 336144598 /nfs/dbraw/zinc/14/45/98/336144598.db2.gz HFWSVGKOZWMCOS-OLZOCXBDSA-N 2 2 252.362 0.630 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418382711 533853259 /nfs/dbraw/zinc/85/32/59/533853259.db2.gz YWPPAKQYLAXNLG-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCC1([NH3+])CCC1 ZINC000418504461 533854126 /nfs/dbraw/zinc/85/41/26/533854126.db2.gz AHRYHQASERCELW-LBPRGKRZSA-N 2 2 284.404 0.230 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC[NH2+]1 ZINC000423624211 533933844 /nfs/dbraw/zinc/93/38/44/533933844.db2.gz PGYUHMNYAYXOGS-NFAWXSAZSA-N 2 2 295.427 0.887 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC[NH2+]1 ZINC000423624211 533933852 /nfs/dbraw/zinc/93/38/52/533933852.db2.gz PGYUHMNYAYXOGS-NFAWXSAZSA-N 2 2 295.427 0.887 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)N1CCCCC1 ZINC000420365736 534109263 /nfs/dbraw/zinc/10/92/63/534109263.db2.gz LKUFVIHFIZLWGI-YRGRVCCFSA-N 2 2 253.390 0.975 20 0 CCADLP Cn1cc[nH+]c1[C@H](NC(=O)NCC[NH+](C)C)C1CC1 ZINC000357795182 535884824 /nfs/dbraw/zinc/88/48/24/535884824.db2.gz JWTWQSAXXNUIGU-LLVKDONJSA-N 2 2 265.361 0.732 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000343312992 535944444 /nfs/dbraw/zinc/94/44/44/535944444.db2.gz FTMFRUHVHJODHS-SOUVJXGZSA-N 2 2 267.417 0.733 20 0 CCADLP C[C@@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449384987 534270948 /nfs/dbraw/zinc/27/09/48/534270948.db2.gz DBRDKYGRRXACFR-UONOGXRCSA-N 2 2 266.389 0.708 20 0 CCADLP C[C@@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449384987 534270952 /nfs/dbraw/zinc/27/09/52/534270952.db2.gz DBRDKYGRRXACFR-UONOGXRCSA-N 2 2 266.389 0.708 20 0 CCADLP Cc1c[nH+]c(CNC[C@H]2CCCC[N@@H+]2CCO)n1C ZINC000449398580 534557958 /nfs/dbraw/zinc/55/79/58/534557958.db2.gz VQZWKJHIKOYRPY-CYBMUJFWSA-N 2 2 266.389 0.665 20 0 CCADLP Cc1c[nH+]c(CNC[C@H]2CCCC[N@H+]2CCO)n1C ZINC000449398580 534557965 /nfs/dbraw/zinc/55/79/65/534557965.db2.gz VQZWKJHIKOYRPY-CYBMUJFWSA-N 2 2 266.389 0.665 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000161716799 523792866 /nfs/dbraw/zinc/79/28/66/523792866.db2.gz ZXQGIRMJUMNDEM-MRXNPFEDSA-N 3 2 291.443 0.985 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000161716799 523792871 /nfs/dbraw/zinc/79/28/71/523792871.db2.gz ZXQGIRMJUMNDEM-MRXNPFEDSA-N 3 2 291.443 0.985 20 0 CCADLP C[NH+](C)CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364401953 524056145 /nfs/dbraw/zinc/05/61/45/524056145.db2.gz WEHWIVWJSGVFRO-LLVKDONJSA-N 2 2 250.346 0.513 20 0 CCADLP C[C@H]1C[N@@H+](C2CC[NH+](CCOCC[NH3+])CC2)CCO1 ZINC000357083342 524576420 /nfs/dbraw/zinc/57/64/20/524576420.db2.gz OYSHMFKVOQSRIQ-ZDUSSCGKSA-N 3 2 271.405 0.147 20 0 CCADLP C[C@H]1C[N@H+](C2CC[NH+](CCOCC[NH3+])CC2)CCO1 ZINC000357083342 524576428 /nfs/dbraw/zinc/57/64/28/524576428.db2.gz OYSHMFKVOQSRIQ-ZDUSSCGKSA-N 3 2 271.405 0.147 20 0 CCADLP C[C@@H](CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)[NH+]1CCOCC1 ZINC000366634250 524701579 /nfs/dbraw/zinc/70/15/79/524701579.db2.gz MZWBDFXMKDRWBR-GZBFAFLISA-N 2 2 281.400 0.213 20 0 CCADLP c1nc(N2CC[C@H]([NH+]3CCCC3)C2)c2c([nH+]1)NCCO2 ZINC000665697837 545103586 /nfs/dbraw/zinc/10/35/86/545103586.db2.gz FVTJHWDXHJIWPX-NSHDSACASA-N 2 2 275.356 0.955 20 0 CCADLP COC(=O)N1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000496423931 536429146 /nfs/dbraw/zinc/42/91/46/536429146.db2.gz IMTJUSCZBFIPED-UHFFFAOYSA-N 2 2 252.318 0.576 20 0 CCADLP c1cc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c[nH]1 ZINC000363683870 526428783 /nfs/dbraw/zinc/42/87/83/526428783.db2.gz UXEISRIXPABENB-OAHLLOKOSA-N 2 2 278.400 0.511 20 0 CCADLP CC(C)(C[NH+]1CCOCC1)NC(=O)CCCn1cc[nH+]c1 ZINC000666010520 545111222 /nfs/dbraw/zinc/11/12/22/545111222.db2.gz JLFFEMMPMSMXCZ-UHFFFAOYSA-N 2 2 294.399 0.890 20 0 CCADLP CC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@H]1C[C@H]1C ZINC000666085322 545112114 /nfs/dbraw/zinc/11/21/14/545112114.db2.gz DNSADAILBZIWQN-AGIUHOORSA-N 2 2 253.390 0.785 20 0 CCADLP c1cn(-c2ccc(C[N@@H+]3CCN4CCOC[C@H]4C3)cn2)c[nH+]1 ZINC000368819054 526522990 /nfs/dbraw/zinc/52/29/90/526522990.db2.gz RNYOUYCZYKROLH-OAHLLOKOSA-N 2 2 299.378 0.784 20 0 CCADLP c1cn(-c2ccc(C[N@H+]3CCN4CCOC[C@H]4C3)cn2)c[nH+]1 ZINC000368819054 526522992 /nfs/dbraw/zinc/52/29/92/526522992.db2.gz RNYOUYCZYKROLH-OAHLLOKOSA-N 2 2 299.378 0.784 20 0 CCADLP CO[C@@H](C)CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000666215554 545116144 /nfs/dbraw/zinc/11/61/44/545116144.db2.gz LITQFCZOJWGQSE-LBPRGKRZSA-N 2 2 274.409 0.204 20 0 CCADLP CO[C@@H](C)CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000666215554 545116145 /nfs/dbraw/zinc/11/61/45/545116145.db2.gz LITQFCZOJWGQSE-LBPRGKRZSA-N 2 2 274.409 0.204 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000517381733 536469024 /nfs/dbraw/zinc/46/90/24/536469024.db2.gz NUEAFUHHPYKZQL-CABCVRRESA-N 3 2 269.433 0.765 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000517381733 536469028 /nfs/dbraw/zinc/46/90/28/536469028.db2.gz NUEAFUHHPYKZQL-CABCVRRESA-N 3 2 269.433 0.765 20 0 CCADLP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000423753180 526701085 /nfs/dbraw/zinc/70/10/85/526701085.db2.gz GOBJSWHDHWRPSG-NWDGAFQWSA-N 2 2 269.389 0.339 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)[NH+](C)C ZINC000666243406 545117177 /nfs/dbraw/zinc/11/71/77/545117177.db2.gz HOXQLWFPLFXCFP-NXEZZACHSA-N 2 2 250.346 0.581 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)[NH+](C)C ZINC000666243406 545117178 /nfs/dbraw/zinc/11/71/78/545117178.db2.gz HOXQLWFPLFXCFP-NXEZZACHSA-N 2 2 250.346 0.581 20 0 CCADLP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000423753180 526701094 /nfs/dbraw/zinc/70/10/94/526701094.db2.gz GOBJSWHDHWRPSG-NWDGAFQWSA-N 2 2 269.389 0.339 20 0 CCADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])C2 ZINC000424163698 526814651 /nfs/dbraw/zinc/81/46/51/526814651.db2.gz XXXUNUXOFVXBEA-MXWKQRLJSA-N 2 2 276.384 0.959 20 0 CCADLP CC(C)(CCC[NH3+])NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000418227028 527010372 /nfs/dbraw/zinc/01/03/72/527010372.db2.gz ZWRDCFLBAKEQRS-ZDUSSCGKSA-N 2 2 298.431 0.666 20 0 CCADLP CC(C)(CCC[NH3+])NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000418227028 527010381 /nfs/dbraw/zinc/01/03/81/527010381.db2.gz ZWRDCFLBAKEQRS-ZDUSSCGKSA-N 2 2 298.431 0.666 20 0 CCADLP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H]2C[NH2+]CCO2)cc1 ZINC000667035041 545137465 /nfs/dbraw/zinc/13/74/65/545137465.db2.gz LBTZXMQWOQOEDQ-MRXNPFEDSA-N 3 2 293.411 0.705 20 0 CCADLP Cc1nc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)nn1C ZINC000667133044 545139051 /nfs/dbraw/zinc/13/90/51/545139051.db2.gz PRGKGYPRNJUDTN-UHFFFAOYSA-N 2 2 297.407 0.129 20 0 CCADLP Cc1nc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)nn1C ZINC000667133044 545139052 /nfs/dbraw/zinc/13/90/52/545139052.db2.gz PRGKGYPRNJUDTN-UHFFFAOYSA-N 2 2 297.407 0.129 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)c2[nH+]ccn2C)CC1 ZINC000667249964 545141938 /nfs/dbraw/zinc/14/19/38/545141938.db2.gz DLDXHIIUYMKUPW-RYUDHWBXSA-N 2 2 295.387 0.189 20 0 CCADLP C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667512482 545148939 /nfs/dbraw/zinc/14/89/39/545148939.db2.gz GRGGPIFDTAQJBA-QWRGUYRKSA-N 2 2 262.357 0.915 20 0 CCADLP C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667512482 545148940 /nfs/dbraw/zinc/14/89/40/545148940.db2.gz GRGGPIFDTAQJBA-QWRGUYRKSA-N 2 2 262.357 0.915 20 0 CCADLP Cc1[nH+]cc(CN2CC[NH+](C[C@@H](C)O)CC2)n1C ZINC000667595358 545150551 /nfs/dbraw/zinc/15/05/51/545150551.db2.gz CNXQTZDDFXYQFR-LLVKDONJSA-N 2 2 252.362 0.227 20 0 CCADLP Cc1cn(C)nc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000668198192 545166727 /nfs/dbraw/zinc/16/67/27/545166727.db2.gz ILTFGUUONSMJDB-UHFFFAOYSA-N 2 2 296.419 0.734 20 0 CCADLP Cc1cn(C)nc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000668198192 545166728 /nfs/dbraw/zinc/16/67/28/545166728.db2.gz ILTFGUUONSMJDB-UHFFFAOYSA-N 2 2 296.419 0.734 20 0 CCADLP OC[C@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CC[C@H]1O ZINC000668240601 545169312 /nfs/dbraw/zinc/16/93/12/545169312.db2.gz MUMUQPHVLKFFFJ-IUODEOHRSA-N 2 2 288.351 0.442 20 0 CCADLP OC[C@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC[C@H]1O ZINC000668240601 545169313 /nfs/dbraw/zinc/16/93/13/545169313.db2.gz MUMUQPHVLKFFFJ-IUODEOHRSA-N 2 2 288.351 0.442 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000668436547 545177450 /nfs/dbraw/zinc/17/74/50/545177450.db2.gz IEAOMULLXZYTRE-RYUDHWBXSA-N 2 2 292.383 0.352 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000668436547 545177451 /nfs/dbraw/zinc/17/74/51/545177451.db2.gz IEAOMULLXZYTRE-RYUDHWBXSA-N 2 2 292.383 0.352 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000668436547 545177452 /nfs/dbraw/zinc/17/74/52/545177452.db2.gz IEAOMULLXZYTRE-RYUDHWBXSA-N 2 2 292.383 0.352 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000668436547 545177453 /nfs/dbraw/zinc/17/74/53/545177453.db2.gz IEAOMULLXZYTRE-RYUDHWBXSA-N 2 2 292.383 0.352 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H](O)C1CC1 ZINC000668690702 545187579 /nfs/dbraw/zinc/18/75/79/545187579.db2.gz ZLHMMROAIGOHAO-AWEZNQCLSA-N 2 2 283.416 0.242 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H](O)C1CC1 ZINC000668690702 545187580 /nfs/dbraw/zinc/18/75/80/545187580.db2.gz ZLHMMROAIGOHAO-AWEZNQCLSA-N 2 2 283.416 0.242 20 0 CCADLP CC1(C)OCC[C@H]1[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000453286001 527812437 /nfs/dbraw/zinc/81/24/37/527812437.db2.gz ILOLJLUBKYPWFL-QWHCGFSZSA-N 2 2 256.390 0.990 20 0 CCADLP CC1(C)OCC[C@H]1[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000453286001 527812443 /nfs/dbraw/zinc/81/24/43/527812443.db2.gz ILOLJLUBKYPWFL-QWHCGFSZSA-N 2 2 256.390 0.990 20 0 CCADLP CC(C)OCC[NH+]1CCN(Cc2c[nH+]cn2C)CC1 ZINC000177177576 527963235 /nfs/dbraw/zinc/96/32/35/527963235.db2.gz UWNMEWSWZOEZEP-UHFFFAOYSA-N 2 2 266.389 0.963 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCc3nc(COC)nn3C2)C1 ZINC000358286980 527974790 /nfs/dbraw/zinc/97/47/90/527974790.db2.gz MIZPAQTYTNHPID-YNEHKIRRSA-N 2 2 293.415 0.669 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCc3nc(COC)nn3C2)C1 ZINC000358286980 527974799 /nfs/dbraw/zinc/97/47/99/527974799.db2.gz MIZPAQTYTNHPID-YNEHKIRRSA-N 2 2 293.415 0.669 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+][C@H]2CCc3nc(COC)nn3C2)[C@@H](C)C1 ZINC000358286976 527993279 /nfs/dbraw/zinc/99/32/79/527993279.db2.gz MIZPAQTYTNHPID-AVGNSLFASA-N 2 2 293.415 0.669 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+][C@H]2CCc3nc(COC)nn3C2)[C@@H](C)C1 ZINC000358286976 527993286 /nfs/dbraw/zinc/99/32/86/527993286.db2.gz MIZPAQTYTNHPID-AVGNSLFASA-N 2 2 293.415 0.669 20 0 CCADLP CCOC(=O)[C@H]1C[N@H+](CCn2cc[nH+]c2C)CC12COC2 ZINC000451131238 528080351 /nfs/dbraw/zinc/08/03/51/528080351.db2.gz GYPJGIAJJZULBO-CYBMUJFWSA-N 2 2 293.367 0.703 20 0 CCADLP CCOC(=O)[C@H]1C[N@@H+](CCn2cc[nH+]c2C)CC12COC2 ZINC000451131238 528080352 /nfs/dbraw/zinc/08/03/52/528080352.db2.gz GYPJGIAJJZULBO-CYBMUJFWSA-N 2 2 293.367 0.703 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)NC[C@@H]2CCCC[NH2+]2)CCO1 ZINC000669439237 545208008 /nfs/dbraw/zinc/20/80/08/545208008.db2.gz XZMFLXDJDCNOAW-ZDUSSCGKSA-N 2 2 298.431 0.539 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)NC[C@@H]2CCCC[NH2+]2)CCO1 ZINC000669439237 545208009 /nfs/dbraw/zinc/20/80/09/545208009.db2.gz XZMFLXDJDCNOAW-ZDUSSCGKSA-N 2 2 298.431 0.539 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]([NH3+])c2c(F)cccc2F)CCO1 ZINC000669512689 545211665 /nfs/dbraw/zinc/21/16/65/545211665.db2.gz FZRZDYGULFVDLP-LJUAHTATSA-N 2 2 299.321 0.539 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000418588411 528404577 /nfs/dbraw/zinc/40/45/77/528404577.db2.gz GDOLIUHEKKWWEM-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449647349 528464212 /nfs/dbraw/zinc/46/42/12/528464212.db2.gz PPQLSCDJFXLNKT-KOLCDFICSA-N 2 2 263.332 0.865 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@H]1CC[NH+](CC)C1 ZINC000412883255 528485318 /nfs/dbraw/zinc/48/53/18/528485318.db2.gz VSTSREHUTBHYKR-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@H]1CC[NH+](CC)C1 ZINC000412883255 528485324 /nfs/dbraw/zinc/48/53/24/528485324.db2.gz VSTSREHUTBHYKR-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP CCCC[NH+]1CCOC[C@H]1C(=O)N[C@H]1CC[N@H+](CC)C1 ZINC000412883255 528485326 /nfs/dbraw/zinc/48/53/26/528485326.db2.gz VSTSREHUTBHYKR-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP CCCC[NH+]1CCOC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC)C1 ZINC000412883255 528485332 /nfs/dbraw/zinc/48/53/32/528485332.db2.gz VSTSREHUTBHYKR-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP CCOC1CC([NH2+][C@H]2CCC[N@H+](CCCO)C2)C1 ZINC000449396894 528513135 /nfs/dbraw/zinc/51/31/35/528513135.db2.gz NCTZOIYQSNIRBY-HSBZDZAISA-N 2 2 256.390 0.990 20 0 CCADLP CCOC1CC([NH2+][C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000449396894 528513138 /nfs/dbraw/zinc/51/31/38/528513138.db2.gz NCTZOIYQSNIRBY-HSBZDZAISA-N 2 2 256.390 0.990 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000297370969 528737250 /nfs/dbraw/zinc/73/72/50/528737250.db2.gz JAIIAINIHXDTGY-UHFFFAOYSA-N 2 2 280.372 0.372 20 0 CCADLP CCOC(=O)C[N@@H+]1CCCN(C(=O)CC2(C[NH3+])CC2)CC1 ZINC000423735930 528807680 /nfs/dbraw/zinc/80/76/80/528807680.db2.gz XTUFXSYYPUDXPV-UHFFFAOYSA-N 2 2 297.399 0.213 20 0 CCADLP CCOC(=O)C[N@H+]1CCCN(C(=O)CC2(C[NH3+])CC2)CC1 ZINC000423735930 528807683 /nfs/dbraw/zinc/80/76/83/528807683.db2.gz XTUFXSYYPUDXPV-UHFFFAOYSA-N 2 2 297.399 0.213 20 0 CCADLP CCCC[C@@H](C[NH3+])NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418451352 528808223 /nfs/dbraw/zinc/80/82/23/528808223.db2.gz VWBDDFXBYRNRNE-MELADBBJSA-N 2 2 298.431 0.666 20 0 CCADLP CCCC[C@@H](C[NH3+])NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418451352 528808227 /nfs/dbraw/zinc/80/82/27/528808227.db2.gz VWBDDFXBYRNRNE-MELADBBJSA-N 2 2 298.431 0.666 20 0 CCADLP CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000418216461 528809385 /nfs/dbraw/zinc/80/93/85/528809385.db2.gz ONQZHLPMEZZWTC-GXTWGEPZSA-N 2 2 298.431 0.666 20 0 CCADLP CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000418216461 528809388 /nfs/dbraw/zinc/80/93/88/528809388.db2.gz ONQZHLPMEZZWTC-GXTWGEPZSA-N 2 2 298.431 0.666 20 0 CCADLP CCCC[C@H](C[NH3+])NC(=O)N1CCn2cc[nH+]c2C1 ZINC000418445023 528939025 /nfs/dbraw/zinc/93/90/25/528939025.db2.gz MSTYFIYIADQOCI-LLVKDONJSA-N 2 2 265.361 0.926 20 0 CCADLP CCCC[C@H](C[NH3+])NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000418216468 528942940 /nfs/dbraw/zinc/94/29/40/528942940.db2.gz ONQZHLPMEZZWTC-TZMCWYRMSA-N 2 2 298.431 0.666 20 0 CCADLP CCCC[C@H](C[NH3+])NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000418216468 528942945 /nfs/dbraw/zinc/94/29/45/528942945.db2.gz ONQZHLPMEZZWTC-TZMCWYRMSA-N 2 2 298.431 0.666 20 0 CCADLP CCC[C@@H]([NH3+])C(=O)N1CC[N@H+](CCC(=O)OC)[C@H](C)C1 ZINC000423886217 528963783 /nfs/dbraw/zinc/96/37/83/528963783.db2.gz FDYWRSJOYWFKCQ-VXGBXAGGSA-N 2 2 285.388 0.210 20 0 CCADLP CCC[C@@H]([NH3+])C(=O)N1CC[N@@H+](CCC(=O)OC)[C@H](C)C1 ZINC000423886217 528963787 /nfs/dbraw/zinc/96/37/87/528963787.db2.gz FDYWRSJOYWFKCQ-VXGBXAGGSA-N 2 2 285.388 0.210 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)N(C)CCCn1cc[nH+]c1 ZINC000423832042 528990798 /nfs/dbraw/zinc/99/07/98/528990798.db2.gz XHTBNKWXEPKJEC-LBPRGKRZSA-N 2 2 252.362 0.963 20 0 CCADLP CC(C)[C@H](CO)C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423110935 529023378 /nfs/dbraw/zinc/02/33/78/529023378.db2.gz PODOZUJNUIQMAZ-BFHYXJOUSA-N 2 2 256.390 0.608 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000417931396 529065274 /nfs/dbraw/zinc/06/52/74/529065274.db2.gz VXJMUPBJOXVJSZ-QWHCGFSZSA-N 2 2 291.399 0.943 20 0 CCADLP CC1(C)CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC[NH2+]1 ZINC000423704915 529098138 /nfs/dbraw/zinc/09/81/38/529098138.db2.gz GGOHVYHDCYMMPZ-AWEZNQCLSA-N 2 2 295.427 0.698 20 0 CCADLP CC1(C)CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC[NH2+]1 ZINC000423704915 529098141 /nfs/dbraw/zinc/09/81/41/529098141.db2.gz GGOHVYHDCYMMPZ-AWEZNQCLSA-N 2 2 295.427 0.698 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)C=Cc2c[nH]c[nH+]2)CCO1 ZINC000492760008 529116857 /nfs/dbraw/zinc/11/68/57/529116857.db2.gz CUFIHADYUQRHFR-ARJAWSKDSA-N 2 2 278.356 0.650 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)C=Cc2c[nH]c[nH+]2)CCO1 ZINC000492760008 529116859 /nfs/dbraw/zinc/11/68/59/529116859.db2.gz CUFIHADYUQRHFR-ARJAWSKDSA-N 2 2 278.356 0.650 20 0 CCADLP CN(C)c1nc(N2CC[NH+](C(C)(C)CO)CC2)cc[nH+]1 ZINC000673884846 545294562 /nfs/dbraw/zinc/29/45/62/545294562.db2.gz AELGZCHTNWEWHW-UHFFFAOYSA-N 2 2 279.388 0.436 20 0 CCADLP CC[C@H]1C[N@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@H]1O ZINC000425342762 529297257 /nfs/dbraw/zinc/29/72/57/529297257.db2.gz ZYAKNRMCSOTRMR-CMPLNLGQSA-N 2 2 252.362 0.689 20 0 CCADLP CC[C@H]1C[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@H]1O ZINC000425342762 529297261 /nfs/dbraw/zinc/29/72/61/529297261.db2.gz ZYAKNRMCSOTRMR-CMPLNLGQSA-N 2 2 252.362 0.689 20 0 CCADLP C[C@H]1C[C@@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000674000674 545298346 /nfs/dbraw/zinc/29/83/46/545298346.db2.gz UATTXQDXHURAPM-AAEUAGOBSA-N 2 2 253.390 0.785 20 0 CCADLP C[NH+]1CCN(C[C@@H]2C[N@@H+]([C@H]3CCCOC3)CCO2)CC1 ZINC000674301988 545303884 /nfs/dbraw/zinc/30/38/84/545303884.db2.gz XSHIFMOVYQBYTL-LSDHHAIUSA-N 2 2 283.416 0.114 20 0 CCADLP C[NH+]1CCN(C[C@@H]2C[N@H+]([C@H]3CCCOC3)CCO2)CC1 ZINC000674301988 545303885 /nfs/dbraw/zinc/30/38/85/545303885.db2.gz XSHIFMOVYQBYTL-LSDHHAIUSA-N 2 2 283.416 0.114 20 0 CCADLP CC(C)[C@H](C[NH2+][C@H]1C[NH2+]CC[C@H]1C)N1CC[NH+](C)CC1 ZINC000422964009 535022357 /nfs/dbraw/zinc/02/23/57/535022357.db2.gz KEDQFPHBTLYWSY-PMPSAXMXSA-N 3 2 282.476 0.846 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000674882571 545317137 /nfs/dbraw/zinc/31/71/37/545317137.db2.gz RGXRJICSSOIPAL-FMKPAKJESA-N 3 2 280.460 0.695 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000674882571 545317138 /nfs/dbraw/zinc/31/71/38/545317138.db2.gz RGXRJICSSOIPAL-FMKPAKJESA-N 3 2 280.460 0.695 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000674880499 545317379 /nfs/dbraw/zinc/31/73/79/545317379.db2.gz KGPPQLQFOVYMAJ-MCYUEQNJSA-N 2 2 294.399 0.247 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000674880499 545317380 /nfs/dbraw/zinc/31/73/80/545317380.db2.gz KGPPQLQFOVYMAJ-MCYUEQNJSA-N 2 2 294.399 0.247 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000362226969 535259706 /nfs/dbraw/zinc/25/97/06/535259706.db2.gz PNBKSDNRYZUPAY-CABCVRRESA-N 2 2 297.443 0.897 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000362226969 535259710 /nfs/dbraw/zinc/25/97/10/535259710.db2.gz PNBKSDNRYZUPAY-CABCVRRESA-N 2 2 297.443 0.897 20 0 CCADLP CC(C)OCCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000360881931 535320615 /nfs/dbraw/zinc/32/06/15/535320615.db2.gz DJEMQEJBLKXILW-UHFFFAOYSA-N 2 2 285.432 0.944 20 0 CCADLP CC(C)OCC[C@@H](O)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000349220780 535341551 /nfs/dbraw/zinc/34/15/51/535341551.db2.gz YGZIUCZDKMMUQY-CQSZACIVSA-N 2 2 296.415 0.703 20 0 CCADLP CC1(C)C[NH+](CC(=O)N[C@H]2CCC[N@H+](CCCO)C2)C1 ZINC000514826331 535352935 /nfs/dbraw/zinc/35/29/35/535352935.db2.gz JPNSIMBBOHTQSW-ZDUSSCGKSA-N 2 2 283.416 0.291 20 0 CCADLP CC1(C)C[NH+](CC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000514826331 535352936 /nfs/dbraw/zinc/35/29/36/535352936.db2.gz JPNSIMBBOHTQSW-ZDUSSCGKSA-N 2 2 283.416 0.291 20 0 CCADLP CCNC(=O)[C@H](C)[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000360973324 535403360 /nfs/dbraw/zinc/40/33/60/535403360.db2.gz BQUXXZGJEXOXFG-LBPRGKRZSA-N 2 2 299.415 0.518 20 0 CCADLP COC1CC[NH+](CCNc2nc(C)[nH+]c(N(C)C)n2)CC1 ZINC000676083091 545335112 /nfs/dbraw/zinc/33/51/12/545335112.db2.gz YXCWGQMHDRZYCF-UHFFFAOYSA-N 2 2 294.403 0.769 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000676232948 545337379 /nfs/dbraw/zinc/33/73/79/545337379.db2.gz CCVZGJBDNIOBMW-FRRDWIJNSA-N 2 2 295.387 0.290 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000676232948 545337380 /nfs/dbraw/zinc/33/73/80/545337380.db2.gz CCVZGJBDNIOBMW-FRRDWIJNSA-N 2 2 295.387 0.290 20 0 CCADLP C[C@H](NC(=O)N1CCC[N@H+](C)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000676303436 545340381 /nfs/dbraw/zinc/34/03/81/545340381.db2.gz CAYNWQXMAFHEKI-STQMWFEESA-N 2 2 284.404 0.053 20 0 CCADLP C[C@H](NC(=O)N1CCC[N@@H+](C)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000676303436 545340382 /nfs/dbraw/zinc/34/03/82/545340382.db2.gz CAYNWQXMAFHEKI-STQMWFEESA-N 2 2 284.404 0.053 20 0 CCADLP C[C@H](NC(=O)N1CCC[NH+](C)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000676303436 545340383 /nfs/dbraw/zinc/34/03/83/545340383.db2.gz CAYNWQXMAFHEKI-STQMWFEESA-N 2 2 284.404 0.053 20 0 CCADLP C[C@H](NC(=O)N1CCC[NH+](C)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676303436 545340384 /nfs/dbraw/zinc/34/03/84/545340384.db2.gz CAYNWQXMAFHEKI-STQMWFEESA-N 2 2 284.404 0.053 20 0 CCADLP C[NH+]1CCC([N@H+](CCO)C[C@@H]2CNc3ccnn3C2)CC1 ZINC000676413995 545343792 /nfs/dbraw/zinc/34/37/92/545343792.db2.gz LYYSITYBJHLMKI-ZDUSSCGKSA-N 2 2 293.415 0.313 20 0 CCADLP C[NH+]1CCC([N@@H+](CCO)C[C@@H]2CNc3ccnn3C2)CC1 ZINC000676413995 545343793 /nfs/dbraw/zinc/34/37/93/545343793.db2.gz LYYSITYBJHLMKI-ZDUSSCGKSA-N 2 2 293.415 0.313 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2nncn2C)CC1 ZINC000358803678 535641120 /nfs/dbraw/zinc/64/11/20/535641120.db2.gz FXMJVVUGWHGFEM-RYUDHWBXSA-N 2 2 294.403 0.018 20 0 CCADLP CCOCC[C@@H](O)C[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000515415127 535663513 /nfs/dbraw/zinc/66/35/13/535663513.db2.gz QGWAASXKTOWRAT-UONOGXRCSA-N 2 2 274.405 0.332 20 0 CCADLP O=C(NCC[NH+]1CCC1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000676948275 545355508 /nfs/dbraw/zinc/35/55/08/545355508.db2.gz CZLOTGDKDCPXIN-OAHLLOKOSA-N 2 2 288.395 0.868 20 0 CCADLP O=C(NCC[NH+]1CCC1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000676948275 545355509 /nfs/dbraw/zinc/35/55/09/545355509.db2.gz CZLOTGDKDCPXIN-OAHLLOKOSA-N 2 2 288.395 0.868 20 0 CCADLP O=C(NCCc1cn2ccccc2[nH+]1)NCC[NH+]1CCC1 ZINC000677006557 545356531 /nfs/dbraw/zinc/35/65/31/545356531.db2.gz SGQVCVIAIXEGPA-UHFFFAOYSA-N 2 2 287.367 0.882 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cn2cccc(F)c2n1 ZINC000677322382 545363718 /nfs/dbraw/zinc/36/37/18/545363718.db2.gz DOJUYZJQNQSEEL-AWEZNQCLSA-N 2 2 280.347 0.876 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000343312992 535944439 /nfs/dbraw/zinc/94/44/39/535944439.db2.gz FTMFRUHVHJODHS-SOUVJXGZSA-N 2 2 267.417 0.733 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1)C(=O)OC ZINC000252784883 535961352 /nfs/dbraw/zinc/96/13/52/535961352.db2.gz OUZKFWPVRVLHAG-MNXVOIDGSA-N 2 2 299.415 0.359 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1)C(=O)OC ZINC000252784883 535961354 /nfs/dbraw/zinc/96/13/54/535961354.db2.gz OUZKFWPVRVLHAG-MNXVOIDGSA-N 2 2 299.415 0.359 20 0 CCADLP CN(C(=O)CCc1c[nH+]cn1C)[C@H]1C[NH+]2CCC1CC2 ZINC000356001395 535980164 /nfs/dbraw/zinc/98/01/64/535980164.db2.gz OQEWGKYWIVFHHY-AWEZNQCLSA-N 2 2 276.384 0.905 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NCC[NH+]2CCCC2)no1 ZINC000359166623 535982108 /nfs/dbraw/zinc/98/21/08/535982108.db2.gz QVVLOEWREKKGKC-UHFFFAOYSA-N 2 2 266.345 0.562 20 0 CCADLP O=C(NCc1cn2ccccc2[nH+]1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000677851788 545374421 /nfs/dbraw/zinc/37/44/21/545374421.db2.gz QPAQUXSTJVUVPI-AWEZNQCLSA-N 2 2 299.378 0.340 20 0 CCADLP O=C(NCc1cn2ccccc2[nH+]1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000677851788 545374422 /nfs/dbraw/zinc/37/44/22/545374422.db2.gz QPAQUXSTJVUVPI-AWEZNQCLSA-N 2 2 299.378 0.340 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000678080537 545383826 /nfs/dbraw/zinc/38/38/26/545383826.db2.gz CSTDSVFWYHKSCS-OCCSQVGLSA-N 2 2 281.400 0.437 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000678080537 545383827 /nfs/dbraw/zinc/38/38/27/545383827.db2.gz CSTDSVFWYHKSCS-OCCSQVGLSA-N 2 2 281.400 0.437 20 0 CCADLP C[N@H+](CCC(=O)NC1CCCC1)C1CC[NH+](CCO)CC1 ZINC000357653912 536305460 /nfs/dbraw/zinc/30/54/60/536305460.db2.gz XOUYPKACDBNOLJ-UHFFFAOYSA-N 2 2 297.443 0.824 20 0 CCADLP C[N@@H+](CCC(=O)NC1CCCC1)C1CC[NH+](CCO)CC1 ZINC000357653912 536305461 /nfs/dbraw/zinc/30/54/61/536305461.db2.gz XOUYPKACDBNOLJ-UHFFFAOYSA-N 2 2 297.443 0.824 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCOCC3)C2)CC1 ZINC000362705563 536339673 /nfs/dbraw/zinc/33/96/73/536339673.db2.gz YCOKCTQNPIKNER-CYBMUJFWSA-N 2 2 296.415 0.197 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCOCC3)C2)CC1 ZINC000362705563 536339674 /nfs/dbraw/zinc/33/96/74/536339674.db2.gz YCOKCTQNPIKNER-CYBMUJFWSA-N 2 2 296.415 0.197 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000362813575 536359008 /nfs/dbraw/zinc/35/90/08/536359008.db2.gz IBFFWGLRRSRNSB-HNNXBMFYSA-N 2 2 294.443 0.367 20 0 CCADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000362813575 536359010 /nfs/dbraw/zinc/35/90/10/536359010.db2.gz IBFFWGLRRSRNSB-HNNXBMFYSA-N 2 2 294.443 0.367 20 0 CCADLP CC(C)(CO)[NH+]1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000679314931 545406556 /nfs/dbraw/zinc/40/65/56/545406556.db2.gz TUHMMHAVUVRNJJ-UHFFFAOYSA-N 2 2 280.372 0.188 20 0 CCADLP COC[C@@H]([NH3+])C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000262462688 536672682 /nfs/dbraw/zinc/67/26/82/536672682.db2.gz XIGBYSOZMWNKNL-CYBMUJFWSA-N 2 2 293.367 0.431 20 0 CCADLP COc1cc[nH+]c(CN2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000680071175 545422501 /nfs/dbraw/zinc/42/25/01/545422501.db2.gz XTCJAEDIZUDZKM-AWEZNQCLSA-N 2 2 277.368 0.997 20 0 CCADLP COc1ccc(NC(=O)CC[N@@H+]2CCO[C@@H](C[NH3+])C2)cc1 ZINC000358116243 536759157 /nfs/dbraw/zinc/75/91/57/536759157.db2.gz GQSFUHFHRABRCW-AWEZNQCLSA-N 2 2 293.367 0.683 20 0 CCADLP COc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](C[NH3+])C2)cc1 ZINC000358116243 536759167 /nfs/dbraw/zinc/75/91/67/536759167.db2.gz GQSFUHFHRABRCW-AWEZNQCLSA-N 2 2 293.367 0.683 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@]3(C)CCOC3)C2)CC1 ZINC000680396914 545427641 /nfs/dbraw/zinc/42/76/41/545427641.db2.gz BNRLUMKCYLXIBH-CZUORRHYSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@]3(C)CCOC3)C2)CC1 ZINC000680396914 545427642 /nfs/dbraw/zinc/42/76/42/545427642.db2.gz BNRLUMKCYLXIBH-CZUORRHYSA-N 2 2 295.427 0.698 20 0 CCADLP COCC[NH+]1CCC([N@H+](C)[C@H](C)C[S@@](C)=O)CC1 ZINC000362069337 536857555 /nfs/dbraw/zinc/85/75/55/536857555.db2.gz UKMSRQDBMQQMJA-KZULUSFZSA-N 2 2 276.446 0.796 20 0 CCADLP COCC[NH+]1CCC([N@@H+](C)[C@H](C)C[S@@](C)=O)CC1 ZINC000362069337 536857566 /nfs/dbraw/zinc/85/75/66/536857566.db2.gz UKMSRQDBMQQMJA-KZULUSFZSA-N 2 2 276.446 0.796 20 0 CCADLP CCc1nn(C)cc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000680815038 545435059 /nfs/dbraw/zinc/43/50/59/545435059.db2.gz IPISTRDBSONGKE-ZDUSSCGKSA-N 2 2 252.362 0.139 20 0 CCADLP CCc1nn(C)cc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000680815038 545435060 /nfs/dbraw/zinc/43/50/60/545435060.db2.gz IPISTRDBSONGKE-ZDUSSCGKSA-N 2 2 252.362 0.139 20 0 CCADLP Cc1cncc([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)c1 ZINC000681052790 545440973 /nfs/dbraw/zinc/44/09/73/545440973.db2.gz UERTVBKCQOVDBB-ZDUSSCGKSA-N 2 2 276.384 0.815 20 0 CCADLP Cn1cc(-c2cc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)on2)cn1 ZINC000681098946 545443007 /nfs/dbraw/zinc/44/30/07/545443007.db2.gz ATVGNLXJQFGKMN-GHMZBOCLSA-N 2 2 273.340 0.726 20 0 CCADLP CN(C)c1nc(N2CC[N@H+](CCO)C(C)(C)C2)cc[nH+]1 ZINC000681991989 545468769 /nfs/dbraw/zinc/46/87/69/545468769.db2.gz LEHRKKIROQOGLT-UHFFFAOYSA-N 2 2 279.388 0.436 20 0 CCADLP CN(C)c1nc(N2CC[N@@H+](CCO)C(C)(C)C2)cc[nH+]1 ZINC000681991989 545468770 /nfs/dbraw/zinc/46/87/70/545468770.db2.gz LEHRKKIROQOGLT-UHFFFAOYSA-N 2 2 279.388 0.436 20 0 CCADLP CC[C@H](NC(=O)CN1CC[NH+](C)CC1)c1[nH]cc[nH+]1 ZINC000682041765 545471477 /nfs/dbraw/zinc/47/14/77/545471477.db2.gz WJOYHDVMKDXSBC-NSHDSACASA-N 2 2 265.361 0.224 20 0 CCADLP CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@H]1C[NH+]2CCC1CC2 ZINC000682501366 545481009 /nfs/dbraw/zinc/48/10/09/545481009.db2.gz STGGGULRIHOEEI-KBPBESRZSA-N 2 2 288.395 0.998 20 0 CCADLP C[C@H](c1nnnn1C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000682523551 545481982 /nfs/dbraw/zinc/48/19/82/545481982.db2.gz WLDVXMOATNBDDT-GHMZBOCLSA-N 2 2 261.333 0.805 20 0 CCADLP C[C@H](c1nnnn1C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000682523551 545481983 /nfs/dbraw/zinc/48/19/83/545481983.db2.gz WLDVXMOATNBDDT-GHMZBOCLSA-N 2 2 261.333 0.805 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CC1)[C@@H]1C[NH+](C)CCO1 ZINC000683862063 545573227 /nfs/dbraw/zinc/57/32/27/545573227.db2.gz IUWHSVJXDDKLNU-UBHSHLNASA-N 2 2 281.400 0.449 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CC1)[C@@H]1C[NH+](C)CCO1 ZINC000683862063 545573231 /nfs/dbraw/zinc/57/32/31/545573231.db2.gz IUWHSVJXDDKLNU-UBHSHLNASA-N 2 2 281.400 0.449 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCC[NH+]1C1CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000683862063 545573236 /nfs/dbraw/zinc/57/32/36/545573236.db2.gz IUWHSVJXDDKLNU-UBHSHLNASA-N 2 2 281.400 0.449 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCC[NH+]1C1CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000683862063 545573241 /nfs/dbraw/zinc/57/32/41/545573241.db2.gz IUWHSVJXDDKLNU-UBHSHLNASA-N 2 2 281.400 0.449 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)C1 ZINC000683895419 545577276 /nfs/dbraw/zinc/57/72/76/545577276.db2.gz VAVQRZQPXPTYOA-CYBMUJFWSA-N 2 2 291.399 0.790 20 0 CCADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CCCC(=O)N1 ZINC000683931393 545586515 /nfs/dbraw/zinc/58/65/15/545586515.db2.gz DEQFHBXJKFLCBN-GFCCVEGCSA-N 2 2 262.357 0.906 20 0 CCADLP Cc1nn(C(C)C)cc1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000684928080 545762344 /nfs/dbraw/zinc/76/23/44/545762344.db2.gz ZEVWHWVVPUYEMZ-UHFFFAOYSA-N 2 2 293.415 0.636 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(C)C)C[C@H]21 ZINC000962398350 649899865 /nfs/dbraw/zinc/89/98/65/649899865.db2.gz RQAXBQWGNQLOGG-JYAVWHMHSA-N 2 2 276.384 0.963 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(C)C)C[C@H]21 ZINC000962398350 649899868 /nfs/dbraw/zinc/89/98/68/649899868.db2.gz RQAXBQWGNQLOGG-JYAVWHMHSA-N 2 2 276.384 0.963 20 0 CCADLP O=C1NCC2(CC[NH+](CCCn3cc[nH+]c3)CC2)O1 ZINC000781996377 581284381 /nfs/dbraw/zinc/28/43/81/581284381.db2.gz BKKMCLHKSIMARE-UHFFFAOYSA-N 2 2 264.329 0.848 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000781998081 581284561 /nfs/dbraw/zinc/28/45/61/581284561.db2.gz JLOPENYPOSKSFM-UHFFFAOYSA-N 2 2 264.329 0.766 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000793289444 581292186 /nfs/dbraw/zinc/29/21/86/581292186.db2.gz ALKMSDIICNDASG-STQMWFEESA-N 2 2 278.356 0.322 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000793289444 581292188 /nfs/dbraw/zinc/29/21/88/581292188.db2.gz ALKMSDIICNDASG-STQMWFEESA-N 2 2 278.356 0.322 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000793289444 581292191 /nfs/dbraw/zinc/29/21/91/581292191.db2.gz ALKMSDIICNDASG-STQMWFEESA-N 2 2 278.356 0.322 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000793289444 581292194 /nfs/dbraw/zinc/29/21/94/581292194.db2.gz ALKMSDIICNDASG-STQMWFEESA-N 2 2 278.356 0.322 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000793289436 581292476 /nfs/dbraw/zinc/29/24/76/581292476.db2.gz ALKMSDIICNDASG-CHWSQXEVSA-N 2 2 278.356 0.322 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000793289436 581292478 /nfs/dbraw/zinc/29/24/78/581292478.db2.gz ALKMSDIICNDASG-CHWSQXEVSA-N 2 2 278.356 0.322 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000793289436 581292480 /nfs/dbraw/zinc/29/24/80/581292480.db2.gz ALKMSDIICNDASG-CHWSQXEVSA-N 2 2 278.356 0.322 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000793289436 581292482 /nfs/dbraw/zinc/29/24/82/581292482.db2.gz ALKMSDIICNDASG-CHWSQXEVSA-N 2 2 278.356 0.322 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[N@@H+]1C ZINC000793574510 581303496 /nfs/dbraw/zinc/30/34/96/581303496.db2.gz RXVBIGIPWQGUFG-LLVKDONJSA-N 2 2 250.346 0.515 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CC[N@H+]1C ZINC000793574510 581303499 /nfs/dbraw/zinc/30/34/99/581303499.db2.gz RXVBIGIPWQGUFG-LLVKDONJSA-N 2 2 250.346 0.515 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC000793927472 581320782 /nfs/dbraw/zinc/32/07/82/581320782.db2.gz GTWLMVFJOIOLBP-NEPJUHHUSA-N 2 2 262.357 0.671 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC000793927472 581320783 /nfs/dbraw/zinc/32/07/83/581320783.db2.gz GTWLMVFJOIOLBP-NEPJUHHUSA-N 2 2 262.357 0.671 20 0 CCADLP C[C@H]1COCC[N@H+](CN2C[C@H](c3c[nH+]cn3C)CC2=O)C1 ZINC000783989231 581369999 /nfs/dbraw/zinc/36/99/99/581369999.db2.gz FQRIIMMAGFBTCY-CHWSQXEVSA-N 2 2 292.383 0.662 20 0 CCADLP C[C@H]1COCC[N@@H+](CN2C[C@H](c3c[nH+]cn3C)CC2=O)C1 ZINC000783989231 581370001 /nfs/dbraw/zinc/37/00/01/581370001.db2.gz FQRIIMMAGFBTCY-CHWSQXEVSA-N 2 2 292.383 0.662 20 0 CCADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H](O)CO)CC2)cc1 ZINC000785984008 581425913 /nfs/dbraw/zinc/42/59/13/581425913.db2.gz BKIRHECORWSAPA-INIZCTEOSA-N 2 2 293.411 0.664 20 0 CCADLP C[C@H]1CN(C(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)CCO1 ZINC000796461611 581441435 /nfs/dbraw/zinc/44/14/35/581441435.db2.gz QHGUANRSQDVLFJ-RDGKXADDSA-N 2 2 295.427 0.791 20 0 CCADLP C[C@H]1CN(C(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)CCO1 ZINC000796461611 581441438 /nfs/dbraw/zinc/44/14/38/581441438.db2.gz QHGUANRSQDVLFJ-RDGKXADDSA-N 2 2 295.427 0.791 20 0 CCADLP C[C@H]1CN(C(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCO1 ZINC000796461611 581441440 /nfs/dbraw/zinc/44/14/40/581441440.db2.gz QHGUANRSQDVLFJ-RDGKXADDSA-N 2 2 295.427 0.791 20 0 CCADLP C[C@H]1CN(C(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000796461611 581441442 /nfs/dbraw/zinc/44/14/42/581441442.db2.gz QHGUANRSQDVLFJ-RDGKXADDSA-N 2 2 295.427 0.791 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CCN1CC[NH+](CC[S@@](C)=O)CC1 ZINC000767429182 581613600 /nfs/dbraw/zinc/61/36/00/581613600.db2.gz LUISEILNHDKVPA-AUUYWEPGSA-N 2 2 287.473 0.467 20 0 CCADLP C[N@H+]1CCC[C@@H]1CCN1CC[NH+](CC[S@@](C)=O)CC1 ZINC000767429182 581613601 /nfs/dbraw/zinc/61/36/01/581613601.db2.gz LUISEILNHDKVPA-AUUYWEPGSA-N 2 2 287.473 0.467 20 0 CCADLP CCC1(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)COC1 ZINC000755367667 581637564 /nfs/dbraw/zinc/63/75/64/581637564.db2.gz WMKNQEMXDPXGJF-UHFFFAOYSA-N 2 2 297.443 0.897 20 0 CCADLP CCC1(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)COC1 ZINC000755367667 581637567 /nfs/dbraw/zinc/63/75/67/581637567.db2.gz WMKNQEMXDPXGJF-UHFFFAOYSA-N 2 2 297.443 0.897 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=S)NC3CC3)C2)CC1 ZINC000732721344 581844835 /nfs/dbraw/zinc/84/48/35/581844835.db2.gz QKVUSPKIVVFFLI-LBPRGKRZSA-N 2 2 282.457 0.781 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=S)NC3CC3)C2)CC1 ZINC000732721344 581844837 /nfs/dbraw/zinc/84/48/37/581844837.db2.gz QKVUSPKIVVFFLI-LBPRGKRZSA-N 2 2 282.457 0.781 20 0 CCADLP C[NH+]1CCN(C(=O)CNc2cc[nH+]c(C3CC3)n2)CC1 ZINC000732919988 581854542 /nfs/dbraw/zinc/85/45/42/581854542.db2.gz BNQYZMJVCVYWDI-UHFFFAOYSA-N 2 2 275.356 0.540 20 0 CCADLP C[C@H]1C(=O)N([C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(=O)N1C ZINC000761302980 581904628 /nfs/dbraw/zinc/90/46/28/581904628.db2.gz MGALOPRUWHGBIP-WCQYABFASA-N 2 2 294.399 0.437 20 0 CCADLP C[C@H]1C(=O)N([C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(=O)N1C ZINC000761302980 581904631 /nfs/dbraw/zinc/90/46/31/581904631.db2.gz MGALOPRUWHGBIP-WCQYABFASA-N 2 2 294.399 0.437 20 0 CCADLP Cc1cc(NCC(C)(C)[NH+]2CCS(=O)CC2)nc(N)[nH+]1 ZINC000746466219 581914523 /nfs/dbraw/zinc/91/45/23/581914523.db2.gz MBNQIVVFQSVJSH-UHFFFAOYSA-N 2 2 297.428 0.622 20 0 CCADLP C[NH+](C)CC(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000748369786 581972329 /nfs/dbraw/zinc/97/23/29/581972329.db2.gz OVIODAUWANLCJB-UHFFFAOYSA-N 2 2 263.332 0.736 20 0 CCADLP C[NH+](C)CC(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000748369786 581972331 /nfs/dbraw/zinc/97/23/31/581972331.db2.gz OVIODAUWANLCJB-UHFFFAOYSA-N 2 2 263.332 0.736 20 0 CCADLP NC(=O)C1([NH2+]C[C@@H](O)C[NH+]2CCCC2)CCCCC1 ZINC000749360457 582003832 /nfs/dbraw/zinc/00/38/32/582003832.db2.gz NPLOHYGGANRTSM-GFCCVEGCSA-N 2 2 269.389 0.221 20 0 CCADLP OCCCC[NH+]1CCN(CCCn2cc[nH+]c2)CC1 ZINC000775990047 582048829 /nfs/dbraw/zinc/04/88/29/582048829.db2.gz SJJHFWXYDSESKJ-UHFFFAOYSA-N 2 2 266.389 0.663 20 0 CCADLP C[C@@H](C(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1)[NH+](C)C ZINC000750616271 582053769 /nfs/dbraw/zinc/05/37/69/582053769.db2.gz RQQRAUZHDDCNHQ-QWRGUYRKSA-N 2 2 284.429 0.572 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H](O)C(C)(C)C ZINC000765044600 582085311 /nfs/dbraw/zinc/08/53/11/582085311.db2.gz YTEQGXHCVAIAAY-AWEZNQCLSA-N 2 2 299.459 0.878 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H](O)C(C)(C)C ZINC000765044600 582085313 /nfs/dbraw/zinc/08/53/13/582085313.db2.gz YTEQGXHCVAIAAY-AWEZNQCLSA-N 2 2 299.459 0.878 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCOCC[C@@H]1C ZINC000846847837 616964801 /nfs/dbraw/zinc/96/48/01/616964801.db2.gz OQEYTQZZGGINHZ-QWHCGFSZSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCOCC[C@@H]1C ZINC000846847837 616964806 /nfs/dbraw/zinc/96/48/06/616964806.db2.gz OQEYTQZZGGINHZ-QWHCGFSZSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCOCC[C@@H]1C ZINC000846847837 616964809 /nfs/dbraw/zinc/96/48/09/616964809.db2.gz OQEYTQZZGGINHZ-QWHCGFSZSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCOCC[C@@H]1C ZINC000846847837 616964815 /nfs/dbraw/zinc/96/48/15/616964815.db2.gz OQEYTQZZGGINHZ-QWHCGFSZSA-N 2 2 260.378 0.036 20 0 CCADLP C[C@H](F)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963017763 649907883 /nfs/dbraw/zinc/90/78/83/649907883.db2.gz KAYRAXLBAKDNFB-CIQGVGRVSA-N 2 2 280.347 0.678 20 0 CCADLP C[C@H](F)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963017763 649907885 /nfs/dbraw/zinc/90/78/85/649907885.db2.gz KAYRAXLBAKDNFB-CIQGVGRVSA-N 2 2 280.347 0.678 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC000963021397 649907874 /nfs/dbraw/zinc/90/78/74/649907874.db2.gz QLJSTVNAZQCLSL-IMRBUKKESA-N 2 2 260.341 0.340 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC000963021397 649907876 /nfs/dbraw/zinc/90/78/76/649907876.db2.gz QLJSTVNAZQCLSL-IMRBUKKESA-N 2 2 260.341 0.340 20 0 CCADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccccc1 ZINC000925691774 617177243 /nfs/dbraw/zinc/17/72/43/617177243.db2.gz MLQXLQIADXBXIY-GDBMZVCRSA-N 3 2 276.428 0.960 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000911825548 614119031 /nfs/dbraw/zinc/11/90/31/614119031.db2.gz ISCSMXPKHUEBNU-PWSUYJOCSA-N 2 2 250.346 0.545 20 0 CCADLP C(C[NH2+][C@@H]1C[NH2+]CCOC1)COC[C@H]1CCOC1 ZINC000925523574 613225370 /nfs/dbraw/zinc/22/53/70/613225370.db2.gz TXKXQHWWHQMFLB-CHWSQXEVSA-N 2 2 258.362 0.008 20 0 CCADLP C/C(=C/C(=O)NCC[NH+]1CCC1)C[NH+]1CCOCC1 ZINC000901182203 613236022 /nfs/dbraw/zinc/23/60/22/613236022.db2.gz ZEKQYDCYSVYSEW-QBFSEMIESA-N 2 2 267.373 0.087 20 0 CCADLP C/C(=C\C(=O)NCC1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000900484623 613256013 /nfs/dbraw/zinc/25/60/13/613256013.db2.gz MVHKBCDVEGLHPU-SDNWHVSQSA-N 2 2 295.427 0.723 20 0 CCADLP CC(=O)N1CC[NH+](CCNc2cc[nH+]cc2C2CC2)CC1 ZINC000872412582 613414593 /nfs/dbraw/zinc/41/45/93/613414593.db2.gz SNLQOWRIUNJFNE-UHFFFAOYSA-N 2 2 288.395 0.957 20 0 CCADLP CC(C)(C)CC[C@@H]([NH3+])C[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000904376624 613914866 /nfs/dbraw/zinc/91/48/66/613914866.db2.gz VIQDCPRAEFFQHD-VXGBXAGGSA-N 2 2 291.461 0.764 20 0 CCADLP CC(C)(C)N1CC[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)C1=O ZINC000925709287 613937607 /nfs/dbraw/zinc/93/76/07/613937607.db2.gz HQYAJALHDRNING-SNIKSBKOSA-N 2 2 277.412 0.972 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](CCO[C@@H]2CCOC2)CC1 ZINC000930613850 613939326 /nfs/dbraw/zinc/93/93/26/613939326.db2.gz PMCGJUVOTSBZCF-CQSZACIVSA-N 2 2 286.416 0.617 20 0 CCADLP CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1)[NH+](C)C ZINC000968999641 614074598 /nfs/dbraw/zinc/07/45/98/614074598.db2.gz XXSHMSRXOCSCJF-YPMHNXCESA-N 2 2 295.387 0.346 20 0 CCADLP CC(C)C[NH2+]C1(CO)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000912588551 614144058 /nfs/dbraw/zinc/14/40/58/614144058.db2.gz JKMPAINYPOIZKP-UHFFFAOYSA-N 2 2 294.399 0.482 20 0 CCADLP CC(C)[C@@H]1COCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000924839681 614164647 /nfs/dbraw/zinc/16/46/47/614164647.db2.gz OHUMQFDWKPQGEO-KBPBESRZSA-N 2 2 283.416 0.411 20 0 CCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000876998914 614164673 /nfs/dbraw/zinc/16/46/73/614164673.db2.gz UDLODZKVDOSWOD-LBPRGKRZSA-N 2 2 277.372 0.125 20 0 CCADLP CC(C)COC[C@@H](O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000923399080 614165649 /nfs/dbraw/zinc/16/56/49/614165649.db2.gz NXMAGDSTTAZSJF-STQMWFEESA-N 2 2 256.390 0.894 20 0 CCADLP CC(C)[C@H](CNC(=[NH2+])NCC1CC1)[NH+]1CCN(C)CC1 ZINC000887347051 614208287 /nfs/dbraw/zinc/20/82/87/614208287.db2.gz DDQCCUHOHFGYIY-AWEZNQCLSA-N 2 2 281.448 0.782 20 0 CCADLP CC(C)=CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000969441181 614285247 /nfs/dbraw/zinc/28/52/47/614285247.db2.gz ITMXICANZGXJFQ-UKRRQHHQSA-N 2 2 295.427 0.720 20 0 CCADLP CC(C)=CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000969441181 614285251 /nfs/dbraw/zinc/28/52/51/614285251.db2.gz ITMXICANZGXJFQ-UKRRQHHQSA-N 2 2 295.427 0.720 20 0 CCADLP CC(C)[C@](C)(C[NH3+])NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876536012 614286919 /nfs/dbraw/zinc/28/69/19/614286919.db2.gz SRXZEYYBCGTDRE-WSNITJDQSA-N 2 2 269.389 0.364 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H](NC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000867458026 614349203 /nfs/dbraw/zinc/34/92/03/614349203.db2.gz IIJKRKJUUIBCHY-DRDHIDPGSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)[N@H+]1CCC[C@H](NC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000867458026 614349205 /nfs/dbraw/zinc/34/92/05/614349205.db2.gz IIJKRKJUUIBCHY-DRDHIDPGSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)N1CC[NH+](CCC(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000900590498 614360573 /nfs/dbraw/zinc/36/05/73/614360573.db2.gz OYGFYSYQQFWIAZ-HNNXBMFYSA-N 2 2 296.459 0.613 20 0 CCADLP CC(C)N1CC[NH+](CCC(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000900590498 614360575 /nfs/dbraw/zinc/36/05/75/614360575.db2.gz OYGFYSYQQFWIAZ-HNNXBMFYSA-N 2 2 296.459 0.613 20 0 CCADLP CC1(C)CC[C@@H](CNC(=O)/C=C\C[NH+]2CCOCC2)[NH2+]C1 ZINC000877151722 614555853 /nfs/dbraw/zinc/55/58/53/614555853.db2.gz QGCACXIKKVBZDD-NQHOJNORSA-N 2 2 295.427 0.769 20 0 CCADLP CCN(C(=O)C1CC[NH+](C(C)C)CC1)C1C[NH+](CCO)C1 ZINC000957076770 614587711 /nfs/dbraw/zinc/58/77/11/614587711.db2.gz FTCWHOZJBSAYSH-UHFFFAOYSA-N 2 2 297.443 0.632 20 0 CCADLP CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000891517930 614604971 /nfs/dbraw/zinc/60/49/71/614604971.db2.gz NCWGLFRKOYGYQI-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1C[NH+](CCC(C)C)C1 ZINC000949830189 614635567 /nfs/dbraw/zinc/63/55/67/614635567.db2.gz FVZPZKMOFGPICW-HNNXBMFYSA-N 2 2 297.443 0.896 20 0 CCADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1C[NH+](CCC(C)C)C1 ZINC000949830189 614635569 /nfs/dbraw/zinc/63/55/69/614635569.db2.gz FVZPZKMOFGPICW-HNNXBMFYSA-N 2 2 297.443 0.896 20 0 CCADLP CCC1(CC)CNC(=O)[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000897345798 614687307 /nfs/dbraw/zinc/68/73/07/614687307.db2.gz PHPXRWVCPZMZTI-GFCCVEGCSA-N 2 2 253.390 0.975 20 0 CCADLP CCC1([NH+]2CCCC2)CC[NH+](C[C@H](O)CO)CC1 ZINC000931466835 614706327 /nfs/dbraw/zinc/70/63/27/614706327.db2.gz YHEZIJQBCIMKRJ-ZDUSSCGKSA-N 2 2 256.390 0.680 20 0 CCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC[C@H]1CCCS1(=O)=O ZINC000925765545 614807097 /nfs/dbraw/zinc/80/70/97/614807097.db2.gz KSUNBZJEZPKTMX-MNOVXSKESA-N 2 2 260.403 0.684 20 0 CCADLP CC1(C)[NH2+]CC[C@H]1[NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC000902500929 614808748 /nfs/dbraw/zinc/80/87/48/614808748.db2.gz NZTZZPMHDVMMQS-GHMZBOCLSA-N 2 2 277.372 0.491 20 0 CCADLP CCCNC(=[NH2+])NCC1([NH+]2CCOCC2)CCOCC1 ZINC000849040310 614839025 /nfs/dbraw/zinc/83/90/25/614839025.db2.gz SHBJOGMWMTWJFL-UHFFFAOYSA-N 2 2 284.404 0.392 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+](CCO)Cc1ccc(OC)cc1 ZINC000880572565 614849599 /nfs/dbraw/zinc/84/95/99/614849599.db2.gz WVUNOCZZZSNDBW-OAHLLOKOSA-N 2 2 296.411 0.802 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](CCO)Cc1ccc(OC)cc1 ZINC000880572565 614849601 /nfs/dbraw/zinc/84/96/01/614849601.db2.gz WVUNOCZZZSNDBW-OAHLLOKOSA-N 2 2 296.411 0.802 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](CCO)Cc1ccc(OC)cc1 ZINC000880572565 614849603 /nfs/dbraw/zinc/84/96/03/614849603.db2.gz WVUNOCZZZSNDBW-OAHLLOKOSA-N 2 2 296.411 0.802 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](CCO)Cc1ccc(OC)cc1 ZINC000880572565 614849606 /nfs/dbraw/zinc/84/96/06/614849606.db2.gz WVUNOCZZZSNDBW-OAHLLOKOSA-N 2 2 296.411 0.802 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](Cc2nc(C)no2)C1 ZINC000933563288 614850915 /nfs/dbraw/zinc/85/09/15/614850915.db2.gz ANXNQUXBDONSPE-ZIAGYGMSSA-N 2 2 296.415 0.945 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](Cc2nc(C)no2)C1 ZINC000933563288 614850916 /nfs/dbraw/zinc/85/09/16/614850916.db2.gz ANXNQUXBDONSPE-ZIAGYGMSSA-N 2 2 296.415 0.945 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](Cc2nc(C)no2)C1 ZINC000933563288 614850919 /nfs/dbraw/zinc/85/09/19/614850919.db2.gz ANXNQUXBDONSPE-ZIAGYGMSSA-N 2 2 296.415 0.945 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](Cc2nc(C)no2)C1 ZINC000933563288 614850922 /nfs/dbraw/zinc/85/09/22/614850922.db2.gz ANXNQUXBDONSPE-ZIAGYGMSSA-N 2 2 296.415 0.945 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(OC(C)=O)CC1 ZINC000846835595 614866322 /nfs/dbraw/zinc/86/63/22/614866322.db2.gz XPKKGWXGWBBWNJ-LBPRGKRZSA-N 2 2 258.362 0.327 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(OC(C)=O)CC1 ZINC000846835595 614866324 /nfs/dbraw/zinc/86/63/24/614866324.db2.gz XPKKGWXGWBBWNJ-LBPRGKRZSA-N 2 2 258.362 0.327 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000870982886 614886791 /nfs/dbraw/zinc/88/67/91/614886791.db2.gz OCRMDGKJEIVCKG-AWEZNQCLSA-N 2 2 296.459 0.613 20 0 CCADLP CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000971820676 614893359 /nfs/dbraw/zinc/89/33/59/614893359.db2.gz GQWVCNPUQOSKJT-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000971820676 614893361 /nfs/dbraw/zinc/89/33/61/614893361.db2.gz GQWVCNPUQOSKJT-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP CCCCC[N@H+](CC(N)=O)CC(=O)NC1CC[NH+](C)CC1 ZINC000878389849 614918435 /nfs/dbraw/zinc/91/84/35/614918435.db2.gz WKMCGTUWNUPMOS-UHFFFAOYSA-N 2 2 298.431 0.174 20 0 CCADLP CCCCC[N@@H+](CC(N)=O)CC(=O)NC1CC[NH+](C)CC1 ZINC000878389849 614918438 /nfs/dbraw/zinc/91/84/38/614918438.db2.gz WKMCGTUWNUPMOS-UHFFFAOYSA-N 2 2 298.431 0.174 20 0 CCADLP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000957286789 614980129 /nfs/dbraw/zinc/98/01/29/614980129.db2.gz FVLYRFKPTWIWGE-OAHLLOKOSA-N 2 2 297.443 0.778 20 0 CCADLP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000957286789 614980131 /nfs/dbraw/zinc/98/01/31/614980131.db2.gz FVLYRFKPTWIWGE-OAHLLOKOSA-N 2 2 297.443 0.778 20 0 CCADLP CC[NH+](CC)CCN(CCOC)C(=O)Cc1[nH]cc[nH+]1 ZINC000826554221 614993859 /nfs/dbraw/zinc/99/38/59/614993859.db2.gz ICHRSCWYEHREFB-UHFFFAOYSA-N 2 2 282.388 0.769 20 0 CCADLP CC1=NO[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000855415376 614996489 /nfs/dbraw/zinc/99/64/89/614996489.db2.gz WSYWZTHAQDDMHU-LBPRGKRZSA-N 2 2 270.377 0.151 20 0 CCADLP CC1=NO[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000855415376 614996493 /nfs/dbraw/zinc/99/64/93/614996493.db2.gz WSYWZTHAQDDMHU-LBPRGKRZSA-N 2 2 270.377 0.151 20 0 CCADLP CCNC(=O)N1CC[C@H]([NH2+][C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000925587783 615056700 /nfs/dbraw/zinc/05/67/00/615056700.db2.gz JTDBTIGTRPSECD-WOPDTQHZSA-N 2 2 254.378 0.520 20 0 CCADLP CC[N@H+](CCS(C)(=O)=O)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903755748 615059241 /nfs/dbraw/zinc/05/92/41/615059241.db2.gz LFXVLWCUYGLZDD-OLZOCXBDSA-N 2 2 290.429 0.122 20 0 CCADLP CC[N@@H+](CCS(C)(=O)=O)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903755748 615059242 /nfs/dbraw/zinc/05/92/42/615059242.db2.gz LFXVLWCUYGLZDD-OLZOCXBDSA-N 2 2 290.429 0.122 20 0 CCADLP CC[NH2+]C1CC2(CC(NC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC000965279730 615074174 /nfs/dbraw/zinc/07/41/74/615074174.db2.gz HBUNEEGQVMTAEL-UHFFFAOYSA-N 2 2 262.357 0.989 20 0 CCADLP CC[NH2+]CC1CC(NC(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000962800563 615081565 /nfs/dbraw/zinc/08/15/65/615081565.db2.gz DTNZUCNHBRRLNE-ZALBZXLWSA-N 2 2 295.427 0.602 20 0 CCADLP CC[NH2+]CC1CC(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000962011010 615081806 /nfs/dbraw/zinc/08/18/06/615081806.db2.gz ZONCZQRZHGFETC-CPCZMJQVSA-N 2 2 276.384 0.950 20 0 CCADLP CC[NH2+]CCNC(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000911749992 615087140 /nfs/dbraw/zinc/08/71/40/615087140.db2.gz DAMXJMPCVPDULU-OLZOCXBDSA-N 2 2 271.405 0.602 20 0 CCADLP CC[NH2+]CCNC(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000911749992 615087141 /nfs/dbraw/zinc/08/71/41/615087141.db2.gz DAMXJMPCVPDULU-OLZOCXBDSA-N 2 2 271.405 0.602 20 0 CCADLP CC[NH+]1CCC([N@@H+]2CCCN(CN3CCC3=O)CC2)CC1 ZINC000857237689 615099694 /nfs/dbraw/zinc/09/96/94/615099694.db2.gz ZZKKIUNLQOMDBL-UHFFFAOYSA-N 2 2 294.443 0.668 20 0 CCADLP CC[NH+]1CCC([N@H+]2CCCN(CN3CCC3=O)CC2)CC1 ZINC000857237689 615099695 /nfs/dbraw/zinc/09/96/95/615099695.db2.gz ZZKKIUNLQOMDBL-UHFFFAOYSA-N 2 2 294.443 0.668 20 0 CCADLP CCNS(=O)(=O)CC[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000817912902 615105602 /nfs/dbraw/zinc/10/56/02/615105602.db2.gz YRMGYZNMKYVQSZ-JSGCOSHPSA-N 2 2 299.440 0.474 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000877435186 615109065 /nfs/dbraw/zinc/10/90/65/615109065.db2.gz YWQVKHYLXIYYMK-NWDGAFQWSA-N 2 2 257.378 0.211 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000877435186 615109066 /nfs/dbraw/zinc/10/90/66/615109066.db2.gz YWQVKHYLXIYYMK-NWDGAFQWSA-N 2 2 257.378 0.211 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]CCC(=O)N(C)OC ZINC000819049805 615113189 /nfs/dbraw/zinc/11/31/89/615113189.db2.gz GDDOBGQOIGKSKD-GFCCVEGCSA-N 2 2 257.378 0.860 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]CCC(=O)N(C)OC ZINC000819049805 615113187 /nfs/dbraw/zinc/11/31/87/615113187.db2.gz GDDOBGQOIGKSKD-GFCCVEGCSA-N 2 2 257.378 0.860 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000970610081 615117800 /nfs/dbraw/zinc/11/78/00/615117800.db2.gz VLCYTXNIEUFORO-LLVKDONJSA-N 2 2 250.346 0.563 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000970228407 615118722 /nfs/dbraw/zinc/11/87/22/615118722.db2.gz SQJRPUYTDDYZJT-WDEREUQCSA-N 2 2 250.346 0.799 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000970228407 615118724 /nfs/dbraw/zinc/11/87/24/615118724.db2.gz SQJRPUYTDDYZJT-WDEREUQCSA-N 2 2 250.346 0.799 20 0 CCADLP CC[NH2+][C@H]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000981356010 615134526 /nfs/dbraw/zinc/13/45/26/615134526.db2.gz BOJQZJJSANHJNO-QWRGUYRKSA-N 2 2 250.346 0.989 20 0 CCADLP CC[N@@H+]1CCC[C@H](CNC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000865048412 615135123 /nfs/dbraw/zinc/13/51/23/615135123.db2.gz SHOAKIXGRHWNMC-ZDTYVGOBSA-N 2 2 295.427 0.723 20 0 CCADLP CC[N@H+]1CCC[C@H](CNC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000865048412 615135124 /nfs/dbraw/zinc/13/51/24/615135124.db2.gz SHOAKIXGRHWNMC-ZDTYVGOBSA-N 2 2 295.427 0.723 20 0 CCADLP CC[N@@H+]1CCC[C@H](C[NH2+]C2CC(S(C)(=O)=O)C2)C1 ZINC000892743250 615135614 /nfs/dbraw/zinc/13/56/14/615135614.db2.gz LXTMEEBFXFGYIP-PNESKVBLSA-N 2 2 274.430 0.884 20 0 CCADLP CC[N@H+]1CCC[C@H](C[NH2+]C2CC(S(C)(=O)=O)C2)C1 ZINC000892743250 615135615 /nfs/dbraw/zinc/13/56/15/615135615.db2.gz LXTMEEBFXFGYIP-PNESKVBLSA-N 2 2 274.430 0.884 20 0 CCADLP CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC000972656742 615177549 /nfs/dbraw/zinc/17/75/49/615177549.db2.gz WCNUVQCIRKJMKL-HNNXBMFYSA-N 2 2 292.383 0.584 20 0 CCADLP CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC000972656742 615177550 /nfs/dbraw/zinc/17/75/50/615177550.db2.gz WCNUVQCIRKJMKL-HNNXBMFYSA-N 2 2 292.383 0.584 20 0 CCADLP CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000972487164 615189704 /nfs/dbraw/zinc/18/97/04/615189704.db2.gz LROWIJNLARMHRC-OAHLLOKOSA-N 2 2 292.383 0.596 20 0 CCADLP CC[N@H+]1CCO[C@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000972487164 615189706 /nfs/dbraw/zinc/18/97/06/615189706.db2.gz LROWIJNLARMHRC-OAHLLOKOSA-N 2 2 292.383 0.596 20 0 CCADLP CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000972699758 615190613 /nfs/dbraw/zinc/19/06/13/615190613.db2.gz MSHHQGHINNOIGC-CQSZACIVSA-N 2 2 278.356 0.206 20 0 CCADLP CC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000972699758 615190616 /nfs/dbraw/zinc/19/06/16/615190616.db2.gz MSHHQGHINNOIGC-CQSZACIVSA-N 2 2 278.356 0.206 20 0 CCADLP CCN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CC)C1 ZINC000869249085 615206093 /nfs/dbraw/zinc/20/60/93/615206093.db2.gz YBDMWVNDBLQJLU-PWSUYJOCSA-N 2 2 266.345 0.386 20 0 CCADLP CCN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CC)C1 ZINC000869249085 615206094 /nfs/dbraw/zinc/20/60/94/615206094.db2.gz YBDMWVNDBLQJLU-PWSUYJOCSA-N 2 2 266.345 0.386 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000947762703 615213328 /nfs/dbraw/zinc/21/33/28/615213328.db2.gz YUNHKHGNEGHIHZ-GHMZBOCLSA-N 2 2 250.346 0.941 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000947762703 615213330 /nfs/dbraw/zinc/21/33/30/615213330.db2.gz YUNHKHGNEGHIHZ-GHMZBOCLSA-N 2 2 250.346 0.941 20 0 CCADLP CCOC(=O)[C@@H]1C[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903874463 615305827 /nfs/dbraw/zinc/30/58/27/615305827.db2.gz BEDOVBHWFZHHJT-YDHLFZDLSA-N 2 2 298.383 0.019 20 0 CCADLP CCOC(=O)[C@@H]1C[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903874463 615305829 /nfs/dbraw/zinc/30/58/29/615305829.db2.gz BEDOVBHWFZHHJT-YDHLFZDLSA-N 2 2 298.383 0.019 20 0 CCADLP CCOC[C@H](O)C[N@H+](CC[NH3+])CCc1ccccc1 ZINC000923350322 615316833 /nfs/dbraw/zinc/31/68/33/615316833.db2.gz DCEYQYFIGPYJKQ-OAHLLOKOSA-N 2 2 266.385 0.887 20 0 CCADLP CCOC[C@H](O)C[N@@H+](CC[NH3+])CCc1ccccc1 ZINC000923350322 615316836 /nfs/dbraw/zinc/31/68/36/615316836.db2.gz DCEYQYFIGPYJKQ-OAHLLOKOSA-N 2 2 266.385 0.887 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000866423609 615328634 /nfs/dbraw/zinc/32/86/34/615328634.db2.gz XJKYCIOJTRCUAK-NTZNESFSSA-N 2 2 278.356 0.528 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000866423609 615328637 /nfs/dbraw/zinc/32/86/37/615328637.db2.gz XJKYCIOJTRCUAK-NTZNESFSSA-N 2 2 278.356 0.528 20 0 CCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000928578973 615371835 /nfs/dbraw/zinc/37/18/35/615371835.db2.gz OPGCTYONSMKXGE-STQMWFEESA-N 2 2 297.399 0.082 20 0 CCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000928578973 615371837 /nfs/dbraw/zinc/37/18/37/615371837.db2.gz OPGCTYONSMKXGE-STQMWFEESA-N 2 2 297.399 0.082 20 0 CCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000928578973 615371839 /nfs/dbraw/zinc/37/18/39/615371839.db2.gz OPGCTYONSMKXGE-STQMWFEESA-N 2 2 297.399 0.082 20 0 CCADLP CCOC(=O)[C@H]1CCC[NH+](CC(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000928578973 615371841 /nfs/dbraw/zinc/37/18/41/615371841.db2.gz OPGCTYONSMKXGE-STQMWFEESA-N 2 2 297.399 0.082 20 0 CCADLP CCOC(=O)[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000932638700 615378392 /nfs/dbraw/zinc/37/83/92/615378392.db2.gz JUOCRRFGRMMETK-AAEUAGOBSA-N 2 2 270.373 0.327 20 0 CCADLP CCOC(=O)[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000932638700 615378394 /nfs/dbraw/zinc/37/83/94/615378394.db2.gz JUOCRRFGRMMETK-AAEUAGOBSA-N 2 2 270.373 0.327 20 0 CCADLP CCOC(=O)[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000932638700 615378398 /nfs/dbraw/zinc/37/83/98/615378398.db2.gz JUOCRRFGRMMETK-AAEUAGOBSA-N 2 2 270.373 0.327 20 0 CCADLP CCOC(=O)[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000932638700 615378401 /nfs/dbraw/zinc/37/84/01/615378401.db2.gz JUOCRRFGRMMETK-AAEUAGOBSA-N 2 2 270.373 0.327 20 0 CCADLP CC[C@@H](C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C)[NH+](C)C ZINC000912391427 615380799 /nfs/dbraw/zinc/38/07/99/615380799.db2.gz OGZISVHVFKXZIP-AVGNSLFASA-N 2 2 271.405 0.552 20 0 CCADLP CC[C@@H](C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C)[NH+](C)C ZINC000912391427 615380803 /nfs/dbraw/zinc/38/08/03/615380803.db2.gz OGZISVHVFKXZIP-AVGNSLFASA-N 2 2 271.405 0.552 20 0 CCADLP CC[C@@H](C(=O)NCC[C@H]1CC[NH2+]C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911769551 615381335 /nfs/dbraw/zinc/38/13/35/615381335.db2.gz VHLSHYJIDCDPJD-KFWWJZLASA-N 2 2 297.443 0.992 20 0 CCADLP CC[C@@H](C(=O)NCC[C@H]1CC[NH2+]C1)[N@H+]1CCO[C@H](CC)C1 ZINC000911769551 615381341 /nfs/dbraw/zinc/38/13/41/615381341.db2.gz VHLSHYJIDCDPJD-KFWWJZLASA-N 2 2 297.443 0.992 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902432386 615389000 /nfs/dbraw/zinc/38/90/00/615389000.db2.gz HEOYQOXOJDKCJH-TUVASFSCSA-N 2 2 289.379 0.494 20 0 CCADLP CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](C[C@@H](O)C[NH+](C)C3CC3)C[C@@H]21 ZINC000932057613 615391194 /nfs/dbraw/zinc/39/11/94/615391194.db2.gz UFLSWGZLLZLNHQ-LJISPDSOSA-N 2 2 296.411 0.573 20 0 CCADLP CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](C[C@@H](O)C[NH+](C)C3CC3)C[C@@H]21 ZINC000932057613 615391196 /nfs/dbraw/zinc/39/11/96/615391196.db2.gz UFLSWGZLLZLNHQ-LJISPDSOSA-N 2 2 296.411 0.573 20 0 CCADLP CCOC(=O)[C@@H]1[C@@H]2CC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)C[C@@H]21 ZINC000932057613 615391197 /nfs/dbraw/zinc/39/11/97/615391197.db2.gz UFLSWGZLLZLNHQ-LJISPDSOSA-N 2 2 296.411 0.573 20 0 CCADLP CCOC(=O)[C@@H]1[C@@H]2CC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)C[C@@H]21 ZINC000932057613 615391199 /nfs/dbraw/zinc/39/11/99/615391199.db2.gz UFLSWGZLLZLNHQ-LJISPDSOSA-N 2 2 296.411 0.573 20 0 CCADLP CCO[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH+](C)C ZINC000831718308 615405864 /nfs/dbraw/zinc/40/58/64/615405864.db2.gz KHCNMXUECMMIPW-JTQLQIEISA-N 2 2 254.334 0.035 20 0 CCADLP CCO[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH+](C)C ZINC000831703850 615406035 /nfs/dbraw/zinc/40/60/35/615406035.db2.gz ZAIWVEDSRLRFCD-NSHDSACASA-N 2 2 254.334 0.035 20 0 CCADLP CCO[C@@H](C[NH2+]Cc1cc(C(=O)OC)n(C)c1)C[NH+](C)C ZINC000922754058 615410280 /nfs/dbraw/zinc/41/02/80/615410280.db2.gz MKFGIMRTFDEYGS-ZDUSSCGKSA-N 2 2 297.399 0.868 20 0 CCADLP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000960643223 615440263 /nfs/dbraw/zinc/44/02/63/615440263.db2.gz AYRHDERXNMYVIW-CIQGVGRVSA-N 2 2 274.368 0.512 20 0 CCADLP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000960643223 615440264 /nfs/dbraw/zinc/44/02/64/615440264.db2.gz AYRHDERXNMYVIW-CIQGVGRVSA-N 2 2 274.368 0.512 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923316153 615540781 /nfs/dbraw/zinc/54/07/81/615540781.db2.gz SRJPTHGBJQEKBL-RYUDHWBXSA-N 2 2 290.429 0.120 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923316153 615540783 /nfs/dbraw/zinc/54/07/83/615540783.db2.gz SRJPTHGBJQEKBL-RYUDHWBXSA-N 2 2 290.429 0.120 20 0 CCADLP CC[C@H](C(=O)NCC[NH2+]C1CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911755710 615565066 /nfs/dbraw/zinc/56/50/66/615565066.db2.gz VFXIQHUGSJGVFV-ZIAGYGMSSA-N 2 2 283.416 0.744 20 0 CCADLP CC[C@H](C(=O)NCC[NH2+]C1CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000911755710 615565067 /nfs/dbraw/zinc/56/50/67/615565067.db2.gz VFXIQHUGSJGVFV-ZIAGYGMSSA-N 2 2 283.416 0.744 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000877433582 615568413 /nfs/dbraw/zinc/56/84/13/615568413.db2.gz XKHROBUYROQKQJ-OCCSQVGLSA-N 2 2 269.389 0.213 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000877433582 615568414 /nfs/dbraw/zinc/56/84/14/615568414.db2.gz XKHROBUYROQKQJ-OCCSQVGLSA-N 2 2 269.389 0.213 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000874703480 615568447 /nfs/dbraw/zinc/56/84/47/615568447.db2.gz VJMNGRVODJATAU-CHWSQXEVSA-N 2 2 269.389 0.165 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000874703480 615568448 /nfs/dbraw/zinc/56/84/48/615568448.db2.gz VJMNGRVODJATAU-CHWSQXEVSA-N 2 2 269.389 0.165 20 0 CCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000874703480 615568449 /nfs/dbraw/zinc/56/84/49/615568449.db2.gz VJMNGRVODJATAU-CHWSQXEVSA-N 2 2 269.389 0.165 20 0 CCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000874703480 615568450 /nfs/dbraw/zinc/56/84/50/615568450.db2.gz VJMNGRVODJATAU-CHWSQXEVSA-N 2 2 269.389 0.165 20 0 CCADLP CC[C@@H]1C[C@@H](CN2CC[NH2+]CC[NH2+]CC2)CCO1 ZINC000904396002 615570887 /nfs/dbraw/zinc/57/08/87/615570887.db2.gz BJSDGZVRNLYTHC-UONOGXRCSA-N 2 2 255.406 0.686 20 0 CCADLP CC[C@H](C(=O)N1CCN(Cc2c[nH+]cn2C)CC1)[NH+](C)C ZINC000957356454 615601169 /nfs/dbraw/zinc/60/11/69/615601169.db2.gz RFKGCPPTMLTFEV-CQSZACIVSA-N 2 2 293.415 0.405 20 0 CCADLP CC[C@H](C[NH+]1CCN(C(=O)Cn2cc[nH+]c2)CC1)OC ZINC000957899731 615713677 /nfs/dbraw/zinc/71/36/77/615713677.db2.gz LANHRYMDZTWPJN-CYBMUJFWSA-N 2 2 280.372 0.452 20 0 CCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CCC[N@H+](CCCO)CC1 ZINC000948813175 615827246 /nfs/dbraw/zinc/82/72/46/615827246.db2.gz VXDLYXUNEWBZQZ-CQSZACIVSA-N 2 2 294.399 0.648 20 0 CCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CCC[N@@H+](CCCO)CC1 ZINC000948813175 615827250 /nfs/dbraw/zinc/82/72/50/615827250.db2.gz VXDLYXUNEWBZQZ-CQSZACIVSA-N 2 2 294.399 0.648 20 0 CCADLP C[NH+](C)C1(C(=O)N2CC[NH2+][C@@H](c3ccc(O)cc3)C2)CC1 ZINC000870089512 615841232 /nfs/dbraw/zinc/84/12/32/615841232.db2.gz CQYGKDIACBETHE-CQSZACIVSA-N 2 2 289.379 0.959 20 0 CCADLP C[NH+](C)C1(C)CCC([NH2+][C@H]2C[NH2+]CCOC2)CC1 ZINC000925731384 615845215 /nfs/dbraw/zinc/84/52/15/615845215.db2.gz BIGBNBNKOUAPLX-MOKVOYLWSA-N 3 2 255.406 0.827 20 0 CCADLP C[NH+](C)C1(C)CCN(CC[NH+]2CCOCC2)CC1 ZINC000931350413 615846016 /nfs/dbraw/zinc/84/60/16/615846016.db2.gz JJISYQVXYUOZOJ-UHFFFAOYSA-N 2 2 255.406 0.735 20 0 CCADLP C[NH+](C)C1(C)CC[NH+](CCN2CCOCC2)CC1 ZINC000931350413 615846017 /nfs/dbraw/zinc/84/60/17/615846017.db2.gz JJISYQVXYUOZOJ-UHFFFAOYSA-N 2 2 255.406 0.735 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)NCC2([NH+](C)C)CC2)c1 ZINC000922821229 615848674 /nfs/dbraw/zinc/84/86/74/615848674.db2.gz IJRIUQPBSAOBGG-UHFFFAOYSA-N 2 2 265.361 0.356 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC1 ZINC000877958577 615863620 /nfs/dbraw/zinc/86/36/20/615863620.db2.gz MJHICZMGQKZDGN-SOUVJXGZSA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+](C)CC(C)(C)NC(=O)CNc1cccc[nH+]1 ZINC000909558776 615868284 /nfs/dbraw/zinc/86/82/84/615868284.db2.gz FMFXYENALWWYPS-UHFFFAOYSA-N 2 2 250.346 0.950 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931481991 615872874 /nfs/dbraw/zinc/87/28/74/615872874.db2.gz YHZPUOXEYBUCKC-UHFFFAOYSA-N 3 2 266.389 0.351 20 0 CCADLP Cn1cc([C@H]2CN(C(=O)CCCC[NH+](C)C)CC[NH2+]2)cn1 ZINC000913469303 615876154 /nfs/dbraw/zinc/87/61/54/615876154.db2.gz RKIQMLDIACZKQV-CQSZACIVSA-N 2 2 293.415 0.625 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC000824437981 615878795 /nfs/dbraw/zinc/87/87/95/615878795.db2.gz GOPNHXOKSARJNZ-UHFFFAOYSA-N 3 2 270.421 0.082 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC000824437981 615878796 /nfs/dbraw/zinc/87/87/96/615878796.db2.gz GOPNHXOKSARJNZ-UHFFFAOYSA-N 3 2 270.421 0.082 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC/C=C/Cl ZINC000899034914 615879655 /nfs/dbraw/zinc/87/96/55/615879655.db2.gz LWNTXWKUSKDIDK-GQCTYLIASA-N 2 2 276.812 0.922 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC/C=C/Cl ZINC000899034914 615879657 /nfs/dbraw/zinc/87/96/57/615879657.db2.gz LWNTXWKUSKDIDK-GQCTYLIASA-N 2 2 276.812 0.922 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(Cl)nn1 ZINC000855414318 615880128 /nfs/dbraw/zinc/88/01/28/615880128.db2.gz ARHAWFCWDWERIL-UHFFFAOYSA-N 2 2 299.806 0.743 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(Cl)nn1 ZINC000855414318 615880129 /nfs/dbraw/zinc/88/01/29/615880129.db2.gz ARHAWFCWDWERIL-UHFFFAOYSA-N 2 2 299.806 0.743 20 0 CCADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865177301 615896084 /nfs/dbraw/zinc/89/60/84/615896084.db2.gz DORYGLINVCFCPA-AAEUAGOBSA-N 2 2 296.371 0.012 20 0 CCADLP CN(C)CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000914016963 615897372 /nfs/dbraw/zinc/89/73/72/615897372.db2.gz MDAAWSGJGRBGGN-AWEZNQCLSA-N 2 2 297.447 0.016 20 0 CCADLP CN(C)CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000914016963 615897373 /nfs/dbraw/zinc/89/73/73/615897373.db2.gz MDAAWSGJGRBGGN-AWEZNQCLSA-N 2 2 297.447 0.016 20 0 CCADLP C[NH+](C)CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000895469845 615901917 /nfs/dbraw/zinc/90/19/17/615901917.db2.gz LJKVLMIKWHJVCI-LBPRGKRZSA-N 2 2 265.361 0.468 20 0 CCADLP C[NH+](C)CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000895469845 615901919 /nfs/dbraw/zinc/90/19/19/615901919.db2.gz LJKVLMIKWHJVCI-LBPRGKRZSA-N 2 2 265.361 0.468 20 0 CCADLP C[NH+](C)CCONC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000837676237 615907241 /nfs/dbraw/zinc/90/72/41/615907241.db2.gz ILKDETXBJQQNGS-UHFFFAOYSA-N 2 2 269.389 0.860 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000908445030 615908015 /nfs/dbraw/zinc/90/80/15/615908015.db2.gz ZPJGTWIGBGUBDM-SZGZABIGSA-N 2 2 295.427 0.818 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000908445030 615908018 /nfs/dbraw/zinc/90/80/18/615908018.db2.gz ZPJGTWIGBGUBDM-SZGZABIGSA-N 2 2 295.427 0.818 20 0 CCADLP CC[C@H](C(=O)N1CCC[NH2+]CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000911656766 615917953 /nfs/dbraw/zinc/91/79/53/615917953.db2.gz SQVSUGJZFRFMBH-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@H](C(=O)N1CCC[NH2+]CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000911656766 615917954 /nfs/dbraw/zinc/91/79/54/615917954.db2.gz SQVSUGJZFRFMBH-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@@H](C(=O)NCC[NH2+]C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000911749223 615918284 /nfs/dbraw/zinc/91/82/84/615918284.db2.gz YVICNYLFGGTQJN-RYUDHWBXSA-N 2 2 257.378 0.211 20 0 CCADLP CC[C@@H](C(=O)NCC[NH2+]C)[N@H+]1CCO[C@@H](CC)C1 ZINC000911749223 615918286 /nfs/dbraw/zinc/91/82/86/615918286.db2.gz YVICNYLFGGTQJN-RYUDHWBXSA-N 2 2 257.378 0.211 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000877435145 615926734 /nfs/dbraw/zinc/92/67/34/615926734.db2.gz XVLANIYMCYBWIM-QWHCGFSZSA-N 2 2 269.389 0.341 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000877435145 615926737 /nfs/dbraw/zinc/92/67/37/615926737.db2.gz XVLANIYMCYBWIM-QWHCGFSZSA-N 2 2 269.389 0.341 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc2oc(=O)oc2c1 ZINC000883074857 615936037 /nfs/dbraw/zinc/93/60/37/615936037.db2.gz LIUDAEZVXIOJLU-AWEZNQCLSA-N 2 2 280.324 0.788 20 0 CCADLP CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903854114 615963038 /nfs/dbraw/zinc/96/30/38/615963038.db2.gz IBBZNIXGFMKKRZ-NEPJUHHUSA-N 2 2 275.418 0.081 20 0 CCADLP CN(C)S(=O)(=O)CCC[N@H+]1CC[C@H]2CC[C@]21C[NH3+] ZINC000903854114 615963040 /nfs/dbraw/zinc/96/30/40/615963040.db2.gz IBBZNIXGFMKKRZ-NEPJUHHUSA-N 2 2 275.418 0.081 20 0 CCADLP C[NH+](C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000834436550 615975839 /nfs/dbraw/zinc/97/58/39/615975839.db2.gz UPFOAVACHSYKOU-LLVKDONJSA-N 2 2 250.346 0.895 20 0 CCADLP CCn1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c(C)n1 ZINC000892670330 615997788 /nfs/dbraw/zinc/99/77/88/615997788.db2.gz RFVLVUHTWNCTBD-CQSZACIVSA-N 2 2 266.389 0.758 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCN(C4CCOCC4)C3=O)C[C@H]21 ZINC000931279626 615998822 /nfs/dbraw/zinc/99/88/22/615998822.db2.gz MKJHGQWUTLXJCB-BARDWOONSA-N 2 2 293.411 0.258 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(C4CCOCC4)C3=O)C[C@H]21 ZINC000931279626 615998824 /nfs/dbraw/zinc/99/88/24/615998824.db2.gz MKJHGQWUTLXJCB-BARDWOONSA-N 2 2 293.411 0.258 20 0 CCADLP CN(C)c1[nH+]cc(C[NH+]2CCC3(CC2)COCCO3)n1C ZINC000895697108 616035593 /nfs/dbraw/zinc/03/55/93/616035593.db2.gz LNCBRKSTAZECQG-UHFFFAOYSA-N 2 2 294.399 0.868 20 0 CCADLP C[N@H+](CC(=O)OCC[NH+]1CCC1)[C@@H]1CCSC1 ZINC000861389511 616050346 /nfs/dbraw/zinc/05/03/46/616050346.db2.gz OHSHJYJPTGRKRR-LLVKDONJSA-N 2 2 258.387 0.673 20 0 CCADLP C[N@@H+](CC(=O)OCC[NH+]1CCC1)[C@@H]1CCSC1 ZINC000861389511 616050347 /nfs/dbraw/zinc/05/03/47/616050347.db2.gz OHSHJYJPTGRKRR-LLVKDONJSA-N 2 2 258.387 0.673 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+](C[C@@H]2C[C@H]3COC[C@H]3O2)CC1 ZINC000929657805 616075724 /nfs/dbraw/zinc/07/57/24/616075724.db2.gz PDNNBVGOBANGFN-CWRNSKLLSA-N 2 2 298.427 0.569 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+](C[C@@H]2C[C@H]3COC[C@H]3O2)CC1 ZINC000929657805 616075725 /nfs/dbraw/zinc/07/57/25/616075725.db2.gz PDNNBVGOBANGFN-CWRNSKLLSA-N 2 2 298.427 0.569 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+](C[C@@](C)(O)C(F)F)CC1 ZINC000886013209 616075892 /nfs/dbraw/zinc/07/58/92/616075892.db2.gz YKFQXLQGZRDMCX-CYBMUJFWSA-N 2 2 280.359 0.781 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+](C[C@@](C)(O)C(F)F)CC1 ZINC000886013209 616075893 /nfs/dbraw/zinc/07/58/93/616075893.db2.gz YKFQXLQGZRDMCX-CYBMUJFWSA-N 2 2 280.359 0.781 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@H](O)c1cccc(F)c1)C1CC1 ZINC000843068222 616132108 /nfs/dbraw/zinc/13/21/08/616132108.db2.gz FVTFEUBFRAQBMJ-GJZGRUSLSA-N 2 2 282.359 0.904 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H](O)c1cccc(F)c1)C1CC1 ZINC000843068222 616132109 /nfs/dbraw/zinc/13/21/09/616132109.db2.gz FVTFEUBFRAQBMJ-GJZGRUSLSA-N 2 2 282.359 0.904 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]C[C@@H](O)c1cccc(F)c1)C1CC1 ZINC000843068223 616149520 /nfs/dbraw/zinc/14/95/20/616149520.db2.gz FVTFEUBFRAQBMJ-HUUCEWRRSA-N 2 2 282.359 0.904 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H](O)c1cccc(F)c1)C1CC1 ZINC000843068223 616149522 /nfs/dbraw/zinc/14/95/22/616149522.db2.gz FVTFEUBFRAQBMJ-HUUCEWRRSA-N 2 2 282.359 0.904 20 0 CCADLP C[N@H+](C[C@H]1CCOC1)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972424821 616161028 /nfs/dbraw/zinc/16/10/28/616161028.db2.gz CPINVKARXCJXQF-TZMCWYRMSA-N 2 2 292.383 0.521 20 0 CCADLP C[N@@H+](C[C@H]1CCOC1)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972424821 616161029 /nfs/dbraw/zinc/16/10/29/616161029.db2.gz CPINVKARXCJXQF-TZMCWYRMSA-N 2 2 292.383 0.521 20 0 CCADLP C[N@H+](C[C@H]1CCS(=O)(=O)C1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904340336 616161911 /nfs/dbraw/zinc/16/19/11/616161911.db2.gz HKQJYYYEOQOXNP-OLZOCXBDSA-N 2 2 274.430 0.743 20 0 CCADLP C[N@@H+](C[C@H]1CCS(=O)(=O)C1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904340336 616161912 /nfs/dbraw/zinc/16/19/12/616161912.db2.gz HKQJYYYEOQOXNP-OLZOCXBDSA-N 2 2 274.430 0.743 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H](O)C3CC3)C2)CC1 ZINC000827414520 616172487 /nfs/dbraw/zinc/17/24/87/616172487.db2.gz WQOPGNSINFHXRC-TZMCWYRMSA-N 2 2 281.400 0.042 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H](O)C3CC3)C2)CC1 ZINC000827414520 616172488 /nfs/dbraw/zinc/17/24/88/616172488.db2.gz WQOPGNSINFHXRC-TZMCWYRMSA-N 2 2 281.400 0.042 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCF)C1 ZINC000898502765 616194654 /nfs/dbraw/zinc/19/46/54/616194654.db2.gz DKSYKJWEPHTWDD-NWDGAFQWSA-N 2 2 257.353 0.631 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCF)C1 ZINC000898502765 616194655 /nfs/dbraw/zinc/19/46/55/616194655.db2.gz DKSYKJWEPHTWDD-NWDGAFQWSA-N 2 2 257.353 0.631 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898502765 616194656 /nfs/dbraw/zinc/19/46/56/616194656.db2.gz DKSYKJWEPHTWDD-NWDGAFQWSA-N 2 2 257.353 0.631 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898502765 616194657 /nfs/dbraw/zinc/19/46/57/616194657.db2.gz DKSYKJWEPHTWDD-NWDGAFQWSA-N 2 2 257.353 0.631 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933967178 616195374 /nfs/dbraw/zinc/19/53/74/616195374.db2.gz FLEMFNBVYJHEKE-HZSPNIEDSA-N 2 2 254.374 0.960 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933967178 616195375 /nfs/dbraw/zinc/19/53/75/616195375.db2.gz FLEMFNBVYJHEKE-HZSPNIEDSA-N 2 2 254.374 0.960 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933967178 616195376 /nfs/dbraw/zinc/19/53/76/616195376.db2.gz FLEMFNBVYJHEKE-HZSPNIEDSA-N 2 2 254.374 0.960 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933967178 616195377 /nfs/dbraw/zinc/19/53/77/616195377.db2.gz FLEMFNBVYJHEKE-HZSPNIEDSA-N 2 2 254.374 0.960 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000895291161 616200165 /nfs/dbraw/zinc/20/01/65/616200165.db2.gz IENVSEVSGVSRTO-ZIAGYGMSSA-N 2 2 291.399 0.841 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)c1 ZINC000895291161 616200166 /nfs/dbraw/zinc/20/01/66/616200166.db2.gz IENVSEVSGVSRTO-ZIAGYGMSSA-N 2 2 291.399 0.841 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@H](O)Cn1cccn1 ZINC000880133859 616200849 /nfs/dbraw/zinc/20/08/49/616200849.db2.gz QSZNGIPLYMWSBN-BFHYXJOUSA-N 2 2 264.373 0.413 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@H](O)Cn1cccn1 ZINC000880133859 616200850 /nfs/dbraw/zinc/20/08/50/616200850.db2.gz QSZNGIPLYMWSBN-BFHYXJOUSA-N 2 2 264.373 0.413 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](O)Cn1cccn1 ZINC000880133859 616200851 /nfs/dbraw/zinc/20/08/51/616200851.db2.gz QSZNGIPLYMWSBN-BFHYXJOUSA-N 2 2 264.373 0.413 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@H](O)Cn1cccn1 ZINC000880133859 616200852 /nfs/dbraw/zinc/20/08/52/616200852.db2.gz QSZNGIPLYMWSBN-BFHYXJOUSA-N 2 2 264.373 0.413 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)C[C@@H]1CO)CC(C)(C)C ZINC000912735759 616223101 /nfs/dbraw/zinc/22/31/01/616223101.db2.gz FWUSJYKBZLQBAN-GFCCVEGCSA-N 2 2 271.405 0.099 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)C[C@@H]1CO)CC(C)(C)C ZINC000912735759 616223102 /nfs/dbraw/zinc/22/31/02/616223102.db2.gz FWUSJYKBZLQBAN-GFCCVEGCSA-N 2 2 271.405 0.099 20 0 CCADLP C[NH+](CC(=O)N1CC[N@H+](C)C[C@@H]1CO)CC(C)(C)C ZINC000912735759 616223103 /nfs/dbraw/zinc/22/31/03/616223103.db2.gz FWUSJYKBZLQBAN-GFCCVEGCSA-N 2 2 271.405 0.099 20 0 CCADLP C[NH+](CC(=O)N1CC[N@@H+](C)C[C@@H]1CO)CC(C)(C)C ZINC000912735759 616223104 /nfs/dbraw/zinc/22/31/04/616223104.db2.gz FWUSJYKBZLQBAN-GFCCVEGCSA-N 2 2 271.405 0.099 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccnc(F)c2)CC1 ZINC000858118036 616223447 /nfs/dbraw/zinc/22/34/47/616223447.db2.gz LJKSMJNQDVRPFB-UHFFFAOYSA-N 2 2 266.320 0.084 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]C2CC3(C2)COC(C)(C)C3)CC1 ZINC000924840067 616223496 /nfs/dbraw/zinc/22/34/96/616223496.db2.gz QXCSGFFHQAISQT-UHFFFAOYSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000924839796 616223748 /nfs/dbraw/zinc/22/37/48/616223748.db2.gz PNNOAQDSXWXXFA-HOCLYGCPSA-N 2 2 295.427 0.555 20 0 CCADLP C[NH+]1CCN(C2CCN(C(=O)[C@H]3[NH2+]CC3(C)C)CC2)CC1 ZINC000870982010 616238973 /nfs/dbraw/zinc/23/89/73/616238973.db2.gz UYJSNMRBJNTFQU-CQSZACIVSA-N 2 2 294.443 0.223 20 0 CCADLP C[N@@H+]1CCN(CC[NH2+][C@H]2CC[NH2+]C23CCC3)CC1(C)C ZINC000925663666 616242009 /nfs/dbraw/zinc/24/20/09/616242009.db2.gz WAONIZXBTBBAAF-AWEZNQCLSA-N 3 2 280.460 0.887 20 0 CCADLP C[N@H+]1CCN(CC[NH2+][C@H]2CC[NH2+]C23CCC3)CC1(C)C ZINC000925663666 616242010 /nfs/dbraw/zinc/24/20/10/616242010.db2.gz WAONIZXBTBBAAF-AWEZNQCLSA-N 3 2 280.460 0.887 20 0 CCADLP C[NH+]1CCN(c2ccc(-c3noc(C[NH3+])n3)cn2)CC1 ZINC000822914901 616247022 /nfs/dbraw/zinc/24/70/22/616247022.db2.gz IYFWCPVDXVHLHY-UHFFFAOYSA-N 2 2 274.328 0.342 20 0 CCADLP C[N@@H+]1CC[C@@H]1CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000925408574 616289987 /nfs/dbraw/zinc/28/99/87/616289987.db2.gz QGRJRTWAWLLNJS-CYBMUJFWSA-N 2 2 277.372 0.934 20 0 CCADLP C[N@H+]1CC[C@@H]1CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000925408574 616289988 /nfs/dbraw/zinc/28/99/88/616289988.db2.gz QGRJRTWAWLLNJS-CYBMUJFWSA-N 2 2 277.372 0.934 20 0 CCADLP COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC000933170410 616307430 /nfs/dbraw/zinc/30/74/30/616307430.db2.gz POGQPTKWGHNMEX-MCIONIFRSA-N 2 2 286.416 0.961 20 0 CCADLP COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC000933170410 616307434 /nfs/dbraw/zinc/30/74/34/616307434.db2.gz POGQPTKWGHNMEX-MCIONIFRSA-N 2 2 286.416 0.961 20 0 CCADLP COC(=O)[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC000933170410 616307438 /nfs/dbraw/zinc/30/74/38/616307438.db2.gz POGQPTKWGHNMEX-MCIONIFRSA-N 2 2 286.416 0.961 20 0 CCADLP COC(=O)[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC000933170410 616307440 /nfs/dbraw/zinc/30/74/40/616307440.db2.gz POGQPTKWGHNMEX-MCIONIFRSA-N 2 2 286.416 0.961 20 0 CCADLP COC(C[NH+]1CCC([N@H+]2CCCOCC2)CC1)OC ZINC000931287604 616317363 /nfs/dbraw/zinc/31/73/63/616317363.db2.gz SNHDWAKFOAEPGP-UHFFFAOYSA-N 2 2 272.389 0.792 20 0 CCADLP COC(C[NH+]1CCC([N@@H+]2CCCOCC2)CC1)OC ZINC000931287604 616317357 /nfs/dbraw/zinc/31/73/57/616317357.db2.gz SNHDWAKFOAEPGP-UHFFFAOYSA-N 2 2 272.389 0.792 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC000886615774 616323330 /nfs/dbraw/zinc/32/33/30/616323330.db2.gz NNCVXFFMXVSPML-MGPQQGTHSA-N 2 2 284.400 0.765 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)C1 ZINC000886615774 616323331 /nfs/dbraw/zinc/32/33/31/616323331.db2.gz NNCVXFFMXVSPML-MGPQQGTHSA-N 2 2 284.400 0.765 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC000854525701 616324891 /nfs/dbraw/zinc/32/48/91/616324891.db2.gz HBPMVSRJXUKROS-XJFOESAGSA-N 2 2 288.395 0.934 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC000854525701 616324898 /nfs/dbraw/zinc/32/48/98/616324898.db2.gz HBPMVSRJXUKROS-XJFOESAGSA-N 2 2 288.395 0.934 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC[C@@H]21 ZINC000827287612 616326799 /nfs/dbraw/zinc/32/67/99/616326799.db2.gz LHQZVMSAYXDFMH-GUTXKFCHSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC[C@@H]21 ZINC000827287612 616326803 /nfs/dbraw/zinc/32/68/03/616326803.db2.gz LHQZVMSAYXDFMH-GUTXKFCHSA-N 2 2 288.395 0.998 20 0 CCADLP COCC[N@@H+]1CCCN(C(=O)CNc2cccc[nH+]2)CC1 ZINC000900375353 616336961 /nfs/dbraw/zinc/33/69/61/616336961.db2.gz XOEJFSXYNQQYJP-UHFFFAOYSA-N 2 2 292.383 0.674 20 0 CCADLP COCC[N@H+]1CCCN(C(=O)CNc2cccc[nH+]2)CC1 ZINC000900375353 616336965 /nfs/dbraw/zinc/33/69/65/616336965.db2.gz XOEJFSXYNQQYJP-UHFFFAOYSA-N 2 2 292.383 0.674 20 0 CCADLP Cn1ncc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1C1CC1 ZINC000893605774 616350723 /nfs/dbraw/zinc/35/07/23/616350723.db2.gz JTOYQRUXLMLJTA-CQSZACIVSA-N 2 2 264.373 0.454 20 0 CCADLP Cn1ncc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1C1CC1 ZINC000893605774 616350726 /nfs/dbraw/zinc/35/07/26/616350726.db2.gz JTOYQRUXLMLJTA-CQSZACIVSA-N 2 2 264.373 0.454 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc[nH]c(=O)c1 ZINC000921667272 616354584 /nfs/dbraw/zinc/35/45/84/616354584.db2.gz NXDYJDFVAAYSBP-ZDUSSCGKSA-N 2 2 265.357 0.988 20 0 CCADLP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1cc[nH]c(=O)c1 ZINC000921667272 616354589 /nfs/dbraw/zinc/35/45/89/616354589.db2.gz NXDYJDFVAAYSBP-ZDUSSCGKSA-N 2 2 265.357 0.988 20 0 CCADLP C[N@@H+]1C[C@@H]2CCN(C(=O)NCCn3cc[nH+]c3)[C@@H]2C1 ZINC000891554851 616356269 /nfs/dbraw/zinc/35/62/69/616356269.db2.gz BTQLDXZPYVUOOP-NWDGAFQWSA-N 2 2 263.345 0.229 20 0 CCADLP C[N@H+]1C[C@@H]2CCN(C(=O)NCCn3cc[nH+]c3)[C@@H]2C1 ZINC000891554851 616356272 /nfs/dbraw/zinc/35/62/72/616356272.db2.gz BTQLDXZPYVUOOP-NWDGAFQWSA-N 2 2 263.345 0.229 20 0 CCADLP COC/C(C)=C/C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000845492015 616370122 /nfs/dbraw/zinc/37/01/22/616370122.db2.gz AFBSDFFTYYMMRX-UELRPHRMSA-N 2 2 295.427 0.864 20 0 CCADLP COC/C(C)=C/C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000845492015 616370126 /nfs/dbraw/zinc/37/01/26/616370126.db2.gz AFBSDFFTYYMMRX-UELRPHRMSA-N 2 2 295.427 0.864 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000944102155 616392968 /nfs/dbraw/zinc/39/29/68/616392968.db2.gz YCMUJMSBQQIJNQ-GXTWGEPZSA-N 2 2 294.399 0.436 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000944102155 616392971 /nfs/dbraw/zinc/39/29/71/616392971.db2.gz YCMUJMSBQQIJNQ-GXTWGEPZSA-N 2 2 294.399 0.436 20 0 CCADLP C[NH+]1CCC[C@@H]1c1cc(C(=O)NC[C@H]2CC[N@@H+](C)C2)[nH]n1 ZINC000895819665 616398278 /nfs/dbraw/zinc/39/82/78/616398278.db2.gz YTTOGQNTCGLUQS-BXUZGUMPSA-N 2 2 291.399 0.858 20 0 CCADLP C[NH+]1CCC[C@@H]1c1cc(C(=O)NC[C@H]2CC[N@H+](C)C2)[nH]n1 ZINC000895819665 616398280 /nfs/dbraw/zinc/39/82/80/616398280.db2.gz YTTOGQNTCGLUQS-BXUZGUMPSA-N 2 2 291.399 0.858 20 0 CCADLP C[NH+]1CC[C@H](CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC000895819665 616398286 /nfs/dbraw/zinc/39/82/86/616398286.db2.gz YTTOGQNTCGLUQS-BXUZGUMPSA-N 2 2 291.399 0.858 20 0 CCADLP C[NH+]1CC[C@H](CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC000895819665 616398291 /nfs/dbraw/zinc/39/82/91/616398291.db2.gz YTTOGQNTCGLUQS-BXUZGUMPSA-N 2 2 291.399 0.858 20 0 CCADLP COCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000968595840 616409597 /nfs/dbraw/zinc/40/95/97/616409597.db2.gz FHSASUZWVMTHJX-SMDDNHRTSA-N 2 2 294.399 0.734 20 0 CCADLP COCC[N@H+]1CC[C@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000968595840 616409601 /nfs/dbraw/zinc/40/96/01/616409601.db2.gz FHSASUZWVMTHJX-SMDDNHRTSA-N 2 2 294.399 0.734 20 0 CCADLP C[N@@H+]1CC[C@H]2C[NH+](CCN3CCOC3=O)CC[C@H]21 ZINC000879572511 616444436 /nfs/dbraw/zinc/44/44/36/616444436.db2.gz YKETXSMCOZBUMC-NWDGAFQWSA-N 2 2 253.346 0.465 20 0 CCADLP C[N@H+]1CC[C@H]2C[NH+](CCN3CCOC3=O)CC[C@H]21 ZINC000879572511 616444440 /nfs/dbraw/zinc/44/44/40/616444440.db2.gz YKETXSMCOZBUMC-NWDGAFQWSA-N 2 2 253.346 0.465 20 0 CCADLP C[NH+]1CC[C@H]2C[N@H+](CCN3CCOC3=O)CC[C@H]21 ZINC000879572511 616444442 /nfs/dbraw/zinc/44/44/42/616444442.db2.gz YKETXSMCOZBUMC-NWDGAFQWSA-N 2 2 253.346 0.465 20 0 CCADLP C[NH+]1CC[C@H]2C[N@@H+](CCN3CCOC3=O)CC[C@H]21 ZINC000879572511 616444444 /nfs/dbraw/zinc/44/44/44/616444444.db2.gz YKETXSMCOZBUMC-NWDGAFQWSA-N 2 2 253.346 0.465 20 0 CCADLP COCC[N@H+]1[C@H](C)CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC000844024151 616475805 /nfs/dbraw/zinc/47/58/05/616475805.db2.gz IIFJIUAGZIOHHW-TXEJJXNPSA-N 2 2 294.399 0.828 20 0 CCADLP COCC[N@@H+]1[C@H](C)CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC000844024151 616475808 /nfs/dbraw/zinc/47/58/08/616475808.db2.gz IIFJIUAGZIOHHW-TXEJJXNPSA-N 2 2 294.399 0.828 20 0 CCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N(CC[NH3+])CCO ZINC000892616046 616516352 /nfs/dbraw/zinc/51/63/52/616516352.db2.gz SQVDABGFMHFJNC-AWEZNQCLSA-N 2 2 292.383 0.136 20 0 CCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N(CC[NH3+])CCO ZINC000892616046 616516354 /nfs/dbraw/zinc/51/63/54/616516354.db2.gz SQVDABGFMHFJNC-AWEZNQCLSA-N 2 2 292.383 0.136 20 0 CCADLP COCCOCCN1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903461641 616543072 /nfs/dbraw/zinc/54/30/72/616543072.db2.gz XCDGIMCWFWFAQE-CABCVRRESA-N 2 2 285.432 0.123 20 0 CCADLP COCCOCCOCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903769458 616553419 /nfs/dbraw/zinc/55/34/19/616553419.db2.gz GNLJMDXSDGNZDE-CYBMUJFWSA-N 2 2 272.389 0.540 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CC2CC2)[C@H](C)C1 ZINC000884326974 616554960 /nfs/dbraw/zinc/55/49/60/616554960.db2.gz GAGCFEFSGCBDEB-YPMHNXCESA-N 2 2 297.399 0.210 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]([NH3+])CC2CC2)[C@H](C)C1 ZINC000884326974 616554961 /nfs/dbraw/zinc/55/49/61/616554961.db2.gz GAGCFEFSGCBDEB-YPMHNXCESA-N 2 2 297.399 0.210 20 0 CCADLP COCCOC[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923531676 616567218 /nfs/dbraw/zinc/56/72/18/616567218.db2.gz VIOLCXJWKZDXPF-ZIAGYGMSSA-N 2 2 272.389 0.228 20 0 CCADLP COCCOC[C@H](O)C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923531676 616567221 /nfs/dbraw/zinc/56/72/21/616567221.db2.gz VIOLCXJWKZDXPF-ZIAGYGMSSA-N 2 2 272.389 0.228 20 0 CCADLP CNC(=O)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569165 616655718 /nfs/dbraw/zinc/65/57/18/616655718.db2.gz JEASJGMNYLSVMV-CYBMUJFWSA-N 2 2 258.325 0.960 20 0 CCADLP CNC(=O)NC(=O)CC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931309470 616695274 /nfs/dbraw/zinc/69/52/74/616695274.db2.gz XPMZNOPGYFNKRV-ZIAGYGMSSA-N 2 2 282.388 0.106 20 0 CCADLP COC(=O)C[C@H]1C(=O)NCC[N@H+]1CCCCCCC[NH3+] ZINC000842476142 616704335 /nfs/dbraw/zinc/70/43/35/616704335.db2.gz HSFPYCNQORAARB-LBPRGKRZSA-N 2 2 285.388 0.259 20 0 CCADLP COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CCCCCCC[NH3+] ZINC000842476142 616704338 /nfs/dbraw/zinc/70/43/38/616704338.db2.gz HSFPYCNQORAARB-LBPRGKRZSA-N 2 2 285.388 0.259 20 0 CCADLP COC[C@@H](C)OC[C@@H](O)C[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000923393481 616836156 /nfs/dbraw/zinc/83/61/56/616836156.db2.gz RBVZVQJALOHPDM-JLVJUDLZSA-N 2 2 286.416 0.602 20 0 CCADLP C[NH2+]CC(=O)NC[C@@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000867997546 616937049 /nfs/dbraw/zinc/93/70/49/616937049.db2.gz GSVDAWARHNEFOK-OAHLLOKOSA-N 2 2 291.395 0.531 20 0 CCADLP C[NH2+]CC(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000867997546 616937053 /nfs/dbraw/zinc/93/70/53/616937053.db2.gz GSVDAWARHNEFOK-OAHLLOKOSA-N 2 2 291.395 0.531 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717323 616983993 /nfs/dbraw/zinc/98/39/93/616983993.db2.gz NFQKDLARXNYXKJ-UONOGXRCSA-N 3 2 267.417 0.829 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717323 616983996 /nfs/dbraw/zinc/98/39/96/616983996.db2.gz NFQKDLARXNYXKJ-UONOGXRCSA-N 3 2 267.417 0.829 20 0 CCADLP CON(C)C(=O)CC[NH2+]CCCNc1cccc[nH+]1 ZINC000819081441 617013543 /nfs/dbraw/zinc/01/35/43/617013543.db2.gz QYWFVOBNLIKFAE-UHFFFAOYSA-N 2 2 266.345 0.883 20 0 CCADLP CNc1cc(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)nc[nH+]1 ZINC000892560875 617058373 /nfs/dbraw/zinc/05/83/73/617058373.db2.gz JFMAYNRQVPQIEK-CYBMUJFWSA-N 2 2 290.415 0.735 20 0 CCADLP CNc1cc(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)nc[nH+]1 ZINC000892560875 617058375 /nfs/dbraw/zinc/05/83/75/617058375.db2.gz JFMAYNRQVPQIEK-CYBMUJFWSA-N 2 2 290.415 0.735 20 0 CCADLP COC[C@H](C)[NH+]1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000957514765 617064360 /nfs/dbraw/zinc/06/43/60/617064360.db2.gz SVNNODUITHHIGQ-ZDUSSCGKSA-N 2 2 294.399 0.532 20 0 CCADLP CON(C)C(=O)[C@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000877659689 617068361 /nfs/dbraw/zinc/06/83/61/617068361.db2.gz ZOENJSLNNUWISF-NSHDSACASA-N 2 2 287.404 0.220 20 0 CCADLP CO[C@@H](C)C[NH+]1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000948776151 617153637 /nfs/dbraw/zinc/15/36/37/617153637.db2.gz ARUXRDUDQCBXBS-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP CO[C@@H](C)C[NH+]1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000948776151 617153638 /nfs/dbraw/zinc/15/36/38/617153638.db2.gz ARUXRDUDQCBXBS-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000925662230 625482736 /nfs/dbraw/zinc/48/27/36/625482736.db2.gz HDPAUAXPVZLPBL-UONOGXRCSA-N 3 2 268.449 0.743 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000925662230 625482742 /nfs/dbraw/zinc/48/27/42/625482742.db2.gz HDPAUAXPVZLPBL-UONOGXRCSA-N 3 2 268.449 0.743 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000892152134 622614917 /nfs/dbraw/zinc/61/49/17/622614917.db2.gz QTKHZUITAXXOCL-QMMMGPOBSA-N 2 2 261.276 0.202 20 0 CCADLP OCC[N@@H+]1CCC[C@H]2[C@@H]1CCN2CCC[NH+]1CCOCC1 ZINC000934257590 622623530 /nfs/dbraw/zinc/62/35/30/622623530.db2.gz AOFJIFBRTOJQDX-HOTGVXAUSA-N 2 2 297.443 0.240 20 0 CCADLP OCC[N@H+]1CCC[C@H]2[C@@H]1CCN2CCC[NH+]1CCOCC1 ZINC000934257590 622623538 /nfs/dbraw/zinc/62/35/38/622623538.db2.gz AOFJIFBRTOJQDX-HOTGVXAUSA-N 2 2 297.443 0.240 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001022775017 622742325 /nfs/dbraw/zinc/74/23/25/622742325.db2.gz GTXHRAVNFCEQON-UTUOFQBUSA-N 2 2 278.356 0.226 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(c2nccn3c[nH+]cc23)CC1 ZINC000892312810 622829953 /nfs/dbraw/zinc/82/99/53/622829953.db2.gz IDAMCAQEKWBHNG-LLVKDONJSA-N 2 2 261.329 0.232 20 0 CCADLP C[C@H]1CC[C@H](C[NH2+][C@H]2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)O1 ZINC001022888943 622834626 /nfs/dbraw/zinc/83/46/26/622834626.db2.gz UNLDLJKWDCRQDS-WUHRBBMRSA-N 2 2 292.383 0.757 20 0 CCADLP C[C@@H](CC(=O)N1CC[C@@H]([N@H+](C)CCO)C1)n1cc[nH+]c1 ZINC000972451054 622847182 /nfs/dbraw/zinc/84/71/82/622847182.db2.gz VNDBNADRVBMMJC-QWHCGFSZSA-N 2 2 280.372 0.359 20 0 CCADLP C[C@@H](CC(=O)N1CC[C@@H]([N@@H+](C)CCO)C1)n1cc[nH+]c1 ZINC000972451054 622847184 /nfs/dbraw/zinc/84/71/84/622847184.db2.gz VNDBNADRVBMMJC-QWHCGFSZSA-N 2 2 280.372 0.359 20 0 CCADLP CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001024912822 623485883 /nfs/dbraw/zinc/48/58/83/623485883.db2.gz POMYDLUXYORBCS-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001024912822 623485889 /nfs/dbraw/zinc/48/58/89/623485889.db2.gz POMYDLUXYORBCS-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP [NH3+]CC[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000310958268 623604571 /nfs/dbraw/zinc/60/45/71/623604571.db2.gz AILKKKMSDWEQNA-KGLIPLIRSA-N 3 2 255.406 0.646 20 0 CCADLP [NH3+]CC[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000310958268 623604574 /nfs/dbraw/zinc/60/45/74/623604574.db2.gz AILKKKMSDWEQNA-KGLIPLIRSA-N 3 2 255.406 0.646 20 0 CCADLP CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001026929367 625663308 /nfs/dbraw/zinc/66/33/08/625663308.db2.gz QWUHRTGBGWJDOL-OLZOCXBDSA-N 2 2 276.384 0.904 20 0 CCADLP CC(C)[C@H](CNC1=[NH+]C[C@H](C)N1)[NH+]1CCN(C)CC1 ZINC000311488894 623746278 /nfs/dbraw/zinc/74/62/78/623746278.db2.gz MRCJTBAKXKFRGN-STQMWFEESA-N 2 2 267.421 0.196 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC)C1 ZINC001020432130 624476203 /nfs/dbraw/zinc/47/62/03/624476203.db2.gz BZIIFXRGNFQLII-IHRRRGAJSA-N 2 2 283.416 0.744 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC)C1 ZINC001020432130 624476205 /nfs/dbraw/zinc/47/62/05/624476205.db2.gz BZIIFXRGNFQLII-IHRRRGAJSA-N 2 2 283.416 0.744 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]CCC2CC2)C1 ZINC001021125994 624662809 /nfs/dbraw/zinc/66/28/09/624662809.db2.gz DBKXDCUNMWYSBT-JOCQHMNTSA-N 2 2 262.357 0.920 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]Cc2nccs2)C1 ZINC001021126694 624663014 /nfs/dbraw/zinc/66/30/14/624663014.db2.gz UZAXMDGXQPCLHW-XYPYZODXSA-N 2 2 291.380 0.777 20 0 CCADLP C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000970484665 624692065 /nfs/dbraw/zinc/69/20/65/624692065.db2.gz LSXFASHZJXCPRP-WDEREUQCSA-N 2 2 280.372 0.259 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000891350884 624822349 /nfs/dbraw/zinc/82/23/49/624822349.db2.gz WTACPJXUZKXCPW-KGLIPLIRSA-N 2 2 298.431 0.620 20 0 CCADLP [NH3+][C@H]1C[C@H](CNC(=O)NCCCNc2cccc[nH+]2)C1 ZINC000891363107 624832900 /nfs/dbraw/zinc/83/29/00/624832900.db2.gz DQPQXBGMZQGLQX-HAQNSBGRSA-N 2 2 277.372 0.920 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(F)F ZINC000234325706 624870142 /nfs/dbraw/zinc/87/01/42/624870142.db2.gz JNLBUGBRKOZWAW-UHFFFAOYSA-N 2 2 263.332 0.736 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(F)F ZINC000234325706 624870143 /nfs/dbraw/zinc/87/01/43/624870143.db2.gz JNLBUGBRKOZWAW-UHFFFAOYSA-N 2 2 263.332 0.736 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCN3CCCC[C@H]23)C1 ZINC000926175345 624879586 /nfs/dbraw/zinc/87/95/86/624879586.db2.gz XJMBYFLJXYFDEY-ZNMIVQPWSA-N 2 2 267.417 0.660 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCN3CCCC[C@H]23)C1 ZINC000926175345 624879587 /nfs/dbraw/zinc/87/95/87/624879587.db2.gz XJMBYFLJXYFDEY-ZNMIVQPWSA-N 2 2 267.417 0.660 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001022231448 624896571 /nfs/dbraw/zinc/89/65/71/624896571.db2.gz WRTIZNIYUZZUPJ-RMPHRYRLSA-N 2 2 278.356 0.131 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001022231448 624896572 /nfs/dbraw/zinc/89/65/72/624896572.db2.gz WRTIZNIYUZZUPJ-RMPHRYRLSA-N 2 2 278.356 0.131 20 0 CCADLP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001022311440 624921283 /nfs/dbraw/zinc/92/12/83/624921283.db2.gz QNAACJXLXZXFSV-UTUOFQBUSA-N 2 2 262.357 0.702 20 0 CCADLP O=C(N[C@H]1C[C@@H]([NH2+]CCO)C1)c1cccc2[nH+]ccn21 ZINC001022423871 624976180 /nfs/dbraw/zinc/97/61/80/624976180.db2.gz KFMBIARMXAKYNC-PHIMTYICSA-N 2 2 274.324 0.177 20 0 CCADLP C[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001027448644 625887385 /nfs/dbraw/zinc/88/73/85/625887385.db2.gz KZLWHJMXCGJUIK-JHJVBQTASA-N 2 2 292.383 0.428 20 0 CCADLP C[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001027448644 625887390 /nfs/dbraw/zinc/88/73/90/625887390.db2.gz KZLWHJMXCGJUIK-JHJVBQTASA-N 2 2 292.383 0.428 20 0 CCADLP C[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001027448644 625887391 /nfs/dbraw/zinc/88/73/91/625887391.db2.gz KZLWHJMXCGJUIK-JHJVBQTASA-N 2 2 292.383 0.428 20 0 CCADLP C[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001027448644 625887394 /nfs/dbraw/zinc/88/73/94/625887394.db2.gz KZLWHJMXCGJUIK-JHJVBQTASA-N 2 2 292.383 0.428 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000977450566 625940719 /nfs/dbraw/zinc/94/07/19/625940719.db2.gz FTIZFKWCIHTPQZ-YPMHNXCESA-N 2 2 294.399 0.170 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000977450566 625940725 /nfs/dbraw/zinc/94/07/25/625940725.db2.gz FTIZFKWCIHTPQZ-YPMHNXCESA-N 2 2 294.399 0.170 20 0 CCADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CCO[C@]13CCOC3)C2 ZINC000903173249 634539039 /nfs/dbraw/zinc/53/90/39/634539039.db2.gz XSWUIXSCCHWLCT-HONMWMINSA-N 2 2 263.341 0.805 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN(c2cnccn2)CC1 ZINC000903441775 634566775 /nfs/dbraw/zinc/56/67/75/634566775.db2.gz ASEJUOXJRBJRKP-OLZOCXBDSA-N 2 2 261.373 0.454 20 0 CCADLP [NH3+]C[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903713601 634633845 /nfs/dbraw/zinc/63/38/45/634633845.db2.gz XHLANWVGGAKXCS-IHRRRGAJSA-N 3 2 253.390 0.568 20 0 CCADLP [NH3+]C[C@@H]1CCCC[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903713601 634633849 /nfs/dbraw/zinc/63/38/49/634633849.db2.gz XHLANWVGGAKXCS-IHRRRGAJSA-N 3 2 253.390 0.568 20 0 CCADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2[nH]nc3c2COCC3)C1 ZINC000903746669 634634615 /nfs/dbraw/zinc/63/46/15/634634615.db2.gz KJQBOTAASGQTSX-ZDUSSCGKSA-N 2 2 250.346 0.653 20 0 CCADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2[nH]nc3c2COCC3)C1 ZINC000903746669 634634617 /nfs/dbraw/zinc/63/46/17/634634617.db2.gz KJQBOTAASGQTSX-ZDUSSCGKSA-N 2 2 250.346 0.653 20 0 CCADLP Cc1cn(C)nc1C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000903759562 634639690 /nfs/dbraw/zinc/63/96/90/634639690.db2.gz AJSASWNBUYXDQZ-ZDUSSCGKSA-N 2 2 289.387 0.616 20 0 CCADLP Cc1cn(C)nc1C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000903759562 634639696 /nfs/dbraw/zinc/63/96/96/634639696.db2.gz AJSASWNBUYXDQZ-ZDUSSCGKSA-N 2 2 289.387 0.616 20 0 CCADLP [NH3+]CC12CC(C1)C[N@@H+]2C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903766848 634643513 /nfs/dbraw/zinc/64/35/13/634643513.db2.gz SKJLMMPQHUOHSZ-YIFLHPOLSA-N 3 2 251.374 0.178 20 0 CCADLP [NH3+]CC12CC(C1)C[N@H+]2C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903766848 634643518 /nfs/dbraw/zinc/64/35/18/634643518.db2.gz SKJLMMPQHUOHSZ-YIFLHPOLSA-N 3 2 251.374 0.178 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903805669 634657659 /nfs/dbraw/zinc/65/76/59/634657659.db2.gz RGTHRYVCRSGIAA-CAOSSQGBSA-N 3 2 279.428 0.958 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903805669 634657667 /nfs/dbraw/zinc/65/76/67/634657667.db2.gz RGTHRYVCRSGIAA-CAOSSQGBSA-N 3 2 279.428 0.958 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cnn1C ZINC000903873481 634672948 /nfs/dbraw/zinc/67/29/48/634672948.db2.gz IMGMYTZBBYBGSC-YUELXQCFSA-N 3 2 293.459 0.905 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cnn1C ZINC000903873481 634672952 /nfs/dbraw/zinc/67/29/52/634672952.db2.gz IMGMYTZBBYBGSC-YUELXQCFSA-N 3 2 293.459 0.905 20 0 CCADLP [NH3+][C@H](CC(F)F)C[NH+]1CCC(Cn2cncn2)CC1 ZINC000903913609 634683990 /nfs/dbraw/zinc/68/39/90/634683990.db2.gz PWFFZTSKYJFMSL-LLVKDONJSA-N 2 2 273.331 0.973 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@H]([NH3+])C1 ZINC000905004785 634775712 /nfs/dbraw/zinc/77/57/12/634775712.db2.gz RTVMBPQJUZJBNA-MNOVXSKESA-N 2 2 251.334 0.404 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)CCC1(O)CCC1 ZINC000905045324 634784116 /nfs/dbraw/zinc/78/41/16/634784116.db2.gz IBCPXTPBJQBXMU-CHWSQXEVSA-N 2 2 267.373 0.917 20 0 CCADLP O[C@@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1(O)CCC1 ZINC000905263313 634830470 /nfs/dbraw/zinc/83/04/70/634830470.db2.gz MPOSVBSEICEFTR-CABZTGNLSA-N 2 2 251.330 0.133 20 0 CCADLP C[C@H](O)C[N@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001027652942 630835832 /nfs/dbraw/zinc/83/58/32/630835832.db2.gz WJOSQQVFDJHGKN-STQMWFEESA-N 2 2 294.399 0.266 20 0 CCADLP C[C@H](O)C[N@@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001027652942 630835834 /nfs/dbraw/zinc/83/58/34/630835834.db2.gz WJOSQQVFDJHGKN-STQMWFEESA-N 2 2 294.399 0.266 20 0 CCADLP CN(C(=O)N[C@@H]1CCC[NH+](C)C1)[C@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000652418123 649989749 /nfs/dbraw/zinc/98/97/49/649989749.db2.gz SLSJTDIMKYCCBZ-RDBSUJKOSA-N 2 2 296.415 0.195 20 0 CCADLP CN(C(=O)N[C@@H]1CCC[NH+](C)C1)[C@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000652418123 649989752 /nfs/dbraw/zinc/98/97/52/649989752.db2.gz SLSJTDIMKYCCBZ-RDBSUJKOSA-N 2 2 296.415 0.195 20 0 CCADLP CN(C(=O)N[C@@H]1CCC[N@@H+](C)C1)[C@H]1CC[NH+]2CCO[C@H]1C2 ZINC000652418123 649989756 /nfs/dbraw/zinc/98/97/56/649989756.db2.gz SLSJTDIMKYCCBZ-RDBSUJKOSA-N 2 2 296.415 0.195 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([N@H+](C)CCF)C1 ZINC000980262399 631006333 /nfs/dbraw/zinc/00/63/33/631006333.db2.gz FIILKTUUMOZNBW-LLVKDONJSA-N 2 2 268.336 0.763 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([N@@H+](C)CCF)C1 ZINC000980262399 631006336 /nfs/dbraw/zinc/00/63/36/631006336.db2.gz FIILKTUUMOZNBW-LLVKDONJSA-N 2 2 268.336 0.763 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cn3ccnc3s2)C1 ZINC000893606053 631024848 /nfs/dbraw/zinc/02/48/48/631024848.db2.gz LWXFWDCJMQUEOP-LBPRGKRZSA-N 2 2 266.370 0.552 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cn3ccnc3s2)C1 ZINC000893606053 631024852 /nfs/dbraw/zinc/02/48/52/631024852.db2.gz LWXFWDCJMQUEOP-LBPRGKRZSA-N 2 2 266.370 0.552 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCC[C@@H]([NH2+]CCF)C1 ZINC000981353854 631271278 /nfs/dbraw/zinc/27/12/78/631271278.db2.gz LZOYLGULTICNRN-MNOVXSKESA-N 2 2 268.336 0.939 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@H]([NH2+]CCF)C1 ZINC000981353857 631271569 /nfs/dbraw/zinc/27/15/69/631271569.db2.gz LZOYLGULTICNRN-WDEREUQCSA-N 2 2 268.336 0.939 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCF)CC[C@H]1C ZINC000967401396 649997874 /nfs/dbraw/zinc/99/78/74/649997874.db2.gz AIOFRPLDHAGLFU-DGCLKSJQSA-N 2 2 282.363 0.988 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCF)CC[C@H]1C ZINC000967401396 649997875 /nfs/dbraw/zinc/99/78/75/649997875.db2.gz AIOFRPLDHAGLFU-DGCLKSJQSA-N 2 2 282.363 0.988 20 0 CCADLP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000094749821 631377474 /nfs/dbraw/zinc/37/74/74/631377474.db2.gz XLIVWMNBPFEDSU-QWHCGFSZSA-N 2 2 269.389 0.031 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000982172030 631382786 /nfs/dbraw/zinc/38/27/86/631382786.db2.gz VKGFAMSKSIPDSI-CYBMUJFWSA-N 2 2 292.383 0.188 20 0 CCADLP C[C@@H](O)C[N@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000982172030 631382790 /nfs/dbraw/zinc/38/27/90/631382790.db2.gz VKGFAMSKSIPDSI-CYBMUJFWSA-N 2 2 292.383 0.188 20 0 CCADLP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261589291 631385906 /nfs/dbraw/zinc/38/59/06/631385906.db2.gz WGHSHRHQWOEYRM-FZMZJTMJSA-N 2 2 253.390 0.975 20 0 CCADLP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261589291 631385908 /nfs/dbraw/zinc/38/59/08/631385908.db2.gz WGHSHRHQWOEYRM-FZMZJTMJSA-N 2 2 253.390 0.975 20 0 CCADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905368415 634855892 /nfs/dbraw/zinc/85/58/92/634855892.db2.gz QNIHBGXNRAUEJY-KBPBESRZSA-N 2 2 286.416 0.089 20 0 CCADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905368415 634855894 /nfs/dbraw/zinc/85/58/94/634855894.db2.gz QNIHBGXNRAUEJY-KBPBESRZSA-N 2 2 286.416 0.089 20 0 CCADLP C[C@@H]([NH2+]C[C@@H](O)c1ccnn1C)[C@@H]1CCCC[NH2+]1 ZINC000925891751 631437131 /nfs/dbraw/zinc/43/71/31/631437131.db2.gz XHLLPKDJQDTSLC-NTZNESFSSA-N 2 2 252.362 0.574 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@@H]([NH2+]CC2CC2)C1 ZINC000968876770 650032776 /nfs/dbraw/zinc/03/27/76/650032776.db2.gz CPCYCKYRVQNHCW-CYBMUJFWSA-N 2 2 262.357 0.943 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]CC2CC2)C1 ZINC000968876770 650032780 /nfs/dbraw/zinc/03/27/80/650032780.db2.gz CPCYCKYRVQNHCW-CYBMUJFWSA-N 2 2 262.357 0.943 20 0 CCADLP O=C(N[C@H]1CCC[N@@H+](CCO)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001007703447 650088316 /nfs/dbraw/zinc/08/83/16/650088316.db2.gz GVAACDRVPGIMRZ-STQMWFEESA-N 2 2 292.383 0.018 20 0 CCADLP O=C(N[C@H]1CCC[N@H+](CCO)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001007703447 650088318 /nfs/dbraw/zinc/08/83/18/650088318.db2.gz GVAACDRVPGIMRZ-STQMWFEESA-N 2 2 292.383 0.018 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262931804 632773400 /nfs/dbraw/zinc/77/34/00/632773400.db2.gz HWZMUSQLAXFYJX-MXWKQRLJSA-N 2 2 273.327 0.727 20 0 CCADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262931804 632773409 /nfs/dbraw/zinc/77/34/09/632773409.db2.gz HWZMUSQLAXFYJX-MXWKQRLJSA-N 2 2 273.327 0.727 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@H]1C ZINC000987433062 632868257 /nfs/dbraw/zinc/86/82/57/632868257.db2.gz KOURPKNMMXMOGE-AAEUAGOBSA-N 2 2 264.373 0.952 20 0 CCADLP C[C@H]1CC[N@H+](CCNC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000897469643 633008871 /nfs/dbraw/zinc/00/88/71/633008871.db2.gz NWYIYXYATCREGI-RYUDHWBXSA-N 2 2 277.372 0.449 20 0 CCADLP C[C@H]1CC[N@@H+](CCNC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000897469643 633008876 /nfs/dbraw/zinc/00/88/76/633008876.db2.gz NWYIYXYATCREGI-RYUDHWBXSA-N 2 2 277.372 0.449 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCF)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000989610332 633334971 /nfs/dbraw/zinc/33/49/71/633334971.db2.gz AENQPGZMKQMHHL-UWVGGRQHSA-N 2 2 254.309 0.501 20 0 CCADLP CN(C)c1nc(N2CCN(c3[nH+]ccn3C)CC2)cc[nH+]1 ZINC000078293508 633530702 /nfs/dbraw/zinc/53/07/02/633530702.db2.gz IAIGAHLOEQYQPV-UHFFFAOYSA-N 2 2 287.371 0.603 20 0 CCADLP c1cn(Cc2cn(C[C@H]3CCCC[NH2+]C3)nn2)c[nH+]1 ZINC000899741243 633884341 /nfs/dbraw/zinc/88/43/41/633884341.db2.gz NYBWJCKDMCWKNG-LBPRGKRZSA-N 2 2 260.345 0.913 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)c1ccnn1CC[NH+](C)C ZINC000900215947 633973176 /nfs/dbraw/zinc/97/31/76/633973176.db2.gz RDTRGSPYOITONC-LBPRGKRZSA-N 2 2 290.371 0.460 20 0 CCADLP Nc1ccc(Cn2cc(C[C@H]3CC[NH2+]C3)nn2)c[nH+]1 ZINC000905814411 634911508 /nfs/dbraw/zinc/91/15/08/634911508.db2.gz AZEIVSDJBPAJGU-SNVBAGLBSA-N 2 2 258.329 0.456 20 0 CCADLP O=C(N[C@H]1CCc2c[nH+]cn2C1)C12CC[NH+](CC1)C2 ZINC000908133448 635287273 /nfs/dbraw/zinc/28/72/73/635287273.db2.gz BTXHEMXQRFENLD-NSHDSACASA-N 2 2 260.341 0.410 20 0 CCADLP Cc1nocc1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001010370308 650208716 /nfs/dbraw/zinc/20/87/16/650208716.db2.gz VHODKFOACHEABC-KGLIPLIRSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1nocc1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001010370308 650208718 /nfs/dbraw/zinc/20/87/18/650208718.db2.gz VHODKFOACHEABC-KGLIPLIRSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1nocc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010370308 650208720 /nfs/dbraw/zinc/20/87/20/650208720.db2.gz VHODKFOACHEABC-KGLIPLIRSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1nocc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010370308 650208722 /nfs/dbraw/zinc/20/87/22/650208722.db2.gz VHODKFOACHEABC-KGLIPLIRSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1ncc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)o1 ZINC001010383534 650212871 /nfs/dbraw/zinc/21/28/71/650212871.db2.gz WWGPCYHCNKLNOL-JSGCOSHPSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1ncc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)o1 ZINC001010383534 650212877 /nfs/dbraw/zinc/21/28/77/650212877.db2.gz WWGPCYHCNKLNOL-JSGCOSHPSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)o1 ZINC001010383534 650212883 /nfs/dbraw/zinc/21/28/83/650212883.db2.gz WWGPCYHCNKLNOL-JSGCOSHPSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)o1 ZINC001010383534 650212884 /nfs/dbraw/zinc/21/28/84/650212884.db2.gz WWGPCYHCNKLNOL-JSGCOSHPSA-N 2 2 292.383 0.768 20 0 CCADLP C[C@@H](C(=O)N1CC[C@H]([NH+]2CCC2)C1)[NH+]1CCSCC1 ZINC000912913975 636701654 /nfs/dbraw/zinc/70/16/54/636701654.db2.gz SGNNHECBIITHIQ-STQMWFEESA-N 2 2 283.441 0.730 20 0 CCADLP C[NH+]1C(C)(C)CC(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC1(C)C ZINC000067842560 637119114 /nfs/dbraw/zinc/11/91/14/637119114.db2.gz AEGWUXDGZVVYDP-PWSUYJOCSA-N 3 2 282.432 0.443 20 0 CCADLP C[C@@H](C(=O)NC12CC[NH+](CC1)C2)[NH+]1CCSCC1 ZINC000913630877 637389852 /nfs/dbraw/zinc/38/98/52/637389852.db2.gz FAXUSJSRXBYIGM-NSHDSACASA-N 2 2 269.414 0.388 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC23CC[NH+](CC2)C3)c[nH+]1 ZINC000913636477 637394802 /nfs/dbraw/zinc/39/48/02/637394802.db2.gz IEFCEYGWYZKQLE-UHFFFAOYSA-N 2 2 262.357 0.891 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000914083061 637506489 /nfs/dbraw/zinc/50/64/89/637506489.db2.gz NYDFSXMXZCGWEL-AGIUHOORSA-N 2 2 284.404 0.099 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC2(CC1)OCCO2)C1CC1 ZINC000312110381 637538436 /nfs/dbraw/zinc/53/84/36/637538436.db2.gz MBYNOCWBOZSOTO-CYBMUJFWSA-N 2 2 270.373 0.280 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC2(CC1)OCCO2)C1CC1 ZINC000312110381 637538445 /nfs/dbraw/zinc/53/84/45/637538445.db2.gz MBYNOCWBOZSOTO-CYBMUJFWSA-N 2 2 270.373 0.280 20 0 CCADLP O=C(NC1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1)C1CC1 ZINC000915226651 637736137 /nfs/dbraw/zinc/73/61/37/637736137.db2.gz OIZIRFYRRWPRQQ-HNNXBMFYSA-N 2 2 295.427 0.434 20 0 CCADLP COCC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000994231673 637879136 /nfs/dbraw/zinc/87/91/36/637879136.db2.gz OKNAIGCXTLNQSF-OCCSQVGLSA-N 2 2 294.399 0.578 20 0 CCADLP COCC[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000994231673 637879144 /nfs/dbraw/zinc/87/91/44/637879144.db2.gz OKNAIGCXTLNQSF-OCCSQVGLSA-N 2 2 294.399 0.578 20 0 CCADLP FC(F)(F)CN1CC[C@H](C[NH2+][C@@H]2C[NH2+]CCOC2)C1 ZINC000925479428 638134132 /nfs/dbraw/zinc/13/41/32/638134132.db2.gz ZJWQYGXXGLUETO-GHMZBOCLSA-N 2 2 281.322 0.449 20 0 CCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1[NH2+]CCO ZINC000939542139 638376002 /nfs/dbraw/zinc/37/60/02/638376002.db2.gz TZKWHUNSSXDLAP-GHMZBOCLSA-N 2 2 280.372 0.116 20 0 CCADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000070149786 638460003 /nfs/dbraw/zinc/46/00/03/638460003.db2.gz VEXGDTZLSPRJGB-ZDUSSCGKSA-N 2 2 298.431 0.174 20 0 CCADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000070149786 638460005 /nfs/dbraw/zinc/46/00/05/638460005.db2.gz VEXGDTZLSPRJGB-ZDUSSCGKSA-N 2 2 298.431 0.174 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001016108769 638918940 /nfs/dbraw/zinc/91/89/40/638918940.db2.gz WXMMZTBETAANLO-ZYHUDNBSSA-N 2 2 280.372 0.486 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001016108769 638918943 /nfs/dbraw/zinc/91/89/43/638918943.db2.gz WXMMZTBETAANLO-ZYHUDNBSSA-N 2 2 280.372 0.486 20 0 CCADLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]CC2CC2)C1 ZINC000999914290 639018450 /nfs/dbraw/zinc/01/84/50/639018450.db2.gz AJMQGIJKXCTOFK-UHFFFAOYSA-N 2 2 262.357 0.872 20 0 CCADLP O=c1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc[nH]1 ZINC000921690533 639042739 /nfs/dbraw/zinc/04/27/39/639042739.db2.gz OMLXWPGOVMWKGI-OLZOCXBDSA-N 2 2 263.341 0.740 20 0 CCADLP O=c1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc[nH]1 ZINC000921690533 639042741 /nfs/dbraw/zinc/04/27/41/639042741.db2.gz OMLXWPGOVMWKGI-OLZOCXBDSA-N 2 2 263.341 0.740 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](CCCO)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001014942953 650506630 /nfs/dbraw/zinc/50/66/30/650506630.db2.gz WEUVWLPRILXZGV-GFCCVEGCSA-N 2 2 288.351 0.749 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](CCCO)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001014942953 650506633 /nfs/dbraw/zinc/50/66/33/650506633.db2.gz WEUVWLPRILXZGV-GFCCVEGCSA-N 2 2 288.351 0.749 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001003844270 639633700 /nfs/dbraw/zinc/63/37/00/639633700.db2.gz GATBAXGJHNBZHN-LBPRGKRZSA-N 2 2 292.383 0.569 20 0 CCADLP COCC[NH+]1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001003842804 639633783 /nfs/dbraw/zinc/63/37/83/639633783.db2.gz SJXAJSOGQGSBHO-UHFFFAOYSA-N 2 2 266.345 0.179 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](CCCF)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001015001947 650513371 /nfs/dbraw/zinc/51/33/71/650513371.db2.gz XPZQMNVSPAJJAL-CHWSQXEVSA-N 2 2 294.374 0.996 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](CCCF)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001015001947 650513372 /nfs/dbraw/zinc/51/33/72/650513372.db2.gz XPZQMNVSPAJJAL-CHWSQXEVSA-N 2 2 294.374 0.996 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)NCc2ccccc2)CC1 ZINC000321846594 639875904 /nfs/dbraw/zinc/87/59/04/639875904.db2.gz URODNILFEYTLKJ-UHFFFAOYSA-N 2 2 276.384 0.909 20 0 CCADLP [NH3+]C[C@@H]1CCCC[N@@H+]1C[C@H](O)COC[C@@H]1CCCO1 ZINC000923280966 640067539 /nfs/dbraw/zinc/06/75/39/640067539.db2.gz MOTMWSUOZLZGNL-IHRRRGAJSA-N 2 2 272.389 0.356 20 0 CCADLP [NH3+]C[C@@H]1CCCC[N@H+]1C[C@H](O)COC[C@@H]1CCCO1 ZINC000923280966 640067544 /nfs/dbraw/zinc/06/75/44/640067544.db2.gz MOTMWSUOZLZGNL-IHRRRGAJSA-N 2 2 272.389 0.356 20 0 CCADLP C[C@@H](C[NH3+])[N@H+](C)C[C@@H](O)COc1ccccc1F ZINC000923289701 640072796 /nfs/dbraw/zinc/07/27/96/640072796.db2.gz KDUGPMJVGIOTHT-WDEREUQCSA-N 2 2 256.321 0.844 20 0 CCADLP C[C@@H](C[NH3+])[N@@H+](C)C[C@@H](O)COc1ccccc1F ZINC000923289701 640072801 /nfs/dbraw/zinc/07/28/01/640072801.db2.gz KDUGPMJVGIOTHT-WDEREUQCSA-N 2 2 256.321 0.844 20 0 CCADLP Cc1ncc(C[NH+]2CCN([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)s1 ZINC000923328267 640083207 /nfs/dbraw/zinc/08/32/07/640083207.db2.gz VHHJJHUHFSGKRL-UBHSHLNASA-N 2 2 296.440 0.420 20 0 CCADLP O[C@@H](Cn1cccn1)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000923363919 640102331 /nfs/dbraw/zinc/10/23/31/640102331.db2.gz FEAYNTWDASZKJR-QLFBSQMISA-N 2 2 278.400 0.851 20 0 CCADLP O[C@@H](Cn1cccn1)C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000923363919 640102345 /nfs/dbraw/zinc/10/23/45/640102345.db2.gz FEAYNTWDASZKJR-QLFBSQMISA-N 2 2 278.400 0.851 20 0 CCADLP O[C@@H](C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)C(F)(F)F ZINC000923366755 640103074 /nfs/dbraw/zinc/10/30/74/640103074.db2.gz QEFJOOJQNCKTAF-VHSXEESVSA-N 2 2 252.280 0.985 20 0 CCADLP O[C@@H](C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)C(F)(F)F ZINC000923366755 640103079 /nfs/dbraw/zinc/10/30/79/640103079.db2.gz QEFJOOJQNCKTAF-VHSXEESVSA-N 2 2 252.280 0.985 20 0 CCADLP Clc1cc2c(nn1)C[N@H+](C[C@@H]1CC3(C[NH2+]C3)CO1)CC2 ZINC000923385123 640114768 /nfs/dbraw/zinc/11/47/68/640114768.db2.gz VREDNCLVXQMRAG-NSHDSACASA-N 2 2 294.786 0.867 20 0 CCADLP Clc1cc2c(nn1)C[N@@H+](C[C@@H]1CC3(C[NH2+]C3)CO1)CC2 ZINC000923385123 640114782 /nfs/dbraw/zinc/11/47/82/640114782.db2.gz VREDNCLVXQMRAG-NSHDSACASA-N 2 2 294.786 0.867 20 0 CCADLP [NH3+]CC[N@H+](C[C@@H](O)CO)CC1CCC2(CC2)CC1 ZINC000923388479 640118666 /nfs/dbraw/zinc/11/86/66/640118666.db2.gz OUUTUBZSWSXIEX-CYBMUJFWSA-N 2 2 256.390 0.571 20 0 CCADLP [NH3+]CC[N@@H+](C[C@@H](O)CO)CC1CCC2(CC2)CC1 ZINC000923388479 640118674 /nfs/dbraw/zinc/11/86/74/640118674.db2.gz OUUTUBZSWSXIEX-CYBMUJFWSA-N 2 2 256.390 0.571 20 0 CCADLP [NH3+][C@]1(CO)CCC[N@H+](CCC(=O)Nc2cccnc2)C1 ZINC000923474069 640154572 /nfs/dbraw/zinc/15/45/72/640154572.db2.gz WTRBUNXRNZRFBA-CQSZACIVSA-N 2 2 278.356 0.196 20 0 CCADLP [NH3+][C@]1(CO)CCC[N@@H+](CCC(=O)Nc2cccnc2)C1 ZINC000923474069 640154576 /nfs/dbraw/zinc/15/45/76/640154576.db2.gz WTRBUNXRNZRFBA-CQSZACIVSA-N 2 2 278.356 0.196 20 0 CCADLP CN(C(=O)Cc1c[nH+]cn1C)C1CC[NH+](CCF)CC1 ZINC001006291964 640218120 /nfs/dbraw/zinc/21/81/20/640218120.db2.gz JQTHXLKRAHRYOU-UHFFFAOYSA-N 2 2 282.363 0.855 20 0 CCADLP O=C1CC[C@H]([N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C(=O)N1 ZINC000799143824 640548884 /nfs/dbraw/zinc/54/88/84/640548884.db2.gz RTCMUYRCSBHXPW-XBFCOCLRSA-N 2 2 291.395 0.740 20 0 CCADLP O=C1CC[C@H]([N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C(=O)N1 ZINC000799143824 640548898 /nfs/dbraw/zinc/54/88/98/640548898.db2.gz RTCMUYRCSBHXPW-XBFCOCLRSA-N 2 2 291.395 0.740 20 0 CCADLP O=C1CC[C@H]([NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C(=O)N1 ZINC000799143824 640548907 /nfs/dbraw/zinc/54/89/07/640548907.db2.gz RTCMUYRCSBHXPW-XBFCOCLRSA-N 2 2 291.395 0.740 20 0 CCADLP O=C1CC[C@H]([NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C(=O)N1 ZINC000799143824 640548914 /nfs/dbraw/zinc/54/89/14/640548914.db2.gz RTCMUYRCSBHXPW-XBFCOCLRSA-N 2 2 291.395 0.740 20 0 CCADLP O[C@H](C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(F)cn1 ZINC000799297214 640557327 /nfs/dbraw/zinc/55/73/27/640557327.db2.gz SXXVVPPQRDPBOF-OUJBWJOFSA-N 2 2 251.305 0.405 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@H+](CCCO)C1 ZINC001015721462 650616684 /nfs/dbraw/zinc/61/66/84/650616684.db2.gz JSEPCGJBVZPRAY-YNEHKIRRSA-N 2 2 292.383 0.097 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCO)C1 ZINC001015721462 650616685 /nfs/dbraw/zinc/61/66/85/650616685.db2.gz JSEPCGJBVZPRAY-YNEHKIRRSA-N 2 2 292.383 0.097 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@H+](CCCF)C1 ZINC001015997254 650671905 /nfs/dbraw/zinc/67/19/05/650671905.db2.gz YPSRHNWJSSWVNU-LLVKDONJSA-N 2 2 268.336 0.513 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@@H+](CCCF)C1 ZINC001015997254 650671907 /nfs/dbraw/zinc/67/19/07/650671907.db2.gz YPSRHNWJSSWVNU-LLVKDONJSA-N 2 2 268.336 0.513 20 0 CCADLP C[C@H](F)CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001015995826 650672457 /nfs/dbraw/zinc/67/24/57/650672457.db2.gz AOYNPUJDYCPJOI-RYUDHWBXSA-N 2 2 282.363 0.901 20 0 CCADLP C[C@H](F)CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001015995826 650672461 /nfs/dbraw/zinc/67/24/61/650672461.db2.gz AOYNPUJDYCPJOI-RYUDHWBXSA-N 2 2 282.363 0.901 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C[NH+]1CCCC1 ZINC000824432716 641826307 /nfs/dbraw/zinc/82/63/07/641826307.db2.gz ZSJTZICGKRLSRZ-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C[NH+]1CCCC1 ZINC000824432716 641826309 /nfs/dbraw/zinc/82/63/09/641826309.db2.gz ZSJTZICGKRLSRZ-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP O=C(N1CCC(c2[nH]cc[nH+]2)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000827980161 642057079 /nfs/dbraw/zinc/05/70/79/642057079.db2.gz JRNAZIYGGHSTRQ-CYBMUJFWSA-N 2 2 266.320 0.817 20 0 CCADLP [NH3+]CCCCCCNC(=O)NCCn1cc[nH+]c1 ZINC000831094555 642313775 /nfs/dbraw/zinc/31/37/75/642313775.db2.gz MNFJEULPVRFLQD-UHFFFAOYSA-N 2 2 253.350 0.701 20 0 CCADLP CN(CC[N@H+](C)C1CC1)C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000832082321 642434749 /nfs/dbraw/zinc/43/47/49/642434749.db2.gz LLIUQZAWSDFLGF-UHFFFAOYSA-N 2 2 277.372 0.222 20 0 CCADLP CN(CC[N@@H+](C)C1CC1)C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000832082321 642434756 /nfs/dbraw/zinc/43/47/56/642434756.db2.gz LLIUQZAWSDFLGF-UHFFFAOYSA-N 2 2 277.372 0.222 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC12CC[NH+](CCF)CC2 ZINC001016994083 650775744 /nfs/dbraw/zinc/77/57/44/650775744.db2.gz HOZVGBMASCHVHE-GFCCVEGCSA-N 2 2 280.347 0.823 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CCCCCCO)C1 ZINC000843369097 643039577 /nfs/dbraw/zinc/03/95/77/643039577.db2.gz CMCJEWYURZTYOK-AWEZNQCLSA-N 2 2 283.416 0.435 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CCCCCCO)C1 ZINC000843369097 643039581 /nfs/dbraw/zinc/03/95/81/643039581.db2.gz CMCJEWYURZTYOK-AWEZNQCLSA-N 2 2 283.416 0.435 20 0 CCADLP O=C(CO[C@@H]1CCC[NH2+]C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000844174644 643171389 /nfs/dbraw/zinc/17/13/89/643171389.db2.gz PPVYKNZXIYXQFS-CHWSQXEVSA-N 2 2 292.383 0.884 20 0 CCADLP CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]cn1C ZINC001018177207 650846883 /nfs/dbraw/zinc/84/68/83/650846883.db2.gz WRQVXOPXUCYIFJ-TXEJJXNPSA-N 2 2 262.357 0.658 20 0 CCADLP CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]cn1C ZINC001018177207 650846884 /nfs/dbraw/zinc/84/68/84/650846884.db2.gz WRQVXOPXUCYIFJ-TXEJJXNPSA-N 2 2 262.357 0.658 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000848598599 643659505 /nfs/dbraw/zinc/65/95/05/643659505.db2.gz NLGLYQJBHVONNT-ZETCQYMHSA-N 2 2 265.239 0.109 20 0 CCADLP C[N@@H+](CC1=CCCOC1)C[C@H](O)C[NH+]1CCCC1 ZINC000852519298 643976699 /nfs/dbraw/zinc/97/66/99/643976699.db2.gz YDEPCIYLNHCSMV-AWEZNQCLSA-N 2 2 254.374 0.722 20 0 CCADLP C[N@H+](CC1=CCCOC1)C[C@H](O)C[NH+]1CCCC1 ZINC000852519298 643976700 /nfs/dbraw/zinc/97/67/00/643976700.db2.gz YDEPCIYLNHCSMV-AWEZNQCLSA-N 2 2 254.374 0.722 20 0 CCADLP [NH3+]C[C@H]1CC(C(=O)NCCCCNc2cccc[nH+]2)=NO1 ZINC000852864901 644031168 /nfs/dbraw/zinc/03/11/68/644031168.db2.gz LVRMFLMHCYCQKV-LLVKDONJSA-N 2 2 291.355 0.494 20 0 CCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCC(=O)C1 ZINC000855345548 644307178 /nfs/dbraw/zinc/30/71/78/644307178.db2.gz TWLOEJFNRGNSTE-QWHCGFSZSA-N 2 2 283.416 0.744 20 0 CCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCC(=O)C1 ZINC000855345548 644307186 /nfs/dbraw/zinc/30/71/86/644307186.db2.gz TWLOEJFNRGNSTE-QWHCGFSZSA-N 2 2 283.416 0.744 20 0 CCADLP C[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)N1CC[NH+](C)CC1 ZINC000925490140 644411575 /nfs/dbraw/zinc/41/15/75/644411575.db2.gz AVCHIVZZGLGNAO-KGLIPLIRSA-N 3 2 266.433 0.497 20 0 CCADLP [NH3+][C@]12CCC[C@H]1C[N@@H+]([C@H]1CCN(C3CCOCC3)C1=O)C2 ZINC000857085369 644461842 /nfs/dbraw/zinc/46/18/42/644461842.db2.gz CHFNFYONRUTLIR-NOLJZWGESA-N 2 2 293.411 0.580 20 0 CCADLP [NH3+][C@]12CCC[C@H]1C[N@H+]([C@H]1CCN(C3CCOCC3)C1=O)C2 ZINC000857085369 644461849 /nfs/dbraw/zinc/46/18/49/644461849.db2.gz CHFNFYONRUTLIR-NOLJZWGESA-N 2 2 293.411 0.580 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)C2CC[NH+](C3CC3)CC2)c1 ZINC000857534333 644532381 /nfs/dbraw/zinc/53/23/81/644532381.db2.gz HBYZWURPRDVDJP-UHFFFAOYSA-N 2 2 276.384 0.953 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N2CC[C@H]([NH2+]C[C@@H](C)O)C2)c[nH+]1 ZINC001019030838 650931738 /nfs/dbraw/zinc/93/17/38/650931738.db2.gz VUQPCDMDPMDZKV-OLZOCXBDSA-N 2 2 294.399 0.498 20 0 CCADLP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C(c1ccnn1C)c1ccnn1C ZINC000863548349 645105256 /nfs/dbraw/zinc/10/52/56/645105256.db2.gz OSZAXNURKUPRDW-GHMZBOCLSA-N 2 2 276.388 0.958 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)c1ccccc1 ZINC000863571112 645109032 /nfs/dbraw/zinc/10/90/32/645109032.db2.gz QMQCSJFIAFQLQC-LSDHHAIUSA-N 2 2 291.395 0.649 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)c1ccccc1 ZINC000863571112 645109038 /nfs/dbraw/zinc/10/90/38/645109038.db2.gz QMQCSJFIAFQLQC-LSDHHAIUSA-N 2 2 291.395 0.649 20 0 CCADLP C[C@@H]1C[C@H]1NC(=[NH2+])NCc1c[nH+]c(N(C)C)n1C ZINC000864458245 645229408 /nfs/dbraw/zinc/22/94/08/645229408.db2.gz JVFCNUSNLHUYMM-PSASIEDQSA-N 2 2 250.350 0.508 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000865343994 645356386 /nfs/dbraw/zinc/35/63/86/645356386.db2.gz WTAKQKYMMRUPAU-MXWKQRLJSA-N 2 2 251.334 0.308 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000865344982 645356874 /nfs/dbraw/zinc/35/68/74/645356874.db2.gz UJXBMGPVBZQAHA-STQMWFEESA-N 2 2 277.372 0.809 20 0 CCADLP C[NH+](C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCF)C1)c1cccnc1 ZINC001019834216 651009825 /nfs/dbraw/zinc/00/98/25/651009825.db2.gz ZFMLMXUQOIRJRL-UONOGXRCSA-N 2 2 294.374 0.844 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001020308494 651058095 /nfs/dbraw/zinc/05/80/95/651058095.db2.gz GEKPWWFYYPNLQH-CYDGBPFRSA-N 2 2 292.383 0.063 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[C@H](C)[NH+]1CCOCC1 ZINC000870883027 646035300 /nfs/dbraw/zinc/03/53/00/646035300.db2.gz YENNDJJMGXVGBT-XJFOESAGSA-N 2 2 283.416 0.729 20 0 CCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000870883213 646036606 /nfs/dbraw/zinc/03/66/06/646036606.db2.gz NLTWNVKSCPBUSP-BFHYXJOUSA-N 2 2 282.432 0.256 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872152538 646215812 /nfs/dbraw/zinc/21/58/12/646215812.db2.gz SWWGPRPUYMLISH-IJLUTSLNSA-N 2 2 295.349 0.776 20 0 CCADLP O=C([C@@H](F)[C@H]1CC[NH2+]C1)N1CC[NH+](C2CC2)CC1 ZINC000876718952 646649860 /nfs/dbraw/zinc/64/98/60/646649860.db2.gz ZRSNOWGVVWEBEG-JQWIXIFHSA-N 2 2 255.337 0.241 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876730350 646652022 /nfs/dbraw/zinc/65/20/22/646652022.db2.gz HPTJQPBRDGDQGY-SCRDCRAPSA-N 2 2 262.357 0.920 20 0 CCADLP O=C(NCCCNc1cccc[nH+]1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876728097 646652031 /nfs/dbraw/zinc/65/20/31/646652031.db2.gz XZMWURPFUWDXNG-DGCLKSJQSA-N 2 2 280.347 0.947 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876849807 646681453 /nfs/dbraw/zinc/68/14/53/646681453.db2.gz ZALZFJYGNMTPLH-QYWDNHJGSA-N 2 2 281.400 0.378 20 0 CCADLP [NH3+]C[C@@H]1[C@H](C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1(F)F ZINC000876889242 646691100 /nfs/dbraw/zinc/69/11/00/646691100.db2.gz YVORLLWKQOBXTM-CKYFFXLPSA-N 2 2 296.321 0.617 20 0 CCADLP CC(C)(C)[C@H](C[NH3+])NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876913116 646694889 /nfs/dbraw/zinc/69/48/89/646694889.db2.gz AQIDFKXDKHOCNC-ITKZLYELSA-N 2 2 269.389 0.364 20 0 CCADLP [NH3+][C@@H]1CCCC[C@H]1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876932268 646700396 /nfs/dbraw/zinc/70/03/96/646700396.db2.gz IGPHMFPKZFAHJL-QNTSXVQBSA-N 2 2 267.373 0.261 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)[C@H](C)CO1 ZINC000876961422 646707505 /nfs/dbraw/zinc/70/75/05/646707505.db2.gz TXZJSNQBNGXKKL-FDYHWXHSSA-N 2 2 287.379 0.159 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)[C@H](C)CO1 ZINC000876961422 646707509 /nfs/dbraw/zinc/70/75/09/646707509.db2.gz TXZJSNQBNGXKKL-FDYHWXHSSA-N 2 2 287.379 0.159 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@@H](C)CO1 ZINC000876961102 646707585 /nfs/dbraw/zinc/70/75/85/646707585.db2.gz QDFQFXZUBSJDQE-NAKRPEOUSA-N 2 2 291.342 0.052 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@@H](C)CO1 ZINC000876961102 646707586 /nfs/dbraw/zinc/70/75/86/646707586.db2.gz QDFQFXZUBSJDQE-NAKRPEOUSA-N 2 2 291.342 0.052 20 0 CCADLP C[C@H]([NH3+])CN(C)C(=O)[C@H]([NH3+])CN(C)Cc1ccccc1 ZINC000877108927 646734566 /nfs/dbraw/zinc/73/45/66/646734566.db2.gz XVFVBIMSKXPLKR-GXTWGEPZSA-N 2 2 278.400 0.251 20 0 CCADLP C[C@H]([NH3+])CN(C)C(=O)[C@@H]([NH3+])CN(C)Cc1ccccc1 ZINC000877108929 646735083 /nfs/dbraw/zinc/73/50/83/646735083.db2.gz XVFVBIMSKXPLKR-JSGCOSHPSA-N 2 2 278.400 0.251 20 0 CCADLP C[C@H](O)CCC[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880254274 647175103 /nfs/dbraw/zinc/17/51/03/647175103.db2.gz RAMXGVLPONYEOZ-AWEZNQCLSA-N 2 2 297.443 0.953 20 0 CCADLP FC(F)Cn1cc[nH+]c1Cn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000881363177 647306443 /nfs/dbraw/zinc/30/64/43/647306443.db2.gz JRRBATJHPRVVTO-SNVBAGLBSA-N 2 2 296.325 0.940 20 0 CCADLP [NH3+]CC[N@@H+](CCc1ccccc1)CCn1cnnn1 ZINC000883427835 647525406 /nfs/dbraw/zinc/52/54/06/647525406.db2.gz DIEVIJIWGNJCIJ-UHFFFAOYSA-N 2 2 260.345 0.177 20 0 CCADLP [NH3+]CC[N@H+](CCc1ccccc1)CCn1cnnn1 ZINC000883427835 647525408 /nfs/dbraw/zinc/52/54/08/647525408.db2.gz DIEVIJIWGNJCIJ-UHFFFAOYSA-N 2 2 260.345 0.177 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N2CCCO[C@H](C[NH3+])C2)c[nH+]1 ZINC000884341562 647714702 /nfs/dbraw/zinc/71/47/02/647714702.db2.gz AEWPZGQMFXPDAM-GFCCVEGCSA-N 2 2 280.372 0.503 20 0 CCADLP [NH3+][C@@H](CC1CC1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000884405171 647729488 /nfs/dbraw/zinc/72/94/88/647729488.db2.gz JGKNMISAXJDEGN-STQMWFEESA-N 2 2 267.373 0.047 20 0 CCADLP [NH3+][C@H]1CCCN(Cc2cn(-c3cc[nH+]c(CO)c3)nn2)C1 ZINC000887419749 648104327 /nfs/dbraw/zinc/10/43/27/648104327.db2.gz ZFXCGYPSOPSFAR-NSHDSACASA-N 2 2 288.355 0.078 20 0 CCADLP C[C@H]([NH3+])Cn1cc(-c2csc(Cn3cc[nH+]c3)n2)nn1 ZINC000887531451 648124221 /nfs/dbraw/zinc/12/42/21/648124221.db2.gz OZUJAPLGJQCUFB-VIFPVBQESA-N 2 2 289.368 0.994 20 0 CCADLP Cn1c[nH+]cc1CN1C(=O)N[C@H](C[NH+]2CCCCC2)C1=O ZINC000924885360 648385863 /nfs/dbraw/zinc/38/58/63/648385863.db2.gz DHBOUQCBSHSAGK-GFCCVEGCSA-N 2 2 291.355 0.326 20 0 CCADLP O=C(NCC[NH2+][C@@H]1CC[NH2+]C12CCCC2)C1CC1 ZINC000925509332 648440033 /nfs/dbraw/zinc/44/00/33/648440033.db2.gz LRUDJMAWHQGNGT-GFCCVEGCSA-N 2 2 251.374 0.777 20 0 CCADLP OCC[C@@H]([NH2+][C@H]1C[NH2+]CCOC1)C1CCCCC1 ZINC000925616365 648447669 /nfs/dbraw/zinc/44/76/69/648447669.db2.gz RQVAFAWXRVULJP-UONOGXRCSA-N 2 2 256.390 0.896 20 0 CCADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000925699859 648454871 /nfs/dbraw/zinc/45/48/71/648454871.db2.gz XVGVONRURFFDQN-MNOVXSKESA-N 2 2 262.419 0.930 20 0 CCADLP O=S1(=O)CCC[C@@H]([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000925787263 648461337 /nfs/dbraw/zinc/46/13/37/648461337.db2.gz ZPZYXARACTXUSA-VHSXEESVSA-N 2 2 282.356 0.398 20 0 CCADLP C[C@@H]1[C@H](NC(=O)/C=C\C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000928436223 648632655 /nfs/dbraw/zinc/63/26/55/648632655.db2.gz OELUVDCBYQNMOF-FGTRRKKMSA-N 2 2 267.373 0.084 20 0 CCADLP C[C@@H]1[C@H](NC(=O)/C=C\C[NH+]2CCOCC2)CC[N@H+]1C ZINC000928436223 648632656 /nfs/dbraw/zinc/63/26/56/648632656.db2.gz OELUVDCBYQNMOF-FGTRRKKMSA-N 2 2 267.373 0.084 20 0 CCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H]1CC[N@H+]1C)C2 ZINC000928554729 648647436 /nfs/dbraw/zinc/64/74/36/648647436.db2.gz IOPZCQZHPVWEGW-NWDGAFQWSA-N 2 2 262.357 0.574 20 0 CCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H]1CC[N@@H+]1C)C2 ZINC000928554729 648647448 /nfs/dbraw/zinc/64/74/48/648647448.db2.gz IOPZCQZHPVWEGW-NWDGAFQWSA-N 2 2 262.357 0.574 20 0 CCADLP O=C(C[NH+]1CCCC1)N1CC[NH+](CCOC2CC2)CC1 ZINC000929512462 648748938 /nfs/dbraw/zinc/74/89/38/648748938.db2.gz CEZGJJKPLXFIAZ-UHFFFAOYSA-N 2 2 281.400 0.405 20 0 CCADLP C(=C/CN1CCn2cc[nH+]c21)\CN1CCn2cc[nH+]c21 ZINC000931517908 649000597 /nfs/dbraw/zinc/00/05/97/649000597.db2.gz AAPNGHUBPMIBSD-OWOJBTEDSA-N 2 2 270.340 0.976 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]1C1OCCO1 ZINC000933903613 649146947 /nfs/dbraw/zinc/14/69/47/649146947.db2.gz SRMJFUUTLKQVIM-LBPRGKRZSA-N 2 2 251.330 0.800 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]1C1OCCO1 ZINC000933903613 649146951 /nfs/dbraw/zinc/14/69/51/649146951.db2.gz SRMJFUUTLKQVIM-LBPRGKRZSA-N 2 2 251.330 0.800 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)CCCCC[NH3+] ZINC000188173243 649342920 /nfs/dbraw/zinc/34/29/20/649342920.db2.gz GJAUEWBGHUTFPV-UHFFFAOYSA-N 2 2 271.405 0.733 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)CCCCC[NH3+] ZINC000188173243 649342924 /nfs/dbraw/zinc/34/29/24/649342924.db2.gz GJAUEWBGHUTFPV-UHFFFAOYSA-N 2 2 271.405 0.733 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCO)[C@H](C)C1 ZINC000947980931 649358118 /nfs/dbraw/zinc/35/81/18/649358118.db2.gz SDODHOKRWDYFOY-PWSUYJOCSA-N 2 2 280.372 0.222 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCO)[C@H](C)C1 ZINC000947980931 649358120 /nfs/dbraw/zinc/35/81/20/649358120.db2.gz SDODHOKRWDYFOY-PWSUYJOCSA-N 2 2 280.372 0.222 20 0 CCADLP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CC[NH+](CCCO)CC1 ZINC000949472757 649425757 /nfs/dbraw/zinc/42/57/57/649425757.db2.gz KLQPPFWCWDXQLR-HNNXBMFYSA-N 2 2 295.427 0.387 20 0 CCADLP CCN(CCC(N)=O)c1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001165048448 721983705 /nfs/dbraw/zinc/98/37/05/721983705.db2.gz YELLPWCUZQSBDI-UHFFFAOYSA-N 2 2 291.399 0.535 20 0 CCADLP Cc1nc(N2C[C@H]3COC[C@@H](C2)C3[NH3+])c2c([nH+]1)CCC2 ZINC001167188389 790688735 /nfs/dbraw/zinc/68/87/35/790688735.db2.gz XFPPMCAWNHUZOE-BVUQATHDSA-N 2 2 274.368 0.684 20 0 CCADLP CC[N@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)C[C@H](C)O ZINC001266431707 790693239 /nfs/dbraw/zinc/69/32/39/790693239.db2.gz KKFOBVUHZGICJG-JTQLQIEISA-N 2 2 268.361 0.080 20 0 CCADLP CC[N@@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)C[C@H](C)O ZINC001266431707 790693241 /nfs/dbraw/zinc/69/32/41/790693241.db2.gz KKFOBVUHZGICJG-JTQLQIEISA-N 2 2 268.361 0.080 20 0 CCADLP CCn1ccc(C[NH2+]CCCNC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001167345814 790932265 /nfs/dbraw/zinc/93/22/65/790932265.db2.gz ACRFHOXUUZALGA-UHFFFAOYSA-N 2 2 290.371 0.465 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@H]([NH2+]CCCF)C1 ZINC001266607826 791017199 /nfs/dbraw/zinc/01/71/99/791017199.db2.gz LIJVUYSIEKIJPY-HAQNSBGRSA-N 2 2 282.363 0.949 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]([NH2+]CCCF)C1 ZINC001266634769 791062985 /nfs/dbraw/zinc/06/29/85/791062985.db2.gz FEWQNBAEYGEAQF-XYPYZODXSA-N 2 2 268.336 0.857 20 0 CCADLP COc1cc[nH+]c(CN2CCOC[C@@H]2C[NH+](C)C)c1 ZINC001231968722 805876753 /nfs/dbraw/zinc/87/67/53/805876753.db2.gz WRGHAKTUKLSNGZ-ZDUSSCGKSA-N 2 2 265.357 0.853 20 0 CCADLP CNC(=O)C[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001232360374 805928848 /nfs/dbraw/zinc/92/88/48/805928848.db2.gz GNLUTSXFOXWGAY-UHFFFAOYSA-N 2 2 291.399 0.011 20 0 CCADLP CNC(=O)C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001232360374 805928856 /nfs/dbraw/zinc/92/88/56/805928856.db2.gz GNLUTSXFOXWGAY-UHFFFAOYSA-N 2 2 291.399 0.011 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@H]1CCC[NH2+][C@@H]1C ZINC001245982616 807107167 /nfs/dbraw/zinc/10/71/67/807107167.db2.gz LMKPDOGKVGUWTB-MGPQQGTHSA-N 3 2 257.422 0.667 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000723879270 791306478 /nfs/dbraw/zinc/30/64/78/791306478.db2.gz MVGJGYLLQHEEMQ-RYUDHWBXSA-N 2 2 292.445 0.414 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CCC1CC1 ZINC001266982113 791419580 /nfs/dbraw/zinc/41/95/80/791419580.db2.gz XPPYLIUUCGTYRS-JTQLQIEISA-N 2 2 250.346 0.847 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+]CC1CC1 ZINC001266989731 791425505 /nfs/dbraw/zinc/42/55/05/791425505.db2.gz JUCALAWVXMMPPE-VIFPVBQESA-N 2 2 250.346 0.765 20 0 CCADLP CCc1nnc(C[NH2+]CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001267072062 791501746 /nfs/dbraw/zinc/50/17/46/791501746.db2.gz PLQKCDCXIKRANR-LLVKDONJSA-N 2 2 295.387 0.132 20 0 CCADLP CCc1nnc(C[NH2+]CCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001267072062 791501754 /nfs/dbraw/zinc/50/17/54/791501754.db2.gz PLQKCDCXIKRANR-LLVKDONJSA-N 2 2 295.387 0.132 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCC[C@H](C)[NH2+]CCCO)c[nH+]1 ZINC001267136865 791581943 /nfs/dbraw/zinc/58/19/43/791581943.db2.gz YJLCXNJCTMBODJ-LBPRGKRZSA-N 2 2 296.415 0.793 20 0 CCADLP COCC[NH2+][C@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001267150316 791595116 /nfs/dbraw/zinc/59/51/16/791595116.db2.gz ADBMQHSNUDYFCN-SNVBAGLBSA-N 2 2 254.334 0.083 20 0 CCADLP CCCCOC(=O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000382218649 793246009 /nfs/dbraw/zinc/24/60/09/793246009.db2.gz VIEJIKFXEBLJQK-CYBMUJFWSA-N 2 2 269.389 0.309 20 0 CCADLP CCCCOC(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000382218649 793246014 /nfs/dbraw/zinc/24/60/14/793246014.db2.gz VIEJIKFXEBLJQK-CYBMUJFWSA-N 2 2 269.389 0.309 20 0 CCADLP CC(=O)[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001277884695 806300727 /nfs/dbraw/zinc/30/07/27/806300727.db2.gz DKAUHDYJZQURHG-BNOWGMLFSA-N 2 2 253.390 0.674 20 0 CCADLP CC(=O)[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001277884695 806300737 /nfs/dbraw/zinc/30/07/37/806300737.db2.gz DKAUHDYJZQURHG-BNOWGMLFSA-N 2 2 253.390 0.674 20 0 CCADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234979384 806324646 /nfs/dbraw/zinc/32/46/46/806324646.db2.gz DZHFZYLQIXYXCZ-UPJWGTAASA-N 3 2 288.386 0.115 20 0 CCADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1CN1CCNC[C@@]12CC[NH2+]C2 ZINC001234979384 806324656 /nfs/dbraw/zinc/32/46/56/806324656.db2.gz DZHFZYLQIXYXCZ-UPJWGTAASA-N 2 2 288.386 0.115 20 0 CCADLP c1ncn(-c2ccccc2C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)n1 ZINC001235052169 806352680 /nfs/dbraw/zinc/35/26/80/806352680.db2.gz FCRBEWHJYYGEBS-MRXNPFEDSA-N 2 2 298.394 0.405 20 0 CCADLP c1ncn(-c2ccccc2C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)n1 ZINC001235052169 806352689 /nfs/dbraw/zinc/35/26/89/806352689.db2.gz FCRBEWHJYYGEBS-MRXNPFEDSA-N 2 2 298.394 0.405 20 0 CCADLP COCOc1cccc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1 ZINC001235060275 806361267 /nfs/dbraw/zinc/36/12/67/806361267.db2.gz GQLPGCIHHOMTAP-INIZCTEOSA-N 2 2 291.395 0.807 20 0 CCADLP COCOc1cccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1 ZINC001235060275 806361275 /nfs/dbraw/zinc/36/12/75/806361275.db2.gz GQLPGCIHHOMTAP-INIZCTEOSA-N 2 2 291.395 0.807 20 0 CCADLP c1cc2c(cc1C[N@@H+]1CC[C@@H]3OCCN[C@H]3C1)CC[NH2+]C2 ZINC001235206982 806387408 /nfs/dbraw/zinc/38/74/08/806387408.db2.gz SFVSEOUEVHWKBT-IRXDYDNUSA-N 2 2 287.407 0.895 20 0 CCADLP c1cc2c(cc1C[N@H+]1CC[C@@H]3OCCN[C@H]3C1)CC[NH2+]C2 ZINC001235206982 806387415 /nfs/dbraw/zinc/38/74/15/806387415.db2.gz SFVSEOUEVHWKBT-IRXDYDNUSA-N 2 2 287.407 0.895 20 0 CCADLP c1ccc(N2CC[NH2+]CC2)c(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC001235261674 806397000 /nfs/dbraw/zinc/39/70/00/806397000.db2.gz PKSUIKPOJVGFPL-WBVHZDCISA-N 3 2 286.423 0.890 20 0 CCADLP c1ccc(N2CC[NH2+]CC2)c(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC001235261674 806397009 /nfs/dbraw/zinc/39/70/09/806397009.db2.gz PKSUIKPOJVGFPL-WBVHZDCISA-N 3 2 286.423 0.890 20 0 CCADLP CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1CC[NH3+] ZINC001235517284 806442701 /nfs/dbraw/zinc/44/27/01/806442701.db2.gz NLRCHJJLTKBNAA-CYBMUJFWSA-N 2 2 279.388 0.458 20 0 CCADLP Cc1ncn(C)c1C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001235557704 806455745 /nfs/dbraw/zinc/45/57/45/806455745.db2.gz WOMZNBIYXLQCQX-CYBMUJFWSA-N 2 2 293.415 0.371 20 0 CCADLP Cc1ncn(C)c1C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001235557704 806455747 /nfs/dbraw/zinc/45/57/47/806455747.db2.gz WOMZNBIYXLQCQX-CYBMUJFWSA-N 2 2 293.415 0.371 20 0 CCADLP C[C@H]([NH3+])C[NH+]1C[C@@H]2CN(C(=O)c3ccco3)C[C@H]2C1 ZINC001235583434 806463120 /nfs/dbraw/zinc/46/31/20/806463120.db2.gz QPSLANORXCZDIG-QJPTWQEYSA-N 2 2 263.341 0.631 20 0 CCADLP [NH3+]CC[N@@H+]1CC[C@]2(C[C@@H]2C(=O)NCc2cccnc2)C1 ZINC001235610596 806473629 /nfs/dbraw/zinc/47/36/29/806473629.db2.gz CJZATRHNJSXBTF-HIFRSBDPSA-N 2 2 274.368 0.369 20 0 CCADLP [NH3+]CC[N@H+]1CC[C@]2(C[C@@H]2C(=O)NCc2cccnc2)C1 ZINC001235610596 806473632 /nfs/dbraw/zinc/47/36/32/806473632.db2.gz CJZATRHNJSXBTF-HIFRSBDPSA-N 2 2 274.368 0.369 20 0 CCADLP [NH3+]CC[N@@H+]1CCC[C@@]2(CCN(Cc3ccncc3)C2=O)C1 ZINC001235617511 806474552 /nfs/dbraw/zinc/47/45/52/806474552.db2.gz GAFYPFVNXXZAFH-MRXNPFEDSA-N 2 2 288.395 0.855 20 0 CCADLP [NH3+]CC[N@H+]1CCC[C@@]2(CCN(Cc3ccncc3)C2=O)C1 ZINC001235617511 806474556 /nfs/dbraw/zinc/47/45/56/806474556.db2.gz GAFYPFVNXXZAFH-MRXNPFEDSA-N 2 2 288.395 0.855 20 0 CCADLP C[C@@H]([NH3+])C[NH+]1CCC2(C[C@H]2C(=O)N2CCOCC2)CC1 ZINC001235624306 806475769 /nfs/dbraw/zinc/47/57/69/806475769.db2.gz JTHJPCCKPVYRJS-OLZOCXBDSA-N 2 2 281.400 0.295 20 0 CCADLP CC1(C)[NH2+]C[C@@H](CN2CC[NH+](C3CC[NH2+]CC3)CC2)O1 ZINC001235699246 806494781 /nfs/dbraw/zinc/49/47/81/806494781.db2.gz NMNPFTVWGNBRIF-AWEZNQCLSA-N 3 2 282.432 0.081 20 0 CCADLP C[C@@H]([NH3+])C[NH+]1CCC(OCC(=O)NC2CC2)CC1 ZINC001235968573 806520094 /nfs/dbraw/zinc/52/00/94/806520094.db2.gz IXAHGFZSRXABNQ-SNVBAGLBSA-N 2 2 255.362 0.093 20 0 CCADLP COc1ccncc1C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235994430 806525947 /nfs/dbraw/zinc/52/59/47/806525947.db2.gz MMGKPMFPDALSNB-ONXXMXGDSA-N 2 2 263.341 0.496 20 0 CCADLP COc1ccncc1C[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235994430 806525950 /nfs/dbraw/zinc/52/59/50/806525950.db2.gz MMGKPMFPDALSNB-ONXXMXGDSA-N 2 2 263.341 0.496 20 0 CCADLP COC(=O)[C@@H]1CN(Cc2[nH+]c3ccccn3c2C)C[C@H]1[NH3+] ZINC001236339259 806570466 /nfs/dbraw/zinc/57/04/66/806570466.db2.gz CXOPZJWXEXPVOT-VXGBXAGGSA-N 2 2 288.351 0.575 20 0 CCADLP COC(=O)[C@H]1CN(Cc2ccn3cc[nH+]c3c2)C[C@@H]1[NH3+] ZINC001236346621 806577070 /nfs/dbraw/zinc/57/70/70/806577070.db2.gz IXSASFSAERLIOR-RYUDHWBXSA-N 2 2 274.324 0.266 20 0 CCADLP [NH3+]CCCC[NH+]1CCC([NH+]2CCC([NH3+])CC2)CC1 ZINC001236582918 806592881 /nfs/dbraw/zinc/59/28/81/806592881.db2.gz RUZLMSVUJHPUBM-UHFFFAOYSA-N 4 2 254.422 0.613 20 0 CCADLP C[NH+](C)CCCN1CC2(C1)C[NH+](Cc1cccc(=O)[nH]1)C2 ZINC001278049189 806638282 /nfs/dbraw/zinc/63/82/82/806638282.db2.gz IJUDZQFWIWHFBT-UHFFFAOYSA-N 2 2 290.411 0.857 20 0 CCADLP C[NH+](C)Cc1csc(CNC(=O)[C@H]2CCC[NH2+]2)n1 ZINC000722390885 806651345 /nfs/dbraw/zinc/65/13/45/806651345.db2.gz WMYRXHKQTRHGHJ-SNVBAGLBSA-N 2 2 268.386 0.573 20 0 CCADLP C[NH2+]CCNC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001120629382 798893766 /nfs/dbraw/zinc/89/37/66/798893766.db2.gz DKLCKCQWAMKVHR-UHFFFAOYSA-N 2 2 277.372 0.887 20 0 CCADLP C[N@@H+]1CCC[C@H](C[NH+]2C[C@H]3CCCO[C@H]3[C@@H](C(N)=O)C2)C1 ZINC001278142000 806714596 /nfs/dbraw/zinc/71/45/96/806714596.db2.gz CYQKWEORFBQJCS-LJISPDSOSA-N 2 2 295.427 0.541 20 0 CCADLP C[N@H+]1CCC[C@H](C[NH+]2C[C@H]3CCCO[C@H]3[C@@H](C(N)=O)C2)C1 ZINC001278142000 806714599 /nfs/dbraw/zinc/71/45/99/806714599.db2.gz CYQKWEORFBQJCS-LJISPDSOSA-N 2 2 295.427 0.541 20 0 CCADLP C[NH+]1CCC[C@H](C[N@@H+]2C[C@H]3CCCO[C@H]3[C@@H](C(N)=O)C2)C1 ZINC001278142000 806714604 /nfs/dbraw/zinc/71/46/04/806714604.db2.gz CYQKWEORFBQJCS-LJISPDSOSA-N 2 2 295.427 0.541 20 0 CCADLP C[NH+]1CCC[C@H](C[N@H+]2C[C@H]3CCCO[C@H]3[C@@H](C(N)=O)C2)C1 ZINC001278142000 806714608 /nfs/dbraw/zinc/71/46/08/806714608.db2.gz CYQKWEORFBQJCS-LJISPDSOSA-N 2 2 295.427 0.541 20 0 CCADLP O=C(NCCn1cc[nH+]c1)[C@]12CC[NH2+][C@H]1CCCC2 ZINC001121981060 799112684 /nfs/dbraw/zinc/11/26/84/799112684.db2.gz GYNSNUHUDIMTCW-GXTWGEPZSA-N 2 2 262.357 0.922 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC001121986335 799113927 /nfs/dbraw/zinc/11/39/27/799113927.db2.gz HJQWECIMGRNSSH-VXGBXAGGSA-N 2 2 262.357 0.943 20 0 CCADLP C[NH2+]C[C@H](O)[C@H](C)C(=O)NCCCNc1cccc[nH+]1 ZINC001121991497 799116059 /nfs/dbraw/zinc/11/60/59/799116059.db2.gz SFXBNTCZDJORAI-RYUDHWBXSA-N 2 2 280.372 0.216 20 0 CCADLP C[NH2+]C1(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)CCC1 ZINC001122139525 799152565 /nfs/dbraw/zinc/15/25/65/799152565.db2.gz ZIMIRHBUOVZSIF-VXGBXAGGSA-N 2 2 269.389 0.354 20 0 CCADLP C[NH2+]C1(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)CCC1 ZINC001122139525 799152568 /nfs/dbraw/zinc/15/25/68/799152568.db2.gz ZIMIRHBUOVZSIF-VXGBXAGGSA-N 2 2 269.389 0.354 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC001122175551 799161812 /nfs/dbraw/zinc/16/18/12/799161812.db2.gz ZPGOVIHZJMGPHF-VXGBXAGGSA-N 2 2 257.378 0.211 20 0 CCADLP C[C@@H](C(=O)N1CC[C@H](C[NH3+])[C@H](C)C1)n1cc[nH+]c1 ZINC001122209107 799170009 /nfs/dbraw/zinc/17/00/09/799170009.db2.gz AVKCZIRIBOVSNG-GRYCIOLGSA-N 2 2 250.346 0.887 20 0 CCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@H]1CCc2c[nH+]cn2C1 ZINC001122385562 799220253 /nfs/dbraw/zinc/22/02/53/799220253.db2.gz WLFGKONYCRRVIU-JULQROHOSA-N 2 2 260.341 0.455 20 0 CCADLP C[C@]1(CO)C[N@H+](Cc2cccc3c[nH+]cn32)CC[C@@H]1O ZINC001238107305 806750183 /nfs/dbraw/zinc/75/01/83/806750183.db2.gz OZUVSIOVBAYUDJ-LSDHHAIUSA-N 2 2 275.352 0.900 20 0 CCADLP C[C@]1(CO)C[N@@H+](Cc2cccc3c[nH+]cn32)CC[C@@H]1O ZINC001238107305 806750186 /nfs/dbraw/zinc/75/01/86/806750186.db2.gz OZUVSIOVBAYUDJ-LSDHHAIUSA-N 2 2 275.352 0.900 20 0 CCADLP CCc1nnc([C@H](C)[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)[nH]1 ZINC001124878454 799643492 /nfs/dbraw/zinc/64/34/92/799643492.db2.gz MSACGZCZFBYYDB-WDEREUQCSA-N 2 2 294.403 0.228 20 0 CCADLP CCc1nnc([C@H](C)[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)[nH]1 ZINC001124878454 799643495 /nfs/dbraw/zinc/64/34/95/799643495.db2.gz MSACGZCZFBYYDB-WDEREUQCSA-N 2 2 294.403 0.228 20 0 CCADLP Cc1ncoc1C[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001141053368 799977613 /nfs/dbraw/zinc/97/76/13/799977613.db2.gz DNIYRVOHHSOPTK-UHFFFAOYSA-N 2 2 252.362 0.662 20 0 CCADLP C[NH+]1CCC(C(=O)N2CCc3[nH+]ccn3CC2)CC1 ZINC001143311344 800229600 /nfs/dbraw/zinc/22/96/00/800229600.db2.gz IWMMQUOXZAJEQQ-UHFFFAOYSA-N 2 2 262.357 0.610 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)oc1C ZINC001151049738 800389045 /nfs/dbraw/zinc/38/90/45/800389045.db2.gz XSYLCCXEVYMLEB-GFCCVEGCSA-N 2 2 280.372 0.449 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)oc1C ZINC001151049738 800389051 /nfs/dbraw/zinc/38/90/51/800389051.db2.gz XSYLCCXEVYMLEB-GFCCVEGCSA-N 2 2 280.372 0.449 20 0 CCADLP O=S(=O)([C@H]1CC[NH2+]C1)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC001239094288 806846180 /nfs/dbraw/zinc/84/61/80/806846180.db2.gz TYTNXWXQMWSHLA-KBPBESRZSA-N 2 2 295.408 0.325 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CCc1ccns1 ZINC001153495353 800634933 /nfs/dbraw/zinc/63/49/33/800634933.db2.gz HNZDTRAXKPJAAA-UHFFFAOYSA-N 2 2 279.369 0.288 20 0 CCADLP C[C@@H]1C[C@@H](C[NH2+]CCNC(=O)Cn2cc[nH+]c2)CCO1 ZINC001153496220 800635518 /nfs/dbraw/zinc/63/55/18/800635518.db2.gz WNGPCLJSDZEEOI-OLZOCXBDSA-N 2 2 280.372 0.404 20 0 CCADLP Cc1nsc(C)c1C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153487957 800635728 /nfs/dbraw/zinc/63/57/28/800635728.db2.gz VUBVYOLYEMFIDL-UHFFFAOYSA-N 2 2 293.396 0.862 20 0 CCADLP C[NH+](C)CCN1CC[NH+](Cc2ccc(O)cn2)CC1 ZINC000133869035 800711115 /nfs/dbraw/zinc/71/11/15/800711115.db2.gz DMRNXOBKWZHHJM-UHFFFAOYSA-N 2 2 264.373 0.466 20 0 CCADLP CC[N@H+](Cc1ncccn1)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001154999522 800888607 /nfs/dbraw/zinc/88/86/07/800888607.db2.gz IZWOQUCJIRWMLP-CYBMUJFWSA-N 2 2 293.415 0.755 20 0 CCADLP CC[N@@H+](Cc1ncccn1)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001154999522 800888614 /nfs/dbraw/zinc/88/86/14/800888614.db2.gz IZWOQUCJIRWMLP-CYBMUJFWSA-N 2 2 293.415 0.755 20 0 CCADLP CCN(C)c1cc(C)[nH+]c(NC[C@H]2C[N@H+](C)CCO2)n1 ZINC001155193035 800927099 /nfs/dbraw/zinc/92/70/99/800927099.db2.gz CXZRYIFCQNOSEV-LBPRGKRZSA-N 2 2 279.388 0.984 20 0 CCADLP CCN(C)c1cc(C)[nH+]c(NC[C@H]2C[N@@H+](C)CCO2)n1 ZINC001155193035 800927105 /nfs/dbraw/zinc/92/71/05/800927105.db2.gz CXZRYIFCQNOSEV-LBPRGKRZSA-N 2 2 279.388 0.984 20 0 CCADLP CC[N@H+](C[C@H](C)OC)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155470182 800983193 /nfs/dbraw/zinc/98/31/93/800983193.db2.gz NOUZCNSGTVJSMX-NEPJUHHUSA-N 2 2 282.388 0.814 20 0 CCADLP CC[N@@H+](C[C@H](C)OC)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155470182 800983195 /nfs/dbraw/zinc/98/31/95/800983195.db2.gz NOUZCNSGTVJSMX-NEPJUHHUSA-N 2 2 282.388 0.814 20 0 CCADLP CN(c1cc(N2CCOCC2)nc[nH+]1)C1CC[NH2+]CC1 ZINC001156171513 801121012 /nfs/dbraw/zinc/12/10/12/801121012.db2.gz AMJQXNYXHHOBBU-UHFFFAOYSA-N 2 2 277.372 0.501 20 0 CCADLP CN(c1cc(N2CCOCC2)[nH+]cn1)C1CC[NH2+]CC1 ZINC001156171513 801121017 /nfs/dbraw/zinc/12/10/17/801121017.db2.gz AMJQXNYXHHOBBU-UHFFFAOYSA-N 2 2 277.372 0.501 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCCC[NH2+]CC1CCOCC1 ZINC001157265176 801334748 /nfs/dbraw/zinc/33/47/48/801334748.db2.gz NTTRMOGUADUYJO-UHFFFAOYSA-N 2 2 294.399 0.865 20 0 CCADLP CC(C)C[C@@](C)([NH3+])C(=O)NCCc1[nH+]ccn1C ZINC001157422715 801377123 /nfs/dbraw/zinc/37/71/23/801377123.db2.gz LZFJIZPDWOLGMB-CYBMUJFWSA-N 2 2 252.362 0.842 20 0 CCADLP C[C@@H]1CCC[C@H](C)N1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001157450880 801387533 /nfs/dbraw/zinc/38/75/33/801387533.db2.gz HKGGGNAWFIYHLM-OJROKELRSA-N 2 2 251.374 0.998 20 0 CCADLP COC1(C)CCN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001157688864 801456554 /nfs/dbraw/zinc/45/65/54/801456554.db2.gz MEJFJRWSRFORQN-LLVKDONJSA-N 2 2 266.345 0.307 20 0 CCADLP C[C@H]1c2ccccc2CCN1C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001157703080 801458982 /nfs/dbraw/zinc/45/89/82/801458982.db2.gz ICEYDVSHJURXSK-BPNCWPANSA-N 2 2 259.353 0.679 20 0 CCADLP COC(=O)c1cnc(NC(=[NH2+])N2CC[NH+](C)CC2)c(F)c1 ZINC001157914870 801519000 /nfs/dbraw/zinc/51/90/00/801519000.db2.gz NTYTZEKZPJQOEF-UHFFFAOYSA-N 2 2 295.318 0.601 20 0 CCADLP CC1(C)[NH2+][C@H](C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)CO1 ZINC001157968287 801543591 /nfs/dbraw/zinc/54/35/91/801543591.db2.gz HQEIDBDBEUZZCJ-KBPBESRZSA-N 2 2 289.379 0.884 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)Cc2ccccc21 ZINC001157982521 801544910 /nfs/dbraw/zinc/54/49/10/801544910.db2.gz NTLPSIUOAYPKJH-SUHUHFCYSA-N 2 2 259.353 0.822 20 0 CCADLP CC(C)N(c1cc[nH+]c(N2CCOCC2)n1)[C@@H]1CC[NH2+]C1 ZINC001158033695 801557591 /nfs/dbraw/zinc/55/75/91/801557591.db2.gz VTNJVIFYKKQJJY-CYBMUJFWSA-N 2 2 291.399 0.890 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cccc(Cl)n1 ZINC001158203922 801592532 /nfs/dbraw/zinc/59/25/32/801592532.db2.gz SPOOCMLQXFVSEN-MRVPVSSYSA-N 2 2 252.705 0.783 20 0 CCADLP CN(C)c1nccnc1N1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158258939 801608839 /nfs/dbraw/zinc/60/88/39/801608839.db2.gz MLZOHZCHEPUKPG-GFCCVEGCSA-N 2 2 290.415 0.544 20 0 CCADLP CN(C)c1nccnc1N1CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158258939 801608843 /nfs/dbraw/zinc/60/88/43/801608843.db2.gz MLZOHZCHEPUKPG-GFCCVEGCSA-N 2 2 290.415 0.544 20 0 CCADLP CN(C)c1cncc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158259191 801608985 /nfs/dbraw/zinc/60/89/85/801608985.db2.gz PELSETKVSJLIBQ-LBPRGKRZSA-N 2 2 290.415 0.544 20 0 CCADLP CN(C)c1cncc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158259191 801608987 /nfs/dbraw/zinc/60/89/87/801608987.db2.gz PELSETKVSJLIBQ-LBPRGKRZSA-N 2 2 290.415 0.544 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1C[NH+]2CCC1CC2 ZINC001158269372 801610641 /nfs/dbraw/zinc/61/06/41/801610641.db2.gz QCXGLAZNVBUXQZ-LBPRGKRZSA-N 2 2 262.357 0.800 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1C[NH+]2CCC1CC2 ZINC001158269372 801610646 /nfs/dbraw/zinc/61/06/46/801610646.db2.gz QCXGLAZNVBUXQZ-LBPRGKRZSA-N 2 2 262.357 0.800 20 0 CCADLP Nc1cccc(C[NH+]2CCN(c3cc[nH+]c(N)n3)CC2)c1 ZINC001158481599 801656405 /nfs/dbraw/zinc/65/64/05/801656405.db2.gz IJXLQNVPSDDTGC-UHFFFAOYSA-N 2 2 284.367 0.963 20 0 CCADLP C[N@H+](CCO)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001158533636 801662472 /nfs/dbraw/zinc/66/24/72/801662472.db2.gz CNBCWQWXKPNZGI-CYBMUJFWSA-N 2 2 280.372 0.257 20 0 CCADLP C[N@@H+](CCO)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001158533636 801662474 /nfs/dbraw/zinc/66/24/74/801662474.db2.gz CNBCWQWXKPNZGI-CYBMUJFWSA-N 2 2 280.372 0.257 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNc1ccc(N2CC[NH2+]CC2)cn1 ZINC001158707555 801688529 /nfs/dbraw/zinc/68/85/29/801688529.db2.gz PSWUZMBQRIQUJK-CQSZACIVSA-N 2 2 291.399 0.234 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNc1ccc(N2CC[NH2+]CC2)cn1 ZINC001158707555 801688534 /nfs/dbraw/zinc/68/85/34/801688534.db2.gz PSWUZMBQRIQUJK-CQSZACIVSA-N 2 2 291.399 0.234 20 0 CCADLP C[C@H]1C[C@H]2CN(C(=O)[C@H]([NH3+])Cc3c[nH+]c[nH]3)CC[C@H]2O1 ZINC001158855074 801713278 /nfs/dbraw/zinc/71/32/78/801713278.db2.gz BQDKZPYSIOOVHE-YRRQLQLVSA-N 2 2 278.356 0.305 20 0 CCADLP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)[C@H]1C[NH2+]CCO1 ZINC001159496042 801819752 /nfs/dbraw/zinc/81/97/52/801819752.db2.gz BGDADRHYAPPAIG-GXTWGEPZSA-N 3 2 291.399 0.280 20 0 CCADLP CCN(CC)c1cc(N[C@@H]([NH3+])CCC[NH3+])nc[nH+]1 ZINC001159786997 801871553 /nfs/dbraw/zinc/87/15/53/801871553.db2.gz PCDIPENKSPXDMC-SNVBAGLBSA-N 3 2 252.366 0.758 20 0 CCADLP Nc1cc[nH+]c(-c2cnn(CC[NH+]3CCOCC3)c2)c1 ZINC001240538967 806944729 /nfs/dbraw/zinc/94/47/29/806944729.db2.gz JQAJHLLUPXGOMQ-UHFFFAOYSA-N 2 2 273.340 0.860 20 0 CCADLP C[NH2+]Cc1ccc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)cc1 ZINC001160443285 801941613 /nfs/dbraw/zinc/94/16/13/801941613.db2.gz GIZHPGVWPRKBLA-CYBMUJFWSA-N 3 2 273.340 0.638 20 0 CCADLP CN(C)c1cc[nH+]c(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)c1 ZINC001160509897 801953725 /nfs/dbraw/zinc/95/37/25/801953725.db2.gz COHVOVXFFZBXFE-HNNXBMFYSA-N 3 2 275.400 0.983 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2CCCC23COC3)cc1 ZINC001160541987 801967335 /nfs/dbraw/zinc/96/73/35/801967335.db2.gz LTCXVBPNGGLCCD-CYBMUJFWSA-N 2 2 275.352 0.650 20 0 CCADLP CC(C)(C)[NH+]1CCN(C(=O)C[NH2+]C2CC[NH2+]CC2)CC1 ZINC001160578048 801974559 /nfs/dbraw/zinc/97/45/59/801974559.db2.gz SAMGMDYLCRRHMB-UHFFFAOYSA-N 3 2 282.432 0.271 20 0 CCADLP CN(C[C@@H]1CC1(C)C)C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160710980 802008071 /nfs/dbraw/zinc/00/80/71/802008071.db2.gz QJSMDIQRVRCTMN-COPLHBTASA-N 2 2 251.374 0.442 20 0 CCADLP [NH3+]C1(C(=O)N2CCOC[C@H]2c2cccnc2)CC[NH2+]CC1 ZINC001160951134 802051810 /nfs/dbraw/zinc/05/18/10/802051810.db2.gz JXOHRQLTLSIQQT-ZDUSSCGKSA-N 2 2 290.367 0.062 20 0 CCADLP CCN(C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1)C1C[NH+](C)C1 ZINC001161137462 802100113 /nfs/dbraw/zinc/10/01/13/802100113.db2.gz FHSLCXLAKALCSZ-CYBMUJFWSA-N 3 2 280.416 0.023 20 0 CCADLP CC1(C)OCCC12CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])CC2 ZINC001161240075 802115907 /nfs/dbraw/zinc/11/59/07/802115907.db2.gz VWBUNTNJEWQBAL-RYUDHWBXSA-N 2 2 281.400 0.341 20 0 CCADLP Cc1nnc(CNc2ccc(N3CC[NH2+]CC3)c[nH+]2)o1 ZINC001161712507 802207151 /nfs/dbraw/zinc/20/71/51/802207151.db2.gz VHODJRVZWOWBSZ-UHFFFAOYSA-N 2 2 274.328 0.795 20 0 CCADLP C[NH+]1CCN(c2cc(C3=CCC[N@H+](C)C3)ncn2)CC1 ZINC001241567289 806972277 /nfs/dbraw/zinc/97/22/77/806972277.db2.gz ULRHSVBSULFWHW-UHFFFAOYSA-N 2 2 273.384 0.947 20 0 CCADLP C[NH+]1CCN(c2cc(C3=CCC[N@@H+](C)C3)ncn2)CC1 ZINC001241567289 806972286 /nfs/dbraw/zinc/97/22/86/806972286.db2.gz ULRHSVBSULFWHW-UHFFFAOYSA-N 2 2 273.384 0.947 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC1=CC[N@H+](CCCO)CC1 ZINC001161989869 802263891 /nfs/dbraw/zinc/26/38/91/802263891.db2.gz SNNAOCANZYMPHP-UHFFFAOYSA-N 2 2 292.383 0.404 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC1=CC[N@@H+](CCCO)CC1 ZINC001161989869 802263895 /nfs/dbraw/zinc/26/38/95/802263895.db2.gz SNNAOCANZYMPHP-UHFFFAOYSA-N 2 2 292.383 0.404 20 0 CCADLP CN1CC(=O)Nc2ccc(NC[C@@H]3C[N@H+](C)CCO3)[nH+]c21 ZINC001162683778 802392314 /nfs/dbraw/zinc/39/23/14/802392314.db2.gz LWVCAAHFBGVYHL-SNVBAGLBSA-N 2 2 291.355 0.212 20 0 CCADLP CN1CC(=O)Nc2ccc(NC[C@@H]3C[N@@H+](C)CCO3)[nH+]c21 ZINC001162683778 802392324 /nfs/dbraw/zinc/39/23/24/802392324.db2.gz LWVCAAHFBGVYHL-SNVBAGLBSA-N 2 2 291.355 0.212 20 0 CCADLP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@@H]1COC[C@H]1[NH3+])C2 ZINC001255183470 808326649 /nfs/dbraw/zinc/32/66/49/808326649.db2.gz RDDQEMLSCGRYRI-UJPOAAIJSA-N 2 2 283.372 0.454 20 0 CCADLP CN(C)c1ccc(N[C@@H]2COCCC23C[NH2+]C3)[nH+]c1 ZINC001163078757 802474656 /nfs/dbraw/zinc/47/46/56/802474656.db2.gz FYGUQSFILJMXPB-GFCCVEGCSA-N 2 2 262.357 0.938 20 0 CCADLP c1cc2c([nH+]c1NC[C@@H]1CO[C@@H]3C[NH2+]C[C@H]13)CCOC2 ZINC001163102436 802482713 /nfs/dbraw/zinc/48/27/13/802482713.db2.gz SHTUQICVZVTHFY-YRGRVCCFSA-N 2 2 275.352 0.801 20 0 CCADLP c1nc(N2CCCC2)cc(NC[C@@]23C[NH2+][C@@H](CO2)C3)[nH+]1 ZINC001163193037 802503730 /nfs/dbraw/zinc/50/37/30/802503730.db2.gz KJSKMSOYIBQBKA-BXUZGUMPSA-N 2 2 275.356 0.620 20 0 CCADLP c1nc(NC[C@@]23C[NH2+][C@@H](CO2)C3)cc(N2CCCC2)[nH+]1 ZINC001163193037 802503733 /nfs/dbraw/zinc/50/37/33/802503733.db2.gz KJSKMSOYIBQBKA-BXUZGUMPSA-N 2 2 275.356 0.620 20 0 CCADLP Nc1cn2ccc(NC[C@@]34C[NH2+][C@@H](CO3)C4)cc2[nH+]1 ZINC001163196500 802505042 /nfs/dbraw/zinc/50/50/42/802505042.db2.gz FVJPZLRXHARWBK-MFKMUULPSA-N 2 2 259.313 0.459 20 0 CCADLP CN1CCOc2c1cn[nH+]c2N[C@H]1C[NH+]2CCC1CC2 ZINC001163386101 802550461 /nfs/dbraw/zinc/55/04/61/802550461.db2.gz MKALMVPTKGNZTA-NSHDSACASA-N 2 2 275.356 0.811 20 0 CCADLP C[C@@H]1CC[C@@H](O)CN1c1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001164121293 802669736 /nfs/dbraw/zinc/66/97/36/802669736.db2.gz LRHDZIZPXDZLNN-TZMCWYRMSA-N 2 2 276.384 0.841 20 0 CCADLP CN(C)c1cnc(NCC2([NH+](C)C)CC[NH+](C)CC2)cn1 ZINC001164212058 802688363 /nfs/dbraw/zinc/68/83/63/802688363.db2.gz WYWGJQUMJHVQMP-UHFFFAOYSA-N 2 2 292.431 0.981 20 0 CCADLP Cn1ccc(NCC2([NH+](C)C)CC[NH+](C)CC2)cc1=O ZINC001164211735 802688627 /nfs/dbraw/zinc/68/86/27/802688627.db2.gz RCYCQVBSIJGULN-UHFFFAOYSA-N 2 2 278.400 0.823 20 0 CCADLP CCn1nccc(NCC2([NH+](C)C)CC[NH+](C)CC2)c1=O ZINC001164216685 802689784 /nfs/dbraw/zinc/68/97/84/802689784.db2.gz HVFCTMZHUNUTKJ-UHFFFAOYSA-N 2 2 293.415 0.701 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Nc2cccc3c2C[NH2+]CC3)C[NH2+]1 ZINC001164308702 802716825 /nfs/dbraw/zinc/71/68/25/802716825.db2.gz PYECJEVBQVLRLU-FZMZJTMJSA-N 2 2 275.352 0.648 20 0 CCADLP C[C@H]1CC[C@@H](CO)N1c1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001164307777 802717347 /nfs/dbraw/zinc/71/73/47/802717347.db2.gz KWSFAFZFTJXFDP-JSGCOSHPSA-N 2 2 276.384 0.841 20 0 CCADLP Cc1nc(-n2cncn2)cc(N2C[C@@H]3C[C@]3(C[NH+](C)C)C2)[nH+]1 ZINC001165181789 802793210 /nfs/dbraw/zinc/79/32/10/802793210.db2.gz CKGQIHRACZIWOV-WFASDCNBSA-N 2 2 299.382 0.754 20 0 CCADLP Cc1nc(-n2cncn2)cc(N2CC[C@]3(C2)CCC[NH2+]C3)[nH+]1 ZINC001165243568 802803526 /nfs/dbraw/zinc/80/35/26/802803526.db2.gz OJIVCQKXXDJQBZ-OAHLLOKOSA-N 2 2 299.382 0.946 20 0 CCADLP COc1ccc(C)[nH+]c1N1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001165256156 802806542 /nfs/dbraw/zinc/80/65/42/802806542.db2.gz NCNAXQUEJLGGJE-UHFFFAOYSA-N 2 2 290.367 0.457 20 0 CCADLP CC(=O)Nc1c(C)cc[nH+]c1N1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001165274276 802810924 /nfs/dbraw/zinc/81/09/24/802810924.db2.gz LWJYWQRPLRCVSY-STQMWFEESA-N 2 2 290.367 0.916 20 0 CCADLP COC(=O)c1cnc(-n2c(C)[nH+]c3c2CC[NH2+]CC3)cn1 ZINC001165351735 802826018 /nfs/dbraw/zinc/82/60/18/802826018.db2.gz HHZOXGVSJYRXLX-UHFFFAOYSA-N 2 2 287.323 0.446 20 0 CCADLP CO[C@H](C)C[NH2+]CCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001166408266 802906226 /nfs/dbraw/zinc/90/62/26/802906226.db2.gz NGYACUXPOMMJQC-VXGBXAGGSA-N 2 2 294.399 0.960 20 0 CCADLP COC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001166968188 803000038 /nfs/dbraw/zinc/00/00/38/803000038.db2.gz NXDYLCSRJPPJAW-YNEHKIRRSA-N 2 2 294.399 0.654 20 0 CCADLP COCCC[NH2+]C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001203494380 803030147 /nfs/dbraw/zinc/03/01/47/803030147.db2.gz OICKNVXWZZJTIG-UHFFFAOYSA-N 2 2 294.399 0.878 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC001204244636 803073351 /nfs/dbraw/zinc/07/33/51/803073351.db2.gz OQLDNUCNHJIEIF-CYBMUJFWSA-N 2 2 265.357 0.922 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccoc2)C1 ZINC001204244636 803073360 /nfs/dbraw/zinc/07/33/60/803073360.db2.gz OQLDNUCNHJIEIF-CYBMUJFWSA-N 2 2 265.357 0.922 20 0 CCADLP CC[NH+](CC)CCN1CC[NH+](Cc2cnn(C)c2)CC1 ZINC001204969697 803111137 /nfs/dbraw/zinc/11/11/37/803111137.db2.gz BOMUDEIEFOEWMW-UHFFFAOYSA-N 2 2 279.432 0.880 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2cc3c(cn2)OCCO3)C1 ZINC001205680968 803154983 /nfs/dbraw/zinc/15/49/83/803154983.db2.gz CPCOHQKYFZWQPP-HNNXBMFYSA-N 2 2 293.367 0.529 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2cc3c(cn2)OCCO3)C1 ZINC001205680968 803154984 /nfs/dbraw/zinc/15/49/84/803154984.db2.gz CPCOHQKYFZWQPP-HNNXBMFYSA-N 2 2 293.367 0.529 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc3c(c2)OCCCO3)C[C@H]1O ZINC001205958448 803190123 /nfs/dbraw/zinc/19/01/23/803190123.db2.gz CQEVPYMIMZWZHE-CHWSQXEVSA-N 2 2 278.352 0.742 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3c(c2)OCCCO3)C[C@H]1O ZINC001205958448 803190130 /nfs/dbraw/zinc/19/01/30/803190130.db2.gz CQEVPYMIMZWZHE-CHWSQXEVSA-N 2 2 278.352 0.742 20 0 CCADLP [NH3+]C[C@]1(F)CCCCN(CC2=CS[C@H]([NH3+])N2)C1 ZINC001206334940 803230192 /nfs/dbraw/zinc/23/01/92/803230192.db2.gz BAUVMQFIUWZFAT-GHMZBOCLSA-N 2 2 260.382 0.559 20 0 CCADLP Cc1[nH+]cc(CN2CC([N@H+](C)[C@H]3CCOC3)C2)n1C ZINC001206794142 803287935 /nfs/dbraw/zinc/28/79/35/803287935.db2.gz KAHJKTHWGYYOIA-LBPRGKRZSA-N 2 2 264.373 0.633 20 0 CCADLP Cc1[nH+]cc(CN2CC([N@@H+](C)[C@H]3CCOC3)C2)n1C ZINC001206794142 803287939 /nfs/dbraw/zinc/28/79/39/803287939.db2.gz KAHJKTHWGYYOIA-LBPRGKRZSA-N 2 2 264.373 0.633 20 0 CCADLP CO[C@H](C)C[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001206971079 803320501 /nfs/dbraw/zinc/32/05/01/803320501.db2.gz YWRYXSHIWJCCHJ-CYBMUJFWSA-N 2 2 294.399 0.746 20 0 CCADLP C[NH+](C)CC(C)(C)C[N@@H+]1C[C@](O)(C(F)(F)F)C[C@H]1CO ZINC001207275800 803376251 /nfs/dbraw/zinc/37/62/51/803376251.db2.gz PULMNFZJQNWLGQ-JQWIXIFHSA-N 2 2 298.349 0.934 20 0 CCADLP C[NH+](C)CC(C)(C)C[N@H+]1C[C@](O)(C(F)(F)F)C[C@H]1CO ZINC001207275800 803376257 /nfs/dbraw/zinc/37/62/57/803376257.db2.gz PULMNFZJQNWLGQ-JQWIXIFHSA-N 2 2 298.349 0.934 20 0 CCADLP C(C[NH+]1CCOCC1)N1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC001207957037 803470823 /nfs/dbraw/zinc/47/08/23/803470823.db2.gz DQBPLBNEOWIHKA-MRXNPFEDSA-N 2 2 297.443 0.505 20 0 CCADLP C(C[NH+]1CCOCC1)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001209289974 803588191 /nfs/dbraw/zinc/58/81/91/803588191.db2.gz IZWSQKQOMFMBEU-UHFFFAOYSA-N 2 2 279.428 0.736 20 0 CCADLP C(C[NH+]1CCOCC1)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001209289974 803588194 /nfs/dbraw/zinc/58/81/94/803588194.db2.gz IZWSQKQOMFMBEU-UHFFFAOYSA-N 2 2 279.428 0.736 20 0 CCADLP C[N@H+](C1CC1)C1CCN(CC[NH+]2CCOCC2)CC1 ZINC001209293343 803590033 /nfs/dbraw/zinc/59/00/33/803590033.db2.gz MRHYYHJRIVBCDX-UHFFFAOYSA-N 2 2 267.417 0.877 20 0 CCADLP C[N@@H+](C1CC1)C1CCN(CC[NH+]2CCOCC2)CC1 ZINC001209293343 803590035 /nfs/dbraw/zinc/59/00/35/803590035.db2.gz MRHYYHJRIVBCDX-UHFFFAOYSA-N 2 2 267.417 0.877 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209837702 803631857 /nfs/dbraw/zinc/63/18/57/803631857.db2.gz RJMLFFLTQJLLPD-NEPJUHHUSA-N 2 2 280.372 0.568 20 0 CCADLP COCC[NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001276681243 803645080 /nfs/dbraw/zinc/64/50/80/803645080.db2.gz PHIZTCXCEOCDIQ-LLVKDONJSA-N 2 2 266.345 0.083 20 0 CCADLP CCOCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001211451866 803681990 /nfs/dbraw/zinc/68/19/90/803681990.db2.gz JHGCFQOSORSYRS-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP CCOCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001211451866 803681993 /nfs/dbraw/zinc/68/19/93/803681993.db2.gz JHGCFQOSORSYRS-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP Nc1cc[nH+]cc1CN1CC2(C1)C[NH+](Cc1cn[nH]c1)C2 ZINC001276713892 803756884 /nfs/dbraw/zinc/75/68/84/803756884.db2.gz TVQFOYYJFPWKRN-UHFFFAOYSA-N 2 2 284.367 0.535 20 0 CCADLP c1cn(CCN2CC3(C2)C[NH+](C[C@@H]2CCCOC2)C3)c[nH+]1 ZINC001276719279 803784500 /nfs/dbraw/zinc/78/45/00/803784500.db2.gz NJROMGSGDLQMHG-HNNXBMFYSA-N 2 2 290.411 0.927 20 0 CCADLP C[C@H]1CCC[N@@H+]1CCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000897517764 814966858 /nfs/dbraw/zinc/96/68/58/814966858.db2.gz CHXCNTJEFWRYAY-RYUDHWBXSA-N 2 2 277.372 0.591 20 0 CCADLP C[C@H]1CCC[N@H+]1CCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000897517764 814966860 /nfs/dbraw/zinc/96/68/60/814966860.db2.gz CHXCNTJEFWRYAY-RYUDHWBXSA-N 2 2 277.372 0.591 20 0 CCADLP COCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001215705845 803824545 /nfs/dbraw/zinc/82/45/45/803824545.db2.gz SWOWTNDZKCZEDV-MGPQQGTHSA-N 2 2 294.399 0.917 20 0 CCADLP N=c1c(N)c(Cl)ccn1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218567142 804011493 /nfs/dbraw/zinc/01/14/93/804011493.db2.gz NUGBHSCGXSUBAA-RWYTXXIDSA-N 2 2 281.747 0.065 20 0 CCADLP Cc1nc(Cl)ncc1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218586228 804022298 /nfs/dbraw/zinc/02/22/98/804022298.db2.gz KIKGQCGZCJSDMT-UHFFFAOYSA-N 2 2 283.763 0.719 20 0 CCADLP [NH3+]C1(C(=O)Nc2cc3ccccc3oc2=O)CC[NH2+]CC1 ZINC001218594411 804026615 /nfs/dbraw/zinc/02/66/15/804026615.db2.gz KFVLQTOAGGRJNN-UHFFFAOYSA-N 2 2 287.319 0.812 20 0 CCADLP CCOc1ncc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc1F ZINC001218602619 804030405 /nfs/dbraw/zinc/03/04/05/804030405.db2.gz FLKMXKAWBSSWTO-WPRPVWTQSA-N 2 2 268.292 0.105 20 0 CCADLP CCNc1ccnc(Cl)c1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218613389 804032875 /nfs/dbraw/zinc/03/28/75/804032875.db2.gz JUNSMDRKBMKBTM-APPZFPTMSA-N 2 2 283.763 0.795 20 0 CCADLP Nc1cnc(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)cn1 ZINC001218627423 804044422 /nfs/dbraw/zinc/04/44/22/804044422.db2.gz RDQHBFNOZLHGSW-JTQLQIEISA-N 2 2 272.312 0.270 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1cn[nH]c(=O)c1Cl ZINC001218631348 804047462 /nfs/dbraw/zinc/04/74/62/804047462.db2.gz HIUQZRYWDKXKOL-ZETCQYMHSA-N 2 2 296.718 0.078 20 0 CCADLP COC(=O)c1cc(NC(=O)C[NH2+]C2CC[NH2+]CC2)cn1C ZINC001218632355 804048022 /nfs/dbraw/zinc/04/80/22/804048022.db2.gz UYSKHPCOTJNOGY-UHFFFAOYSA-N 2 2 294.355 0.092 20 0 CCADLP CCc1nccnc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218645252 804056094 /nfs/dbraw/zinc/05/60/94/804056094.db2.gz DUBZAHWMBTXTKE-VIFPVBQESA-N 2 2 260.301 0.271 20 0 CCADLP CNc1ccc(NC(=O)C[NH2+]C2CC[NH2+]CC2)cn1 ZINC001218655621 804066300 /nfs/dbraw/zinc/06/63/00/804066300.db2.gz ZIQPOHBBIVOJMJ-UHFFFAOYSA-N 2 2 263.345 0.403 20 0 CCADLP COc1nc(Cl)ccc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218674308 804076671 /nfs/dbraw/zinc/07/66/71/804076671.db2.gz YKVYTHIEHQVUQY-QMMMGPOBSA-N 2 2 295.730 0.975 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cnnc3ccc(Cl)cc32)C1 ZINC001218699874 804085886 /nfs/dbraw/zinc/08/58/86/804085886.db2.gz ILDONRFYCOURQZ-KCJUWKMLSA-N 2 2 291.742 0.911 20 0 CCADLP COCn1cc(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)cn1 ZINC001218701168 804087928 /nfs/dbraw/zinc/08/79/28/804087928.db2.gz QSEOOBDIPXNKAK-ZDUSSCGKSA-N 2 2 289.339 0.698 20 0 CCADLP CC(=O)c1ncccc1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218704530 804090188 /nfs/dbraw/zinc/09/01/88/804090188.db2.gz WERCXUAWPHWFFO-UHFFFAOYSA-N 2 2 276.340 0.564 20 0 CCADLP O=C(Nc1cc([C@H]2CCC[NH2+]2)no1)[C@@H]1COCC[NH2+]1 ZINC001218713077 804094460 /nfs/dbraw/zinc/09/44/60/804094460.db2.gz QNJRFBQRWNRTFE-SCZZXKLOSA-N 2 2 266.301 0.026 20 0 CCADLP COc1cnc(Cl)c(NC(=O)C2([NH3+])CC[NH2+]CC2)n1 ZINC001218720405 804096836 /nfs/dbraw/zinc/09/68/36/804096836.db2.gz ILWIIWXKWAWBRX-UHFFFAOYSA-N 2 2 285.735 0.158 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1nc(Cl)cc2nc[nH]c21 ZINC001218745122 804105561 /nfs/dbraw/zinc/10/55/61/804105561.db2.gz GJLMSBZMALNYBI-WDSKDSINSA-N 2 2 280.719 0.097 20 0 CCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)Nc2ccnc(OC(F)(F)F)c2)C1 ZINC001218752829 804111313 /nfs/dbraw/zinc/11/13/13/804111313.db2.gz ACGCLDCJNJLQRD-XPUUQOCRSA-N 2 2 290.245 0.608 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC001218818009 804131043 /nfs/dbraw/zinc/13/10/43/804131043.db2.gz MLCYAFHDFFYZOY-LBPRGKRZSA-N 2 2 276.340 0.428 20 0 CCADLP O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1[NH2+]CC[C@@H]1O ZINC001218848239 804138640 /nfs/dbraw/zinc/13/86/40/804138640.db2.gz POKPUHGUMBLGFG-KBPBESRZSA-N 2 2 286.335 0.593 20 0 CCADLP O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001218847114 804139337 /nfs/dbraw/zinc/13/93/37/804139337.db2.gz BNKFQJLAKNLCHV-KBPBESRZSA-N 2 2 286.335 0.593 20 0 CCADLP Cn1cc2cccc(NC(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)c2n1 ZINC001218889591 804149435 /nfs/dbraw/zinc/14/94/35/804149435.db2.gz UJCZORHMWNOJTQ-HFAKWTLXSA-N 2 2 285.351 0.734 20 0 CCADLP Cc1cccc(N)c1NC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001218912669 804154838 /nfs/dbraw/zinc/15/48/38/804154838.db2.gz LSLMYBQIHQKISE-ZDUSSCGKSA-N 2 2 291.399 0.266 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccc(C3=NCCO3)cc2)C1 ZINC001218929001 804159381 /nfs/dbraw/zinc/15/93/81/804159381.db2.gz LBVVSBSLZGVPCD-PWSUYJOCSA-N 2 2 274.324 0.091 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccc(C3([NH3+])CCC3)cc2)C1 ZINC001218972834 804169102 /nfs/dbraw/zinc/16/91/02/804169102.db2.gz UIAKHQMOAXJUCT-YPMHNXCESA-N 3 2 274.368 0.652 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc(F)cc2cccnc21 ZINC001218970035 804169190 /nfs/dbraw/zinc/16/91/90/804169190.db2.gz LDVLQRABVBFCSO-QWRGUYRKSA-N 2 2 274.299 0.859 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1ccc2ncncc2c1 ZINC001219105779 804200846 /nfs/dbraw/zinc/20/08/46/804200846.db2.gz UNROETCLGGRMEF-UHFFFAOYSA-N 2 2 285.351 0.910 20 0 CCADLP CC[NH2+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000310973275 804222125 /nfs/dbraw/zinc/22/21/25/804222125.db2.gz CTGGPBKSYNHGDM-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cccc3c2C(=O)CCC3)C1 ZINC001219255472 804251009 /nfs/dbraw/zinc/25/10/09/804251009.db2.gz AWBKPJLHIMMOGA-PWSUYJOCSA-N 2 2 273.336 0.833 20 0 CCADLP COc1ccc2ccc(NC(=O)[C@@H]3C[C@H]([NH3+])C[NH2+]3)cc2n1 ZINC001219406825 804301439 /nfs/dbraw/zinc/30/14/39/804301439.db2.gz JIZWFENXNKIVPE-GWCFXTLKSA-N 2 2 286.335 0.871 20 0 CCADLP CC(C)OCCNC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001219559732 804350187 /nfs/dbraw/zinc/35/01/87/804350187.db2.gz IALUGBHPAOPTGD-CYBMUJFWSA-N 2 2 265.357 0.800 20 0 CCADLP C[C@H]([NH3+])c1ncc(C(=O)NCCn2cc[nH+]c2)s1 ZINC001219564078 804350870 /nfs/dbraw/zinc/35/08/70/804350870.db2.gz QOKIDQUMIPOYEO-QMMMGPOBSA-N 2 2 265.342 0.789 20 0 CCADLP CC(C)(C)OC(=O)CC[C@@H]([NH3+])C(=O)NCCn1cc[nH+]c1 ZINC001219564320 804352678 /nfs/dbraw/zinc/35/26/78/804352678.db2.gz YCPSIUGTBZOICW-LLVKDONJSA-N 2 2 296.371 0.449 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)[C@H]([NH3+])Cc2cccc(O)c2)c1 ZINC001219634502 804384481 /nfs/dbraw/zinc/38/44/81/804384481.db2.gz YPZRWGQNEDEHGR-CQSZACIVSA-N 2 2 288.351 0.354 20 0 CCADLP C[C@H]1C[NH2+]C[C@@H](CNC(=O)CN(C)c2cccc[nH+]2)C1 ZINC001219638944 804386107 /nfs/dbraw/zinc/38/61/07/804386107.db2.gz SEDUUNIIEMDXLW-OLZOCXBDSA-N 2 2 276.384 0.880 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@]2(C)CC(F)(F)C[NH2+]2)C1 ZINC001219641709 804386655 /nfs/dbraw/zinc/38/66/55/804386655.db2.gz KQUDYXZFFHEJQT-UMNHJUIQSA-N 2 2 275.343 0.736 20 0 CCADLP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2C[NH2+]CC(F)(F)C2)C1 ZINC001219642801 804387803 /nfs/dbraw/zinc/38/78/03/804387803.db2.gz XXUDJUVKGQUXNT-DCAQKATOSA-N 2 2 275.343 0.593 20 0 CCADLP CC(C)C[N@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001219768112 804418651 /nfs/dbraw/zinc/41/86/51/804418651.db2.gz DBZWZKOEJLJUGO-OLZOCXBDSA-N 2 2 280.372 0.160 20 0 CCADLP CC(C)C[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001219768112 804418654 /nfs/dbraw/zinc/41/86/54/804418654.db2.gz DBZWZKOEJLJUGO-OLZOCXBDSA-N 2 2 280.372 0.160 20 0 CCADLP CC(C)C[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001219768112 804418657 /nfs/dbraw/zinc/41/86/57/804418657.db2.gz DBZWZKOEJLJUGO-OLZOCXBDSA-N 2 2 280.372 0.160 20 0 CCADLP CC(C)C[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001219768112 804418661 /nfs/dbraw/zinc/41/86/61/804418661.db2.gz DBZWZKOEJLJUGO-OLZOCXBDSA-N 2 2 280.372 0.160 20 0 CCADLP CCCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001219774549 804421484 /nfs/dbraw/zinc/42/14/84/804421484.db2.gz RYJNSHCZLBECRW-OLZOCXBDSA-N 2 2 280.372 0.304 20 0 CCADLP CCCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001219774549 804421489 /nfs/dbraw/zinc/42/14/89/804421489.db2.gz RYJNSHCZLBECRW-OLZOCXBDSA-N 2 2 280.372 0.304 20 0 CCADLP CCCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001219774549 804421495 /nfs/dbraw/zinc/42/14/95/804421495.db2.gz RYJNSHCZLBECRW-OLZOCXBDSA-N 2 2 280.372 0.304 20 0 CCADLP CCCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001219774549 804421498 /nfs/dbraw/zinc/42/14/98/804421498.db2.gz RYJNSHCZLBECRW-OLZOCXBDSA-N 2 2 280.372 0.304 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1cc(F)c(F)c(F)c1 ZINC001219905820 804445221 /nfs/dbraw/zinc/44/52/21/804445221.db2.gz ADOHKAUEHMOVTH-XVKPBYJWSA-N 2 2 273.258 0.267 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1cc2cc(Cl)ccc2[nH]1 ZINC001219929745 804449881 /nfs/dbraw/zinc/44/98/81/804449881.db2.gz RCOKAYITFUXLNR-RYUDHWBXSA-N 2 2 292.770 0.984 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CCCCO2)cc1 ZINC001219978017 804462771 /nfs/dbraw/zinc/46/27/71/804462771.db2.gz ABVNMULMWIBEII-UONOGXRCSA-N 2 2 277.368 0.944 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCc1ccncc1F ZINC001220036524 804479951 /nfs/dbraw/zinc/47/99/51/804479951.db2.gz PKVAGELUQMBLLP-LBPRGKRZSA-N 2 2 277.303 0.140 20 0 CCADLP CCCOCCNC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220101534 804498722 /nfs/dbraw/zinc/49/87/22/804498722.db2.gz RUOGTSMETJUPAA-ZDUSSCGKSA-N 2 2 265.357 0.802 20 0 CCADLP CSCC[C@@H](NC(=O)C1([NH3+])CC[NH2+]CC1)C(C)(C)O ZINC001220145394 804512577 /nfs/dbraw/zinc/51/25/77/804512577.db2.gz ASNYUJODZJSDLH-SNVBAGLBSA-N 2 2 289.445 0.076 20 0 CCADLP C[C@@H]([NH3+])c1ncc(C(=O)N[C@H]2CCC[N@H+](C)C2)s1 ZINC001220159678 804521575 /nfs/dbraw/zinc/52/15/75/804521575.db2.gz QQYOGFOUDWPFSJ-BDAKNGLRSA-N 2 2 268.386 0.987 20 0 CCADLP C[C@@H]([NH3+])c1ncc(C(=O)N[C@H]2CCC[N@@H+](C)C2)s1 ZINC001220159678 804521578 /nfs/dbraw/zinc/52/15/78/804521578.db2.gz QQYOGFOUDWPFSJ-BDAKNGLRSA-N 2 2 268.386 0.987 20 0 CCADLP [NH3+]C1(C(=O)N[C@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001220161952 804523108 /nfs/dbraw/zinc/52/31/08/804523108.db2.gz GWVFNEFTYVZEPZ-GXTWGEPZSA-N 3 2 280.416 0.106 20 0 CCADLP Cc1[nH+]c[nH]c1CSCCNC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220257390 804553775 /nfs/dbraw/zinc/55/37/75/804553775.db2.gz XKAJRFNXMOEKLA-SNVBAGLBSA-N 3 2 285.417 0.134 20 0 CCADLP Cc1ccc([C@H](C)NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)nc1 ZINC001220266607 804555041 /nfs/dbraw/zinc/55/50/41/804555041.db2.gz SYIFNRWBDJDBDM-CMPLNLGQSA-N 2 2 273.340 0.860 20 0 CCADLP O=C(N[C@H]1CCCC(F)(F)C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220309390 804569160 /nfs/dbraw/zinc/56/91/60/804569160.db2.gz XTANZKNMRLCRHJ-XWLWVQCSSA-N 2 2 273.327 0.630 20 0 CCADLP C[C@@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])c1cc(F)cc(F)c1 ZINC001220377077 804587939 /nfs/dbraw/zinc/58/79/39/804587939.db2.gz JDVSMEQCOOCEAL-MKCWBWRRSA-N 2 2 269.295 0.689 20 0 CCADLP O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220469367 804612243 /nfs/dbraw/zinc/61/22/43/804612243.db2.gz VGBDCSBYWJMKFL-UJDVCPFMSA-N 2 2 289.354 0.749 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H](c1ccccc1F)C1CC1 ZINC001220594675 804634577 /nfs/dbraw/zinc/63/45/77/804634577.db2.gz NCCGNXFKAYERJF-FPMFFAJLSA-N 2 2 277.343 0.940 20 0 CCADLP C[C@@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)c1ncc(F)cn1 ZINC001220598717 804636356 /nfs/dbraw/zinc/63/63/56/804636356.db2.gz ATOWGODFJNTIGJ-KCJUWKMLSA-N 2 2 292.318 0.096 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CNc2ccccc2C1 ZINC001220598836 804636440 /nfs/dbraw/zinc/63/64/40/804636440.db2.gz FBSQDSRRNCZNGX-STQMWFEESA-N 2 2 285.351 0.433 20 0 CCADLP CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220660643 804644380 /nfs/dbraw/zinc/64/43/80/804644380.db2.gz JKGUFPDVDDHJNI-UTUOFQBUSA-N 2 2 294.355 0.128 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001220917414 804698307 /nfs/dbraw/zinc/69/83/07/804698307.db2.gz ZCRPRVIUJAEFSZ-KBPBESRZSA-N 3 2 282.432 0.433 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001220917414 804698308 /nfs/dbraw/zinc/69/83/08/804698308.db2.gz ZCRPRVIUJAEFSZ-KBPBESRZSA-N 3 2 282.432 0.433 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@H]2CC[N@H+](CC3CCCCC3)C2)C1 ZINC001220916794 804699337 /nfs/dbraw/zinc/69/93/37/804699337.db2.gz BEBAJJKSYHDPDN-ILXRZTDVSA-N 3 2 294.443 0.446 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@H]2CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001220916794 804699340 /nfs/dbraw/zinc/69/93/40/804699340.db2.gz BEBAJJKSYHDPDN-ILXRZTDVSA-N 3 2 294.443 0.446 20 0 CCADLP [NH3+]C1(C(=O)N[C@@H]2CCCc3nccnc32)CC[NH2+]CC1 ZINC001220950625 804704345 /nfs/dbraw/zinc/70/43/45/804704345.db2.gz AKNBTCPPOKEYHS-LLVKDONJSA-N 2 2 275.356 0.051 20 0 CCADLP O=C(NC[C@H]1CCc2ccccc21)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001221100507 804729685 /nfs/dbraw/zinc/72/96/85/804729685.db2.gz KXZROPIKLXNBKZ-BFJAYTPKSA-N 2 2 285.391 0.783 20 0 CCADLP O=C(NC[C@@H]1CCCC(F)(F)C1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001221162018 804737630 /nfs/dbraw/zinc/73/76/30/804737630.db2.gz JHCJEJKVDCMWBL-NOOOWODRSA-N 2 2 287.354 0.878 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H](c1ncccc1F)C1CC1 ZINC001221218928 804748569 /nfs/dbraw/zinc/74/85/69/804748569.db2.gz JGPKWIUEKHBGGI-ZMLRMANQSA-N 2 2 278.331 0.335 20 0 CCADLP O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)C1(F)C[NH2+]C1 ZINC001221245779 804755440 /nfs/dbraw/zinc/75/54/40/804755440.db2.gz CEEVMLYYAJYGOL-GFCCVEGCSA-N 2 2 255.337 0.336 20 0 CCADLP Cc1ncsc1CCNC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001221328375 804776952 /nfs/dbraw/zinc/77/69/52/804776952.db2.gz KMDFSIWADDADAZ-NSHDSACASA-N 2 2 293.396 0.414 20 0 CCADLP O=C(NCc1cncc2ccccc21)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221331637 804778224 /nfs/dbraw/zinc/77/82/24/804778224.db2.gz DZHBKLWTCCHHQW-PBHICJAKSA-N 2 2 296.374 0.803 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1cncc2ccccc21 ZINC001221332419 804780145 /nfs/dbraw/zinc/78/01/45/804780145.db2.gz JJDJHLKEORMOCF-KBPBESRZSA-N 2 2 270.336 0.398 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)cc1 ZINC001221338750 804781441 /nfs/dbraw/zinc/78/14/41/804781441.db2.gz BQNTXKSVIIJGPA-XQHKEYJVSA-N 2 2 261.325 0.020 20 0 CCADLP O=C(NCCOc1cc[nH+]cc1)[C@H]1CC[NH2+]C[C@@H]1F ZINC001221393922 804799124 /nfs/dbraw/zinc/79/91/24/804799124.db2.gz ROYRSYAZHGUFDK-RYUDHWBXSA-N 2 2 267.304 0.524 20 0 CCADLP O=C(C[C@H]1CCC[NH2+]C1)NCCOc1cc[nH+]cc1 ZINC001221394140 804799154 /nfs/dbraw/zinc/79/91/54/804799154.db2.gz WUUHHMDXGHUMSU-GFCCVEGCSA-N 2 2 263.341 0.966 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2ccc(-c3c[nH]cn3)cc2)C1 ZINC001221396453 804802877 /nfs/dbraw/zinc/80/28/77/804802877.db2.gz BQHMKASATJTQDV-OLZOCXBDSA-N 2 2 285.351 0.382 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001222092991 804865659 /nfs/dbraw/zinc/86/56/59/804865659.db2.gz ZMIGVACBFHDUNW-ZIAGYGMSSA-N 2 2 294.399 0.625 20 0 CCADLP Nc1nc(CN2CC[NH2+]C3(CC[NH2+]CC3)C2)cs1 ZINC001222095361 804869157 /nfs/dbraw/zinc/86/91/57/804869157.db2.gz QKZZMQZWWARFFI-UHFFFAOYSA-N 2 2 267.402 0.253 20 0 CCADLP c1[nH+]cn2c1cccc2C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222105263 804870395 /nfs/dbraw/zinc/87/03/95/804870395.db2.gz YESYUUCOUTYSGN-UHFFFAOYSA-N 3 2 285.395 0.862 20 0 CCADLP c1[nH+]cn2c1cccc2C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222105263 804870400 /nfs/dbraw/zinc/87/04/00/804870400.db2.gz YESYUUCOUTYSGN-UHFFFAOYSA-N 3 2 285.395 0.862 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]([NH2+]CCCF)C1 ZINC001222104368 804870831 /nfs/dbraw/zinc/87/08/31/804870831.db2.gz HZJGZBWKQBQNFO-LBPRGKRZSA-N 2 2 268.336 0.823 20 0 CCADLP O=c1[nH]cccc1CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492156 804905611 /nfs/dbraw/zinc/90/56/11/804905611.db2.gz PMALUYHFGNHZCR-STQMWFEESA-N 2 2 262.357 0.313 20 0 CCADLP C([C@@H]1CCCCO1)N1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492533 804906717 /nfs/dbraw/zinc/90/67/17/804906717.db2.gz ZQPGPNYLTRNSOR-IHRRRGAJSA-N 2 2 253.390 0.581 20 0 CCADLP C1=C(c2ccc(OCC[NH+]3CCOCC3)nc2)C[NH2+]C1 ZINC001243115496 807031525 /nfs/dbraw/zinc/03/15/25/807031525.db2.gz MSWNBPMJXRJBMD-UHFFFAOYSA-N 2 2 275.352 0.779 20 0 CCADLP COC[C@H](C)[NH+]1CCC(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001227715172 805383905 /nfs/dbraw/zinc/38/39/05/805383905.db2.gz PXPMELQHNNLZHY-LBPRGKRZSA-N 2 2 294.399 0.958 20 0 CCADLP COC[C@H](C)[NH+]1CCC(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001227715172 805383914 /nfs/dbraw/zinc/38/39/14/805383914.db2.gz PXPMELQHNNLZHY-LBPRGKRZSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCO ZINC001229046527 805500109 /nfs/dbraw/zinc/50/01/09/805500109.db2.gz PSHPOWHQBOGQAK-MRVWCRGKSA-N 2 2 294.399 0.598 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCO ZINC001229046527 805500114 /nfs/dbraw/zinc/50/01/14/805500114.db2.gz PSHPOWHQBOGQAK-MRVWCRGKSA-N 2 2 294.399 0.598 20 0 CCADLP C[C@H](O)CCC[NH+]1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001229356150 805525496 /nfs/dbraw/zinc/52/54/96/805525496.db2.gz YBQNTTXCHUZCTG-LBPRGKRZSA-N 2 2 294.399 0.694 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001042718938 815084967 /nfs/dbraw/zinc/08/49/67/815084967.db2.gz XQGBDBXKFIAMTR-ZIAGYGMSSA-N 2 2 295.427 0.650 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001042718938 815084974 /nfs/dbraw/zinc/08/49/74/815084974.db2.gz XQGBDBXKFIAMTR-ZIAGYGMSSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CC2CC2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000989611790 815085053 /nfs/dbraw/zinc/08/50/53/815085053.db2.gz IUGCQPYLXJPEKP-ZYHUDNBSSA-N 2 2 262.357 0.941 20 0 CCADLP COCC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001278417629 807097730 /nfs/dbraw/zinc/09/77/30/807097730.db2.gz VRESVGFCDDOCNS-CMPLNLGQSA-N 2 2 280.372 0.486 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CCC[NH2+]C1)COc1ccc(F)cc1 ZINC001246012353 807115567 /nfs/dbraw/zinc/11/55/67/807115567.db2.gz ZKBPJUJQHAMCRQ-CHWSQXEVSA-N 2 2 268.332 0.907 20 0 CCADLP CCCOC[C@@H](O)C[N@H+](CCCOC)[C@H]1CCC[NH2+]C1 ZINC001246047815 807133481 /nfs/dbraw/zinc/13/34/81/807133481.db2.gz XJUBMDBCQPKDAI-GJZGRUSLSA-N 2 2 288.432 0.864 20 0 CCADLP CCCOC[C@@H](O)C[N@@H+](CCCOC)[C@H]1CCC[NH2+]C1 ZINC001246047815 807133485 /nfs/dbraw/zinc/13/34/85/807133485.db2.gz XJUBMDBCQPKDAI-GJZGRUSLSA-N 2 2 288.432 0.864 20 0 CCADLP [NH3+]C[C@H]1CCC[N@@H+]1C[C@H](O)COCC(F)(F)C(F)F ZINC001246060777 807137792 /nfs/dbraw/zinc/13/77/92/807137792.db2.gz DJZPINLGEZDMFU-BDAKNGLRSA-N 2 2 288.285 0.687 20 0 CCADLP [NH3+]C[C@H]1CCC[N@H+]1C[C@H](O)COCC(F)(F)C(F)F ZINC001246060777 807137796 /nfs/dbraw/zinc/13/77/96/807137796.db2.gz DJZPINLGEZDMFU-BDAKNGLRSA-N 2 2 288.285 0.687 20 0 CCADLP C[C@H]1CC[C@H](N[C@H]2C[NH2+][C@H](C(=O)OC(C)(C)C)C2)C[NH2+]1 ZINC001246085682 807148141 /nfs/dbraw/zinc/14/81/41/807148141.db2.gz ROIUZQIRIOOLGE-RVMXOQNASA-N 2 2 283.416 0.789 20 0 CCADLP O=C1CC[C@H]2C[C@@H]([NH2+][C@H]3CC[NH2+]C[C@@H]3F)CCN12 ZINC001246112639 807157338 /nfs/dbraw/zinc/15/73/38/807157338.db2.gz QYHISPHLPDTCCR-BJDJZHNGSA-N 2 2 255.337 0.429 20 0 CCADLP C([NH2+][C@H]1C[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246140990 807163734 /nfs/dbraw/zinc/16/37/34/807163734.db2.gz HPWMOLIGWMLNMY-XGUBFFRZSA-N 4 2 278.444 0.448 20 0 CCADLP C([NH2+][C@@H]1C[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246140986 807164237 /nfs/dbraw/zinc/16/42/37/807164237.db2.gz HPWMOLIGWMLNMY-BARDWOONSA-N 4 2 278.444 0.448 20 0 CCADLP C[NH2+]CC[C@@H](C)[NH2+][C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246160881 807172009 /nfs/dbraw/zinc/17/20/09/807172009.db2.gz PTPKVVCISACJID-HZSPNIEDSA-N 3 2 255.406 0.875 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H](NC[C@@H]2CCCC[NH2+]2)C[NH2+]1 ZINC001246179319 807177464 /nfs/dbraw/zinc/17/74/64/807177464.db2.gz LIQKQIVUHVPACL-XQQFMLRXSA-N 2 2 283.416 0.790 20 0 CCADLP CCOC(=O)C(C)(C)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246194488 807182778 /nfs/dbraw/zinc/18/27/78/807182778.db2.gz HXFUSCOQRFYSBD-JTQLQIEISA-N 2 2 255.362 0.012 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2COCCC23OCCO3)CC[NH2+]1 ZINC001246219899 807191498 /nfs/dbraw/zinc/19/14/98/807191498.db2.gz AJTAUCCMAHWWCO-GRYCIOLGSA-N 2 2 256.346 0.249 20 0 CCADLP C[C@H]1C[C@H]([NH2+][C@@H](CCC(=O)OC(C)(C)C)C(N)=O)CC[NH2+]1 ZINC001246268390 807202445 /nfs/dbraw/zinc/20/24/45/807202445.db2.gz PKSYQVKTBIHHSM-TUAOUCFPSA-N 2 2 299.415 0.692 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H](NC[C@@H]([NH3+])c2ccccc2)C[NH2+]1 ZINC001246280015 807205240 /nfs/dbraw/zinc/20/52/40/807205240.db2.gz POJJPBGZJIQSAH-SQWLQELKSA-N 2 2 291.395 0.960 20 0 CCADLP CCOC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2C[NH2+]C[C@H]2CO)C1 ZINC001246296648 807212008 /nfs/dbraw/zinc/21/20/08/807212008.db2.gz BOUJYQBYXOTWOY-VOAKCMCISA-N 2 2 270.373 0.278 20 0 CCADLP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1[NH2+]C1CCC2(CC[NH2+]C2)CC1 ZINC001246299278 807212838 /nfs/dbraw/zinc/21/28/38/807212838.db2.gz IPLIRUNLFBKHJX-MYMJJRTCSA-N 3 2 295.427 0.649 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCc2c(F)cccc2C1 ZINC001246312495 807218611 /nfs/dbraw/zinc/21/86/11/807218611.db2.gz XXQREFFZSAYOGL-SLEUVZQESA-N 2 2 264.344 0.853 20 0 CCADLP COC(=O)CC1([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)CCOCC1 ZINC001246330659 807223978 /nfs/dbraw/zinc/22/39/78/807223978.db2.gz XHAUSJADGGLSLK-NEPJUHHUSA-N 2 2 270.373 0.829 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2N2CCOCC2)C[NH2+]1 ZINC001246338024 807226335 /nfs/dbraw/zinc/22/63/35/807226335.db2.gz WAIQBHBLWHKFFL-QPSCCSFWSA-N 2 2 267.417 0.970 20 0 CCADLP C[C@H]1CC[C@H]([NH2+][C@@H]2CCN(c3ncccn3)C2)C[NH2+]1 ZINC001246403151 807243419 /nfs/dbraw/zinc/24/34/19/807243419.db2.gz LLRYHGUTWQBKNU-RWMBFGLXSA-N 2 2 261.373 0.785 20 0 CCADLP COC(=O)[C@H](CCC[NH3+])[NH2+][C@H](C)Cc1ccncc1 ZINC001246402806 807243888 /nfs/dbraw/zinc/24/38/88/807243888.db2.gz YOBRIHQLHVWQGN-YPMHNXCESA-N 2 2 265.357 0.883 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N[C@@H]2CC23C[NH2+]C3)C[NH2+]1 ZINC001246446400 807252660 /nfs/dbraw/zinc/25/26/60/807252660.db2.gz SJCAOGPAIRGRMI-OUAUKWLOSA-N 2 2 267.373 0.010 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@H](NC[C@@]2(C)CCC[NH2+]2)C[NH2+]1 ZINC001246461299 807256221 /nfs/dbraw/zinc/25/62/21/807256221.db2.gz ANUCFNVSSXSMIP-SLEUVZQESA-N 2 2 283.416 0.790 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N[C@@H](C[NH3+])c2cccc(OC)c2)C[NH2+]1 ZINC001246513955 807271078 /nfs/dbraw/zinc/27/10/78/807271078.db2.gz YSZIYIKOJJMXHG-UBHSHLNASA-N 2 2 293.367 0.188 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@H+](C)C2CC[NH+](C)CC2)CN1 ZINC001246521172 807271921 /nfs/dbraw/zinc/27/19/21/807271921.db2.gz XQFLMPVYHYPKLG-STQMWFEESA-N 2 2 269.389 0.306 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@@H+](C)C2CC[NH+](C)CC2)CN1 ZINC001246521172 807271924 /nfs/dbraw/zinc/27/19/24/807271924.db2.gz XQFLMPVYHYPKLG-STQMWFEESA-N 2 2 269.389 0.306 20 0 CCADLP CCOC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2CC[NH2+][C@H](C)C2)cn1 ZINC001246524978 807273164 /nfs/dbraw/zinc/27/31/64/807273164.db2.gz QMKAMYFFRDHCDV-RTXFEEFZSA-N 2 2 280.372 0.629 20 0 CCADLP COC(=O)[C@H]([NH3+])Cc1cn([C@@H]2CC[C@H](C)[NH2+]C2)cn1 ZINC001246527461 807273754 /nfs/dbraw/zinc/27/37/54/807273754.db2.gz YOSJEHCYYHYDMV-MVWJERBFSA-N 2 2 266.345 0.239 20 0 CCADLP COC(=O)[C@@H]1CCC[C@@H]([N@@H+]2C[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246558874 807288260 /nfs/dbraw/zinc/28/82/60/807288260.db2.gz RNRIRWUWEQULNU-DDHJBXDOSA-N 2 2 256.346 0.112 20 0 CCADLP COC(=O)[C@@H]1CCC[C@@H]([N@H+]2C[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246558874 807288265 /nfs/dbraw/zinc/28/82/65/807288265.db2.gz RNRIRWUWEQULNU-DDHJBXDOSA-N 2 2 256.346 0.112 20 0 CCADLP CC(C)(C)[C@@H]1C[C@@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CC[NH2+]1 ZINC001246563153 807291158 /nfs/dbraw/zinc/29/11/58/807291158.db2.gz CGFMNCQDXFXEDK-LOWDOPEQSA-N 3 2 255.406 0.547 20 0 CCADLP CC(C)(C)[C@@H]1C[C@@H]([N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CC[NH2+]1 ZINC001246563153 807291164 /nfs/dbraw/zinc/29/11/64/807291164.db2.gz CGFMNCQDXFXEDK-LOWDOPEQSA-N 3 2 255.406 0.547 20 0 CCADLP CCCC[C@H]1C[C@H]([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246587964 807307673 /nfs/dbraw/zinc/30/76/73/807307673.db2.gz XCQZESRYACZONF-FQUUOJAGSA-N 3 2 255.406 0.549 20 0 CCADLP CCCC[C@H]1C[C@H]([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246587964 807307682 /nfs/dbraw/zinc/30/76/82/807307682.db2.gz XCQZESRYACZONF-FQUUOJAGSA-N 3 2 255.406 0.549 20 0 CCADLP CCOC(=O)[C@@H]1CC2(C[N@@H+]1[C@H](C)CC[NH2+]C)CC[NH2+]CC2 ZINC001246608796 807322708 /nfs/dbraw/zinc/32/27/08/807322708.db2.gz JVTBVAKDFAVTAL-KGLIPLIRSA-N 3 2 297.443 0.992 20 0 CCADLP CCOC(=O)[C@@H]1CC2(C[N@H+]1[C@H](C)CC[NH2+]C)CC[NH2+]CC2 ZINC001246608796 807322717 /nfs/dbraw/zinc/32/27/17/807322717.db2.gz JVTBVAKDFAVTAL-KGLIPLIRSA-N 3 2 297.443 0.992 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH+]2CCC3(CCCC[NH2+]3)CC2)CN1 ZINC001246615954 807323461 /nfs/dbraw/zinc/32/34/61/807323461.db2.gz YOQVRMWMGBZWLF-KBPBESRZSA-N 2 2 295.427 0.888 20 0 CCADLP C(C1CC1)[N@@H+]1CCC2(C[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246718610 807364512 /nfs/dbraw/zinc/36/45/12/807364512.db2.gz JFZWVXOCWIQBDL-HNNXBMFYSA-N 3 2 290.455 0.498 20 0 CCADLP C(C1CC1)[N@H+]1CCC2(C[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246718610 807364521 /nfs/dbraw/zinc/36/45/21/807364521.db2.gz JFZWVXOCWIQBDL-HNNXBMFYSA-N 3 2 290.455 0.498 20 0 CCADLP C[C@@H]1CC[C@@H]([NH+]2CCC(OCC(=O)NC3CC3)CC2)C[NH2+]1 ZINC001246845553 807403036 /nfs/dbraw/zinc/40/30/36/807403036.db2.gz OSRJSOLCSLWPMK-TZMCWYRMSA-N 2 2 295.427 0.887 20 0 CCADLP C[C@H]1CC[C@H]([NH+]2CCC3(CC2)CC(=O)NC(=O)C3)C[NH2+]1 ZINC001246848243 807404671 /nfs/dbraw/zinc/40/46/71/807404671.db2.gz XUKZLFVLBXDWMG-RYUDHWBXSA-N 2 2 279.384 0.646 20 0 CCADLP C[NH2+]Cc1cccc(N[C@@H]2C[NH2+][C@H](C(=O)OC)C2)c1 ZINC001246849589 807405506 /nfs/dbraw/zinc/40/55/06/807405506.db2.gz GVXAFNZMOSRBFL-STQMWFEESA-N 2 2 263.341 0.721 20 0 CCADLP COC(=O)[C@H]1C[C@H](N(CC(C)(C)C)C2CC[NH2+]CC2)C[NH2+]1 ZINC001246946436 807437116 /nfs/dbraw/zinc/43/71/16/807437116.db2.gz MUGSLVFJIMWFGJ-UONOGXRCSA-N 2 2 297.443 0.990 20 0 CCADLP C[C@H]1C[NH+](C2CN(C3CC[NH2+]CC3)C2)C[C@H](C)O1 ZINC001246985803 807447586 /nfs/dbraw/zinc/44/75/86/807447586.db2.gz DFSOKLJTDXGWCJ-RYUDHWBXSA-N 2 2 253.390 0.532 20 0 CCADLP CCc1cc(NC(=S)NCC[NH+](C)C)cc[nH+]1 ZINC001249829508 807570222 /nfs/dbraw/zinc/57/02/22/807570222.db2.gz FOEMYIPLPGWBAP-UHFFFAOYSA-N 2 2 252.387 0.914 20 0 CCADLP CCCC[N@H+](CC)CCNC[C@H](O)C[NH+]1CCOCC1 ZINC001251033256 807649035 /nfs/dbraw/zinc/64/90/35/807649035.db2.gz NBMSIZDRYWCJDP-HNNXBMFYSA-N 2 2 287.448 0.391 20 0 CCADLP CCCC[N@@H+](CC)CCNC[C@H](O)C[NH+]1CCOCC1 ZINC001251033256 807649037 /nfs/dbraw/zinc/64/90/37/807649037.db2.gz NBMSIZDRYWCJDP-HNNXBMFYSA-N 2 2 287.448 0.391 20 0 CCADLP [NH2+]=C(NC[C@@H](O)C[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC001251036021 807650270 /nfs/dbraw/zinc/65/02/70/807650270.db2.gz VZCJKWJRTCRNLE-LLVKDONJSA-N 2 2 299.321 0.573 20 0 CCADLP C[NH+]1CCC(CO)([NH2+]C[C@@H](O)c2ccccc2)CC1 ZINC001252014973 807760605 /nfs/dbraw/zinc/76/06/05/807760605.db2.gz LPBLMFSHBFJEII-CQSZACIVSA-N 2 2 264.369 0.766 20 0 CCADLP Cc1[nH]c2c([nH+]1)CC[NH+](C[C@H](O)COC(C)C)CC2 ZINC001252670550 807935277 /nfs/dbraw/zinc/93/52/77/807935277.db2.gz GUEGHZWNBOCTMT-LBPRGKRZSA-N 2 2 267.373 0.905 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@H](O)c1ccco1 ZINC001253175392 808017575 /nfs/dbraw/zinc/01/75/75/808017575.db2.gz JUEIXJQPRIZGEV-NEPJUHHUSA-N 2 2 256.346 0.605 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC001253190763 808025212 /nfs/dbraw/zinc/02/52/12/808025212.db2.gz RSEYTPDKTAKEHQ-HNNXBMFYSA-N 2 2 299.459 0.926 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001253193276 808025810 /nfs/dbraw/zinc/02/58/10/808025810.db2.gz FZYSQNSWLOZQOA-CQSZACIVSA-N 3 2 269.433 0.717 20 0 CCADLP Cc1noc([C@H]2CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)n1 ZINC001253394047 808056070 /nfs/dbraw/zinc/05/60/70/808056070.db2.gz DPUIWFDOQKSUKL-NWDGAFQWSA-N 2 2 282.388 0.916 20 0 CCADLP Cc1noc([C@H]2CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2)n1 ZINC001253394047 808056076 /nfs/dbraw/zinc/05/60/76/808056076.db2.gz DPUIWFDOQKSUKL-NWDGAFQWSA-N 2 2 282.388 0.916 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C1CN(c2cnccn2)C1 ZINC001253408130 808061249 /nfs/dbraw/zinc/06/12/49/808061249.db2.gz URUZHWFTXFBOOE-LBPRGKRZSA-N 2 2 279.388 0.004 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)cn1 ZINC001253412294 808064339 /nfs/dbraw/zinc/06/43/39/808064339.db2.gz FBHOQNISBPJYFJ-LBPRGKRZSA-N 2 2 295.383 0.707 20 0 CCADLP CCOC(=O)C[NH+]1CCC(N2CC[NH+]3CCC2CC3)CC1 ZINC001254412242 808236332 /nfs/dbraw/zinc/23/63/32/808236332.db2.gz YQVGXLUXBIZOFP-UHFFFAOYSA-N 2 2 295.427 0.794 20 0 CCADLP CCOC(=O)CN1CC[NH+]([C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254516227 808250424 /nfs/dbraw/zinc/25/04/24/808250424.db2.gz KSWHAUPAARHGKK-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP CCOC(=O)CN1CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254516227 808250428 /nfs/dbraw/zinc/25/04/28/808250428.db2.gz KSWHAUPAARHGKK-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H](CC(=O)OC(C)(C)C)C(N)=O)CC1 ZINC001254511728 808251112 /nfs/dbraw/zinc/25/11/12/808251112.db2.gz DMSAYAOGPWVSGV-RYUDHWBXSA-N 2 2 299.415 0.646 20 0 CCADLP C[N@H+]1CCC[C@H]([NH2+][C@@H](CC(=O)OC(C)(C)C)C(N)=O)CC1 ZINC001254511728 808251118 /nfs/dbraw/zinc/25/11/18/808251118.db2.gz DMSAYAOGPWVSGV-RYUDHWBXSA-N 2 2 299.415 0.646 20 0 CCADLP CC(=O)NC[C@H](C)C[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254842576 808285575 /nfs/dbraw/zinc/28/55/75/808285575.db2.gz FIPOHWMYDNGAEQ-SMDDNHRTSA-N 2 2 253.390 0.833 20 0 CCADLP O=C1C[C@@H]([NH2+][C@H]2CC3CC[NH+](CC3)C2)CCCN1 ZINC001254850005 808286375 /nfs/dbraw/zinc/28/63/75/808286375.db2.gz CIXUZQWRUMFMGP-STQMWFEESA-N 2 2 251.374 0.729 20 0 CCADLP CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254849684 808287155 /nfs/dbraw/zinc/28/71/55/808287155.db2.gz WIRPOGKPBNGGEU-MGPQQGTHSA-N 2 2 251.374 0.727 20 0 CCADLP O=C1NCC[C@]12CC[N@@H+]([C@@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254855608 808289138 /nfs/dbraw/zinc/28/91/38/808289138.db2.gz PDCCFVQLWXICPZ-UKRRQHHQSA-N 2 2 263.385 0.683 20 0 CCADLP O=C1NCC[C@]12CC[N@H+]([C@@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254855608 808289141 /nfs/dbraw/zinc/28/91/41/808289141.db2.gz PDCCFVQLWXICPZ-UKRRQHHQSA-N 2 2 263.385 0.683 20 0 CCADLP O=C1NC(=O)C2(CC[NH+]([C@H]3CC4CC[NH+](CC4)C3)CC2)N1 ZINC001254865102 808292506 /nfs/dbraw/zinc/29/25/06/808292506.db2.gz XDRYDFQBSIJQLS-LBPRGKRZSA-N 2 2 292.383 0.145 20 0 CCADLP COc1cc(N2CCN([C@H]3CC[N@H+](C)C3)CC2)cc[nH+]1 ZINC001255442615 808374288 /nfs/dbraw/zinc/37/42/88/808374288.db2.gz ZGXZBJVLCJYDDW-AWEZNQCLSA-N 2 2 276.384 0.916 20 0 CCADLP COc1cc(N2CCN([C@H]3CC[N@@H+](C)C3)CC2)cc[nH+]1 ZINC001255442615 808374296 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C[NH+]1CCC([N@@H+]2CCC[C@]3(CNC(=O)O3)C2)CC1 ZINC001256209530 808482078 /nfs/dbraw/zinc/48/20/78/808482078.db2.gz XZUOGVRTIQEXQH-ZDUSSCGKSA-N 2 2 253.346 0.655 20 0 CCADLP C[NH+]1CCC([N@H+]2CCC[C@]3(CNC(=O)O3)C2)CC1 ZINC001256209530 808482080 /nfs/dbraw/zinc/48/20/80/808482080.db2.gz XZUOGVRTIQEXQH-ZDUSSCGKSA-N 2 2 253.346 0.655 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)C(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC001256531172 808532496 /nfs/dbraw/zinc/53/24/96/808532496.db2.gz QVGYWFMWCMNCKB-VHDGCEQUSA-N 2 2 291.395 0.475 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)C(N)=O)CC[N@H+]1Cc1ccccc1 ZINC001256531172 808532499 /nfs/dbraw/zinc/53/24/99/808532499.db2.gz QVGYWFMWCMNCKB-VHDGCEQUSA-N 2 2 291.395 0.475 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]([NH3+])C2)C[C@H]1C(=O)OC ZINC001257722632 808630905 /nfs/dbraw/zinc/63/09/05/808630905.db2.gz OLUOVDUOEOUUFN-WUHRBBMRSA-N 2 2 298.383 0.540 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@H+]2CCC[C@H]([NH3+])C2)C[C@H]1C(=O)OC ZINC001257722632 808630909 /nfs/dbraw/zinc/63/09/09/808630909.db2.gz OLUOVDUOEOUUFN-WUHRBBMRSA-N 2 2 298.383 0.540 20 0 CCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)[C@H](C)n1cc[nH+]c1 ZINC001262009247 809153208 /nfs/dbraw/zinc/15/32/08/809153208.db2.gz PDPHLTCEQRMSQJ-NWDGAFQWSA-N 2 2 250.346 0.901 20 0 CCADLP C[N@H+](CC[C@@H]1CCOC1)CC(=O)N1CC[NH+](C)CC1 ZINC001262017747 809157139 /nfs/dbraw/zinc/15/71/39/809157139.db2.gz KYYCXKBOXQEFBH-CYBMUJFWSA-N 2 2 269.389 0.119 20 0 CCADLP C[N@@H+](CC[C@@H]1CCOC1)CC(=O)N1CC[NH+](C)CC1 ZINC001262017747 809157142 /nfs/dbraw/zinc/15/71/42/809157142.db2.gz KYYCXKBOXQEFBH-CYBMUJFWSA-N 2 2 269.389 0.119 20 0 CCADLP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1cc(N)ccn1 ZINC001262201753 809240138 /nfs/dbraw/zinc/24/01/38/809240138.db2.gz DRCHZZTUABGSQI-TVYUQYBPSA-N 2 2 250.346 0.506 20 0 CCADLP CC(C)(C(=O)N1CCCO[C@H](C[NH3+])C1)c1c[nH+]c[nH]1 ZINC001263128661 809454212 /nfs/dbraw/zinc/45/42/12/809454212.db2.gz QWRPZFSBJXHYEO-SNVBAGLBSA-N 2 2 266.345 0.264 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1C[C@H]([NH2+]CCCF)C1 ZINC001264433776 809657700 /nfs/dbraw/zinc/65/77/00/809657700.db2.gz OKYUOFDPKJOMAQ-XYPYZODXSA-N 2 2 268.336 0.796 20 0 CCADLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(=O)N1CCCC1 ZINC000389001926 809670570 /nfs/dbraw/zinc/67/05/70/809670570.db2.gz FRLUEKOYWPWLIK-AAEUAGOBSA-N 2 2 269.389 0.042 20 0 CCADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(=O)N1CCCC1 ZINC000389001926 809670575 /nfs/dbraw/zinc/67/05/75/809670575.db2.gz FRLUEKOYWPWLIK-AAEUAGOBSA-N 2 2 269.389 0.042 20 0 CCADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C(=O)N1CCCC1 ZINC000389001933 809671182 /nfs/dbraw/zinc/67/11/82/809671182.db2.gz FRLUEKOYWPWLIK-WCQYABFASA-N 2 2 269.389 0.042 20 0 CCADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C(=O)N1CCCC1 ZINC000389001933 809671186 /nfs/dbraw/zinc/67/11/86/809671186.db2.gz FRLUEKOYWPWLIK-WCQYABFASA-N 2 2 269.389 0.042 20 0 CCADLP CCC[N@@H+]1CC[C@@H]([NH2+]C2CCN(C(N)=O)CC2)C1 ZINC000389315269 809675983 /nfs/dbraw/zinc/67/59/83/809675983.db2.gz FQHGGSXKJWXRHQ-GFCCVEGCSA-N 2 2 254.378 0.603 20 0 CCADLP CCC[N@H+]1CC[C@@H]([NH2+]C2CCN(C(N)=O)CC2)C1 ZINC000389315269 809675986 /nfs/dbraw/zinc/67/59/86/809675986.db2.gz FQHGGSXKJWXRHQ-GFCCVEGCSA-N 2 2 254.378 0.603 20 0 CCADLP CC[N@H+](CCO)CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001265119623 809711048 /nfs/dbraw/zinc/71/10/48/809711048.db2.gz LBRDWQHXBBXHEV-ZDUSSCGKSA-N 2 2 294.399 0.266 20 0 CCADLP CC[N@@H+](CCO)CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001265119623 809711054 /nfs/dbraw/zinc/71/10/54/809711054.db2.gz LBRDWQHXBBXHEV-ZDUSSCGKSA-N 2 2 294.399 0.266 20 0 CCADLP CC[N@H+](CCO)CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001265120029 809711741 /nfs/dbraw/zinc/71/17/41/809711741.db2.gz XWECPBJNVXQFSY-CYBMUJFWSA-N 2 2 294.399 0.266 20 0 CCADLP CC[N@@H+](CCO)CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001265120029 809711748 /nfs/dbraw/zinc/71/17/48/809711748.db2.gz XWECPBJNVXQFSY-CYBMUJFWSA-N 2 2 294.399 0.266 20 0 CCADLP COCCCC[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001267309364 811131744 /nfs/dbraw/zinc/13/17/44/811131744.db2.gz LRGMUPKTCOZKGW-CQSZACIVSA-N 2 2 294.399 0.748 20 0 CCADLP COCCCC[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001267309364 811131751 /nfs/dbraw/zinc/13/17/51/811131751.db2.gz LRGMUPKTCOZKGW-CQSZACIVSA-N 2 2 294.399 0.748 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+](C)C1(CN)CCOCC1 ZINC000725058257 811223478 /nfs/dbraw/zinc/22/34/78/811223478.db2.gz GRVXQFUIRFWEBY-UHFFFAOYSA-N 2 2 266.389 0.792 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+](C)C1(CN)CCOCC1 ZINC000725058257 811223485 /nfs/dbraw/zinc/22/34/85/811223485.db2.gz GRVXQFUIRFWEBY-UHFFFAOYSA-N 2 2 266.389 0.792 20 0 CCADLP CN(CC[NH2+]C[C@@H]1CCCCO1)C(=O)Cc1c[nH+]c[nH]1 ZINC001267435359 811302665 /nfs/dbraw/zinc/30/26/65/811302665.db2.gz VMMNHTOQPCAYDS-ZDUSSCGKSA-N 2 2 280.372 0.569 20 0 CCADLP CN(CC[NH2+]CC1CCC1)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001267440990 811305859 /nfs/dbraw/zinc/30/58/59/811305859.db2.gz HIEKSMNLFNJMSH-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP C[C@@H]1C[C@@H](C[NH2+]CCN(C)C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001267445851 811311446 /nfs/dbraw/zinc/31/14/46/811311446.db2.gz IRJBGMMLPRGHCI-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP Cc1noc(C[NH2+]CCN(C)C(=O)C[N@@H+](C)C(C)C)n1 ZINC001267473128 811356063 /nfs/dbraw/zinc/35/60/63/811356063.db2.gz BARQBBBCEDUQIG-UHFFFAOYSA-N 2 2 283.376 0.266 20 0 CCADLP Cc1noc(C[NH2+]CCN(C)C(=O)C[N@H+](C)C(C)C)n1 ZINC001267473128 811356077 /nfs/dbraw/zinc/35/60/77/811356077.db2.gz BARQBBBCEDUQIG-UHFFFAOYSA-N 2 2 283.376 0.266 20 0 CCADLP O=S1(=O)CCCC[C@@H]1C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000694523822 811468782 /nfs/dbraw/zinc/46/87/82/811468782.db2.gz NCCNEUFRYCYTIW-GMDXDWKASA-N 2 2 284.425 0.540 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC2CCC(C(F)(F)F)CC2)C1 ZINC001219982230 811708693 /nfs/dbraw/zinc/70/86/93/811708693.db2.gz AAWPAHSCUAVRAB-RGWUEKKESA-N 2 2 279.306 0.913 20 0 CCADLP CCC[NH2+]C1CC(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001100874619 812092929 /nfs/dbraw/zinc/09/29/29/812092929.db2.gz OUNKZHPOTWSSPH-UHFFFAOYSA-N 2 2 264.373 0.857 20 0 CCADLP CCN1CCC[C@H]([NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)C1=O ZINC000722352788 812141075 /nfs/dbraw/zinc/14/10/75/812141075.db2.gz LDIZQZWBQBTWLW-UPJWGTAASA-N 2 2 269.389 0.354 20 0 CCADLP O=C(NC[C@@H]1CCC[N@H+]1CCO)[C@H]1CCn2c[nH+]cc2C1 ZINC001027977784 812187572 /nfs/dbraw/zinc/18/75/72/812187572.db2.gz YHTYVOWAKOOUOW-STQMWFEESA-N 2 2 292.383 0.018 20 0 CCADLP O=C(NC[C@@H]1CCC[N@@H+]1CCO)[C@H]1CCn2c[nH+]cc2C1 ZINC001027977784 812187576 /nfs/dbraw/zinc/18/75/76/812187576.db2.gz YHTYVOWAKOOUOW-STQMWFEESA-N 2 2 292.383 0.018 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C1(O)CCC1 ZINC000905103879 815509665 /nfs/dbraw/zinc/50/96/65/815509665.db2.gz ZZDRPMPWBBSASG-OLZOCXBDSA-N 2 2 254.374 0.336 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C1(O)CCC1 ZINC000905103879 815509669 /nfs/dbraw/zinc/50/96/69/815509669.db2.gz ZZDRPMPWBBSASG-OLZOCXBDSA-N 2 2 254.374 0.336 20 0 CCADLP CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001268150177 812308396 /nfs/dbraw/zinc/30/83/96/812308396.db2.gz KQMRSBIMWPFWAK-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268150177 812308402 /nfs/dbraw/zinc/30/84/02/812308402.db2.gz KQMRSBIMWPFWAK-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP CO[C@H](C)C[N@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001268259224 812427222 /nfs/dbraw/zinc/42/72/22/812427222.db2.gz KNWRNZLINMDDAN-GFCCVEGCSA-N 2 2 268.361 0.308 20 0 CCADLP CO[C@H](C)C[N@@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001268259224 812427226 /nfs/dbraw/zinc/42/72/26/812427226.db2.gz KNWRNZLINMDDAN-GFCCVEGCSA-N 2 2 268.361 0.308 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC1(C[NH2+]C[C@H](C)O)CC1 ZINC001167900322 812473995 /nfs/dbraw/zinc/47/39/95/812473995.db2.gz HEJWMUUDDXTQAU-NSHDSACASA-N 2 2 294.399 0.518 20 0 CCADLP Cc1ncc(C[NH2+]CC[C@H](C)NC(=O)Cn2cc[nH+]c2)o1 ZINC001268429962 812562356 /nfs/dbraw/zinc/56/23/56/812562356.db2.gz GWZGBNJJXSFXTG-NSHDSACASA-N 2 2 291.355 0.864 20 0 CCADLP CCN(CC[NH2+]CCCO)C(=O)c1cccc2[nH+]ccn21 ZINC001268464933 812608754 /nfs/dbraw/zinc/60/87/54/812608754.db2.gz QBLWHRYEZPUABR-UHFFFAOYSA-N 2 2 290.367 0.768 20 0 CCADLP CN(C)c1ccccc1-c1noc([C@H]2C[NH2+]C[C@@H]2[NH3+])n1 ZINC001211755608 812670987 /nfs/dbraw/zinc/67/09/87/812670987.db2.gz VNDXQFMQRJPPCD-QWRGUYRKSA-N 2 2 273.340 0.817 20 0 CCADLP C[C@H](O)C[NH2+]CC=CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001268554204 812793348 /nfs/dbraw/zinc/79/33/48/812793348.db2.gz ARMGBHTTZAMTMX-QUCGXOGASA-N 2 2 288.351 0.819 20 0 CCADLP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](O)C1 ZINC001083373302 812916590 /nfs/dbraw/zinc/91/65/90/812916590.db2.gz YSVDQYOSIKDKGQ-MCIONIFRSA-N 2 2 281.400 0.208 20 0 CCADLP O=C(NC[C@@H]1CC[N@@H+](CCCO)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001028607021 812967515 /nfs/dbraw/zinc/96/75/15/812967515.db2.gz HETQIVDDKOESMW-YNEHKIRRSA-N 2 2 292.383 0.334 20 0 CCADLP O=C(NC[C@@H]1CC[N@H+](CCCO)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001028607021 812967519 /nfs/dbraw/zinc/96/75/19/812967519.db2.gz HETQIVDDKOESMW-YNEHKIRRSA-N 2 2 292.383 0.334 20 0 CCADLP O=C(NC[C@@H]1CC[N@@H+](CCCO)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001028607021 812967523 /nfs/dbraw/zinc/96/75/23/812967523.db2.gz HETQIVDDKOESMW-YNEHKIRRSA-N 2 2 292.383 0.334 20 0 CCADLP O=C(NC[C@@H]1CC[N@H+](CCCO)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001028607021 812967527 /nfs/dbraw/zinc/96/75/27/812967527.db2.gz HETQIVDDKOESMW-YNEHKIRRSA-N 2 2 292.383 0.334 20 0 CCADLP C[C@H](C[NH2+]CCC[C@@H]1CCOC1)NC(=O)Cn1cc[nH+]c1 ZINC001268676493 812997158 /nfs/dbraw/zinc/99/71/58/812997158.db2.gz RSGGXLLAUZWLOQ-ZIAGYGMSSA-N 2 2 294.399 0.794 20 0 CCADLP CO[C@H](C)C[NH2+]CCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001268914465 813145073 /nfs/dbraw/zinc/14/50/73/813145073.db2.gz BEXZFTFDKQEPHH-GFCCVEGCSA-N 2 2 282.388 0.436 20 0 CCADLP Cc1ncc(C[NH2+]CCCN(C)C(=O)Cn2cc[nH+]c2)o1 ZINC001268964132 813159975 /nfs/dbraw/zinc/15/99/75/813159975.db2.gz HIEHFHWUXHVMEH-UHFFFAOYSA-N 2 2 291.355 0.818 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]CCC[C@@H](C)O)CC1 ZINC001269526221 813401174 /nfs/dbraw/zinc/40/11/74/813401174.db2.gz BAIDRKDXUIVHEO-LLVKDONJSA-N 2 2 294.399 0.660 20 0 CCADLP COCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001269763930 813497223 /nfs/dbraw/zinc/49/72/23/813497223.db2.gz IWUNCGGAVAMNQD-ZDUSSCGKSA-N 2 2 269.389 0.260 20 0 CCADLP COCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001269763930 813497227 /nfs/dbraw/zinc/49/72/27/813497227.db2.gz IWUNCGGAVAMNQD-ZDUSSCGKSA-N 2 2 269.389 0.260 20 0 CCADLP CCOCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001269763595 813497386 /nfs/dbraw/zinc/49/73/86/813497386.db2.gz BKDPPFBFICHFJD-AWEZNQCLSA-N 2 2 283.416 0.650 20 0 CCADLP CCOCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001269763595 813497389 /nfs/dbraw/zinc/49/73/89/813497389.db2.gz BKDPPFBFICHFJD-AWEZNQCLSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cnn(C)n1 ZINC000924995247 813573512 /nfs/dbraw/zinc/57/35/12/813573512.db2.gz YSSRJGCUMJFPRK-RYUDHWBXSA-N 2 2 266.393 0.102 20 0 CCADLP CO[C@@H](C)C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126436986 813584278 /nfs/dbraw/zinc/58/42/78/813584278.db2.gz QGPCVOODKZYHTA-JTQLQIEISA-N 2 2 254.334 0.083 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]CCC[C@@H]1CCOC1 ZINC001126442501 813597659 /nfs/dbraw/zinc/59/76/59/813597659.db2.gz OLILLYBYNZBIFL-CYBMUJFWSA-N 2 2 294.399 0.865 20 0 CCADLP C[NH+]1CCCC[C@H]1C(=O)N1[C@H]2COC[C@@H]1C[N@H+](C)C2 ZINC001270617748 813840199 /nfs/dbraw/zinc/84/01/99/813840199.db2.gz NIOOJZCHRULDGK-XQQFMLRXSA-N 2 2 267.373 0.012 20 0 CCADLP C[NH+]1CCCC[C@H]1C(=O)N1[C@H]2COC[C@@H]1C[N@@H+](C)C2 ZINC001270617748 813840203 /nfs/dbraw/zinc/84/02/03/813840203.db2.gz NIOOJZCHRULDGK-XQQFMLRXSA-N 2 2 267.373 0.012 20 0 CCADLP C[NH+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001270617748 813840214 /nfs/dbraw/zinc/84/02/14/813840214.db2.gz NIOOJZCHRULDGK-XQQFMLRXSA-N 2 2 267.373 0.012 20 0 CCADLP C[NH+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C ZINC001270617748 813840225 /nfs/dbraw/zinc/84/02/25/813840225.db2.gz NIOOJZCHRULDGK-XQQFMLRXSA-N 2 2 267.373 0.012 20 0 CCADLP CC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](Cc3cn[nH]c3)C[C@H]21 ZINC001271082123 814143763 /nfs/dbraw/zinc/14/37/63/814143763.db2.gz ZTEJMNIIPCPZET-UONOGXRCSA-N 2 2 291.399 0.394 20 0 CCADLP CC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](Cc3cn[nH]c3)C[C@H]21 ZINC001271082123 814143765 /nfs/dbraw/zinc/14/37/65/814143765.db2.gz ZTEJMNIIPCPZET-UONOGXRCSA-N 2 2 291.399 0.394 20 0 CCADLP CC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](Cc3cn[nH]c3)C[C@H]21 ZINC001271082123 814143768 /nfs/dbraw/zinc/14/37/68/814143768.db2.gz ZTEJMNIIPCPZET-UONOGXRCSA-N 2 2 291.399 0.394 20 0 CCADLP CC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](Cc3cn[nH]c3)C[C@H]21 ZINC001271082123 814143771 /nfs/dbraw/zinc/14/37/71/814143771.db2.gz ZTEJMNIIPCPZET-UONOGXRCSA-N 2 2 291.399 0.394 20 0 CCADLP CC[N@@H+](C)CC(=O)N1C[C@@H]2OCC[NH+](C3CCCC3)[C@H]2C1 ZINC001271085225 814144751 /nfs/dbraw/zinc/14/47/51/814144751.db2.gz WKNRKZKWQJOCGW-GJZGRUSLSA-N 2 2 295.427 0.792 20 0 CCADLP CC[NH+](C)CC(=O)N1C[C@@H]2OCC[N@H+](C3CCCC3)[C@H]2C1 ZINC001271085225 814144757 /nfs/dbraw/zinc/14/47/57/814144757.db2.gz WKNRKZKWQJOCGW-GJZGRUSLSA-N 2 2 295.427 0.792 20 0 CCADLP CC[NH+](C)CC(=O)N1C[C@@H]2OCC[N@@H+](C3CCCC3)[C@H]2C1 ZINC001271085225 814144767 /nfs/dbraw/zinc/14/47/67/814144767.db2.gz WKNRKZKWQJOCGW-GJZGRUSLSA-N 2 2 295.427 0.792 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001029403275 814168445 /nfs/dbraw/zinc/16/84/45/814168445.db2.gz JATROOWDSMYEPU-BETUJISGSA-N 2 2 292.383 0.020 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001029403275 814168448 /nfs/dbraw/zinc/16/84/48/814168448.db2.gz JATROOWDSMYEPU-BETUJISGSA-N 2 2 292.383 0.020 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[N@@H+]1CCCO ZINC001087810864 814218941 /nfs/dbraw/zinc/21/89/41/814218941.db2.gz PNSSTTVWRVHADM-GXTWGEPZSA-N 2 2 294.399 0.612 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[N@H+]1CCCO ZINC001087810864 814218950 /nfs/dbraw/zinc/21/89/50/814218950.db2.gz PNSSTTVWRVHADM-GXTWGEPZSA-N 2 2 294.399 0.612 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1C[C@H](C)O ZINC001087847580 814236092 /nfs/dbraw/zinc/23/60/92/814236092.db2.gz GYCUGUJJNYREQM-RWMBFGLXSA-N 2 2 280.372 0.233 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1C[C@H](C)O ZINC001087847580 814236095 /nfs/dbraw/zinc/23/60/95/814236095.db2.gz GYCUGUJJNYREQM-RWMBFGLXSA-N 2 2 280.372 0.233 20 0 CCADLP Cc1nonc1C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127065920 815622902 /nfs/dbraw/zinc/62/29/02/815622902.db2.gz HLFLIUQUTHRRFU-CYBMUJFWSA-N 2 2 295.387 0.457 20 0 CCADLP Cc1nonc1C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127065920 815622903 /nfs/dbraw/zinc/62/29/03/815622903.db2.gz HLFLIUQUTHRRFU-CYBMUJFWSA-N 2 2 295.387 0.457 20 0 CCADLP CO[C@@H](C[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1)C1CCC1 ZINC001030161828 815852509 /nfs/dbraw/zinc/85/25/09/815852509.db2.gz QQCHBXDYSVHCHR-CABCVRRESA-N 2 2 295.427 0.696 20 0 CCADLP CO[C@@H](C[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1)C1CCC1 ZINC001030161828 815852521 /nfs/dbraw/zinc/85/25/21/815852521.db2.gz QQCHBXDYSVHCHR-CABCVRRESA-N 2 2 295.427 0.696 20 0 CCADLP CC1CC(C[NH+]2CC(NC(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001030180635 815871522 /nfs/dbraw/zinc/87/15/22/815871522.db2.gz UJUBBHOLGGEISU-ORHYLEIMSA-N 2 2 281.400 0.164 20 0 CCADLP CC1CC(C[NH+]2CC(NC(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001030180635 815871530 /nfs/dbraw/zinc/87/15/30/815871530.db2.gz UJUBBHOLGGEISU-ORHYLEIMSA-N 2 2 281.400 0.164 20 0 CCADLP O=C(NC1C[NH+](CCCF)C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001030349032 815988169 /nfs/dbraw/zinc/98/81/69/815988169.db2.gz YZEKIMFBNSFTQR-STQMWFEESA-N 2 2 285.363 0.010 20 0 CCADLP O=C(NC1C[NH+](CCCF)C1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001030349032 815988172 /nfs/dbraw/zinc/98/81/72/815988172.db2.gz YZEKIMFBNSFTQR-STQMWFEESA-N 2 2 285.363 0.010 20 0 CCADLP O=C(NC1C[NH+](CC2CC2)C1)[C@@H]1CCCc2[nH+]ccn21 ZINC001030443995 816041032 /nfs/dbraw/zinc/04/10/32/816041032.db2.gz BETQAZKHNICGFP-ZDUSSCGKSA-N 2 2 274.368 0.971 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1Cc1ccon1 ZINC001089037950 816221941 /nfs/dbraw/zinc/22/19/41/816221941.db2.gz XLXIGAQEVBQUAZ-DYEKYZERSA-N 2 2 292.383 0.705 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1Cc1ccon1 ZINC001089037950 816221946 /nfs/dbraw/zinc/22/19/46/816221946.db2.gz XLXIGAQEVBQUAZ-DYEKYZERSA-N 2 2 292.383 0.705 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1Cc1ccon1 ZINC001089037950 816221950 /nfs/dbraw/zinc/22/19/50/816221950.db2.gz XLXIGAQEVBQUAZ-DYEKYZERSA-N 2 2 292.383 0.705 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1Cc1ccon1 ZINC001089037950 816221953 /nfs/dbraw/zinc/22/19/53/816221953.db2.gz XLXIGAQEVBQUAZ-DYEKYZERSA-N 2 2 292.383 0.705 20 0 CCADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC1C[NH+](CC3CC3)C1)CC2 ZINC001030855059 816348380 /nfs/dbraw/zinc/34/83/80/816348380.db2.gz YRCPDNRJTUBJCN-CYBMUJFWSA-N 2 2 288.395 0.964 20 0 CCADLP CC[NH+](CC)CCC(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC001272402292 816392248 /nfs/dbraw/zinc/39/22/48/816392248.db2.gz QTJNDASPITVGNF-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+](CC)CCC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC001272402292 816392256 /nfs/dbraw/zinc/39/22/56/816392256.db2.gz QTJNDASPITVGNF-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CC[N@@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001272437629 816427718 /nfs/dbraw/zinc/42/77/18/816427718.db2.gz NNKRUASVZKKMIC-AWEZNQCLSA-N 2 2 278.356 0.206 20 0 CCADLP CC[N@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001272437629 816427723 /nfs/dbraw/zinc/42/77/23/816427723.db2.gz NNKRUASVZKKMIC-AWEZNQCLSA-N 2 2 278.356 0.206 20 0 CCADLP CCC[N@@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001272457651 816445547 /nfs/dbraw/zinc/44/55/47/816445547.db2.gz VJTABZPCYFVDFE-OAHLLOKOSA-N 2 2 292.383 0.596 20 0 CCADLP CCC[N@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001272457651 816445548 /nfs/dbraw/zinc/44/55/48/816445548.db2.gz VJTABZPCYFVDFE-OAHLLOKOSA-N 2 2 292.383 0.596 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1 ZINC001099184074 816578352 /nfs/dbraw/zinc/57/83/52/816578352.db2.gz XLDIHMRELKLCJL-IPYPFGDCSA-N 2 2 292.383 0.235 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1 ZINC001099184074 816578356 /nfs/dbraw/zinc/57/83/56/816578356.db2.gz XLDIHMRELKLCJL-IPYPFGDCSA-N 2 2 292.383 0.235 20 0 CCADLP O=C(NC1C[NH+](CCCO)C1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001031084197 816633678 /nfs/dbraw/zinc/63/36/78/816633678.db2.gz XUVGZNLKGFLVSV-ZIAGYGMSSA-N 2 2 281.400 0.186 20 0 CCADLP O=C(NC1C[NH+](CCCO)C1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001031084197 816633680 /nfs/dbraw/zinc/63/36/80/816633680.db2.gz XUVGZNLKGFLVSV-ZIAGYGMSSA-N 2 2 281.400 0.186 20 0 CCADLP COCCOCCOCCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000690173848 816659975 /nfs/dbraw/zinc/65/99/75/816659975.db2.gz PCGXMUAAQNTNLL-KGLIPLIRSA-N 2 2 272.389 0.350 20 0 CCADLP COCCOCCOCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000690173848 816659978 /nfs/dbraw/zinc/65/99/78/816659978.db2.gz PCGXMUAAQNTNLL-KGLIPLIRSA-N 2 2 272.389 0.350 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC1C[NH+](CC[C@H]2CCCCO2)C1 ZINC001031476294 817072627 /nfs/dbraw/zinc/07/26/27/817072627.db2.gz GHBZYMVLXFGJLA-CQSZACIVSA-N 2 2 292.383 0.643 20 0 CCADLP CC(C)[NH+]1CC(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001031787908 817366755 /nfs/dbraw/zinc/36/67/55/817366755.db2.gz GORABVMRUSUCSN-CYBMUJFWSA-N 2 2 276.384 0.902 20 0 CCADLP CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]CCF ZINC000996458299 817809346 /nfs/dbraw/zinc/80/93/46/817809346.db2.gz TXWZFUXNMMUQOV-SNVBAGLBSA-N 2 2 268.336 0.748 20 0 CCADLP CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001032331377 817884559 /nfs/dbraw/zinc/88/45/59/817884559.db2.gz BDQGULROUBZGTG-IHRRRGAJSA-N 2 2 281.400 0.402 20 0 CCADLP CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001032331377 817884565 /nfs/dbraw/zinc/88/45/65/817884565.db2.gz BDQGULROUBZGTG-IHRRRGAJSA-N 2 2 281.400 0.402 20 0 CCADLP CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001032331377 817884571 /nfs/dbraw/zinc/88/45/71/817884571.db2.gz BDQGULROUBZGTG-IHRRRGAJSA-N 2 2 281.400 0.402 20 0 CCADLP CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001032331377 817884575 /nfs/dbraw/zinc/88/45/75/817884575.db2.gz BDQGULROUBZGTG-IHRRRGAJSA-N 2 2 281.400 0.402 20 0 CCADLP CC[NH2+][C@@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001078736298 818038613 /nfs/dbraw/zinc/03/86/13/818038613.db2.gz HWIWZWRSBPAMDJ-NEPJUHHUSA-N 2 2 262.357 0.989 20 0 CCADLP C[C@@H](CC[NH2+]CCF)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001273026756 818472622 /nfs/dbraw/zinc/47/26/22/818472622.db2.gz KSZKFUUJJJUFAF-QJPTWQEYSA-N 2 2 282.363 0.978 20 0 CCADLP Cc1oncc1C[NH2+]CC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001273046074 818524443 /nfs/dbraw/zinc/52/44/43/818524443.db2.gz WGXNNKABPFYUJA-SNVBAGLBSA-N 2 2 291.355 0.933 20 0 CCADLP CC(C)Nc1ccnc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001168736725 818551242 /nfs/dbraw/zinc/55/12/42/818551242.db2.gz PSPGKJDWYINMOF-UHFFFAOYSA-N 2 2 277.376 0.891 20 0 CCADLP Cn1cc(NC(=[NH2+])N2CC[NH+](C)CC2)cc(F)c1=O ZINC001168740377 818600138 /nfs/dbraw/zinc/60/01/38/818600138.db2.gz GNBTZEQIPHTEIM-UHFFFAOYSA-N 2 2 267.308 0.118 20 0 CCADLP CN1CC2(C[NH+](CC3(C)CC[NH+](C)CC3)C2)OCC1=O ZINC001273101018 818605894 /nfs/dbraw/zinc/60/58/94/818605894.db2.gz LAJKOQGKOZUWMX-UHFFFAOYSA-N 2 2 281.400 0.261 20 0 CCADLP CCC[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033592849 818843166 /nfs/dbraw/zinc/84/31/66/818843166.db2.gz DQFNEUYJNQIBQA-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP CCC[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033592849 818843170 /nfs/dbraw/zinc/84/31/70/818843170.db2.gz DQFNEUYJNQIBQA-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001033788581 818936170 /nfs/dbraw/zinc/93/61/70/818936170.db2.gz HVZCBLMCSDPBSE-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001033788581 818936178 /nfs/dbraw/zinc/93/61/78/818936178.db2.gz HVZCBLMCSDPBSE-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001033788581 818936182 /nfs/dbraw/zinc/93/61/82/818936182.db2.gz HVZCBLMCSDPBSE-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001033788581 818936190 /nfs/dbraw/zinc/93/61/90/818936190.db2.gz HVZCBLMCSDPBSE-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001033788623 818936482 /nfs/dbraw/zinc/93/64/82/818936482.db2.gz INYBTPOLBVBNFF-HUUCEWRRSA-N 2 2 295.427 0.650 20 0 CCADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001033788623 818936489 /nfs/dbraw/zinc/93/64/89/818936489.db2.gz INYBTPOLBVBNFF-HUUCEWRRSA-N 2 2 295.427 0.650 20 0 CCADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](CC2CC2)C1 ZINC001033788623 818936493 /nfs/dbraw/zinc/93/64/93/818936493.db2.gz INYBTPOLBVBNFF-HUUCEWRRSA-N 2 2 295.427 0.650 20 0 CCADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](CC2CC2)C1 ZINC001033788623 818936501 /nfs/dbraw/zinc/93/65/01/818936501.db2.gz INYBTPOLBVBNFF-HUUCEWRRSA-N 2 2 295.427 0.650 20 0 CCADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001033790948 818941025 /nfs/dbraw/zinc/94/10/25/818941025.db2.gz ZZYYLMBAAJCMSG-ZIAGYGMSSA-N 2 2 283.416 0.648 20 0 CCADLP CCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](C(C)C)C1 ZINC001033790948 818941028 /nfs/dbraw/zinc/94/10/28/818941028.db2.gz ZZYYLMBAAJCMSG-ZIAGYGMSSA-N 2 2 283.416 0.648 20 0 CCADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](C(C)C)C1 ZINC001033790948 818941030 /nfs/dbraw/zinc/94/10/30/818941030.db2.gz ZZYYLMBAAJCMSG-ZIAGYGMSSA-N 2 2 283.416 0.648 20 0 CCADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](C(C)C)C1 ZINC001033790948 818941033 /nfs/dbraw/zinc/94/10/33/818941033.db2.gz ZZYYLMBAAJCMSG-ZIAGYGMSSA-N 2 2 283.416 0.648 20 0 CCADLP COCCC[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128967282 819237211 /nfs/dbraw/zinc/23/72/11/819237211.db2.gz JLKPSYNXRHLZNT-UHFFFAOYSA-N 2 2 254.334 0.085 20 0 CCADLP COCCC[NH2+]CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001128967282 819237215 /nfs/dbraw/zinc/23/72/15/819237215.db2.gz JLKPSYNXRHLZNT-UHFFFAOYSA-N 2 2 254.334 0.085 20 0 CCADLP C[C@@H]1C[C@H](C[NH2+]CCNC(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001128967514 819237543 /nfs/dbraw/zinc/23/75/43/819237543.db2.gz UOGZDZYDPYRBNG-CHWSQXEVSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@@H]1C[C@H](C[NH2+]CCNC(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC001128967514 819237549 /nfs/dbraw/zinc/23/75/49/819237549.db2.gz UOGZDZYDPYRBNG-CHWSQXEVSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547454 819241222 /nfs/dbraw/zinc/24/12/22/819241222.db2.gz QTQDLFVICLLNDI-OLZOCXBDSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@@H](O)C[N@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547454 819241226 /nfs/dbraw/zinc/24/12/26/819241226.db2.gz QTQDLFVICLLNDI-OLZOCXBDSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@H](O)CC(F)(F)F)C2 ZINC000703550910 819290487 /nfs/dbraw/zinc/29/04/87/819290487.db2.gz YMGWGLSEZBSNHZ-IVZWLZJFSA-N 2 2 252.280 0.841 20 0 CCADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@H](O)CC(F)(F)F)C2 ZINC000703550910 819290493 /nfs/dbraw/zinc/29/04/93/819290493.db2.gz YMGWGLSEZBSNHZ-IVZWLZJFSA-N 2 2 252.280 0.841 20 0 CCADLP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCN1C(=O)c3ccccc3C1=O)C2 ZINC000703582843 819297421 /nfs/dbraw/zinc/29/74/21/819297421.db2.gz VFMZROGHPDYWHR-YVEFUNNKSA-N 2 2 299.374 0.824 20 0 CCADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCN1C(=O)c3ccccc3C1=O)C2 ZINC000703582843 819297425 /nfs/dbraw/zinc/29/74/25/819297425.db2.gz VFMZROGHPDYWHR-YVEFUNNKSA-N 2 2 299.374 0.824 20 0 CCADLP O=C(N1CCC(n2cc[nH+]c2)CC1)[C@]1(F)CC[NH2+]C1 ZINC000827995279 819383903 /nfs/dbraw/zinc/38/39/03/819383903.db2.gz BETDBZHXBLEBRT-ZDUSSCGKSA-N 2 2 266.320 0.748 20 0 CCADLP C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1[NH2+]CCO ZINC001036015355 819673296 /nfs/dbraw/zinc/67/32/96/819673296.db2.gz NITRNULHMLTVDI-RYUDHWBXSA-N 2 2 280.372 0.161 20 0 CCADLP COC1(OC)CC[C@@H]1[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000711041917 819877431 /nfs/dbraw/zinc/87/74/31/819877431.db2.gz OUMVMBMURNQJSE-AGIUHOORSA-N 2 2 270.373 0.591 20 0 CCADLP COC1(OC)CC[C@@H]1[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000711041917 819877440 /nfs/dbraw/zinc/87/74/40/819877440.db2.gz OUMVMBMURNQJSE-AGIUHOORSA-N 2 2 270.373 0.591 20 0 CCADLP COC[C@@H](C)OC[C@H](O)C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000711353245 820008797 /nfs/dbraw/zinc/00/87/97/820008797.db2.gz KOTVXYOIBSFDQG-FRRDWIJNSA-N 2 2 260.378 0.212 20 0 CCADLP COC[C@@H](C)OC[C@H](O)C[N@H+]1CCCC[C@H]1C[NH3+] ZINC000711353245 820008806 /nfs/dbraw/zinc/00/88/06/820008806.db2.gz KOTVXYOIBSFDQG-FRRDWIJNSA-N 2 2 260.378 0.212 20 0 CCADLP COC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001081037979 820671774 /nfs/dbraw/zinc/67/17/74/820671774.db2.gz IWJINXPONIQKGR-JHJVBQTASA-N 2 2 280.372 0.355 20 0 CCADLP COC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001081037979 820671778 /nfs/dbraw/zinc/67/17/78/820671778.db2.gz IWJINXPONIQKGR-JHJVBQTASA-N 2 2 280.372 0.355 20 0 CCADLP CO[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001081670524 820816592 /nfs/dbraw/zinc/81/65/92/820816592.db2.gz XYMLYPJLMYNGFX-MGPQQGTHSA-N 2 2 299.390 0.113 20 0 CCADLP CO[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001081670524 820816601 /nfs/dbraw/zinc/81/66/01/820816601.db2.gz XYMLYPJLMYNGFX-MGPQQGTHSA-N 2 2 299.390 0.113 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCO)C1 ZINC001082795547 821033951 /nfs/dbraw/zinc/03/39/51/821033951.db2.gz AQTSFBHKJUITMV-DMDPSCGWSA-N 2 2 280.372 0.017 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCO)C1 ZINC001082795547 821033965 /nfs/dbraw/zinc/03/39/65/821033965.db2.gz AQTSFBHKJUITMV-DMDPSCGWSA-N 2 2 280.372 0.017 20 0 CCADLP CC(C)[N@@H+]1C[C@H]2OCCN(C(=O)CCc3c[nH]c[nH+]3)[C@H]2C1 ZINC001083101707 821140134 /nfs/dbraw/zinc/14/01/34/821140134.db2.gz RXOSPOHIFDGPAJ-UONOGXRCSA-N 2 2 292.383 0.662 20 0 CCADLP CC(C)[N@H+]1C[C@H]2OCCN(C(=O)CCc3c[nH]c[nH+]3)[C@H]2C1 ZINC001083101707 821140141 /nfs/dbraw/zinc/14/01/41/821140141.db2.gz RXOSPOHIFDGPAJ-UONOGXRCSA-N 2 2 292.383 0.662 20 0 CCADLP OC[C@@H]1CCN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC001166550052 821143326 /nfs/dbraw/zinc/14/33/26/821143326.db2.gz OTPLVQATGLWVRI-GFCCVEGCSA-N 2 2 262.357 0.310 20 0 CCADLP CC(C)[N@@H+]1C[C@H]2OCCN(C(=O)CCn3cc[nH+]c3)[C@H]2C1 ZINC001083157755 821150804 /nfs/dbraw/zinc/15/08/04/821150804.db2.gz NVIUJHABMUYTLA-UONOGXRCSA-N 2 2 292.383 0.593 20 0 CCADLP CC(C)[N@H+]1C[C@H]2OCCN(C(=O)CCn3cc[nH+]c3)[C@H]2C1 ZINC001083157755 821150809 /nfs/dbraw/zinc/15/08/09/821150809.db2.gz NVIUJHABMUYTLA-UONOGXRCSA-N 2 2 292.383 0.593 20 0 CCADLP CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001084465466 821293196 /nfs/dbraw/zinc/29/31/96/821293196.db2.gz MHKLWNQNKGCBHC-HZSPNIEDSA-N 2 2 288.395 0.998 20 0 CCADLP CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001084465466 821293204 /nfs/dbraw/zinc/29/32/04/821293204.db2.gz MHKLWNQNKGCBHC-HZSPNIEDSA-N 2 2 288.395 0.998 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099809652 821334458 /nfs/dbraw/zinc/33/44/58/821334458.db2.gz KRFYUVLCMHYQQD-RYUDHWBXSA-N 2 2 280.372 0.304 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099809652 821334459 /nfs/dbraw/zinc/33/44/59/821334459.db2.gz KRFYUVLCMHYQQD-RYUDHWBXSA-N 2 2 280.372 0.304 20 0 CCADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CCO[C@@H](C[NH3+])C1 ZINC001166940543 821351513 /nfs/dbraw/zinc/35/15/13/821351513.db2.gz MACVHZXFFXXMKN-NSHDSACASA-N 2 2 279.340 0.649 20 0 CCADLP C[C@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1cn(C)nn1 ZINC001119607169 821391840 /nfs/dbraw/zinc/39/18/40/821391840.db2.gz YCQGJKAMHZXGKZ-ZDUSSCGKSA-N 2 2 280.420 0.493 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCF)[C@H]3C2)C1 ZINC001084911392 821429046 /nfs/dbraw/zinc/42/90/46/821429046.db2.gz ZIWFBKMBMKSPSP-HZSPNIEDSA-N 2 2 299.390 0.209 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCF)[C@H]3C2)C1 ZINC001084911392 821429050 /nfs/dbraw/zinc/42/90/50/821429050.db2.gz ZIWFBKMBMKSPSP-HZSPNIEDSA-N 2 2 299.390 0.209 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CCF)[C@H]3C2)C1 ZINC001084911392 821429054 /nfs/dbraw/zinc/42/90/54/821429054.db2.gz ZIWFBKMBMKSPSP-HZSPNIEDSA-N 2 2 299.390 0.209 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CCF)[C@H]3C2)C1 ZINC001084911392 821429058 /nfs/dbraw/zinc/42/90/58/821429058.db2.gz ZIWFBKMBMKSPSP-HZSPNIEDSA-N 2 2 299.390 0.209 20 0 CCADLP O=C(C[NH+]1CCC1)N1CC2(CC[N@H+]2C2CCCC2)C1 ZINC001273366362 821983348 /nfs/dbraw/zinc/98/33/48/821983348.db2.gz DVIQDDKOIXZAEL-UHFFFAOYSA-N 2 2 263.385 0.921 20 0 CCADLP CCOC(=O)c1c[nH]c2cc(N(CC[NH3+])CCO)[nH+]cc21 ZINC001155953587 822285154 /nfs/dbraw/zinc/28/51/54/822285154.db2.gz XHYWHTAHCGZSJX-UHFFFAOYSA-N 2 2 292.339 0.497 20 0 CCADLP C[C@@H](CCCC[NH2+]CC(N)=O)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170471371 837612169 /nfs/dbraw/zinc/61/21/69/837612169.db2.gz BKUVLKWXRQZVAW-NSHDSACASA-N 2 2 295.387 0.092 20 0 CCADLP O=C(NCC[NH2+]Cc1cnon1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001130190217 837720469 /nfs/dbraw/zinc/72/04/69/837720469.db2.gz XMKQFPXEDHYWJN-QWHCGFSZSA-N 2 2 293.371 0.292 20 0 CCADLP O=C(NCC[NH2+]Cc1cnon1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001130190217 837720477 /nfs/dbraw/zinc/72/04/77/837720477.db2.gz XMKQFPXEDHYWJN-QWHCGFSZSA-N 2 2 293.371 0.292 20 0 CCADLP CC[C@H](C(=O)NCC[NH2+][C@@H](C)c1nnc(C)[nH]1)[NH+](C)C ZINC001130203149 837722316 /nfs/dbraw/zinc/72/23/16/837722316.db2.gz GPOWRIKIOXEILB-GXSJLCMTSA-N 2 2 282.392 0.220 20 0 CCADLP CC[C@@H](C[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)OC ZINC001130478138 837800800 /nfs/dbraw/zinc/80/08/00/837800800.db2.gz SXGWMYKLPFBJKQ-STQMWFEESA-N 2 2 294.399 0.576 20 0 CCADLP C[C@@H](F)CC[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130477146 837802150 /nfs/dbraw/zinc/80/21/50/837802150.db2.gz BPFWUNAKCMSUOU-NEPJUHHUSA-N 2 2 282.363 0.899 20 0 CCADLP COC[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130484792 837808875 /nfs/dbraw/zinc/80/88/75/837808875.db2.gz VYEMRJLJEUNEIN-NWDGAFQWSA-N 2 2 280.372 0.186 20 0 CCADLP COC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130484794 837809038 /nfs/dbraw/zinc/80/90/38/837809038.db2.gz VYEMRJLJEUNEIN-VXGBXAGGSA-N 2 2 280.372 0.186 20 0 CCADLP CCCC[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130488353 837811573 /nfs/dbraw/zinc/81/15/73/837811573.db2.gz PNYMFSVDMUAQIC-LBPRGKRZSA-N 2 2 264.373 0.951 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]CCCC(F)(F)F)CC1 ZINC000149088051 842572456 /nfs/dbraw/zinc/57/24/56/842572456.db2.gz ULLZKBBXCMEACK-UHFFFAOYSA-N 2 2 267.295 0.693 20 0 CCADLP C[NH+](C)[C@H]1C[C@@H](C(=O)N2CCc3[nH+]ccn3CC2)C1 ZINC001183372326 844014147 /nfs/dbraw/zinc/01/41/47/844014147.db2.gz HIHCDHVGQMPWFR-TXEJJXNPSA-N 2 2 262.357 0.608 20 0 CCADLP CC[NH2+]C[C@]1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001183596548 844051606 /nfs/dbraw/zinc/05/16/06/844051606.db2.gz STRLJEPEVVSEGZ-TZMCWYRMSA-N 2 2 264.373 0.977 20 0 CCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001183773647 844087243 /nfs/dbraw/zinc/08/72/43/844087243.db2.gz RQKCUXLSEDRWQX-CHWSQXEVSA-N 2 2 292.383 0.018 20 0 CCADLP CCC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001108343737 835980740 /nfs/dbraw/zinc/98/07/40/835980740.db2.gz YXPHHNHJWDMSMK-HNNXBMFYSA-N 2 2 294.399 0.580 20 0 CCADLP CCC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001108343737 835980746 /nfs/dbraw/zinc/98/07/46/835980746.db2.gz YXPHHNHJWDMSMK-HNNXBMFYSA-N 2 2 294.399 0.580 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@]1(C)C[N@H+](C(C)C)CCO1 ZINC001108367540 835989880 /nfs/dbraw/zinc/98/98/80/835989880.db2.gz KFOGZXUIVZTPNJ-HNNXBMFYSA-N 2 2 294.399 0.876 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@]1(C)C[N@@H+](C(C)C)CCO1 ZINC001108367540 835989886 /nfs/dbraw/zinc/98/98/86/835989886.db2.gz KFOGZXUIVZTPNJ-HNNXBMFYSA-N 2 2 294.399 0.876 20 0 CCADLP Nc1ccc(CCC(=O)N2CC[NH+]3CCC2CC3)c[nH+]1 ZINC001183933018 844112424 /nfs/dbraw/zinc/11/24/24/844112424.db2.gz FYJNXNXMIGHHDW-UHFFFAOYSA-N 2 2 274.368 0.903 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)CCNC(=O)C1CC1 ZINC001168859936 836020992 /nfs/dbraw/zinc/02/09/92/836020992.db2.gz UIVRRBMZIISYLJ-UHFFFAOYSA-N 2 2 250.346 0.731 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)CCNC(=O)C1CC1 ZINC001168859936 836021003 /nfs/dbraw/zinc/02/10/03/836021003.db2.gz UIVRRBMZIISYLJ-UHFFFAOYSA-N 2 2 250.346 0.731 20 0 CCADLP Cc1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc2cc[nH]c21 ZINC001169076742 836116510 /nfs/dbraw/zinc/11/65/10/836116510.db2.gz WSAHHKACABCEKX-SNVBAGLBSA-N 2 2 271.324 0.919 20 0 CCADLP Cc1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc2nc[nH]c21 ZINC001169070906 836124060 /nfs/dbraw/zinc/12/40/60/836124060.db2.gz FNKAXMAYLYKZCH-SECBINFHSA-N 2 2 272.312 0.314 20 0 CCADLP Cn1ccc2cnc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)nc21 ZINC001169067913 836124419 /nfs/dbraw/zinc/12/44/19/836124419.db2.gz ZYPMOYCPQDOENN-SNVBAGLBSA-N 2 2 272.312 0.016 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nnc(Cl)nc1Cl ZINC001169071813 836125249 /nfs/dbraw/zinc/12/52/49/836125249.db2.gz FTGJUMCNCJYWOB-RXMQYKEDSA-N 2 2 289.126 0.226 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH2+]CCCNC(=O)Cc2[nH]cc[nH+]2)O1 ZINC001169203734 836158294 /nfs/dbraw/zinc/15/82/94/836158294.db2.gz AZPXRECFHWLASP-NEPJUHHUSA-N 2 2 280.372 0.616 20 0 CCADLP CCCC[C@@H]([NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001169212532 836161956 /nfs/dbraw/zinc/16/19/56/836161956.db2.gz VAWMIJSQMIBTIN-LLVKDONJSA-N 2 2 295.387 0.092 20 0 CCADLP CCN(CC)C(=O)C[C@H](C)[NH2+][C@]1(C[NH3+])CN2CCC1CC2 ZINC001169449892 836282220 /nfs/dbraw/zinc/28/22/20/836282220.db2.gz WXTUBMRQXKOSQN-XJKSGUPXSA-N 2 2 296.459 0.646 20 0 CCADLP CC(=O)N1CC[C@H]([NH+]2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)C1 ZINC001169564490 836356171 /nfs/dbraw/zinc/35/61/71/836356171.db2.gz XTDNJOCHFFRFCB-HZSPNIEDSA-N 2 2 251.374 0.633 20 0 CCADLP CC(=O)N1CC[C@H]([NH+]2C[C@H]3CCC[N@H+](C)[C@@H]3C2)C1 ZINC001169564490 836356177 /nfs/dbraw/zinc/35/61/77/836356177.db2.gz XTDNJOCHFFRFCB-HZSPNIEDSA-N 2 2 251.374 0.633 20 0 CCADLP CC(=O)N1CC[C@H]([N@@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)C1 ZINC001169564490 836356183 /nfs/dbraw/zinc/35/61/83/836356183.db2.gz XTDNJOCHFFRFCB-HZSPNIEDSA-N 2 2 251.374 0.633 20 0 CCADLP CC(=O)N1CC[C@H]([N@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)C1 ZINC001169564490 836356189 /nfs/dbraw/zinc/35/61/89/836356189.db2.gz XTDNJOCHFFRFCB-HZSPNIEDSA-N 2 2 251.374 0.633 20 0 CCADLP C[NH+](C)CCC[NH2+]C1CCC(S(C)(=O)=O)CC1 ZINC001169852752 836461060 /nfs/dbraw/zinc/46/10/60/836461060.db2.gz AOEJRVKUAOWWEX-UHFFFAOYSA-N 2 2 262.419 0.884 20 0 CCADLP Cc1nc(N(C)C[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001108969835 836588080 /nfs/dbraw/zinc/58/80/80/836588080.db2.gz WAQFFLHCRMGVMN-DGCLKSJQSA-N 2 2 291.399 0.678 20 0 CCADLP Cc1nc(N(C)C[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001108969835 836588090 /nfs/dbraw/zinc/58/80/90/836588090.db2.gz WAQFFLHCRMGVMN-DGCLKSJQSA-N 2 2 291.399 0.678 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C[NH2+]CCO ZINC001184272995 844184983 /nfs/dbraw/zinc/18/49/83/844184983.db2.gz INSYFEIWJLEAJN-OLZOCXBDSA-N 2 2 294.399 0.409 20 0 CCADLP Cc1nc(NCCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001109457691 836684770 /nfs/dbraw/zinc/68/47/70/836684770.db2.gz DYROCWREDWSPQT-CYBMUJFWSA-N 2 2 291.399 0.997 20 0 CCADLP Cc1nc(NCCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001109457691 836684773 /nfs/dbraw/zinc/68/47/73/836684773.db2.gz DYROCWREDWSPQT-CYBMUJFWSA-N 2 2 291.399 0.997 20 0 CCADLP c1cc(NC[C@@H]2COCC[NH2+]2)nc(N2CCCC2)[nH+]1 ZINC001170035097 836753143 /nfs/dbraw/zinc/75/31/43/836753143.db2.gz IIYAWCNYCRRGTG-LLVKDONJSA-N 2 2 263.345 0.477 20 0 CCADLP Cc1[nH+]ccn1-c1cncc(NC[C@H]2COCC[NH2+]2)n1 ZINC001170041435 836769054 /nfs/dbraw/zinc/76/90/54/836769054.db2.gz IPXHWEPSOKYHPA-NSHDSACASA-N 2 2 274.328 0.371 20 0 CCADLP Cc1[nH+]cn(-c2ccc(NC[C@@H]3COCC[NH2+]3)nn2)c1C ZINC001170042633 836771756 /nfs/dbraw/zinc/77/17/56/836771756.db2.gz RDZXTLNMMRGSRF-GFCCVEGCSA-N 2 2 288.355 0.679 20 0 CCADLP CCOC(=O)[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H](C(=O)OC)C1 ZINC001170507538 837873410 /nfs/dbraw/zinc/87/34/10/837873410.db2.gz CMRLSRUQXRNGGR-UTUOFQBUSA-N 2 2 286.372 0.588 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H](NC(=[NH2+])N2CC[NH+](C)CC2)C1 ZINC001170512293 837919149 /nfs/dbraw/zinc/91/91/49/837919149.db2.gz LTJAKONTEOHCGT-GHMZBOCLSA-N 2 2 268.361 0.100 20 0 CCADLP Cc1nonc1C[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130805984 837930600 /nfs/dbraw/zinc/93/06/00/837930600.db2.gz XFGKIBCRGYPKBB-UHFFFAOYSA-N 2 2 293.371 0.212 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CCN2CCO[C@H]1C2 ZINC001170528022 837965675 /nfs/dbraw/zinc/96/56/75/837965675.db2.gz VXTTXHWOWPLDFX-KBPBESRZSA-N 2 2 264.373 0.678 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCN2CCO[C@H]1C2 ZINC001170528022 837965676 /nfs/dbraw/zinc/96/56/76/837965676.db2.gz VXTTXHWOWPLDFX-KBPBESRZSA-N 2 2 264.373 0.678 20 0 CCADLP CCc1ncnc(Cl)c1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158203027 837976900 /nfs/dbraw/zinc/97/69/00/837976900.db2.gz CYRHUBLFXUZKFW-MRVPVSSYSA-N 2 2 281.747 0.740 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1snnc1C ZINC001131380420 838077991 /nfs/dbraw/zinc/07/79/91/838077991.db2.gz LHSSLKMPIWMYPJ-UHFFFAOYSA-N 2 2 294.384 0.257 20 0 CCADLP Cc1cc(C)c(C(=O)NCC[NH2+]C[C@@H](C)O)c(C)[nH+]1 ZINC001131560522 838142482 /nfs/dbraw/zinc/14/24/82/838142482.db2.gz RHSSMYDFSPOWKS-LLVKDONJSA-N 2 2 265.357 0.707 20 0 CCADLP CCCCOCC[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131656659 838171698 /nfs/dbraw/zinc/17/16/98/838171698.db2.gz SVMAMYUTPXFCFN-UHFFFAOYSA-N 2 2 296.415 0.875 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]C[C@@H]1CCOC1 ZINC001132081631 838312993 /nfs/dbraw/zinc/31/29/93/838312993.db2.gz CQBLHBORTGYOJZ-LBPRGKRZSA-N 2 2 266.345 0.016 20 0 CCADLP CC1(C)CO[C@@H](C[NH2+]CCNC(=O)CCn2cc[nH+]c2)C1 ZINC001132082565 838314429 /nfs/dbraw/zinc/31/44/29/838314429.db2.gz RJFKMAAJJHDKAW-CYBMUJFWSA-N 2 2 294.399 0.794 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]CC[C@H]1CCCCO1 ZINC001132082718 838314611 /nfs/dbraw/zinc/31/46/11/838314611.db2.gz UPYPMNAFDZDGLC-CQSZACIVSA-N 2 2 294.399 0.938 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[NH2+]Cc2cnsn2)CC[N@@H+]1C ZINC001132885993 838511649 /nfs/dbraw/zinc/51/16/49/838511649.db2.gz ADPVFDSSBSWEHP-QWRGUYRKSA-N 2 2 297.428 0.474 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[NH2+]Cc2cnsn2)CC[N@H+]1C ZINC001132885993 838511653 /nfs/dbraw/zinc/51/16/53/838511653.db2.gz ADPVFDSSBSWEHP-QWRGUYRKSA-N 2 2 297.428 0.474 20 0 CCADLP COC[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001133668390 838692413 /nfs/dbraw/zinc/69/24/13/838692413.db2.gz WGPLCJWWRLQAJE-MNOVXSKESA-N 2 2 280.372 0.570 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)C[N@@H+]2CCC[C@@H]2C)[nH]1 ZINC001133824076 838736556 /nfs/dbraw/zinc/73/65/56/838736556.db2.gz XHELHRNGYITOKL-QWRGUYRKSA-N 2 2 294.403 0.364 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)C[N@H+]2CCC[C@@H]2C)[nH]1 ZINC001133824076 838736561 /nfs/dbraw/zinc/73/65/61/838736561.db2.gz XHELHRNGYITOKL-QWRGUYRKSA-N 2 2 294.403 0.364 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C[NH2+]CCCO ZINC001185212848 844364814 /nfs/dbraw/zinc/36/48/14/844364814.db2.gz ANRJDJGAVYVULH-CHWSQXEVSA-N 2 2 294.399 0.409 20 0 CCADLP CC[C@@H](C(=O)NCC[NH2+]Cc1csnn1)[NH+](C)C ZINC001133982821 838804512 /nfs/dbraw/zinc/80/45/12/838804512.db2.gz OLORFGRGEPESGJ-JTQLQIEISA-N 2 2 271.390 0.084 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C(=O)NCc1[nH+]cn2ccccc12 ZINC001185266478 844389321 /nfs/dbraw/zinc/38/93/21/844389321.db2.gz APYDSIRVKNJTTL-AWEZNQCLSA-N 2 2 287.367 0.196 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C(=O)NCc1[nH+]cn2ccccc12 ZINC001185266478 844389329 /nfs/dbraw/zinc/38/93/29/844389329.db2.gz APYDSIRVKNJTTL-AWEZNQCLSA-N 2 2 287.367 0.196 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]Cc1ccnc(Cl)c1 ZINC001134407346 838961619 /nfs/dbraw/zinc/96/16/19/838961619.db2.gz ZJPIUSXSBNTTFB-UHFFFAOYSA-N 2 2 293.758 0.907 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CCc1ccccc1 ZINC001134393531 838964324 /nfs/dbraw/zinc/96/43/24/838964324.db2.gz OQZABLAYIJHFSQ-UHFFFAOYSA-N 2 2 272.352 0.901 20 0 CCADLP CC(C)NC(=O)C[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001134498810 838995208 /nfs/dbraw/zinc/99/52/08/838995208.db2.gz PGAPJMQVQPXIRR-LBPRGKRZSA-N 2 2 295.387 0.065 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)CC2CC[NH+](C)CC2)o1 ZINC001134780682 839072904 /nfs/dbraw/zinc/07/29/04/839072904.db2.gz RIAHSMXGGQRZGN-UHFFFAOYSA-N 2 2 295.387 0.316 20 0 CCADLP Cc1cc(N[C@@H]2C[NH2+]C[C@H]2CO)cc(OC(F)F)[nH+]1 ZINC001170786737 839143699 /nfs/dbraw/zinc/14/36/99/839143699.db2.gz ADKXLIWYRNHHBH-WCBMZHEXSA-N 2 2 273.283 0.984 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1nccc(C)n1 ZINC001135508350 839264073 /nfs/dbraw/zinc/26/40/73/839264073.db2.gz MCOKQPIIKNFLNC-UHFFFAOYSA-N 2 2 279.388 0.333 20 0 CCADLP CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135555857 839292779 /nfs/dbraw/zinc/29/27/79/839292779.db2.gz BWRRCKYQVUDNAZ-NEPJUHHUSA-N 2 2 282.388 0.862 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]C[C@H](O)C1CCCCC1 ZINC001135757694 839391172 /nfs/dbraw/zinc/39/11/72/839391172.db2.gz MBMJFNCZDVVKEQ-ZDUSSCGKSA-N 2 2 294.399 0.599 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]C[C@@H](O)C1CCCCC1 ZINC001135757693 839392201 /nfs/dbraw/zinc/39/22/01/839392201.db2.gz MBMJFNCZDVVKEQ-CYBMUJFWSA-N 2 2 294.399 0.599 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CCCC1CCOCC1 ZINC001135758018 839394434 /nfs/dbraw/zinc/39/44/34/839394434.db2.gz WKVZBBMYRRMQEL-UHFFFAOYSA-N 2 2 294.399 0.865 20 0 CCADLP COCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135798492 839418677 /nfs/dbraw/zinc/41/86/77/839418677.db2.gz HSALAYDGRSFIDY-MNOVXSKESA-N 2 2 268.361 0.472 20 0 CCADLP [NH3+]CCC[C@H]([NH3+])Nc1nc2[nH]cnc2c(C(F)(F)F)n1 ZINC001170897580 839543634 /nfs/dbraw/zinc/54/36/34/839543634.db2.gz OBCQEUULBYDGDW-RXMQYKEDSA-N 2 2 289.265 0.759 20 0 CCADLP C([NH2+][C@H]1CCC[NH2+]C1)[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001246165831 839656423 /nfs/dbraw/zinc/65/64/23/839656423.db2.gz CKLIQXAMYJNCSZ-UONOGXRCSA-N 3 2 267.417 0.877 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H](NC[C@H]2CCC[NH2+]2)C[NH2+]1 ZINC001246187619 839666801 /nfs/dbraw/zinc/66/68/01/839666801.db2.gz RGBMHGDPTHKIDD-UTUOFQBUSA-N 2 2 269.389 0.400 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CC2CC2)C[C@H]1O ZINC001090763838 839786260 /nfs/dbraw/zinc/78/62/60/839786260.db2.gz MNVMMEIOVQNCEO-TZMCWYRMSA-N 2 2 292.383 0.222 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C[C@H]1O ZINC001090763838 839786265 /nfs/dbraw/zinc/78/62/65/839786265.db2.gz MNVMMEIOVQNCEO-TZMCWYRMSA-N 2 2 292.383 0.222 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@]2(CC)CC[NH2+]C2)CN1 ZINC001246464671 839859693 /nfs/dbraw/zinc/85/96/93/839859693.db2.gz SKBZXILJKOXMBI-DYEKYZERSA-N 2 2 269.389 0.402 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)CN1 ZINC001246556626 840005146 /nfs/dbraw/zinc/00/51/46/840005146.db2.gz JXNDOPDQBFTLGT-AXFHLTTASA-N 2 2 291.342 0.196 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)CN1 ZINC001246556626 840005152 /nfs/dbraw/zinc/00/51/52/840005152.db2.gz JXNDOPDQBFTLGT-AXFHLTTASA-N 2 2 291.342 0.196 20 0 CCADLP CC[NH+]1CCC([N@@H+]2CCCC[C@@](O)(C[NH3+])C2)CC1 ZINC001246565054 840040216 /nfs/dbraw/zinc/04/02/16/840040216.db2.gz XYQPJVJLEKXXMV-CQSZACIVSA-N 3 2 255.406 0.646 20 0 CCADLP CC[NH+]1CCC([N@H+]2CCCC[C@@](O)(C[NH3+])C2)CC1 ZINC001246565054 840040224 /nfs/dbraw/zinc/04/02/24/840040224.db2.gz XYQPJVJLEKXXMV-CQSZACIVSA-N 3 2 255.406 0.646 20 0 CCADLP [NH3+][C@@H]1C[N@H+](CC2CCN(c3ccccc3)CC2)C[C@H]1O ZINC001205346845 844520094 /nfs/dbraw/zinc/52/00/94/844520094.db2.gz GKGHTJOBVBBQAY-HZPDHXFCSA-N 2 2 275.396 0.907 20 0 CCADLP [NH3+][C@@H]1C[N@@H+](CC2CCN(c3ccccc3)CC2)C[C@H]1O ZINC001205346845 844520099 /nfs/dbraw/zinc/52/00/99/844520099.db2.gz GKGHTJOBVBBQAY-HZPDHXFCSA-N 2 2 275.396 0.907 20 0 CCADLP CCCc1noc(C[NH2+]CCNC(=O)CC[N@H+](C)CC)n1 ZINC001146718896 840354433 /nfs/dbraw/zinc/35/44/33/840354433.db2.gz KIPGEJMJBGJLAE-UHFFFAOYSA-N 2 2 297.403 0.570 20 0 CCADLP CCCc1noc(C[NH2+]CCNC(=O)CC[N@@H+](C)CC)n1 ZINC001146718896 840354445 /nfs/dbraw/zinc/35/44/45/840354445.db2.gz KIPGEJMJBGJLAE-UHFFFAOYSA-N 2 2 297.403 0.570 20 0 CCADLP C[N@@H+]1CCC[C@H](C(=O)N2CCc3[nH+]ccn3CC2)C1 ZINC001186354388 844539476 /nfs/dbraw/zinc/53/94/76/844539476.db2.gz HOVJVJZDBDLHQC-LBPRGKRZSA-N 2 2 262.357 0.610 20 0 CCADLP C[N@H+]1CCC[C@H](C(=O)N2CCc3[nH+]ccn3CC2)C1 ZINC001186354388 844539482 /nfs/dbraw/zinc/53/94/82/844539482.db2.gz HOVJVJZDBDLHQC-LBPRGKRZSA-N 2 2 262.357 0.610 20 0 CCADLP Cc1ncc(C[NH2+]CCNC(=O)Cc2[nH]c[nH+]c2C)s1 ZINC001149123535 840479578 /nfs/dbraw/zinc/47/95/78/840479578.db2.gz LAUKJLBGAKUYDG-UHFFFAOYSA-N 2 2 293.396 0.932 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000234816008 840684651 /nfs/dbraw/zinc/68/46/51/840684651.db2.gz KOTVXYOIBSFDQG-YNEHKIRRSA-N 2 2 260.378 0.212 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000234816008 840684661 /nfs/dbraw/zinc/68/46/61/840684661.db2.gz KOTVXYOIBSFDQG-YNEHKIRRSA-N 2 2 260.378 0.212 20 0 CCADLP CN1C(=O)CC[C@@H]2C[N@H+]([C@@H]3CCC[NH2+]C3)CC[C@@H]21 ZINC001246990423 840692257 /nfs/dbraw/zinc/69/22/57/840692257.db2.gz TWZKGENOVSYDNK-UPJWGTAASA-N 2 2 251.374 0.681 20 0 CCADLP CN1C(=O)CC[C@@H]2C[N@@H+]([C@@H]3CCC[NH2+]C3)CC[C@@H]21 ZINC001246990423 840692264 /nfs/dbraw/zinc/69/22/64/840692264.db2.gz TWZKGENOVSYDNK-UPJWGTAASA-N 2 2 251.374 0.681 20 0 CCADLP CCc1noc(C[NH2+]CCNC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001147891544 840705193 /nfs/dbraw/zinc/70/51/93/840705193.db2.gz CBIIRKSCZAMYAP-NSHDSACASA-N 2 2 295.387 0.180 20 0 CCADLP CCc1noc(C[NH2+]CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001147891544 840705200 /nfs/dbraw/zinc/70/52/00/840705200.db2.gz CBIIRKSCZAMYAP-NSHDSACASA-N 2 2 295.387 0.180 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]C[C@H]1C[C@]12CCOC2 ZINC001147877148 840711835 /nfs/dbraw/zinc/71/18/35/840711835.db2.gz DHTDNBJDTDPBHN-DOMZBBRYSA-N 2 2 292.383 0.095 20 0 CCADLP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]Cc2ncccn2)C1 ZINC001147878442 840714248 /nfs/dbraw/zinc/71/42/48/840714248.db2.gz YWHDBIRYWSGUDE-GFCCVEGCSA-N 2 2 277.372 0.024 20 0 CCADLP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+]Cc2ncccn2)C1 ZINC001147878442 840714256 /nfs/dbraw/zinc/71/42/56/840714256.db2.gz YWHDBIRYWSGUDE-GFCCVEGCSA-N 2 2 277.372 0.024 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)oc1C ZINC001147970244 840723749 /nfs/dbraw/zinc/72/37/49/840723749.db2.gz CXPXCFGHVWQGHO-UHFFFAOYSA-N 2 2 292.383 0.593 20 0 CCADLP Cc1ccnc(C[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001147970358 840724476 /nfs/dbraw/zinc/72/44/76/840724476.db2.gz JLFSSBPQAPCONO-UHFFFAOYSA-N 2 2 289.383 0.087 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186575845 844570040 /nfs/dbraw/zinc/57/00/40/844570040.db2.gz FMSJTODINQFGLB-WDEREUQCSA-N 2 2 266.345 0.178 20 0 CCADLP Cc1ccnc(C[NH2+]CCNC(=O)CCCC[NH+](C)C)n1 ZINC001148360456 840792794 /nfs/dbraw/zinc/79/27/94/840792794.db2.gz VKPSZRILYGYNPO-UHFFFAOYSA-N 2 2 293.415 0.723 20 0 CCADLP CCC[N@H+](C)CCC(=O)NCC[NH2+]Cc1nnc(CC)o1 ZINC001148571061 840840383 /nfs/dbraw/zinc/84/03/83/840840383.db2.gz URVFHPYDABQBIZ-UHFFFAOYSA-N 2 2 297.403 0.570 20 0 CCADLP CCC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1nnc(CC)o1 ZINC001148571061 840840397 /nfs/dbraw/zinc/84/03/97/840840397.db2.gz URVFHPYDABQBIZ-UHFFFAOYSA-N 2 2 297.403 0.570 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1nnc(CC)o1 ZINC001148643420 840863056 /nfs/dbraw/zinc/86/30/56/840863056.db2.gz ZPSGXVGMTHIZAL-NSHDSACASA-N 2 2 297.403 0.741 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1nnc(CC)o1 ZINC001148643420 840863064 /nfs/dbraw/zinc/86/30/64/840863064.db2.gz ZPSGXVGMTHIZAL-NSHDSACASA-N 2 2 297.403 0.741 20 0 CCADLP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CC[NH+](CCF)C[C@H]1O ZINC001099899628 840956951 /nfs/dbraw/zinc/95/69/51/840956951.db2.gz VZFFTBZCNQLILI-VXGBXAGGSA-N 2 2 289.395 0.238 20 0 CCADLP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CC[NH+](CCF)C[C@H]1O ZINC001099899628 840956959 /nfs/dbraw/zinc/95/69/59/840956959.db2.gz VZFFTBZCNQLILI-VXGBXAGGSA-N 2 2 289.395 0.238 20 0 CCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](CCF)C[C@H]1O ZINC001099899628 840956968 /nfs/dbraw/zinc/95/69/68/840956968.db2.gz VZFFTBZCNQLILI-VXGBXAGGSA-N 2 2 289.395 0.238 20 0 CCADLP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](CCF)C[C@H]1O ZINC001099899628 840956978 /nfs/dbraw/zinc/95/69/78/840956978.db2.gz VZFFTBZCNQLILI-VXGBXAGGSA-N 2 2 289.395 0.238 20 0 CCADLP Cc1nc(N2CCN(C(=O)CCC[NH+](C)C)CC2)cc[nH+]1 ZINC001093191415 841171645 /nfs/dbraw/zinc/17/16/45/841171645.db2.gz DKKIJUYKZYKFHP-UHFFFAOYSA-N 2 2 291.399 0.775 20 0 CCADLP Cc1nc(NCCNC(=O)CC[NH+](C)C)cc[nH+]1 ZINC001094089477 841529354 /nfs/dbraw/zinc/52/93/54/841529354.db2.gz YXEQOLXFQDYAOC-UHFFFAOYSA-N 2 2 251.334 0.265 20 0 CCADLP COCC[N@H+](C[C@H]1C[NH2+]CCO1)C1CCOCC1 ZINC000716414616 841654268 /nfs/dbraw/zinc/65/42/68/841654268.db2.gz DJQHNQKOQJMYLX-CYBMUJFWSA-N 2 2 258.362 0.102 20 0 CCADLP COCC[N@@H+](C[C@H]1C[NH2+]CCO1)C1CCOCC1 ZINC000716414616 841654271 /nfs/dbraw/zinc/65/42/71/841654271.db2.gz DJQHNQKOQJMYLX-CYBMUJFWSA-N 2 2 258.362 0.102 20 0 CCADLP Cc1[nH+]ccn1-c1cncc(Nc2nccnc2C[NH3+])n1 ZINC001171450564 841706501 /nfs/dbraw/zinc/70/65/01/841706501.db2.gz URPMTCSACIJJJE-UHFFFAOYSA-N 2 2 282.311 0.963 20 0 CCADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCO[C@@H](C(N)=O)C1)C2 ZINC001172128094 841836514 /nfs/dbraw/zinc/83/65/14/841836514.db2.gz ONNNCBQDOMOKDH-MROQNXINSA-N 2 2 267.373 0.188 20 0 CCADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCO[C@@H](C(N)=O)C1)C2 ZINC001172128094 841836526 /nfs/dbraw/zinc/83/65/26/841836526.db2.gz ONNNCBQDOMOKDH-MROQNXINSA-N 2 2 267.373 0.188 20 0 CCADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCO[C@@H](C(N)=O)C1)C2 ZINC001172128094 841836536 /nfs/dbraw/zinc/83/65/36/841836536.db2.gz ONNNCBQDOMOKDH-MROQNXINSA-N 2 2 267.373 0.188 20 0 CCADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCO[C@@H](C(N)=O)C1)C2 ZINC001172128094 841836545 /nfs/dbraw/zinc/83/65/45/841836545.db2.gz ONNNCBQDOMOKDH-MROQNXINSA-N 2 2 267.373 0.188 20 0 CCADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCO[C@H](CO)C1)C2 ZINC001172120353 841851810 /nfs/dbraw/zinc/85/18/10/841851810.db2.gz KCGJIPCKIKTFSV-CRWXNKLISA-N 2 2 254.374 0.695 20 0 CCADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCO[C@H](CO)C1)C2 ZINC001172120353 841851815 /nfs/dbraw/zinc/85/18/15/841851815.db2.gz KCGJIPCKIKTFSV-CRWXNKLISA-N 2 2 254.374 0.695 20 0 CCADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCO[C@H](CO)C1)C2 ZINC001172120353 841851826 /nfs/dbraw/zinc/85/18/26/841851826.db2.gz KCGJIPCKIKTFSV-CRWXNKLISA-N 2 2 254.374 0.695 20 0 CCADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCO[C@H](CO)C1)C2 ZINC001172120353 841851834 /nfs/dbraw/zinc/85/18/34/841851834.db2.gz KCGJIPCKIKTFSV-CRWXNKLISA-N 2 2 254.374 0.695 20 0 CCADLP CNc1nccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)n1 ZINC001206175202 841968643 /nfs/dbraw/zinc/96/86/43/841968643.db2.gz SGXXPDSNJWRSOW-GHMZBOCLSA-N 2 2 253.325 0.780 20 0 CCADLP CNc1nccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)n1 ZINC001206175202 841968651 /nfs/dbraw/zinc/96/86/51/841968651.db2.gz SGXXPDSNJWRSOW-GHMZBOCLSA-N 2 2 253.325 0.780 20 0 CCADLP COC(=O)[C@H]1CCC[C@H]([NH2+]C2(C[NH3+])COC2)CC1 ZINC001172772949 841973285 /nfs/dbraw/zinc/97/32/85/841973285.db2.gz PUYVNBLBCQXJJU-QWRGUYRKSA-N 2 2 256.346 0.426 20 0 CCADLP CN(OCC[NH3+])C1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC001172888181 841981387 /nfs/dbraw/zinc/98/13/87/841981387.db2.gz SOILUUGKDLTBOY-UHFFFAOYSA-N 2 2 287.404 0.615 20 0 CCADLP CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001095007760 841995030 /nfs/dbraw/zinc/99/50/30/841995030.db2.gz SFLWSVHTUANUKI-GVXVVHGQSA-N 2 2 262.357 0.941 20 0 CCADLP CC[N@@H+]1CC[C@@H](n2cnc(C[C@@H]([NH3+])C(=O)OC)c2)C1 ZINC001173356741 842056753 /nfs/dbraw/zinc/05/67/53/842056753.db2.gz KDKLOZLLEWAGLL-VXGBXAGGSA-N 2 2 266.345 0.193 20 0 CCADLP CC[N@H+]1CC[C@@H](n2cnc(C[C@@H]([NH3+])C(=O)OC)c2)C1 ZINC001173356741 842056764 /nfs/dbraw/zinc/05/67/64/842056764.db2.gz KDKLOZLLEWAGLL-VXGBXAGGSA-N 2 2 266.345 0.193 20 0 CCADLP C[NH+]1CCC(CO)([NH2+][C@@H]2CCC[C@@H](n3ncnn3)C2)CC1 ZINC001173749840 842147102 /nfs/dbraw/zinc/14/71/02/842147102.db2.gz LTCDSMMJLNRIBP-CHWSQXEVSA-N 2 2 294.403 0.203 20 0 CCADLP C[C@H](CCCC[NH2+]C[C@H](C)O)NC(=O)Cc1c[nH+]cn1C ZINC001176174275 842334468 /nfs/dbraw/zinc/33/44/68/842334468.db2.gz FCSKCTQRZHNPAW-OLZOCXBDSA-N 2 2 296.415 0.608 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCCC[NH2+]C[C@@H](C)O ZINC001176350338 842363490 /nfs/dbraw/zinc/36/34/90/842363490.db2.gz BOWKFFMOHRWKIG-VXGBXAGGSA-N 2 2 296.415 0.906 20 0 CCADLP C[NH+](C)C[C@H]1COCCN1C(=O)CCn1cc[nH+]c1 ZINC001176877959 842437882 /nfs/dbraw/zinc/43/78/82/842437882.db2.gz QKLUJKCGCKFGEA-LBPRGKRZSA-N 2 2 266.345 0.062 20 0 CCADLP C[N@@H+]1CCC[C@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001176884202 842442189 /nfs/dbraw/zinc/44/21/89/842442189.db2.gz XMUIROZULSANFE-ZDUSSCGKSA-N 2 2 250.346 0.874 20 0 CCADLP C[N@H+]1CCC[C@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001176884202 842442196 /nfs/dbraw/zinc/44/21/96/842442196.db2.gz XMUIROZULSANFE-ZDUSSCGKSA-N 2 2 250.346 0.874 20 0 CCADLP CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001177081992 842487923 /nfs/dbraw/zinc/48/79/23/842487923.db2.gz TYQQBTGNELICSB-UONOGXRCSA-N 2 2 295.427 0.650 20 0 CCADLP CC[N@H+]1CCO[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]21 ZINC001177081992 842487925 /nfs/dbraw/zinc/48/79/25/842487925.db2.gz TYQQBTGNELICSB-UONOGXRCSA-N 2 2 295.427 0.650 20 0 CCADLP Cc1cc(C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)nn1C ZINC001177405876 842578650 /nfs/dbraw/zinc/57/86/50/842578650.db2.gz RDCMMUBLMZOUIF-UHFFFAOYSA-N 2 2 290.371 0.221 20 0 CCADLP Cc1nc(C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)oc1C ZINC001177411282 842584383 /nfs/dbraw/zinc/58/43/83/842584383.db2.gz BBEBEAYZPHPHMR-UHFFFAOYSA-N 2 2 291.355 0.784 20 0 CCADLP C[C@H]1COCCN1CC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001177698484 842656326 /nfs/dbraw/zinc/65/63/26/842656326.db2.gz UWPAWFDTKBEOOY-ZDUSSCGKSA-N 2 2 278.400 0.958 20 0 CCADLP COCCN(C(=O)CCc1[nH]cc[nH+]1)C1CC[NH+](C)CC1 ZINC001177995224 842734930 /nfs/dbraw/zinc/73/49/30/842734930.db2.gz WOSQAQFXXBRFGP-UHFFFAOYSA-N 2 2 294.399 0.912 20 0 CCADLP C[C@@H](O)C[NH2+]CCCCCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001178345344 842815762 /nfs/dbraw/zinc/81/57/62/842815762.db2.gz FYDBMCHDYWOUAI-CYBMUJFWSA-N 2 2 296.415 0.989 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCCCCCC[NH2+]CCO ZINC001178349565 842817676 /nfs/dbraw/zinc/81/76/76/842817676.db2.gz DZGVACTXURXADR-UHFFFAOYSA-N 2 2 282.388 0.601 20 0 CCADLP C[C@H](O)C[NH2+]CCCCCCNC(=O)CCn1cc[nH+]c1 ZINC001179175765 842971369 /nfs/dbraw/zinc/97/13/69/842971369.db2.gz BVSOHBJLCUIERE-AWEZNQCLSA-N 2 2 296.415 0.920 20 0 CCADLP CC(C)OCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001180287675 843142514 /nfs/dbraw/zinc/14/25/14/843142514.db2.gz FBURVLCORSJBRP-KBPBESRZSA-N 2 2 294.399 0.887 20 0 CCADLP C[C@@H](C(=O)NCC1([NH+]2CCCC2)COC1)[NH+]1CCCC1 ZINC001180583268 843218044 /nfs/dbraw/zinc/21/80/44/843218044.db2.gz XILRDMXDAUELAP-ZDUSSCGKSA-N 2 2 281.400 0.452 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)[C@@H](C)[NH+]1CCCC1 ZINC001180582902 843218783 /nfs/dbraw/zinc/21/87/83/843218783.db2.gz SMLSQLFNVWCKPL-GFCCVEGCSA-N 2 2 280.372 0.630 20 0 CCADLP COCC[NH+]1CCN(C(=O)C2(C)CC[NH+](C)CC2)CC1 ZINC001181986640 843663237 /nfs/dbraw/zinc/66/32/37/843663237.db2.gz OQSOKVCNSZJSBL-UHFFFAOYSA-N 2 2 283.416 0.509 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@]1(C)C[NH2+]CCO ZINC001182750615 843900565 /nfs/dbraw/zinc/90/05/65/843900565.db2.gz OVTXBNZSVXFUEE-BXUZGUMPSA-N 2 2 280.372 0.019 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@]1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001182996884 843946510 /nfs/dbraw/zinc/94/65/10/843946510.db2.gz KGPNKXFWPALDHE-LALPHHSUSA-N 2 2 294.399 0.407 20 0 CCADLP CC(C)OCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001183126025 843964451 /nfs/dbraw/zinc/96/44/51/843964451.db2.gz PDZQJYWHSMHWDH-CQSZACIVSA-N 2 2 294.399 0.958 20 0 CCADLP CC(C)OCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001183126025 843964454 /nfs/dbraw/zinc/96/44/54/843964454.db2.gz PDZQJYWHSMHWDH-CQSZACIVSA-N 2 2 294.399 0.958 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001187090534 844649641 /nfs/dbraw/zinc/64/96/41/844649641.db2.gz BIPKHGVIUMAAFB-LLVKDONJSA-N 2 2 280.372 0.524 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001187290923 844686991 /nfs/dbraw/zinc/68/69/91/844686991.db2.gz CQRPCURRJWRBMT-LLVKDONJSA-N 2 2 297.428 0.570 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001187290923 844686995 /nfs/dbraw/zinc/68/69/95/844686995.db2.gz CQRPCURRJWRBMT-LLVKDONJSA-N 2 2 297.428 0.570 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001188376803 844875927 /nfs/dbraw/zinc/87/59/27/844875927.db2.gz QUTVDVFDZJWYNQ-JHSHHRBUSA-N 2 2 268.748 0.826 20 0 CCADLP COC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189873186 845243371 /nfs/dbraw/zinc/24/33/71/845243371.db2.gz CQVZOQSVNCRFQC-QWHCGFSZSA-N 2 2 294.399 0.910 20 0 CCADLP COC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189873186 845243385 /nfs/dbraw/zinc/24/33/85/845243385.db2.gz CQVZOQSVNCRFQC-QWHCGFSZSA-N 2 2 294.399 0.910 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+]([C@@H](C)[C@@H](C)O)CC2)c1 ZINC001190871905 845529646 /nfs/dbraw/zinc/52/96/46/845529646.db2.gz CNUKJGIBJLBFNC-NWDGAFQWSA-N 2 2 265.357 0.982 20 0 CCADLP CO[C@@H](C)C[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192552255 845869209 /nfs/dbraw/zinc/86/92/09/845869209.db2.gz YRIBDOZZVMXEDN-AAEUAGOBSA-N 2 2 280.372 0.520 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192552255 845869214 /nfs/dbraw/zinc/86/92/14/845869214.db2.gz YRIBDOZZVMXEDN-AAEUAGOBSA-N 2 2 280.372 0.520 20 0 CCADLP COCCCC[N@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193047282 845963516 /nfs/dbraw/zinc/96/35/16/845963516.db2.gz DTPWEHJUOXEMAQ-ZDUSSCGKSA-N 2 2 294.399 0.912 20 0 CCADLP COCCCC[N@@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193047282 845963522 /nfs/dbraw/zinc/96/35/22/845963522.db2.gz DTPWEHJUOXEMAQ-ZDUSSCGKSA-N 2 2 294.399 0.912 20 0 CCADLP CC(C)OCC[N@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193068887 845972245 /nfs/dbraw/zinc/97/22/45/845972245.db2.gz VLCJDMKREGCDQO-CYBMUJFWSA-N 2 2 294.399 0.910 20 0 CCADLP CC(C)OCC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193068887 845972253 /nfs/dbraw/zinc/97/22/53/845972253.db2.gz VLCJDMKREGCDQO-CYBMUJFWSA-N 2 2 294.399 0.910 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2ccc(F)cn2)C1 ZINC001205673863 846365632 /nfs/dbraw/zinc/36/56/32/846365632.db2.gz UYMQGWUXQCHFFN-ZDUSSCGKSA-N 2 2 253.321 0.896 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001205673863 846365639 /nfs/dbraw/zinc/36/56/39/846365639.db2.gz UYMQGWUXQCHFFN-ZDUSSCGKSA-N 2 2 253.321 0.896 20 0 CCADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[NH2+]Cc1ncccn1 ZINC001152138114 846383937 /nfs/dbraw/zinc/38/39/37/846383937.db2.gz RTMJGPXFRZFOJK-STQMWFEESA-N 2 2 291.399 0.555 20 0 CCADLP O=C(CC[NH+]1CCCCC1)NCC[NH2+]Cc1csnn1 ZINC001152340570 846925809 /nfs/dbraw/zinc/92/58/09/846925809.db2.gz RVFCJXIWQXFHKE-UHFFFAOYSA-N 2 2 297.428 0.620 20 0 CCADLP C[C@H]1CC[C@H](C[NH3+])[N@H+](Cc2c[nH]c(=O)[nH]c2=O)C1 ZINC001205826991 847048145 /nfs/dbraw/zinc/04/81/45/847048145.db2.gz FJNLIJWZPSXLIF-WCBMZHEXSA-N 2 2 252.318 0.447 20 0 CCADLP C[C@H]1CC[C@H](C[NH3+])[N@@H+](Cc2c[nH]c(=O)[nH]c2=O)C1 ZINC001205826991 847048148 /nfs/dbraw/zinc/04/81/48/847048148.db2.gz FJNLIJWZPSXLIF-WCBMZHEXSA-N 2 2 252.318 0.447 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO ZINC001110506359 847088230 /nfs/dbraw/zinc/08/82/30/847088230.db2.gz OOQNMWNVVZUQID-UTUOFQBUSA-N 2 2 278.356 0.056 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001110506359 847088238 /nfs/dbraw/zinc/08/82/38/847088238.db2.gz OOQNMWNVVZUQID-UTUOFQBUSA-N 2 2 278.356 0.056 20 0 CCADLP CCN(CC[NH2+]C[C@H]1CCOC1)C(=O)Cn1cc[nH+]c1 ZINC001273778731 847205855 /nfs/dbraw/zinc/20/58/55/847205855.db2.gz OWFQZRRVGZJOIK-CYBMUJFWSA-N 2 2 280.372 0.358 20 0 CCADLP CO[C@@H](C)C[NH2+]CCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001152618872 847343925 /nfs/dbraw/zinc/34/39/25/847343925.db2.gz TXSFMQFHEANYDU-JSGCOSHPSA-N 2 2 294.399 0.425 20 0 CCADLP C[C@@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)c1cnn(C)c1 ZINC001253406624 848210182 /nfs/dbraw/zinc/21/01/82/848210182.db2.gz RZVAQOXBYSOWOA-PWSUYJOCSA-N 2 2 254.378 0.820 20 0 CCADLP COCC[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001274980022 848605431 /nfs/dbraw/zinc/60/54/31/848605431.db2.gz ADARSNGZWVVATD-HNNXBMFYSA-N 2 2 283.416 0.509 20 0 CCADLP COCC[N@H+]1CCC[C@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001274980022 848605433 /nfs/dbraw/zinc/60/54/33/848605433.db2.gz ADARSNGZWVVATD-HNNXBMFYSA-N 2 2 283.416 0.509 20 0 CCADLP COCC[NH+]1CCC[C@]2(CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001274980022 848605440 /nfs/dbraw/zinc/60/54/40/848605440.db2.gz ADARSNGZWVVATD-HNNXBMFYSA-N 2 2 283.416 0.509 20 0 CCADLP COCC[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001274980022 848605445 /nfs/dbraw/zinc/60/54/45/848605445.db2.gz ADARSNGZWVVATD-HNNXBMFYSA-N 2 2 283.416 0.509 20 0 CCADLP Cn1c[nH+]cc1CN1CC2(C1)CC[N@H+](Cc1cn[nH]c1)C2 ZINC001276144739 848938227 /nfs/dbraw/zinc/93/82/27/848938227.db2.gz DGXUZDMPKAXWCQ-UHFFFAOYSA-N 2 2 286.383 0.851 20 0 CCADLP Cn1c[nH+]cc1CN1CC2(C1)CC[N@@H+](Cc1cn[nH]c1)C2 ZINC001276144739 848938233 /nfs/dbraw/zinc/93/82/33/848938233.db2.gz DGXUZDMPKAXWCQ-UHFFFAOYSA-N 2 2 286.383 0.851 20 0 CCADLP Cc1nccnc1C[NH+]1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001276164100 848945053 /nfs/dbraw/zinc/94/50/53/848945053.db2.gz SXCMEMIGPGMLTB-UHFFFAOYSA-N 2 2 275.400 0.464 20 0 CCADLP C[NH+](C)CCN1CC2(C1)CCC[N@H+](Cc1cnc[nH]1)C2 ZINC001276204113 848960785 /nfs/dbraw/zinc/96/07/85/848960785.db2.gz MPDJBRFNFHEWJS-UHFFFAOYSA-N 2 2 277.416 0.869 20 0 CCADLP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1cnc[nH]1)C2 ZINC001276204113 848960790 /nfs/dbraw/zinc/96/07/90/848960790.db2.gz MPDJBRFNFHEWJS-UHFFFAOYSA-N 2 2 277.416 0.869 20 0 CCADLP C[NH+](C)CCN1CC2(C1)CCC[N@H+](Cc1c[nH]cn1)C2 ZINC001276204113 848960793 /nfs/dbraw/zinc/96/07/93/848960793.db2.gz MPDJBRFNFHEWJS-UHFFFAOYSA-N 2 2 277.416 0.869 20 0 CCADLP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1c[nH]cn1)C2 ZINC001276204113 848960797 /nfs/dbraw/zinc/96/07/97/848960797.db2.gz MPDJBRFNFHEWJS-UHFFFAOYSA-N 2 2 277.416 0.869 20 0 CCADLP COC(=O)CCS(=O)(=O)CC[C@H](C)[NH2+]C(C)(C)C[NH3+] ZINC001257913906 849103446 /nfs/dbraw/zinc/10/34/46/849103446.db2.gz GSAAPXLYMQCJCH-JTQLQIEISA-N 2 2 294.417 0.070 20 0 CCADLP CC(C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH+]ccn1C ZINC001114606073 849308537 /nfs/dbraw/zinc/30/85/37/849308537.db2.gz AZAAZZRLEAPHBU-JYAVWHMHSA-N 2 2 276.384 0.808 20 0 CCADLP CC(C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH+]ccn1C ZINC001114606073 849308540 /nfs/dbraw/zinc/30/85/40/849308540.db2.gz AZAAZZRLEAPHBU-JYAVWHMHSA-N 2 2 276.384 0.808 20 0 CCADLP CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001037084488 849328212 /nfs/dbraw/zinc/32/82/12/849328212.db2.gz ADHKDFLQPATCJF-JQWIXIFHSA-N 2 2 250.346 0.847 20 0 CCADLP CC[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1[NH2+]CCO ZINC001037855645 849599021 /nfs/dbraw/zinc/59/90/21/849599021.db2.gz WFVLZMGJZMMYOB-GXTWGEPZSA-N 2 2 294.399 0.551 20 0 CCADLP CC[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1[NH2+]CCO ZINC001037855645 849599023 /nfs/dbraw/zinc/59/90/23/849599023.db2.gz WFVLZMGJZMMYOB-GXTWGEPZSA-N 2 2 294.399 0.551 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+]2CCCF)C1 ZINC001039046229 850135820 /nfs/dbraw/zinc/13/58/20/850135820.db2.gz LGEFBVFZZDUWBD-CHWSQXEVSA-N 2 2 287.379 0.257 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+]2CCCF)C1 ZINC001039046229 850135833 /nfs/dbraw/zinc/13/58/33/850135833.db2.gz LGEFBVFZZDUWBD-CHWSQXEVSA-N 2 2 287.379 0.257 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@@H+]2CCCF)C1 ZINC001039046229 850135841 /nfs/dbraw/zinc/13/58/41/850135841.db2.gz LGEFBVFZZDUWBD-CHWSQXEVSA-N 2 2 287.379 0.257 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@H]2CC[N@H+]2CCCF)C1 ZINC001039046229 850135855 /nfs/dbraw/zinc/13/58/55/850135855.db2.gz LGEFBVFZZDUWBD-CHWSQXEVSA-N 2 2 287.379 0.257 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC2(C1)CC[NH+](CCO)CC2 ZINC001040870882 850324865 /nfs/dbraw/zinc/32/48/65/850324865.db2.gz ZWWMIWPQLYABPH-UHFFFAOYSA-N 2 2 292.383 0.259 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]2CC[N@@H+](CCF)[C@H]2C1 ZINC001042379134 850622272 /nfs/dbraw/zinc/62/22/72/850622272.db2.gz GKVIZUFQBUEJQK-STQMWFEESA-N 2 2 280.347 0.775 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]2CC[N@H+](CCF)[C@H]2C1 ZINC001042379134 850622275 /nfs/dbraw/zinc/62/22/75/850622275.db2.gz GKVIZUFQBUEJQK-STQMWFEESA-N 2 2 280.347 0.775 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042546039 850692191 /nfs/dbraw/zinc/69/21/91/850692191.db2.gz PEONKKAXHFFCOU-AAEUAGOBSA-N 2 2 269.389 0.258 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001042546039 850692196 /nfs/dbraw/zinc/69/21/96/850692196.db2.gz PEONKKAXHFFCOU-AAEUAGOBSA-N 2 2 269.389 0.258 20 0 CCADLP C[C@@H](O)C[NH+]1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001043219611 850837288 /nfs/dbraw/zinc/83/72/88/850837288.db2.gz JTVHZGCFQISHGL-GFCCVEGCSA-N 2 2 281.400 0.138 20 0 CCADLP CC[NH+]1CC(N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001043884988 850956015 /nfs/dbraw/zinc/95/60/15/850956015.db2.gz HQVQUYDVBXYRJM-UHFFFAOYSA-N 2 2 253.390 0.881 20 0 CCADLP CC[NH+]1CC(N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001043884988 850956019 /nfs/dbraw/zinc/95/60/19/850956019.db2.gz HQVQUYDVBXYRJM-UHFFFAOYSA-N 2 2 253.390 0.881 20 0 CCADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1C[NH+](CC[C@@H]2CCCO2)C1 ZINC001043974471 850975996 /nfs/dbraw/zinc/97/59/96/850975996.db2.gz DANVHULPHZFRCC-AWEZNQCLSA-N 2 2 292.383 0.664 20 0 CCADLP CC[C@@H](C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001044317080 851075299 /nfs/dbraw/zinc/07/52/99/851075299.db2.gz HQGPMBMXNDJQNH-HIFRSBDPSA-N 2 2 297.443 0.896 20 0 CCADLP CC[C@@H](C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001044317080 851075309 /nfs/dbraw/zinc/07/53/09/851075309.db2.gz HQGPMBMXNDJQNH-HIFRSBDPSA-N 2 2 297.443 0.896 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001045899934 851330202 /nfs/dbraw/zinc/33/02/02/851330202.db2.gz SIXLCUZKRLZJBG-OLZOCXBDSA-N 2 2 280.347 0.918 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001045899934 851330209 /nfs/dbraw/zinc/33/02/09/851330209.db2.gz SIXLCUZKRLZJBG-OLZOCXBDSA-N 2 2 280.347 0.918 20 0 CCADLP C[C@]1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[N@H+](CCO)C1 ZINC001046434830 851502562 /nfs/dbraw/zinc/50/25/62/851502562.db2.gz SCKAMZRWSSSNFL-DOMZBBRYSA-N 2 2 292.383 0.018 20 0 CCADLP C[C@]1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[N@@H+](CCO)C1 ZINC001046434830 851502565 /nfs/dbraw/zinc/50/25/65/851502565.db2.gz SCKAMZRWSSSNFL-DOMZBBRYSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCO)C2 ZINC001047170539 851677639 /nfs/dbraw/zinc/67/76/39/851677639.db2.gz FFEAHUFCZNUXLG-AVGNSLFASA-N 2 2 292.383 0.304 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCO)C2 ZINC001047170539 851677640 /nfs/dbraw/zinc/67/76/40/851677640.db2.gz FFEAHUFCZNUXLG-AVGNSLFASA-N 2 2 292.383 0.304 20 0 CCADLP CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC001048001376 851881841 /nfs/dbraw/zinc/88/18/41/851881841.db2.gz SEHAPQDODYPOGY-UONOGXRCSA-N 2 2 297.443 0.944 20 0 CCADLP CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001048074771 851888737 /nfs/dbraw/zinc/88/87/37/851888737.db2.gz RAGAANYBLYNIOK-NWDGAFQWSA-N 2 2 250.346 0.730 20 0 CCADLP CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2C1 ZINC001049068217 852156567 /nfs/dbraw/zinc/15/65/67/852156567.db2.gz NSNQZAJUMPNPFQ-XJFOESAGSA-N 2 2 288.395 0.934 20 0 CCADLP CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2C1 ZINC001049068217 852156571 /nfs/dbraw/zinc/15/65/71/852156571.db2.gz NSNQZAJUMPNPFQ-XJFOESAGSA-N 2 2 288.395 0.934 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@H+](C[C@@H](C)O)C[C@@H]2C1 ZINC001049190042 852187746 /nfs/dbraw/zinc/18/77/46/852187746.db2.gz FYXNLQPOKKJUOW-RTXFEEFZSA-N 2 2 292.383 0.032 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2C1 ZINC001049190042 852187754 /nfs/dbraw/zinc/18/77/54/852187754.db2.gz FYXNLQPOKKJUOW-RTXFEEFZSA-N 2 2 292.383 0.032 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001052824438 852658461 /nfs/dbraw/zinc/65/84/61/852658461.db2.gz XSNJEDPZCDSNCI-NEPJUHHUSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001052824438 852658464 /nfs/dbraw/zinc/65/84/64/852658464.db2.gz XSNJEDPZCDSNCI-NEPJUHHUSA-N 2 2 280.372 0.304 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1C)CCO2 ZINC001053429150 852742577 /nfs/dbraw/zinc/74/25/77/852742577.db2.gz HDGDNPUNAZDXQZ-STQMWFEESA-N 2 2 281.400 0.117 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)CCO2 ZINC001053429150 852742580 /nfs/dbraw/zinc/74/25/80/852742580.db2.gz HDGDNPUNAZDXQZ-STQMWFEESA-N 2 2 281.400 0.117 20 0 CCADLP CCCC[NH+]1CC2(C1)CN(C(=O)C[NH+]1CCCC1)CCO2 ZINC001053532448 852753438 /nfs/dbraw/zinc/75/34/38/852753438.db2.gz NBNSLUZTBMFKGU-UHFFFAOYSA-N 2 2 295.427 0.796 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)Cn1cc[nH+]c1C)CCO2 ZINC001053533093 852755815 /nfs/dbraw/zinc/75/58/15/852755815.db2.gz MVVINXFIXDNXQV-UHFFFAOYSA-N 2 2 292.383 0.515 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)CC[NH+]1CCCCC1)CCO2 ZINC001053542185 852755849 /nfs/dbraw/zinc/75/58/49/852755849.db2.gz VXYIMTDAUBZLKF-UHFFFAOYSA-N 2 2 295.427 0.796 20 0 CCADLP CC[NH2+][C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001054927231 853039667 /nfs/dbraw/zinc/03/96/67/853039667.db2.gz KGKDWTGIVJSXKW-NEPJUHHUSA-N 2 2 264.373 0.809 20 0 CCADLP C[NH2+]CCC1CC[NH+](C[C@H](O)C[N@H+](C)CCOC)CC1 ZINC000383811109 853080362 /nfs/dbraw/zinc/08/03/62/853080362.db2.gz BZPSLUHAYPONFU-OAHLLOKOSA-N 3 2 287.448 0.247 20 0 CCADLP C[NH2+]CCC1CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)CC1 ZINC000383811109 853080370 /nfs/dbraw/zinc/08/03/70/853080370.db2.gz BZPSLUHAYPONFU-OAHLLOKOSA-N 3 2 287.448 0.247 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1COCC[NH+]1CC1CC1 ZINC001050984176 853500516 /nfs/dbraw/zinc/50/05/16/853500516.db2.gz ZENCRICFGZHVCL-CABCVRRESA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1COCC[NH+]1CC1CC1 ZINC001050984176 853500519 /nfs/dbraw/zinc/50/05/19/853500519.db2.gz ZENCRICFGZHVCL-CABCVRRESA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1COCC[N@@H+]1CC1CC1 ZINC001050984176 853500522 /nfs/dbraw/zinc/50/05/22/853500522.db2.gz ZENCRICFGZHVCL-CABCVRRESA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1COCC[N@H+]1CC1CC1 ZINC001050984176 853500524 /nfs/dbraw/zinc/50/05/24/853500524.db2.gz ZENCRICFGZHVCL-CABCVRRESA-N 2 2 295.427 0.698 20 0 CCADLP CC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001051086824 853522275 /nfs/dbraw/zinc/52/22/75/853522275.db2.gz NEHSJQSUSROFTN-MELADBBJSA-N 2 2 283.416 0.554 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001051086824 853522246 /nfs/dbraw/zinc/52/22/46/853522246.db2.gz NEHSJQSUSROFTN-MELADBBJSA-N 2 2 283.416 0.554 20 0 CCADLP CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001051086824 853522255 /nfs/dbraw/zinc/52/22/55/853522255.db2.gz NEHSJQSUSROFTN-MELADBBJSA-N 2 2 283.416 0.554 20 0 CCADLP CC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001051086824 853522265 /nfs/dbraw/zinc/52/22/65/853522265.db2.gz NEHSJQSUSROFTN-MELADBBJSA-N 2 2 283.416 0.554 20 0 CCADLP CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CCO1 ZINC001051902410 853656586 /nfs/dbraw/zinc/65/65/86/853656586.db2.gz DXKGHKWIRJJBNJ-NSHDSACASA-N 2 2 280.372 0.524 20 0 CCADLP C[N@@H+]1CC[C@@H](N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC001255430671 853924912 /nfs/dbraw/zinc/92/49/12/853924912.db2.gz FNYRKKNXDBPNQS-OAHLLOKOSA-N 2 2 260.385 0.903 20 0 CCADLP C[N@H+]1CC[C@@H](N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC001255430671 853924919 /nfs/dbraw/zinc/92/49/19/853924919.db2.gz FNYRKKNXDBPNQS-OAHLLOKOSA-N 2 2 260.385 0.903 20 0 CCADLP C#CCC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000073228523 854071056 /nfs/dbraw/zinc/07/10/56/854071056.db2.gz VRVRRUBGDMBKOA-CQSZACIVSA-N 2 2 263.385 0.638 20 0 CCADLP C#CCC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000073228523 854071061 /nfs/dbraw/zinc/07/10/61/854071061.db2.gz VRVRRUBGDMBKOA-CQSZACIVSA-N 2 2 263.385 0.638 20 0 CCADLP COCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001072120502 854349893 /nfs/dbraw/zinc/34/98/93/854349893.db2.gz VGIKHKVXDLXNFQ-STQMWFEESA-N 2 2 280.372 0.499 20 0 CCADLP COCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001072120502 854349898 /nfs/dbraw/zinc/34/98/98/854349898.db2.gz VGIKHKVXDLXNFQ-STQMWFEESA-N 2 2 280.372 0.499 20 0 CCADLP COCC[N@@H+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001073016260 854515764 /nfs/dbraw/zinc/51/57/64/854515764.db2.gz PYFHCGWMKRXFLE-UHFFFAOYSA-N 2 2 278.356 0.133 20 0 CCADLP COCC[N@H+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001073016260 854515768 /nfs/dbraw/zinc/51/57/68/854515768.db2.gz PYFHCGWMKRXFLE-UHFFFAOYSA-N 2 2 278.356 0.133 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1CC[N@@H+](CC2CC2)C[C@@H]1O ZINC001099803655 854999887 /nfs/dbraw/zinc/99/98/87/854999887.db2.gz BISMKLYWOUBCPX-STQMWFEESA-N 2 2 292.383 0.304 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1CC[N@H+](CC2CC2)C[C@@H]1O ZINC001099803655 854999890 /nfs/dbraw/zinc/99/98/90/854999890.db2.gz BISMKLYWOUBCPX-STQMWFEESA-N 2 2 292.383 0.304 20 0 CCADLP CCCCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001100136137 855106391 /nfs/dbraw/zinc/10/63/91/855106391.db2.gz IECGESKDSJBMFL-UONOGXRCSA-N 2 2 294.399 0.625 20 0 CCADLP CCCCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001100136137 855106394 /nfs/dbraw/zinc/10/63/94/855106394.db2.gz IECGESKDSJBMFL-UONOGXRCSA-N 2 2 294.399 0.625 20 0 CCADLP CO[C@H](C)C[NH2+]C1CC(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001100293430 855139539 /nfs/dbraw/zinc/13/95/39/855139539.db2.gz SWTKZNQLKYMSTK-PNESKVBLSA-N 2 2 294.399 0.862 20 0 CCADLP CC[NH2+]C1CC(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001100392646 855160023 /nfs/dbraw/zinc/16/00/23/855160023.db2.gz SKXOGLORMOEQGT-UHFFFAOYSA-N 2 2 250.346 0.847 20 0 CCADLP CC[NH2+]C1CC(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001100392646 855160026 /nfs/dbraw/zinc/16/00/26/855160026.db2.gz SKXOGLORMOEQGT-UHFFFAOYSA-N 2 2 250.346 0.847 20 0 CCADLP C[C@H](CC(=O)NCC1CC([NH2+]CCO)C1)n1cc[nH+]c1 ZINC001100716760 855214138 /nfs/dbraw/zinc/21/41/38/855214138.db2.gz OZXUGHZOAWEDSU-PNESKVBLSA-N 2 2 280.372 0.311 20 0 CCADLP CO[C@H](C)C[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102616530 855452072 /nfs/dbraw/zinc/45/20/72/855452072.db2.gz GGVMETOGQVIEHH-MGPQQGTHSA-N 2 2 294.399 0.602 20 0 CCADLP CO[C@H](C)C[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102616530 855452075 /nfs/dbraw/zinc/45/20/75/855452075.db2.gz GGVMETOGQVIEHH-MGPQQGTHSA-N 2 2 294.399 0.602 20 0 CCADLP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cc[nH+]c1 ZINC001115340072 855663512 /nfs/dbraw/zinc/66/35/12/855663512.db2.gz KDQUWKOLTWDFLB-IMRBUKKESA-N 2 2 262.357 0.730 20 0 CCADLP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cc[nH+]c1 ZINC001115340072 855663513 /nfs/dbraw/zinc/66/35/13/855663513.db2.gz KDQUWKOLTWDFLB-IMRBUKKESA-N 2 2 262.357 0.730 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC001115339659 855663756 /nfs/dbraw/zinc/66/37/56/855663756.db2.gz BSJDCSZHZSHBNC-IMRBUKKESA-N 2 2 280.347 0.679 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001115339659 855663761 /nfs/dbraw/zinc/66/37/61/855663761.db2.gz BSJDCSZHZSHBNC-IMRBUKKESA-N 2 2 280.347 0.679 20 0 CCADLP O=C(NC[C@H]1CCC[NH2+]C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001118848206 856464984 /nfs/dbraw/zinc/46/49/84/856464984.db2.gz LYNHKHPQECYYAM-RYUDHWBXSA-N 2 2 262.357 0.561 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1CC[N@H+]1CCOC(C)C ZINC001392871743 912222502 /nfs/dbraw/zinc/22/25/02/912222502.db2.gz NYWGLUNWILHJQT-CQSZACIVSA-N 2 2 294.399 0.807 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1CC[N@@H+]1CCOC(C)C ZINC001392871743 912222521 /nfs/dbraw/zinc/22/25/21/912222521.db2.gz NYWGLUNWILHJQT-CQSZACIVSA-N 2 2 294.399 0.807 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)C1C[NH+](C[C@H](CC)OC)C1 ZINC001393020653 912333175 /nfs/dbraw/zinc/33/31/75/912333175.db2.gz LOHVQIHKNZDIKM-AWEZNQCLSA-N 2 2 285.432 0.896 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)C1C[NH+](C[C@H](CC)OC)C1 ZINC001393020653 912333196 /nfs/dbraw/zinc/33/31/96/912333196.db2.gz LOHVQIHKNZDIKM-AWEZNQCLSA-N 2 2 285.432 0.896 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001393046427 912352775 /nfs/dbraw/zinc/35/27/75/912352775.db2.gz JOTRJWZDKVQUMG-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP CC1(NC(=O)Cc2[nH]cc[nH+]2)CC[NH+](CCCO)CC1 ZINC001393071027 912365302 /nfs/dbraw/zinc/36/53/02/912365302.db2.gz QTDOZOSFXIVCLR-UHFFFAOYSA-N 2 2 280.372 0.305 20 0 CCADLP CC(=O)NC1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC001323703723 912485739 /nfs/dbraw/zinc/48/57/39/912485739.db2.gz PAKXZINCIWTPCM-UHFFFAOYSA-N 2 2 250.346 0.563 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2COCC[NH+]2CC2CC2)C1 ZINC001393527678 912628942 /nfs/dbraw/zinc/62/89/42/912628942.db2.gz OAQXXLGHUOOHAE-HIFRSBDPSA-N 2 2 295.427 0.555 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2COCC[NH+]2CC2CC2)C1 ZINC001393527678 912628957 /nfs/dbraw/zinc/62/89/57/912628957.db2.gz OAQXXLGHUOOHAE-HIFRSBDPSA-N 2 2 295.427 0.555 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2COCC[N@@H+]2CC2CC2)C1 ZINC001393527678 912628969 /nfs/dbraw/zinc/62/89/69/912628969.db2.gz OAQXXLGHUOOHAE-HIFRSBDPSA-N 2 2 295.427 0.555 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2COCC[N@H+]2CC2CC2)C1 ZINC001393527678 912628985 /nfs/dbraw/zinc/62/89/85/912628985.db2.gz OAQXXLGHUOOHAE-HIFRSBDPSA-N 2 2 295.427 0.555 20 0 CCADLP CO[C@@H](C)C[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CCC1 ZINC001393549865 912639671 /nfs/dbraw/zinc/63/96/71/912639671.db2.gz PLYNNWLICZNCSX-ZDUSSCGKSA-N 2 2 294.399 0.937 20 0 CCADLP CN(CCC[N@H+](C)C[C@@H]1CCOC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001393645022 912696616 /nfs/dbraw/zinc/69/66/16/912696616.db2.gz XGBSRTUKZNCLQY-ZDUSSCGKSA-N 2 2 294.399 0.769 20 0 CCADLP CN(CCC[N@@H+](C)C[C@@H]1CCOC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001393645022 912696625 /nfs/dbraw/zinc/69/66/25/912696625.db2.gz XGBSRTUKZNCLQY-ZDUSSCGKSA-N 2 2 294.399 0.769 20 0 CCADLP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cccnc1 ZINC001393832843 912785857 /nfs/dbraw/zinc/78/58/57/912785857.db2.gz DPGRLDCCEXHCOO-ZDUSSCGKSA-N 2 2 287.367 0.963 20 0 CCADLP CC(C)[C@@H](CCN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]C[C@H](C)O ZINC001394192916 913064347 /nfs/dbraw/zinc/06/43/47/913064347.db2.gz UCDDSNRCJKVTBA-GXTWGEPZSA-N 2 2 296.415 0.796 20 0 CCADLP CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+]Cc1nc(C)no1 ZINC001394540976 913246712 /nfs/dbraw/zinc/24/67/12/913246712.db2.gz NCSOWVYWKGGRLM-LLVKDONJSA-N 2 2 297.403 0.656 20 0 CCADLP CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+]Cc1nc(C)no1 ZINC001394540976 913246743 /nfs/dbraw/zinc/24/67/43/913246743.db2.gz NCSOWVYWKGGRLM-LLVKDONJSA-N 2 2 297.403 0.656 20 0 CCADLP COC(=O)c1cccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)c1 ZINC001325273170 913313193 /nfs/dbraw/zinc/31/31/93/913313193.db2.gz POUNBABGYZMSAL-ZDUSSCGKSA-N 2 2 264.325 0.551 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C(C)(C)C ZINC001394818840 913451839 /nfs/dbraw/zinc/45/18/39/913451839.db2.gz BQSNLXAJUXVPNX-WCQYABFASA-N 2 2 296.415 0.844 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C(C)(C)C ZINC001394818840 913451853 /nfs/dbraw/zinc/45/18/53/913451853.db2.gz BQSNLXAJUXVPNX-WCQYABFASA-N 2 2 296.415 0.844 20 0 CCADLP CCC[N@H+](C)CCNC(=O)CCc1c[nH+]cn1C ZINC001492835187 913522650 /nfs/dbraw/zinc/52/26/50/913522650.db2.gz GUUQDMDOESKPTN-UHFFFAOYSA-N 2 2 252.362 0.811 20 0 CCADLP CCC[N@@H+](C)CCNC(=O)CCc1c[nH+]cn1C ZINC001492835187 913522666 /nfs/dbraw/zinc/52/26/66/913522666.db2.gz GUUQDMDOESKPTN-UHFFFAOYSA-N 2 2 252.362 0.811 20 0 CCADLP C[N@H+](CCNC(=O)CCn1cc[nH+]c1)CCn1cccn1 ZINC001480896999 891706457 /nfs/dbraw/zinc/70/64/57/891706457.db2.gz NGOHQQYILSZMPQ-UHFFFAOYSA-N 2 2 290.371 0.218 20 0 CCADLP C[N@@H+](CCNC(=O)CCn1cc[nH+]c1)CCn1cccn1 ZINC001480896999 891706467 /nfs/dbraw/zinc/70/64/67/891706467.db2.gz NGOHQQYILSZMPQ-UHFFFAOYSA-N 2 2 290.371 0.218 20 0 CCADLP Cc1ncc(C[N@H+](C)CCNC(=O)[C@H]2CC[NH+](C)C2)o1 ZINC001480946956 891924218 /nfs/dbraw/zinc/92/42/18/891924218.db2.gz ZQDMXMHIUJHSED-LBPRGKRZSA-N 2 2 280.372 0.483 20 0 CCADLP Cc1ncc(C[N@@H+](C)CCNC(=O)[C@H]2CC[NH+](C)C2)o1 ZINC001480946956 891924228 /nfs/dbraw/zinc/92/42/28/891924228.db2.gz ZQDMXMHIUJHSED-LBPRGKRZSA-N 2 2 280.372 0.483 20 0 CCADLP Cc1ncc(C[NH+](C)CCNC(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001480946956 891924237 /nfs/dbraw/zinc/92/42/37/891924237.db2.gz ZQDMXMHIUJHSED-LBPRGKRZSA-N 2 2 280.372 0.483 20 0 CCADLP Cc1ncc(C[NH+](C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001480946956 891924245 /nfs/dbraw/zinc/92/42/45/891924245.db2.gz ZQDMXMHIUJHSED-LBPRGKRZSA-N 2 2 280.372 0.483 20 0 CCADLP C[C@@H](CC(=O)NC[C@H]1CCC[N@@H+]1CCO)n1cc[nH+]c1 ZINC001481059231 892120671 /nfs/dbraw/zinc/12/06/71/892120671.db2.gz MQUAWUFNYJKFGI-QWHCGFSZSA-N 2 2 280.372 0.407 20 0 CCADLP C[C@@H](CC(=O)NC[C@H]1CCC[N@H+]1CCO)n1cc[nH+]c1 ZINC001481059231 892120677 /nfs/dbraw/zinc/12/06/77/892120677.db2.gz MQUAWUFNYJKFGI-QWHCGFSZSA-N 2 2 280.372 0.407 20 0 CCADLP COCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC001284017494 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C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1(C[NH3+])CCC1 ZINC001343503833 892938703 /nfs/dbraw/zinc/93/87/03/892938703.db2.gz BROVOBSGGOWDRS-SNVBAGLBSA-N 2 2 250.346 0.928 20 0 CCADLP CCC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001284446856 893563363 /nfs/dbraw/zinc/56/33/63/893563363.db2.gz PZGCXVUPXCSNMY-CHWSQXEVSA-N 2 2 282.388 0.653 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001482349298 893902324 /nfs/dbraw/zinc/90/23/24/893902324.db2.gz UCLHNOHVYYGUPV-GHMZBOCLSA-N 2 2 268.361 0.424 20 0 CCADLP COCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001482501784 894164891 /nfs/dbraw/zinc/16/48/91/894164891.db2.gz UAYWKWUCDWIHIA-KBPBESRZSA-N 2 2 294.399 0.746 20 0 CCADLP CC(C)[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]CCO ZINC001482535302 894203035 /nfs/dbraw/zinc/20/30/35/894203035.db2.gz YLUKPMSAEWVDGH-LBPRGKRZSA-N 2 2 268.361 0.065 20 0 CCADLP CC(C)[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]CCO ZINC001482535302 894203049 /nfs/dbraw/zinc/20/30/49/894203049.db2.gz YLUKPMSAEWVDGH-LBPRGKRZSA-N 2 2 268.361 0.065 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]1CCC[NH2+]1 ZINC001358154541 894214046 /nfs/dbraw/zinc/21/40/46/894214046.db2.gz JGXPYORGIMBMNR-OLZOCXBDSA-N 2 2 269.389 0.356 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)C[NH2+]CC[C@H](C)F ZINC001482788801 894602165 /nfs/dbraw/zinc/60/21/65/894602165.db2.gz QUIPQRYBCCIBFQ-GXSJLCMTSA-N 2 2 286.351 0.075 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC/C=C/C[NH2+]CC[C@H]1CCCO1 ZINC001483065047 894869110 /nfs/dbraw/zinc/86/91/10/894869110.db2.gz OZCOAEUMGQNIDQ-VSZDKKFSSA-N 2 2 292.383 0.783 20 0 CCADLP Cc1oncc1C[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001409471137 895194700 /nfs/dbraw/zinc/19/47/00/895194700.db2.gz OKVUDYAWCAUTMN-GHMZBOCLSA-N 2 2 291.355 0.863 20 0 CCADLP CN(CCC[NH2+]CCF)C(=O)CCc1[nH+]ccn1C ZINC001483481901 895600579 /nfs/dbraw/zinc/60/05/79/895600579.db2.gz GFKABGNJJSKFEJ-UHFFFAOYSA-N 2 2 270.352 0.760 20 0 CCADLP Cc1nnc(C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C2CC2)o1 ZINC001483585431 895666228 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CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1csnn1 ZINC001485206167 896862792 /nfs/dbraw/zinc/86/27/92/896862792.db2.gz HPDIVYYREDQRKC-MNOVXSKESA-N 2 2 299.444 0.863 20 0 CCADLP CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1csnn1 ZINC001485206167 896862807 /nfs/dbraw/zinc/86/28/07/896862807.db2.gz HPDIVYYREDQRKC-MNOVXSKESA-N 2 2 299.444 0.863 20 0 CCADLP CC[C@H](C(=O)NC1(CCO)C[NH+](CC2CC2)C1)[NH+](C)C ZINC001485409887 897031008 /nfs/dbraw/zinc/03/10/08/897031008.db2.gz OVWVVFGYLJRPKU-CYBMUJFWSA-N 2 2 283.416 0.290 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)CC[NH2+]CCO)ccn12 ZINC001272784573 897669681 /nfs/dbraw/zinc/66/96/81/897669681.db2.gz XCPWNDGUBYVQKQ-LLVKDONJSA-N 2 2 290.367 0.733 20 0 CCADLP CC(C)=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078007206 898174419 /nfs/dbraw/zinc/17/44/19/898174419.db2.gz MBQRUFKBAXWJGT-ZIAGYGMSSA-N 2 2 292.383 0.090 20 0 CCADLP CC(C)=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001078007206 898174425 /nfs/dbraw/zinc/17/44/25/898174425.db2.gz MBQRUFKBAXWJGT-ZIAGYGMSSA-N 2 2 292.383 0.090 20 0 CCADLP CC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCCO1 ZINC001078492083 898394269 /nfs/dbraw/zinc/39/42/69/898394269.db2.gz GIYCYYNJRNTXGK-NSHDSACASA-N 2 2 266.345 0.179 20 0 CCADLP Cc1cc(C)c(C(=O)NC[C@@H](CO)[NH2+]C[C@@H](C)O)c(C)[nH+]1 ZINC001410694241 899537459 /nfs/dbraw/zinc/53/74/59/899537459.db2.gz DZSMEJAWTLQKCS-YPMHNXCESA-N 2 2 295.383 0.068 20 0 CCADLP C[C@@H](CCCC[NH2+][C@@H](C)C(N)=O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175874372 899971073 /nfs/dbraw/zinc/97/10/73/899971073.db2.gz SEOOTOOOANMCNF-QWRGUYRKSA-N 2 2 295.387 0.091 20 0 CCADLP C[C@H](CS(C)(=O)=O)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC001325903815 900046122 /nfs/dbraw/zinc/04/61/22/900046122.db2.gz QXHRBMKNYGWZAA-ZJUUUORDSA-N 2 2 257.359 0.221 20 0 CCADLP C[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)Cc1ccccn1 ZINC001490261388 900595231 /nfs/dbraw/zinc/59/52/31/900595231.db2.gz MGIUPPITYGZFLZ-UHFFFAOYSA-N 2 2 287.367 0.986 20 0 CCADLP C[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)Cc1ccccn1 ZINC001490261388 900595236 /nfs/dbraw/zinc/59/52/36/900595236.db2.gz MGIUPPITYGZFLZ-UHFFFAOYSA-N 2 2 287.367 0.986 20 0 CCADLP COCCC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001490454494 900642745 /nfs/dbraw/zinc/64/27/45/900642745.db2.gz HAIKGNNEJJBVCT-ZDUSSCGKSA-N 2 2 294.399 0.580 20 0 CCADLP COCCC[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001490454494 900642753 /nfs/dbraw/zinc/64/27/53/900642753.db2.gz HAIKGNNEJJBVCT-ZDUSSCGKSA-N 2 2 294.399 0.580 20 0 CCADLP COC[C@@H](C)[NH2+][C@H](CNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001490737537 900711817 /nfs/dbraw/zinc/71/18/17/900711817.db2.gz LCWJOTXWJMJPJF-QMTHXVAHSA-N 2 2 294.399 0.780 20 0 CCADLP C[C@H]([NH2+][C@H]1C[C@@H]2COC[C@@H]21)[C@H]1C[N@H+](C)CCN1C ZINC001308948202 901240157 /nfs/dbraw/zinc/24/01/57/901240157.db2.gz LGYNBTWSXJZROL-ZUWCUPBKSA-N 2 2 253.390 0.245 20 0 CCADLP C[C@H]([NH2+][C@H]1C[C@@H]2COC[C@@H]21)[C@H]1C[N@@H+](C)CCN1C ZINC001308948202 901240171 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Cc1cc(NC(=O)N(C)CC[N@H+](C)CCO)c(C)c[nH+]1 ZINC001413542657 903029122 /nfs/dbraw/zinc/02/91/22/903029122.db2.gz SHPCSAGREVLLMN-UHFFFAOYSA-N 2 2 280.372 0.508 20 0 CCADLP Cc1cc(NC(=O)N(C)CC[N@@H+](C)CCO)c(C)c[nH+]1 ZINC001413542657 903029137 /nfs/dbraw/zinc/02/91/37/903029137.db2.gz SHPCSAGREVLLMN-UHFFFAOYSA-N 2 2 280.372 0.508 20 0 CCADLP COc1nccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)n1 ZINC001462119121 903043012 /nfs/dbraw/zinc/04/30/12/903043012.db2.gz GYDIAEBBSPHIJN-SNVBAGLBSA-N 2 2 259.313 0.786 20 0 CCADLP C[C@@H](CC(=O)NC1CCC([NH2+]CCO)CC1)n1cc[nH+]c1 ZINC001491363983 903508879 /nfs/dbraw/zinc/50/88/79/903508879.db2.gz LJVIUKKDKSWCOF-HSBZDZAISA-N 2 2 294.399 0.844 20 0 CCADLP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC001329976423 903875741 /nfs/dbraw/zinc/87/57/41/903875741.db2.gz DLFPGEJASGGKSM-VHSXEESVSA-N 2 2 251.334 0.168 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001398725275 914810804 /nfs/dbraw/zinc/81/08/04/914810804.db2.gz LSJCLTDIVKOTOI-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H](O)C[N@@H+]1CCC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001377412658 904858687 /nfs/dbraw/zinc/85/86/87/904858687.db2.gz HMPOUKDNABWJKP-JSGCOSHPSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@H](O)C[N@H+]1CCC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001377412658 904858707 /nfs/dbraw/zinc/85/87/07/904858707.db2.gz HMPOUKDNABWJKP-JSGCOSHPSA-N 2 2 294.399 0.314 20 0 CCADLP C[N@H+](CCO)C[C@@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001377682141 905099315 /nfs/dbraw/zinc/09/93/15/905099315.db2.gz FXABHBSIINNXCB-LBPRGKRZSA-N 2 2 294.399 0.602 20 0 CCADLP C[N@@H+](CCO)C[C@@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001377682141 905099333 /nfs/dbraw/zinc/09/93/33/905099333.db2.gz FXABHBSIINNXCB-LBPRGKRZSA-N 2 2 294.399 0.602 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC1CC(C[NH2+]C[C@H](C)O)C1 ZINC001377733157 905120949 /nfs/dbraw/zinc/12/09/49/905120949.db2.gz ZOQKYKZARADZHQ-GCVQQVDUSA-N 2 2 280.372 0.126 20 0 CCADLP C[C@H](O)C[NH+]1CC(NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001377903913 905228117 /nfs/dbraw/zinc/22/81/17/905228117.db2.gz XWKMBSACBHNPDA-LBPRGKRZSA-N 2 2 297.443 0.821 20 0 CCADLP C[C@H](O)C[NH+]1CC(NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001377903913 905228134 /nfs/dbraw/zinc/22/81/34/905228134.db2.gz XWKMBSACBHNPDA-LBPRGKRZSA-N 2 2 297.443 0.821 20 0 CCADLP CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001284449033 905302107 /nfs/dbraw/zinc/30/21/07/905302107.db2.gz ZDVOHTXGPMMFGU-JHJVBQTASA-N 2 2 294.399 0.343 20 0 CCADLP CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cnsn1 ZINC001378305158 905580646 /nfs/dbraw/zinc/58/06/46/905580646.db2.gz SWGSOCRMOGIXLO-ZYHUDNBSSA-N 2 2 297.428 0.617 20 0 CCADLP CC[C@H](C[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1)OC ZINC001378514767 905648813 /nfs/dbraw/zinc/64/88/13/905648813.db2.gz WZUQUWWNGGGEGV-ZIAGYGMSSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H](NC(=O)C1([NH+](C)C)CCC1)C1C[NH+](CCF)C1 ZINC001378539125 905671123 /nfs/dbraw/zinc/67/11/23/905671123.db2.gz ZKPLCWLBKIEZFY-NSHDSACASA-N 2 2 271.380 0.877 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](CCO)CC1(C)C ZINC001378670420 905747000 /nfs/dbraw/zinc/74/70/00/905747000.db2.gz ZGBIBCFZQSUXAY-CYBMUJFWSA-N 2 2 294.399 0.172 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](CCO)CC1(C)C ZINC001378670420 905747008 /nfs/dbraw/zinc/74/70/08/905747008.db2.gz ZGBIBCFZQSUXAY-CYBMUJFWSA-N 2 2 294.399 0.172 20 0 CCADLP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1cnsn1)[NH+](C)C ZINC001378784582 905816773 /nfs/dbraw/zinc/81/67/73/905816773.db2.gz ZDNAUKPIVGWKRW-ZYHUDNBSSA-N 2 2 299.444 0.815 20 0 CCADLP CC(C)[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]C[C@H](C)O ZINC001378969799 905904221 /nfs/dbraw/zinc/90/42/21/905904221.db2.gz HCNYQZUAUVTPPQ-STQMWFEESA-N 2 2 282.388 0.384 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)CCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001379055263 905959196 /nfs/dbraw/zinc/95/91/96/905959196.db2.gz QDJDNFRHLIAMLU-LBPRGKRZSA-N 2 2 282.388 0.767 20 0 CCADLP CO[C@@H](C)C[N@H+](C)CCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001379055263 905959187 /nfs/dbraw/zinc/95/91/87/905959187.db2.gz QDJDNFRHLIAMLU-LBPRGKRZSA-N 2 2 282.388 0.767 20 0 CCADLP CO[C@@H](C)C[N@H+](C)CCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001379055263 905959205 /nfs/dbraw/zinc/95/92/05/905959205.db2.gz QDJDNFRHLIAMLU-LBPRGKRZSA-N 2 2 282.388 0.767 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)CCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001379055263 905959211 /nfs/dbraw/zinc/95/92/11/905959211.db2.gz QDJDNFRHLIAMLU-LBPRGKRZSA-N 2 2 282.388 0.767 20 0 CCADLP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1nnc(C)o1)[NH+](C)C ZINC001379232842 906080455 /nfs/dbraw/zinc/08/04/55/906080455.db2.gz GSQDEWFBHSNHBK-CMPLNLGQSA-N 2 2 297.403 0.655 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N[C@H](C)C[NH2+]C[C@@H](C)OC ZINC001379381608 906199600 /nfs/dbraw/zinc/19/96/00/906199600.db2.gz DUPHNYXIOFIOOJ-VXGBXAGGSA-N 2 2 295.383 0.762 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNc1nccnc1C[NH3+] ZINC001339799791 921830816 /nfs/dbraw/zinc/83/08/16/921830816.db2.gz WCEVRWLNWXACHC-NSHDSACASA-N 2 2 265.361 0.458 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNc1nccnc1C[NH3+] ZINC001339799791 921830831 /nfs/dbraw/zinc/83/08/31/921830831.db2.gz WCEVRWLNWXACHC-NSHDSACASA-N 2 2 265.361 0.458 20 0 CCADLP CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001380018864 906596116 /nfs/dbraw/zinc/59/61/16/906596116.db2.gz UAFGAIRZAZYGSY-OLZOCXBDSA-N 2 2 298.431 0.043 20 0 CCADLP CCCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001380018864 906596133 /nfs/dbraw/zinc/59/61/33/906596133.db2.gz UAFGAIRZAZYGSY-OLZOCXBDSA-N 2 2 298.431 0.043 20 0 CCADLP CC(C)N(CC[N@H+](C)CCO)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001380042107 906605789 /nfs/dbraw/zinc/60/57/89/906605789.db2.gz JKZZYQWVENRSKH-CQSZACIVSA-N 2 2 296.415 0.995 20 0 CCADLP CC(C)N(CC[N@@H+](C)CCO)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001380042107 906605792 /nfs/dbraw/zinc/60/57/92/906605792.db2.gz JKZZYQWVENRSKH-CQSZACIVSA-N 2 2 296.415 0.995 20 0 CCADLP CC[C@H](C(=O)N(C)C1C[NH+](CCOC)C1)[NH+](CC)CC ZINC001380240131 906689000 /nfs/dbraw/zinc/68/90/00/906689000.db2.gz HYRIWUUPVYUAJT-CQSZACIVSA-N 2 2 285.432 0.896 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001380281388 906713189 /nfs/dbraw/zinc/71/31/89/906713189.db2.gz DIHVTBCZKSHICU-AAEUAGOBSA-N 2 2 294.399 0.876 20 0 CCADLP CC[C@@H](C)C[NH+]1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001380641529 906876183 /nfs/dbraw/zinc/87/61/83/906876183.db2.gz IYGDRTMNZQEUIH-CYBMUJFWSA-N 2 2 283.416 0.291 20 0 CCADLP CCOC1CC(C[NH2+]C2CC[NH+](CCNC(C)=O)CC2)C1 ZINC001380709544 906905047 /nfs/dbraw/zinc/90/50/47/906905047.db2.gz MOZJDZLBQHSSKQ-UHFFFAOYSA-N 2 2 297.443 0.992 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@@H]1COCC[NH+]1CC1CC1 ZINC001380835009 906955433 /nfs/dbraw/zinc/95/54/33/906955433.db2.gz XXSRFWYHTAFQMO-CQSZACIVSA-N 2 2 283.416 0.555 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1COCC[NH+]1CC1CC1 ZINC001380835009 906955451 /nfs/dbraw/zinc/95/54/51/906955451.db2.gz XXSRFWYHTAFQMO-CQSZACIVSA-N 2 2 283.416 0.555 20 0 CCADLP CCC[NH+](C)CC(=O)NC[C@@H]1COCC[N@@H+]1CC1CC1 ZINC001380835009 906955468 /nfs/dbraw/zinc/95/54/68/906955468.db2.gz XXSRFWYHTAFQMO-CQSZACIVSA-N 2 2 283.416 0.555 20 0 CCADLP CCC[NH+](C)CC(=O)NC[C@@H]1COCC[N@H+]1CC1CC1 ZINC001380835009 906955488 /nfs/dbraw/zinc/95/54/88/906955488.db2.gz XXSRFWYHTAFQMO-CQSZACIVSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H](O)CCC[NH+]1CC([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001381813798 907413549 /nfs/dbraw/zinc/41/35/49/907413549.db2.gz OVYCBEVAHGBKFM-VXGBXAGGSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccon1 ZINC001491673287 907525460 /nfs/dbraw/zinc/52/54/60/907525460.db2.gz HNQHGZYUUMLJEO-LLVKDONJSA-N 2 2 266.345 0.365 20 0 CCADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]C[C@@H]1CCCOC1 ZINC001382112511 907553275 /nfs/dbraw/zinc/55/32/75/907553275.db2.gz AHGOJIFLIUWKGI-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP CCC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001491861872 907638911 /nfs/dbraw/zinc/63/89/11/907638911.db2.gz RVFGHXLCUFGWLT-LBPRGKRZSA-N 2 2 250.346 0.731 20 0 CCADLP C[C@@H]1NC(=O)N(CC[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1=O ZINC001307517324 908322374 /nfs/dbraw/zinc/32/23/74/908322374.db2.gz YBWOZLAEBCAQDZ-GRYCIOLGSA-N 2 2 282.388 0.341 20 0 CCADLP C[C@@H]1NC(=O)N(CC[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1=O ZINC001307517324 908322392 /nfs/dbraw/zinc/32/23/92/908322392.db2.gz YBWOZLAEBCAQDZ-GRYCIOLGSA-N 2 2 282.388 0.341 20 0 CCADLP C[C@@H]1NC(=O)N(CC[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C1=O ZINC001307517324 908322400 /nfs/dbraw/zinc/32/24/00/908322400.db2.gz YBWOZLAEBCAQDZ-GRYCIOLGSA-N 2 2 282.388 0.341 20 0 CCADLP C[C@@H]1NC(=O)N(CC[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1=O ZINC001307517324 908322415 /nfs/dbraw/zinc/32/24/15/908322415.db2.gz YBWOZLAEBCAQDZ-GRYCIOLGSA-N 2 2 282.388 0.341 20 0 CCADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCC[C@]23NC(=O)NC3=O)n1C ZINC001308749803 908430423 /nfs/dbraw/zinc/43/04/23/908430423.db2.gz FGRFFGKAISJJCW-YGRLFVJLSA-N 2 2 291.355 0.196 20 0 CCADLP C[C@H](O)CCC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001317129882 908999660 /nfs/dbraw/zinc/99/96/60/908999660.db2.gz XQAQIKWKNRALIO-RWMBFGLXSA-N 2 2 280.372 0.281 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC1CCC([NH2+]CCCO)CC1 ZINC001317220950 909049646 /nfs/dbraw/zinc/04/96/46/909049646.db2.gz PHPFSRIMOCAFSF-UHFFFAOYSA-N 2 2 294.399 0.660 20 0 CCADLP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1cnsn1)[NH+](C)C ZINC001317631191 909426271 /nfs/dbraw/zinc/42/62/71/909426271.db2.gz WJNRRZJWAFVJHO-NSHDSACASA-N 2 2 285.417 0.426 20 0 CCADLP CN(CC[NH2+]CC[C@@H]1CCCO1)C(=O)Cc1c[nH+]c[nH]1 ZINC001317634286 909431605 /nfs/dbraw/zinc/43/16/05/909431605.db2.gz PBEDAYYDYGZCPQ-ZDUSSCGKSA-N 2 2 280.372 0.569 20 0 CCADLP C[C@H]1CC[N@H+](CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001417653397 921499237 /nfs/dbraw/zinc/49/92/37/921499237.db2.gz SGYZDSLELCFPFD-STQMWFEESA-N 2 2 276.384 0.904 20 0 CCADLP C[C@H]1CC[N@@H+](CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001417653397 921499243 /nfs/dbraw/zinc/49/92/43/921499243.db2.gz SGYZDSLELCFPFD-STQMWFEESA-N 2 2 276.384 0.904 20 0 CCADLP COCCCCC[NH+]1CC(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001318087607 909614959 /nfs/dbraw/zinc/61/49/59/909614959.db2.gz RSYUYZFSHLGJDA-UHFFFAOYSA-N 2 2 294.399 0.809 20 0 CCADLP C[C@@H](C(=O)NCC[N@@H+]1CC[C@@H](C)C1)n1cc[nH+]c1 ZINC001318882914 909911113 /nfs/dbraw/zinc/91/11/13/909911113.db2.gz ZRKFIKXALBPADY-NEPJUHHUSA-N 2 2 250.346 0.902 20 0 CCADLP C[C@@H](C(=O)NCC[N@H+]1CC[C@@H](C)C1)n1cc[nH+]c1 ZINC001318882914 909911127 /nfs/dbraw/zinc/91/11/27/909911127.db2.gz ZRKFIKXALBPADY-NEPJUHHUSA-N 2 2 250.346 0.902 20 0 CCADLP C[C@H](C(=O)N(C)[C@@H]1CCC[N@H+](C)C1)n1cc[nH+]c1 ZINC001319065982 909972832 /nfs/dbraw/zinc/97/28/32/909972832.db2.gz RTAALDINNZKZSR-VXGBXAGGSA-N 2 2 250.346 0.997 20 0 CCADLP COCC[NH2+]C[C@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001319214125 910041236 /nfs/dbraw/zinc/04/12/36/910041236.db2.gz NBYOLRUJFYTTJD-LBPRGKRZSA-N 2 2 290.367 0.936 20 0 CCADLP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)c1csnn1 ZINC001390464171 910443717 /nfs/dbraw/zinc/44/37/17/910443717.db2.gz CONMZGVZCZWEQI-UWVGGRQHSA-N 2 2 285.417 0.645 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+]Cc1cccnc1 ZINC001390516249 910481996 /nfs/dbraw/zinc/48/19/96/910481996.db2.gz ASIOLEYYACZWDT-LLVKDONJSA-N 2 2 287.367 0.950 20 0 CCADLP C[C@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC[C@H]1CCOC1 ZINC001390694004 910594456 /nfs/dbraw/zinc/59/44/56/910594456.db2.gz BKPAWVSTWIQSCX-OLZOCXBDSA-N 2 2 294.399 0.863 20 0 CCADLP CC[N@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)C[C@@H](C)O ZINC001390921434 910776615 /nfs/dbraw/zinc/77/66/15/910776615.db2.gz BOZDEXYGPCCOJX-LLVKDONJSA-N 2 2 290.367 0.995 20 0 CCADLP CC[N@@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)C[C@@H](C)O ZINC001390921434 910776629 /nfs/dbraw/zinc/77/66/29/910776629.db2.gz BOZDEXYGPCCOJX-LLVKDONJSA-N 2 2 290.367 0.995 20 0 CCADLP CCC[N@H+](CCO)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001391128092 910902911 /nfs/dbraw/zinc/90/29/11/910902911.db2.gz HBVMXIBTFWNGQL-CYBMUJFWSA-N 2 2 294.399 0.266 20 0 CCADLP CCC[N@@H+](CCO)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001391128092 910902924 /nfs/dbraw/zinc/90/29/24/910902924.db2.gz HBVMXIBTFWNGQL-CYBMUJFWSA-N 2 2 294.399 0.266 20 0 CCADLP CC[C@H](C(=O)N(C)CC[NH2+][C@H](C)c1nc(C)no1)[NH+](C)C ZINC001391227246 910990368 /nfs/dbraw/zinc/99/03/68/910990368.db2.gz LCDGIEYAKBIXCJ-ZYHUDNBSSA-N 2 2 297.403 0.827 20 0 CCADLP COC[C@H](C)[NH+]1CC(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001391519868 911190941 /nfs/dbraw/zinc/19/09/41/911190941.db2.gz RHSAFKPEMNDSLO-ZDUSSCGKSA-N 2 2 294.399 0.746 20 0 CCADLP COCC[NH2+]C[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001321562500 911372942 /nfs/dbraw/zinc/37/29/42/911372942.db2.gz DNUYUKJDKVBSPJ-LLVKDONJSA-N 2 2 281.356 0.373 20 0 CCADLP C[C@H]([NH2+]CCO)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001392183853 911620631 /nfs/dbraw/zinc/62/06/31/911620631.db2.gz MODCNPAUBOCBFC-UONOGXRCSA-N 2 2 294.399 0.482 20 0 CCADLP COC[C@H](C)[NH2+][C@H](CNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001392244073 911657576 /nfs/dbraw/zinc/65/75/76/911657576.db2.gz QVVBMLCLKKOGAC-NWDGAFQWSA-N 2 2 282.388 0.718 20 0 CCADLP C[C@@H](C[NH2+]Cc1cccnc1)NC(=O)Cc1c[nH+]cn1C ZINC001392608917 911989032 /nfs/dbraw/zinc/98/90/32/911989032.db2.gz UUWVVUBSDUXEIP-LBPRGKRZSA-N 2 2 287.367 0.652 20 0 CCADLP C[C@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1cnns1 ZINC001399393339 915154896 /nfs/dbraw/zinc/15/48/96/915154896.db2.gz GORANAGDVUGVSI-SECBINFHSA-N 2 2 294.384 0.488 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]([NH2+]CCF)C1CC1 ZINC001418002107 921755137 /nfs/dbraw/zinc/75/51/37/921755137.db2.gz SZPZDCVISMRIOA-JHJVBQTASA-N 2 2 294.374 0.978 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001328645843 915331460 /nfs/dbraw/zinc/33/14/60/915331460.db2.gz BTRGTSAGSQIOAJ-GRYCIOLGSA-N 2 2 262.357 0.784 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001328720888 915379971 /nfs/dbraw/zinc/37/99/71/915379971.db2.gz HINAGLAZMZQFDL-TUAOUCFPSA-N 2 2 262.357 0.641 20 0 CCADLP C[C@@H](CC(=O)NC[C@@H]1CC[N@H+](CCO)C1)n1cc[nH+]c1 ZINC001399932705 915454252 /nfs/dbraw/zinc/45/42/52/915454252.db2.gz QIYQITUOQOXGBG-STQMWFEESA-N 2 2 280.372 0.265 20 0 CCADLP C[C@@H](CC(=O)NC[C@@H]1CC[N@@H+](CCO)C1)n1cc[nH+]c1 ZINC001399932705 915454267 /nfs/dbraw/zinc/45/42/67/915454267.db2.gz QIYQITUOQOXGBG-STQMWFEESA-N 2 2 280.372 0.265 20 0 CCADLP C[NH+]1CCC(ONC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001328832942 915457583 /nfs/dbraw/zinc/45/75/83/915457583.db2.gz SYXRWSCYSSLCGF-NSHDSACASA-N 2 2 278.356 0.588 20 0 CCADLP C[C@@H](O)C[N@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001400231090 915634138 /nfs/dbraw/zinc/63/41/38/915634138.db2.gz PNDRSJBSYNZOGI-NEPJUHHUSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001400231090 915634150 /nfs/dbraw/zinc/63/41/50/915634150.db2.gz PNDRSJBSYNZOGI-NEPJUHHUSA-N 2 2 280.372 0.113 20 0 CCADLP COCC[NH2+][C@H](C)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001329168692 915722681 /nfs/dbraw/zinc/72/26/81/915722681.db2.gz NSSMUIHWQKTGSH-MNOVXSKESA-N 2 2 268.361 0.092 20 0 CCADLP C[NH2+][C@H](C(=O)NCCCCn1cc[nH+]c1)c1cnn(C)c1 ZINC001329555433 916004363 /nfs/dbraw/zinc/00/43/63/916004363.db2.gz SSSSGVYEUBGSLC-ZDUSSCGKSA-N 2 2 290.371 0.474 20 0 CCADLP COC[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH+]cn1C ZINC001401256458 916149824 /nfs/dbraw/zinc/14/98/24/916149824.db2.gz JAXGWZFCMAPQKH-STQMWFEESA-N 2 2 296.415 0.824 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]CCO ZINC001401328139 916175290 /nfs/dbraw/zinc/17/52/90/916175290.db2.gz JAMUHOFTEDUZET-OCCSQVGLSA-N 2 2 294.399 0.168 20 0 CCADLP Cc1nocc1C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001401359617 916194789 /nfs/dbraw/zinc/19/47/89/916194789.db2.gz OMVYRLBKLPBKGS-AWEZNQCLSA-N 2 2 294.399 0.967 20 0 CCADLP Cc1nocc1C[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001401359617 916194807 /nfs/dbraw/zinc/19/48/07/916194807.db2.gz OMVYRLBKLPBKGS-AWEZNQCLSA-N 2 2 294.399 0.967 20 0 CCADLP Cc1nocc1C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001401359617 916194822 /nfs/dbraw/zinc/19/48/22/916194822.db2.gz OMVYRLBKLPBKGS-AWEZNQCLSA-N 2 2 294.399 0.967 20 0 CCADLP Cc1nocc1C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001401359617 916194833 /nfs/dbraw/zinc/19/48/33/916194833.db2.gz OMVYRLBKLPBKGS-AWEZNQCLSA-N 2 2 294.399 0.967 20 0 CCADLP Cc1oncc1C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001401643520 916419953 /nfs/dbraw/zinc/41/99/53/916419953.db2.gz GPRPSTKQSOJMGT-SECBINFHSA-N 2 2 277.328 0.543 20 0 CCADLP C[C@H](C[NH2+]Cc1cncc(F)c1)NC(=O)Cn1cc[nH+]c1 ZINC001401670766 916451537 /nfs/dbraw/zinc/45/15/37/916451537.db2.gz QCVSZCPOUBZVLZ-LLVKDONJSA-N 2 2 291.330 0.712 20 0 CCADLP COC[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001401809091 916605909 /nfs/dbraw/zinc/60/59/09/916605909.db2.gz XIVHRWYIYJSLGB-VXGBXAGGSA-N 2 2 282.388 0.434 20 0 CCADLP COC[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001401809091 916605919 /nfs/dbraw/zinc/60/59/19/916605919.db2.gz XIVHRWYIYJSLGB-VXGBXAGGSA-N 2 2 282.388 0.434 20 0 CCADLP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1Cc1cccnc1 ZINC001401902940 916672553 /nfs/dbraw/zinc/67/25/53/916672553.db2.gz HPQZJVALEGFZJL-AWEZNQCLSA-N 2 2 276.384 0.724 20 0 CCADLP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1Cc1cccnc1 ZINC001401902940 916672564 /nfs/dbraw/zinc/67/25/64/916672564.db2.gz HPQZJVALEGFZJL-AWEZNQCLSA-N 2 2 276.384 0.724 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@@H+]1CC[C@@H]1CCOC1 ZINC001401914365 916689201 /nfs/dbraw/zinc/68/92/01/916689201.db2.gz KAMABPSLAQJCEM-KGLIPLIRSA-N 2 2 292.383 0.500 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@H+]1CC[C@@H]1CCOC1 ZINC001401914365 916689215 /nfs/dbraw/zinc/68/92/15/916689215.db2.gz KAMABPSLAQJCEM-KGLIPLIRSA-N 2 2 292.383 0.500 20 0 CCADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)C1(C)C[NH2+]C1 ZINC001330554620 916694737 /nfs/dbraw/zinc/69/47/37/916694737.db2.gz NEFIMNDMQOSSIY-CYBMUJFWSA-N 2 2 259.353 0.899 20 0 CCADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)C1(C)C[NH2+]C1 ZINC001330554620 916694750 /nfs/dbraw/zinc/69/47/50/916694750.db2.gz NEFIMNDMQOSSIY-CYBMUJFWSA-N 2 2 259.353 0.899 20 0 CCADLP CN1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1=O ZINC001330608731 916739535 /nfs/dbraw/zinc/73/95/35/916739535.db2.gz KISUCQIWXZNWDL-OLZOCXBDSA-N 2 2 267.373 0.060 20 0 CCADLP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cncs1 ZINC001330704047 916801858 /nfs/dbraw/zinc/80/18/58/916801858.db2.gz LYSXLBMNNVVSBX-SSDOTTSWSA-N 2 2 265.342 0.948 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001402515052 917070642 /nfs/dbraw/zinc/07/06/42/917070642.db2.gz OPAJBURTCTZBOZ-FDYHWXHSSA-N 2 2 280.372 0.452 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001402618984 917133255 /nfs/dbraw/zinc/13/32/55/917133255.db2.gz BHXQLQWPNAWVCJ-XQHKEYJVSA-N 2 2 294.399 0.860 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001402618984 917133262 /nfs/dbraw/zinc/13/32/62/917133262.db2.gz BHXQLQWPNAWVCJ-XQHKEYJVSA-N 2 2 294.399 0.860 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC1(C[NH2+]C(C)C)CCOCC1 ZINC001402746337 917201686 /nfs/dbraw/zinc/20/16/86/917201686.db2.gz DASQZGURIIDIOW-UHFFFAOYSA-N 2 2 294.399 0.924 20 0 CCADLP CC(C)[NH2+]CC1(NC(=O)Cc2[nH]cc[nH+]2)CCOCC1 ZINC001402746012 917203660 /nfs/dbraw/zinc/20/36/60/917203660.db2.gz ADTFMIPXEVRPDM-UHFFFAOYSA-N 2 2 280.372 0.616 20 0 CCADLP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CC(C(N)=O)=NO2)CC1(C)C ZINC001331510660 917381134 /nfs/dbraw/zinc/38/11/34/917381134.db2.gz JOSGHQVSXCESMX-ZJUUUORDSA-N 2 2 268.361 0.079 20 0 CCADLP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CC(C(N)=O)=NO2)CC1(C)C ZINC001331510660 917381149 /nfs/dbraw/zinc/38/11/49/917381149.db2.gz JOSGHQVSXCESMX-ZJUUUORDSA-N 2 2 268.361 0.079 20 0 CCADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CC1CCOCC1 ZINC001402981614 917398838 /nfs/dbraw/zinc/39/88/38/917398838.db2.gz OCTYQPWVSANPLW-CYBMUJFWSA-N 2 2 294.399 0.794 20 0 CCADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC(N)=O ZINC001403183400 917564697 /nfs/dbraw/zinc/56/46/97/917564697.db2.gz BAOXBGOVGFOXPK-STQMWFEESA-N 2 2 298.431 0.171 20 0 CCADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC(N)=O ZINC001403183400 917564712 /nfs/dbraw/zinc/56/47/12/917564712.db2.gz BAOXBGOVGFOXPK-STQMWFEESA-N 2 2 298.431 0.171 20 0 CCADLP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CC(N)=O ZINC001403183400 917564721 /nfs/dbraw/zinc/56/47/21/917564721.db2.gz BAOXBGOVGFOXPK-STQMWFEESA-N 2 2 298.431 0.171 20 0 CCADLP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CC(N)=O ZINC001403183400 917564740 /nfs/dbraw/zinc/56/47/40/917564740.db2.gz BAOXBGOVGFOXPK-STQMWFEESA-N 2 2 298.431 0.171 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](C)[N@H+](C)CCF ZINC001403201633 917575984 /nfs/dbraw/zinc/57/59/84/917575984.db2.gz LYZJCDMFGTVDDX-CHWSQXEVSA-N 2 2 289.395 0.361 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](C)[N@@H+](C)CCF ZINC001403201633 917575994 /nfs/dbraw/zinc/57/59/94/917575994.db2.gz LYZJCDMFGTVDDX-CHWSQXEVSA-N 2 2 289.395 0.361 20 0 CCADLP CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001403414438 917702693 /nfs/dbraw/zinc/70/26/93/917702693.db2.gz DCQWFNMQEGGSNK-OCCSQVGLSA-N 2 2 294.399 0.958 20 0 CCADLP CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC001403414438 917702702 /nfs/dbraw/zinc/70/27/02/917702702.db2.gz DCQWFNMQEGGSNK-OCCSQVGLSA-N 2 2 294.399 0.958 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[C@@H](C[NH2+]CCCO)C1 ZINC001332305826 918037647 /nfs/dbraw/zinc/03/76/47/918037647.db2.gz ASVMQWZIJMZBGL-VXGBXAGGSA-N 2 2 280.372 0.209 20 0 CCADLP CC1(C)CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1[NH2+]CCO ZINC001403844936 918056331 /nfs/dbraw/zinc/05/63/31/918056331.db2.gz XVGURHBCENDKMQ-ZDUSSCGKSA-N 2 2 294.399 0.482 20 0 CCADLP CN(C[C@@H](O)C[NH2+]CC1CCC1)C(=O)Cc1c[nH+]cn1C ZINC001403887846 918088188 /nfs/dbraw/zinc/08/81/88/918088188.db2.gz VEFYAHLRBMOGKM-AWEZNQCLSA-N 2 2 294.399 0.172 20 0 CCADLP [NH3+]C1CC[NH+]([C@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC001332417822 918141071 /nfs/dbraw/zinc/14/10/71/918141071.db2.gz XHVZZKUANQIQJP-ZDUSSCGKSA-N 2 2 267.373 0.189 20 0 CCADLP CCOC(=O)c1cc(C[NH2+]CCn2cc[nH+]c2)[nH]n1 ZINC001332434372 918154557 /nfs/dbraw/zinc/15/45/57/918154557.db2.gz ADLLNONLOBOREV-UHFFFAOYSA-N 2 2 263.301 0.573 20 0 CCADLP COC[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001404030942 918178002 /nfs/dbraw/zinc/17/80/02/918178002.db2.gz ZZLQFPXKVYGUGS-OLZOCXBDSA-N 2 2 294.399 0.578 20 0 CCADLP COC[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001404030942 918178010 /nfs/dbraw/zinc/17/80/10/918178010.db2.gz ZZLQFPXKVYGUGS-OLZOCXBDSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@H]([NH3+])C1CCN(C(=O)NCc2c[nH+]cn2C)CC1 ZINC001332557116 918274575 /nfs/dbraw/zinc/27/45/75/918274575.db2.gz JQRTTYXBSJKUGG-JTQLQIEISA-N 2 2 265.361 0.689 20 0 CCADLP Cc1[nH]c(CN2CC[N@H+](CCO)C(C)(C)C2)c(C)[nH+]1 ZINC001332981733 918577029 /nfs/dbraw/zinc/57/70/29/918577029.db2.gz RKFAYULQXKSNMQ-UHFFFAOYSA-N 2 2 266.389 0.915 20 0 CCADLP Cc1[nH]c(CN2CC[N@@H+](CCO)C(C)(C)C2)c(C)[nH+]1 ZINC001332981733 918577040 /nfs/dbraw/zinc/57/70/40/918577040.db2.gz RKFAYULQXKSNMQ-UHFFFAOYSA-N 2 2 266.389 0.915 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001405514079 918784867 /nfs/dbraw/zinc/78/48/67/918784867.db2.gz DDDWVHVEDNZBSZ-JHJVBQTASA-N 2 2 294.399 0.740 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001405514079 918784878 /nfs/dbraw/zinc/78/48/78/918784878.db2.gz DDDWVHVEDNZBSZ-JHJVBQTASA-N 2 2 294.399 0.740 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@@H](C)C[NH2+]C[C@H](C)O)c[nH+]1 ZINC001405664526 918852164 /nfs/dbraw/zinc/85/21/64/918852164.db2.gz JUVUFEQUGBOGOL-AAEUAGOBSA-N 2 2 296.415 0.649 20 0 CCADLP Cc1ncoc1C[NH2+]C[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001405716508 918871860 /nfs/dbraw/zinc/87/18/60/918871860.db2.gz IRIZIWJICYKPLG-LLVKDONJSA-N 2 2 291.355 0.722 20 0 CCADLP C[C@@H](C[NH2+]Cc1nccn1C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001405872434 918953142 /nfs/dbraw/zinc/95/31/42/918953142.db2.gz KBJDFXRYMAZPPA-NSHDSACASA-N 2 2 290.371 0.322 20 0 CCADLP CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1cnsn1)[NH+](C)C ZINC001405915038 918975753 /nfs/dbraw/zinc/97/57/53/918975753.db2.gz ZDNAUKPIVGWKRW-PWSUYJOCSA-N 2 2 299.444 0.815 20 0 CCADLP CN(CC[N@H+](C)C[C@@H]1CCCCO1)C(=O)Cc1[nH]cc[nH+]1 ZINC001406158996 919083535 /nfs/dbraw/zinc/08/35/35/919083535.db2.gz YJORMMJXNWLXBN-ZDUSSCGKSA-N 2 2 294.399 0.912 20 0 CCADLP CN(CC[N@@H+](C)C[C@@H]1CCCCO1)C(=O)Cc1[nH]cc[nH+]1 ZINC001406158996 919083552 /nfs/dbraw/zinc/08/35/52/919083552.db2.gz YJORMMJXNWLXBN-ZDUSSCGKSA-N 2 2 294.399 0.912 20 0 CCADLP Cc1nnc([C@@H](C)[NH+]2CCC(O)(C[NH+](C)C)CC2)o1 ZINC001333683151 919095862 /nfs/dbraw/zinc/09/58/62/919095862.db2.gz CBPCRLCQHKKFGW-SNVBAGLBSA-N 2 2 268.361 0.828 20 0 CCADLP C[C@H](C[NH2+]C[C@H]1CCOC1)NC(=O)CCc1c[nH+]cn1C ZINC001406421656 919252537 /nfs/dbraw/zinc/25/25/37/919252537.db2.gz LHILSWOATSXWNF-CHWSQXEVSA-N 2 2 294.399 0.484 20 0 CCADLP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1csnn1)[NH+](C)C ZINC001406529632 919325352 /nfs/dbraw/zinc/32/53/52/919325352.db2.gz OVKYOKUPOAISJM-ONGXEEELSA-N 2 2 285.417 0.473 20 0 CCADLP C[C@@H](C[NH2+]Cc1ccns1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001406539869 919332482 /nfs/dbraw/zinc/33/24/82/919332482.db2.gz HIGVSRIJFRIZLP-VIFPVBQESA-N 2 2 279.369 0.703 20 0 CCADLP C[C@@H]1CN(C(=O)NCc2c[nH+]cn2C)[C@H](C)C[NH2+]1 ZINC001334226721 919438632 /nfs/dbraw/zinc/43/86/32/919438632.db2.gz FESKJSPZXNFJJR-NXEZZACHSA-N 2 2 251.334 0.312 20 0 CCADLP CCc1nocc1C[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001406862851 919507150 /nfs/dbraw/zinc/50/71/50/919507150.db2.gz OFEPZBIZBYKHJJ-ZDUSSCGKSA-N 2 2 294.399 0.879 20 0 CCADLP CCc1nocc1C[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001406862851 919507164 /nfs/dbraw/zinc/50/71/64/919507164.db2.gz OFEPZBIZBYKHJJ-ZDUSSCGKSA-N 2 2 294.399 0.879 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H]1COCC[N@@H+]1CC)[NH+](CC)CC ZINC001407760778 919877267 /nfs/dbraw/zinc/87/72/67/919877267.db2.gz RELOFXFEUHNKNJ-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H]1COCC[N@H+]1CC)[NH+](CC)CC ZINC001407760778 919877276 /nfs/dbraw/zinc/87/72/76/919877276.db2.gz RELOFXFEUHNKNJ-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H](C)COC ZINC001492972988 919993254 /nfs/dbraw/zinc/99/32/54/919993254.db2.gz VSDMJBGIKAJHME-YNEHKIRRSA-N 2 2 294.399 0.986 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H](C)COC ZINC001492972988 919993271 /nfs/dbraw/zinc/99/32/71/919993271.db2.gz VSDMJBGIKAJHME-YNEHKIRRSA-N 2 2 294.399 0.986 20 0 CCADLP CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H](C)COC ZINC001492972988 919993283 /nfs/dbraw/zinc/99/32/83/919993283.db2.gz VSDMJBGIKAJHME-YNEHKIRRSA-N 2 2 294.399 0.986 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H](C)COC ZINC001492972988 919993294 /nfs/dbraw/zinc/99/32/94/919993294.db2.gz VSDMJBGIKAJHME-YNEHKIRRSA-N 2 2 294.399 0.986 20 0 CCADLP C[C@@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCO ZINC001408203493 920094577 /nfs/dbraw/zinc/09/45/77/920094577.db2.gz GALUXKASXHSRJZ-JTQLQIEISA-N 2 2 276.340 0.653 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1C[C@H]1c1cccnc1)C1CC1 ZINC001335430520 920193330 /nfs/dbraw/zinc/19/33/30/920193330.db2.gz KWHUWKIMJHJNTO-QLFBSQMISA-N 2 2 261.369 0.982 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1C[C@H]1c1cccnc1)C1CC1 ZINC001335430520 920193336 /nfs/dbraw/zinc/19/33/36/920193336.db2.gz KWHUWKIMJHJNTO-QLFBSQMISA-N 2 2 261.369 0.982 20 0 CCADLP CCOC(=O)CC[C@@H](O)C[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC001335445373 920197562 /nfs/dbraw/zinc/19/75/62/920197562.db2.gz RHURNPOCBDITIU-CHWSQXEVSA-N 2 2 272.389 0.622 20 0 CCADLP CCOC(=O)CC[C@@H](O)C[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC001335445373 920197567 /nfs/dbraw/zinc/19/75/67/920197567.db2.gz RHURNPOCBDITIU-CHWSQXEVSA-N 2 2 272.389 0.622 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC001335524483 920255339 /nfs/dbraw/zinc/25/53/39/920255339.db2.gz CRJYOTGCJDCQSA-SNVBAGLBSA-N 2 2 251.334 0.299 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC001335842658 920473987 /nfs/dbraw/zinc/47/39/87/920473987.db2.gz MEIYXUPVCZMGQT-JFGNBEQYSA-N 2 2 250.346 0.784 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC001335842658 920473993 /nfs/dbraw/zinc/47/39/93/920473993.db2.gz MEIYXUPVCZMGQT-JFGNBEQYSA-N 2 2 250.346 0.784 20 0 CCADLP CC(C)N(C(=O)NCC[NH+]1CCC([NH3+])CC1)C1CC1 ZINC001336191310 920649955 /nfs/dbraw/zinc/64/99/55/920649955.db2.gz FCAGBMZYQDERIM-UHFFFAOYSA-N 2 2 268.405 0.992 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H](C)C[NH2+]1 ZINC001340129158 921971102 /nfs/dbraw/zinc/97/11/02/921971102.db2.gz RYIORWWLXBSASP-GRYCIOLGSA-N 2 2 262.357 0.654 20 0 CCADLP C[NH2+]C1(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)CCC1 ZINC001340184897 922000366 /nfs/dbraw/zinc/00/03/66/922000366.db2.gz PJJJLZDCYMFTTO-LLVKDONJSA-N 2 2 250.346 0.778 20 0 CCADLP CC[C@@H](C(=O)NCC1=CC[NH2+]CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC001340282209 922037361 /nfs/dbraw/zinc/03/73/61/922037361.db2.gz QFZWQARUFFGEAS-CABCVRRESA-N 2 2 295.427 0.912 20 0 CCADLP CC[C@@H](C(=O)NCC1=CC[NH2+]CC1)[N@H+]1CCO[C@H](CC)C1 ZINC001340282209 922037377 /nfs/dbraw/zinc/03/73/77/922037377.db2.gz QFZWQARUFFGEAS-CABCVRRESA-N 2 2 295.427 0.912 20 0 CCADLP Cc1ncoc1C[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001418513262 922205763 /nfs/dbraw/zinc/20/57/63/922205763.db2.gz WXRHOCLZXJCPCI-UHFFFAOYSA-N 2 2 292.383 0.627 20 0 CCADLP Cc1ncoc1C[N@@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001418513262 922205781 /nfs/dbraw/zinc/20/57/81/922205781.db2.gz WXRHOCLZXJCPCI-UHFFFAOYSA-N 2 2 292.383 0.627 20 0 CCADLP C[NH+](C)[C@H]1CCCN(C(=O)C[C@H]([NH3+])C(F)F)CC1 ZINC001340987990 922308276 /nfs/dbraw/zinc/30/82/76/922308276.db2.gz ZPNGFBQSPXZSRY-UWVGGRQHSA-N 2 2 263.332 0.912 20 0 CCADLP CC[C@H](C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1)OC ZINC001418641456 922325457 /nfs/dbraw/zinc/32/54/57/922325457.db2.gz XBYVMUIHWSOMKI-MBNYWOFBSA-N 2 2 294.399 0.862 20 0 CCADLP C[NH2+]C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001341242842 922396704 /nfs/dbraw/zinc/39/67/04/922396704.db2.gz UUDVDJQYJJKYSK-UHFFFAOYSA-N 2 2 250.346 0.898 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001418902799 922475426 /nfs/dbraw/zinc/47/54/26/922475426.db2.gz CUBQTDQIBWGCHQ-RYUDHWBXSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001418902799 922475430 /nfs/dbraw/zinc/47/54/30/922475430.db2.gz CUBQTDQIBWGCHQ-RYUDHWBXSA-N 2 2 280.372 0.161 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC1C[NH+](C[C@H]2CCCCO2)C1 ZINC001419011177 922570315 /nfs/dbraw/zinc/57/03/15/922570315.db2.gz XJUHSOZIMVNSJW-CQSZACIVSA-N 2 2 283.416 0.696 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC1C[NH+](C[C@H]2CCCCO2)C1 ZINC001419011177 922570327 /nfs/dbraw/zinc/57/03/27/922570327.db2.gz XJUHSOZIMVNSJW-CQSZACIVSA-N 2 2 283.416 0.696 20 0 CCADLP CCCCOCC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001342477856 922976574 /nfs/dbraw/zinc/97/65/74/922976574.db2.gz ZUPYRTCUYLDRQF-UHFFFAOYSA-N 2 2 257.378 0.342 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)C[NH2+]CC1CC1 ZINC001342606744 923023128 /nfs/dbraw/zinc/02/31/28/923023128.db2.gz HGUOPYWUACZDFF-CYBMUJFWSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@H](C[NH2+]Cc1ccnn1C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001419748582 923068734 /nfs/dbraw/zinc/06/87/34/923068734.db2.gz WRWGFASSIRNVEI-LLVKDONJSA-N 2 2 290.371 0.322 20 0 CCADLP [NH3+][C@@H](CC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+])C(F)F ZINC001342976588 923154772 /nfs/dbraw/zinc/15/47/72/923154772.db2.gz AQWMLBBNFZUJLU-HOSYDEDBSA-N 2 2 269.295 0.710 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001343011830 923167590 /nfs/dbraw/zinc/16/75/90/923167590.db2.gz MCBNGFNQZVGJHY-ZHSDAYTOSA-N 2 2 260.341 0.853 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001343011830 923167597 /nfs/dbraw/zinc/16/75/97/923167597.db2.gz MCBNGFNQZVGJHY-ZHSDAYTOSA-N 2 2 260.341 0.853 20 0 CCADLP Cc1ncoc1C[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001419957658 923193680 /nfs/dbraw/zinc/19/36/80/923193680.db2.gz RMFMXWAEDZDLIJ-JTQLQIEISA-N 2 2 277.328 0.474 20 0 CCADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@H]1CCC[NH2+]CC1 ZINC001343716113 923437421 /nfs/dbraw/zinc/43/74/21/923437421.db2.gz ZOHUJGQQNRFNMF-PMUGQKEBSA-N 2 2 281.400 0.381 20 0 CCADLP O=C(/C=C\C[NH+]1CCOCC1)NC[C@H]1CCC[NH2+]CC1 ZINC001343716114 923438570 /nfs/dbraw/zinc/43/85/70/923438570.db2.gz ZOHUJGQQNRFNMF-XBPVQUQDSA-N 2 2 281.400 0.381 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)[C@H](C)n1cc[nH+]c1 ZINC001344015840 923531925 /nfs/dbraw/zinc/53/19/25/923531925.db2.gz GLMFOSJSIDZJGO-RYUDHWBXSA-N 2 2 250.346 0.997 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)n1cc[nH+]c1 ZINC001344015840 923531930 /nfs/dbraw/zinc/53/19/30/923531930.db2.gz GLMFOSJSIDZJGO-RYUDHWBXSA-N 2 2 250.346 0.997 20 0 CCADLP C[C@H](C[NH2+]Cc1cnn(C)c1)NC(=O)CCn1cc[nH+]c1 ZINC001420329253 923552104 /nfs/dbraw/zinc/55/21/04/923552104.db2.gz RDPDHWVQKQAFNA-GFCCVEGCSA-N 2 2 290.371 0.301 20 0 CCADLP CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1nnc(C)[nH]1)[NH+](C)C ZINC001420431858 923658576 /nfs/dbraw/zinc/65/85/76/923658576.db2.gz DAPAHXWJZAAKPJ-JBLDHEPKSA-N 2 2 296.419 0.609 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001420577231 923797366 /nfs/dbraw/zinc/79/73/66/923797366.db2.gz VEFQVGWGVSFYTR-CHWSQXEVSA-N 2 2 280.372 0.356 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001420577231 923797381 /nfs/dbraw/zinc/79/73/81/923797381.db2.gz VEFQVGWGVSFYTR-CHWSQXEVSA-N 2 2 280.372 0.356 20 0 CCADLP COCC[N@@H+]1CC[C@@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001420891897 924000263 /nfs/dbraw/zinc/00/02/63/924000263.db2.gz RDTWSLGJWYYJSC-CYBMUJFWSA-N 2 2 294.399 0.735 20 0 CCADLP COCC[N@H+]1CC[C@@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001420891897 924000275 /nfs/dbraw/zinc/00/02/75/924000275.db2.gz RDTWSLGJWYYJSC-CYBMUJFWSA-N 2 2 294.399 0.735 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)NCCCn1cc[nH+]c1)C2 ZINC001346149510 924085301 /nfs/dbraw/zinc/08/53/01/924085301.db2.gz AWOGYQSMUDTWMI-AVGNSLFASA-N 2 2 277.372 0.794 20 0 CCADLP CC1(C)CN(C(=O)NCCn2cc[nH+]c2)C[C@@H]1[NH3+] ZINC001346152133 924089936 /nfs/dbraw/zinc/08/99/36/924089936.db2.gz ZQKCOXLGCJSQIA-JTQLQIEISA-N 2 2 251.334 0.262 20 0 CCADLP C[C@@H]1C[C@@H]1CNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001346192411 924104774 /nfs/dbraw/zinc/10/47/74/924104774.db2.gz TZSQXYYUUJPLNP-GHMZBOCLSA-N 2 2 254.378 0.365 20 0 CCADLP CC(C)[C@H](C(=O)NC1C[NH+](CCC[C@H](C)O)C1)[NH+](C)C ZINC001421085901 924143787 /nfs/dbraw/zinc/14/37/87/924143787.db2.gz WVFDEANLRVEWSQ-GXTWGEPZSA-N 2 2 285.432 0.534 20 0 CCADLP COC[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001421135713 924176951 /nfs/dbraw/zinc/17/69/51/924176951.db2.gz FSOJUBICZJWMMI-STQMWFEESA-N 2 2 280.372 0.499 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@@](C)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001421225853 924223600 /nfs/dbraw/zinc/22/36/00/924223600.db2.gz RVSGBKLQANYRHI-XHDPSFHLSA-N 2 2 294.399 0.876 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001421225853 924223615 /nfs/dbraw/zinc/22/36/15/924223615.db2.gz RVSGBKLQANYRHI-XHDPSFHLSA-N 2 2 294.399 0.876 20 0 CCADLP C[C@@H](C[NH3+])C(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001346526733 924252221 /nfs/dbraw/zinc/25/22/21/924252221.db2.gz NWIMRVHAUCTOQL-JTQLQIEISA-N 2 2 250.346 0.721 20 0 CCADLP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCO1 ZINC001352836751 925655254 /nfs/dbraw/zinc/65/52/54/925655254.db2.gz PLEAFIVEWSSJAX-BTQIBKBOSA-N 2 2 264.329 0.088 20 0 CCADLP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCO1 ZINC001352836751 925655259 /nfs/dbraw/zinc/65/52/59/925655259.db2.gz PLEAFIVEWSSJAX-BTQIBKBOSA-N 2 2 264.329 0.088 20 0 CCADLP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C[C@H]([NH3+])C(F)F ZINC001353549964 925868708 /nfs/dbraw/zinc/86/87/08/925868708.db2.gz ZBVRBHSVPGLBLP-IVZWLZJFSA-N 2 2 263.332 0.958 20 0 CCADLP C/C(=C\C(=O)N1CC([NH+](C)C)C1)C[NH+]1CCOCC1 ZINC001353896311 925957821 /nfs/dbraw/zinc/95/78/21/925957821.db2.gz FETVHAWUEJUHTA-XYOKQWHBSA-N 2 2 267.373 0.037 20 0 CCADLP Cc1cccc(NCCNC(=O)C[C@@H]([NH3+])C(F)F)[nH+]1 ZINC001354131522 926024063 /nfs/dbraw/zinc/02/40/63/926024063.db2.gz KOPPXKCIBXVXQN-SECBINFHSA-N 2 2 272.299 0.901 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C[C@@H]1CC[NH2+]C1 ZINC001356606495 926408074 /nfs/dbraw/zinc/40/80/74/926408074.db2.gz FXTQVDWDQUGPGF-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CCCC[NH2+]1 ZINC001356607542 926409096 /nfs/dbraw/zinc/40/90/96/926409096.db2.gz PQJVBTOWKTXAML-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]CCF)CCOCC1 ZINC001421327611 926678083 /nfs/dbraw/zinc/67/80/83/926678083.db2.gz KPRAQENZUUPHFR-UHFFFAOYSA-N 2 2 298.362 0.485 20 0 CCADLP CC[C@@H](C)C[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001421390992 926721844 /nfs/dbraw/zinc/72/18/44/926721844.db2.gz MAYWCKNBKJKYRE-UKRRQHHQSA-N 2 2 294.399 0.482 20 0 CCADLP CC[C@@H](C)C[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001421390992 926721861 /nfs/dbraw/zinc/72/18/61/926721861.db2.gz MAYWCKNBKJKYRE-UKRRQHHQSA-N 2 2 294.399 0.482 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]1C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC001473438487 926764270 /nfs/dbraw/zinc/76/42/70/926764270.db2.gz YKAJVJWOJDBKQR-NWDGAFQWSA-N 2 2 278.356 0.731 20 0 CCADLP CC[C@@H](C(=O)NCC1(O)C[NH+](CC)C1)[NH+](CC)CC ZINC001421487013 926775177 /nfs/dbraw/zinc/77/51/77/926775177.db2.gz MXBLGLCXWXLNTF-LBPRGKRZSA-N 2 2 271.405 0.290 20 0 CCADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+]Cc1ccon1 ZINC001421730416 926879785 /nfs/dbraw/zinc/87/97/85/926879785.db2.gz RHVITPAHTVZCKV-LBPRGKRZSA-N 2 2 291.355 0.803 20 0 CCADLP O=C(NCC1([NH2+]CCO)CCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001421759062 926898790 /nfs/dbraw/zinc/89/87/90/926898790.db2.gz WFPLQWDFELOKJX-UHFFFAOYSA-N 2 2 288.351 0.797 20 0 CCADLP C[C@@H](C[NH2+]C[C@H]1CCCOC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001422015506 927039713 /nfs/dbraw/zinc/03/97/13/927039713.db2.gz ZPHBGKJDELJHJY-UONOGXRCSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCN1CCO[C@H](CCC[NH+](C)C)C1 ZINC001422099415 927074540 /nfs/dbraw/zinc/07/45/40/927074540.db2.gz HJIHNERSOVSFSU-HZPDHXFCSA-N 2 2 299.459 0.750 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCN1CCO[C@H](CCC[NH+](C)C)C1 ZINC001422099415 927074554 /nfs/dbraw/zinc/07/45/54/927074554.db2.gz HJIHNERSOVSFSU-HZPDHXFCSA-N 2 2 299.459 0.750 20 0 CCADLP C[C@@H](O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001422176051 927125659 /nfs/dbraw/zinc/12/56/59/927125659.db2.gz MIXGGCDHNWZYBE-CHWSQXEVSA-N 2 2 294.399 0.217 20 0 CCADLP C[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001422176051 927125675 /nfs/dbraw/zinc/12/56/75/927125675.db2.gz MIXGGCDHNWZYBE-CHWSQXEVSA-N 2 2 294.399 0.217 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+](C)[C@H](C)C(N)=O ZINC001422242019 927170023 /nfs/dbraw/zinc/17/00/23/927170023.db2.gz CAGBNMGWRGZSON-CHWSQXEVSA-N 2 2 298.431 0.125 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+](C)[C@H](C)C(N)=O ZINC001422242019 927170030 /nfs/dbraw/zinc/17/00/30/927170030.db2.gz CAGBNMGWRGZSON-CHWSQXEVSA-N 2 2 298.431 0.125 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)N(C)CC[N@H+](C)[C@H](C)C(N)=O ZINC001422242019 927170037 /nfs/dbraw/zinc/17/00/37/927170037.db2.gz CAGBNMGWRGZSON-CHWSQXEVSA-N 2 2 298.431 0.125 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)N(C)CC[N@@H+](C)[C@H](C)C(N)=O ZINC001422242019 927170042 /nfs/dbraw/zinc/17/00/42/927170042.db2.gz CAGBNMGWRGZSON-CHWSQXEVSA-N 2 2 298.431 0.125 20 0 CCADLP O=C(NCC1([NH2+]CCF)CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001423228968 927752153 /nfs/dbraw/zinc/75/21/53/927752153.db2.gz UFNUWWHIROLYHL-LLVKDONJSA-N 2 2 280.347 0.653 20 0 CCADLP CS[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1[NH+](C)C ZINC001362260884 927793604 /nfs/dbraw/zinc/79/36/04/927793604.db2.gz RPRCRTFOVZTTGY-NEPJUHHUSA-N 2 2 282.413 0.765 20 0 CCADLP CC(C)[C@H](C(=O)NCC1([NH2+]Cc2cnon2)CC1)[NH+](C)C ZINC001423292551 927794442 /nfs/dbraw/zinc/79/44/42/927794442.db2.gz IFOUOLZRXCGPQR-GFCCVEGCSA-N 2 2 295.387 0.394 20 0 CCADLP C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1[NH2+]CCO ZINC001424490350 928198192 /nfs/dbraw/zinc/19/81/92/928198192.db2.gz RRHVKCUUENADAJ-STQMWFEESA-N 2 2 280.372 0.092 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[N@H+](C)CCF ZINC001424964732 928371027 /nfs/dbraw/zinc/37/10/27/928371027.db2.gz COAWWEBWEMNXLM-NWDGAFQWSA-N 2 2 282.363 0.852 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[N@@H+](C)CCF ZINC001424964732 928371035 /nfs/dbraw/zinc/37/10/35/928371035.db2.gz COAWWEBWEMNXLM-NWDGAFQWSA-N 2 2 282.363 0.852 20 0 CCADLP CC[C@H](C[N@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1)OC ZINC001425065381 928421869 /nfs/dbraw/zinc/42/18/69/928421869.db2.gz BEFKQFOKFNSTMV-QWHCGFSZSA-N 2 2 282.388 0.745 20 0 CCADLP CC[C@H](C[N@@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1)OC ZINC001425065381 928421880 /nfs/dbraw/zinc/42/18/80/928421880.db2.gz BEFKQFOKFNSTMV-QWHCGFSZSA-N 2 2 282.388 0.745 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NC[C@@H]1CCC[N@H+]1CCCO ZINC001362734543 928422492 /nfs/dbraw/zinc/42/24/92/928422492.db2.gz BAORDDSYDQCUFP-LBPRGKRZSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NC[C@@H]1CCC[N@@H+]1CCCO ZINC001362734543 928422499 /nfs/dbraw/zinc/42/24/99/928422499.db2.gz BAORDDSYDQCUFP-LBPRGKRZSA-N 2 2 280.372 0.305 20 0 CCADLP COC[C@@H](C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001425344009 928518635 /nfs/dbraw/zinc/51/86/35/928518635.db2.gz DQKIQALSBSJYIC-SYQHCUMBSA-N 2 2 292.383 0.212 20 0 CCADLP COC[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001425344009 928518646 /nfs/dbraw/zinc/51/86/46/928518646.db2.gz DQKIQALSBSJYIC-SYQHCUMBSA-N 2 2 292.383 0.212 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001425510366 928570832 /nfs/dbraw/zinc/57/08/32/928570832.db2.gz OVJYLEUBNUBYAT-AAEUAGOBSA-N 2 2 280.372 0.091 20 0 CCADLP CC[C@@H](C[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]cn1C)OC ZINC001425679249 928621148 /nfs/dbraw/zinc/62/11/48/928621148.db2.gz LCUNCBQKVDHTCS-OCCSQVGLSA-N 2 2 296.415 0.824 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC001425952375 928716122 /nfs/dbraw/zinc/71/61/22/928716122.db2.gz IMWLUYDSABCMNC-YPMHNXCESA-N 2 2 294.399 0.814 20 0 CCADLP C[C@H](CC(=O)N(C)C[C@@H](O)C[NH2+]CC1CC1)n1cc[nH+]c1 ZINC001426026238 928734023 /nfs/dbraw/zinc/73/40/23/928734023.db2.gz BBGLPGJROGZNEK-OCCSQVGLSA-N 2 2 294.399 0.653 20 0 CCADLP CC(C)[NH2+]C[C@H](O)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001426032304 928735640 /nfs/dbraw/zinc/73/56/40/928735640.db2.gz PBCPXCPRLMJUHO-NSHDSACASA-N 2 2 282.388 0.505 20 0 CCADLP CC[N@H+](C)C[C@H](O)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001426096454 928762053 /nfs/dbraw/zinc/76/20/53/928762053.db2.gz DNXXDPHGUAUCNZ-OLZOCXBDSA-N 2 2 282.388 0.605 20 0 CCADLP CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001426096454 928762065 /nfs/dbraw/zinc/76/20/65/928762065.db2.gz DNXXDPHGUAUCNZ-OLZOCXBDSA-N 2 2 282.388 0.605 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C(C)(C)C ZINC001426138643 928773918 /nfs/dbraw/zinc/77/39/18/928773918.db2.gz QAYNNLVOLSKFLO-ZYHUDNBSSA-N 2 2 282.388 0.454 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C(C)(C)C ZINC001426138641 928774122 /nfs/dbraw/zinc/77/41/22/928774122.db2.gz QAYNNLVOLSKFLO-PWSUYJOCSA-N 2 2 282.388 0.454 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC001363203290 928973871 /nfs/dbraw/zinc/97/38/71/928973871.db2.gz GPWMAHYPKHSJIP-HZSPNIEDSA-N 2 2 295.427 0.696 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC001363203290 928973878 /nfs/dbraw/zinc/97/38/78/928973878.db2.gz GPWMAHYPKHSJIP-HZSPNIEDSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@H]1[C@@H](O)CC[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC001363247616 929024681 /nfs/dbraw/zinc/02/46/81/929024681.db2.gz WPTUYKOXDGNTJB-IMJJTQAJSA-N 2 2 278.396 0.934 20 0 CCADLP C[C@H]1[C@@H](O)CC[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC001363247616 929024695 /nfs/dbraw/zinc/02/46/95/929024695.db2.gz WPTUYKOXDGNTJB-IMJJTQAJSA-N 2 2 278.396 0.934 20 0 CCADLP C[C@H]1[C@@H](O)CC[NH+]1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC001363247616 929024704 /nfs/dbraw/zinc/02/47/04/929024704.db2.gz WPTUYKOXDGNTJB-IMJJTQAJSA-N 2 2 278.396 0.934 20 0 CCADLP C[C@H]1[C@@H](O)CC[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC001363247616 929024716 /nfs/dbraw/zinc/02/47/16/929024716.db2.gz WPTUYKOXDGNTJB-IMJJTQAJSA-N 2 2 278.396 0.934 20 0 CCADLP CN(CC(F)(F)F)C(=O)C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001363292109 929083310 /nfs/dbraw/zinc/08/33/10/929083310.db2.gz BPIUGAVECUSDBI-MNOVXSKESA-N 2 2 293.333 0.891 20 0 CCADLP CN(CC(F)(F)F)C(=O)C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001363292109 929083322 /nfs/dbraw/zinc/08/33/22/929083322.db2.gz BPIUGAVECUSDBI-MNOVXSKESA-N 2 2 293.333 0.891 20 0 CCADLP CN(CC(F)(F)F)C(=O)C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001363292109 929083325 /nfs/dbraw/zinc/08/33/25/929083325.db2.gz BPIUGAVECUSDBI-MNOVXSKESA-N 2 2 293.333 0.891 20 0 CCADLP CN(CC(F)(F)F)C(=O)C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001363292109 929083336 /nfs/dbraw/zinc/08/33/36/929083336.db2.gz BPIUGAVECUSDBI-MNOVXSKESA-N 2 2 293.333 0.891 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H](C(=O)N[C@H](CO)c2c[nH+]cn2C)C1 ZINC001363321110 929111165 /nfs/dbraw/zinc/11/11/65/929111165.db2.gz KBJWCVMHYHHTMQ-QWHCGFSZSA-N 2 2 294.399 0.690 20 0 CCADLP CC(C)[N@H+]1CCC[C@H](C(=O)N[C@H](CO)c2c[nH+]cn2C)C1 ZINC001363321110 929111170 /nfs/dbraw/zinc/11/11/70/929111170.db2.gz KBJWCVMHYHHTMQ-QWHCGFSZSA-N 2 2 294.399 0.690 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC001363540683 929339882 /nfs/dbraw/zinc/33/98/82/929339882.db2.gz QXRAGTDTJPFQPQ-YNEHKIRRSA-N 2 2 274.368 0.830 20 0 CCADLP Cc1ncoc1C[NH+](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001372101501 929730632 /nfs/dbraw/zinc/73/06/32/929730632.db2.gz JSLMOWAVOAISBL-LBPRGKRZSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1ncoc1C[NH+](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001372101501 929730639 /nfs/dbraw/zinc/73/06/39/929730639.db2.gz JSLMOWAVOAISBL-LBPRGKRZSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1ncoc1C[N@@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001372101501 929730648 /nfs/dbraw/zinc/73/06/48/929730648.db2.gz JSLMOWAVOAISBL-LBPRGKRZSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1ncoc1C[N@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001372101501 929730663 /nfs/dbraw/zinc/73/06/63/929730663.db2.gz JSLMOWAVOAISBL-LBPRGKRZSA-N 2 2 294.399 0.873 20 0 CCADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1nocc1C ZINC001444039242 929771303 /nfs/dbraw/zinc/77/13/03/929771303.db2.gz UUBOTISQMQBIAY-LBPRGKRZSA-N 2 2 291.355 0.864 20 0 CCADLP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1CC)CC(=O)NC ZINC001372479667 929847842 /nfs/dbraw/zinc/84/78/42/929847842.db2.gz GGGICKPRLKXVLO-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1CC)CC(=O)NC ZINC001372479667 929847850 /nfs/dbraw/zinc/84/78/50/929847850.db2.gz GGGICKPRLKXVLO-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1CC)CC(=O)NC ZINC001372479667 929847856 /nfs/dbraw/zinc/84/78/56/929847856.db2.gz GGGICKPRLKXVLO-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1CC)CC(=O)NC ZINC001372479667 929847863 /nfs/dbraw/zinc/84/78/63/929847863.db2.gz GGGICKPRLKXVLO-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CN(CC[N@H+](C)CCCO)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001445001975 929998589 /nfs/dbraw/zinc/99/85/89/929998589.db2.gz BNMLJBZXRYXEGL-CYBMUJFWSA-N 2 2 294.399 0.218 20 0 CCADLP CN(CC[N@@H+](C)CCCO)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001445001975 929998601 /nfs/dbraw/zinc/99/86/01/929998601.db2.gz BNMLJBZXRYXEGL-CYBMUJFWSA-N 2 2 294.399 0.218 20 0 CCADLP CN(CC[N@H+](C)Cc1cncn1C)C(=O)CC[NH+](C)C ZINC001445029275 930010547 /nfs/dbraw/zinc/01/05/47/930010547.db2.gz QIPDNTJZIHJYRI-UHFFFAOYSA-N 2 2 281.404 0.262 20 0 CCADLP CN(CC[N@@H+](C)Cc1cncn1C)C(=O)CC[NH+](C)C ZINC001445029275 930010554 /nfs/dbraw/zinc/01/05/54/930010554.db2.gz QIPDNTJZIHJYRI-UHFFFAOYSA-N 2 2 281.404 0.262 20 0 CCADLP CC[NH+]1CCN(CCN(C)C(=O)CCn2cc[nH+]c2)CC1 ZINC001373258654 930119358 /nfs/dbraw/zinc/11/93/58/930119358.db2.gz NYJNVCVDQSITFX-UHFFFAOYSA-N 2 2 293.415 0.369 20 0 CCADLP Cc1ccnc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001445597604 930181221 /nfs/dbraw/zinc/18/12/21/930181221.db2.gz ZOQFXIRMABAUAL-QWHCGFSZSA-N 2 2 291.399 0.474 20 0 CCADLP Cc1ccnc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001445597604 930181224 /nfs/dbraw/zinc/18/12/24/930181224.db2.gz ZOQFXIRMABAUAL-QWHCGFSZSA-N 2 2 291.399 0.474 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](CCC[C@H](C)O)C1 ZINC001373433827 930191681 /nfs/dbraw/zinc/19/16/81/930191681.db2.gz XVPBPYWQKFZNIG-ZFWWWQNUSA-N 2 2 297.443 0.822 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](CCC[C@H](C)O)C1 ZINC001373433827 930191688 /nfs/dbraw/zinc/19/16/88/930191688.db2.gz XVPBPYWQKFZNIG-ZFWWWQNUSA-N 2 2 297.443 0.822 20 0 CCADLP CC[C@@H](C(=O)NC1C[NH+](C[C@H](C)O)C1)[NH+](CC)CC ZINC001373453821 930203086 /nfs/dbraw/zinc/20/30/86/930203086.db2.gz FDYRRHPKWKSKOD-AAEUAGOBSA-N 2 2 271.405 0.288 20 0 CCADLP C[C@@H](O)C[N@H+](C)C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001445763347 930240794 /nfs/dbraw/zinc/24/07/94/930240794.db2.gz IQXFIIUZCIEJEP-VXGBXAGGSA-N 2 2 282.388 0.170 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001445763347 930240801 /nfs/dbraw/zinc/24/08/01/930240801.db2.gz IQXFIIUZCIEJEP-VXGBXAGGSA-N 2 2 282.388 0.170 20 0 CCADLP C[C@H](C[N@@H+](C)CCC[C@H](C)O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001445836693 930267125 /nfs/dbraw/zinc/26/71/25/930267125.db2.gz SSWYDHQZBNRSTE-NEPJUHHUSA-N 2 2 282.388 0.550 20 0 CCADLP C[C@H](C[N@H+](C)CCC[C@H](C)O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001445836693 930267133 /nfs/dbraw/zinc/26/71/33/930267133.db2.gz SSWYDHQZBNRSTE-NEPJUHHUSA-N 2 2 282.388 0.550 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]Cc1cnon1)C1CC1 ZINC001445942168 930292959 /nfs/dbraw/zinc/29/29/59/930292959.db2.gz WHAJJISPIVFWLF-OLZOCXBDSA-N 2 2 293.371 0.148 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]Cc1cnon1)C1CC1 ZINC001445942168 930292973 /nfs/dbraw/zinc/29/29/73/930292973.db2.gz WHAJJISPIVFWLF-OLZOCXBDSA-N 2 2 293.371 0.148 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CC[N@H+]1C[C@@H](C)O ZINC001446110884 930335324 /nfs/dbraw/zinc/33/53/24/930335324.db2.gz VWBHHWPZWPSJBK-CHWSQXEVSA-N 2 2 294.399 0.578 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CC[N@@H+]1C[C@@H](C)O ZINC001446110884 930335327 /nfs/dbraw/zinc/33/53/27/930335327.db2.gz VWBHHWPZWPSJBK-CHWSQXEVSA-N 2 2 294.399 0.578 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N(C)C1C[NH+](CCC[C@H](C)O)C1 ZINC001446370246 930400468 /nfs/dbraw/zinc/40/04/68/930400468.db2.gz FCRHFLMQJHFQMF-ZDUSSCGKSA-N 2 2 294.399 0.495 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]Cc1nccs1 ZINC001374082562 930419415 /nfs/dbraw/zinc/41/94/15/930419415.db2.gz XDXKLWGDPDQRIX-JTQLQIEISA-N 2 2 293.396 0.951 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]C[C@H]1CCOC1 ZINC001374090044 930420397 /nfs/dbraw/zinc/42/03/97/930420397.db2.gz IVFULXRVRIFVIL-VXGBXAGGSA-N 2 2 280.372 0.331 20 0 CCADLP Cc1nc(C[NH2+]C[C@H](C)CNC(=O)Cn2cc[nH+]c2)co1 ZINC001374112376 930424943 /nfs/dbraw/zinc/42/49/43/930424943.db2.gz BMVBDMGNORAKTA-NSHDSACASA-N 2 2 291.355 0.722 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCN1CCC([NH2+]CCF)CC1 ZINC001446995428 930537437 /nfs/dbraw/zinc/53/74/37/930537437.db2.gz DMAGRZDUIZXUIU-UHFFFAOYSA-N 2 2 297.378 0.023 20 0 CCADLP C[C@@H](O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001374510574 930538552 /nfs/dbraw/zinc/53/85/52/930538552.db2.gz SXFHWJOSYMKMHS-CHWSQXEVSA-N 2 2 294.399 0.217 20 0 CCADLP C[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001374510574 930538561 /nfs/dbraw/zinc/53/85/61/930538561.db2.gz SXFHWJOSYMKMHS-CHWSQXEVSA-N 2 2 294.399 0.217 20 0 CCADLP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2cnon2)CC1 ZINC001447297597 930602607 /nfs/dbraw/zinc/60/26/07/930602607.db2.gz LWHNLQJGMDAHPJ-GFCCVEGCSA-N 2 2 295.387 0.492 20 0 CCADLP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cnon2)CC1 ZINC001447297597 930602622 /nfs/dbraw/zinc/60/26/22/930602622.db2.gz LWHNLQJGMDAHPJ-GFCCVEGCSA-N 2 2 295.387 0.492 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCC[C@H](C)[NH2+]CCO)c[nH+]1 ZINC001447648771 930677008 /nfs/dbraw/zinc/67/70/08/930677008.db2.gz BNXWDJMBMKWOAW-NSHDSACASA-N 2 2 282.388 0.403 20 0 CCADLP CC[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001447726323 930689695 /nfs/dbraw/zinc/68/96/95/930689695.db2.gz UKAKNXXZKMEMMV-VXGBXAGGSA-N 2 2 292.383 0.476 20 0 CCADLP CC[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001447726323 930689702 /nfs/dbraw/zinc/68/97/02/930689702.db2.gz UKAKNXXZKMEMMV-VXGBXAGGSA-N 2 2 292.383 0.476 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)C[C@@H]1CCCOC1 ZINC001448122369 930824597 /nfs/dbraw/zinc/82/45/97/930824597.db2.gz PBBOKRKXMGVGTN-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC001448122369 930824616 /nfs/dbraw/zinc/82/46/16/930824616.db2.gz PBBOKRKXMGVGTN-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP C[NH+](C)[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CCO)c1ccccc1 ZINC001375373556 930866505 /nfs/dbraw/zinc/86/65/05/930866505.db2.gz BFVOPMADBXHRHG-HUUCEWRRSA-N 2 2 291.395 0.472 20 0 CCADLP C[NH+](C)[C@@H](C(=O)NC[C@H]1CC[N@H+]1CCO)c1ccccc1 ZINC001375373556 930866511 /nfs/dbraw/zinc/86/65/11/930866511.db2.gz BFVOPMADBXHRHG-HUUCEWRRSA-N 2 2 291.395 0.472 20 0 CCADLP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001375438462 930887664 /nfs/dbraw/zinc/88/76/64/930887664.db2.gz LYOXLGZFSLSKKW-VXGBXAGGSA-N 2 2 292.383 0.065 20 0 CCADLP C[C@H](F)CC[N@@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001376087102 931049917 /nfs/dbraw/zinc/04/99/17/931049917.db2.gz YFQGGJFBBMYJPY-FZMZJTMJSA-N 2 2 298.362 0.253 20 0 CCADLP C[C@H](F)CC[N@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001376087102 931049925 /nfs/dbraw/zinc/04/99/25/931049925.db2.gz YFQGGJFBBMYJPY-FZMZJTMJSA-N 2 2 298.362 0.253 20 0 CCADLP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001376154550 931073212 /nfs/dbraw/zinc/07/32/12/931073212.db2.gz RCBMTAVAYFSSRM-AWEZNQCLSA-N 2 2 294.374 0.863 20 0 CCADLP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001376154550 931073221 /nfs/dbraw/zinc/07/32/21/931073221.db2.gz RCBMTAVAYFSSRM-AWEZNQCLSA-N 2 2 294.374 0.863 20 0 CCADLP CC(C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001449208362 931101597 /nfs/dbraw/zinc/10/15/97/931101597.db2.gz CKDRVDGIZLNDFT-CQSZACIVSA-N 2 2 296.415 0.680 20 0 CCADLP CC(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001449208362 931101602 /nfs/dbraw/zinc/10/16/02/931101602.db2.gz CKDRVDGIZLNDFT-CQSZACIVSA-N 2 2 296.415 0.680 20 0 CCADLP COC[C@@H](C)[NH2+]CC[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001376581562 931186402 /nfs/dbraw/zinc/18/64/02/931186402.db2.gz WRRRAQDUGYWTFY-KGLIPLIRSA-N 2 2 294.399 0.746 20 0 CCADLP CO[C@@H](C)C[NH2+]C1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001376672181 931205556 /nfs/dbraw/zinc/20/55/56/931205556.db2.gz UUEYQRUKKMHPMV-HSBZDZAISA-N 2 2 294.399 0.935 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]Cc1cnon1 ZINC001376724448 931247588 /nfs/dbraw/zinc/24/75/88/931247588.db2.gz LKNRJZMROPMCQA-GWCFXTLKSA-N 2 2 293.371 0.006 20 0 CCADLP CC[C@H](F)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001376846337 931302508 /nfs/dbraw/zinc/30/25/08/931302508.db2.gz IMELUCIZMLUINQ-NWDGAFQWSA-N 2 2 298.362 0.517 20 0 CCADLP CCC[NH2+][C@@]1(CO)CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001377166074 931416138 /nfs/dbraw/zinc/41/61/38/931416138.db2.gz YATXLZMFMJMBRN-HNNXBMFYSA-N 2 2 294.399 0.626 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1CCN(c2[nH+]ccn2C)CC1 ZINC000091632034 349470866 /nfs/dbraw/zinc/47/08/66/349470866.db2.gz PBQFAZBRVGOZCM-CQSZACIVSA-N 2 2 293.415 0.263 20 0 CCADLP C[C@H](CN1CCOCC1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000091632034 349470870 /nfs/dbraw/zinc/47/08/70/349470870.db2.gz PBQFAZBRVGOZCM-CQSZACIVSA-N 2 2 293.415 0.263 20 0 CCADLP [NH3+]C1CC[NH+](CC(=O)NC(C2CC2)C2CC2)CC1 ZINC000092714470 349503624 /nfs/dbraw/zinc/50/36/24/349503624.db2.gz PZVLKKPXONKFGI-UHFFFAOYSA-N 2 2 251.374 0.714 20 0 CCADLP CN(CCCn1cc[nH+]c1)c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000092923095 349513301 /nfs/dbraw/zinc/51/33/01/349513301.db2.gz LOBBMDLUPKDZEV-UHFFFAOYSA-N 2 2 298.354 0.968 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+]2C[C@H]3CCC[C@@H]3C2)CC1 ZINC000093189122 349529269 /nfs/dbraw/zinc/52/92/69/349529269.db2.gz LMRZGPKHADHBBU-CHWSQXEVSA-N 2 2 251.374 0.492 20 0 CCADLP CC(C)CO[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093189630 349530487 /nfs/dbraw/zinc/53/04/87/349530487.db2.gz QKZFAIZVCHFIKS-AWEZNQCLSA-N 2 2 283.416 0.507 20 0 CCADLP CC(C)CO[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093189630 349530490 /nfs/dbraw/zinc/53/04/90/349530490.db2.gz QKZFAIZVCHFIKS-AWEZNQCLSA-N 2 2 283.416 0.507 20 0 CCADLP Cc1nn(C)cc1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093663888 349549512 /nfs/dbraw/zinc/54/95/12/349549512.db2.gz BVCJLSPHOQBANF-AWEZNQCLSA-N 2 2 278.400 0.883 20 0 CCADLP Cc1nn(C)cc1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093663888 349549515 /nfs/dbraw/zinc/54/95/15/349549515.db2.gz BVCJLSPHOQBANF-AWEZNQCLSA-N 2 2 278.400 0.883 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449657305 529464064 /nfs/dbraw/zinc/46/40/64/529464064.db2.gz ONRFLJFNEARMDA-VWYCJHECSA-N 2 2 275.343 0.736 20 0 CCADLP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000103151333 349691890 /nfs/dbraw/zinc/69/18/90/349691890.db2.gz QYENMOSTQHAQPW-CQSZACIVSA-N 2 2 281.400 0.405 20 0 CCADLP CC[C@@]1(C(=O)N(C)CC[NH+]2CCOCC2)CCC[NH2+]1 ZINC000423750101 529518790 /nfs/dbraw/zinc/51/87/90/529518790.db2.gz SKVIFNWFUOOSFN-AWEZNQCLSA-N 2 2 269.389 0.309 20 0 CCADLP C[NH+]1CCC(CCNC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000103295758 349696225 /nfs/dbraw/zinc/69/62/25/349696225.db2.gz AZIBOTJMBODJLW-UHFFFAOYSA-N 2 2 298.431 0.350 20 0 CCADLP CCn1cc[nH+]c1CNc1cc[nH+]c(N2CCOCC2)n1 ZINC000450687761 529569573 /nfs/dbraw/zinc/56/95/73/529569573.db2.gz VSZZYMWOFFYUNT-UHFFFAOYSA-N 2 2 288.355 0.564 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)N1CCCC1 ZINC000374419847 282211196 /nfs/dbraw/zinc/21/11/96/282211196.db2.gz JEESKXCXPPXIQK-RBSFLKMASA-N 2 2 295.427 0.792 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC(=O)N1CCCC1 ZINC000374419847 282211198 /nfs/dbraw/zinc/21/11/98/282211198.db2.gz JEESKXCXPPXIQK-RBSFLKMASA-N 2 2 295.427 0.792 20 0 CCADLP COC(=O)c1cnc(C[NH2+][C@@](C)(C[NH3+])C(C)C)cn1 ZINC000600706345 362039516 /nfs/dbraw/zinc/03/95/16/362039516.db2.gz VAOXGDWUKUBMEQ-ZDUSSCGKSA-N 2 2 266.345 0.726 20 0 CCADLP COC(=O)c1cnc(C[N@H+](C)C2CC([NH3+])C2)cn1 ZINC000600711757 362041832 /nfs/dbraw/zinc/04/18/32/362041832.db2.gz RXIMUCZNIQSLET-UHFFFAOYSA-N 2 2 250.302 0.185 20 0 CCADLP COC(=O)c1cnc(C[N@@H+](C)C2CC([NH3+])C2)cn1 ZINC000600711757 362041834 /nfs/dbraw/zinc/04/18/34/362041834.db2.gz RXIMUCZNIQSLET-UHFFFAOYSA-N 2 2 250.302 0.185 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600751219 362054081 /nfs/dbraw/zinc/05/40/81/362054081.db2.gz ZVIGHTUULFEYHW-HONMWMINSA-N 2 2 282.388 0.152 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600751219 362054088 /nfs/dbraw/zinc/05/40/88/362054088.db2.gz ZVIGHTUULFEYHW-HONMWMINSA-N 2 2 282.388 0.152 20 0 CCADLP CN(C(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)C1CC1 ZINC000374423190 282223870 /nfs/dbraw/zinc/22/38/70/282223870.db2.gz VLCSLYCQESCTBV-QLFBSQMISA-N 2 2 295.427 0.791 20 0 CCADLP CN(C(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)C1CC1 ZINC000374423190 282223874 /nfs/dbraw/zinc/22/38/74/282223874.db2.gz VLCSLYCQESCTBV-QLFBSQMISA-N 2 2 295.427 0.791 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000617719066 365722732 /nfs/dbraw/zinc/72/27/32/365722732.db2.gz HFRSTWVUZVTITJ-NEPJUHHUSA-N 2 2 280.372 0.417 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000617719066 365722735 /nfs/dbraw/zinc/72/27/35/365722735.db2.gz HFRSTWVUZVTITJ-NEPJUHHUSA-N 2 2 280.372 0.417 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000617719068 365722673 /nfs/dbraw/zinc/72/26/73/365722673.db2.gz HFRSTWVUZVTITJ-RYUDHWBXSA-N 2 2 280.372 0.417 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000617719068 365722678 /nfs/dbraw/zinc/72/26/78/365722678.db2.gz HFRSTWVUZVTITJ-RYUDHWBXSA-N 2 2 280.372 0.417 20 0 CCADLP C[NH+]1CCN(CC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000600989493 362120237 /nfs/dbraw/zinc/12/02/37/362120237.db2.gz NUDYEJVXMNSZEO-ZDUSSCGKSA-N 2 2 291.399 0.363 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000418373960 290677565 /nfs/dbraw/zinc/67/75/65/290677565.db2.gz VODPOTZRNPWGMK-KGLIPLIRSA-N 2 2 298.431 0.348 20 0 CCADLP CN(C)C(=O)C(C)(C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000573480861 334940632 /nfs/dbraw/zinc/94/06/32/334940632.db2.gz LFJQIMDRYOOSPG-UHFFFAOYSA-N 2 2 267.377 0.443 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000113512487 349814819 /nfs/dbraw/zinc/81/48/19/349814819.db2.gz SPAYWLDJICYILP-LLVKDONJSA-N 2 2 284.404 0.494 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000113512487 349814824 /nfs/dbraw/zinc/81/48/24/349814824.db2.gz SPAYWLDJICYILP-LLVKDONJSA-N 2 2 284.404 0.494 20 0 CCADLP CCOC[C@H](O)C[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000113504364 349813337 /nfs/dbraw/zinc/81/33/37/349813337.db2.gz IQYKDLUSUGDFQY-CQSZACIVSA-N 2 2 294.399 0.613 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCc1ncccn1 ZINC000617764117 365766769 /nfs/dbraw/zinc/76/67/69/365766769.db2.gz JSZKPWRWURASHS-UHFFFAOYSA-N 2 2 293.415 0.409 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCc1ncccn1 ZINC000617764117 365766773 /nfs/dbraw/zinc/76/67/73/365766773.db2.gz JSZKPWRWURASHS-UHFFFAOYSA-N 2 2 293.415 0.409 20 0 CCADLP COc1ccnc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000617763238 365766833 /nfs/dbraw/zinc/76/68/33/365766833.db2.gz KJTBARVRLBFNFU-UHFFFAOYSA-N 2 2 294.399 0.704 20 0 CCADLP COc1ccnc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000617763238 365766836 /nfs/dbraw/zinc/76/68/36/365766836.db2.gz KJTBARVRLBFNFU-UHFFFAOYSA-N 2 2 294.399 0.704 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@H+](CCn2nc3ccccn3c2=O)C1 ZINC000113516159 349815965 /nfs/dbraw/zinc/81/59/65/349815965.db2.gz HJXAQGWIEJTNQF-CYBMUJFWSA-N 2 2 289.383 0.380 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@@H+](CCn2nc3ccccn3c2=O)C1 ZINC000113516159 349815967 /nfs/dbraw/zinc/81/59/67/349815967.db2.gz HJXAQGWIEJTNQF-CYBMUJFWSA-N 2 2 289.383 0.380 20 0 CCADLP Cc1onc(CO)c1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764477 365768097 /nfs/dbraw/zinc/76/80/97/365768097.db2.gz ZGKZDKDGSWTCKH-UHFFFAOYSA-N 2 2 298.387 0.089 20 0 CCADLP Cc1onc(CO)c1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764477 365768104 /nfs/dbraw/zinc/76/81/04/365768104.db2.gz ZGKZDKDGSWTCKH-UHFFFAOYSA-N 2 2 298.387 0.089 20 0 CCADLP C[C@@H]1C[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)CO1 ZINC000617765206 365770791 /nfs/dbraw/zinc/77/07/91/365770791.db2.gz XDERVMKXVZTEGM-OLZOCXBDSA-N 2 2 271.405 0.411 20 0 CCADLP C[C@@H]1C[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CO1 ZINC000617765206 365770795 /nfs/dbraw/zinc/77/07/95/365770795.db2.gz XDERVMKXVZTEGM-OLZOCXBDSA-N 2 2 271.405 0.411 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cncc(F)c1 ZINC000617765755 365770318 /nfs/dbraw/zinc/77/03/18/365770318.db2.gz OZNLWRUQILTLCR-UHFFFAOYSA-N 2 2 282.363 0.834 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cncc(F)c1 ZINC000617765755 365770323 /nfs/dbraw/zinc/77/03/23/365770323.db2.gz OZNLWRUQILTLCR-UHFFFAOYSA-N 2 2 282.363 0.834 20 0 CCADLP CC[C@@H](OC)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767396 365772706 /nfs/dbraw/zinc/77/27/06/365772706.db2.gz SORLLPSQENLQGI-GFCCVEGCSA-N 2 2 259.394 0.411 20 0 CCADLP CC[C@@H](OC)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767396 365772710 /nfs/dbraw/zinc/77/27/10/365772710.db2.gz SORLLPSQENLQGI-GFCCVEGCSA-N 2 2 259.394 0.411 20 0 CCADLP CCO[C@H](C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767527 365772946 /nfs/dbraw/zinc/77/29/46/365772946.db2.gz YXOFDNBROLVLOD-GFCCVEGCSA-N 2 2 259.394 0.411 20 0 CCADLP CCO[C@H](C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767527 365772951 /nfs/dbraw/zinc/77/29/51/365772951.db2.gz YXOFDNBROLVLOD-GFCCVEGCSA-N 2 2 259.394 0.411 20 0 CCADLP Cc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)no1 ZINC000617768922 365774003 /nfs/dbraw/zinc/77/40/03/365774003.db2.gz ZNSNJRATLBHKBM-UHFFFAOYSA-N 2 2 268.361 0.596 20 0 CCADLP Cc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)no1 ZINC000617768922 365774005 /nfs/dbraw/zinc/77/40/05/365774005.db2.gz ZNSNJRATLBHKBM-UHFFFAOYSA-N 2 2 268.361 0.596 20 0 CCADLP Cc1noc(C)c1CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617768843 365774177 /nfs/dbraw/zinc/77/41/77/365774177.db2.gz XAXAJWBNTAFZRL-UHFFFAOYSA-N 2 2 296.415 0.834 20 0 CCADLP Cc1noc(C)c1CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617768843 365774183 /nfs/dbraw/zinc/77/41/83/365774183.db2.gz XAXAJWBNTAFZRL-UHFFFAOYSA-N 2 2 296.415 0.834 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@@H]1CCOC1 ZINC000617766215 365771637 /nfs/dbraw/zinc/77/16/37/365771637.db2.gz BZZGGDJBKFTZGX-ZDUSSCGKSA-N 2 2 271.405 0.413 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@@H]1CCOC1 ZINC000617766215 365771642 /nfs/dbraw/zinc/77/16/42/365771642.db2.gz BZZGGDJBKFTZGX-ZDUSSCGKSA-N 2 2 271.405 0.413 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCCCO1 ZINC000617765702 365771804 /nfs/dbraw/zinc/77/18/04/365771804.db2.gz MRNBUEWNTWQNOS-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCCCO1 ZINC000617765702 365771811 /nfs/dbraw/zinc/77/18/11/365771811.db2.gz MRNBUEWNTWQNOS-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000423740724 529789732 /nfs/dbraw/zinc/78/97/32/529789732.db2.gz GYCCGBXUIRVMMJ-MCIONIFRSA-N 2 2 283.416 0.731 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000423740724 529789733 /nfs/dbraw/zinc/78/97/33/529789733.db2.gz GYCCGBXUIRVMMJ-MCIONIFRSA-N 2 2 283.416 0.731 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)n1C ZINC000425344408 529807890 /nfs/dbraw/zinc/80/78/90/529807890.db2.gz SXENVQVSHDFTDZ-LLVKDONJSA-N 2 2 250.346 0.443 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2C[C@@H](O)C3(CC3)C2)n1C ZINC000425344408 529807891 /nfs/dbraw/zinc/80/78/91/529807891.db2.gz SXENVQVSHDFTDZ-LLVKDONJSA-N 2 2 250.346 0.443 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cc(C(N)=O)cs2)C1 ZINC000358154907 529809862 /nfs/dbraw/zinc/80/98/62/529809862.db2.gz FHPOOSURGALEJQ-LBPRGKRZSA-N 2 2 269.370 0.003 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cc(C(N)=O)cs2)C1 ZINC000358154907 529809864 /nfs/dbraw/zinc/80/98/64/529809864.db2.gz FHPOOSURGALEJQ-LBPRGKRZSA-N 2 2 269.370 0.003 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]Cc2ccc(C(N)=O)nc2)n1C ZINC000425364200 529809914 /nfs/dbraw/zinc/80/99/14/529809914.db2.gz XDFPFLIXDFGWLD-UHFFFAOYSA-N 2 2 288.355 0.270 20 0 CCADLP CN1C[C@@H](C[NH+]2CCC(n3cc[nH+]c3)CC2)OC1=O ZINC000495648993 529817141 /nfs/dbraw/zinc/81/71/41/529817141.db2.gz APRJNCBJPFWAAB-LBPRGKRZSA-N 2 2 264.329 0.971 20 0 CCADLP CN1C[C@H](C[N@H+](C)CCC[NH+]2CCCC2)OC1=O ZINC000495724114 529886580 /nfs/dbraw/zinc/88/65/80/529886580.db2.gz ABEDGYMMURXJIY-LBPRGKRZSA-N 2 2 255.362 0.855 20 0 CCADLP CN1C[C@H](C[N@@H+](C)CCC[NH+]2CCCC2)OC1=O ZINC000495724114 529886581 /nfs/dbraw/zinc/88/65/81/529886581.db2.gz ABEDGYMMURXJIY-LBPRGKRZSA-N 2 2 255.362 0.855 20 0 CCADLP COC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000128114760 187352369 /nfs/dbraw/zinc/35/23/69/187352369.db2.gz OIQCLTBFLJWLGY-UPJWGTAASA-N 2 2 253.346 0.773 20 0 CCADLP COC[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000128114760 187352370 /nfs/dbraw/zinc/35/23/70/187352370.db2.gz OIQCLTBFLJWLGY-UPJWGTAASA-N 2 2 253.346 0.773 20 0 CCADLP C[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000117066568 349880846 /nfs/dbraw/zinc/88/08/46/349880846.db2.gz PXIFMCHEGGYXCE-UHFFFAOYSA-N 2 2 263.345 0.065 20 0 CCADLP CN(C)c1ncc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cn1 ZINC000449389927 282320803 /nfs/dbraw/zinc/32/08/03/282320803.db2.gz FCPXAXGAKIGENG-CQSZACIVSA-N 2 2 293.415 0.479 20 0 CCADLP CN(C)c1ncc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cn1 ZINC000449389927 282320805 /nfs/dbraw/zinc/32/08/05/282320805.db2.gz FCPXAXGAKIGENG-CQSZACIVSA-N 2 2 293.415 0.479 20 0 CCADLP CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)C[NH3+] ZINC000423933688 529958176 /nfs/dbraw/zinc/95/81/76/529958176.db2.gz SMTDOTQZHFFKON-ZFWWWQNUSA-N 2 2 277.368 0.475 20 0 CCADLP CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)C[NH3+] ZINC000423933688 529958177 /nfs/dbraw/zinc/95/81/77/529958177.db2.gz SMTDOTQZHFFKON-ZFWWWQNUSA-N 2 2 277.368 0.475 20 0 CCADLP C[NH2+]CCC(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000423933981 529959044 /nfs/dbraw/zinc/95/90/44/529959044.db2.gz XYBQTCWJVICYNY-LBPRGKRZSA-N 2 2 292.383 0.737 20 0 CCADLP C[NH2+]CC[NH2+]Cc1cc(OC)c2c(c1)OCCO2 ZINC000414820455 529978317 /nfs/dbraw/zinc/97/83/17/529978317.db2.gz JLEQFWVRKTYZTG-UHFFFAOYSA-N 2 2 252.314 0.775 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000418108157 529982583 /nfs/dbraw/zinc/98/25/83/529982583.db2.gz ALIBNNQDHFMUAK-GFCCVEGCSA-N 2 2 284.404 0.006 20 0 CCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000602107628 362494320 /nfs/dbraw/zinc/49/43/20/362494320.db2.gz MRPYXATZYKZKOI-NWDGAFQWSA-N 2 2 285.388 0.032 20 0 CCADLP COC[C@](C)(CC(=O)OC)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000602016946 362457691 /nfs/dbraw/zinc/45/76/91/362457691.db2.gz KNIDCASBMRKYHY-YDGIUTOCSA-N 2 2 256.346 0.296 20 0 CCADLP CN(C)S(=O)(=O)CC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000308638467 232014948 /nfs/dbraw/zinc/01/49/48/232014948.db2.gz WMTLGMPTDZTEQO-UHFFFAOYSA-N 2 2 277.434 0.342 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)c1cc[nH+]c(N2CCOCC2)n1 ZINC000428129497 530026618 /nfs/dbraw/zinc/02/66/18/530026618.db2.gz GHNUHXFVAYGQHN-UHFFFAOYSA-N 2 2 274.328 0.673 20 0 CCADLP [NH3+]Cc1ccc(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000358143664 232049188 /nfs/dbraw/zinc/04/91/88/232049188.db2.gz QDQPDPJXQBWURX-UHFFFAOYSA-N 2 2 299.378 0.826 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655243217 412517813 /nfs/dbraw/zinc/51/78/13/412517813.db2.gz SDAVONYRHJYBGI-MELADBBJSA-N 2 2 285.432 0.941 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655243217 412517816 /nfs/dbraw/zinc/51/78/16/412517816.db2.gz SDAVONYRHJYBGI-MELADBBJSA-N 2 2 285.432 0.941 20 0 CCADLP CC(C)[NH+](C)CC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655243217 412517820 /nfs/dbraw/zinc/51/78/20/412517820.db2.gz SDAVONYRHJYBGI-MELADBBJSA-N 2 2 285.432 0.941 20 0 CCADLP CC(C)[NH+](C)CC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655243217 412517823 /nfs/dbraw/zinc/51/78/23/412517823.db2.gz SDAVONYRHJYBGI-MELADBBJSA-N 2 2 285.432 0.941 20 0 CCADLP COCCC(=O)N1CCC([NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000358298098 232076816 /nfs/dbraw/zinc/07/68/16/232076816.db2.gz MDSFZDYKTYNXQT-JSGCOSHPSA-N 2 2 283.416 0.554 20 0 CCADLP COCCC(=O)N1CCC([NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000358298098 232076819 /nfs/dbraw/zinc/07/68/19/232076819.db2.gz MDSFZDYKTYNXQT-JSGCOSHPSA-N 2 2 283.416 0.554 20 0 CCADLP COC(=O)c1[nH]c(C[NH2+]CCC[NH+]2CCOCC2)cc1C ZINC000602506577 362648513 /nfs/dbraw/zinc/64/85/13/362648513.db2.gz ZTFKEMHMJFJFEJ-UHFFFAOYSA-N 2 2 295.383 0.922 20 0 CCADLP Cc1cnn(C)c1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000367356357 232318443 /nfs/dbraw/zinc/31/84/43/232318443.db2.gz MITQIVONWQPUER-AWEZNQCLSA-N 2 2 278.400 0.883 20 0 CCADLP Cc1cnn(C)c1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000367356357 232318448 /nfs/dbraw/zinc/31/84/48/232318448.db2.gz MITQIVONWQPUER-AWEZNQCLSA-N 2 2 278.400 0.883 20 0 CCADLP C[C@H](c1ccccn1)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000127564675 187316360 /nfs/dbraw/zinc/31/63/60/187316360.db2.gz AMVWXTIJCHUGAW-CYBMUJFWSA-N 2 2 276.384 0.848 20 0 CCADLP C[C@@H]1CN(c2ccc(CNC(=O)CC[NH3+])c[nH+]2)C[C@H](C)O1 ZINC000237695452 136536288 /nfs/dbraw/zinc/53/62/88/136536288.db2.gz GTJGWSLTYRGVHR-TXEJJXNPSA-N 2 2 292.383 0.660 20 0 CCADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)c1 ZINC000423330125 290794832 /nfs/dbraw/zinc/79/48/32/290794832.db2.gz TYBZXQALFOFNIB-QMTHXVAHSA-N 2 2 297.424 0.983 20 0 CCADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](CC)C1 ZINC000617927871 365838519 /nfs/dbraw/zinc/83/85/19/365838519.db2.gz DZYYWQSNSNPSLA-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](CC)C1 ZINC000617927871 365838526 /nfs/dbraw/zinc/83/85/26/365838526.db2.gz DZYYWQSNSNPSLA-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](CC)C1 ZINC000617927871 365838530 /nfs/dbraw/zinc/83/85/30/365838530.db2.gz DZYYWQSNSNPSLA-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](CC)C1 ZINC000617927871 365838540 /nfs/dbraw/zinc/83/85/40/365838540.db2.gz DZYYWQSNSNPSLA-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CN(c2ccncn2)C1 ZINC000631746444 370655123 /nfs/dbraw/zinc/65/51/23/370655123.db2.gz JULATNCUFIWSSU-RISCZKNCSA-N 2 2 273.384 0.738 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CN(c2ccncn2)C1 ZINC000631746444 370655128 /nfs/dbraw/zinc/65/51/28/370655128.db2.gz JULATNCUFIWSSU-RISCZKNCSA-N 2 2 273.384 0.738 20 0 CCADLP O[C@@H]1CCOC[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000631751266 370656315 /nfs/dbraw/zinc/65/63/15/370656315.db2.gz FEOGHQPZFZXGGW-RRFJBIMHSA-N 2 2 284.400 0.369 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631756808 370658004 /nfs/dbraw/zinc/65/80/04/370658004.db2.gz UEAAQMSUPAWZNE-LLVKDONJSA-N 2 2 286.401 0.285 20 0 CCADLP CCN(C#N)CC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000602797365 362805653 /nfs/dbraw/zinc/80/56/53/362805653.db2.gz HIBJINMHOQCDMS-HZPDHXFCSA-N 2 2 293.459 0.747 20 0 CCADLP CCN(C#N)CC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000602797365 362805657 /nfs/dbraw/zinc/80/56/57/362805657.db2.gz HIBJINMHOQCDMS-HZPDHXFCSA-N 2 2 293.459 0.747 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000618181486 365917332 /nfs/dbraw/zinc/91/73/32/365917332.db2.gz IDPCHELSWYNWKM-LBPRGKRZSA-N 2 2 278.356 0.194 20 0 CCADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3nnnn3-c3ccccc3)C[C@H]12 ZINC000261690770 137015411 /nfs/dbraw/zinc/01/54/11/137015411.db2.gz NIGUFWKPNQKLKG-KWCYVHTRSA-N 2 2 284.367 0.831 20 0 CCADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3nnnn3-c3ccccc3)C[C@H]12 ZINC000261690770 137015412 /nfs/dbraw/zinc/01/54/12/137015412.db2.gz NIGUFWKPNQKLKG-KWCYVHTRSA-N 2 2 284.367 0.831 20 0 CCADLP C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261575785 137009783 /nfs/dbraw/zinc/00/97/83/137009783.db2.gz BTOXVWMJEFRVTK-MGPQQGTHSA-N 2 2 265.401 0.929 20 0 CCADLP C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261575785 137009784 /nfs/dbraw/zinc/00/97/84/137009784.db2.gz BTOXVWMJEFRVTK-MGPQQGTHSA-N 2 2 265.401 0.929 20 0 CCADLP Cn1cc(N2CC[C@H]([N@@H+]3CC[C@@](C)(C[NH3+])C3)C2=O)cn1 ZINC000261606504 137011576 /nfs/dbraw/zinc/01/15/76/137011576.db2.gz ARITZKJVRYXIPP-JSGCOSHPSA-N 2 2 277.372 0.196 20 0 CCADLP Cn1cc(N2CC[C@H]([N@H+]3CC[C@@](C)(C[NH3+])C3)C2=O)cn1 ZINC000261606504 137011577 /nfs/dbraw/zinc/01/15/77/137011577.db2.gz ARITZKJVRYXIPP-JSGCOSHPSA-N 2 2 277.372 0.196 20 0 CCADLP C[C@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261656223 137014461 /nfs/dbraw/zinc/01/44/61/137014461.db2.gz YTFPYZXCZJQKNQ-JHJVBQTASA-N 2 2 265.401 0.975 20 0 CCADLP C[C@H](C(=O)NC1CCCC1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261656223 137014462 /nfs/dbraw/zinc/01/44/62/137014462.db2.gz YTFPYZXCZJQKNQ-JHJVBQTASA-N 2 2 265.401 0.975 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+](C)[C@H]2CCC[NH2+]CC2)C[C@H](C)O1 ZINC000261660365 137014482 /nfs/dbraw/zinc/01/44/82/137014482.db2.gz ZTLYKXFCMUTQJT-MJBXVCDLSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)[C@H]2CCC[NH2+]CC2)C[C@H](C)O1 ZINC000261660365 137014483 /nfs/dbraw/zinc/01/44/83/137014483.db2.gz ZTLYKXFCMUTQJT-MJBXVCDLSA-N 2 2 283.416 0.696 20 0 CCADLP COC[C@H]([NH3+])C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000262398221 137041944 /nfs/dbraw/zinc/04/19/44/137041944.db2.gz ZLLLFBXZHXQQKK-LBPRGKRZSA-N 2 2 274.324 0.999 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000262704294 137051010 /nfs/dbraw/zinc/05/10/10/137051010.db2.gz KWFZPHFZENLNNT-GXTWGEPZSA-N 2 2 270.421 0.256 20 0 CCADLP C[C@H](C(=O)Nc1cccc(F)c1)[NH+]1CCN(CC[NH3+])CC1 ZINC000263027466 137057365 /nfs/dbraw/zinc/05/73/65/137057365.db2.gz ROUORKIMZWCFRM-GFCCVEGCSA-N 2 2 294.374 0.729 20 0 CCADLP C[C@H]1CCC[N@@H+](CCNC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263062639 137057571 /nfs/dbraw/zinc/05/75/71/137057571.db2.gz VMSDYPZXGWZDMZ-WDEREUQCSA-N 2 2 275.343 0.832 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000261761046 137018843 /nfs/dbraw/zinc/01/88/43/137018843.db2.gz NMAIMQKWFRPGCP-REWJHTLYSA-N 2 2 283.416 0.587 20 0 CCADLP C[C@@H]([NH3+])CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000261778593 137019414 /nfs/dbraw/zinc/01/94/14/137019414.db2.gz JIASZDLDQVAOHC-VXGBXAGGSA-N 2 2 255.362 0.047 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC(C)(C)[NH3+] ZINC000261805506 137021266 /nfs/dbraw/zinc/02/12/66/137021266.db2.gz HGRPZSAVTHHDSK-AGIUHOORSA-N 3 2 255.406 0.907 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC(C)(C)[NH3+] ZINC000261805506 137021267 /nfs/dbraw/zinc/02/12/67/137021267.db2.gz HGRPZSAVTHHDSK-AGIUHOORSA-N 3 2 255.406 0.907 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261828389 137021588 /nfs/dbraw/zinc/02/15/88/137021588.db2.gz TYXQGUNNFGRHNU-QWHCGFSZSA-N 2 2 283.416 0.731 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261828389 137021589 /nfs/dbraw/zinc/02/15/89/137021589.db2.gz TYXQGUNNFGRHNU-QWHCGFSZSA-N 2 2 283.416 0.731 20 0 CCADLP COC[C@H]([NH3+])C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000263272677 137062704 /nfs/dbraw/zinc/06/27/04/137062704.db2.gz XIKMQCBRSZPSOH-HNNXBMFYSA-N 2 2 291.395 0.347 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000311972258 137076379 /nfs/dbraw/zinc/07/63/79/137076379.db2.gz KARVJCDSVFCCHY-OCCSQVGLSA-N 2 2 269.389 0.213 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000311972258 137076380 /nfs/dbraw/zinc/07/63/80/137076380.db2.gz KARVJCDSVFCCHY-OCCSQVGLSA-N 2 2 269.389 0.213 20 0 CCADLP CCC(CC)NC(=O)[C@@H](C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000314132380 137078847 /nfs/dbraw/zinc/07/88/47/137078847.db2.gz LXJIGAQUWRNWFU-UKRRQHHQSA-N 2 2 296.459 0.659 20 0 CCADLP C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000342455947 137095086 /nfs/dbraw/zinc/09/50/86/137095086.db2.gz XPGIXBTYWAZRJO-PWSUYJOCSA-N 2 2 279.365 0.857 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)CC1 ZINC000343066871 137112816 /nfs/dbraw/zinc/11/28/16/137112816.db2.gz WYUAIJKHNISMOF-LSDHHAIUSA-N 2 2 295.427 0.840 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCO[C@@H]3CCC[C@@H]32)CC1 ZINC000343066871 137112817 /nfs/dbraw/zinc/11/28/17/137112817.db2.gz WYUAIJKHNISMOF-LSDHHAIUSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@@H]1CN(Cc2cn(C)nn2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000343723928 137152601 /nfs/dbraw/zinc/15/26/01/137152601.db2.gz XZGYJBHGKAGQPB-CYBMUJFWSA-N 2 2 292.431 0.415 20 0 CCADLP C[C@@H]1CN(Cc2cn(C)nn2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000343723928 137152602 /nfs/dbraw/zinc/15/26/02/137152602.db2.gz XZGYJBHGKAGQPB-CYBMUJFWSA-N 2 2 292.431 0.415 20 0 CCADLP NC(=O)[C@@H]1CCO[C@@H]1C1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000343822421 137159748 /nfs/dbraw/zinc/15/97/48/137159748.db2.gz IRKISYJVWRMMBF-ZIAGYGMSSA-N 2 2 292.383 0.486 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000344005132 137173380 /nfs/dbraw/zinc/17/33/80/137173380.db2.gz DXKRQBYPBYADBL-CFVMTHIKSA-N 2 2 295.427 0.554 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(OCC(N)=O)c2)C1 ZINC000344767897 137212099 /nfs/dbraw/zinc/21/20/99/137212099.db2.gz GDFGFVCAVUAWAE-DOMZBBRYSA-N 2 2 291.395 0.981 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(OCC(N)=O)c2)C1 ZINC000344767897 137212100 /nfs/dbraw/zinc/21/21/00/137212100.db2.gz GDFGFVCAVUAWAE-DOMZBBRYSA-N 2 2 291.395 0.981 20 0 CCADLP [NH3+]CCC[NH+]1CCN(Cc2cn3ccccc3n2)CC1 ZINC000037037839 348182758 /nfs/dbraw/zinc/18/27/58/348182758.db2.gz RWQZYIXKRLUUOE-UHFFFAOYSA-N 2 2 273.384 0.801 20 0 CCADLP CCCC[C@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000037619774 348194108 /nfs/dbraw/zinc/19/41/08/348194108.db2.gz VGNFPZMCZSQZKG-NEPJUHHUSA-N 2 2 257.378 0.341 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000040600001 348238666 /nfs/dbraw/zinc/23/86/66/348238666.db2.gz CHQABFWQJWUUSL-LLVKDONJSA-N 2 2 284.404 0.542 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000040600001 348238671 /nfs/dbraw/zinc/23/86/71/348238671.db2.gz CHQABFWQJWUUSL-LLVKDONJSA-N 2 2 284.404 0.542 20 0 CCADLP CCCCn1nnnc1C[NH+]1CCC(C[NH3+])CC1 ZINC000044513783 348321173 /nfs/dbraw/zinc/32/11/73/348321173.db2.gz LCMHGNPLHYQHHO-UHFFFAOYSA-N 2 2 252.366 0.644 20 0 CCADLP COC(=O)[C@]1(C)C[C@H](OC)C[N@@H+]1CCc1c[nH+]cn1C ZINC000602934594 362896624 /nfs/dbraw/zinc/89/66/24/362896624.db2.gz HRXPRXKXUGIPGJ-JSGCOSHPSA-N 2 2 281.356 0.615 20 0 CCADLP COC(=O)[C@]1(C)C[C@H](OC)C[N@H+]1CCc1c[nH+]cn1C ZINC000602934594 362896626 /nfs/dbraw/zinc/89/66/26/362896626.db2.gz HRXPRXKXUGIPGJ-JSGCOSHPSA-N 2 2 281.356 0.615 20 0 CCADLP C([C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC000346994071 137314919 /nfs/dbraw/zinc/31/49/19/137314919.db2.gz BREUTAZNTGSHQB-GJZGRUSLSA-N 3 2 267.417 0.640 20 0 CCADLP C([C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC000346994071 137314920 /nfs/dbraw/zinc/31/49/20/137314920.db2.gz BREUTAZNTGSHQB-GJZGRUSLSA-N 3 2 267.417 0.640 20 0 CCADLP Cc1[nH]ncc1C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000347017902 137316050 /nfs/dbraw/zinc/31/60/50/137316050.db2.gz KVGXBTXEXHTFOB-NSHDSACASA-N 2 2 265.361 0.005 20 0 CCADLP Cc1[nH]ncc1C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000347017902 137316051 /nfs/dbraw/zinc/31/60/51/137316051.db2.gz KVGXBTXEXHTFOB-NSHDSACASA-N 2 2 265.361 0.005 20 0 CCADLP COC(=O)[C@@]1(C)C[C@@H](OC)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000602947881 362904904 /nfs/dbraw/zinc/90/49/04/362904904.db2.gz ZFSPNJMSAMPBNF-TZMCWYRMSA-N 2 2 281.356 0.926 20 0 CCADLP COC(=O)[C@@]1(C)C[C@@H](OC)C[N@H+]1CCCn1cc[nH+]c1 ZINC000602947881 362904906 /nfs/dbraw/zinc/90/49/06/362904906.db2.gz ZFSPNJMSAMPBNF-TZMCWYRMSA-N 2 2 281.356 0.926 20 0 CCADLP C[C@H]1C[N@H+](Cc2ccc(C(=O)N(C)C)[nH]2)CC[C@@H]1[NH3+] ZINC000347147842 137322782 /nfs/dbraw/zinc/32/27/82/137322782.db2.gz YRDDHKNQYKHQST-JQWIXIFHSA-N 2 2 264.373 0.886 20 0 CCADLP C[C@H]1C[N@@H+](Cc2ccc(C(=O)N(C)C)[nH]2)CC[C@@H]1[NH3+] ZINC000347147842 137322783 /nfs/dbraw/zinc/32/27/83/137322783.db2.gz YRDDHKNQYKHQST-JQWIXIFHSA-N 2 2 264.373 0.886 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(C(=O)OC)[nH]2)C1 ZINC000347197696 137325051 /nfs/dbraw/zinc/32/50/51/137325051.db2.gz HZHFGGHTIUCIRL-JTQLQIEISA-N 2 2 251.330 0.843 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)OC)[nH]2)C1 ZINC000347197696 137325052 /nfs/dbraw/zinc/32/50/52/137325052.db2.gz HZHFGGHTIUCIRL-JTQLQIEISA-N 2 2 251.330 0.843 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)CCCC[NH+]1CCOCC1 ZINC000347360534 137333076 /nfs/dbraw/zinc/33/30/76/137333076.db2.gz HKWKQJVHRLEJNX-UHFFFAOYSA-N 2 2 294.399 0.881 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccon2)CC1 ZINC000349235040 137390250 /nfs/dbraw/zinc/39/02/50/137390250.db2.gz FTTHFYXBJIBSIA-VXGBXAGGSA-N 2 2 280.372 0.878 20 0 CCADLP CN(C)c1ccc(CNC(=O)CCOC2C[NH2+]C2)c[nH+]1 ZINC000348991496 137382634 /nfs/dbraw/zinc/38/26/34/137382634.db2.gz HACPUAUVWDQBQI-UHFFFAOYSA-N 2 2 278.356 0.142 20 0 CCADLP C[C@@]1(C(=O)N2CC[NH+](Cc3ccncc3)CC2)CC[NH2+]C1 ZINC000062894610 348672073 /nfs/dbraw/zinc/67/20/73/348672073.db2.gz FJPDAYWNMPWNMN-MRXNPFEDSA-N 2 2 288.395 0.725 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000062331227 348667467 /nfs/dbraw/zinc/66/74/67/348667467.db2.gz XWVCKZSTGLKAGZ-QWRGUYRKSA-N 2 2 250.346 0.896 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000062854773 348669805 /nfs/dbraw/zinc/66/98/05/348669805.db2.gz HRKGPXXJQQKKLZ-TZMCWYRMSA-N 2 2 269.389 0.213 20 0 CCADLP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2nc(C3CC3)no2)C1 ZINC000063179739 348681867 /nfs/dbraw/zinc/68/18/67/348681867.db2.gz XQKCGCOOXFBBBC-NSHDSACASA-N 2 2 293.371 0.234 20 0 CCADLP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2nc(C3CC3)no2)C1 ZINC000063179739 348681871 /nfs/dbraw/zinc/68/18/71/348681871.db2.gz XQKCGCOOXFBBBC-NSHDSACASA-N 2 2 293.371 0.234 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000070172822 348877005 /nfs/dbraw/zinc/87/70/05/348877005.db2.gz SETVVASOYKPXFH-NEPJUHHUSA-N 2 2 250.346 0.859 20 0 CCADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000072857827 348935384 /nfs/dbraw/zinc/93/53/84/348935384.db2.gz CJEMDOULAXSSQD-RYUDHWBXSA-N 2 2 253.390 0.927 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000072857827 348935387 /nfs/dbraw/zinc/93/53/87/348935387.db2.gz CJEMDOULAXSSQD-RYUDHWBXSA-N 2 2 253.390 0.927 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000072857827 348935389 /nfs/dbraw/zinc/93/53/89/348935389.db2.gz CJEMDOULAXSSQD-RYUDHWBXSA-N 2 2 253.390 0.927 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000072857827 348935392 /nfs/dbraw/zinc/93/53/92/348935392.db2.gz CJEMDOULAXSSQD-RYUDHWBXSA-N 2 2 253.390 0.927 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH+]1CCCC1 ZINC000072987570 348940245 /nfs/dbraw/zinc/94/02/45/348940245.db2.gz ZYHKTSHNHSRZKN-GFCCVEGCSA-N 2 2 250.346 0.731 20 0 CCADLP C[C@@H](CNc1cc[nH+]c(N(C)C)n1)N1CC[NH+](C)CC1 ZINC000077215855 349102861 /nfs/dbraw/zinc/10/28/61/349102861.db2.gz VKCXMRNFHWABGN-LBPRGKRZSA-N 2 2 278.404 0.590 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC000076003715 349063282 /nfs/dbraw/zinc/06/32/82/349063282.db2.gz ZJOCOGBGPPXPSJ-LBPRGKRZSA-N 2 2 253.390 0.929 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC000076003715 349063283 /nfs/dbraw/zinc/06/32/83/349063283.db2.gz ZJOCOGBGPPXPSJ-LBPRGKRZSA-N 2 2 253.390 0.929 20 0 CCADLP C[C@@]1(C(=O)N2CCN(c3cccc[nH+]3)CC2)CCC[NH2+]1 ZINC000079510731 349181137 /nfs/dbraw/zinc/18/11/37/349181137.db2.gz FIVLEMSVZRMYDU-HNNXBMFYSA-N 2 2 274.368 0.872 20 0 CCADLP Cc1csc([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)n1 ZINC000080313620 349208453 /nfs/dbraw/zinc/20/84/53/349208453.db2.gz SFSCQGPIYSVSOP-NSHDSACASA-N 2 2 282.413 0.876 20 0 CCADLP COC(=O)CNC(=O)CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080961061 349235977 /nfs/dbraw/zinc/23/59/77/349235977.db2.gz QWGJRQYKDZOCNA-LLVKDONJSA-N 2 2 294.355 0.268 20 0 CCADLP COC(=O)CNC(=O)CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080961061 349235980 /nfs/dbraw/zinc/23/59/80/349235980.db2.gz QWGJRQYKDZOCNA-LLVKDONJSA-N 2 2 294.355 0.268 20 0 CCADLP C[C@H](CS(C)(=O)=O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000081902391 349287648 /nfs/dbraw/zinc/28/76/48/349287648.db2.gz HKRXQMYUWLUKNK-WAAKLRNESA-N 2 2 260.403 0.634 20 0 CCADLP C[C@H](CS(C)(=O)=O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000081902391 349287649 /nfs/dbraw/zinc/28/76/49/349287649.db2.gz HKRXQMYUWLUKNK-WAAKLRNESA-N 2 2 260.403 0.634 20 0 CCADLP C[NH+](C)CCN(Cc1ccco1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000088229954 349358924 /nfs/dbraw/zinc/35/89/24/349358924.db2.gz FYAYUBWUPDFRPK-AWEZNQCLSA-N 2 2 295.383 0.500 20 0 CCADLP C[NH+](C)CCN(Cc1ccco1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000088229954 349358927 /nfs/dbraw/zinc/35/89/27/349358927.db2.gz FYAYUBWUPDFRPK-AWEZNQCLSA-N 2 2 295.383 0.500 20 0 CCADLP CN(C)c1nc(N2CC[NH+](CC(C)(C)O)CC2)cc[nH+]1 ZINC000084439330 349321396 /nfs/dbraw/zinc/32/13/96/349321396.db2.gz SQXIFMJWQPEPTP-UHFFFAOYSA-N 2 2 279.388 0.436 20 0 CCADLP [NH3+]C1(C(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000088130368 349357003 /nfs/dbraw/zinc/35/70/03/349357003.db2.gz MOZDAHKYTXQLBZ-UHFFFAOYSA-N 2 2 265.382 0.884 20 0 CCADLP O[C@@H](C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)C(F)(F)F ZINC000121315867 350032253 /nfs/dbraw/zinc/03/22/53/350032253.db2.gz NRXASGMBLHERNR-NEPJUHHUSA-N 2 2 296.333 0.954 20 0 CCADLP O[C@@H](C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)C(F)(F)F ZINC000121315867 350032255 /nfs/dbraw/zinc/03/22/55/350032255.db2.gz NRXASGMBLHERNR-NEPJUHHUSA-N 2 2 296.333 0.954 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC2CCCCC2)[C@H](C[NH3+])C1 ZINC000122661549 350067533 /nfs/dbraw/zinc/06/75/33/350067533.db2.gz XQLYFHGUWANSLZ-GFCCVEGCSA-N 2 2 254.378 0.603 20 0 CCADLP C[N@H+]1CCN(C(=O)NC2CCCCC2)[C@H](C[NH3+])C1 ZINC000122661549 350067538 /nfs/dbraw/zinc/06/75/38/350067538.db2.gz XQLYFHGUWANSLZ-GFCCVEGCSA-N 2 2 254.378 0.603 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000122868127 350070001 /nfs/dbraw/zinc/07/00/01/350070001.db2.gz VVFIQVKRKOMRFD-NEPJUHHUSA-N 2 2 284.404 0.672 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000122868127 350070004 /nfs/dbraw/zinc/07/00/04/350070004.db2.gz VVFIQVKRKOMRFD-NEPJUHHUSA-N 2 2 284.404 0.672 20 0 CCADLP C[NH2+]CCC[N@H+](C)Cc1ccc(C(=O)OC)cn1 ZINC000124698700 350105287 /nfs/dbraw/zinc/10/52/87/350105287.db2.gz DCENBTCMOODVQN-UHFFFAOYSA-N 2 2 251.330 0.910 20 0 CCADLP C[NH2+]CCC[N@@H+](C)Cc1ccc(C(=O)OC)cn1 ZINC000124698700 350105292 /nfs/dbraw/zinc/10/52/92/350105292.db2.gz DCENBTCMOODVQN-UHFFFAOYSA-N 2 2 251.330 0.910 20 0 CCADLP C[NH2+]CCC[N@H+](C)CC(=O)NCc1ccccc1F ZINC000124904433 350110603 /nfs/dbraw/zinc/11/06/03/350110603.db2.gz MINYKBBHOZXZHI-UHFFFAOYSA-N 2 2 267.348 0.983 20 0 CCADLP C[NH2+]CCC[N@@H+](C)CC(=O)NCc1ccccc1F ZINC000124904433 350110607 /nfs/dbraw/zinc/11/06/07/350110607.db2.gz MINYKBBHOZXZHI-UHFFFAOYSA-N 2 2 267.348 0.983 20 0 CCADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCC2CC2)CC[N@@H+]1C ZINC000123857032 350084791 /nfs/dbraw/zinc/08/47/91/350084791.db2.gz QOMAXTWKNYTTIK-DGCLKSJQSA-N 2 2 253.390 0.927 20 0 CCADLP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCC2CC2)CC[N@H+]1C ZINC000123857032 350084794 /nfs/dbraw/zinc/08/47/94/350084794.db2.gz QOMAXTWKNYTTIK-DGCLKSJQSA-N 2 2 253.390 0.927 20 0 CCADLP C[C@@H]1C[C@H]([N@H+](C)CC(=O)NCC2CC2)CC[NH+]1C ZINC000123857032 350084798 /nfs/dbraw/zinc/08/47/98/350084798.db2.gz QOMAXTWKNYTTIK-DGCLKSJQSA-N 2 2 253.390 0.927 20 0 CCADLP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)NCC2CC2)CC[NH+]1C ZINC000123857032 350084803 /nfs/dbraw/zinc/08/48/03/350084803.db2.gz QOMAXTWKNYTTIK-DGCLKSJQSA-N 2 2 253.390 0.927 20 0 CCADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(=O)n3[nH]ccc3n2)CC[N@@H+]1C ZINC000124040276 350087855 /nfs/dbraw/zinc/08/78/55/350087855.db2.gz FKKXZHZPKVKTAL-DGCLKSJQSA-N 2 2 289.383 0.937 20 0 CCADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(=O)n3[nH]ccc3n2)CC[N@H+]1C ZINC000124040276 350087856 /nfs/dbraw/zinc/08/78/56/350087856.db2.gz FKKXZHZPKVKTAL-DGCLKSJQSA-N 2 2 289.383 0.937 20 0 CCADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(=O)n3[nH]ccc3n2)CC[NH+]1C ZINC000124040276 350087857 /nfs/dbraw/zinc/08/78/57/350087857.db2.gz FKKXZHZPKVKTAL-DGCLKSJQSA-N 2 2 289.383 0.937 20 0 CCADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(=O)n3[nH]ccc3n2)CC[NH+]1C ZINC000124040276 350087859 /nfs/dbraw/zinc/08/78/59/350087859.db2.gz FKKXZHZPKVKTAL-DGCLKSJQSA-N 2 2 289.383 0.937 20 0 CCADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(=O)n3[nH]ccc3n2)CC[N@@H+]1C ZINC000124040476 350088495 /nfs/dbraw/zinc/08/84/95/350088495.db2.gz FKKXZHZPKVKTAL-WCQYABFASA-N 2 2 289.383 0.937 20 0 CCADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(=O)n3[nH]ccc3n2)CC[N@H+]1C ZINC000124040476 350088496 /nfs/dbraw/zinc/08/84/96/350088496.db2.gz FKKXZHZPKVKTAL-WCQYABFASA-N 2 2 289.383 0.937 20 0 CCADLP C[C@H]1C[C@H]([N@H+](C)Cc2cc(=O)n3[nH]ccc3n2)CC[NH+]1C ZINC000124040476 350088497 /nfs/dbraw/zinc/08/84/97/350088497.db2.gz FKKXZHZPKVKTAL-WCQYABFASA-N 2 2 289.383 0.937 20 0 CCADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(=O)n3[nH]ccc3n2)CC[NH+]1C ZINC000124040476 350088498 /nfs/dbraw/zinc/08/84/98/350088498.db2.gz FKKXZHZPKVKTAL-WCQYABFASA-N 2 2 289.383 0.937 20 0 CCADLP C[C@@H](C(=O)N(C)C)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000126423598 350146541 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C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000105130179 186043584 /nfs/dbraw/zinc/04/35/84/186043584.db2.gz YYAHJXCZLHBDDX-OLZOCXBDSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](O)CNc1cc(N[C@H]2CCn3cc[nH+]c3C2)nc[nH+]1 ZINC000413245250 233394323 /nfs/dbraw/zinc/39/43/23/233394323.db2.gz FZIYGDPPBFYQNZ-QWRGUYRKSA-N 2 2 288.355 0.893 20 0 CCADLP C[C@H](O)CNc1cc(N[C@H]2CCn3cc[nH+]c3C2)[nH+]cn1 ZINC000413245250 233394337 /nfs/dbraw/zinc/39/43/37/233394337.db2.gz FZIYGDPPBFYQNZ-QWRGUYRKSA-N 2 2 288.355 0.893 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1CNc1nc[nH+]c(N)c1OC ZINC000134817510 350376191 /nfs/dbraw/zinc/37/61/91/350376191.db2.gz GAZSGXVOJTZOSK-SECBINFHSA-N 2 2 251.334 0.964 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CNc1nc[nH+]c(N)c1OC ZINC000134817510 350376195 /nfs/dbraw/zinc/37/61/95/350376195.db2.gz GAZSGXVOJTZOSK-SECBINFHSA-N 2 2 251.334 0.964 20 0 CCADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCc2ccccc21 ZINC000107573617 186179346 /nfs/dbraw/zinc/17/93/46/186179346.db2.gz VIRXWIGGOQXYTR-OKILXGFUSA-N 2 2 271.364 0.727 20 0 CCADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCc2ccccc21 ZINC000107573617 186179348 /nfs/dbraw/zinc/17/93/48/186179348.db2.gz VIRXWIGGOQXYTR-OKILXGFUSA-N 2 2 271.364 0.727 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCOc2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000162330071 350741972 /nfs/dbraw/zinc/74/19/72/350741972.db2.gz NXRDVIMSDBUJKS-CYBMUJFWSA-N 2 2 295.358 0.696 20 0 CCADLP C[N@H+]1CCN(C(=O)CCOc2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000162330071 350741975 /nfs/dbraw/zinc/74/19/75/350741975.db2.gz NXRDVIMSDBUJKS-CYBMUJFWSA-N 2 2 295.358 0.696 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1COCC[NH2+]1)c1cccc(F)c1 ZINC000163591018 350768678 /nfs/dbraw/zinc/76/86/78/350768678.db2.gz MWQFZWGCBMEVID-KBPBESRZSA-N 2 2 295.358 0.533 20 0 CCADLP O=C([C@@H]1CSC[NH2+]1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000165555208 350791034 /nfs/dbraw/zinc/79/10/34/350791034.db2.gz MMMVXJIIGBHPJT-UWVGGRQHSA-N 2 2 266.370 0.778 20 0 CCADLP C[N@@H+]1CCN(Cc2cncc(Br)c2)[C@H](C[NH3+])C1 ZINC000167451681 350810043 /nfs/dbraw/zinc/81/00/43/350810043.db2.gz ZCJSDEARAHBPBW-GFCCVEGCSA-N 2 2 299.216 0.919 20 0 CCADLP C[N@H+]1CCN(Cc2cncc(Br)c2)[C@H](C[NH3+])C1 ZINC000167451681 350810047 /nfs/dbraw/zinc/81/00/47/350810047.db2.gz ZCJSDEARAHBPBW-GFCCVEGCSA-N 2 2 299.216 0.919 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170843986 350866703 /nfs/dbraw/zinc/86/67/03/350866703.db2.gz MRTZWKINDNULFT-JTQLQIEISA-N 2 2 292.339 0.191 20 0 CCADLP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000171529484 350914053 /nfs/dbraw/zinc/91/40/53/350914053.db2.gz QWDCNZSPATWFOE-GJZGRUSLSA-N 2 2 296.459 0.613 20 0 CCADLP CC[C@H](C)NC(=O)C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000171529484 350914055 /nfs/dbraw/zinc/91/40/55/350914055.db2.gz QWDCNZSPATWFOE-GJZGRUSLSA-N 2 2 296.459 0.613 20 0 CCADLP C[NH+](C)[C@H]1CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)C1 ZINC000171543917 350915051 /nfs/dbraw/zinc/91/50/51/350915051.db2.gz UFYYARARWPQRJS-QWHCGFSZSA-N 2 2 291.399 0.578 20 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/nfs/dbraw/zinc/23/94/14/351239414.db2.gz XTVAFUCOKZESIT-KBPBESRZSA-N 3 2 282.432 0.223 20 0 CCADLP C[C@H]1CC[C@H]([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000178905763 351252199 /nfs/dbraw/zinc/25/21/99/351252199.db2.gz XXXXJLJWJOJMIB-SOUVJXGZSA-N 2 2 295.427 0.698 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000180594048 351289667 /nfs/dbraw/zinc/28/96/67/351289667.db2.gz GMDXBPDYEBMJRL-CABCVRRESA-N 3 2 296.459 0.423 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000180594048 351289669 /nfs/dbraw/zinc/28/96/69/351289669.db2.gz GMDXBPDYEBMJRL-CABCVRRESA-N 3 2 296.459 0.423 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000180594048 351289673 /nfs/dbraw/zinc/28/96/73/351289673.db2.gz GMDXBPDYEBMJRL-CABCVRRESA-N 3 2 296.459 0.423 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000180594048 351289674 /nfs/dbraw/zinc/28/96/74/351289674.db2.gz GMDXBPDYEBMJRL-CABCVRRESA-N 3 2 296.459 0.423 20 0 CCADLP Cc1c[nH+]ccc1N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000191977458 351779535 /nfs/dbraw/zinc/77/95/35/351779535.db2.gz VTPNBKAQJLGYPI-UHFFFAOYSA-N 2 2 274.368 0.791 20 0 CCADLP O=C(NCCn1cc[nH+]c1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000192681397 351793799 /nfs/dbraw/zinc/79/37/99/351793799.db2.gz LKDGHMPJZBVRJG-AWEZNQCLSA-N 2 2 292.383 0.643 20 0 CCADLP O=C(NCCn1cc[nH+]c1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000192681397 351793804 /nfs/dbraw/zinc/79/38/04/351793804.db2.gz LKDGHMPJZBVRJG-AWEZNQCLSA-N 2 2 292.383 0.643 20 0 CCADLP CC[N@H+](CC(N)=O)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000191721347 351769592 /nfs/dbraw/zinc/76/95/92/351769592.db2.gz ULAIQFJDVNKXNX-UHFFFAOYSA-N 2 2 259.313 0.575 20 0 CCADLP CC[N@@H+](CC(N)=O)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000191721347 351769595 /nfs/dbraw/zinc/76/95/95/351769595.db2.gz ULAIQFJDVNKXNX-UHFFFAOYSA-N 2 2 259.313 0.575 20 0 CCADLP c1cn(CCC[N@@H+]2CCOC[C@]23CCOC3)c[nH+]1 ZINC000193705042 351841424 /nfs/dbraw/zinc/84/14/24/351841424.db2.gz PYTRKLZPSYZOFY-CYBMUJFWSA-N 2 2 251.330 0.765 20 0 CCADLP c1cn(CCC[N@H+]2CCOC[C@]23CCOC3)c[nH+]1 ZINC000193705042 351841426 /nfs/dbraw/zinc/84/14/26/351841426.db2.gz PYTRKLZPSYZOFY-CYBMUJFWSA-N 2 2 251.330 0.765 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000195156734 351900261 /nfs/dbraw/zinc/90/02/61/351900261.db2.gz WEWWVQXGDZHLQJ-LBPRGKRZSA-N 2 2 262.357 0.763 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H]2CC[C@@H](O)C2)n1C ZINC000227551518 352053833 /nfs/dbraw/zinc/05/38/33/352053833.db2.gz JFYFGUKDXLIJDH-CMPLNLGQSA-N 2 2 252.362 0.737 20 0 CCADLP COc1cc(C)[nH+]c(CNC[C@@](C)(O)C[NH+](C)C)c1 ZINC000225911889 352017892 /nfs/dbraw/zinc/01/78/92/352017892.db2.gz WQIYMKSJNBMQEM-CQSZACIVSA-N 2 2 267.373 0.801 20 0 CCADLP NC(=O)NC(=O)CC[N@H+](CC[NH3+])Cc1ccccc1 ZINC000231784328 352133569 /nfs/dbraw/zinc/13/35/69/352133569.db2.gz BYPASDJTQQFBTD-UHFFFAOYSA-N 2 2 264.329 0.032 20 0 CCADLP NC(=O)NC(=O)CC[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000231784328 352133572 /nfs/dbraw/zinc/13/35/72/352133572.db2.gz BYPASDJTQQFBTD-UHFFFAOYSA-N 2 2 264.329 0.032 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCC[S@](C)=O)n1C ZINC000229197458 352089033 /nfs/dbraw/zinc/08/90/33/352089033.db2.gz JPOPDPOOGDJOGX-KRWDZBQOSA-N 2 2 258.391 0.344 20 0 CCADLP [NH3+]C[C@H]1CCCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655413882 412562248 /nfs/dbraw/zinc/56/22/48/412562248.db2.gz LJYXHDHJXZTXLZ-NWDGAFQWSA-N 2 2 262.357 0.785 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000235115072 352180208 /nfs/dbraw/zinc/18/02/08/352180208.db2.gz GYQVDYWJKXDTFC-QWHCGFSZSA-N 2 2 283.416 0.602 20 0 CCADLP CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000236762052 352211031 /nfs/dbraw/zinc/21/10/31/352211031.db2.gz OFDXPEAUMQEZRQ-CHWSQXEVSA-N 2 2 269.389 0.483 20 0 CCADLP CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000236762052 352211035 /nfs/dbraw/zinc/21/10/35/352211035.db2.gz OFDXPEAUMQEZRQ-CHWSQXEVSA-N 2 2 269.389 0.483 20 0 CCADLP C[C@H](CNC(=O)[C@H]([NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000237460649 352265609 /nfs/dbraw/zinc/26/56/09/352265609.db2.gz TWTKZQMIIOAHDQ-TZMCWYRMSA-N 2 2 277.368 0.523 20 0 CCADLP C[C@@H](C(=O)Nc1ccc2[nH+]ccn2c1)N1CC[NH+](C)CC1 ZINC000603884100 363165100 /nfs/dbraw/zinc/16/51/00/363165100.db2.gz PKFHGPLNCSNDSW-LBPRGKRZSA-N 2 2 287.367 0.909 20 0 CCADLP Cc1cccn2cc(CNC(=O)[C@H]3COCC[NH2+]3)[nH+]c12 ZINC000237776091 352282718 /nfs/dbraw/zinc/28/27/18/352282718.db2.gz JPBGNHVOZBSZOC-GFCCVEGCSA-N 2 2 274.324 0.247 20 0 CCADLP [NH3+]CCC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000237868470 352286080 /nfs/dbraw/zinc/28/60/80/352286080.db2.gz QILXTHMCVKMZBQ-UHFFFAOYSA-N 2 2 252.705 0.953 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000604171533 363179462 /nfs/dbraw/zinc/17/94/62/363179462.db2.gz RCNJTJBTSAADNI-OLZOCXBDSA-N 2 2 296.415 0.243 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000604171533 363179466 /nfs/dbraw/zinc/17/94/66/363179466.db2.gz RCNJTJBTSAADNI-OLZOCXBDSA-N 2 2 296.415 0.243 20 0 CCADLP C[NH+](CC(O)C[N@@H+](C)C[C@H]1CCCO1)C[C@H]1CCCO1 ZINC000245873940 352339535 /nfs/dbraw/zinc/33/95/35/352339535.db2.gz AIAWCDFHCMUPAS-HUUCEWRRSA-N 2 2 286.416 0.569 20 0 CCADLP C[NH+](CC(O)C[N@H+](C)C[C@H]1CCCO1)C[C@H]1CCCO1 ZINC000245873940 352339537 /nfs/dbraw/zinc/33/95/37/352339537.db2.gz AIAWCDFHCMUPAS-HUUCEWRRSA-N 2 2 286.416 0.569 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000246124255 352349180 /nfs/dbraw/zinc/34/91/80/352349180.db2.gz IPWYIYPXXPLECZ-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000246124255 352349185 /nfs/dbraw/zinc/34/91/85/352349185.db2.gz IPWYIYPXXPLECZ-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246139667 352349814 /nfs/dbraw/zinc/34/98/14/352349814.db2.gz DFWNBKJJZWMBCL-GJZGRUSLSA-N 2 2 297.443 0.945 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246139667 352349819 /nfs/dbraw/zinc/34/98/19/352349819.db2.gz DFWNBKJJZWMBCL-GJZGRUSLSA-N 2 2 297.443 0.945 20 0 CCADLP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246920019 352388638 /nfs/dbraw/zinc/38/86/38/352388638.db2.gz QAJAPCROMGQPTN-KBPBESRZSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246920019 352388643 /nfs/dbraw/zinc/38/86/43/352388643.db2.gz QAJAPCROMGQPTN-KBPBESRZSA-N 2 2 297.443 0.944 20 0 CCADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(N)=O)C1 ZINC000247106188 352398655 /nfs/dbraw/zinc/39/86/55/352398655.db2.gz IRUKBMSXEOOTIU-MNOVXSKESA-N 2 2 250.346 0.956 20 0 CCADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(N)=O)C1 ZINC000247106188 352398658 /nfs/dbraw/zinc/39/86/58/352398658.db2.gz IRUKBMSXEOOTIU-MNOVXSKESA-N 2 2 250.346 0.956 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CCO1 ZINC000249014211 352473193 /nfs/dbraw/zinc/47/31/93/352473193.db2.gz JAHGPYOGHXUHDW-HZPDHXFCSA-N 2 2 297.443 0.361 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CCO1 ZINC000249014211 352473196 /nfs/dbraw/zinc/47/31/96/352473196.db2.gz JAHGPYOGHXUHDW-HZPDHXFCSA-N 2 2 297.443 0.361 20 0 CCADLP O[C@H](C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)CC(F)(F)F ZINC000249281752 352484745 /nfs/dbraw/zinc/48/47/45/352484745.db2.gz KZJRRIMGBQCWOC-NEPJUHHUSA-N 2 2 296.333 0.954 20 0 CCADLP CN1CC[N@H+](C)[C@@H](CNC(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000250373384 352505354 /nfs/dbraw/zinc/50/53/54/352505354.db2.gz JMYSSYPGINVWCC-GJZGRUSLSA-N 2 2 290.411 0.439 20 0 CCADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000250373384 352505357 /nfs/dbraw/zinc/50/53/57/352505357.db2.gz JMYSSYPGINVWCC-GJZGRUSLSA-N 2 2 290.411 0.439 20 0 CCADLP CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C[NH3+])C1 ZINC000250964671 352509116 /nfs/dbraw/zinc/50/91/16/352509116.db2.gz ZHZJGSUYTICJDC-STQMWFEESA-N 2 2 289.445 0.471 20 0 CCADLP CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C[NH3+])C1 ZINC000250964671 352509119 /nfs/dbraw/zinc/50/91/19/352509119.db2.gz ZHZJGSUYTICJDC-STQMWFEESA-N 2 2 289.445 0.471 20 0 CCADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000252453372 352514855 /nfs/dbraw/zinc/51/48/55/352514855.db2.gz IGOVYZXOOCNMGB-SYQHCUMBSA-N 2 2 265.401 0.833 20 0 CCADLP COC(=O)CC[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000264181481 352595796 /nfs/dbraw/zinc/59/57/96/352595796.db2.gz KKGHSZGVAJZQJP-UHFFFAOYSA-N 2 2 279.340 0.775 20 0 CCADLP Cc1cc(N2CC[NH+](CCO)CC2)nc(C2CC2)[nH+]1 ZINC000264597846 352595866 /nfs/dbraw/zinc/59/58/66/352595866.db2.gz AMPYPFAVGYESOY-UHFFFAOYSA-N 2 2 262.357 0.777 20 0 CCADLP COC(=O)c1cn([C@@H]2CCC[N@H+](CC(C)(C)[NH3+])C2)nn1 ZINC000261965404 352568537 /nfs/dbraw/zinc/56/85/37/352568537.db2.gz PSBYZLWCNCPNOJ-SNVBAGLBSA-N 2 2 281.360 0.439 20 0 CCADLP COC(=O)c1cn([C@@H]2CCC[N@@H+](CC(C)(C)[NH3+])C2)nn1 ZINC000261965404 352568540 /nfs/dbraw/zinc/56/85/40/352568540.db2.gz PSBYZLWCNCPNOJ-SNVBAGLBSA-N 2 2 281.360 0.439 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C1(C[NH3+])CCOCC1 ZINC000262099980 352578059 /nfs/dbraw/zinc/57/80/59/352578059.db2.gz DPQWWNSSTNSGET-UHFFFAOYSA-N 2 2 265.313 0.784 20 0 CCADLP [NH3+]Cc1nc(CN2CC[C@H](CNc3cccc[nH+]3)C2)no1 ZINC000262138253 352581898 /nfs/dbraw/zinc/58/18/98/352581898.db2.gz DRLHHXUOAJTFQF-LLVKDONJSA-N 2 2 288.355 0.857 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+](CCn2ccccc2=O)CC1 ZINC000604388139 363193941 /nfs/dbraw/zinc/19/39/41/363193941.db2.gz NPVQUPTWXVHZGP-UHFFFAOYSA-N 2 2 293.411 0.627 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+](CCn2ccccc2=O)CC1 ZINC000604388139 363193945 /nfs/dbraw/zinc/19/39/45/363193945.db2.gz NPVQUPTWXVHZGP-UHFFFAOYSA-N 2 2 293.411 0.627 20 0 CCADLP CN(C[C@H](O)C[NH+]1CCOCC1)c1[nH+]cnc2[nH]ccc21 ZINC000267514429 352771166 /nfs/dbraw/zinc/77/11/66/352771166.db2.gz CXMMWHFFDXTLAI-NSHDSACASA-N 2 2 291.355 0.087 20 0 CCADLP C[C@H]([NH3+])[C@H](C)NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000418716871 234214097 /nfs/dbraw/zinc/21/40/97/234214097.db2.gz ZXYKWCITXPDIKR-RYUDHWBXSA-N 2 2 277.372 0.649 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000269720146 352868462 /nfs/dbraw/zinc/86/84/62/352868462.db2.gz XHFTUIMPJNFESC-JTQLQIEISA-N 2 2 268.386 0.772 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)N(C)Cc2[nH+]ccn2C)C1 ZINC000271648100 191258948 /nfs/dbraw/zinc/25/89/48/191258948.db2.gz ALBWOKAVSLBDSQ-LBPRGKRZSA-N 2 2 295.387 0.282 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)N(C)Cc2[nH+]ccn2C)C1 ZINC000271648100 191258951 /nfs/dbraw/zinc/25/89/51/191258951.db2.gz ALBWOKAVSLBDSQ-LBPRGKRZSA-N 2 2 295.387 0.282 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000154884276 188167851 /nfs/dbraw/zinc/16/78/51/188167851.db2.gz JTZIVAOAVLWVMZ-LBPRGKRZSA-N 2 2 266.345 0.062 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000154884276 188167852 /nfs/dbraw/zinc/16/78/52/188167852.db2.gz JTZIVAOAVLWVMZ-LBPRGKRZSA-N 2 2 266.345 0.062 20 0 CCADLP CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000604720276 363209439 /nfs/dbraw/zinc/20/94/39/363209439.db2.gz JGCYDBJSVCXELN-ZDUSSCGKSA-N 2 2 288.351 0.785 20 0 CCADLP CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc3[nH+]ccn3c2)C1 ZINC000604720276 363209443 /nfs/dbraw/zinc/20/94/43/363209443.db2.gz JGCYDBJSVCXELN-ZDUSSCGKSA-N 2 2 288.351 0.785 20 0 CCADLP C[NH+](C)CC(=O)Nc1cccc(NC(=O)C[NH+](C)C)c1 ZINC000292436310 198288375 /nfs/dbraw/zinc/28/83/75/198288375.db2.gz MTZCUFCSVOIXFV-UHFFFAOYSA-N 2 2 278.356 0.687 20 0 CCADLP C[C@@H]([NH3+])CCC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000277553474 353250299 /nfs/dbraw/zinc/25/02/99/353250299.db2.gz ZITKDTNYMMWOOV-GFCCVEGCSA-N 2 2 295.387 0.281 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)Nc1nc[nH+]c(N)c1Cl ZINC000277665386 353257480 /nfs/dbraw/zinc/25/74/80/353257480.db2.gz ZNPHMXOIBBTNCX-SECBINFHSA-N 2 2 284.795 0.760 20 0 CCADLP C[C@H]1CC[N@H+](CCC(=O)NC(N)=O)C[C@@H]1n1cc[nH+]c1 ZINC000156570633 188269807 /nfs/dbraw/zinc/26/98/07/188269807.db2.gz SAEZOSKDKBKSID-QWRGUYRKSA-N 2 2 279.344 0.351 20 0 CCADLP C[C@H]1CC[N@@H+](CCC(=O)NC(N)=O)C[C@@H]1n1cc[nH+]c1 ZINC000156570633 188269808 /nfs/dbraw/zinc/26/98/08/188269808.db2.gz SAEZOSKDKBKSID-QWRGUYRKSA-N 2 2 279.344 0.351 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N2CCOCC2)C[C@@H]1n1cc[nH+]c1 ZINC000156408516 188260541 /nfs/dbraw/zinc/26/05/41/188260541.db2.gz RMKTZDJTQWIABF-KGLIPLIRSA-N 2 2 292.383 0.625 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCOCC2)C[C@@H]1n1cc[nH+]c1 ZINC000156408516 188260542 /nfs/dbraw/zinc/26/05/42/188260542.db2.gz RMKTZDJTQWIABF-KGLIPLIRSA-N 2 2 292.383 0.625 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC000279799202 353316728 /nfs/dbraw/zinc/31/67/28/353316728.db2.gz NEPNKWCHUFLHOB-UHFFFAOYSA-N 2 2 280.372 0.569 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC000279799202 353316731 /nfs/dbraw/zinc/31/67/31/353316731.db2.gz NEPNKWCHUFLHOB-UHFFFAOYSA-N 2 2 280.372 0.569 20 0 CCADLP Cc1ccc([C@@H](CNC(=O)[C@@H](C)[NH3+])[NH+]2CCOCC2)s1 ZINC000157397076 188314866 /nfs/dbraw/zinc/31/48/66/188314866.db2.gz QHHOJEIASCRMHO-VXGBXAGGSA-N 2 2 297.424 0.893 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000280100189 353338228 /nfs/dbraw/zinc/33/82/28/353338228.db2.gz ZUACUNFKYSNGKQ-AWEZNQCLSA-N 2 2 294.399 0.316 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)[C@H](c2c[nH+]cn2C)N(C)C)CC1 ZINC000280790640 353383569 /nfs/dbraw/zinc/38/35/69/353383569.db2.gz OHGZESGXWMSMKW-AWEZNQCLSA-N 2 2 293.415 0.575 20 0 CCADLP CCC[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655450048 412577842 /nfs/dbraw/zinc/57/78/42/412577842.db2.gz AXAKCGSADDDXGT-LLVKDONJSA-N 2 2 250.346 0.561 20 0 CCADLP O=C(N[C@H]1CCC[NH2+]CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000655456273 412579257 /nfs/dbraw/zinc/57/92/57/412579257.db2.gz CJQMQEYNBGYKFG-RYUDHWBXSA-N 2 2 262.357 0.704 20 0 CCADLP C[C@@H]1[NH2+]CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H]1C ZINC000655458071 412580781 /nfs/dbraw/zinc/58/07/81/412580781.db2.gz KOKLNXZCJVZXPO-SDDRHHMPSA-N 2 2 262.357 0.654 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCCc1cn(C)c[nH+]1 ZINC000556765436 291004823 /nfs/dbraw/zinc/00/48/23/291004823.db2.gz VSEKDJZHFLMZHT-CYBMUJFWSA-N 2 2 279.388 0.698 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCCc1cn(C)c[nH+]1 ZINC000556765436 291004825 /nfs/dbraw/zinc/00/48/25/291004825.db2.gz VSEKDJZHFLMZHT-CYBMUJFWSA-N 2 2 279.388 0.698 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000289838634 353689174 /nfs/dbraw/zinc/68/91/74/353689174.db2.gz BQIDZECDTQULJN-LBPRGKRZSA-N 2 2 298.412 0.069 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000289986164 353699114 /nfs/dbraw/zinc/69/91/14/353699114.db2.gz OIBVFSKFXHKGBY-NSHDSACASA-N 2 2 262.313 0.233 20 0 CCADLP O=C(Cc1cn2ccccc2[nH+]1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000290043593 353703328 /nfs/dbraw/zinc/70/33/28/353703328.db2.gz GSSJKWRGTDDKHN-STQMWFEESA-N 2 2 284.363 0.945 20 0 CCADLP C[C@H]([C@H](C)S(C)(=O)=O)[N@H+](C)CCc1c[nH+]cn1C ZINC000290095980 353707757 /nfs/dbraw/zinc/70/77/57/353707757.db2.gz RQSYBOTUROPLQT-MNOVXSKESA-N 2 2 273.402 0.716 20 0 CCADLP C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)CCc1c[nH+]cn1C ZINC000290095980 353707759 /nfs/dbraw/zinc/70/77/59/353707759.db2.gz RQSYBOTUROPLQT-MNOVXSKESA-N 2 2 273.402 0.716 20 0 CCADLP CNC(=O)[C@H]1CCCC[N@@H+]1CCc1c[nH+]cn1C ZINC000290164232 353712338 /nfs/dbraw/zinc/71/23/38/353712338.db2.gz XVLOVXBFZPUMBW-GFCCVEGCSA-N 2 2 250.346 0.563 20 0 CCADLP CNC(=O)[C@H]1CCCC[N@H+]1CCc1c[nH+]cn1C ZINC000290164232 353712340 /nfs/dbraw/zinc/71/23/40/353712340.db2.gz XVLOVXBFZPUMBW-GFCCVEGCSA-N 2 2 250.346 0.563 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+](C)C[C@@H](O)Cc1ccccc1)C1CC1 ZINC000293504119 353816496 /nfs/dbraw/zinc/81/64/96/353816496.db2.gz ZXRFEWPBWVZBRK-DLBZAZTESA-N 2 2 292.423 0.977 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+](C)C[C@@H](O)Cc1ccccc1)C1CC1 ZINC000293504119 353816497 /nfs/dbraw/zinc/81/64/97/353816497.db2.gz ZXRFEWPBWVZBRK-DLBZAZTESA-N 2 2 292.423 0.977 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C[C@@H](O)Cc1ccccc1 ZINC000293504119 353816499 /nfs/dbraw/zinc/81/64/99/353816499.db2.gz ZXRFEWPBWVZBRK-DLBZAZTESA-N 2 2 292.423 0.977 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C[C@@H](O)Cc1ccccc1 ZINC000293504119 353816500 /nfs/dbraw/zinc/81/65/00/353816500.db2.gz ZXRFEWPBWVZBRK-DLBZAZTESA-N 2 2 292.423 0.977 20 0 CCADLP C[NH+](C)CCn1nccc1NC(=O)CCc1[nH]cc[nH+]1 ZINC000294007682 353860030 /nfs/dbraw/zinc/86/00/30/353860030.db2.gz IKYSFTWYKFEMGG-UHFFFAOYSA-N 2 2 276.344 0.739 20 0 CCADLP Cc1ccccc1[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000296291361 353940365 /nfs/dbraw/zinc/94/03/65/353940365.db2.gz FRKNCERZLDJGDI-DZGCQCFKSA-N 2 2 291.395 0.832 20 0 CCADLP O=S1(=O)CC[C@@H](C[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000683995022 545598219 /nfs/dbraw/zinc/59/82/19/545598219.db2.gz JVKCWNKERBILMK-ZDUSSCGKSA-N 2 2 295.408 0.638 20 0 CCADLP Cc1[nH+]cn(C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)c1C ZINC000304019070 354102856 /nfs/dbraw/zinc/10/28/56/354102856.db2.gz MLIKABQTHMUMBL-COPLHBTASA-N 2 2 267.373 0.970 20 0 CCADLP CC(C)OC[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000304352641 354114699 /nfs/dbraw/zinc/11/46/99/354114699.db2.gz VTWNQQHMMRFTHI-HUUCEWRRSA-N 2 2 286.416 0.426 20 0 CCADLP CC(C)OC[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000304352641 354114701 /nfs/dbraw/zinc/11/47/01/354114701.db2.gz VTWNQQHMMRFTHI-HUUCEWRRSA-N 2 2 286.416 0.426 20 0 CCADLP C[NH2+]CCCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655479143 412586860 /nfs/dbraw/zinc/58/68/60/412586860.db2.gz KUIZOWVANADTTQ-LLVKDONJSA-N 2 2 250.346 0.513 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](CO)OC[C@H]1C ZINC000305619232 354147679 /nfs/dbraw/zinc/14/76/79/354147679.db2.gz GPQMEHDQYIXNPQ-YPMHNXCESA-N 2 2 253.346 0.663 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](CO)OC[C@H]1C ZINC000305619232 354147684 /nfs/dbraw/zinc/14/76/84/354147684.db2.gz GPQMEHDQYIXNPQ-YPMHNXCESA-N 2 2 253.346 0.663 20 0 CCADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cccc(CO)c1 ZINC000305656326 354150050 /nfs/dbraw/zinc/15/00/50/354150050.db2.gz PSFJQNPJWQYXCJ-FZMZJTMJSA-N 2 2 252.358 0.752 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccco1 ZINC000311091719 354196793 /nfs/dbraw/zinc/19/67/93/354196793.db2.gz YYFGFCIFEUHONH-LBPRGKRZSA-N 2 2 256.346 0.651 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccco1 ZINC000311091719 354196796 /nfs/dbraw/zinc/19/67/96/354196796.db2.gz YYFGFCIFEUHONH-LBPRGKRZSA-N 2 2 256.346 0.651 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccco1 ZINC000311091719 354196799 /nfs/dbraw/zinc/19/67/99/354196799.db2.gz YYFGFCIFEUHONH-LBPRGKRZSA-N 2 2 256.346 0.651 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccco1 ZINC000311091719 354196801 /nfs/dbraw/zinc/19/68/01/354196801.db2.gz YYFGFCIFEUHONH-LBPRGKRZSA-N 2 2 256.346 0.651 20 0 CCADLP C[C@H](CCc1ccco1)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000557137339 291023627 /nfs/dbraw/zinc/02/36/27/291023627.db2.gz JMCOGEXKPLNVTI-OLZOCXBDSA-N 2 2 294.399 0.885 20 0 CCADLP C[C@H](CCc1ccco1)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000557137339 291023628 /nfs/dbraw/zinc/02/36/28/291023628.db2.gz JMCOGEXKPLNVTI-OLZOCXBDSA-N 2 2 294.399 0.885 20 0 CCADLP Cn1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1=O ZINC000607751703 363366269 /nfs/dbraw/zinc/36/62/69/363366269.db2.gz HXTUQAZORUODOR-HNNXBMFYSA-N 2 2 291.395 0.539 20 0 CCADLP Cn1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1=O ZINC000607751703 363366271 /nfs/dbraw/zinc/36/62/71/363366271.db2.gz HXTUQAZORUODOR-HNNXBMFYSA-N 2 2 291.395 0.539 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2CC[C@H](C(N)=O)C2)n1C ZINC000332741805 354733100 /nfs/dbraw/zinc/73/31/00/354733100.db2.gz ZQUVRKRYDQYKGE-VIFPVBQESA-N 2 2 251.334 0.843 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2CC[C@H](C(N)=O)C2)n1C ZINC000332741805 354733102 /nfs/dbraw/zinc/73/31/02/354733102.db2.gz ZQUVRKRYDQYKGE-VIFPVBQESA-N 2 2 251.334 0.843 20 0 CCADLP CCC([NH3+])(CC)CNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000332696397 354723616 /nfs/dbraw/zinc/72/36/16/354723616.db2.gz SOPGWEDQCAGJRP-QWHCGFSZSA-N 2 2 298.431 0.618 20 0 CCADLP CCC([NH3+])(CC)CNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000332696397 354723619 /nfs/dbraw/zinc/72/36/19/354723619.db2.gz SOPGWEDQCAGJRP-QWHCGFSZSA-N 2 2 298.431 0.618 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000333653724 354770967 /nfs/dbraw/zinc/77/09/67/354770967.db2.gz WFBUAVIGNAVZDP-CHWSQXEVSA-N 2 2 284.404 0.134 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000333653724 354770970 /nfs/dbraw/zinc/77/09/70/354770970.db2.gz WFBUAVIGNAVZDP-CHWSQXEVSA-N 2 2 284.404 0.134 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333677178 354775425 /nfs/dbraw/zinc/77/54/25/354775425.db2.gz OEXOMSLQCHHOMW-IIAWOOMASA-N 2 2 295.427 0.746 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333677178 354775429 /nfs/dbraw/zinc/77/54/29/354775429.db2.gz OEXOMSLQCHHOMW-IIAWOOMASA-N 2 2 295.427 0.746 20 0 CCADLP O=C(NC[C@H]1CCC[NH2+]1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000333709079 354780002 /nfs/dbraw/zinc/78/00/02/354780002.db2.gz RZGUJKUKCVNRBT-ZIAGYGMSSA-N 2 2 296.415 0.245 20 0 CCADLP O=C(NC[C@H]1CCC[NH2+]1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000333709077 354780334 /nfs/dbraw/zinc/78/03/34/354780334.db2.gz RZGUJKUKCVNRBT-KGLIPLIRSA-N 2 2 296.415 0.245 20 0 CCADLP [NH3+]C[C@H]1CCCCN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000333748827 354788100 /nfs/dbraw/zinc/78/81/00/354788100.db2.gz JRVIXQRNTFSREL-CYBMUJFWSA-N 2 2 296.415 0.374 20 0 CCADLP C[C@]1(CNC(=O)N2CCn3cc[nH+]c3C2)CCC[NH2+]C1 ZINC000333808754 354798551 /nfs/dbraw/zinc/79/85/51/354798551.db2.gz IWTTUYVSKCKZOE-AWEZNQCLSA-N 2 2 277.372 0.798 20 0 CCADLP Cc1nc(N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)nc(N(C)C)[nH+]1 ZINC000532021746 358491308 /nfs/dbraw/zinc/49/13/08/358491308.db2.gz RWDWRWQUPHPZDD-BXKDBHETSA-N 2 2 276.388 0.563 20 0 CCADLP Cc1nc(N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)nc(N(C)C)[nH+]1 ZINC000532021746 358491313 /nfs/dbraw/zinc/49/13/13/358491313.db2.gz RWDWRWQUPHPZDD-BXKDBHETSA-N 2 2 276.388 0.563 20 0 CCADLP Cc1nc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)nc(N(C)C)[nH+]1 ZINC000532014873 358490791 /nfs/dbraw/zinc/49/07/91/358490791.db2.gz DASMGXJLFWROGW-NEPJUHHUSA-N 2 2 276.388 0.707 20 0 CCADLP Cc1nc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)nc(N(C)C)[nH+]1 ZINC000532014873 358490792 /nfs/dbraw/zinc/49/07/92/358490792.db2.gz DASMGXJLFWROGW-NEPJUHHUSA-N 2 2 276.388 0.707 20 0 CCADLP COC[C@H](CC(C)(C)C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000655496035 412597664 /nfs/dbraw/zinc/59/76/64/412597664.db2.gz AKNWRULUAIKDAZ-NWDGAFQWSA-N 2 2 273.421 0.833 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000334186427 354857007 /nfs/dbraw/zinc/85/70/07/354857007.db2.gz GJEQUKLMRWEOFO-VXGBXAGGSA-N 2 2 262.357 0.830 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000334186427 354857009 /nfs/dbraw/zinc/85/70/09/354857009.db2.gz GJEQUKLMRWEOFO-VXGBXAGGSA-N 2 2 262.357 0.830 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[NH2+][C@H](C)C1 ZINC000334599630 354906549 /nfs/dbraw/zinc/90/65/49/354906549.db2.gz PMQIZEAEPPABLM-MNOVXSKESA-N 2 2 251.334 0.275 20 0 CCADLP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCC2(C1)CC[NH2+]CC2 ZINC000334838786 354935200 /nfs/dbraw/zinc/93/52/00/354935200.db2.gz XXBGELUZTJSDPA-SNVBAGLBSA-N 2 2 273.327 0.586 20 0 CCADLP O=C(Cc1cn2ccccc2[nH+]1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000334652577 354918297 /nfs/dbraw/zinc/91/82/97/354918297.db2.gz LIXLQAGGHKAUFC-LLVKDONJSA-N 2 2 294.305 0.990 20 0 CCADLP C[C@@H](CC(=O)N(C)CC[NH+]1CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000423748959 235054192 /nfs/dbraw/zinc/05/41/92/235054192.db2.gz VDYGKHSOSUDOQI-GJZGRUSLSA-N 2 2 297.443 0.803 20 0 CCADLP O=C(NCc1ccn2cc[nH+]c2c1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000336597286 355118137 /nfs/dbraw/zinc/11/81/37/355118137.db2.gz WREGTXMDCXWLIC-WFASDCNBSA-N 2 2 270.336 0.950 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)[C@@H](C)C[N@@H+]1C ZINC000336131056 355099260 /nfs/dbraw/zinc/09/92/60/355099260.db2.gz GRUAMBCAHUDWFY-NEPJUHHUSA-N 2 2 264.373 0.904 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)[C@@H](C)C[N@H+]1C ZINC000336131056 355099265 /nfs/dbraw/zinc/09/92/65/355099265.db2.gz GRUAMBCAHUDWFY-NEPJUHHUSA-N 2 2 264.373 0.904 20 0 CCADLP CC[N@H+](C)C[C@@H]1CC[NH+](CCS(=O)(=O)N(C)C)C1 ZINC000336787913 355160824 /nfs/dbraw/zinc/16/08/24/355160824.db2.gz NEJNLXGKIFZTPU-LBPRGKRZSA-N 2 2 277.434 0.151 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CCS(=O)(=O)N(C)C)C1 ZINC000336787913 355160828 /nfs/dbraw/zinc/16/08/28/355160828.db2.gz NEJNLXGKIFZTPU-LBPRGKRZSA-N 2 2 277.434 0.151 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@H+](CCS(=O)(=O)N(C)C)C1 ZINC000336787913 355160832 /nfs/dbraw/zinc/16/08/32/355160832.db2.gz NEJNLXGKIFZTPU-LBPRGKRZSA-N 2 2 277.434 0.151 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CCS(=O)(=O)N(C)C)C1 ZINC000336787913 355160835 /nfs/dbraw/zinc/16/08/35/355160835.db2.gz NEJNLXGKIFZTPU-LBPRGKRZSA-N 2 2 277.434 0.151 20 0 CCADLP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000424130378 235156901 /nfs/dbraw/zinc/15/69/01/235156901.db2.gz FDCXGXMSLDKRJK-LSDHHAIUSA-N 2 2 289.379 0.557 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000336654857 355130563 /nfs/dbraw/zinc/13/05/63/355130563.db2.gz GWPYESRCLPQKMU-QWRGUYRKSA-N 2 2 250.408 0.597 20 0 CCADLP C([C@H]1CCOC1)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000336709691 355144524 /nfs/dbraw/zinc/14/45/24/355144524.db2.gz MIGLMKFOXXVKTM-UONOGXRCSA-N 2 2 254.374 0.677 20 0 CCADLP C([C@H]1CCOC1)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000336709691 355144527 /nfs/dbraw/zinc/14/45/27/355144527.db2.gz MIGLMKFOXXVKTM-UONOGXRCSA-N 2 2 254.374 0.677 20 0 CCADLP CCCCNC(=O)[C@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000336840378 355210927 /nfs/dbraw/zinc/21/09/27/355210927.db2.gz PVAMRTDAIDNCMO-KBPBESRZSA-N 2 2 282.432 0.271 20 0 CCADLP Cn1cc[nH+]c1CN1CC[NH+](C2CCOCC2)CC1 ZINC000336797697 355170575 /nfs/dbraw/zinc/17/05/75/355170575.db2.gz BHQQARSTEHMFMZ-UHFFFAOYSA-N 2 2 264.373 0.717 20 0 CCADLP O=C(C[C@@H]1CCC[NH2+]1)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424178644 235171275 /nfs/dbraw/zinc/17/12/75/235171275.db2.gz RQWFFXWXDKYAKI-UWVGGRQHSA-N 2 2 261.316 0.490 20 0 CCADLP [NH3+][C@@H](C(=O)NC[C@@H]1CC[NH2+]CC1(F)F)C1CCC1 ZINC000424188255 235173056 /nfs/dbraw/zinc/17/30/56/235173056.db2.gz JGONGIAXCYGTPF-VHSXEESVSA-N 2 2 261.316 0.475 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424194187 235174367 /nfs/dbraw/zinc/17/43/67/235174367.db2.gz RXIDZUIXYHGHPM-KXUCPTDWSA-N 2 2 261.316 0.203 20 0 CCADLP C[C@@H](O)CCC[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000336847512 355215456 /nfs/dbraw/zinc/21/54/56/355215456.db2.gz FJIKPWVLYMFVQD-CYBMUJFWSA-N 2 2 293.415 0.826 20 0 CCADLP Cn1cc[nH+]c1CN1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000336824632 355199118 /nfs/dbraw/zinc/19/91/18/355199118.db2.gz VLPLKRHCNMWZGX-CQSZACIVSA-N 2 2 278.400 0.964 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336831111 355205019 /nfs/dbraw/zinc/20/50/19/355205019.db2.gz CSQXBSKXJXFDMH-OAHLLOKOSA-N 3 2 280.416 0.969 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336831111 355205021 /nfs/dbraw/zinc/20/50/21/355205021.db2.gz CSQXBSKXJXFDMH-OAHLLOKOSA-N 3 2 280.416 0.969 20 0 CCADLP Cc1[nH+]ccn1CCC[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336831111 355205025 /nfs/dbraw/zinc/20/50/25/355205025.db2.gz CSQXBSKXJXFDMH-OAHLLOKOSA-N 3 2 280.416 0.969 20 0 CCADLP Cc1[nH+]ccn1CCC[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336831111 355205030 /nfs/dbraw/zinc/20/50/30/355205030.db2.gz CSQXBSKXJXFDMH-OAHLLOKOSA-N 3 2 280.416 0.969 20 0 CCADLP C[C@@H]1CN(CCC[NH+]2CCOCC2)C[C@@H](C)[NH+]1C ZINC000336895367 355222152 /nfs/dbraw/zinc/22/21/52/355222152.db2.gz YOUGKMQQYCFOIP-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCC12CCOCC2 ZINC000558623867 291063063 /nfs/dbraw/zinc/06/30/63/291063063.db2.gz XRXMNONDCIHHFP-KGLIPLIRSA-N 2 2 267.417 0.781 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCC12CCOCC2 ZINC000558623867 291063064 /nfs/dbraw/zinc/06/30/64/291063064.db2.gz XRXMNONDCIHHFP-KGLIPLIRSA-N 2 2 267.417 0.781 20 0 CCADLP COC[C@](C)(CCO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425337440 235286873 /nfs/dbraw/zinc/28/68/73/235286873.db2.gz ABIPECYFXMOPQD-ZDUSSCGKSA-N 2 2 270.377 0.363 20 0 CCADLP CO[C@H]1C[NH+](Cc2c[nH+]c(N(C)C)n2C)C[C@@H]1OC ZINC000425335534 235287336 /nfs/dbraw/zinc/28/73/36/235287336.db2.gz IFOXGYUMCGOGCH-RYUDHWBXSA-N 2 2 268.361 0.332 20 0 CCADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)C[C@H]1O ZINC000341039345 355591756 /nfs/dbraw/zinc/59/17/56/355591756.db2.gz NMWNTIIZSHFOIO-MGPQQGTHSA-N 2 2 283.416 0.242 20 0 CCADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)C[C@H]1O ZINC000341039345 355591758 /nfs/dbraw/zinc/59/17/58/355591758.db2.gz NMWNTIIZSHFOIO-MGPQQGTHSA-N 2 2 283.416 0.242 20 0 CCADLP CN1CCC[C@H]([N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000558728838 291071274 /nfs/dbraw/zinc/07/12/74/291071274.db2.gz BRQXKGMMIOYHEB-CABCVRRESA-N 2 2 295.427 0.651 20 0 CCADLP CN1CCC[C@H]([N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000558728838 291071276 /nfs/dbraw/zinc/07/12/76/291071276.db2.gz BRQXKGMMIOYHEB-CABCVRRESA-N 2 2 295.427 0.651 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CC[NH+]2CCC1CC2 ZINC000341548968 355691385 /nfs/dbraw/zinc/69/13/85/355691385.db2.gz MFTIIVXSWKTODN-ZDUSSCGKSA-N 2 2 296.415 0.197 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CC[NH+]2CCC1CC2 ZINC000341548968 355691387 /nfs/dbraw/zinc/69/13/87/355691387.db2.gz MFTIIVXSWKTODN-ZDUSSCGKSA-N 2 2 296.415 0.197 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CC1)[NH+]1CCOCC1 ZINC000426351215 235333155 /nfs/dbraw/zinc/33/31/55/235333155.db2.gz JYCCXEJGCBDXAW-GUTXKFCHSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CC1)[NH+]1CCOCC1 ZINC000426351215 235333159 /nfs/dbraw/zinc/33/31/59/235333159.db2.gz JYCCXEJGCBDXAW-GUTXKFCHSA-N 2 2 295.427 0.839 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000341468766 355677685 /nfs/dbraw/zinc/67/76/85/355677685.db2.gz VUJAKDUFLZJAKB-STQMWFEESA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000341468766 355677691 /nfs/dbraw/zinc/67/76/91/355677691.db2.gz VUJAKDUFLZJAKB-STQMWFEESA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](C)C1 ZINC000341468766 355677698 /nfs/dbraw/zinc/67/76/98/355677698.db2.gz VUJAKDUFLZJAKB-STQMWFEESA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000341468766 355677700 /nfs/dbraw/zinc/67/77/00/355677700.db2.gz VUJAKDUFLZJAKB-STQMWFEESA-N 2 2 297.399 0.176 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000342764223 355740895 /nfs/dbraw/zinc/74/08/95/355740895.db2.gz GPKAAKOLAIWJPV-UWVGGRQHSA-N 2 2 272.299 0.633 20 0 CCADLP Cn1cc[nH+]c1[C@@H](NC[C@H](O)C[NH+](C)C)C1CC1 ZINC000342790564 355747860 /nfs/dbraw/zinc/74/78/60/355747860.db2.gz CTIQOHNQYAXALD-RYUDHWBXSA-N 2 2 252.362 0.383 20 0 CCADLP Cc1c[nH+]c(CN2CC[NH+](CC(C)(C)O)CC2)n1C ZINC000342796855 355748742 /nfs/dbraw/zinc/74/87/42/355748742.db2.gz BWGAOSKSGFMOCC-UHFFFAOYSA-N 2 2 266.389 0.617 20 0 CCADLP COCC[NH+]1CCC([NH2+]Cc2cc(C(N)=O)co2)CC1 ZINC000427848797 235384227 /nfs/dbraw/zinc/38/42/27/235384227.db2.gz MLRZSAHNXIXBOJ-UHFFFAOYSA-N 2 2 281.356 0.579 20 0 CCADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)NCc1cccnc1 ZINC000428036560 235390864 /nfs/dbraw/zinc/39/08/64/235390864.db2.gz RLNFXWRNUPQLLQ-UONOGXRCSA-N 2 2 274.368 0.382 20 0 CCADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)NCc1cccnc1 ZINC000428036560 235390866 /nfs/dbraw/zinc/39/08/66/235390866.db2.gz RLNFXWRNUPQLLQ-UONOGXRCSA-N 2 2 274.368 0.382 20 0 CCADLP CC[NH+]1CCN(CC(=O)NCc2c[nH+]ccc2OC)CC1 ZINC000348312729 355910451 /nfs/dbraw/zinc/91/04/51/355910451.db2.gz RFFJKFDCOQZCSO-UHFFFAOYSA-N 2 2 292.383 0.344 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000348373008 355921360 /nfs/dbraw/zinc/92/13/60/355921360.db2.gz PJOJFJHFMSPRLE-HOCLYGCPSA-N 2 2 297.443 0.776 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000348373008 355921361 /nfs/dbraw/zinc/92/13/61/355921361.db2.gz PJOJFJHFMSPRLE-HOCLYGCPSA-N 2 2 297.443 0.776 20 0 CCADLP Cc1ncc(C[NH2+][C@@H](C)CC[NH+]2CCOCC2)cn1 ZINC000347779719 355883215 /nfs/dbraw/zinc/88/32/15/355883215.db2.gz PGJHZAQSPUGKRX-LBPRGKRZSA-N 2 2 264.373 0.985 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC[C@@H]2OC(F)F)CC1 ZINC000348523213 355942501 /nfs/dbraw/zinc/94/25/01/355942501.db2.gz CGBBAPSDNUJNHD-MNOVXSKESA-N 2 2 291.342 0.510 20 0 CCADLP COCC[C@](C)(O)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000352901792 356106692 /nfs/dbraw/zinc/10/66/92/356106692.db2.gz LVCBNDSBMDDAKO-BNOWGMLFSA-N 2 2 256.390 0.846 20 0 CCADLP COCC[C@](C)(O)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000352901792 356106696 /nfs/dbraw/zinc/10/66/96/356106696.db2.gz LVCBNDSBMDDAKO-BNOWGMLFSA-N 2 2 256.390 0.846 20 0 CCADLP CCN(C)C(=O)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352736589 356067574 /nfs/dbraw/zinc/06/75/74/356067574.db2.gz HBTFBTPDLYNBQQ-UHFFFAOYSA-N 2 2 270.402 0.773 20 0 CCADLP COCC[NH+](CCOC)C1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000353008547 356135446 /nfs/dbraw/zinc/13/54/46/356135446.db2.gz NTJBOADDSDMHQC-UHFFFAOYSA-N 2 2 296.415 0.969 20 0 CCADLP C[C@@H](C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)[NH+]1CCOCC1 ZINC000353047640 356146423 /nfs/dbraw/zinc/14/64/23/356146423.db2.gz NRSKROWCVGIMLG-ZFWWWQNUSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H](C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)[NH+]1CCOCC1 ZINC000353375579 356211499 /nfs/dbraw/zinc/21/14/99/356211499.db2.gz PTELFFKMATUPGU-ZFWWWQNUSA-N 2 2 295.427 0.555 20 0 CCADLP O=C(Cc1cn2ccccc2[nH+]1)NC[C@@H]1CC[NH2+]C1 ZINC000272999781 192014984 /nfs/dbraw/zinc/01/49/84/192014984.db2.gz HDOHZUZDFWOLIJ-LLVKDONJSA-N 2 2 258.325 0.603 20 0 CCADLP CSCC[C@@H]([NH3+])C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000353575838 356251916 /nfs/dbraw/zinc/25/19/16/356251916.db2.gz FWFVTVQIODLQIU-LLVKDONJSA-N 2 2 282.413 0.916 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000353573761 356252322 /nfs/dbraw/zinc/25/23/22/356252322.db2.gz AIKWGLMXIVRNFS-OCCSQVGLSA-N 2 2 293.415 0.438 20 0 CCADLP CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000353576619 356252515 /nfs/dbraw/zinc/25/25/15/356252515.db2.gz ILJKONJUAGADAT-CQSZACIVSA-N 2 2 293.415 0.582 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)C1CC1 ZINC000360819016 138011740 /nfs/dbraw/zinc/01/17/40/138011740.db2.gz PTDMDASBRFYZBO-NXEZZACHSA-N 2 2 261.316 0.440 20 0 CCADLP [NH3+][C@@H](CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)c1ccccc1 ZINC000360818753 138012017 /nfs/dbraw/zinc/01/20/17/138012017.db2.gz QHMHSOMNYLFLTR-QWRGUYRKSA-N 2 2 269.295 0.800 20 0 CCADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000361108283 138021805 /nfs/dbraw/zinc/02/18/05/138021805.db2.gz JZAUZIOZZBXRPU-UONOGXRCSA-N 3 2 282.432 0.080 20 0 CCADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000361108283 138021806 /nfs/dbraw/zinc/02/18/06/138021806.db2.gz JZAUZIOZZBXRPU-UONOGXRCSA-N 3 2 282.432 0.080 20 0 CCADLP CO[C@@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C(C)C ZINC000353929797 356316942 /nfs/dbraw/zinc/31/69/42/356316942.db2.gz FSRPMJAAGNIDGD-CQSZACIVSA-N 2 2 285.432 0.800 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCCCOC)C[C@H]1C ZINC000362184993 138049952 /nfs/dbraw/zinc/04/99/52/138049952.db2.gz UWVPNBBLAUEVRU-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCCCOC)C[C@H]1C ZINC000362184993 138049953 /nfs/dbraw/zinc/04/99/53/138049953.db2.gz UWVPNBBLAUEVRU-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCCCOC)C[C@H]1C ZINC000362184993 138049954 /nfs/dbraw/zinc/04/99/54/138049954.db2.gz UWVPNBBLAUEVRU-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCCCOC)C[C@H]1C ZINC000362184993 138049955 /nfs/dbraw/zinc/04/99/55/138049955.db2.gz UWVPNBBLAUEVRU-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CC[N@@H+]1C ZINC000354073376 356341396 /nfs/dbraw/zinc/34/13/96/356341396.db2.gz WMFOIJSMRKZFOL-MNOVXSKESA-N 2 2 250.346 0.941 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CC[N@H+]1C ZINC000354073376 356341399 /nfs/dbraw/zinc/34/13/99/356341399.db2.gz WMFOIJSMRKZFOL-MNOVXSKESA-N 2 2 250.346 0.941 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCCC(=O)OC)C[C@H]1C ZINC000354220381 356368826 /nfs/dbraw/zinc/36/88/26/356368826.db2.gz GYTKODAKENXEOD-OLZOCXBDSA-N 2 2 299.415 0.470 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCCC(=O)OC)C[C@H]1C ZINC000354220381 356368831 /nfs/dbraw/zinc/36/88/31/356368831.db2.gz GYTKODAKENXEOD-OLZOCXBDSA-N 2 2 299.415 0.470 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCCC(=O)OC)C[C@H]1C ZINC000354220381 356368834 /nfs/dbraw/zinc/36/88/34/356368834.db2.gz GYTKODAKENXEOD-OLZOCXBDSA-N 2 2 299.415 0.470 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCCC(=O)OC)C[C@H]1C ZINC000354220381 356368837 /nfs/dbraw/zinc/36/88/37/356368837.db2.gz GYTKODAKENXEOD-OLZOCXBDSA-N 2 2 299.415 0.470 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)[C@@H]1CCCc2[nH+]ccn21 ZINC000354201943 356364311 /nfs/dbraw/zinc/36/43/11/356364311.db2.gz CKJHJBBVOQZDMB-JTQLQIEISA-N 2 2 259.313 0.843 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCNC2=O)C[C@H]1C ZINC000354207345 356366476 /nfs/dbraw/zinc/36/64/76/356366476.db2.gz MNIJQBXHWRIUKC-NEPJUHHUSA-N 2 2 282.388 0.343 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCNC2=O)C[C@H]1C ZINC000354207345 356366479 /nfs/dbraw/zinc/36/64/79/356366479.db2.gz MNIJQBXHWRIUKC-NEPJUHHUSA-N 2 2 282.388 0.343 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCNC2=O)C[C@H]1C ZINC000354207345 356366483 /nfs/dbraw/zinc/36/64/83/356366483.db2.gz MNIJQBXHWRIUKC-NEPJUHHUSA-N 2 2 282.388 0.343 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCNC2=O)C[C@H]1C ZINC000354207345 356366486 /nfs/dbraw/zinc/36/64/86/356366486.db2.gz MNIJQBXHWRIUKC-NEPJUHHUSA-N 2 2 282.388 0.343 20 0 CCADLP CC[NH+]1CCN(CC(=O)N(C)CCCn2cc[nH+]c2)CC1 ZINC000354360486 356398119 /nfs/dbraw/zinc/39/81/19/356398119.db2.gz BVSPDTLPMGXVBN-UHFFFAOYSA-N 2 2 293.415 0.369 20 0 CCADLP Cc1nc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)oc1C ZINC000362832357 138075986 /nfs/dbraw/zinc/07/59/86/138075986.db2.gz XXYWBJAYRSAWCY-ZDUSSCGKSA-N 2 2 292.383 0.688 20 0 CCADLP Cc1nc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)oc1C ZINC000362832357 138075987 /nfs/dbraw/zinc/07/59/87/138075987.db2.gz XXYWBJAYRSAWCY-ZDUSSCGKSA-N 2 2 292.383 0.688 20 0 CCADLP Cc1csc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)n1 ZINC000362676233 138069140 /nfs/dbraw/zinc/06/91/40/138069140.db2.gz UTHFZQUSMPKUKH-LBPRGKRZSA-N 2 2 294.424 0.848 20 0 CCADLP Cc1csc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)n1 ZINC000362676233 138069141 /nfs/dbraw/zinc/06/91/41/138069141.db2.gz UTHFZQUSMPKUKH-LBPRGKRZSA-N 2 2 294.424 0.848 20 0 CCADLP Cc1ncsc1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362696706 138070360 /nfs/dbraw/zinc/07/03/60/138070360.db2.gz DTFJMWXKVSOYQO-GFCCVEGCSA-N 2 2 294.424 0.848 20 0 CCADLP Cc1ncsc1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362696706 138070361 /nfs/dbraw/zinc/07/03/61/138070361.db2.gz DTFJMWXKVSOYQO-GFCCVEGCSA-N 2 2 294.424 0.848 20 0 CCADLP O=C(NCCC[NH+]1CCOCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000363197166 138087562 /nfs/dbraw/zinc/08/75/62/138087562.db2.gz IMJMOIMTUVYTQS-CYBMUJFWSA-N 2 2 292.383 0.284 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1C[C@@H](F)C[NH2+]1 ZINC000354618163 356454423 /nfs/dbraw/zinc/45/44/23/356454423.db2.gz VJCWPSKWOMCULN-MNOVXSKESA-N 2 2 266.320 0.464 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CCSC2)CC1 ZINC000354720437 356482670 /nfs/dbraw/zinc/48/26/70/356482670.db2.gz XUIDCLGBUCTDNP-GFCCVEGCSA-N 2 2 285.457 0.882 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000333786788 295925480 /nfs/dbraw/zinc/92/54/80/295925480.db2.gz FNBMGEPAOADPNM-MELADBBJSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000355090901 356574940 /nfs/dbraw/zinc/57/49/40/356574940.db2.gz HIVVEEJTHKLHCW-MNOVXSKESA-N 2 2 265.361 0.447 20 0 CCADLP CCCn1nccc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000560959799 291114848 /nfs/dbraw/zinc/11/48/48/291114848.db2.gz AGNLYARYKSEYRC-NSHDSACASA-N 2 2 280.376 0.400 20 0 CCADLP CCCn1nccc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000560959799 291114850 /nfs/dbraw/zinc/11/48/50/291114850.db2.gz AGNLYARYKSEYRC-NSHDSACASA-N 2 2 280.376 0.400 20 0 CCADLP CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCC([N@H+](C)CCO)CC1 ZINC000355933380 356672339 /nfs/dbraw/zinc/67/23/39/356672339.db2.gz CHZPARFOYQCDAR-CYBMUJFWSA-N 2 2 285.432 0.630 20 0 CCADLP CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCC([N@@H+](C)CCO)CC1 ZINC000355933380 356672342 /nfs/dbraw/zinc/67/23/42/356672342.db2.gz CHZPARFOYQCDAR-CYBMUJFWSA-N 2 2 285.432 0.630 20 0 CCADLP O=C1NC2(CCCC2)C(=O)N1CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359307708 356799155 /nfs/dbraw/zinc/79/91/55/356799155.db2.gz OBIFNAMNMSDRRZ-VXGBXAGGSA-N 2 2 292.383 0.002 20 0 CCADLP C[C@H](C(=O)NCc1ccccc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359317749 356801919 /nfs/dbraw/zinc/80/19/19/356801919.db2.gz YCULIFXPBLSFSJ-YUELXQCFSA-N 2 2 273.380 0.843 20 0 CCADLP C[C@H](C(=O)NCc1ccccc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359317749 356801923 /nfs/dbraw/zinc/80/19/23/356801923.db2.gz YCULIFXPBLSFSJ-YUELXQCFSA-N 2 2 273.380 0.843 20 0 CCADLP CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000359380172 356811760 /nfs/dbraw/zinc/81/17/60/356811760.db2.gz ADQVOIVVPAYUMM-NSHDSACASA-N 2 2 280.372 0.950 20 0 CCADLP CC[N@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000359380172 356811763 /nfs/dbraw/zinc/81/17/63/356811763.db2.gz ADQVOIVVPAYUMM-NSHDSACASA-N 2 2 280.372 0.950 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C1CC[NH+](C)CC1 ZINC000359954420 356927569 /nfs/dbraw/zinc/92/75/69/356927569.db2.gz NATXFYUBOCLUTL-LBPRGKRZSA-N 2 2 269.389 0.165 20 0 CCADLP CCNC(=O)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655682878 412646177 /nfs/dbraw/zinc/64/61/77/412646177.db2.gz MQIYTJYLHWDGDQ-ZDUSSCGKSA-N 2 2 269.389 0.356 20 0 CCADLP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCCn3ccnc32)CC1 ZINC000655709266 412646749 /nfs/dbraw/zinc/64/67/49/412646749.db2.gz VEZFKSSJBVILQS-ZDUSSCGKSA-N 2 2 291.399 0.472 20 0 CCADLP Cc1ncncc1[C@@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000655702478 412647091 /nfs/dbraw/zinc/64/70/91/412647091.db2.gz YKEUKYFZENFANF-LLVKDONJSA-N 2 2 277.372 0.210 20 0 CCADLP COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000362714495 357056148 /nfs/dbraw/zinc/05/61/48/357056148.db2.gz WYDLKNKANWSTRX-SYAUCNOPSA-N 2 2 298.427 0.879 20 0 CCADLP COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000362714495 357056152 /nfs/dbraw/zinc/05/61/52/357056152.db2.gz WYDLKNKANWSTRX-SYAUCNOPSA-N 2 2 298.427 0.879 20 0 CCADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000360545713 357037533 /nfs/dbraw/zinc/03/75/33/357037533.db2.gz HVKSOIXZUSAPIQ-KBPBESRZSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000360545713 357037535 /nfs/dbraw/zinc/03/75/35/357037535.db2.gz HVKSOIXZUSAPIQ-KBPBESRZSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360549287 357039176 /nfs/dbraw/zinc/03/91/76/357039176.db2.gz FGUJYNHRTYIFFR-UMVBOHGHSA-N 2 2 281.400 0.356 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360549287 357039179 /nfs/dbraw/zinc/03/91/79/357039179.db2.gz FGUJYNHRTYIFFR-UMVBOHGHSA-N 2 2 281.400 0.356 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000360474150 357020761 /nfs/dbraw/zinc/02/07/61/357020761.db2.gz ZBIBIQPSFOKWLI-CYBMUJFWSA-N 2 2 292.383 0.236 20 0 CCADLP C[C@@H](CNC(=O)C[C@H]1CCC[NH2+]CC1)[NH+]1CCOCC1 ZINC000364262142 357102870 /nfs/dbraw/zinc/10/28/70/357102870.db2.gz WHZBFQLBMKHYQD-KBPBESRZSA-N 2 2 283.416 0.603 20 0 CCADLP C[N@H+](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000364209503 357095667 /nfs/dbraw/zinc/09/56/67/357095667.db2.gz BOWBUQUEKQSQQI-LLVKDONJSA-N 2 2 262.357 0.656 20 0 CCADLP C[N@@H+](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000364209503 357095671 /nfs/dbraw/zinc/09/56/71/357095671.db2.gz BOWBUQUEKQSQQI-LLVKDONJSA-N 2 2 262.357 0.656 20 0 CCADLP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000366472288 357214526 /nfs/dbraw/zinc/21/45/26/357214526.db2.gz LGCUTNIDNRMDBV-ZIAGYGMSSA-N 2 2 296.415 0.195 20 0 CCADLP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000366472288 357214530 /nfs/dbraw/zinc/21/45/30/357214530.db2.gz LGCUTNIDNRMDBV-ZIAGYGMSSA-N 2 2 296.415 0.195 20 0 CCADLP COC[C@@H](CO)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655764712 412656084 /nfs/dbraw/zinc/65/60/84/412656084.db2.gz PNWYWPBGNAVESN-KGLIPLIRSA-N 2 2 272.389 0.227 20 0 CCADLP CC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)NC ZINC000655774936 412657622 /nfs/dbraw/zinc/65/76/22/412657622.db2.gz MTWCIGIXMCRGTM-QWHCGFSZSA-N 2 2 269.389 0.354 20 0 CCADLP CC1(C)NC(=O)CC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655766659 412657571 /nfs/dbraw/zinc/65/75/71/412657571.db2.gz SXZPYLJZQOCVFT-ZIAGYGMSSA-N 2 2 295.427 0.887 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261909445 535360811 /nfs/dbraw/zinc/36/08/11/535360811.db2.gz WFCASLNZYLKACM-ZDUSSCGKSA-N 2 2 283.416 0.603 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261909445 535360814 /nfs/dbraw/zinc/36/08/14/535360814.db2.gz WFCASLNZYLKACM-ZDUSSCGKSA-N 2 2 283.416 0.603 20 0 CCADLP O[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655775291 412657748 /nfs/dbraw/zinc/65/77/48/412657748.db2.gz VMFNOFTZYFGSFK-MGPQQGTHSA-N 2 2 254.374 0.743 20 0 CCADLP CC[N@H+](CC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000378304852 357669219 /nfs/dbraw/zinc/66/92/19/357669219.db2.gz GDVYJSLVNUDWPQ-SNVBAGLBSA-N 2 2 262.357 0.868 20 0 CCADLP CC[N@@H+](CC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000378304852 357669223 /nfs/dbraw/zinc/66/92/23/357669223.db2.gz GDVYJSLVNUDWPQ-SNVBAGLBSA-N 2 2 262.357 0.868 20 0 CCADLP CC[N@H+](CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000378304852 357669227 /nfs/dbraw/zinc/66/92/27/357669227.db2.gz GDVYJSLVNUDWPQ-SNVBAGLBSA-N 2 2 262.357 0.868 20 0 CCADLP CC[N@@H+](CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000378304852 357669229 /nfs/dbraw/zinc/66/92/29/357669229.db2.gz GDVYJSLVNUDWPQ-SNVBAGLBSA-N 2 2 262.357 0.868 20 0 CCADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]CC1=CCCOC1 ZINC000449396448 236033477 /nfs/dbraw/zinc/03/34/77/236033477.db2.gz RXEDXNOBUZLZTR-CQSZACIVSA-N 2 2 254.374 0.770 20 0 CCADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]CC1=CCCOC1 ZINC000449396448 236033479 /nfs/dbraw/zinc/03/34/79/236033479.db2.gz RXEDXNOBUZLZTR-CQSZACIVSA-N 2 2 254.374 0.770 20 0 CCADLP COC(=O)C[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000380538896 357704556 /nfs/dbraw/zinc/70/45/56/357704556.db2.gz MTLUDQILFHBNTD-KGLIPLIRSA-N 2 2 284.400 0.859 20 0 CCADLP COC(=O)C[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000380538896 357704558 /nfs/dbraw/zinc/70/45/58/357704558.db2.gz MTLUDQILFHBNTD-KGLIPLIRSA-N 2 2 284.400 0.859 20 0 CCADLP COC(=O)C[C@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000380538896 357704559 /nfs/dbraw/zinc/70/45/59/357704559.db2.gz MTLUDQILFHBNTD-KGLIPLIRSA-N 2 2 284.400 0.859 20 0 CCADLP COC(=O)C[C@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000380538896 357704560 /nfs/dbraw/zinc/70/45/60/357704560.db2.gz MTLUDQILFHBNTD-KGLIPLIRSA-N 2 2 284.400 0.859 20 0 CCADLP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCS1(=O)=O ZINC000380933228 357706849 /nfs/dbraw/zinc/70/68/49/357706849.db2.gz IOJFLZSKOAANFM-FDYHWXHSSA-N 2 2 272.414 0.778 20 0 CCADLP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCS1(=O)=O ZINC000380933228 357706852 /nfs/dbraw/zinc/70/68/52/357706852.db2.gz IOJFLZSKOAANFM-FDYHWXHSSA-N 2 2 272.414 0.778 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)C[S@](C)=O ZINC000398843474 357779276 /nfs/dbraw/zinc/77/92/76/357779276.db2.gz KNOIBODECFXAGU-PRXAMGSTSA-N 2 2 264.435 0.386 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)C[S@](C)=O ZINC000398843474 357779282 /nfs/dbraw/zinc/77/92/82/357779282.db2.gz KNOIBODECFXAGU-PRXAMGSTSA-N 2 2 264.435 0.386 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000398843474 357779291 /nfs/dbraw/zinc/77/92/91/357779291.db2.gz KNOIBODECFXAGU-PRXAMGSTSA-N 2 2 264.435 0.386 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000398843474 357779295 /nfs/dbraw/zinc/77/92/95/357779295.db2.gz KNOIBODECFXAGU-PRXAMGSTSA-N 2 2 264.435 0.386 20 0 CCADLP CCCN(C(=O)NCC[N@@H+]1CCOC[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000561164336 291118953 /nfs/dbraw/zinc/11/89/53/291118953.db2.gz PQPZBHVHFPNMSK-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CCCN(C(=O)NCC[N@H+]1CCOC[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000561164336 291118955 /nfs/dbraw/zinc/11/89/55/291118955.db2.gz PQPZBHVHFPNMSK-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H]1COCC[NH+]1C/C=C\C[N@H+]1CCOC[C@@H]1C ZINC000451167855 236140781 /nfs/dbraw/zinc/14/07/81/236140781.db2.gz AKZUFKAVQSKPFH-NMEQGOOXSA-N 2 2 254.374 0.984 20 0 CCADLP C[C@H]1COCC[NH+]1C/C=C\C[N@@H+]1CCOC[C@@H]1C ZINC000451167855 236140783 /nfs/dbraw/zinc/14/07/83/236140783.db2.gz AKZUFKAVQSKPFH-NMEQGOOXSA-N 2 2 254.374 0.984 20 0 CCADLP Cc1cc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)on1 ZINC000408155790 357944249 /nfs/dbraw/zinc/94/42/49/357944249.db2.gz WLUNDDDULVOTKQ-UHFFFAOYSA-N 2 2 295.383 0.642 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000449138418 299268400 /nfs/dbraw/zinc/26/84/00/299268400.db2.gz HXNIXYOBQZGZTF-DYEKYZERSA-N 2 2 281.400 0.306 20 0 CCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C1CC[NH+](C)CC1 ZINC000342277490 291128027 /nfs/dbraw/zinc/12/80/27/291128027.db2.gz DNWCYTYFDXAWBF-ZFWWWQNUSA-N 2 2 295.427 0.650 20 0 CCADLP COCC[N@H+](C)CC[NH2+][C@H](C)C1(OC)CCOCC1 ZINC000453098447 236273236 /nfs/dbraw/zinc/27/32/36/236273236.db2.gz UTNXYXFVJNHVGY-CYBMUJFWSA-N 2 2 274.405 0.738 20 0 CCADLP COCC[N@@H+](C)CC[NH2+][C@H](C)C1(OC)CCOCC1 ZINC000453098447 236273239 /nfs/dbraw/zinc/27/32/39/236273239.db2.gz UTNXYXFVJNHVGY-CYBMUJFWSA-N 2 2 274.405 0.738 20 0 CCADLP C[C@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)[C@H]1CCCO1 ZINC000453299258 236274886 /nfs/dbraw/zinc/27/48/86/236274886.db2.gz XADNEGKRIWOZMR-MELADBBJSA-N 2 2 256.390 0.990 20 0 CCADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)[C@H]1CCCO1 ZINC000453299258 236274889 /nfs/dbraw/zinc/27/48/89/236274889.db2.gz XADNEGKRIWOZMR-MELADBBJSA-N 2 2 256.390 0.990 20 0 CCADLP NS(=O)(=O)[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000408445374 358098634 /nfs/dbraw/zinc/09/86/34/358098634.db2.gz YKHHKHVKIKAXSB-LBPRGKRZSA-N 2 2 275.418 0.225 20 0 CCADLP NS(=O)(=O)[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000408445374 358098639 /nfs/dbraw/zinc/09/86/39/358098639.db2.gz YKHHKHVKIKAXSB-LBPRGKRZSA-N 2 2 275.418 0.225 20 0 CCADLP C[C@@H]1CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)[C@H](C[NH3+])C1 ZINC000417551980 358133763 /nfs/dbraw/zinc/13/37/63/358133763.db2.gz PJKGHYBAVIDXQD-AGIUHOORSA-N 2 2 284.404 0.086 20 0 CCADLP C[C@@H]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)[C@H](C[NH3+])C1 ZINC000417551980 358133768 /nfs/dbraw/zinc/13/37/68/358133768.db2.gz PJKGHYBAVIDXQD-AGIUHOORSA-N 2 2 284.404 0.086 20 0 CCADLP C[C@@H](CNC(=O)[C@H](c1c[nH+]cn1C)N(C)C)C[NH+](C)C ZINC000341255173 295965970 /nfs/dbraw/zinc/96/59/70/295965970.db2.gz HFCNUPNGGQQVKF-AAEUAGOBSA-N 2 2 281.404 0.337 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000418588412 358161770 /nfs/dbraw/zinc/16/17/70/358161770.db2.gz GDOLIUHEKKWWEM-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000418593420 358161952 /nfs/dbraw/zinc/16/19/52/358161952.db2.gz RQXDGWFOYBIGFV-OLZOCXBDSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420362674 358180433 /nfs/dbraw/zinc/18/04/33/358180433.db2.gz ZNLRCRSJGLJPIQ-PYNQCMFNSA-N 2 2 271.405 0.321 20 0 CCADLP C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420362674 358180434 /nfs/dbraw/zinc/18/04/34/358180434.db2.gz ZNLRCRSJGLJPIQ-PYNQCMFNSA-N 2 2 271.405 0.321 20 0 CCADLP C[NH2+]CCC[N@H+](C)[C@@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000420386829 358181907 /nfs/dbraw/zinc/18/19/07/358181907.db2.gz JAJJTPRVTHITDE-QMMMGPOBSA-N 2 2 298.309 0.304 20 0 CCADLP C[NH2+]CCC[N@@H+](C)[C@@H](C)C(=O)NC(=O)NCC(F)(F)F ZINC000420386829 358181912 /nfs/dbraw/zinc/18/19/12/358181912.db2.gz JAJJTPRVTHITDE-QMMMGPOBSA-N 2 2 298.309 0.304 20 0 CCADLP COCC[N@@H+]1CC[C@H](N[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000422888305 358194062 /nfs/dbraw/zinc/19/40/62/358194062.db2.gz MNVSNTZWHKHYLN-ZNMIVQPWSA-N 2 2 283.416 0.064 20 0 CCADLP COCC[N@H+]1CC[C@H](N[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000422888305 358194066 /nfs/dbraw/zinc/19/40/66/358194066.db2.gz MNVSNTZWHKHYLN-ZNMIVQPWSA-N 2 2 283.416 0.064 20 0 CCADLP COCCN1CC[C@H]([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000422888305 358194071 /nfs/dbraw/zinc/19/40/71/358194071.db2.gz MNVSNTZWHKHYLN-ZNMIVQPWSA-N 2 2 283.416 0.064 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000294728345 199155000 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0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000329270983 202261723 /nfs/dbraw/zinc/26/17/23/202261723.db2.gz HVJFFRKGLLFZPR-CYBMUJFWSA-N 2 2 292.383 0.666 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156564810 283364166 /nfs/dbraw/zinc/36/41/66/283364166.db2.gz UVVIONPEIOMDJN-SRVKXCTJSA-N 2 2 293.371 0.610 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156564810 283364168 /nfs/dbraw/zinc/36/41/68/283364168.db2.gz UVVIONPEIOMDJN-SRVKXCTJSA-N 2 2 293.371 0.610 20 0 CCADLP CCn1ncc(C[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)n1 ZINC000530208507 358378590 /nfs/dbraw/zinc/37/85/90/358378590.db2.gz HFCKHOZUXZPUGI-QWRGUYRKSA-N 2 2 253.350 0.155 20 0 CCADLP Cc1noc(C23CC(C2)C[N@@H+]3CCOCC[NH3+])n1 ZINC000530230815 358384246 /nfs/dbraw/zinc/38/42/46/358384246.db2.gz JTTUVFWXLYMUQS-UHFFFAOYSA-N 2 2 252.318 0.274 20 0 CCADLP Cc1noc(C23CC(C2)C[N@H+]3CCOCC[NH3+])n1 ZINC000530230815 358384247 /nfs/dbraw/zinc/38/42/47/358384247.db2.gz JTTUVFWXLYMUQS-UHFFFAOYSA-N 2 2 252.318 0.274 20 0 CCADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](CC2(F)CC2)CC1 ZINC000530244427 358384624 /nfs/dbraw/zinc/38/46/24/358384624.db2.gz YEKABMYCJANWEG-UHFFFAOYSA-N 2 2 270.352 0.131 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000562444428 291152524 /nfs/dbraw/zinc/15/25/24/291152524.db2.gz QKSKCNWDZMSCPT-HNNXBMFYSA-N 2 2 297.443 0.776 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000562444428 291152525 /nfs/dbraw/zinc/15/25/25/291152525.db2.gz QKSKCNWDZMSCPT-HNNXBMFYSA-N 2 2 297.443 0.776 20 0 CCADLP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CC[NH2+]CC1 ZINC000567729319 358578069 /nfs/dbraw/zinc/57/80/69/358578069.db2.gz UKMXZBYMRCRRSV-UHFFFAOYSA-N 2 2 257.297 0.313 20 0 CCADLP C[NH+](C)C[C@@](C)(O)CNC(=O)NCCCCn1cc[nH+]c1 ZINC000533107169 358526528 /nfs/dbraw/zinc/52/65/28/358526528.db2.gz RUENLVIBNPYIBX-AWEZNQCLSA-N 2 2 297.403 0.275 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000567864944 358602686 /nfs/dbraw/zinc/60/26/86/358602686.db2.gz DYZGOIUTWMCNOO-SMDDNHRTSA-N 2 2 287.363 0.870 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)c2csc(C[NH3+])n2)CCO1 ZINC000567966563 358618853 /nfs/dbraw/zinc/61/88/53/358618853.db2.gz QXJPNFNYIGVXRZ-VIFPVBQESA-N 2 2 284.385 0.052 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)c2csc(C[NH3+])n2)CCO1 ZINC000567966563 358618855 /nfs/dbraw/zinc/61/88/55/358618855.db2.gz QXJPNFNYIGVXRZ-VIFPVBQESA-N 2 2 284.385 0.052 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]2COCC[C@@H]21 ZINC000568164917 358638749 /nfs/dbraw/zinc/63/87/49/358638749.db2.gz CYSOJUBUQBCSJI-ILXRZTDVSA-N 2 2 286.416 0.426 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]2COCC[C@@H]21 ZINC000568164917 358638751 /nfs/dbraw/zinc/63/87/51/358638751.db2.gz CYSOJUBUQBCSJI-ILXRZTDVSA-N 2 2 286.416 0.426 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000568164917 358638753 /nfs/dbraw/zinc/63/87/53/358638753.db2.gz CYSOJUBUQBCSJI-ILXRZTDVSA-N 2 2 286.416 0.426 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000568164917 358638755 /nfs/dbraw/zinc/63/87/55/358638755.db2.gz CYSOJUBUQBCSJI-ILXRZTDVSA-N 2 2 286.416 0.426 20 0 CCADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCCNc1cccc[nH+]1 ZINC000567795217 358588177 /nfs/dbraw/zinc/58/81/77/358588177.db2.gz DJUZNPCVYRGVES-NEPJUHHUSA-N 2 2 262.357 0.998 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000568227134 358652745 /nfs/dbraw/zinc/65/27/45/358652745.db2.gz SBSLCVUENICDCK-JHJVBQTASA-N 2 2 294.399 0.502 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000568227134 358652746 /nfs/dbraw/zinc/65/27/46/358652746.db2.gz SBSLCVUENICDCK-JHJVBQTASA-N 2 2 294.399 0.502 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000568227134 358652747 /nfs/dbraw/zinc/65/27/47/358652747.db2.gz SBSLCVUENICDCK-JHJVBQTASA-N 2 2 294.399 0.502 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000568227134 358652749 /nfs/dbraw/zinc/65/27/49/358652749.db2.gz SBSLCVUENICDCK-JHJVBQTASA-N 2 2 294.399 0.502 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@H+](CCOc3ccc(F)cc3)CCN2C1=O ZINC000568267991 358660290 /nfs/dbraw/zinc/66/02/90/358660290.db2.gz PNKACGFWYLKXOQ-JSGCOSHPSA-N 2 2 293.342 0.448 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CCOc3ccc(F)cc3)CCN2C1=O ZINC000568267991 358660292 /nfs/dbraw/zinc/66/02/92/358660292.db2.gz PNKACGFWYLKXOQ-JSGCOSHPSA-N 2 2 293.342 0.448 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000568338616 358665318 /nfs/dbraw/zinc/66/53/18/358665318.db2.gz RSXHQGOKTIBJDN-NSHDSACASA-N 2 2 252.362 0.808 20 0 CCADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC000568338616 358665319 /nfs/dbraw/zinc/66/53/19/358665319.db2.gz RSXHQGOKTIBJDN-NSHDSACASA-N 2 2 252.362 0.808 20 0 CCADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCOC[C@H](O)C1 ZINC000568355366 358666117 /nfs/dbraw/zinc/66/61/17/358666117.db2.gz SOUFBHDQOCRGFR-OAHLLOKOSA-N 2 2 288.351 0.769 20 0 CCADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCOC[C@H](O)C1 ZINC000568355366 358666119 /nfs/dbraw/zinc/66/61/19/358666119.db2.gz SOUFBHDQOCRGFR-OAHLLOKOSA-N 2 2 288.351 0.769 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)[C@@H](C[NH3+])C1 ZINC000568372738 358668086 /nfs/dbraw/zinc/66/80/86/358668086.db2.gz NAOAXXGREAQFIG-YFKTTZPYSA-N 2 2 252.362 0.069 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)[C@@H](C[NH3+])C1 ZINC000568372738 358668089 /nfs/dbraw/zinc/66/80/89/358668089.db2.gz NAOAXXGREAQFIG-YFKTTZPYSA-N 2 2 252.362 0.069 20 0 CCADLP C[C@H](Cc1cccs1)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000568737082 358699807 /nfs/dbraw/zinc/69/98/07/358699807.db2.gz BNROXJIRZWSSGF-NEPJUHHUSA-N 2 2 296.440 0.963 20 0 CCADLP C[C@H](Cc1cccs1)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000568737082 358699810 /nfs/dbraw/zinc/69/98/10/358699810.db2.gz BNROXJIRZWSSGF-NEPJUHHUSA-N 2 2 296.440 0.963 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000569849592 358800472 /nfs/dbraw/zinc/80/04/72/358800472.db2.gz AXJDXSQIMAUFQL-NEPJUHHUSA-N 2 2 257.378 0.211 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000569849592 358800476 /nfs/dbraw/zinc/80/04/76/358800476.db2.gz AXJDXSQIMAUFQL-NEPJUHHUSA-N 2 2 257.378 0.211 20 0 CCADLP CO[C@](C)(CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000570188445 358832045 /nfs/dbraw/zinc/83/20/45/358832045.db2.gz RMHHUDQSMDFXCI-GXTWGEPZSA-N 2 2 284.404 0.086 20 0 CCADLP CO[C@](C)(CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000570188445 358832048 /nfs/dbraw/zinc/83/20/48/358832048.db2.gz RMHHUDQSMDFXCI-GXTWGEPZSA-N 2 2 284.404 0.086 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CO)[C@H]1C ZINC000570223501 358835325 /nfs/dbraw/zinc/83/53/25/358835325.db2.gz YQYXNVCRCYRIBP-MCIONIFRSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CO)[C@H]1C ZINC000570223501 358835326 /nfs/dbraw/zinc/83/53/26/358835326.db2.gz YQYXNVCRCYRIBP-MCIONIFRSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](CO)[C@H]1C ZINC000570223501 358835328 /nfs/dbraw/zinc/83/53/28/358835328.db2.gz YQYXNVCRCYRIBP-MCIONIFRSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](CO)[C@H]1C ZINC000570223501 358835330 /nfs/dbraw/zinc/83/53/30/358835330.db2.gz YQYXNVCRCYRIBP-MCIONIFRSA-N 2 2 274.405 0.018 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C)CC1 ZINC000571093676 358911954 /nfs/dbraw/zinc/91/19/54/358911954.db2.gz SNMUYENHACMGEW-AWEZNQCLSA-N 3 2 298.475 0.938 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000570763488 358891514 /nfs/dbraw/zinc/89/15/14/358891514.db2.gz ORPONWRHTKTNMT-HUUCEWRRSA-N 2 2 297.443 0.537 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000570763488 358891518 /nfs/dbraw/zinc/89/15/18/358891518.db2.gz ORPONWRHTKTNMT-HUUCEWRRSA-N 2 2 297.443 0.537 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000570763488 358891524 /nfs/dbraw/zinc/89/15/24/358891524.db2.gz ORPONWRHTKTNMT-HUUCEWRRSA-N 2 2 297.443 0.537 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000570763488 358891527 /nfs/dbraw/zinc/89/15/27/358891527.db2.gz ORPONWRHTKTNMT-HUUCEWRRSA-N 2 2 297.443 0.537 20 0 CCADLP CC[N@H+](CCO)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000570984597 358901494 /nfs/dbraw/zinc/90/14/94/358901494.db2.gz WNKOPIFUPSLRJJ-NSHDSACASA-N 2 2 268.361 0.019 20 0 CCADLP CC[N@@H+](CCO)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000570984597 358901495 /nfs/dbraw/zinc/90/14/95/358901495.db2.gz WNKOPIFUPSLRJJ-NSHDSACASA-N 2 2 268.361 0.019 20 0 CCADLP CC[N@H+](CCO)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000570984597 358901497 /nfs/dbraw/zinc/90/14/97/358901497.db2.gz WNKOPIFUPSLRJJ-NSHDSACASA-N 2 2 268.361 0.019 20 0 CCADLP CC[N@@H+](CCO)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000570984597 358901498 /nfs/dbraw/zinc/90/14/98/358901498.db2.gz WNKOPIFUPSLRJJ-NSHDSACASA-N 2 2 268.361 0.019 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000573466317 358970862 /nfs/dbraw/zinc/97/08/62/358970862.db2.gz RENAMRJFOFUOQQ-CYBMUJFWSA-N 2 2 286.420 0.394 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000573466317 358970865 /nfs/dbraw/zinc/97/08/65/358970865.db2.gz RENAMRJFOFUOQQ-CYBMUJFWSA-N 2 2 286.420 0.394 20 0 CCADLP C[C@H]1[NH2+]CC[C@H]1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000573560264 358978058 /nfs/dbraw/zinc/97/80/58/358978058.db2.gz FTLVNJMJZPTIAO-DGCLKSJQSA-N 2 2 276.384 0.876 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000574053502 359025294 /nfs/dbraw/zinc/02/52/94/359025294.db2.gz MLIPETPKLJOSDH-UPJWGTAASA-N 3 2 268.405 0.186 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000574053502 359025297 /nfs/dbraw/zinc/02/52/97/359025297.db2.gz MLIPETPKLJOSDH-UPJWGTAASA-N 3 2 268.405 0.186 20 0 CCADLP CCN(C)C(=O)CC[N@@H+]1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000573723943 358995221 /nfs/dbraw/zinc/99/52/21/358995221.db2.gz HQCQIROZBAMLSB-VXGBXAGGSA-N 2 2 257.378 0.293 20 0 CCADLP CCN(C)C(=O)CC[N@H+]1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000573723943 358995224 /nfs/dbraw/zinc/99/52/24/358995224.db2.gz HQCQIROZBAMLSB-VXGBXAGGSA-N 2 2 257.378 0.293 20 0 CCADLP C[C@H](C(=O)NCCC[NH+]1CCN(C)CC1)[NH+]1CC(C)C1 ZINC000580841080 359099819 /nfs/dbraw/zinc/09/98/19/359099819.db2.gz CFZZYEZOPNYNAO-CQSZACIVSA-N 2 2 282.432 0.080 20 0 CCADLP C[NH+]1CCC(CCO)([NH2+]Cc2cnc3cnccn23)CC1 ZINC000584063176 359166121 /nfs/dbraw/zinc/16/61/21/359166121.db2.gz KBCFZQDPFZOBMD-UHFFFAOYSA-N 2 2 289.383 0.666 20 0 CCADLP CC[NH+]1CCN([C@H](C)CNc2[nH+]cnc3[nH]ccc32)CC1 ZINC000588896897 359347464 /nfs/dbraw/zinc/34/74/64/359347464.db2.gz YLNOSRRJTOCNQO-GFCCVEGCSA-N 2 2 288.399 0.818 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COC(C)C ZINC000562983684 291178134 /nfs/dbraw/zinc/17/81/34/291178134.db2.gz DMGGMLHWVLGOOT-KGLIPLIRSA-N 2 2 274.405 0.473 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COC(C)C ZINC000562983684 291178136 /nfs/dbraw/zinc/17/81/36/291178136.db2.gz DMGGMLHWVLGOOT-KGLIPLIRSA-N 2 2 274.405 0.473 20 0 CCADLP C[C@@H](C[S@](C)=O)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000590594755 359495168 /nfs/dbraw/zinc/49/51/68/359495168.db2.gz OWNZUDLMXBKWFB-VOJFVSQTSA-N 2 2 276.446 0.578 20 0 CCADLP C[NH+](C)C/C=C\C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000492185377 237096145 /nfs/dbraw/zinc/09/61/45/237096145.db2.gz TWHFDEYLAODRGE-RNZFLTOJSA-N 2 2 262.357 0.995 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000591092392 359557132 /nfs/dbraw/zinc/55/71/32/359557132.db2.gz KXYXWLOOIOKFJZ-GFCCVEGCSA-N 2 2 269.389 0.165 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000591092392 359557136 /nfs/dbraw/zinc/55/71/36/359557136.db2.gz KXYXWLOOIOKFJZ-GFCCVEGCSA-N 2 2 269.389 0.165 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC[NH+](C)C1 ZINC000591726692 359648809 /nfs/dbraw/zinc/64/88/09/359648809.db2.gz CTWBLJAQELIKNB-AWEZNQCLSA-N 3 2 296.459 0.423 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC[NH+](C)C1 ZINC000591726692 359648812 /nfs/dbraw/zinc/64/88/12/359648812.db2.gz CTWBLJAQELIKNB-AWEZNQCLSA-N 3 2 296.459 0.423 20 0 CCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000591726692 359648814 /nfs/dbraw/zinc/64/88/14/359648814.db2.gz CTWBLJAQELIKNB-AWEZNQCLSA-N 3 2 296.459 0.423 20 0 CCADLP CN(CC[NH+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000591726692 359648816 /nfs/dbraw/zinc/64/88/16/359648816.db2.gz CTWBLJAQELIKNB-AWEZNQCLSA-N 3 2 296.459 0.423 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000492807792 237301472 /nfs/dbraw/zinc/30/14/72/237301472.db2.gz BTPXAXQNMQISGV-UIIMQBOASA-N 2 2 290.367 0.604 20 0 CCADLP CCOC(=O)[C@@H](C)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592181030 359778685 /nfs/dbraw/zinc/77/86/85/359778685.db2.gz AGKPHFDNNKZCEY-GFCCVEGCSA-N 2 2 270.373 0.735 20 0 CCADLP CCOC(=O)[C@@H](C)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592181030 359778689 /nfs/dbraw/zinc/77/86/89/359778689.db2.gz AGKPHFDNNKZCEY-GFCCVEGCSA-N 2 2 270.373 0.735 20 0 CCADLP CC[NH+](CC)CCC[N@@H+]1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000592202369 359792094 /nfs/dbraw/zinc/79/20/94/359792094.db2.gz FIVSJOUURQDFTG-QWHCGFSZSA-N 2 2 272.389 0.574 20 0 CCADLP CC[NH+](CC)CCC[N@H+]1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000592202369 359792097 /nfs/dbraw/zinc/79/20/97/359792097.db2.gz FIVSJOUURQDFTG-QWHCGFSZSA-N 2 2 272.389 0.574 20 0 CCADLP CCOC(=O)C[N@@H+]1CCCN(C(=O)C[C@@H]2CC[NH2+]C2)CC1 ZINC000592260745 359806432 /nfs/dbraw/zinc/80/64/32/359806432.db2.gz KQIRIRDXFWSOFV-ZDUSSCGKSA-N 2 2 297.399 0.083 20 0 CCADLP CCOC(=O)C[N@H+]1CCCN(C(=O)C[C@@H]2CC[NH2+]C2)CC1 ZINC000592260745 359806437 /nfs/dbraw/zinc/80/64/37/359806437.db2.gz KQIRIRDXFWSOFV-ZDUSSCGKSA-N 2 2 297.399 0.083 20 0 CCADLP CCOC(=O)C[N@@H+]1CCCN(C(=O)CC2([NH3+])CCC2)CC1 ZINC000592260914 359806733 /nfs/dbraw/zinc/80/67/33/359806733.db2.gz UWIAYXRHQRENRL-UHFFFAOYSA-N 2 2 297.399 0.355 20 0 CCADLP CCOC(=O)C[N@H+]1CCCN(C(=O)CC2([NH3+])CCC2)CC1 ZINC000592260914 359806737 /nfs/dbraw/zinc/80/67/37/359806737.db2.gz UWIAYXRHQRENRL-UHFFFAOYSA-N 2 2 297.399 0.355 20 0 CCADLP COC(=O)c1ccc(NC(=O)C[N@H+](C)CCC[NH3+])cc1 ZINC000592473580 359849293 /nfs/dbraw/zinc/84/92/93/359849293.db2.gz BXJNQTDNQYTKOK-UHFFFAOYSA-N 2 2 279.340 0.692 20 0 CCADLP COC(=O)c1ccc(NC(=O)C[N@@H+](C)CCC[NH3+])cc1 ZINC000592473580 359849299 /nfs/dbraw/zinc/84/92/99/359849299.db2.gz BXJNQTDNQYTKOK-UHFFFAOYSA-N 2 2 279.340 0.692 20 0 CCADLP COC(=O)CC1(C[N@@H+]2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000592475636 359851441 /nfs/dbraw/zinc/85/14/41/359851441.db2.gz RGMIPXCJUOHRGY-GHMZBOCLSA-N 2 2 256.346 0.378 20 0 CCADLP COC(=O)CC1(C[N@H+]2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000592475636 359851444 /nfs/dbraw/zinc/85/14/44/359851444.db2.gz RGMIPXCJUOHRGY-GHMZBOCLSA-N 2 2 256.346 0.378 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000563198386 291204269 /nfs/dbraw/zinc/20/42/69/291204269.db2.gz VJHPKCDSUNJHKB-UPJWGTAASA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCC[N@H+]2CCO[C@H](C)C2)C1 ZINC000563198386 291204270 /nfs/dbraw/zinc/20/42/70/291204270.db2.gz VJHPKCDSUNJHKB-UPJWGTAASA-N 2 2 269.389 0.211 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000563202736 291205023 /nfs/dbraw/zinc/20/50/23/291205023.db2.gz BZSNOXBGBMCTHC-GFCCVEGCSA-N 2 2 264.373 0.902 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000563202736 291205024 /nfs/dbraw/zinc/20/50/24/291205024.db2.gz BZSNOXBGBMCTHC-GFCCVEGCSA-N 2 2 264.373 0.902 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)CCCn1cc[nH+]c1 ZINC000592789092 359936209 /nfs/dbraw/zinc/93/62/09/359936209.db2.gz PHCWMGOBDXWSMR-CQSZACIVSA-N 2 2 293.415 0.415 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)CCCn1cc[nH+]c1 ZINC000592789092 359936211 /nfs/dbraw/zinc/93/62/11/359936211.db2.gz PHCWMGOBDXWSMR-CQSZACIVSA-N 2 2 293.415 0.415 20 0 CCADLP C[NH2+]C[C@](C)(O)CN(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000563268898 291211263 /nfs/dbraw/zinc/21/12/63/291211263.db2.gz NZPYFBFAKXHNOD-NSHDSACASA-N 2 2 294.321 0.848 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655922557 412697400 /nfs/dbraw/zinc/69/74/00/412697400.db2.gz WEXXTOCVQZVUFB-VIFPVBQESA-N 2 2 293.293 0.804 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)C[C@H](C)O1 ZINC000593316110 360065463 /nfs/dbraw/zinc/06/54/63/360065463.db2.gz MAVRZFJCVWUXCM-GMXVVIOVSA-N 2 2 256.346 0.248 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)C[C@H](C)O1 ZINC000593316110 360065466 /nfs/dbraw/zinc/06/54/66/360065466.db2.gz MAVRZFJCVWUXCM-GMXVVIOVSA-N 2 2 256.346 0.248 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]([C@H](C)O)C1 ZINC000563350889 291216043 /nfs/dbraw/zinc/21/60/43/291216043.db2.gz STDBMDVPGYXSHZ-MJBXVCDLSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]([C@H](C)O)C1 ZINC000563350889 291216044 /nfs/dbraw/zinc/21/60/44/291216044.db2.gz STDBMDVPGYXSHZ-MJBXVCDLSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000563350889 291216045 /nfs/dbraw/zinc/21/60/45/291216045.db2.gz STDBMDVPGYXSHZ-MJBXVCDLSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000563350889 291216048 /nfs/dbraw/zinc/21/60/48/291216048.db2.gz STDBMDVPGYXSHZ-MJBXVCDLSA-N 2 2 274.405 0.018 20 0 CCADLP COC(=O)c1cccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1C ZINC000593901816 360199524 /nfs/dbraw/zinc/19/95/24/360199524.db2.gz JEDUCQBYWOAFKZ-LBPRGKRZSA-N 2 2 293.367 0.999 20 0 CCADLP CCCCC[N@H+](CCc1c[nH+]cn1C)CC(N)=O ZINC000298327147 200396158 /nfs/dbraw/zinc/39/61/58/200396158.db2.gz IPNUHDJYKYHYGU-UHFFFAOYSA-N 2 2 252.362 0.940 20 0 CCADLP CCCCC[N@@H+](CCc1c[nH+]cn1C)CC(N)=O ZINC000298327147 200396160 /nfs/dbraw/zinc/39/61/60/200396160.db2.gz IPNUHDJYKYHYGU-UHFFFAOYSA-N 2 2 252.362 0.940 20 0 CCADLP Cn1nccc1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177127780 189030988 /nfs/dbraw/zinc/03/09/88/189030988.db2.gz QDOFZYLPUHNEPY-UHFFFAOYSA-N 2 2 279.388 0.176 20 0 CCADLP Cc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)nc1 ZINC000594736721 360370525 /nfs/dbraw/zinc/37/05/25/360370525.db2.gz PUAJCPUERFUYOJ-CHWSQXEVSA-N 2 2 260.341 0.134 20 0 CCADLP Cc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)nc1 ZINC000594736721 360370532 /nfs/dbraw/zinc/37/05/32/360370532.db2.gz PUAJCPUERFUYOJ-CHWSQXEVSA-N 2 2 260.341 0.134 20 0 CCADLP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CC[NH+]1CCC(OC)CC1 ZINC000594942052 360421353 /nfs/dbraw/zinc/42/13/53/360421353.db2.gz VQQBWKSCWIFOGI-FPMFFAJLSA-N 2 2 284.400 0.884 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000594943516 360422798 /nfs/dbraw/zinc/42/27/98/360422798.db2.gz KGQDLDCTELODAM-AAVRWANBSA-N 2 2 284.400 0.620 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000594943516 360422801 /nfs/dbraw/zinc/42/28/01/360422801.db2.gz KGQDLDCTELODAM-AAVRWANBSA-N 2 2 284.400 0.620 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000594943518 360422932 /nfs/dbraw/zinc/42/29/32/360422932.db2.gz KGQDLDCTELODAM-REWJHTLYSA-N 2 2 284.400 0.620 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000594943518 360422936 /nfs/dbraw/zinc/42/29/36/360422936.db2.gz KGQDLDCTELODAM-REWJHTLYSA-N 2 2 284.400 0.620 20 0 CCADLP CC[N@H+](CCO)CC[NH2+][C@H](C)[C@@H]1C[C@@H]1C(=O)OC ZINC000594946605 360423704 /nfs/dbraw/zinc/42/37/04/360423704.db2.gz QLLXMWPIPHIBTK-WOPDTQHZSA-N 2 2 258.362 0.088 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+][C@H](C)[C@@H]1C[C@@H]1C(=O)OC ZINC000594946605 360423709 /nfs/dbraw/zinc/42/37/09/360423709.db2.gz QLLXMWPIPHIBTK-WOPDTQHZSA-N 2 2 258.362 0.088 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C2(CO)CC[NH2+]CC2)nc1 ZINC000595897118 360695350 /nfs/dbraw/zinc/69/53/50/360695350.db2.gz OVYUYKLBUINPOO-UHFFFAOYSA-N 2 2 279.340 0.072 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C2(CO)CC[NH2+]CC2)s1 ZINC000595897271 360696018 /nfs/dbraw/zinc/69/60/18/360696018.db2.gz SJCIKTSESROTGL-UHFFFAOYSA-N 2 2 284.381 0.739 20 0 CCADLP O=C(NC[C@H]1CCC[NH2+]1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000178777365 189145564 /nfs/dbraw/zinc/14/55/64/189145564.db2.gz PIQVKVAMPJHCRV-GFCCVEGCSA-N 2 2 271.324 0.749 20 0 CCADLP COCCC(C)(C)CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000563584975 291239126 /nfs/dbraw/zinc/23/91/26/291239126.db2.gz ZOIGAMHIBGSWLR-GFCCVEGCSA-N 2 2 286.420 0.333 20 0 CCADLP COCCC(C)(C)CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000563584975 291239129 /nfs/dbraw/zinc/23/91/29/291239129.db2.gz ZOIGAMHIBGSWLR-GFCCVEGCSA-N 2 2 286.420 0.333 20 0 CCADLP C[C@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)CC[NH2+]1 ZINC000179178886 189174854 /nfs/dbraw/zinc/17/48/54/189174854.db2.gz PGMGLRJXBQYIFJ-NSHDSACASA-N 2 2 258.325 0.697 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000192104940 296026001 /nfs/dbraw/zinc/02/60/01/296026001.db2.gz ZEEKJLMGXFHKFR-WDEREUQCSA-N 2 2 257.378 0.197 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000192104940 296026004 /nfs/dbraw/zinc/02/60/04/296026004.db2.gz ZEEKJLMGXFHKFR-WDEREUQCSA-N 2 2 257.378 0.197 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCOC2CCCCC2)[C@H](C[NH3+])C1 ZINC000563693076 291246675 /nfs/dbraw/zinc/24/66/75/291246675.db2.gz ZRLHEDIPJPMZNI-CYBMUJFWSA-N 2 2 298.431 0.620 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCOC2CCCCC2)[C@H](C[NH3+])C1 ZINC000563693076 291246676 /nfs/dbraw/zinc/24/66/76/291246676.db2.gz ZRLHEDIPJPMZNI-CYBMUJFWSA-N 2 2 298.431 0.620 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493772642 238375279 /nfs/dbraw/zinc/37/52/79/238375279.db2.gz SHAAJSKKDUFQCV-SNAWJCMRSA-N 2 2 266.345 0.507 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493772642 238375290 /nfs/dbraw/zinc/37/52/90/238375290.db2.gz SHAAJSKKDUFQCV-SNAWJCMRSA-N 2 2 266.345 0.507 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C[NH+](C)C ZINC000563812576 291252438 /nfs/dbraw/zinc/25/24/38/291252438.db2.gz AGVFIZRDESZRFW-NEPJUHHUSA-N 2 2 264.373 0.759 20 0 CCADLP Cc1[nH+]cc(CNCC2([NH+](C)C)CCOCC2)n1C ZINC000563821131 291253061 /nfs/dbraw/zinc/25/30/61/291253061.db2.gz FRRSCVQZKGKOSM-UHFFFAOYSA-N 2 2 266.389 0.929 20 0 CCADLP CNS(=O)(=O)CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000621267053 366693310 /nfs/dbraw/zinc/69/33/10/366693310.db2.gz KQDFOOZNSMQGPV-JTQLQIEISA-N 2 2 272.374 0.138 20 0 CCADLP CNS(=O)(=O)CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000621267053 366693315 /nfs/dbraw/zinc/69/33/15/366693315.db2.gz KQDFOOZNSMQGPV-JTQLQIEISA-N 2 2 272.374 0.138 20 0 CCADLP Nc1c(N[C@H]2CCC[C@@H]([NH3+])C2)[nH+]cnc1-n1cccn1 ZINC000420235720 283653284 /nfs/dbraw/zinc/65/32/84/283653284.db2.gz IWDBJZGPZNQPJL-ZJUUUORDSA-N 2 2 273.344 0.926 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(CCn2cc[nH+]c2)[C@H](C)C1 ZINC000182095555 189313885 /nfs/dbraw/zinc/31/38/85/189313885.db2.gz YPGGCHGFKNKAKR-CYBMUJFWSA-N 2 2 280.372 0.452 20 0 CCADLP COC(=O)CC[N@H+]1CCN(CCn2cc[nH+]c2)[C@H](C)C1 ZINC000182095555 189313886 /nfs/dbraw/zinc/31/38/86/189313886.db2.gz YPGGCHGFKNKAKR-CYBMUJFWSA-N 2 2 280.372 0.452 20 0 CCADLP CCCn1nccc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000631824224 370689552 /nfs/dbraw/zinc/68/95/52/370689552.db2.gz YTBJYVUDBRLTSP-YNEHKIRRSA-N 2 2 291.399 0.901 20 0 CCADLP CCCn1nccc1NC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000631824224 370689559 /nfs/dbraw/zinc/68/95/59/370689559.db2.gz YTBJYVUDBRLTSP-YNEHKIRRSA-N 2 2 291.399 0.901 20 0 CCADLP CCn1nncc1C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000564095972 291266275 /nfs/dbraw/zinc/26/62/75/291266275.db2.gz CCALGUJNPGCDOS-UHFFFAOYSA-N 2 2 261.333 0.343 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC(C)(C)CC[C@H]2CO)CC1 ZINC000621377742 366755319 /nfs/dbraw/zinc/75/53/19/366755319.db2.gz FLCVSKZWGOTHGF-ZDUSSCGKSA-N 2 2 283.416 0.243 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC(C)(C)CC[C@H]2CO)CC1 ZINC000621377742 366755324 /nfs/dbraw/zinc/75/53/24/366755324.db2.gz FLCVSKZWGOTHGF-ZDUSSCGKSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCC2CC(O)C2)C[C@@H](C)O1 ZINC000564210697 291270518 /nfs/dbraw/zinc/27/05/18/291270518.db2.gz HZPGJECSVOQYLG-WMUDQEJXSA-N 2 2 286.416 0.207 20 0 CCADLP COCC(=O)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000183162198 189348209 /nfs/dbraw/zinc/34/82/09/189348209.db2.gz UBLOXURQYBFFAX-UHFFFAOYSA-N 2 2 266.345 0.064 20 0 CCADLP CC[N@H+](CCO)CCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000183981645 189373355 /nfs/dbraw/zinc/37/33/55/189373355.db2.gz WUFRDAGPELABJF-UHFFFAOYSA-N 2 2 290.367 0.307 20 0 CCADLP CC[N@@H+](CCO)CCNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000183981645 189373356 /nfs/dbraw/zinc/37/33/56/189373356.db2.gz WUFRDAGPELABJF-UHFFFAOYSA-N 2 2 290.367 0.307 20 0 CCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC000631829195 370695734 /nfs/dbraw/zinc/69/57/34/370695734.db2.gz JRNKQFRLBWZUJN-UPJWGTAASA-N 2 2 251.374 0.999 20 0 CCADLP Cc1cc(C)c(CN(CC[NH3+])C[C@H](O)CO)c(C)[nH+]1 ZINC000631828920 370696552 /nfs/dbraw/zinc/69/65/52/370696552.db2.gz BUQGAANMDOPFBD-ZDUSSCGKSA-N 2 2 267.373 0.121 20 0 CCADLP C[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1c[nH+]ccc1N ZINC000564662213 291292176 /nfs/dbraw/zinc/29/21/76/291292176.db2.gz VPWHIIJALFBOHB-VHSXEESVSA-N 2 2 284.385 0.179 20 0 CCADLP C[NH+](C)C1(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000612307273 363880816 /nfs/dbraw/zinc/88/08/16/363880816.db2.gz GWKWPGAXFJOBEA-LBPRGKRZSA-N 2 2 267.373 0.014 20 0 CCADLP C[C@@H]1C[N@@H+]([C@H](C(N)=O)c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000631840935 370705632 /nfs/dbraw/zinc/70/56/32/370705632.db2.gz WMYAGNNMMOOTEF-XWIASGKRSA-N 2 2 265.332 0.879 20 0 CCADLP C[C@@H]1C[N@H+]([C@H](C(N)=O)c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000631840935 370705639 /nfs/dbraw/zinc/70/56/39/370705639.db2.gz WMYAGNNMMOOTEF-XWIASGKRSA-N 2 2 265.332 0.879 20 0 CCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)CCC[NH3+] ZINC000564799878 291301593 /nfs/dbraw/zinc/30/15/93/291301593.db2.gz UKJSILRCGWKZMQ-UHFFFAOYSA-N 2 2 250.346 0.917 20 0 CCADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(c2cccc(F)c2)CC1 ZINC000631880192 370733455 /nfs/dbraw/zinc/73/34/55/370733455.db2.gz PGRVWSJNSVWEEG-HNNXBMFYSA-N 2 2 281.375 0.918 20 0 CCADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)N1CCC(c2ccccc2)=N1 ZINC000613209872 364162222 /nfs/dbraw/zinc/16/22/22/364162222.db2.gz JHHGZNREQMQURM-HUUCEWRRSA-N 2 2 298.390 0.774 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000631866158 370725986 /nfs/dbraw/zinc/72/59/86/370725986.db2.gz URHCAPCBHWPJIG-ONGXEEELSA-N 2 2 252.305 0.313 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000631866158 370725990 /nfs/dbraw/zinc/72/59/90/370725990.db2.gz URHCAPCBHWPJIG-ONGXEEELSA-N 2 2 252.305 0.313 20 0 CCADLP C(CN[C@]12CCC[C@@H]1C[NH2+]C2)C[NH+]1CCOCC1 ZINC000631867733 370727511 /nfs/dbraw/zinc/72/75/11/370727511.db2.gz HBVCACYAJSEYOX-KGLIPLIRSA-N 2 2 253.390 0.440 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCC(=O)Nc1ccccn1 ZINC000564825463 291303403 /nfs/dbraw/zinc/30/34/03/291303403.db2.gz IYWUBGPZHUINQU-OLZOCXBDSA-N 2 2 292.383 0.767 20 0 CCADLP c1ccc(-n2nnnc2CC[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000631869532 370729315 /nfs/dbraw/zinc/72/93/15/370729315.db2.gz YBVRJLMRGNBGTO-CJNGLKHVSA-N 2 2 298.394 0.937 20 0 CCADLP C(CN1CCOCC1)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631888927 370737980 /nfs/dbraw/zinc/73/79/80/370737980.db2.gz DIBHGEKYMKUWFG-GJZGRUSLSA-N 2 2 267.417 0.783 20 0 CCADLP C(CN1CCOCC1)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631888927 370737984 /nfs/dbraw/zinc/73/79/84/370737984.db2.gz DIBHGEKYMKUWFG-GJZGRUSLSA-N 2 2 267.417 0.783 20 0 CCADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)[C@@]12CCCO2 ZINC000564872482 291309585 /nfs/dbraw/zinc/30/95/85/291309585.db2.gz HONXEMJAQROMCZ-JONQDZQNSA-N 2 2 298.427 0.758 20 0 CCADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)[C@@]12CCCO2 ZINC000564872482 291309587 /nfs/dbraw/zinc/30/95/87/291309587.db2.gz HONXEMJAQROMCZ-JONQDZQNSA-N 2 2 298.427 0.758 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000614070942 364489199 /nfs/dbraw/zinc/48/91/99/364489199.db2.gz MLUCOMRPROOLQJ-WFASDCNBSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000614070942 364489201 /nfs/dbraw/zinc/48/92/01/364489201.db2.gz MLUCOMRPROOLQJ-WFASDCNBSA-N 2 2 294.399 0.503 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000614091592 364499186 /nfs/dbraw/zinc/49/91/86/364499186.db2.gz WJWLQHLQXNQLRK-NWDGAFQWSA-N 2 2 266.320 0.528 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH+]3CCC3)[C@H](F)C2)C1 ZINC000614094823 364501200 /nfs/dbraw/zinc/50/12/00/364501200.db2.gz QCEDSXIPEAVUNZ-RDBSUJKOSA-N 2 2 299.390 0.352 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH+]3CCC3)[C@H](F)C2)C1 ZINC000614094823 364501207 /nfs/dbraw/zinc/50/12/07/364501207.db2.gz QCEDSXIPEAVUNZ-RDBSUJKOSA-N 2 2 299.390 0.352 20 0 CCADLP COc1ccc(C[NH2+]C2(CO)CC[NH2+]CC2)cn1 ZINC000621776563 366864112 /nfs/dbraw/zinc/86/41/12/366864112.db2.gz OPTAQXHNPBEOSU-UHFFFAOYSA-N 2 2 251.330 0.294 20 0 CCADLP CC1(C)NC(=O)N(CCC[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C1=O ZINC000621779144 366864322 /nfs/dbraw/zinc/86/43/22/366864322.db2.gz AOFSDUXVYGDGDA-IAQYHMDHSA-N 2 2 294.399 0.520 20 0 CCADLP CC1(C)NC(=O)N(CCC[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C1=O ZINC000621779144 366864328 /nfs/dbraw/zinc/86/43/28/366864328.db2.gz AOFSDUXVYGDGDA-IAQYHMDHSA-N 2 2 294.399 0.520 20 0 CCADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621779963 366864918 /nfs/dbraw/zinc/86/49/18/366864918.db2.gz LKIITQGEYGHZKN-SCRDCRAPSA-N 2 2 253.390 0.960 20 0 CCADLP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621779963 366864925 /nfs/dbraw/zinc/86/49/25/366864925.db2.gz LKIITQGEYGHZKN-SCRDCRAPSA-N 2 2 253.390 0.960 20 0 CCADLP CN(C)S(=O)(=O)CCC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621782098 366866260 /nfs/dbraw/zinc/86/62/60/366866260.db2.gz MIXVJFZBJAUGIT-RYUDHWBXSA-N 2 2 275.418 0.081 20 0 CCADLP CN(C)S(=O)(=O)CCC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621782098 366866264 /nfs/dbraw/zinc/86/62/64/366866264.db2.gz MIXVJFZBJAUGIT-RYUDHWBXSA-N 2 2 275.418 0.081 20 0 CCADLP C[C@@H](NC(=O)N1CC[C@H]([NH3+])[C@@H]1C)[C@@H](C)[NH+]1CCOCC1 ZINC000417521301 296069806 /nfs/dbraw/zinc/06/98/06/296069806.db2.gz PDLSKOWNCDVRLV-NDBYEHHHSA-N 2 2 284.404 0.227 20 0 CCADLP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000615312528 364917325 /nfs/dbraw/zinc/91/73/25/364917325.db2.gz GHBGFRCFRVMJKX-MBNYWOFBSA-N 2 2 276.384 0.997 20 0 CCADLP C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000615314901 364917341 /nfs/dbraw/zinc/91/73/41/364917341.db2.gz QGMQECDDGXDLCZ-KBPBESRZSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@](C[NH3+])([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000430560759 291332776 /nfs/dbraw/zinc/33/27/76/291332776.db2.gz IDEAIWVGMXOWSD-MRXNPFEDSA-N 3 2 294.443 0.446 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@@H+]1CCO[C@H](C)C1)[C@@H](C)[NH3+] ZINC000565027840 291337499 /nfs/dbraw/zinc/33/74/99/291337499.db2.gz DSUYMLVGSBIWBO-UPJWGTAASA-N 2 2 271.405 0.443 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@H+]1CCO[C@H](C)C1)[C@@H](C)[NH3+] ZINC000565027840 291337500 /nfs/dbraw/zinc/33/75/00/291337500.db2.gz DSUYMLVGSBIWBO-UPJWGTAASA-N 2 2 271.405 0.443 20 0 CCADLP CC1(C)C[NH+](CC(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000615537069 364995851 /nfs/dbraw/zinc/99/58/51/364995851.db2.gz XSDCJUIZKVLXOE-CQSZACIVSA-N 2 2 295.427 0.651 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615536385 364996472 /nfs/dbraw/zinc/99/64/72/364996472.db2.gz IPAFXSMWSZTPNW-CABCVRRESA-N 2 2 295.427 0.794 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615536385 364996477 /nfs/dbraw/zinc/99/64/77/364996477.db2.gz IPAFXSMWSZTPNW-CABCVRRESA-N 2 2 295.427 0.794 20 0 CCADLP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)c(F)c1 ZINC000565061463 291341663 /nfs/dbraw/zinc/34/16/63/291341663.db2.gz ZNQQNFAGPISAKZ-LBPRGKRZSA-N 2 2 254.305 0.912 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000565155312 291348032 /nfs/dbraw/zinc/34/80/32/291348032.db2.gz DOBWVHWXXAKXED-KBPBESRZSA-N 3 2 296.459 0.787 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000565155312 291348034 /nfs/dbraw/zinc/34/80/34/291348034.db2.gz DOBWVHWXXAKXED-KBPBESRZSA-N 3 2 296.459 0.787 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000565167853 291350651 /nfs/dbraw/zinc/35/06/51/291350651.db2.gz ZWWGDOKLZCTXKC-GARJFASQSA-N 2 2 284.322 0.687 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000565167853 291350652 /nfs/dbraw/zinc/35/06/52/291350652.db2.gz ZWWGDOKLZCTXKC-GARJFASQSA-N 2 2 284.322 0.687 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000565167853 291350653 /nfs/dbraw/zinc/35/06/53/291350653.db2.gz ZWWGDOKLZCTXKC-GARJFASQSA-N 2 2 284.322 0.687 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000565167853 291350655 /nfs/dbraw/zinc/35/06/55/291350655.db2.gz ZWWGDOKLZCTXKC-GARJFASQSA-N 2 2 284.322 0.687 20 0 CCADLP CC(C)(C)n1nnc(CC[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)n1 ZINC000621784790 366867692 /nfs/dbraw/zinc/86/76/92/366867692.db2.gz VDVFXTNTIHJFKR-RISCZKNCSA-N 2 2 278.404 0.784 20 0 CCADLP CC(C)(C)n1nnc(CC[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)n1 ZINC000621784790 366867695 /nfs/dbraw/zinc/86/76/95/366867695.db2.gz VDVFXTNTIHJFKR-RISCZKNCSA-N 2 2 278.404 0.784 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH+](C)C ZINC000616488342 365339656 /nfs/dbraw/zinc/33/96/56/365339656.db2.gz KMKHSIVLPIMXDX-QWRGUYRKSA-N 2 2 250.346 0.512 20 0 CCADLP Cn1cc[nH+]c1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(C)(C)CO ZINC000616863324 365462355 /nfs/dbraw/zinc/46/23/55/365462355.db2.gz MBYAHUKBBWCLDT-VXGBXAGGSA-N 2 2 294.399 0.548 20 0 CCADLP Cn1cc[nH+]c1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)(C)CO ZINC000616863324 365462360 /nfs/dbraw/zinc/46/23/60/365462360.db2.gz MBYAHUKBBWCLDT-VXGBXAGGSA-N 2 2 294.399 0.548 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000617007364 365515486 /nfs/dbraw/zinc/51/54/86/365515486.db2.gz RKVSTMBQPIOICR-NSHDSACASA-N 2 2 250.346 0.872 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000617007364 365515491 /nfs/dbraw/zinc/51/54/91/365515491.db2.gz RKVSTMBQPIOICR-NSHDSACASA-N 2 2 250.346 0.872 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621852974 366895786 /nfs/dbraw/zinc/89/57/86/366895786.db2.gz OMJDCOQRZMRYTF-GFCCVEGCSA-N 2 2 294.399 0.914 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621852974 366895791 /nfs/dbraw/zinc/89/57/91/366895791.db2.gz OMJDCOQRZMRYTF-GFCCVEGCSA-N 2 2 294.399 0.914 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000621852974 366895803 /nfs/dbraw/zinc/89/58/03/366895803.db2.gz OMJDCOQRZMRYTF-GFCCVEGCSA-N 2 2 294.399 0.914 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)n1C ZINC000565239281 291365519 /nfs/dbraw/zinc/36/55/19/291365519.db2.gz WAVHZWIHOHXMSR-CYBMUJFWSA-N 3 2 279.432 0.844 20 0 CCADLP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335561278 212270267 /nfs/dbraw/zinc/27/02/67/212270267.db2.gz ZAFNPIFAYJWFCA-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335561278 212270269 /nfs/dbraw/zinc/27/02/69/212270269.db2.gz ZAFNPIFAYJWFCA-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@@H](CC(=O)NCCC[NH+]1CCC(O)CC1)n1cc[nH+]c1 ZINC000565307023 291371090 /nfs/dbraw/zinc/37/10/90/291371090.db2.gz GQYLTOPUUVCCEX-ZDUSSCGKSA-N 2 2 294.399 0.797 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)N(C)Cc2cnn(C)c2)C1 ZINC000565309202 291371461 /nfs/dbraw/zinc/37/14/61/291371461.db2.gz ZYVQTOBIPFTCHT-CYBMUJFWSA-N 2 2 293.415 0.310 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)N(C)Cc2cnn(C)c2)C1 ZINC000565309202 291371462 /nfs/dbraw/zinc/37/14/62/291371462.db2.gz ZYVQTOBIPFTCHT-CYBMUJFWSA-N 2 2 293.415 0.310 20 0 CCADLP CN(C)[C@@H](C(=O)NC[C@H](C1CC1)[NH+](C)C)c1c[nH+]cn1C ZINC000622318044 367115474 /nfs/dbraw/zinc/11/54/74/367115474.db2.gz XWUBBWMCXXFNIS-TZMCWYRMSA-N 2 2 293.415 0.479 20 0 CCADLP COCC[NH+]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000622369297 367134917 /nfs/dbraw/zinc/13/49/17/367134917.db2.gz FUEPWEYROWDRIN-UHFFFAOYSA-N 2 2 280.372 0.478 20 0 CCADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000623178944 367467921 /nfs/dbraw/zinc/46/79/21/367467921.db2.gz OISAGQHKEBMMDA-FRRDWIJNSA-N 2 2 274.368 0.656 20 0 CCADLP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000623175678 367463023 /nfs/dbraw/zinc/46/30/23/367463023.db2.gz GTJYBAWVNBUSQP-VXGBXAGGSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@@H](C)[NH2+]1 ZINC000623176147 367464390 /nfs/dbraw/zinc/46/43/90/367464390.db2.gz IHTIUFUIUOJAQR-IJLUTSLNSA-N 2 2 262.357 0.654 20 0 CCADLP [NH3+]CC1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC000623176409 367464417 /nfs/dbraw/zinc/46/44/17/367464417.db2.gz ZGCGTQRVPXQZRI-NSHDSACASA-N 2 2 262.357 0.833 20 0 CCADLP C[C@@](C[NH3+])(NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000623176321 367464450 /nfs/dbraw/zinc/46/44/50/367464450.db2.gz VBJPVXRWZLDFAX-HZMBPMFUSA-N 2 2 262.357 0.689 20 0 CCADLP CC(C)[C@@H](C(=O)N[C@H]1CCn2c[nH+]cc2C1)[NH+](C)C ZINC000623305230 367526899 /nfs/dbraw/zinc/52/68/99/367526899.db2.gz OCZGCMLIZSXYSV-AAEUAGOBSA-N 2 2 264.373 0.900 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NCCC[NH+](C)C)CC2 ZINC000623370441 367549658 /nfs/dbraw/zinc/54/96/58/367549658.db2.gz KFJXTPMEGFEGNB-GFCCVEGCSA-N 2 2 264.373 0.822 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623417718 367560288 /nfs/dbraw/zinc/56/02/88/367560288.db2.gz LVFQOMSTFSCWCI-WDEREUQCSA-N 2 2 262.419 0.882 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623417718 367560291 /nfs/dbraw/zinc/56/02/91/367560291.db2.gz LVFQOMSTFSCWCI-WDEREUQCSA-N 2 2 262.419 0.882 20 0 CCADLP C[N@H+](CC(=O)N[C@@H]1Cc2c[nH+]cn2C1)[C@H]1CCSC1 ZINC000623263210 367502620 /nfs/dbraw/zinc/50/26/20/367502620.db2.gz FWZBENMDRGKQQF-MNOVXSKESA-N 2 2 280.397 0.361 20 0 CCADLP C[N@@H+](CC(=O)N[C@@H]1Cc2c[nH+]cn2C1)[C@H]1CCSC1 ZINC000623263210 367502623 /nfs/dbraw/zinc/50/26/23/367502623.db2.gz FWZBENMDRGKQQF-MNOVXSKESA-N 2 2 280.397 0.361 20 0 CCADLP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000623573902 367595411 /nfs/dbraw/zinc/59/54/11/367595411.db2.gz ZTSJXRHZXZJTDD-QWHCGFSZSA-N 2 2 286.420 0.347 20 0 CCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000623573902 367595416 /nfs/dbraw/zinc/59/54/16/367595416.db2.gz ZTSJXRHZXZJTDD-QWHCGFSZSA-N 2 2 286.420 0.347 20 0 CCADLP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623573902 367595419 /nfs/dbraw/zinc/59/54/19/367595419.db2.gz ZTSJXRHZXZJTDD-QWHCGFSZSA-N 2 2 286.420 0.347 20 0 CCADLP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623573902 367595423 /nfs/dbraw/zinc/59/54/23/367595423.db2.gz ZTSJXRHZXZJTDD-QWHCGFSZSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@@H](CNC(=O)NC[C@@H]1COCC[N@@H+]1C)[NH+](C)C1CC1 ZINC000623725791 367636942 /nfs/dbraw/zinc/63/69/42/367636942.db2.gz KNJVJJBQFVURKE-WCQYABFASA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H](CNC(=O)NC[C@@H]1COCC[N@H+]1C)[NH+](C)C1CC1 ZINC000623725791 367636944 /nfs/dbraw/zinc/63/69/44/367636944.db2.gz KNJVJJBQFVURKE-WCQYABFASA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H](CNC(=O)NC[C@@H]1COCC[NH+]1C)[N@H+](C)C1CC1 ZINC000623725791 367636949 /nfs/dbraw/zinc/63/69/49/367636949.db2.gz KNJVJJBQFVURKE-WCQYABFASA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H](CNC(=O)NC[C@@H]1COCC[NH+]1C)[N@@H+](C)C1CC1 ZINC000623725791 367636953 /nfs/dbraw/zinc/63/69/53/367636953.db2.gz KNJVJJBQFVURKE-WCQYABFASA-N 2 2 284.404 0.099 20 0 CCADLP CCC[N@H+](CC)CCNC(=O)NC[C@H]1COCC[NH+]1C ZINC000623731901 367640227 /nfs/dbraw/zinc/64/02/27/367640227.db2.gz BMCLPYWSTYBJED-ZDUSSCGKSA-N 2 2 286.420 0.348 20 0 CCADLP CCC[N@@H+](CC)CCNC(=O)NC[C@H]1COCC[NH+]1C ZINC000623731901 367640232 /nfs/dbraw/zinc/64/02/32/367640232.db2.gz BMCLPYWSTYBJED-ZDUSSCGKSA-N 2 2 286.420 0.348 20 0 CCADLP CCC[NH+](CC)CCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623731901 367640237 /nfs/dbraw/zinc/64/02/37/367640237.db2.gz BMCLPYWSTYBJED-ZDUSSCGKSA-N 2 2 286.420 0.348 20 0 CCADLP CCC[NH+](CC)CCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623731901 367640244 /nfs/dbraw/zinc/64/02/44/367640244.db2.gz BMCLPYWSTYBJED-ZDUSSCGKSA-N 2 2 286.420 0.348 20 0 CCADLP CC(C)[C@@H]1C[C@@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)CCO1 ZINC000623758686 367647410 /nfs/dbraw/zinc/64/74/10/367647410.db2.gz KTEVUOQRGKFXLR-MJBXVCDLSA-N 2 2 256.390 0.846 20 0 CCADLP CC(C)[C@@H]1C[C@@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)CCO1 ZINC000623758686 367647417 /nfs/dbraw/zinc/64/74/17/367647417.db2.gz KTEVUOQRGKFXLR-MJBXVCDLSA-N 2 2 256.390 0.846 20 0 CCADLP O[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000623759332 367648623 /nfs/dbraw/zinc/64/86/23/367648623.db2.gz IKHHEOSTGBXKCO-CHWSQXEVSA-N 2 2 254.374 0.744 20 0 CCADLP O[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000623759332 367648626 /nfs/dbraw/zinc/64/86/26/367648626.db2.gz IKHHEOSTGBXKCO-CHWSQXEVSA-N 2 2 254.374 0.744 20 0 CCADLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)[C@@H]1CCCCO1 ZINC000623892164 367690925 /nfs/dbraw/zinc/69/09/25/367690925.db2.gz GSXPWGGPPTVJET-IHRRRGAJSA-N 2 2 255.406 0.779 20 0 CCADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)[C@@H]1CCCCO1 ZINC000623892164 367690935 /nfs/dbraw/zinc/69/09/35/367690935.db2.gz GSXPWGGPPTVJET-IHRRRGAJSA-N 2 2 255.406 0.779 20 0 CCADLP Cn1nccc1[C@H](CO)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000624018293 367726573 /nfs/dbraw/zinc/72/65/73/367726573.db2.gz PPSYZVKHIUQSGZ-AWEZNQCLSA-N 2 2 278.400 0.918 20 0 CCADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)C1CC[NH+](C)CC1 ZINC000624227101 367795415 /nfs/dbraw/zinc/79/54/15/367795415.db2.gz GZZVXXJWNALWAE-TZMCWYRMSA-N 3 2 255.406 0.373 20 0 CCADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)C1CC[NH+](C)CC1 ZINC000624227101 367795421 /nfs/dbraw/zinc/79/54/21/367795421.db2.gz GZZVXXJWNALWAE-TZMCWYRMSA-N 3 2 255.406 0.373 20 0 CCADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)c1cccc(CO)c1 ZINC000624229420 367796725 /nfs/dbraw/zinc/79/67/25/367796725.db2.gz TVMAPKOFJKXEMB-IUODEOHRSA-N 2 2 264.369 0.896 20 0 CCADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)c1cccc(CO)c1 ZINC000624229420 367796728 /nfs/dbraw/zinc/79/67/28/367796728.db2.gz TVMAPKOFJKXEMB-IUODEOHRSA-N 2 2 264.369 0.896 20 0 CCADLP COCC[NH+]1CCC([NH2+][C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000624342342 367839996 /nfs/dbraw/zinc/83/99/96/367839996.db2.gz CLLQLSSBJAORKR-OAHLLOKOSA-N 2 2 295.427 0.840 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000566446414 291408316 /nfs/dbraw/zinc/40/83/16/291408316.db2.gz BMYGOKAMSPWNOK-UHFFFAOYSA-N 2 2 274.328 0.263 20 0 CCADLP C[NH+](C)Cc1ccc(S(=O)(=O)NCc2c[nH+]c[nH]2)cc1 ZINC000625300751 368141103 /nfs/dbraw/zinc/14/11/03/368141103.db2.gz PHJUFZWCGXEVTB-UHFFFAOYSA-N 2 2 294.380 0.950 20 0 CCADLP C[NH+](C)Cc1ccc(S(=O)(=O)NCc2c[nH]c[nH+]2)cc1 ZINC000625300751 368141109 /nfs/dbraw/zinc/14/11/09/368141109.db2.gz PHJUFZWCGXEVTB-UHFFFAOYSA-N 2 2 294.380 0.950 20 0 CCADLP 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C[C@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632170536 370904699 /nfs/dbraw/zinc/90/46/99/370904699.db2.gz XSSYPCLSYFWXIX-RYUDHWBXSA-N 2 2 289.445 0.435 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C[NH2+]1 ZINC000627209840 368882349 /nfs/dbraw/zinc/88/23/49/368882349.db2.gz JAMYYNXHGMEGPG-HZSPNIEDSA-N 2 2 296.415 0.243 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000627244156 368907741 /nfs/dbraw/zinc/90/77/41/368907741.db2.gz GLQORSMJELFJIW-IACUBPJLSA-N 2 2 290.367 0.995 20 0 CCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627182823 368851441 /nfs/dbraw/zinc/85/14/41/368851441.db2.gz DACSQYQJXSHTEQ-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000627182823 368851443 /nfs/dbraw/zinc/85/14/43/368851443.db2.gz DACSQYQJXSHTEQ-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000423394550 296131514 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C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cnc3ccccc3n2)C1 ZINC000628239348 369222191 /nfs/dbraw/zinc/22/21/91/369222191.db2.gz MPODZFYQJCRGPS-HNNXBMFYSA-N 2 2 272.352 0.786 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cnc3ccccc3n2)C1 ZINC000628239348 369222195 /nfs/dbraw/zinc/22/21/95/369222195.db2.gz MPODZFYQJCRGPS-HNNXBMFYSA-N 2 2 272.352 0.786 20 0 CCADLP COCc1cc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)no1 ZINC000628421533 369265540 /nfs/dbraw/zinc/26/55/40/369265540.db2.gz DOCHKUSNDYPPDK-ZDUSSCGKSA-N 2 2 296.371 0.250 20 0 CCADLP COCc1cc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)no1 ZINC000628421533 369265542 /nfs/dbraw/zinc/26/55/42/369265542.db2.gz DOCHKUSNDYPPDK-ZDUSSCGKSA-N 2 2 296.371 0.250 20 0 CCADLP Cc1ncc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)o1 ZINC000628421659 369265774 /nfs/dbraw/zinc/26/57/74/369265774.db2.gz NMJJCYYFVBAUAG-LBPRGKRZSA-N 2 2 266.345 0.412 20 0 CCADLP Cc1ncc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)o1 ZINC000628421659 369265781 /nfs/dbraw/zinc/26/57/81/369265781.db2.gz NMJJCYYFVBAUAG-LBPRGKRZSA-N 2 2 266.345 0.412 20 0 CCADLP CCN(C(=O)C[N@H+](C)C[C@H](O)C[NH3+])C1CCCCC1 ZINC000312101834 284148009 /nfs/dbraw/zinc/14/80/09/284148009.db2.gz UXZZYYKENQRMPQ-CYBMUJFWSA-N 2 2 271.405 0.419 20 0 CCADLP CCN(C(=O)C[N@@H+](C)C[C@H](O)C[NH3+])C1CCCCC1 ZINC000312101834 284148010 /nfs/dbraw/zinc/14/80/10/284148010.db2.gz UXZZYYKENQRMPQ-CYBMUJFWSA-N 2 2 271.405 0.419 20 0 CCADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628913622 369449450 /nfs/dbraw/zinc/44/94/50/369449450.db2.gz BNVCJFCWNSHOBY-NWDGAFQWSA-N 2 2 271.405 0.600 20 0 CCADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628913622 369449451 /nfs/dbraw/zinc/44/94/51/369449451.db2.gz BNVCJFCWNSHOBY-NWDGAFQWSA-N 2 2 271.405 0.600 20 0 CCADLP CCc1nn(C)cc1C[NH2+]CC1([NH3+])CCOCC1 ZINC000629387126 369651032 /nfs/dbraw/zinc/65/10/32/369651032.db2.gz CLVFKTYGHCFFHN-UHFFFAOYSA-N 2 2 252.362 0.580 20 0 CCADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629562172 369710756 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[NH3+][C@@H]1CC[C@H]2C[N@H+](CCS(=O)(=O)c3ccccn3)C[C@@H]12 ZINC000629517970 369688894 /nfs/dbraw/zinc/68/88/94/369688894.db2.gz CBMCKDKOZUWSFE-YNEHKIRRSA-N 2 2 295.408 0.524 20 0 CCADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCS(=O)(=O)c3ccccn3)C[C@@H]12 ZINC000629517970 369688898 /nfs/dbraw/zinc/68/88/98/369688898.db2.gz CBMCKDKOZUWSFE-YNEHKIRRSA-N 2 2 295.408 0.524 20 0 CCADLP C[N@H+](CCOCC[NH3+])Cc1nc(C(C)(C)C)no1 ZINC000629578822 369721269 /nfs/dbraw/zinc/72/12/69/369721269.db2.gz HGYGHXBRBFMYLZ-UHFFFAOYSA-N 2 2 256.350 0.774 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH2+]CC2([NH3+])CCOCC2)[C@@H](C)C1 ZINC000629522425 369690402 /nfs/dbraw/zinc/69/04/02/369690402.db2.gz ZUCWVJQZCROMBT-QWHCGFSZSA-N 3 2 255.406 0.814 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH2+]CC2([NH3+])CCOCC2)[C@@H](C)C1 ZINC000629522425 369690405 /nfs/dbraw/zinc/69/04/05/369690405.db2.gz ZUCWVJQZCROMBT-QWHCGFSZSA-N 3 2 255.406 0.814 20 0 CCADLP C[N@@H+](CCOCC[NH3+])Cc1nc(C(C)(C)C)no1 ZINC000629578822 369721272 /nfs/dbraw/zinc/72/12/72/369721272.db2.gz HGYGHXBRBFMYLZ-UHFFFAOYSA-N 2 2 256.350 0.774 20 0 CCADLP COc1cncc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)n1 ZINC000629535570 369694864 /nfs/dbraw/zinc/69/48/64/369694864.db2.gz GNFMPGIIIRHTTH-NSHDSACASA-N 2 2 250.346 0.963 20 0 CCADLP O[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000629544236 369697485 /nfs/dbraw/zinc/69/74/85/369697485.db2.gz ILTXKZQHDINWMU-AAVRWANBSA-N 3 2 253.390 0.031 20 0 CCADLP O[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000629544236 369697489 /nfs/dbraw/zinc/69/74/89/369697489.db2.gz ILTXKZQHDINWMU-AAVRWANBSA-N 3 2 253.390 0.031 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC000629546245 369699100 /nfs/dbraw/zinc/69/91/00/369699100.db2.gz GDMVHERADWWBBT-KGLIPLIRSA-N 2 2 297.443 0.992 20 0 CCADLP Cc1cc[nH+]cc1CCC[NH2+]CC(=O)N1CCOCC1 ZINC000276487630 193352472 /nfs/dbraw/zinc/35/24/72/193352472.db2.gz UMWLLJZORGVMAJ-UHFFFAOYSA-N 2 2 277.368 0.771 20 0 CCADLP C[C@@H]([NH2+]CCN1CC[C@H](O)C1)c1c[nH+]ccc1N ZINC000629555769 369705562 /nfs/dbraw/zinc/70/55/62/369705562.db2.gz DITBPVQOMSFPTN-MNOVXSKESA-N 2 2 250.346 0.211 20 0 CCADLP C[C@@H](NCC[N@@H+]1CC[C@H](O)C1)c1c[nH+]ccc1N ZINC000629555769 369705569 /nfs/dbraw/zinc/70/55/69/369705569.db2.gz DITBPVQOMSFPTN-MNOVXSKESA-N 2 2 250.346 0.211 20 0 CCADLP C[C@@H](NCC[N@H+]1CC[C@H](O)C1)c1c[nH+]ccc1N ZINC000629555769 369705573 /nfs/dbraw/zinc/70/55/73/369705573.db2.gz DITBPVQOMSFPTN-MNOVXSKESA-N 2 2 250.346 0.211 20 0 CCADLP O[C@H]1CC[N@H+](CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000629555907 369705728 /nfs/dbraw/zinc/70/57/28/369705728.db2.gz ILTXKZQHDINWMU-DGAVXFQQSA-N 3 2 253.390 0.031 20 0 CCADLP O[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000629555907 369705736 /nfs/dbraw/zinc/70/57/36/369705736.db2.gz ILTXKZQHDINWMU-DGAVXFQQSA-N 3 2 253.390 0.031 20 0 CCADLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COC1CCOCC1 ZINC000629611715 369740305 /nfs/dbraw/zinc/74/03/05/369740305.db2.gz BSJRREZPPLJCSD-QWHCGFSZSA-N 2 2 272.389 0.227 20 0 CCADLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COC1CCOCC1 ZINC000629611715 369740308 /nfs/dbraw/zinc/74/03/08/369740308.db2.gz BSJRREZPPLJCSD-QWHCGFSZSA-N 2 2 272.389 0.227 20 0 CCADLP COC1(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCCC1 ZINC000629646607 369746163 /nfs/dbraw/zinc/74/61/63/369746163.db2.gz BEUKTXQWWBXZIU-CQSZACIVSA-N 2 2 295.427 0.842 20 0 CCADLP COC1(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCCC1 ZINC000629646607 369746166 /nfs/dbraw/zinc/74/61/66/369746166.db2.gz BEUKTXQWWBXZIU-CQSZACIVSA-N 2 2 295.427 0.842 20 0 CCADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]Cc2ccsc2)n1 ZINC000629652592 369747721 /nfs/dbraw/zinc/74/77/21/369747721.db2.gz IWOIIBUGOVCJDN-UHFFFAOYSA-N 2 2 250.327 0.992 20 0 CCADLP C[N@H+](CCOCC[NH3+])Cc1nc2c(s1)C[NH2+]CC2 ZINC000629663981 369751033 /nfs/dbraw/zinc/75/10/33/369751033.db2.gz JBAVDVVRAXSSOP-UHFFFAOYSA-N 3 2 270.402 0.196 20 0 CCADLP C[N@@H+](CCOCC[NH3+])Cc1nc2c(s1)C[NH2+]CC2 ZINC000629663981 369751037 /nfs/dbraw/zinc/75/10/37/369751037.db2.gz JBAVDVVRAXSSOP-UHFFFAOYSA-N 3 2 270.402 0.196 20 0 CCADLP O=C1[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C[C@@H]2CCCCN12 ZINC000629580087 369723304 /nfs/dbraw/zinc/72/33/04/369723304.db2.gz MLVVLXHRLQUPNB-MELADBBJSA-N 2 2 281.400 0.186 20 0 CCADLP COc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)nc1 ZINC000629579383 369723657 /nfs/dbraw/zinc/72/36/57/369723657.db2.gz KYOIXWFHDNFNMH-ZDUSSCGKSA-N 2 2 265.357 0.637 20 0 CCADLP COCCCNC(=O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592375 369732713 /nfs/dbraw/zinc/73/27/13/369732713.db2.gz BATHWMBNNXUKBR-OKILXGFUSA-N 2 2 269.389 0.071 20 0 CCADLP COCCCNC(=O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592375 369732718 /nfs/dbraw/zinc/73/27/18/369732718.db2.gz BATHWMBNNXUKBR-OKILXGFUSA-N 2 2 269.389 0.071 20 0 CCADLP CC1(C)NC(=O)N(CC[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1=O ZINC000629596573 369733798 /nfs/dbraw/zinc/73/37/98/369733798.db2.gz RZXIYIRINPSWEV-GASCZTMLSA-N 2 2 294.399 0.248 20 0 CCADLP CC1(C)NC(=O)N(CC[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1=O ZINC000629596573 369733802 /nfs/dbraw/zinc/73/38/02/369733802.db2.gz RZXIYIRINPSWEV-GASCZTMLSA-N 2 2 294.399 0.248 20 0 CCADLP CO[C@@H]1C[N@H+]([C@H]2CCCN(C(C)C)C2=O)[C@@](C)(C[NH3+])C1 ZINC000630366891 370067754 /nfs/dbraw/zinc/06/77/54/370067754.db2.gz XBROTOBXOVDRAZ-KCQAQPDRSA-N 2 2 283.416 0.824 20 0 CCADLP CO[C@@H]1C[N@@H+]([C@H]2CCCN(C(C)C)C2=O)[C@@](C)(C[NH3+])C1 ZINC000630366891 370067755 /nfs/dbraw/zinc/06/77/55/370067755.db2.gz XBROTOBXOVDRAZ-KCQAQPDRSA-N 2 2 283.416 0.824 20 0 CCADLP c1nc(NC[C@H]2COCC[NH2+]2)cc(N2CCSCC2)[nH+]1 ZINC000630533995 370153846 /nfs/dbraw/zinc/15/38/46/370153846.db2.gz YDORUAGUYXENOO-NSHDSACASA-N 2 2 295.412 0.430 20 0 CCADLP C[C@H](O)[C@H]1CCN(c2cc(NC3CC[NH2+]CC3)[nH+]cn2)C1 ZINC000630552887 370165251 /nfs/dbraw/zinc/16/52/51/370165251.db2.gz MKGPRDTWSGQBKK-RYUDHWBXSA-N 2 2 291.399 0.848 20 0 CCADLP C[C@H](O)[C@H]1CCN(c2cc(NC3CC[NH2+]CC3)nc[nH+]2)C1 ZINC000630552887 370165259 /nfs/dbraw/zinc/16/52/59/370165259.db2.gz MKGPRDTWSGQBKK-RYUDHWBXSA-N 2 2 291.399 0.848 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000630746621 370256262 /nfs/dbraw/zinc/25/62/62/370256262.db2.gz DQBPVCRMTIUDRE-LBPRGKRZSA-N 2 2 290.371 0.460 20 0 CCADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000631056166 370370057 /nfs/dbraw/zinc/37/00/57/370370057.db2.gz KQGDAFLDSAIEAS-CHWSQXEVSA-N 2 2 281.404 0.744 20 0 CCADLP Cc1nc(NC[C@H](c2ccc(F)cc2)[NH+](C)C)nc(N)[nH+]1 ZINC000631064114 370372971 /nfs/dbraw/zinc/37/29/71/370372971.db2.gz ISAKWJALQFVYBQ-GFCCVEGCSA-N 2 2 290.346 0.868 20 0 CCADLP Cc1nc(N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)nc(N)[nH+]1 ZINC000631072334 370376828 /nfs/dbraw/zinc/37/68/28/370376828.db2.gz TXWRHYRZIORCOW-GARJFASQSA-N 2 2 278.404 0.793 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCCc2[nH]cc[nH+]2)CC[N@@H+]1C ZINC000631208216 370423652 /nfs/dbraw/zinc/42/36/52/370423652.db2.gz QJNPYJURBPQYCI-WDEREUQCSA-N 2 2 250.346 0.799 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCCc2[nH]cc[nH+]2)CC[N@H+]1C ZINC000631208216 370423658 /nfs/dbraw/zinc/42/36/58/370423658.db2.gz QJNPYJURBPQYCI-WDEREUQCSA-N 2 2 250.346 0.799 20 0 CCADLP C[C@@H](C[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1)C[NH+](C)C ZINC000631139900 370396869 /nfs/dbraw/zinc/39/68/69/370396869.db2.gz KTFGDSBAMFJIMX-STQMWFEESA-N 2 2 281.404 0.602 20 0 CCADLP O=c1ccc(C[NH2+][C@@H]2CCC[N@@H+](CCCO)C2)c[nH]1 ZINC000631147578 370400686 /nfs/dbraw/zinc/40/06/86/370400686.db2.gz RUNNUDWWLNWRAT-CYBMUJFWSA-N 2 2 265.357 0.724 20 0 CCADLP O=c1ccc(C[NH2+][C@@H]2CCC[N@H+](CCCO)C2)c[nH]1 ZINC000631147578 370400691 /nfs/dbraw/zinc/40/06/91/370400691.db2.gz RUNNUDWWLNWRAT-CYBMUJFWSA-N 2 2 265.357 0.724 20 0 CCADLP CCc1cc(N[C@H](CO)C[NH+]2CCOCC2)nc(C)[nH+]1 ZINC000631306357 370465341 /nfs/dbraw/zinc/46/53/41/370465341.db2.gz FGHXAKRFBGKAAT-ZDUSSCGKSA-N 2 2 280.372 0.452 20 0 CCADLP CC[C@]1(O)CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000640036713 376205905 /nfs/dbraw/zinc/20/59/05/376205905.db2.gz WLXKGOUOGLQLBH-KGLIPLIRSA-N 2 2 256.390 0.678 20 0 CCADLP CC[C@]1(O)CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000640036713 376205907 /nfs/dbraw/zinc/20/59/07/376205907.db2.gz WLXKGOUOGLQLBH-KGLIPLIRSA-N 2 2 256.390 0.678 20 0 CCADLP CC[C@]1(O)CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000640036713 376205909 /nfs/dbraw/zinc/20/59/09/376205909.db2.gz WLXKGOUOGLQLBH-KGLIPLIRSA-N 2 2 256.390 0.678 20 0 CCADLP CC[C@]1(O)CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000640036713 376205911 /nfs/dbraw/zinc/20/59/11/376205911.db2.gz WLXKGOUOGLQLBH-KGLIPLIRSA-N 2 2 256.390 0.678 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000633081201 371388384 /nfs/dbraw/zinc/38/83/84/371388384.db2.gz HWYWNUZCRQXRRY-JTQLQIEISA-N 2 2 251.334 0.645 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000633081201 371388386 /nfs/dbraw/zinc/38/83/86/371388386.db2.gz HWYWNUZCRQXRRY-JTQLQIEISA-N 2 2 251.334 0.645 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000633042945 371375507 /nfs/dbraw/zinc/37/55/07/371375507.db2.gz WUBKPXBFQFXDGU-NXEZZACHSA-N 2 2 287.323 0.221 20 0 CCADLP Cc1cc(NC(=O)C[NH+](C)C)cc(NC(=O)C[NH+](C)C)c1 ZINC000633911774 371777184 /nfs/dbraw/zinc/77/71/84/371777184.db2.gz NLLJUVWIXICEGI-UHFFFAOYSA-N 2 2 292.383 0.995 20 0 CCADLP C[C@H]([NH2+]CC1([NH3+])CCC1)C(=O)NCC(F)(F)F ZINC000567891109 291531085 /nfs/dbraw/zinc/53/10/85/291531085.db2.gz DBPDHXLIKAIPNC-ZETCQYMHSA-N 2 2 253.268 0.524 20 0 CCADLP [NH3+]CCCCn1cc(C[NH+]2CCSCC2)nn1 ZINC000656438880 412793611 /nfs/dbraw/zinc/79/36/11/412793611.db2.gz DVGYOMNNIMKRFN-UHFFFAOYSA-N 2 2 255.391 0.566 20 0 CCADLP C[C@](O)(C[NH2+]C[C@@H](O)C[NH+]1CCCC1)C(F)(F)F ZINC000567898776 291532952 /nfs/dbraw/zinc/53/29/52/291532952.db2.gz AYMCVMSLJAGLQN-ZJUUUORDSA-N 2 2 270.295 0.346 20 0 CCADLP C[C@@H]1CC[C@@H](C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)O1 ZINC000634688474 372132788 /nfs/dbraw/zinc/13/27/88/372132788.db2.gz TZPFWKCRLQDBPI-VZZFWQQMSA-N 2 2 264.373 0.714 20 0 CCADLP C[C@@H]1CC[C@@H](C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)O1 ZINC000634688474 372132796 /nfs/dbraw/zinc/13/27/96/372132796.db2.gz TZPFWKCRLQDBPI-VZZFWQQMSA-N 2 2 264.373 0.714 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CC2(O)CCOCC2)C[N@@H+]1C1CC1 ZINC000634707460 372152718 /nfs/dbraw/zinc/15/27/18/372152718.db2.gz GRQMLPOTYWOYPI-VNHYZAJKSA-N 2 2 298.427 0.494 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CC2(O)CCOCC2)C[N@H+]1C1CC1 ZINC000634707460 372152722 /nfs/dbraw/zinc/15/27/22/372152722.db2.gz GRQMLPOTYWOYPI-VNHYZAJKSA-N 2 2 298.427 0.494 20 0 CCADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1COCC[C@H]1O ZINC000634729548 372174856 /nfs/dbraw/zinc/17/48/56/372174856.db2.gz OHCDWILUZJOQHD-BZUAXINKSA-N 2 2 294.395 0.219 20 0 CCADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1COCC[C@H]1O ZINC000634729548 372174863 /nfs/dbraw/zinc/17/48/63/372174863.db2.gz OHCDWILUZJOQHD-BZUAXINKSA-N 2 2 294.395 0.219 20 0 CCADLP C[C@H](O)CNc1cc(N2CCCC[C@@H]2CC[NH3+])nc[nH+]1 ZINC000634808742 372249441 /nfs/dbraw/zinc/24/94/41/372249441.db2.gz BGWJSKDPUIQVKF-NWDGAFQWSA-N 2 2 279.388 0.977 20 0 CCADLP C[C@H](O)CNc1cc(N2CCCC[C@@H]2CC[NH3+])[nH+]cn1 ZINC000634808742 372249448 /nfs/dbraw/zinc/24/94/48/372249448.db2.gz BGWJSKDPUIQVKF-NWDGAFQWSA-N 2 2 279.388 0.977 20 0 CCADLP Nc1[nH+]cnc(N2CC[C@H]3OCC[NH2+][C@H]3C2)c1Cl ZINC000634809714 372252128 /nfs/dbraw/zinc/25/21/28/372252128.db2.gz YQNDEFCOEXWYEE-JGVFFNPUSA-N 2 2 269.736 0.279 20 0 CCADLP C[C@@H](O)CNc1cc(N2CCC[C@H]3C[NH2+]C[C@H]32)nc[nH+]1 ZINC000634810539 372255295 /nfs/dbraw/zinc/25/52/95/372255295.db2.gz ABTDJKXZNDDHPR-GRYCIOLGSA-N 2 2 277.372 0.458 20 0 CCADLP c1nc(N2CCC[C@@H]3C[NH2+]CC[C@H]32)c2c([nH+]1)NCCO2 ZINC000634812910 372256255 /nfs/dbraw/zinc/25/62/55/372256255.db2.gz UOAPYAVXYOSIPH-GHMZBOCLSA-N 2 2 275.356 0.859 20 0 CCADLP c1nc2c(c(N3CCC[C@@H]4C[NH2+]CC[C@H]43)[nH+]1)OCCN2 ZINC000634812910 372256261 /nfs/dbraw/zinc/25/62/61/372256261.db2.gz UOAPYAVXYOSIPH-GHMZBOCLSA-N 2 2 275.356 0.859 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634968287 372319023 /nfs/dbraw/zinc/31/90/23/372319023.db2.gz KWOKKNSEUNRFEG-MDZLAQPJSA-N 2 2 251.374 0.727 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634968287 372319032 /nfs/dbraw/zinc/31/90/32/372319032.db2.gz KWOKKNSEUNRFEG-MDZLAQPJSA-N 2 2 251.374 0.727 20 0 CCADLP CCn1cc[nH+]c1CN1CCC([NH2+]CCO)CC1 ZINC000635001055 372338181 /nfs/dbraw/zinc/33/81/81/372338181.db2.gz DDPRHPNELQEHHM-UHFFFAOYSA-N 2 2 252.362 0.449 20 0 CCADLP Nc1ccc(C[NH+]2CCC([NH2+]CCO)CC2)cn1 ZINC000635001352 372338353 /nfs/dbraw/zinc/33/83/53/372338353.db2.gz PWUWWXGURPQNCX-UHFFFAOYSA-N 2 2 250.346 0.040 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)[C@H](C)O1 ZINC000635003537 372340657 /nfs/dbraw/zinc/34/06/57/372340657.db2.gz DQBJOIYJCUPUGC-NGKICAJHSA-N 2 2 254.374 0.909 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)[C@@H]1CCC[NH2+]1 ZINC000635022990 372351361 /nfs/dbraw/zinc/35/13/61/372351361.db2.gz QRHNSIILDBZXTA-KWCYVHTRSA-N 2 2 281.400 0.496 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@@H](C)[NH+](C)C)[NH+]1CCOCC1 ZINC000635174260 372404055 /nfs/dbraw/zinc/40/40/55/372404055.db2.gz IRSRDOAUXRMWBW-CHWSQXEVSA-N 2 2 271.405 0.410 20 0 CCADLP CC(C)C[C@H](C(=O)N1CC[NH+](CCO)CC1)n1cc[nH+]c1 ZINC000635248138 372427924 /nfs/dbraw/zinc/42/79/24/372427924.db2.gz HNLCUKWDGTUXHN-CQSZACIVSA-N 2 2 294.399 0.607 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC000635466596 372536210 /nfs/dbraw/zinc/53/62/10/372536210.db2.gz WVRPOIKDCHXWMI-GFCCVEGCSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC000635466596 372536215 /nfs/dbraw/zinc/53/62/15/372536215.db2.gz WVRPOIKDCHXWMI-GFCCVEGCSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C[NH+](C)CC(C)(C)C ZINC000635502296 372566334 /nfs/dbraw/zinc/56/63/34/372566334.db2.gz ZMMFRLDJYSDZFX-CYBMUJFWSA-N 2 2 285.432 0.801 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C[NH+](C)CC(C)(C)C ZINC000635502296 372566341 /nfs/dbraw/zinc/56/63/41/372566341.db2.gz ZMMFRLDJYSDZFX-CYBMUJFWSA-N 2 2 285.432 0.801 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC000635502296 372566344 /nfs/dbraw/zinc/56/63/44/372566344.db2.gz ZMMFRLDJYSDZFX-CYBMUJFWSA-N 2 2 285.432 0.801 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC000635502296 372566351 /nfs/dbraw/zinc/56/63/51/372566351.db2.gz ZMMFRLDJYSDZFX-CYBMUJFWSA-N 2 2 285.432 0.801 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635516902 372580251 /nfs/dbraw/zinc/58/02/51/372580251.db2.gz IXQIDGAEXMGXKL-DZGCQCFKSA-N 2 2 295.427 0.528 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635516902 372580256 /nfs/dbraw/zinc/58/02/56/372580256.db2.gz IXQIDGAEXMGXKL-DZGCQCFKSA-N 2 2 295.427 0.528 20 0 CCADLP C[C@@H]1CN(C(=O)NCCn2cc[nH+]c2)C[C@H]1C[NH3+] ZINC000635526532 372588596 /nfs/dbraw/zinc/58/85/96/372588596.db2.gz AXHYUCWIUNABNQ-GHMZBOCLSA-N 2 2 251.334 0.119 20 0 CCADLP CC(C)(C[NH+]1CCOCC1)C(=O)NCCc1[nH]cc[nH+]1 ZINC000635545321 372609269 /nfs/dbraw/zinc/60/92/69/372609269.db2.gz RQRWRRFUUNDESP-UHFFFAOYSA-N 2 2 280.372 0.427 20 0 CCADLP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635541725 372606012 /nfs/dbraw/zinc/60/60/12/372606012.db2.gz XDTDXNKVRRETTH-QJPTWQEYSA-N 2 2 262.357 0.971 20 0 CCADLP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635541725 372606021 /nfs/dbraw/zinc/60/60/21/372606021.db2.gz XDTDXNKVRRETTH-QJPTWQEYSA-N 2 2 262.357 0.971 20 0 CCADLP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635541725 372606027 /nfs/dbraw/zinc/60/60/27/372606027.db2.gz XDTDXNKVRRETTH-QJPTWQEYSA-N 2 2 262.357 0.971 20 0 CCADLP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635541725 372606033 /nfs/dbraw/zinc/60/60/33/372606033.db2.gz XDTDXNKVRRETTH-QJPTWQEYSA-N 2 2 262.357 0.971 20 0 CCADLP C[C@H](CNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Cn1cc[nH+]c1 ZINC000635591321 372662960 /nfs/dbraw/zinc/66/29/60/372662960.db2.gz CZAUTVXHFLTSRM-MGPQQGTHSA-N 2 2 292.383 0.499 20 0 CCADLP C[C@H](CNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1)Cn1cc[nH+]c1 ZINC000635591321 372662965 /nfs/dbraw/zinc/66/29/65/372662965.db2.gz CZAUTVXHFLTSRM-MGPQQGTHSA-N 2 2 292.383 0.499 20 0 CCADLP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)[C@H]1CCC[NH2+]1 ZINC000237973508 189895463 /nfs/dbraw/zinc/89/54/63/189895463.db2.gz XRPLPHRKLOLVOG-OCCSQVGLSA-N 2 2 299.440 0.063 20 0 CCADLP CC(C)C[C@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)n1cc[nH+]c1 ZINC000635727536 372822363 /nfs/dbraw/zinc/82/23/63/372822363.db2.gz LXWNTJBPCJVYCY-UKRRQHHQSA-N 2 2 296.415 0.899 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635789464 372911017 /nfs/dbraw/zinc/91/10/17/372911017.db2.gz MGWSAUPCCRBTNM-LLVKDONJSA-N 2 2 250.346 0.421 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635789464 372911020 /nfs/dbraw/zinc/91/10/20/372911020.db2.gz MGWSAUPCCRBTNM-LLVKDONJSA-N 2 2 250.346 0.421 20 0 CCADLP CC(C)C[C@H](C(=O)NC[C@]1(O)CC[N@H+](C)C1)n1cc[nH+]c1 ZINC000635802922 372932357 /nfs/dbraw/zinc/93/23/57/372932357.db2.gz XJCPETFDRVIKGX-UKRRQHHQSA-N 2 2 294.399 0.653 20 0 CCADLP CC(C)C[C@H](C(=O)NC[C@]1(O)CC[N@@H+](C)C1)n1cc[nH+]c1 ZINC000635802922 372932360 /nfs/dbraw/zinc/93/23/60/372932360.db2.gz XJCPETFDRVIKGX-UKRRQHHQSA-N 2 2 294.399 0.653 20 0 CCADLP CCc1c[nH]c(CC(=O)NCC[N@H+]2CC=CCC2)[nH+]1 ZINC000635878418 373042471 /nfs/dbraw/zinc/04/24/71/373042471.db2.gz WDGVPPGPTNXKEG-UHFFFAOYSA-N 2 2 262.357 0.893 20 0 CCADLP CCc1c[nH]c(CC(=O)NCC[N@@H+]2CC=CCC2)[nH+]1 ZINC000635878418 373042479 /nfs/dbraw/zinc/04/24/79/373042479.db2.gz WDGVPPGPTNXKEG-UHFFFAOYSA-N 2 2 262.357 0.893 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000635918421 373105121 /nfs/dbraw/zinc/10/51/21/373105121.db2.gz BGWXEQFGASCUTE-KFWWJZLASA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC000635918421 373105123 /nfs/dbraw/zinc/10/51/23/373105123.db2.gz BGWXEQFGASCUTE-KFWWJZLASA-N 2 2 295.427 0.792 20 0 CCADLP C[N@H+](CC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)CC(C)(C)C ZINC000635990487 373213385 /nfs/dbraw/zinc/21/33/85/373213385.db2.gz AEQIMPKFGQGWMF-OKILXGFUSA-N 2 2 297.443 0.944 20 0 CCADLP C[N@@H+](CC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)CC(C)(C)C ZINC000635990487 373213388 /nfs/dbraw/zinc/21/33/88/373213388.db2.gz AEQIMPKFGQGWMF-OKILXGFUSA-N 2 2 297.443 0.944 20 0 CCADLP C[NH+](CC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)CC(C)(C)C ZINC000635990487 373213395 /nfs/dbraw/zinc/21/33/95/373213395.db2.gz AEQIMPKFGQGWMF-OKILXGFUSA-N 2 2 297.443 0.944 20 0 CCADLP C[NH+](CC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)CC(C)(C)C ZINC000635990487 373213402 /nfs/dbraw/zinc/21/34/02/373213402.db2.gz AEQIMPKFGQGWMF-OKILXGFUSA-N 2 2 297.443 0.944 20 0 CCADLP C[NH+](C)CC(C)(C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636012035 373242801 /nfs/dbraw/zinc/24/28/01/373242801.db2.gz CPZABCNNIMRJHE-NXEZZACHSA-N 2 2 250.346 0.970 20 0 CCADLP C[NH+](C)CC(C)(C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636012035 373242806 /nfs/dbraw/zinc/24/28/06/373242806.db2.gz CPZABCNNIMRJHE-NXEZZACHSA-N 2 2 250.346 0.970 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[N@H+](CCO)C[C@@H]2C)[nH+]1 ZINC000636011729 373242965 /nfs/dbraw/zinc/24/29/65/373242965.db2.gz KNPPTCGZANTCQW-NSHDSACASA-N 2 2 280.372 0.040 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)[nH+]1 ZINC000636011729 373242968 /nfs/dbraw/zinc/24/29/68/373242968.db2.gz KNPPTCGZANTCQW-NSHDSACASA-N 2 2 280.372 0.040 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)C23CCC[NH+](CCC2)C3)c1 ZINC000636016825 373251731 /nfs/dbraw/zinc/25/17/31/373251731.db2.gz YKRGLZWLYUSIOE-UHFFFAOYSA-N 2 2 276.384 0.955 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000636169397 373423041 /nfs/dbraw/zinc/42/30/41/373423041.db2.gz QYXVBGHSRIGWJK-UHFFFAOYSA-N 2 2 280.372 0.727 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000636169397 373423047 /nfs/dbraw/zinc/42/30/47/373423047.db2.gz QYXVBGHSRIGWJK-UHFFFAOYSA-N 2 2 280.372 0.727 20 0 CCADLP C[N@H+](CC(=O)NC[C@@H]1COCC[NH+]1C)CC(C)(C)C ZINC000636279140 373511720 /nfs/dbraw/zinc/51/17/20/373511720.db2.gz JIHYWKAGZMENDU-GFCCVEGCSA-N 2 2 271.405 0.411 20 0 CCADLP C[N@@H+](CC(=O)NC[C@@H]1COCC[NH+]1C)CC(C)(C)C ZINC000636279140 373511724 /nfs/dbraw/zinc/51/17/24/373511724.db2.gz JIHYWKAGZMENDU-GFCCVEGCSA-N 2 2 271.405 0.411 20 0 CCADLP C[NH+](CC(=O)NC[C@@H]1COCC[N@@H+]1C)CC(C)(C)C ZINC000636279140 373511731 /nfs/dbraw/zinc/51/17/31/373511731.db2.gz JIHYWKAGZMENDU-GFCCVEGCSA-N 2 2 271.405 0.411 20 0 CCADLP C[NH+](CC(=O)NC[C@@H]1COCC[N@H+]1C)CC(C)(C)C ZINC000636279140 373511739 /nfs/dbraw/zinc/51/17/39/373511739.db2.gz JIHYWKAGZMENDU-GFCCVEGCSA-N 2 2 271.405 0.411 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000636910095 373816289 /nfs/dbraw/zinc/81/62/89/373816289.db2.gz ZLBPFCIPCUPBOW-SOUVJXGZSA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000636910095 373816295 /nfs/dbraw/zinc/81/62/95/373816295.db2.gz ZLBPFCIPCUPBOW-SOUVJXGZSA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2COCC[N@@H+]2CC)[C@@H](C)C1 ZINC000636910095 373816302 /nfs/dbraw/zinc/81/63/02/373816302.db2.gz ZLBPFCIPCUPBOW-SOUVJXGZSA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2COCC[N@H+]2CC)[C@@H](C)C1 ZINC000636910095 373816310 /nfs/dbraw/zinc/81/63/10/373816310.db2.gz ZLBPFCIPCUPBOW-SOUVJXGZSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@@H](NC(=O)N[C@H]1Cc2c[nH+]cn2C1)C1=CC[N@@H+](C)CC1 ZINC000637033955 373889615 /nfs/dbraw/zinc/88/96/15/373889615.db2.gz NQMSEPLLWWSIKX-YPMHNXCESA-N 2 2 289.383 0.757 20 0 CCADLP [NH3+]CC(F)(F)CC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000574459300 335021579 /nfs/dbraw/zinc/02/15/79/335021579.db2.gz ADAVXRXIBSAMEL-UHFFFAOYSA-N 2 2 282.294 0.977 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)c2[nH+]ccn21 ZINC000637197287 373996750 /nfs/dbraw/zinc/99/67/50/373996750.db2.gz HVFACGSJEOIQGD-WOPDTQHZSA-N 2 2 293.371 0.255 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)c2[nH+]ccn21 ZINC000637197287 373996757 /nfs/dbraw/zinc/99/67/57/373996757.db2.gz HVFACGSJEOIQGD-WOPDTQHZSA-N 2 2 293.371 0.255 20 0 CCADLP C[NH+](C)C1CCC(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1 ZINC000637234985 374035823 /nfs/dbraw/zinc/03/58/23/374035823.db2.gz RXVJKJLEJKNLRA-CPCZMJQVSA-N 2 2 291.399 0.980 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@H]2CCC[NH+]2C)[C@H](C)CO1 ZINC000637379388 374128154 /nfs/dbraw/zinc/12/81/54/374128154.db2.gz FBWXJCTVPCVRGC-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@H]2CCC[NH+]2C)[C@H](C)CO1 ZINC000637379388 374128160 /nfs/dbraw/zinc/12/81/60/374128160.db2.gz FBWXJCTVPCVRGC-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@H]2CCC[N@@H+]2C)[C@H](C)CO1 ZINC000637379388 374128167 /nfs/dbraw/zinc/12/81/67/374128167.db2.gz FBWXJCTVPCVRGC-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@H]2CCC[N@H+]2C)[C@H](C)CO1 ZINC000637379388 374128171 /nfs/dbraw/zinc/12/81/71/374128171.db2.gz FBWXJCTVPCVRGC-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](CCNC(=O)NCCCn1cc[nH+]c1)[NH+](C)C ZINC000656542445 412820562 /nfs/dbraw/zinc/82/05/62/412820562.db2.gz HHIOFXYYXBMJKX-GFCCVEGCSA-N 2 2 267.377 0.913 20 0 CCADLP CC[NH2+]CCNC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000637826205 374365609 /nfs/dbraw/zinc/36/56/09/374365609.db2.gz LTUQRZBEABMXKJ-LLVKDONJSA-N 2 2 250.346 0.480 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CCCC[C@@H]2C[NH3+])[nH+]1 ZINC000637816742 374351488 /nfs/dbraw/zinc/35/14/88/374351488.db2.gz KJPCJGAUYPIVTF-LLVKDONJSA-N 2 2 250.346 0.854 20 0 CCADLP C[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CN(C)Cc1ccccc1 ZINC000637816437 374351757 /nfs/dbraw/zinc/35/17/57/374351757.db2.gz HSLGHMKFQZUIRL-ZFWWWQNUSA-N 2 2 290.411 0.266 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000637850307 374406633 /nfs/dbraw/zinc/40/66/33/374406633.db2.gz WQGWKORJTTUBOB-ONGXEEELSA-N 2 2 250.346 0.846 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CCC[C@@H]2C[NH2+]C)[nH+]1 ZINC000637862883 374423036 /nfs/dbraw/zinc/42/30/36/374423036.db2.gz QWEGBBNREJLGPQ-LLVKDONJSA-N 2 2 250.346 0.725 20 0 CCADLP CCN(C(=O)NCC[NH+]1CCOCC1)[C@H]1CC[N@H+](CC)C1 ZINC000656546075 412822363 /nfs/dbraw/zinc/82/23/63/412822363.db2.gz SXSIMSQWMHKYTR-AWEZNQCLSA-N 2 2 298.431 0.444 20 0 CCADLP CCN(C(=O)NCC[NH+]1CCOCC1)[C@H]1CC[N@@H+](CC)C1 ZINC000656546075 412822368 /nfs/dbraw/zinc/82/23/68/412822368.db2.gz SXSIMSQWMHKYTR-AWEZNQCLSA-N 2 2 298.431 0.444 20 0 CCADLP CC(=O)N1CC[N@H+](CCn2cc[nH+]c2C)[C@H](C)C1 ZINC000334152450 206102123 /nfs/dbraw/zinc/10/21/23/206102123.db2.gz WFXDVYJIDBIECV-LLVKDONJSA-N 2 2 250.346 0.744 20 0 CCADLP CC(=O)N1CC[N@@H+](CCn2cc[nH+]c2C)[C@H](C)C1 ZINC000334152450 206102125 /nfs/dbraw/zinc/10/21/25/206102125.db2.gz WFXDVYJIDBIECV-LLVKDONJSA-N 2 2 250.346 0.744 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000568491051 291596824 /nfs/dbraw/zinc/59/68/24/291596824.db2.gz ZJPVMNMDEZLJEO-GFCCVEGCSA-N 2 2 279.388 0.998 20 0 CCADLP C[NH+]1CCN(C[C@@H]2C[N@H+](CCC[C@@H]3CCO3)CCO2)CC1 ZINC000638053113 374596152 /nfs/dbraw/zinc/59/61/52/374596152.db2.gz QOVPELHWGLUXIL-CVEARBPZSA-N 2 2 297.443 0.504 20 0 CCADLP C[NH+]1CCN(C[C@@H]2C[N@@H+](CCC[C@@H]3CCO3)CCO2)CC1 ZINC000638053113 374596167 /nfs/dbraw/zinc/59/61/67/374596167.db2.gz QOVPELHWGLUXIL-CVEARBPZSA-N 2 2 297.443 0.504 20 0 CCADLP CC[NH2+][C@H](C)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000638067141 374612124 /nfs/dbraw/zinc/61/21/24/374612124.db2.gz AUOJCGGWZSAZQM-SNVBAGLBSA-N 2 2 250.346 0.762 20 0 CCADLP CC[NH2+][C@H](C)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000638068003 374614826 /nfs/dbraw/zinc/61/48/26/374614826.db2.gz IOUKVPVXUIVSDH-SNVBAGLBSA-N 2 2 250.346 0.762 20 0 CCADLP CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000638069285 374618068 /nfs/dbraw/zinc/61/80/68/374618068.db2.gz OSPAKAOAAKHHHP-DOMZBBRYSA-N 2 2 292.383 0.531 20 0 CCADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@H](C)Cn2cc[nH+]c2)C1 ZINC000638072383 374623937 /nfs/dbraw/zinc/62/39/37/374623937.db2.gz FUHOGZPHKDCJDD-NTZNESFSSA-N 2 2 266.345 0.155 20 0 CCADLP C[C@]1(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C[NH2+]CCO1 ZINC000638090680 374650167 /nfs/dbraw/zinc/65/01/67/374650167.db2.gz JYZXGZJDTPXNPS-CQSZACIVSA-N 2 2 278.356 0.494 20 0 CCADLP COc1cccc(C[C@@H]([NH3+])C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000638111796 374677576 /nfs/dbraw/zinc/67/75/76/374677576.db2.gz GGCKIVYCOPOEHY-CYBMUJFWSA-N 2 2 288.351 0.647 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000638213253 374801431 /nfs/dbraw/zinc/80/14/31/374801431.db2.gz XOAKRQXTQQHLMA-PWSUYJOCSA-N 2 2 264.373 0.868 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000638230390 374822443 /nfs/dbraw/zinc/82/24/43/374822443.db2.gz KFRHBDWVVQOZBW-DFAYQTQMSA-N 2 2 250.346 0.763 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000638230390 374822449 /nfs/dbraw/zinc/82/24/49/374822449.db2.gz KFRHBDWVVQOZBW-DFAYQTQMSA-N 2 2 250.346 0.763 20 0 CCADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)N(C)Cc2[nH+]ccn2C)C1 ZINC000638270714 374871456 /nfs/dbraw/zinc/87/14/56/374871456.db2.gz GOYWWAKWPLYYAZ-ZWNOBZJWSA-N 2 2 266.345 0.146 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)[nH+]1 ZINC000638246847 374839078 /nfs/dbraw/zinc/83/90/78/374839078.db2.gz FXEFAEXWLJHAKC-WPRPVWTQSA-N 2 2 254.309 0.331 20 0 CCADLP Cc1cn2ccc(C(=O)NC[C@@H]3C[NH2+]CCO3)cc2[nH+]1 ZINC000638338081 374939704 /nfs/dbraw/zinc/93/97/04/374939704.db2.gz QPVSFPKTXXEKJE-LBPRGKRZSA-N 2 2 274.324 0.361 20 0 CCADLP CN(CC[NH3+])C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000638343979 374944123 /nfs/dbraw/zinc/94/41/23/374944123.db2.gz QHESWXHEJYJIGI-MRVPVSSYSA-N 2 2 264.251 0.794 20 0 CCADLP Cc1c(C[NH3+])c(=NC(=O)[C@@H]2CCCC[N@@H+]2C)[nH]n1C ZINC000638400562 374997152 /nfs/dbraw/zinc/99/71/52/374997152.db2.gz RFZGMPOFJLBZQK-NSHDSACASA-N 2 2 265.361 0.032 20 0 CCADLP Cc1c(C[NH3+])c(=NC(=O)[C@@H]2CCCC[N@H+]2C)[nH]n1C ZINC000638400562 374997157 /nfs/dbraw/zinc/99/71/57/374997157.db2.gz RFZGMPOFJLBZQK-NSHDSACASA-N 2 2 265.361 0.032 20 0 CCADLP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NCc1c[nH+]c(N)nc1N ZINC000638413393 375010854 /nfs/dbraw/zinc/01/08/54/375010854.db2.gz VABXHRGSQVIHBI-QWRGUYRKSA-N 2 2 278.404 0.512 20 0 CCADLP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NCc1c[nH+]c(N)nc1N ZINC000638413393 375010859 /nfs/dbraw/zinc/01/08/59/375010859.db2.gz VABXHRGSQVIHBI-QWRGUYRKSA-N 2 2 278.404 0.512 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000638424962 375021168 /nfs/dbraw/zinc/02/11/68/375021168.db2.gz CYJRFDKUGHBLJC-HIFRSBDPSA-N 3 2 296.459 0.611 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000638424962 375021175 /nfs/dbraw/zinc/02/11/75/375021175.db2.gz CYJRFDKUGHBLJC-HIFRSBDPSA-N 3 2 296.459 0.611 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000638505760 375095426 /nfs/dbraw/zinc/09/54/26/375095426.db2.gz NUGOZPBSLDTRAX-IUCAKERBSA-N 2 2 259.300 0.384 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](OC)[C@H]1CCOC1 ZINC000638511401 375101621 /nfs/dbraw/zinc/10/16/21/375101621.db2.gz ZYKOYRQJUIGXDY-ZNMIVQPWSA-N 2 2 286.416 0.738 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](OC)[C@H]1CCOC1 ZINC000638511401 375101628 /nfs/dbraw/zinc/10/16/28/375101628.db2.gz ZYKOYRQJUIGXDY-ZNMIVQPWSA-N 2 2 286.416 0.738 20 0 CCADLP Cc1cc(NCCNC(=O)C[C@@H](C)[NH3+])nc(C(C)C)[nH+]1 ZINC000638584586 375164569 /nfs/dbraw/zinc/16/45/69/375164569.db2.gz UFSIEBGBHFPPSI-SNVBAGLBSA-N 2 2 279.388 0.596 20 0 CCADLP CCN(CC[NH3+])C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000638518528 375112791 /nfs/dbraw/zinc/11/27/91/375112791.db2.gz OJFDUHINDTXKRR-UHFFFAOYSA-N 2 2 259.313 0.688 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000638609135 375188795 /nfs/dbraw/zinc/18/87/95/375188795.db2.gz DZAVKHHNXORPLQ-UONOGXRCSA-N 2 2 295.358 0.315 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000638609135 375188803 /nfs/dbraw/zinc/18/88/03/375188803.db2.gz DZAVKHHNXORPLQ-UONOGXRCSA-N 2 2 295.358 0.315 20 0 CCADLP C[C@H](CC(=O)NC[C@@H]1COCC[N@@H+]1C)[C@H]1CCC[NH2+]C1 ZINC000638612073 375193758 /nfs/dbraw/zinc/19/37/58/375193758.db2.gz SFYZRKAYSXHSGR-HZSPNIEDSA-N 2 2 283.416 0.459 20 0 CCADLP C[C@H](CC(=O)NC[C@@H]1COCC[N@H+]1C)[C@H]1CCC[NH2+]C1 ZINC000638612073 375193762 /nfs/dbraw/zinc/19/37/62/375193762.db2.gz SFYZRKAYSXHSGR-HZSPNIEDSA-N 2 2 283.416 0.459 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000638612626 375196339 /nfs/dbraw/zinc/19/63/39/375196339.db2.gz WDMZLOQGILOROK-DZGCQCFKSA-N 2 2 289.379 0.668 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000638612626 375196347 /nfs/dbraw/zinc/19/63/47/375196347.db2.gz WDMZLOQGILOROK-DZGCQCFKSA-N 2 2 289.379 0.668 20 0 CCADLP CC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000638731727 375325756 /nfs/dbraw/zinc/32/57/56/375325756.db2.gz QQFDNECMCFWXPT-KGLIPLIRSA-N 2 2 292.383 0.136 20 0 CCADLP CC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000638731727 375325761 /nfs/dbraw/zinc/32/57/61/375325761.db2.gz QQFDNECMCFWXPT-KGLIPLIRSA-N 2 2 292.383 0.136 20 0 CCADLP C[C@H]([NH3+])CC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000638728936 375323886 /nfs/dbraw/zinc/32/38/86/375323886.db2.gz NINGMIPDVXFRSV-JSGCOSHPSA-N 2 2 292.383 0.136 20 0 CCADLP C[C@H]([NH3+])CC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000638728936 375323910 /nfs/dbraw/zinc/32/39/10/375323910.db2.gz NINGMIPDVXFRSV-JSGCOSHPSA-N 2 2 292.383 0.136 20 0 CCADLP O=C(Cc1cn2ccccc2[nH+]1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638923300 375458904 /nfs/dbraw/zinc/45/89/04/375458904.db2.gz CMJOQRXPUIIWIP-TXEJJXNPSA-N 2 2 270.336 0.840 20 0 CCADLP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c[nH+]c(N)nc1N ZINC000638925846 375461736 /nfs/dbraw/zinc/46/17/36/375461736.db2.gz XNZDLEIIZZPJKC-NEPJUHHUSA-N 2 2 276.388 0.360 20 0 CCADLP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1c[nH+]c(N)nc1N ZINC000638925846 375461741 /nfs/dbraw/zinc/46/17/41/375461741.db2.gz XNZDLEIIZZPJKC-NEPJUHHUSA-N 2 2 276.388 0.360 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1C[C@@H]([NH3+])C[C@H]1C)CC2 ZINC000638929579 375465815 /nfs/dbraw/zinc/46/58/15/375465815.db2.gz GUUAQYHCRMHXNK-UTUOFQBUSA-N 2 2 262.357 0.702 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC[C@H]1CNc2ccccc21 ZINC000638872193 375417755 /nfs/dbraw/zinc/41/77/55/375417755.db2.gz GFYBDYLTWFHATE-GXTWGEPZSA-N 2 2 290.411 0.981 20 0 CCADLP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638915496 375451814 /nfs/dbraw/zinc/45/18/14/375451814.db2.gz NHDMKOJJMSIYGJ-JQWIXIFHSA-N 2 2 269.308 0.454 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1noc2c1CCCC2 ZINC000639034040 375538221 /nfs/dbraw/zinc/53/82/21/375538221.db2.gz XXMHRGOHKMMQRO-LLVKDONJSA-N 2 2 280.372 0.449 20 0 CCADLP [NH3+]C[C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC000638948383 375481132 /nfs/dbraw/zinc/48/11/32/375481132.db2.gz MYGGEWCUWRLYJN-HAQNSBGRSA-N 2 2 250.346 0.907 20 0 CCADLP CC(C)([NH3+])CC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639004634 375514509 /nfs/dbraw/zinc/51/45/09/375514509.db2.gz PZFYILSNIRRDAM-UHFFFAOYSA-N 2 2 291.399 0.291 20 0 CCADLP COc1ncc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)s1 ZINC000639049590 375547568 /nfs/dbraw/zinc/54/75/68/375547568.db2.gz VMYYBNXERZDILR-LLVKDONJSA-N 2 2 257.359 0.308 20 0 CCADLP COc1ncc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)s1 ZINC000639049590 375547572 /nfs/dbraw/zinc/54/75/72/375547572.db2.gz VMYYBNXERZDILR-LLVKDONJSA-N 2 2 257.359 0.308 20 0 CCADLP C[C@H]1CN(CC(C)(C)[NH+]2CCOCC2)CC[N@@H+]1CCO ZINC000639094280 375572038 /nfs/dbraw/zinc/57/20/38/375572038.db2.gz REMGAQRDKAAEDV-AWEZNQCLSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H]1CN(CC(C)(C)[NH+]2CCOCC2)CC[N@H+]1CCO ZINC000639094280 375572048 /nfs/dbraw/zinc/57/20/48/375572048.db2.gz REMGAQRDKAAEDV-AWEZNQCLSA-N 2 2 285.432 0.096 20 0 CCADLP COCCN(CC[NH+](C)C)Cc1cc2c(c[nH+]1)OCCO2 ZINC000639171884 375617469 /nfs/dbraw/zinc/61/74/69/375617469.db2.gz FOGLBHKPUNBOFY-UHFFFAOYSA-N 2 2 295.383 0.863 20 0 CCADLP O=C1C[C@H]([NH2+][C@@H]2CCC[N@@H+](CCCO)C2)CCCN1 ZINC000639216920 375638347 /nfs/dbraw/zinc/63/83/47/375638347.db2.gz ADWLDWNWRSTBEO-CHWSQXEVSA-N 2 2 269.389 0.092 20 0 CCADLP O=C1C[C@H]([NH2+][C@@H]2CCC[N@H+](CCCO)C2)CCCN1 ZINC000639216920 375638350 /nfs/dbraw/zinc/63/83/50/375638350.db2.gz ADWLDWNWRSTBEO-CHWSQXEVSA-N 2 2 269.389 0.092 20 0 CCADLP CN(CC[NH+]1CCCCC1)Cc1c[nH+]c(N)nc1N ZINC000639298419 375709346 /nfs/dbraw/zinc/70/93/46/375709346.db2.gz ZUUWRVHGRLGGBC-UHFFFAOYSA-N 2 2 264.377 0.219 20 0 CCADLP O=c1cc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc[nH]1 ZINC000639496151 375810101 /nfs/dbraw/zinc/81/01/01/375810101.db2.gz CKVNPMCVLPAMMQ-CQSZACIVSA-N 2 2 277.368 0.941 20 0 CCADLP O=c1cc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc[nH]1 ZINC000639496151 375810107 /nfs/dbraw/zinc/81/01/07/375810107.db2.gz CKVNPMCVLPAMMQ-CQSZACIVSA-N 2 2 277.368 0.941 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCC(CC(N)=O)CC1 ZINC000639452827 375787702 /nfs/dbraw/zinc/78/77/02/375787702.db2.gz GMGXRVSOYSLGRB-UHFFFAOYSA-N 2 2 250.346 0.550 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000639452331 375788092 /nfs/dbraw/zinc/78/80/92/375788092.db2.gz QMIGAGCGRWAKAL-UHFFFAOYSA-N 2 2 276.384 0.953 20 0 CCADLP COCCOC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000656702233 412843774 /nfs/dbraw/zinc/84/37/74/412843774.db2.gz MUFKDFZNOVLEBM-CHWSQXEVSA-N 2 2 274.405 0.473 20 0 CCADLP COCCOC[C@H](O)C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000656702233 412843776 /nfs/dbraw/zinc/84/37/76/412843776.db2.gz MUFKDFZNOVLEBM-CHWSQXEVSA-N 2 2 274.405 0.473 20 0 CCADLP C[C@@H]1OCC[C@@H]1[N@H+](CCO)CCc1c[nH+]cn1C ZINC000639619564 375865343 /nfs/dbraw/zinc/86/53/43/375865343.db2.gz FZJRDUOKOBFDOS-AAEUAGOBSA-N 2 2 253.346 0.434 20 0 CCADLP C[C@@H]1OCC[C@@H]1[N@@H+](CCO)CCc1c[nH+]cn1C ZINC000639619564 375865345 /nfs/dbraw/zinc/86/53/45/375865345.db2.gz FZJRDUOKOBFDOS-AAEUAGOBSA-N 2 2 253.346 0.434 20 0 CCADLP COC[C@@H]1C[N@H+](CCc2c[nH+]cn2C)C[C@@H](C)O1 ZINC000639603932 375854658 /nfs/dbraw/zinc/85/46/58/375854658.db2.gz IAJHZMJSEFTEHP-YPMHNXCESA-N 2 2 253.346 0.698 20 0 CCADLP COC[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)C[C@@H](C)O1 ZINC000639603932 375854665 /nfs/dbraw/zinc/85/46/65/375854665.db2.gz IAJHZMJSEFTEHP-YPMHNXCESA-N 2 2 253.346 0.698 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)N=c1ccn(CC[NH+](C)C)[nH]1 ZINC000639720255 375946463 /nfs/dbraw/zinc/94/64/63/375946463.db2.gz AEBYIZYTVSFKHS-UHFFFAOYSA-N 2 2 291.359 0.254 20 0 CCADLP C[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639763017 375990003 /nfs/dbraw/zinc/99/00/03/375990003.db2.gz BTPHBKGZJHGSOC-GOEBONIOSA-N 2 2 297.443 0.776 20 0 CCADLP C[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639763017 375990007 /nfs/dbraw/zinc/99/00/07/375990007.db2.gz BTPHBKGZJHGSOC-GOEBONIOSA-N 2 2 297.443 0.776 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2c[nH]nc2C)CC1 ZINC000639969561 376160685 /nfs/dbraw/zinc/16/06/85/376160685.db2.gz ZOYGDQKSMSUCJU-UHFFFAOYSA-N 2 2 293.415 0.750 20 0 CCADLP Cc1cc(C)n(CC[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)n1 ZINC000640057737 376220722 /nfs/dbraw/zinc/22/07/22/376220722.db2.gz ADHWAMTUIBJVIV-UHFFFAOYSA-N 2 2 293.415 0.206 20 0 CCADLP Cc1cc(C)n(CC[N@H+](C)CC(=O)N2CC[NH+](C)CC2)n1 ZINC000640057737 376220726 /nfs/dbraw/zinc/22/07/26/376220726.db2.gz ADHWAMTUIBJVIV-UHFFFAOYSA-N 2 2 293.415 0.206 20 0 CCADLP Cc1nc(C)c(C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)s1 ZINC000640059644 376221984 /nfs/dbraw/zinc/22/19/84/376221984.db2.gz UTVMRLIGBNPPHU-UHFFFAOYSA-N 2 2 296.440 0.966 20 0 CCADLP Cc1nc(C)c(C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)s1 ZINC000640059644 376221989 /nfs/dbraw/zinc/22/19/89/376221989.db2.gz UTVMRLIGBNPPHU-UHFFFAOYSA-N 2 2 296.440 0.966 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000640320894 376309926 /nfs/dbraw/zinc/30/99/26/376309926.db2.gz XQMPGBGOYBFHMV-YNEHKIRRSA-N 2 2 292.383 0.097 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000264134919 190092707 /nfs/dbraw/zinc/09/27/07/190092707.db2.gz IISSTNQVBJCVGV-NWDGAFQWSA-N 2 2 277.372 0.846 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000264134919 190092708 /nfs/dbraw/zinc/09/27/08/190092708.db2.gz IISSTNQVBJCVGV-NWDGAFQWSA-N 2 2 277.372 0.846 20 0 CCADLP Cc1[nH+]ccn1CCn1cc(C[N@@H+]2CCC[C@H]2CO)nn1 ZINC000640985913 376648308 /nfs/dbraw/zinc/64/83/08/376648308.db2.gz OLBKFZWBKGYQIC-AWEZNQCLSA-N 2 2 290.371 0.440 20 0 CCADLP Cc1[nH+]ccn1CCn1cc(C[N@H+]2CCC[C@H]2CO)nn1 ZINC000640985913 376648313 /nfs/dbraw/zinc/64/83/13/376648313.db2.gz OLBKFZWBKGYQIC-AWEZNQCLSA-N 2 2 290.371 0.440 20 0 CCADLP Cn1c[nH+]c(Cn2cc(C[C@@H]3CCC[NH2+]C3)nn2)c1 ZINC000641053872 376721405 /nfs/dbraw/zinc/72/14/05/376721405.db2.gz PSYUZYGKUDKIQB-NSHDSACASA-N 2 2 260.345 0.602 20 0 CCADLP COc1cc[nH+]c(Cn2cc(CN(C)CCC[NH3+])nn2)c1 ZINC000641031020 376687315 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190134008 /nfs/dbraw/zinc/13/40/08/190134008.db2.gz AZVXSNNYCHGNII-UHFFFAOYSA-N 2 2 251.334 0.314 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)NCC[NH+]1CCSCC1 ZINC000264862805 190139779 /nfs/dbraw/zinc/13/97/79/190139779.db2.gz NVTFQCPFMNYSTH-UHFFFAOYSA-N 2 2 297.428 0.621 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641616751 377321892 /nfs/dbraw/zinc/32/18/92/377321892.db2.gz SICQUSQILGYDIQ-GFCCVEGCSA-N 2 2 286.401 0.287 20 0 CCADLP CCC[N@H+]1CC[C@@H](NS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641616751 377321899 /nfs/dbraw/zinc/32/18/99/377321899.db2.gz SICQUSQILGYDIQ-GFCCVEGCSA-N 2 2 286.401 0.287 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCN2C(=O)CCC2=O)[C@@H]1C ZINC000641805240 377477187 /nfs/dbraw/zinc/47/71/87/377477187.db2.gz FADRDKGOLXVXBZ-IJLUTSLNSA-N 2 2 267.373 0.583 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCN2C(=O)CCC2=O)[C@@H]1C ZINC000641805240 377477192 /nfs/dbraw/zinc/47/71/92/377477192.db2.gz FADRDKGOLXVXBZ-IJLUTSLNSA-N 2 2 267.373 0.583 20 0 CCADLP COC[C@](C)([NH3+])CNc1ncnc2c1C[N@H+](C)CC2 ZINC000265090124 190156985 /nfs/dbraw/zinc/15/69/85/190156985.db2.gz AYDRPQHBURWVKH-CYBMUJFWSA-N 2 2 265.361 0.240 20 0 CCADLP COC[C@](C)([NH3+])CNc1ncnc2c1C[N@@H+](C)CC2 ZINC000265090124 190156986 /nfs/dbraw/zinc/15/69/86/190156986.db2.gz AYDRPQHBURWVKH-CYBMUJFWSA-N 2 2 265.361 0.240 20 0 CCADLP C[C@H](O)C[NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1c[nH+]cn1C ZINC000569353411 291671868 /nfs/dbraw/zinc/67/18/68/291671868.db2.gz PDYYLJZUCOAAAQ-JVLSTEMRSA-N 2 2 292.383 0.585 20 0 CCADLP CC[C@](COC)([NH2+]CCCn1cc[nH+]c1)C(=O)OC ZINC000459556090 249042534 /nfs/dbraw/zinc/04/25/34/249042534.db2.gz JACUFYREBGVTFI-CYBMUJFWSA-N 2 2 269.345 0.831 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)CCc1nccs1 ZINC000515032781 249117301 /nfs/dbraw/zinc/11/73/01/249117301.db2.gz SBYXZQROTGCPTN-NSHDSACASA-N 2 2 257.403 0.930 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCc1nccs1 ZINC000515032781 249117303 /nfs/dbraw/zinc/11/73/03/249117303.db2.gz SBYXZQROTGCPTN-NSHDSACASA-N 2 2 257.403 0.930 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)CCc1nccs1 ZINC000515032781 249117306 /nfs/dbraw/zinc/11/73/06/249117306.db2.gz SBYXZQROTGCPTN-NSHDSACASA-N 2 2 257.403 0.930 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCc1nccs1 ZINC000515032781 249117308 /nfs/dbraw/zinc/11/73/08/249117308.db2.gz SBYXZQROTGCPTN-NSHDSACASA-N 2 2 257.403 0.930 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@H](CO)[C@H]2CCCOC2)n1C ZINC000514598436 249092261 /nfs/dbraw/zinc/09/22/61/249092261.db2.gz UISCILGLUHYZDA-WCQYABFASA-N 2 2 282.388 0.363 20 0 CCADLP CS(=O)(=O)N1CC[C@@H]([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000514608425 249093525 /nfs/dbraw/zinc/09/35/25/249093525.db2.gz BGENYKBCASRKHS-LLVKDONJSA-N 2 2 294.380 0.458 20 0 CCADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCC[NH3+])CC1 ZINC000516297944 249159495 /nfs/dbraw/zinc/15/94/95/249159495.db2.gz UMTOGJSPFYZMIA-GJZGRUSLSA-N 3 2 268.449 0.826 20 0 CCADLP C[C@@H](c1nnnn1C)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000516927887 249189486 /nfs/dbraw/zinc/18/94/86/249189486.db2.gz RLHPFGNFJQUSQD-JTQLQIEISA-N 2 2 268.365 0.101 20 0 CCADLP O[C@H]1CCCC[C@@H]1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000517122846 249204111 /nfs/dbraw/zinc/20/41/11/249204111.db2.gz LCJKLNMOOBDRAP-BARDWOONSA-N 2 2 268.401 0.894 20 0 CCADLP COCC(C)(C)[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CC(C)C2)CC1 ZINC000518215133 249242795 /nfs/dbraw/zinc/24/27/95/249242795.db2.gz MTRZMDANVZIDSZ-CQSZACIVSA-N 2 2 297.443 0.896 20 0 CCADLP Cn1ncc2c1nc(NCC1(C)CC[NH2+]CC1)[nH+]c2N ZINC000643024911 377694922 /nfs/dbraw/zinc/69/49/22/377694922.db2.gz WYJUTHMOIIMDEA-UHFFFAOYSA-N 2 2 275.360 0.169 20 0 CCADLP CC[N@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC000278944152 194223092 /nfs/dbraw/zinc/22/30/92/194223092.db2.gz UWXMKZCTSQTSFB-UHFFFAOYSA-N 2 2 250.346 0.861 20 0 CCADLP CC[N@@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC000278944152 194223094 /nfs/dbraw/zinc/22/30/94/194223094.db2.gz UWXMKZCTSQTSFB-UHFFFAOYSA-N 2 2 250.346 0.861 20 0 CCADLP CC[N@H+](CCNC(=O)Cc1[nH+]c[nH]c1C)C1CC1 ZINC000278944152 194223096 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CC[NH+]1CCC([N@H+](C)CC(=O)NC[C@H]2CCCO2)CC1 ZINC000362189037 535457508 /nfs/dbraw/zinc/45/75/08/535457508.db2.gz UZQRIXXFPVEAFM-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+]1CCC([N@@H+](C)CC(=O)NC[C@H]2CCCO2)CC1 ZINC000362189037 535457509 /nfs/dbraw/zinc/45/75/09/535457509.db2.gz UZQRIXXFPVEAFM-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+](C)C[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC000268223517 190387390 /nfs/dbraw/zinc/38/73/90/190387390.db2.gz XBBXDVHYXLKZLF-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2CCCOC2)C[C@@H](C)O1 ZINC000570325489 291748488 /nfs/dbraw/zinc/74/84/88/291748488.db2.gz MVRBHBIEAGSKHO-AAVRWANBSA-N 2 2 272.389 0.225 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000334743634 207000141 /nfs/dbraw/zinc/00/01/41/207000141.db2.gz NCIZNWKLKPJBEQ-ZDUSSCGKSA-N 2 2 264.373 0.990 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000334743634 207000144 /nfs/dbraw/zinc/00/01/44/207000144.db2.gz NCIZNWKLKPJBEQ-ZDUSSCGKSA-N 2 2 264.373 0.990 20 0 CCADLP CC(=O)N1CCN(CC[NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657309225 412957476 /nfs/dbraw/zinc/95/74/76/412957476.db2.gz CBQZKBXVRHMGHU-UHFFFAOYSA-N 2 2 291.399 0.083 20 0 CCADLP COCCN(CC[NH+](C)C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000362161560 284981309 /nfs/dbraw/zinc/98/13/09/284981309.db2.gz NAXWYVDLGATWET-CYBMUJFWSA-N 2 2 294.399 0.482 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(O)CC1 ZINC000428214629 285037774 /nfs/dbraw/zinc/03/77/74/285037774.db2.gz DWEQZMVDDDSBJH-MOKVOYLWSA-N 2 2 256.390 0.990 20 0 CCADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C1CCC(O)CC1 ZINC000428214629 285037777 /nfs/dbraw/zinc/03/77/77/285037777.db2.gz DWEQZMVDDDSBJH-MOKVOYLWSA-N 2 2 256.390 0.990 20 0 CCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C1 ZINC000423486804 285056411 /nfs/dbraw/zinc/05/64/11/285056411.db2.gz SUUNGOCUGWNMIL-UONOGXRCSA-N 3 2 255.406 0.829 20 0 CCADLP COCC[N@H+]1CC[C@@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C1 ZINC000423486804 285056413 /nfs/dbraw/zinc/05/64/13/285056413.db2.gz SUUNGOCUGWNMIL-UONOGXRCSA-N 3 2 255.406 0.829 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2=O)n1C ZINC000657371247 412974920 /nfs/dbraw/zinc/97/49/20/412974920.db2.gz OYQFOSFXZAWTOO-SNVBAGLBSA-N 2 2 290.289 0.981 20 0 CCADLP C[C@@H](C[NH2+]Cc1cc2n(n1)CCC2)C[NH+]1CCOCC1 ZINC000657369775 412975954 /nfs/dbraw/zinc/97/59/54/412975954.db2.gz FFAGMIKFKVHSEI-ZDUSSCGKSA-N 2 2 278.400 0.887 20 0 CCADLP Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000657414559 412985449 /nfs/dbraw/zinc/98/54/49/412985449.db2.gz BIVCUDAISVXZAB-NSHDSACASA-N 2 2 294.321 0.841 20 0 CCADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CC[C@@H](C(=O)N(C)C)O2)n1C ZINC000657426498 412988759 /nfs/dbraw/zinc/98/87/59/412988759.db2.gz GJFGNUAEZCRDTE-STQMWFEESA-N 2 2 280.372 0.454 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000418216193 533076084 /nfs/dbraw/zinc/07/60/84/533076084.db2.gz NWIAUUOSGCEERS-GHMZBOCLSA-N 2 2 278.356 0.982 20 0 CCADLP COCC(C)(C)[NH+]1CCN(CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000425500877 533095810 /nfs/dbraw/zinc/09/58/10/533095810.db2.gz CTODGOAKGIZNDV-HNNXBMFYSA-N 2 2 299.459 0.750 20 0 CCADLP COCC(C)(C)[NH+]1CCN(CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000425500877 533095814 /nfs/dbraw/zinc/09/58/14/533095814.db2.gz CTODGOAKGIZNDV-HNNXBMFYSA-N 2 2 299.459 0.750 20 0 CCADLP COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657440039 412994292 /nfs/dbraw/zinc/99/42/92/412994292.db2.gz LFTCAUQIXDPPLI-ZIAGYGMSSA-N 2 2 295.383 0.739 20 0 CCADLP CC(C)(CNC(=O)CC[C@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000261677040 285156148 /nfs/dbraw/zinc/15/61/48/285156148.db2.gz GLFKMGIUNSPHCK-CYBMUJFWSA-N 2 2 283.416 0.746 20 0 CCADLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2ccc(CO)o2)CC1 ZINC000304362208 285167547 /nfs/dbraw/zinc/16/75/47/285167547.db2.gz XZNHCMQUHYMTLO-CYBMUJFWSA-N 2 2 282.384 0.954 20 0 CCADLP [NH3+]CC[C@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)C(F)(F)F ZINC000572525743 291885801 /nfs/dbraw/zinc/88/58/01/291885801.db2.gz RMPNCXNQUSJPCW-RITPCOANSA-N 2 2 275.221 0.380 20 0 CCADLP CNC(=O)[C@]1(C)CC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000281193859 195143370 /nfs/dbraw/zinc/14/33/70/195143370.db2.gz RNLDCGZEJACQHY-CYBMUJFWSA-N 2 2 250.346 0.650 20 0 CCADLP CNC(=O)[C@]1(C)CC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000281193859 195143372 /nfs/dbraw/zinc/14/33/72/195143372.db2.gz RNLDCGZEJACQHY-CYBMUJFWSA-N 2 2 250.346 0.650 20 0 CCADLP CC[N@@H+]1CCN(C(=O)CCn2cc[nH+]c2)[C@@H](C)C1 ZINC000288328277 197052427 /nfs/dbraw/zinc/05/24/27/197052427.db2.gz IDZHMWMUTFSJBD-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP CC[N@H+]1CCN(C(=O)CCn2cc[nH+]c2)[C@@H](C)C1 ZINC000288328277 197052428 /nfs/dbraw/zinc/05/24/28/197052428.db2.gz IDZHMWMUTFSJBD-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)N(C)Cc1[nH+]ccn1C ZINC000288156811 197015938 /nfs/dbraw/zinc/01/59/38/197015938.db2.gz ZYFCFNDGOVNPSP-JTQLQIEISA-N 2 2 253.350 0.512 20 0 CCADLP C[C@@H]1C[C@H](C)[N@H+](Cc2nc(N)nc(N(C)C)n2)C[C@@H]1C[NH3+] ZINC000397322331 285236392 /nfs/dbraw/zinc/23/63/92/285236392.db2.gz TXLAEVGUSQVQFT-VWYCJHECSA-N 2 2 293.419 0.155 20 0 CCADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2nc(N)nc(N(C)C)n2)C[C@@H]1C[NH3+] ZINC000397322331 285236394 /nfs/dbraw/zinc/23/63/94/285236394.db2.gz TXLAEVGUSQVQFT-VWYCJHECSA-N 2 2 293.419 0.155 20 0 CCADLP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H]2CN(C)C(=O)O2)C1 ZINC000496160798 285264811 /nfs/dbraw/zinc/26/48/11/285264811.db2.gz WEVBOIROUQAZPZ-VXGBXAGGSA-N 2 2 255.362 0.711 20 0 CCADLP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CN(C)C(=O)O2)C1 ZINC000496160798 285264812 /nfs/dbraw/zinc/26/48/12/285264812.db2.gz WEVBOIROUQAZPZ-VXGBXAGGSA-N 2 2 255.362 0.711 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CN(C)C(=O)O2)C1 ZINC000496160798 285264814 /nfs/dbraw/zinc/26/48/14/285264814.db2.gz WEVBOIROUQAZPZ-VXGBXAGGSA-N 2 2 255.362 0.711 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CN(C)C(=O)O2)C1 ZINC000496160798 285264816 /nfs/dbraw/zinc/26/48/16/285264816.db2.gz WEVBOIROUQAZPZ-VXGBXAGGSA-N 2 2 255.362 0.711 20 0 CCADLP [NH3+][C@H](C(=O)NCCC[C@H]1CCC[NH2+]1)c1cscn1 ZINC000521861889 285290822 /nfs/dbraw/zinc/29/08/22/285290822.db2.gz YHVXAEZBEWMHRB-KOLCDFICSA-N 2 2 268.386 0.791 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](C[NH2+]C)C2)CC1 ZINC000430606183 285304857 /nfs/dbraw/zinc/30/48/57/285304857.db2.gz UVIPULQEVKDXAX-GJZGRUSLSA-N 3 2 296.459 0.470 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](C[NH2+]C)C2)CC1 ZINC000430606183 285304858 /nfs/dbraw/zinc/30/48/58/285304858.db2.gz UVIPULQEVKDXAX-GJZGRUSLSA-N 3 2 296.459 0.470 20 0 CCADLP CN(CC1([NH+](C)C)CCC1)C(=O)NCC[NH+]1CCOCC1 ZINC000187818276 388897620 /nfs/dbraw/zinc/89/76/20/388897620.db2.gz YEZZMKAAKCTZAZ-UHFFFAOYSA-N 2 2 298.431 0.444 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1c[nH+]cn1C ZINC000290802263 388913038 /nfs/dbraw/zinc/91/30/38/388913038.db2.gz UWCJDVPBAKDXLW-MFKMUULPSA-N 2 2 277.372 0.702 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1c[nH+]cn1C ZINC000290802263 388913042 /nfs/dbraw/zinc/91/30/42/388913042.db2.gz UWCJDVPBAKDXLW-MFKMUULPSA-N 2 2 277.372 0.702 20 0 CCADLP COCC[N@H+](C)CCNC(=O)NCc1c[nH+]ccc1OC ZINC000292790182 388958051 /nfs/dbraw/zinc/95/80/51/388958051.db2.gz USOFAWBYECQIOR-UHFFFAOYSA-N 2 2 296.371 0.468 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)NCc1c[nH+]ccc1OC ZINC000292790182 388958052 /nfs/dbraw/zinc/95/80/52/388958052.db2.gz USOFAWBYECQIOR-UHFFFAOYSA-N 2 2 296.371 0.468 20 0 CCADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCc1c[nH+]cn1C ZINC000292244152 388946371 /nfs/dbraw/zinc/94/63/71/388946371.db2.gz GQWTVXXNPXZGCZ-LBPRGKRZSA-N 2 2 279.388 0.903 20 0 CCADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCc1c[nH+]cn1C ZINC000292244152 388946375 /nfs/dbraw/zinc/94/63/75/388946375.db2.gz GQWTVXXNPXZGCZ-LBPRGKRZSA-N 2 2 279.388 0.903 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)NCCn1cc[nH+]c1)C2 ZINC000073499049 388976410 /nfs/dbraw/zinc/97/64/10/388976410.db2.gz SOLUHOFBLFTOEV-QWHCGFSZSA-N 2 2 277.372 0.761 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)NCCn1cc[nH+]c1)C2 ZINC000073499049 388976414 /nfs/dbraw/zinc/97/64/14/388976414.db2.gz SOLUHOFBLFTOEV-QWHCGFSZSA-N 2 2 277.372 0.761 20 0 CCADLP C[C@H]1C[N@@H+](C2CC[NH+](C[C@H]3COCCO3)CC2)CCO1 ZINC000336823201 389024760 /nfs/dbraw/zinc/02/47/60/389024760.db2.gz OOHCFLNUMPJUAG-ZFWWWQNUSA-N 2 2 284.400 0.587 20 0 CCADLP C[C@H]1C[N@H+](C2CC[NH+](C[C@H]3COCCO3)CC2)CCO1 ZINC000336823201 389024761 /nfs/dbraw/zinc/02/47/61/389024761.db2.gz OOHCFLNUMPJUAG-ZFWWWQNUSA-N 2 2 284.400 0.587 20 0 CCADLP Cc1cc(N2CC[C@@H](C[NH+]3CCOCC3)C2)nc[nH+]1 ZINC000301428819 389052717 /nfs/dbraw/zinc/05/27/17/389052717.db2.gz FILYHURVUZMOMD-ZDUSSCGKSA-N 2 2 262.357 0.944 20 0 CCADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1CC[NH+]1CCOC[C@@H]1C ZINC000192813351 389054920 /nfs/dbraw/zinc/05/49/20/389054920.db2.gz TWPSUKFFIAAPLY-GJZGRUSLSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1CC[NH+]1CCOC[C@@H]1C ZINC000192813351 389054923 /nfs/dbraw/zinc/05/49/23/389054923.db2.gz TWPSUKFFIAAPLY-GJZGRUSLSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@H]1C[NH+](CC(C)(C)O)CCN1CC[N@@H+]1CCOC[C@@H]1C ZINC000192813351 389054925 /nfs/dbraw/zinc/05/49/25/389054925.db2.gz TWPSUKFFIAAPLY-GJZGRUSLSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@H]1C[NH+](CC(C)(C)O)CCN1CC[N@H+]1CCOC[C@@H]1C ZINC000192813351 389054927 /nfs/dbraw/zinc/05/49/27/389054927.db2.gz TWPSUKFFIAAPLY-GJZGRUSLSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCOCC2)[C@@H](C)C[N@@H+]1C ZINC000338171744 389083526 /nfs/dbraw/zinc/08/35/26/389083526.db2.gz CCOQPPJTXSRQPK-OLZOCXBDSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCOCC2)[C@@H](C)C[N@H+]1C ZINC000338171744 389083528 /nfs/dbraw/zinc/08/35/28/389083528.db2.gz CCOQPPJTXSRQPK-OLZOCXBDSA-N 2 2 283.416 0.648 20 0 CCADLP CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCOCC1)C1CC1 ZINC000338172758 389084267 /nfs/dbraw/zinc/08/42/67/389084267.db2.gz YUBSIFFGUWGSSD-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP CC[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCOCC1)C1CC1 ZINC000338172758 389084269 /nfs/dbraw/zinc/08/42/69/389084269.db2.gz YUBSIFFGUWGSSD-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP O=C(NCCn1cc[nH+]c1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298670816 389038756 /nfs/dbraw/zinc/03/87/56/389038756.db2.gz VLIZPIUPOTVIKD-STQMWFEESA-N 2 2 277.372 0.809 20 0 CCADLP O=C(NCCn1cc[nH+]c1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000298670816 389038759 /nfs/dbraw/zinc/03/87/59/389038759.db2.gz VLIZPIUPOTVIKD-STQMWFEESA-N 2 2 277.372 0.809 20 0 CCADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000358235476 389145011 /nfs/dbraw/zinc/14/50/11/389145011.db2.gz IJDHZTCEEKBMNP-ZZVYKPCYSA-N 2 2 265.401 0.973 20 0 CCADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000358235476 389145014 /nfs/dbraw/zinc/14/50/14/389145014.db2.gz IJDHZTCEEKBMNP-ZZVYKPCYSA-N 2 2 265.401 0.973 20 0 CCADLP C[C@H](NC(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000313342521 389113309 /nfs/dbraw/zinc/11/33/09/389113309.db2.gz GEOPBAAKYQLIJA-ZFWWWQNUSA-N 2 2 291.395 0.913 20 0 CCADLP C[C@H](NC(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000313342521 389113312 /nfs/dbraw/zinc/11/33/12/389113312.db2.gz GEOPBAAKYQLIJA-ZFWWWQNUSA-N 2 2 291.395 0.913 20 0 CCADLP CCSCC[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000355719507 389114704 /nfs/dbraw/zinc/11/47/04/389114704.db2.gz HLGKEVOCAUJNGG-LLVKDONJSA-N 2 2 259.419 0.669 20 0 CCADLP CCSCC[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000355719507 389114708 /nfs/dbraw/zinc/11/47/08/389114708.db2.gz HLGKEVOCAUJNGG-LLVKDONJSA-N 2 2 259.419 0.669 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](C2CC2)C(C)(C)CO)CC1 ZINC000339727180 389137623 /nfs/dbraw/zinc/13/76/23/389137623.db2.gz ZVWRTYPTPTTWPE-AWEZNQCLSA-N 2 2 283.416 0.147 20 0 CCADLP CNC(=O)CC[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129578297 389190304 /nfs/dbraw/zinc/19/03/04/389190304.db2.gz JRHKJHMBXSDMJF-NEPJUHHUSA-N 2 2 250.346 0.902 20 0 CCADLP CNC(=O)CC[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129578297 389190306 /nfs/dbraw/zinc/19/03/06/389190306.db2.gz JRHKJHMBXSDMJF-NEPJUHHUSA-N 2 2 250.346 0.902 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360563652 389199685 /nfs/dbraw/zinc/19/96/85/389199685.db2.gz PETPXBCNNYPTIZ-BXUZGUMPSA-N 2 2 282.388 0.295 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360563652 389199687 /nfs/dbraw/zinc/19/96/87/389199687.db2.gz PETPXBCNNYPTIZ-BXUZGUMPSA-N 2 2 282.388 0.295 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC000329154964 389151584 /nfs/dbraw/zinc/15/15/84/389151584.db2.gz AQVBQJOLBLGEHF-OCCSQVGLSA-N 2 2 292.383 0.664 20 0 CCADLP C[C@@H](C[NH2+][C@@H](C)Cn1cccn1)C[NH+]1CCOCC1 ZINC000122740048 389153346 /nfs/dbraw/zinc/15/33/46/389153346.db2.gz LTGRTIRACVRVIJ-KBPBESRZSA-N 2 2 266.389 0.830 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)[C@]1(C)CCCO1 ZINC000340240584 389154432 /nfs/dbraw/zinc/15/44/32/389154432.db2.gz SNJTYVMTOMFCGD-MJBXVCDLSA-N 2 2 255.406 0.779 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)[C@]1(C)CCCO1 ZINC000340240584 389154436 /nfs/dbraw/zinc/15/44/36/389154436.db2.gz SNJTYVMTOMFCGD-MJBXVCDLSA-N 2 2 255.406 0.779 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCC[C@@H]2CO)n1C ZINC000231290981 389160221 /nfs/dbraw/zinc/16/02/21/389160221.db2.gz IKRZTMOFJOUADC-ZYHUDNBSSA-N 2 2 252.362 0.737 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCN1C(=O)NC2(CCCC2)C1=O ZINC000359096918 389166915 /nfs/dbraw/zinc/16/69/15/389166915.db2.gz CLHONJDTAWCHIQ-NWDGAFQWSA-N 2 2 294.399 0.391 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCN1C(=O)NC2(CCCC2)C1=O ZINC000359096918 389166916 /nfs/dbraw/zinc/16/69/16/389166916.db2.gz CLHONJDTAWCHIQ-NWDGAFQWSA-N 2 2 294.399 0.391 20 0 CCADLP CC1CC[NH+](C[C@H]2CCC[N@H+](CC(=O)NC(N)=O)C2)CC1 ZINC000363379732 389246726 /nfs/dbraw/zinc/24/67/26/389246726.db2.gz WDBYLSXUSAQKLP-CYBMUJFWSA-N 2 2 296.415 0.625 20 0 CCADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC(=O)NC(N)=O)C2)CC1 ZINC000363379732 389246730 /nfs/dbraw/zinc/24/67/30/389246730.db2.gz WDBYLSXUSAQKLP-CYBMUJFWSA-N 2 2 296.415 0.625 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3nccc(N)n3)C2)CC1 ZINC000135059370 389252518 /nfs/dbraw/zinc/25/25/18/389252518.db2.gz CZVIEJLWCLLCEB-ZDUSSCGKSA-N 2 2 290.415 0.271 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3nccc(N)n3)C2)CC1 ZINC000135059370 389252520 /nfs/dbraw/zinc/25/25/20/389252520.db2.gz CZVIEJLWCLLCEB-ZDUSSCGKSA-N 2 2 290.415 0.271 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCOCC23CCC3)CC1 ZINC000135507153 389257697 /nfs/dbraw/zinc/25/76/97/389257697.db2.gz RQNIXMUVKJLODO-UHFFFAOYSA-N 2 2 295.427 0.842 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCOCC23CCC3)CC1 ZINC000135507153 389257700 /nfs/dbraw/zinc/25/77/00/389257700.db2.gz RQNIXMUVKJLODO-UHFFFAOYSA-N 2 2 295.427 0.842 20 0 CCADLP CC[C@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131183707 389209935 /nfs/dbraw/zinc/20/99/35/389209935.db2.gz JTIJTDRGMHUUCG-QWHCGFSZSA-N 2 2 269.389 0.171 20 0 CCADLP CC[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131183707 389209938 /nfs/dbraw/zinc/20/99/38/389209938.db2.gz JTIJTDRGMHUUCG-QWHCGFSZSA-N 2 2 269.389 0.171 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000245548893 389211808 /nfs/dbraw/zinc/21/18/08/389211808.db2.gz YYXKVBBFUABAQN-QWHCGFSZSA-N 2 2 253.390 0.738 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000245548893 389211810 /nfs/dbraw/zinc/21/18/10/389211810.db2.gz YYXKVBBFUABAQN-QWHCGFSZSA-N 2 2 253.390 0.738 20 0 CCADLP COc1c[nH+]ccc1N1CC[NH+]([C@H](C)C(=O)N(C)C)CC1 ZINC000361520262 389218037 /nfs/dbraw/zinc/21/80/37/389218037.db2.gz SWIUNVJUDHQGMV-GFCCVEGCSA-N 2 2 292.383 0.689 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[NH2+]CC2(F)F)[C@H](C)C[NH2+]1 ZINC000343429504 389265748 /nfs/dbraw/zinc/26/57/48/389265748.db2.gz CAFRMVXWXISKOU-BBBLOLIVSA-N 2 2 261.316 0.440 20 0 CCADLP CCN(CCC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)S(C)(=O)=O ZINC000343384052 389266025 /nfs/dbraw/zinc/26/60/25/389266025.db2.gz IUVBRXZZDZMLDN-NWDGAFQWSA-N 2 2 277.434 0.198 20 0 CCADLP CCN(CCC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)S(C)(=O)=O ZINC000343384052 389266027 /nfs/dbraw/zinc/26/60/27/389266027.db2.gz IUVBRXZZDZMLDN-NWDGAFQWSA-N 2 2 277.434 0.198 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000362697035 389239948 /nfs/dbraw/zinc/23/99/48/389239948.db2.gz HLAFBLCCYXNSED-UONOGXRCSA-N 2 2 281.400 0.309 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000362697035 389239951 /nfs/dbraw/zinc/23/99/51/389239951.db2.gz HLAFBLCCYXNSED-UONOGXRCSA-N 2 2 281.400 0.309 20 0 CCADLP Cc1c[nH+]ccc1N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000367163488 389325056 /nfs/dbraw/zinc/32/50/56/389325056.db2.gz COLIMBFOQFCMBQ-GFCCVEGCSA-N 2 2 278.356 0.012 20 0 CCADLP Cc1c[nH+]ccc1N1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000367163488 389325058 /nfs/dbraw/zinc/32/50/58/389325058.db2.gz COLIMBFOQFCMBQ-GFCCVEGCSA-N 2 2 278.356 0.012 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)[C@H]1CCCO1 ZINC000346548968 389331652 /nfs/dbraw/zinc/33/16/52/389331652.db2.gz FBQIZKBOOQXSHA-YNEHKIRRSA-N 2 2 269.389 0.483 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)[C@H]1CCCO1 ZINC000346548968 389331655 /nfs/dbraw/zinc/33/16/55/389331655.db2.gz FBQIZKBOOQXSHA-YNEHKIRRSA-N 2 2 269.389 0.483 20 0 CCADLP CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2CC(=O)N1CC[NH+](C)CC1 ZINC000367606417 389336732 /nfs/dbraw/zinc/33/67/32/389336732.db2.gz WOXLAZQHDNVQPD-XNHWPECASA-N 2 2 293.411 0.116 20 0 CCADLP CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2CC(=O)N1CC[NH+](C)CC1 ZINC000367606417 389336737 /nfs/dbraw/zinc/33/67/37/389336737.db2.gz WOXLAZQHDNVQPD-XNHWPECASA-N 2 2 293.411 0.116 20 0 CCADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)NCC(F)(F)F)C[C@@H]12 ZINC000261567929 389272198 /nfs/dbraw/zinc/27/21/98/389272198.db2.gz IWYAXORVDMIGLR-DJLDLDEBSA-N 2 2 265.279 0.334 20 0 CCADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)NCC(F)(F)F)C[C@@H]12 ZINC000261567929 389272200 /nfs/dbraw/zinc/27/22/00/389272200.db2.gz IWYAXORVDMIGLR-DJLDLDEBSA-N 2 2 265.279 0.334 20 0 CCADLP CC(C)CNC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261592145 389273193 /nfs/dbraw/zinc/27/31/93/389273193.db2.gz YISWFWLAAWOAQY-TZMCWYRMSA-N 2 2 253.390 0.833 20 0 CCADLP CC(C)CNC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261592145 389273196 /nfs/dbraw/zinc/27/31/96/389273196.db2.gz YISWFWLAAWOAQY-TZMCWYRMSA-N 2 2 253.390 0.833 20 0 CCADLP C[N@@H+](Cc1cc(=O)n2[nH]ccc2n1)C[C@H]1CCC[NH+](C)C1 ZINC000152360279 389288862 /nfs/dbraw/zinc/28/88/62/389288862.db2.gz NLRJXACCVMTASB-LBPRGKRZSA-N 2 2 289.383 0.796 20 0 CCADLP C[C@H]([C@H](C)NC(=O)C1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000345263511 389295377 /nfs/dbraw/zinc/29/53/77/389295377.db2.gz PQPCUGBPENLHMO-QWHCGFSZSA-N 2 2 283.416 0.554 20 0 CCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[NH+](C)C)CC2)CC1 ZINC000422022714 389390761 /nfs/dbraw/zinc/39/07/61/389390761.db2.gz PHTOSXSASDTYDM-UHFFFAOYSA-N 3 2 296.459 0.567 20 0 CCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[NH+](C)C)CC2)CC1 ZINC000422022714 389390764 /nfs/dbraw/zinc/39/07/64/389390764.db2.gz PHTOSXSASDTYDM-UHFFFAOYSA-N 3 2 296.459 0.567 20 0 CCADLP CO[C@H](C)CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369275614 389392047 /nfs/dbraw/zinc/39/20/47/389392047.db2.gz YCHICQKMIGKPRD-OLZOCXBDSA-N 2 2 283.416 0.696 20 0 CCADLP CO[C@H](C)CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369275614 389392050 /nfs/dbraw/zinc/39/20/50/389392050.db2.gz YCHICQKMIGKPRD-OLZOCXBDSA-N 2 2 283.416 0.696 20 0 CCADLP Cn1cc[nH+]c1CN(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000349048676 389401632 /nfs/dbraw/zinc/40/16/32/389401632.db2.gz ZVQLTNOMGOLUNT-ZDUSSCGKSA-N 2 2 266.389 0.963 20 0 CCADLP O=C(C[NH2+]C[C@H]1CCCO1)NCc1ccn2cc[nH+]c2c1 ZINC000269244444 389410245 /nfs/dbraw/zinc/41/02/45/389410245.db2.gz CUDUGPCOHNPBJX-CYBMUJFWSA-N 2 2 288.351 0.719 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000269271630 389411748 /nfs/dbraw/zinc/41/17/48/389411748.db2.gz SQOPFFHHNLCVSE-LBPRGKRZSA-N 2 2 258.325 0.904 20 0 CCADLP CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367725562 389352375 /nfs/dbraw/zinc/35/23/75/389352375.db2.gz LFJSRDPIBXRHFA-UPJWGTAASA-N 2 2 274.430 0.884 20 0 CCADLP CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000367725562 389352377 /nfs/dbraw/zinc/35/23/77/389352377.db2.gz LFJSRDPIBXRHFA-UPJWGTAASA-N 2 2 274.430 0.884 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCOC2CCC2)CC1 ZINC000367737947 389352890 /nfs/dbraw/zinc/35/28/90/389352890.db2.gz QGOUZPPHEWNNQM-OAHLLOKOSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCOC2CCC2)CC1 ZINC000367737947 389352895 /nfs/dbraw/zinc/35/28/95/389352895.db2.gz QGOUZPPHEWNNQM-OAHLLOKOSA-N 2 2 295.427 0.794 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC2(C(N)=O)CCCC2)C1 ZINC000347834490 389358976 /nfs/dbraw/zinc/35/89/76/389358976.db2.gz QIXNFPJLZOWFCV-VXGBXAGGSA-N 2 2 253.390 0.962 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC2(C(N)=O)CCCC2)C1 ZINC000347834490 389358982 /nfs/dbraw/zinc/35/89/82/389358982.db2.gz QIXNFPJLZOWFCV-VXGBXAGGSA-N 2 2 253.390 0.962 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1nccn1C ZINC000162194536 389415762 /nfs/dbraw/zinc/41/57/62/389415762.db2.gz DGDRBXINWXKCAH-UHFFFAOYSA-N 2 2 279.432 0.878 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1nccn1C ZINC000162194536 389415764 /nfs/dbraw/zinc/41/57/64/389415764.db2.gz DGDRBXINWXKCAH-UHFFFAOYSA-N 2 2 279.432 0.878 20 0 CCADLP CC[C@H]1CCC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000348143785 389366487 /nfs/dbraw/zinc/36/64/87/389366487.db2.gz AFGFDEUFRXQQOY-QWHCGFSZSA-N 2 2 253.390 0.929 20 0 CCADLP CC[C@H](NCCC[NH+]1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422732894 389461010 /nfs/dbraw/zinc/46/10/10/389461010.db2.gz PTENURRNKTWREO-KBPBESRZSA-N 2 2 255.406 0.829 20 0 CCADLP O=C(N[C@H]1CCC[NH2+]C1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000422732359 389461226 /nfs/dbraw/zinc/46/12/26/389461226.db2.gz PQWIEPGWBZHMDY-NSHDSACASA-N 2 2 271.324 0.749 20 0 CCADLP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000422728820 389461278 /nfs/dbraw/zinc/46/12/78/389461278.db2.gz JQGRFVYDTXWQJF-KGLIPLIRSA-N 2 2 281.400 0.356 20 0 CCADLP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000422728820 389461281 /nfs/dbraw/zinc/46/12/81/389461281.db2.gz JQGRFVYDTXWQJF-KGLIPLIRSA-N 2 2 281.400 0.356 20 0 CCADLP [NH3+]C[C@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000422770529 389471133 /nfs/dbraw/zinc/47/11/33/389471133.db2.gz QFIQGAAJXMRMIL-ZIAGYGMSSA-N 2 2 281.400 0.295 20 0 CCADLP [NH3+]C[C@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000422770529 389471136 /nfs/dbraw/zinc/47/11/36/389471136.db2.gz QFIQGAAJXMRMIL-ZIAGYGMSSA-N 2 2 281.400 0.295 20 0 CCADLP CCN(CC)S(=O)(=O)CC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422859886 389494122 /nfs/dbraw/zinc/49/41/22/389494122.db2.gz LFGPCNGQWJRLFW-NEPJUHHUSA-N 2 2 277.434 0.246 20 0 CCADLP C[C@@H](CC[NH3+])NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000349996894 389475378 /nfs/dbraw/zinc/47/53/78/389475378.db2.gz XJRGRXZHOZTLCT-ZDUSSCGKSA-N 2 2 291.395 0.986 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000422806467 389479404 /nfs/dbraw/zinc/47/94/04/389479404.db2.gz KWZAYZYQJVSSOS-KBPBESRZSA-N 2 2 283.416 0.555 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000422806467 389479408 /nfs/dbraw/zinc/47/94/08/389479408.db2.gz KWZAYZYQJVSSOS-KBPBESRZSA-N 2 2 283.416 0.555 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)n(C)n1 ZINC000422633870 389447867 /nfs/dbraw/zinc/44/78/67/389447867.db2.gz IXLBPKVGBNXFCZ-WXHSDQCUSA-N 2 2 293.415 0.972 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)n(C)n1 ZINC000422633870 389447871 /nfs/dbraw/zinc/44/78/71/389447871.db2.gz IXLBPKVGBNXFCZ-WXHSDQCUSA-N 2 2 293.415 0.972 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422854840 389493061 /nfs/dbraw/zinc/49/30/61/389493061.db2.gz DEKABTPFYSTYHJ-CHWSQXEVSA-N 2 2 298.431 0.077 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422854840 389493063 /nfs/dbraw/zinc/49/30/63/389493063.db2.gz DEKABTPFYSTYHJ-CHWSQXEVSA-N 2 2 298.431 0.077 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCN1CCOCC1(C)C ZINC000422704354 389455291 /nfs/dbraw/zinc/45/52/91/389455291.db2.gz KLOJXQCBJQXNCD-KBPBESRZSA-N 2 2 285.432 0.454 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@H](C)C[NH+](CC)CC ZINC000422719973 389459243 /nfs/dbraw/zinc/45/92/43/389459243.db2.gz RVMXLICVZBMJIG-FRRDWIJNSA-N 2 2 271.405 0.600 20 0 CCADLP CC(C)NS(=O)(=O)CC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422946902 389509391 /nfs/dbraw/zinc/50/93/91/389509391.db2.gz PRQIEVONHBEZRS-NEPJUHHUSA-N 2 2 277.434 0.434 20 0 CCADLP CCNC(=O)C(C)(C)C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422969378 389512326 /nfs/dbraw/zinc/51/23/26/389512326.db2.gz UHKHKPMTJQJNNM-NWDGAFQWSA-N 2 2 271.405 0.505 20 0 CCADLP COCC[NH2+]CC[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@H]1C ZINC000423343888 389569065 /nfs/dbraw/zinc/56/90/65/389569065.db2.gz WJHXREZOUBCTIO-FRRDWIJNSA-N 2 2 272.389 0.790 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CCNS(=O)(=O)CC)C1 ZINC000174215273 389516447 /nfs/dbraw/zinc/51/64/47/389516447.db2.gz YVCXRAYYXYQZNS-ZDUSSCGKSA-N 2 2 291.461 0.589 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCNS(=O)(=O)CC)C1 ZINC000174215273 389516451 /nfs/dbraw/zinc/51/64/51/389516451.db2.gz YVCXRAYYXYQZNS-ZDUSSCGKSA-N 2 2 291.461 0.589 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334981952 389516663 /nfs/dbraw/zinc/51/66/63/389516663.db2.gz VFWXTMMNJSRRFN-RISCZKNCSA-N 2 2 251.374 0.729 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334981952 389516665 /nfs/dbraw/zinc/51/66/65/389516665.db2.gz VFWXTMMNJSRRFN-RISCZKNCSA-N 2 2 251.374 0.729 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)CCc1c[nH+]cn1C ZINC000276652450 389522973 /nfs/dbraw/zinc/52/29/73/389522973.db2.gz ZGGYJVWBQOPJIH-NSHDSACASA-N 2 2 252.362 0.809 20 0 CCADLP CC[C@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)[C@@H]1CCC[NH2+]1 ZINC000423026712 389524232 /nfs/dbraw/zinc/52/42/32/389524232.db2.gz NQWPBUHCXQVMCD-ILXRZTDVSA-N 2 2 267.417 0.970 20 0 CCADLP COC(=O)[C@H]1CN(c2cc(C)cc[nH+]2)CC[N@H+](C)C1 ZINC000413501593 389524628 /nfs/dbraw/zinc/52/46/28/389524628.db2.gz PLHLWDOKMQWPBH-GFCCVEGCSA-N 2 2 263.341 0.931 20 0 CCADLP COC(=O)[C@H]1CN(c2cc(C)cc[nH+]2)CC[N@@H+](C)C1 ZINC000413501593 389524634 /nfs/dbraw/zinc/52/46/34/389524634.db2.gz PLHLWDOKMQWPBH-GFCCVEGCSA-N 2 2 263.341 0.931 20 0 CCADLP C[C@H]([NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000423109705 389535971 /nfs/dbraw/zinc/53/59/71/389535971.db2.gz SXOOMVUTJKVJDF-RNJOBUHISA-N 2 2 258.406 0.875 20 0 CCADLP CSCC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C(=O)N(C)C ZINC000423133750 389540955 /nfs/dbraw/zinc/54/09/55/389540955.db2.gz WGBWQEUYUORGHF-TUAOUCFPSA-N 2 2 273.446 0.926 20 0 CCADLP CCC[N@H+](CC)C[C@H](C)N[C@@H]1CC[NH2+][C@@H]1C(=O)OCC ZINC000423138342 389541797 /nfs/dbraw/zinc/54/17/97/389541797.db2.gz IWEWZOPDUMKBFX-MJBXVCDLSA-N 2 2 285.432 0.990 20 0 CCADLP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1CC[NH2+][C@@H]1C(=O)OCC ZINC000423138342 389541804 /nfs/dbraw/zinc/54/18/04/389541804.db2.gz IWEWZOPDUMKBFX-MJBXVCDLSA-N 2 2 285.432 0.990 20 0 CCADLP CC[C@@H](C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C)[NH+](C)C ZINC000413678381 389549091 /nfs/dbraw/zinc/54/90/91/389549091.db2.gz VBEKYQBZVAYTEF-OLZOCXBDSA-N 2 2 299.415 0.422 20 0 CCADLP CC[C@@H](C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C)[NH+](C)C ZINC000413678381 389549094 /nfs/dbraw/zinc/54/90/94/389549094.db2.gz VBEKYQBZVAYTEF-OLZOCXBDSA-N 2 2 299.415 0.422 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCCN2CC[NH2+]CC2)C[N@@H+]1C1CC1 ZINC000423176367 389549237 /nfs/dbraw/zinc/54/92/37/389549237.db2.gz GZROZXGHACSHSC-KBPBESRZSA-N 3 2 266.433 0.497 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCCN2CC[NH2+]CC2)C[N@H+]1C1CC1 ZINC000423176367 389549239 /nfs/dbraw/zinc/54/92/39/389549239.db2.gz GZROZXGHACSHSC-KBPBESRZSA-N 3 2 266.433 0.497 20 0 CCADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423188755 389550219 /nfs/dbraw/zinc/55/02/19/389550219.db2.gz QGTLGTBMOVISAY-NVXWUHKLSA-N 3 2 290.455 0.830 20 0 CCADLP CNC(=O)C[C@@H](C)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423232822 389555319 /nfs/dbraw/zinc/55/53/19/389555319.db2.gz NODHQPUOPMLWJQ-LLVKDONJSA-N 2 2 277.372 0.428 20 0 CCADLP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)N1CCOCC1 ZINC000374206478 389557953 /nfs/dbraw/zinc/55/79/53/389557953.db2.gz DXYKZPXPLBDLLL-UHFFFAOYSA-N 2 2 278.356 0.448 20 0 CCADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000423266621 389558627 /nfs/dbraw/zinc/55/86/27/389558627.db2.gz DPIRVFMZZUVWNX-GXFFZTMASA-N 2 2 285.413 0.968 20 0 CCADLP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)N1CCNC1=O ZINC000374209538 389559151 /nfs/dbraw/zinc/55/91/51/389559151.db2.gz CDHIEWTZBMYPNO-UHFFFAOYSA-N 2 2 277.328 0.141 20 0 CCADLP CCC[NH2+]CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423314810 389563271 /nfs/dbraw/zinc/56/32/71/389563271.db2.gz WOGSEXPMJKUGLG-BFHYXJOUSA-N 3 2 255.406 0.733 20 0 CCADLP CC[NH+]1CCN(CCC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422871067 389497342 /nfs/dbraw/zinc/49/73/42/389497342.db2.gz ZQQPUEJBSNMKOD-LSDHHAIUSA-N 3 2 268.449 0.602 20 0 CCADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000335811107 389610675 /nfs/dbraw/zinc/61/06/75/389610675.db2.gz VBRHHIKUFVNWPM-RYUDHWBXSA-N 2 2 287.354 0.832 20 0 CCADLP [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000424137896 389620132 /nfs/dbraw/zinc/62/01/32/389620132.db2.gz POSRXDUBYIMYCH-QJPTWQEYSA-N 2 2 295.408 0.585 20 0 CCADLP COC(=O)[C@@H]1CN(Cc2[nH+]cc(C)n2C)CC[N@H+](C)C1 ZINC000414494430 389620503 /nfs/dbraw/zinc/62/05/03/389620503.db2.gz VLBYSQMBJMLUDM-LBPRGKRZSA-N 2 2 280.372 0.265 20 0 CCADLP COC(=O)[C@@H]1CN(Cc2[nH+]cc(C)n2C)CC[N@@H+](C)C1 ZINC000414494430 389620508 /nfs/dbraw/zinc/62/05/08/389620508.db2.gz VLBYSQMBJMLUDM-LBPRGKRZSA-N 2 2 280.372 0.265 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424298565 389623113 /nfs/dbraw/zinc/62/31/13/389623113.db2.gz DMFQJRVFLDJMSJ-QJPTWQEYSA-N 2 2 284.404 0.716 20 0 CCADLP OC1(C[NH+]2CCOCC2)CCN(c2cccc[nH+]2)CC1 ZINC000374969557 389624424 /nfs/dbraw/zinc/62/44/24/389624424.db2.gz FZTCKJZJRJWIMM-UHFFFAOYSA-N 2 2 277.368 0.745 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C[C@H]1[NH+]1CCOCC1 ZINC000178860788 389625964 /nfs/dbraw/zinc/62/59/64/389625964.db2.gz MEIMDWNRTSJART-APIJFGDWSA-N 2 2 295.427 0.683 20 0 CCADLP CN(C(=O)C[NH+]1CCN(CCC[NH3+])CC1)C1CCCCC1 ZINC000414690141 389627350 /nfs/dbraw/zinc/62/73/50/389627350.db2.gz HFOBAOWOUZHTDZ-UHFFFAOYSA-N 2 2 296.459 0.744 20 0 CCADLP CN(C(=O)CN1CC[NH+](CCC[NH3+])CC1)C1CCCCC1 ZINC000414690141 389627356 /nfs/dbraw/zinc/62/73/56/389627356.db2.gz HFOBAOWOUZHTDZ-UHFFFAOYSA-N 2 2 296.459 0.744 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000414961560 389648122 /nfs/dbraw/zinc/64/81/22/389648122.db2.gz IQWCUHCAAKAXIK-MRXNPFEDSA-N 2 2 285.395 0.866 20 0 CCADLP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[NH+](C)CC1 ZINC000414716986 389632250 /nfs/dbraw/zinc/63/22/50/389632250.db2.gz YQDJIZUZLOOVCG-UHFFFAOYSA-N 2 2 290.367 0.119 20 0 CCADLP C[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000336498807 389639454 /nfs/dbraw/zinc/63/94/54/389639454.db2.gz MYHJCTNFEJAICV-UWVGGRQHSA-N 2 2 261.316 0.394 20 0 CCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000336498807 389639459 /nfs/dbraw/zinc/63/94/59/389639459.db2.gz MYHJCTNFEJAICV-UWVGGRQHSA-N 2 2 261.316 0.394 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000351478971 389586247 /nfs/dbraw/zinc/58/62/47/389586247.db2.gz QFILSTMRGFTCAA-BYNSBNAKSA-N 3 2 294.443 0.208 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000351478971 389586252 /nfs/dbraw/zinc/58/62/52/389586252.db2.gz QFILSTMRGFTCAA-BYNSBNAKSA-N 3 2 294.443 0.208 20 0 CCADLP C[C@H]1CC[NH2+][C@H](C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000423449123 389588644 /nfs/dbraw/zinc/58/86/44/389588644.db2.gz BZGWMGGEMFYLCQ-STQMWFEESA-N 2 2 291.399 0.442 20 0 CCADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H](C)C1 ZINC000423455740 389589688 /nfs/dbraw/zinc/58/96/88/389589688.db2.gz MRYUURDYFUULFK-AALSBFMBSA-N 3 2 281.444 0.931 20 0 CCADLP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H](C)C1 ZINC000423455740 389589690 /nfs/dbraw/zinc/58/96/90/389589690.db2.gz MRYUURDYFUULFK-AALSBFMBSA-N 3 2 281.444 0.931 20 0 CCADLP CN(CC(F)(F)F)C(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351486817 389589779 /nfs/dbraw/zinc/58/97/79/389589779.db2.gz BGHSELQIHIFQLO-IVZWLZJFSA-N 2 2 279.306 0.676 20 0 CCADLP CN(CC(F)(F)F)C(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351486817 389589780 /nfs/dbraw/zinc/58/97/80/389589780.db2.gz BGHSELQIHIFQLO-IVZWLZJFSA-N 2 2 279.306 0.676 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1 ZINC000351490659 389591595 /nfs/dbraw/zinc/59/15/95/389591595.db2.gz IQTZFZWJWFLVIS-DLOVCJGASA-N 2 2 262.357 0.914 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1 ZINC000351490659 389591600 /nfs/dbraw/zinc/59/16/00/389591600.db2.gz IQTZFZWJWFLVIS-DLOVCJGASA-N 2 2 262.357 0.914 20 0 CCADLP CNC(=O)C[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423500112 389594932 /nfs/dbraw/zinc/59/49/32/389594932.db2.gz CTIVEFASVWZYNW-FPMFFAJLSA-N 2 2 261.369 0.856 20 0 CCADLP COC(=O)c1coc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCN2C)c1 ZINC000423498145 389595508 /nfs/dbraw/zinc/59/55/08/389595508.db2.gz BLRJEDNNLSUCLY-JQWIXIFHSA-N 2 2 281.356 0.620 20 0 CCADLP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C(C)(C)C[NH+]1CCOCC1 ZINC000414051104 389598381 /nfs/dbraw/zinc/59/83/81/389598381.db2.gz LIWJAMNYCJEPJC-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP CN(C(=O)[C@@H]1CCC[N@H+]1C)C(C)(C)C[NH+]1CCOCC1 ZINC000414051104 389598385 /nfs/dbraw/zinc/59/83/85/389598385.db2.gz LIWJAMNYCJEPJC-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP NC(=O)[C@@H](C[NH2+][C@H]1CC[NH2+]C1)Cc1ccc(F)cc1 ZINC000415112516 389660892 /nfs/dbraw/zinc/66/08/92/389660892.db2.gz SAZKBCQEXIIMLH-YPMHNXCESA-N 2 2 265.332 0.421 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000336688205 389663125 /nfs/dbraw/zinc/66/31/25/389663125.db2.gz AEMHBKSCSTXJJN-WCQYABFASA-N 2 2 251.374 0.633 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000336688205 389663128 /nfs/dbraw/zinc/66/31/28/389663128.db2.gz AEMHBKSCSTXJJN-WCQYABFASA-N 2 2 251.374 0.633 20 0 CCADLP CC[C@@H](C)NC(=O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180943850 389678442 /nfs/dbraw/zinc/67/84/42/389678442.db2.gz IMNUXGXSNYLADM-CQSZACIVSA-N 2 2 298.475 0.859 20 0 CCADLP CC[C@@H](C)NC(=O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180943850 389678445 /nfs/dbraw/zinc/67/84/45/389678445.db2.gz IMNUXGXSNYLADM-CQSZACIVSA-N 2 2 298.475 0.859 20 0 CCADLP CC[C@@H](C)NC(=O)CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000180943850 389678449 /nfs/dbraw/zinc/67/84/49/389678449.db2.gz IMNUXGXSNYLADM-CQSZACIVSA-N 2 2 298.475 0.859 20 0 CCADLP CC[C@@H](C)NC(=O)CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000180943850 389678452 /nfs/dbraw/zinc/67/84/52/389678452.db2.gz IMNUXGXSNYLADM-CQSZACIVSA-N 2 2 298.475 0.859 20 0 CCADLP CCC[N@H+](CC)CCNC(=O)NC[C@H]1CN(C)CC[NH+]1C ZINC000351783986 389680398 /nfs/dbraw/zinc/68/03/98/389680398.db2.gz NELAYFWYDHAWDU-AWEZNQCLSA-N 2 2 299.463 0.263 20 0 CCADLP CCC[N@@H+](CC)CCNC(=O)NC[C@H]1CN(C)CC[NH+]1C ZINC000351783986 389680401 /nfs/dbraw/zinc/68/04/01/389680401.db2.gz NELAYFWYDHAWDU-AWEZNQCLSA-N 2 2 299.463 0.263 20 0 CCADLP CCC[NH+](CC)CCNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000351783986 389680404 /nfs/dbraw/zinc/68/04/04/389680404.db2.gz NELAYFWYDHAWDU-AWEZNQCLSA-N 2 2 299.463 0.263 20 0 CCADLP CCC[NH+](CC)CCNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000351783986 389680409 /nfs/dbraw/zinc/68/04/09/389680409.db2.gz NELAYFWYDHAWDU-AWEZNQCLSA-N 2 2 299.463 0.263 20 0 CCADLP COc1coc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1=O ZINC000351857468 389700103 /nfs/dbraw/zinc/70/01/03/389700103.db2.gz BNDHDUGAAJJOSU-ZJUUUORDSA-N 2 2 252.314 0.818 20 0 CCADLP COc1coc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1=O ZINC000351857468 389700106 /nfs/dbraw/zinc/70/01/06/389700106.db2.gz BNDHDUGAAJJOSU-ZJUUUORDSA-N 2 2 252.314 0.818 20 0 CCADLP O=C(NCCn1cc[nH+]c1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000351882123 389706927 /nfs/dbraw/zinc/70/69/27/389706927.db2.gz WCTZOSNEUABQIZ-UHFFFAOYSA-N 2 2 282.307 0.894 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCN(c2cccnn2)CC1 ZINC000428566964 389707008 /nfs/dbraw/zinc/70/70/08/389707008.db2.gz QDUDBNAKCHTOFV-GXTWGEPZSA-N 2 2 275.400 0.985 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCN(c2cccnn2)CC1 ZINC000428566964 389707010 /nfs/dbraw/zinc/70/70/10/389707010.db2.gz QDUDBNAKCHTOFV-GXTWGEPZSA-N 2 2 275.400 0.985 20 0 CCADLP C[C@@H](C(=O)N1CCC(OCCC[NH3+])CC1)[NH+]1CCOCC1 ZINC000429619639 389762638 /nfs/dbraw/zinc/76/26/38/389762638.db2.gz OOVFLMJYTBBFSH-ZDUSSCGKSA-N 2 2 299.415 0.064 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]CCN1CCSCC1)C1CC1 ZINC000381385015 389764816 /nfs/dbraw/zinc/76/48/16/389764816.db2.gz SREWCBNPKNHIJZ-ZDUSSCGKSA-N 2 2 273.446 0.080 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]CCN1CCSCC1)C1CC1 ZINC000381385015 389764819 /nfs/dbraw/zinc/76/48/19/389764819.db2.gz SREWCBNPKNHIJZ-ZDUSSCGKSA-N 2 2 273.446 0.080 20 0 CCADLP C[N@H+](C[C@@H](O)CNCC[NH+]1CCSCC1)C1CC1 ZINC000381385015 389764821 /nfs/dbraw/zinc/76/48/21/389764821.db2.gz SREWCBNPKNHIJZ-ZDUSSCGKSA-N 2 2 273.446 0.080 20 0 CCADLP C[N@@H+](C[C@@H](O)CNCC[NH+]1CCSCC1)C1CC1 ZINC000381385015 389764823 /nfs/dbraw/zinc/76/48/23/389764823.db2.gz SREWCBNPKNHIJZ-ZDUSSCGKSA-N 2 2 273.446 0.080 20 0 CCADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000429855761 389772838 /nfs/dbraw/zinc/77/28/38/389772838.db2.gz DYHCVNDENCMIHW-CYBMUJFWSA-N 2 2 288.351 0.559 20 0 CCADLP Cc1cc[nH+]cc1CCC[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000429855761 389772840 /nfs/dbraw/zinc/77/28/40/389772840.db2.gz DYHCVNDENCMIHW-CYBMUJFWSA-N 2 2 288.351 0.559 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000416812243 389773014 /nfs/dbraw/zinc/77/30/14/389773014.db2.gz DNHXCYUGZNKGHU-GFCCVEGCSA-N 2 2 286.420 0.252 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000416834005 389775514 /nfs/dbraw/zinc/77/55/14/389775514.db2.gz WCRZKWUHADPNQQ-GFCCVEGCSA-N 2 2 286.420 0.380 20 0 CCADLP [NH3+][C@@H](C(=O)N1CC[NH+](Cc2ccncc2)CC1)C1CCC1 ZINC000399202888 389789205 /nfs/dbraw/zinc/78/92/05/389789205.db2.gz UUNMIFSMGSHEQR-OAHLLOKOSA-N 2 2 288.395 0.853 20 0 CCADLP C[C@H](CNC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000417011732 389789594 /nfs/dbraw/zinc/78/95/94/389789594.db2.gz SVCKGLUWOVBHQO-MCIONIFRSA-N 2 2 298.431 0.524 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000417022010 389790165 /nfs/dbraw/zinc/79/01/65/389790165.db2.gz UTYLGNLHFOYVAQ-LBPRGKRZSA-N 2 2 279.388 0.930 20 0 CCADLP COCC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H]1CCOC1 ZINC000352355364 389796542 /nfs/dbraw/zinc/79/65/42/389796542.db2.gz BYFDVXWGJVFBIR-ZIAGYGMSSA-N 2 2 272.389 0.179 20 0 CCADLP COCC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@@H]1CCOC1 ZINC000352355364 389796544 /nfs/dbraw/zinc/79/65/44/389796544.db2.gz BYFDVXWGJVFBIR-ZIAGYGMSSA-N 2 2 272.389 0.179 20 0 CCADLP COCC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCOC1 ZINC000352355364 389796546 /nfs/dbraw/zinc/79/65/46/389796546.db2.gz BYFDVXWGJVFBIR-ZIAGYGMSSA-N 2 2 272.389 0.179 20 0 CCADLP COCC[N@H+](CCCn1cc[nH+]c1)CC(=O)N(C)C ZINC000183162248 389726128 /nfs/dbraw/zinc/72/61/28/389726128.db2.gz SCIOMFWBIYCQHT-UHFFFAOYSA-N 2 2 268.361 0.310 20 0 CCADLP COCC[N@@H+](CCCn1cc[nH+]c1)CC(=O)N(C)C ZINC000183162248 389726136 /nfs/dbraw/zinc/72/61/36/389726136.db2.gz SCIOMFWBIYCQHT-UHFFFAOYSA-N 2 2 268.361 0.310 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)CC(C)(C)C[NH3+] ZINC000416434786 389742707 /nfs/dbraw/zinc/74/27/07/389742707.db2.gz WKYNPPDGRABNNM-LLVKDONJSA-N 2 2 267.377 0.898 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000352076773 389747255 /nfs/dbraw/zinc/74/72/55/389747255.db2.gz QFASYQGJKOUPOO-UHFFFAOYSA-N 2 2 253.390 0.927 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)N[C@H](C)C[NH3+])cn2c1 ZINC000417198635 389802543 /nfs/dbraw/zinc/80/25/43/389802543.db2.gz WKVQLVILSQOEHP-SNVBAGLBSA-N 2 2 261.329 0.789 20 0 CCADLP Cc1ccn2cc(CNC(=O)NCCC[NH3+])[nH+]c2c1 ZINC000417245581 389805742 /nfs/dbraw/zinc/80/57/42/389805742.db2.gz SPBGYBLAXDGIAK-UHFFFAOYSA-N 2 2 261.329 0.791 20 0 CCADLP CO[C@@]1(C[NH2+]CCC[NH+]2CCOCC2)CCOC1 ZINC000401932164 389806382 /nfs/dbraw/zinc/80/63/82/389806382.db2.gz MKJASIRZSMEIDH-CYBMUJFWSA-N 2 2 258.362 0.104 20 0 CCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)NC1CCOCC1 ZINC000430586782 389809812 /nfs/dbraw/zinc/80/98/12/389809812.db2.gz XKVCEEQBXFSZQI-CYBMUJFWSA-N 2 2 257.378 0.245 20 0 CCADLP CC[NH2+]CC1CC[NH+](Cc2cc(=O)n3[nH]ccc3n2)CC1 ZINC000430594153 389810615 /nfs/dbraw/zinc/81/06/15/389810615.db2.gz GBAHGOBYCKXLOR-UHFFFAOYSA-N 2 2 289.383 0.844 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H]2CCN(C(C)C)C2=O)C1 ZINC000430625884 389814021 /nfs/dbraw/zinc/81/40/21/389814021.db2.gz KSDMJYTZTQUREV-STQMWFEESA-N 2 2 253.390 0.927 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H]2CCN(C(C)C)C2=O)C1 ZINC000430625884 389814023 /nfs/dbraw/zinc/81/40/23/389814023.db2.gz KSDMJYTZTQUREV-STQMWFEESA-N 2 2 253.390 0.927 20 0 CCADLP C[NH2+][C@@H]1CCCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000417427330 389814754 /nfs/dbraw/zinc/81/47/54/389814754.db2.gz PSIZVIYWODJBJD-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH2+][C@@H]1CCCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000417427330 389814760 /nfs/dbraw/zinc/81/47/60/389814760.db2.gz PSIZVIYWODJBJD-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NCC[N@@H+]2CCOCC2(C)C)CC[NH2+]1 ZINC000417499267 389821476 /nfs/dbraw/zinc/82/14/76/389821476.db2.gz FREOCLJVPDCOPH-CHWSQXEVSA-N 2 2 298.431 0.537 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NCC[N@H+]2CCOCC2(C)C)CC[NH2+]1 ZINC000417499267 389821478 /nfs/dbraw/zinc/82/14/78/389821478.db2.gz FREOCLJVPDCOPH-CHWSQXEVSA-N 2 2 298.431 0.537 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000417500449 389821950 /nfs/dbraw/zinc/82/19/50/389821950.db2.gz HIWUKJUMTDAFRE-CYBMUJFWSA-N 2 2 298.431 0.620 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000417500449 389821954 /nfs/dbraw/zinc/82/19/54/389821954.db2.gz HIWUKJUMTDAFRE-CYBMUJFWSA-N 2 2 298.431 0.620 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1COCC[NH2+]1)[N@@H+]1CCCC[C@H]1C ZINC000430744658 389822053 /nfs/dbraw/zinc/82/20/53/389822053.db2.gz SXQUUMAZCQVRDJ-AGIUHOORSA-N 2 2 269.389 0.354 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1COCC[NH2+]1)[N@H+]1CCCC[C@H]1C ZINC000430744658 389822055 /nfs/dbraw/zinc/82/20/55/389822055.db2.gz SXQUUMAZCQVRDJ-AGIUHOORSA-N 2 2 269.389 0.354 20 0 CCADLP CCCCN(CC)C(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352508335 389822078 /nfs/dbraw/zinc/82/20/78/389822078.db2.gz GJIBUBIYSKQULZ-OAHLLOKOSA-N 2 2 296.459 0.615 20 0 CCADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000417513317 389824202 /nfs/dbraw/zinc/82/42/02/389824202.db2.gz XKBOLVVJBBGNPC-OLZOCXBDSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000417513317 389824204 /nfs/dbraw/zinc/82/42/04/389824204.db2.gz XKBOLVVJBBGNPC-OLZOCXBDSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC[NH2+]1 ZINC000417518465 389824809 /nfs/dbraw/zinc/82/48/09/389824809.db2.gz SQJNURRKZNHIOS-AGIUHOORSA-N 2 2 284.404 0.147 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NCC[N@H+]2CCOC[C@@H]2C)CC[NH2+]1 ZINC000417518465 389824811 /nfs/dbraw/zinc/82/48/11/389824811.db2.gz SQJNURRKZNHIOS-AGIUHOORSA-N 2 2 284.404 0.147 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000417516207 389824953 /nfs/dbraw/zinc/82/49/53/389824953.db2.gz GGAQMWGJNXOHTA-UTUOFQBUSA-N 2 2 272.393 0.132 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000417516206 389825361 /nfs/dbraw/zinc/82/53/61/389825361.db2.gz GGAQMWGJNXOHTA-TUAOUCFPSA-N 2 2 272.393 0.132 20 0 CCADLP C[C@H](NC(=O)NC1(C)CC[NH2+]CC1)[C@H](C)[NH+]1CCOCC1 ZINC000417524533 389826216 /nfs/dbraw/zinc/82/62/16/389826216.db2.gz SPZYTZVBYCCHKL-STQMWFEESA-N 2 2 298.431 0.537 20 0 CCADLP CN(C)c1ncc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)s1 ZINC000352534413 389827788 /nfs/dbraw/zinc/82/77/88/389827788.db2.gz GJKMJKOKJKTCGG-GFCCVEGCSA-N 2 2 295.456 0.689 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+](CCn2c(C)csc2=O)C1 ZINC000430918315 389834152 /nfs/dbraw/zinc/83/41/52/389834152.db2.gz MRSIAISVZYVKMI-LLVKDONJSA-N 2 2 255.387 0.760 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+](CCn2c(C)csc2=O)C1 ZINC000430918315 389834153 /nfs/dbraw/zinc/83/41/53/389834153.db2.gz MRSIAISVZYVKMI-LLVKDONJSA-N 2 2 255.387 0.760 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)n1 ZINC000430947295 389838180 /nfs/dbraw/zinc/83/81/80/389838180.db2.gz AMKJXFIIVDYSOH-ONGXEEELSA-N 2 2 250.346 0.914 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)n1 ZINC000430947295 389838184 /nfs/dbraw/zinc/83/81/84/389838184.db2.gz AMKJXFIIVDYSOH-ONGXEEELSA-N 2 2 250.346 0.914 20 0 CCADLP CCC(CC)[C@@H](C(=O)NC[C@@H](C)C[NH3+])[NH+]1CCOCC1 ZINC000441605564 389838785 /nfs/dbraw/zinc/83/87/85/389838785.db2.gz TUQXTCRCXVZZHX-JSGCOSHPSA-N 2 2 285.432 0.834 20 0 CCADLP Cc1cc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)n(C)n1 ZINC000417678928 389841002 /nfs/dbraw/zinc/84/10/02/389841002.db2.gz DBCGTAJGVQBZIS-UHFFFAOYSA-N 2 2 291.443 0.942 20 0 CCADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CC[NH2+]CC1 ZINC000417687928 389842068 /nfs/dbraw/zinc/84/20/68/389842068.db2.gz INOHRSVBTZLENG-UHFFFAOYSA-N 2 2 285.351 0.987 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)CC1 ZINC000430973317 389842719 /nfs/dbraw/zinc/84/27/19/389842719.db2.gz WXRSAIKEKWBGIT-MELADBBJSA-N 3 2 282.432 0.208 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)CC1 ZINC000430973317 389842723 /nfs/dbraw/zinc/84/27/23/389842723.db2.gz WXRSAIKEKWBGIT-MELADBBJSA-N 3 2 282.432 0.208 20 0 CCADLP C[C@H](CNC(=O)CC1CC[NH2+]CC1)[NH+]1CCN(C)CC1 ZINC000431001083 389843348 /nfs/dbraw/zinc/84/33/48/389843348.db2.gz HVNBYOKGFFDWSQ-CYBMUJFWSA-N 2 2 282.432 0.128 20 0 CCADLP C[C@H]1CN(C(=O)C(C)(C)C[NH3+])C[C@@H]1[NH+]1CCOCC1 ZINC000431012227 389844292 /nfs/dbraw/zinc/84/42/92/389844292.db2.gz DQMLORZWWNKFOD-RYUDHWBXSA-N 2 2 269.389 0.150 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000353815491 389856146 /nfs/dbraw/zinc/85/61/46/389856146.db2.gz MNHUXAUAROPDOM-KKUMJFAQSA-N 2 2 295.427 0.600 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000353815491 389856149 /nfs/dbraw/zinc/85/61/49/389856149.db2.gz MNHUXAUAROPDOM-KKUMJFAQSA-N 2 2 295.427 0.600 20 0 CCADLP CCn1nncc1C[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000417852404 389856827 /nfs/dbraw/zinc/85/68/27/389856827.db2.gz HCISRXCSVHIMOU-BETUJISGSA-N 2 2 281.404 0.887 20 0 CCADLP CCn1nncc1C[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000417852404 389856829 /nfs/dbraw/zinc/85/68/29/389856829.db2.gz HCISRXCSVHIMOU-BETUJISGSA-N 2 2 281.404 0.887 20 0 CCADLP C[C@@H]1[NH2+]CCN(C(=O)NCc2c[nH+]c(N(C)C)n2C)[C@H]1C ZINC000417854590 389857552 /nfs/dbraw/zinc/85/75/52/389857552.db2.gz UFGNKRIXBACPMK-QWRGUYRKSA-N 2 2 294.403 0.378 20 0 CCADLP C[C@H]1[NH2+]CCN(C(=O)NCc2c[nH+]c(N(C)C)n2C)[C@@H]1C ZINC000417854588 389857671 /nfs/dbraw/zinc/85/76/71/389857671.db2.gz UFGNKRIXBACPMK-GHMZBOCLSA-N 2 2 294.403 0.378 20 0 CCADLP Cn1c2cc(F)ccc2[nH+]c1NC[C@@H]1C[N@H+](C)CCN1C ZINC000431412713 389858775 /nfs/dbraw/zinc/85/87/75/389858775.db2.gz GBDGTHULPKVGFE-GFCCVEGCSA-N 2 2 291.374 0.792 20 0 CCADLP Cn1c2cc(F)ccc2[nH+]c1NC[C@@H]1C[N@@H+](C)CCN1C ZINC000431412713 389858777 /nfs/dbraw/zinc/85/87/77/389858777.db2.gz GBDGTHULPKVGFE-GFCCVEGCSA-N 2 2 291.374 0.792 20 0 CCADLP C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442775104 389862569 /nfs/dbraw/zinc/86/25/69/389862569.db2.gz BKAIMVANLJATRZ-OUAUKWLOSA-N 2 2 263.345 0.473 20 0 CCADLP C[C@@H](C(=O)Nc1ncccn1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442775104 389862571 /nfs/dbraw/zinc/86/25/71/389862571.db2.gz BKAIMVANLJATRZ-OUAUKWLOSA-N 2 2 263.345 0.473 20 0 CCADLP Cc1cc(C[NH2+][C@@H](C)CC[NH+]2CCOCC2)n(C)n1 ZINC000417961030 389862865 /nfs/dbraw/zinc/86/28/65/389862865.db2.gz GAIIIWSPKMDUGQ-LBPRGKRZSA-N 2 2 266.389 0.929 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418626138 389881187 /nfs/dbraw/zinc/88/11/87/389881187.db2.gz RWFKVVVDLWSGAW-AWEZNQCLSA-N 2 2 298.431 0.478 20 0 CCADLP Cn1c(NC[C@@H]2C[N@H+](C)CCN2C)[nH+]c2cccc(F)c21 ZINC000443512154 389881272 /nfs/dbraw/zinc/88/12/72/389881272.db2.gz SDAFKPGLRWXCTO-LLVKDONJSA-N 2 2 291.374 0.792 20 0 CCADLP Cn1c(NC[C@@H]2C[N@@H+](C)CCN2C)[nH+]c2cccc(F)c21 ZINC000443512154 389881273 /nfs/dbraw/zinc/88/12/73/389881273.db2.gz SDAFKPGLRWXCTO-LLVKDONJSA-N 2 2 291.374 0.792 20 0 CCADLP O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)[C@H]1CC[NH2+]1 ZINC000444166609 389893643 /nfs/dbraw/zinc/89/36/43/389893643.db2.gz KXQFTIIZJQPHOO-HUUCEWRRSA-N 2 2 289.379 0.538 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000444388008 389905654 /nfs/dbraw/zinc/90/56/54/389905654.db2.gz ZBKKQFIHRZEYHU-HIFRSBDPSA-N 2 2 295.427 0.386 20 0 CCADLP CC(C)[C@@H](C[NH3+])C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000433169816 389903143 /nfs/dbraw/zinc/90/31/43/389903143.db2.gz SWAWWGUNWORADL-VXGBXAGGSA-N 2 2 257.378 0.054 20 0 CCADLP CC(C)[C@@H](C[NH3+])C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000433169816 389903145 /nfs/dbraw/zinc/90/31/45/389903145.db2.gz SWAWWGUNWORADL-VXGBXAGGSA-N 2 2 257.378 0.054 20 0 CCADLP CC1(C)[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)[C@@H]2CCO[C@@H]21 ZINC000447533463 389957116 /nfs/dbraw/zinc/95/71/16/389957116.db2.gz XOSVJXFIUYMNTH-DGAVXFQQSA-N 2 2 295.427 0.729 20 0 CCADLP CC1(C)[C@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)[C@@H]2CCO[C@@H]21 ZINC000447533463 389957118 /nfs/dbraw/zinc/95/71/18/389957118.db2.gz XOSVJXFIUYMNTH-DGAVXFQQSA-N 2 2 295.427 0.729 20 0 CCADLP CC1(C)[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)[C@@H]2CCO[C@@H]21 ZINC000447533464 389957401 /nfs/dbraw/zinc/95/74/01/389957401.db2.gz XOSVJXFIUYMNTH-FQUUOJAGSA-N 2 2 295.427 0.729 20 0 CCADLP CC1(C)[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)[C@@H]2CCO[C@@H]21 ZINC000447533464 389957402 /nfs/dbraw/zinc/95/74/02/389957402.db2.gz XOSVJXFIUYMNTH-FQUUOJAGSA-N 2 2 295.427 0.729 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420265787 389975394 /nfs/dbraw/zinc/97/53/94/389975394.db2.gz CAMLTBLYTAJYJG-IKGGRYGDSA-N 3 2 291.439 0.849 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420265787 389975398 /nfs/dbraw/zinc/97/53/98/389975398.db2.gz CAMLTBLYTAJYJG-IKGGRYGDSA-N 3 2 291.439 0.849 20 0 CCADLP C[NH2+]CCC[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000435879019 389965316 /nfs/dbraw/zinc/96/53/16/389965316.db2.gz IBAYRBPFUKHORC-UHFFFAOYSA-N 2 2 276.384 0.517 20 0 CCADLP COCC[NH2+]CCNc1[nH+]c2cccc(F)c2n1C ZINC000420218775 389967376 /nfs/dbraw/zinc/96/73/76/389967376.db2.gz OOUQRAYJXQQNMA-UHFFFAOYSA-N 2 2 266.320 0.782 20 0 CCADLP CC(C)c1nc(N2CC[C@H]([NH3+])[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000420241261 389971192 /nfs/dbraw/zinc/97/11/92/389971192.db2.gz AQIZAGSUNPZSOU-UWVGGRQHSA-N 2 2 264.377 0.987 20 0 CCADLP C[C@H]([NH3+])[C@H](C)Nc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000420274582 389976322 /nfs/dbraw/zinc/97/63/22/389976322.db2.gz YIKPLWCMXQLMTH-SRVKXCTJSA-N 2 2 279.388 0.975 20 0 CCADLP C[C@H]1CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@@H]1C[NH3+] ZINC000420296657 389979411 /nfs/dbraw/zinc/97/94/11/389979411.db2.gz XMCQXYAMRXNBBS-LLLHUVSDSA-N 3 2 291.439 0.977 20 0 CCADLP C[C@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@@H]1C[NH3+] ZINC000420296657 389979412 /nfs/dbraw/zinc/97/94/12/389979412.db2.gz XMCQXYAMRXNBBS-LLLHUVSDSA-N 3 2 291.439 0.977 20 0 CCADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000420295641 389979717 /nfs/dbraw/zinc/97/97/17/389979717.db2.gz PRKNVJPHKPRDKV-OLZOCXBDSA-N 2 2 297.399 0.211 20 0 CCADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000420295641 389979720 /nfs/dbraw/zinc/97/97/20/389979720.db2.gz PRKNVJPHKPRDKV-OLZOCXBDSA-N 2 2 297.399 0.211 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000448231922 389980717 /nfs/dbraw/zinc/98/07/17/389980717.db2.gz VPDAJVKNLZDGMG-ZFWWWQNUSA-N 2 2 291.395 0.913 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000448231922 389980719 /nfs/dbraw/zinc/98/07/19/389980719.db2.gz VPDAJVKNLZDGMG-ZFWWWQNUSA-N 2 2 291.395 0.913 20 0 CCADLP C[N@@H+](CC(=O)NCCCC1CCCCC1)C[C@H](O)C[NH3+] ZINC000420349722 389988594 /nfs/dbraw/zinc/98/85/94/389988594.db2.gz DRZPSHFQUAZKFY-CQSZACIVSA-N 2 2 285.432 0.715 20 0 CCADLP C[N@H+](CC(=O)NCCCC1CCCCC1)C[C@H](O)C[NH3+] ZINC000420349722 389988596 /nfs/dbraw/zinc/98/85/96/389988596.db2.gz DRZPSHFQUAZKFY-CQSZACIVSA-N 2 2 285.432 0.715 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)NCCC[NH+]1CCCC1 ZINC000448599199 389988721 /nfs/dbraw/zinc/98/87/21/389988721.db2.gz YGFABNXAQBRFHO-ZDUSSCGKSA-N 2 2 269.389 0.309 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)NCCC[NH+]1CCCC1 ZINC000448599199 389988722 /nfs/dbraw/zinc/98/87/22/389988722.db2.gz YGFABNXAQBRFHO-ZDUSSCGKSA-N 2 2 269.389 0.309 20 0 CCADLP C[N@H+](C[C@H](O)C[NH3+])[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000420354511 389990077 /nfs/dbraw/zinc/99/00/77/389990077.db2.gz OMGVIPZGRWAWDD-SKDRFNHKSA-N 2 2 299.321 0.322 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH3+])[C@H]1CCN(c2c(F)cccc2F)C1=O ZINC000420354511 389990078 /nfs/dbraw/zinc/99/00/78/389990078.db2.gz OMGVIPZGRWAWDD-SKDRFNHKSA-N 2 2 299.321 0.322 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC000420356046 389991036 /nfs/dbraw/zinc/99/10/36/389991036.db2.gz CKRNFOLUBCSMDI-CKYFFXLPSA-N 2 2 284.404 0.587 20 0 CCADLP CC(C)N1CC[C@H]([NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)C1=O ZINC000420357917 389991057 /nfs/dbraw/zinc/99/10/57/389991057.db2.gz DXTCNQWLUOZKGJ-FVCCEPFGSA-N 2 2 253.390 0.972 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC000420358677 389991181 /nfs/dbraw/zinc/99/11/81/389991181.db2.gz FSVBYMPYMDOJOI-NQMVMOMDSA-N 2 2 267.295 0.641 20 0 CCADLP O=C(NCCn1cc[nH+]c1)NC[C@H]1CCCC[N@H+]1CCO ZINC000457477762 390044659 /nfs/dbraw/zinc/04/46/59/390044659.db2.gz YCTYKGQMJXABJO-CYBMUJFWSA-N 2 2 295.387 0.029 20 0 CCADLP O=C(NCCn1cc[nH+]c1)NC[C@H]1CCCC[N@@H+]1CCO ZINC000457477762 390044661 /nfs/dbraw/zinc/04/46/61/390044661.db2.gz YCTYKGQMJXABJO-CYBMUJFWSA-N 2 2 295.387 0.029 20 0 CCADLP CCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420372977 389993761 /nfs/dbraw/zinc/99/37/61/389993761.db2.gz MQPZTOALCXIQKX-JSGCOSHPSA-N 2 2 253.390 0.977 20 0 CCADLP CCCNC(=O)[C@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420372977 389993762 /nfs/dbraw/zinc/99/37/62/389993762.db2.gz MQPZTOALCXIQKX-JSGCOSHPSA-N 2 2 253.390 0.977 20 0 CCADLP Cc1[nH+]c2ccccn2c1CN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000420397507 389996761 /nfs/dbraw/zinc/99/67/61/389996761.db2.gz FSYUAXQTRQJTDB-GXTWGEPZSA-N 2 2 272.352 0.815 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NCc2cccnc2)C[C@H]1C[NH3+] ZINC000420414649 389998672 /nfs/dbraw/zinc/99/86/72/389998672.db2.gz UOWDJVPRUWISCR-GXTWGEPZSA-N 2 2 276.384 0.615 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)NCc2cccnc2)C[C@H]1C[NH3+] ZINC000420414649 389998673 /nfs/dbraw/zinc/99/86/73/389998673.db2.gz UOWDJVPRUWISCR-GXTWGEPZSA-N 2 2 276.384 0.615 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@]1(C)CCC(=O)N1 ZINC000453395864 390009640 /nfs/dbraw/zinc/00/96/40/390009640.db2.gz HXWJSVQNVKOKLD-QKCSRTOESA-N 2 2 251.374 0.727 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@]1(C)CCC(=O)N1 ZINC000453395864 390009642 /nfs/dbraw/zinc/00/96/42/390009642.db2.gz HXWJSVQNVKOKLD-QKCSRTOESA-N 2 2 251.374 0.727 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C2CC2)C[C@H](C)[N@H+]1CCO ZINC000456244561 390013969 /nfs/dbraw/zinc/01/39/69/390013969.db2.gz NRZQMYILKOHVJA-VNHYZAJKSA-N 2 2 295.427 0.527 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C2CC2)C[C@H](C)[N@@H+]1CCO ZINC000456244561 390013970 /nfs/dbraw/zinc/01/39/70/390013970.db2.gz NRZQMYILKOHVJA-VNHYZAJKSA-N 2 2 295.427 0.527 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)C[C@H](C)[NH+]1CCO ZINC000456244561 390013971 /nfs/dbraw/zinc/01/39/71/390013971.db2.gz NRZQMYILKOHVJA-VNHYZAJKSA-N 2 2 295.427 0.527 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CC2)C[C@H](C)[NH+]1CCO ZINC000456244561 390013972 /nfs/dbraw/zinc/01/39/72/390013972.db2.gz NRZQMYILKOHVJA-VNHYZAJKSA-N 2 2 295.427 0.527 20 0 CCADLP C[C@H]1C[C@@H](C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CO1 ZINC000439284635 390018858 /nfs/dbraw/zinc/01/88/58/390018858.db2.gz ZLVAYEWGYYAFNK-UONOGXRCSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@H]1C[C@@H](C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CO1 ZINC000439284635 390018860 /nfs/dbraw/zinc/01/88/60/390018860.db2.gz ZLVAYEWGYYAFNK-UONOGXRCSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](CCO)C[C@@H]1C)[NH+]1CCCCCC1 ZINC000457079621 390026960 /nfs/dbraw/zinc/02/69/60/390026960.db2.gz AHCDIQUWBLQGJX-LSDHHAIUSA-N 2 2 297.443 0.776 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](CCO)C[C@@H]1C)[NH+]1CCCCCC1 ZINC000457079621 390026961 /nfs/dbraw/zinc/02/69/61/390026961.db2.gz AHCDIQUWBLQGJX-LSDHHAIUSA-N 2 2 297.443 0.776 20 0 CCADLP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C(=O)N1CCOCC1 ZINC000459420001 390074278 /nfs/dbraw/zinc/07/42/78/390074278.db2.gz FSCPZAWBRFMKRQ-OAHLLOKOSA-N 2 2 295.427 0.840 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)CC2CC[NH+](C)CC2)CCO1 ZINC000487501350 390087785 /nfs/dbraw/zinc/08/77/85/390087785.db2.gz KJHNVXUKVWBXPG-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP C[C@@H](CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[NH+](C)C ZINC000458603674 390060323 /nfs/dbraw/zinc/06/03/23/390060323.db2.gz UWJSMHORQVPXHI-ZDUSSCGKSA-N 3 2 299.463 0.262 20 0 CCADLP Cn1c(C[N@@H+]2CC[C@@H](C[NH3+])C2)nc2ccccc2c1=O ZINC000647829727 390183866 /nfs/dbraw/zinc/18/38/66/390183866.db2.gz QXTVPMFYWKXKCF-NSHDSACASA-N 2 2 272.352 0.714 20 0 CCADLP Cn1c(C[N@H+]2CC[C@@H](C[NH3+])C2)nc2ccccc2c1=O ZINC000647829727 390183868 /nfs/dbraw/zinc/18/38/68/390183868.db2.gz QXTVPMFYWKXKCF-NSHDSACASA-N 2 2 272.352 0.714 20 0 CCADLP C[N@@H+]1CCN(C(=O)/C=C\C2CCOCC2)[C@@H](C[NH3+])C1 ZINC000493718061 390127560 /nfs/dbraw/zinc/12/75/60/390127560.db2.gz NPSQORTXUNSUHQ-ZRMMWKCHSA-N 2 2 267.373 0.071 20 0 CCADLP C[N@H+]1CCN(C(=O)/C=C\C2CCOCC2)[C@@H](C[NH3+])C1 ZINC000493718061 390127561 /nfs/dbraw/zinc/12/75/61/390127561.db2.gz NPSQORTXUNSUHQ-ZRMMWKCHSA-N 2 2 267.373 0.071 20 0 CCADLP O=C(C[C@H]1COCC[NH2+]1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000644150281 390148379 /nfs/dbraw/zinc/14/83/79/390148379.db2.gz BGROSIZVBKOQNM-STQMWFEESA-N 2 2 290.367 0.155 20 0 CCADLP CC1(C)C[NH2+][C@H]1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000644150312 390148424 /nfs/dbraw/zinc/14/84/24/390148424.db2.gz HMZMHSHDPHNGCI-YPMHNXCESA-N 2 2 274.368 0.775 20 0 CCADLP O=C(Cc1cn2ccccc2[nH+]1)NC[C@@H]1C[NH2+]CCCO1 ZINC000579236042 390154895 /nfs/dbraw/zinc/15/48/95/390154895.db2.gz STKHBWNRROATAQ-ZDUSSCGKSA-N 2 2 288.351 0.372 20 0 CCADLP Cn1ccc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)n1 ZINC000579353487 390165020 /nfs/dbraw/zinc/16/50/20/390165020.db2.gz DCBNEBHFCPUOFV-LBPRGKRZSA-N 2 2 264.373 0.607 20 0 CCADLP Cn1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)n1 ZINC000579353487 390165023 /nfs/dbraw/zinc/16/50/23/390165023.db2.gz DCBNEBHFCPUOFV-LBPRGKRZSA-N 2 2 264.373 0.607 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C[NH+]1CCOCC1 ZINC000647786848 390171488 /nfs/dbraw/zinc/17/14/88/390171488.db2.gz ZVODHZYAVSFCDF-LVQVYYBASA-N 3 2 281.444 0.932 20 0 CCADLP CCO[C@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000579465016 390174535 /nfs/dbraw/zinc/17/45/35/390174535.db2.gz GNAIUCJJUBRHLZ-YYFQZIEXSA-N 2 2 286.416 0.614 20 0 CCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000647874419 390202422 /nfs/dbraw/zinc/20/24/22/390202422.db2.gz UHCZQEMQUNPPMH-OLZOCXBDSA-N 3 2 293.415 0.498 20 0 CCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000647874419 390202423 /nfs/dbraw/zinc/20/24/23/390202423.db2.gz UHCZQEMQUNPPMH-OLZOCXBDSA-N 3 2 293.415 0.498 20 0 CCADLP CC[NH+](C)CCNc1cc(NCC[N@@H+](C)CC)nc(C)[nH+]1 ZINC000539198186 390202999 /nfs/dbraw/zinc/20/29/99/390202999.db2.gz WYLGHLUFEFVMLH-UHFFFAOYSA-N 3 2 294.447 0.934 20 0 CCADLP CC[NH+](C)CCNc1cc(NCC[N@H+](C)CC)nc(C)[nH+]1 ZINC000539198186 390203005 /nfs/dbraw/zinc/20/30/05/390203005.db2.gz WYLGHLUFEFVMLH-UHFFFAOYSA-N 3 2 294.447 0.934 20 0 CCADLP CC[NH+](C)CCNc1cc(NCC[N@H+](C)CC)[nH+]c(C)n1 ZINC000539198186 390203010 /nfs/dbraw/zinc/20/30/10/390203010.db2.gz WYLGHLUFEFVMLH-UHFFFAOYSA-N 3 2 294.447 0.934 20 0 CCADLP CC[NH+](C)CCNc1cc(NCC[N@@H+](C)CC)[nH+]c(C)n1 ZINC000539198186 390203014 /nfs/dbraw/zinc/20/30/14/390203014.db2.gz WYLGHLUFEFVMLH-UHFFFAOYSA-N 3 2 294.447 0.934 20 0 CCADLP C[N@@H+]1CC[C@H]2CCN(c3nc[nH+]c4c3OCCN4)[C@@H]2C1 ZINC000647876787 390203345 /nfs/dbraw/zinc/20/33/45/390203345.db2.gz ZUOFZSVTJAAIGW-WDEREUQCSA-N 2 2 275.356 0.811 20 0 CCADLP C[N@H+]1CC[C@H]2CCN(c3nc[nH+]c4c3OCCN4)[C@@H]2C1 ZINC000647876787 390203348 /nfs/dbraw/zinc/20/33/48/390203348.db2.gz ZUOFZSVTJAAIGW-WDEREUQCSA-N 2 2 275.356 0.811 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[N@H+](C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000647885730 390207824 /nfs/dbraw/zinc/20/78/24/390207824.db2.gz KAAUVUUGSZICAI-WDEREUQCSA-N 2 2 260.403 0.493 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[N@@H+](C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000647885730 390207826 /nfs/dbraw/zinc/20/78/26/390207826.db2.gz KAAUVUUGSZICAI-WDEREUQCSA-N 2 2 260.403 0.493 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccon3)C[C@H]21 ZINC000647907919 390213425 /nfs/dbraw/zinc/21/34/25/390213425.db2.gz QUOZUKZGXRMYNR-HBNTYKKESA-N 2 2 264.329 0.094 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccon3)C[C@H]21 ZINC000647907919 390213430 /nfs/dbraw/zinc/21/34/30/390213430.db2.gz QUOZUKZGXRMYNR-HBNTYKKESA-N 2 2 264.329 0.094 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH2+][C@H](c3ccncc3)C2)C1 ZINC000580093410 390220820 /nfs/dbraw/zinc/22/08/20/390220820.db2.gz FTQPCQJDVVNTQH-ZFWWWQNUSA-N 2 2 288.395 0.896 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH2+][C@H](c3ccncc3)C2)C1 ZINC000580093410 390220822 /nfs/dbraw/zinc/22/08/22/390220822.db2.gz FTQPCQJDVVNTQH-ZFWWWQNUSA-N 2 2 288.395 0.896 20 0 CCADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC[C@@H]2CCCO2)CC[C@H]1[NH3+] ZINC000647940170 390223148 /nfs/dbraw/zinc/22/31/48/390223148.db2.gz OKWVJXRPWZLFQC-YIYPIFLZSA-N 2 2 283.416 0.729 20 0 CCADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)NC[C@@H]2CCCO2)CC[C@H]1[NH3+] ZINC000647940170 390223149 /nfs/dbraw/zinc/22/31/49/390223149.db2.gz OKWVJXRPWZLFQC-YIYPIFLZSA-N 2 2 283.416 0.729 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000580189035 390227207 /nfs/dbraw/zinc/22/72/07/390227207.db2.gz FAMNDEICLRSGRF-SRVKXCTJSA-N 2 2 272.393 0.132 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000580189035 390227210 /nfs/dbraw/zinc/22/72/10/390227210.db2.gz FAMNDEICLRSGRF-SRVKXCTJSA-N 2 2 272.393 0.132 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)N3CC[NH+](CCO)CC3)ccn12 ZINC000579611846 390192254 /nfs/dbraw/zinc/19/22/54/390192254.db2.gz YYMASYQXYLYBCU-UHFFFAOYSA-N 2 2 288.351 0.393 20 0 CCADLP C[C@H]([NH3+])[C@H]1C[N@H+](CCC(=O)NC2CCCC2)CCO1 ZINC000647863437 390196771 /nfs/dbraw/zinc/19/67/71/390196771.db2.gz BRIGNPUHSPAZMV-WCQYABFASA-N 2 2 269.389 0.483 20 0 CCADLP C[C@H]([NH3+])[C@H]1C[N@@H+](CCC(=O)NC2CCCC2)CCO1 ZINC000647863437 390196776 /nfs/dbraw/zinc/19/67/76/390196776.db2.gz BRIGNPUHSPAZMV-WCQYABFASA-N 2 2 269.389 0.483 20 0 CCADLP CS(=O)(=O)C[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000647992224 390242176 /nfs/dbraw/zinc/24/21/76/390242176.db2.gz UPOBSZDEKBUJLT-OCCSQVGLSA-N 2 2 282.409 0.971 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](CN2CCOCC2)C1 ZINC000647965318 390232096 /nfs/dbraw/zinc/23/20/96/390232096.db2.gz RVCBVXRUKMNKQT-CVEARBPZSA-N 2 2 299.459 0.342 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](CN2CCOCC2)C1 ZINC000647965318 390232099 /nfs/dbraw/zinc/23/20/99/390232099.db2.gz RVCBVXRUKMNKQT-CVEARBPZSA-N 2 2 299.459 0.342 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000647965318 390232101 /nfs/dbraw/zinc/23/21/01/390232101.db2.gz RVCBVXRUKMNKQT-CVEARBPZSA-N 2 2 299.459 0.342 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000647965318 390232103 /nfs/dbraw/zinc/23/21/03/390232103.db2.gz RVCBVXRUKMNKQT-CVEARBPZSA-N 2 2 299.459 0.342 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]CCOC[C@H]1CCOC1)C1CC1 ZINC000644558192 390252065 /nfs/dbraw/zinc/25/20/65/390252065.db2.gz VNZFSGQCHKPQJR-JSGCOSHPSA-N 2 2 272.389 0.084 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]CCOC[C@H]1CCOC1)C1CC1 ZINC000644558192 390252067 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291.461 0.540 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CCS(=O)(=O)N(C)C)[C@H](C)C1 ZINC000336808606 285370528 /nfs/dbraw/zinc/37/05/28/285370528.db2.gz CMNACVKMOUGXGP-CHWSQXEVSA-N 2 2 291.461 0.540 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CCS(=O)(=O)N(C)C)[C@H](C)C1 ZINC000336808606 285370532 /nfs/dbraw/zinc/37/05/32/285370532.db2.gz CMNACVKMOUGXGP-CHWSQXEVSA-N 2 2 291.461 0.540 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CCS(=O)(=O)N(C)C)[C@H](C)C1 ZINC000336808606 285370535 /nfs/dbraw/zinc/37/05/35/285370535.db2.gz CMNACVKMOUGXGP-CHWSQXEVSA-N 2 2 291.461 0.540 20 0 CCADLP CC[N@@H+]1CCC[C@H](CNc2nc(C)[nH+]c(N(C)C)n2)C1 ZINC000545885556 390333760 /nfs/dbraw/zinc/33/37/60/390333760.db2.gz IZMGRKLVPZBKRS-GFCCVEGCSA-N 2 2 278.404 0.812 20 0 CCADLP CC[N@H+]1CCC[C@H](CNc2nc(C)[nH+]c(N(C)C)n2)C1 ZINC000545885556 390333764 /nfs/dbraw/zinc/33/37/64/390333764.db2.gz IZMGRKLVPZBKRS-GFCCVEGCSA-N 2 2 278.404 0.812 20 0 CCADLP CC[N@@H+]1CCC[C@H](CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC000545885556 390333768 /nfs/dbraw/zinc/33/37/68/390333768.db2.gz IZMGRKLVPZBKRS-GFCCVEGCSA-N 2 2 278.404 0.812 20 0 CCADLP CC[N@H+]1CCC[C@H](CNc2nc(N(C)C)nc(C)[nH+]2)C1 ZINC000545885556 390333771 /nfs/dbraw/zinc/33/37/71/390333771.db2.gz IZMGRKLVPZBKRS-GFCCVEGCSA-N 2 2 278.404 0.812 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cc[nH]n2)CC1 ZINC000545912635 390335843 /nfs/dbraw/zinc/33/58/43/390335843.db2.gz LXWAWTPPRSALRX-UHFFFAOYSA-N 2 2 280.372 0.917 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2CC[C@@H](CC(N)=O)C2)n1C ZINC000644903756 390343036 /nfs/dbraw/zinc/34/30/36/390343036.db2.gz OILPEIDFQAPESD-JTQLQIEISA-N 2 2 265.361 0.183 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2CC[C@@H](CC(N)=O)C2)n1C ZINC000644903756 390343043 /nfs/dbraw/zinc/34/30/43/390343043.db2.gz OILPEIDFQAPESD-JTQLQIEISA-N 2 2 265.361 0.183 20 0 CCADLP CN(C)c1[nH+]cc(CN2CC[C@H]3C[N@H+](C)C[C@H]32)n1C ZINC000644903694 390343123 /nfs/dbraw/zinc/34/31/23/390343123.db2.gz DNRGDOORMJOJHQ-WCQYABFASA-N 2 2 263.389 0.622 20 0 CCADLP CN(C)c1[nH+]cc(CN2CC[C@H]3C[N@@H+](C)C[C@H]32)n1C ZINC000644903694 390343125 /nfs/dbraw/zinc/34/31/25/390343125.db2.gz DNRGDOORMJOJHQ-WCQYABFASA-N 2 2 263.389 0.622 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000584477523 390348422 /nfs/dbraw/zinc/34/84/22/390348422.db2.gz KFBPIHQJYAHLSC-CHWSQXEVSA-N 2 2 271.405 0.731 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000584477523 390348424 /nfs/dbraw/zinc/34/84/24/390348424.db2.gz KFBPIHQJYAHLSC-CHWSQXEVSA-N 2 2 271.405 0.731 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000554781487 390441664 /nfs/dbraw/zinc/44/16/64/390441664.db2.gz QDUQXHSULDZWKC-AWEZNQCLSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000554781487 390441667 /nfs/dbraw/zinc/44/16/67/390441667.db2.gz QDUQXHSULDZWKC-AWEZNQCLSA-N 2 2 297.443 0.944 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000623479504 390401199 /nfs/dbraw/zinc/40/11/99/390401199.db2.gz XOIDJHVYTUSPEZ-AWEZNQCLSA-N 2 2 292.383 0.515 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@@H]1[NH2+]CC1(C)C)[NH+]1CCOCC1 ZINC000645302729 390406674 /nfs/dbraw/zinc/40/66/74/390406674.db2.gz RNTNRQDKZMINOV-OLZOCXBDSA-N 2 2 283.416 0.457 20 0 CCADLP Cn1ccnc1[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CC1 ZINC000547928916 390409225 /nfs/dbraw/zinc/40/92/25/390409225.db2.gz FZKRUUSADQBSEA-OCCSQVGLSA-N 2 2 264.373 0.527 20 0 CCADLP Cn1ccnc1[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC000547928916 390409228 /nfs/dbraw/zinc/40/92/28/390409228.db2.gz FZKRUUSADQBSEA-OCCSQVGLSA-N 2 2 264.373 0.527 20 0 CCADLP COCC1CCC([NH2+]CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000648437273 390373239 /nfs/dbraw/zinc/37/32/39/390373239.db2.gz KMRJYZCEMFADTP-UHFFFAOYSA-N 2 2 283.416 0.555 20 0 CCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000547539724 390382482 /nfs/dbraw/zinc/38/24/82/390382482.db2.gz TVCZZNMMSLOQKE-GFCCVEGCSA-N 2 2 264.373 0.763 20 0 CCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000547539724 390382486 /nfs/dbraw/zinc/38/24/86/390382486.db2.gz TVCZZNMMSLOQKE-GFCCVEGCSA-N 2 2 264.373 0.763 20 0 CCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[NH+](CCO)CC1 ZINC000648729141 390396177 /nfs/dbraw/zinc/39/61/77/390396177.db2.gz IFVVDSRKJPEYIU-ZDUSSCGKSA-N 2 2 294.399 0.533 20 0 CCADLP CC(C)OCC[C@H](O)C[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000519400888 390499076 /nfs/dbraw/zinc/49/90/76/390499076.db2.gz VMJBVRUOXHIFSM-GJZGRUSLSA-N 2 2 288.432 0.599 20 0 CCADLP CC(C)OCC[C@H](O)C[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000519400888 390499079 /nfs/dbraw/zinc/49/90/79/390499079.db2.gz VMJBVRUOXHIFSM-GJZGRUSLSA-N 2 2 288.432 0.599 20 0 CCADLP COc1c(N)[nH+]cnc1N1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000519542311 390506775 /nfs/dbraw/zinc/50/67/75/390506775.db2.gz DDQKFUFFATURFZ-SNVBAGLBSA-N 2 2 295.387 0.349 20 0 CCADLP COc1c(N)[nH+]cnc1N1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000519542311 390506781 /nfs/dbraw/zinc/50/67/81/390506781.db2.gz DDQKFUFFATURFZ-SNVBAGLBSA-N 2 2 295.387 0.349 20 0 CCADLP COc1c(N)nc[nH+]c1N1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000519542311 390506786 /nfs/dbraw/zinc/50/67/86/390506786.db2.gz DDQKFUFFATURFZ-SNVBAGLBSA-N 2 2 295.387 0.349 20 0 CCADLP COc1c(N)nc[nH+]c1N1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000519542311 390506792 /nfs/dbraw/zinc/50/67/92/390506792.db2.gz DDQKFUFFATURFZ-SNVBAGLBSA-N 2 2 295.387 0.349 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)[C@@H](C[NH3+])C1 ZINC000565411548 390510713 /nfs/dbraw/zinc/51/07/13/390510713.db2.gz UVGQNBRNWDCPEH-WUHRBBMRSA-N 2 2 296.415 0.084 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)[C@@H](C[NH3+])C1 ZINC000565411548 390510715 /nfs/dbraw/zinc/51/07/15/390510715.db2.gz UVGQNBRNWDCPEH-WUHRBBMRSA-N 2 2 296.415 0.084 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000643472265 390451796 /nfs/dbraw/zinc/45/17/96/390451796.db2.gz OJCOZULRJABKKD-SOUVJXGZSA-N 3 2 294.443 0.271 20 0 CCADLP OCC1(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CCC1 ZINC000643480607 390453517 /nfs/dbraw/zinc/45/35/17/390453517.db2.gz FZANHCDYGGZUTB-OLZOCXBDSA-N 2 2 254.374 0.506 20 0 CCADLP C[C@H](NC(=O)NCC[N@@H+]1CCOC[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000565470366 390515544 /nfs/dbraw/zinc/51/55/44/390515544.db2.gz NFYDFYRHNCUWSO-RDBSUJKOSA-N 2 2 298.431 0.394 20 0 CCADLP C[C@H](NC(=O)NCC[N@H+]1CCOC[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000565470366 390515549 /nfs/dbraw/zinc/51/55/49/390515549.db2.gz NFYDFYRHNCUWSO-RDBSUJKOSA-N 2 2 298.431 0.394 20 0 CCADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@@H+]([C@@H]2COC[C@H]2O)C1 ZINC000556259032 390478448 /nfs/dbraw/zinc/47/84/48/390478448.db2.gz NMNUHWLGLSLRLL-YNEHKIRRSA-N 2 2 293.367 0.360 20 0 CCADLP CN(C)c1[nH+]cccc1O[C@H]1CC[N@H+]([C@@H]2COC[C@H]2O)C1 ZINC000556259032 390478451 /nfs/dbraw/zinc/47/84/51/390478451.db2.gz NMNUHWLGLSLRLL-YNEHKIRRSA-N 2 2 293.367 0.360 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649320585 390578438 /nfs/dbraw/zinc/57/84/38/390578438.db2.gz MZTBKYSXQLSBNY-VIFPVBQESA-N 2 2 255.268 0.995 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2C[C@H]2C2CCC2)[C@H](C[NH3+])C1 ZINC000566104217 390578991 /nfs/dbraw/zinc/57/89/91/390578991.db2.gz HPRASHKQVNLTJI-MJBXVCDLSA-N 2 2 280.416 0.707 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@@H]2C[C@H]2C2CCC2)[C@H](C[NH3+])C1 ZINC000566104217 390578996 /nfs/dbraw/zinc/57/89/96/390578996.db2.gz HPRASHKQVNLTJI-MJBXVCDLSA-N 2 2 280.416 0.707 20 0 CCADLP O=C(NCCNc1ccc2ccccc2[nH+]1)[C@H]1CCC[NH2+]1 ZINC000646033976 390579105 /nfs/dbraw/zinc/57/91/05/390579105.db2.gz WWWUSMGUZKTSQA-CQSZACIVSA-N 2 2 284.363 0.937 20 0 CCADLP Cc1ccc(CCNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000521006116 390592533 /nfs/dbraw/zinc/59/25/33/390592533.db2.gz OUOSIJWGZMGFLC-OAHLLOKOSA-N 2 2 290.411 0.822 20 0 CCADLP Cc1ccc(CCNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000521006116 390592537 /nfs/dbraw/zinc/59/25/37/390592537.db2.gz OUOSIJWGZMGFLC-OAHLLOKOSA-N 2 2 290.411 0.822 20 0 CCADLP C[C@H](CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1cc[nH+]c1 ZINC000565601322 390528325 /nfs/dbraw/zinc/52/83/25/390528325.db2.gz XKEABGBVFBUYKY-CQSZACIVSA-N 3 2 295.431 0.786 20 0 CCADLP CC1(C)C[NH2+][C@@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000645926795 390532505 /nfs/dbraw/zinc/53/25/05/390532505.db2.gz WHJZJIMDJAXBJG-LLVKDONJSA-N 2 2 269.389 0.211 20 0 CCADLP CC1(C)C[NH2+][C@@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000645926795 390532506 /nfs/dbraw/zinc/53/25/06/390532506.db2.gz WHJZJIMDJAXBJG-LLVKDONJSA-N 2 2 269.389 0.211 20 0 CCADLP CC(C)C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645977912 390555785 /nfs/dbraw/zinc/55/57/85/390555785.db2.gz NDOMDPZWMKTGFY-DZGCQCFKSA-N 3 2 296.459 0.645 20 0 CCADLP CC(C)C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645977912 390555787 /nfs/dbraw/zinc/55/57/87/390555787.db2.gz NDOMDPZWMKTGFY-DZGCQCFKSA-N 3 2 296.459 0.645 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CC3(C[NH3+])CC3)C2)CC1 ZINC000645977682 390555837 /nfs/dbraw/zinc/55/58/37/390555837.db2.gz IKZGXLVFIJTIOW-CYBMUJFWSA-N 3 2 294.443 0.400 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CC3(C[NH3+])CC3)C2)CC1 ZINC000645977682 390555839 /nfs/dbraw/zinc/55/58/39/390555839.db2.gz IKZGXLVFIJTIOW-CYBMUJFWSA-N 3 2 294.443 0.400 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649293845 390555952 /nfs/dbraw/zinc/55/59/52/390555952.db2.gz LQKIYERXZBKJOH-MNOVXSKESA-N 2 2 291.342 0.068 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C[NH2+]C3CC3)C2)CC1 ZINC000645977996 390557683 /nfs/dbraw/zinc/55/76/83/390557683.db2.gz PQSCMCWBDDTLEQ-ZDUSSCGKSA-N 3 2 280.416 0.023 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C[NH2+]C3CC3)C2)CC1 ZINC000645977996 390557687 /nfs/dbraw/zinc/55/76/87/390557687.db2.gz PQSCMCWBDDTLEQ-ZDUSSCGKSA-N 3 2 280.416 0.023 20 0 CCADLP C[C@H](CC(=O)N1CC[C@H]2OCC[NH2+][C@@H]2C1)n1cc[nH+]c1 ZINC000565957724 390563113 /nfs/dbraw/zinc/56/31/13/390563113.db2.gz ONMDDFCHUVQIDO-JHJVBQTASA-N 2 2 278.356 0.424 20 0 CCADLP COc1ccccc1[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000649304762 390564066 /nfs/dbraw/zinc/56/40/66/390564066.db2.gz FUFMTAMMASIVJS-SMDDNHRTSA-N 2 2 277.368 0.905 20 0 CCADLP COc1ccccc1[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000649304762 390564071 /nfs/dbraw/zinc/56/40/71/390564071.db2.gz FUFMTAMMASIVJS-SMDDNHRTSA-N 2 2 277.368 0.905 20 0 CCADLP CCC[C@@H](CC)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000565999363 390564814 /nfs/dbraw/zinc/56/48/14/390564814.db2.gz LLGAAFALGCWDKZ-NEPJUHHUSA-N 2 2 256.394 0.849 20 0 CCADLP CCC[C@@H](CC)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000565999363 390564817 /nfs/dbraw/zinc/56/48/17/390564817.db2.gz LLGAAFALGCWDKZ-NEPJUHHUSA-N 2 2 256.394 0.849 20 0 CCADLP Cc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000565999353 390565356 /nfs/dbraw/zinc/56/53/56/390565356.db2.gz KKMOPLXODLJYSF-CQSZACIVSA-N 2 2 276.384 0.779 20 0 CCADLP Cc1ccc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000565999353 390565359 /nfs/dbraw/zinc/56/53/59/390565359.db2.gz KKMOPLXODLJYSF-CQSZACIVSA-N 2 2 276.384 0.779 20 0 CCADLP CCC[C@@H](CC)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000565999366 390565546 /nfs/dbraw/zinc/56/55/46/390565546.db2.gz LLGAAFALGCWDKZ-VXGBXAGGSA-N 2 2 256.394 0.849 20 0 CCADLP CCC[C@@H](CC)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000565999366 390565550 /nfs/dbraw/zinc/56/55/50/390565550.db2.gz LLGAAFALGCWDKZ-VXGBXAGGSA-N 2 2 256.394 0.849 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2C[NH2+]CCC2(F)F)CCO1 ZINC000649312382 390570599 /nfs/dbraw/zinc/57/05/99/390570599.db2.gz LEUUTBCDZWOPIF-GHMZBOCLSA-N 2 2 291.342 0.068 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2C[NH2+]CCC2(F)F)CCO1 ZINC000649312382 390570601 /nfs/dbraw/zinc/57/06/01/390570601.db2.gz LEUUTBCDZWOPIF-GHMZBOCLSA-N 2 2 291.342 0.068 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2CCO[C@H]2C2CC2)C[C@@H](C)O1 ZINC000566061596 390571259 /nfs/dbraw/zinc/57/12/59/390571259.db2.gz MPLKMHATDHGQFY-JLHFOLKXSA-N 2 2 298.427 0.614 20 0 CCADLP CN(CCC[NH3+])C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000566513891 390626420 /nfs/dbraw/zinc/62/64/20/390626420.db2.gz VQHARQHCGYDWNZ-UHFFFAOYSA-N 2 2 279.388 0.752 20 0 CCADLP C[C@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C[NH+]1CCCC1 ZINC000566550761 390628017 /nfs/dbraw/zinc/62/80/17/390628017.db2.gz LQAVYJJORMKOKK-ZIAGYGMSSA-N 3 2 297.447 0.003 20 0 CCADLP C[C@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C[NH+]1CCCC1 ZINC000566550761 390628021 /nfs/dbraw/zinc/62/80/21/390628021.db2.gz LQAVYJJORMKOKK-ZIAGYGMSSA-N 3 2 297.447 0.003 20 0 CCADLP O[C@H](C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)C1CCC1 ZINC000566732275 390641237 /nfs/dbraw/zinc/64/12/37/390641237.db2.gz UZPNARCGMQLRJS-MCIONIFRSA-N 2 2 254.374 0.504 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)CCn2cc[nH+]c2)CCO1 ZINC000523748189 390642951 /nfs/dbraw/zinc/64/29/51/390642951.db2.gz KZOGGXILMXMMGD-GFCCVEGCSA-N 2 2 266.345 0.110 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)CCn2cc[nH+]c2)CCO1 ZINC000523748189 390642972 /nfs/dbraw/zinc/64/29/72/390642972.db2.gz KZOGGXILMXMMGD-GFCCVEGCSA-N 2 2 266.345 0.110 20 0 CCADLP Cc1cccc2[nH+]c(CCNC(=O)N3CC[C@@H]([NH3+])C3)cn21 ZINC000646234288 390645354 /nfs/dbraw/zinc/64/53/54/390645354.db2.gz HMDSCZUZIKUMMK-GFCCVEGCSA-N 2 2 287.367 0.928 20 0 CCADLP COc1cccc(C[C@H](C)[NH2+]C[C@H]2C[NH2+]CCO2)n1 ZINC000566785601 390646789 /nfs/dbraw/zinc/64/67/89/390646789.db2.gz ZDLZCRKXXXFEHQ-WCQYABFASA-N 2 2 265.357 0.599 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000566792206 390647429 /nfs/dbraw/zinc/64/74/29/390647429.db2.gz NLWZBEARYDRHBO-RMRHIDDWSA-N 2 2 286.416 0.614 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000566792206 390647433 /nfs/dbraw/zinc/64/74/33/390647433.db2.gz NLWZBEARYDRHBO-RMRHIDDWSA-N 2 2 286.416 0.614 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000646265098 390654059 /nfs/dbraw/zinc/65/40/59/390654059.db2.gz LINDBVLLUOPRIP-YNEHKIRRSA-N 2 2 274.368 0.775 20 0 CCADLP CC(C)CNC(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102683 390597763 /nfs/dbraw/zinc/59/77/63/390597763.db2.gz NVYIKOJRHONFTJ-UHFFFAOYSA-N 2 2 283.416 0.555 20 0 CCADLP CC(C)CNC(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102683 390597768 /nfs/dbraw/zinc/59/77/68/390597768.db2.gz NVYIKOJRHONFTJ-UHFFFAOYSA-N 2 2 283.416 0.555 20 0 CCADLP CC(C)[C@@H](C)NC(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102265 390597968 /nfs/dbraw/zinc/59/79/68/390597968.db2.gz GZHLBLQWFTUWHC-CQSZACIVSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[C@@H](C)NC(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102265 390597974 /nfs/dbraw/zinc/59/79/74/390597974.db2.gz GZHLBLQWFTUWHC-CQSZACIVSA-N 2 2 297.443 0.944 20 0 CCADLP c1c[nH+]c(CN2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)[nH]1 ZINC000521253050 390601405 /nfs/dbraw/zinc/60/14/05/390601405.db2.gz TVOQFJMBFZJHNG-CYBMUJFWSA-N 3 2 263.389 0.527 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](OC)[C@H](C)C1 ZINC000566429224 390603930 /nfs/dbraw/zinc/60/39/30/390603930.db2.gz PNSGJNDGGNCUBW-RDBSUJKOSA-N 2 2 274.405 0.282 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](OC)[C@H](C)C1 ZINC000566429224 390603932 /nfs/dbraw/zinc/60/39/32/390603932.db2.gz PNSGJNDGGNCUBW-RDBSUJKOSA-N 2 2 274.405 0.282 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](OC)[C@H](C)C1 ZINC000566429224 390603934 /nfs/dbraw/zinc/60/39/34/390603934.db2.gz PNSGJNDGGNCUBW-RDBSUJKOSA-N 2 2 274.405 0.282 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](OC)[C@H](C)C1 ZINC000566429224 390603936 /nfs/dbraw/zinc/60/39/36/390603936.db2.gz PNSGJNDGGNCUBW-RDBSUJKOSA-N 2 2 274.405 0.282 20 0 CCADLP Cc1cccn2cc(CC(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)[nH+]c12 ZINC000649363096 390607618 /nfs/dbraw/zinc/60/76/18/390607618.db2.gz UKADQGRHBMEXHW-IMRBUKKESA-N 2 2 270.336 0.519 20 0 CCADLP Cc1cccn2cc(CCNC(=O)[C@@H]3C[NH2+]CCO3)[nH+]c12 ZINC000646138209 390616445 /nfs/dbraw/zinc/61/64/45/390616445.db2.gz GATXSUGFKZKYBJ-ZDUSSCGKSA-N 2 2 288.351 0.290 20 0 CCADLP COCC[NH2+]CC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000567585032 390705149 /nfs/dbraw/zinc/70/51/49/390705149.db2.gz KZEMLDNZIKSDOX-LLVKDONJSA-N 2 2 266.345 0.699 20 0 CCADLP NC(=O)C1(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CCCC1 ZINC000567641627 390708538 /nfs/dbraw/zinc/70/85/38/390708538.db2.gz WYUYIHXKMPCBOY-STQMWFEESA-N 2 2 281.400 0.389 20 0 CCADLP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000570171722 390717604 /nfs/dbraw/zinc/71/76/04/390717604.db2.gz JFUMZVMXMPQANL-WUHRBBMRSA-N 2 2 254.374 0.502 20 0 CCADLP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1nnnn1CC1CC1 ZINC000571394950 390733604 /nfs/dbraw/zinc/73/36/04/390733604.db2.gz GNZVWUHBNJTBEI-QWRGUYRKSA-N 2 2 250.350 0.300 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C1CCCC1 ZINC000646831927 390725410 /nfs/dbraw/zinc/72/54/10/390725410.db2.gz JSONZTLZWUDZNZ-YPMHNXCESA-N 2 2 253.390 0.914 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C1CCCC1 ZINC000646831927 390725411 /nfs/dbraw/zinc/72/54/11/390725411.db2.gz JSONZTLZWUDZNZ-YPMHNXCESA-N 2 2 253.390 0.914 20 0 CCADLP C[C@@H](CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccncc1 ZINC000646833175 390725765 /nfs/dbraw/zinc/72/57/65/390725765.db2.gz LSHFDEUFEVDDRO-GXTWGEPZSA-N 2 2 276.384 0.677 20 0 CCADLP C[C@@H](CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccncc1 ZINC000646833175 390725767 /nfs/dbraw/zinc/72/57/67/390725767.db2.gz LSHFDEUFEVDDRO-GXTWGEPZSA-N 2 2 276.384 0.677 20 0 CCADLP Cn1cc(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c2ccccc21 ZINC000567057489 390668592 /nfs/dbraw/zinc/66/85/92/390668592.db2.gz GCCVRGKZMJXERI-GFCCVEGCSA-N 2 2 286.379 0.893 20 0 CCADLP Cn1cc(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c2ccccc21 ZINC000567057489 390668595 /nfs/dbraw/zinc/66/85/95/390668595.db2.gz GCCVRGKZMJXERI-GFCCVEGCSA-N 2 2 286.379 0.893 20 0 CCADLP O=C(NCC[N@H+]1CC=CCC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000526975472 390686512 /nfs/dbraw/zinc/68/65/12/390686512.db2.gz ZURDTZWZGPDHCQ-CYBMUJFWSA-N 2 2 289.383 0.759 20 0 CCADLP O=C(NCC[N@@H+]1CC=CCC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000526975472 390686514 /nfs/dbraw/zinc/68/65/14/390686514.db2.gz ZURDTZWZGPDHCQ-CYBMUJFWSA-N 2 2 289.383 0.759 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)N[C@H](c1[nH]cc[nH+]1)C(C)C ZINC000646553919 390693120 /nfs/dbraw/zinc/69/31/20/390693120.db2.gz IZTZIEPGTAPXIM-ONGXEEELSA-N 2 2 254.334 0.587 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000567365973 390695713 /nfs/dbraw/zinc/69/57/13/390695713.db2.gz RCODOZQUWPIGOJ-NSHDSACASA-N 2 2 290.371 0.985 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000567365973 390695715 /nfs/dbraw/zinc/69/57/15/390695715.db2.gz RCODOZQUWPIGOJ-NSHDSACASA-N 2 2 290.371 0.985 20 0 CCADLP Cc1csc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000571778307 390753087 /nfs/dbraw/zinc/75/30/87/390753087.db2.gz WWTCHCASQVHFQT-NSHDSACASA-N 2 2 282.413 0.841 20 0 CCADLP Cc1csc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000571778307 390753089 /nfs/dbraw/zinc/75/30/89/390753089.db2.gz WWTCHCASQVHFQT-NSHDSACASA-N 2 2 282.413 0.841 20 0 CCADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000571976120 390761839 /nfs/dbraw/zinc/76/18/39/390761839.db2.gz CCZBMSGROFXDDN-GFCCVEGCSA-N 2 2 288.351 0.473 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000571976120 390761841 /nfs/dbraw/zinc/76/18/41/390761841.db2.gz CCZBMSGROFXDDN-GFCCVEGCSA-N 2 2 288.351 0.473 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)NC1(C[NH3+])CCOCC1 ZINC000528684457 390768495 /nfs/dbraw/zinc/76/84/95/390768495.db2.gz GATMHKYGPPJAMB-UHFFFAOYSA-N 2 2 264.329 0.441 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H](CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000647073659 390769848 /nfs/dbraw/zinc/76/98/48/390769848.db2.gz YOQINUZHWBUGOK-BBBLOLIVSA-N 2 2 261.316 0.617 20 0 CCADLP CC1([NH+]2CCOCC2)CC[NH+](CC[C@@H]2CCNC2=O)CC1 ZINC000528726332 390771796 /nfs/dbraw/zinc/77/17/96/390771796.db2.gz GTWNPQGIQXDFFI-AWEZNQCLSA-N 2 2 295.427 0.699 20 0 CCADLP CC1([NH+]2CCOCC2)CC[NH+](CC[C@H]2CCNC2=O)CC1 ZINC000528726333 390771830 /nfs/dbraw/zinc/77/18/30/390771830.db2.gz GTWNPQGIQXDFFI-CQSZACIVSA-N 2 2 295.427 0.699 20 0 CCADLP CCNC(=O)CC[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528726514 390771842 /nfs/dbraw/zinc/77/18/42/390771842.db2.gz CWOIFOJQVQWTGY-UHFFFAOYSA-N 2 2 283.416 0.699 20 0 CCADLP COC[C@H]([NH3+])C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000572843058 390806358 /nfs/dbraw/zinc/80/63/58/390806358.db2.gz IZJIPVZGKQFSOZ-NSHDSACASA-N 2 2 266.345 0.152 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)[C@]1(O)CCOC1 ZINC000647246781 390797013 /nfs/dbraw/zinc/79/70/13/390797013.db2.gz QJWANMJGCNSWJW-BZPMIXESSA-N 2 2 256.390 0.704 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)[C@]1(O)CCOC1 ZINC000647246781 390797017 /nfs/dbraw/zinc/79/70/17/390797017.db2.gz QJWANMJGCNSWJW-BZPMIXESSA-N 2 2 256.390 0.704 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@H](C)C[C@@H](C)[NH3+])CCO1 ZINC000572719265 390798923 /nfs/dbraw/zinc/79/89/23/390798923.db2.gz RKBJFNWOKWWOTK-JHJVBQTASA-N 2 2 286.420 0.522 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@H](C)C[C@@H](C)[NH3+])CCO1 ZINC000572719265 390798924 /nfs/dbraw/zinc/79/89/24/390798924.db2.gz RKBJFNWOKWWOTK-JHJVBQTASA-N 2 2 286.420 0.522 20 0 CCADLP O[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)CC1(O)CCC1 ZINC000528386730 390740061 /nfs/dbraw/zinc/74/00/61/390740061.db2.gz DFOKIZGFIDWFMN-LSDHHAIUSA-N 2 2 298.427 0.307 20 0 CCADLP O[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)CC1(O)CCC1 ZINC000528386730 390740062 /nfs/dbraw/zinc/74/00/62/390740062.db2.gz DFOKIZGFIDWFMN-LSDHHAIUSA-N 2 2 298.427 0.307 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C[NH+]1CC(C)(C)C1 ZINC000577961357 390856339 /nfs/dbraw/zinc/85/63/39/390856339.db2.gz POKFYERWBOEPMI-GFCCVEGCSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C[NH+]1CC(C)(C)C1 ZINC000577961357 390856342 /nfs/dbraw/zinc/85/63/42/390856342.db2.gz POKFYERWBOEPMI-GFCCVEGCSA-N 2 2 269.389 0.165 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)NC(=O)CCn1cc[nH+]c1 ZINC000647651959 390857600 /nfs/dbraw/zinc/85/76/00/390857600.db2.gz DZQZKPIODSUGAO-CYBMUJFWSA-N 2 2 282.388 0.482 20 0 CCADLP CC(C)OC[C@H](O)C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000578064254 390861761 /nfs/dbraw/zinc/86/17/61/390861761.db2.gz ZYRIEUGRRDQWNM-SGMGOOAPSA-N 2 2 256.390 0.987 20 0 CCADLP CC(C)OC[C@H](O)C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000578064254 390861764 /nfs/dbraw/zinc/86/17/64/390861764.db2.gz ZYRIEUGRRDQWNM-SGMGOOAPSA-N 2 2 256.390 0.987 20 0 CCADLP CCN1CCN(C(=O)N[C@H]2CC[NH2+]C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000578207265 390871087 /nfs/dbraw/zinc/87/10/87/390871087.db2.gz QKCGSHSLFKMRSH-NWDGAFQWSA-N 2 2 292.387 0.160 20 0 CCADLP CN(CCCN1CC[NH+](C)CC1)C(=O)c1c[nH+]ccc1N ZINC000578324253 390877138 /nfs/dbraw/zinc/87/71/38/390877138.db2.gz BDQSXZZBCPBARZ-UHFFFAOYSA-N 2 2 291.399 0.204 20 0 CCADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)c1c[nH+]ccc1N ZINC000578324253 390877139 /nfs/dbraw/zinc/87/71/39/390877139.db2.gz BDQSXZZBCPBARZ-UHFFFAOYSA-N 2 2 291.399 0.204 20 0 CCADLP CCOCC[C@@H](O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000572870495 390809132 /nfs/dbraw/zinc/80/91/32/390809132.db2.gz RIHFEEXDVAJNHC-GFCCVEGCSA-N 2 2 270.377 0.363 20 0 CCADLP C[N@@H+]1CCN(Cc2ccc(-n3cncn3)cc2)[C@@H](C[NH3+])C1 ZINC000572879743 390809879 /nfs/dbraw/zinc/80/98/79/390809879.db2.gz UVHWKOZJXRGAQI-HNNXBMFYSA-N 2 2 286.383 0.342 20 0 CCADLP C[N@H+]1CCN(Cc2ccc(-n3cncn3)cc2)[C@@H](C[NH3+])C1 ZINC000572879743 390809881 /nfs/dbraw/zinc/80/98/81/390809881.db2.gz UVHWKOZJXRGAQI-HNNXBMFYSA-N 2 2 286.383 0.342 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000529331317 390810327 /nfs/dbraw/zinc/81/03/27/390810327.db2.gz PXJPUQHPEMFNCY-QWRGUYRKSA-N 2 2 281.360 0.252 20 0 CCADLP C[C@@H](CC(=O)NCCCN1CC[NH2+]CC1)n1cc[nH+]c1 ZINC000573692506 390821435 /nfs/dbraw/zinc/82/14/35/390821435.db2.gz CFYUBOUYVTVKPX-ZDUSSCGKSA-N 2 2 279.388 0.246 20 0 CCADLP c1nc(NC2C[NH2+]C2)cc(N2CCSCC2)[nH+]1 ZINC000574907430 390823373 /nfs/dbraw/zinc/82/33/73/390823373.db2.gz DMZSFONUHAFKQS-UHFFFAOYSA-N 2 2 251.359 0.414 20 0 CCADLP C[C@H]([NH3+])[C@H]1C[N@H+](Cc2ccccc2-n2cncn2)CCO1 ZINC000647507247 390826187 /nfs/dbraw/zinc/82/61/87/390826187.db2.gz MJAQMDXFXWIGMX-SWLSCSKDSA-N 2 2 287.367 0.815 20 0 CCADLP C[C@H]([NH3+])[C@H]1C[N@@H+](Cc2ccccc2-n2cncn2)CCO1 ZINC000647507247 390826192 /nfs/dbraw/zinc/82/61/92/390826192.db2.gz MJAQMDXFXWIGMX-SWLSCSKDSA-N 2 2 287.367 0.815 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC2CC(F)(F)C2)[C@@H](C[NH3+])C1 ZINC000574975819 390828503 /nfs/dbraw/zinc/82/85/03/390828503.db2.gz KSQZTGAOWQLGBG-JTQLQIEISA-N 2 2 276.331 0.316 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC2CC(F)(F)C2)[C@@H](C[NH3+])C1 ZINC000574975819 390828506 /nfs/dbraw/zinc/82/85/06/390828506.db2.gz KSQZTGAOWQLGBG-JTQLQIEISA-N 2 2 276.331 0.316 20 0 CCADLP COC[C@H](C)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000647519136 390830759 /nfs/dbraw/zinc/83/07/59/390830759.db2.gz KRTMJTNHEQFWEP-CHWSQXEVSA-N 2 2 269.389 0.165 20 0 CCADLP COC[C@H](C)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000647519136 390830763 /nfs/dbraw/zinc/83/07/63/390830763.db2.gz KRTMJTNHEQFWEP-CHWSQXEVSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H]1C[C@H](NC(=O)N(C)Cc2c[nH+]c[nH]2)CC[NH2+]1 ZINC000577868064 390850130 /nfs/dbraw/zinc/85/01/30/390850130.db2.gz QUQCHYOQIJSXDB-VHSXEESVSA-N 2 2 251.334 0.692 20 0 CCADLP C[C@H]1C[C@H](NC(=O)N(C)Cc2c[nH]c[nH+]2)CC[NH2+]1 ZINC000577868064 390850133 /nfs/dbraw/zinc/85/01/33/390850133.db2.gz QUQCHYOQIJSXDB-VHSXEESVSA-N 2 2 251.334 0.692 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC[C@H]2CCNC2=O)C1 ZINC000578519091 390889080 /nfs/dbraw/zinc/88/90/80/390889080.db2.gz OSPSEIWTIXDJOX-NEPJUHHUSA-N 2 2 262.357 0.736 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC[C@H]2CCNC2=O)C1 ZINC000578519091 390889081 /nfs/dbraw/zinc/88/90/81/390889081.db2.gz OSPSEIWTIXDJOX-NEPJUHHUSA-N 2 2 262.357 0.736 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CC[C@H](O)CC1 ZINC000578664765 390897757 /nfs/dbraw/zinc/89/77/57/390897757.db2.gz XNGSLZUAOHVTAD-IHRRRGAJSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CC[C@H](O)CC1 ZINC000578664765 390897759 /nfs/dbraw/zinc/89/77/59/390897759.db2.gz XNGSLZUAOHVTAD-IHRRRGAJSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000578664765 390897760 /nfs/dbraw/zinc/89/77/60/390897760.db2.gz XNGSLZUAOHVTAD-IHRRRGAJSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000578664765 390897761 /nfs/dbraw/zinc/89/77/61/390897761.db2.gz XNGSLZUAOHVTAD-IHRRRGAJSA-N 2 2 274.405 0.161 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](C)[NH2+]C2CC2)[C@@H](C)C1 ZINC000423860578 533423566 /nfs/dbraw/zinc/42/35/66/533423566.db2.gz NKPZYWWQSXTWEE-RYUDHWBXSA-N 2 2 297.399 0.223 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H](C)[NH2+]C2CC2)[C@@H](C)C1 ZINC000423860578 533423568 /nfs/dbraw/zinc/42/35/68/533423568.db2.gz NKPZYWWQSXTWEE-RYUDHWBXSA-N 2 2 297.399 0.223 20 0 CCADLP COCCc1noc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000342092675 130253743 /nfs/dbraw/zinc/25/37/43/130253743.db2.gz VSWYQCVCUAHUMX-SDDRHHMPSA-N 2 2 280.372 0.818 20 0 CCADLP COCCc1noc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000342092675 130253745 /nfs/dbraw/zinc/25/37/45/130253745.db2.gz VSWYQCVCUAHUMX-SDDRHHMPSA-N 2 2 280.372 0.818 20 0 CCADLP COCCc1noc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000342092679 130254171 /nfs/dbraw/zinc/25/41/71/130254171.db2.gz VSWYQCVCUAHUMX-TUAOUCFPSA-N 2 2 280.372 0.818 20 0 CCADLP COCCc1noc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000342092679 130254173 /nfs/dbraw/zinc/25/41/73/130254173.db2.gz VSWYQCVCUAHUMX-TUAOUCFPSA-N 2 2 280.372 0.818 20 0 CCADLP [NH3+]C1(C[NH2+]CC(=O)Nc2ccc3c(c2)OCCO3)CCC1 ZINC000342125375 130282151 /nfs/dbraw/zinc/28/21/51/130282151.db2.gz DRGAUVJOINEPQR-UHFFFAOYSA-N 2 2 291.351 0.867 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[NH+](CCCF)CC1 ZINC000529510275 285472062 /nfs/dbraw/zinc/47/20/62/285472062.db2.gz SCINDRUYUFCDTQ-UHFFFAOYSA-N 2 2 268.336 0.695 20 0 CCADLP CC1=CC[N@H+](CCNC(=O)NCCc2cn(C)c[nH+]2)CC1 ZINC000575099672 335065103 /nfs/dbraw/zinc/06/51/03/335065103.db2.gz WWSASXMXMZEGIK-UHFFFAOYSA-N 2 2 291.399 0.914 20 0 CCADLP CC1=CC[N@@H+](CCNC(=O)NCCc2cn(C)c[nH+]2)CC1 ZINC000575099672 335065104 /nfs/dbraw/zinc/06/51/04/335065104.db2.gz WWSASXMXMZEGIK-UHFFFAOYSA-N 2 2 291.399 0.914 20 0 CCADLP CC[C@H](C(=O)OC)[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000171529236 335069015 /nfs/dbraw/zinc/06/90/15/335069015.db2.gz QGPUJKMSNXRIOO-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@H](C(=O)OC)[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000171529236 335069016 /nfs/dbraw/zinc/06/90/16/335069016.db2.gz QGPUJKMSNXRIOO-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP OC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CCC1 ZINC000658086367 413098385 /nfs/dbraw/zinc/09/83/85/413098385.db2.gz HXIALXZPNHJULQ-GJZGRUSLSA-N 2 2 268.401 0.990 20 0 CCADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1(CO)CC1 ZINC000658155023 413107330 /nfs/dbraw/zinc/10/73/30/413107330.db2.gz KGVVWVVSCHKBHA-TZMCWYRMSA-N 2 2 268.401 0.990 20 0 CCADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1(CO)CC1 ZINC000658155020 413107900 /nfs/dbraw/zinc/10/79/00/413107900.db2.gz KGVVWVVSCHKBHA-GXTWGEPZSA-N 2 2 268.401 0.990 20 0 CCADLP CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000517938234 285779050 /nfs/dbraw/zinc/77/90/50/285779050.db2.gz CJSACDQBZFNWMB-QWHCGFSZSA-N 2 2 292.383 0.555 20 0 CCADLP COc1ccccc1C[NH+]1CCN(CCOCC[NH3+])CC1 ZINC000357069056 144056612 /nfs/dbraw/zinc/05/66/12/144056612.db2.gz GQYCASCBEBWAGX-UHFFFAOYSA-N 2 2 293.411 0.788 20 0 CCADLP [NH3+]CCOCC[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000357081455 144058348 /nfs/dbraw/zinc/05/83/48/144058348.db2.gz GXGIDICVVZASBC-ZDUSSCGKSA-N 2 2 263.341 0.135 20 0 CCADLP [NH3+]CCOCC[N@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC000357081455 144058349 /nfs/dbraw/zinc/05/83/49/144058349.db2.gz GXGIDICVVZASBC-ZDUSSCGKSA-N 2 2 263.341 0.135 20 0 CCADLP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000357255585 144074953 /nfs/dbraw/zinc/07/49/53/144074953.db2.gz KOSLEPZYDFQCIQ-JSGCOSHPSA-N 2 2 269.389 0.031 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)N[C@H](C)C[NH+](C)C ZINC000357596708 144103243 /nfs/dbraw/zinc/10/32/43/144103243.db2.gz ILKJNZAMXGGDQA-SECBINFHSA-N 2 2 280.328 0.095 20 0 CCADLP CC[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357650614 144109232 /nfs/dbraw/zinc/10/92/32/144109232.db2.gz QEERAVNOALJUNZ-CHWSQXEVSA-N 2 2 285.432 0.678 20 0 CCADLP CC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357650614 144109233 /nfs/dbraw/zinc/10/92/33/144109233.db2.gz QEERAVNOALJUNZ-CHWSQXEVSA-N 2 2 285.432 0.678 20 0 CCADLP CC(C)[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C(=O)N1CCCC1 ZINC000685571315 545838519 /nfs/dbraw/zinc/83/85/19/545838519.db2.gz BODAXVXSHKVBOI-CABCVRRESA-N 2 2 297.443 0.678 20 0 CCADLP CC(C)[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C(=O)N1CCCC1 ZINC000685571315 545838524 /nfs/dbraw/zinc/83/85/24/545838524.db2.gz BODAXVXSHKVBOI-CABCVRRESA-N 2 2 297.443 0.678 20 0 CCADLP C[C@H](C(=O)N1CCC2(CC[NH2+]CC2)CC1)[NH+]1CCOCC1 ZINC000357873886 144128957 /nfs/dbraw/zinc/12/89/57/144128957.db2.gz INYJXVCVCSKCFQ-CQSZACIVSA-N 2 2 295.427 0.699 20 0 CCADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000357905055 144131573 /nfs/dbraw/zinc/13/15/73/144131573.db2.gz CCMNMLKXYVUSJS-KGLIPLIRSA-N 2 2 286.335 0.211 20 0 CCADLP [NH3+]C[C@@H]1CN(Cc2[nH+]ccn2CC(F)(F)F)CCO1 ZINC000357971133 144138696 /nfs/dbraw/zinc/13/86/96/144138696.db2.gz SKKZFIOVABYPOZ-SECBINFHSA-N 2 2 278.278 0.605 20 0 CCADLP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H](C)[N@H+]1C ZINC000358716943 144175340 /nfs/dbraw/zinc/17/53/40/144175340.db2.gz GFAWERVEJANSLT-PHIMTYICSA-N 2 2 280.372 0.901 20 0 CCADLP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H](C)[N@@H+]1C ZINC000358716943 144175341 /nfs/dbraw/zinc/17/53/41/144175341.db2.gz GFAWERVEJANSLT-PHIMTYICSA-N 2 2 280.372 0.901 20 0 CCADLP Cn1cc(N2CC[N@H+](CCC3CC[NH2+]CC3)CC2=O)cn1 ZINC000359208327 144202292 /nfs/dbraw/zinc/20/22/92/144202292.db2.gz BMIQBKWLTBQHJV-UHFFFAOYSA-N 2 2 291.399 0.458 20 0 CCADLP Cn1cc(N2CC[N@@H+](CCC3CC[NH2+]CC3)CC2=O)cn1 ZINC000359208327 144202294 /nfs/dbraw/zinc/20/22/94/144202294.db2.gz BMIQBKWLTBQHJV-UHFFFAOYSA-N 2 2 291.399 0.458 20 0 CCADLP CN(C)c1ncc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cn1 ZINC000368229338 144213461 /nfs/dbraw/zinc/21/34/61/144213461.db2.gz SJDDQMNBRLTOQJ-NSHDSACASA-N 2 2 272.356 0.913 20 0 CCADLP CN(C)c1ncc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cn1 ZINC000368229338 144213462 /nfs/dbraw/zinc/21/34/62/144213462.db2.gz SJDDQMNBRLTOQJ-NSHDSACASA-N 2 2 272.356 0.913 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cnsn3)C2)CC1 ZINC000369276955 144260830 /nfs/dbraw/zinc/26/08/30/144260830.db2.gz JNVIZUJUXVCQJE-SNVBAGLBSA-N 2 2 295.412 0.436 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cnsn3)C2)CC1 ZINC000369276955 144260832 /nfs/dbraw/zinc/26/08/32/144260832.db2.gz JNVIZUJUXVCQJE-SNVBAGLBSA-N 2 2 295.412 0.436 20 0 CCADLP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CCN(c2cccc[nH+]2)CC1 ZINC000369804462 144280200 /nfs/dbraw/zinc/28/02/00/144280200.db2.gz GTBYLDLCBBJIOY-XJKSGUPXSA-N 2 2 286.379 0.730 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000370484709 144304701 /nfs/dbraw/zinc/30/47/01/144304701.db2.gz NYFHPJZECXLDOJ-CYBMUJFWSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000370484709 144304703 /nfs/dbraw/zinc/30/47/03/144304703.db2.gz NYFHPJZECXLDOJ-CYBMUJFWSA-N 2 2 269.389 0.260 20 0 CCADLP O[C@H](CN1CCOCC1)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000372169902 144356101 /nfs/dbraw/zinc/35/61/01/144356101.db2.gz QAPSZKWBSZXDPJ-AWEZNQCLSA-N 2 2 294.399 0.282 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000372955252 144387216 /nfs/dbraw/zinc/38/72/16/144387216.db2.gz XKFUOJQGNMXULV-CQSZACIVSA-N 2 2 291.399 0.122 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000372955252 144387218 /nfs/dbraw/zinc/38/72/18/144387218.db2.gz XKFUOJQGNMXULV-CQSZACIVSA-N 2 2 291.399 0.122 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](N2CCOCC2)C1 ZINC000394602776 397517037 /nfs/dbraw/zinc/51/70/37/397517037.db2.gz PYJDYRFCTIRTLU-JKSUJKDBSA-N 2 2 299.459 0.484 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](N2CCOCC2)C1 ZINC000394602776 397517042 /nfs/dbraw/zinc/51/70/42/397517042.db2.gz PYJDYRFCTIRTLU-JKSUJKDBSA-N 2 2 299.459 0.484 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000394602776 397517046 /nfs/dbraw/zinc/51/70/46/397517046.db2.gz PYJDYRFCTIRTLU-JKSUJKDBSA-N 2 2 299.459 0.484 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000394602776 397517051 /nfs/dbraw/zinc/51/70/51/397517051.db2.gz PYJDYRFCTIRTLU-JKSUJKDBSA-N 2 2 299.459 0.484 20 0 CCADLP Cc1ncncc1[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000571938090 397579937 /nfs/dbraw/zinc/57/99/37/397579937.db2.gz ACFPSWGUSLJDEZ-SMDDNHRTSA-N 2 2 291.399 0.775 20 0 CCADLP Cc1ncncc1[C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000571938090 397579939 /nfs/dbraw/zinc/57/99/39/397579939.db2.gz ACFPSWGUSLJDEZ-SMDDNHRTSA-N 2 2 291.399 0.775 20 0 CCADLP COC(=O)CC1(C[NH+]2CCN(C(=O)C[NH+](C)C)CC2)CC1 ZINC000440708001 397547063 /nfs/dbraw/zinc/54/70/63/397547063.db2.gz WWTOTRXIAUCTDH-UHFFFAOYSA-N 2 2 297.399 0.036 20 0 CCADLP OCC1([NH2+]CC2CC2)CCN(CCn2cc[nH+]c2)CC1 ZINC000649624890 397649883 /nfs/dbraw/zinc/64/98/83/397649883.db2.gz KUPUOUOSKIDSBA-UHFFFAOYSA-N 2 2 278.400 0.710 20 0 CCADLP OCC1([NH2+]CC2CC2)CC[NH+](CCn2ccnc2)CC1 ZINC000649624890 397649886 /nfs/dbraw/zinc/64/98/86/397649886.db2.gz KUPUOUOSKIDSBA-UHFFFAOYSA-N 2 2 278.400 0.710 20 0 CCADLP Cc1cnccc1CC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649684744 397655225 /nfs/dbraw/zinc/65/52/25/397655225.db2.gz AFAFYHJAIHIHHC-UHFFFAOYSA-N 2 2 290.411 0.638 20 0 CCADLP Cc1cnccc1CC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649684744 397655228 /nfs/dbraw/zinc/65/52/28/397655228.db2.gz AFAFYHJAIHIHHC-UHFFFAOYSA-N 2 2 290.411 0.638 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)N(C)Cc2cnn(C)c2)CC[C@H]1[NH3+] ZINC000649416762 397609716 /nfs/dbraw/zinc/60/97/16/397609716.db2.gz KUSZTKYWSXGBAW-ZIAGYGMSSA-N 2 2 293.415 0.438 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)N(C)Cc2cnn(C)c2)CC[C@H]1[NH3+] ZINC000649416762 397609719 /nfs/dbraw/zinc/60/97/19/397609719.db2.gz KUSZTKYWSXGBAW-ZIAGYGMSSA-N 2 2 293.415 0.438 20 0 CCADLP CC[C@@H]1C[N@@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)CC[C@@H]1[NH3+] ZINC000649416825 397609846 /nfs/dbraw/zinc/60/98/46/397609846.db2.gz MYJJFMNZEBMZFI-XBFCOCLRSA-N 2 2 291.399 0.585 20 0 CCADLP CC[C@@H]1C[N@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)CC[C@@H]1[NH3+] ZINC000649416825 397609847 /nfs/dbraw/zinc/60/98/47/397609847.db2.gz MYJJFMNZEBMZFI-XBFCOCLRSA-N 2 2 291.399 0.585 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](Cc2cc3n(n2)CCC3)CC1 ZINC000649565625 397636578 /nfs/dbraw/zinc/63/65/78/397636578.db2.gz OCFFXRITYSQMCV-UHFFFAOYSA-N 2 2 286.383 0.885 20 0 CCADLP O=C1CC[C@@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)N1 ZINC000649600431 397644334 /nfs/dbraw/zinc/64/43/34/397644334.db2.gz IJMXSUFQFNKOMH-KBPBESRZSA-N 2 2 281.400 0.309 20 0 CCADLP O=C1CC[C@@H](C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)N1 ZINC000649600431 397644335 /nfs/dbraw/zinc/64/43/35/397644335.db2.gz IJMXSUFQFNKOMH-KBPBESRZSA-N 2 2 281.400 0.309 20 0 CCADLP O=C1CC[C@@H](C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)N1 ZINC000649601228 397644419 /nfs/dbraw/zinc/64/44/19/397644419.db2.gz IJMXSUFQFNKOMH-KGLIPLIRSA-N 2 2 281.400 0.309 20 0 CCADLP O=C1CC[C@@H](C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)N1 ZINC000649601228 397644420 /nfs/dbraw/zinc/64/44/20/397644420.db2.gz IJMXSUFQFNKOMH-KGLIPLIRSA-N 2 2 281.400 0.309 20 0 CCADLP CC[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H](CC)CO1 ZINC000649722989 397660291 /nfs/dbraw/zinc/66/02/91/397660291.db2.gz WZFOBGPXTCAREF-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H](CC)CO1 ZINC000649722989 397660292 /nfs/dbraw/zinc/66/02/92/397660292.db2.gz WZFOBGPXTCAREF-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C2(CCC2)CO1 ZINC000649824905 397671018 /nfs/dbraw/zinc/67/10/18/397671018.db2.gz OHCYBHOWVVWEGG-ZDUSSCGKSA-N 2 2 281.400 0.404 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C2(CCC2)CO1 ZINC000649824905 397671020 /nfs/dbraw/zinc/67/10/20/397671020.db2.gz OHCYBHOWVVWEGG-ZDUSSCGKSA-N 2 2 281.400 0.404 20 0 CCADLP [NH3+]CC1(CC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000650748438 397753309 /nfs/dbraw/zinc/75/33/09/397753309.db2.gz UIABJDFCQHJTKI-CHWSQXEVSA-N 3 2 253.390 0.472 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C[N@@H+]1C1CC1 ZINC000548256769 286020426 /nfs/dbraw/zinc/02/04/26/286020426.db2.gz BWRUONSTZGGZRT-GHMZBOCLSA-N 2 2 262.357 0.704 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C[N@H+]1C1CC1 ZINC000548256769 286020427 /nfs/dbraw/zinc/02/04/27/286020427.db2.gz BWRUONSTZGGZRT-GHMZBOCLSA-N 2 2 262.357 0.704 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420390005 286094108 /nfs/dbraw/zinc/09/41/08/286094108.db2.gz XUGZNJMDAYYTSG-AWEZNQCLSA-N 2 2 269.389 0.215 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420390005 286094110 /nfs/dbraw/zinc/09/41/10/286094110.db2.gz XUGZNJMDAYYTSG-AWEZNQCLSA-N 2 2 269.389 0.215 20 0 CCADLP C[N@H+](CC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCSC1 ZINC000551921744 286136697 /nfs/dbraw/zinc/13/66/97/286136697.db2.gz JROPPPPUEQFAAV-GHMZBOCLSA-N 2 2 294.424 0.821 20 0 CCADLP C[N@@H+](CC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCSC1 ZINC000551921744 286136698 /nfs/dbraw/zinc/13/66/98/286136698.db2.gz JROPPPPUEQFAAV-GHMZBOCLSA-N 2 2 294.424 0.821 20 0 CCADLP C[N@H+](CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCSC1 ZINC000551921744 286136700 /nfs/dbraw/zinc/13/67/00/286136700.db2.gz JROPPPPUEQFAAV-GHMZBOCLSA-N 2 2 294.424 0.821 20 0 CCADLP C[N@@H+](CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCSC1 ZINC000551921744 286136702 /nfs/dbraw/zinc/13/67/02/286136702.db2.gz JROPPPPUEQFAAV-GHMZBOCLSA-N 2 2 294.424 0.821 20 0 CCADLP C[C@H]1C[NH+](CCCNC(=O)C[NH+]2CC(C)(C)C2)C[C@H](C)O1 ZINC000553255402 286186835 /nfs/dbraw/zinc/18/68/35/286186835.db2.gz BOYRZJQPOCDSIO-KBPBESRZSA-N 2 2 297.443 0.944 20 0 CCADLP Cc1cc(NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc[nH+]1 ZINC000659005075 413253494 /nfs/dbraw/zinc/25/34/94/413253494.db2.gz JYHDXCUFECXVBH-GHMZBOCLSA-N 2 2 252.293 0.715 20 0 CCADLP Cc1cc(NC(=O)NCC23CC(C2)C[NH2+]3)c(C)c[nH+]1 ZINC000659005902 413254709 /nfs/dbraw/zinc/25/47/09/413254709.db2.gz VRNMALBHETUSQF-UHFFFAOYSA-N 2 2 260.341 0.994 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000659024838 413259772 /nfs/dbraw/zinc/25/97/72/413259772.db2.gz LCXVTZUCIUUFOW-SSDOTTSWSA-N 2 2 265.239 0.441 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000659024838 413259778 /nfs/dbraw/zinc/25/97/78/413259778.db2.gz LCXVTZUCIUUFOW-SSDOTTSWSA-N 2 2 265.239 0.441 20 0 CCADLP CCn1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])n1 ZINC000659032999 413260513 /nfs/dbraw/zinc/26/05/13/413260513.db2.gz PGBFJKHEUZVKIJ-JTQLQIEISA-N 2 2 266.349 0.010 20 0 CCADLP CCn1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])n1 ZINC000659032999 413260520 /nfs/dbraw/zinc/26/05/20/413260520.db2.gz PGBFJKHEUZVKIJ-JTQLQIEISA-N 2 2 266.349 0.010 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000659086213 413276638 /nfs/dbraw/zinc/27/66/38/413276638.db2.gz RRMGUSOQJXTXQI-SNVBAGLBSA-N 2 2 289.339 0.387 20 0 CCADLP C[C@@H](CCNC(=O)C(=O)Nc1ccc(N)[nH+]c1)[NH+](C)C ZINC000659095085 413280210 /nfs/dbraw/zinc/28/02/10/413280210.db2.gz XSPXCYDFVVGOBX-VIFPVBQESA-N 2 2 279.344 0.059 20 0 CCADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659097327 413283706 /nfs/dbraw/zinc/28/37/06/413283706.db2.gz LRXDAYXLTVLVMJ-LBPRGKRZSA-N 2 2 299.334 0.289 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000311944047 292361937 /nfs/dbraw/zinc/36/19/37/292361937.db2.gz WQSQNLTWUBLCCR-RWMBFGLXSA-N 2 2 269.389 0.211 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000311944047 292361938 /nfs/dbraw/zinc/36/19/38/292361938.db2.gz WQSQNLTWUBLCCR-RWMBFGLXSA-N 2 2 269.389 0.211 20 0 CCADLP CC(C)[NH2+]CC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000659287273 413374660 /nfs/dbraw/zinc/37/46/60/413374660.db2.gz YJSPHAKODFHPNE-CYBMUJFWSA-N 2 2 271.405 0.457 20 0 CCADLP CC[C@@H](C(=O)NCC1([NH+]2CCOCC2)CC1)[NH+](C)C ZINC000434380210 286737682 /nfs/dbraw/zinc/73/76/82/286737682.db2.gz QFMNGLAPKGXZGI-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC000136167699 286848461 /nfs/dbraw/zinc/84/84/61/286848461.db2.gz NSMWGDUXCPVGMS-AWEZNQCLSA-N 2 2 283.416 0.555 20 0 CCADLP Cc1nc(C[N@H+](C)CCN2CC[NH2+]CC2)oc1C ZINC000071150578 411694713 /nfs/dbraw/zinc/69/47/13/411694713.db2.gz MDQPZEHKEGCJDG-UHFFFAOYSA-N 2 2 252.362 0.628 20 0 CCADLP Cc1nc(C[N@@H+](C)CCN2CC[NH2+]CC2)oc1C ZINC000071150578 411694716 /nfs/dbraw/zinc/69/47/16/411694716.db2.gz MDQPZEHKEGCJDG-UHFFFAOYSA-N 2 2 252.362 0.628 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CC[C@@]2(O)CCOC2)C[N@@H+]1C1CC1 ZINC000404136317 411792158 /nfs/dbraw/zinc/79/21/58/411792158.db2.gz CPSGNDRDKLDFDC-YRGRVCCFSA-N 2 2 254.374 0.743 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CC[C@@]2(O)CCOC2)C[N@H+]1C1CC1 ZINC000404136317 411792162 /nfs/dbraw/zinc/79/21/62/411792162.db2.gz CPSGNDRDKLDFDC-YRGRVCCFSA-N 2 2 254.374 0.743 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(C)(OC)CC1 ZINC000311482707 411749802 /nfs/dbraw/zinc/74/98/02/411749802.db2.gz RPCLIIGRSRRZAV-ZDUSSCGKSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C)(OC)CC1 ZINC000311482707 411749806 /nfs/dbraw/zinc/74/98/06/411749806.db2.gz RPCLIIGRSRRZAV-ZDUSSCGKSA-N 2 2 274.405 0.426 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)[C@H]1CCCOC1 ZINC000356893130 411767704 /nfs/dbraw/zinc/76/77/04/411767704.db2.gz IFPGJFFJMRAJRN-IHRRRGAJSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)[C@H]1CCCOC1 ZINC000356893130 411767712 /nfs/dbraw/zinc/76/77/12/411767712.db2.gz IFPGJFFJMRAJRN-IHRRRGAJSA-N 2 2 283.416 0.731 20 0 CCADLP CCO[C@@H]1C[N@H+](CC(=O)N[C@H](C)C(C)C)C[C@H]1C[NH3+] ZINC000405498751 411803961 /nfs/dbraw/zinc/80/39/61/411803961.db2.gz BVLYAEVKAJUSNU-JHJVBQTASA-N 2 2 271.405 0.443 20 0 CCADLP CCO[C@@H]1C[N@@H+](CC(=O)N[C@H](C)C(C)C)C[C@H]1C[NH3+] ZINC000405498751 411803964 /nfs/dbraw/zinc/80/39/64/411803964.db2.gz BVLYAEVKAJUSNU-JHJVBQTASA-N 2 2 271.405 0.443 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cnnn1-c1ccccc1 ZINC000651739129 411926736 /nfs/dbraw/zinc/92/67/36/411926736.db2.gz JUPVBJCXLPIWKH-HNNXBMFYSA-N 2 2 289.383 0.670 20 0 CCADLP [NH3+]CC1(CCNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000652193496 412000472 /nfs/dbraw/zinc/00/04/72/412000472.db2.gz KWSGVRRTHUXIBU-SNVBAGLBSA-N 2 2 277.372 0.695 20 0 CCADLP [NH3+]CC1(CCNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000652193496 412000475 /nfs/dbraw/zinc/00/04/75/412000475.db2.gz KWSGVRRTHUXIBU-SNVBAGLBSA-N 2 2 277.372 0.695 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)NCCC1CC[NH2+]CC1 ZINC000652313026 412025514 /nfs/dbraw/zinc/02/55/14/412025514.db2.gz HFFWQMUDDHIMDE-UHFFFAOYSA-N 2 2 298.431 0.350 20 0 CCADLP COCc1noc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1 ZINC000652352719 412035771 /nfs/dbraw/zinc/03/57/71/412035771.db2.gz QXWWHAMPTGARAJ-GWCFXTLKSA-N 2 2 266.345 0.777 20 0 CCADLP COCc1noc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1 ZINC000652352719 412035775 /nfs/dbraw/zinc/03/57/75/412035775.db2.gz QXWWHAMPTGARAJ-GWCFXTLKSA-N 2 2 266.345 0.777 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@@H]1CCC[NH2+]C1 ZINC000653046333 412199972 /nfs/dbraw/zinc/19/99/72/412199972.db2.gz UXBNMQYONDORSV-GFCCVEGCSA-N 2 2 276.384 0.878 20 0 CCADLP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653054249 412201970 /nfs/dbraw/zinc/20/19/70/412201970.db2.gz HZDWECQHSGENFM-SMDDNHRTSA-N 3 2 278.400 0.602 20 0 CCADLP CCc1nnc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)s1 ZINC000653057780 412205043 /nfs/dbraw/zinc/20/50/43/412205043.db2.gz QDPPNSBYVGDVLU-SSDOTTSWSA-N 2 2 257.363 0.318 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCCN1CCCCCC1=O ZINC000653059824 412205422 /nfs/dbraw/zinc/20/54/22/412205422.db2.gz OYQOPCYUKUSDGK-ZDUSSCGKSA-N 2 2 298.431 0.174 20 0 CCADLP Cc1cc(C)n(CCCNC(=O)[C@H]([NH3+])CC[NH+](C)C)n1 ZINC000653058284 412206026 /nfs/dbraw/zinc/20/60/26/412206026.db2.gz MJEVXLYCBMFNPY-CYBMUJFWSA-N 2 2 281.404 0.285 20 0 CCADLP COc1ccc(C)cc1CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653061729 412206402 /nfs/dbraw/zinc/20/64/02/412206402.db2.gz ZWTDAMWGPBXRIT-AWEZNQCLSA-N 2 2 293.411 0.941 20 0 CCADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653070221 412208858 /nfs/dbraw/zinc/20/88/58/412208858.db2.gz OICAFSBNNQXZKL-MCIONIFRSA-N 2 2 285.432 0.977 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCc1cc(F)cc(F)c1 ZINC000653081356 412211852 /nfs/dbraw/zinc/21/18/52/412211852.db2.gz MDADOGGFTSOFFL-ZDUSSCGKSA-N 2 2 285.338 0.903 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000652908938 412156956 /nfs/dbraw/zinc/15/69/56/412156956.db2.gz OBDFBSQWWNEEDD-UHFFFAOYSA-N 2 2 276.344 0.657 20 0 CCADLP CCOC[C@H]1CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653090641 412214045 /nfs/dbraw/zinc/21/40/45/412214045.db2.gz WDRCYPBIHUAMJW-QWHCGFSZSA-N 2 2 271.405 0.541 20 0 CCADLP CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@@H]1CCCOC1 ZINC000653249096 412267472 /nfs/dbraw/zinc/26/74/72/412267472.db2.gz OOSYDLVTPZQLMF-NEPJUHHUSA-N 2 2 257.378 0.293 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C2(CCC2)CO1 ZINC000653253932 412271497 /nfs/dbraw/zinc/27/14/97/412271497.db2.gz DTJOXEGABTYADS-NEPJUHHUSA-N 2 2 269.389 0.435 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000653096667 412217626 /nfs/dbraw/zinc/21/76/26/412217626.db2.gz SESDWJGOCHHCOE-WUHRBBMRSA-N 2 2 283.416 0.585 20 0 CCADLP CO[C@]1(C)C[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1(C)C ZINC000653102103 412218385 /nfs/dbraw/zinc/21/83/85/412218385.db2.gz NWUOLPXTJFFJTF-UHIISALHSA-N 2 2 271.405 0.585 20 0 CCADLP CC[NH+]1CCC(N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653107945 412221771 /nfs/dbraw/zinc/22/17/71/412221771.db2.gz CUQKZPYQYPPNGW-CYBMUJFWSA-N 3 2 270.421 0.208 20 0 CCADLP CC[NH+]1CCC(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653112363 412224564 /nfs/dbraw/zinc/22/45/64/412224564.db2.gz WKEFJXRJSDWGTJ-ZDUSSCGKSA-N 3 2 270.421 0.114 20 0 CCADLP COc1cc[nH+]cc1NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653114443 412225969 /nfs/dbraw/zinc/22/59/69/412225969.db2.gz IJSJXHCFVVBRFG-ZANVPECISA-N 2 2 263.297 0.265 20 0 CCADLP Cc1csc([C@@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C)n1 ZINC000653116435 412226343 /nfs/dbraw/zinc/22/63/43/412226343.db2.gz GWMSORZHCKRCQK-NXEZZACHSA-N 2 2 270.402 0.908 20 0 CCADLP COc1cccnc1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653113761 412226395 /nfs/dbraw/zinc/22/63/95/412226395.db2.gz NIKISIFSDALNDH-SECBINFHSA-N 2 2 252.318 0.308 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CCO1 ZINC000653114398 412226664 /nfs/dbraw/zinc/22/66/64/412226664.db2.gz GQZSEMYBFSMAKD-UONOGXRCSA-N 2 2 295.427 0.744 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CCO1 ZINC000653114398 412226668 /nfs/dbraw/zinc/22/66/68/412226668.db2.gz GQZSEMYBFSMAKD-UONOGXRCSA-N 2 2 295.427 0.744 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H]1CCC[NH2+]CC1)[NH+]1CCOCC1 ZINC000653117878 412228449 /nfs/dbraw/zinc/22/84/49/412228449.db2.gz YCKBVHKTKNMTAS-BFHYXJOUSA-N 2 2 283.416 0.602 20 0 CCADLP CC[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1nccs1 ZINC000653121575 412228937 /nfs/dbraw/zinc/22/89/37/412228937.db2.gz ZDBVPEPOUQVPOW-ZJUUUORDSA-N 2 2 270.402 0.989 20 0 CCADLP CC[NH+]1CCC(CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653119836 412230049 /nfs/dbraw/zinc/23/00/49/412230049.db2.gz YFSWVOYXTXJXEZ-AWEZNQCLSA-N 3 2 284.448 0.504 20 0 CCADLP CCC[N@H+](CC)CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653122939 412231434 /nfs/dbraw/zinc/23/14/34/412231434.db2.gz ILWQFDKPFOADRN-LBPRGKRZSA-N 3 2 258.410 0.114 20 0 CCADLP CCC[N@@H+](CC)CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653122939 412231437 /nfs/dbraw/zinc/23/14/37/412231437.db2.gz ILWQFDKPFOADRN-LBPRGKRZSA-N 3 2 258.410 0.114 20 0 CCADLP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000653138242 412237674 /nfs/dbraw/zinc/23/76/74/412237674.db2.gz PKXMNVCEIZJYDU-WOPDTQHZSA-N 2 2 268.336 0.993 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000653142394 412239369 /nfs/dbraw/zinc/23/93/69/412239369.db2.gz JPCHQQJJKJTNHA-QWRGUYRKSA-N 2 2 280.347 0.578 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653144827 412240406 /nfs/dbraw/zinc/24/04/06/412240406.db2.gz HJSSQJLZUYJKPE-SNVBAGLBSA-N 2 2 250.346 0.615 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCCc2cccc(O)c21 ZINC000653148069 412241773 /nfs/dbraw/zinc/24/17/73/412241773.db2.gz NEPLRSIGENSZIX-GFCCVEGCSA-N 2 2 277.368 0.950 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653149175 412242242 /nfs/dbraw/zinc/24/22/42/412242242.db2.gz ZCLXIDKFHJVNSY-ZIAGYGMSSA-N 2 2 281.400 0.308 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCCN(CC(F)F)CC1 ZINC000653158978 412246473 /nfs/dbraw/zinc/24/64/73/412246473.db2.gz QLMSYOHMZSQUHM-LLVKDONJSA-N 2 2 292.374 0.065 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCOc2cccc(F)c2C1 ZINC000653160702 412247110 /nfs/dbraw/zinc/24/71/10/412247110.db2.gz STPBCBCYJFBKID-ZDUSSCGKSA-N 2 2 295.358 0.826 20 0 CCADLP C[C@@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)CC(F)F ZINC000653167434 412249663 /nfs/dbraw/zinc/24/96/63/412249663.db2.gz UWNNSHOPCIBSOC-RKDXNWHRSA-N 2 2 251.321 0.673 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000653499305 412307857 /nfs/dbraw/zinc/30/78/57/412307857.db2.gz FSBPQYSIOWVINC-UONOGXRCSA-N 2 2 296.415 0.528 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000653499305 412307860 /nfs/dbraw/zinc/30/78/60/412307860.db2.gz FSBPQYSIOWVINC-UONOGXRCSA-N 2 2 296.415 0.528 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000653499305 412307862 /nfs/dbraw/zinc/30/78/62/412307862.db2.gz FSBPQYSIOWVINC-UONOGXRCSA-N 2 2 296.415 0.528 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000653499305 412307865 /nfs/dbraw/zinc/30/78/65/412307865.db2.gz FSBPQYSIOWVINC-UONOGXRCSA-N 2 2 296.415 0.528 20 0 CCADLP Cn1nccc1CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000653644834 412328957 /nfs/dbraw/zinc/32/89/57/412328957.db2.gz SEURIHMSWIVOMW-UHFFFAOYSA-N 2 2 260.345 0.508 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC([C@@H](C)CO)CC1 ZINC000653779170 412346975 /nfs/dbraw/zinc/34/69/75/412346975.db2.gz ORIBNMOWROODEV-GXTWGEPZSA-N 2 2 258.406 0.639 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC([C@@H](C)CO)CC1 ZINC000653779170 412346979 /nfs/dbraw/zinc/34/69/79/412346979.db2.gz ORIBNMOWROODEV-GXTWGEPZSA-N 2 2 258.406 0.639 20 0 CCADLP O[C@@H]1C[C@H]2CN(Cc3c[nH+]c4ccccn34)CC[N@@H+]2C1 ZINC000653829165 412354690 /nfs/dbraw/zinc/35/46/90/412354690.db2.gz BHDXPJMWXGHQDS-GXTWGEPZSA-N 2 2 272.352 0.585 20 0 CCADLP O[C@@H]1C[C@H]2CN(Cc3c[nH+]c4ccccn34)CC[N@H+]2C1 ZINC000653829165 412354695 /nfs/dbraw/zinc/35/46/95/412354695.db2.gz BHDXPJMWXGHQDS-GXTWGEPZSA-N 2 2 272.352 0.585 20 0 CCADLP COCC[NH2+]CCNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000418509369 292560948 /nfs/dbraw/zinc/56/09/48/292560948.db2.gz OKEKGYCZHOFBNW-GFCCVEGCSA-N 2 2 295.387 0.882 20 0 CCADLP CC1(C)C[NH+](CC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000654749342 412435575 /nfs/dbraw/zinc/43/55/75/412435575.db2.gz KLSBLFWXFGHSDO-UONOGXRCSA-N 2 2 295.427 0.386 20 0 CCADLP C[NH+](C)CCn1ccc(C(=O)NCCc2[nH]cc[nH+]2)n1 ZINC000654767576 412436649 /nfs/dbraw/zinc/43/66/49/412436649.db2.gz DDVXSJCIIZIJNW-UHFFFAOYSA-N 2 2 276.344 0.140 20 0 CCADLP CN(C)[C@H](C(=O)NCC[N@H+]1CC=CCC1)c1c[nH+]cn1C ZINC000655043760 412466819 /nfs/dbraw/zinc/46/68/19/412466819.db2.gz IXIIFTDXQNJPJP-AWEZNQCLSA-N 2 2 291.399 0.401 20 0 CCADLP CN(C)[C@H](C(=O)NCC[N@@H+]1CC=CCC1)c1c[nH+]cn1C ZINC000655043760 412466820 /nfs/dbraw/zinc/46/68/20/412466820.db2.gz IXIIFTDXQNJPJP-AWEZNQCLSA-N 2 2 291.399 0.401 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1(C)C ZINC000655051794 412469077 /nfs/dbraw/zinc/46/90/77/412469077.db2.gz OWEBOXYGFQMJIL-LBPRGKRZSA-N 2 2 276.384 0.998 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1(C)C ZINC000655051794 412469079 /nfs/dbraw/zinc/46/90/79/412469079.db2.gz OWEBOXYGFQMJIL-LBPRGKRZSA-N 2 2 276.384 0.998 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NCC1([NH3+])CCCC1 ZINC000659449526 413510979 /nfs/dbraw/zinc/51/09/79/413510979.db2.gz IHIMVQWORDVUON-UHFFFAOYSA-N 2 2 251.334 0.491 20 0 CCADLP CCC[NH2+]CCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659525457 413598761 /nfs/dbraw/zinc/59/87/61/413598761.db2.gz QZYIPBDVXKRGOU-CYBMUJFWSA-N 2 2 284.404 0.102 20 0 CCADLP C[C@H](CCC[NH3+])NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659554568 413648395 /nfs/dbraw/zinc/64/83/95/413648395.db2.gz ULNNJGGVAJKWKT-CHWSQXEVSA-N 2 2 284.404 0.230 20 0 CCADLP C[C@H](C[NH3+])NC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000659530246 413609837 /nfs/dbraw/zinc/60/98/37/413609837.db2.gz HDQMTZUAMYYLOM-GFCCVEGCSA-N 2 2 284.404 0.087 20 0 CCADLP O=C(NCC12CC(C1)C[NH2+]2)N1CCC(n2cc[nH+]c2)CC1 ZINC000659617818 413715711 /nfs/dbraw/zinc/71/57/11/413715711.db2.gz JFDKJIWEAMWIOH-UHFFFAOYSA-N 2 2 289.383 0.982 20 0 CCADLP C[C@H](NC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)c1[nH+]ccn1C ZINC000659628011 413724287 /nfs/dbraw/zinc/72/42/87/413724287.db2.gz JTSWLUNIZSCFBB-GARJFASQSA-N 2 2 265.361 0.860 20 0 CCADLP CCC[N@H+](C)C[C@H]1CC[NH+](CCN2C(=O)CN(C)C2=O)C1 ZINC000659982384 414015390 /nfs/dbraw/zinc/01/53/90/414015390.db2.gz LNQYLUQEQLRAIZ-CYBMUJFWSA-N 2 2 296.415 0.544 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CCN2C(=O)CN(C)C2=O)C1 ZINC000659982384 414015400 /nfs/dbraw/zinc/01/54/00/414015400.db2.gz LNQYLUQEQLRAIZ-CYBMUJFWSA-N 2 2 296.415 0.544 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000659982384 414015408 /nfs/dbraw/zinc/01/54/08/414015408.db2.gz LNQYLUQEQLRAIZ-CYBMUJFWSA-N 2 2 296.415 0.544 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000659982384 414015418 /nfs/dbraw/zinc/01/54/18/414015418.db2.gz LNQYLUQEQLRAIZ-CYBMUJFWSA-N 2 2 296.415 0.544 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+]2CCC([NH3+])CC2)C[C@@H](C)O1 ZINC000037408999 173184274 /nfs/dbraw/zinc/18/42/74/173184274.db2.gz NUFRKKHOAGWNES-GHMZBOCLSA-N 2 2 255.362 0.045 20 0 CCADLP CCN1OC[C@H]([N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1=O ZINC000660129523 414139608 /nfs/dbraw/zinc/13/96/08/414139608.db2.gz QXODOIWFCRBLKZ-QWRGUYRKSA-N 2 2 264.329 0.372 20 0 CCADLP CCN1OC[C@H]([N@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1=O ZINC000660129523 414139617 /nfs/dbraw/zinc/13/96/17/414139617.db2.gz QXODOIWFCRBLKZ-QWRGUYRKSA-N 2 2 264.329 0.372 20 0 CCADLP CCN1OC[C@H]([N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000660078277 414093454 /nfs/dbraw/zinc/09/34/54/414093454.db2.gz TWBLBLPDZKWOPP-QWRGUYRKSA-N 2 2 264.329 0.751 20 0 CCADLP CCN1OC[C@H]([N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000660078277 414093460 /nfs/dbraw/zinc/09/34/60/414093460.db2.gz TWBLBLPDZKWOPP-QWRGUYRKSA-N 2 2 264.329 0.751 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](N2CCCC2=O)C1 ZINC000660149323 414160726 /nfs/dbraw/zinc/16/07/26/414160726.db2.gz WWVZJUKAEQEMFN-UONOGXRCSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](N2CCCC2=O)C1 ZINC000660149323 414160734 /nfs/dbraw/zinc/16/07/34/414160734.db2.gz WWVZJUKAEQEMFN-UONOGXRCSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000660149323 414160742 /nfs/dbraw/zinc/16/07/42/414160742.db2.gz WWVZJUKAEQEMFN-UONOGXRCSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000660149323 414160748 /nfs/dbraw/zinc/16/07/48/414160748.db2.gz WWVZJUKAEQEMFN-UONOGXRCSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000660279797 414222119 /nfs/dbraw/zinc/22/21/19/414222119.db2.gz FFHZWXVIPNVJEW-KGLIPLIRSA-N 2 2 298.431 0.223 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000660279797 414222129 /nfs/dbraw/zinc/22/21/29/414222129.db2.gz FFHZWXVIPNVJEW-KGLIPLIRSA-N 2 2 298.431 0.223 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000660279797 414222137 /nfs/dbraw/zinc/22/21/37/414222137.db2.gz FFHZWXVIPNVJEW-KGLIPLIRSA-N 2 2 298.431 0.223 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000660279797 414222144 /nfs/dbraw/zinc/22/21/44/414222144.db2.gz FFHZWXVIPNVJEW-KGLIPLIRSA-N 2 2 298.431 0.223 20 0 CCADLP COCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@H]1CCOC1 ZINC000660433315 414316302 /nfs/dbraw/zinc/31/63/02/414316302.db2.gz YYPNWRVRGIPAGP-KBPBESRZSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@H]1CCOC1 ZINC000660433315 414316308 /nfs/dbraw/zinc/31/63/08/414316308.db2.gz YYPNWRVRGIPAGP-KBPBESRZSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)[C@H]1CCOC1 ZINC000660433315 414316312 /nfs/dbraw/zinc/31/63/12/414316312.db2.gz YYPNWRVRGIPAGP-KBPBESRZSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)[C@H]1CCOC1 ZINC000660433315 414316318 /nfs/dbraw/zinc/31/63/18/414316318.db2.gz YYPNWRVRGIPAGP-KBPBESRZSA-N 2 2 274.405 0.425 20 0 CCADLP COC[C@@H](C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)OC ZINC000660474540 414345411 /nfs/dbraw/zinc/34/54/11/414345411.db2.gz JPHWNPWRNWSLNW-LSDHHAIUSA-N 2 2 286.416 0.835 20 0 CCADLP COC[C@@H](C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)OC ZINC000660474540 414345418 /nfs/dbraw/zinc/34/54/18/414345418.db2.gz JPHWNPWRNWSLNW-LSDHHAIUSA-N 2 2 286.416 0.835 20 0 CCADLP O=C(C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)N1CCCC1 ZINC000660469057 414346041 /nfs/dbraw/zinc/34/60/41/414346041.db2.gz OBOKONNZQUIMSX-HNNXBMFYSA-N 2 2 295.427 0.796 20 0 CCADLP O=C(C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)N1CCCC1 ZINC000660469057 414346048 /nfs/dbraw/zinc/34/60/48/414346048.db2.gz OBOKONNZQUIMSX-HNNXBMFYSA-N 2 2 295.427 0.796 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000660453878 414332568 /nfs/dbraw/zinc/33/25/68/414332568.db2.gz SDOGUUOCFKOIPF-RBSFLKMASA-N 2 2 286.416 0.567 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000660453878 414332572 /nfs/dbraw/zinc/33/25/72/414332572.db2.gz SDOGUUOCFKOIPF-RBSFLKMASA-N 2 2 286.416 0.567 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000660453878 414332575 /nfs/dbraw/zinc/33/25/75/414332575.db2.gz SDOGUUOCFKOIPF-RBSFLKMASA-N 2 2 286.416 0.567 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000660453878 414332581 /nfs/dbraw/zinc/33/25/81/414332581.db2.gz SDOGUUOCFKOIPF-RBSFLKMASA-N 2 2 286.416 0.567 20 0 CCADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)NC1CC1)C2 ZINC000660654014 414428116 /nfs/dbraw/zinc/42/81/16/414428116.db2.gz XQADITHKBHVWFN-AWEZNQCLSA-N 2 2 251.374 0.683 20 0 CCADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)NC1CC1)C2 ZINC000660654014 414428120 /nfs/dbraw/zinc/42/81/20/414428120.db2.gz XQADITHKBHVWFN-AWEZNQCLSA-N 2 2 251.374 0.683 20 0 CCADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC(=O)NC1CC1)C2 ZINC000660654014 414428124 /nfs/dbraw/zinc/42/81/24/414428124.db2.gz XQADITHKBHVWFN-AWEZNQCLSA-N 2 2 251.374 0.683 20 0 CCADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC(=O)NC1CC1)C2 ZINC000660654014 414428126 /nfs/dbraw/zinc/42/81/26/414428126.db2.gz XQADITHKBHVWFN-AWEZNQCLSA-N 2 2 251.374 0.683 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N(C)CC1C[NH+](C)C1)[NH+]1CCOCC1 ZINC000660708131 414456557 /nfs/dbraw/zinc/45/65/57/414456557.db2.gz VQNUMWKVLDWXDH-QWHCGFSZSA-N 2 2 298.431 0.299 20 0 CCADLP COCC[N@H+](C)CCNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660585360 414399861 /nfs/dbraw/zinc/39/98/61/414399861.db2.gz QHSYYBZQDCRQSO-UHFFFAOYSA-N 2 2 269.349 0.129 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660585360 414399866 /nfs/dbraw/zinc/39/98/66/414399866.db2.gz QHSYYBZQDCRQSO-UHFFFAOYSA-N 2 2 269.349 0.129 20 0 CCADLP COCC[N@H+](C)CCNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660585360 414399868 /nfs/dbraw/zinc/39/98/68/414399868.db2.gz QHSYYBZQDCRQSO-UHFFFAOYSA-N 2 2 269.349 0.129 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660585360 414399872 /nfs/dbraw/zinc/39/98/72/414399872.db2.gz QHSYYBZQDCRQSO-UHFFFAOYSA-N 2 2 269.349 0.129 20 0 CCADLP C[C@@H](NC(=O)N[C@H]1CCC[N@H+](C)C1)c1[nH+]ccn1C ZINC000660835386 414499629 /nfs/dbraw/zinc/49/96/29/414499629.db2.gz FHBXUPGREOELHL-MNOVXSKESA-N 2 2 265.361 0.875 20 0 CCADLP C[C@@H](NC(=O)N[C@H]1CCC[N@@H+](C)C1)c1[nH+]ccn1C ZINC000660835386 414499633 /nfs/dbraw/zinc/49/96/33/414499633.db2.gz FHBXUPGREOELHL-MNOVXSKESA-N 2 2 265.361 0.875 20 0 CCADLP CO[C@@]1(CO)CCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000661386016 414609934 /nfs/dbraw/zinc/60/99/34/414609934.db2.gz BZMHMLNUUFGUQL-ZDUSSCGKSA-N 2 2 253.346 0.436 20 0 CCADLP CO[C@@]1(CO)CCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000661386016 414609937 /nfs/dbraw/zinc/60/99/37/414609937.db2.gz BZMHMLNUUFGUQL-ZDUSSCGKSA-N 2 2 253.346 0.436 20 0 CCADLP CC[NH+]1CCC(NC(=O)CN(C)Cc2c[nH]c[nH+]2)CC1 ZINC000661085008 414554509 /nfs/dbraw/zinc/55/45/09/414554509.db2.gz XFNFSQACGXCAHW-UHFFFAOYSA-N 2 2 279.388 0.442 20 0 CCADLP COc1ccccc1C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030995 174023342 /nfs/dbraw/zinc/02/33/42/174023342.db2.gz KMPALCHUGOJUMK-UHFFFAOYSA-N 2 2 277.368 0.559 20 0 CCADLP COc1ccccc1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030995 174023343 /nfs/dbraw/zinc/02/33/43/174023343.db2.gz KMPALCHUGOJUMK-UHFFFAOYSA-N 2 2 277.368 0.559 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000038030986 174023862 /nfs/dbraw/zinc/02/38/62/174023862.db2.gz XWGWTTNRVPNINL-UHFFFAOYSA-N 2 2 265.332 0.689 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000038030986 174023863 /nfs/dbraw/zinc/02/38/63/174023863.db2.gz XWGWTTNRVPNINL-UHFFFAOYSA-N 2 2 265.332 0.689 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+](C)CC1=CCCOC1)C1CC1 ZINC000661654080 414660118 /nfs/dbraw/zinc/66/01/18/414660118.db2.gz WETXONKBFJBXPN-CQSZACIVSA-N 2 2 254.374 0.720 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+](C)CC1=CCCOC1)C1CC1 ZINC000661654080 414660119 /nfs/dbraw/zinc/66/01/19/414660119.db2.gz WETXONKBFJBXPN-CQSZACIVSA-N 2 2 254.374 0.720 20 0 CCADLP C[NH+](CC1=CCCOC1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000661654080 414660122 /nfs/dbraw/zinc/66/01/22/414660122.db2.gz WETXONKBFJBXPN-CQSZACIVSA-N 2 2 254.374 0.720 20 0 CCADLP C[NH+](CC1=CCCOC1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000661654080 414660124 /nfs/dbraw/zinc/66/01/24/414660124.db2.gz WETXONKBFJBXPN-CQSZACIVSA-N 2 2 254.374 0.720 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CCF)C1 ZINC000661689911 414664065 /nfs/dbraw/zinc/66/40/65/414664065.db2.gz LSNSXPSFAWRDIY-KBPBESRZSA-N 2 2 276.396 0.997 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CCF)C1 ZINC000661689911 414664068 /nfs/dbraw/zinc/66/40/68/414664068.db2.gz LSNSXPSFAWRDIY-KBPBESRZSA-N 2 2 276.396 0.997 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000661689911 414664070 /nfs/dbraw/zinc/66/40/70/414664070.db2.gz LSNSXPSFAWRDIY-KBPBESRZSA-N 2 2 276.396 0.997 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](CCF)C1 ZINC000661689911 414664073 /nfs/dbraw/zinc/66/40/73/414664073.db2.gz LSNSXPSFAWRDIY-KBPBESRZSA-N 2 2 276.396 0.997 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2C[NH2+]CCO2)C[C@H]1c1ccccc1 ZINC000662272804 414703504 /nfs/dbraw/zinc/70/35/04/414703504.db2.gz QJPLZZAWHBPCIL-PMPSAXMXSA-N 3 2 275.396 0.649 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]CCO2)C[C@H]1c1ccccc1 ZINC000662272804 414703505 /nfs/dbraw/zinc/70/35/05/414703505.db2.gz QJPLZZAWHBPCIL-PMPSAXMXSA-N 3 2 275.396 0.649 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC000662277259 414704623 /nfs/dbraw/zinc/70/46/23/414704623.db2.gz OJEPEWSHVCJSNL-MDZLAQPJSA-N 2 2 280.420 0.947 20 0 CCADLP CCc1nnc([C@H](C)[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)[nH]1 ZINC000662276727 414704644 /nfs/dbraw/zinc/70/46/44/414704644.db2.gz PEMPRWPCPKWRQO-NWDGAFQWSA-N 2 2 278.404 0.408 20 0 CCADLP CCc1nnc([C@H](C)[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)[nH]1 ZINC000662276727 414704645 /nfs/dbraw/zinc/70/46/45/414704645.db2.gz PEMPRWPCPKWRQO-NWDGAFQWSA-N 2 2 278.404 0.408 20 0 CCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)Nc1ccc(F)c(F)c1 ZINC000662285881 414706850 /nfs/dbraw/zinc/70/68/50/414706850.db2.gz KRXXBECDMZXFLA-UHFFFAOYSA-N 2 2 299.321 0.607 20 0 CCADLP Cc1ccccc1CCC[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000662288899 414707224 /nfs/dbraw/zinc/70/72/24/414707224.db2.gz UFRXEXLEFITPNP-OAHLLOKOSA-N 2 2 266.385 0.542 20 0 CCADLP Cc1ccccc1CCC[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000662288899 414707225 /nfs/dbraw/zinc/70/72/25/414707225.db2.gz UFRXEXLEFITPNP-OAHLLOKOSA-N 2 2 266.385 0.542 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)n1 ZINC000662310206 414708667 /nfs/dbraw/zinc/70/86/67/414708667.db2.gz HVYURWSTCGQGFR-TVQRCGJNSA-N 2 2 266.345 0.732 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@H+]2C[C@H]3COC[C@@]3(C)C2)n1 ZINC000662310206 414708668 /nfs/dbraw/zinc/70/86/68/414708668.db2.gz HVYURWSTCGQGFR-TVQRCGJNSA-N 2 2 266.345 0.732 20 0 CCADLP Cc1cnn(CC[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000662152781 414694562 /nfs/dbraw/zinc/69/45/62/414694562.db2.gz ZRTZNRJHRQOAMJ-OAHLLOKOSA-N 2 2 278.400 0.723 20 0 CCADLP Cc1cnn(CC[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000662152781 414694563 /nfs/dbraw/zinc/69/45/63/414694563.db2.gz ZRTZNRJHRQOAMJ-OAHLLOKOSA-N 2 2 278.400 0.723 20 0 CCADLP C[C@H](O)C[N@@H+](Cc1ccccc1)C[C@H]1C[NH2+]CCO1 ZINC000662251600 414699458 /nfs/dbraw/zinc/69/94/58/414699458.db2.gz GFKGFPZEHYORKF-DZGCQCFKSA-N 2 2 264.369 0.858 20 0 CCADLP C[C@H](O)C[N@H+](Cc1ccccc1)C[C@H]1C[NH2+]CCO1 ZINC000662251600 414699459 /nfs/dbraw/zinc/69/94/59/414699459.db2.gz GFKGFPZEHYORKF-DZGCQCFKSA-N 2 2 264.369 0.858 20 0 CCADLP O=C([C@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1)N1CCCC1 ZINC000662254489 414700144 /nfs/dbraw/zinc/70/01/44/414700144.db2.gz IVGYDIOBZVRFHS-UONOGXRCSA-N 2 2 281.400 0.309 20 0 CCADLP O=C([C@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1)N1CCCC1 ZINC000662254489 414700145 /nfs/dbraw/zinc/70/01/45/414700145.db2.gz IVGYDIOBZVRFHS-UONOGXRCSA-N 2 2 281.400 0.309 20 0 CCADLP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662256084 414700689 /nfs/dbraw/zinc/70/06/89/414700689.db2.gz FTDOLPFMHWQGTK-ZNMIVQPWSA-N 2 2 297.443 0.992 20 0 CCADLP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662256084 414700690 /nfs/dbraw/zinc/70/06/90/414700690.db2.gz FTDOLPFMHWQGTK-ZNMIVQPWSA-N 2 2 297.443 0.992 20 0 CCADLP C[C@@H]([NH3+])C(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000662741091 414751019 /nfs/dbraw/zinc/75/10/19/414751019.db2.gz CFTKHVJMDSRUDK-HIFRSBDPSA-N 2 2 290.411 0.266 20 0 CCADLP C[C@@H]([NH3+])C(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000662741091 414751023 /nfs/dbraw/zinc/75/10/23/414751023.db2.gz CFTKHVJMDSRUDK-HIFRSBDPSA-N 2 2 290.411 0.266 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)[C@H]2[NH2+]CCC2(C)C)CC1 ZINC000662743720 414753553 /nfs/dbraw/zinc/75/35/53/414753553.db2.gz LICDBZROIWTTON-CQSZACIVSA-N 2 2 297.443 0.944 20 0 CCADLP C[N@@H+]1CCN(C(=O)c2ccc3c(c2)CCOC3)[C@H](C[NH3+])C1 ZINC000662427692 414717671 /nfs/dbraw/zinc/71/76/71/414717671.db2.gz AQADKPBNWFSCHS-OAHLLOKOSA-N 2 2 289.379 0.474 20 0 CCADLP C[N@H+]1CCN(C(=O)c2ccc3c(c2)CCOC3)[C@H](C[NH3+])C1 ZINC000662427692 414717672 /nfs/dbraw/zinc/71/76/72/414717672.db2.gz AQADKPBNWFSCHS-OAHLLOKOSA-N 2 2 289.379 0.474 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)N3CCO[C@@H]([C@H](C)[NH3+])C3)ccn12 ZINC000662431885 414718005 /nfs/dbraw/zinc/71/80/05/414718005.db2.gz MZCRWSRISONZIN-WCQYABFASA-N 2 2 288.351 0.831 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000662479520 414721866 /nfs/dbraw/zinc/72/18/66/414721866.db2.gz QCQAJZWLIHOCLF-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000662530037 414725809 /nfs/dbraw/zinc/72/58/09/414725809.db2.gz KULDSUYQCVGWAM-MELADBBJSA-N 2 2 283.416 0.744 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000662586167 414730469 /nfs/dbraw/zinc/73/04/69/414730469.db2.gz POWIEOKANLNSOC-TYNCELHUSA-N 2 2 292.383 0.901 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000662586167 414730470 /nfs/dbraw/zinc/73/04/70/414730470.db2.gz POWIEOKANLNSOC-TYNCELHUSA-N 2 2 292.383 0.901 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662595141 414731220 /nfs/dbraw/zinc/73/12/20/414731220.db2.gz XZETXRQAMJLCTM-STQMWFEESA-N 3 2 284.448 0.502 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662595141 414731221 /nfs/dbraw/zinc/73/12/21/414731221.db2.gz XZETXRQAMJLCTM-STQMWFEESA-N 3 2 284.448 0.502 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2[NH2+]CC2(C)C)[C@@H](C)CO1 ZINC000662629609 414734686 /nfs/dbraw/zinc/73/46/86/414734686.db2.gz ANCRTCQEEFZYMO-QJPTWQEYSA-N 2 2 269.389 0.210 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2[NH2+]CC2(C)C)[C@@H](C)CO1 ZINC000662629609 414734687 /nfs/dbraw/zinc/73/46/87/414734687.db2.gz ANCRTCQEEFZYMO-QJPTWQEYSA-N 2 2 269.389 0.210 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000662635033 414735877 /nfs/dbraw/zinc/73/58/77/414735877.db2.gz UGDOSEPYXSBVRH-UTUOFQBUSA-N 2 2 257.378 0.210 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000662635033 414735878 /nfs/dbraw/zinc/73/58/78/414735878.db2.gz UGDOSEPYXSBVRH-UTUOFQBUSA-N 2 2 257.378 0.210 20 0 CCADLP [NH3+][C@@H](C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000662656292 414737666 /nfs/dbraw/zinc/73/76/66/414737666.db2.gz OYWJAGSDTGVZRP-LSDHHAIUSA-N 2 2 289.379 0.620 20 0 CCADLP C[C@@H]1CCC[C@@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)O1 ZINC000662667860 414739335 /nfs/dbraw/zinc/73/93/35/414739335.db2.gz ZITLDJFATALRHC-GRYCIOLGSA-N 2 2 257.378 0.339 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CCc2cc(N)ccc21 ZINC000662670124 414739497 /nfs/dbraw/zinc/73/94/97/414739497.db2.gz DSMLQWGNWGBZKB-KBPBESRZSA-N 2 2 276.384 0.651 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662678910 414740026 /nfs/dbraw/zinc/74/00/26/414740026.db2.gz JYRJWAFMTLSCJB-RYUDHWBXSA-N 2 2 278.356 0.128 20 0 CCADLP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCCCNc1cccc[nH+]1 ZINC000662682230 414740416 /nfs/dbraw/zinc/74/04/16/414740416.db2.gz OXCWZCUBDUARMF-VXGBXAGGSA-N 2 2 278.356 0.364 20 0 CCADLP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000662685235 414741206 /nfs/dbraw/zinc/74/12/06/414741206.db2.gz QROYUJFLKSFJSL-OLZOCXBDSA-N 2 2 292.383 0.242 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C2([NH2+]C3CC3)CCC2)CCO1 ZINC000662701135 414743189 /nfs/dbraw/zinc/74/31/89/414743189.db2.gz MGGNQKZYTLIJAK-GFCCVEGCSA-N 2 2 281.400 0.498 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2([NH2+]C3CC3)CCC2)CCO1 ZINC000662701135 414743190 /nfs/dbraw/zinc/74/31/90/414743190.db2.gz MGGNQKZYTLIJAK-GFCCVEGCSA-N 2 2 281.400 0.498 20 0 CCADLP C[C@H]([C@H](C)NC(=O)CC1([NH3+])CC1)[NH+]1CCOCC1 ZINC000662721193 414746351 /nfs/dbraw/zinc/74/63/51/414746351.db2.gz RLGQTYWYZMEVMW-WDEREUQCSA-N 2 2 255.362 0.093 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)C1(O)C[NH2+]C1)c1c(F)cccc1F ZINC000662733937 414748483 /nfs/dbraw/zinc/74/84/83/414748483.db2.gz LEIVDDQMSBZXTN-LLVKDONJSA-N 2 2 299.321 0.018 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)N3CCCO[C@@H](C[NH3+])C3)ccn12 ZINC000662812682 414812798 /nfs/dbraw/zinc/81/27/98/414812798.db2.gz DXQSKKZPRSVCRE-ZDUSSCGKSA-N 2 2 288.351 0.833 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000662839371 414831633 /nfs/dbraw/zinc/83/16/33/414831633.db2.gz QNTIWBYSJFGZMH-SECBINFHSA-N 2 2 258.272 0.613 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000662839371 414831637 /nfs/dbraw/zinc/83/16/37/414831637.db2.gz QNTIWBYSJFGZMH-SECBINFHSA-N 2 2 258.272 0.613 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000662857296 414849980 /nfs/dbraw/zinc/84/99/80/414849980.db2.gz KMSZQBKZXGXFGA-AWEZNQCLSA-N 3 2 298.475 0.764 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000662857296 414849984 /nfs/dbraw/zinc/84/99/84/414849984.db2.gz KMSZQBKZXGXFGA-AWEZNQCLSA-N 3 2 298.475 0.764 20 0 CCADLP [NH3+]C1(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCCC1 ZINC000662865040 414854303 /nfs/dbraw/zinc/85/43/03/414854303.db2.gz YANVGLQBNCODGT-LLVKDONJSA-N 2 2 262.357 0.833 20 0 CCADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662947002 414911044 /nfs/dbraw/zinc/91/10/44/414911044.db2.gz FSNBPIUEHZCYHQ-LBPRGKRZSA-N 2 2 295.387 0.200 20 0 CCADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000662947002 414911049 /nfs/dbraw/zinc/91/10/49/414911049.db2.gz FSNBPIUEHZCYHQ-LBPRGKRZSA-N 2 2 295.387 0.200 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCO[C@H](CC(F)(F)F)C1 ZINC000662951390 414912639 /nfs/dbraw/zinc/91/26/39/414912639.db2.gz UMOFJXPUBBRBQJ-NXEZZACHSA-N 2 2 297.321 0.445 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000662973309 414927660 /nfs/dbraw/zinc/92/76/60/414927660.db2.gz YIGGJAKTZLDDGM-OAHLLOKOSA-N 3 2 296.459 0.504 20 0 CCADLP Cc1cc2nccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)n2n1 ZINC000662992709 414939142 /nfs/dbraw/zinc/93/91/42/414939142.db2.gz ILXVAKDHBNPLLB-JTQLQIEISA-N 2 2 276.344 0.255 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000662900632 414880885 /nfs/dbraw/zinc/88/08/85/414880885.db2.gz RWEPZPIBYYTGTH-WDEREUQCSA-N 2 2 266.345 0.459 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662903218 414881962 /nfs/dbraw/zinc/88/19/62/414881962.db2.gz XNEDWVSIIKNLHM-AXFHLTTASA-N 2 2 266.345 0.444 20 0 CCADLP CC[C@@H]([NH3+])C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662910087 414885523 /nfs/dbraw/zinc/88/55/23/414885523.db2.gz KGHQNWXMXGSEEB-CYBMUJFWSA-N 2 2 269.389 0.295 20 0 CCADLP C[C@H](NC(=O)C[C@H]1CSCC[NH2+]1)c1[nH+]ccn1C ZINC000662934004 414902265 /nfs/dbraw/zinc/90/22/65/414902265.db2.gz LMXYGAXSHOPAFK-UWVGGRQHSA-N 2 2 268.386 0.692 20 0 CCADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC000663364758 415051433 /nfs/dbraw/zinc/05/14/33/415051433.db2.gz LNLTYPCXXMJCLU-KBPBESRZSA-N 2 2 286.416 0.617 20 0 CCADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC000663364758 415051437 /nfs/dbraw/zinc/05/14/37/415051437.db2.gz LNLTYPCXXMJCLU-KBPBESRZSA-N 2 2 286.416 0.617 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@H]2CCC[NH+](C)C2)[C@@H](C)CO1 ZINC000663775425 415132605 /nfs/dbraw/zinc/13/26/05/415132605.db2.gz XVVZSACDDBROEY-MJBXVCDLSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2CCC[NH+](C)C2)[C@@H](C)CO1 ZINC000663775425 415132613 /nfs/dbraw/zinc/13/26/13/415132613.db2.gz XVVZSACDDBROEY-MJBXVCDLSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@H]2CCC[N@H+](C)C2)[C@@H](C)CO1 ZINC000663775425 415132620 /nfs/dbraw/zinc/13/26/20/415132620.db2.gz XVVZSACDDBROEY-MJBXVCDLSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@H]2CCC[N@@H+](C)C2)[C@@H](C)CO1 ZINC000663775425 415132628 /nfs/dbraw/zinc/13/26/28/415132628.db2.gz XVVZSACDDBROEY-MJBXVCDLSA-N 2 2 298.431 0.489 20 0 CCADLP COc1c(N)[nH+]cnc1NCC[N@H+](C)CCC[NH+](C)C ZINC000664246283 415299242 /nfs/dbraw/zinc/29/92/42/415299242.db2.gz XOUPMNQEEIZTAL-UHFFFAOYSA-N 3 2 282.392 0.363 20 0 CCADLP COc1c(N)[nH+]cnc1NCC[N@@H+](C)CCC[NH+](C)C ZINC000664246283 415299249 /nfs/dbraw/zinc/29/92/49/415299249.db2.gz XOUPMNQEEIZTAL-UHFFFAOYSA-N 3 2 282.392 0.363 20 0 CCADLP CO[C@@]1(C)C[C@H]1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000664540056 415413327 /nfs/dbraw/zinc/41/33/27/415413327.db2.gz TZFMQZFUHSKDAF-HIFRSBDPSA-N 2 2 298.431 0.489 20 0 CCADLP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000664719766 415456494 /nfs/dbraw/zinc/45/64/94/415456494.db2.gz YMAQUNYYAHYFJO-GFCCVEGCSA-N 3 2 272.437 0.502 20 0 CCADLP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000664719766 415456499 /nfs/dbraw/zinc/45/64/99/415456499.db2.gz YMAQUNYYAHYFJO-GFCCVEGCSA-N 3 2 272.437 0.502 20 0 CCADLP C[C@@H](CNC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)[NH+](C)C ZINC000665044029 415516139 /nfs/dbraw/zinc/51/61/39/415516139.db2.gz PGEUQNWVSNDNGU-YNEHKIRRSA-N 2 2 286.420 0.345 20 0 CCADLP C[C@@H](CNC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)[NH+](C)C ZINC000665044029 415516145 /nfs/dbraw/zinc/51/61/45/415516145.db2.gz PGEUQNWVSNDNGU-YNEHKIRRSA-N 2 2 286.420 0.345 20 0 CCADLP C[C@@H](CNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C)[NH+](C)C ZINC000665044027 415517027 /nfs/dbraw/zinc/51/70/27/415517027.db2.gz PGEUQNWVSNDNGU-XQQFMLRXSA-N 2 2 286.420 0.345 20 0 CCADLP C[C@@H](CNC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C)[NH+](C)C ZINC000665044027 415517032 /nfs/dbraw/zinc/51/70/32/415517032.db2.gz PGEUQNWVSNDNGU-XQQFMLRXSA-N 2 2 286.420 0.345 20 0 CCADLP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1nnnn1-c1ccccc1 ZINC000665238485 415572353 /nfs/dbraw/zinc/57/23/53/415572353.db2.gz ZITHNIUXCCEGIL-DGCLKSJQSA-N 2 2 272.356 0.879 20 0 CCADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000665298187 415591436 /nfs/dbraw/zinc/59/14/36/415591436.db2.gz TXRIDLNHLOJZGK-YGRLFVJLSA-N 2 2 297.424 0.909 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](CCN2C(=O)c3ccccc3C2=O)C1 ZINC000071145899 176041638 /nfs/dbraw/zinc/04/16/38/176041638.db2.gz NYUFHASRGCYLRG-LBPRGKRZSA-N 2 2 287.363 0.824 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](CCN2C(=O)c3ccccc3C2=O)C1 ZINC000071145899 176041640 /nfs/dbraw/zinc/04/16/40/176041640.db2.gz NYUFHASRGCYLRG-LBPRGKRZSA-N 2 2 287.363 0.824 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000353451967 287317774 /nfs/dbraw/zinc/31/77/74/287317774.db2.gz QCLZZTAWNNQCJB-STQMWFEESA-N 2 2 283.416 0.602 20 0 CCADLP C[C@H](NC(=O)C(C)(C)C[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000167688877 299027655 /nfs/dbraw/zinc/02/76/55/299027655.db2.gz MFGCLZPDOVCTJU-QWRGUYRKSA-N 2 2 257.378 0.197 20 0 CCADLP CCn1nncc1C[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000417892492 227062826 /nfs/dbraw/zinc/06/28/26/227062826.db2.gz CYIAQWYXSGDIGA-AWEZNQCLSA-N 2 2 281.404 0.480 20 0 CCADLP C[C@@H]1COCCN1CC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000192726646 227274663 /nfs/dbraw/zinc/27/46/63/227274663.db2.gz PLLQJCCCEMBZKJ-HUUCEWRRSA-N 2 2 269.433 0.981 20 0 CCADLP C[C@@H]1COCCN1CC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000192726646 227274670 /nfs/dbraw/zinc/27/46/70/227274670.db2.gz PLLQJCCCEMBZKJ-HUUCEWRRSA-N 2 2 269.433 0.981 20 0 CCADLP C[C@@H]1COCCN1CC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000192726646 227274674 /nfs/dbraw/zinc/27/46/74/227274674.db2.gz PLLQJCCCEMBZKJ-HUUCEWRRSA-N 2 2 269.433 0.981 20 0 CCADLP C[C@@H]1COCCN1CC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000192726646 227274679 /nfs/dbraw/zinc/27/46/79/227274679.db2.gz PLLQJCCCEMBZKJ-HUUCEWRRSA-N 2 2 269.433 0.981 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCN(C)C[C@@H]1CCC[NH+](C)C1 ZINC000192726646 227274681 /nfs/dbraw/zinc/27/46/81/227274681.db2.gz PLLQJCCCEMBZKJ-HUUCEWRRSA-N 2 2 269.433 0.981 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCN(C)C[C@@H]1CCC[NH+](C)C1 ZINC000192726646 227274686 /nfs/dbraw/zinc/27/46/86/227274686.db2.gz PLLQJCCCEMBZKJ-HUUCEWRRSA-N 2 2 269.433 0.981 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000192726646 227274692 /nfs/dbraw/zinc/27/46/92/227274692.db2.gz PLLQJCCCEMBZKJ-HUUCEWRRSA-N 2 2 269.433 0.981 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000192726646 227274695 /nfs/dbraw/zinc/27/46/95/227274695.db2.gz PLLQJCCCEMBZKJ-HUUCEWRRSA-N 2 2 269.433 0.981 20 0 CCADLP COc1ccc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000020046044 544419003 /nfs/dbraw/zinc/41/90/03/544419003.db2.gz VCPJPZUZGGPYCV-UHFFFAOYSA-N 2 2 277.368 0.559 20 0 CCADLP C[C@@H](C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)[NH+](C)C ZINC000078753417 544470280 /nfs/dbraw/zinc/47/02/80/544470280.db2.gz USLBBDQDAXCKDT-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CC(C)([NH3+])CC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000084182169 544490812 /nfs/dbraw/zinc/49/08/12/544490812.db2.gz RQCTYDOQHOSRFY-UHFFFAOYSA-N 2 2 276.384 0.853 20 0 CCADLP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000088276519 544504957 /nfs/dbraw/zinc/50/49/57/544504957.db2.gz BQFJYPXZLPNMRZ-KGLIPLIRSA-N 2 2 285.432 0.834 20 0 CCADLP CCc1cc(N2CCC[N@H+](CCO)CC2)nc(C)[nH+]1 ZINC000088760740 544510606 /nfs/dbraw/zinc/51/06/06/544510606.db2.gz OVOLWZSNXGQBJN-UHFFFAOYSA-N 2 2 264.373 0.852 20 0 CCADLP CCc1cc(N2CCC[N@@H+](CCO)CC2)nc(C)[nH+]1 ZINC000088760740 544510610 /nfs/dbraw/zinc/51/06/10/544510610.db2.gz OVOLWZSNXGQBJN-UHFFFAOYSA-N 2 2 264.373 0.852 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111244117 544561212 /nfs/dbraw/zinc/56/12/12/544561212.db2.gz ZFACDEXFOWSTEV-MWLCHTKSSA-N 2 2 290.289 0.930 20 0 CCADLP Cc1nc(NCCC[N@@H+]2CCCO[C@H](C)C2)nc(N)[nH+]1 ZINC000631247708 419478345 /nfs/dbraw/zinc/47/83/45/419478345.db2.gz GPPWGMQZMWOSQH-SNVBAGLBSA-N 2 2 280.376 0.097 20 0 CCADLP Cc1nc(NCCC[N@H+]2CCCO[C@H](C)C2)nc(N)[nH+]1 ZINC000631247708 419478353 /nfs/dbraw/zinc/47/83/53/419478353.db2.gz GPPWGMQZMWOSQH-SNVBAGLBSA-N 2 2 280.376 0.097 20 0 CCADLP Cc1nc(N)nc(NCCC[N@@H+]2CCCO[C@H](C)C2)[nH+]1 ZINC000631247708 419478362 /nfs/dbraw/zinc/47/83/62/419478362.db2.gz GPPWGMQZMWOSQH-SNVBAGLBSA-N 2 2 280.376 0.097 20 0 CCADLP Cc1nc(N)nc(NCCC[N@H+]2CCCO[C@H](C)C2)[nH+]1 ZINC000631247708 419478369 /nfs/dbraw/zinc/47/83/69/419478369.db2.gz GPPWGMQZMWOSQH-SNVBAGLBSA-N 2 2 280.376 0.097 20 0 CCADLP C[C@@H](c1nc(N)nc(N(C)C)n1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838128 419489763 /nfs/dbraw/zinc/48/97/63/419489763.db2.gz JFNFOYZBWYOBJM-KXUCPTDWSA-N 2 2 279.392 0.107 20 0 CCADLP C[C@@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838128 419489768 /nfs/dbraw/zinc/48/97/68/419489768.db2.gz JFNFOYZBWYOBJM-KXUCPTDWSA-N 2 2 279.392 0.107 20 0 CCADLP COC[C@H](O)C[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000126282874 544594940 /nfs/dbraw/zinc/59/49/40/544594940.db2.gz VAKIMCNFASYBMZ-GXTWGEPZSA-N 2 2 272.389 0.179 20 0 CCADLP COC[C@H](O)C[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000126282874 544594945 /nfs/dbraw/zinc/59/49/45/544594945.db2.gz VAKIMCNFASYBMZ-GXTWGEPZSA-N 2 2 272.389 0.179 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)C2([NH3+])CCCC2)CCO1 ZINC000178744353 544748179 /nfs/dbraw/zinc/74/81/79/544748179.db2.gz PBCHBBOKXNYKER-UHFFFAOYSA-N 2 2 269.389 0.485 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)C2([NH3+])CCCC2)CCO1 ZINC000178744353 544748182 /nfs/dbraw/zinc/74/81/82/544748182.db2.gz PBCHBBOKXNYKER-UHFFFAOYSA-N 2 2 269.389 0.485 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1ccc(CO)cc1 ZINC000227574488 544836032 /nfs/dbraw/zinc/83/60/32/544836032.db2.gz MIOKVGRDRMGDHN-HNNXBMFYSA-N 2 2 263.385 0.514 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1ccc(CO)cc1 ZINC000227574488 544836039 /nfs/dbraw/zinc/83/60/39/544836039.db2.gz MIOKVGRDRMGDHN-HNNXBMFYSA-N 2 2 263.385 0.514 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225891282 544828096 /nfs/dbraw/zinc/82/80/96/544828096.db2.gz FPGPDCLCKYVMGZ-ZNMIVQPWSA-N 2 2 297.443 0.992 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225891282 544828099 /nfs/dbraw/zinc/82/80/99/544828099.db2.gz FPGPDCLCKYVMGZ-ZNMIVQPWSA-N 2 2 297.443 0.992 20 0 CCADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000229100444 544847827 /nfs/dbraw/zinc/84/78/27/544847827.db2.gz IKPCARWNZFCGSN-SNVBAGLBSA-N 2 2 256.371 0.788 20 0 CCADLP Nc1nc(NC[C@H]2C[NH2+]CCO2)[nH+]c2ccccc12 ZINC000519755181 420388586 /nfs/dbraw/zinc/38/85/86/420388586.db2.gz ZVGCLOJFHXYINH-SECBINFHSA-N 2 2 259.313 0.034 20 0 CCADLP CCc1nc(CN2CC[N@H+](C)C[C@H]2C[NH3+])cs1 ZINC000250274103 544921790 /nfs/dbraw/zinc/92/17/90/544921790.db2.gz VCSGVGINDNLREW-LLVKDONJSA-N 2 2 254.403 0.780 20 0 CCADLP CCc1nc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])cs1 ZINC000250274103 544921794 /nfs/dbraw/zinc/92/17/94/544921794.db2.gz VCSGVGINDNLREW-LLVKDONJSA-N 2 2 254.403 0.780 20 0 CCADLP C[C@H]1CCC[N@H+](CCN2C(=O)CCC2=O)[C@H]1C[NH3+] ZINC000252131038 544928587 /nfs/dbraw/zinc/92/85/87/544928587.db2.gz KUMUTPSXYWDFCL-QWRGUYRKSA-N 2 2 253.346 0.195 20 0 CCADLP C[C@H]1CCC[N@@H+](CCN2C(=O)CCC2=O)[C@H]1C[NH3+] ZINC000252131038 544928590 /nfs/dbraw/zinc/92/85/90/544928590.db2.gz KUMUTPSXYWDFCL-QWRGUYRKSA-N 2 2 253.346 0.195 20 0 CCADLP CCC[NH+]1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000280560299 544959739 /nfs/dbraw/zinc/95/97/39/544959739.db2.gz QFTZVVZXXFIESD-UHFFFAOYSA-N 2 2 250.346 0.897 20 0 CCADLP CCC[NH+]1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000280560299 544959744 /nfs/dbraw/zinc/95/97/44/544959744.db2.gz QFTZVVZXXFIESD-UHFFFAOYSA-N 2 2 250.346 0.897 20 0 CCADLP CN(CC[N@H+](C)C1CC1)C(=O)CCc1c[nH+]c[nH]1 ZINC000281655564 544961423 /nfs/dbraw/zinc/96/14/23/544961423.db2.gz RXFHHGHFFKJPEJ-UHFFFAOYSA-N 2 2 250.346 0.895 20 0 CCADLP CN(CC[N@@H+](C)C1CC1)C(=O)CCc1c[nH+]c[nH]1 ZINC000281655564 544961427 /nfs/dbraw/zinc/96/14/27/544961427.db2.gz RXFHHGHFFKJPEJ-UHFFFAOYSA-N 2 2 250.346 0.895 20 0 CCADLP CN(CC[N@H+](C)C1CC1)C(=O)CCc1c[nH]c[nH+]1 ZINC000281655564 544961430 /nfs/dbraw/zinc/96/14/30/544961430.db2.gz RXFHHGHFFKJPEJ-UHFFFAOYSA-N 2 2 250.346 0.895 20 0 CCADLP CN(CC[N@@H+](C)C1CC1)C(=O)CCc1c[nH]c[nH+]1 ZINC000281655564 544961435 /nfs/dbraw/zinc/96/14/35/544961435.db2.gz RXFHHGHFFKJPEJ-UHFFFAOYSA-N 2 2 250.346 0.895 20 0 CCADLP CC(C)n1cc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)nn1 ZINC000342234593 545056506 /nfs/dbraw/zinc/05/65/06/545056506.db2.gz PYLYIWQXDDZCPU-UHFFFAOYSA-N 2 2 294.403 0.113 20 0 CCADLP COC[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000220145396 274050089 /nfs/dbraw/zinc/05/00/89/274050089.db2.gz BWPVJRGDKHKQNY-UONOGXRCSA-N 2 2 277.368 0.475 20 0 CCADLP COC[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000220145396 274050090 /nfs/dbraw/zinc/05/00/90/274050090.db2.gz BWPVJRGDKHKQNY-UONOGXRCSA-N 2 2 277.368 0.475 20 0 CCADLP Nc1c(N[C@@H]2CCC[C@@H]([NH3+])C2)[nH+]cnc1-n1cccn1 ZINC000420235715 274964261 /nfs/dbraw/zinc/96/42/61/274964261.db2.gz IWDBJZGPZNQPJL-NXEZZACHSA-N 2 2 273.344 0.926 20 0 CCADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[NH+](C2CC2)CC1 ZINC000336610872 275009061 /nfs/dbraw/zinc/00/90/61/275009061.db2.gz OKTLODNOCZMEEP-LBPRGKRZSA-N 2 2 274.368 0.752 20 0 CCADLP CC(C)[C@H](O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365894662 276023446 /nfs/dbraw/zinc/02/34/46/276023446.db2.gz JWFWDBDRVBIITI-GJZGRUSLSA-N 2 2 297.443 0.630 20 0 CCADLP CC(C)[C@H](O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365894662 276023448 /nfs/dbraw/zinc/02/34/48/276023448.db2.gz JWFWDBDRVBIITI-GJZGRUSLSA-N 2 2 297.443 0.630 20 0 CCADLP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000355151584 276044265 /nfs/dbraw/zinc/04/42/65/276044265.db2.gz QIGGWEYIEMPNOM-KBPBESRZSA-N 2 2 282.432 0.269 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCN2CCN(C(C)=O)CC2)C1 ZINC000343274413 276251406 /nfs/dbraw/zinc/25/14/06/276251406.db2.gz ASSYQVODNSSFME-DZGCQCFKSA-N 2 2 282.432 0.080 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCN2CCN(C(C)=O)CC2)C1 ZINC000343274413 276251407 /nfs/dbraw/zinc/25/14/07/276251407.db2.gz ASSYQVODNSSFME-DZGCQCFKSA-N 2 2 282.432 0.080 20 0 CCADLP CCC[C@@H]1C(=O)NCC[N@H+]1CCc1c[nH+]cn1C ZINC000459375566 276273171 /nfs/dbraw/zinc/27/31/71/276273171.db2.gz QFZBSYHMFBPKSJ-GFCCVEGCSA-N 2 2 250.346 0.563 20 0 CCADLP CCC[C@@H]1C(=O)NCC[N@@H+]1CCc1c[nH+]cn1C ZINC000459375566 276273172 /nfs/dbraw/zinc/27/31/72/276273172.db2.gz QFZBSYHMFBPKSJ-GFCCVEGCSA-N 2 2 250.346 0.563 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377195028 276279726 /nfs/dbraw/zinc/27/97/26/276279726.db2.gz CKWNXLJKWSPDEW-XJKSGUPXSA-N 3 2 296.459 0.789 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377195028 276279727 /nfs/dbraw/zinc/27/97/27/276279727.db2.gz CKWNXLJKWSPDEW-XJKSGUPXSA-N 3 2 296.459 0.789 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000414981538 276932139 /nfs/dbraw/zinc/93/21/39/276932139.db2.gz XSBZVZXDAKTQAW-KBUPBQIOSA-N 3 2 266.433 0.400 20 0 CCADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2C)[C@H]1C ZINC000354332775 277065667 /nfs/dbraw/zinc/06/56/67/277065667.db2.gz VYQNOTXLOGCEED-XQLPTFJDSA-N 2 2 297.443 0.800 20 0 CCADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)[C@H]1C ZINC000354332775 277065668 /nfs/dbraw/zinc/06/56/68/277065668.db2.gz VYQNOTXLOGCEED-XQLPTFJDSA-N 2 2 297.443 0.800 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C2CC2)CC1 ZINC000375830711 277090157 /nfs/dbraw/zinc/09/01/57/277090157.db2.gz LDCSUPDICJRLTR-ZDUSSCGKSA-N 2 2 251.374 0.635 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2C2CC2)CC1 ZINC000375830711 277090159 /nfs/dbraw/zinc/09/01/59/277090159.db2.gz LDCSUPDICJRLTR-ZDUSSCGKSA-N 2 2 251.374 0.635 20 0 CCADLP COCC[N@H+](C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000131968904 277213509 /nfs/dbraw/zinc/21/35/09/277213509.db2.gz OCVCLKFQDWCRTC-LBPRGKRZSA-N 2 2 280.372 0.140 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000131968904 277213510 /nfs/dbraw/zinc/21/35/10/277213510.db2.gz OCVCLKFQDWCRTC-LBPRGKRZSA-N 2 2 280.372 0.140 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000362690810 288086736 /nfs/dbraw/zinc/08/67/36/288086736.db2.gz GJSXGLORSSSCMW-OLZOCXBDSA-N 2 2 283.416 0.411 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000362690810 288086739 /nfs/dbraw/zinc/08/67/39/288086739.db2.gz GJSXGLORSSSCMW-OLZOCXBDSA-N 2 2 283.416 0.411 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000362690810 288086740 /nfs/dbraw/zinc/08/67/40/288086740.db2.gz GJSXGLORSSSCMW-OLZOCXBDSA-N 2 2 283.416 0.411 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000362690810 288086743 /nfs/dbraw/zinc/08/67/43/288086743.db2.gz GJSXGLORSSSCMW-OLZOCXBDSA-N 2 2 283.416 0.411 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCC(=O)N[C@H]1[C@@H]1CCCO1 ZINC000353580187 288091332 /nfs/dbraw/zinc/09/13/32/288091332.db2.gz WJNMCEHHPMJVFL-DGMCESFYSA-N 2 2 281.400 0.352 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCC(=O)N[C@H]1[C@@H]1CCCO1 ZINC000353580187 288091333 /nfs/dbraw/zinc/09/13/33/288091333.db2.gz WJNMCEHHPMJVFL-DGMCESFYSA-N 2 2 281.400 0.352 20 0 CCADLP CC(C)C[C@@H](CNC(=O)[C@]12C[C@H]1CC[NH2+]2)[NH+]1CCOCC1 ZINC000423312819 278988380 /nfs/dbraw/zinc/98/83/80/278988380.db2.gz DTIDTVJEZOOFLV-YCPHGPKFSA-N 2 2 295.427 0.602 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCCN(c2ccnn2C)C1 ZINC000447065137 288092646 /nfs/dbraw/zinc/09/26/46/288092646.db2.gz FPIAMOACQJAILY-RDBSUJKOSA-N 2 2 277.416 0.929 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCCN(c2ccnn2C)C1 ZINC000447065137 288092648 /nfs/dbraw/zinc/09/26/48/288092648.db2.gz FPIAMOACQJAILY-RDBSUJKOSA-N 2 2 277.416 0.929 20 0 CCADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC000072858390 279040116 /nfs/dbraw/zinc/04/01/16/279040116.db2.gz ALADOYVMVIZEFQ-QWHCGFSZSA-N 2 2 298.431 0.883 20 0 CCADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC000072858390 279040119 /nfs/dbraw/zinc/04/01/19/279040119.db2.gz ALADOYVMVIZEFQ-QWHCGFSZSA-N 2 2 298.431 0.883 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC000072858390 279040121 /nfs/dbraw/zinc/04/01/21/279040121.db2.gz ALADOYVMVIZEFQ-QWHCGFSZSA-N 2 2 298.431 0.883 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC000072858390 279040123 /nfs/dbraw/zinc/04/01/23/279040123.db2.gz ALADOYVMVIZEFQ-QWHCGFSZSA-N 2 2 298.431 0.883 20 0 CCADLP CC[N@H+](CCNC(=O)CCn1cc[nH+]c1)C1CC1 ZINC000338452180 279192282 /nfs/dbraw/zinc/19/22/82/279192282.db2.gz SAZFPGREIZNCGM-UHFFFAOYSA-N 2 2 250.346 0.874 20 0 CCADLP CC[N@@H+](CCNC(=O)CCn1cc[nH+]c1)C1CC1 ZINC000338452180 279192284 /nfs/dbraw/zinc/19/22/84/279192284.db2.gz SAZFPGREIZNCGM-UHFFFAOYSA-N 2 2 250.346 0.874 20 0 CCADLP C[C@H](CO)[N@H+](CC(=O)N1CC[NH+](C)CC1)C1CCCC1 ZINC000357624447 279357362 /nfs/dbraw/zinc/35/73/62/279357362.db2.gz VQWHNUBPPIAKIA-CYBMUJFWSA-N 2 2 283.416 0.386 20 0 CCADLP C[C@H](CO)[N@@H+](CC(=O)N1CC[NH+](C)CC1)C1CCCC1 ZINC000357624447 279357363 /nfs/dbraw/zinc/35/73/63/279357363.db2.gz VQWHNUBPPIAKIA-CYBMUJFWSA-N 2 2 283.416 0.386 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2CCCOCC2)C[C@H]1[NH+]1CCOCC1 ZINC000361309181 288170051 /nfs/dbraw/zinc/17/00/51/288170051.db2.gz NVERTMMTNWFCQK-HZPDHXFCSA-N 2 2 297.443 0.361 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2CCCOCC2)C[C@H]1[NH+]1CCOCC1 ZINC000361309181 288170053 /nfs/dbraw/zinc/17/00/53/288170053.db2.gz NVERTMMTNWFCQK-HZPDHXFCSA-N 2 2 297.443 0.361 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000423931379 280123855 /nfs/dbraw/zinc/12/38/55/280123855.db2.gz MCACUMAXRMQHHV-XQHKEYJVSA-N 2 2 269.389 0.291 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000423931379 280123857 /nfs/dbraw/zinc/12/38/57/280123857.db2.gz MCACUMAXRMQHHV-XQHKEYJVSA-N 2 2 269.389 0.291 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@@H+]1CCOCC1(C)C)[NH+](C)C ZINC000359260429 280171284 /nfs/dbraw/zinc/17/12/84/280171284.db2.gz CIVZZSZMYATHAM-CYBMUJFWSA-N 2 2 285.432 0.800 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@H+]1CCOCC1(C)C)[NH+](C)C ZINC000359260429 280171285 /nfs/dbraw/zinc/17/12/85/280171285.db2.gz CIVZZSZMYATHAM-CYBMUJFWSA-N 2 2 285.432 0.800 20 0 CCADLP CC[C@@H]1C(=O)N(CC)CC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261821261 280224658 /nfs/dbraw/zinc/22/46/58/280224658.db2.gz IJRDPSFRTSKARG-QWHCGFSZSA-N 2 2 253.390 0.929 20 0 CCADLP CC[C@@H]1C(=O)N(CC)CC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261821261 280224660 /nfs/dbraw/zinc/22/46/60/280224660.db2.gz IJRDPSFRTSKARG-QWHCGFSZSA-N 2 2 253.390 0.929 20 0 CCADLP O=C1NCC[C@@H]1[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000245668543 280290378 /nfs/dbraw/zinc/29/03/78/280290378.db2.gz BSCVSACIQJHUAU-OLZOCXBDSA-N 2 2 251.374 0.683 20 0 CCADLP O=C1NCC[C@@H]1[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000245668543 280290379 /nfs/dbraw/zinc/29/03/79/280290379.db2.gz BSCVSACIQJHUAU-OLZOCXBDSA-N 2 2 251.374 0.683 20 0 CCADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000423390790 280396703 /nfs/dbraw/zinc/39/67/03/280396703.db2.gz KMFMEEJQJAJVFI-WDEREUQCSA-N 2 2 285.413 0.949 20 0 CCADLP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCC[N@@H+]1CCNC(=O)C1 ZINC000357659002 282024142 /nfs/dbraw/zinc/02/41/42/282024142.db2.gz OSLKPDOZEQDBHU-GFCCVEGCSA-N 2 2 298.431 0.091 20 0 CCADLP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCC[N@H+]1CCNC(=O)C1 ZINC000357659002 282024145 /nfs/dbraw/zinc/02/41/45/282024145.db2.gz OSLKPDOZEQDBHU-GFCCVEGCSA-N 2 2 298.431 0.091 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCSCC1 ZINC000336382426 289288085 /nfs/dbraw/zinc/28/80/85/289288085.db2.gz CICNAXYFQISSIB-OLZOCXBDSA-N 2 2 283.441 0.730 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCSCC1 ZINC000336382426 289288086 /nfs/dbraw/zinc/28/80/86/289288086.db2.gz CICNAXYFQISSIB-OLZOCXBDSA-N 2 2 283.441 0.730 20 0 CCADLP C[C@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)[C@H]1CCC[NH2+]1 ZINC000333246042 290046320 /nfs/dbraw/zinc/04/63/20/290046320.db2.gz FSZNXIMWUXCLGI-SDDRHHMPSA-N 2 2 275.418 0.141 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422884932 295111246 /nfs/dbraw/zinc/11/12/46/295111246.db2.gz GAPSBAWIBGCEET-MCIONIFRSA-N 3 2 282.432 0.576 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422884932 295111249 /nfs/dbraw/zinc/11/12/49/295111249.db2.gz GAPSBAWIBGCEET-MCIONIFRSA-N 3 2 282.432 0.576 20 0 CCADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC000389202985 545086685 /nfs/dbraw/zinc/08/66/85/545086685.db2.gz ZCPJMLKZDMZPPZ-OLZOCXBDSA-N 2 2 252.362 0.318 20 0 CCADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC000389202985 545086686 /nfs/dbraw/zinc/08/66/86/545086686.db2.gz ZCPJMLKZDMZPPZ-OLZOCXBDSA-N 2 2 252.362 0.318 20 0 CCADLP C[C@H](C(=O)N[C@@H]1C[C@@H]1C1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000361080269 298179595 /nfs/dbraw/zinc/17/95/95/298179595.db2.gz NHERYLNEYHFKSD-MRVWCRGKSA-N 2 2 281.400 0.211 20 0 CCADLP Cc1c[nH+]c(CNCC2([NH+](C)C)CCOCC2)n1C ZINC000341007516 302343813 /nfs/dbraw/zinc/34/38/13/302343813.db2.gz KZCHNOWSNITJOI-UHFFFAOYSA-N 2 2 266.389 0.929 20 0 CCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N[C@H](C)C[NH3+] ZINC000416883276 302666541 /nfs/dbraw/zinc/66/65/41/302666541.db2.gz JGWDNJRYPNTEAU-SNVBAGLBSA-N 2 2 275.356 0.991 20 0 CCADLP [NH3+]C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C1CC1 ZINC000333702901 303416291 /nfs/dbraw/zinc/41/62/91/303416291.db2.gz RBZUDHULAHMFRO-KBPBESRZSA-N 2 2 296.415 0.230 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[C@@H]1CCC[NH2+]C1 ZINC000104357755 303594545 /nfs/dbraw/zinc/59/45/45/303594545.db2.gz QWTJFNXNLGOXMQ-LBPRGKRZSA-N 2 2 250.346 0.779 20 0 CCADLP CCO[C@H]1C[C@]([NH3+])(c2nc(C[NH2+]C)no2)C1(C)C ZINC000582121563 327880245 /nfs/dbraw/zinc/88/02/45/327880245.db2.gz USEVMENLFHCBMK-UFBFGSQYSA-N 2 2 254.334 0.778 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000582734264 329132574 /nfs/dbraw/zinc/13/25/74/329132574.db2.gz VJVCHFCOPAZYQW-GRYCIOLGSA-N 2 2 298.349 0.934 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000582734264 329132575 /nfs/dbraw/zinc/13/25/75/329132575.db2.gz VJVCHFCOPAZYQW-GRYCIOLGSA-N 2 2 298.349 0.934 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000582734264 329132576 /nfs/dbraw/zinc/13/25/76/329132576.db2.gz VJVCHFCOPAZYQW-GRYCIOLGSA-N 2 2 298.349 0.934 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000582734264 329132577 /nfs/dbraw/zinc/13/25/77/329132577.db2.gz VJVCHFCOPAZYQW-GRYCIOLGSA-N 2 2 298.349 0.934 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1 ZINC000583489220 328303903 /nfs/dbraw/zinc/30/39/03/328303903.db2.gz FKCCTTKHHTUESS-JHJVBQTASA-N 2 2 268.405 0.849 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1 ZINC000583489220 328303904 /nfs/dbraw/zinc/30/39/04/328303904.db2.gz FKCCTTKHHTUESS-JHJVBQTASA-N 2 2 268.405 0.849 20 0 CCADLP Cc1cc(CC[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)on1 ZINC000566128943 327143715 /nfs/dbraw/zinc/14/37/15/327143715.db2.gz QGPPXRKATINSCE-MCIONIFRSA-N 2 2 297.399 0.585 20 0 CCADLP Cn1cnc2cc(CN3CC[N@H+](C)C[C@@H]3C[NH3+])ccc21 ZINC000584291545 327223297 /nfs/dbraw/zinc/22/32/97/327223297.db2.gz VYTROUGDVGBGBB-ZDUSSCGKSA-N 2 2 273.384 0.648 20 0 CCADLP Cn1cnc2cc(CN3CC[N@@H+](C)C[C@@H]3C[NH3+])ccc21 ZINC000584291545 327223299 /nfs/dbraw/zinc/22/32/99/327223299.db2.gz VYTROUGDVGBGBB-ZDUSSCGKSA-N 2 2 273.384 0.648 20 0 CCADLP O[C@@H](C[NH2+]Cc1ccn2cc[nH+]c2c1)CN1CCOCC1 ZINC000574566904 327349775 /nfs/dbraw/zinc/34/97/75/327349775.db2.gz WGMKPRRFEPMNAF-AWEZNQCLSA-N 2 2 290.367 0.117 20 0 CCADLP Cc1cc(C[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)n(C)n1 ZINC000574631008 327357224 /nfs/dbraw/zinc/35/72/24/327357224.db2.gz BTIPDEUOOZJOHL-YDHLFZDLSA-N 2 2 296.415 0.288 20 0 CCADLP COCC[C@H](C)[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000583435757 327362336 /nfs/dbraw/zinc/36/23/36/327362336.db2.gz CNLZXKHFZZVJNX-FQUUOJAGSA-N 2 2 274.405 0.471 20 0 CCADLP COCC[C@H](C)[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000583435757 327362338 /nfs/dbraw/zinc/36/23/38/327362338.db2.gz CNLZXKHFZZVJNX-FQUUOJAGSA-N 2 2 274.405 0.471 20 0 CCADLP C[C@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCN(C)CC1 ZINC000583441533 327366530 /nfs/dbraw/zinc/36/65/30/327366530.db2.gz RVTCSWWZZZGTRH-JKXDFHQYSA-N 2 2 294.443 0.364 20 0 CCADLP CCOC[C@H](C)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000582541881 329109182 /nfs/dbraw/zinc/10/91/82/329109182.db2.gz PJVIJDMCUOZVDN-IGQOVBAYSA-N 2 2 274.405 0.471 20 0 CCADLP CCOC[C@H](C)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000582541881 329109184 /nfs/dbraw/zinc/10/91/84/329109184.db2.gz PJVIJDMCUOZVDN-IGQOVBAYSA-N 2 2 274.405 0.471 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000582784406 329189968 /nfs/dbraw/zinc/18/99/68/329189968.db2.gz WOGWSVJNCPPICE-SNVBAGLBSA-N 2 2 274.328 0.390 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000582786814 329198571 /nfs/dbraw/zinc/19/85/71/329198571.db2.gz IVJWLFPGLKDTNB-LOWVWBTDSA-N 2 2 251.374 0.809 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000582786814 329198572 /nfs/dbraw/zinc/19/85/72/329198572.db2.gz IVJWLFPGLKDTNB-LOWVWBTDSA-N 2 2 251.374 0.809 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000582909520 329287007 /nfs/dbraw/zinc/28/70/07/329287007.db2.gz OBRRUZIZHBJHLR-BMFZPTHFSA-N 3 2 281.444 0.906 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000582909520 329287008 /nfs/dbraw/zinc/28/70/08/329287008.db2.gz OBRRUZIZHBJHLR-BMFZPTHFSA-N 3 2 281.444 0.906 20 0 CCADLP C[NH2+]C[C@](C)(O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000582909520 329287009 /nfs/dbraw/zinc/28/70/09/329287009.db2.gz OBRRUZIZHBJHLR-BMFZPTHFSA-N 3 2 281.444 0.906 20 0 CCADLP C[NH2+]C[C@](C)(O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000582909520 329287010 /nfs/dbraw/zinc/28/70/10/329287010.db2.gz OBRRUZIZHBJHLR-BMFZPTHFSA-N 3 2 281.444 0.906 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](Cn2ccnn2)C1 ZINC000582972796 329296920 /nfs/dbraw/zinc/29/69/20/329296920.db2.gz RSLOOQSAUACFSQ-UONOGXRCSA-N 2 2 281.404 0.303 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](Cn2ccnn2)C1 ZINC000582972796 329296922 /nfs/dbraw/zinc/29/69/22/329296922.db2.gz RSLOOQSAUACFSQ-UONOGXRCSA-N 2 2 281.404 0.303 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000582972796 329296923 /nfs/dbraw/zinc/29/69/23/329296923.db2.gz RSLOOQSAUACFSQ-UONOGXRCSA-N 2 2 281.404 0.303 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000582972796 329296925 /nfs/dbraw/zinc/29/69/25/329296925.db2.gz RSLOOQSAUACFSQ-UONOGXRCSA-N 2 2 281.404 0.303 20 0 CCADLP CC[C@H](CSC)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000580532824 335107721 /nfs/dbraw/zinc/10/77/21/335107721.db2.gz IIBQCMAHGMSAMC-MNOVXSKESA-N 2 2 274.434 0.412 20 0 CCADLP CC[C@H](CSC)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000580532824 335107722 /nfs/dbraw/zinc/10/77/22/335107722.db2.gz IIBQCMAHGMSAMC-MNOVXSKESA-N 2 2 274.434 0.412 20 0 CCADLP CO[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000575833938 335120915 /nfs/dbraw/zinc/12/09/15/335120915.db2.gz DHQCFDUKQFTBBW-XLWJZTARSA-N 2 2 286.416 0.614 20 0 CCADLP CO[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000575833938 335120916 /nfs/dbraw/zinc/12/09/16/335120916.db2.gz DHQCFDUKQFTBBW-XLWJZTARSA-N 2 2 286.416 0.614 20 0 CCADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000575894913 335128833 /nfs/dbraw/zinc/12/88/33/335128833.db2.gz NWSUBANAELLCQP-FICVDOATSA-N 3 2 269.352 0.883 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000576119993 335157572 /nfs/dbraw/zinc/15/75/72/335157572.db2.gz YUOHTJSCPREGGQ-UHFFFAOYSA-N 2 2 297.443 0.899 20 0 CCADLP C[NH2+]C[C@@](C)(O)CN1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000566074410 334620542 /nfs/dbraw/zinc/62/05/42/334620542.db2.gz TUABMPBHDUHXGY-OAHLLOKOSA-N 2 2 296.415 0.379 20 0 CCADLP [NH3+]CC12CCC(CC1)CN2C(=O)[C@@H]([NH3+])c1cscn1 ZINC000576407415 335200059 /nfs/dbraw/zinc/20/00/59/335200059.db2.gz LKDRVYRQGDOVMG-QDYJBQRPSA-N 2 2 280.397 0.873 20 0 CCADLP C[NH2+][C@H]1CCCN(C(=O)[C@H]([NH3+])c2cscn2)C1 ZINC000576463276 335207021 /nfs/dbraw/zinc/20/70/21/335207021.db2.gz NMZLAXCSALUEMD-WCBMZHEXSA-N 2 2 254.359 0.353 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)N(C)Cc2cnn(C)c2)CC[C@H]1[NH3+] ZINC000576587723 335223076 /nfs/dbraw/zinc/22/30/76/335223076.db2.gz MNWMVWIJWMNQQQ-DGCLKSJQSA-N 2 2 279.388 0.048 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)Cc2cnn(C)c2)CC[C@H]1[NH3+] ZINC000576587723 335223077 /nfs/dbraw/zinc/22/30/77/335223077.db2.gz MNWMVWIJWMNQQQ-DGCLKSJQSA-N 2 2 279.388 0.048 20 0 CCADLP CC[N@H+](C)C[C@@H](O)CN1CCN(c2c[nH+]ccc2C)CC1 ZINC000576644443 335230255 /nfs/dbraw/zinc/23/02/55/335230255.db2.gz FYDASKMFMXPDEA-OAHLLOKOSA-N 2 2 292.427 0.825 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)CN1CCN(c2c[nH+]ccc2C)CC1 ZINC000576644443 335230256 /nfs/dbraw/zinc/23/02/56/335230256.db2.gz FYDASKMFMXPDEA-OAHLLOKOSA-N 2 2 292.427 0.825 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CC(=O)NCC(F)(F)F)n1C ZINC000576648580 335231032 /nfs/dbraw/zinc/23/10/32/335231032.db2.gz CIIVCOBASGRRCN-UHFFFAOYSA-N 2 2 264.251 0.497 20 0 CCADLP COc1cc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)ccn1 ZINC000576861273 335256657 /nfs/dbraw/zinc/25/66/57/335256657.db2.gz RBNWXLDYNCQGBR-UKRRQHHQSA-N 2 2 277.368 0.947 20 0 CCADLP COCC1(CNC(=O)c2c[nH+]c(C)[nH]2)CC[NH2+]CC1 ZINC000576941575 335267057 /nfs/dbraw/zinc/26/70/57/335267057.db2.gz KBGSPKKKKJURJK-UHFFFAOYSA-N 2 2 266.345 0.464 20 0 CCADLP Cn1cc[nH+]c1[C@@H](NC(=O)N[C@H]1CC[NH2+]C1)C1CC1 ZINC000577126015 335305232 /nfs/dbraw/zinc/30/52/32/335305232.db2.gz ZIKANKLQCQMUPC-QWRGUYRKSA-N 2 2 263.345 0.532 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCSCC1 ZINC000380073702 335313441 /nfs/dbraw/zinc/31/34/41/335313441.db2.gz QUDYKUORJDPDCT-LBPRGKRZSA-N 2 2 262.419 0.364 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCSCC1 ZINC000380073702 335313442 /nfs/dbraw/zinc/31/34/42/335313442.db2.gz QUDYKUORJDPDCT-LBPRGKRZSA-N 2 2 262.419 0.364 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCSCC1 ZINC000380073702 335313443 /nfs/dbraw/zinc/31/34/43/335313443.db2.gz QUDYKUORJDPDCT-LBPRGKRZSA-N 2 2 262.419 0.364 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCSCC1 ZINC000380073702 335313444 /nfs/dbraw/zinc/31/34/44/335313444.db2.gz QUDYKUORJDPDCT-LBPRGKRZSA-N 2 2 262.419 0.364 20 0 CCADLP CC(=O)NCCC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000580657460 335314084 /nfs/dbraw/zinc/31/40/84/335314084.db2.gz OMICEWZTJDRPIB-GFCCVEGCSA-N 2 2 250.346 0.736 20 0 CCADLP CC(=O)NCCC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000580657460 335314086 /nfs/dbraw/zinc/31/40/86/335314086.db2.gz OMICEWZTJDRPIB-GFCCVEGCSA-N 2 2 250.346 0.736 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000577280942 335334754 /nfs/dbraw/zinc/33/47/54/335334754.db2.gz DARYFMUERIRGOK-ZDUSSCGKSA-N 2 2 269.389 0.309 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cn2cnc3ccccc32)[C@@H](C[NH3+])C1 ZINC000577497046 335359687 /nfs/dbraw/zinc/35/96/87/335359687.db2.gz WEYDLGGUHPFOLB-LBPRGKRZSA-N 2 2 287.367 0.138 20 0 CCADLP C[N@H+]1CCN(C(=O)Cn2cnc3ccccc32)[C@@H](C[NH3+])C1 ZINC000577497046 335359688 /nfs/dbraw/zinc/35/96/88/335359688.db2.gz WEYDLGGUHPFOLB-LBPRGKRZSA-N 2 2 287.367 0.138 20 0 CCADLP Cc1cc(CNC(=O)C(C)(C)N2CC[NH2+]CC2)cc(C)[nH+]1 ZINC000577867564 335414857 /nfs/dbraw/zinc/41/48/57/335414857.db2.gz LNFVBRSDESXNNQ-UHFFFAOYSA-N 2 2 290.411 0.998 20 0 CCADLP CCc1cc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)nc(C)[nH+]1 ZINC000579860716 335911913 /nfs/dbraw/zinc/91/19/13/335911913.db2.gz PSMLANGIFRFGRM-NEPJUHHUSA-N 2 2 275.356 0.096 20 0 CCADLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]CC2(O)CCC2)C1=O ZINC000581067644 336003183 /nfs/dbraw/zinc/00/31/83/336003183.db2.gz MGISWMJXWBFWFY-GFCCVEGCSA-N 2 2 292.383 0.416 20 0 CCADLP C[C@@H](C[NH2+]CCC(=O)Nc1cccnc1)[NH+](C)C ZINC000581305360 336044042 /nfs/dbraw/zinc/04/40/42/336044042.db2.gz FLRSQDDYNKXJDQ-NSHDSACASA-N 2 2 250.346 0.950 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](N2CCOCC2)C1 ZINC000382767394 336096578 /nfs/dbraw/zinc/09/65/78/336096578.db2.gz UDJDXGJMESTTSC-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](N2CCOCC2)C1 ZINC000382767394 336096579 /nfs/dbraw/zinc/09/65/79/336096579.db2.gz UDJDXGJMESTTSC-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000382767394 336096580 /nfs/dbraw/zinc/09/65/80/336096580.db2.gz UDJDXGJMESTTSC-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000382767394 336096581 /nfs/dbraw/zinc/09/65/81/336096581.db2.gz UDJDXGJMESTTSC-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP CS(=O)(=O)N1CC[N@H+](CCC[NH3+])Cc2ccccc21 ZINC000414751461 545093337 /nfs/dbraw/zinc/09/33/37/545093337.db2.gz ALSUQOCSQKUFSR-UHFFFAOYSA-N 2 2 283.397 0.617 20 0 CCADLP CS(=O)(=O)N1CC[N@@H+](CCC[NH3+])Cc2ccccc21 ZINC000414751461 545093338 /nfs/dbraw/zinc/09/33/38/545093338.db2.gz ALSUQOCSQKUFSR-UHFFFAOYSA-N 2 2 283.397 0.617 20 0 CCADLP COC(=O)Cn1cc(C[NH2+]CCC[NH+]2CCCCC2)nn1 ZINC000449068479 533807202 /nfs/dbraw/zinc/80/72/02/533807202.db2.gz SNVNIYVWLRYEJO-UHFFFAOYSA-N 2 2 295.387 0.417 20 0 CCADLP COC(=O)Cn1cc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)nn1 ZINC000449092822 533808834 /nfs/dbraw/zinc/80/88/34/533808834.db2.gz UTIZWBMWNWNURC-GFCCVEGCSA-N 2 2 295.387 0.273 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)[C@@H]1CCOC1 ZINC000449397083 533881167 /nfs/dbraw/zinc/88/11/67/533881167.db2.gz NYHSXKPZFMVVBM-MJBXVCDLSA-N 2 2 256.390 0.848 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)[C@@H]1CCOC1 ZINC000449397083 533881171 /nfs/dbraw/zinc/88/11/71/533881171.db2.gz NYHSXKPZFMVVBM-MJBXVCDLSA-N 2 2 256.390 0.848 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)[C@H](C)O1 ZINC000449120005 533945419 /nfs/dbraw/zinc/94/54/19/533945419.db2.gz BQGHBHOLWFTQPU-VOAKCMCISA-N 2 2 269.389 0.482 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)[C@H](C)O1 ZINC000449120005 533945428 /nfs/dbraw/zinc/94/54/28/533945428.db2.gz BQGHBHOLWFTQPU-VOAKCMCISA-N 2 2 269.389 0.482 20 0 CCADLP Cc1cc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)on1 ZINC000442785426 533985330 /nfs/dbraw/zinc/98/53/30/533985330.db2.gz VTRACPFENDAUDC-DCAQKATOSA-N 2 2 266.345 0.979 20 0 CCADLP Cc1cc(NC(=O)[C@H](C)[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)on1 ZINC000442785426 533985337 /nfs/dbraw/zinc/98/53/37/533985337.db2.gz VTRACPFENDAUDC-DCAQKATOSA-N 2 2 266.345 0.979 20 0 CCADLP C[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)[NH+]1CCOCC1 ZINC000361713513 534293539 /nfs/dbraw/zinc/29/35/39/534293539.db2.gz HLNSGDPDPWLGOT-KFWWJZLASA-N 2 2 295.427 0.650 20 0 CCADLP C[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)[NH+]1CCOCC1 ZINC000361713513 534293541 /nfs/dbraw/zinc/29/35/41/534293541.db2.gz HLNSGDPDPWLGOT-KFWWJZLASA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCOCC2)C[C@H](C)[N@H+]1C ZINC000454244159 534312219 /nfs/dbraw/zinc/31/22/19/534312219.db2.gz QAMFTUILRCAJJS-BETUJISGSA-N 2 2 284.404 0.053 20 0 CCADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCOCC2)C[C@H](C)[N@@H+]1C ZINC000454244159 534312221 /nfs/dbraw/zinc/31/22/21/534312221.db2.gz QAMFTUILRCAJJS-BETUJISGSA-N 2 2 284.404 0.053 20 0 CCADLP CC(C)(C(=O)NCC[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000346157060 534329931 /nfs/dbraw/zinc/32/99/31/534329931.db2.gz XHTZLMPQGVNYJT-UHFFFAOYSA-N 2 2 283.416 0.699 20 0 CCADLP CC(C)(C)OC[C@H](O)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000353635440 518881853 /nfs/dbraw/zinc/88/18/53/518881853.db2.gz ADXBMHCWEGDXAT-CYBMUJFWSA-N 2 2 296.415 0.703 20 0 CCADLP CC[NH+](CC)CCC[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000365193308 520604316 /nfs/dbraw/zinc/60/43/16/520604316.db2.gz VBAOVQIPUNSZBF-UHFFFAOYSA-N 2 2 277.434 0.471 20 0 CCADLP Cc1c[nH+]c(CN2C[C@H](C)[N@@H+](CCO)C[C@H]2C)n1C ZINC000418121695 534553920 /nfs/dbraw/zinc/55/39/20/534553920.db2.gz XKHPVKYZSFQTLU-QWHCGFSZSA-N 2 2 266.389 0.615 20 0 CCADLP Cc1c[nH+]c(CN2C[C@H](C)[N@H+](CCO)C[C@H]2C)n1C ZINC000418121695 534553923 /nfs/dbraw/zinc/55/39/23/534553923.db2.gz XKHPVKYZSFQTLU-QWHCGFSZSA-N 2 2 266.389 0.615 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cc(F)cc(F)c1 ZINC000157053354 522441485 /nfs/dbraw/zinc/44/14/85/522441485.db2.gz GQSMVIYVLFIARC-UHFFFAOYSA-N 2 2 283.322 0.828 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cc(F)cc(F)c1 ZINC000157053354 522441499 /nfs/dbraw/zinc/44/14/99/522441499.db2.gz GQSMVIYVLFIARC-UHFFFAOYSA-N 2 2 283.322 0.828 20 0 CCADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000353465111 523412360 /nfs/dbraw/zinc/41/23/60/523412360.db2.gz ZMXBAZAHIBBALI-LSDHHAIUSA-N 3 2 296.459 0.517 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000366534114 523847166 /nfs/dbraw/zinc/84/71/66/523847166.db2.gz JXKJCLKCWJFOSZ-OLZOCXBDSA-N 2 2 274.430 0.837 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000366534114 523847172 /nfs/dbraw/zinc/84/71/72/523847172.db2.gz JXKJCLKCWJFOSZ-OLZOCXBDSA-N 2 2 274.430 0.837 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000366534114 523847177 /nfs/dbraw/zinc/84/71/77/523847177.db2.gz JXKJCLKCWJFOSZ-OLZOCXBDSA-N 2 2 274.430 0.837 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000366534114 523847184 /nfs/dbraw/zinc/84/71/84/523847184.db2.gz JXKJCLKCWJFOSZ-OLZOCXBDSA-N 2 2 274.430 0.837 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000364987830 523865290 /nfs/dbraw/zinc/86/52/90/523865290.db2.gz MEANRRAXCLNMIW-CHWSQXEVSA-N 2 2 292.383 0.282 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000364987830 523865294 /nfs/dbraw/zinc/86/52/94/523865294.db2.gz MEANRRAXCLNMIW-CHWSQXEVSA-N 2 2 292.383 0.282 20 0 CCADLP CNC(=O)NC(=O)CC[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156527424 524077410 /nfs/dbraw/zinc/07/74/10/524077410.db2.gz YUKVVCFDNXCTMI-NEPJUHHUSA-N 2 2 293.371 0.612 20 0 CCADLP CNC(=O)NC(=O)CC[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156527424 524077411 /nfs/dbraw/zinc/07/74/11/524077411.db2.gz YUKVVCFDNXCTMI-NEPJUHHUSA-N 2 2 293.371 0.612 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000055090806 524355038 /nfs/dbraw/zinc/35/50/38/524355038.db2.gz WQHONQCGMVYNOE-UPJWGTAASA-N 2 2 269.389 0.341 20 0 CCADLP O=C(/C=C/c1[nH]cc[nH+]1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000493073851 534786640 /nfs/dbraw/zinc/78/66/40/534786640.db2.gz SWNMKRXJJRPGOH-ZIYVKSGCSA-N 2 2 290.367 0.604 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)N[C@H](CO)C[NH+]1CCCCC1 ZINC000493100532 534802109 /nfs/dbraw/zinc/80/21/09/534802109.db2.gz VYWRSDLMJMFDKA-ZFDPJTLLSA-N 2 2 278.356 0.386 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCCC[NH+]1CCCC1 ZINC000356095475 524718146 /nfs/dbraw/zinc/71/81/46/524718146.db2.gz MMMMUUNMDZXZSM-AWEZNQCLSA-N 2 2 298.431 0.492 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCCC[NH+]1CCCC1 ZINC000356095475 524718153 /nfs/dbraw/zinc/71/81/53/524718153.db2.gz MMMMUUNMDZXZSM-AWEZNQCLSA-N 2 2 298.431 0.492 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000365189117 525002977 /nfs/dbraw/zinc/00/29/77/525002977.db2.gz JRACCUBHEQRVNV-GHMZBOCLSA-N 2 2 264.373 0.861 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)COC1CC[NH2+]CC1 ZINC000517234182 534912485 /nfs/dbraw/zinc/91/24/85/534912485.db2.gz XUBVXSBIIAQWCU-UHFFFAOYSA-N 2 2 294.399 0.924 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)Nc1nc[nH+]c2c1OCCN2 ZINC000665700179 545104010 /nfs/dbraw/zinc/10/40/10/545104010.db2.gz WBAMTCQGPDRRIB-LLVKDONJSA-N 2 2 292.387 0.329 20 0 CCADLP OCCC[N@@H+]1CCC[C@@H]1CNc1nc[nH+]c2c1OCCN2 ZINC000665721240 545105369 /nfs/dbraw/zinc/10/53/69/545105369.db2.gz AFKOWQNPZWRWJT-LLVKDONJSA-N 2 2 293.371 0.540 20 0 CCADLP OCCC[N@H+]1CCC[C@@H]1CNc1nc[nH+]c2c1OCCN2 ZINC000665721240 545105370 /nfs/dbraw/zinc/10/53/70/545105370.db2.gz AFKOWQNPZWRWJT-LLVKDONJSA-N 2 2 293.371 0.540 20 0 CCADLP C1CC1[C@@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1C[NH2+]CCO1 ZINC000423539876 526421606 /nfs/dbraw/zinc/42/16/06/526421606.db2.gz CDEGIHXDFOBUHC-DGXTUMSLSA-N 3 2 279.428 0.731 20 0 CCADLP C[C@H]1CN(CC[NH2+]Cc2c[nH+]c(N(C)C)n2C)CCO1 ZINC000666258335 545117794 /nfs/dbraw/zinc/11/77/94/545117794.db2.gz DOBLNBGNEDBNOD-LBPRGKRZSA-N 2 2 281.404 0.296 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)NC[C@@H]1CCCO1 ZINC000157359068 526798116 /nfs/dbraw/zinc/79/81/16/526798116.db2.gz OGFCXQFZIYHMOM-GJZGRUSLSA-N 2 2 295.427 0.699 20 0 CCADLP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)NC[C@@H]1CCCO1 ZINC000157359068 526798121 /nfs/dbraw/zinc/79/81/21/526798121.db2.gz OGFCXQFZIYHMOM-GJZGRUSLSA-N 2 2 295.427 0.699 20 0 CCADLP CNC(=O)CCC[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000360953592 536490105 /nfs/dbraw/zinc/49/01/05/536490105.db2.gz IGIPNJDIVUNCEG-UHFFFAOYSA-N 2 2 299.415 0.520 20 0 CCADLP Cc1cnccc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000666494617 545124293 /nfs/dbraw/zinc/12/42/93/545124293.db2.gz SUDHRAGSCOVLFP-UHFFFAOYSA-N 2 2 293.415 0.817 20 0 CCADLP Cc1cnccc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000666494617 545124294 /nfs/dbraw/zinc/12/42/94/545124294.db2.gz SUDHRAGSCOVLFP-UHFFFAOYSA-N 2 2 293.415 0.817 20 0 CCADLP CC(C)(CNC(=O)C=Cc1c[nH]c[nH+]1)[NH+]1CCOCC1 ZINC000492774113 527091952 /nfs/dbraw/zinc/09/19/52/527091952.db2.gz WDWOFDFMYVQURR-ARJAWSKDSA-N 2 2 278.356 0.650 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)C1([NH+](C)C)CC1 ZINC000666896356 545133081 /nfs/dbraw/zinc/13/30/81/545133081.db2.gz OACWRUDRJPZLBM-UHFFFAOYSA-N 2 2 250.346 0.792 20 0 CCADLP CN(C)C(=O)C[NH+]1CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000667483872 545148742 /nfs/dbraw/zinc/14/87/42/545148742.db2.gz UROIEDSEQMOTDC-UHFFFAOYSA-N 2 2 291.399 0.035 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000667676091 545153504 /nfs/dbraw/zinc/15/35/04/545153504.db2.gz FOUJOWKKIVREKR-CYBMUJFWSA-N 2 2 278.400 0.718 20 0 CCADLP C[C@@H]1CN(Cc2c[nH+]c3n2CCC3)CC[N@@H+]1CCO ZINC000668013921 545161100 /nfs/dbraw/zinc/16/11/00/545161100.db2.gz LVKZRRLGFGUKOS-GFCCVEGCSA-N 2 2 264.373 0.328 20 0 CCADLP C[C@@H]1CN(Cc2c[nH+]c3n2CCC3)CC[N@H+]1CCO ZINC000668013921 545161101 /nfs/dbraw/zinc/16/11/01/545161101.db2.gz LVKZRRLGFGUKOS-GFCCVEGCSA-N 2 2 264.373 0.328 20 0 CCADLP CNC(=O)[C@@]1(C)CC[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000668098790 545163581 /nfs/dbraw/zinc/16/35/81/545163581.db2.gz RMTQLZQSCBTROU-ZDUSSCGKSA-N 2 2 250.346 0.687 20 0 CCADLP CNC(=O)[C@@]1(C)CC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000668098790 545163582 /nfs/dbraw/zinc/16/35/82/545163582.db2.gz RMTQLZQSCBTROU-ZDUSSCGKSA-N 2 2 250.346 0.687 20 0 CCADLP c1[nH+]c2n(c1C[NH2+]CCN1CCCOCC1)CCC2 ZINC000668166894 545166070 /nfs/dbraw/zinc/16/60/70/545166070.db2.gz LKXIHGVMNNFLRR-UHFFFAOYSA-N 2 2 264.373 0.641 20 0 CCADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000668203413 545167174 /nfs/dbraw/zinc/16/71/74/545167174.db2.gz HVXWVTHRJSCQOI-RRFJBIMHSA-N 2 2 268.401 0.990 20 0 CCADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000668203413 545167175 /nfs/dbraw/zinc/16/71/75/545167175.db2.gz HVXWVTHRJSCQOI-RRFJBIMHSA-N 2 2 268.401 0.990 20 0 CCADLP OC[C@@]1(O)CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668234756 545168903 /nfs/dbraw/zinc/16/89/03/545168903.db2.gz SYRMFIMESWDSTI-OAHLLOKOSA-N 2 2 288.351 0.587 20 0 CCADLP OC[C@@]1(O)CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668234756 545168904 /nfs/dbraw/zinc/16/89/04/545168904.db2.gz SYRMFIMESWDSTI-OAHLLOKOSA-N 2 2 288.351 0.587 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000668436548 545177440 /nfs/dbraw/zinc/17/74/40/545177440.db2.gz IEAOMULLXZYTRE-VXGBXAGGSA-N 2 2 292.383 0.352 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000668436548 545177441 /nfs/dbraw/zinc/17/74/41/545177441.db2.gz IEAOMULLXZYTRE-VXGBXAGGSA-N 2 2 292.383 0.352 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000668436548 545177442 /nfs/dbraw/zinc/17/74/42/545177442.db2.gz IEAOMULLXZYTRE-VXGBXAGGSA-N 2 2 292.383 0.352 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000668436548 545177443 /nfs/dbraw/zinc/17/74/43/545177443.db2.gz IEAOMULLXZYTRE-VXGBXAGGSA-N 2 2 292.383 0.352 20 0 CCADLP CC[N@@H+]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000668476154 545178912 /nfs/dbraw/zinc/17/89/12/545178912.db2.gz ZFQGRVGKIRHKOB-ZDUSSCGKSA-N 2 2 276.384 1.000 20 0 CCADLP CC[N@H+]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000668476154 545178913 /nfs/dbraw/zinc/17/89/13/545178913.db2.gz ZFQGRVGKIRHKOB-ZDUSSCGKSA-N 2 2 276.384 1.000 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCc2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000668551123 545181389 /nfs/dbraw/zinc/18/13/89/545181389.db2.gz LFTQZYMLDYPMHA-CQSZACIVSA-N 2 2 294.374 0.653 20 0 CCADLP O[C@H]1CC[N@@H+](C2CCN(Cc3c[nH+]c4n3CCC4)CC2)C1 ZINC000668738790 545189564 /nfs/dbraw/zinc/18/95/64/545189564.db2.gz GOYIZLUFMUURJO-HNNXBMFYSA-N 2 2 290.411 0.860 20 0 CCADLP O[C@H]1CC[N@H+](C2CCN(Cc3c[nH+]c4n3CCC4)CC2)C1 ZINC000668738790 545189565 /nfs/dbraw/zinc/18/95/65/545189565.db2.gz GOYIZLUFMUURJO-HNNXBMFYSA-N 2 2 290.411 0.860 20 0 CCADLP O=C(NCCn1cc[nH+]c1)NC[C@@H]1CCCC[NH2+]1 ZINC000668684074 545187191 /nfs/dbraw/zinc/18/71/91/545187191.db2.gz DJLLVYTTZPLBTL-NSHDSACASA-N 2 2 251.334 0.324 20 0 CCADLP CCN1C[C@@H]([NH2+]C2CC[NH+](CCOC)CC2)CC1=O ZINC000449517503 527949924 /nfs/dbraw/zinc/94/99/24/527949924.db2.gz KJCLTKPNUYPKNO-ZDUSSCGKSA-N 2 2 269.389 0.308 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](O)C2CCOCC2)C1 ZINC000358170909 527973779 /nfs/dbraw/zinc/97/37/79/527973779.db2.gz QZVBROJQEBVHEX-IACUBPJLSA-N 2 2 256.390 0.704 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](O)C2CCOCC2)C1 ZINC000358170909 527973782 /nfs/dbraw/zinc/97/37/82/527973782.db2.gz QZVBROJQEBVHEX-IACUBPJLSA-N 2 2 256.390 0.704 20 0 CCADLP C[C@H]([C@H](C)NC(=O)NCC[NH2+]C1CC1)[NH+]1CCOCC1 ZINC000669463916 545209121 /nfs/dbraw/zinc/20/91/21/545209121.db2.gz CVNNQIBOXOTUKB-NWDGAFQWSA-N 2 2 284.404 0.147 20 0 CCADLP CC[C@@H]1CN(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC[C@H]1[NH3+] ZINC000669323353 545205346 /nfs/dbraw/zinc/20/53/46/545205346.db2.gz YEQSRHSWRBSKLZ-MGPQQGTHSA-N 2 2 298.431 0.476 20 0 CCADLP CC[C@@H]1CN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC[C@@H]1[NH3+] ZINC000669323354 545205357 /nfs/dbraw/zinc/20/53/57/545205357.db2.gz YEQSRHSWRBSKLZ-MJBXVCDLSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000669323316 545205413 /nfs/dbraw/zinc/20/54/13/545205413.db2.gz LZTJRXDMJVBROX-STQMWFEESA-N 2 2 284.404 0.148 20 0 CCADLP CC[NH+](CC)CCOCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493113310 528140374 /nfs/dbraw/zinc/14/03/74/528140374.db2.gz FWEHHKFUPIRLMP-AATRIKPKSA-N 2 2 280.372 0.898 20 0 CCADLP CCC[C@H](O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000450602843 528246191 /nfs/dbraw/zinc/24/61/91/528246191.db2.gz RWUCPNHUEKSYBX-LBPRGKRZSA-N 2 2 252.362 0.703 20 0 CCADLP CC[NH2+]CCNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000418331141 528310057 /nfs/dbraw/zinc/31/00/57/528310057.db2.gz WWBPKMNEGFJVLO-UHFFFAOYSA-N 2 2 277.372 0.523 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CCO1 ZINC000669689372 545219150 /nfs/dbraw/zinc/21/91/50/545219150.db2.gz KBDCREULYYXBBM-OAGGEKHMSA-N 2 2 297.443 0.238 20 0 CCADLP Cc1cc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)no1 ZINC000669705093 545219880 /nfs/dbraw/zinc/21/98/80/545219880.db2.gz RAEQJROQFWFRKN-LLVKDONJSA-N 2 2 266.345 0.408 20 0 CCADLP CC(C)[C@@H](C[NH3+])C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000433115040 528440974 /nfs/dbraw/zinc/44/09/74/528440974.db2.gz ITGSBEBCBOCJLS-CQSZACIVSA-N 3 2 284.448 0.360 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000449149961 528551635 /nfs/dbraw/zinc/55/16/35/528551635.db2.gz YGCQUARRUFIKTB-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449656905 528553736 /nfs/dbraw/zinc/55/37/36/528553736.db2.gz MWINZJYSPPCDLP-NXEZZACHSA-N 2 2 263.332 0.736 20 0 CCADLP CCOCCC[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424302243 528671505 /nfs/dbraw/zinc/67/15/05/528671505.db2.gz XHEJTELSZWGAGM-QWHCGFSZSA-N 2 2 252.362 0.573 20 0 CCADLP CCOCCC[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424302243 528671510 /nfs/dbraw/zinc/67/15/10/528671510.db2.gz XHEJTELSZWGAGM-QWHCGFSZSA-N 2 2 252.362 0.573 20 0 CCADLP CC(C)[N@@H+](C)CCNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000413109340 528824005 /nfs/dbraw/zinc/82/40/05/528824005.db2.gz NGFQUWUHCVRHGE-NSHDSACASA-N 2 2 267.377 0.443 20 0 CCADLP CC(C)[N@H+](C)CCNc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000413109340 528824012 /nfs/dbraw/zinc/82/40/12/528824012.db2.gz NGFQUWUHCVRHGE-NSHDSACASA-N 2 2 267.377 0.443 20 0 CCADLP CCC([NH3+])(CC)CNC(=O)NCCc1cn(C)c[nH+]1 ZINC000418286705 528935131 /nfs/dbraw/zinc/93/51/31/528935131.db2.gz YKCJSNDMCORLDC-UHFFFAOYSA-N 2 2 267.377 0.779 20 0 CCADLP CCCC[C@H](C[NH3+])NC(=O)NCCc1cn(C)c[nH+]1 ZINC000418275316 528941782 /nfs/dbraw/zinc/94/17/82/528941782.db2.gz CWOJTXUIEOKOHW-LLVKDONJSA-N 2 2 267.377 0.779 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456219641 529006527 /nfs/dbraw/zinc/00/65/27/529006527.db2.gz UUQQATNMGFANGQ-ZNMIVQPWSA-N 2 2 295.427 0.840 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456219641 529006533 /nfs/dbraw/zinc/00/65/33/529006533.db2.gz UUQQATNMGFANGQ-ZNMIVQPWSA-N 2 2 295.427 0.840 20 0 CCADLP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456219641 529006537 /nfs/dbraw/zinc/00/65/37/529006537.db2.gz UUQQATNMGFANGQ-ZNMIVQPWSA-N 2 2 295.427 0.840 20 0 CCADLP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456219641 529006543 /nfs/dbraw/zinc/00/65/43/529006543.db2.gz UUQQATNMGFANGQ-ZNMIVQPWSA-N 2 2 295.427 0.840 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418404245 529058635 /nfs/dbraw/zinc/05/86/35/529058635.db2.gz KHUVIWSWTQDAMF-FRRDWIJNSA-N 2 2 284.404 0.132 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418404245 529058643 /nfs/dbraw/zinc/05/86/43/529058643.db2.gz KHUVIWSWTQDAMF-FRRDWIJNSA-N 2 2 284.404 0.132 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CCCCOC)CC1 ZINC000419386739 529130676 /nfs/dbraw/zinc/13/06/76/529130676.db2.gz QEMQVJSWZPSMPG-CQSZACIVSA-N 2 2 285.432 0.897 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CCCCOC)CC1 ZINC000419386739 529130677 /nfs/dbraw/zinc/13/06/77/529130677.db2.gz QEMQVJSWZPSMPG-CQSZACIVSA-N 2 2 285.432 0.897 20 0 CCADLP CC[NH+]1CCN(CC(=O)Nc2c[nH+]ccc2OC)CC1 ZINC000342717296 529139457 /nfs/dbraw/zinc/13/94/57/529139457.db2.gz FDCSQRFNARMVKT-UHFFFAOYSA-N 2 2 278.356 0.666 20 0 CCADLP CC[C@H](C)NC(=O)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000361430557 529158240 /nfs/dbraw/zinc/15/82/40/529158240.db2.gz QDAMVLRVEVFBGS-LSDHHAIUSA-N 2 2 296.459 0.613 20 0 CCADLP CC[C@H](C)NC(=O)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000361430557 529158244 /nfs/dbraw/zinc/15/82/44/529158244.db2.gz QDAMVLRVEVFBGS-LSDHHAIUSA-N 2 2 296.459 0.613 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)C2(C)CCOCC2)CC1 ZINC000674000450 545298355 /nfs/dbraw/zinc/29/83/55/545298355.db2.gz MEUJXYSSQUERSC-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@H]2CCCOC2)CC1 ZINC000674301042 545303857 /nfs/dbraw/zinc/30/38/57/545303857.db2.gz LNOCVXRGKRISLO-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP CCCC[N@H+](C)CCNC(=O)NCc1c[nH+]cn1C ZINC000358008671 535220412 /nfs/dbraw/zinc/22/04/12/535220412.db2.gz WKACLJOWPUNRJC-UHFFFAOYSA-N 2 2 267.377 0.951 20 0 CCADLP CCCC[N@@H+](C)CCNC(=O)NCc1c[nH+]cn1C ZINC000358008671 535220415 /nfs/dbraw/zinc/22/04/15/535220415.db2.gz WKACLJOWPUNRJC-UHFFFAOYSA-N 2 2 267.377 0.951 20 0 CCADLP C[C@@H](C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)[NH+](C)C ZINC000675663958 545330234 /nfs/dbraw/zinc/33/02/34/545330234.db2.gz WQTGQRLNRFEGMV-IHRRRGAJSA-N 2 2 283.416 0.696 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000675886224 545332302 /nfs/dbraw/zinc/33/23/02/545332302.db2.gz BTZOGKFFAMQPNS-KGLIPLIRSA-N 2 2 271.405 0.017 20 0 CCADLP CC[NH+]1CCC([N@H+](C)CC(=O)NCCCOC)CC1 ZINC000362182954 535456672 /nfs/dbraw/zinc/45/66/72/535456672.db2.gz FCQWYCVWVKZLRE-UHFFFAOYSA-N 2 2 271.405 0.555 20 0 CCADLP C[NH+]1CCC(Nc2nc(N3CCOCC3)cc[nH+]2)CC1 ZINC000676304371 545340589 /nfs/dbraw/zinc/34/05/89/545340589.db2.gz RJQSXSWJENOUFX-UHFFFAOYSA-N 2 2 277.372 0.819 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000346996103 535640026 /nfs/dbraw/zinc/64/00/26/535640026.db2.gz WLTODOMWXNACCW-NEPJUHHUSA-N 2 2 262.419 0.741 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000346996103 535640030 /nfs/dbraw/zinc/64/00/30/535640030.db2.gz WLTODOMWXNACCW-NEPJUHHUSA-N 2 2 262.419 0.741 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]CCNC(=O)c2cnccn2)[C@@H](C)C1 ZINC000343916571 535784052 /nfs/dbraw/zinc/78/40/52/535784052.db2.gz QIVDGNMOTWHDTP-AAEUAGOBSA-N 2 2 277.372 0.136 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]CCNC(=O)c2cnccn2)[C@@H](C)C1 ZINC000343916571 535784054 /nfs/dbraw/zinc/78/40/54/535784054.db2.gz QIVDGNMOTWHDTP-AAEUAGOBSA-N 2 2 277.372 0.136 20 0 CCADLP C[NH+](C)CCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372370330 535886977 /nfs/dbraw/zinc/88/69/77/535886977.db2.gz QJXWDESHGHKYIH-ZDUSSCGKSA-N 3 2 297.447 0.016 20 0 CCADLP C[NH+](C)CCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372370330 535886981 /nfs/dbraw/zinc/88/69/81/535886981.db2.gz QJXWDESHGHKYIH-ZDUSSCGKSA-N 3 2 297.447 0.016 20 0 CCADLP Cc1[nH+]ccn1CCC[NH+]1CCN(CC(=O)N(C)C)CC1 ZINC000677817537 545373571 /nfs/dbraw/zinc/37/35/71/545373571.db2.gz PNHLBLQPPDUKIS-UHFFFAOYSA-N 2 2 293.415 0.287 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N2CC[NH+](C3CC3)CC2)no1 ZINC000359166913 535980264 /nfs/dbraw/zinc/98/02/64/535980264.db2.gz IJCPXQFHPXSDHK-UHFFFAOYSA-N 2 2 278.356 0.656 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000678082187 545384081 /nfs/dbraw/zinc/38/40/81/545384081.db2.gz JWMJHLJIJYEDEX-DZGCQCFKSA-N 2 2 295.427 0.827 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000678082187 545384082 /nfs/dbraw/zinc/38/40/82/545384082.db2.gz JWMJHLJIJYEDEX-DZGCQCFKSA-N 2 2 295.427 0.827 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)CCc2[nH]cc[nH+]2)CCO1 ZINC000357364846 536146124 /nfs/dbraw/zinc/14/61/24/536146124.db2.gz APSZHCYZYQVHRN-LBPRGKRZSA-N 2 2 280.372 0.569 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)CCc2[nH]cc[nH+]2)CCO1 ZINC000357364846 536146128 /nfs/dbraw/zinc/14/61/28/536146128.db2.gz APSZHCYZYQVHRN-LBPRGKRZSA-N 2 2 280.372 0.569 20 0 CCADLP CNS(=O)(=O)[C@H]1CC[N@H+](CCCc2c[nH+]ccc2C)C1 ZINC000372722258 536311032 /nfs/dbraw/zinc/31/10/32/536311032.db2.gz YYIHHNFAWBRSIE-AWEZNQCLSA-N 2 2 297.424 0.946 20 0 CCADLP CNS(=O)(=O)[C@H]1CC[N@@H+](CCCc2c[nH+]ccc2C)C1 ZINC000372722258 536311035 /nfs/dbraw/zinc/31/10/35/536311035.db2.gz YYIHHNFAWBRSIE-AWEZNQCLSA-N 2 2 297.424 0.946 20 0 CCADLP C[NH+]1CCN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000262724987 536407852 /nfs/dbraw/zinc/40/78/52/536407852.db2.gz GXGOIOXRMKTAPB-GFCCVEGCSA-N 2 2 277.372 0.195 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](OC(F)F)C2)CC1 ZINC000679685615 545414793 /nfs/dbraw/zinc/41/47/93/545414793.db2.gz ZWKPSAMAAWYZNN-NSHDSACASA-N 2 2 291.342 0.464 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](OC(F)F)C2)CC1 ZINC000679685615 545414794 /nfs/dbraw/zinc/41/47/94/545414794.db2.gz ZWKPSAMAAWYZNN-NSHDSACASA-N 2 2 291.342 0.464 20 0 CCADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)[nH]1 ZINC000261768131 536669680 /nfs/dbraw/zinc/66/96/80/536669680.db2.gz MEMWUWDZILJQRJ-ZDUSSCGKSA-N 2 2 251.330 0.972 20 0 CCADLP COC(=O)c1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)[nH]1 ZINC000261768131 536669685 /nfs/dbraw/zinc/66/96/85/536669685.db2.gz MEMWUWDZILJQRJ-ZDUSSCGKSA-N 2 2 251.330 0.972 20 0 CCADLP CO[C@H](C)[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000360895462 536875098 /nfs/dbraw/zinc/87/50/98/536875098.db2.gz XGNKYZOKDDVSPD-BFHYXJOUSA-N 2 2 285.432 0.942 20 0 CCADLP CO[C@H](C)[C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000360895462 536875102 /nfs/dbraw/zinc/87/51/02/536875102.db2.gz XGNKYZOKDDVSPD-BFHYXJOUSA-N 2 2 285.432 0.942 20 0 CCADLP COCC[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000360986732 536893231 /nfs/dbraw/zinc/89/32/31/536893231.db2.gz LRJMPCAIMVWEPO-UHFFFAOYSA-N 2 2 258.362 0.640 20 0 CCADLP CC(C)[C@@](C)(O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681189685 545444778 /nfs/dbraw/zinc/44/47/78/545444778.db2.gz WPIRIIUAXXIEAE-XJKSGUPXSA-N 2 2 297.443 0.678 20 0 CCADLP CC(C)[C@@](C)(O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681189685 545444779 /nfs/dbraw/zinc/44/47/79/545444779.db2.gz WPIRIIUAXXIEAE-XJKSGUPXSA-N 2 2 297.443 0.678 20 0 CCADLP Cn1c[nH+]cc1CC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000681553583 545456101 /nfs/dbraw/zinc/45/61/01/545456101.db2.gz HBOVNVQGONYYEF-UHFFFAOYSA-N 2 2 276.344 0.359 20 0 CCADLP c1cn(-c2cc(NCC[N@@H+]3CCCOCC3)ncn2)c[nH+]1 ZINC000682081775 545472125 /nfs/dbraw/zinc/47/21/25/545472125.db2.gz WIQKTQNWWMJWRZ-UHFFFAOYSA-N 2 2 288.355 0.797 20 0 CCADLP c1cn(-c2cc(NCC[N@H+]3CCCOCC3)ncn2)c[nH+]1 ZINC000682081775 545472126 /nfs/dbraw/zinc/47/21/26/545472126.db2.gz WIQKTQNWWMJWRZ-UHFFFAOYSA-N 2 2 288.355 0.797 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH+](C)C ZINC000682455595 545479560 /nfs/dbraw/zinc/47/95/60/545479560.db2.gz KMKHSIVLPIMXDX-MNOVXSKESA-N 2 2 250.346 0.512 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC1[C@H]2C[N@H+](C/C=C/Cl)C[C@@H]12 ZINC000962291231 649897595 /nfs/dbraw/zinc/89/75/95/649897595.db2.gz DXLUMMYWDCYNDZ-GMJUUCKOSA-N 2 2 294.786 0.762 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC1[C@H]2C[N@@H+](C/C=C/Cl)C[C@@H]12 ZINC000962291231 649897597 /nfs/dbraw/zinc/89/75/97/649897597.db2.gz DXLUMMYWDCYNDZ-GMJUUCKOSA-N 2 2 294.786 0.762 20 0 CCADLP C[C@@H](NC(=O)c1cccc2[nH+]ccn21)[C@@H]1C[N@H+](C)CCO1 ZINC000777036744 581104010 /nfs/dbraw/zinc/10/40/10/581104010.db2.gz IMPSHFQFASZSFB-YPMHNXCESA-N 2 2 288.351 0.783 20 0 CCADLP C[C@@H](NC(=O)c1cccc2[nH+]ccn21)[C@@H]1C[N@@H+](C)CCO1 ZINC000777036744 581104012 /nfs/dbraw/zinc/10/40/12/581104012.db2.gz IMPSHFQFASZSFB-YPMHNXCESA-N 2 2 288.351 0.783 20 0 CCADLP CN(C)C(=O)C[NH+]1CCC([NH2+]Cc2ccc(F)nc2)CC1 ZINC000778170762 581144410 /nfs/dbraw/zinc/14/44/10/581144410.db2.gz XROGXQKOKGUFNK-UHFFFAOYSA-N 2 2 294.374 0.863 20 0 CCADLP C[C@H](C(=O)OCCC[NH+](C)C)[NH+]1CCSCC1 ZINC000792050489 581246061 /nfs/dbraw/zinc/24/60/61/581246061.db2.gz QRLFGXOTXNFIDJ-LLVKDONJSA-N 2 2 260.403 0.919 20 0 CCADLP O=C1NCC2(CC[NH+](C[C@@H](O)C[NH+]3CCCC3)CC2)O1 ZINC000781992425 581283851 /nfs/dbraw/zinc/28/38/51/581283851.db2.gz JFUCSQBKSYFGAA-LBPRGKRZSA-N 2 2 283.372 0.018 20 0 CCADLP Cn1c[nH+]cc1CCOC(=O)[C@H]1CCCC[N@@H+]1C ZINC000793241303 581289235 /nfs/dbraw/zinc/28/92/35/581289235.db2.gz KEFZHRTVDGJRPK-GFCCVEGCSA-N 2 2 251.330 0.990 20 0 CCADLP Cn1c[nH+]cc1CCOC(=O)[C@H]1CCCC[N@H+]1C ZINC000793241303 581289237 /nfs/dbraw/zinc/28/92/37/581289237.db2.gz KEFZHRTVDGJRPK-GFCCVEGCSA-N 2 2 251.330 0.990 20 0 CCADLP COC[C@@]1(C)CC(=O)N(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000793769112 581312543 /nfs/dbraw/zinc/31/25/43/581312543.db2.gz SDTXPUAVHZGOFS-JKSUJKDBSA-N 2 2 295.427 0.857 20 0 CCADLP COC[C@@]1(C)CC(=O)N(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000793769112 581312544 /nfs/dbraw/zinc/31/25/44/581312544.db2.gz SDTXPUAVHZGOFS-JKSUJKDBSA-N 2 2 295.427 0.857 20 0 CCADLP COC[C@@]1(C)CC(=O)N(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC000793769112 581312547 /nfs/dbraw/zinc/31/25/47/581312547.db2.gz SDTXPUAVHZGOFS-JKSUJKDBSA-N 2 2 295.427 0.857 20 0 CCADLP COC[C@@]1(C)CC(=O)N(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)C1 ZINC000793769112 581312549 /nfs/dbraw/zinc/31/25/49/581312549.db2.gz SDTXPUAVHZGOFS-JKSUJKDBSA-N 2 2 295.427 0.857 20 0 CCADLP COC1CC[NH+](CN2C[C@@H](c3c[nH+]cn3C)CC2=O)CC1 ZINC000783971691 581369314 /nfs/dbraw/zinc/36/93/14/581369314.db2.gz CZBPSTZFWMBHHQ-LBPRGKRZSA-N 2 2 292.383 0.804 20 0 CCADLP CO[C@@H]1CC[N@H+](CN2C[C@@H](c3c[nH+]cn3C)CC2=O)C1 ZINC000783989929 581370059 /nfs/dbraw/zinc/37/00/59/581370059.db2.gz OSNQGVAMWOZUTB-NWDGAFQWSA-N 2 2 278.356 0.414 20 0 CCADLP CO[C@@H]1CC[N@@H+](CN2C[C@@H](c3c[nH+]cn3C)CC2=O)C1 ZINC000783989929 581370061 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CC[N@@H+]1CCCN(C(=O)NCC[NH+]2CCO[C@H](C)C2)CC1 ZINC000769609872 581697443 /nfs/dbraw/zinc/69/74/43/581697443.db2.gz CTMXAZOSNORKPR-CQSZACIVSA-N 2 2 298.431 0.444 20 0 CCADLP CC[N@H+]1CCCN(C(=O)NCC[NH+]2CCO[C@H](C)C2)CC1 ZINC000769609872 581697446 /nfs/dbraw/zinc/69/74/46/581697446.db2.gz CTMXAZOSNORKPR-CQSZACIVSA-N 2 2 298.431 0.444 20 0 CCADLP CC[NH+]1CCCN(C(=O)NCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000769609872 581697450 /nfs/dbraw/zinc/69/74/50/581697450.db2.gz CTMXAZOSNORKPR-CQSZACIVSA-N 2 2 298.431 0.444 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)NC[C@@H]2CCC[NH+](C)C2)CCO1 ZINC000731115654 581754058 /nfs/dbraw/zinc/75/40/58/581754058.db2.gz DXKJMLISYLZTAA-KBPBESRZSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)NC[C@@H]2CCC[NH+](C)C2)CCO1 ZINC000731115654 581754063 /nfs/dbraw/zinc/75/40/63/581754063.db2.gz DXKJMLISYLZTAA-KBPBESRZSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)NC[C@@H]2CCC[N@H+](C)C2)CCO1 ZINC000731115654 581754066 /nfs/dbraw/zinc/75/40/66/581754066.db2.gz DXKJMLISYLZTAA-KBPBESRZSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)CCO1 ZINC000731115654 581754071 /nfs/dbraw/zinc/75/40/71/581754071.db2.gz DXKJMLISYLZTAA-KBPBESRZSA-N 2 2 298.431 0.348 20 0 CCADLP Cc1cc(N2CC[NH+](CC[S@](C)=O)CC2)nc(C)[nH+]1 ZINC000771145951 581793494 /nfs/dbraw/zinc/79/34/94/581793494.db2.gz LKHQQVQFYDSLNR-IBGZPJMESA-N 2 2 282.413 0.594 20 0 CCADLP Cc1nnc([C@@H]2CCC[N@H+](C[C@@H](O)C[NH+]3CCCC3)C2)[nH]1 ZINC000760958088 581880925 /nfs/dbraw/zinc/88/09/25/581880925.db2.gz FJBPDAXJVXDTKR-KGLIPLIRSA-N 2 2 293.415 0.749 20 0 CCADLP Cc1nnc([C@@H]2CCC[N@@H+](C[C@@H](O)C[NH+]3CCCC3)C2)[nH]1 ZINC000760958088 581880927 /nfs/dbraw/zinc/88/09/27/581880927.db2.gz FJBPDAXJVXDTKR-KGLIPLIRSA-N 2 2 293.415 0.749 20 0 CCADLP Cc1n[nH]c([C@@H]2CCC[N@H+](C[C@@H](O)C[NH+]3CCCC3)C2)n1 ZINC000760958088 581880930 /nfs/dbraw/zinc/88/09/30/581880930.db2.gz FJBPDAXJVXDTKR-KGLIPLIRSA-N 2 2 293.415 0.749 20 0 CCADLP Cc1n[nH]c([C@@H]2CCC[N@@H+](C[C@@H](O)C[NH+]3CCCC3)C2)n1 ZINC000760958088 581880932 /nfs/dbraw/zinc/88/09/32/581880932.db2.gz FJBPDAXJVXDTKR-KGLIPLIRSA-N 2 2 293.415 0.749 20 0 CCADLP CS(=O)(=O)CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000745984850 581892357 /nfs/dbraw/zinc/89/23/57/581892357.db2.gz UBIIJUKLORUYQD-UHFFFAOYSA-N 2 2 257.359 0.634 20 0 CCADLP COC(=O)c1ncn(C[N@H+](C)CCCn2cc[nH+]c2C)n1 ZINC000746631735 581920874 /nfs/dbraw/zinc/92/08/74/581920874.db2.gz PBDWERARTYQDTM-UHFFFAOYSA-N 2 2 292.343 0.549 20 0 CCADLP COC(=O)c1ncn(C[N@@H+](C)CCCn2cc[nH+]c2C)n1 ZINC000746631735 581920877 /nfs/dbraw/zinc/92/08/77/581920877.db2.gz PBDWERARTYQDTM-UHFFFAOYSA-N 2 2 292.343 0.549 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)CC[NH+]1CCOCC1 ZINC000748405833 581974091 /nfs/dbraw/zinc/97/40/91/581974091.db2.gz MQFPWCVLZANONW-UHFFFAOYSA-N 2 2 252.318 0.057 20 0 CCADLP C[NH+](C)C1(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CCC1 ZINC000763034189 581979444 /nfs/dbraw/zinc/97/94/44/581979444.db2.gz VWUSTKABPFXJQV-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+](C)C1(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CCC1 ZINC000763034189 581979445 /nfs/dbraw/zinc/97/94/45/581979445.db2.gz VWUSTKABPFXJQV-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP CC(C)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C(=O)N1CCCC1 ZINC000775419898 582023514 /nfs/dbraw/zinc/02/35/14/582023514.db2.gz CARYLAWKMHBNDD-GJZGRUSLSA-N 2 2 297.443 0.680 20 0 CCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC000751370845 582076933 /nfs/dbraw/zinc/07/69/33/582076933.db2.gz WZYYOUJGNAVZOO-CYBMUJFWSA-N 2 2 294.399 0.666 20 0 CCADLP CCOC(=O)[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)CC)C1 ZINC000932637441 615292134 /nfs/dbraw/zinc/29/21/34/615292134.db2.gz ARNSOWLFNWAWLU-VXGBXAGGSA-N 2 2 258.362 0.184 20 0 CCADLP CC[C@H](O)[C@@H](C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000912386755 615833707 /nfs/dbraw/zinc/83/37/07/615833707.db2.gz IOWZLMVTRAAJQT-OLZOCXBDSA-N 2 2 273.421 0.393 20 0 CCADLP CC[C@H](O)[C@@H](C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000912386755 615833708 /nfs/dbraw/zinc/83/37/08/615833708.db2.gz IOWZLMVTRAAJQT-OLZOCXBDSA-N 2 2 273.421 0.393 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@@H+](CCCF)C[C@H]21 ZINC000963026230 649908029 /nfs/dbraw/zinc/90/80/29/649908029.db2.gz YCLAVOLMQZXSSF-PJXYFTJBSA-N 2 2 266.320 0.289 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@H+](CCCF)C[C@H]21 ZINC000963026230 649908030 /nfs/dbraw/zinc/90/80/30/649908030.db2.gz YCLAVOLMQZXSSF-PJXYFTJBSA-N 2 2 266.320 0.289 20 0 CCADLP CC(C)NC(=O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879590828 613915291 /nfs/dbraw/zinc/91/52/91/613915291.db2.gz LLOKERNBBKZIHC-UHFFFAOYSA-N 2 2 282.432 0.223 20 0 CCADLP CC(C)(C)CNC(=O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516017 613917083 /nfs/dbraw/zinc/91/70/83/613917083.db2.gz QZQDWTJLRMTQKK-NWDGAFQWSA-N 2 2 253.390 0.690 20 0 CCADLP CC(C)(C)CNC(=O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516017 613917085 /nfs/dbraw/zinc/91/70/85/613917085.db2.gz QZQDWTJLRMTQKK-NWDGAFQWSA-N 2 2 253.390 0.690 20 0 CCADLP CC(C)OCC[C@H](O)C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869218 614024028 /nfs/dbraw/zinc/02/40/28/614024028.db2.gz DSHHWLMUIBAROR-KBPBESRZSA-N 2 2 256.390 0.990 20 0 CCADLP CC(C)OCC[C@H](O)C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869218 614024030 /nfs/dbraw/zinc/02/40/30/614024030.db2.gz DSHHWLMUIBAROR-KBPBESRZSA-N 2 2 256.390 0.990 20 0 CCADLP CC(C)[C@H](C[NH2+][C@@H](C)c1cn(C)nn1)N1CC[NH+](C)CC1 ZINC000902740268 614210567 /nfs/dbraw/zinc/21/05/67/614210567.db2.gz QOZHWFQTDHOVOC-ZFWWWQNUSA-N 2 2 294.447 0.738 20 0 CCADLP CCC[C@H](O)CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000925860507 614422725 /nfs/dbraw/zinc/42/27/25/614422725.db2.gz YZYHQMOZHXEEIA-MJBXVCDLSA-N 2 2 256.390 0.894 20 0 CCADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCCNC(=O)C2)cc1 ZINC000872156650 617281144 /nfs/dbraw/zinc/28/11/44/617281144.db2.gz BTJPUJGNTABFBI-CYBMUJFWSA-N 2 2 277.368 0.559 20 0 CCADLP COc1ccc([C@H](C[NH3+])C[N@H+]2CCCNC(=O)C2)cc1 ZINC000872156650 617281145 /nfs/dbraw/zinc/28/11/45/617281145.db2.gz BTJPUJGNTABFBI-CYBMUJFWSA-N 2 2 277.368 0.559 20 0 CCADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000876965411 613190575 /nfs/dbraw/zinc/19/05/75/613190575.db2.gz CXHVYPYMHQVLQB-UPPHIEQOSA-N 2 2 293.411 0.331 20 0 CCADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000876755381 613209610 /nfs/dbraw/zinc/20/96/10/613209610.db2.gz YNADWCILFJUMME-UUSXEQNQSA-N 2 2 295.427 0.625 20 0 CCADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000876755381 613209613 /nfs/dbraw/zinc/20/96/13/613209613.db2.gz YNADWCILFJUMME-UUSXEQNQSA-N 2 2 295.427 0.625 20 0 CCADLP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869200 613226170 /nfs/dbraw/zinc/22/61/70/613226170.db2.gz DNUPCRUXQNCYPF-GOEBONIOSA-N 3 2 279.428 0.973 20 0 CCADLP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869200 613226172 /nfs/dbraw/zinc/22/61/72/613226172.db2.gz DNUPCRUXQNCYPF-GOEBONIOSA-N 3 2 279.428 0.973 20 0 CCADLP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869201 613226307 /nfs/dbraw/zinc/22/63/07/613226307.db2.gz DNUPCRUXQNCYPF-HOCLYGCPSA-N 3 2 279.428 0.973 20 0 CCADLP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869201 613226310 /nfs/dbraw/zinc/22/63/10/613226310.db2.gz DNUPCRUXQNCYPF-HOCLYGCPSA-N 3 2 279.428 0.973 20 0 CCADLP C([C@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869199 613226779 /nfs/dbraw/zinc/22/67/79/613226779.db2.gz DNUPCRUXQNCYPF-GDBMZVCRSA-N 3 2 279.428 0.973 20 0 CCADLP C([C@H]1CC2(CO1)CC[NH2+]CC2)[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869199 613226781 /nfs/dbraw/zinc/22/67/81/613226781.db2.gz DNUPCRUXQNCYPF-GDBMZVCRSA-N 3 2 279.428 0.973 20 0 CCADLP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000923365650 613228334 /nfs/dbraw/zinc/22/83/34/613228334.db2.gz TWCCDAJRVRPBPC-SOUVJXGZSA-N 3 2 279.428 0.971 20 0 CCADLP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000923365650 613228336 /nfs/dbraw/zinc/22/83/36/613228336.db2.gz TWCCDAJRVRPBPC-SOUVJXGZSA-N 3 2 279.428 0.971 20 0 CCADLP C([NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)[C@@H]1C[NH2+]CCO1 ZINC000925711430 613230187 /nfs/dbraw/zinc/23/01/87/613230187.db2.gz YZOCXQWHPWAMRD-DGAVXFQQSA-N 2 2 254.374 0.770 20 0 CCADLP C/C(=C/C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000900834209 613239355 /nfs/dbraw/zinc/23/93/55/613239355.db2.gz ZEHUCFXSEJRUQR-ZKHYDWRDSA-N 2 2 295.427 0.864 20 0 CCADLP C/C(=C/C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000900834209 613239356 /nfs/dbraw/zinc/23/93/56/613239356.db2.gz ZEHUCFXSEJRUQR-ZKHYDWRDSA-N 2 2 295.427 0.864 20 0 CCADLP C/C(=C/C(=O)N[C@H](C[NH+](C)C)C(C)C)C[NH+]1CCOCC1 ZINC000900692896 613239590 /nfs/dbraw/zinc/23/95/90/613239590.db2.gz LEQPFOQFCAGHLP-BAAYTWLHSA-N 2 2 297.443 0.967 20 0 CCADLP CC(C)[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000970768080 613970533 /nfs/dbraw/zinc/97/05/33/613970533.db2.gz VIBZDFMOLQBCAY-HUUCEWRRSA-N 2 2 295.427 0.696 20 0 CCADLP CC(C)OCC[C@@H](O)C[N@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000923329870 614023087 /nfs/dbraw/zinc/02/30/87/614023087.db2.gz QRWMRHPHKCUGKQ-UONOGXRCSA-N 2 2 256.390 0.989 20 0 CCADLP CC(C)OCC[C@@H](O)C[N@@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000923329870 614023090 /nfs/dbraw/zinc/02/30/90/614023090.db2.gz QRWMRHPHKCUGKQ-UONOGXRCSA-N 2 2 256.390 0.989 20 0 CCADLP CC(C)(CNC(=O)CCCCC[NH3+])[NH+]1CCOCC1 ZINC000040805171 614094354 /nfs/dbraw/zinc/09/43/54/614094354.db2.gz QMCXQPJOXSLJRJ-UHFFFAOYSA-N 2 2 271.405 0.733 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@H](O)C2(O)CCC2)C1 ZINC000899875184 614099816 /nfs/dbraw/zinc/09/98/16/614099816.db2.gz CSUCAVWLIWJEFE-KGLIPLIRSA-N 2 2 286.416 0.209 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@H](O)C2(O)CCC2)C1 ZINC000899875184 614099818 /nfs/dbraw/zinc/09/98/18/614099818.db2.gz CSUCAVWLIWJEFE-KGLIPLIRSA-N 2 2 286.416 0.209 20 0 CCADLP CC(C)([NH3+])CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000925741272 614161161 /nfs/dbraw/zinc/16/11/61/614161161.db2.gz OJSWTBAULVMZOL-UPJWGTAASA-N 3 2 255.406 0.861 20 0 CCADLP CC(C)[C@H](C(=O)N1CC[NH+](CCO)CC1)[NH+]1CCCC1 ZINC000957782861 614188214 /nfs/dbraw/zinc/18/82/14/614188214.db2.gz WPKAJEOXWSHKKW-CQSZACIVSA-N 2 2 283.416 0.243 20 0 CCADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCCO)CC1 ZINC000951195808 614331734 /nfs/dbraw/zinc/33/17/34/614331734.db2.gz MOTMQRHRSLBNNT-HNNXBMFYSA-N 2 2 297.443 0.776 20 0 CCADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCCO)CC1 ZINC000951195808 614331736 /nfs/dbraw/zinc/33/17/36/614331736.db2.gz MOTMQRHRSLBNNT-HNNXBMFYSA-N 2 2 297.443 0.776 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCc1c[nH+]cn1C ZINC000936024208 614344400 /nfs/dbraw/zinc/34/44/00/614344400.db2.gz IPPYWNNYEIPTLQ-GFCCVEGCSA-N 2 2 250.346 0.909 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCc1c[nH+]cn1C ZINC000936024208 614344402 /nfs/dbraw/zinc/34/44/02/614344402.db2.gz IPPYWNNYEIPTLQ-GFCCVEGCSA-N 2 2 250.346 0.909 20 0 CCADLP CC1(C)CC[N@H+](CC[NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000898034621 614547002 /nfs/dbraw/zinc/54/70/02/614547002.db2.gz SKDHKABEMZLEOY-LBPRGKRZSA-N 2 2 253.390 0.977 20 0 CCADLP CC1(C)CC[N@@H+](CC[NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000898034621 614547004 /nfs/dbraw/zinc/54/70/04/614547004.db2.gz SKDHKABEMZLEOY-LBPRGKRZSA-N 2 2 253.390 0.977 20 0 CCADLP CCN(C(=O)NCC[N@@H+]1CCOC(C)(C)C1)[C@H]1CC[NH2+]C1 ZINC000891473159 614599062 /nfs/dbraw/zinc/59/90/62/614599062.db2.gz SSCCEKDRNFXDJJ-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CCN(C(=O)NCC[N@H+]1CCOC(C)(C)C1)[C@H]1CC[NH2+]C1 ZINC000891473159 614599065 /nfs/dbraw/zinc/59/90/65/614599065.db2.gz SSCCEKDRNFXDJJ-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CCN(C(=O)N[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CC[NH2+]C1 ZINC000891818468 614605478 /nfs/dbraw/zinc/60/54/78/614605478.db2.gz IQSRUYUOIIXHDA-NWDGAFQWSA-N 2 2 277.372 0.591 20 0 CCADLP CCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C1C[NH+](C[C@@H](C)O)C1 ZINC000957424359 614617292 /nfs/dbraw/zinc/61/72/92/614617292.db2.gz PPOGUFARAXOFLS-HIFRSBDPSA-N 2 2 297.443 0.774 20 0 CCADLP CCN(C(=O)[C@@H]1CCCC[N@H+]1CC)C1C[NH+](C[C@@H](C)O)C1 ZINC000957424359 614617294 /nfs/dbraw/zinc/61/72/94/614617294.db2.gz PPOGUFARAXOFLS-HIFRSBDPSA-N 2 2 297.443 0.774 20 0 CCADLP CCC[NH+]1CCC([NH2+][C@@H](C)C(=O)N(C)OC)CC1 ZINC000858581681 614621614 /nfs/dbraw/zinc/62/16/14/614621614.db2.gz HWRVQPRTVRFJHS-NSHDSACASA-N 2 2 257.378 0.859 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CCO1 ZINC000876747163 614655489 /nfs/dbraw/zinc/65/54/89/614655489.db2.gz XMJOXSNZRFUDIH-RYUDHWBXSA-N 2 2 287.379 0.161 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CCO1 ZINC000876747163 614655492 /nfs/dbraw/zinc/65/54/92/614655492.db2.gz XMJOXSNZRFUDIH-RYUDHWBXSA-N 2 2 287.379 0.161 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@H](F)[C@H]2CC[NH2+]C2)CCO1 ZINC000876747162 614655794 /nfs/dbraw/zinc/65/57/94/614655794.db2.gz XMJOXSNZRFUDIH-NWDGAFQWSA-N 2 2 287.379 0.161 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@H](F)[C@H]2CC[NH2+]C2)CCO1 ZINC000876747162 614655796 /nfs/dbraw/zinc/65/57/96/614655796.db2.gz XMJOXSNZRFUDIH-NWDGAFQWSA-N 2 2 287.379 0.161 20 0 CCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](CO)c2c[nH+]cn2C)C1 ZINC000912612861 614672605 /nfs/dbraw/zinc/67/26/05/614672605.db2.gz SVHRGDWTDHUJNE-QWHCGFSZSA-N 2 2 294.399 0.692 20 0 CCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@H](CO)c2c[nH+]cn2C)C1 ZINC000912612861 614672607 /nfs/dbraw/zinc/67/26/07/614672607.db2.gz SVHRGDWTDHUJNE-QWHCGFSZSA-N 2 2 294.399 0.692 20 0 CCADLP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000902364194 614701348 /nfs/dbraw/zinc/70/13/48/614701348.db2.gz PNVUHYPODMWNLS-ZIAGYGMSSA-N 3 2 269.433 0.811 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000869286009 614707817 /nfs/dbraw/zinc/70/78/17/614707817.db2.gz YLZLXBAVDZORIN-VQTKUKTRSA-N 2 2 281.400 0.475 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000869286009 614707822 /nfs/dbraw/zinc/70/78/22/614707822.db2.gz YLZLXBAVDZORIN-VQTKUKTRSA-N 2 2 281.400 0.475 20 0 CCADLP CCC(=O)N1CC[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925557525 614732556 /nfs/dbraw/zinc/73/25/56/614732556.db2.gz CAHSEIRFXGZKLF-NWDGAFQWSA-N 2 2 251.374 0.872 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)/C=C(/C)C[NH+]2CCOCC2)C1 ZINC000912683259 614745350 /nfs/dbraw/zinc/74/53/50/614745350.db2.gz HNTPZLSMENWTMQ-SZGZABIGSA-N 2 2 295.427 0.865 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)/C=C(/C)C[NH+]2CCOCC2)C1 ZINC000912683259 614745354 /nfs/dbraw/zinc/74/53/54/614745354.db2.gz HNTPZLSMENWTMQ-SZGZABIGSA-N 2 2 295.427 0.865 20 0 CCADLP CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000960653776 614830287 /nfs/dbraw/zinc/83/02/87/614830287.db2.gz DYZHRPKQWZANTR-CXTNEJHOSA-N 2 2 288.395 0.902 20 0 CCADLP CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000960653776 614830291 /nfs/dbraw/zinc/83/02/91/614830291.db2.gz DYZHRPKQWZANTR-CXTNEJHOSA-N 2 2 288.395 0.902 20 0 CCADLP CCN(C)C(=O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879593443 614832952 /nfs/dbraw/zinc/83/29/52/614832952.db2.gz ZGGXPERXNALKNO-UHFFFAOYSA-N 2 2 282.432 0.177 20 0 CCADLP CC1(C)[C@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000911841599 614849357 /nfs/dbraw/zinc/84/93/57/614849357.db2.gz HCNLLCIYVPWPCJ-KGLIPLIRSA-N 2 2 295.427 0.698 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2ncccn2)C1 ZINC000886688735 614850975 /nfs/dbraw/zinc/85/09/75/614850975.db2.gz ZDROKRFHHNSCIG-ZIAGYGMSSA-N 2 2 278.400 0.969 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2ncccn2)C1 ZINC000886688735 614850976 /nfs/dbraw/zinc/85/09/76/614850976.db2.gz ZDROKRFHHNSCIG-ZIAGYGMSSA-N 2 2 278.400 0.969 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886688735 614850979 /nfs/dbraw/zinc/85/09/79/614850979.db2.gz ZDROKRFHHNSCIG-ZIAGYGMSSA-N 2 2 278.400 0.969 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886688735 614850981 /nfs/dbraw/zinc/85/09/81/614850981.db2.gz ZDROKRFHHNSCIG-ZIAGYGMSSA-N 2 2 278.400 0.969 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880585413 614851263 /nfs/dbraw/zinc/85/12/63/614851263.db2.gz RPRWTDUCLVQXER-UONOGXRCSA-N 2 2 286.416 0.162 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880585413 614851265 /nfs/dbraw/zinc/85/12/65/614851265.db2.gz RPRWTDUCLVQXER-UONOGXRCSA-N 2 2 286.416 0.162 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880585413 614851267 /nfs/dbraw/zinc/85/12/67/614851267.db2.gz RPRWTDUCLVQXER-UONOGXRCSA-N 2 2 286.416 0.162 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880585413 614851269 /nfs/dbraw/zinc/85/12/69/614851269.db2.gz RPRWTDUCLVQXER-UONOGXRCSA-N 2 2 286.416 0.162 20 0 CCADLP CC[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000960909702 614855575 /nfs/dbraw/zinc/85/55/75/614855575.db2.gz JSYSFXXRARACDT-LBPRGKRZSA-N 2 2 250.346 0.895 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000960909702 614855577 /nfs/dbraw/zinc/85/55/77/614855577.db2.gz JSYSFXXRARACDT-LBPRGKRZSA-N 2 2 250.346 0.895 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC([C@@]2(C)COC(=O)N2)CC1 ZINC000932097574 614866280 /nfs/dbraw/zinc/86/62/80/614866280.db2.gz BNJRMJGKWKNATG-DZGCQCFKSA-N 2 2 299.415 0.510 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC([C@@]2(C)COC(=O)N2)CC1 ZINC000932097574 614866283 /nfs/dbraw/zinc/86/62/83/614866283.db2.gz BNJRMJGKWKNATG-DZGCQCFKSA-N 2 2 299.415 0.510 20 0 CCADLP CCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000939862160 614904488 /nfs/dbraw/zinc/90/44/88/614904488.db2.gz XPAGMTWUJFUCQZ-VXGBXAGGSA-N 2 2 250.346 0.730 20 0 CCADLP CC[N@H+](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000971657708 614905771 /nfs/dbraw/zinc/90/57/71/614905771.db2.gz FQWHCACWUOJCOQ-LBPRGKRZSA-N 2 2 250.346 0.895 20 0 CCADLP CC[N@@H+](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000971657708 614905773 /nfs/dbraw/zinc/90/57/73/614905773.db2.gz FQWHCACWUOJCOQ-LBPRGKRZSA-N 2 2 250.346 0.895 20 0 CCADLP CC[N@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000971657708 614905775 /nfs/dbraw/zinc/90/57/75/614905775.db2.gz FQWHCACWUOJCOQ-LBPRGKRZSA-N 2 2 250.346 0.895 20 0 CCADLP CC[N@@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000971657708 614905778 /nfs/dbraw/zinc/90/57/78/614905778.db2.gz FQWHCACWUOJCOQ-LBPRGKRZSA-N 2 2 250.346 0.895 20 0 CCADLP CC1([NH+]2CCC2)CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000880472373 614912682 /nfs/dbraw/zinc/91/26/82/614912682.db2.gz LUQFOMHZQUCERF-UHFFFAOYSA-N 2 2 279.384 0.696 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[NH+](CC(OC)OC)CC1 ZINC000136759393 614988322 /nfs/dbraw/zinc/98/83/22/614988322.db2.gz RFTXCCSFSHRFJV-UHFFFAOYSA-N 2 2 287.404 0.091 20 0 CCADLP CC[NH+](CC)CCNC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000899904134 614994506 /nfs/dbraw/zinc/99/45/06/614994506.db2.gz HBFKMBMMQJRYBN-OWBHPGMISA-N 2 2 283.416 0.723 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000799123623 615003077 /nfs/dbraw/zinc/00/30/77/615003077.db2.gz DESYIBXQYIWHLK-RYUDHWBXSA-N 2 2 267.373 0.455 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000799123623 615003079 /nfs/dbraw/zinc/00/30/79/615003079.db2.gz DESYIBXQYIWHLK-RYUDHWBXSA-N 2 2 267.373 0.455 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923326831 615003118 /nfs/dbraw/zinc/00/31/18/615003118.db2.gz NRZUOAIXFIKMFQ-XUXIUFHCSA-N 3 2 255.406 0.501 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923326831 615003121 /nfs/dbraw/zinc/00/31/21/615003121.db2.gz NRZUOAIXFIKMFQ-XUXIUFHCSA-N 3 2 255.406 0.501 20 0 CCADLP CCN(OC)C(=O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000842768664 615076736 /nfs/dbraw/zinc/07/67/36/615076736.db2.gz CXCPDCOADHGDGZ-NEPJUHHUSA-N 2 2 255.362 0.613 20 0 CCADLP CCN(OC)C(=O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000842768664 615076738 /nfs/dbraw/zinc/07/67/38/615076738.db2.gz CXCPDCOADHGDGZ-NEPJUHHUSA-N 2 2 255.362 0.613 20 0 CCADLP CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000969980515 615090140 /nfs/dbraw/zinc/09/01/40/615090140.db2.gz KVKKEOMWGBCPEV-NEPJUHHUSA-N 2 2 276.384 0.902 20 0 CCADLP CC[NH+]1CCC(NC(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000864610789 615099949 /nfs/dbraw/zinc/09/99/49/615099949.db2.gz UBGWTGKJHFCFTA-ONEGZZNKSA-N 2 2 281.400 0.475 20 0 CCADLP CC[NH2+]C[C@H]1C[C@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000980709649 615101050 /nfs/dbraw/zinc/10/10/50/615101050.db2.gz YWQQXUFAMVDSAF-WDEREUQCSA-N 2 2 250.346 0.799 20 0 CCADLP CC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000939536808 615136933 /nfs/dbraw/zinc/13/69/33/615136933.db2.gz XEEYLBRPHLDTSO-PWSUYJOCSA-N 2 2 250.346 0.419 20 0 CCADLP CCN(C(=O)[C@H](O)c1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CC)C1 ZINC000869249086 615206229 /nfs/dbraw/zinc/20/62/29/615206229.db2.gz YBDMWVNDBLQJLU-ZYHUDNBSSA-N 2 2 266.345 0.386 20 0 CCADLP CCN(C(=O)[C@H](O)c1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CC)C1 ZINC000869249086 615206230 /nfs/dbraw/zinc/20/62/30/615206230.db2.gz YBDMWVNDBLQJLU-ZYHUDNBSSA-N 2 2 266.345 0.386 20 0 CCADLP CCOC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925644205 615232490 /nfs/dbraw/zinc/23/24/90/615232490.db2.gz ZEYHKDFMEDWNNG-GHMZBOCLSA-N 2 2 255.362 0.947 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000890061989 615244437 /nfs/dbraw/zinc/24/44/37/615244437.db2.gz MZZJLBZQVUTPHT-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000890061989 615244440 /nfs/dbraw/zinc/24/44/40/615244440.db2.gz MZZJLBZQVUTPHT-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+]2CC)CC1 ZINC000890070528 615253531 /nfs/dbraw/zinc/25/35/31/615253531.db2.gz ZCHZLDRGLYHOKD-CQSZACIVSA-N 2 2 298.431 0.444 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+]2CC)CC1 ZINC000890070528 615253533 /nfs/dbraw/zinc/25/35/33/615253533.db2.gz ZCHZLDRGLYHOKD-CQSZACIVSA-N 2 2 298.431 0.444 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000944155755 615281355 /nfs/dbraw/zinc/28/13/55/615281355.db2.gz PZHXUMTWCFYQQM-AAEUAGOBSA-N 2 2 264.373 0.809 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000944155755 615281356 /nfs/dbraw/zinc/28/13/56/615281356.db2.gz PZHXUMTWCFYQQM-AAEUAGOBSA-N 2 2 264.373 0.809 20 0 CCADLP CCOC(=O)[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000932637441 615292129 /nfs/dbraw/zinc/29/21/29/615292129.db2.gz ARNSOWLFNWAWLU-VXGBXAGGSA-N 2 2 258.362 0.184 20 0 CCADLP CCOC(=O)[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)CC)C1 ZINC000932637441 615292131 /nfs/dbraw/zinc/29/21/31/615292131.db2.gz ARNSOWLFNWAWLU-VXGBXAGGSA-N 2 2 258.362 0.184 20 0 CCADLP CCOC(=O)[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000932637441 615292127 /nfs/dbraw/zinc/29/21/27/615292127.db2.gz ARNSOWLFNWAWLU-VXGBXAGGSA-N 2 2 258.362 0.184 20 0 CCADLP CCOCC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880136914 615300611 /nfs/dbraw/zinc/30/06/11/615300611.db2.gz UPEWJGAFGRIJOG-MJBXVCDLSA-N 2 2 256.390 0.942 20 0 CCADLP CCOCC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880136914 615300614 /nfs/dbraw/zinc/30/06/14/615300614.db2.gz UPEWJGAFGRIJOG-MJBXVCDLSA-N 2 2 256.390 0.942 20 0 CCADLP CCOCC[C@H](O)C[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880136914 615300617 /nfs/dbraw/zinc/30/06/17/615300617.db2.gz UPEWJGAFGRIJOG-MJBXVCDLSA-N 2 2 256.390 0.942 20 0 CCADLP CCOCC[C@H](O)C[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880136914 615300620 /nfs/dbraw/zinc/30/06/20/615300620.db2.gz UPEWJGAFGRIJOG-MJBXVCDLSA-N 2 2 256.390 0.942 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000922157655 615308859 /nfs/dbraw/zinc/30/88/59/615308859.db2.gz BBVVGCCFACDALJ-OOPCZODUSA-N 2 2 267.373 0.085 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000922157655 615308863 /nfs/dbraw/zinc/30/88/63/615308863.db2.gz BBVVGCCFACDALJ-OOPCZODUSA-N 2 2 267.373 0.085 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCC1([NH3+])CCCC1 ZINC000854223565 615325857 /nfs/dbraw/zinc/32/58/57/615325857.db2.gz RZLGQHUFYNNBHX-WDEREUQCSA-N 2 2 255.362 0.141 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000863546623 615326662 /nfs/dbraw/zinc/32/66/62/615326662.db2.gz LUSYEZFGZJHFFR-FIQHERPVSA-N 2 2 255.362 0.010 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)C1(O)CCC1 ZINC000929811848 615328277 /nfs/dbraw/zinc/32/82/77/615328277.db2.gz DMKKPGSRKVJJJW-RDBSUJKOSA-N 2 2 268.401 0.821 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)C1(O)CCC1 ZINC000929811848 615328278 /nfs/dbraw/zinc/32/82/78/615328278.db2.gz DMKKPGSRKVJJJW-RDBSUJKOSA-N 2 2 268.401 0.821 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)C1(O)CCC1 ZINC000929811848 615328283 /nfs/dbraw/zinc/32/82/83/615328283.db2.gz DMKKPGSRKVJJJW-RDBSUJKOSA-N 2 2 268.401 0.821 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)C1(O)CCC1 ZINC000929811848 615328286 /nfs/dbraw/zinc/32/82/86/615328286.db2.gz DMKKPGSRKVJJJW-RDBSUJKOSA-N 2 2 268.401 0.821 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)C1(O)CCOCC1 ZINC000929814427 615328940 /nfs/dbraw/zinc/32/89/40/615328940.db2.gz OBWCRZGKSOJGAI-QLFBSQMISA-N 2 2 298.427 0.447 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)C1(O)CCOCC1 ZINC000929814427 615328943 /nfs/dbraw/zinc/32/89/43/615328943.db2.gz OBWCRZGKSOJGAI-QLFBSQMISA-N 2 2 298.427 0.447 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)C1(O)CCOCC1 ZINC000929814427 615328944 /nfs/dbraw/zinc/32/89/44/615328944.db2.gz OBWCRZGKSOJGAI-QLFBSQMISA-N 2 2 298.427 0.447 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)C1(O)CCOCC1 ZINC000929814427 615328946 /nfs/dbraw/zinc/32/89/46/615328946.db2.gz OBWCRZGKSOJGAI-QLFBSQMISA-N 2 2 298.427 0.447 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903955731 615334975 /nfs/dbraw/zinc/33/49/75/615334975.db2.gz AUOQOWFMCMAQRE-UWVGGRQHSA-N 2 2 284.372 0.644 20 0 CCADLP CC[C@@H](C(=O)NCC(C)(C)[NH3+])[N@@H+]1CCO[C@H](CC)C1 ZINC000911847567 615380326 /nfs/dbraw/zinc/38/03/26/615380326.db2.gz ZNTIZWRWTPANBX-NEPJUHHUSA-N 2 2 271.405 0.729 20 0 CCADLP CC[C@@H](C(=O)NCC(C)(C)[NH3+])[N@H+]1CCO[C@H](CC)C1 ZINC000911847567 615380329 /nfs/dbraw/zinc/38/03/29/615380329.db2.gz ZNTIZWRWTPANBX-NEPJUHHUSA-N 2 2 271.405 0.729 20 0 CCADLP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000866665380 615386368 /nfs/dbraw/zinc/38/63/68/615386368.db2.gz CLLJVCZBVGEDHZ-KBPBESRZSA-N 2 2 279.384 0.964 20 0 CCADLP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000866665380 615386370 /nfs/dbraw/zinc/38/63/70/615386370.db2.gz CLLJVCZBVGEDHZ-KBPBESRZSA-N 2 2 279.384 0.964 20 0 CCADLP CC[C@@H](C[NH+]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1)OC ZINC000950732802 615475892 /nfs/dbraw/zinc/47/58/92/615475892.db2.gz ZEOSZIMXHSJHDL-ZDUSSCGKSA-N 2 2 280.372 0.521 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000925583338 615477836 /nfs/dbraw/zinc/47/78/36/615477836.db2.gz FKJXWAGGVWRRFC-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP CCO[C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C[NH+](C)C ZINC000831719326 615482955 /nfs/dbraw/zinc/48/29/55/615482955.db2.gz RDRAQXAQNMUDCG-GXTWGEPZSA-N 2 2 294.399 0.528 20 0 CCADLP CC[C@@H](CO)Nc1cc(NC[C@@](C)(O)C[NH+](C)C)[nH+]cn1 ZINC000892955269 615491792 /nfs/dbraw/zinc/49/17/92/615491792.db2.gz IAVWAOWCNXBXKO-SMDDNHRTSA-N 2 2 297.403 0.384 20 0 CCADLP CC[C@@H](CO)Nc1cc(NC[C@@](C)(O)C[NH+](C)C)nc[nH+]1 ZINC000892955269 615491793 /nfs/dbraw/zinc/49/17/93/615491793.db2.gz IAVWAOWCNXBXKO-SMDDNHRTSA-N 2 2 297.403 0.384 20 0 CCADLP CCS(=O)(=O)CC[NH2+]C[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000819151683 615537702 /nfs/dbraw/zinc/53/77/02/615537702.db2.gz DMXYHNRONXAFMP-ZDUSSCGKSA-N 2 2 276.446 0.989 20 0 CCADLP CCS(=O)(=O)CC[NH2+]C[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000819151683 615537703 /nfs/dbraw/zinc/53/77/03/615537703.db2.gz DMXYHNRONXAFMP-ZDUSSCGKSA-N 2 2 276.446 0.989 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000877432727 615568519 /nfs/dbraw/zinc/56/85/19/615568519.db2.gz FZRMQYVEPPADAB-FRRDWIJNSA-N 2 2 283.416 0.587 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000877432727 615568520 /nfs/dbraw/zinc/56/85/20/615568520.db2.gz FZRMQYVEPPADAB-FRRDWIJNSA-N 2 2 283.416 0.587 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CC(F)F ZINC000877435018 615568738 /nfs/dbraw/zinc/56/87/38/615568738.db2.gz XDCUJHVOVGJUNL-NXEZZACHSA-N 2 2 279.331 0.196 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]([NH3+])CC(F)F ZINC000877435018 615568739 /nfs/dbraw/zinc/56/87/39/615568739.db2.gz XDCUJHVOVGJUNL-NXEZZACHSA-N 2 2 279.331 0.196 20 0 CCADLP CCc1cc(C[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)[nH]n1 ZINC000817893780 615650903 /nfs/dbraw/zinc/65/09/03/615650903.db2.gz VPISPPREUJTTOS-ZWNOBZJWSA-N 2 2 252.362 0.829 20 0 CCADLP CC[C@H](O)C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000905447328 615830287 /nfs/dbraw/zinc/83/02/87/615830287.db2.gz QIBDTTAHZXWYQK-CABCVRRESA-N 2 2 285.432 0.144 20 0 CCADLP CC[C@H](O)[C@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900674732 615843167 /nfs/dbraw/zinc/84/31/67/615843167.db2.gz NIIWPKBRDDVKIB-YDHLFZDLSA-N 2 2 297.443 0.678 20 0 CCADLP CC[C@H](O)[C@H](C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900674732 615843168 /nfs/dbraw/zinc/84/31/68/615843168.db2.gz NIIWPKBRDDVKIB-YDHLFZDLSA-N 2 2 297.443 0.678 20 0 CCADLP C[NH+](C)C1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CCC1 ZINC000849020555 615845993 /nfs/dbraw/zinc/84/59/93/615845993.db2.gz GIHSEKGLARVZJO-UHFFFAOYSA-N 3 2 297.447 0.307 20 0 CCADLP C[NH+](C)CC1(C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)CC1 ZINC000913457786 615869401 /nfs/dbraw/zinc/86/94/01/615869401.db2.gz GCMRZSYXWICIPO-LBPRGKRZSA-N 2 2 277.372 0.224 20 0 CCADLP CC[C@H]1C(=O)N(CC)CC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903464113 615869819 /nfs/dbraw/zinc/86/98/19/615869819.db2.gz ZXLFQKGGYILXRR-AGIUHOORSA-N 2 2 253.390 0.785 20 0 CCADLP CC[C@H]1C(=O)N(CC)CC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903464113 615869821 /nfs/dbraw/zinc/86/98/21/615869821.db2.gz ZXLFQKGGYILXRR-AGIUHOORSA-N 2 2 253.390 0.785 20 0 CCADLP Cn1cncc1CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000854066810 615879650 /nfs/dbraw/zinc/87/96/50/615879650.db2.gz GCIHUSPAUHBNGN-UHFFFAOYSA-N 2 2 296.419 0.103 20 0 CCADLP Cn1cncc1CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000854066810 615879652 /nfs/dbraw/zinc/87/96/52/615879652.db2.gz GCIHUSPAUHBNGN-UHFFFAOYSA-N 2 2 296.419 0.103 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000818972155 615909966 /nfs/dbraw/zinc/90/99/66/615909966.db2.gz SSCDBQSRBKEWHL-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000818972155 615909968 /nfs/dbraw/zinc/90/99/68/615909968.db2.gz SSCDBQSRBKEWHL-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP C[NH+](C)C[C@@H]1NC(=O)N(CCCNc2cccc[nH+]2)C1=O ZINC000924484921 615932058 /nfs/dbraw/zinc/93/20/58/615932058.db2.gz DBAVNHUGDBNTOI-NSHDSACASA-N 2 2 291.355 0.366 20 0 CCADLP C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865161657 615945301 /nfs/dbraw/zinc/94/53/01/615945301.db2.gz OJUMFVWGZBLTMK-ZYHUDNBSSA-N 2 2 266.345 0.386 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858153985 615951468 /nfs/dbraw/zinc/95/14/68/615951468.db2.gz WOLLZRPTIJZWRS-GXTWGEPZSA-N 3 2 257.422 0.761 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858153985 615951470 /nfs/dbraw/zinc/95/14/70/615951470.db2.gz WOLLZRPTIJZWRS-GXTWGEPZSA-N 3 2 257.422 0.761 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000875344492 615978540 /nfs/dbraw/zinc/97/85/40/615978540.db2.gz ANOIOGRYWUGZRF-RWMBFGLXSA-N 2 2 291.399 0.980 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000847373430 615984960 /nfs/dbraw/zinc/98/49/60/615984960.db2.gz JOEROMJLVZKGBM-PHIMTYICSA-N 2 2 265.361 0.560 20 0 CCADLP C[NH+](C)[C@@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1(C)C ZINC000824095143 615986219 /nfs/dbraw/zinc/98/62/19/615986219.db2.gz QAOFQXYMNHQKPI-VHSXEESVSA-N 2 2 250.346 0.797 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)c1ccco1 ZINC000899957159 615991051 /nfs/dbraw/zinc/99/10/51/615991051.db2.gz JHMLOXOPKGFSEU-ZOWXZIJZSA-N 2 2 295.383 0.454 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C)c1ccco1 ZINC000899957159 615991053 /nfs/dbraw/zinc/99/10/53/615991053.db2.gz JHMLOXOPKGFSEU-ZOWXZIJZSA-N 2 2 295.383 0.454 20 0 CCADLP C[NH+](C)[C@H]1CCCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000867812949 615992091 /nfs/dbraw/zinc/99/20/91/615992091.db2.gz OLZRTMQKOXNODH-CMPLNLGQSA-N 2 2 266.345 0.386 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H](O)C[C@](C)(O)C3CC3)C[C@H]21 ZINC000931278489 615998415 /nfs/dbraw/zinc/99/84/15/615998415.db2.gz YFWWACMYCOPPEO-MRLBHPIUSA-N 2 2 268.401 0.390 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H](O)C[C@](C)(O)C3CC3)C[C@H]21 ZINC000931278489 615998418 /nfs/dbraw/zinc/99/84/18/615998418.db2.gz YFWWACMYCOPPEO-MRLBHPIUSA-N 2 2 268.401 0.390 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)[C@H](CO)C1)CC(C)(C)C ZINC000913539742 616044000 /nfs/dbraw/zinc/04/40/00/616044000.db2.gz GQTJBWUZNQQXHO-LBPRGKRZSA-N 2 2 271.405 0.099 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)[C@H](CO)C1)CC(C)(C)C ZINC000913539742 616044001 /nfs/dbraw/zinc/04/40/01/616044001.db2.gz GQTJBWUZNQQXHO-LBPRGKRZSA-N 2 2 271.405 0.099 20 0 CCADLP C[NH+](CC(=O)N1CC[N@H+](C)[C@H](CO)C1)CC(C)(C)C ZINC000913539742 616044002 /nfs/dbraw/zinc/04/40/02/616044002.db2.gz GQTJBWUZNQQXHO-LBPRGKRZSA-N 2 2 271.405 0.099 20 0 CCADLP C[NH+](CC(=O)N1CC[N@@H+](C)[C@H](CO)C1)CC(C)(C)C ZINC000913539742 616044003 /nfs/dbraw/zinc/04/40/03/616044003.db2.gz GQTJBWUZNQQXHO-LBPRGKRZSA-N 2 2 271.405 0.099 20 0 CCADLP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000911865504 616051062 /nfs/dbraw/zinc/05/10/62/616051062.db2.gz RTAAEPUITAHUEH-GHMZBOCLSA-N 2 2 264.373 0.967 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+](C[C@@H]2C[C@H]3COC[C@@H]3O2)CC1 ZINC000929657804 616075878 /nfs/dbraw/zinc/07/58/78/616075878.db2.gz PDNNBVGOBANGFN-BPUTZDHNSA-N 2 2 298.427 0.569 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+](C[C@@H]2C[C@H]3COC[C@@H]3O2)CC1 ZINC000929657804 616075879 /nfs/dbraw/zinc/07/58/79/616075879.db2.gz PDNNBVGOBANGFN-BPUTZDHNSA-N 2 2 298.427 0.569 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843490813 616076443 /nfs/dbraw/zinc/07/64/43/616076443.db2.gz CPDUCXDEILUVNS-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP CN(CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)CCOCCO ZINC000926858714 616096559 /nfs/dbraw/zinc/09/65/59/616096559.db2.gz PFYJWUYZWHNIOS-CVEARBPZSA-N 2 2 299.459 0.534 20 0 CCADLP CN(CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)CCOCCO ZINC000926858714 616096560 /nfs/dbraw/zinc/09/65/60/616096560.db2.gz PFYJWUYZWHNIOS-CVEARBPZSA-N 2 2 299.459 0.534 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]CC[S@@](=O)C(C)(C)C)C1CC1 ZINC000819055969 616149550 /nfs/dbraw/zinc/14/95/50/616149550.db2.gz IMURDFVWQGRVCP-KZULUSFZSA-N 2 2 276.446 0.578 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]CC[S@@](=O)C(C)(C)C)C1CC1 ZINC000819055969 616149551 /nfs/dbraw/zinc/14/95/51/616149551.db2.gz IMURDFVWQGRVCP-KZULUSFZSA-N 2 2 276.446 0.578 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]CCOC1CCOCC1)C1CC1 ZINC000905606244 616149679 /nfs/dbraw/zinc/14/96/79/616149679.db2.gz DTTMLTIKFLTPFI-CYBMUJFWSA-N 2 2 272.389 0.227 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]CCOC1CCOCC1)C1CC1 ZINC000905606244 616149680 /nfs/dbraw/zinc/14/96/80/616149680.db2.gz DTTMLTIKFLTPFI-CYBMUJFWSA-N 2 2 272.389 0.227 20 0 CCADLP C[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C1(C[NH3+])CCC1 ZINC000903749583 616151584 /nfs/dbraw/zinc/15/15/84/616151584.db2.gz MJGOMYBPLNMEHJ-CYBMUJFWSA-N 3 2 267.417 0.958 20 0 CCADLP C[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C1(C[NH3+])CCC1 ZINC000903749583 616151585 /nfs/dbraw/zinc/15/15/85/616151585.db2.gz MJGOMYBPLNMEHJ-CYBMUJFWSA-N 3 2 267.417 0.958 20 0 CCADLP CN1C(=O)[C@H]2C[N@H+](C[C@@H]([NH3+])CCC(C)(C)C)C[C@H]2C1=O ZINC000904384979 616158302 /nfs/dbraw/zinc/15/83/02/616158302.db2.gz QJVDPJMFPKMLEC-SDDRHHMPSA-N 2 2 281.400 0.687 20 0 CCADLP CN1C(=O)[C@H]2C[N@@H+](C[C@@H]([NH3+])CCC(C)(C)C)C[C@H]2C1=O ZINC000904384979 616158304 /nfs/dbraw/zinc/15/83/04/616158304.db2.gz QJVDPJMFPKMLEC-SDDRHHMPSA-N 2 2 281.400 0.687 20 0 CCADLP C[N@H+]1CC=C(CNC(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000867229481 616165287 /nfs/dbraw/zinc/16/52/87/616165287.db2.gz IPIDRPDNUQREGR-NSCUHMNNSA-N 2 2 279.384 0.253 20 0 CCADLP C[N@@H+]1CC=C(CNC(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000867229481 616165288 /nfs/dbraw/zinc/16/52/88/616165288.db2.gz IPIDRPDNUQREGR-NSCUHMNNSA-N 2 2 279.384 0.253 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCF)C2)CC1 ZINC000900672237 616171869 /nfs/dbraw/zinc/17/18/69/616171869.db2.gz AXFONQDVDHUJKC-LLVKDONJSA-N 2 2 257.353 0.631 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCF)C2)CC1 ZINC000900672237 616171871 /nfs/dbraw/zinc/17/18/71/616171871.db2.gz AXFONQDVDHUJKC-LLVKDONJSA-N 2 2 257.353 0.631 20 0 CCADLP C[NH+]1CCC(NC(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000864598261 616172698 /nfs/dbraw/zinc/17/26/98/616172698.db2.gz ZIBWNNTVJGOLDB-NSCUHMNNSA-N 2 2 267.373 0.085 20 0 CCADLP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1cccnc1 ZINC000878298042 616172888 /nfs/dbraw/zinc/17/28/88/616172888.db2.gz FGIQOGSXSVCCFU-UHFFFAOYSA-N 2 2 276.384 0.724 20 0 CCADLP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1cccnc1 ZINC000878298042 616172889 /nfs/dbraw/zinc/17/28/89/616172889.db2.gz FGIQOGSXSVCCFU-UHFFFAOYSA-N 2 2 276.384 0.724 20 0 CCADLP C[NH+]1CCC(ONC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000822724117 616176115 /nfs/dbraw/zinc/17/61/15/616176115.db2.gz AFAUDCSMLFTBDY-GHMZBOCLSA-N 2 2 264.329 0.655 20 0 CCADLP C[NH+]1CCC(ONC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000822724117 616176116 /nfs/dbraw/zinc/17/61/16/616176116.db2.gz AFAUDCSMLFTBDY-GHMZBOCLSA-N 2 2 264.329 0.655 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000858464928 616181939 /nfs/dbraw/zinc/18/19/39/616181939.db2.gz SSOYBNKIXCQADN-GFCCVEGCSA-N 2 2 279.388 0.951 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000858464928 616181940 /nfs/dbraw/zinc/18/19/40/616181940.db2.gz SSOYBNKIXCQADN-GFCCVEGCSA-N 2 2 279.388 0.951 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[NH+](CCF)CC1(C)C ZINC000972857349 616194484 /nfs/dbraw/zinc/19/44/84/616194484.db2.gz GIPTYKHCYUOQCS-NEPJUHHUSA-N 2 2 271.380 0.877 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[NH+](CCF)CC1(C)C ZINC000972857349 616194485 /nfs/dbraw/zinc/19/44/85/616194485.db2.gz GIPTYKHCYUOQCS-NEPJUHHUSA-N 2 2 271.380 0.877 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[N@H+](CCF)CC1(C)C ZINC000972857349 616194486 /nfs/dbraw/zinc/19/44/86/616194486.db2.gz GIPTYKHCYUOQCS-NEPJUHHUSA-N 2 2 271.380 0.877 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[N@@H+](CCF)CC1(C)C ZINC000972857349 616194487 /nfs/dbraw/zinc/19/44/87/616194487.db2.gz GIPTYKHCYUOQCS-NEPJUHHUSA-N 2 2 271.380 0.877 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000928072702 616212671 /nfs/dbraw/zinc/21/26/71/616212671.db2.gz GWOMNCYJNJRVKE-AVGNSLFASA-N 2 2 283.441 0.777 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928072702 616212673 /nfs/dbraw/zinc/21/26/73/616212673.db2.gz GWOMNCYJNJRVKE-AVGNSLFASA-N 2 2 283.441 0.777 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928072702 616212674 /nfs/dbraw/zinc/21/26/74/616212674.db2.gz GWOMNCYJNJRVKE-AVGNSLFASA-N 2 2 283.441 0.777 20 0 CCADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnc(N)cn3)CC[C@H]21 ZINC000300068603 616215539 /nfs/dbraw/zinc/21/55/39/616215539.db2.gz PFYGLEOJDXRFFS-WCQYABFASA-N 2 2 261.373 0.975 20 0 CCADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnc(N)cn3)CC[C@H]21 ZINC000300068603 616215540 /nfs/dbraw/zinc/21/55/40/616215540.db2.gz PFYGLEOJDXRFFS-WCQYABFASA-N 2 2 261.373 0.975 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnc(N)cn3)CC[C@H]21 ZINC000300068603 616215541 /nfs/dbraw/zinc/21/55/41/616215541.db2.gz PFYGLEOJDXRFFS-WCQYABFASA-N 2 2 261.373 0.975 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnc(N)cn3)CC[C@H]21 ZINC000300068603 616215542 /nfs/dbraw/zinc/21/55/42/616215542.db2.gz PFYGLEOJDXRFFS-WCQYABFASA-N 2 2 261.373 0.975 20 0 CCADLP C[N@@H+]1CCC[C@](O)(CC(=O)NCC(C)(C)n2cc[nH+]c2)C1 ZINC000912613742 616218132 /nfs/dbraw/zinc/21/81/32/616218132.db2.gz AGICNDJUVMVCLL-HNNXBMFYSA-N 2 2 294.399 0.581 20 0 CCADLP C[N@H+]1CCC[C@](O)(CC(=O)NCC(C)(C)n2cc[nH+]c2)C1 ZINC000912613742 616218133 /nfs/dbraw/zinc/21/81/33/616218133.db2.gz AGICNDJUVMVCLL-HNNXBMFYSA-N 2 2 294.399 0.581 20 0 CCADLP C[N@@H+]1CCC[C@](O)(CC(=O)N[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000911570175 616219144 /nfs/dbraw/zinc/21/91/44/616219144.db2.gz GRBYKUPPWTWLPA-WFASDCNBSA-N 2 2 292.383 0.161 20 0 CCADLP C[N@H+]1CCC[C@](O)(CC(=O)N[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000911570175 616219145 /nfs/dbraw/zinc/21/91/45/616219145.db2.gz GRBYKUPPWTWLPA-WFASDCNBSA-N 2 2 292.383 0.161 20 0 CCADLP C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](O)c3c[nH+]c[nH]3)C2)C1 ZINC000868571661 616219472 /nfs/dbraw/zinc/21/94/72/616219472.db2.gz LKBGWCYOJYCRSV-JSGCOSHPSA-N 2 2 278.356 0.387 20 0 CCADLP C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](O)c3c[nH+]c[nH]3)C2)C1 ZINC000868571661 616219473 /nfs/dbraw/zinc/21/94/73/616219473.db2.gz LKBGWCYOJYCRSV-JSGCOSHPSA-N 2 2 278.356 0.387 20 0 CCADLP C[N@@H+]1CCN(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1(C)C ZINC000925663667 616242000 /nfs/dbraw/zinc/24/20/00/616242000.db2.gz WAONIZXBTBBAAF-CQSZACIVSA-N 3 2 280.460 0.887 20 0 CCADLP C[N@H+]1CCN(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1(C)C ZINC000925663667 616242001 /nfs/dbraw/zinc/24/20/01/616242001.db2.gz WAONIZXBTBBAAF-CQSZACIVSA-N 3 2 280.460 0.887 20 0 CCADLP C[NH+]1CCN(Cc2cn(Cc3ccc(N)[nH+]c3)nn2)CC1 ZINC000905817986 616245624 /nfs/dbraw/zinc/24/56/24/616245624.db2.gz YIWZZZOHDKLWOV-UHFFFAOYSA-N 2 2 287.371 0.051 20 0 CCADLP C[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC12CCCCC2 ZINC000908573767 616251411 /nfs/dbraw/zinc/25/14/11/616251411.db2.gz PJHAQLIBKIGBPS-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC12CCCCC2 ZINC000908573767 616251412 /nfs/dbraw/zinc/25/14/12/616251412.db2.gz PJHAQLIBKIGBPS-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](C)C3(CCCCC3)C2)C1 ZINC000908573767 616251413 /nfs/dbraw/zinc/25/14/13/616251413.db2.gz PJHAQLIBKIGBPS-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000933176395 616307931 /nfs/dbraw/zinc/30/79/31/616307931.db2.gz WMOGHKSENBNXOE-MCIONIFRSA-N 2 2 284.400 0.717 20 0 CCADLP COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000933176395 616307936 /nfs/dbraw/zinc/30/79/36/616307936.db2.gz WMOGHKSENBNXOE-MCIONIFRSA-N 2 2 284.400 0.717 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)NCCn3cc[nH+]c3)CC[C@@H]21 ZINC000864423327 616319664 /nfs/dbraw/zinc/31/96/64/616319664.db2.gz URNJMNZYXQFBFK-OLZOCXBDSA-N 2 2 277.372 0.619 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)NCCn3cc[nH+]c3)CC[C@@H]21 ZINC000864423327 616319669 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C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000900449514 616342473 /nfs/dbraw/zinc/34/24/73/616342473.db2.gz SWSAKXUIPCGYQB-DZGCQCFKSA-N 2 2 292.383 0.502 20 0 CCADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000900449514 616342480 /nfs/dbraw/zinc/34/24/80/616342480.db2.gz SWSAKXUIPCGYQB-DZGCQCFKSA-N 2 2 292.383 0.502 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)C[C@@H]1CCC(=O)N1 ZINC000813324835 616348616 /nfs/dbraw/zinc/34/86/16/616348616.db2.gz BFUCALUVEBZNBU-HZSPNIEDSA-N 2 2 283.416 0.744 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)C[C@@H]1CCC(=O)N1 ZINC000813324835 616348620 /nfs/dbraw/zinc/34/86/20/616348620.db2.gz BFUCALUVEBZNBU-HZSPNIEDSA-N 2 2 283.416 0.744 20 0 CCADLP COC/C(C)=C/C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000930904722 616372657 /nfs/dbraw/zinc/37/26/57/616372657.db2.gz VDMYTAJDTYPOQR-YGLIYXGISA-N 2 2 256.390 0.968 20 0 CCADLP COC/C(C)=C/C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000930904722 616372659 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COC/C=C/C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000865751184 616401557 /nfs/dbraw/zinc/40/15/57/616401557.db2.gz WTHMDSUCJOBBDM-OOPCZODUSA-N 2 2 281.400 0.474 20 0 CCADLP COCC[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC000977534711 616435580 /nfs/dbraw/zinc/43/55/80/616435580.db2.gz MHUODXQDRBQJCL-CYBMUJFWSA-N 2 2 294.399 0.734 20 0 CCADLP COCC[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC000977534711 616435582 /nfs/dbraw/zinc/43/55/82/616435582.db2.gz MHUODXQDRBQJCL-CYBMUJFWSA-N 2 2 294.399 0.734 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827276746 616436123 /nfs/dbraw/zinc/43/61/23/616436123.db2.gz FJIXSGOHKDMPHC-JSGCOSHPSA-N 2 2 276.384 0.905 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827276746 616436129 /nfs/dbraw/zinc/43/61/29/616436129.db2.gz FJIXSGOHKDMPHC-JSGCOSHPSA-N 2 2 276.384 0.905 20 0 CCADLP CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879572313 616444909 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COC(=O)CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000906677069 616470694 /nfs/dbraw/zinc/47/06/94/616470694.db2.gz JAPVMVQDBPXNJX-UHFFFAOYSA-N 2 2 285.388 0.034 20 0 CCADLP COC(=O)CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000906677069 616470699 /nfs/dbraw/zinc/47/06/99/616470699.db2.gz JAPVMVQDBPXNJX-UHFFFAOYSA-N 2 2 285.388 0.034 20 0 CCADLP COCCNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000848983821 616482983 /nfs/dbraw/zinc/48/29/83/616482983.db2.gz KIJCVYKUEBODRA-LBPRGKRZSA-N 2 2 272.393 0.104 20 0 CCADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000907794092 616496205 /nfs/dbraw/zinc/49/62/05/616496205.db2.gz OZJKRNINHYZRLI-UKTARXLSSA-N 2 2 299.390 0.086 20 0 CCADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000907794092 616496207 /nfs/dbraw/zinc/49/62/07/616496207.db2.gz OZJKRNINHYZRLI-UKTARXLSSA-N 2 2 299.390 0.086 20 0 CCADLP COCC[C@H](CO)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926351847 616668225 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COC(=O)C[C@H]([NH3+])C(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000827971393 616693137 /nfs/dbraw/zinc/69/31/37/616693137.db2.gz WYFRODKXOBCZNL-JTQLQIEISA-N 2 2 295.339 0.214 20 0 CCADLP COCC(COC)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000931067541 616724982 /nfs/dbraw/zinc/72/49/82/616724982.db2.gz VVVRPBGIMAPEPK-AWEZNQCLSA-N 2 2 272.389 0.179 20 0 CCADLP COCC(COC)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000931067541 616724986 /nfs/dbraw/zinc/72/49/86/616724986.db2.gz VVVRPBGIMAPEPK-AWEZNQCLSA-N 2 2 272.389 0.179 20 0 CCADLP CO[C@@H]1COCC[C@@H]1[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000880437360 616799895 /nfs/dbraw/zinc/79/98/95/616799895.db2.gz JTBBXUAILIQBNT-HZSPNIEDSA-N 2 2 272.389 0.177 20 0 CCADLP CO[C@@H]1COCC[C@@H]1[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000880437360 616799898 /nfs/dbraw/zinc/79/98/98/616799898.db2.gz JTBBXUAILIQBNT-HZSPNIEDSA-N 2 2 272.389 0.177 20 0 CCADLP CO[C@@H]1COCC[C@@H]1[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000880437360 616799902 /nfs/dbraw/zinc/79/99/02/616799902.db2.gz JTBBXUAILIQBNT-HZSPNIEDSA-N 2 2 272.389 0.177 20 0 CCADLP CO[C@@H]1COCC[C@@H]1[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000880437360 616799903 /nfs/dbraw/zinc/79/99/03/616799903.db2.gz JTBBXUAILIQBNT-HZSPNIEDSA-N 2 2 272.389 0.177 20 0 CCADLP COC(=O)N1CC([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000848536415 616805867 /nfs/dbraw/zinc/80/58/67/616805867.db2.gz RTLIDPBTYDDZOB-CYBMUJFWSA-N 2 2 283.372 0.280 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+](C)Cc1cccc(C(N)=O)c1 ZINC000846218391 617001588 /nfs/dbraw/zinc/00/15/88/617001588.db2.gz MYXPSBFJJOPPEE-AWEZNQCLSA-N 2 2 265.357 0.188 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+](C)Cc1cccc(C(N)=O)c1 ZINC000846218391 617001595 /nfs/dbraw/zinc/00/15/95/617001595.db2.gz MYXPSBFJJOPPEE-AWEZNQCLSA-N 2 2 265.357 0.188 20 0 CCADLP COCCN(CC[NH+](C)C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000900587060 617014070 /nfs/dbraw/zinc/01/40/70/617014070.db2.gz JZOYUDRVDRBXPC-UHFFFAOYSA-N 2 2 296.415 0.963 20 0 CCADLP CON1CCC([NH2+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000926223163 617088519 /nfs/dbraw/zinc/08/85/19/617088519.db2.gz BLAPEJSSIULWAB-GFCCVEGCSA-N 2 2 250.346 0.813 20 0 CCADLP CONC(=O)C1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000879926555 617108640 /nfs/dbraw/zinc/10/86/40/617108640.db2.gz VSWQCVALKUULOX-CYBMUJFWSA-N 2 2 287.404 0.077 20 0 CCADLP CONC(=O)C1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000879926555 617108642 /nfs/dbraw/zinc/10/86/42/617108642.db2.gz VSWQCVALKUULOX-CYBMUJFWSA-N 2 2 287.404 0.077 20 0 CCADLP CONC(=O)C1CC[NH+](C[C@H]([NH3+])CC(C)C)CC1 ZINC000873227078 617108769 /nfs/dbraw/zinc/10/87/69/617108769.db2.gz GNJAPHGEGIUVGN-GFCCVEGCSA-N 2 2 257.378 0.749 20 0 CCADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925550360 625404500 /nfs/dbraw/zinc/40/45/00/625404500.db2.gz RIMSVFDZNYTOSV-STQMWFEESA-N 3 2 254.422 0.352 20 0 CCADLP O=C(C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)NCc1ccccc1 ZINC000310005196 625421601 /nfs/dbraw/zinc/42/16/01/625421601.db2.gz HGXMDBJIQCRUCL-LSDHHAIUSA-N 2 2 273.380 0.844 20 0 CCADLP O=C(C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)NCc1ccccc1 ZINC000310005196 625421603 /nfs/dbraw/zinc/42/16/03/625421603.db2.gz HGXMDBJIQCRUCL-LSDHHAIUSA-N 2 2 273.380 0.844 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CC[C@H]([NH2+]CCF)[C@@H]2C1 ZINC001026432467 625448736 /nfs/dbraw/zinc/44/87/36/625448736.db2.gz SUTHBVKDVQLBLO-XQQFMLRXSA-N 2 2 280.347 0.679 20 0 CCADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000925678105 625524859 /nfs/dbraw/zinc/52/48/59/625524859.db2.gz CABSHJIZOGRJNE-LXINESAQSA-N 3 2 281.444 0.939 20 0 CCADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000925678105 625524869 /nfs/dbraw/zinc/52/48/69/625524869.db2.gz CABSHJIZOGRJNE-LXINESAQSA-N 3 2 281.444 0.939 20 0 CCADLP C[C@@H](CCCC[NH3+])NC(=O)NCc1c[nH+]cn1C ZINC000892133596 622604361 /nfs/dbraw/zinc/60/43/61/622604361.db2.gz GCJQYPLIIHFRKX-JTQLQIEISA-N 2 2 253.350 0.737 20 0 CCADLP Cc1[nH+]ccn1CCN1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934260673 622626125 /nfs/dbraw/zinc/62/61/25/622626125.db2.gz ANQWGYQTMIUMAM-GJZGRUSLSA-N 2 2 278.400 0.723 20 0 CCADLP Cc1[nH+]ccn1CCN1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934260673 622626137 /nfs/dbraw/zinc/62/61/37/622626137.db2.gz ANQWGYQTMIUMAM-GJZGRUSLSA-N 2 2 278.400 0.723 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC001022776190 622743418 /nfs/dbraw/zinc/74/34/18/622743418.db2.gz WOOGCNJWKNVYBC-RWMBFGLXSA-N 2 2 292.383 0.616 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC001022775697 622744515 /nfs/dbraw/zinc/74/45/15/622744515.db2.gz FCLXTIYGCAKAGO-UPJWGTAASA-N 2 2 292.383 0.616 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC001022888918 622834558 /nfs/dbraw/zinc/83/45/58/622834558.db2.gz UJCBZAMWKFCDKP-RWMBFGLXSA-N 2 2 292.383 0.616 20 0 CCADLP Cc1cnn(CC[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)c1 ZINC000235457163 622841086 /nfs/dbraw/zinc/84/10/86/622841086.db2.gz JTFVRPPDQHHCBS-OLZOCXBDSA-N 2 2 252.362 0.548 20 0 CCADLP Cc1cc(N)nc(N[C@H](C)CN2CC[NH+](C)CC2)[nH+]1 ZINC000892403511 623157856 /nfs/dbraw/zinc/15/78/56/623157856.db2.gz YAQRGWUINIHDOM-LLVKDONJSA-N 2 2 264.377 0.415 20 0 CCADLP COCC[C@H]([NH3+])C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000052791822 623481163 /nfs/dbraw/zinc/48/11/63/623481163.db2.gz TZEMWYOJTRWCSB-LBPRGKRZSA-N 2 2 289.339 0.878 20 0 CCADLP CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001026928294 625663463 /nfs/dbraw/zinc/66/34/63/625663463.db2.gz GTWXNJBWYKEXBO-QWHCGFSZSA-N 2 2 276.384 0.904 20 0 CCADLP CC[NH2+]C[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001026969600 625676275 /nfs/dbraw/zinc/67/62/75/625676275.db2.gz YHWNJWZMXOUHRD-LBPRGKRZSA-N 2 2 264.373 0.811 20 0 CCADLP Cc1cc(C)c(C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)c(C)[nH+]1 ZINC001020413470 624471944 /nfs/dbraw/zinc/47/19/44/624471944.db2.gz AAUILZAVJDLQDJ-JOCQHMNTSA-N 2 2 277.368 0.850 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+]Cc2ccns2)C1 ZINC001020637117 624556674 /nfs/dbraw/zinc/55/66/74/624556674.db2.gz NXMXGKUMMPDEQI-MGCOHNPYSA-N 2 2 291.380 0.846 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC000902499872 634393592 /nfs/dbraw/zinc/39/35/92/634393592.db2.gz KXHGVACVWAPJLP-SDDRHHMPSA-N 2 2 277.372 0.491 20 0 CCADLP Cn1cc(C[NH2+][C@H]2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC001020819343 624606680 /nfs/dbraw/zinc/60/66/80/624606680.db2.gz UUVQYRDKKHQGLC-HAQNSBGRSA-N 2 2 288.355 0.123 20 0 CCADLP O=C(N[C@H]1C[C@H]([NH2+]CCF)C1)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001021081216 624658916 /nfs/dbraw/zinc/65/89/16/624658916.db2.gz WYVQEIOCLKONHX-MGPQQGTHSA-N 2 2 299.390 0.304 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+]CCC2CC2)C1 ZINC000970856299 624771777 /nfs/dbraw/zinc/77/17/77/624771777.db2.gz JXFPFJXLRVYEDB-CYBMUJFWSA-N 2 2 262.357 0.874 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2cncc(F)c2)CC1 ZINC000926113657 624808225 /nfs/dbraw/zinc/80/82/25/624808225.db2.gz RFMFATIYTVTPLN-UHFFFAOYSA-N 2 2 281.335 0.765 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891350762 624822085 /nfs/dbraw/zinc/82/20/85/624822085.db2.gz UYPIRGABYGDTEM-NFAWXSAZSA-N 2 2 296.415 0.291 20 0 CCADLP C[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000971434549 624853867 /nfs/dbraw/zinc/85/38/67/624853867.db2.gz YTPOURDLEWSWFH-RYUDHWBXSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000971434549 624853869 /nfs/dbraw/zinc/85/38/69/624853869.db2.gz YTPOURDLEWSWFH-RYUDHWBXSA-N 2 2 280.372 0.256 20 0 CCADLP O=C(NCCCCn1cc[nH+]c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891401919 624857606 /nfs/dbraw/zinc/85/76/06/624857606.db2.gz ROHJCKSMUBNJIA-BETUJISGSA-N 2 2 277.372 0.809 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000891707558 624909981 /nfs/dbraw/zinc/90/99/81/624909981.db2.gz CGVAWRHZNDXZDL-AGIUHOORSA-N 2 2 289.383 0.791 20 0 CCADLP [NH3+][C@H]1C[C@H](CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000891710228 624910950 /nfs/dbraw/zinc/91/09/50/624910950.db2.gz YEEMMCKPNQWHMU-AVGNSLFASA-N 2 2 289.383 0.697 20 0 CCADLP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001022311158 624921355 /nfs/dbraw/zinc/92/13/55/624921355.db2.gz NJJXWJQYZJFQOL-UTUOFQBUSA-N 2 2 262.357 0.702 20 0 CCADLP C[C@@H](O)C[N@H+](C)[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001027388611 625865311 /nfs/dbraw/zinc/86/53/11/625865311.db2.gz RLEUZQXBROSNBB-OLZOCXBDSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@@H](O)C[N@@H+](C)[C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001027388611 625865313 /nfs/dbraw/zinc/86/53/13/625865313.db2.gz RLEUZQXBROSNBB-OLZOCXBDSA-N 2 2 294.399 0.646 20 0 CCADLP O=C1OCCN1CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903481442 634577571 /nfs/dbraw/zinc/57/75/71/634577571.db2.gz BXHXRFVIYOBRSJ-NSHDSACASA-N 2 2 253.346 0.703 20 0 CCADLP O=C(CC[NH2+][C@@H]1CC[NH2+]C12CCCC2)N1CC[NH2+]CC1 ZINC000903485081 634579559 /nfs/dbraw/zinc/57/95/59/634579559.db2.gz ZXQCYZIWXLFXLJ-CYBMUJFWSA-N 3 2 280.416 0.073 20 0 CCADLP c1cnnc(N2CC[NH+](C[C@@H]3CCCC[NH2+]C3)CC2)c1 ZINC000903737163 634636997 /nfs/dbraw/zinc/63/69/97/634636997.db2.gz PNINNQDGFKEGJC-CQSZACIVSA-N 2 2 275.400 0.988 20 0 CCADLP O=S1(=O)C[C@@H]2CC[N@H+](C[C@H]3CCCC[NH2+]C3)C[C@@H]2C1 ZINC000903781279 634650979 /nfs/dbraw/zinc/65/09/79/634650979.db2.gz PGSPXJKEGGLKEY-MELADBBJSA-N 2 2 286.441 0.743 20 0 CCADLP O=S1(=O)C[C@@H]2CC[N@@H+](C[C@H]3CCCC[NH2+]C3)C[C@@H]2C1 ZINC000903781279 634650981 /nfs/dbraw/zinc/65/09/81/634650981.db2.gz PGSPXJKEGGLKEY-MELADBBJSA-N 2 2 286.441 0.743 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903873476 634673048 /nfs/dbraw/zinc/67/30/48/634673048.db2.gz IMEQANUZZCVXRB-XQQFMLRXSA-N 3 2 278.404 0.372 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903873476 634673051 /nfs/dbraw/zinc/67/30/51/634673051.db2.gz IMEQANUZZCVXRB-XQQFMLRXSA-N 3 2 278.404 0.372 20 0 CCADLP [NH3+][C@@H](C[NH2+][C@@H]1CCN(C2CCC2)C1=O)CC(F)F ZINC000903935132 634693967 /nfs/dbraw/zinc/69/39/67/634693967.db2.gz NYSUODDGYVDEEN-PSASIEDQSA-N 2 2 261.316 0.712 20 0 CCADLP C[C@@]1(C[NH+]2CCN(c3cccnn3)CC2)CCC[NH2+]C1 ZINC000904316676 634724594 /nfs/dbraw/zinc/72/45/94/634724594.db2.gz PNRMNGFWMFTPKU-OAHLLOKOSA-N 2 2 275.400 0.988 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH2+]CC3)o2)CC[NH2+]1 ZINC000904355258 634734824 /nfs/dbraw/zinc/73/48/24/634734824.db2.gz LYPGMGOEIGVCEL-OLZOCXBDSA-N 3 2 278.400 0.919 20 0 CCADLP O[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1(O)CCCC1 ZINC000905076338 634797006 /nfs/dbraw/zinc/79/70/06/634797006.db2.gz OSAJVMKHEUSCTG-MELADBBJSA-N 2 2 284.400 0.105 20 0 CCADLP O[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)C1(O)CCCC1 ZINC000905076338 634797011 /nfs/dbraw/zinc/79/70/11/634797011.db2.gz OSAJVMKHEUSCTG-MELADBBJSA-N 2 2 284.400 0.105 20 0 CCADLP O[C@@H](C[NH2+]CCCCn1cc[nH+]c1)C1(O)CCCC1 ZINC000905108945 634798022 /nfs/dbraw/zinc/79/80/22/634798022.db2.gz AJLPOURQMXRMSR-ZDUSSCGKSA-N 2 2 267.373 0.919 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1CCn2cc[nH+]c2C1)C1(O)CCC1 ZINC000905220299 634824926 /nfs/dbraw/zinc/82/49/26/634824926.db2.gz WPYKHTFWJUUFQV-MNOVXSKESA-N 2 2 251.330 0.063 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1(O)CCC1 ZINC000905263316 634830317 /nfs/dbraw/zinc/83/03/17/634830317.db2.gz MPOSVBSEICEFTR-SKDRFNHKSA-N 2 2 251.330 0.133 20 0 CCADLP Cc1cc(N)nc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC000893563504 630953298 /nfs/dbraw/zinc/95/32/98/630953298.db2.gz FPVDTXWLCBRSOB-TXEJJXNPSA-N 2 2 279.388 0.913 20 0 CCADLP Cc1cc(N)nc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC000893563504 630953304 /nfs/dbraw/zinc/95/33/04/630953304.db2.gz FPVDTXWLCBRSOB-TXEJJXNPSA-N 2 2 279.388 0.913 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC000980272958 631006370 /nfs/dbraw/zinc/00/63/70/631006370.db2.gz IKUFEGSSVIKDNK-HZSPNIEDSA-N 2 2 292.383 0.092 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC000980272958 631006374 /nfs/dbraw/zinc/00/63/74/631006374.db2.gz IKUFEGSSVIKDNK-HZSPNIEDSA-N 2 2 292.383 0.092 20 0 CCADLP C[C@@H]1[C@H](C(=O)N2CCC[NH+](CCF)CC2)CC[N@@H+]1C ZINC000981193615 631245383 /nfs/dbraw/zinc/24/53/83/631245383.db2.gz DTLPJRJQHISDRI-CHWSQXEVSA-N 2 2 271.380 0.830 20 0 CCADLP C[C@@H]1[C@H](C(=O)N2CCC[NH+](CCF)CC2)CC[N@H+]1C ZINC000981193615 631245390 /nfs/dbraw/zinc/24/53/90/631245390.db2.gz DTLPJRJQHISDRI-CHWSQXEVSA-N 2 2 271.380 0.830 20 0 CCADLP C[C@@H]1[C@H](C(=O)N2CCC[N@H+](CCF)CC2)CC[NH+]1C ZINC000981193615 631245399 /nfs/dbraw/zinc/24/53/99/631245399.db2.gz DTLPJRJQHISDRI-CHWSQXEVSA-N 2 2 271.380 0.830 20 0 CCADLP C[C@@H]1[C@H](C(=O)N2CCC[N@@H+](CCF)CC2)CC[NH+]1C ZINC000981193615 631245407 /nfs/dbraw/zinc/24/54/07/631245407.db2.gz DTLPJRJQHISDRI-CHWSQXEVSA-N 2 2 271.380 0.830 20 0 CCADLP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)[C@@H]1CCCC[NH2+]1 ZINC000925816089 631302500 /nfs/dbraw/zinc/30/25/00/631302500.db2.gz DNYROYNIAXTSQY-JSGCOSHPSA-N 3 2 254.422 0.530 20 0 CCADLP C[C@H](O)C[N@H+]1CCCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000981668458 631303264 /nfs/dbraw/zinc/30/32/64/631303264.db2.gz OCUSPPQITMNBDU-ZDUSSCGKSA-N 2 2 294.399 0.268 20 0 CCADLP Cn1cncc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010368875 631351092 /nfs/dbraw/zinc/35/10/92/631351092.db2.gz HRDDVVDVFMZKNH-JSGCOSHPSA-N 2 2 291.399 0.205 20 0 CCADLP Cn1cncc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010368875 631351096 /nfs/dbraw/zinc/35/10/96/631351096.db2.gz HRDDVVDVFMZKNH-JSGCOSHPSA-N 2 2 291.399 0.205 20 0 CCADLP Cn1cncc1C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001010368875 631351100 /nfs/dbraw/zinc/35/11/00/631351100.db2.gz HRDDVVDVFMZKNH-JSGCOSHPSA-N 2 2 291.399 0.205 20 0 CCADLP Cn1cncc1C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001010368875 631351106 /nfs/dbraw/zinc/35/11/06/631351106.db2.gz HRDDVVDVFMZKNH-JSGCOSHPSA-N 2 2 291.399 0.205 20 0 CCADLP C[C@H](CC(=O)N1CCC[N@@H+](C[C@H](C)O)CC1)n1cc[nH+]c1 ZINC000982052006 631372791 /nfs/dbraw/zinc/37/27/91/631372791.db2.gz SYCOOGDUAFOWHH-KGLIPLIRSA-N 2 2 294.399 0.749 20 0 CCADLP C[C@H](CC(=O)N1CCC[N@H+](C[C@H](C)O)CC1)n1cc[nH+]c1 ZINC000982052006 631372794 /nfs/dbraw/zinc/37/27/94/631372794.db2.gz SYCOOGDUAFOWHH-KGLIPLIRSA-N 2 2 294.399 0.749 20 0 CCADLP Cc1ncoc1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000894255106 631641258 /nfs/dbraw/zinc/64/12/58/631641258.db2.gz AIDXAKNXVNZIHL-CQSZACIVSA-N 2 2 294.399 0.479 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1C ZINC000928430791 631812598 /nfs/dbraw/zinc/81/25/98/631812598.db2.gz JQAWMJIJURWPKI-WOPDTQHZSA-N 2 2 262.357 0.654 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC[N@H+]1C ZINC000928430791 631812602 /nfs/dbraw/zinc/81/26/02/631812602.db2.gz JQAWMJIJURWPKI-WOPDTQHZSA-N 2 2 262.357 0.654 20 0 CCADLP C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@@H+]1C ZINC000928438378 631842027 /nfs/dbraw/zinc/84/20/27/631842027.db2.gz ZNJPGNJAZHCZEQ-DDHJBXDOSA-N 2 2 262.357 0.732 20 0 CCADLP C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@H+]1C ZINC000928438378 631842031 /nfs/dbraw/zinc/84/20/31/631842031.db2.gz ZNJPGNJAZHCZEQ-DDHJBXDOSA-N 2 2 262.357 0.732 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N2CC[C@@H]([NH2+]CCO)C2)c[nH+]1 ZINC000969051375 650037426 /nfs/dbraw/zinc/03/74/26/650037426.db2.gz GNFHPXGYVQRHEG-GFCCVEGCSA-N 2 2 280.372 0.109 20 0 CCADLP CC1(O)CCC([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000895572936 632100485 /nfs/dbraw/zinc/10/04/85/632100485.db2.gz WPRVZYFPKFBYGZ-OWYJLGKBSA-N 2 2 283.416 0.609 20 0 CCADLP CC1(O)CCC([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000895572936 632100491 /nfs/dbraw/zinc/10/04/91/632100491.db2.gz WPRVZYFPKFBYGZ-OWYJLGKBSA-N 2 2 283.416 0.609 20 0 CCADLP Cc1nc(NC[C@@H]2CC[N@@H+]2C2CCOCC2)nc(N)[nH+]1 ZINC000896526271 632265059 /nfs/dbraw/zinc/26/50/59/632265059.db2.gz VJMWQMOGKKJLNN-NSHDSACASA-N 2 2 278.360 0.427 20 0 CCADLP Cc1nc(NC[C@@H]2CC[N@H+]2C2CCOCC2)nc(N)[nH+]1 ZINC000896526271 632265066 /nfs/dbraw/zinc/26/50/66/632265066.db2.gz VJMWQMOGKKJLNN-NSHDSACASA-N 2 2 278.360 0.427 20 0 CCADLP C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CN(C)CC[NH+]1C ZINC000896546299 632275922 /nfs/dbraw/zinc/27/59/22/632275922.db2.gz VCXOVOIBDQBJAA-ZQDZILKHSA-N 2 2 296.459 0.467 20 0 CCADLP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CN(C)CC[NH+]1C ZINC000896546299 632275929 /nfs/dbraw/zinc/27/59/29/632275929.db2.gz VCXOVOIBDQBJAA-ZQDZILKHSA-N 2 2 296.459 0.467 20 0 CCADLP C[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@H]1CN(C)CC[N@@H+]1C ZINC000896546299 632275932 /nfs/dbraw/zinc/27/59/32/632275932.db2.gz VCXOVOIBDQBJAA-ZQDZILKHSA-N 2 2 296.459 0.467 20 0 CCADLP C[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@H]1CN(C)CC[N@H+]1C ZINC000896546299 632275936 /nfs/dbraw/zinc/27/59/36/632275936.db2.gz VCXOVOIBDQBJAA-ZQDZILKHSA-N 2 2 296.459 0.467 20 0 CCADLP C[N@H+](CCF)C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000985351811 632445383 /nfs/dbraw/zinc/44/53/83/632445383.db2.gz KJJAZUVYZCLRAF-ZDUSSCGKSA-N 2 2 287.379 0.209 20 0 CCADLP C[N@@H+](CCF)C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000985351811 632445389 /nfs/dbraw/zinc/44/53/89/632445389.db2.gz KJJAZUVYZCLRAF-ZDUSSCGKSA-N 2 2 287.379 0.209 20 0 CCADLP C[NH+](CCF)C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000985351811 632445393 /nfs/dbraw/zinc/44/53/93/632445393.db2.gz KJJAZUVYZCLRAF-ZDUSSCGKSA-N 2 2 287.379 0.209 20 0 CCADLP C[NH+](CCF)C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000985351811 632445395 /nfs/dbraw/zinc/44/53/95/632445395.db2.gz KJJAZUVYZCLRAF-ZDUSSCGKSA-N 2 2 287.379 0.209 20 0 CCADLP C[C@@H](CC(=O)N1CCC([N@H+](C)CCO)CC1)n1cc[nH+]c1 ZINC000985677047 632618631 /nfs/dbraw/zinc/61/86/31/632618631.db2.gz KJMVMQUZVVWMQT-ZDUSSCGKSA-N 2 2 294.399 0.749 20 0 CCADLP C[C@@H](CC(=O)N1CCC([N@@H+](C)CCO)CC1)n1cc[nH+]c1 ZINC000985677047 632618637 /nfs/dbraw/zinc/61/86/37/632618637.db2.gz KJMVMQUZVVWMQT-ZDUSSCGKSA-N 2 2 294.399 0.749 20 0 CCADLP C[C@H]1[C@H]([NH2+]CCF)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000986216419 632731281 /nfs/dbraw/zinc/73/12/81/632731281.db2.gz VGXOEHOYRILACF-WDEREUQCSA-N 2 2 268.336 0.891 20 0 CCADLP C[C@@H]1[C@@H]([NH2+]CCO)CCN1C(=O)c1cccc2[nH+]ccn21 ZINC000986545473 632769229 /nfs/dbraw/zinc/76/92/29/632769229.db2.gz VRLBHVVVKXCUBE-NEPJUHHUSA-N 2 2 288.351 0.519 20 0 CCADLP O=S1(=O)C[C@@H]2CC[N@H+](C[C@@H]3CCC[NH2+]C3)C[C@@H]2C1 ZINC000872146653 632776889 /nfs/dbraw/zinc/77/68/89/632776889.db2.gz UHBJFLSWRVKYFB-FRRDWIJNSA-N 2 2 272.414 0.353 20 0 CCADLP O=S1(=O)C[C@@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C[C@@H]2C1 ZINC000872146653 632776891 /nfs/dbraw/zinc/77/68/91/632776891.db2.gz UHBJFLSWRVKYFB-FRRDWIJNSA-N 2 2 272.414 0.353 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c[nH+]1 ZINC000897397632 632780735 /nfs/dbraw/zinc/78/07/35/632780735.db2.gz FAYHNHKIUPTDSJ-AWEZNQCLSA-N 2 2 280.372 0.109 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@@]2(O)CC[N@H+](C)C2)c[nH+]1 ZINC000897397632 632780742 /nfs/dbraw/zinc/78/07/42/632780742.db2.gz FAYHNHKIUPTDSJ-AWEZNQCLSA-N 2 2 280.372 0.109 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]CCF)[C@@H]1C ZINC000987423391 632866906 /nfs/dbraw/zinc/86/69/06/632866906.db2.gz VLDGAJUBQXUFDD-QWRGUYRKSA-N 2 2 268.336 0.809 20 0 CCADLP C[C@H]1[C@H]([NH2+]CCF)CCN1C(=O)CCc1c[nH+]cn1C ZINC000987432122 632868644 /nfs/dbraw/zinc/86/86/44/632868644.db2.gz GUHXUWQYIVDUNS-WCQYABFASA-N 2 2 282.363 0.901 20 0 CCADLP O=C(N[C@H]1CCc2c[nH+]cn2C1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897731040 633238866 /nfs/dbraw/zinc/23/88/66/633238866.db2.gz WGLQTTUPVXJGKY-GXTWGEPZSA-N 2 2 290.367 0.035 20 0 CCADLP O[C@H](C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000905446714 634862840 /nfs/dbraw/zinc/86/28/40/634862840.db2.gz KMYAUNZVTJVWSR-JKSUJKDBSA-N 2 2 297.443 0.144 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[N@@H+](C[C@@H](C)O)CC1 ZINC000989563380 633327650 /nfs/dbraw/zinc/32/76/50/633327650.db2.gz WZEOXFBTADXJOC-LLVKDONJSA-N 2 2 280.372 0.176 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[N@H+](C[C@@H](C)O)CC1 ZINC000989563380 633327653 /nfs/dbraw/zinc/32/76/53/633327653.db2.gz WZEOXFBTADXJOC-LLVKDONJSA-N 2 2 280.372 0.176 20 0 CCADLP C[C@H]1C[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC[N@@H+]1C ZINC000900824670 634102519 /nfs/dbraw/zinc/10/25/19/634102519.db2.gz NPHGFDCEIJYDBN-CMPLNLGQSA-N 2 2 250.346 0.893 20 0 CCADLP C[C@H]1C[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC[N@H+]1C ZINC000900824670 634102525 /nfs/dbraw/zinc/10/25/25/634102525.db2.gz NPHGFDCEIJYDBN-CMPLNLGQSA-N 2 2 250.346 0.893 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900920514 634126369 /nfs/dbraw/zinc/12/63/69/634126369.db2.gz QVQIFVXGRBGDPZ-ZDUSSCGKSA-N 2 2 266.345 0.181 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900920514 634126373 /nfs/dbraw/zinc/12/63/73/634126373.db2.gz QVQIFVXGRBGDPZ-ZDUSSCGKSA-N 2 2 266.345 0.181 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)CN1C[C@@]2(CCCOC2)C1=O ZINC000902189682 634336085 /nfs/dbraw/zinc/33/60/85/634336085.db2.gz WIXCLUQNTXWLKN-OAHLLOKOSA-N 2 2 292.383 0.802 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)CN1C[C@@]2(CCCOC2)C1=O ZINC000902189682 634336095 /nfs/dbraw/zinc/33/60/95/634336095.db2.gz WIXCLUQNTXWLKN-OAHLLOKOSA-N 2 2 292.383 0.802 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC[N@@H+]1CCO ZINC000907543719 635148120 /nfs/dbraw/zinc/14/81/20/635148120.db2.gz GRAHXQOMJPDBAR-ILXRZTDVSA-N 2 2 295.427 0.528 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC[N@H+]1CCO ZINC000907543719 635148128 /nfs/dbraw/zinc/14/81/28/635148128.db2.gz GRAHXQOMJPDBAR-ILXRZTDVSA-N 2 2 295.427 0.528 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC[NH+]1CCO ZINC000907543719 635148138 /nfs/dbraw/zinc/14/81/38/635148138.db2.gz GRAHXQOMJPDBAR-ILXRZTDVSA-N 2 2 295.427 0.528 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC[NH+]1CCO ZINC000907543719 635148144 /nfs/dbraw/zinc/14/81/44/635148144.db2.gz GRAHXQOMJPDBAR-ILXRZTDVSA-N 2 2 295.427 0.528 20 0 CCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000908143528 635289706 /nfs/dbraw/zinc/28/97/06/635289706.db2.gz BSOALFYVMQWGPT-UONOGXRCSA-N 2 2 293.411 0.404 20 0 CCADLP O=C(NC[C@@H]1CCCC[NH2+]1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000911715299 636348754 /nfs/dbraw/zinc/34/87/54/636348754.db2.gz WZTYQSLKIPFCEP-NEPJUHHUSA-N 2 2 262.357 0.704 20 0 CCADLP CC(C)C[C@H](C(=O)N(C)CC[N@H+](C)CCO)n1cc[nH+]c1 ZINC000912599175 636612296 /nfs/dbraw/zinc/61/22/96/636612296.db2.gz KLEUNVGBSJMVEZ-CQSZACIVSA-N 2 2 296.415 0.853 20 0 CCADLP CC(C)C[C@H](C(=O)N(C)CC[N@@H+](C)CCO)n1cc[nH+]c1 ZINC000912599175 636612299 /nfs/dbraw/zinc/61/22/99/636612299.db2.gz KLEUNVGBSJMVEZ-CQSZACIVSA-N 2 2 296.415 0.853 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000311143567 636866562 /nfs/dbraw/zinc/86/65/62/636866562.db2.gz LPOACCLWTYEPQX-BFHYXJOUSA-N 3 2 255.406 0.502 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000311143567 636866566 /nfs/dbraw/zinc/86/65/66/636866566.db2.gz LPOACCLWTYEPQX-BFHYXJOUSA-N 3 2 255.406 0.502 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)[C@H]([NH3+])c2ccccc2)C[C@@H]1C ZINC000168016338 636988550 /nfs/dbraw/zinc/98/85/50/636988550.db2.gz NHJVWTPNIVHSPA-DZGCQCFKSA-N 2 2 291.395 0.866 20 0 CCADLP COCC[N@H+]1CCN(C(=O)[C@H]([NH3+])c2ccccc2)C[C@@H]1C ZINC000168016338 636988555 /nfs/dbraw/zinc/98/85/55/636988555.db2.gz NHJVWTPNIVHSPA-DZGCQCFKSA-N 2 2 291.395 0.866 20 0 CCADLP Cc1cc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)ncn1 ZINC000257660652 637175104 /nfs/dbraw/zinc/17/51/04/637175104.db2.gz BTZSPSPQCUJJMZ-AWEZNQCLSA-N 2 2 261.373 0.265 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCN1CCSCC1 ZINC000230931882 637191503 /nfs/dbraw/zinc/19/15/03/637191503.db2.gz OADNTNAGYFPYJA-OLZOCXBDSA-N 2 2 273.446 0.392 20 0 CCADLP Cn1c(Cl)cnc1C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063179758 637205649 /nfs/dbraw/zinc/20/56/49/637205649.db2.gz GMFLLHOTTOGYPV-SNVBAGLBSA-N 2 2 299.806 0.360 20 0 CCADLP Cn1c(Cl)cnc1C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063179758 637205652 /nfs/dbraw/zinc/20/56/52/637205652.db2.gz GMFLLHOTTOGYPV-SNVBAGLBSA-N 2 2 299.806 0.360 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[NH+](CCCCCO)CC1 ZINC000913693754 637410334 /nfs/dbraw/zinc/41/03/34/637410334.db2.gz OKNCXZBAEBXLDF-UHFFFAOYSA-N 2 2 294.399 0.649 20 0 CCADLP CC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000994219241 637877033 /nfs/dbraw/zinc/87/70/33/637877033.db2.gz BEDLSTXWTBSGNX-AAEUAGOBSA-N 2 2 264.373 0.952 20 0 CCADLP CC[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000994219241 637877034 /nfs/dbraw/zinc/87/70/34/637877034.db2.gz BEDLSTXWTBSGNX-AAEUAGOBSA-N 2 2 264.373 0.952 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCN1CCOCC1(C)C ZINC000925477366 638122903 /nfs/dbraw/zinc/12/29/03/638122903.db2.gz JIELNNVVJOXQAO-STQMWFEESA-N 2 2 255.406 0.827 20 0 CCADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCN1CCOCC1(C)C ZINC000925477363 638123679 /nfs/dbraw/zinc/12/36/79/638123679.db2.gz JIELNNVVJOXQAO-OLZOCXBDSA-N 2 2 255.406 0.827 20 0 CCADLP C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CCCO ZINC000948089251 638206882 /nfs/dbraw/zinc/20/68/82/638206882.db2.gz AVEPGCLIWVGAIQ-QWHCGFSZSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CCCO ZINC000948089251 638206886 /nfs/dbraw/zinc/20/68/86/638206886.db2.gz AVEPGCLIWVGAIQ-QWHCGFSZSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000925335971 638207309 /nfs/dbraw/zinc/20/73/09/638207309.db2.gz APWHARSSZOJWLB-BFHYXJOUSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000925335971 638207320 /nfs/dbraw/zinc/20/73/20/638207320.db2.gz APWHARSSZOJWLB-BFHYXJOUSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@H](CC(=O)NC[C@H](C)[NH+]1CCOCC1)C1CC[NH2+]CC1 ZINC000237652360 638234855 /nfs/dbraw/zinc/23/48/55/638234855.db2.gz QVUDOQHLTFDWSR-KGLIPLIRSA-N 2 2 297.443 0.849 20 0 CCADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[NH2+]CCO1 ZINC000238069707 638263745 /nfs/dbraw/zinc/26/37/45/638263745.db2.gz NETILAGTTDVCMU-AWEZNQCLSA-N 2 2 286.335 0.477 20 0 CCADLP CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995108386 638499425 /nfs/dbraw/zinc/49/94/25/638499425.db2.gz UGKASSKVXUIVKJ-QWRGUYRKSA-N 2 2 250.346 0.847 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941248712 638521587 /nfs/dbraw/zinc/52/15/87/638521587.db2.gz YXIPDRONRPJUFI-CHWSQXEVSA-N 2 2 294.399 0.481 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941248712 638521592 /nfs/dbraw/zinc/52/15/92/638521592.db2.gz YXIPDRONRPJUFI-CHWSQXEVSA-N 2 2 294.399 0.481 20 0 CCADLP COC(C[N@H+](CCCO)CC[C@H]1CCC[NH+]1C)OC ZINC000183665901 638596771 /nfs/dbraw/zinc/59/67/71/638596771.db2.gz BJZFZSJQNSLCNM-CYBMUJFWSA-N 2 2 274.405 0.774 20 0 CCADLP COC(C[N@@H+](CCCO)CC[C@H]1CCC[NH+]1C)OC ZINC000183665901 638596774 /nfs/dbraw/zinc/59/67/74/638596774.db2.gz BJZFZSJQNSLCNM-CYBMUJFWSA-N 2 2 274.405 0.774 20 0 CCADLP COC(C[NH+](CCCO)CC[C@H]1CCC[N@@H+]1C)OC ZINC000183665901 638596779 /nfs/dbraw/zinc/59/67/79/638596779.db2.gz BJZFZSJQNSLCNM-CYBMUJFWSA-N 2 2 274.405 0.774 20 0 CCADLP COC(C[NH+](CCCO)CC[C@H]1CCC[N@H+]1C)OC ZINC000183665901 638596783 /nfs/dbraw/zinc/59/67/83/638596783.db2.gz BJZFZSJQNSLCNM-CYBMUJFWSA-N 2 2 274.405 0.774 20 0 CCADLP C[C@@H]1C[N@H+](CCCO)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943174136 638708860 /nfs/dbraw/zinc/70/88/60/638708860.db2.gz BTIBPNOCHISKKV-YPMHNXCESA-N 2 2 280.372 0.161 20 0 CCADLP C[C@@H]1C[N@@H+](CCCO)CC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943174136 638708873 /nfs/dbraw/zinc/70/88/73/638708873.db2.gz BTIBPNOCHISKKV-YPMHNXCESA-N 2 2 280.372 0.161 20 0 CCADLP C[C@H]1C[N@H+](CCCO)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945809909 638795618 /nfs/dbraw/zinc/79/56/18/638795618.db2.gz WBKGAUGOXZUITB-STQMWFEESA-N 2 2 280.372 0.092 20 0 CCADLP C[C@H]1C[N@@H+](CCCO)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945809909 638795621 /nfs/dbraw/zinc/79/56/21/638795621.db2.gz WBKGAUGOXZUITB-STQMWFEESA-N 2 2 280.372 0.092 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]CCO)C(C)(C)C1 ZINC000996560672 638822584 /nfs/dbraw/zinc/82/25/84/638822584.db2.gz DBXRNKGPZUTPEE-LBPRGKRZSA-N 2 2 280.372 0.080 20 0 CCADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC([NH2+]CCO)CC1 ZINC000996733207 638830314 /nfs/dbraw/zinc/83/03/14/638830314.db2.gz RSENNUROERONAA-GFCCVEGCSA-N 2 2 292.383 0.018 20 0 CCADLP C[C@@H](CC(=O)N1CCC([NH2+]CCO)CC1)n1cc[nH+]c1 ZINC000997049662 638850070 /nfs/dbraw/zinc/85/00/70/638850070.db2.gz LPVKUOPYSKWFGQ-LBPRGKRZSA-N 2 2 280.372 0.407 20 0 CCADLP C[C@H](O)C[NH2+]C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000997083180 638851423 /nfs/dbraw/zinc/85/14/23/638851423.db2.gz HXSBKLKKYMCQDE-RYUDHWBXSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@H](O)C[NH2+]C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000997083180 638851424 /nfs/dbraw/zinc/85/14/24/638851424.db2.gz HXSBKLKKYMCQDE-RYUDHWBXSA-N 2 2 294.399 0.550 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([NH2+]CCF)CC1 ZINC000997221595 638859387 /nfs/dbraw/zinc/85/93/87/638859387.db2.gz MAXGBDNGTDMVQW-UHFFFAOYSA-N 2 2 268.336 0.811 20 0 CCADLP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CC[N@H+](CCF)C2)n1 ZINC001014469843 650454957 /nfs/dbraw/zinc/45/49/57/650454957.db2.gz JEXRHRLMOAAHFA-GFCCVEGCSA-N 2 2 297.378 0.218 20 0 CCADLP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CC[N@@H+](CCF)C2)n1 ZINC001014469843 650454959 /nfs/dbraw/zinc/45/49/59/650454959.db2.gz JEXRHRLMOAAHFA-GFCCVEGCSA-N 2 2 297.378 0.218 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000999047713 638957204 /nfs/dbraw/zinc/95/72/04/638957204.db2.gz WITRITANLSAEKG-NEPJUHHUSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC[N@@H+]1C ZINC000925345078 638972581 /nfs/dbraw/zinc/97/25/81/638972581.db2.gz WAFPLTLNHIANRR-MGPQQGTHSA-N 2 2 296.415 0.195 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC000925345078 638972583 /nfs/dbraw/zinc/97/25/83/638972583.db2.gz WAFPLTLNHIANRR-MGPQQGTHSA-N 2 2 296.415 0.195 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000999494069 638984488 /nfs/dbraw/zinc/98/44/88/638984488.db2.gz HUOHJJXDTBRXAD-CYBMUJFWSA-N 2 2 293.367 0.206 20 0 CCADLP CN(C(=O)Cc1[nH]cc[nH+]1)C1CC([NH2+]C[C@@H]2CCOC2)C1 ZINC000999610289 638989491 /nfs/dbraw/zinc/98/94/91/638989491.db2.gz HUJVAJFXRFAXBF-HIFPTAJRSA-N 2 2 292.383 0.568 20 0 CCADLP CN(C(=O)Cc1[nH]cc[nH+]1)C1CC([NH2+]CCF)C1 ZINC000999606566 638989525 /nfs/dbraw/zinc/98/95/25/638989525.db2.gz XXEZXQHDCYUHSZ-UHFFFAOYSA-N 2 2 254.309 0.501 20 0 CCADLP CC[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001000979847 639203259 /nfs/dbraw/zinc/20/32/59/639203259.db2.gz VISSESQXOSRVOQ-GJZGRUSLSA-N 2 2 295.427 0.698 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](CCF)C1 ZINC001015292298 650551523 /nfs/dbraw/zinc/55/15/23/650551523.db2.gz BNBXWMIQUDFSOZ-LLVKDONJSA-N 2 2 254.309 0.352 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](CCF)C1 ZINC001015292298 650551524 /nfs/dbraw/zinc/55/15/24/650551524.db2.gz BNBXWMIQUDFSOZ-LLVKDONJSA-N 2 2 254.309 0.352 20 0 CCADLP O[C@@H](Cn1cccn1)C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000923382079 640112670 /nfs/dbraw/zinc/11/26/70/640112670.db2.gz XKICVELSRLHULE-CHWSQXEVSA-N 2 2 250.346 0.072 20 0 CCADLP O[C@@H](Cn1cccn1)C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000923382079 640112678 /nfs/dbraw/zinc/11/26/78/640112678.db2.gz XKICVELSRLHULE-CHWSQXEVSA-N 2 2 250.346 0.072 20 0 CCADLP C[C@@H]1C[N@H+](Cc2cc(=O)n3[nH]ccc3n2)CC[C@@H]1C[NH3+] ZINC000923500317 640171091 /nfs/dbraw/zinc/17/10/91/640171091.db2.gz WSCDCJBTTXDPIM-GHMZBOCLSA-N 2 2 275.356 0.439 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)CC[C@@H]1C[NH3+] ZINC000923500317 640171094 /nfs/dbraw/zinc/17/10/94/640171094.db2.gz WSCDCJBTTXDPIM-GHMZBOCLSA-N 2 2 275.356 0.439 20 0 CCADLP O=C(CC[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2)N1CC[NH2+]CC1 ZINC000923536555 640180218 /nfs/dbraw/zinc/18/02/18/640180218.db2.gz PKELWRUQWJUQKV-HNNXBMFYSA-N 3 2 280.416 0.026 20 0 CCADLP O=C(CC[N@H+]1CC[C@]2(C1)CCCC[NH2+]2)N1CC[NH2+]CC1 ZINC000923536555 640180225 /nfs/dbraw/zinc/18/02/25/640180225.db2.gz PKELWRUQWJUQKV-HNNXBMFYSA-N 3 2 280.416 0.026 20 0 CCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CC[N@H+](CCO)C1 ZINC001015623575 650595379 /nfs/dbraw/zinc/59/53/79/650595379.db2.gz XPOWVJPNKFCRAE-GFCCVEGCSA-N 2 2 281.356 0.138 20 0 CCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CC[N@@H+](CCO)C1 ZINC001015623575 650595382 /nfs/dbraw/zinc/59/53/82/650595382.db2.gz XPOWVJPNKFCRAE-GFCCVEGCSA-N 2 2 281.356 0.138 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH+]1CCCCC1 ZINC000806540155 640790949 /nfs/dbraw/zinc/79/09/49/640790949.db2.gz PELSYYMPEBBJNT-GFCCVEGCSA-N 2 2 264.373 0.953 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1COc2ccccc2[C@H]1O ZINC000817931512 641279649 /nfs/dbraw/zinc/27/96/49/641279649.db2.gz KYWVDPQXJVOAAI-UNIGVISCSA-N 2 2 292.379 0.838 20 0 CCADLP C[C@@H](C[NH2+]CCS(C)(=O)=O)C[NH+]1CCCCC1 ZINC000818968989 641369647 /nfs/dbraw/zinc/36/96/47/641369647.db2.gz IGUVGIVBBWEMOA-LBPRGKRZSA-N 2 2 262.419 0.743 20 0 CCADLP O=C(NCCNc1cccc[nH+]1)[C@]1(F)CC[NH2+]C1 ZINC000826553638 641942485 /nfs/dbraw/zinc/94/24/85/641942485.db2.gz AXESWEAIUPCNMM-LBPRGKRZSA-N 2 2 252.293 0.311 20 0 CCADLP Cn1cc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)cn1 ZINC001016251964 650706093 /nfs/dbraw/zinc/70/60/93/650706093.db2.gz OSIQRZSVOGKQID-AWEZNQCLSA-N 2 2 291.399 0.206 20 0 CCADLP Cn1cc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)cn1 ZINC001016251964 650706095 /nfs/dbraw/zinc/70/60/95/650706095.db2.gz OSIQRZSVOGKQID-AWEZNQCLSA-N 2 2 291.399 0.206 20 0 CCADLP Cn1cc([C@@H]2CN(C(=O)CC[NH2+]C(C)(C)C)CC[NH2+]2)cn1 ZINC000827916204 642051025 /nfs/dbraw/zinc/05/10/25/642051025.db2.gz KUOXFKRPYYBOPF-ZDUSSCGKSA-N 2 2 293.415 0.671 20 0 CCADLP Cc1cncc(C[N@@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001016393943 650724236 /nfs/dbraw/zinc/72/42/36/650724236.db2.gz HRSVXYFJAQUGLM-OAHLLOKOSA-N 2 2 299.378 0.977 20 0 CCADLP Cc1cncc(C[N@H+]2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001016393943 650724240 /nfs/dbraw/zinc/72/42/40/650724240.db2.gz HRSVXYFJAQUGLM-OAHLLOKOSA-N 2 2 299.378 0.977 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCCCCCC[NH3+] ZINC000831099206 642313485 /nfs/dbraw/zinc/31/34/85/642313485.db2.gz BMTHSKJAOLAVGK-CYBMUJFWSA-N 2 2 286.420 0.525 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)NCC(F)(F)C[NH3+] ZINC000834539767 642605516 /nfs/dbraw/zinc/60/55/16/642605516.db2.gz QEHSDIWJDHYZFI-UHFFFAOYSA-N 2 2 260.288 0.682 20 0 CCADLP C[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)C1=CC[N@H+](C)CC1 ZINC000867305974 642965265 /nfs/dbraw/zinc/96/52/65/642965265.db2.gz ADJSMWCKCHZMPJ-XGACYXMMSA-N 2 2 293.411 0.641 20 0 CCADLP C[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)C1=CC[N@@H+](C)CC1 ZINC000867305974 642965271 /nfs/dbraw/zinc/96/52/71/642965271.db2.gz ADJSMWCKCHZMPJ-XGACYXMMSA-N 2 2 293.411 0.641 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC000846219727 643388764 /nfs/dbraw/zinc/38/87/64/643388764.db2.gz FPVPIFCUYBDGOE-JRBALWBOSA-N 2 2 257.765 0.635 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](C/C=C/Cl)C1 ZINC000846219727 643388772 /nfs/dbraw/zinc/38/87/72/643388772.db2.gz FPVPIFCUYBDGOE-JRBALWBOSA-N 2 2 257.765 0.635 20 0 CCADLP O=C1N=NCN1C1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000846883750 643466678 /nfs/dbraw/zinc/46/66/78/643466678.db2.gz MVFHLBCEBTVRMK-ZDUSSCGKSA-N 2 2 295.387 0.077 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852436702 643965761 /nfs/dbraw/zinc/96/57/61/643965761.db2.gz MFCDCSYFKQINTC-GFCCVEGCSA-N 2 2 264.329 0.718 20 0 CCADLP C[C@@H]1CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)[C@H](C[NH3+])C1 ZINC000852862780 644029732 /nfs/dbraw/zinc/02/97/32/644029732.db2.gz GIAGJLYLSCYAQP-ZJUUUORDSA-N 2 2 277.372 0.255 20 0 CCADLP Cc1cnc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)o1 ZINC001018627659 650886695 /nfs/dbraw/zinc/88/66/95/650886695.db2.gz HRQKJHVMGRNXRR-STQMWFEESA-N 2 2 292.383 0.768 20 0 CCADLP Cc1cnc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)o1 ZINC001018627659 650886698 /nfs/dbraw/zinc/88/66/98/650886698.db2.gz HRQKJHVMGRNXRR-STQMWFEESA-N 2 2 292.383 0.768 20 0 CCADLP O[C@H](C[NH2+]C[C@H](O)c1ccccn1)C[NH+]1CCCC1 ZINC000853108607 644075776 /nfs/dbraw/zinc/07/57/76/644075776.db2.gz INHNUGBZBOVTHT-OCCSQVGLSA-N 2 2 265.357 0.161 20 0 CCADLP NC(=O)COc1ccc(C[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000853246990 644094078 /nfs/dbraw/zinc/09/40/78/644094078.db2.gz YIZUICFUFFBILV-UHFFFAOYSA-N 2 2 275.352 0.392 20 0 CCADLP Cn1c[nH+]cc1CCO[NH+]=C(N)C1CCOCC1 ZINC000853667677 644135009 /nfs/dbraw/zinc/13/50/09/644135009.db2.gz LABNCRMCSLXDPV-UHFFFAOYSA-N 2 2 252.318 0.888 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000854291870 644183813 /nfs/dbraw/zinc/18/38/13/644183813.db2.gz PTKUYDKUZPYBJT-UHFFFAOYSA-N 2 2 271.324 0.696 20 0 CCADLP Cc1c[nH+]cn1CC(=O)OCC[NH+]1CCSCC1 ZINC000859947771 644747700 /nfs/dbraw/zinc/74/77/00/644747700.db2.gz NGGRCAXHPVBAJB-UHFFFAOYSA-N 2 2 269.370 0.784 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)NCc2c[nH+]cn2C)C[NH2+]1 ZINC000861633349 644900446 /nfs/dbraw/zinc/90/04/46/644900446.db2.gz NUPZOLZMOQBZDL-NXEZZACHSA-N 2 2 251.334 0.360 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@@H]2COCC[NH2+]2)c[nH+]1 ZINC000864086336 645169362 /nfs/dbraw/zinc/16/93/62/645169362.db2.gz GKDQYGJFMVWNSR-LLVKDONJSA-N 2 2 266.345 0.031 20 0 CCADLP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]([NH2+]Cc3cnon3)C2)C1 ZINC001019653203 650996366 /nfs/dbraw/zinc/99/63/66/650996366.db2.gz GBFOHTGYSBCDDG-NEPJUHHUSA-N 2 2 293.371 0.102 20 0 CCADLP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]([NH2+]Cc3cnon3)C2)C1 ZINC001019653203 650996369 /nfs/dbraw/zinc/99/63/69/650996369.db2.gz GBFOHTGYSBCDDG-NEPJUHHUSA-N 2 2 293.371 0.102 20 0 CCADLP C[C@H]1CCCC[N@@H+]1CCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864879633 645297991 /nfs/dbraw/zinc/29/79/91/645297991.db2.gz MIOLRBAIFAKFGD-VOKGJARPSA-N 2 2 295.427 0.865 20 0 CCADLP C[C@H]1CCCC[N@H+]1CCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864879633 645297996 /nfs/dbraw/zinc/29/79/96/645297996.db2.gz MIOLRBAIFAKFGD-VOKGJARPSA-N 2 2 295.427 0.865 20 0 CCADLP O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000865141855 645328656 /nfs/dbraw/zinc/32/86/56/645328656.db2.gz XIJHQOHNFDSJBE-OCCSQVGLSA-N 2 2 292.383 0.920 20 0 CCADLP C[C@@H](CNC(=O)/C=C/C[NH+]1CCOCC1)[N@H+](C)C1CC1 ZINC000865142755 645330123 /nfs/dbraw/zinc/33/01/23/645330123.db2.gz LGEJPCBMYHYKAV-OOPCZODUSA-N 2 2 281.400 0.474 20 0 CCADLP C[C@@H](CNC(=O)/C=C/C[NH+]1CCOCC1)[N@@H+](C)C1CC1 ZINC000865142755 645330133 /nfs/dbraw/zinc/33/01/33/645330133.db2.gz LGEJPCBMYHYKAV-OOPCZODUSA-N 2 2 281.400 0.474 20 0 CCADLP O=C([C@H](O)c1c[nH+]c[nH]1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000865987741 645453172 /nfs/dbraw/zinc/45/31/72/645453172.db2.gz BQXNYZNBAUMVJH-GXTWGEPZSA-N 2 2 292.383 0.920 20 0 CCADLP C[C@H]1CC[N@H+](CCNC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000866272343 645513411 /nfs/dbraw/zinc/51/34/11/645513411.db2.gz VJFVWOACSYFSPA-SFAKSCPVSA-N 2 2 281.400 0.333 20 0 CCADLP C[C@H]1CC[N@@H+](CCNC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000866272343 645513422 /nfs/dbraw/zinc/51/34/22/645513422.db2.gz VJFVWOACSYFSPA-SFAKSCPVSA-N 2 2 281.400 0.333 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001020314886 651059049 /nfs/dbraw/zinc/05/90/49/651059049.db2.gz XDJNDHQTSFQSBE-YVECIDJPSA-N 2 2 292.383 0.063 20 0 CCADLP C[C@@H]1C[NH+](CCC[NH2+]C[C@H](O)CC(C)(C)O)C[C@@H](C)O1 ZINC000871971737 646201450 /nfs/dbraw/zinc/20/14/50/646201450.db2.gz QCNVLVPQNOCFPJ-MGPQQGTHSA-N 2 2 288.432 0.597 20 0 CCADLP C[C@H]([NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)C1CC[NH2+]CC1 ZINC000873272275 646368911 /nfs/dbraw/zinc/36/89/11/646368911.db2.gz RJBJGWIPJAFRLS-TUKIKUTGSA-N 3 2 267.417 0.731 20 0 CCADLP O=C1OCC[C@@H]1CCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000873282477 646370102 /nfs/dbraw/zinc/37/01/02/646370102.db2.gz ISFKQVUHCRULIW-MELADBBJSA-N 2 2 282.384 0.686 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCC[C@H]1CCOC1=O ZINC000873283529 646371241 /nfs/dbraw/zinc/37/12/41/646371241.db2.gz VZSQTSCOJZHPSI-AGIUHOORSA-N 2 2 270.373 0.686 20 0 CCADLP O=C(NCCn1cc[nH+]c1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000874433740 646464682 /nfs/dbraw/zinc/46/46/82/646464682.db2.gz PYWJAVYSZHIEJC-YPMHNXCESA-N 2 2 263.345 0.467 20 0 CCADLP O=C(C[NH+]1CCCC1)NCCCCn1cc[nH+]c1 ZINC000874469325 646468723 /nfs/dbraw/zinc/46/87/23/646468723.db2.gz MWUBHIPBFRWSKP-UHFFFAOYSA-N 2 2 250.346 0.875 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C[NH+]1CCCC1 ZINC000874468196 646468986 /nfs/dbraw/zinc/46/89/86/646468986.db2.gz FSVAPRHVOSPKMQ-UHFFFAOYSA-N 3 2 296.459 0.567 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C[NH+]1CCCC1 ZINC000874468196 646468991 /nfs/dbraw/zinc/46/89/91/646468991.db2.gz FSVAPRHVOSPKMQ-UHFFFAOYSA-N 3 2 296.459 0.567 20 0 CCADLP O=C(/C=C\C[NH+]1CCOCC1)NC[C@@H]1CCCC[NH2+]1 ZINC000876513638 646615891 /nfs/dbraw/zinc/61/58/91/646615891.db2.gz GPZLDUKOWVCWQF-DXTPNHAXSA-N 2 2 267.373 0.133 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876707472 646647351 /nfs/dbraw/zinc/64/73/51/646647351.db2.gz HIXPGEANKJZYGU-WDEREUQCSA-N 2 2 254.309 0.337 20 0 CCADLP O=C(/C=C/[C@@H]1CCC[NH2+]C1)NCCCn1cc[nH+]c1 ZINC000876707412 646647457 /nfs/dbraw/zinc/64/74/57/646647457.db2.gz FRLMNSKMGUYXGN-IHVVCDCBSA-N 2 2 262.357 0.945 20 0 CCADLP O=C([C@H](F)[C@H]1CC[NH2+]C1)N1CC[NH+](C2CC2)CC1 ZINC000876718951 646649501 /nfs/dbraw/zinc/64/95/01/646649501.db2.gz ZRSNOWGVVWEBEG-CMPLNLGQSA-N 2 2 255.337 0.241 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876724439 646650813 /nfs/dbraw/zinc/65/08/13/646650813.db2.gz XEDSKPFRRBRJBA-UTUOFQBUSA-N 2 2 269.389 0.197 20 0 CCADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@H]1CCC[NH2+]CC1 ZINC000876825993 646674575 /nfs/dbraw/zinc/67/45/75/646674575.db2.gz ANTNAWXQVONPFI-LSYFEZSPSA-N 2 2 267.373 0.133 20 0 CCADLP [NH3+]CC1(CCNC(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000876947934 646704428 /nfs/dbraw/zinc/70/44/28/646704428.db2.gz OKXAGIXKQURWJR-OWOJBTEDSA-N 2 2 267.373 0.120 20 0 CCADLP [NH3+][C@H]1CC[C@H](NC(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000877292869 646781426 /nfs/dbraw/zinc/78/14/26/646781426.db2.gz FMFGHRFSORIVGH-YPQSGKGNSA-N 2 2 267.373 0.261 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877354934 646801910 /nfs/dbraw/zinc/80/19/10/646801910.db2.gz JOHYRZBPKUPQQS-RKDXNWHRSA-N 2 2 290.289 0.856 20 0 CCADLP O=C(N[C@@]12CCC[C@@H]1[NH2+]CC2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000877386781 646808023 /nfs/dbraw/zinc/80/80/23/646808023.db2.gz WRYWFKRHPPCINX-KOXOONSLSA-N 2 2 260.341 0.914 20 0 CCADLP O=C(N[C@@]12CCC[C@@H]1[NH2+]CC2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000877386781 646808022 /nfs/dbraw/zinc/80/80/22/646808022.db2.gz WRYWFKRHPPCINX-KOXOONSLSA-N 2 2 260.341 0.914 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000127050898 646898577 /nfs/dbraw/zinc/89/85/77/646898577.db2.gz OJONSUODFWCHGX-TZMCWYRMSA-N 2 2 294.399 0.807 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000127050898 646898578 /nfs/dbraw/zinc/89/85/78/646898578.db2.gz OJONSUODFWCHGX-TZMCWYRMSA-N 2 2 294.399 0.807 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000127050450 646898907 /nfs/dbraw/zinc/89/89/07/646898907.db2.gz OJONSUODFWCHGX-OCCSQVGLSA-N 2 2 294.399 0.807 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000127050450 646898910 /nfs/dbraw/zinc/89/89/10/646898910.db2.gz OJONSUODFWCHGX-OCCSQVGLSA-N 2 2 294.399 0.807 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](O)CC(C)(C)C1 ZINC000879624609 647087651 /nfs/dbraw/zinc/08/76/51/647087651.db2.gz XUKDKWQZUNBINH-QWHCGFSZSA-N 2 2 258.406 0.780 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](O)CC(C)(C)C1 ZINC000879624609 647087655 /nfs/dbraw/zinc/08/76/55/647087655.db2.gz XUKDKWQZUNBINH-QWHCGFSZSA-N 2 2 258.406 0.780 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879624609 647087659 /nfs/dbraw/zinc/08/76/59/647087659.db2.gz XUKDKWQZUNBINH-QWHCGFSZSA-N 2 2 258.406 0.780 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879624609 647087665 /nfs/dbraw/zinc/08/76/65/647087665.db2.gz XUKDKWQZUNBINH-QWHCGFSZSA-N 2 2 258.406 0.780 20 0 CCADLP OCC1(CO)CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000879969818 647137262 /nfs/dbraw/zinc/13/72/62/647137262.db2.gz FMDVPCPLJWDJLT-UHFFFAOYSA-N 2 2 253.346 0.340 20 0 CCADLP OC1(C[N@@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)CCOCC1 ZINC000880203029 647168814 /nfs/dbraw/zinc/16/88/14/647168814.db2.gz AGNQYFOQXLAMJW-OAHLLOKOSA-N 2 2 298.427 0.761 20 0 CCADLP OC1(C[N@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)CCOCC1 ZINC000880203029 647168815 /nfs/dbraw/zinc/16/88/15/647168815.db2.gz AGNQYFOQXLAMJW-OAHLLOKOSA-N 2 2 298.427 0.761 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)N(C)C)CCN1c1cc[nH+]cc1 ZINC000880258470 647175969 /nfs/dbraw/zinc/17/59/69/647175969.db2.gz GRFPYOUPXYUKJZ-LBPRGKRZSA-N 2 2 262.357 0.680 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)N(C)C)CCN1c1cc[nH+]cc1 ZINC000880258470 647175973 /nfs/dbraw/zinc/17/59/73/647175973.db2.gz GRFPYOUPXYUKJZ-LBPRGKRZSA-N 2 2 262.357 0.680 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)N(C)C)CCN1c1cc[nH+]cc1 ZINC000880258469 647175996 /nfs/dbraw/zinc/17/59/96/647175996.db2.gz GRFPYOUPXYUKJZ-GFCCVEGCSA-N 2 2 262.357 0.680 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)C)CCN1c1cc[nH+]cc1 ZINC000880258469 647175999 /nfs/dbraw/zinc/17/59/99/647175999.db2.gz GRFPYOUPXYUKJZ-GFCCVEGCSA-N 2 2 262.357 0.680 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CCCCCCO)CC1 ZINC000131350204 647506527 /nfs/dbraw/zinc/50/65/27/647506527.db2.gz XNGMOELUECSYQX-HNNXBMFYSA-N 2 2 297.443 0.953 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CCCCCCO)CC1 ZINC000131350204 647506529 /nfs/dbraw/zinc/50/65/29/647506529.db2.gz XNGMOELUECSYQX-HNNXBMFYSA-N 2 2 297.443 0.953 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC000134198023 647705365 /nfs/dbraw/zinc/70/53/65/647705365.db2.gz NAVQZXOQFBAXQW-GRYCIOLGSA-N 2 2 271.405 0.646 20 0 CCADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CC(=O)N(C)C ZINC000887131369 648072033 /nfs/dbraw/zinc/07/20/33/648072033.db2.gz WHEAEOFUIBUCIU-LBPRGKRZSA-N 2 2 262.357 0.680 20 0 CCADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC(=O)N(C)C ZINC000887131369 648072037 /nfs/dbraw/zinc/07/20/37/648072037.db2.gz WHEAEOFUIBUCIU-LBPRGKRZSA-N 2 2 262.357 0.680 20 0 CCADLP C[C@H]1C[N@@H+]([C@@H]2CC(=O)N(C)C2=O)CCN1c1cc[nH+]cc1 ZINC000887300908 648088721 /nfs/dbraw/zinc/08/87/21/648088721.db2.gz HBZIMHPEEWCSNU-WCQYABFASA-N 2 2 288.351 0.349 20 0 CCADLP C[C@H]1C[N@H+]([C@@H]2CC(=O)N(C)C2=O)CCN1c1cc[nH+]cc1 ZINC000887300908 648088727 /nfs/dbraw/zinc/08/87/27/648088727.db2.gz HBZIMHPEEWCSNU-WCQYABFASA-N 2 2 288.351 0.349 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889756878 648244103 /nfs/dbraw/zinc/24/41/03/648244103.db2.gz OXMXLHODISIDHC-UONOGXRCSA-N 2 2 292.383 0.318 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889756878 648244111 /nfs/dbraw/zinc/24/41/11/648244111.db2.gz OXMXLHODISIDHC-UONOGXRCSA-N 2 2 292.383 0.318 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NCC[NH+](C)CCC[NH+](C)C)CC[N@@H+]1C ZINC000925344743 648422810 /nfs/dbraw/zinc/42/28/10/648422810.db2.gz VAGFJABJGHBHCW-KGLIPLIRSA-N 3 2 299.463 0.262 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NCC[NH+](C)CCC[NH+](C)C)CC[N@H+]1C ZINC000925344743 648422812 /nfs/dbraw/zinc/42/28/12/648422812.db2.gz VAGFJABJGHBHCW-KGLIPLIRSA-N 3 2 299.463 0.262 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)CC[NH+]1C ZINC000925344743 648422813 /nfs/dbraw/zinc/42/28/13/648422813.db2.gz VAGFJABJGHBHCW-KGLIPLIRSA-N 3 2 299.463 0.262 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC[NH+]1C ZINC000925344743 648422815 /nfs/dbraw/zinc/42/28/15/648422815.db2.gz VAGFJABJGHBHCW-KGLIPLIRSA-N 3 2 299.463 0.262 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925639152 648449475 /nfs/dbraw/zinc/44/94/75/648449475.db2.gz KDTAHZYZXWXYCW-DYEKYZERSA-N 3 2 255.406 0.549 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925639152 648449477 /nfs/dbraw/zinc/44/94/77/648449477.db2.gz KDTAHZYZXWXYCW-DYEKYZERSA-N 3 2 255.406 0.549 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000925628544 648449524 /nfs/dbraw/zinc/44/95/24/648449524.db2.gz IKEXGEQPJMHUHD-RWMBFGLXSA-N 2 2 270.373 0.639 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000925709826 648455473 /nfs/dbraw/zinc/45/54/73/648455473.db2.gz ADMFIOYZHOULHG-WCQGTBRESA-N 2 2 253.346 0.700 20 0 CCADLP Cc1cc(CC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)nn1C ZINC000925834394 648465734 /nfs/dbraw/zinc/46/57/34/648465734.db2.gz NJOSOZHGBWRGOQ-GJZGRUSLSA-N 2 2 278.400 0.628 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2ccn(CCF)n2)CC1 ZINC000926190250 648492488 /nfs/dbraw/zinc/49/24/88/648492488.db2.gz PQNAXWMPWACLNG-UHFFFAOYSA-N 2 2 298.366 0.397 20 0 CCADLP C[C@@H]1COC[C@@H]1[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000926865439 648531380 /nfs/dbraw/zinc/53/13/80/648531380.db2.gz JTCZZZLTPWLXBA-OAGGEKHMSA-N 2 2 297.443 0.408 20 0 CCADLP Cc1ccc(NCCNC(=O)N2CC[NH+](C)CC2)[nH+]c1 ZINC000927465196 648559240 /nfs/dbraw/zinc/55/92/40/648559240.db2.gz YWLPGGBBSBRFFH-UHFFFAOYSA-N 2 2 277.372 0.759 20 0 CCADLP Nc1cc[nH+]c2c1C[N@H+](CC[C@@H]1CCNC1=O)CC2 ZINC000931518628 649000435 /nfs/dbraw/zinc/00/04/35/649000435.db2.gz QCSXVBPKQCOQNM-JTQLQIEISA-N 2 2 260.341 0.548 20 0 CCADLP Nc1cc[nH+]c2c1C[N@@H+](CC[C@@H]1CCNC1=O)CC2 ZINC000931518628 649000439 /nfs/dbraw/zinc/00/04/39/649000439.db2.gz QCSXVBPKQCOQNM-JTQLQIEISA-N 2 2 260.341 0.548 20 0 CCADLP Cc1nc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c(C)c(C)[nH+]1 ZINC000299747412 719461921 /nfs/dbraw/zinc/46/19/21/719461921.db2.gz CXQKMTRYBZDVHD-QWHCGFSZSA-N 2 2 262.357 0.921 20 0 CCADLP Cc1nc(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c(C)c(C)[nH+]1 ZINC000299747412 719461924 /nfs/dbraw/zinc/46/19/24/719461924.db2.gz CXQKMTRYBZDVHD-QWHCGFSZSA-N 2 2 262.357 0.921 20 0 CCADLP Nc1nc(N2CC[NH+](CCc3ccccn3)CC2)cc[nH+]1 ZINC001165055888 722016306 /nfs/dbraw/zinc/01/63/06/722016306.db2.gz NCDJAVSVXCQPRT-UHFFFAOYSA-N 2 2 284.367 0.819 20 0 CCADLP COCC[NH+]1CCC(NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001230163915 805585002 /nfs/dbraw/zinc/58/50/02/805585002.db2.gz QPPNQGLTPFWWQN-UHFFFAOYSA-N 2 2 294.399 0.580 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001266735699 791200697 /nfs/dbraw/zinc/20/06/97/791200697.db2.gz SFHXJWPQLQLJHF-UTUOFQBUSA-N 2 2 266.345 0.155 20 0 CCADLP O=C1COc2cc[nH+]c(N3CCc4[nH+]ccn4CC3)c2N1 ZINC001167182285 790679823 /nfs/dbraw/zinc/67/98/23/790679823.db2.gz LJYAQBZFRLTKNN-UHFFFAOYSA-N 2 2 285.307 0.672 20 0 CCADLP CCOCCC[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001266551435 790917521 /nfs/dbraw/zinc/91/75/21/790917521.db2.gz RIMWKHQJUDAECE-CQSZACIVSA-N 2 2 294.399 0.748 20 0 CCADLP CCOCCC[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001266551435 790917522 /nfs/dbraw/zinc/91/75/22/790917522.db2.gz RIMWKHQJUDAECE-CQSZACIVSA-N 2 2 294.399 0.748 20 0 CCADLP CO[C@@H](C)C[NH2+]CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001167428738 791063669 /nfs/dbraw/zinc/06/36/69/791063669.db2.gz MVNVEJYGUJADTL-OLZOCXBDSA-N 2 2 282.388 0.965 20 0 CCADLP CCN(C(=O)[C@@H](CO)n1cc[nH+]c1)[C@@H]1CCC[NH2+]C1 ZINC001161333067 791113667 /nfs/dbraw/zinc/11/36/67/791113667.db2.gz QCZUCFGVBRLQNU-VXGBXAGGSA-N 2 2 266.345 0.017 20 0 CCADLP C[NH+]1CCN(C2C[NH+](Cc3c[nH]c4cnccc34)C2)CC1 ZINC001231520592 805813308 /nfs/dbraw/zinc/81/33/08/805813308.db2.gz RWMGXIUDKSJAHH-UHFFFAOYSA-N 2 2 285.395 0.995 20 0 CCADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1c[nH]c(=O)[nH]c1=O)C2 ZINC001231705740 805841855 /nfs/dbraw/zinc/84/18/55/805841855.db2.gz AIYMJIGAVUPMEI-ZWNOBZJWSA-N 2 2 264.329 0.271 20 0 CCADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1c[nH]c(=O)[nH]c1=O)C2 ZINC001231705740 805841864 /nfs/dbraw/zinc/84/18/64/805841864.db2.gz AIYMJIGAVUPMEI-ZWNOBZJWSA-N 2 2 264.329 0.271 20 0 CCADLP COc1ccnc(C[N@H+](C)CCN2CC[NH+](C)CC2)c1 ZINC001231967988 805876229 /nfs/dbraw/zinc/87/62/29/805876229.db2.gz FGNMHBTZRPHGSR-UHFFFAOYSA-N 2 2 278.400 0.769 20 0 CCADLP COc1ccnc(C[N@@H+](C)CCN2CC[NH+](C)CC2)c1 ZINC001231967988 805876236 /nfs/dbraw/zinc/87/62/36/805876236.db2.gz FGNMHBTZRPHGSR-UHFFFAOYSA-N 2 2 278.400 0.769 20 0 CCADLP CC[C@H](C(=O)N(C)C1C[NH+](CCOCC2CC2)C1)[NH+](C)C ZINC001277617231 805902724 /nfs/dbraw/zinc/90/27/24/805902724.db2.gz DHORYOSWCJYERB-OAHLLOKOSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H](C[NH2+]CCO)C1CC1 ZINC001277709101 805975258 /nfs/dbraw/zinc/97/52/58/805975258.db2.gz DWKLHDHKWMFAIA-RISCZKNCSA-N 2 2 294.399 0.407 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H](C[NH2+]CCO)C1CC1 ZINC001277709101 805975265 /nfs/dbraw/zinc/97/52/65/805975265.db2.gz DWKLHDHKWMFAIA-RISCZKNCSA-N 2 2 294.399 0.407 20 0 CCADLP Cc1cc(NC2CC2)nc(N2C[C@@H]3C[N@H+](C)C[C@H](C2)O3)[nH+]1 ZINC001277739111 806000494 /nfs/dbraw/zinc/00/04/94/806000494.db2.gz XXOMBFPBSKOSGI-BETUJISGSA-N 2 2 289.383 0.879 20 0 CCADLP Cc1cc(NC2CC2)nc(N2C[C@@H]3C[N@@H+](C)C[C@H](C2)O3)[nH+]1 ZINC001277739111 806000508 /nfs/dbraw/zinc/00/05/08/806000508.db2.gz XXOMBFPBSKOSGI-BETUJISGSA-N 2 2 289.383 0.879 20 0 CCADLP Cn1c[nH+]cc1N1CC2(CC[N@@H+]2Cc2cccc(=O)[nH]2)C1 ZINC001277765691 806024710 /nfs/dbraw/zinc/02/47/10/806024710.db2.gz NXFMBKJUPCJAIP-UHFFFAOYSA-N 2 2 285.351 0.985 20 0 CCADLP Cn1c[nH+]cc1N1CC2(CC[N@H+]2Cc2cccc(=O)[nH]2)C1 ZINC001277765691 806024716 /nfs/dbraw/zinc/02/47/16/806024716.db2.gz NXFMBKJUPCJAIP-UHFFFAOYSA-N 2 2 285.351 0.985 20 0 CCADLP Nc1cccc(CN2CCO[C@H](C[NH+]3CCCC3)C2)[nH+]1 ZINC001233373171 806049691 /nfs/dbraw/zinc/04/96/91/806049691.db2.gz WBMHSPGKOGQHSW-CQSZACIVSA-N 2 2 276.384 0.960 20 0 CCADLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1cccc(N)n1 ZINC001233371830 806051269 /nfs/dbraw/zinc/05/12/69/806051269.db2.gz KBXCVPLYDIMPIH-UHFFFAOYSA-N 2 2 263.389 0.343 20 0 CCADLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cccc(N)n1 ZINC001233371830 806051277 /nfs/dbraw/zinc/05/12/77/806051277.db2.gz KBXCVPLYDIMPIH-UHFFFAOYSA-N 2 2 263.389 0.343 20 0 CCADLP CCOCC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001267065194 791493444 /nfs/dbraw/zinc/49/34/44/791493444.db2.gz QGHCVESBLQNWDJ-CYBMUJFWSA-N 2 2 294.399 0.437 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1cnon1 ZINC001267116796 791558423 /nfs/dbraw/zinc/55/84/23/791558423.db2.gz HXJKHZQMTBOXIE-CYBMUJFWSA-N 2 2 295.387 0.492 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1cnon1 ZINC001267116796 791558430 /nfs/dbraw/zinc/55/84/30/791558430.db2.gz HXJKHZQMTBOXIE-CYBMUJFWSA-N 2 2 295.387 0.492 20 0 CCADLP Cc1[nH+]c[nH]c1CN1CC([N@@H+](C)[C@@H]2CCOC2)C1 ZINC001204590918 791588286 /nfs/dbraw/zinc/58/82/86/791588286.db2.gz UXKFHOBBCDRTNH-LLVKDONJSA-N 2 2 250.346 0.623 20 0 CCADLP Cc1[nH+]c[nH]c1CN1CC([N@H+](C)[C@@H]2CCOC2)C1 ZINC001204590918 791588296 /nfs/dbraw/zinc/58/82/96/791588296.db2.gz UXKFHOBBCDRTNH-LLVKDONJSA-N 2 2 250.346 0.623 20 0 CCADLP C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3COC[C@H]3O2)[C@H](C[NH3+])C1 ZINC000724601710 791621308 /nfs/dbraw/zinc/62/13/08/791621308.db2.gz UZAYGRWAWKJNKI-IKOXMDCHSA-N 2 2 254.374 0.850 20 0 CCADLP C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3COC[C@H]3O2)[C@H](C[NH3+])C1 ZINC000724601710 791621313 /nfs/dbraw/zinc/62/13/13/791621313.db2.gz UZAYGRWAWKJNKI-IKOXMDCHSA-N 2 2 254.374 0.850 20 0 CCADLP C[NH+]1CCC(C[N@@H+]2Cc3ccnn3CC[C@H]2C(N)=O)CC1 ZINC001277798741 806104019 /nfs/dbraw/zinc/10/40/19/806104019.db2.gz OAJSJWOPHWZJGN-AWEZNQCLSA-N 2 2 291.399 0.285 20 0 CCADLP C[NH+]1CCC(C[N@H+]2Cc3ccnn3CC[C@H]2C(N)=O)CC1 ZINC001277798741 806104022 /nfs/dbraw/zinc/10/40/22/806104022.db2.gz OAJSJWOPHWZJGN-AWEZNQCLSA-N 2 2 291.399 0.285 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001233976950 806160940 /nfs/dbraw/zinc/16/09/40/806160940.db2.gz JNYLABRIEHRCSJ-QWHCGFSZSA-N 2 2 294.399 0.910 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001233976950 806160942 /nfs/dbraw/zinc/16/09/42/806160942.db2.gz JNYLABRIEHRCSJ-QWHCGFSZSA-N 2 2 294.399 0.910 20 0 CCADLP CCOC(=O)C(=O)C[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC001277840156 806207270 /nfs/dbraw/zinc/20/72/70/806207270.db2.gz YCDMFRDLTDITQQ-UHFFFAOYSA-N 2 2 268.357 0.536 20 0 CCADLP CCOC(=O)C(=O)C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC001277840156 806207277 /nfs/dbraw/zinc/20/72/77/806207277.db2.gz YCDMFRDLTDITQQ-UHFFFAOYSA-N 2 2 268.357 0.536 20 0 CCADLP CC(=O)[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001277884696 806301255 /nfs/dbraw/zinc/30/12/55/806301255.db2.gz DKAUHDYJZQURHG-FPMFFAJLSA-N 2 2 253.390 0.674 20 0 CCADLP CC(=O)[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001277884696 806301264 /nfs/dbraw/zinc/30/12/64/806301264.db2.gz DKAUHDYJZQURHG-FPMFFAJLSA-N 2 2 253.390 0.674 20 0 CCADLP Cn1nnc2cc(C[N@@H+]3CCN[C@@]4(CC[NH2+]C4)C3)ccc21 ZINC001235059736 806361751 /nfs/dbraw/zinc/36/17/51/806361751.db2.gz DHSVHOKIJWJUAE-OAHLLOKOSA-N 2 2 286.383 0.106 20 0 CCADLP Cn1nnc2cc(C[N@H+]3CCN[C@@]4(CC[NH2+]C4)C3)ccc21 ZINC001235059736 806361762 /nfs/dbraw/zinc/36/17/62/806361762.db2.gz DHSVHOKIJWJUAE-OAHLLOKOSA-N 2 2 286.383 0.106 20 0 CCADLP c1cn2cccc(C[N@@H+]3CCN[C@]4(CC[NH2+]C4)C3)c2n1 ZINC001235064748 806365839 /nfs/dbraw/zinc/36/58/39/806365839.db2.gz TWJGEJNYNBKASU-HNNXBMFYSA-N 2 2 271.368 0.472 20 0 CCADLP c1cn2cccc(C[N@H+]3CCN[C@]4(CC[NH2+]C4)C3)c2n1 ZINC001235064748 806365849 /nfs/dbraw/zinc/36/58/49/806365849.db2.gz TWJGEJNYNBKASU-HNNXBMFYSA-N 2 2 271.368 0.472 20 0 CCADLP COc1cccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1N ZINC001235064884 806367468 /nfs/dbraw/zinc/36/74/68/806367468.db2.gz YQQAGCYOGBSSED-OAHLLOKOSA-N 2 2 276.384 0.415 20 0 CCADLP COc1cccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1N ZINC001235064884 806367475 /nfs/dbraw/zinc/36/74/75/806367475.db2.gz YQQAGCYOGBSSED-OAHLLOKOSA-N 2 2 276.384 0.415 20 0 CCADLP c1cn2ccc(CN3CCN[C@@]4(CC[NH2+]C4)C3)cc2[nH+]1 ZINC001235065648 806368112 /nfs/dbraw/zinc/36/81/12/806368112.db2.gz YEQPTCOMQMUPPI-OAHLLOKOSA-N 2 2 271.368 0.472 20 0 CCADLP CCOC(=O)[C@@]12CCO[C@@H]1CC[N@H+](C[C@H](C)[NH3+])C2 ZINC001235267405 806400236 /nfs/dbraw/zinc/40/02/36/806400236.db2.gz IAGDAIMWHPZAPI-DMDPSCGWSA-N 2 2 256.346 0.378 20 0 CCADLP CCOC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](C[C@H](C)[NH3+])C2 ZINC001235267405 806400241 /nfs/dbraw/zinc/40/02/41/806400241.db2.gz IAGDAIMWHPZAPI-DMDPSCGWSA-N 2 2 256.346 0.378 20 0 CCADLP CCOCC[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001277948877 806434918 /nfs/dbraw/zinc/43/49/18/806434918.db2.gz WIEKFQOTOCGGDP-CYBMUJFWSA-N 2 2 280.372 0.569 20 0 CCADLP CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@@H+]2C[C@@H]2C[NH2+]C(C)(C)O2)O1 ZINC001235509851 806440631 /nfs/dbraw/zinc/44/06/31/806440631.db2.gz BRAXRRWGDNUBBZ-UMSGYPCISA-N 2 2 297.399 0.031 20 0 CCADLP CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@H+]2C[C@@H]2C[NH2+]C(C)(C)O2)O1 ZINC001235509851 806440640 /nfs/dbraw/zinc/44/06/40/806440640.db2.gz BRAXRRWGDNUBBZ-UMSGYPCISA-N 2 2 297.399 0.031 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+]1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC1 ZINC001235526818 806445650 /nfs/dbraw/zinc/44/56/50/806445650.db2.gz UBZKZAPNIFGYOC-WXHSDQCUSA-N 2 2 251.374 0.809 20 0 CCADLP C[C@@H]([NH3+])C[N@H+]1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC1 ZINC001235526818 806445653 /nfs/dbraw/zinc/44/56/53/806445653.db2.gz UBZKZAPNIFGYOC-WXHSDQCUSA-N 2 2 251.374 0.809 20 0 CCADLP [NH3+]CC[N@@H+]1CCC[C@@]2(CCN(CC3CC3)C2=O)C1 ZINC001235550323 806452665 /nfs/dbraw/zinc/45/26/65/806452665.db2.gz PGFMLSKUVHOKHF-CQSZACIVSA-N 2 2 251.374 0.670 20 0 CCADLP [NH3+]CC[N@H+]1CCC[C@@]2(CCN(CC3CC3)C2=O)C1 ZINC001235550323 806452669 /nfs/dbraw/zinc/45/26/69/806452669.db2.gz PGFMLSKUVHOKHF-CQSZACIVSA-N 2 2 251.374 0.670 20 0 CCADLP C[C@H](O)C[N@@H+]1CCC[C@@]2(CCC[NH+](CC(=O)N(C)C)C2)C1 ZINC001277959046 806481826 /nfs/dbraw/zinc/48/18/26/806481826.db2.gz PWBLLCZSKYWWGX-GOEBONIOSA-N 2 2 297.443 0.633 20 0 CCADLP C[C@H](O)C[N@H+]1CCC[C@@]2(CCC[NH+](CC(=O)N(C)C)C2)C1 ZINC001277959046 806481829 /nfs/dbraw/zinc/48/18/29/806481829.db2.gz PWBLLCZSKYWWGX-GOEBONIOSA-N 2 2 297.443 0.633 20 0 CCADLP C[C@H](O)C[NH+]1CCC[C@@]2(CCC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001277959046 806481831 /nfs/dbraw/zinc/48/18/31/806481831.db2.gz PWBLLCZSKYWWGX-GOEBONIOSA-N 2 2 297.443 0.633 20 0 CCADLP C[C@H](O)C[NH+]1CCC[C@@]2(CCC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001277959046 806481834 /nfs/dbraw/zinc/48/18/34/806481834.db2.gz PWBLLCZSKYWWGX-GOEBONIOSA-N 2 2 297.443 0.633 20 0 CCADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](CCCO)CC1 ZINC001235889431 806513306 /nfs/dbraw/zinc/51/33/06/806513306.db2.gz WFEBLURNSACIPN-AWEZNQCLSA-N 2 2 256.390 0.944 20 0 CCADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](CCCO)CC1 ZINC001235889431 806513312 /nfs/dbraw/zinc/51/33/12/806513312.db2.gz WFEBLURNSACIPN-AWEZNQCLSA-N 2 2 256.390 0.944 20 0 CCADLP CCOC(=O)[C@]12C[N@H+](Cc3cccnn3)C[C@H]1C[NH2+]CC2 ZINC001236039626 806534412 /nfs/dbraw/zinc/53/44/12/806534412.db2.gz WZDFJYNVEGLNAN-IUODEOHRSA-N 2 2 290.367 0.451 20 0 CCADLP CCOC(=O)[C@]12C[N@@H+](Cc3cccnn3)C[C@H]1C[NH2+]CC2 ZINC001236039626 806534417 /nfs/dbraw/zinc/53/44/17/806534417.db2.gz WZDFJYNVEGLNAN-IUODEOHRSA-N 2 2 290.367 0.451 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cccc2[nH+]ccn21 ZINC001236202942 806555167 /nfs/dbraw/zinc/55/51/67/806555167.db2.gz YWDKSLINABPTHF-JQWIXIFHSA-N 2 2 274.324 0.409 20 0 CCADLP COC(=O)N1CCC([NH2+][C@@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001246096854 807152948 /nfs/dbraw/zinc/15/29/48/807152948.db2.gz NCZWZLQBSKWJDX-GHMZBOCLSA-N 2 2 259.325 0.507 20 0 CCADLP CCCNC(=O)COC1CC[NH+](C[C@@H](C)[NH3+])CC1 ZINC001236861308 806616361 /nfs/dbraw/zinc/61/63/61/806616361.db2.gz ZZHOAWKVAUPVNG-LLVKDONJSA-N 2 2 257.378 0.341 20 0 CCADLP Cc1cccc2[nH+]cc(NS(=O)(=O)CC[NH3+])n21 ZINC001237566868 806686871 /nfs/dbraw/zinc/68/68/71/806686871.db2.gz WMPWQOZKECMAHZ-UHFFFAOYSA-N 2 2 254.315 0.343 20 0 CCADLP C[C@@H]1CN(CC[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)[C@@H](C)CO1 ZINC001120589778 798879094 /nfs/dbraw/zinc/87/90/94/798879094.db2.gz RRYIONMCKVTOIE-GZBFAFLISA-N 2 2 285.432 0.140 20 0 CCADLP C[C@@H]1CN(CC[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)[C@@H](C)CO1 ZINC001120589778 798879101 /nfs/dbraw/zinc/87/91/01/798879101.db2.gz RRYIONMCKVTOIE-GZBFAFLISA-N 2 2 285.432 0.140 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)N2CC=CCC2)CC1 ZINC001120648397 798902780 /nfs/dbraw/zinc/90/27/80/798902780.db2.gz JDNCTJINWMBTAT-UHFFFAOYSA-N 2 2 252.362 0.381 20 0 CCADLP C[C@@H]1CCC[N@H+](CCNC(=O)C[C@@H]([NH3+])C(F)F)C1 ZINC001121982253 799113623 /nfs/dbraw/zinc/11/36/23/799113623.db2.gz CUWJAHMTXBOBIH-NXEZZACHSA-N 2 2 263.332 0.817 20 0 CCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)C[C@@H]([NH3+])C(F)F)C1 ZINC001121982253 799113625 /nfs/dbraw/zinc/11/36/25/799113625.db2.gz CUWJAHMTXBOBIH-NXEZZACHSA-N 2 2 263.332 0.817 20 0 CCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H]([NH3+])C(F)F)C1 ZINC001122005755 799120490 /nfs/dbraw/zinc/12/04/90/799120490.db2.gz STLOFCBUXITORQ-VHSXEESVSA-N 2 2 263.332 0.769 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@@H]([NH3+])C(F)F)C1 ZINC001122005755 799120492 /nfs/dbraw/zinc/12/04/92/799120492.db2.gz STLOFCBUXITORQ-VHSXEESVSA-N 2 2 263.332 0.769 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)C[C@H]([NH3+])C1CC1 ZINC001122254296 799179893 /nfs/dbraw/zinc/17/98/93/799179893.db2.gz ODNSFQSLSXAJJW-OLZOCXBDSA-N 2 2 269.389 0.341 20 0 CCADLP CC1(C)C[NH2+]C[C@@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001122362516 799212718 /nfs/dbraw/zinc/21/27/18/799212718.db2.gz CPYOSVYRGFSAFJ-QWRGUYRKSA-N 2 2 262.357 0.560 20 0 CCADLP C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)NCCCn3cc[nH+]c3)[C@@H]2C1 ZINC001123568642 799433836 /nfs/dbraw/zinc/43/38/36/799433836.db2.gz FZCJYKVLSYIGSU-BFHYXJOUSA-N 2 2 291.399 0.913 20 0 CCADLP C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)NCCCn3cc[nH+]c3)[C@@H]2C1 ZINC001123568642 799433839 /nfs/dbraw/zinc/43/38/39/799433839.db2.gz FZCJYKVLSYIGSU-BFHYXJOUSA-N 2 2 291.399 0.913 20 0 CCADLP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NCCCn3cc[nH+]c3)[C@@H]2C1 ZINC001123568645 799434524 /nfs/dbraw/zinc/43/45/24/799434524.db2.gz FZCJYKVLSYIGSU-MJBXVCDLSA-N 2 2 291.399 0.913 20 0 CCADLP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)NCCCn3cc[nH+]c3)[C@@H]2C1 ZINC001123568645 799434526 /nfs/dbraw/zinc/43/45/26/799434526.db2.gz FZCJYKVLSYIGSU-MJBXVCDLSA-N 2 2 291.399 0.913 20 0 CCADLP CCc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001124879593 799642652 /nfs/dbraw/zinc/64/26/52/799642652.db2.gz XCBZHULPENEAOI-MNOVXSKESA-N 2 2 295.387 0.493 20 0 CCADLP CCc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001124879593 799642658 /nfs/dbraw/zinc/64/26/58/799642658.db2.gz XCBZHULPENEAOI-MNOVXSKESA-N 2 2 295.387 0.493 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C)c1ncccn1 ZINC001124879833 799643006 /nfs/dbraw/zinc/64/30/06/799643006.db2.gz ZZJKWZDVCDBOTA-VXGBXAGGSA-N 2 2 277.372 0.338 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C)c1ncccn1 ZINC001124879833 799643010 /nfs/dbraw/zinc/64/30/10/799643010.db2.gz ZZJKWZDVCDBOTA-VXGBXAGGSA-N 2 2 277.372 0.338 20 0 CCADLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ncccc1O ZINC001138394159 799726074 /nfs/dbraw/zinc/72/60/74/799726074.db2.gz HRIHGFDGEQNULV-UHFFFAOYSA-N 2 2 264.373 0.466 20 0 CCADLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ncccc1O ZINC001138394159 799726077 /nfs/dbraw/zinc/72/60/77/799726077.db2.gz HRIHGFDGEQNULV-UHFFFAOYSA-N 2 2 264.373 0.466 20 0 CCADLP C[N@H+](C1CCOCC1)C1CC[NH+](C[C@H]2CCC(=O)N2)CC1 ZINC001202877440 799767215 /nfs/dbraw/zinc/76/72/15/799767215.db2.gz FMESRWLPEBLHBG-CYBMUJFWSA-N 2 2 295.427 0.840 20 0 CCADLP C[N@@H+](C1CCOCC1)C1CC[NH+](C[C@H]2CCC(=O)N2)CC1 ZINC001202877440 799767221 /nfs/dbraw/zinc/76/72/21/799767221.db2.gz FMESRWLPEBLHBG-CYBMUJFWSA-N 2 2 295.427 0.840 20 0 CCADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](C[C@H]2CCC(=O)N2)CC1 ZINC001202878164 799768613 /nfs/dbraw/zinc/76/86/13/799768613.db2.gz MOLSUSSPDLHMEU-UKRRQHHQSA-N 2 2 295.427 0.840 20 0 CCADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](C[C@H]2CCC(=O)N2)CC1 ZINC001202878164 799768617 /nfs/dbraw/zinc/76/86/17/799768617.db2.gz MOLSUSSPDLHMEU-UKRRQHHQSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H]3CO)s2)CC1 ZINC001139321347 799804092 /nfs/dbraw/zinc/80/40/92/799804092.db2.gz FMIMQKLNUWDTRR-LBPRGKRZSA-N 2 2 296.440 0.852 20 0 CCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H]3CO)s2)CC1 ZINC001139321347 799804101 /nfs/dbraw/zinc/80/41/01/799804101.db2.gz FMIMQKLNUWDTRR-LBPRGKRZSA-N 2 2 296.440 0.852 20 0 CCADLP c1cn2c([nH+]1)CC[N@H+](Cc1cn(-c3cnccn3)cn1)CC2 ZINC001238820263 806811398 /nfs/dbraw/zinc/81/13/98/806811398.db2.gz QAWNYJATZHIIFY-UHFFFAOYSA-N 2 2 295.350 0.917 20 0 CCADLP c1cn2c([nH+]1)CC[N@@H+](Cc1cn(-c3cnccn3)cn1)CC2 ZINC001238820263 806811406 /nfs/dbraw/zinc/81/14/06/806811406.db2.gz QAWNYJATZHIIFY-UHFFFAOYSA-N 2 2 295.350 0.917 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[N@H+](CCF)CCCO1 ZINC001150725913 800363000 /nfs/dbraw/zinc/36/30/00/800363000.db2.gz XNSMTJBPNAXKBG-ZDUSSCGKSA-N 2 2 298.362 0.368 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[N@@H+](CCF)CCCO1 ZINC001150725913 800363009 /nfs/dbraw/zinc/36/30/09/800363009.db2.gz XNSMTJBPNAXKBG-ZDUSSCGKSA-N 2 2 298.362 0.368 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)C[NH+]1CCCC1)c1csnn1 ZINC001151100756 800400160 /nfs/dbraw/zinc/40/01/60/800400160.db2.gz GUGZBHJIIVTYGO-SNVBAGLBSA-N 2 2 283.401 0.401 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[NH2+][C@@H](C)c1csnn1 ZINC001151121535 800400442 /nfs/dbraw/zinc/40/04/42/800400442.db2.gz HSFRYYDQBIOJLV-VIFPVBQESA-N 2 2 294.384 0.510 20 0 CCADLP Cc1nonc1C[NH2+]CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001152138096 800494745 /nfs/dbraw/zinc/49/47/45/800494745.db2.gz RDMIEGTUDNEFFS-QWRGUYRKSA-N 2 2 295.387 0.457 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[NH2+]Cc1cnon1 ZINC001152149068 800495966 /nfs/dbraw/zinc/49/59/66/800495966.db2.gz UBHHGAZBLPIBTF-GHMZBOCLSA-N 2 2 281.360 0.148 20 0 CCADLP C[C@@H](O)C[NH2+]CCNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001152202581 800500406 /nfs/dbraw/zinc/50/04/06/800500406.db2.gz NRUWUNALSFBUFA-LLVKDONJSA-N 2 2 297.424 0.193 20 0 CCADLP C[C@@H](O)C[NH2+]CCNC(=O)C[N@H+]1CCc2sccc2C1 ZINC001152202581 800500410 /nfs/dbraw/zinc/50/04/10/800500410.db2.gz NRUWUNALSFBUFA-LLVKDONJSA-N 2 2 297.424 0.193 20 0 CCADLP COC[C@H](C)[NH2+]CCNC(=O)CCCn1cc[nH+]c1 ZINC001153351700 800624771 /nfs/dbraw/zinc/62/47/71/800624771.db2.gz YYEUBOYWCUDODZ-LBPRGKRZSA-N 2 2 268.361 0.404 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CC=C(Cl)Cl ZINC001153495195 800635085 /nfs/dbraw/zinc/63/50/85/800635085.db2.gz FUTPYWOCCVQVHO-UHFFFAOYSA-N 2 2 277.155 0.908 20 0 CCADLP CC(C)OCC[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153500100 800637082 /nfs/dbraw/zinc/63/70/82/800637082.db2.gz FOEWTKJQRLKQAN-UHFFFAOYSA-N 2 2 254.334 0.014 20 0 CCADLP CCOC(=O)CN(CC[NH3+])C(=O)c1cccc2[nH+]ccn21 ZINC001154525702 800793680 /nfs/dbraw/zinc/79/36/80/800793680.db2.gz TXROJCYCELCASC-UHFFFAOYSA-N 2 2 290.323 0.298 20 0 CCADLP CC[N@H+](CCCO)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001154537395 800796942 /nfs/dbraw/zinc/79/69/42/800796942.db2.gz VQSOXVRASABZLO-CYBMUJFWSA-N 2 2 282.388 0.482 20 0 CCADLP CC[N@@H+](CCCO)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001154537395 800796946 /nfs/dbraw/zinc/79/69/46/800796946.db2.gz VQSOXVRASABZLO-CYBMUJFWSA-N 2 2 282.388 0.482 20 0 CCADLP Cc1ncc(F)c(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)n1 ZINC001155373019 800961695 /nfs/dbraw/zinc/96/16/95/800961695.db2.gz LWULWWHQRZTBJC-LBPRGKRZSA-N 2 2 279.363 0.783 20 0 CCADLP Cc1nc(N(C)C)nc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)[nH+]1 ZINC001155624543 801023661 /nfs/dbraw/zinc/02/36/61/801023661.db2.gz WGEZZWOYTREJPA-SMDDNHRTSA-N 2 2 292.387 0.569 20 0 CCADLP Cc1nc(N(C)C)nc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)[nH+]1 ZINC001155624541 801024255 /nfs/dbraw/zinc/02/42/55/801024255.db2.gz WGEZZWOYTREJPA-FZMZJTMJSA-N 2 2 292.387 0.569 20 0 CCADLP [NH3+]CCN(CCO)c1cc(N2CCCCC2)[nH+]cn1 ZINC001155952607 801084258 /nfs/dbraw/zinc/08/42/58/801084258.db2.gz LATCNQIVHISBQZ-UHFFFAOYSA-N 2 2 265.361 0.224 20 0 CCADLP C[NH+](C)C1(CNc2cc(C(N)=O)ccn2)CC[NH+](C)CC1 ZINC001156176751 801121644 /nfs/dbraw/zinc/12/16/44/801121644.db2.gz SZLZPYLTXCOHPO-UHFFFAOYSA-N 2 2 291.399 0.618 20 0 CCADLP C[NH+]1CCN(c2cccc(NC3CC(=O)C3)[nH+]2)CC1 ZINC001156616669 801197458 /nfs/dbraw/zinc/19/74/58/801197458.db2.gz OVUNFVDHHRIZFZ-UHFFFAOYSA-N 2 2 260.341 0.977 20 0 CCADLP CC[N@H+](CCCO)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001156624355 801200860 /nfs/dbraw/zinc/20/08/60/801200860.db2.gz WWMSABWEXOYSDE-LLVKDONJSA-N 2 2 282.388 0.470 20 0 CCADLP CC[N@@H+](CCCO)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001156624355 801200865 /nfs/dbraw/zinc/20/08/65/801200865.db2.gz WWMSABWEXOYSDE-LLVKDONJSA-N 2 2 282.388 0.470 20 0 CCADLP CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCCC[NH2+]1 ZINC001157081555 801296315 /nfs/dbraw/zinc/29/63/15/801296315.db2.gz AFLRDFYRSMTFJE-RYUDHWBXSA-N 2 2 294.355 0.142 20 0 CCADLP CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCCC[NH2+]1 ZINC001157081555 801296319 /nfs/dbraw/zinc/29/63/19/801296319.db2.gz AFLRDFYRSMTFJE-RYUDHWBXSA-N 2 2 294.355 0.142 20 0 CCADLP C[NH+]1CCN(C(=O)[C@H]2[NH2+]CCC[C@H]2C(F)(F)F)CC1 ZINC001157451262 801387824 /nfs/dbraw/zinc/38/78/24/801387824.db2.gz RDOQCWRHBSAWKI-ZJUUUORDSA-N 2 2 279.306 0.691 20 0 CCADLP c1c(N[C@@H]2CCC[N@@H+](C3COC3)C2)nnc2c1C[NH2+]CC2 ZINC001157585738 801427811 /nfs/dbraw/zinc/42/78/11/801427811.db2.gz MGVVGQFZUMEIJC-GFCCVEGCSA-N 2 2 289.383 0.397 20 0 CCADLP c1c(N[C@@H]2CCC[N@H+](C3COC3)C2)nnc2c1C[NH2+]CC2 ZINC001157585738 801427817 /nfs/dbraw/zinc/42/78/17/801427817.db2.gz MGVVGQFZUMEIJC-GFCCVEGCSA-N 2 2 289.383 0.397 20 0 CCADLP CN(Cc1cnc(Cl)s1)C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001157853406 801501766 /nfs/dbraw/zinc/50/17/66/801501766.db2.gz BLUBGMFPUCFTND-UHFFFAOYSA-N 2 2 288.804 0.836 20 0 CCADLP CCOC(=O)c1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)nc1 ZINC001157910635 801516909 /nfs/dbraw/zinc/51/69/09/801516909.db2.gz OVLIWCNKCXILRR-UHFFFAOYSA-N 2 2 291.355 0.852 20 0 CCADLP Cc1cnc(NC(=[NH2+])N2CC[NH+](C)CC2)nc1NC1CC1 ZINC001157910617 801517074 /nfs/dbraw/zinc/51/70/74/801517074.db2.gz NUGRORKTLUTFJH-UHFFFAOYSA-N 2 2 289.387 0.953 20 0 CCADLP Cc1cnc2c(ccnc2NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001157916366 801521029 /nfs/dbraw/zinc/52/10/29/801521029.db2.gz VMXJYFTWQBLDPB-UHFFFAOYSA-N 2 2 285.355 0.927 20 0 CCADLP COCCOc1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)nn1 ZINC001157916298 801521398 /nfs/dbraw/zinc/52/13/98/801521398.db2.gz SBHVOIXCPKDQAO-UHFFFAOYSA-N 2 2 294.359 0.096 20 0 CCADLP [NH3+]C1(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)CC[NH2+]CC1 ZINC001157966962 801542948 /nfs/dbraw/zinc/54/29/48/801542948.db2.gz AIYMPPYKYMCWIG-AWEZNQCLSA-N 3 2 288.395 0.240 20 0 CCADLP CN(C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)[C@H]1CC[C@H](O)CC1 ZINC001157989919 801548803 /nfs/dbraw/zinc/54/88/03/801548803.db2.gz VVFOUDRFIKCCCF-DRZSPHRISA-N 2 2 280.372 0.052 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncc(Cl)cc1F ZINC001158203100 801590963 /nfs/dbraw/zinc/59/09/63/801590963.db2.gz FEJCMPVPYRZALQ-MRVPVSSYSA-N 2 2 270.695 0.922 20 0 CCADLP Cc1nc(Cl)nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1C ZINC001158203793 801591457 /nfs/dbraw/zinc/59/14/57/801591457.db2.gz QBMRDIZTLDJIBZ-SECBINFHSA-N 2 2 281.747 0.795 20 0 CCADLP CCN(C)c1cc(C)nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158203314 801592006 /nfs/dbraw/zinc/59/20/06/801592006.db2.gz JVWIAGSYTPOZFA-LLVKDONJSA-N 2 2 290.371 0.289 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncnc2c(F)cccc21 ZINC001158204904 801592368 /nfs/dbraw/zinc/59/23/68/801592368.db2.gz USFGGOVTZWJQPO-SECBINFHSA-N 2 2 287.298 0.817 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncc(C(F)F)cn1 ZINC001158208992 801595535 /nfs/dbraw/zinc/59/55/35/801595535.db2.gz CMWXOLRQSYOHOJ-MRVPVSSYSA-N 2 2 269.255 0.462 20 0 CCADLP Cc1cc(C(C)C)nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158209216 801596121 /nfs/dbraw/zinc/59/61/21/801596121.db2.gz LSOBFJOYACCUHM-LLVKDONJSA-N 2 2 275.356 0.956 20 0 CCADLP COC(=O)[C@@]12CC[NH2+][C@H]1CN(c1cccc(N)[nH+]1)CC2 ZINC001158641145 801677647 /nfs/dbraw/zinc/67/76/47/801677647.db2.gz ZAXDUBIULQJVDB-IINYFYTJSA-N 2 2 276.340 0.395 20 0 CCADLP COC(=O)[C@@]12CC[NH2+][C@@H]1CN(c1cccc(N)[nH+]1)CC2 ZINC001158641146 801677685 /nfs/dbraw/zinc/67/76/85/801677685.db2.gz ZAXDUBIULQJVDB-QMTHXVAHSA-N 2 2 276.340 0.395 20 0 CCADLP C[C@@H](O)C[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001158654401 801678642 /nfs/dbraw/zinc/67/86/42/801678642.db2.gz WZEDVUYETKXLGD-CHWSQXEVSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001158654401 801678644 /nfs/dbraw/zinc/67/86/44/801678644.db2.gz WZEDVUYETKXLGD-CHWSQXEVSA-N 2 2 294.399 0.646 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNc1ccc2c(n1)CC[NH2+]C2 ZINC001158701503 801685515 /nfs/dbraw/zinc/68/55/15/801685515.db2.gz KVSCYJJRWXFPDV-LBPRGKRZSA-N 2 2 262.357 0.470 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNc1ccc2c(n1)CC[NH2+]C2 ZINC001158701503 801685519 /nfs/dbraw/zinc/68/55/19/801685519.db2.gz KVSCYJJRWXFPDV-LBPRGKRZSA-N 2 2 262.357 0.470 20 0 CCADLP CC(C)[N@H+](C)Cc1n[nH]c2c1CCN(C(=O)C1([NH3+])CC1)C2 ZINC001158858591 801715113 /nfs/dbraw/zinc/71/51/13/801715113.db2.gz YSYLLBCOBMQUBR-UHFFFAOYSA-N 2 2 291.399 0.626 20 0 CCADLP CC(C)[N@@H+](C)Cc1n[nH]c2c1CCN(C(=O)C1([NH3+])CC1)C2 ZINC001158858591 801715118 /nfs/dbraw/zinc/71/51/18/801715118.db2.gz YSYLLBCOBMQUBR-UHFFFAOYSA-N 2 2 291.399 0.626 20 0 CCADLP C[C@@H](Nc1ccc(Cn2cncn2)c[nH+]1)[C@H]1C[NH2+]CCO1 ZINC001159501803 801826607 /nfs/dbraw/zinc/82/66/07/801826607.db2.gz JWFLAMYWCVFXSX-DGCLKSJQSA-N 2 2 288.355 0.510 20 0 CCADLP Cn1nccc1C[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159526599 801830574 /nfs/dbraw/zinc/83/05/74/801830574.db2.gz ATLWZQMZTYEXSN-UHFFFAOYSA-N 2 2 290.371 0.372 20 0 CCADLP Cn1nccc1C[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159526599 801830582 /nfs/dbraw/zinc/83/05/82/801830582.db2.gz ATLWZQMZTYEXSN-UHFFFAOYSA-N 2 2 290.371 0.372 20 0 CCADLP Cc1ncoc1C[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159536886 801831489 /nfs/dbraw/zinc/83/14/89/801831489.db2.gz BRVXHOVPEUZDQQ-UHFFFAOYSA-N 2 2 291.355 0.935 20 0 CCADLP Cc1ncoc1C[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159536886 801831496 /nfs/dbraw/zinc/83/14/96/801831496.db2.gz BRVXHOVPEUZDQQ-UHFFFAOYSA-N 2 2 291.355 0.935 20 0 CCADLP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc[nH+]c(CC)n1 ZINC001159755271 801863903 /nfs/dbraw/zinc/86/39/03/801863903.db2.gz OQVRMLGYYKOGHZ-NXEZZACHSA-N 2 2 264.329 0.602 20 0 CCADLP COC(C)(C)[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001160582017 801974283 /nfs/dbraw/zinc/97/42/83/801974283.db2.gz KANZJWBZCBBZDC-RVMXOQNASA-N 2 2 281.400 0.352 20 0 CCADLP C[S@@](=O)CC[C@H]([NH3+])C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001160727065 802011800 /nfs/dbraw/zinc/01/18/00/802011800.db2.gz YPDKKIOCZXUTJL-FKIZINRSSA-N 2 2 298.412 0.143 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NCCC[NH2+]CCF ZINC001160838231 802027280 /nfs/dbraw/zinc/02/72/80/802027280.db2.gz IERNBZXFFWOXDI-UHFFFAOYSA-N 2 2 269.320 0.698 20 0 CCADLP CN(CC/C=C/c1cccnc1)C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001160928912 802047473 /nfs/dbraw/zinc/04/74/73/802047473.db2.gz LIRSLUVLXNNSFC-UUQASAMASA-N 2 2 274.368 0.633 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2C[C@@H]([NH3+])CC(F)(F)C2)cc1 ZINC001160973053 802055729 /nfs/dbraw/zinc/05/57/29/802055729.db2.gz PUFCQCFMYGZMLN-RYUDHWBXSA-N 3 2 298.337 0.454 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2C[C@H]([NH3+])CC(F)(F)C2)cc1 ZINC001160973050 802056151 /nfs/dbraw/zinc/05/61/51/802056151.db2.gz PUFCQCFMYGZMLN-NEPJUHHUSA-N 3 2 298.337 0.454 20 0 CCADLP CN(C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)C1(C)CC[NH2+]CC1 ZINC001161073999 802083064 /nfs/dbraw/zinc/08/30/64/802083064.db2.gz VDVODBQXHRYGIH-AWEZNQCLSA-N 3 2 290.411 0.859 20 0 CCADLP CCN(C(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C1C[NH+](C)C1 ZINC001161138245 802099026 /nfs/dbraw/zinc/09/90/26/802099026.db2.gz QDRDYDMBKCXTAO-HNNXBMFYSA-N 2 2 273.380 0.863 20 0 CCADLP CNC(=O)C[NH+]1CCC(Nc2ccc(Cl)c(N)[nH+]2)CC1 ZINC001161144215 802100844 /nfs/dbraw/zinc/10/08/44/802100844.db2.gz JGYCQRNSQVZBGD-UHFFFAOYSA-N 2 2 297.790 0.940 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001161215002 802109138 /nfs/dbraw/zinc/10/91/38/802109138.db2.gz KDBKNCSMHQUHSC-LBPRGKRZSA-N 2 2 264.373 0.950 20 0 CCADLP Nc1cc(N2CCC([NH3+])(c3cccnc3)CC2)[nH+]cn1 ZINC001161582434 802186199 /nfs/dbraw/zinc/18/61/99/802186199.db2.gz RNFHHGWURWWUPA-UHFFFAOYSA-N 2 2 270.340 0.908 20 0 CCADLP CCOC(=O)c1cncnc1NCC[NH+]1CCC([NH3+])CC1 ZINC001161867614 802233504 /nfs/dbraw/zinc/23/35/04/802233504.db2.gz SRWSQPSNLAQLIE-UHFFFAOYSA-N 2 2 293.371 0.488 20 0 CCADLP COCCOc1cc(N[C@@H](C)CN2CC[NH2+]CC2)cc[nH+]1 ZINC001162098147 802275793 /nfs/dbraw/zinc/27/57/93/802275793.db2.gz GZJBWUKDFCVJGI-ZDUSSCGKSA-N 2 2 294.399 0.812 20 0 CCADLP CC(C)OCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC001278333427 806977598 /nfs/dbraw/zinc/97/75/98/806977598.db2.gz FBURVLCORSJBRP-ZIAGYGMSSA-N 2 2 294.399 0.887 20 0 CCADLP F[C@H]1C[NH2+]CC[C@H]1CNc1cc(N2CCOCC2)nc[nH+]1 ZINC001162801872 802422361 /nfs/dbraw/zinc/42/23/61/802422361.db2.gz ICBHVOIBWPTIFT-RYUDHWBXSA-N 2 2 295.362 0.673 20 0 CCADLP F[C@H]1C[NH2+]CC[C@H]1CNc1cc(N2CCOCC2)[nH+]cn1 ZINC001162801872 802422367 /nfs/dbraw/zinc/42/23/67/802422367.db2.gz ICBHVOIBWPTIFT-RYUDHWBXSA-N 2 2 295.362 0.673 20 0 CCADLP F[C@H]1C[NH2+]CC[C@H]1CNc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001162805015 802423917 /nfs/dbraw/zinc/42/39/17/802423917.db2.gz FJUCPRRIFBJMDK-JSGCOSHPSA-N 3 2 293.390 0.851 20 0 CCADLP CCOC(=O)[C@H]1CCC[C@@H](NC(=[NH2+])N2CC[NH+](C)CC2)C1 ZINC001255344518 808348296 /nfs/dbraw/zinc/34/82/96/808348296.db2.gz OOZWMOJRXAVNMV-QWHCGFSZSA-N 2 2 296.415 0.880 20 0 CCADLP COc1cc[nH+]cc1NCc1nnn2c1C[NH2+]CCC2 ZINC001162972557 802444607 /nfs/dbraw/zinc/44/46/07/802444607.db2.gz XTRSIMWDFOIXLA-UHFFFAOYSA-N 2 2 274.328 0.787 20 0 CCADLP C[C@H]1C[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC(=O)N1 ZINC001255673900 808421962 /nfs/dbraw/zinc/42/19/62/808421962.db2.gz HHAGOFIYMUMFQI-ACJTYDJDSA-N 2 2 251.374 0.822 20 0 CCADLP C[C@H]1C[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC(=O)N1 ZINC001255673900 808421970 /nfs/dbraw/zinc/42/19/70/808421970.db2.gz HHAGOFIYMUMFQI-ACJTYDJDSA-N 2 2 251.374 0.822 20 0 CCADLP C[C@H]1C[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC(=O)N1 ZINC001255673900 808421977 /nfs/dbraw/zinc/42/19/77/808421977.db2.gz HHAGOFIYMUMFQI-ACJTYDJDSA-N 2 2 251.374 0.822 20 0 CCADLP C[C@H]1C[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC(=O)N1 ZINC001255673900 808421984 /nfs/dbraw/zinc/42/19/84/808421984.db2.gz HHAGOFIYMUMFQI-ACJTYDJDSA-N 2 2 251.374 0.822 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)CCc1[nH+]ccn1C ZINC001163050125 802468243 /nfs/dbraw/zinc/46/82/43/802468243.db2.gz AODJLQUSCNUVDI-UHFFFAOYSA-N 2 2 252.362 0.857 20 0 CCADLP Nc1cc(N2CCC(C3=CC=C(N)C[NH2+]3)CC2)[nH+]cn1 ZINC001163133429 802489699 /nfs/dbraw/zinc/48/96/99/802489699.db2.gz HCXLHBAUUIIVIZ-UHFFFAOYSA-N 2 2 272.356 0.605 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCCC[NH2+]CCC ZINC001163274714 802526559 /nfs/dbraw/zinc/52/65/59/802526559.db2.gz DGLYBNSGOCMKTK-CQSZACIVSA-N 2 2 285.432 0.993 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCCC[NH2+]CCC ZINC001163274714 802526565 /nfs/dbraw/zinc/52/65/65/802526565.db2.gz DGLYBNSGOCMKTK-CQSZACIVSA-N 2 2 285.432 0.993 20 0 CCADLP Cc1nc(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)cc(C(C)C)[nH+]1 ZINC001165282306 802812042 /nfs/dbraw/zinc/81/20/42/802812042.db2.gz YFGHAJOGGJCZMJ-DOMZBBRYSA-N 2 2 276.384 0.927 20 0 CCADLP OC[C@@]12C[NH2+]C[C@@H]1CN(c1cccc(C3CC3)[nH+]1)C2 ZINC001165284514 802813910 /nfs/dbraw/zinc/81/39/10/802813910.db2.gz WZWCDHRVLBSLHM-DOMZBBRYSA-N 2 2 259.353 0.977 20 0 CCADLP [NH3+][C@@]12C[C@@H]1CCN(c1cc(N3CCSCC3)[nH+]cn1)C2 ZINC001165329378 802822879 /nfs/dbraw/zinc/82/28/79/802822879.db2.gz MHENRMQOCMSITL-SMDDNHRTSA-N 2 2 291.424 0.957 20 0 CCADLP Cc1[nH+]c2c(n1-c1ncnc3c1[C@@H](C)C(=O)N3)CC[NH2+]CC2 ZINC001165352573 802826462 /nfs/dbraw/zinc/82/64/62/802826462.db2.gz CSNQQXSNPKXUDY-MRVPVSSYSA-N 2 2 298.350 0.715 20 0 CCADLP C[C@H](O)C[NH2+]CC1(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001166474092 802907848 /nfs/dbraw/zinc/90/78/48/802907848.db2.gz JHRLUQHCVZQNPM-ZDUSSCGKSA-N 2 2 294.399 0.530 20 0 CCADLP CS(=O)(=O)Nc1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC001204675460 812355881 /nfs/dbraw/zinc/35/58/81/812355881.db2.gz OTXFFLWBFWCYAF-UHFFFAOYSA-N 2 2 283.397 0.853 20 0 CCADLP CS(=O)(=O)Nc1ccc(C[N@H+]2CCC[NH2+]CC2)cc1 ZINC001204675460 812355891 /nfs/dbraw/zinc/35/58/91/812355891.db2.gz OTXFFLWBFWCYAF-UHFFFAOYSA-N 2 2 283.397 0.853 20 0 CCADLP COC[C@H](C)[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001204083337 803064642 /nfs/dbraw/zinc/06/46/42/803064642.db2.gz GSIXBOCTPGRZMI-LBPRGKRZSA-N 2 2 280.372 0.499 20 0 CCADLP CCOC(=O)c1c(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cnn1C ZINC001205136309 803119925 /nfs/dbraw/zinc/11/99/25/803119925.db2.gz XFNGOEHPYRZAHD-WDEREUQCSA-N 2 2 280.372 0.623 20 0 CCADLP CCOC(=O)c1c(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cnn1C ZINC001205136309 803119930 /nfs/dbraw/zinc/11/99/30/803119930.db2.gz XFNGOEHPYRZAHD-WDEREUQCSA-N 2 2 280.372 0.623 20 0 CCADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(NS(C)(=O)=O)cc1 ZINC001205197589 803125150 /nfs/dbraw/zinc/12/51/50/803125150.db2.gz TZZXIGJOEUAMLB-ZWNOBZJWSA-N 2 2 283.397 0.980 20 0 CCADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(NS(C)(=O)=O)cc1 ZINC001205197589 803125153 /nfs/dbraw/zinc/12/51/53/803125153.db2.gz TZZXIGJOEUAMLB-ZWNOBZJWSA-N 2 2 283.397 0.980 20 0 CCADLP [NH3+]C[C@]1(F)CCC[N@H+](Cc2cnc3n2CC[NH2+]C3)CC1 ZINC001205591658 803149445 /nfs/dbraw/zinc/14/94/45/803149445.db2.gz NSHITMGJAFNUKU-AWEZNQCLSA-N 3 2 281.379 0.639 20 0 CCADLP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cnc3n2CC[NH2+]C3)CC1 ZINC001205591658 803149452 /nfs/dbraw/zinc/14/94/52/803149452.db2.gz NSHITMGJAFNUKU-AWEZNQCLSA-N 3 2 281.379 0.639 20 0 CCADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205664956 803153042 /nfs/dbraw/zinc/15/30/42/803153042.db2.gz PVSAKMWQPPYRNK-AGIUHOORSA-N 3 2 291.386 0.653 20 0 CCADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205664956 803153045 /nfs/dbraw/zinc/15/30/45/803153045.db2.gz PVSAKMWQPPYRNK-AGIUHOORSA-N 3 2 291.386 0.653 20 0 CCADLP N[C@]1(C(F)(F)F)CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC001206209509 803214989 /nfs/dbraw/zinc/21/49/89/803214989.db2.gz GAVJIMQSZMXZKS-VHSXEESVSA-N 2 2 251.296 0.952 20 0 CCADLP N[C@]1(C(F)(F)F)CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC001206209509 803214994 /nfs/dbraw/zinc/21/49/94/803214994.db2.gz GAVJIMQSZMXZKS-VHSXEESVSA-N 2 2 251.296 0.952 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cn2)C[C@H]1O ZINC001206467900 803246159 /nfs/dbraw/zinc/24/61/59/803246159.db2.gz DEDJUZDUVJAEAU-GZMMTYOYSA-N 2 2 275.274 0.852 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cn2)C[C@H]1O ZINC001206467900 803246166 /nfs/dbraw/zinc/24/61/66/803246166.db2.gz DEDJUZDUVJAEAU-GZMMTYOYSA-N 2 2 275.274 0.852 20 0 CCADLP COc1cc(F)ccc1C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206524963 803260624 /nfs/dbraw/zinc/26/06/24/803260624.db2.gz CSCGHKAJMNZNGC-JQWIXIFHSA-N 2 2 254.305 0.586 20 0 CCADLP COc1cc(F)ccc1C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206524963 803260628 /nfs/dbraw/zinc/26/06/28/803260628.db2.gz CSCGHKAJMNZNGC-JQWIXIFHSA-N 2 2 254.305 0.586 20 0 CCADLP CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1c[nH+]c(C)n1C)C2 ZINC001206792693 803288271 /nfs/dbraw/zinc/28/82/71/803288271.db2.gz MGTYFKWTKSIDIT-UKRRQHHQSA-N 2 2 292.383 0.456 20 0 CCADLP CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1c[nH+]c(C)n1C)C2 ZINC001206792693 803288277 /nfs/dbraw/zinc/28/82/77/803288277.db2.gz MGTYFKWTKSIDIT-UKRRQHHQSA-N 2 2 292.383 0.456 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001207453786 803404090 /nfs/dbraw/zinc/40/40/90/803404090.db2.gz MHWWCQVJYVGHKV-NQBHXWOUSA-N 2 2 280.372 0.160 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001207453786 803404095 /nfs/dbraw/zinc/40/40/95/803404095.db2.gz MHWWCQVJYVGHKV-NQBHXWOUSA-N 2 2 280.372 0.160 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001207453786 803404100 /nfs/dbraw/zinc/40/41/00/803404100.db2.gz MHWWCQVJYVGHKV-NQBHXWOUSA-N 2 2 280.372 0.160 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001207453786 803404106 /nfs/dbraw/zinc/40/41/06/803404106.db2.gz MHWWCQVJYVGHKV-NQBHXWOUSA-N 2 2 280.372 0.160 20 0 CCADLP C[C@@H]1C[N@H+](Cc2cnns2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208494031 803518764 /nfs/dbraw/zinc/51/87/64/803518764.db2.gz BOHBGSMXSMXUEZ-ZYHUDNBSSA-N 2 2 297.428 0.426 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2cnns2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208494031 803518766 /nfs/dbraw/zinc/51/87/66/803518766.db2.gz BOHBGSMXSMXUEZ-ZYHUDNBSSA-N 2 2 297.428 0.426 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCC[C@H]([NH2+]CCCO)C1 ZINC001208849077 803549723 /nfs/dbraw/zinc/54/97/23/803549723.db2.gz PGBCZJBORUYUDW-ZDUSSCGKSA-N 2 2 280.372 0.236 20 0 CCADLP COCCCC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209836735 803631919 /nfs/dbraw/zinc/63/19/19/803631919.db2.gz MPPRPDOHDBUIAX-CYBMUJFWSA-N 2 2 294.399 0.959 20 0 CCADLP COCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001211452004 803681858 /nfs/dbraw/zinc/68/18/58/803681858.db2.gz OBHTZJUNCBOABQ-CHWSQXEVSA-N 2 2 280.372 0.356 20 0 CCADLP COCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001211452004 803681861 /nfs/dbraw/zinc/68/18/61/803681861.db2.gz OBHTZJUNCBOABQ-CHWSQXEVSA-N 2 2 280.372 0.356 20 0 CCADLP Nc1cc[nH+]cc1C[N@@H+]1CC[C@H]2CN(Cc3cn[nH]c3)C[C@H]21 ZINC001276713059 803754314 /nfs/dbraw/zinc/75/43/14/803754314.db2.gz FSVPKVHNBVQSCO-XJKSGUPXSA-N 2 2 298.394 0.924 20 0 CCADLP Nc1cc[nH+]cc1C[N@H+]1CC[C@H]2CN(Cc3cn[nH]c3)C[C@H]21 ZINC001276713059 803754320 /nfs/dbraw/zinc/75/43/20/803754320.db2.gz FSVPKVHNBVQSCO-XJKSGUPXSA-N 2 2 298.394 0.924 20 0 CCADLP C[C@@H](O)CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215680548 803823480 /nfs/dbraw/zinc/82/34/80/803823480.db2.gz AYFIKMCFLIHYDK-YRGRVCCFSA-N 2 2 294.399 0.550 20 0 CCADLP CC1(C)[NH2+][C@H](CO[C@@H]2CC[NH2+]CC2(F)F)CO1 ZINC001217784042 803913488 /nfs/dbraw/zinc/91/34/88/803913488.db2.gz XYALSAUXDGKFQA-RKDXNWHRSA-N 2 2 250.289 0.725 20 0 CCADLP C[C@H]1C[NH+](CCc2nnc(C(C)(C)[NH3+])o2)C[C@H](C)O1 ZINC001217697031 803901864 /nfs/dbraw/zinc/90/18/64/803901864.db2.gz SZNGGKNFZDBXGU-UWVGGRQHSA-N 2 2 268.361 0.915 20 0 CCADLP COc1cc(OC)cc(-c2nnc(C[C@@H]([NH3+])C[NH3+])o2)c1 ZINC001217726689 803905568 /nfs/dbraw/zinc/90/55/68/803905568.db2.gz JTNFDUNSIXUSIS-SECBINFHSA-N 2 2 278.312 0.582 20 0 CCADLP COc1cccc(-c2nnc([C@H]3C[NH2+]C[C@@H]3[NH3+])o2)c1 ZINC001217743074 803910304 /nfs/dbraw/zinc/91/03/04/803910304.db2.gz CEWCQDSQZPCIAV-QWRGUYRKSA-N 2 2 260.297 0.759 20 0 CCADLP CC1(C)[NH2+][C@@H](CO[C@@H]2CC[NH2+]CC2(F)F)CO1 ZINC001217784040 803913526 /nfs/dbraw/zinc/91/35/26/803913526.db2.gz XYALSAUXDGKFQA-DTWKUNHWSA-N 2 2 250.289 0.725 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OCc2ccc3c(c2)CC[NH2+]C3)C[NH2+]1 ZINC001217823380 803917186 /nfs/dbraw/zinc/91/71/86/803917186.db2.gz UVRKHTYLCKNJAK-CABCVRRESA-N 2 2 290.363 0.752 20 0 CCADLP CC[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1[NH2+]CCCO ZINC001276764235 803926149 /nfs/dbraw/zinc/92/61/49/803926149.db2.gz YQSDRNGVCPIUMV-QWHCGFSZSA-N 2 2 294.399 0.551 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1nc2ccc(F)cc2o1 ZINC001218497415 803962239 /nfs/dbraw/zinc/96/22/39/803962239.db2.gz LWENMCMRRQCULF-ZETCQYMHSA-N 2 2 252.249 0.582 20 0 CCADLP Cc1cnc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)nc1C ZINC001218497751 803964560 /nfs/dbraw/zinc/96/45/60/803964560.db2.gz UDICDMCJOIGTGV-BREBYQMCSA-N 2 2 261.329 0.254 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccncc1C(F)(F)F ZINC001218497776 803964836 /nfs/dbraw/zinc/96/48/36/803964836.db2.gz NBCHRAQPSDTYGZ-ZETCQYMHSA-N 2 2 262.235 0.137 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccnc1-n1cccn1 ZINC001218504744 803971637 /nfs/dbraw/zinc/97/16/37/803971637.db2.gz WZPVMNKSZYVNNN-NSHDSACASA-N 2 2 297.322 0.499 20 0 CCADLP COc1ccc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)c(C)n1 ZINC001218538875 803994206 /nfs/dbraw/zinc/99/42/06/803994206.db2.gz STTSDIMDABQSPH-NSHDSACASA-N 2 2 289.339 0.641 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cccc(C(F)(F)F)n2)C1 ZINC001218540415 803994403 /nfs/dbraw/zinc/99/44/03/803994403.db2.gz XLQZGKZAKLNHEA-RQJHMYQMSA-N 2 2 274.246 0.728 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1ncccc1O ZINC001218540151 803994466 /nfs/dbraw/zinc/99/44/66/803994466.db2.gz UXLZMDWLCVVPBR-UHFFFAOYSA-N 2 2 250.302 0.067 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ncnc2[nH]ccc21 ZINC001218558755 804006272 /nfs/dbraw/zinc/00/62/72/804006272.db2.gz ILFPBMOWWABSHY-SECBINFHSA-N 2 2 271.284 0.190 20 0 CCADLP CN(C(=O)[C@@H]([NH3+])CC[NH3+])c1ncc(C(F)(F)F)cc1N ZINC001218588234 804023022 /nfs/dbraw/zinc/02/30/22/804023022.db2.gz QOVYRAPYVWAZMH-ZETCQYMHSA-N 2 2 291.277 0.322 20 0 CCADLP O=C(C[C@@H]1COCC[NH2+]1)Nc1cc[nH+]c2c1CCC2 ZINC001218621267 804038312 /nfs/dbraw/zinc/03/83/12/804038312.db2.gz PSCGVYSGINFRTL-SNVBAGLBSA-N 2 2 261.325 0.309 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1nccc2cnccc21 ZINC001218636957 804051948 /nfs/dbraw/zinc/05/19/48/804051948.db2.gz CTDYZIQWIDNNLK-QWRGUYRKSA-N 2 2 257.297 0.115 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccc(C(F)F)nc2)C1 ZINC001218655711 804066711 /nfs/dbraw/zinc/06/67/11/804066711.db2.gz HZUKBOKHHQAMKL-MUWHJKNJSA-N 2 2 256.256 0.647 20 0 CCADLP Cc1nnc2cc(NC(=O)C3([NH3+])CC[NH2+]CC3)ccn12 ZINC001218699662 804085579 /nfs/dbraw/zinc/08/55/79/804085579.db2.gz OCEVBTRLDJOFQN-UHFFFAOYSA-N 2 2 274.328 0.057 20 0 CCADLP COc1ccccc1-n1nccc1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218727048 804099157 /nfs/dbraw/zinc/09/91/57/804099157.db2.gz CCCSRHJPUNMTRF-JTQLQIEISA-N 2 2 289.339 0.496 20 0 CCADLP [NH3+]C1(C(=O)Nc2ccnn2CC(F)(F)F)CC[NH2+]CC1 ZINC001218751229 804109465 /nfs/dbraw/zinc/10/94/65/804109465.db2.gz DNPWPPULOAGLSQ-UHFFFAOYSA-N 2 2 291.277 0.465 20 0 CCADLP COc1cc(OC)c(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)cn1 ZINC001218759013 804112980 /nfs/dbraw/zinc/11/29/80/804112980.db2.gz DWDIENMXKMNSPK-VIFPVBQESA-N 2 2 291.311 0.330 20 0 CCADLP COc1cc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c(C)cn1 ZINC001218792361 804122531 /nfs/dbraw/zinc/12/25/31/804122531.db2.gz YQWYWAXHBJYGMB-SCZZXKLOSA-N 2 2 250.302 0.026 20 0 CCADLP Cc1ccc(NC(=O)C[NH2+]C2CC[NH2+]CC2)cc1O ZINC001218897336 804148957 /nfs/dbraw/zinc/14/89/57/804148957.db2.gz JGGURCDXWYUWRB-UHFFFAOYSA-N 2 2 263.341 0.981 20 0 CCADLP Cc1cc(Cl)c(NC(=O)[C@@H]([NH3+])CC[NH3+])cc1O ZINC001219033021 804183847 /nfs/dbraw/zinc/18/38/47/804183847.db2.gz COAAYUNHKISRIP-QMMMGPOBSA-N 2 2 257.721 0.969 20 0 CCADLP O=C(Nc1cccc(N2CC[NH2+]CC2)c1)[C@@H]1COCC[NH2+]1 ZINC001219118882 804207954 /nfs/dbraw/zinc/20/79/54/804207954.db2.gz QUQLQUBXGNLIGG-AWEZNQCLSA-N 2 2 290.367 0.023 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccc(Cl)c3nsnc32)C1 ZINC001219166550 804224382 /nfs/dbraw/zinc/22/43/82/804224382.db2.gz WSAUSEJSLWSDJU-XRGYYRRGSA-N 2 2 297.771 0.972 20 0 CCADLP COC(=O)c1cc(C)c(C)c(NC(=O)[C@@H]([NH3+])CC[NH3+])c1 ZINC001219402261 804299952 /nfs/dbraw/zinc/29/99/52/804299952.db2.gz FZHNDJHFTJKPFJ-NSHDSACASA-N 2 2 279.340 0.705 20 0 CCADLP O=C(Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2)[C@@H]1COCC[NH2+]1 ZINC001219537663 804340090 /nfs/dbraw/zinc/34/00/90/804340090.db2.gz OOFNSCCODVUJOB-GAFUQQFSSA-N 2 2 289.335 0.061 20 0 CCADLP O=C(NCc1ccc2c(c1)CCC2)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219571839 804355530 /nfs/dbraw/zinc/35/55/30/804355530.db2.gz RIBIOCZDEIPCBF-WBVHZDCISA-N 2 2 285.391 0.743 20 0 CCADLP C[C@H]1C[NH2+]C[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001219637653 804385867 /nfs/dbraw/zinc/38/58/67/804385867.db2.gz GCHDHJGKCLZUMQ-NEPJUHHUSA-N 2 2 250.346 0.635 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)c2ccccc2C[NH3+])C1 ZINC001219695152 804405925 /nfs/dbraw/zinc/40/59/25/804405925.db2.gz QKKWDBLGPDJBPA-LBPRGKRZSA-N 2 2 263.341 0.206 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)c2ccccc2C[NH3+])C1 ZINC001219695152 804405929 /nfs/dbraw/zinc/40/59/29/804405929.db2.gz QKKWDBLGPDJBPA-LBPRGKRZSA-N 2 2 263.341 0.206 20 0 CCADLP Cc1ccc(CCNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)c(C)c1 ZINC001219907857 804445157 /nfs/dbraw/zinc/44/51/57/804445157.db2.gz HNZXZBFKICNRSV-WBVHZDCISA-N 2 2 287.407 0.914 20 0 CCADLP N=C(NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C12CC3CC(CC(C3)C1)C2 ZINC001219921391 804448586 /nfs/dbraw/zinc/44/85/86/804448586.db2.gz SQJGNCTWTCLWGM-OGBXBBOSSA-N 2 2 290.411 0.843 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@@H](c2ccccc2)c2ccncc2)C1 ZINC001219947767 804454452 /nfs/dbraw/zinc/45/44/52/804454452.db2.gz FIXWNTAMTHLESP-PMPSAXMXSA-N 2 2 296.374 0.976 20 0 CCADLP Cc1c[nH]c(CCNC(=O)[C@@H]([NH3+])CCCC[NH2+]C(C)C)[nH+]1 ZINC001219952474 804456417 /nfs/dbraw/zinc/45/64/17/804456417.db2.gz VRFOIUSMZXXDMB-ZDUSSCGKSA-N 3 2 295.431 0.872 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC001219999219 804468142 /nfs/dbraw/zinc/46/81/42/804468142.db2.gz NMCWQJJJIYBFOW-LSDHHAIUSA-N 3 2 290.411 0.616 20 0 CCADLP NC(=[NH2+])N(C(=O)[C@@H]([NH3+])CSCC[NH3+])c1ccccc1F ZINC001220106159 804501959 /nfs/dbraw/zinc/50/19/59/804501959.db2.gz CSMKSSGMOHSBGI-VIFPVBQESA-N 3 2 299.375 0.071 20 0 CCADLP NC(=[NH2+])N(C(=O)[C@@H](N)CSCC[NH3+])c1ccccc1F ZINC001220106159 804501963 /nfs/dbraw/zinc/50/19/63/804501963.db2.gz CSMKSSGMOHSBGI-VIFPVBQESA-N 2 2 299.375 0.071 20 0 CCADLP CO[C@@H]1COCC[C@H]1NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220141765 804511705 /nfs/dbraw/zinc/51/17/05/804511705.db2.gz UZTYTCBPYWBJEQ-BFHYXJOUSA-N 2 2 293.367 0.179 20 0 CCADLP Cn1cc2cccc(CNC(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)c2n1 ZINC001220143641 804513440 /nfs/dbraw/zinc/51/34/40/804513440.db2.gz PQZMCLVEMUNWDX-IOASZLSFSA-N 2 2 299.378 0.411 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NCc2cn[nH]c2)cc1 ZINC001220150290 804516469 /nfs/dbraw/zinc/51/64/69/804516469.db2.gz XMWUVWZKULJSSG-GFCCVEGCSA-N 2 2 259.313 0.298 20 0 CCADLP O=C(C=C1CC[NH2+]CC1)NC[C@@H]1CC[NH2+]CC1(F)F ZINC001220188356 804532459 /nfs/dbraw/zinc/53/24/59/804532459.db2.gz ARVLJVJQWOXUGS-NSHDSACASA-N 2 2 273.327 0.657 20 0 CCADLP C=Cc1ccc(CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)cc1 ZINC001220218976 804540996 /nfs/dbraw/zinc/54/09/96/804540996.db2.gz LYCWXPQTSLZUAA-SOUVJXGZSA-N 2 2 271.364 0.896 20 0 CCADLP Cc1[nH+]c[nH]c1CSCCNC(=O)[C@@H](C)C[NH3+] ZINC001220257067 804553705 /nfs/dbraw/zinc/55/37/05/804553705.db2.gz MRYZDKRZAKRQHJ-QMMMGPOBSA-N 2 2 256.375 0.662 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)C1CC2(C[NH2+]C2)C1 ZINC001220274498 804558137 /nfs/dbraw/zinc/55/81/37/804558137.db2.gz FMDWCQXPLISQMU-UHFFFAOYSA-N 2 2 278.356 0.145 20 0 CCADLP COc1ccc(CCNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)nc1 ZINC001220396913 804595945 /nfs/dbraw/zinc/59/59/45/804595945.db2.gz QHNPGCWHXOQLRK-ZDUSSCGKSA-N 2 2 289.339 0.042 20 0 CCADLP C[C@H](CC(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O)n1cc[nH+]c1 ZINC001220441933 804605138 /nfs/dbraw/zinc/60/51/38/804605138.db2.gz SOAQAQCEYORXTM-UPJWGTAASA-N 2 2 298.362 0.355 20 0 CCADLP C[C@H](CC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O)n1cc[nH+]c1 ZINC001220441933 804605145 /nfs/dbraw/zinc/60/51/45/804605145.db2.gz SOAQAQCEYORXTM-UPJWGTAASA-N 2 2 298.362 0.355 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC001220469459 804612170 /nfs/dbraw/zinc/61/21/70/804612170.db2.gz ZGDPNQCGDCOMSO-XQHKEYJVSA-N 2 2 263.316 0.487 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCOc1ccccc1 ZINC001220563534 804624330 /nfs/dbraw/zinc/62/43/30/804624330.db2.gz XCJKUDCWZITQNI-GFCCVEGCSA-N 2 2 260.297 0.432 20 0 CCADLP O=C(NCc1cccc2cc[nH]c21)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220714520 804655214 /nfs/dbraw/zinc/65/52/14/804655214.db2.gz OMKDIUIVQZRAEY-CZUORRHYSA-N 2 2 284.363 0.736 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2cccc3cc[nH]c32)C1 ZINC001220714426 804655232 /nfs/dbraw/zinc/65/52/32/804655232.db2.gz LKLBZBAYYPOCCW-NEPJUHHUSA-N 2 2 258.325 0.473 20 0 CCADLP O=C(NC1CC2(C1)CC(F)(F)C2)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220736480 804657728 /nfs/dbraw/zinc/65/77/28/804657728.db2.gz LRJJOGZJVVAGRZ-OTYXRUKQSA-N 2 2 285.338 0.632 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C(F)(F)F)CC1 ZINC001220838133 804678256 /nfs/dbraw/zinc/67/82/56/804678256.db2.gz AYZGUYYGIDXYBP-SSDOTTSWSA-N 2 2 262.235 0.491 20 0 CCADLP Cc1noc2ccc(CNC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)cc12 ZINC001220847149 804679965 /nfs/dbraw/zinc/67/99/65/804679965.db2.gz PJVOAIPQLFBWKO-PWSUYJOCSA-N 2 2 274.324 0.442 20 0 CCADLP COCc1ccc(CNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)cc1 ZINC001220934805 804703579 /nfs/dbraw/zinc/70/35/79/804703579.db2.gz WUNYEOJFHMXFIG-HOCLYGCPSA-N 2 2 289.379 0.401 20 0 CCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001220934779 804703616 /nfs/dbraw/zinc/70/36/16/804703616.db2.gz VZKJRFSYKZBUOC-XQQFMLRXSA-N 2 2 292.358 0.867 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1COc2ccc(Cl)cc21 ZINC001220958480 804707988 /nfs/dbraw/zinc/70/79/88/804707988.db2.gz MYFGNNYULDMDNR-DCAQKATOSA-N 2 2 281.743 0.436 20 0 CCADLP CC(C)CC1(NC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CCOCC1 ZINC001221000926 804715334 /nfs/dbraw/zinc/71/53/34/804715334.db2.gz HUBOEZLLXBRKCJ-CJNGLKHVSA-N 2 2 295.427 0.649 20 0 CCADLP COc1cccc(C(C)(C)CNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])n1 ZINC001220997035 804715413 /nfs/dbraw/zinc/71/54/13/804715413.db2.gz SMZBTGYYGWATSP-QWRGUYRKSA-N 2 2 292.383 0.031 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001221161266 804737571 /nfs/dbraw/zinc/73/75/71/804737571.db2.gz DLRAJVXSQKSEGO-KGLIPLIRSA-N 2 2 292.383 0.235 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001221161266 804737576 /nfs/dbraw/zinc/73/75/76/804737576.db2.gz DLRAJVXSQKSEGO-KGLIPLIRSA-N 2 2 292.383 0.235 20 0 CCADLP CC(C)(CNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)CC(F)(F)F ZINC001221218694 804748757 /nfs/dbraw/zinc/74/87/57/804748757.db2.gz CVVGTFCVDYZJEJ-SFYZADRCSA-N 2 2 267.295 0.770 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1CCOc2c(F)cc(F)cc21 ZINC001221260938 804760483 /nfs/dbraw/zinc/76/04/83/804760483.db2.gz YWGJNNWPHWDOJK-ZMLRMANQSA-N 2 2 297.305 0.451 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2F)cc1 ZINC001221369462 804789851 /nfs/dbraw/zinc/78/98/51/804789851.db2.gz KXALZMKNOZDEKD-FRRDWIJNSA-N 3 2 280.347 0.075 20 0 CCADLP CCCC(C[NH3+])(CCC)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001221371997 804791819 /nfs/dbraw/zinc/79/18/19/804791819.db2.gz JURCXTXISCSNIF-GFCCVEGCSA-N 2 2 271.405 0.731 20 0 CCADLP CCCC(C[NH3+])(CCC)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001221371997 804791824 /nfs/dbraw/zinc/79/18/24/804791824.db2.gz JURCXTXISCSNIF-GFCCVEGCSA-N 2 2 271.405 0.731 20 0 CCADLP [NH3+]CCCC[C@H]([NH3+])C(=O)NCCOc1cc[nH+]cc1 ZINC001221394319 804801057 /nfs/dbraw/zinc/80/10/57/804801057.db2.gz ZULJURAECCSNDP-LBPRGKRZSA-N 3 2 266.345 0.033 20 0 CCADLP C[NH+](C)CC1CCC(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC1 ZINC001221402258 804804396 /nfs/dbraw/zinc/80/43/96/804804396.db2.gz BBEYJWVGLDXOBD-IUNJVKSLSA-N 3 2 294.443 0.445 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)[C@H](C)C1 ZINC001221407402 804807792 /nfs/dbraw/zinc/80/77/92/804807792.db2.gz LOSGXZGPRIXLRT-SSZWKKLZSA-N 3 2 294.443 0.443 20 0 CCADLP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)[C@H](C)C1 ZINC001221407402 804807800 /nfs/dbraw/zinc/80/78/00/804807800.db2.gz LOSGXZGPRIXLRT-SSZWKKLZSA-N 3 2 294.443 0.443 20 0 CCADLP O=C(N[C@@H](C1CCC1)C1C[NH2+]C1)[C@H]1C[NH2+]CC(F)(F)C1 ZINC001221409056 804809697 /nfs/dbraw/zinc/80/96/97/804809697.db2.gz MAFACVGOVGCXDL-PWSUYJOCSA-N 2 2 287.354 0.736 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)[C@H](C)C1 ZINC001221409495 804810156 /nfs/dbraw/zinc/81/01/56/804810156.db2.gz UPJDBHJRXZPCHQ-ORIJERBGSA-N 3 2 294.443 0.173 20 0 CCADLP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)[C@H](C)C1 ZINC001221409495 804810166 /nfs/dbraw/zinc/81/01/66/804810166.db2.gz UPJDBHJRXZPCHQ-ORIJERBGSA-N 3 2 294.443 0.173 20 0 CCADLP CC[C@@H](C[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)OC ZINC001222099655 804867757 /nfs/dbraw/zinc/86/77/57/804867757.db2.gz ZQULJFKRWGGQAG-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP CCOCC[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222097489 804867771 /nfs/dbraw/zinc/86/77/71/804867771.db2.gz BJPROLUPPRSOMO-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP CCOC(=O)c1n[nH]cc1C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222537425 804913222 /nfs/dbraw/zinc/91/32/22/804913222.db2.gz BRLRDXFTTZTWBM-UHFFFAOYSA-N 2 2 284.335 0.849 20 0 CCADLP COC[C@@H](C)[NH+]1CCC(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001224672915 805067143 /nfs/dbraw/zinc/06/71/43/805067143.db2.gz NYENQNPKCQKFMM-GFCCVEGCSA-N 2 2 294.399 0.815 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC1CC[NH+](CCF)CC1 ZINC001224673083 805068249 /nfs/dbraw/zinc/06/82/49/805068249.db2.gz RNQOIYSECFCSNG-UHFFFAOYSA-N 2 2 268.336 0.750 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001226696452 805268115 /nfs/dbraw/zinc/26/81/15/805268115.db2.gz HVQXXNPFCLFCBI-MRVWCRGKSA-N 2 2 294.399 0.740 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001226696452 805268125 /nfs/dbraw/zinc/26/81/25/805268125.db2.gz HVQXXNPFCLFCBI-MRVWCRGKSA-N 2 2 294.399 0.740 20 0 CCADLP COCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001229301439 805517838 /nfs/dbraw/zinc/51/78/38/805517838.db2.gz QXKTWJMSQPICIP-VXGBXAGGSA-N 2 2 280.372 0.616 20 0 CCADLP O[C@@H](C[NH2+][C@H]1CC12C[NH2+]C2)c1ccc(F)c(F)c1 ZINC001246008949 807114407 /nfs/dbraw/zinc/11/44/07/807114407.db2.gz ICHAEWMULAWFEU-RYUDHWBXSA-N 2 2 254.280 0.950 20 0 CCADLP C[C@](O)(CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21)c1ccccc1 ZINC001246021830 807120158 /nfs/dbraw/zinc/12/01/58/807120158.db2.gz HRXAWAYEUVJECM-ULQDDVLXSA-N 2 2 289.423 0.920 20 0 CCADLP COc1cccc([C@@H](O)C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1 ZINC001246022360 807121859 /nfs/dbraw/zinc/12/18/59/807121859.db2.gz NPVOXXNOJOGYEB-HZSPNIEDSA-N 2 2 266.341 0.123 20 0 CCADLP COc1cccc([C@@H](O)C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1 ZINC001246022360 807121862 /nfs/dbraw/zinc/12/18/62/807121862.db2.gz NPVOXXNOJOGYEB-HZSPNIEDSA-N 2 2 266.341 0.123 20 0 CCADLP O[C@H](C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC001246028982 807124691 /nfs/dbraw/zinc/12/46/91/807124691.db2.gz VBGFHYQHDMAPOT-CABCVRRESA-N 2 2 261.369 0.357 20 0 CCADLP O[C@H](C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC001246028982 807124700 /nfs/dbraw/zinc/12/47/00/807124700.db2.gz VBGFHYQHDMAPOT-CABCVRRESA-N 2 2 261.369 0.357 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCF)CN1C(=O)CCc1c[nH+]cn1C ZINC000989736368 815091691 /nfs/dbraw/zinc/09/16/91/815091691.db2.gz NVZFCTDFIHSKMO-NEPJUHHUSA-N 2 2 282.363 0.901 20 0 CCADLP C[C@@](O)(C[NH+]1CC(C)(C[NH3+])C1)C(=O)OCc1ccccc1 ZINC001246032300 807126864 /nfs/dbraw/zinc/12/68/64/807126864.db2.gz JZGZTRQEDJJPMB-MRXNPFEDSA-N 2 2 292.379 0.761 20 0 CCADLP COc1ccccc1OC[C@H](O)C[N@H+](C)C[C@H](C)[NH3+] ZINC001246055316 807135402 /nfs/dbraw/zinc/13/54/02/807135402.db2.gz ADXJHPBMNHOCQB-NWDGAFQWSA-N 2 2 268.357 0.714 20 0 CCADLP COc1ccccc1OC[C@H](O)C[N@@H+](C)C[C@H](C)[NH3+] ZINC001246055316 807135405 /nfs/dbraw/zinc/13/54/05/807135405.db2.gz ADXJHPBMNHOCQB-NWDGAFQWSA-N 2 2 268.357 0.714 20 0 CCADLP [NH3+]C[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(CCO)cc1 ZINC001246059400 807137296 /nfs/dbraw/zinc/13/72/96/807137296.db2.gz AEUDTJDRQGPGQC-CABCVRRESA-N 2 2 294.395 0.384 20 0 CCADLP [NH3+]C[C@H]1CCC[N@H+]1C[C@H](O)COc1ccc(CCO)cc1 ZINC001246059400 807137299 /nfs/dbraw/zinc/13/72/99/807137299.db2.gz AEUDTJDRQGPGQC-CABCVRRESA-N 2 2 294.395 0.384 20 0 CCADLP F[C@@H]1C[NH2+]CC[C@H]1[NH2+]C1CCC2(CC1)C[NH2+]CCO2 ZINC001246078314 807144150 /nfs/dbraw/zinc/14/41/50/807144150.db2.gz AJENUJKAETUOSJ-CEUNDQEZSA-N 3 2 271.380 0.577 20 0 CCADLP F[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCN[C@@H](C(F)(F)F)C1 ZINC001246078247 807144510 /nfs/dbraw/zinc/14/45/10/807144510.db2.gz AETDHMHHYNRGDO-QCLAVDOMSA-N 2 2 269.286 0.959 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N[C@H]2CCCC[NH2+]C2)C[NH2+]1 ZINC001246092547 807151515 /nfs/dbraw/zinc/15/15/15/807151515.db2.gz SOYZKWSMQKQANV-XQQFMLRXSA-N 2 2 283.416 0.790 20 0 CCADLP C[C@H]1[NH2+]CC[C@H]1N[C@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246101035 807153650 /nfs/dbraw/zinc/15/36/50/807153650.db2.gz IORICHXHHPKOOY-KKOKHZNYSA-N 2 2 269.389 0.399 20 0 CCADLP CCOC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)CO1 ZINC001246119948 807160183 /nfs/dbraw/zinc/16/01/83/807160183.db2.gz YEVRJLZQUCSMHV-FDYHWXHSSA-N 2 2 270.373 0.685 20 0 CCADLP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H]1C[NH2+]CC12CC2 ZINC001246132129 807162181 /nfs/dbraw/zinc/16/21/81/807162181.db2.gz LBVGZRKHISYEJM-VXGBXAGGSA-N 2 2 253.390 0.975 20 0 CCADLP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246132126 807162981 /nfs/dbraw/zinc/16/29/81/807162981.db2.gz LBVGZRKHISYEJM-RYUDHWBXSA-N 2 2 253.390 0.975 20 0 CCADLP C[C@H]1CC[C@H]([NH2+]C[C@@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)C[NH2+]1 ZINC001246143275 807166313 /nfs/dbraw/zinc/16/63/13/807166313.db2.gz PQJYKNDHJXEUAP-PEDHHIEDSA-N 3 2 253.390 0.341 20 0 CCADLP CCOC(=O)CC[C@@H](C)[NH2+][C@@H](CCCC[NH3+])C(=O)OC ZINC001246151606 807168732 /nfs/dbraw/zinc/16/87/32/807168732.db2.gz JWYBVZNSOFDFQL-NEPJUHHUSA-N 2 2 288.388 0.978 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N[C@H](C[NH+](C)C)c2ccccc2)C[NH2+]1 ZINC001246168719 807173427 /nfs/dbraw/zinc/17/34/27/807173427.db2.gz GGGXFJIGSLAKJH-SOUVJXGZSA-N 2 2 291.395 0.782 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@H](NC[C@H]2CCCC[NH2+]2)C[NH2+]1 ZINC001246179316 807178222 /nfs/dbraw/zinc/17/82/22/807178222.db2.gz LIQKQIVUHVPACL-AGIUHOORSA-N 2 2 283.416 0.790 20 0 CCADLP FC(F)(F)c1nc(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)no1 ZINC001246192000 807181688 /nfs/dbraw/zinc/18/16/88/807181688.db2.gz DDMQETWDJPTJDL-ZETCQYMHSA-N 2 2 291.277 0.272 20 0 CCADLP CO[C@H]1C[NH2+]C[C@@H]1[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246241731 807197201 /nfs/dbraw/zinc/19/72/01/807197201.db2.gz ZDBUOXWCXPIRIE-KBPBESRZSA-N 3 2 267.417 0.875 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](NC2(C(F)(F)F)CC[NH2+]CC2)C[NH2+]1 ZINC001246259858 807199969 /nfs/dbraw/zinc/19/99/69/807199969.db2.gz IYQAYZKTBJXGNE-BDAKNGLRSA-N 2 2 295.305 0.164 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH2+]C2(C[NH3+])CCCC2)CN1 ZINC001246288162 807209026 /nfs/dbraw/zinc/20/90/26/807209026.db2.gz PQVOICNGBFCKMO-QWRGUYRKSA-N 2 2 255.362 0.141 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CCC2(C)C)CCN1 ZINC001246334015 807225522 /nfs/dbraw/zinc/22/55/22/807225522.db2.gz WQPOQHJFXIHNCW-FRRDWIJNSA-N 2 2 283.416 0.648 20 0 CCADLP CCOC(=O)[C@@H](CC)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246332144 807225652 /nfs/dbraw/zinc/22/56/52/807225652.db2.gz ZYCBSICCMSPHGB-GHMZBOCLSA-N 2 2 255.362 0.012 20 0 CCADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246480766 807262030 /nfs/dbraw/zinc/26/20/30/807262030.db2.gz YXFJYJQIPYGRNZ-CVEARBPZSA-N 3 2 286.423 0.466 20 0 CCADLP [NH3+]C[C@@H]1Cc2ccccc2C[N@H+]1[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246480766 807262034 /nfs/dbraw/zinc/26/20/34/807262034.db2.gz YXFJYJQIPYGRNZ-CVEARBPZSA-N 3 2 286.423 0.466 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](C[NH3+])CC(C)C)CN1 ZINC001246502549 807268055 /nfs/dbraw/zinc/26/80/55/807268055.db2.gz FVXIAUKZYIVHGB-WOPDTQHZSA-N 2 2 257.378 0.243 20 0 CCADLP OC[C@H]1CCC(F)(F)C[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246549352 807282909 /nfs/dbraw/zinc/28/29/09/807282909.db2.gz MDYRXVHEWOOJDE-WDEREUQCSA-N 2 2 275.343 0.172 20 0 CCADLP OC[C@H]1CCC(F)(F)C[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246549352 807282913 /nfs/dbraw/zinc/28/29/13/807282913.db2.gz MDYRXVHEWOOJDE-WDEREUQCSA-N 2 2 275.343 0.172 20 0 CCADLP COCCC[NH+]1CCC([N@@H+]2CCCC[C@](O)(C[NH3+])C2)CC1 ZINC001246556117 807286481 /nfs/dbraw/zinc/28/64/81/807286481.db2.gz CXOVNCFQEQHECE-INIZCTEOSA-N 3 2 299.459 0.663 20 0 CCADLP COCCC[NH+]1CCC([N@H+]2CCCC[C@](O)(C[NH3+])C2)CC1 ZINC001246556117 807286485 /nfs/dbraw/zinc/28/64/85/807286485.db2.gz CXOVNCFQEQHECE-INIZCTEOSA-N 3 2 299.459 0.663 20 0 CCADLP CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)CO1 ZINC001246568911 807294401 /nfs/dbraw/zinc/29/44/01/807294401.db2.gz SZEVALBRTGTWNH-DDHJBXDOSA-N 2 2 256.346 0.376 20 0 CCADLP CCOC(=O)[C@H]1CC[C@@H]([N@H+]2C[C@@H](C)[C@H]([NH3+])C2)CO1 ZINC001246568911 807294408 /nfs/dbraw/zinc/29/44/08/807294408.db2.gz SZEVALBRTGTWNH-DDHJBXDOSA-N 2 2 256.346 0.376 20 0 CCADLP COC(=O)N1CCC([N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246656091 807348370 /nfs/dbraw/zinc/34/83/70/807348370.db2.gz MMGPLKBVDQNVQA-GXFFZTMASA-N 2 2 253.346 0.640 20 0 CCADLP COC(=O)N1CCC([N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246656091 807348378 /nfs/dbraw/zinc/34/83/78/807348378.db2.gz MMGPLKBVDQNVQA-GXFFZTMASA-N 2 2 253.346 0.640 20 0 CCADLP C[C@@H]1CC[C@H](N2CC[NH+](C3(C)CC[NH2+]CC3)CC2)C[NH2+]1 ZINC001246808002 807389156 /nfs/dbraw/zinc/38/91/56/807389156.db2.gz AXKOWCDWQVTGFZ-CABCVRRESA-N 3 2 280.460 0.887 20 0 CCADLP O=C(COC1CC[NH+]([C@H]2CCC[NH2+]C2)CC1)NC1CC1 ZINC001246845085 807402982 /nfs/dbraw/zinc/40/29/82/807402982.db2.gz NSYWZDVXGPHYKO-ZDUSSCGKSA-N 2 2 281.400 0.498 20 0 CCADLP CS(=O)(=O)C1CCC([N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246851798 807406902 /nfs/dbraw/zinc/40/69/02/807406902.db2.gz HOJPKAFWZOXTHF-YWPUVAFDSA-N 2 2 272.414 0.765 20 0 CCADLP CS(=O)(=O)C1CCC([N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246851798 807406908 /nfs/dbraw/zinc/40/69/08/807406908.db2.gz HOJPKAFWZOXTHF-YWPUVAFDSA-N 2 2 272.414 0.765 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[N@H+](C)C[C@@H]1CCC[NH2+]1 ZINC001246887735 807420706 /nfs/dbraw/zinc/42/07/06/807420706.db2.gz BYUQRXVEFXMIOL-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[N@@H+](C)C[C@@H]1CCC[NH2+]1 ZINC001246887735 807420709 /nfs/dbraw/zinc/42/07/09/807420709.db2.gz BYUQRXVEFXMIOL-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP CC(C)(C)OC(=O)C[NH+]1CCC(N2C[C@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246923390 807428883 /nfs/dbraw/zinc/42/88/83/807428883.db2.gz YIZHZEBJHCBXMQ-OCCSQVGLSA-N 2 2 295.427 0.696 20 0 CCADLP CC(C)(C)OC(=O)CN1CCC([N@@H+]2C[C@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246923390 807428887 /nfs/dbraw/zinc/42/88/87/807428887.db2.gz YIZHZEBJHCBXMQ-OCCSQVGLSA-N 2 2 295.427 0.696 20 0 CCADLP CC(C)(C)OC(=O)CN1CCC([N@H+]2C[C@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246923390 807428893 /nfs/dbraw/zinc/42/88/93/807428893.db2.gz YIZHZEBJHCBXMQ-OCCSQVGLSA-N 2 2 295.427 0.696 20 0 CCADLP COC(=O)[C@H]([NH3+])[C@H]1CCCN([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246927580 807430420 /nfs/dbraw/zinc/43/04/20/807430420.db2.gz XAZHXVNAVIMAEE-YVECIDJPSA-N 2 2 269.389 0.339 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCCC3(C2)OCCO3)C[C@@H]1[NH3+] ZINC001246933263 807434603 /nfs/dbraw/zinc/43/46/03/807434603.db2.gz RRCFRWLUDUKDMP-UTUOFQBUSA-N 2 2 284.356 0.104 20 0 CCADLP COC(=O)[C@@H]1C[N@H+]([C@@H]2CCCC3(C2)OCCO3)C[C@@H]1[NH3+] ZINC001246933263 807434609 /nfs/dbraw/zinc/43/46/09/807434609.db2.gz RRCFRWLUDUKDMP-UTUOFQBUSA-N 2 2 284.356 0.104 20 0 CCADLP C[C@@H]1CC[C@@H]([N@@H+]2CCC(=O)N3CCC[C@@H]3C2)C[NH2+]1 ZINC001246998154 807451430 /nfs/dbraw/zinc/45/14/30/807451430.db2.gz XNBSQLZJVXRWPA-JHJVBQTASA-N 2 2 251.374 0.824 20 0 CCADLP C[C@@H]1CC[C@@H]([N@H+]2CCC(=O)N3CCC[C@@H]3C2)C[NH2+]1 ZINC001246998154 807451434 /nfs/dbraw/zinc/45/14/34/807451434.db2.gz XNBSQLZJVXRWPA-JHJVBQTASA-N 2 2 251.374 0.824 20 0 CCADLP CCOC(=O)[C@H]1C[N@@H+]([C@H]2CCC[NH2+]C2)CCC12C[NH2+]C2 ZINC001247005102 807452798 /nfs/dbraw/zinc/45/27/98/807452798.db2.gz GADDZDUSDYIQSY-QWHCGFSZSA-N 3 2 281.400 0.213 20 0 CCADLP CCOC(=O)[C@H]1C[N@H+]([C@H]2CCC[NH2+]C2)CCC12C[NH2+]C2 ZINC001247005102 807452804 /nfs/dbraw/zinc/45/28/04/807452804.db2.gz GADDZDUSDYIQSY-QWHCGFSZSA-N 3 2 281.400 0.213 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1C1CC[NH+](CC2CC2)CC1 ZINC001168357489 815119929 /nfs/dbraw/zinc/11/99/29/815119929.db2.gz CDZZICZLVGUKKJ-CYBMUJFWSA-N 3 2 278.400 0.792 20 0 CCADLP [NH3+]C[C@H]([NH3+])Cc1nc(-c2ccc(-n3cccn3)nc2)no1 ZINC001249129193 807545132 /nfs/dbraw/zinc/54/51/32/807545132.db2.gz SNRZENDMNNGEMJ-SNVBAGLBSA-N 2 2 285.311 0.146 20 0 CCADLP [NH3+]C[C@H]([NH3+])Cc1nc(-c2cc(F)c(F)cc2F)no1 ZINC001249128861 807545299 /nfs/dbraw/zinc/54/52/99/807545299.db2.gz HTFSBBUWFURIHP-RXMQYKEDSA-N 2 2 272.230 0.982 20 0 CCADLP COc1cc(NC[C@@H](O)C[NH+]2CCOCC2)cc(C)[nH+]1 ZINC001251005432 807637414 /nfs/dbraw/zinc/63/74/14/807637414.db2.gz BXTOKVIZKLAFMO-CYBMUJFWSA-N 2 2 281.356 0.504 20 0 CCADLP Cc1cccc2[nH+]cc(NC[C@H](O)C[NH+]3CCOCC3)n21 ZINC001251009009 807640341 /nfs/dbraw/zinc/64/03/41/807640341.db2.gz BROFCPQQVMJAPF-ZDUSSCGKSA-N 2 2 290.367 0.748 20 0 CCADLP O[C@H](CNCC[NH+]1CCCCCC1)C[NH+]1CCOCC1 ZINC001251033120 807649140 /nfs/dbraw/zinc/64/91/40/807649140.db2.gz KGYQFOXBWBMZGW-OAHLLOKOSA-N 2 2 285.432 0.145 20 0 CCADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](C[C@H](C)O)CC1 ZINC001251961639 807753744 /nfs/dbraw/zinc/75/37/44/807753744.db2.gz AZUQLPWHMMIRLP-JSGCOSHPSA-N 2 2 256.390 0.942 20 0 CCADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](C[C@H](C)O)CC1 ZINC001251961639 807753748 /nfs/dbraw/zinc/75/37/48/807753748.db2.gz AZUQLPWHMMIRLP-JSGCOSHPSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@H](O)C[NH2+]C1(C(N)=O)CC[NH+](Cc2ccccc2)CC1 ZINC001251971554 807755996 /nfs/dbraw/zinc/75/59/96/807755996.db2.gz LRXSPICLFGGXRB-ZDUSSCGKSA-N 2 2 291.395 0.477 20 0 CCADLP CCOC[C@@H](O)C[NH+]1CCc2[nH]c(C)[nH+]c2CC1 ZINC001252021842 807762949 /nfs/dbraw/zinc/76/29/49/807762949.db2.gz QIKFVSTVPOKOLQ-NSHDSACASA-N 2 2 253.346 0.516 20 0 CCADLP COC[C@@H](O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001252820015 807969800 /nfs/dbraw/zinc/96/98/00/807969800.db2.gz FVMHENGKGNFMNR-STQMWFEESA-N 2 2 266.341 0.850 20 0 CCADLP COC[C@@H](O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001252820015 807969806 /nfs/dbraw/zinc/96/98/06/807969806.db2.gz FVMHENGKGNFMNR-STQMWFEESA-N 2 2 266.341 0.850 20 0 CCADLP COC[C@@H](O)C[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001252828139 807973675 /nfs/dbraw/zinc/97/36/75/807973675.db2.gz HGDJUEZISURHEL-AWEZNQCLSA-N 2 2 279.384 0.895 20 0 CCADLP O=C1CC([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001252945102 807988224 /nfs/dbraw/zinc/98/82/24/807988224.db2.gz XSKDSZSVJXMWQZ-INIZCTEOSA-N 2 2 274.364 0.945 20 0 CCADLP O=C1CC([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001252945102 807988229 /nfs/dbraw/zinc/98/82/29/807988229.db2.gz XSKDSZSVJXMWQZ-INIZCTEOSA-N 2 2 274.364 0.945 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1C[C@@H](C(=O)OC)C2(CC2)C1 ZINC001253194977 808025885 /nfs/dbraw/zinc/02/58/85/808025885.db2.gz MGSMLJTXHZDPFN-OLZOCXBDSA-N 2 2 284.400 0.574 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1C[C@@H](C(=O)OC)C2(CC2)C1 ZINC001253194977 808025890 /nfs/dbraw/zinc/02/58/90/808025890.db2.gz MGSMLJTXHZDPFN-OLZOCXBDSA-N 2 2 284.400 0.574 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC2(CCOC2=O)CC1 ZINC001253195126 808027830 /nfs/dbraw/zinc/02/78/30/808027830.db2.gz NQEUIDNOAWSKKM-CYBMUJFWSA-N 2 2 284.400 0.718 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]CCOc1ccccn1 ZINC001253208462 808032125 /nfs/dbraw/zinc/03/21/25/808032125.db2.gz RCPUSQUPEDBPFH-CYBMUJFWSA-N 2 2 267.373 0.753 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)C2=O ZINC001253393268 808053946 /nfs/dbraw/zinc/05/39/46/808053946.db2.gz RLRBJSGPQCYIIN-GRYCIOLGSA-N 2 2 254.374 0.646 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)C2=O ZINC001253393268 808053955 /nfs/dbraw/zinc/05/39/55/808053955.db2.gz RLRBJSGPQCYIIN-GRYCIOLGSA-N 2 2 254.374 0.646 20 0 CCADLP CNc1cc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nc[nH+]1 ZINC000128338136 815172536 /nfs/dbraw/zinc/17/25/36/815172536.db2.gz ABWZTCHCQAXAKO-GHMZBOCLSA-N 2 2 263.345 0.793 20 0 CCADLP CNc1cc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)nc[nH+]1 ZINC000128338136 815172542 /nfs/dbraw/zinc/17/25/42/815172542.db2.gz ABWZTCHCQAXAKO-GHMZBOCLSA-N 2 2 263.345 0.793 20 0 CCADLP C[N@H+]1C[C@@H]2C[NH+](C[C@@H](O)C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001253684004 808114320 /nfs/dbraw/zinc/11/43/20/808114320.db2.gz KQWRKFICFLVVOF-GRYCIOLGSA-N 2 2 270.373 0.182 20 0 CCADLP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H](O)C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001253684004 808114326 /nfs/dbraw/zinc/11/43/26/808114326.db2.gz KQWRKFICFLVVOF-GRYCIOLGSA-N 2 2 270.373 0.182 20 0 CCADLP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H](O)C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001253684004 808114330 /nfs/dbraw/zinc/11/43/30/808114330.db2.gz KQWRKFICFLVVOF-GRYCIOLGSA-N 2 2 270.373 0.182 20 0 CCADLP C[NH+]1C[C@@H]2C[N@H+](C[C@@H](O)C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001253684004 808114336 /nfs/dbraw/zinc/11/43/36/808114336.db2.gz KQWRKFICFLVVOF-GRYCIOLGSA-N 2 2 270.373 0.182 20 0 CCADLP CCC[N@H+]1C[C@@H]2C[NH+](C[C@H](O)C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001253689111 808116620 /nfs/dbraw/zinc/11/66/20/808116620.db2.gz QDFKKMRLFQNNCF-MJBXVCDLSA-N 2 2 298.427 0.963 20 0 CCADLP CCC[N@@H+]1C[C@@H]2C[NH+](C[C@H](O)C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001253689111 808116625 /nfs/dbraw/zinc/11/66/25/808116625.db2.gz QDFKKMRLFQNNCF-MJBXVCDLSA-N 2 2 298.427 0.963 20 0 CCADLP CCC[NH+]1C[C@@H]2C[N@@H+](C[C@H](O)C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001253689111 808116630 /nfs/dbraw/zinc/11/66/30/808116630.db2.gz QDFKKMRLFQNNCF-MJBXVCDLSA-N 2 2 298.427 0.963 20 0 CCADLP CCC[NH+]1C[C@@H]2C[N@H+](C[C@H](O)C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001253689111 808116632 /nfs/dbraw/zinc/11/66/32/808116632.db2.gz QDFKKMRLFQNNCF-MJBXVCDLSA-N 2 2 298.427 0.963 20 0 CCADLP C[NH+](C)Cc1cn(C[C@@H]2C[C@@]3(CO2)CCC[NH2+]C3)nn1 ZINC001254069891 808177292 /nfs/dbraw/zinc/17/72/92/808177292.db2.gz XQYPWCMOEBABEP-KBPBESRZSA-N 2 2 279.388 0.498 20 0 CCADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+]([C@@H]1CCCOC1)CC2 ZINC001254379042 808226269 /nfs/dbraw/zinc/22/62/69/808226269.db2.gz BIAWFRKQGHMEHT-CQSZACIVSA-N 2 2 295.427 0.842 20 0 CCADLP CNC(=O)C[N@H+]1CCCC12CC[NH+]([C@@H]1CCCOC1)CC2 ZINC001254379042 808226271 /nfs/dbraw/zinc/22/62/71/808226271.db2.gz BIAWFRKQGHMEHT-CQSZACIVSA-N 2 2 295.427 0.842 20 0 CCADLP C[N@@H+]1CCC[C@@H](n2c[nH+]cc2C[C@@H]([NH3+])CO)CC1 ZINC001254505460 808249055 /nfs/dbraw/zinc/24/90/55/808249055.db2.gz GNUYYPKHUOQPJP-VXGBXAGGSA-N 3 2 252.362 0.402 20 0 CCADLP C[N@H+]1CCC[C@@H](n2c[nH+]cc2C[C@@H]([NH3+])CO)CC1 ZINC001254505460 808249060 /nfs/dbraw/zinc/24/90/60/808249060.db2.gz GNUYYPKHUOQPJP-VXGBXAGGSA-N 3 2 252.362 0.402 20 0 CCADLP [NH3+]C[C@@H](O)C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255383082 808351551 /nfs/dbraw/zinc/35/15/51/808351551.db2.gz ZOVQTALIGIKQBK-JKSUJKDBSA-N 3 2 277.412 0.950 20 0 CCADLP [NH3+]C[C@@H](O)C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255383082 808351560 /nfs/dbraw/zinc/35/15/60/808351560.db2.gz ZOVQTALIGIKQBK-JKSUJKDBSA-N 3 2 277.412 0.950 20 0 CCADLP [NH3+][C@@H]1CCC[N@@H+](C2CCN(C(=O)C(F)(F)F)CC2)C1 ZINC001255969761 808442637 /nfs/dbraw/zinc/44/26/37/808442637.db2.gz FMSVZQLUHQZHAH-SECBINFHSA-N 2 2 279.306 0.963 20 0 CCADLP [NH3+][C@@H]1CCC[N@H+](C2CCN(C(=O)C(F)(F)F)CC2)C1 ZINC001255969761 808442645 /nfs/dbraw/zinc/44/26/45/808442645.db2.gz FMSVZQLUHQZHAH-SECBINFHSA-N 2 2 279.306 0.963 20 0 CCADLP CCOC(=O)N1CC[C@H]([NH2+]C2CC[NH+](CCO)CC2)C1 ZINC001256017777 808449892 /nfs/dbraw/zinc/44/98/92/808449892.db2.gz WLXMCWWSUZIPHA-ZDUSSCGKSA-N 2 2 285.388 0.264 20 0 CCADLP CCN(C(=O)[C@@H]1CC2CC[NH+]1CC2)C1C[NH+](C)C1 ZINC001142628329 815207410 /nfs/dbraw/zinc/20/74/10/815207410.db2.gz BVGTZLSJPZOKPF-ZDUSSCGKSA-N 2 2 251.374 0.633 20 0 CCADLP CCC[NH+]1C[C@@H]2C[NH+](C3CCS(=O)(=O)CC3)C[C@H]2C1 ZINC001256393162 808523270 /nfs/dbraw/zinc/52/32/70/808523270.db2.gz RDJKQEDPRKVCDF-CHWSQXEVSA-N 2 2 286.441 0.837 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CC(N3CC[NH+](C)CC3)C2)C1 ZINC001257071201 808589773 /nfs/dbraw/zinc/58/97/73/808589773.db2.gz PRLTZTFGDPSBDD-ZIAGYGMSSA-N 2 2 295.427 0.650 20 0 CCADLP CC(C)[NH+]1CCC([NH2+]C2(CO)CCN(C)CC2)CC1 ZINC001257213523 808598197 /nfs/dbraw/zinc/59/81/97/808598197.db2.gz PFZWQRUSWJKRCP-UHFFFAOYSA-N 2 2 269.433 0.906 20 0 CCADLP COC(=O)C1CCC(NC(=[NH2+])N2CC[NH+](C)CC2)CC1 ZINC001257855412 808638430 /nfs/dbraw/zinc/63/84/30/808638430.db2.gz IATLSAVFMZWUHU-UHFFFAOYSA-N 2 2 282.388 0.490 20 0 CCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)CCCCCC[NH3+] ZINC001261489120 808994242 /nfs/dbraw/zinc/99/42/42/808994242.db2.gz KLGZRBWRUFZRGE-LBPRGKRZSA-N 2 2 285.388 0.259 20 0 CCADLP C[NH2+][C@@H](C)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001261527381 809009500 /nfs/dbraw/zinc/00/95/00/809009500.db2.gz PINGKMWWAATXIP-NSHDSACASA-N 2 2 264.373 0.876 20 0 CCADLP OC[C@H]1C[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC001262011534 809155009 /nfs/dbraw/zinc/15/50/09/809155009.db2.gz OUQQBHFAKGTABK-YUTCNCBUSA-N 2 2 254.374 0.600 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC1(C)CC[NH2+]CC1 ZINC001262097710 809190265 /nfs/dbraw/zinc/19/02/65/809190265.db2.gz KWOBAVHLCHFEAE-UHFFFAOYSA-N 2 2 251.334 0.361 20 0 CCADLP C[C@@H]1[C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CO[C@H]1C ZINC001262198453 809237076 /nfs/dbraw/zinc/23/70/76/809237076.db2.gz MUOSQXHTUYVOFJ-ZQDZILKHSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@@H]1[C@@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CO[C@H]1C ZINC001262198453 809237084 /nfs/dbraw/zinc/23/70/84/809237084.db2.gz MUOSQXHTUYVOFJ-ZQDZILKHSA-N 2 2 297.443 0.942 20 0 CCADLP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc(N2CC[NH2+]CC2)o1 ZINC001262487725 809318521 /nfs/dbraw/zinc/31/85/21/809318521.db2.gz CESNVQDOCSGGKV-LBPRGKRZSA-N 3 2 266.389 0.777 20 0 CCADLP COC[C@H]([NH3+])c1nc([C@H]2C[NH+]3CCC2CC3)no1 ZINC001262487990 809318781 /nfs/dbraw/zinc/31/87/81/809318781.db2.gz MMSVEPLOGJAAHO-UWVGGRQHSA-N 2 2 252.318 0.525 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCCC[NH2+]1 ZINC001263199180 809478699 /nfs/dbraw/zinc/47/86/99/809478699.db2.gz YRGJARZWMOBCHP-STQMWFEESA-N 2 2 269.389 0.356 20 0 CCADLP COCCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001265311847 809756014 /nfs/dbraw/zinc/75/60/14/809756014.db2.gz BNCJJFHSEKEABP-LBPRGKRZSA-N 2 2 280.372 0.190 20 0 CCADLP COCCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001265311847 809756015 /nfs/dbraw/zinc/75/60/15/809756015.db2.gz BNCJJFHSEKEABP-LBPRGKRZSA-N 2 2 280.372 0.190 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCO)C1 ZINC001265495841 809792067 /nfs/dbraw/zinc/79/20/67/809792067.db2.gz JDAHGMXZZQGBNR-FDYHWXHSSA-N 2 2 292.383 0.143 20 0 CCADLP COCC[NH2+][C@@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001265806522 809857495 /nfs/dbraw/zinc/85/74/95/809857495.db2.gz GURJLIRNAGUBRM-NSHDSACASA-N 2 2 254.334 0.014 20 0 CCADLP Cc1nnc(C[N@H+](C)CCCNC(=O)[C@H]2CCC[NH+]2C)o1 ZINC001265815162 809862243 /nfs/dbraw/zinc/86/22/43/809862243.db2.gz QJUKNXDOTUBIQD-GFCCVEGCSA-N 2 2 295.387 0.410 20 0 CCADLP Cc1nnc(C[N@@H+](C)CCCNC(=O)[C@H]2CCC[NH+]2C)o1 ZINC001265815162 809862250 /nfs/dbraw/zinc/86/22/50/809862250.db2.gz QJUKNXDOTUBIQD-GFCCVEGCSA-N 2 2 295.387 0.410 20 0 CCADLP Cc1nnc(C[NH+](C)CCCNC(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001265815162 809862255 /nfs/dbraw/zinc/86/22/55/809862255.db2.gz QJUKNXDOTUBIQD-GFCCVEGCSA-N 2 2 295.387 0.410 20 0 CCADLP Cc1nnc(C[NH+](C)CCCNC(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001265815162 809862261 /nfs/dbraw/zinc/86/22/61/809862261.db2.gz QJUKNXDOTUBIQD-GFCCVEGCSA-N 2 2 295.387 0.410 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001265851357 809875992 /nfs/dbraw/zinc/87/59/92/809875992.db2.gz MYXSSWXDZQBNRG-WDEREUQCSA-N 2 2 268.361 0.092 20 0 CCADLP CN(CC[NH2+]C[C@H]1CCOC1)C(=O)CCn1cc[nH+]c1 ZINC001267410316 811285923 /nfs/dbraw/zinc/28/59/23/811285923.db2.gz HGAGCZASMSYJOZ-CYBMUJFWSA-N 2 2 280.372 0.358 20 0 CCADLP CC[C@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[NH2+]CCO ZINC001267822301 811817161 /nfs/dbraw/zinc/81/71/61/811817161.db2.gz MHSXNVRPIZHMTH-GHMZBOCLSA-N 2 2 268.361 0.065 20 0 CCADLP CC[C@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[NH2+]CCO ZINC001267822301 811817167 /nfs/dbraw/zinc/81/71/67/811817167.db2.gz MHSXNVRPIZHMTH-GHMZBOCLSA-N 2 2 268.361 0.065 20 0 CCADLP CCOCC[N@H+](C)CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001268250407 812415425 /nfs/dbraw/zinc/41/54/25/812415425.db2.gz KQAQCRWXURPWTJ-UHFFFAOYSA-N 2 2 268.361 0.379 20 0 CCADLP CCOCC[N@@H+](C)CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001268250407 812415432 /nfs/dbraw/zinc/41/54/32/812415432.db2.gz KQAQCRWXURPWTJ-UHFFFAOYSA-N 2 2 268.361 0.379 20 0 CCADLP CO[C@@H](C)C[NH2+]CC[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001268419071 812559661 /nfs/dbraw/zinc/55/96/61/812559661.db2.gz JXBYXLONZJOLJL-MNOVXSKESA-N 2 2 282.388 0.780 20 0 CCADLP CCC[N@H+](C)CC(=O)NC1C[NH+](CCCOC)C1 ZINC001268474528 812631696 /nfs/dbraw/zinc/63/16/96/812631696.db2.gz NRDFSZOIYFNISX-UHFFFAOYSA-N 2 2 257.378 0.165 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC1C[NH+](CCCOC)C1 ZINC001268474528 812631699 /nfs/dbraw/zinc/63/16/99/812631699.db2.gz NRDFSZOIYFNISX-UHFFFAOYSA-N 2 2 257.378 0.165 20 0 CCADLP [NH2+]=C(Nc1ccc(=O)n(C2CCOCC2)n1)SCC[NH3+] ZINC001167916676 812677219 /nfs/dbraw/zinc/67/72/19/812677219.db2.gz VVSDFJLGPYPZEF-UHFFFAOYSA-N 2 2 297.384 0.633 20 0 CCADLP COc1cnc(-c2noc([C@H]3C[NH2+]C[C@@H]3[NH3+])n2)c(C)c1 ZINC001211757604 812687463 /nfs/dbraw/zinc/68/74/63/812687463.db2.gz HHWRMLKILSIBJR-UWVGGRQHSA-N 2 2 275.312 0.463 20 0 CCADLP CC[C@H](C(=O)NC/C=C\C[NH2+]Cc1ccon1)[NH+](C)C ZINC001268616620 812949165 /nfs/dbraw/zinc/94/91/65/812949165.db2.gz IVLYETHLUMSKFO-CFHLNLSMSA-N 2 2 280.372 0.777 20 0 CCADLP COCCCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001269192008 813258530 /nfs/dbraw/zinc/25/85/30/813258530.db2.gz IIADKJSDPJJCOQ-CYBMUJFWSA-N 2 2 294.399 0.878 20 0 CCADLP COCCCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001269192008 813258537 /nfs/dbraw/zinc/25/85/37/813258537.db2.gz IIADKJSDPJJCOQ-CYBMUJFWSA-N 2 2 294.399 0.878 20 0 CCADLP COC[C@@H](C)[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126447464 813630624 /nfs/dbraw/zinc/63/06/24/813630624.db2.gz GMZAELYTLJSWBQ-SNVBAGLBSA-N 2 2 254.334 0.083 20 0 CCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001270179932 813664333 /nfs/dbraw/zinc/66/43/33/813664333.db2.gz QTZOYAFFRGWDCZ-OCCSQVGLSA-N 2 2 291.399 0.047 20 0 CCADLP C[N@@H+]1CCC12CN(C(=O)c1cccn3c[nH+]cc13)C2 ZINC001270602686 813834292 /nfs/dbraw/zinc/83/42/92/813834292.db2.gz KWUBXZMRQLNFOW-UHFFFAOYSA-N 2 2 256.309 0.864 20 0 CCADLP C[N@H+]1CCC12CN(C(=O)c1cccn3c[nH+]cc13)C2 ZINC001270602686 813834301 /nfs/dbraw/zinc/83/43/01/813834301.db2.gz KWUBXZMRQLNFOW-UHFFFAOYSA-N 2 2 256.309 0.864 20 0 CCADLP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](C)C[C@H](C1)O2 ZINC001270616876 813839561 /nfs/dbraw/zinc/83/95/61/813839561.db2.gz AKZSBNQQYSNZFS-FRRDWIJNSA-N 2 2 267.373 0.012 20 0 CCADLP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@H](C1)O2 ZINC001270616876 813839570 /nfs/dbraw/zinc/83/95/70/813839570.db2.gz AKZSBNQQYSNZFS-FRRDWIJNSA-N 2 2 267.373 0.012 20 0 CCADLP C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C[C@@H](C1)O2 ZINC001270616876 813839580 /nfs/dbraw/zinc/83/95/80/813839580.db2.gz AKZSBNQQYSNZFS-FRRDWIJNSA-N 2 2 267.373 0.012 20 0 CCADLP C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@@H](C1)O2 ZINC001270616876 813839587 /nfs/dbraw/zinc/83/95/87/813839587.db2.gz AKZSBNQQYSNZFS-FRRDWIJNSA-N 2 2 267.373 0.012 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCF ZINC001029473444 814292822 /nfs/dbraw/zinc/29/28/22/814292822.db2.gz MOMFXDBJXWZCLH-YIYPIFLZSA-N 2 2 283.391 0.829 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCF ZINC001029473444 814292830 /nfs/dbraw/zinc/29/28/30/814292830.db2.gz MOMFXDBJXWZCLH-YIYPIFLZSA-N 2 2 283.391 0.829 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001029473444 814292839 /nfs/dbraw/zinc/29/28/39/814292839.db2.gz MOMFXDBJXWZCLH-YIYPIFLZSA-N 2 2 283.391 0.829 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001029473444 814292846 /nfs/dbraw/zinc/29/28/46/814292846.db2.gz MOMFXDBJXWZCLH-YIYPIFLZSA-N 2 2 283.391 0.829 20 0 CCADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)CC1 ZINC000714247088 814579790 /nfs/dbraw/zinc/57/97/90/814579790.db2.gz BMEGOFUTSTXYGD-SRVKXCTJSA-N 2 2 260.403 0.636 20 0 CCADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)CC1 ZINC000714247088 814579793 /nfs/dbraw/zinc/57/97/93/814579793.db2.gz BMEGOFUTSTXYGD-SRVKXCTJSA-N 2 2 260.403 0.636 20 0 CCADLP CC(=O)NCC[NH+]1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC001271898231 814624540 /nfs/dbraw/zinc/62/45/40/814624540.db2.gz BDSWSCUULINELT-ZDUSSCGKSA-N 2 2 269.389 0.213 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCCCC[C@H]([NH2+]CCO)C1 ZINC001088434452 814685764 /nfs/dbraw/zinc/68/57/64/814685764.db2.gz ZQCJPKMXKKJHPR-ZDUSSCGKSA-N 2 2 280.372 0.236 20 0 CCADLP CN1CCOc2c1cn[nH+]c2N[C@H]1C[NH2+]CC[C@H]1F ZINC001168227856 814916244 /nfs/dbraw/zinc/91/62/44/814916244.db2.gz ZMNJZGUKXBDYBK-BDAKNGLRSA-N 2 2 267.308 0.417 20 0 CCADLP CC[C@H](C[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1)OC ZINC001030161841 815853903 /nfs/dbraw/zinc/85/39/03/815853903.db2.gz QWLDJKBPMZIPKP-CHWSQXEVSA-N 2 2 269.389 0.306 20 0 CCADLP CC[C@H](C[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1)OC ZINC001030161841 815853910 /nfs/dbraw/zinc/85/39/10/815853910.db2.gz QWLDJKBPMZIPKP-CHWSQXEVSA-N 2 2 269.389 0.306 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)NC2C[NH+](CC3CCCCC3)C2)C1 ZINC001030179599 815870960 /nfs/dbraw/zinc/87/09/60/815870960.db2.gz BUWPWYPCZJXNBI-HNNXBMFYSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)NC2C[NH+](CC3CCCCC3)C2)C1 ZINC001030179599 815870966 /nfs/dbraw/zinc/87/09/66/815870966.db2.gz BUWPWYPCZJXNBI-HNNXBMFYSA-N 2 2 295.427 0.698 20 0 CCADLP COCC[NH+]1CC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001030305749 815968133 /nfs/dbraw/zinc/96/81/33/815968133.db2.gz CDZUVWVPZCZDCE-OCCSQVGLSA-N 2 2 281.400 0.308 20 0 CCADLP COCC[NH+]1CC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001030305749 815968139 /nfs/dbraw/zinc/96/81/39/815968139.db2.gz CDZUVWVPZCZDCE-OCCSQVGLSA-N 2 2 281.400 0.308 20 0 CCADLP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC2C[NH+](C[C@@H](C)O)C2)C1 ZINC001030432521 816036907 /nfs/dbraw/zinc/03/69/07/816036907.db2.gz JIESNIJHKBUZIO-CHWSQXEVSA-N 2 2 283.416 0.146 20 0 CCADLP CC(C)C[N@H+]1CC[C@@H](C(=O)NC2C[NH+](C[C@@H](C)O)C2)C1 ZINC001030432521 816036914 /nfs/dbraw/zinc/03/69/14/816036914.db2.gz JIESNIJHKBUZIO-CHWSQXEVSA-N 2 2 283.416 0.146 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2C[NH+](CC3CCCC3)C2)O1 ZINC001030515916 816081463 /nfs/dbraw/zinc/08/14/63/816081463.db2.gz NBELPXYXTDLZJD-IUODEOHRSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2C[NH+](CC3CCCC3)C2)O1 ZINC001030515916 816081472 /nfs/dbraw/zinc/08/14/72/816081472.db2.gz NBELPXYXTDLZJD-IUODEOHRSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC[NH+]1CCF ZINC001088859436 816088911 /nfs/dbraw/zinc/08/89/11/816088911.db2.gz BRROVCDGXPFYAK-XQQFMLRXSA-N 2 2 271.380 0.877 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC[NH+]1CCF ZINC001088859436 816088914 /nfs/dbraw/zinc/08/89/14/816088914.db2.gz BRROVCDGXPFYAK-XQQFMLRXSA-N 2 2 271.380 0.877 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@@H+]1CCF ZINC001088859436 816088918 /nfs/dbraw/zinc/08/89/18/816088918.db2.gz BRROVCDGXPFYAK-XQQFMLRXSA-N 2 2 271.380 0.877 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@H+]1CCF ZINC001088859436 816088922 /nfs/dbraw/zinc/08/89/22/816088922.db2.gz BRROVCDGXPFYAK-XQQFMLRXSA-N 2 2 271.380 0.877 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CC[C@H]2CCOC2)C1 ZINC001030532692 816090777 /nfs/dbraw/zinc/09/07/77/816090777.db2.gz UNRBVIWSZLCFRB-DZGCQCFKSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CC[C@H]2CCOC2)C1 ZINC001030532692 816090783 /nfs/dbraw/zinc/09/07/83/816090783.db2.gz UNRBVIWSZLCFRB-DZGCQCFKSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H](Nc1nccnc1C[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC001120812336 816228039 /nfs/dbraw/zinc/22/80/39/816228039.db2.gz RTTCPUVACOWDBB-MNOVXSKESA-N 2 2 265.361 0.456 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001089074191 816235149 /nfs/dbraw/zinc/23/51/49/816235149.db2.gz LYWMUAXRBWLIJJ-NEPJUHHUSA-N 2 2 266.345 0.109 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001089074191 816235162 /nfs/dbraw/zinc/23/51/62/816235162.db2.gz LYWMUAXRBWLIJJ-NEPJUHHUSA-N 2 2 266.345 0.109 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001030741530 816259159 /nfs/dbraw/zinc/25/91/59/816259159.db2.gz DSVAEMKBAFDTMH-WFASDCNBSA-N 2 2 295.427 0.696 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCO ZINC001272290336 816274909 /nfs/dbraw/zinc/27/49/09/816274909.db2.gz MRGNHRSMDBTDHB-CHWSQXEVSA-N 2 2 294.399 0.220 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@@H](CC[NH2+]CCO)C1 ZINC001272457240 816446948 /nfs/dbraw/zinc/44/69/48/816446948.db2.gz PILBXHPFHGSUER-GFCCVEGCSA-N 2 2 280.372 0.163 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@@H](CC[NH2+]CCO)C1 ZINC001272457240 816446954 /nfs/dbraw/zinc/44/69/54/816446954.db2.gz PILBXHPFHGSUER-GFCCVEGCSA-N 2 2 280.372 0.163 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H](CO)Nc1cc[nH+]c(C)n1)[NH+](C)C ZINC001121860080 816463688 /nfs/dbraw/zinc/46/36/88/816463688.db2.gz FHYUVTBIKLYWRU-RYUDHWBXSA-N 2 2 295.387 0.014 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001030956281 816499675 /nfs/dbraw/zinc/49/96/75/816499675.db2.gz XFSLLPKOQYNMCV-NEPJUHHUSA-N 2 2 269.389 0.306 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001030956281 816499680 /nfs/dbraw/zinc/49/96/80/816499680.db2.gz XFSLLPKOQYNMCV-NEPJUHHUSA-N 2 2 269.389 0.306 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001030956284 816499789 /nfs/dbraw/zinc/49/97/89/816499789.db2.gz XFSLLPKOQYNMCV-VXGBXAGGSA-N 2 2 269.389 0.306 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001030956284 816499795 /nfs/dbraw/zinc/49/97/95/816499795.db2.gz XFSLLPKOQYNMCV-VXGBXAGGSA-N 2 2 269.389 0.306 20 0 CCADLP CCC[NH+]1CC(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001030959626 816504785 /nfs/dbraw/zinc/50/47/85/816504785.db2.gz DBNUWRJMONXYNI-LBPRGKRZSA-N 2 2 276.384 0.964 20 0 CCADLP CC[C@@H](C(=O)N[C@H](C)C[NH3+])[N@@H+]1CCO[C@@H](CC)C1 ZINC001122015924 816536236 /nfs/dbraw/zinc/53/62/36/816536236.db2.gz UTWOGCRCERMXOK-WOPDTQHZSA-N 2 2 257.378 0.339 20 0 CCADLP CC[C@@H](C(=O)N[C@H](C)C[NH3+])[N@H+]1CCO[C@@H](CC)C1 ZINC001122015924 816536241 /nfs/dbraw/zinc/53/62/41/816536241.db2.gz UTWOGCRCERMXOK-WOPDTQHZSA-N 2 2 257.378 0.339 20 0 CCADLP C[C@@H](O)C[NH+]1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001031773346 817355130 /nfs/dbraw/zinc/35/51/30/817355130.db2.gz SSAFFFOVVALUSS-SNVBAGLBSA-N 2 2 288.351 0.605 20 0 CCADLP O=C(NCC1C[NH+](CCCF)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001031782545 817362670 /nfs/dbraw/zinc/36/26/70/817362670.db2.gz GQXOXGZFCKFLDC-ZDUSSCGKSA-N 2 2 294.374 0.853 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)o1 ZINC001127690463 817460715 /nfs/dbraw/zinc/46/07/15/817460715.db2.gz KKQOSRGARRODKF-GHMZBOCLSA-N 2 2 295.387 0.178 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)o1 ZINC001127690463 817460719 /nfs/dbraw/zinc/46/07/19/817460719.db2.gz KKQOSRGARRODKF-GHMZBOCLSA-N 2 2 295.387 0.178 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C)c1csnn1 ZINC001124877157 817611261 /nfs/dbraw/zinc/61/12/61/817611261.db2.gz CZETVDIHKOBEGW-GXSJLCMTSA-N 2 2 283.401 0.399 20 0 CCADLP CC(C)[NH2+]CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001127779585 817857124 /nfs/dbraw/zinc/85/71/24/817857124.db2.gz OIRCIBCFEFVPCT-UHFFFAOYSA-N 2 2 264.373 0.876 20 0 CCADLP CC(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001032331700 817887153 /nfs/dbraw/zinc/88/71/53/817887153.db2.gz HUXGZHLYYCHLED-MELADBBJSA-N 2 2 281.400 0.258 20 0 CCADLP CC(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001032331700 817887158 /nfs/dbraw/zinc/88/71/58/817887158.db2.gz HUXGZHLYYCHLED-MELADBBJSA-N 2 2 281.400 0.258 20 0 CCADLP CC(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001032331700 817887168 /nfs/dbraw/zinc/88/71/68/817887168.db2.gz HUXGZHLYYCHLED-MELADBBJSA-N 2 2 281.400 0.258 20 0 CCADLP CC(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001032331700 817887180 /nfs/dbraw/zinc/88/71/80/817887180.db2.gz HUXGZHLYYCHLED-MELADBBJSA-N 2 2 281.400 0.258 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CCC2)C1 ZINC001032332260 817887266 /nfs/dbraw/zinc/88/72/66/817887266.db2.gz RZSVISPKAMULNV-SOUVJXGZSA-N 2 2 293.411 0.402 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CCC2)C1 ZINC001032332260 817887275 /nfs/dbraw/zinc/88/72/75/817887275.db2.gz RZSVISPKAMULNV-SOUVJXGZSA-N 2 2 293.411 0.402 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CCC2)C1 ZINC001032332260 817887288 /nfs/dbraw/zinc/88/72/88/817887288.db2.gz RZSVISPKAMULNV-SOUVJXGZSA-N 2 2 293.411 0.402 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CCC2)C1 ZINC001032332260 817887294 /nfs/dbraw/zinc/88/72/94/817887294.db2.gz RZSVISPKAMULNV-SOUVJXGZSA-N 2 2 293.411 0.402 20 0 CCADLP Cc1nc(NC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)cc[nH+]1 ZINC001107644783 817913604 /nfs/dbraw/zinc/91/36/04/817913604.db2.gz ILRJJCCBVDIEQQ-PWSUYJOCSA-N 2 2 277.372 0.796 20 0 CCADLP Cc1nc(NC[C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)cc[nH+]1 ZINC001107644783 817913606 /nfs/dbraw/zinc/91/36/06/817913606.db2.gz ILRJJCCBVDIEQQ-PWSUYJOCSA-N 2 2 277.372 0.796 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(-n3cccc3)nn2)CC1 ZINC001168735525 818536329 /nfs/dbraw/zinc/53/63/29/818536329.db2.gz AANGICXYLOSAPP-UHFFFAOYSA-N 2 2 285.355 0.861 20 0 CCADLP C[C@H](CC[NH2+]CCO)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001273066192 818554002 /nfs/dbraw/zinc/55/40/02/818554002.db2.gz AJMVRHPACUBDNB-WDEREUQCSA-N 2 2 268.361 0.065 20 0 CCADLP C[C@H](CC[NH2+]CCO)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001273066192 818554008 /nfs/dbraw/zinc/55/40/08/818554008.db2.gz AJMVRHPACUBDNB-WDEREUQCSA-N 2 2 268.361 0.065 20 0 CCADLP CC(=O)Nc1ccnc(NC(=[NH2+])N2CC[NH+](C)CC2)c1 ZINC001168736986 818557357 /nfs/dbraw/zinc/55/73/57/818557357.db2.gz UFEHLLAGIDVFAJ-UHFFFAOYSA-N 2 2 276.344 0.634 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(-n3ccnc3)nc2)CC1 ZINC001168740666 818606564 /nfs/dbraw/zinc/60/65/64/818606564.db2.gz MKOHXWAYMJDLAT-UHFFFAOYSA-N 2 2 285.355 0.861 20 0 CCADLP COCCOc1cncc(NC(=[NH2+])N2CC[NH+](C)CC2)c1 ZINC001168746561 818628601 /nfs/dbraw/zinc/62/86/01/818628601.db2.gz WNPWCGFDAIVSDG-UHFFFAOYSA-N 2 2 293.371 0.701 20 0 CCADLP Cc1[nH+]ccn1-c1cncc(-n2cnc(C[NH3+])n2)n1 ZINC001168751104 818685148 /nfs/dbraw/zinc/68/51/48/818685148.db2.gz XGBCNFYJDSLMEI-UHFFFAOYSA-N 2 2 256.273 0.010 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033618456 818854426 /nfs/dbraw/zinc/85/44/26/818854426.db2.gz HALRRQQSQLTVIE-WCQYABFASA-N 2 2 294.399 0.828 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033618456 818854428 /nfs/dbraw/zinc/85/44/28/818854428.db2.gz HALRRQQSQLTVIE-WCQYABFASA-N 2 2 294.399 0.828 20 0 CCADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCF)C1 ZINC001033773037 818926250 /nfs/dbraw/zinc/92/62/50/818926250.db2.gz CPKIMOIMCSMDEE-QWHCGFSZSA-N 2 2 271.380 0.973 20 0 CCADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CCF)C1 ZINC001033773037 818926254 /nfs/dbraw/zinc/92/62/54/818926254.db2.gz CPKIMOIMCSMDEE-QWHCGFSZSA-N 2 2 271.380 0.973 20 0 CCADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CCF)C1 ZINC001033773037 818926262 /nfs/dbraw/zinc/92/62/62/818926262.db2.gz CPKIMOIMCSMDEE-QWHCGFSZSA-N 2 2 271.380 0.973 20 0 CCADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CCF)C1 ZINC001033773037 818926266 /nfs/dbraw/zinc/92/62/66/818926266.db2.gz CPKIMOIMCSMDEE-QWHCGFSZSA-N 2 2 271.380 0.973 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCCC[N@@H+](CCCO)C1 ZINC001034550779 819232639 /nfs/dbraw/zinc/23/26/39/819232639.db2.gz YRBRFOPXRLHDIO-ZDUSSCGKSA-N 2 2 280.372 0.236 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCCC[N@H+](CCCO)C1 ZINC001034550779 819232646 /nfs/dbraw/zinc/23/26/46/819232646.db2.gz YRBRFOPXRLHDIO-ZDUSSCGKSA-N 2 2 280.372 0.236 20 0 CCADLP C[C@@H]1C[C@@H](C[NH2+]CCNC(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001128967515 819236660 /nfs/dbraw/zinc/23/66/60/819236660.db2.gz UOGZDZYDPYRBNG-OLZOCXBDSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@@H]1C[C@@H](C[NH2+]CCNC(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC001128967515 819236666 /nfs/dbraw/zinc/23/66/66/819236666.db2.gz UOGZDZYDPYRBNG-OLZOCXBDSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@H]1CC[C@@H](C[NH2+]CCNC(=O)CCc2c[nH]c[nH+]2)O1 ZINC001128967266 819236887 /nfs/dbraw/zinc/23/68/87/819236887.db2.gz IXVATMLQSHYWSI-AAEUAGOBSA-N 2 2 280.372 0.616 20 0 CCADLP C[C@H]1CC[C@@H](C[NH2+]CCNC(=O)CCc2c[nH+]c[nH]2)O1 ZINC001128967266 819236894 /nfs/dbraw/zinc/23/68/94/819236894.db2.gz IXVATMLQSHYWSI-AAEUAGOBSA-N 2 2 280.372 0.616 20 0 CCADLP CC(C)=CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001035312297 819463066 /nfs/dbraw/zinc/46/30/66/819463066.db2.gz HTGFQRLOKWMEKB-CABCVRRESA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)=CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001035312297 819463072 /nfs/dbraw/zinc/46/30/72/819463072.db2.gz HTGFQRLOKWMEKB-CABCVRRESA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001035312297 819463077 /nfs/dbraw/zinc/46/30/77/819463077.db2.gz HTGFQRLOKWMEKB-CABCVRRESA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001035312297 819463083 /nfs/dbraw/zinc/46/30/83/819463083.db2.gz HTGFQRLOKWMEKB-CABCVRRESA-N 2 2 295.427 0.864 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[NH+](CCCF)CCO1 ZINC001035314038 819464906 /nfs/dbraw/zinc/46/49/06/819464906.db2.gz UIFSDHFFSXELRP-QWHCGFSZSA-N 2 2 287.379 0.257 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[NH+](CCCF)CCO1 ZINC001035314038 819464909 /nfs/dbraw/zinc/46/49/09/819464909.db2.gz UIFSDHFFSXELRP-QWHCGFSZSA-N 2 2 287.379 0.257 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[N@H+](CCCF)CCO1 ZINC001035314038 819464916 /nfs/dbraw/zinc/46/49/16/819464916.db2.gz UIFSDHFFSXELRP-QWHCGFSZSA-N 2 2 287.379 0.257 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](CCCF)CCO1 ZINC001035314038 819464922 /nfs/dbraw/zinc/46/49/22/819464922.db2.gz UIFSDHFFSXELRP-QWHCGFSZSA-N 2 2 287.379 0.257 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1[NH2+]CCO ZINC001036049421 819677384 /nfs/dbraw/zinc/67/73/84/819677384.db2.gz WJPKLMDIPVYWAQ-YPMHNXCESA-N 2 2 280.372 0.161 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CCO ZINC001036049421 819677388 /nfs/dbraw/zinc/67/73/88/819677388.db2.gz WJPKLMDIPVYWAQ-YPMHNXCESA-N 2 2 280.372 0.161 20 0 CCADLP C[C@H](C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)CS(C)(=O)=O ZINC000707349726 819734936 /nfs/dbraw/zinc/73/49/36/819734936.db2.gz XDDSRLUMDFKARF-GRYCIOLGSA-N 2 2 260.403 0.208 20 0 CCADLP C[C@H](C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)CS(C)(=O)=O ZINC000707349726 819734941 /nfs/dbraw/zinc/73/49/41/819734941.db2.gz XDDSRLUMDFKARF-GRYCIOLGSA-N 2 2 260.403 0.208 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711279031 819996543 /nfs/dbraw/zinc/99/65/43/819996543.db2.gz FGTRCGQVTKCXKZ-WDEREUQCSA-N 2 2 250.346 0.633 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)CC[C@@H]1[NH3+] ZINC001118197613 820089496 /nfs/dbraw/zinc/08/94/96/820089496.db2.gz VLKHQZVMONVNLB-UTUOFQBUSA-N 2 2 260.403 0.480 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)CC[C@@H]1[NH3+] ZINC001118197613 820089507 /nfs/dbraw/zinc/08/95/07/820089507.db2.gz VLKHQZVMONVNLB-UTUOFQBUSA-N 2 2 260.403 0.480 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2C)c[nH+]1 ZINC001079947564 820491203 /nfs/dbraw/zinc/49/12/03/820491203.db2.gz FHHBBZCDFFUNGQ-DGCLKSJQSA-N 2 2 294.399 0.355 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2C)c[nH+]1 ZINC001079947564 820491209 /nfs/dbraw/zinc/49/12/09/820491209.db2.gz FHHBBZCDFFUNGQ-DGCLKSJQSA-N 2 2 294.399 0.355 20 0 CCADLP C[NH+](C)C1(CNc2ncc(N)cn2)CC[NH+](C)CC1 ZINC001164213591 820663241 /nfs/dbraw/zinc/66/32/41/820663241.db2.gz XOGFVEVDBKRSNJ-UHFFFAOYSA-N 2 2 264.377 0.497 20 0 CCADLP CO[C@@H]1C[N@@H+](CC2CC2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082394884 820955985 /nfs/dbraw/zinc/95/59/85/820955985.db2.gz KSNXJQXHXFOLFH-CHWSQXEVSA-N 2 2 278.356 0.109 20 0 CCADLP CO[C@@H]1C[N@H+](CC2CCC2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082394955 820956020 /nfs/dbraw/zinc/95/60/20/820956020.db2.gz OLTWUMVRPFGXGD-ZIAGYGMSSA-N 2 2 292.383 0.499 20 0 CCADLP CO[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082394955 820956024 /nfs/dbraw/zinc/95/60/24/820956024.db2.gz OLTWUMVRPFGXGD-ZIAGYGMSSA-N 2 2 292.383 0.499 20 0 CCADLP C[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCO)C1)n1cc[nH+]c1 ZINC001082771459 821031414 /nfs/dbraw/zinc/03/14/14/821031414.db2.gz BCHTVKRGCYLKAR-JHJVBQTASA-N 2 2 280.372 0.263 20 0 CCADLP CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001082935385 821065643 /nfs/dbraw/zinc/06/56/43/821065643.db2.gz YRNJFXVFUGOCIJ-BPLDGKMQSA-N 2 2 295.427 0.554 20 0 CCADLP CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001084465723 821293929 /nfs/dbraw/zinc/29/39/29/821293929.db2.gz SLGKZLUYUNZFQR-MGPQQGTHSA-N 2 2 288.395 0.998 20 0 CCADLP CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001084465723 821293937 /nfs/dbraw/zinc/29/39/37/821293937.db2.gz SLGKZLUYUNZFQR-MGPQQGTHSA-N 2 2 288.395 0.998 20 0 CCADLP O=C(C[NH+]1CCCC1)N1C[C@H]2CC[N@@H+](CCF)C[C@H]21 ZINC001084831302 821404295 /nfs/dbraw/zinc/40/42/95/821404295.db2.gz FYMVGKNNOWQSPV-CHWSQXEVSA-N 2 2 269.364 0.584 20 0 CCADLP O=C(C[NH+]1CCCC1)N1C[C@H]2CC[N@H+](CCF)C[C@H]21 ZINC001084831302 821404298 /nfs/dbraw/zinc/40/42/98/821404298.db2.gz FYMVGKNNOWQSPV-CHWSQXEVSA-N 2 2 269.364 0.584 20 0 CCADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000828635163 821793413 /nfs/dbraw/zinc/79/34/13/821793413.db2.gz FEZXUNKGEBDLAM-NHYWBVRUSA-N 2 2 291.351 0.126 20 0 CCADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000828635163 821793418 /nfs/dbraw/zinc/79/34/18/821793418.db2.gz FEZXUNKGEBDLAM-NHYWBVRUSA-N 2 2 291.351 0.126 20 0 CCADLP O=C(NC[C@H]1C[C@H]([NH2+]CCF)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001086406181 822240654 /nfs/dbraw/zinc/24/06/54/822240654.db2.gz CQTNZSKGEKGSCL-AVGNSLFASA-N 2 2 294.374 0.899 20 0 CCADLP C[NH+](C)[C@@H](C(=O)NCC[NH2+]Cc1nncs1)C1CC1 ZINC001129443477 837511199 /nfs/dbraw/zinc/51/11/99/837511199.db2.gz KJYLFEQZGNCDGA-LLVKDONJSA-N 2 2 283.401 0.084 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)C[N@H+](C)C1CCC1)c1csnn1 ZINC001129532235 837522017 /nfs/dbraw/zinc/52/20/17/837522017.db2.gz WHXKQEMPXNSCAS-JTQLQIEISA-N 2 2 297.428 0.789 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)C[N@@H+](C)C1CCC1)c1csnn1 ZINC001129532235 837522019 /nfs/dbraw/zinc/52/20/19/837522019.db2.gz WHXKQEMPXNSCAS-JTQLQIEISA-N 2 2 297.428 0.789 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCC[NH2+]CCCF)c[nH+]1 ZINC001130165264 837712471 /nfs/dbraw/zinc/71/24/71/837712471.db2.gz WARDMDSBKZOOFY-UHFFFAOYSA-N 2 2 270.352 0.992 20 0 CCADLP CC[C@H](C(=O)NCC[NH2+][C@H](C)c1nnc(C)[nH]1)[NH+](C)C ZINC001130203150 837722152 /nfs/dbraw/zinc/72/21/52/837722152.db2.gz GPOWRIKIOXEILB-MWLCHTKSSA-N 2 2 282.392 0.220 20 0 CCADLP CCc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@@H](CC)[NH+](C)C)[nH]1 ZINC001130203328 837722366 /nfs/dbraw/zinc/72/23/66/837722366.db2.gz JGOQEQRXSMULMK-GHMZBOCLSA-N 2 2 296.419 0.474 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1cnsn1 ZINC001130297991 837754324 /nfs/dbraw/zinc/75/43/24/837754324.db2.gz UYQHKIXJBADQIU-NSHDSACASA-N 2 2 283.401 0.228 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1cnsn1 ZINC001130297991 837754334 /nfs/dbraw/zinc/75/43/34/837754334.db2.gz UYQHKIXJBADQIU-NSHDSACASA-N 2 2 283.401 0.228 20 0 CCADLP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+][C@H](C)c1nnc(C)o1 ZINC001130426783 837790257 /nfs/dbraw/zinc/79/02/57/837790257.db2.gz BVOIFDAREGWZJH-SNVBAGLBSA-N 2 2 297.403 0.875 20 0 CCADLP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+][C@H](C)c1nnc(C)o1 ZINC001130426783 837790262 /nfs/dbraw/zinc/79/02/62/837790262.db2.gz BVOIFDAREGWZJH-SNVBAGLBSA-N 2 2 297.403 0.875 20 0 CCADLP CC(C)[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130487947 837812457 /nfs/dbraw/zinc/81/24/57/837812457.db2.gz LQMVGXGCFMBWMY-LLVKDONJSA-N 2 2 250.346 0.560 20 0 CCADLP [NH3+]CC1(NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)COC1 ZINC001183752072 844091283 /nfs/dbraw/zinc/09/12/83/844091283.db2.gz FTFYQYCVFLEYQR-ZDUSSCGKSA-N 2 2 275.352 0.105 20 0 CCADLP [NH3+]CC1(NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)COC1 ZINC001183752072 844091297 /nfs/dbraw/zinc/09/12/97/844091297.db2.gz FTFYQYCVFLEYQR-ZDUSSCGKSA-N 2 2 275.352 0.105 20 0 CCADLP Cc1ncc(C[NH3+])c(=N)n1C(=O)CCc1ccc(N)[nH+]c1 ZINC001183935958 844114305 /nfs/dbraw/zinc/11/43/05/844114305.db2.gz NIUBBRCYFJICHH-UHFFFAOYSA-N 2 2 286.339 0.380 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001108439200 836109740 /nfs/dbraw/zinc/10/97/40/836109740.db2.gz DHHHPAWPEVTSJV-HNNXBMFYSA-N 2 2 294.399 0.746 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001108439200 836109743 /nfs/dbraw/zinc/10/97/43/836109743.db2.gz DHHHPAWPEVTSJV-HNNXBMFYSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@]1(CNC(=O)Cn2cc[nH+]c2)C[N@H+](CCCF)CCO1 ZINC001108436406 836114184 /nfs/dbraw/zinc/11/41/84/836114184.db2.gz PLONGNQJLOFOSY-AWEZNQCLSA-N 2 2 298.362 0.450 20 0 CCADLP C[C@]1(CNC(=O)Cn2cc[nH+]c2)C[N@@H+](CCCF)CCO1 ZINC001108436406 836114187 /nfs/dbraw/zinc/11/41/87/836114187.db2.gz PLONGNQJLOFOSY-AWEZNQCLSA-N 2 2 298.362 0.450 20 0 CCADLP Cc1ncc(Cl)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169066477 836122640 /nfs/dbraw/zinc/12/26/40/836122640.db2.gz FAAUNUFNJQAQFL-MRVPVSSYSA-N 2 2 267.720 0.486 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc(N2CCCC2)nn1 ZINC001169066775 836122700 /nfs/dbraw/zinc/12/27/00/836122700.db2.gz JCZQPQBFRRQONS-LLVKDONJSA-N 2 2 288.355 0.125 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncc2[nH]ccc2n1 ZINC001169067011 836122821 /nfs/dbraw/zinc/12/28/21/836122821.db2.gz KSFLABZLKQOGOD-MRVPVSSYSA-N 2 2 258.285 0.006 20 0 CCADLP CCCNc1ccnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169067426 836123917 /nfs/dbraw/zinc/12/39/17/836123917.db2.gz SONKGABDZXZGSO-SNVBAGLBSA-N 2 2 276.344 0.346 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccnc(N2CCCC2)n1 ZINC001169071797 836125495 /nfs/dbraw/zinc/12/54/95/836125495.db2.gz LKRRDHJOJVXKKC-LLVKDONJSA-N 2 2 288.355 0.125 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nccnc1Cl ZINC001169072682 836125703 /nfs/dbraw/zinc/12/57/03/836125703.db2.gz RMPWZBSGOVRVBH-SSDOTTSWSA-N 2 2 253.693 0.178 20 0 CCADLP Cc1c[nH]c2nc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)ncc12 ZINC001169072757 836125816 /nfs/dbraw/zinc/12/58/16/836125816.db2.gz WQYIHOYQUFUPEQ-SECBINFHSA-N 2 2 272.312 0.266 20 0 CCADLP Nc1[nH]c2ccc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)cc2[nH+]1 ZINC001169074722 836126620 /nfs/dbraw/zinc/12/66/20/836126620.db2.gz LACNZNSWIGHDCR-MRVPVSSYSA-N 3 2 272.312 0.193 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cnc2[nH]cc(F)c2c1 ZINC001169075548 836128248 /nfs/dbraw/zinc/12/82/48/836128248.db2.gz SQWQHFGXZFEWBQ-MRVPVSSYSA-N 2 2 275.287 0.750 20 0 CCADLP C[N@H+](CCO)CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124818 836141161 /nfs/dbraw/zinc/14/11/61/836141161.db2.gz UHZGPDLKYCJZRD-BTTYYORXSA-N 3 2 255.406 0.515 20 0 CCADLP C[N@@H+](CCO)CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169124818 836141163 /nfs/dbraw/zinc/14/11/63/836141163.db2.gz UHZGPDLKYCJZRD-BTTYYORXSA-N 3 2 255.406 0.515 20 0 CCADLP C[NH+](CCO)CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169124818 836141166 /nfs/dbraw/zinc/14/11/66/836141166.db2.gz UHZGPDLKYCJZRD-BTTYYORXSA-N 3 2 255.406 0.515 20 0 CCADLP C[NH+](CCO)CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169124818 836141170 /nfs/dbraw/zinc/14/11/70/836141170.db2.gz UHZGPDLKYCJZRD-BTTYYORXSA-N 3 2 255.406 0.515 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Nc2ccc([C@@H]3CCC[NH2+]3)cn2)C[NH2+]1 ZINC001169130033 836145619 /nfs/dbraw/zinc/14/56/19/836145619.db2.gz RBSACCUVGVJDJG-AGIUHOORSA-N 2 2 290.367 0.822 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Nc2cccn3c[nH+]cc23)C[NH2+]1 ZINC001169137083 836149581 /nfs/dbraw/zinc/14/95/81/836149581.db2.gz UIJQGLQLXTXINZ-KOLCDFICSA-N 2 2 260.297 0.650 20 0 CCADLP CN(C)C(=O)C[NH+]1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001169141035 836152204 /nfs/dbraw/zinc/15/22/04/836152204.db2.gz OGJRDZUMVILPLZ-QDMKHBRRSA-N 2 2 294.443 0.317 20 0 CCADLP CN(C)C(=O)C[NH+]1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001169141035 836152211 /nfs/dbraw/zinc/15/22/11/836152211.db2.gz OGJRDZUMVILPLZ-QDMKHBRRSA-N 2 2 294.443 0.317 20 0 CCADLP Cc1nccnc1C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169212982 836162105 /nfs/dbraw/zinc/16/21/05/836162105.db2.gz ZZTVKAYCKGUWHU-UHFFFAOYSA-N 2 2 288.355 0.347 20 0 CCADLP CC[NH+]1CCC(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)CC1 ZINC001169233964 836166469 /nfs/dbraw/zinc/16/64/69/836166469.db2.gz ZBOKCEUVDGYRFO-OAHLLOKOSA-N 3 2 266.433 0.483 20 0 CCADLP CC[NH+]1CCC([NH2+][C@@H]2COCCC23OCCO3)CC1 ZINC001169231317 836167511 /nfs/dbraw/zinc/16/75/11/836167511.db2.gz XJTKPIOCCDZGRE-CYBMUJFWSA-N 2 2 270.373 0.592 20 0 CCADLP CC[NH+]1CCC([N@@H+]2CC[C@H]3OCC[C@@]3(C(=O)NC)C2)CC1 ZINC001169250790 836175828 /nfs/dbraw/zinc/17/58/28/836175828.db2.gz RPCDMGTUMVCDGP-GDBMZVCRSA-N 2 2 295.427 0.698 20 0 CCADLP CC[NH+]1CCC([N@H+]2CC[C@H]3OCC[C@@]3(C(=O)NC)C2)CC1 ZINC001169250790 836175832 /nfs/dbraw/zinc/17/58/32/836175832.db2.gz RPCDMGTUMVCDGP-GDBMZVCRSA-N 2 2 295.427 0.698 20 0 CCADLP Cc1ccnc(C[NH2+]CCNC(=O)C2([NH+](C)C)CCC2)n1 ZINC001129352366 836496027 /nfs/dbraw/zinc/49/60/27/836496027.db2.gz YSEJSYZHJFUWJG-UHFFFAOYSA-N 2 2 291.399 0.475 20 0 CCADLP C[C@@H]1CCC[C@H](C)N1C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157450891 837015163 /nfs/dbraw/zinc/01/51/63/837015163.db2.gz HKGJJEKFKJJYBY-KZVDOYCCSA-N 2 2 251.374 0.727 20 0 CCADLP Cc1ncccc1C[NH+]1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001113300489 837079574 /nfs/dbraw/zinc/07/95/74/837079574.db2.gz YEBPQPYDTZDANX-UHFFFAOYSA-N 2 2 290.411 0.986 20 0 CCADLP COCCCC[NH+]1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001113583333 837167141 /nfs/dbraw/zinc/16/71/41/837167141.db2.gz FLWUKDFJSCVNKT-UHFFFAOYSA-N 2 2 294.399 0.831 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2Cc3cncnc3C2)cc1 ZINC001157716416 837307248 /nfs/dbraw/zinc/30/72/48/837307248.db2.gz MXMRHVLYNICCEG-ZDUSSCGKSA-N 2 2 283.335 0.591 20 0 CCADLP Cn1c[nH+]c2ccc(NCCOCCOCC[NH3+])cc21 ZINC001170507149 837870719 /nfs/dbraw/zinc/87/07/19/837870719.db2.gz FOMNKWXZDBJDJI-UHFFFAOYSA-N 2 2 278.356 0.977 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001184710118 844276339 /nfs/dbraw/zinc/27/63/39/844276339.db2.gz RIZWADZGAMNIOZ-CHWSQXEVSA-N 2 2 280.372 0.499 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]CCC1CC1 ZINC001132081462 838313036 /nfs/dbraw/zinc/31/30/36/838313036.db2.gz ADNARTPMLKRLFS-UHFFFAOYSA-N 2 2 250.346 0.779 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)CCC[NH+](C)C)o1 ZINC001133040119 838538274 /nfs/dbraw/zinc/53/82/74/838538274.db2.gz BVFWHJGOIIHAQT-UHFFFAOYSA-N 2 2 282.388 0.785 20 0 CCADLP CC(C)c1cnc(C[NH2+]CCNC(=O)CC[NH+](C)C)o1 ZINC001133290998 838590915 /nfs/dbraw/zinc/59/09/15/838590915.db2.gz HDTLXWWKDMFYFS-UHFFFAOYSA-N 2 2 282.388 0.956 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C)nc1 ZINC001133415551 838622264 /nfs/dbraw/zinc/62/22/64/838622264.db2.gz CZJIFSRIBJQRNF-CQSZACIVSA-N 2 2 293.415 0.577 20 0 CCADLP CC[C@@H](C(=O)NCC[NH2+]Cc1csnn1)[NH+](CC)CC ZINC001133685070 838695920 /nfs/dbraw/zinc/69/59/20/838695920.db2.gz PFDYBNYEPVULTB-LBPRGKRZSA-N 2 2 299.444 0.864 20 0 CCADLP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]Cc1nncs1 ZINC001133823421 838725561 /nfs/dbraw/zinc/72/55/61/838725561.db2.gz GCIJWOSROGZFQT-SNVBAGLBSA-N 2 2 283.401 0.228 20 0 CCADLP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]Cc1nncs1 ZINC001133823421 838725550 /nfs/dbraw/zinc/72/55/50/838725550.db2.gz GCIJWOSROGZFQT-SNVBAGLBSA-N 2 2 283.401 0.228 20 0 CCADLP CC[C@@H](C(=O)NCC[NH2+]Cc1nc(C)c(C)o1)[NH+](C)C ZINC001133982678 838803300 /nfs/dbraw/zinc/80/33/00/838803300.db2.gz HKTUJCBTXJRKOF-LBPRGKRZSA-N 2 2 282.388 0.837 20 0 CCADLP C[C@H](O)CCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134042629 838841063 /nfs/dbraw/zinc/84/10/63/838841063.db2.gz JLTMNYNADMBIHR-YNEHKIRRSA-N 2 2 294.399 0.390 20 0 CCADLP C[C@@H](C[C@H](C)[NH2+]CCO)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134229471 838914625 /nfs/dbraw/zinc/91/46/25/838914625.db2.gz UBWOVTJREPGDBC-QWRGUYRKSA-N 2 2 268.361 0.208 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CC[C@H]1CCCCO1 ZINC001134393003 838964814 /nfs/dbraw/zinc/96/48/14/838964814.db2.gz FZOCYMYOQUSWRV-CYBMUJFWSA-N 2 2 280.372 0.617 20 0 CCADLP COCCC[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001134499230 838995315 /nfs/dbraw/zinc/99/53/15/838995315.db2.gz YYDDHLIDECMOPQ-LBPRGKRZSA-N 2 2 268.361 0.577 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@@H]1Nc1cc(N2CCCC2)[nH+]cn1 ZINC001170773914 839083543 /nfs/dbraw/zinc/08/35/43/839083543.db2.gz KICQEQFYSOXYCL-QWRGUYRKSA-N 2 2 263.345 0.069 20 0 CCADLP C[C@H](C[C@H](C)[NH2+]CCO)NC(=O)c1cccc2[nH+]ccn21 ZINC001134965535 839131460 /nfs/dbraw/zinc/13/14/60/839131460.db2.gz XXRZLVROUKFMNU-NWDGAFQWSA-N 2 2 290.367 0.813 20 0 CCADLP COCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001135056922 839143046 /nfs/dbraw/zinc/14/30/46/839143046.db2.gz PJNRWFYVGXWJIU-STQMWFEESA-N 2 2 296.415 0.872 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1C[NH2+]CCF ZINC001185380094 844406467 /nfs/dbraw/zinc/40/64/67/844406467.db2.gz IRQAQFDFDKYPFV-VXGBXAGGSA-N 2 2 282.363 0.996 20 0 CCADLP CCC[N@H+](CCO)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001098488065 839172710 /nfs/dbraw/zinc/17/27/10/839172710.db2.gz DFEJZICQKXCMBX-UHFFFAOYSA-N 2 2 294.399 0.648 20 0 CCADLP CCC[N@@H+](CCO)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001098488065 839172714 /nfs/dbraw/zinc/17/27/14/839172714.db2.gz DFEJZICQKXCMBX-UHFFFAOYSA-N 2 2 294.399 0.648 20 0 CCADLP COCC[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001185372448 844411338 /nfs/dbraw/zinc/41/13/38/844411338.db2.gz XVVARQVPUWWIMJ-STQMWFEESA-N 2 2 294.399 0.673 20 0 CCADLP COCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135553166 839292656 /nfs/dbraw/zinc/29/26/56/839292656.db2.gz QQRVFPMZLZQELW-WDEREUQCSA-N 2 2 268.361 0.472 20 0 CCADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1C[NH2+]CCO ZINC001185502294 844426542 /nfs/dbraw/zinc/42/65/42/844426542.db2.gz LJEBHULTWILMTN-QWHCGFSZSA-N 2 2 294.399 0.029 20 0 CCADLP CC(C)CCOCC[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135766192 839390132 /nfs/dbraw/zinc/39/01/32/839390132.db2.gz LSGGPABXUQAMCT-UHFFFAOYSA-N 2 2 282.388 0.721 20 0 CCADLP C[C@H]1CC[C@H]([NH2+]C[C@H](O)COCc2ccco2)C[NH2+]1 ZINC001245977554 839575572 /nfs/dbraw/zinc/57/55/72/839575572.db2.gz YLHTTYSMERSWRZ-AVGNSLFASA-N 2 2 268.357 0.887 20 0 CCADLP O[C@H](C[NH2+]C[C@H]1CCC[NH2+]1)COc1cccc(F)c1 ZINC001245984090 839577767 /nfs/dbraw/zinc/57/77/67/839577767.db2.gz VBIOMHNKGHJZCP-CHWSQXEVSA-N 2 2 268.332 0.907 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246077798 839595387 /nfs/dbraw/zinc/59/53/87/839595387.db2.gz FUZMDFXRDZEOHL-XQQFMLRXSA-N 2 2 269.389 0.354 20 0 CCADLP Cc1nc(Nc2nccnc2C[NH3+])cc(N(C)C)[nH+]1 ZINC001160245931 839736779 /nfs/dbraw/zinc/73/67/79/839736779.db2.gz JNFPDPBZNHRMBV-UHFFFAOYSA-N 2 2 259.317 0.843 20 0 CCADLP CC(C)C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090728202 839757473 /nfs/dbraw/zinc/75/74/73/839757473.db2.gz QHCOKQYEXBOMCV-KGLIPLIRSA-N 2 2 294.399 0.170 20 0 CCADLP CC(C)C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090728202 839757479 /nfs/dbraw/zinc/75/74/79/839757479.db2.gz QHCOKQYEXBOMCV-KGLIPLIRSA-N 2 2 294.399 0.170 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C[C@@H]1C(=O)OC ZINC001246357185 839821349 /nfs/dbraw/zinc/82/13/49/839821349.db2.gz JVACDSNTBOJBFI-KKOKHZNYSA-N 2 2 284.356 0.069 20 0 CCADLP CC(C)OC(=O)CC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246497727 839875674 /nfs/dbraw/zinc/87/56/74/839875674.db2.gz PYTCYOBMNLOOOI-NEPJUHHUSA-N 2 2 257.378 0.258 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC[C@@H](c3ccccc3F)C2)C1 ZINC001160535286 839998983 /nfs/dbraw/zinc/99/89/83/839998983.db2.gz OTTVJRHVHDOKBA-GYSYKLTISA-N 2 2 277.343 0.831 20 0 CCADLP CC[NH+]1CCC(N(C)C(=O)C2([NH3+])CC[NH2+]CC2)CC1 ZINC001160537208 840000157 /nfs/dbraw/zinc/00/01/57/840000157.db2.gz IORPKPJHPHFZTK-UHFFFAOYSA-N 3 2 268.405 0.010 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC001246562555 840029795 /nfs/dbraw/zinc/02/97/95/840029795.db2.gz UHFDMBMGECWQRD-XGUBFFRZSA-N 3 2 267.417 0.835 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC001246562555 840029801 /nfs/dbraw/zinc/02/98/01/840029801.db2.gz UHFDMBMGECWQRD-XGUBFFRZSA-N 3 2 267.417 0.835 20 0 CCADLP CC[NH2+]C1CC(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001091106866 840051674 /nfs/dbraw/zinc/05/16/74/840051674.db2.gz WIPDVSDLJVPXTK-OTTFEQOBSA-N 2 2 276.384 0.950 20 0 CCADLP CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146772157 840362750 /nfs/dbraw/zinc/36/27/50/840362750.db2.gz RTNVQKOKZITLLP-OLZOCXBDSA-N 2 2 282.388 0.793 20 0 CCADLP CC[C@H](C[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C)OC ZINC001149123625 840513528 /nfs/dbraw/zinc/51/35/28/840513528.db2.gz MQKJJBIXDXHONO-LLVKDONJSA-N 2 2 268.361 0.391 20 0 CCADLP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC[NH2+]Cc2cnon2)C1 ZINC001147834795 840695198 /nfs/dbraw/zinc/69/51/98/840695198.db2.gz MUCLPJYOYZEVHY-YPMHNXCESA-N 2 2 295.387 0.396 20 0 CCADLP CC[C@@H](C)C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147872043 840707967 /nfs/dbraw/zinc/70/79/67/840707967.db2.gz YHERMEGFZNQSFF-LLVKDONJSA-N 2 2 252.362 0.715 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)oc1C ZINC001147877183 840710652 /nfs/dbraw/zinc/71/06/52/840710652.db2.gz FPYOUPVVCRWEPX-ZDUSSCGKSA-N 2 2 294.399 0.839 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)C[C@@H]2CC[N@H+](C)C2)oc1C ZINC001147877183 840710655 /nfs/dbraw/zinc/71/06/55/840710655.db2.gz FPYOUPVVCRWEPX-ZDUSSCGKSA-N 2 2 294.399 0.839 20 0 CCADLP CC[C@H](C[NH2+]CCNC(=O)Cc1c[nH+]cn1C)OC ZINC001147876961 840711254 /nfs/dbraw/zinc/71/12/54/840711254.db2.gz ANZLXJQBHISKHS-GFCCVEGCSA-N 2 2 268.361 0.093 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]Cc1ccsc1 ZINC001147876986 840711605 /nfs/dbraw/zinc/71/16/05/840711605.db2.gz BFPNXLLCMVFJIY-UHFFFAOYSA-N 2 2 278.381 0.930 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001147878197 840714611 /nfs/dbraw/zinc/71/46/11/840714611.db2.gz USTFCDUAFMXCCT-ZDUSSCGKSA-N 2 2 294.399 0.484 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186575844 844570582 /nfs/dbraw/zinc/57/05/82/844570582.db2.gz FMSJTODINQFGLB-GHMZBOCLSA-N 2 2 266.345 0.178 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001186583351 844571315 /nfs/dbraw/zinc/57/13/15/844571315.db2.gz DNIOLSBRVAPXIQ-BRPGZNNISA-N 2 2 268.748 0.895 20 0 CCADLP CCC[N@H+](C)CCC(=O)NCC[NH2+]Cc1nc(CC)no1 ZINC001148578003 840847221 /nfs/dbraw/zinc/84/72/21/840847221.db2.gz NEFLAHNSTHLASZ-UHFFFAOYSA-N 2 2 297.403 0.570 20 0 CCADLP CCC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1nc(CC)no1 ZINC001148578003 840847233 /nfs/dbraw/zinc/84/72/33/840847233.db2.gz NEFLAHNSTHLASZ-UHFFFAOYSA-N 2 2 297.403 0.570 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001148642935 840863782 /nfs/dbraw/zinc/86/37/82/840863782.db2.gz QXKLOHQHLHVZIY-SNVBAGLBSA-N 2 2 282.392 0.222 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001148642935 840863796 /nfs/dbraw/zinc/86/37/96/840863796.db2.gz QXKLOHQHLHVZIY-SNVBAGLBSA-N 2 2 282.392 0.222 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001148638962 840873374 /nfs/dbraw/zinc/87/33/74/840873374.db2.gz VLSZQKKPHPIYTB-UHFFFAOYSA-N 2 2 295.387 0.495 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001148638962 840873383 /nfs/dbraw/zinc/87/33/83/840873383.db2.gz VLSZQKKPHPIYTB-UHFFFAOYSA-N 2 2 295.387 0.495 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@@H]2[C@H](CC[N@H+]2CCO)C1 ZINC001036734306 841151586 /nfs/dbraw/zinc/15/15/86/841151586.db2.gz POFFADSGKORLJJ-TZMCWYRMSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@@H]2[C@H](CC[N@@H+]2CCO)C1 ZINC001036734306 841151587 /nfs/dbraw/zinc/15/15/87/841151587.db2.gz POFFADSGKORLJJ-TZMCWYRMSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@@H]2[C@H](CC[N@H+]2CCO)C1 ZINC001036734306 841151588 /nfs/dbraw/zinc/15/15/88/841151588.db2.gz POFFADSGKORLJJ-TZMCWYRMSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@@H]2[C@H](CC[N@@H+]2CCO)C1 ZINC001036734306 841151590 /nfs/dbraw/zinc/15/15/90/841151590.db2.gz POFFADSGKORLJJ-TZMCWYRMSA-N 2 2 292.383 0.257 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)CCCCC[NH3+] ZINC000037008689 841369356 /nfs/dbraw/zinc/36/93/56/841369356.db2.gz PJYMAICUMIBTSB-GFCCVEGCSA-N 2 2 257.378 0.342 20 0 CCADLP Cc1nc(NCCCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)cc[nH+]1 ZINC001094796333 841724823 /nfs/dbraw/zinc/72/48/23/841724823.db2.gz JTJIEUVLXJTOCX-WCQYABFASA-N 2 2 291.399 0.901 20 0 CCADLP Cc1nc(NCCCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)cc[nH+]1 ZINC001094796333 841724829 /nfs/dbraw/zinc/72/48/29/841724829.db2.gz JTJIEUVLXJTOCX-WCQYABFASA-N 2 2 291.399 0.901 20 0 CCADLP [NH3+]C[C@@]1([NH2+][C@@H]2CCN(C3CC3)C(=O)C2)CN2CCC1CC2 ZINC001172010626 841790642 /nfs/dbraw/zinc/79/06/42/841790642.db2.gz CARNGWNEIQQWCT-CZUORRHYSA-N 2 2 292.427 0.153 20 0 CCADLP [NH3+]CCC(=O)NCCc1c[nH+]cn1C1C[C@H]2CC[C@@H](C1)O2 ZINC001172224908 841898134 /nfs/dbraw/zinc/89/81/34/841898134.db2.gz XYGDQRKWUJMHTF-AGUYFDCRSA-N 2 2 292.383 0.773 20 0 CCADLP C[NH+]1CCC(CO)([NH2+]C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172237930 841903378 /nfs/dbraw/zinc/90/33/78/841903378.db2.gz PZAYUIPJMRHXNA-YHWZYXNKSA-N 2 2 252.358 0.519 20 0 CCADLP CC[NH+](CC)C1CCC([NH2+][C@H](CO)C(=O)OC)CC1 ZINC001173105124 841997005 /nfs/dbraw/zinc/99/70/05/841997005.db2.gz PRYCXAFDAPPETB-WXRRBKDZSA-N 2 2 272.389 0.763 20 0 CCADLP CC(=O)N=C1C=C[N@@H+](c2ccc(C[NH3+])cc2)C=C1N ZINC001175966917 842296515 /nfs/dbraw/zinc/29/65/15/842296515.db2.gz USMLGOSQFDGWJN-UHFFFAOYSA-N 2 2 256.309 0.965 20 0 CCADLP CC(=O)N=C1C=C[N@H+](c2ccc(C[NH3+])cc2)C=C1N ZINC001175966917 842296526 /nfs/dbraw/zinc/29/65/26/842296526.db2.gz USMLGOSQFDGWJN-UHFFFAOYSA-N 2 2 256.309 0.965 20 0 CCADLP CC(C)(C)[NH+]1CC(NC(=O)CCn2cc[nH+]c2)C1 ZINC001176883078 842439387 /nfs/dbraw/zinc/43/93/87/842439387.db2.gz CQARNLIOMPMHMK-UHFFFAOYSA-N 2 2 250.346 0.872 20 0 CCADLP Cc1ncccc1C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177400762 842575642 /nfs/dbraw/zinc/57/56/42/842575642.db2.gz MEEICMQMHJPOSY-UHFFFAOYSA-N 2 2 287.367 0.883 20 0 CCADLP Cc1nc(C)c(C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)o1 ZINC001177404756 842579392 /nfs/dbraw/zinc/57/93/92/842579392.db2.gz GTHNPGDUUPCMAQ-UHFFFAOYSA-N 2 2 291.355 0.784 20 0 CCADLP CC(C)OCCC[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177411359 842584424 /nfs/dbraw/zinc/58/44/24/842584424.db2.gz KTMRFDLXJYHVNA-UHFFFAOYSA-N 2 2 282.388 0.794 20 0 CCADLP C[NH+](C)CCNC(=S)NCc1c[nH+]c2ccc(F)cn12 ZINC001249853711 842734722 /nfs/dbraw/zinc/73/47/22/842734722.db2.gz TWMITJHVDWPMJW-UHFFFAOYSA-N 2 2 295.387 0.999 20 0 CCADLP C[NH+](C)C[C@H]1COCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178105594 842758848 /nfs/dbraw/zinc/75/88/48/842758848.db2.gz YGRHLKWVVIZBIP-OLZOCXBDSA-N 2 2 292.383 0.235 20 0 CCADLP COCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001179929638 843083309 /nfs/dbraw/zinc/08/33/09/843083309.db2.gz SCEQOOJRWDMINP-JSGCOSHPSA-N 2 2 294.399 0.578 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001180006705 843097411 /nfs/dbraw/zinc/09/74/11/843097411.db2.gz FCLDKAMPEADIDF-DRZSPHRISA-N 2 2 294.399 0.875 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCCC2)CC1 ZINC001180578968 843194571 /nfs/dbraw/zinc/19/45/71/843194571.db2.gz JATOCZSUYZVFOF-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP C[NH+](C)CC1(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CCCC1 ZINC001206455032 843522554 /nfs/dbraw/zinc/52/25/54/843522554.db2.gz IUGCOXPRMKULPL-QWHCGFSZSA-N 3 2 255.406 0.360 20 0 CCADLP C[NH+](C)CC1(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)CCCC1 ZINC001206455032 843522560 /nfs/dbraw/zinc/52/25/60/843522560.db2.gz IUGCOXPRMKULPL-QWHCGFSZSA-N 3 2 255.406 0.360 20 0 CCADLP COc1cc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)ccc1OC(C)=O ZINC001206464004 843623808 /nfs/dbraw/zinc/62/38/08/843623808.db2.gz IHJSIOHWUOBISF-QWHCGFSZSA-N 2 2 294.351 0.372 20 0 CCADLP COc1cc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)ccc1OC(C)=O ZINC001206464004 843623814 /nfs/dbraw/zinc/62/38/14/843623814.db2.gz IHJSIOHWUOBISF-QWHCGFSZSA-N 2 2 294.351 0.372 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC001181971584 843674440 /nfs/dbraw/zinc/67/44/40/843674440.db2.gz ABLKPXQHMUSZIB-LBPRGKRZSA-N 2 2 250.346 0.730 20 0 CCADLP CC(C)[N@H+]1CC[C@H](C(=O)NCCn2cc[nH+]c2)C1 ZINC001181971584 843674446 /nfs/dbraw/zinc/67/44/46/843674446.db2.gz ABLKPXQHMUSZIB-LBPRGKRZSA-N 2 2 250.346 0.730 20 0 CCADLP O=C(NCCOc1cc[nH+]cc1)[C@H]1C[NH+]2CCC1CC2 ZINC001182013431 843692666 /nfs/dbraw/zinc/69/26/66/843692666.db2.gz CXNQXRZGSPOMIW-AWEZNQCLSA-N 2 2 275.352 0.918 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2cnc(C3CC3)s2)C[C@H]1O ZINC001206492553 843760754 /nfs/dbraw/zinc/76/07/54/843760754.db2.gz WVFUCRFPDZSKAH-GXSJLCMTSA-N 2 2 253.371 0.772 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2cnc(C3CC3)s2)C[C@H]1O ZINC001206492553 843760759 /nfs/dbraw/zinc/76/07/59/843760759.db2.gz WVFUCRFPDZSKAH-GXSJLCMTSA-N 2 2 253.371 0.772 20 0 CCADLP C[NH+](C)CC1(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CCCC1 ZINC001206512106 843820933 /nfs/dbraw/zinc/82/09/33/843820933.db2.gz IUGCOXPRMKULPL-STQMWFEESA-N 3 2 255.406 0.360 20 0 CCADLP C[NH+](C)CC1(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CCCC1 ZINC001206512106 843820939 /nfs/dbraw/zinc/82/09/39/843820939.db2.gz IUGCOXPRMKULPL-STQMWFEESA-N 3 2 255.406 0.360 20 0 CCADLP CC(C)[C@H](C(=O)NCC1([NH+]2CCCC2)COC1)[NH+](C)C ZINC001183365402 844007400 /nfs/dbraw/zinc/00/74/00/844007400.db2.gz JWKHYWXNFZZYBI-CYBMUJFWSA-N 2 2 283.416 0.554 20 0 CCADLP COCCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001187092220 844649515 /nfs/dbraw/zinc/64/95/15/844649515.db2.gz RNDSXXZIZXORNY-GFCCVEGCSA-N 2 2 294.399 0.914 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001187523329 844735250 /nfs/dbraw/zinc/73/52/50/844735250.db2.gz YQVGKSSJSNVWFP-CHWSQXEVSA-N 2 2 294.399 0.578 20 0 CCADLP CC(C)=CC[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001151815680 845223938 /nfs/dbraw/zinc/22/39/38/845223938.db2.gz YXUCZQDLYUVNAJ-OAHLLOKOSA-N 2 2 295.427 0.769 20 0 CCADLP COCCC[N@H+](C)[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193693949 846144781 /nfs/dbraw/zinc/14/47/81/846144781.db2.gz AHEQOOCPLPPCDV-ZDUSSCGKSA-N 2 2 294.399 0.830 20 0 CCADLP COCCC[N@@H+](C)[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193693949 846144783 /nfs/dbraw/zinc/14/47/83/846144783.db2.gz AHEQOOCPLPPCDV-ZDUSSCGKSA-N 2 2 294.399 0.830 20 0 CCADLP C[NH+](C)CC(C)(C)C[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205664865 846293393 /nfs/dbraw/zinc/29/33/93/846293393.db2.gz PELAOQLAAWKHLQ-AWEZNQCLSA-N 3 2 257.422 0.750 20 0 CCADLP C[NH+](C)CC(C)(C)C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205664865 846293400 /nfs/dbraw/zinc/29/34/00/846293400.db2.gz PELAOQLAAWKHLQ-AWEZNQCLSA-N 3 2 257.422 0.750 20 0 CCADLP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001196498985 846765515 /nfs/dbraw/zinc/76/55/15/846765515.db2.gz JNRDUGIEKCBDQX-QJPTWQEYSA-N 2 2 266.345 0.015 20 0 CCADLP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001196498985 846765529 /nfs/dbraw/zinc/76/55/29/846765529.db2.gz JNRDUGIEKCBDQX-QJPTWQEYSA-N 2 2 266.345 0.015 20 0 CCADLP Cn1nccc1C[N@@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197029549 846834158 /nfs/dbraw/zinc/83/41/58/846834158.db2.gz VUSYOIPETBIWIJ-UHFFFAOYSA-N 2 2 293.415 0.406 20 0 CCADLP Cn1nccc1C[N@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197029549 846834160 /nfs/dbraw/zinc/83/41/60/846834160.db2.gz VUSYOIPETBIWIJ-UHFFFAOYSA-N 2 2 293.415 0.406 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CCC[NH+](CCF)CC1 ZINC001197913874 847002552 /nfs/dbraw/zinc/00/25/52/847002552.db2.gz HCYKQIWBLVAFDY-UHFFFAOYSA-N 2 2 259.369 0.832 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CCC[NH+](CCF)CC1 ZINC001197913874 847002560 /nfs/dbraw/zinc/00/25/60/847002560.db2.gz HCYKQIWBLVAFDY-UHFFFAOYSA-N 2 2 259.369 0.832 20 0 CCADLP CCC[NH+](C)CC(=O)N1CCC[N@H+](CCF)CC1 ZINC001197913874 847002568 /nfs/dbraw/zinc/00/25/68/847002568.db2.gz HCYKQIWBLVAFDY-UHFFFAOYSA-N 2 2 259.369 0.832 20 0 CCADLP CO[C@@H](C)CNC(=O)c1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001199360827 847308714 /nfs/dbraw/zinc/30/87/14/847308714.db2.gz WRQDVVPJDJRRJH-LBPRGKRZSA-N 2 2 292.383 0.598 20 0 CCADLP CCn1ccnc1C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC001200161381 847549316 /nfs/dbraw/zinc/54/93/16/847549316.db2.gz FXYRCWUXJIBSRD-ZDUSSCGKSA-N 2 2 265.405 0.629 20 0 CCADLP CCc1onc(C)c1C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153496198 848011868 /nfs/dbraw/zinc/01/18/68/848011868.db2.gz VSKFDFOZOSOVCA-UHFFFAOYSA-N 2 2 291.355 0.648 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+]C[C@H](O)c1cccc(O)c1 ZINC001253207977 848159832 /nfs/dbraw/zinc/15/98/32/848159832.db2.gz MFRHGAGHMLZBSD-GJZGRUSLSA-N 2 2 282.384 0.718 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([NH2+]CCCF)CC1 ZINC001202668173 848205690 /nfs/dbraw/zinc/20/56/90/848205690.db2.gz QYUKFSOBVADJTB-UHFFFAOYSA-N 2 2 268.336 0.892 20 0 CCADLP CCC[NH2+]CC1(NC(=O)CCn2cc[nH+]c2)CCOCC1 ZINC001273987878 848207464 /nfs/dbraw/zinc/20/74/64/848207464.db2.gz TXFMTDVSSDAFMT-UHFFFAOYSA-N 2 2 294.399 0.938 20 0 CCADLP Cc1nonc1C[NH2+]C/C=C/CNC(=O)C[N@@H+](C)C(C)C ZINC001274608122 848519586 /nfs/dbraw/zinc/51/95/86/848519586.db2.gz DMTXCDLLVPFQEF-AATRIKPKSA-N 2 2 295.387 0.480 20 0 CCADLP Cc1nonc1C[NH2+]C/C=C/CNC(=O)C[N@H+](C)C(C)C ZINC001274608122 848519612 /nfs/dbraw/zinc/51/96/12/848519612.db2.gz DMTXCDLLVPFQEF-AATRIKPKSA-N 2 2 295.387 0.480 20 0 CCADLP C[C@H](C[NH2+]CC[C@H]1CCCO1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001274967533 848603665 /nfs/dbraw/zinc/60/36/65/848603665.db2.gz IJPKUHYZXVDHTL-VXGBXAGGSA-N 2 2 280.372 0.616 20 0 CCADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)CN1CC[NH2+]CC1 ZINC000037631302 848737978 /nfs/dbraw/zinc/73/79/78/848737978.db2.gz KBZNJMPTSYLDDU-CYBMUJFWSA-N 2 2 293.415 0.319 20 0 CCADLP C[C@H](C[N@H+](C)CCO)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001275673052 848788915 /nfs/dbraw/zinc/78/89/15/848788915.db2.gz ONVIBYPCPCNFCU-WDEREUQCSA-N 2 2 268.361 0.017 20 0 CCADLP C[C@H](C[N@@H+](C)CCO)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001275673052 848788917 /nfs/dbraw/zinc/78/89/17/848788917.db2.gz ONVIBYPCPCNFCU-WDEREUQCSA-N 2 2 268.361 0.017 20 0 CCADLP C[C@H](C[N@H+](C)CCO)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001275673052 848788922 /nfs/dbraw/zinc/78/89/22/848788922.db2.gz ONVIBYPCPCNFCU-WDEREUQCSA-N 2 2 268.361 0.017 20 0 CCADLP C[C@H](C[N@@H+](C)CCO)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001275673052 848788926 /nfs/dbraw/zinc/78/89/26/848788926.db2.gz ONVIBYPCPCNFCU-WDEREUQCSA-N 2 2 268.361 0.017 20 0 CCADLP CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001275865906 848852187 /nfs/dbraw/zinc/85/21/87/848852187.db2.gz PZNWDJZKZYNRLP-VXGBXAGGSA-N 2 2 264.373 0.902 20 0 CCADLP CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001275865906 848852194 /nfs/dbraw/zinc/85/21/94/848852194.db2.gz PZNWDJZKZYNRLP-VXGBXAGGSA-N 2 2 264.373 0.902 20 0 CCADLP C[C@H]1C[C@@H]1C[N@H+]1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001276034168 848899588 /nfs/dbraw/zinc/89/95/88/848899588.db2.gz XWIDYGQXSQXGQK-JJXSEGSLSA-N 2 2 290.411 0.924 20 0 CCADLP C[C@H]1C[C@@H]1C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001276034168 848899593 /nfs/dbraw/zinc/89/95/93/848899593.db2.gz XWIDYGQXSQXGQK-JJXSEGSLSA-N 2 2 290.411 0.924 20 0 CCADLP C[C@@H]1C[C@@H]1C[N@@H+]1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001276034339 848899891 /nfs/dbraw/zinc/89/98/91/848899891.db2.gz YQGUHRPEKYMXKB-FPCVCCKLSA-N 2 2 290.411 0.924 20 0 CCADLP C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001276034339 848899896 /nfs/dbraw/zinc/89/98/96/848899896.db2.gz YQGUHRPEKYMXKB-FPCVCCKLSA-N 2 2 290.411 0.924 20 0 CCADLP C[N@@H+]1C[C@H]2C(=O)NC3(CC[NH+](Cc4ccon4)CC3)[C@@H]2C1 ZINC001276066611 848914799 /nfs/dbraw/zinc/91/47/99/848914799.db2.gz MWPQGXZTEXRZCP-CHWSQXEVSA-N 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CCCCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001100048490 855084935 /nfs/dbraw/zinc/08/49/35/855084935.db2.gz MPPPDZHGNCJBJU-QWHCGFSZSA-N 2 2 294.399 0.694 20 0 CCADLP CCCCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001100048490 855084941 /nfs/dbraw/zinc/08/49/41/855084941.db2.gz MPPPDZHGNCJBJU-QWHCGFSZSA-N 2 2 294.399 0.694 20 0 CCADLP c1cnc(N2CC([NH2+]C3CC[NH+](C4CC4)CC3)C2)nc1 ZINC001256069581 855153997 /nfs/dbraw/zinc/15/39/97/855153997.db2.gz HOZHNDNBDSNOIA-UHFFFAOYSA-N 2 2 273.384 0.882 20 0 CCADLP CCC[NH2+]C1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001100791349 855225604 /nfs/dbraw/zinc/22/56/04/855225604.db2.gz KHGJYWYZIOKXGE-UHFFFAOYSA-N 2 2 250.346 0.847 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC1CC([NH2+]CCF)C1 ZINC001100871376 855233208 /nfs/dbraw/zinc/23/32/08/855233208.db2.gz OTKRMLHOJNUHRP-UHFFFAOYSA-N 2 2 268.336 0.417 20 0 CCADLP CC(C)OCC[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001101069775 855258917 /nfs/dbraw/zinc/25/89/17/855258917.db2.gz 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ZINC001103574364 855523224 /nfs/dbraw/zinc/52/32/24/855523224.db2.gz LWDFWFIFEGBKKQ-VXGBXAGGSA-N 2 2 282.363 0.996 20 0 CCADLP C[C@@H]1C[N@@H+](CCF)C[C@H]1CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001103574364 855523228 /nfs/dbraw/zinc/52/32/28/855523228.db2.gz LWDFWFIFEGBKKQ-VXGBXAGGSA-N 2 2 282.363 0.996 20 0 CCADLP CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC001115020545 855635405 /nfs/dbraw/zinc/63/54/05/855635405.db2.gz LDAIALYEAOCVBP-YABSGUDNSA-N 2 2 278.356 0.035 20 0 CCADLP CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC001115020545 855635409 /nfs/dbraw/zinc/63/54/09/855635409.db2.gz LDAIALYEAOCVBP-YABSGUDNSA-N 2 2 278.356 0.035 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([NH+](C)C)CC1 ZINC001116869040 855852459 /nfs/dbraw/zinc/85/24/59/855852459.db2.gz YEIRPWRLVHHDRG-UHFFFAOYSA-N 2 2 250.346 0.813 20 0 CCADLP CC(=O)N1CCC([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC001117630739 856028933 /nfs/dbraw/zinc/02/89/33/856028933.db2.gz BCTFQDYFVRFQFD-LBPRGKRZSA-N 2 2 262.357 0.868 20 0 CCADLP C[NH2+]CCC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001118136331 856172222 /nfs/dbraw/zinc/17/22/22/856172222.db2.gz RHGJXVKOPDYAAQ-GFCCVEGCSA-N 2 2 264.373 0.811 20 0 CCADLP C[C@H](C(=O)NCC1(C)CC[NH2+]CC1)n1cc[nH+]c1 ZINC001118280989 856242540 /nfs/dbraw/zinc/24/25/40/856242540.db2.gz DTNJOZSQXCUFPB-LLVKDONJSA-N 2 2 250.346 0.950 20 0 CCADLP [NH3+][C@@H](c1cn(CCn2cc[nH+]c2)nn1)[C@H]1CCCO1 ZINC001119279717 856609459 /nfs/dbraw/zinc/60/94/59/856609459.db2.gz KMCZLIJDDYLAFG-NEPJUHHUSA-N 2 2 262.317 0.354 20 0 CCADLP C[C@H]1CCC[C@@H]1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001120503884 857097280 /nfs/dbraw/zinc/09/72/80/857097280.db2.gz BDDMVFHNFCDXKL-AAEUAGOBSA-N 2 2 268.405 0.897 20 0 CCADLP Cc1conc1C[NH2+]C1(CNC(=O)CC[NH+](C)C)CC1 ZINC001392928596 912272122 /nfs/dbraw/zinc/27/21/22/912272122.db2.gz KGXDHGQOHRXIKP-UHFFFAOYSA-N 2 2 280.372 0.673 20 0 CCADLP CCOCC[N@@H+]1CC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001323340816 912282503 /nfs/dbraw/zinc/28/25/03/912282503.db2.gz QJQUREHFEVSAQE-GFCCVEGCSA-N 2 2 280.372 0.488 20 0 CCADLP CCOCC[N@H+]1CC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001323340816 912282522 /nfs/dbraw/zinc/28/25/22/912282522.db2.gz QJQUREHFEVSAQE-GFCCVEGCSA-N 2 2 280.372 0.488 20 0 CCADLP C[C@@]1(CNC(=O)Cc2c[nH]c[nH+]2)CCC[N@H+](CCCO)C1 ZINC001393207572 912436476 /nfs/dbraw/zinc/43/64/76/912436476.db2.gz WBRVQDFEBWNSPU-HNNXBMFYSA-N 2 2 294.399 0.553 20 0 CCADLP C[C@@]1(CNC(=O)Cc2c[nH]c[nH+]2)CCC[N@@H+](CCCO)C1 ZINC001393207572 912436486 /nfs/dbraw/zinc/43/64/86/912436486.db2.gz WBRVQDFEBWNSPU-HNNXBMFYSA-N 2 2 294.399 0.553 20 0 CCADLP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)o1 ZINC001393751523 912738831 /nfs/dbraw/zinc/73/88/31/912738831.db2.gz SGJMTYPIHXASAT-CMPLNLGQSA-N 2 2 295.387 0.266 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC(=O)NC ZINC001394067249 912967813 /nfs/dbraw/zinc/96/78/13/912967813.db2.gz ORZVIZZQPLXFOT-OLZOCXBDSA-N 2 2 298.431 0.043 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC(=O)NC ZINC001394067249 912967824 /nfs/dbraw/zinc/96/78/24/912967824.db2.gz ORZVIZZQPLXFOT-OLZOCXBDSA-N 2 2 298.431 0.043 20 0 CCADLP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC ZINC001394067249 912967832 /nfs/dbraw/zinc/96/78/32/912967832.db2.gz ORZVIZZQPLXFOT-OLZOCXBDSA-N 2 2 298.431 0.043 20 0 CCADLP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC ZINC001394067249 912967839 /nfs/dbraw/zinc/96/78/39/912967839.db2.gz ORZVIZZQPLXFOT-OLZOCXBDSA-N 2 2 298.431 0.043 20 0 CCADLP COCC[NH+]1CC([C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001394227262 913084319 /nfs/dbraw/zinc/08/43/19/913084319.db2.gz UDGDXLIMVCDKDL-LLVKDONJSA-N 2 2 280.372 0.425 20 0 CCADLP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC001394711737 913382374 /nfs/dbraw/zinc/38/23/74/913382374.db2.gz OHKQNRXEUMDMHQ-NWDGAFQWSA-N 2 2 294.399 0.814 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1[C@H]2C[N@H+](CCCF)C[C@H]21 ZINC001114956375 891416093 /nfs/dbraw/zinc/41/60/93/891416093.db2.gz GISOARJTJZNFNS-ZZVYKPCYSA-N 2 2 294.374 0.994 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCF)C[C@H]21 ZINC001114956375 891416103 /nfs/dbraw/zinc/41/61/03/891416103.db2.gz GISOARJTJZNFNS-ZZVYKPCYSA-N 2 2 294.374 0.994 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1[C@H]2C[N@H+](CCCF)C[C@H]21 ZINC001114956375 891416115 /nfs/dbraw/zinc/41/61/15/891416115.db2.gz GISOARJTJZNFNS-ZZVYKPCYSA-N 2 2 294.374 0.994 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCF)C[C@H]21 ZINC001114956375 891416122 /nfs/dbraw/zinc/41/61/22/891416122.db2.gz GISOARJTJZNFNS-ZZVYKPCYSA-N 2 2 294.374 0.994 20 0 CCADLP C[C@H](O)CCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001266569903 891558454 /nfs/dbraw/zinc/55/84/54/891558454.db2.gz PSTDYMLOUHYPLS-STQMWFEESA-N 2 2 280.372 0.235 20 0 CCADLP CCc1nnc(C[NH2+]CCN(C)C(=O)[C@@H](CC)[NH+](C)C)o1 ZINC001267456649 891915134 /nfs/dbraw/zinc/91/51/34/891915134.db2.gz FGKAOPYNFVBWMU-LLVKDONJSA-N 2 2 297.403 0.520 20 0 CCADLP C[C@@H](CC(=O)NC[C@@H]1CCC[N@@H+]1CCO)n1cc[nH+]c1 ZINC001481059233 892119056 /nfs/dbraw/zinc/11/90/56/892119056.db2.gz MQUAWUFNYJKFGI-STQMWFEESA-N 2 2 280.372 0.407 20 0 CCADLP C[C@@H](CC(=O)NC[C@@H]1CCC[N@H+]1CCO)n1cc[nH+]c1 ZINC001481059233 892119060 /nfs/dbraw/zinc/11/90/60/892119060.db2.gz MQUAWUFNYJKFGI-STQMWFEESA-N 2 2 280.372 0.407 20 0 CCADLP C[C@H](CC(=O)NC[C@@H]1CCC[N@@H+]1CCO)n1cc[nH+]c1 ZINC001481059229 892120191 /nfs/dbraw/zinc/12/01/91/892120191.db2.gz MQUAWUFNYJKFGI-OLZOCXBDSA-N 2 2 280.372 0.407 20 0 CCADLP C[C@H](CC(=O)NC[C@@H]1CCC[N@H+]1CCO)n1cc[nH+]c1 ZINC001481059229 892120206 /nfs/dbraw/zinc/12/02/06/892120206.db2.gz MQUAWUFNYJKFGI-OLZOCXBDSA-N 2 2 280.372 0.407 20 0 CCADLP COCC[N@@H+]1CC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001481095859 892159140 /nfs/dbraw/zinc/15/91/40/892159140.db2.gz MFCIXNSVCMLEPL-GFCCVEGCSA-N 2 2 280.372 0.427 20 0 CCADLP COCC[N@H+]1CC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001481095859 892159150 /nfs/dbraw/zinc/15/91/50/892159150.db2.gz MFCIXNSVCMLEPL-GFCCVEGCSA-N 2 2 280.372 0.427 20 0 CCADLP COCC[N@@H+]1CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001481095859 892159160 /nfs/dbraw/zinc/15/91/60/892159160.db2.gz MFCIXNSVCMLEPL-GFCCVEGCSA-N 2 2 280.372 0.427 20 0 CCADLP COCC[N@H+]1CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001481095859 892159174 /nfs/dbraw/zinc/15/91/74/892159174.db2.gz MFCIXNSVCMLEPL-GFCCVEGCSA-N 2 2 280.372 0.427 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001481104039 892167973 /nfs/dbraw/zinc/16/79/73/892167973.db2.gz PTJONVKXQSIFQH-QWHCGFSZSA-N 2 2 294.399 0.172 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001481104039 892167980 /nfs/dbraw/zinc/16/79/80/892167980.db2.gz PTJONVKXQSIFQH-QWHCGFSZSA-N 2 2 294.399 0.172 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+][C@@H](C)c1csnn1 ZINC001481319774 892575881 /nfs/dbraw/zinc/57/58/81/892575881.db2.gz NIMVKKAWPDNSRG-NSHDSACASA-N 2 2 299.444 0.987 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH2+][C@@H](C)c1csnn1 ZINC001481319774 892575892 /nfs/dbraw/zinc/57/58/92/892575892.db2.gz NIMVKKAWPDNSRG-NSHDSACASA-N 2 2 299.444 0.987 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001481646015 892961104 /nfs/dbraw/zinc/96/11/04/892961104.db2.gz DZAVZSQFKXYFFW-JTQLQIEISA-N 2 2 266.345 0.035 20 0 CCADLP C[C@H](CNC(=O)CCc1[nH+]ccn1C)C[NH2+]C[C@H](C)O ZINC001482124793 893412792 /nfs/dbraw/zinc/41/27/92/893412792.db2.gz BSOPZWUNHMCXSI-RYUDHWBXSA-N 2 2 282.388 0.075 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001362099674 893509827 /nfs/dbraw/zinc/50/98/27/893509827.db2.gz NIXNPQABFKNHEG-MGPQQGTHSA-N 2 2 281.400 0.138 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001362099674 893509842 /nfs/dbraw/zinc/50/98/42/893509842.db2.gz NIXNPQABFKNHEG-MGPQQGTHSA-N 2 2 281.400 0.138 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@H+](C)CC1(C)C ZINC001362586105 893600530 /nfs/dbraw/zinc/60/05/30/893600530.db2.gz FGTMOTXKGKKROM-CYBMUJFWSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@@H+](C)CC1(C)C ZINC001362586105 893600536 /nfs/dbraw/zinc/60/05/36/893600536.db2.gz FGTMOTXKGKKROM-CYBMUJFWSA-N 2 2 283.416 0.507 20 0 CCADLP COCC[N@H+](C)CCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001482609334 894398259 /nfs/dbraw/zinc/39/82/59/894398259.db2.gz SLSQLTNDPNUCTB-ZDUSSCGKSA-N 2 2 294.399 0.482 20 0 CCADLP COCC[N@@H+](C)CCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001482609334 894398272 /nfs/dbraw/zinc/39/82/72/894398272.db2.gz SLSQLTNDPNUCTB-ZDUSSCGKSA-N 2 2 294.399 0.482 20 0 CCADLP C[C@H](O)C[N@H+](C)CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001482632640 894434939 /nfs/dbraw/zinc/43/49/39/894434939.db2.gz RAFNRSJDCJCQGZ-STQMWFEESA-N 2 2 282.388 0.605 20 0 CCADLP C[C@H](O)C[N@@H+](C)CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001482632640 894434948 /nfs/dbraw/zinc/43/49/48/894434948.db2.gz RAFNRSJDCJCQGZ-STQMWFEESA-N 2 2 282.388 0.605 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCCO ZINC001482692477 894492432 /nfs/dbraw/zinc/49/24/32/894492432.db2.gz JBFUGZQQIUNJJF-GXTWGEPZSA-N 2 2 294.399 0.220 20 0 CCADLP CCN(CC[NH2+]CCn1cccn1)C(=O)Cn1cc[nH+]c1 ZINC001482971922 894735889 /nfs/dbraw/zinc/73/58/89/894735889.db2.gz PEXSLDKNDXGKGB-UHFFFAOYSA-N 2 2 290.371 0.218 20 0 CCADLP CO[C@@H](C)C[NH2+]C/C=C/CNC(=O)Cc1c[nH]c[nH+]1 ZINC001483064184 894868668 /nfs/dbraw/zinc/86/86/68/894868668.db2.gz HIBBGFAJIYOWDS-UFFNRZRYSA-N 2 2 266.345 0.249 20 0 CCADLP CC(C)[NH+]1CC(CCO)(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001409750927 895359679 /nfs/dbraw/zinc/35/96/79/895359679.db2.gz KXLMHWYNBADVNK-KBPBESRZSA-N 2 2 297.443 0.821 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCCC[C@@H]1C[NH2+]CCCO ZINC001483444032 895569210 /nfs/dbraw/zinc/56/92/10/895569210.db2.gz RCLOQRSXNYGXAT-OLZOCXBDSA-N 2 2 294.399 0.599 20 0 CCADLP CN(CCC[NH2+]Cc1ccccn1)C(=O)Cc1c[nH+]c[nH]1 ZINC001483494371 895611618 /nfs/dbraw/zinc/61/16/18/895611618.db2.gz FXOZNAIDMPGZCR-UHFFFAOYSA-N 2 2 287.367 0.986 20 0 CCADLP CCC[NH2+]C[C@@H](NC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001483599165 895672102 /nfs/dbraw/zinc/67/21/02/895672102.db2.gz QLSMYZHSLOKMAV-CYBMUJFWSA-N 2 2 264.373 0.857 20 0 CCADLP COCC[NH2+]C1(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001483746976 895977590 /nfs/dbraw/zinc/97/75/90/895977590.db2.gz DBMNCOGXFWYQLD-GFCCVEGCSA-N 2 2 292.383 0.330 20 0 CCADLP CCOCC[NH+]1CC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001483863632 896088739 /nfs/dbraw/zinc/08/87/39/896088739.db2.gz BNGKGFAWQKUXKH-OAHLLOKOSA-N 2 2 295.427 0.507 20 0 CCADLP CC[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCOCC1 ZINC001484189355 896228140 /nfs/dbraw/zinc/22/81/40/896228140.db2.gz QEYKEUJSXQJVBE-UHFFFAOYSA-N 2 2 266.345 0.227 20 0 CCADLP CC[C@H](C(=O)NCC1(O)C[NH+](CC=C(C)C)C1)[NH+](C)C ZINC001484279999 896315006 /nfs/dbraw/zinc/31/50/06/896315006.db2.gz TTWHHYOWNZZPFG-CYBMUJFWSA-N 2 2 283.416 0.456 20 0 CCADLP CC(C)[NH2+]CCN(CCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001484495053 896443389 /nfs/dbraw/zinc/44/33/89/896443389.db2.gz ZOQRSEZAMONLGU-CHWSQXEVSA-N 2 2 294.399 0.343 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@@H+](C)C(C)C)CO2 ZINC001484806193 896612792 /nfs/dbraw/zinc/61/27/92/896612792.db2.gz ZXUXSLDJVTVZPV-LBPRGKRZSA-N 2 2 269.389 0.306 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001484975355 896692460 /nfs/dbraw/zinc/69/24/60/896692460.db2.gz FERFNSMUIZAGAJ-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001484975355 896692466 /nfs/dbraw/zinc/69/24/66/896692466.db2.gz FERFNSMUIZAGAJ-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP COCC[N@H+](C)[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001485365515 896995696 /nfs/dbraw/zinc/99/56/96/896995696.db2.gz MTDHRCHLWMVNCZ-JTQLQIEISA-N 2 2 254.334 0.035 20 0 CCADLP COCC[N@@H+](C)[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001485365515 896995709 /nfs/dbraw/zinc/99/57/09/896995709.db2.gz MTDHRCHLWMVNCZ-JTQLQIEISA-N 2 2 254.334 0.035 20 0 CCADLP C[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1C ZINC001326770457 914154297 /nfs/dbraw/zinc/15/42/97/914154297.db2.gz MZQAUYNPZHWBCS-WDEREUQCSA-N 2 2 250.346 0.562 20 0 CCADLP C[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1C ZINC001326770457 914154304 /nfs/dbraw/zinc/15/43/04/914154304.db2.gz MZQAUYNPZHWBCS-WDEREUQCSA-N 2 2 250.346 0.562 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1C ZINC001326770453 914154998 /nfs/dbraw/zinc/15/49/98/914154998.db2.gz MZQAUYNPZHWBCS-GHMZBOCLSA-N 2 2 250.346 0.562 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1C ZINC001326770453 914155001 /nfs/dbraw/zinc/15/50/01/914155001.db2.gz MZQAUYNPZHWBCS-GHMZBOCLSA-N 2 2 250.346 0.562 20 0 CCADLP CC(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC001032650997 897895632 /nfs/dbraw/zinc/89/56/32/897895632.db2.gz DVDSALIZTIKHQO-STQMWFEESA-N 2 2 262.357 0.893 20 0 CCADLP CC(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC001032650997 897895640 /nfs/dbraw/zinc/89/56/40/897895640.db2.gz DVDSALIZTIKHQO-STQMWFEESA-N 2 2 262.357 0.893 20 0 CCADLP CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001032731770 898028416 /nfs/dbraw/zinc/02/84/16/898028416.db2.gz LGKMIDAEFZIVNV-QWRGUYRKSA-N 2 2 262.357 0.992 20 0 CCADLP CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001032731770 898028427 /nfs/dbraw/zinc/02/84/27/898028427.db2.gz LGKMIDAEFZIVNV-QWRGUYRKSA-N 2 2 262.357 0.992 20 0 CCADLP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1nncs1 ZINC001485955920 898520276 /nfs/dbraw/zinc/52/02/76/898520276.db2.gz RQSHLEWGRKFQGK-NSHDSACASA-N 2 2 297.428 0.570 20 0 CCADLP CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001486350787 898810002 /nfs/dbraw/zinc/81/00/02/898810002.db2.gz MMSWKIPEXYMKQS-YNEHKIRRSA-N 2 2 294.399 0.295 20 0 CCADLP CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001486350787 898810014 /nfs/dbraw/zinc/81/00/14/898810014.db2.gz MMSWKIPEXYMKQS-YNEHKIRRSA-N 2 2 294.399 0.295 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001494506859 899122856 /nfs/dbraw/zinc/12/28/56/899122856.db2.gz GEFLLPMBLDFTMV-UKRRQHHQSA-N 2 2 297.443 0.942 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001494506860 899124250 /nfs/dbraw/zinc/12/42/50/899124250.db2.gz GEFLLPMBLDFTMV-ZFWWWQNUSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001410213018 899282146 /nfs/dbraw/zinc/28/21/46/899282146.db2.gz XVYBZVZNXHGHRH-AVGNSLFASA-N 2 2 280.372 0.138 20 0 CCADLP Cc1noc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001410491308 899438208 /nfs/dbraw/zinc/43/82/08/899438208.db2.gz KKFHTGHPTWKFIN-PWSUYJOCSA-N 2 2 295.387 0.266 20 0 CCADLP Cc1noc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001410491308 899438213 /nfs/dbraw/zinc/43/82/13/899438213.db2.gz KKFHTGHPTWKFIN-PWSUYJOCSA-N 2 2 295.387 0.266 20 0 CCADLP CC(C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001411183650 899717395 /nfs/dbraw/zinc/71/73/95/899717395.db2.gz FYBBKLMDEALNHU-CYBMUJFWSA-N 2 2 282.388 0.290 20 0 CCADLP CC(C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001411183650 899717400 /nfs/dbraw/zinc/71/74/00/899717400.db2.gz FYBBKLMDEALNHU-CYBMUJFWSA-N 2 2 282.388 0.290 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CCOCC1CC1 ZINC001134397720 899834513 /nfs/dbraw/zinc/83/45/13/899834513.db2.gz VCUDSGDPPGRPHL-UHFFFAOYSA-N 2 2 266.345 0.085 20 0 CCADLP C[C@@H]([NH2+]CCCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001175874374 899971022 /nfs/dbraw/zinc/97/10/22/899971022.db2.gz SEOOTOOOANMCNF-WDEREUQCSA-N 2 2 295.387 0.091 20 0 CCADLP CC[N@H+]1Cc2nccn2C[C@@H](CN2CC[NH+](C)CC2)C1 ZINC001201580122 900264622 /nfs/dbraw/zinc/26/46/22/900264622.db2.gz BOVZHXUOJZPUEJ-CQSZACIVSA-N 2 2 277.416 0.582 20 0 CCADLP CC[N@@H+]1Cc2nccn2C[C@@H](CN2CC[NH+](C)CC2)C1 ZINC001201580122 900264635 /nfs/dbraw/zinc/26/46/35/900264635.db2.gz BOVZHXUOJZPUEJ-CQSZACIVSA-N 2 2 277.416 0.582 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1C[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001488882801 900412510 /nfs/dbraw/zinc/41/25/10/900412510.db2.gz IJKABLSDXPXXSF-IHRRRGAJSA-N 2 2 292.383 0.404 20 0 CCADLP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1nncs1 ZINC001448655738 901370333 /nfs/dbraw/zinc/37/03/33/901370333.db2.gz HLWLNADVWGZHRT-QWRGUYRKSA-N 2 2 297.428 0.569 20 0 CCADLP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1nncs1 ZINC001448655738 901370344 /nfs/dbraw/zinc/37/03/44/901370344.db2.gz HLWLNADVWGZHRT-QWRGUYRKSA-N 2 2 297.428 0.569 20 0 CCADLP O=C(N[C@H](CO)Cc1c[nH+]c[nH]1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001412483301 901759681 /nfs/dbraw/zinc/75/96/81/901759681.db2.gz CKHULDSDOOCOTE-BFHYXJOUSA-N 2 2 292.383 0.446 20 0 CCADLP O=C(N[C@H](CO)Cc1c[nH+]c[nH]1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001412483301 901759685 /nfs/dbraw/zinc/75/96/85/901759685.db2.gz CKHULDSDOOCOTE-BFHYXJOUSA-N 2 2 292.383 0.446 20 0 CCADLP Cn1nccc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001413131649 902728150 /nfs/dbraw/zinc/72/81/50/902728150.db2.gz GDCCQMHXJYLPBI-HUUCEWRRSA-N 2 2 278.400 0.888 20 0 CCADLP Cn1nccc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001413131652 902728427 /nfs/dbraw/zinc/72/84/27/902728427.db2.gz GDCCQMHXJYLPBI-LSDHHAIUSA-N 2 2 278.400 0.888 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001398444911 914653598 /nfs/dbraw/zinc/65/35/98/914653598.db2.gz WDZZTERVJMSRTI-MFKMUULPSA-N 2 2 280.372 0.472 20 0 CCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001413689314 903186725 /nfs/dbraw/zinc/18/67/25/903186725.db2.gz MMSMDLYHCCSXPA-NEPJUHHUSA-N 2 2 290.367 0.035 20 0 CCADLP CCOCC[NH2+][C@H]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001491039934 903304455 /nfs/dbraw/zinc/30/44/55/903304455.db2.gz KYMZECGZYXNCED-BETUJISGSA-N 2 2 294.399 0.626 20 0 CCADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1nccn1C ZINC001491543034 903657913 /nfs/dbraw/zinc/65/79/13/903657913.db2.gz MVFDVCZMENYURF-LBPRGKRZSA-N 2 2 290.371 0.301 20 0 CCADLP Cc1nc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)no1 ZINC001398615685 914746144 /nfs/dbraw/zinc/74/61/44/914746144.db2.gz ALHFSJSHPUBDAL-ZMLRMANQSA-N 2 2 295.387 0.628 20 0 CCADLP CCOC(=O)C[N@@H+]1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001276702993 903836794 /nfs/dbraw/zinc/83/67/94/903836794.db2.gz ABUNEFCVIPDVFX-UHFFFAOYSA-N 2 2 283.416 0.509 20 0 CCADLP CCOC(=O)C[N@H+]1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001276702993 903836803 /nfs/dbraw/zinc/83/68/03/903836803.db2.gz ABUNEFCVIPDVFX-UHFFFAOYSA-N 2 2 283.416 0.509 20 0 CCADLP CC[NH2+][C@H]1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001316617054 904399413 /nfs/dbraw/zinc/39/94/13/904399413.db2.gz SKXOGLORMOEQGT-KLPPZKSPSA-N 2 2 250.346 0.847 20 0 CCADLP CC[NH2+][C@H]1C[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001316617054 904399431 /nfs/dbraw/zinc/39/94/31/904399431.db2.gz SKXOGLORMOEQGT-KLPPZKSPSA-N 2 2 250.346 0.847 20 0 CCADLP C[N@H+](CC(=O)NCC[NH+](CC(N)=O)C1CC1)CC(C)(C)C ZINC001377553019 904989104 /nfs/dbraw/zinc/98/91/04/904989104.db2.gz HRAXWGJMAXIOIG-UHFFFAOYSA-N 2 2 298.431 0.030 20 0 CCADLP C[N@@H+](CC(=O)NCC[NH+](CC(N)=O)C1CC1)CC(C)(C)C ZINC001377553019 904989114 /nfs/dbraw/zinc/98/91/14/904989114.db2.gz HRAXWGJMAXIOIG-UHFFFAOYSA-N 2 2 298.431 0.030 20 0 CCADLP C[NH+](CC(=O)NCC[N@H+](CC(N)=O)C1CC1)CC(C)(C)C ZINC001377553019 904989130 /nfs/dbraw/zinc/98/91/30/904989130.db2.gz HRAXWGJMAXIOIG-UHFFFAOYSA-N 2 2 298.431 0.030 20 0 CCADLP C[NH+](CC(=O)NCC[N@@H+](CC(N)=O)C1CC1)CC(C)(C)C ZINC001377553019 904989137 /nfs/dbraw/zinc/98/91/37/904989137.db2.gz HRAXWGJMAXIOIG-UHFFFAOYSA-N 2 2 298.431 0.030 20 0 CCADLP C[C@@H]1CC[C@H](C[NH+]2CC(CNC(=O)Cc3c[nH]c[nH+]3)C2)O1 ZINC001377997851 905312506 /nfs/dbraw/zinc/31/25/06/905312506.db2.gz DBMVCEROXZDYDQ-BXUZGUMPSA-N 2 2 292.383 0.568 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[N@H+](C)CCCF ZINC001378182120 905478407 /nfs/dbraw/zinc/47/84/07/905478407.db2.gz GJNASOOJQWPLAP-LLVKDONJSA-N 2 2 270.352 0.759 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[N@@H+](C)CCCF ZINC001378182120 905478420 /nfs/dbraw/zinc/47/84/20/905478420.db2.gz GJNASOOJQWPLAP-LLVKDONJSA-N 2 2 270.352 0.759 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC1CC[NH+](CCO)CC1 ZINC001378485584 905636751 /nfs/dbraw/zinc/63/67/51/905636751.db2.gz XRCQGDJIXATSKB-UHFFFAOYSA-N 2 2 294.399 0.471 20 0 CCADLP C[C@@H](O)C[NH+]1CC([C@@H](C)NC(=O)CCc2[nH+]ccn2C)C1 ZINC001378534691 905667667 /nfs/dbraw/zinc/66/76/67/905667667.db2.gz KYITWLWCGTWNLL-VXGBXAGGSA-N 2 2 294.399 0.170 20 0 CCADLP CC[C@@H](C)C[N@@H+]1CCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001378666021 905741829 /nfs/dbraw/zinc/74/18/29/905741829.db2.gz FSMGCSAIRUZBGA-KGLIPLIRSA-N 2 2 294.399 0.746 20 0 CCADLP CC[C@@H](C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001378666021 905741844 /nfs/dbraw/zinc/74/18/44/905741844.db2.gz FSMGCSAIRUZBGA-KGLIPLIRSA-N 2 2 294.399 0.746 20 0 CCADLP CC1(C)C[N@H+](CCO)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001378672623 905749728 /nfs/dbraw/zinc/74/97/28/905749728.db2.gz AWDOPDLBOWCCOB-CYBMUJFWSA-N 2 2 294.399 0.482 20 0 CCADLP CC1(C)C[N@@H+](CCO)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001378672623 905749735 /nfs/dbraw/zinc/74/97/35/905749735.db2.gz AWDOPDLBOWCCOB-CYBMUJFWSA-N 2 2 294.399 0.482 20 0 CCADLP C[C@@H](C[NH2+]Cc1csnn1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001378856548 905860949 /nfs/dbraw/zinc/86/09/49/905860949.db2.gz VRIYMNKFQBULLQ-WDEREUQCSA-N 2 2 297.428 0.426 20 0 CCADLP C[C@@H](C[NH2+]Cc1csnn1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001378856548 905860963 /nfs/dbraw/zinc/86/09/63/905860963.db2.gz VRIYMNKFQBULLQ-WDEREUQCSA-N 2 2 297.428 0.426 20 0 CCADLP COC[C@H](C)[NH2+][C@H](C)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001379309404 906134362 /nfs/dbraw/zinc/13/43/62/906134362.db2.gz GOYJHSASVFKYJU-MNOVXSKESA-N 2 2 282.388 0.732 20 0 CCADLP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]C[C@H]1CCOC1 ZINC001379322620 906140190 /nfs/dbraw/zinc/14/01/90/906140190.db2.gz IBDIVVGXVMXFCD-CHWSQXEVSA-N 2 2 280.372 0.356 20 0 CCADLP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1C[N@H+](C)CCN1C ZINC000829178694 906164160 /nfs/dbraw/zinc/16/41/60/906164160.db2.gz CUFKRUKKDJLJTJ-DZGCQCFKSA-N 3 2 268.449 0.552 20 0 CCADLP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC000829178694 906164169 /nfs/dbraw/zinc/16/41/69/906164169.db2.gz CUFKRUKKDJLJTJ-DZGCQCFKSA-N 3 2 268.449 0.552 20 0 CCADLP Cc1nnc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C)o1 ZINC001379552082 906349077 /nfs/dbraw/zinc/34/90/77/906349077.db2.gz LBRPIUOUPKZXSB-PWSUYJOCSA-N 2 2 295.387 0.409 20 0 CCADLP C[C@H](C[N@H+](C)CCCO)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001379701590 906440191 /nfs/dbraw/zinc/44/01/91/906440191.db2.gz VFLBDNKYQZUGQN-OLZOCXBDSA-N 2 2 294.399 0.264 20 0 CCADLP C[C@H](C[N@@H+](C)CCCO)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001379701590 906440196 /nfs/dbraw/zinc/44/01/96/906440196.db2.gz VFLBDNKYQZUGQN-OLZOCXBDSA-N 2 2 294.399 0.264 20 0 CCADLP C[C@H](O)C[NH+]1CCC([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001380146217 906653815 /nfs/dbraw/zinc/65/38/15/906653815.db2.gz XQDGKAQHYMSYHG-RYUDHWBXSA-N 2 2 294.399 0.550 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC1(O)C[NH+](CCC2CC2)C1 ZINC001380640964 906875947 /nfs/dbraw/zinc/87/59/47/906875947.db2.gz GAPKJRMTDCRTDG-UHFFFAOYSA-N 2 2 292.383 0.155 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001381275299 907136176 /nfs/dbraw/zinc/13/61/76/907136176.db2.gz KIMRVSOKFDCTAY-AAEUAGOBSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)Cc1ccn(C)n1 ZINC001381568794 907304465 /nfs/dbraw/zinc/30/44/65/907304465.db2.gz WWHQHTBNCADYSF-GXTWGEPZSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)Cc1ccn(C)n1 ZINC001381568794 907304483 /nfs/dbraw/zinc/30/44/83/907304483.db2.gz WWHQHTBNCADYSF-GXTWGEPZSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@H+](C)Cc1ccn(C)n1 ZINC001381568794 907304501 /nfs/dbraw/zinc/30/45/01/907304501.db2.gz WWHQHTBNCADYSF-GXTWGEPZSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@@H+](C)Cc1ccn(C)n1 ZINC001381568794 907304519 /nfs/dbraw/zinc/30/45/19/907304519.db2.gz WWHQHTBNCADYSF-GXTWGEPZSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@H+](C)CC[C@H]1CCCO1 ZINC001381593360 907312683 /nfs/dbraw/zinc/31/26/83/907312683.db2.gz ZGZYHAFCXUOVMJ-TZMCWYRMSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@@H+](C)CC[C@H]1CCCO1 ZINC001381593360 907312708 /nfs/dbraw/zinc/31/27/08/907312708.db2.gz ZGZYHAFCXUOVMJ-TZMCWYRMSA-N 2 2 294.399 0.958 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1nnc(C)o1 ZINC001491649336 907484250 /nfs/dbraw/zinc/48/42/50/907484250.db2.gz LLZUJDUTUGUQIZ-MNOVXSKESA-N 2 2 297.403 0.875 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1nnc(C)o1 ZINC001491649336 907484261 /nfs/dbraw/zinc/48/42/61/907484261.db2.gz LLZUJDUTUGUQIZ-MNOVXSKESA-N 2 2 297.403 0.875 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC[C@H](C)F ZINC001491693429 907507712 /nfs/dbraw/zinc/50/77/12/907507712.db2.gz FLZDNJFMFQXZIS-WDEREUQCSA-N 2 2 256.325 0.726 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]([NH2+]CCCF)C1 ZINC001491764295 907555163 /nfs/dbraw/zinc/55/51/63/907555163.db2.gz REVCXWODAWNONV-NSHDSACASA-N 2 2 268.336 0.513 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001491858942 907608113 /nfs/dbraw/zinc/60/81/13/907608113.db2.gz NBAFXBFFGOOQSC-KGLIPLIRSA-N 2 2 294.399 0.482 20 0 CCADLP CC(C)[NH2+]C[C@H](O)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001382407782 907726920 /nfs/dbraw/zinc/72/69/20/907726920.db2.gz MOSUQWAEBYSXQR-LBPRGKRZSA-N 2 2 290.367 0.765 20 0 CCADLP COC[C@H](C)[N@H+](C)CCNC(=O)CCn1cc[nH+]c1 ZINC001492363791 907872230 /nfs/dbraw/zinc/87/22/30/907872230.db2.gz WJFRNTPGXXRKFB-LBPRGKRZSA-N 2 2 268.361 0.356 20 0 CCADLP COC[C@H](C)[N@@H+](C)CCNC(=O)CCn1cc[nH+]c1 ZINC001492363791 907872238 /nfs/dbraw/zinc/87/22/38/907872238.db2.gz WJFRNTPGXXRKFB-LBPRGKRZSA-N 2 2 268.361 0.356 20 0 CCADLP COCC[NH2+][C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001317014348 908919594 /nfs/dbraw/zinc/91/95/94/908919594.db2.gz BPNMVKAUCUSOTB-JHJVBQTASA-N 2 2 292.383 0.644 20 0 CCADLP COCC[NH2+][C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001317014348 908919602 /nfs/dbraw/zinc/91/96/02/908919602.db2.gz BPNMVKAUCUSOTB-JHJVBQTASA-N 2 2 292.383 0.644 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]([NH2+]CCF)C1CC1 ZINC001317029778 908933013 /nfs/dbraw/zinc/93/30/13/908933013.db2.gz WXCLXJGOLDXQBG-LBPRGKRZSA-N 2 2 268.336 0.715 20 0 CCADLP CCOCCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001317069093 908957641 /nfs/dbraw/zinc/95/76/41/908957641.db2.gz JFVSNNFSADUXIH-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP CC[C@H](C(=O)N(C)CC[NH2+]Cc1nccc(C)n1)[NH+](C)C ZINC001317652676 909447923 /nfs/dbraw/zinc/44/79/23/909447923.db2.gz CLVLQJFPXZBSHZ-CYBMUJFWSA-N 2 2 293.415 0.673 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC001417661981 921502233 /nfs/dbraw/zinc/50/22/33/921502233.db2.gz VQYPNTCQZWBHJQ-UHFFFAOYSA-N 2 2 293.415 0.403 20 0 CCADLP CC[C@H](C(=O)NC1C[NH+](CCOCC2CCC2)C1)[NH+](C)C ZINC001318037409 909592877 /nfs/dbraw/zinc/59/28/77/909592877.db2.gz FRXSVMFEJDZKGT-OAHLLOKOSA-N 2 2 297.443 0.944 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]1C[NH2+]CCF ZINC001319118734 909993782 /nfs/dbraw/zinc/99/37/82/909993782.db2.gz MAVYIBVTOWMIMR-SNVBAGLBSA-N 2 2 254.309 0.502 20 0 CCADLP CCOCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001319475266 910170136 /nfs/dbraw/zinc/17/01/36/910170136.db2.gz HVOYJPDIIKMHAK-YNEHKIRRSA-N 2 2 294.399 0.986 20 0 CCADLP CCOCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001319475266 910170143 /nfs/dbraw/zinc/17/01/43/910170143.db2.gz HVOYJPDIIKMHAK-YNEHKIRRSA-N 2 2 294.399 0.986 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001319690661 910260210 /nfs/dbraw/zinc/26/02/10/910260210.db2.gz JWSLHTRGLVFPAY-TZMCWYRMSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001319690661 910260224 /nfs/dbraw/zinc/26/02/24/910260224.db2.gz JWSLHTRGLVFPAY-TZMCWYRMSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C)n1cc[nH+]c1 ZINC001319744434 910279943 /nfs/dbraw/zinc/27/99/43/910279943.db2.gz VDUYOWOLSHBTTE-UTUOFQBUSA-N 2 2 250.346 0.995 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C)n1cc[nH+]c1 ZINC001319744434 910279949 /nfs/dbraw/zinc/27/99/49/910279949.db2.gz VDUYOWOLSHBTTE-UTUOFQBUSA-N 2 2 250.346 0.995 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cnsn1 ZINC001390306007 910324872 /nfs/dbraw/zinc/32/48/72/910324872.db2.gz IVLUPOFOHLAQMI-ONGXEEELSA-N 2 2 283.401 0.227 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cnsn1 ZINC001390306007 910324883 /nfs/dbraw/zinc/32/48/83/910324883.db2.gz IVLUPOFOHLAQMI-ONGXEEELSA-N 2 2 283.401 0.227 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H](O)C[NH2+]C/C=C/Cl ZINC001320226977 910540454 /nfs/dbraw/zinc/54/04/54/910540454.db2.gz JDWLLTIRTXHXBL-BQTOJVEASA-N 2 2 286.763 0.162 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H](O)C[NH2+]C/C=C/Cl ZINC001320226977 910540457 /nfs/dbraw/zinc/54/04/57/910540457.db2.gz JDWLLTIRTXHXBL-BQTOJVEASA-N 2 2 286.763 0.162 20 0 CCADLP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1nncs1 ZINC001390729414 910617671 /nfs/dbraw/zinc/61/76/71/910617671.db2.gz DAANFTOIEMGXMS-JTQLQIEISA-N 2 2 294.384 0.419 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)N(C)C[C@H]1CC[N@@H+]1CCO ZINC001417757234 921597950 /nfs/dbraw/zinc/59/79/50/921597950.db2.gz WFBGNLAZYGIMFU-CQSZACIVSA-N 2 2 294.399 0.497 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)N(C)C[C@H]1CC[N@H+]1CCO ZINC001417757234 921597957 /nfs/dbraw/zinc/59/79/57/921597957.db2.gz WFBGNLAZYGIMFU-CQSZACIVSA-N 2 2 294.399 0.497 20 0 CCADLP CC[NH2+]CC[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001320501614 910705341 /nfs/dbraw/zinc/70/53/41/910705341.db2.gz SCLKOYANCRGCKB-LLVKDONJSA-N 2 2 252.362 0.857 20 0 CCADLP C[C@H]1CC[C@H](C[N@H+](C)CCNC(=O)Cc2c[nH]c[nH+]2)O1 ZINC001390825826 910711574 /nfs/dbraw/zinc/71/15/74/910711574.db2.gz VFTRXKMQNKQGHF-WCQYABFASA-N 2 2 280.372 0.568 20 0 CCADLP C[C@H]1CC[C@H](C[N@@H+](C)CCNC(=O)Cc2c[nH]c[nH+]2)O1 ZINC001390825826 910711583 /nfs/dbraw/zinc/71/15/83/910711583.db2.gz VFTRXKMQNKQGHF-WCQYABFASA-N 2 2 280.372 0.568 20 0 CCADLP CC[NH2+]C/C=C\CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001321210715 911164785 /nfs/dbraw/zinc/16/47/85/911164785.db2.gz VGCANZGZUCQUSR-IYKSTZQJSA-N 2 2 295.427 0.912 20 0 CCADLP CC[NH2+]C/C=C\CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001321210715 911164790 /nfs/dbraw/zinc/16/47/90/911164790.db2.gz VGCANZGZUCQUSR-IYKSTZQJSA-N 2 2 295.427 0.912 20 0 CCADLP CC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc1cnsn1)[NH+](C)C ZINC001391701118 911340579 /nfs/dbraw/zinc/34/05/79/911340579.db2.gz WONZVUNPHNWHIA-CMPLNLGQSA-N 2 2 299.444 0.863 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]C[C@H]1CCCOC1 ZINC001391965885 911489531 /nfs/dbraw/zinc/48/95/31/911489531.db2.gz MBIZWASSTOYPAJ-ZIAGYGMSSA-N 2 2 294.399 0.652 20 0 CCADLP COC[C@@H](C)[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCCC1 ZINC001392022043 911521707 /nfs/dbraw/zinc/52/17/07/911521707.db2.gz MDHRQUYVTCSLHV-CYBMUJFWSA-N 2 2 294.399 0.937 20 0 CCADLP CN(CCC[NH2+]CCCO)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001322579639 911866113 /nfs/dbraw/zinc/86/61/13/911866113.db2.gz HLEYTWGWTANEBH-CYBMUJFWSA-N 2 2 294.399 0.266 20 0 CCADLP CN(CCC[NH2+]CC[C@H]1CCOC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001322756809 911935921 /nfs/dbraw/zinc/93/59/21/911935921.db2.gz NIYBAJIPFYWKIS-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001392854747 912202544 /nfs/dbraw/zinc/20/25/44/912202544.db2.gz KNMGLBNWOXVLGV-CHWSQXEVSA-N 2 2 280.372 0.499 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001392854747 912202561 /nfs/dbraw/zinc/20/25/61/912202561.db2.gz KNMGLBNWOXVLGV-CHWSQXEVSA-N 2 2 280.372 0.499 20 0 CCADLP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1cnsn1 ZINC001399011869 914997613 /nfs/dbraw/zinc/99/76/13/914997613.db2.gz BXOFRNCYLQQWST-MNOVXSKESA-N 2 2 297.428 0.474 20 0 CCADLP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1cnsn1 ZINC001399011869 914997621 /nfs/dbraw/zinc/99/76/21/914997621.db2.gz BXOFRNCYLQQWST-MNOVXSKESA-N 2 2 297.428 0.474 20 0 CCADLP Cc1noc(C[NH2+][C@@H](C)CNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001399127901 915059913 /nfs/dbraw/zinc/05/99/13/915059913.db2.gz WOMKWTUIMKEGGH-JTQLQIEISA-N 2 2 293.371 0.068 20 0 CCADLP C[N@H+](CCNC(=O)Cn1cc[nH+]c1)CCC(F)(F)F ZINC001399656409 915295459 /nfs/dbraw/zinc/29/54/59/915295459.db2.gz RSOAZPHOPKXYNE-UHFFFAOYSA-N 2 2 278.278 0.884 20 0 CCADLP C[N@@H+](CCNC(=O)Cn1cc[nH+]c1)CCC(F)(F)F ZINC001399656409 915295468 /nfs/dbraw/zinc/29/54/68/915295468.db2.gz RSOAZPHOPKXYNE-UHFFFAOYSA-N 2 2 278.278 0.884 20 0 CCADLP [NH3+]C[C@@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001328645801 915328352 /nfs/dbraw/zinc/32/83/52/915328352.db2.gz AEUBZDYYHAKPTM-RYUDHWBXSA-N 2 2 262.357 0.643 20 0 CCADLP O=C(NCC[N@@H+](CCO)C1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001400006061 915501868 /nfs/dbraw/zinc/50/18/68/915501868.db2.gz PFQNDRJWWAENAE-VXGBXAGGSA-N 2 2 278.356 0.086 20 0 CCADLP O=C(NCC[N@H+](CCO)C1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001400006061 915501878 /nfs/dbraw/zinc/50/18/78/915501878.db2.gz PFQNDRJWWAENAE-VXGBXAGGSA-N 2 2 278.356 0.086 20 0 CCADLP OC[C@H]1C=C[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC001329113380 915683567 /nfs/dbraw/zinc/68/35/67/915683567.db2.gz JQWQRKGFRSGYIO-NWANDNLSSA-N 2 2 266.385 0.766 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC001401256550 916151111 /nfs/dbraw/zinc/15/11/11/916151111.db2.gz PNJRDKZQWPCRGW-NWDGAFQWSA-N 2 2 282.388 0.434 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@H]([NH2+]CCO)C(C)C)c[nH+]1 ZINC001401328168 916177305 /nfs/dbraw/zinc/17/73/05/916177305.db2.gz JKPRWUYPORGTKS-ZDUSSCGKSA-N 2 2 296.415 0.649 20 0 CCADLP C[C@@H](CC(=O)NC[C@@H](O)C[NH2+]CC1CCC1)n1cc[nH+]c1 ZINC001401563936 916326207 /nfs/dbraw/zinc/32/62/07/916326207.db2.gz DRJSJIZIFHZBJZ-JSGCOSHPSA-N 2 2 294.399 0.701 20 0 CCADLP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ncc(C)o1)[NH+](C)C ZINC001401650472 916427135 /nfs/dbraw/zinc/42/71/35/916427135.db2.gz BBHAPQBGHTXWHT-ZYHUDNBSSA-N 2 2 282.388 0.918 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001401854839 916633529 /nfs/dbraw/zinc/63/35/29/916633529.db2.gz JMLOAVUPZTUAFA-GXFFZTMASA-N 2 2 280.372 0.472 20 0 CCADLP O=S1(=O)CCC(C[NH2+]CCCn2cc[nH+]c2)CC1 ZINC001330600846 916734639 /nfs/dbraw/zinc/73/46/39/916734639.db2.gz BPLYPKAIEAHVJZ-UHFFFAOYSA-N 2 2 271.386 0.688 20 0 CCADLP CC(C)[C@H](C(=O)N(C)C1C[NH+](CCCO)C1)[NH+](C)C ZINC001402038223 916766533 /nfs/dbraw/zinc/76/65/33/916766533.db2.gz CHJJPTMHCMWTOQ-CYBMUJFWSA-N 2 2 271.405 0.098 20 0 CCADLP C[C@@H]([NH2+]CCO)[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001402044987 916771442 /nfs/dbraw/zinc/77/14/42/916771442.db2.gz OLDRTVDENDYMGD-OCCSQVGLSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@@H](C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)n1cc[nH+]c1 ZINC001330701333 916802332 /nfs/dbraw/zinc/80/23/32/916802332.db2.gz JCHSWHAEXTXTHM-FPMFFAJLSA-N 2 2 262.357 0.902 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@]1(C)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001402154967 916839923 /nfs/dbraw/zinc/83/99/23/916839923.db2.gz GKHBXVAGLXMDFF-SWLSCSKDSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@]1(C)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001402154967 916839927 /nfs/dbraw/zinc/83/99/27/916839927.db2.gz GKHBXVAGLXMDFF-SWLSCSKDSA-N 2 2 294.399 0.551 20 0 CCADLP CC[NH2+]C1(CNC(=O)Cc2[nH]c[nH+]c2C)CCOCC1 ZINC001402250789 916899942 /nfs/dbraw/zinc/89/99/42/916899942.db2.gz VYDCTDGQBVIXGY-UHFFFAOYSA-N 2 2 280.372 0.536 20 0 CCADLP C[NH+](C)CCCC(=O)NC[C@H]1COCC[N@@H+]1CCCF ZINC001402505962 917063754 /nfs/dbraw/zinc/06/37/54/917063754.db2.gz BKWSKYYSTKRTFX-ZDUSSCGKSA-N 2 2 289.395 0.505 20 0 CCADLP C[NH+](C)CCCC(=O)NC[C@H]1COCC[N@H+]1CCCF ZINC001402505962 917063760 /nfs/dbraw/zinc/06/37/60/917063760.db2.gz BKWSKYYSTKRTFX-ZDUSSCGKSA-N 2 2 289.395 0.505 20 0 CCADLP CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001402522470 917074990 /nfs/dbraw/zinc/07/49/90/917074990.db2.gz WFIRQJFEXAEDFP-ZIAGYGMSSA-N 2 2 285.432 0.800 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC001331421198 917320871 /nfs/dbraw/zinc/32/08/71/917320871.db2.gz JQIHVKCNIZMSBI-UHFFFAOYSA-N 2 2 251.334 0.314 20 0 CCADLP COC[C@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001402935461 917359367 /nfs/dbraw/zinc/35/93/67/917359367.db2.gz NAKMHPXOTZAHKR-KBPBESRZSA-N 2 2 294.399 0.841 20 0 CCADLP COC[C@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001402935461 917359381 /nfs/dbraw/zinc/35/93/81/917359381.db2.gz NAKMHPXOTZAHKR-KBPBESRZSA-N 2 2 294.399 0.841 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC(C(N)=O)=NO2)CC1(C)C ZINC001331510658 917383485 /nfs/dbraw/zinc/38/34/85/917383485.db2.gz JOSGHQVSXCESMX-VHSXEESVSA-N 2 2 268.361 0.079 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CC(C(N)=O)=NO2)CC1(C)C ZINC001331510658 917383496 /nfs/dbraw/zinc/38/34/96/917383496.db2.gz JOSGHQVSXCESMX-VHSXEESVSA-N 2 2 268.361 0.079 20 0 CCADLP COC(=O)c1cnc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cn1 ZINC001331848591 917661067 /nfs/dbraw/zinc/66/10/67/917661067.db2.gz AWBFDYLWHSDFAC-VIFPVBQESA-N 2 2 250.302 0.044 20 0 CCADLP COC(=O)c1cnc(C[N@H+]2CC[C@@H](C[NH3+])C2)cn1 ZINC001331848591 917661070 /nfs/dbraw/zinc/66/10/70/917661070.db2.gz AWBFDYLWHSDFAC-VIFPVBQESA-N 2 2 250.302 0.044 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC001331879751 917683247 /nfs/dbraw/zinc/68/32/47/917683247.db2.gz WHHWPRCOGDJNKS-PWSUYJOCSA-N 2 2 265.361 0.737 20 0 CCADLP O=S1(=O)CC[C@@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC001331966660 917764213 /nfs/dbraw/zinc/76/42/13/917764213.db2.gz YNONBJDWMGLBJF-QWRGUYRKSA-N 2 2 258.387 0.295 20 0 CCADLP CC[C@@H](F)C[N@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001403536847 917789245 /nfs/dbraw/zinc/78/92/45/917789245.db2.gz SNTFXMSKXYHPAT-NEPJUHHUSA-N 2 2 275.368 0.113 20 0 CCADLP CC[C@@H](F)C[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001403536847 917789255 /nfs/dbraw/zinc/78/92/55/917789255.db2.gz SNTFXMSKXYHPAT-NEPJUHHUSA-N 2 2 275.368 0.113 20 0 CCADLP CC[C@@H](F)C[NH+](C)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001403536847 917789260 /nfs/dbraw/zinc/78/92/60/917789260.db2.gz SNTFXMSKXYHPAT-NEPJUHHUSA-N 2 2 275.368 0.113 20 0 CCADLP CC[C@@H](F)C[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001403536847 917789272 /nfs/dbraw/zinc/78/92/72/917789272.db2.gz SNTFXMSKXYHPAT-NEPJUHHUSA-N 2 2 275.368 0.113 20 0 CCADLP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1cnsn1 ZINC001403599527 917833991 /nfs/dbraw/zinc/83/39/91/917833991.db2.gz XHRALGCGFSSXTK-SNVBAGLBSA-N 2 2 285.417 0.426 20 0 CCADLP COc1cc(C[N@H+](C)CCNC(=O)CC[NH+](C)C)on1 ZINC001403657124 917897337 /nfs/dbraw/zinc/89/73/37/917897337.db2.gz HTZISLDFYQHJMA-UHFFFAOYSA-N 2 2 284.360 0.183 20 0 CCADLP COc1cc(C[N@@H+](C)CCNC(=O)CC[NH+](C)C)on1 ZINC001403657124 917897349 /nfs/dbraw/zinc/89/73/49/917897349.db2.gz HTZISLDFYQHJMA-UHFFFAOYSA-N 2 2 284.360 0.183 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+](C)Cc2ccnn2C)C1 ZINC001403684541 917924790 /nfs/dbraw/zinc/92/47/90/917924790.db2.gz PTEOJEKLJNMAOU-CYBMUJFWSA-N 2 2 293.415 0.310 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+](C)Cc2ccnn2C)C1 ZINC001403684541 917924797 /nfs/dbraw/zinc/92/47/97/917924797.db2.gz PTEOJEKLJNMAOU-CYBMUJFWSA-N 2 2 293.415 0.310 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@H+](C)Cc2ccnn2C)C1 ZINC001403684541 917924799 /nfs/dbraw/zinc/92/47/99/917924799.db2.gz PTEOJEKLJNMAOU-CYBMUJFWSA-N 2 2 293.415 0.310 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+](C)Cc2ccnn2C)C1 ZINC001403684541 917924807 /nfs/dbraw/zinc/92/48/07/917924807.db2.gz PTEOJEKLJNMAOU-CYBMUJFWSA-N 2 2 293.415 0.310 20 0 CCADLP CC1(C)CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1[NH2+]CCO ZINC001403844855 918055900 /nfs/dbraw/zinc/05/59/00/918055900.db2.gz XVGURHBCENDKMQ-CYBMUJFWSA-N 2 2 294.399 0.482 20 0 CCADLP CC(C)C[NH2+]C[C@H](O)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001403864502 918074282 /nfs/dbraw/zinc/07/42/82/918074282.db2.gz BSUHVWBBHGELEE-KBPBESRZSA-N 2 2 296.415 0.899 20 0 CCADLP CC(C)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001403864916 918075828 /nfs/dbraw/zinc/07/58/28/918075828.db2.gz FWCCOZDBMNTZFN-TZMCWYRMSA-N 2 2 296.415 0.653 20 0 CCADLP CC(C)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001403864916 918075838 /nfs/dbraw/zinc/07/58/38/918075838.db2.gz FWCCOZDBMNTZFN-TZMCWYRMSA-N 2 2 296.415 0.653 20 0 CCADLP CCCC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001403924594 918125359 /nfs/dbraw/zinc/12/53/59/918125359.db2.gz OULXPOXWMGXCOK-CYBMUJFWSA-N 2 2 282.388 0.503 20 0 CCADLP CCCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001403924594 918125369 /nfs/dbraw/zinc/12/53/69/918125369.db2.gz OULXPOXWMGXCOK-CYBMUJFWSA-N 2 2 282.388 0.503 20 0 CCADLP CC(C)CC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001403926097 918125901 /nfs/dbraw/zinc/12/59/01/918125901.db2.gz SDOMWPPSVPESMT-CQSZACIVSA-N 2 2 296.415 0.749 20 0 CCADLP CC(C)CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001403926097 918125910 /nfs/dbraw/zinc/12/59/10/918125910.db2.gz SDOMWPPSVPESMT-CQSZACIVSA-N 2 2 296.415 0.749 20 0 CCADLP CC[C@@H](C(=O)N(C)CC[NH2+][C@H](C)c1csnn1)[NH+](C)C ZINC001404471001 918361987 /nfs/dbraw/zinc/36/19/87/918361987.db2.gz RLHVVIIDLPNXDY-PWSUYJOCSA-N 2 2 299.444 0.987 20 0 CCADLP C[NH+](C)CCC(=O)NC1C[NH+](Cc2ccc(CO)cc2)C1 ZINC001404802200 918472199 /nfs/dbraw/zinc/47/21/99/918472199.db2.gz BBDTXXXJZDOSCS-UHFFFAOYSA-N 2 2 291.395 0.431 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001405892149 918960918 /nfs/dbraw/zinc/96/09/18/918960918.db2.gz OJANZBJBDUZLJR-MNOVXSKESA-N 2 2 282.388 0.732 20 0 CCADLP CC[N@@H+](C/C=C/Cl)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001492947908 919040639 /nfs/dbraw/zinc/04/06/39/919040639.db2.gz HAAVAVUKGHUOHE-ZYOFXKKJSA-N 2 2 289.807 0.508 20 0 CCADLP CC[N@H+](C/C=C/Cl)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001492947908 919040647 /nfs/dbraw/zinc/04/06/47/919040647.db2.gz HAAVAVUKGHUOHE-ZYOFXKKJSA-N 2 2 289.807 0.508 20 0 CCADLP CC[NH+](C/C=C/Cl)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001492947908 919040659 /nfs/dbraw/zinc/04/06/59/919040659.db2.gz HAAVAVUKGHUOHE-ZYOFXKKJSA-N 2 2 289.807 0.508 20 0 CCADLP CC[NH+](C/C=C/Cl)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001492947908 919040671 /nfs/dbraw/zinc/04/06/71/919040671.db2.gz HAAVAVUKGHUOHE-ZYOFXKKJSA-N 2 2 289.807 0.508 20 0 CCADLP CN(CC[N@H+](C)CC(N)=O)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001406101807 919050970 /nfs/dbraw/zinc/05/09/70/919050970.db2.gz LEAGDOMYCIUONL-UHFFFAOYSA-N 2 2 298.431 0.126 20 0 CCADLP CN(CC[N@@H+](C)CC(N)=O)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001406101807 919050981 /nfs/dbraw/zinc/05/09/81/919050981.db2.gz LEAGDOMYCIUONL-UHFFFAOYSA-N 2 2 298.431 0.126 20 0 CCADLP C[C@@H](O)CCC[N@H+](C)CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001406142310 919076667 /nfs/dbraw/zinc/07/66/67/919076667.db2.gz TVEYYTCKEQLOLO-GFCCVEGCSA-N 2 2 282.388 0.503 20 0 CCADLP C[C@@H](O)CCC[N@@H+](C)CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001406142310 919076680 /nfs/dbraw/zinc/07/66/80/919076680.db2.gz TVEYYTCKEQLOLO-GFCCVEGCSA-N 2 2 282.388 0.503 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)[nH]1 ZINC001406377952 919222983 /nfs/dbraw/zinc/22/29/83/919222983.db2.gz HHQSCGZWERYBIP-JFGNBEQYSA-N 2 2 294.403 0.363 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)[nH]1 ZINC001406377952 919222998 /nfs/dbraw/zinc/22/29/98/919222998.db2.gz HHQSCGZWERYBIP-JFGNBEQYSA-N 2 2 294.403 0.363 20 0 CCADLP C[NH+](C)CCCn1cc(C[NH+]2CCC(O)CC2)nn1 ZINC001333938427 919259639 /nfs/dbraw/zinc/25/96/39/919259639.db2.gz MBTIDZPBBQZEQS-UHFFFAOYSA-N 2 2 267.377 0.187 20 0 CCADLP Cc1ncc(C[NH2+]C[C@@H](C)NC(=O)Cn2cc[nH+]c2C)o1 ZINC001406437463 919259785 /nfs/dbraw/zinc/25/97/85/919259785.db2.gz WZNAHRRKLSYIOQ-SNVBAGLBSA-N 2 2 291.355 0.782 20 0 CCADLP C[C@@H]1CN(C(=O)NCc2c[nH+]cn2C)[C@@H](C)C[NH2+]1 ZINC001334226726 919438197 /nfs/dbraw/zinc/43/81/97/919438197.db2.gz FESKJSPZXNFJJR-ZJUUUORDSA-N 2 2 251.334 0.312 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001406795733 919462966 /nfs/dbraw/zinc/46/29/66/919462966.db2.gz ZATFRZSLUFXMKA-ZYHUDNBSSA-N 2 2 280.372 0.472 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCn3c[nH+]cc3C2)C1 ZINC001334260690 919463739 /nfs/dbraw/zinc/46/37/39/919463739.db2.gz DXZAOLOMKLICEC-GHMZBOCLSA-N 2 2 263.345 0.678 20 0 CCADLP COC[C@H](C)[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001406958982 919554331 /nfs/dbraw/zinc/55/43/31/919554331.db2.gz QLZHELCRFPVQLY-LBPRGKRZSA-N 2 2 280.372 0.547 20 0 CCADLP Cc1nc(C[NH2+]C2(CNC(=O)CC[NH+](C)C)CC2)co1 ZINC001406956833 919556705 /nfs/dbraw/zinc/55/67/05/919556705.db2.gz PJQRPUJSJUUOHE-UHFFFAOYSA-N 2 2 280.372 0.673 20 0 CCADLP CC[C@H](C[NH2+]C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1)OC ZINC001407098341 919612829 /nfs/dbraw/zinc/61/28/29/919612829.db2.gz HXNSRGXUARRHDS-CHWSQXEVSA-N 2 2 294.399 0.958 20 0 CCADLP O[C@@H](CCC1(O)CCC1)C[NH2+][C@H]1Cc2c[nH+]cn2C1 ZINC001335511950 920248513 /nfs/dbraw/zinc/24/85/13/920248513.db2.gz GPMSIGSWXNOOIC-AAEUAGOBSA-N 2 2 265.357 0.454 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CC[C@@H](C[NH+](C)C)C2)c1 ZINC001414663846 920452567 /nfs/dbraw/zinc/45/25/67/920452567.db2.gz BOEJLQGJOSDYLZ-LBPRGKRZSA-N 2 2 279.388 0.556 20 0 CCADLP C[C@H](CNC(=O)[C@]12CC[C@H]1C[NH2+]C2)Cn1cc[nH+]c1 ZINC001340044266 921931900 /nfs/dbraw/zinc/93/19/00/921931900.db2.gz IYZQQTADBPRGNI-DYEKYZERSA-N 2 2 262.357 0.635 20 0 CCADLP CC(C)C[C@@H](C(=O)NC[C@H](C)[NH2+]CCO)n1cc[nH+]c1 ZINC001418236082 921948718 /nfs/dbraw/zinc/94/87/18/921948718.db2.gz KXCBDEHJNWZFFW-STQMWFEESA-N 2 2 282.388 0.557 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@]23CC[C@H]2C[NH2+]C3)CC1 ZINC001340153457 921985496 /nfs/dbraw/zinc/98/54/96/921985496.db2.gz APJHJEJFDXPYLY-ZFWWWQNUSA-N 2 2 281.400 0.167 20 0 CCADLP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1csnn1 ZINC001418316588 922021621 /nfs/dbraw/zinc/02/16/21/922021621.db2.gz MICKPUWQDBYBTP-SNVBAGLBSA-N 2 2 283.401 0.228 20 0 CCADLP CC(C)(C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1c[nH+]c[nH]1 ZINC001340268086 922033647 /nfs/dbraw/zinc/03/36/47/922033647.db2.gz XNGRRUFJQXPEID-CQSZACIVSA-N 2 2 262.357 0.899 20 0 CCADLP CC[C@H](C(=O)NCC[N@H+](C)Cc1cnc(C)cn1)[NH+](C)C ZINC001418512518 922202733 /nfs/dbraw/zinc/20/27/33/922202733.db2.gz PCURFAUBZDOVFH-CQSZACIVSA-N 2 2 293.415 0.673 20 0 CCADLP CC[C@H](C(=O)NCC[N@@H+](C)Cc1cnc(C)cn1)[NH+](C)C ZINC001418512518 922202749 /nfs/dbraw/zinc/20/27/49/922202749.db2.gz PCURFAUBZDOVFH-CQSZACIVSA-N 2 2 293.415 0.673 20 0 CCADLP O=C(NC[C@@H]1COCC[NH2+]1)c1cc2c[nH+]ccc2[nH]1 ZINC001340845298 922236036 /nfs/dbraw/zinc/23/60/36/922236036.db2.gz RRPHSPFMPLHNQG-SNVBAGLBSA-N 2 2 260.297 0.281 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC001340977881 922302603 /nfs/dbraw/zinc/30/26/03/922302603.db2.gz MLUBBNUCSWJWES-CKYFFXLPSA-N 2 2 262.357 0.719 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001418637594 922326364 /nfs/dbraw/zinc/32/63/64/922326364.db2.gz JSYJWEVNYXFZKY-UTUOFQBUSA-N 2 2 280.372 0.472 20 0 CCADLP C[C@H](C(=O)NCC[NH+]1CCC([NH3+])CC1)C(F)(F)F ZINC001341690066 922629922 /nfs/dbraw/zinc/62/99/22/922629922.db2.gz HYTLBUAYXAGUQF-MRVPVSSYSA-N 2 2 267.295 0.724 20 0 CCADLP CC(C)(CC[NH3+])NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001341877039 922707694 /nfs/dbraw/zinc/70/76/94/922707694.db2.gz JOABNYJDDIGOSA-SNVBAGLBSA-N 2 2 250.346 0.689 20 0 CCADLP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1nc(C)no1 ZINC001419222296 922714772 /nfs/dbraw/zinc/71/47/72/922714772.db2.gz ONGUORLIIKGRDQ-LLVKDONJSA-N 2 2 283.376 0.314 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001342220686 922867048 /nfs/dbraw/zinc/86/70/48/922867048.db2.gz QHTZNWOZOBZZDI-WISYIIOYSA-N 2 2 262.357 0.780 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]Cc1cscn1 ZINC001419521776 922895407 /nfs/dbraw/zinc/89/54/07/922895407.db2.gz YMGFHMGIIWIRDK-SNVBAGLBSA-N 2 2 293.396 0.951 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCCC[N@H+]1C[C@H](C)O ZINC001419605136 922946725 /nfs/dbraw/zinc/94/67/25/922946725.db2.gz AGOLVJOOLPQLTC-WCQYABFASA-N 2 2 294.399 0.612 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCCC[N@@H+]1C[C@H](C)O ZINC001419605136 922946739 /nfs/dbraw/zinc/94/67/39/922946739.db2.gz AGOLVJOOLPQLTC-WCQYABFASA-N 2 2 294.399 0.612 20 0 CCADLP COC[C@H](C)[N@H+](C)CCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001419970318 923197260 /nfs/dbraw/zinc/19/72/60/923197260.db2.gz JLQVDTSHLSODNL-LBPRGKRZSA-N 2 2 282.388 0.767 20 0 CCADLP COC[C@H](C)[N@@H+](C)CCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001419970318 923197269 /nfs/dbraw/zinc/19/72/69/923197269.db2.gz JLQVDTSHLSODNL-LBPRGKRZSA-N 2 2 282.388 0.767 20 0 CCADLP COC[C@H](C)[N@H+](C)CCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001419970318 923197280 /nfs/dbraw/zinc/19/72/80/923197280.db2.gz JLQVDTSHLSODNL-LBPRGKRZSA-N 2 2 282.388 0.767 20 0 CCADLP COC[C@H](C)[N@@H+](C)CCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001419970318 923197291 /nfs/dbraw/zinc/19/72/91/923197291.db2.gz JLQVDTSHLSODNL-LBPRGKRZSA-N 2 2 282.388 0.767 20 0 CCADLP COC[C@@H](C)[N@@H+](C)CCN(C)C(=O)CCn1cc[nH+]c1 ZINC001419983391 923215695 /nfs/dbraw/zinc/21/56/95/923215695.db2.gz ARLYNDCVGPYORJ-CYBMUJFWSA-N 2 2 282.388 0.698 20 0 CCADLP COCC[N@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001420042511 923255452 /nfs/dbraw/zinc/25/54/52/923255452.db2.gz XQWFOHCIVGVZMU-ZDUSSCGKSA-N 2 2 280.372 0.521 20 0 CCADLP COCC[N@@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001420042511 923255467 /nfs/dbraw/zinc/25/54/67/923255467.db2.gz XQWFOHCIVGVZMU-ZDUSSCGKSA-N 2 2 280.372 0.521 20 0 CCADLP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001343525018 923361968 /nfs/dbraw/zinc/36/19/68/923361968.db2.gz GBSVXHJQXLDYCX-PWSUYJOCSA-N 2 2 262.357 0.702 20 0 CCADLP C[C@H](C[NH2+]Cc1cccnc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001420352475 923566956 /nfs/dbraw/zinc/56/69/56/923566956.db2.gz PPUCNSTVFHKBOR-LLVKDONJSA-N 2 2 273.340 0.642 20 0 CCADLP Cc1conc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001420663075 923862440 /nfs/dbraw/zinc/86/24/40/923862440.db2.gz SAUGHNFUNIIPBM-CHWSQXEVSA-N 2 2 294.399 0.871 20 0 CCADLP Cc1conc1C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001420663075 923862448 /nfs/dbraw/zinc/86/24/48/923862448.db2.gz SAUGHNFUNIIPBM-CHWSQXEVSA-N 2 2 294.399 0.871 20 0 CCADLP Cc1conc1C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001420663075 923862455 /nfs/dbraw/zinc/86/24/55/923862455.db2.gz SAUGHNFUNIIPBM-CHWSQXEVSA-N 2 2 294.399 0.871 20 0 CCADLP Cc1conc1C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001420663075 923862465 /nfs/dbraw/zinc/86/24/65/923862465.db2.gz SAUGHNFUNIIPBM-CHWSQXEVSA-N 2 2 294.399 0.871 20 0 CCADLP COC[C@@H](C)[NH2+]CCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001420725213 923905442 /nfs/dbraw/zinc/90/54/42/923905442.db2.gz FTIPALFPDMMLQS-VXGBXAGGSA-N 2 2 282.388 0.671 20 0 CCADLP COC[C@@H](C)[NH2+]CCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001420725213 923905455 /nfs/dbraw/zinc/90/54/55/923905455.db2.gz FTIPALFPDMMLQS-VXGBXAGGSA-N 2 2 282.388 0.671 20 0 CCADLP COC[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001420725205 923906050 /nfs/dbraw/zinc/90/60/50/923906050.db2.gz FTIPALFPDMMLQS-NWDGAFQWSA-N 2 2 282.388 0.671 20 0 CCADLP COC[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001420725205 923906059 /nfs/dbraw/zinc/90/60/59/923906059.db2.gz FTIPALFPDMMLQS-NWDGAFQWSA-N 2 2 282.388 0.671 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+](CCCC(C)(C)C)C2)C1 ZINC001421023673 924099531 /nfs/dbraw/zinc/09/95/31/924099531.db2.gz GYHNDSVDEUVXJM-CQSZACIVSA-N 2 2 297.443 0.944 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)NC2C[NH+](CCCC(C)(C)C)C2)C1 ZINC001421023673 924099544 /nfs/dbraw/zinc/09/95/44/924099544.db2.gz GYHNDSVDEUVXJM-CQSZACIVSA-N 2 2 297.443 0.944 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@]1(C)CC[N@H+](CCF)C1 ZINC001421224769 924224908 /nfs/dbraw/zinc/22/49/08/924224908.db2.gz QWVCHKVGLIEZBZ-CQSZACIVSA-N 2 2 282.363 0.903 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@]1(C)CC[N@@H+](CCF)C1 ZINC001421224769 924224919 /nfs/dbraw/zinc/22/49/19/924224919.db2.gz QWVCHKVGLIEZBZ-CQSZACIVSA-N 2 2 282.363 0.903 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@@](C)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001421225842 924225023 /nfs/dbraw/zinc/22/50/23/924225023.db2.gz RVSGBKLQANYRHI-IAQYHMDHSA-N 2 2 294.399 0.876 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001421225842 924225032 /nfs/dbraw/zinc/22/50/32/924225032.db2.gz RVSGBKLQANYRHI-IAQYHMDHSA-N 2 2 294.399 0.876 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@]1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001421254186 924241161 /nfs/dbraw/zinc/24/11/61/924241161.db2.gz ULHBRNWYEBJYOK-DOMZBBRYSA-N 2 2 294.399 0.815 20 0 CCADLP C[NH+](C)Cc1nc(CNC(=O)[C@@H]2CC[N@H+](C)C2)co1 ZINC001347449196 924450306 /nfs/dbraw/zinc/45/03/06/924450306.db2.gz OZORQSANYMRAQN-SNVBAGLBSA-N 2 2 266.345 0.304 20 0 CCADLP C[NH+](C)Cc1nc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)co1 ZINC001347449196 924450307 /nfs/dbraw/zinc/45/03/07/924450307.db2.gz OZORQSANYMRAQN-SNVBAGLBSA-N 2 2 266.345 0.304 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCN(c2cnn(C)c2)C1 ZINC001350958340 925322258 /nfs/dbraw/zinc/32/22/58/925322258.db2.gz SKOGJUJNPXGHED-OUCADQQQSA-N 2 2 263.389 0.729 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CCO1 ZINC001353004716 925697605 /nfs/dbraw/zinc/69/76/05/925697605.db2.gz MRSVJUYHUJKEQX-UWVGGRQHSA-N 2 2 266.345 0.262 20 0 CCADLP CC[C@@H](C(=O)NCc1coc(C[NH+](C)C)n1)[NH+](C)C ZINC001353112526 925734794 /nfs/dbraw/zinc/73/47/94/925734794.db2.gz WHQMGUMDHHKQBY-NSHDSACASA-N 2 2 268.361 0.693 20 0 CCADLP CCC[NH2+]CCNC(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC001353591614 925878551 /nfs/dbraw/zinc/87/85/51/925878551.db2.gz QLHJNNRMDLNSTH-KBPBESRZSA-N 2 2 285.432 0.992 20 0 CCADLP CCC[NH2+]CCNC(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC001353591614 925878560 /nfs/dbraw/zinc/87/85/60/925878560.db2.gz QLHJNNRMDLNSTH-KBPBESRZSA-N 2 2 285.432 0.992 20 0 CCADLP C[C@@H](Nc1cc[nH+]c(CO)c1)[C@H]1CN(C)CC[N@@H+]1C ZINC001354266331 926061793 /nfs/dbraw/zinc/06/17/93/926061793.db2.gz LGLJQLSYKFUZQD-BXUZGUMPSA-N 2 2 264.373 0.620 20 0 CCADLP C[C@@H](Nc1cc[nH+]c(CO)c1)[C@H]1CN(C)CC[N@H+]1C ZINC001354266331 926061801 /nfs/dbraw/zinc/06/18/01/926061801.db2.gz LGLJQLSYKFUZQD-BXUZGUMPSA-N 2 2 264.373 0.620 20 0 CCADLP [NH3+][C@@H](CC(=O)NC[C@]12CCC[C@H]1[NH2+]CC2)C(F)F ZINC001354970897 926190632 /nfs/dbraw/zinc/19/06/32/926190632.db2.gz OWDOZFNWDHHOEY-YGOYTEALSA-N 2 2 261.316 0.617 20 0 CCADLP C[C@@H]([NH2+]CCO)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001421552022 926792225 /nfs/dbraw/zinc/79/22/25/926792225.db2.gz VRDMHTLYPUUIJC-OLZOCXBDSA-N 2 2 294.399 0.172 20 0 CCADLP CCO[C@@H](C[NH2+]C1CC[NH+](CCNC(C)=O)CC1)C1CC1 ZINC001421574549 926800414 /nfs/dbraw/zinc/80/04/14/926800414.db2.gz PZQQYWQRFUJDBP-INIZCTEOSA-N 2 2 297.443 0.992 20 0 CCADLP CCCC[N@@H+]1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001421611169 926815544 /nfs/dbraw/zinc/81/55/44/926815544.db2.gz GOYPZDGUCAIXGN-HNNXBMFYSA-N 2 2 294.399 0.626 20 0 CCADLP CCCC[N@H+]1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001421611169 926815554 /nfs/dbraw/zinc/81/55/54/926815554.db2.gz GOYPZDGUCAIXGN-HNNXBMFYSA-N 2 2 294.399 0.626 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@]1(CO)CCC[N@H+](CCF)C1 ZINC001421610290 926817281 /nfs/dbraw/zinc/81/72/81/926817281.db2.gz NBBJOXQWIRSHIH-AWEZNQCLSA-N 2 2 298.362 0.104 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@]1(CO)CCC[N@@H+](CCF)C1 ZINC001421610290 926817296 /nfs/dbraw/zinc/81/72/96/926817296.db2.gz NBBJOXQWIRSHIH-AWEZNQCLSA-N 2 2 298.362 0.104 20 0 CCADLP COC[C@H](C)[NH2+]CC[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001421662693 926834048 /nfs/dbraw/zinc/83/40/48/926834048.db2.gz XZHVXLPLWOAJJL-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1COCC[N@H+]1CC(C)C ZINC001421703294 926865379 /nfs/dbraw/zinc/86/53/79/926865379.db2.gz HDZLBSZOPSKXMJ-CQSZACIVSA-N 2 2 294.399 0.665 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1COCC[N@@H+]1CC(C)C ZINC001421703294 926865394 /nfs/dbraw/zinc/86/53/94/926865394.db2.gz HDZLBSZOPSKXMJ-CQSZACIVSA-N 2 2 294.399 0.665 20 0 CCADLP C[C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1CCCO ZINC001422121340 927081882 /nfs/dbraw/zinc/08/18/82/927081882.db2.gz MJYUSMFAJVXRCQ-QWHCGFSZSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1CCCO ZINC001422121340 927081899 /nfs/dbraw/zinc/08/18/99/927081899.db2.gz MJYUSMFAJVXRCQ-QWHCGFSZSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1CCCO ZINC001422121340 927081908 /nfs/dbraw/zinc/08/19/08/927081908.db2.gz MJYUSMFAJVXRCQ-QWHCGFSZSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1CCCO ZINC001422121340 927081923 /nfs/dbraw/zinc/08/19/23/927081923.db2.gz MJYUSMFAJVXRCQ-QWHCGFSZSA-N 2 2 294.399 0.694 20 0 CCADLP CN(CC[N@H+](C)CCCO)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001422174831 927125011 /nfs/dbraw/zinc/12/50/11/927125011.db2.gz JEBCTMKZZAGCDJ-CYBMUJFWSA-N 2 2 294.399 0.218 20 0 CCADLP CN(CC[N@@H+](C)CCCO)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001422174831 927125023 /nfs/dbraw/zinc/12/50/23/927125023.db2.gz JEBCTMKZZAGCDJ-CYBMUJFWSA-N 2 2 294.399 0.218 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2cn(C)nn2)C1 ZINC001422433958 927275018 /nfs/dbraw/zinc/27/50/18/927275018.db2.gz FWFPRIGUPVXBJI-KGLIPLIRSA-N 2 2 295.431 0.696 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2cn(C)nn2)C1 ZINC001422433958 927275033 /nfs/dbraw/zinc/27/50/33/927275033.db2.gz FWFPRIGUPVXBJI-KGLIPLIRSA-N 2 2 295.431 0.696 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](c2cn(C)nn2)C1 ZINC001422433958 927275044 /nfs/dbraw/zinc/27/50/44/927275044.db2.gz FWFPRIGUPVXBJI-KGLIPLIRSA-N 2 2 295.431 0.696 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](c2cn(C)nn2)C1 ZINC001422433958 927275052 /nfs/dbraw/zinc/27/50/52/927275052.db2.gz FWFPRIGUPVXBJI-KGLIPLIRSA-N 2 2 295.431 0.696 20 0 CCADLP C[C@@H]([NH2+]Cc1cnsn1)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001422444646 927280782 /nfs/dbraw/zinc/28/07/82/927280782.db2.gz VDOBYDXMFOWPDV-MNOVXSKESA-N 2 2 297.428 0.617 20 0 CCADLP CCc1noc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001422472653 927296877 /nfs/dbraw/zinc/29/68/77/927296877.db2.gz VRYOFPHLYKSPIH-MNOVXSKESA-N 2 2 295.387 0.321 20 0 CCADLP CCc1noc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001422472653 927296882 /nfs/dbraw/zinc/29/68/82/927296882.db2.gz VRYOFPHLYKSPIH-MNOVXSKESA-N 2 2 295.387 0.321 20 0 CCADLP CC[C@H](C(=O)NC[C@H]1CC[NH+](C)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC001361832832 927366511 /nfs/dbraw/zinc/36/65/11/927366511.db2.gz ICQNRKCBQRVYEV-RBSFLKMASA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@H](C(=O)NC[C@H]1CC[NH+](C)C1)[N@H+]1CCO[C@H](CC)C1 ZINC001361832832 927366520 /nfs/dbraw/zinc/36/65/20/927366520.db2.gz ICQNRKCBQRVYEV-RBSFLKMASA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@H](C(=O)NC[C@H]1CC[N@H+](C)C1)[NH+]1CCO[C@H](CC)C1 ZINC001361832832 927366533 /nfs/dbraw/zinc/36/65/33/927366533.db2.gz ICQNRKCBQRVYEV-RBSFLKMASA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@H](C(=O)NC[C@H]1CC[N@@H+](C)C1)[NH+]1CCO[C@H](CC)C1 ZINC001361832832 927366545 /nfs/dbraw/zinc/36/65/45/927366545.db2.gz ICQNRKCBQRVYEV-RBSFLKMASA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)C[C@H](C(=O)N[C@@H](C)C[NH2+]CC(N)=O)n1cc[nH+]c1 ZINC001422671456 927446162 /nfs/dbraw/zinc/44/61/62/927446162.db2.gz JSCBIWVVUKAJHW-NWDGAFQWSA-N 2 2 295.387 0.050 20 0 CCADLP Cc1cccnc1C[NH2+]C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001422717462 927471567 /nfs/dbraw/zinc/47/15/67/927471567.db2.gz UXIUGGDODJRCLN-LBPRGKRZSA-N 2 2 287.367 0.950 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1nncs1 ZINC001422729127 927479390 /nfs/dbraw/zinc/47/93/90/927479390.db2.gz GZEQCXVPZTXDOQ-JTQLQIEISA-N 2 2 285.417 0.474 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1nncs1 ZINC001422729127 927479397 /nfs/dbraw/zinc/47/93/97/927479397.db2.gz GZEQCXVPZTXDOQ-JTQLQIEISA-N 2 2 285.417 0.474 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC001361995737 927507010 /nfs/dbraw/zinc/50/70/10/927507010.db2.gz PLGYYMXWZNCMJT-CHWSQXEVSA-N 2 2 271.405 0.411 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC001361995737 927507019 /nfs/dbraw/zinc/50/70/19/927507019.db2.gz PLGYYMXWZNCMJT-CHWSQXEVSA-N 2 2 271.405 0.411 20 0 CCADLP COCC[N@@H+]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001422795094 927513167 /nfs/dbraw/zinc/51/31/67/927513167.db2.gz LIKZLOHLBACOPR-ZDUSSCGKSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@H+]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001422795094 927513174 /nfs/dbraw/zinc/51/31/74/927513174.db2.gz LIKZLOHLBACOPR-ZDUSSCGKSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@@H+]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001422795094 927513182 /nfs/dbraw/zinc/51/31/82/927513182.db2.gz LIKZLOHLBACOPR-ZDUSSCGKSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@H+]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001422795094 927513190 /nfs/dbraw/zinc/51/31/90/927513190.db2.gz LIKZLOHLBACOPR-ZDUSSCGKSA-N 2 2 294.399 0.815 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[N@H+](C)CCO)c[nH+]1 ZINC001422835744 927541408 /nfs/dbraw/zinc/54/14/08/927541408.db2.gz AKKFDZATDAWWDW-LBPRGKRZSA-N 2 2 282.388 0.355 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)CCO)c[nH+]1 ZINC001422835744 927541415 /nfs/dbraw/zinc/54/14/15/927541415.db2.gz AKKFDZATDAWWDW-LBPRGKRZSA-N 2 2 282.388 0.355 20 0 CCADLP Cc1cc(C[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C)no1 ZINC001422888527 927572462 /nfs/dbraw/zinc/57/24/62/927572462.db2.gz SYMONCXBNHTDBT-LLVKDONJSA-N 2 2 282.388 0.871 20 0 CCADLP Cc1cc(C[N@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C)no1 ZINC001422888527 927572478 /nfs/dbraw/zinc/57/24/78/927572478.db2.gz SYMONCXBNHTDBT-LLVKDONJSA-N 2 2 282.388 0.871 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001362099644 927614765 /nfs/dbraw/zinc/61/47/65/927614765.db2.gz NIXNPQABFKNHEG-BFHYXJOUSA-N 2 2 281.400 0.138 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001362099644 927614770 /nfs/dbraw/zinc/61/47/70/927614770.db2.gz NIXNPQABFKNHEG-BFHYXJOUSA-N 2 2 281.400 0.138 20 0 CCADLP CC[NH+]1CCN(CCC(=O)N2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001362147880 927666552 /nfs/dbraw/zinc/66/65/52/927666552.db2.gz MKOFYMPXGPITBR-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP CC[NH+]1CCN(CCC(=O)N2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001362147880 927666556 /nfs/dbraw/zinc/66/65/56/927666556.db2.gz MKOFYMPXGPITBR-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP CCN1CC[NH+](CCC(=O)N2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001362147880 927666565 /nfs/dbraw/zinc/66/65/65/927666565.db2.gz MKOFYMPXGPITBR-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP C[C@H](CN(C)C(=O)CCCn1cc[nH+]c1)[NH2+]C[C@H](C)O ZINC001423180499 927716716 /nfs/dbraw/zinc/71/67/16/927716716.db2.gz CKJKLGORTHHEIW-OLZOCXBDSA-N 2 2 282.388 0.481 20 0 CCADLP CC(C)C[NH2+][C@H](CO)CNC(=O)CCc1c[nH+]cn1C ZINC001423292973 927793278 /nfs/dbraw/zinc/79/32/78/927793278.db2.gz WNEYNFXBWQENFF-LBPRGKRZSA-N 2 2 282.388 0.075 20 0 CCADLP CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCO)[C@H](C)C1 ZINC001362400770 927968710 /nfs/dbraw/zinc/96/87/10/927968710.db2.gz XDWORBPHPMNJKT-HUUCEWRRSA-N 2 2 297.443 0.776 20 0 CCADLP CCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCO)[C@H](C)C1 ZINC001362400770 927968714 /nfs/dbraw/zinc/96/87/14/927968714.db2.gz XDWORBPHPMNJKT-HUUCEWRRSA-N 2 2 297.443 0.776 20 0 CCADLP CCC[NH+]1CCCC[C@@H]1C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC001362400770 927968722 /nfs/dbraw/zinc/96/87/22/927968722.db2.gz XDWORBPHPMNJKT-HUUCEWRRSA-N 2 2 297.443 0.776 20 0 CCADLP CCC[NH+]1CCCC[C@@H]1C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC001362400770 927968728 /nfs/dbraw/zinc/96/87/28/927968728.db2.gz XDWORBPHPMNJKT-HUUCEWRRSA-N 2 2 297.443 0.776 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC001362401780 927971632 /nfs/dbraw/zinc/97/16/32/927971632.db2.gz YYZCCJPOYKQDPH-LSDHHAIUSA-N 2 2 297.443 0.632 20 0 CCADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC001362401780 927971642 /nfs/dbraw/zinc/97/16/42/927971642.db2.gz YYZCCJPOYKQDPH-LSDHHAIUSA-N 2 2 297.443 0.632 20 0 CCADLP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC001362401780 927971654 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O=C(Cn1cc[nH+]c1)NC1(CO)CC[NH+](CCCF)CC1 ZINC001424649063 928236335 /nfs/dbraw/zinc/23/63/35/928236335.db2.gz HVILPTMXHYAGHY-UHFFFAOYSA-N 2 2 298.362 0.186 20 0 CCADLP C[C@H](O)C[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001424717246 928265198 /nfs/dbraw/zinc/26/51/98/928265198.db2.gz VAHWIRBHAIAQNS-AAEUAGOBSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@H](O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001424717246 928265212 /nfs/dbraw/zinc/26/52/12/928265212.db2.gz VAHWIRBHAIAQNS-AAEUAGOBSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H](CC(=O)N[C@@H](C)C1C[NH+](CCCO)C1)n1cc[nH+]c1 ZINC001425239477 928476181 /nfs/dbraw/zinc/47/61/81/928476181.db2.gz VGHUPRRKMFFHOH-STQMWFEESA-N 2 2 294.399 0.653 20 0 CCADLP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCc1c[nH+]cn1C ZINC001362906018 928638151 /nfs/dbraw/zinc/63/81/51/928638151.db2.gz RHOSVALPSFTFFS-QWHCGFSZSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CCc1c[nH+]cn1C ZINC001362906018 928638157 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IQXFIIUZCIEJEP-NWDGAFQWSA-N 2 2 282.388 0.170 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001445763342 930243050 /nfs/dbraw/zinc/24/30/50/930243050.db2.gz IQXFIIUZCIEJEP-NWDGAFQWSA-N 2 2 282.388 0.170 20 0 CCADLP C[C@H](C[N@H+](C)CCCO)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001445819690 930259728 /nfs/dbraw/zinc/25/97/28/930259728.db2.gz NSHDEJZUVWXRIN-NWDGAFQWSA-N 2 2 282.388 0.407 20 0 CCADLP C[C@H](C[N@@H+](C)CCCO)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001445819690 930259738 /nfs/dbraw/zinc/25/97/38/930259738.db2.gz NSHDEJZUVWXRIN-NWDGAFQWSA-N 2 2 282.388 0.407 20 0 CCADLP C[C@H](C[N@H+](C)CCCO)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001445819690 930259744 /nfs/dbraw/zinc/25/97/44/930259744.db2.gz NSHDEJZUVWXRIN-NWDGAFQWSA-N 2 2 282.388 0.407 20 0 CCADLP C[C@H](C[N@@H+](C)CCCO)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001445819690 930259753 /nfs/dbraw/zinc/25/97/53/930259753.db2.gz NSHDEJZUVWXRIN-NWDGAFQWSA-N 2 2 282.388 0.407 20 0 CCADLP C[C@H](O)CCC[N@@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001446558137 930437196 /nfs/dbraw/zinc/43/71/96/930437196.db2.gz DQKSKFMYDGCTMQ-DZGCQCFKSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@H](O)CCC[N@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001446558137 930437202 /nfs/dbraw/zinc/43/72/02/930437202.db2.gz DQKSKFMYDGCTMQ-DZGCQCFKSA-N 2 2 294.399 0.625 20 0 CCADLP CC(C)[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001446785782 930486535 /nfs/dbraw/zinc/48/65/35/930486535.db2.gz VFHGJLPBEFGKOQ-SWLSCSKDSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001446785782 930486541 /nfs/dbraw/zinc/48/65/41/930486541.db2.gz VFHGJLPBEFGKOQ-SWLSCSKDSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001446785782 930486546 /nfs/dbraw/zinc/48/65/46/930486546.db2.gz VFHGJLPBEFGKOQ-SWLSCSKDSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001446785782 930486552 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COCC[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001447302345 930601299 /nfs/dbraw/zinc/60/12/99/930601299.db2.gz HQNWXENGJXQPII-ZDUSSCGKSA-N 2 2 294.399 0.959 20 0 CCADLP COCC[N@H+]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001447302345 930601306 /nfs/dbraw/zinc/60/13/06/930601306.db2.gz HQNWXENGJXQPII-ZDUSSCGKSA-N 2 2 294.399 0.959 20 0 CCADLP COCC[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001447302345 930601316 /nfs/dbraw/zinc/60/13/16/930601316.db2.gz HQNWXENGJXQPII-ZDUSSCGKSA-N 2 2 294.399 0.959 20 0 CCADLP COCC[N@H+]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001447302345 930601326 /nfs/dbraw/zinc/60/13/26/930601326.db2.gz HQNWXENGJXQPII-ZDUSSCGKSA-N 2 2 294.399 0.959 20 0 CCADLP C[C@H](C[NH2+]Cc1ncccn1)NC(=O)C[N@H+](C)C1CCC1 ZINC001374769053 930654067 /nfs/dbraw/zinc/65/40/67/930654067.db2.gz AICCDDMMABNJFS-GFCCVEGCSA-N 2 2 291.399 0.555 20 0 CCADLP C[C@H](C[NH2+]Cc1ncccn1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001374769053 930654074 /nfs/dbraw/zinc/65/40/74/930654074.db2.gz AICCDDMMABNJFS-GFCCVEGCSA-N 2 2 291.399 0.555 20 0 CCADLP CC(C)C[NH+]1CCC(CO)(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001447740091 930691123 /nfs/dbraw/zinc/69/11/23/930691123.db2.gz SOZUFPVDHCKJIG-UHFFFAOYSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](NC(=O)Cn1cc[nH+]c1)C1C[NH+](C[C@@H]2CCOC2)C1 ZINC001448328594 930875169 /nfs/dbraw/zinc/87/51/69/930875169.db2.gz BCORSPWHEFNHPX-STQMWFEESA-N 2 2 292.383 0.356 20 0 CCADLP O=C(NCC1([NH2+]CCF)CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001375440186 930887099 /nfs/dbraw/zinc/88/70/99/930887099.db2.gz RCZWEBVRSUHRJA-NSHDSACASA-N 2 2 280.347 0.653 20 0 CCADLP C[C@H](O)C[NH2+]C1(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001375438459 930888416 /nfs/dbraw/zinc/88/84/16/930888416.db2.gz LYOXLGZFSLSKKW-RYUDHWBXSA-N 2 2 292.383 0.065 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001375508007 930902465 /nfs/dbraw/zinc/90/24/65/930902465.db2.gz ZOEFMGZAHLFZPW-MELADBBJSA-N 2 2 294.399 0.793 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC001449074267 931063078 /nfs/dbraw/zinc/06/30/78/931063078.db2.gz FLZUOFBHXBSCKI-STQMWFEESA-N 2 2 294.399 0.745 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cncs1 ZINC001376842674 931299816 /nfs/dbraw/zinc/29/98/16/931299816.db2.gz YOSKAEJIRDSIMP-SECBINFHSA-N 2 2 279.369 0.703 20 0 CCADLP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)NC(C)(C)C ZINC001377126417 931393175 /nfs/dbraw/zinc/39/31/75/931393175.db2.gz CJUYTGMPUQHKCZ-GFCCVEGCSA-N 2 2 298.431 0.043 20 0 CCADLP C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)NC(C)(C)C ZINC001377126417 931393182 /nfs/dbraw/zinc/39/31/82/931393182.db2.gz CJUYTGMPUQHKCZ-GFCCVEGCSA-N 2 2 298.431 0.043 20 0 CCADLP C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)CC(=O)NC(C)(C)C ZINC001377126417 931393191 /nfs/dbraw/zinc/39/31/91/931393191.db2.gz CJUYTGMPUQHKCZ-GFCCVEGCSA-N 2 2 298.431 0.043 20 0 CCADLP C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)CC(=O)NC(C)(C)C ZINC001377126417 931393203 /nfs/dbraw/zinc/39/32/03/931393203.db2.gz CJUYTGMPUQHKCZ-GFCCVEGCSA-N 2 2 298.431 0.043 20 0 CCADLP C[NH+](C)[C@@H]1CCCN(c2cc(-n3cccn3)nc(N)[nH+]2)C1 ZINC000092894450 349510024 /nfs/dbraw/zinc/51/00/24/349510024.db2.gz QUXQGNLEDNHMBW-LLVKDONJSA-N 2 2 287.371 0.775 20 0 CCADLP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000092954611 349514535 /nfs/dbraw/zinc/51/45/35/349514535.db2.gz IUJBECBVGOWFMO-UKRRQHHQSA-N 2 2 288.395 0.724 20 0 CCADLP CCOC[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093178427 349529249 /nfs/dbraw/zinc/52/92/49/349529249.db2.gz CSHIHYYBISKOHG-ZDUSSCGKSA-N 2 2 269.389 0.119 20 0 CCADLP CCOC[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093178427 349529254 /nfs/dbraw/zinc/52/92/54/349529254.db2.gz CSHIHYYBISKOHG-ZDUSSCGKSA-N 2 2 269.389 0.119 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617503376 365657628 /nfs/dbraw/zinc/65/76/28/365657628.db2.gz GUEVVGLJDYTENO-ZDUSSCGKSA-N 3 2 295.431 0.580 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617503376 365657632 /nfs/dbraw/zinc/65/76/32/365657632.db2.gz GUEVVGLJDYTENO-ZDUSSCGKSA-N 3 2 295.431 0.580 20 0 CCADLP Cc1[nH+]ccn1CCCCNC(=O)NCC[NH+]1CCC1 ZINC000337673614 214210754 /nfs/dbraw/zinc/21/07/54/214210754.db2.gz YPMNAUREYYWHON-UHFFFAOYSA-N 2 2 279.388 0.977 20 0 CCADLP Cc1[nH+]cc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)n1-c1ccccc1 ZINC000093483687 349544329 /nfs/dbraw/zinc/54/43/29/349544329.db2.gz LPZWMEPENGURBE-GASCZTMLSA-N 2 2 273.336 0.718 20 0 CCADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)n1-c1ccccc1 ZINC000093483687 349544333 /nfs/dbraw/zinc/54/43/33/349544333.db2.gz LPZWMEPENGURBE-GASCZTMLSA-N 2 2 273.336 0.718 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094341962 349568400 /nfs/dbraw/zinc/56/84/00/349568400.db2.gz WPJRFSVILFSGRE-MNOVXSKESA-N 2 2 270.377 0.137 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094341962 349568405 /nfs/dbraw/zinc/56/84/05/349568405.db2.gz WPJRFSVILFSGRE-MNOVXSKESA-N 2 2 270.377 0.137 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000337749674 214245455 /nfs/dbraw/zinc/24/54/55/214245455.db2.gz IGNWXFUEQWCEPY-CQSZACIVSA-N 2 2 271.405 0.590 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000337749674 214245456 /nfs/dbraw/zinc/24/54/56/214245456.db2.gz IGNWXFUEQWCEPY-CQSZACIVSA-N 2 2 271.405 0.590 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000413172593 529387982 /nfs/dbraw/zinc/38/79/82/529387982.db2.gz RCJCONHYLKUYSF-CYBMUJFWSA-N 2 2 291.399 0.944 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)/C=C/c2[nH]cc[nH+]2)CCO1 ZINC000493713522 529390782 /nfs/dbraw/zinc/39/07/82/529390782.db2.gz HHMNLPALSQQQPV-AAOUONPWSA-N 2 2 278.356 0.650 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)/C=C/c2[nH]cc[nH+]2)CCO1 ZINC000493713522 529390784 /nfs/dbraw/zinc/39/07/84/529390784.db2.gz HHMNLPALSQQQPV-AAOUONPWSA-N 2 2 278.356 0.650 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)NCC[C@H]2CC[NH2+]C2)CCO1 ZINC000418336360 529392155 /nfs/dbraw/zinc/39/21/55/529392155.db2.gz IJACAOPSYVYODK-ZIAGYGMSSA-N 2 2 298.431 0.396 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCC[C@H]2CC[NH2+]C2)CCO1 ZINC000418336360 529392159 /nfs/dbraw/zinc/39/21/59/529392159.db2.gz IJACAOPSYVYODK-ZIAGYGMSSA-N 2 2 298.431 0.396 20 0 CCADLP CN(CC1CC[NH+](C)CC1)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338199999 214445443 /nfs/dbraw/zinc/44/54/43/214445443.db2.gz XHSKRKXDUDDKBP-UHFFFAOYSA-N 2 2 297.443 0.897 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000493802062 529554052 /nfs/dbraw/zinc/55/40/52/529554052.db2.gz IOFPCLVZFSLDAZ-UFFNRZRYSA-N 2 2 264.329 0.021 20 0 CCADLP C[NH+]1CCN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000105784989 349723631 /nfs/dbraw/zinc/72/36/31/349723631.db2.gz KHBVVEJKQVVBMV-CYBMUJFWSA-N 2 2 291.399 0.437 20 0 CCADLP CC[C@@H](C(N)=O)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000109752640 349755389 /nfs/dbraw/zinc/75/53/89/349755389.db2.gz DWYZTMOMVUFECT-KGLIPLIRSA-N 2 2 282.432 0.352 20 0 CCADLP CC[C@@H](C(N)=O)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000109752640 349755391 /nfs/dbraw/zinc/75/53/91/349755391.db2.gz DWYZTMOMVUFECT-KGLIPLIRSA-N 2 2 282.432 0.352 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CC[NH+](C)C2)[C@@H](C)CO1 ZINC000617723671 365728099 /nfs/dbraw/zinc/72/80/99/365728099.db2.gz PRWAJKITPWVZPD-XQQFMLRXSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CC[NH+](C)C2)[C@@H](C)CO1 ZINC000617723671 365728103 /nfs/dbraw/zinc/72/81/03/365728103.db2.gz PRWAJKITPWVZPD-XQQFMLRXSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](C)CO1 ZINC000617723671 365728110 /nfs/dbraw/zinc/72/81/10/365728110.db2.gz PRWAJKITPWVZPD-XQQFMLRXSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](C)CO1 ZINC000617723671 365728117 /nfs/dbraw/zinc/72/81/17/365728117.db2.gz PRWAJKITPWVZPD-XQQFMLRXSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)Cn2cc[nH+]c2)[C@H](C)CO1 ZINC000617722898 365729407 /nfs/dbraw/zinc/72/94/07/365729407.db2.gz GPRHQIPCFMVYHQ-VXGBXAGGSA-N 2 2 266.345 0.109 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)Cn2cc[nH+]c2)[C@H](C)CO1 ZINC000617722898 365729411 /nfs/dbraw/zinc/72/94/11/365729411.db2.gz GPRHQIPCFMVYHQ-VXGBXAGGSA-N 2 2 266.345 0.109 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)CO1 ZINC000617723670 365729567 /nfs/dbraw/zinc/72/95/67/365729567.db2.gz PRWAJKITPWVZPD-UPJWGTAASA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)CO1 ZINC000617723670 365729572 /nfs/dbraw/zinc/72/95/72/365729572.db2.gz PRWAJKITPWVZPD-UPJWGTAASA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CC[N@H+](C)C2)[C@H](C)CO1 ZINC000617723670 365729582 /nfs/dbraw/zinc/72/95/82/365729582.db2.gz PRWAJKITPWVZPD-UPJWGTAASA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](C)CO1 ZINC000617723670 365729591 /nfs/dbraw/zinc/72/95/91/365729591.db2.gz PRWAJKITPWVZPD-UPJWGTAASA-N 2 2 269.389 0.164 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000113438445 349811297 /nfs/dbraw/zinc/81/12/97/349811297.db2.gz OFRQLVAKMGIJHL-GFCCVEGCSA-N 2 2 277.372 0.148 20 0 CCADLP Cc1cnn(C)c1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617762241 365764823 /nfs/dbraw/zinc/76/48/23/365764823.db2.gz KOSNEWGUPGHJBG-UHFFFAOYSA-N 2 2 281.404 0.342 20 0 CCADLP Cc1cnn(C)c1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617762241 365764829 /nfs/dbraw/zinc/76/48/29/365764829.db2.gz KOSNEWGUPGHJBG-UHFFFAOYSA-N 2 2 281.404 0.342 20 0 CCADLP Cc1n[nH]c(C)c1CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767780 365774238 /nfs/dbraw/zinc/77/42/38/365774238.db2.gz CGHIMAKSVXNODN-UHFFFAOYSA-N 2 2 295.431 0.569 20 0 CCADLP Cc1n[nH]c(C)c1CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767780 365774244 /nfs/dbraw/zinc/77/42/44/365774244.db2.gz CGHIMAKSVXNODN-UHFFFAOYSA-N 2 2 295.431 0.569 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCc2cccnc2)C1 ZINC000114477383 349832706 /nfs/dbraw/zinc/83/27/06/349832706.db2.gz APPLYVJACBDKRZ-CQSZACIVSA-N 2 2 276.384 0.581 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCc2cccnc2)C1 ZINC000114477383 349832709 /nfs/dbraw/zinc/83/27/09/349832709.db2.gz APPLYVJACBDKRZ-CQSZACIVSA-N 2 2 276.384 0.581 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)CN1CC[NH+](C)CC1 ZINC000114379706 349828466 /nfs/dbraw/zinc/82/84/66/349828466.db2.gz PZLMCDRLBGXLCT-ZIAGYGMSSA-N 2 2 282.432 0.080 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)CN1CC[NH+](C)CC1 ZINC000114379706 349828469 /nfs/dbraw/zinc/82/84/69/349828469.db2.gz PZLMCDRLBGXLCT-ZIAGYGMSSA-N 2 2 282.432 0.080 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@@H](CO)C2)n1C ZINC000425324223 529807465 /nfs/dbraw/zinc/80/74/65/529807465.db2.gz LYBVAOUCZFRJMZ-LLVKDONJSA-N 2 2 252.362 0.690 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@@H](CO)C2)n1C ZINC000425324223 529807466 /nfs/dbraw/zinc/80/74/66/529807466.db2.gz LYBVAOUCZFRJMZ-LLVKDONJSA-N 2 2 252.362 0.690 20 0 CCADLP C[C@H](O)CCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000336788286 290070387 /nfs/dbraw/zinc/07/03/87/290070387.db2.gz GVSXGJMLMVVJFL-KBPBESRZSA-N 2 2 256.390 0.802 20 0 CCADLP C[C@H](O)CCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000336788286 290070391 /nfs/dbraw/zinc/07/03/91/290070391.db2.gz GVSXGJMLMVVJFL-KBPBESRZSA-N 2 2 256.390 0.802 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000423742708 529911017 /nfs/dbraw/zinc/91/10/17/529911017.db2.gz JJNDEUZJMQMMPG-CQSZACIVSA-N 2 2 283.416 0.557 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000423749287 529911475 /nfs/dbraw/zinc/91/14/75/529911475.db2.gz RLGHMPCMXGFRIN-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000418373961 290711129 /nfs/dbraw/zinc/71/11/29/290711129.db2.gz VODPOTZRNPWGMK-UONOGXRCSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH2+]CCCC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000423876963 529961848 /nfs/dbraw/zinc/96/18/48/529961848.db2.gz SNZXVVHYQPGIJQ-AWEZNQCLSA-N 2 2 283.416 0.555 20 0 CCADLP C[NH2+]CCCC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000423876963 529961849 /nfs/dbraw/zinc/96/18/49/529961849.db2.gz SNZXVVHYQPGIJQ-AWEZNQCLSA-N 2 2 283.416 0.555 20 0 CCADLP C[NH2+]CCCNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000418286004 529967948 /nfs/dbraw/zinc/96/79/48/529967948.db2.gz QKHSTKVFRRQAIN-ZDUSSCGKSA-N 2 2 278.356 0.854 20 0 CCADLP C[N@@H+](Cc1cccc2c1OC(F)(F)O2)C[C@H](O)C[NH3+] ZINC000415070227 529996080 /nfs/dbraw/zinc/99/60/80/529996080.db2.gz QEJNLFYHTDRDHA-SECBINFHSA-N 2 2 274.267 0.760 20 0 CCADLP C[N@H+](Cc1cccc2c1OC(F)(F)O2)C[C@H](O)C[NH3+] ZINC000415070227 529996081 /nfs/dbraw/zinc/99/60/81/529996081.db2.gz QEJNLFYHTDRDHA-SECBINFHSA-N 2 2 274.267 0.760 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000423862029 529993311 /nfs/dbraw/zinc/99/33/11/529993311.db2.gz FCSZIRAHNGHVBA-JSGCOSHPSA-N 2 2 283.416 0.411 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000423862029 529993313 /nfs/dbraw/zinc/99/33/13/529993313.db2.gz FCSZIRAHNGHVBA-JSGCOSHPSA-N 2 2 283.416 0.411 20 0 CCADLP C[NH+]1CCC(CCO)(NC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492904514 530049184 /nfs/dbraw/zinc/04/91/84/530049184.db2.gz XDFWTTONNBRBSN-NSCUHMNNSA-N 2 2 278.356 0.386 20 0 CCADLP COCc1nc2n(n1)C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)CC2 ZINC000358281913 232073968 /nfs/dbraw/zinc/07/39/68/232073968.db2.gz DLWQOOCZTDDBKX-TUAOUCFPSA-N 2 2 279.388 0.279 20 0 CCADLP COCc1nc2n(n1)C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)CC2 ZINC000358281913 232073971 /nfs/dbraw/zinc/07/39/71/232073971.db2.gz DLWQOOCZTDDBKX-TUAOUCFPSA-N 2 2 279.388 0.279 20 0 CCADLP CO[C@H]1CC[N@H+](CCC(=O)Nc2cccnc2)[C@H](C[NH3+])C1 ZINC000358359779 232088060 /nfs/dbraw/zinc/08/80/60/232088060.db2.gz SBDSLFNOPDKEFA-KBPBESRZSA-N 2 2 292.383 0.848 20 0 CCADLP CO[C@H]1CC[N@@H+](CCC(=O)Nc2cccnc2)[C@H](C[NH3+])C1 ZINC000358359779 232088063 /nfs/dbraw/zinc/08/80/63/232088063.db2.gz SBDSLFNOPDKEFA-KBPBESRZSA-N 2 2 292.383 0.848 20 0 CCADLP COC(=O)c1cc(C[NH2+][C@H](C)CC[NH+](C)C)on1 ZINC000602534205 362662921 /nfs/dbraw/zinc/66/29/21/362662921.db2.gz PEHABXGRIZSDEJ-SECBINFHSA-N 2 2 255.318 0.891 20 0 CCADLP CC[C@H](C(=O)NCCC[NH+](C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000339228313 215028242 /nfs/dbraw/zinc/02/82/42/215028242.db2.gz MPCYJGVNSWHFFW-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP CC[C@H](C(=O)NCCC[NH+](C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000339228313 215028245 /nfs/dbraw/zinc/02/82/45/215028245.db2.gz MPCYJGVNSWHFFW-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP CC[C@H](C(=O)NCC[NH+](C)C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339236161 215032295 /nfs/dbraw/zinc/03/22/95/215032295.db2.gz RNMIDWLHQGQMCT-QWHCGFSZSA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@H](C(=O)NCC[NH+](C)C)[N@H+]1CCO[C@@H](CC)C1 ZINC000339236161 215032298 /nfs/dbraw/zinc/03/22/98/215032298.db2.gz RNMIDWLHQGQMCT-QWHCGFSZSA-N 2 2 271.405 0.554 20 0 CCADLP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CC[NH+](CCO)CC1 ZINC000295606400 199585210 /nfs/dbraw/zinc/58/52/10/199585210.db2.gz GAJAFCBLKYZYRW-CQSZACIVSA-N 2 2 277.368 0.131 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)CC1(O)CCOCC1 ZINC000128472386 187372505 /nfs/dbraw/zinc/37/25/05/187372505.db2.gz TUXWPTGKZLXWTR-UHFFFAOYSA-N 2 2 253.346 0.747 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)CC1(O)CCOCC1 ZINC000128472386 187372506 /nfs/dbraw/zinc/37/25/06/187372506.db2.gz TUXWPTGKZLXWTR-UHFFFAOYSA-N 2 2 253.346 0.747 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[S@@](=O)CC1(C)C ZINC000602813104 362813498 /nfs/dbraw/zinc/81/34/98/362813498.db2.gz DWDUOMCIYGTSCH-QGZVFWFLSA-N 2 2 255.387 0.806 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CC[S@@](=O)CC1(C)C ZINC000602813104 362813504 /nfs/dbraw/zinc/81/35/04/362813504.db2.gz DWDUOMCIYGTSCH-QGZVFWFLSA-N 2 2 255.387 0.806 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(CCc2c[nH+]cn2C)[C@H](C)C1 ZINC000602805120 362810562 /nfs/dbraw/zinc/81/05/62/362810562.db2.gz MUGIIYOCSSEFPL-CYBMUJFWSA-N 2 2 294.399 0.532 20 0 CCADLP COC(=O)CC[N@H+]1CCN(CCc2c[nH+]cn2C)[C@H](C)C1 ZINC000602805120 362810565 /nfs/dbraw/zinc/81/05/65/362810565.db2.gz MUGIIYOCSSEFPL-CYBMUJFWSA-N 2 2 294.399 0.532 20 0 CCADLP COC(=O)CCN1CC[N@H+](CCc2c[nH+]cn2C)[C@H](C)C1 ZINC000602805120 362810571 /nfs/dbraw/zinc/81/05/71/362810571.db2.gz MUGIIYOCSSEFPL-CYBMUJFWSA-N 2 2 294.399 0.532 20 0 CCADLP COC(=O)CCN1CC[N@@H+](CCc2c[nH+]cn2C)[C@H](C)C1 ZINC000602805120 362810575 /nfs/dbraw/zinc/81/05/75/362810575.db2.gz MUGIIYOCSSEFPL-CYBMUJFWSA-N 2 2 294.399 0.532 20 0 CCADLP O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000165684182 136843736 /nfs/dbraw/zinc/84/37/36/136843736.db2.gz SJXZLIXXBJRGSF-KBPBESRZSA-N 2 2 281.400 0.452 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C)C(C)C ZINC000252112322 137002442 /nfs/dbraw/zinc/00/24/42/137002442.db2.gz JSVDXTCDNCPRSN-SCDSUCTJSA-N 2 2 269.389 0.385 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C)C(C)C ZINC000252112322 137002443 /nfs/dbraw/zinc/00/24/43/137002443.db2.gz JSVDXTCDNCPRSN-SCDSUCTJSA-N 2 2 269.389 0.385 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N2CCNC2=O)C[C@H]1n1cc[nH+]c1 ZINC000252745298 137003810 /nfs/dbraw/zinc/00/38/10/137003810.db2.gz OLZYLUXMRPKFBZ-VXGBXAGGSA-N 2 2 291.355 0.318 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCNC2=O)C[C@H]1n1cc[nH+]c1 ZINC000252745298 137003811 /nfs/dbraw/zinc/00/38/11/137003811.db2.gz OLZYLUXMRPKFBZ-VXGBXAGGSA-N 2 2 291.355 0.318 20 0 CCADLP O=C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)NCc1ccccc1 ZINC000261541683 137007387 /nfs/dbraw/zinc/00/73/87/137007387.db2.gz GBKRHZAXYGRUEK-INIZCTEOSA-N 2 2 273.380 0.988 20 0 CCADLP O=C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)NCc1ccccc1 ZINC000261541683 137007388 /nfs/dbraw/zinc/00/73/88/137007388.db2.gz GBKRHZAXYGRUEK-INIZCTEOSA-N 2 2 273.380 0.988 20 0 CCADLP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261574200 137009362 /nfs/dbraw/zinc/00/93/62/137009362.db2.gz MNPHGIVTGYVSKD-VXGBXAGGSA-N 2 2 253.390 0.833 20 0 CCADLP CCC(C)(C)NC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261574200 137009363 /nfs/dbraw/zinc/00/93/63/137009363.db2.gz MNPHGIVTGYVSKD-VXGBXAGGSA-N 2 2 253.390 0.833 20 0 CCADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)NC1CCCCC1 ZINC000261591546 137010957 /nfs/dbraw/zinc/01/09/57/137010957.db2.gz MAWWBAJCHPLLJK-QWHCGFSZSA-N 2 2 265.401 0.977 20 0 CCADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)NC1CCCCC1 ZINC000261591546 137010958 /nfs/dbraw/zinc/01/09/58/137010958.db2.gz MAWWBAJCHPLLJK-QWHCGFSZSA-N 2 2 265.401 0.977 20 0 CCADLP O=C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)N1CCCCC1 ZINC000261594555 137011298 /nfs/dbraw/zinc/01/12/98/137011298.db2.gz ZWHYCXQSWCNZOD-AWEZNQCLSA-N 2 2 251.374 0.684 20 0 CCADLP O=C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)N1CCCCC1 ZINC000261594555 137011299 /nfs/dbraw/zinc/01/12/99/137011299.db2.gz ZWHYCXQSWCNZOD-AWEZNQCLSA-N 2 2 251.374 0.684 20 0 CCADLP COCC[NH+]1CCC(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000262692778 137050694 /nfs/dbraw/zinc/05/06/94/137050694.db2.gz APLJCXAKMANLJK-NSHDSACASA-N 2 2 291.342 0.211 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262931806 137055805 /nfs/dbraw/zinc/05/58/05/137055805.db2.gz HWZMUSQLAXFYJX-OUAUKWLOSA-N 2 2 273.327 0.727 20 0 CCADLP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262931806 137055806 /nfs/dbraw/zinc/05/58/06/137055806.db2.gz HWZMUSQLAXFYJX-OUAUKWLOSA-N 2 2 273.327 0.727 20 0 CCADLP c1ccc(C[N@@H+]2CCO[C@H](CNC3=[NH+]CCCN3)C2)cc1 ZINC000261697360 137015878 /nfs/dbraw/zinc/01/58/78/137015878.db2.gz BXTWUDVTDLUJQG-OAHLLOKOSA-N 2 2 288.395 0.826 20 0 CCADLP c1ccc(C[N@H+]2CCO[C@H](CNC3=[NH+]CCCN3)C2)cc1 ZINC000261697360 137015879 /nfs/dbraw/zinc/01/58/79/137015879.db2.gz BXTWUDVTDLUJQG-OAHLLOKOSA-N 2 2 288.395 0.826 20 0 CCADLP Cn1ccc(N2CCC[C@H]([N@@H+]3CC[C@@](C)(C[NH3+])C3)C2=O)n1 ZINC000261702965 137016579 /nfs/dbraw/zinc/01/65/79/137016579.db2.gz LTCNNVFXDVUGPP-WFASDCNBSA-N 2 2 291.399 0.586 20 0 CCADLP Cn1ccc(N2CCC[C@H]([N@H+]3CC[C@@](C)(C[NH3+])C3)C2=O)n1 ZINC000261702965 137016580 /nfs/dbraw/zinc/01/65/80/137016580.db2.gz LTCNNVFXDVUGPP-WFASDCNBSA-N 2 2 291.399 0.586 20 0 CCADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000261726667 137017205 /nfs/dbraw/zinc/01/72/05/137017205.db2.gz NXTTUBBZOREGOC-MRVPVSSYSA-N 2 2 276.262 0.814 20 0 CCADLP O=c1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)nc2ccccn12 ZINC000261752028 137018248 /nfs/dbraw/zinc/01/82/48/137018248.db2.gz TZRXPNCVOWSMGU-TZMCWYRMSA-N 2 2 284.363 0.878 20 0 CCADLP O=c1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)nc2ccccn12 ZINC000261752028 137018249 /nfs/dbraw/zinc/01/82/49/137018249.db2.gz TZRXPNCVOWSMGU-TZMCWYRMSA-N 2 2 284.363 0.878 20 0 CCADLP C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261833539 137022132 /nfs/dbraw/zinc/02/21/32/137022132.db2.gz ZBFJKXDTVHQJOU-GXFFZTMASA-N 2 2 263.345 0.474 20 0 CCADLP C[C@@H](C(=O)Nc1ncccn1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261833539 137022133 /nfs/dbraw/zinc/02/21/33/137022133.db2.gz ZBFJKXDTVHQJOU-GXFFZTMASA-N 2 2 263.345 0.474 20 0 CCADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)C[C@@H](C)[NH3+])CC1 ZINC000261861509 137022683 /nfs/dbraw/zinc/02/26/83/137022683.db2.gz PRFCADFOCGUPMP-SNVBAGLBSA-N 2 2 280.372 0.673 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C[C@H](C)O1 ZINC000261854311 137022733 /nfs/dbraw/zinc/02/27/33/137022733.db2.gz XAEPNYZSQUBGGC-RQJABVFESA-N 2 2 281.400 0.306 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C[C@H](C)O1 ZINC000261854311 137022734 /nfs/dbraw/zinc/02/27/34/137022734.db2.gz XAEPNYZSQUBGGC-RQJABVFESA-N 2 2 281.400 0.306 20 0 CCADLP c1nc2cnccn2c1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261973994 137027235 /nfs/dbraw/zinc/02/72/35/137027235.db2.gz ILXSLPSZOGPGPS-CQSZACIVSA-N 2 2 257.341 0.915 20 0 CCADLP c1nc2cnccn2c1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261973994 137027236 /nfs/dbraw/zinc/02/72/36/137027236.db2.gz ILXSLPSZOGPGPS-CQSZACIVSA-N 2 2 257.341 0.915 20 0 CCADLP CC(C)(C)n1cc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)nn1 ZINC000262178066 137029758 /nfs/dbraw/zinc/02/97/58/137029758.db2.gz WFMJXAZHDYSUBP-CQSZACIVSA-N 2 2 292.431 0.513 20 0 CCADLP CC(C)(C)n1cc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)nn1 ZINC000262178066 137029759 /nfs/dbraw/zinc/02/97/59/137029759.db2.gz WFMJXAZHDYSUBP-CQSZACIVSA-N 2 2 292.431 0.513 20 0 CCADLP O=C(C1C[NH2+]C1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000262239512 137032271 /nfs/dbraw/zinc/03/22/71/137032271.db2.gz NTNSEQVCJVXCIN-UHFFFAOYSA-N 2 2 275.352 0.256 20 0 CCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263180858 137059420 /nfs/dbraw/zinc/05/94/20/137059420.db2.gz GTDALBIHXVBHSL-WDEREUQCSA-N 2 2 275.343 0.784 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263180858 137059421 /nfs/dbraw/zinc/05/94/21/137059421.db2.gz GTDALBIHXVBHSL-WDEREUQCSA-N 2 2 275.343 0.784 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC[C@H](O)C2)CC1 ZINC000305147579 137070261 /nfs/dbraw/zinc/07/02/61/137070261.db2.gz YWPUPYFQMCYONI-AWEZNQCLSA-N 2 2 298.431 0.179 20 0 CCADLP CC(C)CCNC(=O)[C@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000314019533 137078953 /nfs/dbraw/zinc/07/89/53/137078953.db2.gz WOGMURYXFJULRK-GJZGRUSLSA-N 2 2 296.459 0.517 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCCN2CCCC2=O)C1 ZINC000343096061 137115210 /nfs/dbraw/zinc/11/52/10/137115210.db2.gz KPBDGUTVXGBIBI-CHWSQXEVSA-N 2 2 253.390 0.929 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCCN2CCCC2=O)C1 ZINC000343096061 137115211 /nfs/dbraw/zinc/11/52/11/137115211.db2.gz KPBDGUTVXGBIBI-CHWSQXEVSA-N 2 2 253.390 0.929 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH+](C)C ZINC000343179409 137119699 /nfs/dbraw/zinc/11/96/99/137119699.db2.gz ZLJYSOAUOSXDIJ-GHMZBOCLSA-N 2 2 250.346 0.512 20 0 CCADLP O=C([C@@H]1CCC[NH2+]C1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000343557727 137142165 /nfs/dbraw/zinc/14/21/65/137142165.db2.gz WFXLRBFVHAWMQD-GFCCVEGCSA-N 2 2 277.372 0.054 20 0 CCADLP COC(=O)C[N@H+](CCN1CC[NH+](C)CC1)C[C@@H]1C[C@H]1C ZINC000343628834 137146731 /nfs/dbraw/zinc/14/67/31/137146731.db2.gz XLYAVCJBJSRSGS-KGLIPLIRSA-N 2 2 283.416 0.365 20 0 CCADLP COC(=O)C[N@@H+](CCN1CC[NH+](C)CC1)C[C@@H]1C[C@H]1C ZINC000343628834 137146732 /nfs/dbraw/zinc/14/67/32/137146732.db2.gz XLYAVCJBJSRSGS-KGLIPLIRSA-N 2 2 283.416 0.365 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000343654308 137147583 /nfs/dbraw/zinc/14/75/83/137147583.db2.gz OEDCJSBDMJHLQM-RDBSUJKOSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000343654308 137147584 /nfs/dbraw/zinc/14/75/84/137147584.db2.gz OEDCJSBDMJHLQM-RDBSUJKOSA-N 2 2 298.431 0.489 20 0 CCADLP [NH3+]Cc1cc(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)ccn1 ZINC000344102461 137177502 /nfs/dbraw/zinc/17/75/02/137177502.db2.gz OMCLATMZQFSVGO-AWEZNQCLSA-N 2 2 290.367 0.133 20 0 CCADLP [NH3+]Cc1cc(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)ccn1 ZINC000344102461 137177503 /nfs/dbraw/zinc/17/75/03/137177503.db2.gz OMCLATMZQFSVGO-AWEZNQCLSA-N 2 2 290.367 0.133 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)C1 ZINC000343281956 137124483 /nfs/dbraw/zinc/12/44/83/137124483.db2.gz HOWQABHMMHGFGR-GDBMZVCRSA-N 3 2 282.476 0.942 20 0 CCADLP CC[NH+]1CCC([N@@H+]2CCCN(CC(=O)OC)CC2)CC1 ZINC000344375689 137191356 /nfs/dbraw/zinc/19/13/56/137191356.db2.gz TWVPFQXGPSRRNP-UHFFFAOYSA-N 2 2 283.416 0.651 20 0 CCADLP CC[NH+]1CCC([N@H+]2CCCN(CC(=O)OC)CC2)CC1 ZINC000344375689 137191357 /nfs/dbraw/zinc/19/13/57/137191357.db2.gz TWVPFQXGPSRRNP-UHFFFAOYSA-N 2 2 283.416 0.651 20 0 CCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cccnc1 ZINC000035125511 348157801 /nfs/dbraw/zinc/15/78/01/348157801.db2.gz PWZYJVLHHZHKAD-GFCCVEGCSA-N 2 2 262.357 0.506 20 0 CCADLP C[N@H+](CC(=O)NCc1ccccc1)C1CC[NH2+]CC1 ZINC000036301724 348165927 /nfs/dbraw/zinc/16/59/27/348165927.db2.gz LLYLSDOFTKQGPP-UHFFFAOYSA-N 2 2 261.369 0.987 20 0 CCADLP C[N@@H+](CC(=O)NCc1ccccc1)C1CC[NH2+]CC1 ZINC000036301724 348165928 /nfs/dbraw/zinc/16/59/28/348165928.db2.gz LLYLSDOFTKQGPP-UHFFFAOYSA-N 2 2 261.369 0.987 20 0 CCADLP [NH3+]CCC[NH+]1CCN(C(=O)NC2CCCCC2)CC1 ZINC000037037821 348182607 /nfs/dbraw/zinc/18/26/07/348182607.db2.gz SBFZBVKYFYGGJW-UHFFFAOYSA-N 2 2 268.405 0.995 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000037800351 348205194 /nfs/dbraw/zinc/20/51/94/348205194.db2.gz BWGNMGOXBDBIBQ-AWEZNQCLSA-N 2 2 276.384 0.709 20 0 CCADLP O=C([C@H]1CCC[NH2+]C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000037802768 348206752 /nfs/dbraw/zinc/20/67/52/348206752.db2.gz JVFOSOKVPZZOBY-AWEZNQCLSA-N 2 2 288.395 0.725 20 0 CCADLP CC(C)C[C@H](CNC(=O)C[NH2+]CC1CC1)[NH+]1CCOCC1 ZINC000040824690 348243521 /nfs/dbraw/zinc/24/35/21/348243521.db2.gz VNMSHVLNXWHSSY-OAHLLOKOSA-N 2 2 297.443 0.849 20 0 CCADLP CSCC[C@H]([NH3+])C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000040462026 348234867 /nfs/dbraw/zinc/23/48/67/348234867.db2.gz GCZQQZRPFHBGSZ-UWVGGRQHSA-N 2 2 256.375 0.468 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@H]([NH3+])CC(F)F)[NH+]1CCOCC1 ZINC000345721781 137248299 /nfs/dbraw/zinc/24/82/99/137248299.db2.gz VWJISNFDXMKSEA-IVZWLZJFSA-N 2 2 279.331 0.194 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000346274299 137276194 /nfs/dbraw/zinc/27/61/94/137276194.db2.gz PXBJBBPKZXEYNI-UPJWGTAASA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000346274299 137276195 /nfs/dbraw/zinc/27/61/95/137276195.db2.gz PXBJBBPKZXEYNI-UPJWGTAASA-N 2 2 269.389 0.341 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(CC2CC[NH2+]CC2)CC1 ZINC000346994675 137314611 /nfs/dbraw/zinc/31/46/11/137314611.db2.gz UXAFHPYPNIFXGT-CQSZACIVSA-N 2 2 255.406 0.375 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000347514325 137340519 /nfs/dbraw/zinc/34/05/19/137340519.db2.gz FRHAMBFWYQNCCP-GFCCVEGCSA-N 2 2 289.379 0.740 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000347514325 137340520 /nfs/dbraw/zinc/34/05/20/137340520.db2.gz FRHAMBFWYQNCCP-GFCCVEGCSA-N 2 2 289.379 0.740 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000347289930 137329301 /nfs/dbraw/zinc/32/93/01/137329301.db2.gz UHVMVDHUXGKBFD-LBPRGKRZSA-N 2 2 267.373 0.062 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000347289930 137329302 /nfs/dbraw/zinc/32/93/02/137329302.db2.gz UHVMVDHUXGKBFD-LBPRGKRZSA-N 2 2 267.373 0.062 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000347289929 137329566 /nfs/dbraw/zinc/32/95/66/137329566.db2.gz UHVMVDHUXGKBFD-GFCCVEGCSA-N 2 2 267.373 0.062 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000347289929 137329567 /nfs/dbraw/zinc/32/95/67/137329567.db2.gz UHVMVDHUXGKBFD-GFCCVEGCSA-N 2 2 267.373 0.062 20 0 CCADLP COC1CC([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000347358757 137332751 /nfs/dbraw/zinc/33/27/51/137332751.db2.gz MMNLIKQZZRADQJ-MCIGGMRASA-N 2 2 255.362 0.093 20 0 CCADLP COC1CC([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000347358757 137332752 /nfs/dbraw/zinc/33/27/52/137332752.db2.gz MMNLIKQZZRADQJ-MCIGGMRASA-N 2 2 255.362 0.093 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)CCCC[NH+]1CCOCC1 ZINC000347611894 137345343 /nfs/dbraw/zinc/34/53/43/137345343.db2.gz DXBNOOSTYIFDKA-UHFFFAOYSA-N 2 2 280.372 0.539 20 0 CCADLP CC[NH+]1CCC(N(C)C(=O)[C@@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000348882575 137379881 /nfs/dbraw/zinc/37/98/81/137379881.db2.gz YYJVZAUHLVOJFP-CQSZACIVSA-N 2 2 296.459 0.565 20 0 CCADLP C[C@@H](C[NH+]1CCCCC1)NC[C@H](O)C[NH+]1CCOCC1 ZINC000049501174 348455611 /nfs/dbraw/zinc/45/56/11/348455611.db2.gz BUHXDFRBLUUAOR-GJZGRUSLSA-N 2 2 285.432 0.144 20 0 CCADLP C[C@H](C[NH3+])C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000054340780 348552522 /nfs/dbraw/zinc/55/25/22/348552522.db2.gz RVSMPOFMTOCTNR-GFCCVEGCSA-N 2 2 262.357 0.321 20 0 CCADLP C[C@H](C[NH3+])C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000054344130 348552588 /nfs/dbraw/zinc/55/25/88/348552588.db2.gz YCWKNZBJGWCSRP-CYBMUJFWSA-N 2 2 291.395 0.730 20 0 CCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)[C@H]1CCCC[NH2+]1 ZINC000060310683 348641514 /nfs/dbraw/zinc/64/15/14/348641514.db2.gz OZHOGKBWSOBNAG-QWHCGFSZSA-N 2 2 274.368 0.919 20 0 CCADLP O[C@@H](CN1CCC[C@@H]1C[NH+]1CCCC1)C[NH+]1CCOCC1 ZINC000066665242 348753323 /nfs/dbraw/zinc/75/33/23/348753323.db2.gz JHWHBRLNCCEVJS-HZPDHXFCSA-N 2 2 297.443 0.240 20 0 CCADLP CN1CC[N@H+](C)[C@H](CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000068810456 348823800 /nfs/dbraw/zinc/82/38/00/348823800.db2.gz TZTFQIDRCZJAGQ-MJBXVCDLSA-N 2 2 282.432 0.256 20 0 CCADLP CN1CC[N@@H+](C)[C@H](CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000068810456 348823802 /nfs/dbraw/zinc/82/38/02/348823802.db2.gz TZTFQIDRCZJAGQ-MJBXVCDLSA-N 2 2 282.432 0.256 20 0 CCADLP CC[C@@H](C)NC(=O)CC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000070143729 348873629 /nfs/dbraw/zinc/87/36/29/348873629.db2.gz QNULUFNKIZMJIM-LLVKDONJSA-N 2 2 281.404 0.881 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000072858529 348935813 /nfs/dbraw/zinc/93/58/13/348935813.db2.gz XPRIFIJCMWRIQT-ZDUSSCGKSA-N 2 2 299.415 0.282 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000072858529 348935816 /nfs/dbraw/zinc/93/58/16/348935816.db2.gz XPRIFIJCMWRIQT-ZDUSSCGKSA-N 2 2 299.415 0.282 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000072858529 348935819 /nfs/dbraw/zinc/93/58/19/348935819.db2.gz XPRIFIJCMWRIQT-ZDUSSCGKSA-N 2 2 299.415 0.282 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000072858529 348935823 /nfs/dbraw/zinc/93/58/23/348935823.db2.gz XPRIFIJCMWRIQT-ZDUSSCGKSA-N 2 2 299.415 0.282 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)CCN1CC[NH2+]CC1 ZINC000071150952 348905014 /nfs/dbraw/zinc/90/50/14/348905014.db2.gz BJVRJXNAPUDERZ-UHFFFAOYSA-N 3 2 251.378 0.110 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)CCN1CC[NH2+]CC1 ZINC000071150952 348905015 /nfs/dbraw/zinc/90/50/15/348905015.db2.gz BJVRJXNAPUDERZ-UHFFFAOYSA-N 3 2 251.378 0.110 20 0 CCADLP C(CN1CCOCC1)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000075768336 349050484 /nfs/dbraw/zinc/05/04/84/349050484.db2.gz QEGAROJEJNXXFM-MRXNPFEDSA-N 2 2 297.443 0.363 20 0 CCADLP C(CN1CCOCC1)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000075768336 349050486 /nfs/dbraw/zinc/05/04/86/349050486.db2.gz QEGAROJEJNXXFM-MRXNPFEDSA-N 2 2 297.443 0.363 20 0 CCADLP OCC[N@@H+]1CCCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000077217877 349102888 /nfs/dbraw/zinc/10/28/88/349102888.db2.gz XCJUNZLDTBEIOE-UHFFFAOYSA-N 2 2 288.355 0.167 20 0 CCADLP OCC[N@H+]1CCCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000077217877 349102889 /nfs/dbraw/zinc/10/28/89/349102889.db2.gz XCJUNZLDTBEIOE-UHFFFAOYSA-N 2 2 288.355 0.167 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000339617478 215270437 /nfs/dbraw/zinc/27/04/37/215270437.db2.gz PFLBYEPUTOAOKY-MELADBBJSA-N 2 2 255.406 0.732 20 0 CCADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NC(=O)NCC)C1 ZINC000081569453 349275416 /nfs/dbraw/zinc/27/54/16/349275416.db2.gz SUVUOXVZDYLUFR-GFCCVEGCSA-N 2 2 284.404 0.496 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NC(=O)NCC)C1 ZINC000081569453 349275417 /nfs/dbraw/zinc/27/54/17/349275417.db2.gz SUVUOXVZDYLUFR-GFCCVEGCSA-N 2 2 284.404 0.496 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC(=O)NCC)C1 ZINC000081569453 349275419 /nfs/dbraw/zinc/27/54/19/349275419.db2.gz SUVUOXVZDYLUFR-GFCCVEGCSA-N 2 2 284.404 0.496 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC(=O)NCC)C1 ZINC000081569453 349275421 /nfs/dbraw/zinc/27/54/21/349275421.db2.gz SUVUOXVZDYLUFR-GFCCVEGCSA-N 2 2 284.404 0.496 20 0 CCADLP CN1CC[C@H]([N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)C1=O ZINC000081630598 349278676 /nfs/dbraw/zinc/27/86/76/349278676.db2.gz FCLVURZTILOHJS-KGLIPLIRSA-N 2 2 265.401 0.881 20 0 CCADLP CN1CC[C@H]([N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)C1=O ZINC000081630598 349278680 /nfs/dbraw/zinc/27/86/80/349278680.db2.gz FCLVURZTILOHJS-KGLIPLIRSA-N 2 2 265.401 0.881 20 0 CCADLP CN1CC[C@H]([NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)C1=O ZINC000081630598 349278684 /nfs/dbraw/zinc/27/86/84/349278684.db2.gz FCLVURZTILOHJS-KGLIPLIRSA-N 2 2 265.401 0.881 20 0 CCADLP CN1CC[C@H]([NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)C1=O ZINC000081630598 349278685 /nfs/dbraw/zinc/27/86/85/349278685.db2.gz FCLVURZTILOHJS-KGLIPLIRSA-N 2 2 265.401 0.881 20 0 CCADLP C[C@H](NC(=O)Cn1cc[nH+]c1)C(C)(C)C[NH+](C)C ZINC000085290554 349331464 /nfs/dbraw/zinc/33/14/64/349331464.db2.gz UZQINCVFBIOVDU-NSHDSACASA-N 2 2 252.362 0.976 20 0 CCADLP CC(C)[C@@H](C[NH3+])C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000087524470 349351186 /nfs/dbraw/zinc/35/11/86/349351186.db2.gz VYJFKJXNKKQVKO-OAHLLOKOSA-N 2 2 290.411 0.957 20 0 CCADLP [NH3+]C1(C(=O)N2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000088130549 349356569 /nfs/dbraw/zinc/35/65/69/349356569.db2.gz KAOHJTMTSRHRSF-UHFFFAOYSA-N 2 2 260.341 0.217 20 0 CCADLP CCOCCNC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000084694604 349324766 /nfs/dbraw/zinc/32/47/66/349324766.db2.gz OJBLOKPARXHWMM-UHFFFAOYSA-N 2 2 280.372 0.673 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)CCCn2cc[nH+]c2)[C@@H](C)C1 ZINC000684483096 545682509 /nfs/dbraw/zinc/68/25/09/545682509.db2.gz YBAGKOBMDLGNIR-UONOGXRCSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)CCCn2cc[nH+]c2)[C@@H](C)C1 ZINC000684483096 545682513 /nfs/dbraw/zinc/68/25/13/545682513.db2.gz YBAGKOBMDLGNIR-UONOGXRCSA-N 2 2 294.399 0.577 20 0 CCADLP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2COCC[NH2+]2)cc1 ZINC000088370130 349362813 /nfs/dbraw/zinc/36/28/13/349362813.db2.gz FBQXMSQJYJKSEO-AWEZNQCLSA-N 2 2 293.367 0.554 20 0 CCADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)[C@@H]1CCC[NH2+]1 ZINC000120866101 350010257 /nfs/dbraw/zinc/01/02/57/350010257.db2.gz DXNKBFSEVPLWLL-LBPRGKRZSA-N 2 2 271.324 0.636 20 0 CCADLP CCCCC[N@H+](CCO)CC(=O)N1CC[NH+](C)CC1 ZINC000121057331 350020248 /nfs/dbraw/zinc/02/02/48/350020248.db2.gz OTHMEACQEJFUAF-UHFFFAOYSA-N 2 2 271.405 0.245 20 0 CCADLP CCCCC[N@@H+](CCO)CC(=O)N1CC[NH+](C)CC1 ZINC000121057331 350020251 /nfs/dbraw/zinc/02/02/51/350020251.db2.gz OTHMEACQEJFUAF-UHFFFAOYSA-N 2 2 271.405 0.245 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCCSCC2)CC1 ZINC000089980182 349417629 /nfs/dbraw/zinc/41/76/29/349417629.db2.gz KNTXLSJFRDSPFT-CYBMUJFWSA-N 2 2 285.457 0.978 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCCSCC2)CC1 ZINC000089980182 349417633 /nfs/dbraw/zinc/41/76/33/349417633.db2.gz KNTXLSJFRDSPFT-CYBMUJFWSA-N 2 2 285.457 0.978 20 0 CCADLP CCONC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000121326177 350033270 /nfs/dbraw/zinc/03/32/70/350033270.db2.gz GPAQOVUATTZAIK-PBWFPOADSA-N 2 2 296.415 0.890 20 0 CCADLP CCONC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000121326177 350033272 /nfs/dbraw/zinc/03/32/72/350033272.db2.gz GPAQOVUATTZAIK-PBWFPOADSA-N 2 2 296.415 0.890 20 0 CCADLP CC[N@H+](CC(=O)NCCc1c[nH+]cn1C)C1CC1 ZINC000121569382 350046559 /nfs/dbraw/zinc/04/65/59/350046559.db2.gz JIKXXZXOMZWDLV-UHFFFAOYSA-N 2 2 250.346 0.563 20 0 CCADLP CC[N@@H+](CC(=O)NCCc1c[nH+]cn1C)C1CC1 ZINC000121569382 350046562 /nfs/dbraw/zinc/04/65/62/350046562.db2.gz JIKXXZXOMZWDLV-UHFFFAOYSA-N 2 2 250.346 0.563 20 0 CCADLP CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000123827936 350083896 /nfs/dbraw/zinc/08/38/96/350083896.db2.gz SXFWEQVSKJTKNA-NSHDSACASA-N 2 2 293.371 0.130 20 0 CCADLP CNC(=O)NC(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000123827936 350083898 /nfs/dbraw/zinc/08/38/98/350083898.db2.gz SXFWEQVSKJTKNA-NSHDSACASA-N 2 2 293.371 0.130 20 0 CCADLP c1cn(CC[NH+]2CCN(c3ncccn3)CC2)c[nH+]1 ZINC000123773531 350083035 /nfs/dbraw/zinc/08/30/35/350083035.db2.gz FVSWNVMDTHDDCT-UHFFFAOYSA-N 2 2 258.329 0.495 20 0 CCADLP CC1CCN(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000122671357 350067558 /nfs/dbraw/zinc/06/75/58/350067558.db2.gz XCOKICFTESYVJN-LBPRGKRZSA-N 2 2 254.378 0.413 20 0 CCADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(=O)n3[nH]ccc3n2)CC[N@@H+]1C ZINC000124040724 350088455 /nfs/dbraw/zinc/08/84/55/350088455.db2.gz FKKXZHZPKVKTAL-YPMHNXCESA-N 2 2 289.383 0.937 20 0 CCADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(=O)n3[nH]ccc3n2)CC[N@H+]1C ZINC000124040724 350088457 /nfs/dbraw/zinc/08/84/57/350088457.db2.gz FKKXZHZPKVKTAL-YPMHNXCESA-N 2 2 289.383 0.937 20 0 CCADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(=O)n3[nH]ccc3n2)CC[NH+]1C ZINC000124040724 350088459 /nfs/dbraw/zinc/08/84/59/350088459.db2.gz FKKXZHZPKVKTAL-YPMHNXCESA-N 2 2 289.383 0.937 20 0 CCADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(=O)n3[nH]ccc3n2)CC[NH+]1C ZINC000124040724 350088460 /nfs/dbraw/zinc/08/84/60/350088460.db2.gz FKKXZHZPKVKTAL-YPMHNXCESA-N 2 2 289.383 0.937 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2c[nH]c3ccccc23)[C@H](C[NH3+])C1 ZINC000124310707 350095612 /nfs/dbraw/zinc/09/56/12/350095612.db2.gz SRLAZQQYHMUMQA-CYBMUJFWSA-N 2 2 286.379 0.812 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2c[nH]c3ccccc23)[C@H](C[NH3+])C1 ZINC000124310707 350095614 /nfs/dbraw/zinc/09/56/14/350095614.db2.gz SRLAZQQYHMUMQA-CYBMUJFWSA-N 2 2 286.379 0.812 20 0 CCADLP COc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000124354001 350096265 /nfs/dbraw/zinc/09/62/65/350096265.db2.gz NHZWEZAMIKXSIN-LBPRGKRZSA-N 2 2 278.356 0.802 20 0 CCADLP COc1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000124354001 350096270 /nfs/dbraw/zinc/09/62/70/350096270.db2.gz NHZWEZAMIKXSIN-LBPRGKRZSA-N 2 2 278.356 0.802 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000125770703 350129662 /nfs/dbraw/zinc/12/96/62/350129662.db2.gz SZOJDODQXXCYTC-RWMBFGLXSA-N 2 2 298.431 0.883 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000125770703 350129665 /nfs/dbraw/zinc/12/96/65/350129665.db2.gz SZOJDODQXXCYTC-RWMBFGLXSA-N 2 2 298.431 0.883 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000125770703 350129670 /nfs/dbraw/zinc/12/96/70/350129670.db2.gz SZOJDODQXXCYTC-RWMBFGLXSA-N 2 2 298.431 0.883 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000125770703 350129675 /nfs/dbraw/zinc/12/96/75/350129675.db2.gz SZOJDODQXXCYTC-RWMBFGLXSA-N 2 2 298.431 0.883 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCCF)CC1 ZINC000127731050 350176733 /nfs/dbraw/zinc/17/67/33/350176733.db2.gz MZTXFPIMKCYXIJ-UHFFFAOYSA-N 2 2 259.369 0.832 20 0 CCADLP CCC[C@](C)(O)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000127453885 350169930 /nfs/dbraw/zinc/16/99/30/350169930.db2.gz LJEACYJOSPPIDI-HNNXBMFYSA-N 2 2 285.432 0.680 20 0 CCADLP CC[NH+]1CCC(NC(=O)N(C)CC[NH+]2CCOCC2)CC1 ZINC000105084213 186041475 /nfs/dbraw/zinc/04/14/75/186041475.db2.gz JNLQRLZLSMWMNW-UHFFFAOYSA-N 2 2 298.431 0.444 20 0 CCADLP CC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000130258528 350232842 /nfs/dbraw/zinc/23/28/42/350232842.db2.gz NMZMSZDPFVNRHU-LSDHHAIUSA-N 2 2 291.395 0.741 20 0 CCADLP CC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000130258528 350232845 /nfs/dbraw/zinc/23/28/45/350232845.db2.gz NMZMSZDPFVNRHU-LSDHHAIUSA-N 2 2 291.395 0.741 20 0 CCADLP CCC(=O)N1CCC[N@H+](CCn2cc[nH+]c2)CC1 ZINC000130725647 350246090 /nfs/dbraw/zinc/24/60/90/350246090.db2.gz YTJIBBMGXOPHCC-UHFFFAOYSA-N 2 2 250.346 0.827 20 0 CCADLP CCC(=O)N1CCC[N@@H+](CCn2cc[nH+]c2)CC1 ZINC000130725647 350246099 /nfs/dbraw/zinc/24/60/99/350246099.db2.gz YTJIBBMGXOPHCC-UHFFFAOYSA-N 2 2 250.346 0.827 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[NH+](CC(C)C)CC1 ZINC000134880290 350378402 /nfs/dbraw/zinc/37/84/02/350378402.db2.gz UMJDHWGFRUTULV-UHFFFAOYSA-N 2 2 265.361 0.845 20 0 CCADLP Cc1ccc([C@H](CNC(=O)[C@@H](C)[NH3+])[NH+]2CCOCC2)s1 ZINC000157397220 350644688 /nfs/dbraw/zinc/64/46/88/350644688.db2.gz QHHOJEIASCRMHO-NEPJUHHUSA-N 2 2 297.424 0.893 20 0 CCADLP Cn1c[nH+]cc1[C@H]1NC(=[NH2+])Nc2nc3ccccc3n21 ZINC000159002523 350665883 /nfs/dbraw/zinc/66/58/83/350665883.db2.gz CJJHOJSAZKHGDL-NSHDSACASA-N 2 2 267.296 0.866 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000163211817 350762593 /nfs/dbraw/zinc/76/25/93/350762593.db2.gz AOZXYSPRZRXPTP-GHMZBOCLSA-N 2 2 270.377 0.137 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000163211817 350762597 /nfs/dbraw/zinc/76/25/97/350762597.db2.gz AOZXYSPRZRXPTP-GHMZBOCLSA-N 2 2 270.377 0.137 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)CCN1C(=O)CCC1=O ZINC000162301409 350740729 /nfs/dbraw/zinc/74/07/29/350740729.db2.gz VNWMWMGEBBSPAA-UHFFFAOYSA-N 2 2 264.329 0.354 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000164235653 350776858 /nfs/dbraw/zinc/77/68/58/350776858.db2.gz IROFIZIJOWYRIE-LLVKDONJSA-N 2 2 260.341 0.849 20 0 CCADLP C[C@H]([NH3+])C(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000168171431 350822065 /nfs/dbraw/zinc/82/20/65/350822065.db2.gz XARDTYNSBLORDQ-NWDGAFQWSA-N 2 2 297.424 0.927 20 0 CCADLP C[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000165841371 350793873 /nfs/dbraw/zinc/79/38/73/350793873.db2.gz NJRJRPCVWREFMH-NSHDSACASA-N 2 2 290.367 0.360 20 0 CCADLP O=C([C@H]1CSC[NH2+]1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000167401028 350809730 /nfs/dbraw/zinc/80/97/30/350809730.db2.gz UPDGPYHHHCOSFU-QWHCGFSZSA-N 2 2 299.440 0.220 20 0 CCADLP C[NH+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000170710910 350854430 /nfs/dbraw/zinc/85/44/30/350854430.db2.gz TUNGVLIYPHENPD-UHFFFAOYSA-N 2 2 283.416 0.699 20 0 CCADLP C[NH+](C)CC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000171367422 350904061 /nfs/dbraw/zinc/90/40/61/350904061.db2.gz JMLCMWDUFQLYAH-UHFFFAOYSA-N 2 2 259.313 0.445 20 0 CCADLP CC(C)[NH2+]C1CC[NH+](Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000171690077 350927791 /nfs/dbraw/zinc/92/77/91/350927791.db2.gz IIUWFYCQYWYCAN-UHFFFAOYSA-N 2 2 294.399 0.046 20 0 CCADLP CC(C)(C)C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000172697051 351005728 /nfs/dbraw/zinc/00/57/28/351005728.db2.gz URRVDDLUOOTDGG-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP COCCCNC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177058638 351191993 /nfs/dbraw/zinc/19/19/93/351191993.db2.gz DRNHYLWZWCWJFK-STQMWFEESA-N 2 2 271.405 0.554 20 0 CCADLP COCCCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177058638 351191995 /nfs/dbraw/zinc/19/19/95/351191995.db2.gz DRNHYLWZWCWJFK-STQMWFEESA-N 2 2 271.405 0.554 20 0 CCADLP COCCCNC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000177058638 351191998 /nfs/dbraw/zinc/19/19/98/351191998.db2.gz DRNHYLWZWCWJFK-STQMWFEESA-N 2 2 271.405 0.554 20 0 CCADLP COCCCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000177058638 351192000 /nfs/dbraw/zinc/19/20/00/351192000.db2.gz DRNHYLWZWCWJFK-STQMWFEESA-N 2 2 271.405 0.554 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NCCn2cc[nH+]c2)C[N@@H+]1C1CC1 ZINC000176485699 351176268 /nfs/dbraw/zinc/17/62/68/351176268.db2.gz ARAHTZRWDLKSNA-NEPJUHHUSA-N 2 2 277.372 0.808 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NCCn2cc[nH+]c2)C[N@H+]1C1CC1 ZINC000176485699 351176277 /nfs/dbraw/zinc/17/62/77/351176277.db2.gz ARAHTZRWDLKSNA-NEPJUHHUSA-N 2 2 277.372 0.808 20 0 CCADLP O=C(NCc1ccn2cc[nH+]c2c1)[C@]1(F)CC[NH2+]C1 ZINC000178801132 351246641 /nfs/dbraw/zinc/24/66/41/351246641.db2.gz OMSLNNBVIIZAMP-ZDUSSCGKSA-N 2 2 262.288 0.652 20 0 CCADLP COC(=O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182965305 351372724 /nfs/dbraw/zinc/37/27/24/351372724.db2.gz LJHQQUOFHDFZLJ-UHFFFAOYSA-N 2 2 284.400 0.984 20 0 CCADLP CN(CCC[NH+](C)C)C(=O)NCCCn1cc[nH+]c1 ZINC000184205840 351406019 /nfs/dbraw/zinc/40/60/19/351406019.db2.gz WUBQDQIOHNFCSN-UHFFFAOYSA-N 2 2 267.377 0.866 20 0 CCADLP CC(=O)NCCC[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000183804925 351393331 /nfs/dbraw/zinc/39/33/31/351393331.db2.gz AIRPDWSDEXFVCP-UHFFFAOYSA-N 2 2 277.372 0.433 20 0 CCADLP COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1CCCCn1cc[nH+]c1C ZINC000185502603 351448169 /nfs/dbraw/zinc/44/81/69/351448169.db2.gz HSNNEQDZYQCRSE-CHWSQXEVSA-N 2 2 281.356 0.580 20 0 CCADLP COC(=O)[C@H]1C[C@@H](O)C[N@H+]1CCCCn1cc[nH+]c1C ZINC000185502603 351448178 /nfs/dbraw/zinc/44/81/78/351448178.db2.gz HSNNEQDZYQCRSE-CHWSQXEVSA-N 2 2 281.356 0.580 20 0 CCADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000187924200 351564322 /nfs/dbraw/zinc/56/43/22/351564322.db2.gz TYEHURPZHNUJNM-GRYCIOLGSA-N 2 2 266.345 0.012 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000618554649 366045811 /nfs/dbraw/zinc/04/58/11/366045811.db2.gz WUXLIQHCIIKAQL-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000618554649 366045818 /nfs/dbraw/zinc/04/58/18/366045818.db2.gz WUXLIQHCIIKAQL-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1C[NH+](C/C=C/C[N@@H+]2CCO[C@H](C)C2)CCO1 ZINC000194027253 351852049 /nfs/dbraw/zinc/85/20/49/351852049.db2.gz XBHHNCYVHWZQOA-LSMGEYOZSA-N 2 2 254.374 0.984 20 0 CCADLP C[C@@H]1C[NH+](C/C=C/C[N@H+]2CCO[C@H](C)C2)CCO1 ZINC000194027253 351852054 /nfs/dbraw/zinc/85/20/54/351852054.db2.gz XBHHNCYVHWZQOA-LSMGEYOZSA-N 2 2 254.374 0.984 20 0 CCADLP Nc1ccnc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000122551656 187037834 /nfs/dbraw/zinc/03/78/34/187037834.db2.gz MKRIELAFDXEHPM-UHFFFAOYSA-N 2 2 291.399 0.603 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)NCc1cccnc1 ZINC000124288755 187130730 /nfs/dbraw/zinc/13/07/30/187130730.db2.gz SUFPGBIUQDISMH-UHFFFAOYSA-N 2 2 287.367 0.916 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)NCc1cccnc1 ZINC000124288755 187130731 /nfs/dbraw/zinc/13/07/31/187130731.db2.gz SUFPGBIUQDISMH-UHFFFAOYSA-N 2 2 287.367 0.916 20 0 CCADLP Cc1ccc([C@H]([NH3+])C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000228090669 352068683 /nfs/dbraw/zinc/06/86/83/352068683.db2.gz GZQUIFFBXZNXND-HNNXBMFYSA-N 2 2 291.395 0.833 20 0 CCADLP C[C@H]1C[N@H+](C)CCN1C(=O)c1csc(C[NH3+])n1 ZINC000226402686 352025777 /nfs/dbraw/zinc/02/57/77/352025777.db2.gz AGSLZLIRDJCFKW-QMMMGPOBSA-N 2 2 254.359 0.378 20 0 CCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)c1csc(C[NH3+])n1 ZINC000226402686 352025781 /nfs/dbraw/zinc/02/57/81/352025781.db2.gz AGSLZLIRDJCFKW-QMMMGPOBSA-N 2 2 254.359 0.378 20 0 CCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)c1csc(C[NH3+])n1 ZINC000226402683 352026028 /nfs/dbraw/zinc/02/60/28/352026028.db2.gz AGSLZLIRDJCFKW-MRVPVSSYSA-N 2 2 254.359 0.378 20 0 CCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)c1csc(C[NH3+])n1 ZINC000226402683 352026030 /nfs/dbraw/zinc/02/60/30/352026030.db2.gz AGSLZLIRDJCFKW-MRVPVSSYSA-N 2 2 254.359 0.378 20 0 CCADLP COCCCNC(=O)C[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000226435159 352027451 /nfs/dbraw/zinc/02/74/51/352027451.db2.gz XEZIWBRQGVQRPI-GFCCVEGCSA-N 2 2 257.378 0.071 20 0 CCADLP COCCCNC(=O)C[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000226435159 352027456 /nfs/dbraw/zinc/02/74/56/352027456.db2.gz XEZIWBRQGVQRPI-GFCCVEGCSA-N 2 2 257.378 0.071 20 0 CCADLP COc1c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c(C)nn1C ZINC000228679508 352079619 /nfs/dbraw/zinc/07/96/19/352079619.db2.gz JQOGPAOFLHOTBQ-CABZTGNLSA-N 2 2 252.362 0.906 20 0 CCADLP COc1c(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c(C)nn1C ZINC000228679508 352079624 /nfs/dbraw/zinc/07/96/24/352079624.db2.gz JQOGPAOFLHOTBQ-CABZTGNLSA-N 2 2 252.362 0.906 20 0 CCADLP COc1cc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])cc2c1OCO2 ZINC000229334546 352089757 /nfs/dbraw/zinc/08/97/57/352089757.db2.gz XBJCPIYDRWLDAX-LBPRGKRZSA-N 2 2 293.367 0.499 20 0 CCADLP COc1cc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cc2c1OCO2 ZINC000229334546 352089759 /nfs/dbraw/zinc/08/97/59/352089759.db2.gz XBJCPIYDRWLDAX-LBPRGKRZSA-N 2 2 293.367 0.499 20 0 CCADLP COC(=O)c1cccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000234579016 352161862 /nfs/dbraw/zinc/16/18/62/352161862.db2.gz CFGKNRDXLMDRBD-GHMZBOCLSA-N 2 2 261.325 0.519 20 0 CCADLP [NH3+]C[C@@H](NC(=O)CCn1cc[nH+]c1)C1CCCC1 ZINC000236235254 352192192 /nfs/dbraw/zinc/19/21/92/352192192.db2.gz BECCSFIJKVBXLU-GFCCVEGCSA-N 2 2 250.346 0.907 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000232115508 352140218 /nfs/dbraw/zinc/14/02/18/352140218.db2.gz MDXONQCDPMQESP-GFCCVEGCSA-N 2 2 297.424 0.756 20 0 CCADLP O=C(NC[C@@H]1CCC[NH2+]C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655413541 412562481 /nfs/dbraw/zinc/56/24/81/412562481.db2.gz CMIQHGAREKVINN-VXGBXAGGSA-N 2 2 262.357 0.561 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000236697532 352206457 /nfs/dbraw/zinc/20/64/57/352206457.db2.gz HIGGCZLMWKYHGJ-RYUDHWBXSA-N 2 2 257.378 0.197 20 0 CCADLP CCN1CC[NH+](Cc2ccc(NC(=O)C[NH2+]C)cc2)CC1 ZINC000236886098 352223847 /nfs/dbraw/zinc/22/38/47/352223847.db2.gz GQIPEIMJYRRJCO-UHFFFAOYSA-N 2 2 290.411 0.982 20 0 CCADLP COC(=O)CCNC(=O)C[N@@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000603435303 363132260 /nfs/dbraw/zinc/13/22/60/363132260.db2.gz XPLJOKYJFWCYAQ-UTUOFQBUSA-N 2 2 285.388 0.113 20 0 CCADLP COC(=O)CCNC(=O)C[N@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000603435303 363132265 /nfs/dbraw/zinc/13/22/65/363132265.db2.gz XPLJOKYJFWCYAQ-UTUOFQBUSA-N 2 2 285.388 0.113 20 0 CCADLP C[NH2+]CC(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1 ZINC000237237231 352255476 /nfs/dbraw/zinc/25/54/76/352255476.db2.gz UTWOUAGDZPDUCX-HNNXBMFYSA-N 2 2 291.395 0.704 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)Cn1cc[nH+]c1 ZINC000237439174 352264841 /nfs/dbraw/zinc/26/48/41/352264841.db2.gz NMFKVVDQYSDNGK-IJLUTSLNSA-N 2 2 250.346 0.763 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@]1(C)CCCC[NH2+]1)[NH+]1CCOCC1 ZINC000237485755 352268002 /nfs/dbraw/zinc/26/80/02/352268002.db2.gz LGYGIZRLEKVBGH-GZBFAFLISA-N 2 2 283.416 0.744 20 0 CCADLP C[NH2+]CC(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000237202360 352252281 /nfs/dbraw/zinc/25/22/81/352252281.db2.gz MUTAALSMMDAXNP-UHFFFAOYSA-N 2 2 295.358 0.698 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655418291 412564153 /nfs/dbraw/zinc/56/41/53/412564153.db2.gz QGHCMLADHZJATF-WDEREUQCSA-N 2 2 250.346 0.545 20 0 CCADLP C[C@H]1CC[N@H+](CCCS(N)(=O)=O)C[C@H]1n1cc[nH+]c1 ZINC000245704324 352334812 /nfs/dbraw/zinc/33/48/12/352334812.db2.gz YCYNYPLEXOHDJO-NWDGAFQWSA-N 2 2 286.401 0.445 20 0 CCADLP C[C@H]1CC[N@@H+](CCCS(N)(=O)=O)C[C@H]1n1cc[nH+]c1 ZINC000245704324 352334815 /nfs/dbraw/zinc/33/48/15/352334815.db2.gz YCYNYPLEXOHDJO-NWDGAFQWSA-N 2 2 286.401 0.445 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246145938 352349699 /nfs/dbraw/zinc/34/96/99/352349699.db2.gz FASQTWQPPSDOOD-OLZOCXBDSA-N 2 2 296.415 0.638 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246145938 352349702 /nfs/dbraw/zinc/34/97/02/352349702.db2.gz FASQTWQPPSDOOD-OLZOCXBDSA-N 2 2 296.415 0.638 20 0 CCADLP O=C1OCC[C@@H]1CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000246339056 352362296 /nfs/dbraw/zinc/36/22/96/352362296.db2.gz FFLDISAAFSENLL-KBPBESRZSA-N 2 2 282.384 0.594 20 0 CCADLP O=C1OCC[C@@H]1CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000246339056 352362299 /nfs/dbraw/zinc/36/22/99/352362299.db2.gz FFLDISAAFSENLL-KBPBESRZSA-N 2 2 282.384 0.594 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246572897 352373400 /nfs/dbraw/zinc/37/34/00/352373400.db2.gz DYMNNXVIBPRULZ-NWDGAFQWSA-N 2 2 284.404 0.637 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246572897 352373405 /nfs/dbraw/zinc/37/34/05/352373405.db2.gz DYMNNXVIBPRULZ-NWDGAFQWSA-N 2 2 284.404 0.637 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246572897 352373409 /nfs/dbraw/zinc/37/34/09/352373409.db2.gz DYMNNXVIBPRULZ-NWDGAFQWSA-N 2 2 284.404 0.637 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246572897 352373411 /nfs/dbraw/zinc/37/34/11/352373411.db2.gz DYMNNXVIBPRULZ-NWDGAFQWSA-N 2 2 284.404 0.637 20 0 CCADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NCC3CC3)CC[C@H]21 ZINC000247120183 352400370 /nfs/dbraw/zinc/40/03/70/352400370.db2.gz AKRPJPZHDYGMFB-ZIAGYGMSSA-N 2 2 265.401 0.929 20 0 CCADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NCC3CC3)CC[C@H]21 ZINC000247120183 352400371 /nfs/dbraw/zinc/40/03/71/352400371.db2.gz AKRPJPZHDYGMFB-ZIAGYGMSSA-N 2 2 265.401 0.929 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NCC3CC3)CC[C@H]21 ZINC000247120183 352400374 /nfs/dbraw/zinc/40/03/74/352400374.db2.gz AKRPJPZHDYGMFB-ZIAGYGMSSA-N 2 2 265.401 0.929 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NCC3CC3)CC[C@H]21 ZINC000247120183 352400375 /nfs/dbraw/zinc/40/03/75/352400375.db2.gz AKRPJPZHDYGMFB-ZIAGYGMSSA-N 2 2 265.401 0.929 20 0 CCADLP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246914852 352388322 /nfs/dbraw/zinc/38/83/22/352388322.db2.gz PWLFCEHGQOVORM-ZNMIVQPWSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246914852 352388325 /nfs/dbraw/zinc/38/83/25/352388325.db2.gz PWLFCEHGQOVORM-ZNMIVQPWSA-N 2 2 297.443 0.944 20 0 CCADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)NC[C@H]1CCCO1 ZINC000246939329 352390069 /nfs/dbraw/zinc/39/00/69/352390069.db2.gz OGFCXQFZIYHMOM-HUUCEWRRSA-N 2 2 295.427 0.699 20 0 CCADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)NC[C@H]1CCCO1 ZINC000246939329 352390073 /nfs/dbraw/zinc/39/00/73/352390073.db2.gz OGFCXQFZIYHMOM-HUUCEWRRSA-N 2 2 295.427 0.699 20 0 CCADLP C[N@@H+](CC(=O)NC[C@H]1CCCO1)C[C@H]1CCC[NH+](C)C1 ZINC000247155072 352401782 /nfs/dbraw/zinc/40/17/82/352401782.db2.gz XSAWBRACZDYRMC-UONOGXRCSA-N 2 2 283.416 0.555 20 0 CCADLP C[N@H+](CC(=O)NC[C@H]1CCCO1)C[C@H]1CCC[NH+](C)C1 ZINC000247155072 352401785 /nfs/dbraw/zinc/40/17/85/352401785.db2.gz XSAWBRACZDYRMC-UONOGXRCSA-N 2 2 283.416 0.555 20 0 CCADLP C[NH+](CC(=O)NC[C@H]1CCCO1)C[C@H]1CCC[N@H+](C)C1 ZINC000247155072 352401790 /nfs/dbraw/zinc/40/17/90/352401790.db2.gz XSAWBRACZDYRMC-UONOGXRCSA-N 2 2 283.416 0.555 20 0 CCADLP C[NH+](CC(=O)NC[C@H]1CCCO1)C[C@H]1CCC[N@@H+](C)C1 ZINC000247155072 352401793 /nfs/dbraw/zinc/40/17/93/352401793.db2.gz XSAWBRACZDYRMC-UONOGXRCSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@H]1CN(C(=O)c2coc(C[NH3+])c2)CC[N@@H+]1C[C@H](C)O ZINC000249058356 352475599 /nfs/dbraw/zinc/47/55/99/352475599.db2.gz FVXWNYIOKMSCEU-AAEUAGOBSA-N 2 2 295.383 0.656 20 0 CCADLP CC[C@H]1CN(C(=O)c2coc(C[NH3+])c2)CC[N@H+]1C[C@H](C)O ZINC000249058356 352475602 /nfs/dbraw/zinc/47/56/02/352475602.db2.gz FVXWNYIOKMSCEU-AAEUAGOBSA-N 2 2 295.383 0.656 20 0 CCADLP O=C(NCCn1cc[nH+]c1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000250251115 352503565 /nfs/dbraw/zinc/50/35/65/352503565.db2.gz PGXUOUSRHWYFCB-XQQFMLRXSA-N 2 2 262.357 0.920 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](C)C2)C1 ZINC000252218406 352513473 /nfs/dbraw/zinc/51/34/73/352513473.db2.gz YIRAJESFZPLKNM-STQMWFEESA-N 2 2 253.390 0.786 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H](C)C2)C1 ZINC000252218406 352513478 /nfs/dbraw/zinc/51/34/78/352513478.db2.gz YIRAJESFZPLKNM-STQMWFEESA-N 2 2 253.390 0.786 20 0 CCADLP CC[C@@H]1CCCCN1C(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453868 352515065 /nfs/dbraw/zinc/51/50/65/352515065.db2.gz XNDWDCYMROXTAC-MELADBBJSA-N 2 2 265.401 0.929 20 0 CCADLP CCN(C1CC[NH+](CC(C)(C)[NH3+])CC1)S(C)(=O)=O ZINC000261959841 352567143 /nfs/dbraw/zinc/56/71/43/352567143.db2.gz PEJGRBDMBIACAO-UHFFFAOYSA-N 2 2 277.434 0.470 20 0 CCADLP C[C@@H]1C[C@H]([NH+](C)CCC(=O)N2CC[NH2+]CC2)CC[N@@H+]1C ZINC000262074648 352575807 /nfs/dbraw/zinc/57/58/07/352575807.db2.gz KFAGSEAOMBCKTG-ZIAGYGMSSA-N 3 2 282.432 0.223 20 0 CCADLP C[C@@H]1C[C@H]([NH+](C)CCC(=O)N2CC[NH2+]CC2)CC[N@H+]1C ZINC000262074648 352575812 /nfs/dbraw/zinc/57/58/12/352575812.db2.gz KFAGSEAOMBCKTG-ZIAGYGMSSA-N 3 2 282.432 0.223 20 0 CCADLP CCC[C@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000262102364 352578442 /nfs/dbraw/zinc/57/84/42/352578442.db2.gz CPPWMHLWPJRMCU-ZDUSSCGKSA-N 2 2 292.383 0.662 20 0 CCADLP Cc1nc(N2CCN(C(=O)NC[C@@H](C)C[NH3+])CC2)cc[nH+]1 ZINC000418471501 234130086 /nfs/dbraw/zinc/13/00/86/234130086.db2.gz MLQFQEJDENTHDQ-NSHDSACASA-N 2 2 292.387 0.211 20 0 CCADLP C[C@@H](C(=O)N(C)C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000269678864 352862698 /nfs/dbraw/zinc/86/26/98/352862698.db2.gz CYJBSWNSWWHPIA-NSHDSACASA-N 2 2 265.361 0.019 20 0 CCADLP C[C@@H](NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)[C@H](C)[NH3+] ZINC000418724917 234216809 /nfs/dbraw/zinc/21/68/09/234216809.db2.gz NOECZNJICJVZLD-LOWVWBTDSA-N 2 2 278.356 0.980 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000270364763 352925252 /nfs/dbraw/zinc/92/52/52/352925252.db2.gz CDRPNKIGKZIHJE-ZDUSSCGKSA-N 2 2 280.372 0.188 20 0 CCADLP C[N@@H+](CC(=O)NCc1cccnc1)C[C@H]1CCC[NH+](C)C1 ZINC000152337072 188010444 /nfs/dbraw/zinc/01/04/44/188010444.db2.gz VIRDTJVRLWJXGN-HNNXBMFYSA-N 2 2 290.411 0.971 20 0 CCADLP C[N@H+](CC(=O)NCc1cccnc1)C[C@H]1CCC[NH+](C)C1 ZINC000152337072 188010445 /nfs/dbraw/zinc/01/04/45/188010445.db2.gz VIRDTJVRLWJXGN-HNNXBMFYSA-N 2 2 290.411 0.971 20 0 CCADLP C[NH+](CC(=O)NCc1cccnc1)C[C@H]1CCC[N@H+](C)C1 ZINC000152337072 188010447 /nfs/dbraw/zinc/01/04/47/188010447.db2.gz VIRDTJVRLWJXGN-HNNXBMFYSA-N 2 2 290.411 0.971 20 0 CCADLP C[NH+](CC(=O)NCc1cccnc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152337072 188010449 /nfs/dbraw/zinc/01/04/49/188010449.db2.gz VIRDTJVRLWJXGN-HNNXBMFYSA-N 2 2 290.411 0.971 20 0 CCADLP Cc1cc(N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)nc(C)[nH+]1 ZINC000419006770 234285444 /nfs/dbraw/zinc/28/54/44/234285444.db2.gz QQTZKEIZABALBB-RYUDHWBXSA-N 2 2 264.373 0.985 20 0 CCADLP Cc1cc(N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)nc(C)[nH+]1 ZINC000419006770 234285446 /nfs/dbraw/zinc/28/54/46/234285446.db2.gz QQTZKEIZABALBB-RYUDHWBXSA-N 2 2 264.373 0.985 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc(O)cc(F)c1 ZINC000274463981 353131977 /nfs/dbraw/zinc/13/19/77/353131977.db2.gz UFNCQHDADIUWFX-CQSZACIVSA-N 2 2 295.358 0.961 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cc(O)cc(F)c1 ZINC000274463981 353131980 /nfs/dbraw/zinc/13/19/80/353131980.db2.gz UFNCQHDADIUWFX-CQSZACIVSA-N 2 2 295.358 0.961 20 0 CCADLP [NH3+]C[C@@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)CCO1 ZINC000274744410 353158139 /nfs/dbraw/zinc/15/81/39/353158139.db2.gz FQIIXZVPBIIPLD-LLVKDONJSA-N 2 2 260.297 0.134 20 0 CCADLP C[NH+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000277249375 353232932 /nfs/dbraw/zinc/23/29/32/353232932.db2.gz KEFVNVHFAPQCRN-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655447128 412575445 /nfs/dbraw/zinc/57/54/45/412575445.db2.gz RCGXSLSXDPMNJG-VNHYZAJKSA-N 2 2 281.400 0.213 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655447128 412575441 /nfs/dbraw/zinc/57/54/41/412575441.db2.gz RCGXSLSXDPMNJG-VNHYZAJKSA-N 2 2 281.400 0.213 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)NCc1cn2ccccc2[nH+]1 ZINC000278238335 353290098 /nfs/dbraw/zinc/29/00/98/353290098.db2.gz LDSRUIKIRXIFCT-NSHDSACASA-N 2 2 262.313 0.314 20 0 CCADLP CC[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)C(=O)OC ZINC000279702496 353309989 /nfs/dbraw/zinc/30/99/89/353309989.db2.gz HCHDFICUWKZQEV-GHMZBOCLSA-N 2 2 251.330 0.987 20 0 CCADLP C[N@@H+]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000278434406 353299282 /nfs/dbraw/zinc/29/92/82/353299282.db2.gz RXTXMQWKVFQEHH-UHFFFAOYSA-N 2 2 277.372 0.455 20 0 CCADLP C[N@H+]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000278434406 353299287 /nfs/dbraw/zinc/29/92/87/353299287.db2.gz RXTXMQWKVFQEHH-UHFFFAOYSA-N 2 2 277.372 0.455 20 0 CCADLP CC[C@]1(C(=O)NC[C@@H](C)[NH+]2CCOCC2)CCC[NH2+]1 ZINC000134568222 137661973 /nfs/dbraw/zinc/66/19/73/137661973.db2.gz VNWSZRZUBMNCKB-TZMCWYRMSA-N 2 2 269.389 0.356 20 0 CCADLP CCOC(=O)c1c[nH+]ccc1N1CC[NH+](C[C@@H](C)O)CC1 ZINC000281387732 353390585 /nfs/dbraw/zinc/39/05/85/353390585.db2.gz GDEWOVTXZUJPNE-GFCCVEGCSA-N 2 2 293.367 0.761 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C=Cc2c[nH]c[nH+]2)C[C@H](C)O1 ZINC000282644940 353441540 /nfs/dbraw/zinc/44/15/40/353441540.db2.gz AEOKXIAQIMKHBJ-GHEOONOUSA-N 2 2 292.383 0.991 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C=Cc2c[nH]c[nH+]2)C[C@H](C)O1 ZINC000282644940 353441542 /nfs/dbraw/zinc/44/15/42/353441542.db2.gz AEOKXIAQIMKHBJ-GHEOONOUSA-N 2 2 292.383 0.991 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000655457571 412578701 /nfs/dbraw/zinc/57/87/01/412578701.db2.gz ULVUXBOQOQMEBR-IJLUTSLNSA-N 2 2 262.357 0.832 20 0 CCADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655458073 412580595 /nfs/dbraw/zinc/58/05/95/412580595.db2.gz KOKLNXZCJVZXPO-TUAOUCFPSA-N 2 2 262.357 0.654 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000286183289 353567312 /nfs/dbraw/zinc/56/73/12/353567312.db2.gz AKXFTVAYXZGNML-AAEUAGOBSA-N 2 2 262.357 0.813 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000286183289 353567314 /nfs/dbraw/zinc/56/73/14/353567314.db2.gz AKXFTVAYXZGNML-AAEUAGOBSA-N 2 2 262.357 0.813 20 0 CCADLP CCc1nc(NC[C@H]2C[NH+]3CCN2CC3)cc(C)[nH+]1 ZINC000286200099 353568832 /nfs/dbraw/zinc/56/88/32/353568832.db2.gz MCDZBZFSDWWQBY-LBPRGKRZSA-N 2 2 261.373 0.759 20 0 CCADLP CO[C@H](C[NH3+])C(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000289868161 353690418 /nfs/dbraw/zinc/69/04/18/353690418.db2.gz DCVWHMGGMCCFOL-LLVKDONJSA-N 2 2 262.313 0.233 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000290062829 353704798 /nfs/dbraw/zinc/70/47/98/353704798.db2.gz PKZGDAQMMKUAES-UHFFFAOYSA-N 2 2 260.345 0.508 20 0 CCADLP CNC(=O)[C@@H]1CCCC[N@@H+]1CCc1c[nH+]cn1C ZINC000290164236 353712787 /nfs/dbraw/zinc/71/27/87/353712787.db2.gz XVLOVXBFZPUMBW-LBPRGKRZSA-N 2 2 250.346 0.563 20 0 CCADLP CNC(=O)[C@@H]1CCCC[N@H+]1CCc1c[nH+]cn1C ZINC000290164236 353712789 /nfs/dbraw/zinc/71/27/89/353712789.db2.gz XVLOVXBFZPUMBW-LBPRGKRZSA-N 2 2 250.346 0.563 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000290241998 353716249 /nfs/dbraw/zinc/71/62/49/353716249.db2.gz VMWUVTCVGNLARZ-NSHDSACASA-N 2 2 262.313 0.233 20 0 CCADLP CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655465977 412583836 /nfs/dbraw/zinc/58/38/36/412583836.db2.gz WNNAVWXWRMPTDH-VXGBXAGGSA-N 2 2 276.384 0.950 20 0 CCADLP Cc1ccccc1[C@@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000296291381 353940086 /nfs/dbraw/zinc/94/00/86/353940086.db2.gz FRKNCERZLDJGDI-UKRRQHHQSA-N 2 2 291.395 0.832 20 0 CCADLP O=C(CC[NH2+]C1CC1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000655470308 412584826 /nfs/dbraw/zinc/58/48/26/412584826.db2.gz ULTORGPBKVUOHC-ZDUSSCGKSA-N 2 2 274.368 0.919 20 0 CCADLP CC(C)[C@H](CNC(=O)CCn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000299679651 354039334 /nfs/dbraw/zinc/03/93/34/354039334.db2.gz SKTGIQDHDBJUEP-AWEZNQCLSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@H](NC(=O)NCCn1cc[nH+]c1)C1CC[NH+](C)CC1 ZINC000606611615 363296691 /nfs/dbraw/zinc/29/66/91/363296691.db2.gz UKVMIWOJCBAPPA-LBPRGKRZSA-N 2 2 279.388 0.913 20 0 CCADLP COC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000305108419 354130267 /nfs/dbraw/zinc/13/02/67/354130267.db2.gz DVBVCOLREDILQU-FVQBIDKESA-N 2 2 293.411 0.889 20 0 CCADLP COC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000305108419 354130269 /nfs/dbraw/zinc/13/02/69/354130269.db2.gz DVBVCOLREDILQU-FVQBIDKESA-N 2 2 293.411 0.889 20 0 CCADLP CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@@H](C[NH3+])C1CC1 ZINC000655476586 412586714 /nfs/dbraw/zinc/58/67/14/412586714.db2.gz VBWYPKKCFKUFID-NEPJUHHUSA-N 2 2 262.357 0.641 20 0 CCADLP CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@@H](C[NH3+])C1CC1 ZINC000655476588 412586905 /nfs/dbraw/zinc/58/69/05/412586905.db2.gz VBWYPKKCFKUFID-RYUDHWBXSA-N 2 2 262.357 0.641 20 0 CCADLP CC(C)c1[nH+]ccn1C[C@@H](O)C[NH+]1CCOCC1 ZINC000305328832 354144542 /nfs/dbraw/zinc/14/45/42/354144542.db2.gz PPRPERCRNGEOGB-LBPRGKRZSA-N 2 2 253.346 0.700 20 0 CCADLP C[C@H](CO)N(C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000305738615 354156875 /nfs/dbraw/zinc/15/68/75/354156875.db2.gz WPOYRKSADPMHFS-GFCCVEGCSA-N 2 2 286.420 0.035 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(CCCn2cc[nH+]c2)CC1 ZINC000305781349 354162155 /nfs/dbraw/zinc/16/21/55/354162155.db2.gz UMQRGQIFYXNHLH-AWEZNQCLSA-N 2 2 266.389 0.662 20 0 CCADLP COC[C@@](C)([NH3+])CNc1cc(-n2cc[nH+]c2)ncn1 ZINC000607145830 363341750 /nfs/dbraw/zinc/34/17/50/363341750.db2.gz SMJCXNYKJVKOCX-LBPRGKRZSA-N 2 2 262.317 0.438 20 0 CCADLP [NH3+]CCC[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000310507990 354189984 /nfs/dbraw/zinc/18/99/84/354189984.db2.gz PFQBLBNAVOLBQG-UHFFFAOYSA-N 2 2 257.275 0.853 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000310795686 354191804 /nfs/dbraw/zinc/19/18/04/354191804.db2.gz VYSDUHPCPXQGQE-MNOVXSKESA-N 2 2 250.346 0.944 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@](C)(O)C(F)(F)F ZINC000310988038 354195553 /nfs/dbraw/zinc/19/55/53/354195553.db2.gz KVCRNYCDOGYQKU-UWVGGRQHSA-N 2 2 269.311 0.135 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@](C)(O)C(F)(F)F ZINC000310988038 354195554 /nfs/dbraw/zinc/19/55/54/354195554.db2.gz KVCRNYCDOGYQKU-UWVGGRQHSA-N 2 2 269.311 0.135 20 0 CCADLP CC[C@H]1C[N@H+](C[C@@H](O)C[NH+](C)CCOC)CCS1 ZINC000311102155 354196912 /nfs/dbraw/zinc/19/69/12/354196912.db2.gz CKXJBDYLNZGMEY-STQMWFEESA-N 2 2 276.446 0.753 20 0 CCADLP CC[C@H]1C[N@@H+](C[C@@H](O)C[NH+](C)CCOC)CCS1 ZINC000311102155 354196915 /nfs/dbraw/zinc/19/69/15/354196915.db2.gz CKXJBDYLNZGMEY-STQMWFEESA-N 2 2 276.446 0.753 20 0 CCADLP CC[C@H]1C[NH+](C[C@@H](O)C[N@H+](C)CCOC)CCS1 ZINC000311102155 354196918 /nfs/dbraw/zinc/19/69/18/354196918.db2.gz CKXJBDYLNZGMEY-STQMWFEESA-N 2 2 276.446 0.753 20 0 CCADLP CC[C@H]1C[NH+](C[C@@H](O)C[N@@H+](C)CCOC)CCS1 ZINC000311102155 354196920 /nfs/dbraw/zinc/19/69/20/354196920.db2.gz CKXJBDYLNZGMEY-STQMWFEESA-N 2 2 276.446 0.753 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000311491486 354200921 /nfs/dbraw/zinc/20/09/21/354200921.db2.gz UQUHJQHEOVPPQD-WCQYABFASA-N 2 2 270.377 0.010 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000311491486 354200924 /nfs/dbraw/zinc/20/09/24/354200924.db2.gz UQUHJQHEOVPPQD-WCQYABFASA-N 2 2 270.377 0.010 20 0 CCADLP C[C@@H]1CCCCN1C(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313338459 354212662 /nfs/dbraw/zinc/21/26/62/354212662.db2.gz JWZJCTADLUTPIN-OLZOCXBDSA-N 2 2 269.389 0.437 20 0 CCADLP C[C@@H]1CCCCN1C(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313338459 354212665 /nfs/dbraw/zinc/21/26/65/354212665.db2.gz JWZJCTADLUTPIN-OLZOCXBDSA-N 2 2 269.389 0.437 20 0 CCADLP C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313348964 354214055 /nfs/dbraw/zinc/21/40/55/354214055.db2.gz ULBVWNQOTLHZTM-AAEUAGOBSA-N 2 2 269.389 0.483 20 0 CCADLP C[C@@H](C(=O)NC1CCCC1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313348964 354214057 /nfs/dbraw/zinc/21/40/57/354214057.db2.gz ULBVWNQOTLHZTM-AAEUAGOBSA-N 2 2 269.389 0.483 20 0 CCADLP COCC[N@H+](C)CCNc1cc(-n2cc[nH+]c2)ncn1 ZINC000607144638 363339981 /nfs/dbraw/zinc/33/99/81/363339981.db2.gz HAAYLTWGGBRTDF-UHFFFAOYSA-N 2 2 276.344 0.652 20 0 CCADLP COCC[N@@H+](C)CCNc1cc(-n2cc[nH+]c2)ncn1 ZINC000607144638 363339983 /nfs/dbraw/zinc/33/99/83/363339983.db2.gz HAAYLTWGGBRTDF-UHFFFAOYSA-N 2 2 276.344 0.652 20 0 CCADLP O=C1NCCCN1C1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000328668881 354247846 /nfs/dbraw/zinc/24/78/46/354247846.db2.gz LREKFDBLLZFLSV-UHFFFAOYSA-N 2 2 277.372 0.967 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCOC(C)(C)C)[C@@H](C[NH3+])C1 ZINC000557137665 291023114 /nfs/dbraw/zinc/02/31/14/291023114.db2.gz LSHGVYNIBGPTNT-NSHDSACASA-N 2 2 272.393 0.086 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCOC(C)(C)C)[C@@H](C[NH3+])C1 ZINC000557137665 291023116 /nfs/dbraw/zinc/02/31/16/291023116.db2.gz LSHGVYNIBGPTNT-NSHDSACASA-N 2 2 272.393 0.086 20 0 CCADLP C[NH+](C)CCn1ccc(=NC(=O)[C@H]2CCC[N@@H+]2C2CC2)[nH]1 ZINC000330271120 354314524 /nfs/dbraw/zinc/31/45/24/354314524.db2.gz VKTDFTAZRMWNRP-CYBMUJFWSA-N 2 2 291.399 0.432 20 0 CCADLP C[NH+](C)CCn1ccc(=NC(=O)[C@H]2CCC[N@H+]2C2CC2)[nH]1 ZINC000330271120 354314525 /nfs/dbraw/zinc/31/45/25/354314525.db2.gz VKTDFTAZRMWNRP-CYBMUJFWSA-N 2 2 291.399 0.432 20 0 CCADLP CNC(=O)CC1CC[NH+](Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000331108637 354451859 /nfs/dbraw/zinc/45/18/59/354451859.db2.gz HGTZMUUOHOSZPK-UHFFFAOYSA-N 2 2 293.415 0.834 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CCn1cc[nH+]c1 ZINC000332548250 354694718 /nfs/dbraw/zinc/69/47/18/354694718.db2.gz HSOUCCWMYGHXME-GFCCVEGCSA-N 2 2 266.345 0.110 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)CCn1cc[nH+]c1 ZINC000332548250 354694721 /nfs/dbraw/zinc/69/47/21/354694721.db2.gz HSOUCCWMYGHXME-GFCCVEGCSA-N 2 2 266.345 0.110 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CC(C)C2)CC1 ZINC000557634969 291039926 /nfs/dbraw/zinc/03/99/26/291039926.db2.gz BUEOFFXFDAIKQG-OAHLLOKOSA-N 2 2 297.443 0.896 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000333651694 354770819 /nfs/dbraw/zinc/77/08/19/354770819.db2.gz VWTMONIGPDPHGE-KBPBESRZSA-N 2 2 298.431 0.524 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000333651694 354770823 /nfs/dbraw/zinc/77/08/23/354770823.db2.gz VWTMONIGPDPHGE-KBPBESRZSA-N 2 2 298.431 0.524 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000334743633 354934898 /nfs/dbraw/zinc/93/48/98/354934898.db2.gz NCIZNWKLKPJBEQ-CYBMUJFWSA-N 2 2 264.373 0.990 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000334743633 354934900 /nfs/dbraw/zinc/93/49/00/354934900.db2.gz NCIZNWKLKPJBEQ-CYBMUJFWSA-N 2 2 264.373 0.990 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)C3(C)C[NH2+]C3)cn21 ZINC000335041396 354946056 /nfs/dbraw/zinc/94/60/56/354946056.db2.gz BRIYHEKXXXYBCX-UHFFFAOYSA-N 2 2 258.325 0.868 20 0 CCADLP [NH3+][C@H](C(=O)N[C@@H]1CCC[NH2+]C1)c1c(F)cccc1F ZINC000335134537 354970779 /nfs/dbraw/zinc/97/07/79/354970779.db2.gz NMNLORAROGWOBF-PELKAZGASA-N 2 2 269.295 0.833 20 0 CCADLP C[N@@H+]1CCCC12CC[NH+](CC(=O)NC1CC1)CC2 ZINC000335897037 355040309 /nfs/dbraw/zinc/04/03/09/355040309.db2.gz JPPOIRBFSMGUKQ-UHFFFAOYSA-N 2 2 251.374 0.825 20 0 CCADLP C[N@H+]1CCCC12CC[NH+](CC(=O)NC1CC1)CC2 ZINC000335897037 355040312 /nfs/dbraw/zinc/04/03/12/355040312.db2.gz JPPOIRBFSMGUKQ-UHFFFAOYSA-N 2 2 251.374 0.825 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCN(C)C(=O)C1(C)C ZINC000336469599 355116541 /nfs/dbraw/zinc/11/65/41/355116541.db2.gz NPNZZSXFTXHMAN-UHFFFAOYSA-N 2 2 250.346 0.744 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCN(C)C(=O)C1(C)C ZINC000336469599 355116545 /nfs/dbraw/zinc/11/65/45/355116545.db2.gz NPNZZSXFTXHMAN-UHFFFAOYSA-N 2 2 250.346 0.744 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000336794932 355167897 /nfs/dbraw/zinc/16/78/97/355167897.db2.gz GSYCLIOEOYHFQI-QWHCGFSZSA-N 2 2 274.430 0.980 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000336794932 355167902 /nfs/dbraw/zinc/16/79/02/355167902.db2.gz GSYCLIOEOYHFQI-QWHCGFSZSA-N 2 2 274.430 0.980 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000336794932 355167907 /nfs/dbraw/zinc/16/79/07/355167907.db2.gz GSYCLIOEOYHFQI-QWHCGFSZSA-N 2 2 274.430 0.980 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000336794932 355167912 /nfs/dbraw/zinc/16/79/12/355167912.db2.gz GSYCLIOEOYHFQI-QWHCGFSZSA-N 2 2 274.430 0.980 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C3CC3)C2)CC1 ZINC000336626844 355127110 /nfs/dbraw/zinc/12/71/10/355127110.db2.gz XTNLFRMHRJDANE-CYBMUJFWSA-N 2 2 251.374 0.492 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C3CC3)C2)CC1 ZINC000336626844 355127111 /nfs/dbraw/zinc/12/71/11/355127111.db2.gz XTNLFRMHRJDANE-CYBMUJFWSA-N 2 2 251.374 0.492 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000336794931 355168412 /nfs/dbraw/zinc/16/84/12/355168412.db2.gz GSYCLIOEOYHFQI-OLZOCXBDSA-N 2 2 274.430 0.980 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000336794931 355168414 /nfs/dbraw/zinc/16/84/14/355168414.db2.gz GSYCLIOEOYHFQI-OLZOCXBDSA-N 2 2 274.430 0.980 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000336794931 355168416 /nfs/dbraw/zinc/16/84/16/355168416.db2.gz GSYCLIOEOYHFQI-OLZOCXBDSA-N 2 2 274.430 0.980 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000336794931 355168418 /nfs/dbraw/zinc/16/84/18/355168418.db2.gz GSYCLIOEOYHFQI-OLZOCXBDSA-N 2 2 274.430 0.980 20 0 CCADLP NS(=O)(=O)CCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000336729759 355152948 /nfs/dbraw/zinc/15/29/48/355152948.db2.gz PDTXQDGKRNBYCT-UHFFFAOYSA-N 2 2 272.374 0.268 20 0 CCADLP C[N@H+](CCC[NH+]1CCCC1)CCN1CCCS1(=O)=O ZINC000336799083 355171621 /nfs/dbraw/zinc/17/16/21/355171621.db2.gz HJMQNVSEDXQGSC-UHFFFAOYSA-N 2 2 289.445 0.440 20 0 CCADLP C[N@@H+](CCC[NH+]1CCCC1)CCN1CCCS1(=O)=O ZINC000336799083 355171624 /nfs/dbraw/zinc/17/16/24/355171624.db2.gz HJMQNVSEDXQGSC-UHFFFAOYSA-N 2 2 289.445 0.440 20 0 CCADLP O=C(C[C@H]1CCC[NH2+]1)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424178643 235171033 /nfs/dbraw/zinc/17/10/33/235171033.db2.gz RQWFFXWXDKYAKI-NXEZZACHSA-N 2 2 261.316 0.490 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000336805015 355181565 /nfs/dbraw/zinc/18/15/65/355181565.db2.gz QIXIHDKQBPINQU-ZDUSSCGKSA-N 2 2 262.357 0.888 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000336805015 355181567 /nfs/dbraw/zinc/18/15/67/355181567.db2.gz QIXIHDKQBPINQU-ZDUSSCGKSA-N 2 2 262.357 0.888 20 0 CCADLP O=C(CC[C@@H]1CC[NH2+]C1)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424189317 235174294 /nfs/dbraw/zinc/17/42/94/235174294.db2.gz KLQFCUMJWXTRJZ-GHMZBOCLSA-N 2 2 275.343 0.737 20 0 CCADLP C[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000336814237 355188023 /nfs/dbraw/zinc/18/80/23/355188023.db2.gz FDCVHHLUQZGUBF-QWHCGFSZSA-N 2 2 289.445 0.436 20 0 CCADLP C[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000336814237 355188025 /nfs/dbraw/zinc/18/80/25/355188025.db2.gz FDCVHHLUQZGUBF-QWHCGFSZSA-N 2 2 289.445 0.436 20 0 CCADLP C[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000336814237 355188028 /nfs/dbraw/zinc/18/80/28/355188028.db2.gz FDCVHHLUQZGUBF-QWHCGFSZSA-N 2 2 289.445 0.436 20 0 CCADLP C[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000336814237 355188030 /nfs/dbraw/zinc/18/80/30/355188030.db2.gz FDCVHHLUQZGUBF-QWHCGFSZSA-N 2 2 289.445 0.436 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC[NH+](C[C@@H]3COCCO3)CC2)CCO1 ZINC000336823200 355197530 /nfs/dbraw/zinc/19/75/30/355197530.db2.gz OOHCFLNUMPJUAG-UKRRQHHQSA-N 2 2 284.400 0.587 20 0 CCADLP C[C@@H]1C[N@H+](C2CC[NH+](C[C@@H]3COCCO3)CC2)CCO1 ZINC000336823200 355197532 /nfs/dbraw/zinc/19/75/32/355197532.db2.gz OOHCFLNUMPJUAG-UKRRQHHQSA-N 2 2 284.400 0.587 20 0 CCADLP Cn1nccc1CC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000336828144 355202651 /nfs/dbraw/zinc/20/26/51/355202651.db2.gz UQTCLOVWCBXLCF-UHFFFAOYSA-N 2 2 280.416 0.741 20 0 CCADLP Cn1nccc1CC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000336828144 355202654 /nfs/dbraw/zinc/20/26/54/355202654.db2.gz UQTCLOVWCBXLCF-UHFFFAOYSA-N 2 2 280.416 0.741 20 0 CCADLP C[C@H](O)C[N@H+](C)C1CC[NH+](CCN2CCOC[C@@H]2C)CC1 ZINC000337147549 355273723 /nfs/dbraw/zinc/27/37/23/355273723.db2.gz ZHEJOXSIQMPKOE-GJZGRUSLSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@H](O)C[N@@H+](C)C1CC[NH+](CCN2CCOC[C@@H]2C)CC1 ZINC000337147549 355273727 /nfs/dbraw/zinc/27/37/27/355273727.db2.gz ZHEJOXSIQMPKOE-GJZGRUSLSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424460222 235208197 /nfs/dbraw/zinc/20/81/97/235208197.db2.gz AROJOCKYMIMIQR-MXWKQRLJSA-N 2 2 290.358 0.610 20 0 CCADLP CS[C@@H]1CN(CC[N@@H+]2CCOC[C@H]2C)C[C@@H]1[NH+](C)C ZINC000337187169 355281146 /nfs/dbraw/zinc/28/11/46/355281146.db2.gz PUEDYSIJQWNOAH-HZSPNIEDSA-N 2 2 287.473 0.685 20 0 CCADLP CS[C@@H]1CN(CC[N@H+]2CCOC[C@H]2C)C[C@@H]1[NH+](C)C ZINC000337187169 355281149 /nfs/dbraw/zinc/28/11/49/355281149.db2.gz PUEDYSIJQWNOAH-HZSPNIEDSA-N 2 2 287.473 0.685 20 0 CCADLP C[C@H](CNC(=O)[C@@H](c1c[nH+]cn1C)N(C)C)C[NH+](C)C ZINC000341255176 355640791 /nfs/dbraw/zinc/64/07/91/355640791.db2.gz HFCNUPNGGQQVKF-DGCLKSJQSA-N 2 2 281.404 0.337 20 0 CCADLP CCNc1nc(N2CC[NH+](C)CC2)nc(NC(C)(C)C)[nH+]1 ZINC000341254545 355640833 /nfs/dbraw/zinc/64/08/33/355640833.db2.gz FWOKXVYTWUBEPR-UHFFFAOYSA-N 2 2 293.419 0.688 20 0 CCADLP Cc1nn(C(C)C)cc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000341377223 355661897 /nfs/dbraw/zinc/66/18/97/355661897.db2.gz ROPBQSXLTWXYNN-CQSZACIVSA-N 2 2 266.389 0.929 20 0 CCADLP Cc1nn(C(C)C)cc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000341377223 355661901 /nfs/dbraw/zinc/66/19/01/355661901.db2.gz ROPBQSXLTWXYNN-CQSZACIVSA-N 2 2 266.389 0.929 20 0 CCADLP C[C@@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CCOCC1 ZINC000342777155 355744968 /nfs/dbraw/zinc/74/49/68/355744968.db2.gz BZUPCAHFWYILCK-RDGKXADDSA-N 2 2 295.427 0.791 20 0 CCADLP C[C@@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCOCC1 ZINC000342777155 355744969 /nfs/dbraw/zinc/74/49/69/355744969.db2.gz BZUPCAHFWYILCK-RDGKXADDSA-N 2 2 295.427 0.791 20 0 CCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000343401838 355769897 /nfs/dbraw/zinc/76/98/97/355769897.db2.gz MEAOWNPRLYWSAV-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000343401838 355769900 /nfs/dbraw/zinc/76/99/00/355769900.db2.gz MEAOWNPRLYWSAV-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343971046 355780932 /nfs/dbraw/zinc/78/09/32/355780932.db2.gz FBYDFFGSJOSHRJ-RBSFLKMASA-N 2 2 297.443 0.896 20 0 CCADLP CC[C@H](C(=O)OC)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343971046 355780934 /nfs/dbraw/zinc/78/09/34/355780934.db2.gz FBYDFFGSJOSHRJ-RBSFLKMASA-N 2 2 297.443 0.896 20 0 CCADLP CC[N@H+](CCNC(=O)NCc1[nH+]ccn1C)C(C)C ZINC000348215417 355890195 /nfs/dbraw/zinc/89/01/95/355890195.db2.gz KOYPNDOWABKTLF-UHFFFAOYSA-N 2 2 267.377 0.950 20 0 CCADLP CC[N@@H+](CCNC(=O)NCc1[nH+]ccn1C)C(C)C ZINC000348215417 355890196 /nfs/dbraw/zinc/89/01/96/355890196.db2.gz KOYPNDOWABKTLF-UHFFFAOYSA-N 2 2 267.377 0.950 20 0 CCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCC(C)(C)C(=O)OC)C1 ZINC000352926057 356113590 /nfs/dbraw/zinc/11/35/90/356113590.db2.gz SAYUEQCBRINPAX-GFCCVEGCSA-N 2 2 272.389 0.886 20 0 CCADLP COCC[N@H+]1CC[C@@H]([NH2+]CCC(C)(C)C(=O)OC)C1 ZINC000352926057 356113592 /nfs/dbraw/zinc/11/35/92/356113592.db2.gz SAYUEQCBRINPAX-GFCCVEGCSA-N 2 2 272.389 0.886 20 0 CCADLP COC[C@H](O)CC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352742054 356068751 /nfs/dbraw/zinc/06/87/51/356068751.db2.gz LGNRNSQYCSXTDN-SNVBAGLBSA-N 2 2 273.402 0.692 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000352818445 356090112 /nfs/dbraw/zinc/09/01/12/356090112.db2.gz LRQHWPXJPHQXSK-AGIUHOORSA-N 2 2 286.420 0.345 20 0 CCADLP CCC[C@@]1([NH2+]CC(=O)N2CC[NH+](C)CC2)CCOC1 ZINC000352835695 356092813 /nfs/dbraw/zinc/09/28/13/356092813.db2.gz ZNFVYJHAPSBMFS-CQSZACIVSA-N 2 2 269.389 0.309 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@@H](C)OC)CC1 ZINC000353209475 356179758 /nfs/dbraw/zinc/17/97/58/356179758.db2.gz YTUSEKOSUXUEBO-CHWSQXEVSA-N 2 2 271.405 0.506 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)OC)CC1 ZINC000353209475 356179760 /nfs/dbraw/zinc/17/97/60/356179760.db2.gz YTUSEKOSUXUEBO-CHWSQXEVSA-N 2 2 271.405 0.506 20 0 CCADLP COc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C)cc1O ZINC000353390487 356214500 /nfs/dbraw/zinc/21/45/00/356214500.db2.gz UWFJMCIWJXASJS-PWSUYJOCSA-N 2 2 268.357 0.974 20 0 CCADLP Cc1c(C[N@H+](C)C2CC[NH+](CCO)CC2)cnn1C ZINC000353352569 356207418 /nfs/dbraw/zinc/20/74/18/356207418.db2.gz LUGGMVJPNGTKHS-UHFFFAOYSA-N 2 2 266.389 0.617 20 0 CCADLP Cc1c(C[N@@H+](C)C2CC[NH+](CCO)CC2)cnn1C ZINC000353352569 356207421 /nfs/dbraw/zinc/20/74/21/356207421.db2.gz LUGGMVJPNGTKHS-UHFFFAOYSA-N 2 2 266.389 0.617 20 0 CCADLP C[N@@H+]1CCC[C@H](C[NH2+][C@H](CS(C)(=O)=O)C2CC2)C1 ZINC000559765843 291087797 /nfs/dbraw/zinc/08/77/97/291087797.db2.gz DDQMDJCSIQQYMP-DGCLKSJQSA-N 2 2 274.430 0.741 20 0 CCADLP C[N@H+]1CCC[C@H](C[NH2+][C@H](CS(C)(=O)=O)C2CC2)C1 ZINC000559765843 291087798 /nfs/dbraw/zinc/08/77/98/291087798.db2.gz DDQMDJCSIQQYMP-DGCLKSJQSA-N 2 2 274.430 0.741 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H](CO)[C@@H]2CCOC2)C[N@@H+]1C1CC1 ZINC000360761278 138009882 /nfs/dbraw/zinc/00/98/82/138009882.db2.gz AQQVMOMRDCCPLO-SYQHCUMBSA-N 2 2 268.401 0.846 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H](CO)[C@@H]2CCOC2)C[N@H+]1C1CC1 ZINC000360761278 138009883 /nfs/dbraw/zinc/00/98/83/138009883.db2.gz AQQVMOMRDCCPLO-SYQHCUMBSA-N 2 2 268.401 0.846 20 0 CCADLP Cc1cccc(NCCNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)[nH+]1 ZINC000360833194 138012770 /nfs/dbraw/zinc/01/27/70/138012770.db2.gz NAVBRVIYCWFXMG-JTQLQIEISA-N 2 2 284.310 0.915 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CN(C)CCN1C ZINC000361342921 138030004 /nfs/dbraw/zinc/03/00/04/138030004.db2.gz YSVFWEJWXCEGKP-RDBSUJKOSA-N 2 2 254.422 0.162 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CN(C)CCN1C ZINC000361342921 138030005 /nfs/dbraw/zinc/03/00/05/138030005.db2.gz YSVFWEJWXCEGKP-RDBSUJKOSA-N 2 2 254.422 0.162 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1NC[C@H]1C[NH+](C)CCN1C ZINC000361342921 138030006 /nfs/dbraw/zinc/03/00/06/138030006.db2.gz YSVFWEJWXCEGKP-RDBSUJKOSA-N 2 2 254.422 0.162 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@H]1C[NH+](C)CCN1C ZINC000361342921 138030007 /nfs/dbraw/zinc/03/00/07/138030007.db2.gz YSVFWEJWXCEGKP-RDBSUJKOSA-N 2 2 254.422 0.162 20 0 CCADLP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@H]1C[N@H+](C)CCN1C ZINC000361342921 138030008 /nfs/dbraw/zinc/03/00/08/138030008.db2.gz YSVFWEJWXCEGKP-RDBSUJKOSA-N 2 2 254.422 0.162 20 0 CCADLP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@H]1C[N@@H+](C)CCN1C ZINC000361342921 138030009 /nfs/dbraw/zinc/03/00/09/138030009.db2.gz YSVFWEJWXCEGKP-RDBSUJKOSA-N 2 2 254.422 0.162 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCCNC2=O)CC1 ZINC000360963233 138017400 /nfs/dbraw/zinc/01/74/00/138017400.db2.gz AEPMVFNFQQMFDJ-CYBMUJFWSA-N 2 2 297.399 0.272 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)[C@@H]1CCOC1 ZINC000354330943 356391277 /nfs/dbraw/zinc/39/12/77/356391277.db2.gz BRSOEHYDXLYCHA-XQQFMLRXSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)[C@@H]1CCOC1 ZINC000354330943 356391281 /nfs/dbraw/zinc/39/12/81/356391281.db2.gz BRSOEHYDXLYCHA-XQQFMLRXSA-N 2 2 269.389 0.341 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCOCC2)C[C@@H]1C ZINC000354226619 356369780 /nfs/dbraw/zinc/36/97/80/356369780.db2.gz XCFBDNBAUORERS-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCOCC2)C[C@@H]1C ZINC000354226619 356369783 /nfs/dbraw/zinc/36/97/83/356369783.db2.gz XCFBDNBAUORERS-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCOCC2)C[C@@H]1C ZINC000354226619 356369787 /nfs/dbraw/zinc/36/97/87/356369787.db2.gz XCFBDNBAUORERS-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCOCC2)C[C@@H]1C ZINC000354226619 356369794 /nfs/dbraw/zinc/36/97/94/356369794.db2.gz XCFBDNBAUORERS-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CCC(F)(F)F)C1 ZINC000362832347 138076032 /nfs/dbraw/zinc/07/60/32/138076032.db2.gz XRAREEAIKBUXGA-JTQLQIEISA-N 2 2 279.306 0.835 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC000362832347 138076033 /nfs/dbraw/zinc/07/60/33/138076033.db2.gz XRAREEAIKBUXGA-JTQLQIEISA-N 2 2 279.306 0.835 20 0 CCADLP C[N@@H+]1CCC[C@@H](N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000362945936 138081753 /nfs/dbraw/zinc/08/17/53/138081753.db2.gz UCDYNYRTASVTRH-CYBMUJFWSA-N 2 2 263.389 0.622 20 0 CCADLP C[N@H+]1CCC[C@@H](N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000362945936 138081754 /nfs/dbraw/zinc/08/17/54/138081754.db2.gz UCDYNYRTASVTRH-CYBMUJFWSA-N 2 2 263.389 0.622 20 0 CCADLP Cc1nc(NC[C@H]2C[N@@H+](C)CCN2C)c(C)c(C)[nH+]1 ZINC000354384961 356403365 /nfs/dbraw/zinc/40/33/65/356403365.db2.gz KDJKXXOTVSTOFY-ZDUSSCGKSA-N 2 2 263.389 0.481 20 0 CCADLP Cc1nc(NC[C@H]2C[N@H+](C)CCN2C)c(C)c(C)[nH+]1 ZINC000354384961 356403369 /nfs/dbraw/zinc/40/33/69/356403369.db2.gz KDJKXXOTVSTOFY-ZDUSSCGKSA-N 2 2 263.389 0.481 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000362679377 138069557 /nfs/dbraw/zinc/06/95/57/138069557.db2.gz FBGZBEUPYWLAPY-CQSZACIVSA-N 2 2 274.368 0.478 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000362679377 138069558 /nfs/dbraw/zinc/06/95/58/138069558.db2.gz FBGZBEUPYWLAPY-CQSZACIVSA-N 2 2 274.368 0.478 20 0 CCADLP C[C@@H](C(=O)N1CC[C@H](C[NH+](C)C)C1)[NH+]1CCOCC1 ZINC000354948948 356535106 /nfs/dbraw/zinc/53/51/06/356535106.db2.gz BREJVRZXTPZJRG-QWHCGFSZSA-N 2 2 269.389 0.117 20 0 CCADLP C[NH+](C)CCCCC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000560607757 291109647 /nfs/dbraw/zinc/10/96/47/291109647.db2.gz GCJQXJOADLKLNY-UHFFFAOYSA-N 2 2 285.432 0.945 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH+]1CCOCC1 ZINC000355408705 356625530 /nfs/dbraw/zinc/62/55/30/356625530.db2.gz GAPCUQRTRZQPEF-BETUJISGSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH+]1CCOCC1 ZINC000355408705 356625534 /nfs/dbraw/zinc/62/55/34/356625534.db2.gz GAPCUQRTRZQPEF-BETUJISGSA-N 2 2 269.389 0.308 20 0 CCADLP O[C@@H]1CCC[C@H]1[C@H]1COCC[N@@H+]1CCn1cc[nH+]c1 ZINC000328984300 202140154 /nfs/dbraw/zinc/14/01/54/202140154.db2.gz STOKYEXISNZFGG-BFHYXJOUSA-N 2 2 265.357 0.745 20 0 CCADLP O[C@@H]1CCC[C@H]1[C@H]1COCC[N@H+]1CCn1cc[nH+]c1 ZINC000328984300 202140158 /nfs/dbraw/zinc/14/01/58/202140158.db2.gz STOKYEXISNZFGG-BFHYXJOUSA-N 2 2 265.357 0.745 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)C23CCC[NH+]2CCC3)CCO1 ZINC000356052843 356692912 /nfs/dbraw/zinc/69/29/12/356692912.db2.gz MQSHUQVBVDPLBC-CQSZACIVSA-N 2 2 295.427 0.842 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)C23CCC[NH+]2CCC3)CCO1 ZINC000356052843 356692919 /nfs/dbraw/zinc/69/29/19/356692919.db2.gz MQSHUQVBVDPLBC-CQSZACIVSA-N 2 2 295.427 0.842 20 0 CCADLP C[C@@H](C(=O)N1CCC2(CC[NH2+]CC2)CC1)[NH+]1CCOCC1 ZINC000357873885 356773306 /nfs/dbraw/zinc/77/33/06/356773306.db2.gz INYJXVCVCSKCFQ-AWEZNQCLSA-N 2 2 295.427 0.699 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000359268179 356789307 /nfs/dbraw/zinc/78/93/07/356789307.db2.gz UNOLGYNFVWQXEP-IINYFYTJSA-N 2 2 292.383 0.949 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000359268179 356789310 /nfs/dbraw/zinc/78/93/10/356789310.db2.gz UNOLGYNFVWQXEP-IINYFYTJSA-N 2 2 292.383 0.949 20 0 CCADLP Cc1ccccc1CNC(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359269827 356789903 /nfs/dbraw/zinc/78/99/03/356789903.db2.gz CZODUVZRCUCBCS-GJZGRUSLSA-N 2 2 273.380 0.762 20 0 CCADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000359296420 356797397 /nfs/dbraw/zinc/79/73/97/356797397.db2.gz CVCBUAYVHRRZAJ-LXTVHRRPSA-N 2 2 293.411 0.308 20 0 CCADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000359296420 356797399 /nfs/dbraw/zinc/79/73/99/356797399.db2.gz CVCBUAYVHRRZAJ-LXTVHRRPSA-N 2 2 293.411 0.308 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC000359442646 356823071 /nfs/dbraw/zinc/82/30/71/356823071.db2.gz SQZLFRAFNKAMAY-UHFFFAOYSA-N 2 2 263.301 0.698 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+](C)[C@@H]2CCSC2)C[C@H](C)[N@@H+]1C ZINC000358685517 356781674 /nfs/dbraw/zinc/78/16/74/356781674.db2.gz MDCYEKYCUUHVPS-FRRDWIJNSA-N 2 2 285.457 0.975 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+](C)[C@@H]2CCSC2)C[C@H](C)[NH+]1C ZINC000358685517 356781677 /nfs/dbraw/zinc/78/16/77/356781677.db2.gz MDCYEKYCUUHVPS-FRRDWIJNSA-N 2 2 285.457 0.975 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)C[C@H](C)[NH+]1C ZINC000358685517 356781680 /nfs/dbraw/zinc/78/16/80/356781680.db2.gz MDCYEKYCUUHVPS-FRRDWIJNSA-N 2 2 285.457 0.975 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000359660231 356866492 /nfs/dbraw/zinc/86/64/92/356866492.db2.gz UJHDCBVZPOFVOG-UWVGGRQHSA-N 2 2 265.361 0.516 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000359660231 356866496 /nfs/dbraw/zinc/86/64/96/356866496.db2.gz UJHDCBVZPOFVOG-UWVGGRQHSA-N 2 2 265.361 0.516 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N2CC([NH+](C)C)C2)no1 ZINC000359623422 356860484 /nfs/dbraw/zinc/86/04/84/356860484.db2.gz QPNTXQSBLZXESC-UHFFFAOYSA-N 2 2 252.318 0.122 20 0 CCADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)NC(=O)NC2CC2)CC1 ZINC000359953146 356927312 /nfs/dbraw/zinc/92/73/12/356927312.db2.gz UTKAPLSNPJTQHK-JTQLQIEISA-N 2 2 282.388 0.437 20 0 CCADLP CCCNC(=O)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655682760 412646305 /nfs/dbraw/zinc/64/63/05/412646305.db2.gz JJIGEWNZZDYWRD-CYBMUJFWSA-N 2 2 269.389 0.356 20 0 CCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000360443359 357012986 /nfs/dbraw/zinc/01/29/86/357012986.db2.gz IWAKUWURJJXPSE-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000360443359 357012991 /nfs/dbraw/zinc/01/29/91/357012991.db2.gz IWAKUWURJJXPSE-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP CNC(=O)C[N@@H+]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC000364335584 357110085 /nfs/dbraw/zinc/11/00/85/357110085.db2.gz HCPNAZZIUMEPQD-UHFFFAOYSA-N 2 2 263.345 0.043 20 0 CCADLP CNC(=O)C[N@H+]1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC000364335584 357110087 /nfs/dbraw/zinc/11/00/87/357110087.db2.gz HCPNAZZIUMEPQD-UHFFFAOYSA-N 2 2 263.345 0.043 20 0 CCADLP O=C(NCC[N@@H+]1CCCOCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000364471110 357113610 /nfs/dbraw/zinc/11/36/10/357113610.db2.gz XAYPCKBLTVIYKI-ZDUSSCGKSA-N 2 2 292.383 0.284 20 0 CCADLP O=C(NCC[N@H+]1CCCOCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000364471110 357113616 /nfs/dbraw/zinc/11/36/16/357113616.db2.gz XAYPCKBLTVIYKI-ZDUSSCGKSA-N 2 2 292.383 0.284 20 0 CCADLP C[NH+](C)C[C@@H](O)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655712416 412649194 /nfs/dbraw/zinc/64/91/94/412649194.db2.gz MWXPNLLPTJVGEN-LSDHHAIUSA-N 3 2 285.432 0.142 20 0 CCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000365306565 357142357 /nfs/dbraw/zinc/14/23/57/357142357.db2.gz SXTPHYUAYUAZBA-ZDUSSCGKSA-N 2 2 292.383 0.508 20 0 CCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000365306565 357142364 /nfs/dbraw/zinc/14/23/64/357142364.db2.gz SXTPHYUAYUAZBA-ZDUSSCGKSA-N 2 2 292.383 0.508 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3=CCCCO3)C2)CC1 ZINC000365695583 357164810 /nfs/dbraw/zinc/16/48/10/357164810.db2.gz JVXAOAIXVCKBHK-CYBMUJFWSA-N 2 2 293.411 0.965 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3=CCCCO3)C2)CC1 ZINC000365695583 357164813 /nfs/dbraw/zinc/16/48/13/357164813.db2.gz JVXAOAIXVCKBHK-CYBMUJFWSA-N 2 2 293.411 0.965 20 0 CCADLP C[C@@H](CCCO)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655722793 412652258 /nfs/dbraw/zinc/65/22/58/412652258.db2.gz IODKPBHULOBJEJ-JSGCOSHPSA-N 2 2 256.390 0.990 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000367850436 357285105 /nfs/dbraw/zinc/28/51/05/357285105.db2.gz QOECKBNZAZTXBU-CYBMUJFWSA-N 2 2 285.413 0.948 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000367850436 357285107 /nfs/dbraw/zinc/28/51/07/357285107.db2.gz QOECKBNZAZTXBU-CYBMUJFWSA-N 2 2 285.413 0.948 20 0 CCADLP C1C[C@@H]([NH+]2CCC([NH2+]C3COCCOC3)CC2)CO1 ZINC000655769735 412657608 /nfs/dbraw/zinc/65/76/08/412657608.db2.gz NTBLESRASZXEPN-CQSZACIVSA-N 2 2 270.373 0.245 20 0 CCADLP C[C@@H]([NH2+]C1CC1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000449116842 236017991 /nfs/dbraw/zinc/01/79/91/236017991.db2.gz MMCQKVALCWQJRK-LLVKDONJSA-N 2 2 269.389 0.354 20 0 CCADLP C[C@@H]([NH2+]C1CC1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000449116842 236017992 /nfs/dbraw/zinc/01/79/92/236017992.db2.gz MMCQKVALCWQJRK-LLVKDONJSA-N 2 2 269.389 0.354 20 0 CCADLP C[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449397496 236033259 /nfs/dbraw/zinc/03/32/59/236033259.db2.gz VJJYKRXBXZVNNQ-KGLIPLIRSA-N 2 2 266.389 0.708 20 0 CCADLP C[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449397496 236033261 /nfs/dbraw/zinc/03/32/61/236033261.db2.gz VJJYKRXBXZVNNQ-KGLIPLIRSA-N 2 2 266.389 0.708 20 0 CCADLP Cc1nc(N2CC[C@H]([NH+]3CCCCC3)C2)nc(N)[nH+]1 ZINC000382349290 357712605 /nfs/dbraw/zinc/71/26/05/357712605.db2.gz FQFOCBUYLPGCMW-NSHDSACASA-N 2 2 262.361 0.657 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000449603984 236040570 /nfs/dbraw/zinc/04/05/70/236040570.db2.gz SAUFZTSAEYKLSO-OLZOCXBDSA-N 2 2 291.399 0.056 20 0 CCADLP C[C@H](Cn1cccn1)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000449395140 236031992 /nfs/dbraw/zinc/03/19/92/236031992.db2.gz IAUCBANDSFDWTI-KGLIPLIRSA-N 2 2 266.389 0.708 20 0 CCADLP C[C@H](Cn1cccn1)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000449395140 236031995 /nfs/dbraw/zinc/03/19/95/236031995.db2.gz IAUCBANDSFDWTI-KGLIPLIRSA-N 2 2 266.389 0.708 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCCOC1 ZINC000401677265 357802724 /nfs/dbraw/zinc/80/27/24/357802724.db2.gz TYFQFUUZWDVARX-CHWSQXEVSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCCOC1 ZINC000401677265 357802729 /nfs/dbraw/zinc/80/27/29/357802729.db2.gz TYFQFUUZWDVARX-CHWSQXEVSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H]1CCCOC1 ZINC000401677265 357802733 /nfs/dbraw/zinc/80/27/33/357802733.db2.gz TYFQFUUZWDVARX-CHWSQXEVSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCCOC1 ZINC000401677265 357802736 /nfs/dbraw/zinc/80/27/36/357802736.db2.gz TYFQFUUZWDVARX-CHWSQXEVSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(C)(CO)CC1 ZINC000401749188 357804469 /nfs/dbraw/zinc/80/44/69/357804469.db2.gz WUDFVERQSJYVGG-ZDUSSCGKSA-N 2 2 274.405 0.020 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C)(CO)CC1 ZINC000401749188 357804473 /nfs/dbraw/zinc/80/44/73/357804473.db2.gz WUDFVERQSJYVGG-ZDUSSCGKSA-N 2 2 274.405 0.020 20 0 CCADLP C[C@H](C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)[NH+]1CC(C)C1 ZINC000561266206 291125070 /nfs/dbraw/zinc/12/50/70/291125070.db2.gz NJBHHHAEALVSHQ-RRFJBIMHSA-N 2 2 295.427 0.506 20 0 CCADLP C[N@H+](CC(=O)N1CCc2ccccc2C1)C1CC([NH3+])C1 ZINC000336233401 213065080 /nfs/dbraw/zinc/06/50/80/213065080.db2.gz GIAORDSBJFHBAE-UHFFFAOYSA-N 2 2 273.380 0.993 20 0 CCADLP C[N@@H+](CC(=O)N1CCc2ccccc2C1)C1CC([NH3+])C1 ZINC000336233401 213065081 /nfs/dbraw/zinc/06/50/81/213065081.db2.gz GIAORDSBJFHBAE-UHFFFAOYSA-N 2 2 273.380 0.993 20 0 CCADLP COC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)C1CC1 ZINC000453258060 236274701 /nfs/dbraw/zinc/27/47/01/236274701.db2.gz HOVHKWBKHOJVSZ-UONOGXRCSA-N 2 2 256.390 0.848 20 0 CCADLP COC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)C1CC1 ZINC000453258060 236274705 /nfs/dbraw/zinc/27/47/05/236274705.db2.gz HOVHKWBKHOJVSZ-UONOGXRCSA-N 2 2 256.390 0.848 20 0 CCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000418575701 358160949 /nfs/dbraw/zinc/16/09/49/358160949.db2.gz WZLFMMQISISOCV-QWHCGFSZSA-N 2 2 291.399 0.817 20 0 CCADLP C[N@H+]([C@@H]1CCN(CC(F)(F)F)C1=O)C1(C[NH3+])CCC1 ZINC000420324675 358179117 /nfs/dbraw/zinc/17/91/17/358179117.db2.gz HMJFIDJNNKJTMN-SECBINFHSA-N 2 2 279.306 0.963 20 0 CCADLP C[N@@H+]([C@@H]1CCN(CC(F)(F)F)C1=O)C1(C[NH3+])CCC1 ZINC000420324675 358179122 /nfs/dbraw/zinc/17/91/22/358179122.db2.gz HMJFIDJNNKJTMN-SECBINFHSA-N 2 2 279.306 0.963 20 0 CCADLP CCS(=O)(=O)NCCC[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000420293817 358179542 /nfs/dbraw/zinc/17/95/42/358179542.db2.gz NNUVFZCBXBZXEP-LLVKDONJSA-N 2 2 263.407 0.129 20 0 CCADLP CCS(=O)(=O)NCCC[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000420293817 358179543 /nfs/dbraw/zinc/17/95/43/358179543.db2.gz NNUVFZCBXBZXEP-LLVKDONJSA-N 2 2 263.407 0.129 20 0 CCADLP C[NH2+]CCC[N@H+](C)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000420382354 358181367 /nfs/dbraw/zinc/18/13/67/358181367.db2.gz AHMVEEJOHWDRLE-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH2+]CCC[N@@H+](C)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000420382354 358181369 /nfs/dbraw/zinc/18/13/69/358181369.db2.gz AHMVEEJOHWDRLE-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@H](C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)C[NH+]1CCOCC1 ZINC000422765845 358193153 /nfs/dbraw/zinc/19/31/53/358193153.db2.gz PLFILDQYYJKIAL-KFWWJZLASA-N 3 2 269.433 0.932 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000423194996 358197415 /nfs/dbraw/zinc/19/74/15/358197415.db2.gz XCIDTWHBLHXOIX-GHMZBOCLSA-N 2 2 262.419 0.787 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000423373196 358199692 /nfs/dbraw/zinc/19/96/92/358199692.db2.gz IWPPFYVKFNRCHJ-FRRDWIJNSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC000423373196 358199694 /nfs/dbraw/zinc/19/96/94/358199694.db2.gz IWPPFYVKFNRCHJ-FRRDWIJNSA-N 2 2 269.389 0.211 20 0 CCADLP NC(=O)c1c[nH+]ccc1NCc1cn2ccccc2[nH+]1 ZINC000562251022 291140487 /nfs/dbraw/zinc/14/04/87/291140487.db2.gz ZYCWWGLHWRHKKE-UHFFFAOYSA-N 2 2 267.292 0.862 20 0 CCADLP O=C(NCC1([NH+]2CCOCC2)CC1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000427421562 358218774 /nfs/dbraw/zinc/21/87/74/358218774.db2.gz QCSDDOUNAGXUFM-AWEZNQCLSA-N 2 2 293.411 0.594 20 0 CCADLP O=C(NCC1([NH+]2CCOCC2)CC1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000427421562 358218776 /nfs/dbraw/zinc/21/87/76/358218776.db2.gz QCSDDOUNAGXUFM-AWEZNQCLSA-N 2 2 293.411 0.594 20 0 CCADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)CC[NH3+])cc1 ZINC000430843633 358229597 /nfs/dbraw/zinc/22/95/97/358229597.db2.gz ZTILYTJZVSHMOL-OAHLLOKOSA-N 2 2 291.395 0.833 20 0 CCADLP C[C@H]1CN(C(=O)C(C)(C)C[NH3+])C[C@H]1[NH+]1CCOCC1 ZINC000431012225 358230062 /nfs/dbraw/zinc/23/00/62/358230062.db2.gz DQMLORZWWNKFOD-NWDGAFQWSA-N 2 2 269.389 0.150 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cn1cc[nH+]c1 ZINC000562274599 291141263 /nfs/dbraw/zinc/14/12/63/291141263.db2.gz BIRFVFFWKDDVEG-VXGBXAGGSA-N 2 2 250.346 0.682 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)Cn1cc[nH+]c1 ZINC000562274599 291141266 /nfs/dbraw/zinc/14/12/66/291141266.db2.gz BIRFVFFWKDDVEG-VXGBXAGGSA-N 2 2 250.346 0.682 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000517381735 358342816 /nfs/dbraw/zinc/34/28/16/358342816.db2.gz NUEAFUHHPYKZQL-GJZGRUSLSA-N 3 2 269.433 0.765 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000517381735 358342818 /nfs/dbraw/zinc/34/28/18/358342818.db2.gz NUEAFUHHPYKZQL-GJZGRUSLSA-N 3 2 269.433 0.765 20 0 CCADLP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530219037 358380595 /nfs/dbraw/zinc/38/05/95/358380595.db2.gz YTJNWPGQNUDEER-CYDGBPFRSA-N 3 2 253.390 0.613 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](Cc2cc(CO)ccc2F)CCCO1 ZINC000530219990 358380831 /nfs/dbraw/zinc/38/08/31/358380831.db2.gz AOBKDUJAGIZYRS-CYBMUJFWSA-N 2 2 268.332 0.868 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(CO)ccc2F)CCCO1 ZINC000530219990 358380835 /nfs/dbraw/zinc/38/08/35/358380835.db2.gz AOBKDUJAGIZYRS-CYBMUJFWSA-N 2 2 268.332 0.868 20 0 CCADLP C[N@@H+](Cc1cccnc1C(F)(F)F)C[C@@H](O)C[NH3+] ZINC000530228210 358382702 /nfs/dbraw/zinc/38/27/02/358382702.db2.gz YUNAZJXJLPHYAN-VIFPVBQESA-N 2 2 263.263 0.852 20 0 CCADLP C[N@H+](Cc1cccnc1C(F)(F)F)C[C@@H](O)C[NH3+] ZINC000530228210 358382708 /nfs/dbraw/zinc/38/27/08/358382708.db2.gz YUNAZJXJLPHYAN-VIFPVBQESA-N 2 2 263.263 0.852 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH3+])[C@@H]1CCN(C2CCCCC2)C1=O ZINC000530226669 358383245 /nfs/dbraw/zinc/38/32/45/358383245.db2.gz PPTDCUWXYARSFR-QWHCGFSZSA-N 2 2 269.389 0.171 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH3+])[C@@H]1CCN(C2CCCCC2)C1=O ZINC000530226669 358383247 /nfs/dbraw/zinc/38/32/47/358383247.db2.gz PPTDCUWXYARSFR-QWHCGFSZSA-N 2 2 269.389 0.171 20 0 CCADLP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)Cn1cccn1 ZINC000530245410 358386329 /nfs/dbraw/zinc/38/63/29/358386329.db2.gz YDYASDPNZOOARB-GJZGRUSLSA-N 2 2 278.400 0.851 20 0 CCADLP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)Cn1cccn1 ZINC000530245410 358386332 /nfs/dbraw/zinc/38/63/32/358386332.db2.gz YDYASDPNZOOARB-GJZGRUSLSA-N 2 2 278.400 0.851 20 0 CCADLP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000530360558 358395131 /nfs/dbraw/zinc/39/51/31/358395131.db2.gz NAIANKIVFQIWIX-JSGCOSHPSA-N 2 2 264.373 0.454 20 0 CCADLP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000530360558 358395134 /nfs/dbraw/zinc/39/51/34/358395134.db2.gz NAIANKIVFQIWIX-JSGCOSHPSA-N 2 2 264.373 0.454 20 0 CCADLP COc1ccnc(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])n1 ZINC000567674521 358569193 /nfs/dbraw/zinc/56/91/93/358569193.db2.gz OSZOFUTXBUFDIK-GARJFASQSA-N 2 2 266.345 0.327 20 0 CCADLP CC[N@H+](CCNC(=O)[C@H]([NH3+])c1cscn1)C1CC1 ZINC000567763003 358583044 /nfs/dbraw/zinc/58/30/44/358583044.db2.gz KABRUQIPWNLVEO-LLVKDONJSA-N 2 2 268.386 0.743 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@H]([NH3+])c1cscn1)C1CC1 ZINC000567763003 358583048 /nfs/dbraw/zinc/58/30/48/358583048.db2.gz KABRUQIPWNLVEO-LLVKDONJSA-N 2 2 268.386 0.743 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)C1CC1 ZINC000567683449 358570909 /nfs/dbraw/zinc/57/09/09/358570909.db2.gz NXWITKLQEMBPCD-AAEUAGOBSA-N 2 2 283.416 0.431 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)C1CC1 ZINC000567683449 358570912 /nfs/dbraw/zinc/57/09/12/358570912.db2.gz NXWITKLQEMBPCD-AAEUAGOBSA-N 2 2 283.416 0.431 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C[C@@H](C)O1 ZINC000567889201 358606395 /nfs/dbraw/zinc/60/63/95/358606395.db2.gz BQJYTRZVLNWSLE-FMKPAKJESA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C[C@@H](C)O1 ZINC000567889201 358606398 /nfs/dbraw/zinc/60/63/98/358606398.db2.gz BQJYTRZVLNWSLE-FMKPAKJESA-N 2 2 295.427 0.698 20 0 CCADLP C[NH2+]CCC1CCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000567908045 358611112 /nfs/dbraw/zinc/61/11/12/358611112.db2.gz PXYLBOZZXXIOEX-AWEZNQCLSA-N 2 2 296.459 0.470 20 0 CCADLP COCCN1CCC[N@H+](CCCc2c[nH+]cn2C)CC1=O ZINC000568166464 358637807 /nfs/dbraw/zinc/63/78/07/358637807.db2.gz LOSXSOMDZMWWLV-UHFFFAOYSA-N 2 2 294.399 0.533 20 0 CCADLP COCCN1CCC[N@@H+](CCCc2c[nH+]cn2C)CC1=O ZINC000568166464 358637809 /nfs/dbraw/zinc/63/78/09/358637809.db2.gz LOSXSOMDZMWWLV-UHFFFAOYSA-N 2 2 294.399 0.533 20 0 CCADLP CCN(CC)C(=O)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000363218739 535431480 /nfs/dbraw/zinc/43/14/80/535431480.db2.gz LOHAUTLHJBNLDD-OAHLLOKOSA-N 2 2 296.459 0.567 20 0 CCADLP CCN(CC)C(=O)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000363218739 535431484 /nfs/dbraw/zinc/43/14/84/535431484.db2.gz LOHAUTLHJBNLDD-OAHLLOKOSA-N 2 2 296.459 0.567 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)CC2(CCC2)O1 ZINC000567810898 358589568 /nfs/dbraw/zinc/58/95/68/358589568.db2.gz LLVPLMFOLIFPDV-ZDUSSCGKSA-N 2 2 281.400 0.404 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CC2(CCC2)O1 ZINC000567810898 358589571 /nfs/dbraw/zinc/58/95/71/358589571.db2.gz LLVPLMFOLIFPDV-ZDUSSCGKSA-N 2 2 281.400 0.404 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CCOc3ccc(F)cc3)CCN2C1=O ZINC000568267990 358659878 /nfs/dbraw/zinc/65/98/78/358659878.db2.gz PNKACGFWYLKXOQ-GXTWGEPZSA-N 2 2 293.342 0.448 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCOc3ccc(F)cc3)CCN2C1=O ZINC000568267990 358659882 /nfs/dbraw/zinc/65/98/82/358659882.db2.gz PNKACGFWYLKXOQ-GXTWGEPZSA-N 2 2 293.342 0.448 20 0 CCADLP C[C@@H](CC(=O)NC[C@H]1CC[N@H+](C)C1)n1cc[nH+]c1 ZINC000568398927 358672622 /nfs/dbraw/zinc/67/26/22/358672622.db2.gz SPQLWLXLBAHHIZ-NWDGAFQWSA-N 2 2 250.346 0.902 20 0 CCADLP C[C@@H](CC(=O)NC[C@H]1CC[N@@H+](C)C1)n1cc[nH+]c1 ZINC000568398927 358672625 /nfs/dbraw/zinc/67/26/25/358672625.db2.gz SPQLWLXLBAHHIZ-NWDGAFQWSA-N 2 2 250.346 0.902 20 0 CCADLP CC(C)[N@H+](C)CC1CC[NH+](Cc2nnn(C)n2)CC1 ZINC000568469523 358676369 /nfs/dbraw/zinc/67/63/69/358676369.db2.gz DJTFNXQKWMKSIZ-UHFFFAOYSA-N 2 2 266.393 0.762 20 0 CCADLP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nnn(C)n2)CC1 ZINC000568469523 358676372 /nfs/dbraw/zinc/67/63/72/358676372.db2.gz DJTFNXQKWMKSIZ-UHFFFAOYSA-N 2 2 266.393 0.762 20 0 CCADLP Cc1nc(N2CCN(C(=O)CC[NH2+]C(C)C)CC2)cc[nH+]1 ZINC000568507699 358679923 /nfs/dbraw/zinc/67/99/23/358679923.db2.gz JCYDDEQTZWGBDG-UHFFFAOYSA-N 2 2 291.399 0.822 20 0 CCADLP C[C@@H](CN1CCOCC1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000568590268 358687053 /nfs/dbraw/zinc/68/70/53/358687053.db2.gz ROYPFKUOGXACAE-ZDUSSCGKSA-N 2 2 279.388 0.252 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000568590268 358687054 /nfs/dbraw/zinc/68/70/54/358687054.db2.gz ROYPFKUOGXACAE-ZDUSSCGKSA-N 2 2 279.388 0.252 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C[C@H](C)O)C(C)C ZINC000569234679 358746122 /nfs/dbraw/zinc/74/61/22/358746122.db2.gz HFFCUMOSLKKKLB-STQMWFEESA-N 2 2 262.394 0.017 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C[C@H](C)O)C(C)C ZINC000569234679 358746127 /nfs/dbraw/zinc/74/61/27/358746127.db2.gz HFFCUMOSLKKKLB-STQMWFEESA-N 2 2 262.394 0.017 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C[C@H](C)O)C(C)C ZINC000569234679 358746131 /nfs/dbraw/zinc/74/61/31/358746131.db2.gz HFFCUMOSLKKKLB-STQMWFEESA-N 2 2 262.394 0.017 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C[C@H](C)O)C(C)C ZINC000569234679 358746133 /nfs/dbraw/zinc/74/61/33/358746133.db2.gz HFFCUMOSLKKKLB-STQMWFEESA-N 2 2 262.394 0.017 20 0 CCADLP C[NH2+]C[C@](C)(O)CN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000569250768 358748413 /nfs/dbraw/zinc/74/84/13/358748413.db2.gz SHDWPUXIYRMSHT-INIZCTEOSA-N 2 2 295.402 0.914 20 0 CCADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000569250768 358748414 /nfs/dbraw/zinc/74/84/14/358748414.db2.gz SHDWPUXIYRMSHT-INIZCTEOSA-N 2 2 295.402 0.914 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000568864935 358711155 /nfs/dbraw/zinc/71/11/55/358711155.db2.gz YUWOTWQUYSWEPB-JTQLQIEISA-N 2 2 263.332 0.817 20 0 CCADLP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]([NH3+])c1cscn1 ZINC000569099190 358732834 /nfs/dbraw/zinc/73/28/34/358732834.db2.gz SQWZTUUHJDYDEM-MWLCHTKSSA-N 2 2 270.402 0.989 20 0 CCADLP [NH3+][C@H](CC(=O)NCc1[nH]cc[nH+]1)Cc1ccccc1 ZINC000569100577 358733426 /nfs/dbraw/zinc/73/34/26/358733426.db2.gz LTDGSDBECVPXPJ-LBPRGKRZSA-N 2 2 258.325 0.986 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000569213597 358742104 /nfs/dbraw/zinc/74/21/04/358742104.db2.gz ZXDAGVDOECTYDE-NWDGAFQWSA-N 2 2 265.361 0.713 20 0 CCADLP CCc1noc(C)c1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000570106233 358824326 /nfs/dbraw/zinc/82/43/26/358824326.db2.gz AIPJHOKBAXWMAB-PWSUYJOCSA-N 2 2 278.356 0.289 20 0 CCADLP CCc1noc(C)c1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000570106233 358824328 /nfs/dbraw/zinc/82/43/28/358824328.db2.gz AIPJHOKBAXWMAB-PWSUYJOCSA-N 2 2 278.356 0.289 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000569694432 358786009 /nfs/dbraw/zinc/78/60/09/358786009.db2.gz TXLURKJXOQUQHQ-GHMZBOCLSA-N 2 2 270.377 0.280 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000569694432 358786013 /nfs/dbraw/zinc/78/60/13/358786013.db2.gz TXLURKJXOQUQHQ-GHMZBOCLSA-N 2 2 270.377 0.280 20 0 CCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000569808404 358794755 /nfs/dbraw/zinc/79/47/55/358794755.db2.gz NXLKCKVBPPJRGC-RYUDHWBXSA-N 2 2 250.346 0.730 20 0 CCADLP COC(=O)COC[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000562667001 291162808 /nfs/dbraw/zinc/16/28/08/291162808.db2.gz CMFADTCZVPGZEN-LLVKDONJSA-N 2 2 281.356 0.887 20 0 CCADLP CCC[C@H](O)C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000570162606 358830040 /nfs/dbraw/zinc/83/00/40/358830040.db2.gz MIGYQPSMEFXCKX-RFQIPJPRSA-N 2 2 274.405 0.207 20 0 CCADLP CCC[C@H](O)C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000570162606 358830045 /nfs/dbraw/zinc/83/00/45/358830045.db2.gz MIGYQPSMEFXCKX-RFQIPJPRSA-N 2 2 274.405 0.207 20 0 CCADLP CC(C)C[C@@H](C)OCCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000573245912 358950772 /nfs/dbraw/zinc/95/07/72/358950772.db2.gz CKYAQUTUXBUOID-KGLIPLIRSA-N 2 2 285.432 0.929 20 0 CCADLP CC(C)C[C@@H](C)OCCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000573245912 358950775 /nfs/dbraw/zinc/95/07/75/358950775.db2.gz CKYAQUTUXBUOID-KGLIPLIRSA-N 2 2 285.432 0.929 20 0 CCADLP CS[C@H](C)C[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000573317737 358956497 /nfs/dbraw/zinc/95/64/97/358956497.db2.gz UCAAFCCIWZFHAN-RVMXOQNASA-N 2 2 276.446 0.798 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCc1cn2c([nH+]1)CCCC2 ZINC000574095329 359028573 /nfs/dbraw/zinc/02/85/73/359028573.db2.gz KKKMOVCIEXCBEI-UHFFFAOYSA-N 2 2 273.340 0.775 20 0 CCADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@H](O)COc1ccccc1F ZINC000574159004 359033451 /nfs/dbraw/zinc/03/34/51/359033451.db2.gz ZACCSOILILBWQK-RYUDHWBXSA-N 2 2 286.347 0.078 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000573636683 358987283 /nfs/dbraw/zinc/98/72/83/358987283.db2.gz QRPUIDIMAOFBCK-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000573636683 358987285 /nfs/dbraw/zinc/98/72/85/358987285.db2.gz QRPUIDIMAOFBCK-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCCC[N@H+]1CCC[C@H]1CO ZINC000573892890 359008951 /nfs/dbraw/zinc/00/89/51/359008951.db2.gz VMTCABJSGXYCTI-ZDUSSCGKSA-N 2 2 280.372 0.236 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000573892890 359008953 /nfs/dbraw/zinc/00/89/53/359008953.db2.gz VMTCABJSGXYCTI-ZDUSSCGKSA-N 2 2 280.372 0.236 20 0 CCADLP CSC1(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000573905651 359010057 /nfs/dbraw/zinc/01/00/57/359010057.db2.gz CJXKXOYDAWUCNE-JTQLQIEISA-N 2 2 272.418 0.166 20 0 CCADLP CSC1(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000573905651 359010059 /nfs/dbraw/zinc/01/00/59/359010059.db2.gz CJXKXOYDAWUCNE-JTQLQIEISA-N 2 2 272.418 0.166 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCOc3cccc(F)c3)CCN2C1=O ZINC000580725456 359086711 /nfs/dbraw/zinc/08/67/11/359086711.db2.gz RSWAMKAFYYWEPP-TZMCWYRMSA-N 2 2 293.342 0.448 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCOc3cccc(F)c3)CCN2C1=O ZINC000580725456 359086714 /nfs/dbraw/zinc/08/67/14/359086714.db2.gz RSWAMKAFYYWEPP-TZMCWYRMSA-N 2 2 293.342 0.448 20 0 CCADLP CCOCC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000581020994 359122642 /nfs/dbraw/zinc/12/26/42/359122642.db2.gz QEAUKAZDQQUAGS-BFHYXJOUSA-N 2 2 256.390 0.942 20 0 CCADLP CCOCC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000581020994 359122645 /nfs/dbraw/zinc/12/26/45/359122645.db2.gz QEAUKAZDQQUAGS-BFHYXJOUSA-N 2 2 256.390 0.942 20 0 CCADLP CCOCC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000581020994 359122650 /nfs/dbraw/zinc/12/26/50/359122650.db2.gz QEAUKAZDQQUAGS-BFHYXJOUSA-N 2 2 256.390 0.942 20 0 CCADLP CCOCC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000581020994 359122655 /nfs/dbraw/zinc/12/26/55/359122655.db2.gz QEAUKAZDQQUAGS-BFHYXJOUSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@H](CC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)n1cc[nH+]c1 ZINC000582306723 359133181 /nfs/dbraw/zinc/13/31/81/359133181.db2.gz BLYBLMXKEGNQEV-KGLIPLIRSA-N 2 2 294.399 0.797 20 0 CCADLP C[C@H](CC(=O)NC[C@@H]1CCC[N@H+]1CCCO)n1cc[nH+]c1 ZINC000582306723 359133184 /nfs/dbraw/zinc/13/31/84/359133184.db2.gz BLYBLMXKEGNQEV-KGLIPLIRSA-N 2 2 294.399 0.797 20 0 CCADLP C[N@H+]1CCN(C(=O)NCc2ccoc2)[C@H](C[NH3+])C1 ZINC000584042621 359160445 /nfs/dbraw/zinc/16/04/45/359160445.db2.gz HCPQWKZOYSZZLA-LLVKDONJSA-N 2 2 252.318 0.064 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+](CCOC)[C@@H]1CCOC1 ZINC000584788496 359206738 /nfs/dbraw/zinc/20/67/38/359206738.db2.gz MROOOCCLDVHCCO-CHWSQXEVSA-N 2 2 260.378 0.036 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](CCOC)[C@@H]1CCOC1 ZINC000584788496 359206741 /nfs/dbraw/zinc/20/67/41/359206741.db2.gz MROOOCCLDVHCCO-CHWSQXEVSA-N 2 2 260.378 0.036 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](CCOC)[C@@H]1CCOC1 ZINC000584788496 359206743 /nfs/dbraw/zinc/20/67/43/359206743.db2.gz MROOOCCLDVHCCO-CHWSQXEVSA-N 2 2 260.378 0.036 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](CCOC)[C@@H]1CCOC1 ZINC000584788496 359206745 /nfs/dbraw/zinc/20/67/45/359206745.db2.gz MROOOCCLDVHCCO-CHWSQXEVSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C(C)C)[C@H]1CCOC1 ZINC000584788786 359208769 /nfs/dbraw/zinc/20/87/69/359208769.db2.gz QRCCNMMJIIRGON-UONOGXRCSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C(C)C)[C@H]1CCOC1 ZINC000584788786 359208771 /nfs/dbraw/zinc/20/87/71/359208771.db2.gz QRCCNMMJIIRGON-UONOGXRCSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C(C)C)[C@H]1CCOC1 ZINC000584788786 359208776 /nfs/dbraw/zinc/20/87/76/359208776.db2.gz QRCCNMMJIIRGON-UONOGXRCSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C(C)C)[C@H]1CCOC1 ZINC000584788786 359208779 /nfs/dbraw/zinc/20/87/79/359208779.db2.gz QRCCNMMJIIRGON-UONOGXRCSA-N 2 2 274.405 0.425 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000562962824 291175445 /nfs/dbraw/zinc/17/54/45/291175445.db2.gz MXZWUDFSMXZNKN-KWCYVHTRSA-N 3 2 255.406 0.861 20 0 CCADLP COC(=O)c1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1C ZINC000589167669 359364030 /nfs/dbraw/zinc/36/40/30/359364030.db2.gz MSVRXLRWIMDKJH-TXEJJXNPSA-N 2 2 263.341 0.463 20 0 CCADLP COC(=O)c1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cn1C ZINC000589167669 359364033 /nfs/dbraw/zinc/36/40/33/359364033.db2.gz MSVRXLRWIMDKJH-TXEJJXNPSA-N 2 2 263.341 0.463 20 0 CCADLP O=C(NCCNc1cccc[nH+]1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000563065365 291187464 /nfs/dbraw/zinc/18/74/64/291187464.db2.gz NHAFSOHWMPODNH-BXUZGUMPSA-N 2 2 260.341 0.609 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCC[NH+]1CCCOCC1 ZINC000563058846 291186165 /nfs/dbraw/zinc/18/61/65/291186165.db2.gz ZYFZLFMJQURYNS-CQSZACIVSA-N 2 2 298.431 0.444 20 0 CCADLP CC[C@@H]1C[NH+](C)CCN1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000563058846 291186167 /nfs/dbraw/zinc/18/61/67/291186167.db2.gz ZYFZLFMJQURYNS-CQSZACIVSA-N 2 2 298.431 0.444 20 0 CCADLP CC[C@@H]1C[NH+](C)CCN1C(=O)NCC[N@H+]1CCCOCC1 ZINC000563058846 291186169 /nfs/dbraw/zinc/18/61/69/291186169.db2.gz ZYFZLFMJQURYNS-CQSZACIVSA-N 2 2 298.431 0.444 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)[C@@H](C)C1 ZINC000591686757 359639419 /nfs/dbraw/zinc/63/94/19/359639419.db2.gz XZUCFGWMYMKJIT-WCQYABFASA-N 2 2 297.399 0.080 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)[C@@H](C)C1 ZINC000591686757 359639423 /nfs/dbraw/zinc/63/94/23/359639423.db2.gz XZUCFGWMYMKJIT-WCQYABFASA-N 2 2 297.399 0.080 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)N1CC[NH+](CC2CC2)CC1 ZINC000492779933 237294526 /nfs/dbraw/zinc/29/45/26/237294526.db2.gz XKPLAIGJIYQZLL-ARJAWSKDSA-N 2 2 260.341 0.977 20 0 CCADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492808712 237303389 /nfs/dbraw/zinc/30/33/89/237303389.db2.gz DIUPZVLVPRJDCQ-GJBLVYBDSA-N 2 2 292.383 0.992 20 0 CCADLP CCn1cc[nH+]c1CN1CC[NH+](CCCCO)CC1 ZINC000591913981 359692630 /nfs/dbraw/zinc/69/26/30/359692630.db2.gz IOBUXXFIGKEVCV-UHFFFAOYSA-N 2 2 266.389 0.793 20 0 CCADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ncc[nH]2)CC1 ZINC000329285949 202267187 /nfs/dbraw/zinc/26/71/87/202267187.db2.gz PBIMJBCIUZMONR-QWHCGFSZSA-N 2 2 264.373 0.877 20 0 CCADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC(NCc2[nH]cc[nH+]2)CC1 ZINC000329285949 202267190 /nfs/dbraw/zinc/26/71/90/202267190.db2.gz PBIMJBCIUZMONR-QWHCGFSZSA-N 2 2 264.373 0.877 20 0 CCADLP Cn1ccnc1C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000563136253 291197414 /nfs/dbraw/zinc/19/74/14/291197414.db2.gz VHJYXXYFLAMNRI-GFCCVEGCSA-N 2 2 264.373 0.607 20 0 CCADLP Cn1ccnc1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000563136253 291197416 /nfs/dbraw/zinc/19/74/16/291197416.db2.gz VHJYXXYFLAMNRI-GFCCVEGCSA-N 2 2 264.373 0.607 20 0 CCADLP COC(=O)[C@H]1C[C@H](O)C[N@H+](CCCn2cc[nH+]c2)C1 ZINC000592193223 359782436 /nfs/dbraw/zinc/78/24/36/359782436.db2.gz DOIULZKXXGKJPN-RYUDHWBXSA-N 2 2 267.329 0.129 20 0 CCADLP COC(=O)[C@H]1C[C@H](O)C[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000592193223 359782440 /nfs/dbraw/zinc/78/24/40/359782440.db2.gz DOIULZKXXGKJPN-RYUDHWBXSA-N 2 2 267.329 0.129 20 0 CCADLP COC(=O)[C@@H]1C[C@H](O)C[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000592209843 359798595 /nfs/dbraw/zinc/79/85/95/359798595.db2.gz YEMOWOQTRPVGGD-KGLIPLIRSA-N 2 2 284.400 0.718 20 0 CCADLP COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000592209843 359798600 /nfs/dbraw/zinc/79/86/00/359798600.db2.gz YEMOWOQTRPVGGD-KGLIPLIRSA-N 2 2 284.400 0.718 20 0 CCADLP CC[NH+]1CCN(CC(=O)N[C@@H](C)c2[nH+]ccn2C)CC1 ZINC000620600179 366542486 /nfs/dbraw/zinc/54/24/86/366542486.db2.gz MYRCUJQIIBOIIZ-LBPRGKRZSA-N 2 2 279.388 0.235 20 0 CCADLP O=C1NC(=O)N2CC[N@H+](Cc3c[nH+]c4ccccn34)C[C@H]12 ZINC000329423232 202329779 /nfs/dbraw/zinc/32/97/79/202329779.db2.gz HTLCLUXPERKGKM-LLVKDONJSA-N 2 2 285.307 0.911 20 0 CCADLP O=C1NC(=O)N2CC[N@@H+](Cc3c[nH+]c4ccccn34)C[C@H]12 ZINC000329423232 202329780 /nfs/dbraw/zinc/32/97/80/202329780.db2.gz HTLCLUXPERKGKM-LLVKDONJSA-N 2 2 285.307 0.911 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471179 359849653 /nfs/dbraw/zinc/84/96/53/359849653.db2.gz GTJRIRVZQFRFSF-UHFFFAOYSA-N 2 2 282.388 0.439 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471179 359849657 /nfs/dbraw/zinc/84/96/57/359849657.db2.gz GTJRIRVZQFRFSF-UHFFFAOYSA-N 2 2 282.388 0.439 20 0 CCADLP CCOC(=O)CCCC[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000592475448 359851291 /nfs/dbraw/zinc/85/12/91/359851291.db2.gz KGFLXYNIXSQQMI-NEPJUHHUSA-N 2 2 258.362 0.768 20 0 CCADLP CCOC(=O)CCCC[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000592475448 359851295 /nfs/dbraw/zinc/85/12/95/359851295.db2.gz KGFLXYNIXSQQMI-NEPJUHHUSA-N 2 2 258.362 0.768 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC000563254226 291209785 /nfs/dbraw/zinc/20/97/85/291209785.db2.gz LHWOQLSQSUWSMU-MJBXVCDLSA-N 2 2 294.399 0.748 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC000563254226 291209787 /nfs/dbraw/zinc/20/97/87/291209787.db2.gz LHWOQLSQSUWSMU-MJBXVCDLSA-N 2 2 294.399 0.748 20 0 CCADLP CCc1cnc(N2CC[NH+](C[C@@](C)(O)C[NH2+]C)CC2)s1 ZINC000563271343 291211210 /nfs/dbraw/zinc/21/12/10/291211210.db2.gz QJAXDWCCRNERSA-AWEZNQCLSA-N 2 2 298.456 0.798 20 0 CCADLP CCOC(=O)[C@H]1CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000298234603 200367622 /nfs/dbraw/zinc/36/76/22/200367622.db2.gz BPNTWPAEMAUPLR-GFCCVEGCSA-N 2 2 251.330 0.990 20 0 CCADLP CCOC(=O)[C@H]1CCC[N@H+]1CCc1c[nH+]cn1C ZINC000298234603 200367624 /nfs/dbraw/zinc/36/76/24/200367624.db2.gz BPNTWPAEMAUPLR-GFCCVEGCSA-N 2 2 251.330 0.990 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]([C@@H](C)O)C1 ZINC000563350890 291216067 /nfs/dbraw/zinc/21/60/67/291216067.db2.gz STDBMDVPGYXSHZ-RDBSUJKOSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]([C@@H](C)O)C1 ZINC000563350890 291216070 /nfs/dbraw/zinc/21/60/70/291216070.db2.gz STDBMDVPGYXSHZ-RDBSUJKOSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000563350890 291216072 /nfs/dbraw/zinc/21/60/72/291216072.db2.gz STDBMDVPGYXSHZ-RDBSUJKOSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000563350890 291216073 /nfs/dbraw/zinc/21/60/73/291216073.db2.gz STDBMDVPGYXSHZ-RDBSUJKOSA-N 2 2 274.405 0.018 20 0 CCADLP CCC[C@@](C)(NC(=O)[C@H]([NH3+])CC[NH+](C)C)C(=O)OC ZINC000593902442 360200700 /nfs/dbraw/zinc/20/07/00/360200700.db2.gz TVQLMGZWBASHSN-ZWNOBZJWSA-N 2 2 273.377 0.113 20 0 CCADLP COC(=O)c1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000593903083 360201241 /nfs/dbraw/zinc/20/12/41/360201241.db2.gz NUHUKZKHWYHRBH-GFCCVEGCSA-N 2 2 279.340 0.691 20 0 CCADLP COC(=O)c1ccc(C)c(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000593903185 360201621 /nfs/dbraw/zinc/20/16/21/360201621.db2.gz QZCAHSHQERFUAS-LBPRGKRZSA-N 2 2 293.367 0.999 20 0 CCADLP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000593907273 360204619 /nfs/dbraw/zinc/20/46/19/360204619.db2.gz JYRTVARLEACKAJ-NEPJUHHUSA-N 2 2 294.355 0.198 20 0 CCADLP C[C@H](CNc1[nH+]cnc2[nH]cc(C(N)=O)c21)Cn1cc[nH+]c1 ZINC000621254082 366680445 /nfs/dbraw/zinc/68/04/45/366680445.db2.gz GKYITJXWBDWCTP-SECBINFHSA-N 2 2 299.338 0.953 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000594013954 360234203 /nfs/dbraw/zinc/23/42/03/360234203.db2.gz IGWXDJXDCRCFBP-IJLUTSLNSA-N 2 2 258.362 0.040 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000594013954 360234211 /nfs/dbraw/zinc/23/42/11/360234211.db2.gz IGWXDJXDCRCFBP-IJLUTSLNSA-N 2 2 258.362 0.040 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000594013954 360234215 /nfs/dbraw/zinc/23/42/15/360234215.db2.gz IGWXDJXDCRCFBP-IJLUTSLNSA-N 2 2 258.362 0.040 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000594013954 360234221 /nfs/dbraw/zinc/23/42/21/360234221.db2.gz IGWXDJXDCRCFBP-IJLUTSLNSA-N 2 2 258.362 0.040 20 0 CCADLP COC(=O)[C@H]1C[C@@H](O)C[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000594015297 360235833 /nfs/dbraw/zinc/23/58/33/360235833.db2.gz IGRYFXOROOXWFG-WCQYABFASA-N 2 2 281.356 0.209 20 0 CCADLP COC(=O)[C@H]1C[C@@H](O)C[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000594015297 360235836 /nfs/dbraw/zinc/23/58/36/360235836.db2.gz IGRYFXOROOXWFG-WCQYABFASA-N 2 2 281.356 0.209 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3nc4c(s3)CCC4)CCN2C1=O ZINC000594736403 360370131 /nfs/dbraw/zinc/37/01/31/360370131.db2.gz FXOBCGHJJHVRFT-NXEZZACHSA-N 2 2 292.408 0.376 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3nc4c(s3)CCC4)CCN2C1=O ZINC000594736403 360370132 /nfs/dbraw/zinc/37/01/32/360370132.db2.gz FXOBCGHJJHVRFT-NXEZZACHSA-N 2 2 292.408 0.376 20 0 CCADLP C[C@H](C[NH2+]C[C@@H]1CNc2ccnn2C1)[N@H+](C)C1CC1 ZINC000595145459 360444340 /nfs/dbraw/zinc/44/43/40/360444340.db2.gz KFNBFEJPSYRHSM-VXGBXAGGSA-N 2 2 263.389 0.997 20 0 CCADLP C[C@H](C[NH2+]C[C@@H]1CNc2ccnn2C1)[N@@H+](C)C1CC1 ZINC000595145459 360444343 /nfs/dbraw/zinc/44/43/43/360444343.db2.gz KFNBFEJPSYRHSM-VXGBXAGGSA-N 2 2 263.389 0.997 20 0 CCADLP [NH3+]C[C@H](NC(=O)N[C@H]1CCn2cc[nH+]c2C1)C(F)(F)F ZINC000655924064 412700316 /nfs/dbraw/zinc/70/03/16/412700316.db2.gz FCKMWUPVQRVBBK-YUMQZZPRSA-N 2 2 291.277 0.387 20 0 CCADLP CCSC1(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1 ZINC000595273678 360472457 /nfs/dbraw/zinc/47/24/57/360472457.db2.gz PIKKDDBYTJSSGA-LLVKDONJSA-N 2 2 286.445 0.556 20 0 CCADLP CCSC1(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1 ZINC000595273678 360472463 /nfs/dbraw/zinc/47/24/63/360472463.db2.gz PIKKDDBYTJSSGA-LLVKDONJSA-N 2 2 286.445 0.556 20 0 CCADLP CCN1CC[NH+]([C@H]2CCN(C(=O)N[C@@H](C)C[NH2+]C)C2)CC1 ZINC000595275555 360473079 /nfs/dbraw/zinc/47/30/79/360473079.db2.gz ODGYBKPKPFHXKR-KBPBESRZSA-N 2 2 297.447 0.016 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595506920 360553864 /nfs/dbraw/zinc/55/38/64/360553864.db2.gz IUIQJKSOCZBSMS-DOMZBBRYSA-N 2 2 296.415 0.638 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595506920 360553870 /nfs/dbraw/zinc/55/38/70/360553870.db2.gz IUIQJKSOCZBSMS-DOMZBBRYSA-N 2 2 296.415 0.638 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595506920 360553875 /nfs/dbraw/zinc/55/38/75/360553875.db2.gz IUIQJKSOCZBSMS-DOMZBBRYSA-N 2 2 296.415 0.638 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595506920 360553879 /nfs/dbraw/zinc/55/38/79/360553879.db2.gz IUIQJKSOCZBSMS-DOMZBBRYSA-N 2 2 296.415 0.638 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000563450277 291231075 /nfs/dbraw/zinc/23/10/75/291231075.db2.gz FMDYPXAZHBXHTA-UHFFFAOYSA-N 2 2 265.361 0.941 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000563450277 291231076 /nfs/dbraw/zinc/23/10/76/291231076.db2.gz FMDYPXAZHBXHTA-UHFFFAOYSA-N 2 2 265.361 0.941 20 0 CCADLP COC(=O)[C@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000595892019 360692249 /nfs/dbraw/zinc/69/22/49/360692249.db2.gz JREOSLSNQIMLTL-OAHLLOKOSA-N 2 2 290.363 0.706 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000595892019 360692253 /nfs/dbraw/zinc/69/22/53/360692253.db2.gz JREOSLSNQIMLTL-OAHLLOKOSA-N 2 2 290.363 0.706 20 0 CCADLP [NH3+]C[C@H]1CCN(C(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000178516524 189123251 /nfs/dbraw/zinc/12/32/51/189123251.db2.gz XSOSVMBTMGQNIH-LLVKDONJSA-N 2 2 258.325 0.684 20 0 CCADLP CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000595950648 360728237 /nfs/dbraw/zinc/72/82/37/360728237.db2.gz VOIQUQYZFRKSMU-YWPYICTPSA-N 2 2 299.415 0.504 20 0 CCADLP COC(=O)[C@](C)(CCF)[NH2+]C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000595912003 360701851 /nfs/dbraw/zinc/70/18/51/360701851.db2.gz XOPQRTSTOBPKLE-PWSUYJOCSA-N 2 2 274.336 0.388 20 0 CCADLP CCOCCC1(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1 ZINC000563585446 291239010 /nfs/dbraw/zinc/23/90/10/291239010.db2.gz HEDWKRRGNWIPFK-CYBMUJFWSA-N 2 2 298.431 0.478 20 0 CCADLP CCOCCC1(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1 ZINC000563585446 291239012 /nfs/dbraw/zinc/23/90/12/291239012.db2.gz HEDWKRRGNWIPFK-CYBMUJFWSA-N 2 2 298.431 0.478 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cnc(C)n3C)C2)CC1 ZINC000597003215 360992910 /nfs/dbraw/zinc/99/29/10/360992910.db2.gz NNLQEJIVUOPKMZ-OAHLLOKOSA-N 2 2 291.443 0.940 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnc(C)n3C)C2)CC1 ZINC000597003215 360992918 /nfs/dbraw/zinc/99/29/18/360992918.db2.gz NNLQEJIVUOPKMZ-OAHLLOKOSA-N 2 2 291.443 0.940 20 0 CCADLP Cc1[nH+]cc(C[NH2+]C[C@](C)(O)C(=O)OC(C)(C)C)n1C ZINC000597086950 361006006 /nfs/dbraw/zinc/00/60/06/361006006.db2.gz PIJNXZRVKNPTIT-AWEZNQCLSA-N 2 2 283.372 0.911 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CCS(=O)(=O)NC)C[C@@H]1C ZINC000621261341 366686037 /nfs/dbraw/zinc/68/60/37/366686037.db2.gz MVDBSLCHRKYNPV-NWDGAFQWSA-N 2 2 277.434 0.340 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CCS(=O)(=O)NC)C[C@@H]1C ZINC000621261341 366686038 /nfs/dbraw/zinc/68/60/38/366686038.db2.gz MVDBSLCHRKYNPV-NWDGAFQWSA-N 2 2 277.434 0.340 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CCS(=O)(=O)NC)C[C@@H]1C ZINC000621261341 366686041 /nfs/dbraw/zinc/68/60/41/366686041.db2.gz MVDBSLCHRKYNPV-NWDGAFQWSA-N 2 2 277.434 0.340 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CCS(=O)(=O)NC)C[C@@H]1C ZINC000621261341 366686045 /nfs/dbraw/zinc/68/60/45/366686045.db2.gz MVDBSLCHRKYNPV-NWDGAFQWSA-N 2 2 277.434 0.340 20 0 CCADLP CN(C)c1ccc(CNC(=O)N(C)CCC[NH3+])c[nH+]1 ZINC000563822996 291253513 /nfs/dbraw/zinc/25/35/13/291253513.db2.gz LTYLNTHJYSMPML-UHFFFAOYSA-N 2 2 265.361 0.638 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@H]2CC=CCC2)[C@H](C[NH3+])C1 ZINC000563945467 291259726 /nfs/dbraw/zinc/25/97/26/291259726.db2.gz MRHYUCHKAXPLKU-QWHCGFSZSA-N 2 2 266.389 0.627 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@H]2CC=CCC2)[C@H](C[NH3+])C1 ZINC000563945467 291259728 /nfs/dbraw/zinc/25/97/28/291259728.db2.gz MRHYUCHKAXPLKU-QWHCGFSZSA-N 2 2 266.389 0.627 20 0 CCADLP CCCn1nccc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000631824222 370690304 /nfs/dbraw/zinc/69/03/04/370690304.db2.gz YTBJYVUDBRLTSP-RWMBFGLXSA-N 2 2 291.399 0.901 20 0 CCADLP CCCn1nccc1NC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000631824222 370690311 /nfs/dbraw/zinc/69/03/11/370690311.db2.gz YTBJYVUDBRLTSP-RWMBFGLXSA-N 2 2 291.399 0.901 20 0 CCADLP CN(CCCN1CC[NH+](C)CC1)C(=O)CC(F)(F)C[NH3+] ZINC000564221348 291270957 /nfs/dbraw/zinc/27/09/57/291270957.db2.gz IXWPMCRKJGRGBA-UHFFFAOYSA-N 2 2 292.374 0.066 20 0 CCADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)CC(F)(F)C[NH3+] ZINC000564221348 291270959 /nfs/dbraw/zinc/27/09/59/291270959.db2.gz IXWPMCRKJGRGBA-UHFFFAOYSA-N 2 2 292.374 0.066 20 0 CCADLP C[C@@H](CC(=O)N(C)[C@H]1CC[N@@H+]2CCO[C@H]1C2)n1cc[nH+]c1 ZINC000564335842 291275998 /nfs/dbraw/zinc/27/59/98/291275998.db2.gz SXRAREKBHZBHKQ-IHRRRGAJSA-N 2 2 292.383 0.766 20 0 CCADLP COC[C@@H](O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000301878227 201246422 /nfs/dbraw/zinc/24/64/22/201246422.db2.gz ODOSBIUINPEOCJ-ZDUSSCGKSA-N 2 2 265.357 0.965 20 0 CCADLP CC(C)[C@@H](CNc1cc[nH+]cc1C(N)=O)[NH+]1CCOCC1 ZINC000302018914 201300849 /nfs/dbraw/zinc/30/08/49/201300849.db2.gz GWIKGISKAKOBTI-CQSZACIVSA-N 2 2 292.383 0.949 20 0 CCADLP CC1(C)CN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC[NH2+]1 ZINC000611890879 363802856 /nfs/dbraw/zinc/80/28/56/363802856.db2.gz AVRLCYFXBJBLCS-SNVBAGLBSA-N 2 2 262.357 0.725 20 0 CCADLP CC1(C)CN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC[NH2+]1 ZINC000611890879 363802857 /nfs/dbraw/zinc/80/28/57/363802857.db2.gz AVRLCYFXBJBLCS-SNVBAGLBSA-N 2 2 262.357 0.725 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC000611972684 363820295 /nfs/dbraw/zinc/82/02/95/363820295.db2.gz AADLBBSREIEGRT-WDNDVIMCSA-N 2 2 281.400 0.021 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612980483 364066502 /nfs/dbraw/zinc/06/65/02/364066502.db2.gz RSDZHPQWTAMJGT-LLVKDONJSA-N 2 2 277.372 0.704 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000631861735 370722243 /nfs/dbraw/zinc/72/22/43/370722243.db2.gz HZRCUOANPIHKIE-CABCVRRESA-N 3 2 268.449 0.824 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000631861735 370722247 /nfs/dbraw/zinc/72/22/47/370722247.db2.gz HZRCUOANPIHKIE-CABCVRRESA-N 3 2 268.449 0.824 20 0 CCADLP CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631863843 370724955 /nfs/dbraw/zinc/72/49/55/370724955.db2.gz GNHVULIDCNDRKP-OLZOCXBDSA-N 2 2 285.432 0.726 20 0 CCADLP O=C(C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2)NCC(F)(F)F ZINC000631869041 370728092 /nfs/dbraw/zinc/72/80/92/370728092.db2.gz FHFDOWKATCBGOE-SCZZXKLOSA-N 2 2 265.279 0.397 20 0 CCADLP CC(C)CCOCCNC(=O)C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631869094 370728723 /nfs/dbraw/zinc/72/87/23/370728723.db2.gz SLIXLWZZMIHQGU-ZBFHGGJFSA-N 2 2 297.443 0.897 20 0 CCADLP CC(C)(C)NC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631887283 370737747 /nfs/dbraw/zinc/73/77/47/370737747.db2.gz QCNRFPYWUFFPTP-RYUDHWBXSA-N 2 2 253.390 0.975 20 0 CCADLP CC(C)(C)NC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631887283 370737751 /nfs/dbraw/zinc/73/77/51/370737751.db2.gz QCNRFPYWUFFPTP-RYUDHWBXSA-N 2 2 253.390 0.975 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631888367 370737839 /nfs/dbraw/zinc/73/78/39/370737839.db2.gz VLNLMVBXIRDONS-HUUCEWRRSA-N 2 2 297.443 0.993 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631888367 370737845 /nfs/dbraw/zinc/73/78/45/370737845.db2.gz VLNLMVBXIRDONS-HUUCEWRRSA-N 2 2 297.443 0.993 20 0 CCADLP O=C(NCC[N@@H+]1CCCOCC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000613805742 364381096 /nfs/dbraw/zinc/38/10/96/364381096.db2.gz YVZSNEDTNGXBQK-GFCCVEGCSA-N 2 2 292.383 0.353 20 0 CCADLP O=C(NCC[N@H+]1CCCOCC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000613805742 364381101 /nfs/dbraw/zinc/38/11/01/364381101.db2.gz YVZSNEDTNGXBQK-GFCCVEGCSA-N 2 2 292.383 0.353 20 0 CCADLP O=C(NCC[N@@H+]1CCCOCC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000613805742 364381107 /nfs/dbraw/zinc/38/11/07/364381107.db2.gz YVZSNEDTNGXBQK-GFCCVEGCSA-N 2 2 292.383 0.353 20 0 CCADLP O=C(NCC[N@H+]1CCCOCC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000613805742 364381111 /nfs/dbraw/zinc/38/11/11/364381111.db2.gz YVZSNEDTNGXBQK-GFCCVEGCSA-N 2 2 292.383 0.353 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@@H+]1CCO ZINC000613693904 364346119 /nfs/dbraw/zinc/34/61/19/364346119.db2.gz IFTJYMACRITWJJ-YNEHKIRRSA-N 2 2 292.383 0.049 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@H+]1CCO ZINC000613693904 364346125 /nfs/dbraw/zinc/34/61/25/364346125.db2.gz IFTJYMACRITWJJ-YNEHKIRRSA-N 2 2 292.383 0.049 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621682096 366833645 /nfs/dbraw/zinc/83/36/45/366833645.db2.gz ZMYYYDNETVENSO-IIAWOOMASA-N 2 2 295.427 0.827 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621682096 366833653 /nfs/dbraw/zinc/83/36/53/366833653.db2.gz ZMYYYDNETVENSO-IIAWOOMASA-N 2 2 295.427 0.827 20 0 CCADLP O=C([C@H]1CCc2[nH+]c[nH]c2C1)N1CC[NH+]2CCC1CC2 ZINC000613862010 364416170 /nfs/dbraw/zinc/41/61/70/364416170.db2.gz RXQKFAXUIQHLLE-NSHDSACASA-N 2 2 274.368 0.821 20 0 CCADLP O=C([C@H]1CCc2[nH]c[nH+]c2C1)N1CC[NH+]2CCC1CC2 ZINC000613862010 364416176 /nfs/dbraw/zinc/41/61/76/364416176.db2.gz RXQKFAXUIQHLLE-NSHDSACASA-N 2 2 274.368 0.821 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000621703776 366845269 /nfs/dbraw/zinc/84/52/69/366845269.db2.gz GQJNPMIALNGVFA-JTQLQIEISA-N 2 2 250.346 0.615 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621781120 366864605 /nfs/dbraw/zinc/86/46/05/366864605.db2.gz ZIMHCVTUVMLBFX-OBJOEFQTSA-N 2 2 269.389 0.341 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621781120 366864612 /nfs/dbraw/zinc/86/46/12/366864612.db2.gz ZIMHCVTUVMLBFX-OBJOEFQTSA-N 2 2 269.389 0.341 20 0 CCADLP C[N@H+](CC(=O)N1CCc2ccccc21)C1CC([NH3+])C1 ZINC000335661937 212380161 /nfs/dbraw/zinc/38/01/61/212380161.db2.gz WIZUBZKQUKINRK-UHFFFAOYSA-N 2 2 259.353 0.997 20 0 CCADLP C[N@@H+](CC(=O)N1CCc2ccccc21)C1CC([NH3+])C1 ZINC000335661937 212380163 /nfs/dbraw/zinc/38/01/63/212380163.db2.gz WIZUBZKQUKINRK-UHFFFAOYSA-N 2 2 259.353 0.997 20 0 CCADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](C[C@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000621784203 366866572 /nfs/dbraw/zinc/86/65/72/366866572.db2.gz LIPINOUQVDRMCE-BZPMIXESSA-N 3 2 251.374 0.321 20 0 CCADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](C[C@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000621784203 366866575 /nfs/dbraw/zinc/86/65/75/366866575.db2.gz LIPINOUQVDRMCE-BZPMIXESSA-N 3 2 251.374 0.321 20 0 CCADLP CC(C)[C@@H](C(=O)N[C@H](C)C[NH+]1CCN(C)CC1)[C@H](C)[NH3+] ZINC000564922531 291316313 /nfs/dbraw/zinc/31/63/13/291316313.db2.gz VFEGMVGYIGJDLX-HZSPNIEDSA-N 2 2 284.448 0.358 20 0 CCADLP CC(C)(C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)c1c[nH]c[nH+]1 ZINC000614505425 364635440 /nfs/dbraw/zinc/63/54/40/364635440.db2.gz OCTOUKVGNNBXBS-LBPRGKRZSA-N 2 2 291.399 0.193 20 0 CCADLP CC(C)(C(=O)NC[C@H]1C[N@H+]2CCN1CCC2)c1c[nH]c[nH+]1 ZINC000614505425 364635449 /nfs/dbraw/zinc/63/54/49/364635449.db2.gz OCTOUKVGNNBXBS-LBPRGKRZSA-N 2 2 291.399 0.193 20 0 CCADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)C2([NH3+])CCC2)CC1 ZINC000564937208 291320391 /nfs/dbraw/zinc/32/03/91/291320391.db2.gz XQMZQLHPLHJXQI-UHFFFAOYSA-N 2 2 292.383 0.817 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCCC[NH2+]CC ZINC000564945843 291322935 /nfs/dbraw/zinc/32/29/35/291322935.db2.gz SAPVIZWXBNSXBL-ZDUSSCGKSA-N 2 2 271.405 0.603 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCCC[NH2+]CC ZINC000564945843 291322936 /nfs/dbraw/zinc/32/29/36/291322936.db2.gz SAPVIZWXBNSXBL-ZDUSSCGKSA-N 2 2 271.405 0.603 20 0 CCADLP [NH3+][C@@H](C(=O)NCC1([NH3+])CCCCC1)c1cscn1 ZINC000564946981 291323117 /nfs/dbraw/zinc/32/31/17/291323117.db2.gz DLBQGBWCLPDDRD-SNVBAGLBSA-N 2 2 268.386 0.921 20 0 CCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C1([NH+](C)C)CC1 ZINC000614718196 364709891 /nfs/dbraw/zinc/70/98/91/364709891.db2.gz QLIOPZYJGZYBKO-QWHCGFSZSA-N 2 2 281.400 0.402 20 0 CCADLP C[C@H](CC(=O)N1CC(C[NH+]2CCOCC2)C1)n1cc[nH+]c1 ZINC000615148774 364864469 /nfs/dbraw/zinc/86/44/69/364864469.db2.gz RGKXHRXSDBZBBJ-CYBMUJFWSA-N 2 2 292.383 0.625 20 0 CCADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000564976677 291329625 /nfs/dbraw/zinc/32/96/25/291329625.db2.gz AWJZEMHJHYTPLV-LSDHHAIUSA-N 2 2 282.384 0.076 20 0 CCADLP O=C([C@H]1CCCCC[NH2+]1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000565039711 291339275 /nfs/dbraw/zinc/33/92/75/291339275.db2.gz AZQFIAJGYFMGJU-CYBMUJFWSA-N 2 2 291.399 0.586 20 0 CCADLP CC[NH+](CC)CC(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615549947 365003121 /nfs/dbraw/zinc/00/31/21/365003121.db2.gz UVZYEJHOIKPQCK-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP C[NH+](C)C1(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000615559341 365006471 /nfs/dbraw/zinc/00/64/71/365006471.db2.gz XVASDOUQNAWNGM-CYBMUJFWSA-N 2 2 281.400 0.404 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000615610218 365021732 /nfs/dbraw/zinc/02/17/32/365021732.db2.gz VDNBZBCSYMUWMM-GDBMZVCRSA-N 2 2 295.427 0.651 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000615610218 365021734 /nfs/dbraw/zinc/02/17/34/365021734.db2.gz VDNBZBCSYMUWMM-GDBMZVCRSA-N 2 2 295.427 0.651 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000615610218 365021737 /nfs/dbraw/zinc/02/17/37/365021737.db2.gz VDNBZBCSYMUWMM-GDBMZVCRSA-N 2 2 295.427 0.651 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000615610218 365021740 /nfs/dbraw/zinc/02/17/40/365021740.db2.gz VDNBZBCSYMUWMM-GDBMZVCRSA-N 2 2 295.427 0.651 20 0 CCADLP CC(=O)NCCC[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000565159779 291349348 /nfs/dbraw/zinc/34/93/48/291349348.db2.gz ALZYZJPOVCFJSB-UHFFFAOYSA-N 2 2 271.405 0.338 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCOC2(CCCC2)C1 ZINC000565155273 291348353 /nfs/dbraw/zinc/34/83/53/291348353.db2.gz CXKCQEHVQQXECQ-CQSZACIVSA-N 2 2 286.416 0.571 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCOC2(CCCC2)C1 ZINC000565155273 291348355 /nfs/dbraw/zinc/34/83/55/291348355.db2.gz CXKCQEHVQQXECQ-CQSZACIVSA-N 2 2 286.416 0.571 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCOC2(CCCC2)C1 ZINC000565155273 291348358 /nfs/dbraw/zinc/34/83/58/291348358.db2.gz CXKCQEHVQQXECQ-CQSZACIVSA-N 2 2 286.416 0.571 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCOC2(CCCC2)C1 ZINC000565155273 291348360 /nfs/dbraw/zinc/34/83/60/291348360.db2.gz CXKCQEHVQQXECQ-CQSZACIVSA-N 2 2 286.416 0.571 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621785091 366867922 /nfs/dbraw/zinc/86/79/22/366867922.db2.gz ZFLBBLNMBLKNOV-QZWWFDLISA-N 3 2 289.423 0.731 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621785091 366867925 /nfs/dbraw/zinc/86/79/25/366867925.db2.gz ZFLBBLNMBLKNOV-QZWWFDLISA-N 3 2 289.423 0.731 20 0 CCADLP CC(=O)N[C@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000565170982 291351312 /nfs/dbraw/zinc/35/13/12/291351312.db2.gz GVCYMBZTPNHWBO-LBPRGKRZSA-N 2 2 250.346 0.563 20 0 CCADLP CC(=O)N[C@H]1CC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000565170982 291351313 /nfs/dbraw/zinc/35/13/13/291351313.db2.gz GVCYMBZTPNHWBO-LBPRGKRZSA-N 2 2 250.346 0.563 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)[NH+](C)C ZINC000616489005 365339326 /nfs/dbraw/zinc/33/93/26/365339326.db2.gz HOXQLWFPLFXCFP-UWVGGRQHSA-N 2 2 250.346 0.581 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)[NH+](C)C ZINC000616489005 365339330 /nfs/dbraw/zinc/33/93/30/365339330.db2.gz HOXQLWFPLFXCFP-UWVGGRQHSA-N 2 2 250.346 0.581 20 0 CCADLP CC[C@@H](C(=O)NC[C@H](C)[NH+](C)C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000616489190 365340786 /nfs/dbraw/zinc/34/07/86/365340786.db2.gz RFSVTIPDKCAVGZ-IHRRRGAJSA-N 2 2 285.432 0.942 20 0 CCADLP CC[C@@H](C(=O)NC[C@H](C)[NH+](C)C)[N@H+]1CCO[C@@H](CC)C1 ZINC000616489190 365340789 /nfs/dbraw/zinc/34/07/89/365340789.db2.gz RFSVTIPDKCAVGZ-IHRRRGAJSA-N 2 2 285.432 0.942 20 0 CCADLP C[C@H](CNC(=O)C[NH+]1CC(C)(C)C1)[N@H+](C)C1CC1 ZINC000565180119 291353461 /nfs/dbraw/zinc/35/34/61/291353461.db2.gz GPTMQFDXWINIAS-LLVKDONJSA-N 2 2 253.390 0.927 20 0 CCADLP C[C@H](CNC(=O)C[NH+]1CC(C)(C)C1)[N@@H+](C)C1CC1 ZINC000565180119 291353464 /nfs/dbraw/zinc/35/34/64/291353464.db2.gz GPTMQFDXWINIAS-LLVKDONJSA-N 2 2 253.390 0.927 20 0 CCADLP C[C@H](CNC(=O)[C@@H](C)[NH+]1CC(C)C1)Cn1cc[nH+]c1 ZINC000565189114 291355151 /nfs/dbraw/zinc/35/51/51/291355151.db2.gz LYLIXERSUBUEAF-DGCLKSJQSA-N 2 2 264.373 0.976 20 0 CCADLP C[NH+](C)CCOCCNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621944958 366940487 /nfs/dbraw/zinc/94/04/87/366940487.db2.gz ZRUGGQAFTQKYSN-UHFFFAOYSA-N 2 2 268.361 0.382 20 0 CCADLP CCN(CCC[NH+](C)C)C(=O)[C@@H]([NH3+])c1cscn1 ZINC000566196068 291373234 /nfs/dbraw/zinc/37/32/34/291373234.db2.gz AKXALMBSOVVNGW-NSHDSACASA-N 2 2 270.402 0.943 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000622384849 367141747 /nfs/dbraw/zinc/14/17/47/367141747.db2.gz USBDRLDEFPKSCM-LBPRGKRZSA-N 2 2 280.372 0.276 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCC(CCO)(CCO)CC1 ZINC000640011984 376191677 /nfs/dbraw/zinc/19/16/77/376191677.db2.gz VYPGTTYRJGAEAK-UHFFFAOYSA-N 2 2 281.400 0.810 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)NCC[NH+]1CCC(O)CC1 ZINC000622659426 367270638 /nfs/dbraw/zinc/27/06/38/367270638.db2.gz FGPOSOOHTQTBIO-UHFFFAOYSA-N 2 2 292.383 0.334 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC2(C1)CCCOC2 ZINC000656152574 412753598 /nfs/dbraw/zinc/75/35/98/412753598.db2.gz WIWXWDBIHZYERJ-ZDUSSCGKSA-N 2 2 272.389 0.038 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC2(C1)CCCOC2 ZINC000656152574 412753601 /nfs/dbraw/zinc/75/36/01/412753601.db2.gz WIWXWDBIHZYERJ-ZDUSSCGKSA-N 2 2 272.389 0.038 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCC[NH+](C)C)CC2 ZINC000623370471 367549716 /nfs/dbraw/zinc/54/97/16/367549716.db2.gz MDSAMSNRJKSJCW-NSHDSACASA-N 2 2 250.346 0.432 20 0 CCADLP CC(C)[C@H](C(=O)N[C@@H]1Cc2c[nH+]cn2C1)[NH+](C)C ZINC000623264955 367504300 /nfs/dbraw/zinc/50/43/00/367504300.db2.gz XRMABVLANBYHKZ-ZYHUDNBSSA-N 2 2 250.346 0.510 20 0 CCADLP C[C@]1(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CCC[NH2+]C1 ZINC000423352019 291391090 /nfs/dbraw/zinc/39/10/90/291391090.db2.gz ZZHDMKQNPYXDNI-KFWWJZLASA-N 3 2 267.417 0.733 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000623709995 367624699 /nfs/dbraw/zinc/62/46/99/367624699.db2.gz PTQKEUNKMQAPLO-JSGCOSHPSA-N 2 2 296.415 0.101 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000623709995 367624706 /nfs/dbraw/zinc/62/47/06/367624706.db2.gz PTQKEUNKMQAPLO-JSGCOSHPSA-N 2 2 296.415 0.101 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000623709995 367624710 /nfs/dbraw/zinc/62/47/10/367624710.db2.gz PTQKEUNKMQAPLO-JSGCOSHPSA-N 2 2 296.415 0.101 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000623709995 367624718 /nfs/dbraw/zinc/62/47/18/367624718.db2.gz PTQKEUNKMQAPLO-JSGCOSHPSA-N 2 2 296.415 0.101 20 0 CCADLP C[NH2+]C[C@@](C)(O)CN1CC[NH+](Cc2cc(C)no2)CC1 ZINC000566351360 291396654 /nfs/dbraw/zinc/39/66/54/291396654.db2.gz VSOHUFQEGDSCAA-CQSZACIVSA-N 2 2 282.388 0.071 20 0 CCADLP COCc1ccc(C[NH2+]CC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000623836574 367673214 /nfs/dbraw/zinc/67/32/14/367673214.db2.gz ACDUQLQGBGDSAM-HNNXBMFYSA-N 2 2 264.369 0.989 20 0 CCADLP COCc1ccc(C[NH2+]CC[N@H+]2CC[C@H](O)C2)cc1 ZINC000623836574 367673225 /nfs/dbraw/zinc/67/32/25/367673225.db2.gz ACDUQLQGBGDSAM-HNNXBMFYSA-N 2 2 264.369 0.989 20 0 CCADLP CCOC1CC([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000624086137 367749891 /nfs/dbraw/zinc/74/98/91/367749891.db2.gz XRQQQMUXVDLJLO-BPCQOVAHSA-N 2 2 269.389 0.483 20 0 CCADLP CCOC1CC([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000624086137 367749894 /nfs/dbraw/zinc/74/98/94/367749894.db2.gz XRQQQMUXVDLJLO-BPCQOVAHSA-N 2 2 269.389 0.483 20 0 CCADLP Nc1nc(N)[nH+]c(N2CCC[C@H]([NH+]3CCCC3)CC2)n1 ZINC000623984348 367715074 /nfs/dbraw/zinc/71/50/74/367715074.db2.gz FLHYAEBPMXFPEV-JTQLQIEISA-N 2 2 277.376 0.151 20 0 CCADLP C[C@@H](Cc1cnccn1)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624230989 367798594 /nfs/dbraw/zinc/79/85/94/367798594.db2.gz MTMPXZTUIPEZEX-WCQYABFASA-N 2 2 250.346 0.064 20 0 CCADLP C[C@@H](Cc1cnccn1)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624230989 367798600 /nfs/dbraw/zinc/79/86/00/367798600.db2.gz MTMPXZTUIPEZEX-WCQYABFASA-N 2 2 250.346 0.064 20 0 CCADLP C[N@@H+]1CC[C@H]([NH+]2CCO[C@@H](CC(N)=O)C2)CC1(C)C ZINC000624250724 367806752 /nfs/dbraw/zinc/80/67/52/367806752.db2.gz ASZISQLBLQMBGC-RYUDHWBXSA-N 2 2 269.389 0.435 20 0 CCADLP C[N@H+]1CC[C@H]([NH+]2CCO[C@@H](CC(N)=O)C2)CC1(C)C ZINC000624250724 367806757 /nfs/dbraw/zinc/80/67/57/367806757.db2.gz ASZISQLBLQMBGC-RYUDHWBXSA-N 2 2 269.389 0.435 20 0 CCADLP C[NH+]1CC[C@H]([N@@H+]2CCO[C@@H](CC(N)=O)C2)CC1(C)C ZINC000624250724 367806761 /nfs/dbraw/zinc/80/67/61/367806761.db2.gz ASZISQLBLQMBGC-RYUDHWBXSA-N 2 2 269.389 0.435 20 0 CCADLP C[NH+]1CC[C@H]([N@H+]2CCO[C@@H](CC(N)=O)C2)CC1(C)C ZINC000624250724 367806765 /nfs/dbraw/zinc/80/67/65/367806765.db2.gz ASZISQLBLQMBGC-RYUDHWBXSA-N 2 2 269.389 0.435 20 0 CCADLP C[C@H](Cc1cnccn1)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624339175 367839644 /nfs/dbraw/zinc/83/96/44/367839644.db2.gz MTMPXZTUIPEZEX-YPMHNXCESA-N 2 2 250.346 0.064 20 0 CCADLP C[C@H](Cc1cnccn1)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624339175 367839650 /nfs/dbraw/zinc/83/96/50/367839650.db2.gz MTMPXZTUIPEZEX-YPMHNXCESA-N 2 2 250.346 0.064 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656200098 412763425 /nfs/dbraw/zinc/76/34/25/412763425.db2.gz JMSGGUZGGYACON-SYQHCUMBSA-N 3 2 255.406 0.683 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000624741822 367979938 /nfs/dbraw/zinc/97/99/38/367979938.db2.gz VSUCZDYSIRQVBY-CYBMUJFWSA-N 2 2 295.387 0.245 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000624741822 367979944 /nfs/dbraw/zinc/97/99/44/367979944.db2.gz VSUCZDYSIRQVBY-CYBMUJFWSA-N 2 2 295.387 0.245 20 0 CCADLP COC[C@H](C[NH+]1CCC([NH+]2CCOCC2)CC1)OC ZINC000625544043 368237817 /nfs/dbraw/zinc/23/78/17/368237817.db2.gz FPPNVXIYCBYVOC-AWEZNQCLSA-N 2 2 272.389 0.444 20 0 CCADLP C[N@H+](C[C@@H](O)CN1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000625435823 368199159 /nfs/dbraw/zinc/19/91/59/368199159.db2.gz XCXAMJOLHSUWSV-LLVKDONJSA-N 2 2 250.346 0.223 20 0 CCADLP C[N@@H+](C[C@@H](O)CN1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000625435823 368199163 /nfs/dbraw/zinc/19/91/63/368199163.db2.gz XCXAMJOLHSUWSV-LLVKDONJSA-N 2 2 250.346 0.223 20 0 CCADLP Cc1[nH+]ccn1CCC[NH+]1CCN(c2nccnn2)CC1 ZINC000625642309 368283091 /nfs/dbraw/zinc/28/30/91/368283091.db2.gz NNMNMPBJNMBLCQ-UHFFFAOYSA-N 2 2 287.371 0.589 20 0 CCADLP C[C@H]1C[NH+](CC(=O)N2CC[NH+](C)CC2)C[C@H](C)C1(F)F ZINC000625646433 368286790 /nfs/dbraw/zinc/28/67/90/368286790.db2.gz JMPPWLPCYUDSRM-RYUDHWBXSA-N 2 2 289.370 0.984 20 0 CCADLP Cc1cc(NC(=O)N(C)CCOCC[NH3+])cc[nH+]1 ZINC000625874040 368353959 /nfs/dbraw/zinc/35/39/59/368353959.db2.gz NTLBLFOBFFFJTO-UHFFFAOYSA-N 2 2 252.318 0.251 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)N(C)CCOCC[NH3+] ZINC000625873994 368354300 /nfs/dbraw/zinc/35/43/00/368354300.db2.gz LKAZYGFNRZLPFF-UHFFFAOYSA-N 2 2 252.318 0.251 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)C23CC(C2)C3)CC1 ZINC000625994104 368389452 /nfs/dbraw/zinc/38/94/52/368389452.db2.gz YCVSGRBAJNLIST-UHFFFAOYSA-N 2 2 265.401 0.929 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000335490381 212166565 /nfs/dbraw/zinc/16/65/65/212166565.db2.gz DFDVJDIOKBWQDG-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000335490381 212166567 /nfs/dbraw/zinc/16/65/67/212166567.db2.gz DFDVJDIOKBWQDG-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@@H](C(=O)NC(C)(C)c1[nH]cc[nH+]1)N1CC[NH+](C)CC1 ZINC000574212517 335001366 /nfs/dbraw/zinc/00/13/66/335001366.db2.gz AEOBWZIOEVHJPU-NSHDSACASA-N 2 2 279.388 0.397 20 0 CCADLP C[C@H](NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000626970802 368703441 /nfs/dbraw/zinc/70/34/41/368703441.db2.gz UURIJWASNHIILO-RFGFWPKPSA-N 2 2 298.431 0.535 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000626934852 368685678 /nfs/dbraw/zinc/68/56/78/368685678.db2.gz PCKOCLSQGIMVDB-UPJWGTAASA-N 2 2 284.404 0.147 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000627077602 368774826 /nfs/dbraw/zinc/77/48/26/368774826.db2.gz FDGBYHHTRNOAPL-FRRDWIJNSA-N 2 2 284.404 0.134 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000627077602 368774828 /nfs/dbraw/zinc/77/48/28/368774828.db2.gz FDGBYHHTRNOAPL-FRRDWIJNSA-N 2 2 284.404 0.134 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000627077601 368774839 /nfs/dbraw/zinc/77/48/39/368774839.db2.gz FDGBYHHTRNOAPL-AVGNSLFASA-N 2 2 284.404 0.134 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000627077601 368774841 /nfs/dbraw/zinc/77/48/41/368774841.db2.gz FDGBYHHTRNOAPL-AVGNSLFASA-N 2 2 284.404 0.134 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C[NH2+]1 ZINC000627040624 368750947 /nfs/dbraw/zinc/75/09/47/368750947.db2.gz QQWUPRRDTUZGAN-VWYCJHECSA-N 2 2 277.372 0.707 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C[NH2+]1 ZINC000627040624 368750948 /nfs/dbraw/zinc/75/09/48/368750948.db2.gz QQWUPRRDTUZGAN-VWYCJHECSA-N 2 2 277.372 0.707 20 0 CCADLP CCN(CC[NH3+])C(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000627051855 368757488 /nfs/dbraw/zinc/75/74/88/368757488.db2.gz IFVQDQASSVEHPQ-UWVGGRQHSA-N 2 2 251.334 0.879 20 0 CCADLP C[C@H](CCCC[NH3+])NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627093399 368792548 /nfs/dbraw/zinc/79/25/48/368792548.db2.gz NDJSOVMOXLFBRI-NEPJUHHUSA-N 2 2 272.393 0.134 20 0 CCADLP C[C@H](CCCC[NH3+])NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000627093399 368792549 /nfs/dbraw/zinc/79/25/49/368792549.db2.gz NDJSOVMOXLFBRI-NEPJUHHUSA-N 2 2 272.393 0.134 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@]2(C)C[C@H]3C[C@H]3C2)[C@@H](C[NH3+])C1 ZINC000627222044 368892949 /nfs/dbraw/zinc/89/29/49/368892949.db2.gz JWEYHORDPSBKAO-XFMPKHEZSA-N 2 2 280.416 0.707 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@]2(C)C[C@H]3C[C@H]3C2)[C@@H](C[NH3+])C1 ZINC000627222044 368892956 /nfs/dbraw/zinc/89/29/56/368892956.db2.gz JWEYHORDPSBKAO-XFMPKHEZSA-N 2 2 280.416 0.707 20 0 CCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627243629 368907877 /nfs/dbraw/zinc/90/78/77/368907877.db2.gz PGRCCVRXDCVKGH-IGQOVBAYSA-N 2 2 296.415 0.241 20 0 CCADLP C[NH2+]CCOCCNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000627175560 368848248 /nfs/dbraw/zinc/84/82/48/368848248.db2.gz XEIQQYZOWPNVMI-GFCCVEGCSA-N 2 2 295.387 0.155 20 0 CCADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627183487 368851769 /nfs/dbraw/zinc/85/17/69/368851769.db2.gz LCQIBYVFXJHGCP-CHWSQXEVSA-N 2 2 286.420 0.332 20 0 CCADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627183487 368851778 /nfs/dbraw/zinc/85/17/78/368851778.db2.gz LCQIBYVFXJHGCP-CHWSQXEVSA-N 2 2 286.420 0.332 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCCC23CC3)[C@@H](C[NH3+])C1 ZINC000627253736 368920386 /nfs/dbraw/zinc/92/03/86/368920386.db2.gz GMSWJIIUWJNDOA-STQMWFEESA-N 2 2 280.416 0.851 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCCC23CC3)[C@@H](C[NH3+])C1 ZINC000627253736 368920389 /nfs/dbraw/zinc/92/03/89/368920389.db2.gz GMSWJIIUWJNDOA-STQMWFEESA-N 2 2 280.416 0.851 20 0 CCADLP CCN(CC[NH3+])C(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000627422001 368994577 /nfs/dbraw/zinc/99/45/77/368994577.db2.gz YPXTUWVYJCDWHU-UHFFFAOYSA-N 2 2 278.356 0.122 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3ccc4[nH+]ccn4c3)C[C@H]21 ZINC000627649948 369064842 /nfs/dbraw/zinc/06/48/42/369064842.db2.gz RQBXVESXWXLHAL-IMRBUKKESA-N 2 2 270.336 0.966 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000330675219 203102912 /nfs/dbraw/zinc/10/29/12/203102912.db2.gz IYVIWPQLZVXESN-VHSXEESVSA-N 2 2 250.346 0.896 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000330675219 203102915 /nfs/dbraw/zinc/10/29/15/203102915.db2.gz IYVIWPQLZVXESN-VHSXEESVSA-N 2 2 250.346 0.896 20 0 CCADLP CC[C@@H]1CN(Cc2[nH]cc(C)[nH+]2)CC[N@@H+]1C[C@H](C)O ZINC000628164996 369196119 /nfs/dbraw/zinc/19/61/19/369196119.db2.gz IXHZIMVAPNJDPJ-QWHCGFSZSA-N 2 2 266.389 0.995 20 0 CCADLP CC[C@@H]1CN(Cc2[nH]cc(C)[nH+]2)CC[N@H+]1C[C@H](C)O ZINC000628164996 369196123 /nfs/dbraw/zinc/19/61/23/369196123.db2.gz IXHZIMVAPNJDPJ-QWHCGFSZSA-N 2 2 266.389 0.995 20 0 CCADLP CC(C)(O)C[NH+]1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000330725428 203158311 /nfs/dbraw/zinc/15/83/11/203158311.db2.gz ZNMBYPKDMKEDSL-UHFFFAOYSA-N 2 2 280.372 0.257 20 0 CCADLP Cc1[nH]c(CN(C)C[C@H](O)C[NH+]2CCOCC2)[nH+]c1C ZINC000628181602 369206142 /nfs/dbraw/zinc/20/61/42/369206142.db2.gz JBNBTKDNRHJCFG-ZDUSSCGKSA-N 2 2 282.388 0.151 20 0 CCADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)C(=O)NC(=O)NC1CC1 ZINC000420373567 299402626 /nfs/dbraw/zinc/40/26/26/299402626.db2.gz RIMBQIOCVIGHNF-FYLLDIAZSA-N 2 2 282.388 0.339 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000226747518 189778117 /nfs/dbraw/zinc/77/81/17/189778117.db2.gz HZIIKAPCRNYWFF-JHJVBQTASA-N 2 2 269.389 0.341 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000628648677 369360360 /nfs/dbraw/zinc/36/03/60/369360360.db2.gz OTBAFAQZDLPZTN-GHMZBOCLSA-N 2 2 262.357 0.725 20 0 CCADLP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000628648677 369360366 /nfs/dbraw/zinc/36/03/66/369360366.db2.gz OTBAFAQZDLPZTN-GHMZBOCLSA-N 2 2 262.357 0.725 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000628648677 369360372 /nfs/dbraw/zinc/36/03/72/369360372.db2.gz OTBAFAQZDLPZTN-GHMZBOCLSA-N 2 2 262.357 0.725 20 0 CCADLP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000628648677 369360378 /nfs/dbraw/zinc/36/03/78/369360378.db2.gz OTBAFAQZDLPZTN-GHMZBOCLSA-N 2 2 262.357 0.725 20 0 CCADLP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000628914456 369450289 /nfs/dbraw/zinc/45/02/89/369450289.db2.gz MJZSVTMCABXGQH-CQSZACIVSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000628914456 369450293 /nfs/dbraw/zinc/45/02/93/369450293.db2.gz MJZSVTMCABXGQH-CQSZACIVSA-N 2 2 283.416 0.554 20 0 CCADLP CCN1CCC[N@H+](CCn2cc[nH+]c2C)CC1=O ZINC000276303810 193279893 /nfs/dbraw/zinc/27/98/93/193279893.db2.gz XKQAMKDBPGWKKF-UHFFFAOYSA-N 2 2 250.346 0.746 20 0 CCADLP CCN1CCC[N@@H+](CCn2cc[nH+]c2C)CC1=O ZINC000276303810 193279894 /nfs/dbraw/zinc/27/98/94/193279894.db2.gz XKQAMKDBPGWKKF-UHFFFAOYSA-N 2 2 250.346 0.746 20 0 CCADLP C[C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[N@@H+]1C ZINC000330913315 203385789 /nfs/dbraw/zinc/38/57/89/203385789.db2.gz RLYXUNFSLUHOCC-NWDGAFQWSA-N 2 2 250.346 0.872 20 0 CCADLP C[C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[N@H+]1C ZINC000330913315 203385791 /nfs/dbraw/zinc/38/57/91/203385791.db2.gz RLYXUNFSLUHOCC-NWDGAFQWSA-N 2 2 250.346 0.872 20 0 CCADLP C[NH2+]CCOCC[N@H+](C)Cc1nc(C2CC2)nn1C ZINC000629571096 369716356 /nfs/dbraw/zinc/71/63/56/369716356.db2.gz GZPLDNPSDZXBBX-UHFFFAOYSA-N 2 2 267.377 0.360 20 0 CCADLP C[NH2+]CCOCC[N@@H+](C)Cc1nc(C2CC2)nn1C ZINC000629571096 369716358 /nfs/dbraw/zinc/71/63/58/369716358.db2.gz GZPLDNPSDZXBBX-UHFFFAOYSA-N 2 2 267.377 0.360 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cncc(OC)n2)C1 ZINC000629508347 369685167 /nfs/dbraw/zinc/68/51/67/369685167.db2.gz RQKLWBAITYQGCM-LLVKDONJSA-N 2 2 250.346 0.917 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cncc(OC)n2)C1 ZINC000629508347 369685171 /nfs/dbraw/zinc/68/51/71/369685171.db2.gz RQKLWBAITYQGCM-LLVKDONJSA-N 2 2 250.346 0.917 20 0 CCADLP CN(C)S(=O)(=O)CC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000629509225 369686654 /nfs/dbraw/zinc/68/66/54/369686654.db2.gz JUOPBIJEKXHVMV-UHFFFAOYSA-N 2 2 275.418 0.094 20 0 CCADLP CN(C)S(=O)(=O)CC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000629509225 369686658 /nfs/dbraw/zinc/68/66/58/369686658.db2.gz JUOPBIJEKXHVMV-UHFFFAOYSA-N 2 2 275.418 0.094 20 0 CCADLP Nc1ncccc1C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000629518035 369689433 /nfs/dbraw/zinc/68/94/33/369689433.db2.gz HGABHCGYZPUXHC-ZDUSSCGKSA-N 2 2 289.383 0.060 20 0 CCADLP Nc1ncccc1C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000629518035 369689436 /nfs/dbraw/zinc/68/94/36/369689436.db2.gz HGABHCGYZPUXHC-ZDUSSCGKSA-N 2 2 289.383 0.060 20 0 CCADLP C(C[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)OC1CCOCC1 ZINC000629534281 369694827 /nfs/dbraw/zinc/69/48/27/369694827.db2.gz UDPSTNMFGXSTTA-TZMCWYRMSA-N 2 2 254.374 0.866 20 0 CCADLP C(C[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1)OC1CCOCC1 ZINC000629534281 369694830 /nfs/dbraw/zinc/69/48/30/369694830.db2.gz UDPSTNMFGXSTTA-TZMCWYRMSA-N 2 2 254.374 0.866 20 0 CCADLP C[C@@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)[C@@H]1CCC[NH2+]1 ZINC000629555779 369704711 /nfs/dbraw/zinc/70/47/11/369704711.db2.gz DJVYKCHHRXZALE-WXHSDQCUSA-N 2 2 251.374 0.870 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC000629556139 369704863 /nfs/dbraw/zinc/70/48/63/369704863.db2.gz KUXVLZKIJKGERD-DYEKYZERSA-N 2 2 281.400 0.496 20 0 CCADLP O=C(CC[NH2+]CC[N@H+]1CC[C@@H](O)C1)Nc1cccc(F)c1 ZINC000629606514 369738198 /nfs/dbraw/zinc/73/81/98/369738198.db2.gz ICWGCMGIXSXXEB-CQSZACIVSA-N 2 2 295.358 0.811 20 0 CCADLP O=C(CC[NH2+]CC[N@@H+]1CC[C@@H](O)C1)Nc1cccc(F)c1 ZINC000629606514 369738201 /nfs/dbraw/zinc/73/82/01/369738201.db2.gz ICWGCMGIXSXXEB-CQSZACIVSA-N 2 2 295.358 0.811 20 0 CCADLP C[N@H+](CCOCC[NH3+])Cc1noc2c1CCCC2 ZINC000629579649 369723692 /nfs/dbraw/zinc/72/36/92/369723692.db2.gz VUZJYIRKBVUQKD-UHFFFAOYSA-N 2 2 253.346 0.961 20 0 CCADLP C[N@@H+](CCOCC[NH3+])Cc1noc2c1CCCC2 ZINC000629579649 369723697 /nfs/dbraw/zinc/72/36/97/369723697.db2.gz VUZJYIRKBVUQKD-UHFFFAOYSA-N 2 2 253.346 0.961 20 0 CCADLP CCCCNC(=O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584603 369727868 /nfs/dbraw/zinc/72/78/68/369727868.db2.gz TUPHZZNDGDEBIQ-OKILXGFUSA-N 2 2 253.390 0.834 20 0 CCADLP CCCCNC(=O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584603 369727874 /nfs/dbraw/zinc/72/78/74/369727874.db2.gz TUPHZZNDGDEBIQ-OKILXGFUSA-N 2 2 253.390 0.834 20 0 CCADLP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@H](O)C(F)(F)F ZINC000629583937 369728623 /nfs/dbraw/zinc/72/86/23/369728623.db2.gz LUEJSVBQXLZEBH-DCAQKATOSA-N 2 2 284.322 0.735 20 0 CCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@@H]1CCCS(=O)(=O)C1)C2 ZINC000629592379 369732820 /nfs/dbraw/zinc/73/28/20/369732820.db2.gz BGFZPBLOHXMCSN-MELADBBJSA-N 2 2 286.441 0.743 20 0 CCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@@H]1CCCS(=O)(=O)C1)C2 ZINC000629592379 369732825 /nfs/dbraw/zinc/73/28/25/369732825.db2.gz BGFZPBLOHXMCSN-MELADBBJSA-N 2 2 286.441 0.743 20 0 CCADLP CO[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)[C@](C)(C[NH3+])C1 ZINC000630374265 370076142 /nfs/dbraw/zinc/07/61/42/370076142.db2.gz HRIGZEYOCHTLHE-MFKMUULPSA-N 2 2 266.345 0.225 20 0 CCADLP COCC[N@H+](C)Cc1cn(-c2cccc(C[NH3+])c2)nn1 ZINC000630607749 370205014 /nfs/dbraw/zinc/20/50/14/370205014.db2.gz NOCUFASRCRBLGP-UHFFFAOYSA-N 2 2 275.356 0.804 20 0 CCADLP COCC[N@@H+](C)Cc1cn(-c2cccc(C[NH3+])c2)nn1 ZINC000630607749 370205018 /nfs/dbraw/zinc/20/50/18/370205018.db2.gz NOCUFASRCRBLGP-UHFFFAOYSA-N 2 2 275.356 0.804 20 0 CCADLP Cc1nc(N2CCC[C@@H]([NH2+]C(C)C)C2)nc(N)[nH+]1 ZINC000631087662 370381098 /nfs/dbraw/zinc/38/10/98/370381098.db2.gz ZUJYPSACWTVIRM-SNVBAGLBSA-N 2 2 250.350 0.559 20 0 CCADLP CCC[N@H+](C)C[C@H]1CCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000631136329 370395395 /nfs/dbraw/zinc/39/53/95/370395395.db2.gz TYZCJJNURJICPU-LLVKDONJSA-N 2 2 264.377 0.761 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000631136329 370395397 /nfs/dbraw/zinc/39/53/97/370395397.db2.gz TYZCJJNURJICPU-LLVKDONJSA-N 2 2 264.377 0.761 20 0 CCADLP CCC[N@H+](C)C[C@H]1CCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000631136329 370395399 /nfs/dbraw/zinc/39/53/99/370395399.db2.gz TYZCJJNURJICPU-LLVKDONJSA-N 2 2 264.377 0.761 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000631136329 370395401 /nfs/dbraw/zinc/39/54/01/370395401.db2.gz TYZCJJNURJICPU-LLVKDONJSA-N 2 2 264.377 0.761 20 0 CCADLP Cc1nc(NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)nc(N)[nH+]1 ZINC000631161061 370408150 /nfs/dbraw/zinc/40/81/50/370408150.db2.gz JNMXPSOFIBSZRD-GHMZBOCLSA-N 2 2 294.403 0.316 20 0 CCADLP Cc1nc(N)nc(NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)[nH+]1 ZINC000631161061 370408155 /nfs/dbraw/zinc/40/81/55/370408155.db2.gz JNMXPSOFIBSZRD-GHMZBOCLSA-N 2 2 294.403 0.316 20 0 CCADLP Cc1nc(N(C)CCC[NH+]2CCCC2)nc(N)[nH+]1 ZINC000631264090 370443621 /nfs/dbraw/zinc/44/36/21/370443621.db2.gz YXKNKJWTABLTMT-UHFFFAOYSA-N 2 2 250.350 0.515 20 0 CCADLP Cc1nc(N)nc(N(C)CCC[NH+]2CCCC2)[nH+]1 ZINC000631264090 370443622 /nfs/dbraw/zinc/44/36/22/370443622.db2.gz YXKNKJWTABLTMT-UHFFFAOYSA-N 2 2 250.350 0.515 20 0 CCADLP Cc1nc(N2CCO[C@@H](CCC[NH+](C)C)C2)nc(N)[nH+]1 ZINC000631376209 370506049 /nfs/dbraw/zinc/50/60/49/370506049.db2.gz RUANJYBNRHWDBH-NSHDSACASA-N 2 2 280.376 0.140 20 0 CCADLP Cc1nc(N)nc(N2CCO[C@@H](CCC[NH+](C)C)C2)[nH+]1 ZINC000631376209 370506054 /nfs/dbraw/zinc/50/60/54/370506054.db2.gz RUANJYBNRHWDBH-NSHDSACASA-N 2 2 280.376 0.140 20 0 CCADLP Cc1nc(N2CCO[C@H](CCC[NH+](C)C)C2)nc(N)[nH+]1 ZINC000631376181 370506152 /nfs/dbraw/zinc/50/61/52/370506152.db2.gz RUANJYBNRHWDBH-LLVKDONJSA-N 2 2 280.376 0.140 20 0 CCADLP Cc1nc(N)nc(N2CCO[C@H](CCC[NH+](C)C)C2)[nH+]1 ZINC000631376181 370506156 /nfs/dbraw/zinc/50/61/56/370506156.db2.gz RUANJYBNRHWDBH-LLVKDONJSA-N 2 2 280.376 0.140 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)S(=O)(=O)CCC[NH+](C)C ZINC000632757784 371247656 /nfs/dbraw/zinc/24/76/56/371247656.db2.gz SNVJAPIRESMQBT-UHFFFAOYSA-N 2 2 260.363 0.123 20 0 CCADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633103141 371398946 /nfs/dbraw/zinc/39/89/46/371398946.db2.gz NPNQNWGPACWWPD-NSHDSACASA-N 2 2 295.387 0.200 20 0 CCADLP CCN(C)C(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374323664 284274132 /nfs/dbraw/zinc/27/41/32/284274132.db2.gz ISYWPUKUKYPKPU-GJZGRUSLSA-N 2 2 296.459 0.423 20 0 CCADLP CCN(C)C(=O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374323664 284274133 /nfs/dbraw/zinc/27/41/33/284274133.db2.gz ISYWPUKUKYPKPU-GJZGRUSLSA-N 2 2 296.459 0.423 20 0 CCADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000633042946 371375240 /nfs/dbraw/zinc/37/52/40/371375240.db2.gz WUBKPXBFQFXDGU-UWVGGRQHSA-N 2 2 287.323 0.221 20 0 CCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@H]3CCOC3)c2)CC1 ZINC000634195079 371944232 /nfs/dbraw/zinc/94/42/32/371944232.db2.gz QXQJSUAJKKLNST-LBPRGKRZSA-N 2 2 290.367 0.808 20 0 CCADLP CO[C@@H]1CN(c2nc[nH+]c3c2OCCN3)[C@](C)(C[NH3+])C1 ZINC000634240544 371964590 /nfs/dbraw/zinc/96/45/90/371964590.db2.gz ZUNGHGRLMUWYCB-ZANVPECISA-N 2 2 279.344 0.223 20 0 CCADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)CC2(O)CCOCC2)C1 ZINC000634722292 372169029 /nfs/dbraw/zinc/16/90/29/372169029.db2.gz MWTFYQCGFGBEOZ-ZIAGYGMSSA-N 2 2 286.416 0.353 20 0 CCADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)CC2(O)CCOCC2)C1 ZINC000634722292 372169033 /nfs/dbraw/zinc/16/90/33/372169033.db2.gz MWTFYQCGFGBEOZ-ZIAGYGMSSA-N 2 2 286.416 0.353 20 0 CCADLP CC1(O)CCN(c2cc(N3CCC[C@@H]([NH3+])C3)nc[nH+]2)CC1 ZINC000634807266 372246194 /nfs/dbraw/zinc/24/61/94/372246194.db2.gz DYPNQZLVKKPTAJ-GFCCVEGCSA-N 2 2 291.399 0.755 20 0 CCADLP C[NH2+]C1CCN(c2cc(NC[C@H](C)O)[nH+]cn2)CC1 ZINC000634808251 372249014 /nfs/dbraw/zinc/24/90/14/372249014.db2.gz NGHYYICDAMFFKH-JTQLQIEISA-N 2 2 265.361 0.458 20 0 CCADLP C[NH2+]C1CCN(c2cc(NC[C@H](C)O)nc[nH+]2)CC1 ZINC000634808251 372249018 /nfs/dbraw/zinc/24/90/18/372249018.db2.gz NGHYYICDAMFFKH-JTQLQIEISA-N 2 2 265.361 0.458 20 0 CCADLP [NH3+]CC[C@@H]1CCCN(c2nc[nH+]c3c2OCCN3)C1 ZINC000634808421 372249927 /nfs/dbraw/zinc/24/99/27/372249927.db2.gz RUCHYVDJPYIGCR-JTQLQIEISA-N 2 2 263.345 0.846 20 0 CCADLP [NH3+]CC[C@@H]1CCCN(c2[nH+]cnc3c2OCCN3)C1 ZINC000634808421 372249933 /nfs/dbraw/zinc/24/99/33/372249933.db2.gz RUCHYVDJPYIGCR-JTQLQIEISA-N 2 2 263.345 0.846 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H]2CCNC(=O)CC2)C1 ZINC000634950473 372308600 /nfs/dbraw/zinc/30/86/00/372308600.db2.gz STVMVGSKSSZQSG-KGLIPLIRSA-N 2 2 283.416 0.602 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H]2CCNC(=O)CC2)C1 ZINC000634950473 372308606 /nfs/dbraw/zinc/30/86/06/372308606.db2.gz STVMVGSKSSZQSG-KGLIPLIRSA-N 2 2 283.416 0.602 20 0 CCADLP O=C1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](CCCO)C2)CCN1 ZINC000634982714 372321412 /nfs/dbraw/zinc/32/14/12/372321412.db2.gz SMOZRYWXGXGZIR-QWHCGFSZSA-N 2 2 269.389 0.092 20 0 CCADLP O=C1CC[C@H]([NH2+][C@@H]2CCC[N@H+](CCCO)C2)CCN1 ZINC000634982714 372321417 /nfs/dbraw/zinc/32/14/17/372321417.db2.gz SMOZRYWXGXGZIR-QWHCGFSZSA-N 2 2 269.389 0.092 20 0 CCADLP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1nnc(C2CCOCC2)[nH]1 ZINC000635006375 372339528 /nfs/dbraw/zinc/33/95/28/372339528.db2.gz REDSJLVLBDWPTD-NWDGAFQWSA-N 2 2 279.388 0.916 20 0 CCADLP C[N@H+](CC(=O)NCC[NH+]1CCOCC1)CC(C)(C)C ZINC000635071870 372365760 /nfs/dbraw/zinc/36/57/60/372365760.db2.gz BCCGROZSVZPMFV-UHFFFAOYSA-N 2 2 271.405 0.413 20 0 CCADLP C[N@@H+](CC(=O)NCC[NH+]1CCOCC1)CC(C)(C)C ZINC000635071870 372365763 /nfs/dbraw/zinc/36/57/63/372365763.db2.gz BCCGROZSVZPMFV-UHFFFAOYSA-N 2 2 271.405 0.413 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000635501803 372565387 /nfs/dbraw/zinc/56/53/87/372565387.db2.gz UDLDRGNGJRQJSY-CYBMUJFWSA-N 2 2 294.399 0.843 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000635501803 372565392 /nfs/dbraw/zinc/56/53/92/372565392.db2.gz UDLDRGNGJRQJSY-CYBMUJFWSA-N 2 2 294.399 0.843 20 0 CCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N[C@@H]1CCC[NH2+]C1 ZINC000333127182 205053754 /nfs/dbraw/zinc/05/37/54/205053754.db2.gz BFLXSSLHCUJWKG-CHWSQXEVSA-N 2 2 289.383 0.712 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000635713291 372801442 /nfs/dbraw/zinc/80/14/42/372801442.db2.gz BBJLQYNRMISWDD-STQMWFEESA-N 2 2 294.399 0.842 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000635713291 372801446 /nfs/dbraw/zinc/80/14/46/372801446.db2.gz BBJLQYNRMISWDD-STQMWFEESA-N 2 2 294.399 0.842 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CC[N@@H+]1C1CCCC1)[C@@H]1C[NH+](C)CCO1 ZINC000635712812 372801624 /nfs/dbraw/zinc/80/16/24/372801624.db2.gz UREQARXFQCGQIM-QEJZJMRPSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CC[N@H+]1C1CCCC1)[C@@H]1C[NH+](C)CCO1 ZINC000635712812 372801628 /nfs/dbraw/zinc/80/16/28/372801628.db2.gz UREQARXFQCGQIM-QEJZJMRPSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CC[NH+]1C1CCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000635712812 372801636 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CC1(C)COCC[N@@H+]1CCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000333408335 205296690 /nfs/dbraw/zinc/29/66/90/205296690.db2.gz QYDDLIIPXFGZEV-GFCCVEGCSA-N 2 2 284.404 0.148 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000333408335 205296693 /nfs/dbraw/zinc/29/66/93/205296693.db2.gz QYDDLIIPXFGZEV-GFCCVEGCSA-N 2 2 284.404 0.148 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[NH+]3CCC2CC3)[nH+]1 ZINC000635848545 373000592 /nfs/dbraw/zinc/00/05/92/373000592.db2.gz NFTXUGYHQIMUFJ-UHFFFAOYSA-N 2 2 262.357 0.821 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@@H](CO)C[NH+]2CCCCC2)[nH+]1 ZINC000635914502 373095994 /nfs/dbraw/zinc/09/59/94/373095994.db2.gz KNYRHHIAVNWXQM-CYBMUJFWSA-N 2 2 294.399 0.478 20 0 CCADLP c1c(C[NH+]2CCSCC2)nnn1[C@@H]1CC[NH2+]C1 ZINC000656467367 412806975 /nfs/dbraw/zinc/80/69/75/412806975.db2.gz PWSCHKLJSXPEHA-LLVKDONJSA-N 2 2 253.375 0.361 20 0 CCADLP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000636073268 373329369 /nfs/dbraw/zinc/32/93/69/373329369.db2.gz 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ZINC000636555205 373639769 /nfs/dbraw/zinc/63/97/69/373639769.db2.gz NHBRGGCOFUJBML-QWHCGFSZSA-N 2 2 291.399 0.839 20 0 CCADLP CC[NH+](CC)CCCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636453644 373607904 /nfs/dbraw/zinc/60/79/04/373607904.db2.gz GPZYGKXAOKVTFU-LBPRGKRZSA-N 2 2 279.388 0.839 20 0 CCADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000636596376 373664911 /nfs/dbraw/zinc/66/49/11/373664911.db2.gz NANXPQGJTUBGPI-BNOWGMLFSA-N 2 2 289.383 0.734 20 0 CCADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000636596376 373664915 /nfs/dbraw/zinc/66/49/15/373664915.db2.gz NANXPQGJTUBGPI-BNOWGMLFSA-N 2 2 289.383 0.734 20 0 CCADLP CC[NH+]1CCOC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000636910092 373815599 /nfs/dbraw/zinc/81/55/99/373815599.db2.gz ZLBPFCIPCUPBOW-ILXRZTDVSA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CCOC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000636910092 373815602 /nfs/dbraw/zinc/81/56/02/373815602.db2.gz ZLBPFCIPCUPBOW-ILXRZTDVSA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2COCC[N@@H+]2CC)[C@H](C)C1 ZINC000636910092 373815606 /nfs/dbraw/zinc/81/56/06/373815606.db2.gz ZLBPFCIPCUPBOW-ILXRZTDVSA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2COCC[N@H+]2CC)[C@H](C)C1 ZINC000636910092 373815609 /nfs/dbraw/zinc/81/56/09/373815609.db2.gz ZLBPFCIPCUPBOW-ILXRZTDVSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)N[C@H]2Cc3c[nH+]cn3C2)CC[N@H+]1C ZINC000636843236 373782842 /nfs/dbraw/zinc/78/28/42/373782842.db2.gz DMLBMTXTECFZQT-UTUOFQBUSA-N 2 2 277.372 0.590 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)c2[nH+]ccn21 ZINC000637197286 373996800 /nfs/dbraw/zinc/99/68/00/373996800.db2.gz HVFACGSJEOIQGD-UTUOFQBUSA-N 2 2 293.371 0.255 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)c2[nH+]ccn21 ZINC000637197286 373996807 /nfs/dbraw/zinc/99/68/07/373996807.db2.gz HVFACGSJEOIQGD-UTUOFQBUSA-N 2 2 293.371 0.255 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637259422 374055073 /nfs/dbraw/zinc/05/50/73/374055073.db2.gz DJGZBVJAZNQBGL-RYUDHWBXSA-N 2 2 291.399 0.980 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637259422 374055080 /nfs/dbraw/zinc/05/50/80/374055080.db2.gz DJGZBVJAZNQBGL-RYUDHWBXSA-N 2 2 291.399 0.980 20 0 CCADLP CC[C@H](C)[NH+]1CCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000637441492 374159920 /nfs/dbraw/zinc/15/99/20/374159920.db2.gz NFJCUHWHSRSSPJ-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@H](C)[NH+]1CCN(C(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000637441492 374159927 /nfs/dbraw/zinc/15/99/27/374159927.db2.gz NFJCUHWHSRSSPJ-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2COCC[NH+]2C)CC[N@@H+]1C ZINC000637448057 374174811 /nfs/dbraw/zinc/17/48/11/374174811.db2.gz SPJTVXOGXSYJNQ-MCIONIFRSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2COCC[NH+]2C)CC[N@H+]1C ZINC000637448057 374174816 /nfs/dbraw/zinc/17/48/16/374174816.db2.gz SPJTVXOGXSYJNQ-MCIONIFRSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2COCC[N@@H+]2C)CC[NH+]1C ZINC000637448057 374174821 /nfs/dbraw/zinc/17/48/21/374174821.db2.gz SPJTVXOGXSYJNQ-MCIONIFRSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2COCC[N@H+]2C)CC[NH+]1C ZINC000637448057 374174825 /nfs/dbraw/zinc/17/48/25/374174825.db2.gz SPJTVXOGXSYJNQ-MCIONIFRSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NC[C@@H]1CCC[NH+]1C ZINC000637532513 374216819 /nfs/dbraw/zinc/21/68/19/374216819.db2.gz FBWXJCTVPCVRGC-RDBSUJKOSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NC[C@@H]1CCC[NH+]1C ZINC000637532513 374216825 /nfs/dbraw/zinc/21/68/25/374216825.db2.gz FBWXJCTVPCVRGC-RDBSUJKOSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[NH+]1CCNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000637532513 374216828 /nfs/dbraw/zinc/21/68/28/374216828.db2.gz FBWXJCTVPCVRGC-RDBSUJKOSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[NH+]1CCNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000637532513 374216836 /nfs/dbraw/zinc/21/68/36/374216836.db2.gz FBWXJCTVPCVRGC-RDBSUJKOSA-N 2 2 298.431 0.489 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NC(C)(C)C[NH3+])CC2 ZINC000637831340 374373110 /nfs/dbraw/zinc/37/31/10/374373110.db2.gz WNZCUWQLRXLWMX-SNVBAGLBSA-N 2 2 250.346 0.607 20 0 CCADLP Cc1csc(=O)n1CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000334144418 206068953 /nfs/dbraw/zinc/06/89/53/206068953.db2.gz YCLIBQBTQJANHC-VXGBXAGGSA-N 2 2 267.398 0.760 20 0 CCADLP Cc1csc(=O)n1CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000334144418 206068955 /nfs/dbraw/zinc/06/89/55/206068955.db2.gz YCLIBQBTQJANHC-VXGBXAGGSA-N 2 2 267.398 0.760 20 0 CCADLP Cc1[nH]c2ccc(NC(=O)[C@@H]3OCC[C@@H]3[NH3+])cc2[nH+]1 ZINC000637928911 374481469 /nfs/dbraw/zinc/48/14/69/374481469.db2.gz XFRPZSNVAZWJGG-JOYOIKCWSA-N 2 2 260.297 0.926 20 0 CCADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000638046649 374588036 /nfs/dbraw/zinc/58/80/36/374588036.db2.gz DFINYGJHBKXVCN-AAEUAGOBSA-N 2 2 266.345 0.156 20 0 CCADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000638074898 374629295 /nfs/dbraw/zinc/62/92/95/374629295.db2.gz FGHBRCSKJNKGCQ-JSGCOSHPSA-N 2 2 280.372 0.547 20 0 CCADLP CO[C@H]1C[NH2+][C@](C)(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000638074900 374629544 /nfs/dbraw/zinc/62/95/44/374629544.db2.gz FGHBRCSKJNKGCQ-OCCSQVGLSA-N 2 2 280.372 0.547 20 0 CCADLP [NH3+][C@H]1CC=C(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000638077031 374632396 /nfs/dbraw/zinc/63/23/96/374632396.db2.gz PCOKUXKLUAMNEO-KBPBESRZSA-N 2 2 279.384 0.357 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000638077341 374633032 /nfs/dbraw/zinc/63/30/32/374633032.db2.gz RNUQAJCCSOZLNQ-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP [NH3+]C[C@]1(C(=O)N2CCC(n3cc[nH+]c3)CC2)CCCOC1 ZINC000638090199 374650931 /nfs/dbraw/zinc/65/09/31/374650931.db2.gz ZWONHXOUZDADOL-OAHLLOKOSA-N 2 2 292.383 0.802 20 0 CCADLP C[C@@]1(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C[NH2+]CCO1 ZINC000638090679 374651033 /nfs/dbraw/zinc/65/10/33/374651033.db2.gz JYZXGZJDTPXNPS-AWEZNQCLSA-N 2 2 278.356 0.494 20 0 CCADLP CC(C)CC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000638097241 374660078 /nfs/dbraw/zinc/66/00/78/374660078.db2.gz CMMXFNZHHBWIAY-CYBMUJFWSA-N 2 2 285.432 0.977 20 0 CCADLP CC(C)CC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000638097241 374660085 /nfs/dbraw/zinc/66/00/85/374660085.db2.gz CMMXFNZHHBWIAY-CYBMUJFWSA-N 2 2 285.432 0.977 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000638101500 374665240 /nfs/dbraw/zinc/66/52/40/374665240.db2.gz DSIHELUZPFUEBF-LBPRGKRZSA-N 2 2 295.387 0.152 20 0 CCADLP CC[N@@H+]1CC[C@H](N(C)Cc2c[nH+]c(N)nc2N)C[C@H]1C ZINC000638111081 374677712 /nfs/dbraw/zinc/67/77/12/374677712.db2.gz QOCAAUHXQYFYBG-PWSUYJOCSA-N 2 2 278.404 0.606 20 0 CCADLP CC[N@H+]1CC[C@H](N(C)Cc2c[nH+]c(N)nc2N)C[C@H]1C ZINC000638111081 374677716 /nfs/dbraw/zinc/67/77/16/374677716.db2.gz QOCAAUHXQYFYBG-PWSUYJOCSA-N 2 2 278.404 0.606 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(N)nc2N)C[C@H]1C ZINC000638111081 374677719 /nfs/dbraw/zinc/67/77/19/374677719.db2.gz QOCAAUHXQYFYBG-PWSUYJOCSA-N 2 2 278.404 0.606 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(N)nc2N)C[C@H]1C ZINC000638111081 374677728 /nfs/dbraw/zinc/67/77/28/374677728.db2.gz QOCAAUHXQYFYBG-PWSUYJOCSA-N 2 2 278.404 0.606 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(N)nc2N)C[C@H]1C ZINC000638111081 374677733 /nfs/dbraw/zinc/67/77/33/374677733.db2.gz QOCAAUHXQYFYBG-PWSUYJOCSA-N 2 2 278.404 0.606 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(N)nc2N)C[C@H]1C ZINC000638111081 374677737 /nfs/dbraw/zinc/67/77/37/374677737.db2.gz QOCAAUHXQYFYBG-PWSUYJOCSA-N 2 2 278.404 0.606 20 0 CCADLP COC[C@]1(C(=O)NCc2[nH]cc[nH+]2)CCCC[NH2+]1 ZINC000638115039 374682588 /nfs/dbraw/zinc/68/25/88/374682588.db2.gz NXOIYLUMXQZABT-LBPRGKRZSA-N 2 2 252.318 0.185 20 0 CCADLP O=C(CN1CC[NH2+]CC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000638118299 374684369 /nfs/dbraw/zinc/68/43/69/374684369.db2.gz SQNXZGISGDWTJN-UHFFFAOYSA-N 2 2 277.372 0.021 20 0 CCADLP O=C(CN1CC[NH2+]CC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000638118299 374684374 /nfs/dbraw/zinc/68/43/74/374684374.db2.gz SQNXZGISGDWTJN-UHFFFAOYSA-N 2 2 277.372 0.021 20 0 CCADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2[nH]c[nH+]c2C)C1 ZINC000638135083 374704585 /nfs/dbraw/zinc/70/45/85/374704585.db2.gz ZOALGTSQLUQGKZ-CABZTGNLSA-N 2 2 252.318 0.101 20 0 CCADLP CCc1c[nH]c(CC(=O)NCC2(COC)CC[NH2+]CC2)[nH+]1 ZINC000638223870 374809996 /nfs/dbraw/zinc/80/99/96/374809996.db2.gz AHRCMHPWFAZNKU-UHFFFAOYSA-N 2 2 294.399 0.647 20 0 CCADLP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638223039 374810337 /nfs/dbraw/zinc/81/03/37/374810337.db2.gz RRFFOTJYCDBLEO-STQMWFEESA-N 2 2 291.399 0.377 20 0 CCADLP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC000638223039 374810343 /nfs/dbraw/zinc/81/03/43/374810343.db2.gz RRFFOTJYCDBLEO-STQMWFEESA-N 2 2 291.399 0.377 20 0 CCADLP COC[C@@]1(C(=O)N(C)Cc2[nH+]ccn2C)CCCC[NH2+]1 ZINC000638271900 374873663 /nfs/dbraw/zinc/87/36/63/374873663.db2.gz UQFSDSJJIGEQTA-CQSZACIVSA-N 2 2 280.372 0.537 20 0 CCADLP Cn1cc[nH+]c1CN1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638276948 374880113 /nfs/dbraw/zinc/88/01/13/374880113.db2.gz HTPBJGUPXAPQRH-CYBMUJFWSA-N 2 2 289.383 0.112 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000638278856 374883057 /nfs/dbraw/zinc/88/30/57/374883057.db2.gz LJQKZOUJPBXGOF-UONOGXRCSA-N 2 2 283.416 0.602 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000638278856 374883063 /nfs/dbraw/zinc/88/30/63/374883063.db2.gz LJQKZOUJPBXGOF-UONOGXRCSA-N 2 2 283.416 0.602 20 0 CCADLP CC(C)[NH+](CCNCc1c[nH+]c(N)nc1N)C(C)C ZINC000638279017 374883725 /nfs/dbraw/zinc/88/37/25/374883725.db2.gz ISODIJROOSQRLD-UHFFFAOYSA-N 2 2 266.393 0.510 20 0 CCADLP [NH3+][C@@H]1CCCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000568626474 291608746 /nfs/dbraw/zinc/60/87/46/291608746.db2.gz ILRRFIHFKBAPBW-LLVKDONJSA-N 2 2 271.324 0.831 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N(C)C1CC([NH3+])C1)CC2 ZINC000638254445 374851700 /nfs/dbraw/zinc/85/17/00/374851700.db2.gz ALKARRBMDZYXQL-UNXYVOJBSA-N 2 2 262.357 0.702 20 0 CCADLP CC(C)C[C@@H](C(=O)NC[C@@H]1C[NH2+]CCCO1)n1cc[nH+]c1 ZINC000638263772 374861465 /nfs/dbraw/zinc/86/14/65/374861465.db2.gz CNNVZRYJHJXICK-KBPBESRZSA-N 2 2 294.399 0.965 20 0 CCADLP C[N@H+](CCNCc1c[nH+]c(N)nc1N)C1CCCCC1 ZINC000638437521 375039523 /nfs/dbraw/zinc/03/95/23/375039523.db2.gz NAXJUGOUUBZKCH-UHFFFAOYSA-N 2 2 278.404 0.656 20 0 CCADLP C[N@@H+](CCNCc1c[nH+]c(N)nc1N)C1CCCCC1 ZINC000638437521 375039529 /nfs/dbraw/zinc/03/95/29/375039529.db2.gz NAXJUGOUUBZKCH-UHFFFAOYSA-N 2 2 278.404 0.656 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)CN2CC[NH2+]CC2)CC1(C)C ZINC000638435582 375036019 /nfs/dbraw/zinc/03/60/19/375036019.db2.gz CWQYZXLZQIWSFT-ZDUSSCGKSA-N 2 2 291.399 0.235 20 0 CCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000638488993 375082371 /nfs/dbraw/zinc/08/23/71/375082371.db2.gz JSAXJBZIDUAMOC-SMDDNHRTSA-N 2 2 291.399 0.557 20 0 CCADLP O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000638510682 375101914 /nfs/dbraw/zinc/10/19/14/375101914.db2.gz FADDPPWINUSHHD-CKYFFXLPSA-N 2 2 260.341 0.914 20 0 CCADLP O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000638510682 375101916 /nfs/dbraw/zinc/10/19/16/375101916.db2.gz FADDPPWINUSHHD-CKYFFXLPSA-N 2 2 260.341 0.914 20 0 CCADLP C[C@H]1CC(F)(F)CCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000638630909 375234734 /nfs/dbraw/zinc/23/47/34/375234734.db2.gz OVBJNTXCPHVYHW-UWVGGRQHSA-N 2 2 263.332 0.912 20 0 CCADLP [NH3+]CC1(NC(=O)c2ccc3[nH+]ccn3c2)CCOCC1 ZINC000638633579 375238185 /nfs/dbraw/zinc/23/81/85/375238185.db2.gz AGCBUOFYGUDBPL-UHFFFAOYSA-N 2 2 274.324 0.572 20 0 CCADLP COc1ccccc1[C@@H]([NH3+])C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638608398 375189594 /nfs/dbraw/zinc/18/95/94/375189594.db2.gz AWTLNMMUWBZBEX-SMDDNHRTSA-N 2 2 293.367 0.142 20 0 CCADLP COc1ccccc1[C@@H]([NH3+])C(=O)NC[C@H]1COCC[N@H+]1C ZINC000638608398 375189599 /nfs/dbraw/zinc/18/95/99/375189599.db2.gz AWTLNMMUWBZBEX-SMDDNHRTSA-N 2 2 293.367 0.142 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000638609686 375189778 /nfs/dbraw/zinc/18/97/78/375189778.db2.gz GKWTXWTWRMPVOF-HUUCEWRRSA-N 2 2 291.395 0.913 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000638609686 375189783 /nfs/dbraw/zinc/18/97/83/375189783.db2.gz GKWTXWTWRMPVOF-HUUCEWRRSA-N 2 2 291.395 0.913 20 0 CCADLP C[C@@H](C[NH2+]CC(C)(C)N1CCOCC1)C[NH+]1CCOCC1 ZINC000638675127 375279690 /nfs/dbraw/zinc/27/96/90/375279690.db2.gz SLXNQWHBIAUXKJ-HNNXBMFYSA-N 2 2 299.459 0.655 20 0 CCADLP CC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000638731726 375326011 /nfs/dbraw/zinc/32/60/11/375326011.db2.gz QQFDNECMCFWXPT-KBPBESRZSA-N 2 2 292.383 0.136 20 0 CCADLP CC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000638731726 375326016 /nfs/dbraw/zinc/32/60/16/375326016.db2.gz QQFDNECMCFWXPT-KBPBESRZSA-N 2 2 292.383 0.136 20 0 CCADLP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)[C@@H]1CSC[NH2+]1 ZINC000638669265 375273265 /nfs/dbraw/zinc/27/32/65/375273265.db2.gz QAIBIVVIMPIYAU-NSHDSACASA-N 2 2 279.365 0.770 20 0 CCADLP O=C(c1ccc2[nH+]ccn2c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925670 375460767 /nfs/dbraw/zinc/46/07/67/375460767.db2.gz RWMDDXJBMLFFMM-TXEJJXNPSA-N 2 2 256.309 0.911 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000638878842 375421730 /nfs/dbraw/zinc/42/17/30/375421730.db2.gz FAPAYQXSUFBUGU-CABCVRRESA-N 3 2 292.427 0.342 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000638935456 375471179 /nfs/dbraw/zinc/47/11/79/375471179.db2.gz NFANDJWGTLYTGV-GHMZBOCLSA-N 2 2 258.325 0.825 20 0 CCADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638917533 375454409 /nfs/dbraw/zinc/45/44/09/375454409.db2.gz GNQOMQFLAGLHEJ-LPEHRKFASA-N 2 2 288.273 0.949 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986894 375499151 /nfs/dbraw/zinc/49/91/51/375499151.db2.gz GVMDBPXSEDTTNS-HNNXBMFYSA-N 3 2 291.399 0.947 20 0 CCADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@H]1CCCC[NH2+]1 ZINC000638986861 375500033 /nfs/dbraw/zinc/50/00/33/375500033.db2.gz FPKWIRLEWHAQQP-CYBMUJFWSA-N 3 2 289.383 0.572 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1cccc(F)c1F ZINC000638991204 375504629 /nfs/dbraw/zinc/50/46/29/375504629.db2.gz WVIWQLIUQGEZQX-NSHDSACASA-N 2 2 271.311 0.860 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000639016549 375519590 /nfs/dbraw/zinc/51/95/90/375519590.db2.gz KIEWRYRVJRQPNA-QMMMGPOBSA-N 2 2 258.272 0.613 20 0 CCADLP CCO[C@@H]1C[C@@H]([NH2+]CC[N@H+](CC)CCO)[C@]12CCCO2 ZINC000639053656 375549939 /nfs/dbraw/zinc/54/99/39/375549939.db2.gz LOGISBGIUBUDKK-RBSFLKMASA-N 2 2 286.416 0.617 20 0 CCADLP CCO[C@@H]1C[C@@H]([NH2+]CC[N@@H+](CC)CCO)[C@]12CCCO2 ZINC000639053656 375549945 /nfs/dbraw/zinc/54/99/45/375549945.db2.gz LOGISBGIUBUDKK-RBSFLKMASA-N 2 2 286.416 0.617 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]C[C@H](OC)C1CCOCC1 ZINC000639055479 375551037 /nfs/dbraw/zinc/55/10/37/375551037.db2.gz XNHWTTNQZFGWDY-AWEZNQCLSA-N 2 2 274.405 0.332 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]C[C@H](OC)C1CCOCC1 ZINC000639055479 375551041 /nfs/dbraw/zinc/55/10/41/375551041.db2.gz XNHWTTNQZFGWDY-AWEZNQCLSA-N 2 2 274.405 0.332 20 0 CCADLP C[C@H]1C[C@H](NCC[NH+]2CCCOCC2)CC[N@@H+]1C ZINC000639174564 375619211 /nfs/dbraw/zinc/61/92/11/375619211.db2.gz CFPXKWQOWQGTMV-UONOGXRCSA-N 2 2 255.406 0.781 20 0 CCADLP C[C@H]1C[C@H](NCC[NH+]2CCCOCC2)CC[N@H+]1C ZINC000639174564 375619218 /nfs/dbraw/zinc/61/92/18/375619218.db2.gz CFPXKWQOWQGTMV-UONOGXRCSA-N 2 2 255.406 0.781 20 0 CCADLP C[C@H]1C[C@H](NCC[N@@H+]2CCCOCC2)CC[NH+]1C ZINC000639174564 375619228 /nfs/dbraw/zinc/61/92/28/375619228.db2.gz CFPXKWQOWQGTMV-UONOGXRCSA-N 2 2 255.406 0.781 20 0 CCADLP C[C@H]1C[C@H](NCC[N@H+]2CCCOCC2)CC[NH+]1C ZINC000639174564 375619234 /nfs/dbraw/zinc/61/92/34/375619234.db2.gz CFPXKWQOWQGTMV-UONOGXRCSA-N 2 2 255.406 0.781 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000574638236 335035869 /nfs/dbraw/zinc/03/58/69/335035869.db2.gz ZKGJJEMRWZWLRJ-IUODEOHRSA-N 2 2 296.415 0.685 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000574638236 335035870 /nfs/dbraw/zinc/03/58/70/335035870.db2.gz ZKGJJEMRWZWLRJ-IUODEOHRSA-N 2 2 296.415 0.685 20 0 CCADLP CO[C@@]1(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CCOC1 ZINC000639301557 375710986 /nfs/dbraw/zinc/71/09/86/375710986.db2.gz GZSHMNMFXACPDW-JKSUJKDBSA-N 2 2 298.427 0.979 20 0 CCADLP CO[C@@]1(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CCOC1 ZINC000639301557 375710988 /nfs/dbraw/zinc/71/09/88/375710988.db2.gz GZSHMNMFXACPDW-JKSUJKDBSA-N 2 2 298.427 0.979 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@@H](NCc2c[nH+]c(N)nc2N)C1 ZINC000639304942 375713022 /nfs/dbraw/zinc/71/30/22/375713022.db2.gz GEZSFSNFEMNURT-SNVBAGLBSA-N 2 2 264.377 0.264 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@@H](NCc2c[nH+]c(N)nc2N)C1 ZINC000639304942 375713025 /nfs/dbraw/zinc/71/30/25/375713025.db2.gz GEZSFSNFEMNURT-SNVBAGLBSA-N 2 2 264.377 0.264 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]CCC[C@@H]1CCO1 ZINC000639348400 375748058 /nfs/dbraw/zinc/74/80/58/375748058.db2.gz GNVSIQYFZGXQEG-OLZOCXBDSA-N 2 2 269.389 0.485 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]CCC[C@@H]1CCO1 ZINC000639348400 375748065 /nfs/dbraw/zinc/74/80/65/375748065.db2.gz GNVSIQYFZGXQEG-OLZOCXBDSA-N 2 2 269.389 0.485 20 0 CCADLP C[C@@H]1[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CCS1(=O)=O ZINC000639352008 375752226 /nfs/dbraw/zinc/75/22/26/375752226.db2.gz KFMJLOTYHGGFCH-WHOHXGKFSA-N 2 2 260.403 0.634 20 0 CCADLP C[C@@H]1[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CCS1(=O)=O ZINC000639352008 375752229 /nfs/dbraw/zinc/75/22/29/375752229.db2.gz KFMJLOTYHGGFCH-WHOHXGKFSA-N 2 2 260.403 0.634 20 0 CCADLP C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCc1c[nH+]cn1C ZINC000639474694 375795196 /nfs/dbraw/zinc/79/51/96/375795196.db2.gz QZEPAGJQSNNHFP-WDEREUQCSA-N 2 2 250.346 0.548 20 0 CCADLP C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CCc1c[nH+]cn1C ZINC000639474694 375795199 /nfs/dbraw/zinc/79/51/99/375795199.db2.gz QZEPAGJQSNNHFP-WDEREUQCSA-N 2 2 250.346 0.548 20 0 CCADLP CC(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000639553896 375834896 /nfs/dbraw/zinc/83/48/96/375834896.db2.gz QYQNFKMBQKZAHJ-GXTWGEPZSA-N 2 2 253.390 0.533 20 0 CCADLP CC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000639553896 375834899 /nfs/dbraw/zinc/83/48/99/375834899.db2.gz QYQNFKMBQKZAHJ-GXTWGEPZSA-N 2 2 253.390 0.533 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000639587283 375844792 /nfs/dbraw/zinc/84/47/92/375844792.db2.gz VFEBFYZTRRYMOB-GFCCVEGCSA-N 2 2 277.372 0.499 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000639587283 375844800 /nfs/dbraw/zinc/84/48/00/375844800.db2.gz VFEBFYZTRRYMOB-GFCCVEGCSA-N 2 2 277.372 0.499 20 0 CCADLP O=c1cc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc[nH]1 ZINC000639631148 375874972 /nfs/dbraw/zinc/87/49/72/375874972.db2.gz RTADPDTWMXEGDE-UHFFFAOYSA-N 2 2 259.313 0.833 20 0 CCADLP OCC(F)(F)CN1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000639737797 375964884 /nfs/dbraw/zinc/96/48/84/375964884.db2.gz IPDDPIBJXJKAGN-UHFFFAOYSA-N 2 2 288.342 0.518 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCC(=O)N2CCCCC2)C1 ZINC000639765944 375995087 /nfs/dbraw/zinc/99/50/87/375995087.db2.gz KLRWOVLDLZQAPC-MRXNPFEDSA-N 2 2 297.443 0.778 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCC(=O)N2CCCCC2)C1 ZINC000639765944 375995097 /nfs/dbraw/zinc/99/50/97/375995097.db2.gz KLRWOVLDLZQAPC-MRXNPFEDSA-N 2 2 297.443 0.778 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639766456 375996198 /nfs/dbraw/zinc/99/61/98/375996198.db2.gz OGXWKNYDHUJSGF-CQSZACIVSA-N 3 2 266.389 0.580 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639766456 375996211 /nfs/dbraw/zinc/99/62/11/375996211.db2.gz OGXWKNYDHUJSGF-CQSZACIVSA-N 3 2 266.389 0.580 20 0 CCADLP Cc1[nH+]ccn1CCN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639766456 375996218 /nfs/dbraw/zinc/99/62/18/375996218.db2.gz OGXWKNYDHUJSGF-CQSZACIVSA-N 2 2 266.389 0.580 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000639767229 375997431 /nfs/dbraw/zinc/99/74/31/375997431.db2.gz QGMNWZINNUCBNC-WDEREUQCSA-N 2 2 284.322 0.688 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000639767229 375997438 /nfs/dbraw/zinc/99/74/38/375997438.db2.gz QGMNWZINNUCBNC-WDEREUQCSA-N 2 2 284.322 0.688 20 0 CCADLP CC(C)N1CC[C@H]([N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)C1=O ZINC000639760097 375983048 /nfs/dbraw/zinc/98/30/48/375983048.db2.gz BLZIZTCJTNMNGH-DZGCQCFKSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)N1CC[C@H]([N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)C1=O ZINC000639760097 375983052 /nfs/dbraw/zinc/98/30/52/375983052.db2.gz BLZIZTCJTNMNGH-DZGCQCFKSA-N 2 2 283.416 0.384 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCO[C@H]2CCCCO2)C1 ZINC000639762128 375987263 /nfs/dbraw/zinc/98/72/63/375987263.db2.gz GNSKJUOIXPHGJV-GJZGRUSLSA-N 2 2 286.416 0.918 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCO[C@H]2CCCCO2)C1 ZINC000639762128 375987269 /nfs/dbraw/zinc/98/72/69/375987269.db2.gz GNSKJUOIXPHGJV-GJZGRUSLSA-N 2 2 286.416 0.918 20 0 CCADLP C[C@H]([NH3+])C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000262241382 190051023 /nfs/dbraw/zinc/05/10/23/190051023.db2.gz AFSYECJHGSTIGL-NSHDSACASA-N 2 2 258.325 0.895 20 0 CCADLP C[NH2+][C@H](C(=O)N1CC[NH+](C(C)C)CC1)c1cnn(C)c1 ZINC000262314506 190052762 /nfs/dbraw/zinc/05/27/62/190052762.db2.gz DHQDMBSQIBYNAO-ZDUSSCGKSA-N 2 2 279.388 0.233 20 0 CCADLP CC1([NH+]2CCCC2)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000639982144 376167072 /nfs/dbraw/zinc/16/70/72/376167072.db2.gz HNTWDPBJOLVZME-LBPRGKRZSA-N 2 2 251.374 0.825 20 0 CCADLP CO[C@H]1C[N@H+](CCCn2cc[nH+]c2)[C@@](C)(CO)C1 ZINC000639997856 376174679 /nfs/dbraw/zinc/17/46/79/376174679.db2.gz CGNLDNHMGPNPAW-CHWSQXEVSA-N 2 2 253.346 0.745 20 0 CCADLP CO[C@H]1C[N@@H+](CCCn2cc[nH+]c2)[C@@](C)(CO)C1 ZINC000639997856 376174684 /nfs/dbraw/zinc/17/46/84/376174684.db2.gz CGNLDNHMGPNPAW-CHWSQXEVSA-N 2 2 253.346 0.745 20 0 CCADLP C[N@H+](CCc1cscn1)CC(=O)N1CC[NH+](C)CC1 ZINC000640051594 376215974 /nfs/dbraw/zinc/21/59/74/376215974.db2.gz RKRQWVSKZXNFFM-UHFFFAOYSA-N 2 2 282.413 0.391 20 0 CCADLP C[N@@H+](CCc1cscn1)CC(=O)N1CC[NH+](C)CC1 ZINC000640051594 376215980 /nfs/dbraw/zinc/21/59/80/376215980.db2.gz RKRQWVSKZXNFFM-UHFFFAOYSA-N 2 2 282.413 0.391 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)CC1(C)CCC1 ZINC000640051320 376217135 /nfs/dbraw/zinc/21/71/35/376217135.db2.gz MUDWYDQOEMSFEN-UHFFFAOYSA-N 2 2 253.390 0.882 20 0 CCADLP [NH3+]C1(C(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)CC1 ZINC000262699279 190060807 /nfs/dbraw/zinc/06/08/07/190060807.db2.gz GOBZMTLPUUIWNN-CQSZACIVSA-N 2 2 289.379 0.356 20 0 CCADLP CC[N@H+]1[C@H](C)CN(C(=O)[C@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000640614129 376463466 /nfs/dbraw/zinc/46/34/66/376463466.db2.gz MARFGBFMGVCYOR-FRRDWIJNSA-N 2 2 269.389 0.258 20 0 CCADLP CC[N@@H+]1[C@H](C)CN(C(=O)[C@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000640614129 376463470 /nfs/dbraw/zinc/46/34/70/376463470.db2.gz MARFGBFMGVCYOR-FRRDWIJNSA-N 2 2 269.389 0.258 20 0 CCADLP CC[NH+]1[C@H](C)CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000640614129 376463475 /nfs/dbraw/zinc/46/34/75/376463475.db2.gz MARFGBFMGVCYOR-FRRDWIJNSA-N 2 2 269.389 0.258 20 0 CCADLP CC[NH+]1[C@H](C)CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000640614129 376463476 /nfs/dbraw/zinc/46/34/76/376463476.db2.gz MARFGBFMGVCYOR-FRRDWIJNSA-N 2 2 269.389 0.258 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](CCO)Cc1cccc(F)c1 ZINC000576644953 335230377 /nfs/dbraw/zinc/23/03/77/335230377.db2.gz OEYZVSKEKDDMJP-HNNXBMFYSA-N 2 2 284.375 0.933 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000264033679 190089457 /nfs/dbraw/zinc/08/94/57/190089457.db2.gz STTNZHUQCTYDJY-RYUDHWBXSA-N 2 2 265.361 0.617 20 0 CCADLP [NH3+]CCOCc1cn(Cc2[nH+]ccn2-c2ccccc2)nn1 ZINC000641130040 376801070 /nfs/dbraw/zinc/80/10/70/376801070.db2.gz NOUNHEWSCJRYML-UHFFFAOYSA-N 2 2 298.350 0.987 20 0 CCADLP Cc1[nH]c(Cn2cc(CN3CC[NH+](C)CC3)nn2)[nH+]c1C ZINC000641157233 376820611 /nfs/dbraw/zinc/82/06/11/376820611.db2.gz ZXBMWDBOKKMYHG-UHFFFAOYSA-N 2 2 289.387 0.414 20 0 CCADLP CC(C)[C@@H]1CN(S(=O)(=O)CCn2cc[nH+]c2)CC[NH2+]1 ZINC000641622550 377328235 /nfs/dbraw/zinc/32/82/35/377328235.db2.gz YAOIMNSFIKJCDW-LBPRGKRZSA-N 2 2 286.401 0.143 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[NH+](C2CCC2)CC1 ZINC000264875628 190140859 /nfs/dbraw/zinc/14/08/59/190140859.db2.gz BMXAILLPUCNCEA-UHFFFAOYSA-N 2 2 262.357 0.970 20 0 CCADLP Cc1nc(N(C)C)nc(N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)[nH+]1 ZINC000641649308 377360832 /nfs/dbraw/zinc/36/08/32/377360832.db2.gz YDVFTCOEEBTZBV-WDEREUQCSA-N 2 2 278.404 0.809 20 0 CCADLP Cc1nc(N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)nc(N(C)C)[nH+]1 ZINC000641649308 377360840 /nfs/dbraw/zinc/36/08/40/377360840.db2.gz YDVFTCOEEBTZBV-WDEREUQCSA-N 2 2 278.404 0.809 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNc1ccc2c(n1)C(=O)CC2 ZINC000641657175 377371408 /nfs/dbraw/zinc/37/14/08/377371408.db2.gz QPNRGXBORIAGRY-UHFFFAOYSA-N 2 2 290.411 0.928 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNc1ccc2c(n1)C(=O)CC2 ZINC000641657175 377371414 /nfs/dbraw/zinc/37/14/14/377371414.db2.gz QPNRGXBORIAGRY-UHFFFAOYSA-N 2 2 290.411 0.928 20 0 CCADLP C[NH+]1CCC(CCO)([NH2+]Cc2ccncc2N)CC1 ZINC000641764078 377449764 /nfs/dbraw/zinc/44/97/64/377449764.db2.gz AFLXQNKQLFPELZ-UHFFFAOYSA-N 2 2 264.373 0.600 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CC[NH+](C)C(C)(C)C1 ZINC000641785241 377462094 /nfs/dbraw/zinc/46/20/94/377462094.db2.gz ZJCMNFIMBRIXCM-ZDUSSCGKSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CC[NH+](C)C(C)(C)C1 ZINC000641785241 377462096 /nfs/dbraw/zinc/46/20/96/377462096.db2.gz ZJCMNFIMBRIXCM-ZDUSSCGKSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000641785241 377462103 /nfs/dbraw/zinc/46/21/03/377462103.db2.gz ZJCMNFIMBRIXCM-ZDUSSCGKSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000641785241 377462108 /nfs/dbraw/zinc/46/21/08/377462108.db2.gz ZJCMNFIMBRIXCM-ZDUSSCGKSA-N 2 2 298.431 0.443 20 0 CCADLP c1nc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)co1 ZINC000641786872 377463604 /nfs/dbraw/zinc/46/36/04/377463604.db2.gz ILSPGECTRLTASN-AWEZNQCLSA-N 2 2 294.399 0.561 20 0 CCADLP CCOC[C@H](C)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641786239 377463650 /nfs/dbraw/zinc/46/36/50/377463650.db2.gz JPPZLBXOQXFAAU-HOTGVXAUSA-N 2 2 299.459 0.798 20 0 CCADLP CCCc1nc(C)c(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)o1 ZINC000641796739 377467154 /nfs/dbraw/zinc/46/71/54/377467154.db2.gz IQZUDINYOJLNAZ-UHFFFAOYSA-N 2 2 294.399 0.799 20 0 CCADLP CCCc1nc(C)c(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)o1 ZINC000641796739 377467164 /nfs/dbraw/zinc/46/71/64/377467164.db2.gz IQZUDINYOJLNAZ-UHFFFAOYSA-N 2 2 294.399 0.799 20 0 CCADLP C[C@@H](CNC(=O)CC[NH2+]C1CC1)Cn1cc[nH+]c1 ZINC000514873301 249110233 /nfs/dbraw/zinc/11/02/33/249110233.db2.gz OYRCQMRXQMDBHF-NSHDSACASA-N 2 2 250.346 0.778 20 0 CCADLP O=c1cc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)[nH]c2ccnn21 ZINC000516660272 249175261 /nfs/dbraw/zinc/17/52/61/249175261.db2.gz TVGGWTUGESAOSG-UHFFFAOYSA-N 2 2 299.338 0.068 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1[C@@H](C)CCC[C@H]1CO ZINC000518790963 249261643 /nfs/dbraw/zinc/26/16/43/249261643.db2.gz SENGRHVYKSVJMF-IHRRRGAJSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1[C@@H](C)CCC[C@H]1CO ZINC000518790963 249261647 /nfs/dbraw/zinc/26/16/47/249261647.db2.gz SENGRHVYKSVJMF-IHRRRGAJSA-N 2 2 274.405 0.161 20 0 CCADLP C[NH2+]C[C@@H]1C[C@H](F)CN1c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000643038969 377701274 /nfs/dbraw/zinc/70/12/74/377701274.db2.gz OERFNMIIEOBWNA-UWVGGRQHSA-N 2 2 291.334 0.211 20 0 CCADLP C[C@@H]1CCN(c2cc(N3CCOCC3)nc[nH+]2)C[C@@H]1C[NH3+] ZINC000643052223 377707387 /nfs/dbraw/zinc/70/73/87/377707387.db2.gz FXJQRRWOXYJVDF-OLZOCXBDSA-N 2 2 291.399 0.734 20 0 CCADLP C[C@@H]1CCN(c2cc(N3CCOCC3)[nH+]cn2)C[C@@H]1C[NH3+] ZINC000643052223 377707397 /nfs/dbraw/zinc/70/73/97/377707397.db2.gz FXJQRRWOXYJVDF-OLZOCXBDSA-N 2 2 291.399 0.734 20 0 CCADLP Cc1cc(NC(=O)CC[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)no1 ZINC000643066133 377711495 /nfs/dbraw/zinc/71/14/95/377711495.db2.gz KSWYHCKQZPBHGE-NEPJUHHUSA-N 2 2 278.356 0.417 20 0 CCADLP Cc1cc(NC(=O)CC[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)no1 ZINC000643066133 377711500 /nfs/dbraw/zinc/71/15/00/377711500.db2.gz KSWYHCKQZPBHGE-NEPJUHHUSA-N 2 2 278.356 0.417 20 0 CCADLP CCCN(C)S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000657090374 412885181 /nfs/dbraw/zinc/88/51/81/412885181.db2.gz CUEPTIIFPXYUNS-UHFFFAOYSA-N 2 2 294.465 0.046 20 0 CCADLP CCCN(C)S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000657090374 412885182 /nfs/dbraw/zinc/88/51/82/412885182.db2.gz CUEPTIIFPXYUNS-UHFFFAOYSA-N 2 2 294.465 0.046 20 0 CCADLP CNC(=O)C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000278595891 194062373 /nfs/dbraw/zinc/06/23/73/194062373.db2.gz LOJSRRIHMGJDBS-UHFFFAOYSA-N 2 2 263.341 0.979 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)[C@@H]3C[N@H+](C)CCO3)cn2c1 ZINC000266803631 190281857 /nfs/dbraw/zinc/28/18/57/190281857.db2.gz DGJZYFZBZZEXKA-ZDUSSCGKSA-N 2 2 288.351 0.590 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)cn2c1 ZINC000266803631 190281858 /nfs/dbraw/zinc/28/18/58/190281858.db2.gz DGJZYFZBZZEXKA-ZDUSSCGKSA-N 2 2 288.351 0.590 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CCN2CCCC2=O)CC1 ZINC000266943360 190292341 /nfs/dbraw/zinc/29/23/41/190292341.db2.gz RSMVKFIUVOQGJN-UHFFFAOYSA-N 2 2 277.372 0.165 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267376868 190325312 /nfs/dbraw/zinc/32/53/12/190325312.db2.gz ACYSQCHDEIYQHB-LLVKDONJSA-N 2 2 286.401 0.528 20 0 CCADLP CCS(=O)(=O)NCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267376868 190325313 /nfs/dbraw/zinc/32/53/13/190325313.db2.gz ACYSQCHDEIYQHB-LLVKDONJSA-N 2 2 286.401 0.528 20 0 CCADLP CC(C)[C@H](C(=O)N(C)Cc1[nH+]ccn1C)[NH+](C)C ZINC000268399280 190399635 /nfs/dbraw/zinc/39/96/35/190399635.db2.gz PFCCHDJENYYVDG-GFCCVEGCSA-N 2 2 252.362 0.965 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCCCF)C[C@H](C)O1 ZINC000574750770 335044336 /nfs/dbraw/zinc/04/43/36/335044336.db2.gz CDWOKKRTQLXQKE-XQQFMLRXSA-N 2 2 262.369 0.796 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCCCF)C[C@H](C)O1 ZINC000574750770 335044337 /nfs/dbraw/zinc/04/43/37/335044337.db2.gz CDWOKKRTQLXQKE-XQQFMLRXSA-N 2 2 262.369 0.796 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC000279114262 194289209 /nfs/dbraw/zinc/28/92/09/194289209.db2.gz CKEDCLOTWPRHKE-NEPJUHHUSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC000279114262 194289211 /nfs/dbraw/zinc/28/92/11/194289211.db2.gz CKEDCLOTWPRHKE-NEPJUHHUSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCN1CCOCC1(C)C ZINC000422715643 300003566 /nfs/dbraw/zinc/00/35/66/300003566.db2.gz SLVKOQCWDFUHTG-QWHCGFSZSA-N 2 2 255.406 0.685 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1NCC[N@@H+]1CCOCC1(C)C ZINC000422715643 300003569 /nfs/dbraw/zinc/00/35/69/300003569.db2.gz SLVKOQCWDFUHTG-QWHCGFSZSA-N 2 2 255.406 0.685 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1NCC[N@H+]1CCOCC1(C)C ZINC000422715643 300003571 /nfs/dbraw/zinc/00/35/71/300003571.db2.gz SLVKOQCWDFUHTG-QWHCGFSZSA-N 2 2 255.406 0.685 20 0 CCADLP COC(=O)C1(C[NH+]2CCN(c3[nH+]ccn3C)CC2)CC1 ZINC000279216999 194336928 /nfs/dbraw/zinc/33/69/28/194336928.db2.gz NENQUCQNVBEMFQ-UHFFFAOYSA-N 2 2 278.356 0.495 20 0 CCADLP C[NH2+]CCNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000570500837 291760490 /nfs/dbraw/zinc/76/04/90/291760490.db2.gz RIROJFGAJNDAFV-UHFFFAOYSA-N 2 2 282.413 0.795 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCO1 ZINC000574756858 335045046 /nfs/dbraw/zinc/04/50/46/335045046.db2.gz FNLLNLMDNQYVBD-HZSPNIEDSA-N 2 2 253.390 0.248 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCO1 ZINC000574756858 335045047 /nfs/dbraw/zinc/04/50/47/335045047.db2.gz FNLLNLMDNQYVBD-HZSPNIEDSA-N 2 2 253.390 0.248 20 0 CCADLP C[NH+]1CCN(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000334930191 207310256 /nfs/dbraw/zinc/31/02/56/207310256.db2.gz JZLOIRHFCDQDBT-SNVBAGLBSA-N 2 2 276.331 0.188 20 0 CCADLP CC(C)COC[C@H](O)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657324747 412959903 /nfs/dbraw/zinc/95/99/03/412959903.db2.gz CQYLRZHPPJQSLE-CYBMUJFWSA-N 2 2 267.373 0.952 20 0 CCADLP C[C@H](C[NH2+][C@H](C)C(C)(C)C[NH+](C)C)S(C)(=O)=O ZINC000571515743 291819323 /nfs/dbraw/zinc/81/93/23/291819323.db2.gz AIBLTJBEIKNQAQ-GHMZBOCLSA-N 2 2 264.435 0.985 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C[N@@H+]1C1CC1 ZINC000246943680 285038020 /nfs/dbraw/zinc/03/80/20/285038020.db2.gz NHLIOSDNQLRYEH-NQBHXWOUSA-N 2 2 267.373 0.058 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C[N@H+]1C1CC1 ZINC000246943680 285038022 /nfs/dbraw/zinc/03/80/22/285038022.db2.gz NHLIOSDNQLRYEH-NQBHXWOUSA-N 2 2 267.373 0.058 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C[NH+]1C1CC1 ZINC000246943680 285038024 /nfs/dbraw/zinc/03/80/24/285038024.db2.gz NHLIOSDNQLRYEH-NQBHXWOUSA-N 2 2 267.373 0.058 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C[NH+]1C1CC1 ZINC000246943680 285038026 /nfs/dbraw/zinc/03/80/26/285038026.db2.gz NHLIOSDNQLRYEH-NQBHXWOUSA-N 2 2 267.373 0.058 20 0 CCADLP CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)CO1 ZINC000657362778 412975681 /nfs/dbraw/zinc/97/56/81/412975681.db2.gz IAYVFVUOAWGTOC-BZUAXINKSA-N 2 2 297.443 0.550 20 0 CCADLP COCC[NH2+]CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000423338432 285082020 /nfs/dbraw/zinc/08/20/20/285082020.db2.gz RNTLZWYZTJXRFF-FRRDWIJNSA-N 2 2 254.374 0.770 20 0 CCADLP [NH3+][C@@H](C(=O)N[C@H]1CC[NH2+]C1)c1c(F)cccc1F ZINC000335402049 208375373 /nfs/dbraw/zinc/37/53/73/208375373.db2.gz YGAMGOMNWQMSEY-WRWORJQWSA-N 2 2 255.268 0.443 20 0 CCADLP O=c1nc([C@H]2CCC[N@H+](CCCn3cc[nH+]c3)C2)[nH][nH]1 ZINC000289405184 197330647 /nfs/dbraw/zinc/33/06/47/197330647.db2.gz LJFLSRAEWPBERT-NSHDSACASA-N 2 2 276.344 0.564 20 0 CCADLP O=c1nc([C@H]2CCC[N@@H+](CCCn3cc[nH+]c3)C2)[nH][nH]1 ZINC000289405184 197330649 /nfs/dbraw/zinc/33/06/49/197330649.db2.gz LJFLSRAEWPBERT-NSHDSACASA-N 2 2 276.344 0.564 20 0 CCADLP CCn1cc[nH+]c1CN1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000249525988 285122528 /nfs/dbraw/zinc/12/25/28/285122528.db2.gz YHXSHBQSVZYUII-CHWSQXEVSA-N 2 2 266.389 0.790 20 0 CCADLP CCn1cc[nH+]c1CN1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000249525988 285122530 /nfs/dbraw/zinc/12/25/30/285122530.db2.gz YHXSHBQSVZYUII-CHWSQXEVSA-N 2 2 266.389 0.790 20 0 CCADLP CCCn1nccc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000657436115 412989322 /nfs/dbraw/zinc/98/93/22/412989322.db2.gz ORWWUBRRALUFPY-ZDUSSCGKSA-N 2 2 252.362 0.449 20 0 CCADLP CCCn1nccc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000657436115 412989328 /nfs/dbraw/zinc/98/93/28/412989328.db2.gz ORWWUBRRALUFPY-ZDUSSCGKSA-N 2 2 252.362 0.449 20 0 CCADLP C[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)[C@@H](C(N)=O)C1 ZINC000249583379 285129342 /nfs/dbraw/zinc/12/93/42/285129342.db2.gz SARIBNMAYFTFCY-VXGBXAGGSA-N 2 2 250.346 0.859 20 0 CCADLP C[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)[C@@H](C(N)=O)C1 ZINC000249583379 285129343 /nfs/dbraw/zinc/12/93/43/285129343.db2.gz SARIBNMAYFTFCY-VXGBXAGGSA-N 2 2 250.346 0.859 20 0 CCADLP CCn1c[nH+]cc1CN1CC[N@H+](CCO)[C@H](C)C1 ZINC000417985649 227368681 /nfs/dbraw/zinc/36/86/81/227368681.db2.gz FVKYTQLDJZCYDU-GFCCVEGCSA-N 2 2 252.362 0.401 20 0 CCADLP CCn1c[nH+]cc1CN1CC[N@@H+](CCO)[C@H](C)C1 ZINC000417985649 227368686 /nfs/dbraw/zinc/36/86/86/227368686.db2.gz FVKYTQLDJZCYDU-GFCCVEGCSA-N 2 2 252.362 0.401 20 0 CCADLP COCC(C)(C)[NH+]1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000425347405 533096795 /nfs/dbraw/zinc/09/67/95/533096795.db2.gz HTDYXDPMBCOSOO-UHFFFAOYSA-N 2 2 252.362 0.952 20 0 CCADLP COCC(C)(C)[NH+]1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000425347405 533096801 /nfs/dbraw/zinc/09/68/01/533096801.db2.gz HTDYXDPMBCOSOO-UHFFFAOYSA-N 2 2 252.362 0.952 20 0 CCADLP COCCOC[C@@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425359757 533102503 /nfs/dbraw/zinc/10/25/03/533102503.db2.gz SGDBYOIJOMBTQN-LLVKDONJSA-N 2 2 270.377 0.627 20 0 CCADLP C[C@H]1CN(c2cc(N3CCOCC3)[nH+]cn2)CC[NH2+]1 ZINC000258820145 285152997 /nfs/dbraw/zinc/15/29/97/285152997.db2.gz VXNCYCKYXUDADF-NSHDSACASA-N 2 2 263.345 0.111 20 0 CCADLP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@H+]2CCO)CO1 ZINC000657479661 413001492 /nfs/dbraw/zinc/00/14/92/413001492.db2.gz GAOGMQRREVOCJW-HZSPNIEDSA-N 2 2 256.390 0.990 20 0 CCADLP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)CO1 ZINC000657479661 413001485 /nfs/dbraw/zinc/00/14/85/413001485.db2.gz GAOGMQRREVOCJW-HZSPNIEDSA-N 2 2 256.390 0.990 20 0 CCADLP CO[C@@H]1COCC[C@H]1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657480364 413002955 /nfs/dbraw/zinc/00/29/55/413002955.db2.gz WESKGGCFDLVSOC-WCQYABFASA-N 2 2 265.357 0.970 20 0 CCADLP COCCn1cc(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)cn1 ZINC000337268781 285191911 /nfs/dbraw/zinc/19/19/11/285191911.db2.gz YBCWZRSKMRERRE-YPMHNXCESA-N 2 2 252.362 0.569 20 0 CCADLP COCCn1cc(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)cn1 ZINC000337268781 285191915 /nfs/dbraw/zinc/19/19/15/285191915.db2.gz YBCWZRSKMRERRE-YPMHNXCESA-N 2 2 252.362 0.569 20 0 CCADLP COCCOC[C@H]1CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425340298 533134174 /nfs/dbraw/zinc/13/41/74/533134174.db2.gz VJSQAJIIJJGGTD-ZDUSSCGKSA-N 2 2 296.415 0.971 20 0 CCADLP COCCOC[C@H]1CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425340298 533134180 /nfs/dbraw/zinc/13/41/80/533134180.db2.gz VJSQAJIIJJGGTD-ZDUSSCGKSA-N 2 2 296.415 0.971 20 0 CCADLP CCC[C@H](O)[C@@H](CO)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657490383 413006683 /nfs/dbraw/zinc/00/66/83/413006683.db2.gz IJSOKDDVTAGOEF-NEPJUHHUSA-N 2 2 253.346 0.441 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C[NH2+]C3CC3)CC2)CC1 ZINC000572757519 291902000 /nfs/dbraw/zinc/90/20/00/291902000.db2.gz OIKAKEPKKUIRSP-UHFFFAOYSA-N 3 2 294.443 0.413 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C2CCN(C(N)=O)CC2)C1 ZINC000657564471 413026112 /nfs/dbraw/zinc/02/61/12/413026112.db2.gz ZIASSTLOUUSGCO-LBPRGKRZSA-N 2 2 268.405 0.992 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C2CCN(C(N)=O)CC2)C1 ZINC000657564471 413026119 /nfs/dbraw/zinc/02/61/19/413026119.db2.gz ZIASSTLOUUSGCO-LBPRGKRZSA-N 2 2 268.405 0.992 20 0 CCADLP C[C@@H](C(=O)N1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000424053855 533223765 /nfs/dbraw/zinc/22/37/65/533223765.db2.gz AFWBYYIKWNLBNC-CBBWQLFWSA-N 2 2 296.459 0.454 20 0 CCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C[NH2+]C1CC1 ZINC000575039339 335057866 /nfs/dbraw/zinc/05/78/66/335057866.db2.gz HHRCICPARRRBPA-UHFFFAOYSA-N 2 2 262.357 0.930 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)CCc2c[nH+]cn2C)CCO1 ZINC000525998482 285325627 /nfs/dbraw/zinc/32/56/27/285325627.db2.gz STTLFCKBVGYTII-GFCCVEGCSA-N 2 2 280.372 0.190 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)CCc2c[nH+]cn2C)CCO1 ZINC000525998482 285325633 /nfs/dbraw/zinc/32/56/33/285325633.db2.gz STTLFCKBVGYTII-GFCCVEGCSA-N 2 2 280.372 0.190 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000286084051 388833849 /nfs/dbraw/zinc/83/38/49/388833849.db2.gz AIRLOYWHKSLUGL-WCQYABFASA-N 2 2 292.383 0.582 20 0 CCADLP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000186708164 388848513 /nfs/dbraw/zinc/84/85/13/388848513.db2.gz XVNMMSPLRKIYTQ-GFCCVEGCSA-N 2 2 276.384 0.998 20 0 CCADLP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000186708164 388848516 /nfs/dbraw/zinc/84/85/16/388848516.db2.gz XVNMMSPLRKIYTQ-GFCCVEGCSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@@H](CNC(=O)c1c[nH+]ccc1N)[NH+]1CCOCC1 ZINC000188071114 388912093 /nfs/dbraw/zinc/91/20/93/388912093.db2.gz IHBUMBMZPDRVRK-JTQLQIEISA-N 2 2 264.329 0.114 20 0 CCADLP CC[C@@H]1CN(C(=O)c2coc(C[NH3+])c2)CC[N@@H+]1C[C@@H](C)O ZINC000188187667 388916866 /nfs/dbraw/zinc/91/68/66/388916866.db2.gz FVXWNYIOKMSCEU-DGCLKSJQSA-N 2 2 295.383 0.656 20 0 CCADLP CC[C@@H]1CN(C(=O)c2coc(C[NH3+])c2)CC[N@H+]1C[C@@H](C)O ZINC000188187667 388916867 /nfs/dbraw/zinc/91/68/67/388916867.db2.gz FVXWNYIOKMSCEU-DGCLKSJQSA-N 2 2 295.383 0.656 20 0 CCADLP C[C@@H](c1nnnn1C)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000189775226 388973218 /nfs/dbraw/zinc/97/32/18/388973218.db2.gz XCWMZGUKBSTKIJ-LBPRGKRZSA-N 2 2 295.435 0.229 20 0 CCADLP C[C@@H](c1nnnn1C)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000189775226 388973221 /nfs/dbraw/zinc/97/32/21/388973221.db2.gz XCWMZGUKBSTKIJ-LBPRGKRZSA-N 2 2 295.435 0.229 20 0 CCADLP CC(C)OC(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000075768334 388983873 /nfs/dbraw/zinc/98/38/73/388983873.db2.gz GMLHADFMFUXKLL-AWEZNQCLSA-N 2 2 284.400 0.982 20 0 CCADLP CC(C)OC(=O)CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000075768334 388983874 /nfs/dbraw/zinc/98/38/74/388983874.db2.gz GMLHADFMFUXKLL-AWEZNQCLSA-N 2 2 284.400 0.982 20 0 CCADLP CCOCCNC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000084695257 389005258 /nfs/dbraw/zinc/00/52/58/389005258.db2.gz NOUZXUMNPMIXEI-CYBMUJFWSA-N 2 2 271.405 0.413 20 0 CCADLP CCOCCNC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000084695257 389005259 /nfs/dbraw/zinc/00/52/59/389005259.db2.gz NOUZXUMNPMIXEI-CYBMUJFWSA-N 2 2 271.405 0.413 20 0 CCADLP CCOCCNC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000084695257 389005260 /nfs/dbraw/zinc/00/52/60/389005260.db2.gz NOUZXUMNPMIXEI-CYBMUJFWSA-N 2 2 271.405 0.413 20 0 CCADLP CCOCCNC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000084695257 389005261 /nfs/dbraw/zinc/00/52/61/389005261.db2.gz NOUZXUMNPMIXEI-CYBMUJFWSA-N 2 2 271.405 0.413 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000295405525 389006787 /nfs/dbraw/zinc/00/67/87/389006787.db2.gz SFULQPKFZXWLOZ-LLVKDONJSA-N 2 2 277.328 0.747 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000295405525 389006792 /nfs/dbraw/zinc/00/67/92/389006792.db2.gz SFULQPKFZXWLOZ-LLVKDONJSA-N 2 2 277.328 0.747 20 0 CCADLP C[C@H]1CN(CC[N@H+]2CCOC[C@@H]2C)CC[NH+]1CC(C)(C)O ZINC000192814329 389055168 /nfs/dbraw/zinc/05/51/68/389055168.db2.gz WDKHVYUUZBFEIB-GJZGRUSLSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@H]1CN(CC[N@@H+]2CCOC[C@@H]2C)CC[NH+]1CC(C)(C)O ZINC000192814329 389055172 /nfs/dbraw/zinc/05/51/72/389055172.db2.gz WDKHVYUUZBFEIB-GJZGRUSLSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@H]1COCC[NH+]1CCN1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000192814329 389055175 /nfs/dbraw/zinc/05/51/75/389055175.db2.gz WDKHVYUUZBFEIB-GJZGRUSLSA-N 2 2 299.459 0.484 20 0 CCADLP CC(C)OC[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000337324277 389059318 /nfs/dbraw/zinc/05/93/18/389059318.db2.gz BAJIFGBSYJSYTM-CHWSQXEVSA-N 2 2 271.405 0.729 20 0 CCADLP CC(C)OC[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000337324277 389059319 /nfs/dbraw/zinc/05/93/19/389059319.db2.gz BAJIFGBSYJSYTM-CHWSQXEVSA-N 2 2 271.405 0.729 20 0 CCADLP CC[N@H+](CC(N)=O)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000355344233 389063755 /nfs/dbraw/zinc/06/37/55/389063755.db2.gz QBTDZULNBOGIBQ-UHFFFAOYSA-N 2 2 273.340 0.883 20 0 CCADLP CC[N@@H+](CC(N)=O)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000355344233 389063757 /nfs/dbraw/zinc/06/37/57/389063757.db2.gz QBTDZULNBOGIBQ-UHFFFAOYSA-N 2 2 273.340 0.883 20 0 CCADLP Cc1cc(N2CC[N@H+](CCO)[C@H](C)C2)nc(C)[nH+]1 ZINC000302399977 389070148 /nfs/dbraw/zinc/07/01/48/389070148.db2.gz JUTZKXIPZGQCAL-LLVKDONJSA-N 2 2 250.346 0.596 20 0 CCADLP Cc1cc(N2CC[N@@H+](CCO)[C@H](C)C2)nc(C)[nH+]1 ZINC000302399977 389070150 /nfs/dbraw/zinc/07/01/50/389070150.db2.gz JUTZKXIPZGQCAL-LLVKDONJSA-N 2 2 250.346 0.596 20 0 CCADLP C[C@H]1CN(c2cc(N3CCOCC3)[nH+]cn2)C[C@H](C)[NH+]1C ZINC000302821624 389079344 /nfs/dbraw/zinc/07/93/44/389079344.db2.gz DMWJRMPSYHYRLT-STQMWFEESA-N 2 2 291.399 0.842 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@@H+]1C ZINC000355519062 389088741 /nfs/dbraw/zinc/08/87/41/389088741.db2.gz JFCKDNGLKCGTGC-KBPBESRZSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@H+]1C ZINC000355519062 389088745 /nfs/dbraw/zinc/08/87/45/389088745.db2.gz JFCKDNGLKCGTGC-KBPBESRZSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cc[nH+]c(N)c1 ZINC000298662203 389037681 /nfs/dbraw/zinc/03/76/81/389037681.db2.gz YCHWSYYZJXQMEE-GFCCVEGCSA-N 2 2 278.400 0.941 20 0 CCADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1cc[nH+]c(N)c1 ZINC000298662203 389037684 /nfs/dbraw/zinc/03/76/84/389037684.db2.gz YCHWSYYZJXQMEE-GFCCVEGCSA-N 2 2 278.400 0.941 20 0 CCADLP CC[NH+](CC)CCC[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000338271998 389101877 /nfs/dbraw/zinc/10/18/77/389101877.db2.gz CYIJYHPKOVTJQP-UHFFFAOYSA-N 2 2 291.461 0.719 20 0 CCADLP CCNC(=O)C(C)(C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000312879858 389109262 /nfs/dbraw/zinc/10/92/62/389109262.db2.gz FVPMTJSVXUCHHI-UHFFFAOYSA-N 2 2 267.377 0.490 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)N2CCCCCC2)CCCO1 ZINC000313353989 389113269 /nfs/dbraw/zinc/11/32/69/389113269.db2.gz ZTRQGFDTBANVKO-CYBMUJFWSA-N 2 2 269.389 0.439 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)N2CCCCCC2)CCCO1 ZINC000313353989 389113270 /nfs/dbraw/zinc/11/32/70/389113270.db2.gz ZTRQGFDTBANVKO-CYBMUJFWSA-N 2 2 269.389 0.439 20 0 CCADLP CC[C@H](C(=O)NCC[N@@H+]1CCOC[C@H]1C)[NH+](C)C ZINC000338969677 389119724 /nfs/dbraw/zinc/11/97/24/389119724.db2.gz AXATZBQNHUJDJA-VXGBXAGGSA-N 2 2 257.378 0.164 20 0 CCADLP CC[C@H](C(=O)NCC[N@H+]1CCOC[C@H]1C)[NH+](C)C ZINC000338969677 389119726 /nfs/dbraw/zinc/11/97/26/389119726.db2.gz AXATZBQNHUJDJA-VXGBXAGGSA-N 2 2 257.378 0.164 20 0 CCADLP CC[NH+]1CCN([C@@H](C)CNc2nc(N(C)C)cc[nH+]2)CC1 ZINC000301710150 285332984 /nfs/dbraw/zinc/33/29/84/285332984.db2.gz XJSNRGHENYZVJM-ZDUSSCGKSA-N 2 2 292.431 0.981 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@@H]1C ZINC000356745238 389128103 /nfs/dbraw/zinc/12/81/03/389128103.db2.gz PQGBDUZTVQJBOU-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+]2CCOCC2)[C@@H]1C ZINC000356745238 389128106 /nfs/dbraw/zinc/12/81/06/389128106.db2.gz PQGBDUZTVQJBOU-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+][C@H](C)CN2CCCC2=O)[C@@H](C)C1 ZINC000358013085 389141036 /nfs/dbraw/zinc/14/10/36/389141036.db2.gz IPZXWTFKPXUQKP-XQQFMLRXSA-N 2 2 253.390 0.927 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+][C@H](C)CN2CCCC2=O)[C@@H](C)C1 ZINC000358013085 389141038 /nfs/dbraw/zinc/14/10/38/389141038.db2.gz IPZXWTFKPXUQKP-XQQFMLRXSA-N 2 2 253.390 0.927 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+]CCCS(C)(=O)=O)[C@H](C)C1 ZINC000358036938 389141758 /nfs/dbraw/zinc/14/17/58/389141758.db2.gz LEWSDLCFZUKBEW-NEPJUHHUSA-N 2 2 262.419 0.741 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+]CCCS(C)(=O)=O)[C@H](C)C1 ZINC000358036938 389141759 /nfs/dbraw/zinc/14/17/59/389141759.db2.gz LEWSDLCFZUKBEW-NEPJUHHUSA-N 2 2 262.419 0.741 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C1CC[NH+](C)CC1 ZINC000342277488 389205757 /nfs/dbraw/zinc/20/57/57/389205757.db2.gz DNWCYTYFDXAWBF-HIFRSBDPSA-N 2 2 295.427 0.650 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000129448817 389188024 /nfs/dbraw/zinc/18/80/24/389188024.db2.gz GLZTWNBHIRRPAG-STQMWFEESA-N 2 2 263.341 0.133 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000129448817 389188026 /nfs/dbraw/zinc/18/80/26/389188026.db2.gz GLZTWNBHIRRPAG-STQMWFEESA-N 2 2 263.341 0.133 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+](C)[C@H]2CCSC2)C[C@@H](C)[NH+]1C ZINC000358685548 389157969 /nfs/dbraw/zinc/15/79/69/389157969.db2.gz MDCYEKYCUUHVPS-UPJWGTAASA-N 2 2 285.457 0.975 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)[C@H]2CCSC2)C[C@@H](C)[NH+]1C ZINC000358685548 389157970 /nfs/dbraw/zinc/15/79/70/389157970.db2.gz MDCYEKYCUUHVPS-UPJWGTAASA-N 2 2 285.457 0.975 20 0 CCADLP CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](CCOC)CC1 ZINC000236699965 389171788 /nfs/dbraw/zinc/17/17/88/389171788.db2.gz QYQSGGUPSIMJTP-GFCCVEGCSA-N 2 2 257.378 0.295 20 0 CCADLP COCCC[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000134147690 389242613 /nfs/dbraw/zinc/24/26/13/389242613.db2.gz NYLNUJUSJSZNLP-UHFFFAOYSA-N 2 2 279.388 0.701 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000362906228 389243539 /nfs/dbraw/zinc/24/35/39/389243539.db2.gz WARSQHCDAFJCBP-OUAUKWLOSA-N 2 2 262.357 0.581 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000362906228 389243542 /nfs/dbraw/zinc/24/35/42/389243542.db2.gz WARSQHCDAFJCBP-OUAUKWLOSA-N 2 2 262.357 0.581 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000362906228 389243545 /nfs/dbraw/zinc/24/35/45/389243545.db2.gz WARSQHCDAFJCBP-OUAUKWLOSA-N 2 2 262.357 0.581 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000362906228 389243547 /nfs/dbraw/zinc/24/35/47/389243547.db2.gz WARSQHCDAFJCBP-OUAUKWLOSA-N 2 2 262.357 0.581 20 0 CCADLP CN(C)C(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000135124902 389254176 /nfs/dbraw/zinc/25/41/76/389254176.db2.gz MHHDDOJXVBZWKX-CYBMUJFWSA-N 2 2 280.416 0.959 20 0 CCADLP CN(C)C(=O)N1CCC([NH2+][C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000135124902 389254179 /nfs/dbraw/zinc/25/41/79/389254179.db2.gz MHHDDOJXVBZWKX-CYBMUJFWSA-N 2 2 280.416 0.959 20 0 CCADLP COC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000135525021 389258464 /nfs/dbraw/zinc/25/84/64/389258464.db2.gz XMAINVDYIRLQFW-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP COC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000135525021 389258465 /nfs/dbraw/zinc/25/84/65/389258465.db2.gz XMAINVDYIRLQFW-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]CCN2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000343274416 389261908 /nfs/dbraw/zinc/26/19/08/389261908.db2.gz ASSYQVODNSSFME-ZFWWWQNUSA-N 2 2 282.432 0.080 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]CCN2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000343274416 389261912 /nfs/dbraw/zinc/26/19/12/389261912.db2.gz ASSYQVODNSSFME-ZFWWWQNUSA-N 2 2 282.432 0.080 20 0 CCADLP O=S1(=O)CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000251334909 389262671 /nfs/dbraw/zinc/26/26/71/389262671.db2.gz PNCJINGDYNEIGY-AVGNSLFASA-N 2 2 272.414 0.780 20 0 CCADLP O=S1(=O)CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000251334909 389262675 /nfs/dbraw/zinc/26/26/75/389262675.db2.gz PNCJINGDYNEIGY-AVGNSLFASA-N 2 2 272.414 0.780 20 0 CCADLP CC(=O)NC1CCC([NH2+]C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000133023091 389230200 /nfs/dbraw/zinc/23/02/00/389230200.db2.gz HKYZNRJVEIDQBX-JEYLPNPQSA-N 2 2 297.443 0.992 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000345623793 389310564 /nfs/dbraw/zinc/31/05/64/389310564.db2.gz MMSDRLURHGBROB-KBPBESRZSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000345623793 389310568 /nfs/dbraw/zinc/31/05/68/389310568.db2.gz MMSDRLURHGBROB-KBPBESRZSA-N 2 2 281.400 0.404 20 0 CCADLP COc1c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c(C)nn1C ZINC000158509678 389344140 /nfs/dbraw/zinc/34/41/40/389344140.db2.gz JQOGPAOFLHOTBQ-BXKDBHETSA-N 2 2 252.362 0.906 20 0 CCADLP COc1c(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c(C)nn1C ZINC000158509678 389344143 /nfs/dbraw/zinc/34/41/43/389344143.db2.gz JQOGPAOFLHOTBQ-BXKDBHETSA-N 2 2 252.362 0.906 20 0 CCADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000151367101 389276788 /nfs/dbraw/zinc/27/67/88/389276788.db2.gz FKQGUPCUFOFLGE-ZFWWWQNUSA-N 3 2 269.433 0.763 20 0 CCADLP Cn1cncc1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000331025412 389287332 /nfs/dbraw/zinc/28/73/32/389287332.db2.gz VXRBHXLQDWDODP-UHFFFAOYSA-N 2 2 252.362 0.357 20 0 CCADLP Cn1nccc1[C@@H]1[C@@H]([NH2+]C2CC[NH+](C)CC2)CC(=O)N1C ZINC000345097890 389290144 /nfs/dbraw/zinc/29/01/44/389290144.db2.gz CIHPTUFYNXIHFK-WFASDCNBSA-N 2 2 291.399 0.376 20 0 CCADLP COCc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)o1 ZINC000268778140 389391169 /nfs/dbraw/zinc/39/11/69/389391169.db2.gz HTTBVVCDXBHWTE-CQSZACIVSA-N 2 2 295.383 0.855 20 0 CCADLP COCc1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)o1 ZINC000268778140 389391173 /nfs/dbraw/zinc/39/11/73/389391173.db2.gz HTTBVVCDXBHWTE-CQSZACIVSA-N 2 2 295.383 0.855 20 0 CCADLP CCO[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369276932 389391943 /nfs/dbraw/zinc/39/19/43/389391943.db2.gz JHPDRDTYHSSWTE-CHWSQXEVSA-N 2 2 283.416 0.696 20 0 CCADLP CCO[C@H](C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369276932 389391947 /nfs/dbraw/zinc/39/19/47/389391947.db2.gz JHPDRDTYHSSWTE-CHWSQXEVSA-N 2 2 283.416 0.696 20 0 CCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000422033940 389392466 /nfs/dbraw/zinc/39/24/66/389392466.db2.gz IGGXJAHJVLUSHV-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000422033940 389392470 /nfs/dbraw/zinc/39/24/70/389392470.db2.gz IGGXJAHJVLUSHV-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCCC3)C2)CC1 ZINC000369251154 389393068 /nfs/dbraw/zinc/39/30/68/389393068.db2.gz RGUQOVIFQPHCGS-ZDUSSCGKSA-N 2 2 280.416 0.960 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCCC3)C2)CC1 ZINC000369251154 389393073 /nfs/dbraw/zinc/39/30/73/389393073.db2.gz RGUQOVIFQPHCGS-ZDUSSCGKSA-N 2 2 280.416 0.960 20 0 CCADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cnccn1 ZINC000268859763 389393645 /nfs/dbraw/zinc/39/36/45/389393645.db2.gz RWGDUSGQJSUGKJ-RYUDHWBXSA-N 2 2 250.346 0.584 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCn3cc[nH+]c3C2)CC[N@H+]1C ZINC000332984095 389399962 /nfs/dbraw/zinc/39/99/62/389399962.db2.gz SYSMSEOTBDKHMG-AGIUHOORSA-N 2 2 291.399 0.980 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000269127707 389404129 /nfs/dbraw/zinc/40/41/29/389404129.db2.gz GTHLEVAXDYBJRU-GFCCVEGCSA-N 2 2 271.386 0.701 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000269127707 389404132 /nfs/dbraw/zinc/40/41/32/389404132.db2.gz GTHLEVAXDYBJRU-GFCCVEGCSA-N 2 2 271.386 0.701 20 0 CCADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)NCC3CC3)CC[C@@H]21 ZINC000158568094 389346101 /nfs/dbraw/zinc/34/61/01/389346101.db2.gz AKRPJPZHDYGMFB-KBPBESRZSA-N 2 2 265.401 0.929 20 0 CCADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)NCC3CC3)CC[C@@H]21 ZINC000158568094 389346104 /nfs/dbraw/zinc/34/61/04/389346104.db2.gz AKRPJPZHDYGMFB-KBPBESRZSA-N 2 2 265.401 0.929 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)NCC3CC3)CC[C@@H]21 ZINC000158568094 389346109 /nfs/dbraw/zinc/34/61/09/389346109.db2.gz AKRPJPZHDYGMFB-KBPBESRZSA-N 2 2 265.401 0.929 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)NCC3CC3)CC[C@@H]21 ZINC000158568094 389346112 /nfs/dbraw/zinc/34/61/12/389346112.db2.gz AKRPJPZHDYGMFB-KBPBESRZSA-N 2 2 265.401 0.929 20 0 CCADLP CCCN1C[C@H](C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)CC1=O ZINC000421356320 389360361 /nfs/dbraw/zinc/36/03/61/389360361.db2.gz WXLWWBAMXQLCFZ-AGIUHOORSA-N 2 2 253.390 0.785 20 0 CCADLP CCCN1C[C@H](C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CC1=O ZINC000421356320 389360366 /nfs/dbraw/zinc/36/03/66/389360366.db2.gz WXLWWBAMXQLCFZ-AGIUHOORSA-N 2 2 253.390 0.785 20 0 CCADLP [NH3+]CC1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000422731668 389461554 /nfs/dbraw/zinc/46/15/54/389461554.db2.gz NYCMLHVYCBWZGT-OAHLLOKOSA-N 2 2 295.427 0.685 20 0 CCADLP [NH3+]CC1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000422731668 389461557 /nfs/dbraw/zinc/46/15/57/389461557.db2.gz NYCMLHVYCBWZGT-OAHLLOKOSA-N 2 2 295.427 0.685 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@@H](C)[N@H+](C)C1CC1 ZINC000422744377 389465245 /nfs/dbraw/zinc/46/52/45/389465245.db2.gz SQJHEDLRTVHIIU-KGYLQXTDSA-N 2 2 269.389 0.352 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000422744377 389465248 /nfs/dbraw/zinc/46/52/48/389465248.db2.gz SQJHEDLRTVHIIU-KGYLQXTDSA-N 2 2 269.389 0.352 20 0 CCADLP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422744784 389465653 /nfs/dbraw/zinc/46/56/53/389465653.db2.gz UEKUFHROBQBROZ-KKUMJFAQSA-N 3 2 268.449 0.743 20 0 CCADLP C[C@@H]1COCC[NH+](CC(O)C[N@H+]2CCOC[C@@H](C)C2)C1 ZINC000373171817 389465836 /nfs/dbraw/zinc/46/58/36/389465836.db2.gz CFZQJOKTZZPHKS-KBPBESRZSA-N 2 2 286.416 0.284 20 0 CCADLP C[C@@H]1COCC[NH+](CC(O)C[N@@H+]2CCOC[C@@H](C)C2)C1 ZINC000373171817 389465840 /nfs/dbraw/zinc/46/58/40/389465840.db2.gz CFZQJOKTZZPHKS-KBPBESRZSA-N 2 2 286.416 0.284 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1NCC[NH+](CC)CC ZINC000422748771 389466920 /nfs/dbraw/zinc/46/69/20/389466920.db2.gz WARCJOGPQDMFLH-RYUDHWBXSA-N 2 2 257.378 0.211 20 0 CCADLP CCOC(=O)C1([C@H](C)[NH2+]C[C@H](C)[NH+](C)C)CC[NH2+]CC1 ZINC000422747430 389466975 /nfs/dbraw/zinc/46/69/75/389466975.db2.gz YQFKUGHXQVASCA-STQMWFEESA-N 3 2 285.432 0.848 20 0 CCADLP [NH3+][C@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000422765756 389469767 /nfs/dbraw/zinc/46/97/67/389469767.db2.gz LBXOWVVMUXBVHZ-AAEUAGOBSA-N 2 2 267.373 0.189 20 0 CCADLP [NH3+][C@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000422765756 389469768 /nfs/dbraw/zinc/46/97/68/389469768.db2.gz LBXOWVVMUXBVHZ-AAEUAGOBSA-N 2 2 267.373 0.189 20 0 CCADLP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422816867 389481563 /nfs/dbraw/zinc/48/15/63/389481563.db2.gz GHBNJLKQCDGYKO-ZFWWWQNUSA-N 3 2 268.449 0.743 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC1CC[NH+](CC(C)C)CC1 ZINC000422820490 389481855 /nfs/dbraw/zinc/48/18/55/389481855.db2.gz QXTDVVTWSDNDQY-HUUCEWRRSA-N 2 2 297.443 0.990 20 0 CCADLP COC[C@@H](CCC[NH3+])[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000422824794 389484055 /nfs/dbraw/zinc/48/40/55/389484055.db2.gz OLLZWQNQVBASMZ-CHWSQXEVSA-N 3 2 275.462 0.767 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(c2cc(NC3CC3)[nH+]cn2)[C@H](C)C1 ZINC000413253436 389485343 /nfs/dbraw/zinc/48/53/43/389485343.db2.gz UXPQZWFOCSERTF-VXGBXAGGSA-N 2 2 291.399 0.942 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(c2cc(NC3CC3)[nH+]cn2)[C@H](C)C1 ZINC000413253436 389485346 /nfs/dbraw/zinc/48/53/46/389485346.db2.gz UXPQZWFOCSERTF-VXGBXAGGSA-N 2 2 291.399 0.942 20 0 CCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC1([NH3+])CCC1 ZINC000333673173 389439845 /nfs/dbraw/zinc/43/98/45/389439845.db2.gz NLRHLARBPDMZOA-STQMWFEESA-N 2 2 296.415 0.372 20 0 CCADLP C[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000333718755 389441707 /nfs/dbraw/zinc/44/17/07/389441707.db2.gz HRRDKZOVGNUBBQ-MELADBBJSA-N 2 2 296.415 0.243 20 0 CCADLP C[N@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000333718755 389441713 /nfs/dbraw/zinc/44/17/13/389441713.db2.gz HRRDKZOVGNUBBQ-MELADBBJSA-N 2 2 296.415 0.243 20 0 CCADLP C[NH+]1CCC[C@H]1CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000333718755 389441718 /nfs/dbraw/zinc/44/17/18/389441718.db2.gz HRRDKZOVGNUBBQ-MELADBBJSA-N 2 2 296.415 0.243 20 0 CCADLP C[NH+]1CCC[C@H]1CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000333718755 389441723 /nfs/dbraw/zinc/44/17/23/389441723.db2.gz HRRDKZOVGNUBBQ-MELADBBJSA-N 2 2 296.415 0.243 20 0 CCADLP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000349877298 389450715 /nfs/dbraw/zinc/45/07/15/389450715.db2.gz NEDZSDNZGSUPGD-KBPBESRZSA-N 2 2 299.463 0.262 20 0 CCADLP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000349877298 389450716 /nfs/dbraw/zinc/45/07/16/389450716.db2.gz NEDZSDNZGSUPGD-KBPBESRZSA-N 2 2 299.463 0.262 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000272002705 389456557 /nfs/dbraw/zinc/45/65/57/389456557.db2.gz RWKXCFNTVYGEKB-UHFFFAOYSA-N 3 2 274.372 0.829 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CCCn2ccnc2)CC1 ZINC000272002705 389456563 /nfs/dbraw/zinc/45/65/63/389456563.db2.gz RWKXCFNTVYGEKB-UHFFFAOYSA-N 2 2 274.372 0.829 20 0 CCADLP CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422708381 389456580 /nfs/dbraw/zinc/45/65/80/389456580.db2.gz BWJHQOLBHKFXNT-OAGGEKHMSA-N 3 2 282.476 0.990 20 0 CCADLP CC1(C)COCCN1CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422716148 389457365 /nfs/dbraw/zinc/45/73/65/389457365.db2.gz UDDYCVTZRMKHCU-CABCVRRESA-N 2 2 297.443 0.454 20 0 CCADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CCC[C@H]2[NH3+])CC1 ZINC000422712541 389457382 /nfs/dbraw/zinc/45/73/82/389457382.db2.gz IMRVIUOVNJQTAC-CABCVRRESA-N 3 2 289.427 0.803 20 0 CCADLP C([NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)[C@@H]1CCCOC1 ZINC000422721660 389458718 /nfs/dbraw/zinc/45/87/18/389458718.db2.gz VYWGORHWDCJYMH-IACUBPJLSA-N 2 2 254.374 0.770 20 0 CCADLP C[C@H]([NH2+]CCN1CCOCC1(C)C)[C@H]1CCC[NH2+]1 ZINC000422717613 389459289 /nfs/dbraw/zinc/45/92/89/389459289.db2.gz VSKDFJBEBYMLFW-QWHCGFSZSA-N 2 2 255.406 0.827 20 0 CCADLP C[C@H](NCC[N@@H+]1CCOCC1(C)C)[C@H]1CCC[NH2+]1 ZINC000422717613 389459294 /nfs/dbraw/zinc/45/92/94/389459294.db2.gz VSKDFJBEBYMLFW-QWHCGFSZSA-N 2 2 255.406 0.827 20 0 CCADLP C[C@H](NCC[N@H+]1CCOCC1(C)C)[C@H]1CCC[NH2+]1 ZINC000422717613 389459298 /nfs/dbraw/zinc/45/92/98/389459298.db2.gz VSKDFJBEBYMLFW-QWHCGFSZSA-N 2 2 255.406 0.827 20 0 CCADLP COC(=O)[C@H]1CN(Cc2cc(OC)cc[nH+]2)CC[N@H+](C)C1 ZINC000411908764 389459576 /nfs/dbraw/zinc/45/95/76/389459576.db2.gz QQEQHAJBQUELRK-GFCCVEGCSA-N 2 2 293.367 0.627 20 0 CCADLP COC(=O)[C@H]1CN(Cc2cc(OC)cc[nH+]2)CC[N@@H+](C)C1 ZINC000411908764 389459579 /nfs/dbraw/zinc/45/95/79/389459579.db2.gz QQEQHAJBQUELRK-GFCCVEGCSA-N 2 2 293.367 0.627 20 0 CCADLP CCNC(=O)N1CC[C@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422929373 389506361 /nfs/dbraw/zinc/50/63/61/389506361.db2.gz PPSKRFSPRFOZPV-SRVKXCTJSA-N 2 2 254.378 0.378 20 0 CCADLP C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1CCC[NH2+]1 ZINC000422954424 389510276 /nfs/dbraw/zinc/51/02/76/389510276.db2.gz HMVDKKGXCZLSOL-LPEHRKFASA-N 2 2 279.306 0.880 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000422967847 389511341 /nfs/dbraw/zinc/51/13/41/389511341.db2.gz UMDNLBYUHWWLCW-UKRRQHHQSA-N 3 2 268.449 0.600 20 0 CCADLP CC(C)N(C)C(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334994009 389518692 /nfs/dbraw/zinc/51/86/92/389518692.db2.gz REPQTSNPCUMVEB-CQSZACIVSA-N 2 2 253.390 0.929 20 0 CCADLP CC(C)N(C)C(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334994009 389518696 /nfs/dbraw/zinc/51/86/96/389518696.db2.gz REPQTSNPCUMVEB-CQSZACIVSA-N 2 2 253.390 0.929 20 0 CCADLP COC(=O)[C@H]1CN(c2cc[nH+]c(C)n2)CC[N@H+](C)C1 ZINC000413492435 389520926 /nfs/dbraw/zinc/52/09/26/389520926.db2.gz DAWVCCVHZMQFHE-LLVKDONJSA-N 2 2 264.329 0.326 20 0 CCADLP COC(=O)[C@H]1CN(c2cc[nH+]c(C)n2)CC[N@@H+](C)C1 ZINC000413492435 389520929 /nfs/dbraw/zinc/52/09/29/389520929.db2.gz DAWVCCVHZMQFHE-LLVKDONJSA-N 2 2 264.329 0.326 20 0 CCADLP C[C@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)[C@H]1CCC[NH2+]1 ZINC000423024628 389523658 /nfs/dbraw/zinc/52/36/58/389523658.db2.gz JTDGYPKKKPNUBV-FPMFFAJLSA-N 2 2 253.390 0.580 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000174764641 389529513 /nfs/dbraw/zinc/52/95/13/389529513.db2.gz IXLZNXUORODCGG-LLVKDONJSA-N 2 2 250.346 0.943 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000174764641 389529517 /nfs/dbraw/zinc/52/95/17/389529517.db2.gz IXLZNXUORODCGG-LLVKDONJSA-N 2 2 250.346 0.943 20 0 CCADLP C[N@@H+]1CC[C@@H](NC(=O)C[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000335026078 389531594 /nfs/dbraw/zinc/53/15/94/389531594.db2.gz WAGJKMPFDDELRH-YPMHNXCESA-N 2 2 269.295 0.785 20 0 CCADLP C[N@H+]1CC[C@@H](NC(=O)C[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000335026078 389531597 /nfs/dbraw/zinc/53/15/97/389531597.db2.gz WAGJKMPFDDELRH-YPMHNXCESA-N 2 2 269.295 0.785 20 0 CCADLP CC[C@@H]1CN(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CCO1 ZINC000423091404 389533109 /nfs/dbraw/zinc/53/31/09/389533109.db2.gz XAMVEYLCZCCNRQ-MJBXVCDLSA-N 2 2 255.406 0.827 20 0 CCADLP CC[C@@H]1C[N@H+](CCN[C@@H](C)[C@@H]2CCC[NH2+]2)CCO1 ZINC000423091404 389533113 /nfs/dbraw/zinc/53/31/13/389533113.db2.gz XAMVEYLCZCCNRQ-MJBXVCDLSA-N 2 2 255.406 0.827 20 0 CCADLP CC[C@@H]1C[N@@H+](CCN[C@@H](C)[C@@H]2CCC[NH2+]2)CCO1 ZINC000423091404 389533117 /nfs/dbraw/zinc/53/31/17/389533117.db2.gz XAMVEYLCZCCNRQ-MJBXVCDLSA-N 2 2 255.406 0.827 20 0 CCADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC(=O)NCC(F)F ZINC000423103687 389535386 /nfs/dbraw/zinc/53/53/86/389535386.db2.gz XVQKFXLKTBZMHG-PWSUYJOCSA-N 2 2 285.338 0.916 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1CN[C@@H]1CC[NH2+][C@@H]1C(=O)OCC ZINC000423108847 389536737 /nfs/dbraw/zinc/53/67/37/389536737.db2.gz MTTHOZVWNIZNPP-MJBXVCDLSA-N 2 2 283.416 0.744 20 0 CCADLP CCC[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH2+][C@@H]1C(=O)OCC ZINC000423108847 389536743 /nfs/dbraw/zinc/53/67/43/389536743.db2.gz MTTHOZVWNIZNPP-MJBXVCDLSA-N 2 2 283.416 0.744 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](CO)CC1CCC1 ZINC000423127780 389538659 /nfs/dbraw/zinc/53/86/59/389538659.db2.gz KATKJBBXGVKGEZ-KWCYVHTRSA-N 2 2 256.390 0.894 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCC1([NH3+])CCCCC1 ZINC000423181725 389548828 /nfs/dbraw/zinc/54/88/28/389548828.db2.gz PIYUENYDDKGFLR-VXGBXAGGSA-N 2 2 269.389 0.531 20 0 CCADLP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CC1([NH3+])CCCCC1 ZINC000423181725 389548832 /nfs/dbraw/zinc/54/88/32/389548832.db2.gz PIYUENYDDKGFLR-VXGBXAGGSA-N 2 2 269.389 0.531 20 0 CCADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC000335491130 389571502 /nfs/dbraw/zinc/57/15/02/389571502.db2.gz JTFSEHGTJOVRDQ-CZUORRHYSA-N 2 2 288.395 1.000 20 0 CCADLP C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC000335491130 389571504 /nfs/dbraw/zinc/57/15/04/389571504.db2.gz JTFSEHGTJOVRDQ-CZUORRHYSA-N 2 2 288.395 1.000 20 0 CCADLP Cc1ccc(NC(=O)C(=O)NCCC[NH+](C)C)c(C)[nH+]1 ZINC000176538270 389559805 /nfs/dbraw/zinc/55/98/05/389559805.db2.gz XBUXWKXEIFDGRL-UHFFFAOYSA-N 2 2 278.356 0.705 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000422876707 389497295 /nfs/dbraw/zinc/49/72/95/389497295.db2.gz GSQKXQLEGLKCEF-XJFOESAGSA-N 2 2 281.400 0.496 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000422876707 389497298 /nfs/dbraw/zinc/49/72/98/389497298.db2.gz GSQKXQLEGLKCEF-XJFOESAGSA-N 2 2 281.400 0.496 20 0 CCADLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)[C@@H]1CCC[NH2+]1 ZINC000422890233 389499978 /nfs/dbraw/zinc/49/99/78/389499978.db2.gz ROWDTFAUEQAFAU-IHRRRGAJSA-N 3 2 282.432 0.446 20 0 CCADLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)[C@@H]1CCC[NH2+]1 ZINC000422890233 389499982 /nfs/dbraw/zinc/49/99/82/389499982.db2.gz ROWDTFAUEQAFAU-IHRRRGAJSA-N 3 2 282.432 0.446 20 0 CCADLP CN(C(=O)[C@@H]1CC(F)(F)C[NH2+]1)C1CC[NH+](C)CC1 ZINC000334626111 389500417 /nfs/dbraw/zinc/50/04/17/389500417.db2.gz RZEQBHXAKJMAAT-JTQLQIEISA-N 2 2 261.316 0.536 20 0 CCADLP CN1CCC[C@@H]1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422905778 389503326 /nfs/dbraw/zinc/50/33/26/389503326.db2.gz SSIOWRSXIRSLIO-MCIONIFRSA-N 2 2 253.390 0.437 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@H](C)[NH+]1CCOCC1)[C@H](C)[NH3+] ZINC000423335680 389568318 /nfs/dbraw/zinc/56/83/18/389568318.db2.gz UCKOZRRYDVTFHL-AVGNSLFASA-N 2 2 271.405 0.443 20 0 CCADLP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414362124 389612235 /nfs/dbraw/zinc/61/22/35/389612235.db2.gz IXZSEWJRKUTBJP-CQSZACIVSA-N 3 2 297.447 0.933 20 0 CCADLP CC[C@@H](C)[C@H](O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414356276 389612274 /nfs/dbraw/zinc/61/22/74/389612274.db2.gz YYMMZZYPAPMIBW-ZYHUDNBSSA-N 2 2 254.378 0.983 20 0 CCADLP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000423924454 389614937 /nfs/dbraw/zinc/61/49/37/389614937.db2.gz ABDSIIRKGWXNFV-BYNSBNAKSA-N 2 2 295.427 0.552 20 0 CCADLP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000423924454 389614940 /nfs/dbraw/zinc/61/49/40/389614940.db2.gz ABDSIIRKGWXNFV-BYNSBNAKSA-N 2 2 295.427 0.552 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C(C)(C)C1 ZINC000335945864 389617819 /nfs/dbraw/zinc/61/78/19/389617819.db2.gz HZSHNFZLFTZRBZ-LBPRGKRZSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C(C)(C)C1 ZINC000335945864 389617825 /nfs/dbraw/zinc/61/78/25/389617825.db2.gz HZSHNFZLFTZRBZ-LBPRGKRZSA-N 2 2 253.390 0.881 20 0 CCADLP CC[C@H](C)NC(=O)C[NH+]1CCN(C[C@H]([NH3+])CC(C)C)CC1 ZINC000414681230 389625549 /nfs/dbraw/zinc/62/55/49/389625549.db2.gz VOBMQKASHYPQKC-LSDHHAIUSA-N 2 2 298.475 0.892 20 0 CCADLP CCCn1nc(C)c(C[NH2+]C[C@H]2C[NH2+]CCN2C)c1C ZINC000414963488 389647805 /nfs/dbraw/zinc/64/78/05/389647805.db2.gz KWDSRNHBLZVGRU-CQSZACIVSA-N 2 2 279.432 0.903 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000375003613 389627324 /nfs/dbraw/zinc/62/73/24/389627324.db2.gz HHAKPCAUDSEXDJ-CQSZACIVSA-N 2 2 283.416 0.507 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000375003613 389627327 /nfs/dbraw/zinc/62/73/27/389627327.db2.gz HHAKPCAUDSEXDJ-CQSZACIVSA-N 2 2 283.416 0.507 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H](CO)c1cccc(F)c1)C1CC1 ZINC000351602555 389629465 /nfs/dbraw/zinc/62/94/65/389629465.db2.gz IQTPURLKOBPTBL-GJZGRUSLSA-N 2 2 282.359 0.904 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](CO)c1cccc(F)c1)C1CC1 ZINC000351602555 389629468 /nfs/dbraw/zinc/62/94/68/389629468.db2.gz IQTPURLKOBPTBL-GJZGRUSLSA-N 2 2 282.359 0.904 20 0 CCADLP COCCO[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351621523 389637389 /nfs/dbraw/zinc/63/73/89/389637389.db2.gz QCLDXOMSPPHFME-KBPBESRZSA-N 2 2 272.389 0.179 20 0 CCADLP COCCO[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351621523 389637391 /nfs/dbraw/zinc/63/73/91/389637391.db2.gz QCLDXOMSPPHFME-KBPBESRZSA-N 2 2 272.389 0.179 20 0 CCADLP COCCO[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000351621523 389637393 /nfs/dbraw/zinc/63/73/93/389637393.db2.gz QCLDXOMSPPHFME-KBPBESRZSA-N 2 2 272.389 0.179 20 0 CCADLP COCCO[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351621523 389637395 /nfs/dbraw/zinc/63/73/95/389637395.db2.gz QCLDXOMSPPHFME-KBPBESRZSA-N 2 2 272.389 0.179 20 0 CCADLP COC(=O)COc1ccc(C[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000414879384 389642281 /nfs/dbraw/zinc/64/22/81/389642281.db2.gz IRAZKFGZIPGNHC-GFCCVEGCSA-N 2 2 264.325 0.690 20 0 CCADLP C[C@H](C(=O)N(C)C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000336528186 389642883 /nfs/dbraw/zinc/64/28/83/389642883.db2.gz ALYGNFWZWGBVHT-LLVKDONJSA-N 2 2 250.346 0.997 20 0 CCADLP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CCC[N@H+](C)C1 ZINC000335548430 389574562 /nfs/dbraw/zinc/57/45/62/389574562.db2.gz OJKIXCSWWPIWPP-GXTWGEPZSA-N 2 2 276.384 0.998 20 0 CCADLP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CCC[N@@H+](C)C1 ZINC000335548430 389574569 /nfs/dbraw/zinc/57/45/69/389574569.db2.gz OJKIXCSWWPIWPP-GXTWGEPZSA-N 2 2 276.384 0.998 20 0 CCADLP COC[C@]1(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CCC[NH2+]1 ZINC000423411680 389582315 /nfs/dbraw/zinc/58/23/15/389582315.db2.gz GDTDNPHIHKXUTN-MGPQQGTHSA-N 3 2 255.406 0.862 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)[C@H]2C[C@H](C)CC[NH2+]2)CC1 ZINC000423428805 389585171 /nfs/dbraw/zinc/58/51/71/389585171.db2.gz RTGBNHOMFZUDEM-HUUCEWRRSA-N 2 2 297.443 0.944 20 0 CCADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)Nc3ccncc3)C[C@H]12 ZINC000351479009 389586124 /nfs/dbraw/zinc/58/61/24/389586124.db2.gz QPUFWAVNVAWVDO-WCFLWFBJSA-N 2 2 260.341 0.111 20 0 CCADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)Nc3ccncc3)C[C@H]12 ZINC000351479009 389586129 /nfs/dbraw/zinc/58/61/29/389586129.db2.gz QPUFWAVNVAWVDO-WCFLWFBJSA-N 2 2 260.341 0.111 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000423457471 389589811 /nfs/dbraw/zinc/58/98/11/389589811.db2.gz FUQULUXKNKYRSY-HZSPNIEDSA-N 2 2 283.416 0.683 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000423457471 389589814 /nfs/dbraw/zinc/58/98/14/389589814.db2.gz FUQULUXKNKYRSY-HZSPNIEDSA-N 2 2 283.416 0.683 20 0 CCADLP C[C@@H](CC[NH3+])NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000423504433 389596456 /nfs/dbraw/zinc/59/64/56/389596456.db2.gz GLFMTLBOWPWFTA-AAEUAGOBSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H](CC[NH3+])NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000423504433 389596458 /nfs/dbraw/zinc/59/64/58/389596458.db2.gz GLFMTLBOWPWFTA-AAEUAGOBSA-N 2 2 269.389 0.341 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000423514126 389597680 /nfs/dbraw/zinc/59/76/80/389597680.db2.gz DAYHPEDXKRMKEV-GOEBONIOSA-N 2 2 297.443 0.993 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000423514126 389597685 /nfs/dbraw/zinc/59/76/85/389597685.db2.gz DAYHPEDXKRMKEV-GOEBONIOSA-N 2 2 297.443 0.993 20 0 CCADLP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000423520792 389598255 /nfs/dbraw/zinc/59/82/55/389598255.db2.gz KMRZJFSURLXFIK-NWDGAFQWSA-N 2 2 257.378 0.211 20 0 CCADLP CN(C(=O)CCn1cc[nH+]c1)C(C)(C)C[NH+]1CCOCC1 ZINC000414053477 389598358 /nfs/dbraw/zinc/59/83/58/389598358.db2.gz SCVATTHDZCBYKC-UHFFFAOYSA-N 2 2 294.399 0.842 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1cccc(CO)c1 ZINC000423522100 389599920 /nfs/dbraw/zinc/59/99/20/389599920.db2.gz RHRLLSQWVJRBEW-WFASDCNBSA-N 2 2 263.385 0.733 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)[C@H]1C[C@H]1C ZINC000414109420 389601097 /nfs/dbraw/zinc/60/10/97/389601097.db2.gz HECFAMVKNUZOEG-MROQNXINSA-N 2 2 253.390 0.960 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)[C@H]1C[C@H]1C ZINC000414109420 389601098 /nfs/dbraw/zinc/60/10/98/389601098.db2.gz HECFAMVKNUZOEG-MROQNXINSA-N 2 2 253.390 0.960 20 0 CCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)[C@@H](C)C[N@@H+]1CCO ZINC000416287456 389724915 /nfs/dbraw/zinc/72/49/15/389724915.db2.gz BYTVCHFKVHGCHW-OLZOCXBDSA-N 2 2 280.372 0.187 20 0 CCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)[C@@H](C)C[N@H+]1CCO ZINC000416287456 389724918 /nfs/dbraw/zinc/72/49/18/389724918.db2.gz BYTVCHFKVHGCHW-OLZOCXBDSA-N 2 2 280.372 0.187 20 0 CCADLP C[NH+](C)CCOC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000351902510 389711107 /nfs/dbraw/zinc/71/11/07/389711107.db2.gz ZPYVHVZRIYUOKL-UHFFFAOYSA-N 2 2 294.399 0.842 20 0 CCADLP c1cnn(-c2ccc(C[NH2+]C[C@H]3C[NH2+]CCO3)cc2)c1 ZINC000415096695 389658451 /nfs/dbraw/zinc/65/84/51/389658451.db2.gz QITJCMSVYZADAW-OAHLLOKOSA-N 2 2 272.352 0.950 20 0 CCADLP NC(=O)[C@H](C[NH2+][C@@H]1CCC[NH2+]C1)Cc1ccc(F)cc1 ZINC000415103472 389659958 /nfs/dbraw/zinc/65/99/58/389659958.db2.gz KJDYLXDSKDXCCY-GXTWGEPZSA-N 2 2 279.359 0.811 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000428157294 389685528 /nfs/dbraw/zinc/68/55/28/389685528.db2.gz OWGFVZRXWGOEOW-AVGNSLFASA-N 2 2 269.389 0.435 20 0 CCADLP CCN1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1=O ZINC000391606474 389773368 /nfs/dbraw/zinc/77/33/68/389773368.db2.gz LUDORJPRAUUAQZ-IJLUTSLNSA-N 2 2 251.374 0.822 20 0 CCADLP CCN1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1=O ZINC000391606474 389773369 /nfs/dbraw/zinc/77/33/69/389773369.db2.gz LUDORJPRAUUAQZ-IJLUTSLNSA-N 2 2 251.374 0.822 20 0 CCADLP CC[NH2+]CCNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000416868287 389777552 /nfs/dbraw/zinc/77/75/52/389777552.db2.gz JDEONYFCHVQONX-UHFFFAOYSA-N 2 2 261.329 0.743 20 0 CCADLP C[C@@H](C[NH3+])CNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000416878616 389779146 /nfs/dbraw/zinc/77/91/46/389779146.db2.gz XZCODIIJZUGNQE-JTQLQIEISA-N 2 2 261.329 0.728 20 0 CCADLP CN(C)c1ccc(CNC(=O)N[C@H](C[NH3+])C2CC2)c[nH+]1 ZINC000417011101 389789678 /nfs/dbraw/zinc/78/96/78/389789678.db2.gz RAQUZLJEEMRAQE-GFCCVEGCSA-N 2 2 277.372 0.684 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCCC[NH2+]C1CC1 ZINC000417023225 389790486 /nfs/dbraw/zinc/79/04/86/389790486.db2.gz LQRVPKDIPRHTJF-GFCCVEGCSA-N 2 2 284.404 0.148 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[NH+]1CCOCC1)[C@@H](C)[NH3+] ZINC000399468279 389791998 /nfs/dbraw/zinc/79/19/98/389791998.db2.gz XVOSBPSUDKENME-VXGBXAGGSA-N 2 2 257.378 0.054 20 0 CCADLP C[C@H](CC[NH3+])NC(=O)NCCCNc1cccc[nH+]1 ZINC000417064222 389792738 /nfs/dbraw/zinc/79/27/38/389792738.db2.gz ADEOTRGTIYMADF-LLVKDONJSA-N 2 2 265.361 0.920 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429020438 389733910 /nfs/dbraw/zinc/73/39/10/389733910.db2.gz LYPITRXZONHSFM-HNNXBMFYSA-N 2 2 296.415 0.640 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429020438 389733913 /nfs/dbraw/zinc/73/39/13/389733913.db2.gz LYPITRXZONHSFM-HNNXBMFYSA-N 2 2 296.415 0.640 20 0 CCADLP CCCCNC(=O)NC(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429020438 389733916 /nfs/dbraw/zinc/73/39/16/389733916.db2.gz LYPITRXZONHSFM-HNNXBMFYSA-N 2 2 296.415 0.640 20 0 CCADLP CCCCNC(=O)NC(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000429020438 389733918 /nfs/dbraw/zinc/73/39/18/389733918.db2.gz LYPITRXZONHSFM-HNNXBMFYSA-N 2 2 296.415 0.640 20 0 CCADLP COC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)[C@H]1CCCO1 ZINC000352358921 389797222 /nfs/dbraw/zinc/79/72/22/389797222.db2.gz ZYQHJKNBDFKIIR-HZSPNIEDSA-N 2 2 272.389 0.225 20 0 CCADLP COC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)[C@H]1CCCO1 ZINC000352358921 389797223 /nfs/dbraw/zinc/79/72/23/389797223.db2.gz ZYQHJKNBDFKIIR-HZSPNIEDSA-N 2 2 272.389 0.225 20 0 CCADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000352027337 389738210 /nfs/dbraw/zinc/73/82/10/389738210.db2.gz KISBODBFVLNJLB-VNQPRFMTSA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000352027337 389738214 /nfs/dbraw/zinc/73/82/14/389738214.db2.gz KISBODBFVLNJLB-VNQPRFMTSA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1[C@H](N2CCOCC2)CC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000352027337 389738218 /nfs/dbraw/zinc/73/82/18/389738218.db2.gz KISBODBFVLNJLB-VNQPRFMTSA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1[C@H](N2CCOCC2)CC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000352027337 389738220 /nfs/dbraw/zinc/73/82/20/389738220.db2.gz KISBODBFVLNJLB-VNQPRFMTSA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1[C@H](N2CCOCC2)CC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000352027337 389738224 /nfs/dbraw/zinc/73/82/24/389738224.db2.gz KISBODBFVLNJLB-VNQPRFMTSA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1[C@H](N2CCOCC2)CC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000352027337 389738226 /nfs/dbraw/zinc/73/82/26/389738226.db2.gz KISBODBFVLNJLB-VNQPRFMTSA-N 2 2 297.443 0.237 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)NCC[C@H]1CCC[NH2+]C1 ZINC000416430173 389742034 /nfs/dbraw/zinc/74/20/34/389742034.db2.gz ATFZMBCNZMHJNL-CYBMUJFWSA-N 2 2 279.388 0.962 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCC[NH+]1CCOCC1 ZINC000416432655 389742811 /nfs/dbraw/zinc/74/28/11/389742811.db2.gz LMAGRFAHQCIHHW-STQMWFEESA-N 2 2 284.404 0.230 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCCC[NH2+]C1CC1 ZINC000416439017 389743534 /nfs/dbraw/zinc/74/35/34/389743534.db2.gz BJPXZZZFFHKIEJ-NSHDSACASA-N 2 2 265.361 0.713 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCCCn1cc[nH+]c1 ZINC000416441975 389744219 /nfs/dbraw/zinc/74/42/19/389744219.db2.gz WQHYLHXWOPZEPV-RYUDHWBXSA-N 2 2 265.361 0.570 20 0 CCADLP CN(CC[NH3+])C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000417272689 389806650 /nfs/dbraw/zinc/80/66/50/389806650.db2.gz VQYDQCDOYGMCCD-UHFFFAOYSA-N 2 2 273.340 0.972 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000430598969 389811424 /nfs/dbraw/zinc/81/14/24/389811424.db2.gz FKUYLKNOSKVWAT-JSGCOSHPSA-N 2 2 291.399 0.457 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000430598969 389811427 /nfs/dbraw/zinc/81/14/27/389811427.db2.gz FKUYLKNOSKVWAT-JSGCOSHPSA-N 2 2 291.399 0.457 20 0 CCADLP [NH3+]C[C@H]1CCC[N@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000430613147 389812782 /nfs/dbraw/zinc/81/27/82/389812782.db2.gz VBHIGLUBWRKHER-CYBMUJFWSA-N 2 2 297.424 0.636 20 0 CCADLP [NH3+]C[C@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000430613147 389812785 /nfs/dbraw/zinc/81/27/85/389812785.db2.gz VBHIGLUBWRKHER-CYBMUJFWSA-N 2 2 297.424 0.636 20 0 CCADLP [NH3+][C@H]1CC[N@H+](CCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000430618037 389813412 /nfs/dbraw/zinc/81/34/12/389813412.db2.gz QSRYKTLWAYOSQM-JTQLQIEISA-N 2 2 277.324 0.777 20 0 CCADLP [NH3+][C@H]1CC[N@@H+](CCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000430618037 389813414 /nfs/dbraw/zinc/81/34/14/389813414.db2.gz QSRYKTLWAYOSQM-JTQLQIEISA-N 2 2 277.324 0.777 20 0 CCADLP CCOCCCNC(=O)[C@@H](C)[NH+]1CCC([NH3+])CC1 ZINC000430638615 389815090 /nfs/dbraw/zinc/81/50/90/389815090.db2.gz FYSHUKKFFDJVLP-LLVKDONJSA-N 2 2 257.378 0.341 20 0 CCADLP [NH3+]C[C@H]1CCC[N@@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000430639273 389815824 /nfs/dbraw/zinc/81/58/24/389815824.db2.gz OVEQWQABNAXYJD-ZJUUUORDSA-N 2 2 279.306 0.820 20 0 CCADLP [NH3+]C[C@H]1CCC[N@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000430639273 389815826 /nfs/dbraw/zinc/81/58/26/389815826.db2.gz OVEQWQABNAXYJD-ZJUUUORDSA-N 2 2 279.306 0.820 20 0 CCADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccncc1 ZINC000352503251 389820444 /nfs/dbraw/zinc/82/04/44/389820444.db2.gz DDGHNUCYUJEUFE-ZDUSSCGKSA-N 2 2 262.357 0.645 20 0 CCADLP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccncc1 ZINC000352503251 389820445 /nfs/dbraw/zinc/82/04/45/389820445.db2.gz DDGHNUCYUJEUFE-ZDUSSCGKSA-N 2 2 262.357 0.645 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000417500893 389821847 /nfs/dbraw/zinc/82/18/47/389821847.db2.gz HVJKTLXOSKHYHE-GFCCVEGCSA-N 2 2 284.404 0.230 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000417500893 389821850 /nfs/dbraw/zinc/82/18/50/389821850.db2.gz HVJKTLXOSKHYHE-GFCCVEGCSA-N 2 2 284.404 0.230 20 0 CCADLP C[C@H](NC(=O)N1CCCC[C@H]1C[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000417519554 389825137 /nfs/dbraw/zinc/82/51/37/389825137.db2.gz MOBYDGAXXIQJEC-IHRRRGAJSA-N 2 2 298.431 0.618 20 0 CCADLP C[NH2+]C[C@@H]1CCCN1C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000417529857 389827324 /nfs/dbraw/zinc/82/73/24/389827324.db2.gz XYAZFBZXSGNHRC-IHRRRGAJSA-N 2 2 298.431 0.489 20 0 CCADLP O=C(C[C@H]1CCC[NH2+]1)NCc1cn2c([nH+]1)CCCC2 ZINC000430900551 389833206 /nfs/dbraw/zinc/83/32/06/389833206.db2.gz OJUHRGIHZNUHMB-LLVKDONJSA-N 2 2 262.357 0.978 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430919412 389834998 /nfs/dbraw/zinc/83/49/98/389834998.db2.gz KYKCTEZMBAPDGG-LPWJVIDDSA-N 2 2 269.389 0.339 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430919412 389835001 /nfs/dbraw/zinc/83/50/01/389835001.db2.gz KYKCTEZMBAPDGG-LPWJVIDDSA-N 2 2 269.389 0.339 20 0 CCADLP C[C@@H](C[NH3+])[N@H+](C)CCC(=O)NC(=O)NCC(F)(F)F ZINC000430940212 389837542 /nfs/dbraw/zinc/83/75/42/389837542.db2.gz JGZBVIDJFVCEKK-ZETCQYMHSA-N 2 2 284.282 0.044 20 0 CCADLP C[C@@H](C[NH3+])[N@@H+](C)CCC(=O)NC(=O)NCC(F)(F)F ZINC000430940212 389837543 /nfs/dbraw/zinc/83/75/43/389837543.db2.gz JGZBVIDJFVCEKK-ZETCQYMHSA-N 2 2 284.282 0.044 20 0 CCADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430939708 389837588 /nfs/dbraw/zinc/83/75/88/389837588.db2.gz MCKOXFABWKIHAZ-GHMZBOCLSA-N 2 2 290.367 0.393 20 0 CCADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430939708 389837589 /nfs/dbraw/zinc/83/75/89/389837589.db2.gz MCKOXFABWKIHAZ-GHMZBOCLSA-N 2 2 290.367 0.393 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)NC(=O)NCC(F)(F)F)CC[C@H]1[NH3+] ZINC000430943698 389838240 /nfs/dbraw/zinc/83/82/40/389838240.db2.gz PVZCRTKYXMHLRU-JGVFFNPUSA-N 2 2 296.293 0.044 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)CC[C@H]1[NH3+] ZINC000430943698 389838242 /nfs/dbraw/zinc/83/82/42/389838242.db2.gz PVZCRTKYXMHLRU-JGVFFNPUSA-N 2 2 296.293 0.044 20 0 CCADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)NCc2cc(F)cc(F)c2)C1 ZINC000430965577 389842084 /nfs/dbraw/zinc/84/20/84/389842084.db2.gz LOGKAHYOFOZRKW-SNVBAGLBSA-N 2 2 283.322 0.862 20 0 CCADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)NCc2cc(F)cc(F)c2)C1 ZINC000430965577 389842086 /nfs/dbraw/zinc/84/20/86/389842086.db2.gz LOGKAHYOFOZRKW-SNVBAGLBSA-N 2 2 283.322 0.862 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430974364 389842822 /nfs/dbraw/zinc/84/28/22/389842822.db2.gz YYHAAKDWDJKCIL-SRVKXCTJSA-N 2 2 284.404 0.526 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430974364 389842824 /nfs/dbraw/zinc/84/28/24/389842824.db2.gz YYHAAKDWDJKCIL-SRVKXCTJSA-N 2 2 284.404 0.526 20 0 CCADLP CCn1c[nH+]cc1CN1CCO[C@H](C[NH+](C)C)C1 ZINC000417705562 389843972 /nfs/dbraw/zinc/84/39/72/389843972.db2.gz UQKWKRJUPRZDEN-CYBMUJFWSA-N 2 2 252.362 0.665 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]CCC2(O)CCOCC2)[C@@H](C)C1 ZINC000353049118 389844445 /nfs/dbraw/zinc/84/44/45/389844445.db2.gz CJPWZFJQNQUGLO-STQMWFEESA-N 2 2 256.390 0.848 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]CCC2(O)CCOCC2)[C@@H](C)C1 ZINC000353049118 389844447 /nfs/dbraw/zinc/84/44/47/389844447.db2.gz CJPWZFJQNQUGLO-STQMWFEESA-N 2 2 256.390 0.848 20 0 CCADLP Cn1cc([C@@H]2CC[N@H+](Cc3nc(C(C)(C)[NH3+])no3)C2)cn1 ZINC000431071612 389848528 /nfs/dbraw/zinc/84/85/28/389848528.db2.gz PPZFQYFKXCWZSJ-SNVBAGLBSA-N 2 2 290.371 0.986 20 0 CCADLP Cn1cc([C@@H]2CC[N@@H+](Cc3nc(C(C)(C)[NH3+])no3)C2)cn1 ZINC000431071612 389848531 /nfs/dbraw/zinc/84/85/31/389848531.db2.gz PPZFQYFKXCWZSJ-SNVBAGLBSA-N 2 2 290.371 0.986 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@@H+]2CC[C@@]3(CCOC3)C2)n1 ZINC000431106789 389850588 /nfs/dbraw/zinc/85/05/88/389850588.db2.gz OFKAWTSYKZSWEI-CYBMUJFWSA-N 2 2 266.345 0.876 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@H+]2CC[C@@]3(CCOC3)C2)n1 ZINC000431106789 389850590 /nfs/dbraw/zinc/85/05/90/389850590.db2.gz OFKAWTSYKZSWEI-CYBMUJFWSA-N 2 2 266.345 0.876 20 0 CCADLP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000417850661 389856815 /nfs/dbraw/zinc/85/68/15/389856815.db2.gz MMNHOPRWXLUNFT-OKTBNZSVSA-N 2 2 257.284 0.817 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000417856038 389857499 /nfs/dbraw/zinc/85/74/99/389857499.db2.gz RNSARJDXNUPKIP-WRWORJQWSA-N 2 2 257.284 0.818 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)n1 ZINC000442788722 389863256 /nfs/dbraw/zinc/86/32/56/389863256.db2.gz YJRZBHPBIROQRE-VHSXEESVSA-N 2 2 250.346 0.914 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)n1 ZINC000442788722 389863258 /nfs/dbraw/zinc/86/32/58/389863258.db2.gz YJRZBHPBIROQRE-VHSXEESVSA-N 2 2 250.346 0.914 20 0 CCADLP C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000443343256 389878932 /nfs/dbraw/zinc/87/89/32/389878932.db2.gz IPSRHMIPHVOHQR-HZSPNIEDSA-N 2 2 283.416 0.242 20 0 CCADLP C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000443343256 389878934 /nfs/dbraw/zinc/87/89/34/389878934.db2.gz IPSRHMIPHVOHQR-HZSPNIEDSA-N 2 2 283.416 0.242 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000375003610 285350525 /nfs/dbraw/zinc/35/05/25/285350525.db2.gz HHAKPCAUDSEXDJ-AWEZNQCLSA-N 2 2 283.416 0.507 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000375003610 285350530 /nfs/dbraw/zinc/35/05/30/285350530.db2.gz HHAKPCAUDSEXDJ-AWEZNQCLSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cn(C)nn2)CCCO1 ZINC000432360946 389878965 /nfs/dbraw/zinc/87/89/65/389878965.db2.gz CEQKIINYLPTJHJ-GFCCVEGCSA-N 2 2 267.377 0.406 20 0 CCADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cn(C)nn2)CCCO1 ZINC000432360946 389878967 /nfs/dbraw/zinc/87/89/67/389878967.db2.gz CEQKIINYLPTJHJ-GFCCVEGCSA-N 2 2 267.377 0.406 20 0 CCADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CC[NH2+]1 ZINC000444178226 389895376 /nfs/dbraw/zinc/89/53/76/389895376.db2.gz WFUBUOZUPGPUAW-GFCCVEGCSA-N 2 2 274.299 0.990 20 0 CCADLP O=C([C@H]1C[C@@]12CC[NH2+]C2)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000444269943 389898503 /nfs/dbraw/zinc/89/85/03/389898503.db2.gz PCINFRAQKRYGJU-IUODEOHRSA-N 2 2 289.383 0.054 20 0 CCADLP Nc1cc[nH+]cc1C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000444272412 389898795 /nfs/dbraw/zinc/89/87/95/389898795.db2.gz XAASCWXZNIKWHT-UHFFFAOYSA-N 2 2 286.339 0.175 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000433115039 389899141 /nfs/dbraw/zinc/89/91/41/389899141.db2.gz ITGSBEBCBOCJLS-AWEZNQCLSA-N 3 2 284.448 0.360 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000433146826 389901451 /nfs/dbraw/zinc/90/14/51/389901451.db2.gz MOVQFCFWGSQCFP-MELADBBJSA-N 2 2 283.416 0.396 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@H]2CC[C@H](C)S(=O)(=O)C2)n1C ZINC000657640554 413044682 /nfs/dbraw/zinc/04/46/82/413044682.db2.gz YDXJYFMSKTVGIN-ONGXEEELSA-N 2 2 271.386 0.784 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000447444352 389955793 /nfs/dbraw/zinc/95/57/93/389955793.db2.gz WFNOEUVYBVRGFG-NSHDSACASA-N 2 2 294.399 0.792 20 0 CCADLP Cc1nc(N(C)C2CC[NH2+]CC2)nc(N(C)C)[nH+]1 ZINC000420143243 389957987 /nfs/dbraw/zinc/95/79/87/389957987.db2.gz WWKOKDYSCMJMGD-UHFFFAOYSA-N 2 2 250.350 0.434 20 0 CCADLP Cc1nc(N(C)C)nc(N(C)C2CC[NH2+]CC2)[nH+]1 ZINC000420143243 389957989 /nfs/dbraw/zinc/95/79/89/389957989.db2.gz WWKOKDYSCMJMGD-UHFFFAOYSA-N 2 2 250.350 0.434 20 0 CCADLP CC[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435622228 389959460 /nfs/dbraw/zinc/95/94/60/389959460.db2.gz CGJQHCDVOUSTNL-STQMWFEESA-N 2 2 298.431 0.043 20 0 CCADLP CC[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435622228 389959461 /nfs/dbraw/zinc/95/94/61/389959461.db2.gz CGJQHCDVOUSTNL-STQMWFEESA-N 2 2 298.431 0.043 20 0 CCADLP C[NH2+]C[C@H](C)CNc1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1 ZINC000420185031 389963364 /nfs/dbraw/zinc/96/33/64/389963364.db2.gz BEMMRSAMZLMELJ-AVGNSLFASA-N 2 2 293.415 0.951 20 0 CCADLP C[NH2+]C[C@H](C)CNc1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1 ZINC000420185031 389963367 /nfs/dbraw/zinc/96/33/67/389963367.db2.gz BEMMRSAMZLMELJ-AVGNSLFASA-N 2 2 293.415 0.951 20 0 CCADLP C[NH2+]C[C@@H](C)CNc1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000420212226 389966012 /nfs/dbraw/zinc/96/60/12/389966012.db2.gz TZQCHQYFKMQRIO-NEPJUHHUSA-N 2 2 279.388 0.705 20 0 CCADLP C[NH2+]C[C@@H](C)CNc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000420212226 389966015 /nfs/dbraw/zinc/96/60/15/389966015.db2.gz TZQCHQYFKMQRIO-NEPJUHHUSA-N 2 2 279.388 0.705 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000447825299 389966530 /nfs/dbraw/zinc/96/65/30/389966530.db2.gz CJQHMHKETKOMLZ-CYBMUJFWSA-N 2 2 283.416 0.507 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000447825299 389966532 /nfs/dbraw/zinc/96/65/32/389966532.db2.gz CJQHMHKETKOMLZ-CYBMUJFWSA-N 2 2 283.416 0.507 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433397095 389912374 /nfs/dbraw/zinc/91/23/74/389912374.db2.gz ICXDAWRYMCSDLD-JTQLQIEISA-N 2 2 289.343 0.164 20 0 CCADLP CC[C@@H](C(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1)[NH+](C)C ZINC000433464918 389915092 /nfs/dbraw/zinc/91/50/92/389915092.db2.gz YMQNPXYLXAFTLQ-STQMWFEESA-N 2 2 293.415 0.955 20 0 CCADLP Cc1nc2[nH]ccc2c(NC[C@@H]2C[N@@H+](C3CC3)CCO2)[nH+]1 ZINC000433782960 389919085 /nfs/dbraw/zinc/91/90/85/389919085.db2.gz MOOZNIWMMXXHKH-GFCCVEGCSA-N 2 2 287.367 0.963 20 0 CCADLP Cc1nc2[nH]ccc2c(NC[C@@H]2C[N@H+](C3CC3)CCO2)[nH+]1 ZINC000433782960 389919087 /nfs/dbraw/zinc/91/90/87/389919087.db2.gz MOOZNIWMMXXHKH-GFCCVEGCSA-N 2 2 287.367 0.963 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000447437402 389954910 /nfs/dbraw/zinc/95/49/10/389954910.db2.gz CZYVADHTOCUHKK-CJNGLKHVSA-N 2 2 291.395 0.697 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000447437402 389954912 /nfs/dbraw/zinc/95/49/12/389954912.db2.gz CZYVADHTOCUHKK-CJNGLKHVSA-N 2 2 291.395 0.697 20 0 CCADLP COC(=O)c1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000420287408 389978328 /nfs/dbraw/zinc/97/83/28/389978328.db2.gz GFLLRMOURAEYLR-NSHDSACASA-N 2 2 291.351 0.692 20 0 CCADLP COC(=O)c1ccccc1NC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000420287408 389978330 /nfs/dbraw/zinc/97/83/30/389978330.db2.gz GFLLRMOURAEYLR-NSHDSACASA-N 2 2 291.351 0.692 20 0 CCADLP CCOC(=O)[C@@H](CC)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420307052 389981493 /nfs/dbraw/zinc/98/14/93/389981493.db2.gz LRMUFORGRJDQAC-QWHCGFSZSA-N 2 2 297.399 0.224 20 0 CCADLP CCOC(=O)[C@@H](CC)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420307052 389981495 /nfs/dbraw/zinc/98/14/95/389981495.db2.gz LRMUFORGRJDQAC-QWHCGFSZSA-N 2 2 297.399 0.224 20 0 CCADLP Cc1cnc([C@@H](C)[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)o1 ZINC000420314714 389982931 /nfs/dbraw/zinc/98/29/31/389982931.db2.gz WCUDJTNDUIMZRT-CHWSQXEVSA-N 2 2 292.383 0.940 20 0 CCADLP Cc1cnc([C@@H](C)[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)o1 ZINC000420314714 389982932 /nfs/dbraw/zinc/98/29/32/389982932.db2.gz WCUDJTNDUIMZRT-CHWSQXEVSA-N 2 2 292.383 0.940 20 0 CCADLP CC(C)N(Cc1ccccc1)C(=O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000420350104 389988364 /nfs/dbraw/zinc/98/83/64/389988364.db2.gz FVTKTFDLYWEOEF-OAHLLOKOSA-N 2 2 293.411 0.675 20 0 CCADLP CC(C)N(Cc1ccccc1)C(=O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420350104 389988366 /nfs/dbraw/zinc/98/83/66/389988366.db2.gz FVTKTFDLYWEOEF-OAHLLOKOSA-N 2 2 293.411 0.675 20 0 CCADLP C[N@H+](C[C@H](O)C[NH3+])[C@H]1CCN(c2ccccc2F)C1=O ZINC000420349986 389988621 /nfs/dbraw/zinc/98/86/21/389988621.db2.gz FLXYHIMSELHCMP-MFKMUULPSA-N 2 2 281.331 0.182 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH3+])[C@H]1CCN(c2ccccc2F)C1=O ZINC000420349986 389988624 /nfs/dbraw/zinc/98/86/24/389988624.db2.gz FLXYHIMSELHCMP-MFKMUULPSA-N 2 2 281.331 0.182 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH3+])[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000420351053 389989237 /nfs/dbraw/zinc/98/92/37/389989237.db2.gz IXHBUAUCCVSWAQ-UONOGXRCSA-N 2 2 295.358 0.573 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH3+])[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000420351053 389989238 /nfs/dbraw/zinc/98/92/38/389989238.db2.gz IXHBUAUCCVSWAQ-UONOGXRCSA-N 2 2 295.358 0.573 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420355297 389990320 /nfs/dbraw/zinc/99/03/20/389990320.db2.gz CHFUYMQHYDAIBX-MRXNPFEDSA-N 2 2 297.443 0.995 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420355297 389990322 /nfs/dbraw/zinc/99/03/22/389990322.db2.gz CHFUYMQHYDAIBX-MRXNPFEDSA-N 2 2 297.443 0.995 20 0 CCADLP Cc1cc(NC(=O)C[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)n(C)n1 ZINC000420365486 389992774 /nfs/dbraw/zinc/99/27/74/389992774.db2.gz LFDBHBRBCZLFAG-DRCTWCGVSA-N 2 2 279.388 0.643 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)N(C)CC(F)(F)F ZINC000420368687 389993231 /nfs/dbraw/zinc/99/32/31/389993231.db2.gz NWZXRABCAHANEY-FXPVBKGRSA-N 2 2 281.322 0.983 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)[C@H](C)O1 ZINC000449396928 389993662 /nfs/dbraw/zinc/99/36/62/389993662.db2.gz NLRQMKVWICCLIU-RFGFWPKPSA-N 2 2 256.390 0.989 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2CCO)[C@H](C)O1 ZINC000449396928 389993665 /nfs/dbraw/zinc/99/36/65/389993665.db2.gz NLRQMKVWICCLIU-RFGFWPKPSA-N 2 2 256.390 0.989 20 0 CCADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+](C)CCC[NH2+]C ZINC000420390894 389996033 /nfs/dbraw/zinc/99/60/33/389996033.db2.gz RORBHKIUBBGEHM-ZDUSSCGKSA-N 2 2 299.415 0.472 20 0 CCADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC[NH2+]C ZINC000420390894 389996037 /nfs/dbraw/zinc/99/60/37/389996037.db2.gz RORBHKIUBBGEHM-ZDUSSCGKSA-N 2 2 299.415 0.472 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CCC[NH2+]C)CC1 ZINC000420390780 389996232 /nfs/dbraw/zinc/99/62/32/389996232.db2.gz QVEAEJAFSOTJQO-CYBMUJFWSA-N 3 2 270.421 0.080 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CCC[NH2+]C)CC1 ZINC000420390780 389996233 /nfs/dbraw/zinc/99/62/33/389996233.db2.gz QVEAEJAFSOTJQO-CYBMUJFWSA-N 3 2 270.421 0.080 20 0 CCADLP CCOC(=O)[C@H]([NH2+]CCC(=O)N1CC[NH2+]CC1)[C@H](C)CC ZINC000420391883 389996284 /nfs/dbraw/zinc/99/62/84/389996284.db2.gz BECSEXYIZULZLZ-TZMCWYRMSA-N 2 2 299.415 0.376 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456211456 390013575 /nfs/dbraw/zinc/01/35/75/390013575.db2.gz FVBYZIFNNHZIEH-FRRDWIJNSA-N 2 2 267.373 0.060 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456211456 390013576 /nfs/dbraw/zinc/01/35/76/390013576.db2.gz FVBYZIFNNHZIEH-FRRDWIJNSA-N 2 2 267.373 0.060 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456211456 390013577 /nfs/dbraw/zinc/01/35/77/390013577.db2.gz FVBYZIFNNHZIEH-FRRDWIJNSA-N 2 2 267.373 0.060 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456211456 390013578 /nfs/dbraw/zinc/01/35/78/390013578.db2.gz FVBYZIFNNHZIEH-FRRDWIJNSA-N 2 2 267.373 0.060 20 0 CCADLP CC[C@H](C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+](C)C ZINC000456207213 390013706 /nfs/dbraw/zinc/01/37/06/390013706.db2.gz SJKSOVPDGCQLPV-FRRDWIJNSA-N 2 2 269.389 0.306 20 0 CCADLP CC[C@H](C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+](C)C ZINC000456207213 390013707 /nfs/dbraw/zinc/01/37/07/390013707.db2.gz SJKSOVPDGCQLPV-FRRDWIJNSA-N 2 2 269.389 0.306 20 0 CCADLP COC[C@H]1C[N@H+](CCn2cc[nH+]c2C)C[C@H](C)O1 ZINC000439283852 390018774 /nfs/dbraw/zinc/01/87/74/390018774.db2.gz LDHLMPZOTMNIPE-WCQYABFASA-N 2 2 253.346 0.927 20 0 CCADLP COC[C@H]1C[N@@H+](CCn2cc[nH+]c2C)C[C@H](C)O1 ZINC000439283852 390018775 /nfs/dbraw/zinc/01/87/75/390018775.db2.gz LDHLMPZOTMNIPE-WCQYABFASA-N 2 2 253.346 0.927 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@H](C)[NH+](C)C)CCO1 ZINC000459049580 390068679 /nfs/dbraw/zinc/06/86/79/390068679.db2.gz ZLELVCUVVZYRSP-QWHCGFSZSA-N 2 2 286.420 0.347 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@H](C)[NH+](C)C)CCO1 ZINC000459049580 390068680 /nfs/dbraw/zinc/06/86/80/390068680.db2.gz ZLELVCUVVZYRSP-QWHCGFSZSA-N 2 2 286.420 0.347 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)NCc1[nH+]ccn1C ZINC000487652330 390088949 /nfs/dbraw/zinc/08/89/49/390088949.db2.gz NCPXVEDANODHAR-UHFFFAOYSA-N 2 2 276.344 0.848 20 0 CCADLP Cc1cccnc1/C=C\C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000493135257 390119207 /nfs/dbraw/zinc/11/92/07/390119207.db2.gz BGVPSHMEGPZZPB-SZZPACECSA-N 2 2 274.368 0.505 20 0 CCADLP Cc1cccnc1/C=C\C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000493135257 390119208 /nfs/dbraw/zinc/11/92/08/390119208.db2.gz BGVPSHMEGPZZPB-SZZPACECSA-N 2 2 274.368 0.505 20 0 CCADLP C[C@H](CNC(=O)/C=C/c1[nH]cc[nH+]1)C[NH+]1CCOCC1 ZINC000493143421 390119489 /nfs/dbraw/zinc/11/94/89/390119489.db2.gz BJCCEQQOPNWTSV-QAVQXKDTSA-N 2 2 278.356 0.507 20 0 CCADLP CC(C)(C[NH+]1CCOCC1)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493164870 390119942 /nfs/dbraw/zinc/11/99/42/390119942.db2.gz WJTNBQCHFUWGGP-ARJAWSKDSA-N 2 2 278.356 0.650 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000527648770 285357700 /nfs/dbraw/zinc/35/77/00/285357700.db2.gz HMSUWPYWRWPDBH-UHFFFAOYSA-N 2 2 285.351 0.935 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)NCC(F)(F)C[NH3+] ZINC000493329352 390123496 /nfs/dbraw/zinc/12/34/96/390123496.db2.gz WQPHQWSADODXRJ-ARJAWSKDSA-N 2 2 258.272 0.626 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000493484303 390126691 /nfs/dbraw/zinc/12/66/91/390126691.db2.gz LJAICFFUWPEXJF-RRNNCXACSA-N 2 2 276.340 0.115 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000493835383 390128487 /nfs/dbraw/zinc/12/84/87/390128487.db2.gz JBMJEMCVTZZPOR-ROUHBEFFSA-N 2 2 260.341 0.594 20 0 CCADLP C[C@H]1C[N@H+](CCNc2cc(NCC3CC3)[nH+]cn2)CCO1 ZINC000534609075 390129464 /nfs/dbraw/zinc/12/94/64/390129464.db2.gz NPXBDMJJCCUJBD-LBPRGKRZSA-N 2 2 291.399 0.853 20 0 CCADLP C[C@H]1C[N@@H+](CCNc2cc(NCC3CC3)[nH+]cn2)CCO1 ZINC000534609075 390129466 /nfs/dbraw/zinc/12/94/66/390129466.db2.gz NPXBDMJJCCUJBD-LBPRGKRZSA-N 2 2 291.399 0.853 20 0 CCADLP CCO[C@H](CC[NH+](C)C)CNC(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493858625 390130132 /nfs/dbraw/zinc/13/01/32/390130132.db2.gz SQFOFLHHHZSVOI-FOQNGQEVSA-N 2 2 280.372 0.896 20 0 CCADLP COCc1ccccc1CNC(=O)C[N@H+](C)CCC[NH3+] ZINC000647848078 390191482 /nfs/dbraw/zinc/19/14/82/390191482.db2.gz CKOUEWMHNWAAFJ-UHFFFAOYSA-N 2 2 279.384 0.730 20 0 CCADLP COCc1noc(C[NH+]2CCC(CC[NH3+])CC2)n1 ZINC000579116579 390142396 /nfs/dbraw/zinc/14/23/96/390142396.db2.gz DDGAEGKCETUYAM-UHFFFAOYSA-N 2 2 254.334 0.777 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000527677373 285360014 /nfs/dbraw/zinc/36/00/14/285360014.db2.gz KBHJUFHHOSCHBW-UHFFFAOYSA-N 2 2 280.372 0.419 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535314058 390143073 /nfs/dbraw/zinc/14/30/73/390143073.db2.gz PUNBQBYCSPEWDC-WDEREUQCSA-N 2 2 262.357 0.877 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535314058 390143075 /nfs/dbraw/zinc/14/30/75/390143075.db2.gz PUNBQBYCSPEWDC-WDEREUQCSA-N 2 2 262.357 0.877 20 0 CCADLP COCc1ccccc1CNC(=O)C[N@@H+](C)CCC[NH3+] ZINC000647848078 390191484 /nfs/dbraw/zinc/19/14/84/390191484.db2.gz CKOUEWMHNWAAFJ-UHFFFAOYSA-N 2 2 279.384 0.730 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000644153352 390150159 /nfs/dbraw/zinc/15/01/59/390150159.db2.gz MDWVDYLNLYWAIS-SECBINFHSA-N 2 2 272.299 0.623 20 0 CCADLP C[N@@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000535834844 390154289 /nfs/dbraw/zinc/15/42/89/390154289.db2.gz WRLMZOFHSZIJSJ-NSHDSACASA-N 2 2 262.357 0.994 20 0 CCADLP C[N@H+]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000535834844 390154290 /nfs/dbraw/zinc/15/42/90/390154290.db2.gz WRLMZOFHSZIJSJ-NSHDSACASA-N 2 2 262.357 0.994 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000536068272 390157124 /nfs/dbraw/zinc/15/71/24/390157124.db2.gz YUFFUUHHTHPBPL-STQMWFEESA-N 2 2 292.383 0.505 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000536068272 390157126 /nfs/dbraw/zinc/15/71/26/390157126.db2.gz YUFFUUHHTHPBPL-STQMWFEESA-N 2 2 292.383 0.505 20 0 CCADLP CCO[C@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000579465017 390174849 /nfs/dbraw/zinc/17/48/49/390174849.db2.gz GNAIUCJJUBRHLZ-ZSAUSMIDSA-N 2 2 286.416 0.614 20 0 CCADLP OCCC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647798308 390174867 /nfs/dbraw/zinc/17/48/67/390174867.db2.gz PFBUNMQQJQBVIT-QXSJWSMHSA-N 3 2 281.444 0.811 20 0 CCADLP OCCC[N@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647798308 390174871 /nfs/dbraw/zinc/17/48/71/390174871.db2.gz PFBUNMQQJQBVIT-QXSJWSMHSA-N 3 2 281.444 0.811 20 0 CCADLP Cc1cc(CO)cc(NCC(C)(C)[NH+]2CCOCC2)[nH+]1 ZINC000647846379 390190794 /nfs/dbraw/zinc/19/07/94/390190794.db2.gz BGXNBMPGRMTOQP-UHFFFAOYSA-N 2 2 279.384 0.827 20 0 CCADLP O=C(C[N@H+](C1CC1)C1CC[NH2+]CC1)N1CCCC1 ZINC000647814810 390179102 /nfs/dbraw/zinc/17/91/02/390179102.db2.gz HFEABMOYQCTYAF-UHFFFAOYSA-N 2 2 251.374 0.825 20 0 CCADLP O=C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)N1CCCC1 ZINC000647814810 390179106 /nfs/dbraw/zinc/17/91/06/390179106.db2.gz HFEABMOYQCTYAF-UHFFFAOYSA-N 2 2 251.374 0.825 20 0 CCADLP C[N@@H+]1CCO[C@@H](CSCC[NH+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000579710046 390200243 /nfs/dbraw/zinc/20/02/43/390200243.db2.gz WQPGIARDBKYUHE-HZSPNIEDSA-N 2 2 286.441 0.913 20 0 CCADLP C[N@H+]1CCO[C@@H](CSCC[NH+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000579710046 390200246 /nfs/dbraw/zinc/20/02/46/390200246.db2.gz WQPGIARDBKYUHE-HZSPNIEDSA-N 2 2 286.441 0.913 20 0 CCADLP C[NH+]1CCO[C@@H](CSCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000579710046 390200249 /nfs/dbraw/zinc/20/02/49/390200249.db2.gz WQPGIARDBKYUHE-HZSPNIEDSA-N 2 2 286.441 0.913 20 0 CCADLP C[NH+]1CCO[C@@H](CSCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000579710046 390200253 /nfs/dbraw/zinc/20/02/53/390200253.db2.gz WQPGIARDBKYUHE-HZSPNIEDSA-N 2 2 286.441 0.913 20 0 CCADLP CCCC[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCS(=O)(=O)C1 ZINC000647871201 390201147 /nfs/dbraw/zinc/20/11/47/390201147.db2.gz YTCWXTCUBOSGQF-CHWSQXEVSA-N 2 2 274.430 0.885 20 0 CCADLP CCCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCS(=O)(=O)C1 ZINC000647871201 390201149 /nfs/dbraw/zinc/20/11/49/390201149.db2.gz YTCWXTCUBOSGQF-CHWSQXEVSA-N 2 2 274.430 0.885 20 0 CCADLP CC(C)N1C(=O)C[N@H+](C[C@H]2CC[NH2+]C2)CC1(C)C ZINC000647886087 390207852 /nfs/dbraw/zinc/20/78/52/390207852.db2.gz PQHAZFQDCWMYNQ-LBPRGKRZSA-N 2 2 253.390 0.927 20 0 CCADLP CC(C)N1C(=O)C[N@@H+](C[C@H]2CC[NH2+]C2)CC1(C)C ZINC000647886087 390207854 /nfs/dbraw/zinc/20/78/54/390207854.db2.gz PQHAZFQDCWMYNQ-LBPRGKRZSA-N 2 2 253.390 0.927 20 0 CCADLP O=S1(=O)CC[C@H](C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)C1 ZINC000647903731 390212370 /nfs/dbraw/zinc/21/23/70/390212370.db2.gz OWNKHEUAYZVUMX-HZSPNIEDSA-N 2 2 286.441 0.885 20 0 CCADLP O=S1(=O)CC[C@H](C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)C1 ZINC000647903731 390212374 /nfs/dbraw/zinc/21/23/74/390212374.db2.gz OWNKHEUAYZVUMX-HZSPNIEDSA-N 2 2 286.441 0.885 20 0 CCADLP C[NH2+]CCC1CC[NH+](CC(=O)Nc2ccon2)CC1 ZINC000647906359 390213334 /nfs/dbraw/zinc/21/33/34/390213334.db2.gz UDFRUHJDIPFOSK-UHFFFAOYSA-N 2 2 266.345 0.357 20 0 CCADLP Cc1noc([C@@H](C)[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)n1 ZINC000647909619 390214708 /nfs/dbraw/zinc/21/47/08/390214708.db2.gz JQJFRNKZZDYFCI-ZYHUDNBSSA-N 2 2 293.371 0.335 20 0 CCADLP Cc1noc([C@@H](C)[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)n1 ZINC000647909619 390214711 /nfs/dbraw/zinc/21/47/11/390214711.db2.gz JQJFRNKZZDYFCI-ZYHUDNBSSA-N 2 2 293.371 0.335 20 0 CCADLP CC[C@H]1CN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC[C@H]1[NH3+] ZINC000647934828 390221904 /nfs/dbraw/zinc/22/19/04/390221904.db2.gz RXORYFXPTZVWFQ-BYNSBNAKSA-N 2 2 267.417 0.909 20 0 CCADLP CC[C@H]1CN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC[C@H]1[NH3+] ZINC000647934828 390221906 /nfs/dbraw/zinc/22/19/06/390221906.db2.gz RXORYFXPTZVWFQ-BYNSBNAKSA-N 2 2 267.417 0.909 20 0 CCADLP CN(CCC(=O)NCCn1cc[nH+]c1)c1cc[nH+]cc1 ZINC000540928720 390229527 /nfs/dbraw/zinc/22/95/27/390229527.db2.gz QQCROHVEHLPHEW-UHFFFAOYSA-N 2 2 273.340 0.921 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000647865740 390198383 /nfs/dbraw/zinc/19/83/83/390198383.db2.gz RPLAOHMQTMHVBJ-OCCSQVGLSA-N 3 2 255.406 0.814 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000647865740 390198384 /nfs/dbraw/zinc/19/83/84/390198384.db2.gz RPLAOHMQTMHVBJ-OCCSQVGLSA-N 3 2 255.406 0.814 20 0 CCADLP [NH3+]C1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000580309701 390236645 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CC(C)[N@@H+](C)C[C@H](O)C[NH+](CC(N)=O)C(C)(C)C ZINC000647967236 390234000 /nfs/dbraw/zinc/23/40/00/390234000.db2.gz ZWZYFMQQMYPNSN-NSHDSACASA-N 2 2 259.394 0.273 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](CC(N)=O)C(C)(C)C ZINC000647967236 390234001 /nfs/dbraw/zinc/23/40/01/390234001.db2.gz ZWZYFMQQMYPNSN-NSHDSACASA-N 2 2 259.394 0.273 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](CC(N)=O)C(C)(C)C ZINC000647967236 390234004 /nfs/dbraw/zinc/23/40/04/390234004.db2.gz ZWZYFMQQMYPNSN-NSHDSACASA-N 2 2 259.394 0.273 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)CC[C@H]1[NH3+] ZINC000648126426 390296351 /nfs/dbraw/zinc/29/63/51/390296351.db2.gz JBNCKFUWHCIFRD-MGPQQGTHSA-N 2 2 282.432 0.208 20 0 CCADLP CN1C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)CC1=O ZINC000644535585 390247649 /nfs/dbraw/zinc/24/76/49/390247649.db2.gz WDNNDIKOWVITSU-GJZGRUSLSA-N 2 2 291.395 0.300 20 0 CCADLP CN1C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC1=O ZINC000644535585 390247654 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COC(=O)N1CCC([NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000495990945 390279365 /nfs/dbraw/zinc/27/93/65/390279365.db2.gz RKRUZBOMZRPDAS-CMPLNLGQSA-N 2 2 255.362 0.757 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCCN2CCOCC2)C1 ZINC000545178492 390316813 /nfs/dbraw/zinc/31/68/13/390316813.db2.gz GDBUQJZMCHCVEM-CQSZACIVSA-N 2 2 278.400 0.932 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCCN2CCOCC2)C1 ZINC000545178492 390316816 /nfs/dbraw/zinc/31/68/16/390316816.db2.gz GDBUQJZMCHCVEM-CQSZACIVSA-N 2 2 278.400 0.932 20 0 CCADLP O=C1NCC[C@]12CCC[N@@H+]2CCC[NH+]1CCCC1 ZINC000583942941 390326581 /nfs/dbraw/zinc/32/65/81/390326581.db2.gz SJICUZVKDGVNQD-CQSZACIVSA-N 2 2 251.374 0.827 20 0 CCADLP O=C1NCC[C@]12CCC[N@H+]2CCC[NH+]1CCCC1 ZINC000583942941 390326583 /nfs/dbraw/zinc/32/65/83/390326583.db2.gz SJICUZVKDGVNQD-CQSZACIVSA-N 2 2 251.374 0.827 20 0 CCADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3CCCCC[NH2+]3)C[C@@H]21 ZINC000583995496 390332119 /nfs/dbraw/zinc/33/21/19/390332119.db2.gz LIFQNNPYZLKMQU-HZSPNIEDSA-N 2 2 281.400 0.450 20 0 CCADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3CCCCC[NH2+]3)C[C@@H]21 ZINC000583995496 390332124 /nfs/dbraw/zinc/33/21/24/390332124.db2.gz LIFQNNPYZLKMQU-HZSPNIEDSA-N 2 2 281.400 0.450 20 0 CCADLP CCOC[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000584002264 390332523 /nfs/dbraw/zinc/33/25/23/390332523.db2.gz RIPBWQJNUTXRQT-KGLIPLIRSA-N 2 2 274.405 0.284 20 0 CCADLP CCOC[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000584002264 390332525 /nfs/dbraw/zinc/33/25/25/390332525.db2.gz RIPBWQJNUTXRQT-KGLIPLIRSA-N 2 2 274.405 0.284 20 0 CCADLP CCOC[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000584002264 390332529 /nfs/dbraw/zinc/33/25/29/390332529.db2.gz RIPBWQJNUTXRQT-KGLIPLIRSA-N 2 2 274.405 0.284 20 0 CCADLP CCOC[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000584002264 390332532 /nfs/dbraw/zinc/33/25/32/390332532.db2.gz RIPBWQJNUTXRQT-KGLIPLIRSA-N 2 2 274.405 0.284 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@H]1c2ccccc2C[C@H]1O)C1CC1 ZINC000584470256 390347001 /nfs/dbraw/zinc/34/70/01/390347001.db2.gz RBXAIHHAVKCIOV-IMJJTQAJSA-N 2 2 276.380 0.689 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1c2ccccc2C[C@H]1O)C1CC1 ZINC000584470256 390347004 /nfs/dbraw/zinc/34/70/04/390347004.db2.gz RBXAIHHAVKCIOV-IMJJTQAJSA-N 2 2 276.380 0.689 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@H]1[NH2+]CC1(C)C)[NH+]1CCOCC1 ZINC000645302728 390406840 /nfs/dbraw/zinc/40/68/40/390406840.db2.gz RNTNRQDKZMINOV-CHWSQXEVSA-N 2 2 283.416 0.457 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000554612667 390436490 /nfs/dbraw/zinc/43/64/90/390436490.db2.gz HDOQOLGZZVSSDA-JTQLQIEISA-N 2 2 289.339 0.339 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)CC[NH+]1CCN(CC)CC1 ZINC000554635245 390437487 /nfs/dbraw/zinc/43/74/87/390437487.db2.gz BYPRCUGIYVTXNJ-HNNXBMFYSA-N 2 2 296.459 0.567 20 0 CCADLP CC[N@H+]1CC[C@H]2OCCN(Cc3c[nH+]c[nH]3)[C@H]2C1 ZINC000645181270 390383504 /nfs/dbraw/zinc/38/35/04/390383504.db2.gz FWFXJRKCFHQJAY-QWHCGFSZSA-N 2 2 250.346 0.705 20 0 CCADLP CC[N@@H+]1CC[C@H]2OCCN(Cc3c[nH]c[nH+]3)[C@H]2C1 ZINC000645181270 390383507 /nfs/dbraw/zinc/38/35/07/390383507.db2.gz FWFXJRKCFHQJAY-QWHCGFSZSA-N 2 2 250.346 0.705 20 0 CCADLP CC[N@H+]1CC[C@H]2OCCN(Cc3c[nH]c[nH+]3)[C@H]2C1 ZINC000645181270 390383509 /nfs/dbraw/zinc/38/35/09/390383509.db2.gz FWFXJRKCFHQJAY-QWHCGFSZSA-N 2 2 250.346 0.705 20 0 CCADLP CCOC(=O)N[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000496919796 390385119 /nfs/dbraw/zinc/38/51/19/390385119.db2.gz KEHGDAUPLAPKAZ-JSGCOSHPSA-N 2 2 299.415 0.652 20 0 CCADLP CCOC(=O)N[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000496919796 390385122 /nfs/dbraw/zinc/38/51/22/390385122.db2.gz KEHGDAUPLAPKAZ-JSGCOSHPSA-N 2 2 299.415 0.652 20 0 CCADLP CCOC(=O)N[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000496919796 390385126 /nfs/dbraw/zinc/38/51/26/390385126.db2.gz KEHGDAUPLAPKAZ-JSGCOSHPSA-N 2 2 299.415 0.652 20 0 CCADLP CCOC(=O)N[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000496919796 390385130 /nfs/dbraw/zinc/38/51/30/390385130.db2.gz KEHGDAUPLAPKAZ-JSGCOSHPSA-N 2 2 299.415 0.652 20 0 CCADLP Nc1nc(N[C@H]2CCn3cc[nH+]c3C2)c2c([nH+]1)CCCC2 ZINC000645215512 390389270 /nfs/dbraw/zinc/38/92/70/390389270.db2.gz XPGAFHYMKWKEKC-JTQLQIEISA-N 2 2 284.367 0.813 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCCNc1cccc[nH+]1 ZINC000547675366 390390777 /nfs/dbraw/zinc/39/07/77/390390777.db2.gz DXMCFRBDULRIQH-UHFFFAOYSA-N 2 2 273.340 0.976 20 0 CCADLP CCOC(=O)N1CC[C@H]([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000496948779 390391343 /nfs/dbraw/zinc/39/13/43/390391343.db2.gz XHFCTVLOWPTRAF-MJBXVCDLSA-N 2 2 297.399 0.574 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])CCO1 ZINC000565364715 390507366 /nfs/dbraw/zinc/50/73/66/390507366.db2.gz VLMNEUVIERDUMD-HZSPNIEDSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])CCO1 ZINC000565364715 390507367 /nfs/dbraw/zinc/50/73/67/390507367.db2.gz VLMNEUVIERDUMD-HZSPNIEDSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000643472122 390451498 /nfs/dbraw/zinc/45/14/98/390451498.db2.gz UBINSECDDDBLMN-MRVWCRGKSA-N 2 2 278.400 0.840 20 0 CCADLP [NH3+]CCOCC(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000645727456 390480202 /nfs/dbraw/zinc/48/02/02/390480202.db2.gz USLGCEVHKOUKFY-UHFFFAOYSA-N 2 2 293.367 0.433 20 0 CCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H](C)[N@H+]1CCO ZINC000556674371 390484638 /nfs/dbraw/zinc/48/46/38/390484638.db2.gz JWJIWJQLRJVKHJ-TXEJJXNPSA-N 2 2 294.399 0.601 20 0 CCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H](C)[N@@H+]1CCO ZINC000556674371 390484642 /nfs/dbraw/zinc/48/46/42/390484642.db2.gz JWJIWJQLRJVKHJ-TXEJJXNPSA-N 2 2 294.399 0.601 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@]1(C)CCC[NH2+]1)[NH+]1CCOCC1 ZINC000649323149 390581178 /nfs/dbraw/zinc/58/11/78/390581178.db2.gz IZVZTVXXNQBJOG-SCRDCRAPSA-N 2 2 269.389 0.354 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000649209438 390523207 /nfs/dbraw/zinc/52/32/07/390523207.db2.gz ZXVPSKLBAMRGAE-NEPJUHHUSA-N 2 2 273.340 0.847 20 0 CCADLP CC[N@H+](C)C[C@H](O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000565636567 390530835 /nfs/dbraw/zinc/53/08/35/390530835.db2.gz GLNJMLANCRDUCS-INIZCTEOSA-N 2 2 292.427 0.512 20 0 CCADLP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000565636567 390530839 /nfs/dbraw/zinc/53/08/39/390530839.db2.gz GLNJMLANCRDUCS-INIZCTEOSA-N 2 2 292.427 0.512 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000519714877 390533968 /nfs/dbraw/zinc/53/39/68/390533968.db2.gz WLZCUUNQCCLCJY-ZDUSSCGKSA-N 2 2 294.399 0.769 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000645944345 390542054 /nfs/dbraw/zinc/54/20/54/390542054.db2.gz JYGSQODZXRNKOB-GXTWGEPZSA-N 2 2 291.399 0.062 20 0 CCADLP Cc1nc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@@H]3[NH3+])CC2)cs1 ZINC000643778169 390542530 /nfs/dbraw/zinc/54/25/30/390542530.db2.gz JTOXKJAZTSFEIF-OLZOCXBDSA-N 2 2 294.424 0.833 20 0 CCADLP Cc1nc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@@H]3[NH3+])CC2)cs1 ZINC000643778169 390542531 /nfs/dbraw/zinc/54/25/31/390542531.db2.gz JTOXKJAZTSFEIF-OLZOCXBDSA-N 2 2 294.424 0.833 20 0 CCADLP C[C@H]([NH3+])C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000646033418 390578040 /nfs/dbraw/zinc/57/80/40/390578040.db2.gz HWJRZFKZHMADFD-JTQLQIEISA-N 2 2 258.325 0.532 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000566479595 390620239 /nfs/dbraw/zinc/62/02/39/390620239.db2.gz QZQKIPKRKYQMID-NSHDSACASA-N 2 2 277.372 0.990 20 0 CCADLP COc1c(N)nc[nH+]c1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000566479595 390620241 /nfs/dbraw/zinc/62/02/41/390620241.db2.gz QZQKIPKRKYQMID-NSHDSACASA-N 2 2 277.372 0.990 20 0 CCADLP C[C@@H]([NH3+])CCNc1cc(NCC[C@@H](C)[NH3+])[nH+]cn1 ZINC000522013431 390622177 /nfs/dbraw/zinc/62/21/77/390622177.db2.gz HVCJZMQWIBZKKB-NXEZZACHSA-N 3 2 252.366 0.197 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000566505910 390624565 /nfs/dbraw/zinc/62/45/65/390624565.db2.gz UZZFDHWWQXNGHI-RKDXNWHRSA-N 2 2 275.312 0.125 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000566508969 390625363 /nfs/dbraw/zinc/62/53/63/390625363.db2.gz NUYDGXVGBZYWCV-IJLUTSLNSA-N 2 2 277.372 0.939 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000566508969 390625365 /nfs/dbraw/zinc/62/53/65/390625365.db2.gz NUYDGXVGBZYWCV-IJLUTSLNSA-N 2 2 277.372 0.939 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CC2(CCO)CC2)C[C@@H](C)O1 ZINC000566796710 390648892 /nfs/dbraw/zinc/64/88/92/390648892.db2.gz AUNPXKWREFNOLI-MCIONIFRSA-N 2 2 286.416 0.209 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000566827893 390651462 /nfs/dbraw/zinc/65/14/62/390651462.db2.gz DWFPWVBYRONDAU-JTQLQIEISA-N 2 2 263.345 0.456 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000566827893 390651468 /nfs/dbraw/zinc/65/14/68/390651468.db2.gz DWFPWVBYRONDAU-JTQLQIEISA-N 2 2 263.345 0.456 20 0 CCADLP COCC[NH2+]CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000646265461 390654091 /nfs/dbraw/zinc/65/40/91/390654091.db2.gz ZXHYTVRIRVSRNF-GFCCVEGCSA-N 2 2 278.356 0.013 20 0 CCADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NCc1cccnc1 ZINC000566412799 390598011 /nfs/dbraw/zinc/59/80/11/390598011.db2.gz LBWXRRXFSFFEAB-WCQYABFASA-N 2 2 262.357 0.509 20 0 CCADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NCc1cccnc1 ZINC000566412799 390598018 /nfs/dbraw/zinc/59/80/18/390598018.db2.gz LBWXRRXFSFFEAB-WCQYABFASA-N 2 2 262.357 0.509 20 0 CCADLP C[NH+]1CCC2(CC1)C[N@H+](C[C@H](O)C(F)(F)F)CCO2 ZINC000646106361 390599722 /nfs/dbraw/zinc/59/97/22/390599722.db2.gz VZQRGXLMPMIHLG-JTQLQIEISA-N 2 2 282.306 0.706 20 0 CCADLP C[NH+]1CCC2(CC1)C[N@@H+](C[C@H](O)C(F)(F)F)CCO2 ZINC000646106361 390599729 /nfs/dbraw/zinc/59/97/29/390599729.db2.gz VZQRGXLMPMIHLG-JTQLQIEISA-N 2 2 282.306 0.706 20 0 CCADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1cc[nH]n1)CCO2 ZINC000646106781 390600451 /nfs/dbraw/zinc/60/04/51/390600451.db2.gz SDMOPNKCRCYZQP-UHFFFAOYSA-N 2 2 250.346 0.706 20 0 CCADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cc[nH]n1)CCO2 ZINC000646106781 390600456 /nfs/dbraw/zinc/60/04/56/390600456.db2.gz SDMOPNKCRCYZQP-UHFFFAOYSA-N 2 2 250.346 0.706 20 0 CCADLP C[C@@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)[NH+]1CCOCC1 ZINC000521268431 390603215 /nfs/dbraw/zinc/60/32/15/390603215.db2.gz HLNSGDPDPWLGOT-SOUVJXGZSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)[NH+]1CCOCC1 ZINC000521268431 390603219 /nfs/dbraw/zinc/60/32/19/390603219.db2.gz HLNSGDPDPWLGOT-SOUVJXGZSA-N 2 2 295.427 0.650 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@H]2[NH2+]CC2(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000646115358 390605708 /nfs/dbraw/zinc/60/57/08/390605708.db2.gz OXAWGQRDXRQCAB-HZSPNIEDSA-N 2 2 295.427 0.554 20 0 CCADLP CSC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000567613106 390706806 /nfs/dbraw/zinc/70/68/06/390706806.db2.gz NKRWTIYQYVRBOS-VXGBXAGGSA-N 2 2 262.419 0.147 20 0 CCADLP CSC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000567613106 390706808 /nfs/dbraw/zinc/70/68/08/390706808.db2.gz NKRWTIYQYVRBOS-VXGBXAGGSA-N 2 2 262.419 0.147 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000646679099 390707874 /nfs/dbraw/zinc/70/78/74/390707874.db2.gz UKATZJSMXLHOBV-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000646679099 390707875 /nfs/dbraw/zinc/70/78/75/390707875.db2.gz UKATZJSMXLHOBV-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP CCc1cccc(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000570925397 390724330 /nfs/dbraw/zinc/72/43/30/390724330.db2.gz WUHZFUAJCPCWHG-HNNXBMFYSA-N 2 2 275.396 0.893 20 0 CCADLP CCc1cccc(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000570925397 390724331 /nfs/dbraw/zinc/72/43/31/390724331.db2.gz WUHZFUAJCPCWHG-HNNXBMFYSA-N 2 2 275.396 0.893 20 0 CCADLP C[C@@H](NC(=O)CC(C)(C)C)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000646835524 390726168 /nfs/dbraw/zinc/72/61/68/390726168.db2.gz XVAUADSBLHPGBU-NEPJUHHUSA-N 2 2 298.431 0.029 20 0 CCADLP C[C@@H](NC(=O)CC(C)(C)C)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000646835524 390726170 /nfs/dbraw/zinc/72/61/70/390726170.db2.gz XVAUADSBLHPGBU-NEPJUHHUSA-N 2 2 298.431 0.029 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2CCCSC2)C[C@H](C)O1 ZINC000567103491 390671610 /nfs/dbraw/zinc/67/16/10/390671610.db2.gz FPWWCMQXBOIUJP-XJFOESAGSA-N 2 2 288.457 0.942 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2CCCSC2)C[C@H](C)O1 ZINC000567103491 390671612 /nfs/dbraw/zinc/67/16/12/390671612.db2.gz FPWWCMQXBOIUJP-XJFOESAGSA-N 2 2 288.457 0.942 20 0 CCADLP C[C@H]1C[NH+](CCCCNC(=O)Cn2cc[nH+]c2)C[C@H](C)O1 ZINC000567166405 390677053 /nfs/dbraw/zinc/67/70/53/390677053.db2.gz PVZYLNQNFMANJX-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@@H](O)COCc1cccs1 ZINC000567353050 390694127 /nfs/dbraw/zinc/69/41/27/390694127.db2.gz YGUXQKMOFBFQDF-VXGBXAGGSA-N 2 2 288.413 0.138 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCN1C(=O)NC2(CCCC2)C1=O ZINC000571753019 390750884 /nfs/dbraw/zinc/75/08/84/390750884.db2.gz KFSGZGAPDGJNII-NWDGAFQWSA-N 2 2 294.399 0.439 20 0 CCADLP Cc1csc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000571778306 390753121 /nfs/dbraw/zinc/75/31/21/390753121.db2.gz WWTCHCASQVHFQT-LLVKDONJSA-N 2 2 282.413 0.841 20 0 CCADLP Cc1csc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000571778306 390753122 /nfs/dbraw/zinc/75/31/22/390753122.db2.gz WWTCHCASQVHFQT-LLVKDONJSA-N 2 2 282.413 0.841 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000571794138 390753441 /nfs/dbraw/zinc/75/34/41/390753441.db2.gz JXZLBMDVIUFYAM-ZDUSSCGKSA-N 2 2 269.389 0.167 20 0 CCADLP O=C(NCCn1cc[nH+]c1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000571797336 390753743 /nfs/dbraw/zinc/75/37/43/390753743.db2.gz UJNLDWCQAUIHOT-CYBMUJFWSA-N 2 2 288.355 0.434 20 0 CCADLP C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC000647035296 390762105 /nfs/dbraw/zinc/76/21/05/390762105.db2.gz WTIRUGLJOUNJPX-CJNGLKHVSA-N 2 2 288.395 1.000 20 0 CCADLP C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC000647035296 390762106 /nfs/dbraw/zinc/76/21/06/390762106.db2.gz WTIRUGLJOUNJPX-CJNGLKHVSA-N 2 2 288.395 1.000 20 0 CCADLP O=C(NCc1ccn2cc[nH+]c2c1)NC[C@@H]1COCC[NH2+]1 ZINC000529317842 390806381 /nfs/dbraw/zinc/80/63/81/390806381.db2.gz PQNMNFPJZUCSCB-GFCCVEGCSA-N 2 2 289.339 0.122 20 0 CCADLP CO[C@H]1C[C@@H](c2nc([C@H]3CCC[NH2+]3)no2)[N@H+](C)C1 ZINC000647144770 390780162 /nfs/dbraw/zinc/78/01/62/390780162.db2.gz FTZGMQPRQUPLPY-AEJSXWLSSA-N 2 2 252.318 0.886 20 0 CCADLP CO[C@H]1C[C@@H](c2nc([C@H]3CCC[NH2+]3)no2)[N@@H+](C)C1 ZINC000647144770 390780163 /nfs/dbraw/zinc/78/01/63/390780163.db2.gz FTZGMQPRQUPLPY-AEJSXWLSSA-N 2 2 252.318 0.886 20 0 CCADLP Cc1nc(CCNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cs1 ZINC000572585487 390790461 /nfs/dbraw/zinc/79/04/61/390790461.db2.gz RCGMPNGGHNPWKC-LBPRGKRZSA-N 2 2 297.428 0.278 20 0 CCADLP Cc1nc(CCNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cs1 ZINC000572585487 390790466 /nfs/dbraw/zinc/79/04/66/390790466.db2.gz RCGMPNGGHNPWKC-LBPRGKRZSA-N 2 2 297.428 0.278 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CC(C)(C)[C@]2(O)CCOC2)n1C ZINC000647247214 390796967 /nfs/dbraw/zinc/79/69/67/390796967.db2.gz CYXBHPRRAPVEPT-HNNXBMFYSA-N 2 2 296.415 0.753 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)Cn2c[nH+]cc2C)CCO1 ZINC000529198190 390797623 /nfs/dbraw/zinc/79/76/23/390797623.db2.gz PCNILNSBEQNSST-CYBMUJFWSA-N 2 2 280.372 0.419 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)Cn2c[nH+]cc2C)CCO1 ZINC000529198190 390797627 /nfs/dbraw/zinc/79/76/27/390797627.db2.gz PCNILNSBEQNSST-CYBMUJFWSA-N 2 2 280.372 0.419 20 0 CCADLP OCC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000571464330 390737472 /nfs/dbraw/zinc/73/74/72/390737472.db2.gz RWMYDKCKSLXNQR-HZPDHXFCSA-N 2 2 299.459 0.270 20 0 CCADLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000571485458 390737975 /nfs/dbraw/zinc/73/79/75/390737975.db2.gz BSQWJPLLEPUYDX-NEPJUHHUSA-N 2 2 274.368 0.798 20 0 CCADLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000571485458 390737977 /nfs/dbraw/zinc/73/79/77/390737977.db2.gz BSQWJPLLEPUYDX-NEPJUHHUSA-N 2 2 274.368 0.798 20 0 CCADLP O[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)CC1(O)CCC1 ZINC000528386726 390740029 /nfs/dbraw/zinc/74/00/29/390740029.db2.gz DFOKIZGFIDWFMN-HUUCEWRRSA-N 2 2 298.427 0.307 20 0 CCADLP O[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)CC1(O)CCC1 ZINC000528386726 390740031 /nfs/dbraw/zinc/74/00/31/390740031.db2.gz DFOKIZGFIDWFMN-HUUCEWRRSA-N 2 2 298.427 0.307 20 0 CCADLP CC(C)OC[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000578064253 390861909 /nfs/dbraw/zinc/86/19/09/390861909.db2.gz ZYRIEUGRRDQWNM-OUCADQQQSA-N 2 2 256.390 0.987 20 0 CCADLP CC(C)OC[C@H](O)C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000578064253 390861912 /nfs/dbraw/zinc/86/19/12/390861912.db2.gz ZYRIEUGRRDQWNM-OUCADQQQSA-N 2 2 256.390 0.987 20 0 CCADLP C[N@@H+]1CCN(C(=O)C2=Cc3ccccc3OC2)[C@H](C[NH3+])C1 ZINC000572876502 390808969 /nfs/dbraw/zinc/80/89/69/390808969.db2.gz IXYSVRZQBIAEIZ-CQSZACIVSA-N 2 2 287.363 0.564 20 0 CCADLP C[N@H+]1CCN(C(=O)C2=Cc3ccccc3OC2)[C@H](C[NH3+])C1 ZINC000572876502 390808973 /nfs/dbraw/zinc/80/89/73/390808973.db2.gz IXYSVRZQBIAEIZ-CQSZACIVSA-N 2 2 287.363 0.564 20 0 CCADLP O=C(NCc1cn2c([nH+]1)CCCC2)[C@]12C[C@H]1CC[NH2+]2 ZINC000573003906 390819198 /nfs/dbraw/zinc/81/91/98/390819198.db2.gz FMKKELOGRNJWMM-YGRLFVJLSA-N 2 2 260.341 0.588 20 0 CCADLP O=C(NC[C@H]1COCC[NH2+]1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000529376501 390823872 /nfs/dbraw/zinc/82/38/72/390823872.db2.gz RHUIEGOKECQEOQ-LBPRGKRZSA-N 2 2 293.371 0.287 20 0 CCADLP O=C(NC[C@H]1COCC[NH2+]1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000529376501 390823874 /nfs/dbraw/zinc/82/38/74/390823874.db2.gz RHUIEGOKECQEOQ-LBPRGKRZSA-N 2 2 293.371 0.287 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC2CC(F)(F)C2)[C@H](C[NH3+])C1 ZINC000574975820 390828740 /nfs/dbraw/zinc/82/87/40/390828740.db2.gz KSQZTGAOWQLGBG-SNVBAGLBSA-N 2 2 276.331 0.316 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC2CC(F)(F)C2)[C@H](C[NH3+])C1 ZINC000574975820 390828742 /nfs/dbraw/zinc/82/87/42/390828742.db2.gz KSQZTGAOWQLGBG-SNVBAGLBSA-N 2 2 276.331 0.316 20 0 CCADLP NC(=O)CC[NH2+]C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000647532358 390834988 /nfs/dbraw/zinc/83/49/88/390834988.db2.gz VLLPEZCSBNZNTC-UONOGXRCSA-N 2 2 277.368 0.087 20 0 CCADLP NC(=O)CC[NH2+]C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000647532358 390834993 /nfs/dbraw/zinc/83/49/93/390834993.db2.gz VLLPEZCSBNZNTC-UONOGXRCSA-N 2 2 277.368 0.087 20 0 CCADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@H](C)O ZINC000647536439 390836100 /nfs/dbraw/zinc/83/61/00/390836100.db2.gz SAWAXOVEYKRNPY-DVOMOZLQSA-N 2 2 278.396 0.765 20 0 CCADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@H](C)O ZINC000647536439 390836103 /nfs/dbraw/zinc/83/61/03/390836103.db2.gz SAWAXOVEYKRNPY-DVOMOZLQSA-N 2 2 278.396 0.765 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)C[NH+](C)[C@H]1CCSC1 ZINC000578570612 390892843 /nfs/dbraw/zinc/89/28/43/390892843.db2.gz CLQOVNLSXXXENH-OLZOCXBDSA-N 2 2 285.457 0.976 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)C[NH+](C)[C@H]1CCSC1 ZINC000578570612 390892845 /nfs/dbraw/zinc/89/28/45/390892845.db2.gz CLQOVNLSXXXENH-OLZOCXBDSA-N 2 2 285.457 0.976 20 0 CCADLP CC[C@@H]1C[NH+](C)CCN1C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000578570612 390892847 /nfs/dbraw/zinc/89/28/47/390892847.db2.gz CLQOVNLSXXXENH-OLZOCXBDSA-N 2 2 285.457 0.976 20 0 CCADLP CC[C@@H]1C[NH+](C)CCN1C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000578570612 390892848 /nfs/dbraw/zinc/89/28/48/390892848.db2.gz CLQOVNLSXXXENH-OLZOCXBDSA-N 2 2 285.457 0.976 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCc2cnn(C)c2)C[C@H](C)O1 ZINC000578618677 390894650 /nfs/dbraw/zinc/89/46/50/390894650.db2.gz MARMUZLVJRYLPW-GUTXKFCHSA-N 2 2 296.415 0.022 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCc2cnn(C)c2)C[C@H](C)O1 ZINC000578618677 390894651 /nfs/dbraw/zinc/89/46/51/390894651.db2.gz MARMUZLVJRYLPW-GUTXKFCHSA-N 2 2 296.415 0.022 20 0 CCADLP CCOCC[C@H](O)C[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000578626880 390895011 /nfs/dbraw/zinc/89/50/11/390895011.db2.gz ARAPVCKQPZKTPD-KBPBESRZSA-N 2 2 274.405 0.210 20 0 CCADLP CCOCC[C@H](O)C[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000578626880 390895013 /nfs/dbraw/zinc/89/50/13/390895013.db2.gz ARAPVCKQPZKTPD-KBPBESRZSA-N 2 2 274.405 0.210 20 0 CCADLP Cc1ccc(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])s1 ZINC000578867861 390905207 /nfs/dbraw/zinc/90/52/07/390905207.db2.gz GGKMEMKQKSXPRG-NSHDSACASA-N 2 2 267.398 0.700 20 0 CCADLP Cc1ccc(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])s1 ZINC000578867861 390905208 /nfs/dbraw/zinc/90/52/08/390905208.db2.gz GGKMEMKQKSXPRG-NSHDSACASA-N 2 2 267.398 0.700 20 0 CCADLP C[C@@H](C[NH3+])[N@H+](C)CCn1cnc2ccccc2c1=O ZINC000578893069 390906729 /nfs/dbraw/zinc/90/67/29/390906729.db2.gz VFVFKXHQLUDARB-NSHDSACASA-N 2 2 260.341 0.676 20 0 CCADLP C[C@@H](C[NH3+])[N@@H+](C)CCn1cnc2ccccc2c1=O ZINC000578893069 390906730 /nfs/dbraw/zinc/90/67/30/390906730.db2.gz VFVFKXHQLUDARB-NSHDSACASA-N 2 2 260.341 0.676 20 0 CCADLP C[NH+](C)C1CC[NH+](C[C@H](O)CC2(O)CCC2)CC1 ZINC000528351501 285397040 /nfs/dbraw/zinc/39/70/40/285397040.db2.gz PRCLNJSCDCIZHG-CYBMUJFWSA-N 2 2 256.390 0.678 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000528432991 285404394 /nfs/dbraw/zinc/40/43/94/285404394.db2.gz JYNLATAOXBCHLC-CHWSQXEVSA-N 2 2 280.372 0.417 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]([NH3+])C2CCC2)C[C@@H]1C ZINC000423904670 533422387 /nfs/dbraw/zinc/42/23/87/533422387.db2.gz YCSDHOXRVPNSOW-SMDDNHRTSA-N 2 2 297.399 0.210 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]([NH3+])C2CCC2)C[C@@H]1C ZINC000423904670 533422390 /nfs/dbraw/zinc/42/23/90/533422390.db2.gz YCSDHOXRVPNSOW-SMDDNHRTSA-N 2 2 297.399 0.210 20 0 CCADLP COC(=O)COC[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000449194016 533551234 /nfs/dbraw/zinc/55/12/34/533551234.db2.gz WSCYSHWYAMLRCL-QJPTWQEYSA-N 2 2 270.373 0.779 20 0 CCADLP COC(=O)COC[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000449194016 533551237 /nfs/dbraw/zinc/55/12/37/533551237.db2.gz WSCYSHWYAMLRCL-QJPTWQEYSA-N 2 2 270.373 0.779 20 0 CCADLP CSCC[C@@H]([NH3+])C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424178311 533606011 /nfs/dbraw/zinc/60/60/11/533606011.db2.gz QYDHFJXNNIRPOF-RKDXNWHRSA-N 2 2 281.372 0.428 20 0 CCADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)[C@@H]1C ZINC000423578884 533637295 /nfs/dbraw/zinc/63/72/95/533637295.db2.gz VDYYJFYGTPQASD-VOAKCMCISA-N 2 2 270.373 0.542 20 0 CCADLP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493520936 533644958 /nfs/dbraw/zinc/64/49/58/533644958.db2.gz MOTJONWJAJZCRK-AAOUONPWSA-N 2 2 292.383 0.727 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493520936 533644962 /nfs/dbraw/zinc/64/49/62/533644962.db2.gz MOTJONWJAJZCRK-AAOUONPWSA-N 2 2 292.383 0.727 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](CC)C[C@@H]2C)C1 ZINC000341771036 130008711 /nfs/dbraw/zinc/00/87/11/130008711.db2.gz FMCQIACFGIVHCE-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@H+](CC)C[C@@H]2C)C1 ZINC000341771036 130008712 /nfs/dbraw/zinc/00/87/12/130008712.db2.gz FMCQIACFGIVHCE-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)[C@@H](C)C1 ZINC000341771036 130008714 /nfs/dbraw/zinc/00/87/14/130008714.db2.gz FMCQIACFGIVHCE-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@@H](C)C1 ZINC000341771036 130008715 /nfs/dbraw/zinc/00/87/15/130008715.db2.gz FMCQIACFGIVHCE-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CC[N@@H+]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC000341841210 130086524 /nfs/dbraw/zinc/08/65/24/130086524.db2.gz JKLHAVCSXKNYTR-LLVKDONJSA-N 2 2 280.372 0.902 20 0 CCADLP CC[N@H+]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@H](C)C1 ZINC000341841210 130086526 /nfs/dbraw/zinc/08/65/26/130086526.db2.gz JKLHAVCSXKNYTR-LLVKDONJSA-N 2 2 280.372 0.902 20 0 CCADLP Cn1cc(N2CCC[C@@H]([NH2+]CC3([NH3+])CCC3)C2=O)cn1 ZINC000342096240 130257602 /nfs/dbraw/zinc/25/76/02/130257602.db2.gz GXXZGXVTUIRRCO-GFCCVEGCSA-N 2 2 277.372 0.387 20 0 CCADLP O[C@@H](C[NH2+]Cc1ccc(F)cn1)C[NH+]1CCCC1 ZINC000529529368 285475054 /nfs/dbraw/zinc/47/50/54/285475054.db2.gz AMOZRXTVHAWFMJ-ZDUSSCGKSA-N 2 2 253.321 0.767 20 0 CCADLP COC1([C@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)CCC1 ZINC000657880597 413070474 /nfs/dbraw/zinc/07/04/74/413070474.db2.gz PWIPPFWYZAIECD-QWHCGFSZSA-N 2 2 255.406 0.779 20 0 CCADLP COC1([C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)CCC1 ZINC000657880597 413070476 /nfs/dbraw/zinc/07/04/76/413070476.db2.gz PWIPPFWYZAIECD-QWHCGFSZSA-N 2 2 255.406 0.779 20 0 CCADLP COC1CC[NH+](CC[NH2+][C@H](C)Cn2cncn2)CC1 ZINC000657899254 413073011 /nfs/dbraw/zinc/07/30/11/413073011.db2.gz BCLOBBBDPWDKQQ-GFCCVEGCSA-N 2 2 267.377 0.367 20 0 CCADLP O=c1[nH]c2c(cc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1)CCC2 ZINC000530231093 285578613 /nfs/dbraw/zinc/57/86/13/285578613.db2.gz MAZNMDYRBKOTQJ-CQSZACIVSA-N 2 2 291.395 0.822 20 0 CCADLP C[C@H](c1nnnn1C)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530239155 285580821 /nfs/dbraw/zinc/58/08/21/285580821.db2.gz DNVIBHWBOCTLSQ-DGCLKSJQSA-N 2 2 294.403 0.362 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCn3nccc32)C1 ZINC000657974307 413081259 /nfs/dbraw/zinc/08/12/59/413081259.db2.gz NBHHDJLNQNLTQJ-AAEUAGOBSA-N 2 2 250.346 0.374 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCn3nccc32)C1 ZINC000657974307 413081262 /nfs/dbraw/zinc/08/12/62/413081262.db2.gz NBHHDJLNQNLTQJ-AAEUAGOBSA-N 2 2 250.346 0.374 20 0 CCADLP COCCCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917739 397390218 /nfs/dbraw/zinc/39/02/18/397390218.db2.gz PVUFMMZZKBZWTP-KGLIPLIRSA-N 2 2 283.416 0.603 20 0 CCADLP COCCCNC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917739 397390222 /nfs/dbraw/zinc/39/02/22/397390222.db2.gz PVUFMMZZKBZWTP-KGLIPLIRSA-N 2 2 283.416 0.603 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)C1 ZINC000356998327 144049383 /nfs/dbraw/zinc/04/93/83/144049383.db2.gz NZSUUXRPKFWQEA-VXGBXAGGSA-N 2 2 280.372 0.944 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)C1 ZINC000356998327 144049385 /nfs/dbraw/zinc/04/93/85/144049385.db2.gz NZSUUXRPKFWQEA-VXGBXAGGSA-N 2 2 280.372 0.944 20 0 CCADLP Cc1ccc(C(=O)N2CC[NH+](CCOCC[NH3+])CC2)cc1 ZINC000357024537 144051771 /nfs/dbraw/zinc/05/17/71/144051771.db2.gz FOLYACJXQNAKRD-UHFFFAOYSA-N 2 2 291.395 0.728 20 0 CCADLP C[C@@H](c1cccnc1)[NH+]1CCN(CCOCC[NH3+])CC1 ZINC000357085369 144058488 /nfs/dbraw/zinc/05/84/88/144058488.db2.gz SOPGONUHERLPAA-AWEZNQCLSA-N 2 2 278.400 0.736 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000357114215 144061822 /nfs/dbraw/zinc/06/18/22/144061822.db2.gz IEKQYDHDRMOHFH-TXEJJXNPSA-N 2 2 262.357 0.373 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000357114215 144061823 /nfs/dbraw/zinc/06/18/23/144061823.db2.gz IEKQYDHDRMOHFH-TXEJJXNPSA-N 2 2 262.357 0.373 20 0 CCADLP CN(C)c1nccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000357119618 144062378 /nfs/dbraw/zinc/06/23/78/144062378.db2.gz LTRIAJLQCRAPLB-NWDGAFQWSA-N 2 2 261.373 0.584 20 0 CCADLP CN(C)c1nccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000357119618 144062379 /nfs/dbraw/zinc/06/23/79/144062379.db2.gz LTRIAJLQCRAPLB-NWDGAFQWSA-N 2 2 261.373 0.584 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)Nc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000357327724 144082441 /nfs/dbraw/zinc/08/24/41/144082441.db2.gz UPJHMBHQFPDNID-SNVBAGLBSA-N 2 2 284.327 0.772 20 0 CCADLP C[N@@H+](CC(=O)N1CCCCCC1)C1CC[NH+](CCO)CC1 ZINC000357649386 144109019 /nfs/dbraw/zinc/10/90/19/144109019.db2.gz PUBBDWKRJXAQKS-UHFFFAOYSA-N 2 2 297.443 0.778 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1cccc(C(N)=O)c1 ZINC000358098569 144152022 /nfs/dbraw/zinc/15/20/22/144152022.db2.gz POYFDVUPWCPIBW-RISCZKNCSA-N 2 2 261.369 0.868 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1cccc(C(N)=O)c1 ZINC000358098569 144152024 /nfs/dbraw/zinc/15/20/24/144152024.db2.gz POYFDVUPWCPIBW-RISCZKNCSA-N 2 2 261.369 0.868 20 0 CCADLP CCc1nn(C)c(CC)c1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358112461 144152940 /nfs/dbraw/zinc/15/29/40/144152940.db2.gz BLHJRNSYJXQANV-OAHLLOKOSA-N 2 2 280.416 0.701 20 0 CCADLP CCc1nn(C)c(CC)c1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358112461 144152942 /nfs/dbraw/zinc/15/29/42/144152942.db2.gz BLHJRNSYJXQANV-OAHLLOKOSA-N 2 2 280.416 0.701 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(N2CCOCC2)nc1 ZINC000358134302 144155980 /nfs/dbraw/zinc/15/59/80/144155980.db2.gz AXLSFSHEWFTTTE-UKRRQHHQSA-N 2 2 290.411 0.958 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(N2CCOCC2)nc1 ZINC000358134302 144155981 /nfs/dbraw/zinc/15/59/81/144155981.db2.gz AXLSFSHEWFTTTE-UKRRQHHQSA-N 2 2 290.411 0.958 20 0 CCADLP CCN1CC[NH+](CCC(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)CC1 ZINC000358667689 144170627 /nfs/dbraw/zinc/17/06/27/144170627.db2.gz RCTUPOJTVVDUJB-GASCZTMLSA-N 2 2 296.459 0.565 20 0 CCADLP CCN1CC[NH+](CCC(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)CC1 ZINC000358667689 144170629 /nfs/dbraw/zinc/17/06/29/144170629.db2.gz RCTUPOJTVVDUJB-GASCZTMLSA-N 2 2 296.459 0.565 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000359259802 144207176 /nfs/dbraw/zinc/20/71/76/144207176.db2.gz GYLMDCCSWKBQDS-LBPRGKRZSA-N 2 2 257.378 0.165 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000359259802 144207178 /nfs/dbraw/zinc/20/71/78/144207178.db2.gz GYLMDCCSWKBQDS-LBPRGKRZSA-N 2 2 257.378 0.165 20 0 CCADLP CCC[NH+](C)CC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000359259802 144207179 /nfs/dbraw/zinc/20/71/79/144207179.db2.gz GYLMDCCSWKBQDS-LBPRGKRZSA-N 2 2 257.378 0.165 20 0 CCADLP CCC[NH+](C)CC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000359259802 144207181 /nfs/dbraw/zinc/20/71/81/144207181.db2.gz GYLMDCCSWKBQDS-LBPRGKRZSA-N 2 2 257.378 0.165 20 0 CCADLP CN(C)c1ncc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cn1 ZINC000368229337 144213247 /nfs/dbraw/zinc/21/32/47/144213247.db2.gz SJDDQMNBRLTOQJ-LLVKDONJSA-N 2 2 272.356 0.913 20 0 CCADLP CN(C)c1ncc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cn1 ZINC000368229337 144213248 /nfs/dbraw/zinc/21/32/48/144213248.db2.gz SJDDQMNBRLTOQJ-LLVKDONJSA-N 2 2 272.356 0.913 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CCCn2cc[nH+]c2)C1 ZINC000370734732 144313771 /nfs/dbraw/zinc/31/37/71/144313771.db2.gz KVWJZXMOLMWPMR-CYBMUJFWSA-N 2 2 280.372 0.452 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)CCCn2cc[nH+]c2)C1 ZINC000370734732 144313773 /nfs/dbraw/zinc/31/37/73/144313773.db2.gz KVWJZXMOLMWPMR-CYBMUJFWSA-N 2 2 280.372 0.452 20 0 CCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)C[NH+](C)C)CCC2 ZINC000372227090 144358532 /nfs/dbraw/zinc/35/85/32/144358532.db2.gz YGPLSWDZRSAFGF-NSHDSACASA-N 2 2 250.346 0.747 20 0 CCADLP O=C1O[C@@H](C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CC12CC2 ZINC000373036839 144389486 /nfs/dbraw/zinc/38/94/86/144389486.db2.gz SVEWVTPLUIBCDI-ZIAGYGMSSA-N 2 2 294.395 0.736 20 0 CCADLP O=C1O[C@@H](C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CC12CC2 ZINC000373036839 144389488 /nfs/dbraw/zinc/38/94/88/144389488.db2.gz SVEWVTPLUIBCDI-ZIAGYGMSSA-N 2 2 294.395 0.736 20 0 CCADLP CC[C@H]1C[N@H+](CC(=O)NC2CC[NH+](CC)CC2)CC[C@@H]1[NH3+] ZINC000649417134 397609533 /nfs/dbraw/zinc/60/95/33/397609533.db2.gz YTVWXLQVXXZYBE-ZFWWWQNUSA-N 3 2 296.459 0.646 20 0 CCADLP CC[C@H]1C[N@@H+](CC(=O)NC2CC[NH+](CC)CC2)CC[C@@H]1[NH3+] ZINC000649417134 397609538 /nfs/dbraw/zinc/60/95/38/397609538.db2.gz YTVWXLQVXXZYBE-ZFWWWQNUSA-N 3 2 296.459 0.646 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(C)([NH3+])CC2)CC1 ZINC000649416038 397609613 /nfs/dbraw/zinc/60/96/13/397609613.db2.gz JCDDMRUDEOLFNG-ZDUSSCGKSA-N 3 2 282.432 0.352 20 0 CCADLP Cc1cc(N2CC[C@@H]([NH+]3CCC(C)([NH3+])CC3)C2=O)n(C)n1 ZINC000649416047 397609766 /nfs/dbraw/zinc/60/97/66/397609766.db2.gz JVGKUXNEXLMSBD-GFCCVEGCSA-N 2 2 291.399 0.647 20 0 CCADLP C[NH+]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000650983066 397797778 /nfs/dbraw/zinc/79/77/78/397797778.db2.gz QFMBPCUJUHORDL-UHFFFAOYSA-N 2 2 262.357 0.536 20 0 CCADLP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC(F)(F)C2)C1 ZINC000650709483 397745993 /nfs/dbraw/zinc/74/59/93/397745993.db2.gz AQFMRWVFVJYYHH-NSHDSACASA-N 2 2 275.343 0.915 20 0 CCADLP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCCC(F)(F)C2)C1 ZINC000650709483 397745998 /nfs/dbraw/zinc/74/59/98/397745998.db2.gz AQFMRWVFVJYYHH-NSHDSACASA-N 2 2 275.343 0.915 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000651270637 397863357 /nfs/dbraw/zinc/86/33/57/397863357.db2.gz DULCWPOENWMMAJ-QWHCGFSZSA-N 2 2 280.372 0.359 20 0 CCADLP O=C(NCCn1cc[nH+]c1)C1CC[NH+](C2CC2)CC1 ZINC000549240173 286090564 /nfs/dbraw/zinc/09/05/64/286090564.db2.gz QRQCJSOGLMVRNP-UHFFFAOYSA-N 2 2 262.357 0.874 20 0 CCADLP CS(=O)(=O)C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000550796003 286112159 /nfs/dbraw/zinc/11/21/59/286112159.db2.gz QMBGKYZBHUGKLC-NEPJUHHUSA-N 2 2 283.397 0.611 20 0 CCADLP C[C@@H](CNC(=O)C[NH+]1CC(C)(C)C1)C[NH+]1CCOCC1 ZINC000553145151 286181794 /nfs/dbraw/zinc/18/17/94/286181794.db2.gz QVJRSFURFGGELP-ZDUSSCGKSA-N 2 2 283.416 0.413 20 0 CCADLP Cc1ccc([C@H](CNC(=O)C[NH3+])[NH+]2CCOCC2)cc1 ZINC000237787555 292251888 /nfs/dbraw/zinc/25/18/88/292251888.db2.gz DFYUBVROSAORHW-AWEZNQCLSA-N 2 2 277.368 0.443 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659093584 413279516 /nfs/dbraw/zinc/27/95/16/413279516.db2.gz YOIMSYHJZMGPFA-UHFFFAOYSA-N 2 2 280.328 0.224 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000454663259 297126939 /nfs/dbraw/zinc/12/69/39/297126939.db2.gz UTFMJJWBJPRPOU-HZSPNIEDSA-N 2 2 296.415 0.053 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC000454663259 297126932 /nfs/dbraw/zinc/12/69/32/297126932.db2.gz UTFMJJWBJPRPOU-HZSPNIEDSA-N 2 2 296.415 0.053 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC000454663259 297126934 /nfs/dbraw/zinc/12/69/34/297126934.db2.gz UTFMJJWBJPRPOU-HZSPNIEDSA-N 2 2 296.415 0.053 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000454663259 297126936 /nfs/dbraw/zinc/12/69/36/297126936.db2.gz UTFMJJWBJPRPOU-HZSPNIEDSA-N 2 2 296.415 0.053 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[NH2+]CCO2)[C@H](n2cncn2)C1 ZINC000333852649 296734514 /nfs/dbraw/zinc/73/45/14/296734514.db2.gz QHAUIMRDOPXJCM-YIYPIFLZSA-N 2 2 279.388 0.586 20 0 CCADLP [NH3+]C1(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC2(CCC2)C1 ZINC000659359309 413441269 /nfs/dbraw/zinc/44/12/69/413441269.db2.gz ZAWSDPBRACQIGC-ZDUSSCGKSA-N 2 2 293.411 0.581 20 0 CCADLP CC(C)[C@H](C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H](C)[NH3+] ZINC000659357809 413443406 /nfs/dbraw/zinc/44/34/06/413443406.db2.gz NKIOXBWEGVGUIG-MCIONIFRSA-N 2 2 283.416 0.539 20 0 CCADLP COCCN(CC[NH+](C)C)C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000373367784 292476426 /nfs/dbraw/zinc/47/64/26/292476426.db2.gz DJQIGLLVRZPYLU-GFCCVEGCSA-N 2 2 294.399 0.866 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O)[C@@H]1CCC[NH2+]1 ZINC000333308902 287058224 /nfs/dbraw/zinc/05/82/24/287058224.db2.gz RKCWBVUJLDTLRL-KWCYVHTRSA-N 2 2 291.399 0.646 20 0 CCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000178889837 287154795 /nfs/dbraw/zinc/15/47/95/287154795.db2.gz MAWHBIPVYYZZCF-DZGCQCFKSA-N 2 2 288.395 0.896 20 0 CCADLP C[N@H+](CCC[NH3+])CC(=O)Nc1ccc2c(c1)OCO2 ZINC000123315215 411710113 /nfs/dbraw/zinc/71/01/13/411710113.db2.gz IRSQNRBUMWFGPW-UHFFFAOYSA-N 2 2 265.313 0.634 20 0 CCADLP C[N@@H+](CCC[NH3+])CC(=O)Nc1ccc2c(c1)OCO2 ZINC000123315215 411710115 /nfs/dbraw/zinc/71/01/15/411710115.db2.gz IRSQNRBUMWFGPW-UHFFFAOYSA-N 2 2 265.313 0.634 20 0 CCADLP Cc1cccc(OCCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000124332674 411713303 /nfs/dbraw/zinc/71/33/03/411713303.db2.gz PFEQMAXVOBORIQ-AWEZNQCLSA-N 2 2 291.395 0.865 20 0 CCADLP Cc1cccc(OCCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000124332674 411713308 /nfs/dbraw/zinc/71/33/08/411713308.db2.gz PFEQMAXVOBORIQ-AWEZNQCLSA-N 2 2 291.395 0.865 20 0 CCADLP Cn1c[nH+]c(CC[NH2+]C[C@H](O)CC(F)(F)F)c1 ZINC000313254445 411753700 /nfs/dbraw/zinc/75/37/00/411753700.db2.gz STPXRPADVKVVEP-SECBINFHSA-N 2 2 251.252 0.866 20 0 CCADLP CCO[C@@H]1C[N@H+](CC(=O)N[C@H]2CCCC[C@@H]2C)C[C@H]1C[NH3+] ZINC000405605223 411803685 /nfs/dbraw/zinc/80/36/85/411803685.db2.gz QQTBNXNWFNSAJL-LJISPDSOSA-N 2 2 297.443 0.977 20 0 CCADLP CCO[C@@H]1C[N@@H+](CC(=O)N[C@H]2CCCC[C@@H]2C)C[C@H]1C[NH3+] ZINC000405605223 411803689 /nfs/dbraw/zinc/80/36/89/411803689.db2.gz QQTBNXNWFNSAJL-LJISPDSOSA-N 2 2 297.443 0.977 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407308184 411805753 /nfs/dbraw/zinc/80/57/53/411805753.db2.gz FRJVBXHHASEYDT-RTXFEEFZSA-N 2 2 262.357 0.918 20 0 CCADLP C[C@@H](CCCCO)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000651382142 411859468 /nfs/dbraw/zinc/85/94/68/411859468.db2.gz PNCOASLWZYBNGD-UONOGXRCSA-N 2 2 258.406 0.974 20 0 CCADLP C[C@@H](CCCCO)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000651382142 411859471 /nfs/dbraw/zinc/85/94/71/411859471.db2.gz PNCOASLWZYBNGD-UONOGXRCSA-N 2 2 258.406 0.974 20 0 CCADLP [NH3+]CC1(CCNC(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000652182889 411996922 /nfs/dbraw/zinc/99/69/22/411996922.db2.gz GHGIHMFJQUUEQH-UHFFFAOYSA-N 2 2 296.415 0.279 20 0 CCADLP CCO[C@@H]1C[N@H+](CC(=O)NC(C2CC2)C2CC2)C[C@H]1C[NH3+] ZINC000652357374 412039135 /nfs/dbraw/zinc/03/91/35/412039135.db2.gz MBJXLMLRKHHFFC-ZIAGYGMSSA-N 2 2 295.427 0.587 20 0 CCADLP CCO[C@@H]1C[N@@H+](CC(=O)NC(C2CC2)C2CC2)C[C@H]1C[NH3+] ZINC000652357374 412039140 /nfs/dbraw/zinc/03/91/40/412039140.db2.gz MBJXLMLRKHHFFC-ZIAGYGMSSA-N 2 2 295.427 0.587 20 0 CCADLP CC(C)n1cc([C@@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C)cn1 ZINC000653089951 412214342 /nfs/dbraw/zinc/21/43/42/412214342.db2.gz ZPPYWMNGSOBWRT-DGCLKSJQSA-N 2 2 281.404 0.920 20 0 CCADLP [NH3+]C[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000653047042 412199688 /nfs/dbraw/zinc/19/96/88/412199688.db2.gz ANVXKQUNQCJGGM-NSHDSACASA-N 2 2 262.357 0.569 20 0 CCADLP [NH3+]C[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)C1CC1 ZINC000653053554 412202097 /nfs/dbraw/zinc/20/20/97/412202097.db2.gz RIZYNISCQYPIAG-GFCCVEGCSA-N 2 2 262.357 0.615 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CCO1 ZINC000653056198 412204412 /nfs/dbraw/zinc/20/44/12/412204412.db2.gz YCYRGDLWALDSSJ-DGCLKSJQSA-N 2 2 292.383 0.337 20 0 CCADLP COc1ccccc1CN(C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653058097 412205463 /nfs/dbraw/zinc/20/54/63/412205463.db2.gz DMJJJTJXXKZXKT-CYBMUJFWSA-N 2 2 279.384 0.933 20 0 CCADLP CCC(CC)N(CCOC)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653071689 412208669 /nfs/dbraw/zinc/20/86/69/412208669.db2.gz PNBXGHOBEXYWML-CYBMUJFWSA-N 2 2 273.421 0.929 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCOc2ccccc2C1 ZINC000653076064 412209804 /nfs/dbraw/zinc/20/98/04/412209804.db2.gz HKKZDVANPNKLLW-ZDUSSCGKSA-N 2 2 277.368 0.687 20 0 CCADLP CCCN(CC(F)F)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653082770 412211811 /nfs/dbraw/zinc/21/18/11/412211811.db2.gz DEJLIGCBWGQWLK-SECBINFHSA-N 2 2 251.321 0.769 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CNc2ccccc2C1 ZINC000653210630 412260384 /nfs/dbraw/zinc/26/03/84/412260384.db2.gz CYJHVXBDIVCWDK-QWHCGFSZSA-N 2 2 276.384 0.418 20 0 CCADLP CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653101715 412218587 /nfs/dbraw/zinc/21/85/87/412218587.db2.gz DQJDLFVVFYLQEH-MCIONIFRSA-N 2 2 285.432 0.833 20 0 CCADLP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653106633 412219596 /nfs/dbraw/zinc/21/95/96/412219596.db2.gz GMUSICFSTGMPKD-ZIAGYGMSSA-N 3 2 284.448 0.646 20 0 CCADLP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653106633 412219600 /nfs/dbraw/zinc/21/96/00/412219600.db2.gz GMUSICFSTGMPKD-ZIAGYGMSSA-N 3 2 284.448 0.646 20 0 CCADLP CCC1(CC)[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C[C@@H]1OC ZINC000653104731 412219914 /nfs/dbraw/zinc/21/99/14/412219914.db2.gz SFKFFZREZVDSBF-UPJWGTAASA-N 2 2 285.432 0.975 20 0 CCADLP CCOCCC1(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)CCC1 ZINC000653103880 412220073 /nfs/dbraw/zinc/22/00/73/412220073.db2.gz WEPSIUPHSVKABF-CYBMUJFWSA-N 2 2 285.432 0.979 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000653111127 412224126 /nfs/dbraw/zinc/22/41/26/412224126.db2.gz FLUPWQAQTYDJGN-XQQFMLRXSA-N 3 2 268.405 0.008 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000653111127 412224129 /nfs/dbraw/zinc/22/41/29/412224129.db2.gz FLUPWQAQTYDJGN-XQQFMLRXSA-N 3 2 268.405 0.008 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N(Cc1ccccn1)C1CC1 ZINC000653148401 412241822 /nfs/dbraw/zinc/24/18/22/412241822.db2.gz ZZCPVHNPHCEQGL-CQSZACIVSA-N 2 2 276.384 0.852 20 0 CCADLP CN(CC[N@H+](C)C1CCCCC1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653148834 412242209 /nfs/dbraw/zinc/24/22/09/412242209.db2.gz MXHYWJCPSCMSFT-HNNXBMFYSA-N 3 2 298.475 0.988 20 0 CCADLP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653148834 412242213 /nfs/dbraw/zinc/24/22/13/412242213.db2.gz MXHYWJCPSCMSFT-HNNXBMFYSA-N 3 2 298.475 0.988 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000653157855 412246419 /nfs/dbraw/zinc/24/64/19/412246419.db2.gz NXWODFZPYOHXFD-RDBSUJKOSA-N 3 2 282.432 0.208 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000653157855 412246424 /nfs/dbraw/zinc/24/64/24/412246424.db2.gz NXWODFZPYOHXFD-RDBSUJKOSA-N 3 2 282.432 0.208 20 0 CCADLP C[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)[C@@H](O)Cc1ccccc1 ZINC000653157529 412246981 /nfs/dbraw/zinc/24/69/81/412246981.db2.gz DUIHVMHFAXQVNN-CFVMTHIKSA-N 2 2 293.411 0.374 20 0 CCADLP CCCN1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C(C)(C)C1=O ZINC000653159377 412247305 /nfs/dbraw/zinc/24/73/05/412247305.db2.gz AMDHMQOGDJOTJZ-LBPRGKRZSA-N 2 2 298.431 0.125 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000653164720 412249641 /nfs/dbraw/zinc/24/96/41/412249641.db2.gz DNZRJBWJONJZFG-KBPBESRZSA-N 3 2 296.459 0.502 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@H]1CC12CCSCC2 ZINC000653165490 412249940 /nfs/dbraw/zinc/24/99/40/412249940.db2.gz PFECTYUJUUXENN-VXGBXAGGSA-N 2 2 285.457 0.915 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000653168958 412250344 /nfs/dbraw/zinc/25/03/44/412250344.db2.gz WIEKGQJZGFFXFT-KKUMJFAQSA-N 2 2 297.443 0.931 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCOC2(CCCC2)C1 ZINC000653168876 412251012 /nfs/dbraw/zinc/25/10/12/412251012.db2.gz SLXFDFPNZHHOOS-GFCCVEGCSA-N 2 2 269.389 0.437 20 0 CCADLP CN(C)C(=O)CN1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000653489127 412305710 /nfs/dbraw/zinc/30/57/10/412305710.db2.gz FKCPUPYCXSKONV-UHFFFAOYSA-N 2 2 293.415 0.059 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC(C)(C)OCC1(C)C ZINC000653556817 412318229 /nfs/dbraw/zinc/31/82/29/412318229.db2.gz KZIZAJRLJDPCCO-ZDUSSCGKSA-N 2 2 288.432 0.815 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC(C)(C)OCC1(C)C ZINC000653556817 412318232 /nfs/dbraw/zinc/31/82/32/412318232.db2.gz KZIZAJRLJDPCCO-ZDUSSCGKSA-N 2 2 288.432 0.815 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC(C)(C)OCC1(C)C ZINC000653556817 412318234 /nfs/dbraw/zinc/31/82/34/412318234.db2.gz KZIZAJRLJDPCCO-ZDUSSCGKSA-N 2 2 288.432 0.815 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](OC)CC1 ZINC000653612862 412324906 /nfs/dbraw/zinc/32/49/06/412324906.db2.gz JXBRFESBJXSKKS-UONOGXRCSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](OC)CC1 ZINC000653612862 412324907 /nfs/dbraw/zinc/32/49/07/412324907.db2.gz JXBRFESBJXSKKS-UONOGXRCSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](OC)CC1 ZINC000653612862 412324911 /nfs/dbraw/zinc/32/49/11/412324911.db2.gz JXBRFESBJXSKKS-UONOGXRCSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](OC)CC1 ZINC000653612862 412324912 /nfs/dbraw/zinc/32/49/12/412324912.db2.gz JXBRFESBJXSKKS-UONOGXRCSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[N@H+](CCc1c[nH+]cn1C)C[C@H](O)C(F)(F)F ZINC000653786761 412348118 /nfs/dbraw/zinc/34/81/18/412348118.db2.gz BPSZEYRCVDKJER-NSHDSACASA-N 2 2 295.305 0.834 20 0 CCADLP COCC[N@@H+](CCc1c[nH+]cn1C)C[C@H](O)C(F)(F)F ZINC000653786761 412348121 /nfs/dbraw/zinc/34/81/21/412348121.db2.gz BPSZEYRCVDKJER-NSHDSACASA-N 2 2 295.305 0.834 20 0 CCADLP COc1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1O ZINC000653346920 412292394 /nfs/dbraw/zinc/29/23/94/412292394.db2.gz LTRCAJHJBGVPTF-JTQLQIEISA-N 2 2 267.329 0.618 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH+]1CCCC1 ZINC000654407237 412394274 /nfs/dbraw/zinc/39/42/74/412394274.db2.gz KUWOINXSQBZTLP-NSHDSACASA-N 2 2 250.346 0.800 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH+]1CCCC1 ZINC000654407237 412394276 /nfs/dbraw/zinc/39/42/76/412394276.db2.gz KUWOINXSQBZTLP-NSHDSACASA-N 2 2 250.346 0.800 20 0 CCADLP [NH3+]CC1(C(=O)NCCCNc2cccc[nH+]2)CCOCC1 ZINC000284978688 196169170 /nfs/dbraw/zinc/16/91/70/196169170.db2.gz SFRXOYBTLFFQEH-UHFFFAOYSA-N 2 2 292.383 0.755 20 0 CCADLP CC1(C)C[NH+](CC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000654890113 412448680 /nfs/dbraw/zinc/44/86/80/412448680.db2.gz JHJJHFZBLGORGB-ZDUSSCGKSA-N 2 2 281.400 0.261 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000654939352 412452235 /nfs/dbraw/zinc/45/22/35/412452235.db2.gz FMOBUEQLDQLVHU-UHFFFAOYSA-N 2 2 272.308 0.876 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)C[NH+]2CCC(C)(C)C2)CCO1 ZINC000655035892 412466008 /nfs/dbraw/zinc/46/60/08/412466008.db2.gz LLEFUIFOZKWLQK-CQSZACIVSA-N 2 2 297.443 0.945 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)C[NH+]2CCC(C)(C)C2)CCO1 ZINC000655035892 412466011 /nfs/dbraw/zinc/46/60/11/412466011.db2.gz LLEFUIFOZKWLQK-CQSZACIVSA-N 2 2 297.443 0.945 20 0 CCADLP CC[C@@H]1C[NH+](CCNC(=O)C[N@@H+]2CCC(C)(C)C2)CCO1 ZINC000655035892 412466013 /nfs/dbraw/zinc/46/60/13/412466013.db2.gz LLEFUIFOZKWLQK-CQSZACIVSA-N 2 2 297.443 0.945 20 0 CCADLP CC[C@@H]1C[NH+](CCNC(=O)C[N@H+]2CCC(C)(C)C2)CCO1 ZINC000655035892 412466017 /nfs/dbraw/zinc/46/60/17/412466017.db2.gz LLEFUIFOZKWLQK-CQSZACIVSA-N 2 2 297.443 0.945 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)CC(C)(C)[NH3+] ZINC000659436421 413496531 /nfs/dbraw/zinc/49/65/31/413496531.db2.gz TWUCZRDDYZLSNL-LLVKDONJSA-N 2 2 272.393 0.086 20 0 CCADLP [NH3+][C@@H]1CN(C(=O)NCCCCn2cc[nH+]c2)CC[C@H]1F ZINC000659441498 413502518 /nfs/dbraw/zinc/50/25/18/413502518.db2.gz TUSYGDXQQKAJSZ-VXGBXAGGSA-N 2 2 283.351 0.744 20 0 CCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)CC(C)(C)[NH3+] ZINC000659451837 413509930 /nfs/dbraw/zinc/50/99/30/413509930.db2.gz IIPIZWHMYSFUTQ-LBPRGKRZSA-N 2 2 285.436 0.001 20 0 CCADLP CN(CC(C)(C)[NH3+])C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000659487209 413542516 /nfs/dbraw/zinc/54/25/16/413542516.db2.gz RCGRJEUFPPUBEK-UHFFFAOYSA-N 2 2 284.404 0.230 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000659509729 413571639 /nfs/dbraw/zinc/57/16/39/413571639.db2.gz HZUNRIPETFVUHW-SNVBAGLBSA-N 2 2 251.334 0.551 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000659509729 413571649 /nfs/dbraw/zinc/57/16/49/413571649.db2.gz HZUNRIPETFVUHW-SNVBAGLBSA-N 2 2 251.334 0.551 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000285372127 196265331 /nfs/dbraw/zinc/26/53/31/196265331.db2.gz DKHOXBHIWBNWLL-MNOVXSKESA-N 2 2 254.309 0.479 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](F)C[C@H]1C(N)=O ZINC000285372127 196265332 /nfs/dbraw/zinc/26/53/32/196265332.db2.gz DKHOXBHIWBNWLL-MNOVXSKESA-N 2 2 254.309 0.479 20 0 CCADLP C[C@H](NC(=O)N[C@H]1CC[NH2+][C@H](C)C1)c1[nH+]ccn1C ZINC000659541329 413629024 /nfs/dbraw/zinc/62/90/24/413629024.db2.gz ICCCZGMEDOQZGH-VWYCJHECSA-N 2 2 265.361 0.921 20 0 CCADLP C[C@H](NC(=O)N1CC[NH2+][C@H](C)[C@@H]1C)c1[nH+]ccn1C ZINC000659628277 413723579 /nfs/dbraw/zinc/72/35/79/413723579.db2.gz NZPBMKNZAMZUOJ-VWYCJHECSA-N 2 2 265.361 0.873 20 0 CCADLP C[C@H](NC(=O)N1CC[C@@](C)(C[NH3+])C1)c1[nH+]ccn1C ZINC000659627338 413725188 /nfs/dbraw/zinc/72/51/88/413725188.db2.gz HIWZYKOLBVJIBF-GWCFXTLKSA-N 2 2 265.361 0.861 20 0 CCADLP C[C@H](NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1[nH+]ccn1C ZINC000659629295 413725619 /nfs/dbraw/zinc/72/56/19/413725619.db2.gz VNANMZXYCZIUGG-GARJFASQSA-N 2 2 263.345 0.342 20 0 CCADLP C[C@@H](NC(=O)N(C)C1CC([NH3+])C1)c1[nH+]ccn1C ZINC000659628165 413725881 /nfs/dbraw/zinc/72/58/81/413725881.db2.gz MGEIAZDCDCESIT-XNWIYYODSA-N 2 2 251.334 0.612 20 0 CCADLP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)Nc1cnccn1 ZINC000659882925 413939749 /nfs/dbraw/zinc/93/97/49/413939749.db2.gz OZMQYEANDFQDKF-LBPRGKRZSA-N 2 2 286.339 0.949 20 0 CCADLP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)Nc1cnccn1 ZINC000659882925 413939750 /nfs/dbraw/zinc/93/97/50/413939750.db2.gz OZMQYEANDFQDKF-LBPRGKRZSA-N 2 2 286.339 0.949 20 0 CCADLP C[C@H]1C[C@H]([NH+](C)CCN2C(=O)CN(C)C2=O)CC[N@@H+]1C ZINC000659983803 414022961 /nfs/dbraw/zinc/02/29/61/414022961.db2.gz WCZBJEZHIDWEOQ-NWDGAFQWSA-N 2 2 282.388 0.295 20 0 CCADLP C[C@H]1C[C@H]([NH+](C)CCN2C(=O)CN(C)C2=O)CC[N@H+]1C ZINC000659983803 414022969 /nfs/dbraw/zinc/02/29/69/414022969.db2.gz WCZBJEZHIDWEOQ-NWDGAFQWSA-N 2 2 282.388 0.295 20 0 CCADLP C[C@H]1C[C@H]([N@H+](C)CCN2C(=O)CN(C)C2=O)CC[NH+]1C ZINC000659983803 414022979 /nfs/dbraw/zinc/02/29/79/414022979.db2.gz WCZBJEZHIDWEOQ-NWDGAFQWSA-N 2 2 282.388 0.295 20 0 CCADLP C[C@H]1C[C@H]([N@@H+](C)CCN2C(=O)CN(C)C2=O)CC[NH+]1C ZINC000659983803 414022986 /nfs/dbraw/zinc/02/29/86/414022986.db2.gz WCZBJEZHIDWEOQ-NWDGAFQWSA-N 2 2 282.388 0.295 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CNC(=O)C1 ZINC000659998221 414036641 /nfs/dbraw/zinc/03/66/41/414036641.db2.gz UEIZSHVMNOLNAP-XQQFMLRXSA-N 2 2 251.374 0.681 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CNC(=O)C1 ZINC000659998221 414036646 /nfs/dbraw/zinc/03/66/46/414036646.db2.gz UEIZSHVMNOLNAP-XQQFMLRXSA-N 2 2 251.374 0.681 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CNC(=O)C1 ZINC000659998221 414036659 /nfs/dbraw/zinc/03/66/59/414036659.db2.gz UEIZSHVMNOLNAP-XQQFMLRXSA-N 2 2 251.374 0.681 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CNC(=O)C1 ZINC000659998221 414036667 /nfs/dbraw/zinc/03/66/67/414036667.db2.gz UEIZSHVMNOLNAP-XQQFMLRXSA-N 2 2 251.374 0.681 20 0 CCADLP COC[C@H](C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)OC ZINC000660120932 414124903 /nfs/dbraw/zinc/12/49/03/414124903.db2.gz QQQMTYQQVSFFDQ-KBPBESRZSA-N 2 2 299.415 0.062 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)CCc1cnccn1 ZINC000660166956 414178347 /nfs/dbraw/zinc/17/83/47/414178347.db2.gz VUWKLNMPDPCEJO-AWEZNQCLSA-N 2 2 266.389 0.652 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)CCc1cnccn1 ZINC000660166956 414178353 /nfs/dbraw/zinc/17/83/53/414178353.db2.gz VUWKLNMPDPCEJO-AWEZNQCLSA-N 2 2 266.389 0.652 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)CCc1cnccn1 ZINC000660166956 414178357 /nfs/dbraw/zinc/17/83/57/414178357.db2.gz VUWKLNMPDPCEJO-AWEZNQCLSA-N 2 2 266.389 0.652 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)CCc1cnccn1 ZINC000660166956 414178362 /nfs/dbraw/zinc/17/83/62/414178362.db2.gz VUWKLNMPDPCEJO-AWEZNQCLSA-N 2 2 266.389 0.652 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000660345931 414258828 /nfs/dbraw/zinc/25/88/28/414258828.db2.gz PSENHJQQGRHIJO-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000660345931 414258837 /nfs/dbraw/zinc/25/88/37/414258837.db2.gz PSENHJQQGRHIJO-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CNC(=O)CCC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660472022 414342195 /nfs/dbraw/zinc/34/21/95/414342195.db2.gz BCJIAIOTAJGWLS-CQSZACIVSA-N 2 2 283.416 0.699 20 0 CCADLP CNC(=O)CCC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660472022 414342204 /nfs/dbraw/zinc/34/22/04/414342204.db2.gz BCJIAIOTAJGWLS-CQSZACIVSA-N 2 2 283.416 0.699 20 0 CCADLP CCOC[C@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660474201 414344417 /nfs/dbraw/zinc/34/44/17/414344417.db2.gz ZEMAYSMPENNCGT-LSDHHAIUSA-N 2 2 286.416 0.571 20 0 CCADLP CCOC[C@H](O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660474201 414344426 /nfs/dbraw/zinc/34/44/26/414344426.db2.gz ZEMAYSMPENNCGT-LSDHHAIUSA-N 2 2 286.416 0.571 20 0 CCADLP C[C@H](CO)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660477786 414350644 /nfs/dbraw/zinc/35/06/44/414350644.db2.gz JEGMUNIVWYGRIT-UONOGXRCSA-N 2 2 256.390 0.802 20 0 CCADLP C[C@H](CO)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660477786 414350653 /nfs/dbraw/zinc/35/06/53/414350653.db2.gz JEGMUNIVWYGRIT-UONOGXRCSA-N 2 2 256.390 0.802 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(c2nc(N)n[nH]2)CC1)C1CC1 ZINC000660564688 414391358 /nfs/dbraw/zinc/39/13/58/414391358.db2.gz GXRIJBCGNIPHHH-GFCCVEGCSA-N 2 2 294.403 0.021 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(c2nc(N)n[nH]2)CC1)C1CC1 ZINC000660564688 414391361 /nfs/dbraw/zinc/39/13/61/414391361.db2.gz GXRIJBCGNIPHHH-GFCCVEGCSA-N 2 2 294.403 0.021 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000660741737 414469632 /nfs/dbraw/zinc/46/96/32/414469632.db2.gz RLIPPYZDECLKBJ-SDDRHHMPSA-N 2 2 298.349 0.933 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000660741737 414469636 /nfs/dbraw/zinc/46/96/36/414469636.db2.gz RLIPPYZDECLKBJ-SDDRHHMPSA-N 2 2 298.349 0.933 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000660741737 414469638 /nfs/dbraw/zinc/46/96/38/414469638.db2.gz RLIPPYZDECLKBJ-SDDRHHMPSA-N 2 2 298.349 0.933 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000660741737 414469643 /nfs/dbraw/zinc/46/96/43/414469643.db2.gz RLIPPYZDECLKBJ-SDDRHHMPSA-N 2 2 298.349 0.933 20 0 CCADLP Cc1nnc([C@@H]2CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C2)[nH]1 ZINC000660806921 414489082 /nfs/dbraw/zinc/48/90/82/414489082.db2.gz ZDVGQCFGUJDLBP-OLZOCXBDSA-N 2 2 281.404 0.604 20 0 CCADLP Cc1nnc([C@@H]2CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C2)[nH]1 ZINC000660806921 414489086 /nfs/dbraw/zinc/48/90/86/414489086.db2.gz ZDVGQCFGUJDLBP-OLZOCXBDSA-N 2 2 281.404 0.604 20 0 CCADLP Cc1nnc([C@@H]2CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C2)[nH]1 ZINC000660806921 414489088 /nfs/dbraw/zinc/48/90/88/414489088.db2.gz ZDVGQCFGUJDLBP-OLZOCXBDSA-N 2 2 281.404 0.604 20 0 CCADLP Cc1nnc([C@@H]2CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C2)[nH]1 ZINC000660806921 414489090 /nfs/dbraw/zinc/48/90/90/414489090.db2.gz ZDVGQCFGUJDLBP-OLZOCXBDSA-N 2 2 281.404 0.604 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660843760 414504567 /nfs/dbraw/zinc/50/45/67/414504567.db2.gz ILWJKLQWTVFVQD-JTQLQIEISA-N 2 2 253.350 0.891 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660843760 414504569 /nfs/dbraw/zinc/50/45/69/414504569.db2.gz ILWJKLQWTVFVQD-JTQLQIEISA-N 2 2 253.350 0.891 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+](CCOCCO)C1CCC1 ZINC000661100542 414557313 /nfs/dbraw/zinc/55/73/13/414557313.db2.gz RQUAUSSCYSKGCK-UHFFFAOYSA-N 2 2 267.373 0.826 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+](CCOCCO)C1CCC1 ZINC000661100542 414557314 /nfs/dbraw/zinc/55/73/14/414557314.db2.gz RQUAUSSCYSKGCK-UHFFFAOYSA-N 2 2 267.373 0.826 20 0 CCADLP Cc1cc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)ncn1 ZINC000662264118 414702567 /nfs/dbraw/zinc/70/25/67/414702567.db2.gz AZEVLDJTOYLNQA-AWEZNQCLSA-N 2 2 289.383 0.181 20 0 CCADLP Cc1cc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)ncn1 ZINC000662264118 414702568 /nfs/dbraw/zinc/70/25/68/414702568.db2.gz AZEVLDJTOYLNQA-AWEZNQCLSA-N 2 2 289.383 0.181 20 0 CCADLP Nc1nccc([C@H]2CCC[N@H+](C[C@@H]3C[NH2+]CCO3)C2)n1 ZINC000662277011 414704485 /nfs/dbraw/zinc/70/44/85/414704485.db2.gz NAYDMIRUXQPPCZ-RYUDHWBXSA-N 2 2 277.372 0.227 20 0 CCADLP Nc1nccc([C@H]2CCC[N@@H+](C[C@@H]3C[NH2+]CCO3)C2)n1 ZINC000662277011 414704486 /nfs/dbraw/zinc/70/44/86/414704486.db2.gz NAYDMIRUXQPPCZ-RYUDHWBXSA-N 2 2 277.372 0.227 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000662282725 414705685 /nfs/dbraw/zinc/70/56/85/414705685.db2.gz JTKSSJLUTBSJSP-MGPQQGTHSA-N 2 2 254.374 0.866 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000662282725 414705686 /nfs/dbraw/zinc/70/56/86/414705686.db2.gz JTKSSJLUTBSJSP-MGPQQGTHSA-N 2 2 254.374 0.866 20 0 CCADLP C[C@H]1C[C@H](C)CN(C(=O)C[NH2+]C2(CO)CC[NH2+]CC2)C1 ZINC000662285588 414706262 /nfs/dbraw/zinc/70/62/62/414706262.db2.gz DYNMNQKOOVTVCJ-STQMWFEESA-N 2 2 283.416 0.195 20 0 CCADLP [NH3+]CC[N@@H+](Cc1ccc2ccccc2c1)C[C@H](O)CO ZINC000662289943 414707250 /nfs/dbraw/zinc/70/72/50/414707250.db2.gz ZUWMGLCZWCODNG-INIZCTEOSA-N 2 2 274.364 0.954 20 0 CCADLP [NH3+]CC[N@H+](Cc1ccc2ccccc2c1)C[C@H](O)CO ZINC000662289943 414707251 /nfs/dbraw/zinc/70/72/51/414707251.db2.gz ZUWMGLCZWCODNG-INIZCTEOSA-N 2 2 274.364 0.954 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291930 414707560 /nfs/dbraw/zinc/70/75/60/414707560.db2.gz ARSIGDMNAXZUTE-LSDHHAIUSA-N 3 2 267.417 0.686 20 0 CCADLP CC(C)N1CCC[C@@H]([N@@H+]2CC3CC2(C[NH3+])C3)C1=O ZINC000662305065 414708343 /nfs/dbraw/zinc/70/83/43/414708343.db2.gz XVLNARWBCHGLJY-MBHSVXNSSA-N 2 2 251.374 0.809 20 0 CCADLP CC(C)N1CCC[C@@H]([N@H+]2CC3CC2(C[NH3+])C3)C1=O ZINC000662305065 414708344 /nfs/dbraw/zinc/70/83/44/414708344.db2.gz XVLNARWBCHGLJY-MBHSVXNSSA-N 2 2 251.374 0.809 20 0 CCADLP c1cc(C2CC[NH+](C[C@@H]3C[NH2+]CCO3)CC2)no1 ZINC000662315273 414708663 /nfs/dbraw/zinc/70/86/63/414708663.db2.gz DGYBRURYTUWULT-LBPRGKRZSA-N 2 2 251.330 0.842 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662325987 414710390 /nfs/dbraw/zinc/71/03/90/414710390.db2.gz SAILUZQCWPNUEK-HZPDHXFCSA-N 2 2 299.459 0.750 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000661971591 414685517 /nfs/dbraw/zinc/68/55/17/414685517.db2.gz JQZRKRIYFOYCRY-BFHYXJOUSA-N 2 2 265.401 0.881 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000661971591 414685518 /nfs/dbraw/zinc/68/55/18/414685518.db2.gz JQZRKRIYFOYCRY-BFHYXJOUSA-N 2 2 265.401 0.881 20 0 CCADLP C[C@H]1COC2(CCCC2)C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000661984123 414686082 /nfs/dbraw/zinc/68/60/82/414686082.db2.gz JHSUBYJGNSTUIJ-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP C[C@H]1COC2(CCCC2)C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000661984123 414686083 /nfs/dbraw/zinc/68/60/83/414686083.db2.gz JHSUBYJGNSTUIJ-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP CN(C)C(=O)N(C)[C@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000662013372 414687237 /nfs/dbraw/zinc/68/72/37/414687237.db2.gz RQPSVWASSGHEKB-ZDUSSCGKSA-N 2 2 279.388 0.961 20 0 CCADLP CN(C)C(=O)N(C)[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000662013372 414687238 /nfs/dbraw/zinc/68/72/38/414687238.db2.gz RQPSVWASSGHEKB-ZDUSSCGKSA-N 2 2 279.388 0.961 20 0 CCADLP COCCOCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662151058 414693539 /nfs/dbraw/zinc/69/35/39/414693539.db2.gz FHRKJGFXYBVOSU-AWEZNQCLSA-N 2 2 272.389 0.180 20 0 CCADLP COCCOCC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662151058 414693540 /nfs/dbraw/zinc/69/35/40/414693540.db2.gz FHRKJGFXYBVOSU-AWEZNQCLSA-N 2 2 272.389 0.180 20 0 CCADLP O[C@H]1CC[N@@H+](C2CC[NH+](CCCn3cc[nH+]c3)CC2)C1 ZINC000662152795 414694325 /nfs/dbraw/zinc/69/43/25/414694325.db2.gz GYWNVRNTEUIGCL-HNNXBMFYSA-N 3 2 278.400 0.804 20 0 CCADLP O[C@H]1CC[N@H+](C2CC[NH+](CCCn3cc[nH+]c3)CC2)C1 ZINC000662152795 414694326 /nfs/dbraw/zinc/69/43/26/414694326.db2.gz GYWNVRNTEUIGCL-HNNXBMFYSA-N 3 2 278.400 0.804 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662233355 414698440 /nfs/dbraw/zinc/69/84/40/414698440.db2.gz DNUJUBIKDHCMIM-XQQFMLRXSA-N 3 2 253.390 0.709 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662233355 414698441 /nfs/dbraw/zinc/69/84/41/414698441.db2.gz DNUJUBIKDHCMIM-XQQFMLRXSA-N 3 2 253.390 0.709 20 0 CCADLP [NH3+]CC1CC[NH+](Cc2nnn(CC(F)(F)F)n2)CC1 ZINC000662236199 414698586 /nfs/dbraw/zinc/69/85/86/414698586.db2.gz VLZYOURWDRFPNR-UHFFFAOYSA-N 2 2 278.282 0.406 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)N3CCN(C)C[C@H]3C[NH3+])ccn12 ZINC000662428193 414717549 /nfs/dbraw/zinc/71/75/49/414717549.db2.gz HRNROJIPALTQGV-CYBMUJFWSA-N 2 2 287.367 0.358 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)N3CCO[C@@H]([C@@H](C)[NH3+])C3)ccn12 ZINC000662431884 414717774 /nfs/dbraw/zinc/71/77/74/414717774.db2.gz MZCRWSRISONZIN-DGCLKSJQSA-N 2 2 288.351 0.831 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@H]2CCc3cc(F)ccc32)[C@@H](C[NH3+])C1 ZINC000662430502 414718013 /nfs/dbraw/zinc/71/80/13/414718013.db2.gz YPZLRPNUCNIXSJ-ZFWWWQNUSA-N 2 2 291.370 0.957 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]2CCc3cc(F)ccc32)[C@@H](C[NH3+])C1 ZINC000662430502 414718014 /nfs/dbraw/zinc/71/80/14/414718014.db2.gz YPZLRPNUCNIXSJ-ZFWWWQNUSA-N 2 2 291.370 0.957 20 0 CCADLP CC[NH+]1CCN(C(=O)c2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000662523530 414725173 /nfs/dbraw/zinc/72/51/73/414725173.db2.gz MGZQCERUSWLHAA-UHFFFAOYSA-N 2 2 292.383 0.919 20 0 CCADLP C[NH2+]CCC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000662622942 414733987 /nfs/dbraw/zinc/73/39/87/414733987.db2.gz JLNBLQXMSLAPPP-UHFFFAOYSA-N 2 2 262.357 0.908 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000662630398 414734747 /nfs/dbraw/zinc/73/47/47/414734747.db2.gz DHPXSOFZGOEHGA-CQSZACIVSA-N 3 2 296.459 0.376 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000662630398 414734748 /nfs/dbraw/zinc/73/47/48/414734748.db2.gz DHPXSOFZGOEHGA-CQSZACIVSA-N 3 2 296.459 0.376 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C[NH2+]CC2CC2)[C@H](C)CO1 ZINC000662631185 414735110 /nfs/dbraw/zinc/73/51/10/414735110.db2.gz PRFXNGUESBDHCB-VXGBXAGGSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C[NH2+]CC2CC2)[C@H](C)CO1 ZINC000662631185 414735111 /nfs/dbraw/zinc/73/51/11/414735111.db2.gz PRFXNGUESBDHCB-VXGBXAGGSA-N 2 2 269.389 0.211 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCc2cc(N)ccc21 ZINC000662670127 414739382 /nfs/dbraw/zinc/73/93/82/414739382.db2.gz DSMLQWGNWGBZKB-ZIAGYGMSSA-N 2 2 276.384 0.651 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CC3([NH3+])CC3)CC2)CC1 ZINC000662700490 414743262 /nfs/dbraw/zinc/74/32/62/414743262.db2.gz QQDCINSPQVFGRV-UHFFFAOYSA-N 3 2 294.443 0.543 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662714952 414745568 /nfs/dbraw/zinc/74/55/68/414745568.db2.gz NHWQHYKZHABARX-NWDGAFQWSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662714952 414745569 /nfs/dbraw/zinc/74/55/69/414745569.db2.gz NHWQHYKZHABARX-NWDGAFQWSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662714955 414745797 /nfs/dbraw/zinc/74/57/97/414745797.db2.gz NHWQHYKZHABARX-VXGBXAGGSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662714955 414745798 /nfs/dbraw/zinc/74/57/98/414745798.db2.gz NHWQHYKZHABARX-VXGBXAGGSA-N 2 2 269.389 0.211 20 0 CCADLP CC(C)NC(=O)[C@@H]1CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000662732967 414747955 /nfs/dbraw/zinc/74/79/55/414747955.db2.gz ABRWAOXXCCWNSM-CHWSQXEVSA-N 2 2 298.431 0.029 20 0 CCADLP [NH3+][C@H]1C[C@H](C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000662795271 414800622 /nfs/dbraw/zinc/80/06/22/414800622.db2.gz NIEPVQSHKPXVQM-IJLUTSLNSA-N 2 2 260.341 0.514 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)CCNC2=O ZINC000662848597 414839649 /nfs/dbraw/zinc/83/96/49/414839649.db2.gz FFFZLJUHUJLQMX-CYBMUJFWSA-N 2 2 290.367 0.190 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000662899601 414880751 /nfs/dbraw/zinc/88/07/51/414880751.db2.gz GJOBYPMGLLLCNP-PWSUYJOCSA-N 2 2 295.387 0.180 20 0 CCADLP [NH3+]C1(C(=O)N(CC[NH+]2CCOCC2)CC2CC2)CC1 ZINC000662910375 414884291 /nfs/dbraw/zinc/88/42/91/414884291.db2.gz NTRORCNGCDOKMC-UHFFFAOYSA-N 2 2 267.373 0.049 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]1C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662910289 414885229 /nfs/dbraw/zinc/88/52/29/414885229.db2.gz NDRDFBGCDQCXFB-LSDHHAIUSA-N 2 2 295.427 0.685 20 0 CCADLP C[C@H](NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)c1[nH+]ccn1C ZINC000662933110 414901503 /nfs/dbraw/zinc/90/15/03/414901503.db2.gz GKLJVECCKTYYFX-VWYCJHECSA-N 2 2 250.346 0.985 20 0 CCADLP C[C@@H](NC(=O)[C@H]1C[NH2+]CCC1(F)F)c1[nH+]ccn1C ZINC000662933171 414902695 /nfs/dbraw/zinc/90/26/95/414902695.db2.gz HXOXLOPKGIPCRQ-RKDXNWHRSA-N 2 2 272.299 0.842 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1CC[NH2+]CC1(F)F)c1[nH+]ccn1C ZINC000662934902 414903868 /nfs/dbraw/zinc/90/38/68/414903868.db2.gz RCQMVSMQGAUPSV-BDAKNGLRSA-N 2 2 272.299 0.842 20 0 CCADLP Cc1cc(CO)cc(N2CCN(C(=O)C[NH+](C)C)CC2)[nH+]1 ZINC000663384311 415055377 /nfs/dbraw/zinc/05/53/77/415055377.db2.gz HCDNZQFBRXYHHU-UHFFFAOYSA-N 2 2 292.383 0.093 20 0 CCADLP COc1c(N)[nH+]cnc1NCCC[NH+]1CCC(O)CC1 ZINC000663402867 415059035 /nfs/dbraw/zinc/05/90/35/415059035.db2.gz MTZRNTHTZKPVNN-UHFFFAOYSA-N 2 2 281.360 0.326 20 0 CCADLP COc1c(N)nc[nH+]c1NCCC[NH+]1CCC(O)CC1 ZINC000663402867 415059038 /nfs/dbraw/zinc/05/90/38/415059038.db2.gz MTZRNTHTZKPVNN-UHFFFAOYSA-N 2 2 281.360 0.326 20 0 CCADLP [NH3+][C@@H](C(=O)N1CCOC2(C[NH2+]C2)C1)c1c(F)cccc1F ZINC000663491912 415075835 /nfs/dbraw/zinc/07/58/35/415075835.db2.gz MYADOLOSJFXFKW-GFCCVEGCSA-N 2 2 297.305 0.165 20 0 CCADLP [NH3+][C@H](C(=O)N1CCOC2(C[NH2+]C2)C1)c1c(F)cccc1F ZINC000663491913 415076401 /nfs/dbraw/zinc/07/64/01/415076401.db2.gz MYADOLOSJFXFKW-LBPRGKRZSA-N 2 2 297.305 0.165 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000665048850 415518414 /nfs/dbraw/zinc/51/84/14/415518414.db2.gz XYTOBEDWFBZGHW-SRVKXCTJSA-N 2 2 295.387 0.280 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)[C@H](C)C1 ZINC000665290523 415587333 /nfs/dbraw/zinc/58/73/33/415587333.db2.gz BZTGONRXOHQCHH-PWSUYJOCSA-N 3 2 279.388 0.461 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)[C@H](C)C1 ZINC000665290523 415587336 /nfs/dbraw/zinc/58/73/36/415587336.db2.gz BZTGONRXOHQCHH-PWSUYJOCSA-N 3 2 279.388 0.461 20 0 CCADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])n1 ZINC000665294567 415589375 /nfs/dbraw/zinc/58/93/75/415589375.db2.gz RDOPSMGHNVYHEA-GHMZBOCLSA-N 3 2 265.361 0.391 20 0 CCADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cccc(-n2cnnn2)c1 ZINC000665294262 415589423 /nfs/dbraw/zinc/58/94/23/415589423.db2.gz LGUONEYWDNEKIX-WDEREUQCSA-N 2 2 260.345 0.921 20 0 CCADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000665294260 415592363 /nfs/dbraw/zinc/59/23/63/415592363.db2.gz LGUONEYWDNEKIX-MNOVXSKESA-N 2 2 260.345 0.921 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000353465109 287318074 /nfs/dbraw/zinc/31/80/74/287318074.db2.gz ZMXBAZAHIBBALI-GJZGRUSLSA-N 3 2 296.459 0.517 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000575194442 335079027 /nfs/dbraw/zinc/07/90/27/335079027.db2.gz HYHVBAHDWNSZGO-UHFFFAOYSA-N 2 2 253.390 0.927 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000575194442 335079028 /nfs/dbraw/zinc/07/90/28/335079028.db2.gz HYHVBAHDWNSZGO-UHFFFAOYSA-N 2 2 253.390 0.927 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000683980182 545593544 /nfs/dbraw/zinc/59/35/44/545593544.db2.gz URBGNZIBCVMYHN-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000683980182 545593548 /nfs/dbraw/zinc/59/35/48/545593548.db2.gz URBGNZIBCVMYHN-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H]1CCC[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1 ZINC000037255352 544422717 /nfs/dbraw/zinc/42/27/17/544422717.db2.gz MHQRSCILMNLETK-QWHCGFSZSA-N 2 2 253.390 0.929 20 0 CCADLP CNC(=O)[C@H](CC(C)C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000070143533 544448780 /nfs/dbraw/zinc/44/87/80/544448780.db2.gz JZGBOCXZAUMIRG-LBPRGKRZSA-N 2 2 281.404 0.736 20 0 CCADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)C1CC[NH+](C)CC1 ZINC000068801646 544449615 /nfs/dbraw/zinc/44/96/15/544449615.db2.gz IHLNPRUPIKLOPX-UKRRQHHQSA-N 3 2 268.449 0.552 20 0 CCADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)C1CC[NH+](C)CC1 ZINC000068801646 544449620 /nfs/dbraw/zinc/44/96/20/544449620.db2.gz IHLNPRUPIKLOPX-UKRRQHHQSA-N 3 2 268.449 0.552 20 0 CCADLP CCOC1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000093159725 544537675 /nfs/dbraw/zinc/53/76/75/544537675.db2.gz WDWYAUIXBPHDBW-UHFFFAOYSA-N 2 2 269.389 0.261 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)CC1([NH3+])CCC1 ZINC000094293751 544543746 /nfs/dbraw/zinc/54/37/46/544543746.db2.gz JFJMZBYGZZOWDE-NSHDSACASA-N 2 2 255.362 0.095 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000095981754 544552039 /nfs/dbraw/zinc/55/20/39/544552039.db2.gz VZJIJBFVTICQGJ-RBSFLKMASA-N 2 2 295.427 0.704 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000095981754 544552040 /nfs/dbraw/zinc/55/20/40/544552040.db2.gz VZJIJBFVTICQGJ-RBSFLKMASA-N 2 2 295.427 0.704 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+](C[C@@H](C)CO)CC2)c1 ZINC000120849718 544573834 /nfs/dbraw/zinc/57/38/34/544573834.db2.gz WILJKXKCNDYQMX-GFCCVEGCSA-N 2 2 265.357 0.841 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)c1cccc2c1CC[NH2+]C2 ZINC000124278425 544587483 /nfs/dbraw/zinc/58/74/83/544587483.db2.gz HUQVCBABBFMCJX-UHFFFAOYSA-N 2 2 270.336 0.996 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000134974102 544634018 /nfs/dbraw/zinc/63/40/18/544634018.db2.gz BLEFGIOZGHTLHH-NEPJUHHUSA-N 2 2 257.378 0.164 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000134974102 544634023 /nfs/dbraw/zinc/63/40/23/544634023.db2.gz BLEFGIOZGHTLHH-NEPJUHHUSA-N 2 2 257.378 0.164 20 0 CCADLP CC[C@H](COC)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000152948334 544662651 /nfs/dbraw/zinc/66/26/51/544662651.db2.gz OQZVSZRCAQXERM-OAHLLOKOSA-N 2 2 299.459 0.798 20 0 CCADLP CC[C@H](COC)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000152948334 544662655 /nfs/dbraw/zinc/66/26/55/544662655.db2.gz OQZVSZRCAQXERM-OAHLLOKOSA-N 2 2 299.459 0.798 20 0 CCADLP COc1cccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])c1F ZINC000166057711 544723292 /nfs/dbraw/zinc/72/32/92/544723292.db2.gz JDJSCHVMUXAFLV-GFCCVEGCSA-N 2 2 267.348 0.909 20 0 CCADLP COc1cccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])c1F ZINC000166057711 544723296 /nfs/dbraw/zinc/72/32/96/544723296.db2.gz JDJSCHVMUXAFLV-GFCCVEGCSA-N 2 2 267.348 0.909 20 0 CCADLP C[C@H](CNC(=O)CC1([NH3+])CCC1)Cn1cc[nH+]c1 ZINC000165588785 544724104 /nfs/dbraw/zinc/72/41/04/544724104.db2.gz HZFREYABOZYKTI-LLVKDONJSA-N 2 2 250.346 0.907 20 0 CCADLP CCO[C@@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000224612071 544827461 /nfs/dbraw/zinc/82/74/61/544827461.db2.gz IRWSCHSTUAQVHS-CHWSQXEVSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000229330075 544849019 /nfs/dbraw/zinc/84/90/19/544849019.db2.gz FQXLKSJGYLKKOA-SFYZADRCSA-N 2 2 253.268 0.334 20 0 CCADLP C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000229330075 544849022 /nfs/dbraw/zinc/84/90/22/544849022.db2.gz FQXLKSJGYLKKOA-SFYZADRCSA-N 2 2 253.268 0.334 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]CC2CCSCC2)CC1 ZINC000229258841 544847323 /nfs/dbraw/zinc/84/73/23/544847323.db2.gz QTRZAAJSGFMFGE-UHFFFAOYSA-N 2 2 271.430 0.493 20 0 CCADLP Cc1nc(NC[C@H](C)N2CC[NH+](C)CC2)nc(N(C)C)[nH+]1 ZINC000488369766 420306731 /nfs/dbraw/zinc/30/67/31/420306731.db2.gz SXZYZLDXKGZHIQ-NSHDSACASA-N 2 2 293.419 0.294 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000246665973 544910507 /nfs/dbraw/zinc/91/05/07/544910507.db2.gz DVWXAWKFGIYWHW-OLZOCXBDSA-N 2 2 289.445 0.484 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000246665973 544910513 /nfs/dbraw/zinc/91/05/13/544910513.db2.gz DVWXAWKFGIYWHW-OLZOCXBDSA-N 2 2 289.445 0.484 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000246665973 544910517 /nfs/dbraw/zinc/91/05/17/544910517.db2.gz DVWXAWKFGIYWHW-OLZOCXBDSA-N 2 2 289.445 0.484 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000246665973 544910520 /nfs/dbraw/zinc/91/05/20/544910520.db2.gz DVWXAWKFGIYWHW-OLZOCXBDSA-N 2 2 289.445 0.484 20 0 CCADLP COCCCNC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252416977 544929716 /nfs/dbraw/zinc/92/97/16/544929716.db2.gz PVUFMMZZKBZWTP-UONOGXRCSA-N 2 2 283.416 0.603 20 0 CCADLP COCCCNC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252416977 544929721 /nfs/dbraw/zinc/92/97/21/544929721.db2.gz PVUFMMZZKBZWTP-UONOGXRCSA-N 2 2 283.416 0.603 20 0 CCADLP Cn1c[nH+]cc1C[NH2+][C@H](Cc1ccccc1)C(N)=O ZINC000290619673 544970206 /nfs/dbraw/zinc/97/02/06/544970206.db2.gz LFLIDINTGNGIIS-CYBMUJFWSA-N 2 2 258.325 0.606 20 0 CCADLP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000300314482 544979908 /nfs/dbraw/zinc/97/99/08/544979908.db2.gz BBAMCOGTUJBYDG-NWDGAFQWSA-N 2 2 253.390 0.975 20 0 CCADLP CC(C)(C)[NH2+]CC[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000300314482 544979910 /nfs/dbraw/zinc/97/99/10/544979910.db2.gz BBAMCOGTUJBYDG-NWDGAFQWSA-N 2 2 253.390 0.975 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000333786787 545043116 /nfs/dbraw/zinc/04/31/16/545043116.db2.gz FNBMGEPAOADPNM-IHRRRGAJSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](CNC(=O)N[C@H]1C[NH2+]CC[C@H]1C)[NH+]1CCOCC1 ZINC000333938982 545044830 /nfs/dbraw/zinc/04/48/30/545044830.db2.gz MXGGRKNDKRYWIH-UPJWGTAASA-N 2 2 284.404 0.004 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000332771011 545033288 /nfs/dbraw/zinc/03/32/88/545033288.db2.gz OXMPVLJGAGBEEX-CHWSQXEVSA-N 2 2 292.383 0.282 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000332771011 545033291 /nfs/dbraw/zinc/03/32/91/545033291.db2.gz OXMPVLJGAGBEEX-CHWSQXEVSA-N 2 2 292.383 0.282 20 0 CCADLP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC[C@H]3[NH3+])cn2)CC1 ZINC000333283442 545039135 /nfs/dbraw/zinc/03/91/35/545039135.db2.gz MWDNFOPPUQZGGL-CABCVRRESA-N 3 2 289.427 0.803 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)NCCc2cn(C)c[nH+]2)CC1 ZINC000333542208 545040148 /nfs/dbraw/zinc/04/01/48/545040148.db2.gz DGBGWNJPWLEMOX-UHFFFAOYSA-N 2 2 279.388 0.698 20 0 CCADLP COC[C@H]([NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000347776642 545062910 /nfs/dbraw/zinc/06/29/10/545062910.db2.gz AKULIXLZMITHAB-OSRDXIQISA-N 2 2 286.416 0.471 20 0 CCADLP COC[C@H]([NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000347776642 545062912 /nfs/dbraw/zinc/06/29/12/545062912.db2.gz AKULIXLZMITHAB-OSRDXIQISA-N 2 2 286.416 0.471 20 0 CCADLP CN(C(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)C1CC1 ZINC000334978720 545047870 /nfs/dbraw/zinc/04/78/70/545047870.db2.gz KWEAGEOCFJSRNO-CQSZACIVSA-N 2 2 251.374 0.683 20 0 CCADLP CN(C(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)C1CC1 ZINC000334978720 545047872 /nfs/dbraw/zinc/04/78/72/545047872.db2.gz KWEAGEOCFJSRNO-CQSZACIVSA-N 2 2 251.374 0.683 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000336585235 545051091 /nfs/dbraw/zinc/05/10/91/545051091.db2.gz VZSCTXFTELOPCP-FZMZJTMJSA-N 2 2 251.374 0.729 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000336585235 545051092 /nfs/dbraw/zinc/05/10/92/545051092.db2.gz VZSCTXFTELOPCP-FZMZJTMJSA-N 2 2 251.374 0.729 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529305828 269864814 /nfs/dbraw/zinc/86/48/14/269864814.db2.gz ZYAAYTDIVMHHKV-JTQLQIEISA-N 2 2 263.345 0.504 20 0 CCADLP Cc1cccnc1C[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000521427087 262329058 /nfs/dbraw/zinc/32/90/58/262329058.db2.gz ZGNPDXSNRAXBSJ-KFWWJZLASA-N 2 2 293.411 0.950 20 0 CCADLP CO[C@H](C)C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000336826417 274075663 /nfs/dbraw/zinc/07/56/63/274075663.db2.gz OIAQZUPUVUTYGY-GFCCVEGCSA-N 2 2 279.388 0.700 20 0 CCADLP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)CO2 ZINC000423507171 274125125 /nfs/dbraw/zinc/12/51/25/274125125.db2.gz HTEGPKRAGKVJHB-KGLIPLIRSA-N 2 2 291.395 0.492 20 0 CCADLP Nc1[nH+]cnc(N2CCN(c3[nH]cc[nH+]3)CC2)c1Cl ZINC000290965571 274966925 /nfs/dbraw/zinc/96/69/25/274966925.db2.gz PCAFXNZREYWDLV-UHFFFAOYSA-N 2 2 279.735 0.762 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)NCC[NH+](C)C1CCCC1 ZINC000367308559 276389447 /nfs/dbraw/zinc/38/94/47/276389447.db2.gz DRVNZIHJLLURFA-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)NCC[NH+](C)C1CCCC1 ZINC000367308559 276389450 /nfs/dbraw/zinc/38/94/50/276389450.db2.gz DRVNZIHJLLURFA-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+]1CCOC[C@H]1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000367308559 276389451 /nfs/dbraw/zinc/38/94/51/276389451.db2.gz DRVNZIHJLLURFA-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+]1CCOC[C@H]1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000367308559 276389453 /nfs/dbraw/zinc/38/94/53/276389453.db2.gz DRVNZIHJLLURFA-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP C([NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)[C@@H]1CCCOC1 ZINC000422721662 276813803 /nfs/dbraw/zinc/81/38/03/276813803.db2.gz VYWGORHWDCJYMH-YUTCNCBUSA-N 2 2 254.374 0.770 20 0 CCADLP C[NH+]1CCC2(CCCN2C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000371314515 277037909 /nfs/dbraw/zinc/03/79/09/277037909.db2.gz MYLCPXPDPRNSNR-CYBMUJFWSA-N 2 2 281.400 0.404 20 0 CCADLP C[NH+]1CCC2(CCCN2C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000371314515 277037912 /nfs/dbraw/zinc/03/79/12/277037912.db2.gz MYLCPXPDPRNSNR-CYBMUJFWSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@@H+]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000349385108 277048713 /nfs/dbraw/zinc/04/87/13/277048713.db2.gz PCZUQECYOGIMJK-GFCCVEGCSA-N 2 2 262.357 0.610 20 0 CCADLP C[N@H+]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000349385108 277048714 /nfs/dbraw/zinc/04/87/14/277048714.db2.gz PCZUQECYOGIMJK-GFCCVEGCSA-N 2 2 262.357 0.610 20 0 CCADLP C[N@@H+]1CCN(C(=O)OCC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000496418230 277093125 /nfs/dbraw/zinc/09/31/25/277093125.db2.gz NGTMVCILXLPLEZ-ZETCQYMHSA-N 2 2 255.240 0.260 20 0 CCADLP C[N@H+]1CCN(C(=O)OCC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000496418230 277093127 /nfs/dbraw/zinc/09/31/27/277093127.db2.gz NGTMVCILXLPLEZ-ZETCQYMHSA-N 2 2 255.240 0.260 20 0 CCADLP COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346988535 277107383 /nfs/dbraw/zinc/10/73/83/277107383.db2.gz RFWJKCDYMXANOE-SRVKXCTJSA-N 2 2 256.346 0.248 20 0 CCADLP COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346988535 277107385 /nfs/dbraw/zinc/10/73/85/277107385.db2.gz RFWJKCDYMXANOE-SRVKXCTJSA-N 2 2 256.346 0.248 20 0 CCADLP CC(C)(C(N)=O)[NH+]1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000270558758 277126137 /nfs/dbraw/zinc/12/61/37/277126137.db2.gz IVMLRDDOJBIKHI-UHFFFAOYSA-N 2 2 287.367 0.949 20 0 CCADLP CC(C)[C@@H](C(=O)NC[C@@H]1CC[NH2+]CC1(F)F)[NH+](C)C ZINC000449656389 277723072 /nfs/dbraw/zinc/72/30/72/277723072.db2.gz KQGDJQVQYYVCSY-QWRGUYRKSA-N 2 2 277.359 0.934 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000426351217 278249631 /nfs/dbraw/zinc/24/96/31/278249631.db2.gz JYCCXEJGCBDXAW-KCQAQPDRSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000426351217 278249632 /nfs/dbraw/zinc/24/96/32/278249632.db2.gz JYCCXEJGCBDXAW-KCQAQPDRSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCCC[C@H]1C[NH3+] ZINC000416432413 278301570 /nfs/dbraw/zinc/30/15/70/278301570.db2.gz KBHZJLUERMQBQN-RYUDHWBXSA-N 2 2 265.361 0.794 20 0 CCADLP C[C@@H]([NH3+])CC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000261921467 278305567 /nfs/dbraw/zinc/30/55/67/278305567.db2.gz XQUONLCXODAWGL-SNVBAGLBSA-N 2 2 259.313 0.621 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000414690743 278995082 /nfs/dbraw/zinc/99/50/82/278995082.db2.gz NOZBCZDQCARCDN-GFCCVEGCSA-N 2 2 291.461 0.716 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1NCC1([NH+](C)C)CCOCC1 ZINC000344447587 288097338 /nfs/dbraw/zinc/09/73/38/288097338.db2.gz LWTFBJIMBKRYIY-CHWSQXEVSA-N 2 2 255.406 0.637 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1NCC1([NH+](C)C)CCOCC1 ZINC000344447587 288097339 /nfs/dbraw/zinc/09/73/39/288097339.db2.gz LWTFBJIMBKRYIY-CHWSQXEVSA-N 2 2 255.406 0.637 20 0 CCADLP C[C@@H]1CN(C)C[C@H]1[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000344447587 288097341 /nfs/dbraw/zinc/09/73/41/288097341.db2.gz LWTFBJIMBKRYIY-CHWSQXEVSA-N 2 2 255.406 0.637 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000358180015 288098226 /nfs/dbraw/zinc/09/82/26/288098226.db2.gz RVELCZHDMRWILE-IJLUTSLNSA-N 2 2 253.390 0.926 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000358180015 288098228 /nfs/dbraw/zinc/09/82/28/288098228.db2.gz RVELCZHDMRWILE-IJLUTSLNSA-N 2 2 253.390 0.926 20 0 CCADLP CCN(CCC[NH2+][C@H]1C[N@H+](C)C[C@H]1C)S(C)(=O)=O ZINC000343384051 279185425 /nfs/dbraw/zinc/18/54/25/279185425.db2.gz IUVBRXZZDZMLDN-NEPJUHHUSA-N 2 2 277.434 0.198 20 0 CCADLP CCN(CCC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C)S(C)(=O)=O ZINC000343384051 279185428 /nfs/dbraw/zinc/18/54/28/279185428.db2.gz IUVBRXZZDZMLDN-NEPJUHHUSA-N 2 2 277.434 0.198 20 0 CCADLP Cc1nnc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1C ZINC000162193365 279220508 /nfs/dbraw/zinc/22/05/08/279220508.db2.gz DAILEJOBAJHVKM-UHFFFAOYSA-N 2 2 294.447 0.581 20 0 CCADLP Cc1nnc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1C ZINC000162193365 279220511 /nfs/dbraw/zinc/22/05/11/279220511.db2.gz DAILEJOBAJHVKM-UHFFFAOYSA-N 2 2 294.447 0.581 20 0 CCADLP C[C@H](C(N)=O)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280232808 279240686 /nfs/dbraw/zinc/24/06/86/279240686.db2.gz BEJHOWXXDDBYPW-YUELXQCFSA-N 2 2 273.380 0.924 20 0 CCADLP C[C@H](C(N)=O)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280232808 279240689 /nfs/dbraw/zinc/24/06/89/279240689.db2.gz BEJHOWXXDDBYPW-YUELXQCFSA-N 2 2 273.380 0.924 20 0 CCADLP C[C@H](C(N)=O)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280232808 279240693 /nfs/dbraw/zinc/24/06/93/279240693.db2.gz BEJHOWXXDDBYPW-YUELXQCFSA-N 2 2 273.380 0.924 20 0 CCADLP C[C@H](C(N)=O)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280232808 279240695 /nfs/dbraw/zinc/24/06/95/279240695.db2.gz BEJHOWXXDDBYPW-YUELXQCFSA-N 2 2 273.380 0.924 20 0 CCADLP C[C@H](CC(=O)N(C)C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000367998521 279244061 /nfs/dbraw/zinc/24/40/61/279244061.db2.gz UFGGYTMXRFPCIK-NXEZZACHSA-N 2 2 250.346 0.723 20 0 CCADLP C[C@H](CC(=O)N(C)C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000367998521 279244063 /nfs/dbraw/zinc/24/40/63/279244063.db2.gz UFGGYTMXRFPCIK-NXEZZACHSA-N 2 2 250.346 0.723 20 0 CCADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415098602 279367461 /nfs/dbraw/zinc/36/74/61/279367461.db2.gz WFGSYNCZMQZGGP-HZSPNIEDSA-N 3 2 255.406 0.875 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C(=O)OC)C3CC3)C2)CC1 ZINC000359601198 279372869 /nfs/dbraw/zinc/37/28/69/279372869.db2.gz SGJNKTXXPPKWJY-LSDHHAIUSA-N 2 2 295.427 0.650 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C(=O)OC)C3CC3)C2)CC1 ZINC000359601198 279372871 /nfs/dbraw/zinc/37/28/71/279372871.db2.gz SGJNKTXXPPKWJY-LSDHHAIUSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@]1(O)CCSC1 ZINC000352812126 288132515 /nfs/dbraw/zinc/13/25/15/288132515.db2.gz ZFVSXUOWLNSMPH-RAIGVLPGSA-N 2 2 256.415 0.927 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@]1(O)CCSC1 ZINC000352812126 288132516 /nfs/dbraw/zinc/13/25/16/288132516.db2.gz ZFVSXUOWLNSMPH-RAIGVLPGSA-N 2 2 256.415 0.927 20 0 CCADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC2(C1)CC[NH2+]CC2 ZINC000334838783 280076827 /nfs/dbraw/zinc/07/68/27/280076827.db2.gz XXBGELUZTJSDPA-JTQLQIEISA-N 2 2 273.327 0.586 20 0 CCADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000417007390 280099154 /nfs/dbraw/zinc/09/91/54/280099154.db2.gz HJJUASFVTRGPMA-JQWIXIFHSA-N 2 2 277.372 0.779 20 0 CCADLP CC[C@@H]1CN(CC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CCO1 ZINC000423079494 280415293 /nfs/dbraw/zinc/41/52/93/280415293.db2.gz AHJYLUPAKLWZJR-BZUAXINKSA-N 2 2 297.443 0.454 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000246507771 281285581 /nfs/dbraw/zinc/28/55/81/281285581.db2.gz QINUPBIXCMKNKQ-CHWSQXEVSA-N 2 2 283.416 0.731 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000246507771 281285582 /nfs/dbraw/zinc/28/55/82/281285582.db2.gz QINUPBIXCMKNKQ-CHWSQXEVSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]1COCC[NH+]1CCOCC[N@H+]1CCOC[C@H]1C ZINC000343585814 288347618 /nfs/dbraw/zinc/34/76/18/288347618.db2.gz DURSNTQUWDWZFU-ZIAGYGMSSA-N 2 2 272.389 0.444 20 0 CCADLP C[C@@H]1COCC[NH+]1CCOCC[N@@H+]1CCOC[C@H]1C ZINC000343585814 288347619 /nfs/dbraw/zinc/34/76/19/288347619.db2.gz DURSNTQUWDWZFU-ZIAGYGMSSA-N 2 2 272.389 0.444 20 0 CCADLP C[NH+](C)C1(CNC(=O)C(C)(C)c2c[nH]c[nH+]2)CCOCC1 ZINC000346304481 282028358 /nfs/dbraw/zinc/02/83/58/282028358.db2.gz DEKWTDHGFMESIH-UHFFFAOYSA-N 2 2 294.399 0.914 20 0 CCADLP Cn1c[nH+]cc1CN(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000349036201 289151163 /nfs/dbraw/zinc/15/11/63/289151163.db2.gz NQOCPYNKOMZWKQ-CQSZACIVSA-N 2 2 266.389 0.963 20 0 CCADLP Cn1cc(C[NH+]2CCC(OCC[NH+](C)C)CC2)nn1 ZINC000336806872 289165842 /nfs/dbraw/zinc/16/58/42/289165842.db2.gz WJGRMSPPTCBOEN-UHFFFAOYSA-N 2 2 267.377 0.358 20 0 CCADLP C[NH+](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000346320597 289290647 /nfs/dbraw/zinc/29/06/47/289290647.db2.gz VYNXLSDLEHWQJT-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP C[NH+](C)[C@@H]1CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000366977434 289296069 /nfs/dbraw/zinc/29/60/69/289296069.db2.gz TVXUBODUSROYCY-OAHLLOKOSA-N 3 2 296.459 0.567 20 0 CCADLP C[NH+](C)[C@@H]1CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000366977434 289296070 /nfs/dbraw/zinc/29/60/70/289296070.db2.gz TVXUBODUSROYCY-OAHLLOKOSA-N 3 2 296.459 0.567 20 0 CCADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414976221 289735766 /nfs/dbraw/zinc/73/57/66/289735766.db2.gz NQDZLINQMIZKQT-RBSFLKMASA-N 3 2 268.449 0.790 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCSCC[C@@H]1C ZINC000385329595 336144368 /nfs/dbraw/zinc/14/43/68/336144368.db2.gz PCXDQGIJXQMMSL-STQMWFEESA-N 2 2 276.446 0.753 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCSCC[C@@H]1C ZINC000385329595 336144370 /nfs/dbraw/zinc/14/43/70/336144370.db2.gz PCXDQGIJXQMMSL-STQMWFEESA-N 2 2 276.446 0.753 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCSCC[C@@H]1C ZINC000385329595 336144371 /nfs/dbraw/zinc/14/43/71/336144371.db2.gz PCXDQGIJXQMMSL-STQMWFEESA-N 2 2 276.446 0.753 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCSCC[C@@H]1C ZINC000385329595 336144373 /nfs/dbraw/zinc/14/43/73/336144373.db2.gz PCXDQGIJXQMMSL-STQMWFEESA-N 2 2 276.446 0.753 20 0 CCADLP COc1cccc(CC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)n1 ZINC000423011423 295294100 /nfs/dbraw/zinc/29/41/00/295294100.db2.gz ZOFWUQTWCTXSBO-HOCLYGCPSA-N 2 2 291.395 0.989 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@@H](C)[C@H]1C ZINC000399486629 545089275 /nfs/dbraw/zinc/08/92/75/545089275.db2.gz GSJBNJASFKRIJJ-DGAVXFQQSA-N 2 2 258.406 0.902 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@@H](C)[C@H]1C ZINC000399486629 545089276 /nfs/dbraw/zinc/08/92/76/545089276.db2.gz GSJBNJASFKRIJJ-DGAVXFQQSA-N 2 2 258.406 0.902 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)[C@@H](C)[C@H]1C ZINC000399486629 545089277 /nfs/dbraw/zinc/08/92/77/545089277.db2.gz GSJBNJASFKRIJJ-DGAVXFQQSA-N 2 2 258.406 0.902 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)[C@@H](C)[C@H]1C ZINC000399486629 545089278 /nfs/dbraw/zinc/08/92/78/545089278.db2.gz GSJBNJASFKRIJJ-DGAVXFQQSA-N 2 2 258.406 0.902 20 0 CCADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)CO[C@H](C)COC)C1 ZINC000389555061 545087030 /nfs/dbraw/zinc/08/70/30/545087030.db2.gz QYYIHICYQDVSOT-RDBSUJKOSA-N 2 2 274.405 0.473 20 0 CCADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)CO[C@H](C)COC)C1 ZINC000389555061 545087031 /nfs/dbraw/zinc/08/70/31/545087031.db2.gz QYYIHICYQDVSOT-RDBSUJKOSA-N 2 2 274.405 0.473 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cocn1 ZINC000428872074 303299765 /nfs/dbraw/zinc/29/97/65/303299765.db2.gz LDHIFLZXVKRLOW-NSHDSACASA-N 2 2 252.318 0.104 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cocn1 ZINC000428872074 303299768 /nfs/dbraw/zinc/29/97/68/303299768.db2.gz LDHIFLZXVKRLOW-NSHDSACASA-N 2 2 252.318 0.104 20 0 CCADLP [NH3+]C1(C[NH2+]CC(=O)N2CCO[C@H]3CCCC[C@H]32)CCC1 ZINC000342125528 303359638 /nfs/dbraw/zinc/35/96/38/303359638.db2.gz JDOQOGJVKKNDSQ-OLZOCXBDSA-N 2 2 281.400 0.627 20 0 CCADLP [NH3+]CCOCC[N@H+](CC[NH3+])CCc1ccccc1 ZINC000357084703 303383155 /nfs/dbraw/zinc/38/31/55/303383155.db2.gz JRRAQRSKASWXSZ-UHFFFAOYSA-N 3 2 251.374 0.465 20 0 CCADLP [NH3+]CCOCC[N@@H+](CC[NH3+])CCc1ccccc1 ZINC000357084703 303383156 /nfs/dbraw/zinc/38/31/56/303383156.db2.gz JRRAQRSKASWXSZ-UHFFFAOYSA-N 3 2 251.374 0.465 20 0 CCADLP CCOC[C@@H](O)C[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000580324590 327807963 /nfs/dbraw/zinc/80/79/63/327807963.db2.gz BAFGHVDENIEWRX-ZDUSSCGKSA-N 2 2 274.405 0.209 20 0 CCADLP COC(=O)C[C@H]([NH3+])c1nc(C2([NH3+])CCCCC2)no1 ZINC000424352131 533701418 /nfs/dbraw/zinc/70/14/18/533701418.db2.gz XWMTVOFODPTJRM-QMMMGPOBSA-N 2 2 268.317 0.751 20 0 CCADLP COC[C@@]1(C(=O)N[C@H](C)Cn2cc[nH+]c2)CC[NH2+]C1 ZINC000388396946 327877437 /nfs/dbraw/zinc/87/74/37/327877437.db2.gz XBKGWBMQNUOYTC-DGCLKSJQSA-N 2 2 266.345 0.014 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C)[NH+]1CC(C)C1 ZINC000584182029 327061450 /nfs/dbraw/zinc/06/14/50/327061450.db2.gz PEUHBVFJTRAOOT-RWMBFGLXSA-N 2 2 253.390 0.878 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C)[NH+]1CC(C)C1 ZINC000584182029 327061451 /nfs/dbraw/zinc/06/14/51/327061451.db2.gz PEUHBVFJTRAOOT-RWMBFGLXSA-N 2 2 253.390 0.878 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@@H]3CC[NH2+][C@H]3C)CC2)cc[nH+]1 ZINC000566008482 327112689 /nfs/dbraw/zinc/11/26/89/327112689.db2.gz JJUBPYXEXKZTML-WCQYABFASA-N 2 2 289.383 0.432 20 0 CCADLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)[C@H](C)C[NH2+]1 ZINC000566187927 327160646 /nfs/dbraw/zinc/16/06/46/327160646.db2.gz MCCLFWDCERYTFE-GHMZBOCLSA-N 2 2 286.339 0.485 20 0 CCADLP Cn1cnc2cc(CN3CC[N@H+](C)C[C@H]3C[NH3+])ccc21 ZINC000584291544 327223265 /nfs/dbraw/zinc/22/32/65/327223265.db2.gz VYTROUGDVGBGBB-CYBMUJFWSA-N 2 2 273.384 0.648 20 0 CCADLP Cn1cnc2cc(CN3CC[N@@H+](C)C[C@H]3C[NH3+])ccc21 ZINC000584291544 327223267 /nfs/dbraw/zinc/22/32/67/327223267.db2.gz VYTROUGDVGBGBB-CYBMUJFWSA-N 2 2 273.384 0.648 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2ccno2)C1 ZINC000578627599 327346308 /nfs/dbraw/zinc/34/63/08/327346308.db2.gz ZQPFKXHKVTYEBM-NSHDSACASA-N 2 2 264.329 0.071 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2ccno2)C1 ZINC000578627599 327346309 /nfs/dbraw/zinc/34/63/09/327346309.db2.gz ZQPFKXHKVTYEBM-NSHDSACASA-N 2 2 264.329 0.071 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)COC1CCC([NH3+])CC1 ZINC000582417450 328983863 /nfs/dbraw/zinc/98/38/63/328983863.db2.gz BOBJRJPKMBLEIS-PNESKVBLSA-N 2 2 280.372 0.674 20 0 CCADLP COc1nccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)n1 ZINC000395114967 329276428 /nfs/dbraw/zinc/27/64/28/329276428.db2.gz FQEYBXQTPBLCRN-NSHDSACASA-N 2 2 250.346 0.917 20 0 CCADLP COc1nccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000395114967 329276429 /nfs/dbraw/zinc/27/64/29/329276429.db2.gz FQEYBXQTPBLCRN-NSHDSACASA-N 2 2 250.346 0.917 20 0 CCADLP C[C@H](C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)[NH+]1CC(C)C1 ZINC000583151638 329323052 /nfs/dbraw/zinc/32/30/52/329323052.db2.gz GXXYVTOSNVCXAF-GHMZBOCLSA-N 2 2 262.357 0.723 20 0 CCADLP Cn1cc[nH+]c1CN(CC[NH+](C)C)CC[NH+](C)C ZINC000583171243 329332263 /nfs/dbraw/zinc/33/22/63/329332263.db2.gz ZOCFIXZQZRXBPM-UHFFFAOYSA-N 3 2 253.394 0.345 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000580432065 330131858 /nfs/dbraw/zinc/13/18/58/330131858.db2.gz QGYWORHQZZLCOS-BXUZGUMPSA-N 2 2 282.388 0.296 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000580432065 330131859 /nfs/dbraw/zinc/13/18/59/330131859.db2.gz QGYWORHQZZLCOS-BXUZGUMPSA-N 2 2 282.388 0.296 20 0 CCADLP Cc1cccn2cc(CC(=O)NC[C@@H]3C[NH2+]CCO3)[nH+]c12 ZINC000575926208 335131910 /nfs/dbraw/zinc/13/19/10/335131910.db2.gz QZTWDSPELYSQFL-ZDUSSCGKSA-N 2 2 288.351 0.290 20 0 CCADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C[C@@H](O)Cn1cccn1)CCC2 ZINC000575981488 335137532 /nfs/dbraw/zinc/13/75/32/335137532.db2.gz OIHAQTYNMDASPO-UONOGXRCSA-N 2 2 289.383 0.916 20 0 CCADLP [NH3+][C@H]1C[C@@H]2CN(c3[nH]c4ccccc4[nH+]3)CCN2C1=O ZINC000572855726 334884722 /nfs/dbraw/zinc/88/47/22/334884722.db2.gz KHPZWLAZVGTBNQ-ZJUUUORDSA-N 2 2 271.324 0.311 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000576475892 335209044 /nfs/dbraw/zinc/20/90/44/335209044.db2.gz PDHCJFWVBXGSCQ-KGLIPLIRSA-N 2 2 294.395 0.388 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000576475892 335209045 /nfs/dbraw/zinc/20/90/45/335209045.db2.gz PDHCJFWVBXGSCQ-KGLIPLIRSA-N 2 2 294.395 0.388 20 0 CCADLP Nc1[nH+]cnc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1Cl ZINC000576493852 335211420 /nfs/dbraw/zinc/21/14/20/335211420.db2.gz HDJOEGXYVGCYKD-XLPZGREQSA-N 2 2 253.737 0.886 20 0 CCADLP Nc1nc[nH+]c(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1Cl ZINC000576493852 335211421 /nfs/dbraw/zinc/21/14/21/335211421.db2.gz HDJOEGXYVGCYKD-XLPZGREQSA-N 2 2 253.737 0.886 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@H]2CCCS2)C[C@@H](C)O1 ZINC000576508695 335212497 /nfs/dbraw/zinc/21/24/97/335212497.db2.gz IHMVTXYDUTXGRG-AAVRWANBSA-N 2 2 288.457 0.942 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](CCO)Cc1cccc(F)c1 ZINC000576644953 335230372 /nfs/dbraw/zinc/23/03/72/335230372.db2.gz OEYZVSKEKDDMJP-HNNXBMFYSA-N 2 2 284.375 0.933 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](CCO)Cc1cccc(F)c1 ZINC000576644953 335230374 /nfs/dbraw/zinc/23/03/74/335230374.db2.gz OEYZVSKEKDDMJP-HNNXBMFYSA-N 2 2 284.375 0.933 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](CCO)Cc1cccc(F)c1 ZINC000576644953 335230376 /nfs/dbraw/zinc/23/03/76/335230376.db2.gz OEYZVSKEKDDMJP-HNNXBMFYSA-N 2 2 284.375 0.933 20 0 CCADLP C[C@]1(CNC(=O)[C@H]([NH3+])c2cscn2)CCC[NH2+]C1 ZINC000576696454 335235713 /nfs/dbraw/zinc/23/57/13/335235713.db2.gz POVSWUFUPWWHCH-PWSUYJOCSA-N 2 2 268.386 0.649 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCC[C@@H]2CCCCO2)[C@H](C[NH3+])C1 ZINC000576729993 335240927 /nfs/dbraw/zinc/24/09/27/335240927.db2.gz 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ZINC000577390212 335347110 /nfs/dbraw/zinc/34/71/10/335347110.db2.gz LJLIVUGGQSAHTQ-SDDRHHMPSA-N 2 2 278.356 0.493 20 0 CCADLP CCCNC(=O)[C@H](C)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177373557 335371367 /nfs/dbraw/zinc/37/13/67/335371367.db2.gz LMWVSEOAXPYTCX-AWEZNQCLSA-N 2 2 298.475 0.859 20 0 CCADLP CCCNC(=O)[C@H](C)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177373557 335371368 /nfs/dbraw/zinc/37/13/68/335371368.db2.gz LMWVSEOAXPYTCX-AWEZNQCLSA-N 2 2 298.475 0.859 20 0 CCADLP CCCNC(=O)[C@H](C)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177373557 335371369 /nfs/dbraw/zinc/37/13/69/335371369.db2.gz LMWVSEOAXPYTCX-AWEZNQCLSA-N 2 2 298.475 0.859 20 0 CCADLP CCCNC(=O)[C@H](C)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177373557 335371370 /nfs/dbraw/zinc/37/13/70/335371370.db2.gz LMWVSEOAXPYTCX-AWEZNQCLSA-N 2 2 298.475 0.859 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CCCN2CCCC2=O)n1C ZINC000578907739 335688782 /nfs/dbraw/zinc/68/87/82/335688782.db2.gz AFNAHPREYMTVPJ-UHFFFAOYSA-N 2 2 250.346 0.831 20 0 CCADLP [NH3+][C@H](C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)C1CCC1 ZINC000579469737 335766069 /nfs/dbraw/zinc/76/60/69/335766069.db2.gz NWCFTUAXBWZBAG-ZDUSSCGKSA-N 2 2 277.372 0.181 20 0 CCADLP [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000580832842 335972515 /nfs/dbraw/zinc/97/25/15/335972515.db2.gz GGABXFVXOBTQGT-GHMZBOCLSA-N 2 2 286.339 0.520 20 0 CCADLP CC[C@H](CCO)C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581131181 336012897 /nfs/dbraw/zinc/01/28/97/336012897.db2.gz AZVVMTGRVYSLHO-LXTVHRRPSA-N 2 2 288.432 0.455 20 0 CCADLP CC[C@H](CCO)C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581131181 336012898 /nfs/dbraw/zinc/01/28/98/336012898.db2.gz AZVVMTGRVYSLHO-LXTVHRRPSA-N 2 2 288.432 0.455 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[C@]3(CC[NH2+]C3)C2)CCO1 ZINC000581132783 336013447 /nfs/dbraw/zinc/01/34/47/336013447.db2.gz QCCYTAUDEGZJGZ-KGLIPLIRSA-N 2 2 253.390 0.393 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[C@]3(CC[NH2+]C3)C2)CCO1 ZINC000581132783 336013448 /nfs/dbraw/zinc/01/34/48/336013448.db2.gz QCCYTAUDEGZJGZ-KGLIPLIRSA-N 2 2 253.390 0.393 20 0 CCADLP Cc1cc(N2CC[C@@H]([N@@H+]3CCC[C@@H](C[NH3+])C3)C2=O)n(C)n1 ZINC000581133810 336013552 /nfs/dbraw/zinc/01/35/52/336013552.db2.gz FLBBRMNVESCBDR-QWHCGFSZSA-N 2 2 291.399 0.505 20 0 CCADLP Cc1cc(N2CC[C@@H]([N@H+]3CCC[C@@H](C[NH3+])C3)C2=O)n(C)n1 ZINC000581133810 336013553 /nfs/dbraw/zinc/01/35/53/336013553.db2.gz FLBBRMNVESCBDR-QWHCGFSZSA-N 2 2 291.399 0.505 20 0 CCADLP COC[C@@]1(C[NH2+]Cc2cnc(N)s2)CCC[NH2+]1 ZINC000581310737 336045698 /nfs/dbraw/zinc/04/56/98/336045698.db2.gz NDFFHMQRAADNQN-NSHDSACASA-N 2 2 256.375 0.414 20 0 CCADLP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NCCc1[nH]cc[nH+]1 ZINC000381049507 336047302 /nfs/dbraw/zinc/04/73/02/336047302.db2.gz YHEOCVZLJQZMQB-GHMZBOCLSA-N 2 2 250.346 0.976 20 0 CCADLP C(COC[C@@H]1CCCO1)[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000581423339 336074708 /nfs/dbraw/zinc/07/47/08/336074708.db2.gz BRTXIUUVNISGAJ-RRFJBIMHSA-N 2 2 284.400 0.539 20 0 CCADLP CCC[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])OC ZINC000581598012 336109535 /nfs/dbraw/zinc/10/95/35/336109535.db2.gz XITRHQAXLHNCBZ-NEPJUHHUSA-N 2 2 272.393 0.086 20 0 CCADLP Cc1nnsc1C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000384269491 336123135 /nfs/dbraw/zinc/12/31/35/336123135.db2.gz RCPUFLGTQRNPCU-JTQLQIEISA-N 2 2 256.375 0.391 20 0 CCADLP Cc1nnsc1C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000384269491 336123137 /nfs/dbraw/zinc/12/31/37/336123137.db2.gz RCPUFLGTQRNPCU-JTQLQIEISA-N 2 2 256.375 0.391 20 0 CCADLP C[NH+]1CCC(CCNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1 ZINC000581776954 336145636 /nfs/dbraw/zinc/14/56/36/336145636.db2.gz HJHHYRVQYCGVHD-CQSZACIVSA-N 3 2 297.447 0.003 20 0 CCADLP C[NH+]1CCC(CCNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1 ZINC000581776954 336145638 /nfs/dbraw/zinc/14/56/38/336145638.db2.gz HJHHYRVQYCGVHD-CQSZACIVSA-N 3 2 297.447 0.003 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000581873934 336155994 /nfs/dbraw/zinc/15/59/94/336155994.db2.gz 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ZINC000405725583 545092330 /nfs/dbraw/zinc/09/23/30/545092330.db2.gz VJWZQDYWUAPTEZ-NWDGAFQWSA-N 2 2 262.357 0.603 20 0 CCADLP CCc1nc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc(C)[nH+]1 ZINC000405725583 545092331 /nfs/dbraw/zinc/09/23/31/545092331.db2.gz VJWZQDYWUAPTEZ-NWDGAFQWSA-N 2 2 262.357 0.603 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCCn2cc[nH+]c2)CC[N@@H+]1C ZINC000352707513 534073040 /nfs/dbraw/zinc/07/30/40/534073040.db2.gz SFVYVBRULLTBMA-RYUDHWBXSA-N 2 2 250.346 0.730 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCCn2cc[nH+]c2)CC[N@H+]1C ZINC000352707513 534073047 /nfs/dbraw/zinc/07/30/47/534073047.db2.gz SFVYVBRULLTBMA-RYUDHWBXSA-N 2 2 250.346 0.730 20 0 CCADLP C[C@H](CNC(=O)C[C@H]1CCCC[C@H]1[NH3+])[NH+]1CCOCC1 ZINC000449319176 534078487 /nfs/dbraw/zinc/07/84/87/534078487.db2.gz JDZJLYQWGIFOPS-MGPQQGTHSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000333844555 534079149 /nfs/dbraw/zinc/07/91/49/534079149.db2.gz VWGPPHHNGHOHMB-OLZOCXBDSA-N 2 2 296.415 0.148 20 0 CCADLP CC[N@H+]1C[C@H](C)N(CC[NH+]2CCOCC2)C[C@H]1C ZINC000346192618 535780472 /nfs/dbraw/zinc/78/04/72/535780472.db2.gz POSGWXOEVBDIFK-KGLIPLIRSA-N 2 2 255.406 0.733 20 0 CCADLP CC(=O)NCC1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000312656246 534356654 /nfs/dbraw/zinc/35/66/54/534356654.db2.gz JXMGNLVYVULRDE-HNNXBMFYSA-N 2 2 283.416 0.290 20 0 CCADLP CC(=O)NCC1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000312656246 534356648 /nfs/dbraw/zinc/35/66/48/534356648.db2.gz JXMGNLVYVULRDE-HNNXBMFYSA-N 2 2 283.416 0.290 20 0 CCADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]CC[C@H]1CCOC1 ZINC000449386730 534360039 /nfs/dbraw/zinc/36/00/39/534360039.db2.gz JIKVQTNUIZLLQU-UONOGXRCSA-N 2 2 256.390 0.849 20 0 CCADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]CC[C@H]1CCOC1 ZINC000449386730 534360045 /nfs/dbraw/zinc/36/00/45/534360045.db2.gz JIKVQTNUIZLLQU-UONOGXRCSA-N 2 2 256.390 0.849 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000366321638 519524071 /nfs/dbraw/zinc/52/40/71/519524071.db2.gz HTMZEMVBGWAGSR-ZDUSSCGKSA-N 2 2 268.336 0.857 20 0 CCADLP CCCNC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150798497 519877422 /nfs/dbraw/zinc/87/74/22/519877422.db2.gz ZHWRYADBEGHUIR-ZDUSSCGKSA-N 2 2 253.390 0.930 20 0 CCADLP CCCNC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150798497 519877424 /nfs/dbraw/zinc/87/74/24/519877424.db2.gz ZHWRYADBEGHUIR-ZDUSSCGKSA-N 2 2 253.390 0.930 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424192009 534501882 /nfs/dbraw/zinc/50/18/82/534501882.db2.gz OLGFJBDBQJGAEG-SNVBAGLBSA-N 2 2 272.299 0.634 20 0 CCADLP [NH3+]C1(C(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)CCC1 ZINC000449346246 534529509 /nfs/dbraw/zinc/52/95/09/534529509.db2.gz YNPGAPZTVSMEEW-UHFFFAOYSA-N 2 2 289.379 0.918 20 0 CCADLP Cc1c[nH+]c(CN2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)n1C ZINC000449531604 534552201 /nfs/dbraw/zinc/55/22/01/534552201.db2.gz GYQKQJVTWIWZFP-BETUJISGSA-N 2 2 266.389 0.615 20 0 CCADLP Cc1c[nH+]c(CN2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)n1C ZINC000449531604 534552203 /nfs/dbraw/zinc/55/22/03/534552203.db2.gz GYQKQJVTWIWZFP-BETUJISGSA-N 2 2 266.389 0.615 20 0 CCADLP CCN1C(=O)[C@H]2C[N@H+](CC[C@@H]3CCC[NH+]3C)CCN2C1=O ZINC000363459218 521534078 /nfs/dbraw/zinc/53/40/78/521534078.db2.gz IPOCWCADIUNJFV-QWHCGFSZSA-N 2 2 294.399 0.439 20 0 CCADLP CCN1C(=O)[C@H]2C[N@@H+](CC[C@@H]3CCC[NH+]3C)CCN2C1=O ZINC000363459218 521534084 /nfs/dbraw/zinc/53/40/84/521534084.db2.gz IPOCWCADIUNJFV-QWHCGFSZSA-N 2 2 294.399 0.439 20 0 CCADLP CCN1C(=O)[C@H]2C[NH+](CC[C@@H]3CCC[N@@H+]3C)CCN2C1=O ZINC000363459218 521534089 /nfs/dbraw/zinc/53/40/89/521534089.db2.gz IPOCWCADIUNJFV-QWHCGFSZSA-N 2 2 294.399 0.439 20 0 CCADLP CCN1C(=O)[C@H]2C[NH+](CC[C@@H]3CCC[N@H+]3C)CCN2C1=O ZINC000363459218 521534093 /nfs/dbraw/zinc/53/40/93/521534093.db2.gz IPOCWCADIUNJFV-QWHCGFSZSA-N 2 2 294.399 0.439 20 0 CCADLP CNC(=O)c1ccc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000068803317 521818267 /nfs/dbraw/zinc/81/82/67/521818267.db2.gz GSNDXEXADRRHCI-HNNXBMFYSA-N 2 2 290.411 0.382 20 0 CCADLP CNC(=O)c1ccc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000068803317 521818274 /nfs/dbraw/zinc/81/82/74/521818274.db2.gz GSNDXEXADRRHCI-HNNXBMFYSA-N 2 2 290.411 0.382 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000155774555 521946760 /nfs/dbraw/zinc/94/67/60/521946760.db2.gz RFZXUARQJXQPBX-XUXIUFHCSA-N 2 2 283.416 0.539 20 0 CCADLP COC(=O)CCNC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150838037 523093222 /nfs/dbraw/zinc/09/32/22/523093222.db2.gz NNBNQMMRBFJTHH-ZDUSSCGKSA-N 2 2 297.399 0.083 20 0 CCADLP COC(=O)CCNC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150838037 523093230 /nfs/dbraw/zinc/09/32/30/523093230.db2.gz NNBNQMMRBFJTHH-ZDUSSCGKSA-N 2 2 297.399 0.083 20 0 CCADLP COCCCNC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000157359825 523326491 /nfs/dbraw/zinc/32/64/91/523326491.db2.gz DFDCCMFNSCCXEJ-AWEZNQCLSA-N 2 2 283.416 0.557 20 0 CCADLP COCCCNC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000157359825 523326486 /nfs/dbraw/zinc/32/64/86/523326486.db2.gz DFDCCMFNSCCXEJ-AWEZNQCLSA-N 2 2 283.416 0.557 20 0 CCADLP CN1C(=O)C[C@@H]([N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1=O ZINC000370649611 523700875 /nfs/dbraw/zinc/70/08/75/523700875.db2.gz ZLIRWXRWMBZFIA-VXGBXAGGSA-N 2 2 275.308 0.292 20 0 CCADLP CN1C(=O)C[C@@H]([N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1=O ZINC000370649611 523700882 /nfs/dbraw/zinc/70/08/82/523700882.db2.gz ZLIRWXRWMBZFIA-VXGBXAGGSA-N 2 2 275.308 0.292 20 0 CCADLP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2c[nH]cn2)CC1 ZINC000054763842 523886257 /nfs/dbraw/zinc/88/62/57/523886257.db2.gz FEOIEBWVLKHWCP-UHFFFAOYSA-N 2 2 251.378 0.525 20 0 CCADLP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2c[nH+]c[nH]2)CC1 ZINC000054763842 523886262 /nfs/dbraw/zinc/88/62/62/523886262.db2.gz FEOIEBWVLKHWCP-UHFFFAOYSA-N 3 2 251.378 0.525 20 0 CCADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2ncc[nH]2)CC1 ZINC000067694532 523931436 /nfs/dbraw/zinc/93/14/36/523931436.db2.gz LFLKHZHJUCVANO-UHFFFAOYSA-N 2 2 286.383 0.846 20 0 CCADLP CN1C[C@H]([NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1=O ZINC000363779385 524024719 /nfs/dbraw/zinc/02/47/19/524024719.db2.gz DIJDBCDWKOURMM-OAHLLOKOSA-N 2 2 288.395 0.866 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@H]([NH3+])C(C)C)CC2)cc[nH+]1 ZINC000423785510 534754926 /nfs/dbraw/zinc/75/49/26/534754926.db2.gz RWKUMAGLPJJTKL-CYBMUJFWSA-N 2 2 277.372 0.417 20 0 CCADLP Cn1cc[nH+]c1N1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492778049 534792659 /nfs/dbraw/zinc/79/26/59/534792659.db2.gz QOVFGZFXLRNYKN-IHWYPQMZSA-N 2 2 286.339 0.505 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000340937926 524904809 /nfs/dbraw/zinc/90/48/09/524904809.db2.gz JTOVKWPXLIQOEL-VXGBXAGGSA-N 2 2 250.346 0.587 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000340937926 524904820 /nfs/dbraw/zinc/90/48/20/524904820.db2.gz JTOVKWPXLIQOEL-VXGBXAGGSA-N 2 2 250.346 0.587 20 0 CCADLP CS(=O)(=O)CCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150784975 525115135 /nfs/dbraw/zinc/11/51/35/525115135.db2.gz YCCTVXJHKUEGCS-CYBMUJFWSA-N 2 2 274.430 0.839 20 0 CCADLP CS(=O)(=O)CCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150784975 525115142 /nfs/dbraw/zinc/11/51/42/525115142.db2.gz YCCTVXJHKUEGCS-CYBMUJFWSA-N 2 2 274.430 0.839 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H](CO)O2)C[N@@H+]1C1CC1 ZINC000340409414 525440200 /nfs/dbraw/zinc/44/02/00/525440200.db2.gz AGPHMOGEXLPVJD-UVLXDEKHSA-N 2 2 254.374 0.741 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H](CO)O2)C[N@H+]1C1CC1 ZINC000340409414 525440209 /nfs/dbraw/zinc/44/02/09/525440209.db2.gz AGPHMOGEXLPVJD-UVLXDEKHSA-N 2 2 254.374 0.741 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)C1(C[NH3+])CCOCC1 ZINC000262059467 534908897 /nfs/dbraw/zinc/90/88/97/534908897.db2.gz ASQSLKFWPNECHD-UHFFFAOYSA-N 2 2 294.399 0.911 20 0 CCADLP CC(=O)N1CCC[C@H](C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000355416156 526588734 /nfs/dbraw/zinc/58/87/34/526588734.db2.gz DEGGIJWSAWGPKL-YUTCNCBUSA-N 2 2 253.390 0.785 20 0 CCADLP CC(=O)N1CCC[C@H](C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000355416156 526588739 /nfs/dbraw/zinc/58/87/39/526588739.db2.gz DEGGIJWSAWGPKL-YUTCNCBUSA-N 2 2 253.390 0.785 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)N1CCOCC1 ZINC000157439414 526751066 /nfs/dbraw/zinc/75/10/66/526751066.db2.gz LWPAJVOVCSSNPV-OAHLLOKOSA-N 2 2 295.427 0.796 20 0 CCADLP O=C(C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)N1CCOCC1 ZINC000157439414 526751068 /nfs/dbraw/zinc/75/10/68/526751068.db2.gz LWPAJVOVCSSNPV-OAHLLOKOSA-N 2 2 295.427 0.796 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)NCC1CC1 ZINC000150850439 526798844 /nfs/dbraw/zinc/79/88/44/526798844.db2.gz ZXHNQVWPLQAWSK-AWEZNQCLSA-N 2 2 265.401 0.930 20 0 CCADLP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)NCC1CC1 ZINC000150850439 526798851 /nfs/dbraw/zinc/79/88/51/526798851.db2.gz ZXHNQVWPLQAWSK-AWEZNQCLSA-N 2 2 265.401 0.930 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000666922236 545134390 /nfs/dbraw/zinc/13/43/90/545134390.db2.gz MTPVKGSUPJQRCI-GFCCVEGCSA-N 2 2 277.372 0.893 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000666922236 545134391 /nfs/dbraw/zinc/13/43/91/545134391.db2.gz MTPVKGSUPJQRCI-GFCCVEGCSA-N 2 2 277.372 0.893 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2cnc3ccccn23)CCCO1 ZINC000667045116 545137646 /nfs/dbraw/zinc/13/76/46/545137646.db2.gz WLODNEKDRHKLND-ZDUSSCGKSA-N 2 2 260.341 0.884 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2cnc3ccccn23)CCCO1 ZINC000667045116 545137647 /nfs/dbraw/zinc/13/76/47/545137647.db2.gz WLODNEKDRHKLND-ZDUSSCGKSA-N 2 2 260.341 0.884 20 0 CCADLP [NH3+]C[C@H]1CN(Cc2c[nH+]c3ccccn23)CCCO1 ZINC000667045116 545137648 /nfs/dbraw/zinc/13/76/48/545137648.db2.gz WLODNEKDRHKLND-ZDUSSCGKSA-N 2 2 260.341 0.884 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[N@H+](C)C1CC1 ZINC000667158677 545139965 /nfs/dbraw/zinc/13/99/65/545139965.db2.gz FJKQDYRMMUHJSH-VXGBXAGGSA-N 2 2 262.357 0.734 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[N@@H+](C)C1CC1 ZINC000667158677 545139966 /nfs/dbraw/zinc/13/99/66/545139966.db2.gz FJKQDYRMMUHJSH-VXGBXAGGSA-N 2 2 262.357 0.734 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000667182593 545140543 /nfs/dbraw/zinc/14/05/43/545140543.db2.gz FOZGUJBUARVBGD-WDEREUQCSA-N 2 2 274.368 0.868 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000667182593 545140544 /nfs/dbraw/zinc/14/05/44/545140544.db2.gz FOZGUJBUARVBGD-WDEREUQCSA-N 2 2 274.368 0.868 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000667182593 545140545 /nfs/dbraw/zinc/14/05/45/545140545.db2.gz FOZGUJBUARVBGD-WDEREUQCSA-N 2 2 274.368 0.868 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000667182593 545140546 /nfs/dbraw/zinc/14/05/46/545140546.db2.gz FOZGUJBUARVBGD-WDEREUQCSA-N 2 2 274.368 0.868 20 0 CCADLP COCCN(CC[NH+](C)C)C(=O)N[C@H](C)c1[nH+]ccn1C ZINC000667256058 545142694 /nfs/dbraw/zinc/14/26/94/545142694.db2.gz CMBRRPIYYJOSKH-GFCCVEGCSA-N 2 2 297.403 0.701 20 0 CCADLP Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)c(C)[nH+]1 ZINC000667262810 545142833 /nfs/dbraw/zinc/14/28/33/545142833.db2.gz NVRAMGKXYJEMBH-GFCCVEGCSA-N 2 2 290.367 0.895 20 0 CCADLP COCC[NH+]1CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000667492814 545148793 /nfs/dbraw/zinc/14/87/93/545148793.db2.gz XXBQXHOJWUDUPB-UHFFFAOYSA-N 2 2 264.373 0.593 20 0 CCADLP c1[nH+]c2n(c1C[N@@H+]1CCN3CCOC[C@H]3C1)CCC2 ZINC000667982692 545160149 /nfs/dbraw/zinc/16/01/49/545160149.db2.gz NGEMKYSZPSQQPB-CYBMUJFWSA-N 2 2 262.357 0.346 20 0 CCADLP c1[nH+]c2n(c1C[N@H+]1CCN3CCOC[C@H]3C1)CCC2 ZINC000667982692 545160150 /nfs/dbraw/zinc/16/01/50/545160150.db2.gz NGEMKYSZPSQQPB-CYBMUJFWSA-N 2 2 262.357 0.346 20 0 CCADLP C[NH+](C)C1(C(=O)N2CC(Oc3cc[nH+]cc3)C2)CC1 ZINC000668085825 545162934 /nfs/dbraw/zinc/16/29/34/545162934.db2.gz VKANHMGNGDEWRZ-UHFFFAOYSA-N 2 2 261.325 0.765 20 0 CCADLP CNC(=O)[C@@]1(C)CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668098934 545163400 /nfs/dbraw/zinc/16/34/00/545163400.db2.gz VPUTYXMHETYQTE-AWEZNQCLSA-N 2 2 262.357 0.787 20 0 CCADLP CNC(=O)[C@@]1(C)CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668098934 545163401 /nfs/dbraw/zinc/16/34/01/545163401.db2.gz VPUTYXMHETYQTE-AWEZNQCLSA-N 2 2 262.357 0.787 20 0 CCADLP C(C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)C[NH2+]C1CC1 ZINC000423572780 527483774 /nfs/dbraw/zinc/48/37/74/527483774.db2.gz YRTSQATZJWAJJO-KBPBESRZSA-N 3 2 253.390 0.485 20 0 CCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NCc1csnn1 ZINC000668474899 545178894 /nfs/dbraw/zinc/17/88/94/545178894.db2.gz IHDVNOZJFVYPHT-NSHDSACASA-N 2 2 271.434 0.900 20 0 CCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NCc1csnn1 ZINC000668474899 545178895 /nfs/dbraw/zinc/17/88/95/545178895.db2.gz IHDVNOZJFVYPHT-NSHDSACASA-N 2 2 271.434 0.900 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC000668557106 545181697 /nfs/dbraw/zinc/18/16/97/545181697.db2.gz CQZLCKBBNDJDCL-UHFFFAOYSA-N 2 2 269.389 0.261 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)Nc2c[nH+]c3n2CCCC3)C1 ZINC000452332606 527739075 /nfs/dbraw/zinc/73/90/75/527739075.db2.gz HQNUDCGJGZNACR-NSHDSACASA-N 2 2 278.356 0.879 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)Nc2c[nH+]c3n2CCCC3)C1 ZINC000452332606 527739080 /nfs/dbraw/zinc/73/90/80/527739080.db2.gz HQNUDCGJGZNACR-NSHDSACASA-N 2 2 278.356 0.879 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]C[C@H]2CCN(C)C(=O)C2)[C@@H](C)C1 ZINC000424185755 527990386 /nfs/dbraw/zinc/99/03/86/527990386.db2.gz HIAOWKSPUZIMAN-AVGNSLFASA-N 2 2 253.390 0.785 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]C[C@H]2CCN(C)C(=O)C2)[C@@H](C)C1 ZINC000424185755 527990391 /nfs/dbraw/zinc/99/03/91/527990391.db2.gz HIAOWKSPUZIMAN-AVGNSLFASA-N 2 2 253.390 0.785 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+][C@H]2CC(=O)N(C3CC3)C2)[C@@H](C)C1 ZINC000358386005 527993897 /nfs/dbraw/zinc/99/38/97/527993897.db2.gz SBCBFKAIYAOEHH-GVXVVHGQSA-N 2 2 251.374 0.680 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+][C@H]2CC(=O)N(C3CC3)C2)[C@@H](C)C1 ZINC000358386005 527993898 /nfs/dbraw/zinc/99/38/98/527993898.db2.gz SBCBFKAIYAOEHH-GVXVVHGQSA-N 2 2 251.374 0.680 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)NC/C=C\C[NH3+])cn21 ZINC000669554535 545214611 /nfs/dbraw/zinc/21/46/11/545214611.db2.gz NBTRNHOTCUPXNF-IHWYPQMZSA-N 2 2 273.340 0.957 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](C(C)(C)CO)CC2)CCO1 ZINC000669691348 545218994 /nfs/dbraw/zinc/21/89/94/545218994.db2.gz VQHZSNJWDKLKTG-CQSZACIVSA-N 2 2 285.432 0.096 20 0 CCADLP CN(C)c1cc[nH+]cc1C[NH2+]C1CC(NS(C)(=O)=O)C1 ZINC000669831493 545221826 /nfs/dbraw/zinc/22/18/26/545221826.db2.gz AEFOFPQRLTVNNR-UHFFFAOYSA-N 2 2 298.412 0.317 20 0 CCADLP CN(CCCC[NH+](C)C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000669906269 545223009 /nfs/dbraw/zinc/22/30/09/545223009.db2.gz CUSICDUDVCAQQC-UHFFFAOYSA-N 2 2 285.432 0.897 20 0 CCADLP CC[N@@H+]1CCN(CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000669932139 545223676 /nfs/dbraw/zinc/22/36/76/545223676.db2.gz BDVOURHXDHFBTE-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP CC[N@H+]1CCN(CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000669932139 545223677 /nfs/dbraw/zinc/22/36/77/545223677.db2.gz BDVOURHXDHFBTE-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP CCN1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000669932139 545223678 /nfs/dbraw/zinc/22/36/78/545223678.db2.gz BDVOURHXDHFBTE-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP CCN1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000669932139 545223679 /nfs/dbraw/zinc/22/36/79/545223679.db2.gz BDVOURHXDHFBTE-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP CN(C)c1c[nH+]ccc1NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000670082016 545228415 /nfs/dbraw/zinc/22/84/15/545228415.db2.gz MLNDBYHQKGLPBJ-GFCCVEGCSA-N 2 2 291.399 0.985 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@@H]([NH3+])CC ZINC000423677298 528482312 /nfs/dbraw/zinc/48/23/12/528482312.db2.gz JUXDCIPOYIQMIC-RYUDHWBXSA-N 2 2 257.378 0.341 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@@H]([NH3+])CC ZINC000423677298 528482314 /nfs/dbraw/zinc/48/23/14/528482314.db2.gz JUXDCIPOYIQMIC-RYUDHWBXSA-N 2 2 257.378 0.341 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000449116403 528557942 /nfs/dbraw/zinc/55/79/42/528557942.db2.gz LFMPYKBPFBQUDE-JHJVBQTASA-N 2 2 271.405 0.600 20 0 CCADLP CN1CC[C@H]([N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1=O ZINC000670985286 545240753 /nfs/dbraw/zinc/24/07/53/545240753.db2.gz NFZHKOXXACIIOJ-KGLIPLIRSA-N 2 2 281.400 0.404 20 0 CCADLP CN1CC[C@H]([N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1=O ZINC000670985286 545240754 /nfs/dbraw/zinc/24/07/54/545240754.db2.gz NFZHKOXXACIIOJ-KGLIPLIRSA-N 2 2 281.400 0.404 20 0 CCADLP CCCNC(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670985516 545240812 /nfs/dbraw/zinc/24/08/12/545240812.db2.gz ZBPBEEOUSVTZSA-CQSZACIVSA-N 2 2 283.416 0.699 20 0 CCADLP CCCNC(=O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670985516 545240813 /nfs/dbraw/zinc/24/08/13/545240813.db2.gz ZBPBEEOUSVTZSA-CQSZACIVSA-N 2 2 283.416 0.699 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000430922642 528596164 /nfs/dbraw/zinc/59/61/64/528596164.db2.gz BRYZUAZNVIXHHC-ZDUSSCGKSA-N 2 2 271.405 0.461 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000430922642 528596169 /nfs/dbraw/zinc/59/61/69/528596169.db2.gz BRYZUAZNVIXHHC-ZDUSSCGKSA-N 2 2 271.405 0.461 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@@H](C)[NH2+]C2CC2)CC1 ZINC000449119679 528744159 /nfs/dbraw/zinc/74/41/59/528744159.db2.gz AMKNBLYPXKDSJS-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]CCC2CS(=O)(=O)C2)[C@H]2CCC[C@@H]21 ZINC000671761985 545259553 /nfs/dbraw/zinc/25/95/53/545259553.db2.gz OIFONRGYDVCYNS-RDBSUJKOSA-N 2 2 286.441 0.884 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]CCC2CS(=O)(=O)C2)[C@H]2CCC[C@@H]21 ZINC000671761985 545259554 /nfs/dbraw/zinc/25/95/54/545259554.db2.gz OIFONRGYDVCYNS-RDBSUJKOSA-N 2 2 286.441 0.884 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672145464 545262884 /nfs/dbraw/zinc/26/28/84/545262884.db2.gz IPSUTZAJIAPVIM-LBPRGKRZSA-N 2 2 273.340 0.991 20 0 CCADLP CCC([NH3+])(CC)CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418433522 528933883 /nfs/dbraw/zinc/93/38/83/528933883.db2.gz CWODMBVUXGPFTL-BETUJISGSA-N 2 2 298.431 0.666 20 0 CCADLP CCC([NH3+])(CC)CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418433522 528933886 /nfs/dbraw/zinc/93/38/86/528933886.db2.gz CWODMBVUXGPFTL-BETUJISGSA-N 2 2 298.431 0.666 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](SC)C2)CC1 ZINC000451318119 529132810 /nfs/dbraw/zinc/13/28/10/529132810.db2.gz DXJKGRDFFIQDDO-STQMWFEESA-N 2 2 285.457 0.976 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](SC)C2)CC1 ZINC000451318119 529132808 /nfs/dbraw/zinc/13/28/08/529132808.db2.gz DXJKGRDFFIQDDO-STQMWFEESA-N 2 2 285.457 0.976 20 0 CCADLP C[C@@H](C(=O)NCc1ccc[nH+]c1N1CCOCC1)[NH+](C)C ZINC000674245006 545301432 /nfs/dbraw/zinc/30/14/32/545301432.db2.gz XNNGYZBAWNEQSI-LBPRGKRZSA-N 2 2 292.383 0.485 20 0 CCADLP CCCN(CCC[NH+](C)C)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000347937665 535330297 /nfs/dbraw/zinc/33/02/97/535330297.db2.gz DWABMMWJDCELMU-AWEZNQCLSA-N 2 2 285.432 0.897 20 0 CCADLP CC1(C)C[NH+](CC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)C1 ZINC000514826330 535352344 /nfs/dbraw/zinc/35/23/44/535352344.db2.gz JPNSIMBBOHTQSW-CYBMUJFWSA-N 2 2 283.416 0.291 20 0 CCADLP CC1(C)C[NH+](CC(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000514826330 535352347 /nfs/dbraw/zinc/35/23/47/535352347.db2.gz JPNSIMBBOHTQSW-CYBMUJFWSA-N 2 2 283.416 0.291 20 0 CCADLP Cc1nc(N2CC[NH+](CC(=O)N(C)C)CC2)c(C)c(C)[nH+]1 ZINC000675548667 545328056 /nfs/dbraw/zinc/32/80/56/545328056.db2.gz YSTQGTAUJSZOFL-UHFFFAOYSA-N 2 2 291.399 0.612 20 0 CCADLP O=C1NCCC[C@@H]1[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000675967141 545333063 /nfs/dbraw/zinc/33/30/63/545333063.db2.gz BSKDSRYZKPLGQM-ZDUSSCGKSA-N 2 2 260.341 0.482 20 0 CCADLP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000676719863 545350098 /nfs/dbraw/zinc/35/00/98/545350098.db2.gz OXZJEIWBQWEDCE-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000676719863 545350099 /nfs/dbraw/zinc/35/00/99/545350099.db2.gz OXZJEIWBQWEDCE-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000343487338 535741414 /nfs/dbraw/zinc/74/14/14/535741414.db2.gz CIHQVRTZQNTRDP-RBSFLKMASA-N 3 2 268.449 0.552 20 0 CCADLP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000343487338 535741421 /nfs/dbraw/zinc/74/14/21/535741421.db2.gz CIHQVRTZQNTRDP-RBSFLKMASA-N 3 2 268.449 0.552 20 0 CCADLP CC[N@@H+]1C[C@H](C)N(CC[NH+]2CCOCC2)C[C@H]1C ZINC000346192618 535780470 /nfs/dbraw/zinc/78/04/70/535780470.db2.gz POSGWXOEVBDIFK-KGLIPLIRSA-N 2 2 255.406 0.733 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cnco3)CC2)CC1 ZINC000677526307 545367729 /nfs/dbraw/zinc/36/77/29/545367729.db2.gz KZCZLHKYBFCIGW-UHFFFAOYSA-N 2 2 292.383 0.963 20 0 CCADLP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccn(C)n1 ZINC000349452852 535910299 /nfs/dbraw/zinc/91/02/99/535910299.db2.gz NULRJSZEMDIOFJ-STQMWFEESA-N 2 2 266.389 0.918 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)C[C@@H](O)C2CC2)CC1 ZINC000677891950 545375885 /nfs/dbraw/zinc/37/58/85/545375885.db2.gz GLFCRAZWZRUFQE-GXTWGEPZSA-N 2 2 283.416 0.242 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C2CC2)CC1 ZINC000677891950 545375886 /nfs/dbraw/zinc/37/58/86/545375886.db2.gz GLFCRAZWZRUFQE-GXTWGEPZSA-N 2 2 283.416 0.242 20 0 CCADLP COCCNC(=O)C1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000677982996 545380154 /nfs/dbraw/zinc/38/01/54/545380154.db2.gz QIGKVWKDLIZCPW-UHFFFAOYSA-N 2 2 294.399 0.666 20 0 CCADLP Cn1c[nH+]cc1CN1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000678080690 545383920 /nfs/dbraw/zinc/38/39/20/545383920.db2.gz FNWYPQDTEGQMTD-CQSZACIVSA-N 2 2 291.399 0.334 20 0 CCADLP Cn1c[nH+]cc1CN1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000678080690 545383921 /nfs/dbraw/zinc/38/39/21/545383921.db2.gz FNWYPQDTEGQMTD-CQSZACIVSA-N 2 2 291.399 0.334 20 0 CCADLP c1n[nH]cc1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000678280662 545387968 /nfs/dbraw/zinc/38/79/68/545387968.db2.gz XNBGSIKOEHYUKM-GFCCVEGCSA-N 2 2 250.346 0.564 20 0 CCADLP c1n[nH]cc1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000678280662 545387969 /nfs/dbraw/zinc/38/79/69/545387969.db2.gz XNBGSIKOEHYUKM-GFCCVEGCSA-N 2 2 250.346 0.564 20 0 CCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000349627359 536302516 /nfs/dbraw/zinc/30/25/16/536302516.db2.gz CKMZRXQBKQYXHN-CHWSQXEVSA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000349627359 536302519 /nfs/dbraw/zinc/30/25/19/536302519.db2.gz CKMZRXQBKQYXHN-CHWSQXEVSA-N 2 2 297.399 0.176 20 0 CCADLP Cc1nnc(CN2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)[nH]1 ZINC000678888116 545399696 /nfs/dbraw/zinc/39/96/96/545399696.db2.gz XTCCXGSUTIWOGE-CQSZACIVSA-N 2 2 292.431 0.715 20 0 CCADLP Cc1nnc(CN2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)[nH]1 ZINC000678888116 545399697 /nfs/dbraw/zinc/39/96/97/545399697.db2.gz XTCCXGSUTIWOGE-CQSZACIVSA-N 2 2 292.431 0.715 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cn2ccc3ccccc32)[C@H](C[NH3+])C1 ZINC000517580742 536404545 /nfs/dbraw/zinc/40/45/45/536404545.db2.gz IMEWXHKDBXCKBS-CQSZACIVSA-N 2 2 286.379 0.743 20 0 CCADLP C[N@H+]1CCN(C(=O)Cn2ccc3ccccc32)[C@H](C[NH3+])C1 ZINC000517580742 536404547 /nfs/dbraw/zinc/40/45/47/536404547.db2.gz IMEWXHKDBXCKBS-CQSZACIVSA-N 2 2 286.379 0.743 20 0 CCADLP c1cn(CCN2CC[NH+](C[C@H]3CCCO3)CC2)c[nH+]1 ZINC000679115083 545402224 /nfs/dbraw/zinc/40/22/24/545402224.db2.gz LTTOKPXPIPNDQT-CQSZACIVSA-N 2 2 264.373 0.680 20 0 CCADLP COCC1(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000679306807 545405928 /nfs/dbraw/zinc/40/59/28/545405928.db2.gz UFNSDFKVJBVNJT-ZDUSSCGKSA-N 2 2 295.427 0.698 20 0 CCADLP COCC1(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000679306807 545405929 /nfs/dbraw/zinc/40/59/29/545405929.db2.gz UFNSDFKVJBVNJT-ZDUSSCGKSA-N 2 2 295.427 0.698 20 0 CCADLP COC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000262272771 536655657 /nfs/dbraw/zinc/65/56/57/536655657.db2.gz KQYCNDZZITWFDG-ZJUUUORDSA-N 2 2 252.318 0.437 20 0 CCADLP CC1(C)CN(c2[nH+]cnc3[nH]ccc32)CC[N@@H+]1CCO ZINC000681992014 545468902 /nfs/dbraw/zinc/46/89/02/545468902.db2.gz NVFDACQSHNXCJT-UHFFFAOYSA-N 2 2 275.356 0.851 20 0 CCADLP CC1(C)CN(c2[nH+]cnc3[nH]ccc32)CC[N@H+]1CCO ZINC000681992014 545468903 /nfs/dbraw/zinc/46/89/03/545468903.db2.gz NVFDACQSHNXCJT-UHFFFAOYSA-N 2 2 275.356 0.851 20 0 CCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[N@@H+]1CC(C)(C)O ZINC000682026430 545470362 /nfs/dbraw/zinc/47/03/62/545470362.db2.gz PRIFBTBBCCVTBY-GFCCVEGCSA-N 2 2 280.372 0.187 20 0 CCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[N@H+]1CC(C)(C)O ZINC000682026430 545470363 /nfs/dbraw/zinc/47/03/63/545470363.db2.gz PRIFBTBBCCVTBY-GFCCVEGCSA-N 2 2 280.372 0.187 20 0 CCADLP COc1cc[nH+]c(CN2CC[N@H+](CCO)C(C)(C)C2)c1 ZINC000682038876 545471615 /nfs/dbraw/zinc/47/16/15/545471615.db2.gz UIWMMRXGIUHKRY-UHFFFAOYSA-N 2 2 279.384 0.979 20 0 CCADLP COc1cc[nH+]c(CN2CC[N@@H+](CCO)C(C)(C)C2)c1 ZINC000682038876 545471616 /nfs/dbraw/zinc/47/16/16/545471616.db2.gz UIWMMRXGIUHKRY-UHFFFAOYSA-N 2 2 279.384 0.979 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682460326 545479558 /nfs/dbraw/zinc/47/95/58/545479558.db2.gz QBOHXNQTWRBCJY-RYUDHWBXSA-N 2 2 273.340 0.847 20 0 CCADLP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000682492656 545480492 /nfs/dbraw/zinc/48/04/92/545480492.db2.gz DGVVRVXMZXCAGG-VXGBXAGGSA-N 2 2 262.357 0.656 20 0 CCADLP C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000682492656 545480493 /nfs/dbraw/zinc/48/04/93/545480493.db2.gz DGVVRVXMZXCAGG-VXGBXAGGSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682520819 545482038 /nfs/dbraw/zinc/48/20/38/545482038.db2.gz SMPCYLQZVDBHOY-UPJWGTAASA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682520819 545482039 /nfs/dbraw/zinc/48/20/39/545482039.db2.gz SMPCYLQZVDBHOY-UPJWGTAASA-N 2 2 276.384 0.997 20 0 CCADLP CCN1OC[C@H]([N@H+](C)CCCn2cc[nH+]c2)C1=O ZINC000682676991 545487430 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Cn1c[nH+]cc1CCC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000793290309 581292225 /nfs/dbraw/zinc/29/22/25/581292225.db2.gz DZRYMVBNKLLSDM-KBPBESRZSA-N 2 2 292.383 0.332 20 0 CCADLP CO[C@H]1CC(=O)N(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000793745118 581310680 /nfs/dbraw/zinc/31/06/80/581310680.db2.gz MJJPUSXFUGEWAQ-GXTWGEPZSA-N 2 2 267.373 0.219 20 0 CCADLP CO[C@H]1CC(=O)N(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000793745118 581310682 /nfs/dbraw/zinc/31/06/82/581310682.db2.gz MJJPUSXFUGEWAQ-GXTWGEPZSA-N 2 2 267.373 0.219 20 0 CCADLP CO[C@H]1CC(=O)N(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC000793745118 581310683 /nfs/dbraw/zinc/31/06/83/581310683.db2.gz MJJPUSXFUGEWAQ-GXTWGEPZSA-N 2 2 267.373 0.219 20 0 CCADLP CO[C@H]1CC(=O)N(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)C1 ZINC000793745118 581310684 /nfs/dbraw/zinc/31/06/84/581310684.db2.gz MJJPUSXFUGEWAQ-GXTWGEPZSA-N 2 2 267.373 0.219 20 0 CCADLP C[C@H]1CCOCC[N@@H+]1CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783990614 581370105 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C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ncc[nH]1 ZINC000796771647 581450125 /nfs/dbraw/zinc/45/01/25/581450125.db2.gz LQDPIWKGJIUHFE-KBPBESRZSA-N 2 2 293.415 0.467 20 0 CCADLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ncc[nH]1 ZINC000796771649 581450180 /nfs/dbraw/zinc/45/01/80/581450180.db2.gz LQDPIWKGJIUHFE-UONOGXRCSA-N 2 2 293.415 0.467 20 0 CCADLP OC[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C[C@@H]1O ZINC000787997964 581484401 /nfs/dbraw/zinc/48/44/01/581484401.db2.gz VHBZXXWRXOOYPR-KBPBESRZSA-N 2 2 288.351 0.442 20 0 CCADLP OC[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C[C@@H]1O ZINC000787997964 581484403 /nfs/dbraw/zinc/48/44/03/581484403.db2.gz VHBZXXWRXOOYPR-KBPBESRZSA-N 2 2 288.351 0.442 20 0 CCADLP NC(=O)C[C@H]([NH2+]CC[NH+]1CCCC1)C1CCOCC1 ZINC000754503571 581593784 /nfs/dbraw/zinc/59/37/84/581593784.db2.gz VPKGRMFGCHBLQG-ZDUSSCGKSA-N 2 2 269.389 0.342 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000729929494 581623662 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CC[N@@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000745794216 581640799 /nfs/dbraw/zinc/64/07/99/581640799.db2.gz XXGVJSQREAEHTL-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000745794216 581640801 /nfs/dbraw/zinc/64/08/01/581640801.db2.gz XXGVJSQREAEHTL-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH+]1CCC[C@@H]1CNC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000745794216 581640806 /nfs/dbraw/zinc/64/08/06/581640806.db2.gz XXGVJSQREAEHTL-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP Cc1cc(NNC(=S)NCCC[NH+](C)C)nc(C)[nH+]1 ZINC000735988894 581680542 /nfs/dbraw/zinc/68/05/42/581680542.db2.gz CTBLSYSECQSLNZ-UHFFFAOYSA-N 2 2 282.417 0.836 20 0 CCADLP CC[NH+]1CCC([N@H+](C)CC(=O)N2CCO[C@@H](C)C2)CC1 ZINC000740874326 581720847 /nfs/dbraw/zinc/72/08/47/581720847.db2.gz ASVPAXKTAWVUSH-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+]1CCC([N@@H+](C)CC(=O)N2CCO[C@@H](C)C2)CC1 ZINC000740874326 581720849 /nfs/dbraw/zinc/72/08/49/581720849.db2.gz 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Fc1c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cccc1-c1nn[nH]n1 ZINC000826370341 608386674 /nfs/dbraw/zinc/38/66/74/608386674.db2.gz NZEPZPVMGIHCMJ-PHIMTYICSA-N 2 2 288.330 0.657 20 0 CCADLP CC(C)[C@@H](CNC(=[NH2+])NCC1CC1)[NH+]1CCOCC1 ZINC000887347417 614095302 /nfs/dbraw/zinc/09/53/02/614095302.db2.gz UTFJGYRSVLEMSL-CYBMUJFWSA-N 2 2 268.405 0.867 20 0 CCADLP CC(C)C[C@@H](C[NH+](C)C)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865012391 614187396 /nfs/dbraw/zinc/18/73/96/614187396.db2.gz GACQOERYRMXSMJ-NFAHFFEMSA-N 2 2 297.443 0.967 20 0 CCADLP CC(C)[C@H](O)CC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000878286046 614258034 /nfs/dbraw/zinc/25/80/34/614258034.db2.gz JMRZEEKVIBUBBO-CYBMUJFWSA-N 2 2 266.389 0.949 20 0 CCADLP C[C@@H](C(=O)N1C2CCC1(C[NH3+])CC2)[NH+]1CCN(C)CC1 ZINC000877187495 617301289 /nfs/dbraw/zinc/30/12/89/617301289.db2.gz UMLWGVQEXLPETF-OPFPJEHXSA-N 2 2 280.416 0.105 20 0 CCADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000877433980 613209705 /nfs/dbraw/zinc/20/97/05/613209705.db2.gz LBSSTXHCMJMUNB-ZPFWKANASA-N 2 2 295.427 0.625 20 0 CCADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000877433980 613209708 /nfs/dbraw/zinc/20/97/08/613209708.db2.gz LBSSTXHCMJMUNB-ZPFWKANASA-N 2 2 295.427 0.625 20 0 CCADLP C1CC2(C1)[C@H]([NH2+][C@@H]1C[NH2+]CCOC1)[C@@H]1CCO[C@@H]12 ZINC000925630480 613222548 /nfs/dbraw/zinc/22/25/48/613222548.db2.gz OZRWLVHCGBROLY-XQHKEYJVSA-N 2 2 252.358 0.522 20 0 CCADLP C([C@@H]1C[C@@H]2COC[C@H]2O1)[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903872254 613226972 /nfs/dbraw/zinc/22/69/72/613226972.db2.gz XRSGLFXZESTJHE-XJFOESAGSA-N 2 2 252.358 0.618 20 0 CCADLP C([C@@H]1C[C@@H]2COC[C@H]2O1)[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903872254 613226975 /nfs/dbraw/zinc/22/69/75/613226975.db2.gz XRSGLFXZESTJHE-XJFOESAGSA-N 2 2 252.358 0.618 20 0 CCADLP C(C[N@@H+]1CCNCC[NH2+]CC1)C1SCCS1 ZINC000923461287 613227432 /nfs/dbraw/zinc/22/74/32/613227432.db2.gz VLXYBCPFLXRNSV-UHFFFAOYSA-N 2 2 261.460 0.677 20 0 CCADLP C(C[N@H+]1CCNCC[NH2+]CC1)C1SCCS1 ZINC000923461287 613227434 /nfs/dbraw/zinc/22/74/34/613227434.db2.gz VLXYBCPFLXRNSV-UHFFFAOYSA-N 2 2 261.460 0.677 20 0 CCADLP C1CC1[C@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)[C@H]1C[NH2+]CCO1 ZINC000902452826 613229465 /nfs/dbraw/zinc/22/94/65/613229465.db2.gz MIYLSDKTSMSUEJ-UQAQGZBZSA-N 2 2 264.369 0.519 20 0 CCADLP C/C(=C/C(=O)N1CCC[C@H]([NH+](C)C)C1)C[NH+]1CCOCC1 ZINC000900525899 613230319 /nfs/dbraw/zinc/23/03/19/613230319.db2.gz AMMOMUZBNQJZPI-SZGZABIGSA-N 2 2 295.427 0.818 20 0 CCADLP C/C(=C/C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C)C[NH+]1CCOCC1 ZINC000901309338 613231092 /nfs/dbraw/zinc/23/10/92/613231092.db2.gz VHSPXQBMKBIPTJ-ZDZFUCEFSA-N 2 2 295.427 0.816 20 0 CCADLP C/C(=C/C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C)C[NH+]1CCOCC1 ZINC000901309338 613231094 /nfs/dbraw/zinc/23/10/94/613231094.db2.gz VHSPXQBMKBIPTJ-ZDZFUCEFSA-N 2 2 295.427 0.816 20 0 CCADLP C/C(=C\C(=O)NC1(C[NH+](C)C)CCC1)C[NH+]1CCOCC1 ZINC000907962977 613255277 /nfs/dbraw/zinc/25/52/77/613255277.db2.gz DGWYCSSPYQGMHX-SDNWHVSQSA-N 2 2 295.427 0.865 20 0 CCADLP C/C(=C\C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000900834208 613258439 /nfs/dbraw/zinc/25/84/39/613258439.db2.gz ZEHUCFXSEJRUQR-XEZFYOOLSA-N 2 2 295.427 0.864 20 0 CCADLP C/C(=C\C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000900834208 613258442 /nfs/dbraw/zinc/25/84/42/613258442.db2.gz ZEHUCFXSEJRUQR-XEZFYOOLSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000869225651 613933241 /nfs/dbraw/zinc/93/32/41/613933241.db2.gz MSLVKWDVPIZYCY-ZRUQZJFASA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000869225651 613933242 /nfs/dbraw/zinc/93/32/42/613933242.db2.gz MSLVKWDVPIZYCY-ZRUQZJFASA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@](C)(O)C(F)F)CC1 ZINC000886226668 613939338 /nfs/dbraw/zinc/93/93/38/613939338.db2.gz PSGUABFRLCUOTO-GFCCVEGCSA-N 2 2 280.359 0.827 20 0 CCADLP CC(C)[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC000979311933 613964742 /nfs/dbraw/zinc/96/47/42/613964742.db2.gz STHXDUKQBKELHS-JSGCOSHPSA-N 2 2 294.399 0.956 20 0 CCADLP CC(C)[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC000979311933 613964743 /nfs/dbraw/zinc/96/47/43/613964743.db2.gz STHXDUKQBKELHS-JSGCOSHPSA-N 2 2 294.399 0.956 20 0 CCADLP CC(C)[NH2+][C@H](C)[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC000979311940 613977806 /nfs/dbraw/zinc/97/78/06/613977806.db2.gz STHXDUKQBKELHS-OCCSQVGLSA-N 2 2 294.399 0.956 20 0 CCADLP CC(C)[NH2+][C@H](C)[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC000979311940 613977809 /nfs/dbraw/zinc/97/78/09/613977809.db2.gz STHXDUKQBKELHS-OCCSQVGLSA-N 2 2 294.399 0.956 20 0 CCADLP CC(C)[NH2+][C@H](C)[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CCO1 ZINC000979276039 613977973 /nfs/dbraw/zinc/97/79/73/613977973.db2.gz IKWJNPHSVDXRHP-OLZOCXBDSA-N 2 2 294.399 0.956 20 0 CCADLP CC(C)(C[NH3+])C1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000903791166 614087647 /nfs/dbraw/zinc/08/76/47/614087647.db2.gz POMXFCVVHYNFKD-ZDUSSCGKSA-N 3 2 255.406 0.672 20 0 CCADLP CC(C)[C@@H](C)NC(=O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519449 614090512 /nfs/dbraw/zinc/09/05/12/614090512.db2.gz DDERHCCVORFMOX-FRRDWIJNSA-N 2 2 253.390 0.688 20 0 CCADLP CC(C)[C@@H](C)NC(=O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519449 614090514 /nfs/dbraw/zinc/09/05/14/614090514.db2.gz DDERHCCVORFMOX-FRRDWIJNSA-N 2 2 253.390 0.688 20 0 CCADLP CC(C)(CNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000876710430 614104804 /nfs/dbraw/zinc/10/48/04/614104804.db2.gz KKGQZALPAXLBKY-RYUDHWBXSA-N 2 2 287.379 0.161 20 0 CCADLP CC(C)[C@@H]1COCC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000926747962 614164675 /nfs/dbraw/zinc/16/46/75/614164675.db2.gz CVIGISCCOTVETK-KKUMJFAQSA-N 2 2 297.443 0.977 20 0 CCADLP CC(C)[C@@H]1COCC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000926747962 614164676 /nfs/dbraw/zinc/16/46/76/614164676.db2.gz CVIGISCCOTVETK-KKUMJFAQSA-N 2 2 297.443 0.977 20 0 CCADLP CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](C)[C@H](C)C[NH3+])cc1 ZINC000923292044 614203344 /nfs/dbraw/zinc/20/33/44/614203344.db2.gz WOLRNVJWGFLWJB-BXUZGUMPSA-N 2 2 295.383 0.664 20 0 CCADLP CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](C)[C@H](C)C[NH3+])cc1 ZINC000923292044 614203345 /nfs/dbraw/zinc/20/33/45/614203345.db2.gz WOLRNVJWGFLWJB-BXUZGUMPSA-N 2 2 295.383 0.664 20 0 CCADLP CC(C)[C@H](CNC(=[NH2+])N[C@H]1C[C@@H]1C)[NH+]1CCOCC1 ZINC000864449941 614208191 /nfs/dbraw/zinc/20/81/91/614208191.db2.gz CKGVWLXZADODKD-AVGNSLFASA-N 2 2 268.405 0.866 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000911825546 614227890 /nfs/dbraw/zinc/22/78/90/614227890.db2.gz ISCSMXPKHUEBNU-CMPLNLGQSA-N 2 2 250.346 0.545 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CC(=O)N(C)C[C@H]2C)CC1 ZINC000800379022 614361970 /nfs/dbraw/zinc/36/19/70/614361970.db2.gz KNLYLAYCEWDIPO-OAHLLOKOSA-N 2 2 296.459 0.565 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@H+]2CC(=O)N(C)C[C@H]2C)CC1 ZINC000800379022 614361971 /nfs/dbraw/zinc/36/19/71/614361971.db2.gz KNLYLAYCEWDIPO-OAHLLOKOSA-N 2 2 296.459 0.565 20 0 CCADLP CC(C)[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000972699960 614366528 /nfs/dbraw/zinc/36/65/28/614366528.db2.gz QBCVLAOCSNKJLE-OAHLLOKOSA-N 2 2 292.383 0.595 20 0 CCADLP CC(C)[N@H+]1CCO[C@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000972699960 614366531 /nfs/dbraw/zinc/36/65/31/614366531.db2.gz QBCVLAOCSNKJLE-OAHLLOKOSA-N 2 2 292.383 0.595 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000868809192 614371903 /nfs/dbraw/zinc/37/19/03/614371903.db2.gz GXJKLNZUBXWJCU-PWSUYJOCSA-N 2 2 266.345 0.384 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000868809192 614371904 /nfs/dbraw/zinc/37/19/04/614371904.db2.gz GXJKLNZUBXWJCU-PWSUYJOCSA-N 2 2 266.345 0.384 20 0 CCADLP CCN(C(=O)Cc1c[nH+]c[nH]1)C1CC[NH+](C)CC1 ZINC000908917631 614596481 /nfs/dbraw/zinc/59/64/81/614596481.db2.gz YJGJQHGJOGBUAK-UHFFFAOYSA-N 2 2 250.346 0.895 20 0 CCADLP CC1(C)C[N@H+](CCCO)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000977648528 614640250 /nfs/dbraw/zinc/64/02/50/614640250.db2.gz QZBKFVABNLUYPK-LBPRGKRZSA-N 2 2 280.372 0.092 20 0 CCADLP CC1(C)C[N@@H+](CCCO)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000977648528 614640253 /nfs/dbraw/zinc/64/02/53/614640253.db2.gz QZBKFVABNLUYPK-LBPRGKRZSA-N 2 2 280.372 0.092 20 0 CCADLP CCC1([NH+](C)C)CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000870574943 614700041 /nfs/dbraw/zinc/70/00/41/614700041.db2.gz PLZQLQCYDMYAAB-GFCCVEGCSA-N 2 2 280.372 0.776 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000869286010 614744857 /nfs/dbraw/zinc/74/48/57/614744857.db2.gz YLZLXBAVDZORIN-XGACYXMMSA-N 2 2 281.400 0.475 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000869286010 614744860 /nfs/dbraw/zinc/74/48/60/614744860.db2.gz YLZLXBAVDZORIN-XGACYXMMSA-N 2 2 281.400 0.475 20 0 CCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000925690009 614808012 /nfs/dbraw/zinc/80/80/12/614808012.db2.gz JGHXXPCMORGVQT-FRRDWIJNSA-N 2 2 253.390 0.580 20 0 CCADLP CC1(C)OCC([NH2+]C[C@@H](O)C[NH+]2CCCC2)CO1 ZINC000863555747 614815423 /nfs/dbraw/zinc/81/54/23/614815423.db2.gz WHDMKZHUDDMKDO-GFCCVEGCSA-N 2 2 258.362 0.184 20 0 CCADLP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000876753753 614847185 /nfs/dbraw/zinc/84/71/85/614847185.db2.gz NVSKVXTVXYCZOZ-NEPJUHHUSA-N 2 2 283.416 0.587 20 0 CCADLP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000876753753 614847186 /nfs/dbraw/zinc/84/71/86/614847186.db2.gz NVSKVXTVXYCZOZ-NEPJUHHUSA-N 2 2 283.416 0.587 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000884363396 614849388 /nfs/dbraw/zinc/84/93/88/614849388.db2.gz BVELBSWLANQZAC-LXYZTQFVSA-N 2 2 267.373 0.117 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2ncccn2)C1 ZINC000886688734 614850713 /nfs/dbraw/zinc/85/07/13/614850713.db2.gz ZDROKRFHHNSCIG-UONOGXRCSA-N 2 2 278.400 0.969 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2ncccn2)C1 ZINC000886688734 614850718 /nfs/dbraw/zinc/85/07/18/614850718.db2.gz ZDROKRFHHNSCIG-UONOGXRCSA-N 2 2 278.400 0.969 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886688734 614850720 /nfs/dbraw/zinc/85/07/20/614850720.db2.gz ZDROKRFHHNSCIG-UONOGXRCSA-N 2 2 278.400 0.969 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886688734 614850724 /nfs/dbraw/zinc/85/07/24/614850724.db2.gz ZDROKRFHHNSCIG-UONOGXRCSA-N 2 2 278.400 0.969 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886867599 614862946 /nfs/dbraw/zinc/86/29/46/614862946.db2.gz JDQSVUSUCWTUMZ-HNNXBMFYSA-N 2 2 296.415 0.688 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886867599 614862948 /nfs/dbraw/zinc/86/29/48/614862948.db2.gz JDQSVUSUCWTUMZ-HNNXBMFYSA-N 2 2 296.415 0.688 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1CNC(=O)NC ZINC000879338575 614866456 /nfs/dbraw/zinc/86/64/56/614866456.db2.gz WSDXALRHXDMFKD-STQMWFEESA-N 2 2 286.420 0.083 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1CNC(=O)NC ZINC000879338575 614866457 /nfs/dbraw/zinc/86/64/57/614866457.db2.gz WSDXALRHXDMFKD-STQMWFEESA-N 2 2 286.420 0.083 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1CNC(=O)NC ZINC000879338575 614866458 /nfs/dbraw/zinc/86/64/58/614866458.db2.gz WSDXALRHXDMFKD-STQMWFEESA-N 2 2 286.420 0.083 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1CNC(=O)NC ZINC000879338575 614866459 /nfs/dbraw/zinc/86/64/59/614866459.db2.gz WSDXALRHXDMFKD-STQMWFEESA-N 2 2 286.420 0.083 20 0 CCADLP CC1(CNC(=O)/C=C/C[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000876798970 614894489 /nfs/dbraw/zinc/89/44/89/614894489.db2.gz UNYOQXYZFSJPBN-NSCUHMNNSA-N 2 2 281.400 0.381 20 0 CCADLP CC[N@H+](C)[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000980270650 614907718 /nfs/dbraw/zinc/90/77/18/614907718.db2.gz QVSHQXJBRLFVHF-NSHDSACASA-N 2 2 250.346 0.813 20 0 CCADLP CC[N@@H+](C)[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000980270650 614907722 /nfs/dbraw/zinc/90/77/22/614907722.db2.gz QVSHQXJBRLFVHF-NSHDSACASA-N 2 2 250.346 0.813 20 0 CCADLP CC1([NH+]2CCC2)CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000880472645 614912432 /nfs/dbraw/zinc/91/24/32/614912432.db2.gz WRFHDTAPUFMEQT-UHFFFAOYSA-N 2 2 280.372 0.098 20 0 CCADLP CCC[C@@]1(C)C(=O)NCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903456304 615030983 /nfs/dbraw/zinc/03/09/83/615030983.db2.gz GJMYXKQVPDQJNJ-DYEKYZERSA-N 2 2 253.390 0.833 20 0 CCADLP CCC[C@@]1(C)C(=O)NCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903456304 615030985 /nfs/dbraw/zinc/03/09/85/615030985.db2.gz GJMYXKQVPDQJNJ-DYEKYZERSA-N 2 2 253.390 0.833 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886867823 615058651 /nfs/dbraw/zinc/05/86/51/615058651.db2.gz OXWPTWLWIAIELL-IUODEOHRSA-N 2 2 296.415 0.686 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886867823 615058653 /nfs/dbraw/zinc/05/86/53/615058653.db2.gz OXWPTWLWIAIELL-IUODEOHRSA-N 2 2 296.415 0.686 20 0 CCADLP CCN(OC)C(=O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000843430752 615075783 /nfs/dbraw/zinc/07/57/83/615075783.db2.gz PDOIFEUNULQWNM-UHFFFAOYSA-N 2 2 269.389 0.860 20 0 CCADLP CCN(C(=O)[C@H]1C[N@@H+](C(C)C)CCO1)C1C[NH+](CC)C1 ZINC000951365201 615082436 /nfs/dbraw/zinc/08/24/36/615082436.db2.gz IYZILKICIWRVAV-CQSZACIVSA-N 2 2 283.416 0.648 20 0 CCADLP CCN(C(=O)[C@H]1C[N@H+](C(C)C)CCO1)C1C[NH+](CC)C1 ZINC000951365201 615082437 /nfs/dbraw/zinc/08/24/37/615082437.db2.gz IYZILKICIWRVAV-CQSZACIVSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CCO1 ZINC000979371820 615109769 /nfs/dbraw/zinc/10/97/69/615109769.db2.gz LQISRITWNVHRIJ-STQMWFEESA-N 2 2 294.399 0.578 20 0 CCADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000841066339 615129398 /nfs/dbraw/zinc/12/93/98/615129398.db2.gz SHMZZTUBLLCCQG-LLVKDONJSA-N 2 2 265.357 0.638 20 0 CCADLP CC[NH+]1CCN(C(=O)/C=C(\C)C[NH+]2CCOCC2)CC1 ZINC000899907893 615147856 /nfs/dbraw/zinc/14/78/56/615147856.db2.gz PJHFIXLISGXDGO-WYMLVPIESA-N 2 2 281.400 0.429 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(C(C)=O)CC2)CC1 ZINC000846952883 615150932 /nfs/dbraw/zinc/15/09/32/615150932.db2.gz ISMANQOAJQSZCQ-CYBMUJFWSA-N 2 2 295.427 0.840 20 0 CCADLP CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000972464758 615191212 /nfs/dbraw/zinc/19/12/12/615191212.db2.gz DWFCEFJXXORQKN-OAHLLOKOSA-N 2 2 292.383 0.515 20 0 CCADLP CC[N@H+]1CCO[C@]2(CCN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC000972464758 615191215 /nfs/dbraw/zinc/19/12/15/615191215.db2.gz DWFCEFJXXORQKN-OAHLLOKOSA-N 2 2 292.383 0.515 20 0 CCADLP CCOC(=O)C[C@@H](O)C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933735296 615206757 /nfs/dbraw/zinc/20/67/57/615206757.db2.gz VARLAGHEEMIMKY-OUCADQQQSA-N 2 2 270.373 0.184 20 0 CCADLP CCOC(=O)C[C@@H](O)C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933735296 615206762 /nfs/dbraw/zinc/20/67/62/615206762.db2.gz VARLAGHEEMIMKY-OUCADQQQSA-N 2 2 270.373 0.184 20 0 CCADLP CCOC(=O)C[C@@H](O)C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933735296 615206764 /nfs/dbraw/zinc/20/67/64/615206764.db2.gz VARLAGHEEMIMKY-OUCADQQQSA-N 2 2 270.373 0.184 20 0 CCADLP CCOC(=O)C[C@@H](O)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933735296 615206767 /nfs/dbraw/zinc/20/67/67/615206767.db2.gz VARLAGHEEMIMKY-OUCADQQQSA-N 2 2 270.373 0.184 20 0 CCADLP CCOC[C@H](O)C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931510930 615317906 /nfs/dbraw/zinc/31/79/06/615317906.db2.gz IIWMZQKCTUWARS-SNVBAGLBSA-N 2 2 251.330 0.419 20 0 CCADLP CCOC[C@H](O)C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931510930 615317911 /nfs/dbraw/zinc/31/79/11/615317911.db2.gz IIWMZQKCTUWARS-SNVBAGLBSA-N 2 2 251.330 0.419 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873234020 615326235 /nfs/dbraw/zinc/32/62/35/615326235.db2.gz BFVHMBRJYRUBMC-FRRDWIJNSA-N 2 2 283.416 0.648 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@@H]1CCCC[NH2+]1 ZINC000817948615 615326397 /nfs/dbraw/zinc/32/63/97/615326397.db2.gz BYXSMCCXOQSHCX-SDDRHHMPSA-N 2 2 255.362 0.012 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000863541043 615328205 /nfs/dbraw/zinc/32/82/05/615328205.db2.gz GIHRRYLKPUYJTB-GRYCIOLGSA-N 2 2 267.373 0.154 20 0 CCADLP CCN1C[C@H](C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)OC1=O ZINC000846918468 615404931 /nfs/dbraw/zinc/40/49/31/615404931.db2.gz KDYAOLLCAQYDRI-JSGCOSHPSA-N 2 2 267.373 0.855 20 0 CCADLP CCN1C[C@H](C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)OC1=O ZINC000846918468 615404933 /nfs/dbraw/zinc/40/49/33/615404933.db2.gz KDYAOLLCAQYDRI-JSGCOSHPSA-N 2 2 267.373 0.855 20 0 CCADLP CCN1C[C@H](C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)OC1=O ZINC000846918468 615404935 /nfs/dbraw/zinc/40/49/35/615404935.db2.gz KDYAOLLCAQYDRI-JSGCOSHPSA-N 2 2 267.373 0.855 20 0 CCADLP CCN1C[C@H](C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)OC1=O ZINC000846918468 615404937 /nfs/dbraw/zinc/40/49/37/615404937.db2.gz KDYAOLLCAQYDRI-JSGCOSHPSA-N 2 2 267.373 0.855 20 0 CCADLP CCO[C@H](CNC(=O)N[C@H](C)Cn1cc[nH+]c1)C[NH+](C)C ZINC000914196267 615482391 /nfs/dbraw/zinc/48/23/91/615482391.db2.gz MLFDVBWZBTZBDT-CHWSQXEVSA-N 2 2 297.403 0.538 20 0 CCADLP CCO[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)C[NH+](C)C ZINC000925842086 615484352 /nfs/dbraw/zinc/48/43/52/615484352.db2.gz VYOVBYHMCHWBOO-MGPQQGTHSA-N 3 2 257.422 0.931 20 0 CCADLP CC[C@@H]1C(=O)NCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903728719 615551049 /nfs/dbraw/zinc/55/10/49/615551049.db2.gz FJLQEZXAEFOUGQ-CHWSQXEVSA-N 2 2 281.400 0.356 20 0 CCADLP CC[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903728719 615551050 /nfs/dbraw/zinc/55/10/50/615551050.db2.gz FJLQEZXAEFOUGQ-CHWSQXEVSA-N 2 2 281.400 0.356 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C[C@H](C)[NH2+]1 ZINC000869312242 615559726 /nfs/dbraw/zinc/55/97/26/615559726.db2.gz QFYQZZDLFACHKA-NGZCFLSTSA-N 2 2 252.318 0.042 20 0 CCADLP CC[C@H](C(=O)N1CC[C@@H]([NH3+])C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911652410 615565040 /nfs/dbraw/zinc/56/50/40/615565040.db2.gz RBMLLBLAEFDAMV-JHJVBQTASA-N 2 2 269.389 0.435 20 0 CCADLP CC[C@H](C(=O)N1CC[C@@H]([NH3+])C1)[N@H+]1CCO[C@H](CC)C1 ZINC000911652410 615565041 /nfs/dbraw/zinc/56/50/41/615565041.db2.gz RBMLLBLAEFDAMV-JHJVBQTASA-N 2 2 269.389 0.435 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000877433734 615568963 /nfs/dbraw/zinc/56/89/63/615568963.db2.gz HYPSRLWYJRGSIM-VXGBXAGGSA-N 2 2 269.389 0.211 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000877433734 615568964 /nfs/dbraw/zinc/56/89/64/615568964.db2.gz HYPSRLWYJRGSIM-VXGBXAGGSA-N 2 2 269.389 0.211 20 0 CCADLP CC[C@@](C)(O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000931216494 615591073 /nfs/dbraw/zinc/59/10/73/615591073.db2.gz HXUKLZWIVGMSEX-MRXNPFEDSA-N 2 2 297.443 0.822 20 0 CCADLP CCc1c[nH]c2nc[nH+]c(NC[C@@]3(O)CC[N@H+](C)C3)c12 ZINC000893186755 615609886 /nfs/dbraw/zinc/60/98/86/615609886.db2.gz CWOLURLYQFBUND-AWEZNQCLSA-N 2 2 275.356 0.999 20 0 CCADLP CCc1c[nH]c2nc[nH+]c(NC[C@@]3(O)CC[N@@H+](C)C3)c12 ZINC000893186755 615609887 /nfs/dbraw/zinc/60/98/87/615609887.db2.gz CWOLURLYQFBUND-AWEZNQCLSA-N 2 2 275.356 0.999 20 0 CCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[N@H+](C)C[C@@H]1CO ZINC000912735693 615778823 /nfs/dbraw/zinc/77/88/23/615778823.db2.gz DITXHQKMFZTTKM-CHWSQXEVSA-N 2 2 294.399 0.532 20 0 CCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[N@@H+](C)C[C@@H]1CO ZINC000912735693 615778826 /nfs/dbraw/zinc/77/88/26/615778826.db2.gz DITXHQKMFZTTKM-CHWSQXEVSA-N 2 2 294.399 0.532 20 0 CCADLP CCc1nnc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)s1 ZINC000925901076 615816562 /nfs/dbraw/zinc/81/65/62/615816562.db2.gz YJJRVLFMXNKEKV-UHFFFAOYSA-N 2 2 298.416 0.645 20 0 CCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CCC[N@H+](CCO)CC1 ZINC000948812118 615827326 /nfs/dbraw/zinc/82/73/26/615827326.db2.gz GWYMOXNXBDGOOO-ZDUSSCGKSA-N 2 2 280.372 0.257 20 0 CCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CCC[N@@H+](CCO)CC1 ZINC000948812118 615827327 /nfs/dbraw/zinc/82/73/27/615827327.db2.gz GWYMOXNXBDGOOO-ZDUSSCGKSA-N 2 2 280.372 0.257 20 0 CCADLP C[NH+](C)C1(C)CCC([NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925731385 615845123 /nfs/dbraw/zinc/84/51/23/615845123.db2.gz BIGBNBNKOUAPLX-ROKHWSDSSA-N 3 2 255.406 0.827 20 0 CCADLP Cn1cnc(/C=C/C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000824958002 615878341 /nfs/dbraw/zinc/87/83/41/615878341.db2.gz QJBUMFPKPJCCLN-VOTSOKGWSA-N 2 2 293.415 0.433 20 0 CCADLP Cn1cnc(/C=C/C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000824958002 615878342 /nfs/dbraw/zinc/87/83/42/615878342.db2.gz QJBUMFPKPJCCLN-VOTSOKGWSA-N 2 2 293.415 0.433 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1=COCC1 ZINC000855416359 615878876 /nfs/dbraw/zinc/87/88/76/615878876.db2.gz MLHBHWORBKLISR-UHFFFAOYSA-N 2 2 255.362 0.290 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1=COCC1 ZINC000855416359 615878880 /nfs/dbraw/zinc/87/88/80/615878880.db2.gz MLHBHWORBKLISR-UHFFFAOYSA-N 2 2 255.362 0.290 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(F)(F)F ZINC000849429196 615878929 /nfs/dbraw/zinc/87/89/29/615878929.db2.gz KVMWONDXYZRFPX-UHFFFAOYSA-N 2 2 255.284 0.548 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(F)(F)F ZINC000849429196 615878932 /nfs/dbraw/zinc/87/89/32/615878932.db2.gz KVMWONDXYZRFPX-UHFFFAOYSA-N 2 2 255.284 0.548 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1c[nH]nc1C1CC1 ZINC000855415161 615879211 /nfs/dbraw/zinc/87/92/11/615879211.db2.gz RXTIIJVUVLSMQJ-UHFFFAOYSA-N 2 2 293.415 0.900 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1c[nH]nc1C1CC1 ZINC000855415161 615879212 /nfs/dbraw/zinc/87/92/12/615879212.db2.gz RXTIIJVUVLSMQJ-UHFFFAOYSA-N 2 2 293.415 0.900 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=S)NC1CCC1 ZINC000849280664 615880202 /nfs/dbraw/zinc/88/02/02/615880202.db2.gz ZNERHRTXJYEJJY-UHFFFAOYSA-N 2 2 272.462 0.887 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=S)NC1CCC1 ZINC000849280664 615880204 /nfs/dbraw/zinc/88/02/04/615880204.db2.gz ZNERHRTXJYEJJY-UHFFFAOYSA-N 2 2 272.462 0.887 20 0 CCADLP C[NH+](C)CCC[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC000821584950 615883588 /nfs/dbraw/zinc/88/35/88/615883588.db2.gz YZMWSGIBKSNVQP-UHFFFAOYSA-N 2 2 266.374 0.970 20 0 CCADLP C[NH+](C)CCN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)C1CCCC1 ZINC000865788717 615889346 /nfs/dbraw/zinc/88/93/46/615889346.db2.gz XXIUIVGYRPAISL-ZDUSSCGKSA-N 2 2 280.372 0.776 20 0 CCADLP CCc1onc(C)c1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000895573014 615891938 /nfs/dbraw/zinc/89/19/38/615891938.db2.gz XXJKDPFTDZAYCM-ZDUSSCGKSA-N 2 2 294.399 0.975 20 0 CCADLP CCc1onc(C)c1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000895573014 615891941 /nfs/dbraw/zinc/89/19/41/615891941.db2.gz XXJKDPFTDZAYCM-ZDUSSCGKSA-N 2 2 294.399 0.975 20 0 CCADLP CN(CCC[N@H+](C)[C@@H]1CCOC1=O)CC[NH+](C)C ZINC000808781276 615893282 /nfs/dbraw/zinc/89/32/82/615893282.db2.gz CZNCICXGCIMVAE-GFCCVEGCSA-N 2 2 257.378 0.117 20 0 CCADLP CN(CCC[N@@H+](C)[C@@H]1CCOC1=O)CC[NH+](C)C ZINC000808781276 615893283 /nfs/dbraw/zinc/89/32/83/615893283.db2.gz CZNCICXGCIMVAE-GFCCVEGCSA-N 2 2 257.378 0.117 20 0 CCADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Cc1[nH]cc[nH+]1 ZINC000826544641 615896045 /nfs/dbraw/zinc/89/60/45/615896045.db2.gz SYBFAPPVUKQEBL-GFCCVEGCSA-N 2 2 280.372 0.521 20 0 CCADLP C[NH+](C)CCN1CCC([NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925607311 615897558 /nfs/dbraw/zinc/89/75/58/615897558.db2.gz UWDVLVWWQFSYAI-OAHLLOKOSA-N 3 2 280.460 0.887 20 0 CCADLP Cn1ncc(C[NH+]2CCC(OCC[NH+](C)C)CC2)n1 ZINC000809946013 615904892 /nfs/dbraw/zinc/90/48/92/615904892.db2.gz KOPACUIOVBKBJS-UHFFFAOYSA-N 2 2 267.377 0.358 20 0 CCADLP C[NH+](C)C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000826048624 615926318 /nfs/dbraw/zinc/92/63/18/615926318.db2.gz JCJMJTMUGKSLNQ-NSHDSACASA-N 2 2 250.346 0.895 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cn2ccnc2s1 ZINC000893179362 615936099 /nfs/dbraw/zinc/93/60/99/615936099.db2.gz PTSHZUISTMHCOC-LBPRGKRZSA-N 2 2 268.386 0.798 20 0 CCADLP CN(C)C(=O)O[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000878662715 615994097 /nfs/dbraw/zinc/99/40/97/615994097.db2.gz CTCYTOPLHVCMAM-GFCCVEGCSA-N 2 2 266.345 0.735 20 0 CCADLP CN(C)C(=O)O[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000878662715 615994102 /nfs/dbraw/zinc/99/41/02/615994102.db2.gz CTCYTOPLHVCMAM-GFCCVEGCSA-N 2 2 266.345 0.735 20 0 CCADLP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]CCOC2)C1 ZINC000925500329 615998707 /nfs/dbraw/zinc/99/87/07/615998707.db2.gz YDBWNRJROBVXEO-FRRDWIJNSA-N 2 2 269.389 0.211 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)n1C ZINC000896334511 616035920 /nfs/dbraw/zinc/03/59/20/616035920.db2.gz ORLGRFPCUPBAJE-LBPRGKRZSA-N 2 2 293.415 0.975 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)n1C ZINC000896334511 616035921 /nfs/dbraw/zinc/03/59/21/616035921.db2.gz ORLGRFPCUPBAJE-LBPRGKRZSA-N 2 2 293.415 0.975 20 0 CCADLP CN(C)c1nccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)n1 ZINC000925632601 616036779 /nfs/dbraw/zinc/03/67/79/616036779.db2.gz BHMXCGRDBAMBKM-VXGBXAGGSA-N 2 2 261.373 0.902 20 0 CCADLP C[N@@H+](C[C@@H]1CCOC1)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972424817 616144554 /nfs/dbraw/zinc/14/45/54/616144554.db2.gz CPINVKARXCJXQF-GXTWGEPZSA-N 2 2 292.383 0.521 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1COC2(CCCC2)O1)C1CC1 ZINC000819206188 616149828 /nfs/dbraw/zinc/14/98/28/616149828.db2.gz WSOYAJHAKBLBMO-KGLIPLIRSA-N 2 2 284.400 0.717 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1COC2(CCCC2)O1)C1CC1 ZINC000819206188 616149829 /nfs/dbraw/zinc/14/98/29/616149829.db2.gz WSOYAJHAKBLBMO-KGLIPLIRSA-N 2 2 284.400 0.717 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]C[C@H](O)c1ccc(F)cc1)C1CC1 ZINC000843108312 616149885 /nfs/dbraw/zinc/14/98/85/616149885.db2.gz OASCQGNZVHFJLL-CABCVRRESA-N 2 2 282.359 0.904 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@H](O)c1ccc(F)cc1)C1CC1 ZINC000843108312 616149887 /nfs/dbraw/zinc/14/98/87/616149887.db2.gz OASCQGNZVHFJLL-CABCVRRESA-N 2 2 282.359 0.904 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]C[C@]12OCCC[C@H]1C2(F)F)C1CC1 ZINC000849330021 616149932 /nfs/dbraw/zinc/14/99/32/616149932.db2.gz HBOQVFZPEISFDC-UPJWGTAASA-N 2 2 290.354 0.845 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@]12OCCC[C@H]1C2(F)F)C1CC1 ZINC000849330021 616149933 /nfs/dbraw/zinc/14/99/33/616149933.db2.gz HBOQVFZPEISFDC-UPJWGTAASA-N 2 2 290.354 0.845 20 0 CCADLP C[NH+]1CCC(N(CCO)C(=O)CNc2cccc[nH+]2)CC1 ZINC000911946735 616171375 /nfs/dbraw/zinc/17/13/75/616171375.db2.gz QIWGPWBTOYVQRO-UHFFFAOYSA-N 2 2 292.383 0.409 20 0 CCADLP C[NH+]1CCC([N@H+](CCO)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903874353 616171621 /nfs/dbraw/zinc/17/16/21/616171621.db2.gz YNGNKMSGCGBRQD-GOOCMWNKSA-N 3 2 281.444 0.906 20 0 CCADLP C[NH+]1CCC([N@@H+](CCO)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903874353 616171623 /nfs/dbraw/zinc/17/16/23/616171623.db2.gz YNGNKMSGCGBRQD-GOOCMWNKSA-N 3 2 281.444 0.906 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)OC3COC3)C2)CC1 ZINC000902860662 616172085 /nfs/dbraw/zinc/17/20/85/616172085.db2.gz BLPYHCHNVVPGMA-LLVKDONJSA-N 2 2 283.372 0.280 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)OC3COC3)C2)CC1 ZINC000902860662 616172087 /nfs/dbraw/zinc/17/20/87/616172087.db2.gz BLPYHCHNVVPGMA-LLVKDONJSA-N 2 2 283.372 0.280 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H](O)C3CC3)C2)CC1 ZINC000827414519 616172464 /nfs/dbraw/zinc/17/24/64/616172464.db2.gz WQOPGNSINFHXRC-OCCSQVGLSA-N 2 2 281.400 0.042 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H](O)C3CC3)C2)CC1 ZINC000827414519 616172465 /nfs/dbraw/zinc/17/24/65/616172465.db2.gz WQOPGNSINFHXRC-OCCSQVGLSA-N 2 2 281.400 0.042 20 0 CCADLP C[NH+]1CCC(OCC(=O)N[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000935924948 616175564 /nfs/dbraw/zinc/17/55/64/616175564.db2.gz PJLUKFMAWGIUDU-LBPRGKRZSA-N 2 2 292.383 0.425 20 0 CCADLP C[NH+]1CCC(ONC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000846647475 616176103 /nfs/dbraw/zinc/17/61/03/616176103.db2.gz LSALZBNKXUOMAU-NSHDSACASA-N 2 2 278.356 0.588 20 0 CCADLP C[NH+]1CCC2(CC1)CN(C(=O)Cc1[nH]cc[nH+]1)CCO2 ZINC000855010671 616176937 /nfs/dbraw/zinc/17/69/37/616176937.db2.gz YAUYYIUIJRNTNF-UHFFFAOYSA-N 2 2 278.356 0.275 20 0 CCADLP C[N@@H+]1CCCC12CCN(C(=O)[C@H](O)c1c[nH+]c[nH]1)CC2 ZINC000867194203 616177812 /nfs/dbraw/zinc/17/78/12/616177812.db2.gz OPSCVWQUQJJHMM-GFCCVEGCSA-N 2 2 278.356 0.530 20 0 CCADLP C[N@H+]1CCCC12CCN(C(=O)[C@H](O)c1c[nH+]c[nH]1)CC2 ZINC000867194203 616177813 /nfs/dbraw/zinc/17/78/13/616177813.db2.gz OPSCVWQUQJJHMM-GFCCVEGCSA-N 2 2 278.356 0.530 20 0 CCADLP C[N@@H+]1CCCC[C@@H](CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000897563795 616178658 /nfs/dbraw/zinc/17/86/58/616178658.db2.gz LLMAJXHCFHVYOK-QWHCGFSZSA-N 2 2 291.399 0.839 20 0 CCADLP C[N@H+]1CCCC[C@@H](CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000897563795 616178659 /nfs/dbraw/zinc/17/86/59/616178659.db2.gz LLMAJXHCFHVYOK-QWHCGFSZSA-N 2 2 291.399 0.839 20 0 CCADLP C[N@@H+]1CCCC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000913005986 616181782 /nfs/dbraw/zinc/18/17/82/616181782.db2.gz KIMQDYQAPCNGQI-LLVKDONJSA-N 2 2 250.346 0.800 20 0 CCADLP C[N@H+]1CCCC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000913005986 616181783 /nfs/dbraw/zinc/18/17/83/616181783.db2.gz KIMQDYQAPCNGQI-LLVKDONJSA-N 2 2 250.346 0.800 20 0 CCADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923326039 616184822 /nfs/dbraw/zinc/18/48/22/616184822.db2.gz XGBBCCYXRINNPP-XUXIUFHCSA-N 3 2 255.406 0.643 20 0 CCADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923326039 616184823 /nfs/dbraw/zinc/18/48/23/616184823.db2.gz XGBBCCYXRINNPP-XUXIUFHCSA-N 3 2 255.406 0.643 20 0 CCADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923326039 616184824 /nfs/dbraw/zinc/18/48/24/616184824.db2.gz XGBBCCYXRINNPP-XUXIUFHCSA-N 3 2 255.406 0.643 20 0 CCADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923326039 616184825 /nfs/dbraw/zinc/18/48/25/616184825.db2.gz XGBBCCYXRINNPP-XUXIUFHCSA-N 3 2 255.406 0.643 20 0 CCADLP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925609247 616186107 /nfs/dbraw/zinc/18/61/07/616186107.db2.gz RHCPEGBWSGPFGP-AWEZNQCLSA-N 3 2 268.449 0.744 20 0 CCADLP C[N@H+]1CCCN(CCC[NH2+][C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925609247 616186108 /nfs/dbraw/zinc/18/61/08/616186108.db2.gz RHCPEGBWSGPFGP-AWEZNQCLSA-N 3 2 268.449 0.744 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000928072713 616194817 /nfs/dbraw/zinc/19/48/17/616194817.db2.gz GWOMNCYJNJRVKE-XQQFMLRXSA-N 2 2 283.441 0.777 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000928072713 616194818 /nfs/dbraw/zinc/19/48/18/616194818.db2.gz GWOMNCYJNJRVKE-XQQFMLRXSA-N 2 2 283.441 0.777 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928072713 616194819 /nfs/dbraw/zinc/19/48/19/616194819.db2.gz GWOMNCYJNJRVKE-XQQFMLRXSA-N 2 2 283.441 0.777 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928072713 616194820 /nfs/dbraw/zinc/19/48/20/616194820.db2.gz GWOMNCYJNJRVKE-XQQFMLRXSA-N 2 2 283.441 0.777 20 0 CCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H](O)c3c[nH+]c[nH]3)CC[C@H]21 ZINC000866708832 616197700 /nfs/dbraw/zinc/19/77/00/616197700.db2.gz HOLSVBRIACUPLR-RTXFEEFZSA-N 2 2 278.356 0.386 20 0 CCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H](O)c3c[nH+]c[nH]3)CC[C@H]21 ZINC000866708832 616197701 /nfs/dbraw/zinc/19/77/01/616197701.db2.gz HOLSVBRIACUPLR-RTXFEEFZSA-N 2 2 278.356 0.386 20 0 CCADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnc(N)cn3)CC[C@H]21 ZINC000300068602 616198177 /nfs/dbraw/zinc/19/81/77/616198177.db2.gz PFYGLEOJDXRFFS-DGCLKSJQSA-N 2 2 261.373 0.975 20 0 CCADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnc(N)cn3)CC[C@H]21 ZINC000300068602 616198178 /nfs/dbraw/zinc/19/81/78/616198178.db2.gz PFYGLEOJDXRFFS-DGCLKSJQSA-N 2 2 261.373 0.975 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnc(N)cn3)CC[C@H]21 ZINC000300068602 616198179 /nfs/dbraw/zinc/19/81/79/616198179.db2.gz PFYGLEOJDXRFFS-DGCLKSJQSA-N 2 2 261.373 0.975 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnc(N)cn3)CC[C@H]21 ZINC000300068602 616198180 /nfs/dbraw/zinc/19/81/80/616198180.db2.gz PFYGLEOJDXRFFS-DGCLKSJQSA-N 2 2 261.373 0.975 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H](O)C1(O)CCCC1 ZINC000931622846 616199573 /nfs/dbraw/zinc/19/95/73/616199573.db2.gz SWIBZPQCRYRGFZ-MJBXVCDLSA-N 2 2 268.401 0.821 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H](O)C1(O)CCCC1 ZINC000931622846 616199574 /nfs/dbraw/zinc/19/95/74/616199574.db2.gz SWIBZPQCRYRGFZ-MJBXVCDLSA-N 2 2 268.401 0.821 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H](O)C1(O)CCCC1 ZINC000931622846 616199575 /nfs/dbraw/zinc/19/95/75/616199575.db2.gz SWIBZPQCRYRGFZ-MJBXVCDLSA-N 2 2 268.401 0.821 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@H](O)C1(O)CCCC1 ZINC000931622846 616199576 /nfs/dbraw/zinc/19/95/76/616199576.db2.gz SWIBZPQCRYRGFZ-MJBXVCDLSA-N 2 2 268.401 0.821 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@@H](O)COC1CCOCC1 ZINC000880135521 616200899 /nfs/dbraw/zinc/20/08/99/616200899.db2.gz WRFFOUSGNHTPPO-FVQBIDKESA-N 2 2 298.427 0.711 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@@H](O)COC1CCOCC1 ZINC000880135521 616200900 /nfs/dbraw/zinc/20/09/00/616200900.db2.gz WRFFOUSGNHTPPO-FVQBIDKESA-N 2 2 298.427 0.711 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H](O)COC1CCOCC1 ZINC000880135521 616200901 /nfs/dbraw/zinc/20/09/01/616200901.db2.gz WRFFOUSGNHTPPO-FVQBIDKESA-N 2 2 298.427 0.711 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@@H](O)COC1CCOCC1 ZINC000880135521 616200902 /nfs/dbraw/zinc/20/09/02/616200902.db2.gz WRFFOUSGNHTPPO-FVQBIDKESA-N 2 2 298.427 0.711 20 0 CCADLP C[N@@H+]1CCC[C@@](O)(CC(=O)NCCCCn2cc[nH+]c2)C1 ZINC000900695133 616201886 /nfs/dbraw/zinc/20/18/86/616201886.db2.gz LWDODLWUMSGDCB-OAHLLOKOSA-N 2 2 294.399 0.626 20 0 CCADLP C[N@H+]1CCC[C@@](O)(CC(=O)NCCCCn2cc[nH+]c2)C1 ZINC000900695133 616201887 /nfs/dbraw/zinc/20/18/87/616201887.db2.gz LWDODLWUMSGDCB-OAHLLOKOSA-N 2 2 294.399 0.626 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898901832 616210759 /nfs/dbraw/zinc/21/07/59/616210759.db2.gz NGIOIAUJYKLFAW-NSHDSACASA-N 2 2 250.346 0.829 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000898901832 616210760 /nfs/dbraw/zinc/21/07/60/616210760.db2.gz NGIOIAUJYKLFAW-NSHDSACASA-N 2 2 250.346 0.829 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCC[C@@H]1CS(N)(=O)=O ZINC000931229042 616213257 /nfs/dbraw/zinc/21/32/57/616213257.db2.gz JEESATIGAPTFBI-QWHCGFSZSA-N 2 2 289.445 0.614 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC[C@@H]1CS(N)(=O)=O ZINC000931229042 616213258 /nfs/dbraw/zinc/21/32/58/616213258.db2.gz JEESATIGAPTFBI-QWHCGFSZSA-N 2 2 289.445 0.614 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC[C@@H]1CS(N)(=O)=O ZINC000931229042 616213259 /nfs/dbraw/zinc/21/32/59/616213259.db2.gz JEESATIGAPTFBI-QWHCGFSZSA-N 2 2 289.445 0.614 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC[C@@H]1CS(N)(=O)=O ZINC000931229042 616213260 /nfs/dbraw/zinc/21/32/60/616213260.db2.gz JEESATIGAPTFBI-QWHCGFSZSA-N 2 2 289.445 0.614 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000874833777 616215921 /nfs/dbraw/zinc/21/59/21/616215921.db2.gz NIXBAMZNZJSXOT-STQMWFEESA-N 2 2 262.357 0.658 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000874833777 616215922 /nfs/dbraw/zinc/21/59/22/616215922.db2.gz NIXBAMZNZJSXOT-STQMWFEESA-N 2 2 262.357 0.658 20 0 CCADLP C[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000854659734 616219383 /nfs/dbraw/zinc/21/93/83/616219383.db2.gz QIGBLTZKFXUZLC-AWEZNQCLSA-N 2 2 262.357 0.897 20 0 CCADLP C[N@H+]1CCC[C@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000854659734 616219384 /nfs/dbraw/zinc/21/93/84/616219384.db2.gz QIGBLTZKFXUZLC-AWEZNQCLSA-N 2 2 262.357 0.897 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000899904609 616227386 /nfs/dbraw/zinc/22/73/86/616227386.db2.gz MHUHSFPQLGMXCP-STQMWFEESA-N 2 2 251.374 0.777 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000899904609 616227387 /nfs/dbraw/zinc/22/73/87/616227387.db2.gz MHUHSFPQLGMXCP-STQMWFEESA-N 2 2 251.374 0.777 20 0 CCADLP C[NH+]1CCN(C(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)CC1 ZINC000131563908 616228140 /nfs/dbraw/zinc/22/81/40/616228140.db2.gz CXSXUULWCXTHMO-CQSZACIVSA-N 2 2 286.379 0.812 20 0 CCADLP CN1CC[N@H+](C)CC(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000906676605 616233952 /nfs/dbraw/zinc/23/39/52/616233952.db2.gz NLDRLXIQZJBERB-UHFFFAOYSA-N 2 2 293.415 0.273 20 0 CCADLP CN1CC[N@@H+](C)CC(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000906676605 616233953 /nfs/dbraw/zinc/23/39/53/616233953.db2.gz NLDRLXIQZJBERB-UHFFFAOYSA-N 2 2 293.415 0.273 20 0 CCADLP C[N@@H+]1CCN(C[C@H]([NH3+])CCC(C)(C)C)[C@@H](C[NH3+])C1 ZINC000904350199 616243657 /nfs/dbraw/zinc/24/36/57/616243657.db2.gz IGFWCHDOBVBVKN-OLZOCXBDSA-N 3 2 256.438 0.715 20 0 CCADLP C[N@H+]1CCN(C[C@H]([NH3+])CCC(C)(C)C)[C@@H](C[NH3+])C1 ZINC000904350199 616243658 /nfs/dbraw/zinc/24/36/58/616243658.db2.gz IGFWCHDOBVBVKN-OLZOCXBDSA-N 3 2 256.438 0.715 20 0 CCADLP C[N@@H+]1CC[C@@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC000928560160 616286229 /nfs/dbraw/zinc/28/62/29/616286229.db2.gz OVXZLPNRBCQBMB-CYBMUJFWSA-N 2 2 269.389 0.309 20 0 CCADLP C[N@H+]1CC[C@@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC000928560160 616286232 /nfs/dbraw/zinc/28/62/32/616286232.db2.gz OVXZLPNRBCQBMB-CYBMUJFWSA-N 2 2 269.389 0.309 20 0 CCADLP C[N@@H+]1CC[C@@H]1CNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000925425040 616293545 /nfs/dbraw/zinc/29/35/45/616293545.db2.gz COTJOSDWTIYWGC-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP C[N@H+]1CC[C@@H]1CNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000925425040 616293548 /nfs/dbraw/zinc/29/35/48/616293548.db2.gz COTJOSDWTIYWGC-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP C[N@@H+]1CC[C@@H]1CNC[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000905546163 616302423 /nfs/dbraw/zinc/30/24/23/616302423.db2.gz JDGVWAIXDSBUMB-SJORKVTESA-N 2 2 289.423 0.917 20 0 CCADLP C[N@H+]1CC[C@@H]1CNC[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000905546163 616302427 /nfs/dbraw/zinc/30/24/27/616302427.db2.gz JDGVWAIXDSBUMB-SJORKVTESA-N 2 2 289.423 0.917 20 0 CCADLP C[NH+]1CC[C@@H]1CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000905546163 616302431 /nfs/dbraw/zinc/30/24/31/616302431.db2.gz JDGVWAIXDSBUMB-SJORKVTESA-N 2 2 289.423 0.917 20 0 CCADLP C[NH+]1CC[C@@H]1CNC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000905546163 616302435 /nfs/dbraw/zinc/30/24/35/616302435.db2.gz JDGVWAIXDSBUMB-SJORKVTESA-N 2 2 289.423 0.917 20 0 CCADLP COC(=O)[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)[C@H](C)C1 ZINC000933170676 616309953 /nfs/dbraw/zinc/30/99/53/616309953.db2.gz TZPDKAZMDUESET-YRGRVCCFSA-N 2 2 284.400 0.715 20 0 CCADLP COC(=O)[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)[C@H](C)C1 ZINC000933170676 616309958 /nfs/dbraw/zinc/30/99/58/616309958.db2.gz TZPDKAZMDUESET-YRGRVCCFSA-N 2 2 284.400 0.715 20 0 CCADLP COC(=O)[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)[C@H](C)C1 ZINC000933170676 616309963 /nfs/dbraw/zinc/30/99/63/616309963.db2.gz TZPDKAZMDUESET-YRGRVCCFSA-N 2 2 284.400 0.715 20 0 CCADLP COC(=O)[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)[C@H](C)C1 ZINC000933170676 616309966 /nfs/dbraw/zinc/30/99/66/616309966.db2.gz TZPDKAZMDUESET-YRGRVCCFSA-N 2 2 284.400 0.715 20 0 CCADLP COC(=O)[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000933176396 616310310 /nfs/dbraw/zinc/31/03/10/616310310.db2.gz WMOGHKSENBNXOE-MGPQQGTHSA-N 2 2 284.400 0.717 20 0 CCADLP COC(=O)[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000933176396 616310316 /nfs/dbraw/zinc/31/03/16/616310316.db2.gz WMOGHKSENBNXOE-MGPQQGTHSA-N 2 2 284.400 0.717 20 0 CCADLP COC/C(C)=C\C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000929259746 616387557 /nfs/dbraw/zinc/38/75/57/616387557.db2.gz MGGUDLSKIJCZHL-ACAGNQJTSA-N 2 2 269.389 0.285 20 0 CCADLP C[N@@H+]1CC[C@H]2CN(C(=O)NCCn3cc[nH+]c3)CC[C@@H]21 ZINC000864423335 616438252 /nfs/dbraw/zinc/43/82/52/616438252.db2.gz URNJMNZYXQFBFK-STQMWFEESA-N 2 2 277.372 0.619 20 0 CCADLP C[N@H+]1CC[C@H]2CN(C(=O)NCCn3cc[nH+]c3)CC[C@@H]21 ZINC000864423335 616438255 /nfs/dbraw/zinc/43/82/55/616438255.db2.gz URNJMNZYXQFBFK-STQMWFEESA-N 2 2 277.372 0.619 20 0 CCADLP C[NH+]1C[C@]2(C)CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC000913277542 616513091 /nfs/dbraw/zinc/51/30/91/616513091.db2.gz WDDYVBBPLTXXSJ-ZIAGYGMSSA-N 2 2 262.357 0.752 20 0 CCADLP COC(=O)CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903507393 616531042 /nfs/dbraw/zinc/53/10/42/616531042.db2.gz XYEAKXBRDUWIRJ-GASCZTMLSA-N 2 2 295.427 0.840 20 0 CCADLP COC(=O)CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903507393 616531045 /nfs/dbraw/zinc/53/10/45/616531045.db2.gz XYEAKXBRDUWIRJ-GASCZTMLSA-N 2 2 295.427 0.840 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000821555730 616554500 /nfs/dbraw/zinc/55/45/00/616554500.db2.gz BGKMSZMIHGGQGA-CYBMUJFWSA-N 2 2 297.399 0.178 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000821555730 616554502 /nfs/dbraw/zinc/55/45/02/616554502.db2.gz BGKMSZMIHGGQGA-CYBMUJFWSA-N 2 2 297.399 0.178 20 0 CCADLP COCCOc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000892252681 616592546 /nfs/dbraw/zinc/59/25/46/616592546.db2.gz QDLVMEZFMCRELL-TXEJJXNPSA-N 2 2 266.341 0.956 20 0 CCADLP COCCOc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000892252681 616592549 /nfs/dbraw/zinc/59/25/49/616592549.db2.gz QDLVMEZFMCRELL-TXEJJXNPSA-N 2 2 266.341 0.956 20 0 CCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC000884315905 616686493 /nfs/dbraw/zinc/68/64/93/616686493.db2.gz DPSBXWSLZXJOAA-WCQYABFASA-N 2 2 297.399 0.210 20 0 CCADLP CNC(=O)NC(=O)CC[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880133619 616695206 /nfs/dbraw/zinc/69/52/06/616695206.db2.gz VDBCXVDGTJOEKN-QWRGUYRKSA-N 2 2 268.361 0.001 20 0 CCADLP CNC(=O)NC(=O)CC[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880133619 616695208 /nfs/dbraw/zinc/69/52/08/616695208.db2.gz VDBCXVDGTJOEKN-QWRGUYRKSA-N 2 2 268.361 0.001 20 0 CCADLP CNC(=O)NC(=O)CC[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880133619 616695210 /nfs/dbraw/zinc/69/52/10/616695210.db2.gz VDBCXVDGTJOEKN-QWRGUYRKSA-N 2 2 268.361 0.001 20 0 CCADLP CNC(=O)NC(=O)CC[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880133619 616695212 /nfs/dbraw/zinc/69/52/12/616695212.db2.gz VDBCXVDGTJOEKN-QWRGUYRKSA-N 2 2 268.361 0.001 20 0 CCADLP CNC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000879335873 616750951 /nfs/dbraw/zinc/75/09/51/616750951.db2.gz XNEJIRSHLKNBOP-UONOGXRCSA-N 2 2 298.431 0.227 20 0 CCADLP CNC(=O)NC[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000879335873 616750953 /nfs/dbraw/zinc/75/09/53/616750953.db2.gz XNEJIRSHLKNBOP-UONOGXRCSA-N 2 2 298.431 0.227 20 0 CCADLP COC(=O)N(C)CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000854227841 616795036 /nfs/dbraw/zinc/79/50/36/616795036.db2.gz RNWPFARUSNGYGK-NEPJUHHUSA-N 2 2 271.361 0.041 20 0 CCADLP COC[C@@H](C)[N@@H+]1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000981070471 616797926 /nfs/dbraw/zinc/79/79/26/616797926.db2.gz SJLVYOZANPVTNI-CYBMUJFWSA-N 2 2 294.399 0.912 20 0 CCADLP COC[C@@H](C)[N@H+]1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000981070471 616797929 /nfs/dbraw/zinc/79/79/29/616797929.db2.gz SJLVYOZANPVTNI-CYBMUJFWSA-N 2 2 294.399 0.912 20 0 CCADLP COC(=O)N1CC([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000848534940 616806207 /nfs/dbraw/zinc/80/62/07/616806207.db2.gz BIYFSOUOIKHCPZ-AWEZNQCLSA-N 2 2 297.399 0.670 20 0 CCADLP COCC[N@H+](CC1CC[NH+](C)CC1)C[C@H]1C[NH2+]CCO1 ZINC000866672909 616990735 /nfs/dbraw/zinc/99/07/35/616990735.db2.gz OTNDMRJJNRIYFF-OAHLLOKOSA-N 3 2 285.432 0.265 20 0 CCADLP COCC[N@@H+](CC1CC[NH+](C)CC1)C[C@H]1C[NH2+]CCO1 ZINC000866672909 616990740 /nfs/dbraw/zinc/99/07/40/616990740.db2.gz OTNDMRJJNRIYFF-OAHLLOKOSA-N 3 2 285.432 0.265 20 0 CCADLP C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000911864906 616998550 /nfs/dbraw/zinc/99/85/50/616998550.db2.gz UQSZIOXAVHSQIY-WCQYABFASA-N 2 2 262.357 0.656 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717324 616999300 /nfs/dbraw/zinc/99/93/00/616999300.db2.gz NFQKDLARXNYXKJ-ZIAGYGMSSA-N 3 2 267.417 0.829 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717324 616999302 /nfs/dbraw/zinc/99/93/02/616999302.db2.gz NFQKDLARXNYXKJ-ZIAGYGMSSA-N 3 2 267.417 0.829 20 0 CCADLP COCC[N@@H+](CCC(=O)OC)CCn1cc[nH+]c1 ZINC000151963234 616999558 /nfs/dbraw/zinc/99/95/58/616999558.db2.gz JTCWRAQLKIMVTQ-UHFFFAOYSA-N 2 2 255.318 0.395 20 0 CCADLP COCC[N@H+](CCC(=O)OC)CCn1cc[nH+]c1 ZINC000151963234 616999565 /nfs/dbraw/zinc/99/95/65/616999565.db2.gz JTCWRAQLKIMVTQ-UHFFFAOYSA-N 2 2 255.318 0.395 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCOc2cc(N)ccc2C1 ZINC000866689021 617001464 /nfs/dbraw/zinc/00/14/64/617001464.db2.gz CRCUIZXQQJQZJQ-AWEZNQCLSA-N 2 2 265.357 0.434 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCOc2cc(N)ccc2C1 ZINC000866689021 617001471 /nfs/dbraw/zinc/00/14/71/617001471.db2.gz CRCUIZXQQJQZJQ-AWEZNQCLSA-N 2 2 265.357 0.434 20 0 CCADLP CON(C)C(=O)CC[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931721828 617013029 /nfs/dbraw/zinc/01/30/29/617013029.db2.gz XYHRZHDXXDSMAJ-NEPJUHHUSA-N 2 2 255.362 0.565 20 0 CCADLP CON(C)C(=O)CC[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931721828 617013035 /nfs/dbraw/zinc/01/30/35/617013035.db2.gz XYHRZHDXXDSMAJ-NEPJUHHUSA-N 2 2 255.362 0.565 20 0 CCADLP CON(C)C(=O)CC[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931721828 617013041 /nfs/dbraw/zinc/01/30/41/617013041.db2.gz XYHRZHDXXDSMAJ-NEPJUHHUSA-N 2 2 255.362 0.565 20 0 CCADLP CON(C)C(=O)CC[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931721828 617013045 /nfs/dbraw/zinc/01/30/45/617013045.db2.gz XYHRZHDXXDSMAJ-NEPJUHHUSA-N 2 2 255.362 0.565 20 0 CCADLP CON(C)C(=O)CC[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000905617007 617015341 /nfs/dbraw/zinc/01/53/41/617015341.db2.gz CCKAYYQWNYVGFL-CYBMUJFWSA-N 2 2 285.388 0.239 20 0 CCADLP CON(C)C(=O)CC[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000905617007 617015345 /nfs/dbraw/zinc/01/53/45/617015345.db2.gz CCKAYYQWNYVGFL-CYBMUJFWSA-N 2 2 285.388 0.239 20 0 CCADLP COC[C@H](C)[N@@H+]1CCCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000981295433 617059564 /nfs/dbraw/zinc/05/95/64/617059564.db2.gz JYMLFPCCKHHFHG-ZDUSSCGKSA-N 2 2 294.399 0.912 20 0 CCADLP COC[C@H](C)[N@H+]1CCCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000981295433 617059568 /nfs/dbraw/zinc/05/95/68/617059568.db2.gz JYMLFPCCKHHFHG-ZDUSSCGKSA-N 2 2 294.399 0.912 20 0 CCADLP COC[C@H](C)[N@@H+]1CCCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000981295433 617059571 /nfs/dbraw/zinc/05/95/71/617059571.db2.gz JYMLFPCCKHHFHG-ZDUSSCGKSA-N 2 2 294.399 0.912 20 0 CCADLP COC[C@H](C)[N@H+]1CCCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000981295433 617059574 /nfs/dbraw/zinc/05/95/74/617059574.db2.gz JYMLFPCCKHHFHG-ZDUSSCGKSA-N 2 2 294.399 0.912 20 0 CCADLP CON1CC[C@H]([N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)C1=O ZINC000903445934 617097528 /nfs/dbraw/zinc/09/75/28/617097528.db2.gz OGZIRXVTLSMPEL-UPJWGTAASA-N 2 2 267.373 0.613 20 0 CCADLP CON1CC[C@H]([N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)C1=O ZINC000903445934 617097530 /nfs/dbraw/zinc/09/75/30/617097530.db2.gz OGZIRXVTLSMPEL-UPJWGTAASA-N 2 2 267.373 0.613 20 0 CCADLP CON1CC[C@H]([N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)C1=O ZINC000930055660 617099095 /nfs/dbraw/zinc/09/90/95/617099095.db2.gz QCHBHRBLVNRHEI-RWMBFGLXSA-N 2 2 278.356 0.928 20 0 CCADLP CON1CC[C@H]([N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)C1=O ZINC000930055660 617099097 /nfs/dbraw/zinc/09/90/97/617099097.db2.gz QCHBHRBLVNRHEI-RWMBFGLXSA-N 2 2 278.356 0.928 20 0 CCADLP COc1c(C)c[nH+]c(CNC(=O)CN2CC[NH2+]CC2)c1C ZINC000876740459 617145301 /nfs/dbraw/zinc/14/53/01/617145301.db2.gz MTYAQNXCJATDDW-UHFFFAOYSA-N 2 2 292.383 0.228 20 0 CCADLP COc1c(C)c[nH+]c(CNC(=O)C[C@@H](C[NH3+])OC)c1C ZINC000827976419 617145530 /nfs/dbraw/zinc/14/55/30/617145530.db2.gz QPMSJHCEKUKAHL-NSHDSACASA-N 2 2 281.356 0.687 20 0 CCADLP COc1c(C)c[nH+]c(CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1C ZINC000891459579 617145774 /nfs/dbraw/zinc/14/57/74/617145774.db2.gz BTMWJJVUNZWROD-RYUDHWBXSA-N 2 2 290.367 0.963 20 0 CCADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC000925522968 625359693 /nfs/dbraw/zinc/35/96/93/625359693.db2.gz KDTREQGWYXRRMH-RISCZKNCSA-N 2 2 277.368 0.781 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1c[nH+]cn1C ZINC000892078241 622566572 /nfs/dbraw/zinc/56/65/72/622566572.db2.gz NWDXZYCZZUBULK-ONGXEEELSA-N 2 2 251.334 0.217 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000892188481 622658135 /nfs/dbraw/zinc/65/81/35/622658135.db2.gz RJFDCTBSDLDQHN-SDDRHHMPSA-N 2 2 277.372 0.607 20 0 CCADLP C[C@H](CNc1nccn2c[nH+]cc12)N1CC[NH+](C)CC1 ZINC000892280366 622771230 /nfs/dbraw/zinc/77/12/30/622771230.db2.gz IHPIFDMHEKBAGS-GFCCVEGCSA-N 2 2 274.372 0.777 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001022889644 622836286 /nfs/dbraw/zinc/83/62/86/622836286.db2.gz TVYKFQHYJHQOBR-UTUOFQBUSA-N 2 2 278.356 0.226 20 0 CCADLP CC(C)[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001024912269 623485714 /nfs/dbraw/zinc/48/57/14/623485714.db2.gz DAQIXVSHTZQUED-KGLIPLIRSA-N 2 2 283.416 0.696 20 0 CCADLP CC(C)[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001024912269 623485718 /nfs/dbraw/zinc/48/57/18/623485718.db2.gz DAQIXVSHTZQUED-KGLIPLIRSA-N 2 2 283.416 0.696 20 0 CCADLP NC(=O)C1CC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000926811688 623700049 /nfs/dbraw/zinc/70/00/49/623700049.db2.gz ZAHGPEDYCJFBCE-TUUUFIMRSA-N 2 2 251.374 0.857 20 0 CCADLP NC(=O)C1CC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000926811688 623700054 /nfs/dbraw/zinc/70/00/54/623700054.db2.gz ZAHGPEDYCJFBCE-TUUUFIMRSA-N 2 2 251.374 0.857 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1nccn1C1CC1 ZINC000892894021 623860751 /nfs/dbraw/zinc/86/07/51/623860751.db2.gz RNZANDLEEVMKCI-CYBMUJFWSA-N 2 2 277.416 0.944 20 0 CCADLP C[N@H+](CCC[NH+]1CCCC1)CCN1CCOC1=O ZINC000162286376 623868462 /nfs/dbraw/zinc/86/84/62/623868462.db2.gz JFRZFTSCVGBYGN-UHFFFAOYSA-N 2 2 255.362 0.856 20 0 CCADLP C[N@@H+](CCC[NH+]1CCCC1)CCN1CCOC1=O ZINC000162286376 623868466 /nfs/dbraw/zinc/86/84/66/623868466.db2.gz JFRZFTSCVGBYGN-UHFFFAOYSA-N 2 2 255.362 0.856 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cnsn3)C2)C1 ZINC001019772735 623906114 /nfs/dbraw/zinc/90/61/14/623906114.db2.gz PPFKZSNIYPWCSI-QWRGUYRKSA-N 2 2 295.412 0.180 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cnsn3)C2)C1 ZINC001019772735 623906123 /nfs/dbraw/zinc/90/61/23/623906123.db2.gz PPFKZSNIYPWCSI-QWRGUYRKSA-N 2 2 295.412 0.180 20 0 CCADLP CCC[NH2+][C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001019800755 623911768 /nfs/dbraw/zinc/91/17/68/623911768.db2.gz WMPLTOJLEIYJHH-GJZGRUSLSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1C[NH+](CCCF)C1 ZINC000969441754 624503946 /nfs/dbraw/zinc/50/39/46/624503946.db2.gz MXTBWOOIPWCPPM-DGCLKSJQSA-N 2 2 287.379 0.113 20 0 CCADLP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1C[NH+](CCCF)C1 ZINC000969441754 624503948 /nfs/dbraw/zinc/50/39/48/624503948.db2.gz MXTBWOOIPWCPPM-DGCLKSJQSA-N 2 2 287.379 0.113 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+]CC2CCC2)C1 ZINC001020633464 624554998 /nfs/dbraw/zinc/55/49/98/624554998.db2.gz MEUDGTXADZPWNF-HAQNSBGRSA-N 2 2 262.357 0.989 20 0 CCADLP CC[NH2+][C@H]1C[C@H](NC(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC001020661124 624569187 /nfs/dbraw/zinc/56/91/87/624569187.db2.gz WLPORJMIPCLNGL-HDJSIYSDSA-N 2 2 295.427 0.888 20 0 CCADLP Cn1nccc1C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000970098860 624598280 /nfs/dbraw/zinc/59/82/80/624598280.db2.gz ZKNKVLXVNDOMTJ-LLVKDONJSA-N 2 2 288.355 0.076 20 0 CCADLP C[C@H]([NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1)[C@@H]1CCCC[NH2+]1 ZINC000902503901 634394952 /nfs/dbraw/zinc/39/49/52/634394952.db2.gz YOWQEDHTYDUHMB-XQQFMLRXSA-N 2 2 291.399 0.881 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]([NH2+]Cc2cncs2)C1 ZINC001020818763 624606437 /nfs/dbraw/zinc/60/64/37/624606437.db2.gz BYARXQMBRUOWDQ-MGCOHNPYSA-N 2 2 291.380 0.846 20 0 CCADLP [NH3+][C@H]1C[C@H](CNC(=O)NCCCCn2cc[nH+]c2)C1 ZINC000891402555 624856927 /nfs/dbraw/zinc/85/69/27/624856927.db2.gz YZBMXQZQIPCJTK-HAQNSBGRSA-N 2 2 265.361 0.700 20 0 CCADLP C[C@@H](NC(=O)N1CCC[C@@H]1C[NH3+])[C@@H](C)[NH+]1CCOCC1 ZINC000891515307 624881057 /nfs/dbraw/zinc/88/10/57/624881057.db2.gz AMGKZPAZSVDPIO-JHJVBQTASA-N 2 2 284.404 0.228 20 0 CCADLP OC[C@@H]1CC[NH+]1Cc1cncc(C[N@H+]2CC[C@H]2CO)c1 ZINC000934014322 625002726 /nfs/dbraw/zinc/00/27/26/625002726.db2.gz BVHPFOFQCMJCHM-GJZGRUSLSA-N 2 2 277.368 0.215 20 0 CCADLP OC[C@@H]1CC[NH+]1Cc1cncc(C[N@@H+]2CC[C@H]2CO)c1 ZINC000934014322 625002729 /nfs/dbraw/zinc/00/27/29/625002729.db2.gz BVHPFOFQCMJCHM-GJZGRUSLSA-N 2 2 277.368 0.215 20 0 CCADLP OC[C@@H]1CC[NH+]1CC(C[N@H+]1CC[C@H]1CO)c1ccccc1 ZINC000934017079 625004050 /nfs/dbraw/zinc/00/40/50/625004050.db2.gz YEWANGWINUNTSX-IRXDYDNUSA-N 2 2 290.407 0.903 20 0 CCADLP OC[C@@H]1CC[NH+]1CC(C[N@@H+]1CC[C@H]1CO)c1ccccc1 ZINC000934017079 625004054 /nfs/dbraw/zinc/00/40/54/625004054.db2.gz YEWANGWINUNTSX-IRXDYDNUSA-N 2 2 290.407 0.903 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](C[NH2+]C[C@H]2CCOC2)C1 ZINC001027139959 625742890 /nfs/dbraw/zinc/74/28/90/625742890.db2.gz VDXYIXFZKZWYIQ-CHWSQXEVSA-N 2 2 292.383 0.427 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H](C[NH2+]Cc2cccnc2)C1 ZINC001027246209 625767675 /nfs/dbraw/zinc/76/76/75/625767675.db2.gz RXKGNTVNYZIAOC-HNNXBMFYSA-N 2 2 299.378 0.916 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC[C@H]1CC(=O)N(C)C1 ZINC000903219232 634545051 /nfs/dbraw/zinc/54/50/51/634545051.db2.gz PLLQBHAAPZNQEG-DYEKYZERSA-N 2 2 265.401 0.927 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC[C@H]1CC(=O)N(C)C1 ZINC000903219232 634545056 /nfs/dbraw/zinc/54/50/56/634545056.db2.gz PLLQBHAAPZNQEG-DYEKYZERSA-N 2 2 265.401 0.927 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903764260 634641046 /nfs/dbraw/zinc/64/10/46/634641046.db2.gz QNVJKDJLWLTLEJ-LSDHHAIUSA-N 3 2 278.400 0.974 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903764260 634641051 /nfs/dbraw/zinc/64/10/51/634641051.db2.gz QNVJKDJLWLTLEJ-LSDHHAIUSA-N 3 2 278.400 0.974 20 0 CCADLP [NH3+]C[C@]12CC[C@H]1CCC[N@@H+]2CCO[C@H]1CCOC1 ZINC000903804792 634655044 /nfs/dbraw/zinc/65/50/44/634655044.db2.gz KLGHQSUTDUPSDO-HZSPNIEDSA-N 2 2 254.374 0.995 20 0 CCADLP [NH3+]C[C@]12CC[C@H]1CCC[N@H+]2CCO[C@H]1CCOC1 ZINC000903804792 634655047 /nfs/dbraw/zinc/65/50/47/634655047.db2.gz KLGHQSUTDUPSDO-HZSPNIEDSA-N 2 2 254.374 0.995 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2CCO[C@@H]1CCOC1 ZINC000903804791 634655357 /nfs/dbraw/zinc/65/53/57/634655357.db2.gz KLGHQSUTDUPSDO-BFHYXJOUSA-N 2 2 254.374 0.995 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2CCO[C@@H]1CCOC1 ZINC000903804791 634655362 /nfs/dbraw/zinc/65/53/62/634655362.db2.gz KLGHQSUTDUPSDO-BFHYXJOUSA-N 2 2 254.374 0.995 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000903804711 634655425 /nfs/dbraw/zinc/65/54/25/634655425.db2.gz HTOIWTHIPGXWJY-YYFQZIEXSA-N 2 2 266.385 0.994 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000903804711 634655432 /nfs/dbraw/zinc/65/54/32/634655432.db2.gz HTOIWTHIPGXWJY-YYFQZIEXSA-N 2 2 266.385 0.994 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cnn1C ZINC000903892566 634677752 /nfs/dbraw/zinc/67/77/52/634677752.db2.gz JPEJJYNKTVOAPE-LSDHHAIUSA-N 3 2 293.459 0.729 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cnn1C ZINC000903892566 634677755 /nfs/dbraw/zinc/67/77/55/634677755.db2.gz JPEJJYNKTVOAPE-LSDHHAIUSA-N 3 2 293.459 0.729 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[NH2+][C@H]2CC[NH2+]CC2(C)C)cnn1C ZINC000903919584 634686335 /nfs/dbraw/zinc/68/63/35/634686335.db2.gz OLIGJCZBXZEJMD-HIFRSBDPSA-N 3 2 293.459 0.824 20 0 CCADLP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000903929798 634689262 /nfs/dbraw/zinc/68/92/62/634689262.db2.gz LUSLPXOIELYCHI-MDZLAQPJSA-N 2 2 279.413 0.892 20 0 CCADLP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000903929798 634689263 /nfs/dbraw/zinc/68/92/63/634689263.db2.gz LUSLPXOIELYCHI-MDZLAQPJSA-N 2 2 279.413 0.892 20 0 CCADLP C[C@@H]1CN(C)C(=O)C[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903909979 634683483 /nfs/dbraw/zinc/68/34/83/634683483.db2.gz YVTGGNLKKMMWBR-GFCCVEGCSA-N 2 2 273.380 0.995 20 0 CCADLP C[C@@H]1CN(C)C(=O)C[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000903909979 634683486 /nfs/dbraw/zinc/68/34/86/634683486.db2.gz YVTGGNLKKMMWBR-GFCCVEGCSA-N 2 2 273.380 0.995 20 0 CCADLP [NH3+]C1(C[NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCCC1 ZINC000903932353 634692680 /nfs/dbraw/zinc/69/26/80/634692680.db2.gz BMWQKSCBAKALMT-GFCCVEGCSA-N 3 2 278.404 0.564 20 0 CCADLP O[C@@H](C[NH2+]CCCNc1cccc[nH+]1)C[C@@]1(O)CCOC1 ZINC000905129125 634804804 /nfs/dbraw/zinc/80/48/04/634804804.db2.gz WDMKAQHNYIZLQF-HIFRSBDPSA-N 2 2 295.383 0.376 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NCCn2cc[nH+]c2)CC[N@@H+]1C ZINC000905150307 634810056 /nfs/dbraw/zinc/81/00/56/634810056.db2.gz WTAZSNPHZFCCOH-GHMZBOCLSA-N 2 2 251.334 0.275 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NCCn2cc[nH+]c2)CC[N@H+]1C ZINC000905150307 634810061 /nfs/dbraw/zinc/81/00/61/634810061.db2.gz WTAZSNPHZFCCOH-GHMZBOCLSA-N 2 2 251.334 0.275 20 0 CCADLP C[C@@H]1CN(C(=O)CNc2cccc[nH+]2)C[C@H](C)[N@H+]1CCO ZINC000909032027 635492514 /nfs/dbraw/zinc/49/25/14/635492514.db2.gz HZGBDVALPXGVLH-BETUJISGSA-N 2 2 292.383 0.407 20 0 CCADLP C[C@@H]1CN(C(=O)CNc2cccc[nH+]2)C[C@H](C)[N@@H+]1CCO ZINC000909032027 635492518 /nfs/dbraw/zinc/49/25/18/635492518.db2.gz HZGBDVALPXGVLH-BETUJISGSA-N 2 2 292.383 0.407 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CCC[C@@H]([N@H+](C)CCO)C1 ZINC001027666552 630842221 /nfs/dbraw/zinc/84/22/21/630842221.db2.gz GOUPDLCUZGVCCU-CQSZACIVSA-N 2 2 294.399 0.268 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CCC[C@@H]([N@@H+](C)CCO)C1 ZINC001027666552 630842226 /nfs/dbraw/zinc/84/22/26/630842226.db2.gz GOUPDLCUZGVCCU-CQSZACIVSA-N 2 2 294.399 0.268 20 0 CCADLP O=C1C[C@H]([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CN1CC1CC1 ZINC000925771698 631012242 /nfs/dbraw/zinc/01/22/42/631012242.db2.gz NWOHIJGNNYXRTO-LZWOXQAQSA-N 2 2 293.411 0.354 20 0 CCADLP Cn1nccc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010370571 631354110 /nfs/dbraw/zinc/35/41/10/631354110.db2.gz YEBUNMVQMHYRHC-OCCSQVGLSA-N 2 2 291.399 0.205 20 0 CCADLP Cn1nccc1C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010370571 631354116 /nfs/dbraw/zinc/35/41/16/631354116.db2.gz YEBUNMVQMHYRHC-OCCSQVGLSA-N 2 2 291.399 0.205 20 0 CCADLP Cn1nccc1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001010370571 631354123 /nfs/dbraw/zinc/35/41/23/631354123.db2.gz YEBUNMVQMHYRHC-OCCSQVGLSA-N 2 2 291.399 0.205 20 0 CCADLP Cn1nccc1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001010370571 631354131 /nfs/dbraw/zinc/35/41/31/631354131.db2.gz YEBUNMVQMHYRHC-OCCSQVGLSA-N 2 2 291.399 0.205 20 0 CCADLP C[C@H]1C[N@H+](CCO)CCN1c1nccn2c[nH+]cc12 ZINC000894134611 631549631 /nfs/dbraw/zinc/54/96/31/631549631.db2.gz NYNJWVZBGZVVHB-NSHDSACASA-N 2 2 261.329 0.232 20 0 CCADLP C[C@H]1C[N@@H+](CCO)CCN1c1nccn2c[nH+]cc12 ZINC000894134611 631549639 /nfs/dbraw/zinc/54/96/39/631549639.db2.gz NYNJWVZBGZVVHB-NSHDSACASA-N 2 2 261.329 0.232 20 0 CCADLP C[C@]12CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@]1(C)C[N@H+](CCO)C2 ZINC000982679376 631573347 /nfs/dbraw/zinc/57/33/47/631573347.db2.gz LSLPMKKLCQLZQH-GASCZTMLSA-N 2 2 292.383 0.115 20 0 CCADLP C[C@]12CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@]1(C)C[N@@H+](CCO)C2 ZINC000982679376 631573350 /nfs/dbraw/zinc/57/33/50/631573350.db2.gz LSLPMKKLCQLZQH-GASCZTMLSA-N 2 2 292.383 0.115 20 0 CCADLP Cc1ccnc(N)c1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000894242581 631623490 /nfs/dbraw/zinc/62/34/90/631623490.db2.gz PIMJYCBAXXWDOZ-CHWSQXEVSA-N 2 2 276.384 0.925 20 0 CCADLP Cc1ccnc(N)c1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000894242581 631623494 /nfs/dbraw/zinc/62/34/94/631623494.db2.gz PIMJYCBAXXWDOZ-CHWSQXEVSA-N 2 2 276.384 0.925 20 0 CCADLP Cc1cc[nH+]c(N)c1CN1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000895085694 631930884 /nfs/dbraw/zinc/93/08/84/631930884.db2.gz OUEIJIRCYVVKFV-GFCCVEGCSA-N 2 2 291.399 0.524 20 0 CCADLP C[C@@H]1[C@H](Nc2cc[nH+]c(N3CCOCC3)n2)CC[N@@H+]1C ZINC000895736938 632143407 /nfs/dbraw/zinc/14/34/07/632143407.db2.gz QILWEJNLAGGOGY-VXGBXAGGSA-N 2 2 277.372 0.818 20 0 CCADLP C[C@@H]1[C@H](Nc2cc[nH+]c(N3CCOCC3)n2)CC[N@H+]1C ZINC000895736938 632143411 /nfs/dbraw/zinc/14/34/11/632143411.db2.gz QILWEJNLAGGOGY-VXGBXAGGSA-N 2 2 277.372 0.818 20 0 CCADLP CN(C)c1nc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)cc[nH+]1 ZINC000897220445 632423223 /nfs/dbraw/zinc/42/32/23/632423223.db2.gz BIIGOEXBUXRDPO-OLZOCXBDSA-N 2 2 291.399 0.578 20 0 CCADLP CN(C)c1nc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cc[nH+]1 ZINC000897220445 632423230 /nfs/dbraw/zinc/42/32/30/632423230.db2.gz BIIGOEXBUXRDPO-OLZOCXBDSA-N 2 2 291.399 0.578 20 0 CCADLP CC[N@H+](C)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000985752005 632635833 /nfs/dbraw/zinc/63/58/33/632635833.db2.gz PYUMNARRYKVFKI-UHFFFAOYSA-N 2 2 264.373 0.905 20 0 CCADLP CC[N@@H+](C)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000985752005 632635836 /nfs/dbraw/zinc/63/58/36/632635836.db2.gz PYUMNARRYKVFKI-UHFFFAOYSA-N 2 2 264.373 0.905 20 0 CCADLP O=C(N[C@H]1CCC[N@@H+](CCO)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001007703704 650088705 /nfs/dbraw/zinc/08/87/05/650088705.db2.gz IOBLRJIZLFUUOB-STQMWFEESA-N 2 2 292.383 0.018 20 0 CCADLP O=C(N[C@H]1CCC[N@H+](CCO)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001007703704 650088707 /nfs/dbraw/zinc/08/87/07/650088707.db2.gz IOBLRJIZLFUUOB-STQMWFEESA-N 2 2 292.383 0.018 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N1C[C@H]([NH2+]CCO)C[C@@H]1C ZINC000989046443 633140726 /nfs/dbraw/zinc/14/07/26/633140726.db2.gz NNFCKRXJMCCTMU-WCQYABFASA-N 2 2 293.367 0.204 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCCn2ccc(=O)[nH]c2=O)C[N@@H+]1C1CC1 ZINC000898332321 633305316 /nfs/dbraw/zinc/30/53/16/633305316.db2.gz KPLDUJDJYMWMAK-NWDGAFQWSA-N 2 2 292.383 0.554 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCCn2ccc(=O)[nH]c2=O)C[N@H+]1C1CC1 ZINC000898332321 633305321 /nfs/dbraw/zinc/30/53/21/633305321.db2.gz KPLDUJDJYMWMAK-NWDGAFQWSA-N 2 2 292.383 0.554 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[N@H+](C[C@H]2CCOC2)CC1 ZINC000989787685 633355054 /nfs/dbraw/zinc/35/50/54/633355054.db2.gz UHTRAQDAMHVBTP-CQSZACIVSA-N 2 2 292.383 0.454 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[N@@H+](C[C@H]2CCOC2)CC1 ZINC000989787685 633355060 /nfs/dbraw/zinc/35/50/60/633355060.db2.gz UHTRAQDAMHVBTP-CQSZACIVSA-N 2 2 292.383 0.454 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898504145 633616913 /nfs/dbraw/zinc/61/69/13/633616913.db2.gz OGCOHOWXMVLXHL-LBPRGKRZSA-N 2 2 268.336 0.742 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898504145 633616926 /nfs/dbraw/zinc/61/69/26/633616926.db2.gz OGCOHOWXMVLXHL-LBPRGKRZSA-N 2 2 268.336 0.742 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000899244469 633767588 /nfs/dbraw/zinc/76/75/88/633767588.db2.gz CYPVJBAGQFHUMS-LBPRGKRZSA-N 2 2 295.387 0.421 20 0 CCADLP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900818737 634100950 /nfs/dbraw/zinc/10/09/50/634100950.db2.gz HORYFRJPZZVWQU-CMPLNLGQSA-N 2 2 250.346 0.751 20 0 CCADLP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900818737 634100954 /nfs/dbraw/zinc/10/09/54/634100954.db2.gz HORYFRJPZZVWQU-CMPLNLGQSA-N 2 2 250.346 0.751 20 0 CCADLP O=C(CNc1cccc[nH+]1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000901132353 634196786 /nfs/dbraw/zinc/19/67/86/634196786.db2.gz DCEOODABRHCRBU-CYBMUJFWSA-N 2 2 292.383 0.457 20 0 CCADLP Cc1cccc([C@@H](O)C[NH2+]C[C@@H](O)C[NH+](C)C)c1 ZINC000905347453 634844766 /nfs/dbraw/zinc/84/47/66/634844766.db2.gz YTLUKOUNFHEDKM-KGLIPLIRSA-N 2 2 252.358 0.541 20 0 CCADLP C[C@@H](O)[C@H]1CCN(c2cc(N3CCC[C@H]([NH3+])C3)nc[nH+]2)C1 ZINC000905718865 634900018 /nfs/dbraw/zinc/90/00/18/634900018.db2.gz FPAXXKYARMSAPC-AGIUHOORSA-N 2 2 291.399 0.611 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC000907836361 635221388 /nfs/dbraw/zinc/22/13/88/635221388.db2.gz NMYQCNUAIOVVML-CYBMUJFWSA-N 2 2 281.400 0.261 20 0 CCADLP CC(C)=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001010425672 650224488 /nfs/dbraw/zinc/22/44/88/650224488.db2.gz FECTUIVUMDBVCO-KGLIPLIRSA-N 2 2 281.400 0.474 20 0 CCADLP CC(C)=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001010425672 650224492 /nfs/dbraw/zinc/22/44/92/650224492.db2.gz FECTUIVUMDBVCO-KGLIPLIRSA-N 2 2 281.400 0.474 20 0 CCADLP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001010425672 650224495 /nfs/dbraw/zinc/22/44/95/650224495.db2.gz FECTUIVUMDBVCO-KGLIPLIRSA-N 2 2 281.400 0.474 20 0 CCADLP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001010425672 650224499 /nfs/dbraw/zinc/22/44/99/650224499.db2.gz FECTUIVUMDBVCO-KGLIPLIRSA-N 2 2 281.400 0.474 20 0 CCADLP [NH3+]C[C@@H](NC(=O)C[C@@H]([NH3+])C(F)F)C1CCCCC1 ZINC000911821551 636408431 /nfs/dbraw/zinc/40/84/31/636408431.db2.gz USCIBZOZOFIMQU-NXEZZACHSA-N 2 2 263.332 0.993 20 0 CCADLP C[C@@](CO)([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000227531064 637028784 /nfs/dbraw/zinc/02/87/84/637028784.db2.gz KQZKDKLUWXBGHN-CVEARBPZSA-N 2 2 278.396 0.940 20 0 CCADLP O=C(N[C@H]1CC[N@H+](CCCO)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001014992142 637283247 /nfs/dbraw/zinc/28/32/47/637283247.db2.gz WDDWSHJFBNLRPI-OLZOCXBDSA-N 2 2 292.383 0.018 20 0 CCADLP C[C@H]1[C@@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@@H+]1C ZINC000913877087 637458189 /nfs/dbraw/zinc/45/81/89/637458189.db2.gz VXKPAGBBUNTUMY-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H]1[C@@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@H+]1C ZINC000913877087 637458194 /nfs/dbraw/zinc/45/81/94/637458194.db2.gz VXKPAGBBUNTUMY-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2COc3ccccc3O2)CCCO1 ZINC000313407932 637500375 /nfs/dbraw/zinc/50/03/75/637500375.db2.gz YMLMCPGRZQVMNQ-CHWSQXEVSA-N 2 2 278.352 0.876 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2COc3ccccc3O2)CCCO1 ZINC000313407932 637500378 /nfs/dbraw/zinc/50/03/78/637500378.db2.gz YMLMCPGRZQVMNQ-CHWSQXEVSA-N 2 2 278.352 0.876 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC1([NH+](C)C)CC1 ZINC000914196290 637557466 /nfs/dbraw/zinc/55/74/66/637557466.db2.gz MTIZJNRLIKWRLP-NSHDSACASA-N 2 2 265.361 0.665 20 0 CCADLP O[C@@H](C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)C[C@]1(O)CCOC1 ZINC000929803305 637569809 /nfs/dbraw/zinc/56/98/09/637569809.db2.gz GKSRDPHVZXSCGB-UKRRQHHQSA-N 2 2 295.383 0.492 20 0 CCADLP C[C@H](CNC(=S)NCCC[NH+](C)C)[NH+]1CCOCC1 ZINC000914705539 637702690 /nfs/dbraw/zinc/70/26/90/637702690.db2.gz XMNQSGWXAKOPEC-GFCCVEGCSA-N 2 2 288.461 0.123 20 0 CCADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070149785 638460278 /nfs/dbraw/zinc/46/02/78/638460278.db2.gz VEXGDTZLSPRJGB-CYBMUJFWSA-N 2 2 298.431 0.174 20 0 CCADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070149785 638460283 /nfs/dbraw/zinc/46/02/83/638460283.db2.gz VEXGDTZLSPRJGB-CYBMUJFWSA-N 2 2 298.431 0.174 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@H]([NH2+]CCO)C(C)(C)C1 ZINC000996573635 638823244 /nfs/dbraw/zinc/82/32/44/638823244.db2.gz KWWDZNZDHUDGCP-ZDUSSCGKSA-N 2 2 294.399 0.172 20 0 CCADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CCC([NH2+]CCO)CC1 ZINC000996986780 638847331 /nfs/dbraw/zinc/84/73/31/638847331.db2.gz BWAPOIZKRFXXKY-GFCCVEGCSA-N 2 2 292.383 0.403 20 0 CCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC[C@H]([NH2+]CCO)C1 ZINC000999537774 638984770 /nfs/dbraw/zinc/98/47/70/638984770.db2.gz UKGAFYKFJSNHOM-OLZOCXBDSA-N 2 2 292.383 0.018 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000999776474 638995799 /nfs/dbraw/zinc/99/57/99/638995799.db2.gz PLGKPOGPTCZIIE-OLZOCXBDSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000999776476 638996292 /nfs/dbraw/zinc/99/62/92/638996292.db2.gz PLGKPOGPTCZIIE-QWHCGFSZSA-N 2 2 294.399 0.314 20 0 CCADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CCC[C@H]([NH2+]CCO)C1 ZINC001000157114 639046592 /nfs/dbraw/zinc/04/65/92/639046592.db2.gz GNBRVTUOPBPNKM-RYUDHWBXSA-N 2 2 292.383 0.403 20 0 CCADLP [NH3+]CC[N@H+](CCO)C[C@@H](O)CCc1ccccc1 ZINC000923332637 640089690 /nfs/dbraw/zinc/08/96/90/640089690.db2.gz UIUOTGFWAMGHMZ-AWEZNQCLSA-N 2 2 252.358 0.233 20 0 CCADLP [NH3+]CC[N@@H+](CCO)C[C@@H](O)CCc1ccccc1 ZINC000923332637 640089698 /nfs/dbraw/zinc/08/96/98/640089698.db2.gz 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CCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccnc(-n2cncn2)c1 ZINC000873238408 646364279 /nfs/dbraw/zinc/36/42/79/646364279.db2.gz YNAGHJZHDCRTKN-AAEUAGOBSA-N 2 2 272.356 0.750 20 0 CCADLP O=C1OCC[C@@H]1CCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000873282478 646369642 /nfs/dbraw/zinc/36/96/42/646369642.db2.gz ISFKQVUHCRULIW-MJBXVCDLSA-N 2 2 282.384 0.686 20 0 CCADLP O=C(C[NH+]1CCCC1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000874324489 646443599 /nfs/dbraw/zinc/44/35/99/646443599.db2.gz KLRXKISUQQYJKC-UHFFFAOYSA-N 2 2 261.325 0.767 20 0 CCADLP O=C(NCCn1cc[nH+]c1)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000874433870 646464812 /nfs/dbraw/zinc/46/48/12/646464812.db2.gz UCMBGZOHMBUDGY-HNNXBMFYSA-N 2 2 299.378 0.897 20 0 CCADLP C[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000876516269 646616821 /nfs/dbraw/zinc/61/68/21/646616821.db2.gz ONQLFEIYIMVGRZ-RDJPRVRMSA-N 2 2 281.400 0.379 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876724437 646651204 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C[N@H+](C[C@@H](O)C[NH+](CC1CC1)[C@@H](C(N)=O)C1CC1)C1CC1 ZINC000879487706 647064732 /nfs/dbraw/zinc/06/47/32/647064732.db2.gz ZMCHLVKOCVCHOH-HUUCEWRRSA-N 2 2 295.427 0.417 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+](CC1CC1)[C@@H](C(N)=O)C1CC1)C1CC1 ZINC000879487706 647064735 /nfs/dbraw/zinc/06/47/35/647064735.db2.gz ZMCHLVKOCVCHOH-HUUCEWRRSA-N 2 2 295.427 0.417 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+](CC1CC1)[C@@H](C(N)=O)C1CC1)C1CC1 ZINC000879487706 647064737 /nfs/dbraw/zinc/06/47/37/647064737.db2.gz ZMCHLVKOCVCHOH-HUUCEWRRSA-N 2 2 295.427 0.417 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+](CC1CC1)[C@@H](C(N)=O)C1CC1)C1CC1 ZINC000879487706 647064741 /nfs/dbraw/zinc/06/47/41/647064741.db2.gz ZMCHLVKOCVCHOH-HUUCEWRRSA-N 2 2 295.427 0.417 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000879722814 647101586 /nfs/dbraw/zinc/10/15/86/647101586.db2.gz YEERZVGIWDPDBS-OLZOCXBDSA-N 2 2 278.356 0.171 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000879722814 647101589 /nfs/dbraw/zinc/10/15/89/647101589.db2.gz YEERZVGIWDPDBS-OLZOCXBDSA-N 2 2 278.356 0.171 20 0 CCADLP c1cn(CC[NH+]2CCC3(CC2)COCCO3)c[nH+]1 ZINC000880546141 647226908 /nfs/dbraw/zinc/22/69/08/647226908.db2.gz PCJRBBSPCPQOJA-UHFFFAOYSA-N 2 2 251.330 0.765 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)CN1CCOC1=S ZINC000130621425 647470676 /nfs/dbraw/zinc/47/06/76/647470676.db2.gz UZNSZDCARKYTEE-UHFFFAOYSA-N 2 2 254.359 0.780 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)CN1CCOC1=S ZINC000130621425 647470681 /nfs/dbraw/zinc/47/06/81/647470681.db2.gz UZNSZDCARKYTEE-UHFFFAOYSA-N 2 2 254.359 0.780 20 0 CCADLP [NH3+][C@H](CC1CC1)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000884211087 647669981 /nfs/dbraw/zinc/66/99/81/647669981.db2.gz SMKSUOCNLYXCDX-LSDHHAIUSA-N 2 2 295.427 0.827 20 0 CCADLP Cc1nc(NCC[N@H+](C)CCO)c2c([nH+]1)CCCC2 ZINC000884824829 647808219 /nfs/dbraw/zinc/80/82/19/647808219.db2.gz QBOBGIMHZUSEKL-UHFFFAOYSA-N 2 2 264.373 1.000 20 0 CCADLP Cc1nc(NCC[N@@H+](C)CCO)c2c([nH+]1)CCCC2 ZINC000884824829 647808226 /nfs/dbraw/zinc/80/82/26/647808226.db2.gz QBOBGIMHZUSEKL-UHFFFAOYSA-N 2 2 264.373 1.000 20 0 CCADLP O=C(C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)NC(=O)NC1CC1 ZINC000886868013 648028019 /nfs/dbraw/zinc/02/80/19/648028019.db2.gz TYVUGKCKWFMICS-HNNXBMFYSA-N 2 2 294.399 0.440 20 0 CCADLP O=C(C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)NC(=O)NC1CC1 ZINC000886868013 648028023 /nfs/dbraw/zinc/02/80/23/648028023.db2.gz TYVUGKCKWFMICS-HNNXBMFYSA-N 2 2 294.399 0.440 20 0 CCADLP C[C@@H]([NH3+])Cn1cc(-c2csc(Cn3cc[nH+]c3)n2)nn1 ZINC000887531450 648124588 /nfs/dbraw/zinc/12/45/88/648124588.db2.gz OZUJAPLGJQCUFB-SECBINFHSA-N 2 2 289.368 0.994 20 0 CCADLP c1cc2c(s1)CC[N@@H+](CCN[C@@H]1C[NH2+]CCOC1)C2 ZINC000925496159 648324060 /nfs/dbraw/zinc/32/40/60/648324060.db2.gz TWQJWPKFLXTKLH-CYBMUJFWSA-N 2 2 281.425 0.684 20 0 CCADLP c1cc2c(s1)CC[N@H+](CCN[C@@H]1C[NH2+]CCOC1)C2 ZINC000925496159 648324066 /nfs/dbraw/zinc/32/40/66/648324066.db2.gz TWQJWPKFLXTKLH-CYBMUJFWSA-N 2 2 281.425 0.684 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC000925322138 648414131 /nfs/dbraw/zinc/41/41/31/648414131.db2.gz DHUPKUJJJUYFDO-MCIONIFRSA-N 2 2 296.415 0.195 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC[N@H+]1C ZINC000925322138 648414133 /nfs/dbraw/zinc/41/41/33/648414133.db2.gz DHUPKUJJJUYFDO-MCIONIFRSA-N 2 2 296.415 0.195 20 0 CCADLP C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925504324 648440134 /nfs/dbraw/zinc/44/01/34/648440134.db2.gz LRRDMLBXJLJMMG-VXGBXAGGSA-N 2 2 251.374 0.872 20 0 CCADLP C[C@H]([NH3+])[C@H]([NH2+]CCCNS(C)(=O)=O)c1ccccc1 ZINC000925517191 648440667 /nfs/dbraw/zinc/44/06/67/648440667.db2.gz KBCYMYSZBXAION-AAEUAGOBSA-N 2 2 285.413 0.604 20 0 CCADLP CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925608237 648447286 /nfs/dbraw/zinc/44/72/86/648447286.db2.gz UIQGJDDEAJAJMO-VXGBXAGGSA-N 2 2 287.429 0.285 20 0 CCADLP [NH3+][C@@H]1C[C@@H]([NH+]2CCN(c3nccnn3)CC2)C12CCC2 ZINC000925724247 648457640 /nfs/dbraw/zinc/45/76/40/648457640.db2.gz XZFDXWPUYQEETP-VXGBXAGGSA-N 2 2 274.372 0.264 20 0 CCADLP FC(F)(F)CN1CCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]C1 ZINC000925835081 648465151 /nfs/dbraw/zinc/46/51/51/648465151.db2.gz MCKZTTTUMLICHM-NXEZZACHSA-N 2 2 251.296 0.965 20 0 CCADLP [NH3+][C@@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCNCC2)C12CCC2 ZINC000925840017 648465674 /nfs/dbraw/zinc/46/56/74/648465674.db2.gz FQTMTOMVIUZXGH-HUUCEWRRSA-N 3 2 280.460 0.921 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@@H]1CCCC[NH2+]1 ZINC000925849853 648466252 /nfs/dbraw/zinc/46/62/52/648466252.db2.gz QXVCWQGYUUITMS-IHRRRGAJSA-N 3 2 295.427 0.792 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCc2nnn(C)c2C1 ZINC000925893069 648468807 /nfs/dbraw/zinc/46/88/07/648468807.db2.gz KHOFNIOJTUNAQD-GRYCIOLGSA-N 2 2 279.388 0.029 20 0 CCADLP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927105594 648545302 /nfs/dbraw/zinc/54/53/02/648545302.db2.gz LAFAQNRIWIWTMT-UMVBOHGHSA-N 2 2 295.427 0.887 20 0 CCADLP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927105594 648545303 /nfs/dbraw/zinc/54/53/03/648545303.db2.gz LAFAQNRIWIWTMT-UMVBOHGHSA-N 2 2 295.427 0.887 20 0 CCADLP C[C@H](CC(N)=O)[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927109538 648545621 /nfs/dbraw/zinc/54/56/21/648545621.db2.gz PPESMAGXMBIQGJ-PWSUYJOCSA-N 2 2 255.362 0.093 20 0 CCADLP C[C@H](CC(N)=O)[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927109538 648545623 /nfs/dbraw/zinc/54/56/23/648545623.db2.gz PPESMAGXMBIQGJ-PWSUYJOCSA-N 2 2 255.362 0.093 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928081944 648613803 /nfs/dbraw/zinc/61/38/03/648613803.db2.gz POZXTHQMJJFKGS-STQMWFEESA-N 2 2 294.424 0.888 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928081944 648613806 /nfs/dbraw/zinc/61/38/06/648613806.db2.gz POZXTHQMJJFKGS-STQMWFEESA-N 2 2 294.424 0.888 20 0 CCADLP Cc1[nH]c(CN2CC[NH+](CCCCO)CC2)c(C)[nH+]1 ZINC000930005763 648812186 /nfs/dbraw/zinc/81/21/86/648812186.db2.gz AUKGKTALMKVURF-UHFFFAOYSA-N 2 2 266.389 0.917 20 0 CCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C[C@H]1CCC[N@@H+]1C ZINC000930455477 648863496 /nfs/dbraw/zinc/86/34/96/648863496.db2.gz PDUIWVSESVSXRM-RRFJBIMHSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C[C@H]1CCC[N@H+]1C ZINC000930455477 648863498 /nfs/dbraw/zinc/86/34/98/648863498.db2.gz PDUIWVSESVSXRM-RRFJBIMHSA-N 2 2 267.417 0.876 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCNC(=O)CC1(C)C ZINC000931203001 648965012 /nfs/dbraw/zinc/96/50/12/648965012.db2.gz LMWOXJGYFZPMQI-UHFFFAOYSA-N 2 2 264.373 0.953 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCNC(=O)CC1(C)C ZINC000931203001 648965018 /nfs/dbraw/zinc/96/50/18/648965018.db2.gz LMWOXJGYFZPMQI-UHFFFAOYSA-N 2 2 264.373 0.953 20 0 CCADLP Cc1nc(C[NH+]2CCC(O)(C[NH+](C)C)CC2)[nH]c1C ZINC000931480099 648994616 /nfs/dbraw/zinc/99/46/16/648994616.db2.gz LRUHCFJZPUIOGE-UHFFFAOYSA-N 2 2 266.389 0.915 20 0 CCADLP Cc1[nH]c(CN2CCC(O)(C[NH+](C)C)CC2)[nH+]c1C ZINC000931480099 648994617 /nfs/dbraw/zinc/99/46/17/648994617.db2.gz LRUHCFJZPUIOGE-UHFFFAOYSA-N 2 2 266.389 0.915 20 0 CCADLP Cc1cc2c(nc[nH+]c2N2CCN3CC[NH2+]C[C@H]3C2)[nH]1 ZINC001164392941 718832051 /nfs/dbraw/zinc/83/20/51/718832051.db2.gz SQJHYYDCXZMVDY-NSHDSACASA-N 2 2 272.356 0.360 20 0 CCADLP Cc1cc2c(nc[nH+]c2N2CCN3CC[NH2+]C[C@@H]3C2)[nH]1 ZINC001164392939 718832113 /nfs/dbraw/zinc/83/21/13/718832113.db2.gz SQJHYYDCXZMVDY-LLVKDONJSA-N 2 2 272.356 0.360 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NC1CC[NH+](CCO)CC1 ZINC001230434675 805601464 /nfs/dbraw/zinc/60/14/64/805601464.db2.gz QEQFKPAVVSFKCE-UHFFFAOYSA-N 2 2 280.372 0.236 20 0 CCADLP CCOC(=O)CN1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001208603323 790424470 /nfs/dbraw/zinc/42/44/70/790424470.db2.gz BDLNGJNLOVWUHV-CQSZACIVSA-N 2 2 283.416 0.509 20 0 CCADLP CCOC(=O)CN1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001208603323 790424476 /nfs/dbraw/zinc/42/44/76/790424476.db2.gz BDLNGJNLOVWUHV-CQSZACIVSA-N 2 2 283.416 0.509 20 0 CCADLP C[N@@H+]1CCC[C@@H](C[NH+]2C[C@](O)(C(F)(F)F)C[C@H]2CO)C1 ZINC001208608173 790427701 /nfs/dbraw/zinc/42/77/01/790427701.db2.gz QVXNVYMFALMMEN-WOPDTQHZSA-N 2 2 296.333 0.688 20 0 CCADLP C[N@H+]1CCC[C@@H](C[NH+]2C[C@](O)(C(F)(F)F)C[C@H]2CO)C1 ZINC001208608173 790427713 /nfs/dbraw/zinc/42/77/13/790427713.db2.gz QVXNVYMFALMMEN-WOPDTQHZSA-N 2 2 296.333 0.688 20 0 CCADLP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@](O)(C(F)(F)F)C[C@H]2CO)C1 ZINC001208608173 790427720 /nfs/dbraw/zinc/42/77/20/790427720.db2.gz QVXNVYMFALMMEN-WOPDTQHZSA-N 2 2 296.333 0.688 20 0 CCADLP C[NH+]1CCC[C@@H](C[N@H+]2C[C@](O)(C(F)(F)F)C[C@H]2CO)C1 ZINC001208608173 790427728 /nfs/dbraw/zinc/42/77/28/790427728.db2.gz QVXNVYMFALMMEN-WOPDTQHZSA-N 2 2 296.333 0.688 20 0 CCADLP CC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001075369655 790690347 /nfs/dbraw/zinc/69/03/47/790690347.db2.gz WLTGQGOCYKSBMY-STQMWFEESA-N 2 2 264.373 0.977 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]([NH2+]CCF)C1CC1 ZINC001266445503 790724415 /nfs/dbraw/zinc/72/44/15/790724415.db2.gz SJJITYDTORCBJF-NSHDSACASA-N 2 2 254.309 0.337 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+]C(C)C)C1 ZINC000970576626 790880125 /nfs/dbraw/zinc/88/01/25/790880125.db2.gz BZRXDEYZCBPELC-LLVKDONJSA-N 2 2 250.346 0.860 20 0 CCADLP C[C@@H](O)C[NH2+]CC1(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001167331414 790904612 /nfs/dbraw/zinc/90/46/12/790904612.db2.gz JOHSHIZVRKLDSW-LLVKDONJSA-N 2 2 280.372 0.209 20 0 CCADLP COC(=O)C1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000382341491 790918367 /nfs/dbraw/zinc/91/83/67/790918367.db2.gz YRGANVZJQYZGFC-CYBMUJFWSA-N 2 2 270.373 0.328 20 0 CCADLP COC(=O)C1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000382341492 790919319 /nfs/dbraw/zinc/91/93/19/790919319.db2.gz YRGANVZJQYZGFC-ZDUSSCGKSA-N 2 2 270.373 0.328 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]CC[C@H]1CCCO1 ZINC001167346602 790933291 /nfs/dbraw/zinc/93/32/91/790933291.db2.gz QCDZVPHRSMHLHJ-CYBMUJFWSA-N 2 2 280.372 0.617 20 0 CCADLP CC[N@@H+]1C[C@H]2OCCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@H]2C1 ZINC001083209423 791019017 /nfs/dbraw/zinc/01/90/17/791019017.db2.gz GFHGCIRSBXEELP-HZSPNIEDSA-N 2 2 292.383 0.766 20 0 CCADLP CC[N@H+]1C[C@H]2OCCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@H]2C1 ZINC001083209423 791019028 /nfs/dbraw/zinc/01/90/28/791019028.db2.gz GFHGCIRSBXEELP-HZSPNIEDSA-N 2 2 292.383 0.766 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+]CC2CC2)C1 ZINC001266690344 791144182 /nfs/dbraw/zinc/14/41/82/791144182.db2.gz ILFLXCAZJRBVBP-BETUJISGSA-N 2 2 262.357 0.989 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@@H]([NH2+]CC2CC2)C1 ZINC001266690344 791144183 /nfs/dbraw/zinc/14/41/83/791144183.db2.gz ILFLXCAZJRBVBP-BETUJISGSA-N 2 2 262.357 0.989 20 0 CCADLP O=C(N[C@H]1C[C@@H]([NH2+]CCCO)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001266695533 791151233 /nfs/dbraw/zinc/15/12/33/791151233.db2.gz YQYMRTUHIUNAEP-RWMBFGLXSA-N 2 2 292.383 0.065 20 0 CCADLP Cc1[nH]c(CN2CCC([NH+]3CCN(C)CC3)CC2)c[nH+]1 ZINC001232462959 805941095 /nfs/dbraw/zinc/94/10/95/805941095.db2.gz YBAWSHBDVNUOEX-UHFFFAOYSA-N 2 2 277.416 0.930 20 0 CCADLP CC(C)OCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001266714167 791172495 /nfs/dbraw/zinc/17/24/95/791172495.db2.gz DULRTWDJANWEGV-TXEJJXNPSA-N 2 2 280.372 0.614 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]C[C@@H]1CCOC1 ZINC001266995361 791429574 /nfs/dbraw/zinc/42/95/74/791429574.db2.gz GUGUEUYQALKREA-NEPJUHHUSA-N 2 2 266.345 0.014 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001267020730 791456897 /nfs/dbraw/zinc/45/68/97/791456897.db2.gz MSXSSCYHJSYJSB-NEPJUHHUSA-N 2 2 280.372 0.425 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001267020730 791456903 /nfs/dbraw/zinc/45/69/03/791456903.db2.gz MSXSSCYHJSYJSB-NEPJUHHUSA-N 2 2 280.372 0.425 20 0 CCADLP C[C@H]1CN(c2ccc(NCc3cc[nH+]c(N)c3)nn2)CC[NH2+]1 ZINC001167613330 791629391 /nfs/dbraw/zinc/62/93/91/791629391.db2.gz JHWIPTMIKOJLCE-NSHDSACASA-N 2 2 299.382 0.864 20 0 CCADLP Nc1cc(CNc2cnc(O[C@H]3CC[NH2+]C3)nc2)cc[nH+]1 ZINC001167617501 791637120 /nfs/dbraw/zinc/63/71/20/791637120.db2.gz PBCDKONADBOIOO-LBPRGKRZSA-N 2 2 286.339 0.807 20 0 CCADLP C[N@H+](CCNC(=O)CCc1c[nH]c[nH+]1)CC1CC1 ZINC001267199060 791661676 /nfs/dbraw/zinc/66/16/76/791661676.db2.gz INDCCVDZJNSLKD-UHFFFAOYSA-N 2 2 250.346 0.800 20 0 CCADLP C[N@@H+](CCNC(=O)CCc1c[nH]c[nH+]1)CC1CC1 ZINC001267199060 791661682 /nfs/dbraw/zinc/66/16/82/791661682.db2.gz INDCCVDZJNSLKD-UHFFFAOYSA-N 2 2 250.346 0.800 20 0 CCADLP C[N@H+](CCNC(=O)CCc1c[nH+]c[nH]1)CC1CC1 ZINC001267199060 791661686 /nfs/dbraw/zinc/66/16/86/791661686.db2.gz INDCCVDZJNSLKD-UHFFFAOYSA-N 2 2 250.346 0.800 20 0 CCADLP C[N@@H+](CCNC(=O)CCc1c[nH+]c[nH]1)CC1CC1 ZINC001267199060 791661690 /nfs/dbraw/zinc/66/16/90/791661690.db2.gz INDCCVDZJNSLKD-UHFFFAOYSA-N 2 2 250.346 0.800 20 0 CCADLP C[NH+](C)CC(C)(C)CNC(=O)C[C@@H]([NH3+])C(F)F ZINC000724714938 791703918 /nfs/dbraw/zinc/70/39/18/791703918.db2.gz DSBWWUZBPPEIKC-MRVPVSSYSA-N 2 2 251.321 0.673 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001234012219 806168051 /nfs/dbraw/zinc/16/80/51/806168051.db2.gz OTSRKPJUGKPTQB-VXGBXAGGSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001234012219 806168057 /nfs/dbraw/zinc/16/80/57/806168057.db2.gz OTSRKPJUGKPTQB-VXGBXAGGSA-N 2 2 280.372 0.256 20 0 CCADLP CN(C)c1ccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)s1 ZINC001235053893 806356238 /nfs/dbraw/zinc/35/62/38/806356238.db2.gz MGLVYBDUIADKSO-CQSZACIVSA-N 2 2 280.441 0.951 20 0 CCADLP CN(C)c1ccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)s1 ZINC001235053893 806356246 /nfs/dbraw/zinc/35/62/46/806356246.db2.gz MGLVYBDUIADKSO-CQSZACIVSA-N 2 2 280.441 0.951 20 0 CCADLP c1nc2cc(C[N@@H+]3CCN[C@]4(CC[NH2+]C4)C3)ccc2[nH]1 ZINC001235052904 806355542 /nfs/dbraw/zinc/35/55/42/806355542.db2.gz RIDOEHQJWUYNFQ-HNNXBMFYSA-N 2 2 271.368 0.700 20 0 CCADLP c1nc2cc(C[N@H+]3CCN[C@]4(CC[NH2+]C4)C3)ccc2[nH]1 ZINC001235052904 806355552 /nfs/dbraw/zinc/35/55/52/806355552.db2.gz RIDOEHQJWUYNFQ-HNNXBMFYSA-N 2 2 271.368 0.700 20 0 CCADLP COc1ccc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1N ZINC001235060570 806362333 /nfs/dbraw/zinc/36/23/33/806362333.db2.gz GKKIEDWEYCKXIA-HNNXBMFYSA-N 2 2 276.384 0.415 20 0 CCADLP COc1ccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1N ZINC001235060570 806362341 /nfs/dbraw/zinc/36/23/41/806362341.db2.gz GKKIEDWEYCKXIA-HNNXBMFYSA-N 2 2 276.384 0.415 20 0 CCADLP c1cc2n(c1C[N@@H+]1CCN[C@]3(CC[NH2+]C3)C1)CCC2 ZINC001235060198 806362689 /nfs/dbraw/zinc/36/26/89/806362689.db2.gz FSPCMRDCCZCCPD-HNNXBMFYSA-N 2 2 260.385 0.572 20 0 CCADLP c1cc2n(c1C[N@H+]1CCN[C@]3(CC[NH2+]C3)C1)CCC2 ZINC001235060198 806362697 /nfs/dbraw/zinc/36/26/97/806362697.db2.gz FSPCMRDCCZCCPD-HNNXBMFYSA-N 2 2 260.385 0.572 20 0 CCADLP CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3C[C@H]4CCC[C@@]4([NH3+])C3)[C@@H](O)[C@@H]2O1 ZINC001235241411 806391150 /nfs/dbraw/zinc/39/11/50/806391150.db2.gz UFAFXRVSFIVBEW-YZDFOLFKSA-N 2 2 298.383 0.037 20 0 CCADLP CC1(C)O[C@@H]2O[C@@H](C[N@H+]3C[C@H]4CCC[C@@]4([NH3+])C3)[C@@H](O)[C@@H]2O1 ZINC001235241411 806391159 /nfs/dbraw/zinc/39/11/59/806391159.db2.gz UFAFXRVSFIVBEW-YZDFOLFKSA-N 2 2 298.383 0.037 20 0 CCADLP [NH3+]CC[N@@H+]1CCC2(C1)CCN(C(=O)c1cnccn1)CC2 ZINC001235485590 806431239 /nfs/dbraw/zinc/43/12/39/806431239.db2.gz KCFJNJDXVLWGGE-UHFFFAOYSA-N 2 2 289.383 0.363 20 0 CCADLP [NH3+]CC[N@H+]1CCC2(C1)CCN(C(=O)c1cnccn1)CC2 ZINC001235485590 806431242 /nfs/dbraw/zinc/43/12/42/806431242.db2.gz KCFJNJDXVLWGGE-UHFFFAOYSA-N 2 2 289.383 0.363 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001235544816 806451927 /nfs/dbraw/zinc/45/19/27/806451927.db2.gz JODLBTKOLVOKEF-SDDRHHMPSA-N 2 2 266.414 0.854 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001235544816 806451930 /nfs/dbraw/zinc/45/19/30/806451930.db2.gz JODLBTKOLVOKEF-SDDRHHMPSA-N 2 2 266.414 0.854 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+]1CC[C@H]2OCC[C@@H](C(=O)N(C)C)[C@@H]2C1 ZINC001235549906 806452856 /nfs/dbraw/zinc/45/28/56/806452856.db2.gz MRPUIOFHXCWLIH-FVCCEPFGSA-N 2 2 269.389 0.149 20 0 CCADLP C[C@@H]([NH3+])C[N@H+]1CC[C@H]2OCC[C@@H](C(=O)N(C)C)[C@@H]2C1 ZINC001235549906 806452858 /nfs/dbraw/zinc/45/28/58/806452858.db2.gz MRPUIOFHXCWLIH-FVCCEPFGSA-N 2 2 269.389 0.149 20 0 CCADLP [NH3+]CC[N@@H+]1CC[C@H]2[C@@H](CC(=O)N3CCCCC3)OC[C@H]2C1 ZINC001235555231 806455125 /nfs/dbraw/zinc/45/51/25/806455125.db2.gz QPKRCGQGNJSNCC-RBSFLKMASA-N 2 2 295.427 0.685 20 0 CCADLP [NH3+]CC[N@H+]1CC[C@H]2[C@@H](CC(=O)N3CCCCC3)OC[C@H]2C1 ZINC001235555231 806455126 /nfs/dbraw/zinc/45/51/26/806455126.db2.gz QPKRCGQGNJSNCC-RBSFLKMASA-N 2 2 295.427 0.685 20 0 CCADLP [NH3+]CC[NH+]1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1 ZINC001235590393 806467595 /nfs/dbraw/zinc/46/75/95/806467595.db2.gz UAZSHDUGNMSVLT-CQSZACIVSA-N 2 2 273.380 0.941 20 0 CCADLP CC(C)C(=O)N[C@H]1COCCC12CC[NH+](C[C@H](C)[NH3+])CC2 ZINC001235595014 806467607 /nfs/dbraw/zinc/46/76/07/806467607.db2.gz AXGJIWSABSJHPU-KBPBESRZSA-N 2 2 297.443 0.977 20 0 CCADLP C[C@@H]([NH3+])C[NH+]1CCC2(C[C@H](c3ccncc3)C(=O)N2)CC1 ZINC001235597264 806469451 /nfs/dbraw/zinc/46/94/51/806469451.db2.gz MQPYSXBBXOUHSO-TZMCWYRMSA-N 2 2 288.395 0.867 20 0 CCADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C[C@@H](C)[NH3+])C2 ZINC001235644700 806480833 /nfs/dbraw/zinc/48/08/33/806480833.db2.gz PTGQRJQQAXSIDF-GFCCVEGCSA-N 2 2 280.420 0.671 20 0 CCADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(C[C@@H](C)[NH3+])C2 ZINC001235644700 806480838 /nfs/dbraw/zinc/48/08/38/806480838.db2.gz PTGQRJQQAXSIDF-GFCCVEGCSA-N 2 2 280.420 0.671 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@H]2[C@@H]1CCN2CCn1cc[nH+]c1 ZINC001277960815 806488701 /nfs/dbraw/zinc/48/87/01/806488701.db2.gz MZBGIOUKVGIBSF-IHRRRGAJSA-N 2 2 264.373 0.413 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@H]2[C@@H]1CCN2CCn1cc[nH+]c1 ZINC001277960815 806488706 /nfs/dbraw/zinc/48/87/06/806488706.db2.gz MZBGIOUKVGIBSF-IHRRRGAJSA-N 2 2 264.373 0.413 20 0 CCADLP C[NH+](C)CC1CC[NH+](C[C@@H]2C[NH2+]C(C)(C)O2)CC1 ZINC001235679806 806490134 /nfs/dbraw/zinc/49/01/34/806490134.db2.gz OACQRAKGHIWJDA-ZDUSSCGKSA-N 3 2 255.406 0.985 20 0 CCADLP C[C@@H]([NH3+])CN1CC([NH+]2CCN(c3ccccn3)CC2)C1 ZINC001236037255 806532070 /nfs/dbraw/zinc/53/20/70/806532070.db2.gz FHUVAYLDOCOUDZ-CYBMUJFWSA-N 2 2 275.400 0.235 20 0 CCADLP CCOC(=O)[C@]12C[N@H+](C[C@H]3CC[NH2+]C3)C[C@H]1C[NH2+]CC2 ZINC001236039139 806534689 /nfs/dbraw/zinc/53/46/89/806534689.db2.gz WZDCKNGJNCPHBC-GZBFAFLISA-N 3 2 281.400 0.071 20 0 CCADLP CCOC(=O)[C@]12C[N@@H+](C[C@H]3CC[NH2+]C3)C[C@H]1C[NH2+]CC2 ZINC001236039139 806534693 /nfs/dbraw/zinc/53/46/93/806534693.db2.gz WZDCKNGJNCPHBC-GZBFAFLISA-N 3 2 281.400 0.071 20 0 CCADLP CC1(C)[NH2+]C[C@@H](CN2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)O1 ZINC001236077894 806543433 /nfs/dbraw/zinc/54/34/33/806543433.db2.gz DMBPMTSPQLMERZ-KBPBESRZSA-N 3 2 282.432 0.066 20 0 CCADLP COC(=O)[C@H]1CN(Cc2ccc3[nH+]ccn3c2)C[C@@H]1[NH3+] ZINC001236348218 806578966 /nfs/dbraw/zinc/57/89/66/806578966.db2.gz LWUUTVHVDGFUMJ-RYUDHWBXSA-N 2 2 274.324 0.266 20 0 CCADLP COc1cc(N2CCN(C[C@@H](C)[NH3+])CC2)cc[nH+]1 ZINC001236535420 806593238 /nfs/dbraw/zinc/59/32/38/806593238.db2.gz HKGXSQQYXOTPRB-LLVKDONJSA-N 2 2 250.346 0.559 20 0 CCADLP C[C@H]1C[NH2+]C[C@@H]1N[C@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246115522 807156418 /nfs/dbraw/zinc/15/64/18/807156418.db2.gz IRDSQHGANTXAPD-USZNOCQGSA-N 2 2 269.389 0.256 20 0 CCADLP COCC[NH2+]C[C@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001278016294 806612549 /nfs/dbraw/zinc/61/25/49/806612549.db2.gz SYOOPSOMFGTKGI-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP CN1C(=O)CC[C@H]2C[N@@H+](C[C@@H]3C[NH2+]C(C)(C)O3)CC[C@@H]21 ZINC001237065601 806635947 /nfs/dbraw/zinc/63/59/47/806635947.db2.gz WEDBFZLWSNQDPE-AVGNSLFASA-N 2 2 281.400 0.654 20 0 CCADLP CN1C(=O)CC[C@H]2C[N@H+](C[C@@H]3C[NH2+]C(C)(C)O3)CC[C@@H]21 ZINC001237065601 806635950 /nfs/dbraw/zinc/63/59/50/806635950.db2.gz WEDBFZLWSNQDPE-AVGNSLFASA-N 2 2 281.400 0.654 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)NCCn1cc[nH+]c1)C2 ZINC001120566446 798868003 /nfs/dbraw/zinc/86/80/03/798868003.db2.gz BMCPJOLSKLMFRX-SRVKXCTJSA-N 2 2 263.345 0.404 20 0 CCADLP CCOCC[C@@H](O)C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC001120573607 798871555 /nfs/dbraw/zinc/87/15/55/798871555.db2.gz RMUXUTHASGXIAN-CHWSQXEVSA-N 2 2 255.362 0.896 20 0 CCADLP C[C@@H]1CN(CC[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)[C@H](C)CO1 ZINC001120589780 798879377 /nfs/dbraw/zinc/87/93/77/798879377.db2.gz RRYIONMCKVTOIE-UMVBOHGHSA-N 2 2 285.432 0.140 20 0 CCADLP C[C@@H]1CN(CC[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)[C@H](C)CO1 ZINC001120589780 798879381 /nfs/dbraw/zinc/87/93/81/798879381.db2.gz RRYIONMCKVTOIE-UMVBOHGHSA-N 2 2 285.432 0.140 20 0 CCADLP C[C@@H]1C[N@@H+](CCCNC(=O)C[C@H]([NH3+])C(F)F)C[C@H](C)O1 ZINC001121904435 799089824 /nfs/dbraw/zinc/08/98/24/799089824.db2.gz BYJMCMHFXMNBHS-AXFHLTTASA-N 2 2 293.358 0.584 20 0 CCADLP C[C@@H]1C[N@H+](CCCNC(=O)C[C@H]([NH3+])C(F)F)C[C@H](C)O1 ZINC001121904435 799089830 /nfs/dbraw/zinc/08/98/30/799089830.db2.gz BYJMCMHFXMNBHS-AXFHLTTASA-N 2 2 293.358 0.584 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001121970523 799109996 /nfs/dbraw/zinc/10/99/96/799109996.db2.gz WWKAZGQRDFTJPY-AGIUHOORSA-N 2 2 262.357 0.587 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC001121993015 799115916 /nfs/dbraw/zinc/11/59/16/799115916.db2.gz OINYNXKHCHVPER-HOSYDEDBSA-N 2 2 250.346 0.845 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC001121993015 799115919 /nfs/dbraw/zinc/11/59/19/799115919.db2.gz OINYNXKHCHVPER-HOSYDEDBSA-N 2 2 250.346 0.845 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC001122174754 799161304 /nfs/dbraw/zinc/16/13/04/799161304.db2.gz UDCATAJXNJCWFA-YNEHKIRRSA-N 2 2 269.389 0.211 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)s1 ZINC001124878807 799643090 /nfs/dbraw/zinc/64/30/90/799643090.db2.gz OTRONAQGACTJLG-GXSJLCMTSA-N 2 2 297.428 0.708 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)s1 ZINC001124878807 799643091 /nfs/dbraw/zinc/64/30/91/799643091.db2.gz OTRONAQGACTJLG-GXSJLCMTSA-N 2 2 297.428 0.708 20 0 CCADLP CSc1ncc(C[N@H+](C)CCN2CC[NH+](C)CC2)cn1 ZINC001138709701 799748824 /nfs/dbraw/zinc/74/88/24/799748824.db2.gz NBSVNGTWUHAEHF-UHFFFAOYSA-N 2 2 295.456 0.878 20 0 CCADLP CSc1ncc(C[N@@H+](C)CCN2CC[NH+](C)CC2)cn1 ZINC001138709701 799748829 /nfs/dbraw/zinc/74/88/29/799748829.db2.gz NBSVNGTWUHAEHF-UHFFFAOYSA-N 2 2 295.456 0.878 20 0 CCADLP C[NH+]1CCN(C2C[NH+](Cc3cnc4[nH]ccc4c3)C2)CC1 ZINC001138740303 799749050 /nfs/dbraw/zinc/74/90/50/799749050.db2.gz TWZRBKJYJOECPM-UHFFFAOYSA-N 2 2 285.395 0.995 20 0 CCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H]3CO)s2)CC1 ZINC001139321346 799803208 /nfs/dbraw/zinc/80/32/08/799803208.db2.gz FMIMQKLNUWDTRR-GFCCVEGCSA-N 2 2 296.440 0.852 20 0 CCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H]3CO)s2)CC1 ZINC001139321346 799803214 /nfs/dbraw/zinc/80/32/14/799803214.db2.gz FMIMQKLNUWDTRR-GFCCVEGCSA-N 2 2 296.440 0.852 20 0 CCADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001203022472 799904586 /nfs/dbraw/zinc/90/45/86/799904586.db2.gz ZBJFPDYTDWQUSP-LBPRGKRZSA-N 2 2 263.341 0.931 20 0 CCADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001203022472 799904588 /nfs/dbraw/zinc/90/45/88/799904588.db2.gz ZBJFPDYTDWQUSP-LBPRGKRZSA-N 2 2 263.341 0.931 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]CC[C@H]1CCCO1 ZINC001149564846 800276925 /nfs/dbraw/zinc/27/69/25/800276925.db2.gz MBJUFCDQXPEOFF-CQSZACIVSA-N 2 2 294.399 0.628 20 0 CCADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246168902 807173789 /nfs/dbraw/zinc/17/37/89/807173789.db2.gz GILHWJVVHSXLCC-CYBMUJFWSA-N 3 2 254.422 0.402 20 0 CCADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246168902 807173792 /nfs/dbraw/zinc/17/37/92/807173792.db2.gz GILHWJVVHSXLCC-CYBMUJFWSA-N 3 2 254.422 0.402 20 0 CCADLP CC[N@@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150823936 800370163 /nfs/dbraw/zinc/37/01/63/800370163.db2.gz DDBJUGDRRRSVSU-LBPRGKRZSA-N 2 2 266.345 0.110 20 0 CCADLP CC[N@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150823936 800370167 /nfs/dbraw/zinc/37/01/67/800370167.db2.gz DDBJUGDRRRSVSU-LBPRGKRZSA-N 2 2 266.345 0.110 20 0 CCADLP CCOC(=O)CN(CC[NH3+])C(=O)c1c[nH]c2cc[nH+]cc21 ZINC001152982918 800576255 /nfs/dbraw/zinc/57/62/55/800576255.db2.gz IISANBFRJRYZQS-UHFFFAOYSA-N 2 2 290.323 0.527 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH2+]CCNC(=O)CCCn2cc[nH+]c2)O1 ZINC001153344723 800624867 /nfs/dbraw/zinc/62/48/67/800624867.db2.gz IYTUOIDRYKDZLO-KGLIPLIRSA-N 2 2 294.399 0.937 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CCCCCF ZINC001153495470 800635189 /nfs/dbraw/zinc/63/51/89/800635189.db2.gz KBJZDXZKWSSQGC-UHFFFAOYSA-N 2 2 256.325 0.729 20 0 CCADLP C[NH+]1CCC(CO)(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001154527442 800795074 /nfs/dbraw/zinc/79/50/74/800795074.db2.gz BUWRJQSCZYWPPR-UHFFFAOYSA-N 2 2 288.351 0.521 20 0 CCADLP Cc1nc(N[C@@H](C)CN2CC[NH2+]CC2)c2c([nH+]1)CCC2 ZINC001154752665 800839057 /nfs/dbraw/zinc/83/90/57/800839057.db2.gz SKXGIHIBMVSLQA-NSHDSACASA-N 2 2 275.400 0.979 20 0 CCADLP CC[N@H+](Cc1ccon1)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155000176 800888098 /nfs/dbraw/zinc/88/80/98/800888098.db2.gz XCEZFSPLFCGXII-GFCCVEGCSA-N 2 2 282.388 0.953 20 0 CCADLP CC[N@@H+](Cc1ccon1)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155000176 800888105 /nfs/dbraw/zinc/88/81/05/800888105.db2.gz XCEZFSPLFCGXII-GFCCVEGCSA-N 2 2 282.388 0.953 20 0 CCADLP CNC(=O)c1ccc(-n2c[nH+]cc2C2CC[NH2+]CC2)nn1 ZINC001155063882 800901687 /nfs/dbraw/zinc/90/16/87/800901687.db2.gz IEKHNYUGPFKPQX-UHFFFAOYSA-N 2 2 286.339 0.489 20 0 CCADLP Cn1nnc2c1ncnc2-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155064899 800903459 /nfs/dbraw/zinc/90/34/59/800903459.db2.gz WVHREGSVOKDCFT-UHFFFAOYSA-N 2 2 284.327 0.411 20 0 CCADLP CN(C)c1cc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)[nH+]cn1 ZINC001155514675 800996044 /nfs/dbraw/zinc/99/60/44/800996044.db2.gz JCIGTZBEUBYAEZ-IJLUTSLNSA-N 2 2 277.372 0.579 20 0 CCADLP CN(C)c1cc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)nc[nH+]1 ZINC001155514675 800996047 /nfs/dbraw/zinc/99/60/47/800996047.db2.gz JCIGTZBEUBYAEZ-IJLUTSLNSA-N 2 2 277.372 0.579 20 0 CCADLP COCC[NH+]1CCN(C(=O)c2cccc3c[nH+]cn32)CC1 ZINC001155790130 801050744 /nfs/dbraw/zinc/05/07/44/801050744.db2.gz UPGHPMFQALOBPA-UHFFFAOYSA-N 2 2 288.351 0.739 20 0 CCADLP O=C(OC1CCCC1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239334141 806886639 /nfs/dbraw/zinc/88/66/39/806886639.db2.gz CSUCFSMWCFOEQO-UHFFFAOYSA-N 2 2 284.404 0.150 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Nc2[nH+]ccc3[nH]ccc32)C[NH2+]1 ZINC001156240923 801137930 /nfs/dbraw/zinc/13/79/30/801137930.db2.gz ZYGXYZDXVCHPLX-KWQFWETISA-N 2 2 260.297 0.878 20 0 CCADLP C[NH2+][C@@H](CC(C)C)C(=O)NCCc1[nH+]ccn1C ZINC001157422730 801377565 /nfs/dbraw/zinc/37/75/65/801377565.db2.gz MEPXJKIIRILYQD-NSHDSACASA-N 2 2 252.362 0.713 20 0 CCADLP Nc1[nH]c2cc(C(=O)N3C[C@@H](F)[C@@H]([NH3+])C3)ccc2[nH+]1 ZINC001157564764 801421380 /nfs/dbraw/zinc/42/13/80/801421380.db2.gz RHDSKIBXNPLHSP-SFYZADRCSA-N 2 2 263.276 0.266 20 0 CCADLP O=C1CC(CNc2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC001157609379 801431569 /nfs/dbraw/zinc/43/15/69/801431569.db2.gz VDIOUDPNSSUZHG-UHFFFAOYSA-N 2 2 260.341 0.882 20 0 CCADLP CC1CC(N(C)C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C1 ZINC001157863006 801504544 /nfs/dbraw/zinc/50/45/44/801504544.db2.gz PBKALPXELZSLLV-CBINBANVSA-N 2 2 250.346 0.547 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cc(C(N)=O)c(Cl)cn2)CC1 ZINC001157914315 801519334 /nfs/dbraw/zinc/51/93/34/801519334.db2.gz BIRWWRDEOZJNFY-UHFFFAOYSA-N 2 2 296.762 0.428 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc3c(n2)NC(=O)CO3)CC1 ZINC001157915586 801520930 /nfs/dbraw/zinc/52/09/30/801520930.db2.gz SPPHUOSYSZAQFX-UHFFFAOYSA-N 2 2 290.327 0.007 20 0 CCADLP C[C@@]1(F)CCCCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001157915784 801521416 /nfs/dbraw/zinc/52/14/16/801521416.db2.gz WSMAOOUAFDXKCU-OXHZDVMGSA-N 2 2 269.364 0.949 20 0 CCADLP C[C@]1(F)CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C[C@@H]1F ZINC001157922799 801522195 /nfs/dbraw/zinc/52/21/95/801522195.db2.gz YMZYQMBCBXEALV-NHCYSSNCSA-N 2 2 272.299 0.578 20 0 CCADLP COC[C@@H]1CCCCN1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001157922367 801522653 /nfs/dbraw/zinc/52/26/53/801522653.db2.gz MHEIEYDQMUMUQC-NSHDSACASA-N 2 2 255.362 0.095 20 0 CCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@]1(CC)CCC[NH2+]C1 ZINC001157999894 801549967 /nfs/dbraw/zinc/54/99/67/801549967.db2.gz VEKDLQJGXCVELP-IUODEOHRSA-N 2 2 297.399 0.130 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)NCCC[NH2+]C[C@H](C)O)ccn12 ZINC001158062420 801561423 /nfs/dbraw/zinc/56/14/23/801561423.db2.gz WERDVLVRCIUWCA-LBPRGKRZSA-N 2 2 290.367 0.733 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2C[C@H]3c4ccccc4C(=O)[C@H]3C2)C1 ZINC001158179019 801584086 /nfs/dbraw/zinc/58/40/86/801584086.db2.gz IBGUUUOIHXPKKK-HYNSBDGHSA-N 2 2 285.347 0.114 20 0 CCADLP CCN(c1cc[nH+]c(N2CCOCC2)n1)[C@H]1CCC[NH2+]C1 ZINC001158205388 801592592 /nfs/dbraw/zinc/59/25/92/801592592.db2.gz PGGHQAQTAYULLH-ZDUSSCGKSA-N 2 2 291.399 0.892 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc(Cl)ncn1 ZINC001158204313 801593267 /nfs/dbraw/zinc/59/32/67/801593267.db2.gz WBHSLAFFNMKWKJ-SSDOTTSWSA-N 2 2 253.693 0.178 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nccc2scnc21 ZINC001158206603 801594141 /nfs/dbraw/zinc/59/41/41/801594141.db2.gz VUZQAUWWXDYJHU-MRVPVSSYSA-N 2 2 275.337 0.739 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3ccnc4ccnn43)CC2)C1 ZINC001158257689 801606264 /nfs/dbraw/zinc/60/62/64/801606264.db2.gz GLQXJMGQODBFDJ-GFCCVEGCSA-N 2 2 286.383 0.731 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](C2CCN(c3ccnc4ccnn43)CC2)C1 ZINC001158257689 801606267 /nfs/dbraw/zinc/60/62/67/801606267.db2.gz GLQXJMGQODBFDJ-GFCCVEGCSA-N 2 2 286.383 0.731 20 0 CCADLP [NH3+][C@H]1CC[N@@H+](C2CCN(c3ccnc4ccnn43)CC2)C1 ZINC001158257691 801607641 /nfs/dbraw/zinc/60/76/41/801607641.db2.gz GLQXJMGQODBFDJ-LBPRGKRZSA-N 2 2 286.383 0.731 20 0 CCADLP [NH3+][C@H]1CC[N@H+](C2CCN(c3ccnc4ccnn43)CC2)C1 ZINC001158257691 801607646 /nfs/dbraw/zinc/60/76/46/801607646.db2.gz GLQXJMGQODBFDJ-LBPRGKRZSA-N 2 2 286.383 0.731 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3ncc4c(n3)C[NH2+]C4)CC2)C1 ZINC001158259869 801608909 /nfs/dbraw/zinc/60/89/09/801608909.db2.gz AOPMKCPXSUEUNN-GFCCVEGCSA-N 3 2 288.399 0.082 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](C2CCN(c3ncc4c(n3)C[NH2+]C4)CC2)C1 ZINC001158259869 801608910 /nfs/dbraw/zinc/60/89/10/801608910.db2.gz AOPMKCPXSUEUNN-GFCCVEGCSA-N 3 2 288.399 0.082 20 0 CCADLP COc1cncc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158259953 801609241 /nfs/dbraw/zinc/60/92/41/801609241.db2.gz XSLZQWGYZQSIRV-NSHDSACASA-N 2 2 277.372 0.487 20 0 CCADLP COc1cncc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158259953 801609243 /nfs/dbraw/zinc/60/92/43/801609243.db2.gz XSLZQWGYZQSIRV-NSHDSACASA-N 2 2 277.372 0.487 20 0 CCADLP CN(C)c1cc(N2CC([N@H+](C)[C@H]3CCOC3)C2)nc[nH+]1 ZINC001158725210 801695497 /nfs/dbraw/zinc/69/54/97/801695497.db2.gz GHKBONGCFDAQBX-NSHDSACASA-N 2 2 277.372 0.452 20 0 CCADLP CN(C)c1cc(N2CC([N@@H+](C)[C@H]3CCOC3)C2)nc[nH+]1 ZINC001158725210 801695503 /nfs/dbraw/zinc/69/55/03/801695503.db2.gz GHKBONGCFDAQBX-NSHDSACASA-N 2 2 277.372 0.452 20 0 CCADLP Cc1c[nH+]c2n1CCC21CCN(C(=O)CNCC[NH3+])CC1 ZINC001159381820 801798862 /nfs/dbraw/zinc/79/88/62/801798862.db2.gz HPVAPZDYDQFIOL-UHFFFAOYSA-N 2 2 291.399 0.004 20 0 CCADLP Cc1nc(-n2cncn2)cc(N[C@@H](C)[C@H]2C[NH2+]CCO2)[nH+]1 ZINC001159503121 801827713 /nfs/dbraw/zinc/82/77/13/801827713.db2.gz TYPPULOWNLHHEX-GXSJLCMTSA-N 2 2 289.343 0.155 20 0 CCADLP CC[NH+](CC)C1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC1 ZINC001160483193 801949522 /nfs/dbraw/zinc/94/95/22/801949522.db2.gz QOSDCWUFVPSDQD-AEGPPILISA-N 3 2 294.443 0.269 20 0 CCADLP [NH3+]C1(C(=O)N2CC[NH+](CCc3ccncc3)CC2)CC1 ZINC001160489805 801950509 /nfs/dbraw/zinc/95/05/09/801950509.db2.gz FGLVCSXUJNZPCQ-UHFFFAOYSA-N 2 2 274.368 0.260 20 0 CCADLP COc1ccccc1CCN(C)C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001160596807 801979333 /nfs/dbraw/zinc/97/93/33/801979333.db2.gz NNOIGIRKDMCTNJ-OLZOCXBDSA-N 2 2 277.368 0.385 20 0 CCADLP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001160694127 802002762 /nfs/dbraw/zinc/00/27/62/802002762.db2.gz REAZQMPOJANLER-STQMWFEESA-N 3 2 293.415 0.962 20 0 CCADLP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001160692805 802003168 /nfs/dbraw/zinc/00/31/68/802003168.db2.gz DMDABSNVPOILAE-NEPJUHHUSA-N 3 2 279.388 0.572 20 0 CCADLP CN(C[C@@H]1CC1(C)C)C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160710981 802008030 /nfs/dbraw/zinc/00/80/30/802008030.db2.gz QJSMDIQRVRCTMN-MJVIPROJSA-N 2 2 251.374 0.442 20 0 CCADLP CN(CC1CCCCC1)C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160714263 802009270 /nfs/dbraw/zinc/00/92/70/802009270.db2.gz PDBYXCMTQJLHHP-DZGCQCFKSA-N 2 2 265.401 0.977 20 0 CCADLP CC(C)(C)OC(=O)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001161010593 802060983 /nfs/dbraw/zinc/06/09/83/802060983.db2.gz VOYRSORJUCTWFQ-WOPDTQHZSA-N 2 2 297.399 0.398 20 0 CCADLP CN(Cc1ccc(-n2cc[nH+]c2)cc1)C(=O)[C@@H]1C[NH2+]CCN1 ZINC001161030950 802070351 /nfs/dbraw/zinc/07/03/51/802070351.db2.gz NBJRYPFNCDTFLI-HNNXBMFYSA-N 2 2 299.378 0.392 20 0 CCADLP CN(C(=O)[C@@H]1C[NH2+]CC(F)(F)C1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161058318 802079141 /nfs/dbraw/zinc/07/91/41/802079141.db2.gz RKMLREFIJWPMHV-DCAQKATOSA-N 2 2 275.343 0.960 20 0 CCADLP Nc1ccc2c(c1)CN(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3[NH2+]1)CC2 ZINC001161075403 802083356 /nfs/dbraw/zinc/08/33/56/802083356.db2.gz AEQHIWLGIKSTSC-TUKIKUTGSA-N 2 2 286.379 0.103 20 0 CCADLP COCC[NH2+]CCCNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001161325182 802126353 /nfs/dbraw/zinc/12/63/53/802126353.db2.gz ZTHPUJXXFSWCDA-GFCCVEGCSA-N 2 2 294.399 0.565 20 0 CCADLP COCC[NH2+]CCCNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001161325182 802126356 /nfs/dbraw/zinc/12/63/56/802126356.db2.gz ZTHPUJXXFSWCDA-GFCCVEGCSA-N 2 2 294.399 0.565 20 0 CCADLP CCN(C(=O)[C@]1(C)CC(F)(F)C[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001161333463 802131401 /nfs/dbraw/zinc/13/14/01/802131401.db2.gz UZPMWCGVEBBUNB-PWSUYJOCSA-N 2 2 275.343 0.974 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC001161417439 802151580 /nfs/dbraw/zinc/15/15/80/802151580.db2.gz VAYLWFWPTLNSJL-XQLPTFJDSA-N 3 2 288.395 0.454 20 0 CCADLP C[C@H]([NH3+])c1ncc(C(=O)N2CC[N@@H+]3CC[C@@H]3C2)s1 ZINC001161423494 802152562 /nfs/dbraw/zinc/15/25/62/802152562.db2.gz BYQUTEHCJDANFA-DTWKUNHWSA-N 2 2 266.370 0.693 20 0 CCADLP C[C@H]([NH3+])c1ncc(C(=O)N2CC[N@H+]3CC[C@@H]3C2)s1 ZINC001161423494 802152566 /nfs/dbraw/zinc/15/25/66/802152566.db2.gz BYQUTEHCJDANFA-DTWKUNHWSA-N 2 2 266.370 0.693 20 0 CCADLP C[N@H+](C1CN(C(=O)[C@@H]([NH3+])c2ccccc2)C1)[C@H]1CCOC1 ZINC001161499463 802165469 /nfs/dbraw/zinc/16/54/69/802165469.db2.gz OLXUDOKZXYMZRE-ZFWWWQNUSA-N 2 2 289.379 0.618 20 0 CCADLP C[N@@H+](C1CN(C(=O)[C@@H]([NH3+])c2ccccc2)C1)[C@H]1CCOC1 ZINC001161499463 802165472 /nfs/dbraw/zinc/16/54/72/802165472.db2.gz OLXUDOKZXYMZRE-ZFWWWQNUSA-N 2 2 289.379 0.618 20 0 CCADLP CO[C@@H]1CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)[C@H](C)C1 ZINC001161534168 802172112 /nfs/dbraw/zinc/17/21/12/802172112.db2.gz GYEXUTOYFBVSHM-SKENRDBWSA-N 2 2 267.373 0.234 20 0 CCADLP CO[C@@H]1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001161534206 802172560 /nfs/dbraw/zinc/17/25/60/802172560.db2.gz HYVFAZFRALIDFC-JLLWLGSASA-N 2 2 266.345 0.305 20 0 CCADLP CO[C@@H]1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001161534579 802172918 /nfs/dbraw/zinc/17/29/18/802172918.db2.gz OPSAYPMXOKYDKE-RTXFEEFZSA-N 2 2 280.372 0.316 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC1=CC[N@H+](CCO)CC1 ZINC001161786040 802224604 /nfs/dbraw/zinc/22/46/04/802224604.db2.gz ZIAGOLMLQSLGEO-UHFFFAOYSA-N 2 2 292.383 0.391 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC1=CC[N@@H+](CCO)CC1 ZINC001161786040 802224613 /nfs/dbraw/zinc/22/46/13/802224613.db2.gz ZIAGOLMLQSLGEO-UHFFFAOYSA-N 2 2 292.383 0.391 20 0 CCADLP C[NH+]1CCN(c2nccnc2C2=CCC[N@H+](C)C2)CC1 ZINC001241567773 806971562 /nfs/dbraw/zinc/97/15/62/806971562.db2.gz IQPNEYOEAYQDIX-UHFFFAOYSA-N 2 2 273.384 0.947 20 0 CCADLP C[NH+]1CCN(c2nccnc2C2=CCC[N@@H+](C)C2)CC1 ZINC001241567773 806971564 /nfs/dbraw/zinc/97/15/64/806971564.db2.gz IQPNEYOEAYQDIX-UHFFFAOYSA-N 2 2 273.384 0.947 20 0 CCADLP CS(=O)(=O)N(CC[NH3+])c1ccc2[nH]c[nH+]c2c1 ZINC001162130716 802281211 /nfs/dbraw/zinc/28/12/11/802281211.db2.gz FHGNONJUGAEIJP-UHFFFAOYSA-N 2 2 254.315 0.288 20 0 CCADLP COCC[NH2+]CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001162427178 802339078 /nfs/dbraw/zinc/33/90/78/802339078.db2.gz CQIQDBMNSKHCQQ-UHFFFAOYSA-N 2 2 276.340 0.690 20 0 CCADLP Cc1cc2c[nH+]c(NC[C@@H]3C[N@H+](C)CCO3)nc2[nH]1 ZINC001162680672 802387445 /nfs/dbraw/zinc/38/74/45/802387445.db2.gz PJSXPVZONGWVAT-LLVKDONJSA-N 2 2 261.329 0.960 20 0 CCADLP Cc1cc2c[nH+]c(NC[C@@H]3C[N@@H+](C)CCO3)nc2[nH]1 ZINC001162680672 802387454 /nfs/dbraw/zinc/38/74/54/802387454.db2.gz PJSXPVZONGWVAT-LLVKDONJSA-N 2 2 261.329 0.960 20 0 CCADLP C1=C[C@H](Nc2ccc(Cn3cncn3)c[nH+]2)[C@H]2C[NH2+]C[C@H]12 ZINC001162798801 802420913 /nfs/dbraw/zinc/42/09/13/802420913.db2.gz VKSFRBWLJPLAHV-IHRRRGAJSA-N 2 2 282.351 0.907 20 0 CCADLP C(C[NH+]1CCOCC1)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC001255285619 808341586 /nfs/dbraw/zinc/34/15/86/808341586.db2.gz JDLAHQHHZNOPDO-CQSZACIVSA-N 2 2 285.457 0.442 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1ncnc2c1CC[NH2+]C2 ZINC001162850058 802429120 /nfs/dbraw/zinc/42/91/20/802429120.db2.gz SFDPBHWYENRKEM-JTQLQIEISA-N 2 2 293.371 0.203 20 0 CCADLP CC1(C)C(=O)NC[C@@H]1Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001163012673 802456966 /nfs/dbraw/zinc/45/69/66/802456966.db2.gz YWUQUSGYXKPHRK-LBPRGKRZSA-N 2 2 289.383 0.428 20 0 CCADLP CN(C)c1ccc(NC[C@]23C[NH2+]C[C@H]2COC3)[nH+]c1 ZINC001163154905 802496943 /nfs/dbraw/zinc/49/69/43/802496943.db2.gz SOEOGNIMCJTSEB-FZMZJTMJSA-N 2 2 262.357 0.796 20 0 CCADLP Cc1cc(C[NH2+]CCCNC(=O)CCn2cc[nH+]c2)no1 ZINC001163588969 802573214 /nfs/dbraw/zinc/57/32/14/802573214.db2.gz RPZAUBBWAZGRSQ-UHFFFAOYSA-N 2 2 291.355 0.866 20 0 CCADLP COc1cnnc(NCC2([NH+](C)C)CC[NH+](C)CC2)c1 ZINC001164206786 802687049 /nfs/dbraw/zinc/68/70/49/802687049.db2.gz CSFSPOXSZGHEPL-UHFFFAOYSA-N 2 2 279.388 0.923 20 0 CCADLP Cn1cc(NCC2([NH+](C)C)CC[NH+](C)CC2)ncc1=O ZINC001164212005 802688238 /nfs/dbraw/zinc/68/82/38/802688238.db2.gz VFNOOKWMKQJEAJ-UHFFFAOYSA-N 2 2 279.388 0.218 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Nc2ccc3c(n2)C[NH2+]CC3)C[NH2+]1 ZINC001164305789 802715737 /nfs/dbraw/zinc/71/57/37/802715737.db2.gz AZKLIQFPBCXHDJ-QWRGUYRKSA-N 2 2 276.340 0.043 20 0 CCADLP CN(C)c1cc(N2CCC(F)(F)[C@H]([NH3+])C2)nc[nH+]1 ZINC001164317214 802721172 /nfs/dbraw/zinc/72/11/72/802721172.db2.gz PCIMFCGJTWBENX-MRVPVSSYSA-N 2 2 257.288 0.715 20 0 CCADLP Cc1[nH+]c2c(n1-c1cncc(N(C)C)n1)CC[NH2+]CC2 ZINC001165351294 802825974 /nfs/dbraw/zinc/82/59/74/802825974.db2.gz BBOFXPDGWYPTQE-UHFFFAOYSA-N 2 2 272.356 0.725 20 0 CCADLP CC(C)[NH+]1CC([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001276440557 803063575 /nfs/dbraw/zinc/06/35/75/803063575.db2.gz YRJXUUWEMCQVDQ-SNVBAGLBSA-N 2 2 250.346 0.797 20 0 CCADLP CCn1ccnc1C[N@H+]1C[C@H]2C[C@@H](C1)N2CC[NH+](C)C ZINC001276463521 803084208 /nfs/dbraw/zinc/08/42/08/803084208.db2.gz ROSILPJLGRELCL-OKILXGFUSA-N 2 2 277.416 0.723 20 0 CCADLP CCn1ccnc1C[N@@H+]1C[C@H]2C[C@@H](C1)N2CC[NH+](C)C ZINC001276463521 803084212 /nfs/dbraw/zinc/08/42/12/803084212.db2.gz ROSILPJLGRELCL-OKILXGFUSA-N 2 2 277.416 0.723 20 0 CCADLP CCOC(=O)c1nc[nH]c1C[NH+]1CCC(C[NH3+])CC1 ZINC001205046632 803116879 /nfs/dbraw/zinc/11/68/79/803116879.db2.gz GKIQLOYFARSDPV-UHFFFAOYSA-N 2 2 266.345 0.757 20 0 CCADLP COC(=O)COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001205952862 803190901 /nfs/dbraw/zinc/19/09/01/803190901.db2.gz CPXCPUAPGRVWRN-ZIAGYGMSSA-N 2 2 294.351 0.132 20 0 CCADLP COC(=O)COc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001205952862 803190907 /nfs/dbraw/zinc/19/09/07/803190907.db2.gz CPXCPUAPGRVWRN-ZIAGYGMSSA-N 2 2 294.351 0.132 20 0 CCADLP CCOC(=O)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001205960113 803192261 /nfs/dbraw/zinc/19/22/61/803192261.db2.gz ZTBBFFXGTOINCJ-ZIAGYGMSSA-N 2 2 278.352 0.757 20 0 CCADLP CCOC(=O)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001205960113 803192264 /nfs/dbraw/zinc/19/22/64/803192264.db2.gz ZTBBFFXGTOINCJ-ZIAGYGMSSA-N 2 2 278.352 0.757 20 0 CCADLP COc1cc(C)cc(OC)c1C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206475209 803249910 /nfs/dbraw/zinc/24/99/10/803249910.db2.gz KXXSMHTVEMGYPK-WCQYABFASA-N 2 2 280.368 0.764 20 0 CCADLP COc1cc(C)cc(OC)c1C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206475209 803249915 /nfs/dbraw/zinc/24/99/15/803249915.db2.gz KXXSMHTVEMGYPK-WCQYABFASA-N 2 2 280.368 0.764 20 0 CCADLP CCOc1ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(C)n1 ZINC001206531006 803261201 /nfs/dbraw/zinc/26/12/01/803261201.db2.gz ZMWUIOJEYREVEE-STQMWFEESA-N 2 2 265.357 0.540 20 0 CCADLP CCOc1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(C)n1 ZINC001206531006 803261204 /nfs/dbraw/zinc/26/12/04/803261204.db2.gz ZMWUIOJEYREVEE-STQMWFEESA-N 2 2 265.357 0.540 20 0 CCADLP COCCOCN1C[C@H]2C[C@@H](C1)[N@H+]2C[C@@H]1CCC[NH+](C)C1 ZINC001276496754 803289988 /nfs/dbraw/zinc/28/99/88/803289988.db2.gz LEJRNBAGWWHVJC-OAGGEKHMSA-N 2 2 297.443 0.707 20 0 CCADLP COCCOCN1C[C@H]2C[C@@H](C1)[N@@H+]2C[C@@H]1CCC[NH+](C)C1 ZINC001276496754 803289993 /nfs/dbraw/zinc/28/99/93/803289993.db2.gz LEJRNBAGWWHVJC-OAGGEKHMSA-N 2 2 297.443 0.707 20 0 CCADLP COCCOCN1C[C@H]2C[C@@H](C1)[NH+]2C[C@@H]1CCC[N@H+](C)C1 ZINC001276496754 803289998 /nfs/dbraw/zinc/28/99/98/803289998.db2.gz LEJRNBAGWWHVJC-OAGGEKHMSA-N 2 2 297.443 0.707 20 0 CCADLP COCCOCN1C[C@H]2C[C@@H](C1)[NH+]2C[C@@H]1CCC[N@@H+](C)C1 ZINC001276496754 803290003 /nfs/dbraw/zinc/29/00/03/803290003.db2.gz LEJRNBAGWWHVJC-OAGGEKHMSA-N 2 2 297.443 0.707 20 0 CCADLP C(C1CC[NH2+]CC1)[N@@H+]1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001207441389 803400858 /nfs/dbraw/zinc/40/08/58/803400858.db2.gz ABWJCGJTINAXOY-OAHLLOKOSA-N 3 2 267.417 0.783 20 0 CCADLP C(C1CC[NH2+]CC1)[N@H+]1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001207441389 803400862 /nfs/dbraw/zinc/40/08/62/803400862.db2.gz ABWJCGJTINAXOY-OAHLLOKOSA-N 3 2 267.417 0.783 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001208849138 803549150 /nfs/dbraw/zinc/54/91/50/803549150.db2.gz QVLRNZIOOFQIRS-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP C[NH+]1CCN(C2C[NH+](C[C@H]3CCC=CO3)C2)CC1 ZINC001208886709 803552444 /nfs/dbraw/zinc/55/24/44/803552444.db2.gz YFCVPIICZZRIAW-CQSZACIVSA-N 2 2 251.374 0.611 20 0 CCADLP CCOC(C)(C)C[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001209075127 803572908 /nfs/dbraw/zinc/57/29/08/803572908.db2.gz ORTRAZCVSIKWJF-UHFFFAOYSA-N 2 2 299.459 0.751 20 0 CCADLP C[C@@H]1C[C@H]1C[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001209422409 803603450 /nfs/dbraw/zinc/60/34/50/803603450.db2.gz YKRQUFQVMGJTDI-CABCVRRESA-N 2 2 267.417 0.592 20 0 CCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1ccc(N)nc1 ZINC001276654018 803615353 /nfs/dbraw/zinc/61/53/53/803615353.db2.gz ASIIYBJDQOCLDC-OKILXGFUSA-N 2 2 275.400 0.484 20 0 CCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1ccc(N)nc1 ZINC001276654018 803615355 /nfs/dbraw/zinc/61/53/55/803615355.db2.gz ASIIYBJDQOCLDC-OKILXGFUSA-N 2 2 275.400 0.484 20 0 CCADLP CCOCC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001210667529 803656925 /nfs/dbraw/zinc/65/69/25/803656925.db2.gz GZANHQSOFMWDDH-CYBMUJFWSA-N 2 2 294.399 0.580 20 0 CCADLP Cn1cc[nH+]c1CCNC(=O)C1CCC(C[NH3+])CC1 ZINC000093425521 814956486 /nfs/dbraw/zinc/95/64/86/814956486.db2.gz MHSFQVYNXZZCSU-UHFFFAOYSA-N 2 2 264.373 0.844 20 0 CCADLP C[N@@H+]1CCO[C@@]2(CCCN(Cc3c[nH+]ccc3N)C2)C1 ZINC001276713909 803757329 /nfs/dbraw/zinc/75/73/29/803757329.db2.gz UQFFIAJYUMSONV-HNNXBMFYSA-N 2 2 276.384 0.791 20 0 CCADLP CN1CCO[C@@]2(CCC[N@H+](Cc3c[nH+]ccc3N)C2)C1 ZINC001276713909 803757339 /nfs/dbraw/zinc/75/73/39/803757339.db2.gz UQFFIAJYUMSONV-HNNXBMFYSA-N 2 2 276.384 0.791 20 0 CCADLP CN1CCO[C@@]2(CCC[N@@H+](Cc3c[nH+]ccc3N)C2)C1 ZINC001276713909 803757345 /nfs/dbraw/zinc/75/73/45/803757345.db2.gz UQFFIAJYUMSONV-HNNXBMFYSA-N 2 2 276.384 0.791 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001214814230 803759919 /nfs/dbraw/zinc/75/99/19/803759919.db2.gz MAVDFVIVHOMEIF-YRGRVCCFSA-N 2 2 294.399 0.814 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001214814230 803759924 /nfs/dbraw/zinc/75/99/24/803759924.db2.gz MAVDFVIVHOMEIF-YRGRVCCFSA-N 2 2 294.399 0.814 20 0 CCADLP C[C@@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)[C@H]1CC[NH3+] ZINC000404302922 803849811 /nfs/dbraw/zinc/84/98/11/803849811.db2.gz QKDVFGNWKSTEAR-KFWWJZLASA-N 3 2 269.433 0.892 20 0 CCADLP C[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)[C@H]1CC[NH3+] ZINC000404302922 803849820 /nfs/dbraw/zinc/84/98/20/803849820.db2.gz QKDVFGNWKSTEAR-KFWWJZLASA-N 3 2 269.433 0.892 20 0 CCADLP CCO[C@@H]1C[N@H+](C[C@@H](O)C(F)(F)F)C[C@H]1C[NH3+] ZINC000405462115 803885742 /nfs/dbraw/zinc/88/57/42/803885742.db2.gz RIBOMWYUEHMVDG-IWSPIJDZSA-N 2 2 256.268 0.205 20 0 CCADLP CCO[C@@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)C[C@H]1C[NH3+] ZINC000405462115 803885753 /nfs/dbraw/zinc/88/57/53/803885753.db2.gz RIBOMWYUEHMVDG-IWSPIJDZSA-N 2 2 256.268 0.205 20 0 CCADLP Cc1nc(C)c(C[NH+]2CC3(CN(CC[NH+](C)C)C3)C2)o1 ZINC001276755666 803890898 /nfs/dbraw/zinc/89/08/98/803890898.db2.gz SYEDXFBUAAREIS-UHFFFAOYSA-N 2 2 278.400 0.971 20 0 CCADLP C[C@@H]1C[NH+](CCc2nnc([C@@H]3C=CC[NH2+]3)o2)C[C@@H](C)O1 ZINC001217718414 803904613 /nfs/dbraw/zinc/90/46/13/803904613.db2.gz WISCFAYXLXFFRG-UTUOFQBUSA-N 2 2 278.356 0.922 20 0 CCADLP [NH3+][C@H](CN1CCC([NH3+])CC1)c1nnc(C2CC2)o1 ZINC001217757719 803912625 /nfs/dbraw/zinc/91/26/25/803912625.db2.gz RNIGIIAQXNOSDK-SNVBAGLBSA-N 2 2 251.334 0.370 20 0 CCADLP O=C(Nc1cccc2[nH+]ccn21)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001218495947 803962976 /nfs/dbraw/zinc/96/29/76/803962976.db2.gz AYIRLJKUXQHLGB-IINYFYTJSA-N 2 2 271.324 0.224 20 0 CCADLP C[S@@](=O)CC[C@H]([NH3+])C(=O)Nc1cccc2[nH+]ccn21 ZINC001218498628 803964146 /nfs/dbraw/zinc/96/41/46/803964146.db2.gz GADXXKMNBRWOSB-ZRNGKTOUSA-N 2 2 280.353 0.369 20 0 CCADLP Cn1ccnc1NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001218498303 803964767 /nfs/dbraw/zinc/96/47/67/803964767.db2.gz TVWCLWJEMSTTAT-NSHDSACASA-N 2 2 259.313 0.631 20 0 CCADLP COc1ccnc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)c1 ZINC001218528222 803988985 /nfs/dbraw/zinc/98/89/85/803988985.db2.gz OKMGVWLCPFQUEY-JTQLQIEISA-N 2 2 261.285 0.322 20 0 CCADLP Cc1ncc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)cn1 ZINC001218572847 804014824 /nfs/dbraw/zinc/01/48/24/804014824.db2.gz AJQIFWSRDNXQFS-NSHDSACASA-N 2 2 260.301 0.027 20 0 CCADLP CSc1nc(NC(=O)C[NH2+]C2CC[NH2+]CC2)cc(=O)[nH]1 ZINC001218584106 804020922 /nfs/dbraw/zinc/02/09/22/804020922.db2.gz NOFZACDLMOXYJO-UHFFFAOYSA-N 2 2 297.384 0.184 20 0 CCADLP COC(=O)c1ccnc(Cl)c1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218593153 804025847 /nfs/dbraw/zinc/02/58/47/804025847.db2.gz PFPTZRZTWDYOQL-ZETCQYMHSA-N 2 2 286.719 0.136 20 0 CCADLP Nc1cc[nH+]c(-c2cc(NC(=O)[C@H]3[NH2+]CC[C@@H]3O)ccn2)c1 ZINC001218612849 804034144 /nfs/dbraw/zinc/03/41/44/804034144.db2.gz HXPPBKFXKHZNHD-KBPBESRZSA-N 2 2 299.334 0.387 20 0 CCADLP COC(=O)c1scnc1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218624816 804040018 /nfs/dbraw/zinc/04/00/18/804040018.db2.gz OUFSDHXORLDAHO-SSDOTTSWSA-N 2 2 295.324 0.161 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1cc(Cl)c[nH]c1=O ZINC001218641610 804056364 /nfs/dbraw/zinc/05/63/64/804056364.db2.gz GSZNJVUEOSDEFD-VIFPVBQESA-N 2 2 295.730 0.683 20 0 CCADLP [NH3+]C1(C(=O)Nc2noc3cnccc32)CC[NH2+]CC1 ZINC001218647344 804059434 /nfs/dbraw/zinc/05/94/34/804059434.db2.gz ZANURJIMINIYTD-UHFFFAOYSA-N 2 2 261.285 0.242 20 0 CCADLP [NH3+]C1(C(=O)Nc2nsc3ncccc23)CC[NH2+]CC1 ZINC001218652465 804062454 /nfs/dbraw/zinc/06/24/54/804062454.db2.gz YEFLAJGFFVYLAN-UHFFFAOYSA-N 2 2 277.353 0.711 20 0 CCADLP Cc1cc(NC(=O)[C@@H]([NH3+])CC[NH3+])n(-c2ccccc2F)n1 ZINC001218660177 804070428 /nfs/dbraw/zinc/07/04/28/804070428.db2.gz UWKTUHOKQAUVEZ-NSHDSACASA-N 2 2 291.330 0.934 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1cc(Cl)[nH]c(=O)c1 ZINC001218694504 804084417 /nfs/dbraw/zinc/08/44/17/804084417.db2.gz SXIZJGXPGZPBPV-VIFPVBQESA-N 2 2 295.730 0.683 20 0 CCADLP Cc1nnc2cc(NC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)ccn12 ZINC001218700404 804084809 /nfs/dbraw/zinc/08/48/09/804084809.db2.gz YMQMKKWYGRPQNV-NSHDSACASA-N 2 2 285.311 0.269 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1nc(F)c(F)c(Cl)c1F ZINC001218753042 804111172 /nfs/dbraw/zinc/11/11/72/804111172.db2.gz DUMIAWSJQSWVIB-VKHMYHEASA-N 2 2 282.653 0.767 20 0 CCADLP [NH3+]C1(C(=O)Nc2cncnc2C(F)(F)F)CC[NH2+]CC1 ZINC001218762695 804114859 /nfs/dbraw/zinc/11/48/59/804114859.db2.gz CIMKFHWIVATRJG-UHFFFAOYSA-N 2 2 289.261 0.515 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1ccc(F)c(O)c1 ZINC001218878722 804145741 /nfs/dbraw/zinc/14/57/41/804145741.db2.gz VKRWZHWGSSTISI-UHFFFAOYSA-N 2 2 267.304 0.811 20 0 CCADLP COC(=O)c1c(O)cccc1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218987614 804174625 /nfs/dbraw/zinc/17/46/25/804174625.db2.gz KSAFFVOIKNFZLT-UHFFFAOYSA-N 2 2 293.323 0.198 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(CO)cc1 ZINC001219049020 804186082 /nfs/dbraw/zinc/18/60/82/804186082.db2.gz TXMFBDWXEZALSJ-GFCCVEGCSA-N 2 2 260.297 0.411 20 0 CCADLP COc1ccc(N)c(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)c1 ZINC001219142465 804215545 /nfs/dbraw/zinc/21/55/45/804215545.db2.gz QGVGNCWISVLQGX-LLVKDONJSA-N 2 2 275.312 0.509 20 0 CCADLP Nc1ccc2c(c1)CCCN2C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001219266581 804253790 /nfs/dbraw/zinc/25/37/90/804253790.db2.gz NYBADJNGNVPXOW-RYUDHWBXSA-N 2 2 260.341 0.095 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc2c1CC(=O)NC2 ZINC001219369847 804290325 /nfs/dbraw/zinc/29/03/25/804290325.db2.gz RNDROXVUKHZBKM-GFCCVEGCSA-N 2 2 299.334 0.091 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccc(C(=O)C3CC3)cc2)C1 ZINC001219405106 804300611 /nfs/dbraw/zinc/30/06/11/804300611.db2.gz QUGCVXNAZLAXEL-YPMHNXCESA-N 2 2 273.336 0.907 20 0 CCADLP COc1c(O)cccc1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001219516629 804334986 /nfs/dbraw/zinc/33/49/86/804334986.db2.gz ZUGRFBIGWKYJKC-SECBINFHSA-N 2 2 276.296 0.632 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC001219553596 804343602 /nfs/dbraw/zinc/34/36/02/804343602.db2.gz BVYSYCYJHDDLTK-VIFPVBQESA-N 2 2 261.247 0.937 20 0 CCADLP Cc1ncc(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)s1 ZINC001219595537 804364877 /nfs/dbraw/zinc/36/48/77/804364877.db2.gz DYSLSNVKJNUADZ-JTQLQIEISA-N 2 2 265.342 0.361 20 0 CCADLP O=C(N[C@@H]1CCCC[C@H]1F)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219671812 804400802 /nfs/dbraw/zinc/40/08/02/804400802.db2.gz QQPBQSSEKBHOMX-MTVMDMGHSA-N 2 2 255.337 0.333 20 0 CCADLP C[C@@H]1CCCC[C@H]1CNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001219673204 804401692 /nfs/dbraw/zinc/40/16/92/804401692.db2.gz FYZHAHCFSQJVKX-VNHYZAJKSA-N 2 2 296.459 0.679 20 0 CCADLP C[C@H]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219673359 804401809 /nfs/dbraw/zinc/40/18/09/804401809.db2.gz HQUSDHJQYCCGNJ-ZUWCUPBKSA-N 2 2 265.401 0.879 20 0 CCADLP Cc1ccn2c(CNC(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)cnc2c1 ZINC001219709411 804410897 /nfs/dbraw/zinc/41/08/97/804410897.db2.gz FTEAUJAGJQFXGW-IOASZLSFSA-N 2 2 299.378 0.481 20 0 CCADLP [NH3+]C1(C(=O)NCc2ccc3c(c2)CC[NH2+]C3)CC[NH2+]CC1 ZINC001219706241 804410999 /nfs/dbraw/zinc/41/09/99/804410999.db2.gz YTNREMJEWBOVFL-UHFFFAOYSA-N 3 2 288.395 0.029 20 0 CCADLP O=C(NC[C@@H]1Cc2ccccc2O1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219925083 804450131 /nfs/dbraw/zinc/45/01/31/804450131.db2.gz FKAFOHIOBCVRGS-WWGRRREGSA-N 2 2 287.363 0.058 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NC[C@H]2CCCCO2)cc1 ZINC001219978016 804462732 /nfs/dbraw/zinc/46/27/32/804462732.db2.gz ABVNMULMWIBEII-KGLIPLIRSA-N 2 2 277.368 0.944 20 0 CCADLP CC(C)[C@](C)(NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)C(N)=O ZINC001220022303 804474566 /nfs/dbraw/zinc/47/45/66/804474566.db2.gz FMFUGMAUAFNOPL-DOMZBBRYSA-N 2 2 292.383 0.275 20 0 CCADLP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220061972 804490613 /nfs/dbraw/zinc/49/06/13/804490613.db2.gz HVVFVDJFKDNEFS-KQTLUZQSSA-N 3 2 294.443 0.589 20 0 CCADLP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220062101 804490570 /nfs/dbraw/zinc/49/05/70/804490570.db2.gz MBQLLJFZDYQUIR-OCCSQVGLSA-N 3 2 293.415 0.660 20 0 CCADLP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220062101 804490573 /nfs/dbraw/zinc/49/05/73/804490573.db2.gz MBQLLJFZDYQUIR-OCCSQVGLSA-N 3 2 293.415 0.660 20 0 CCADLP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220061972 804490616 /nfs/dbraw/zinc/49/06/16/804490616.db2.gz HVVFVDJFKDNEFS-KQTLUZQSSA-N 3 2 294.443 0.589 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CCC[C@@H]2O)cc1 ZINC001220099571 804499421 /nfs/dbraw/zinc/49/94/21/804499421.db2.gz SHWMRLJSENKQNC-XQQFMLRXSA-N 2 2 263.341 0.288 20 0 CCADLP CCC1(CNC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)COC1 ZINC001220170610 804525677 /nfs/dbraw/zinc/52/56/77/804525677.db2.gz PVRXKLMYAATSEX-CYBMUJFWSA-N 2 2 277.368 0.802 20 0 CCADLP NC(=[NH2+])NCCCCC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC001220189603 804532543 /nfs/dbraw/zinc/53/25/43/804532543.db2.gz SOUDJLRAAXJUSP-VIFPVBQESA-N 2 2 291.346 0.001 20 0 CCADLP Cc1ccc([C@@H](C)NC(=O)C2([NH3+])CC[NH2+]CC2)nc1 ZINC001220266093 804555261 /nfs/dbraw/zinc/55/52/61/804555261.db2.gz HQURTHRVPVYOMN-LLVKDONJSA-N 2 2 262.357 0.648 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)C1CC[NH2+]CC1 ZINC001220274530 804558991 /nfs/dbraw/zinc/55/89/91/804558991.db2.gz GRTYCMFHFIDWGL-UHFFFAOYSA-N 2 2 266.345 0.145 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)CC1CC[NH2+]CC1 ZINC001220274910 804559010 /nfs/dbraw/zinc/55/90/10/804559010.db2.gz RLTVNJOQALOYFM-UHFFFAOYSA-N 2 2 280.372 0.535 20 0 CCADLP Cc1cccn2cc(CNC(=O)C3([NH3+])CC[NH2+]CC3)nc12 ZINC001220278442 804559609 /nfs/dbraw/zinc/55/96/09/804559609.db2.gz SUZCHNIWHAFKRY-UHFFFAOYSA-N 2 2 287.367 0.340 20 0 CCADLP COC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220300952 804565851 /nfs/dbraw/zinc/56/58/51/804565851.db2.gz GWCUSTIKGCPCDT-AGIUHOORSA-N 2 2 297.399 0.304 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NCc2cc[nH]c2)cc1 ZINC001220388390 804592738 /nfs/dbraw/zinc/59/27/38/804592738.db2.gz SWALAZJFMRRIGR-CYBMUJFWSA-N 2 2 258.325 0.903 20 0 CCADLP CO[C@@H](C)CNC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220392572 804593941 /nfs/dbraw/zinc/59/39/41/804593941.db2.gz HEOSXDYPPVNZPD-CABZTGNLSA-N 2 2 251.330 0.410 20 0 CCADLP Cn1nc(CNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)c2ccccc21 ZINC001220632088 804639547 /nfs/dbraw/zinc/63/95/47/804639547.db2.gz KLMWGFSDXNKKCS-BDJLRTHQSA-N 2 2 299.378 0.141 20 0 CCADLP CCOC(=O)[C@H](NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)[C@@H](C)CC ZINC001220665628 804645403 /nfs/dbraw/zinc/64/54/03/804645403.db2.gz GXFDTYCYEIFVOJ-SJXJDRKQSA-N 2 2 297.399 0.302 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001220679418 804649040 /nfs/dbraw/zinc/64/90/40/804649040.db2.gz ZJCKYAVHQVLOPU-MPPDQPJWSA-N 3 2 277.372 0.069 20 0 CCADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C2 ZINC001220716428 804655260 /nfs/dbraw/zinc/65/52/60/804655260.db2.gz HNGSXYIIHCWBLL-DEQVHRJGSA-N 3 2 291.399 0.411 20 0 CCADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C2 ZINC001220716428 804655265 /nfs/dbraw/zinc/65/52/65/804655265.db2.gz HNGSXYIIHCWBLL-DEQVHRJGSA-N 3 2 291.399 0.411 20 0 CCADLP CC1(C)C[C@@H](CNC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CCO1 ZINC001220953135 804706217 /nfs/dbraw/zinc/70/62/17/804706217.db2.gz MHDRADINZUKTDK-CMPLNLGQSA-N 2 2 280.372 0.601 20 0 CCADLP COC[C@@H](NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)C1CC1 ZINC001221012817 804718284 /nfs/dbraw/zinc/71/82/84/804718284.db2.gz CEBMDZLIPVJCOU-UONOGXRCSA-N 2 2 277.368 0.800 20 0 CCADLP Cc1cccc([C@@H](CO)NC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)c1 ZINC001221192476 804743682 /nfs/dbraw/zinc/74/36/82/804743682.db2.gz UHZJSHWDRMQUMC-IIAWOOMASA-N 2 2 289.379 0.096 20 0 CCADLP O=C(N[C@H]1CCCc2cnccc21)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001221291930 804766463 /nfs/dbraw/zinc/76/64/63/804766463.db2.gz AHIPHUMUJNZRQL-CYUUQNCZSA-N 2 2 286.379 0.525 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N[C@H]2CCC[N@H+](C)C2)c1 ZINC001221293213 804769522 /nfs/dbraw/zinc/76/95/22/804769522.db2.gz BJAPGKMPAXMJBL-LBPRGKRZSA-N 2 2 265.361 0.356 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N[C@H]2CCC[N@@H+](C)C2)c1 ZINC001221293213 804769524 /nfs/dbraw/zinc/76/95/24/804769524.db2.gz BJAPGKMPAXMJBL-LBPRGKRZSA-N 2 2 265.361 0.356 20 0 CCADLP C[NH+]1CCN(c2cc[nH+]cc2C(=O)NCCCC[NH3+])CC1 ZINC001221346056 804783889 /nfs/dbraw/zinc/78/38/89/804783889.db2.gz OYSQDMQRIZUKLG-UHFFFAOYSA-N 3 2 291.399 0.302 20 0 CCADLP CC(C)[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)c1cccnc1 ZINC001221382722 804797338 /nfs/dbraw/zinc/79/73/38/804797338.db2.gz OGFPFJCYNSPKPG-YCPHGPKFSA-N 2 2 288.395 0.846 20 0 CCADLP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H]([NH3+])c1ccccc1 ZINC001221388982 804799180 /nfs/dbraw/zinc/79/91/80/804799180.db2.gz GWUVLYVAKOBZPV-CYBMUJFWSA-N 3 2 291.399 0.750 20 0 CCADLP C[C@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)c1ccno1 ZINC001221396690 804801630 /nfs/dbraw/zinc/80/16/30/804801630.db2.gz DPLAMRBVNPRUDC-WPRPVWTQSA-N 2 2 263.301 0.155 20 0 CCADLP COCC[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222098803 804868919 /nfs/dbraw/zinc/86/89/19/804868919.db2.gz QBNGBCGEVJOOPK-LBPRGKRZSA-N 2 2 266.345 0.110 20 0 CCADLP [NH3+][C@@H]1NC(CN2CCC[C@]23CCC[NH2+]C3)=CS1 ZINC001222232124 804884645 /nfs/dbraw/zinc/88/46/45/804884645.db2.gz SETWHVKHOPHADA-NEPJUHHUSA-N 2 2 254.403 0.625 20 0 CCADLP Cc1nc(N(C)CCN(C)C(=O)CC[NH+](C)C)cc[nH+]1 ZINC001105555189 815061775 /nfs/dbraw/zinc/06/17/75/815061775.db2.gz QJXQZTFTODCMNV-UHFFFAOYSA-N 2 2 279.388 0.631 20 0 CCADLP C[C@H](O)CCC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001277267372 805412429 /nfs/dbraw/zinc/41/24/29/805412429.db2.gz VFNFWYZTPKXVSL-LBPRGKRZSA-N 2 2 280.372 0.283 20 0 CCADLP COC[C@H](C)[NH+]1CCC(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001228516999 805454076 /nfs/dbraw/zinc/45/40/76/805454076.db2.gz UXZZDUGFLQLBJZ-ZDUSSCGKSA-N 2 2 294.399 0.889 20 0 CCADLP CCOC(=O)[C@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@@H](C)O ZINC001168300190 815082737 /nfs/dbraw/zinc/08/27/37/815082737.db2.gz QHOAOIIQZOPKON-IKWCTNDRSA-N 2 2 272.389 0.761 20 0 CCADLP C[NH+]1CCN(C(=O)c2ccnc(C3=CC[NH2+]C3)c2)CC1 ZINC001243108383 807029879 /nfs/dbraw/zinc/02/98/79/807029879.db2.gz LEKAFHXTMIKQEK-UHFFFAOYSA-N 2 2 272.352 0.456 20 0 CCADLP CCCOC[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001246053495 807135120 /nfs/dbraw/zinc/13/51/20/807135120.db2.gz RNYOCSSEUCOWOD-GMTAPVOTSA-N 2 2 284.322 0.985 20 0 CCADLP CCCOC[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C(F)(F)F)C1 ZINC001246053495 807135126 /nfs/dbraw/zinc/13/51/26/807135126.db2.gz RNYOCSSEUCOWOD-GMTAPVOTSA-N 2 2 284.322 0.985 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H](NCC2([NH3+])CCCC2)C[NH2+]1 ZINC001246074410 807142318 /nfs/dbraw/zinc/14/23/18/807142318.db2.gz CWHMYILIRMDDTR-SMDDNHRTSA-N 2 2 269.389 0.531 20 0 CCADLP F[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCN(c2ncccn2)CC1 ZINC001246088169 807148215 /nfs/dbraw/zinc/14/82/15/807148215.db2.gz RRGJEJCBMRBTBM-OLZOCXBDSA-N 2 2 279.363 0.735 20 0 CCADLP CC[C@@]1(C(=O)OC)C[C@H](N[C@H]2C[NH2+]CC[C@H]2C)C[NH2+]1 ZINC001246094202 807151200 /nfs/dbraw/zinc/15/12/00/807151200.db2.gz DNZZNYFRHRUPDX-UHXUPSOCSA-N 2 2 269.389 0.258 20 0 CCADLP CC[C@@]1(C(=O)OC)C[C@H](N[C@@H]2CCCC[C@@H]2[NH3+])C[NH2+]1 ZINC001246101908 807153726 /nfs/dbraw/zinc/15/37/26/807153726.db2.gz MVRJHMZABYBHGL-FMSGJZPZSA-N 2 2 269.389 0.530 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246116407 807158802 /nfs/dbraw/zinc/15/88/02/807158802.db2.gz DWNSWJNTPYQOBS-FVCCEPFGSA-N 2 2 283.416 0.646 20 0 CCADLP CCOC(=O)[C@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)CO1 ZINC001246119956 807159472 /nfs/dbraw/zinc/15/94/72/807159472.db2.gz YEVRJLZQUCSMHV-YVECIDJPSA-N 2 2 270.373 0.685 20 0 CCADLP C([NH2+][C@@H]1CCC[NH2+]C1)[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001246133548 807162745 /nfs/dbraw/zinc/16/27/45/807162745.db2.gz KDYMQXXQOQHRAY-CHWSQXEVSA-N 3 2 253.390 0.629 20 0 CCADLP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H]1C[NH2+]CC12CC2 ZINC001246132122 807162773 /nfs/dbraw/zinc/16/27/73/807162773.db2.gz LBVGZRKHISYEJM-NEPJUHHUSA-N 2 2 253.390 0.975 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Nc2ccc(CC[NH3+])cc2)C[NH2+]1 ZINC001246163119 807172493 /nfs/dbraw/zinc/17/24/93/807172493.db2.gz VTCBAFIWBGRMIM-OLZOCXBDSA-N 2 2 263.341 0.503 20 0 CCADLP C[C@@H](C[NH+]1CCCC1)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246174669 807175454 /nfs/dbraw/zinc/17/54/54/807175454.db2.gz CMGOHFUEPDILSQ-STQMWFEESA-N 3 2 252.406 0.154 20 0 CCADLP C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246174668 807175627 /nfs/dbraw/zinc/17/56/27/807175627.db2.gz CMGOHFUEPDILSQ-QWHCGFSZSA-N 3 2 252.406 0.154 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@@H](NC[C@@H]2CCCC[NH2+]2)C[NH2+]1 ZINC001246181408 807179341 /nfs/dbraw/zinc/17/93/41/807179341.db2.gz UGJRHONWJVKKIS-OUCADQQQSA-N 2 2 269.389 0.402 20 0 CCADLP CC(C)(C)OC(=O)[C@H](CCC[NH3+])[NH2+][C@H]1CCNC(=O)C1 ZINC001246206593 807186340 /nfs/dbraw/zinc/18/63/40/807186340.db2.gz IKCHPSWOZMYFHO-QWRGUYRKSA-N 2 2 285.388 0.304 20 0 CCADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H](O)[C@H]3OC(C)(C)O[C@@H]23)C[NH2+]1 ZINC001246216969 807190525 /nfs/dbraw/zinc/19/05/25/807190525.db2.gz CQPQWXCBASGDKH-RBBWPXTMSA-N 2 2 270.373 0.370 20 0 CCADLP c1cc(N2CCOCC2)nnc1C[NH2+]C1CC[NH2+]CC1 ZINC001246267720 807203440 /nfs/dbraw/zinc/20/34/40/807203440.db2.gz WHWFIBAVIFSUGI-UHFFFAOYSA-N 2 2 277.372 0.155 20 0 CCADLP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](C[NH2+][C@@H]2CCC[NH2+]C2)O1 ZINC001246287392 807209150 /nfs/dbraw/zinc/20/91/50/807209150.db2.gz MNKXSXSAJSCBGI-FDYHWXHSSA-N 3 2 257.378 0.053 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@@H]1[NH2+][C@H]1CCc2cc(F)cc(F)c2C1 ZINC001246298401 807211969 /nfs/dbraw/zinc/21/19/69/807211969.db2.gz BCNNMCDXWQRFHO-WBIUFABUSA-N 2 2 282.334 0.992 20 0 CCADLP FC(F)(C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)c1ccccn1 ZINC001246302404 807216266 /nfs/dbraw/zinc/21/62/66/807216266.db2.gz YFNYDCFTOQJGKO-NSHDSACASA-N 2 2 282.338 0.857 20 0 CCADLP CC(C)OC(=O)CC[C@@H](C)[NH2+][C@H]1C[NH2+]C[C@@H]1CO ZINC001246306821 807216952 /nfs/dbraw/zinc/21/69/52/807216952.db2.gz LOROLCSYVCWAQW-UTUOFQBUSA-N 2 2 258.362 0.277 20 0 CCADLP c1nnnn1-c1ccccc1C[NH2+][C@H]1CCC[NH2+]C1 ZINC001246318350 807219513 /nfs/dbraw/zinc/21/95/13/807219513.db2.gz RGHKRVHPXUUSRB-LBPRGKRZSA-N 2 2 258.329 0.504 20 0 CCADLP C[C@H]1CC[C@H]([NH2+]CCOc2ccccc2C(N)=O)C[NH2+]1 ZINC001246323942 807221565 /nfs/dbraw/zinc/22/15/65/807221565.db2.gz GAKYAUSTNKAEAF-RYUDHWBXSA-N 2 2 277.368 0.894 20 0 CCADLP CC[C@@]1(C(=O)OC)C[C@H](N[C@@H]2CCC[NH2+][C@@H]2C)C[NH2+]1 ZINC001246329974 807224287 /nfs/dbraw/zinc/22/42/87/807224287.db2.gz TYCWZYTWTCXSPB-CZXHOFHRSA-N 2 2 269.389 0.400 20 0 CCADLP C1C[C@H]([NH2+][C@@H]2CCC[NH2+]C2)[C@@H](N2CCOCC2)C1 ZINC001246333792 807225635 /nfs/dbraw/zinc/22/56/35/807225635.db2.gz AFRIPTNYCCUUCW-RDBSUJKOSA-N 2 2 253.390 0.581 20 0 CCADLP CCCC[C@H]1C[C@H]([NH2+]CCN2CC[NH2+]CC2=O)CC[NH2+]1 ZINC001246355531 807231731 /nfs/dbraw/zinc/23/17/31/807231731.db2.gz JDBUSIDEGORCIC-UONOGXRCSA-N 3 2 282.432 0.319 20 0 CCADLP C[C@H]1CC[C@@H]([NH2+][C@@H]2CCN(c3ccncn3)C2)C[NH2+]1 ZINC001246370895 807237580 /nfs/dbraw/zinc/23/75/80/807237580.db2.gz SXIYDNVDYJSIHZ-YNEHKIRRSA-N 2 2 261.373 0.785 20 0 CCADLP CCOC(=O)CC[C@@H](C)[NH2+][C@@H](CCC[NH3+])C(=O)OC ZINC001246399932 807241946 /nfs/dbraw/zinc/24/19/46/807241946.db2.gz BJPOTMXTJQQXHD-MNOVXSKESA-N 2 2 274.361 0.588 20 0 CCADLP C[C@@H]1CC[C@@H]([NH2+]C2(C)CCS(=O)(=O)CC2)C[NH2+]1 ZINC001246417700 807248892 /nfs/dbraw/zinc/24/88/92/807248892.db2.gz CFFWDHFNPAFEPJ-GHMZBOCLSA-N 2 2 260.403 0.684 20 0 CCADLP COCCOc1cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)ncn1 ZINC001246437206 807251692 /nfs/dbraw/zinc/25/16/92/807251692.db2.gz ZYIFMEXIRXTDRK-VXGBXAGGSA-N 2 2 280.372 0.732 20 0 CCADLP [NH3+]Cc1nc2cnccc2n1[C@H]1CC[NH2+]C2(CNC2)C1 ZINC001246447415 807252845 /nfs/dbraw/zinc/25/28/45/807252845.db2.gz PSPVTZXZAODYNN-JTQLQIEISA-N 2 2 272.356 0.157 20 0 CCADLP CC[C@]1(N[C@H]2C[NH2+][C@H](C(=O)OC(C)(C)C)C2)CC[NH2+]C1 ZINC001246467002 807258038 /nfs/dbraw/zinc/25/80/38/807258038.db2.gz YHKXDRMAAIOBJR-XUJVJEKNSA-N 2 2 283.416 0.790 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@](C)([NH3+])C2)CO1 ZINC001246527501 807274408 /nfs/dbraw/zinc/27/44/08/807274408.db2.gz DZSWMPYLKSPCFW-GVXVVHGQSA-N 2 2 256.346 0.520 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@](C)([NH3+])C2)CO1 ZINC001246527501 807274428 /nfs/dbraw/zinc/27/44/28/807274428.db2.gz DZSWMPYLKSPCFW-GVXVVHGQSA-N 2 2 256.346 0.520 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@](C)([NH3+])C2)CO1 ZINC001246527502 807274945 /nfs/dbraw/zinc/27/49/45/807274945.db2.gz DZSWMPYLKSPCFW-MDZLAQPJSA-N 2 2 256.346 0.520 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CC[C@](C)([NH3+])C2)CO1 ZINC001246527502 807274949 /nfs/dbraw/zinc/27/49/49/807274949.db2.gz DZSWMPYLKSPCFW-MDZLAQPJSA-N 2 2 256.346 0.520 20 0 CCADLP C[C@H]1C[C@@H]([NH+]2CCN(c3cnccn3)CC2)CC[NH2+]1 ZINC001246536460 807277265 /nfs/dbraw/zinc/27/72/65/807277265.db2.gz FTDZEXADWSPQHS-STQMWFEESA-N 2 2 261.373 0.739 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)C[C@H]1C(=O)OC ZINC001246563833 807292772 /nfs/dbraw/zinc/29/27/72/807292772.db2.gz VCVSFZFGTOORJB-NZEXEKPDSA-N 2 2 298.383 0.396 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@@H](C)[C@H]([NH3+])C2)C[C@H]1C(=O)OC ZINC001246563833 807292775 /nfs/dbraw/zinc/29/27/75/807292775.db2.gz VCVSFZFGTOORJB-NZEXEKPDSA-N 2 2 298.383 0.396 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C[C@H]1O ZINC001246585243 807307148 /nfs/dbraw/zinc/30/71/48/807307148.db2.gz NFVMQQWIBVECOG-YLFCFFPRSA-N 3 2 289.423 0.601 20 0 CCADLP [NH3+]C[C@H]1C[N@H+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C[C@H]1O ZINC001246585243 807307157 /nfs/dbraw/zinc/30/71/57/807307157.db2.gz NFVMQQWIBVECOG-YLFCFFPRSA-N 3 2 289.423 0.601 20 0 CCADLP CCOC(=O)[C@@H]1CC2(C[N@@H+]1[C@@H](C)CC[NH2+]C)CC[NH2+]CC2 ZINC001246608795 807322867 /nfs/dbraw/zinc/32/28/67/807322867.db2.gz JVTBVAKDFAVTAL-KBPBESRZSA-N 3 2 297.443 0.992 20 0 CCADLP CCOC(=O)[C@@H]1CC2(C[N@H+]1[C@@H](C)CC[NH2+]C)CC[NH2+]CC2 ZINC001246608795 807322874 /nfs/dbraw/zinc/32/28/74/807322874.db2.gz JVTBVAKDFAVTAL-KBPBESRZSA-N 3 2 297.443 0.992 20 0 CCADLP CC(=O)N1CC[C@@H]([N@@H+]2CCC[C@@]23CCC[NH2+]C3)C1 ZINC001246608321 807322898 /nfs/dbraw/zinc/32/28/98/807322898.db2.gz JCVDLSNZYNPPKK-ZIAGYGMSSA-N 2 2 251.374 0.825 20 0 CCADLP CC(=O)N1CC[C@@H]([N@H+]2CCC[C@@]23CCC[NH2+]C3)C1 ZINC001246608321 807322905 /nfs/dbraw/zinc/32/29/05/807322905.db2.gz JCVDLSNZYNPPKK-ZIAGYGMSSA-N 2 2 251.374 0.825 20 0 CCADLP CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@@H+]2[C@H]2CCC[NH2+]C2)O1 ZINC001246707111 807360589 /nfs/dbraw/zinc/36/05/89/807360589.db2.gz TVUGKQHFBPLFAA-UMSGYPCISA-N 2 2 267.373 0.058 20 0 CCADLP CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@H+]2[C@H]2CCC[NH2+]C2)O1 ZINC001246707111 807360598 /nfs/dbraw/zinc/36/05/98/807360598.db2.gz TVUGKQHFBPLFAA-UMSGYPCISA-N 2 2 267.373 0.058 20 0 CCADLP C[C@@H]1C[C@H](N2CC([N@@H+]3CCOC(C)(C)C3)C2)CC[NH2+]1 ZINC001246845886 807403995 /nfs/dbraw/zinc/40/39/95/807403995.db2.gz MXOZFCWMKSISMR-CHWSQXEVSA-N 2 2 267.417 0.922 20 0 CCADLP C[C@@H]1C[C@H](N2CC([N@H+]3CCOC(C)(C)C3)C2)CC[NH2+]1 ZINC001246845886 807403998 /nfs/dbraw/zinc/40/39/98/807403998.db2.gz MXOZFCWMKSISMR-CHWSQXEVSA-N 2 2 267.417 0.922 20 0 CCADLP C[C@H]1C[C@@H](N2CC([N@@H+]3CCOC(C)(C)C3)C2)CC[NH2+]1 ZINC001246845892 807404123 /nfs/dbraw/zinc/40/41/23/807404123.db2.gz MXOZFCWMKSISMR-STQMWFEESA-N 2 2 267.417 0.922 20 0 CCADLP C[C@H]1C[C@@H](N2CC([N@H+]3CCOC(C)(C)C3)C2)CC[NH2+]1 ZINC001246845892 807404127 /nfs/dbraw/zinc/40/41/27/807404127.db2.gz MXOZFCWMKSISMR-STQMWFEESA-N 2 2 267.417 0.922 20 0 CCADLP C[C@H]1CC[C@@H](N2CC([N@@H+]3CCOC(C)(C)C3)C2)C[NH2+]1 ZINC001246846623 807405025 /nfs/dbraw/zinc/40/50/25/807405025.db2.gz PMTQVXNWVZGKEE-QWHCGFSZSA-N 2 2 267.417 0.922 20 0 CCADLP C[C@H]1CC[C@@H](N2CC([N@H+]3CCOC(C)(C)C3)C2)C[NH2+]1 ZINC001246846623 807405029 /nfs/dbraw/zinc/40/50/29/807405029.db2.gz PMTQVXNWVZGKEE-QWHCGFSZSA-N 2 2 267.417 0.922 20 0 CCADLP COC(=O)[C@@H]([NH3+])C1CC[NH+]([C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246866157 807413096 /nfs/dbraw/zinc/41/30/96/807413096.db2.gz ADIYMBKOMZYQRX-WXHSDQCUSA-N 3 2 269.389 0.339 20 0 CCADLP COc1cc(N2CC[NH+]([C@@H]3CC[NH2+][C@H](C)C3)CC2)ncn1 ZINC001246920872 807429034 /nfs/dbraw/zinc/42/90/34/807429034.db2.gz TYAVBHRHLPQIDO-CHWSQXEVSA-N 2 2 291.399 0.748 20 0 CCADLP COC(=O)[C@H]1C[N@H+](C2CCC(OC)CC2)C[C@@H]1[NH3+] ZINC001246932692 807434186 /nfs/dbraw/zinc/43/41/86/807434186.db2.gz QNPWNDGWTQHYOC-QQFIATSDSA-N 2 2 256.346 0.376 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](C2CCC(OC)CC2)C[C@@H]1[NH3+] ZINC001246932692 807434188 /nfs/dbraw/zinc/43/41/88/807434188.db2.gz QNPWNDGWTQHYOC-QQFIATSDSA-N 2 2 256.346 0.376 20 0 CCADLP CCNC(=O)COC1CC[NH+]([C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246975575 807445144 /nfs/dbraw/zinc/44/51/44/807445144.db2.gz VFKNBTFIFKRSMI-CHWSQXEVSA-N 2 2 283.416 0.744 20 0 CCADLP CN1C(=O)CC[C@@H]2C[N@H+]([C@H]3CCC[NH2+]C3)CC[C@@H]21 ZINC001246990406 807448277 /nfs/dbraw/zinc/44/82/77/807448277.db2.gz TWZKGENOVSYDNK-AGIUHOORSA-N 2 2 251.374 0.681 20 0 CCADLP CN1C(=O)CC[C@@H]2C[N@@H+]([C@H]3CCC[NH2+]C3)CC[C@@H]21 ZINC001246990406 807448286 /nfs/dbraw/zinc/44/82/86/807448286.db2.gz TWZKGENOVSYDNK-AGIUHOORSA-N 2 2 251.374 0.681 20 0 CCADLP C[C@@H]1C[N@H+](C2CN([C@H]3CCC[NH2+]C3)C2)C[C@H](C)O1 ZINC001246991604 807449911 /nfs/dbraw/zinc/44/99/11/807449911.db2.gz IURGDQUCTWDSIX-XQQFMLRXSA-N 2 2 253.390 0.532 20 0 CCADLP C[C@@H]1C[N@@H+](C2CN([C@H]3CCC[NH2+]C3)C2)C[C@H](C)O1 ZINC001246991604 807449914 /nfs/dbraw/zinc/44/99/14/807449914.db2.gz IURGDQUCTWDSIX-XQQFMLRXSA-N 2 2 253.390 0.532 20 0 CCADLP CCOC(=O)[C@H]1C[N@@H+]([C@@H]2CCCC[NH2+]C2)CCC12C[NH2+]C2 ZINC001247009145 807453548 /nfs/dbraw/zinc/45/35/48/807453548.db2.gz ONADYNBEAGBVNY-ZIAGYGMSSA-N 3 2 295.427 0.603 20 0 CCADLP CCOC(=O)[C@H]1C[N@H+]([C@@H]2CCCC[NH2+]C2)CCC12C[NH2+]C2 ZINC001247009145 807453549 /nfs/dbraw/zinc/45/35/49/807453549.db2.gz ONADYNBEAGBVNY-ZIAGYGMSSA-N 3 2 295.427 0.603 20 0 CCADLP CC(C)Oc1ccc(-c2noc(C[C@@H]([NH3+])C[NH3+])n2)cn1 ZINC001249129208 807544395 /nfs/dbraw/zinc/54/43/95/807544395.db2.gz SWFFQTNKGKFZIK-SNVBAGLBSA-N 2 2 277.328 0.747 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CCF)[C@@H]1C ZINC001088750210 815129209 /nfs/dbraw/zinc/12/92/09/815129209.db2.gz BIEOIPOMVJGTDJ-NEPJUHHUSA-N 2 2 268.336 0.740 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CCF)[C@@H]1C ZINC001088750210 815129215 /nfs/dbraw/zinc/12/92/15/815129215.db2.gz BIEOIPOMVJGTDJ-NEPJUHHUSA-N 2 2 268.336 0.740 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])NC2CC[NH+](CC3CC3)CC2)CC1 ZINC001168358670 815130478 /nfs/dbraw/zinc/13/04/78/815130478.db2.gz UABKMHXHYUOLFQ-UHFFFAOYSA-N 3 2 279.432 0.633 20 0 CCADLP Cc1cn2cc(NC[C@@H](O)C[NH+]3CCOCC3)ccc2[nH+]1 ZINC001251006226 807636663 /nfs/dbraw/zinc/63/66/63/807636663.db2.gz JNOXJFHDKGLYSR-CQSZACIVSA-N 2 2 290.367 0.748 20 0 CCADLP CCOc1cc(NC[C@@H](O)C[NH+]2CCOCC2)cc(C)[nH+]1 ZINC001251005377 807636800 /nfs/dbraw/zinc/63/68/00/807636800.db2.gz BCIOPWYESWRUQX-CQSZACIVSA-N 2 2 295.383 0.894 20 0 CCADLP O[C@H](CNc1ccc2[nH+]ccn2c1)C[NH+]1CCOCC1 ZINC001251006047 807637622 /nfs/dbraw/zinc/63/76/22/807637622.db2.gz CIKCAXGQYQNMKT-CYBMUJFWSA-N 2 2 276.340 0.439 20 0 CCADLP O[C@@H](CNCC[NH+]1CCCCCC1)C[NH+]1CCOCC1 ZINC001251033119 807648972 /nfs/dbraw/zinc/64/89/72/807648972.db2.gz KGYQFOXBWBMZGW-HNNXBMFYSA-N 2 2 285.432 0.145 20 0 CCADLP CCOC[C@H](O)C[NH2+]CCSCc1[nH]c[nH+]c1C ZINC001252044070 807774144 /nfs/dbraw/zinc/77/41/44/807774144.db2.gz NKKHNTWPLUGCIV-LLVKDONJSA-N 2 2 273.402 0.938 20 0 CCADLP O[C@]1(C[NH2+]CC2OCCO2)CC[N@H+](Cc2ccccc2)C1 ZINC001252947222 807987839 /nfs/dbraw/zinc/98/78/39/807987839.db2.gz YBLOILSJTWWRTR-INIZCTEOSA-N 2 2 292.379 0.586 20 0 CCADLP O[C@]1(C[NH2+]CC2OCCO2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252947222 807987843 /nfs/dbraw/zinc/98/78/43/807987843.db2.gz YBLOILSJTWWRTR-INIZCTEOSA-N 2 2 292.379 0.586 20 0 CCADLP C[NH+]1CCN(C2C[NH+](C[C@](C)(O)c3ccccc3)C2)CC1 ZINC001253105704 808003687 /nfs/dbraw/zinc/00/36/87/808003687.db2.gz QWWVEUQEEBBIHF-KRWDZBQOSA-N 2 2 289.423 0.826 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH+]1CCC2(CCCC(=O)N2)CC1 ZINC001253184833 808021511 /nfs/dbraw/zinc/02/15/11/808021511.db2.gz LKIGLZYWSHJQPW-AWEZNQCLSA-N 2 2 297.443 0.824 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH+]1CC2(C1)CC[NH+](C)CC2 ZINC001253195143 808028702 /nfs/dbraw/zinc/02/87/02/808028702.db2.gz ODOIQEZIJOHSNZ-CQSZACIVSA-N 3 2 269.433 0.717 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]CCCc1[nH]cc[nH+]1 ZINC001253217016 808037822 /nfs/dbraw/zinc/03/78/22/808037822.db2.gz SIEPDRUMHTVIJA-GFCCVEGCSA-N 3 2 254.378 0.635 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253413095 808064484 /nfs/dbraw/zinc/06/44/84/808064484.db2.gz XXLMILJUTAISCE-AGIUHOORSA-N 3 2 257.422 0.665 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253413095 808064491 /nfs/dbraw/zinc/06/44/91/808064491.db2.gz XXLMILJUTAISCE-AGIUHOORSA-N 3 2 257.422 0.665 20 0 CCADLP Cc1[nH+]cn([C@@H]2CCS(=O)(=O)C2)c1CSCC[NH3+] ZINC001254318950 808204153 /nfs/dbraw/zinc/20/41/53/808204153.db2.gz PPWJOCOBRDLVJE-SNVBAGLBSA-N 2 2 289.426 0.743 20 0 CCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)N[C@H]1CCC[N@H+](C)CC1 ZINC001254510484 808248046 /nfs/dbraw/zinc/24/80/46/808248046.db2.gz WYUYWQIORFJZMN-JSGCOSHPSA-N 2 2 294.399 0.578 20 0 CCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)N[C@H]1CCC[N@@H+](C)CC1 ZINC001254510484 808248050 /nfs/dbraw/zinc/24/80/50/808248050.db2.gz WYUYWQIORFJZMN-JSGCOSHPSA-N 2 2 294.399 0.578 20 0 CCADLP C[NH+]1CC(C(=O)N2CC[N@@H+]3CCc4ccccc4[C@H]3C2)C1 ZINC001142596004 815189124 /nfs/dbraw/zinc/18/91/24/815189124.db2.gz WLRYFVOLWZGNPR-MRXNPFEDSA-N 2 2 285.391 0.990 20 0 CCADLP C[NH+]1CC(C(=O)N2CC[N@H+]3CCc4ccccc4[C@H]3C2)C1 ZINC001142596004 815189127 /nfs/dbraw/zinc/18/91/27/815189127.db2.gz WLRYFVOLWZGNPR-MRXNPFEDSA-N 2 2 285.391 0.990 20 0 CCADLP O=C(CC[NH2+][C@@H]1CC2CC[NH+](CC2)C1)N1CCOCC1 ZINC001254830569 808282829 /nfs/dbraw/zinc/28/28/29/808282829.db2.gz HAKRGKZEHUMRQI-CQSZACIVSA-N 2 2 281.400 0.309 20 0 CCADLP CN1CCOC[C@@H]1C[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254840254 808285057 /nfs/dbraw/zinc/28/50/57/808285057.db2.gz DYLQZQHYPULMSA-KGLIPLIRSA-N 2 2 253.390 0.391 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])NC2C[C@@H]3CC(=O)C[C@H]3C2)CC1 ZINC001254924128 808297585 /nfs/dbraw/zinc/29/75/85/808297585.db2.gz JEEJIDMTMMXBSH-GHMZBOCLSA-N 2 2 264.373 0.516 20 0 CCADLP [NH3+]CCC(=O)NCCc1c[nH+]cn1C1CCOCC1 ZINC001255034417 808309868 /nfs/dbraw/zinc/30/98/68/808309868.db2.gz PMQXFQJLOYDECP-UHFFFAOYSA-N 2 2 266.345 0.242 20 0 CCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)N[C@H]1CCC[N@H+](C)C1 ZINC001255475827 808384038 /nfs/dbraw/zinc/38/40/38/808384038.db2.gz WFUSILAAVPVNMZ-AAEUAGOBSA-N 2 2 280.372 0.188 20 0 CCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)N[C@H]1CCC[N@@H+](C)C1 ZINC001255475827 808384047 /nfs/dbraw/zinc/38/40/47/808384047.db2.gz WFUSILAAVPVNMZ-AAEUAGOBSA-N 2 2 280.372 0.188 20 0 CCADLP CN1CC[N@H+](C)C2(CCN([C@H]3CCC[NH+](C)C3)CC2)C1=O ZINC001255489395 808389493 /nfs/dbraw/zinc/38/94/93/808389493.db2.gz OOLRMOVUHSQLIJ-AWEZNQCLSA-N 2 2 294.443 0.319 20 0 CCADLP CN1CC[N@@H+](C)C2(CCN([C@H]3CCC[NH+](C)C3)CC2)C1=O ZINC001255489395 808389502 /nfs/dbraw/zinc/38/95/02/808389502.db2.gz OOLRMOVUHSQLIJ-AWEZNQCLSA-N 2 2 294.443 0.319 20 0 CCADLP CN1CC[NH+](C)C2(CCN([C@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001255489395 808389511 /nfs/dbraw/zinc/38/95/11/808389511.db2.gz OOLRMOVUHSQLIJ-AWEZNQCLSA-N 2 2 294.443 0.319 20 0 CCADLP CN1CC[NH+](C)C2(CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC001255489395 808389519 /nfs/dbraw/zinc/38/95/19/808389519.db2.gz OOLRMOVUHSQLIJ-AWEZNQCLSA-N 2 2 294.443 0.319 20 0 CCADLP CC(=O)NC1C[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001255680162 808423439 /nfs/dbraw/zinc/42/34/39/808423439.db2.gz IPTQLCWDSLSZLX-PBWFPOADSA-N 2 2 251.374 0.822 20 0 CCADLP CC(=O)NC1C[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001255680162 808423448 /nfs/dbraw/zinc/42/34/48/808423448.db2.gz IPTQLCWDSLSZLX-PBWFPOADSA-N 2 2 251.374 0.822 20 0 CCADLP CC[NH+](CC)CC[C@H](C)N1CC[NH+](CC(=O)N(C)C)CC1 ZINC001255962230 808441521 /nfs/dbraw/zinc/44/15/21/808441521.db2.gz SHTBLUGQYIPCBV-HNNXBMFYSA-N 2 2 298.475 0.813 20 0 CCADLP CCOC(=O)N1CC[C@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC001256012219 808446942 /nfs/dbraw/zinc/44/69/42/808446942.db2.gz BASXQTWIZKIZOU-NSHDSACASA-N 2 2 252.318 0.704 20 0 CCADLP C[C@]1([NH2+]C2CC[NH+](C3CC3)CC2)CCC(=O)NC1=O ZINC001256069628 808467158 /nfs/dbraw/zinc/46/71/58/808467158.db2.gz JQQJPGPXDHTTSS-AWEZNQCLSA-N 2 2 265.357 0.398 20 0 CCADLP c1nnc2n1CC[N@@H+](C1CC[NH+](C3CC3)CC1)CC2 ZINC001256075773 808468167 /nfs/dbraw/zinc/46/81/67/808468167.db2.gz QCAXKKIDFDRZNT-UHFFFAOYSA-N 2 2 261.373 0.763 20 0 CCADLP c1nnc2n1CC[N@H+](C1CC[NH+](C3CC3)CC1)CC2 ZINC001256075773 808468170 /nfs/dbraw/zinc/46/81/70/808468170.db2.gz QCAXKKIDFDRZNT-UHFFFAOYSA-N 2 2 261.373 0.763 20 0 CCADLP C[NH+]1CCC([NH+]2CCC3(C[C@H](O)CO3)CC2)CC1 ZINC001256202467 808477117 /nfs/dbraw/zinc/47/71/17/808477117.db2.gz FCCLKKAPJRWTFR-ZDUSSCGKSA-N 2 2 254.374 0.696 20 0 CCADLP COc1cccc(CNC(=O)C[NH2+]C2CC[NH+](C)CC2)c1 ZINC001256198793 808477937 /nfs/dbraw/zinc/47/79/37/808477937.db2.gz AEEKYZXQGRXDSQ-UHFFFAOYSA-N 2 2 291.395 0.995 20 0 CCADLP C[NH+]1CCC([N@@H+]2CCCC[C@H]2C(=O)N2CCOCC2)CC1 ZINC001256207640 808479854 /nfs/dbraw/zinc/47/98/54/808479854.db2.gz QHZZQYLJOPZRAR-HNNXBMFYSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+]1CCC([N@H+]2CCCC[C@H]2C(=O)N2CCOCC2)CC1 ZINC001256207640 808479859 /nfs/dbraw/zinc/47/98/59/808479859.db2.gz QHZZQYLJOPZRAR-HNNXBMFYSA-N 2 2 295.427 0.794 20 0 CCADLP CCOC(=O)N1CCC([NH2+]C2(CO)CC[NH+](C)CC2)CC1 ZINC001256237416 808484147 /nfs/dbraw/zinc/48/41/47/808484147.db2.gz ARLJJADISJHVIR-UHFFFAOYSA-N 2 2 299.415 0.654 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC001256321354 808493937 /nfs/dbraw/zinc/49/39/37/808493937.db2.gz JMEGQETUOMZYGJ-NEPJUHHUSA-N 2 2 255.362 0.047 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[N@H+]1CCC[C@H]([NH3+])C1 ZINC001256321354 808493941 /nfs/dbraw/zinc/49/39/41/808493941.db2.gz JMEGQETUOMZYGJ-NEPJUHHUSA-N 2 2 255.362 0.047 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001256349611 808512847 /nfs/dbraw/zinc/51/28/47/808512847.db2.gz NXNGKVDBTVHDRY-RBSFLKMASA-N 2 2 295.427 0.650 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001256349611 808512849 /nfs/dbraw/zinc/51/28/49/808512849.db2.gz NXNGKVDBTVHDRY-RBSFLKMASA-N 2 2 295.427 0.650 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001256349611 808512852 /nfs/dbraw/zinc/51/28/52/808512852.db2.gz NXNGKVDBTVHDRY-RBSFLKMASA-N 2 2 295.427 0.650 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001256349611 808512855 /nfs/dbraw/zinc/51/28/55/808512855.db2.gz NXNGKVDBTVHDRY-RBSFLKMASA-N 2 2 295.427 0.650 20 0 CCADLP O=S1CC2(C[NH+](C3CCC([NH+]4CCOCC4)CC3)C2)C1 ZINC001256691473 808549611 /nfs/dbraw/zinc/54/96/11/808549611.db2.gz PNMLUVZLMJGUPH-UHFFFAOYSA-N 2 2 298.452 0.694 20 0 CCADLP COC(=O)CC1CCC(NC(=[NH2+])N2CC[NH+](C)CC2)CC1 ZINC001256976204 808574105 /nfs/dbraw/zinc/57/41/05/808574105.db2.gz VNPASMQLULUUBA-UHFFFAOYSA-N 2 2 296.415 0.880 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C2(CO)CC[NH+](C)CC2)C[C@H](C)O1 ZINC001257086564 808590923 /nfs/dbraw/zinc/59/09/23/808590923.db2.gz IVKLSJHIKXBGJV-CLLJXQQHSA-N 2 2 256.390 0.989 20 0 CCADLP C[C@@H](Cc1cccnc1)[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001258632217 808697296 /nfs/dbraw/zinc/69/72/96/808697296.db2.gz WGWCPBZIFNYHNT-AWEZNQCLSA-N 2 2 274.412 0.944 20 0 CCADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+]2CC[C@@H](CF)C2)C1 ZINC001262052832 809173617 /nfs/dbraw/zinc/17/36/17/809173617.db2.gz IWKONHVKYDKBSN-RYUDHWBXSA-N 2 2 280.347 0.985 20 0 CCADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+]2CC[C@@H](CF)C2)C1 ZINC001262052832 809173623 /nfs/dbraw/zinc/17/36/23/809173623.db2.gz IWKONHVKYDKBSN-RYUDHWBXSA-N 2 2 280.347 0.985 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001262094402 809188939 /nfs/dbraw/zinc/18/89/39/809188939.db2.gz HYWUDUDCBRJSAY-RYUDHWBXSA-N 2 2 263.345 0.456 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](N3C(=O)NC4(CC4)C3=O)C2)CC1 ZINC001262199299 809238097 /nfs/dbraw/zinc/23/80/97/809238097.db2.gz JHBSZFDJKAQTOB-LBPRGKRZSA-N 2 2 292.383 0.239 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](N3C(=O)NC4(CC4)C3=O)C2)CC1 ZINC001262199299 809238102 /nfs/dbraw/zinc/23/81/02/809238102.db2.gz JHBSZFDJKAQTOB-LBPRGKRZSA-N 2 2 292.383 0.239 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC001262586626 809360985 /nfs/dbraw/zinc/36/09/85/809360985.db2.gz IZUCAOKJHLNDCL-AWEZNQCLSA-N 3 2 297.447 0.241 20 0 CCADLP Cn1c[nH+]cc1C1CCN(C(=O)[C@@H]2C[C@@H]2C[NH3+])CC1 ZINC001263330257 809511259 /nfs/dbraw/zinc/51/12/59/809511259.db2.gz FTFJBZQHMCPHRP-VXGBXAGGSA-N 2 2 262.357 0.721 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)NCCC[N@H+](C)CCO)ccn12 ZINC001265846280 809873448 /nfs/dbraw/zinc/87/34/48/809873448.db2.gz ZVFKDIOQECNPAC-UHFFFAOYSA-N 2 2 290.367 0.687 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)NCCC[N@@H+](C)CCO)ccn12 ZINC001265846280 809873455 /nfs/dbraw/zinc/87/34/55/809873455.db2.gz ZVFKDIOQECNPAC-UHFFFAOYSA-N 2 2 290.367 0.687 20 0 CCADLP C[C@@H](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CCCO ZINC001266155507 809951077 /nfs/dbraw/zinc/95/10/77/809951077.db2.gz OLMQCARYHPERSV-QWHCGFSZSA-N 2 2 294.399 0.312 20 0 CCADLP COCCC[NH2+]C1CC(N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001279265674 809973682 /nfs/dbraw/zinc/97/36/82/809973682.db2.gz YJWYMOGSEBNEPI-UHFFFAOYSA-N 2 2 294.399 0.889 20 0 CCADLP C[N@H+](Cc1ccc(C(N)=O)cc1)C1(C[NH3+])CCOCC1 ZINC000725053090 811222157 /nfs/dbraw/zinc/22/21/57/811222157.db2.gz AILPUEZKGLOXLY-UHFFFAOYSA-N 2 2 277.368 0.725 20 0 CCADLP C[N@@H+](Cc1ccc(C(N)=O)cc1)C1(C[NH3+])CCOCC1 ZINC000725053090 811222161 /nfs/dbraw/zinc/22/21/61/811222161.db2.gz AILPUEZKGLOXLY-UHFFFAOYSA-N 2 2 277.368 0.725 20 0 CCADLP CN(CC[NH2+]CC[C@@H]1CCOC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001267445975 811311091 /nfs/dbraw/zinc/31/10/91/811311091.db2.gz KCHVDNBIJYLIPE-GFCCVEGCSA-N 2 2 280.372 0.427 20 0 CCADLP CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](O)C1 ZINC001083563385 815445684 /nfs/dbraw/zinc/44/56/84/815445684.db2.gz MUJRQEOZVRTENH-OLZOCXBDSA-N 2 2 294.399 0.498 20 0 CCADLP CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](O)C1 ZINC001083563385 815445687 /nfs/dbraw/zinc/44/56/87/815445687.db2.gz MUJRQEOZVRTENH-OLZOCXBDSA-N 2 2 294.399 0.498 20 0 CCADLP COCC[NH2+]C1CC(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001100716902 811478108 /nfs/dbraw/zinc/47/81/08/811478108.db2.gz VTLJXOOWBKGMIE-HSBZDZAISA-N 2 2 294.399 0.965 20 0 CCADLP Cc1nc(NC[C@@H](C)N(C)C(=O)[C@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001104571330 811500870 /nfs/dbraw/zinc/50/08/70/811500870.db2.gz CRZQONSIXWFCKW-YPMHNXCESA-N 2 2 291.399 0.996 20 0 CCADLP Cc1nc(NC[C@@H](C)N(C)C(=O)[C@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001104571330 811500873 /nfs/dbraw/zinc/50/08/73/811500873.db2.gz CRZQONSIXWFCKW-YPMHNXCESA-N 2 2 291.399 0.996 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cnco2)C1 ZINC001140933277 811561420 /nfs/dbraw/zinc/56/14/20/811561420.db2.gz PSLRSEVRAPWPBC-LLVKDONJSA-N 2 2 266.345 0.317 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cnco2)C1 ZINC001140933277 811561425 /nfs/dbraw/zinc/56/14/25/811561425.db2.gz PSLRSEVRAPWPBC-LLVKDONJSA-N 2 2 266.345 0.317 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCO[C@@H]2C[N@@H+](CCCF)C[C@@H]21 ZINC001083291209 811705416 /nfs/dbraw/zinc/70/54/16/811705416.db2.gz URBFUOWJKLWKKM-QWHCGFSZSA-N 2 2 296.346 0.154 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCO[C@@H]2C[N@H+](CCCF)C[C@@H]21 ZINC001083291209 811705421 /nfs/dbraw/zinc/70/54/21/811705421.db2.gz URBFUOWJKLWKKM-QWHCGFSZSA-N 2 2 296.346 0.154 20 0 CCADLP CC[C@H](C)C[C@H](C)NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220240449 811724753 /nfs/dbraw/zinc/72/47/53/811724753.db2.gz LFEVVZIFVMDTEM-CIQGVGRVSA-N 2 2 253.390 0.879 20 0 CCADLP C[C@@H](O)C[N@H+](C)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001027436283 812010582 /nfs/dbraw/zinc/01/05/82/812010582.db2.gz UBSISUVEQATMOT-OCCSQVGLSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@@H](O)C[N@@H+](C)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001027436283 812010592 /nfs/dbraw/zinc/01/05/92/812010592.db2.gz UBSISUVEQATMOT-OCCSQVGLSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@@H](O)C[N@H+](C)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001027436283 812010601 /nfs/dbraw/zinc/01/06/01/812010601.db2.gz UBSISUVEQATMOT-OCCSQVGLSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@@H](O)C[N@@H+](C)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001027436283 812010610 /nfs/dbraw/zinc/01/06/10/812010610.db2.gz UBSISUVEQATMOT-OCCSQVGLSA-N 2 2 294.399 0.646 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CCOCC1CC1 ZINC001149129599 812029763 /nfs/dbraw/zinc/02/97/63/812029763.db2.gz FRDGYVYVQPNAQE-UHFFFAOYSA-N 2 2 280.372 0.393 20 0 CCADLP COc1ccccc1[C@@H]([NH3+])C(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161550059 812123181 /nfs/dbraw/zinc/12/31/81/812123181.db2.gz AXVKABZPEZEGDR-CYBMUJFWSA-N 2 2 275.352 0.659 20 0 CCADLP CCN1CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1=O ZINC000722346154 812127453 /nfs/dbraw/zinc/12/74/53/812127453.db2.gz OHFMBOCLJMZZOU-CHWSQXEVSA-N 2 2 269.389 0.044 20 0 CCADLP C[C@@H](C[NH2+]CCCO)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001268071887 812184041 /nfs/dbraw/zinc/18/40/41/812184041.db2.gz RDLDTIULEAKKEO-QWHCGFSZSA-N 2 2 294.399 0.264 20 0 CCADLP COCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001268070061 812184328 /nfs/dbraw/zinc/18/43/28/812184328.db2.gz CEKDHUYVCNLYPK-STQMWFEESA-N 2 2 294.399 0.528 20 0 CCADLP C[C@@H](NCc1nc(C[NH+](C)C)cs1)C1C[NH2+]C1 ZINC000722402604 812276318 /nfs/dbraw/zinc/27/63/18/812276318.db2.gz VRLMZTCLGSGIAB-SECBINFHSA-N 2 2 254.403 0.902 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1[NH2+]CCCO ZINC001268145155 812302983 /nfs/dbraw/zinc/30/29/83/812302983.db2.gz ZVAQQEBTZBOPEL-TZMCWYRMSA-N 2 2 294.399 0.172 20 0 CCADLP COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001114956125 812443181 /nfs/dbraw/zinc/44/31/81/812443181.db2.gz BRBSNRGFBMWWHS-ZZVYKPCYSA-N 2 2 292.383 0.281 20 0 CCADLP COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001114956125 812443187 /nfs/dbraw/zinc/44/31/87/812443187.db2.gz BRBSNRGFBMWWHS-ZZVYKPCYSA-N 2 2 292.383 0.281 20 0 CCADLP COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001114956125 812443192 /nfs/dbraw/zinc/44/31/92/812443192.db2.gz BRBSNRGFBMWWHS-ZZVYKPCYSA-N 2 2 292.383 0.281 20 0 CCADLP COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001114956125 812443198 /nfs/dbraw/zinc/44/31/98/812443198.db2.gz BRBSNRGFBMWWHS-ZZVYKPCYSA-N 2 2 292.383 0.281 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](CCCOC)C1 ZINC001268317114 812480915 /nfs/dbraw/zinc/48/09/15/812480915.db2.gz DIQKHYNQQRHOKG-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](CCCOC)C1 ZINC001268317114 812480919 /nfs/dbraw/zinc/48/09/19/812480919.db2.gz DIQKHYNQQRHOKG-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP Cc1ncc(C[NH2+]CC[C@@H](C)NC(=O)Cn2cc[nH+]c2)o1 ZINC001268429960 812562392 /nfs/dbraw/zinc/56/23/92/812562392.db2.gz GWZGBNJJXSFXTG-LLVKDONJSA-N 2 2 291.355 0.864 20 0 CCADLP COc1ccc(-c2noc([C@H]3C[NH2+]C[C@@H]3[NH3+])n2)cc1OC ZINC001211755611 812670101 /nfs/dbraw/zinc/67/01/01/812670101.db2.gz VSSJDXYTMJEOPP-UWVGGRQHSA-N 2 2 290.323 0.768 20 0 CCADLP Cn1ncc2ccc(-c3noc([C@H]4C[NH2+]C[C@@H]4[NH3+])n3)cc21 ZINC001211755675 812671434 /nfs/dbraw/zinc/67/14/34/812671434.db2.gz YWWIKZSCOFZISB-QWRGUYRKSA-N 2 2 284.323 0.637 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](Cc2cnon2)C1 ZINC001028446746 812711791 /nfs/dbraw/zinc/71/17/91/812711791.db2.gz HQZACAICTCAFHF-WCQYABFASA-N 2 2 293.371 0.102 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](Cc2cnon2)C1 ZINC001028446746 812711795 /nfs/dbraw/zinc/71/17/95/812711795.db2.gz HQZACAICTCAFHF-WCQYABFASA-N 2 2 293.371 0.102 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2cnon2)C1 ZINC001028446746 812711798 /nfs/dbraw/zinc/71/17/98/812711798.db2.gz HQZACAICTCAFHF-WCQYABFASA-N 2 2 293.371 0.102 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001028446746 812711802 /nfs/dbraw/zinc/71/18/02/812711802.db2.gz HQZACAICTCAFHF-WCQYABFASA-N 2 2 293.371 0.102 20 0 CCADLP CCN(CC[NH2+]C[C@@H]1CCCOC1)C(=O)Cn1cc[nH+]c1 ZINC001268503020 812720549 /nfs/dbraw/zinc/72/05/49/812720549.db2.gz WGTIDNDARXCREB-AWEZNQCLSA-N 2 2 294.399 0.748 20 0 CCADLP O[C@@H]1COCC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168373360 815571184 /nfs/dbraw/zinc/57/11/84/815571184.db2.gz POPYAAUXHHZDIV-AWEZNQCLSA-N 2 2 254.374 0.554 20 0 CCADLP O[C@@H]1COCC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168373360 815571186 /nfs/dbraw/zinc/57/11/86/815571186.db2.gz POPYAAUXHHZDIV-AWEZNQCLSA-N 2 2 254.374 0.554 20 0 CCADLP CCOCCC[N@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001269357253 813338357 /nfs/dbraw/zinc/33/83/57/813338357.db2.gz ZBMRWIQKVVJLRB-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP C[N@@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001269840687 813526489 /nfs/dbraw/zinc/52/64/89/813526489.db2.gz IWTSNDLCTQGSRA-UHFFFAOYSA-N 2 2 262.357 0.827 20 0 CCADLP C[N@H+]1CCC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001269840687 813526494 /nfs/dbraw/zinc/52/64/94/813526494.db2.gz IWTSNDLCTQGSRA-UHFFFAOYSA-N 2 2 262.357 0.827 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCCO)CCN1C(=O)Cc1c[nH+]cn1C ZINC001269981684 813571519 /nfs/dbraw/zinc/57/15/19/813571519.db2.gz PHKWJGUKUCHYAV-OLZOCXBDSA-N 2 2 294.399 0.314 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]CCc1ccns1 ZINC001126448780 813640983 /nfs/dbraw/zinc/64/09/83/813640983.db2.gz YLDUPOUWGSVKGI-UHFFFAOYSA-N 2 2 293.396 0.747 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001075744221 813693703 /nfs/dbraw/zinc/69/37/03/813693703.db2.gz FYBAZIUOGZZNSS-RWMBFGLXSA-N 2 2 292.383 0.256 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001075744221 813693707 /nfs/dbraw/zinc/69/37/07/813693707.db2.gz FYBAZIUOGZZNSS-RWMBFGLXSA-N 2 2 292.383 0.256 20 0 CCADLP C[N@@H+]1CCC12CN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001270538208 813804378 /nfs/dbraw/zinc/80/43/78/813804378.db2.gz CWMDVJLLQVYNRR-UHFFFAOYSA-N 2 2 256.309 0.864 20 0 CCADLP C[N@H+]1CCC12CN(C(=O)c1ccn3c[nH+]cc3c1)C2 ZINC001270538208 813804386 /nfs/dbraw/zinc/80/43/86/813804386.db2.gz CWMDVJLLQVYNRR-UHFFFAOYSA-N 2 2 256.309 0.864 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NC1CC[NH+](CCCO)CC1 ZINC001227139113 814291091 /nfs/dbraw/zinc/29/10/91/814291091.db2.gz VWSQRNCQGIMSMQ-UHFFFAOYSA-N 2 2 280.372 0.305 20 0 CCADLP CC/C=C\CC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001271263744 814356899 /nfs/dbraw/zinc/35/68/99/814356899.db2.gz ZTUPFESKYTVFDD-WSNITJDQSA-N 2 2 295.427 0.600 20 0 CCADLP CC/C=C\CC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001271263744 814356910 /nfs/dbraw/zinc/35/69/10/814356910.db2.gz ZTUPFESKYTVFDD-WSNITJDQSA-N 2 2 295.427 0.600 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001088219673 814448241 /nfs/dbraw/zinc/44/82/41/814448241.db2.gz PWTDDAYNRBIOIG-MJBXVCDLSA-N 2 2 292.383 0.044 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001088219673 814448245 /nfs/dbraw/zinc/44/82/45/814448245.db2.gz PWTDDAYNRBIOIG-MJBXVCDLSA-N 2 2 292.383 0.044 20 0 CCADLP C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC001271975130 814658328 /nfs/dbraw/zinc/65/83/28/814658328.db2.gz CMJLWMOGDZEFLL-TUAOUCFPSA-N 2 2 251.374 0.774 20 0 CCADLP C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC001271975130 814658335 /nfs/dbraw/zinc/65/83/35/814658335.db2.gz CMJLWMOGDZEFLL-TUAOUCFPSA-N 2 2 251.374 0.774 20 0 CCADLP C[NH+]1C[C@H]2C[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC001271975130 814658340 /nfs/dbraw/zinc/65/83/40/814658340.db2.gz CMJLWMOGDZEFLL-TUAOUCFPSA-N 2 2 251.374 0.774 20 0 CCADLP C[NH+]1C[C@H]2C[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC001271975130 814658345 /nfs/dbraw/zinc/65/83/45/814658345.db2.gz CMJLWMOGDZEFLL-TUAOUCFPSA-N 2 2 251.374 0.774 20 0 CCADLP CC(C)=CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H]1C ZINC001088505976 814761985 /nfs/dbraw/zinc/76/19/85/814761985.db2.gz CFZRIKRSVMAOHK-QLFBSQMISA-N 2 2 295.427 0.862 20 0 CCADLP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@H]1C ZINC001088505976 814761988 /nfs/dbraw/zinc/76/19/88/814761988.db2.gz CFZRIKRSVMAOHK-QLFBSQMISA-N 2 2 295.427 0.862 20 0 CCADLP CC(C)=CC[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001088505976 814761991 /nfs/dbraw/zinc/76/19/91/814761991.db2.gz CFZRIKRSVMAOHK-QLFBSQMISA-N 2 2 295.427 0.862 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001045822616 816019588 /nfs/dbraw/zinc/01/95/88/816019588.db2.gz XGLVNVUECQMQEQ-KGLIPLIRSA-N 2 2 292.383 0.331 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001045822616 816019595 /nfs/dbraw/zinc/01/95/95/816019595.db2.gz XGLVNVUECQMQEQ-KGLIPLIRSA-N 2 2 292.383 0.331 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC1C[NH+](C[C@H]2CCCCO2)C1 ZINC001030683610 816215238 /nfs/dbraw/zinc/21/52/38/816215238.db2.gz RBGBIDCJXNOBPA-CQSZACIVSA-N 2 2 292.383 0.561 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC1C[NH+](C[C@H]2CCCOC2)C1 ZINC001030684448 816216802 /nfs/dbraw/zinc/21/68/02/816216802.db2.gz CFZZFMRWLYYZAL-CYBMUJFWSA-N 2 2 292.383 0.419 20 0 CCADLP C[C@H]([C@H](C)Nc1nccnc1C[NH3+])[NH+]1CCOCC1 ZINC001120812338 816227571 /nfs/dbraw/zinc/22/75/71/816227571.db2.gz RTTCPUVACOWDBB-WDEREUQCSA-N 2 2 265.361 0.456 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1C[C@H]1CCOC1 ZINC001089074548 816235562 /nfs/dbraw/zinc/23/55/62/816235562.db2.gz LEMBBIFPABDZKY-MCIONIFRSA-N 2 2 292.383 0.499 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1C[C@H]1CCOC1 ZINC001089074548 816235566 /nfs/dbraw/zinc/23/55/66/816235566.db2.gz LEMBBIFPABDZKY-MCIONIFRSA-N 2 2 292.383 0.499 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001030737682 816257670 /nfs/dbraw/zinc/25/76/70/816257670.db2.gz GVTOHRNJYROHJX-DOMZBBRYSA-N 2 2 295.427 0.696 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCC3CC3)C2)C1 ZINC001046219686 816444100 /nfs/dbraw/zinc/44/41/00/816444100.db2.gz PUNMVVVMGJVGIC-ZBFHGGJFSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCC3CC3)C2)C1 ZINC001046219686 816444104 /nfs/dbraw/zinc/44/41/04/816444104.db2.gz PUNMVVVMGJVGIC-ZBFHGGJFSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@]2(C)CC[N@H+](CCC3CC3)C2)C1 ZINC001046219686 816444108 /nfs/dbraw/zinc/44/41/08/816444108.db2.gz PUNMVVVMGJVGIC-ZBFHGGJFSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CCC3CC3)C2)C1 ZINC001046219686 816444114 /nfs/dbraw/zinc/44/41/14/816444114.db2.gz PUNMVVVMGJVGIC-ZBFHGGJFSA-N 2 2 295.427 0.698 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001030958336 816502865 /nfs/dbraw/zinc/50/28/65/816502865.db2.gz IWDKODPUTAQVJN-RYUDHWBXSA-N 2 2 269.389 0.164 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001030958336 816502868 /nfs/dbraw/zinc/50/28/68/816502868.db2.gz IWDKODPUTAQVJN-RYUDHWBXSA-N 2 2 269.389 0.164 20 0 CCADLP CCCCc1[nH]c(CN2CC[NH2+]C[C@H]2C(=O)OC)c[nH+]1 ZINC001236055539 817046786 /nfs/dbraw/zinc/04/67/86/817046786.db2.gz QNGDBANAJJKFGL-LBPRGKRZSA-N 2 2 280.372 0.699 20 0 CCADLP CCCCc1[nH]cc(CN2CC[NH2+]C[C@H]2C(=O)OC)[nH+]1 ZINC001236055539 817046790 /nfs/dbraw/zinc/04/67/90/817046790.db2.gz QNGDBANAJJKFGL-LBPRGKRZSA-N 2 2 280.372 0.699 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1C[NH+](CCCO)C1 ZINC001031432233 817051174 /nfs/dbraw/zinc/05/11/74/817051174.db2.gz YULBJABFYJKINY-VXGBXAGGSA-N 2 2 269.389 0.042 20 0 CCADLP C[NH+](C)Cc1ccccc1C(=O)NC1C[NH+](CCCO)C1 ZINC001031438230 817054134 /nfs/dbraw/zinc/05/41/34/817054134.db2.gz XXKGIHDGKBVFIS-UHFFFAOYSA-N 2 2 291.395 0.545 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](C[C@H](C)OC)C1 ZINC001031439457 817055951 /nfs/dbraw/zinc/05/59/51/817055951.db2.gz HNJGAFNPJDBRGM-GXTWGEPZSA-N 2 2 283.416 0.696 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](C[C@H](C)OC)C1 ZINC001031439457 817055957 /nfs/dbraw/zinc/05/59/57/817055957.db2.gz HNJGAFNPJDBRGM-GXTWGEPZSA-N 2 2 283.416 0.696 20 0 CCADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)on1 ZINC001031578503 817157020 /nfs/dbraw/zinc/15/70/20/817157020.db2.gz ZJHKUHYFIHUIMK-AWEZNQCLSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)on1 ZINC001031578503 817157023 /nfs/dbraw/zinc/15/70/23/817157023.db2.gz ZJHKUHYFIHUIMK-AWEZNQCLSA-N 2 2 292.383 0.625 20 0 CCADLP O=C(NCC1C[NH+](CCF)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001031675639 817237168 /nfs/dbraw/zinc/23/71/68/817237168.db2.gz PKFTYPVYHQGQRK-CYBMUJFWSA-N 2 2 269.364 0.346 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C[C@H]1[NH3+] ZINC001236346449 817273151 /nfs/dbraw/zinc/27/31/51/817273151.db2.gz YUYHHIKLFQTUAQ-ZOLYEBIHSA-N 2 2 250.342 0.631 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C[C@H]1[NH3+] ZINC001236346449 817273160 /nfs/dbraw/zinc/27/31/60/817273160.db2.gz YUYHHIKLFQTUAQ-ZOLYEBIHSA-N 2 2 250.342 0.631 20 0 CCADLP CC(C)[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001031747360 817333246 /nfs/dbraw/zinc/33/32/46/817333246.db2.gz PEXPPGATYZGOTK-VXGBXAGGSA-N 2 2 262.357 0.970 20 0 CCADLP CC(C)[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001031747360 817333253 /nfs/dbraw/zinc/33/32/53/817333253.db2.gz PEXPPGATYZGOTK-VXGBXAGGSA-N 2 2 262.357 0.970 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000446259157 817346480 /nfs/dbraw/zinc/34/64/80/817346480.db2.gz SZRFXRGWEQSEAG-VIFPVBQESA-N 2 2 274.328 0.070 20 0 CCADLP CC(C)[C@@](C)(C[NH3+])[NH2+][C@H]1CCN(C2CCOCC2)C1=O ZINC000447960586 817678450 /nfs/dbraw/zinc/67/84/50/817678450.db2.gz ALCQNHGNNOJCRL-DZGCQCFKSA-N 2 2 283.416 0.729 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccns3)C2)C1 ZINC001032185737 817683989 /nfs/dbraw/zinc/68/39/89/817683989.db2.gz BMHCJMCNCOEOIZ-LBPRGKRZSA-N 2 2 294.424 0.643 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccns3)C2)C1 ZINC001032185737 817683990 /nfs/dbraw/zinc/68/39/90/817683990.db2.gz BMHCJMCNCOEOIZ-LBPRGKRZSA-N 2 2 294.424 0.643 20 0 CCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CCCF ZINC001107079377 817717602 /nfs/dbraw/zinc/71/76/02/817717602.db2.gz ZWTBTTRVQPLMBJ-CHWSQXEVSA-N 2 2 282.363 0.927 20 0 CCADLP Cc1nc(NC/C=C/CNC(=O)[C@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001107199162 817805490 /nfs/dbraw/zinc/80/54/90/817805490.db2.gz BNSAOAOJGWMBME-OOPCZODUSA-N 2 2 289.383 0.821 20 0 CCADLP Cc1nc(NC/C=C/CNC(=O)[C@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001107199162 817805498 /nfs/dbraw/zinc/80/54/98/817805498.db2.gz BNSAOAOJGWMBME-OOPCZODUSA-N 2 2 289.383 0.821 20 0 CCADLP CC[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC000996458330 817810423 /nfs/dbraw/zinc/81/04/23/817810423.db2.gz UMYGXWPPXNNSLQ-JTQLQIEISA-N 2 2 250.346 0.799 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@]12CCC[C@H]1[N@H+](CCO)CC2 ZINC001107590704 817888986 /nfs/dbraw/zinc/88/89/86/817888986.db2.gz GJQSJPHQNNHHQO-IUODEOHRSA-N 2 2 292.383 0.305 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@]12CCC[C@H]1[N@@H+](CCO)CC2 ZINC001107590704 817888991 /nfs/dbraw/zinc/88/89/91/817888991.db2.gz GJQSJPHQNNHHQO-IUODEOHRSA-N 2 2 292.383 0.305 20 0 CCADLP CC[NH2+][C@@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C12CCC2 ZINC001078782681 818051876 /nfs/dbraw/zinc/05/18/76/818051876.db2.gz DWGMQFFEVDSOFL-CHWSQXEVSA-N 2 2 276.384 1.000 20 0 CCADLP CC[NH2+][C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001078825597 818057933 /nfs/dbraw/zinc/05/79/33/818057933.db2.gz DMDQBBNORVAJBS-NEPJUHHUSA-N 2 2 262.357 0.920 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cc3c(cn2)CC(=O)N3)CC1 ZINC001168735445 818536497 /nfs/dbraw/zinc/53/64/97/818536497.db2.gz PIRINQZRKHHLIU-UHFFFAOYSA-N 2 2 274.328 0.170 20 0 CCADLP CCc1nnc2ccc(NC(=[NH2+])N3CC[NH+](C)CC3)cn21 ZINC001168736069 818541636 /nfs/dbraw/zinc/54/16/36/818541636.db2.gz ARGCCTLMTNVBAZ-UHFFFAOYSA-N 2 2 287.371 0.886 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(C(N)=S)cc2)CC1 ZINC001168741342 818611500 /nfs/dbraw/zinc/61/15/00/818611500.db2.gz YHSGIKINVJCGMR-UHFFFAOYSA-N 2 2 277.397 0.915 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cncc3nnoc32)CC1 ZINC001168746233 818627273 /nfs/dbraw/zinc/62/72/73/818627273.db2.gz GFWXPRNSMKGSDU-UHFFFAOYSA-N 2 2 261.289 0.212 20 0 CCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001033221639 818659152 /nfs/dbraw/zinc/65/91/52/818659152.db2.gz WOKJIJWOHXOFBI-NSHDSACASA-N 2 2 280.372 0.902 20 0 CCADLP CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001033221639 818659155 /nfs/dbraw/zinc/65/91/55/818659155.db2.gz WOKJIJWOHXOFBI-NSHDSACASA-N 2 2 280.372 0.902 20 0 CCADLP CN(C)C(=O)CN1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000700786612 818841867 /nfs/dbraw/zinc/84/18/67/818841867.db2.gz RZHHYTDJEFWONW-AWEZNQCLSA-N 2 2 282.432 0.082 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033591575 818841899 /nfs/dbraw/zinc/84/18/99/818841899.db2.gz VHJADJXCGGTXLF-OLZOCXBDSA-N 2 2 294.399 0.530 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033591575 818841902 /nfs/dbraw/zinc/84/19/02/818841902.db2.gz VHJADJXCGGTXLF-OLZOCXBDSA-N 2 2 294.399 0.530 20 0 CCADLP CC[NH+](CC)CC(=O)NCCC[NH2+][C@H](C)c1noc(C)n1 ZINC001168755715 819285824 /nfs/dbraw/zinc/28/58/24/819285824.db2.gz QVNHGUYOSCILAC-LLVKDONJSA-N 2 2 297.403 0.877 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705701701 819545577 /nfs/dbraw/zinc/54/55/77/819545577.db2.gz HFYOTNBYXBJYFX-QEJZJMRPSA-N 2 2 284.400 0.574 20 0 CCADLP CC(C)=CC[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001035612628 819590026 /nfs/dbraw/zinc/59/00/26/819590026.db2.gz FHFFKUXMYAEJKP-LSDHHAIUSA-N 2 2 295.427 0.721 20 0 CCADLP CC(C)=CC[NH+]1CCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001035612628 819590029 /nfs/dbraw/zinc/59/00/29/819590029.db2.gz FHFFKUXMYAEJKP-LSDHHAIUSA-N 2 2 295.427 0.721 20 0 CCADLP CC(C)=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001035612628 819590033 /nfs/dbraw/zinc/59/00/33/819590033.db2.gz FHFFKUXMYAEJKP-LSDHHAIUSA-N 2 2 295.427 0.721 20 0 CCADLP CC(C)=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001035612628 819590038 /nfs/dbraw/zinc/59/00/38/819590038.db2.gz FHFFKUXMYAEJKP-LSDHHAIUSA-N 2 2 295.427 0.721 20 0 CCADLP C[NH+](C)CC1(O)CC[NH+](CC(=O)NCC(F)(F)F)CC1 ZINC000710576442 819857036 /nfs/dbraw/zinc/85/70/36/819857036.db2.gz VIHCKOPRXFAQBA-UHFFFAOYSA-N 2 2 297.321 0.053 20 0 CCADLP COC1(OC)CC[C@@H]1[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000711041928 819877929 /nfs/dbraw/zinc/87/79/29/819877929.db2.gz OUMVMBMURNQJSE-XQQFMLRXSA-N 2 2 270.373 0.591 20 0 CCADLP COC1(OC)CC[C@@H]1[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000711041928 819877937 /nfs/dbraw/zinc/87/79/37/819877937.db2.gz OUMVMBMURNQJSE-XQQFMLRXSA-N 2 2 270.373 0.591 20 0 CCADLP C[C@@H]1C[N@H+](Cc2ccon2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001080934973 820658516 /nfs/dbraw/zinc/65/85/16/820658516.db2.gz HMIYUSRLEDXCRQ-YRGRVCCFSA-N 2 2 292.383 0.563 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2ccon2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001080934973 820658520 /nfs/dbraw/zinc/65/85/20/820658520.db2.gz HMIYUSRLEDXCRQ-YRGRVCCFSA-N 2 2 292.383 0.563 20 0 CCADLP C[C@@H]1C[NH+](Cc2ccon2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001080934973 820658523 /nfs/dbraw/zinc/65/85/23/820658523.db2.gz HMIYUSRLEDXCRQ-YRGRVCCFSA-N 2 2 292.383 0.563 20 0 CCADLP C[C@@H]1C[NH+](Cc2ccon2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001080934973 820658527 /nfs/dbraw/zinc/65/85/27/820658527.db2.gz HMIYUSRLEDXCRQ-YRGRVCCFSA-N 2 2 292.383 0.563 20 0 CCADLP CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H](OC)C1 ZINC001081870756 820848697 /nfs/dbraw/zinc/84/86/97/820848697.db2.gz LPBLYYZAGHCCNE-YNEHKIRRSA-N 2 2 292.383 0.281 20 0 CCADLP CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H](OC)C1 ZINC001081870756 820848709 /nfs/dbraw/zinc/84/87/09/820848709.db2.gz LPBLYYZAGHCCNE-YNEHKIRRSA-N 2 2 292.383 0.281 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCF)C1 ZINC001082795722 821033762 /nfs/dbraw/zinc/03/37/62/821033762.db2.gz DQIDJYYNGBLGEH-NQBHXWOUSA-N 2 2 282.363 0.994 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCF)C1 ZINC001082795722 821033769 /nfs/dbraw/zinc/03/37/69/821033769.db2.gz DQIDJYYNGBLGEH-NQBHXWOUSA-N 2 2 282.363 0.994 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](CCCF)C[C@H]32)C1 ZINC001084251730 821240920 /nfs/dbraw/zinc/24/09/20/821240920.db2.gz YYZAZYZAIQVGLL-MCIONIFRSA-N 2 2 299.390 0.209 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](CCCF)C[C@H]32)C1 ZINC001084251730 821240924 /nfs/dbraw/zinc/24/09/24/821240924.db2.gz YYZAZYZAIQVGLL-MCIONIFRSA-N 2 2 299.390 0.209 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@H+](CCCF)C[C@H]32)C1 ZINC001084251730 821240929 /nfs/dbraw/zinc/24/09/29/821240929.db2.gz YYZAZYZAIQVGLL-MCIONIFRSA-N 2 2 299.390 0.209 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCCF)C[C@H]32)C1 ZINC001084251730 821240935 /nfs/dbraw/zinc/24/09/35/821240935.db2.gz YYZAZYZAIQVGLL-MCIONIFRSA-N 2 2 299.390 0.209 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@H]2CC[N@H+](CC3CC3)C[C@H]21 ZINC001084687279 821350671 /nfs/dbraw/zinc/35/06/71/821350671.db2.gz UTJIQLLWGWNNTC-TZMCWYRMSA-N 2 2 274.368 0.895 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@H]2CC[N@@H+](CC3CC3)C[C@H]21 ZINC001084687279 821350678 /nfs/dbraw/zinc/35/06/78/821350678.db2.gz UTJIQLLWGWNNTC-TZMCWYRMSA-N 2 2 274.368 0.895 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001085044047 821469563 /nfs/dbraw/zinc/46/95/63/821469563.db2.gz WUVWAKKDUIESPB-SCRDCRAPSA-N 2 2 292.383 0.256 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001085044047 821469565 /nfs/dbraw/zinc/46/95/65/821469565.db2.gz WUVWAKKDUIESPB-SCRDCRAPSA-N 2 2 292.383 0.256 20 0 CCADLP NC(=O)c1cncc(-n2c[nH+]cc2C2CC[NH2+]CC2)n1 ZINC001155057397 821988194 /nfs/dbraw/zinc/98/81/94/821988194.db2.gz GPDUGOOKRFTZRC-UHFFFAOYSA-N 2 2 272.312 0.228 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]CCNC(=O)C[N@H+](C)C2CCC2)n1 ZINC001129535289 837529087 /nfs/dbraw/zinc/52/90/87/837529087.db2.gz NOINFXBLCOIRJV-SNVBAGLBSA-N 2 2 295.387 0.629 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]CCNC(=O)C[N@@H+](C)C2CCC2)n1 ZINC001129535289 837529093 /nfs/dbraw/zinc/52/90/93/837529093.db2.gz NOINFXBLCOIRJV-SNVBAGLBSA-N 2 2 295.387 0.629 20 0 CCADLP CC(C)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129900577 837583108 /nfs/dbraw/zinc/58/31/08/837583108.db2.gz IFKCZFIBJJLUMV-GHMZBOCLSA-N 2 2 250.346 0.875 20 0 CCADLP CC(C)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129900577 837583110 /nfs/dbraw/zinc/58/31/10/837583110.db2.gz IFKCZFIBJJLUMV-GHMZBOCLSA-N 2 2 250.346 0.875 20 0 CCADLP C[C@]1(CO)CCCN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001157899687 837600957 /nfs/dbraw/zinc/60/09/57/837600957.db2.gz BJRSPHLODQSQFA-OCCSQVGLSA-N 2 2 280.372 0.291 20 0 CCADLP C[C@@H](CCCC[NH2+]CCCO)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170483223 837738380 /nfs/dbraw/zinc/73/83/80/837738380.db2.gz KLKUQBFWOCKZSR-ZDUSSCGKSA-N 2 2 296.415 0.989 20 0 CCADLP O=C(NCC[NH2+]CCF)[C@H]1CCn2c[nH+]cc2C1 ZINC001130405180 837786798 /nfs/dbraw/zinc/78/67/98/837786798.db2.gz YTIIWNPSYGQIPB-JTQLQIEISA-N 2 2 254.309 0.121 20 0 CCADLP CC(C)OCC[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130406841 837787222 /nfs/dbraw/zinc/78/72/22/837787222.db2.gz GZJRJCDWRMCNFO-CYBMUJFWSA-N 2 2 294.399 0.576 20 0 CCADLP CC[C@H](C[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)OC ZINC001130488158 837810232 /nfs/dbraw/zinc/81/02/32/837810232.db2.gz NHIUXQSGBYCZDC-GXTWGEPZSA-N 2 2 294.399 0.576 20 0 CCADLP COC[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130481178 837806188 /nfs/dbraw/zinc/80/61/88/837806188.db2.gz MGUCJLXTBLOAPR-NEPJUHHUSA-N 2 2 280.372 0.186 20 0 CCADLP O=C(NCC[NH2+]C/C=C/Cl)[C@H]1CCn2cc[nH+]c2C1 ZINC001130485076 837808852 /nfs/dbraw/zinc/80/88/52/837808852.db2.gz ZUSAKBCQDAAQQO-VEPLAOFISA-N 2 2 282.775 0.904 20 0 CCADLP O=C(NCC[NH2+]C/C=C/Cl)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130488690 837811792 /nfs/dbraw/zinc/81/17/92/837811792.db2.gz UXHTYCJFLCOLAW-CLUFZFBRSA-N 2 2 282.775 0.904 20 0 CCADLP CC[C@H](F)C[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130487602 837812102 /nfs/dbraw/zinc/81/21/02/837812102.db2.gz HXTBAEYQWWDRRJ-RYUDHWBXSA-N 2 2 282.363 0.899 20 0 CCADLP C[N@H+]1C[C@H]2CN(C(=O)CCc3ccc(N)[nH+]c3)C[C@H]2C1 ZINC001183933931 844112228 /nfs/dbraw/zinc/11/22/28/844112228.db2.gz WVOXZFWLGMYWQI-BETUJISGSA-N 2 2 274.368 0.616 20 0 CCADLP C[N@@H+]1C[C@H]2CN(C(=O)CCc3ccc(N)[nH+]c3)C[C@H]2C1 ZINC001183933931 844112239 /nfs/dbraw/zinc/11/22/39/844112239.db2.gz WVOXZFWLGMYWQI-BETUJISGSA-N 2 2 274.368 0.616 20 0 CCADLP CCC[N@H+]1CCO[C@](C)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001108401815 836016372 /nfs/dbraw/zinc/01/63/72/836016372.db2.gz UYKFOIPWDUKOIE-OAHLLOKOSA-N 2 2 294.399 0.809 20 0 CCADLP NC(=O)c1c(F)cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cc1F ZINC001169076762 836116547 /nfs/dbraw/zinc/11/65/47/836116547.db2.gz XQQZWWPISYHOSG-SSDOTTSWSA-N 2 2 296.277 0.112 20 0 CCADLP CC(C)c1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1 ZINC001169066459 836122781 /nfs/dbraw/zinc/12/27/81/836122781.db2.gz DBPHOYMXLBQSGL-LLVKDONJSA-N 2 2 261.329 0.648 20 0 CCADLP CC(C)Oc1ccnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169071228 836123794 /nfs/dbraw/zinc/12/37/94/836123794.db2.gz IFINFUOPKOQBST-SNVBAGLBSA-N 2 2 277.328 0.312 20 0 CCADLP COc1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c2[nH]ccc21 ZINC001169072490 836125173 /nfs/dbraw/zinc/12/51/73/836125173.db2.gz TUKNWKZJIUQDQF-SECBINFHSA-N 2 2 287.323 0.619 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2c(n1)CCOC2 ZINC001169072770 836125360 /nfs/dbraw/zinc/12/53/60/836125360.db2.gz XUBVNRJQXXBTJG-LLVKDONJSA-N 2 2 274.324 0.202 20 0 CCADLP CC(C)Oc1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cn1 ZINC001169074270 836126559 /nfs/dbraw/zinc/12/65/59/836126559.db2.gz IJBWNOYZUDFTKT-SNVBAGLBSA-N 2 2 277.328 0.312 20 0 CCADLP Cc1cc(-n2cncc2C[C@@H]([NH3+])CO)c2[nH+]ccn2c1 ZINC001169074517 836127074 /nfs/dbraw/zinc/12/70/74/836127074.db2.gz QJDXSOHRZVLAIC-LLVKDONJSA-N 2 2 271.324 0.691 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2[nH]cnc2c1F ZINC001169075647 836128361 /nfs/dbraw/zinc/12/83/61/836128361.db2.gz UDMLVGRPEFJOMJ-MRVPVSSYSA-N 2 2 275.287 0.750 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c[nH+]cc1C[C@@H]([NH3+])CO)C2 ZINC001169100490 836132963 /nfs/dbraw/zinc/13/29/63/836132963.db2.gz JWYPROLQUAWJDB-NDBYEHHHSA-N 3 2 264.373 0.543 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1c[nH+]cc1C[C@@H]([NH3+])CO)C2 ZINC001169100490 836132966 /nfs/dbraw/zinc/13/29/66/836132966.db2.gz JWYPROLQUAWJDB-NDBYEHHHSA-N 3 2 264.373 0.543 20 0 CCADLP CC[C@@H](F)C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169203719 836158723 /nfs/dbraw/zinc/15/87/23/836158723.db2.gz APHAZPKJVPXADC-SNVBAGLBSA-N 2 2 256.325 0.796 20 0 CCADLP CCN(CC)C(=O)C[C@@H](C)[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001169488091 836320519 /nfs/dbraw/zinc/32/05/19/836320519.db2.gz XCGMYSVTDIUAKS-CQSZACIVSA-N 2 2 296.459 0.565 20 0 CCADLP COC(=O)Cc1cc(NC[C@H]2COCC[N@@H+]2C)cc[nH+]1 ZINC001169656112 836411012 /nfs/dbraw/zinc/41/10/12/836411012.db2.gz LDYNZNFCCNTRBX-ZDUSSCGKSA-N 2 2 279.340 0.540 20 0 CCADLP COC(=O)Cc1cc(NC[C@H]2COCC[N@H+]2C)cc[nH+]1 ZINC001169656112 836411019 /nfs/dbraw/zinc/41/10/19/836411019.db2.gz LDYNZNFCCNTRBX-ZDUSSCGKSA-N 2 2 279.340 0.540 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNc1c[nH+]c2c(c1)CCCN2 ZINC001169661515 836416386 /nfs/dbraw/zinc/41/63/86/836416386.db2.gz ZFGZEFJSTNKOTK-ZDUSSCGKSA-N 2 2 262.357 0.470 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNc1c[nH+]c2c(c1)CCCN2 ZINC001169661515 836416390 /nfs/dbraw/zinc/41/63/90/836416390.db2.gz ZFGZEFJSTNKOTK-ZDUSSCGKSA-N 2 2 262.357 0.470 20 0 CCADLP COCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1)C2 ZINC001108835445 836538650 /nfs/dbraw/zinc/53/86/50/836538650.db2.gz QNFSJDAEECNSBW-IHRRRGAJSA-N 2 2 292.383 0.499 20 0 CCADLP CCOCCC[NH+]1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001113172885 837045076 /nfs/dbraw/zinc/04/50/76/837045076.db2.gz WYZGFKUVEMGFJL-UHFFFAOYSA-N 2 2 294.399 0.844 20 0 CCADLP CCOCCC[NH+]1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001113583288 837168276 /nfs/dbraw/zinc/16/82/76/837168276.db2.gz CWZRHVFBRRCMQG-UHFFFAOYSA-N 2 2 294.399 0.831 20 0 CCADLP COC1(C)CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC1 ZINC001157688525 837241386 /nfs/dbraw/zinc/24/13/86/837241386.db2.gz HDOJHVIPTDWHAN-GYSYKLTISA-N 2 2 267.373 0.236 20 0 CCADLP CN(C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)[C@H]1CC[C@H](O)CC1 ZINC001157989733 837845370 /nfs/dbraw/zinc/84/53/70/837845370.db2.gz RGVQAFFVTJNNJC-IJLUTSLNSA-N 2 2 266.345 0.041 20 0 CCADLP CC[C@@H](F)C[NH2+]CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001130645342 837881810 /nfs/dbraw/zinc/88/18/10/837881810.db2.gz HRNXKHSJXWSGSY-SNVBAGLBSA-N 2 2 286.351 0.804 20 0 CCADLP C[C@H](O)CCC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001184710024 844275224 /nfs/dbraw/zinc/27/52/24/844275224.db2.gz NMUAHFMNBVVFOL-UONOGXRCSA-N 2 2 294.399 0.625 20 0 CCADLP Cn1nccc1C[NH2+]CCNC(=O)c1cccc2[nH+]ccn21 ZINC001131270184 838029334 /nfs/dbraw/zinc/02/93/34/838029334.db2.gz FJGWSVXDASYARO-UHFFFAOYSA-N 2 2 298.350 0.587 20 0 CCADLP C[C@H](Nc1[nH+]cnc2[nH]cc(F)c21)[C@@H]1C[NH2+]CCO1 ZINC001170558857 838079291 /nfs/dbraw/zinc/07/92/91/838079291.db2.gz RSNYIRFNJVQZLD-CBAPKCEASA-N 2 2 265.292 0.886 20 0 CCADLP COC(=O)c1c(OC)cc[nH+]c1N[C@H](C)[C@H]1C[NH2+]CCO1 ZINC001170564656 838116150 /nfs/dbraw/zinc/11/61/50/838116150.db2.gz QYQIJAPIPZCVHZ-MWLCHTKSSA-N 2 2 295.339 0.666 20 0 CCADLP COC(=O)c1[nH+]ccc(N[C@H](C)[C@@H]2C[NH2+]CCO2)c1C ZINC001170568303 838134215 /nfs/dbraw/zinc/13/42/15/838134215.db2.gz GCXRSWNUWLFZGJ-PWSUYJOCSA-N 2 2 279.340 0.387 20 0 CCADLP Cc1ncccc1C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132079798 838313512 /nfs/dbraw/zinc/31/35/12/838313512.db2.gz NCQLWWONLRXWIO-UHFFFAOYSA-N 2 2 287.367 0.883 20 0 CCADLP CCCC[C@@H]([NH2+]CCNC(=O)CCn1cc[nH+]c1)C(N)=O ZINC001132082462 838315337 /nfs/dbraw/zinc/31/53/37/838315337.db2.gz PMHMQQAFVGZNJF-GFCCVEGCSA-N 2 2 295.387 0.023 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[N@@H+]1CCCO ZINC001132221261 838340157 /nfs/dbraw/zinc/34/01/57/838340157.db2.gz DXNBROFTJCHYTD-KBPBESRZSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[N@H+]1CCCO ZINC001132221261 838340162 /nfs/dbraw/zinc/34/01/62/838340162.db2.gz DXNBROFTJCHYTD-KBPBESRZSA-N 2 2 294.399 0.625 20 0 CCADLP Cc1nonc1C[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132280450 838350245 /nfs/dbraw/zinc/35/02/45/838350245.db2.gz JJUYFWRTIPGAGM-UHFFFAOYSA-N 2 2 295.387 0.458 20 0 CCADLP C[NH+](C)CCC(=O)NCC[NH2+]Cc1nnc(C(C)(C)C)o1 ZINC001133291463 838591139 /nfs/dbraw/zinc/59/11/39/838591139.db2.gz QQMHYHPYTILXPN-UHFFFAOYSA-N 2 2 297.403 0.525 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)CC[NH+](C)C)o1 ZINC001133291774 838591363 /nfs/dbraw/zinc/59/13/63/838591363.db2.gz ZQLZXQGUAGPEPZ-VIFPVBQESA-N 2 2 269.349 0.097 20 0 CCADLP Cc1cnc([C@H](C)[NH2+]CCNC(=O)CC[NH+](C)C)o1 ZINC001133297193 838595591 /nfs/dbraw/zinc/59/55/91/838595591.db2.gz JGQBHXJKYQNSGT-NSHDSACASA-N 2 2 268.361 0.702 20 0 CCADLP CC[C@@H](C(=O)NCC[NH2+]Cc1nncs1)[NH+](CC)CC ZINC001133690932 838697054 /nfs/dbraw/zinc/69/70/54/838697054.db2.gz XCMGAXKNDNTOIF-NSHDSACASA-N 2 2 299.444 0.864 20 0 CCADLP Cc1nonc1C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133833646 838734519 /nfs/dbraw/zinc/73/45/19/838734519.db2.gz BGSGYVVZDLVJIP-SNVBAGLBSA-N 2 2 281.360 0.068 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)o1 ZINC001133865261 838756042 /nfs/dbraw/zinc/75/60/42/838756042.db2.gz BLDUHDBCGHOPPE-DGCLKSJQSA-N 2 2 294.399 0.641 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)o1 ZINC001133865261 838756049 /nfs/dbraw/zinc/75/60/49/838756049.db2.gz BLDUHDBCGHOPPE-DGCLKSJQSA-N 2 2 294.399 0.641 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)C[N@@H+]2CCC(C)(C)C2)[nH]1 ZINC001133896943 838770105 /nfs/dbraw/zinc/77/01/05/838770105.db2.gz WSCIBJMFAAJLJX-UHFFFAOYSA-N 2 2 294.403 0.051 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)C[N@H+]2CCC(C)(C)C2)[nH]1 ZINC001133896943 838770112 /nfs/dbraw/zinc/77/01/12/838770112.db2.gz WSCIBJMFAAJLJX-UHFFFAOYSA-N 2 2 294.403 0.051 20 0 CCADLP CC[C@@H](C(=O)NCC[NH2+]Cc1ncc(C)cn1)[NH+](C)C ZINC001133963762 838795424 /nfs/dbraw/zinc/79/54/24/838795424.db2.gz ZOBUBFJEAABYDW-LBPRGKRZSA-N 2 2 279.388 0.331 20 0 CCADLP CCOCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134045332 838842548 /nfs/dbraw/zinc/84/25/48/838842548.db2.gz BSRPBFOYWGAJCC-VXGBXAGGSA-N 2 2 280.372 0.266 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CC[C@@H]1CCCCO1 ZINC001134393004 838965726 /nfs/dbraw/zinc/96/57/26/838965726.db2.gz FZOCYMYOQUSWRV-ZDUSSCGKSA-N 2 2 280.372 0.617 20 0 CCADLP C[C@@H](CC(=O)NCC[NH2+]CC[C@H]1CCOC1)n1cc[nH+]c1 ZINC001134499217 838994526 /nfs/dbraw/zinc/99/45/26/838994526.db2.gz YRIIWDJPFOWWJE-KBPBESRZSA-N 2 2 294.399 0.967 20 0 CCADLP Cc1[nH+]cn(-c2ccc(N[C@H]3C[NH2+]C[C@@H]3CO)nn2)c1C ZINC001170777130 839101071 /nfs/dbraw/zinc/10/10/71/839101071.db2.gz HLWRRLLKMMAFBL-NEPJUHHUSA-N 2 2 288.355 0.271 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]Cc1cccnc1 ZINC001135075484 839151158 /nfs/dbraw/zinc/15/11/58/839151158.db2.gz MEPWUAJPUNOKFH-GFCCVEGCSA-N 2 2 287.367 0.889 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]Cc1cccnc1 ZINC001135075484 839151164 /nfs/dbraw/zinc/15/11/64/839151164.db2.gz MEPWUAJPUNOKFH-GFCCVEGCSA-N 2 2 287.367 0.889 20 0 CCADLP C[NH+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC001185416360 844417011 /nfs/dbraw/zinc/41/70/11/844417011.db2.gz TWCQZABVFWRPLB-SNVBAGLBSA-N 2 2 283.401 0.180 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CC[C@H]1CCCO1 ZINC001135757811 839392719 /nfs/dbraw/zinc/39/27/19/839392719.db2.gz QTAIABZXMYGOQZ-LLVKDONJSA-N 2 2 266.345 0.227 20 0 CCADLP CCOCCC[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135760941 839394891 /nfs/dbraw/zinc/39/48/91/839394891.db2.gz WQUCOUCNKOWQSW-UHFFFAOYSA-N 2 2 254.334 0.085 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CC[C@H]1CCCCO1 ZINC001135758093 839395726 /nfs/dbraw/zinc/39/57/26/839395726.db2.gz YHXLUTIINQRFDH-GFCCVEGCSA-N 2 2 280.372 0.617 20 0 CCADLP CC[C@@]([NH3+])(CO)Nc1ccc(-n2c[nH+]c(C)c2C)nn1 ZINC001170856589 839430285 /nfs/dbraw/zinc/43/02/85/839430285.db2.gz DRHUFDXPWKQGKX-ZDUSSCGKSA-N 2 2 276.344 0.748 20 0 CCADLP [NH3+]CCC[C@H]([NH3+])Nc1cc[nH+]c(N2CCCC2)n1 ZINC001170897435 839542593 /nfs/dbraw/zinc/54/25/93/839542593.db2.gz HQTPTKMAIQKAQS-SNVBAGLBSA-N 3 2 250.350 0.512 20 0 CCADLP CS(=O)(=O)C1CCC([NH2+][C@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001246088443 839601359 /nfs/dbraw/zinc/60/13/59/839601359.db2.gz UQWKUXBRUGDTFK-HCWSGVFWSA-N 2 2 278.393 0.632 20 0 CCADLP COCC[N@@H+]1CCC[C@@]12CCN(Cc1c[nH+]cn1C)C2=O ZINC001273509512 844460278 /nfs/dbraw/zinc/46/02/78/844460278.db2.gz WCLPOYUPGWZFEG-HNNXBMFYSA-N 2 2 292.383 0.633 20 0 CCADLP COCC[N@H+]1CCC[C@@]12CCN(Cc1c[nH+]cn1C)C2=O ZINC001273509512 844460284 /nfs/dbraw/zinc/46/02/84/844460284.db2.gz WCLPOYUPGWZFEG-HNNXBMFYSA-N 2 2 292.383 0.633 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[N@@H+](CC2CCC2)C[C@@H]1O ZINC001090679547 839731892 /nfs/dbraw/zinc/73/18/92/839731892.db2.gz OPIUQEYVCNIXAH-STQMWFEESA-N 2 2 292.383 0.304 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[N@H+](CC2CCC2)C[C@@H]1O ZINC001090679547 839731897 /nfs/dbraw/zinc/73/18/97/839731897.db2.gz OPIUQEYVCNIXAH-STQMWFEESA-N 2 2 292.383 0.304 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](C(C)C)C[C@H]1O ZINC001090766029 839788743 /nfs/dbraw/zinc/78/87/43/839788743.db2.gz ZWLMHHOWMDYELI-DGCLKSJQSA-N 2 2 280.372 0.220 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](C(C)C)C[C@H]1O ZINC001090766029 839788756 /nfs/dbraw/zinc/78/87/56/839788756.db2.gz ZWLMHHOWMDYELI-DGCLKSJQSA-N 2 2 280.372 0.220 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CCC2(C)C)CN1 ZINC001246323826 839793891 /nfs/dbraw/zinc/79/38/91/839793891.db2.gz CDSREYPIEKJGTD-RWMBFGLXSA-N 2 2 283.416 0.648 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+](CC2CCC2)C[C@H]1O ZINC001090846663 839850772 /nfs/dbraw/zinc/85/07/72/839850772.db2.gz HOFDHGFUSBCXFE-UONOGXRCSA-N 2 2 292.383 0.235 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+](CC2CCC2)C[C@H]1O ZINC001090846663 839850783 /nfs/dbraw/zinc/85/07/83/839850783.db2.gz HOFDHGFUSBCXFE-UONOGXRCSA-N 2 2 292.383 0.235 20 0 CCADLP c1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1)CS2 ZINC001246490232 839871049 /nfs/dbraw/zinc/87/10/49/839871049.db2.gz OZEUXFNORXDAMZ-STQMWFEESA-N 2 2 263.410 0.854 20 0 CCADLP NC1=CC=C(C2CC[NH+]([C@@H]3CCC[NH2+]C3)CC2)[NH2+]C1 ZINC001246492884 839872587 /nfs/dbraw/zinc/87/25/87/839872587.db2.gz DPBSCDOGSJUHCK-CQSZACIVSA-N 3 2 262.401 0.780 20 0 CCADLP C[C@H](CCCC[NH2+]CCO)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171151647 839980659 /nfs/dbraw/zinc/98/06/59/839980659.db2.gz JEIBPMDEJBGYIV-GFCCVEGCSA-N 2 2 282.388 0.599 20 0 CCADLP C[C@H](CCCC[NH2+]CCO)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171151647 839980663 /nfs/dbraw/zinc/98/06/63/839980663.db2.gz JEIBPMDEJBGYIV-GFCCVEGCSA-N 2 2 282.388 0.599 20 0 CCADLP C[NH+](C)CCCN1CC[NH+](Cc2ccc(O)cn2)CC1 ZINC001144265581 839992450 /nfs/dbraw/zinc/99/24/50/839992450.db2.gz QGMBGPWFDIBXCN-UHFFFAOYSA-N 2 2 278.400 0.857 20 0 CCADLP [NH3+][C@@H]1C[N@@H+](C2CCC3(CCC[NH2+]C3)CC2)C[C@H]1O ZINC001246556745 840002732 /nfs/dbraw/zinc/00/27/32/840002732.db2.gz JQWQMLVINNLOCN-CEUNDQEZSA-N 3 2 253.390 0.303 20 0 CCADLP [NH3+][C@@H]1C[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C[C@H]1O ZINC001246556745 840002742 /nfs/dbraw/zinc/00/27/42/840002742.db2.gz JQWQMLVINNLOCN-CEUNDQEZSA-N 3 2 253.390 0.303 20 0 CCADLP C[C@H]1C[C@H]([NH+]2CCN(c3cccnn3)CC2)CC[NH2+]1 ZINC001246813713 840259887 /nfs/dbraw/zinc/25/98/87/840259887.db2.gz PDACKUGZKFQYRA-QWHCGFSZSA-N 2 2 261.373 0.739 20 0 CCADLP COC(=O)[C@@H]1COCCC12C[NH+](C1CC[NH2+]CC1)C2 ZINC001246856469 840318157 /nfs/dbraw/zinc/31/81/57/840318157.db2.gz XMKVBMLQSIGOLK-LBPRGKRZSA-N 2 2 268.357 0.250 20 0 CCADLP C[C@@H]1CC[C@@H]([NH+]2CCC3(CCC(=O)N3)CC2)C[NH2+]1 ZINC001246970169 840649773 /nfs/dbraw/zinc/64/97/73/840649773.db2.gz XTOSWGALWHHMJO-VXGBXAGGSA-N 2 2 251.374 0.872 20 0 CCADLP C[C@@H]1CC[C@H](N2CC([NH+]3C[C@H](C)O[C@@H](C)C3)C2)C[NH2+]1 ZINC001246986222 840690651 /nfs/dbraw/zinc/69/06/51/840690651.db2.gz GLUCVSFCSKQHFH-RFGFWPKPSA-N 2 2 267.417 0.920 20 0 CCADLP C[NH+](C)CCC(=O)N1CC2(C1)CC[N@H+](Cc1ccon1)C2 ZINC001148210386 840762582 /nfs/dbraw/zinc/76/25/82/840762582.db2.gz NMBZLSXPDWWIJP-UHFFFAOYSA-N 2 2 292.383 0.661 20 0 CCADLP C[NH+](C)CCC(=O)N1CC2(C1)CC[N@@H+](Cc1ccon1)C2 ZINC001148210386 840762591 /nfs/dbraw/zinc/76/25/91/840762591.db2.gz NMBZLSXPDWWIJP-UHFFFAOYSA-N 2 2 292.383 0.661 20 0 CCADLP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC001186833732 844602042 /nfs/dbraw/zinc/60/20/42/844602042.db2.gz IEBOIQKAOPKADJ-LLVKDONJSA-N 2 2 281.360 0.102 20 0 CCADLP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC001186833732 844602045 /nfs/dbraw/zinc/60/20/45/844602045.db2.gz IEBOIQKAOPKADJ-LLVKDONJSA-N 2 2 281.360 0.102 20 0 CCADLP O[C@H](C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)C(F)(F)F ZINC000714994175 841238473 /nfs/dbraw/zinc/23/84/73/841238473.db2.gz GUPQBZDKLHFWCO-LPEHRKFASA-N 2 2 252.280 0.984 20 0 CCADLP O[C@H](C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)C(F)(F)F ZINC000714994175 841238480 /nfs/dbraw/zinc/23/84/80/841238480.db2.gz GUPQBZDKLHFWCO-LPEHRKFASA-N 2 2 252.280 0.984 20 0 CCADLP Cc1nc(NC2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cc[nH+]1 ZINC001110150989 841487955 /nfs/dbraw/zinc/48/79/55/841487955.db2.gz OVFWFMKTOHLMRI-GFCCVEGCSA-N 2 2 289.383 0.797 20 0 CCADLP Cc1nc(NC2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)cc[nH+]1 ZINC001110150989 841487966 /nfs/dbraw/zinc/48/79/66/841487966.db2.gz OVFWFMKTOHLMRI-GFCCVEGCSA-N 2 2 289.383 0.797 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CC(=O)N(CC2CC2)C1 ZINC000716773253 841679448 /nfs/dbraw/zinc/67/94/48/841679448.db2.gz MVGXXVUSZITTTO-MRVWCRGKSA-N 2 2 281.400 0.354 20 0 CCADLP CCOC(=O)C1(C)CCC([NH2+][C@@H]2COC[C@H]2[NH3+])CC1 ZINC001171939818 841778761 /nfs/dbraw/zinc/77/87/61/841778761.db2.gz YDJCZHJYLLXKAU-CBKZZEEASA-N 2 2 270.373 0.814 20 0 CCADLP COCCC[NH+]1CCN(C2C[C@@H]3COC[C@H](C2)[N@@H+]3C)CC1 ZINC001172137983 841843129 /nfs/dbraw/zinc/84/31/29/841843129.db2.gz AZSVSMBYXKHPQW-MQVJKMGUSA-N 2 2 297.443 0.502 20 0 CCADLP COCCC[NH+]1CCN(C2C[C@@H]3COC[C@H](C2)[N@H+]3C)CC1 ZINC001172137983 841843141 /nfs/dbraw/zinc/84/31/41/841843141.db2.gz AZSVSMBYXKHPQW-MQVJKMGUSA-N 2 2 297.443 0.502 20 0 CCADLP COCCC[NH+]1CCC([N@@H+](C)CCN2CCOCC2)CC1 ZINC001172249299 841908933 /nfs/dbraw/zinc/90/89/33/841908933.db2.gz IYKHHAJUHPPTFM-UHFFFAOYSA-N 2 2 299.459 0.751 20 0 CCADLP COCCC[NH+]1CCC([N@@H+]2CCOC[C@@H](O)C2)CC1 ZINC001172252488 841913942 /nfs/dbraw/zinc/91/39/42/841913942.db2.gz ODNCPHGVTKIYGR-AWEZNQCLSA-N 2 2 272.389 0.180 20 0 CCADLP COCCC[NH+]1CCC([N@H+]2CCOC[C@@H](O)C2)CC1 ZINC001172252488 841913954 /nfs/dbraw/zinc/91/39/54/841913954.db2.gz ODNCPHGVTKIYGR-AWEZNQCLSA-N 2 2 272.389 0.180 20 0 CCADLP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@H]1CCC[C@@H](C(=O)OC)C1 ZINC001172594079 841938741 /nfs/dbraw/zinc/93/87/41/841938741.db2.gz KIQXGVFJQBHZHJ-GRYCIOLGSA-N 2 2 286.372 0.588 20 0 CCADLP CO[C@H]1CCC[C@H](NC(=[NH2+])N2CC[NH+](C)CC2)C1 ZINC001172917024 841982925 /nfs/dbraw/zinc/98/29/25/841982925.db2.gz DIDXLLDQIQAPBD-RYUDHWBXSA-N 2 2 254.378 0.716 20 0 CCADLP [NH3+]C[C@H]([NH3+])Cc1nc(-c2ncccc2Br)no1 ZINC001249128148 842025055 /nfs/dbraw/zinc/02/50/55/842025055.db2.gz ABGIRPFDRQILLV-ZCFIWIBFSA-N 2 2 298.144 0.723 20 0 CCADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173735564 842134814 /nfs/dbraw/zinc/13/48/14/842134814.db2.gz UKWDIYULUKASDF-UPJWGTAASA-N 2 2 264.377 0.841 20 0 CCADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173735564 842134822 /nfs/dbraw/zinc/13/48/22/842134822.db2.gz UKWDIYULUKASDF-UPJWGTAASA-N 2 2 264.377 0.841 20 0 CCADLP C[C@H](O)CCC[NH2+]CCCNC(=O)CCc1c[nH+]cn1C ZINC001175003932 842223201 /nfs/dbraw/zinc/22/32/01/842223201.db2.gz XKJKLBXYGCDSMD-ZDUSSCGKSA-N 2 2 296.415 0.610 20 0 CCADLP C[NH+](C)C1(C)CN(C(=O)c2cc3n(n2)CCC[N@H+](C)C3)C1 ZINC001175077785 842229596 /nfs/dbraw/zinc/22/95/96/842229596.db2.gz PTKQGOQXKNDIOP-UHFFFAOYSA-N 2 2 291.399 0.495 20 0 CCADLP C[NH+](C)C1(C)CN(C(=O)c2cc3n(n2)CCC[N@@H+](C)C3)C1 ZINC001175077785 842229610 /nfs/dbraw/zinc/22/96/10/842229610.db2.gz PTKQGOQXKNDIOP-UHFFFAOYSA-N 2 2 291.399 0.495 20 0 CCADLP CCC[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001176676067 842399066 /nfs/dbraw/zinc/39/90/66/842399066.db2.gz RQJMOJCSVJGZSM-CQSZACIVSA-N 2 2 283.416 0.603 20 0 CCADLP COCC[NH2+]CCCNC(=O)CCCn1cc[nH+]c1 ZINC001177351466 842562751 /nfs/dbraw/zinc/56/27/51/842562751.db2.gz CYWIICRFXPCNRU-UHFFFAOYSA-N 2 2 268.361 0.406 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)CN(C)c1cccc[nH+]1 ZINC001177413698 842584280 /nfs/dbraw/zinc/58/42/80/842584280.db2.gz GOWSORYBFMXTEI-LLVKDONJSA-N 2 2 250.346 0.584 20 0 CCADLP C[C@H](C(=O)N1CCOC[C@@H]1C[NH+](C)C)n1cc[nH+]c1 ZINC001177921855 842709999 /nfs/dbraw/zinc/70/99/99/842709999.db2.gz IROUYIUSJNDFAU-NEPJUHHUSA-N 2 2 266.345 0.233 20 0 CCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001178115678 842760625 /nfs/dbraw/zinc/76/06/25/842760625.db2.gz GLCXASZTLNCCJA-VXGBXAGGSA-N 2 2 260.341 0.362 20 0 CCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[N@H+]2CC[C@@H]2C1 ZINC001178115678 842760630 /nfs/dbraw/zinc/76/06/30/842760630.db2.gz GLCXASZTLNCCJA-VXGBXAGGSA-N 2 2 260.341 0.362 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCCCCC[NH2+]CCCO ZINC001179906316 843087015 /nfs/dbraw/zinc/08/70/15/843087015.db2.gz AWOZWMYUWICAOO-UHFFFAOYSA-N 2 2 282.388 0.601 20 0 CCADLP C[C@@H](C(=O)Nc1cc(N2CC[NH+](C)CC2)ncn1)[NH+](C)C ZINC001180859436 843324064 /nfs/dbraw/zinc/32/40/64/843324064.db2.gz YRJPAKGZEPJAIX-NSHDSACASA-N 2 2 292.387 0.117 20 0 CCADLP C[C@@H](C(=O)N(c1ccc(C[NH3+])cc1)S(C)(=O)=O)[NH+](C)C ZINC001180865267 843330950 /nfs/dbraw/zinc/33/09/50/843330950.db2.gz YWPFSECINRJWSI-JTQLQIEISA-N 2 2 299.396 0.388 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)CC23CCC[NH+]2CCC3)C1 ZINC001181108870 843401738 /nfs/dbraw/zinc/40/17/38/843401738.db2.gz RHCZRJZZKWAHQJ-CYBMUJFWSA-N 2 2 281.400 0.452 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)CC23CCC[NH+]2CCC3)C1 ZINC001181108870 843401743 /nfs/dbraw/zinc/40/17/43/843401743.db2.gz RHCZRJZZKWAHQJ-CYBMUJFWSA-N 2 2 281.400 0.452 20 0 CCADLP Nc1cc(CC(=O)N(c2ncccn2)C2C[NH2+]C2)cc[nH+]1 ZINC001181255200 843447827 /nfs/dbraw/zinc/44/78/27/843447827.db2.gz JALVVZQNKQJALH-UHFFFAOYSA-N 2 2 284.323 0.001 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](C(=O)NCCc2[nH+]ccn2C)C1 ZINC001181981019 843659771 /nfs/dbraw/zinc/65/97/71/843659771.db2.gz UKCCDOVAOVVGPF-GFCCVEGCSA-N 2 2 264.373 0.809 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](C(=O)NCCc2[nH+]ccn2C)C1 ZINC001181981019 843659775 /nfs/dbraw/zinc/65/97/75/843659775.db2.gz UKCCDOVAOVVGPF-GFCCVEGCSA-N 2 2 264.373 0.809 20 0 CCADLP C[NH+](C)C1(C(=O)N[C@@H](C[NH+]2CCOCC2)C(C)(C)C)CC1 ZINC001182601729 843871690 /nfs/dbraw/zinc/87/16/90/843871690.db2.gz LUUWCDWGYFHRKO-ZDUSSCGKSA-N 2 2 297.443 0.944 20 0 CCADLP COCC[NH2+]C[C@]1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001182997517 843946690 /nfs/dbraw/zinc/94/66/90/843946690.db2.gz YBVKPYSOKMTUPR-IUODEOHRSA-N 2 2 294.399 0.673 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@]1(C)C[NH2+]CCO ZINC001182997206 843947171 /nfs/dbraw/zinc/94/71/71/843947171.db2.gz OLTGQYKECSFPKX-BXUZGUMPSA-N 2 2 280.372 0.019 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001187523414 844734533 /nfs/dbraw/zinc/73/45/33/844734533.db2.gz ZXVGKDZGCFVMNX-GFCCVEGCSA-N 2 2 280.372 0.190 20 0 CCADLP CCOCC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001188346214 844871271 /nfs/dbraw/zinc/87/12/71/844871271.db2.gz GBTWQTCSXTZMFP-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP CCOCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001190481339 845404025 /nfs/dbraw/zinc/40/40/25/845404025.db2.gz UWAZJNVGADGFLG-UONOGXRCSA-N 2 2 292.383 0.452 20 0 CCADLP Cc1conc1C[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192171439 845796208 /nfs/dbraw/zinc/79/62/08/845796208.db2.gz VNVDXAMHFVPZHN-CYBMUJFWSA-N 2 2 294.399 0.967 20 0 CCADLP Cc1conc1C[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192171439 845796211 /nfs/dbraw/zinc/79/62/11/845796211.db2.gz VNVDXAMHFVPZHN-CYBMUJFWSA-N 2 2 294.399 0.967 20 0 CCADLP CC[C@H](C[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)OC ZINC001192550982 845867013 /nfs/dbraw/zinc/86/70/13/845867013.db2.gz NBZAJMCDEVVJPC-UONOGXRCSA-N 2 2 294.399 0.910 20 0 CCADLP CC[C@H](C[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)OC ZINC001192550982 845867021 /nfs/dbraw/zinc/86/70/21/845867021.db2.gz NBZAJMCDEVVJPC-UONOGXRCSA-N 2 2 294.399 0.910 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]([N@H+](C)CCCF)C1 ZINC001193461199 846082375 /nfs/dbraw/zinc/08/23/75/846082375.db2.gz GCMRGEKZCGRQAQ-LBPRGKRZSA-N 2 2 282.363 0.855 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]([N@@H+](C)CCCF)C1 ZINC001193461199 846082380 /nfs/dbraw/zinc/08/23/80/846082380.db2.gz GCMRGEKZCGRQAQ-LBPRGKRZSA-N 2 2 282.363 0.855 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC001195065051 846450353 /nfs/dbraw/zinc/45/03/53/846450353.db2.gz OELABBVSBPXAKI-DGCLKSJQSA-N 2 2 253.346 0.663 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC001195065051 846450360 /nfs/dbraw/zinc/45/03/60/846450360.db2.gz OELABBVSBPXAKI-DGCLKSJQSA-N 2 2 253.346 0.663 20 0 CCADLP CCN(CC[NH2+]CCOC)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001273710318 846672755 /nfs/dbraw/zinc/67/27/55/846672755.db2.gz QGGKTPVGJYBAMF-UHFFFAOYSA-N 2 2 282.388 0.772 20 0 CCADLP CCOCC[N@@H+]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001196698634 846788125 /nfs/dbraw/zinc/78/81/25/846788125.db2.gz 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/nfs/dbraw/zinc/61/91/63/847619163.db2.gz MYBIHGYMKPCSOY-AWEZNQCLSA-N 2 2 251.374 0.777 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cnc(C2CC2)nc1 ZINC001201607446 847796584 /nfs/dbraw/zinc/79/65/84/847796584.db2.gz CWKIFBCKBZBMKM-AWEZNQCLSA-N 2 2 264.373 0.756 20 0 CCADLP O=C1N(CCn2cc[nH+]c2)CC[C@]12CC[N@@H+](C1CC1)C2 ZINC001274017567 848303901 /nfs/dbraw/zinc/30/39/01/848303901.db2.gz QIIHLGKTNRKKDR-OAHLLOKOSA-N 2 2 274.368 0.970 20 0 CCADLP O=C1N(CCn2cc[nH+]c2)CC[C@]12CC[N@H+](C1CC1)C2 ZINC001274017567 848303908 /nfs/dbraw/zinc/30/39/08/848303908.db2.gz QIIHLGKTNRKKDR-OAHLLOKOSA-N 2 2 274.368 0.970 20 0 CCADLP C[C@@H]1CC[C@H](C[NH2+]C/C=C\CNC(=O)Cc2c[nH]c[nH+]2)O1 ZINC001274395041 848466800 /nfs/dbraw/zinc/46/68/00/848466800.db2.gz SLYHSRBYXGGWKS-BTBCPRSTSA-N 2 2 292.383 0.782 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC/C=C\C[NH2+]C/C=C\Cl ZINC001274464893 848483476 /nfs/dbraw/zinc/48/34/76/848483476.db2.gz RHYADDJDQQFYMJ-LOKDLIDFSA-N 2 2 268.748 0.967 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC/C=C\C[NH2+]C/C=C/Cl ZINC001274464891 848483506 /nfs/dbraw/zinc/48/35/06/848483506.db2.gz RHYADDJDQQFYMJ-BXTBVDPRSA-N 2 2 268.748 0.967 20 0 CCADLP COCCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC001274647201 848530162 /nfs/dbraw/zinc/53/01/62/848530162.db2.gz ZIPPUJXOZZTCIC-QWHCGFSZSA-N 2 2 294.399 0.958 20 0 CCADLP COCCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC001274647201 848530166 /nfs/dbraw/zinc/53/01/66/848530166.db2.gz ZIPPUJXOZZTCIC-QWHCGFSZSA-N 2 2 294.399 0.958 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCCC[C@H]1C[NH2+]CCCO ZINC001275018804 848615124 /nfs/dbraw/zinc/61/51/24/848615124.db2.gz DAVWKMUBWWDZSV-AWEZNQCLSA-N 2 2 294.399 0.626 20 0 CCADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)[NH2+]CC1CC1 ZINC001275581106 848768619 /nfs/dbraw/zinc/76/86/19/848768619.db2.gz YCJFCUFIXZBTNU-GHMZBOCLSA-N 2 2 250.346 0.776 20 0 CCADLP Cn1ccnc1C[N@@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001276229020 848966760 /nfs/dbraw/zinc/96/67/60/848966760.db2.gz 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C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCF)O1 ZINC001095611756 848997726 /nfs/dbraw/zinc/99/77/26/848997726.db2.gz YCQKBGSKTKXGNC-PEBLQZBPSA-N 2 2 299.390 0.397 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCF)O1 ZINC001095611756 848997736 /nfs/dbraw/zinc/99/77/36/848997736.db2.gz YCQKBGSKTKXGNC-PEBLQZBPSA-N 2 2 299.390 0.397 20 0 CCADLP CC[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1[NH2+]CCO ZINC001037825648 849591939 /nfs/dbraw/zinc/59/19/39/849591939.db2.gz DSIGKAPUPRQIPQ-STQMWFEESA-N 2 2 294.399 0.551 20 0 CCADLP CC[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1[NH2+]CCO ZINC001037908412 849604388 /nfs/dbraw/zinc/60/43/88/849604388.db2.gz NLOADDONCUOFHW-KBPBESRZSA-N 2 2 294.399 0.482 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001038935343 850089780 /nfs/dbraw/zinc/08/97/80/850089780.db2.gz NBRUAIRCQSXVAO-LLVKDONJSA-N 2 2 262.357 0.972 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001038935343 850089790 /nfs/dbraw/zinc/08/97/90/850089790.db2.gz NBRUAIRCQSXVAO-LLVKDONJSA-N 2 2 262.357 0.972 20 0 CCADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000724312593 850197481 /nfs/dbraw/zinc/19/74/81/850197481.db2.gz DVXIYPWQIMAXME-XYTAGDGMSA-N 2 2 272.414 0.825 20 0 CCADLP CCC[N@H+](C[C@@H]1C[C@@H]2COC[C@H]2O1)[C@H]1CC[NH2+]C1 ZINC000724568423 850203602 /nfs/dbraw/zinc/20/36/02/850203602.db2.gz IRIOQDRFPLTDGH-ZOBORPQBSA-N 2 2 254.374 0.864 20 0 CCADLP CCC[N@@H+](C[C@@H]1C[C@@H]2COC[C@H]2O1)[C@H]1CC[NH2+]C1 ZINC000724568423 850203613 /nfs/dbraw/zinc/20/36/13/850203613.db2.gz IRIOQDRFPLTDGH-ZOBORPQBSA-N 2 2 254.374 0.864 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@]3(CC[NH+](CCF)C3)C2)C1 ZINC001041168809 850392943 /nfs/dbraw/zinc/39/29/43/850392943.db2.gz WWEOYMLNRDQPPL-HIFRSBDPSA-N 2 2 299.390 0.211 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@]3(CC[NH+](CCF)C3)C2)C1 ZINC001041168809 850392954 /nfs/dbraw/zinc/39/29/54/850392954.db2.gz WWEOYMLNRDQPPL-HIFRSBDPSA-N 2 2 299.390 0.211 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@]3(CC[N@H+](CCF)C3)C2)C1 ZINC001041168809 850392968 /nfs/dbraw/zinc/39/29/68/850392968.db2.gz WWEOYMLNRDQPPL-HIFRSBDPSA-N 2 2 299.390 0.211 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[C@]3(CC[N@@H+](CCF)C3)C2)C1 ZINC001041168809 850392980 /nfs/dbraw/zinc/39/29/80/850392980.db2.gz WWEOYMLNRDQPPL-HIFRSBDPSA-N 2 2 299.390 0.211 20 0 CCADLP COCC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001041759360 850497635 /nfs/dbraw/zinc/49/76/35/850497635.db2.gz UGVYRBCOSHVAQS-OAHLLOKOSA-N 2 2 292.383 0.523 20 0 CCADLP COCC[N@H+]1CC[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001041759360 850497638 /nfs/dbraw/zinc/49/76/38/850497638.db2.gz UGVYRBCOSHVAQS-OAHLLOKOSA-N 2 2 292.383 0.523 20 0 CCADLP COCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001042248188 850603545 /nfs/dbraw/zinc/60/35/45/850603545.db2.gz SPQPKORUIGLHCJ-OCCSQVGLSA-N 2 2 292.383 0.521 20 0 CCADLP COCC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001042248188 850603547 /nfs/dbraw/zinc/60/35/47/850603547.db2.gz SPQPKORUIGLHCJ-OCCSQVGLSA-N 2 2 292.383 0.521 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CC[N@H+](CCF)[C@@H]2C1 ZINC001042310629 850611792 /nfs/dbraw/zinc/61/17/92/850611792.db2.gz VKXNJRPMEQUENV-TZMCWYRMSA-N 2 2 294.374 0.855 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CC[N@@H+](CCF)[C@@H]2C1 ZINC001042310629 850611796 /nfs/dbraw/zinc/61/17/96/850611796.db2.gz VKXNJRPMEQUENV-TZMCWYRMSA-N 2 2 294.374 0.855 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CC[N@H+](CCO)[C@@H]2C1 ZINC001042333610 850615420 /nfs/dbraw/zinc/61/54/20/850615420.db2.gz BPUOGSNNRWBLDB-TZMCWYRMSA-N 2 2 292.383 0.176 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CC[N@@H+](CCO)[C@@H]2C1 ZINC001042333610 850615425 /nfs/dbraw/zinc/61/54/25/850615425.db2.gz BPUOGSNNRWBLDB-TZMCWYRMSA-N 2 2 292.383 0.176 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+](CCCO)C1 ZINC001042847682 850769436 /nfs/dbraw/zinc/76/94/36/850769436.db2.gz HVDFMXABCKBOHK-CQSZACIVSA-N 2 2 283.416 0.386 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+](CCCO)C1 ZINC001042847682 850769449 /nfs/dbraw/zinc/76/94/49/850769449.db2.gz HVDFMXABCKBOHK-CQSZACIVSA-N 2 2 283.416 0.386 20 0 CCADLP C[C@@H](O)C[NH+]1CC(N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001043056649 850804893 /nfs/dbraw/zinc/80/48/93/850804893.db2.gz ANFILKVMKGSPMD-CYBMUJFWSA-N 2 2 295.427 0.386 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001044182887 851034297 /nfs/dbraw/zinc/03/42/97/851034297.db2.gz LSFUOVCPTAGQHM-ZIAGYGMSSA-N 2 2 297.443 0.896 20 0 CCADLP Cn1cc[nH+]c1CC[NH2+]C[C@@H](O)C(=O)OC(C)(C)C ZINC001253713286 851106886 /nfs/dbraw/zinc/10/68/86/851106886.db2.gz BOEBTSIPBDFQOG-SNVBAGLBSA-N 2 2 269.345 0.255 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCO)CCN1C(=O)CCn1cc[nH+]c1 ZINC001044694564 851143816 /nfs/dbraw/zinc/14/38/16/851143816.db2.gz RBAVPWUWQGEQIS-CHWSQXEVSA-N 2 2 280.372 0.235 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365655459 851233937 /nfs/dbraw/zinc/23/39/37/851233937.db2.gz GERXCDOJAHUVLX-QWRGUYRKSA-N 2 2 293.371 0.444 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365655459 851233946 /nfs/dbraw/zinc/23/39/46/851233946.db2.gz GERXCDOJAHUVLX-QWRGUYRKSA-N 2 2 293.371 0.444 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001045855891 851324078 /nfs/dbraw/zinc/32/40/78/851324078.db2.gz QKOGDPLBXOVPGC-OLZOCXBDSA-N 2 2 278.356 0.010 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001045855891 851324087 /nfs/dbraw/zinc/32/40/87/851324087.db2.gz QKOGDPLBXOVPGC-OLZOCXBDSA-N 2 2 278.356 0.010 20 0 CCADLP C[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C)Cn1cc[nH+]c1 ZINC000900787780 851512411 /nfs/dbraw/zinc/51/24/11/851512411.db2.gz SDPKYGZYRVBUIJ-BZPMIXESSA-N 2 2 280.372 0.091 20 0 CCADLP C[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C)Cn1cc[nH+]c1 ZINC000900787780 851512420 /nfs/dbraw/zinc/51/24/20/851512420.db2.gz SDPKYGZYRVBUIJ-BZPMIXESSA-N 2 2 280.372 0.091 20 0 CCADLP C[C@@H](CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1)Cn1cc[nH+]c1 ZINC000900789128 851512596 /nfs/dbraw/zinc/51/25/96/851512596.db2.gz ZFUGECGJGLVBPN-GXTWGEPZSA-N 2 2 292.383 0.356 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001047612122 851834947 /nfs/dbraw/zinc/83/49/47/851834947.db2.gz VQLHUDHRXYDDOQ-STQMWFEESA-N 2 2 298.362 0.124 20 0 CCADLP CCCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047646655 851843940 /nfs/dbraw/zinc/84/39/40/851843940.db2.gz LJRBXQULYYBIOP-STQMWFEESA-N 2 2 280.372 0.187 20 0 CCADLP CCCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001047646655 851843947 /nfs/dbraw/zinc/84/39/47/851843947.db2.gz LJRBXQULYYBIOP-STQMWFEESA-N 2 2 280.372 0.187 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1)[C@H]1CCC[NH2+]1 ZINC000902499264 851961681 /nfs/dbraw/zinc/96/16/81/851961681.db2.gz IVNHTAFIJBPMLT-IJLUTSLNSA-N 2 2 277.372 0.491 20 0 CCADLP CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@H]2C1 ZINC001048901418 852101514 /nfs/dbraw/zinc/10/15/14/852101514.db2.gz ZCCRPNGJWQUULR-MELADBBJSA-N 2 2 288.395 0.856 20 0 CCADLP CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@H]2C1 ZINC001048901418 852101521 /nfs/dbraw/zinc/10/15/21/852101521.db2.gz ZCCRPNGJWQUULR-MELADBBJSA-N 2 2 288.395 0.856 20 0 CCADLP COCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049926579 852397801 /nfs/dbraw/zinc/39/78/01/852397801.db2.gz CNLPGTJIPVOXNS-ZIAGYGMSSA-N 2 2 292.383 0.595 20 0 CCADLP COCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049926579 852397810 /nfs/dbraw/zinc/39/78/10/852397810.db2.gz CNLPGTJIPVOXNS-ZIAGYGMSSA-N 2 2 292.383 0.595 20 0 CCADLP C[NH+](C)CCN1CC[NH+]([C@H]2CCC[N@H+](C)CC2)CC1 ZINC001254515878 852623590 /nfs/dbraw/zinc/62/35/90/852623590.db2.gz FXBIVGUTVZLKQB-HNNXBMFYSA-N 3 2 268.449 0.650 20 0 CCADLP C[NH+](C)CCN1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254515878 852623596 /nfs/dbraw/zinc/62/35/96/852623596.db2.gz FXBIVGUTVZLKQB-HNNXBMFYSA-N 3 2 268.449 0.650 20 0 CCADLP CC(C)[C@H](C(=O)N1CCOC2(C[NH+](C(C)C)C2)C1)[NH+](C)C ZINC001053414107 852739388 /nfs/dbraw/zinc/73/93/88/852739388.db2.gz FNCNWVKDROQACD-CQSZACIVSA-N 2 2 297.443 0.894 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[N@H+](C)C[C@H]1C)CCO2 ZINC001053429148 852743213 /nfs/dbraw/zinc/74/32/13/852743213.db2.gz HDGDNPUNAZDXQZ-OLZOCXBDSA-N 2 2 281.400 0.117 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@H]1C)CCO2 ZINC001053429148 852743223 /nfs/dbraw/zinc/74/32/23/852743223.db2.gz HDGDNPUNAZDXQZ-OLZOCXBDSA-N 2 2 281.400 0.117 20 0 CCADLP C[C@](O)(C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(F)(F)F ZINC000389030673 853984035 /nfs/dbraw/zinc/98/40/35/853984035.db2.gz CZIWUXUMTOUNOO-MXWKQRLJSA-N 2 2 282.306 0.753 20 0 CCADLP C[C@](O)(C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(F)(F)F ZINC000389030673 853984036 /nfs/dbraw/zinc/98/40/36/853984036.db2.gz CZIWUXUMTOUNOO-MXWKQRLJSA-N 2 2 282.306 0.753 20 0 CCADLP [NH3+]CCCCCCC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394384327 854175766 /nfs/dbraw/zinc/17/57/66/854175766.db2.gz IPXVDJADXYPGKS-CQSZACIVSA-N 2 2 282.432 0.402 20 0 CCADLP [NH3+]CCCCCCC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000394384327 854175768 /nfs/dbraw/zinc/17/57/68/854175768.db2.gz IPXVDJADXYPGKS-CQSZACIVSA-N 2 2 282.432 0.402 20 0 CCADLP COCC[N@@H+]1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001072803825 854466059 /nfs/dbraw/zinc/46/60/59/854466059.db2.gz LYCIGMNXLUIUQV-UHFFFAOYSA-N 2 2 292.383 0.523 20 0 CCADLP COCC[N@H+]1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001072803825 854466064 /nfs/dbraw/zinc/46/60/64/854466064.db2.gz LYCIGMNXLUIUQV-UHFFFAOYSA-N 2 2 292.383 0.523 20 0 CCADLP COCC[N@@H+]1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001072803825 854466067 /nfs/dbraw/zinc/46/60/67/854466067.db2.gz LYCIGMNXLUIUQV-UHFFFAOYSA-N 2 2 292.383 0.523 20 0 CCADLP COCC[N@H+]1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001072803825 854466071 /nfs/dbraw/zinc/46/60/71/854466071.db2.gz LYCIGMNXLUIUQV-UHFFFAOYSA-N 2 2 292.383 0.523 20 0 CCADLP CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC001072870346 854483784 /nfs/dbraw/zinc/48/37/84/854483784.db2.gz FUYXACWVJRAWFK-CYBMUJFWSA-N 2 2 288.395 1.000 20 0 CCADLP CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC001072870346 854483789 /nfs/dbraw/zinc/48/37/89/854483789.db2.gz FUYXACWVJRAWFK-CYBMUJFWSA-N 2 2 288.395 1.000 20 0 CCADLP CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001074407688 854725867 /nfs/dbraw/zinc/72/58/67/854725867.db2.gz JEJCFFNKTOAUOV-CABCVRRESA-N 2 2 295.427 0.794 20 0 CCADLP CCC[N@H+]1CCO[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001074407688 854725874 /nfs/dbraw/zinc/72/58/74/854725874.db2.gz JEJCFFNKTOAUOV-CABCVRRESA-N 2 2 295.427 0.794 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001074718490 854770241 /nfs/dbraw/zinc/77/02/41/854770241.db2.gz UMRNMRFESJQHDZ-AVGNSLFASA-N 2 2 292.383 0.017 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@@H+](CCF)C2 ZINC001099184036 854920392 /nfs/dbraw/zinc/92/03/92/854920392.db2.gz VRUMEZJZNOFUOB-JSGCOSHPSA-N 2 2 280.347 0.823 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@H+](CCF)C2 ZINC001099184036 854920395 /nfs/dbraw/zinc/92/03/95/854920395.db2.gz VRUMEZJZNOFUOB-JSGCOSHPSA-N 2 2 280.347 0.823 20 0 CCADLP CC[C@@H](C[NH2+]C1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1)OC ZINC001100789520 855226485 /nfs/dbraw/zinc/22/64/85/855226485.db2.gz CUXPMJNBHJBOEY-BPCQOVAHSA-N 2 2 294.399 0.862 20 0 CCADLP CCOCC[NH2+]C1CC(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001100871099 855234013 /nfs/dbraw/zinc/23/40/13/855234013.db2.gz AVEZNDCPTFKSTR-UHFFFAOYSA-N 2 2 294.399 0.484 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC1CC([NH2+]CCF)C1 ZINC001100934791 855241324 /nfs/dbraw/zinc/24/13/24/855241324.db2.gz YJLVIHGHDFPUEG-UHFFFAOYSA-N 2 2 282.363 0.807 20 0 CCADLP C[NH+](C)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001116742762 855824867 /nfs/dbraw/zinc/82/48/67/855824867.db2.gz HBUBNZJLPCQYJO-UHFFFAOYSA-N 2 2 250.346 0.895 20 0 CCADLP C[NH+](C)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001116742762 855824871 /nfs/dbraw/zinc/82/48/71/855824871.db2.gz HBUBNZJLPCQYJO-UHFFFAOYSA-N 2 2 250.346 0.895 20 0 CCADLP O=S1(=O)CC[C@@H](C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC001118198628 856197309 /nfs/dbraw/zinc/19/73/09/856197309.db2.gz QOROFJQPFSHBJB-RYUDHWBXSA-N 2 2 258.387 0.107 20 0 CCADLP O=S1(=O)CC[C@@H](C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC001118198628 856197311 /nfs/dbraw/zinc/19/73/11/856197311.db2.gz QOROFJQPFSHBJB-RYUDHWBXSA-N 2 2 258.387 0.107 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC001118312063 856253906 /nfs/dbraw/zinc/25/39/06/856253906.db2.gz SZOLEXDQWLMHEL-LBPRGKRZSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC001118312063 856253916 /nfs/dbraw/zinc/25/39/16/856253916.db2.gz SZOLEXDQWLMHEL-LBPRGKRZSA-N 2 2 294.399 0.551 20 0 CCADLP Cc1[nH]c(CN2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c(C)[nH+]1 ZINC001119825837 856890007 /nfs/dbraw/zinc/89/00/07/856890007.db2.gz VPDGGIWMUWKNOK-QWRGUYRKSA-N 2 2 266.389 0.913 20 0 CCADLP Cc1[nH]c(CN2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c(C)[nH+]1 ZINC001119825837 856890011 /nfs/dbraw/zinc/89/00/11/856890011.db2.gz VPDGGIWMUWKNOK-QWRGUYRKSA-N 2 2 266.389 0.913 20 0 CCADLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)C1 ZINC001120496924 857092519 /nfs/dbraw/zinc/09/25/19/857092519.db2.gz NLJGIHGTFJJYSS-BPLDGKMQSA-N 2 2 270.417 0.830 20 0 CCADLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)C1 ZINC001120496924 857092528 /nfs/dbraw/zinc/09/25/28/857092528.db2.gz NLJGIHGTFJJYSS-BPLDGKMQSA-N 2 2 270.417 0.830 20 0 CCADLP Cn1ccc(C[NH2+]C2(CNC(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC001392923441 912267528 /nfs/dbraw/zinc/26/75/28/912267528.db2.gz FWWLAHFGQQGLMW-CYBMUJFWSA-N 2 2 291.399 0.253 20 0 CCADLP Cn1ccc(C[NH2+]C2(CNC(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC001392923441 912267548 /nfs/dbraw/zinc/26/75/48/912267548.db2.gz FWWLAHFGQQGLMW-CYBMUJFWSA-N 2 2 291.399 0.253 20 0 CCADLP CCc1cnc(C[NH2+]C2(CNC(=O)CC[NH+](C)C)CC2)o1 ZINC001392928457 912271251 /nfs/dbraw/zinc/27/12/51/912271251.db2.gz JGLLXOVGWOYBIK-UHFFFAOYSA-N 2 2 294.399 0.927 20 0 CCADLP CCC[NH+]1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001393360744 912528931 /nfs/dbraw/zinc/52/89/31/912528931.db2.gz SUFJYMPSJUYDGE-CYBMUJFWSA-N 2 2 283.416 0.434 20 0 CCADLP CCC[NH+]1CC(O)(CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001393360744 912528947 /nfs/dbraw/zinc/52/89/47/912528947.db2.gz SUFJYMPSJUYDGE-CYBMUJFWSA-N 2 2 283.416 0.434 20 0 CCADLP CC[C@H](C(=O)NCC1(O)C[NH+](CC[C@@H](C)F)C1)[NH+](C)C ZINC001393362173 912531483 /nfs/dbraw/zinc/53/14/83/912531483.db2.gz UUXUPNTXKNOTAD-VXGBXAGGSA-N 2 2 289.395 0.238 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001393508284 912611998 /nfs/dbraw/zinc/61/19/98/912611998.db2.gz UMGZSFDNRLBERL-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP CC[N@H+]1CCOC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001393508284 912612008 /nfs/dbraw/zinc/61/20/08/912612008.db2.gz UMGZSFDNRLBERL-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+]1CCOC[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001393508284 912612012 /nfs/dbraw/zinc/61/20/12/912612012.db2.gz UMGZSFDNRLBERL-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+]1CCOC[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001393508284 912612023 /nfs/dbraw/zinc/61/20/23/912612023.db2.gz UMGZSFDNRLBERL-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@@H](CC(=O)NCC1([NH2+]CCO)CCC1)n1cc[nH+]c1 ZINC001393570517 912651921 /nfs/dbraw/zinc/65/19/21/912651921.db2.gz WAYCMONKFCLWKL-LBPRGKRZSA-N 2 2 280.372 0.455 20 0 CCADLP CC(C)[NH+]1CCC(CO)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001393850449 912797201 /nfs/dbraw/zinc/79/72/01/912797201.db2.gz MBABSGHXKODVNP-UHFFFAOYSA-N 2 2 280.372 0.235 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N(C)C[C@@H](C)[NH2+]C[C@@H](C)O ZINC001394505806 913230538 /nfs/dbraw/zinc/23/05/38/913230538.db2.gz YROYFQFPXSGCJQ-VXGBXAGGSA-N 2 2 295.383 0.450 20 0 CCADLP O=C(NC[C@@H](CO)[NH2+]CC1CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001394620899 913320960 /nfs/dbraw/zinc/32/09/60/913320960.db2.gz UUJLTLQISBQALX-LBPRGKRZSA-N 2 2 288.351 0.653 20 0 CCADLP C[C@H](NC(=O)Cc1c[nH+]cn1C)C1CC[NH+](CCO)CC1 ZINC001394845867 913461846 /nfs/dbraw/zinc/46/18/46/913461846.db2.gz CTGANXISKIJAGT-LBPRGKRZSA-N 2 2 294.399 0.172 20 0 CCADLP CO[C@@H](C)C[NH2+]CCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001481285514 892523495 /nfs/dbraw/zinc/52/34/95/892523495.db2.gz HRNPZUPZXPFPJN-OLZOCXBDSA-N 2 2 282.388 0.917 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001481433700 892656355 /nfs/dbraw/zinc/65/63/55/892656355.db2.gz AENPHWVCMXBEHW-OLZOCXBDSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001481433700 892656362 /nfs/dbraw/zinc/65/63/62/892656362.db2.gz AENPHWVCMXBEHW-OLZOCXBDSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001481433700 892656371 /nfs/dbraw/zinc/65/63/71/892656371.db2.gz AENPHWVCMXBEHW-OLZOCXBDSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001481433700 892656379 /nfs/dbraw/zinc/65/63/79/892656379.db2.gz AENPHWVCMXBEHW-OLZOCXBDSA-N 2 2 294.399 0.551 20 0 CCADLP CCC[NH+]1CC(NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001481588952 892875857 /nfs/dbraw/zinc/87/58/57/892875857.db2.gz HCAWJBYHXHPSEW-UHFFFAOYSA-N 2 2 283.416 0.699 20 0 CCADLP COC[C@H](C)[NH+]1CC(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001481635913 892942513 /nfs/dbraw/zinc/94/25/13/892942513.db2.gz MOZXBJOXJNDMNZ-LBPRGKRZSA-N 2 2 294.399 0.436 20 0 CCADLP CC(C)C[NH2+]C[C@](C)(NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001481921879 893266750 /nfs/dbraw/zinc/26/67/50/893266750.db2.gz JNWPMNZFRIZOPZ-HOCLYGCPSA-N 2 2 297.443 0.848 20 0 CCADLP CC(C)C[NH2+]C[C@](C)(NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001481921879 893266765 /nfs/dbraw/zinc/26/67/65/893266765.db2.gz JNWPMNZFRIZOPZ-HOCLYGCPSA-N 2 2 297.443 0.848 20 0 CCADLP Cc1cc(C)c(C(=O)NC[C@@H](C)C[NH2+]CCO)c(C)[nH+]1 ZINC001482124542 893412617 /nfs/dbraw/zinc/41/26/17/893412617.db2.gz QHJAXVXLVFVWOM-JTQLQIEISA-N 2 2 279.384 0.955 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001482349303 893903237 /nfs/dbraw/zinc/90/32/37/893903237.db2.gz UCLHNOHVYYGUPV-WDEREUQCSA-N 2 2 268.361 0.424 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1(O)CCC1 ZINC001356609959 894189064 /nfs/dbraw/zinc/18/90/64/894189064.db2.gz VOCIXWIEXJDUCW-MGPQQGTHSA-N 2 2 268.401 0.869 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)C1(O)CCC1 ZINC001356609959 894189072 /nfs/dbraw/zinc/18/90/72/894189072.db2.gz VOCIXWIEXJDUCW-MGPQQGTHSA-N 2 2 268.401 0.869 20 0 CCADLP C[C@H](O)C[N@H+](C)CCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001482613444 894409578 /nfs/dbraw/zinc/40/95/78/894409578.db2.gz HDEXXJMQDWUCHC-LBPRGKRZSA-N 2 2 290.367 0.719 20 0 CCADLP C[C@H](O)C[N@@H+](C)CCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001482613444 894409583 /nfs/dbraw/zinc/40/95/83/894409583.db2.gz HDEXXJMQDWUCHC-LBPRGKRZSA-N 2 2 290.367 0.719 20 0 CCADLP CO[C@H](C)C[N@H+](C)CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001482631185 894433360 /nfs/dbraw/zinc/43/33/60/894433360.db2.gz NIISEHKGLMFNNR-LLVKDONJSA-N 2 2 268.361 0.377 20 0 CCADLP CO[C@H](C)C[N@@H+](C)CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001482631185 894433368 /nfs/dbraw/zinc/43/33/68/894433368.db2.gz NIISEHKGLMFNNR-LLVKDONJSA-N 2 2 268.361 0.377 20 0 CCADLP C[C@@H](CC[NH2+]CCO)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001482832299 894638269 /nfs/dbraw/zinc/63/82/69/894638269.db2.gz FMLKFBDIXGGVLT-LBPRGKRZSA-N 2 2 294.399 0.239 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)CC[NH2+]C[C@@H](C)O)c[nH+]1 ZINC001482842437 894644643 /nfs/dbraw/zinc/64/46/43/894644643.db2.gz CNIYZISAVLTBCT-DGCLKSJQSA-N 2 2 296.415 0.792 20 0 CCADLP CC(C)C[C@H](C(=O)N[C@H](C)C[NH2+]CC(N)=O)n1cc[nH+]c1 ZINC001483138160 895015745 /nfs/dbraw/zinc/01/57/45/895015745.db2.gz JSCBIWVVUKAJHW-VXGBXAGGSA-N 2 2 295.387 0.050 20 0 CCADLP COCC[NH2+]C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001483235045 895207600 /nfs/dbraw/zinc/20/76/00/895207600.db2.gz YTCALXXOGQEDIZ-JTQLQIEISA-N 2 2 254.334 0.083 20 0 CCADLP COCC[NH2+]C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001483235045 895207615 /nfs/dbraw/zinc/20/76/15/895207615.db2.gz YTCALXXOGQEDIZ-JTQLQIEISA-N 2 2 254.334 0.083 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH2+]Cc1cnsn1 ZINC001483249541 895382117 /nfs/dbraw/zinc/38/21/17/895382117.db2.gz YJUGZAAVNJXCNE-VIFPVBQESA-N 2 2 294.384 0.338 20 0 CCADLP C[C@@H](C[NH2+]C[C@@H]1CCOC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001483270164 895400701 /nfs/dbraw/zinc/40/07/01/895400701.db2.gz MSKYNZMKFLWDKM-QWRGUYRKSA-N 2 2 266.345 0.083 20 0 CCADLP C[C@@H]1COCCN1CC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001365319309 895904580 /nfs/dbraw/zinc/90/45/80/895904580.db2.gz GKJXXLIXMALTBF-OAGGEKHMSA-N 2 2 281.444 0.981 20 0 CCADLP C[C@@H]1COCCN1CC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001365319309 895904593 /nfs/dbraw/zinc/90/45/93/895904593.db2.gz GKJXXLIXMALTBF-OAGGEKHMSA-N 2 2 281.444 0.981 20 0 CCADLP C[C@@H]1COCCN1CC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC001365319309 895904605 /nfs/dbraw/zinc/90/46/05/895904605.db2.gz GKJXXLIXMALTBF-OAGGEKHMSA-N 2 2 281.444 0.981 20 0 CCADLP C[C@@H]1COCCN1CC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC001365319309 895904617 /nfs/dbraw/zinc/90/46/17/895904617.db2.gz GKJXXLIXMALTBF-OAGGEKHMSA-N 2 2 281.444 0.981 20 0 CCADLP Cc1ccnc(C[NH2+]C2(CNC(=O)CC[NH+](C)C)CC2)n1 ZINC001483763567 896025677 /nfs/dbraw/zinc/02/56/77/896025677.db2.gz KPIYJXXFBIGAAY-UHFFFAOYSA-N 2 2 291.399 0.475 20 0 CCADLP CCOCC[NH2+][C@H](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001484358761 896353713 /nfs/dbraw/zinc/35/37/13/896353713.db2.gz OVXZJBIZUDISMU-KGLIPLIRSA-N 2 2 294.399 0.746 20 0 CCADLP CC(=O)NCC[NH+]1CCC([NH2+]CCOC2CCC2)CC1 ZINC001484415728 896386569 /nfs/dbraw/zinc/38/65/69/896386569.db2.gz MZQYSWOSHNVSIK-UHFFFAOYSA-N 2 2 283.416 0.746 20 0 CCADLP CCC[NH2+][C@]1(CO)CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001484842969 896629669 /nfs/dbraw/zinc/62/96/69/896629669.db2.gz YSADBSFVYPTWKR-OAHLLOKOSA-N 2 2 294.399 0.695 20 0 CCADLP CCC[NH2+][C@]1(CO)CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001484842969 896629677 /nfs/dbraw/zinc/62/96/77/896629677.db2.gz YSADBSFVYPTWKR-OAHLLOKOSA-N 2 2 294.399 0.695 20 0 CCADLP Cc1oncc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001485206954 896865479 /nfs/dbraw/zinc/86/54/79/896865479.db2.gz BVJOKFOOVVYTFO-VHSXEESVSA-N 2 2 291.355 0.932 20 0 CCADLP C[C@H](O)C[NH2+]CC1(NC(=O)Cc2[nH]cc[nH+]2)CCCCC1 ZINC001485456786 897056624 /nfs/dbraw/zinc/05/66/24/897056624.db2.gz FGQMWWABMWDXMO-LBPRGKRZSA-N 2 2 294.399 0.742 20 0 CCADLP CC[NH+]1CC([C@H](C)NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001485533073 897113685 /nfs/dbraw/zinc/11/36/85/897113685.db2.gz NAZWETJHJVOLSY-VIFPVBQESA-N 2 2 250.346 0.717 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001485604700 897143396 /nfs/dbraw/zinc/14/33/96/897143396.db2.gz XORBYOVRTIWJDK-DOERSZECSA-N 2 2 292.383 0.017 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001485604700 897143405 /nfs/dbraw/zinc/14/34/05/897143405.db2.gz XORBYOVRTIWJDK-DOERSZECSA-N 2 2 292.383 0.017 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001485604700 897143410 /nfs/dbraw/zinc/14/34/10/897143410.db2.gz XORBYOVRTIWJDK-DOERSZECSA-N 2 2 292.383 0.017 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001485604700 897143415 /nfs/dbraw/zinc/14/34/15/897143415.db2.gz XORBYOVRTIWJDK-DOERSZECSA-N 2 2 292.383 0.017 20 0 CCADLP CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001485603981 897143453 /nfs/dbraw/zinc/14/34/53/897143453.db2.gz SFNXVFODKIBRPO-XYYAHUGASA-N 2 2 262.357 0.656 20 0 CCADLP CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001485603981 897143457 /nfs/dbraw/zinc/14/34/57/897143457.db2.gz SFNXVFODKIBRPO-XYYAHUGASA-N 2 2 262.357 0.656 20 0 CCADLP CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001485603981 897143459 /nfs/dbraw/zinc/14/34/59/897143459.db2.gz SFNXVFODKIBRPO-XYYAHUGASA-N 2 2 262.357 0.656 20 0 CCADLP CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001485603981 897143464 /nfs/dbraw/zinc/14/34/64/897143464.db2.gz SFNXVFODKIBRPO-XYYAHUGASA-N 2 2 262.357 0.656 20 0 CCADLP CCC[N@@H+]1CCO[C@](C)(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001107907922 897485525 /nfs/dbraw/zinc/48/55/25/897485525.db2.gz CTUNTHDIPJEPRM-OAHLLOKOSA-N 2 2 294.399 0.959 20 0 CCADLP CCC[N@H+]1CCO[C@](C)(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001107907922 897485528 /nfs/dbraw/zinc/48/55/28/897485528.db2.gz CTUNTHDIPJEPRM-OAHLLOKOSA-N 2 2 294.399 0.959 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001485829721 897737373 /nfs/dbraw/zinc/73/73/73/897737373.db2.gz YVMNJHUECMZTRJ-BXUZGUMPSA-N 2 2 294.399 0.814 20 0 CCADLP CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1c[nH+]ccc1N)C2 ZINC001272820539 897952504 /nfs/dbraw/zinc/95/25/04/897952504.db2.gz AOSMKFQHUZCBRY-OAHLLOKOSA-N 2 2 290.367 0.175 20 0 CCADLP CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1c[nH+]ccc1N)C2 ZINC001272820539 897952515 /nfs/dbraw/zinc/95/25/15/897952515.db2.gz AOSMKFQHUZCBRY-OAHLLOKOSA-N 2 2 290.367 0.175 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001032732322 898024653 /nfs/dbraw/zinc/02/46/53/898024653.db2.gz YPRXXLVTEUCDSM-SRVKXCTJSA-N 2 2 292.383 0.353 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001032732322 898024670 /nfs/dbraw/zinc/02/46/70/898024670.db2.gz YPRXXLVTEUCDSM-SRVKXCTJSA-N 2 2 292.383 0.353 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC1 ZINC001032733043 898030179 /nfs/dbraw/zinc/03/01/79/898030179.db2.gz HMFZEVHXPQIMIB-KBPBESRZSA-N 2 2 274.368 0.658 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CC1 ZINC001032733043 898030185 /nfs/dbraw/zinc/03/01/85/898030185.db2.gz HMFZEVHXPQIMIB-KBPBESRZSA-N 2 2 274.368 0.658 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)N2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001336942030 921119975 /nfs/dbraw/zinc/11/99/75/921119975.db2.gz LVFFWWXOHYAIGF-VXGBXAGGSA-N 2 2 266.389 0.461 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1([NH2+]CCCO)CCC1 ZINC001326899333 914260316 /nfs/dbraw/zinc/26/03/16/914260316.db2.gz MQPYINSAWWIITD-LBPRGKRZSA-N 2 2 294.399 0.599 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1([NH2+]CCCO)CCC1 ZINC001326899333 914260334 /nfs/dbraw/zinc/26/03/34/914260334.db2.gz MQPYINSAWWIITD-LBPRGKRZSA-N 2 2 294.399 0.599 20 0 CCADLP COC[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001485961777 898563294 /nfs/dbraw/zinc/56/32/94/898563294.db2.gz GSVPBOLOSJCXLO-VXGBXAGGSA-N 2 2 268.361 0.355 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001397679996 914325698 /nfs/dbraw/zinc/32/56/98/914325698.db2.gz MFEMUFDNHYTXJX-JHJVBQTASA-N 2 2 280.372 0.402 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@H](CO)[NH2+]CC1CCCC1 ZINC001410690343 899536578 /nfs/dbraw/zinc/53/65/78/899536578.db2.gz BLHOQXHPQOVHKX-CQSZACIVSA-N 2 2 294.399 0.530 20 0 CCADLP CC[N@H+](CCF)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001437609945 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Cc1cnc(C[NH2+]CCN(C)C(=O)Cc2c[nH+]c[nH]2)cn1 ZINC001317634599 909431411 /nfs/dbraw/zinc/43/14/11/909431411.db2.gz RNCBSDYJFNRRJK-UHFFFAOYSA-N 2 2 288.355 0.299 20 0 CCADLP CC[C@H](C[NH2+][C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)C1)OC ZINC001388702260 909559624 /nfs/dbraw/zinc/55/96/24/909559624.db2.gz RIFSTXAOCAHKLR-HZSPNIEDSA-N 2 2 294.399 0.793 20 0 CCADLP C[C@H](C(=O)NC[C@@H](C1CC1)[NH+](C)C)n1cc[nH+]c1 ZINC001317997941 909563381 /nfs/dbraw/zinc/56/33/81/909563381.db2.gz BYZNWEWNCVMCTK-PWSUYJOCSA-N 2 2 250.346 0.901 20 0 CCADLP C[C@H](NC(=O)c1ccc(C[NH+](C)C)o1)[C@H]1C[N@H+](C)CCO1 ZINC001417669482 921515169 /nfs/dbraw/zinc/51/51/69/921515169.db2.gz ZGBCNNPELOOQCE-SMDDNHRTSA-N 2 2 295.383 0.790 20 0 CCADLP C[C@H](NC(=O)c1ccc(C[NH+](C)C)o1)[C@H]1C[N@@H+](C)CCO1 ZINC001417669482 921515185 /nfs/dbraw/zinc/51/51/85/921515185.db2.gz ZGBCNNPELOOQCE-SMDDNHRTSA-N 2 2 295.383 0.790 20 0 CCADLP C[C@H]1CCCC[C@]1(C[NH2+]CCO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001318746263 909878385 /nfs/dbraw/zinc/87/83/85/909878385.db2.gz SBCYVXJCWCOCTB-SWLSCSKDSA-N 2 2 294.399 0.599 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H](CC[NH2+]CCO)C1 ZINC001318861629 909904823 /nfs/dbraw/zinc/90/48/23/909904823.db2.gz SQSBGXLDSXTHDA-ZDUSSCGKSA-N 2 2 280.372 0.094 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]1C[NH2+]CCCF ZINC001319113961 909991739 /nfs/dbraw/zinc/99/17/39/909991739.db2.gz QOHONBZTRZYDRB-GFCCVEGCSA-N 2 2 268.336 0.892 20 0 CCADLP COCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001319210276 910041390 /nfs/dbraw/zinc/04/13/90/910041390.db2.gz VITNPLVZGCPURR-STQMWFEESA-N 2 2 294.399 0.434 20 0 CCADLP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)CS(C)(=O)=O)C1 ZINC001319799556 910298854 /nfs/dbraw/zinc/29/88/54/910298854.db2.gz XOECIWJTYSZZAL-NEPJUHHUSA-N 2 2 262.419 0.741 20 0 CCADLP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CS(C)(=O)=O)C1 ZINC001319799556 910298872 /nfs/dbraw/zinc/29/88/72/910298872.db2.gz XOECIWJTYSZZAL-NEPJUHHUSA-N 2 2 262.419 0.741 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1[NH2+]CCCO ZINC001319707638 910264944 /nfs/dbraw/zinc/26/49/44/910264944.db2.gz GAWGHZXBNMXXCU-NEPJUHHUSA-N 2 2 280.372 0.161 20 0 CCADLP Cc1cc(C[NH2+][C@H](C)CNC(=O)Cc2c[nH+]cn2C)on1 ZINC001390504081 910477796 /nfs/dbraw/zinc/47/77/96/910477796.db2.gz GCTKSXMFCIACNJ-LLVKDONJSA-N 2 2 291.355 0.554 20 0 CCADLP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1cnsn1)[NH+](C)C ZINC001390512220 910482837 /nfs/dbraw/zinc/48/28/37/910482837.db2.gz ROQFQOSMCYZPRE-GXSJLCMTSA-N 2 2 285.417 0.473 20 0 CCADLP O=CN1CCC([NH2+]CCc2cn3c([nH+]2)CCCC3)CC1 ZINC001320649794 910777938 /nfs/dbraw/zinc/77/79/38/910777938.db2.gz PMTMFMXEFUZSRC-UHFFFAOYSA-N 2 2 276.384 0.972 20 0 CCADLP CC[C@H](C(=O)N(CC)CC[NH2+]Cc1nc(C)no1)[NH+](C)C ZINC001320766317 910853075 /nfs/dbraw/zinc/85/30/75/910853075.db2.gz HJTFIRICHTWHFY-GFCCVEGCSA-N 2 2 297.403 0.656 20 0 CCADLP O=C(NCCn1cc[nH+]c1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001320796479 910873262 /nfs/dbraw/zinc/87/32/62/910873262.db2.gz KWIJYMZBGQFVKZ-UHFFFAOYSA-N 2 2 282.307 0.894 20 0 CCADLP CCN(CC[NH2+]CC[C@@H]1CCOC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001320854627 910903366 /nfs/dbraw/zinc/90/33/66/910903366.db2.gz OLZFNMZJLWQFRK-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCN(C)C(=O)CCC[NH+](C)C)o1 ZINC001391228166 910990072 /nfs/dbraw/zinc/99/00/72/910990072.db2.gz PEFXINKFEKORMV-NSHDSACASA-N 2 2 297.403 0.829 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1CCCO ZINC001417821720 921628591 /nfs/dbraw/zinc/62/85/91/921628591.db2.gz CGSIYZREHTXARL-UONOGXRCSA-N 2 2 294.399 0.694 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1CCCO ZINC001417821720 921628597 /nfs/dbraw/zinc/62/85/97/921628597.db2.gz CGSIYZREHTXARL-UONOGXRCSA-N 2 2 294.399 0.694 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1CCCO ZINC001417821720 921628600 /nfs/dbraw/zinc/62/86/00/921628600.db2.gz CGSIYZREHTXARL-UONOGXRCSA-N 2 2 294.399 0.694 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1CCCO ZINC001417821720 921628604 /nfs/dbraw/zinc/62/86/04/921628604.db2.gz CGSIYZREHTXARL-UONOGXRCSA-N 2 2 294.399 0.694 20 0 CCADLP C[N@H+](CCCO)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001391355051 911066950 /nfs/dbraw/zinc/06/69/50/911066950.db2.gz OQQBOHPESXSUBB-GFCCVEGCSA-N 2 2 280.372 0.115 20 0 CCADLP C[N@@H+](CCCO)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001391355051 911066970 /nfs/dbraw/zinc/06/69/70/911066970.db2.gz OQQBOHPESXSUBB-GFCCVEGCSA-N 2 2 280.372 0.115 20 0 CCADLP CC(C)[C@@H](C(=O)NC1C[NH+](C[C@@H](C)O)C1)[NH+]1CCCCC1 ZINC001391459580 911150324 /nfs/dbraw/zinc/15/03/24/911150324.db2.gz HQGJIKFSFPVZSS-HIFRSBDPSA-N 2 2 297.443 0.678 20 0 CCADLP COC[C@@H](C)[NH+]1CC(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001391512041 911186666 /nfs/dbraw/zinc/18/66/66/911186666.db2.gz CIOMIQKFIGIWIG-SNVBAGLBSA-N 2 2 280.372 0.344 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001392119713 911589716 /nfs/dbraw/zinc/58/97/16/911589716.db2.gz BIMSYYYOSUYADE-WDEREUQCSA-N 2 2 282.388 0.732 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001392119706 911590715 /nfs/dbraw/zinc/59/07/15/911590715.db2.gz BIMSYYYOSUYADE-MNOVXSKESA-N 2 2 282.388 0.732 20 0 CCADLP CC(C)[C@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]CCO ZINC001392227900 911644018 /nfs/dbraw/zinc/64/40/18/911644018.db2.gz MOIWHSQJQQPFQB-LBPRGKRZSA-N 2 2 282.388 0.075 20 0 CCADLP CC[C@@H](C(=O)N(C)CC[N@H+](C)Cc1cnnn1C)[NH+](C)C ZINC001392318328 911722446 /nfs/dbraw/zinc/72/24/46/911722446.db2.gz GRFATSKGJVXBJO-ZDUSSCGKSA-N 2 2 296.419 0.046 20 0 CCADLP CC[C@@H](C(=O)N(C)CC[N@@H+](C)Cc1cnnn1C)[NH+](C)C ZINC001392318328 911722454 /nfs/dbraw/zinc/72/24/54/911722454.db2.gz GRFATSKGJVXBJO-ZDUSSCGKSA-N 2 2 296.419 0.046 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)C[NH2+]CC1CC(C)C1 ZINC001392424393 911792460 /nfs/dbraw/zinc/79/24/60/911792460.db2.gz VVOWCFCMSUWKKN-GDKBPFBDSA-N 2 2 294.399 0.373 20 0 CCADLP C[C@H](CC(=O)N[C@H]1CCC[N@@H+](CCO)C1)n1cc[nH+]c1 ZINC001417910700 921699298 /nfs/dbraw/zinc/69/92/98/921699298.db2.gz DMNSDDIBLPOZSC-OLZOCXBDSA-N 2 2 280.372 0.407 20 0 CCADLP C[C@H](O)C[NH2+]CCCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001322583027 911870338 /nfs/dbraw/zinc/87/03/38/911870338.db2.gz WELAIPPXFYRLQY-STQMWFEESA-N 2 2 294.399 0.264 20 0 CCADLP C[C@H](C[N@H+](C)CCCO)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001392667634 912061266 /nfs/dbraw/zinc/06/12/66/912061266.db2.gz BENWBYJUXRWVGO-OLZOCXBDSA-N 2 2 294.399 0.264 20 0 CCADLP C[C@H](C[N@@H+](C)CCCO)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001392667634 912061280 /nfs/dbraw/zinc/06/12/80/912061280.db2.gz BENWBYJUXRWVGO-OLZOCXBDSA-N 2 2 294.399 0.264 20 0 CCADLP CO[C@H](C)C[N@H+](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001392724495 912114759 /nfs/dbraw/zinc/11/47/59/912114759.db2.gz OLIIIMCWBRUVGO-VXGBXAGGSA-N 2 2 282.388 0.434 20 0 CCADLP CO[C@H](C)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001392724495 912114768 /nfs/dbraw/zinc/11/47/68/912114768.db2.gz OLIIIMCWBRUVGO-VXGBXAGGSA-N 2 2 282.388 0.434 20 0 CCADLP CC[C@@H](C[N@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1)OC ZINC001392722344 912116533 /nfs/dbraw/zinc/11/65/33/912116533.db2.gz GABRQOVBTNHLKR-STQMWFEESA-N 2 2 282.388 0.745 20 0 CCADLP CC[C@@H](C[N@@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1)OC ZINC001392722344 912116546 /nfs/dbraw/zinc/11/65/46/912116546.db2.gz GABRQOVBTNHLKR-STQMWFEESA-N 2 2 282.388 0.745 20 0 CCADLP CO[C@@H](C)C[N@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001392724492 912116919 /nfs/dbraw/zinc/11/69/19/912116919.db2.gz OLIIIMCWBRUVGO-RYUDHWBXSA-N 2 2 282.388 0.434 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001392724492 912116931 /nfs/dbraw/zinc/11/69/31/912116931.db2.gz OLIIIMCWBRUVGO-RYUDHWBXSA-N 2 2 282.388 0.434 20 0 CCADLP COCCCC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001327959949 914892336 /nfs/dbraw/zinc/89/23/36/914892336.db2.gz VCUVAZRPBJFZJZ-KBPBESRZSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001399237263 915087455 /nfs/dbraw/zinc/08/74/55/915087455.db2.gz UYYDGNAOQSOLBC-NEPJUHHUSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001399237263 915087470 /nfs/dbraw/zinc/08/74/70/915087470.db2.gz UYYDGNAOQSOLBC-NEPJUHHUSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@H](O)C[NH2+][C@@H](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001400087695 915554728 /nfs/dbraw/zinc/55/47/28/915554728.db2.gz VEEASJVVAZMQGB-RYUDHWBXSA-N 2 2 294.399 0.550 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001418046291 921782531 /nfs/dbraw/zinc/78/25/31/921782531.db2.gz NMVMDRGFCQHVLS-LBPRGKRZSA-N 2 2 295.387 0.410 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2nc(C)no2)C1 ZINC001418046291 921782540 /nfs/dbraw/zinc/78/25/40/921782540.db2.gz NMVMDRGFCQHVLS-LBPRGKRZSA-N 2 2 295.387 0.410 20 0 CCADLP C[NH+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2csnn2)C1 ZINC001418043195 921783368 /nfs/dbraw/zinc/78/33/68/921783368.db2.gz FWLKQQQLXWNKOG-JTQLQIEISA-N 2 2 283.401 0.180 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001400197669 915618574 /nfs/dbraw/zinc/61/85/74/915618574.db2.gz TYEJFYYIOXBQRA-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001400197669 915618589 /nfs/dbraw/zinc/61/85/89/915618589.db2.gz TYEJFYYIOXBQRA-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP C[N@H+](CCO)C[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001400225731 915634227 /nfs/dbraw/zinc/63/42/27/915634227.db2.gz GLSZJFPHTXLVPX-GFCCVEGCSA-N 2 2 294.399 0.460 20 0 CCADLP C[N@@H+](CCO)C[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001400225731 915634235 /nfs/dbraw/zinc/63/42/35/915634235.db2.gz GLSZJFPHTXLVPX-GFCCVEGCSA-N 2 2 294.399 0.460 20 0 CCADLP COC[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001400297350 915670303 /nfs/dbraw/zinc/67/03/03/915670303.db2.gz NQWFCFAWDXSPCT-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP COC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001400297350 915670311 /nfs/dbraw/zinc/67/03/11/915670311.db2.gz NQWFCFAWDXSPCT-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001400425979 915746510 /nfs/dbraw/zinc/74/65/10/915746510.db2.gz CYKPNZJBQLYEAY-YPMHNXCESA-N 2 2 271.405 0.408 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001400610626 915832318 /nfs/dbraw/zinc/83/23/18/915832318.db2.gz ARIPDCNMOUAWGO-AAEUAGOBSA-N 2 2 280.372 0.568 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001400610626 915832331 /nfs/dbraw/zinc/83/23/31/915832331.db2.gz ARIPDCNMOUAWGO-AAEUAGOBSA-N 2 2 280.372 0.568 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001400610626 915832345 /nfs/dbraw/zinc/83/23/45/915832345.db2.gz ARIPDCNMOUAWGO-AAEUAGOBSA-N 2 2 280.372 0.568 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001400610626 915832359 /nfs/dbraw/zinc/83/23/59/915832359.db2.gz ARIPDCNMOUAWGO-AAEUAGOBSA-N 2 2 280.372 0.568 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccn1 ZINC001329977860 916328995 /nfs/dbraw/zinc/32/89/95/916328995.db2.gz YFSLSGGLHYMIMG-DGCLKSJQSA-N 2 2 258.325 0.916 20 0 CCADLP C[C@H]1C[C@@H](C(=O)N2CCn3c[nH+]cc3C2)CC[N@@H+]1C ZINC001330176908 916454281 /nfs/dbraw/zinc/45/42/81/916454281.db2.gz PXZUJXCXINJSIH-RYUDHWBXSA-N 2 2 262.357 0.956 20 0 CCADLP C[C@H]1C[C@@H](C(=O)N2CCn3c[nH+]cc3C2)CC[N@H+]1C ZINC001330176908 916454306 /nfs/dbraw/zinc/45/43/06/916454306.db2.gz PXZUJXCXINJSIH-RYUDHWBXSA-N 2 2 262.357 0.956 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH+](C)CCF)C1 ZINC001401795394 916592205 /nfs/dbraw/zinc/59/22/05/916592205.db2.gz ARRBTBLJHSQKFX-NEPJUHHUSA-N 2 2 275.368 0.113 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)C[NH+](C)CCF)C1 ZINC001401795394 916592219 /nfs/dbraw/zinc/59/22/19/916592219.db2.gz ARRBTBLJHSQKFX-NEPJUHHUSA-N 2 2 275.368 0.113 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N[C@H](C)C[N@H+](C)CCF)C1 ZINC001401795394 916592238 /nfs/dbraw/zinc/59/22/38/916592238.db2.gz ARRBTBLJHSQKFX-NEPJUHHUSA-N 2 2 275.368 0.113 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N[C@H](C)C[N@@H+](C)CCF)C1 ZINC001401795394 916592256 /nfs/dbraw/zinc/59/22/56/916592256.db2.gz ARRBTBLJHSQKFX-NEPJUHHUSA-N 2 2 275.368 0.113 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)Cc1cnnn1C ZINC001401797762 916597748 /nfs/dbraw/zinc/59/77/48/916597748.db2.gz NAXVWJCQWYBZDD-GFCCVEGCSA-N 2 2 296.419 0.093 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)Cc1cnnn1C ZINC001401797762 916597753 /nfs/dbraw/zinc/59/77/53/916597753.db2.gz NAXVWJCQWYBZDD-GFCCVEGCSA-N 2 2 296.419 0.093 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)Cc1cnnn1C ZINC001401797762 916597757 /nfs/dbraw/zinc/59/77/57/916597757.db2.gz NAXVWJCQWYBZDD-GFCCVEGCSA-N 2 2 296.419 0.093 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@H](C)C[N@@H+](C)Cc1cnnn1C ZINC001401797762 916597761 /nfs/dbraw/zinc/59/77/61/916597761.db2.gz NAXVWJCQWYBZDD-GFCCVEGCSA-N 2 2 296.419 0.093 20 0 CCADLP Cn1cc[nH+]c1Cn1cc([C@H]([NH3+])[C@H]2CCCO2)nn1 ZINC001330775264 916853220 /nfs/dbraw/zinc/85/32/20/916853220.db2.gz QJCGDDHAKWTZOV-PWSUYJOCSA-N 2 2 262.317 0.239 20 0 CCADLP CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001402232365 916883654 /nfs/dbraw/zinc/88/36/54/916883654.db2.gz BXWGGZKBQFTUCX-LLVKDONJSA-N 2 2 286.326 0.976 20 0 CCADLP CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001402232365 916883668 /nfs/dbraw/zinc/88/36/68/916883668.db2.gz BXWGGZKBQFTUCX-LLVKDONJSA-N 2 2 286.326 0.976 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001402701843 917181473 /nfs/dbraw/zinc/18/14/73/917181473.db2.gz ZNGQCNXVFNMHGL-NEPJUHHUSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@@H](CC(=O)N1CCC(C)([NH2+]CCO)CC1)n1cc[nH+]c1 ZINC001402784589 917226280 /nfs/dbraw/zinc/22/62/80/917226280.db2.gz CKFYFGTUGHRMCL-ZDUSSCGKSA-N 2 2 294.399 0.797 20 0 CCADLP COC[C@@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001402935508 917361379 /nfs/dbraw/zinc/36/13/79/917361379.db2.gz NAKMHPXOTZAHKR-ZIAGYGMSSA-N 2 2 294.399 0.841 20 0 CCADLP COC[C@@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001402935508 917361397 /nfs/dbraw/zinc/36/13/97/917361397.db2.gz NAKMHPXOTZAHKR-ZIAGYGMSSA-N 2 2 294.399 0.841 20 0 CCADLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H](C)[NH2+]CCn1cccn1 ZINC001403005425 917416544 /nfs/dbraw/zinc/41/65/44/917416544.db2.gz AUVJKSDTOPOZBE-VXGBXAGGSA-N 2 2 290.371 0.332 20 0 CCADLP C[C@@H]([NH2+]CCF)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001403409986 917703865 /nfs/dbraw/zinc/70/38/65/917703865.db2.gz KEDRWSBCXBDSNW-GHMZBOCLSA-N 2 2 284.335 0.127 20 0 CCADLP CCOCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC001332066462 917836362 /nfs/dbraw/zinc/83/63/62/917836362.db2.gz XGIBALVAIXMEQZ-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP Cc1cc(C[NH+](C)CCNC(=O)C[N@H+]2CC[C@H](C)C2)on1 ZINC001403681308 917919965 /nfs/dbraw/zinc/91/99/65/917919965.db2.gz IVJWQFHYMMIFDZ-LBPRGKRZSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1cc(C[NH+](C)CCNC(=O)C[N@@H+]2CC[C@H](C)C2)on1 ZINC001403681308 917919973 /nfs/dbraw/zinc/91/99/73/917919973.db2.gz IVJWQFHYMMIFDZ-LBPRGKRZSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1cc(C[N@H+](C)CCNC(=O)C[NH+]2CC[C@H](C)C2)on1 ZINC001403681308 917919998 /nfs/dbraw/zinc/91/99/98/917919998.db2.gz IVJWQFHYMMIFDZ-LBPRGKRZSA-N 2 2 294.399 0.873 20 0 CCADLP C[C@H](CC(=O)NC[C@@H](CO)[NH2+]CC1CCC1)n1cc[nH+]c1 ZINC001403698548 917939995 /nfs/dbraw/zinc/93/99/95/917939995.db2.gz HQLRJIZSURQREA-OCCSQVGLSA-N 2 2 294.399 0.701 20 0 CCADLP CC[N@H+](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)CC(N)=O ZINC001403920341 918117765 /nfs/dbraw/zinc/11/77/65/918117765.db2.gz MGYKZIUJNIBIKS-ZDUSSCGKSA-N 2 2 298.431 0.174 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)CC(N)=O ZINC001403920341 918117776 /nfs/dbraw/zinc/11/77/76/918117776.db2.gz MGYKZIUJNIBIKS-ZDUSSCGKSA-N 2 2 298.431 0.174 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](Cc2cnon2)C1 ZINC001404073000 918190737 /nfs/dbraw/zinc/19/07/37/918190737.db2.gz GGPKEPSGPKIEQO-LBPRGKRZSA-N 2 2 295.387 0.350 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+](Cc2cnon2)C1 ZINC001404073000 918190747 /nfs/dbraw/zinc/19/07/47/918190747.db2.gz GGPKEPSGPKIEQO-LBPRGKRZSA-N 2 2 295.387 0.350 20 0 CCADLP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+](Cc2cnon2)C1 ZINC001404073000 918190759 /nfs/dbraw/zinc/19/07/59/918190759.db2.gz GGPKEPSGPKIEQO-LBPRGKRZSA-N 2 2 295.387 0.350 20 0 CCADLP CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001404073000 918190771 /nfs/dbraw/zinc/19/07/71/918190771.db2.gz GGPKEPSGPKIEQO-LBPRGKRZSA-N 2 2 295.387 0.350 20 0 CCADLP CCC[N@H+](CCO)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001404131616 918216744 /nfs/dbraw/zinc/21/67/44/918216744.db2.gz GRLFOPHIRVVQKH-ZDUSSCGKSA-N 2 2 294.399 0.266 20 0 CCADLP CCC[N@@H+](CCO)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001404131616 918216758 /nfs/dbraw/zinc/21/67/58/918216758.db2.gz GRLFOPHIRVVQKH-ZDUSSCGKSA-N 2 2 294.399 0.266 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]([NH2+]CCO)c1ccccc1 ZINC001404379884 918329954 /nfs/dbraw/zinc/32/99/54/918329954.db2.gz QCIMUQUFDJVMPC-AWEZNQCLSA-N 2 2 288.351 0.323 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)CCc2[nH+]ccn2C)C1 ZINC001405115725 918609938 /nfs/dbraw/zinc/60/99/38/918609938.db2.gz GFSDZRMFWKGNNF-CHWSQXEVSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CCc2[nH+]ccn2C)C1 ZINC001405115725 918609943 /nfs/dbraw/zinc/60/99/43/918609943.db2.gz GFSDZRMFWKGNNF-CHWSQXEVSA-N 2 2 294.399 0.266 20 0 CCADLP CN(C(=O)CCc1[nH+]ccn1C)[C@@H]1CC[N@H+](CCCO)C1 ZINC001405130790 918618901 /nfs/dbraw/zinc/61/89/01/918618901.db2.gz OESIUROSCLWRLO-CYBMUJFWSA-N 2 2 294.399 0.268 20 0 CCADLP CN(C(=O)CCc1[nH+]ccn1C)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001405130790 918618910 /nfs/dbraw/zinc/61/89/10/918618910.db2.gz OESIUROSCLWRLO-CYBMUJFWSA-N 2 2 294.399 0.268 20 0 CCADLP COCC[N@@H+]1CC[C@H](N(C)C(=O)CCCn2cc[nH+]c2)C1 ZINC001405147928 918622294 /nfs/dbraw/zinc/62/22/94/918622294.db2.gz QIPLGYYSGDFMAY-AWEZNQCLSA-N 2 2 294.399 0.842 20 0 CCADLP COCC[N@H+]1CC[C@H](N(C)C(=O)CCCn2cc[nH+]c2)C1 ZINC001405147928 918622304 /nfs/dbraw/zinc/62/23/04/918622304.db2.gz QIPLGYYSGDFMAY-AWEZNQCLSA-N 2 2 294.399 0.842 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001406072450 919027595 /nfs/dbraw/zinc/02/75/95/919027595.db2.gz HASQVLCPHAXHAT-QWHCGFSZSA-N 2 2 282.388 0.648 20 0 CCADLP C[C@H](O)C[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001406131222 919072717 /nfs/dbraw/zinc/07/27/17/919072717.db2.gz RBQDYRLSQXDBAE-YNEHKIRRSA-N 2 2 294.399 0.295 20 0 CCADLP C[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001406131222 919072725 /nfs/dbraw/zinc/07/27/25/919072725.db2.gz RBQDYRLSQXDBAE-YNEHKIRRSA-N 2 2 294.399 0.295 20 0 CCADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2C[C@@H]3CCO[C@@H]3C2=O)C1 ZINC001333792690 919168254 /nfs/dbraw/zinc/16/82/54/919168254.db2.gz XRGUIDIKDWAJOB-BARDWOONSA-N 2 2 293.411 0.607 20 0 CCADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2C[C@@H]3CCO[C@@H]3C2=O)C1 ZINC001333792690 919168263 /nfs/dbraw/zinc/16/82/63/919168263.db2.gz XRGUIDIKDWAJOB-BARDWOONSA-N 2 2 293.411 0.607 20 0 CCADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2CN2C[C@@H]3CCO[C@@H]3C2=O)C1 ZINC001333792690 919168271 /nfs/dbraw/zinc/16/82/71/919168271.db2.gz XRGUIDIKDWAJOB-BARDWOONSA-N 2 2 293.411 0.607 20 0 CCADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2CN2C[C@@H]3CCO[C@@H]3C2=O)C1 ZINC001333792690 919168281 /nfs/dbraw/zinc/16/82/81/919168281.db2.gz XRGUIDIKDWAJOB-BARDWOONSA-N 2 2 293.411 0.607 20 0 CCADLP Cn1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC001406905322 919532694 /nfs/dbraw/zinc/53/26/94/919532694.db2.gz FWWLAHFGQQGLMW-ZDUSSCGKSA-N 2 2 291.399 0.253 20 0 CCADLP Cn1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC001406905322 919532704 /nfs/dbraw/zinc/53/27/04/919532704.db2.gz FWWLAHFGQQGLMW-ZDUSSCGKSA-N 2 2 291.399 0.253 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001407182179 919657223 /nfs/dbraw/zinc/65/72/23/919657223.db2.gz VAFWSEBKRWJRNY-HIFRSBDPSA-N 2 2 294.399 0.889 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001407182179 919657231 /nfs/dbraw/zinc/65/72/31/919657231.db2.gz VAFWSEBKRWJRNY-HIFRSBDPSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001407227370 919672434 /nfs/dbraw/zinc/67/24/34/919672434.db2.gz DYXHHXLAYKKZQR-DOMZBBRYSA-N 2 2 294.399 0.172 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001407539138 919802761 /nfs/dbraw/zinc/80/27/61/919802761.db2.gz YFPBHEAKOQKQDR-CLLJXQQHSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001407539138 919802772 /nfs/dbraw/zinc/80/27/72/919802772.db2.gz YFPBHEAKOQKQDR-CLLJXQQHSA-N 2 2 292.383 0.304 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@@H]1COCC[NH+]1CCC ZINC001407771952 919882376 /nfs/dbraw/zinc/88/23/76/919882376.db2.gz RTONAQIBVLSKEK-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1COCC[NH+]1CCC ZINC001407771952 919882384 /nfs/dbraw/zinc/88/23/84/919882384.db2.gz RTONAQIBVLSKEK-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[NH+](C)CC(=O)NC[C@@H]1COCC[N@@H+]1CCC ZINC001407771952 919882391 /nfs/dbraw/zinc/88/23/91/919882391.db2.gz RTONAQIBVLSKEK-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[NH+](C)CC(=O)NC[C@@H]1COCC[N@H+]1CCC ZINC001407771952 919882402 /nfs/dbraw/zinc/88/24/02/919882402.db2.gz RTONAQIBVLSKEK-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[NH2+][C@]1(CO)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001408023405 919992845 /nfs/dbraw/zinc/99/28/45/919992845.db2.gz FVYJBVSJKGCQEG-CQSZACIVSA-N 2 2 280.372 0.305 20 0 CCADLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@@H](O)CC2(O)CCCC2)C1 ZINC001335442879 920196328 /nfs/dbraw/zinc/19/63/28/920196328.db2.gz AXDQUWRHBUTEEQ-KGLIPLIRSA-N 2 2 270.417 0.974 20 0 CCADLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@@H](O)CC2(O)CCCC2)C1 ZINC001335442879 920196340 /nfs/dbraw/zinc/19/63/40/920196340.db2.gz AXDQUWRHBUTEEQ-KGLIPLIRSA-N 2 2 270.417 0.974 20 0 CCADLP CCC[NH2+]CCNC(=O)N[C@@H](CC)C[NH+]1CCOCC1 ZINC001335591808 920306441 /nfs/dbraw/zinc/30/64/41/920306441.db2.gz VHVOYBKAQGMUPT-ZDUSSCGKSA-N 2 2 286.420 0.396 20 0 CCADLP CC[C@@H](O)CCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001335623224 920329541 /nfs/dbraw/zinc/32/95/41/920329541.db2.gz MRQWGASDOURYPF-CYBMUJFWSA-N 2 2 286.420 0.260 20 0 CCADLP O=C1NC2(CO1)CC[NH+](CC13CC(C1)C[NH2+]3)CC2 ZINC001335951092 920525484 /nfs/dbraw/zinc/52/54/84/920525484.db2.gz XSAQGDFUZBBZNF-UHFFFAOYSA-N 2 2 251.330 0.313 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCO)CC1 ZINC001415133695 920612694 /nfs/dbraw/zinc/61/26/94/920612694.db2.gz SJQPERKOUFWUHB-AWEZNQCLSA-N 2 2 283.416 0.386 20 0 CCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCCO)CC1 ZINC001415133695 920612703 /nfs/dbraw/zinc/61/27/03/920612703.db2.gz SJQPERKOUFWUHB-AWEZNQCLSA-N 2 2 283.416 0.386 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1CCC([NH3+])CC1 ZINC001336686199 920926193 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Cc1ccnc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001418213993 921925950 /nfs/dbraw/zinc/92/59/50/921925950.db2.gz MRYPERWOVCRSOA-OLZOCXBDSA-N 2 2 291.399 0.474 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CC1CC1 ZINC001418235489 921949683 /nfs/dbraw/zinc/94/96/83/921949683.db2.gz DUVYEIMPHGYTBQ-AAEUAGOBSA-N 2 2 276.384 0.950 20 0 CCADLP Cc1nonc1C[NH2+][C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001418239347 921951760 /nfs/dbraw/zinc/95/17/60/921951760.db2.gz ZTAPPOAMUBHFSS-JTQLQIEISA-N 2 2 295.387 0.457 20 0 CCADLP C[N@H+](CCCF)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001418470181 922154189 /nfs/dbraw/zinc/15/41/89/922154189.db2.gz JYKOOBBCFWXSQJ-LBPRGKRZSA-N 2 2 282.363 0.853 20 0 CCADLP C[N@@H+](CCCF)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001418470181 922154201 /nfs/dbraw/zinc/15/42/01/922154201.db2.gz JYKOOBBCFWXSQJ-LBPRGKRZSA-N 2 2 282.363 0.853 20 0 CCADLP COC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001418507630 922200035 /nfs/dbraw/zinc/20/00/35/922200035.db2.gz WIICWYGFZFICJU-VXGBXAGGSA-N 2 2 282.388 0.671 20 0 CCADLP COC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001418507630 922200043 /nfs/dbraw/zinc/20/00/43/922200043.db2.gz WIICWYGFZFICJU-VXGBXAGGSA-N 2 2 282.388 0.671 20 0 CCADLP COC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001418507630 922200054 /nfs/dbraw/zinc/20/00/54/922200054.db2.gz WIICWYGFZFICJU-VXGBXAGGSA-N 2 2 282.388 0.671 20 0 CCADLP COC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001418507630 922200060 /nfs/dbraw/zinc/20/00/60/922200060.db2.gz WIICWYGFZFICJU-VXGBXAGGSA-N 2 2 282.388 0.671 20 0 CCADLP COC[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001418830853 922445070 /nfs/dbraw/zinc/44/50/70/922445070.db2.gz ZDXGPPCHIHDCAB-CHWSQXEVSA-N 2 2 294.399 0.528 20 0 CCADLP O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@H]1CCc2c[nH+]cn2C1 ZINC001341420307 922478101 /nfs/dbraw/zinc/47/81/01/922478101.db2.gz WLFGKONYCRRVIU-YRRQLQLVSA-N 2 2 260.341 0.455 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c[nH+]1 ZINC001341423110 922480475 /nfs/dbraw/zinc/48/04/75/922480475.db2.gz NVCYMXVIRRAFSU-GRYCIOLGSA-N 2 2 262.357 0.936 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC1C[NH+](C[C@@H]2CCCCO2)C1 ZINC001419011176 922571062 /nfs/dbraw/zinc/57/10/62/922571062.db2.gz XJUHSOZIMVNSJW-AWEZNQCLSA-N 2 2 283.416 0.696 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC1C[NH+](C[C@@H]2CCCCO2)C1 ZINC001419011176 922571074 /nfs/dbraw/zinc/57/10/74/922571074.db2.gz XJUHSOZIMVNSJW-AWEZNQCLSA-N 2 2 283.416 0.696 20 0 CCADLP CCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](C[C@H](C)OC)C1 ZINC001419169293 922683486 /nfs/dbraw/zinc/68/34/86/922683486.db2.gz XUELCXQGUQJOIG-UONOGXRCSA-N 2 2 294.399 0.841 20 0 CCADLP CCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](C[C@H](C)OC)C1 ZINC001419169293 922683492 /nfs/dbraw/zinc/68/34/92/922683492.db2.gz XUELCXQGUQJOIG-UONOGXRCSA-N 2 2 294.399 0.841 20 0 CCADLP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1nncs1 ZINC001419176124 922688848 /nfs/dbraw/zinc/68/88/48/922688848.db2.gz HUAKXHVTWKBZMF-QWRGUYRKSA-N 2 2 297.428 0.617 20 0 CCADLP CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1nncs1 ZINC001419176124 922688857 /nfs/dbraw/zinc/68/88/57/922688857.db2.gz HUAKXHVTWKBZMF-QWRGUYRKSA-N 2 2 297.428 0.617 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]([NH2+]C[C@H]1CCOC1)C1CC1 ZINC001419328335 922770689 /nfs/dbraw/zinc/77/06/89/922770689.db2.gz SFHPAWFQLWMDQI-OCCSQVGLSA-N 2 2 292.383 0.404 20 0 CCADLP CC[C@H](C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1)OC ZINC001419516647 922891109 /nfs/dbraw/zinc/89/11/09/922891109.db2.gz VSKFLMXSVXHZBG-FRRDWIJNSA-N 2 2 280.372 0.545 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]Cc1cncs1 ZINC001419522864 922893974 /nfs/dbraw/zinc/89/39/74/922893974.db2.gz OHWNLCQIPVEIDC-SNVBAGLBSA-N 2 2 293.396 0.951 20 0 CCADLP O=C(CC[N@H+]1CC[C@@H](F)C1)NCc1c[nH+]c2n1CCC2 ZINC001419532757 922899027 /nfs/dbraw/zinc/89/90/27/922899027.db2.gz BPXXHJDHGJHKRY-LLVKDONJSA-N 2 2 280.347 0.879 20 0 CCADLP O=C(CC[N@@H+]1CC[C@@H](F)C1)NCc1c[nH+]c2n1CCC2 ZINC001419532757 922899028 /nfs/dbraw/zinc/89/90/28/922899028.db2.gz BPXXHJDHGJHKRY-LLVKDONJSA-N 2 2 280.347 0.879 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC001342304424 922902696 /nfs/dbraw/zinc/90/26/96/922902696.db2.gz WOWKDDDSIXDKTB-NWDGAFQWSA-N 2 2 257.378 0.164 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]([NH3+])CC1CC1 ZINC001342609701 923021881 /nfs/dbraw/zinc/02/18/81/923021881.db2.gz VXGXKSJEKCRGTM-QWHCGFSZSA-N 2 2 269.389 0.341 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)C1([NH3+])CCC1 ZINC001342607696 923024775 /nfs/dbraw/zinc/02/47/75/923024775.db2.gz MEAXYHTUPMJIKS-LLVKDONJSA-N 2 2 255.362 0.095 20 0 CCADLP [NH3+][C@@H](CC(=O)NCCCCCN1CC[NH2+]CC1)C(F)F ZINC001342678667 923049855 /nfs/dbraw/zinc/04/98/55/923049855.db2.gz FRBULHNHCVEQEP-NSHDSACASA-N 2 2 292.374 0.161 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC001342738451 923075951 /nfs/dbraw/zinc/07/59/51/923075951.db2.gz NVMAQWDWNNAXRF-WRWGMCAJSA-N 2 2 262.357 0.767 20 0 CCADLP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1cnon1 ZINC001419841882 923128912 /nfs/dbraw/zinc/12/89/12/923128912.db2.gz SEPDDKOMJDSBGR-SNVBAGLBSA-N 2 2 281.360 0.006 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC001342952689 923147504 /nfs/dbraw/zinc/14/75/04/923147504.db2.gz WAYJDWKCHWBIPA-UPJWGTAASA-N 2 2 269.389 0.293 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CCc1cnn(C)c1 ZINC001419891858 923151317 /nfs/dbraw/zinc/15/13/17/923151317.db2.gz HTGDWXDGZMIBFT-LLVKDONJSA-N 2 2 290.371 0.023 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001420004457 923231251 /nfs/dbraw/zinc/23/12/51/923231251.db2.gz YILNKIWUNLAIBS-VXGBXAGGSA-N 2 2 280.372 0.425 20 0 CCADLP [NH3+][C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C12CCC2 ZINC001343199324 923233134 /nfs/dbraw/zinc/23/31/34/923233134.db2.gz ABMDFPMNXNYXFZ-IQIPOGNMSA-N 2 2 260.341 0.899 20 0 CCADLP [NH3+][C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C12CCC2 ZINC001343199324 923233153 /nfs/dbraw/zinc/23/31/53/923233153.db2.gz ABMDFPMNXNYXFZ-IQIPOGNMSA-N 2 2 260.341 0.899 20 0 CCADLP [NH3+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C12CCC2 ZINC001343199325 923234391 /nfs/dbraw/zinc/23/43/91/923234391.db2.gz ABMDFPMNXNYXFZ-LSKIRQOJSA-N 2 2 260.341 0.899 20 0 CCADLP [NH3+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C12CCC2 ZINC001343199325 923234404 /nfs/dbraw/zinc/23/44/04/923234404.db2.gz ABMDFPMNXNYXFZ-LSKIRQOJSA-N 2 2 260.341 0.899 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@@H](C)C[NH2+]1 ZINC001343459150 923324940 /nfs/dbraw/zinc/32/49/40/923324940.db2.gz OTCUFCGHDIAVLP-WRWGMCAJSA-N 2 2 262.357 0.732 20 0 CCADLP C[N@H+](CCNC(=O)CCc1c[nH]c[nH+]1)C[C@H]1CCCCO1 ZINC001420232485 923437604 /nfs/dbraw/zinc/43/76/04/923437604.db2.gz QDAMUKBFPAVJMG-CQSZACIVSA-N 2 2 294.399 0.959 20 0 CCADLP C[N@@H+](CCNC(=O)CCc1c[nH]c[nH+]1)C[C@H]1CCCCO1 ZINC001420232485 923437614 /nfs/dbraw/zinc/43/76/14/923437614.db2.gz QDAMUKBFPAVJMG-CQSZACIVSA-N 2 2 294.399 0.959 20 0 CCADLP O=C(N[C@H]1C[NH2+]CC12CC2)[C@@H]1CCc2[nH+]ccn2C1 ZINC001343731451 923447710 /nfs/dbraw/zinc/44/77/10/923447710.db2.gz JEVDZZKCXMLRBG-MNOVXSKESA-N 2 2 260.341 0.314 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC001343947232 923513526 /nfs/dbraw/zinc/51/35/26/923513526.db2.gz ZQFGZBLXVOJPBV-VWYCJHECSA-N 2 2 250.346 0.927 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC001343947232 923513534 /nfs/dbraw/zinc/51/35/34/923513534.db2.gz ZQFGZBLXVOJPBV-VWYCJHECSA-N 2 2 250.346 0.927 20 0 CCADLP C[C@H](C[NH2+][C@@H](C)c1csnn1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001420322222 923544457 /nfs/dbraw/zinc/54/44/57/923544457.db2.gz RNKDQSFNNDVZFW-JFGNBEQYSA-N 2 2 297.428 0.788 20 0 CCADLP C[C@H](C[NH2+][C@@H](C)c1csnn1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001420322222 923544471 /nfs/dbraw/zinc/54/44/71/923544471.db2.gz RNKDQSFNNDVZFW-JFGNBEQYSA-N 2 2 297.428 0.788 20 0 CCADLP [NH3+]Cc1ccc(C(=O)NCCCCC[NH+]2CCNCC2)o1 ZINC001344931192 923735891 /nfs/dbraw/zinc/73/58/91/923735891.db2.gz NFXYKUJSECNEQX-UHFFFAOYSA-N 2 2 294.399 0.544 20 0 CCADLP C[C@@H](C[N@H+](C)Cc1cnnn1C)NC(=O)CCC[NH+](C)C ZINC001420611959 923824926 /nfs/dbraw/zinc/82/49/26/923824926.db2.gz MFVROWXOVJERKP-LBPRGKRZSA-N 2 2 296.419 0.093 20 0 CCADLP C[C@@H](C[N@@H+](C)Cc1cnnn1C)NC(=O)CCC[NH+](C)C ZINC001420611959 923824936 /nfs/dbraw/zinc/82/49/36/923824936.db2.gz MFVROWXOVJERKP-LBPRGKRZSA-N 2 2 296.419 0.093 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCN(c2cnn(C)c2)C1 ZINC001345470323 923897904 /nfs/dbraw/zinc/89/79/04/923897904.db2.gz QXNGPNUFZNMBMA-DYEKYZERSA-N 2 2 263.389 0.586 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC1(C2CC[NH2+]CC2)CC1 ZINC001345478531 923901683 /nfs/dbraw/zinc/90/16/83/923901683.db2.gz SYIROPYVNMJQIA-UHFFFAOYSA-N 2 2 262.357 0.922 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[N@@H+]1C[C@H]1CCOC1 ZINC001420897320 924006764 /nfs/dbraw/zinc/00/67/64/924006764.db2.gz RLLSOBBTEZWCCN-CHWSQXEVSA-N 2 2 292.383 0.488 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[N@H+]1C[C@H]1CCOC1 ZINC001420897320 924006781 /nfs/dbraw/zinc/00/67/81/924006781.db2.gz RLLSOBBTEZWCCN-CHWSQXEVSA-N 2 2 292.383 0.488 20 0 CCADLP CO[C@H](C)C[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001420934800 924042037 /nfs/dbraw/zinc/04/20/37/924042037.db2.gz SCPKPLWWFRLHPP-OLZOCXBDSA-N 2 2 294.399 0.767 20 0 CCADLP CO[C@H](C)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001420934800 924042050 /nfs/dbraw/zinc/04/20/50/924042050.db2.gz SCPKPLWWFRLHPP-OLZOCXBDSA-N 2 2 294.399 0.767 20 0 CCADLP [NH3+][C@@H](C(=O)N[C@@H]1C[C@H]([NH3+])C1)c1c(F)cccc1F ZINC001346419200 924202717 /nfs/dbraw/zinc/20/27/17/924202717.db2.gz FUFJSLFKABKNJU-PTZCXBDSSA-N 2 2 255.268 0.571 20 0 CCADLP CN(C)C(=O)OCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001347537976 924474827 /nfs/dbraw/zinc/47/48/27/924474827.db2.gz IJSDGBRXOOIEQG-CYBMUJFWSA-N 2 2 255.362 0.712 20 0 CCADLP CN(C)C(=O)OCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001347537976 924474828 /nfs/dbraw/zinc/47/48/28/924474828.db2.gz IJSDGBRXOOIEQG-CYBMUJFWSA-N 2 2 255.362 0.712 20 0 CCADLP CN(C)C(=O)OCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001347537976 924474831 /nfs/dbraw/zinc/47/48/31/924474831.db2.gz IJSDGBRXOOIEQG-CYBMUJFWSA-N 2 2 255.362 0.712 20 0 CCADLP CN(C)C(=O)OCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001347537976 924474834 /nfs/dbraw/zinc/47/48/34/924474834.db2.gz IJSDGBRXOOIEQG-CYBMUJFWSA-N 2 2 255.362 0.712 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC001347601839 924491815 /nfs/dbraw/zinc/49/18/15/924491815.db2.gz FDSIITBCCZXLIH-NSHDSACASA-N 2 2 250.346 0.563 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC001347601839 924491818 /nfs/dbraw/zinc/49/18/18/924491818.db2.gz FDSIITBCCZXLIH-NSHDSACASA-N 2 2 250.346 0.563 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC001351130962 925365671 /nfs/dbraw/zinc/36/56/71/925365671.db2.gz ULGFTWLGOJNKJJ-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)c1ccc2c(n1)C[NH2+]CC2 ZINC001353432571 925833523 /nfs/dbraw/zinc/83/35/23/925833523.db2.gz MUJAULGYDXTYBW-UHFFFAOYSA-N 2 2 285.351 0.744 20 0 CCADLP C[C@H](CNC(=O)C1=CCC[NH2+]CC1)Cn1cc[nH+]c1 ZINC001353494577 925848670 /nfs/dbraw/zinc/84/86/70/925848670.db2.gz GXFINVXYORSOMD-GFCCVEGCSA-N 2 2 262.357 0.945 20 0 CCADLP COCCC[N@H+](C)CC[NH2+]CC1CC[NH+](C)CC1 ZINC001355263269 926231689 /nfs/dbraw/zinc/23/16/89/926231689.db2.gz JLYZUCNKHZSQGK-UHFFFAOYSA-N 3 2 257.422 0.886 20 0 CCADLP COCCC[N@@H+](C)CC[NH2+]CC1CC[NH+](C)CC1 ZINC001355263269 926231694 /nfs/dbraw/zinc/23/16/94/926231694.db2.gz JLYZUCNKHZSQGK-UHFFFAOYSA-N 3 2 257.422 0.886 20 0 CCADLP C[C@@H](C(=O)Nc1ccc2[nH]c(C[NH3+])nc2c1)[NH+](C)C ZINC001355415484 926256234 /nfs/dbraw/zinc/25/62/34/926256234.db2.gz TUBQRVKHRKTEJT-QMMMGPOBSA-N 2 2 261.329 0.910 20 0 CCADLP C[C@@H](C(=O)Nc1ccc2nc(C[NH3+])[nH]c2c1)[NH+](C)C ZINC001355415484 926256242 /nfs/dbraw/zinc/25/62/42/926256242.db2.gz TUBQRVKHRKTEJT-QMMMGPOBSA-N 2 2 261.329 0.910 20 0 CCADLP O[C@H](C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)C1(O)CCC1 ZINC001356609958 926409131 /nfs/dbraw/zinc/40/91/31/926409131.db2.gz VOCIXWIEXJDUCW-MELADBBJSA-N 2 2 268.401 0.869 20 0 CCADLP O[C@H](C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)C1(O)CCC1 ZINC001356609958 926409138 /nfs/dbraw/zinc/40/91/38/926409138.db2.gz VOCIXWIEXJDUCW-MELADBBJSA-N 2 2 268.401 0.869 20 0 CCADLP CC[C@H](C)OCC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001358111951 926640194 /nfs/dbraw/zinc/64/01/94/926640194.db2.gz UXXRAMORGXHBCL-NSHDSACASA-N 2 2 257.378 0.341 20 0 CCADLP CC(C)C[NH+]1CC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001421461468 926763540 /nfs/dbraw/zinc/76/35/40/926763540.db2.gz XISCYEACDKXVTD-CYBMUJFWSA-N 2 2 283.416 0.290 20 0 CCADLP CC(C)C[NH+]1CC(O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001421461468 926763550 /nfs/dbraw/zinc/76/35/50/926763550.db2.gz XISCYEACDKXVTD-CYBMUJFWSA-N 2 2 283.416 0.290 20 0 CCADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+]C[C@@H]1CCOC1 ZINC001421730130 926877492 /nfs/dbraw/zinc/87/74/92/926877492.db2.gz QCCLBXGEFWTGKQ-KBPBESRZSA-N 2 2 294.399 0.652 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)CCc1c[nH+]cn1C ZINC001421980856 927022794 /nfs/dbraw/zinc/02/27/94/927022794.db2.gz BQMHSGCYNYVVER-OLZOCXBDSA-N 2 2 296.415 0.824 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCN1CCO[C@H](CCC[NH+](C)C)C1 ZINC001422099416 927073970 /nfs/dbraw/zinc/07/39/70/927073970.db2.gz HJIHNERSOVSFSU-JKSUJKDBSA-N 2 2 299.459 0.750 20 0 CCADLP C[C@H]1COCC[N@H+]1CCN1CCO[C@H](CCC[NH+](C)C)C1 ZINC001422099416 927073985 /nfs/dbraw/zinc/07/39/85/927073985.db2.gz HJIHNERSOVSFSU-JKSUJKDBSA-N 2 2 299.459 0.750 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[N@H+](C)CCCO ZINC001422214676 927151896 /nfs/dbraw/zinc/15/18/96/927151896.db2.gz OGJJOTVSNOEYLZ-LBPRGKRZSA-N 2 2 282.388 0.361 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[N@@H+](C)CCCO ZINC001422214676 927151900 /nfs/dbraw/zinc/15/19/00/927151900.db2.gz OGJJOTVSNOEYLZ-LBPRGKRZSA-N 2 2 282.388 0.361 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[N@H+](C)CCCO ZINC001422214676 927151909 /nfs/dbraw/zinc/15/19/09/927151909.db2.gz OGJJOTVSNOEYLZ-LBPRGKRZSA-N 2 2 282.388 0.361 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[N@@H+](C)CCCO ZINC001422214676 927151916 /nfs/dbraw/zinc/15/19/16/927151916.db2.gz OGJJOTVSNOEYLZ-LBPRGKRZSA-N 2 2 282.388 0.361 20 0 CCADLP Cc1nocc1C[N@@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001422233200 927164862 /nfs/dbraw/zinc/16/48/62/927164862.db2.gz HZCLACQSXZMEJS-UHFFFAOYSA-N 2 2 294.399 0.969 20 0 CCADLP Cc1nocc1C[N@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001422233200 927164875 /nfs/dbraw/zinc/16/48/75/927164875.db2.gz HZCLACQSXZMEJS-UHFFFAOYSA-N 2 2 294.399 0.969 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001423045116 927645219 /nfs/dbraw/zinc/64/52/19/927645219.db2.gz JALYNRBMLBDCJZ-PWSUYJOCSA-N 2 2 295.387 0.409 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001423045116 927645224 /nfs/dbraw/zinc/64/52/24/927645224.db2.gz JALYNRBMLBDCJZ-PWSUYJOCSA-N 2 2 295.387 0.409 20 0 CCADLP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]C[C@H]1CCOC1 ZINC001423141252 927691011 /nfs/dbraw/zinc/69/10/11/927691011.db2.gz SHHYVRLUCULQIP-VXGBXAGGSA-N 2 2 280.372 0.425 20 0 CCADLP CC(C)C[NH2+][C@H](CO)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001423289720 927790484 /nfs/dbraw/zinc/79/04/84/927790484.db2.gz MICZBLUEFPAARB-STQMWFEESA-N 2 2 282.388 0.557 20 0 CCADLP Cc1ncoc1C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001423311033 927803929 /nfs/dbraw/zinc/80/39/29/927803929.db2.gz HDCQHZLONMDUHB-UHFFFAOYSA-N 2 2 289.339 0.618 20 0 CCADLP C[C@H]1CC[C@@H](C[NH2+]C2(CNC(=O)Cn3cc[nH+]c3)CC2)O1 ZINC001423313765 927805419 /nfs/dbraw/zinc/80/54/19/927805419.db2.gz UYBFGTNEVKDNNK-STQMWFEESA-N 2 2 292.383 0.689 20 0 CCADLP CC[N@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001423527351 927908706 /nfs/dbraw/zinc/90/87/06/927908706.db2.gz BPZSLYOEJOBTAT-NSHDSACASA-N 2 2 282.388 0.458 20 0 CCADLP CC[N@@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001423527351 927908712 /nfs/dbraw/zinc/90/87/12/927908712.db2.gz BPZSLYOEJOBTAT-NSHDSACASA-N 2 2 282.388 0.458 20 0 CCADLP CCC[NH+]1CC(CCO)(NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001425101486 928434998 /nfs/dbraw/zinc/43/49/98/928434998.db2.gz AWEQZOZEGICHOD-UHFFFAOYSA-N 2 2 297.443 0.824 20 0 CCADLP C[C@@H](O)C[NH+]1CCC([C@H](C)NC(=O)Cn2cc[nH+]c2)CC1 ZINC001426208031 928789626 /nfs/dbraw/zinc/78/96/26/928789626.db2.gz FQKBYYLTPNPGPV-OLZOCXBDSA-N 2 2 294.399 0.481 20 0 CCADLP C[C@@H](CC[NH+](C)C)C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC001363045235 928802298 /nfs/dbraw/zinc/80/22/98/928802298.db2.gz CXHAPBWRAUDUJH-ZDUSSCGKSA-N 2 2 285.432 0.801 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCN1CCc2[nH+]ccc(N)c2C1 ZINC001363288264 929080299 /nfs/dbraw/zinc/08/02/99/929080299.db2.gz AAWCJVLYINVBFF-LBPRGKRZSA-N 2 2 276.384 0.743 20 0 CCADLP C[C@H]1COCC[N@H+]1CCN1CCc2[nH+]ccc(N)c2C1 ZINC001363288264 929080309 /nfs/dbraw/zinc/08/03/09/929080309.db2.gz AAWCJVLYINVBFF-LBPRGKRZSA-N 2 2 276.384 0.743 20 0 CCADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001363641634 929444997 /nfs/dbraw/zinc/44/49/97/929444997.db2.gz PFXLHZRPOALHQH-VXGBXAGGSA-N 2 2 296.371 0.196 20 0 CCADLP COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001363641634 929445004 /nfs/dbraw/zinc/44/50/04/929445004.db2.gz PFXLHZRPOALHQH-VXGBXAGGSA-N 2 2 296.371 0.196 20 0 CCADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001363670239 929471650 /nfs/dbraw/zinc/47/16/50/929471650.db2.gz BGLJEWCARQKNBJ-VXGBXAGGSA-N 2 2 290.367 0.035 20 0 CCADLP C[NH+](C)CC[C@](C)(O)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001363708241 929506450 /nfs/dbraw/zinc/50/64/50/929506450.db2.gz NAOKZUDFJMNTCL-DOMZBBRYSA-N 2 2 294.399 0.264 20 0 CCADLP C[C@@H]1COCCN1CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001363803320 929592383 /nfs/dbraw/zinc/59/23/83/929592383.db2.gz DCYMZVNGUYIKGQ-ZBFHGGJFSA-N 2 2 297.443 0.238 20 0 CCADLP C[C@@H]1COCCN1CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001363803320 929592393 /nfs/dbraw/zinc/59/23/93/929592393.db2.gz DCYMZVNGUYIKGQ-ZBFHGGJFSA-N 2 2 297.443 0.238 20 0 CCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H](C)CC[NH+](C)C ZINC001443594998 929657830 /nfs/dbraw/zinc/65/78/30/929657830.db2.gz CUGVACOWWNLBHL-KBPBESRZSA-N 2 2 284.448 0.326 20 0 CCADLP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1nnc(C)[nH]1 ZINC001443894905 929733418 /nfs/dbraw/zinc/73/34/18/929733418.db2.gz HTYGMPDCAYWSPP-RYUDHWBXSA-N 2 2 294.403 0.192 20 0 CCADLP CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1nnc(C)[nH]1 ZINC001443894905 929733427 /nfs/dbraw/zinc/73/34/27/929733427.db2.gz HTYGMPDCAYWSPP-RYUDHWBXSA-N 2 2 294.403 0.192 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[N@H+](C)C[C@@H]1CCOC1 ZINC001372183197 929759910 /nfs/dbraw/zinc/75/99/10/929759910.db2.gz NAUMIUVLFBMXMY-LBPRGKRZSA-N 2 2 280.372 0.047 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[N@@H+](C)C[C@@H]1CCOC1 ZINC001372183197 929759921 /nfs/dbraw/zinc/75/99/21/929759921.db2.gz NAUMIUVLFBMXMY-LBPRGKRZSA-N 2 2 280.372 0.047 20 0 CCADLP CC[N@H+](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C[C@@H](C)O ZINC001372370940 929820360 /nfs/dbraw/zinc/82/03/60/929820360.db2.gz YYRWOQAXKHZCHB-CHWSQXEVSA-N 2 2 294.399 0.264 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C[C@@H](C)O ZINC001372370940 929820366 /nfs/dbraw/zinc/82/03/66/929820366.db2.gz YYRWOQAXKHZCHB-CHWSQXEVSA-N 2 2 294.399 0.264 20 0 CCADLP CC[N@H+](CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)C[C@H](C)O ZINC001372370957 929820479 /nfs/dbraw/zinc/82/04/79/929820479.db2.gz YYRWOQAXKHZCHB-STQMWFEESA-N 2 2 294.399 0.264 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)C[C@H](C)O ZINC001372370957 929820493 /nfs/dbraw/zinc/82/04/93/929820493.db2.gz YYRWOQAXKHZCHB-STQMWFEESA-N 2 2 294.399 0.264 20 0 CCADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)CC[C@@H]1CCCO1 ZINC001372489571 929853396 /nfs/dbraw/zinc/85/33/96/929853396.db2.gz SYHIVGMGKIECRH-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)CC[C@@H]1CCCO1 ZINC001372489571 929853405 /nfs/dbraw/zinc/85/34/05/929853405.db2.gz SYHIVGMGKIECRH-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001372632207 929900737 /nfs/dbraw/zinc/90/07/37/929900737.db2.gz IPRLGWBOBUPICB-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001372632207 929900744 /nfs/dbraw/zinc/90/07/44/929900744.db2.gz IPRLGWBOBUPICB-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@H](C[NH2+]Cc1cnsn1)N(C)C(=O)CC[NH+](C)C ZINC001444665095 929927295 /nfs/dbraw/zinc/92/72/95/929927295.db2.gz LHVHRBITYKGCMT-SNVBAGLBSA-N 2 2 285.417 0.426 20 0 CCADLP CC(C)[C@@H](C(=O)NC1C[NH+](C[C@@H](C)O)C1)[NH+]1CCCC1 ZINC001373490312 930216926 /nfs/dbraw/zinc/21/69/26/930216926.db2.gz QZNXNRQDVHPBOX-OCCSQVGLSA-N 2 2 283.416 0.288 20 0 CCADLP COCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001445762664 930242011 /nfs/dbraw/zinc/24/20/11/930242011.db2.gz LCAZODYNFHWLKC-STQMWFEESA-N 2 2 294.399 0.528 20 0 CCADLP COCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001445762664 930242019 /nfs/dbraw/zinc/24/20/19/930242019.db2.gz LCAZODYNFHWLKC-STQMWFEESA-N 2 2 294.399 0.528 20 0 CCADLP Cc1cnc(C[NH2+]C2(CNC(=O)CC[NH+](C)C)CC2)o1 ZINC001446226165 930371423 /nfs/dbraw/zinc/37/14/23/930371423.db2.gz GFVFVACOZXSAHM-UHFFFAOYSA-N 2 2 280.372 0.673 20 0 CCADLP CN(C(=O)CC[NH+](C)C)C1C[NH+](CCc2ccnn2C)C1 ZINC001446373176 930402425 /nfs/dbraw/zinc/40/24/25/930402425.db2.gz ONDYPJLAFOYGMA-UHFFFAOYSA-N 2 2 293.415 0.057 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]C[C@H]1CCOC1 ZINC001374090041 930421074 /nfs/dbraw/zinc/42/10/74/930421074.db2.gz IVFULXRVRIFVIL-NWDGAFQWSA-N 2 2 280.372 0.331 20 0 CCADLP Cc1cc(C)c(C(=O)NC[C@@H](O)C[NH2+]C[C@@H](C)O)c(C)[nH+]1 ZINC001374632922 930600927 /nfs/dbraw/zinc/60/09/27/930600927.db2.gz VOZBTRMKUFJVLD-YPMHNXCESA-N 2 2 295.383 0.068 20 0 CCADLP Cc1cc(C)c(C(=O)NC[C@@H](O)C[NH2+]C[C@H](C)O)c(C)[nH+]1 ZINC001374632913 930601518 /nfs/dbraw/zinc/60/15/18/930601518.db2.gz VOZBTRMKUFJVLD-AAEUAGOBSA-N 2 2 295.383 0.068 20 0 CCADLP C[C@H](C[NH2+]C[C@H]1CCOC1)NC(=O)CCc1[nH+]ccn1C ZINC001374788025 930665174 /nfs/dbraw/zinc/66/51/74/930665174.db2.gz DTVNPHIZCZDIQK-CHWSQXEVSA-N 2 2 294.399 0.484 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001447748024 930693593 /nfs/dbraw/zinc/69/35/93/930693593.db2.gz LSNUMQRLAZLMHZ-OLZOCXBDSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)[NH2+]CCn1cccn1 ZINC001447918482 930754262 /nfs/dbraw/zinc/75/42/62/930754262.db2.gz YUSHOHVDTHCFAH-VXGBXAGGSA-N 2 2 290.371 0.332 20 0 CCADLP C[C@H](C[N@H+](C)CCCO)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001375066792 930781733 /nfs/dbraw/zinc/78/17/33/930781733.db2.gz YGOZFFVUULTGAS-CHWSQXEVSA-N 2 2 294.399 0.264 20 0 CCADLP C[C@H](C[N@@H+](C)CCCO)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001375066792 930781738 /nfs/dbraw/zinc/78/17/38/930781738.db2.gz YGOZFFVUULTGAS-CHWSQXEVSA-N 2 2 294.399 0.264 20 0 CCADLP COCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001448046891 930799694 /nfs/dbraw/zinc/79/96/94/930799694.db2.gz NZBSORBRGJSSSA-OLZOCXBDSA-N 2 2 294.399 0.528 20 0 CCADLP COCC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001448046891 930799705 /nfs/dbraw/zinc/79/97/05/930799705.db2.gz NZBSORBRGJSSSA-OLZOCXBDSA-N 2 2 294.399 0.528 20 0 CCADLP C[C@H](CNC(=O)CCCn1cc[nH+]c1)[N@@H+](C)C[C@H](C)O ZINC001448141347 930832584 /nfs/dbraw/zinc/83/25/84/930832584.db2.gz POQRMEUJBHLATN-OLZOCXBDSA-N 2 2 282.388 0.481 20 0 CCADLP C[C@H](CNC(=O)CCCn1cc[nH+]c1)[N@H+](C)C[C@H](C)O ZINC001448141347 930832593 /nfs/dbraw/zinc/83/25/93/930832593.db2.gz POQRMEUJBHLATN-OLZOCXBDSA-N 2 2 282.388 0.481 20 0 CCADLP C[C@@H]([NH2+]CCF)[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001448463156 930893931 /nfs/dbraw/zinc/89/39/31/930893931.db2.gz ITJOIOOWHGJGBJ-DGCLKSJQSA-N 2 2 298.362 0.138 20 0 CCADLP C[C@H](CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2)[NH2+]CCO ZINC001448646691 930936459 /nfs/dbraw/zinc/93/64/59/930936459.db2.gz IGHQXUSHNLOZSL-GFCCVEGCSA-N 2 2 294.399 0.191 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)C1C[NH+](CCn2cccn2)C1 ZINC001375714965 930957566 /nfs/dbraw/zinc/95/75/66/930957566.db2.gz HVDUOINPHYXVBB-UHFFFAOYSA-N 2 2 293.415 0.368 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)C1C[NH+](CCn2cccn2)C1 ZINC001375714965 930957575 /nfs/dbraw/zinc/95/75/75/930957575.db2.gz HVDUOINPHYXVBB-UHFFFAOYSA-N 2 2 293.415 0.368 20 0 CCADLP CCc1nnc(C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C)o1 ZINC001448725700 930959584 /nfs/dbraw/zinc/95/95/84/930959584.db2.gz WUJUOFAPEDZFDC-NSHDSACASA-N 2 2 297.403 0.520 20 0 CCADLP C[C@@H](O)CCC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001376069009 931042295 /nfs/dbraw/zinc/04/22/95/931042295.db2.gz KIAKVEUCZBVSHR-ZIAGYGMSSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@@H](O)CCC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001376069009 931042300 /nfs/dbraw/zinc/04/23/00/931042300.db2.gz KIAKVEUCZBVSHR-ZIAGYGMSSA-N 2 2 294.399 0.625 20 0 CCADLP CCCN(C(=O)Cc1[nH]cc[nH+]1)C1CC[NH+](CCO)CC1 ZINC001376186950 931083612 /nfs/dbraw/zinc/08/36/12/931083612.db2.gz YQRQCNFPDAFQGV-UHFFFAOYSA-N 2 2 294.399 0.648 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001376250669 931105189 /nfs/dbraw/zinc/10/51/89/931105189.db2.gz MTCJRTXBSXZJEO-PWSUYJOCSA-N 2 2 280.372 0.472 20 0 CCADLP C[C@H](O)C[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC001376804481 931281331 /nfs/dbraw/zinc/28/13/31/931281331.db2.gz WESSJKODGFLZOX-RYUDHWBXSA-N 2 2 294.399 0.598 20 0 CCADLP C[C@H](O)C[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC001376804481 931281338 /nfs/dbraw/zinc/28/13/38/931281338.db2.gz WESSJKODGFLZOX-RYUDHWBXSA-N 2 2 294.399 0.598 20 0 CCADLP C[C@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+]C[C@H]1CCOC1 ZINC001376868539 931307971 /nfs/dbraw/zinc/30/79/71/931307971.db2.gz KIZOYRINETUGTI-CHWSQXEVSA-N 2 2 294.399 0.484 20 0 CCADLP C[C@@H]1C[C@H](C)[C@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)O1 ZINC000337404891 214058040 /nfs/dbraw/zinc/05/80/40/214058040.db2.gz MYJWNZPSVSXAFJ-GZBFAFLISA-N 2 2 297.443 0.942 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccnn2C)CC1 ZINC000091073599 349449055 /nfs/dbraw/zinc/44/90/55/349449055.db2.gz TUTONDAGJOCNTD-UHFFFAOYSA-N 2 2 260.345 0.476 20 0 CCADLP Cc1nc2[nH]ccc2c(N2CCC([NH2+]CCO)CC2)[nH+]1 ZINC000092689434 349502690 /nfs/dbraw/zinc/50/26/90/349502690.db2.gz HPXVWDWATZKVLN-UHFFFAOYSA-N 2 2 275.356 0.817 20 0 CCADLP [NH3+]C1CC[NH+](CC(=O)NC[C@@H]2Cc3ccccc3O2)CC1 ZINC000092714276 349503452 /nfs/dbraw/zinc/50/34/52/349503452.db2.gz PDJYKXSKGMBVPU-AWEZNQCLSA-N 2 2 289.379 0.529 20 0 CCADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCCCn1cc[nH+]c1 ZINC000092956399 349515593 /nfs/dbraw/zinc/51/55/93/349515593.db2.gz AGVAELPCKDSVPY-NEPJUHHUSA-N 2 2 250.346 0.778 20 0 CCADLP COC(=O)[C@@]1(OC)CC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000599558213 361735871 /nfs/dbraw/zinc/73/58/71/361735871.db2.gz FHYZHVWPHAKIDK-CYBMUJFWSA-N 2 2 267.329 0.455 20 0 CCADLP COC(=O)[C@@]1(OC)CC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000599558213 361735877 /nfs/dbraw/zinc/73/58/77/361735877.db2.gz FHYZHVWPHAKIDK-CYBMUJFWSA-N 2 2 267.329 0.455 20 0 CCADLP O=C(CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N1CCOCC1 ZINC000095962940 185044788 /nfs/dbraw/zinc/04/47/88/185044788.db2.gz YGOADTWZKJPTRN-ZDUSSCGKSA-N 2 2 292.383 0.838 20 0 CCADLP O=C(CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N1CCOCC1 ZINC000095962940 185044790 /nfs/dbraw/zinc/04/47/90/185044790.db2.gz YGOADTWZKJPTRN-ZDUSSCGKSA-N 2 2 292.383 0.838 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCSC(C)(C)C2)CC1 ZINC000093188449 349529732 /nfs/dbraw/zinc/52/97/32/349529732.db2.gz GJXHYFCCURVTDN-UHFFFAOYSA-N 2 2 271.430 0.588 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCSC(C)(C)C2)CC1 ZINC000093188449 349529735 /nfs/dbraw/zinc/52/97/35/349529735.db2.gz GJXHYFCCURVTDN-UHFFFAOYSA-N 2 2 271.430 0.588 20 0 CCADLP Cn1cc(Cl)cc1C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093189273 349530224 /nfs/dbraw/zinc/53/02/24/349530224.db2.gz ZPKZUNRNZQPBBX-UHFFFAOYSA-N 2 2 298.818 0.884 20 0 CCADLP Cn1cc(Cl)cc1C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093189273 349530227 /nfs/dbraw/zinc/53/02/27/349530227.db2.gz ZPKZUNRNZQPBBX-UHFFFAOYSA-N 2 2 298.818 0.884 20 0 CCADLP O=C([C@H]1C[NH2+]Cc2ccccc21)N1CC[NH+](CCO)CC1 ZINC000082802937 178302524 /nfs/dbraw/zinc/30/25/24/178302524.db2.gz FEHMTTMNGXWLPR-HNNXBMFYSA-N 2 2 289.379 0.010 20 0 CCADLP C[NH+](C)CC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000617483211 365648487 /nfs/dbraw/zinc/64/84/87/365648487.db2.gz LPSAAVOZJILPAV-UHFFFAOYSA-N 2 2 262.357 0.860 20 0 CCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC000617505416 365659079 /nfs/dbraw/zinc/65/90/79/365659079.db2.gz BOOLSQOEGVBQKF-GJZGRUSLSA-N 3 2 298.475 0.859 20 0 CCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC000617505416 365659083 /nfs/dbraw/zinc/65/90/83/365659083.db2.gz BOOLSQOEGVBQKF-GJZGRUSLSA-N 3 2 298.475 0.859 20 0 CCADLP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000617505416 365659084 /nfs/dbraw/zinc/65/90/84/365659084.db2.gz BOOLSQOEGVBQKF-GJZGRUSLSA-N 3 2 298.475 0.859 20 0 CCADLP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000617505416 365659086 /nfs/dbraw/zinc/65/90/86/365659086.db2.gz BOOLSQOEGVBQKF-GJZGRUSLSA-N 3 2 298.475 0.859 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)NC(=O)NC(C)(C)C)CC[C@@H]1[NH3+] ZINC000094341791 349566646 /nfs/dbraw/zinc/56/66/46/349566646.db2.gz IGMSDXYYHZALHQ-UWVGGRQHSA-N 2 2 270.377 0.280 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)CC[C@@H]1[NH3+] ZINC000094341791 349566649 /nfs/dbraw/zinc/56/66/49/349566649.db2.gz IGMSDXYYHZALHQ-UWVGGRQHSA-N 2 2 270.377 0.280 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)NCCC[NH2+]C2CC2)CCO1 ZINC000418301908 529391602 /nfs/dbraw/zinc/39/16/02/529391602.db2.gz PIVRIEVXLRSUAA-CQSZACIVSA-N 2 2 298.431 0.539 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCCC[NH2+]C2CC2)CCO1 ZINC000418301908 529391605 /nfs/dbraw/zinc/39/16/05/529391605.db2.gz PIVRIEVXLRSUAA-CQSZACIVSA-N 2 2 298.431 0.539 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)CCO1 ZINC000418604105 529392575 /nfs/dbraw/zinc/39/25/75/529392575.db2.gz OPCHECHNGMYYFP-BFHYXJOUSA-N 2 2 298.431 0.537 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)CCO1 ZINC000418604105 529392579 /nfs/dbraw/zinc/39/25/79/529392579.db2.gz OPCHECHNGMYYFP-BFHYXJOUSA-N 2 2 298.431 0.537 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000096785780 349622822 /nfs/dbraw/zinc/62/28/22/349622822.db2.gz RHQYRPOUMHQVQF-LBPRGKRZSA-N 2 2 262.357 0.610 20 0 CCADLP C[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000237237323 290638771 /nfs/dbraw/zinc/63/87/71/290638771.db2.gz PHQJKGNKTMFRGD-AWEZNQCLSA-N 2 2 277.368 0.396 20 0 CCADLP CN(C)S(=O)(=O)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000375577040 282157264 /nfs/dbraw/zinc/15/72/64/282157264.db2.gz IKXAGTZMLCZUMS-OLZOCXBDSA-N 2 2 289.445 0.294 20 0 CCADLP CN(C)S(=O)(=O)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000375577040 282157266 /nfs/dbraw/zinc/15/72/66/282157266.db2.gz IKXAGTZMLCZUMS-OLZOCXBDSA-N 2 2 289.445 0.294 20 0 CCADLP CN(C)S(=O)(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000375577040 282157270 /nfs/dbraw/zinc/15/72/70/282157270.db2.gz IKXAGTZMLCZUMS-OLZOCXBDSA-N 2 2 289.445 0.294 20 0 CCADLP CN(C)S(=O)(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000375577040 282157272 /nfs/dbraw/zinc/15/72/72/282157272.db2.gz IKXAGTZMLCZUMS-OLZOCXBDSA-N 2 2 289.445 0.294 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000492924555 529559617 /nfs/dbraw/zinc/55/96/17/529559617.db2.gz NENOPEUQRMZMTN-QMAVJUDZSA-N 2 2 278.356 0.363 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000492924555 529559618 /nfs/dbraw/zinc/55/96/18/529559618.db2.gz NENOPEUQRMZMTN-QMAVJUDZSA-N 2 2 278.356 0.363 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000493802060 529559985 /nfs/dbraw/zinc/55/99/85/529559985.db2.gz IOFPCLVZFSLDAZ-DLRQAJBASA-N 2 2 264.329 0.021 20 0 CCADLP COC(=O)CCCC[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000600710581 362040004 /nfs/dbraw/zinc/04/00/04/362040004.db2.gz PAATYTWLTRICCJ-QWHCGFSZSA-N 2 2 280.372 0.490 20 0 CCADLP COC(=O)CCCC[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000600710581 362040014 /nfs/dbraw/zinc/04/00/14/362040014.db2.gz PAATYTWLTRICCJ-QWHCGFSZSA-N 2 2 280.372 0.490 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000600949962 362096383 /nfs/dbraw/zinc/09/63/83/362096383.db2.gz ASGCTLHKNUUZBN-NWDGAFQWSA-N 2 2 250.346 0.872 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC000600949962 362096389 /nfs/dbraw/zinc/09/63/89/362096389.db2.gz ASGCTLHKNUUZBN-NWDGAFQWSA-N 2 2 250.346 0.872 20 0 CCADLP C[C@@H](C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)[NH+](C)C ZINC000617729618 365740022 /nfs/dbraw/zinc/74/00/22/365740022.db2.gz FVFNNJOCHHMZHA-UTUOFQBUSA-N 2 2 257.378 0.162 20 0 CCADLP C[C@@H](C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)[NH+](C)C ZINC000617729618 365740028 /nfs/dbraw/zinc/74/00/28/365740028.db2.gz FVFNNJOCHHMZHA-UTUOFQBUSA-N 2 2 257.378 0.162 20 0 CCADLP Cc1cn2cc(NC(=O)CN3CC[NH+](C)CC3)ccc2[nH+]1 ZINC000600988157 362118838 /nfs/dbraw/zinc/11/88/38/362118838.db2.gz RYKZSQQXZDTRLH-UHFFFAOYSA-N 2 2 287.367 0.829 20 0 CCADLP CS[C@@H]1CN(c2nc(C)[nH+]c(N)n2)C[C@@H]1[NH+]1CCCC1 ZINC000601145843 362158775 /nfs/dbraw/zinc/15/87/75/362158775.db2.gz SNZLEIAZXUZZNA-WDEREUQCSA-N 2 2 294.428 0.609 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000601270627 362197675 /nfs/dbraw/zinc/19/76/75/362197675.db2.gz XAAGSDYBZXNADW-CQSZACIVSA-N 2 2 298.431 0.444 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000601270627 362197678 /nfs/dbraw/zinc/19/76/78/362197678.db2.gz XAAGSDYBZXNADW-CQSZACIVSA-N 2 2 298.431 0.444 20 0 CCADLP COC(=O)c1coc([C@@H](C)[N@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000601322651 362219865 /nfs/dbraw/zinc/21/98/65/362219865.db2.gz HGROPYUPLGBBQD-LLVKDONJSA-N 2 2 296.371 0.359 20 0 CCADLP COC(=O)c1coc([C@@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000601322651 362219869 /nfs/dbraw/zinc/21/98/69/362219869.db2.gz HGROPYUPLGBBQD-LLVKDONJSA-N 2 2 296.371 0.359 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601333142 362229496 /nfs/dbraw/zinc/22/94/96/362229496.db2.gz BCWKRGBHXNCSKP-SRVKXCTJSA-N 2 2 282.388 0.295 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601333142 362229500 /nfs/dbraw/zinc/22/95/00/362229500.db2.gz BCWKRGBHXNCSKP-SRVKXCTJSA-N 2 2 282.388 0.295 20 0 CCADLP COC(=O)c1cnc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cn1 ZINC000601334945 362230815 /nfs/dbraw/zinc/23/08/15/362230815.db2.gz OVRIZDPZYZYDQG-RISCZKNCSA-N 2 2 290.367 0.837 20 0 CCADLP COC(=O)c1cnc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cn1 ZINC000601334945 362230821 /nfs/dbraw/zinc/23/08/21/362230821.db2.gz OVRIZDPZYZYDQG-RISCZKNCSA-N 2 2 290.367 0.837 20 0 CCADLP Cc1cc(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)on1 ZINC000617764068 365767080 /nfs/dbraw/zinc/76/70/80/365767080.db2.gz HPVDXGNDTMHFQD-UHFFFAOYSA-N 2 2 282.388 0.525 20 0 CCADLP Cc1cc(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)on1 ZINC000617764068 365767082 /nfs/dbraw/zinc/76/70/82/365767082.db2.gz HPVDXGNDTMHFQD-UHFFFAOYSA-N 2 2 282.388 0.525 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCC(C)(C)O ZINC000617764817 365769199 /nfs/dbraw/zinc/76/91/99/365769199.db2.gz IDDSAVNGSOSTNY-UHFFFAOYSA-N 2 2 273.421 0.537 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCC(C)(C)O ZINC000617764817 365769202 /nfs/dbraw/zinc/76/92/02/365769202.db2.gz IDDSAVNGSOSTNY-UHFFFAOYSA-N 2 2 273.421 0.537 20 0 CCADLP C[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)n1cccn1 ZINC000617767329 365773009 /nfs/dbraw/zinc/77/30/09/365773009.db2.gz POTFHBZTOBUQFG-ZDUSSCGKSA-N 2 2 281.404 0.444 20 0 CCADLP C[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1cccn1 ZINC000617767329 365773012 /nfs/dbraw/zinc/77/30/12/365773012.db2.gz POTFHBZTOBUQFG-ZDUSSCGKSA-N 2 2 281.404 0.444 20 0 CCADLP Cc1ccc(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000617767101 365773562 /nfs/dbraw/zinc/77/35/62/365773562.db2.gz HBMFITXELSQZEH-UHFFFAOYSA-N 2 2 292.427 0.932 20 0 CCADLP Cc1ccc(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)cn1 ZINC000617767101 365773568 /nfs/dbraw/zinc/77/35/68/365773568.db2.gz HBMFITXELSQZEH-UHFFFAOYSA-N 2 2 292.427 0.932 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000423753305 529789723 /nfs/dbraw/zinc/78/97/23/529789723.db2.gz XFABAOXOKBDJNF-YRGRVCCFSA-N 2 2 269.389 0.341 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000423753305 529789724 /nfs/dbraw/zinc/78/97/24/529789724.db2.gz XFABAOXOKBDJNF-YRGRVCCFSA-N 2 2 269.389 0.341 20 0 CCADLP CN(C)c1ncc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)s1 ZINC000358179345 529810189 /nfs/dbraw/zinc/81/01/89/529810189.db2.gz ZQYGKCMQDOHSTG-LBPRGKRZSA-N 2 2 270.402 0.365 20 0 CCADLP CN(C)c1ncc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)s1 ZINC000358179345 529810191 /nfs/dbraw/zinc/81/01/91/529810191.db2.gz ZQYGKCMQDOHSTG-LBPRGKRZSA-N 2 2 270.402 0.365 20 0 CCADLP CCOC(=O)CC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000115739111 349860689 /nfs/dbraw/zinc/86/06/89/349860689.db2.gz XNBLMYUYBNNQOX-UHFFFAOYSA-N 2 2 272.389 0.718 20 0 CCADLP CCOC(=O)CC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000115739111 349860695 /nfs/dbraw/zinc/86/06/95/349860695.db2.gz XNBLMYUYBNNQOX-UHFFFAOYSA-N 2 2 272.389 0.718 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@@](C)(CO)c1cccc(O)c1)C1CC1 ZINC000451036518 529942755 /nfs/dbraw/zinc/94/27/55/529942755.db2.gz FRWKQKAXUITIEM-HOTGVXAUSA-N 2 2 294.395 0.644 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@](C)(CO)c1cccc(O)c1)C1CC1 ZINC000451036518 529942757 /nfs/dbraw/zinc/94/27/57/529942757.db2.gz FRWKQKAXUITIEM-HOTGVXAUSA-N 2 2 294.395 0.644 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@H]([C@@H](O)C(F)(F)F)C1)C1CC1 ZINC000451890364 529960002 /nfs/dbraw/zinc/96/00/02/529960002.db2.gz NDLWGQQSSIRWLF-ZMLRMANQSA-N 2 2 296.333 0.687 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H]([C@@H](O)C(F)(F)F)C1)C1CC1 ZINC000451890364 529960003 /nfs/dbraw/zinc/96/00/03/529960003.db2.gz NDLWGQQSSIRWLF-ZMLRMANQSA-N 2 2 296.333 0.687 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1)C1CC1 ZINC000451890364 529960004 /nfs/dbraw/zinc/96/00/04/529960004.db2.gz NDLWGQQSSIRWLF-ZMLRMANQSA-N 2 2 296.333 0.687 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1)C1CC1 ZINC000451890364 529960005 /nfs/dbraw/zinc/96/00/05/529960005.db2.gz NDLWGQQSSIRWLF-ZMLRMANQSA-N 2 2 296.333 0.687 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1)C1CC1 ZINC000451890356 529960009 /nfs/dbraw/zinc/96/00/09/529960009.db2.gz NDLWGQQSSIRWLF-ADEWGFFLSA-N 2 2 296.333 0.687 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1)C1CC1 ZINC000451890356 529960010 /nfs/dbraw/zinc/96/00/10/529960010.db2.gz NDLWGQQSSIRWLF-ADEWGFFLSA-N 2 2 296.333 0.687 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1)C1CC1 ZINC000451890356 529960011 /nfs/dbraw/zinc/96/00/11/529960011.db2.gz NDLWGQQSSIRWLF-ADEWGFFLSA-N 2 2 296.333 0.687 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1)C1CC1 ZINC000451890356 529960012 /nfs/dbraw/zinc/96/00/12/529960012.db2.gz NDLWGQQSSIRWLF-ADEWGFFLSA-N 2 2 296.333 0.687 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000423862031 529979775 /nfs/dbraw/zinc/97/97/75/529979775.db2.gz FCSZIRAHNGHVBA-TZMCWYRMSA-N 2 2 283.416 0.411 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000423862031 529979778 /nfs/dbraw/zinc/97/97/78/529979778.db2.gz FCSZIRAHNGHVBA-TZMCWYRMSA-N 2 2 283.416 0.411 20 0 CCADLP C[NH2+]CCNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000418317958 529975830 /nfs/dbraw/zinc/97/58/30/529975830.db2.gz OIVOFKXIOREZLY-CYBMUJFWSA-N 2 2 291.399 0.689 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000418387305 529983151 /nfs/dbraw/zinc/98/31/51/529983151.db2.gz MFFUTHSAXFIBOO-NXEZZACHSA-N 2 2 278.347 0.386 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000417798625 529998085 /nfs/dbraw/zinc/99/80/85/529998085.db2.gz QZKUJFXJHQERNB-UFBFGSQYSA-N 2 2 271.311 0.936 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)n1C ZINC000602007278 362455306 /nfs/dbraw/zinc/45/53/06/362455306.db2.gz NBUDZRVAYUMLHO-ZDUSSCGKSA-N 2 2 294.399 0.147 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)n1C ZINC000602007278 362455311 /nfs/dbraw/zinc/45/53/11/362455311.db2.gz NBUDZRVAYUMLHO-ZDUSSCGKSA-N 2 2 294.399 0.147 20 0 CCADLP C[N@@H+]1CCN(C(=O)/C=C/c2ccsc2)[C@@H](C[NH3+])C1 ZINC000493609585 530066022 /nfs/dbraw/zinc/06/60/22/530066022.db2.gz DFECXUYRWXCIFX-JDGPPOGSSA-N 2 2 265.382 0.863 20 0 CCADLP C[N@H+]1CCN(C(=O)/C=C/c2ccsc2)[C@@H](C[NH3+])C1 ZINC000493609585 530066023 /nfs/dbraw/zinc/06/60/23/530066023.db2.gz DFECXUYRWXCIFX-JDGPPOGSSA-N 2 2 265.382 0.863 20 0 CCADLP C[N@@H+]1CCN(C(=O)/C=C/c2cccc(F)c2)[C@@H](C[NH3+])C1 ZINC000493050547 530066067 /nfs/dbraw/zinc/06/60/67/530066067.db2.gz NWCYHBAUEHLWJE-GJBLVYBDSA-N 2 2 277.343 0.940 20 0 CCADLP C[N@H+]1CCN(C(=O)/C=C/c2cccc(F)c2)[C@@H](C[NH3+])C1 ZINC000493050547 530066068 /nfs/dbraw/zinc/06/60/68/530066068.db2.gz NWCYHBAUEHLWJE-GJBLVYBDSA-N 2 2 277.343 0.940 20 0 CCADLP O=C(NCCn1cc[nH+]c1)N1CC[NH+]2CCC1CC2 ZINC000334388142 232025603 /nfs/dbraw/zinc/02/56/03/232025603.db2.gz QEDIRBNIZQSRAZ-UHFFFAOYSA-N 2 2 263.345 0.373 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000358488226 232110117 /nfs/dbraw/zinc/11/01/17/232110117.db2.gz AIVMIIKNIHCPSQ-LBPRGKRZSA-N 2 2 294.403 0.187 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@@H]2CCSC2)C[C@@H](C)O1 ZINC000573677248 334956698 /nfs/dbraw/zinc/95/66/98/334956698.db2.gz VHDSBISEFMZMIH-YIYPIFLZSA-N 2 2 288.457 0.799 20 0 CCADLP CC[C@H](OC)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602204113 362557163 /nfs/dbraw/zinc/55/71/63/362557163.db2.gz SBTBPVIZECRNSE-JSGCOSHPSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@H](OC)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602204113 362557165 /nfs/dbraw/zinc/55/71/65/362557165.db2.gz SBTBPVIZECRNSE-JSGCOSHPSA-N 2 2 283.416 0.696 20 0 CCADLP Cn1cc[nH+]c1CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000602347782 362593956 /nfs/dbraw/zinc/59/39/56/362593956.db2.gz NVVUNIHYXVRZLX-CHWSQXEVSA-N 2 2 264.373 0.451 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000602330009 362589002 /nfs/dbraw/zinc/58/90/02/362589002.db2.gz ANAAPJHGTRIWQW-HIFRSBDPSA-N 3 2 294.443 0.365 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000602330009 362589008 /nfs/dbraw/zinc/58/90/08/362589008.db2.gz ANAAPJHGTRIWQW-HIFRSBDPSA-N 3 2 294.443 0.365 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602330009 362589012 /nfs/dbraw/zinc/58/90/12/362589012.db2.gz ANAAPJHGTRIWQW-HIFRSBDPSA-N 3 2 294.443 0.365 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602330009 362589017 /nfs/dbraw/zinc/58/90/17/362589017.db2.gz ANAAPJHGTRIWQW-HIFRSBDPSA-N 3 2 294.443 0.365 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cnc[nH]3)C2)CC1 ZINC000602330534 362589698 /nfs/dbraw/zinc/58/96/98/362589698.db2.gz KNLMAYJXSXQJAR-LLVKDONJSA-N 2 2 277.372 0.308 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cnc[nH]3)C2)CC1 ZINC000602330534 362589699 /nfs/dbraw/zinc/58/96/99/362589699.db2.gz KNLMAYJXSXQJAR-LLVKDONJSA-N 2 2 277.372 0.308 20 0 CCADLP CON(C)C(=O)CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000367378403 232323343 /nfs/dbraw/zinc/32/33/43/232323343.db2.gz RPQJMYNJUOPLCA-CYBMUJFWSA-N 2 2 279.340 0.945 20 0 CCADLP CC1=CC[NH+](CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000339200160 215008725 /nfs/dbraw/zinc/00/87/25/215008725.db2.gz DRAJZEKAMKCHLF-CYBMUJFWSA-N 2 2 267.373 0.085 20 0 CCADLP CC1=CC[NH+](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000339200160 215008726 /nfs/dbraw/zinc/00/87/26/215008726.db2.gz DRAJZEKAMKCHLF-CYBMUJFWSA-N 2 2 267.373 0.085 20 0 CCADLP CC1=CC[N@H+](CCNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000339200160 215008730 /nfs/dbraw/zinc/00/87/30/215008730.db2.gz DRAJZEKAMKCHLF-CYBMUJFWSA-N 2 2 267.373 0.085 20 0 CCADLP CC1=CC[N@@H+](CCNC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000339200160 215008734 /nfs/dbraw/zinc/00/87/34/215008734.db2.gz DRAJZEKAMKCHLF-CYBMUJFWSA-N 2 2 267.373 0.085 20 0 CCADLP COC[C@]1(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CCC[NH2+]1 ZINC000423411677 293295910 /nfs/dbraw/zinc/29/59/10/293295910.db2.gz GDTDNPHIHKXUTN-HZSPNIEDSA-N 3 2 255.406 0.862 20 0 CCADLP CCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](CC)C1 ZINC000617924635 365836591 /nfs/dbraw/zinc/83/65/91/365836591.db2.gz YYXJJFFGQOHWEF-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP CCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000617924635 365836599 /nfs/dbraw/zinc/83/65/99/365836599.db2.gz YYXJJFFGQOHWEF-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP C[C@H]1C[NH+](CCc2c[nH+]cn2C)C[C@H](C)S1=O ZINC000602822809 362820500 /nfs/dbraw/zinc/82/05/00/362820500.db2.gz BKTLOKISQHRYTK-QWRGUYRKSA-N 2 2 255.387 0.804 20 0 CCADLP COC(=O)c1n[nH]c2c1C[N@H+](CCc1c[nH+]cn1C)CC2 ZINC000602841474 362829808 /nfs/dbraw/zinc/82/98/08/362829808.db2.gz SMPWABRLHVIQLQ-UHFFFAOYSA-N 2 2 289.339 0.531 20 0 CCADLP COC(=O)c1n[nH]c2c1C[N@@H+](CCc1c[nH+]cn1C)CC2 ZINC000602841474 362829813 /nfs/dbraw/zinc/82/98/13/362829813.db2.gz SMPWABRLHVIQLQ-UHFFFAOYSA-N 2 2 289.339 0.531 20 0 CCADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)NC1CCCC1 ZINC000261565153 137008429 /nfs/dbraw/zinc/00/84/29/137008429.db2.gz HREAILZQDKIXRW-NWDGAFQWSA-N 2 2 251.374 0.587 20 0 CCADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)NC1CCCC1 ZINC000261565153 137008430 /nfs/dbraw/zinc/00/84/30/137008430.db2.gz HREAILZQDKIXRW-NWDGAFQWSA-N 2 2 251.374 0.587 20 0 CCADLP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261630885 137013108 /nfs/dbraw/zinc/01/31/08/137013108.db2.gz BGSANCWEQMOSJM-MJBXVCDLSA-N 2 2 282.432 0.269 20 0 CCADLP C[C@H]([NH3+])CC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000262367821 137040695 /nfs/dbraw/zinc/04/06/95/137040695.db2.gz WHGHPOMYZAEFON-RYUDHWBXSA-N 2 2 264.373 0.939 20 0 CCADLP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000262665078 137049769 /nfs/dbraw/zinc/04/97/69/137049769.db2.gz PEDUDSJTIICQPG-UKRRQHHQSA-N 2 2 291.395 0.832 20 0 CCADLP CNC(=O)c1ccn([C@H]2CCC[N@H+](CC(C)(C)[NH3+])C2)n1 ZINC000261706067 137016215 /nfs/dbraw/zinc/01/62/15/137016215.db2.gz IMNNJSUCIXSJDW-NSHDSACASA-N 2 2 279.388 0.617 20 0 CCADLP CNC(=O)c1ccn([C@H]2CCC[N@@H+](CC(C)(C)[NH3+])C2)n1 ZINC000261706067 137016216 /nfs/dbraw/zinc/01/62/16/137016216.db2.gz IMNNJSUCIXSJDW-NSHDSACASA-N 2 2 279.388 0.617 20 0 CCADLP O=c1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)nc2sccn21 ZINC000261703311 137016609 /nfs/dbraw/zinc/01/66/09/137016609.db2.gz IQEPVLKPDXCBQD-QWRGUYRKSA-N 2 2 290.392 0.797 20 0 CCADLP O=c1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)nc2sccn21 ZINC000261703311 137016610 /nfs/dbraw/zinc/01/66/10/137016610.db2.gz IQEPVLKPDXCBQD-QWRGUYRKSA-N 2 2 290.392 0.797 20 0 CCADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)NCc1ccc(F)cc1 ZINC000261733337 137017613 /nfs/dbraw/zinc/01/76/13/137017613.db2.gz RIFUZELTMBUECA-UONOGXRCSA-N 2 2 291.370 0.983 20 0 CCADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)NCc1ccc(F)cc1 ZINC000261733337 137017614 /nfs/dbraw/zinc/01/76/14/137017614.db2.gz RIFUZELTMBUECA-UONOGXRCSA-N 2 2 291.370 0.983 20 0 CCADLP C[C@H]([NH3+])CC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000261747472 137018031 /nfs/dbraw/zinc/01/80/31/137018031.db2.gz HBHNXRJSHDDPDT-DZGCQCFKSA-N 2 2 291.395 0.913 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000261813907 137020896 /nfs/dbraw/zinc/02/08/96/137020896.db2.gz SPGZBRLJJSWNBY-ZIAGYGMSSA-N 2 2 283.416 0.731 20 0 CCADLP CC[N@H+](C[C@@]1(C)CC[NH2+]C1)[C@@H](C)CS(C)(=O)=O ZINC000261890510 137024267 /nfs/dbraw/zinc/02/42/67/137024267.db2.gz SZJCTKVNQJXKPM-RYUDHWBXSA-N 2 2 262.419 0.741 20 0 CCADLP CC[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@@H](C)CS(C)(=O)=O ZINC000261890510 137024268 /nfs/dbraw/zinc/02/42/68/137024268.db2.gz SZJCTKVNQJXKPM-RYUDHWBXSA-N 2 2 262.419 0.741 20 0 CCADLP C[C@]1(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[NH2+]C1 ZINC000261917392 137025552 /nfs/dbraw/zinc/02/55/52/137025552.db2.gz ZTTPVRNFOIKYDE-ZFWWWQNUSA-N 2 2 281.400 0.309 20 0 CCADLP C[C@H]([NH3+])CC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000261918154 137025616 /nfs/dbraw/zinc/02/56/16/137025616.db2.gz XHNQBYXZOOSFPP-NSHDSACASA-N 2 2 278.356 0.272 20 0 CCADLP C[C@H]1C[N@H+](CC(C)(C)[NH3+])CC[C@@H]1N1CC[NH+](C)CC1 ZINC000261914687 137025810 /nfs/dbraw/zinc/02/58/10/137025810.db2.gz JSJLFZJOLIYKLS-KBPBESRZSA-N 3 2 268.449 0.682 20 0 CCADLP C[C@H]1C[N@@H+](CC(C)(C)[NH3+])CC[C@@H]1N1CC[NH+](C)CC1 ZINC000261914687 137025811 /nfs/dbraw/zinc/02/58/11/137025811.db2.gz JSJLFZJOLIYKLS-KBPBESRZSA-N 3 2 268.449 0.682 20 0 CCADLP COCc1cnc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)s1 ZINC000262160143 137028662 /nfs/dbraw/zinc/02/86/62/137028662.db2.gz SKBFSGYKVZOVFM-LBPRGKRZSA-N 2 2 296.440 0.769 20 0 CCADLP COCc1cnc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)s1 ZINC000262160143 137028663 /nfs/dbraw/zinc/02/86/63/137028663.db2.gz SKBFSGYKVZOVFM-LBPRGKRZSA-N 2 2 296.440 0.769 20 0 CCADLP COC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000262263258 137033595 /nfs/dbraw/zinc/03/35/95/137033595.db2.gz JOVKKQHOUYNSJC-LLVKDONJSA-N 2 2 283.397 0.196 20 0 CCADLP COC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000262263258 137033596 /nfs/dbraw/zinc/03/35/96/137033596.db2.gz JOVKKQHOUYNSJC-LLVKDONJSA-N 2 2 283.397 0.196 20 0 CCADLP COC[C@H]([NH3+])C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000262333744 137038914 /nfs/dbraw/zinc/03/89/14/137038914.db2.gz RXCJWNQVDVHIDA-MNOVXSKESA-N 2 2 294.399 0.585 20 0 CCADLP C[C@H](C(=O)NC1CCCCC1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000310924289 137073180 /nfs/dbraw/zinc/07/31/80/137073180.db2.gz GLPZXRXZLKTAPD-ZYHUDNBSSA-N 2 2 257.378 0.075 20 0 CCADLP C[C@H](C(=O)NC1CCCCC1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000310924289 137073181 /nfs/dbraw/zinc/07/31/81/137073181.db2.gz GLPZXRXZLKTAPD-ZYHUDNBSSA-N 2 2 257.378 0.075 20 0 CCADLP CCC[C@H](C(=O)OCC)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000312232085 137076896 /nfs/dbraw/zinc/07/68/96/137076896.db2.gz DAXDUFVCMDWNOO-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP CC[N@H+](CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)C1CC1 ZINC000263241422 137061127 /nfs/dbraw/zinc/06/11/27/137061127.db2.gz OQMYCCNPWOJPOX-JTQLQIEISA-N 2 2 261.316 0.584 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)C1CC1 ZINC000263241422 137061128 /nfs/dbraw/zinc/06/11/28/137061128.db2.gz OQMYCCNPWOJPOX-JTQLQIEISA-N 2 2 261.316 0.584 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCC[NH2+][C@H]1C)[NH+]1CCN(C)CC1 ZINC000343476402 137137280 /nfs/dbraw/zinc/13/72/80/137137280.db2.gz MVBLDFHSNGCYAX-RDBSUJKOSA-N 2 2 282.432 0.127 20 0 CCADLP CN(C)C(=O)C[NH+]1CCC([NH2+]CC2=CCCOC2)CC1 ZINC000344153381 137180785 /nfs/dbraw/zinc/18/07/85/137180785.db2.gz NDKZUEGMCILQOT-UHFFFAOYSA-N 2 2 281.400 0.475 20 0 CCADLP C[C@@H](c1nnnn1C)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344028895 137174002 /nfs/dbraw/zinc/17/40/02/137174002.db2.gz ADIOVWQHCXOVCH-LBPRGKRZSA-N 2 2 283.424 0.086 20 0 CCADLP C[C@@H](c1nnnn1C)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344028895 137174003 /nfs/dbraw/zinc/17/40/03/137174003.db2.gz ADIOVWQHCXOVCH-LBPRGKRZSA-N 2 2 283.424 0.086 20 0 CCADLP [NH3+]Cc1cc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)ccn1 ZINC000344101399 137177232 /nfs/dbraw/zinc/17/72/32/137177232.db2.gz DCRUKFMCUBQHIG-CYBMUJFWSA-N 2 2 297.362 0.944 20 0 CCADLP OCC[NH+]1CCN(CCCC[NH2+]Cc2cc[nH]c2)CC1 ZINC000344310529 137188134 /nfs/dbraw/zinc/18/81/34/137188134.db2.gz OFWMMWGKAJQXKB-UHFFFAOYSA-N 2 2 280.416 0.494 20 0 CCADLP C[N@H+](CC(=O)NCCOc1ccccc1)C1CC[NH2+]CC1 ZINC000036301149 348166018 /nfs/dbraw/zinc/16/60/18/348166018.db2.gz IELQQDSLOXTNLI-UHFFFAOYSA-N 2 2 291.395 0.865 20 0 CCADLP C[N@@H+](CC(=O)NCCOc1ccccc1)C1CC[NH2+]CC1 ZINC000036301149 348166021 /nfs/dbraw/zinc/16/60/21/348166021.db2.gz IELQQDSLOXTNLI-UHFFFAOYSA-N 2 2 291.395 0.865 20 0 CCADLP Cc1[nH]c2ccc(NC(=O)[C@@H]3C[C@H](O)C[NH2+]3)cc2[nH+]1 ZINC000037042054 348183466 /nfs/dbraw/zinc/18/34/66/348183466.db2.gz KPABCFAQPCYCBB-CABZTGNLSA-N 2 2 260.297 0.533 20 0 CCADLP CC(C)[NH2+]CCC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000037618483 348193812 /nfs/dbraw/zinc/19/38/12/348193812.db2.gz UEBSIDUMKYZWHJ-LBPRGKRZSA-N 2 2 257.378 0.211 20 0 CCADLP CCCC[C@@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000037619775 348194155 /nfs/dbraw/zinc/19/41/55/348194155.db2.gz VGNFPZMCZSQZKG-VXGBXAGGSA-N 2 2 257.378 0.341 20 0 CCADLP O=C(C[C@H]1CCC[NH2+]1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000042169763 348268666 /nfs/dbraw/zinc/26/86/66/348268666.db2.gz UCSCWXHLJUZMSM-OAHLLOKOSA-N 2 2 288.395 0.868 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@H]([NH3+])CC(F)F)c[nH+]1 ZINC000345729361 137248268 /nfs/dbraw/zinc/24/82/68/137248268.db2.gz WSEQVVMCMUBEOC-SECBINFHSA-N 2 2 272.299 0.746 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000043304183 348307181 /nfs/dbraw/zinc/30/71/81/348307181.db2.gz HTEONMZYEMULJU-MJBXVCDLSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000043304183 348307184 /nfs/dbraw/zinc/30/71/84/348307184.db2.gz HTEONMZYEMULJU-MJBXVCDLSA-N 2 2 283.416 0.648 20 0 CCADLP O=C(NCCNc1cc[nH+]cc1)c1ccc2[nH+]ccn2c1 ZINC000346256361 137275360 /nfs/dbraw/zinc/27/53/60/137275360.db2.gz IQUOFBNGFXRMEO-UHFFFAOYSA-N 2 2 281.319 0.993 20 0 CCADLP COC(=O)[C@]1(C)C[C@H](OC)C[N@@H+]1CCn1cc[nH+]c1C ZINC000602934251 362895107 /nfs/dbraw/zinc/89/51/07/362895107.db2.gz FWMFORAVPMHCFK-JSGCOSHPSA-N 2 2 281.356 0.844 20 0 CCADLP COC(=O)[C@]1(C)C[C@H](OC)C[N@H+]1CCn1cc[nH+]c1C ZINC000602934251 362895109 /nfs/dbraw/zinc/89/51/09/362895109.db2.gz FWMFORAVPMHCFK-JSGCOSHPSA-N 2 2 281.356 0.844 20 0 CCADLP COc1c(C[N@H+](C)C2CC[NH2+]CC2)c(C)nn1C ZINC000346992317 137314959 /nfs/dbraw/zinc/31/49/59/137314959.db2.gz AONUZFHRIWMBSL-UHFFFAOYSA-N 2 2 252.362 0.921 20 0 CCADLP COc1c(C[N@@H+](C)C2CC[NH2+]CC2)c(C)nn1C ZINC000346992317 137314960 /nfs/dbraw/zinc/31/49/60/137314960.db2.gz AONUZFHRIWMBSL-UHFFFAOYSA-N 2 2 252.362 0.921 20 0 CCADLP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000346989607 137315011 /nfs/dbraw/zinc/31/50/11/137315011.db2.gz RYVDIXMGNBWYAU-OLZOCXBDSA-N 2 2 267.373 0.012 20 0 CCADLP CN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000346989607 137315012 /nfs/dbraw/zinc/31/50/12/137315012.db2.gz RYVDIXMGNBWYAU-OLZOCXBDSA-N 2 2 267.373 0.012 20 0 CCADLP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000346989607 137315013 /nfs/dbraw/zinc/31/50/13/137315013.db2.gz RYVDIXMGNBWYAU-OLZOCXBDSA-N 2 2 267.373 0.012 20 0 CCADLP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000346989607 137315014 /nfs/dbraw/zinc/31/50/14/137315014.db2.gz RYVDIXMGNBWYAU-OLZOCXBDSA-N 2 2 267.373 0.012 20 0 CCADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cn(Cc4cccnc4)nn3)C[C@H]12 ZINC000346842223 137307569 /nfs/dbraw/zinc/30/75/69/137307569.db2.gz HSMKQMSHIVWWCF-VNQPRFMTSA-N 2 2 298.394 0.891 20 0 CCADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cn(Cc4cccnc4)nn3)C[C@H]12 ZINC000346842223 137307570 /nfs/dbraw/zinc/30/75/70/137307570.db2.gz HSMKQMSHIVWWCF-VNQPRFMTSA-N 2 2 298.394 0.891 20 0 CCADLP O=C([C@H]1CCC[N@H+](Cc2csnn2)C1)N1CC[NH2+]CC1 ZINC000347209871 137325420 /nfs/dbraw/zinc/32/54/20/137325420.db2.gz OAQIOFWHWJAFAC-NSHDSACASA-N 2 2 295.412 0.182 20 0 CCADLP O=C([C@H]1CCC[N@@H+](Cc2csnn2)C1)N1CC[NH2+]CC1 ZINC000347209871 137325421 /nfs/dbraw/zinc/32/54/21/137325421.db2.gz OAQIOFWHWJAFAC-NSHDSACASA-N 2 2 295.412 0.182 20 0 CCADLP NC(=O)COc1cccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000128905789 187397755 /nfs/dbraw/zinc/39/77/55/187397755.db2.gz BNTHYWPYQHGYKV-CYBMUJFWSA-N 2 2 289.379 0.877 20 0 CCADLP NC(=O)COc1cccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000128905789 187397756 /nfs/dbraw/zinc/39/77/56/187397756.db2.gz BNTHYWPYQHGYKV-CYBMUJFWSA-N 2 2 289.379 0.877 20 0 CCADLP Cc1cnn(C)c1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000347667771 137349017 /nfs/dbraw/zinc/34/90/17/137349017.db2.gz DCOSTFTZIWVNCC-UHFFFAOYSA-N 2 2 291.443 0.942 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+](C)CCNC(=O)N(C)C ZINC000348926576 137381150 /nfs/dbraw/zinc/38/11/50/137381150.db2.gz IWDVKQQAUCLDOF-UHFFFAOYSA-N 2 2 253.350 0.395 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+](C)CCNC(=O)N(C)C ZINC000348926576 137381151 /nfs/dbraw/zinc/38/11/51/137381151.db2.gz IWDVKQQAUCLDOF-UHFFFAOYSA-N 2 2 253.350 0.395 20 0 CCADLP [NH3+][C@@H]1C[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000050461312 348476263 /nfs/dbraw/zinc/47/62/63/348476263.db2.gz ASBXAWYHZXWRHX-LSDHHAIUSA-N 2 2 289.379 0.482 20 0 CCADLP CC[NH+]1CCC([N@H+](C)CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000053298983 348524435 /nfs/dbraw/zinc/52/44/35/348524435.db2.gz GBULTPLOUXEXEH-UHFFFAOYSA-N 3 2 282.432 0.224 20 0 CCADLP CC[NH+]1CCC([N@@H+](C)CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000053298983 348524441 /nfs/dbraw/zinc/52/44/41/348524441.db2.gz GBULTPLOUXEXEH-UHFFFAOYSA-N 3 2 282.432 0.224 20 0 CCADLP Cn1ncc2c1nc[nH+]c2N1CCC(CC[NH3+])CC1 ZINC000053705713 348533392 /nfs/dbraw/zinc/53/33/92/348533392.db2.gz CRTQTWHQAWNPQH-UHFFFAOYSA-N 2 2 260.345 0.929 20 0 CCADLP CCCc1nc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)no1 ZINC000063179961 348681660 /nfs/dbraw/zinc/68/16/60/348681660.db2.gz PDHKGZKKWOMYME-LLVKDONJSA-N 2 2 295.387 0.309 20 0 CCADLP CCCc1nc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)no1 ZINC000063179961 348681664 /nfs/dbraw/zinc/68/16/64/348681664.db2.gz PDHKGZKKWOMYME-LLVKDONJSA-N 2 2 295.387 0.309 20 0 CCADLP CCCc1nc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)no1 ZINC000063179960 348681790 /nfs/dbraw/zinc/68/17/90/348681790.db2.gz PDHKGZKKWOMYME-NSHDSACASA-N 2 2 295.387 0.309 20 0 CCADLP CCCc1nc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)no1 ZINC000063179960 348681795 /nfs/dbraw/zinc/68/17/95/348681795.db2.gz PDHKGZKKWOMYME-NSHDSACASA-N 2 2 295.387 0.309 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCOC)CC1 ZINC000063684070 348689304 /nfs/dbraw/zinc/68/93/04/348689304.db2.gz GGTUNEIFRCXPHN-UHFFFAOYSA-N 2 2 257.378 0.119 20 0 CCADLP O=C(C[NH+]1CCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000066697139 348754061 /nfs/dbraw/zinc/75/40/61/348754061.db2.gz KDVJFPQQDQVETH-UHFFFAOYSA-N 2 2 274.368 0.826 20 0 CCADLP CC[C@@H](OC)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000068467688 348811106 /nfs/dbraw/zinc/81/11/06/348811106.db2.gz QXWFYHSVZCGYJD-CQSZACIVSA-N 2 2 285.432 0.896 20 0 CCADLP CC[C@@H](OC)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000068467688 348811108 /nfs/dbraw/zinc/81/11/08/348811108.db2.gz QXWFYHSVZCGYJD-CQSZACIVSA-N 2 2 285.432 0.896 20 0 CCADLP c1cnn(CC[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000069858822 348863500 /nfs/dbraw/zinc/86/35/00/348863500.db2.gz MUCOYBIDXAPHNG-HNNXBMFYSA-N 2 2 278.400 0.927 20 0 CCADLP c1cnn(CC[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000069858822 348863501 /nfs/dbraw/zinc/86/35/01/348863501.db2.gz MUCOYBIDXAPHNG-HNNXBMFYSA-N 2 2 278.400 0.927 20 0 CCADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cnc(N(C)C)n1C ZINC000070143912 348873435 /nfs/dbraw/zinc/87/34/35/348873435.db2.gz IJARXGGOLKGZGF-NSHDSACASA-N 2 2 253.394 0.916 20 0 CCADLP C[C@@H](CC[NH+](C)C)NCc1c[nH+]c(N(C)C)n1C ZINC000070143912 348873438 /nfs/dbraw/zinc/87/34/38/348873438.db2.gz IJARXGGOLKGZGF-NSHDSACASA-N 2 2 253.394 0.916 20 0 CCADLP COCC[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000073860810 348964321 /nfs/dbraw/zinc/96/43/21/348964321.db2.gz VOIFMFSGOGJLQF-UHFFFAOYSA-N 2 2 250.346 0.862 20 0 CCADLP CCNC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075836111 349053434 /nfs/dbraw/zinc/05/34/34/349053434.db2.gz HVGNKRXXXALSIG-ZDUSSCGKSA-N 2 2 253.390 0.930 20 0 CCADLP CCNC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075836111 349053437 /nfs/dbraw/zinc/05/34/37/349053437.db2.gz HVGNKRXXXALSIG-ZDUSSCGKSA-N 2 2 253.390 0.930 20 0 CCADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000076897785 349093741 /nfs/dbraw/zinc/09/37/41/349093741.db2.gz PNLREDLTDJGOFM-ZDUSSCGKSA-N 2 2 291.395 0.986 20 0 CCADLP CC[NH+]1CCC([N@H+](C)CC(=O)NC2CCOCC2)CC1 ZINC000077249009 349104501 /nfs/dbraw/zinc/10/45/01/349104501.db2.gz VAOKZDSJSCYOKJ-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+]1CCC([N@@H+](C)CC(=O)NC2CCOCC2)CC1 ZINC000077249009 349104505 /nfs/dbraw/zinc/10/45/05/349104505.db2.gz VAOKZDSJSCYOKJ-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP Cc1nc(N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)cc[nH+]1 ZINC000078297063 349132631 /nfs/dbraw/zinc/13/26/31/349132631.db2.gz SGADTIALCZVOAY-UHFFFAOYSA-N 2 2 299.382 0.968 20 0 CCADLP O=C(NCCn1cc[nH+]c1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000079254372 349171424 /nfs/dbraw/zinc/17/14/24/349171424.db2.gz CESNCXAGXWEQSO-GFCCVEGCSA-N 2 2 277.372 0.667 20 0 CCADLP O=C(NCCn1cc[nH+]c1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000079254372 349171428 /nfs/dbraw/zinc/17/14/28/349171428.db2.gz CESNCXAGXWEQSO-GFCCVEGCSA-N 2 2 277.372 0.667 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2CCO[C@@H](C)C2)C[C@H](C)[NH+]1C ZINC000339627084 215277076 /nfs/dbraw/zinc/27/70/76/215277076.db2.gz DYPDDIOXBABFBO-MJBXVCDLSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2CCO[C@@H](C)C2)C[C@H](C)[NH+]1C ZINC000339627084 215277079 /nfs/dbraw/zinc/27/70/79/215277079.db2.gz DYPDDIOXBABFBO-MJBXVCDLSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1CN(CC[NH+]2CCO[C@@H](C)C2)C[C@H](C)[N@@H+]1C ZINC000339627084 215277080 /nfs/dbraw/zinc/27/70/80/215277080.db2.gz DYPDDIOXBABFBO-MJBXVCDLSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1CN(CC[NH+]2CCO[C@@H](C)C2)C[C@H](C)[N@H+]1C ZINC000339627084 215277082 /nfs/dbraw/zinc/27/70/82/215277082.db2.gz DYPDDIOXBABFBO-MJBXVCDLSA-N 2 2 255.406 0.732 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC(=O)NC)[C@H](C)C1 ZINC000081096082 349246472 /nfs/dbraw/zinc/24/64/72/349246472.db2.gz NSVZVWAANYHMJZ-GHMZBOCLSA-N 2 2 270.377 0.104 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC(=O)NC)[C@H](C)C1 ZINC000081096082 349246475 /nfs/dbraw/zinc/24/64/75/349246475.db2.gz NSVZVWAANYHMJZ-GHMZBOCLSA-N 2 2 270.377 0.104 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC(=O)NC)[C@H](C)C1 ZINC000081096082 349246479 /nfs/dbraw/zinc/24/64/79/349246479.db2.gz NSVZVWAANYHMJZ-GHMZBOCLSA-N 2 2 270.377 0.104 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC(=O)NC)[C@H](C)C1 ZINC000081096082 349246482 /nfs/dbraw/zinc/24/64/82/349246482.db2.gz NSVZVWAANYHMJZ-GHMZBOCLSA-N 2 2 270.377 0.104 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+](CCO)CC1)[NH+]1CCCCCC1 ZINC000087083510 349347389 /nfs/dbraw/zinc/34/73/89/349347389.db2.gz GKWUBNMGEHPMRF-AWEZNQCLSA-N 2 2 283.416 0.387 20 0 CCADLP [NH3+]C1(C(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000088130810 349356362 /nfs/dbraw/zinc/35/63/62/349356362.db2.gz RHTPSPVGMLUTOO-UHFFFAOYSA-N 2 2 289.379 0.626 20 0 CCADLP C[N@@H+]1CCN(C(=O)CC2=CCCCC2)[C@@H](C[NH3+])C1 ZINC000122593808 350066752 /nfs/dbraw/zinc/06/67/52/350066752.db2.gz SRCILPPWGVOXLD-ZDUSSCGKSA-N 2 2 251.374 0.978 20 0 CCADLP C[N@H+]1CCN(C(=O)CC2=CCCCC2)[C@@H](C[NH3+])C1 ZINC000122593808 350066755 /nfs/dbraw/zinc/06/67/55/350066755.db2.gz SRCILPPWGVOXLD-ZDUSSCGKSA-N 2 2 251.374 0.978 20 0 CCADLP C[N@H+](CCC[NH+]1CCCCC1)CC(=O)N1CCOCC1 ZINC000125157395 350116294 /nfs/dbraw/zinc/11/62/94/350116294.db2.gz YQVBBMUJKCVIMC-UHFFFAOYSA-N 2 2 283.416 0.653 20 0 CCADLP C[N@@H+](CCC[NH+]1CCCCC1)CC(=O)N1CCOCC1 ZINC000125157395 350116295 /nfs/dbraw/zinc/11/62/95/350116295.db2.gz YQVBBMUJKCVIMC-UHFFFAOYSA-N 2 2 283.416 0.653 20 0 CCADLP CC(C)(CNC(=O)c1csc(C[NH3+])n1)[NH+]1CCOCC1 ZINC000090931403 180065032 /nfs/dbraw/zinc/06/50/32/180065032.db2.gz ULSIGXMSFBJRAD-UHFFFAOYSA-N 2 2 298.412 0.442 20 0 CCADLP COC(=O)[C@H](C)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000126412603 350145643 /nfs/dbraw/zinc/14/56/43/350145643.db2.gz FUDWRCYLZKEILF-LBPRGKRZSA-N 2 2 271.405 0.506 20 0 CCADLP COC(=O)[C@H](C)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000126412603 350145645 /nfs/dbraw/zinc/14/56/45/350145645.db2.gz FUDWRCYLZKEILF-LBPRGKRZSA-N 2 2 271.405 0.506 20 0 CCADLP C[NH2+]CCC[N@H+](C)CC(=O)NCc1ccccc1OC ZINC000127223923 350164745 /nfs/dbraw/zinc/16/47/45/350164745.db2.gz BYKPOZGHQYBIPG-UHFFFAOYSA-N 2 2 279.384 0.853 20 0 CCADLP C[NH2+]CCC[N@@H+](C)CC(=O)NCc1ccccc1OC ZINC000127223923 350164748 /nfs/dbraw/zinc/16/47/48/350164748.db2.gz BYKPOZGHQYBIPG-UHFFFAOYSA-N 2 2 279.384 0.853 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cnccn1 ZINC000128050460 350183422 /nfs/dbraw/zinc/18/34/22/350183422.db2.gz USGBDTXOUXJUAD-STQMWFEESA-N 2 2 291.399 0.715 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cnccn1 ZINC000128050460 350183424 /nfs/dbraw/zinc/18/34/24/350183424.db2.gz USGBDTXOUXJUAD-STQMWFEESA-N 2 2 291.399 0.715 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCc2cnn(C)c2)n1C ZINC000128132002 350186815 /nfs/dbraw/zinc/18/68/15/350186815.db2.gz ZEWIYYSFLYKOLZ-UHFFFAOYSA-N 2 2 262.361 0.552 20 0 CCADLP CC[NH+]1CCN(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000105302240 186051851 /nfs/dbraw/zinc/05/18/51/186051851.db2.gz RBWNYGIVWGDHHR-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000130461752 350238237 /nfs/dbraw/zinc/23/82/37/350238237.db2.gz UILJSEWSDKHUSU-CHWSQXEVSA-N 2 2 269.389 0.437 20 0 CCADLP C[C@@H](O)C[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000131151910 350264817 /nfs/dbraw/zinc/26/48/17/350264817.db2.gz RGYOPEWIFOTCFL-HIFRSBDPSA-N 2 2 266.385 0.792 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000131151910 350264819 /nfs/dbraw/zinc/26/48/19/350264819.db2.gz RGYOPEWIFOTCFL-HIFRSBDPSA-N 2 2 266.385 0.792 20 0 CCADLP C[C@@H](O)C[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000131151910 350264822 /nfs/dbraw/zinc/26/48/22/350264822.db2.gz RGYOPEWIFOTCFL-HIFRSBDPSA-N 2 2 266.385 0.792 20 0 CCADLP C[C@@H](O)C[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000131151910 350264825 /nfs/dbraw/zinc/26/48/25/350264825.db2.gz RGYOPEWIFOTCFL-HIFRSBDPSA-N 2 2 266.385 0.792 20 0 CCADLP COCC(=O)N1CCC([NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000131224592 350268421 /nfs/dbraw/zinc/26/84/21/350268421.db2.gz DDZRDQWWUBRMKJ-TZMCWYRMSA-N 2 2 295.427 0.839 20 0 CCADLP COCC(=O)N1CCC([NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000131224592 350268424 /nfs/dbraw/zinc/26/84/24/350268424.db2.gz DDZRDQWWUBRMKJ-TZMCWYRMSA-N 2 2 295.427 0.839 20 0 CCADLP Cc1nn(C)c2ncc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc12 ZINC000131396842 350273635 /nfs/dbraw/zinc/27/36/35/350273635.db2.gz OSJDIIZYSIWSCW-HNNXBMFYSA-N 2 2 291.399 0.679 20 0 CCADLP Cn1c(C[NH2+]C[C@](C)(O)C[NH+](C)C)nc2ccccc21 ZINC000131364057 350274070 /nfs/dbraw/zinc/27/40/70/350274070.db2.gz WBJQKZGLAAJPQA-HNNXBMFYSA-N 2 2 276.384 0.976 20 0 CCADLP C[C@@]([NH2+]CCn1cc[nH+]c1)(C(N)=O)c1ccccc1 ZINC000131932689 350292117 /nfs/dbraw/zinc/29/21/17/350292117.db2.gz UTLUNJKHHWLVBS-AWEZNQCLSA-N 2 2 258.325 0.873 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000131968673 350293236 /nfs/dbraw/zinc/29/32/36/350293236.db2.gz OCVCLKFQDWCRTC-GFCCVEGCSA-N 2 2 280.372 0.140 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000092135600 180332518 /nfs/dbraw/zinc/33/25/18/180332518.db2.gz UNLXJODCCKWUGM-LLVKDONJSA-N 2 2 257.378 0.069 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)SCC[NH+](C)C)CC1 ZINC000339740523 215321168 /nfs/dbraw/zinc/32/11/68/215321168.db2.gz JTJHUBBYVGJSBU-LBPRGKRZSA-N 2 2 273.446 0.834 20 0 CCADLP CN1CCC[C@@H]([NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)C1=O ZINC000539811869 290901915 /nfs/dbraw/zinc/90/19/15/290901915.db2.gz OHSBYCKBVGTKJF-GFCCVEGCSA-N 2 2 277.372 0.148 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)N3CCCC3)C2)CC1 ZINC000107368692 186172204 /nfs/dbraw/zinc/17/22/04/186172204.db2.gz JYBVUBNWFVOPHE-HNNXBMFYSA-N 2 2 294.443 0.321 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N3CCCC3)C2)CC1 ZINC000107368692 186172206 /nfs/dbraw/zinc/17/22/06/186172206.db2.gz JYBVUBNWFVOPHE-HNNXBMFYSA-N 2 2 294.443 0.321 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)C[N@H+](CC)C2CC2)CC1 ZINC000152436913 350528775 /nfs/dbraw/zinc/52/87/75/350528775.db2.gz SGQXGJDZIGBDFN-UHFFFAOYSA-N 2 2 283.416 0.651 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)C[N@@H+](CC)C2CC2)CC1 ZINC000152436913 350528778 /nfs/dbraw/zinc/52/87/78/350528778.db2.gz SGQXGJDZIGBDFN-UHFFFAOYSA-N 2 2 283.416 0.651 20 0 CCADLP CN(Cc1cccs1)C(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107575522 186179126 /nfs/dbraw/zinc/17/91/26/186179126.db2.gz JBRSNAXIXIYOOW-TXEJJXNPSA-N 2 2 279.409 0.858 20 0 CCADLP CN(Cc1cccs1)C(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107575522 186179128 /nfs/dbraw/zinc/17/91/28/186179128.db2.gz JBRSNAXIXIYOOW-TXEJJXNPSA-N 2 2 279.409 0.858 20 0 CCADLP COC(=O)c1coc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000352541102 137499648 /nfs/dbraw/zinc/49/96/48/137499648.db2.gz UCXBTFJDQFPUTK-ZDUSSCGKSA-N 2 2 293.367 0.546 20 0 CCADLP CCO[C@H]1C[C@]([NH3+])(C(=O)N(C)Cc2[nH]cc[nH+]2)C1(C)C ZINC000157314035 350642929 /nfs/dbraw/zinc/64/29/29/350642929.db2.gz NGZVTSVAIOSRIC-HZMBPMFUSA-N 2 2 280.372 0.901 20 0 CCADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@H](CO)C1 ZINC000157426079 350644675 /nfs/dbraw/zinc/64/46/75/350644675.db2.gz UHXGNWBFSZASKJ-JKSUJKDBSA-N 2 2 278.396 0.794 20 0 CCADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@H](CO)C1 ZINC000157426079 350644677 /nfs/dbraw/zinc/64/46/77/350644677.db2.gz UHXGNWBFSZASKJ-JKSUJKDBSA-N 2 2 278.396 0.794 20 0 CCADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CC[C@H](CO)C1 ZINC000157426079 350644680 /nfs/dbraw/zinc/64/46/80/350644680.db2.gz UHXGNWBFSZASKJ-JKSUJKDBSA-N 2 2 278.396 0.794 20 0 CCADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CC[C@H](CO)C1 ZINC000157426079 350644682 /nfs/dbraw/zinc/64/46/82/350644682.db2.gz UHXGNWBFSZASKJ-JKSUJKDBSA-N 2 2 278.396 0.794 20 0 CCADLP CCC(CC)[C@@H](C(=O)N[C@@H](C[NH3+])C1CC1)[NH+]1CCOCC1 ZINC000159203678 350672662 /nfs/dbraw/zinc/67/26/62/350672662.db2.gz NTSOQZRZRKSPIY-GJZGRUSLSA-N 2 2 297.443 0.977 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000163211685 350762877 /nfs/dbraw/zinc/76/28/77/350762877.db2.gz AOZXYSPRZRXPTP-MNOVXSKESA-N 2 2 270.377 0.137 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000163211685 350762878 /nfs/dbraw/zinc/76/28/78/350762878.db2.gz AOZXYSPRZRXPTP-MNOVXSKESA-N 2 2 270.377 0.137 20 0 CCADLP CSCCCCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000162315545 350742010 /nfs/dbraw/zinc/74/20/10/350742010.db2.gz HQPGFHLPHDAHNV-NSHDSACASA-N 2 2 259.419 0.621 20 0 CCADLP CSCCCCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000162315545 350742013 /nfs/dbraw/zinc/74/20/13/350742013.db2.gz HQPGFHLPHDAHNV-NSHDSACASA-N 2 2 259.419 0.621 20 0 CCADLP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)CC[NH3+] ZINC000168181236 350821913 /nfs/dbraw/zinc/82/19/13/350821913.db2.gz IGGWDCOHSYWZHU-GFCCVEGCSA-N 2 2 297.424 0.929 20 0 CCADLP C[C@H](C(=O)N1CC[NH+](Cc2cccnc2)CC1)C1C[NH2+]C1 ZINC000164256392 350777502 /nfs/dbraw/zinc/77/75/02/350777502.db2.gz LFXCPAMOVODNFT-ZDUSSCGKSA-N 2 2 288.395 0.581 20 0 CCADLP O=C(C[NH2+]C[C@H]1CCCO1)NCCCNc1cccc[nH+]1 ZINC000165237309 350788504 /nfs/dbraw/zinc/78/85/04/350788504.db2.gz PZNXNLCNFAWWED-CYBMUJFWSA-N 2 2 292.383 0.768 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000165263180 350788765 /nfs/dbraw/zinc/78/87/65/350788765.db2.gz BRTRDNSKZFWGTQ-LLVKDONJSA-N 2 2 264.373 0.734 20 0 CCADLP O=C(C[C@H]1CCC[NH2+]1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000165683807 350792505 /nfs/dbraw/zinc/79/25/05/350792505.db2.gz SJXZLIXXBJRGSF-ZIAGYGMSSA-N 2 2 281.400 0.452 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1cccs1 ZINC000170219022 350842716 /nfs/dbraw/zinc/84/27/16/350842716.db2.gz FSNOWINEDDVZEM-UHFFFAOYSA-N 2 2 267.398 0.954 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1cccs1 ZINC000170219022 350842719 /nfs/dbraw/zinc/84/27/19/350842719.db2.gz FSNOWINEDDVZEM-UHFFFAOYSA-N 2 2 267.398 0.954 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000111270930 186384042 /nfs/dbraw/zinc/38/40/42/186384042.db2.gz UIEBQZNEGCJSHB-VXGBXAGGSA-N 2 2 269.389 0.069 20 0 CCADLP C[NH+](C)CC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000171368559 350903845 /nfs/dbraw/zinc/90/38/45/350903845.db2.gz WJMYUGMZJSOBBX-UHFFFAOYSA-N 2 2 262.357 0.860 20 0 CCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(C2CC2)[nH]n1 ZINC000531357244 358458383 /nfs/dbraw/zinc/45/83/83/358458383.db2.gz GYNWDOYPQMOHKU-UHFFFAOYSA-N 2 2 293.415 0.853 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC([C@@H](C)O)CC2)CC1 ZINC000171969975 350947868 /nfs/dbraw/zinc/94/78/68/350947868.db2.gz GFYKLLSMTZQWFM-UONOGXRCSA-N 2 2 297.443 0.632 20 0 CCADLP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000174642312 351096273 /nfs/dbraw/zinc/09/62/73/351096273.db2.gz GQPLSQKNVQXHOB-AWEZNQCLSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)CC[N@@H+]1C ZINC000178520450 351233368 /nfs/dbraw/zinc/23/33/68/351233368.db2.gz ZBQXNLBQOFVINW-KBPBESRZSA-N 3 2 269.433 0.906 20 0 CCADLP COC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccc(C)[nH+]c2C)nn1 ZINC000603237110 363017250 /nfs/dbraw/zinc/01/72/50/363017250.db2.gz ZGHIGPDJADKWJA-ZDUSSCGKSA-N 2 2 289.339 0.381 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)[C@H]3C[NH2+]CCO3)cn21 ZINC000188194899 351578860 /nfs/dbraw/zinc/57/88/60/351578860.db2.gz KUGKSPQXKGZIJK-GFCCVEGCSA-N 2 2 274.324 0.247 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)c2c[nH+]ccc2N)CC1 ZINC000188227057 351581609 /nfs/dbraw/zinc/58/16/09/351581609.db2.gz XIACGXMQGFVLQD-UHFFFAOYSA-N 2 2 292.383 0.847 20 0 CCADLP CC(C)(C)CC[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000188269083 351584355 /nfs/dbraw/zinc/58/43/55/351584355.db2.gz AMRMNWHPORZUCX-AWEZNQCLSA-N 2 2 297.443 0.945 20 0 CCADLP COc1cc[nH+]cc1NC(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188748679 351625143 /nfs/dbraw/zinc/62/51/43/351625143.db2.gz FXKUFFYNPKVEII-UHFFFAOYSA-N 2 2 273.296 0.711 20 0 CCADLP CC[NH+](CC)[C@@H](C)CNC(=O)NCC[NH+]1CCOCC1 ZINC000192905360 351803135 /nfs/dbraw/zinc/80/31/35/351803135.db2.gz CZLIGEDPDQPDSG-ZDUSSCGKSA-N 2 2 286.420 0.348 20 0 CCADLP C[C@@H]([NH3+])CCC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000193296739 351821219 /nfs/dbraw/zinc/82/12/19/351821219.db2.gz JQZLCQPNXPBCAF-GFCCVEGCSA-N 2 2 292.383 0.662 20 0 CCADLP C[NH2+]CC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000193129650 351812353 /nfs/dbraw/zinc/81/23/53/351812353.db2.gz JHTQGPVMHZLHNE-UHFFFAOYSA-N 2 2 282.413 0.705 20 0 CCADLP C[NH2+]CC(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000193129650 351812357 /nfs/dbraw/zinc/81/23/57/351812357.db2.gz JHTQGPVMHZLHNE-UHFFFAOYSA-N 2 2 282.413 0.705 20 0 CCADLP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000193681241 351840570 /nfs/dbraw/zinc/84/05/70/351840570.db2.gz CHRCKJBWIKJWNC-ZWNOBZJWSA-N 2 2 258.325 0.949 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000226031297 352018563 /nfs/dbraw/zinc/01/85/63/352018563.db2.gz PMQZJANLPBFFTE-QWRGUYRKSA-N 2 2 270.377 0.281 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000226031297 352018566 /nfs/dbraw/zinc/01/85/66/352018566.db2.gz PMQZJANLPBFFTE-QWRGUYRKSA-N 2 2 270.377 0.281 20 0 CCADLP COCC[C@@](C)(O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000230196770 352107487 /nfs/dbraw/zinc/10/74/87/352107487.db2.gz APEVTMRPNLKHOJ-CYBMUJFWSA-N 2 2 270.377 0.363 20 0 CCADLP COC(=O)[C@H]1CN(c2cc[nH+]cc2F)CC[N@H+](C)C1 ZINC000603399859 363111546 /nfs/dbraw/zinc/11/15/46/363111546.db2.gz HLGGBFAKBRVPQQ-SNVBAGLBSA-N 2 2 267.304 0.762 20 0 CCADLP COC(=O)[C@H]1CN(c2cc[nH+]cc2F)CC[N@@H+](C)C1 ZINC000603399859 363111548 /nfs/dbraw/zinc/11/15/48/363111548.db2.gz HLGGBFAKBRVPQQ-SNVBAGLBSA-N 2 2 267.304 0.762 20 0 CCADLP CC(C)([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000236797110 352215947 /nfs/dbraw/zinc/21/59/47/352215947.db2.gz IKPYMZUVVFPZGJ-CQSZACIVSA-N 2 2 291.395 0.741 20 0 CCADLP CC(C)([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000236797110 352215951 /nfs/dbraw/zinc/21/59/51/352215951.db2.gz IKPYMZUVVFPZGJ-CQSZACIVSA-N 2 2 291.395 0.741 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CSC[NH2+]1 ZINC000236827019 352219148 /nfs/dbraw/zinc/21/91/48/352219148.db2.gz PIIWHDKBBVEXMI-WDEREUQCSA-N 2 2 257.403 0.640 20 0 CCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CSC[NH2+]1 ZINC000236827019 352219149 /nfs/dbraw/zinc/21/91/49/352219149.db2.gz PIIWHDKBBVEXMI-WDEREUQCSA-N 2 2 257.403 0.640 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CCC[NH2+]C1 ZINC000655413535 412562737 /nfs/dbraw/zinc/56/27/37/412562737.db2.gz CMIQAWYRVLUUFS-RWMBFGLXSA-N 2 2 276.384 0.950 20 0 CCADLP CCN(CC)c1ccc(CNC(=O)[C@H]2COCC[NH2+]2)c[nH+]1 ZINC000236913386 352228116 /nfs/dbraw/zinc/22/81/16/352228116.db2.gz IFVPUJVATQWJFO-CYBMUJFWSA-N 2 2 292.383 0.532 20 0 CCADLP COc1ccccc1[C@H](NC(=O)[C@H](C)[NH3+])c1[nH+]ccn1C ZINC000237278910 352257666 /nfs/dbraw/zinc/25/76/66/352257666.db2.gz CQYDRILPNXYNTI-GWCFXTLKSA-N 2 2 288.351 0.982 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@@H](C)[NH2+]1 ZINC000655415640 412563093 /nfs/dbraw/zinc/56/30/93/412563093.db2.gz ONWXHSJHDQRGGX-UTUOFQBUSA-N 2 2 262.357 0.654 20 0 CCADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@](C)(O)CO ZINC000684536404 545698495 /nfs/dbraw/zinc/69/84/95/545698495.db2.gz DBPKPPAHRICCDL-FVQBIDKESA-N 2 2 278.396 0.840 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@](C)(O)CO ZINC000684536404 545698496 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CC[N@@H+]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000556713886 291001152 /nfs/dbraw/zinc/00/11/52/291001152.db2.gz XACDSPDLOURVLJ-NEPJUHHUSA-N 2 2 250.346 0.824 20 0 CCADLP CC[N@H+]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000556713886 291001153 /nfs/dbraw/zinc/00/11/53/291001153.db2.gz XACDSPDLOURVLJ-NEPJUHHUSA-N 2 2 250.346 0.824 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)NCC[NH+]1CCSCC1 ZINC000283648787 353521116 /nfs/dbraw/zinc/52/11/16/353521116.db2.gz CTKQDOLTDCIXDW-OWOJBTEDSA-N 2 2 266.370 0.588 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)Cn1cc[nH+]c1C ZINC000556719317 291001758 /nfs/dbraw/zinc/00/17/58/291001758.db2.gz DUKJPJWVJKECMR-LBPRGKRZSA-N 2 2 250.346 0.744 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)Cn1cc[nH+]c1C ZINC000556719317 291001761 /nfs/dbraw/zinc/00/17/61/291001761.db2.gz DUKJPJWVJKECMR-LBPRGKRZSA-N 2 2 250.346 0.744 20 0 CCADLP C[C@H](CCC[NH3+])NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655463969 412582292 /nfs/dbraw/zinc/58/22/92/412582292.db2.gz BQPBXHZTCMKFAH-MNOVXSKESA-N 2 2 250.346 0.689 20 0 CCADLP Cc1nocc1C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000293608189 353823953 /nfs/dbraw/zinc/82/39/53/353823953.db2.gz PKDUTCKEIHMPJP-GFCCVEGCSA-N 2 2 266.345 0.412 20 0 CCADLP Cc1nocc1C[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000293608189 353823957 /nfs/dbraw/zinc/82/39/57/353823957.db2.gz PKDUTCKEIHMPJP-GFCCVEGCSA-N 2 2 266.345 0.412 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)NCC[NH+]1CCOCC1 ZINC000298968100 353980599 /nfs/dbraw/zinc/98/05/99/353980599.db2.gz MNRYZFPFQKEBLZ-UHFFFAOYSA-N 2 2 295.387 0.213 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[NH+]1CCCCC1 ZINC000299694438 354040400 /nfs/dbraw/zinc/04/04/00/354040400.db2.gz XJSPNMIIWRXKSR-UHFFFAOYSA-N 2 2 250.346 0.875 20 0 CCADLP CCCNC(=O)CCC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000299510076 354023720 /nfs/dbraw/zinc/02/37/20/354023720.db2.gz CEVBSPZIPRGBBB-UHFFFAOYSA-N 2 2 293.415 0.849 20 0 CCADLP COC[C@H](C[NH2+]Cc1c[nH+]c(N(C)C)n1C)OC ZINC000300578843 354066460 /nfs/dbraw/zinc/06/64/60/354066460.db2.gz SHNBTLIOTJBBGY-NSHDSACASA-N 2 2 256.350 0.237 20 0 CCADLP C[C@@H](NC(=O)NCC[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000606611640 363296192 /nfs/dbraw/zinc/29/61/92/363296192.db2.gz WAVZZQANESLBPO-CYBMUJFWSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cccc2c[nH]nc21 ZINC000305207294 354139126 /nfs/dbraw/zinc/13/91/26/354139126.db2.gz DESGIGOIBPBZGJ-AWEZNQCLSA-N 2 2 262.357 0.965 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)C1CCOCC1 ZINC000310808593 354191626 /nfs/dbraw/zinc/19/16/26/354191626.db2.gz BRZUYAGUFZKGRG-ZDUSSCGKSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)C1CCOCC1 ZINC000310808593 354191628 /nfs/dbraw/zinc/19/16/28/354191628.db2.gz BRZUYAGUFZKGRG-ZDUSSCGKSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)C1CCOCC1 ZINC000310808593 354191629 /nfs/dbraw/zinc/19/16/29/354191629.db2.gz BRZUYAGUFZKGRG-ZDUSSCGKSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)C1CCOCC1 ZINC000310808593 354191632 /nfs/dbraw/zinc/19/16/32/354191632.db2.gz BRZUYAGUFZKGRG-ZDUSSCGKSA-N 2 2 260.378 0.036 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000310795685 354192147 /nfs/dbraw/zinc/19/21/47/354192147.db2.gz VYSDUHPCPXQGQE-GHMZBOCLSA-N 2 2 250.346 0.944 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000311491482 354200440 /nfs/dbraw/zinc/20/04/40/354200440.db2.gz UQUHJQHEOVPPQD-AAEUAGOBSA-N 2 2 270.377 0.010 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000311491482 354200444 /nfs/dbraw/zinc/20/04/44/354200444.db2.gz UQUHJQHEOVPPQD-AAEUAGOBSA-N 2 2 270.377 0.010 20 0 CCADLP CN(C(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1)C1CCCCC1 ZINC000313345988 354213663 /nfs/dbraw/zinc/21/36/63/354213663.db2.gz JIOXLAYVANXEJW-AWEZNQCLSA-N 2 2 283.416 0.827 20 0 CCADLP CN(C(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1)C1CCCCC1 ZINC000313345988 354213668 /nfs/dbraw/zinc/21/36/68/354213668.db2.gz JIOXLAYVANXEJW-AWEZNQCLSA-N 2 2 283.416 0.827 20 0 CCADLP CC[NH+](CC)CCCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000557137256 291023524 /nfs/dbraw/zinc/02/35/24/291023524.db2.gz FQAOBKKRQPVQSP-ZDUSSCGKSA-N 3 2 285.436 0.003 20 0 CCADLP CC[NH+](CC)CCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000557137256 291023526 /nfs/dbraw/zinc/02/35/26/291023526.db2.gz FQAOBKKRQPVQSP-ZDUSSCGKSA-N 3 2 285.436 0.003 20 0 CCADLP COC(=O)[C@H]1C[N@H+](CCCc2c[nH+]cn2C)CCO1 ZINC000314111402 354221936 /nfs/dbraw/zinc/22/19/36/354221936.db2.gz KEUCDWVQDCERIK-GFCCVEGCSA-N 2 2 267.329 0.227 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)CCO1 ZINC000314111402 354221938 /nfs/dbraw/zinc/22/19/38/354221938.db2.gz KEUCDWVQDCERIK-GFCCVEGCSA-N 2 2 267.329 0.227 20 0 CCADLP Cc1cccn2c(NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)c[nH+]c12 ZINC000619015391 366156440 /nfs/dbraw/zinc/15/64/40/366156440.db2.gz ZMAXNIQTPJEPGJ-CYBMUJFWSA-N 2 2 299.378 0.971 20 0 CCADLP Cc1cccn2c(NC(=O)[C@H]3C[N@H+]4CCN3CCC4)c[nH+]c12 ZINC000619015391 366156445 /nfs/dbraw/zinc/15/64/45/366156445.db2.gz ZMAXNIQTPJEPGJ-CYBMUJFWSA-N 2 2 299.378 0.971 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000330404051 354346208 /nfs/dbraw/zinc/34/62/08/354346208.db2.gz CTZSNWWVGDPBLL-CHWSQXEVSA-N 2 2 279.388 0.024 20 0 CCADLP CS[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH+](C)C ZINC000557244777 291028210 /nfs/dbraw/zinc/02/82/10/291028210.db2.gz ZHCVQNBSTVHFJO-WDEREUQCSA-N 2 2 268.386 0.387 20 0 CCADLP CC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000331335608 354539843 /nfs/dbraw/zinc/53/98/43/354539843.db2.gz QFLFMIOORHWRPQ-AAEUAGOBSA-N 2 2 251.330 0.929 20 0 CCADLP CC(=O)[C@@](C)(O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000331335608 354539848 /nfs/dbraw/zinc/53/98/48/354539848.db2.gz QFLFMIOORHWRPQ-AAEUAGOBSA-N 2 2 251.330 0.929 20 0 CCADLP CC[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)[C@@H]1CCC[NH2+]1 ZINC000333804541 354797954 /nfs/dbraw/zinc/79/79/54/354797954.db2.gz IIJGOPNVMCCKBN-UPJWGTAASA-N 2 2 289.445 0.531 20 0 CCADLP C[NH2+][C@@H]1CCCN(C(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000333857791 354806134 /nfs/dbraw/zinc/80/61/34/354806134.db2.gz YQWJPIKDRABNLB-CYBMUJFWSA-N 2 2 296.415 0.245 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000333863338 354806588 /nfs/dbraw/zinc/80/65/88/354806588.db2.gz ZVMOALXHDVTNLY-MGPQQGTHSA-N 2 2 298.431 0.394 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC=C(F)C2)CC1 ZINC000336374385 213227653 /nfs/dbraw/zinc/22/76/53/213227653.db2.gz HOWRYPPACGGBPJ-UHFFFAOYSA-N 2 2 255.337 0.710 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC=C(F)C2)CC1 ZINC000336374385 213227655 /nfs/dbraw/zinc/22/76/55/213227655.db2.gz HOWRYPPACGGBPJ-UHFFFAOYSA-N 2 2 255.337 0.710 20 0 CCADLP CC[C@H]1C[N@@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CCO1 ZINC000608017762 363393161 /nfs/dbraw/zinc/39/31/61/363393161.db2.gz SPCKWABHWWLOKJ-STQMWFEESA-N 2 2 297.399 0.176 20 0 CCADLP CC[C@H]1C[N@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CCO1 ZINC000608017762 363393168 /nfs/dbraw/zinc/39/31/68/363393168.db2.gz SPCKWABHWWLOKJ-STQMWFEESA-N 2 2 297.399 0.176 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000333796690 354795831 /nfs/dbraw/zinc/79/58/31/354795831.db2.gz NJOBJBQXOTVNSX-STQMWFEESA-N 2 2 298.431 0.394 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000333796690 354795833 /nfs/dbraw/zinc/79/58/33/354795833.db2.gz NJOBJBQXOTVNSX-STQMWFEESA-N 2 2 298.431 0.394 20 0 CCADLP Cc1csc(=O)n1CC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000335907520 355042929 /nfs/dbraw/zinc/04/29/29/355042929.db2.gz QTTNJUJFJOKEDT-VXGBXAGGSA-N 2 2 267.398 0.902 20 0 CCADLP Cc1csc(=O)n1CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000335907520 355042931 /nfs/dbraw/zinc/04/29/31/355042931.db2.gz QTTNJUJFJOKEDT-VXGBXAGGSA-N 2 2 267.398 0.902 20 0 CCADLP C[C@H]([NH3+])C1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000335765854 355007220 /nfs/dbraw/zinc/00/72/20/355007220.db2.gz DUKDXDBHBMTERT-WCBMZHEXSA-N 2 2 261.316 0.569 20 0 CCADLP C[C@@H]([NH3+])C1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000335765853 355007567 /nfs/dbraw/zinc/00/75/67/355007567.db2.gz DUKDXDBHBMTERT-SCZZXKLOSA-N 2 2 261.316 0.569 20 0 CCADLP [NH3+]C1(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CCCC1 ZINC000423754338 235058500 /nfs/dbraw/zinc/05/85/00/235058500.db2.gz HVVKBLFKELTXJP-LBPRGKRZSA-N 2 2 267.373 0.237 20 0 CCADLP [NH3+]C1(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CCCC1 ZINC000423754338 235058503 /nfs/dbraw/zinc/05/85/03/235058503.db2.gz HVVKBLFKELTXJP-LBPRGKRZSA-N 2 2 267.373 0.237 20 0 CCADLP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)[C@H]1CC[NH2+]1 ZINC000335808546 355017584 /nfs/dbraw/zinc/01/75/84/355017584.db2.gz VHNIEFPGQWABFB-SNVBAGLBSA-N 2 2 264.716 0.966 20 0 CCADLP Cc1ccc([C@@H]([NH3+])C(=O)NCC[N@@H+]2CCCOCC2)cc1 ZINC000423821294 235091683 /nfs/dbraw/zinc/09/16/83/235091683.db2.gz HKBSSBMFEMAPOB-OAHLLOKOSA-N 2 2 291.395 0.833 20 0 CCADLP Cc1ccc([C@@H]([NH3+])C(=O)NCC[N@H+]2CCCOCC2)cc1 ZINC000423821294 235091688 /nfs/dbraw/zinc/09/16/88/235091688.db2.gz HKBSSBMFEMAPOB-OAHLLOKOSA-N 2 2 291.395 0.833 20 0 CCADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[NH+](C2CC2)CC1 ZINC000336610871 355122886 /nfs/dbraw/zinc/12/28/86/355122886.db2.gz OKTLODNOCZMEEP-GFCCVEGCSA-N 2 2 274.368 0.752 20 0 CCADLP OC1(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CCC1 ZINC000336691974 355137284 /nfs/dbraw/zinc/13/72/84/355137284.db2.gz BLAWYYXOXLBARZ-CYBMUJFWSA-N 2 2 254.374 0.556 20 0 CCADLP OC1(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CCC1 ZINC000336691974 355137285 /nfs/dbraw/zinc/13/72/85/355137285.db2.gz BLAWYYXOXLBARZ-CYBMUJFWSA-N 2 2 254.374 0.556 20 0 CCADLP CC1(C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)COC1 ZINC000336704038 355142242 /nfs/dbraw/zinc/14/22/42/355142242.db2.gz ITNXVLUJCIZYAI-UHFFFAOYSA-N 2 2 250.346 0.564 20 0 CCADLP CSCC[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000336709748 355144884 /nfs/dbraw/zinc/14/48/84/355144884.db2.gz PWNLIIHYUMNZKY-UHFFFAOYSA-N 2 2 254.403 0.901 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CCCN2CCOCC2)CC1 ZINC000336838981 355210800 /nfs/dbraw/zinc/21/08/00/355210800.db2.gz IRGKTLOCMBSTTF-UHFFFAOYSA-N 2 2 293.415 0.264 20 0 CCADLP Cn1cc[nH+]c1N1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000336838981 355210802 /nfs/dbraw/zinc/21/08/02/355210802.db2.gz IRGKTLOCMBSTTF-UHFFFAOYSA-N 2 2 293.415 0.264 20 0 CCADLP CC(C)N1CC[C@@H]([NH+]2CCN(c3[nH+]ccn3C)CC2)C1=O ZINC000336838989 355211035 /nfs/dbraw/zinc/21/10/35/355211035.db2.gz ITCWNDNUXPMTRP-CYBMUJFWSA-N 2 2 291.399 0.551 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(n2cncn2)CC1)C1CC1 ZINC000336842332 355211663 /nfs/dbraw/zinc/21/16/63/355211663.db2.gz UKGOXWSSDPZVCC-CQSZACIVSA-N 2 2 279.388 0.370 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(n2cncn2)CC1)C1CC1 ZINC000336842332 355211666 /nfs/dbraw/zinc/21/16/66/355211666.db2.gz UKGOXWSSDPZVCC-CQSZACIVSA-N 2 2 279.388 0.370 20 0 CCADLP CC(C)[C@@H](O)C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000336845455 355214327 /nfs/dbraw/zinc/21/43/27/355214327.db2.gz BDZCRMLMKPYAGQ-ZDUSSCGKSA-N 2 2 293.415 0.682 20 0 CCADLP c1[nH]cc(C2CC[NH+](CCN3CCOCC3)CC2)[nH+]1 ZINC000336801334 355175972 /nfs/dbraw/zinc/17/59/72/355175972.db2.gz PSARRTVYKPHSJB-UHFFFAOYSA-N 2 2 264.373 0.921 20 0 CCADLP CN(CCC[NH+]1CCOCC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000336801723 355177256 /nfs/dbraw/zinc/17/72/56/355177256.db2.gz RBFMAPZGHOHRKZ-HNNXBMFYSA-N 2 2 267.417 0.877 20 0 CCADLP CN(CCC[NH+]1CCOCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000336801723 355177257 /nfs/dbraw/zinc/17/72/57/355177257.db2.gz RBFMAPZGHOHRKZ-HNNXBMFYSA-N 2 2 267.417 0.877 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000336802556 355178372 /nfs/dbraw/zinc/17/83/72/355178372.db2.gz VBUUBVRFPZJZJN-CYBMUJFWSA-N 2 2 269.389 0.044 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000336802556 355178374 /nfs/dbraw/zinc/17/83/74/355178374.db2.gz VBUUBVRFPZJZJN-CYBMUJFWSA-N 2 2 269.389 0.044 20 0 CCADLP [NH3+][C@H](CC(F)F)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000336850859 355218744 /nfs/dbraw/zinc/21/87/44/355218744.db2.gz ZUXDXRNLNUJCGD-GFCCVEGCSA-N 2 2 298.337 0.708 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCN(C)CC[NH+]1CCCC1 ZINC000337192219 355282181 /nfs/dbraw/zinc/28/21/81/355282181.db2.gz TXDUPOJSNTVOLC-CQSZACIVSA-N 2 2 255.406 0.735 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCN(C)CC[NH+]1CCCC1 ZINC000337192219 355282182 /nfs/dbraw/zinc/28/21/82/355282182.db2.gz TXDUPOJSNTVOLC-CQSZACIVSA-N 2 2 255.406 0.735 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCOC[C@H]1C ZINC000341118233 355609666 /nfs/dbraw/zinc/60/96/66/355609666.db2.gz IABCYLILQXMXQU-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCOC[C@H]1C ZINC000341118233 355609667 /nfs/dbraw/zinc/60/96/67/355609667.db2.gz IABCYLILQXMXQU-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH+]1CCC[C@H]1CNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000341118233 355609671 /nfs/dbraw/zinc/60/96/71/355609671.db2.gz IABCYLILQXMXQU-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)N(C)CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000341188410 355625179 /nfs/dbraw/zinc/62/51/79/355625179.db2.gz DBMQJCDWRDVKFY-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)N(C)CC[NH+]2CCOCC2)CC[N@H+]1C ZINC000341188410 355625183 /nfs/dbraw/zinc/62/51/83/355625183.db2.gz DBMQJCDWRDVKFY-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000341724315 355722663 /nfs/dbraw/zinc/72/26/63/355722663.db2.gz VVSCTKAYYFVCRP-YPMHNXCESA-N 2 2 276.384 0.962 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000341724315 355722665 /nfs/dbraw/zinc/72/26/65/355722665.db2.gz VVSCTKAYYFVCRP-YPMHNXCESA-N 2 2 276.384 0.962 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000427198014 235354985 /nfs/dbraw/zinc/35/49/85/235354985.db2.gz SFTJRVIQJOACEE-GXTWGEPZSA-N 2 2 281.400 0.138 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000427198014 235354987 /nfs/dbraw/zinc/35/49/87/235354987.db2.gz SFTJRVIQJOACEE-GXTWGEPZSA-N 2 2 281.400 0.138 20 0 CCADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCC(=O)NC2(C)C)C1 ZINC000558859919 291073734 /nfs/dbraw/zinc/07/37/34/291073734.db2.gz LFAAHIRORFBMER-NEPJUHHUSA-N 2 2 253.390 0.975 20 0 CCADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCC(=O)NC2(C)C)C1 ZINC000558859919 291073736 /nfs/dbraw/zinc/07/37/36/291073736.db2.gz LFAAHIRORFBMER-NEPJUHHUSA-N 2 2 253.390 0.975 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH+]1CCOC[C@H]1C ZINC000345434532 355825655 /nfs/dbraw/zinc/82/56/55/355825655.db2.gz MNWWVAPSUJPELZ-HZSPNIEDSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH+]1CCOC[C@H]1C ZINC000345434532 355825659 /nfs/dbraw/zinc/82/56/59/355825659.db2.gz MNWWVAPSUJPELZ-HZSPNIEDSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000345434532 355825660 /nfs/dbraw/zinc/82/56/60/355825660.db2.gz MNWWVAPSUJPELZ-HZSPNIEDSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000345434532 355825663 /nfs/dbraw/zinc/82/56/63/355825663.db2.gz MNWWVAPSUJPELZ-HZSPNIEDSA-N 2 2 283.416 0.696 20 0 CCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000345376792 355809467 /nfs/dbraw/zinc/80/94/67/355809467.db2.gz CIZRZUDSAORRLB-MWLCHTKSSA-N 2 2 286.326 0.941 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C1CC[NH+](C)CC1 ZINC000345440148 355826135 /nfs/dbraw/zinc/82/61/35/355826135.db2.gz OQHWSRCGQCETHK-LBPRGKRZSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C1CC[NH+](C)CC1 ZINC000345440148 355826140 /nfs/dbraw/zinc/82/61/40/355826140.db2.gz OQHWSRCGQCETHK-LBPRGKRZSA-N 2 2 269.389 0.165 20 0 CCADLP COCC[NH+]1CCC([NH2+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000427891007 235385351 /nfs/dbraw/zinc/38/53/51/235385351.db2.gz CLDJHRMYSXQKQQ-CQSZACIVSA-N 3 2 278.400 0.898 20 0 CCADLP COCC[NH+]1CCC([NH2+][C@@H]2CCn3ccnc3C2)CC1 ZINC000427891007 235385352 /nfs/dbraw/zinc/38/53/52/235385352.db2.gz CLDJHRMYSXQKQQ-CQSZACIVSA-N 2 2 278.400 0.898 20 0 CCADLP C[C@@H](C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)[NH+]1CCN(C)CC1 ZINC000346268610 355869146 /nfs/dbraw/zinc/86/91/46/355869146.db2.gz KLUQYWADUFYBKI-HOCLYGCPSA-N 2 2 294.443 0.177 20 0 CCADLP C[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)[NH+]1CCN(C)CC1 ZINC000346268610 355869147 /nfs/dbraw/zinc/86/91/47/355869147.db2.gz KLUQYWADUFYBKI-HOCLYGCPSA-N 2 2 294.443 0.177 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346995212 355875554 /nfs/dbraw/zinc/87/55/54/355875554.db2.gz VORLCJUIFKBETI-HUUCEWRRSA-N 3 2 294.443 0.224 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346995212 355875557 /nfs/dbraw/zinc/87/55/57/355875557.db2.gz VORLCJUIFKBETI-HUUCEWRRSA-N 3 2 294.443 0.224 20 0 CCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H]1CN(C)CC[NH+]1C ZINC000348377377 355922631 /nfs/dbraw/zinc/92/26/31/355922631.db2.gz MPGGGAOTAACFCI-KGLIPLIRSA-N 2 2 299.463 0.262 20 0 CCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1CN(C)CC[NH+]1C ZINC000348377377 355922634 /nfs/dbraw/zinc/92/26/34/355922634.db2.gz MPGGGAOTAACFCI-KGLIPLIRSA-N 2 2 299.463 0.262 20 0 CCADLP CC[C@@H](C)[NH+](C)CCNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000348377377 355922636 /nfs/dbraw/zinc/92/26/36/355922636.db2.gz MPGGGAOTAACFCI-KGLIPLIRSA-N 2 2 299.463 0.262 20 0 CCADLP CC[C@@H](C)[NH+](C)CCNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000348377377 355922639 /nfs/dbraw/zinc/92/26/39/355922639.db2.gz MPGGGAOTAACFCI-KGLIPLIRSA-N 2 2 299.463 0.262 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(=O)[nH]n1 ZINC000428216491 235399829 /nfs/dbraw/zinc/39/98/29/235399829.db2.gz PQDMPTMJLOYBRU-NEPJUHHUSA-N 2 2 280.372 0.944 20 0 CCADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(=O)[nH]n1 ZINC000428216491 235399832 /nfs/dbraw/zinc/39/98/32/235399832.db2.gz PQDMPTMJLOYBRU-NEPJUHHUSA-N 2 2 280.372 0.944 20 0 CCADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H](O)C(F)F)s1 ZINC000352754485 356071599 /nfs/dbraw/zinc/07/15/99/356071599.db2.gz IXIDPXVGDAMNIS-MRVPVSSYSA-N 2 2 265.329 0.920 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1c(C)cnn1C ZINC000352814050 356087645 /nfs/dbraw/zinc/08/76/45/356087645.db2.gz KDXAGGSTWYYROP-ZDUSSCGKSA-N 2 2 266.389 0.929 20 0 CCADLP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1c(C)cnn1C ZINC000352814050 356087646 /nfs/dbraw/zinc/08/76/46/356087646.db2.gz KDXAGGSTWYYROP-ZDUSSCGKSA-N 2 2 266.389 0.929 20 0 CCADLP CC[C@H](Cn1cncn1)[NH2+]CC[N@H+](C)CCOC ZINC000353413246 356216961 /nfs/dbraw/zinc/21/69/61/356216961.db2.gz OVYGVLHAVZPDOS-GFCCVEGCSA-N 2 2 255.366 0.225 20 0 CCADLP CC[C@H](Cn1cncn1)[NH2+]CC[N@@H+](C)CCOC ZINC000353413246 356216963 /nfs/dbraw/zinc/21/69/63/356216963.db2.gz OVYGVLHAVZPDOS-GFCCVEGCSA-N 2 2 255.366 0.225 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000353465060 356229568 /nfs/dbraw/zinc/22/95/68/356229568.db2.gz ZFQRIKHXEWHAHH-XQQFMLRXSA-N 2 2 269.389 0.211 20 0 CCADLP CCN(C)C(=O)[C@@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000353343592 356206768 /nfs/dbraw/zinc/20/67/68/356206768.db2.gz BNFMWFYXJIDBSK-GFCCVEGCSA-N 2 2 271.405 0.554 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@]2(C)CCC[NH2+]C2)CCO1 ZINC000353587477 356254853 /nfs/dbraw/zinc/25/48/53/356254853.db2.gz HBJZFCGDWZEJBP-OAHLLOKOSA-N 2 2 283.416 0.603 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@]2(C)CCC[NH2+]C2)CCO1 ZINC000353587477 356254854 /nfs/dbraw/zinc/25/48/54/356254854.db2.gz HBJZFCGDWZEJBP-OAHLLOKOSA-N 2 2 283.416 0.603 20 0 CCADLP COC[C@H](CO)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000353612203 356258825 /nfs/dbraw/zinc/25/88/25/356258825.db2.gz RGVYJKAJRZIUSK-HNNXBMFYSA-N 2 2 279.384 0.643 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](CO)[C@H]2CCOC2)C1 ZINC000360771479 138010410 /nfs/dbraw/zinc/01/04/10/138010410.db2.gz INSVHJATSWSUJW-IGQOVBAYSA-N 2 2 256.390 0.561 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](CO)[C@H]2CCOC2)C1 ZINC000360771479 138010411 /nfs/dbraw/zinc/01/04/11/138010411.db2.gz INSVHJATSWSUJW-IGQOVBAYSA-N 2 2 256.390 0.561 20 0 CCADLP CSCC[C@H]([NH3+])C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000353666823 356269417 /nfs/dbraw/zinc/26/94/17/356269417.db2.gz CGSRCIRWLQYGRI-NSHDSACASA-N 2 2 297.428 0.134 20 0 CCADLP [NH3+]C1(C(=O)NCc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000353676630 356271225 /nfs/dbraw/zinc/27/12/25/356271225.db2.gz IANFNHMJCPUMQK-UHFFFAOYSA-N 2 2 256.309 0.980 20 0 CCADLP CSC1(CNC(=O)Cn2cc[nH+]c2)CC[NH+](C)CC1 ZINC000360625483 138003608 /nfs/dbraw/zinc/00/36/08/138003608.db2.gz AVWXWIUBTXFBEA-UHFFFAOYSA-N 2 2 282.413 0.827 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000353511691 356243021 /nfs/dbraw/zinc/24/30/21/356243021.db2.gz JZOIMMRDDLNOPZ-OLZOCXBDSA-N 2 2 291.399 0.442 20 0 CCADLP CC[C@H](C(=O)N1CC[NH+](CCOC)CC1)[NH+](C)C ZINC000360958055 138017358 /nfs/dbraw/zinc/01/73/58/138017358.db2.gz OETCHRVAMKKYPY-GFCCVEGCSA-N 2 2 257.378 0.117 20 0 CCADLP CC[NH+](CC)CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000353838548 356302765 /nfs/dbraw/zinc/30/27/65/356302765.db2.gz BZADTORELJZJLY-UHFFFAOYSA-N 3 2 298.475 0.813 20 0 CCADLP COc1ccc(F)cc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000361135019 138022909 /nfs/dbraw/zinc/02/29/09/138022909.db2.gz CWPOVUQJJGUEBY-CQSZACIVSA-N 2 2 268.332 0.991 20 0 CCADLP COc1ccc(F)cc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000361135019 138022910 /nfs/dbraw/zinc/02/29/10/138022910.db2.gz CWPOVUQJJGUEBY-CQSZACIVSA-N 2 2 268.332 0.991 20 0 CCADLP COC[C@H](CC(C)C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000361219202 138025882 /nfs/dbraw/zinc/02/58/82/138025882.db2.gz BOQNQJSMAHGDJS-UONOGXRCSA-N 2 2 285.432 0.977 20 0 CCADLP COC[C@H](CC(C)C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000361219202 138025883 /nfs/dbraw/zinc/02/58/83/138025883.db2.gz BOQNQJSMAHGDJS-UONOGXRCSA-N 2 2 285.432 0.977 20 0 CCADLP C[C@@H]1C[NH+](CCN(C)CC[N@@H+]2CCCOCC2)C[C@@H](C)O1 ZINC000361388933 138034226 /nfs/dbraw/zinc/03/42/26/138034226.db2.gz AKAFLKZGSLVQCJ-HZPDHXFCSA-N 2 2 299.459 0.750 20 0 CCADLP C[C@@H]1C[NH+](CCN(C)CC[N@H+]2CCCOCC2)C[C@@H](C)O1 ZINC000361388933 138034227 /nfs/dbraw/zinc/03/42/27/138034227.db2.gz AKAFLKZGSLVQCJ-HZPDHXFCSA-N 2 2 299.459 0.750 20 0 CCADLP Cc1cc(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc[nH+]1 ZINC000362618566 138066769 /nfs/dbraw/zinc/06/67/69/138066769.db2.gz YTDVPOPGDDTVGO-KBPBESRZSA-N 2 2 290.367 0.797 20 0 CCADLP Cc1cc(NC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc[nH+]1 ZINC000362618566 138066770 /nfs/dbraw/zinc/06/67/70/138066770.db2.gz YTDVPOPGDDTVGO-KBPBESRZSA-N 2 2 290.367 0.797 20 0 CCADLP Cc1n[nH]cc1C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000362377025 138056456 /nfs/dbraw/zinc/05/64/56/138056456.db2.gz UCNISABSSZAEAV-OAHLLOKOSA-N 2 2 277.416 0.930 20 0 CCADLP Cc1n[nH]cc1C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000362377025 138056457 /nfs/dbraw/zinc/05/64/57/138056457.db2.gz UCNISABSSZAEAV-OAHLLOKOSA-N 2 2 277.416 0.930 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000362453488 138060036 /nfs/dbraw/zinc/06/00/36/138060036.db2.gz YVLPBRINIOVPKR-GHMZBOCLSA-N 2 2 250.346 0.576 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000362453488 138060037 /nfs/dbraw/zinc/06/00/37/138060037.db2.gz YVLPBRINIOVPKR-GHMZBOCLSA-N 2 2 250.346 0.576 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)NCCn2cc[nH+]c2)CC[N@@H+]1C ZINC000362690876 138070039 /nfs/dbraw/zinc/07/00/39/138070039.db2.gz HBLSMIKNMOTBSE-ZDUSSCGKSA-N 2 2 279.388 0.865 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)NCCn2cc[nH+]c2)CC[N@H+]1C ZINC000362690876 138070040 /nfs/dbraw/zinc/07/00/40/138070040.db2.gz HBLSMIKNMOTBSE-ZDUSSCGKSA-N 2 2 279.388 0.865 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](C[C@H]2CCCOC2)C1 ZINC000362697034 138070461 /nfs/dbraw/zinc/07/04/61/138070461.db2.gz HLAFBLCCYXNSED-KGLIPLIRSA-N 2 2 281.400 0.309 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000362697034 138070462 /nfs/dbraw/zinc/07/04/62/138070462.db2.gz HLAFBLCCYXNSED-KGLIPLIRSA-N 2 2 281.400 0.309 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH+]1CCOC[C@H]1C ZINC000362726071 138071634 /nfs/dbraw/zinc/07/16/34/138071634.db2.gz UBLOXOSQVNAVAL-JHJVBQTASA-N 2 2 269.389 0.021 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH+]1CCOC[C@H]1C ZINC000362726071 138071635 /nfs/dbraw/zinc/07/16/35/138071635.db2.gz UBLOXOSQVNAVAL-JHJVBQTASA-N 2 2 269.389 0.021 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000362726071 138071636 /nfs/dbraw/zinc/07/16/36/138071636.db2.gz UBLOXOSQVNAVAL-JHJVBQTASA-N 2 2 269.389 0.021 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000362726071 138071637 /nfs/dbraw/zinc/07/16/37/138071637.db2.gz UBLOXOSQVNAVAL-JHJVBQTASA-N 2 2 269.389 0.021 20 0 CCADLP C[NH+]1CCC2(CCCN2C(=O)Cn2cc[nH+]c2)CC1 ZINC000560493415 291105384 /nfs/dbraw/zinc/10/53/84/291105384.db2.gz ZCJOYYSDFOQMQZ-UHFFFAOYSA-N 2 2 262.357 0.970 20 0 CCADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC000355023244 356552200 /nfs/dbraw/zinc/55/22/00/356552200.db2.gz DEWLMGPKDUGJMG-QWHCGFSZSA-N 2 2 279.384 0.156 20 0 CCADLP C[N@H+]1CCO[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC000355023244 356552204 /nfs/dbraw/zinc/55/22/04/356552204.db2.gz DEWLMGPKDUGJMG-QWHCGFSZSA-N 2 2 279.384 0.156 20 0 CCADLP NC(=O)NC(=O)CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157579 363475226 /nfs/dbraw/zinc/47/52/26/363475226.db2.gz GWRDDAXSYZSNSM-JTQLQIEISA-N 2 2 265.317 0.105 20 0 CCADLP NC(=O)NC(=O)CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157579 363475233 /nfs/dbraw/zinc/47/52/33/363475233.db2.gz GWRDDAXSYZSNSM-JTQLQIEISA-N 2 2 265.317 0.105 20 0 CCADLP C[NH+]1CCC(O)(CNC(=O)NCCCn2cc[nH+]c2)CC1 ZINC000355062782 356563774 /nfs/dbraw/zinc/56/37/74/356563774.db2.gz QLQIPLPKKYDEIL-UHFFFAOYSA-N 2 2 295.387 0.029 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000355065393 356564800 /nfs/dbraw/zinc/56/48/00/356564800.db2.gz IVVMPDAVXSWEKY-LBPRGKRZSA-N 2 2 257.378 0.164 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000355065393 356564804 /nfs/dbraw/zinc/56/48/04/356564804.db2.gz IVVMPDAVXSWEKY-LBPRGKRZSA-N 2 2 257.378 0.164 20 0 CCADLP CC(C)[NH+](C)CC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000355065393 356564808 /nfs/dbraw/zinc/56/48/08/356564808.db2.gz IVVMPDAVXSWEKY-LBPRGKRZSA-N 2 2 257.378 0.164 20 0 CCADLP CC(C)[NH+](C)CC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000355065393 356564812 /nfs/dbraw/zinc/56/48/12/356564812.db2.gz IVVMPDAVXSWEKY-LBPRGKRZSA-N 2 2 257.378 0.164 20 0 CCADLP C[C@H](CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C[NH+](C)C ZINC000355738819 356635666 /nfs/dbraw/zinc/63/56/66/356635666.db2.gz JOUVZWJIXAXEBT-UKRRQHHQSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H](CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C[NH+](C)C ZINC000355738819 356635671 /nfs/dbraw/zinc/63/56/71/356635671.db2.gz JOUVZWJIXAXEBT-UKRRQHHQSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C[NH+](C)C ZINC000355738821 356636381 /nfs/dbraw/zinc/63/63/81/356636381.db2.gz JOUVZWJIXAXEBT-ZFWWWQNUSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C[NH+](C)C ZINC000355738821 356636385 /nfs/dbraw/zinc/63/63/85/356636385.db2.gz JOUVZWJIXAXEBT-ZFWWWQNUSA-N 2 2 297.443 0.944 20 0 CCADLP Cc1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])nc1 ZINC000561017774 291115484 /nfs/dbraw/zinc/11/54/84/291115484.db2.gz GAVULKVAJSAKNM-LLVKDONJSA-N 2 2 263.345 0.497 20 0 CCADLP Cc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])nc1 ZINC000561017774 291115486 /nfs/dbraw/zinc/11/54/86/291115486.db2.gz GAVULKVAJSAKNM-LLVKDONJSA-N 2 2 263.345 0.497 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)C23CCC[NH+]2CCC3)CCO1 ZINC000356052839 356693176 /nfs/dbraw/zinc/69/31/76/356693176.db2.gz MQSHUQVBVDPLBC-AWEZNQCLSA-N 2 2 295.427 0.842 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)C23CCC[NH+]2CCC3)CCO1 ZINC000356052839 356693182 /nfs/dbraw/zinc/69/31/82/356693182.db2.gz MQSHUQVBVDPLBC-AWEZNQCLSA-N 2 2 295.427 0.842 20 0 CCADLP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000356284018 356740421 /nfs/dbraw/zinc/74/04/21/356740421.db2.gz QMJNEFPGOWTSHK-CHWSQXEVSA-N 2 2 285.432 0.990 20 0 CCADLP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000356284018 356740424 /nfs/dbraw/zinc/74/04/24/356740424.db2.gz QMJNEFPGOWTSHK-CHWSQXEVSA-N 2 2 285.432 0.990 20 0 CCADLP C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000357236793 356769882 /nfs/dbraw/zinc/76/98/82/356769882.db2.gz UOYWJBJHEURZQP-QLFBSQMISA-N 2 2 296.459 0.563 20 0 CCADLP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000357236793 356769886 /nfs/dbraw/zinc/76/98/86/356769886.db2.gz UOYWJBJHEURZQP-QLFBSQMISA-N 2 2 296.459 0.563 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)no1 ZINC000359356248 356807566 /nfs/dbraw/zinc/80/75/66/356807566.db2.gz BZZGBOMIFWWTOJ-LBPRGKRZSA-N 2 2 296.371 0.139 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NCCc2[nH]cc[nH+]2)no1 ZINC000359357443 356807739 /nfs/dbraw/zinc/80/77/39/356807739.db2.gz GSIIUMYOTYTWIE-UHFFFAOYSA-N 2 2 263.301 0.432 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000359563166 356845021 /nfs/dbraw/zinc/84/50/21/356845021.db2.gz CHDDAUAJTJBIQM-GHMZBOCLSA-N 2 2 280.372 0.901 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000359563166 356845023 /nfs/dbraw/zinc/84/50/23/356845023.db2.gz CHDDAUAJTJBIQM-GHMZBOCLSA-N 2 2 280.372 0.901 20 0 CCADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)NC(=O)NCC(C)C)CC1 ZINC000359952699 356925819 /nfs/dbraw/zinc/92/58/19/356925819.db2.gz PDNNJVJZQCMTIN-LBPRGKRZSA-N 2 2 298.431 0.931 20 0 CCADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)NCCCOC)CC1 ZINC000359951915 356925929 /nfs/dbraw/zinc/92/59/29/356925929.db2.gz GIQALDKZTHMSKO-LBPRGKRZSA-N 2 2 271.405 0.602 20 0 CCADLP CN1C[C@H](C[NH+]2CCC3(CCC[N@@H+]3C)CC2)OC1=O ZINC000495593566 283232336 /nfs/dbraw/zinc/23/23/36/283232336.db2.gz KVKIHDRZEDMEDP-GFCCVEGCSA-N 2 2 267.373 0.997 20 0 CCADLP CN1C[C@H](C[NH+]2CCC3(CCC[N@H+]3C)CC2)OC1=O ZINC000495593566 283232338 /nfs/dbraw/zinc/23/23/38/283232338.db2.gz KVKIHDRZEDMEDP-GFCCVEGCSA-N 2 2 267.373 0.997 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCC[C@H]2C(N)=O)CC[N@@H+]1C ZINC000361221101 357044539 /nfs/dbraw/zinc/04/45/39/357044539.db2.gz PWHACXQJIZPFFV-MCIONIFRSA-N 3 2 282.432 0.399 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCC[C@H]2C(N)=O)CC[N@H+]1C ZINC000361221101 357044541 /nfs/dbraw/zinc/04/45/41/357044541.db2.gz PWHACXQJIZPFFV-MCIONIFRSA-N 3 2 282.432 0.399 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CC[NH+]1C ZINC000361221101 357044543 /nfs/dbraw/zinc/04/45/43/357044543.db2.gz PWHACXQJIZPFFV-MCIONIFRSA-N 3 2 282.432 0.399 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CC[NH+]1C ZINC000361221101 357044545 /nfs/dbraw/zinc/04/45/45/357044545.db2.gz PWHACXQJIZPFFV-MCIONIFRSA-N 3 2 282.432 0.399 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000364586658 357123044 /nfs/dbraw/zinc/12/30/44/357123044.db2.gz MLRJLSWAMSHPAW-IUODEOHRSA-N 2 2 274.368 0.763 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]1CC(=O)NCCCn1cc[nH+]c1 ZINC000293975196 198853405 /nfs/dbraw/zinc/85/34/05/198853405.db2.gz BGXQWKWTYVUHAU-NWDGAFQWSA-N 2 2 250.346 0.907 20 0 CCADLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N(C)C ZINC000655730388 412651740 /nfs/dbraw/zinc/65/17/40/412651740.db2.gz JFZMLUIMSYHEPE-OCCSQVGLSA-N 2 2 283.416 0.696 20 0 CCADLP Cc1nccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC000366466615 357213303 /nfs/dbraw/zinc/21/33/03/357213303.db2.gz QOJBHOMFUPHGMW-MRXNPFEDSA-N 2 2 289.427 0.997 20 0 CCADLP Cc1nccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)n1 ZINC000366466615 357213307 /nfs/dbraw/zinc/21/33/07/357213307.db2.gz QOJBHOMFUPHGMW-MRXNPFEDSA-N 2 2 289.427 0.997 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000368635531 357336301 /nfs/dbraw/zinc/33/63/01/357336301.db2.gz RXUVRYXPIUYRNY-LBPRGKRZSA-N 2 2 277.372 0.800 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H](C2CC2)O1 ZINC000375930337 357415499 /nfs/dbraw/zinc/41/54/99/357415499.db2.gz YOJZACRSMLACAN-TZMCWYRMSA-N 2 2 281.400 0.260 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H](C2CC2)O1 ZINC000375930337 357415504 /nfs/dbraw/zinc/41/55/04/357415504.db2.gz YOJZACRSMLACAN-TZMCWYRMSA-N 2 2 281.400 0.260 20 0 CCADLP CN(C)C(=O)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655748213 412654457 /nfs/dbraw/zinc/65/44/57/412654457.db2.gz TULUSLZTTAEOHJ-ZDUSSCGKSA-N 2 2 269.389 0.308 20 0 CCADLP C(CN1CCC1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655736381 412655076 /nfs/dbraw/zinc/65/50/76/412655076.db2.gz DWVNGJZVMZXSOZ-CQSZACIVSA-N 2 2 253.390 0.535 20 0 CCADLP C(C[NH+]1CCC1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655736381 412655078 /nfs/dbraw/zinc/65/50/78/412655078.db2.gz DWVNGJZVMZXSOZ-CQSZACIVSA-N 2 2 253.390 0.535 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC000619902697 366383839 /nfs/dbraw/zinc/38/38/39/366383839.db2.gz NMWLDSUGDRWJDM-GFCCVEGCSA-N 2 2 264.373 0.953 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC000619902697 366383841 /nfs/dbraw/zinc/38/38/41/366383841.db2.gz NMWLDSUGDRWJDM-GFCCVEGCSA-N 2 2 264.373 0.953 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000377196219 357551098 /nfs/dbraw/zinc/55/10/98/357551098.db2.gz HWVUGRXIMBZFPD-UONOGXRCSA-N 3 2 294.443 0.413 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000377196219 357551100 /nfs/dbraw/zinc/55/11/00/357551100.db2.gz HWVUGRXIMBZFPD-UONOGXRCSA-N 3 2 294.443 0.413 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCC[NH3+])C2)CC1 ZINC000377199723 357551900 /nfs/dbraw/zinc/55/19/00/357551900.db2.gz VTZLNKWXFKQBDI-LBPRGKRZSA-N 3 2 268.405 0.010 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCC[NH3+])C2)CC1 ZINC000377199723 357551904 /nfs/dbraw/zinc/55/19/04/357551904.db2.gz VTZLNKWXFKQBDI-LBPRGKRZSA-N 3 2 268.405 0.010 20 0 CCADLP CCN(C)C(=O)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655756120 412657085 /nfs/dbraw/zinc/65/70/85/412657085.db2.gz OJBLORRHBZYASM-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP O=C([C@@H]1CCCN(c2cccc[nH+]2)C1)N1CC[NH2+]CC1 ZINC000378180685 357654572 /nfs/dbraw/zinc/65/45/72/357654572.db2.gz BPBINIGFADKCJV-CYBMUJFWSA-N 2 2 274.368 0.730 20 0 CCADLP COc1nccc(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)n1 ZINC000449093297 236016476 /nfs/dbraw/zinc/01/64/76/236016476.db2.gz OLYZZIFIUGEGMO-CYBMUJFWSA-N 2 2 280.372 0.422 20 0 CCADLP Cc1nc(N2CC[C@@H]([NH+]3CCCCC3)C2)nc(N)[nH+]1 ZINC000382349289 357713332 /nfs/dbraw/zinc/71/33/32/357713332.db2.gz FQFOCBUYLPGCMW-LLVKDONJSA-N 2 2 262.361 0.657 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000385119961 357724090 /nfs/dbraw/zinc/72/40/90/357724090.db2.gz VUQGCNMHZUEFOW-WOPDTQHZSA-N 2 2 275.418 0.080 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000385119961 357724094 /nfs/dbraw/zinc/72/40/94/357724094.db2.gz VUQGCNMHZUEFOW-WOPDTQHZSA-N 2 2 275.418 0.080 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000385119953 357724512 /nfs/dbraw/zinc/72/45/12/357724512.db2.gz VUQGCNMHZUEFOW-GRYCIOLGSA-N 2 2 275.418 0.080 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000385119953 357724519 /nfs/dbraw/zinc/72/45/19/357724519.db2.gz VUQGCNMHZUEFOW-GRYCIOLGSA-N 2 2 275.418 0.080 20 0 CCADLP Nc1cc[nH+]cc1C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449656088 236044105 /nfs/dbraw/zinc/04/41/05/236044105.db2.gz JDDALJNLRGFTLD-QMMMGPOBSA-N 2 2 270.283 0.469 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)Nc1nccs1 ZINC000380296952 357703111 /nfs/dbraw/zinc/70/31/11/357703111.db2.gz FMRKFZKKTQGWAN-LLVKDONJSA-N 2 2 295.412 0.061 20 0 CCADLP O=C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)Nc1nccs1 ZINC000380296952 357703115 /nfs/dbraw/zinc/70/31/15/357703115.db2.gz FMRKFZKKTQGWAN-LLVKDONJSA-N 2 2 295.412 0.061 20 0 CCADLP COC[C@@]1(C)CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000451186721 236141469 /nfs/dbraw/zinc/14/14/69/236141469.db2.gz FOGBBZIDTTWJIR-AWEZNQCLSA-N 2 2 269.389 0.119 20 0 CCADLP COC[C@@]1(C)CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000451186721 236141471 /nfs/dbraw/zinc/14/14/71/236141471.db2.gz FOGBBZIDTTWJIR-AWEZNQCLSA-N 2 2 269.389 0.119 20 0 CCADLP COC[C@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000452031227 236213528 /nfs/dbraw/zinc/21/35/28/236213528.db2.gz RAQNYHWRUSZNAR-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP COC[C@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000452031227 236213529 /nfs/dbraw/zinc/21/35/29/236213529.db2.gz RAQNYHWRUSZNAR-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000417035148 358129882 /nfs/dbraw/zinc/12/98/82/358129882.db2.gz REZYYVFRIAJWLG-MCIONIFRSA-N 2 2 298.431 0.333 20 0 CCADLP c1cncc(CC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422823039 358193063 /nfs/dbraw/zinc/19/30/63/358193063.db2.gz CKISCMZAMXEUDI-GJZGRUSLSA-N 2 2 261.369 0.981 20 0 CCADLP O=C1CCCCN1CCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422861778 358193793 /nfs/dbraw/zinc/19/37/93/358193793.db2.gz OXVNICBDGMMTGK-GOEBONIOSA-N 2 2 295.427 0.746 20 0 CCADLP CN(CC(F)(F)F)C(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424339874 358210496 /nfs/dbraw/zinc/21/04/96/358210496.db2.gz XBKSBOHDHBOUTK-RKDXNWHRSA-N 2 2 267.295 0.867 20 0 CCADLP Cn1cc(N2CC[C@@H]([N@@H+]3CCC[C@@H](C[NH3+])C3)C2=O)cn1 ZINC000430647564 358228100 /nfs/dbraw/zinc/22/81/00/358228100.db2.gz GEASGRYMVSESEB-WCQYABFASA-N 2 2 277.372 0.196 20 0 CCADLP Cn1cc(N2CC[C@@H]([N@H+]3CCC[C@@H](C[NH3+])C3)C2=O)cn1 ZINC000430647564 358228103 /nfs/dbraw/zinc/22/81/03/358228103.db2.gz GEASGRYMVSESEB-WCQYABFASA-N 2 2 277.372 0.196 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430965824 358230497 /nfs/dbraw/zinc/23/04/97/358230497.db2.gz MPAYVSMXLYMEHP-VWYCJHECSA-N 2 2 284.404 0.668 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430965824 358230502 /nfs/dbraw/zinc/23/05/02/358230502.db2.gz MPAYVSMXLYMEHP-VWYCJHECSA-N 2 2 284.404 0.668 20 0 CCADLP Cn1nccc1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000562284424 291142461 /nfs/dbraw/zinc/14/24/61/291142461.db2.gz PHNDNLGGXREQHE-UHFFFAOYSA-N 2 2 252.362 0.357 20 0 CCADLP CSC[C@H](C)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000518498045 358344134 /nfs/dbraw/zinc/34/41/34/358344134.db2.gz GODZXQMTTSRSFS-UWVGGRQHSA-N 2 2 260.407 0.022 20 0 CCADLP CSC[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000518498045 358344137 /nfs/dbraw/zinc/34/41/37/358344137.db2.gz GODZXQMTTSRSFS-UWVGGRQHSA-N 2 2 260.407 0.022 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000562454220 291153123 /nfs/dbraw/zinc/15/31/23/291153123.db2.gz FCJCAGXOHGNZKP-RYUDHWBXSA-N 2 2 273.340 0.847 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000567741737 358580212 /nfs/dbraw/zinc/58/02/12/358580212.db2.gz CAEYYBJGUPANMO-HUUCEWRRSA-N 3 2 269.433 0.907 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000567741737 358580215 /nfs/dbraw/zinc/58/02/15/358580215.db2.gz CAEYYBJGUPANMO-HUUCEWRRSA-N 3 2 269.433 0.907 20 0 CCADLP O=C(NCC[NH+]1CCC1)NCc1ccn2cc[nH+]c2c1 ZINC000533112310 358527644 /nfs/dbraw/zinc/52/76/44/358527644.db2.gz NAYDJDGIVVLOQV-UHFFFAOYSA-N 2 2 273.340 0.839 20 0 CCADLP Cc1nc(NCC[C@@H]2CCC[N@H+](C)C2)nc(N(C)C)[nH+]1 ZINC000567863061 358601723 /nfs/dbraw/zinc/60/17/23/358601723.db2.gz YCJOKFWPHOMZTR-LBPRGKRZSA-N 2 2 278.404 0.812 20 0 CCADLP Cc1nc(NCC[C@@H]2CCC[N@@H+](C)C2)nc(N(C)C)[nH+]1 ZINC000567863061 358601725 /nfs/dbraw/zinc/60/17/25/358601725.db2.gz YCJOKFWPHOMZTR-LBPRGKRZSA-N 2 2 278.404 0.812 20 0 CCADLP Cc1nc(N(C)C)nc(NCC[C@@H]2CCC[N@H+](C)C2)[nH+]1 ZINC000567863061 358601727 /nfs/dbraw/zinc/60/17/27/358601727.db2.gz YCJOKFWPHOMZTR-LBPRGKRZSA-N 2 2 278.404 0.812 20 0 CCADLP Cc1nc(N(C)C)nc(NCC[C@@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000567863061 358601728 /nfs/dbraw/zinc/60/17/28/358601728.db2.gz YCJOKFWPHOMZTR-LBPRGKRZSA-N 2 2 278.404 0.812 20 0 CCADLP C[N@@H+]1CCN(Cc2nccn2CC(F)(F)F)[C@H](C[NH3+])C1 ZINC000567871513 358602251 /nfs/dbraw/zinc/60/22/51/358602251.db2.gz LNWLCCYZTSOGIJ-SNVBAGLBSA-N 2 2 291.321 0.520 20 0 CCADLP C[N@H+]1CCN(Cc2nccn2CC(F)(F)F)[C@H](C[NH3+])C1 ZINC000567871513 358602255 /nfs/dbraw/zinc/60/22/55/358602255.db2.gz LNWLCCYZTSOGIJ-SNVBAGLBSA-N 2 2 291.321 0.520 20 0 CCADLP Cc1noc(CCC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)n1 ZINC000568421945 358675474 /nfs/dbraw/zinc/67/54/74/358675474.db2.gz SYDZWKORUHCMQU-UHFFFAOYSA-N 2 2 276.344 0.856 20 0 CCADLP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])c2cscn2)C1 ZINC000568507059 358679131 /nfs/dbraw/zinc/67/91/31/358679131.db2.gz VTIIQKDZYHCMLQ-GXSJLCMTSA-N 2 2 268.386 0.743 20 0 CCADLP CC[N@H+]1CCC[C@H](NC(=O)[C@H]([NH3+])c2cscn2)C1 ZINC000568507059 358679134 /nfs/dbraw/zinc/67/91/34/358679134.db2.gz VTIIQKDZYHCMLQ-GXSJLCMTSA-N 2 2 268.386 0.743 20 0 CCADLP OC[C@@]1(O)CCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000568841275 358709342 /nfs/dbraw/zinc/70/93/42/358709342.db2.gz XVADVKCSZCFSTF-CQSZACIVSA-N 2 2 261.325 0.654 20 0 CCADLP OC[C@@]1(O)CCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000568841275 358709346 /nfs/dbraw/zinc/70/93/46/358709346.db2.gz XVADVKCSZCFSTF-CQSZACIVSA-N 2 2 261.325 0.654 20 0 CCADLP COCC[NH2+]CC[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC000568972028 358720707 /nfs/dbraw/zinc/72/07/07/358720707.db2.gz VDNRDAIHSOVJNA-UHFFFAOYSA-N 2 2 293.346 0.732 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000568975540 358720799 /nfs/dbraw/zinc/72/07/99/358720799.db2.gz HGOUACXRSZQQEF-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000568975895 358721190 /nfs/dbraw/zinc/72/11/90/358721190.db2.gz UYWATNDCXLWNCK-ZIAGYGMSSA-N 2 2 298.431 0.396 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000568975895 358721198 /nfs/dbraw/zinc/72/11/98/358721198.db2.gz UYWATNDCXLWNCK-ZIAGYGMSSA-N 2 2 298.431 0.396 20 0 CCADLP COC[C@H](O)C[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000569111839 358735410 /nfs/dbraw/zinc/73/54/10/358735410.db2.gz XTGYPLACWDSYMG-NWDGAFQWSA-N 2 2 253.346 0.666 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cnn(C)c1C ZINC000569497044 358769540 /nfs/dbraw/zinc/76/95/40/358769540.db2.gz YQMBCXYGJFYXAG-ZYHUDNBSSA-N 2 2 254.378 0.692 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cnn(C)c1C ZINC000569497044 358769542 /nfs/dbraw/zinc/76/95/42/358769542.db2.gz YQMBCXYGJFYXAG-ZYHUDNBSSA-N 2 2 254.378 0.692 20 0 CCADLP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1CCCc1c[nH+]cn1C ZINC000569618520 358780765 /nfs/dbraw/zinc/78/07/65/358780765.db2.gz IJHDYKWKZHZKFU-KGLIPLIRSA-N 2 2 280.416 0.740 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1CCCc1c[nH+]cn1C ZINC000569618520 358780770 /nfs/dbraw/zinc/78/07/70/358780770.db2.gz IJHDYKWKZHZKFU-KGLIPLIRSA-N 2 2 280.416 0.740 20 0 CCADLP C[C@@H]1CN(CCO)[C@@H](C)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000569618520 358780774 /nfs/dbraw/zinc/78/07/74/358780774.db2.gz IJHDYKWKZHZKFU-KGLIPLIRSA-N 2 2 280.416 0.740 20 0 CCADLP C[C@@H]1CN(CCO)[C@@H](C)C[N@H+]1CCCc1c[nH+]cn1C ZINC000569618520 358780777 /nfs/dbraw/zinc/78/07/77/358780777.db2.gz IJHDYKWKZHZKFU-KGLIPLIRSA-N 2 2 280.416 0.740 20 0 CCADLP C[C@H](CCO)C[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000570570240 358870142 /nfs/dbraw/zinc/87/01/42/358870142.db2.gz MIVCMIVCVCTMOO-RFGFWPKPSA-N 2 2 274.405 0.065 20 0 CCADLP C[N@@H+](CC(=O)NC1C2CC3CC(C2)CC1C3)C[C@@H](O)C[NH3+] ZINC000570619499 358874859 /nfs/dbraw/zinc/87/48/59/358874859.db2.gz MCYXAGOTEQVEMD-NUAPRZDKSA-N 2 2 295.427 0.179 20 0 CCADLP C[N@H+](CC(=O)NC1C2CC3CC(C2)CC1C3)C[C@@H](O)C[NH3+] ZINC000570619499 358874862 /nfs/dbraw/zinc/87/48/62/358874862.db2.gz MCYXAGOTEQVEMD-NUAPRZDKSA-N 2 2 295.427 0.179 20 0 CCADLP C[N@@H+]1CCN(c2nnc(-c3ccccn3)s2)[C@@H](C[NH3+])C1 ZINC000570699368 358887398 /nfs/dbraw/zinc/88/73/98/358887398.db2.gz UVFMFNFLEYAVTL-JTQLQIEISA-N 2 2 290.396 0.679 20 0 CCADLP C[N@H+]1CCN(c2nnc(-c3ccccn3)s2)[C@@H](C[NH3+])C1 ZINC000570699368 358887402 /nfs/dbraw/zinc/88/74/02/358887402.db2.gz UVFMFNFLEYAVTL-JTQLQIEISA-N 2 2 290.396 0.679 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]([NH3+])Cc2ccccc2)CCO1 ZINC000573493978 358973134 /nfs/dbraw/zinc/97/31/34/358973134.db2.gz LKIBJAKKSGAKKN-ZFWWWQNUSA-N 2 2 291.395 0.393 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]([NH3+])Cc2ccccc2)CCO1 ZINC000573493978 358973137 /nfs/dbraw/zinc/97/31/37/358973137.db2.gz LKIBJAKKSGAKKN-ZFWWWQNUSA-N 2 2 291.395 0.393 20 0 CCADLP C[N@@H+]1CCN(C(=O)C2CC3(CCC3)C2)[C@H](C[NH3+])C1 ZINC000571204921 358922985 /nfs/dbraw/zinc/92/29/85/358922985.db2.gz HYQHDSPWVFBVOG-GFCCVEGCSA-N 2 2 251.374 0.668 20 0 CCADLP C[N@H+]1CCN(C(=O)C2CC3(CCC3)C2)[C@H](C[NH3+])C1 ZINC000571204921 358922989 /nfs/dbraw/zinc/92/29/89/358922989.db2.gz HYQHDSPWVFBVOG-GFCCVEGCSA-N 2 2 251.374 0.668 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]([NH3+])c1cscn1)C[NH+]1CCCC1 ZINC000574036188 359022208 /nfs/dbraw/zinc/02/22/08/359022208.db2.gz KTWQPDBNWWZATL-JQWIXIFHSA-N 2 2 282.413 0.991 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])c1cscn1 ZINC000573797312 358999649 /nfs/dbraw/zinc/99/96/49/358999649.db2.gz CVGYELOEJJEDEZ-ZYHUDNBSSA-N 2 2 298.412 0.370 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])c1cscn1 ZINC000573797312 358999652 /nfs/dbraw/zinc/99/96/52/358999652.db2.gz CVGYELOEJJEDEZ-ZYHUDNBSSA-N 2 2 298.412 0.370 20 0 CCADLP CC(=O)[C@](C)(O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000573859801 359006240 /nfs/dbraw/zinc/00/62/40/359006240.db2.gz CQQKVMWSFUJTAL-WCQYABFASA-N 2 2 251.330 0.549 20 0 CCADLP CN(CCC[NH3+])C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000582312929 359135163 /nfs/dbraw/zinc/13/51/63/359135163.db2.gz QBVWUWJIOJLAEP-VIFPVBQESA-N 2 2 251.334 0.257 20 0 CCADLP CN(CCC[NH3+])C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000582312929 359135167 /nfs/dbraw/zinc/13/51/67/359135167.db2.gz QBVWUWJIOJLAEP-VIFPVBQESA-N 2 2 251.334 0.257 20 0 CCADLP CC(C)N1CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1=O ZINC000583258835 359152916 /nfs/dbraw/zinc/15/29/16/359152916.db2.gz UKFAGWIDEYGKMB-CHWSQXEVSA-N 2 2 269.389 0.040 20 0 CCADLP CC(C)N1CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1=O ZINC000583258835 359152920 /nfs/dbraw/zinc/15/29/20/359152920.db2.gz UKFAGWIDEYGKMB-CHWSQXEVSA-N 2 2 269.389 0.040 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000584728271 359197445 /nfs/dbraw/zinc/19/74/45/359197445.db2.gz HBZZGGPSQZWOGX-OLZOCXBDSA-N 2 2 293.415 0.381 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000584728271 359197450 /nfs/dbraw/zinc/19/74/50/359197450.db2.gz HBZZGGPSQZWOGX-OLZOCXBDSA-N 2 2 293.415 0.381 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000584728271 359197452 /nfs/dbraw/zinc/19/74/52/359197452.db2.gz HBZZGGPSQZWOGX-OLZOCXBDSA-N 2 2 293.415 0.381 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000584728271 359197457 /nfs/dbraw/zinc/19/74/57/359197457.db2.gz HBZZGGPSQZWOGX-OLZOCXBDSA-N 2 2 293.415 0.381 20 0 CCADLP C[C@@H](COCC(F)(F)F)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000562986715 291178465 /nfs/dbraw/zinc/17/84/65/291178465.db2.gz NYABQJDDJUINJS-ONGXEEELSA-N 2 2 284.322 0.999 20 0 CCADLP C[C@@H](COCC(F)(F)F)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000562986715 291178466 /nfs/dbraw/zinc/17/84/66/291178466.db2.gz NYABQJDDJUINJS-ONGXEEELSA-N 2 2 284.322 0.999 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000591176918 359566184 /nfs/dbraw/zinc/56/61/84/359566184.db2.gz HAGKMBIOYNOFLZ-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000591176918 359566189 /nfs/dbraw/zinc/56/61/89/359566189.db2.gz HAGKMBIOYNOFLZ-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000591176918 359566195 /nfs/dbraw/zinc/56/61/95/359566195.db2.gz HAGKMBIOYNOFLZ-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000591176918 359566200 /nfs/dbraw/zinc/56/62/00/359566200.db2.gz HAGKMBIOYNOFLZ-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP Cc1nc(N2CCN(C(=O)/C=C\C[NH+](C)C)CC2)cc[nH+]1 ZINC000492558515 237222269 /nfs/dbraw/zinc/22/22/69/237222269.db2.gz GDMNMZPVFOJAPL-PLNGDYQASA-N 2 2 289.383 0.551 20 0 CCADLP [NH3+][C@H](C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)c1cscn1 ZINC000563087593 291190188 /nfs/dbraw/zinc/19/01/88/291190188.db2.gz WTDPRTPIZSYDSR-WCQYABFASA-N 2 2 280.397 0.745 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2c[nH]c3ncccc23)[C@@H](C[NH3+])C1 ZINC000563102027 291193253 /nfs/dbraw/zinc/19/32/53/291193253.db2.gz UHOQYOHXRLXMGT-LBPRGKRZSA-N 2 2 287.367 0.207 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2c[nH]c3ncccc23)[C@@H](C[NH3+])C1 ZINC000563102027 291193256 /nfs/dbraw/zinc/19/32/56/291193256.db2.gz UHOQYOHXRLXMGT-LBPRGKRZSA-N 2 2 287.367 0.207 20 0 CCADLP [NH3+]CC[C@@H]1CCCN(C(=O)[C@H]([NH3+])c2cscn2)C1 ZINC000563107896 291194184 /nfs/dbraw/zinc/19/41/84/291194184.db2.gz QNPAKDCBACLLOQ-GXSJLCMTSA-N 2 2 268.386 0.730 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000592484944 359853526 /nfs/dbraw/zinc/85/35/26/359853526.db2.gz KAJKKSYSHGOBJT-UHFFFAOYSA-N 2 2 256.350 0.035 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000297703312 200265190 /nfs/dbraw/zinc/26/51/90/200265190.db2.gz XPKCGHAWZGITLE-NEPJUHHUSA-N 2 2 280.372 0.105 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000297703312 200265192 /nfs/dbraw/zinc/26/51/92/200265192.db2.gz XPKCGHAWZGITLE-NEPJUHHUSA-N 2 2 280.372 0.105 20 0 CCADLP CCOC[C@@H](C(=O)OC)[N@H+](C)CCn1cc[nH+]c1 ZINC000611225228 363687981 /nfs/dbraw/zinc/68/79/81/363687981.db2.gz WNUOMYJNJPIGRO-NSHDSACASA-N 2 2 255.318 0.393 20 0 CCADLP CCOC[C@@H](C(=O)OC)[N@@H+](C)CCn1cc[nH+]c1 ZINC000611225228 363687988 /nfs/dbraw/zinc/68/79/88/363687988.db2.gz WNUOMYJNJPIGRO-NSHDSACASA-N 2 2 255.318 0.393 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H](C)C[N@@H+]1C ZINC000563204566 291204970 /nfs/dbraw/zinc/20/49/70/291204970.db2.gz SOTWEXVENJMITE-AGIUHOORSA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H](C)C[N@H+]1C ZINC000563204566 291204973 /nfs/dbraw/zinc/20/49/73/291204973.db2.gz SOTWEXVENJMITE-AGIUHOORSA-N 2 2 276.384 0.997 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)[C@@H](c2c[nH+]cn2C)N(C)C)CC[NH2+]1 ZINC000621158825 366661031 /nfs/dbraw/zinc/66/10/31/366661031.db2.gz YJZUCBOCZUCFBY-GXTWGEPZSA-N 2 2 293.415 0.479 20 0 CCADLP COC(=O)CC1(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000593051577 360021695 /nfs/dbraw/zinc/02/16/95/360021695.db2.gz LIKUDGPRTQEMRI-UHFFFAOYSA-N 2 2 297.399 0.036 20 0 CCADLP COC(=O)CC1(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)CC1 ZINC000593051577 360021697 /nfs/dbraw/zinc/02/16/97/360021697.db2.gz LIKUDGPRTQEMRI-UHFFFAOYSA-N 2 2 297.399 0.036 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000563353566 291215833 /nfs/dbraw/zinc/21/58/33/291215833.db2.gz CUCIPFDTKQEGBZ-ZDUSSCGKSA-N 2 2 271.405 0.099 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000563353566 291215834 /nfs/dbraw/zinc/21/58/34/291215834.db2.gz CUCIPFDTKQEGBZ-ZDUSSCGKSA-N 2 2 271.405 0.099 20 0 CCADLP COC(=O)[C@H](C)CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000593907478 360204669 /nfs/dbraw/zinc/20/46/69/360204669.db2.gz PRJQBCPOFYBSJU-PWSUYJOCSA-N 2 2 285.388 0.066 20 0 CCADLP CCc1cc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[nH]n1 ZINC000177133293 189031551 /nfs/dbraw/zinc/03/15/51/189031551.db2.gz RDVLQAPGLBOWEC-UHFFFAOYSA-N 2 2 293.415 0.728 20 0 CCADLP Cn1cccc1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177148767 189032497 /nfs/dbraw/zinc/03/24/97/189032497.db2.gz OWCWXDHZLNTJMO-UHFFFAOYSA-N 2 2 278.400 0.781 20 0 CCADLP c1cc2n(n1)C[C@@H](C[NH2+][C@H]1CC[N@H+](CC3CC3)C1)CN2 ZINC000595143320 360442926 /nfs/dbraw/zinc/44/29/26/360442926.db2.gz ANTPDWMNDRCGMU-KBPBESRZSA-N 2 2 275.400 0.999 20 0 CCADLP c1cc2n(n1)C[C@@H](C[NH2+][C@H]1CC[N@@H+](CC3CC3)C1)CN2 ZINC000595143320 360442931 /nfs/dbraw/zinc/44/29/31/360442931.db2.gz ANTPDWMNDRCGMU-KBPBESRZSA-N 2 2 275.400 0.999 20 0 CCADLP c1cc2n(n1)C[C@H](C[NH2+]CCCn1cc[nH+]c1)CN2 ZINC000595139783 360443075 /nfs/dbraw/zinc/44/30/75/360443075.db2.gz UFIDLULKJCAUTQ-GFCCVEGCSA-N 2 2 260.345 0.801 20 0 CCADLP COCC[N@H+](C)CC[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000595147213 360444021 /nfs/dbraw/zinc/44/40/21/360444021.db2.gz RPIBCMRDDBRLLF-LBPRGKRZSA-N 2 2 267.377 0.093 20 0 CCADLP COCC[N@@H+](C)CC[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000595147213 360444028 /nfs/dbraw/zinc/44/40/28/360444028.db2.gz RPIBCMRDDBRLLF-LBPRGKRZSA-N 2 2 267.377 0.093 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC[NH+]1CCC(OC)CC1 ZINC000594942053 360421182 /nfs/dbraw/zinc/42/11/82/360421182.db2.gz VQQBWKSCWIFOGI-IACUBPJLSA-N 2 2 284.400 0.884 20 0 CCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C[NH2+]C(C)C)CC1 ZINC000595928355 360707396 /nfs/dbraw/zinc/70/73/96/360707396.db2.gz QYRXTRJPTOFZAO-LBPRGKRZSA-N 2 2 285.388 0.080 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000595927015 360707733 /nfs/dbraw/zinc/70/77/33/360707733.db2.gz NAPWFQMNOZOJKJ-RYUDHWBXSA-N 2 2 285.388 0.080 20 0 CCADLP Cc1ncc(C[NH+]2CCN(C(=O)CCC[NH3+])CC2)s1 ZINC000178884087 189152361 /nfs/dbraw/zinc/15/23/61/189152361.db2.gz RBMXSEVVTLXBRP-UHFFFAOYSA-N 2 2 282.413 0.835 20 0 CCADLP CC(C)(C)n1nnc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)n1 ZINC000655938721 412708719 /nfs/dbraw/zinc/70/87/19/412708719.db2.gz CYPDLKPLHAZINO-NSHDSACASA-N 2 2 266.393 0.989 20 0 CCADLP CC(C)(C)n1nnc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)n1 ZINC000655938721 412708723 /nfs/dbraw/zinc/70/87/23/412708723.db2.gz CYPDLKPLHAZINO-NSHDSACASA-N 2 2 266.393 0.989 20 0 CCADLP CN(C(=O)c1ccc(-n2cc[nH+]c2)nc1)[C@H]1CC[NH2+]C1 ZINC000179110885 189170320 /nfs/dbraw/zinc/17/03/20/189170320.db2.gz RABBYJFITCGIEA-LBPRGKRZSA-N 2 2 271.324 0.701 20 0 CCADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCn2cncn2)CC1 ZINC000563674028 291246404 /nfs/dbraw/zinc/24/64/04/291246404.db2.gz YAIWAFJHDSMAIC-ZDUSSCGKSA-N 2 2 279.388 0.463 20 0 CCADLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCn2cncn2)CC1 ZINC000563674028 291246406 /nfs/dbraw/zinc/24/64/06/291246406.db2.gz YAIWAFJHDSMAIC-ZDUSSCGKSA-N 2 2 279.388 0.463 20 0 CCADLP C[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)[C@H]1CCCC[NH2+]1 ZINC000333758464 299319011 /nfs/dbraw/zinc/31/90/11/299319011.db2.gz AENOVBMZJNCDGC-YNEHKIRRSA-N 2 2 289.445 0.531 20 0 CCADLP CSC1(C(=O)NCC[N@H+](C)CCC[NH+](C)C)CC1 ZINC000597989731 361298350 /nfs/dbraw/zinc/29/83/50/361298350.db2.gz IOYRYXJKRNGONG-UHFFFAOYSA-N 2 2 273.446 0.882 20 0 CCADLP CSC1(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000597989731 361298357 /nfs/dbraw/zinc/29/83/57/361298357.db2.gz IOYRYXJKRNGONG-UHFFFAOYSA-N 2 2 273.446 0.882 20 0 CCADLP CCOc1cncc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)c1 ZINC000621331968 366737037 /nfs/dbraw/zinc/73/70/37/366737037.db2.gz WRYTZLKBJZRYOM-UHFFFAOYSA-N 2 2 292.383 0.344 20 0 CCADLP Nc1c(N[C@@H]2CCC[C@H]([NH3+])C2)[nH+]cnc1-n1cccn1 ZINC000420235719 283653638 /nfs/dbraw/zinc/65/36/38/283653638.db2.gz IWDBJZGPZNQPJL-VHSXEESVSA-N 2 2 273.344 0.926 20 0 CCADLP O=C1[C@@H]([NH+]2CCN([C@H]3CC[NH2+]C3)CC2)CCN1C1CCC1 ZINC000631826099 370692555 /nfs/dbraw/zinc/69/25/55/370692555.db2.gz FANGHGXMMLKYPO-GJZGRUSLSA-N 2 2 292.427 0.119 20 0 CCADLP O=C1[C@H]([NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)CCN1C1CCC1 ZINC000631826100 370693252 /nfs/dbraw/zinc/69/32/52/370693252.db2.gz FANGHGXMMLKYPO-HUUCEWRRSA-N 2 2 292.427 0.119 20 0 CCADLP COC[C@H](C)[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000631827756 370695225 /nfs/dbraw/zinc/69/52/25/370695225.db2.gz WCCLMZYEYITDJB-NSHDSACASA-N 2 2 279.388 0.596 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCC2CC(O)C2)C[C@H](C)O1 ZINC000564210694 291270324 /nfs/dbraw/zinc/27/03/24/291270324.db2.gz HZPGJECSVOQYLG-DXGYCSDQSA-N 2 2 286.416 0.207 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCC2CC(O)C2)C[C@H](C)O1 ZINC000564210694 291270325 /nfs/dbraw/zinc/27/03/25/291270325.db2.gz HZPGJECSVOQYLG-DXGYCSDQSA-N 2 2 286.416 0.207 20 0 CCADLP C[NH+](C)C1(C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000611873667 363799065 /nfs/dbraw/zinc/79/90/65/363799065.db2.gz CZTAGLWOTVHRLG-UHFFFAOYSA-N 2 2 281.400 0.404 20 0 CCADLP COC(=O)C1CCC([NH2+]CC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000599094381 361571878 /nfs/dbraw/zinc/57/18/78/361571878.db2.gz VCVGRJZOSTYQOW-BPCQOVAHSA-N 2 2 270.373 0.374 20 0 CCADLP COC(=O)C1CCC([NH2+]CC[N@H+]2CC[C@H](O)C2)CC1 ZINC000599094381 361571884 /nfs/dbraw/zinc/57/18/84/361571884.db2.gz VCVGRJZOSTYQOW-BPCQOVAHSA-N 2 2 270.373 0.374 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C[NH+]2CC(C)(C)C2)CCO1 ZINC000564466583 291281658 /nfs/dbraw/zinc/28/16/58/291281658.db2.gz QYFXSQHCZSSRSA-GFCCVEGCSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C[NH+]2CC(C)(C)C2)CCO1 ZINC000564466583 291281661 /nfs/dbraw/zinc/28/16/61/291281661.db2.gz QYFXSQHCZSSRSA-GFCCVEGCSA-N 2 2 269.389 0.165 20 0 CCADLP CSC[C@H](O)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000599472154 361713354 /nfs/dbraw/zinc/71/33/54/361713354.db2.gz APXCISUYCQAFTN-CYBMUJFWSA-N 2 2 274.430 0.507 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CC2(C)CC2)C[C@H](C)O1 ZINC000564650562 291290659 /nfs/dbraw/zinc/29/06/59/291290659.db2.gz BMKMTEJUJXVLOJ-XQQFMLRXSA-N 2 2 256.390 0.846 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CC2(C)CC2)C[C@H](C)O1 ZINC000564650562 291290660 /nfs/dbraw/zinc/29/06/60/291290660.db2.gz BMKMTEJUJXVLOJ-XQQFMLRXSA-N 2 2 256.390 0.846 20 0 CCADLP Cc1[nH+]c2cc(NC(=O)COC3C[NH2+]C3)ccc2n1C ZINC000564726881 291296500 /nfs/dbraw/zinc/29/65/00/291296500.db2.gz RIQSSECLJITOKA-UHFFFAOYSA-N 2 2 274.324 0.809 20 0 CCADLP O=C([C@@H]1C[NH2+]CCO1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000430770899 296055109 /nfs/dbraw/zinc/05/51/09/296055109.db2.gz AEWCRCLPMLWARD-LBPRGKRZSA-N 2 2 264.329 0.104 20 0 CCADLP O=C([C@@H]1C[NH2+]CCO1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000430770899 296055110 /nfs/dbraw/zinc/05/51/10/296055110.db2.gz AEWCRCLPMLWARD-LBPRGKRZSA-N 2 2 264.329 0.104 20 0 CCADLP C[C@@H](CC(=O)NCCC[N@H+](C)CCN(C)C)n1cc[nH+]c1 ZINC000564804774 291301977 /nfs/dbraw/zinc/30/19/77/291301977.db2.gz UCJAKFLAHPQWLV-AWEZNQCLSA-N 2 2 295.431 0.834 20 0 CCADLP C[C@@H](CC(=O)NCCC[N@@H+](C)CCN(C)C)n1cc[nH+]c1 ZINC000564804774 291301979 /nfs/dbraw/zinc/30/19/79/291301979.db2.gz UCJAKFLAHPQWLV-AWEZNQCLSA-N 2 2 295.431 0.834 20 0 CCADLP C[C@@H](CC(=O)NCCCN(C)CC[NH+](C)C)n1cc[nH+]c1 ZINC000564804774 291301981 /nfs/dbraw/zinc/30/19/81/291301981.db2.gz UCJAKFLAHPQWLV-AWEZNQCLSA-N 2 2 295.431 0.834 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCCC[C@H]([NH3+])C2)CC1 ZINC000631834842 370701120 /nfs/dbraw/zinc/70/11/20/370701120.db2.gz HANKDTVTOQGSHB-AWEZNQCLSA-N 3 2 282.432 0.354 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCCCC[C@H]([NH3+])C2)CC1 ZINC000631834842 370701126 /nfs/dbraw/zinc/70/11/26/370701126.db2.gz HANKDTVTOQGSHB-AWEZNQCLSA-N 3 2 282.432 0.354 20 0 CCADLP C[C@@H]1C[N@H+](CCS(=O)(=O)c2ccccc2)C[C@H]1C[NH3+] ZINC000631840154 370705685 /nfs/dbraw/zinc/70/56/85/370705685.db2.gz QEYOHZYDUSNZBJ-CHWSQXEVSA-N 2 2 282.409 0.987 20 0 CCADLP C[C@@H]1C[N@@H+](CCS(=O)(=O)c2ccccc2)C[C@H]1C[NH3+] ZINC000631840154 370705689 /nfs/dbraw/zinc/70/56/89/370705689.db2.gz QEYOHZYDUSNZBJ-CHWSQXEVSA-N 2 2 282.409 0.987 20 0 CCADLP CN(CCC[NH+](C)C)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000613259352 364185618 /nfs/dbraw/zinc/18/56/18/364185618.db2.gz GXIBITXAZYLDGE-NSHDSACASA-N 2 2 264.373 0.925 20 0 CCADLP CN(CCC[NH+](C)C)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000613259352 364185625 /nfs/dbraw/zinc/18/56/25/364185625.db2.gz GXIBITXAZYLDGE-NSHDSACASA-N 2 2 264.373 0.925 20 0 CCADLP Cc1[nH+]ccn1CCC[NH+]1CCC([NH2+]CCO)CC1 ZINC000631862236 370721998 /nfs/dbraw/zinc/72/19/98/370721998.db2.gz GWGHLZFIPDDYKZ-UHFFFAOYSA-N 3 2 266.389 0.628 20 0 CCADLP C[C@H]1CCCN(C(=O)C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)C1 ZINC000631868110 370726931 /nfs/dbraw/zinc/72/69/31/370726931.db2.gz XICLLNVDCOKAED-GUTXKFCHSA-N 2 2 265.401 0.977 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)C1 ZINC000631868111 370727194 /nfs/dbraw/zinc/72/71/94/370727194.db2.gz XICLLNVDCOKAED-NFAWXSAZSA-N 2 2 265.401 0.977 20 0 CCADLP C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC000614032931 364466444 /nfs/dbraw/zinc/46/64/44/364466444.db2.gz DDSFAHVRCKLXQZ-GFCCVEGCSA-N 2 2 274.368 0.610 20 0 CCADLP C[C@@H]1CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@H]1CO ZINC000621736746 366856495 /nfs/dbraw/zinc/85/64/95/366856495.db2.gz GDVSEQUVUYBXLR-NEPJUHHUSA-N 2 2 266.389 0.936 20 0 CCADLP C[C@@H]1CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@H]1CO ZINC000621736746 366856498 /nfs/dbraw/zinc/85/64/98/366856498.db2.gz GDVSEQUVUYBXLR-NEPJUHHUSA-N 2 2 266.389 0.936 20 0 CCADLP CC(=O)N1CC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c2ccccc21 ZINC000621752330 366860572 /nfs/dbraw/zinc/86/05/72/366860572.db2.gz YALITGHYJHFLFP-DZGCQCFKSA-N 2 2 291.395 0.996 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)CO)CC1 ZINC000342790167 216537081 /nfs/dbraw/zinc/53/70/81/216537081.db2.gz ZDVDXUIQRYJDCR-NSHDSACASA-N 2 2 258.362 0.374 20 0 CCADLP C[C@]1(F)C[NH2+]CCN(C(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000564958492 291326629 /nfs/dbraw/zinc/32/66/29/291326629.db2.gz NCOFJIOZULAZNA-ONGXEEELSA-N 2 2 272.349 0.303 20 0 CCADLP C[C@H](CCO)CC[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000564979143 291329849 /nfs/dbraw/zinc/32/98/49/291329849.db2.gz QWSQGVNPHRRFHZ-BYNSBNAKSA-N 2 2 288.432 0.455 20 0 CCADLP C[C@H](CCO)CC[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000564979143 291329851 /nfs/dbraw/zinc/32/98/51/291329851.db2.gz QWSQGVNPHRRFHZ-BYNSBNAKSA-N 2 2 288.432 0.455 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC000564987920 291331733 /nfs/dbraw/zinc/33/17/33/291331733.db2.gz YAASBQQIUPQLCQ-AWEZNQCLSA-N 3 2 254.422 0.436 20 0 CCADLP O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCn2cc[nH+]c2C1 ZINC000353458402 296073364 /nfs/dbraw/zinc/07/33/64/296073364.db2.gz JFCYKNGLJWPPKT-QWHCGFSZSA-N 2 2 274.368 0.861 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(C[NH+](C)C)C1 ZINC000615502767 364984512 /nfs/dbraw/zinc/98/45/12/364984512.db2.gz PBCQFWLAOFNMIN-SNVBAGLBSA-N 2 2 250.346 0.608 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC(C[NH+](C)C)C1 ZINC000615502767 364984516 /nfs/dbraw/zinc/98/45/16/364984516.db2.gz PBCQFWLAOFNMIN-SNVBAGLBSA-N 2 2 250.346 0.608 20 0 CCADLP CN(C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccc(F)cc1 ZINC000565043176 291339748 /nfs/dbraw/zinc/33/97/48/291339748.db2.gz CCXZADNIASBGEK-CYBMUJFWSA-N 2 2 280.347 0.957 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615536395 364996631 /nfs/dbraw/zinc/99/66/31/364996631.db2.gz IPAFXSMWSZTPNW-LSDHHAIUSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615536395 364996636 /nfs/dbraw/zinc/99/66/36/364996636.db2.gz IPAFXSMWSZTPNW-LSDHHAIUSA-N 2 2 295.427 0.794 20 0 CCADLP COC[C@@H](O)C[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000565168013 291350503 /nfs/dbraw/zinc/35/05/03/291350503.db2.gz AWYKJWMUTRMCCM-OCCSQVGLSA-N 2 2 272.389 0.179 20 0 CCADLP COC[C@@H](O)C[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000565168013 291350504 /nfs/dbraw/zinc/35/05/04/291350504.db2.gz AWYKJWMUTRMCCM-OCCSQVGLSA-N 2 2 272.389 0.179 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1[C@H]1CCCO1 ZINC000565166753 291350907 /nfs/dbraw/zinc/35/09/07/291350907.db2.gz UQDZRCHHTFNCDD-SOUVJXGZSA-N 2 2 286.416 0.569 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1[C@H]1CCCO1 ZINC000565166753 291350908 /nfs/dbraw/zinc/35/09/08/291350908.db2.gz UQDZRCHHTFNCDD-SOUVJXGZSA-N 2 2 286.416 0.569 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000565166753 291350909 /nfs/dbraw/zinc/35/09/09/291350909.db2.gz UQDZRCHHTFNCDD-SOUVJXGZSA-N 2 2 286.416 0.569 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000565166753 291350910 /nfs/dbraw/zinc/35/09/10/291350910.db2.gz UQDZRCHHTFNCDD-SOUVJXGZSA-N 2 2 286.416 0.569 20 0 CCADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCN1C[C@H]3CC[C@@H](C1)O3)C2 ZINC000621784778 366867983 /nfs/dbraw/zinc/86/79/83/366867983.db2.gz UZRDAFDJIJGSAC-KBXIAJHMSA-N 2 2 265.401 0.663 20 0 CCADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCN1C[C@H]3CC[C@@H](C1)O3)C2 ZINC000621784778 366867986 /nfs/dbraw/zinc/86/79/86/366867986.db2.gz UZRDAFDJIJGSAC-KBXIAJHMSA-N 2 2 265.401 0.663 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)c2c[nH+]ccc2N)n1C ZINC000275741973 193116927 /nfs/dbraw/zinc/11/69/27/193116927.db2.gz ZOXDYTCPLRVXKV-UHFFFAOYSA-N 2 2 274.328 0.393 20 0 CCADLP CC1(C)C[NH+](CC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000565191872 291355904 /nfs/dbraw/zinc/35/59/04/291355904.db2.gz WWACOBXXMIPUMY-AWEZNQCLSA-N 2 2 295.427 0.651 20 0 CCADLP CC1CC(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000621850941 366894939 /nfs/dbraw/zinc/89/49/39/366894939.db2.gz HJYHAAQRVBCQNU-HTAVTVPLSA-N 2 2 254.378 0.317 20 0 CCADLP CC1CC(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000621850941 366894945 /nfs/dbraw/zinc/89/49/45/366894945.db2.gz HJYHAAQRVBCQNU-HTAVTVPLSA-N 2 2 254.378 0.317 20 0 CCADLP CC(C)(C(=O)NC[C@H]1CCCC[N@@H+]1CCO)c1c[nH]c[nH+]1 ZINC000622074607 367006466 /nfs/dbraw/zinc/00/64/66/367006466.db2.gz CAAMVSQGAUHFOE-GFCCVEGCSA-N 2 2 294.399 0.650 20 0 CCADLP CC(C)(C(=O)NC[C@H]1CCCC[N@H+]1CCO)c1c[nH]c[nH+]1 ZINC000622074607 367006472 /nfs/dbraw/zinc/00/64/72/367006472.db2.gz CAAMVSQGAUHFOE-GFCCVEGCSA-N 2 2 294.399 0.650 20 0 CCADLP CC(C)(C(=O)NC[C@H]1CCCC[N@@H+]1CCO)c1c[nH+]c[nH]1 ZINC000622074607 367006485 /nfs/dbraw/zinc/00/64/85/367006485.db2.gz CAAMVSQGAUHFOE-GFCCVEGCSA-N 2 2 294.399 0.650 20 0 CCADLP CC(C)(C(=O)NC[C@H]1CCCC[N@H+]1CCO)c1c[nH+]c[nH]1 ZINC000622074607 367006492 /nfs/dbraw/zinc/00/64/92/367006492.db2.gz CAAMVSQGAUHFOE-GFCCVEGCSA-N 2 2 294.399 0.650 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000335558255 212266295 /nfs/dbraw/zinc/26/62/95/212266295.db2.gz JACXPKQCFYMVBD-LLVKDONJSA-N 2 2 262.357 0.654 20 0 CCADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)C(C)(C)[NH3+] ZINC000566195575 291372799 /nfs/dbraw/zinc/37/27/99/291372799.db2.gz AUDBCXGKXREKIO-QWRGUYRKSA-N 2 2 297.378 0.186 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCc1ccc[nH+]c1N(C)C ZINC000622307757 367110996 /nfs/dbraw/zinc/11/09/96/367110996.db2.gz KTIUOZVHJREMPG-UHFFFAOYSA-N 2 2 273.340 0.969 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC1CCC([NH+](C)C)CC1 ZINC000622727212 367359034 /nfs/dbraw/zinc/35/90/34/367359034.db2.gz HHDAQRFJPJDHFP-UHFFFAOYSA-N 2 2 264.373 0.952 20 0 CCADLP [NH3+][C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC000623180625 367469147 /nfs/dbraw/zinc/46/91/47/367469147.db2.gz QYRPKAAXFUAAKX-XUJVJEKNSA-N 2 2 274.368 0.785 20 0 CCADLP Cn1cc[nH+]c1N1CCC(NC(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000566249621 291384257 /nfs/dbraw/zinc/38/42/57/291384257.db2.gz ZUGVSVWARPERJJ-LLVKDONJSA-N 2 2 295.412 0.168 20 0 CCADLP C[N@@H+]1CCN(C(=O)N2CCc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000623067105 367434399 /nfs/dbraw/zinc/43/43/99/367434399.db2.gz ZHCBOKAUAJDRFT-OAHLLOKOSA-N 2 2 288.395 0.739 20 0 CCADLP C[N@H+]1CCN(C(=O)N2CCc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000623067105 367434406 /nfs/dbraw/zinc/43/44/06/367434406.db2.gz ZHCBOKAUAJDRFT-OAHLLOKOSA-N 2 2 288.395 0.739 20 0 CCADLP Cc1[nH]ncc1C[NH2+]CCCN(C)CC[NH+](C)C ZINC000623088064 367448158 /nfs/dbraw/zinc/44/81/58/367448158.db2.gz VAMYBOLNEUEGOP-UHFFFAOYSA-N 2 2 253.394 0.691 20 0 CCADLP C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623176039 367462668 /nfs/dbraw/zinc/46/26/68/367462668.db2.gz BPKWIANGEUTCPA-VXGBXAGGSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623306018 367527413 /nfs/dbraw/zinc/52/74/13/367527413.db2.gz FJYZTBHUIHWBGS-STQMWFEESA-N 2 2 292.383 0.282 20 0 CCADLP C[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1(C)C ZINC000623373099 367550672 /nfs/dbraw/zinc/55/06/72/367550672.db2.gz RUYCNAZSGXHBMU-KGLIPLIRSA-N 3 2 269.433 0.906 20 0 CCADLP C[N@H+]1CC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1(C)C ZINC000623373099 367550678 /nfs/dbraw/zinc/55/06/78/367550678.db2.gz RUYCNAZSGXHBMU-KGLIPLIRSA-N 3 2 269.433 0.906 20 0 CCADLP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1COCC[NH+]1C ZINC000623461259 367566838 /nfs/dbraw/zinc/56/68/38/367566838.db2.gz DVBFAFGYIXRTDC-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H]1COCC[NH+]1C ZINC000623461259 367566841 /nfs/dbraw/zinc/56/68/41/367566841.db2.gz DVBFAFGYIXRTDC-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623461259 367566850 /nfs/dbraw/zinc/56/68/50/367566850.db2.gz DVBFAFGYIXRTDC-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623461259 367566858 /nfs/dbraw/zinc/56/68/58/367566858.db2.gz DVBFAFGYIXRTDC-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CC1CC[NH+](CCNC(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000623461552 367567151 /nfs/dbraw/zinc/56/71/51/367567151.db2.gz OLKSIDFJFYNYMU-AWEZNQCLSA-N 2 2 298.431 0.348 20 0 CCADLP CC1CC[NH+](CCNC(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000623461552 367567156 /nfs/dbraw/zinc/56/71/56/367567156.db2.gz OLKSIDFJFYNYMU-AWEZNQCLSA-N 2 2 298.431 0.348 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623266058 367504078 /nfs/dbraw/zinc/50/40/78/367504078.db2.gz QTPHEEFJCFMJOU-LLVKDONJSA-N 2 2 259.313 0.601 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cccc(O)c1 ZINC000623617707 367604036 /nfs/dbraw/zinc/60/40/36/367604036.db2.gz LBUSZGONMWSAEE-AWEZNQCLSA-N 2 2 277.368 0.822 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cccc(O)c1 ZINC000623617707 367604042 /nfs/dbraw/zinc/60/40/42/367604042.db2.gz LBUSZGONMWSAEE-AWEZNQCLSA-N 2 2 277.368 0.822 20 0 CCADLP CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623564249 367592351 /nfs/dbraw/zinc/59/23/51/367592351.db2.gz XDYGTYKIIJMLHB-SDDRHHMPSA-N 2 2 290.429 0.261 20 0 CCADLP CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623564249 367592354 /nfs/dbraw/zinc/59/23/54/367592354.db2.gz XDYGTYKIIJMLHB-SDDRHHMPSA-N 2 2 290.429 0.261 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC[C@@H]1COCC[NH+]1C ZINC000623749041 367644836 /nfs/dbraw/zinc/64/48/36/367644836.db2.gz SCKQZINHDAZTGH-MRVWCRGKSA-N 2 2 296.415 0.099 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC[C@@H]1COCC[NH+]1C ZINC000623749041 367644840 /nfs/dbraw/zinc/64/48/40/367644840.db2.gz SCKQZINHDAZTGH-MRVWCRGKSA-N 2 2 296.415 0.099 20 0 CCADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623749041 367644847 /nfs/dbraw/zinc/64/48/47/367644847.db2.gz SCKQZINHDAZTGH-MRVWCRGKSA-N 2 2 296.415 0.099 20 0 CCADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623749041 367644853 /nfs/dbraw/zinc/64/48/53/367644853.db2.gz SCKQZINHDAZTGH-MRVWCRGKSA-N 2 2 296.415 0.099 20 0 CCADLP COc1ccc(C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)cc1OC ZINC000623757438 367646708 /nfs/dbraw/zinc/64/67/08/367646708.db2.gz WXPYSGWFKLZXEW-CYBMUJFWSA-N 2 2 280.368 0.860 20 0 CCADLP COc1ccc(C[NH2+]CC[N@H+]2CC[C@@H](O)C2)cc1OC ZINC000623757438 367646719 /nfs/dbraw/zinc/64/67/19/367646719.db2.gz WXPYSGWFKLZXEW-CYBMUJFWSA-N 2 2 280.368 0.860 20 0 CCADLP COCc1cccc(C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)c1 ZINC000623759093 367647150 /nfs/dbraw/zinc/64/71/50/367647150.db2.gz ZULWPVJXJNMPIX-OAHLLOKOSA-N 2 2 264.369 0.989 20 0 CCADLP COCc1cccc(C[NH2+]CC[N@H+]2CC[C@@H](O)C2)c1 ZINC000623759093 367647155 /nfs/dbraw/zinc/64/71/55/367647155.db2.gz ZULWPVJXJNMPIX-OAHLLOKOSA-N 2 2 264.369 0.989 20 0 CCADLP O[C@H]1CC[N@H+](CC[NH2+]Cc2ccc3c(c2)OCCO3)C1 ZINC000623836109 367673620 /nfs/dbraw/zinc/67/36/20/367673620.db2.gz LNQIYYGRCGXFOG-ZDUSSCGKSA-N 2 2 278.352 0.614 20 0 CCADLP O[C@H]1CC[N@@H+](CC[NH2+]Cc2ccc3c(c2)OCCO3)C1 ZINC000623836109 367673623 /nfs/dbraw/zinc/67/36/23/367673623.db2.gz LNQIYYGRCGXFOG-ZDUSSCGKSA-N 2 2 278.352 0.614 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCc3scnc32)CC1 ZINC000623878835 367685119 /nfs/dbraw/zinc/68/51/19/367685119.db2.gz QSMKZZXBPODEPI-NSHDSACASA-N 2 2 294.424 0.884 20 0 CCADLP Nc1nc(N)[nH+]c(N2CCC(C[NH+]3CCCCC3)CC2)n1 ZINC000623902182 367691409 /nfs/dbraw/zinc/69/14/09/367691409.db2.gz CTDGEHWQWNHUEM-UHFFFAOYSA-N 2 2 291.403 0.399 20 0 CCADLP C[C@@H](Cc1cnccn1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624086418 367748981 /nfs/dbraw/zinc/74/89/81/367748981.db2.gz FDOWPTDOZVDSMU-JSGCOSHPSA-N 2 2 291.399 0.337 20 0 CCADLP C[C@@H](Cc1cnccn1)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624086418 367748993 /nfs/dbraw/zinc/74/89/93/367748993.db2.gz FDOWPTDOZVDSMU-JSGCOSHPSA-N 2 2 291.399 0.337 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000624336596 367838128 /nfs/dbraw/zinc/83/81/28/367838128.db2.gz UWBMYHMXKLBRSW-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000624336596 367838132 /nfs/dbraw/zinc/83/81/32/367838132.db2.gz UWBMYHMXKLBRSW-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP C[NH+]1CCOC[C@H]1CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000624336596 367838137 /nfs/dbraw/zinc/83/81/37/367838137.db2.gz UWBMYHMXKLBRSW-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP C[NH+]1CCOC[C@H]1CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000624336596 367838142 /nfs/dbraw/zinc/83/81/42/367838142.db2.gz UWBMYHMXKLBRSW-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP O[C@H]1CC[N@H+](CC[NH2+][C@H]2CCc3cccnc3CC2)C1 ZINC000624340091 367840416 /nfs/dbraw/zinc/84/04/16/367840416.db2.gz XXNKMGFDSIXPCZ-GJZGRUSLSA-N 2 2 275.396 0.985 20 0 CCADLP O[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCc3cccnc3CC2)C1 ZINC000624340091 367840424 /nfs/dbraw/zinc/84/04/24/367840424.db2.gz XXNKMGFDSIXPCZ-GJZGRUSLSA-N 2 2 275.396 0.985 20 0 CCADLP Cc1cc(NCC[N@@H+]2CC[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC000624680549 367953571 /nfs/dbraw/zinc/95/35/71/367953571.db2.gz YFYJULWVACIDBZ-GFCCVEGCSA-N 2 2 262.357 0.563 20 0 CCADLP Cc1cc(NCC[N@H+]2CC[C@@H](O)C2)nc(C2CC2)[nH+]1 ZINC000624680549 367953579 /nfs/dbraw/zinc/95/35/79/367953579.db2.gz YFYJULWVACIDBZ-GFCCVEGCSA-N 2 2 262.357 0.563 20 0 CCADLP C[C@H]([C@H]1CCC[NH2+]C1)[NH+]1CCN(c2nncn2C)CC1 ZINC000656199692 412763875 /nfs/dbraw/zinc/76/38/75/412763875.db2.gz AYFWITWEJZWAIL-OLZOCXBDSA-N 2 2 278.404 0.325 20 0 CCADLP Cn1cc(CC[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)nn1 ZINC000625263292 368123465 /nfs/dbraw/zinc/12/34/65/368123465.db2.gz CUZYKVJOBGYYHO-NSHDSACASA-N 2 2 260.345 0.581 20 0 CCADLP Cn1cc(CC[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)nn1 ZINC000625263292 368123469 /nfs/dbraw/zinc/12/34/69/368123469.db2.gz CUZYKVJOBGYYHO-NSHDSACASA-N 2 2 260.345 0.581 20 0 CCADLP CC1(C[NH+]2CCC([NH+]3CCOCC3)CC2)COC1 ZINC000625543938 368237310 /nfs/dbraw/zinc/23/73/10/368237310.db2.gz IENVAANDSOVGLM-UHFFFAOYSA-N 2 2 254.374 0.820 20 0 CCADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCc2cn(C)nn2)CC1 ZINC000625441879 368202322 /nfs/dbraw/zinc/20/23/22/368202322.db2.gz DVNIHGFFNQXZLY-CYBMUJFWSA-N 2 2 293.415 0.543 20 0 CCADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCc2cn(C)nn2)CC1 ZINC000625441879 368202331 /nfs/dbraw/zinc/20/23/31/368202331.db2.gz DVNIHGFFNQXZLY-CYBMUJFWSA-N 2 2 293.415 0.543 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@]2(CO)CCCC(C)(C)C2)CC1 ZINC000625836303 368341823 /nfs/dbraw/zinc/34/18/23/368341823.db2.gz ZIRQCODPMWGBTH-MRXNPFEDSA-N 2 2 297.443 0.681 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)NCCOCCC[NH3+] ZINC000625874121 368354057 /nfs/dbraw/zinc/35/40/57/368354057.db2.gz RIXXCYDGUPSBLN-UHFFFAOYSA-N 2 2 252.318 0.299 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000626081493 368432739 /nfs/dbraw/zinc/43/27/39/368432739.db2.gz GAJMBGRPUIKGDZ-CYBMUJFWSA-N 2 2 278.356 0.125 20 0 CCADLP CCC1([NH+]2CCOCC2)CC[NH+](CCOCCO)CC1 ZINC000626088198 368436319 /nfs/dbraw/zinc/43/63/19/368436319.db2.gz OZZGKUNYMWUTPR-UHFFFAOYSA-N 2 2 286.416 0.572 20 0 CCADLP CCC1([NH+](C)C)CC[NH+](CCN2C(=O)N[C@@H](C)C2=O)CC1 ZINC000640015492 376192667 /nfs/dbraw/zinc/19/26/67/376192667.db2.gz KMFAISQZNHPASF-LBPRGKRZSA-N 2 2 296.415 0.733 20 0 CCADLP CC(=O)NC[C@@H]1CCCC[N@H+]1CCc1c[nH+]cn1C ZINC000626159387 368466765 /nfs/dbraw/zinc/46/67/65/368466765.db2.gz MBHKFKYARDRJQU-AWEZNQCLSA-N 2 2 264.373 0.953 20 0 CCADLP CC(=O)NC[C@@H]1CCCC[N@@H+]1CCc1c[nH+]cn1C ZINC000626159387 368466772 /nfs/dbraw/zinc/46/67/72/368466772.db2.gz MBHKFKYARDRJQU-AWEZNQCLSA-N 2 2 264.373 0.953 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)NCC[N@@H+]2CCOC[C@H]2C)C[NH2+]1 ZINC000626969822 368702238 /nfs/dbraw/zinc/70/22/38/368702238.db2.gz HATLCQQNQFSLNZ-JHJVBQTASA-N 2 2 284.404 0.147 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)NCC[N@H+]2CCOC[C@H]2C)C[NH2+]1 ZINC000626969822 368702243 /nfs/dbraw/zinc/70/22/43/368702243.db2.gz HATLCQQNQFSLNZ-JHJVBQTASA-N 2 2 284.404 0.147 20 0 CCADLP [NH3+]CCCOCCNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000627000580 368726810 /nfs/dbraw/zinc/72/68/10/368726810.db2.gz SPZXXOOSBHYIEH-UHFFFAOYSA-N 2 2 291.355 0.499 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)N[C@H]1CC[NH2+]C12CCC2 ZINC000626917874 368677411 /nfs/dbraw/zinc/67/74/11/368677411.db2.gz PETXOAGSKICUQF-LBPRGKRZSA-N 2 2 277.372 0.857 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000626934598 368686415 /nfs/dbraw/zinc/68/64/15/368686415.db2.gz JTIUPENHTHDHLD-RWMBFGLXSA-N 2 2 284.404 0.147 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCCNc1cccc[nH+]1 ZINC000626938185 368687069 /nfs/dbraw/zinc/68/70/69/368687069.db2.gz NQCFDCJPXFPTHO-NWDGAFQWSA-N 2 2 277.372 0.933 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C[NH2+]1 ZINC000627017062 368738540 /nfs/dbraw/zinc/73/85/40/368738540.db2.gz ZBAUWYQYDKRRQY-UTUOFQBUSA-N 2 2 277.372 0.638 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)[C@H]([NH3+])c1cscn1 ZINC000566852778 291441864 /nfs/dbraw/zinc/44/18/64/291441864.db2.gz PYVDADXPFYNHNV-LLVKDONJSA-N 2 2 279.369 0.854 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)NCC2([NH+]3CCOCC3)CC2)C[NH2+]1 ZINC000627021660 368743670 /nfs/dbraw/zinc/74/36/70/368743670.db2.gz ZLPHMVFRUPDGTD-OLZOCXBDSA-N 2 2 296.415 0.291 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NCCOCCC[NH3+] ZINC000627052248 368757537 /nfs/dbraw/zinc/75/75/37/368757537.db2.gz MJDLFDYIFMTZHS-NSHDSACASA-N 2 2 283.376 0.629 20 0 CCADLP [NH3+]CCCOCCNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000627213758 368885409 /nfs/dbraw/zinc/88/54/09/368885409.db2.gz QHZXMVZXAQEBOI-UHFFFAOYSA-N 2 2 295.387 0.595 20 0 CCADLP C[C@H](CC(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1)n1cc[nH+]c1 ZINC000627271273 368938151 /nfs/dbraw/zinc/93/81/51/368938151.db2.gz TXHLUBLJYNQKDV-RDBSUJKOSA-N 2 2 292.383 0.502 20 0 CCADLP C[C@H](CC(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1)n1cc[nH+]c1 ZINC000627271273 368938154 /nfs/dbraw/zinc/93/81/54/368938154.db2.gz TXHLUBLJYNQKDV-RDBSUJKOSA-N 2 2 292.383 0.502 20 0 CCADLP CN(C)[C@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)c1c[nH+]cn1C ZINC000627655289 369068056 /nfs/dbraw/zinc/06/80/56/369068056.db2.gz KRFRNUCCGMKFSW-UNJBNNCHSA-N 2 2 291.399 0.041 20 0 CCADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000627618278 369055530 /nfs/dbraw/zinc/05/55/30/369055530.db2.gz MVEBZTGVUOBRSM-ZDUSSCGKSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@H](CC(=O)NC1CC([NH+]2CCOCC2)C1)n1cc[nH+]c1 ZINC000627942332 369142636 /nfs/dbraw/zinc/14/26/36/369142636.db2.gz OYTSYYKLYPMXRE-IYXRBSQSSA-N 2 2 292.383 0.814 20 0 CCADLP CNc1cnc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cn1 ZINC000628061371 369172554 /nfs/dbraw/zinc/17/25/54/369172554.db2.gz HYUVFJANICAXCA-UHFFFAOYSA-N 2 2 294.403 0.132 20 0 CCADLP CNc1cnc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000628061371 369172557 /nfs/dbraw/zinc/17/25/57/369172557.db2.gz HYUVFJANICAXCA-UHFFFAOYSA-N 2 2 294.403 0.132 20 0 CCADLP COC(=O)[C@H]1CN(c2nc[nH+]c(N)c2Cl)CC[N@H+](C)C1 ZINC000413490847 284116311 /nfs/dbraw/zinc/11/63/11/284116311.db2.gz AOBAADBWOLGLJM-MRVPVSSYSA-N 2 2 299.762 0.253 20 0 CCADLP COC(=O)[C@H]1CN(c2nc[nH+]c(N)c2Cl)CC[N@@H+](C)C1 ZINC000413490847 284116314 /nfs/dbraw/zinc/11/63/14/284116314.db2.gz AOBAADBWOLGLJM-MRVPVSSYSA-N 2 2 299.762 0.253 20 0 CCADLP O[C@H]1C[NH+](Cc2cc(-n3cc[nH+]c3)cs2)C[C@@H]1O ZINC000628414783 369260811 /nfs/dbraw/zinc/26/08/11/369260811.db2.gz LWUNREGMXXTEAU-RYUDHWBXSA-N 2 2 265.338 0.471 20 0 CCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H]1COCC[N@H+]1C)C2 ZINC000628915509 369454758 /nfs/dbraw/zinc/45/47/58/369454758.db2.gz XBWWSECQCFLMNJ-GXTWGEPZSA-N 2 2 292.383 0.201 20 0 CCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H]1COCC[N@@H+]1C)C2 ZINC000628915509 369454763 /nfs/dbraw/zinc/45/47/63/369454763.db2.gz XBWWSECQCFLMNJ-GXTWGEPZSA-N 2 2 292.383 0.201 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NC[C@H]2COCC[NH+]2C)CC[N@@H+]1C ZINC000628917102 369456063 /nfs/dbraw/zinc/45/60/63/369456063.db2.gz AHEMVESKTMLFAX-AVGNSLFASA-N 2 2 269.389 0.164 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NC[C@H]2COCC[NH+]2C)CC[N@H+]1C ZINC000628917102 369456066 /nfs/dbraw/zinc/45/60/66/369456066.db2.gz AHEMVESKTMLFAX-AVGNSLFASA-N 2 2 269.389 0.164 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NC[C@H]2COCC[N@@H+]2C)CC[NH+]1C ZINC000628917102 369456070 /nfs/dbraw/zinc/45/60/70/369456070.db2.gz AHEMVESKTMLFAX-AVGNSLFASA-N 2 2 269.389 0.164 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NC[C@H]2COCC[N@H+]2C)CC[NH+]1C ZINC000628917102 369456076 /nfs/dbraw/zinc/45/60/76/369456076.db2.gz AHEMVESKTMLFAX-AVGNSLFASA-N 2 2 269.389 0.164 20 0 CCADLP CCn1cc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cn1 ZINC000330884663 203350222 /nfs/dbraw/zinc/35/02/22/203350222.db2.gz PRMHTLFUDMYLTP-DGCLKSJQSA-N 2 2 252.362 0.620 20 0 CCADLP CCn1cc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cn1 ZINC000330884663 203350224 /nfs/dbraw/zinc/35/02/24/203350224.db2.gz PRMHTLFUDMYLTP-DGCLKSJQSA-N 2 2 252.362 0.620 20 0 CCADLP OCc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1F ZINC000629569393 369713646 /nfs/dbraw/zinc/71/36/46/369713646.db2.gz QBENQIYMIIYHDW-CQSZACIVSA-N 2 2 282.359 0.864 20 0 CCADLP Cc1c[nH+]ccc1CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629570717 369715992 /nfs/dbraw/zinc/71/59/92/369715992.db2.gz BSVBQSBPTLYGCN-HNNXBMFYSA-N 3 2 263.385 0.979 20 0 CCADLP c1cnc(N2CC[NH+]([C@@H]3CCC[NH2+]CC3)CC2)nn1 ZINC000629512584 369688050 /nfs/dbraw/zinc/68/80/50/369688050.db2.gz HTIMZIMIQVBHJG-GFCCVEGCSA-N 2 2 262.361 0.136 20 0 CCADLP CC(C)Cc1noc(C[N@H+](C)CCOCC[NH3+])n1 ZINC000629578928 369721358 /nfs/dbraw/zinc/72/13/58/369721358.db2.gz HLYVTWADEBXKQY-UHFFFAOYSA-N 2 2 256.350 0.675 20 0 CCADLP CC(C)Cc1noc(C[N@@H+](C)CCOCC[NH3+])n1 ZINC000629578928 369721360 /nfs/dbraw/zinc/72/13/60/369721360.db2.gz HLYVTWADEBXKQY-UHFFFAOYSA-N 2 2 256.350 0.675 20 0 CCADLP CCO[C@@H]1C[N@H+](CC(=O)NCC(C)(C)C)C[C@H]1C[NH3+] ZINC000629537439 369695800 /nfs/dbraw/zinc/69/58/00/369695800.db2.gz KKIMEGRUGJKNOP-VXGBXAGGSA-N 2 2 271.405 0.444 20 0 CCADLP CCO[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]1C[NH3+] ZINC000629537439 369695805 /nfs/dbraw/zinc/69/58/05/369695805.db2.gz KKIMEGRUGJKNOP-VXGBXAGGSA-N 2 2 271.405 0.444 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000629547902 369700755 /nfs/dbraw/zinc/70/07/55/369700755.db2.gz LUDAMJFNGKIUHE-WHOHXGKFSA-N 2 2 260.403 0.682 20 0 CCADLP C[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1[NH+]1CCOCC1 ZINC000276538909 193372672 /nfs/dbraw/zinc/37/26/72/193372672.db2.gz FZZKQNMNEGLIDU-ZJRBINPNSA-N 2 2 290.367 0.602 20 0 CCADLP CCOCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629593814 369732954 /nfs/dbraw/zinc/73/29/54/369732954.db2.gz KOQLAMPVXVUSEN-BMFZPTHFSA-N 2 2 297.443 0.849 20 0 CCADLP CCOCCCNC(=O)[C@@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629593814 369732956 /nfs/dbraw/zinc/73/29/56/369732956.db2.gz KOQLAMPVXVUSEN-BMFZPTHFSA-N 2 2 297.443 0.849 20 0 CCADLP CCOC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000629601901 369736160 /nfs/dbraw/zinc/73/61/60/369736160.db2.gz OHAVVAYUSIMYHZ-ZIAGYGMSSA-N 2 2 256.390 0.990 20 0 CCADLP CCOC[C@H](O)C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000629601901 369736162 /nfs/dbraw/zinc/73/61/62/369736162.db2.gz OHAVVAYUSIMYHZ-ZIAGYGMSSA-N 2 2 256.390 0.990 20 0 CCADLP CC(C)[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+]1CCOCC1 ZINC000629945336 369847983 /nfs/dbraw/zinc/84/79/83/369847983.db2.gz LXSFKIRBKIPSOG-HNNXBMFYSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH+]1CCOCC1 ZINC000629945336 369847987 /nfs/dbraw/zinc/84/79/87/369847987.db2.gz LXSFKIRBKIPSOG-HNNXBMFYSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[NH+](C)C1CCC1 ZINC000630016908 369897763 /nfs/dbraw/zinc/89/77/63/369897763.db2.gz ODQHAGYCRFEEAW-AWEZNQCLSA-N 3 2 298.475 0.859 20 0 CCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[NH+](C)C1CCC1 ZINC000630016908 369897768 /nfs/dbraw/zinc/89/77/68/369897768.db2.gz ODQHAGYCRFEEAW-AWEZNQCLSA-N 3 2 298.475 0.859 20 0 CCADLP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)C[N@@H+](C)C1CCC1 ZINC000630016908 369897778 /nfs/dbraw/zinc/89/77/78/369897778.db2.gz ODQHAGYCRFEEAW-AWEZNQCLSA-N 3 2 298.475 0.859 20 0 CCADLP CO[C@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)[C@@](C)(C[NH3+])C1 ZINC000630371579 370073319 /nfs/dbraw/zinc/07/33/19/370073319.db2.gz ACXTYQCRMXYQBJ-IUODEOHRSA-N 2 2 288.351 0.913 20 0 CCADLP COc1c(N)[nH+]cnc1N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000630385583 370088238 /nfs/dbraw/zinc/08/82/38/370088238.db2.gz MDDMDCKPJVKTRJ-ZJUUUORDSA-N 2 2 263.345 0.646 20 0 CCADLP COc1c(N)nc[nH+]c1N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000630385583 370088242 /nfs/dbraw/zinc/08/82/42/370088242.db2.gz MDDMDCKPJVKTRJ-ZJUUUORDSA-N 2 2 263.345 0.646 20 0 CCADLP C[NH2+][C@H](C)c1cn(CC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000630611727 370209841 /nfs/dbraw/zinc/20/98/41/370209841.db2.gz JNQNNXUBCDXRJO-GFCCVEGCSA-N 3 2 268.409 0.442 20 0 CCADLP C[NH2+][C@H](C)c1cn(CC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000630611727 370209843 /nfs/dbraw/zinc/20/98/43/370209843.db2.gz JNQNNXUBCDXRJO-GFCCVEGCSA-N 3 2 268.409 0.442 20 0 CCADLP C[C@H](CO)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631050234 370367830 /nfs/dbraw/zinc/36/78/30/370367830.db2.gz WKPSFKCHZWYJMK-CQSZACIVSA-N 2 2 294.395 0.868 20 0 CCADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)C1 ZINC000631045258 370368564 /nfs/dbraw/zinc/36/85/64/370368564.db2.gz TVKKXNPCBJJGNS-KGLIPLIRSA-N 2 2 293.415 0.746 20 0 CCADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)C1 ZINC000631045258 370368570 /nfs/dbraw/zinc/36/85/70/370368570.db2.gz TVKKXNPCBJJGNS-KGLIPLIRSA-N 2 2 293.415 0.746 20 0 CCADLP Cc1nc(NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)nc(N)[nH+]1 ZINC000631051649 370370113 /nfs/dbraw/zinc/37/01/13/370370113.db2.gz MTHHFUCBODQBCT-NXEZZACHSA-N 2 2 294.403 0.314 20 0 CCADLP Cc1nc(NCC[N@H+]2CCC[C@H](C)C2)nc(N)[nH+]1 ZINC000631060933 370371326 /nfs/dbraw/zinc/37/13/26/370371326.db2.gz ANIHKXIFJCXTHU-VIFPVBQESA-N 2 2 250.350 0.158 20 0 CCADLP Cc1nc(NCC[N@@H+]2CCC[C@H](C)C2)nc(N)[nH+]1 ZINC000631060933 370371330 /nfs/dbraw/zinc/37/13/30/370371330.db2.gz ANIHKXIFJCXTHU-VIFPVBQESA-N 2 2 250.350 0.158 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC[N@@H+]1C ZINC000630934627 370329562 /nfs/dbraw/zinc/32/95/62/370329562.db2.gz AIXWUWZESZMGNJ-CBBWQLFWSA-N 2 2 297.443 0.942 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC[N@H+]1C ZINC000630934627 370329566 /nfs/dbraw/zinc/32/95/66/370329566.db2.gz AIXWUWZESZMGNJ-CBBWQLFWSA-N 2 2 297.443 0.942 20 0 CCADLP CC[N@@H+]1C[C@H](C)N(c2nc(C)[nH+]c(N)n2)C[C@@H]1C ZINC000631187098 370415710 /nfs/dbraw/zinc/41/57/10/370415710.db2.gz YVBURKYIBFYSAX-IUCAKERBSA-N 2 2 250.350 0.511 20 0 CCADLP CC[N@H+]1C[C@H](C)N(c2nc(C)[nH+]c(N)n2)C[C@@H]1C ZINC000631187098 370415714 /nfs/dbraw/zinc/41/57/14/370415714.db2.gz YVBURKYIBFYSAX-IUCAKERBSA-N 2 2 250.350 0.511 20 0 CCADLP O[C@@H]1CCOC[C@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000631272375 370447558 /nfs/dbraw/zinc/44/75/58/370447558.db2.gz VVXPXRZHVOTKAA-HZPDHXFCSA-N 2 2 291.395 0.785 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@](O)(CC)C2)CC1 ZINC000640030322 376201021 /nfs/dbraw/zinc/20/10/21/376201021.db2.gz GLWBVLZTEGYQGG-GDBMZVCRSA-N 2 2 297.443 0.776 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@](O)(CC)C2)CC1 ZINC000640030322 376201029 /nfs/dbraw/zinc/20/10/29/376201029.db2.gz GLWBVLZTEGYQGG-GDBMZVCRSA-N 2 2 297.443 0.776 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000631582182 370599198 /nfs/dbraw/zinc/59/91/98/370599198.db2.gz YKQVEYXIFNXJQA-XQLPTFJDSA-N 2 2 279.428 0.779 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000631582182 370599202 /nfs/dbraw/zinc/59/92/02/370599202.db2.gz YKQVEYXIFNXJQA-XQLPTFJDSA-N 2 2 279.428 0.779 20 0 CCADLP Cc1nc(N2CC[NH+](CCc3cnccn3)CC2)cc[nH+]1 ZINC000631534143 370581352 /nfs/dbraw/zinc/58/13/52/370581352.db2.gz KCOOLDKTSDBBOD-UHFFFAOYSA-N 2 2 284.367 0.940 20 0 CCADLP CC[C@@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000567776044 291512874 /nfs/dbraw/zinc/51/28/74/291512874.db2.gz LMJZANYQMTVMLU-GFCCVEGCSA-N 2 2 278.356 0.272 20 0 CCADLP COC[C@]1(C(=O)NCc2ccn3cc[nH+]c3c2)CC[NH2+]C1 ZINC000567818685 291518586 /nfs/dbraw/zinc/51/85/86/291518586.db2.gz PLRLIVCAMRFRSC-HNNXBMFYSA-N 2 2 288.351 0.577 20 0 CCADLP O[C@H](CN1CCOCC1)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000331977492 204355055 /nfs/dbraw/zinc/35/50/55/204355055.db2.gz XNFOKAWMYBWTPM-AWEZNQCLSA-N 2 2 294.399 0.282 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000633081204 371388282 /nfs/dbraw/zinc/38/82/82/371388282.db2.gz HWYWNUZCRQXRRY-SNVBAGLBSA-N 2 2 251.334 0.645 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000633081204 371388285 /nfs/dbraw/zinc/38/82/85/371388285.db2.gz HWYWNUZCRQXRRY-SNVBAGLBSA-N 2 2 251.334 0.645 20 0 CCADLP Cc1oc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1CO ZINC000633616042 371631767 /nfs/dbraw/zinc/63/17/67/371631767.db2.gz CNBLAHYZKMIRIZ-UHFFFAOYSA-N 2 2 297.399 0.694 20 0 CCADLP Cc1oc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1CO ZINC000633616042 371631770 /nfs/dbraw/zinc/63/17/70/371631770.db2.gz CNBLAHYZKMIRIZ-UHFFFAOYSA-N 2 2 297.399 0.694 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1)[NH+](C)C ZINC000633897598 371771004 /nfs/dbraw/zinc/77/10/04/371771004.db2.gz ZKDVOLCKMGFXGP-ZDUSSCGKSA-N 2 2 291.395 0.987 20 0 CCADLP Cc1[nH]c2ccc(-n3cc(CC[C@H](O)C[NH3+])nn3)cc2[nH+]1 ZINC000656439145 412793472 /nfs/dbraw/zinc/79/34/72/412793472.db2.gz KMQRXVPCWXIPSH-LBPRGKRZSA-N 2 2 286.339 0.704 20 0 CCADLP Cc1[nH]c2cc(-n3cc(CC[C@H](O)C[NH3+])nn3)ccc2[nH+]1 ZINC000656439145 412793477 /nfs/dbraw/zinc/79/34/77/412793477.db2.gz KMQRXVPCWXIPSH-LBPRGKRZSA-N 2 2 286.339 0.704 20 0 CCADLP CN1CC[NH+](CCn2cc(C[NH2+]C3CCCC3)nn2)CC1 ZINC000656438448 412793640 /nfs/dbraw/zinc/79/36/40/412793640.db2.gz XTYJBVPKKUYNSN-UHFFFAOYSA-N 2 2 292.431 0.558 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640044639 376209548 /nfs/dbraw/zinc/20/95/48/376209548.db2.gz WEVDSLVAZVOYMB-SDDRHHMPSA-N 2 2 298.349 0.790 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640044639 376209552 /nfs/dbraw/zinc/20/95/52/376209552.db2.gz WEVDSLVAZVOYMB-SDDRHHMPSA-N 2 2 298.349 0.790 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640044639 376209553 /nfs/dbraw/zinc/20/95/53/376209553.db2.gz WEVDSLVAZVOYMB-SDDRHHMPSA-N 2 2 298.349 0.790 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640044639 376209555 /nfs/dbraw/zinc/20/95/55/376209555.db2.gz WEVDSLVAZVOYMB-SDDRHHMPSA-N 2 2 298.349 0.790 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1)CC1(O)CCOCC1 ZINC000634704229 372149464 /nfs/dbraw/zinc/14/94/64/372149464.db2.gz IGPHJMJTIAYPQA-HUUCEWRRSA-N 2 2 298.427 0.353 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)CC1(O)CCOCC1 ZINC000634704229 372149470 /nfs/dbraw/zinc/14/94/70/372149470.db2.gz IGPHJMJTIAYPQA-HUUCEWRRSA-N 2 2 298.427 0.353 20 0 CCADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1COCC[C@H]1O ZINC000634729547 372174892 /nfs/dbraw/zinc/17/48/92/372174892.db2.gz OHCDWILUZJOQHD-ARFHVFGLSA-N 2 2 294.395 0.219 20 0 CCADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1COCC[C@H]1O ZINC000634729547 372174896 /nfs/dbraw/zinc/17/48/96/372174896.db2.gz OHCDWILUZJOQHD-ARFHVFGLSA-N 2 2 294.395 0.219 20 0 CCADLP C[C@@H](O)[C@H]1CCN(c2cc(N3CC[NH2+]CC3)nc[nH+]2)C1 ZINC000634807583 372247128 /nfs/dbraw/zinc/24/71/28/372247128.db2.gz UBDBVKQIXMPIPD-NEPJUHHUSA-N 2 2 277.372 0.093 20 0 CCADLP O=C1C[C@H]([C@H]2CCCC[N@@H+]2CC23CC(C2)C[NH2+]3)CN1 ZINC000634992920 372327396 /nfs/dbraw/zinc/32/73/96/372327396.db2.gz FWWKRENKVOCCKH-SBEAFCBVSA-N 2 2 263.385 0.729 20 0 CCADLP O=C1C[C@H]([C@H]2CCCC[N@H+]2CC23CC(C2)C[NH2+]3)CN1 ZINC000634992920 372327401 /nfs/dbraw/zinc/32/74/01/372327401.db2.gz FWWKRENKVOCCKH-SBEAFCBVSA-N 2 2 263.385 0.729 20 0 CCADLP Cc1ncsc1C[NH+]1CCC([NH2+]CCO)CC1 ZINC000635001258 372337084 /nfs/dbraw/zinc/33/70/84/372337084.db2.gz MDEVGGRYOWJYMX-UHFFFAOYSA-N 2 2 255.387 0.998 20 0 CCADLP CCc1c[nH]c(CC(=O)NCC[NH+](CC)CC)[nH+]1 ZINC000635057962 372358538 /nfs/dbraw/zinc/35/85/38/372358538.db2.gz HORKMLLYAMHSJT-UHFFFAOYSA-N 2 2 252.362 0.973 20 0 CCADLP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635112027 372375814 /nfs/dbraw/zinc/37/58/14/372375814.db2.gz OPQBCWYHMJEDPF-NXEZZACHSA-N 2 2 250.346 0.970 20 0 CCADLP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635112027 372375817 /nfs/dbraw/zinc/37/58/17/372375817.db2.gz OPQBCWYHMJEDPF-NXEZZACHSA-N 2 2 250.346 0.970 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635127740 372384544 /nfs/dbraw/zinc/38/45/44/372384544.db2.gz UWWWMBCGKBCWMT-LLVKDONJSA-N 2 2 250.346 0.720 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635127740 372384551 /nfs/dbraw/zinc/38/45/51/372384551.db2.gz UWWWMBCGKBCWMT-LLVKDONJSA-N 2 2 250.346 0.720 20 0 CCADLP C[C@H](C(=O)NCCc1cn2ccccc2[nH+]1)[NH+](C)C ZINC000635173020 372402792 /nfs/dbraw/zinc/40/27/92/372402792.db2.gz ITBCIIXAEAWPTJ-LLVKDONJSA-N 2 2 260.341 0.943 20 0 CCADLP C[C@H](C(=O)NCCCCN1CC[NH+](C)CC1)[NH+](C)C ZINC000635277963 372443948 /nfs/dbraw/zinc/44/39/48/372443948.db2.gz LFPNDYXUBSMCKQ-CYBMUJFWSA-N 2 2 270.421 0.080 20 0 CCADLP C[C@H](C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)[NH+](C)C ZINC000635495975 372561137 /nfs/dbraw/zinc/56/11/37/372561137.db2.gz PDHFKSDNEHIUOY-GFCCVEGCSA-N 2 2 295.387 0.104 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC[NH+]1C1CCCC1 ZINC000635500620 372564578 /nfs/dbraw/zinc/56/45/78/372564578.db2.gz HKPFWTJUAYNPSS-UKRRQHHQSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC[NH+]1C1CCCC1 ZINC000635500620 372564584 /nfs/dbraw/zinc/56/45/84/372564584.db2.gz HKPFWTJUAYNPSS-UKRRQHHQSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635500620 372564593 /nfs/dbraw/zinc/56/45/93/372564593.db2.gz HKPFWTJUAYNPSS-UKRRQHHQSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635500620 372564601 /nfs/dbraw/zinc/56/46/01/372564601.db2.gz HKPFWTJUAYNPSS-UKRRQHHQSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000635526163 372588535 /nfs/dbraw/zinc/58/85/35/372588535.db2.gz HOZUATKUZRFBDU-VXGBXAGGSA-N 2 2 284.404 0.228 20 0 CCADLP C[C@H](C(=O)Nc1ccn(-c2cc[nH+]cc2)n1)[NH+](C)C ZINC000635566645 372639700 /nfs/dbraw/zinc/63/97/00/372639700.db2.gz ZQJFZKJOMBNLNP-SNVBAGLBSA-N 2 2 259.313 0.578 20 0 CCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CCC[NH2+]CC1 ZINC000333143485 205067488 /nfs/dbraw/zinc/06/74/88/205067488.db2.gz DIIJLCFEBMZHQA-ZDUSSCGKSA-N 2 2 289.383 0.665 20 0 CCADLP CC(C)(CNC(=O)N[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000333157096 205077725 /nfs/dbraw/zinc/07/77/25/205077725.db2.gz FVPHCZKVXRBIOD-LBPRGKRZSA-N 2 2 284.404 0.148 20 0 CCADLP C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H]1C[N@H+](C)CCO1 ZINC000635713459 372801499 /nfs/dbraw/zinc/80/14/99/372801499.db2.gz GJAMPAFDAIEZDU-SBFPOUOMSA-N 2 2 278.356 0.349 20 0 CCADLP C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H]1C[N@@H+](C)CCO1 ZINC000635713459 372801512 /nfs/dbraw/zinc/80/15/12/372801512.db2.gz GJAMPAFDAIEZDU-SBFPOUOMSA-N 2 2 278.356 0.349 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)[nH+]1 ZINC000635712450 372802613 /nfs/dbraw/zinc/80/26/13/372802613.db2.gz PEIJITWGESAETI-CMPLNLGQSA-N 2 2 280.372 0.350 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)[nH+]1 ZINC000635712450 372802620 /nfs/dbraw/zinc/80/26/20/372802620.db2.gz PEIJITWGESAETI-CMPLNLGQSA-N 2 2 280.372 0.350 20 0 CCADLP Cc1cc(N2CC[C@H]([NH2+][C@@H](C)[C@@H]3CCC[NH2+]3)C2=O)n(C)n1 ZINC000333277788 205177302 /nfs/dbraw/zinc/17/73/02/205177302.db2.gz LVCKLBMNJXCRKD-AVGNSLFASA-N 2 2 291.399 0.564 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[N@H+](CCO)[C@H](C)C2)[nH+]1 ZINC000635823437 372961966 /nfs/dbraw/zinc/96/19/66/372961966.db2.gz NLIKYWCKXNYOLW-LLVKDONJSA-N 2 2 280.372 0.040 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)[nH+]1 ZINC000635823437 372961972 /nfs/dbraw/zinc/96/19/72/372961972.db2.gz NLIKYWCKXNYOLW-LLVKDONJSA-N 2 2 280.372 0.040 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)n1C ZINC000333415790 205300552 /nfs/dbraw/zinc/30/05/52/205300552.db2.gz IAYMIYUUPRULDP-IUODEOHRSA-N 2 2 294.399 0.914 20 0 CCADLP C[C@H](C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)[NH+](C)C ZINC000635920574 373106619 /nfs/dbraw/zinc/10/66/19/373106619.db2.gz TVENLPSZXBQVHJ-YNEHKIRRSA-N 2 2 269.389 0.258 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC000635920223 373107714 /nfs/dbraw/zinc/10/77/14/373107714.db2.gz RQGBAFWNDPROJT-KGLIPLIRSA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+](C)CC1(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000635992081 373218542 /nfs/dbraw/zinc/21/85/42/373218542.db2.gz TZSDJFXVGFBLEK-BETUJISGSA-N 2 2 281.400 0.308 20 0 CCADLP C[NH+](C)CC1(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000635992081 373218550 /nfs/dbraw/zinc/21/85/50/373218550.db2.gz TZSDJFXVGFBLEK-BETUJISGSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@H](C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC000635976612 373191050 /nfs/dbraw/zinc/19/10/50/373191050.db2.gz XBTOFSZSQABDOG-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]21 ZINC000635997776 373228475 /nfs/dbraw/zinc/22/84/75/373228475.db2.gz INQYYNWPPLECGC-YFVNTRNASA-N 2 2 260.341 0.532 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]21 ZINC000635997776 373228479 /nfs/dbraw/zinc/22/84/79/373228479.db2.gz INQYYNWPPLECGC-YFVNTRNASA-N 2 2 260.341 0.532 20 0 CCADLP CN(CC(C)(C)[NH3+])C(=O)NCCCn1cc[nH+]c1 ZINC000656473457 412810216 /nfs/dbraw/zinc/81/02/16/412810216.db2.gz AUTQAQCODAOOCJ-UHFFFAOYSA-N 2 2 253.350 0.652 20 0 CCADLP Cc1ccc2[nH+]cc(C[NH2+]CCS(=O)(=O)N(C)C)n2c1 ZINC000289673451 197441550 /nfs/dbraw/zinc/44/15/50/197441550.db2.gz RRKPCWVSVGIAPV-UHFFFAOYSA-N 2 2 296.396 0.624 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000568244278 291572771 /nfs/dbraw/zinc/57/27/71/291572771.db2.gz HKPDEPAZSUVBSV-NSHDSACASA-N 2 2 293.371 0.226 20 0 CCADLP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636580954 373655862 /nfs/dbraw/zinc/65/58/62/373655862.db2.gz QXBFGSIZJLAELN-NWDGAFQWSA-N 2 2 289.383 0.591 20 0 CCADLP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636580954 373655874 /nfs/dbraw/zinc/65/58/74/373655874.db2.gz QXBFGSIZJLAELN-NWDGAFQWSA-N 2 2 289.383 0.591 20 0 CCADLP C[NH+](C)C1(CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)CCCC1 ZINC000636466125 373612010 /nfs/dbraw/zinc/61/20/10/373612010.db2.gz WYJQXBKIUYPLLN-GFCCVEGCSA-N 2 2 291.399 0.981 20 0 CCADLP Cc1nccnc1N1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000656507413 412813938 /nfs/dbraw/zinc/81/39/38/412813938.db2.gz GBPLEMPFCSYDRS-UHFFFAOYSA-N 2 2 286.383 0.883 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC=CC3)C2)CC1 ZINC000636791773 373760338 /nfs/dbraw/zinc/76/03/38/373760338.db2.gz LPMZGASEIKGUQS-ZDUSSCGKSA-N 2 2 278.400 0.736 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC=CC3)C2)CC1 ZINC000636791773 373760343 /nfs/dbraw/zinc/76/03/43/373760343.db2.gz LPMZGASEIKGUQS-ZDUSSCGKSA-N 2 2 278.400 0.736 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000568270978 291578279 /nfs/dbraw/zinc/57/82/79/291578279.db2.gz LLZYDMHMQDSHSV-MNOVXSKESA-N 2 2 250.346 0.767 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@H]2C[C@@H](O)C2)CC1 ZINC000636985407 373856240 /nfs/dbraw/zinc/85/62/40/373856240.db2.gz BMQBZOXKUUSNEJ-XBXGTLAGSA-N 2 2 298.431 0.083 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637144506 373953751 /nfs/dbraw/zinc/95/37/51/373953751.db2.gz BKBBXUNIAHMDEW-STQMWFEESA-N 2 2 291.399 0.981 20 0 CCADLP CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637144506 373953756 /nfs/dbraw/zinc/95/37/56/373953756.db2.gz BKBBXUNIAHMDEW-STQMWFEESA-N 2 2 291.399 0.981 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)c2[nH+]ccn21 ZINC000637197276 373996364 /nfs/dbraw/zinc/99/63/64/373996364.db2.gz HVFACGSJEOIQGD-IJLUTSLNSA-N 2 2 293.371 0.255 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)c2[nH+]ccn21 ZINC000637197276 373996371 /nfs/dbraw/zinc/99/63/71/373996371.db2.gz HVFACGSJEOIQGD-IJLUTSLNSA-N 2 2 293.371 0.255 20 0 CCADLP CC[N@@H+]1CCCN(C(=O)NC[C@H]2COCC[NH+]2C)CC1 ZINC000637443167 374165120 /nfs/dbraw/zinc/16/51/20/374165120.db2.gz KUTKQYJDYJBRMB-ZDUSSCGKSA-N 2 2 284.404 0.054 20 0 CCADLP CC[N@H+]1CCCN(C(=O)NC[C@H]2COCC[NH+]2C)CC1 ZINC000637443167 374165133 /nfs/dbraw/zinc/16/51/33/374165133.db2.gz KUTKQYJDYJBRMB-ZDUSSCGKSA-N 2 2 284.404 0.054 20 0 CCADLP CC[NH+]1CCCN(C(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000637443167 374165142 /nfs/dbraw/zinc/16/51/42/374165142.db2.gz KUTKQYJDYJBRMB-ZDUSSCGKSA-N 2 2 284.404 0.054 20 0 CCADLP CC[NH+]1CCCN(C(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000637443167 374165154 /nfs/dbraw/zinc/16/51/54/374165154.db2.gz KUTKQYJDYJBRMB-ZDUSSCGKSA-N 2 2 284.404 0.054 20 0 CCADLP C[NH2+]CCCNC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000637807080 374337373 /nfs/dbraw/zinc/33/73/73/374337373.db2.gz ZNKZUFGJCPZEHW-NSHDSACASA-N 2 2 250.346 0.480 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[NH2+]C[C@@H]1C)CC2 ZINC000637819306 374356728 /nfs/dbraw/zinc/35/67/28/374356728.db2.gz SCHQCHKSNWKQEV-RYUDHWBXSA-N 2 2 262.357 0.574 20 0 CCADLP CC(C)CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000656542130 412821092 /nfs/dbraw/zinc/82/10/92/412821092.db2.gz APAUWBRYNJTUPE-UHFFFAOYSA-N 2 2 258.410 0.825 20 0 CCADLP CC(C)CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000656542130 412821094 /nfs/dbraw/zinc/82/10/94/412821094.db2.gz APAUWBRYNJTUPE-UHFFFAOYSA-N 2 2 258.410 0.825 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[NH2+][C@@H](C)C1)CC2 ZINC000637843018 374394445 /nfs/dbraw/zinc/39/44/45/374394445.db2.gz YYJGHSQVKHYKCB-CMPLNLGQSA-N 2 2 262.357 0.574 20 0 CCADLP Cc1cn2ccc(C(=O)N3CCO[C@@H]([C@H](C)[NH3+])C3)cc2[nH+]1 ZINC000637865458 374429326 /nfs/dbraw/zinc/42/93/26/374429326.db2.gz FNCUDXGJPWUUAF-WCQYABFASA-N 2 2 288.351 0.831 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)[nH+]1 ZINC000637866682 374430824 /nfs/dbraw/zinc/43/08/24/374430824.db2.gz PCPNJYQGOAEFOW-ONGXEEELSA-N 2 2 266.345 0.089 20 0 CCADLP COc1cccc(C[C@@H]([NH3+])C(=O)NCCn2cc[nH+]c2)c1 ZINC000638051848 374594085 /nfs/dbraw/zinc/59/40/85/374594085.db2.gz SUOUAXZJADCSIB-CQSZACIVSA-N 2 2 288.351 0.578 20 0 CCADLP C[C@H](CNC(=O)[C@]1(C)C[NH2+]CCO1)Cn1cc[nH+]c1 ZINC000638077210 374633537 /nfs/dbraw/zinc/63/35/37/374633537.db2.gz QRMRANDJKKOJFK-YPMHNXCESA-N 2 2 266.345 0.014 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)CCC1C[NH2+]C1 ZINC000638067180 374611744 /nfs/dbraw/zinc/61/17/44/374611744.db2.gz CAXSRNIWKQAVRO-UHFFFAOYSA-N 2 2 262.357 0.763 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000638090247 374650334 /nfs/dbraw/zinc/65/03/34/374650334.db2.gz GJSPKLWKYCQNKW-NSHDSACASA-N 2 2 281.356 0.497 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000638090247 374650342 /nfs/dbraw/zinc/65/03/42/374650342.db2.gz GJSPKLWKYCQNKW-NSHDSACASA-N 2 2 281.356 0.497 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000638101214 374665442 /nfs/dbraw/zinc/66/54/42/374665442.db2.gz OQIYSUUFJVTFCL-NWDGAFQWSA-N 2 2 295.383 0.886 20 0 CCADLP COc1cccc(C[C@H]([NH3+])C(=O)NCc2[nH+]ccn2C)c1 ZINC000638104404 374670394 /nfs/dbraw/zinc/67/03/94/374670394.db2.gz ZJUVXOFURNGYFG-ZDUSSCGKSA-N 2 2 288.351 0.615 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(N)nc2N)[C@@H](C)C1 ZINC000638113897 374680223 /nfs/dbraw/zinc/68/02/23/374680223.db2.gz QROYSBWIVUHTDC-CMPLNLGQSA-N 2 2 278.404 0.464 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(N)nc2N)[C@@H](C)C1 ZINC000638113897 374680231 /nfs/dbraw/zinc/68/02/31/374680231.db2.gz QROYSBWIVUHTDC-CMPLNLGQSA-N 2 2 278.404 0.464 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(N)nc2N)[C@@H](C)C1 ZINC000638113897 374680232 /nfs/dbraw/zinc/68/02/32/374680232.db2.gz QROYSBWIVUHTDC-CMPLNLGQSA-N 2 2 278.404 0.464 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(N)nc2N)[C@@H](C)C1 ZINC000638113897 374680238 /nfs/dbraw/zinc/68/02/38/374680238.db2.gz QROYSBWIVUHTDC-CMPLNLGQSA-N 2 2 278.404 0.464 20 0 CCADLP C[C@H](C(=O)Nc1ccc2[nH+]ccn2c1)N1CC[NH2+]CC1=O ZINC000638114912 374680867 /nfs/dbraw/zinc/68/08/67/374680867.db2.gz CSOXSMYLDXPYML-SNVBAGLBSA-N 2 2 287.323 0.093 20 0 CCADLP C[N@H+](CCc1ccccc1)CC(=O)NCC(F)(F)C[NH3+] ZINC000638173924 374758121 /nfs/dbraw/zinc/75/81/21/374758121.db2.gz HKRCNCQQWFWJHT-UHFFFAOYSA-N 2 2 285.338 0.871 20 0 CCADLP C[N@@H+](CCc1ccccc1)CC(=O)NCC(F)(F)C[NH3+] ZINC000638173924 374758123 /nfs/dbraw/zinc/75/81/23/374758123.db2.gz HKRCNCQQWFWJHT-UHFFFAOYSA-N 2 2 285.338 0.871 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)[nH+]1 ZINC000638209918 374797075 /nfs/dbraw/zinc/79/70/75/374797075.db2.gz FUKKOHXSAPRSSA-ONGXEEELSA-N 2 2 250.346 0.771 20 0 CCADLP C[C@@H]([NH3+])CNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000638210257 374798895 /nfs/dbraw/zinc/79/88/95/374798895.db2.gz GXNFTASAWMRHCC-SFYZADRCSA-N 2 2 264.251 0.840 20 0 CCADLP COCCc1ncc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000638186667 374769912 /nfs/dbraw/zinc/76/99/12/374769912.db2.gz XGJJFJLLUOBWAD-PHIMTYICSA-N 2 2 267.398 0.983 20 0 CCADLP COCCc1ncc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000638186667 374769920 /nfs/dbraw/zinc/76/99/20/374769920.db2.gz XGJJFJLLUOBWAD-PHIMTYICSA-N 2 2 267.398 0.983 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[NH2+][C@H](C)[C@@H]1C)CC2 ZINC000638207627 374793612 /nfs/dbraw/zinc/79/36/12/374793612.db2.gz QJFFERBYKZQRDT-FRRDWIJNSA-N 2 2 276.384 0.963 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000638254586 374850514 /nfs/dbraw/zinc/85/05/14/374850514.db2.gz UJSIWWXTGNKHFG-LBPRGKRZSA-N 2 2 254.309 0.421 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000638359458 374957461 /nfs/dbraw/zinc/95/74/61/374957461.db2.gz QNXRAPQETQPRPM-NSHDSACASA-N 2 2 294.380 0.709 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@@H]2CCCC[C@H]2[NH3+])[nH+]1 ZINC000638364472 374960894 /nfs/dbraw/zinc/96/08/94/374960894.db2.gz IOJMPCWHOSPMDK-GHMZBOCLSA-N 2 2 250.346 0.901 20 0 CCADLP Nc1nc(N)c(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c[nH+]1 ZINC000638368641 374964312 /nfs/dbraw/zinc/96/43/12/374964312.db2.gz LIRWYQVMSDXPFA-MNOVXSKESA-N 2 2 262.361 0.018 20 0 CCADLP Nc1nc(N)c(CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)c[nH+]1 ZINC000638368641 374964320 /nfs/dbraw/zinc/96/43/20/374964320.db2.gz LIRWYQVMSDXPFA-MNOVXSKESA-N 2 2 262.361 0.018 20 0 CCADLP CCc1c[nH]c(CC(=O)NCCC2(C[NH3+])CC2)[nH+]1 ZINC000638388567 374981903 /nfs/dbraw/zinc/98/19/03/374981903.db2.gz XVDIXOAAJXDCFX-UHFFFAOYSA-N 2 2 250.346 0.760 20 0 CCADLP Nc1c(F)cccc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000638412043 375007899 /nfs/dbraw/zinc/00/78/99/375007899.db2.gz MSWTXFMQAIWJCR-GFCCVEGCSA-N 2 2 267.348 0.954 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000638424964 375020978 /nfs/dbraw/zinc/02/09/78/375020978.db2.gz CYJRFDKUGHBLJC-UKRRQHHQSA-N 3 2 296.459 0.611 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000638424964 375020986 /nfs/dbraw/zinc/02/09/86/375020986.db2.gz CYJRFDKUGHBLJC-UKRRQHHQSA-N 3 2 296.459 0.611 20 0 CCADLP O=C(c1ccc(-c2c[nH]c[nH+]2)cc1)N1CCOC2(C[NH2+]C2)C1 ZINC000638440994 375042429 /nfs/dbraw/zinc/04/24/29/375042429.db2.gz ZCUWOSNAKOMFGD-UHFFFAOYSA-N 2 2 298.346 0.891 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc(N)nc2N)C1 ZINC000638567096 375141959 /nfs/dbraw/zinc/14/19/59/375141959.db2.gz VJJBEKQUODAQQZ-NSHDSACASA-N 2 2 278.404 0.512 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(N)nc2N)C1 ZINC000638567096 375141967 /nfs/dbraw/zinc/14/19/67/375141967.db2.gz VJJBEKQUODAQQZ-NSHDSACASA-N 2 2 278.404 0.512 20 0 CCADLP Cc1cc(NCCNC(=O)[C@H]2C[C@H]([NH3+])C2)nc(C(C)C)[nH+]1 ZINC000638583641 375164233 /nfs/dbraw/zinc/16/42/33/375164233.db2.gz DCSOLYDOWZKTFV-HAQNSBGRSA-N 2 2 291.399 0.596 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638590116 375169803 /nfs/dbraw/zinc/16/98/03/375169803.db2.gz PMEZTWNRCVTZFU-NSHDSACASA-N 2 2 292.445 0.244 20 0 CCADLP CCOC1CC(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)C1 ZINC000638596110 375178090 /nfs/dbraw/zinc/17/80/90/375178090.db2.gz GYFZWNCHEMGGEJ-MOKVOYLWSA-N 2 2 255.406 0.637 20 0 CCADLP CCOC1CC(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000638596110 375178096 /nfs/dbraw/zinc/17/80/96/375178096.db2.gz GYFZWNCHEMGGEJ-MOKVOYLWSA-N 2 2 255.406 0.637 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C[NH2+]1 ZINC000638652781 375256568 /nfs/dbraw/zinc/25/65/68/375256568.db2.gz UVUXBPQGBRPNKX-NFAWXSAZSA-N 2 2 295.427 0.887 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C[NH2+]1 ZINC000638652781 375256574 /nfs/dbraw/zinc/25/65/74/375256574.db2.gz UVUXBPQGBRPNKX-NFAWXSAZSA-N 2 2 295.427 0.887 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000638611772 375194459 /nfs/dbraw/zinc/19/44/59/375194459.db2.gz QFCYJDBPMOVPKJ-RYUDHWBXSA-N 2 2 269.389 0.211 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000638611772 375194467 /nfs/dbraw/zinc/19/44/67/375194467.db2.gz QFCYJDBPMOVPKJ-RYUDHWBXSA-N 2 2 269.389 0.211 20 0 CCADLP C[NH2+][C@@H](C)C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000638730852 375325360 /nfs/dbraw/zinc/32/53/60/375325360.db2.gz GHCUECWTDWFWSW-JSGCOSHPSA-N 2 2 292.383 0.007 20 0 CCADLP C[NH2+][C@@H](C)C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000638730852 375325366 /nfs/dbraw/zinc/32/53/66/375325366.db2.gz GHCUECWTDWFWSW-JSGCOSHPSA-N 2 2 292.383 0.007 20 0 CCADLP CC(C)([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000638732656 375326675 /nfs/dbraw/zinc/32/66/75/375326675.db2.gz YLSANBLYYTYVSE-ZDUSSCGKSA-N 2 2 292.383 0.136 20 0 CCADLP CC(C)([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000638732656 375326681 /nfs/dbraw/zinc/32/66/81/375326681.db2.gz YLSANBLYYTYVSE-ZDUSSCGKSA-N 2 2 292.383 0.136 20 0 CCADLP C[NH+](C)[C@@]1(C[NH2+][C@@H]2CCCNC(=O)C2)CCSC1 ZINC000638719874 375319083 /nfs/dbraw/zinc/31/90/83/375319083.db2.gz HDVQXPVCZVCUJT-DGCLKSJQSA-N 2 2 271.430 0.682 20 0 CCADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925889 375461880 /nfs/dbraw/zinc/46/18/80/375461880.db2.gz BXESAKDGGCUODL-UTUOFQBUSA-N 2 2 260.341 0.408 20 0 CCADLP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c[nH+]c(N)nc1N ZINC000638925853 375461965 /nfs/dbraw/zinc/46/19/65/375461965.db2.gz XNZDLEIIZZPJKC-NWDGAFQWSA-N 2 2 276.388 0.360 20 0 CCADLP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1c[nH+]c(N)nc1N ZINC000638925853 375461969 /nfs/dbraw/zinc/46/19/69/375461969.db2.gz XNZDLEIIZZPJKC-NWDGAFQWSA-N 2 2 276.388 0.360 20 0 CCADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000638935463 375471046 /nfs/dbraw/zinc/47/10/46/375471046.db2.gz NFANDJWGTLYTGV-WDEREUQCSA-N 2 2 258.325 0.825 20 0 CCADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638915785 375451555 /nfs/dbraw/zinc/45/15/55/375451555.db2.gz VMWOLJRWTPNSLG-UBHSHLNASA-N 2 2 279.384 0.203 20 0 CCADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638915785 375451558 /nfs/dbraw/zinc/45/15/58/375451558.db2.gz VMWOLJRWTPNSLG-UBHSHLNASA-N 2 2 279.384 0.203 20 0 CCADLP Nc1cc[nH+]cc1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638984167 375497047 /nfs/dbraw/zinc/49/70/47/375497047.db2.gz IULUKORREHAEBQ-UHFFFAOYSA-N 3 2 298.350 0.551 20 0 CCADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccon1 ZINC000638987758 375499677 /nfs/dbraw/zinc/49/96/77/375499677.db2.gz YPHQNPAZQIDBET-UHFFFAOYSA-N 2 2 273.296 0.732 20 0 CCADLP C[C@@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000638988738 375502106 /nfs/dbraw/zinc/50/21/06/375502106.db2.gz DAAPZTOCEGDJDP-SNVBAGLBSA-N 2 2 280.397 0.598 20 0 CCADLP C[C@@H]([NH3+])CC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000638990489 375503799 /nfs/dbraw/zinc/50/37/99/375503799.db2.gz LHNPJLAVNIEWCN-LLVKDONJSA-N 2 2 294.424 0.988 20 0 CCADLP CO[C@]1(C[NH2+][C@H]2CCn3cc[nH+]c3C2)CCOC1 ZINC000639071901 375559271 /nfs/dbraw/zinc/55/92/71/375559271.db2.gz QUDKQVVYNGLCFC-AAEUAGOBSA-N 2 2 251.330 0.593 20 0 CCADLP CCCC[N@H+](C)C[C@@H](C)NCc1c[nH+]c(N)nc1N ZINC000639188679 375624888 /nfs/dbraw/zinc/62/48/88/375624888.db2.gz KVOOJPNHFZGJFU-SNVBAGLBSA-N 2 2 266.393 0.512 20 0 CCADLP CCCC[N@@H+](C)C[C@@H](C)NCc1c[nH+]c(N)nc1N ZINC000639188679 375624892 /nfs/dbraw/zinc/62/48/92/375624892.db2.gz KVOOJPNHFZGJFU-SNVBAGLBSA-N 2 2 266.393 0.512 20 0 CCADLP O=C1C[C@@H]([NH2+][C@H]2CCC[N@@H+](CCCO)C2)CCCN1 ZINC000639216924 375638120 /nfs/dbraw/zinc/63/81/20/375638120.db2.gz ADWLDWNWRSTBEO-STQMWFEESA-N 2 2 269.389 0.092 20 0 CCADLP O=C1C[C@@H]([NH2+][C@H]2CCC[N@H+](CCCO)C2)CCCN1 ZINC000639216924 375638124 /nfs/dbraw/zinc/63/81/24/375638124.db2.gz ADWLDWNWRSTBEO-STQMWFEESA-N 2 2 269.389 0.092 20 0 CCADLP CO[C@@]1(C[NH2+]C[C@H]2CCC[N@@H+]2CCCO)CCOC1 ZINC000639219025 375642374 /nfs/dbraw/zinc/64/23/74/375642374.db2.gz RGUAQRYODYQTEL-ZIAGYGMSSA-N 2 2 272.389 0.228 20 0 CCADLP CO[C@@]1(C[NH2+]C[C@H]2CCC[N@H+]2CCCO)CCOC1 ZINC000639219025 375642378 /nfs/dbraw/zinc/64/23/78/375642378.db2.gz RGUAQRYODYQTEL-ZIAGYGMSSA-N 2 2 272.389 0.228 20 0 CCADLP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000639220288 375645003 /nfs/dbraw/zinc/64/50/03/375645003.db2.gz WXAVEZZTOTWSQS-KFWWJZLASA-N 2 2 297.443 0.870 20 0 CCADLP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000639220288 375645006 /nfs/dbraw/zinc/64/50/06/375645006.db2.gz WXAVEZZTOTWSQS-KFWWJZLASA-N 2 2 297.443 0.870 20 0 CCADLP COc1cc(C[C@@H](C)[NH2+]CC[N@@H+]2CC[C@@H](O)C2)ccn1 ZINC000639354762 375753969 /nfs/dbraw/zinc/75/39/69/375753969.db2.gz LOWGMMRYVUXVKH-TZMCWYRMSA-N 2 2 279.384 0.677 20 0 CCADLP COc1cc(C[C@@H](C)[NH2+]CC[N@H+]2CC[C@@H](O)C2)ccn1 ZINC000639354762 375753973 /nfs/dbraw/zinc/75/39/73/375753973.db2.gz LOWGMMRYVUXVKH-TZMCWYRMSA-N 2 2 279.384 0.677 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000639491094 375806515 /nfs/dbraw/zinc/80/65/15/375806515.db2.gz XSRHYKPLKWEEEJ-CYBMUJFWSA-N 2 2 253.346 0.436 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](OCCO)C1 ZINC000639491094 375806521 /nfs/dbraw/zinc/80/65/21/375806521.db2.gz XSRHYKPLKWEEEJ-CYBMUJFWSA-N 2 2 253.346 0.436 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCC(CCC(N)=O)CC1 ZINC000639553327 375832380 /nfs/dbraw/zinc/83/23/80/375832380.db2.gz DSNGCCWIPLLNKL-UHFFFAOYSA-N 2 2 264.373 0.940 20 0 CCADLP COCCO[C@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000639601353 375851976 /nfs/dbraw/zinc/85/19/76/375851976.db2.gz FTYJGHHBMZRFLR-ZDUSSCGKSA-N 2 2 253.346 0.700 20 0 CCADLP COCCO[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000639601353 375851978 /nfs/dbraw/zinc/85/19/78/375851978.db2.gz FTYJGHHBMZRFLR-ZDUSSCGKSA-N 2 2 253.346 0.700 20 0 CCADLP COCCOC[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000656702234 412844060 /nfs/dbraw/zinc/84/40/60/412844060.db2.gz MUFKDFZNOVLEBM-OLZOCXBDSA-N 2 2 274.405 0.473 20 0 CCADLP COCCOC[C@@H](O)C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000656702234 412844063 /nfs/dbraw/zinc/84/40/63/412844063.db2.gz MUFKDFZNOVLEBM-OLZOCXBDSA-N 2 2 274.405 0.473 20 0 CCADLP Cn1ncc(C2CC2)c1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000656711202 412846003 /nfs/dbraw/zinc/84/60/03/412846003.db2.gz RBUAMHARAIKFPQ-CYBMUJFWSA-N 2 2 278.400 0.844 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@](C)(O)C(F)(F)F)C1 ZINC000639766363 375996379 /nfs/dbraw/zinc/99/63/79/375996379.db2.gz NPVFJSJHPXJPMX-QWRGUYRKSA-N 2 2 284.322 0.688 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@](C)(O)C(F)(F)F)C1 ZINC000639766363 375996381 /nfs/dbraw/zinc/99/63/81/375996381.db2.gz NPVFJSJHPXJPMX-QWRGUYRKSA-N 2 2 284.322 0.688 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767161 375997851 /nfs/dbraw/zinc/99/78/51/375997851.db2.gz SYYKSPQIARFELF-BXUZGUMPSA-N 2 2 269.389 0.042 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767161 375997857 /nfs/dbraw/zinc/99/78/57/375997857.db2.gz SYYKSPQIARFELF-BXUZGUMPSA-N 2 2 269.389 0.042 20 0 CCADLP COc1ccc(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)nc1 ZINC000639766752 375998445 /nfs/dbraw/zinc/99/84/45/375998445.db2.gz OPJTXBAUDUFIOK-OAHLLOKOSA-N 2 2 279.384 0.979 20 0 CCADLP COc1ccc(C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)nc1 ZINC000639766752 375998448 /nfs/dbraw/zinc/99/84/48/375998448.db2.gz OPJTXBAUDUFIOK-OAHLLOKOSA-N 2 2 279.384 0.979 20 0 CCADLP Cc1csc(=O)n1CC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639760263 375982844 /nfs/dbraw/zinc/98/28/44/375982844.db2.gz DIGRCKDDMYCBAC-CQSZACIVSA-N 2 2 299.440 0.607 20 0 CCADLP Cc1csc(=O)n1CC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639760263 375982851 /nfs/dbraw/zinc/98/28/51/375982851.db2.gz DIGRCKDDMYCBAC-CQSZACIVSA-N 2 2 299.440 0.607 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCO[C@H]2CCCCO2)C1 ZINC000639762130 375987137 /nfs/dbraw/zinc/98/71/37/375987137.db2.gz GNSKJUOIXPHGJV-LSDHHAIUSA-N 2 2 286.416 0.918 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCO[C@H]2CCCCO2)C1 ZINC000639762130 375987139 /nfs/dbraw/zinc/98/71/39/375987139.db2.gz GNSKJUOIXPHGJV-LSDHHAIUSA-N 2 2 286.416 0.918 20 0 CCADLP CC(C)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639763402 375990644 /nfs/dbraw/zinc/99/06/44/375990644.db2.gz RKFCXVFZISJJPH-UKRRQHHQSA-N 2 2 285.432 0.536 20 0 CCADLP CC(C)CNC(=O)[C@@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639763402 375990650 /nfs/dbraw/zinc/99/06/50/375990650.db2.gz RKFCXVFZISJJPH-UKRRQHHQSA-N 2 2 285.432 0.536 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639848713 376061938 /nfs/dbraw/zinc/06/19/38/376061938.db2.gz IVSVLGUBINEJCZ-QWHCGFSZSA-N 2 2 253.346 0.170 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639848713 376061940 /nfs/dbraw/zinc/06/19/40/376061940.db2.gz IVSVLGUBINEJCZ-QWHCGFSZSA-N 2 2 253.346 0.170 20 0 CCADLP C[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)[C@H](CO)C1 ZINC000639938046 376137791 /nfs/dbraw/zinc/13/77/91/376137791.db2.gz KXEIVEUOOWYDAL-KWCYVHTRSA-N 2 2 256.390 0.534 20 0 CCADLP C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)[C@H](CO)C1 ZINC000639938046 376137799 /nfs/dbraw/zinc/13/77/99/376137799.db2.gz KXEIVEUOOWYDAL-KWCYVHTRSA-N 2 2 256.390 0.534 20 0 CCADLP C[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)[C@H](CO)C1 ZINC000639938046 376137809 /nfs/dbraw/zinc/13/78/09/376137809.db2.gz KXEIVEUOOWYDAL-KWCYVHTRSA-N 2 2 256.390 0.534 20 0 CCADLP C[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)[C@H](CO)C1 ZINC000639938046 376137813 /nfs/dbraw/zinc/13/78/13/376137813.db2.gz KXEIVEUOOWYDAL-KWCYVHTRSA-N 2 2 256.390 0.534 20 0 CCADLP C[C@@H]1CC[C@H](C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)O1 ZINC000640051471 376217040 /nfs/dbraw/zinc/21/70/40/376217040.db2.gz NRJIWYBERYHNPX-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@@H]1CC[C@H](C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)O1 ZINC000640051471 376217044 /nfs/dbraw/zinc/21/70/44/376217044.db2.gz NRJIWYBERYHNPX-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCC[C@@H](O)C1 ZINC000640051785 376219247 /nfs/dbraw/zinc/21/92/47/376219247.db2.gz ZTHAUJZCMXRSFG-ZIAGYGMSSA-N 2 2 283.416 0.243 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCC[C@@H](O)C1 ZINC000640051785 376219254 /nfs/dbraw/zinc/21/92/54/376219254.db2.gz ZTHAUJZCMXRSFG-ZIAGYGMSSA-N 2 2 283.416 0.243 20 0 CCADLP CO[C@H](C[N@H+](C)CC(=O)N1CC[NH+](C)CC1)C1CCCC1 ZINC000640061919 376222213 /nfs/dbraw/zinc/22/22/13/376222213.db2.gz NONCZJVWHUAOII-OAHLLOKOSA-N 2 2 297.443 0.897 20 0 CCADLP CO[C@H](C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1)C1CCCC1 ZINC000640061919 376222218 /nfs/dbraw/zinc/22/22/18/376222218.db2.gz NONCZJVWHUAOII-OAHLLOKOSA-N 2 2 297.443 0.897 20 0 CCADLP c1c(C[C@@H]2CCC[NH2+]C2)nnn1CC[NH+]1CCOCC1 ZINC000641032079 376690038 /nfs/dbraw/zinc/69/00/38/376690038.db2.gz APKPQBWHUPLBRE-ZDUSSCGKSA-N 2 2 279.388 0.152 20 0 CCADLP Cc1cc(Cn2cc(CN(C)CCC[NH3+])nn2)cc[nH+]1 ZINC000641088872 376764036 /nfs/dbraw/zinc/76/40/36/376764036.db2.gz KPRXAFPEWJWKEW-UHFFFAOYSA-N 2 2 274.372 0.810 20 0 CCADLP CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641354229 377028949 /nfs/dbraw/zinc/02/89/49/377028949.db2.gz KVIXMOONZFXBTB-LBPRGKRZSA-N 2 2 286.401 0.239 20 0 CCADLP CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641354229 377028956 /nfs/dbraw/zinc/02/89/56/377028956.db2.gz KVIXMOONZFXBTB-LBPRGKRZSA-N 2 2 286.401 0.239 20 0 CCADLP C[C@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)CCn1cc[nH+]c1 ZINC000641407603 377080851 /nfs/dbraw/zinc/08/08/51/377080851.db2.gz DENRAAMEYDAKIJ-RYUDHWBXSA-N 2 2 286.401 0.237 20 0 CCADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)CCn1cc[nH+]c1 ZINC000641407603 377080861 /nfs/dbraw/zinc/08/08/61/377080861.db2.gz DENRAAMEYDAKIJ-RYUDHWBXSA-N 2 2 286.401 0.237 20 0 CCADLP C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)CCn1cc[nH+]c1 ZINC000641510942 377198766 /nfs/dbraw/zinc/19/87/66/377198766.db2.gz JHMIRSQFKNBELX-VXGBXAGGSA-N 2 2 286.401 0.237 20 0 CCADLP C[C@H]1C[N@H+](CCCNc2cc(CO)cc[nH+]2)CCCO1 ZINC000641537608 377238390 /nfs/dbraw/zinc/23/83/90/377238390.db2.gz OALYUJGFSWNDMK-ZDUSSCGKSA-N 2 2 279.384 0.909 20 0 CCADLP C[C@H]1C[N@@H+](CCCNc2cc(CO)cc[nH+]2)CCCO1 ZINC000641537608 377238397 /nfs/dbraw/zinc/23/83/97/377238397.db2.gz OALYUJGFSWNDMK-ZDUSSCGKSA-N 2 2 279.384 0.909 20 0 CCADLP Fc1c[nH+]ccc1NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000641620575 377326108 /nfs/dbraw/zinc/32/61/08/377326108.db2.gz DESRCDQTAYVJFO-PHIMTYICSA-N 2 2 251.305 0.918 20 0 CCADLP Fc1c[nH+]ccc1NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000641620575 377326111 /nfs/dbraw/zinc/32/61/11/377326111.db2.gz DESRCDQTAYVJFO-PHIMTYICSA-N 2 2 251.305 0.918 20 0 CCADLP Nc1[nH+]cccc1Cn1cc[nH+]c1CN1CCOCC1 ZINC000641726287 377426437 /nfs/dbraw/zinc/42/64/37/377426437.db2.gz QCCGJZZOZFIYTF-UHFFFAOYSA-N 2 2 273.340 0.741 20 0 CCADLP COCc1cc(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)no1 ZINC000641719164 377417011 /nfs/dbraw/zinc/41/70/11/377417011.db2.gz GFLKRQAVALTRIZ-GFCCVEGCSA-N 2 2 282.388 0.547 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@H](CC)[NH+]1CCCC1 ZINC000422967081 249012299 /nfs/dbraw/zinc/01/22/99/249012299.db2.gz SFMODGMBQSUTBU-MELADBBJSA-N 2 2 283.416 0.744 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000423671960 249013226 /nfs/dbraw/zinc/01/32/26/249013226.db2.gz DCFKQXHAMKWCQM-JTQLQIEISA-N 2 2 259.313 0.734 20 0 CCADLP C[NH+]1CCN(C(=O)NC[C@H]2COCC[N@H+]2C)CC1(C)C ZINC000641845325 377509999 /nfs/dbraw/zinc/50/99/99/377509999.db2.gz UGMLMPATPWGENK-LBPRGKRZSA-N 2 2 284.404 0.053 20 0 CCADLP C[NH+]1CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)CC1(C)C ZINC000641845325 377510005 /nfs/dbraw/zinc/51/00/05/377510005.db2.gz UGMLMPATPWGENK-LBPRGKRZSA-N 2 2 284.404 0.053 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000641845325 377510012 /nfs/dbraw/zinc/51/00/12/377510012.db2.gz UGMLMPATPWGENK-LBPRGKRZSA-N 2 2 284.404 0.053 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000641845325 377510018 /nfs/dbraw/zinc/51/00/18/377510018.db2.gz UGMLMPATPWGENK-LBPRGKRZSA-N 2 2 284.404 0.053 20 0 CCADLP CC(C)[NH+]1CCC(O)(CNC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492761468 249083716 /nfs/dbraw/zinc/08/37/16/249083716.db2.gz GFGITSONJIYHGN-ARJAWSKDSA-N 2 2 292.383 0.774 20 0 CCADLP Cc1nc(NC[C@H](C)[NH+](C)C)cc(NC[C@H](C)[NH+](C)C)[nH+]1 ZINC000515341266 249127906 /nfs/dbraw/zinc/12/79/06/249127906.db2.gz IIJUHGIXOJLPJC-RYUDHWBXSA-N 3 2 294.447 0.931 20 0 CCADLP C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000514698798 249100119 /nfs/dbraw/zinc/10/01/19/249100119.db2.gz JHXLFIIBZHGGDW-NWDGAFQWSA-N 2 2 291.399 0.908 20 0 CCADLP C[N@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000514698798 249100121 /nfs/dbraw/zinc/10/01/21/249100121.db2.gz JHXLFIIBZHGGDW-NWDGAFQWSA-N 2 2 291.399 0.908 20 0 CCADLP C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000514698798 249100124 /nfs/dbraw/zinc/10/01/24/249100124.db2.gz JHXLFIIBZHGGDW-NWDGAFQWSA-N 2 2 291.399 0.908 20 0 CCADLP C[N@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000514698798 249100127 /nfs/dbraw/zinc/10/01/27/249100127.db2.gz JHXLFIIBZHGGDW-NWDGAFQWSA-N 2 2 291.399 0.908 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000514869989 249109995 /nfs/dbraw/zinc/10/99/95/249109995.db2.gz FUPXWCUVTZSDPD-CQSZACIVSA-N 2 2 298.431 0.179 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000514869989 249109998 /nfs/dbraw/zinc/10/99/98/249109998.db2.gz FUPXWCUVTZSDPD-CQSZACIVSA-N 2 2 298.431 0.179 20 0 CCADLP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000516273925 249157936 /nfs/dbraw/zinc/15/79/36/249157936.db2.gz BGHRPJJZVCDSHO-PMOUVXMZSA-N 3 2 267.417 0.861 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3scnc3C3CC3)CCN2C1=O ZINC000517176044 249207542 /nfs/dbraw/zinc/20/75/42/249207542.db2.gz LEEFJBPJFVDMAM-GHMZBOCLSA-N 2 2 292.408 0.764 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3scnc3C3CC3)CCN2C1=O ZINC000517176044 249207545 /nfs/dbraw/zinc/20/75/45/249207545.db2.gz LEEFJBPJFVDMAM-GHMZBOCLSA-N 2 2 292.408 0.764 20 0 CCADLP C[C@H](CNC(=O)[C@@H]([NH3+])c1cscn1)[NH+]1CCCC1 ZINC000517932550 249234326 /nfs/dbraw/zinc/23/43/26/249234326.db2.gz NGPKMPYNKQVMSH-KOLCDFICSA-N 2 2 268.386 0.743 20 0 CCADLP C[N@@H+]1CCc2ncnc(NC[C@H]3CCCC[NH2+]3)c2C1 ZINC000642996272 377682703 /nfs/dbraw/zinc/68/27/03/377682703.db2.gz QHPGAOXJZQRUON-LLVKDONJSA-N 2 2 261.373 0.440 20 0 CCADLP C[N@H+]1CCc2ncnc(NC[C@H]3CCCC[NH2+]3)c2C1 ZINC000642996272 377682709 /nfs/dbraw/zinc/68/27/09/377682709.db2.gz QHPGAOXJZQRUON-LLVKDONJSA-N 2 2 261.373 0.440 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2[nH]nc3ccccc32)[C@@H](C[NH3+])C1 ZINC000574689240 335039799 /nfs/dbraw/zinc/03/97/99/335039799.db2.gz DSCWDYZHNREKNK-NSHDSACASA-N 2 2 287.367 0.207 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2[nH]nc3ccccc32)[C@@H](C[NH3+])C1 ZINC000574689240 335039800 /nfs/dbraw/zinc/03/98/00/335039800.db2.gz DSCWDYZHNREKNK-NSHDSACASA-N 2 2 287.367 0.207 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2[nH]nc3ccccc32)[C@H](C[NH3+])C1 ZINC000574689239 335039837 /nfs/dbraw/zinc/03/98/37/335039837.db2.gz DSCWDYZHNREKNK-LLVKDONJSA-N 2 2 287.367 0.207 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2[nH]nc3ccccc32)[C@H](C[NH3+])C1 ZINC000574689239 335039838 /nfs/dbraw/zinc/03/98/38/335039838.db2.gz DSCWDYZHNREKNK-LLVKDONJSA-N 2 2 287.367 0.207 20 0 CCADLP CNC(=O)CCC[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000569788552 291708400 /nfs/dbraw/zinc/70/84/00/291708400.db2.gz CMTTXIJLVZMMTL-UHFFFAOYSA-N 2 2 277.372 0.433 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000278592444 194059269 /nfs/dbraw/zinc/05/92/69/194059269.db2.gz KOFFXNGLGWRUKX-TXEJJXNPSA-N 2 2 294.399 0.876 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000278592444 194059271 /nfs/dbraw/zinc/05/92/71/194059271.db2.gz KOFFXNGLGWRUKX-TXEJJXNPSA-N 2 2 294.399 0.876 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000278592444 194059273 /nfs/dbraw/zinc/05/92/73/194059273.db2.gz KOFFXNGLGWRUKX-TXEJJXNPSA-N 2 2 294.399 0.876 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000278592444 194059277 /nfs/dbraw/zinc/05/92/77/194059277.db2.gz KOFFXNGLGWRUKX-TXEJJXNPSA-N 2 2 294.399 0.876 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000279353444 194397390 /nfs/dbraw/zinc/39/73/90/194397390.db2.gz FLYOEYPKWKZFMF-NSHDSACASA-N 2 2 250.346 0.813 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000279353444 194397394 /nfs/dbraw/zinc/39/73/94/194397394.db2.gz FLYOEYPKWKZFMF-NSHDSACASA-N 2 2 250.346 0.813 20 0 CCADLP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657309159 412956038 /nfs/dbraw/zinc/95/60/38/412956038.db2.gz AAQINNKBIGTUFJ-AWEZNQCLSA-N 3 2 291.443 0.945 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657308985 412956724 /nfs/dbraw/zinc/95/67/24/412956724.db2.gz FGMRUQMOLNQNME-SNVBAGLBSA-N 2 2 263.349 0.803 20 0 CCADLP CS[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH+]1CCCC1 ZINC000571135358 291793236 /nfs/dbraw/zinc/79/32/36/291793236.db2.gz SGXALQVBWJAIMA-QWHCGFSZSA-N 2 2 294.424 0.921 20 0 CCADLP [NH3+]CCCn1cc(C(=O)NCc2cn3ccccc3[nH+]2)nn1 ZINC000571200300 291798540 /nfs/dbraw/zinc/79/85/40/291798540.db2.gz HGVKLQHDHLQFPT-UHFFFAOYSA-N 2 2 299.338 0.205 20 0 CCADLP C[C@H](NC(=O)C1(C[NH3+])CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000237544578 284971616 /nfs/dbraw/zinc/97/16/16/284971616.db2.gz XQBLHCKWZIYUAK-STQMWFEESA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCC[NH+]1CCOCC1 ZINC000246287008 285013568 /nfs/dbraw/zinc/01/35/68/285013568.db2.gz KLRPZNCVFZSPLM-ZIAGYGMSSA-N 2 2 298.431 0.300 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCC[NH+]1CCOCC1 ZINC000246287008 285013569 /nfs/dbraw/zinc/01/35/69/285013569.db2.gz KLRPZNCVFZSPLM-ZIAGYGMSSA-N 2 2 298.431 0.300 20 0 CCADLP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420359224 296351209 /nfs/dbraw/zinc/35/12/09/296351209.db2.gz VFJROKCUXVIYOE-FRRDWIJNSA-N 2 2 271.405 0.275 20 0 CCADLP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420359224 296351210 /nfs/dbraw/zinc/35/12/10/296351210.db2.gz VFJROKCUXVIYOE-FRRDWIJNSA-N 2 2 271.405 0.275 20 0 CCADLP O=S1(=O)CCC[C@@H]1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657399055 412982305 /nfs/dbraw/zinc/98/23/05/412982305.db2.gz GPHHXMSYUNMAOF-LLVKDONJSA-N 2 2 269.370 0.496 20 0 CCADLP COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000362715540 285111115 /nfs/dbraw/zinc/11/11/15/285111115.db2.gz JBZNFRZDVMQKIM-XDQVBPFNSA-N 2 2 272.389 0.347 20 0 CCADLP COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000362715540 285111118 /nfs/dbraw/zinc/11/11/18/285111118.db2.gz JBZNFRZDVMQKIM-XDQVBPFNSA-N 2 2 272.389 0.347 20 0 CCADLP Cc1cc(CNC(=O)C(=O)N(C)CCC[NH3+])cc(C)[nH+]1 ZINC000572379385 291876133 /nfs/dbraw/zinc/87/61/33/291876133.db2.gz DKGRKNVSLBUZQE-UHFFFAOYSA-N 2 2 278.356 0.122 20 0 CCADLP Cc1cc[nH+]cc1CCC[NH+]1CCN(CC(N)=O)CC1 ZINC000289106321 197236563 /nfs/dbraw/zinc/23/65/63/197236563.db2.gz MKWBWXHFWRWRDA-UHFFFAOYSA-N 2 2 276.384 0.426 20 0 CCADLP OC[C@@H](C[NH2+]Cc1c[nH+]c2n1CCC2)[C@@H]1CCOC1 ZINC000657455070 412997468 /nfs/dbraw/zinc/99/74/68/412997468.db2.gz PCGOBPAHAIDORB-VXGBXAGGSA-N 2 2 265.357 0.564 20 0 CCADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000572517512 291885007 /nfs/dbraw/zinc/88/50/07/291885007.db2.gz VRGAMZLRDDMLPE-OAHLLOKOSA-N 2 2 291.399 0.064 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000288834329 197175293 /nfs/dbraw/zinc/17/52/93/197175293.db2.gz HIVFUOCABKZTQB-UHFFFAOYSA-N 2 2 280.372 0.569 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000288834329 197175296 /nfs/dbraw/zinc/17/52/96/197175296.db2.gz HIVFUOCABKZTQB-UHFFFAOYSA-N 2 2 280.372 0.569 20 0 CCADLP CC[NH+]1CCC([NH2+][C@@H]2CS(=O)(=O)C[C@@H]2C)CC1 ZINC000515254296 285191945 /nfs/dbraw/zinc/19/19/45/285191945.db2.gz PXALBRKDXOCKDK-CMPLNLGQSA-N 2 2 260.403 0.493 20 0 CCADLP CC(C)NC(=O)[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657496103 413007855 /nfs/dbraw/zinc/00/78/55/413007855.db2.gz MCWOQIYZVWDEKN-SNVBAGLBSA-N 2 2 250.346 0.832 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2nc(C)no2)C1 ZINC000574867946 335053247 /nfs/dbraw/zinc/05/32/47/335053247.db2.gz IWHNCDBLSXYUDW-OLZOCXBDSA-N 2 2 282.388 0.870 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2nc(C)no2)C1 ZINC000574867946 335053248 /nfs/dbraw/zinc/05/32/48/335053248.db2.gz IWHNCDBLSXYUDW-OLZOCXBDSA-N 2 2 282.388 0.870 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](c2nc(C)no2)C1 ZINC000574867946 335053249 /nfs/dbraw/zinc/05/32/49/335053249.db2.gz IWHNCDBLSXYUDW-OLZOCXBDSA-N 2 2 282.388 0.870 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](c2nc(C)no2)C1 ZINC000574867946 335053250 /nfs/dbraw/zinc/05/32/50/335053250.db2.gz IWHNCDBLSXYUDW-OLZOCXBDSA-N 2 2 282.388 0.870 20 0 CCADLP CN1C(=O)CC[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1=O ZINC000657497078 413011121 /nfs/dbraw/zinc/01/11/21/413011121.db2.gz OMEXAXUYESYABG-SNVBAGLBSA-N 2 2 262.313 0.066 20 0 CCADLP Cc1cc(NC[C@@H]2C[NH2+]CCN2C)nc(C(C)C)[nH+]1 ZINC000394729824 285217392 /nfs/dbraw/zinc/21/73/92/285217392.db2.gz KHABCHBQDVHRDT-LBPRGKRZSA-N 2 2 263.389 0.646 20 0 CCADLP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000657573916 413024618 /nfs/dbraw/zinc/02/46/18/413024618.db2.gz PRQCXWRWZFPENO-KKUMJFAQSA-N 3 2 270.465 0.798 20 0 CCADLP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000657573916 413024622 /nfs/dbraw/zinc/02/46/22/413024622.db2.gz PRQCXWRWZFPENO-KKUMJFAQSA-N 3 2 270.465 0.798 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000521640557 285283396 /nfs/dbraw/zinc/28/33/96/285283396.db2.gz YEPCZMDWPUVYTA-KBUPBQIOSA-N 2 2 295.427 0.968 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000521640557 285283398 /nfs/dbraw/zinc/28/33/98/285283398.db2.gz YEPCZMDWPUVYTA-KBUPBQIOSA-N 2 2 295.427 0.968 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCN1CCCC1=O ZINC000521885053 285294896 /nfs/dbraw/zinc/29/48/96/285294896.db2.gz LUDJLKJERNQLNM-AAEUAGOBSA-N 2 2 251.374 0.681 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCN1CCCC1=O ZINC000521885053 285294902 /nfs/dbraw/zinc/29/49/02/285294902.db2.gz LUDJLKJERNQLNM-AAEUAGOBSA-N 2 2 251.374 0.681 20 0 CCADLP C[C@H]1C[N@H+](CCNc2cc[nH+]c(N(C)C)n2)CCO1 ZINC000525365151 285317220 /nfs/dbraw/zinc/31/72/20/285317220.db2.gz MZKUHYCGZNFWOM-NSHDSACASA-N 2 2 265.361 0.097 20 0 CCADLP C[C@H]1C[N@@H+](CCNc2cc[nH+]c(N(C)C)n2)CCO1 ZINC000525365151 285317223 /nfs/dbraw/zinc/31/72/23/285317223.db2.gz MZKUHYCGZNFWOM-NSHDSACASA-N 2 2 265.361 0.097 20 0 CCADLP CCN1CC[N@H+](C[C@H]2CCC[NH2+]C2)C(C)(C)C1=O ZINC000261783940 285323309 /nfs/dbraw/zinc/32/33/09/285323309.db2.gz FQBHVHKLPKOCPP-LBPRGKRZSA-N 2 2 253.390 0.929 20 0 CCADLP CCN1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C(C)(C)C1=O ZINC000261783940 285323312 /nfs/dbraw/zinc/32/33/12/285323312.db2.gz FQBHVHKLPKOCPP-LBPRGKRZSA-N 2 2 253.390 0.929 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000186791902 388852659 /nfs/dbraw/zinc/85/26/59/388852659.db2.gz GESOFQTUKHHORI-CQSZACIVSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCS(C)(=O)=O ZINC000038047564 388850412 /nfs/dbraw/zinc/85/04/12/388850412.db2.gz ZRSCHXYBRBZJRH-UTUOFQBUSA-N 2 2 262.419 0.739 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCS(C)(=O)=O ZINC000038047564 388850416 /nfs/dbraw/zinc/85/04/16/388850416.db2.gz ZRSCHXYBRBZJRH-UTUOFQBUSA-N 2 2 262.419 0.739 20 0 CCADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000289704986 388883526 /nfs/dbraw/zinc/88/35/26/388883526.db2.gz NUAJGNGJQVUZOH-KBPBESRZSA-N 2 2 250.342 0.750 20 0 CCADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000289704986 388883529 /nfs/dbraw/zinc/88/35/29/388883529.db2.gz NUAJGNGJQVUZOH-KBPBESRZSA-N 2 2 250.342 0.750 20 0 CCADLP C[C@@H]1CN(Cc2c[nH+]c3ccccn23)CC[N@@H+]1CCO ZINC000187685784 388892299 /nfs/dbraw/zinc/89/22/99/388892299.db2.gz MRHSYDQVSYOFRX-CYBMUJFWSA-N 2 2 274.368 0.833 20 0 CCADLP C[C@@H]1CN(Cc2c[nH+]c3ccccn23)CC[N@H+]1CCO ZINC000187685784 388892301 /nfs/dbraw/zinc/89/23/01/388892301.db2.gz MRHSYDQVSYOFRX-CYBMUJFWSA-N 2 2 274.368 0.833 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NCc2c[nH+]cn2C)C[N@@H+]1C1CC1 ZINC000290803577 388913337 /nfs/dbraw/zinc/91/33/37/388913337.db2.gz UZHDCXMZMNCRIC-GHMZBOCLSA-N 2 2 277.372 0.845 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NCc2c[nH+]cn2C)C[N@H+]1C1CC1 ZINC000290803577 388913342 /nfs/dbraw/zinc/91/33/42/388913342.db2.gz UZHDCXMZMNCRIC-GHMZBOCLSA-N 2 2 277.372 0.845 20 0 CCADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCc1c[nH+]cn1C ZINC000292244151 388946236 /nfs/dbraw/zinc/94/62/36/388946236.db2.gz GQWTVXXNPXZGCZ-GFCCVEGCSA-N 2 2 279.388 0.903 20 0 CCADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCc1c[nH+]cn1C ZINC000292244151 388946241 /nfs/dbraw/zinc/94/62/41/388946241.db2.gz GQWTVXXNPXZGCZ-GFCCVEGCSA-N 2 2 279.388 0.903 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2c[nH+]cn2C)[C@@H](C)C1 ZINC000292437760 388949286 /nfs/dbraw/zinc/94/92/86/388949286.db2.gz VMWIWLSALXTFJZ-NWDGAFQWSA-N 2 2 295.387 0.017 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2c[nH+]cn2C)[C@@H](C)C1 ZINC000292437760 388949288 /nfs/dbraw/zinc/94/92/88/388949288.db2.gz VMWIWLSALXTFJZ-NWDGAFQWSA-N 2 2 295.387 0.017 20 0 CCADLP C([C@H]1CCC[N@@H+]([C@@H]2CCOC2)C1)[NH+]1CCOCC1 ZINC000336732350 389015999 /nfs/dbraw/zinc/01/59/99/389015999.db2.gz SBWWNRSITPEMJF-ZIAGYGMSSA-N 2 2 254.374 0.820 20 0 CCADLP C([C@H]1CCC[N@H+]([C@@H]2CCOC2)C1)[NH+]1CCOCC1 ZINC000336732350 389016005 /nfs/dbraw/zinc/01/60/05/389016005.db2.gz SBWWNRSITPEMJF-ZIAGYGMSSA-N 2 2 254.374 0.820 20 0 CCADLP Cc1cc(N2CCC(C(=O)NCC[NH+](C)C)CC2)nc[nH+]1 ZINC000301234268 389049319 /nfs/dbraw/zinc/04/93/19/389049319.db2.gz KUIQHTUAQPQFRP-UHFFFAOYSA-N 2 2 291.399 0.679 20 0 CCADLP CC(C)OCC[NH+]1CCN(CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000192735770 389050547 /nfs/dbraw/zinc/05/05/47/389050547.db2.gz DXMSFZDVXSOQKL-INIZCTEOSA-N 2 2 299.459 0.750 20 0 CCADLP CC(C)(O)C[NH+]1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000106402507 389092412 /nfs/dbraw/zinc/09/24/12/389092412.db2.gz FRHJAUBVRJUARH-UHFFFAOYSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[NH+](CC(C)(C)O)[C@H](C)C2)CCO1 ZINC000192839885 389055747 /nfs/dbraw/zinc/05/57/47/389055747.db2.gz FGSAWFOVILRSCD-HUUCEWRRSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](CC(C)(C)O)[C@H](C)C2)CCO1 ZINC000192839885 389055749 /nfs/dbraw/zinc/05/57/49/389055749.db2.gz FGSAWFOVILRSCD-HUUCEWRRSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CCO1 ZINC000192839885 389055750 /nfs/dbraw/zinc/05/57/50/389055750.db2.gz FGSAWFOVILRSCD-HUUCEWRRSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CCO1 ZINC000192839885 389055752 /nfs/dbraw/zinc/05/57/52/389055752.db2.gz FGSAWFOVILRSCD-HUUCEWRRSA-N 2 2 299.459 0.484 20 0 CCADLP COc1ccc(OC)c(C[NH+]2CCN(CC[NH3+])CC2)c1 ZINC000098137991 389069631 /nfs/dbraw/zinc/06/96/31/389069631.db2.gz MCHBHBVCUQDQLC-UHFFFAOYSA-N 2 2 279.384 0.780 20 0 CCADLP C[C@H]1CC[N@H+](CC2(CO)COC2)C[C@H]1n1cc[nH+]c1 ZINC000305616347 389086217 /nfs/dbraw/zinc/08/62/17/389086217.db2.gz DDKQPAZLNYWLOF-QWHCGFSZSA-N 2 2 265.357 0.775 20 0 CCADLP C[C@H]1CC[N@@H+](CC2(CO)COC2)C[C@H]1n1cc[nH+]c1 ZINC000305616347 389086219 /nfs/dbraw/zinc/08/62/19/389086219.db2.gz DDKQPAZLNYWLOF-QWHCGFSZSA-N 2 2 265.357 0.775 20 0 CCADLP C[C@H](CNC(=O)NCC[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000194160585 389090366 /nfs/dbraw/zinc/09/03/66/389090366.db2.gz UUWNNLDSTSAGFC-CQSZACIVSA-N 2 2 298.431 0.350 20 0 CCADLP C=Cn1cc(C[NH2+]CCC[NH+]2CCC(O)CC2)cn1 ZINC000194256108 389091400 /nfs/dbraw/zinc/09/14/00/389091400.db2.gz AHUNOKLCVGIIFV-UHFFFAOYSA-N 2 2 264.373 0.920 20 0 CCADLP COCC[C@](C)(O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000223666645 389144443 /nfs/dbraw/zinc/14/44/43/389144443.db2.gz ZLYGZGGQEPTFHK-BZPMIXESSA-N 2 2 256.390 0.989 20 0 CCADLP COCC[C@](C)(O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000223666645 389144445 /nfs/dbraw/zinc/14/44/45/389144445.db2.gz ZLYGZGGQEPTFHK-BZPMIXESSA-N 2 2 256.390 0.989 20 0 CCADLP CC[C@H](C(N)=O)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109752637 389100213 /nfs/dbraw/zinc/10/02/13/389100213.db2.gz DWYZTMOMVUFECT-UONOGXRCSA-N 2 2 282.432 0.352 20 0 CCADLP CC[C@H](C(N)=O)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000109752637 389100216 /nfs/dbraw/zinc/10/02/16/389100216.db2.gz DWYZTMOMVUFECT-UONOGXRCSA-N 2 2 282.432 0.352 20 0 CCADLP C[C@@H]1OCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H]1C ZINC000338268928 389101107 /nfs/dbraw/zinc/10/11/07/389101107.db2.gz ACROPRCNZLTBFM-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP C[C@@H]1OCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H]1C ZINC000338268928 389101110 /nfs/dbraw/zinc/10/11/10/389101110.db2.gz ACROPRCNZLTBFM-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000338299947 389107916 /nfs/dbraw/zinc/10/79/16/389107916.db2.gz ACXIHKWIDQKEIY-AWEZNQCLSA-N 3 2 282.432 0.034 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000338299947 389107918 /nfs/dbraw/zinc/10/79/18/389107918.db2.gz ACXIHKWIDQKEIY-AWEZNQCLSA-N 3 2 282.432 0.034 20 0 CCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000226402063 389147899 /nfs/dbraw/zinc/14/78/99/389147899.db2.gz FVHMFPMSUZDVRW-DOMZBBRYSA-N 2 2 273.380 0.863 20 0 CCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000226402063 389147901 /nfs/dbraw/zinc/14/79/01/389147901.db2.gz FVHMFPMSUZDVRW-DOMZBBRYSA-N 2 2 273.380 0.863 20 0 CCADLP COC(=O)[C@H]1C[N@H+](CCn2cc[nH+]c2C)C[C@H](C)O1 ZINC000338343363 389109121 /nfs/dbraw/zinc/10/91/21/389109121.db2.gz RUOBPZUPJAJABR-CMPLNLGQSA-N 2 2 267.329 0.454 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](CCn2cc[nH+]c2C)C[C@H](C)O1 ZINC000338343363 389109122 /nfs/dbraw/zinc/10/91/22/389109122.db2.gz RUOBPZUPJAJABR-CMPLNLGQSA-N 2 2 267.329 0.454 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CC(=O)N2CCOCC2)[C@@H]1C ZINC000316283122 389119317 /nfs/dbraw/zinc/11/93/17/389119317.db2.gz SRZCNEWODGKUIG-JHJVBQTASA-N 2 2 269.389 0.293 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CC(=O)N2CCOCC2)[C@@H]1C ZINC000316283122 389119318 /nfs/dbraw/zinc/11/93/18/389119318.db2.gz SRZCNEWODGKUIG-JHJVBQTASA-N 2 2 269.389 0.293 20 0 CCADLP CC[N@@H+]1CC[C@@H]2OCCN(CC[NH+]3CCO[C@@H](C)C3)[C@@H]2C1 ZINC000339389786 389132374 /nfs/dbraw/zinc/13/23/74/389132374.db2.gz ASASBGYPJRHLKC-XHSDSOJGSA-N 2 2 297.443 0.502 20 0 CCADLP CC[N@H+]1CC[C@@H]2OCCN(CC[NH+]3CCO[C@@H](C)C3)[C@@H]2C1 ZINC000339389786 389132376 /nfs/dbraw/zinc/13/23/76/389132376.db2.gz ASASBGYPJRHLKC-XHSDSOJGSA-N 2 2 297.443 0.502 20 0 CCADLP CC[NH+]1CC[C@@H]2OCCN(CC[N@@H+]3CCO[C@@H](C)C3)[C@@H]2C1 ZINC000339389786 389132381 /nfs/dbraw/zinc/13/23/81/389132381.db2.gz ASASBGYPJRHLKC-XHSDSOJGSA-N 2 2 297.443 0.502 20 0 CCADLP CC[NH+]1CC[C@@H]2OCCN(CC[N@H+]3CCO[C@@H](C)C3)[C@@H]2C1 ZINC000339389786 389132384 /nfs/dbraw/zinc/13/23/84/389132384.db2.gz ASASBGYPJRHLKC-XHSDSOJGSA-N 2 2 297.443 0.502 20 0 CCADLP CC(C)N(CC[NH+](C)C)C(=O)NCc1c[nH+]cn1C ZINC000360109048 389191325 /nfs/dbraw/zinc/19/13/25/389191325.db2.gz CWRQTYYCSOWZOO-UHFFFAOYSA-N 2 2 267.377 0.902 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360562042 389199871 /nfs/dbraw/zinc/19/98/71/389199871.db2.gz KWAJDAWRMDAASX-WFASDCNBSA-N 2 2 296.415 0.542 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360562042 389199872 /nfs/dbraw/zinc/19/98/72/389199872.db2.gz KWAJDAWRMDAASX-WFASDCNBSA-N 2 2 296.415 0.542 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cnc(C)nc1 ZINC000340692984 389162446 /nfs/dbraw/zinc/16/24/46/389162446.db2.gz XWNJKSUQCDCIRG-CQSZACIVSA-N 2 2 264.373 0.985 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cnc(C)nc1 ZINC000340692984 389162447 /nfs/dbraw/zinc/16/24/47/389162447.db2.gz XWNJKSUQCDCIRG-CQSZACIVSA-N 2 2 264.373 0.985 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247531599 389240996 /nfs/dbraw/zinc/24/09/96/389240996.db2.gz OGGAVRSDUYNEQJ-NWDGAFQWSA-N 2 2 284.404 0.637 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247531599 389240998 /nfs/dbraw/zinc/24/09/98/389240998.db2.gz OGGAVRSDUYNEQJ-NWDGAFQWSA-N 2 2 284.404 0.637 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247531599 389241000 /nfs/dbraw/zinc/24/10/00/389241000.db2.gz OGGAVRSDUYNEQJ-NWDGAFQWSA-N 2 2 284.404 0.637 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247531599 389241003 /nfs/dbraw/zinc/24/10/03/389241003.db2.gz OGGAVRSDUYNEQJ-NWDGAFQWSA-N 2 2 284.404 0.637 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(F)(F)[C@H](CO)C1)C1CC1 ZINC000361407988 389214914 /nfs/dbraw/zinc/21/49/14/389214914.db2.gz JJJDPAHTPJTCNZ-CMPLNLGQSA-N 2 2 278.343 0.391 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC(F)(F)[C@H](CO)C1)C1CC1 ZINC000361407988 389214915 /nfs/dbraw/zinc/21/49/15/389214915.db2.gz JJJDPAHTPJTCNZ-CMPLNLGQSA-N 2 2 278.343 0.391 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCC(F)(F)[C@H](CO)C1)C1CC1 ZINC000361407988 389214917 /nfs/dbraw/zinc/21/49/17/389214917.db2.gz JJJDPAHTPJTCNZ-CMPLNLGQSA-N 2 2 278.343 0.391 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)CCCC[NH+]1CCOCC1 ZINC000264214941 389313153 /nfs/dbraw/zinc/31/31/53/389313153.db2.gz WXVHXINTCJZWQG-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP C[C@H]([C@H](C)NC(=O)CCn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000264282853 389317979 /nfs/dbraw/zinc/31/79/79/389317979.db2.gz PEXRAQAVZRQNAY-QWHCGFSZSA-N 2 2 280.372 0.499 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000264481934 389331858 /nfs/dbraw/zinc/33/18/58/389331858.db2.gz XYZPMULSXZYNLZ-LBPRGKRZSA-N 2 2 262.357 0.964 20 0 CCADLP CCN(CCC[NH+]1CCCC1)C(=O)[C@@H]1COCC[N@@H+]1C ZINC000346578174 389332745 /nfs/dbraw/zinc/33/27/45/389332745.db2.gz WUAWPOQDGFSZOT-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP CCN(CCC[NH+]1CCCC1)C(=O)[C@@H]1COCC[N@H+]1C ZINC000346578174 389332748 /nfs/dbraw/zinc/33/27/48/389332748.db2.gz WUAWPOQDGFSZOT-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP Cn1cc(C[NH2+]C2(CCO)CC[NH+](C)CC2)cn1 ZINC000331023918 389287259 /nfs/dbraw/zinc/28/72/59/389287259.db2.gz RXHHQFDTHHHIIZ-UHFFFAOYSA-N 2 2 252.362 0.357 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263002459 389297461 /nfs/dbraw/zinc/29/74/61/389297461.db2.gz OXJMWHMMTRATIZ-DVVUODLYSA-N 2 2 273.327 0.583 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366477504 389302767 /nfs/dbraw/zinc/30/27/67/389302767.db2.gz AVDAKCXHASXDPM-RISCZKNCSA-N 2 2 282.388 0.248 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366477504 389302770 /nfs/dbraw/zinc/30/27/70/389302770.db2.gz AVDAKCXHASXDPM-RISCZKNCSA-N 2 2 282.388 0.248 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366477504 389302772 /nfs/dbraw/zinc/30/27/72/389302772.db2.gz AVDAKCXHASXDPM-RISCZKNCSA-N 2 2 282.388 0.248 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366477504 389302773 /nfs/dbraw/zinc/30/27/73/389302773.db2.gz AVDAKCXHASXDPM-RISCZKNCSA-N 2 2 282.388 0.248 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000332801915 389374397 /nfs/dbraw/zinc/37/43/97/389374397.db2.gz ZRXVDZPXEYVPRL-RYUDHWBXSA-N 2 2 292.383 0.352 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000332801915 389374399 /nfs/dbraw/zinc/37/43/99/389374399.db2.gz ZRXVDZPXEYVPRL-RYUDHWBXSA-N 2 2 292.383 0.352 20 0 CCADLP C[C@H]1C[N@H+](CCN2CC[C@]3(CC[NH+](C)C3)C2)CCO1 ZINC000368351283 389376534 /nfs/dbraw/zinc/37/65/34/389376534.db2.gz DFNNPGFVUXJJOH-GJZGRUSLSA-N 2 2 267.417 0.735 20 0 CCADLP C[C@H]1C[N@@H+](CCN2CC[C@]3(CC[NH+](C)C3)C2)CCO1 ZINC000368351283 389376535 /nfs/dbraw/zinc/37/65/35/389376535.db2.gz DFNNPGFVUXJJOH-GJZGRUSLSA-N 2 2 267.417 0.735 20 0 CCADLP C[C@H]1C[NH+](CCN2CC[C@]3(CC[N@H+](C)C3)C2)CCO1 ZINC000368351283 389376537 /nfs/dbraw/zinc/37/65/37/389376537.db2.gz DFNNPGFVUXJJOH-GJZGRUSLSA-N 2 2 267.417 0.735 20 0 CCADLP C[C@H]1C[NH+](CCN2CC[C@]3(CC[N@@H+](C)C3)C2)CCO1 ZINC000368351283 389376538 /nfs/dbraw/zinc/37/65/38/389376538.db2.gz DFNNPGFVUXJJOH-GJZGRUSLSA-N 2 2 267.417 0.735 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000369276752 389393012 /nfs/dbraw/zinc/39/30/12/389393012.db2.gz IOIAISQFFKLZAA-AWEZNQCLSA-N 3 2 296.459 0.611 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000369276752 389393017 /nfs/dbraw/zinc/39/30/17/389393017.db2.gz IOIAISQFFKLZAA-AWEZNQCLSA-N 3 2 296.459 0.611 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369276752 389393020 /nfs/dbraw/zinc/39/30/20/389393020.db2.gz IOIAISQFFKLZAA-AWEZNQCLSA-N 3 2 296.459 0.611 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369276752 389393022 /nfs/dbraw/zinc/39/30/22/389393022.db2.gz IOIAISQFFKLZAA-AWEZNQCLSA-N 3 2 296.459 0.611 20 0 CCADLP Cn1ccnc1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000162001609 389413444 /nfs/dbraw/zinc/41/34/44/389413444.db2.gz VZSOQOZAKOYUBV-UHFFFAOYSA-N 2 2 265.405 0.489 20 0 CCADLP Cn1ccnc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000162001609 389413447 /nfs/dbraw/zinc/41/34/47/389413447.db2.gz VZSOQOZAKOYUBV-UHFFFAOYSA-N 2 2 265.405 0.489 20 0 CCADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)[C@H]1COCC[NH2+]1 ZINC000159145041 389360465 /nfs/dbraw/zinc/36/04/65/389360465.db2.gz HBZCXQOOUVVGOP-CYBMUJFWSA-N 2 2 290.367 0.286 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000422733212 389461268 /nfs/dbraw/zinc/46/12/68/389461268.db2.gz QJUDLFPLICIHQN-STQMWFEESA-N 2 2 298.431 0.171 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000422733212 389461271 /nfs/dbraw/zinc/46/12/71/389461271.db2.gz QJUDLFPLICIHQN-STQMWFEESA-N 2 2 298.431 0.171 20 0 CCADLP C[C@@H](N[C@@H](C)[C@H](C)[NH+]1CCOCC1)[C@H]1CCC[NH2+]1 ZINC000422745872 389465148 /nfs/dbraw/zinc/46/51/48/389465148.db2.gz VWGYCUDAIPNXBN-RFQIPJPRSA-N 2 2 255.406 0.826 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000422750284 389466566 /nfs/dbraw/zinc/46/65/66/389466566.db2.gz CQKBCKNMKYEEMN-QLFBSQMISA-N 2 2 297.443 0.992 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000422750284 389466569 /nfs/dbraw/zinc/46/65/69/389466569.db2.gz CQKBCKNMKYEEMN-QLFBSQMISA-N 2 2 297.443 0.992 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC(C)(C)N1CCOCC1 ZINC000422755142 389468178 /nfs/dbraw/zinc/46/81/78/389468178.db2.gz KGZSAJMXNBASNP-OLZOCXBDSA-N 2 2 255.406 0.685 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422762103 389469798 /nfs/dbraw/zinc/46/97/98/389469798.db2.gz NKTOEXXBEUKKQL-IZGVIRRGSA-N 2 2 295.427 0.887 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422762103 389469800 /nfs/dbraw/zinc/46/98/00/389469800.db2.gz NKTOEXXBEUKKQL-IZGVIRRGSA-N 2 2 295.427 0.887 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)NCC[N@@H+](C)C1CC1)CC2 ZINC000373301796 389471762 /nfs/dbraw/zinc/47/17/62/389471762.db2.gz LNIJMWHSLMOAFM-UHFFFAOYSA-N 2 2 277.372 0.811 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)NCC[N@H+](C)C1CC1)CC2 ZINC000373301796 389471766 /nfs/dbraw/zinc/47/17/66/389471766.db2.gz LNIJMWHSLMOAFM-UHFFFAOYSA-N 2 2 277.372 0.811 20 0 CCADLP C[C@@H]([NH2+]Cc1cccc(OCC(N)=O)c1)[C@@H]1CCC[NH2+]1 ZINC000422789625 389476194 /nfs/dbraw/zinc/47/61/94/389476194.db2.gz OPVVNLNUTIQQOP-RISCZKNCSA-N 2 2 277.368 0.781 20 0 CCADLP C[C@@H]([NH3+])CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000422791991 389476942 /nfs/dbraw/zinc/47/69/42/389476942.db2.gz YYKKZONVNOQIJZ-YPMHNXCESA-N 2 2 269.389 0.483 20 0 CCADLP C[C@@H]([NH3+])CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000422791991 389476946 /nfs/dbraw/zinc/47/69/46/389476946.db2.gz YYKKZONVNOQIJZ-YPMHNXCESA-N 2 2 269.389 0.483 20 0 CCADLP CC(C)[C@H](C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1)N1CCOCC1 ZINC000422809864 389479064 /nfs/dbraw/zinc/47/90/64/389479064.db2.gz SNDHGMOONOVSON-PMPSAXMXSA-N 2 2 299.459 0.700 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)c1ccco1)[C@@H]1CCC[NH2+]1 ZINC000422807439 389479652 /nfs/dbraw/zinc/47/96/52/389479652.db2.gz OWTPKRHOJQRGFZ-QWRGUYRKSA-N 2 2 251.330 0.740 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000422823220 389483021 /nfs/dbraw/zinc/48/30/21/389483021.db2.gz CUDVXRLEDUSFOH-TZMCWYRMSA-N 2 2 283.416 0.459 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000422823220 389483023 /nfs/dbraw/zinc/48/30/23/389483023.db2.gz CUDVXRLEDUSFOH-TZMCWYRMSA-N 2 2 283.416 0.459 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)CCc2c[nH+]cn2C)CC[N@H+]1C ZINC000334402820 389486590 /nfs/dbraw/zinc/48/65/90/389486590.db2.gz OLHDYDIOIDSENZ-NEPJUHHUSA-N 2 2 264.373 0.904 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)CCc2c[nH+]cn2C)CC[N@@H+]1C ZINC000334402820 389486595 /nfs/dbraw/zinc/48/65/95/389486595.db2.gz OLHDYDIOIDSENZ-NEPJUHHUSA-N 2 2 264.373 0.904 20 0 CCADLP c1nn[nH]c1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000333554649 389424056 /nfs/dbraw/zinc/42/40/56/389424056.db2.gz NCOMMBDLGHPVSR-UHFFFAOYSA-N 2 2 279.388 0.739 20 0 CCADLP c1[nH]nnc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000333554649 389424058 /nfs/dbraw/zinc/42/40/58/389424058.db2.gz NCOMMBDLGHPVSR-UHFFFAOYSA-N 2 2 279.388 0.739 20 0 CCADLP c1n[nH]nc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000333554649 389424062 /nfs/dbraw/zinc/42/40/62/389424062.db2.gz NCOMMBDLGHPVSR-UHFFFAOYSA-N 2 2 279.388 0.739 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000422689992 389452880 /nfs/dbraw/zinc/45/28/80/389452880.db2.gz FZIWJTCRKFYUMM-CHWSQXEVSA-N 2 2 269.389 0.437 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000422689992 389452883 /nfs/dbraw/zinc/45/28/83/389452883.db2.gz FZIWJTCRKFYUMM-CHWSQXEVSA-N 2 2 269.389 0.437 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCC1([NH3+])CCCCC1 ZINC000422704065 389455101 /nfs/dbraw/zinc/45/51/01/389455101.db2.gz OLUUFFBAJJMRTN-UHFFFAOYSA-N 2 2 298.431 0.221 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCC1([NH3+])CCCCC1 ZINC000422704065 389455104 /nfs/dbraw/zinc/45/51/04/389455104.db2.gz OLUUFFBAJJMRTN-UHFFFAOYSA-N 2 2 298.431 0.221 20 0 CCADLP Cc1cc(CNC(=O)C(=O)N2CC[NH2+][C@H](C)C2)cc(C)[nH+]1 ZINC000422974107 389513537 /nfs/dbraw/zinc/51/35/37/389513537.db2.gz QKVKSZDTLXSINC-GFCCVEGCSA-N 2 2 290.367 0.135 20 0 CCADLP OCCC1(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CCC1 ZINC000422989573 389518015 /nfs/dbraw/zinc/51/80/15/389518015.db2.gz LWCVWRQVCPVXJR-KGLIPLIRSA-N 2 2 268.401 0.896 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000423029228 389525008 /nfs/dbraw/zinc/52/50/08/389525008.db2.gz HTOSCTKLVGLUTJ-AAVRWANBSA-N 2 2 255.406 0.826 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000423029228 389525009 /nfs/dbraw/zinc/52/50/09/389525009.db2.gz HTOSCTKLVGLUTJ-AAVRWANBSA-N 2 2 255.406 0.826 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCN(C)[C@@H]1C ZINC000423029228 389525010 /nfs/dbraw/zinc/52/50/10/389525010.db2.gz HTOSCTKLVGLUTJ-AAVRWANBSA-N 2 2 255.406 0.826 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@@H](C)[NH+](CC)CC ZINC000423089191 389532397 /nfs/dbraw/zinc/53/23/97/389532397.db2.gz UOPCXPCTKSWQFG-FRRDWIJNSA-N 2 2 271.405 0.600 20 0 CCADLP COC[C@H]([NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)[C@H]1CCCO1 ZINC000423089768 389533127 /nfs/dbraw/zinc/53/31/27/389533127.db2.gz VWNKLMQDKBWKFD-YIYPIFLZSA-N 2 2 272.389 0.537 20 0 CCADLP C[C@H]([NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)[C@H]1CCC[NH2+]1 ZINC000423109701 389536168 /nfs/dbraw/zinc/53/61/68/389536168.db2.gz SXOOMVUTJKVJDF-LOWDOPEQSA-N 2 2 258.406 0.875 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1N[C@H](C)C[N@H+](C)C(C)C ZINC000423122701 389538788 /nfs/dbraw/zinc/53/87/88/389538788.db2.gz KZQZTXNGAOZUDH-UPJWGTAASA-N 2 2 271.405 0.598 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1N[C@H](C)C[N@@H+](C)C(C)C ZINC000423122701 389538792 /nfs/dbraw/zinc/53/87/92/389538792.db2.gz KZQZTXNGAOZUDH-UPJWGTAASA-N 2 2 271.405 0.598 20 0 CCADLP CCS(=O)(=O)CCC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423173812 389548112 /nfs/dbraw/zinc/54/81/12/389548112.db2.gz ADNZUXVNJLYTQP-NWDGAFQWSA-N 2 2 262.419 0.931 20 0 CCADLP C[NH2+]CC[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000423242163 389556330 /nfs/dbraw/zinc/55/63/30/389556330.db2.gz IQVULYHBNUTGOU-SECBINFHSA-N 2 2 288.189 0.808 20 0 CCADLP CN(CCCn1cc[nH+]c1)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000278370764 389559492 /nfs/dbraw/zinc/55/94/92/389559492.db2.gz KXSQYXTZPSPFKA-UHFFFAOYSA-N 2 2 286.343 0.669 20 0 CCADLP CCCC[C@H](C[NH3+])N[C@H]1CC[NH2+][C@@H]1C(=O)OCC ZINC000423294895 389559751 /nfs/dbraw/zinc/55/97/51/389559751.db2.gz DCOKEZNKNOBIJW-WOPDTQHZSA-N 2 2 257.378 0.387 20 0 CCADLP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCN[C@@H]1C(=O)OCC ZINC000423294895 389559756 /nfs/dbraw/zinc/55/97/56/389559756.db2.gz DCOKEZNKNOBIJW-WOPDTQHZSA-N 2 2 257.378 0.387 20 0 CCADLP C[C@@H]([NH2+]Cc1ccc(C(N)=O)nc1)[C@H]1CCCC[NH2+]1 ZINC000422868660 389496224 /nfs/dbraw/zinc/49/62/24/389496224.db2.gz VHCIYRLATRRXBJ-ZYHUDNBSSA-N 2 2 262.357 0.801 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000422867294 389496474 /nfs/dbraw/zinc/49/64/74/389496474.db2.gz RZYLYCGXRQVCEC-HZSPNIEDSA-N 2 2 283.416 0.731 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000422867294 389496477 /nfs/dbraw/zinc/49/64/77/389496477.db2.gz RZYLYCGXRQVCEC-HZSPNIEDSA-N 2 2 283.416 0.731 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3C[C@@H]3[NH3+])CC2)CC1 ZINC000424156649 389620550 /nfs/dbraw/zinc/62/05/50/389620550.db2.gz OKLDIXIJQGVGMX-KGLIPLIRSA-N 3 2 280.416 0.008 20 0 CCADLP CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@H]1CCC[N@@H+](C)C1 ZINC000336320628 389631918 /nfs/dbraw/zinc/63/19/18/389631918.db2.gz DYMGLCKIQHUPHN-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000414755990 389635647 /nfs/dbraw/zinc/63/56/47/389635647.db2.gz IPIDCVLRLGUQEP-ZDEQEGDKSA-N 2 2 253.390 0.946 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000414755990 389635652 /nfs/dbraw/zinc/63/56/52/389635652.db2.gz IPIDCVLRLGUQEP-ZDEQEGDKSA-N 2 2 253.390 0.946 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000414767130 389636354 /nfs/dbraw/zinc/63/63/54/389636354.db2.gz SEKWIFFDWATANL-UONOGXRCSA-N 3 2 284.448 0.679 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000414767130 389636356 /nfs/dbraw/zinc/63/63/56/389636356.db2.gz SEKWIFFDWATANL-UONOGXRCSA-N 3 2 284.448 0.679 20 0 CCADLP CCOC(=O)Cn1nc(C)c(C[N@@H+]2CC[C@H]([NH3+])[C@H]2C)c1C ZINC000414780719 389637558 /nfs/dbraw/zinc/63/75/58/389637558.db2.gz HBNJZGRASMOESY-OCCSQVGLSA-N 2 2 294.399 0.985 20 0 CCADLP CCOC(=O)Cn1nc(C)c(C[N@H+]2CC[C@H]([NH3+])[C@H]2C)c1C ZINC000414780719 389637560 /nfs/dbraw/zinc/63/75/60/389637560.db2.gz HBNJZGRASMOESY-OCCSQVGLSA-N 2 2 294.399 0.985 20 0 CCADLP CC[N@H+](CC(=O)NCC[NH+]1CCOC(C)(C)C1)C1CC1 ZINC000179165138 389642297 /nfs/dbraw/zinc/64/22/97/389642297.db2.gz APIJCHHNYUJEFR-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP CC[N@@H+](CC(=O)NCC[NH+]1CCOC(C)(C)C1)C1CC1 ZINC000179165138 389642299 /nfs/dbraw/zinc/64/22/99/389642299.db2.gz APIJCHHNYUJEFR-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+](CC(=O)NCC[N@@H+]1CCOC(C)(C)C1)C1CC1 ZINC000179165138 389642300 /nfs/dbraw/zinc/64/23/00/389642300.db2.gz APIJCHHNYUJEFR-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+](CC(=O)NCC[N@H+]1CCOC(C)(C)C1)C1CC1 ZINC000179165138 389642303 /nfs/dbraw/zinc/64/23/03/389642303.db2.gz APIJCHHNYUJEFR-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP COC(=O)CCn1nc(C)c(C[NH2+]C[C@H]([NH3+])C2CC2)c1C ZINC000414898753 389643780 /nfs/dbraw/zinc/64/37/80/389643780.db2.gz TXTFXJUYNHRNGB-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@@H+]1CCOCC1(C)C)[C@H](C)[NH3+] ZINC000423365442 389574145 /nfs/dbraw/zinc/57/41/45/389574145.db2.gz BTLQBNWERQGBHP-QWHCGFSZSA-N 2 2 285.432 0.833 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@H+]1CCOCC1(C)C)[C@H](C)[NH3+] ZINC000423365442 389574148 /nfs/dbraw/zinc/57/41/48/389574148.db2.gz BTLQBNWERQGBHP-QWHCGFSZSA-N 2 2 285.432 0.833 20 0 CCADLP Cc1nocc1C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000351480038 389588102 /nfs/dbraw/zinc/58/81/02/389588102.db2.gz PTPPLBWPBHOLSV-UHFFFAOYSA-N 2 2 253.346 0.872 20 0 CCADLP Cc1nocc1C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000351480038 389588104 /nfs/dbraw/zinc/58/81/04/389588104.db2.gz PTPPLBWPBHOLSV-UHFFFAOYSA-N 2 2 253.346 0.872 20 0 CCADLP CC(C)[C@H](C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)[C@H](C)[NH3+] ZINC000423456261 389589652 /nfs/dbraw/zinc/58/96/52/389589652.db2.gz NQZKSSHABQNCPA-JSGCOSHPSA-N 2 2 293.415 0.673 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H]1C(=O)NC1CC1)C1CC1 ZINC000351490386 389591039 /nfs/dbraw/zinc/59/10/39/389591039.db2.gz LEZDKJQZRYFNTB-KBPBESRZSA-N 2 2 281.400 0.185 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H]1C(=O)NC1CC1)C1CC1 ZINC000351490386 389591042 /nfs/dbraw/zinc/59/10/42/389591042.db2.gz LEZDKJQZRYFNTB-KBPBESRZSA-N 2 2 281.400 0.185 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H]1C(=O)NC1CC1)C1CC1 ZINC000351490386 389591046 /nfs/dbraw/zinc/59/10/46/389591046.db2.gz LEZDKJQZRYFNTB-KBPBESRZSA-N 2 2 281.400 0.185 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H]1C(=O)NC1CC1)C1CC1 ZINC000351490386 389591050 /nfs/dbraw/zinc/59/10/50/389591050.db2.gz LEZDKJQZRYFNTB-KBPBESRZSA-N 2 2 281.400 0.185 20 0 CCADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000423481569 389593111 /nfs/dbraw/zinc/59/31/11/389593111.db2.gz WWYOVHABFJROJR-PWSUYJOCSA-N 2 2 285.413 0.983 20 0 CCADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccc2c(c1)OCO2 ZINC000423483645 389594225 /nfs/dbraw/zinc/59/42/25/389594225.db2.gz SQQUDBFBUPBRGT-DGCLKSJQSA-N 2 2 277.368 0.970 20 0 CCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C1CCOCC1 ZINC000178070443 389595838 /nfs/dbraw/zinc/59/58/38/389595838.db2.gz ZZHAMXGVSNINOM-GFCCVEGCSA-N 2 2 269.389 0.165 20 0 CCADLP CN(C(=O)[C@H]1CCC[N@@H+]1C)C(C)(C)C[NH+]1CCOCC1 ZINC000414051102 389598304 /nfs/dbraw/zinc/59/83/04/389598304.db2.gz LIWJAMNYCJEPJC-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP CN(C(=O)[C@H]1CCC[N@H+]1C)C(C)(C)C[NH+]1CCOCC1 ZINC000414051102 389598309 /nfs/dbraw/zinc/59/83/09/389598309.db2.gz LIWJAMNYCJEPJC-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP CO[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000374691625 389600812 /nfs/dbraw/zinc/60/08/12/389600812.db2.gz DTVHMSYKVPAEGQ-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP CNC(=O)CC1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351512538 389600764 /nfs/dbraw/zinc/60/07/64/389600764.db2.gz GKUPGSDIIIYGNL-CQSZACIVSA-N 2 2 283.416 0.290 20 0 CCADLP CNC(=O)CC1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351512538 389600767 /nfs/dbraw/zinc/60/07/67/389600767.db2.gz GKUPGSDIIIYGNL-CQSZACIVSA-N 2 2 283.416 0.290 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000423539699 389601575 /nfs/dbraw/zinc/60/15/75/389601575.db2.gz BYAMEWACHZBWCL-HZSPNIEDSA-N 2 2 283.416 0.602 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000423539699 389601580 /nfs/dbraw/zinc/60/15/80/389601580.db2.gz BYAMEWACHZBWCL-HZSPNIEDSA-N 2 2 283.416 0.602 20 0 CCADLP COCCn1cc(C[NH2+][C@@H]2CCCC[NH2+]C2)cn1 ZINC000415065924 389654555 /nfs/dbraw/zinc/65/45/55/389654555.db2.gz HWSGIYMOZYVJSY-CYBMUJFWSA-N 2 2 252.362 0.761 20 0 CCADLP c1ccc(N2CCOCC2)c(C[NH2+]C[C@H]2C[NH2+]CCO2)c1 ZINC000415096218 389658515 /nfs/dbraw/zinc/65/85/15/389658515.db2.gz PKCDNFBZOCQIQM-OAHLLOKOSA-N 2 2 291.395 0.601 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000426186688 389662500 /nfs/dbraw/zinc/66/25/00/389662500.db2.gz LJLRUWIVMNNQLD-KKUMJFAQSA-N 2 2 295.427 0.507 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000426186688 389662503 /nfs/dbraw/zinc/66/25/03/389662503.db2.gz LJLRUWIVMNNQLD-KKUMJFAQSA-N 2 2 295.427 0.507 20 0 CCADLP C[C@H]1CC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)CS1(=O)=O ZINC000657637850 413041688 /nfs/dbraw/zinc/04/16/88/413041688.db2.gz KKZAMYZNCOYIKD-QWRGUYRKSA-N 2 2 283.397 0.885 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ncc[nH]1 ZINC000180963182 389678726 /nfs/dbraw/zinc/67/87/26/389678726.db2.gz BXPXSEFUTIDIEN-UHFFFAOYSA-N 3 2 265.405 0.868 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ncc[nH]1 ZINC000180963182 389678728 /nfs/dbraw/zinc/67/87/28/389678728.db2.gz BXPXSEFUTIDIEN-UHFFFAOYSA-N 3 2 265.405 0.868 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1[nH]cc[nH+]1 ZINC000180963182 389678730 /nfs/dbraw/zinc/67/87/30/389678730.db2.gz BXPXSEFUTIDIEN-UHFFFAOYSA-N 3 2 265.405 0.868 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1[nH]cc[nH+]1 ZINC000180963182 389678733 /nfs/dbraw/zinc/67/87/33/389678733.db2.gz BXPXSEFUTIDIEN-UHFFFAOYSA-N 3 2 265.405 0.868 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428347692 389693244 /nfs/dbraw/zinc/69/32/44/389693244.db2.gz RQGJGRPVHNLYKE-LLVKDONJSA-N 2 2 250.346 0.656 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428347692 389693247 /nfs/dbraw/zinc/69/32/47/389693247.db2.gz RQGJGRPVHNLYKE-LLVKDONJSA-N 2 2 250.346 0.656 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351862761 389702933 /nfs/dbraw/zinc/70/29/33/389702933.db2.gz QKCAJQMLUUMSIE-NEPJUHHUSA-N 2 2 262.419 0.869 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351862761 389702936 /nfs/dbraw/zinc/70/29/36/389702936.db2.gz QKCAJQMLUUMSIE-NEPJUHHUSA-N 2 2 262.419 0.869 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCC2)[C@@H](C)C1 ZINC000429805279 389771670 /nfs/dbraw/zinc/77/16/70/389771670.db2.gz HYJQICKRKUPWCW-QWHCGFSZSA-N 2 2 253.390 0.881 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCC2)[C@@H](C)C1 ZINC000429805279 389771673 /nfs/dbraw/zinc/77/16/73/389771673.db2.gz HYJQICKRKUPWCW-QWHCGFSZSA-N 2 2 253.390 0.881 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCC2)[C@@H](C)C1 ZINC000429805279 389771676 /nfs/dbraw/zinc/77/16/76/389771676.db2.gz HYJQICKRKUPWCW-QWHCGFSZSA-N 2 2 253.390 0.881 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCC2)[C@@H](C)C1 ZINC000429805279 389771679 /nfs/dbraw/zinc/77/16/79/389771679.db2.gz HYJQICKRKUPWCW-QWHCGFSZSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2CCOCC2)[C@@H](C)C[NH2+]1 ZINC000416814408 389772748 /nfs/dbraw/zinc/77/27/48/389772748.db2.gz GTLHTSCVLPNZRT-OLZOCXBDSA-N 2 2 298.431 0.489 20 0 CCADLP [NH3+]CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000416820049 389773616 /nfs/dbraw/zinc/77/36/16/389773616.db2.gz KEHRVWMCEWSRKR-NSHDSACASA-N 2 2 298.412 0.379 20 0 CCADLP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000416838627 389775229 /nfs/dbraw/zinc/77/52/29/389775229.db2.gz CGJIVMCKFOHNTQ-VXGBXAGGSA-N 2 2 265.361 0.700 20 0 CCADLP [NH3+][C@@H](CNC(=O)NCc1cn2ccccc2[nH+]1)C1CC1 ZINC000416866010 389776954 /nfs/dbraw/zinc/77/69/54/389776954.db2.gz FXLPUPDORLUCLY-LBPRGKRZSA-N 2 2 273.340 0.871 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000416867295 389777731 /nfs/dbraw/zinc/77/77/31/389777731.db2.gz HPQGVIOGIMBPSN-ZJUUUORDSA-N 2 2 261.329 0.869 20 0 CCADLP C[NH2+]CCCNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000416866859 389777761 /nfs/dbraw/zinc/77/77/61/389777761.db2.gz GZOGOWBWDZWKBV-UHFFFAOYSA-N 2 2 261.329 0.743 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416951122 389784054 /nfs/dbraw/zinc/78/40/54/389784054.db2.gz HZGWMOBJIUEAHV-QWHCGFSZSA-N 2 2 292.383 0.731 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000416951122 389784058 /nfs/dbraw/zinc/78/40/58/389784058.db2.gz HZGWMOBJIUEAHV-QWHCGFSZSA-N 2 2 292.383 0.731 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@@H]([NH3+])C1CCC1)[NH+]1CCN(C)CC1 ZINC000398964240 389787130 /nfs/dbraw/zinc/78/71/30/389787130.db2.gz PMWMTATVHPELQI-GJZGRUSLSA-N 2 2 296.459 0.502 20 0 CCADLP CN(C)c1ccc(CNC(=O)N2CC[NH2+]CC2)c[nH+]1 ZINC000416999344 389787504 /nfs/dbraw/zinc/78/75/04/389787504.db2.gz CAVABCCEOJKMJO-UHFFFAOYSA-N 2 2 263.345 0.262 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000417008445 389789278 /nfs/dbraw/zinc/78/92/78/389789278.db2.gz ISFPUKACSQBBIF-ZJUUUORDSA-N 2 2 265.361 0.683 20 0 CCADLP [NH3+][C@@H](C(=O)N1CC[NH+](Cc2cccnc2)CC1)C1CCC1 ZINC000399188567 389789414 /nfs/dbraw/zinc/78/94/14/389789414.db2.gz OTLJDLVOXIUQCM-OAHLLOKOSA-N 2 2 288.395 0.853 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000417019485 389790550 /nfs/dbraw/zinc/79/05/50/389790550.db2.gz GJTUWMUHMSNRDQ-FRRDWIJNSA-N 2 2 284.404 0.086 20 0 CCADLP CN(CC[NH+](C)C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000430262550 389791119 /nfs/dbraw/zinc/79/11/19/389791119.db2.gz WEKHVLLUDXTWMI-NSHDSACASA-N 2 2 265.361 0.401 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000417040161 389791693 /nfs/dbraw/zinc/79/16/93/389791693.db2.gz VSPZHARYLBFFOO-AGIUHOORSA-N 2 2 284.404 0.086 20 0 CCADLP C[C@H]1CN(C(=O)NCCCNc2cccc[nH+]2)CC[NH2+]1 ZINC000417083936 389795121 /nfs/dbraw/zinc/79/51/21/389795121.db2.gz UXXYPNAJQYHDDU-LBPRGKRZSA-N 2 2 277.372 0.887 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)CC1 ZINC000183176567 389726166 /nfs/dbraw/zinc/72/61/66/389726166.db2.gz JALBNIPBCSYZMO-MRXNPFEDSA-N 3 2 291.443 0.985 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)CC1 ZINC000183176567 389726171 /nfs/dbraw/zinc/72/61/71/389726171.db2.gz JALBNIPBCSYZMO-MRXNPFEDSA-N 3 2 291.443 0.985 20 0 CCADLP C[C@@H]1CCCN(C(=O)NCC[NH+]2CCOCC2)[C@H]1C[NH3+] ZINC000416432607 389742669 /nfs/dbraw/zinc/74/26/69/389742669.db2.gz LHYLDPGAXIWBQK-OLZOCXBDSA-N 2 2 284.404 0.087 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)NCCCn1cc[nH+]c1 ZINC000416432880 389742682 /nfs/dbraw/zinc/74/26/82/389742682.db2.gz MINWZTLUZKMHNA-NSHDSACASA-N 2 2 253.350 0.556 20 0 CCADLP CC(C)C[C@@H](C[NH3+])NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000416435361 389743354 /nfs/dbraw/zinc/74/33/54/389743354.db2.gz ZMNYYQUSRSJQPN-NEPJUHHUSA-N 2 2 267.377 0.944 20 0 CCADLP Cc1ccn2cc(CNC(=O)N3CC[NH2+]CC3)[nH+]c2c1 ZINC000417251833 389806529 /nfs/dbraw/zinc/80/65/29/389806529.db2.gz ZSEYUDGKJCRBIJ-UHFFFAOYSA-N 2 2 273.340 0.758 20 0 CCADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC000430548673 389806755 /nfs/dbraw/zinc/80/67/55/389806755.db2.gz HDIZEHBBADMQMF-ZDUSSCGKSA-N 2 2 272.393 0.574 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000430568560 389808506 /nfs/dbraw/zinc/80/85/06/389808506.db2.gz HMMHFSOLYWWHMS-KGLIPLIRSA-N 3 2 296.459 0.646 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000430568560 389808508 /nfs/dbraw/zinc/80/85/08/389808508.db2.gz HMMHFSOLYWWHMS-KGLIPLIRSA-N 3 2 296.459 0.646 20 0 CCADLP CNS(=O)(=O)CCC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000430583505 389809889 /nfs/dbraw/zinc/80/98/89/389809889.db2.gz MQJQCEIBKAATRV-UHFFFAOYSA-N 2 2 289.445 0.390 20 0 CCADLP C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430598424 389811477 /nfs/dbraw/zinc/81/14/77/389811477.db2.gz DANKCHDQWCJUPL-QWRGUYRKSA-N 2 2 263.345 0.474 20 0 CCADLP C[C@@H](C(=O)Nc1ncccn1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430598424 389811479 /nfs/dbraw/zinc/81/14/79/389811479.db2.gz DANKCHDQWCJUPL-QWRGUYRKSA-N 2 2 263.345 0.474 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000430608454 389812034 /nfs/dbraw/zinc/81/20/34/389812034.db2.gz FKKQUZRGWYPXIP-CYBMUJFWSA-N 2 2 290.367 0.436 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000430608454 389812037 /nfs/dbraw/zinc/81/20/37/389812037.db2.gz FKKQUZRGWYPXIP-CYBMUJFWSA-N 2 2 290.367 0.436 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCCN1CCOCC1 ZINC000430614740 389813087 /nfs/dbraw/zinc/81/30/87/389813087.db2.gz AGKBSVQMMMYEDH-KGLIPLIRSA-N 2 2 255.406 0.910 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCCN1CCOCC1 ZINC000430614740 389813088 /nfs/dbraw/zinc/81/30/88/389813088.db2.gz AGKBSVQMMMYEDH-KGLIPLIRSA-N 2 2 255.406 0.910 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCCCN1CCC[NH+]1CCOCC1 ZINC000430614740 389813090 /nfs/dbraw/zinc/81/30/90/389813090.db2.gz AGKBSVQMMMYEDH-KGLIPLIRSA-N 2 2 255.406 0.910 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)N2CCC(C[NH3+])CC2)CCO1 ZINC000417412823 389814214 /nfs/dbraw/zinc/81/42/14/389814214.db2.gz FXYKEIZUDPALPL-UHFFFAOYSA-N 2 2 298.431 0.478 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)N2CCC(C[NH3+])CC2)CCO1 ZINC000417412823 389814215 /nfs/dbraw/zinc/81/42/15/389814215.db2.gz FXYKEIZUDPALPL-UHFFFAOYSA-N 2 2 298.431 0.478 20 0 CCADLP CCC[NH2+]CCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000417422419 389815024 /nfs/dbraw/zinc/81/50/24/389815024.db2.gz KYCXKJLKAOQXLE-UHFFFAOYSA-N 2 2 286.420 0.396 20 0 CCADLP CCC[NH2+]CCNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000417422419 389815028 /nfs/dbraw/zinc/81/50/28/389815028.db2.gz KYCXKJLKAOQXLE-UHFFFAOYSA-N 2 2 286.420 0.396 20 0 CCADLP C[C@@H]1CCN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)[C@H](C[NH3+])C1 ZINC000417515981 389824216 /nfs/dbraw/zinc/82/42/16/389824216.db2.gz MJMWFQQOEQWTOX-RDBSUJKOSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H]1CCN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)[C@H](C[NH3+])C1 ZINC000417515981 389824220 /nfs/dbraw/zinc/82/42/20/389824220.db2.gz MJMWFQQOEQWTOX-RDBSUJKOSA-N 2 2 298.431 0.476 20 0 CCADLP CC(C)N(C)C(=O)[C@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352525606 389825898 /nfs/dbraw/zinc/82/58/98/389825898.db2.gz HNBGNZYJPZKQQU-KBPBESRZSA-N 2 2 282.432 0.221 20 0 CCADLP C[C@H]([C@H](C)NC(=O)NC[C@H]([NH3+])C1CC1)[NH+]1CCOCC1 ZINC000417527357 389826867 /nfs/dbraw/zinc/82/68/67/389826867.db2.gz VLHUNQYUAQZUKD-LOWVWBTDSA-N 2 2 284.404 0.132 20 0 CCADLP C[C@@H](NC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000417529073 389827244 /nfs/dbraw/zinc/82/72/44/389827244.db2.gz WZQYSFBAIQGRQG-SYQHCUMBSA-N 2 2 298.431 0.487 20 0 CCADLP C[C@@H]1CN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)[C@H](C)C[NH2+]1 ZINC000417527058 389827340 /nfs/dbraw/zinc/82/73/40/389827340.db2.gz NRWOWWIQGWRELZ-UPJWGTAASA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H]1CN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)[C@H](C)C[NH2+]1 ZINC000417527058 389827343 /nfs/dbraw/zinc/82/73/43/389827343.db2.gz NRWOWWIQGWRELZ-UPJWGTAASA-N 2 2 284.404 0.099 20 0 CCADLP COc1ccccc1[C@H]([NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000430837388 389828555 /nfs/dbraw/zinc/82/85/55/389828555.db2.gz JUDPFLSWZNFNNX-AWEZNQCLSA-N 2 2 293.367 0.143 20 0 CCADLP CC(C)([NH3+])C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000430878042 389830279 /nfs/dbraw/zinc/83/02/79/389830279.db2.gz GNEMBMGTFYJPIM-UHFFFAOYSA-N 2 2 264.251 0.799 20 0 CCADLP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H]1COCC[NH2+]1 ZINC000430878316 389830602 /nfs/dbraw/zinc/83/06/02/389830602.db2.gz IHUWUAPIBRNDMP-JHJVBQTASA-N 2 2 269.389 0.354 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCN1CC[NH+](C)C(C)(C)C1 ZINC000441349013 389831568 /nfs/dbraw/zinc/83/15/68/389831568.db2.gz RRDKNMRPGKBGLI-UONOGXRCSA-N 3 2 268.449 0.552 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCN1CC[NH+](C)C(C)(C)C1 ZINC000441349013 389831572 /nfs/dbraw/zinc/83/15/72/389831572.db2.gz RRDKNMRPGKBGLI-UONOGXRCSA-N 3 2 268.449 0.552 20 0 CCADLP C[C@H]1C[NH+](C)C[C@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000441349013 389831574 /nfs/dbraw/zinc/83/15/74/389831574.db2.gz RRDKNMRPGKBGLI-UONOGXRCSA-N 3 2 268.449 0.552 20 0 CCADLP C[C@H]1C[NH+](C)C[C@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441349013 389831576 /nfs/dbraw/zinc/83/15/76/389831576.db2.gz RRDKNMRPGKBGLI-UONOGXRCSA-N 3 2 268.449 0.552 20 0 CCADLP COCC[C@@]1(C(=O)NCc2[nH+]ccn2C)CC[NH2+]C1 ZINC000430895852 389832268 /nfs/dbraw/zinc/83/22/68/389832268.db2.gz VSSGKVJVEHCCKD-ZDUSSCGKSA-N 2 2 266.345 0.053 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H]2CCN(c3cc(C)nn3C)C2=O)C1 ZINC000430923362 389835123 /nfs/dbraw/zinc/83/51/23/389835123.db2.gz DDERSNAERMJDOZ-STQMWFEESA-N 2 2 291.399 0.375 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H]2CCN(c3cc(C)nn3C)C2=O)C1 ZINC000430923362 389835124 /nfs/dbraw/zinc/83/51/24/389835124.db2.gz DDERSNAERMJDOZ-STQMWFEESA-N 2 2 291.399 0.375 20 0 CCADLP COc1ccc(CNC(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000430962821 389841178 /nfs/dbraw/zinc/84/11/78/389841178.db2.gz IBAOSLPGVXQYKN-IUODEOHRSA-N 2 2 291.395 0.981 20 0 CCADLP COc1ccc(CNC(=O)C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000430962821 389841180 /nfs/dbraw/zinc/84/11/80/389841180.db2.gz IBAOSLPGVXQYKN-IUODEOHRSA-N 2 2 291.395 0.981 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)NC(C2CC2)C2CC2)CC[C@@H]1[NH3+] ZINC000430969169 389841967 /nfs/dbraw/zinc/84/19/67/389841967.db2.gz CDIZLTAVIVPYAS-GWCFXTLKSA-N 2 2 265.401 0.960 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)NC(C2CC2)C2CC2)CC[C@@H]1[NH3+] ZINC000430969169 389841971 /nfs/dbraw/zinc/84/19/71/389841971.db2.gz CDIZLTAVIVPYAS-GWCFXTLKSA-N 2 2 265.401 0.960 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430967910 389842022 /nfs/dbraw/zinc/84/20/22/389842022.db2.gz UTQUNGRVJBQQJA-OUAUKWLOSA-N 2 2 270.377 0.278 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430967910 389842024 /nfs/dbraw/zinc/84/20/24/389842024.db2.gz UTQUNGRVJBQQJA-OUAUKWLOSA-N 2 2 270.377 0.278 20 0 CCADLP C[NH2+]CCCNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000417731815 389847424 /nfs/dbraw/zinc/84/74/24/389847424.db2.gz GKPJZNFZYKCZRX-UHFFFAOYSA-N 2 2 267.377 0.948 20 0 CCADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H](C)[NH3+])CC2)CC1 ZINC000442654289 389853185 /nfs/dbraw/zinc/85/31/85/389853185.db2.gz AXSYYULTWVSAKW-CQSZACIVSA-N 3 2 296.459 0.600 20 0 CCADLP Cc1noc(C)c1C[NH+]1CCN(C[C@H](C)[NH3+])CC1 ZINC000442664562 389854422 /nfs/dbraw/zinc/85/44/22/389854422.db2.gz MLZLJAKZBZPNBA-JTQLQIEISA-N 2 2 252.362 0.756 20 0 CCADLP O=C(C1CC[NH2+]CC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000353715822 389855333 /nfs/dbraw/zinc/85/53/33/389855333.db2.gz WXYOSGCESHAZHD-CQSZACIVSA-N 2 2 281.400 0.309 20 0 CCADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000417846381 389856504 /nfs/dbraw/zinc/85/65/04/389856504.db2.gz TYUYHCJIEDWDGN-VIRWGQHYSA-N 2 2 269.295 0.913 20 0 CCADLP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)C1(C(=O)OC)CCC1 ZINC000354092712 389859054 /nfs/dbraw/zinc/85/90/54/389859054.db2.gz OWNRIRLFAPHACB-ZIAGYGMSSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)C1(C(=O)OC)CCC1 ZINC000354092712 389859056 /nfs/dbraw/zinc/85/90/56/389859056.db2.gz OWNRIRLFAPHACB-ZIAGYGMSSA-N 2 2 297.443 0.944 20 0 CCADLP CCn1c[nH+]cc1C[NH2+][C@H](C(=O)N1CCOCC1)C(C)C ZINC000417948503 389862040 /nfs/dbraw/zinc/86/20/40/389862040.db2.gz SWMIIWGHMUUURL-AWEZNQCLSA-N 2 2 294.399 0.876 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000442799255 389863826 /nfs/dbraw/zinc/86/38/26/389863826.db2.gz ZUSDLIDDHHJUME-UTUOFQBUSA-N 2 2 257.378 0.197 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000442799255 389863829 /nfs/dbraw/zinc/86/38/29/389863829.db2.gz ZUSDLIDDHHJUME-UTUOFQBUSA-N 2 2 257.378 0.197 20 0 CCADLP CCN(CC)c1ccc(CNC(=O)[C@H]2CC[NH2+]2)c[nH+]1 ZINC000444173261 389894744 /nfs/dbraw/zinc/89/47/44/389894744.db2.gz CFQGJZUVLJRCBW-GFCCVEGCSA-N 2 2 262.357 0.906 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCCN(CCCO)C2)n1C ZINC000419715333 389907694 /nfs/dbraw/zinc/90/76/94/389907694.db2.gz VEMHACAYXMTBMV-CYBMUJFWSA-N 2 2 295.431 0.423 20 0 CCADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccnn1C ZINC000447534082 389957170 /nfs/dbraw/zinc/95/71/70/389957170.db2.gz ZUPPQUQXLVLSBX-VXGBXAGGSA-N 2 2 252.362 0.527 20 0 CCADLP Cc1nc(N2CC[C@@H](C)C[C@@H]2C[NH3+])nc(N(C)C)[nH+]1 ZINC000420266096 389975243 /nfs/dbraw/zinc/97/52/43/389975243.db2.gz WQXUFGUNKHCDTF-MWLCHTKSSA-N 2 2 264.377 0.810 20 0 CCADLP C[NH2+]C[C@@H](C)CNc1cc(N2CCOCC2)nc[nH+]1 ZINC000420189085 389963747 /nfs/dbraw/zinc/96/37/47/389963747.db2.gz FUXLPRYVQUZKFF-LLVKDONJSA-N 2 2 265.361 0.581 20 0 CCADLP C[NH2+]C[C@@H](C)CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000420189085 389963750 /nfs/dbraw/zinc/96/37/50/389963750.db2.gz FUXLPRYVQUZKFF-LLVKDONJSA-N 2 2 265.361 0.581 20 0 CCADLP C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000435874129 389964588 /nfs/dbraw/zinc/96/45/88/389964588.db2.gz ZEGCFFXMUKUWOC-GFCCVEGCSA-N 2 2 271.430 0.636 20 0 CCADLP C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000435874129 389964591 /nfs/dbraw/zinc/96/45/91/389964591.db2.gz ZEGCFFXMUKUWOC-GFCCVEGCSA-N 2 2 271.430 0.636 20 0 CCADLP C[C@@H]1CN(c2cc(N3CCSCC3)[nH+]cn2)CC[NH2+]1 ZINC000420196475 389964689 /nfs/dbraw/zinc/96/46/89/389964689.db2.gz LBYIMAMNGWEJHK-LLVKDONJSA-N 2 2 279.413 0.828 20 0 CCADLP C[C@H]1C[NH2+]CCN1c1cc[nH+]c(N2CCOCC2)n1 ZINC000420221400 389967611 /nfs/dbraw/zinc/96/76/11/389967611.db2.gz ZETYDBZLUGTRKK-NSHDSACASA-N 2 2 263.345 0.111 20 0 CCADLP C[C@H]1[C@@H]([NH3+])CCN1c1cc(N2CCSCC2)[nH+]cn1 ZINC000420257414 389974479 /nfs/dbraw/zinc/97/44/79/389974479.db2.gz WIKJDGIRVFDTEF-QWRGUYRKSA-N 2 2 279.413 0.956 20 0 CCADLP COCCO[C@H]1C[C@@H](CO)C[N@H+](CCn2cc[nH+]c2C)C1 ZINC000447395305 389954112 /nfs/dbraw/zinc/95/41/12/389954112.db2.gz IIUBCTLGTSPULB-CABCVRRESA-N 2 2 297.399 0.537 20 0 CCADLP COCCO[C@H]1C[C@@H](CO)C[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000447395305 389954113 /nfs/dbraw/zinc/95/41/13/389954113.db2.gz IIUBCTLGTSPULB-CABCVRRESA-N 2 2 297.399 0.537 20 0 CCADLP CN(C)c1nc(N2CC[NH+](C[C@H]3C[C@@H](O)C3)CC2)cc[nH+]1 ZINC000420913300 390037519 /nfs/dbraw/zinc/03/75/19/390037519.db2.gz IXQHSXHPXGJZLH-BETUJISGSA-N 2 2 291.399 0.436 20 0 CCADLP C[C@H]([NH3+])[C@H](C)Nc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000420274579 389976289 /nfs/dbraw/zinc/97/62/89/389976289.db2.gz YIKPLWCMXQLMTH-SDDRHHMPSA-N 2 2 279.388 0.975 20 0 CCADLP CC(C)[C@@H]1C[N@H+](C)CCN1CCC(=O)N1CC[NH+](C)CC1 ZINC000436486729 389977943 /nfs/dbraw/zinc/97/79/43/389977943.db2.gz ROANBKNHQGFDRS-HNNXBMFYSA-N 2 2 296.459 0.423 20 0 CCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1CCC(=O)N1CC[NH+](C)CC1 ZINC000436486729 389977946 /nfs/dbraw/zinc/97/79/46/389977946.db2.gz ROANBKNHQGFDRS-HNNXBMFYSA-N 2 2 296.459 0.423 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420317423 389982965 /nfs/dbraw/zinc/98/29/65/389982965.db2.gz ONKUWTCKXNHVLI-NCOADZHNSA-N 3 2 289.423 0.459 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420317423 389982966 /nfs/dbraw/zinc/98/29/66/389982966.db2.gz ONKUWTCKXNHVLI-NCOADZHNSA-N 3 2 289.423 0.459 20 0 CCADLP CCCCCNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420324400 389983332 /nfs/dbraw/zinc/98/33/32/389983332.db2.gz ZPWLTRPMDBZDBQ-STQMWFEESA-N 2 2 253.390 0.834 20 0 CCADLP CCCCCNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420324400 389983333 /nfs/dbraw/zinc/98/33/33/389983333.db2.gz ZPWLTRPMDBZDBQ-STQMWFEESA-N 2 2 253.390 0.834 20 0 CCADLP C[N@H+](CC(=O)NC(C1CC1)C1CC1)C1CC([NH3+])C1 ZINC000420325951 389983930 /nfs/dbraw/zinc/98/39/30/389983930.db2.gz DQAYZPPYMULCIV-UHFFFAOYSA-N 2 2 251.374 0.713 20 0 CCADLP C[N@@H+](CC(=O)NC(C1CC1)C1CC1)C1CC([NH3+])C1 ZINC000420325951 389983931 /nfs/dbraw/zinc/98/39/31/389983931.db2.gz DQAYZPPYMULCIV-UHFFFAOYSA-N 2 2 251.374 0.713 20 0 CCADLP C[N@@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)C[C@H](O)C[NH3+] ZINC000420349259 389987684 /nfs/dbraw/zinc/98/76/84/389987684.db2.gz CHDNOKFIAJDYCL-MHCOZEDOSA-N 2 2 295.427 0.323 20 0 CCADLP C[N@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)C[C@H](O)C[NH3+] ZINC000420349259 389987686 /nfs/dbraw/zinc/98/76/86/389987686.db2.gz CHDNOKFIAJDYCL-MHCOZEDOSA-N 2 2 295.427 0.323 20 0 CCADLP C[N@@H+](CC(=O)NCCC1CCCCC1)C[C@@H](O)C[NH3+] ZINC000420349896 389988311 /nfs/dbraw/zinc/98/83/11/389988311.db2.gz FBKBURHCDKOLBF-ZDUSSCGKSA-N 2 2 271.405 0.324 20 0 CCADLP C[N@H+](CC(=O)NCCC1CCCCC1)C[C@@H](O)C[NH3+] ZINC000420349896 389988314 /nfs/dbraw/zinc/98/83/14/389988314.db2.gz FBKBURHCDKOLBF-ZDUSSCGKSA-N 2 2 271.405 0.324 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420351661 389989316 /nfs/dbraw/zinc/98/93/16/389989316.db2.gz ACXKRJSBKZFZMS-OAHLLOKOSA-N 2 2 296.415 0.688 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420351661 389989318 /nfs/dbraw/zinc/98/93/18/389989318.db2.gz ACXKRJSBKZFZMS-OAHLLOKOSA-N 2 2 296.415 0.688 20 0 CCADLP Cc1ccccc1CNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420352848 389989454 /nfs/dbraw/zinc/98/94/54/389989454.db2.gz MVGWPVBNSAKZQR-OCCSQVGLSA-N 2 2 279.384 0.251 20 0 CCADLP Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420352848 389989456 /nfs/dbraw/zinc/98/94/56/389989456.db2.gz MVGWPVBNSAKZQR-OCCSQVGLSA-N 2 2 279.384 0.251 20 0 CCADLP Cc1ccccc1CNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420352846 389989460 /nfs/dbraw/zinc/98/94/60/389989460.db2.gz MVGWPVBNSAKZQR-JSGCOSHPSA-N 2 2 279.384 0.251 20 0 CCADLP Cc1ccccc1CNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420352846 389989463 /nfs/dbraw/zinc/98/94/63/389989463.db2.gz MVGWPVBNSAKZQR-JSGCOSHPSA-N 2 2 279.384 0.251 20 0 CCADLP CC(=O)[C@H](NC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C)C(C)C ZINC000420353054 389989593 /nfs/dbraw/zinc/98/95/93/389989593.db2.gz BHGIJGPPSUAWNX-DGCLKSJQSA-N 2 2 271.405 0.679 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH3+])[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000420356524 389991002 /nfs/dbraw/zinc/99/10/02/389991002.db2.gz QTZQMNXOGMBCSF-GWCFXTLKSA-N 2 2 297.786 0.697 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH3+])[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000420356524 389991004 /nfs/dbraw/zinc/99/10/04/389991004.db2.gz QTZQMNXOGMBCSF-GWCFXTLKSA-N 2 2 297.786 0.697 20 0 CCADLP CCOCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420357583 389991060 /nfs/dbraw/zinc/99/10/60/389991060.db2.gz DNIJAAZVKGUNDE-GDBMZVCRSA-N 2 2 297.443 0.993 20 0 CCADLP CCOCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420357583 389991062 /nfs/dbraw/zinc/99/10/62/389991062.db2.gz DNIJAAZVKGUNDE-GDBMZVCRSA-N 2 2 297.443 0.993 20 0 CCADLP COc1nccc(C[NH2+][C@@H](C)CC[NH+]2CCOCC2)n1 ZINC000449223002 389992772 /nfs/dbraw/zinc/99/27/72/389992772.db2.gz IYFPBZGEFMOMFX-LBPRGKRZSA-N 2 2 280.372 0.686 20 0 CCADLP CCOC(=O)[C@H](CC)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420369734 389993475 /nfs/dbraw/zinc/99/34/75/389993475.db2.gz BZWZNSGPFUCRPK-STQMWFEESA-N 2 2 295.387 0.715 20 0 CCADLP CCOC(=O)[C@H](CC)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420369734 389993476 /nfs/dbraw/zinc/99/34/76/389993476.db2.gz BZWZNSGPFUCRPK-STQMWFEESA-N 2 2 295.387 0.715 20 0 CCADLP CC1(C)NC(=O)CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449387663 389993635 /nfs/dbraw/zinc/99/36/35/389993635.db2.gz MLHVQOHLHMJACT-QWHCGFSZSA-N 2 2 283.416 0.480 20 0 CCADLP CC1(C)NC(=O)CC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449387663 389993637 /nfs/dbraw/zinc/99/36/37/389993637.db2.gz MLHVQOHLHMJACT-QWHCGFSZSA-N 2 2 283.416 0.480 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420370231 389993756 /nfs/dbraw/zinc/99/37/56/389993756.db2.gz OURUJYQLFCWWOI-DMDPSCGWSA-N 2 2 284.404 0.444 20 0 CCADLP CCN1C[C@H]([NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1=O ZINC000449515647 389994260 /nfs/dbraw/zinc/99/42/60/389994260.db2.gz ANBGHXFDKOZKBK-WZRBSPASSA-N 2 2 251.374 0.680 20 0 CCADLP CCN1C[C@H]([NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1=O ZINC000449515647 389994263 /nfs/dbraw/zinc/99/42/63/389994263.db2.gz ANBGHXFDKOZKBK-WZRBSPASSA-N 2 2 251.374 0.680 20 0 CCADLP CCC[C@@](C)([NH2+]CCN1CC[NH2+]CC1)C(=O)OC ZINC000420382114 389995382 /nfs/dbraw/zinc/99/53/82/389995382.db2.gz YGHCFSPJZGSTLP-CYBMUJFWSA-N 2 2 257.378 0.213 20 0 CCADLP C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)C[C@@H]1C[NH3+] ZINC000420400789 389997267 /nfs/dbraw/zinc/99/72/67/389997267.db2.gz IQGVTIFAGYWMIK-MBNYWOFBSA-N 2 2 291.399 0.442 20 0 CCADLP C[C@@H]1CC[N@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)C[C@@H]1C[NH3+] ZINC000420400789 389997268 /nfs/dbraw/zinc/99/72/68/389997268.db2.gz IQGVTIFAGYWMIK-MBNYWOFBSA-N 2 2 291.399 0.442 20 0 CCADLP C[C@@H]1C[C@H](C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CO1 ZINC000439284634 390019234 /nfs/dbraw/zinc/01/92/34/390019234.db2.gz ZLVAYEWGYYAFNK-KGLIPLIRSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@@H]1C[C@H](C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CO1 ZINC000439284634 390019235 /nfs/dbraw/zinc/01/92/35/390019235.db2.gz ZLVAYEWGYYAFNK-KGLIPLIRSA-N 2 2 297.443 0.896 20 0 CCADLP Cc1cc(C)c(CNC(=O)NC[C@](C)(O)C[NH+](C)C)c[nH+]1 ZINC000459080777 390069166 /nfs/dbraw/zinc/06/91/66/390069166.db2.gz QFUDEGONGJMPQN-HNNXBMFYSA-N 2 2 294.399 0.810 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)[C@H]2C[NH+](C)C[C@@H]2C)CCO1 ZINC000487492851 390087656 /nfs/dbraw/zinc/08/76/56/390087656.db2.gz AKWVXGZQOHADQL-MJBXVCDLSA-N 2 2 283.416 0.411 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)[C@H]2C[NH+](C)C[C@@H]2C)CCO1 ZINC000487492851 390087657 /nfs/dbraw/zinc/08/76/57/390087657.db2.gz AKWVXGZQOHADQL-MJBXVCDLSA-N 2 2 283.416 0.411 20 0 CCADLP CC[C@@H]1C[NH+](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CCO1 ZINC000487492851 390087658 /nfs/dbraw/zinc/08/76/58/390087658.db2.gz AKWVXGZQOHADQL-MJBXVCDLSA-N 2 2 283.416 0.411 20 0 CCADLP CC[C@@H]1C[NH+](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CCO1 ZINC000487492851 390087659 /nfs/dbraw/zinc/08/76/59/390087659.db2.gz AKWVXGZQOHADQL-MJBXVCDLSA-N 2 2 283.416 0.411 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000488388756 390093568 /nfs/dbraw/zinc/09/35/68/390093568.db2.gz QTMQPONZIGIDIJ-LBPRGKRZSA-N 2 2 294.403 0.191 20 0 CCADLP COCC[N@H+]1CCC[C@H]1CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000488388756 390093569 /nfs/dbraw/zinc/09/35/69/390093569.db2.gz QTMQPONZIGIDIJ-LBPRGKRZSA-N 2 2 294.403 0.191 20 0 CCADLP C[C@H](NC(=O)/C=C/c1[nH]cc[nH+]1)[C@H](C)[NH+]1CCOCC1 ZINC000493160338 390119883 /nfs/dbraw/zinc/11/98/83/390119883.db2.gz SHNPTIJJCYCUPN-QSKOYVBTSA-N 2 2 278.356 0.648 20 0 CCADLP Cc1nc(N(C)C)nc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)[nH+]1 ZINC000490131771 390104755 /nfs/dbraw/zinc/10/47/55/390104755.db2.gz CCOBXCATTATYQU-NEPJUHHUSA-N 2 2 278.404 0.953 20 0 CCADLP Cc1nc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)nc(N(C)C)[nH+]1 ZINC000490131771 390104756 /nfs/dbraw/zinc/10/47/56/390104756.db2.gz CCOBXCATTATYQU-NEPJUHHUSA-N 2 2 278.404 0.953 20 0 CCADLP Cc1noc([C@H](C)[N@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000647835021 390186075 /nfs/dbraw/zinc/18/60/75/390186075.db2.gz JLAOJKVRNXHYEL-JTQLQIEISA-N 2 2 253.350 0.276 20 0 CCADLP Cc1noc([C@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000647835021 390186077 /nfs/dbraw/zinc/18/60/77/390186077.db2.gz JLAOJKVRNXHYEL-JTQLQIEISA-N 2 2 253.350 0.276 20 0 CCADLP O=C(/C=C\c1[nH]cc[nH+]1)N1CC[NH+](CC2CC2)CC1 ZINC000493322168 390123254 /nfs/dbraw/zinc/12/32/54/390123254.db2.gz NEDKCSSYQFKRIQ-ARJAWSKDSA-N 2 2 260.341 0.977 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000493967287 390137396 /nfs/dbraw/zinc/13/73/96/390137396.db2.gz FXXVEEFTAPHKJI-VXGBXAGGSA-N 2 2 279.388 0.048 20 0 CCADLP Cn1cc(CN(CCn2cc[nH+]c2)C(=O)C[NH+](C)C)cn1 ZINC000647687688 390137749 /nfs/dbraw/zinc/13/77/49/390137749.db2.gz WQOJNLGNJLOLDA-UHFFFAOYSA-N 2 2 290.371 0.207 20 0 CCADLP [NH3+][C@H](C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)c1cscn1 ZINC000644135867 390142321 /nfs/dbraw/zinc/14/23/21/390142321.db2.gz TVELGGASUACHTR-KKZNHRDASA-N 2 2 268.386 0.777 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCC2CCCC2)[C@@H](C[NH3+])C1 ZINC000579332068 390162281 /nfs/dbraw/zinc/16/22/81/390162281.db2.gz OHEFLAYLNVIRFJ-ZDUSSCGKSA-N 2 2 268.405 0.851 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCC2CCCC2)[C@@H](C[NH3+])C1 ZINC000579332068 390162284 /nfs/dbraw/zinc/16/22/84/390162284.db2.gz OHEFLAYLNVIRFJ-ZDUSSCGKSA-N 2 2 268.405 0.851 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000536537722 390163584 /nfs/dbraw/zinc/16/35/84/390163584.db2.gz SCXCXAXXQMEMKX-JTQLQIEISA-N 2 2 268.386 0.474 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000536537722 390163586 /nfs/dbraw/zinc/16/35/86/390163586.db2.gz SCXCXAXXQMEMKX-JTQLQIEISA-N 2 2 268.386 0.474 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C[NH+]1CCOCC1 ZINC000647786849 390171539 /nfs/dbraw/zinc/17/15/39/390171539.db2.gz ZVODHZYAVSFCDF-QKPAOTATSA-N 3 2 281.444 0.932 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000494663819 390190560 /nfs/dbraw/zinc/19/05/60/390190560.db2.gz FWQYWEVDCWQMPJ-RWMBFGLXSA-N 2 2 269.389 0.149 20 0 CCADLP CCCC[N@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC000647871204 390200745 /nfs/dbraw/zinc/20/07/45/390200745.db2.gz YTCWXTCUBOSGQF-STQMWFEESA-N 2 2 274.430 0.885 20 0 CCADLP CCCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC000647871204 390200747 /nfs/dbraw/zinc/20/07/47/390200747.db2.gz YTCWXTCUBOSGQF-STQMWFEESA-N 2 2 274.430 0.885 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CS(=O)(=O)CCO1 ZINC000539062622 390201794 /nfs/dbraw/zinc/20/17/94/390201794.db2.gz XNGGEGSZCWGOKA-FDYHWXHSSA-N 2 2 290.429 0.118 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CS(=O)(=O)CCO1 ZINC000539062622 390201795 /nfs/dbraw/zinc/20/17/95/390201795.db2.gz XNGGEGSZCWGOKA-FDYHWXHSSA-N 2 2 290.429 0.118 20 0 CCADLP C[N@@H+]1CC[C@H]2CCN(c3nc[nH+]c4c3OCCN4)[C@H]2C1 ZINC000647876786 390203512 /nfs/dbraw/zinc/20/35/12/390203512.db2.gz ZUOFZSVTJAAIGW-QWRGUYRKSA-N 2 2 275.356 0.811 20 0 CCADLP C[N@H+]1CC[C@H]2CCN(c3nc[nH+]c4c3OCCN4)[C@H]2C1 ZINC000647876786 390203513 /nfs/dbraw/zinc/20/35/13/390203513.db2.gz ZUOFZSVTJAAIGW-QWRGUYRKSA-N 2 2 275.356 0.811 20 0 CCADLP O=C(c1ccc(O)cc1)N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647879909 390205640 /nfs/dbraw/zinc/20/56/40/390205640.db2.gz XXGKENHFBWBUTK-CYBMUJFWSA-N 2 2 289.379 0.760 20 0 CCADLP COc1ccc(F)cc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000579810048 390209505 /nfs/dbraw/zinc/20/95/05/390209505.db2.gz VOJOEGFENZDJTC-NSHDSACASA-N 2 2 296.346 0.941 20 0 CCADLP COc1ccc(F)cc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000579810048 390209507 /nfs/dbraw/zinc/20/95/07/390209507.db2.gz VOJOEGFENZDJTC-NSHDSACASA-N 2 2 296.346 0.941 20 0 CCADLP Cn1nccc1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000647909147 390214778 /nfs/dbraw/zinc/21/47/78/390214778.db2.gz PDXWTSHMWGJWTO-UHFFFAOYSA-N 2 2 266.389 0.745 20 0 CCADLP CN(CCOc1ccccc1F)C(=O)C[N@H+](C)CCC[NH3+] ZINC000647848372 390191714 /nfs/dbraw/zinc/19/17/14/390191714.db2.gz OKYYRTZLGVJEJE-UHFFFAOYSA-N 2 2 297.374 0.944 20 0 CCADLP CN(CCOc1ccccc1F)C(=O)C[N@@H+](C)CCC[NH3+] ZINC000647848372 390191717 /nfs/dbraw/zinc/19/17/17/390191717.db2.gz OKYYRTZLGVJEJE-UHFFFAOYSA-N 2 2 297.374 0.944 20 0 CCADLP C[C@@H](CNC(=O)CC[C@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000494706332 390195326 /nfs/dbraw/zinc/19/53/26/390195326.db2.gz DUEMPHTUIYYFRH-QWHCGFSZSA-N 2 2 269.389 0.356 20 0 CCADLP C[C@H]([NH3+])[C@@H]1C[N@H+](CCC(=O)Nc2cccnc2)CCO1 ZINC000647865863 390198113 /nfs/dbraw/zinc/19/81/13/390198113.db2.gz VRRXIKSTALLSHZ-AAEUAGOBSA-N 2 2 278.356 0.458 20 0 CCADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCC(=O)Nc2cccnc2)CCO1 ZINC000647865863 390198116 /nfs/dbraw/zinc/19/81/16/390198116.db2.gz VRRXIKSTALLSHZ-AAEUAGOBSA-N 2 2 278.356 0.458 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(c2nc[nH+]c3c2OCCN3)C[C@H]1C ZINC000647867275 390199195 /nfs/dbraw/zinc/19/91/95/390199195.db2.gz DKZJMOHWRJOFSF-GHMZBOCLSA-N 2 2 293.371 0.172 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(c2nc[nH+]c3c2OCCN3)C[C@H]1C ZINC000647867275 390199199 /nfs/dbraw/zinc/19/91/99/390199199.db2.gz DKZJMOHWRJOFSF-GHMZBOCLSA-N 2 2 293.371 0.172 20 0 CCADLP COCC[N@@H+]1CCN(c2nc[nH+]c3c2OCCN3)C[C@H]1C ZINC000647867914 390199341 /nfs/dbraw/zinc/19/93/41/390199341.db2.gz ZXSIBBOERCTSMF-LLVKDONJSA-N 2 2 293.371 0.438 20 0 CCADLP COCC[N@H+]1CCN(c2nc[nH+]c3c2OCCN3)C[C@H]1C ZINC000647867914 390199345 /nfs/dbraw/zinc/19/93/45/390199345.db2.gz ZXSIBBOERCTSMF-LLVKDONJSA-N 2 2 293.371 0.438 20 0 CCADLP O=C(c1ccccn1)N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647988508 390240189 /nfs/dbraw/zinc/24/01/89/390240189.db2.gz TWTNMMLDEHPCGO-ZDUSSCGKSA-N 2 2 274.368 0.449 20 0 CCADLP CN(C)C(=O)C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644513503 390241124 /nfs/dbraw/zinc/24/11/24/390241124.db2.gz XLBQAEZFHNAETC-AWEZNQCLSA-N 2 2 279.384 0.157 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CCCN2CCOC2=O)n1C ZINC000496073406 390294435 /nfs/dbraw/zinc/29/44/35/390294435.db2.gz VLALQBCCFFGBRT-UHFFFAOYSA-N 2 2 252.318 0.660 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H](C[NH3+])c2ccccc2)CCO1 ZINC000582183393 390267219 /nfs/dbraw/zinc/26/72/19/390267219.db2.gz LLXQFZTTXPXSMV-UKRRQHHQSA-N 2 2 291.395 0.566 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H](C[NH3+])c2ccccc2)CCO1 ZINC000582183393 390267221 /nfs/dbraw/zinc/26/72/21/390267221.db2.gz LLXQFZTTXPXSMV-UKRRQHHQSA-N 2 2 291.395 0.566 20 0 CCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@@H]1CCCCC[NH2+]1 ZINC000582231035 390271038 /nfs/dbraw/zinc/27/10/38/390271038.db2.gz CMGQKLATPPWKGL-QWRGUYRKSA-N 2 2 275.343 0.880 20 0 CCADLP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CCCC2(F)F)CC1 ZINC000644648064 390275985 /nfs/dbraw/zinc/27/59/85/390275985.db2.gz YQGICINBIUURTR-RYUDHWBXSA-N 2 2 277.359 0.372 20 0 CCADLP CCOCC[C@H](O)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000644650744 390277007 /nfs/dbraw/zinc/27/70/07/390277007.db2.gz DPYDSUDXAIBQGS-MNOVXSKESA-N 2 2 253.346 0.644 20 0 CCADLP CCOCC[C@H](O)C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000644650744 390277009 /nfs/dbraw/zinc/27/70/09/390277009.db2.gz DPYDSUDXAIBQGS-MNOVXSKESA-N 2 2 253.346 0.644 20 0 CCADLP C[N@@H+]1C[C@@H]2CCN(CC[NH+]3C[C@H]4CC[C@@H](C3)O4)[C@@H]2C1 ZINC000644734328 390298613 /nfs/dbraw/zinc/29/86/13/390298613.db2.gz NWPBVLPHLKPCME-BYNSBNAKSA-N 2 2 265.401 0.486 20 0 CCADLP C[N@H+]1C[C@@H]2CCN(CC[NH+]3C[C@H]4CC[C@@H](C3)O4)[C@@H]2C1 ZINC000644734328 390298618 /nfs/dbraw/zinc/29/86/18/390298618.db2.gz NWPBVLPHLKPCME-BYNSBNAKSA-N 2 2 265.401 0.486 20 0 CCADLP C[NH+]1C[C@@H]2CCN(CC[N@H+]3C[C@H]4CC[C@@H](C3)O4)[C@@H]2C1 ZINC000644734328 390298620 /nfs/dbraw/zinc/29/86/20/390298620.db2.gz NWPBVLPHLKPCME-BYNSBNAKSA-N 2 2 265.401 0.486 20 0 CCADLP C[NH+]1C[C@@H]2CCN(CC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)[C@@H]2C1 ZINC000644734328 390298623 /nfs/dbraw/zinc/29/86/23/390298623.db2.gz NWPBVLPHLKPCME-BYNSBNAKSA-N 2 2 265.401 0.486 20 0 CCADLP CC[C@H]1C(=O)NCC[N@H+]1CCCc1c[nH+]cn1C ZINC000583638645 390302344 /nfs/dbraw/zinc/30/23/44/390302344.db2.gz FBZBIOQTDJRXFK-LBPRGKRZSA-N 2 2 250.346 0.563 20 0 CCADLP CC[C@H]1C(=O)NCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000583638645 390302348 /nfs/dbraw/zinc/30/23/48/390302348.db2.gz FBZBIOQTDJRXFK-LBPRGKRZSA-N 2 2 250.346 0.563 20 0 CCADLP CN(C)C(=O)CCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000583789008 390311287 /nfs/dbraw/zinc/31/12/87/390311287.db2.gz ZZNKULBOJMCADR-CQSZACIVSA-N 2 2 283.416 0.509 20 0 CCADLP CN(C)C(=O)CCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000583789008 390311288 /nfs/dbraw/zinc/31/12/88/390311288.db2.gz ZZNKULBOJMCADR-CQSZACIVSA-N 2 2 283.416 0.509 20 0 CCADLP C[C@@H](CC(=O)N1CC[N@H+](C)C[C@@H]1C)n1cc[nH+]c1 ZINC000584355057 390338430 /nfs/dbraw/zinc/33/84/30/390338430.db2.gz JIKGVCFXPGGLFP-RYUDHWBXSA-N 2 2 250.346 0.997 20 0 CCADLP C[C@@H](CC(=O)N1CC[N@@H+](C)C[C@@H]1C)n1cc[nH+]c1 ZINC000584355057 390338433 /nfs/dbraw/zinc/33/84/33/390338433.db2.gz JIKGVCFXPGGLFP-RYUDHWBXSA-N 2 2 250.346 0.997 20 0 CCADLP CO[C@H](C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)C1CC1 ZINC000644927962 390347453 /nfs/dbraw/zinc/34/74/53/390347453.db2.gz UEVKFLFWELUEJP-HUUCEWRRSA-N 2 2 295.427 0.826 20 0 CCADLP CO[C@H](C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1)C1CC1 ZINC000644927962 390347454 /nfs/dbraw/zinc/34/74/54/390347454.db2.gz UEVKFLFWELUEJP-HUUCEWRRSA-N 2 2 295.427 0.826 20 0 CCADLP CCCN(C(=O)NCC[NH+]1CCOCC1)[C@@H]1CC[N@H+](C)C1 ZINC000645102378 390371439 /nfs/dbraw/zinc/37/14/39/390371439.db2.gz NWLMHMWPQZPPIA-CQSZACIVSA-N 2 2 298.431 0.444 20 0 CCADLP CCCN(C(=O)NCC[NH+]1CCOCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000645102378 390371441 /nfs/dbraw/zinc/37/14/41/390371441.db2.gz NWLMHMWPQZPPIA-CQSZACIVSA-N 2 2 298.431 0.444 20 0 CCADLP C[NH+](C)CC(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000589309997 390360346 /nfs/dbraw/zinc/36/03/46/390360346.db2.gz AAGZWSDAGOUVBS-UHFFFAOYSA-N 2 2 290.411 0.934 20 0 CCADLP CN1CC[NH+](Cc2ccc(NC(=O)C[NH+](C)C)cc2)CC1 ZINC000589309997 390360349 /nfs/dbraw/zinc/36/03/49/390360349.db2.gz AAGZWSDAGOUVBS-UHFFFAOYSA-N 2 2 290.411 0.934 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000623479505 390401286 /nfs/dbraw/zinc/40/12/86/390401286.db2.gz XOIDJHVYTUSPEZ-CQSZACIVSA-N 2 2 292.383 0.515 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000548000933 390413642 /nfs/dbraw/zinc/41/36/42/390413642.db2.gz MQAZMAGIMVEKNN-LBPRGKRZSA-N 2 2 288.355 0.702 20 0 CCADLP CCc1nc(N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)cc(C)[nH+]1 ZINC000645358017 390414360 /nfs/dbraw/zinc/41/43/60/390414360.db2.gz ASZKXHMEHCNTGA-LBPRGKRZSA-N 2 2 291.399 0.904 20 0 CCADLP CC1CC[NH+](C[C@@H](O)CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC000554495846 390428706 /nfs/dbraw/zinc/42/87/06/390428706.db2.gz QWYJMBBZYNZLDZ-AWEZNQCLSA-N 2 2 294.399 0.172 20 0 CCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1C ZINC000648866866 390429102 /nfs/dbraw/zinc/42/91/02/390429102.db2.gz RKPKDZWNUUQUPC-GRYCIOLGSA-N 2 2 262.357 0.654 20 0 CCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCn3cc[nH+]c3C2)CC[N@H+]1C ZINC000648866866 390429106 /nfs/dbraw/zinc/42/91/06/390429106.db2.gz RKPKDZWNUUQUPC-GRYCIOLGSA-N 2 2 262.357 0.654 20 0 CCADLP COc1ccc(F)c(C[NH2+]CC(=O)N2CC[NH+](C)CC2)c1 ZINC000645150855 390378293 /nfs/dbraw/zinc/37/82/93/390378293.db2.gz HQIKAAVQAXCNDB-UHFFFAOYSA-N 2 2 295.358 0.698 20 0 CCADLP CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1c[nH+]c(C)nc1N ZINC000648902132 390440226 /nfs/dbraw/zinc/44/02/26/390440226.db2.gz YBRKYYHOPJDHJA-SECBINFHSA-N 2 2 279.388 0.980 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)OC[C@H]2CCCO2)CC1 ZINC000496941354 390389585 /nfs/dbraw/zinc/38/95/85/390389585.db2.gz GMIRLVJAMBYEQP-CQSZACIVSA-N 2 2 299.415 0.918 20 0 CCADLP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000517231048 390488902 /nfs/dbraw/zinc/48/89/02/390488902.db2.gz OKWDJBXHFNSORV-TZMCWYRMSA-N 2 2 278.400 0.842 20 0 CCADLP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000517231048 390488908 /nfs/dbraw/zinc/48/89/08/390488908.db2.gz OKWDJBXHFNSORV-TZMCWYRMSA-N 2 2 278.400 0.842 20 0 CCADLP CS(=O)(=O)CC1(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000517743131 390491102 /nfs/dbraw/zinc/49/11/02/390491102.db2.gz QATWFDQWOGLJLI-NEPJUHHUSA-N 2 2 272.414 0.353 20 0 CCADLP CS(=O)(=O)CC1(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000517743131 390491103 /nfs/dbraw/zinc/49/11/03/390491103.db2.gz QATWFDQWOGLJLI-NEPJUHHUSA-N 2 2 272.414 0.353 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000565315333 390502620 /nfs/dbraw/zinc/50/26/20/390502620.db2.gz UFHAVWRNDFYTKR-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000565315333 390502625 /nfs/dbraw/zinc/50/26/25/390502625.db2.gz UFHAVWRNDFYTKR-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP C[NH+](C)CCN(Cc1ccccn1)C(=O)Cn1cc[nH+]c1 ZINC000519574674 390511313 /nfs/dbraw/zinc/51/13/13/390511313.db2.gz IJNDXCZHOVXRNR-UHFFFAOYSA-N 2 2 287.367 0.869 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)CC[N@@H+]1C ZINC000648921947 390445944 /nfs/dbraw/zinc/44/59/44/390445944.db2.gz UMMOMTVDPSPWCS-YIYPIFLZSA-N 2 2 281.400 0.306 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)CC[N@H+]1C ZINC000648921947 390445947 /nfs/dbraw/zinc/44/59/47/390445947.db2.gz UMMOMTVDPSPWCS-YIYPIFLZSA-N 2 2 281.400 0.306 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH+]1C ZINC000648921947 390445948 /nfs/dbraw/zinc/44/59/48/390445948.db2.gz UMMOMTVDPSPWCS-YIYPIFLZSA-N 2 2 281.400 0.306 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH+]1C ZINC000648921947 390445951 /nfs/dbraw/zinc/44/59/51/390445951.db2.gz UMMOMTVDPSPWCS-YIYPIFLZSA-N 2 2 281.400 0.306 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000643472169 390451432 /nfs/dbraw/zinc/45/14/32/390451432.db2.gz CQOWYMAWGDFPMC-STQMWFEESA-N 3 2 268.405 0.010 20 0 CCADLP C[NH+]1CCN(C(=O)CN[C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000643472169 390451434 /nfs/dbraw/zinc/45/14/34/390451434.db2.gz CQOWYMAWGDFPMC-STQMWFEESA-N 2 2 268.405 0.010 20 0 CCADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]C[C@@H](C)[NH3+] ZINC000643526930 390460431 /nfs/dbraw/zinc/46/04/31/390460431.db2.gz HREXGQAPRYKRAT-GHMZBOCLSA-N 2 2 285.413 0.949 20 0 CCADLP Cc1ncsc1C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000566107358 390580437 /nfs/dbraw/zinc/58/04/37/390580437.db2.gz JPGVDDXADVIFSX-NSHDSACASA-N 2 2 255.387 0.996 20 0 CCADLP Cc1ncsc1C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000566107358 390580440 /nfs/dbraw/zinc/58/04/40/390580440.db2.gz JPGVDDXADVIFSX-NSHDSACASA-N 2 2 255.387 0.996 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)C[C@H](C)O1 ZINC000566123985 390582631 /nfs/dbraw/zinc/58/26/31/390582631.db2.gz FWCRVFJUMVFNJL-ZAQNNHEOSA-N 2 2 268.401 0.845 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)C[C@H](C)O1 ZINC000566123985 390582636 /nfs/dbraw/zinc/58/26/36/390582636.db2.gz FWCRVFJUMVFNJL-ZAQNNHEOSA-N 2 2 268.401 0.845 20 0 CCADLP CC[C@H](C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)OC ZINC000566129514 390583307 /nfs/dbraw/zinc/58/33/07/390583307.db2.gz HCYILFMFZYLKRA-XJFOESAGSA-N 2 2 274.405 0.471 20 0 CCADLP CC[C@H](C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)OC ZINC000566129514 390583311 /nfs/dbraw/zinc/58/33/11/390583311.db2.gz HCYILFMFZYLKRA-XJFOESAGSA-N 2 2 274.405 0.471 20 0 CCADLP CC[C@H]1CCCC[N@@H+]1CCNC[C@@H](O)C[NH+]1CCOCC1 ZINC000519637576 390521141 /nfs/dbraw/zinc/52/11/41/390521141.db2.gz JNICAQLEGMLDIM-JKSUJKDBSA-N 2 2 299.459 0.534 20 0 CCADLP CC[C@H]1CCCC[N@H+]1CCNC[C@@H](O)C[NH+]1CCOCC1 ZINC000519637576 390521145 /nfs/dbraw/zinc/52/11/45/390521145.db2.gz JNICAQLEGMLDIM-JKSUJKDBSA-N 2 2 299.459 0.534 20 0 CCADLP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000565636569 390531133 /nfs/dbraw/zinc/53/11/33/390531133.db2.gz GLNJMLANCRDUCS-MRXNPFEDSA-N 2 2 292.427 0.512 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000565636569 390531138 /nfs/dbraw/zinc/53/11/38/390531138.db2.gz GLNJMLANCRDUCS-MRXNPFEDSA-N 2 2 292.427 0.512 20 0 CCADLP O=C(NCC[N@H+]1CC=CCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000519778991 390542902 /nfs/dbraw/zinc/54/29/02/390542902.db2.gz SUYNZWJUFBRUKQ-CYBMUJFWSA-N 2 2 274.368 0.824 20 0 CCADLP O=C(NCC[N@@H+]1CC=CCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000519778991 390542909 /nfs/dbraw/zinc/54/29/09/390542909.db2.gz SUYNZWJUFBRUKQ-CYBMUJFWSA-N 2 2 274.368 0.824 20 0 CCADLP [NH3+]CCN(CCO)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000519831144 390551486 /nfs/dbraw/zinc/55/14/86/390551486.db2.gz BXIJPDRIMLVDJG-UHFFFAOYSA-N 2 2 263.301 0.119 20 0 CCADLP O=C([C@H]1CCC[NH2+]1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000649303528 390562665 /nfs/dbraw/zinc/56/26/65/390562665.db2.gz DWJNOBHRPAICIH-QWHCGFSZSA-N 2 2 267.373 0.062 20 0 CCADLP O[C@@H]1CCC[C@H]1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000566088889 390575940 /nfs/dbraw/zinc/57/59/40/390575940.db2.gz HDARSJHFDNPWGL-DGAVXFQQSA-N 2 2 254.374 0.504 20 0 CCADLP Cn1c2ccccc2[nH+]c1N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000566489346 390621551 /nfs/dbraw/zinc/62/15/51/390621551.db2.gz KPXWAHPVXKPYIK-MNOVXSKESA-N 2 2 285.351 0.322 20 0 CCADLP C[C@H]1C[C@@H](N(C)C(=O)Cn2cc[nH+]c2)CC[N@@H+]1C ZINC000522050190 390624133 /nfs/dbraw/zinc/62/41/33/390624133.db2.gz ZUVHRNJLIGPEEY-RYUDHWBXSA-N 2 2 250.346 0.824 20 0 CCADLP C[C@H]1C[C@@H](N(C)C(=O)Cn2cc[nH+]c2)CC[N@H+]1C ZINC000522050190 390624136 /nfs/dbraw/zinc/62/41/36/390624136.db2.gz ZUVHRNJLIGPEEY-RYUDHWBXSA-N 2 2 250.346 0.824 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCC(C)(C)CO)C[C@H](C)O1 ZINC000566561059 390628955 /nfs/dbraw/zinc/62/89/55/390628955.db2.gz DGDMDDFNENRPNQ-HZSPNIEDSA-N 2 2 288.432 0.455 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCC(C)(C)CO)C[C@H](C)O1 ZINC000566561059 390628957 /nfs/dbraw/zinc/62/89/57/390628957.db2.gz DGDMDDFNENRPNQ-HZSPNIEDSA-N 2 2 288.432 0.455 20 0 CCADLP Cc1ccc(F)c(OCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000566560094 390629255 /nfs/dbraw/zinc/62/92/55/390629255.db2.gz DQKYHCSMIIUPEQ-GFCCVEGCSA-N 2 2 295.358 0.614 20 0 CCADLP Cc1ccc(F)c(OCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000566560094 390629257 /nfs/dbraw/zinc/62/92/57/390629257.db2.gz DQKYHCSMIIUPEQ-GFCCVEGCSA-N 2 2 295.358 0.614 20 0 CCADLP Cc1cccc2[nH+]c(CCNC(=O)N[C@H]3CC[NH2+]C3)cn21 ZINC000646197655 390631171 /nfs/dbraw/zinc/63/11/71/390631171.db2.gz MJIYRTKMZMRACP-LBPRGKRZSA-N 2 2 287.367 0.846 20 0 CCADLP C[N@H+](CCNC(=O)[C@H]([NH3+])c1cscn1)C1CC1 ZINC000566972340 390662602 /nfs/dbraw/zinc/66/26/02/390662602.db2.gz XRGURRRWTIEAQE-SNVBAGLBSA-N 2 2 254.359 0.353 20 0 CCADLP C[N@@H+](CCNC(=O)[C@H]([NH3+])c1cscn1)C1CC1 ZINC000566972340 390662604 /nfs/dbraw/zinc/66/26/04/390662604.db2.gz XRGURRRWTIEAQE-SNVBAGLBSA-N 2 2 254.359 0.353 20 0 CCADLP COCC[NH2+]CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000646265462 390653886 /nfs/dbraw/zinc/65/38/86/390653886.db2.gz ZXHYTVRIRVSRNF-LBPRGKRZSA-N 2 2 278.356 0.013 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@]1(CO)CCOc2ccccc21 ZINC000566893765 390657118 /nfs/dbraw/zinc/65/71/18/390657118.db2.gz ZUKIVHWCROHQIG-CZUORRHYSA-N 2 2 294.395 0.559 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@]1(CO)CCOc2ccccc21 ZINC000566893765 390657120 /nfs/dbraw/zinc/65/71/20/390657120.db2.gz ZUKIVHWCROHQIG-CZUORRHYSA-N 2 2 294.395 0.559 20 0 CCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000646124716 390610867 /nfs/dbraw/zinc/61/08/67/390610867.db2.gz UUDCWAZRYULRMA-JQWIXIFHSA-N 2 2 282.413 0.943 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000646124716 390610871 /nfs/dbraw/zinc/61/08/71/390610871.db2.gz UUDCWAZRYULRMA-JQWIXIFHSA-N 2 2 282.413 0.943 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc3c(n2)CCC3)C1 ZINC000567565970 390703932 /nfs/dbraw/zinc/70/39/32/390703932.db2.gz CSDZEIJPRPVGLE-OAHLLOKOSA-N 2 2 261.369 0.727 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc3c(n2)CCC3)C1 ZINC000567565970 390703933 /nfs/dbraw/zinc/70/39/33/390703933.db2.gz CSDZEIJPRPVGLE-OAHLLOKOSA-N 2 2 261.369 0.727 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1(CC(N)=O)CC1 ZINC000567603853 390705822 /nfs/dbraw/zinc/70/58/22/390705822.db2.gz IXKMFGAPZFYQPZ-JQWIXIFHSA-N 2 2 251.374 0.714 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1(CC(N)=O)CC1 ZINC000567603853 390705823 /nfs/dbraw/zinc/70/58/23/390705823.db2.gz IXKMFGAPZFYQPZ-JQWIXIFHSA-N 2 2 251.374 0.714 20 0 CCADLP Cc1[nH+]cc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)n1C ZINC000570816614 390720149 /nfs/dbraw/zinc/72/01/49/390720149.db2.gz RXGUZDUMIKUBBF-RYUDHWBXSA-N 2 2 253.346 0.463 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCCc2ccccn2)[C@@H](C[NH3+])C1 ZINC000646833201 390725641 /nfs/dbraw/zinc/72/56/41/390725641.db2.gz PQTBUUYRFQTTSJ-AWEZNQCLSA-N 2 2 276.384 0.506 20 0 CCADLP C[N@H+]1CCN(C(=O)CCCc2ccccn2)[C@@H](C[NH3+])C1 ZINC000646833201 390725642 /nfs/dbraw/zinc/72/56/42/390725642.db2.gz PQTBUUYRFQTTSJ-AWEZNQCLSA-N 2 2 276.384 0.506 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)[C@H](C)[NH+]1CCSCC1 ZINC000571236748 390727137 /nfs/dbraw/zinc/72/71/37/390727137.db2.gz LGBXUONNOLRCIH-STQMWFEESA-N 2 2 285.457 0.976 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)[NH+]1CCSCC1 ZINC000571236748 390727139 /nfs/dbraw/zinc/72/71/39/390727139.db2.gz LGBXUONNOLRCIH-STQMWFEESA-N 2 2 285.457 0.976 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]CCOC[C@@H]1CCCO1)C1CC1 ZINC000571277565 390728632 /nfs/dbraw/zinc/72/86/32/390728632.db2.gz LHZDCPYZYKKJJU-KGLIPLIRSA-N 2 2 272.389 0.227 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]CCOC[C@@H]1CCCO1)C1CC1 ZINC000571277565 390728633 /nfs/dbraw/zinc/72/86/33/390728633.db2.gz LHZDCPYZYKKJJU-KGLIPLIRSA-N 2 2 272.389 0.227 20 0 CCADLP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567167133 390676758 /nfs/dbraw/zinc/67/67/58/390676758.db2.gz DOZJFHDLPCJBEQ-JSGCOSHPSA-N 2 2 253.390 0.977 20 0 CCADLP CC[C@H](C)NC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567167133 390676760 /nfs/dbraw/zinc/67/67/60/390676760.db2.gz DOZJFHDLPCJBEQ-JSGCOSHPSA-N 2 2 253.390 0.977 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000646634843 390702184 /nfs/dbraw/zinc/70/21/84/390702184.db2.gz LTFKUAGHQYNTRK-JTQLQIEISA-N 2 2 257.297 0.359 20 0 CCADLP CC1([NH3+])CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000646993796 390754587 /nfs/dbraw/zinc/75/45/87/390754587.db2.gz JOJBCULVKNJUJL-AWEZNQCLSA-N 2 2 295.427 0.970 20 0 CCADLP CC1([NH3+])CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000646993796 390754590 /nfs/dbraw/zinc/75/45/90/390754590.db2.gz JOJBCULVKNJUJL-AWEZNQCLSA-N 2 2 295.427 0.970 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C[C@@H]1CCOC1)C1CC1 ZINC000572199847 390772281 /nfs/dbraw/zinc/77/22/81/390772281.db2.gz YFVNKMKBJDEXKD-ZFWWWQNUSA-N 2 2 286.416 0.426 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C[C@@H]1CCOC1)C1CC1 ZINC000572199847 390772284 /nfs/dbraw/zinc/77/22/84/390772284.db2.gz YFVNKMKBJDEXKD-ZFWWWQNUSA-N 2 2 286.416 0.426 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000572199847 390772287 /nfs/dbraw/zinc/77/22/87/390772287.db2.gz YFVNKMKBJDEXKD-ZFWWWQNUSA-N 2 2 286.416 0.426 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000572199847 390772290 /nfs/dbraw/zinc/77/22/90/390772290.db2.gz YFVNKMKBJDEXKD-ZFWWWQNUSA-N 2 2 286.416 0.426 20 0 CCADLP O=C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)NC(=O)NC1CC1 ZINC000572228839 390772963 /nfs/dbraw/zinc/77/29/63/390772963.db2.gz NSLHDVMDFJAJAC-CQSZACIVSA-N 2 2 280.372 0.050 20 0 CCADLP O=C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)NC(=O)NC1CC1 ZINC000572228839 390772965 /nfs/dbraw/zinc/77/29/65/390772965.db2.gz NSLHDVMDFJAJAC-CQSZACIVSA-N 2 2 280.372 0.050 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528790459 390778618 /nfs/dbraw/zinc/77/86/18/390778618.db2.gz XNHCALXAQJPLSE-PXWIGAEESA-N 2 2 288.457 0.673 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528790459 390778619 /nfs/dbraw/zinc/77/86/19/390778619.db2.gz XNHCALXAQJPLSE-PXWIGAEESA-N 2 2 288.457 0.673 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528790459 390778621 /nfs/dbraw/zinc/77/86/21/390778621.db2.gz XNHCALXAQJPLSE-PXWIGAEESA-N 2 2 288.457 0.673 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528790459 390778622 /nfs/dbraw/zinc/77/86/22/390778622.db2.gz XNHCALXAQJPLSE-PXWIGAEESA-N 2 2 288.457 0.673 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528789725 390779107 /nfs/dbraw/zinc/77/91/07/390779107.db2.gz TYWPERIWCLJORI-FHSNZYRGSA-N 2 2 267.398 0.948 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528789725 390779109 /nfs/dbraw/zinc/77/91/09/390779109.db2.gz TYWPERIWCLJORI-FHSNZYRGSA-N 2 2 267.398 0.948 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528790457 390779193 /nfs/dbraw/zinc/77/91/93/390779193.db2.gz XNHCALXAQJPLSE-VYGYDYRJSA-N 2 2 288.457 0.673 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528790457 390779194 /nfs/dbraw/zinc/77/91/94/390779194.db2.gz XNHCALXAQJPLSE-VYGYDYRJSA-N 2 2 288.457 0.673 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528790457 390779195 /nfs/dbraw/zinc/77/91/95/390779195.db2.gz XNHCALXAQJPLSE-VYGYDYRJSA-N 2 2 288.457 0.673 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528790457 390779196 /nfs/dbraw/zinc/77/91/96/390779196.db2.gz XNHCALXAQJPLSE-VYGYDYRJSA-N 2 2 288.457 0.673 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CO1 ZINC000647178039 390782964 /nfs/dbraw/zinc/78/29/64/390782964.db2.gz XWHLVFQQSYPGIZ-MCIONIFRSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CO1 ZINC000647178039 390782968 /nfs/dbraw/zinc/78/29/68/390782968.db2.gz XWHLVFQQSYPGIZ-MCIONIFRSA-N 2 2 283.416 0.696 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C12CCC2)N[C@H]1CCn2cc[nH+]c2C1 ZINC000529318912 390807012 /nfs/dbraw/zinc/80/70/12/390807012.db2.gz CRCUAEUVKKSMBB-RYUDHWBXSA-N 2 2 289.383 0.782 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)[C@@]1(O)CCOC1 ZINC000647246784 390796787 /nfs/dbraw/zinc/79/67/87/390796787.db2.gz QJWANMJGCNSWJW-YRGRVCCFSA-N 2 2 256.390 0.704 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)[C@@]1(O)CCOC1 ZINC000647246784 390796789 /nfs/dbraw/zinc/79/67/89/390796789.db2.gz QJWANMJGCNSWJW-YRGRVCCFSA-N 2 2 256.390 0.704 20 0 CCADLP C[C@H](C[NH2+]C1CCC2(CC1)NC(=O)NC2=O)[NH+](C)C ZINC000647288035 390808176 /nfs/dbraw/zinc/80/81/76/390808176.db2.gz DTGQXYBIOWAAPC-TTXORMCVSA-N 2 2 268.361 0.047 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC000571485459 390737793 /nfs/dbraw/zinc/73/77/93/390737793.db2.gz BSQWJPLLEPUYDX-NWDGAFQWSA-N 2 2 274.368 0.798 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC000571485459 390737794 /nfs/dbraw/zinc/73/77/94/390737794.db2.gz BSQWJPLLEPUYDX-NWDGAFQWSA-N 2 2 274.368 0.798 20 0 CCADLP C[C@H](C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21)[NH+]1CCSCC1 ZINC000646930828 390743213 /nfs/dbraw/zinc/74/32/13/390743213.db2.gz ORRZWUFGUOTZMW-AGIUHOORSA-N 2 2 283.441 0.586 20 0 CCADLP C[C@H](C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21)[NH+]1CCSCC1 ZINC000646930828 390743215 /nfs/dbraw/zinc/74/32/15/390743215.db2.gz ORRZWUFGUOTZMW-AGIUHOORSA-N 2 2 283.441 0.586 20 0 CCADLP CN(C)[C@@H](C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21)c1c[nH+]cn1C ZINC000646937363 390744378 /nfs/dbraw/zinc/74/43/78/390744378.db2.gz KJZKQYYZDZJVON-IACUBPJLSA-N 2 2 291.399 0.185 20 0 CCADLP CN(C)[C@@H](C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21)c1c[nH+]cn1C ZINC000646937363 390744379 /nfs/dbraw/zinc/74/43/79/390744379.db2.gz KJZKQYYZDZJVON-IACUBPJLSA-N 2 2 291.399 0.185 20 0 CCADLP C[C@@H](C[NH2+]CCC(N)=O)[N@@H+]1CCc2ccccc2C1 ZINC000578390596 390881346 /nfs/dbraw/zinc/88/13/46/390881346.db2.gz LGFYEEMDMUCIFQ-LBPRGKRZSA-N 2 2 261.369 0.898 20 0 CCADLP C[C@@H](C[NH2+]CCC(N)=O)[N@H+]1CCc2ccccc2C1 ZINC000578390596 390881349 /nfs/dbraw/zinc/88/13/49/390881349.db2.gz LGFYEEMDMUCIFQ-LBPRGKRZSA-N 2 2 261.369 0.898 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000578080733 390863400 /nfs/dbraw/zinc/86/34/00/390863400.db2.gz AEASRVGAWVSWNT-LBPRGKRZSA-N 2 2 285.351 0.970 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000578080733 390863403 /nfs/dbraw/zinc/86/34/03/390863403.db2.gz AEASRVGAWVSWNT-LBPRGKRZSA-N 2 2 285.351 0.970 20 0 CCADLP COC[C@@H](C)OC[C@@H](O)C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000578232662 390871728 /nfs/dbraw/zinc/87/17/28/390871728.db2.gz BMYRMLYNSVSCLA-OCCSQVGLSA-N 2 2 297.399 0.721 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@H]2CC23CC3)C[C@@H](C)O1 ZINC000572953340 390813179 /nfs/dbraw/zinc/81/31/79/390813179.db2.gz GHHOJSWERWLXHJ-AAVRWANBSA-N 2 2 268.401 0.846 20 0 CCADLP CC(C)[C@@H](C)NC(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000572971426 390814948 /nfs/dbraw/zinc/81/49/48/390814948.db2.gz CRGIQVGLZWDGPQ-GFCCVEGCSA-N 2 2 279.388 0.692 20 0 CCADLP CC[NH2+]CCCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000572976987 390815903 /nfs/dbraw/zinc/81/59/03/390815903.db2.gz USOAQBUSPQALCF-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529349481 390816469 /nfs/dbraw/zinc/81/64/69/390816469.db2.gz MGMBKOAVCRNDOH-LLVKDONJSA-N 2 2 263.345 0.836 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529349481 390816471 /nfs/dbraw/zinc/81/64/71/390816471.db2.gz MGMBKOAVCRNDOH-LLVKDONJSA-N 2 2 263.345 0.836 20 0 CCADLP COCCn1cc(C[NH+]2CCC(C)([NH3+])CC2)cn1 ZINC000647531363 390834619 /nfs/dbraw/zinc/83/46/19/390834619.db2.gz QWBZMDDXRLQKIT-UHFFFAOYSA-N 2 2 252.362 0.843 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2CCC[C@@H]2CO)C[C@H](C)O1 ZINC000647537023 390836044 /nfs/dbraw/zinc/83/60/44/390836044.db2.gz ARDJEFDDPJAEGW-XLWJZTARSA-N 2 2 286.416 0.207 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2CCC[C@@H]2CO)C[C@H](C)O1 ZINC000647537023 390836048 /nfs/dbraw/zinc/83/60/48/390836048.db2.gz ARDJEFDDPJAEGW-XLWJZTARSA-N 2 2 286.416 0.207 20 0 CCADLP COC[C@]1(C[NH2+]Cc2ccc(N)nc2)CCC[NH2+]1 ZINC000647546781 390839226 /nfs/dbraw/zinc/83/92/26/390839226.db2.gz BATSKBMPOIVZRF-CYBMUJFWSA-N 2 2 250.346 0.352 20 0 CCADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000647548159 390839873 /nfs/dbraw/zinc/83/98/73/390839873.db2.gz WYSHJVBQZNJJDT-UIDBIOKJSA-N 3 2 280.460 0.790 20 0 CCADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C1 ZINC000647548159 390839874 /nfs/dbraw/zinc/83/98/74/390839874.db2.gz WYSHJVBQZNJJDT-UIDBIOKJSA-N 3 2 280.460 0.790 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000647552832 390840462 /nfs/dbraw/zinc/84/04/62/390840462.db2.gz ZONPHKYWHHEFCE-STQMWFEESA-N 3 2 292.431 0.444 20 0 CCADLP CCOCC[C@@H](O)C[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000578626882 390894922 /nfs/dbraw/zinc/89/49/22/390894922.db2.gz ARAPVCKQPZKTPD-UONOGXRCSA-N 2 2 274.405 0.210 20 0 CCADLP CCOCC[C@@H](O)C[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000578626882 390894923 /nfs/dbraw/zinc/89/49/23/390894923.db2.gz ARAPVCKQPZKTPD-UONOGXRCSA-N 2 2 274.405 0.210 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CCS(=O)(=O)N(C)C)[C@H](C)C1 ZINC000336808607 285396314 /nfs/dbraw/zinc/39/63/14/285396314.db2.gz CMNACVKMOUGXGP-OLZOCXBDSA-N 2 2 291.461 0.540 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CCS(=O)(=O)N(C)C)[C@H](C)C1 ZINC000336808607 285396315 /nfs/dbraw/zinc/39/63/15/285396315.db2.gz CMNACVKMOUGXGP-OLZOCXBDSA-N 2 2 291.461 0.540 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CCS(=O)(=O)N(C)C)[C@H](C)C1 ZINC000336808607 285396317 /nfs/dbraw/zinc/39/63/17/285396317.db2.gz CMNACVKMOUGXGP-OLZOCXBDSA-N 2 2 291.461 0.540 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CCS(=O)(=O)N(C)C)[C@H](C)C1 ZINC000336808607 285396318 /nfs/dbraw/zinc/39/63/18/285396318.db2.gz CMNACVKMOUGXGP-OLZOCXBDSA-N 2 2 291.461 0.540 20 0 CCADLP C[C@@H](NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1)[C@H](C)[NH3+] ZINC000423680559 533269082 /nfs/dbraw/zinc/26/90/82/533269082.db2.gz NJIGQPZTRVDRAE-DMDPSCGWSA-N 2 2 269.389 0.339 20 0 CCADLP C[C@@H](NC(=O)[C@H]1COCC[N@H+]1CC1CCC1)[C@H](C)[NH3+] ZINC000423680559 533269086 /nfs/dbraw/zinc/26/90/86/533269086.db2.gz NJIGQPZTRVDRAE-DMDPSCGWSA-N 2 2 269.389 0.339 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C[NH2+]CC2CC2)C[C@@H]1C ZINC000423901269 533418839 /nfs/dbraw/zinc/41/88/39/533418839.db2.gz SXVZHGDCFKBIQN-LBPRGKRZSA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)C[NH2+]CC2CC2)C[C@@H]1C ZINC000423901269 533418842 /nfs/dbraw/zinc/41/88/42/533418842.db2.gz SXVZHGDCFKBIQN-LBPRGKRZSA-N 2 2 297.399 0.082 20 0 CCADLP [NH3+]CC(F)(F)CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000190307641 130088686 /nfs/dbraw/zinc/08/86/86/130088686.db2.gz GXEGZFBAKPXKPW-NSHDSACASA-N 2 2 269.295 0.411 20 0 CCADLP C[C@H](c1cnccn1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000342224035 130396133 /nfs/dbraw/zinc/39/61/33/130396133.db2.gz VAZLNAONLGNIAH-GFCCVEGCSA-N 2 2 264.373 0.926 20 0 CCADLP C[C@H](c1cnccn1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000342224035 130396137 /nfs/dbraw/zinc/39/61/37/130396137.db2.gz VAZLNAONLGNIAH-GFCCVEGCSA-N 2 2 264.373 0.926 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000237336707 131024629 /nfs/dbraw/zinc/02/46/29/131024629.db2.gz ZVLICIDXYLGLHH-NSHDSACASA-N 2 2 273.340 0.739 20 0 CCADLP C[C@@H](C[NH3+])N(C)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000237423624 131029495 /nfs/dbraw/zinc/02/94/95/131029495.db2.gz MFUKMYUUBMBGOA-ZDUSSCGKSA-N 2 2 291.399 0.009 20 0 CCADLP C[C@@H]1CN(c2ccc(CNC(=O)C3([NH3+])CC3)c[nH+]2)CCO1 ZINC000237439647 131031402 /nfs/dbraw/zinc/03/14/02/131031402.db2.gz ATWIGTWDNCLUOC-LLVKDONJSA-N 2 2 290.367 0.414 20 0 CCADLP O=C([C@H]1CC[NH2+]C1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000237981149 131070659 /nfs/dbraw/zinc/07/06/59/131070659.db2.gz DYCAWYNNZKNXJH-AWEZNQCLSA-N 2 2 289.379 0.646 20 0 CCADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)[C@H]1CCC[NH2+]1 ZINC000238041093 131074480 /nfs/dbraw/zinc/07/44/80/131074480.db2.gz QRBDDDKDRRJJLC-CYBMUJFWSA-N 2 2 290.367 0.286 20 0 CCADLP O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@H]1CSC[NH2+]1 ZINC000238096424 131076624 /nfs/dbraw/zinc/07/66/24/131076624.db2.gz NBKPYVZPIZJQNJ-CQSZACIVSA-N 2 2 291.420 0.823 20 0 CCADLP O=C(NCC[N@H+]1CCc2ccccc2C1)[C@H]1CSC[NH2+]1 ZINC000238096424 131076625 /nfs/dbraw/zinc/07/66/25/131076625.db2.gz NBKPYVZPIZJQNJ-CQSZACIVSA-N 2 2 291.420 0.823 20 0 CCADLP C[C@H](C[NH3+])C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000262024040 131184582 /nfs/dbraw/zinc/18/45/82/131184582.db2.gz ARYHGJXQAXKXQZ-CQSZACIVSA-N 2 2 291.395 0.804 20 0 CCADLP C[NH2+]CCN(C)C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000263248116 131287331 /nfs/dbraw/zinc/28/73/31/131287331.db2.gz NREKCTMWIHYNKU-UHFFFAOYSA-N 2 2 291.395 0.810 20 0 CCADLP CC[NH+]1CCN(CCC(=O)NCCn2cc[nH+]c2C)CC1 ZINC000263706791 131312718 /nfs/dbraw/zinc/31/27/18/131312718.db2.gz PVPKEMJXSINFPQ-UHFFFAOYSA-N 2 2 293.415 0.335 20 0 CCADLP CCN1CC[NH+](CCC(=O)NCCn2cc[nH+]c2C)CC1 ZINC000263706791 131312721 /nfs/dbraw/zinc/31/27/21/131312721.db2.gz PVPKEMJXSINFPQ-UHFFFAOYSA-N 2 2 293.415 0.335 20 0 CCADLP Nc1nc(-n2cccn2)cc(N2CC[NH+](CC3CC3)CC2)[nH+]1 ZINC000268437674 132009094 /nfs/dbraw/zinc/00/90/94/132009094.db2.gz SRSBEDFBXPUCIO-UHFFFAOYSA-N 2 2 299.382 0.777 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000269253336 132143335 /nfs/dbraw/zinc/14/33/35/132143335.db2.gz GTOMDZBVRBHWKT-LBPRGKRZSA-N 2 2 273.340 0.980 20 0 CCADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CC[NH+]1CCOCC1 ZINC000347290838 288984121 /nfs/dbraw/zinc/98/41/21/288984121.db2.gz CJFXIPWZFAVKRY-CABCVRRESA-N 2 2 267.417 0.877 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCCn2nccc21 ZINC000657881197 413070494 /nfs/dbraw/zinc/07/04/94/413070494.db2.gz RMUDLVNVWYKNKM-OLZOCXBDSA-N 2 2 263.389 0.553 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCSCC2)CC1 ZINC000657856031 413069088 /nfs/dbraw/zinc/06/90/88/413069088.db2.gz JSRDRUKQTFVTMR-GFCCVEGCSA-N 2 2 271.430 0.636 20 0 CCADLP CCCC[N@H+](C)C[C@H](C)NC[C@H](O)C[NH+]1CCOCC1 ZINC000575117458 335068350 /nfs/dbraw/zinc/06/83/50/335068350.db2.gz PBPDBRLILUHELD-GJZGRUSLSA-N 2 2 287.448 0.390 20 0 CCADLP CCCC[N@@H+](C)C[C@H](C)NC[C@H](O)C[NH+]1CCOCC1 ZINC000575117458 335068352 /nfs/dbraw/zinc/06/83/52/335068352.db2.gz PBPDBRLILUHELD-GJZGRUSLSA-N 2 2 287.448 0.390 20 0 CCADLP O=C(N[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21)[C@H]1CCCc2[nH+]ccn21 ZINC000960283540 649853029 /nfs/dbraw/zinc/85/30/29/649853029.db2.gz SMVPRCDXOKFVRX-CZXHOFHRSA-N 2 2 292.358 0.776 20 0 CCADLP O=C(N[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21)[C@H]1CCCc2[nH+]ccn21 ZINC000960283540 649853030 /nfs/dbraw/zinc/85/30/30/649853030.db2.gz SMVPRCDXOKFVRX-CZXHOFHRSA-N 2 2 292.358 0.776 20 0 CCADLP O=C(C[NH2+]C1CC1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000037802793 397385173 /nfs/dbraw/zinc/38/51/73/397385173.db2.gz CSSFFVZPXXNANN-UHFFFAOYSA-N 2 2 274.368 0.478 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)N1CCOCC1 ZINC000037917641 397390238 /nfs/dbraw/zinc/39/02/38/397390238.db2.gz OSWLBZQMYSXBFU-KGLIPLIRSA-N 2 2 281.400 0.309 20 0 CCADLP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)N1CCOCC1 ZINC000037917641 397390244 /nfs/dbraw/zinc/39/02/44/397390244.db2.gz OSWLBZQMYSXBFU-KGLIPLIRSA-N 2 2 281.400 0.309 20 0 CCADLP C(C[NH+]1CCOCC1)C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000135569241 397415884 /nfs/dbraw/zinc/41/58/84/397415884.db2.gz JWFBZWSXTWZNEI-KGLIPLIRSA-N 2 2 286.441 0.915 20 0 CCADLP C(C[NH+]1CCOCC1)C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000135569241 397415893 /nfs/dbraw/zinc/41/58/93/397415893.db2.gz JWFBZWSXTWZNEI-KGLIPLIRSA-N 2 2 286.441 0.915 20 0 CCADLP [NH3+]CCOCC[NH+]1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000357069076 144056131 /nfs/dbraw/zinc/05/61/31/144056131.db2.gz GTWGUXXDEAYCTG-UHFFFAOYSA-N 2 2 293.367 0.125 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@H]1CN(C)CC[NH+]1C ZINC000357778457 144120704 /nfs/dbraw/zinc/12/07/04/144120704.db2.gz ICRQAMOFKFNXSS-KBPBESRZSA-N 2 2 299.463 0.260 20 0 CCADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@H]1CN(C)CC[NH+]1C ZINC000357778457 144120706 /nfs/dbraw/zinc/12/07/06/144120706.db2.gz ICRQAMOFKFNXSS-KBPBESRZSA-N 2 2 299.463 0.260 20 0 CCADLP CC(C)[NH+](C)C[C@H](C)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000357778457 144120707 /nfs/dbraw/zinc/12/07/07/144120707.db2.gz ICRQAMOFKFNXSS-KBPBESRZSA-N 2 2 299.463 0.260 20 0 CCADLP CC(C)[NH+](C)C[C@H](C)NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000357778457 144120709 /nfs/dbraw/zinc/12/07/09/144120709.db2.gz ICRQAMOFKFNXSS-KBPBESRZSA-N 2 2 299.463 0.260 20 0 CCADLP COc1cccc(NC(=O)CC[N@@H+]2CCO[C@H](C[NH3+])C2)c1 ZINC000358127017 144155074 /nfs/dbraw/zinc/15/50/74/144155074.db2.gz RYJDEYSTOQCKRT-CQSZACIVSA-N 2 2 293.367 0.683 20 0 CCADLP COc1cccc(NC(=O)CC[N@H+]2CCO[C@H](C[NH3+])C2)c1 ZINC000358127017 144155075 /nfs/dbraw/zinc/15/50/75/144155075.db2.gz RYJDEYSTOQCKRT-CQSZACIVSA-N 2 2 293.367 0.683 20 0 CCADLP C[NH+](C)CCOc1cc(C(=O)NCc2c[nH+]c[nH]2)ccn1 ZINC000358532762 144159170 /nfs/dbraw/zinc/15/91/70/144159170.db2.gz SQJOAEAFJVHGBR-UHFFFAOYSA-N 2 2 289.339 0.675 20 0 CCADLP C[NH+](C)CCOc1cc(C(=O)NCc2c[nH]c[nH+]2)ccn1 ZINC000358532762 144159171 /nfs/dbraw/zinc/15/91/71/144159171.db2.gz SQJOAEAFJVHGBR-UHFFFAOYSA-N 2 2 289.339 0.675 20 0 CCADLP [NH3+]C[C@H](C(=O)NCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000358859931 144183704 /nfs/dbraw/zinc/18/37/04/144183704.db2.gz QCDGMFJHBOTOSE-ZDUSSCGKSA-N 2 2 276.315 0.881 20 0 CCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000359203858 144201592 /nfs/dbraw/zinc/20/15/92/144201592.db2.gz CYWRQTXQVQVOIH-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH+]1CCN(c2nc(C)[nH+]c(N(C)C)n2)CC1 ZINC000359239269 144204810 /nfs/dbraw/zinc/20/48/10/144204810.db2.gz YUSUSDDHXUVDOX-UHFFFAOYSA-N 2 2 250.350 0.388 20 0 CCADLP NC(=O)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000368594969 144234477 /nfs/dbraw/zinc/23/44/77/144234477.db2.gz VIEFEPHWTDBIJR-LSDHHAIUSA-N 2 2 273.380 0.926 20 0 CCADLP NC(=O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000368594969 144234479 /nfs/dbraw/zinc/23/44/79/144234479.db2.gz VIEFEPHWTDBIJR-LSDHHAIUSA-N 2 2 273.380 0.926 20 0 CCADLP NC(=O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000368594969 144234480 /nfs/dbraw/zinc/23/44/80/144234480.db2.gz VIEFEPHWTDBIJR-LSDHHAIUSA-N 2 2 273.380 0.926 20 0 CCADLP NC(=O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000368594969 144234482 /nfs/dbraw/zinc/23/44/82/144234482.db2.gz VIEFEPHWTDBIJR-LSDHHAIUSA-N 2 2 273.380 0.926 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccncc3)C2)CC1 ZINC000369274503 144260787 /nfs/dbraw/zinc/26/07/87/144260787.db2.gz PRZSQUUGPLAABJ-AWEZNQCLSA-N 2 2 288.395 0.980 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccncc3)C2)CC1 ZINC000369274503 144260789 /nfs/dbraw/zinc/26/07/89/144260789.db2.gz PRZSQUUGPLAABJ-AWEZNQCLSA-N 2 2 288.395 0.980 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C(C)C)CC2)C1 ZINC000369679861 144276654 /nfs/dbraw/zinc/27/66/54/144276654.db2.gz LEBPDYCVOYXNOP-CYBMUJFWSA-N 2 2 269.389 0.260 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](C(C)C)CC2)C1 ZINC000369679861 144276655 /nfs/dbraw/zinc/27/66/55/144276655.db2.gz LEBPDYCVOYXNOP-CYBMUJFWSA-N 2 2 269.389 0.260 20 0 CCADLP O=C(NCCCNc1cccc[nH+]1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000370407108 144301523 /nfs/dbraw/zinc/30/15/23/144301523.db2.gz OZZBHWFLCVSSCY-WFASDCNBSA-N 2 2 274.368 0.999 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000370657920 144311828 /nfs/dbraw/zinc/31/18/28/144311828.db2.gz LVVUPYSZKQUZCV-GHMZBOCLSA-N 2 2 273.340 0.867 20 0 CCADLP COc1cc[nH+]cc1Cn1cc(C[NH2+]C2CC2)nn1 ZINC000389188634 397510132 /nfs/dbraw/zinc/51/01/32/397510132.db2.gz NKLVADNFYPFQBY-UHFFFAOYSA-N 2 2 259.313 0.982 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000440362149 397542927 /nfs/dbraw/zinc/54/29/27/397542927.db2.gz WTZPXZGNYOFPQN-HNNXBMFYSA-N 2 2 297.443 0.803 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000440362149 397542931 /nfs/dbraw/zinc/54/29/31/397542931.db2.gz WTZPXZGNYOFPQN-HNNXBMFYSA-N 2 2 297.443 0.803 20 0 CCADLP CCOCCNC(=O)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000440362149 397542932 /nfs/dbraw/zinc/54/29/32/397542932.db2.gz WTZPXZGNYOFPQN-HNNXBMFYSA-N 2 2 297.443 0.803 20 0 CCADLP CCOCCNC(=O)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000440362149 397542934 /nfs/dbraw/zinc/54/29/34/397542934.db2.gz WTZPXZGNYOFPQN-HNNXBMFYSA-N 2 2 297.443 0.803 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000649618688 397648477 /nfs/dbraw/zinc/64/84/77/397648477.db2.gz JUTPLLDUPNCWHD-ILXRZTDVSA-N 2 2 268.401 0.990 20 0 CCADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000649618688 397648479 /nfs/dbraw/zinc/64/84/79/397648479.db2.gz JUTPLLDUPNCWHD-ILXRZTDVSA-N 2 2 268.401 0.990 20 0 CCADLP Cc1cc(N2CC[C@@H]([N@H+](C)CCC[NH3+])C2=O)n(C)n1 ZINC000649410186 397605973 /nfs/dbraw/zinc/60/59/73/397605973.db2.gz XNFPNKIAAYOFKF-LLVKDONJSA-N 2 2 265.361 0.114 20 0 CCADLP Cc1cc(N2CC[C@@H]([N@@H+](C)CCC[NH3+])C2=O)n(C)n1 ZINC000649410186 397605975 /nfs/dbraw/zinc/60/59/75/397605975.db2.gz XNFPNKIAAYOFKF-LLVKDONJSA-N 2 2 265.361 0.114 20 0 CCADLP Cc1ccnc(NC(=O)C[N@H+](C)CCN2CC[NH2+]CC2)c1 ZINC000649411999 397606988 /nfs/dbraw/zinc/60/69/88/397606988.db2.gz BTFNANIORIAYBY-UHFFFAOYSA-N 2 2 291.399 0.166 20 0 CCADLP Cc1ccnc(NC(=O)C[N@@H+](C)CCN2CC[NH2+]CC2)c1 ZINC000649411999 397606989 /nfs/dbraw/zinc/60/69/89/397606989.db2.gz BTFNANIORIAYBY-UHFFFAOYSA-N 2 2 291.399 0.166 20 0 CCADLP CCn1nccc1CC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649686007 397656277 /nfs/dbraw/zinc/65/62/77/397656277.db2.gz VCLYBHVJFIDUEJ-UHFFFAOYSA-N 2 2 293.415 0.151 20 0 CCADLP CCn1nccc1CC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649686007 397656280 /nfs/dbraw/zinc/65/62/80/397656280.db2.gz VCLYBHVJFIDUEJ-UHFFFAOYSA-N 2 2 293.415 0.151 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCC(F)(F)C2)CC1 ZINC000649695475 397657828 /nfs/dbraw/zinc/65/78/28/397657828.db2.gz WQNCVGHRLJSPGR-UHFFFAOYSA-N 2 2 275.343 0.882 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCCC(F)(F)C2)CC1 ZINC000649695475 397657829 /nfs/dbraw/zinc/65/78/29/397657829.db2.gz WQNCVGHRLJSPGR-UHFFFAOYSA-N 2 2 275.343 0.882 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCC(=O)N1 ZINC000649549858 397633415 /nfs/dbraw/zinc/63/34/15/397633415.db2.gz UQBBUIUXIYJUFJ-XQQFMLRXSA-N 2 2 251.374 0.824 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CCC(=O)N1 ZINC000649549858 397633419 /nfs/dbraw/zinc/63/34/19/397633419.db2.gz UQBBUIUXIYJUFJ-XQQFMLRXSA-N 2 2 251.374 0.824 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCC(=O)N1 ZINC000649549858 397633420 /nfs/dbraw/zinc/63/34/20/397633420.db2.gz UQBBUIUXIYJUFJ-XQQFMLRXSA-N 2 2 251.374 0.824 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCC(=O)N1 ZINC000649549858 397633421 /nfs/dbraw/zinc/63/34/21/397633421.db2.gz UQBBUIUXIYJUFJ-XQQFMLRXSA-N 2 2 251.374 0.824 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)C[NH+]1CCOCC1 ZINC000548191461 286015246 /nfs/dbraw/zinc/01/52/46/286015246.db2.gz VCZPNNHVRRIOFR-LBPRGKRZSA-N 2 2 280.372 0.047 20 0 CCADLP Cc1ccc(S(=O)(=O)NCC[N@H+](C)CCC[NH3+])cc1 ZINC000414701483 292181371 /nfs/dbraw/zinc/18/13/71/292181371.db2.gz HKTPBWDYQLVYQV-UHFFFAOYSA-N 2 2 285.413 0.554 20 0 CCADLP Cc1ccc(S(=O)(=O)NCC[N@@H+](C)CCC[NH3+])cc1 ZINC000414701483 292181373 /nfs/dbraw/zinc/18/13/73/292181373.db2.gz HKTPBWDYQLVYQV-UHFFFAOYSA-N 2 2 285.413 0.554 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]CC2Cc3ccccc3C2)CC1 ZINC000685840515 545858838 /nfs/dbraw/zinc/85/88/38/545858838.db2.gz AOELTYYHHYEGBJ-UHFFFAOYSA-N 2 2 287.407 0.765 20 0 CCADLP c1ccc(CC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)nc1 ZINC000422734912 296613000 /nfs/dbraw/zinc/61/30/00/296613000.db2.gz UVYCMZFMGBYALK-CABCVRRESA-N 2 2 261.369 0.981 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000548813141 286070717 /nfs/dbraw/zinc/07/07/17/286070717.db2.gz HJFORQYIXIDIKC-CYBMUJFWSA-N 2 2 271.324 0.451 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357085150 286069036 /nfs/dbraw/zinc/06/90/36/286069036.db2.gz QLCNUGRFIGZVGZ-IHRRRGAJSA-N 2 2 283.416 0.459 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357085150 286069037 /nfs/dbraw/zinc/06/90/37/286069037.db2.gz QLCNUGRFIGZVGZ-IHRRRGAJSA-N 2 2 283.416 0.459 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC000123803086 286085538 /nfs/dbraw/zinc/08/55/38/286085538.db2.gz AIMWJJRHIKXNES-CYBMUJFWSA-N 2 2 271.405 0.507 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000549830160 286101107 /nfs/dbraw/zinc/10/11/07/286101107.db2.gz QLOXXNDUYCCBMH-CQSZACIVSA-N 2 2 290.371 0.612 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000549830160 286101108 /nfs/dbraw/zinc/10/11/08/286101108.db2.gz QLOXXNDUYCCBMH-CQSZACIVSA-N 2 2 290.371 0.612 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)C(C)(C)C1)[NH+]1CCSCC1 ZINC000550118057 286103834 /nfs/dbraw/zinc/10/38/34/286103834.db2.gz ZFMXTGFVKKYIHI-GFCCVEGCSA-N 2 2 285.457 0.976 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)C(C)(C)C1)[NH+]1CCSCC1 ZINC000550118057 286103835 /nfs/dbraw/zinc/10/38/35/286103835.db2.gz ZFMXTGFVKKYIHI-GFCCVEGCSA-N 2 2 285.457 0.976 20 0 CCADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000417501483 297113042 /nfs/dbraw/zinc/11/30/42/297113042.db2.gz IVKMHPXDTCHJTJ-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000417501483 297113044 /nfs/dbraw/zinc/11/30/44/297113044.db2.gz IVKMHPXDTCHJTJ-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261583150 298129411 /nfs/dbraw/zinc/12/94/11/298129411.db2.gz RPSZQTFKLMUZTC-IJLUTSLNSA-N 2 2 253.390 0.831 20 0 CCADLP C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261583150 298129414 /nfs/dbraw/zinc/12/94/14/298129414.db2.gz RPSZQTFKLMUZTC-IJLUTSLNSA-N 2 2 253.390 0.831 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCC(=O)NC(C)(C)C ZINC000134201305 286893675 /nfs/dbraw/zinc/89/36/75/286893675.db2.gz CLYGMWCDEHZBLK-RYUDHWBXSA-N 2 2 271.405 0.648 20 0 CCADLP CC1(C)CCC[NH2+][C@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659358031 413441936 /nfs/dbraw/zinc/44/19/36/413441936.db2.gz OGPDFFRJKUGOTR-KBPBESRZSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@]1(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CCC[NH2+]1 ZINC000659359253 413441865 /nfs/dbraw/zinc/44/18/65/413441865.db2.gz XLPGTOJQTVPSIB-OCCSQVGLSA-N 2 2 267.373 0.062 20 0 CCADLP CC[C@@H]1CN(CC[NH2+][C@H]2C[N@H+](C)C[C@H]2C)CCO1 ZINC000487190483 287195962 /nfs/dbraw/zinc/19/59/62/287195962.db2.gz QYXMEPKOSCISFJ-MCIONIFRSA-N 2 2 255.406 0.637 20 0 CCADLP CC[C@@H]1CN(CC[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CCO1 ZINC000487190483 287195963 /nfs/dbraw/zinc/19/59/63/287195963.db2.gz QYXMEPKOSCISFJ-MCIONIFRSA-N 2 2 255.406 0.637 20 0 CCADLP CC[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1[NH3+] ZINC000122435025 411706532 /nfs/dbraw/zinc/70/65/32/411706532.db2.gz CWSSNGFOAJPONJ-RYUDHWBXSA-N 2 2 250.346 0.859 20 0 CCADLP Cc1cc(NC(=O)CC[N@@H+]2CCO[C@@H]([C@@H](C)[NH3+])C2)no1 ZINC000128572591 411718285 /nfs/dbraw/zinc/71/82/85/411718285.db2.gz HKHLWZMMJKZLHS-GHMZBOCLSA-N 2 2 282.344 0.360 20 0 CCADLP Cc1cc(NC(=O)CC[N@H+]2CCO[C@@H]([C@@H](C)[NH3+])C2)no1 ZINC000128572591 411718288 /nfs/dbraw/zinc/71/82/88/411718288.db2.gz HKHLWZMMJKZLHS-GHMZBOCLSA-N 2 2 282.344 0.360 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)[C@@H](C[NH3+])C1 ZINC000402779200 411784531 /nfs/dbraw/zinc/78/45/31/411784531.db2.gz BPYLQKPCSKDFQN-ZOBORPQBSA-N 2 2 263.385 0.690 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)[C@@H](C[NH3+])C1 ZINC000402779200 411784535 /nfs/dbraw/zinc/78/45/35/411784535.db2.gz BPYLQKPCSKDFQN-ZOBORPQBSA-N 2 2 263.385 0.690 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407308185 411805486 /nfs/dbraw/zinc/80/54/86/411805486.db2.gz FRJVBXHHASEYDT-WXHSDQCUSA-N 2 2 262.357 0.918 20 0 CCADLP O=C([C@H]1CC[C@@H](C2CC2)[NH2+]1)N1CC[NH+](C2CC2)CC1 ZINC000407460574 411808600 /nfs/dbraw/zinc/80/86/00/411808600.db2.gz RMVAYEZTJVKHIW-UONOGXRCSA-N 2 2 263.385 0.824 20 0 CCADLP CCc1cc(N2CCN(CC[NH+](C)C)C(=O)C2)nc(C)[nH+]1 ZINC000651383268 411859429 /nfs/dbraw/zinc/85/94/29/411859429.db2.gz SETJZIQVTMFVNH-UHFFFAOYSA-N 2 2 291.399 0.558 20 0 CCADLP C[NH+](C)CCOCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651667587 411916416 /nfs/dbraw/zinc/91/64/16/411916416.db2.gz IXADZCBVSCQWDP-UHFFFAOYSA-N 2 2 294.399 0.456 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000284524843 196076801 /nfs/dbraw/zinc/07/68/01/196076801.db2.gz WKIAEQQJOQHJRV-VBROQKIQSA-N 2 2 292.383 0.776 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000284524843 196076802 /nfs/dbraw/zinc/07/68/02/196076802.db2.gz WKIAEQQJOQHJRV-VBROQKIQSA-N 2 2 292.383 0.776 20 0 CCADLP Cn1nnc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)n1 ZINC000652363907 412040545 /nfs/dbraw/zinc/04/05/45/412040545.db2.gz RODICYLLSFJYMO-TUAOUCFPSA-N 2 2 280.376 0.071 20 0 CCADLP Cn1nnc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)n1 ZINC000652363907 412040548 /nfs/dbraw/zinc/04/05/48/412040548.db2.gz RODICYLLSFJYMO-TUAOUCFPSA-N 2 2 280.376 0.071 20 0 CCADLP Cc1noc([C@@H]2C[N@@H+](CCn3cc[nH+]c3)CCN2C)n1 ZINC000284572775 196087687 /nfs/dbraw/zinc/08/76/87/196087687.db2.gz IUQWFHYZTIIQEB-LBPRGKRZSA-N 2 2 276.344 0.563 20 0 CCADLP Cc1noc([C@@H]2C[N@H+](CCn3cc[nH+]c3)CCN2C)n1 ZINC000284572775 196087689 /nfs/dbraw/zinc/08/76/89/196087689.db2.gz IUQWFHYZTIIQEB-LBPRGKRZSA-N 2 2 276.344 0.563 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000653048517 412201415 /nfs/dbraw/zinc/20/14/15/412201415.db2.gz GDDAZNSSNKBRTR-CYBMUJFWSA-N 3 2 276.384 0.402 20 0 CCADLP C[C@H](CC(=O)N(C)CCN1CC[NH2+]CC1)n1cc[nH+]c1 ZINC000653049323 412201623 /nfs/dbraw/zinc/20/16/23/412201623.db2.gz CTKMTQLIZVLHEU-CYBMUJFWSA-N 2 2 279.388 0.198 20 0 CCADLP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653054041 412202303 /nfs/dbraw/zinc/20/23/03/412202303.db2.gz RRHNQVYOYIIGAH-ZWNOBZJWSA-N 3 2 264.373 0.924 20 0 CCADLP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653054247 412202489 /nfs/dbraw/zinc/20/24/89/412202489.db2.gz HZDWECQHSGENFM-FZMZJTMJSA-N 3 2 278.400 0.602 20 0 CCADLP CC[C@@H]1CO[C@H](C)CN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653058669 412206036 /nfs/dbraw/zinc/20/60/36/412206036.db2.gz BALJXZXRQRBVSA-UTUOFQBUSA-N 2 2 257.378 0.291 20 0 CCADLP COCc1ccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653068658 412206882 /nfs/dbraw/zinc/20/68/82/412206882.db2.gz LSHOMSRYGHPKKM-AWEZNQCLSA-N 2 2 279.384 0.728 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1ccc(F)c(F)c1 ZINC000653064719 412206947 /nfs/dbraw/zinc/20/69/47/412206947.db2.gz BPSRZZUORMRWEJ-LBPRGKRZSA-N 2 2 271.311 0.860 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCc2sccc2C1 ZINC000653063774 412207850 /nfs/dbraw/zinc/20/78/50/412207850.db2.gz WKJVSQWAIHMNJH-NSHDSACASA-N 2 2 267.398 0.912 20 0 CCADLP C[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1ccc2c(c1)OCO2 ZINC000653063309 412207970 /nfs/dbraw/zinc/20/79/70/412207970.db2.gz BLUIMRXGWULCJN-JQWIXIFHSA-N 2 2 293.367 0.872 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H](O)C1CCCCC1 ZINC000653072361 412208688 /nfs/dbraw/zinc/20/86/88/412208688.db2.gz OZMOPWMLNUANCU-STQMWFEESA-N 2 2 271.405 0.323 20 0 CCADLP CCCN(CC(F)F)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653082771 412212551 /nfs/dbraw/zinc/21/25/51/412212551.db2.gz DEJLIGCBWGQWLK-VIFPVBQESA-N 2 2 251.321 0.769 20 0 CCADLP C[C@@H](CC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)n1cc[nH+]c1 ZINC000652894086 412152638 /nfs/dbraw/zinc/15/26/38/412152638.db2.gz IFSUXTYVJKLXPA-WCQYABFASA-N 2 2 278.356 0.112 20 0 CCADLP C[C@@H](CC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)n1cc[nH+]c1 ZINC000652894086 412152640 /nfs/dbraw/zinc/15/26/40/412152640.db2.gz IFSUXTYVJKLXPA-WCQYABFASA-N 2 2 278.356 0.112 20 0 CCADLP [NH3+]CC1(CCNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000653222598 412262030 /nfs/dbraw/zinc/26/20/30/412262030.db2.gz IJUKDKVYPNCHOY-AWEZNQCLSA-N 2 2 295.427 0.875 20 0 CCADLP [NH3+]CC1(CCNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000653222598 412262033 /nfs/dbraw/zinc/26/20/33/412262033.db2.gz IJUKDKVYPNCHOY-AWEZNQCLSA-N 2 2 295.427 0.875 20 0 CCADLP CCO[C@@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)C[C@H]1C[NH3+] ZINC000653247458 412267608 /nfs/dbraw/zinc/26/76/08/412267608.db2.gz BKEIPZDFMQRMEA-CHWSQXEVSA-N 2 2 288.351 0.770 20 0 CCADLP CO[C@@H]1CCCC[C@H]1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653255765 412272467 /nfs/dbraw/zinc/27/24/67/412272467.db2.gz DKJLVGBHFJNCFD-IJLUTSLNSA-N 2 2 257.378 0.339 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC(C)(C)OCC1(C)C ZINC000653092131 412216141 /nfs/dbraw/zinc/21/61/41/412216141.db2.gz SIXNTCVGQBKTNL-NSHDSACASA-N 2 2 271.405 0.681 20 0 CCADLP CC[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1c(C)nn(C)c1C ZINC000653098662 412216762 /nfs/dbraw/zinc/21/67/62/412216762.db2.gz UQGGFNDJWKLSFN-CHWSQXEVSA-N 2 2 295.431 0.883 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCOC[C@H]1c1ccccc1 ZINC000653097248 412216868 /nfs/dbraw/zinc/21/68/68/412216868.db2.gz HSPXXJDRJRRZKU-GJZGRUSLSA-N 2 2 291.395 0.866 20 0 CCADLP Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)CO2 ZINC000653098403 412217249 /nfs/dbraw/zinc/21/72/49/412217249.db2.gz MMIUJNNNWJKVEN-QWHCGFSZSA-N 2 2 277.368 0.824 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC(C)(C)[C@H]1CCCCO1 ZINC000653104531 412219719 /nfs/dbraw/zinc/21/97/19/412219719.db2.gz KJQVRBADHQBYLO-CHWSQXEVSA-N 2 2 285.432 0.977 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCc1nc2ccccc2[nH]1 ZINC000653106899 412220359 /nfs/dbraw/zinc/22/03/59/412220359.db2.gz PQFIUYYOKZVXJV-NSHDSACASA-N 2 2 289.383 0.501 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000653107678 412221658 /nfs/dbraw/zinc/22/16/58/412221658.db2.gz TXJOXKWOWLNMCQ-CYBMUJFWSA-N 2 2 291.399 0.899 20 0 CCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653109444 412222737 /nfs/dbraw/zinc/22/27/37/412222737.db2.gz BNZKPCBTHPLBMB-QWHCGFSZSA-N 3 2 270.421 0.256 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000653111600 412223287 /nfs/dbraw/zinc/22/32/87/412223287.db2.gz UNYHZJOOGGWNMA-KBPBESRZSA-N 3 2 282.432 0.352 20 0 CCADLP C[C@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)C[NH+]1CCCCC1 ZINC000653111933 412224791 /nfs/dbraw/zinc/22/47/91/412224791.db2.gz GZOMOJPWICACRD-ZIAGYGMSSA-N 3 2 284.448 0.504 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653114071 412225399 /nfs/dbraw/zinc/22/53/99/412225399.db2.gz XCWYQIOUQZSAKZ-UONOGXRCSA-N 3 2 284.448 0.502 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653114071 412225402 /nfs/dbraw/zinc/22/54/02/412225402.db2.gz XCWYQIOUQZSAKZ-UONOGXRCSA-N 3 2 284.448 0.502 20 0 CCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653115670 412226558 /nfs/dbraw/zinc/22/65/58/412226558.db2.gz WUQUJTNOLWTXTO-VXGBXAGGSA-N 3 2 258.410 0.112 20 0 CCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653115670 412226561 /nfs/dbraw/zinc/22/65/61/412226561.db2.gz WUQUJTNOLWTXTO-VXGBXAGGSA-N 3 2 258.410 0.112 20 0 CCADLP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653116736 412228103 /nfs/dbraw/zinc/22/81/03/412228103.db2.gz QKDYVOWXWYJSKS-MJBXVCDLSA-N 3 2 284.448 0.645 20 0 CCADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653116736 412228106 /nfs/dbraw/zinc/22/81/06/412228106.db2.gz QKDYVOWXWYJSKS-MJBXVCDLSA-N 3 2 284.448 0.645 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCN(c2cccs2)CC1 ZINC000653121828 412228871 /nfs/dbraw/zinc/22/88/71/412228871.db2.gz DEWRMGLBHKGPOI-LBPRGKRZSA-N 2 2 296.440 0.676 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000653123064 412231491 /nfs/dbraw/zinc/23/14/91/412231491.db2.gz MRMGJXXBHPPMDB-GJZGRUSLSA-N 3 2 296.459 0.456 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000653123064 412231493 /nfs/dbraw/zinc/23/14/93/412231493.db2.gz MRMGJXXBHPPMDB-GJZGRUSLSA-N 3 2 296.459 0.456 20 0 CCADLP CCc1cnc(CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)s1 ZINC000653123332 412231599 /nfs/dbraw/zinc/23/15/99/412231599.db2.gz VLTCEWCCKNFPBB-NSHDSACASA-N 2 2 284.429 0.643 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000653136338 412237438 /nfs/dbraw/zinc/23/74/38/412237438.db2.gz MPUZMZMBXRUMKO-OAHLLOKOSA-N 3 2 292.427 0.643 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653149173 412241837 /nfs/dbraw/zinc/24/18/37/412241837.db2.gz ZCLXIDKFHJVNSY-KGLIPLIRSA-N 2 2 281.400 0.308 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N(Cc1ccccn1)C1CC1 ZINC000653148400 412242151 /nfs/dbraw/zinc/24/21/51/412242151.db2.gz ZZCPVHNPHCEQGL-AWEZNQCLSA-N 2 2 276.384 0.852 20 0 CCADLP CCC[C@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CCO1 ZINC000653151159 412243459 /nfs/dbraw/zinc/24/34/59/412243459.db2.gz YXRNIMXAWZNYMB-NWDGAFQWSA-N 2 2 257.378 0.293 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCO[C@H](c2ccco2)C1 ZINC000653175117 412252620 /nfs/dbraw/zinc/25/26/20/412252620.db2.gz OGHUHQKLHFCZDX-YPMHNXCESA-N 2 2 281.356 0.459 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC12CCOCC2 ZINC000653644000 412329185 /nfs/dbraw/zinc/32/91/85/412329185.db2.gz HDRSMLAKFPWHND-CYBMUJFWSA-N 2 2 272.389 0.180 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC12CCOCC2 ZINC000653644000 412329188 /nfs/dbraw/zinc/32/91/88/412329188.db2.gz HDRSMLAKFPWHND-CYBMUJFWSA-N 2 2 272.389 0.180 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC12CCOCC2 ZINC000653644000 412329190 /nfs/dbraw/zinc/32/91/90/412329190.db2.gz HDRSMLAKFPWHND-CYBMUJFWSA-N 2 2 272.389 0.180 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC12CCOCC2 ZINC000653644000 412329191 /nfs/dbraw/zinc/32/91/91/412329191.db2.gz HDRSMLAKFPWHND-CYBMUJFWSA-N 2 2 272.389 0.180 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2cccnc2)C1 ZINC000653775694 412344306 /nfs/dbraw/zinc/34/43/06/412344306.db2.gz FIIQIQTUEUXVFD-CVEARBPZSA-N 2 2 293.411 0.810 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2cccnc2)C1 ZINC000653775694 412344309 /nfs/dbraw/zinc/34/43/09/412344309.db2.gz FIIQIQTUEUXVFD-CVEARBPZSA-N 2 2 293.411 0.810 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000653775694 412344311 /nfs/dbraw/zinc/34/43/11/412344311.db2.gz FIIQIQTUEUXVFD-CVEARBPZSA-N 2 2 293.411 0.810 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000653775694 412344312 /nfs/dbraw/zinc/34/43/12/412344312.db2.gz FIIQIQTUEUXVFD-CVEARBPZSA-N 2 2 293.411 0.810 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCN(c2nncn2C)CC1 ZINC000653823485 412353515 /nfs/dbraw/zinc/35/35/15/412353515.db2.gz FQIHYVKUDCDTLA-UHFFFAOYSA-N 2 2 275.360 0.142 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000654392062 412391514 /nfs/dbraw/zinc/39/15/14/412391514.db2.gz JCYGAQKHQLEJNJ-CABCVRRESA-N 2 2 295.427 0.651 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000654392062 412391517 /nfs/dbraw/zinc/39/15/17/412391517.db2.gz JCYGAQKHQLEJNJ-CABCVRRESA-N 2 2 295.427 0.651 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654428052 412395766 /nfs/dbraw/zinc/39/57/66/412395766.db2.gz MHGDESUIQZSICI-MCIONIFRSA-N 2 2 298.431 0.347 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654428052 412395767 /nfs/dbraw/zinc/39/57/67/412395767.db2.gz MHGDESUIQZSICI-MCIONIFRSA-N 2 2 298.431 0.347 20 0 CCADLP C[NH+](C)CC(C)(C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000654659087 412424043 /nfs/dbraw/zinc/42/40/43/412424043.db2.gz HMMWECDPZXPBMX-LLVKDONJSA-N 2 2 264.373 0.902 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000654732784 412433098 /nfs/dbraw/zinc/43/30/98/412433098.db2.gz GJHYOXRNZCCUPI-CYBMUJFWSA-N 3 2 295.431 0.540 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000654732784 412433100 /nfs/dbraw/zinc/43/31/00/412433100.db2.gz GJHYOXRNZCCUPI-CYBMUJFWSA-N 3 2 295.431 0.540 20 0 CCADLP CN(CC(C)(C)[NH3+])C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000659425639 413491009 /nfs/dbraw/zinc/49/10/09/413491009.db2.gz OIYVTGOXNMTXAK-UHFFFAOYSA-N 2 2 286.420 0.476 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000659427950 413494762 /nfs/dbraw/zinc/49/47/62/413494762.db2.gz KVALTJDHULVTQO-SNVBAGLBSA-N 2 2 261.329 0.741 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000659448527 413505501 /nfs/dbraw/zinc/50/55/01/413505501.db2.gz WMUAUOKBCCFZPF-NSHDSACASA-N 2 2 272.393 0.004 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000659448527 413505508 /nfs/dbraw/zinc/50/55/08/413505508.db2.gz WMUAUOKBCCFZPF-NSHDSACASA-N 2 2 272.393 0.004 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)N(C)CCC[NH3+])c2[nH+]ccn21 ZINC000659502295 413555162 /nfs/dbraw/zinc/55/51/62/413555162.db2.gz VEQOFKAJWRHWAS-NXEZZACHSA-N 2 2 251.334 0.879 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)NC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000659548246 413637656 /nfs/dbraw/zinc/63/76/56/413637656.db2.gz HJMWWBXQRWHAAG-OLZOCXBDSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H](NC(=O)NC[C@@H]([NH3+])C1CC1)c1[nH+]ccn1C ZINC000659529161 413610526 /nfs/dbraw/zinc/61/05/26/413610526.db2.gz ZPUYHGJVAZHHCU-PSASIEDQSA-N 2 2 251.334 0.518 20 0 CCADLP C[C@H](NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)c1[nH+]ccn1C ZINC000659627289 413723319 /nfs/dbraw/zinc/72/33/19/413723319.db2.gz GZEQHKNWFONRRT-VWYCJHECSA-N 2 2 265.361 0.873 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000659646117 413751399 /nfs/dbraw/zinc/75/13/99/413751399.db2.gz LOMYOYLYOKYYSZ-ZDUSSCGKSA-N 3 2 299.463 0.262 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000659646117 413751405 /nfs/dbraw/zinc/75/14/05/413751405.db2.gz LOMYOYLYOKYYSZ-ZDUSSCGKSA-N 3 2 299.463 0.262 20 0 CCADLP CNS(=O)(=O)c1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000659851618 413917697 /nfs/dbraw/zinc/91/76/97/413917697.db2.gz ZVHSQDFUPFQVEY-CHWSQXEVSA-N 2 2 295.408 0.246 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CN1CCOCC1 ZINC000659959261 413997554 /nfs/dbraw/zinc/99/75/54/413997554.db2.gz FOHMLKMIRWHDJK-JKSUJKDBSA-N 2 2 299.459 0.484 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CN1CCOCC1 ZINC000659959261 413997568 /nfs/dbraw/zinc/99/75/68/413997568.db2.gz FOHMLKMIRWHDJK-JKSUJKDBSA-N 2 2 299.459 0.484 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000659959261 413997577 /nfs/dbraw/zinc/99/75/77/413997577.db2.gz FOHMLKMIRWHDJK-JKSUJKDBSA-N 2 2 299.459 0.484 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000659959261 413997588 /nfs/dbraw/zinc/99/75/88/413997588.db2.gz FOHMLKMIRWHDJK-JKSUJKDBSA-N 2 2 299.459 0.484 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)CN1CCC[C@H]1C[NH+]1CCOCC1 ZINC000659959261 413997598 /nfs/dbraw/zinc/99/75/98/413997598.db2.gz FOHMLKMIRWHDJK-JKSUJKDBSA-N 2 2 299.459 0.484 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)CN1CCC[C@H]1C[NH+]1CCOCC1 ZINC000659959261 413997607 /nfs/dbraw/zinc/99/76/07/413997607.db2.gz FOHMLKMIRWHDJK-JKSUJKDBSA-N 2 2 299.459 0.484 20 0 CCADLP CCC1(O)CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000659957784 413999887 /nfs/dbraw/zinc/99/98/87/413999887.db2.gz MRBNSMAHAWWCIX-CYBMUJFWSA-N 2 2 258.406 0.924 20 0 CCADLP CCC1(O)CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000659957784 413999892 /nfs/dbraw/zinc/99/98/92/413999892.db2.gz MRBNSMAHAWWCIX-CYBMUJFWSA-N 2 2 258.406 0.924 20 0 CCADLP CO[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)[C@H]1CCOC1 ZINC000659956901 414002110 /nfs/dbraw/zinc/00/21/10/414002110.db2.gz VVBDUTWDLUIZKC-OWCLPIDISA-N 2 2 298.427 0.692 20 0 CCADLP CO[C@H](C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)[C@H]1CCOC1 ZINC000659956901 414002117 /nfs/dbraw/zinc/00/21/17/414002117.db2.gz VVBDUTWDLUIZKC-OWCLPIDISA-N 2 2 298.427 0.692 20 0 CCADLP CCCN(C(=O)CCn1cc[nH+]c1)[C@@H]1CC[NH2+]C1 ZINC000037540075 173261481 /nfs/dbraw/zinc/26/14/81/173261481.db2.gz MCBDOZFOSBNAJC-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP C[C@H]1C[N@H+](CCc2cn[nH]n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000660152944 414160839 /nfs/dbraw/zinc/16/08/39/414160839.db2.gz DFXGAACOAOIGSA-DZGCQCFKSA-N 2 2 292.431 0.305 20 0 CCADLP C[C@H]1C[N@@H+](CCc2cn[nH]n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000660152944 414160848 /nfs/dbraw/zinc/16/08/48/414160848.db2.gz DFXGAACOAOIGSA-DZGCQCFKSA-N 2 2 292.431 0.305 20 0 CCADLP C[C@H]1C[N@H+](CCc2c[nH]nn2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000660152944 414160855 /nfs/dbraw/zinc/16/08/55/414160855.db2.gz DFXGAACOAOIGSA-DZGCQCFKSA-N 2 2 292.431 0.305 20 0 CCADLP C[C@H]1C[N@@H+](CCc2c[nH]nn2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000660152944 414160864 /nfs/dbraw/zinc/16/08/64/414160864.db2.gz DFXGAACOAOIGSA-DZGCQCFKSA-N 2 2 292.431 0.305 20 0 CCADLP O[C@]1(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)CCCOC1 ZINC000660418926 414307235 /nfs/dbraw/zinc/30/72/35/414307235.db2.gz GBSKIJIZIVLKGO-ZDUSSCGKSA-N 2 2 266.345 0.073 20 0 CCADLP CCOC[C@@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660474199 414342150 /nfs/dbraw/zinc/34/21/50/414342150.db2.gz ZEMAYSMPENNCGT-GJZGRUSLSA-N 2 2 286.416 0.571 20 0 CCADLP CCOC[C@@H](O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660474199 414342158 /nfs/dbraw/zinc/34/21/58/414342158.db2.gz ZEMAYSMPENNCGT-GJZGRUSLSA-N 2 2 286.416 0.571 20 0 CCADLP CN1CCC[C@H]([N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1=O ZINC000660477493 414348300 /nfs/dbraw/zinc/34/83/00/414348300.db2.gz HORLDXJKWQYKBY-CABCVRRESA-N 2 2 295.427 0.794 20 0 CCADLP CN1CCC[C@H]([N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1=O ZINC000660477493 414348307 /nfs/dbraw/zinc/34/83/07/414348307.db2.gz HORLDXJKWQYKBY-CABCVRRESA-N 2 2 295.427 0.794 20 0 CCADLP COC[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)OC ZINC000660483732 414355900 /nfs/dbraw/zinc/35/59/00/414355900.db2.gz KQERFOILXSXIOL-CABCVRRESA-N 2 2 286.416 0.692 20 0 CCADLP COC[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)OC ZINC000660483732 414355910 /nfs/dbraw/zinc/35/59/10/414355910.db2.gz KQERFOILXSXIOL-CABCVRRESA-N 2 2 286.416 0.692 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](CCO)[C@H]1CCO[C@H]1C ZINC000660455492 414332753 /nfs/dbraw/zinc/33/27/53/414332753.db2.gz BUSPDIBJMJRFFD-MJBXVCDLSA-N 2 2 274.405 0.159 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](CCO)[C@H]1CCO[C@H]1C ZINC000660455492 414332756 /nfs/dbraw/zinc/33/27/56/414332756.db2.gz BUSPDIBJMJRFFD-MJBXVCDLSA-N 2 2 274.405 0.159 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](CCO)[C@H]1CCO[C@H]1C ZINC000660455492 414332760 /nfs/dbraw/zinc/33/27/60/414332760.db2.gz BUSPDIBJMJRFFD-MJBXVCDLSA-N 2 2 274.405 0.159 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](CCO)[C@H]1CCO[C@H]1C ZINC000660455492 414332763 /nfs/dbraw/zinc/33/27/63/414332763.db2.gz BUSPDIBJMJRFFD-MJBXVCDLSA-N 2 2 274.405 0.159 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)c2[nH+]ccn2C)C1 ZINC000660704745 414453826 /nfs/dbraw/zinc/45/38/26/414453826.db2.gz CKUFHXCEEWEQCH-RYUDHWBXSA-N 2 2 295.387 0.501 20 0 CCADLP COCC(COC)[NH+]1CCN(CCn2cc[nH+]c2C)CC1 ZINC000660798853 414484957 /nfs/dbraw/zinc/48/49/57/414484957.db2.gz QQSOWZRFPOXGAX-UHFFFAOYSA-N 2 2 296.415 0.471 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000660827227 414492613 /nfs/dbraw/zinc/49/26/13/414492613.db2.gz XMPKUCASUKDOGW-ZDUSSCGKSA-N 2 2 297.428 0.988 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+](C)[C@@H](CO)Cc1ccccc1)C1CC1 ZINC000661091005 414553141 /nfs/dbraw/zinc/55/31/41/414553141.db2.gz DEYXIWWYEPMQEG-SJORKVTESA-N 2 2 292.423 0.977 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+](C)[C@@H](CO)Cc1ccccc1)C1CC1 ZINC000661091005 414553144 /nfs/dbraw/zinc/55/31/44/414553144.db2.gz DEYXIWWYEPMQEG-SJORKVTESA-N 2 2 292.423 0.977 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@@H](CO)Cc1ccccc1 ZINC000661091005 414553148 /nfs/dbraw/zinc/55/31/48/414553148.db2.gz DEYXIWWYEPMQEG-SJORKVTESA-N 2 2 292.423 0.977 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H](CO)Cc1ccccc1 ZINC000661091005 414553152 /nfs/dbraw/zinc/55/31/52/414553152.db2.gz DEYXIWWYEPMQEG-SJORKVTESA-N 2 2 292.423 0.977 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCO[C@](C)(C2CC2)C1 ZINC000661171302 414573907 /nfs/dbraw/zinc/57/39/07/414573907.db2.gz MGFNAUHOMGQCRT-CABCVRRESA-N 2 2 286.416 0.426 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCO[C@](C)(C2CC2)C1 ZINC000661171302 414573910 /nfs/dbraw/zinc/57/39/10/414573910.db2.gz MGFNAUHOMGQCRT-CABCVRRESA-N 2 2 286.416 0.426 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661171302 414573914 /nfs/dbraw/zinc/57/39/14/414573914.db2.gz MGFNAUHOMGQCRT-CABCVRRESA-N 2 2 286.416 0.426 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661171302 414573918 /nfs/dbraw/zinc/57/39/18/414573918.db2.gz MGFNAUHOMGQCRT-CABCVRRESA-N 2 2 286.416 0.426 20 0 CCADLP C[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@H]1CCO ZINC000661489434 414633280 /nfs/dbraw/zinc/63/32/80/414633280.db2.gz PIYMHRNZPHZSOL-KBPBESRZSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@H]1CCO ZINC000661489434 414633284 /nfs/dbraw/zinc/63/32/84/414633284.db2.gz PIYMHRNZPHZSOL-KBPBESRZSA-N 2 2 283.416 0.243 20 0 CCADLP CC(C)N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662260954 414701963 /nfs/dbraw/zinc/70/19/63/414701963.db2.gz RYCQIFUPXRLTFQ-CYBMUJFWSA-N 2 2 253.390 0.533 20 0 CCADLP CN1CC[N@H+](C[C@@H]2C[NH2+]CCO2)Cc2ccccc21 ZINC000662262950 414702696 /nfs/dbraw/zinc/70/26/96/414702696.db2.gz YNTSLBBSCRQXDM-AWEZNQCLSA-N 2 2 261.369 0.927 20 0 CCADLP CN1CC[N@@H+](C[C@@H]2C[NH2+]CCO2)Cc2ccccc21 ZINC000662262950 414702697 /nfs/dbraw/zinc/70/26/97/414702697.db2.gz YNTSLBBSCRQXDM-AWEZNQCLSA-N 2 2 261.369 0.927 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000662276159 414704791 /nfs/dbraw/zinc/70/47/91/414704791.db2.gz KEBVZLZQCFYGOO-MELADBBJSA-N 3 2 253.390 0.439 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000662276159 414704792 /nfs/dbraw/zinc/70/47/92/414704792.db2.gz KEBVZLZQCFYGOO-MELADBBJSA-N 3 2 253.390 0.439 20 0 CCADLP C([NH2+][C@@H]1CCCC12CCOCC2)[C@H]1C[NH2+]CCO1 ZINC000662281728 414705504 /nfs/dbraw/zinc/70/55/04/414705504.db2.gz LLIOMDVQTPAUAB-CHWSQXEVSA-N 2 2 254.374 0.914 20 0 CCADLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2C[C@@H]2C[NH2+]CCO2)C1 ZINC000662282565 414705948 /nfs/dbraw/zinc/70/59/48/414705948.db2.gz CHJIHJFECQDLFH-QPSCCSFWSA-N 3 2 283.416 0.336 20 0 CCADLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2C[C@@H]2C[NH2+]CCO2)C1 ZINC000662282565 414705949 /nfs/dbraw/zinc/70/59/49/414705949.db2.gz CHJIHJFECQDLFH-QPSCCSFWSA-N 3 2 283.416 0.336 20 0 CCADLP Cc1cc(C[NH2+]C2(CO)CC[NH2+]CC2)nc(C)n1 ZINC000662284262 414706183 /nfs/dbraw/zinc/70/61/83/414706183.db2.gz MICGHQXZOFIAEJ-UHFFFAOYSA-N 2 2 250.346 0.298 20 0 CCADLP CC[C@H](CC(F)F)C[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000662286256 414706496 /nfs/dbraw/zinc/70/64/96/414706496.db2.gz PFNLJYVTWIGMPF-NXEZZACHSA-N 2 2 254.321 0.282 20 0 CCADLP CC[C@H](CC(F)F)C[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000662286256 414706497 /nfs/dbraw/zinc/70/64/97/414706497.db2.gz PFNLJYVTWIGMPF-NXEZZACHSA-N 2 2 254.321 0.282 20 0 CCADLP C[N@H+](CCn1nc2ccccn2c1=O)CC(C)(C)[NH3+] ZINC000662292134 414707706 /nfs/dbraw/zinc/70/77/06/414707706.db2.gz BBQVSIOHKXWNEH-UHFFFAOYSA-N 2 2 263.345 0.165 20 0 CCADLP C[N@@H+](CCn1nc2ccccn2c1=O)CC(C)(C)[NH3+] ZINC000662292134 414707707 /nfs/dbraw/zinc/70/77/07/414707707.db2.gz BBQVSIOHKXWNEH-UHFFFAOYSA-N 2 2 263.345 0.165 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662316598 414708763 /nfs/dbraw/zinc/70/87/63/414708763.db2.gz JTLDESRRISFYET-OLZOCXBDSA-N 2 2 271.405 0.506 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662316598 414708764 /nfs/dbraw/zinc/70/87/64/414708764.db2.gz JTLDESRRISFYET-OLZOCXBDSA-N 2 2 271.405 0.506 20 0 CCADLP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@H]2C[NH2+]CCO2)cn1 ZINC000662310659 414708805 /nfs/dbraw/zinc/70/88/05/414708805.db2.gz MAAGVPMKEQYSOS-RRFJBIMHSA-N 2 2 278.400 0.709 20 0 CCADLP C[NH+](C)CCC[C@@H]1C[N@H+](CC(=O)N2CCCC2)CCO1 ZINC000662320290 414709276 /nfs/dbraw/zinc/70/92/76/414709276.db2.gz SQYUGKHELDTSQZ-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP C[NH+](C)CCC[C@@H]1C[N@@H+](CC(=O)N2CCCC2)CCO1 ZINC000662320290 414709277 /nfs/dbraw/zinc/70/92/77/414709277.db2.gz SQYUGKHELDTSQZ-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP CC[C@H](C(N)=O)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321794 414709797 /nfs/dbraw/zinc/70/97/97/414709797.db2.gz JHCOEWMWFWIBHZ-VXGBXAGGSA-N 2 2 257.378 0.293 20 0 CCADLP CC[C@H](C(N)=O)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321794 414709798 /nfs/dbraw/zinc/70/97/98/414709798.db2.gz JHCOEWMWFWIBHZ-VXGBXAGGSA-N 2 2 257.378 0.293 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662325988 414710115 /nfs/dbraw/zinc/71/01/15/414710115.db2.gz SAILUZQCWPNUEK-JKSUJKDBSA-N 2 2 299.459 0.750 20 0 CCADLP C[NH+](C)CCC[C@H]1C[N@@H+]([C@@H]2CCCNC2=O)CCO1 ZINC000662326219 414710293 /nfs/dbraw/zinc/71/02/93/414710293.db2.gz WTSONFNVHRDEEL-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP C[NH+](C)CCC[C@H]1C[N@H+]([C@@H]2CCCNC2=O)CCO1 ZINC000662326219 414710294 /nfs/dbraw/zinc/71/02/94/414710294.db2.gz WTSONFNVHRDEEL-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP C[NH+](C)CCC[C@H]1C[N@H+](C[C@H]2CC[NH2+]C2)CCO1 ZINC000662327300 414710459 /nfs/dbraw/zinc/71/04/59/414710459.db2.gz MOAVDBVTTYVZGF-KBPBESRZSA-N 3 2 255.406 0.639 20 0 CCADLP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)CCO1 ZINC000662327300 414710460 /nfs/dbraw/zinc/71/04/60/414710460.db2.gz MOAVDBVTTYVZGF-KBPBESRZSA-N 3 2 255.406 0.639 20 0 CCADLP Cn1cc(CC[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cn1 ZINC000662152678 414693897 /nfs/dbraw/zinc/69/38/97/414693897.db2.gz XEZPNRLPIHMLAV-OAHLLOKOSA-N 2 2 278.400 0.494 20 0 CCADLP Cn1cc(CC[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cn1 ZINC000662152678 414693898 /nfs/dbraw/zinc/69/38/98/414693898.db2.gz XEZPNRLPIHMLAV-OAHLLOKOSA-N 2 2 278.400 0.494 20 0 CCADLP C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662160185 414694958 /nfs/dbraw/zinc/69/49/58/414694958.db2.gz MWOMXJMXKPKXPL-JSGCOSHPSA-N 2 2 297.443 0.821 20 0 CCADLP C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662160185 414694959 /nfs/dbraw/zinc/69/49/59/414694959.db2.gz MWOMXJMXKPKXPL-JSGCOSHPSA-N 2 2 297.443 0.821 20 0 CCADLP C[C@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1C[NH2+]CCO1 ZINC000662251603 414699840 /nfs/dbraw/zinc/69/98/40/414699840.db2.gz GFKGFPZEHYORKF-ZFWWWQNUSA-N 2 2 264.369 0.858 20 0 CCADLP C[C@H](O)C[N@H+](Cc1ccccc1)C[C@@H]1C[NH2+]CCO1 ZINC000662251603 414699841 /nfs/dbraw/zinc/69/98/41/414699841.db2.gz GFKGFPZEHYORKF-ZFWWWQNUSA-N 2 2 264.369 0.858 20 0 CCADLP CCN(CC)C(=O)C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662253767 414700254 /nfs/dbraw/zinc/70/02/54/414700254.db2.gz KPHNIZNXOQNMLR-CQSZACIVSA-N 2 2 283.416 0.555 20 0 CCADLP OCC[N@H+](CCc1ccccc1)C[C@@H]1C[NH2+]CCO1 ZINC000662255911 414700337 /nfs/dbraw/zinc/70/03/37/414700337.db2.gz SJYLOYWCGRDOAU-HNNXBMFYSA-N 2 2 264.369 0.512 20 0 CCADLP OCC[N@@H+](CCc1ccccc1)C[C@@H]1C[NH2+]CCO1 ZINC000662255911 414700338 /nfs/dbraw/zinc/70/03/38/414700338.db2.gz SJYLOYWCGRDOAU-HNNXBMFYSA-N 2 2 264.369 0.512 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCOc2ccc(O)cc2C1 ZINC000662736411 414749980 /nfs/dbraw/zinc/74/99/80/414749980.db2.gz SSSURLJVAKGYJS-ZDUSSCGKSA-N 2 2 293.367 0.392 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000662740696 414751976 /nfs/dbraw/zinc/75/19/76/414751976.db2.gz VPFFVVWHKYOOOJ-BYNSBNAKSA-N 2 2 291.370 0.859 20 0 CCADLP Cn1cc[nH+]c1[C@H]1N(C(=O)[C@@H]2C[NH2+]CCO2)CC1(C)C ZINC000662757384 414766557 /nfs/dbraw/zinc/76/65/57/414766557.db2.gz LPRWARBTAAAOKE-WDEREUQCSA-N 2 2 278.356 0.318 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)C[C@@H]2COCC[NH2+]2)CC1(C)C ZINC000662755315 414767131 /nfs/dbraw/zinc/76/71/31/414767131.db2.gz DUHUFNIBHITQSW-YPMHNXCESA-N 2 2 292.383 0.708 20 0 CCADLP C[C@@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccccn1 ZINC000662604081 414731821 /nfs/dbraw/zinc/73/18/21/414731821.db2.gz CEQIDUXQQGIZKZ-NWDGAFQWSA-N 2 2 264.373 0.580 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H](C)CO1 ZINC000662629031 414734513 /nfs/dbraw/zinc/73/45/13/414734513.db2.gz AFKQKLLPMUIBGN-REWJHTLYSA-N 2 2 283.416 0.729 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H](C)CO1 ZINC000662629031 414734514 /nfs/dbraw/zinc/73/45/14/414734514.db2.gz AFKQKLLPMUIBGN-REWJHTLYSA-N 2 2 283.416 0.729 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[NH2+]C2)[C@@H](C)CO1 ZINC000662631784 414734871 /nfs/dbraw/zinc/73/48/71/414734871.db2.gz VLTDGIZSDPVBGW-RWMBFGLXSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[NH2+]C2)[C@@H](C)CO1 ZINC000662631784 414734872 /nfs/dbraw/zinc/73/48/72/414734872.db2.gz VLTDGIZSDPVBGW-RWMBFGLXSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CC23CC[NH2+]CC3)[C@H](C)CO1 ZINC000662633479 414735209 /nfs/dbraw/zinc/73/52/09/414735209.db2.gz LELWVFBMXUWSEH-MGPQQGTHSA-N 2 2 295.427 0.602 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CC23CC[NH2+]CC3)[C@H](C)CO1 ZINC000662633479 414735210 /nfs/dbraw/zinc/73/52/10/414735210.db2.gz LELWVFBMXUWSEH-MGPQQGTHSA-N 2 2 295.427 0.602 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000662634024 414735729 /nfs/dbraw/zinc/73/57/29/414735729.db2.gz PUPWFSJSNMQBRE-ZDUSSCGKSA-N 3 2 270.421 0.128 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000662634024 414735730 /nfs/dbraw/zinc/73/57/30/414735730.db2.gz PUPWFSJSNMQBRE-ZDUSSCGKSA-N 3 2 270.421 0.128 20 0 CCADLP [NH3+][C@H]1C[C@H](C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000662694934 414742521 /nfs/dbraw/zinc/74/25/21/414742521.db2.gz DYGMTWPCYSTZAE-OBJOEFQTSA-N 2 2 299.440 0.048 20 0 CCADLP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C[C@H](C)O1 ZINC000662696937 414742691 /nfs/dbraw/zinc/74/26/91/414742691.db2.gz ZGUPINFYIKVHIE-WOPDTQHZSA-N 2 2 257.378 0.291 20 0 CCADLP C[C@@H]([NH3+])CCC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662704049 414743700 /nfs/dbraw/zinc/74/37/00/414743700.db2.gz STMUPCXBHYHZBN-CYBMUJFWSA-N 2 2 283.416 0.685 20 0 CCADLP Cc1cccn2cc(CNC(=O)[C@H]3C[C@H]([NH3+])C3)[nH+]c12 ZINC000662727216 414746827 /nfs/dbraw/zinc/74/68/27/414746827.db2.gz MCQQVBNRDKPBPC-XYPYZODXSA-N 2 2 258.325 0.996 20 0 CCADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662799381 414802168 /nfs/dbraw/zinc/80/21/68/414802168.db2.gz LIUKMOWIIFYGSK-NSHDSACASA-N 2 2 295.408 0.288 20 0 CCADLP COc1cccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1C ZINC000662946318 414910206 /nfs/dbraw/zinc/91/02/06/414910206.db2.gz CGXWXKJIDPXQQT-ZDUSSCGKSA-N 2 2 279.384 0.899 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662952670 414913540 /nfs/dbraw/zinc/91/35/40/414913540.db2.gz WYUJMNFZLHFQLV-ZYHUDNBSSA-N 2 2 293.371 0.096 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000662952670 414913544 /nfs/dbraw/zinc/91/35/44/414913544.db2.gz WYUJMNFZLHFQLV-ZYHUDNBSSA-N 2 2 293.371 0.096 20 0 CCADLP CC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899501 414881390 /nfs/dbraw/zinc/88/13/90/414881390.db2.gz DQIAHSNLAQGKNR-KGLIPLIRSA-N 3 2 282.432 0.351 20 0 CCADLP CC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899501 414881392 /nfs/dbraw/zinc/88/13/92/414881392.db2.gz DQIAHSNLAQGKNR-KGLIPLIRSA-N 3 2 282.432 0.351 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC(C)(C1CC1)C1CC1 ZINC000662916078 414891204 /nfs/dbraw/zinc/89/12/04/414891204.db2.gz UBNBSZUVJKIWEA-GFCCVEGCSA-N 2 2 253.390 0.960 20 0 CCADLP COCC[NH+]1CCN(c2cc(CO)cc(C)[nH+]2)CC1 ZINC000663362190 415049379 /nfs/dbraw/zinc/04/93/79/415049379.db2.gz CWWAMLILAJUBLA-UHFFFAOYSA-N 2 2 265.357 0.651 20 0 CCADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC000663364763 415051005 /nfs/dbraw/zinc/05/10/05/415051005.db2.gz LNLTYPCXXMJCLU-ZIAGYGMSSA-N 2 2 286.416 0.617 20 0 CCADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC000663364763 415051008 /nfs/dbraw/zinc/05/10/08/415051008.db2.gz LNLTYPCXXMJCLU-ZIAGYGMSSA-N 2 2 286.416 0.617 20 0 CCADLP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]CCC(N)=O)C1 ZINC000663373025 415053614 /nfs/dbraw/zinc/05/36/14/415053614.db2.gz WBFPEGPYHIIMNU-OAHLLOKOSA-N 2 2 290.411 0.268 20 0 CCADLP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]CCC(N)=O)C1 ZINC000663373025 415053616 /nfs/dbraw/zinc/05/36/16/415053616.db2.gz WBFPEGPYHIIMNU-OAHLLOKOSA-N 2 2 290.411 0.268 20 0 CCADLP CNC(=O)C[NH+]1CCC(Nc2cc(CO)cc(C)[nH+]2)CC1 ZINC000663385040 415055797 /nfs/dbraw/zinc/05/57/97/415055797.db2.gz QIMPWTPCSLQGLI-UHFFFAOYSA-N 2 2 292.383 0.505 20 0 CCADLP C[C@H](O)CNc1cc(N[C@H]2CC[N@@H+](C3CC3)C2)nc[nH+]1 ZINC000663428947 415063472 /nfs/dbraw/zinc/06/34/72/415063472.db2.gz WSXCSLOHEXZYMO-QWRGUYRKSA-N 2 2 277.372 0.918 20 0 CCADLP C[C@H](O)CNc1cc(N[C@H]2CC[N@H+](C3CC3)C2)nc[nH+]1 ZINC000663428947 415063477 /nfs/dbraw/zinc/06/34/77/415063477.db2.gz WSXCSLOHEXZYMO-QWRGUYRKSA-N 2 2 277.372 0.918 20 0 CCADLP C[C@]1(C[NH3+])CC[N@H+](Cc2nc3c(s2)C[NH2+]CC3)C1 ZINC000663495212 415078563 /nfs/dbraw/zinc/07/85/63/415078563.db2.gz VPYNYPVJVOJANV-CYBMUJFWSA-N 3 2 266.414 0.960 20 0 CCADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2nc3c(s2)C[NH2+]CC3)C1 ZINC000663495212 415078568 /nfs/dbraw/zinc/07/85/68/415078568.db2.gz VPYNYPVJVOJANV-CYBMUJFWSA-N 3 2 266.414 0.960 20 0 CCADLP Cc1nc(N[C@H](CO)C[NH+](C)C)c2c([nH+]1)CCCC2 ZINC000663910105 415169426 /nfs/dbraw/zinc/16/94/26/415169426.db2.gz FODZVPRUNFILAI-NSHDSACASA-N 2 2 264.373 0.998 20 0 CCADLP Cc1ocnc1CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664583958 415425111 /nfs/dbraw/zinc/42/51/11/415425111.db2.gz YXWDVONYEUNHFV-UHFFFAOYSA-N 2 2 297.403 0.666 20 0 CCADLP Cc1ocnc1CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664583958 415425116 /nfs/dbraw/zinc/42/51/16/415425116.db2.gz YXWDVONYEUNHFV-UHFFFAOYSA-N 2 2 297.403 0.666 20 0 CCADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)Cc1c[nH+]cn1C ZINC000575143048 335072183 /nfs/dbraw/zinc/07/21/83/335072183.db2.gz PGDJSBXFNODLMI-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)Cc1c[nH+]cn1C ZINC000575143048 335072184 /nfs/dbraw/zinc/07/21/84/335072184.db2.gz PGDJSBXFNODLMI-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP Cc1nc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc[nH+]1 ZINC000664600841 415430842 /nfs/dbraw/zinc/43/08/42/415430842.db2.gz YCFHFXDKEGWPHK-ZDUSSCGKSA-N 2 2 262.357 0.820 20 0 CCADLP Cc1nc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)cc[nH+]1 ZINC000664600841 415430850 /nfs/dbraw/zinc/43/08/50/415430850.db2.gz YCFHFXDKEGWPHK-ZDUSSCGKSA-N 2 2 262.357 0.820 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000665048851 415518400 /nfs/dbraw/zinc/51/84/00/415518400.db2.gz XYTOBEDWFBZGHW-WOPDTQHZSA-N 2 2 295.387 0.280 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c2[nH+]ccn21 ZINC000665049006 415518894 /nfs/dbraw/zinc/51/88/94/415518894.db2.gz ZLVJDFPNUHAPMJ-RHYQMDGZSA-N 2 2 293.371 0.205 20 0 CCADLP C[N@@H+]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000665160563 415554959 /nfs/dbraw/zinc/55/49/59/415554959.db2.gz JFFSFOCRAQAVGJ-LBPRGKRZSA-N 2 2 262.357 0.610 20 0 CCADLP C[N@H+]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000665160563 415554965 /nfs/dbraw/zinc/55/49/65/415554965.db2.gz JFFSFOCRAQAVGJ-LBPRGKRZSA-N 2 2 262.357 0.610 20 0 CCADLP CO[C@H](C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)[C@H]1CCOC1 ZINC000665234731 415574162 /nfs/dbraw/zinc/57/41/62/415574162.db2.gz JLWAEVWZLVVEBX-XJFOESAGSA-N 2 2 272.389 0.395 20 0 CCADLP FC1(F)C[C@@H]1OCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000665244325 415577232 /nfs/dbraw/zinc/57/72/32/415577232.db2.gz KWJMXOXOPHMJEF-WOPDTQHZSA-N 2 2 276.327 0.767 20 0 CCADLP CCn1nccc1C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000665299753 415590354 /nfs/dbraw/zinc/59/03/54/415590354.db2.gz RZIIPZWCEQJONG-NWDGAFQWSA-N 2 2 252.362 0.760 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000071147522 176043089 /nfs/dbraw/zinc/04/30/89/176043089.db2.gz NJADPVUJOWYCPZ-JTQLQIEISA-N 2 2 270.377 0.152 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000071147522 176043090 /nfs/dbraw/zinc/04/30/90/176043090.db2.gz NJADPVUJOWYCPZ-JTQLQIEISA-N 2 2 270.377 0.152 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)C(=O)NC2CCCC2)C1 ZINC000071147625 176043338 /nfs/dbraw/zinc/04/33/38/176043338.db2.gz RRSFKNMPQSTJJI-VXGBXAGGSA-N 2 2 253.390 0.975 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)C(=O)NC2CCCC2)C1 ZINC000071147625 176043339 /nfs/dbraw/zinc/04/33/39/176043339.db2.gz RRSFKNMPQSTJJI-VXGBXAGGSA-N 2 2 253.390 0.975 20 0 CCADLP Cc1ccc(NC(=O)C[N@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000071150240 176045350 /nfs/dbraw/zinc/04/53/50/176045350.db2.gz RTMCWVOPKHXWSP-UHFFFAOYSA-N 2 2 290.411 0.771 20 0 CCADLP Cc1ccc(NC(=O)C[N@@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000071150240 176045351 /nfs/dbraw/zinc/04/53/51/176045351.db2.gz RTMCWVOPKHXWSP-UHFFFAOYSA-N 2 2 290.411 0.771 20 0 CCADLP CCNC(=O)N1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000077121867 177226263 /nfs/dbraw/zinc/22/62/63/177226263.db2.gz KDUVLRLDDDNJCX-UHFFFAOYSA-N 2 2 265.361 0.539 20 0 CCADLP COc1cccc(N2CC[NH+](C[C@H]3C[NH2+]CCO3)CC2)c1 ZINC000034666998 544420019 /nfs/dbraw/zinc/42/00/19/544420019.db2.gz ZGWNLLUCRRHXSM-MRXNPFEDSA-N 2 2 291.395 0.806 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH2+]1 ZINC000333845194 228216514 /nfs/dbraw/zinc/21/65/14/228216514.db2.gz PAXYSODCXZAHSX-SYQHCUMBSA-N 2 2 296.415 0.289 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH2+]1 ZINC000333845194 228216515 /nfs/dbraw/zinc/21/65/15/228216515.db2.gz PAXYSODCXZAHSX-SYQHCUMBSA-N 2 2 296.415 0.289 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2cn[nH]c2)CC1 ZINC000085825576 544496508 /nfs/dbraw/zinc/49/65/08/544496508.db2.gz YWNWGTRXBHJMJX-GFCCVEGCSA-N 2 2 279.388 0.394 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)Cc2cn[nH]c2)CC1 ZINC000085825576 544496510 /nfs/dbraw/zinc/49/65/10/544496510.db2.gz YWNWGTRXBHJMJX-GFCCVEGCSA-N 2 2 279.388 0.394 20 0 CCADLP CCc1nc(N[C@@H](CO)C[NH+]2CCOCC2)cc(C)[nH+]1 ZINC000631307271 419480597 /nfs/dbraw/zinc/48/05/97/419480597.db2.gz OGWCKXLRXAAQBK-GFCCVEGCSA-N 2 2 280.372 0.452 20 0 CCADLP C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H]1C[NH2+]CCO1 ZINC000125432895 544591449 /nfs/dbraw/zinc/59/14/49/544591449.db2.gz LFXINUHEJXFFKO-LBPRGKRZSA-N 2 2 264.325 0.836 20 0 CCADLP C[N@H+](Cc1ccc2c(c1)OCO2)C[C@@H]1C[NH2+]CCO1 ZINC000125432895 544591453 /nfs/dbraw/zinc/59/14/53/544591453.db2.gz LFXINUHEJXFFKO-LBPRGKRZSA-N 2 2 264.325 0.836 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC[N@@H+]1C ZINC000222640525 544823033 /nfs/dbraw/zinc/82/30/33/544823033.db2.gz PWACJSPUVIKVPI-HZSPNIEDSA-N 3 2 255.406 0.515 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC[N@H+]1C ZINC000222640525 544823039 /nfs/dbraw/zinc/82/30/39/544823039.db2.gz PWACJSPUVIKVPI-HZSPNIEDSA-N 3 2 255.406 0.515 20 0 CCADLP COc1cc[nH+]c(Cn2cc(C[NH2+]C3CC3)nn2)c1OC ZINC000232201343 544862610 /nfs/dbraw/zinc/86/26/10/544862610.db2.gz VCBCXOKUFWOEQR-UHFFFAOYSA-N 2 2 289.339 0.991 20 0 CCADLP Nc1nc(NC[C@@H]2C[NH2+]CCO2)[nH+]c2ccccc12 ZINC000519755195 420389080 /nfs/dbraw/zinc/38/90/80/420389080.db2.gz ZVGCLOJFHXYINH-VIFPVBQESA-N 2 2 259.313 0.034 20 0 CCADLP C[NH+](C)CCNc1nc(N2CCOCC2)cc[nH+]1 ZINC000244291662 544904430 /nfs/dbraw/zinc/90/44/30/544904430.db2.gz WWANGLBJNAOYDI-UHFFFAOYSA-N 2 2 251.334 0.287 20 0 CCADLP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NC[C@H]1CCCO1 ZINC000252417377 544929654 /nfs/dbraw/zinc/92/96/54/544929654.db2.gz RJLUPNYGZHMXNS-ZNMIVQPWSA-N 2 2 295.427 0.746 20 0 CCADLP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NC[C@H]1CCCO1 ZINC000252417377 544929657 /nfs/dbraw/zinc/92/96/57/544929657.db2.gz RJLUPNYGZHMXNS-ZNMIVQPWSA-N 2 2 295.427 0.746 20 0 CCADLP C[C@@H]1CN(C(=O)NCc2c[nH+]cn2C)C[C@H](C)[N@H+]1C ZINC000297241881 544977542 /nfs/dbraw/zinc/97/75/42/544977542.db2.gz XRSIKCVWPFTCTE-PHIMTYICSA-N 2 2 265.361 0.654 20 0 CCADLP C[C@@H]1CN(C(=O)NCc2c[nH+]cn2C)C[C@H](C)[N@@H+]1C ZINC000297241881 544977544 /nfs/dbraw/zinc/97/75/44/544977544.db2.gz XRSIKCVWPFTCTE-PHIMTYICSA-N 2 2 265.361 0.654 20 0 CCADLP Cc1cc(N2CCC[C@H](N3CC[NH2+]CC3=O)C2)nc(C)[nH+]1 ZINC000333866752 545044030 /nfs/dbraw/zinc/04/40/30/545044030.db2.gz AXYSMYGMKJFEPG-ZDUSSCGKSA-N 2 2 289.383 0.494 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)CN(C)Cc1[nH+]ccn1C ZINC000311023643 545012459 /nfs/dbraw/zinc/01/24/59/545012459.db2.gz MBOCKGSJVPWSFI-GFCCVEGCSA-N 2 2 254.378 0.553 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)CN(C)Cc1[nH+]ccn1C ZINC000311023643 545012460 /nfs/dbraw/zinc/01/24/60/545012460.db2.gz MBOCKGSJVPWSFI-GFCCVEGCSA-N 2 2 254.378 0.553 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000314971128 545015190 /nfs/dbraw/zinc/01/51/90/545015190.db2.gz WOVZFXUNYOGYQY-CYBMUJFWSA-N 3 2 252.362 0.402 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000314971128 545015191 /nfs/dbraw/zinc/01/51/91/545015191.db2.gz WOVZFXUNYOGYQY-CYBMUJFWSA-N 3 2 252.362 0.402 20 0 CCADLP CC(C)n1cc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)nn1 ZINC000314690200 545015337 /nfs/dbraw/zinc/01/53/37/545015337.db2.gz RUSDBLUMRXNOSV-UHFFFAOYSA-N 2 2 294.447 0.975 20 0 CCADLP CC[N@@H+]1CCCN(C[C@H](O)C[NH+]2CCOCC2)[C@@H](C)C1 ZINC000320351510 545016202 /nfs/dbraw/zinc/01/62/02/545016202.db2.gz PZCUWSFIFWLEDB-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP CC[N@H+]1CCCN(C[C@H](O)C[NH+]2CCOCC2)[C@@H](C)C1 ZINC000320351510 545016204 /nfs/dbraw/zinc/01/62/04/545016204.db2.gz PZCUWSFIFWLEDB-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](C2CC2)C2CCC2)CC1 ZINC000324651146 545016948 /nfs/dbraw/zinc/01/69/48/545016948.db2.gz CFUDJVNUTACFAN-OAHLLOKOSA-N 2 2 265.401 0.929 20 0 CCADLP [NH3+][C@@H]1CCC[C@H](NC(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000333709840 545042073 /nfs/dbraw/zinc/04/20/73/545042073.db2.gz FGZVPNZWXCQELF-OLZOCXBDSA-N 2 2 296.415 0.420 20 0 CCADLP COC[C@H]([NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)C1CC1 ZINC000347776644 545063094 /nfs/dbraw/zinc/06/30/94/545063094.db2.gz AKULIXLZMITHAB-UXOAXIEHSA-N 2 2 286.416 0.471 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN2CC[N@H+](C)CC2(C)C)C[C@@H](C)O1 ZINC000347603023 545063101 /nfs/dbraw/zinc/06/31/01/545063101.db2.gz XTTVUSPAUDJMCF-KFWWJZLASA-N 2 2 299.459 0.483 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN2CC[N@@H+](C)CC2(C)C)C[C@@H](C)O1 ZINC000347603023 545063102 /nfs/dbraw/zinc/06/31/02/545063102.db2.gz XTTVUSPAUDJMCF-KFWWJZLASA-N 2 2 299.459 0.483 20 0 CCADLP CC(C)[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH+]1CCOCC1 ZINC000352190428 545069538 /nfs/dbraw/zinc/06/95/38/545069538.db2.gz NNTVSCNIUODHDP-CQSZACIVSA-N 2 2 294.399 0.815 20 0 CCADLP CC(C)[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH+]1CCOCC1 ZINC000352190428 545069539 /nfs/dbraw/zinc/06/95/39/545069539.db2.gz NNTVSCNIUODHDP-CQSZACIVSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ncc[nH]1 ZINC000353504782 545071308 /nfs/dbraw/zinc/07/13/08/545071308.db2.gz SZRAHJUEOFIHKE-NEPJUHHUSA-N 2 2 251.378 0.696 20 0 CCADLP C[C@H]1CCCC[N@@H+]1CCC(=O)NCC[NH+]1CCOCC1 ZINC000339232990 545053301 /nfs/dbraw/zinc/05/33/01/545053301.db2.gz LIQBHIBMUSLZAJ-AWEZNQCLSA-N 2 2 283.416 0.699 20 0 CCADLP C[C@H]1CCCC[N@H+]1CCC(=O)NCC[NH+]1CCOCC1 ZINC000339232990 545053304 /nfs/dbraw/zinc/05/33/04/545053304.db2.gz LIQBHIBMUSLZAJ-AWEZNQCLSA-N 2 2 283.416 0.699 20 0 CCADLP CO[C@]1(C)C[C@@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1(C)C ZINC000519118984 265325267 /nfs/dbraw/zinc/32/52/67/265325267.db2.gz WUOOEFQDZRGFOD-YWPYICTPSA-N 2 2 298.431 0.474 20 0 CCADLP CO[C@]1(C)C[C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1(C)C ZINC000519118984 265325270 /nfs/dbraw/zinc/32/52/70/265325270.db2.gz WUOOEFQDZRGFOD-YWPYICTPSA-N 2 2 298.431 0.474 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2CCOC2)CC1 ZINC000179156032 265707880 /nfs/dbraw/zinc/70/78/80/265707880.db2.gz MZXOLFYHMPAMBQ-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP CSCC[C@@H](CO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425352169 274176172 /nfs/dbraw/zinc/17/61/72/274176172.db2.gz MLKBEUVSKPJPFD-JTQLQIEISA-N 2 2 272.418 0.690 20 0 CCADLP CCCC[C@H]([NH3+])C(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1 ZINC000423882338 275985415 /nfs/dbraw/zinc/98/54/15/275985415.db2.gz WZHDSTJXXDHLEL-QWHCGFSZSA-N 2 2 293.415 0.753 20 0 CCADLP CC(=O)NC1CCC([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000334392352 277025381 /nfs/dbraw/zinc/02/53/81/277025381.db2.gz XMETWTSCTYPKMT-OFVDZJKFSA-N 2 2 253.390 0.973 20 0 CCADLP CC(=O)NC1CCC([NH2+][C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000334392352 277025383 /nfs/dbraw/zinc/02/53/83/277025383.db2.gz XMETWTSCTYPKMT-OFVDZJKFSA-N 2 2 253.390 0.973 20 0 CCADLP CN1CCN(c2cc(NC3CC3)[nH+]cn2)[C@H](C[NH3+])C1 ZINC000514663779 277112756 /nfs/dbraw/zinc/11/27/56/277112756.db2.gz DPXQTHKRCZOZQU-LLVKDONJSA-N 2 2 262.361 0.130 20 0 CCADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@H]21 ZINC000355039255 277122664 /nfs/dbraw/zinc/12/26/64/277122664.db2.gz RWIOPXAIDMWZBJ-FRRDWIJNSA-N 2 2 290.367 0.302 20 0 CCADLP C[N@H+]1CCO[C@@H]2CN(C(=O)[C@H]3CCCc4[nH+]ccn43)C[C@@H]21 ZINC000355039255 277122665 /nfs/dbraw/zinc/12/26/65/277122665.db2.gz RWIOPXAIDMWZBJ-FRRDWIJNSA-N 2 2 290.367 0.302 20 0 CCADLP C[C@@H](O)CNc1cc(N2CC[C@H]([NH+](C)C)C2)nc[nH+]1 ZINC000298247286 277641236 /nfs/dbraw/zinc/64/12/36/277641236.db2.gz MOQGYFAYJVVLCC-MNOVXSKESA-N 2 2 265.361 0.410 20 0 CCADLP CC(C)[C@H](C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)[NH+](C)C ZINC000155576270 277872774 /nfs/dbraw/zinc/87/27/74/277872774.db2.gz OXVZJDYHYOPKIA-HZSPNIEDSA-N 2 2 285.432 0.798 20 0 CCADLP COc1ccc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)nn1 ZINC000518558254 277891217 /nfs/dbraw/zinc/89/12/17/277891217.db2.gz JRUDPZFWJXGGBE-UHFFFAOYSA-N 2 2 274.328 0.531 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CC[NH2+]CC2(F)F)[C@H](C)C[NH2+]1 ZINC000343429506 287999586 /nfs/dbraw/zinc/99/95/86/287999586.db2.gz CAFRMVXWXISKOU-OPRDCNLKSA-N 2 2 261.316 0.440 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000354744363 278177783 /nfs/dbraw/zinc/17/77/83/278177783.db2.gz XAAYTCZVFMUFAB-CHWSQXEVSA-N 2 2 291.399 0.910 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)Nc1nc(N(C)C)cc[nH+]1 ZINC000301729087 278191894 /nfs/dbraw/zinc/19/18/94/278191894.db2.gz NYWIENJQVXVDCT-GFCCVEGCSA-N 2 2 278.404 0.590 20 0 CCADLP C[C@H](CO)N(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376704581 278212164 /nfs/dbraw/zinc/21/21/64/278212164.db2.gz BFAIDSSGEWNXDB-CHWSQXEVSA-N 2 2 298.431 0.177 20 0 CCADLP C[C@H](CO)N(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376704581 278212166 /nfs/dbraw/zinc/21/21/66/278212166.db2.gz BFAIDSSGEWNXDB-CHWSQXEVSA-N 2 2 298.431 0.177 20 0 CCADLP C[C@@H](C(N)=O)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280232801 278218146 /nfs/dbraw/zinc/21/81/46/278218146.db2.gz BEJHOWXXDDBYPW-AEGPPILISA-N 2 2 273.380 0.924 20 0 CCADLP C[C@@H](C(N)=O)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280232801 278218147 /nfs/dbraw/zinc/21/81/47/278218147.db2.gz BEJHOWXXDDBYPW-AEGPPILISA-N 2 2 273.380 0.924 20 0 CCADLP C[C@@H](C(N)=O)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280232801 278218149 /nfs/dbraw/zinc/21/81/49/278218149.db2.gz BEJHOWXXDDBYPW-AEGPPILISA-N 2 2 273.380 0.924 20 0 CCADLP C[C@@H](C(N)=O)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280232801 278218151 /nfs/dbraw/zinc/21/81/51/278218151.db2.gz BEJHOWXXDDBYPW-AEGPPILISA-N 2 2 273.380 0.924 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417016708 278264813 /nfs/dbraw/zinc/26/48/13/278264813.db2.gz DBVZTGWRZCFPLR-JSGCOSHPSA-N 2 2 298.431 0.524 20 0 CCADLP C[C@@H](CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C)[NH+](C)C ZINC000455426130 278273803 /nfs/dbraw/zinc/27/38/03/278273803.db2.gz FMJVHKOHHQLIBR-RDBSUJKOSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(Cc2c[nH+]c(N(C)C)n2C)[C@@H](C)C1 ZINC000362279885 278295247 /nfs/dbraw/zinc/29/52/47/278295247.db2.gz SEKAETIPRRFOEX-STQMWFEESA-N 2 2 295.431 0.373 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(Cc2c[nH+]c(N(C)C)n2C)[C@@H](C)C1 ZINC000362279885 278295250 /nfs/dbraw/zinc/29/52/50/278295250.db2.gz SEKAETIPRRFOEX-STQMWFEESA-N 2 2 295.431 0.373 20 0 CCADLP C[C@H]1CC(C)(C)C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000335196835 278324133 /nfs/dbraw/zinc/32/41/33/278324133.db2.gz SSDLCDZDGYJLNG-LBPRGKRZSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@H]1CC(C)(C)C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000335196835 278324135 /nfs/dbraw/zinc/32/41/35/278324135.db2.gz SSDLCDZDGYJLNG-LBPRGKRZSA-N 2 2 253.390 0.881 20 0 CCADLP CC(C)(C)[NH2+]CC[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000415088541 278370234 /nfs/dbraw/zinc/37/02/34/278370234.db2.gz VGRAONWRIJEUFD-LLVKDONJSA-N 2 2 277.434 0.388 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000337800052 288091508 /nfs/dbraw/zinc/09/15/08/288091508.db2.gz GGVVCCONWROEIR-FVCCEPFGSA-N 2 2 251.374 0.680 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000337800052 288091510 /nfs/dbraw/zinc/09/15/10/288091510.db2.gz GGVVCCONWROEIR-FVCCEPFGSA-N 2 2 251.374 0.680 20 0 CCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2COCC[NH+]2CC)C1 ZINC000347681035 279039505 /nfs/dbraw/zinc/03/95/05/279039505.db2.gz IVYRNZDZXWDGIV-KGLIPLIRSA-N 2 2 283.416 0.507 20 0 CCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2COCC[NH+]2CC)C1 ZINC000347681035 279039506 /nfs/dbraw/zinc/03/95/06/279039506.db2.gz IVYRNZDZXWDGIV-KGLIPLIRSA-N 2 2 283.416 0.507 20 0 CCADLP CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC)C1 ZINC000347681035 279039508 /nfs/dbraw/zinc/03/95/08/279039508.db2.gz IVYRNZDZXWDGIV-KGLIPLIRSA-N 2 2 283.416 0.507 20 0 CCADLP CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CC)C1 ZINC000347681035 279039509 /nfs/dbraw/zinc/03/95/09/279039509.db2.gz IVYRNZDZXWDGIV-KGLIPLIRSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@H](CC(C)(C)O)[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423149687 279248781 /nfs/dbraw/zinc/24/87/81/279248781.db2.gz AWSHDJDDKAFIIM-RAIGVLPGSA-N 2 2 256.390 0.893 20 0 CCADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+]([C@H]2CCOC2=O)C1 ZINC000245827438 279375085 /nfs/dbraw/zinc/37/50/85/279375085.db2.gz FUSAZBGWXSBKAM-RYUDHWBXSA-N 2 2 263.341 0.990 20 0 CCADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+]([C@H]2CCOC2=O)C1 ZINC000245827438 279375086 /nfs/dbraw/zinc/37/50/86/279375086.db2.gz FUSAZBGWXSBKAM-RYUDHWBXSA-N 2 2 263.341 0.990 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423178925 288132053 /nfs/dbraw/zinc/13/20/53/288132053.db2.gz LHIBUYZWXMQFTA-UKRRQHHQSA-N 3 2 266.433 0.354 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423178925 288132054 /nfs/dbraw/zinc/13/20/54/288132054.db2.gz LHIBUYZWXMQFTA-UKRRQHHQSA-N 3 2 266.433 0.354 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)CC(C)(C)O1 ZINC000180448097 288138238 /nfs/dbraw/zinc/13/82/38/288138238.db2.gz UCONDBFQWWUMRT-GFCCVEGCSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CC(C)(C)O1 ZINC000180448097 288138241 /nfs/dbraw/zinc/13/82/41/288138241.db2.gz UCONDBFQWWUMRT-GFCCVEGCSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@H]1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)[C@@H](C[NH3+])C1 ZINC000420255012 279727539 /nfs/dbraw/zinc/72/75/39/279727539.db2.gz FKUOWXAHKUDXEH-WDEREUQCSA-N 2 2 287.371 0.638 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@]2(CCCOC2)O1 ZINC000352348483 288197013 /nfs/dbraw/zinc/19/70/13/288197013.db2.gz AIFBWUQYZCEXCR-BMFZPTHFSA-N 2 2 298.427 0.711 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@]2(CCCOC2)O1 ZINC000352348483 288197015 /nfs/dbraw/zinc/19/70/15/288197015.db2.gz AIFBWUQYZCEXCR-BMFZPTHFSA-N 2 2 298.427 0.711 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)C[C@]2(CCCOC2)O1 ZINC000352348483 288197019 /nfs/dbraw/zinc/19/70/19/288197019.db2.gz AIFBWUQYZCEXCR-BMFZPTHFSA-N 2 2 298.427 0.711 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C[C@]2(CCCOC2)O1 ZINC000352348483 288197021 /nfs/dbraw/zinc/19/70/21/288197021.db2.gz AIFBWUQYZCEXCR-BMFZPTHFSA-N 2 2 298.427 0.711 20 0 CCADLP C[C@@H]1C[N@@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)CC[C@H]1[NH3+] ZINC000430949648 288249487 /nfs/dbraw/zinc/24/94/87/288249487.db2.gz OHMMPHQADDXUTR-OPRDCNLKSA-N 2 2 279.306 0.819 20 0 CCADLP C[C@@H]1C[N@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)CC[C@H]1[NH3+] ZINC000430949648 288249488 /nfs/dbraw/zinc/24/94/88/288249488.db2.gz OHMMPHQADDXUTR-OPRDCNLKSA-N 2 2 279.306 0.819 20 0 CCADLP CC[C@H](C)[C@H](O)C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422712433 280797664 /nfs/dbraw/zinc/79/76/64/280797664.db2.gz OCRPYOUDPYMLNS-AHLTXXRQSA-N 2 2 256.390 0.750 20 0 CCADLP CC[C@H]1CN(C(=O)[C@H]2CCCC[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000423877332 288268767 /nfs/dbraw/zinc/26/87/67/288268767.db2.gz OWYXWGXRXJZZGQ-ZNMIVQPWSA-N 2 2 295.427 0.698 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)N[C@H](C)CC[NH3+])CCO1 ZINC000418567319 288288549 /nfs/dbraw/zinc/28/85/49/288288549.db2.gz WLKOEVGRIKTFPS-NEPJUHHUSA-N 2 2 272.393 0.134 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)N[C@H](C)CC[NH3+])CCO1 ZINC000418567319 288288550 /nfs/dbraw/zinc/28/85/50/288288550.db2.gz WLKOEVGRIKTFPS-NEPJUHHUSA-N 2 2 272.393 0.134 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN1CCO[C@H]2CC[N@H+](C)C[C@H]21 ZINC000345025376 288344834 /nfs/dbraw/zinc/34/48/34/288344834.db2.gz ZCWODYWENJAPGO-KFWWJZLASA-N 2 2 283.416 0.112 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN1CCO[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000345025376 288344836 /nfs/dbraw/zinc/34/48/36/288344836.db2.gz ZCWODYWENJAPGO-KFWWJZLASA-N 2 2 283.416 0.112 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCN1CCO[C@H]2CC[NH+](C)C[C@H]21 ZINC000345025376 288344829 /nfs/dbraw/zinc/34/48/29/288344829.db2.gz ZCWODYWENJAPGO-KFWWJZLASA-N 2 2 283.416 0.112 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCN1CCO[C@H]2CC[NH+](C)C[C@H]21 ZINC000345025376 288344831 /nfs/dbraw/zinc/34/48/31/288344831.db2.gz ZCWODYWENJAPGO-KFWWJZLASA-N 2 2 283.416 0.112 20 0 CCADLP CCn1nnc(C)c1C[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000449165101 281688669 /nfs/dbraw/zinc/68/86/69/281688669.db2.gz SZLQOMJLPNERSM-GFCCVEGCSA-N 2 2 281.404 0.664 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000178831007 282050823 /nfs/dbraw/zinc/05/08/23/282050823.db2.gz MTTVVQPAPWCVJN-CYBMUJFWSA-N 3 2 282.432 0.271 20 0 CCADLP C[C@@](C[NH3+])([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000430560758 289108314 /nfs/dbraw/zinc/10/83/14/289108314.db2.gz IDEAIWVGMXOWSD-INIZCTEOSA-N 3 2 294.443 0.446 20 0 CCADLP CN(C)S(=O)(=O)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000375577044 289243994 /nfs/dbraw/zinc/24/39/94/289243994.db2.gz IKXAGTZMLCZUMS-STQMWFEESA-N 2 2 289.445 0.294 20 0 CCADLP CN(C)S(=O)(=O)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000375577044 289243999 /nfs/dbraw/zinc/24/39/99/289243999.db2.gz IKXAGTZMLCZUMS-STQMWFEESA-N 2 2 289.445 0.294 20 0 CCADLP CN(C)S(=O)(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000375577044 289244003 /nfs/dbraw/zinc/24/40/03/289244003.db2.gz IKXAGTZMLCZUMS-STQMWFEESA-N 2 2 289.445 0.294 20 0 CCADLP CN(C)S(=O)(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000375577044 289244007 /nfs/dbraw/zinc/24/40/07/289244007.db2.gz IKXAGTZMLCZUMS-STQMWFEESA-N 2 2 289.445 0.294 20 0 CCADLP C[C@H](NC(=O)NC[C@H]1CCC[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000417519258 289872523 /nfs/dbraw/zinc/87/25/23/289872523.db2.gz MCXMZXAUBMZMMZ-RWMBFGLXSA-N 2 2 284.404 0.147 20 0 CCADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)C[C@H]21 ZINC000332656395 290081341 /nfs/dbraw/zinc/08/13/41/290081341.db2.gz ZMVMLSXOFZHLGB-REWJHTLYSA-N 2 2 296.415 0.371 20 0 CCADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)C[C@H]21 ZINC000332656395 290081344 /nfs/dbraw/zinc/08/13/44/290081344.db2.gz ZMVMLSXOFZHLGB-REWJHTLYSA-N 2 2 296.415 0.371 20 0 CCADLP C[N@@H+]1CC[C@H](NCC[NH+]2CCC(O)CC2)[C@H]2CCC[C@@H]21 ZINC000453347178 290218064 /nfs/dbraw/zinc/21/80/64/290218064.db2.gz FJKMGOUMTAODKS-PMPSAXMXSA-N 2 2 281.444 0.906 20 0 CCADLP C[N@H+]1CC[C@H](NCC[NH+]2CCC(O)CC2)[C@H]2CCC[C@@H]21 ZINC000453347178 290218066 /nfs/dbraw/zinc/21/80/66/290218066.db2.gz FJKMGOUMTAODKS-PMPSAXMXSA-N 2 2 281.444 0.906 20 0 CCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCCC[NH3+])CC1 ZINC000418316872 290270582 /nfs/dbraw/zinc/27/05/82/290270582.db2.gz XKIWWGGFZOHDCB-CYBMUJFWSA-N 2 2 291.399 0.819 20 0 CCADLP CNC(=[NH2+])NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000363261165 290331822 /nfs/dbraw/zinc/33/18/22/290331822.db2.gz FJGBZIYPUBWWIM-UHFFFAOYSA-N 3 2 267.421 0.680 20 0 CCADLP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000422872678 293098120 /nfs/dbraw/zinc/09/81/20/293098120.db2.gz IEYOXNLXXNBNHY-OBJOEFQTSA-N 3 2 255.406 0.813 20 0 CCADLP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000422872678 293098123 /nfs/dbraw/zinc/09/81/23/293098123.db2.gz IEYOXNLXXNBNHY-OBJOEFQTSA-N 3 2 255.406 0.813 20 0 CCADLP [NH3+]CC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000040858224 295217612 /nfs/dbraw/zinc/21/76/12/295217612.db2.gz GPDUCIUDHHOESR-SNVBAGLBSA-N 2 2 269.370 0.196 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360533671 298122478 /nfs/dbraw/zinc/12/24/78/298122478.db2.gz AZVLCSXKGRTRLG-YGRLFVJLSA-N 2 2 280.372 0.049 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360533671 298122480 /nfs/dbraw/zinc/12/24/80/298122480.db2.gz AZVLCSXKGRTRLG-YGRLFVJLSA-N 2 2 280.372 0.049 20 0 CCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccon1 ZINC000436061098 303372941 /nfs/dbraw/zinc/37/29/41/303372941.db2.gz SNYYZJMJBMQCTH-LBPRGKRZSA-N 2 2 266.345 0.494 20 0 CCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccon1 ZINC000436061098 303372942 /nfs/dbraw/zinc/37/29/42/303372942.db2.gz SNYYZJMJBMQCTH-LBPRGKRZSA-N 2 2 266.345 0.494 20 0 CCADLP [NH3+]CCC[N@H+](CC(=O)N1CCOCC1)Cc1ccccc1 ZINC000230021785 303376222 /nfs/dbraw/zinc/37/62/22/303376222.db2.gz HBVJDZLPOMLUCN-UHFFFAOYSA-N 2 2 291.395 0.696 20 0 CCADLP [NH3+]CCC[N@@H+](CC(=O)N1CCOCC1)Cc1ccccc1 ZINC000230021785 303376223 /nfs/dbraw/zinc/37/62/23/303376223.db2.gz HBVJDZLPOMLUCN-UHFFFAOYSA-N 2 2 291.395 0.696 20 0 CCADLP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000416838626 303398876 /nfs/dbraw/zinc/39/88/76/303398876.db2.gz CGJIVMCKFOHNTQ-RYUDHWBXSA-N 2 2 265.361 0.700 20 0 CCADLP CC[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C[C@H](C)O1 ZINC000583092330 329314536 /nfs/dbraw/zinc/31/45/36/329314536.db2.gz LSFVVJIPMAVQGX-MELADBBJSA-N 2 2 274.405 0.425 20 0 CCADLP CC[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)CCOC)C[C@H](C)O1 ZINC000583092330 329314537 /nfs/dbraw/zinc/31/45/37/329314537.db2.gz LSFVVJIPMAVQGX-MELADBBJSA-N 2 2 274.405 0.425 20 0 CCADLP CC[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C[C@H](C)O1 ZINC000583092330 329314539 /nfs/dbraw/zinc/31/45/39/329314539.db2.gz LSFVVJIPMAVQGX-MELADBBJSA-N 2 2 274.405 0.425 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2nnnn2C2CC2)C1 ZINC000573343023 327137553 /nfs/dbraw/zinc/13/75/53/327137553.db2.gz AIZNGKOJBVIMCO-SNVBAGLBSA-N 2 2 273.344 0.731 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000573343023 327137555 /nfs/dbraw/zinc/13/75/55/327137555.db2.gz AIZNGKOJBVIMCO-SNVBAGLBSA-N 2 2 273.344 0.731 20 0 CCADLP CC(C)[C@@H](O)C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000578237181 327312267 /nfs/dbraw/zinc/31/22/67/327312267.db2.gz CGLIWNRAUKMJNK-RQJABVFESA-N 2 2 274.405 0.063 20 0 CCADLP CC(C)[C@@H](O)C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000578237181 327312268 /nfs/dbraw/zinc/31/22/68/327312268.db2.gz CGLIWNRAUKMJNK-RQJABVFESA-N 2 2 274.405 0.063 20 0 CCADLP Cc1cc(C[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)ccn1 ZINC000583376804 327333368 /nfs/dbraw/zinc/33/33/68/327333368.db2.gz GXOKDEXNOTUVPS-FMKPAKJESA-N 2 2 293.411 0.950 20 0 CCADLP COCCOC[C@@H](O)C[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000583435733 327362279 /nfs/dbraw/zinc/36/22/79/327362279.db2.gz BFWLZYOZOMEPPZ-KBPBESRZSA-N 2 2 297.399 0.682 20 0 CCADLP CC[N@H+](CCO)CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000583450715 327373902 /nfs/dbraw/zinc/37/39/02/327373902.db2.gz YIWLZHMQSZYPLZ-UHFFFAOYSA-N 2 2 290.367 0.687 20 0 CCADLP CC[N@@H+](CCO)CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000583450715 327373903 /nfs/dbraw/zinc/37/39/03/327373903.db2.gz YIWLZHMQSZYPLZ-UHFFFAOYSA-N 2 2 290.367 0.687 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC000575873111 335126875 /nfs/dbraw/zinc/12/68/75/335126875.db2.gz HIOBSZZTEIQGMK-CHWSQXEVSA-N 2 2 280.372 0.671 20 0 CCADLP O=C1NC(=O)C2(CCC([NH2+]CC[NH+]3CCCCC3)CC2)N1 ZINC000553964638 334404114 /nfs/dbraw/zinc/40/41/14/334404114.db2.gz MAKRFSOBYAGQIU-UHFFFAOYSA-N 2 2 294.399 0.583 20 0 CCADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C[NH+]1CC(C)(C)C1 ZINC000576476348 335209542 /nfs/dbraw/zinc/20/95/42/335209542.db2.gz HVZYWPWXIJEGFM-CQSZACIVSA-N 2 2 297.443 0.897 20 0 CCADLP CC(C)(CNC(=O)C[NH2+][C@H]1CCC1(C)C)[NH+]1CCOCC1 ZINC000576526536 335215168 /nfs/dbraw/zinc/21/51/68/335215168.db2.gz FGWLISDAWWJUOC-ZDUSSCGKSA-N 2 2 297.443 0.992 20 0 CCADLP CC[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccncc1 ZINC000576568755 335219705 /nfs/dbraw/zinc/21/97/05/335219705.db2.gz LWSWYYAQBPPSEZ-KGLIPLIRSA-N 2 2 291.399 0.817 20 0 CCADLP CC[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccncc1 ZINC000576568755 335219707 /nfs/dbraw/zinc/21/97/07/335219707.db2.gz LWSWYYAQBPPSEZ-KGLIPLIRSA-N 2 2 291.399 0.817 20 0 CCADLP CCCCNC(=O)[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000576834640 335253572 /nfs/dbraw/zinc/25/35/72/335253572.db2.gz NDGBBLJLVZRTEI-GJZGRUSLSA-N 2 2 299.459 0.927 20 0 CCADLP CCCCNC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000576834640 335253574 /nfs/dbraw/zinc/25/35/74/335253574.db2.gz NDGBBLJLVZRTEI-GJZGRUSLSA-N 2 2 299.459 0.927 20 0 CCADLP CCCCNC(=O)[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)CC)C1 ZINC000576834640 335253575 /nfs/dbraw/zinc/25/35/75/335253575.db2.gz NDGBBLJLVZRTEI-GJZGRUSLSA-N 2 2 299.459 0.927 20 0 CCADLP CCCCNC(=O)[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000576834640 335253577 /nfs/dbraw/zinc/25/35/77/335253577.db2.gz NDGBBLJLVZRTEI-GJZGRUSLSA-N 2 2 299.459 0.927 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](O)CC12CCC2 ZINC000576954905 335269433 /nfs/dbraw/zinc/26/94/33/335269433.db2.gz RQAZGURIXPVCFZ-ZIAGYGMSSA-N 2 2 286.416 0.305 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](O)CC12CCC2 ZINC000576954905 335269434 /nfs/dbraw/zinc/26/94/34/335269434.db2.gz RQAZGURIXPVCFZ-ZIAGYGMSSA-N 2 2 286.416 0.305 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000576954905 335269435 /nfs/dbraw/zinc/26/94/35/335269435.db2.gz RQAZGURIXPVCFZ-ZIAGYGMSSA-N 2 2 286.416 0.305 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000576954905 335269436 /nfs/dbraw/zinc/26/94/36/335269436.db2.gz RQAZGURIXPVCFZ-ZIAGYGMSSA-N 2 2 286.416 0.305 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000577490082 335358323 /nfs/dbraw/zinc/35/83/23/335358323.db2.gz JIQFDEKJUNZNGT-DGCLKSJQSA-N 2 2 262.357 0.515 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000577490082 335358324 /nfs/dbraw/zinc/35/83/24/335358324.db2.gz JIQFDEKJUNZNGT-DGCLKSJQSA-N 2 2 262.357 0.515 20 0 CCADLP CC(C)(C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2)c1c[nH]c[nH+]1 ZINC000577504806 335361288 /nfs/dbraw/zinc/36/12/88/335361288.db2.gz OWDDTAVPGNETKW-OAHLLOKOSA-N 2 2 292.383 0.260 20 0 CCADLP CC[C@]1(C)COCC[N@@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000577623093 335380364 /nfs/dbraw/zinc/38/03/64/335380364.db2.gz DOSAEEPGWXMOTJ-UONOGXRCSA-N 2 2 274.405 0.426 20 0 CCADLP CC[C@]1(C)COCC[N@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000577623093 335380365 /nfs/dbraw/zinc/38/03/65/335380365.db2.gz DOSAEEPGWXMOTJ-UONOGXRCSA-N 2 2 274.405 0.426 20 0 CCADLP CC[C@]1(C)COCC[NH+]1C[C@@H](O)C[N@H+](C)CCOC ZINC000577623093 335380367 /nfs/dbraw/zinc/38/03/67/335380367.db2.gz DOSAEEPGWXMOTJ-UONOGXRCSA-N 2 2 274.405 0.426 20 0 CCADLP CC[C@]1(C)COCC[NH+]1C[C@@H](O)C[N@@H+](C)CCOC ZINC000577623093 335380369 /nfs/dbraw/zinc/38/03/69/335380369.db2.gz DOSAEEPGWXMOTJ-UONOGXRCSA-N 2 2 274.405 0.426 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC000577645998 335385338 /nfs/dbraw/zinc/38/53/38/335385338.db2.gz BRLDJALUARUHCB-VXGBXAGGSA-N 2 2 262.357 0.830 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000577830989 335407989 /nfs/dbraw/zinc/40/79/89/335407989.db2.gz MHLQQNDKQFAQEU-LBPRGKRZSA-N 2 2 291.399 0.946 20 0 CCADLP C[C@@H](N1CC[NH+](CCN2CC[NH2+]CC2)CC1)C(F)(F)F ZINC000578872859 335683330 /nfs/dbraw/zinc/68/33/30/335683330.db2.gz COFWXQPYMURRCN-GFCCVEGCSA-N 2 2 294.365 0.460 20 0 CCADLP Cc1cc(N2CC[C@@H]([N@@H+]3CCC[C@H](C[NH3+])C3)C2=O)n(C)n1 ZINC000581133806 336013585 /nfs/dbraw/zinc/01/35/85/336013585.db2.gz FLBBRMNVESCBDR-CHWSQXEVSA-N 2 2 291.399 0.505 20 0 CCADLP Cc1cc(N2CC[C@@H]([N@H+]3CCC[C@H](C[NH3+])C3)C2=O)n(C)n1 ZINC000581133806 336013586 /nfs/dbraw/zinc/01/35/86/336013586.db2.gz FLBBRMNVESCBDR-CHWSQXEVSA-N 2 2 291.399 0.505 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCOCC2CCC2)[C@H](C[NH3+])C1 ZINC000581240488 336029592 /nfs/dbraw/zinc/02/95/92/336029592.db2.gz DVNJQCSCTKHQCK-CYBMUJFWSA-N 2 2 284.404 0.087 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCOCC2CCC2)[C@H](C[NH3+])C1 ZINC000581240488 336029593 /nfs/dbraw/zinc/02/95/93/336029593.db2.gz DVNJQCSCTKHQCK-CYBMUJFWSA-N 2 2 284.404 0.087 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)CCc1ccccn1 ZINC000383916552 336119136 /nfs/dbraw/zinc/11/91/36/336119136.db2.gz QWIIGLHLOOHUBH-OAHLLOKOSA-N 2 2 281.400 0.495 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)CCc1ccccn1 ZINC000383916552 336119138 /nfs/dbraw/zinc/11/91/38/336119138.db2.gz QWIIGLHLOOHUBH-OAHLLOKOSA-N 2 2 281.400 0.495 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)CCc1ccccn1 ZINC000383916552 336119139 /nfs/dbraw/zinc/11/91/39/336119139.db2.gz QWIIGLHLOOHUBH-OAHLLOKOSA-N 2 2 281.400 0.495 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)CCc1ccccn1 ZINC000383916552 336119141 /nfs/dbraw/zinc/11/91/41/336119141.db2.gz QWIIGLHLOOHUBH-OAHLLOKOSA-N 2 2 281.400 0.495 20 0 CCADLP CCOC(=O)CC[C@@H](O)C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000385668112 336153746 /nfs/dbraw/zinc/15/37/46/336153746.db2.gz LQLPHSKQIZFGIM-VXGBXAGGSA-N 2 2 269.345 0.565 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccoc1 ZINC000385945358 336163021 /nfs/dbraw/zinc/16/30/21/336163021.db2.gz MRBPHQANZHDXLU-CYBMUJFWSA-N 2 2 256.346 0.651 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccoc1 ZINC000385945358 336163022 /nfs/dbraw/zinc/16/30/22/336163022.db2.gz MRBPHQANZHDXLU-CYBMUJFWSA-N 2 2 256.346 0.651 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccoc1 ZINC000385945358 336163023 /nfs/dbraw/zinc/16/30/23/336163023.db2.gz MRBPHQANZHDXLU-CYBMUJFWSA-N 2 2 256.346 0.651 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccoc1 ZINC000385945358 336163024 /nfs/dbraw/zinc/16/30/24/336163024.db2.gz MRBPHQANZHDXLU-CYBMUJFWSA-N 2 2 256.346 0.651 20 0 CCADLP CC(=O)[C@@](C)(O)C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000582006648 336190065 /nfs/dbraw/zinc/19/00/65/336190065.db2.gz QIDJSYQZKUSXMG-AWEZNQCLSA-N 2 2 284.400 0.153 20 0 CCADLP C[C@@H](O)[C@H]1CCN(c2cc(N(C)CC[NH+](C)C)nc[nH+]2)C1 ZINC000413190328 533847104 /nfs/dbraw/zinc/84/71/04/533847104.db2.gz ZYMPEFNZRMVQRJ-OLZOCXBDSA-N 2 2 293.415 0.682 20 0 CCADLP C[C@@H](CNC(=O)C[C@@H]1CC[NH2+]C1)Cn1cc[nH+]c1 ZINC000427293471 533902084 /nfs/dbraw/zinc/90/20/84/533902084.db2.gz BPIAYUOIPOYOBQ-RYUDHWBXSA-N 2 2 250.346 0.635 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)[C@@H]1C ZINC000495063055 533966135 /nfs/dbraw/zinc/96/61/35/533966135.db2.gz XFBAYHTYNWIDIG-KBXIAJHMSA-N 2 2 295.427 0.554 20 0 CCADLP COc1cc(F)cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1 ZINC000449243394 534007707 /nfs/dbraw/zinc/00/77/07/534007707.db2.gz KMAYOJUYUMDNNO-CQSZACIVSA-N 2 2 268.332 0.991 20 0 CCADLP COc1cc(F)cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000449243394 534007713 /nfs/dbraw/zinc/00/77/13/534007713.db2.gz KMAYOJUYUMDNNO-CQSZACIVSA-N 2 2 268.332 0.991 20 0 CCADLP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cnn(C)c1 ZINC000361353400 535804734 /nfs/dbraw/zinc/80/47/34/535804734.db2.gz SYNIBMCTSKVOSS-ZIAGYGMSSA-N 2 2 265.405 0.707 20 0 CCADLP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cnn(C)c1 ZINC000361353400 535804735 /nfs/dbraw/zinc/80/47/35/535804735.db2.gz SYNIBMCTSKVOSS-ZIAGYGMSSA-N 2 2 265.405 0.707 20 0 CCADLP O=C(CCC1CC[NH2+]CC1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000423754227 534334272 /nfs/dbraw/zinc/33/42/72/534334272.db2.gz HSOSXZHIFNTGQC-HNNXBMFYSA-N 2 2 295.427 0.746 20 0 CCADLP O=C(CCC1CC[NH2+]CC1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000423754227 534334280 /nfs/dbraw/zinc/33/42/80/534334280.db2.gz HSOSXZHIFNTGQC-HNNXBMFYSA-N 2 2 295.427 0.746 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070174676 519884630 /nfs/dbraw/zinc/88/46/30/519884630.db2.gz ILRJEECNYJPOJN-GHMZBOCLSA-N 2 2 270.377 0.281 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070174676 519884632 /nfs/dbraw/zinc/88/46/32/519884632.db2.gz ILRJEECNYJPOJN-GHMZBOCLSA-N 2 2 270.377 0.281 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000364994095 520915339 /nfs/dbraw/zinc/91/53/39/520915339.db2.gz KMCCXLSYCYREIA-TZMCWYRMSA-N 2 2 269.389 0.437 20 0 CCADLP CN(CC[N@@H+](C)C1CC1)C(=O)NCC[NH+]1CCOCC1 ZINC000349050123 536365667 /nfs/dbraw/zinc/36/56/67/536365667.db2.gz RPDBRZABDRGUNQ-UHFFFAOYSA-N 2 2 284.404 0.054 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000366346731 522372408 /nfs/dbraw/zinc/37/24/08/522372408.db2.gz LZCMBWDGARFDIQ-CYBMUJFWSA-N 2 2 266.320 0.465 20 0 CCADLP O=C(NCc1ccccc1-n1cc[nH+]c1)[C@H]1COCC[NH2+]1 ZINC000423738060 534679916 /nfs/dbraw/zinc/67/99/16/534679916.db2.gz BKMIUROKJMJPTH-CYBMUJFWSA-N 2 2 286.335 0.477 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000164002630 523848348 /nfs/dbraw/zinc/84/83/48/523848348.db2.gz JUFCEGXPGYGUES-CQSZACIVSA-N 2 2 277.368 0.477 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1cnn2ccccc12 ZINC000068803719 523889726 /nfs/dbraw/zinc/88/97/26/523889726.db2.gz DOIUGVBPRHPFKY-CQSZACIVSA-N 2 2 273.384 0.670 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1cnn2ccccc12 ZINC000068803719 523889728 /nfs/dbraw/zinc/88/97/28/523889728.db2.gz DOIUGVBPRHPFKY-CQSZACIVSA-N 2 2 273.384 0.670 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000070253014 524625900 /nfs/dbraw/zinc/62/59/00/524625900.db2.gz QSVUWFZWMKKGMI-STQMWFEESA-N 2 2 281.400 0.213 20 0 CCADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccncc1F ZINC000340361594 525403855 /nfs/dbraw/zinc/40/38/55/525403855.db2.gz XXASXEQKRCHQCY-GWCFXTLKSA-N 2 2 253.321 0.938 20 0 CCADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccncc1F ZINC000340361594 525403856 /nfs/dbraw/zinc/40/38/56/525403856.db2.gz XXASXEQKRCHQCY-GWCFXTLKSA-N 2 2 253.321 0.938 20 0 CCADLP C[NH+](C)C1(CNc2nc[nH+]c3c2OCCN3)CCOCC1 ZINC000665701279 545103718 /nfs/dbraw/zinc/10/37/18/545103718.db2.gz ZOBCSDDARADODF-UHFFFAOYSA-N 2 2 293.371 0.804 20 0 CCADLP C[C@@H]1CN(c2nc[nH+]c3c2OCCN3)C[C@@H]1[NH+](C)C ZINC000665706091 545104081 /nfs/dbraw/zinc/10/40/81/545104081.db2.gz QLVFOVMCMUNUPA-ZJUUUORDSA-N 2 2 263.345 0.667 20 0 CCADLP C[C@@H](CNc1[nH+]cnc2c1OCCN2)C[NH+](C)C ZINC000665720477 545105632 /nfs/dbraw/zinc/10/56/32/545105632.db2.gz ICLODSOMWHCCBT-VIFPVBQESA-N 2 2 251.334 0.891 20 0 CCADLP C[C@@H](CNc1nc[nH+]c2c1OCCN2)C[NH+](C)C ZINC000665720477 545105633 /nfs/dbraw/zinc/10/56/33/545105633.db2.gz ICLODSOMWHCCBT-VIFPVBQESA-N 2 2 251.334 0.891 20 0 CCADLP CC[N@@H+]1CCN(c2nc[nH+]c3c2OCCN3)[C@@H](C)C1 ZINC000665719053 545105716 /nfs/dbraw/zinc/10/57/16/545105716.db2.gz INZZXYRGXSFVFO-JTQLQIEISA-N 2 2 263.345 0.811 20 0 CCADLP CC[N@H+]1CCN(c2nc[nH+]c3c2OCCN3)[C@@H](C)C1 ZINC000665719053 545105717 /nfs/dbraw/zinc/10/57/17/545105717.db2.gz INZZXYRGXSFVFO-JTQLQIEISA-N 2 2 263.345 0.811 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)NCc2c[nH+]c3n2CCCC3)C1 ZINC000370544469 536440985 /nfs/dbraw/zinc/44/09/85/536440985.db2.gz TWJZQUXBAPRHFY-LBPRGKRZSA-N 2 2 278.356 0.166 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)NCc2c[nH+]c3n2CCCC3)C1 ZINC000370544469 536440988 /nfs/dbraw/zinc/44/09/88/536440988.db2.gz TWJZQUXBAPRHFY-LBPRGKRZSA-N 2 2 278.356 0.166 20 0 CCADLP CC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@H]1C[C@@H]1C ZINC000666085323 545112272 /nfs/dbraw/zinc/11/22/72/545112272.db2.gz DNSADAILBZIWQN-AVGNSLFASA-N 2 2 253.390 0.785 20 0 CCADLP C[N@H+]1CCN(C(=O)Nc2ccc3c(c2)CCO3)[C@H](C[NH3+])C1 ZINC000666779493 545131099 /nfs/dbraw/zinc/13/10/99/545131099.db2.gz RWVSYGNGSLEAKN-CYBMUJFWSA-N 2 2 290.367 0.728 20 0 CCADLP COCC[N@@H+]1CCCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC000667195178 545140848 /nfs/dbraw/zinc/14/08/48/545140848.db2.gz PQHUHXJFUXKYNS-UHFFFAOYSA-N 2 2 269.389 0.261 20 0 CCADLP COCC[N@H+]1CCCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC000667195178 545140849 /nfs/dbraw/zinc/14/08/49/545140849.db2.gz PQHUHXJFUXKYNS-UHFFFAOYSA-N 2 2 269.389 0.261 20 0 CCADLP Cc1[nH+]cc(C[NH+]2CCC(CC(N)=O)CC2)n1C ZINC000667513031 545148916 /nfs/dbraw/zinc/14/89/16/545148916.db2.gz WOTFEUJDMVFYTN-UHFFFAOYSA-N 2 2 250.346 0.816 20 0 CCADLP Cc1[nH+]cc(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)n1C ZINC000667595968 545150608 /nfs/dbraw/zinc/15/06/08/545150608.db2.gz VRPYNUGYMWVLBY-LSDHHAIUSA-N 2 2 278.400 0.760 20 0 CCADLP CC(C)(O)C[NH+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493641763 527343153 /nfs/dbraw/zinc/34/31/53/527343153.db2.gz KKXUBHMVJXPBBF-ONEGZZNKSA-N 2 2 278.356 0.338 20 0 CCADLP Cc1[nH+]cc(CN2CC[NH+](CCC(=O)N(C)C)CC2)n1C ZINC000667675808 545153497 /nfs/dbraw/zinc/15/34/97/545153497.db2.gz XFAKULLAHQXLDJ-UHFFFAOYSA-N 2 2 293.415 0.324 20 0 CCADLP Cc1[nH+]cc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)n1C ZINC000667683083 545153523 /nfs/dbraw/zinc/15/35/23/545153523.db2.gz DSVRIVVVTZCTRC-AWEZNQCLSA-N 2 2 278.400 0.883 20 0 CCADLP c1[nH+]c2n(c1C[N@@H+]1CCN3CCOC[C@@H]3C1)CCC2 ZINC000667982693 545160127 /nfs/dbraw/zinc/16/01/27/545160127.db2.gz NGEMKYSZPSQQPB-ZDUSSCGKSA-N 2 2 262.357 0.346 20 0 CCADLP c1[nH+]c2n(c1C[N@H+]1CCN3CCOC[C@@H]3C1)CCC2 ZINC000667982693 545160128 /nfs/dbraw/zinc/16/01/28/545160128.db2.gz NGEMKYSZPSQQPB-ZDUSSCGKSA-N 2 2 262.357 0.346 20 0 CCADLP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCCn1cc[nH+]c1 ZINC000668042682 545162166 /nfs/dbraw/zinc/16/21/66/545162166.db2.gz JHHYGEAOGATBEM-KBPBESRZSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CCCn1cc[nH+]c1 ZINC000668042682 545162167 /nfs/dbraw/zinc/16/21/67/545162167.db2.gz JHHYGEAOGATBEM-KBPBESRZSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000668163412 545165716 /nfs/dbraw/zinc/16/57/16/545165716.db2.gz SVGJDQOKBJBPFY-RYUDHWBXSA-N 2 2 265.361 0.713 20 0 CCADLP CC(C)[C@H]1CN(C(=O)N[C@H](C)Cn2cc[nH+]c2)CC[NH2+]1 ZINC000668166496 545166118 /nfs/dbraw/zinc/16/61/18/545166118.db2.gz ROXVKMBHBAIYOI-CHWSQXEVSA-N 2 2 279.388 0.911 20 0 CCADLP COCCN(CC[NH+](C)C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000668310330 545172449 /nfs/dbraw/zinc/17/24/49/545172449.db2.gz SLYYPDUWHSNPSQ-CYBMUJFWSA-N 2 2 294.399 0.482 20 0 CCADLP COCCN(CC[NH+](C)C)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000668310379 545172471 /nfs/dbraw/zinc/17/24/71/545172471.db2.gz UWUWXRKWTJXMDE-LBPRGKRZSA-N 2 2 294.399 0.551 20 0 CCADLP COCCN(CC[NH+](C)C)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000668310379 545172472 /nfs/dbraw/zinc/17/24/72/545172472.db2.gz UWUWXRKWTJXMDE-LBPRGKRZSA-N 2 2 294.399 0.551 20 0 CCADLP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000668462543 545178653 /nfs/dbraw/zinc/17/86/53/545178653.db2.gz PBVZETASTRHSDP-VXGBXAGGSA-N 2 2 276.384 0.973 20 0 CCADLP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000668462543 545178654 /nfs/dbraw/zinc/17/86/54/545178654.db2.gz PBVZETASTRHSDP-VXGBXAGGSA-N 2 2 276.384 0.973 20 0 CCADLP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000668462543 545178655 /nfs/dbraw/zinc/17/86/55/545178655.db2.gz PBVZETASTRHSDP-VXGBXAGGSA-N 2 2 276.384 0.973 20 0 CCADLP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000668462543 545178656 /nfs/dbraw/zinc/17/86/56/545178656.db2.gz PBVZETASTRHSDP-VXGBXAGGSA-N 2 2 276.384 0.973 20 0 CCADLP C[C@@H](O)C1([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000668699374 545188181 /nfs/dbraw/zinc/18/81/81/545188181.db2.gz BRCQHHVSPBTAIZ-YPMHNXCESA-N 2 2 254.374 0.743 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH+]1CCO[C@@H](CC)C1 ZINC000428072316 527817368 /nfs/dbraw/zinc/81/73/68/527817368.db2.gz IIAAARSVTMRULZ-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH+]1CCO[C@@H](CC)C1 ZINC000428072316 527817379 /nfs/dbraw/zinc/81/73/79/527817379.db2.gz IIAAARSVTMRULZ-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[NH+](C)CC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000428072316 527817385 /nfs/dbraw/zinc/81/73/85/527817385.db2.gz IIAAARSVTMRULZ-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[NH+](C)CC(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000428072316 527817391 /nfs/dbraw/zinc/81/73/91/527817391.db2.gz IIAAARSVTMRULZ-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH+]1CCO[C@H](CC)C1 ZINC000428072314 527818346 /nfs/dbraw/zinc/81/83/46/527818346.db2.gz IIAAARSVTMRULZ-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH+]1CCO[C@H](CC)C1 ZINC000428072314 527818350 /nfs/dbraw/zinc/81/83/50/527818350.db2.gz IIAAARSVTMRULZ-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[NH+](C)CC(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000428072314 527818354 /nfs/dbraw/zinc/81/83/54/527818354.db2.gz IIAAARSVTMRULZ-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[NH+](C)CC(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000428072314 527818358 /nfs/dbraw/zinc/81/83/58/527818358.db2.gz IIAAARSVTMRULZ-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP CC(C)OC1CC([NH2+]C[C@H]2C[N@H+](C)CCN2C)C1 ZINC000428076954 527882540 /nfs/dbraw/zinc/88/25/40/527882540.db2.gz DAAOJVNONASEAB-MOKVOYLWSA-N 2 2 255.406 0.778 20 0 CCADLP CC(C)OC1CC([NH2+]C[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000428076954 527882543 /nfs/dbraw/zinc/88/25/43/527882543.db2.gz DAAOJVNONASEAB-MOKVOYLWSA-N 2 2 255.406 0.778 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492915825 527955441 /nfs/dbraw/zinc/95/54/41/527955441.db2.gz YBTWYIDMNQQFMF-ONEGZZNKSA-N 2 2 292.383 0.992 20 0 CCADLP C[C@@H](NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000669538180 545213792 /nfs/dbraw/zinc/21/37/92/545213792.db2.gz CDZJALCPKOKUCW-XQHKEYJVSA-N 2 2 284.404 0.097 20 0 CCADLP C[C@@H](NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000669538180 545213793 /nfs/dbraw/zinc/21/37/93/545213793.db2.gz CDZJALCPKOKUCW-XQHKEYJVSA-N 2 2 284.404 0.097 20 0 CCADLP Cc1c[nH]nc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000669604072 545216499 /nfs/dbraw/zinc/21/64/99/545216499.db2.gz HKLNICSQSCWETL-LBPRGKRZSA-N 2 2 291.399 0.616 20 0 CCADLP Cc1c[nH]nc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000669604072 545216500 /nfs/dbraw/zinc/21/65/00/545216500.db2.gz HKLNICSQSCWETL-LBPRGKRZSA-N 2 2 291.399 0.616 20 0 CCADLP CC(C)c1nc(NC[C@H](C)[NH+](C)C)nc(N(C)C)[nH+]1 ZINC000450816324 528289293 /nfs/dbraw/zinc/28/92/93/528289293.db2.gz BODRNBOFFAAPNB-JTQLQIEISA-N 2 2 266.393 0.845 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](C[C@@H]3CCCO3)CC2)CCO1 ZINC000669687473 545219203 /nfs/dbraw/zinc/21/92/03/545219203.db2.gz LZIQJAUWLYUNTJ-CVEARBPZSA-N 2 2 297.443 0.504 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC23CCC3)CC1 ZINC000669699124 545219593 /nfs/dbraw/zinc/21/95/93/545219593.db2.gz OLCAAXPFDQPNLV-GFCCVEGCSA-N 2 2 251.374 0.683 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H](C)CCC[NH3+] ZINC000423680498 528478912 /nfs/dbraw/zinc/47/89/12/528478912.db2.gz LIJCHUWBKLAQQZ-CHWSQXEVSA-N 2 2 271.405 0.731 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H](C)CCC[NH3+] ZINC000423680498 528478915 /nfs/dbraw/zinc/47/89/15/528478915.db2.gz LIJCHUWBKLAQQZ-CHWSQXEVSA-N 2 2 271.405 0.731 20 0 CCADLP CCOC1CC([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC000449387215 528510808 /nfs/dbraw/zinc/51/08/08/528510808.db2.gz KYQASFQBGNNJQE-MOKVOYLWSA-N 2 2 256.390 0.990 20 0 CCADLP CCOC1CC([NH2+]C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC000449387215 528510812 /nfs/dbraw/zinc/51/08/12/528510812.db2.gz KYQASFQBGNNJQE-MOKVOYLWSA-N 2 2 256.390 0.990 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428035529 528597197 /nfs/dbraw/zinc/59/71/97/528597197.db2.gz VEEGNKVOMULUEI-KGLIPLIRSA-N 2 2 283.416 0.603 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428035529 528597203 /nfs/dbraw/zinc/59/72/03/528597203.db2.gz VEEGNKVOMULUEI-KGLIPLIRSA-N 2 2 283.416 0.603 20 0 CCADLP CC(C)n1cncc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000424164931 528627107 /nfs/dbraw/zinc/62/71/07/528627107.db2.gz FGLYIWZOIZFHDN-CYBMUJFWSA-N 2 2 252.362 0.620 20 0 CCADLP CC(C)n1cncc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000424164931 528627109 /nfs/dbraw/zinc/62/71/09/528627109.db2.gz FGLYIWZOIZFHDN-CYBMUJFWSA-N 2 2 252.362 0.620 20 0 CCADLP CC[C@@H](Cn1cncn1)[NH2+]CC[NH+]1CCC(OC)CC1 ZINC000671115754 545242938 /nfs/dbraw/zinc/24/29/38/545242938.db2.gz FXPVHHSQOUEGKT-ZDUSSCGKSA-N 2 2 281.404 0.757 20 0 CCADLP CCCC[C@@H](C[NH3+])NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000418216464 528808757 /nfs/dbraw/zinc/80/87/57/528808757.db2.gz ONQZHLPMEZZWTC-JSGCOSHPSA-N 2 2 298.431 0.666 20 0 CCADLP CCCC[C@@H](C[NH3+])NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000418216464 528808763 /nfs/dbraw/zinc/80/87/63/528808763.db2.gz ONQZHLPMEZZWTC-JSGCOSHPSA-N 2 2 298.431 0.666 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000672152870 545263384 /nfs/dbraw/zinc/26/33/84/545263384.db2.gz PKNKQYINRFBJLH-DGCLKSJQSA-N 2 2 278.356 0.035 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000672152870 545263385 /nfs/dbraw/zinc/26/33/85/545263385.db2.gz PKNKQYINRFBJLH-DGCLKSJQSA-N 2 2 278.356 0.035 20 0 CCADLP COCC[N@@H+]1CCC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000672870193 545274425 /nfs/dbraw/zinc/27/44/25/545274425.db2.gz RCTABHOGBJRGIN-GFCCVEGCSA-N 2 2 280.372 0.569 20 0 CCADLP COCC[N@H+]1CCC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000672870193 545274426 /nfs/dbraw/zinc/27/44/26/545274426.db2.gz RCTABHOGBJRGIN-GFCCVEGCSA-N 2 2 280.372 0.569 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672876920 545274784 /nfs/dbraw/zinc/27/47/84/545274784.db2.gz QXNMPDCBFNKBML-GFCCVEGCSA-N 2 2 262.357 0.563 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672876920 545274785 /nfs/dbraw/zinc/27/47/85/545274785.db2.gz QXNMPDCBFNKBML-GFCCVEGCSA-N 2 2 262.357 0.563 20 0 CCADLP CC1(C)CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC[NH2+]1 ZINC000423713767 529098490 /nfs/dbraw/zinc/09/84/90/529098490.db2.gz WITHJBLYWIXSPS-AWEZNQCLSA-N 2 2 295.427 0.840 20 0 CCADLP CC1(C)CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC[NH2+]1 ZINC000423713767 529098495 /nfs/dbraw/zinc/09/84/95/529098495.db2.gz WITHJBLYWIXSPS-AWEZNQCLSA-N 2 2 295.427 0.840 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)N[C@@H](C)CCC[NH3+])CCO1 ZINC000418692229 529293948 /nfs/dbraw/zinc/29/39/48/529293948.db2.gz RUTJVFHQNTVCCE-STQMWFEESA-N 2 2 286.420 0.524 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)N[C@@H](C)CCC[NH3+])CCO1 ZINC000418692229 529293946 /nfs/dbraw/zinc/29/39/46/529293946.db2.gz RUTJVFHQNTVCCE-STQMWFEESA-N 2 2 286.420 0.524 20 0 CCADLP C[C@@H](OCC1CC1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000674001037 545298208 /nfs/dbraw/zinc/29/82/08/545298208.db2.gz CSQUPNMSADZCPQ-CYBMUJFWSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H](C(=O)N1CCC[C@H](n2cc[nH+]c2)C1)[NH+](C)C ZINC000674287213 545302762 /nfs/dbraw/zinc/30/27/62/545302762.db2.gz DWMBDBVKYGJRDH-RYUDHWBXSA-N 2 2 250.346 0.997 20 0 CCADLP COC1CC[NH+](CCNC(=O)NCc2[nH+]ccn2C)CC1 ZINC000674327344 545304428 /nfs/dbraw/zinc/30/44/28/545304428.db2.gz DQDOOIKBXFRXHF-UHFFFAOYSA-N 2 2 295.387 0.330 20 0 CCADLP CC(C)[C@H](C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C)N1CCOCC1 ZINC000343087886 535023273 /nfs/dbraw/zinc/02/32/73/535023273.db2.gz XARPYGGQADKTSO-KKUMJFAQSA-N 2 2 269.433 0.883 20 0 CCADLP CC(C)[C@H](C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)N1CCOCC1 ZINC000343087886 535023275 /nfs/dbraw/zinc/02/32/75/535023275.db2.gz XARPYGGQADKTSO-KKUMJFAQSA-N 2 2 269.433 0.883 20 0 CCADLP NS(=O)(=O)CCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000674371987 545305379 /nfs/dbraw/zinc/30/53/79/545305379.db2.gz VYPKTWMRCQHTDO-UHFFFAOYSA-N 2 2 272.374 0.268 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000269251624 535056512 /nfs/dbraw/zinc/05/65/12/535056512.db2.gz ZBVBGGULRIOONZ-LBPRGKRZSA-N 2 2 250.346 0.747 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(CC(N)=O)cc1 ZINC000674912518 545318363 /nfs/dbraw/zinc/31/83/63/545318363.db2.gz FXSQDNBLPVAZBH-SMDDNHRTSA-N 2 2 261.369 0.754 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(CC(N)=O)cc1 ZINC000674912518 545318364 /nfs/dbraw/zinc/31/83/64/545318364.db2.gz FXSQDNBLPVAZBH-SMDDNHRTSA-N 2 2 261.369 0.754 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000675886227 545332253 /nfs/dbraw/zinc/33/22/53/545332253.db2.gz BTZOGKFFAMQPNS-ZIAGYGMSSA-N 2 2 271.405 0.017 20 0 CCADLP Cc1nc(NCC(C)(C)[NH+](C)C)nc(N(C)C)[nH+]1 ZINC000676077898 545334578 /nfs/dbraw/zinc/33/45/78/545334578.db2.gz ZNFQLMYYCJNYKT-UHFFFAOYSA-N 2 2 252.366 0.998 20 0 CCADLP C[C@H](NC(=O)NCCCn1cc[nH+]c1)[C@H]1C[N@H+](C)CCO1 ZINC000676234161 545337249 /nfs/dbraw/zinc/33/72/49/545337249.db2.gz RUGLUNXRNYWMCE-QWHCGFSZSA-N 2 2 295.387 0.292 20 0 CCADLP C[C@H](NC(=O)NCCCn1cc[nH+]c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676234161 545337250 /nfs/dbraw/zinc/33/72/50/545337250.db2.gz RUGLUNXRNYWMCE-QWHCGFSZSA-N 2 2 295.387 0.292 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H]1C[NH+](C)CCO1 ZINC000676347513 545342271 /nfs/dbraw/zinc/34/22/71/545342271.db2.gz KGISPMHTCZWRGQ-VXGBXAGGSA-N 2 2 257.378 0.162 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@H]1C[NH+](C)CCO1 ZINC000676347513 545342272 /nfs/dbraw/zinc/34/22/72/545342272.db2.gz KGISPMHTCZWRGQ-VXGBXAGGSA-N 2 2 257.378 0.162 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000676347513 545342273 /nfs/dbraw/zinc/34/22/73/545342273.db2.gz KGISPMHTCZWRGQ-VXGBXAGGSA-N 2 2 257.378 0.162 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000676347513 545342274 /nfs/dbraw/zinc/34/22/74/545342274.db2.gz KGISPMHTCZWRGQ-VXGBXAGGSA-N 2 2 257.378 0.162 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676390621 545343103 /nfs/dbraw/zinc/34/31/03/545343103.db2.gz ZZSKVQYCJAFIMS-HUUCEWRRSA-N 2 2 295.427 0.794 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676390621 545343104 /nfs/dbraw/zinc/34/31/04/545343104.db2.gz ZZSKVQYCJAFIMS-HUUCEWRRSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(C)CCOCC1 ZINC000676664644 545348157 /nfs/dbraw/zinc/34/81/57/545348157.db2.gz HFERKWJIGIUFHF-UHFFFAOYSA-N 2 2 285.432 0.803 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(C)CCOCC1 ZINC000676664644 545348158 /nfs/dbraw/zinc/34/81/58/545348158.db2.gz HFERKWJIGIUFHF-UHFFFAOYSA-N 2 2 285.432 0.803 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1C[N@H+](C)CCO1 ZINC000676701494 545349610 /nfs/dbraw/zinc/34/96/10/545349610.db2.gz IALDZYZSGQSLFW-XQQFMLRXSA-N 2 2 292.383 0.281 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676701494 545349611 /nfs/dbraw/zinc/34/96/11/545349611.db2.gz IALDZYZSGQSLFW-XQQFMLRXSA-N 2 2 292.383 0.281 20 0 CCADLP CCOC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000250478139 535676951 /nfs/dbraw/zinc/67/69/51/535676951.db2.gz SIZNXMRSJOIPKP-QWHCGFSZSA-N 2 2 297.399 0.130 20 0 CCADLP CCOC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000250478139 535676956 /nfs/dbraw/zinc/67/69/56/535676956.db2.gz SIZNXMRSJOIPKP-QWHCGFSZSA-N 2 2 297.399 0.130 20 0 CCADLP CCN1CC[NH+](CCC(=O)N2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000341780620 535678642 /nfs/dbraw/zinc/67/86/42/535678642.db2.gz SIQBDJZKGRYOFE-HNNXBMFYSA-N 2 2 296.459 0.567 20 0 CCADLP CCN1CC[NH+](CCC(=O)N2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000341780620 535678643 /nfs/dbraw/zinc/67/86/43/535678643.db2.gz SIQBDJZKGRYOFE-HNNXBMFYSA-N 2 2 296.459 0.567 20 0 CCADLP C[C@@H](NC(=O)NCC[NH+]1CCC1)[C@H](C)[NH+]1CCOCC1 ZINC000677011872 545356827 /nfs/dbraw/zinc/35/68/27/545356827.db2.gz DLWCZUUGIACACE-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP CC[C@@H]1CO[C@@H](C)C[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000311077072 535842819 /nfs/dbraw/zinc/84/28/19/535842819.db2.gz MVULSQFMUOYLKT-SCRDCRAPSA-N 2 2 256.390 0.941 20 0 CCADLP CC[C@@H]1CO[C@@H](C)C[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000311077072 535842828 /nfs/dbraw/zinc/84/28/28/535842828.db2.gz MVULSQFMUOYLKT-SCRDCRAPSA-N 2 2 256.390 0.941 20 0 CCADLP CC[C@@H]1CO[C@@H](C)C[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000311077072 535842832 /nfs/dbraw/zinc/84/28/32/535842832.db2.gz MVULSQFMUOYLKT-SCRDCRAPSA-N 2 2 256.390 0.941 20 0 CCADLP CC[C@@H]1CO[C@@H](C)C[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000311077072 535842835 /nfs/dbraw/zinc/84/28/35/535842835.db2.gz MVULSQFMUOYLKT-SCRDCRAPSA-N 2 2 256.390 0.941 20 0 CCADLP CC[C@H](O)C[NH+]1CCN(C(=O)C[N@H+](CC)C2CC2)CC1 ZINC000343706536 535987386 /nfs/dbraw/zinc/98/73/86/535987386.db2.gz YYEVOFTVUFIZGA-AWEZNQCLSA-N 2 2 283.416 0.386 20 0 CCADLP CC[C@H](O)C[NH+]1CCN(C(=O)C[N@@H+](CC)C2CC2)CC1 ZINC000343706536 535987387 /nfs/dbraw/zinc/98/73/87/535987387.db2.gz YYEVOFTVUFIZGA-AWEZNQCLSA-N 2 2 283.416 0.386 20 0 CCADLP C[N@H+](CC(=O)NCc1c[nH+]c[nH]1)[C@@H]1CCSC1 ZINC000677897304 545376095 /nfs/dbraw/zinc/37/60/95/545376095.db2.gz YRBAFKCPRHTLNA-SNVBAGLBSA-N 2 2 254.359 0.463 20 0 CCADLP C[N@@H+](CC(=O)NCc1c[nH+]c[nH]1)[C@@H]1CCSC1 ZINC000677897304 545376096 /nfs/dbraw/zinc/37/60/96/545376096.db2.gz YRBAFKCPRHTLNA-SNVBAGLBSA-N 2 2 254.359 0.463 20 0 CCADLP C[N@H+](CC(=O)NCc1c[nH]c[nH+]1)[C@@H]1CCSC1 ZINC000677897304 545376097 /nfs/dbraw/zinc/37/60/97/545376097.db2.gz YRBAFKCPRHTLNA-SNVBAGLBSA-N 2 2 254.359 0.463 20 0 CCADLP C[N@@H+](CC(=O)NCc1c[nH]c[nH+]1)[C@@H]1CCSC1 ZINC000677897304 545376098 /nfs/dbraw/zinc/37/60/98/545376098.db2.gz YRBAFKCPRHTLNA-SNVBAGLBSA-N 2 2 254.359 0.463 20 0 CCADLP O[C@H]1CCC[C@@H]1[NH+]1CCN(CCn2cc[nH+]c2)CC1 ZINC000677984243 545380213 /nfs/dbraw/zinc/38/02/13/545380213.db2.gz RINLBPFZIHUWPV-KBPBESRZSA-N 2 2 264.373 0.414 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000677986927 545380401 /nfs/dbraw/zinc/38/04/01/545380401.db2.gz XZFCLCQUVCQNPE-MRXNPFEDSA-N 3 2 291.443 0.903 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000677986927 545380402 /nfs/dbraw/zinc/38/04/02/545380402.db2.gz XZFCLCQUVCQNPE-MRXNPFEDSA-N 3 2 291.443 0.903 20 0 CCADLP Cc1[nH+]ccn1CCN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000677986927 545380403 /nfs/dbraw/zinc/38/04/03/545380403.db2.gz XZFCLCQUVCQNPE-MRXNPFEDSA-N 2 2 291.443 0.903 20 0 CCADLP Cc1[nH+]ccn1CCN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000677986927 545380404 /nfs/dbraw/zinc/38/04/04/545380404.db2.gz XZFCLCQUVCQNPE-MRXNPFEDSA-N 2 2 291.443 0.903 20 0 CCADLP CN(C)C(=O)CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000516980034 536075685 /nfs/dbraw/zinc/07/56/85/536075685.db2.gz VBLSCKAEDJYPKB-UHFFFAOYSA-N 2 2 251.334 0.010 20 0 CCADLP C[N@H+](CC[C@@H]1CCC[NH+]1C)CCN1CCCS1(=O)=O ZINC000678079005 545383663 /nfs/dbraw/zinc/38/36/63/545383663.db2.gz LEMWEQZRIIHBRN-ZDUSSCGKSA-N 2 2 289.445 0.438 20 0 CCADLP C[N@@H+](CC[C@@H]1CCC[NH+]1C)CCN1CCCS1(=O)=O ZINC000678079005 545383664 /nfs/dbraw/zinc/38/36/64/545383664.db2.gz LEMWEQZRIIHBRN-ZDUSSCGKSA-N 2 2 289.445 0.438 20 0 CCADLP C[NH+](CC[C@@H]1CCC[N@@H+]1C)CCN1CCCS1(=O)=O ZINC000678079005 545383665 /nfs/dbraw/zinc/38/36/65/545383665.db2.gz LEMWEQZRIIHBRN-ZDUSSCGKSA-N 2 2 289.445 0.438 20 0 CCADLP C[NH+](CC[C@@H]1CCC[N@H+]1C)CCN1CCCS1(=O)=O ZINC000678079005 545383666 /nfs/dbraw/zinc/38/36/66/545383666.db2.gz LEMWEQZRIIHBRN-ZDUSSCGKSA-N 2 2 289.445 0.438 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000678080535 545384045 /nfs/dbraw/zinc/38/40/45/545384045.db2.gz CSTDSVFWYHKSCS-GXTWGEPZSA-N 2 2 281.400 0.437 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000678080535 545384046 /nfs/dbraw/zinc/38/40/46/545384046.db2.gz CSTDSVFWYHKSCS-GXTWGEPZSA-N 2 2 281.400 0.437 20 0 CCADLP Cn1nnnc1CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000678498784 545393082 /nfs/dbraw/zinc/39/30/82/545393082.db2.gz CZPXKQUEGCGYHO-UHFFFAOYSA-N 2 2 283.339 0.728 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000678715618 545396609 /nfs/dbraw/zinc/39/66/09/545396609.db2.gz ZXXARUJZNVHZQA-PMPSAXMXSA-N 2 2 297.443 0.238 20 0 CCADLP CN(CC[N@H+](C)C1CC1)C(=O)NCC[NH+]1CCOCC1 ZINC000349050123 536365665 /nfs/dbraw/zinc/36/56/65/536365665.db2.gz RPDBRZABDRGUNQ-UHFFFAOYSA-N 2 2 284.404 0.054 20 0 CCADLP CC[N@@H+]1CCN(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)C[C@H]1C ZINC000678889103 545399573 /nfs/dbraw/zinc/39/95/73/545399573.db2.gz HHYHPFBESSLOFF-KFWWJZLASA-N 2 2 267.417 0.876 20 0 CCADLP CC[N@H+]1CCN(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)C[C@H]1C ZINC000678889103 545399574 /nfs/dbraw/zinc/39/95/74/545399574.db2.gz HHYHPFBESSLOFF-KFWWJZLASA-N 2 2 267.417 0.876 20 0 CCADLP CC[NH+]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@H]1C ZINC000678889103 545399575 /nfs/dbraw/zinc/39/95/75/545399575.db2.gz HHYHPFBESSLOFF-KFWWJZLASA-N 2 2 267.417 0.876 20 0 CCADLP CC[NH+]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@H]1C ZINC000678889103 545399576 /nfs/dbraw/zinc/39/95/76/545399576.db2.gz HHYHPFBESSLOFF-KFWWJZLASA-N 2 2 267.417 0.876 20 0 CCADLP COCCCN(C)CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000343251253 536511095 /nfs/dbraw/zinc/51/10/95/536511095.db2.gz MJUBAGSIJTXHBW-XHSDSOJGSA-N 2 2 299.459 0.701 20 0 CCADLP COC1(C)CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000345659045 536574729 /nfs/dbraw/zinc/57/47/29/536574729.db2.gz HBAJFJJAFWJRQV-UHFFFAOYSA-N 2 2 298.431 0.443 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cnc3ccccn23)C1 ZINC000680815487 545434846 /nfs/dbraw/zinc/43/48/46/545434846.db2.gz QUVQTTFWAFLEHL-CQSZACIVSA-N 2 2 260.341 0.491 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cnc3ccccn23)C1 ZINC000680815487 545434847 /nfs/dbraw/zinc/43/48/47/545434847.db2.gz QUVQTTFWAFLEHL-CQSZACIVSA-N 2 2 260.341 0.491 20 0 CCADLP C[C@@H]1C[N@H+](C)CCN1c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000682392668 545478237 /nfs/dbraw/zinc/47/82/37/545478237.db2.gz SHTFPOSTZWVLTK-SNVBAGLBSA-N 2 2 273.344 0.385 20 0 CCADLP CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000682501368 545481022 /nfs/dbraw/zinc/48/10/22/545481022.db2.gz STGGGULRIHOEEI-UONOGXRCSA-N 2 2 288.395 0.998 20 0 CCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[NH+]2CCC1CC2 ZINC000682568372 545483986 /nfs/dbraw/zinc/48/39/86/545483986.db2.gz BWBZNPMQBSTPFX-GFCCVEGCSA-N 2 2 274.368 0.752 20 0 CCADLP NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cc[nH+]c(N)c1 ZINC000683787458 545563895 /nfs/dbraw/zinc/56/38/95/545563895.db2.gz JQJMQRPYSFZAHG-WZRBSPASSA-N 2 2 260.341 0.750 20 0 CCADLP NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cc[nH+]c(N)c1 ZINC000683787458 545563899 /nfs/dbraw/zinc/56/38/99/545563899.db2.gz JQJMQRPYSFZAHG-WZRBSPASSA-N 2 2 260.341 0.750 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C[C@@H](O)C[NH+]1CCCC1 ZINC000789342407 581144197 /nfs/dbraw/zinc/14/41/97/581144197.db2.gz UVJGUQZACXMWFE-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H](CN1CCOCC1)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000789342407 581144200 /nfs/dbraw/zinc/14/42/00/581144200.db2.gz UVJGUQZACXMWFE-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H](CN1CCOCC1)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000789342407 581144202 /nfs/dbraw/zinc/14/42/02/581144202.db2.gz UVJGUQZACXMWFE-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@@H]1CC1(C)C ZINC000397684547 581179752 /nfs/dbraw/zinc/17/97/52/581179752.db2.gz MXEJGEKWXJWLKQ-RYUDHWBXSA-N 2 2 253.390 0.785 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)N2CCC[NH+](C)CC2)CCO1 ZINC000726259043 581234288 /nfs/dbraw/zinc/23/42/88/581234288.db2.gz ZHGXZGWUIRDZIY-ZDUSSCGKSA-N 2 2 284.404 0.054 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)N2CCC[NH+](C)CC2)CCO1 ZINC000726259043 581234290 /nfs/dbraw/zinc/23/42/90/581234290.db2.gz ZHGXZGWUIRDZIY-ZDUSSCGKSA-N 2 2 284.404 0.054 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)N2CCC[N@H+](C)CC2)CCO1 ZINC000726259043 581234291 /nfs/dbraw/zinc/23/42/91/581234291.db2.gz ZHGXZGWUIRDZIY-ZDUSSCGKSA-N 2 2 284.404 0.054 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)N2CCC[N@@H+](C)CC2)CCO1 ZINC000726259043 581234293 /nfs/dbraw/zinc/23/42/93/581234293.db2.gz ZHGXZGWUIRDZIY-ZDUSSCGKSA-N 2 2 284.404 0.054 20 0 CCADLP O=C(C1CC1)N1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000781931880 581280876 /nfs/dbraw/zinc/28/08/76/581280876.db2.gz HIFSKMOYGMOPEN-HNNXBMFYSA-N 2 2 295.427 0.387 20 0 CCADLP O=C(C1CC1)N1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000781931880 581280879 /nfs/dbraw/zinc/28/08/79/581280879.db2.gz HIFSKMOYGMOPEN-HNNXBMFYSA-N 2 2 295.427 0.387 20 0 CCADLP Cc1nc(NC[C@@H](O)C[NH+](C)C)c2c([nH+]1)CCCC2 ZINC000782140729 581289925 /nfs/dbraw/zinc/28/99/25/581289925.db2.gz GTDHSCHMUUZEHA-LLVKDONJSA-N 2 2 264.373 0.998 20 0 CCADLP COC[C@@H]1CC[N@H+](CN2C[C@H](c3c[nH+]cn3C)CC2=O)C1 ZINC000783995813 581370566 /nfs/dbraw/zinc/37/05/66/581370566.db2.gz SWCARNVFZLTINU-CHWSQXEVSA-N 2 2 292.383 0.662 20 0 CCADLP COC[C@@H]1CC[N@@H+](CN2C[C@H](c3c[nH+]cn3C)CC2=O)C1 ZINC000783995813 581370567 /nfs/dbraw/zinc/37/05/67/581370567.db2.gz SWCARNVFZLTINU-CHWSQXEVSA-N 2 2 292.383 0.662 20 0 CCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCCNc2ncccn2)C1 ZINC000784575608 581389398 /nfs/dbraw/zinc/38/93/98/581389398.db2.gz WDOGUUJHIPKRAL-CYBMUJFWSA-N 2 2 279.388 0.589 20 0 CCADLP COCC[N@H+]1CC[C@@H]([NH2+]CCCNc2ncccn2)C1 ZINC000784575608 581389399 /nfs/dbraw/zinc/38/93/99/581389399.db2.gz WDOGUUJHIPKRAL-CYBMUJFWSA-N 2 2 279.388 0.589 20 0 CCADLP COC(=O)N1CC([NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000796331386 581437361 /nfs/dbraw/zinc/43/73/61/581437361.db2.gz OQKGEAVAJHIPKV-UHFFFAOYSA-N 2 2 284.385 0.745 20 0 CCADLP c1[nH]c(CN2CCN(CC[NH+]3CCCC3)CC2)c[nH+]1 ZINC000796444178 581440762 /nfs/dbraw/zinc/44/07/62/581440762.db2.gz DBGCVOYXRZHIKE-UHFFFAOYSA-N 2 2 263.389 0.623 20 0 CCADLP c1[nH]cc(CN2CCN(CC[NH+]3CCCC3)CC2)[nH+]1 ZINC000796444178 581440765 /nfs/dbraw/zinc/44/07/65/581440765.db2.gz DBGCVOYXRZHIKE-UHFFFAOYSA-N 2 2 263.389 0.623 20 0 CCADLP C[NH+](C)CCOCCNC(=O)c1cccc2[nH+]ccn21 ZINC000753439143 581541401 /nfs/dbraw/zinc/54/14/01/581541401.db2.gz KMMAFXDTXSERTM-UHFFFAOYSA-N 2 2 276.340 0.642 20 0 CCADLP Cc1nonc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000734148861 581545222 /nfs/dbraw/zinc/54/52/22/581545222.db2.gz OETRVXCXBSGXOI-UHFFFAOYSA-N 2 2 280.372 0.922 20 0 CCADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC1=[NH+]CCS1 ZINC000740749601 581550218 /nfs/dbraw/zinc/55/02/18/581550218.db2.gz HASFKOYVJODMFL-NSHDSACASA-N 2 2 285.413 0.999 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1nnc2ccccn21 ZINC000756107773 581656972 /nfs/dbraw/zinc/65/69/72/581656972.db2.gz WSSNFRSOLRJCLL-RYUDHWBXSA-N 2 2 259.357 0.812 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1nnc2ccccn21 ZINC000756107773 581656975 /nfs/dbraw/zinc/65/69/75/581656975.db2.gz WSSNFRSOLRJCLL-RYUDHWBXSA-N 2 2 259.357 0.812 20 0 CCADLP Cn1c(CO)nn(C[NH+]2CCC(C[NH+](C)C)CC2)c1=S ZINC000769835291 581709833 /nfs/dbraw/zinc/70/98/33/581709833.db2.gz WQZCRSMUQMHQHY-UHFFFAOYSA-N 2 2 299.444 0.674 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2nncn2C)C1 ZINC000770038578 581726802 /nfs/dbraw/zinc/72/68/02/581726802.db2.gz PVYCKFSFYZMQEO-NSHDSACASA-N 2 2 260.345 0.928 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2nncn2C)C1 ZINC000770038578 581726805 /nfs/dbraw/zinc/72/68/05/581726805.db2.gz PVYCKFSFYZMQEO-NSHDSACASA-N 2 2 260.345 0.928 20 0 CCADLP OC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccsc1 ZINC000770688578 581761473 /nfs/dbraw/zinc/76/14/73/581761473.db2.gz MVZHLLJGAYSPFK-STQMWFEESA-N 2 2 270.398 0.828 20 0 CCADLP CC(C)(C)OC(=O)NCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000759785704 581823062 /nfs/dbraw/zinc/82/30/62/581823062.db2.gz UNPYIZSDWJSKBN-QWRGUYRKSA-N 2 2 255.362 0.662 20 0 CCADLP C[C@@H]1C[NH+]=C(N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)S1 ZINC000744609188 581845716 /nfs/dbraw/zinc/84/57/16/581845716.db2.gz WGQWVGRMWQFOJV-VXGBXAGGSA-N 2 2 296.440 0.574 20 0 CCADLP C[C@@H]1C[NH+]=C(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)S1 ZINC000744609188 581845719 /nfs/dbraw/zinc/84/57/19/581845719.db2.gz WGQWVGRMWQFOJV-VXGBXAGGSA-N 2 2 296.440 0.574 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CN1CCCC1=O ZINC000746655008 581921599 /nfs/dbraw/zinc/92/15/99/581921599.db2.gz ZJGYEDIWXMXUGZ-MGPQQGTHSA-N 2 2 281.400 0.750 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CN1CCCC1=O ZINC000746655008 581921601 /nfs/dbraw/zinc/92/16/01/581921601.db2.gz ZJGYEDIWXMXUGZ-MGPQQGTHSA-N 2 2 281.400 0.750 20 0 CCADLP Cc1nc(N2CC[NH+](CC[S@](C)=O)CC2)c(C)c(C)[nH+]1 ZINC000761907928 581925480 /nfs/dbraw/zinc/92/54/80/581925480.db2.gz QTFACZBBDWAERS-FQEVSTJZSA-N 2 2 296.440 0.902 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CCN(C=O)CC1 ZINC000774226520 581966240 /nfs/dbraw/zinc/96/62/40/581966240.db2.gz QPVIQAVOEARNEX-RISCZKNCSA-N 2 2 251.374 0.680 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CCN(C=O)CC1 ZINC000774226520 581966242 /nfs/dbraw/zinc/96/62/42/581966242.db2.gz QPVIQAVOEARNEX-RISCZKNCSA-N 2 2 251.374 0.680 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000748555676 581980188 /nfs/dbraw/zinc/98/01/88/581980188.db2.gz JRTDZDBCJGRIMA-ZDUSSCGKSA-N 2 2 285.351 0.978 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000748555676 581980190 /nfs/dbraw/zinc/98/01/90/581980190.db2.gz JRTDZDBCJGRIMA-ZDUSSCGKSA-N 2 2 285.351 0.978 20 0 CCADLP OCC[N@@H+](Cc1cccnc1)C[C@H](O)C[NH+]1CCCC1 ZINC000763410223 581998137 /nfs/dbraw/zinc/99/81/37/581998137.db2.gz VODMGZHYTYEKHY-OAHLLOKOSA-N 2 2 279.384 0.333 20 0 CCADLP OCC[N@H+](Cc1cccnc1)C[C@H](O)C[NH+]1CCCC1 ZINC000763410223 581998139 /nfs/dbraw/zinc/99/81/39/581998139.db2.gz VODMGZHYTYEKHY-OAHLLOKOSA-N 2 2 279.384 0.333 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)NCCNc1cccc(C)[nH+]1 ZINC000775605507 582031819 /nfs/dbraw/zinc/03/18/19/582031819.db2.gz FOKLYPZCADZIJU-CYBMUJFWSA-N 2 2 292.383 0.639 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)NCCNc1cccc(C)[nH+]1 ZINC000775605507 582031822 /nfs/dbraw/zinc/03/18/22/582031822.db2.gz FOKLYPZCADZIJU-CYBMUJFWSA-N 2 2 292.383 0.639 20 0 CCADLP C[C@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC[N@@H+]1C ZINC000764403330 582045029 /nfs/dbraw/zinc/04/50/29/582045029.db2.gz VPXULLSYOGXXAK-RYUDHWBXSA-N 2 2 262.357 0.608 20 0 CCADLP C[C@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC[N@H+]1C ZINC000764403330 582045031 /nfs/dbraw/zinc/04/50/31/582045031.db2.gz VPXULLSYOGXXAK-RYUDHWBXSA-N 2 2 262.357 0.608 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)NCC2=CC[NH+](C)CC2)CCO1 ZINC000776042786 582050116 /nfs/dbraw/zinc/05/01/16/582050116.db2.gz UVKPMDAIXODSGN-ZDUSSCGKSA-N 2 2 296.415 0.268 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)NCC2=CC[NH+](C)CC2)CCO1 ZINC000776042786 582050119 /nfs/dbraw/zinc/05/01/19/582050119.db2.gz UVKPMDAIXODSGN-ZDUSSCGKSA-N 2 2 296.415 0.268 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)NCC2=CC[N@H+](C)CC2)CCO1 ZINC000776042786 582050121 /nfs/dbraw/zinc/05/01/21/582050121.db2.gz UVKPMDAIXODSGN-ZDUSSCGKSA-N 2 2 296.415 0.268 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)NCC2=CC[N@@H+](C)CC2)CCO1 ZINC000776042786 582050124 /nfs/dbraw/zinc/05/01/24/582050124.db2.gz UVKPMDAIXODSGN-ZDUSSCGKSA-N 2 2 296.415 0.268 20 0 CCADLP O[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000752311227 582103544 /nfs/dbraw/zinc/10/35/44/582103544.db2.gz SCKMSKRBBZSVOW-BETUJISGSA-N 2 2 274.324 0.195 20 0 CCADLP O[C@@H]1C[C@H](O)C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000752311227 582103545 /nfs/dbraw/zinc/10/35/45/582103545.db2.gz SCKMSKRBBZSVOW-BETUJISGSA-N 2 2 274.324 0.195 20 0 CCADLP C[C@@H](O)C[NH2+]C1CC2(CC(NC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000965590629 649934489 /nfs/dbraw/zinc/93/44/89/649934489.db2.gz VALHFWCDDVYZCZ-VQZBUAOQSA-N 2 2 292.383 0.350 20 0 CCADLP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000911833848 614181508 /nfs/dbraw/zinc/18/15/08/614181508.db2.gz SHERTBBPSVCWGX-BXUZGUMPSA-N 2 2 264.373 0.935 20 0 CCADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000876730148 613193429 /nfs/dbraw/zinc/19/34/29/613193429.db2.gz DLPFXQMSCFQIMU-ZUEAMBOYSA-N 2 2 262.357 0.800 20 0 CCADLP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923530649 613225931 /nfs/dbraw/zinc/22/59/31/613225931.db2.gz LQLBXQALTAOWCU-DZGCQCFKSA-N 3 2 265.401 0.583 20 0 CCADLP C([C@@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923530649 613225933 /nfs/dbraw/zinc/22/59/33/613225933.db2.gz LQLBXQALTAOWCU-DZGCQCFKSA-N 3 2 265.401 0.583 20 0 CCADLP C/C(=C\C(=O)NCC1([NH+](C)C)CCC1)C[NH+]1CCOCC1 ZINC000907610236 613255907 /nfs/dbraw/zinc/25/59/07/613255907.db2.gz ZNAJGKHKXJWIEV-SDNWHVSQSA-N 2 2 295.427 0.865 20 0 CCADLP CC(=O)N1CCN(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925546981 613415318 /nfs/dbraw/zinc/41/53/18/613415318.db2.gz MJKMNQMPASQDDI-CQSZACIVSA-N 2 2 280.416 0.025 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N1CC[NH+]2CC[C@H]1C2 ZINC000897877485 613929395 /nfs/dbraw/zinc/92/93/95/613929395.db2.gz WHIOEFZERCMPIP-NWDGAFQWSA-N 2 2 251.374 0.776 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)N1CC[NH+]2CC[C@H]1C2 ZINC000897877485 613929396 /nfs/dbraw/zinc/92/93/96/613929396.db2.gz WHIOEFZERCMPIP-NWDGAFQWSA-N 2 2 251.374 0.776 20 0 CCADLP CC(C)(C)[NH+]1CC[C@@H]1C(=O)N1CC[N@@H+]2CC[C@H]1C2 ZINC000897877485 613929397 /nfs/dbraw/zinc/92/93/97/613929397.db2.gz WHIOEFZERCMPIP-NWDGAFQWSA-N 2 2 251.374 0.776 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876523943 613948716 /nfs/dbraw/zinc/94/87/16/613948716.db2.gz HWULKMQOGIAFOB-HWKANZROSA-N 2 2 269.389 0.379 20 0 CCADLP CC(C)(C[NH2+][C@H]1CC[NH2+]C1(C)C)CS(C)(=O)=O ZINC000925830392 614115300 /nfs/dbraw/zinc/11/53/00/614115300.db2.gz CYZFXMZLTDVDPW-JTQLQIEISA-N 2 2 262.419 0.787 20 0 CCADLP CC(C)([NH3+])CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000925741273 614161140 /nfs/dbraw/zinc/16/11/40/614161140.db2.gz OJSWTBAULVMZOL-XQQFMLRXSA-N 3 2 255.406 0.861 20 0 CCADLP CC(C)C[C@@H]([NH3+])C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000870982598 614192625 /nfs/dbraw/zinc/19/26/25/614192625.db2.gz JCRBRFCSMYTBAI-OAHLLOKOSA-N 2 2 296.459 0.598 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000870982597 614217496 /nfs/dbraw/zinc/21/74/96/614217496.db2.gz JCRBRFCSMYTBAI-HNNXBMFYSA-N 2 2 296.459 0.598 20 0 CCADLP CC(C)C[C@H]1C[N@@H+](C)CCN1c1nc(N)[nH+]c(N)n1 ZINC000896651129 614227154 /nfs/dbraw/zinc/22/71/54/614227154.db2.gz QUHNKWXOXDSALF-VIFPVBQESA-N 2 2 265.365 0.203 20 0 CCADLP CC(C)=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000961886518 614320431 /nfs/dbraw/zinc/32/04/31/614320431.db2.gz IKOHMZSMHFDKIQ-NHAGDIPZSA-N 2 2 274.368 0.965 20 0 CCADLP CC(C)=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000961886518 614320434 /nfs/dbraw/zinc/32/04/34/614320434.db2.gz IKOHMZSMHFDKIQ-NHAGDIPZSA-N 2 2 274.368 0.965 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCO)C[C@@H]1C ZINC000822160461 614350395 /nfs/dbraw/zinc/35/03/95/614350395.db2.gz SNKUVLJJSMZUEU-KBPBESRZSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCO)C[C@@H]1C ZINC000822160461 614350396 /nfs/dbraw/zinc/35/03/96/614350396.db2.gz SNKUVLJJSMZUEU-KBPBESRZSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000822160461 614350397 /nfs/dbraw/zinc/35/03/97/614350397.db2.gz SNKUVLJJSMZUEU-KBPBESRZSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000822160461 614350398 /nfs/dbraw/zinc/35/03/98/614350398.db2.gz SNKUVLJJSMZUEU-KBPBESRZSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)N1CC[NH+](CCC(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000900590504 614360837 /nfs/dbraw/zinc/36/08/37/614360837.db2.gz OYGFYSYQQFWIAZ-OAHLLOKOSA-N 2 2 296.459 0.613 20 0 CCADLP CC(C)N1CC[NH+](CCC(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000900590504 614360838 /nfs/dbraw/zinc/36/08/38/614360838.db2.gz OYGFYSYQQFWIAZ-OAHLLOKOSA-N 2 2 296.459 0.613 20 0 CCADLP CC(C)N1CC[NH+](CCCC(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000928554589 614361872 /nfs/dbraw/zinc/36/18/72/614361872.db2.gz LAJLCNOUBWTYHP-OAHLLOKOSA-N 2 2 296.459 0.613 20 0 CCADLP CC(C)N1CC[NH+](CCCC(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000928554589 614361874 /nfs/dbraw/zinc/36/18/74/614361874.db2.gz LAJLCNOUBWTYHP-OAHLLOKOSA-N 2 2 296.459 0.613 20 0 CCADLP CCC(=O)CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000852708230 614445960 /nfs/dbraw/zinc/44/59/60/614445960.db2.gz UOINNYGUKUCUIH-AWEZNQCLSA-N 2 2 254.374 0.887 20 0 CCADLP CCC(=O)CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000852708230 614445962 /nfs/dbraw/zinc/44/59/62/614445962.db2.gz UOINNYGUKUCUIH-AWEZNQCLSA-N 2 2 254.374 0.887 20 0 CCADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898887411 614504967 /nfs/dbraw/zinc/50/49/67/614504967.db2.gz BRZJZTSBGFBKHH-MNOVXSKESA-N 2 2 282.388 0.736 20 0 CCADLP CCC(CC)(C[NH3+])NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876529675 614522886 /nfs/dbraw/zinc/52/28/86/614522886.db2.gz KAZNUVXUOIYCHP-AATRIKPKSA-N 2 2 269.389 0.509 20 0 CCADLP CCCn1cc([C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)nn1 ZINC000902795300 614539135 /nfs/dbraw/zinc/53/91/35/614539135.db2.gz CVOYXUQCDACNQB-UONOGXRCSA-N 2 2 294.447 0.975 20 0 CCADLP CCCn1cc([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)nn1 ZINC000902793280 614539492 /nfs/dbraw/zinc/53/94/92/614539492.db2.gz GTTHTQLSNJWQQH-KBPBESRZSA-N 2 2 294.447 0.975 20 0 CCADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1C[NH+](CCOC)C1 ZINC000949780075 614619911 /nfs/dbraw/zinc/61/99/11/614619911.db2.gz GTLPUJMEWILUHW-ZDUSSCGKSA-N 2 2 269.389 0.260 20 0 CCADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1C[NH+](CCOC)C1 ZINC000949780075 614619913 /nfs/dbraw/zinc/61/99/13/614619913.db2.gz GTLPUJMEWILUHW-ZDUSSCGKSA-N 2 2 269.389 0.260 20 0 CCADLP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@H]2C[NH+](C)CCO2)C1 ZINC000913506873 614666107 /nfs/dbraw/zinc/66/61/07/614666107.db2.gz IGYNNAJTXHZPDO-LSDHHAIUSA-N 2 2 297.443 0.897 20 0 CCADLP CCC[N@H+]1CCC[C@H](C(=O)N(C)C[C@H]2C[NH+](C)CCO2)C1 ZINC000913506873 614666108 /nfs/dbraw/zinc/66/61/08/614666108.db2.gz IGYNNAJTXHZPDO-LSDHHAIUSA-N 2 2 297.443 0.897 20 0 CCADLP CCC[NH+]1CCC[C@H](C(=O)N(C)C[C@H]2C[N@H+](C)CCO2)C1 ZINC000913506873 614666109 /nfs/dbraw/zinc/66/61/09/614666109.db2.gz IGYNNAJTXHZPDO-LSDHHAIUSA-N 2 2 297.443 0.897 20 0 CCADLP CCC[NH+]1CCC[C@H](C(=O)N(C)C[C@H]2C[N@@H+](C)CCO2)C1 ZINC000913506873 614666110 /nfs/dbraw/zinc/66/61/10/614666110.db2.gz IGYNNAJTXHZPDO-LSDHHAIUSA-N 2 2 297.443 0.897 20 0 CCADLP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH+](C)[C@H](CO)C2)C1 ZINC000913558263 614667292 /nfs/dbraw/zinc/66/72/92/614667292.db2.gz LTWBDBLEIWIIKD-KBPBESRZSA-N 2 2 283.416 0.243 20 0 CCADLP CCC[N@H+]1CCC[C@H](C(=O)N2CC[NH+](C)[C@H](CO)C2)C1 ZINC000913558263 614667294 /nfs/dbraw/zinc/66/72/94/614667294.db2.gz LTWBDBLEIWIIKD-KBPBESRZSA-N 2 2 283.416 0.243 20 0 CCADLP CCC[NH+]1CCC[C@H](C(=O)N2CC[N@H+](C)[C@H](CO)C2)C1 ZINC000913558263 614667296 /nfs/dbraw/zinc/66/72/96/614667296.db2.gz LTWBDBLEIWIIKD-KBPBESRZSA-N 2 2 283.416 0.243 20 0 CCADLP CCC[NH+]1CCC[C@H](C(=O)N2CC[N@@H+](C)[C@H](CO)C2)C1 ZINC000913558263 614667298 /nfs/dbraw/zinc/66/72/98/614667298.db2.gz LTWBDBLEIWIIKD-KBPBESRZSA-N 2 2 283.416 0.243 20 0 CCADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@H](O)[C@@H](C)O)CC1 ZINC000931329884 614706005 /nfs/dbraw/zinc/70/60/05/614706005.db2.gz YZQUPUDTPLRKHS-ZIAGYGMSSA-N 2 2 286.416 0.305 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CC1CC1 ZINC000884212190 614718786 /nfs/dbraw/zinc/71/87/86/614718786.db2.gz YINIFXJAJKGPIS-GFCCVEGCSA-N 2 2 269.389 0.341 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@H]([NH3+])CC1CC1 ZINC000884212190 614718788 /nfs/dbraw/zinc/71/87/88/614718788.db2.gz YINIFXJAJKGPIS-GFCCVEGCSA-N 2 2 269.389 0.341 20 0 CCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000925670408 614808607 /nfs/dbraw/zinc/80/86/07/614808607.db2.gz JTYPBLBPWSRPOH-NWDGAFQWSA-N 2 2 289.445 0.531 20 0 CCADLP CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000960653782 614832684 /nfs/dbraw/zinc/83/26/84/614832684.db2.gz DYZHRPKQWZANTR-RMRHIDDWSA-N 2 2 288.395 0.902 20 0 CCADLP CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000960653782 614832687 /nfs/dbraw/zinc/83/26/87/614832687.db2.gz DYZHRPKQWZANTR-RMRHIDDWSA-N 2 2 288.395 0.902 20 0 CCADLP CC1(C)[C@H](C(=O)NCCCn2cc[nH+]c2)C[C@@H]1[NH3+] ZINC000876708126 614848135 /nfs/dbraw/zinc/84/81/35/614848135.db2.gz XJAMRNBXPVYROX-QWRGUYRKSA-N 2 2 250.346 0.763 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(OC(C)=O)CC1 ZINC000846835593 614849669 /nfs/dbraw/zinc/84/96/69/614849669.db2.gz XPKKGWXGWBBWNJ-GFCCVEGCSA-N 2 2 258.362 0.327 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(OC(C)=O)CC1 ZINC000846835593 614849670 /nfs/dbraw/zinc/84/96/70/614849670.db2.gz XPKKGWXGWBBWNJ-GFCCVEGCSA-N 2 2 258.362 0.327 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC([C@@]2(C)COC(=O)N2)CC1 ZINC000932097576 614850118 /nfs/dbraw/zinc/85/01/18/614850118.db2.gz BNJRMJGKWKNATG-UKRRQHHQSA-N 2 2 299.415 0.510 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC([C@@]2(C)COC(=O)N2)CC1 ZINC000932097576 614850121 /nfs/dbraw/zinc/85/01/21/614850121.db2.gz BNJRMJGKWKNATG-UKRRQHHQSA-N 2 2 299.415 0.510 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000846803631 614867176 /nfs/dbraw/zinc/86/71/76/614867176.db2.gz DSLSAEMFABMDGG-GJZGRUSLSA-N 2 2 297.443 0.776 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000846803631 614867177 /nfs/dbraw/zinc/86/71/77/614867177.db2.gz DSLSAEMFABMDGG-GJZGRUSLSA-N 2 2 297.443 0.776 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000846803631 614867179 /nfs/dbraw/zinc/86/71/79/614867179.db2.gz DSLSAEMFABMDGG-GJZGRUSLSA-N 2 2 297.443 0.776 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000846803631 614867181 /nfs/dbraw/zinc/86/71/81/614867181.db2.gz DSLSAEMFABMDGG-GJZGRUSLSA-N 2 2 297.443 0.776 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000877434057 614886653 /nfs/dbraw/zinc/88/66/53/614886653.db2.gz MRKZFNDFFCXSRP-QWHCGFSZSA-N 2 2 271.405 0.602 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000877434057 614886655 /nfs/dbraw/zinc/88/66/55/614886655.db2.gz MRKZFNDFFCXSRP-QWHCGFSZSA-N 2 2 271.405 0.602 20 0 CCADLP CCCOC(=O)[C@@H](C)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000842475641 614930560 /nfs/dbraw/zinc/93/05/60/614930560.db2.gz XBCBJDJOJYJODQ-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP CCCOC(=O)[C@@H](C)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000842475641 614930562 /nfs/dbraw/zinc/93/05/62/614930562.db2.gz XBCBJDJOJYJODQ-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP CCCOC(=O)[C@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000843349361 614931555 /nfs/dbraw/zinc/93/15/55/614931555.db2.gz WOXPPEJTIUTWIS-LBPRGKRZSA-N 2 2 257.378 0.165 20 0 CCADLP CCCOC(=O)[C@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000843349361 614931556 /nfs/dbraw/zinc/93/15/56/614931556.db2.gz WOXPPEJTIUTWIS-LBPRGKRZSA-N 2 2 257.378 0.165 20 0 CCADLP CC[NH+](CC)CCOCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000907361082 614998043 /nfs/dbraw/zinc/99/80/43/614998043.db2.gz ZFAKMEWZFWZFPT-UHFFFAOYSA-N 2 2 268.361 0.427 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)[NH2+]C[C@H](O)c1ccccn1 ZINC000853111498 615000417 /nfs/dbraw/zinc/00/04/17/615000417.db2.gz WTFVMYORQAXZAP-ZFWWWQNUSA-N 2 2 281.400 0.797 20 0 CCADLP CCC[C@@](C)([NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1)C(=O)OC ZINC000923377005 615029333 /nfs/dbraw/zinc/02/93/33/615029333.db2.gz QGCDBKKKGUBWGC-WCQYABFASA-N 2 2 270.373 0.686 20 0 CCADLP CCN(OC)C(=O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000850339007 615076122 /nfs/dbraw/zinc/07/61/22/615076122.db2.gz NEQOJZIPSGSSLQ-UHFFFAOYSA-N 2 2 289.339 0.767 20 0 CCADLP CC[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000044291209 615079116 /nfs/dbraw/zinc/07/91/16/615079116.db2.gz YACVVJRSPPNQTC-UHFFFAOYSA-N 2 2 291.395 0.745 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CNC(=S)NCCn1cc[nH+]c1 ZINC000043563800 615146186 /nfs/dbraw/zinc/14/61/86/615146186.db2.gz TYSZRTRHTWJFFD-LBPRGKRZSA-N 2 2 281.429 0.832 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNC(=S)NCCn1cc[nH+]c1 ZINC000043563800 615146187 /nfs/dbraw/zinc/14/61/87/615146187.db2.gz TYSZRTRHTWJFFD-LBPRGKRZSA-N 2 2 281.429 0.832 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CCCF)CC1 ZINC000887137817 615150714 /nfs/dbraw/zinc/15/07/14/615150714.db2.gz UDEYHSIYDSLWNA-GFCCVEGCSA-N 2 2 259.369 0.830 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CCCF)CC1 ZINC000887137817 615150715 /nfs/dbraw/zinc/15/07/15/615150715.db2.gz UDEYHSIYDSLWNA-GFCCVEGCSA-N 2 2 259.369 0.830 20 0 CCADLP CCOCCOC[C@@H](O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925651003 615285260 /nfs/dbraw/zinc/28/52/60/615285260.db2.gz UTXQDSPGLKNQAN-STQMWFEESA-N 2 2 272.389 0.275 20 0 CCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000928578971 615286293 /nfs/dbraw/zinc/28/62/93/615286293.db2.gz OPGCTYONSMKXGE-OLZOCXBDSA-N 2 2 297.399 0.082 20 0 CCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000928578971 615286294 /nfs/dbraw/zinc/28/62/94/615286294.db2.gz OPGCTYONSMKXGE-OLZOCXBDSA-N 2 2 297.399 0.082 20 0 CCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@@H]2CC[N@@H+]2C)C1 ZINC000928578971 615286297 /nfs/dbraw/zinc/28/62/97/615286297.db2.gz OPGCTYONSMKXGE-OLZOCXBDSA-N 2 2 297.399 0.082 20 0 CCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000928578971 615286299 /nfs/dbraw/zinc/28/62/99/615286299.db2.gz OPGCTYONSMKXGE-OLZOCXBDSA-N 2 2 297.399 0.082 20 0 CCADLP CCOCC[C@H](O)C[N@@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000923411564 615300282 /nfs/dbraw/zinc/30/02/82/615300282.db2.gz NFCLMDGMMQOJBO-XQQFMLRXSA-N 2 2 260.378 0.212 20 0 CCADLP CCOCC[C@H](O)C[N@H+]1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000923411564 615300285 /nfs/dbraw/zinc/30/02/85/615300285.db2.gz NFCLMDGMMQOJBO-XQQFMLRXSA-N 2 2 260.378 0.212 20 0 CCADLP CCOC(=O)[C@@](C)(O)C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880474291 615328521 /nfs/dbraw/zinc/32/85/21/615328521.db2.gz XSYGDSCXVHOFGW-HNNXBMFYSA-N 2 2 284.400 0.861 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)C1(O)CCOCC1 ZINC000929814424 615328534 /nfs/dbraw/zinc/32/85/34/615328534.db2.gz OBWCRZGKSOJGAI-ILXRZTDVSA-N 2 2 298.427 0.447 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)C1(O)CCOCC1 ZINC000929814424 615328538 /nfs/dbraw/zinc/32/85/38/615328538.db2.gz OBWCRZGKSOJGAI-ILXRZTDVSA-N 2 2 298.427 0.447 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)C1(O)CCOCC1 ZINC000929814424 615328542 /nfs/dbraw/zinc/32/85/42/615328542.db2.gz OBWCRZGKSOJGAI-ILXRZTDVSA-N 2 2 298.427 0.447 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)C1(O)CCOCC1 ZINC000929814424 615328544 /nfs/dbraw/zinc/32/85/44/615328544.db2.gz OBWCRZGKSOJGAI-ILXRZTDVSA-N 2 2 298.427 0.447 20 0 CCADLP CCOC(=O)[C@@](C)(O)C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931353030 615328664 /nfs/dbraw/zinc/32/86/64/615328664.db2.gz ANQVNZYASQMKLA-AWEZNQCLSA-N 2 2 272.389 0.717 20 0 CCADLP CC[C@@H](C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000901142103 615383601 /nfs/dbraw/zinc/38/36/01/615383601.db2.gz ZWGWQYJQRZTUJE-SDDRHHMPSA-N 2 2 257.378 0.162 20 0 CCADLP CC[C@@H](C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000901142103 615383603 /nfs/dbraw/zinc/38/36/03/615383603.db2.gz ZWGWQYJQRZTUJE-SDDRHHMPSA-N 2 2 257.378 0.162 20 0 CCADLP CC[C@@H](C(=O)N[C@@H]1CCC[NH2+]C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911674766 615384211 /nfs/dbraw/zinc/38/42/11/615384211.db2.gz WACOCNQMLGIWMO-MCIONIFRSA-N 2 2 283.416 0.744 20 0 CCADLP CC[C@@H](C(=O)N[C@@H]1CCC[NH2+]C1)[N@H+]1CCO[C@H](CC)C1 ZINC000911674766 615384213 /nfs/dbraw/zinc/38/42/13/615384213.db2.gz WACOCNQMLGIWMO-MCIONIFRSA-N 2 2 283.416 0.744 20 0 CCADLP CCO[C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C[NH+](C)C ZINC000831719329 615408634 /nfs/dbraw/zinc/40/86/34/615408634.db2.gz RDRAQXAQNMUDCG-JSGCOSHPSA-N 2 2 294.399 0.528 20 0 CCADLP CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC000978363721 615432857 /nfs/dbraw/zinc/43/28/57/615432857.db2.gz QRHQAQMDQSVHFR-CYUUQNCZSA-N 2 2 288.395 0.759 20 0 CCADLP CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC000978363721 615432858 /nfs/dbraw/zinc/43/28/58/615432858.db2.gz QRHQAQMDQSVHFR-CYUUQNCZSA-N 2 2 288.395 0.759 20 0 CCADLP CCO[C@@H]1[C@H](C)[C@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000912386915 615459036 /nfs/dbraw/zinc/45/90/36/615459036.db2.gz KMVNXFWTXSURFA-MGPQQGTHSA-N 2 2 285.432 0.657 20 0 CCADLP CCO[C@@H]1[C@H](C)[C@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000912386915 615459038 /nfs/dbraw/zinc/45/90/38/615459038.db2.gz KMVNXFWTXSURFA-MGPQQGTHSA-N 2 2 285.432 0.657 20 0 CCADLP CCO[C@H](C[N@@H+]1CCC[C@@H]([NH2+]CCO)C1)C1CC1 ZINC000923410085 615480212 /nfs/dbraw/zinc/48/02/12/615480212.db2.gz WRPFJMOLTHXKGZ-ZIAGYGMSSA-N 2 2 256.390 0.848 20 0 CCADLP CCO[C@H](C[N@H+]1CCC[C@@H]([NH2+]CCO)C1)C1CC1 ZINC000923410085 615480213 /nfs/dbraw/zinc/48/02/13/615480213.db2.gz WRPFJMOLTHXKGZ-ZIAGYGMSSA-N 2 2 256.390 0.848 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000877432436 615568221 /nfs/dbraw/zinc/56/82/21/615568221.db2.gz DKNXSGQGSQBQLI-MCIONIFRSA-N 2 2 285.432 0.833 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000877432436 615568222 /nfs/dbraw/zinc/56/82/22/615568222.db2.gz DKNXSGQGSQBQLI-MCIONIFRSA-N 2 2 285.432 0.833 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000877433781 615568404 /nfs/dbraw/zinc/56/84/04/615568404.db2.gz JBLNOZJHEIAUGE-MCIONIFRSA-N 2 2 283.416 0.602 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000877433781 615568405 /nfs/dbraw/zinc/56/84/05/615568405.db2.gz JBLNOZJHEIAUGE-MCIONIFRSA-N 2 2 283.416 0.602 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000877433736 615568568 /nfs/dbraw/zinc/56/85/68/615568568.db2.gz IBDIKJBGNZNVIO-IJLUTSLNSA-N 2 2 257.378 0.197 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000877433736 615568569 /nfs/dbraw/zinc/56/85/69/615568569.db2.gz IBDIKJBGNZNVIO-IJLUTSLNSA-N 2 2 257.378 0.197 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000877433782 615568604 /nfs/dbraw/zinc/56/86/04/615568604.db2.gz JBLNOZJHEIAUGE-MGPQQGTHSA-N 2 2 283.416 0.602 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000877433782 615568605 /nfs/dbraw/zinc/56/86/05/615568605.db2.gz JBLNOZJHEIAUGE-MGPQQGTHSA-N 2 2 283.416 0.602 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000877432386 615568729 /nfs/dbraw/zinc/56/87/29/615568729.db2.gz COXJVVICAWAGCZ-YNEHKIRRSA-N 2 2 287.379 0.161 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000877432386 615568730 /nfs/dbraw/zinc/56/87/30/615568730.db2.gz COXJVVICAWAGCZ-YNEHKIRRSA-N 2 2 287.379 0.161 20 0 CCADLP CC[C@H](C)NC(=O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879591369 615674363 /nfs/dbraw/zinc/67/43/63/615674363.db2.gz VBMCGJXBGBBXID-AWEZNQCLSA-N 2 2 296.459 0.613 20 0 CCADLP CC[C@H](CO)Nc1cc(NC[C@@H]2CC[N@@H+]2C)nc[nH+]1 ZINC000895767638 615739397 /nfs/dbraw/zinc/73/93/97/615739397.db2.gz PCFDGOXOSZSBSL-MNOVXSKESA-N 2 2 265.361 0.775 20 0 CCADLP CC[C@H](CO)Nc1cc(NC[C@@H]2CC[N@H+]2C)nc[nH+]1 ZINC000895767638 615739399 /nfs/dbraw/zinc/73/93/99/615739399.db2.gz PCFDGOXOSZSBSL-MNOVXSKESA-N 2 2 265.361 0.775 20 0 CCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[N@@H+](C)[C@H](CO)C1 ZINC000913540893 615777814 /nfs/dbraw/zinc/77/78/14/615777814.db2.gz AKERJIMYTQTHPK-STQMWFEESA-N 2 2 294.399 0.532 20 0 CCADLP C[NH+](C)CC(C)(C)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000868827599 615868474 /nfs/dbraw/zinc/86/84/74/615868474.db2.gz ZIMOWWJERRVYHJ-AATRIKPKSA-N 2 2 269.389 0.331 20 0 CCADLP C[NH+](C)CC1(C(=O)N2CC[N@H+](C)C[C@@H]2CO)CCCCC1 ZINC000912740434 615869517 /nfs/dbraw/zinc/86/95/17/615869517.db2.gz XGWYDMDHKOSOEJ-CQSZACIVSA-N 2 2 297.443 0.633 20 0 CCADLP C[NH+](C)CC1(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)CCCCC1 ZINC000912740434 615869519 /nfs/dbraw/zinc/86/95/19/615869519.db2.gz XGWYDMDHKOSOEJ-CQSZACIVSA-N 2 2 297.443 0.633 20 0 CCADLP C[NH+](C)CC1(O)CC[NH+](Cc2cn(C(C)(C)C)nn2)CC1 ZINC000931480877 615872652 /nfs/dbraw/zinc/87/26/52/615872652.db2.gz LHQIEWAZMJJDNA-UHFFFAOYSA-N 2 2 295.431 0.922 20 0 CCADLP C[NH+](C)CCCCC(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913447541 615876315 /nfs/dbraw/zinc/87/63/15/615876315.db2.gz MMMKAQARYQGOPE-ZDUSSCGKSA-N 2 2 279.388 0.615 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC1=O ZINC000878802242 615899420 /nfs/dbraw/zinc/89/94/20/615899420.db2.gz CDJNXGZWDPXKRD-SOUVJXGZSA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC1=O ZINC000878802242 615899423 /nfs/dbraw/zinc/89/94/23/615899423.db2.gz CDJNXGZWDPXKRD-SOUVJXGZSA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+](C)CCONC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000823254800 615907702 /nfs/dbraw/zinc/90/77/02/615907702.db2.gz DGRSCCHTMXSRCB-SECBINFHSA-N 2 2 294.277 0.986 20 0 CCADLP CC[C@H](C(=O)NCC[NH2+]C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000911749221 615917732 /nfs/dbraw/zinc/91/77/32/615917732.db2.gz YVICNYLFGGTQJN-NWDGAFQWSA-N 2 2 257.378 0.211 20 0 CCADLP CC[C@H](C(=O)NCC[NH2+]C)[N@H+]1CCO[C@@H](CC)C1 ZINC000911749221 615917735 /nfs/dbraw/zinc/91/77/35/615917735.db2.gz YVICNYLFGGTQJN-NWDGAFQWSA-N 2 2 257.378 0.211 20 0 CCADLP C[NH+](C)CCn1nccc1C(=O)NCCCn1cc[nH+]c1 ZINC000899920886 615920887 /nfs/dbraw/zinc/92/08/87/615920887.db2.gz NXFHJIHZHRDRQG-UHFFFAOYSA-N 2 2 290.371 0.461 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C[NH+](CC)CC ZINC000874702180 615923380 /nfs/dbraw/zinc/92/33/80/615923380.db2.gz CPVXEOMDHVRASJ-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C[NH+](CC)CC ZINC000874702180 615923381 /nfs/dbraw/zinc/92/33/81/615923381.db2.gz CPVXEOMDHVRASJ-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000877434529 615927188 /nfs/dbraw/zinc/92/71/88/615927188.db2.gz RUDSIGSZOIQOFW-MJBXVCDLSA-N 2 2 283.416 0.731 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000877434529 615927190 /nfs/dbraw/zinc/92/71/90/615927190.db2.gz RUDSIGSZOIQOFW-MJBXVCDLSA-N 2 2 283.416 0.731 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=S)NCC[NH+](C)C ZINC000871688534 615929113 /nfs/dbraw/zinc/92/91/13/615929113.db2.gz MQBDEUCWQVJXIR-LBPRGKRZSA-N 2 2 288.461 0.123 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=S)NCC[NH+](C)C ZINC000871688534 615929117 /nfs/dbraw/zinc/92/91/17/615929117.db2.gz MQBDEUCWQVJXIR-LBPRGKRZSA-N 2 2 288.461 0.123 20 0 CCADLP C[NH+](C)Cc1csc(CN[C@H]2C[NH2+]CCOC2)n1 ZINC000925807843 615958770 /nfs/dbraw/zinc/95/87/70/615958770.db2.gz DOIOFVCNXXMVGA-JTQLQIEISA-N 2 2 270.402 0.283 20 0 CCADLP CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903854115 615962710 /nfs/dbraw/zinc/96/27/10/615962710.db2.gz IBBZNIXGFMKKRZ-NWDGAFQWSA-N 2 2 275.418 0.081 20 0 CCADLP CN(C)S(=O)(=O)CCC[N@H+]1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903854115 615962712 /nfs/dbraw/zinc/96/27/12/615962712.db2.gz IBBZNIXGFMKKRZ-NWDGAFQWSA-N 2 2 275.418 0.081 20 0 CCADLP C[NH+](C)[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1(C)C ZINC000864063344 615995951 /nfs/dbraw/zinc/99/59/51/615995951.db2.gz JPSYBNWYGDOPOG-QWRGUYRKSA-N 2 2 250.346 0.797 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCN(C(C)(C)C)C3=O)C[C@H]21 ZINC000931281414 615998793 /nfs/dbraw/zinc/99/87/93/615998793.db2.gz RZRQOVFRECONGU-XQHKEYJVSA-N 2 2 265.401 0.878 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(C(C)(C)C)C3=O)C[C@H]21 ZINC000931281414 615998794 /nfs/dbraw/zinc/99/87/94/615998794.db2.gz RZRQOVFRECONGU-XQHKEYJVSA-N 2 2 265.401 0.878 20 0 CCADLP CN(C)c1cc(Cn2cc(C[C@@H]3CC[NH2+]C3)nn2)cc[nH+]1 ZINC000881365999 616006180 /nfs/dbraw/zinc/00/61/80/616006180.db2.gz RLWMNDLIDUTGSG-LBPRGKRZSA-N 2 2 286.383 0.939 20 0 CCADLP CN(C)c1cc[nH+]c(N2CCN(c3[nH]cc[nH+]3)CC2)n1 ZINC000811839905 616028509 /nfs/dbraw/zinc/02/85/09/616028509.db2.gz HUDCNCITMUEBQW-UHFFFAOYSA-N 2 2 273.344 0.592 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21 ZINC000962315147 616030511 /nfs/dbraw/zinc/03/05/11/616030511.db2.gz YJRULDYLBOCIMP-IMRBUKKESA-N 2 2 292.358 0.777 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC000962315147 616030514 /nfs/dbraw/zinc/03/05/14/616030514.db2.gz YJRULDYLBOCIMP-IMRBUKKESA-N 2 2 292.358 0.777 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=[NH2+])NC[C@H]2CCCS2)n1C ZINC000905041190 616035728 /nfs/dbraw/zinc/03/57/28/616035728.db2.gz FPDVOORDQCYQKP-LLVKDONJSA-N 2 2 296.444 0.996 20 0 CCADLP C[N@@H+](CC(=O)N[C@H]1CCc2c[nH+]cn2C1)C1CCC1 ZINC000863916332 616049187 /nfs/dbraw/zinc/04/91/87/616049187.db2.gz YSHOIHIEJMNSSC-NSHDSACASA-N 2 2 262.357 0.798 20 0 CCADLP CN(CC1([NH+](C)C)CCC1)C(=O)Cc1[nH]cc[nH+]1 ZINC000816972297 616056794 /nfs/dbraw/zinc/05/67/94/616056794.db2.gz HERRUNVMJHYXOF-UHFFFAOYSA-N 2 2 250.346 0.895 20 0 CCADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000799126041 616059558 /nfs/dbraw/zinc/05/95/58/616059558.db2.gz YFGYNKRKDBIUHF-QWHCGFSZSA-N 2 2 279.384 0.455 20 0 CCADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000799126041 616059559 /nfs/dbraw/zinc/05/95/59/616059559.db2.gz YFGYNKRKDBIUHF-QWHCGFSZSA-N 2 2 279.384 0.455 20 0 CCADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000799126041 616059560 /nfs/dbraw/zinc/05/95/60/616059560.db2.gz YFGYNKRKDBIUHF-QWHCGFSZSA-N 2 2 279.384 0.455 20 0 CCADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000799126041 616059561 /nfs/dbraw/zinc/05/95/61/616059561.db2.gz YFGYNKRKDBIUHF-QWHCGFSZSA-N 2 2 279.384 0.455 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000831405854 616076565 /nfs/dbraw/zinc/07/65/65/616076565.db2.gz CDQFWBJJVJBFCN-LBPRGKRZSA-N 2 2 254.309 0.433 20 0 CCADLP CN(CCCn1cc[nH+]c1)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923630894 616076718 /nfs/dbraw/zinc/07/67/18/616076718.db2.gz NIOSMKGYPTZZAI-LBPRGKRZSA-N 2 2 286.401 0.287 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903764259 616076730 /nfs/dbraw/zinc/07/67/30/616076730.db2.gz QNVJKDJLWLTLEJ-HUUCEWRRSA-N 3 2 278.400 0.974 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903764259 616076731 /nfs/dbraw/zinc/07/67/31/616076731.db2.gz QNVJKDJLWLTLEJ-HUUCEWRRSA-N 3 2 278.400 0.974 20 0 CCADLP C[N@H+](CCF)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000972039523 616080256 /nfs/dbraw/zinc/08/02/56/616080256.db2.gz IMUXZNSUFIQANL-LBPRGKRZSA-N 2 2 268.336 0.775 20 0 CCADLP C[N@@H+](CCF)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000972039523 616080257 /nfs/dbraw/zinc/08/02/57/616080257.db2.gz IMUXZNSUFIQANL-LBPRGKRZSA-N 2 2 268.336 0.775 20 0 CCADLP C[N@H+](CCc1nnn(C(C)(C)C)n1)C1(C[NH3+])CCOCC1 ZINC000903809619 616127373 /nfs/dbraw/zinc/12/73/73/616127373.db2.gz HSDARLSUJSUJMU-UHFFFAOYSA-N 2 2 296.419 0.410 20 0 CCADLP C[N@@H+](CCc1nnn(C(C)(C)C)n1)C1(C[NH3+])CCOCC1 ZINC000903809619 616127374 /nfs/dbraw/zinc/12/73/74/616127374.db2.gz HSDARLSUJSUJMU-UHFFFAOYSA-N 2 2 296.419 0.410 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]C[C@H](O)c1ccccn1)C1CC1 ZINC000843096765 616149752 /nfs/dbraw/zinc/14/97/52/616149752.db2.gz UVTDPYMKBUMNMY-OCCSQVGLSA-N 2 2 265.357 0.160 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@H](O)c1ccccn1)C1CC1 ZINC000843096765 616149753 /nfs/dbraw/zinc/14/97/53/616149753.db2.gz UVTDPYMKBUMNMY-OCCSQVGLSA-N 2 2 265.357 0.160 20 0 CCADLP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)o1)C1CC[NH2+]CC1 ZINC000904299494 616167286 /nfs/dbraw/zinc/16/72/86/616167286.db2.gz FXMQFSRGJVOXKH-UHFFFAOYSA-N 3 2 278.400 0.873 20 0 CCADLP C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)o1)C1CC[NH2+]CC1 ZINC000904299494 616167287 /nfs/dbraw/zinc/16/72/87/616167287.db2.gz FXMQFSRGJVOXKH-UHFFFAOYSA-N 3 2 278.400 0.873 20 0 CCADLP C[NH+]1CCC(CCNC(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000865084798 616168537 /nfs/dbraw/zinc/16/85/37/616168537.db2.gz GRCJBWAMVDPXJU-NSCUHMNNSA-N 2 2 295.427 0.723 20 0 CCADLP C[NH+]1CCC(N(CCO)C(=O)CCn2cc[nH+]c2)CC1 ZINC000911937350 616171257 /nfs/dbraw/zinc/17/12/57/616171257.db2.gz UHWDWTMCKNAXTN-UHFFFAOYSA-N 2 2 280.372 0.188 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CC3(C)COC3)C2)CC1 ZINC000932621086 616172217 /nfs/dbraw/zinc/17/22/17/616172217.db2.gz GHJRTYPZDQBLSC-CYBMUJFWSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CC3(C)COC3)C2)CC1 ZINC000932621086 616172219 /nfs/dbraw/zinc/17/22/19/616172219.db2.gz GHJRTYPZDQBLSC-CYBMUJFWSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NCCn1cc[nH+]c1 ZINC000891558688 616200187 /nfs/dbraw/zinc/20/01/87/616200187.db2.gz VPYHKFPFCDLZIY-CHWSQXEVSA-N 2 2 277.372 0.761 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NCCn1cc[nH+]c1 ZINC000891558688 616200188 /nfs/dbraw/zinc/20/01/88/616200188.db2.gz VPYHKFPFCDLZIY-CHWSQXEVSA-N 2 2 277.372 0.761 20 0 CCADLP C[N@@H+]1CCC[C@@]2(CC[NH+]([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC000815144198 616203087 /nfs/dbraw/zinc/20/30/87/616203087.db2.gz CLEPOYCOUSUZAY-BXUZGUMPSA-N 2 2 265.357 0.209 20 0 CCADLP C[N@H+]1CCC[C@@]2(CC[NH+]([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC000815144198 616203088 /nfs/dbraw/zinc/20/30/88/616203088.db2.gz CLEPOYCOUSUZAY-BXUZGUMPSA-N 2 2 265.357 0.209 20 0 CCADLP C[NH+]1CCC[C@@]2(CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC000815144198 616203089 /nfs/dbraw/zinc/20/30/89/616203089.db2.gz CLEPOYCOUSUZAY-BXUZGUMPSA-N 2 2 265.357 0.209 20 0 CCADLP C[NH+]1CCC[C@@]2(CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC000815144198 616203090 /nfs/dbraw/zinc/20/30/90/616203090.db2.gz CLEPOYCOUSUZAY-BXUZGUMPSA-N 2 2 265.357 0.209 20 0 CCADLP CN(C(=O)NCCc1cn(C)c[nH+]1)[C@H]1CCC[N@H+](C)C1 ZINC000895291961 616205574 /nfs/dbraw/zinc/20/55/74/616205574.db2.gz PTWKIMVESYEZRN-ZDUSSCGKSA-N 2 2 279.388 0.698 20 0 CCADLP CN(C(=O)NCCc1cn(C)c[nH+]1)[C@H]1CCC[N@@H+](C)C1 ZINC000895291961 616205575 /nfs/dbraw/zinc/20/55/75/616205575.db2.gz PTWKIMVESYEZRN-ZDUSSCGKSA-N 2 2 279.388 0.698 20 0 CCADLP CN1CCC[C@H]([N@@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)C1=O ZINC000872148375 616206732 /nfs/dbraw/zinc/20/67/32/616206732.db2.gz DDIZSJYFXOCGOD-AEJSXWLSSA-N 2 2 279.306 0.676 20 0 CCADLP CN1CCC[C@H]([N@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)C1=O ZINC000872148375 616206733 /nfs/dbraw/zinc/20/67/33/616206733.db2.gz DDIZSJYFXOCGOD-AEJSXWLSSA-N 2 2 279.306 0.676 20 0 CCADLP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925490205 616222527 /nfs/dbraw/zinc/22/25/27/616222527.db2.gz MBSHHDKPJFMEHP-QWHCGFSZSA-N 3 2 280.416 0.010 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCOC23CCCCC3)CC1 ZINC000924840488 616223603 /nfs/dbraw/zinc/22/36/03/616223603.db2.gz WNYGNKRWCXQUPL-CQSZACIVSA-N 2 2 295.427 0.842 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)CC1 ZINC000924840871 616223679 /nfs/dbraw/zinc/22/36/79/616223679.db2.gz XRBWJOCGTYWGJG-GDBMZVCRSA-N 2 2 295.427 0.555 20 0 CCADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[NH+](C)[C@H](C(C)(C)C)C1 ZINC000912026470 616229122 /nfs/dbraw/zinc/22/91/22/616229122.db2.gz IFBNBUUWBGHMLJ-XEZPLFJOSA-N 2 2 297.443 0.630 20 0 CCADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[NH+](C)[C@H](C(C)(C)C)C1 ZINC000912026470 616229123 /nfs/dbraw/zinc/22/91/23/616229123.db2.gz IFBNBUUWBGHMLJ-XEZPLFJOSA-N 2 2 297.443 0.630 20 0 CCADLP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[N@H+](C)[C@H](C(C)(C)C)C1 ZINC000912026470 616229124 /nfs/dbraw/zinc/22/91/24/616229124.db2.gz IFBNBUUWBGHMLJ-XEZPLFJOSA-N 2 2 297.443 0.630 20 0 CCADLP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[N@@H+](C)[C@H](C(C)(C)C)C1 ZINC000912026470 616229125 /nfs/dbraw/zinc/22/91/25/616229125.db2.gz IFBNBUUWBGHMLJ-XEZPLFJOSA-N 2 2 297.443 0.630 20 0 CCADLP CN1CCN(C(=O)CCCn2cc[nH+]c2)CC[N@H+](C)CC1 ZINC000888990811 616235135 /nfs/dbraw/zinc/23/51/35/616235135.db2.gz FJWQZZNSWSXFTF-UHFFFAOYSA-N 2 2 293.415 0.369 20 0 CCADLP CN1CCN(C(=O)CCCn2cc[nH+]c2)CC[N@@H+](C)CC1 ZINC000888990811 616235136 /nfs/dbraw/zinc/23/51/36/616235136.db2.gz FJWQZZNSWSXFTF-UHFFFAOYSA-N 2 2 293.415 0.369 20 0 CCADLP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925517130 616241142 /nfs/dbraw/zinc/24/11/42/616241142.db2.gz FRVCDEMAFHWSKE-OAHLLOKOSA-N 3 2 280.460 0.888 20 0 CCADLP C[NH+]1CCN(CCC[NH2+][C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925519318 616241364 /nfs/dbraw/zinc/24/13/64/616241364.db2.gz MFBYQCSJMAJZOJ-ZDUSSCGKSA-N 3 2 254.422 0.354 20 0 CCADLP CN1CCOC[C@]1(CO)C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926891697 616250638 /nfs/dbraw/zinc/25/06/38/616250638.db2.gz IZQWNHLOUALKKI-OWCLPIDISA-N 2 2 297.443 0.286 20 0 CCADLP CN1CCOC[C@]1(CO)C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926891697 616250639 /nfs/dbraw/zinc/25/06/39/616250639.db2.gz IZQWNHLOUALKKI-OWCLPIDISA-N 2 2 297.443 0.286 20 0 CCADLP C[NH+]1CCC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000874838625 616258371 /nfs/dbraw/zinc/25/83/71/616258371.db2.gz QGEOFTHKYBUZKL-AVGNSLFASA-N 2 2 267.373 0.012 20 0 CCADLP C[NH+]1CCC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000874838625 616258372 /nfs/dbraw/zinc/25/83/72/616258372.db2.gz QGEOFTHKYBUZKL-AVGNSLFASA-N 2 2 267.373 0.012 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)C1 ZINC000874838625 616258373 /nfs/dbraw/zinc/25/83/73/616258373.db2.gz QGEOFTHKYBUZKL-AVGNSLFASA-N 2 2 267.373 0.012 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)C1 ZINC000874838625 616258374 /nfs/dbraw/zinc/25/83/74/616258374.db2.gz QGEOFTHKYBUZKL-AVGNSLFASA-N 2 2 267.373 0.012 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC[C@@H]21 ZINC000827246343 616323790 /nfs/dbraw/zinc/32/37/90/616323790.db2.gz QCTOIKBUAGAZMC-MCIONIFRSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC[C@@H]21 ZINC000827246343 616323795 /nfs/dbraw/zinc/32/37/95/616323795.db2.gz QCTOIKBUAGAZMC-MCIONIFRSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000866777140 616343163 /nfs/dbraw/zinc/34/31/63/616343163.db2.gz PKYCHEUFCXQXSP-UHTWSYAYSA-N 2 2 278.356 0.386 20 0 CCADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000866777140 616343165 /nfs/dbraw/zinc/34/31/65/616343165.db2.gz PKYCHEUFCXQXSP-UHTWSYAYSA-N 2 2 278.356 0.386 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903154788 616350272 /nfs/dbraw/zinc/35/02/72/616350272.db2.gz WRUPTCVZUOONRH-YPAMNDHTSA-N 3 2 279.428 0.800 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C2CC2)C1 ZINC000903154788 616350276 /nfs/dbraw/zinc/35/02/76/616350276.db2.gz WRUPTCVZUOONRH-YPAMNDHTSA-N 3 2 279.428 0.800 20 0 CCADLP C[NH+]1CC[C@@](O)(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903154788 616350279 /nfs/dbraw/zinc/35/02/79/616350279.db2.gz WRUPTCVZUOONRH-YPAMNDHTSA-N 3 2 279.428 0.800 20 0 CCADLP C[NH+]1CC[C@@](O)(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)C1 ZINC000903154788 616350284 /nfs/dbraw/zinc/35/02/84/616350284.db2.gz WRUPTCVZUOONRH-YPAMNDHTSA-N 3 2 279.428 0.800 20 0 CCADLP COC/C=C/C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000865727705 616391578 /nfs/dbraw/zinc/39/15/78/616391578.db2.gz FUIFHZPVXWZVDK-RGDDUWESSA-N 2 2 295.427 0.816 20 0 CCADLP COC/C=C/C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000865727705 616391582 /nfs/dbraw/zinc/39/15/82/616391582.db2.gz FUIFHZPVXWZVDK-RGDDUWESSA-N 2 2 295.427 0.816 20 0 CCADLP Cn1cc(CC[NH+]2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)nn1 ZINC000931318994 616394948 /nfs/dbraw/zinc/39/49/48/616394948.db2.gz WRYBEZYWUKPSOR-KBPBESRZSA-N 2 2 263.389 0.631 20 0 CCADLP CN1CC(=O)N(CC[N@@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)C1=O ZINC000931316207 616395914 /nfs/dbraw/zinc/39/59/14/616395914.db2.gz HKMBYXKOWHHREC-GASCZTMLSA-N 2 2 294.399 0.154 20 0 CCADLP CN1CC(=O)N(CC[N@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)C1=O ZINC000931316207 616395918 /nfs/dbraw/zinc/39/59/18/616395918.db2.gz HKMBYXKOWHHREC-GASCZTMLSA-N 2 2 294.399 0.154 20 0 CCADLP CN1CC(=O)N(CC[NH+]2C[C@@]3(C)C[N@H+](C)C[C@@]3(C)C2)C1=O ZINC000931316207 616395921 /nfs/dbraw/zinc/39/59/21/616395921.db2.gz HKMBYXKOWHHREC-GASCZTMLSA-N 2 2 294.399 0.154 20 0 CCADLP CN1CC(=O)N(CC[NH+]2C[C@@]3(C)C[N@@H+](C)C[C@@]3(C)C2)C1=O ZINC000931316207 616395924 /nfs/dbraw/zinc/39/59/24/616395924.db2.gz HKMBYXKOWHHREC-GASCZTMLSA-N 2 2 294.399 0.154 20 0 CCADLP C[N@@H+]1C[C@]2(C)C[NH+](C[C@H](O)C3(O)CCOCC3)C[C@]2(C)C1 ZINC000931316702 616397734 /nfs/dbraw/zinc/39/77/34/616397734.db2.gz JPOATTUWNWAFRL-SOUVJXGZSA-N 2 2 298.427 0.162 20 0 CCADLP C[N@H+]1C[C@]2(C)C[NH+](C[C@H](O)C3(O)CCOCC3)C[C@]2(C)C1 ZINC000931316702 616397737 /nfs/dbraw/zinc/39/77/37/616397737.db2.gz JPOATTUWNWAFRL-SOUVJXGZSA-N 2 2 298.427 0.162 20 0 CCADLP C[NH+]1C[C@]2(C)C[N@H+](C[C@H](O)C3(O)CCOCC3)C[C@]2(C)C1 ZINC000931316702 616397741 /nfs/dbraw/zinc/39/77/41/616397741.db2.gz JPOATTUWNWAFRL-SOUVJXGZSA-N 2 2 298.427 0.162 20 0 CCADLP C[NH+]1C[C@]2(C)C[N@@H+](C[C@H](O)C3(O)CCOCC3)C[C@]2(C)C1 ZINC000931316702 616397745 /nfs/dbraw/zinc/39/77/45/616397745.db2.gz JPOATTUWNWAFRL-SOUVJXGZSA-N 2 2 298.427 0.162 20 0 CCADLP COC(=O)C1=C(C)O[C@H](C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1 ZINC000931278544 616407064 /nfs/dbraw/zinc/40/70/64/616407064.db2.gz FHHNGMWBRJREKC-SCUASFONSA-N 2 2 280.368 0.714 20 0 CCADLP COC(=O)C1=C(C)O[C@H](C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1 ZINC000931278544 616407068 /nfs/dbraw/zinc/40/70/68/616407068.db2.gz FHHNGMWBRJREKC-SCUASFONSA-N 2 2 280.368 0.714 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)C1CC1 ZINC000931436748 616444418 /nfs/dbraw/zinc/44/44/18/616444418.db2.gz LFMYUZBDFBVSEQ-GZBFAFLISA-N 3 2 267.417 0.325 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)C1CC1 ZINC000931436748 616444421 /nfs/dbraw/zinc/44/44/21/616444421.db2.gz LFMYUZBDFBVSEQ-GZBFAFLISA-N 3 2 267.417 0.325 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)C1CC1 ZINC000931436748 616444423 /nfs/dbraw/zinc/44/44/23/616444423.db2.gz LFMYUZBDFBVSEQ-GZBFAFLISA-N 3 2 267.417 0.325 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)C1CC1 ZINC000931436748 616444425 /nfs/dbraw/zinc/44/44/25/616444425.db2.gz LFMYUZBDFBVSEQ-GZBFAFLISA-N 3 2 267.417 0.325 20 0 CCADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2CN2C[C@@H]3C[C@@H]3C2=O)C1 ZINC000902193561 616449096 /nfs/dbraw/zinc/44/90/96/616449096.db2.gz BVURVAPANXTXEI-XUXIUFHCSA-N 2 2 263.385 0.838 20 0 CCADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2CN2C[C@@H]3C[C@@H]3C2=O)C1 ZINC000902193561 616449097 /nfs/dbraw/zinc/44/90/97/616449097.db2.gz BVURVAPANXTXEI-XUXIUFHCSA-N 2 2 263.385 0.838 20 0 CCADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2CN2C[C@@H]3C[C@@H]3C2=O)C1 ZINC000902193561 616449101 /nfs/dbraw/zinc/44/91/01/616449101.db2.gz BVURVAPANXTXEI-XUXIUFHCSA-N 2 2 263.385 0.838 20 0 CCADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2CN2C[C@@H]3C[C@@H]3C2=O)C1 ZINC000902193561 616449105 /nfs/dbraw/zinc/44/91/05/616449105.db2.gz BVURVAPANXTXEI-XUXIUFHCSA-N 2 2 263.385 0.838 20 0 CCADLP COCC[N@H+]1[C@H](C)CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC000862098114 616476647 /nfs/dbraw/zinc/47/66/47/616476647.db2.gz GYCCNVYEICHOQG-OKILXGFUSA-N 2 2 294.399 0.759 20 0 CCADLP COCC[N@@H+]1[C@H](C)CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC000862098114 616476649 /nfs/dbraw/zinc/47/66/49/616476649.db2.gz GYCCNVYEICHOQG-OKILXGFUSA-N 2 2 294.399 0.759 20 0 CCADLP COC(=O)[C@@H]1[C@@H](C[NH2+]C[C@H]2CCC[N@@H+]2C)C1(F)F ZINC000894206761 616505544 /nfs/dbraw/zinc/50/55/44/616505544.db2.gz LKYIOJMOHSEGLC-BBBLOLIVSA-N 2 2 262.300 0.725 20 0 CCADLP COC(=O)[C@@H]1[C@@H](C[NH2+]C[C@H]2CCC[N@H+]2C)C1(F)F ZINC000894206761 616505549 /nfs/dbraw/zinc/50/55/49/616505549.db2.gz LKYIOJMOHSEGLC-BBBLOLIVSA-N 2 2 262.300 0.725 20 0 CCADLP COC(=O)[C@@H]1[C@H](C[N@@H+]2CC[C@H](C[NH+](C)C)C2)C1(F)F ZINC000894020334 616510820 /nfs/dbraw/zinc/51/08/20/616510820.db2.gz IXCJRXHGAZONLE-VWYCJHECSA-N 2 2 276.327 0.924 20 0 CCADLP COC(=O)[C@@H]1[C@H](C[N@H+]2CC[C@H](C[NH+](C)C)C2)C1(F)F ZINC000894020334 616510823 /nfs/dbraw/zinc/51/08/23/616510823.db2.gz IXCJRXHGAZONLE-VWYCJHECSA-N 2 2 276.327 0.924 20 0 CCADLP CN(C)c1cc[nH+]c(N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)n1 ZINC000896914338 616512337 /nfs/dbraw/zinc/51/23/37/616512337.db2.gz AQVFJHWSXSVLCQ-SMDDNHRTSA-N 2 2 261.373 0.931 20 0 CCADLP CN(C)c1cc[nH+]c(N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)n1 ZINC000896914338 616512339 /nfs/dbraw/zinc/51/23/39/616512339.db2.gz AQVFJHWSXSVLCQ-SMDDNHRTSA-N 2 2 261.373 0.931 20 0 CCADLP Cn1nnnc1CC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931316956 616513689 /nfs/dbraw/zinc/51/36/89/616513689.db2.gz LSMOMOHOAQIGSJ-CHWSQXEVSA-N 2 2 264.377 0.026 20 0 CCADLP COC(=O)[C@@](C)(Cn1cccn1)[NH2+]CCC1CC[NH2+]CC1 ZINC000903863638 616535327 /nfs/dbraw/zinc/53/53/27/616535327.db2.gz NXIFEVZOCLVMFO-OAHLLOKOSA-N 2 2 294.399 0.794 20 0 CCADLP COC(=O)[C@@](C)(Cn1cccn1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000903862747 616535763 /nfs/dbraw/zinc/53/57/63/616535763.db2.gz DMZJCHWHTZWULP-TZMCWYRMSA-N 2 2 280.372 0.404 20 0 CCADLP COCCOCC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931511857 616544090 /nfs/dbraw/zinc/54/40/90/616544090.db2.gz BWHUHMUKFRIUNR-UHFFFAOYSA-N 2 2 251.330 0.685 20 0 CCADLP COCCOCC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931511857 616544092 /nfs/dbraw/zinc/54/40/92/616544092.db2.gz BWHUHMUKFRIUNR-UHFFFAOYSA-N 2 2 251.330 0.685 20 0 CCADLP COC(=O)[C@H](Cc1cncs1)[NH2+]CC1CC[NH2+]CC1 ZINC000873227081 616612223 /nfs/dbraw/zinc/61/22/23/616612223.db2.gz GOOKOOOISMCTOI-LBPRGKRZSA-N 2 2 283.397 0.816 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903870604 616623026 /nfs/dbraw/zinc/62/30/26/616623026.db2.gz NZEDXVJIDQBINY-IHRRRGAJSA-N 2 2 272.389 0.227 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903870604 616623030 /nfs/dbraw/zinc/62/30/30/616623030.db2.gz NZEDXVJIDQBINY-IHRRRGAJSA-N 2 2 272.389 0.227 20 0 CCADLP COCC[C@@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000884183599 616637897 /nfs/dbraw/zinc/63/78/97/616637897.db2.gz RJVJJLSAINTMEI-CYBMUJFWSA-N 2 2 292.383 0.662 20 0 CCADLP COC[C@H](C[N@@H+]1CCc2[nH+]ccc(N)c2C1)OC ZINC000931515408 616654974 /nfs/dbraw/zinc/65/49/74/616654974.db2.gz DMBXABCYNGGIDU-JTQLQIEISA-N 2 2 251.330 0.683 20 0 CCADLP COC[C@H](C[N@H+]1CCc2[nH+]ccc(N)c2C1)OC ZINC000931515408 616654977 /nfs/dbraw/zinc/65/49/77/616654977.db2.gz DMBXABCYNGGIDU-JTQLQIEISA-N 2 2 251.330 0.683 20 0 CCADLP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000925426775 616720438 /nfs/dbraw/zinc/72/04/38/616720438.db2.gz RJOPLVKOMKPCTP-CYBMUJFWSA-N 2 2 298.431 0.443 20 0 CCADLP COCC(COC)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000930903229 616726971 /nfs/dbraw/zinc/72/69/71/616726971.db2.gz HUMIOLGAUFFJQF-ZDUSSCGKSA-N 2 2 260.378 0.036 20 0 CCADLP COCC(COC)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000930903229 616726974 /nfs/dbraw/zinc/72/69/74/616726974.db2.gz HUMIOLGAUFFJQF-ZDUSSCGKSA-N 2 2 260.378 0.036 20 0 CCADLP COC[C@H](O)C[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000905549781 616744412 /nfs/dbraw/zinc/74/44/12/616744412.db2.gz GPNUQNSKXRMOLF-KGLIPLIRSA-N 2 2 267.373 0.671 20 0 CCADLP COC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC000962147965 616816331 /nfs/dbraw/zinc/81/63/31/616816331.db2.gz KWKPPXGARGXXMX-PUHVVEEASA-N 2 2 278.356 0.034 20 0 CCADLP COC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC000962147965 616816335 /nfs/dbraw/zinc/81/63/35/616816335.db2.gz KWKPPXGARGXXMX-PUHVVEEASA-N 2 2 278.356 0.034 20 0 CCADLP CO[C@H]1C[C@@H](C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000879356724 616859562 /nfs/dbraw/zinc/85/95/62/616859562.db2.gz PJEXIEDODNNKDN-BETUJISGSA-N 2 2 269.389 0.117 20 0 CCADLP CO[C@H]1C[C@@H](C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000879356724 616859566 /nfs/dbraw/zinc/85/95/66/616859566.db2.gz PJEXIEDODNNKDN-BETUJISGSA-N 2 2 269.389 0.117 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)n1C ZINC000873095363 616905295 /nfs/dbraw/zinc/90/52/95/616905295.db2.gz VIKMQBJKBFNKHE-CQSZACIVSA-N 2 2 283.372 0.214 20 0 CCADLP C[NH2+]CC1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000911779016 616937825 /nfs/dbraw/zinc/93/78/25/616937825.db2.gz XYKVIFHSTNDPFF-CYBMUJFWSA-N 2 2 276.384 0.904 20 0 CCADLP COCCN(C)C(=[NH2+])NCCCNc1cccc[nH+]1 ZINC000871603944 616945874 /nfs/dbraw/zinc/94/58/74/616945874.db2.gz NILPREFFFXLJEX-UHFFFAOYSA-N 2 2 265.361 0.986 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H](O)COC1CCOCC1 ZINC000923295595 616984179 /nfs/dbraw/zinc/98/41/79/616984179.db2.gz ZFAYKKZAZKKUJU-STQMWFEESA-N 2 2 272.389 0.227 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H](O)COC1CCOCC1 ZINC000923295595 616984184 /nfs/dbraw/zinc/98/41/84/616984184.db2.gz ZFAYKKZAZKKUJU-STQMWFEESA-N 2 2 272.389 0.227 20 0 CCADLP C[NH2+]C[C@H]1CCCC[N@@H+]1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000923423724 616996864 /nfs/dbraw/zinc/99/68/64/616996864.db2.gz MRARZJRUUFDIDJ-KFWWJZLASA-N 2 2 286.416 0.617 20 0 CCADLP C[NH2+]C[C@H]1CCCC[N@H+]1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000923423724 616996867 /nfs/dbraw/zinc/99/68/67/616996867.db2.gz MRARZJRUUFDIDJ-KFWWJZLASA-N 2 2 286.416 0.617 20 0 CCADLP CON(C)C(=O)C1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000812871410 616999635 /nfs/dbraw/zinc/99/96/35/616999635.db2.gz GPHJGUFLLFHIAF-CQSZACIVSA-N 2 2 299.415 0.173 20 0 CCADLP CON(C)C(=O)C1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000812871410 616999641 /nfs/dbraw/zinc/99/96/41/616999641.db2.gz GPHJGUFLLFHIAF-CQSZACIVSA-N 2 2 299.415 0.173 20 0 CCADLP CO[C@H](C)C[N@@H+]1CCCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000981298866 617060047 /nfs/dbraw/zinc/06/00/47/617060047.db2.gz ROFDCGWOCQTVAB-CYBMUJFWSA-N 2 2 294.399 0.912 20 0 CCADLP CO[C@H](C)C[N@H+]1CCCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000981298866 617060051 /nfs/dbraw/zinc/06/00/51/617060051.db2.gz ROFDCGWOCQTVAB-CYBMUJFWSA-N 2 2 294.399 0.912 20 0 CCADLP CO[C@H](C)C[N@@H+]1CCCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000981298866 617060054 /nfs/dbraw/zinc/06/00/54/617060054.db2.gz ROFDCGWOCQTVAB-CYBMUJFWSA-N 2 2 294.399 0.912 20 0 CCADLP CO[C@H](C)C[N@H+]1CCCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000981298866 617060056 /nfs/dbraw/zinc/06/00/56/617060056.db2.gz ROFDCGWOCQTVAB-CYBMUJFWSA-N 2 2 294.399 0.912 20 0 CCADLP CON1CC[C@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1=O ZINC000929804355 617097663 /nfs/dbraw/zinc/09/76/63/617097663.db2.gz VMYKBFFTNQZDJV-NSHDSACASA-N 2 2 264.329 0.751 20 0 CCADLP c1[nH+]cn2ccnc(N3CC[N@H+]4CCOC[C@@H]4C3)c12 ZINC000893157231 625338200 /nfs/dbraw/zinc/33/82/00/625338200.db2.gz IETHXDMIQXMTHI-NSHDSACASA-N 2 2 259.313 0.250 20 0 CCADLP c1[nH+]cn2ccnc(N3CC[N@@H+]4CCOC[C@@H]4C3)c12 ZINC000893157231 625338201 /nfs/dbraw/zinc/33/82/01/625338201.db2.gz IETHXDMIQXMTHI-NSHDSACASA-N 2 2 259.313 0.250 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]2CC[C@@H]([NH2+]CCO)[C@@H]2C1 ZINC001026282069 625387024 /nfs/dbraw/zinc/38/70/24/625387024.db2.gz NHYADZLWGSQYQF-IACUBPJLSA-N 2 2 292.383 0.161 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1C[C@@H]2CC[C@@H]([NH2+]CCO)[C@@H]2C1 ZINC001026282069 625387025 /nfs/dbraw/zinc/38/70/25/625387025.db2.gz NHYADZLWGSQYQF-IACUBPJLSA-N 2 2 292.383 0.161 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000925549514 625403519 /nfs/dbraw/zinc/40/35/19/625403519.db2.gz MDYJHPGJXFTOQV-HZSPNIEDSA-N 3 2 254.422 0.352 20 0 CCADLP CS(=O)(=O)C1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CCCC1 ZINC000925670003 625490116 /nfs/dbraw/zinc/49/01/16/625490116.db2.gz FIAMBDBGBSVDGU-QSLWVIQJSA-N 2 2 298.452 0.930 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000925673287 625494378 /nfs/dbraw/zinc/49/43/78/625494378.db2.gz MFTHTUWTJTWVKD-TUAOUCFPSA-N 2 2 260.403 0.541 20 0 CCADLP OCCC[NH+]1CCN(c2nccn3c[nH+]cc23)CC1 ZINC000892164709 622627566 /nfs/dbraw/zinc/62/75/66/622627566.db2.gz JPCPFMJCQSONPA-UHFFFAOYSA-N 2 2 261.329 0.234 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001022775014 622742385 /nfs/dbraw/zinc/74/23/85/622742385.db2.gz GTXHRAVNFCEQON-SDDRHHMPSA-N 2 2 278.356 0.226 20 0 CCADLP Cn1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)n1 ZINC001022775750 622744331 /nfs/dbraw/zinc/74/43/31/622744331.db2.gz GTKKXNUHEJJZMJ-TXEJJXNPSA-N 2 2 288.355 0.123 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)N2CC[C@H]3C[NH+](C)C[C@@H]32)CCO1 ZINC000892595720 623570926 /nfs/dbraw/zinc/57/09/26/623570926.db2.gz JEDCHOYUXOXJQN-RDBSUJKOSA-N 2 2 296.415 0.053 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)N2CC[C@H]3C[NH+](C)C[C@@H]32)CCO1 ZINC000892595720 623570937 /nfs/dbraw/zinc/57/09/37/623570937.db2.gz JEDCHOYUXOXJQN-RDBSUJKOSA-N 2 2 296.415 0.053 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)CCO1 ZINC000892595720 623570947 /nfs/dbraw/zinc/57/09/47/623570947.db2.gz JEDCHOYUXOXJQN-RDBSUJKOSA-N 2 2 296.415 0.053 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)CCO1 ZINC000892595720 623570959 /nfs/dbraw/zinc/57/09/59/623570959.db2.gz JEDCHOYUXOXJQN-RDBSUJKOSA-N 2 2 296.415 0.053 20 0 CCADLP C[C@@H]1CC[N@H+](CCNC(=O)NCC[NH+]2CCO[C@@H](C)C2)C1 ZINC000892598229 623574191 /nfs/dbraw/zinc/57/41/91/623574191.db2.gz YQXBQMCAIZNAIC-KGLIPLIRSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@@H]1CC[N@@H+](CCNC(=O)NCC[NH+]2CCO[C@@H](C)C2)C1 ZINC000892598229 623574195 /nfs/dbraw/zinc/57/41/95/623574195.db2.gz YQXBQMCAIZNAIC-KGLIPLIRSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@@H]1CC[NH+](CCNC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000892598229 623574213 /nfs/dbraw/zinc/57/42/13/623574213.db2.gz YQXBQMCAIZNAIC-KGLIPLIRSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@@H]1CC[NH+](CCNC(=O)NCC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000892598229 623574220 /nfs/dbraw/zinc/57/42/20/623574220.db2.gz YQXBQMCAIZNAIC-KGLIPLIRSA-N 2 2 298.431 0.348 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](CCF)CC1(C)C ZINC000974845405 625680567 /nfs/dbraw/zinc/68/05/67/625680567.db2.gz SUZPMTJSMIPPMS-GFCCVEGCSA-N 2 2 282.363 0.988 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](CCF)CC1(C)C ZINC000974845405 625680578 /nfs/dbraw/zinc/68/05/78/625680578.db2.gz SUZPMTJSMIPPMS-GFCCVEGCSA-N 2 2 282.363 0.988 20 0 CCADLP FCCn1cc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cn1 ZINC000902448306 634387808 /nfs/dbraw/zinc/38/78/08/634387808.db2.gz YNJWTUFSJUMOOC-UONOGXRCSA-N 2 2 282.363 0.709 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](CCCCCCO)CC1 ZINC000175746197 624646919 /nfs/dbraw/zinc/64/69/19/624646919.db2.gz DRKNVWUEIIORJD-UHFFFAOYSA-N 2 2 271.405 0.245 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]([NH2+]CC2CC2)C1 ZINC000970481294 624691060 /nfs/dbraw/zinc/69/10/60/624691060.db2.gz DGYFLJDBUNCJQK-GFCCVEGCSA-N 2 2 262.357 0.563 20 0 CCADLP Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)o1 ZINC000970719331 624738049 /nfs/dbraw/zinc/73/80/49/624738049.db2.gz ANCXEXDOLSJZHV-GFCCVEGCSA-N 2 2 293.371 0.164 20 0 CCADLP O=C([C@H](C1CC1)[NH+]1CCOCC1)N1CC[C@@H]([NH2+]CCF)C1 ZINC000970762023 624745950 /nfs/dbraw/zinc/74/59/50/624745950.db2.gz IMXYORWCJMNKLU-KGLIPLIRSA-N 2 2 299.390 0.257 20 0 CCADLP Cc1cc(C[NH2+][C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)on1 ZINC000970857618 624771564 /nfs/dbraw/zinc/77/15/64/624771564.db2.gz FQPFPTPHUNLLNV-GFCCVEGCSA-N 2 2 289.339 0.570 20 0 CCADLP Cc1ncc(C[NH2+][C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)o1 ZINC000970856730 624771646 /nfs/dbraw/zinc/77/16/46/624771646.db2.gz QGFZQQGFPUULKS-GFCCVEGCSA-N 2 2 289.339 0.570 20 0 CCADLP O[C@H](C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)CC(F)(F)F ZINC000307949523 624821120 /nfs/dbraw/zinc/82/11/20/624821120.db2.gz QQOYRTONFLCZNT-LPEHRKFASA-N 2 2 252.280 0.984 20 0 CCADLP O[C@H](C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)CC(F)(F)F ZINC000307949523 624821121 /nfs/dbraw/zinc/82/11/21/624821121.db2.gz QQOYRTONFLCZNT-LPEHRKFASA-N 2 2 252.280 0.984 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCCC[C@H]1C[NH3+] ZINC000891529123 624882636 /nfs/dbraw/zinc/88/26/36/624882636.db2.gz UOXNFJYEOJDWBP-KGLIPLIRSA-N 2 2 297.447 0.145 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000933543522 624888529 /nfs/dbraw/zinc/88/85/29/624888529.db2.gz HIEHMLDPECZYKZ-CQSZACIVSA-N 2 2 275.356 0.999 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCO[C@@H](c2ccnn2C)C1 ZINC000933543522 624888530 /nfs/dbraw/zinc/88/85/30/624888530.db2.gz HIEHMLDPECZYKZ-CQSZACIVSA-N 2 2 275.356 0.999 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000891707560 624909950 /nfs/dbraw/zinc/90/99/50/624909950.db2.gz CGVAWRHZNDXZDL-FRRDWIJNSA-N 2 2 289.383 0.791 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC1CCC([NH3+])CC1 ZINC000892025208 625032808 /nfs/dbraw/zinc/03/28/08/625032808.db2.gz WLQWOFMVMRMXEO-UHFFFAOYSA-N 2 2 251.334 0.489 20 0 CCADLP O=C1O[C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)CN1C1CC1 ZINC000925714835 625720401 /nfs/dbraw/zinc/72/04/01/625720401.db2.gz XIZZPLYILAJEPY-NWDGAFQWSA-N 2 2 265.357 0.844 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)OC1COC1 ZINC000902811078 634469160 /nfs/dbraw/zinc/46/91/60/634469160.db2.gz JIPBYIRBYHQTIT-UHFFFAOYSA-N 2 2 285.388 0.480 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)OC1COC1 ZINC000902811078 634469168 /nfs/dbraw/zinc/46/91/68/634469168.db2.gz JIPBYIRBYHQTIT-UHFFFAOYSA-N 2 2 285.388 0.480 20 0 CCADLP [NH3+]C[C@]12CC[C@H]1CCC[N@@H+]2C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000903803177 634655492 /nfs/dbraw/zinc/65/54/92/634655492.db2.gz WGJDWPZUTMLVSU-UMVBOHGHSA-N 3 2 265.401 0.711 20 0 CCADLP [NH3+]C[C@]12CC[C@H]1CCC[N@H+]2C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000903803177 634655498 /nfs/dbraw/zinc/65/54/98/634655498.db2.gz WGJDWPZUTMLVSU-UMVBOHGHSA-N 3 2 265.401 0.711 20 0 CCADLP NC(=O)CC[C@@H]1CCC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903888934 634671050 /nfs/dbraw/zinc/67/10/50/634671050.db2.gz NDROLDMDYJQWAA-VHSXEESVSA-N 2 2 263.332 0.946 20 0 CCADLP NC(=O)CC[C@@H]1CCC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903888934 634671051 /nfs/dbraw/zinc/67/10/51/634671051.db2.gz NDROLDMDYJQWAA-VHSXEESVSA-N 2 2 263.332 0.946 20 0 CCADLP Cc1c(C[C@@H](C[NH3+])C[NH2+][C@H]2CC[NH2+]CC2(C)C)cnn1C ZINC000903919586 634687084 /nfs/dbraw/zinc/68/70/84/634687084.db2.gz OLIGJCZBXZEJMD-ZFWWWQNUSA-N 3 2 293.459 0.824 20 0 CCADLP C[C@@]1(C[N@@H+]2CCC[C@H](S(N)(=O)=O)C2)CCC[NH2+]C1 ZINC000904335610 634728384 /nfs/dbraw/zinc/72/83/84/634728384.db2.gz HACUXHXQWRJPMQ-NWDGAFQWSA-N 2 2 275.418 0.129 20 0 CCADLP C[C@@]1(C[N@H+]2CCC[C@H](S(N)(=O)=O)C2)CCC[NH2+]C1 ZINC000904335610 634728388 /nfs/dbraw/zinc/72/83/88/634728388.db2.gz HACUXHXQWRJPMQ-NWDGAFQWSA-N 2 2 275.418 0.129 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1Cc1nc(Cc2c[nH+]cn2C)no1 ZINC000904649163 634759239 /nfs/dbraw/zinc/75/92/39/634759239.db2.gz OSOKPPMGQHHAPZ-NXEZZACHSA-N 2 2 261.329 0.792 20 0 CCADLP C[C@@H](O)C[N@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001027652940 630836572 /nfs/dbraw/zinc/83/65/72/630836572.db2.gz WJOSQQVFDJHGKN-OLZOCXBDSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@@H](O)C[N@@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001027652940 630836576 /nfs/dbraw/zinc/83/65/76/630836576.db2.gz WJOSQQVFDJHGKN-OLZOCXBDSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@H]([NH2+]CC1CC1)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC000979402205 630923267 /nfs/dbraw/zinc/92/32/67/630923267.db2.gz IKASGKCIAKOOSG-SMDDNHRTSA-N 2 2 292.383 0.568 20 0 CCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H](O)COC1CCOCC1 ZINC000931724837 631063016 /nfs/dbraw/zinc/06/30/16/631063016.db2.gz OOIIKBDBYKEGBG-RRFJBIMHSA-N 2 2 298.427 0.711 20 0 CCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H](O)COC1CCOCC1 ZINC000931724837 631063022 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CCADLP O=C(CCc1c[nH]c[nH+]1)N1CCC[N@@H+](CCCO)CC1 ZINC000981295757 631263737 /nfs/dbraw/zinc/26/37/37/631263737.db2.gz VEKVKYIINPNTRL-UHFFFAOYSA-N 2 2 280.372 0.259 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CCC[N@H+](CCCO)CC1 ZINC000981295757 631263745 /nfs/dbraw/zinc/26/37/45/631263745.db2.gz VEKVKYIINPNTRL-UHFFFAOYSA-N 2 2 280.372 0.259 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CCC[N@@H+](CCCO)CC1 ZINC000981295757 631263754 /nfs/dbraw/zinc/26/37/54/631263754.db2.gz VEKVKYIINPNTRL-UHFFFAOYSA-N 2 2 280.372 0.259 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CCC[N@H+](CCCO)CC1 ZINC000981295757 631263760 /nfs/dbraw/zinc/26/37/60/631263760.db2.gz VEKVKYIINPNTRL-UHFFFAOYSA-N 2 2 280.372 0.259 20 0 CCADLP C[C@@H](CC(=O)N1CCC[N@H+](CCO)CC1)n1cc[nH+]c1 ZINC000982050725 631372288 /nfs/dbraw/zinc/37/22/88/631372288.db2.gz FHLFWOIMSUVQAA-ZDUSSCGKSA-N 2 2 280.372 0.361 20 0 CCADLP C[C@@H](CC(=O)N1CCC[N@@H+](CCO)CC1)n1cc[nH+]c1 ZINC000982050725 631372291 /nfs/dbraw/zinc/37/22/91/631372291.db2.gz FHLFWOIMSUVQAA-ZDUSSCGKSA-N 2 2 280.372 0.361 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925851368 631399830 /nfs/dbraw/zinc/39/98/30/631399830.db2.gz YETRAWSTZDBIIX-AVGNSLFASA-N 3 2 281.400 0.402 20 0 CCADLP Cn1nccc1[C@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925889894 631435454 /nfs/dbraw/zinc/43/54/54/631435454.db2.gz MNRYNVXQGDZNHY-CHWSQXEVSA-N 2 2 264.373 0.718 20 0 CCADLP Cc1ccnc(N)c1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000894242583 631623411 /nfs/dbraw/zinc/62/34/11/631623411.db2.gz PIMJYCBAXXWDOZ-QWHCGFSZSA-N 2 2 276.384 0.925 20 0 CCADLP Cc1ccnc(N)c1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000894242583 631623420 /nfs/dbraw/zinc/62/34/20/631623420.db2.gz PIMJYCBAXXWDOZ-QWHCGFSZSA-N 2 2 276.384 0.925 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928087607 631682708 /nfs/dbraw/zinc/68/27/08/631682708.db2.gz CROJPYRHBVOZEP-STQMWFEESA-N 2 2 294.424 0.659 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928087607 631682712 /nfs/dbraw/zinc/68/27/12/631682712.db2.gz CROJPYRHBVOZEP-STQMWFEESA-N 2 2 294.424 0.659 20 0 CCADLP CCCN1CCC[N@H+](C[C@H]2CCC[NH2+]C2)CC1=O ZINC000261981165 631742360 /nfs/dbraw/zinc/74/23/60/631742360.db2.gz RKRMQQPIPDQMTG-ZDUSSCGKSA-N 2 2 253.390 0.930 20 0 CCADLP CCCN1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)CC1=O ZINC000261981165 631742363 /nfs/dbraw/zinc/74/23/63/631742363.db2.gz RKRMQQPIPDQMTG-ZDUSSCGKSA-N 2 2 253.390 0.930 20 0 CCADLP O[C@@H]1CC[N@@H+](C2CCN(c3nccn4c[nH+]cc34)CC2)C1 ZINC000894624777 631806156 /nfs/dbraw/zinc/80/61/56/631806156.db2.gz MZARLUBNPKELEM-CYBMUJFWSA-N 2 2 287.367 0.765 20 0 CCADLP O[C@@H]1CC[N@H+](C2CCN(c3nccn4c[nH+]cc34)CC2)C1 ZINC000894624777 631806157 /nfs/dbraw/zinc/80/61/57/631806157.db2.gz MZARLUBNPKELEM-CYBMUJFWSA-N 2 2 287.367 0.765 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC000968872092 650032612 /nfs/dbraw/zinc/03/26/12/650032612.db2.gz NKIUNPXUCGDXJM-GXTWGEPZSA-N 2 2 292.383 0.569 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC000968872092 650032615 /nfs/dbraw/zinc/03/26/15/650032615.db2.gz NKIUNPXUCGDXJM-GXTWGEPZSA-N 2 2 292.383 0.569 20 0 CCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@H]1CC[N@H+]1C)CC2 ZINC000928554325 631982931 /nfs/dbraw/zinc/98/29/31/631982931.db2.gz GHQSFIHIAXNNEE-RYUDHWBXSA-N 2 2 262.357 0.574 20 0 CCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C)CC2 ZINC000928554325 631982937 /nfs/dbraw/zinc/98/29/37/631982937.db2.gz GHQSFIHIAXNNEE-RYUDHWBXSA-N 2 2 262.357 0.574 20 0 CCADLP C[C@@H](CC[NH2+][C@@H](C)[C@@H]1CCS(=O)(=O)C1)[NH+](C)C ZINC000895428046 632078908 /nfs/dbraw/zinc/07/89/08/632078908.db2.gz FMCHOVLDLXECLG-SDDRHHMPSA-N 2 2 262.419 0.739 20 0 CCADLP O=C(NCCNc1cccc[nH+]1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895608365 632108569 /nfs/dbraw/zinc/10/85/69/632108569.db2.gz LBHNWBCJVHMCAX-ZDUSSCGKSA-N 2 2 290.367 0.330 20 0 CCADLP C[C@@H](O)CNc1cc(N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)nc[nH+]1 ZINC000896914722 632361704 /nfs/dbraw/zinc/36/17/04/632361704.db2.gz QFGGVSDNWLFUJN-TYNCELHUSA-N 2 2 291.399 0.657 20 0 CCADLP C[C@@H](O)CNc1cc(N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)nc[nH+]1 ZINC000896914722 632361711 /nfs/dbraw/zinc/36/17/11/632361711.db2.gz QFGGVSDNWLFUJN-TYNCELHUSA-N 2 2 291.399 0.657 20 0 CCADLP CC(C)[NH2+]C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000985168979 632367549 /nfs/dbraw/zinc/36/75/49/632367549.db2.gz DBFCRWFEWKOYQH-HAQNSBGRSA-N 2 2 250.346 0.776 20 0 CCADLP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000985463150 632492353 /nfs/dbraw/zinc/49/23/53/632492353.db2.gz TZDPJMSCXGPBQH-GFCCVEGCSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000985463150 632492355 /nfs/dbraw/zinc/49/23/55/632492355.db2.gz TZDPJMSCXGPBQH-GFCCVEGCSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000985463150 632492358 /nfs/dbraw/zinc/49/23/58/632492358.db2.gz TZDPJMSCXGPBQH-GFCCVEGCSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000985463150 632492361 /nfs/dbraw/zinc/49/23/61/632492361.db2.gz TZDPJMSCXGPBQH-GFCCVEGCSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CC2CC2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000987262396 632849519 /nfs/dbraw/zinc/84/95/19/632849519.db2.gz UZALJSIARKBGEP-JQWIXIFHSA-N 2 2 262.357 0.941 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CCF)CCN1C(=O)Cc1c[nH+]cn1C ZINC000987349057 632859896 /nfs/dbraw/zinc/85/98/96/632859896.db2.gz SGGYVYMSKVEBFS-JQWIXIFHSA-N 2 2 268.336 0.511 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCc1nnnn1C ZINC000898040711 633272357 /nfs/dbraw/zinc/27/23/57/633272357.db2.gz YKUNNCJAGBVBQR-PWSUYJOCSA-N 2 2 264.377 0.215 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCc1nnnn1C ZINC000898040711 633272359 /nfs/dbraw/zinc/27/23/59/633272359.db2.gz YKUNNCJAGBVBQR-PWSUYJOCSA-N 2 2 264.377 0.215 20 0 CCADLP CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000989858181 633367741 /nfs/dbraw/zinc/36/77/41/633367741.db2.gz XVJGBDSIPDPFGH-VXGBXAGGSA-N 2 2 250.346 0.872 20 0 CCADLP CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000989858179 633367994 /nfs/dbraw/zinc/36/79/94/633367994.db2.gz XVJGBDSIPDPFGH-NWDGAFQWSA-N 2 2 250.346 0.872 20 0 CCADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC([NH+]2CCCC2)C1 ZINC000898605534 633632141 /nfs/dbraw/zinc/63/21/41/633632141.db2.gz ASRWLYSGZQZJLQ-GFCCVEGCSA-N 2 2 274.368 0.752 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N1CC([NH+]2CCCC2)C1 ZINC000898609354 633633672 /nfs/dbraw/zinc/63/36/72/633633672.db2.gz UYGQFHDJXJSNQJ-UHFFFAOYSA-N 2 2 262.357 0.970 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N(C)CC2C[NH+](C)C2)c[nH+]1 ZINC000898720427 633649824 /nfs/dbraw/zinc/64/98/24/633649824.db2.gz JAMXVRVNRFDSNU-UHFFFAOYSA-N 2 2 264.373 0.947 20 0 CCADLP C[C@H](C(=O)N[C@@H](CO)c1c[nH+]cn1C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000898883854 633681207 /nfs/dbraw/zinc/68/12/07/633681207.db2.gz MLOKLNQUWUVGHR-XQHKEYJVSA-N 2 2 294.399 0.831 20 0 CCADLP C[C@H](C(=O)N[C@@H](CO)c1c[nH+]cn1C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000898883854 633681210 /nfs/dbraw/zinc/68/12/10/633681210.db2.gz MLOKLNQUWUVGHR-XQHKEYJVSA-N 2 2 294.399 0.831 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000900008041 633937679 /nfs/dbraw/zinc/93/76/79/633937679.db2.gz WZHAVERJEDOXMX-UHFFFAOYSA-N 2 2 271.324 0.696 20 0 CCADLP Cc1[nH]c(CNC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)[nH+]c1C ZINC000901001000 634138859 /nfs/dbraw/zinc/13/88/59/634138859.db2.gz QFHDBKWHWDUDKV-ZWNOBZJWSA-N 2 2 266.345 0.098 20 0 CCADLP Cc1[nH]c(CNC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)[nH+]c1C ZINC000901001000 634138862 /nfs/dbraw/zinc/13/88/62/634138862.db2.gz QFHDBKWHWDUDKV-ZWNOBZJWSA-N 2 2 266.345 0.098 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001009208950 650140234 /nfs/dbraw/zinc/14/02/34/650140234.db2.gz RWFXSWAEBAWUIG-QWHCGFSZSA-N 2 2 294.399 0.578 20 0 CCADLP CO[C@@H](C)C[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001009208950 650140236 /nfs/dbraw/zinc/14/02/36/650140236.db2.gz RWFXSWAEBAWUIG-QWHCGFSZSA-N 2 2 294.399 0.578 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](CCF)C2)C1 ZINC001009512838 650146638 /nfs/dbraw/zinc/14/66/38/650146638.db2.gz DFTLHBWOKASGPE-NWDGAFQWSA-N 2 2 257.353 0.488 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](CCF)C2)C1 ZINC001009512838 650146640 /nfs/dbraw/zinc/14/66/40/650146640.db2.gz DFTLHBWOKASGPE-NWDGAFQWSA-N 2 2 257.353 0.488 20 0 CCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[N@H+](CCF)C2)C1 ZINC001009512838 650146641 /nfs/dbraw/zinc/14/66/41/650146641.db2.gz DFTLHBWOKASGPE-NWDGAFQWSA-N 2 2 257.353 0.488 20 0 CCADLP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)C1 ZINC001009512838 650146642 /nfs/dbraw/zinc/14/66/42/650146642.db2.gz DFTLHBWOKASGPE-NWDGAFQWSA-N 2 2 257.353 0.488 20 0 CCADLP Nc1ccc(Cn2cc(CN3CCC[C@H]([NH3+])C3)nn2)c[nH+]1 ZINC000905817316 634911110 /nfs/dbraw/zinc/91/11/10/634911110.db2.gz OSGAHPFZFGAUSR-LBPRGKRZSA-N 2 2 287.371 0.227 20 0 CCADLP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC[N@H+]1CCO ZINC000907544378 635148938 /nfs/dbraw/zinc/14/89/38/635148938.db2.gz PZJNHDZWZYPPSJ-AWEZNQCLSA-N 2 2 297.443 0.776 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000908021474 635264103 /nfs/dbraw/zinc/26/41/03/635264103.db2.gz PENGXXJLQCJQCP-ZDUSSCGKSA-N 2 2 292.383 0.523 20 0 CCADLP C[C@H](CNC(=O)CNc1cccc[nH+]1)C[NH+](C)C ZINC000908349190 635358811 /nfs/dbraw/zinc/35/88/11/635358811.db2.gz XTSHZEOMBGXDDS-LLVKDONJSA-N 2 2 250.346 0.807 20 0 CCADLP Cc1cc(CNC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)cc(C)[nH+]1 ZINC000911167602 636186069 /nfs/dbraw/zinc/18/60/69/636186069.db2.gz GYIPJGODDAEDID-ZFWWWQNUSA-N 2 2 277.368 0.770 20 0 CCADLP Cc1cc(CNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)cc(C)[nH+]1 ZINC000911167602 636186072 /nfs/dbraw/zinc/18/60/72/636186072.db2.gz GYIPJGODDAEDID-ZFWWWQNUSA-N 2 2 277.368 0.770 20 0 CCADLP Cc1cc(C)c(C(=O)N(C)CCN2CC[NH2+]CC2)c(C)[nH+]1 ZINC000911775518 636375334 /nfs/dbraw/zinc/37/53/34/636375334.db2.gz QPNUNBIHLKZXCV-UHFFFAOYSA-N 2 2 290.411 0.984 20 0 CCADLP C[C@](C[NH3+])(NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000911803165 636396064 /nfs/dbraw/zinc/39/60/64/636396064.db2.gz PHQCFQOYVYSHLP-QMTHXVAHSA-N 2 2 262.357 0.689 20 0 CCADLP C[C@@H](C(=O)N1CC[C@@H]([NH+]2CCC2)C1)[NH+]1CCSCC1 ZINC000912913974 636701082 /nfs/dbraw/zinc/70/10/82/636701082.db2.gz SGNNHECBIITHIQ-QWHCGFSZSA-N 2 2 283.441 0.730 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000227351539 637020837 /nfs/dbraw/zinc/02/08/37/637020837.db2.gz ONRNHMBCEZBHJN-WDEREUQCSA-N 2 2 268.361 0.388 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](CCCO)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001014992151 637283189 /nfs/dbraw/zinc/28/31/89/637283189.db2.gz WDDWSHJFBNLRPI-QWHCGFSZSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(N[C@H]1CC[N@@H+](CCCF)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001014998431 637288914 /nfs/dbraw/zinc/28/89/14/637288914.db2.gz BJKLPZCWQQXACL-OLZOCXBDSA-N 2 2 294.374 0.996 20 0 CCADLP O=C(N[C@H]1CC[N@H+](CCCF)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001014998431 637288920 /nfs/dbraw/zinc/28/89/20/637288920.db2.gz BJKLPZCWQQXACL-OLZOCXBDSA-N 2 2 294.374 0.996 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NCCNc2cccc[nH+]2)CC[N@@H+]1C ZINC000913915699 637468088 /nfs/dbraw/zinc/46/80/88/637468088.db2.gz LFOKCJIYZWBWOS-NEPJUHHUSA-N 2 2 277.372 0.885 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NCCNc2cccc[nH+]2)CC[N@H+]1C ZINC000913915699 637468093 /nfs/dbraw/zinc/46/80/93/637468093.db2.gz LFOKCJIYZWBWOS-NEPJUHHUSA-N 2 2 277.372 0.885 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)NC[C@H]1CC[N@H+]1C ZINC000914247696 637571142 /nfs/dbraw/zinc/57/11/42/637571142.db2.gz DLKFVEUYVSIHAF-GFCCVEGCSA-N 2 2 265.361 0.585 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)NC[C@H]1CC[N@@H+]1C ZINC000914247696 637571152 /nfs/dbraw/zinc/57/11/52/637571152.db2.gz DLKFVEUYVSIHAF-GFCCVEGCSA-N 2 2 265.361 0.585 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=S)NCCC[NH+](C)C ZINC000916004391 637883011 /nfs/dbraw/zinc/88/30/11/637883011.db2.gz MDLIPHJVSKCHJG-GFCCVEGCSA-N 2 2 288.461 0.123 20 0 CCADLP C[C@H]([C@H](C)NC(=O)NC[C@H]1CC[N@@H+]1C)[NH+]1CCOCC1 ZINC000917016403 637942315 /nfs/dbraw/zinc/94/23/15/637942315.db2.gz VUMPVPXSVXOTBI-YNEHKIRRSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@H]([C@H](C)NC(=O)NC[C@H]1CC[N@H+]1C)[NH+]1CCOCC1 ZINC000917016403 637942321 /nfs/dbraw/zinc/94/23/21/637942321.db2.gz VUMPVPXSVXOTBI-YNEHKIRRSA-N 2 2 284.404 0.099 20 0 CCADLP C[N@@H+]1CC[C@H]1CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000921488442 638186376 /nfs/dbraw/zinc/18/63/76/638186376.db2.gz VUXIJVCIVFWKRZ-LBPRGKRZSA-N 2 2 273.340 0.838 20 0 CCADLP C[N@H+]1CC[C@H]1CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000921488442 638186379 /nfs/dbraw/zinc/18/63/79/638186379.db2.gz VUXIJVCIVFWKRZ-LBPRGKRZSA-N 2 2 273.340 0.838 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000925335973 638207708 /nfs/dbraw/zinc/20/77/08/638207708.db2.gz APWHARSSZOJWLB-MCIONIFRSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000925335973 638207715 /nfs/dbraw/zinc/20/77/15/638207715.db2.gz APWHARSSZOJWLB-MCIONIFRSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC1CC1 ZINC000939216670 638332429 /nfs/dbraw/zinc/33/24/29/638332429.db2.gz XICLCLXKFZNCAE-ZWNOBZJWSA-N 2 2 262.357 0.799 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]Cc1ccccn1 ZINC000939407640 638360832 /nfs/dbraw/zinc/36/08/32/638360832.db2.gz HKMZHUDFODLSFN-TZMCWYRMSA-N 2 2 299.378 0.984 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](CCF)C[C@H]1C ZINC000944966333 638784034 /nfs/dbraw/zinc/78/40/34/638784034.db2.gz YHZSSOQCQBONRQ-YPMHNXCESA-N 2 2 282.363 0.988 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](CCF)C[C@H]1C ZINC000944966333 638784035 /nfs/dbraw/zinc/78/40/35/638784035.db2.gz YHZSSOQCQBONRQ-YPMHNXCESA-N 2 2 282.363 0.988 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC1(C)C ZINC000995742289 638800119 /nfs/dbraw/zinc/80/01/19/638800119.db2.gz CAANXFNOCMSROT-VXGBXAGGSA-N 2 2 294.399 0.550 20 0 CCADLP CC[NH2+]C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000996653129 638826176 /nfs/dbraw/zinc/82/61/76/638826176.db2.gz YSTUUGDFIQRCGM-UHFFFAOYSA-N 2 2 250.346 0.943 20 0 CCADLP CC[NH2+]C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000996653129 638826178 /nfs/dbraw/zinc/82/61/78/638826178.db2.gz YSTUUGDFIQRCGM-UHFFFAOYSA-N 2 2 250.346 0.943 20 0 CCADLP C[C@H](O)C[NH2+]C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000996860233 638834899 /nfs/dbraw/zinc/83/48/99/638834899.db2.gz PVDUCBWNAMWXQP-LBPRGKRZSA-N 2 2 280.372 0.235 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@H+](CCO)C3)ccn12 ZINC001014447820 650453052 /nfs/dbraw/zinc/45/30/52/650453052.db2.gz QELYXPFJKVXANH-ZDUSSCGKSA-N 2 2 288.351 0.439 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@@H+](CCO)C3)ccn12 ZINC001014447820 650453053 /nfs/dbraw/zinc/45/30/53/650453053.db2.gz QELYXPFJKVXANH-ZDUSSCGKSA-N 2 2 288.351 0.439 20 0 CCADLP CC[NH2+]C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000997237793 638860264 /nfs/dbraw/zinc/86/02/64/638860264.db2.gz PHNSKDWUDCRTFJ-UHFFFAOYSA-N 2 2 264.373 0.953 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@H]([NH2+]CCO)C2)c[nH+]1 ZINC000999466149 638982789 /nfs/dbraw/zinc/98/27/89/638982789.db2.gz MHIYMDJDBZJPHU-ZDUSSCGKSA-N 2 2 294.399 0.500 20 0 CCADLP CCC[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000999474134 638983146 /nfs/dbraw/zinc/98/31/46/638983146.db2.gz RCFDLISYWPHOCD-UHFFFAOYSA-N 2 2 250.346 0.941 20 0 CCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000999537772 638984656 /nfs/dbraw/zinc/98/46/56/638984656.db2.gz UKGAFYKFJSNHOM-CHWSQXEVSA-N 2 2 292.383 0.018 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N2CCC[C@@H]([NH2+]CCF)C2)no1 ZINC000999562776 638986159 /nfs/dbraw/zinc/98/61/59/638986159.db2.gz REVFYOMDAMCVJZ-LLVKDONJSA-N 2 2 298.362 0.900 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001015026801 650516756 /nfs/dbraw/zinc/51/67/56/650516756.db2.gz HGZJORXLNDHWSI-SNVBAGLBSA-N 2 2 266.345 0.560 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001015026801 650516757 /nfs/dbraw/zinc/51/67/57/650516757.db2.gz HGZJORXLNDHWSI-SNVBAGLBSA-N 2 2 266.345 0.560 20 0 CCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCC(c3ccn[nH]3)CC2)C1 ZINC000923324443 640086920 /nfs/dbraw/zinc/08/69/20/640086920.db2.gz UFUCJMSRUGSQMR-DRZSPHRISA-N 2 2 250.346 0.440 20 0 CCADLP O[C@@H](Cn1cccn1)C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000923363920 640101740 /nfs/dbraw/zinc/10/17/40/640101740.db2.gz FEAYNTWDASZKJR-RBSFLKMASA-N 2 2 278.400 0.851 20 0 CCADLP O[C@@H](Cn1cccn1)C[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000923363920 640101741 /nfs/dbraw/zinc/10/17/41/640101741.db2.gz FEAYNTWDASZKJR-RBSFLKMASA-N 2 2 278.400 0.851 20 0 CCADLP Cc1nc2sccn2c1C[N@@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923368728 640105845 /nfs/dbraw/zinc/10/58/45/640105845.db2.gz BDMPDQMUDIDBDI-NHCYSSNCSA-N 2 2 280.397 0.987 20 0 CCADLP Cc1nc2sccn2c1C[N@H+](C)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923368728 640105854 /nfs/dbraw/zinc/10/58/54/640105854.db2.gz BDMPDQMUDIDBDI-NHCYSSNCSA-N 2 2 280.397 0.987 20 0 CCADLP [NH3+]C[C@H]1CCCC[N@@H+]1C[C@H](O)COC[C@@H]1CCCO1 ZINC000923414594 640129911 /nfs/dbraw/zinc/12/99/11/640129911.db2.gz MOTMWSUOZLZGNL-RDBSUJKOSA-N 2 2 272.389 0.356 20 0 CCADLP [NH3+]C[C@H]1CCCC[N@H+]1C[C@H](O)COC[C@@H]1CCCO1 ZINC000923414594 640129916 /nfs/dbraw/zinc/12/99/16/640129916.db2.gz MOTMWSUOZLZGNL-RDBSUJKOSA-N 2 2 272.389 0.356 20 0 CCADLP O=C(C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)NCC1CCC1 ZINC000923517481 640174170 /nfs/dbraw/zinc/17/41/70/640174170.db2.gz CVBKGSBOAGROEZ-QWHCGFSZSA-N 2 2 251.374 0.444 20 0 CCADLP O=C(C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)NCC1CCC1 ZINC000923517481 640174174 /nfs/dbraw/zinc/17/41/74/640174174.db2.gz CVBKGSBOAGROEZ-QWHCGFSZSA-N 2 2 251.374 0.444 20 0 CCADLP O[C@@H](C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc(F)cn1 ZINC000799297203 640557181 /nfs/dbraw/zinc/55/71/81/640557181.db2.gz SXXVVPPQRDPBOF-CWSCBRNRSA-N 2 2 251.305 0.405 20 0 CCADLP O[C@@H](C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc(F)cn1 ZINC000799297203 640557187 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CCADLP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@H]1CCC[NH2+]1 ZINC000925848299 648466536 /nfs/dbraw/zinc/46/65/36/648466536.db2.gz FCDNBKZXHQIUBB-JHJVBQTASA-N 3 2 281.400 0.402 20 0 CCADLP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000926230818 648493872 /nfs/dbraw/zinc/49/38/72/648493872.db2.gz YDXRDXNXNOAFCT-GRYCIOLGSA-N 2 2 262.357 0.845 20 0 CCADLP OCc1cn(CCC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)nn1 ZINC000926439894 648503380 /nfs/dbraw/zinc/50/33/80/648503380.db2.gz LYXNDYBCRFPPJK-CABCVRRESA-N 2 2 293.415 0.767 20 0 CCADLP OCc1cn(CCC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)nn1 ZINC000926439894 648503387 /nfs/dbraw/zinc/50/33/87/648503387.db2.gz LYXNDYBCRFPPJK-CABCVRRESA-N 2 2 293.415 0.767 20 0 CCADLP O=C1C[C@H](C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CN1 ZINC000926577088 648511515 /nfs/dbraw/zinc/51/15/15/648511515.db2.gz SNUWNAQCMXFKSW-AGIUHOORSA-N 2 2 251.374 0.729 20 0 CCADLP O=C1C[C@H](C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CN1 ZINC000926577088 648511518 /nfs/dbraw/zinc/51/15/18/648511518.db2.gz SNUWNAQCMXFKSW-AGIUHOORSA-N 2 2 251.374 0.729 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000928431262 648630933 /nfs/dbraw/zinc/63/09/33/648630933.db2.gz MKCVDSSFYGSNTA-SCVCMEIPSA-N 2 2 250.346 0.797 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000928431262 648630936 /nfs/dbraw/zinc/63/09/36/648630936.db2.gz MKCVDSSFYGSNTA-SCVCMEIPSA-N 2 2 250.346 0.797 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000928431262 648630938 /nfs/dbraw/zinc/63/09/38/648630938.db2.gz MKCVDSSFYGSNTA-SCVCMEIPSA-N 2 2 250.346 0.797 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000928431262 648630940 /nfs/dbraw/zinc/63/09/40/648630940.db2.gz MKCVDSSFYGSNTA-SCVCMEIPSA-N 2 2 250.346 0.797 20 0 CCADLP C[N@H+](CC(=O)NC[C@@H]1CC[NH+]1C)[C@H]1CCSC1 ZINC000928559217 648649324 /nfs/dbraw/zinc/64/93/24/648649324.db2.gz JWIXHWVBUOABQX-QWRGUYRKSA-N 2 2 257.403 0.244 20 0 CCADLP C[N@@H+](CC(=O)NC[C@@H]1CC[NH+]1C)[C@H]1CCSC1 ZINC000928559217 648649329 /nfs/dbraw/zinc/64/93/29/648649329.db2.gz JWIXHWVBUOABQX-QWRGUYRKSA-N 2 2 257.403 0.244 20 0 CCADLP C[NH+](CC(=O)NC[C@@H]1CC[N@@H+]1C)[C@H]1CCSC1 ZINC000928559217 648649333 /nfs/dbraw/zinc/64/93/33/648649333.db2.gz JWIXHWVBUOABQX-QWRGUYRKSA-N 2 2 257.403 0.244 20 0 CCADLP C[NH+](CC(=O)NC[C@@H]1CC[N@H+]1C)[C@H]1CCSC1 ZINC000928559217 648649339 /nfs/dbraw/zinc/64/93/39/648649339.db2.gz JWIXHWVBUOABQX-QWRGUYRKSA-N 2 2 257.403 0.244 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CCOC2CC2)CC1 ZINC000930061780 648817495 /nfs/dbraw/zinc/81/74/95/648817495.db2.gz PHMZIJMDYLXKRQ-UHFFFAOYSA-N 2 2 250.346 0.721 20 0 CCADLP Cc1[nH]c(C[NH2+][C@H](CO)[C@H]2CCCOC2)c(C)[nH+]1 ZINC000930721223 648894239 /nfs/dbraw/zinc/89/42/39/648894239.db2.gz XENYJOSQFGLALY-WCQYABFASA-N 2 2 253.346 0.904 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCNC(=O)CC1(C)C ZINC000931202094 648963969 /nfs/dbraw/zinc/96/39/69/648963969.db2.gz DDCNWAOYANTCTC-UHFFFAOYSA-N 2 2 250.346 0.563 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCNC(=O)CC1(C)C ZINC000931202094 648963972 /nfs/dbraw/zinc/96/39/72/648963972.db2.gz DDCNWAOYANTCTC-UHFFFAOYSA-N 2 2 250.346 0.563 20 0 CCADLP Nc1cc[nH+]c2c1C[N@H+](C[C@@H]1CCC3(COC3)O1)CC2 ZINC000931515831 648999511 /nfs/dbraw/zinc/99/95/11/648999511.db2.gz DBTPJNPQEVVIPR-NSHDSACASA-N 2 2 275.352 0.970 20 0 CCADLP Nc1cc[nH+]c2c1C[N@@H+](C[C@@H]1CCC3(COC3)O1)CC2 ZINC000931515831 648999514 /nfs/dbraw/zinc/99/95/14/648999514.db2.gz DBTPJNPQEVVIPR-NSHDSACASA-N 2 2 275.352 0.970 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CCF ZINC000948090966 649363147 /nfs/dbraw/zinc/36/31/47/649363147.db2.gz RCBBJVSWMYYUFW-VXGBXAGGSA-N 2 2 268.336 0.822 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CCF ZINC000948090966 649363149 /nfs/dbraw/zinc/36/31/49/649363149.db2.gz RCBBJVSWMYYUFW-VXGBXAGGSA-N 2 2 268.336 0.822 20 0 CCADLP CCOc1cc[nH+]c(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1 ZINC001164669307 719391800 /nfs/dbraw/zinc/39/18/00/719391800.db2.gz URDQDPJUYLBFEK-QWHCGFSZSA-N 2 2 263.341 1.000 20 0 CCADLP CCOc1cc[nH+]c(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1 ZINC001164669307 719391803 /nfs/dbraw/zinc/39/18/03/719391803.db2.gz URDQDPJUYLBFEK-QWHCGFSZSA-N 2 2 263.341 1.000 20 0 CCADLP COc1cc(N2CCN(CC[NH+](C)C)CC2)cc[nH+]1 ZINC001208130006 790381513 /nfs/dbraw/zinc/38/15/13/790381513.db2.gz QQGGQIZGPZPATH-UHFFFAOYSA-N 2 2 264.373 0.774 20 0 CCADLP Cc1cc(N2C[C@@H](O)[C@@H]([NH3+])C2)nc(C(C)(C)C)[nH+]1 ZINC001167092089 790526348 /nfs/dbraw/zinc/52/63/48/790526348.db2.gz JEKSJNYNRCUKPX-VHSXEESVSA-N 2 2 250.346 0.591 20 0 CCADLP CC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001075369652 790690573 /nfs/dbraw/zinc/69/05/73/790690573.db2.gz WLTGQGOCYKSBMY-CHWSQXEVSA-N 2 2 264.373 0.977 20 0 CCADLP C[C@H](CC[NH2+]CC1CCS(=O)(=O)CC1)[NH+](C)C ZINC000693089892 790819658 /nfs/dbraw/zinc/81/96/58/790819658.db2.gz LRUHCOAGNCTLSD-LLVKDONJSA-N 2 2 262.419 0.741 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCOC2)C1 ZINC000970577095 790879844 /nfs/dbraw/zinc/87/98/44/790879844.db2.gz MFAAFTGZYOYHEK-CHWSQXEVSA-N 2 2 292.383 0.488 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH2+]CCCNC(=O)Cc2c[nH]c[nH+]2)O1 ZINC001167346635 790936721 /nfs/dbraw/zinc/93/67/21/790936721.db2.gz RCBCNNUZYNRAPG-YPMHNXCESA-N 2 2 280.372 0.616 20 0 CCADLP Cc1ncc(C[NH2+]CCCNC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC001167347069 790937242 /nfs/dbraw/zinc/93/72/42/790937242.db2.gz XYKBILRPNWIXQC-UHFFFAOYSA-N 2 2 288.355 0.347 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]CC1CCOCC1 ZINC001167349606 790944139 /nfs/dbraw/zinc/94/41/39/790944139.db2.gz CUMOMQZIQSHIPL-UHFFFAOYSA-N 2 2 280.372 0.475 20 0 CCADLP Cc1cc(C[NH2+]CCCNC(=O)Cc2c[nH]c[nH+]2)on1 ZINC001167353162 790955870 /nfs/dbraw/zinc/95/58/70/790955870.db2.gz TVNWPNHNPABJKY-UHFFFAOYSA-N 2 2 277.328 0.545 20 0 CCADLP C[C@@H](O)C[NH2+]CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001167427928 791061434 /nfs/dbraw/zinc/06/14/34/791061434.db2.gz CZEVAHFYILIOPR-VXGBXAGGSA-N 2 2 268.361 0.311 20 0 CCADLP C[NH+]1CCN(C2C[NH+](Cc3c[nH]c4ncncc34)C2)CC1 ZINC001232657781 805966116 /nfs/dbraw/zinc/96/61/16/805966116.db2.gz BSAXUVJAUGVWDH-UHFFFAOYSA-N 2 2 286.383 0.341 20 0 CCADLP COCCOC[N@@H+]1C[C@@H]2CCN(c3c[nH+]cn3C)[C@@H]2C1 ZINC001277769825 806025475 /nfs/dbraw/zinc/02/54/75/806025475.db2.gz VKVMXACRBBHUPV-QWHCGFSZSA-N 2 2 280.372 0.551 20 0 CCADLP COCCOC[N@H+]1C[C@@H]2CCN(c3c[nH+]cn3C)[C@@H]2C1 ZINC001277769825 806025484 /nfs/dbraw/zinc/02/54/84/806025484.db2.gz VKVMXACRBBHUPV-QWHCGFSZSA-N 2 2 280.372 0.551 20 0 CCADLP C[C@@H](NC(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@@H](C)[NH+]1CCOCC1 ZINC000891516364 791264552 /nfs/dbraw/zinc/26/45/52/791264552.db2.gz GOBGNHNEMUSYEJ-FDYHWXHSSA-N 2 2 284.404 0.132 20 0 CCADLP C[C@H]([C@H](C)NC(=O)NC[C@H]1C[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000891516379 791265104 /nfs/dbraw/zinc/26/51/04/791265104.db2.gz GOBGNHNEMUSYEJ-QNWHQSFQSA-N 2 2 284.404 0.132 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H](C[NH2+]CCCF)C1 ZINC001267057662 791486679 /nfs/dbraw/zinc/48/66/79/791486679.db2.gz BSHRNNQFPNHDTN-NSHDSACASA-N 2 2 268.336 0.750 20 0 CCADLP CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001098217570 791581144 /nfs/dbraw/zinc/58/11/44/791581144.db2.gz AASISUWDBILVTM-RTXFEEFZSA-N 2 2 262.357 0.704 20 0 CCADLP CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001098217570 791581151 /nfs/dbraw/zinc/58/11/51/791581151.db2.gz AASISUWDBILVTM-RTXFEEFZSA-N 2 2 262.357 0.704 20 0 CCADLP C[NH+](C)CC(C)(C)CNC(=O)C[C@H]([NH3+])C(F)F ZINC000724714939 791704055 /nfs/dbraw/zinc/70/40/55/791704055.db2.gz DSBWWUZBPPEIKC-QMMMGPOBSA-N 2 2 251.321 0.673 20 0 CCADLP COC(=O)C[N@@H+]1CCC[C@@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001277820679 806155983 /nfs/dbraw/zinc/15/59/83/806155983.db2.gz COGGTXHIOVIPEI-MRXNPFEDSA-N 2 2 297.443 0.899 20 0 CCADLP COC(=O)C[N@H+]1CCC[C@@]2(CCCN(CC[NH+](C)C)C2)C1 ZINC001277820679 806155987 /nfs/dbraw/zinc/15/59/87/806155987.db2.gz COGGTXHIOVIPEI-MRXNPFEDSA-N 2 2 297.443 0.899 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246025870 807124351 /nfs/dbraw/zinc/12/43/51/807124351.db2.gz UYQJGDPBQDGAIP-ZJUUUORDSA-N 2 2 280.315 0.216 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246025870 807124354 /nfs/dbraw/zinc/12/43/54/807124354.db2.gz UYQJGDPBQDGAIP-ZJUUUORDSA-N 2 2 280.315 0.216 20 0 CCADLP CCCCOC(=O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000382218651 793245142 /nfs/dbraw/zinc/24/51/42/793245142.db2.gz VIEJIKFXEBLJQK-ZDUSSCGKSA-N 2 2 269.389 0.309 20 0 CCADLP CCCCOC(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000382218651 793245149 /nfs/dbraw/zinc/24/51/49/793245149.db2.gz VIEJIKFXEBLJQK-ZDUSSCGKSA-N 2 2 269.389 0.309 20 0 CCADLP c1cc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc2c1COC2 ZINC001235054933 806358077 /nfs/dbraw/zinc/35/80/77/806358077.db2.gz YHZZDUZMKAAIMC-MRXNPFEDSA-N 2 2 273.380 0.854 20 0 CCADLP c1cc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc2c1COC2 ZINC001235054933 806358085 /nfs/dbraw/zinc/35/80/85/806358085.db2.gz YHZZDUZMKAAIMC-MRXNPFEDSA-N 2 2 273.380 0.854 20 0 CCADLP c1[nH]nc2cc(C[N@@H+]3CCN[C@]4(CC[NH2+]C4)C3)ccc12 ZINC001235063111 806366169 /nfs/dbraw/zinc/36/61/69/806366169.db2.gz OHYGULMWVFPOFU-HNNXBMFYSA-N 2 2 271.368 0.700 20 0 CCADLP c1[nH]nc2cc(C[N@H+]3CCN[C@]4(CC[NH2+]C4)C3)ccc12 ZINC001235063111 806366180 /nfs/dbraw/zinc/36/61/80/806366180.db2.gz OHYGULMWVFPOFU-HNNXBMFYSA-N 2 2 271.368 0.700 20 0 CCADLP Cc1ccc(O)c(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)n1 ZINC001235065383 806368684 /nfs/dbraw/zinc/36/86/84/806368684.db2.gz XAMBYODJFBEWJQ-AWEZNQCLSA-N 2 2 262.357 0.233 20 0 CCADLP Cc1ccc(O)c(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)n1 ZINC001235065383 806368692 /nfs/dbraw/zinc/36/86/92/806368692.db2.gz XAMBYODJFBEWJQ-AWEZNQCLSA-N 2 2 262.357 0.233 20 0 CCADLP [NH3+][C@H]1NC(CN2CCCC[C@@]23CC[NH2+]C3)=CS1 ZINC001235126049 806373426 /nfs/dbraw/zinc/37/34/26/806373426.db2.gz RGBOSKNEYZQABD-RYUDHWBXSA-N 2 2 254.403 0.625 20 0 CCADLP CC(C)OCC[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001277945852 806423970 /nfs/dbraw/zinc/42/39/70/806423970.db2.gz JNSQQLCCPVOLQE-GFCCVEGCSA-N 2 2 282.388 0.814 20 0 CCADLP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3C[NH2+]C(C)(C)O3)C[C@@H]2C1 ZINC001235496344 806435802 /nfs/dbraw/zinc/43/58/02/806435802.db2.gz XYIQBKUIKFJNGW-AGIUHOORSA-N 3 2 253.390 0.594 20 0 CCADLP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3C[NH2+]C(C)(C)O3)C[C@@H]2C1 ZINC001235496344 806435805 /nfs/dbraw/zinc/43/58/05/806435805.db2.gz XYIQBKUIKFJNGW-AGIUHOORSA-N 3 2 253.390 0.594 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3C[NH2+]C(C)(C)O3)C[C@@H]2C1 ZINC001235496344 806435809 /nfs/dbraw/zinc/43/58/09/806435809.db2.gz XYIQBKUIKFJNGW-AGIUHOORSA-N 3 2 253.390 0.594 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3C[NH2+]C(C)(C)O3)C[C@@H]2C1 ZINC001235496344 806435813 /nfs/dbraw/zinc/43/58/13/806435813.db2.gz XYIQBKUIKFJNGW-AGIUHOORSA-N 3 2 253.390 0.594 20 0 CCADLP OCCC[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001235534826 806447239 /nfs/dbraw/zinc/44/72/39/806447239.db2.gz AFMDNYVTZBBGNX-ZIAGYGMSSA-N 2 2 261.369 0.828 20 0 CCADLP CC(C)CC(=O)NC[C@]12COC[C@H]1C[N@H+](C[C@H](C)[NH3+])C2 ZINC001235556724 806454544 /nfs/dbraw/zinc/45/45/44/806454544.db2.gz DCDIVRBAMSKHMU-GUTXKFCHSA-N 2 2 283.416 0.444 20 0 CCADLP CC(C)CC(=O)NC[C@]12COC[C@H]1C[N@@H+](C[C@H](C)[NH3+])C2 ZINC001235556724 806454545 /nfs/dbraw/zinc/45/45/45/806454545.db2.gz DCDIVRBAMSKHMU-GUTXKFCHSA-N 2 2 283.416 0.444 20 0 CCADLP CC(C)C(=O)N1CC[C@H]2C[N@H+](C[C@H](C)[NH3+])CC[C@H]21 ZINC001235594023 806466824 /nfs/dbraw/zinc/46/68/24/806466824.db2.gz OXXUZFKEYKGJCS-RWMBFGLXSA-N 2 2 253.390 0.912 20 0 CCADLP CC(C)C(=O)N1CC[C@H]2C[N@@H+](C[C@H](C)[NH3+])CC[C@H]21 ZINC001235594023 806466827 /nfs/dbraw/zinc/46/68/27/806466827.db2.gz OXXUZFKEYKGJCS-RWMBFGLXSA-N 2 2 253.390 0.912 20 0 CCADLP C[C@@H]([NH3+])C[NH+]1CCC2(C[C@H](c3cccnc3)C(=O)N2)CC1 ZINC001235618961 806474629 /nfs/dbraw/zinc/47/46/29/806474629.db2.gz NCSFFVVPTOHABJ-TZMCWYRMSA-N 2 2 288.395 0.867 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1CC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001235659602 806485516 /nfs/dbraw/zinc/48/55/16/806485516.db2.gz HRIBCFVKTBGUQD-FPMFFAJLSA-N 2 2 254.374 0.994 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1CC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001235659602 806485518 /nfs/dbraw/zinc/48/55/18/806485518.db2.gz HRIBCFVKTBGUQD-FPMFFAJLSA-N 2 2 254.374 0.994 20 0 CCADLP CS(=O)(=O)Nc1ccc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235990430 806522383 /nfs/dbraw/zinc/52/23/83/806522383.db2.gz MCLSFJNBQBGSRM-GXTWGEPZSA-N 2 2 295.408 0.981 20 0 CCADLP CS(=O)(=O)Nc1ccc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235990430 806522389 /nfs/dbraw/zinc/52/23/89/806522389.db2.gz MCLSFJNBQBGSRM-GXTWGEPZSA-N 2 2 295.408 0.981 20 0 CCADLP COc1ccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])nc1C ZINC001236001443 806528169 /nfs/dbraw/zinc/52/81/69/806528169.db2.gz GUCBSVOPDQKNGV-ODOQXGPZSA-N 2 2 277.368 0.804 20 0 CCADLP COc1ccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])nc1C ZINC001236001443 806528179 /nfs/dbraw/zinc/52/81/79/806528179.db2.gz GUCBSVOPDQKNGV-ODOQXGPZSA-N 2 2 277.368 0.804 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1ccn2cc[nH+]c2c1 ZINC001236197383 806550087 /nfs/dbraw/zinc/55/00/87/806550087.db2.gz HXDGTLDLXLFBRJ-NEPJUHHUSA-N 2 2 274.324 0.409 20 0 CCADLP COC(=O)[C@H]1C[N@H+](CC2Cc3ccccc3C2)C[C@H]1[NH3+] ZINC001236337839 806569151 /nfs/dbraw/zinc/56/91/51/806569151.db2.gz BHRVOFSRFJTERT-LSDHHAIUSA-N 2 2 274.364 0.834 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](CC2Cc3ccccc3C2)C[C@H]1[NH3+] ZINC001236337839 806569161 /nfs/dbraw/zinc/56/91/61/806569161.db2.gz BHRVOFSRFJTERT-LSDHHAIUSA-N 2 2 274.364 0.834 20 0 CCADLP C[C@@H]([NH3+])CN(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001236387092 806590250 /nfs/dbraw/zinc/59/02/50/806590250.db2.gz UOUCEHILIDJDFB-OAHLLOKOSA-N 3 2 298.475 0.358 20 0 CCADLP FC(F)(F)[C@@H]1C[N@H+](Cc2ccc3n2CC[NH2+]C3)CCN1 ZINC001236983290 806624973 /nfs/dbraw/zinc/62/49/73/806624973.db2.gz YRSGFAVKAACSQV-LBPRGKRZSA-N 2 2 288.317 0.927 20 0 CCADLP FC(F)(F)[C@@H]1C[N@@H+](Cc2ccc3n2CC[NH2+]C3)CCN1 ZINC001236983290 806624977 /nfs/dbraw/zinc/62/49/77/806624977.db2.gz YRSGFAVKAACSQV-LBPRGKRZSA-N 2 2 288.317 0.927 20 0 CCADLP COC(=O)[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)CC1 ZINC001237057537 806635475 /nfs/dbraw/zinc/63/54/75/806635475.db2.gz KXWARZOYCJUQHL-RYUDHWBXSA-N 2 2 270.373 0.986 20 0 CCADLP COC(=O)[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)CC1 ZINC001237057537 806635479 /nfs/dbraw/zinc/63/54/79/806635479.db2.gz KXWARZOYCJUQHL-RYUDHWBXSA-N 2 2 270.373 0.986 20 0 CCADLP [NH3+][C@@H]1NC(CN2CC[C@@H]3[NH2+]CCC[C@@H]3C2)=CS1 ZINC001237379797 806656476 /nfs/dbraw/zinc/65/64/76/806656476.db2.gz DBLJGRGVFIMBHA-ADEWGFFLSA-N 2 2 254.403 0.480 20 0 CCADLP [NH3+]CCS(=O)(=O)Nc1c[nH+]ccc1N1CCCCC1 ZINC001237566732 806682995 /nfs/dbraw/zinc/68/29/95/806682995.db2.gz TYPUBIWZYUQTMR-UHFFFAOYSA-N 2 2 284.385 0.772 20 0 CCADLP CC(C)[C@H]1CCN1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001120558009 798864067 /nfs/dbraw/zinc/86/40/67/798864067.db2.gz PDHSMXXTYFNZRM-CYBMUJFWSA-N 2 2 268.405 0.849 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001120572089 798870286 /nfs/dbraw/zinc/87/02/86/798870286.db2.gz YKRYXCOISOWPAD-UHFFFAOYSA-N 2 2 263.345 0.489 20 0 CCADLP C[NH+](C)CCN1CC[NH+](Cc2cccc(C(N)=O)c2)CC1 ZINC001237694805 806711527 /nfs/dbraw/zinc/71/15/27/806711527.db2.gz NVQBZWYIRCFRGU-UHFFFAOYSA-N 2 2 290.411 0.465 20 0 CCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H](C)[NH2+]1 ZINC001121810467 799069784 /nfs/dbraw/zinc/06/97/84/799069784.db2.gz KIDLMYAFDXPFQN-NXEZZACHSA-N 2 2 250.346 0.896 20 0 CCADLP CC(C)(O)[C@H]([NH3+])C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001121910554 799091090 /nfs/dbraw/zinc/09/10/90/799091090.db2.gz LEDVOOUJUVKOIE-VHSXEESVSA-N 2 2 266.345 0.214 20 0 CCADLP C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC001121995890 799117267 /nfs/dbraw/zinc/11/72/67/799117267.db2.gz YNAPDQFNKOZOKD-WCQYABFASA-N 2 2 265.357 0.531 20 0 CCADLP CC[N@H+](C)CCC(=O)NC[C@H](CO)Nc1cc[nH+]c(C)n1 ZINC001122019162 799123448 /nfs/dbraw/zinc/12/34/48/799123448.db2.gz BCRYAGCIQZLWMK-GFCCVEGCSA-N 2 2 295.387 0.016 20 0 CCADLP CC[N@@H+](C)CCC(=O)NC[C@H](CO)Nc1cc[nH+]c(C)n1 ZINC001122019162 799123450 /nfs/dbraw/zinc/12/34/50/799123450.db2.gz BCRYAGCIQZLWMK-GFCCVEGCSA-N 2 2 295.387 0.016 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC001122139500 799152727 /nfs/dbraw/zinc/15/27/27/799152727.db2.gz BDQPSAKFUWTSER-NYRNMGCKSA-N 2 2 269.295 0.689 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC001122175549 799162409 /nfs/dbraw/zinc/16/24/09/799162409.db2.gz ZPGOVIHZJMGPHF-NWDGAFQWSA-N 2 2 257.378 0.211 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C1CC([NH2+]C)C1 ZINC001122202355 799168156 /nfs/dbraw/zinc/16/81/56/799168156.db2.gz BEANKVGPKURPDV-BPCQOVAHSA-N 2 2 269.389 0.211 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C1CC([NH2+]C)C1 ZINC001122202355 799168158 /nfs/dbraw/zinc/16/81/58/799168158.db2.gz BEANKVGPKURPDV-BPCQOVAHSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC001122615075 799275402 /nfs/dbraw/zinc/27/54/02/799275402.db2.gz IFGAMJKMYGVOOP-JSGCOSHPSA-N 2 2 269.389 0.165 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)co1 ZINC001124879579 799643418 /nfs/dbraw/zinc/64/34/18/799643418.db2.gz WNXYTAGFYYHUCC-GFCCVEGCSA-N 2 2 266.345 0.283 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)co1 ZINC001124879579 799643419 /nfs/dbraw/zinc/64/34/19/799643419.db2.gz WNXYTAGFYYHUCC-GFCCVEGCSA-N 2 2 266.345 0.283 20 0 CCADLP CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]([NH3+])Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001161177075 799682446 /nfs/dbraw/zinc/68/24/46/799682446.db2.gz ZMAKPGPDIWAAFS-MBNYWOFBSA-N 3 2 291.399 0.080 20 0 CCADLP CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]([NH3+])Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001161177075 799682452 /nfs/dbraw/zinc/68/24/52/799682452.db2.gz ZMAKPGPDIWAAFS-MBNYWOFBSA-N 3 2 291.399 0.080 20 0 CCADLP CN(C)c1ncc(C[N@H+](C)CCN2CC[NH+](C)CC2)cn1 ZINC001138351594 799723243 /nfs/dbraw/zinc/72/32/43/799723243.db2.gz SBPXCIUSERVAQB-UHFFFAOYSA-N 2 2 292.431 0.222 20 0 CCADLP CN(C)c1ncc(C[N@@H+](C)CCN2CC[NH+](C)CC2)cn1 ZINC001138351594 799723246 /nfs/dbraw/zinc/72/32/46/799723246.db2.gz SBPXCIUSERVAQB-UHFFFAOYSA-N 2 2 292.431 0.222 20 0 CCADLP CCCn1cc(C[NH+]2CCN(CC[NH+](C)C)CC2)cn1 ZINC001139037651 799775379 /nfs/dbraw/zinc/77/53/79/799775379.db2.gz USUSZGRFIBRUKB-UHFFFAOYSA-N 2 2 279.432 0.972 20 0 CCADLP C[NH+]1CCN(C2CC[NH+](Cc3ccncn3)CC2)CC1 ZINC001140346391 799905718 /nfs/dbraw/zinc/90/57/18/799905718.db2.gz SCBFKLHYGBASOL-UHFFFAOYSA-N 2 2 275.400 0.688 20 0 CCADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cocn1 ZINC001141128907 799982014 /nfs/dbraw/zinc/98/20/14/799982014.db2.gz OBSCCFQQALFJME-UONOGXRCSA-N 2 2 264.373 0.885 20 0 CCADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cocn1 ZINC001141128907 799982018 /nfs/dbraw/zinc/98/20/18/799982018.db2.gz OBSCCFQQALFJME-UONOGXRCSA-N 2 2 264.373 0.885 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)CC[NH+]2CCCCC2)c1 ZINC001142919786 800173070 /nfs/dbraw/zinc/17/30/70/800173070.db2.gz WJIHRKGZSHNLMD-UHFFFAOYSA-N 2 2 264.373 0.955 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]C[C@H]1CCOC1 ZINC001149570962 800277163 /nfs/dbraw/zinc/27/71/63/800277163.db2.gz IQFPQLKGLHBUOL-GFCCVEGCSA-N 2 2 280.372 0.095 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC001150060134 800313394 /nfs/dbraw/zinc/31/33/94/800313394.db2.gz QJRXJHSXGXDKFQ-ZDUSSCGKSA-N 2 2 294.399 0.614 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC001150060134 800313398 /nfs/dbraw/zinc/31/33/98/800313398.db2.gz QJRXJHSXGXDKFQ-ZDUSSCGKSA-N 2 2 294.399 0.614 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1C[N@H+](CCCF)CCCO1 ZINC001150824940 800369818 /nfs/dbraw/zinc/36/98/18/800369818.db2.gz OQRKOOFYFZFALZ-CYBMUJFWSA-N 2 2 298.362 0.450 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1C[N@@H+](CCCF)CCCO1 ZINC001150824940 800369826 /nfs/dbraw/zinc/36/98/26/800369826.db2.gz OQRKOOFYFZFALZ-CYBMUJFWSA-N 2 2 298.362 0.450 20 0 CCADLP CCc1nnc([C@H](C)[NH2+]CCNC(=O)C[NH+]2CCCC2)[nH]1 ZINC001151101173 800399864 /nfs/dbraw/zinc/39/98/64/800399864.db2.gz OZEJNGDNAQMHBB-NSHDSACASA-N 2 2 294.403 0.230 20 0 CCADLP C[C@H](c1ccccc1)[NH+]1CCN(S(=O)(=O)CC[NH3+])CC1 ZINC001239093057 806846456 /nfs/dbraw/zinc/84/64/56/806846456.db2.gz ILVDJTFTXDGZAO-CYBMUJFWSA-N 2 2 297.424 0.654 20 0 CCADLP CCn1ccnc1C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153487931 800633899 /nfs/dbraw/zinc/63/38/99/800633899.db2.gz SVEYBHMNEFETBP-UHFFFAOYSA-N 2 2 276.344 0.006 20 0 CCADLP CC[N@H+](C[C@H](C)O)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001154528903 800794932 /nfs/dbraw/zinc/79/49/32/800794932.db2.gz PKGMCQNNMBLWDF-OLZOCXBDSA-N 2 2 282.388 0.481 20 0 CCADLP CC[N@@H+](C[C@H](C)O)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001154528903 800794936 /nfs/dbraw/zinc/79/49/36/800794936.db2.gz PKGMCQNNMBLWDF-OLZOCXBDSA-N 2 2 282.388 0.481 20 0 CCADLP C[N@@H+]1CCO[C@H](CNc2nc(Cl)nc3c2CC[NH2+]C3)C1 ZINC001155193717 800926490 /nfs/dbraw/zinc/92/64/90/800926490.db2.gz KQHSWLHVUBCAPG-SECBINFHSA-N 2 2 297.790 0.518 20 0 CCADLP C[N@H+]1CCO[C@H](CNc2nc(Cl)nc3c2CC[NH2+]C3)C1 ZINC001155193717 800926497 /nfs/dbraw/zinc/92/64/97/800926497.db2.gz KQHSWLHVUBCAPG-SECBINFHSA-N 2 2 297.790 0.518 20 0 CCADLP CC[N@H+](C[C@@H](C)OC)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155470184 800982832 /nfs/dbraw/zinc/98/28/32/800982832.db2.gz NOUZCNSGTVJSMX-VXGBXAGGSA-N 2 2 282.388 0.814 20 0 CCADLP CC[N@@H+](C[C@@H](C)OC)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155470184 800982836 /nfs/dbraw/zinc/98/28/36/800982836.db2.gz NOUZCNSGTVJSMX-VXGBXAGGSA-N 2 2 282.388 0.814 20 0 CCADLP c1nc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)cc(N2CCCCC2)[nH+]1 ZINC001155511245 800994972 /nfs/dbraw/zinc/99/49/72/800994972.db2.gz UTFUEQDAFMHEOD-JHJVBQTASA-N 2 2 289.383 0.866 20 0 CCADLP Nc1cc(Cl)[nH+]c(NC[C@]23C[NH2+]C[C@H]2COC3)c1 ZINC001155516928 800997249 /nfs/dbraw/zinc/99/72/49/800997249.db2.gz ORSQYUSKCGTBDJ-UFBFGSQYSA-N 2 2 268.748 0.965 20 0 CCADLP Cc1nc(NC[C@@]23C[NH2+][C@@H](CO2)C3)c2c([nH+]1)CCC2 ZINC001155543963 801003428 /nfs/dbraw/zinc/00/34/28/801003428.db2.gz WLJUHQDBJYCJOK-QMTHXVAHSA-N 2 2 260.341 0.817 20 0 CCADLP CCN(CC)c1cc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)nc[nH+]1 ZINC001155575170 801012257 /nfs/dbraw/zinc/01/22/57/801012257.db2.gz LDCJKLDJYDTVDW-IINYFYTJSA-N 2 2 290.371 0.313 20 0 CCADLP CCN(CC)c1cc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)nc[nH+]1 ZINC001155575171 801012965 /nfs/dbraw/zinc/01/29/65/801012965.db2.gz LDCJKLDJYDTVDW-QMTHXVAHSA-N 2 2 290.371 0.313 20 0 CCADLP Cc1nc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)c(C)c(C)[nH+]1 ZINC001155582097 801016604 /nfs/dbraw/zinc/01/66/04/801016604.db2.gz YREIFDRCZLIYFW-ZWNOBZJWSA-N 2 2 261.329 0.392 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCCC[NH2+]CCCF ZINC001157257570 801333739 /nfs/dbraw/zinc/33/37/39/801333739.db2.gz UQSICWHPDCMOMI-UHFFFAOYSA-N 2 2 256.325 0.798 20 0 CCADLP C[NH+]1CCN(C(=O)[C@H]([NH3+])Cc2cccc(O)c2)CC1 ZINC001157451596 801387087 /nfs/dbraw/zinc/38/70/87/801387087.db2.gz ZECWUWIMUBDYII-CYBMUJFWSA-N 2 2 263.341 0.036 20 0 CCADLP CCN(c1nc(Cl)nc2c1C[NH2+]CC2)C1C[NH+](C)C1 ZINC001157454302 801387309 /nfs/dbraw/zinc/38/73/09/801387309.db2.gz UMYMSUGNNMXRRG-UHFFFAOYSA-N 2 2 281.791 0.916 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC001157579138 801426138 /nfs/dbraw/zinc/42/61/38/801426138.db2.gz JVHQDGDYJXCLGR-AWEZNQCLSA-N 3 2 282.432 0.387 20 0 CCADLP C[C@@H]1CCN(C(=O)c2ccc3[nH+]c(N)[nH]c3c2)C[C@@H]1[NH3+] ZINC001157829535 801496468 /nfs/dbraw/zinc/49/64/68/801496468.db2.gz VFEANTRNIFDFTJ-SCZZXKLOSA-N 2 2 273.340 0.954 20 0 CCADLP CCOc1cnc(NC(=[NH2+])N2CC[NH+](C)CC2)nc1 ZINC001157914308 801519495 /nfs/dbraw/zinc/51/94/95/801519495.db2.gz BBTWHJQBHXYJHS-UHFFFAOYSA-N 2 2 264.333 0.469 20 0 CCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])c1ccccc1 ZINC001157998943 801550141 /nfs/dbraw/zinc/55/01/41/801550141.db2.gz KWLUXUMZIIFDOF-STQMWFEESA-N 2 2 291.351 0.050 20 0 CCADLP CSc1nc(Cl)cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158203412 801591374 /nfs/dbraw/zinc/59/13/74/801591374.db2.gz LOSCLTFEDHVUSA-SSDOTTSWSA-N 2 2 299.787 0.900 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc(Cl)nn1 ZINC001158204555 801593209 /nfs/dbraw/zinc/59/32/09/801593209.db2.gz QSNBUWIIHLCXES-SSDOTTSWSA-N 2 2 253.693 0.178 20 0 CCADLP Nc1cc(Cl)ncc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158206190 801594783 /nfs/dbraw/zinc/59/47/83/801594783.db2.gz BWFKQDNFQKXMLL-SSDOTTSWSA-N 2 2 267.720 0.365 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc(OCC2CC2)ncn1 ZINC001158206371 801594851 /nfs/dbraw/zinc/59/48/51/801594851.db2.gz LEYDBPVRQAJYCK-LLVKDONJSA-N 2 2 289.339 0.313 20 0 CCADLP O=C1C[C@@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)CO1 ZINC001158247548 801602893 /nfs/dbraw/zinc/60/28/93/801602893.db2.gz CKGIVASZZLDHAT-SNVBAGLBSA-N 2 2 262.313 0.219 20 0 CCADLP NC(=O)c1cccc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158261486 801609281 /nfs/dbraw/zinc/60/92/81/801609281.db2.gz MYMJUXAYJLNQPI-LLVKDONJSA-N 2 2 289.383 0.182 20 0 CCADLP NC(=O)c1cccc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158261486 801609285 /nfs/dbraw/zinc/60/92/85/801609285.db2.gz MYMJUXAYJLNQPI-LLVKDONJSA-N 2 2 289.383 0.182 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2C[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC001158313210 801619340 /nfs/dbraw/zinc/61/93/40/801619340.db2.gz HXBZCDGWPJZPKP-BFHYXJOUSA-N 3 2 274.368 0.079 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2CC[C@@H]3CCO[C@H]3C2)cc1 ZINC001158339215 801622807 /nfs/dbraw/zinc/62/28/07/801622807.db2.gz KOCJCHGDLIZBMO-YUELXQCFSA-N 2 2 289.379 0.896 20 0 CCADLP c1cc(N2CCOCC2)[nH+]c(N2CC[N@H+]3CC[C@@H]3C2)c1 ZINC001158435026 801648840 /nfs/dbraw/zinc/64/88/40/801648840.db2.gz VBEMQPURYJKVIB-CYBMUJFWSA-N 2 2 274.368 0.813 20 0 CCADLP c1cc(N2CCOCC2)[nH+]c(N2CC[N@@H+]3CC[C@@H]3C2)c1 ZINC001158435026 801648843 /nfs/dbraw/zinc/64/88/43/801648843.db2.gz VBEMQPURYJKVIB-CYBMUJFWSA-N 2 2 274.368 0.813 20 0 CCADLP Cc1c[nH+]c2n1CCC21CCN(C(=O)C[C@H](O)C[NH3+])CC1 ZINC001159381536 801799429 /nfs/dbraw/zinc/79/94/29/801799429.db2.gz AQJIOOVKLHBPOC-LBPRGKRZSA-N 2 2 292.383 0.165 20 0 CCADLP Cc1nc(N(C)C)nc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)[nH+]1 ZINC001159496450 801822263 /nfs/dbraw/zinc/82/22/63/801822263.db2.gz DEYPWOHNYGMNDH-WPRPVWTQSA-N 2 2 266.349 0.035 20 0 CCADLP O=C(NCCC[NH2+]CCCF)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160326467 801930531 /nfs/dbraw/zinc/93/05/31/801930531.db2.gz LFXPAQMORWXHNI-GHMZBOCLSA-N 2 2 268.336 0.969 20 0 CCADLP O=C(NCCC[NH2+]CCCF)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160326467 801930533 /nfs/dbraw/zinc/93/05/33/801930533.db2.gz LFXPAQMORWXHNI-GHMZBOCLSA-N 2 2 268.336 0.969 20 0 CCADLP C[N@@H+]1CCc2nc(C(=O)N3CCC([NH3+])CC3)sc2C1 ZINC001160523110 801960487 /nfs/dbraw/zinc/96/04/87/801960487.db2.gz TXZJUBKRERLIPT-UHFFFAOYSA-N 2 2 280.397 0.694 20 0 CCADLP C[N@H+]1CCc2nc(C(=O)N3CCC([NH3+])CC3)sc2C1 ZINC001160523110 801960492 /nfs/dbraw/zinc/96/04/92/801960492.db2.gz TXZJUBKRERLIPT-UHFFFAOYSA-N 2 2 280.397 0.694 20 0 CCADLP CC(C)(C)[NH+]1CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC1 ZINC001160577425 801973903 /nfs/dbraw/zinc/97/39/03/801973903.db2.gz LKZXWSMKNOMUMA-JMSVASOKSA-N 3 2 280.416 0.151 20 0 CCADLP COC(=O)[C@]1(C)CCCN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001160635221 801984224 /nfs/dbraw/zinc/98/42/24/801984224.db2.gz HPWDHGOPAWBVTO-BXUZGUMPSA-N 2 2 294.355 0.081 20 0 CCADLP [NH3+]CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001160692806 802002808 /nfs/dbraw/zinc/00/28/08/802002808.db2.gz DMDABSNVPOILAE-RYUDHWBXSA-N 3 2 279.388 0.572 20 0 CCADLP [NH3+][C@@H](C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1CC[NH2+]CC1 ZINC001160692848 802003055 /nfs/dbraw/zinc/00/30/55/802003055.db2.gz FYKHLMFOBWWOAW-CHWSQXEVSA-N 3 2 291.399 0.443 20 0 CCADLP [NH3+]C1(C(=O)N2CC[N@@H+]3CCc4ccccc4[C@H]3C2)CC1 ZINC001160850178 802031039 /nfs/dbraw/zinc/03/10/39/802031039.db2.gz YHMQTJFAIXPQEK-CQSZACIVSA-N 2 2 271.364 0.919 20 0 CCADLP [NH3+]C1(C(=O)N2CC[N@H+]3CCc4ccccc4[C@H]3C2)CC1 ZINC001160850178 802031047 /nfs/dbraw/zinc/03/10/47/802031047.db2.gz YHMQTJFAIXPQEK-CQSZACIVSA-N 2 2 271.364 0.919 20 0 CCADLP CC1(C)CN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CC(C)(C)O1 ZINC001160968753 802054802 /nfs/dbraw/zinc/05/48/02/802054802.db2.gz WAZXDJFRHVZOQP-SDDRHHMPSA-N 2 2 281.400 0.352 20 0 CCADLP Cc1cc2c(nc[nH+]c2NCCN(CC[NH3+])N(O)N=O)[nH]1 ZINC001161088075 802087761 /nfs/dbraw/zinc/08/77/61/802087761.db2.gz WIHPXVGNOUSMKB-UHFFFAOYSA-N 2 2 294.319 0.227 20 0 CCADLP Cc1ccc(CN(C)C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc1C ZINC001161096788 802089536 /nfs/dbraw/zinc/08/95/36/802089536.db2.gz LDNVLXPCPHJRBP-KGLIPLIRSA-N 2 2 261.369 0.951 20 0 CCADLP CCN(C(=O)[C@@H]([NH3+])CCCC[NH+](C)C)C1C[NH+](C)C1 ZINC001161137987 802099197 /nfs/dbraw/zinc/09/91/97/802099197.db2.gz JVAYRQZKNXYSOP-ZDUSSCGKSA-N 3 2 270.421 0.208 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001161215001 802109085 /nfs/dbraw/zinc/10/90/85/802109085.db2.gz KDBKNCSMHQUHSC-GFCCVEGCSA-N 2 2 264.373 0.950 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2C[NH2+]CC(F)(F)C2)C[C@H](C)[NH2+]1 ZINC001161229688 802112095 /nfs/dbraw/zinc/11/20/95/802112095.db2.gz QTWCJLXFJHSMCT-GUBZILKMSA-N 2 2 261.316 0.440 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)CCCCCCC[NH3+] ZINC001161238386 802113835 /nfs/dbraw/zinc/11/38/35/802113835.db2.gz SVDFKIQODPYAJB-ZDUSSCGKSA-N 2 2 299.415 0.601 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)CCCCCCC[NH3+] ZINC001161238386 802113838 /nfs/dbraw/zinc/11/38/38/802113838.db2.gz SVDFKIQODPYAJB-ZDUSSCGKSA-N 2 2 299.415 0.601 20 0 CCADLP O=C(NCCC[NH2+]CCCF)[C@@H]1CCc2c[nH+]cn2C1 ZINC001161315215 802124136 /nfs/dbraw/zinc/12/41/36/802124136.db2.gz ONQYZOSJRJMYGK-GFCCVEGCSA-N 2 2 282.363 0.901 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCCC1=CC[N@H+](CCCO)CC1 ZINC001161336224 802131371 /nfs/dbraw/zinc/13/13/71/802131371.db2.gz OTLFCIWZNCUUOA-UHFFFAOYSA-N 2 2 292.383 0.473 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCCC1=CC[N@@H+](CCCO)CC1 ZINC001161336224 802131374 /nfs/dbraw/zinc/13/13/74/802131374.db2.gz OTLFCIWZNCUUOA-UHFFFAOYSA-N 2 2 292.383 0.473 20 0 CCADLP C[C@@]1(C[NH3+])CCCN(C(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)C1 ZINC001161486775 802162214 /nfs/dbraw/zinc/16/22/14/802162214.db2.gz AWPKUSHBVAKOCN-ZBFHGGJFSA-N 3 2 290.411 0.846 20 0 CCADLP Cc1nc2c(o1)CCN(C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C2 ZINC001161523673 802169910 /nfs/dbraw/zinc/16/99/10/802169910.db2.gz PCGGWGTVKBJHOT-JTQLQIEISA-N 2 2 275.312 0.161 20 0 CCADLP CCOC(=O)c1c(C[NH3+])ncn1-c1ccc(N)[nH+]c1 ZINC001162537052 802362260 /nfs/dbraw/zinc/36/22/60/802362260.db2.gz FOYIOKIQZLEYDC-UHFFFAOYSA-N 2 2 261.285 0.485 20 0 CCADLP C1=C[C@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)[C@H]2C[NH2+]C[C@@H]12 ZINC001162797654 802421237 /nfs/dbraw/zinc/42/12/37/802421237.db2.gz OEZNLFUTIHRJAZ-SNPRPXQTSA-N 3 2 285.395 0.677 20 0 CCADLP Cc1cc(C)c(C(=O)NCCC[NH2+][C@@H](C)C(N)=O)c(C)[nH+]1 ZINC001162910030 802434180 /nfs/dbraw/zinc/43/41/80/802434180.db2.gz HKALGCLTCHPKAN-LBPRGKRZSA-N 2 2 292.383 0.590 20 0 CCADLP CC[C@@H](CO)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001163045251 802467041 /nfs/dbraw/zinc/46/70/41/802467041.db2.gz PKTBPEJRCPQUOC-NSHDSACASA-N 2 2 250.346 0.674 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCCC[NH2+]CCF ZINC001163044094 802467097 /nfs/dbraw/zinc/46/70/97/802467097.db2.gz IVHZEHIIVHHBLO-UHFFFAOYSA-N 2 2 256.325 0.418 20 0 CCADLP O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2cc(N3CCCC3)[nH+]cn2)N1 ZINC001163239161 802512770 /nfs/dbraw/zinc/51/27/70/802512770.db2.gz RICAFIXJQDKEMZ-IINYFYTJSA-N 2 2 288.355 0.067 20 0 CCADLP COCCOc1cc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)cc[nH+]1 ZINC001163251371 802518582 /nfs/dbraw/zinc/51/85/82/802518582.db2.gz AZDZFVJURQSBKN-BXUZGUMPSA-N 2 2 292.339 0.097 20 0 CCADLP c1nc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)cc(N2CCCC2)[nH+]1 ZINC001163335965 802536059 /nfs/dbraw/zinc/53/60/59/802536059.db2.gz FNKSIWFWUAKOBE-SUNKGSAMSA-N 2 2 275.356 0.618 20 0 CCADLP CN(c1ccc(F)c(-n2cc[nH+]c2)c1)S(=O)(=O)CC[NH3+] ZINC001164299857 802711799 /nfs/dbraw/zinc/71/17/99/802711799.db2.gz AIBNSKRWDYADAB-UHFFFAOYSA-N 2 2 298.343 0.736 20 0 CCADLP FC1(F)C[NH2+]CCN(c2cc3c(nn2)CC[NH2+]C3)C1 ZINC001164498238 802746536 /nfs/dbraw/zinc/74/65/36/802746536.db2.gz PHOHRRBPSMVMHL-UHFFFAOYSA-N 2 2 269.299 0.167 20 0 CCADLP Cc1nc(-n2cncn2)cc(N2C[C@@H](C[NH3+])CC[C@@H]2C)[nH+]1 ZINC001164474650 802746683 /nfs/dbraw/zinc/74/66/83/802746683.db2.gz SUCNWUSITIDWLQ-CMPLNLGQSA-N 2 2 287.371 0.929 20 0 CCADLP CCOCC[NH2+]CCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001166402986 802905311 /nfs/dbraw/zinc/90/53/11/802905311.db2.gz SZMFGUOIXGOMCZ-GFCCVEGCSA-N 2 2 294.399 0.962 20 0 CCADLP [NH3+][C@@H]1CN(c2cc(N3CCCCC3)[nH+]cn2)C[C@@H]1F ZINC001166930112 802982064 /nfs/dbraw/zinc/98/20/64/802982064.db2.gz MFWNDVWMLCUSNA-WDEREUQCSA-N 2 2 265.336 0.952 20 0 CCADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCO[C@@H](C[NH3+])C1 ZINC001166939688 802985716 /nfs/dbraw/zinc/98/57/16/802985716.db2.gz MSIXAOWFICMMRL-OOPCZODUSA-N 2 2 291.351 0.740 20 0 CCADLP C[C@@H](O)CCC[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001204076066 803062302 /nfs/dbraw/zinc/06/23/02/803062302.db2.gz IMZAPXRHWQATTE-CYBMUJFWSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@H](O)C[NH2+]CC1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001205119547 803118636 /nfs/dbraw/zinc/11/86/36/803118636.db2.gz VLXZLUDQENISPY-LBPRGKRZSA-N 2 2 294.399 0.551 20 0 CCADLP CCn1cc(C[N@H+](C)CCN2CC[NH+](C)CC2)cn1 ZINC001205545154 803147323 /nfs/dbraw/zinc/14/73/23/803147323.db2.gz XYQSQYIQQMZUDT-UHFFFAOYSA-N 2 2 265.405 0.582 20 0 CCADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@](O)(C[NH3+])C2)C1 ZINC001205665469 803152616 /nfs/dbraw/zinc/15/26/16/803152616.db2.gz RMUDTGCCWRKVMJ-ZIAGYGMSSA-N 3 2 255.406 0.504 20 0 CCADLP C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@](O)(C[NH3+])C2)C1 ZINC001205665469 803152620 /nfs/dbraw/zinc/15/26/20/803152620.db2.gz RMUDTGCCWRKVMJ-ZIAGYGMSSA-N 3 2 255.406 0.504 20 0 CCADLP C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)C1 ZINC001205665469 803152622 /nfs/dbraw/zinc/15/26/22/803152622.db2.gz RMUDTGCCWRKVMJ-ZIAGYGMSSA-N 3 2 255.406 0.504 20 0 CCADLP C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)C1 ZINC001205665469 803152623 /nfs/dbraw/zinc/15/26/23/803152623.db2.gz RMUDTGCCWRKVMJ-ZIAGYGMSSA-N 3 2 255.406 0.504 20 0 CCADLP COc1ncccc1C[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205672290 803152707 /nfs/dbraw/zinc/15/27/07/803152707.db2.gz HXBFEVFFXFSGSE-AWEZNQCLSA-N 2 2 265.357 0.766 20 0 CCADLP COc1ncccc1C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205672290 803152712 /nfs/dbraw/zinc/15/27/12/803152712.db2.gz HXBFEVFFXFSGSE-AWEZNQCLSA-N 2 2 265.357 0.766 20 0 CCADLP COc1ccnc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)c1 ZINC001205688641 803155777 /nfs/dbraw/zinc/15/57/77/803155777.db2.gz JQXNIRWKZGNTML-AWEZNQCLSA-N 2 2 265.357 0.766 20 0 CCADLP COc1ccnc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c1 ZINC001205688641 803155781 /nfs/dbraw/zinc/15/57/81/803155781.db2.gz JQXNIRWKZGNTML-AWEZNQCLSA-N 2 2 265.357 0.766 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2ccc3c(n2)OCCO3)C1 ZINC001205724929 803165655 /nfs/dbraw/zinc/16/56/55/803165655.db2.gz AWBPXTUUWMXULE-OAHLLOKOSA-N 2 2 293.367 0.529 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccc3c(n2)OCCO3)C1 ZINC001205724929 803165656 /nfs/dbraw/zinc/16/56/56/803165656.db2.gz AWBPXTUUWMXULE-OAHLLOKOSA-N 2 2 293.367 0.529 20 0 CCADLP [NH3+]C[C@H](O)Cc1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001206019771 803197236 /nfs/dbraw/zinc/19/72/36/803197236.db2.gz WPOBCYVPOSFTOA-GFCCVEGCSA-N 2 2 285.307 0.784 20 0 CCADLP COc1ccc2c(c1)[nH]nc2C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206491064 803252780 /nfs/dbraw/zinc/25/27/80/803252780.db2.gz FZHCNZNOUJVNMD-LKFCYVNXSA-N 2 2 276.340 0.323 20 0 CCADLP COc1ccc2c(c1)[nH]nc2C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206491064 803252784 /nfs/dbraw/zinc/25/27/84/803252784.db2.gz FZHCNZNOUJVNMD-LKFCYVNXSA-N 2 2 276.340 0.323 20 0 CCADLP CCN(CC)c1ncc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)s1 ZINC001206518679 803256833 /nfs/dbraw/zinc/25/68/33/803256833.db2.gz DRARBJUFLGNDOU-JQWIXIFHSA-N 2 2 284.429 0.741 20 0 CCADLP CCN(CC)c1ncc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)s1 ZINC001206518679 803256836 /nfs/dbraw/zinc/25/68/36/803256836.db2.gz DRARBJUFLGNDOU-JQWIXIFHSA-N 2 2 284.429 0.741 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C[C@@H]1O ZINC001206520771 803257908 /nfs/dbraw/zinc/25/79/08/803257908.db2.gz VUKXOHOSHCEZPM-WFASDCNBSA-N 2 2 290.342 0.763 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C[C@@H]1O ZINC001206520771 803257913 /nfs/dbraw/zinc/25/79/13/803257913.db2.gz VUKXOHOSHCEZPM-WFASDCNBSA-N 2 2 290.342 0.763 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc3nsnc3c2)C[C@@H]1O ZINC001206519102 803258125 /nfs/dbraw/zinc/25/81/25/803258125.db2.gz IOVMJYSJUSMIMJ-CABZTGNLSA-N 2 2 264.354 0.443 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc3nsnc3c2)C[C@@H]1O ZINC001206519102 803258130 /nfs/dbraw/zinc/25/81/30/803258130.db2.gz IOVMJYSJUSMIMJ-CABZTGNLSA-N 2 2 264.354 0.443 20 0 CCADLP COc1ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(C)n1 ZINC001206530084 803260904 /nfs/dbraw/zinc/26/09/04/803260904.db2.gz BJAQPRLBKITPSJ-RYUDHWBXSA-N 2 2 251.330 0.150 20 0 CCADLP COc1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c(C)n1 ZINC001206530084 803260908 /nfs/dbraw/zinc/26/09/08/803260908.db2.gz BJAQPRLBKITPSJ-RYUDHWBXSA-N 2 2 251.330 0.150 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2[nH]nc3cc(Cl)ccc32)C[C@@H]1O ZINC001206535209 803263275 /nfs/dbraw/zinc/26/32/75/803263275.db2.gz GGJNIICLPPFKRC-SDBXPKJASA-N 2 2 280.759 0.968 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2[nH]nc3cc(Cl)ccc32)C[C@@H]1O ZINC001206535209 803263280 /nfs/dbraw/zinc/26/32/80/803263280.db2.gz GGJNIICLPPFKRC-SDBXPKJASA-N 2 2 280.759 0.968 20 0 CCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2C[C@@H]1CCC[NH+](C)C1 ZINC001276498703 803295085 /nfs/dbraw/zinc/29/50/85/803295085.db2.gz ZBMOWAGPLOBRGL-OAGGEKHMSA-N 3 2 280.460 0.648 20 0 CCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2C[C@@H]1CCC[NH+](C)C1 ZINC001276498703 803295090 /nfs/dbraw/zinc/29/50/90/803295090.db2.gz ZBMOWAGPLOBRGL-OAGGEKHMSA-N 3 2 280.460 0.648 20 0 CCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[NH+]2C[C@@H]1CCC[N@H+](C)C1 ZINC001276498703 803295097 /nfs/dbraw/zinc/29/50/97/803295097.db2.gz ZBMOWAGPLOBRGL-OAGGEKHMSA-N 3 2 280.460 0.648 20 0 CCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[NH+]2C[C@@H]1CCC[N@@H+](C)C1 ZINC001276498703 803295104 /nfs/dbraw/zinc/29/51/04/803295104.db2.gz ZBMOWAGPLOBRGL-OAGGEKHMSA-N 3 2 280.460 0.648 20 0 CCADLP CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206918992 803306371 /nfs/dbraw/zinc/30/63/71/803306371.db2.gz CAXRBKFXUCHUOT-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206918992 803306378 /nfs/dbraw/zinc/30/63/78/803306378.db2.gz CAXRBKFXUCHUOT-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP C[NH+]1CCN(C2C[NH+](CCOc3ccccc3)C2)CC1 ZINC001209299891 803590566 /nfs/dbraw/zinc/59/05/66/803590566.db2.gz JFYZKUBQMQAPQC-UHFFFAOYSA-N 2 2 275.396 0.997 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001075906833 814949500 /nfs/dbraw/zinc/94/95/00/814949500.db2.gz BYIZRQBVZVUNGR-FMCLSXCISA-N 2 2 290.367 0.038 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001075906833 814949507 /nfs/dbraw/zinc/94/95/07/814949507.db2.gz BYIZRQBVZVUNGR-FMCLSXCISA-N 2 2 290.367 0.038 20 0 CCADLP CC1(C)CN(CCC[NH+]2CCCCC2)CC[N@@H+]1CC(N)=O ZINC001209450798 803604999 /nfs/dbraw/zinc/60/49/99/803604999.db2.gz LXUSPUXANOFRRK-UHFFFAOYSA-N 2 2 296.459 0.744 20 0 CCADLP CC1(C)CN(CCC[NH+]2CCCCC2)CC[N@H+]1CC(N)=O ZINC001209450798 803605002 /nfs/dbraw/zinc/60/50/02/803605002.db2.gz LXUSPUXANOFRRK-UHFFFAOYSA-N 2 2 296.459 0.744 20 0 CCADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1c[nH+]ccc1N ZINC001209731069 803626492 /nfs/dbraw/zinc/62/64/92/803626492.db2.gz UQDQGGJDCQWDJJ-JKSUJKDBSA-N 3 2 289.427 0.704 20 0 CCADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1c[nH+]ccc1N ZINC001209731069 803626495 /nfs/dbraw/zinc/62/64/95/803626495.db2.gz UQDQGGJDCQWDJJ-JKSUJKDBSA-N 3 2 289.427 0.704 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209835988 803632116 /nfs/dbraw/zinc/63/21/16/803632116.db2.gz HIMRXZTZCPTRNP-NEPJUHHUSA-N 2 2 280.372 0.568 20 0 CCADLP Nc1ccc2nnn(-c3cc[nH+]c(N4CC[NH2+]CC4)c3)c2c1 ZINC001210269479 803644603 /nfs/dbraw/zinc/64/46/03/803644603.db2.gz UXMZBCGNHSGPBZ-UHFFFAOYSA-N 2 2 295.350 0.807 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]([NH2+]CCCF)C1 ZINC001210302333 803646575 /nfs/dbraw/zinc/64/65/75/803646575.db2.gz AHLNDZOVNFEHEV-LLVKDONJSA-N 2 2 268.336 0.892 20 0 CCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCF)C[C@H]1OC ZINC001213678269 803700349 /nfs/dbraw/zinc/70/03/49/803700349.db2.gz MQUSPLOESGGSFW-VXGBXAGGSA-N 2 2 275.368 0.113 20 0 CCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CCF)C[C@H]1OC ZINC001213678269 803700353 /nfs/dbraw/zinc/70/03/53/803700353.db2.gz MQUSPLOESGGSFW-VXGBXAGGSA-N 2 2 275.368 0.113 20 0 CCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1OC ZINC001213678269 803700356 /nfs/dbraw/zinc/70/03/56/803700356.db2.gz MQUSPLOESGGSFW-VXGBXAGGSA-N 2 2 275.368 0.113 20 0 CCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1OC ZINC001213678269 803700361 /nfs/dbraw/zinc/70/03/61/803700361.db2.gz MQUSPLOESGGSFW-VXGBXAGGSA-N 2 2 275.368 0.113 20 0 CCADLP Cc1cc(C[C@H](C)NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)on1 ZINC001218500189 803966866 /nfs/dbraw/zinc/96/68/66/803966866.db2.gz CSMOQXNCBQGKKT-QPUJVOFHSA-N 2 2 277.328 0.323 20 0 CCADLP [NH3+]C1(C(=O)Nc2noc3cccnc32)CC[NH2+]CC1 ZINC001218504118 803971518 /nfs/dbraw/zinc/97/15/18/803971518.db2.gz SQNSQSFVGNJBCK-UHFFFAOYSA-N 2 2 261.285 0.242 20 0 CCADLP CCOC(=O)c1c(C)csc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218531319 803990900 /nfs/dbraw/zinc/99/09/00/803990900.db2.gz GIWPJMHQSDIOOH-IUCAKERBSA-N 2 2 297.380 0.718 20 0 CCADLP CCOC(=O)c1c(C)csc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218532175 803991859 /nfs/dbraw/zinc/99/18/59/803991859.db2.gz LSXRDQVFECUNAO-BDAKNGLRSA-N 2 2 297.380 0.861 20 0 CCADLP Nc1cccnc1NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001218537880 803993082 /nfs/dbraw/zinc/99/30/82/803993082.db2.gz ACTXTQVLGVFPNX-LBPRGKRZSA-N 2 2 271.324 0.875 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc(C(F)(F)F)n1 ZINC001218539725 803994062 /nfs/dbraw/zinc/99/40/62/803994062.db2.gz NNDMQQIHIOKQCF-BQBZGAKWSA-N 2 2 274.246 0.586 20 0 CCADLP Cc1sc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c(C(N)=O)c1C ZINC001218547574 803999414 /nfs/dbraw/zinc/99/94/14/803999414.db2.gz JNKBHUPOZLBGPA-SFYZADRCSA-N 2 2 282.369 0.092 20 0 CCADLP Cc1cc(C)c(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)cn1 ZINC001218593196 804026087 /nfs/dbraw/zinc/02/60/87/804026087.db2.gz FSHSDDOVNDTGQL-GYSYKLTISA-N 2 2 260.341 0.859 20 0 CCADLP COc1ncc(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)cn1 ZINC001218593767 804026388 /nfs/dbraw/zinc/02/63/88/804026388.db2.gz ODYSRUXMCSOZGM-GFCCVEGCSA-N 2 2 287.323 0.696 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cnc3ccc(O)cc3c2)C1 ZINC001218639446 804053286 /nfs/dbraw/zinc/05/32/86/804053286.db2.gz FEOKYWQZJFLQAP-RNCFNFMXSA-N 2 2 272.308 0.568 20 0 CCADLP Cc1cc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)cc(=O)o1 ZINC001218681789 804079411 /nfs/dbraw/zinc/07/94/11/804079411.db2.gz IQDHFWNPWWCICJ-NSHDSACASA-N 2 2 276.296 0.190 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cnccc1OC(F)F ZINC001218740062 804101510 /nfs/dbraw/zinc/10/15/10/804101510.db2.gz OZWKLBVIKWGVQH-LURJTMIESA-N 2 2 260.244 0.298 20 0 CCADLP CC(=O)OC[C@H]([NH3+])C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC001218740910 804102029 /nfs/dbraw/zinc/10/20/29/804102029.db2.gz HNXQMCYRMPWXNI-NSHDSACASA-N 2 2 289.295 0.096 20 0 CCADLP COc1cccc2ncnc(NC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)c21 ZINC001218790653 804120962 /nfs/dbraw/zinc/12/09/62/804120962.db2.gz NWAOLRXLDZUFRA-SCZZXKLOSA-N 2 2 287.323 0.266 20 0 CCADLP O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1C[NH2+]C[C@@H]1O ZINC001218849247 804138948 /nfs/dbraw/zinc/13/89/48/804138948.db2.gz XSKQHAJLKSLZDS-KBPBESRZSA-N 2 2 286.335 0.450 20 0 CCADLP Cn1cc2cccc(NC(=O)[C@@H]([NH3+])Cc3c[nH+]cn3C)c2n1 ZINC001218888418 804148077 /nfs/dbraw/zinc/14/80/77/804148077.db2.gz FBMUMGHJRDZXGS-LBPRGKRZSA-N 2 2 298.350 0.815 20 0 CCADLP CC(C)(C[NH3+])c1ccc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc1 ZINC001218895412 804151437 /nfs/dbraw/zinc/15/14/37/804151437.db2.gz PQGBPUBQICDZPI-YPMHNXCESA-N 3 2 276.384 0.551 20 0 CCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)Nc2ccc3c(c2)NCCC3)C1 ZINC001218903917 804152859 /nfs/dbraw/zinc/15/28/59/804152859.db2.gz KZFJJRPVJLNYPY-GWCFXTLKSA-N 2 2 260.341 0.672 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc2nccnc21 ZINC001218910082 804154521 /nfs/dbraw/zinc/15/45/21/804154521.db2.gz DMWSSXDFXLGOQL-JTQLQIEISA-N 2 2 282.307 0.861 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccccc1O ZINC001218920433 804158208 /nfs/dbraw/zinc/15/82/08/804158208.db2.gz LLQYTRSJOAQQBN-JTQLQIEISA-N 2 2 260.297 0.634 20 0 CCADLP COc1ccc(CO)c(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)c1 ZINC001219074349 804192322 /nfs/dbraw/zinc/19/23/22/804192322.db2.gz GTRGJIIDFFAMKF-GFCCVEGCSA-N 2 2 290.323 0.419 20 0 CCADLP COc1ccc(CO)c(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)c1 ZINC001219074350 804192564 /nfs/dbraw/zinc/19/25/64/804192564.db2.gz GTRGJIIDFFAMKF-LBPRGKRZSA-N 2 2 290.323 0.419 20 0 CCADLP COc1cnc2c(cccc2NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c1 ZINC001219182005 804226265 /nfs/dbraw/zinc/22/62/65/804226265.db2.gz JIRCKXBIIHVIEZ-RYUDHWBXSA-N 2 2 286.335 0.729 20 0 CCADLP COCCCN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)c1ccccc1N ZINC001219277985 804256223 /nfs/dbraw/zinc/25/62/23/804256223.db2.gz HLPNZPAAVIVGTH-YPMHNXCESA-N 2 2 292.383 0.328 20 0 CCADLP [NH3+]C1(C(=O)Nc2cccc3c2NC(=O)NC3)CC[NH2+]CC1 ZINC001219334481 804275755 /nfs/dbraw/zinc/27/57/55/804275755.db2.gz HVOAPLCCMXAQNN-UHFFFAOYSA-N 2 2 289.339 0.341 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc2c[nH]nc2c1Cl ZINC001219441884 804313021 /nfs/dbraw/zinc/31/30/21/804313021.db2.gz VKCYDSORZGJCSV-ZETCQYMHSA-N 2 2 267.720 0.831 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1CCCc2ccccc21 ZINC001219561458 804349158 /nfs/dbraw/zinc/34/91/58/804349158.db2.gz KERMRMGMLBCOCG-MELADBBJSA-N 2 2 259.353 0.727 20 0 CCADLP Cc1cc(C)cc(OC[C@@H](C)NC(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)c1 ZINC001219712807 804411536 /nfs/dbraw/zinc/41/15/36/804411536.db2.gz XCLVCGNVQIFQNT-IPYPFGDCSA-N 2 2 291.395 0.876 20 0 CCADLP CC[C@H](C)C[N@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001219774416 804420960 /nfs/dbraw/zinc/42/09/60/804420960.db2.gz MGTGJLIJWNDMJQ-YUTCNCBUSA-N 2 2 294.399 0.550 20 0 CCADLP CC[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001219774416 804420963 /nfs/dbraw/zinc/42/09/63/804420963.db2.gz MGTGJLIJWNDMJQ-YUTCNCBUSA-N 2 2 294.399 0.550 20 0 CCADLP CC[C@H](C)C[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001219774416 804420966 /nfs/dbraw/zinc/42/09/66/804420966.db2.gz MGTGJLIJWNDMJQ-YUTCNCBUSA-N 2 2 294.399 0.550 20 0 CCADLP CC[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001219774416 804420968 /nfs/dbraw/zinc/42/09/68/804420968.db2.gz MGTGJLIJWNDMJQ-YUTCNCBUSA-N 2 2 294.399 0.550 20 0 CCADLP [NH3+]C1(C(=O)N[C@@H]2CC[NH2+][C@H]2c2ccccc2)CC[NH2+]CC1 ZINC001219816144 804427431 /nfs/dbraw/zinc/42/74/31/804427431.db2.gz BGFLDKQSEQBPDR-KGLIPLIRSA-N 3 2 288.395 0.287 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001219815172 804427589 /nfs/dbraw/zinc/42/75/89/804427589.db2.gz UKMGKULZVAUVQV-KFWWJZLASA-N 3 2 299.378 0.499 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2cc(F)c(F)c(F)c2)C1 ZINC001219905885 804445630 /nfs/dbraw/zinc/44/56/30/804445630.db2.gz CUMGAUJNVZBADD-XCBNKYQSSA-N 2 2 273.258 0.409 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001219915967 804446609 /nfs/dbraw/zinc/44/66/09/804446609.db2.gz GDSIQOQFCLFEIR-GWCFXTLKSA-N 3 2 264.373 0.325 20 0 CCADLP O=C(NC[C@@H]1Cc2ccccc2O1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219925858 804449563 /nfs/dbraw/zinc/44/95/63/804449563.db2.gz ZBCFPBWARMLWMJ-XDQVBPFNSA-N 2 2 287.363 0.056 20 0 CCADLP Cn1c(CNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)cc2ccccc21 ZINC001219934976 804452345 /nfs/dbraw/zinc/45/23/45/804452345.db2.gz WDGHUMBIJCVTTC-GUYCJALGSA-N 2 2 298.390 0.746 20 0 CCADLP COc1ccc(O[C@H](C)CNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc1 ZINC001219948060 804454511 /nfs/dbraw/zinc/45/45/11/804454511.db2.gz JLPBJQFFVFGIMX-SWHYSGLUSA-N 2 2 293.367 0.125 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc2nonc2c1 ZINC001219962740 804460015 /nfs/dbraw/zinc/46/00/15/804460015.db2.gz HQPHBCOETZZSEE-JTQLQIEISA-N 2 2 286.295 0.132 20 0 CCADLP C[NH+]1CC(NC(=O)[C@H]([NH3+])Cc2ccccc2F)C1 ZINC001220012729 804471572 /nfs/dbraw/zinc/47/15/72/804471572.db2.gz BBXJWVUKDROIAC-GFCCVEGCSA-N 2 2 251.305 0.126 20 0 CCADLP O=C(NCc1cnc2[nH]ccc2c1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220012960 804471606 /nfs/dbraw/zinc/47/16/06/804471606.db2.gz FDHBANBZYHQJOR-SWLSCSKDSA-N 2 2 285.351 0.131 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NCc2ccc[nH]2)cc1 ZINC001220033330 804477899 /nfs/dbraw/zinc/47/78/99/804477899.db2.gz KRDKTZKJWXIGKK-ZDUSSCGKSA-N 2 2 258.325 0.903 20 0 CCADLP O=C(NCc1nccc2ccccc21)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220046819 804484349 /nfs/dbraw/zinc/48/43/49/804484349.db2.gz FTMIOGUHPLGBPH-CXAGYDPISA-N 2 2 296.374 0.803 20 0 CCADLP COCC1(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)CCC1 ZINC001220063728 804492817 /nfs/dbraw/zinc/49/28/17/804492817.db2.gz AHGRPZJHTGFHRC-CYBMUJFWSA-N 2 2 277.368 0.944 20 0 CCADLP [NH3+]C1(C(=O)N[C@@H]2CCC[C@@]3(CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001220161955 804524293 /nfs/dbraw/zinc/52/42/93/804524293.db2.gz GWVFNEFTYVZEPZ-TZMCWYRMSA-N 3 2 280.416 0.106 20 0 CCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@H]1CC[NH2+]C[C@H]1F ZINC001220189334 804531542 /nfs/dbraw/zinc/53/15/42/804531542.db2.gz PHDQQEKQBMVPKH-LPEHRKFASA-N 2 2 279.306 0.295 20 0 CCADLP CC1(C)C[C@@H](NC(=O)C2([NH3+])CC[NH2+]CC2)CCO1 ZINC001220219201 804541373 /nfs/dbraw/zinc/54/13/73/804541373.db2.gz SUFMPAUPYCRCRO-JTQLQIEISA-N 2 2 255.362 0.141 20 0 CCADLP O=C(N[C@@H]1CCCc2cccnc21)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220226480 804543081 /nfs/dbraw/zinc/54/30/81/804543081.db2.gz SYASKEUKPYSTAG-XJKCOSOUSA-N 2 2 286.379 0.527 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)[C@@H]([NH3+])CC(F)F ZINC001220274655 804558263 /nfs/dbraw/zinc/55/82/63/804558263.db2.gz MOQLSMIHSCMYRS-VIFPVBQESA-N 2 2 276.287 0.128 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001220274473 804558608 /nfs/dbraw/zinc/55/86/08/804558608.db2.gz DNPJRZGBIAUUMK-NEPJUHHUSA-N 2 2 284.335 0.093 20 0 CCADLP C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001220291112 804564646 /nfs/dbraw/zinc/56/46/46/804564646.db2.gz MACKCLQXKNFFAR-NEPJUHHUSA-N 2 2 268.361 0.063 20 0 CCADLP C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001220291112 804564649 /nfs/dbraw/zinc/56/46/49/804564649.db2.gz MACKCLQXKNFFAR-NEPJUHHUSA-N 2 2 268.361 0.063 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC23CCOCC3)cc1 ZINC001220331870 804576106 /nfs/dbraw/zinc/57/61/06/804576106.db2.gz DQYHWFDZBPOMIJ-ZIAGYGMSSA-N 2 2 289.379 0.944 20 0 CCADLP CC[N@@H+]1CCN(C(=O)NCCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC001220543097 804622537 /nfs/dbraw/zinc/62/25/37/804622537.db2.gz GUWNNCRYYDJSID-AWEZNQCLSA-N 2 2 298.431 0.444 20 0 CCADLP CC[N@H+]1CCN(C(=O)NCCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC001220543097 804622547 /nfs/dbraw/zinc/62/25/47/804622547.db2.gz GUWNNCRYYDJSID-AWEZNQCLSA-N 2 2 298.431 0.444 20 0 CCADLP [NH3+]C1(C(=O)NCc2ccc3ocnc3c2)CC[NH2+]CC1 ZINC001220678831 804647073 /nfs/dbraw/zinc/64/70/73/804647073.db2.gz NLSYUSVOZDOYQD-UHFFFAOYSA-N 2 2 274.324 0.525 20 0 CCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C/C=C/Cl)C[C@@H]1O ZINC001220689879 804649981 /nfs/dbraw/zinc/64/99/81/804649981.db2.gz VLNPJIIGKMELRD-XCOQAZTISA-N 2 2 289.807 0.242 20 0 CCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C/C=C/Cl)C[C@@H]1O ZINC001220689879 804649988 /nfs/dbraw/zinc/64/99/88/804649988.db2.gz VLNPJIIGKMELRD-XCOQAZTISA-N 2 2 289.807 0.242 20 0 CCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001220689879 804649992 /nfs/dbraw/zinc/64/99/92/804649992.db2.gz VLNPJIIGKMELRD-XCOQAZTISA-N 2 2 289.807 0.242 20 0 CCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001220689879 804649996 /nfs/dbraw/zinc/64/99/96/804649996.db2.gz VLNPJIIGKMELRD-XCOQAZTISA-N 2 2 289.807 0.242 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CC1CCC1 ZINC001220724060 804656350 /nfs/dbraw/zinc/65/63/50/804656350.db2.gz CVSZILTUMFUUFJ-YPMHNXCESA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CC1CCC1 ZINC001220724060 804656354 /nfs/dbraw/zinc/65/63/54/804656354.db2.gz CVSZILTUMFUUFJ-YPMHNXCESA-N 2 2 269.389 0.341 20 0 CCADLP [NH3+][C@@]12CC[C@@](NC(=O)[C@@H](CO)n3cc[nH+]c3)(C1)CCC2 ZINC001220775060 804664661 /nfs/dbraw/zinc/66/46/61/804664661.db2.gz GYHPUYFUBIALIL-KWCYVHTRSA-N 2 2 278.356 0.337 20 0 CCADLP O=C(NCc1cc(F)cnc1Cl)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220811229 804671214 /nfs/dbraw/zinc/67/12/14/804671214.db2.gz ZHZWEYQGUVOILS-RNCFNFMXSA-N 2 2 298.749 0.442 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cc(F)cnc1Cl ZINC001220810711 804671735 /nfs/dbraw/zinc/67/17/35/804671735.db2.gz QEEFDSKIBPWQOP-SNVBAGLBSA-N 2 2 297.721 0.783 20 0 CCADLP O=C(NCc1ccc(O)cc1F)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220821522 804672003 /nfs/dbraw/zinc/67/20/03/804672003.db2.gz MVBBLRWYBTTZCB-QMTHXVAHSA-N 2 2 279.315 0.099 20 0 CCADLP CC(C)CC1(NC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CCOCC1 ZINC001221000927 804715781 /nfs/dbraw/zinc/71/57/81/804715781.db2.gz HUBOEZLLXBRKCJ-CZUORRHYSA-N 2 2 295.427 0.649 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@@H](c2cncc(F)c2)C2CC2)C1 ZINC001221048822 804723919 /nfs/dbraw/zinc/72/39/19/804723919.db2.gz FIGJDARZYMEMPC-FRRDWIJNSA-N 2 2 278.331 0.477 20 0 CCADLP CC[C@H](F)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221089926 804728872 /nfs/dbraw/zinc/72/88/72/804728872.db2.gz UTFPEQPVVCUWOG-XQQFMLRXSA-N 2 2 289.395 0.236 20 0 CCADLP CC[C@H](F)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221089926 804728875 /nfs/dbraw/zinc/72/88/75/804728875.db2.gz UTFPEQPVVCUWOG-XQQFMLRXSA-N 2 2 289.395 0.236 20 0 CCADLP CC[C@H](F)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221089926 804728881 /nfs/dbraw/zinc/72/88/81/804728881.db2.gz UTFPEQPVVCUWOG-XQQFMLRXSA-N 2 2 289.395 0.236 20 0 CCADLP CC[C@H](F)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221089926 804728883 /nfs/dbraw/zinc/72/88/83/804728883.db2.gz UTFPEQPVVCUWOG-XQQFMLRXSA-N 2 2 289.395 0.236 20 0 CCADLP CCCC(C[NH3+])(CCC)NC(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1 ZINC001221374050 804793100 /nfs/dbraw/zinc/79/31/00/804793100.db2.gz ULPDEEGBISCGRK-QWRGUYRKSA-N 3 2 256.394 0.090 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCc2c1cccc2O ZINC001221395314 804802018 /nfs/dbraw/zinc/80/20/18/804802018.db2.gz SDUAXEVBELIKME-OLZOCXBDSA-N 2 2 286.335 0.789 20 0 CCADLP Cc1cc(C)nc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)n1 ZINC001222109654 804872010 /nfs/dbraw/zinc/87/20/10/804872010.db2.gz MWNVVUUXNGQAIZ-UHFFFAOYSA-N 2 2 275.400 0.621 20 0 CCADLP Cc1cc(C)nc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)n1 ZINC001222109654 804872018 /nfs/dbraw/zinc/87/20/18/804872018.db2.gz MWNVVUUXNGQAIZ-UHFFFAOYSA-N 2 2 275.400 0.621 20 0 CCADLP CC[N@@H+]1CCC[C@@H](OCC[NH+]2CCN(C)CC2)C1 ZINC001224549738 805050350 /nfs/dbraw/zinc/05/03/50/805050350.db2.gz PATYCIKYTLHXLU-CQSZACIVSA-N 2 2 255.406 0.735 20 0 CCADLP CC[N@H+]1CCC[C@@H](OCC[NH+]2CCN(C)CC2)C1 ZINC001224549738 805050360 /nfs/dbraw/zinc/05/03/60/805050360.db2.gz PATYCIKYTLHXLU-CQSZACIVSA-N 2 2 255.406 0.735 20 0 CCADLP Cc1cccc(N2CC3(C2)CC[N@@H+](CC(=O)N(C)C)C3)[nH+]1 ZINC001276980597 805054974 /nfs/dbraw/zinc/05/49/74/805054974.db2.gz CRVYGYJEBKCSGG-UHFFFAOYSA-N 2 2 288.395 0.990 20 0 CCADLP Cc1cccc(N2CC3(C2)CC[N@H+](CC(=O)N(C)C)C3)[nH+]1 ZINC001276980597 805054983 /nfs/dbraw/zinc/05/49/83/805054983.db2.gz CRVYGYJEBKCSGG-UHFFFAOYSA-N 2 2 288.395 0.990 20 0 CCADLP C[C@H](O)C[NH+]1CCC(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001225168463 805112190 /nfs/dbraw/zinc/11/21/90/805112190.db2.gz ZAYZQJGGIQLGAF-LBPRGKRZSA-N 2 2 294.399 0.172 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001225961396 805181013 /nfs/dbraw/zinc/18/10/13/805181013.db2.gz NVSNFFIXNOULCG-JHJVBQTASA-N 2 2 294.399 0.740 20 0 CCADLP CC[NH2+]C1(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001277102439 805196520 /nfs/dbraw/zinc/19/65/20/805196520.db2.gz VAJROBDESQQCPG-NSHDSACASA-N 2 2 262.357 0.704 20 0 CCADLP Nc1[nH+]cccc1-c1cnc(N2CC[NH2+]CC2)nc1 ZINC001241898022 806983781 /nfs/dbraw/zinc/98/37/81/806983781.db2.gz UFUDOBZJVJMMKE-UHFFFAOYSA-N 2 2 256.313 0.530 20 0 CCADLP Cc1cc(-c2ccnc(N3CC[NH2+]CC3)n2)c[nH+]c1N ZINC001245536285 807084295 /nfs/dbraw/zinc/08/42/95/807084295.db2.gz NZZVTKGXRQXEFU-UHFFFAOYSA-N 2 2 270.340 0.839 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@@H]1[NH2+]C[C@H](O)CCOCc1ccccc1 ZINC001245995999 807109620 /nfs/dbraw/zinc/10/96/20/807109620.db2.gz PQUALOANYLPFQP-XHSDSOJGSA-N 2 2 294.395 0.124 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1CCC[NH2+]C1)COCC(F)(F)C(F)F ZINC001246009897 807114165 /nfs/dbraw/zinc/11/41/65/807114165.db2.gz JCEVZPIOVCTCBG-BDAKNGLRSA-N 2 2 288.285 0.606 20 0 CCADLP C[C@H]1[C@@H](C[NH3+])CCC[N@@H+]1C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001246021695 807120435 /nfs/dbraw/zinc/12/04/35/807120435.db2.gz LNOYMYGMMDQPTG-PQEBFOHHSA-N 3 2 291.439 0.977 20 0 CCADLP C[C@H]1[C@@H](C[NH3+])CCC[N@H+]1C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001246021695 807120440 /nfs/dbraw/zinc/12/04/40/807120440.db2.gz LNOYMYGMMDQPTG-PQEBFOHHSA-N 3 2 291.439 0.977 20 0 CCADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1C[C@H](O)COCc1ccco1 ZINC001246022931 807121757 /nfs/dbraw/zinc/12/17/57/807121757.db2.gz QZAXZBPZCBCIJC-NTZNESFSSA-N 2 2 254.330 0.579 20 0 CCADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1C[C@H](O)COCc1ccco1 ZINC001246022931 807121765 /nfs/dbraw/zinc/12/17/65/807121765.db2.gz QZAXZBPZCBCIJC-NTZNESFSSA-N 2 2 254.330 0.579 20 0 CCADLP CC(=O)N1CCC[C@H]([NH2+]C[C@@H]2CC[C@H](C)C[NH2+]2)C1 ZINC001246108947 807155797 /nfs/dbraw/zinc/15/57/97/807155797.db2.gz XDKLXFVGBLFMRY-UBHSHLNASA-N 2 2 253.390 0.975 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](C)C[NH2+]2)CCN1 ZINC001246116746 807158338 /nfs/dbraw/zinc/15/83/38/807158338.db2.gz XSHNRQFUDVJQRT-LOWDOPEQSA-N 2 2 269.389 0.258 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001246140256 807164233 /nfs/dbraw/zinc/16/42/33/807164233.db2.gz GKAFSTQQIGKOJV-MCIONIFRSA-N 3 2 295.427 0.792 20 0 CCADLP C1C[NH2+]C[C@@H]([NH2+]C2CCN(C3CC[NH2+]CC3)CC2)C1 ZINC001246143181 807165388 /nfs/dbraw/zinc/16/53/88/807165388.db2.gz UONWXTCIYQARDB-AWEZNQCLSA-N 3 2 266.433 0.544 20 0 CCADLP COC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CC[C@@H](C(=O)OC)C1 ZINC001246150036 807167202 /nfs/dbraw/zinc/16/72/02/807167202.db2.gz FVTDZKMQKUHISR-WOPDTQHZSA-N 2 2 286.372 0.588 20 0 CCADLP CC[C@@]1(C(=O)OC)C[C@H](NC2(C(F)(F)F)C[NH2+]C2)C[NH2+]1 ZINC001246255995 807199416 /nfs/dbraw/zinc/19/94/16/807199416.db2.gz ZUYIAXLHCOUTPR-WPRPVWTQSA-N 2 2 295.305 0.164 20 0 CCADLP CCC[C@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(=O)OCC ZINC001246258014 807199868 /nfs/dbraw/zinc/19/98/68/807199868.db2.gz ATRIAAUWHZUOFO-NEPJUHHUSA-N 2 2 269.389 0.402 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCOCC3)nn2)CC[NH2+]1 ZINC001246262598 807201705 /nfs/dbraw/zinc/20/17/05/807201705.db2.gz IQTQRWRBRDYKPA-STQMWFEESA-N 2 2 291.399 0.543 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@@H](N[C@H]2CCC[NH2+][C@@H]2C)C[NH2+]1 ZINC001246332983 807225367 /nfs/dbraw/zinc/22/53/67/807225367.db2.gz TYCWZYTWTCXSPB-NRWUCQMLSA-N 2 2 269.389 0.400 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C[C@H]1C(=O)OC ZINC001246359731 807233120 /nfs/dbraw/zinc/23/31/20/807233120.db2.gz VTQPZPSHWYRRAK-FDYHWXHSSA-N 2 2 298.383 0.459 20 0 CCADLP C(C1CCCC1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246361756 807234238 /nfs/dbraw/zinc/23/42/38/807234238.db2.gz NJVOHDHXLGAPSK-CVEARBPZSA-N 3 2 292.471 0.935 20 0 CCADLP C(C1CCCC1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246361756 807234241 /nfs/dbraw/zinc/23/42/41/807234241.db2.gz NJVOHDHXLGAPSK-CVEARBPZSA-N 3 2 292.471 0.935 20 0 CCADLP c1cc(C[NH2+]C2CC[NH2+]CC2)nc(OC2COC2)c1 ZINC001246405607 807244769 /nfs/dbraw/zinc/24/47/69/807244769.db2.gz MLIDIEMQYUSZOO-UHFFFAOYSA-N 2 2 263.341 0.701 20 0 CCADLP c1cnc(N2CCC[C@H]([NH2+][C@@H]3CCC[NH2+]C3)C2)cn1 ZINC001246437856 807251663 /nfs/dbraw/zinc/25/16/63/807251663.db2.gz WFQJEOLDVUCISB-OLZOCXBDSA-N 2 2 261.373 0.787 20 0 CCADLP C[NH2+][C@H]1C[C@H]([NH2+][C@@H]2CN[C@H](C(=O)OC(C)(C)C)C2)C1 ZINC001246459287 807255618 /nfs/dbraw/zinc/25/56/18/807255618.db2.gz DTTSQJNMGSVSPK-BJDJZHNGSA-N 2 2 269.389 0.399 20 0 CCADLP C[C@H]1CC[C@H](NC[C@H]([NH3+])C(=O)OC(C)(C)C)C[NH2+]1 ZINC001246479362 807260843 /nfs/dbraw/zinc/26/08/43/807260843.db2.gz BGYNTWZKJYSEAC-DCAQKATOSA-N 2 2 257.378 0.386 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H](O)[C@@H]([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)C1 ZINC001246493348 807264653 /nfs/dbraw/zinc/26/46/53/807264653.db2.gz AQVQNDVQOWEWRS-DGTMBMJNSA-N 2 2 284.400 0.809 20 0 CCADLP [NH3+]CCCC[C@H]([NH2+][C@H]1CCCC[NH2+]C1)C(=O)N1CCCC1 ZINC001246522305 807273361 /nfs/dbraw/zinc/27/33/61/807273361.db2.gz ZXDSTMKYSSBPPI-GJZGRUSLSA-N 3 2 296.459 0.838 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([N@@H+]2CCC[C@]23CCC[NH2+]C3)CCN1 ZINC001246609612 807321821 /nfs/dbraw/zinc/32/18/21/807321821.db2.gz MAKCRTJVOQJXSX-YDHLFZDLSA-N 2 2 281.400 0.498 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([N@H+]2CCC[C@]23CCC[NH2+]C3)CCN1 ZINC001246609612 807321828 /nfs/dbraw/zinc/32/18/28/807321828.db2.gz MAKCRTJVOQJXSX-YDHLFZDLSA-N 2 2 281.400 0.498 20 0 CCADLP CCOC(=O)[C@H]1CC[C@@H](N2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)C1 ZINC001246618084 807326225 /nfs/dbraw/zinc/32/62/25/807326225.db2.gz JTNMRTXMAGXKMV-XGUBFFRZSA-N 2 2 295.427 0.744 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([NH+]2CCC3(CCC[NH2+]3)CC2)CN1 ZINC001246623981 807330605 /nfs/dbraw/zinc/33/06/05/807330605.db2.gz NHQHIKDXKFYFFA-OLZOCXBDSA-N 2 2 281.400 0.498 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CO1 ZINC001246633759 807336994 /nfs/dbraw/zinc/33/69/94/807336994.db2.gz MDNKWMFBVMOKSQ-XQHKEYJVSA-N 2 2 268.357 0.533 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CO1 ZINC001246633759 807337001 /nfs/dbraw/zinc/33/70/01/807337001.db2.gz MDNKWMFBVMOKSQ-XQHKEYJVSA-N 2 2 268.357 0.533 20 0 CCADLP CC(=O)N1CCO[C@@H]2CC[N@@H+]([C@@H]3CCC[NH2+]C3)CC[C@@H]21 ZINC001246693337 807355707 /nfs/dbraw/zinc/35/57/07/807355707.db2.gz JBJLKDNLNFYRJH-QLFBSQMISA-N 2 2 281.400 0.450 20 0 CCADLP CC(=O)N1CCO[C@@H]2CC[N@H+]([C@@H]3CCC[NH2+]C3)CC[C@@H]21 ZINC001246693337 807355715 /nfs/dbraw/zinc/35/57/15/807355715.db2.gz JBJLKDNLNFYRJH-QLFBSQMISA-N 2 2 281.400 0.450 20 0 CCADLP CN(C)C(=O)[C@H]1CC12CC[NH+]([C@@H]1CCC[NH2+]C1)CC2 ZINC001246759564 807372654 /nfs/dbraw/zinc/37/26/54/807372654.db2.gz NGZGDWHZGPWUJZ-CHWSQXEVSA-N 2 2 265.401 0.929 20 0 CCADLP C[C@@H]1C[C@H](N2CC[NH+](C3(C)CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC001246810045 807390918 /nfs/dbraw/zinc/39/09/18/807390918.db2.gz MAZFYWVGCLHTBN-HUUCEWRRSA-N 3 2 280.460 0.887 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N2CC[NH+](C(C)(C)C)CC2)C[NH2+]1 ZINC001246808425 807391236 /nfs/dbraw/zinc/39/12/36/807391236.db2.gz AOCAPUPSGSSFTF-NEPJUHHUSA-N 2 2 269.389 0.306 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH+]2CCC(n3cc[nH+]c3)CC2)CN1 ZINC001246843941 807403061 /nfs/dbraw/zinc/40/30/61/807403061.db2.gz HEWKKMLLOWVAHB-KBPBESRZSA-N 2 2 292.383 0.814 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)CN1 ZINC001246922724 807428525 /nfs/dbraw/zinc/42/85/25/807428525.db2.gz XUMMAWXCXUPDPY-XUXIUFHCSA-N 2 2 281.400 0.306 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)CN1 ZINC001246922724 807428531 /nfs/dbraw/zinc/42/85/31/807428531.db2.gz XUMMAWXCXUPDPY-XUXIUFHCSA-N 2 2 281.400 0.306 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH+]2C[C@H]3[C@H](C2)CCC[N@@H+]3C)CN1 ZINC001246922724 807428535 /nfs/dbraw/zinc/42/85/35/807428535.db2.gz XUMMAWXCXUPDPY-XUXIUFHCSA-N 2 2 281.400 0.306 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH+]2C[C@H]3[C@H](C2)CCC[N@H+]3C)CN1 ZINC001246922724 807428539 /nfs/dbraw/zinc/42/85/39/807428539.db2.gz XUMMAWXCXUPDPY-XUXIUFHCSA-N 2 2 281.400 0.306 20 0 CCADLP Oc1cnc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)nc1 ZINC001246922211 807428949 /nfs/dbraw/zinc/42/89/49/807428949.db2.gz WTAIWFFTODRMCR-FUNVUKJBSA-N 2 2 289.383 0.587 20 0 CCADLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246926473 807430346 /nfs/dbraw/zinc/43/03/46/807430346.db2.gz SPRIANNRCJIMDE-ZDUSSCGKSA-N 3 2 263.389 0.299 20 0 CCADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246926473 807430350 /nfs/dbraw/zinc/43/03/50/807430350.db2.gz SPRIANNRCJIMDE-ZDUSSCGKSA-N 3 2 263.389 0.299 20 0 CCADLP COC(=O)[C@H]([NH3+])[C@@H]1CCCN([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246927576 807430642 /nfs/dbraw/zinc/43/06/42/807430642.db2.gz XAZHXVNAVIMAEE-FVCCEPFGSA-N 2 2 269.389 0.339 20 0 CCADLP COc1cc(N2CCN([C@H]3CCC[NH2+]C3)CC2)cc[nH+]1 ZINC001246962694 807442243 /nfs/dbraw/zinc/44/22/43/807442243.db2.gz CZGNHRIKAKUXBW-AWEZNQCLSA-N 2 2 276.384 0.964 20 0 CCADLP COc1cc(N2CCN(C3CC[NH2+]CC3)CC2)cc[nH+]1 ZINC001246970763 807443685 /nfs/dbraw/zinc/44/36/85/807443685.db2.gz RHAQUMTVNCQZQR-UHFFFAOYSA-N 2 2 276.384 0.964 20 0 CCADLP [NH3+]C[C@H]([NH3+])Cc1nc(-c2cccc(C(F)(F)F)n2)no1 ZINC001249129294 807544305 /nfs/dbraw/zinc/54/43/05/807544305.db2.gz UFZYRQRYWDDAPL-ZCFIWIBFSA-N 2 2 287.245 0.979 20 0 CCADLP C[NH+](C)CCNC(=S)N1CCc2[nH+]ccn2CC1 ZINC001249836350 807574005 /nfs/dbraw/zinc/57/40/05/807574005.db2.gz MFDFKQMWEHNRBG-UHFFFAOYSA-N 2 2 267.402 0.177 20 0 CCADLP CSc1cc(NC[C@H](O)C[NH+]2CCOCC2)cc[nH+]1 ZINC001251012358 807641721 /nfs/dbraw/zinc/64/17/21/807641721.db2.gz TTXJMDMAVQOMMG-LBPRGKRZSA-N 2 2 283.397 0.909 20 0 CCADLP C[NH+]1CCC(CO)([NH2+]C[C@@H](O)COc2ccccc2)CC1 ZINC001251260587 807678173 /nfs/dbraw/zinc/67/81/73/807678173.db2.gz ZHQNZOFFPLADGC-CQSZACIVSA-N 2 2 294.395 0.473 20 0 CCADLP OC[C@@H](O)C[NH+]1C[C@@H]2C[NH+](Cc3cccs3)C[C@H]2C1 ZINC001252057389 807781378 /nfs/dbraw/zinc/78/13/78/807781378.db2.gz IRGUCIWADBQTEM-UPJWGTAASA-N 2 2 282.409 0.465 20 0 CCADLP C[NH+](C)CC[C@H]([NH2+]C[C@H](O)CO)c1ccccc1 ZINC001252068703 807790407 /nfs/dbraw/zinc/79/04/07/807790407.db2.gz RLEJHPZSAPSCRC-KBPBESRZSA-N 2 2 252.358 0.622 20 0 CCADLP COc1ccc(OC[C@H](O)C[NH2+]CCc2[nH]cc[nH+]2)cc1 ZINC001252731388 807951530 /nfs/dbraw/zinc/95/15/30/807951530.db2.gz YQAYLBWQGSLIDR-GFCCVEGCSA-N 2 2 291.351 0.990 20 0 CCADLP COC[C@@H](O)C[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001252815684 807966671 /nfs/dbraw/zinc/96/66/71/807966671.db2.gz USHDXXOGMLDPTL-OAGGEKHMSA-N 2 2 291.395 0.453 20 0 CCADLP CC[NH+](CC)C[C@H](O)CNc1cc(N(C)CCO)nc[nH+]1 ZINC001253176062 808017124 /nfs/dbraw/zinc/01/71/24/808017124.db2.gz DZYBWRIFWBQIBY-GFCCVEGCSA-N 2 2 297.403 0.020 20 0 CCADLP CC[NH+](CC)C[C@H](O)CNc1cc(N(C)CCO)[nH+]cn1 ZINC001253176062 808017128 /nfs/dbraw/zinc/01/71/28/808017128.db2.gz DZYBWRIFWBQIBY-GFCCVEGCSA-N 2 2 297.403 0.020 20 0 CCADLP CCOC(=O)[C@H]1[C@@H]2C[N@@H+](C[C@H](O)C[NH+](CC)CC)C[C@@H]21 ZINC001253193681 808026793 /nfs/dbraw/zinc/02/67/93/808026793.db2.gz HGIFMRYSJZJYDK-MQYQWHSLSA-N 2 2 284.400 0.430 20 0 CCADLP CCOC(=O)[C@H]1[C@@H]2C[N@H+](C[C@H](O)C[NH+](CC)CC)C[C@@H]21 ZINC001253193681 808026797 /nfs/dbraw/zinc/02/67/97/808026797.db2.gz HGIFMRYSJZJYDK-MQYQWHSLSA-N 2 2 284.400 0.430 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+]C[C@H]1OCCc2cn(C)nc21 ZINC001253201856 808028627 /nfs/dbraw/zinc/02/86/27/808028627.db2.gz AFCGVUOSKBBKGB-UONOGXRCSA-N 2 2 296.415 0.326 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+]Cc1ccc2c(c1)CC(=O)N2 ZINC001253211884 808035156 /nfs/dbraw/zinc/03/51/56/808035156.db2.gz BRLWRYUVRDHBLB-AWEZNQCLSA-N 2 2 291.395 0.974 20 0 CCADLP CCCC[C@H]([NH2+]C[C@@H](O)C[NH+](CC)CC)C(N)=O ZINC001253215254 808036897 /nfs/dbraw/zinc/03/68/97/808036897.db2.gz WGWINCINTZDBRC-NEPJUHHUSA-N 2 2 259.394 0.323 20 0 CCADLP Cn1cc2c(n1)[C@H](C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)OCC2 ZINC001253405749 808059727 /nfs/dbraw/zinc/05/97/27/808059727.db2.gz MYNCEFZGHCHDOY-STQMWFEESA-N 2 2 296.415 0.373 20 0 CCADLP C[C@@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)c1cncnc1 ZINC001253405417 808060352 /nfs/dbraw/zinc/06/03/52/808060352.db2.gz ZLGDPPGPEXYQSS-PWSUYJOCSA-N 2 2 252.362 0.876 20 0 CCADLP CC(C)CNC(=O)C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253406648 808062001 /nfs/dbraw/zinc/06/20/01/808062001.db2.gz SYKPEURWKTVOQE-NSHDSACASA-N 2 2 259.394 0.097 20 0 CCADLP C[NH+]1CC(C[NH2+]C[C@@](C)(O)C(=O)OCc2ccccc2)C1 ZINC001253658345 808103356 /nfs/dbraw/zinc/10/33/56/808103356.db2.gz PZMVWXOOHDEMNF-MRXNPFEDSA-N 2 2 292.379 0.632 20 0 CCADLP C[NH+](C)CCC[N@H+](C)C[C@H](O)C(=O)OC(C)(C)C ZINC001253667267 808105237 /nfs/dbraw/zinc/10/52/37/808105237.db2.gz QETFZISZAZIPMO-NSHDSACASA-N 2 2 260.378 0.573 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)C[C@H](O)C(=O)OC(C)(C)C ZINC001253667267 808105241 /nfs/dbraw/zinc/10/52/41/808105241.db2.gz QETFZISZAZIPMO-NSHDSACASA-N 2 2 260.378 0.573 20 0 CCADLP CC(C)(C)OC(=O)[C@@H](O)C[NH2+]CCOc1cc[nH+]cc1 ZINC001253713347 808126740 /nfs/dbraw/zinc/12/67/40/808126740.db2.gz CFSDPJFGLLOYLE-LBPRGKRZSA-N 2 2 282.340 0.753 20 0 CCADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](C[C@H](O)C(C)C)CC2 ZINC001253759290 808132728 /nfs/dbraw/zinc/13/27/28/808132728.db2.gz JFAQAJAUIHJDMJ-AWEZNQCLSA-N 2 2 297.443 0.680 20 0 CCADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](C[C@H](O)C(C)C)CC2 ZINC001253759290 808132732 /nfs/dbraw/zinc/13/27/32/808132732.db2.gz JFAQAJAUIHJDMJ-AWEZNQCLSA-N 2 2 297.443 0.680 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@H+](CC)C1CC[NH+](C)CC1 ZINC001253798494 808145220 /nfs/dbraw/zinc/14/52/20/808145220.db2.gz SFLXCPPKQPZXDQ-ZDUSSCGKSA-N 2 2 272.389 0.717 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001253798494 808145225 /nfs/dbraw/zinc/14/52/25/808145225.db2.gz SFLXCPPKQPZXDQ-ZDUSSCGKSA-N 2 2 272.389 0.717 20 0 CCADLP C[NH+](C)Cc1cn(C[C@@H]2C[C@]3(CO2)CCCC[NH2+]3)nn1 ZINC001254068443 808175566 /nfs/dbraw/zinc/17/55/66/808175566.db2.gz OROWRIDZZJHVTL-KBPBESRZSA-N 2 2 279.388 0.641 20 0 CCADLP [NH3+]CCOCCn1cc(-c2cccc3[nH+]ccn32)nn1 ZINC001254155738 808191404 /nfs/dbraw/zinc/19/14/04/808191404.db2.gz NCPYDFBCNMAVIU-UHFFFAOYSA-N 2 2 272.312 0.568 20 0 CCADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2COC[C@H]2[NH3+])CC1=O ZINC001254234018 808197045 /nfs/dbraw/zinc/19/70/45/808197045.db2.gz RZKYIYVQXAPUCN-HBNTYKKESA-N 2 2 299.371 0.228 20 0 CCADLP CCCC[N@H+](C)CCC[NH2+][C@H]1CCS(=O)(=O)C1 ZINC001254315885 808203465 /nfs/dbraw/zinc/20/34/65/808203465.db2.gz QBSLFGFIILPOFQ-LBPRGKRZSA-N 2 2 262.419 0.885 20 0 CCADLP CCCC[N@@H+](C)CCC[NH2+][C@H]1CCS(=O)(=O)C1 ZINC001254315885 808203471 /nfs/dbraw/zinc/20/34/71/808203471.db2.gz QBSLFGFIILPOFQ-LBPRGKRZSA-N 2 2 262.419 0.885 20 0 CCADLP CCOC(=O)C[NH+]1CCC(n2ccc(C[NH3+])n2)CC1 ZINC001254394995 808231600 /nfs/dbraw/zinc/23/16/00/808231600.db2.gz ZKTLWIQRNDQPNA-UHFFFAOYSA-N 2 2 266.345 0.542 20 0 CCADLP C[N@@H+]1CCC[C@H](n2c[nH+]cc2C[C@@H]([NH3+])CO)CC1 ZINC001254505459 808248934 /nfs/dbraw/zinc/24/89/34/808248934.db2.gz GNUYYPKHUOQPJP-NEPJUHHUSA-N 3 2 252.362 0.402 20 0 CCADLP C[N@H+]1CCC[C@H](n2c[nH+]cc2C[C@@H]([NH3+])CO)CC1 ZINC001254505459 808248935 /nfs/dbraw/zinc/24/89/35/808248935.db2.gz GNUYYPKHUOQPJP-NEPJUHHUSA-N 3 2 252.362 0.402 20 0 CCADLP O=C1C[C@@H](C[NH2+][C@H]2CC3CC[NH+](CC3)C2)CCN1 ZINC001254833087 808283416 /nfs/dbraw/zinc/28/34/16/808283416.db2.gz MPGFZESZYNMVMA-STQMWFEESA-N 2 2 251.374 0.587 20 0 CCADLP O=C1C=CC(=O)N1CCCC[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254847526 808286520 /nfs/dbraw/zinc/28/65/20/808286520.db2.gz FTRALEHJQAQMME-AWEZNQCLSA-N 2 2 291.395 0.766 20 0 CCADLP O[C@@H]1CCCN(CC[NH2+][C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254848346 808287163 /nfs/dbraw/zinc/28/71/63/808287163.db2.gz OUFGEGZHACCWMK-HUUCEWRRSA-N 2 2 267.417 0.517 20 0 CCADLP COC(=O)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254848602 808287393 /nfs/dbraw/zinc/28/73/93/808287393.db2.gz RSFFUXNXUVJKPG-MCIONIFRSA-N 2 2 282.384 0.638 20 0 CCADLP Cc1[nH+]c[nH]c1CSCCNC(=O)C1C[NH+](C)C1 ZINC001142600352 815191711 /nfs/dbraw/zinc/19/17/11/815191711.db2.gz RGQBAONBNASAJN-UHFFFAOYSA-N 2 2 268.386 0.629 20 0 CCADLP C[N@H+](CCN1CC[NH+](C)CC1)[C@@H]1CC2CCN(CC2)C1 ZINC001254859700 808290133 /nfs/dbraw/zinc/29/01/33/808290133.db2.gz GIFGLBFUOFYSAT-MRXNPFEDSA-N 2 2 280.460 0.650 20 0 CCADLP C[N@@H+](CCN1CC[NH+](C)CC1)[C@@H]1CC2CCN(CC2)C1 ZINC001254859700 808290137 /nfs/dbraw/zinc/29/01/37/808290137.db2.gz GIFGLBFUOFYSAT-MRXNPFEDSA-N 2 2 280.460 0.650 20 0 CCADLP C[C@H](C[NH+]1CCCC1)[NH2+][C@@H](C)CC(=O)N1CCOCC1 ZINC001256320529 808491217 /nfs/dbraw/zinc/49/12/17/808491217.db2.gz PXSMLLRZBMCARG-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[NH+]1CCC([NH2+][C@@H]2COCCC23OCCO3)CC1 ZINC001258766465 808699733 /nfs/dbraw/zinc/69/97/33/808699733.db2.gz VBDHEJWYXXECMK-CQSZACIVSA-N 2 2 284.400 0.982 20 0 CCADLP COc1ccccc1C[C@@H](C)[N@H+](CC[NH3+])CCO ZINC001258880749 808704502 /nfs/dbraw/zinc/70/45/02/808704502.db2.gz WIFLQTLEVBHFHB-GFCCVEGCSA-N 2 2 252.358 0.879 20 0 CCADLP COc1ccccc1C[C@@H](C)[N@@H+](CC[NH3+])CCO ZINC001258880749 808704507 /nfs/dbraw/zinc/70/45/07/808704507.db2.gz WIFLQTLEVBHFHB-GFCCVEGCSA-N 2 2 252.358 0.879 20 0 CCADLP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCO1 ZINC001262008105 809152242 /nfs/dbraw/zinc/15/22/42/809152242.db2.gz AVLQYKGKJAZAJM-GMTAPVOTSA-N 2 2 264.329 0.089 20 0 CCADLP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCO1 ZINC001262008105 809152248 /nfs/dbraw/zinc/15/22/48/809152248.db2.gz AVLQYKGKJAZAJM-GMTAPVOTSA-N 2 2 264.329 0.089 20 0 CCADLP C[C@@H](CC(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21)n1cc[nH+]c1 ZINC001076304415 815274100 /nfs/dbraw/zinc/27/41/00/815274100.db2.gz NCOVNSBUVVHXNC-MELADBBJSA-N 2 2 292.383 0.359 20 0 CCADLP C[C@@H](CC(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21)n1cc[nH+]c1 ZINC001076304415 815274106 /nfs/dbraw/zinc/27/41/06/815274106.db2.gz NCOVNSBUVVHXNC-MELADBBJSA-N 2 2 292.383 0.359 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@@H+](CCCF)C[C@H]21 ZINC001076295305 815274284 /nfs/dbraw/zinc/27/42/84/815274284.db2.gz JUYJLELEWLAGHQ-WCQYABFASA-N 2 2 280.347 0.845 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2C[N@H+](CCCF)C[C@H]21 ZINC001076295305 815274289 /nfs/dbraw/zinc/27/42/89/815274289.db2.gz JUYJLELEWLAGHQ-WCQYABFASA-N 2 2 280.347 0.845 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)COC1CC[NH+](C)CC1 ZINC001262380197 809297468 /nfs/dbraw/zinc/29/74/68/809297468.db2.gz AHTZIHRPQOPRPV-UHFFFAOYSA-N 2 2 266.345 0.147 20 0 CCADLP [NH3+][C@@H](CC(=O)N1C[C@H]([NH3+])Cc2ccccc21)C(F)F ZINC001263130039 809453867 /nfs/dbraw/zinc/45/38/67/809453867.db2.gz IROFGBCBGRFZBX-ZJUUUORDSA-N 2 2 269.295 0.886 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C1([NH2+]C)CCC1 ZINC001263179703 809472886 /nfs/dbraw/zinc/47/28/86/809472886.db2.gz UBTBXMSZPDMMKN-LBPRGKRZSA-N 2 2 269.389 0.356 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C1([NH2+]C)CCC1 ZINC001263179703 809472890 /nfs/dbraw/zinc/47/28/90/809472890.db2.gz UBTBXMSZPDMMKN-LBPRGKRZSA-N 2 2 269.389 0.356 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)Nc1cc2n(n1)CC[NH2+]C2 ZINC001263244391 809492811 /nfs/dbraw/zinc/49/28/11/809492811.db2.gz CCUNYNBUMCQEEJ-NSHDSACASA-N 2 2 263.345 0.409 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)Nc1cc2n(n1)CC[NH2+]C2 ZINC001263244391 809492815 /nfs/dbraw/zinc/49/28/15/809492815.db2.gz CCUNYNBUMCQEEJ-NSHDSACASA-N 2 2 263.345 0.409 20 0 CCADLP CCOC(=O)N1CCC([NH2+]CC2C[NH+](C)C2)CC1 ZINC000379479392 809513185 /nfs/dbraw/zinc/51/31/85/809513185.db2.gz OTDUCYWIUOPWEB-UHFFFAOYSA-N 2 2 255.362 0.759 20 0 CCADLP CN(CC[N@H+](C)C1CC1)C(=O)CCc1[nH+]ccn1C ZINC001263777006 809568761 /nfs/dbraw/zinc/56/87/61/809568761.db2.gz XQKKIORNVZGMED-UHFFFAOYSA-N 2 2 264.373 0.905 20 0 CCADLP CN(CC[N@@H+](C)C1CC1)C(=O)CCc1[nH+]ccn1C ZINC001263777006 809568764 /nfs/dbraw/zinc/56/87/64/809568764.db2.gz XQKKIORNVZGMED-UHFFFAOYSA-N 2 2 264.373 0.905 20 0 CCADLP COCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001263875204 809595617 /nfs/dbraw/zinc/59/56/17/809595617.db2.gz JZTDIAGQSUNKDU-AVGNSLFASA-N 2 2 294.399 0.719 20 0 CCADLP COCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001263875204 809595620 /nfs/dbraw/zinc/59/56/20/809595620.db2.gz JZTDIAGQSUNKDU-AVGNSLFASA-N 2 2 294.399 0.719 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001263996125 809619197 /nfs/dbraw/zinc/61/91/97/809619197.db2.gz TVVDYXMYWWOQFT-GRYCIOLGSA-N 2 2 262.357 0.717 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001263996125 809619198 /nfs/dbraw/zinc/61/91/98/809619198.db2.gz TVVDYXMYWWOQFT-GRYCIOLGSA-N 2 2 262.357 0.717 20 0 CCADLP C[C@@H](O)CCC[NH2+][C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001265844013 809872911 /nfs/dbraw/zinc/87/29/11/809872911.db2.gz QYLHUQQTULUKIJ-GHMZBOCLSA-N 2 2 268.361 0.208 20 0 CCADLP C[N@H+](CCF)CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001265877848 809882302 /nfs/dbraw/zinc/88/23/02/809882302.db2.gz OZGNRPDJKYZRPH-GFCCVEGCSA-N 2 2 282.363 0.853 20 0 CCADLP C[N@@H+](CCF)CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001265877848 809882308 /nfs/dbraw/zinc/88/23/08/809882308.db2.gz OZGNRPDJKYZRPH-GFCCVEGCSA-N 2 2 282.363 0.853 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@H]1CCC[NH+](C)C1)C1CC1 ZINC000394062092 809935134 /nfs/dbraw/zinc/93/51/34/809935134.db2.gz APUXDFMZSZPZTB-OCCSQVGLSA-N 3 2 255.406 0.373 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H]1CCC[NH+](C)C1)C1CC1 ZINC000394062092 809935138 /nfs/dbraw/zinc/93/51/38/809935138.db2.gz APUXDFMZSZPZTB-OCCSQVGLSA-N 3 2 255.406 0.373 20 0 CCADLP C[NH+](C[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000394062092 809935143 /nfs/dbraw/zinc/93/51/43/809935143.db2.gz APUXDFMZSZPZTB-OCCSQVGLSA-N 3 2 255.406 0.373 20 0 CCADLP C[NH+](C[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000394062092 809935147 /nfs/dbraw/zinc/93/51/47/809935147.db2.gz APUXDFMZSZPZTB-OCCSQVGLSA-N 3 2 255.406 0.373 20 0 CCADLP CC[NH2+]C1CC(N(C)C(=O)CCc2c[nH+]cn2C)C1 ZINC001279316014 809974756 /nfs/dbraw/zinc/97/47/56/809974756.db2.gz UYGKMYDXTPSCER-UHFFFAOYSA-N 2 2 264.373 0.952 20 0 CCADLP CCOCC[N@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001279415761 809977571 /nfs/dbraw/zinc/97/75/71/809977571.db2.gz DLYKBJUOILMNNA-OKILXGFUSA-N 2 2 292.383 0.310 20 0 CCADLP CCOCC[N@@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001279415761 809977573 /nfs/dbraw/zinc/97/75/73/809977573.db2.gz DLYKBJUOILMNNA-OKILXGFUSA-N 2 2 292.383 0.310 20 0 CCADLP CN(CC[NH2+]C[C@H]1CCCCO1)C(=O)Cc1c[nH+]c[nH]1 ZINC001267435358 811304071 /nfs/dbraw/zinc/30/40/71/811304071.db2.gz VMMNHTOQPCAYDS-CYBMUJFWSA-N 2 2 280.372 0.569 20 0 CCADLP N=c1scc(N)n1C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001218543002 811580263 /nfs/dbraw/zinc/58/02/63/811580263.db2.gz YJPFPQQRSGZCBU-VIFPVBQESA-N 2 2 277.353 0.258 20 0 CCADLP COC[C@@H](C)[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149135446 811654398 /nfs/dbraw/zinc/65/43/98/811654398.db2.gz ZUHSUVOAYIZDLR-SECBINFHSA-N 2 2 254.334 0.001 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@@H](C)C1)n1cc[nH+]c1 ZINC001219642338 811691625 /nfs/dbraw/zinc/69/16/25/811691625.db2.gz RZJAFVCXABYRCT-TUAOUCFPSA-N 2 2 250.346 0.806 20 0 CCADLP Cc1cc(-n2ccc(CC[NH3+])n2)c[nH+]c1N1CCOCC1 ZINC001167730431 811718108 /nfs/dbraw/zinc/71/81/08/811718108.db2.gz JJLMGTZZOAGSIX-UHFFFAOYSA-N 2 2 287.367 0.914 20 0 CCADLP CC[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001105105513 811843343 /nfs/dbraw/zinc/84/33/43/811843343.db2.gz TUIKIFVSGNKOGS-CHWSQXEVSA-N 2 2 264.373 0.977 20 0 CCADLP CC(C)[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H](O)C1 ZINC001083580124 815499720 /nfs/dbraw/zinc/49/97/20/815499720.db2.gz RNGMDWTYOICMTB-BNOWGMLFSA-N 2 2 292.383 0.015 20 0 CCADLP CC(C)[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H](O)C1 ZINC001083580124 815499722 /nfs/dbraw/zinc/49/97/22/815499722.db2.gz RNGMDWTYOICMTB-BNOWGMLFSA-N 2 2 292.383 0.015 20 0 CCADLP C[C@H](C[NH2+]CCO)N(C)C(=O)CCCn1cc[nH+]c1 ZINC001268099159 812258804 /nfs/dbraw/zinc/25/88/04/812258804.db2.gz YWBRIGUQFZTZMC-GFCCVEGCSA-N 2 2 268.361 0.092 20 0 CCADLP CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001268150164 812309122 /nfs/dbraw/zinc/30/91/22/812309122.db2.gz KQMRSBIMWPFWAK-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001268150164 812309131 /nfs/dbraw/zinc/30/91/31/812309131.db2.gz KQMRSBIMWPFWAK-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@@H](O)C[NH2+]CC[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001268386776 812536012 /nfs/dbraw/zinc/53/60/12/812536012.db2.gz PSZSWDOPEOGSLM-VXGBXAGGSA-N 2 2 290.367 0.813 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CC[NH2+]C[C@@H]1CCOC1 ZINC001268420291 812557891 /nfs/dbraw/zinc/55/78/91/812557891.db2.gz VXXDSILANWWJFN-YPMHNXCESA-N 2 2 294.399 0.782 20 0 CCADLP COc1cc(OC)cc(-c2noc([C@H]3C[NH2+]C[C@@H]3[NH3+])n2)c1 ZINC001211755593 812670235 /nfs/dbraw/zinc/67/02/35/812670235.db2.gz URRABHINZMDCPT-RYUDHWBXSA-N 2 2 290.323 0.768 20 0 CCADLP Cn1cc2cccc(-c3noc([C@H]4C[NH2+]C[C@@H]4[NH3+])n3)c2n1 ZINC001211755292 812670459 /nfs/dbraw/zinc/67/04/59/812670459.db2.gz FWIOQXZRTUAYNR-QWRGUYRKSA-N 2 2 284.323 0.637 20 0 CCADLP CO[C@H](C)C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001268799010 813092575 /nfs/dbraw/zinc/09/25/75/813092575.db2.gz QXASDHNJZPQLFE-JHJVBQTASA-N 2 2 294.399 0.986 20 0 CCADLP CO[C@H](C)C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001268799010 813092583 /nfs/dbraw/zinc/09/25/83/813092583.db2.gz QXASDHNJZPQLFE-JHJVBQTASA-N 2 2 294.399 0.986 20 0 CCADLP CC[N@H+](CCN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O)C1CC1 ZINC000348516398 815578901 /nfs/dbraw/zinc/57/89/01/815578901.db2.gz QURVIUDFXJKUIE-LBPRGKRZSA-N 2 2 291.355 0.357 20 0 CCADLP CC[N@@H+](CCN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O)C1CC1 ZINC000348516398 815578902 /nfs/dbraw/zinc/57/89/02/815578902.db2.gz QURVIUDFXJKUIE-LBPRGKRZSA-N 2 2 291.355 0.357 20 0 CCADLP CC[N@H+](CCN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O)C1CC1 ZINC000348516398 815578908 /nfs/dbraw/zinc/57/89/08/815578908.db2.gz QURVIUDFXJKUIE-LBPRGKRZSA-N 2 2 291.355 0.357 20 0 CCADLP CC[N@@H+](CCN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O)C1CC1 ZINC000348516398 815578914 /nfs/dbraw/zinc/57/89/14/815578914.db2.gz QURVIUDFXJKUIE-LBPRGKRZSA-N 2 2 291.355 0.357 20 0 CCADLP COC[C@@H](C)[NH2+]CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001268964795 813160254 /nfs/dbraw/zinc/16/02/54/813160254.db2.gz YFCOGCQIYNWVGN-GFCCVEGCSA-N 2 2 268.361 0.356 20 0 CCADLP CCOCCC[N@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001269357252 813338392 /nfs/dbraw/zinc/33/83/92/813338392.db2.gz ZBMRWIQKVVJLRB-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP O=C(CCn1cc[nH+]c1)Nc1cc2n(n1)CC[NH2+]C2 ZINC000711959062 813512455 /nfs/dbraw/zinc/51/24/55/813512455.db2.gz FGMBRBSXXYLDSO-UHFFFAOYSA-N 2 2 260.301 0.212 20 0 CCADLP CCn1ccc(C[NH2+]CCNC(=O)CCc2[nH]cc[nH+]2)n1 ZINC001126442988 813599144 /nfs/dbraw/zinc/59/91/44/813599144.db2.gz WMTWTKPMHKQJNH-UHFFFAOYSA-N 2 2 290.371 0.465 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]C[C@H]1C[C@]12CCOC2 ZINC001126447272 813629447 /nfs/dbraw/zinc/62/94/47/813629447.db2.gz BTVFNZQYMBEREW-DOMZBBRYSA-N 2 2 292.383 0.475 20 0 CCADLP CCOCCC[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126448374 813638259 /nfs/dbraw/zinc/63/82/59/813638259.db2.gz UCSUVZQLCWBFBL-UHFFFAOYSA-N 2 2 268.361 0.475 20 0 CCADLP C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](CO)n1cc[nH+]c1)CC2 ZINC001270400143 813749018 /nfs/dbraw/zinc/74/90/18/813749018.db2.gz ZAZXIKUDZQTMOW-ZDUSSCGKSA-N 2 2 292.383 0.361 20 0 CCADLP C[N@H+]1CCC2(C1)CCN(C(=O)[C@H](CO)n1cc[nH+]c1)CC2 ZINC001270400143 813749021 /nfs/dbraw/zinc/74/90/21/813749021.db2.gz ZAZXIKUDZQTMOW-ZDUSSCGKSA-N 2 2 292.383 0.361 20 0 CCADLP COC[C@H](C)[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001167976773 813879916 /nfs/dbraw/zinc/87/99/16/813879916.db2.gz DZVJXHNMOUZIEE-NEPJUHHUSA-N 2 2 282.388 0.719 20 0 CCADLP COC[C@H](C)[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001167976773 813879926 /nfs/dbraw/zinc/87/99/26/813879926.db2.gz DZVJXHNMOUZIEE-NEPJUHHUSA-N 2 2 282.388 0.719 20 0 CCADLP COCC[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001271120056 814162573 /nfs/dbraw/zinc/16/25/73/814162573.db2.gz DUXFXKWOKIPLPH-SNVBAGLBSA-N 2 2 254.334 0.035 20 0 CCADLP COCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088121269 814417450 /nfs/dbraw/zinc/41/74/50/814417450.db2.gz XHTNHYSRQOFRBT-OLZOCXBDSA-N 2 2 292.383 0.379 20 0 CCADLP COCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088121269 814417455 /nfs/dbraw/zinc/41/74/55/814417455.db2.gz XHTNHYSRQOFRBT-OLZOCXBDSA-N 2 2 292.383 0.379 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2C[N@H+](CCCO)CC[C@@H]2C1 ZINC001088151644 814428548 /nfs/dbraw/zinc/42/85/48/814428548.db2.gz NKIACOSHJAZPGU-OLZOCXBDSA-N 2 2 292.383 0.115 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2C[N@@H+](CCCO)CC[C@@H]2C1 ZINC001088151644 814428550 /nfs/dbraw/zinc/42/85/50/814428550.db2.gz NKIACOSHJAZPGU-OLZOCXBDSA-N 2 2 292.383 0.115 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC2(CC[NH+]2C)C1 ZINC001271931127 814634509 /nfs/dbraw/zinc/63/45/09/814634509.db2.gz HYJXSOOJAYMCGL-LBPRGKRZSA-N 2 2 251.374 0.777 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1CC2(CC[NH+]2C)C1 ZINC001271931127 814634513 /nfs/dbraw/zinc/63/45/13/814634513.db2.gz HYJXSOOJAYMCGL-LBPRGKRZSA-N 2 2 251.374 0.777 20 0 CCADLP CC[NH+]1CCCC[C@H]1C(=O)N1CC2(CC[N@@H+]2C)C1 ZINC001271931127 814634516 /nfs/dbraw/zinc/63/45/16/814634516.db2.gz HYJXSOOJAYMCGL-LBPRGKRZSA-N 2 2 251.374 0.777 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001088390200 814667563 /nfs/dbraw/zinc/66/75/63/814667563.db2.gz IDZMDDPWQZCKHC-OLZOCXBDSA-N 2 2 294.399 0.694 20 0 CCADLP [NH3+]CC[N@H+](CCO)[C@H]1CCc2cc(F)ccc2C1 ZINC001168400130 815854942 /nfs/dbraw/zinc/85/49/42/815854942.db2.gz IDGLOCZNZZXESU-AWEZNQCLSA-N 2 2 252.333 0.936 20 0 CCADLP [NH3+]CC[N@@H+](CCO)[C@H]1CCc2cc(F)ccc2C1 ZINC001168400130 815854950 /nfs/dbraw/zinc/85/49/50/815854950.db2.gz IDGLOCZNZZXESU-AWEZNQCLSA-N 2 2 252.333 0.936 20 0 CCADLP Cc1nc(NC[C@@H](O)CNC(=O)C[N@@H+](C)C(C)C)cc[nH+]1 ZINC001105869050 815931373 /nfs/dbraw/zinc/93/13/73/815931373.db2.gz KWYDOPMHRAMRBZ-GFCCVEGCSA-N 2 2 295.387 0.014 20 0 CCADLP Cc1nc(NC[C@@H](O)CNC(=O)C[N@H+](C)C(C)C)cc[nH+]1 ZINC001105869050 815931375 /nfs/dbraw/zinc/93/13/75/815931375.db2.gz KWYDOPMHRAMRBZ-GFCCVEGCSA-N 2 2 295.387 0.014 20 0 CCADLP [NH3+][C@@H]1COC[C@H]1[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001168405433 815998693 /nfs/dbraw/zinc/99/86/93/815998693.db2.gz RVEDKUHLGBRLDN-MGPQQGTHSA-N 2 2 250.317 0.999 20 0 CCADLP CC[C@@H](C[NH+]1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1)OC ZINC001030532817 816089240 /nfs/dbraw/zinc/08/92/40/816089240.db2.gz WTNNCYFWVFDXCX-KBPBESRZSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@@H](C[NH+]1CC(NC(=O)[C@@H]2CCCC[N@H+]2C)C1)OC ZINC001030532817 816089247 /nfs/dbraw/zinc/08/92/47/816089247.db2.gz WTNNCYFWVFDXCX-KBPBESRZSA-N 2 2 283.416 0.696 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](C[C@@H]2CCOC2)C1 ZINC001030533571 816092093 /nfs/dbraw/zinc/09/20/93/816092093.db2.gz RGJRPUWHGWJTOO-GXTWGEPZSA-N 2 2 281.400 0.308 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](C[C@@H]2CCOC2)C1 ZINC001030533571 816092098 /nfs/dbraw/zinc/09/20/98/816092098.db2.gz RGJRPUWHGWJTOO-GXTWGEPZSA-N 2 2 281.400 0.308 20 0 CCADLP O=C(C[NH2+]C[C@H](O)C[NH+]1CCCC1)NC1CCCC1 ZINC001120573820 816143552 /nfs/dbraw/zinc/14/35/52/816143552.db2.gz IQBDCPXWZIPPNK-ZDUSSCGKSA-N 2 2 269.389 0.092 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001106064989 816144766 /nfs/dbraw/zinc/14/47/66/816144766.db2.gz MDTYWHHECWEPCY-FRRDWIJNSA-N 2 2 294.399 0.407 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001030960333 816506912 /nfs/dbraw/zinc/50/69/12/816506912.db2.gz RGXLFCXLYLVTDQ-RYUDHWBXSA-N 2 2 269.389 0.164 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001030960333 816506917 /nfs/dbraw/zinc/50/69/17/816506917.db2.gz RGXLFCXLYLVTDQ-RYUDHWBXSA-N 2 2 269.389 0.164 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001030965215 816513171 /nfs/dbraw/zinc/51/31/71/816513171.db2.gz ZFGCHNMUCIZUEF-GFCCVEGCSA-N 2 2 283.416 0.554 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001030965215 816513174 /nfs/dbraw/zinc/51/31/74/816513174.db2.gz ZFGCHNMUCIZUEF-GFCCVEGCSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)=CC[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001030965202 816513186 /nfs/dbraw/zinc/51/31/86/816513186.db2.gz YIHFGPZFABYPFC-JSGCOSHPSA-N 2 2 265.401 0.951 20 0 CCADLP CC(C)=CC[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001030965202 816513189 /nfs/dbraw/zinc/51/31/89/816513189.db2.gz YIHFGPZFABYPFC-JSGCOSHPSA-N 2 2 265.401 0.951 20 0 CCADLP [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000715156969 816578683 /nfs/dbraw/zinc/57/86/83/816578683.db2.gz SVVOZWPLEFCFBL-RYUDHWBXSA-N 2 2 260.341 0.325 20 0 CCADLP COCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001106223518 816663432 /nfs/dbraw/zinc/66/34/32/816663432.db2.gz IGSJBHLSZAFRCU-CHWSQXEVSA-N 2 2 294.399 0.673 20 0 CCADLP COCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001106223518 816663435 /nfs/dbraw/zinc/66/34/35/816663435.db2.gz IGSJBHLSZAFRCU-CHWSQXEVSA-N 2 2 294.399 0.673 20 0 CCADLP [NH3+][C@@H](C(=O)N[C@@H]1C[C@@H]([NH3+])C1)c1c(F)cccc1F ZINC001122489378 816710675 /nfs/dbraw/zinc/71/06/75/816710675.db2.gz FUFJSLFKABKNJU-OPVBNTEQSA-N 2 2 255.268 0.571 20 0 CCADLP COC[C@@H](C)[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001168492926 816832272 /nfs/dbraw/zinc/83/22/72/816832272.db2.gz ACZRFHXVFZTMHE-CYBMUJFWSA-N 2 2 294.399 0.794 20 0 CCADLP CC[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001168493243 816835620 /nfs/dbraw/zinc/83/56/20/816835620.db2.gz UWGZBKWDVPDBPI-UHFFFAOYSA-N 2 2 250.346 0.779 20 0 CCADLP COCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001106799669 816918551 /nfs/dbraw/zinc/91/85/51/816918551.db2.gz LHVUQXGXLDHNCG-VXGBXAGGSA-N 2 2 280.372 0.283 20 0 CCADLP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1ccc(OCCO)cc1)C2 ZINC001235993888 816982127 /nfs/dbraw/zinc/98/21/27/816982127.db2.gz OVMBPRXFYREPAX-ZFWWWQNUSA-N 2 2 262.353 0.981 20 0 CCADLP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1ccc(OCCO)cc1)C2 ZINC001235993888 816982132 /nfs/dbraw/zinc/98/21/32/816982132.db2.gz OVMBPRXFYREPAX-ZFWWWQNUSA-N 2 2 262.353 0.981 20 0 CCADLP Cc1cc(F)ncc1C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235999018 816985499 /nfs/dbraw/zinc/98/54/99/816985499.db2.gz VSJUFPKRINAGIQ-ONXXMXGDSA-N 2 2 265.332 0.935 20 0 CCADLP Cc1cc(F)ncc1C[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235999018 816985504 /nfs/dbraw/zinc/98/55/04/816985504.db2.gz VSJUFPKRINAGIQ-ONXXMXGDSA-N 2 2 265.332 0.935 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)NC2C[NH+](C[C@@H]3CC(C)(C)CO3)C2)C1 ZINC001031384735 817018116 /nfs/dbraw/zinc/01/81/16/817018116.db2.gz KODQWIHOMFCRFZ-OCCSQVGLSA-N 2 2 295.427 0.554 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)NC2C[NH+](C[C@@H]3CC(C)(C)CO3)C2)C1 ZINC001031384735 817018124 /nfs/dbraw/zinc/01/81/24/817018124.db2.gz KODQWIHOMFCRFZ-OCCSQVGLSA-N 2 2 295.427 0.554 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC1C[NH+](CC[C@H]2CCOC2)C1 ZINC001031391511 817027167 /nfs/dbraw/zinc/02/71/67/817027167.db2.gz HWXDUUYCPYFIKA-ZDUSSCGKSA-N 2 2 292.383 0.419 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](C/C=C\Cl)C1 ZINC001031585214 817165067 /nfs/dbraw/zinc/16/50/67/817165067.db2.gz SCJFEPCTHRVBCX-KTLBGCOUSA-N 2 2 271.792 0.881 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](C/C=C\Cl)C1 ZINC001031585214 817165069 /nfs/dbraw/zinc/16/50/69/817165069.db2.gz SCJFEPCTHRVBCX-KTLBGCOUSA-N 2 2 271.792 0.881 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC1OCCO1 ZINC000180200085 817325109 /nfs/dbraw/zinc/32/51/09/817325109.db2.gz UPBDBOLKWDNZBJ-UHFFFAOYSA-N 2 2 271.405 0.317 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC1OCCO1 ZINC000180200085 817325114 /nfs/dbraw/zinc/32/51/14/817325114.db2.gz UPBDBOLKWDNZBJ-UHFFFAOYSA-N 2 2 271.405 0.317 20 0 CCADLP COCC[NH+]1CC(CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001031799972 817374807 /nfs/dbraw/zinc/37/48/07/817374807.db2.gz NUTFEXLGPFNVCN-UHFFFAOYSA-N 2 2 296.371 0.044 20 0 CCADLP CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@@H](O)C1 ZINC001083768477 817428481 /nfs/dbraw/zinc/42/84/81/817428481.db2.gz CXODWFCIPDJVQX-JLLWLGSASA-N 2 2 278.356 0.011 20 0 CCADLP CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@@H](O)C1 ZINC001083768477 817428486 /nfs/dbraw/zinc/42/84/86/817428486.db2.gz CXODWFCIPDJVQX-JLLWLGSASA-N 2 2 278.356 0.011 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)o1 ZINC001127685235 817447557 /nfs/dbraw/zinc/44/75/57/817447557.db2.gz JPBZYXHERWKNGI-DGCLKSJQSA-N 2 2 294.399 0.783 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)o1 ZINC001127685235 817447561 /nfs/dbraw/zinc/44/75/61/817447561.db2.gz JPBZYXHERWKNGI-DGCLKSJQSA-N 2 2 294.399 0.783 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2nnc(C)o2)CC[N@@H+]1C ZINC001127695270 817462446 /nfs/dbraw/zinc/46/24/46/817462446.db2.gz IBJSOVODNWRSMQ-NWDGAFQWSA-N 2 2 295.387 0.314 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2nnc(C)o2)CC[N@H+]1C ZINC001127695270 817462449 /nfs/dbraw/zinc/46/24/49/817462449.db2.gz IBJSOVODNWRSMQ-NWDGAFQWSA-N 2 2 295.387 0.314 20 0 CCADLP Cc1cc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)no1 ZINC001124837604 817591626 /nfs/dbraw/zinc/59/16/26/817591626.db2.gz OPHIACVOPIEFMJ-LBPRGKRZSA-N 2 2 266.345 0.283 20 0 CCADLP Cc1cc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)no1 ZINC001124837604 817591630 /nfs/dbraw/zinc/59/16/30/817591630.db2.gz OPHIACVOPIEFMJ-LBPRGKRZSA-N 2 2 266.345 0.283 20 0 CCADLP Cc1nc(NC/C=C/CNC(=O)[C@H]2CCC[N@H+]2C)cc[nH+]1 ZINC001107116774 817767404 /nfs/dbraw/zinc/76/74/04/817767404.db2.gz MTUHYCSMIGJWPW-ITDFMYJTSA-N 2 2 289.383 0.964 20 0 CCADLP Cc1nc(NC/C=C/CNC(=O)[C@H]2CCC[N@@H+]2C)cc[nH+]1 ZINC001107116774 817767408 /nfs/dbraw/zinc/76/74/08/817767408.db2.gz MTUHYCSMIGJWPW-ITDFMYJTSA-N 2 2 289.383 0.964 20 0 CCADLP CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC000996458331 817808902 /nfs/dbraw/zinc/80/89/02/817808902.db2.gz UMYGXWPPXNNSLQ-SNVBAGLBSA-N 2 2 250.346 0.799 20 0 CCADLP CO[C@@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001032815025 818040748 /nfs/dbraw/zinc/04/07/48/818040748.db2.gz VQHOJVCHVSYBIO-AVGNSLFASA-N 2 2 278.356 0.203 20 0 CCADLP CO[C@@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001032815025 818040755 /nfs/dbraw/zinc/04/07/55/818040755.db2.gz VQHOJVCHVSYBIO-AVGNSLFASA-N 2 2 278.356 0.203 20 0 CCADLP CC(C)=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001032971868 818395212 /nfs/dbraw/zinc/39/52/12/818395212.db2.gz AECUKGKFYIZWHX-HUUCEWRRSA-N 2 2 295.427 0.816 20 0 CCADLP CC(C)=CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001032971868 818395219 /nfs/dbraw/zinc/39/52/19/818395219.db2.gz AECUKGKFYIZWHX-HUUCEWRRSA-N 2 2 295.427 0.816 20 0 CCADLP CC(C)=CC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001032971868 818395225 /nfs/dbraw/zinc/39/52/25/818395225.db2.gz AECUKGKFYIZWHX-HUUCEWRRSA-N 2 2 295.427 0.816 20 0 CCADLP C[C@@H](CC[NH2+]C[C@H]1CCCOC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001273044860 818521857 /nfs/dbraw/zinc/52/18/57/818521857.db2.gz PHVWQRJODZNTBT-QWHCGFSZSA-N 2 2 294.399 0.863 20 0 CCADLP COc1nnc(NC(=[NH2+])N2CC[NH+](C)CC2)cc1C ZINC001168734965 818530707 /nfs/dbraw/zinc/53/07/07/818530707.db2.gz FISYZDNQXMQSMX-UHFFFAOYSA-N 2 2 264.333 0.388 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc3c(n2)OCC[NH2+]C3)CC1 ZINC001168736041 818541447 /nfs/dbraw/zinc/54/14/47/818541447.db2.gz YGDKKGAZCRCCNX-UHFFFAOYSA-N 3 2 290.371 0.158 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cn3ccnc3cn2)CC1 ZINC001168736800 818551752 /nfs/dbraw/zinc/55/17/52/818551752.db2.gz LAFKXNKRGLDAEM-UHFFFAOYSA-N 2 2 259.317 0.323 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cc3nccc-3n[nH]2)CC1 ZINC001168737070 818559882 /nfs/dbraw/zinc/55/98/82/818559882.db2.gz UWTIUFKJCGCTTL-UHFFFAOYSA-N 2 2 259.317 0.552 20 0 CCADLP COC(=O)Cc1cc(NC(=[NH2+])N2CC[NH+](C)CC2)ccn1 ZINC001168740677 818605727 /nfs/dbraw/zinc/60/57/27/818605727.db2.gz MXBHBNOQCGLNJM-UHFFFAOYSA-N 2 2 291.355 0.391 20 0 CCADLP COc1ncc(C)cc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168740806 818608461 /nfs/dbraw/zinc/60/84/61/818608461.db2.gz ONLVWHKCRLNPNK-UHFFFAOYSA-N 2 2 263.345 0.993 20 0 CCADLP COCCn1cccc(NC(=[NH2+])N2CC[NH+](C)CC2)c1=O ZINC001168740930 818609989 /nfs/dbraw/zinc/60/99/89/818609989.db2.gz SFEIJNLYQJTZSQ-UHFFFAOYSA-N 2 2 293.371 0.089 20 0 CCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001033212237 818652947 /nfs/dbraw/zinc/65/29/47/818652947.db2.gz ROENNTGVVTZKRX-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001033212237 818652952 /nfs/dbraw/zinc/65/29/52/818652952.db2.gz ROENNTGVVTZKRX-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033591581 818841055 /nfs/dbraw/zinc/84/10/55/818841055.db2.gz VHJADJXCGGTXLF-STQMWFEESA-N 2 2 294.399 0.530 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033591581 818841063 /nfs/dbraw/zinc/84/10/63/818841063.db2.gz VHJADJXCGGTXLF-STQMWFEESA-N 2 2 294.399 0.530 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033703788 818892553 /nfs/dbraw/zinc/89/25/53/818892553.db2.gz IACRFFNSUOJUDV-CHWSQXEVSA-N 2 2 280.372 0.451 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033703788 818892556 /nfs/dbraw/zinc/89/25/56/818892556.db2.gz IACRFFNSUOJUDV-CHWSQXEVSA-N 2 2 280.372 0.451 20 0 CCADLP CC[C@H](C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1)OC ZINC001033704483 818892774 /nfs/dbraw/zinc/89/27/74/818892774.db2.gz VTFGDYYGTDDAAA-ZIAGYGMSSA-N 2 2 294.399 0.841 20 0 CCADLP CC[C@H](C[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1)OC ZINC001033704483 818892781 /nfs/dbraw/zinc/89/27/81/818892781.db2.gz VTFGDYYGTDDAAA-ZIAGYGMSSA-N 2 2 294.399 0.841 20 0 CCADLP C[S@](=O)CC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702564309 819146095 /nfs/dbraw/zinc/14/60/95/819146095.db2.gz WDOOHDQDPCMGET-YWZLYKJASA-N 2 2 296.436 0.592 20 0 CCADLP C[S@](=O)CC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702564309 819146099 /nfs/dbraw/zinc/14/60/99/819146099.db2.gz WDOOHDQDPCMGET-YWZLYKJASA-N 2 2 296.436 0.592 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001034744338 819318673 /nfs/dbraw/zinc/31/86/73/819318673.db2.gz RIAXSXXPPJPFFO-IJLUTSLNSA-N 2 2 280.372 0.350 20 0 CCADLP CC(C)=CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001035312304 819462898 /nfs/dbraw/zinc/46/28/98/819462898.db2.gz HTGFQRLOKWMEKB-LSDHHAIUSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)=CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001035312304 819462900 /nfs/dbraw/zinc/46/29/00/819462900.db2.gz HTGFQRLOKWMEKB-LSDHHAIUSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001035312304 819462902 /nfs/dbraw/zinc/46/29/02/819462902.db2.gz HTGFQRLOKWMEKB-LSDHHAIUSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001035312304 819462905 /nfs/dbraw/zinc/46/29/05/819462905.db2.gz HTGFQRLOKWMEKB-LSDHHAIUSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)=CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001035612620 819588798 /nfs/dbraw/zinc/58/87/98/819588798.db2.gz FHFFKUXMYAEJKP-GJZGRUSLSA-N 2 2 295.427 0.721 20 0 CCADLP CC(C)=CC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001035612620 819588803 /nfs/dbraw/zinc/58/88/03/819588803.db2.gz FHFFKUXMYAEJKP-GJZGRUSLSA-N 2 2 295.427 0.721 20 0 CCADLP CC(C)=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001035612620 819588807 /nfs/dbraw/zinc/58/88/07/819588807.db2.gz FHFFKUXMYAEJKP-GJZGRUSLSA-N 2 2 295.427 0.721 20 0 CCADLP CC(C)=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001035612620 819588812 /nfs/dbraw/zinc/58/88/12/819588812.db2.gz FHFFKUXMYAEJKP-GJZGRUSLSA-N 2 2 295.427 0.721 20 0 CCADLP C[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001080442988 820578115 /nfs/dbraw/zinc/57/81/15/820578115.db2.gz VTCXIUHSWGLDNY-FRRDWIJNSA-N 2 2 271.380 0.877 20 0 CCADLP C[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)C[NH+]1CCC[C@@H]1C ZINC001080442988 820578118 /nfs/dbraw/zinc/57/81/18/820578118.db2.gz VTCXIUHSWGLDNY-FRRDWIJNSA-N 2 2 271.380 0.877 20 0 CCADLP C[C@@H]1C[NH+](CCF)C[C@H]1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001080442988 820578125 /nfs/dbraw/zinc/57/81/25/820578125.db2.gz VTCXIUHSWGLDNY-FRRDWIJNSA-N 2 2 271.380 0.877 20 0 CCADLP C[C@@H]1C[NH+](CCF)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001080442988 820578131 /nfs/dbraw/zinc/57/81/31/820578131.db2.gz VTCXIUHSWGLDNY-FRRDWIJNSA-N 2 2 271.380 0.877 20 0 CCADLP C[C@@H]1C[NH+](CCF)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001080446858 820578425 /nfs/dbraw/zinc/57/84/25/820578425.db2.gz RVYXLIYNGQXHQP-YNEHKIRRSA-N 2 2 271.380 0.734 20 0 CCADLP C[C@@H]1C[NH+](CCF)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001080446858 820578435 /nfs/dbraw/zinc/57/84/35/820578435.db2.gz RVYXLIYNGQXHQP-YNEHKIRRSA-N 2 2 271.380 0.734 20 0 CCADLP C[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001080446858 820578445 /nfs/dbraw/zinc/57/84/45/820578445.db2.gz RVYXLIYNGQXHQP-YNEHKIRRSA-N 2 2 271.380 0.734 20 0 CCADLP C[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001080446858 820578453 /nfs/dbraw/zinc/57/84/53/820578453.db2.gz RVYXLIYNGQXHQP-YNEHKIRRSA-N 2 2 271.380 0.734 20 0 CCADLP CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001084866752 821415497 /nfs/dbraw/zinc/41/54/97/821415497.db2.gz GEVCBRBVEKDKKS-CHWSQXEVSA-N 2 2 262.357 0.826 20 0 CCADLP CCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001084866752 821415498 /nfs/dbraw/zinc/41/54/98/821415498.db2.gz GEVCBRBVEKDKKS-CHWSQXEVSA-N 2 2 262.357 0.826 20 0 CCADLP CCN(CC[NH2+]Cc1ncccn1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001273298780 821572810 /nfs/dbraw/zinc/57/28/10/821572810.db2.gz XXVUALLRRYUHCG-ZDUSSCGKSA-N 2 2 291.399 0.509 20 0 CCADLP CCN(CC[NH2+]Cc1ncccn1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001273298780 821572817 /nfs/dbraw/zinc/57/28/17/821572817.db2.gz XXVUALLRRYUHCG-ZDUSSCGKSA-N 2 2 291.399 0.509 20 0 CCADLP CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001085676545 821887551 /nfs/dbraw/zinc/88/75/51/821887551.db2.gz SDOMCMYYBAPGHH-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001085676545 821887560 /nfs/dbraw/zinc/88/75/60/821887560.db2.gz SDOMCMYYBAPGHH-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP C[NH+](C)Cc1ccnc(NC[C@H]2C[N@H+](C)CCO2)c1 ZINC001155201492 822091914 /nfs/dbraw/zinc/09/19/14/822091914.db2.gz FVBZAJDFPMHVII-ZDUSSCGKSA-N 2 2 264.373 0.886 20 0 CCADLP C[NH+](C)Cc1ccnc(NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC001155201492 822091921 /nfs/dbraw/zinc/09/19/21/822091921.db2.gz FVBZAJDFPMHVII-ZDUSSCGKSA-N 2 2 264.373 0.886 20 0 CCADLP COc1cncnc1N1CCC[C@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155372458 822137515 /nfs/dbraw/zinc/13/75/15/822137515.db2.gz IHDDTFXWBUGOHI-LBPRGKRZSA-N 2 2 277.372 0.345 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001086482581 822273585 /nfs/dbraw/zinc/27/35/85/822273585.db2.gz MMOPFGPWYJPOMY-FDYHWXHSSA-N 2 2 292.383 0.000 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@](C)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001108304944 822348694 /nfs/dbraw/zinc/34/86/94/822348694.db2.gz QRUBTIKFRZKGEI-OAHLLOKOSA-N 2 2 294.399 0.815 20 0 CCADLP CC(C)C[N@H+]1CCO[C@](C)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001108304944 822348706 /nfs/dbraw/zinc/34/87/06/822348706.db2.gz QRUBTIKFRZKGEI-OAHLLOKOSA-N 2 2 294.399 0.815 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NCC[NH2+]CCF)no1 ZINC001130645580 837880936 /nfs/dbraw/zinc/88/09/36/837880936.db2.gz PRMNIDDHGZMHOJ-UHFFFAOYSA-N 2 2 258.297 0.025 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]CCNC(=O)[C@@H](C2CC2)[NH+](C)C)n1 ZINC001129455366 837509092 /nfs/dbraw/zinc/50/90/92/837509092.db2.gz VDZLLECDCUCNHA-BXKDBHETSA-N 2 2 295.387 0.485 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)[C@H](C2CC2)[NH+](C)C)s1 ZINC001129436015 837509648 /nfs/dbraw/zinc/50/96/48/837509648.db2.gz LCXUOFMIIBYOBH-LBPRGKRZSA-N 2 2 297.428 0.393 20 0 CCADLP Cc1ccnc(C[NH2+]CCNC(=O)C[N@@H+](C)C2CCC2)n1 ZINC001129526729 837519304 /nfs/dbraw/zinc/51/93/04/837519304.db2.gz PSJCGDSHINCFJY-UHFFFAOYSA-N 2 2 291.399 0.475 20 0 CCADLP Cc1ccnc(C[NH2+]CCNC(=O)C[N@H+](C)C2CCC2)n1 ZINC001129526729 837519311 /nfs/dbraw/zinc/51/93/11/837519311.db2.gz PSJCGDSHINCFJY-UHFFFAOYSA-N 2 2 291.399 0.475 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C)o1 ZINC001129947189 837597437 /nfs/dbraw/zinc/59/74/37/837597437.db2.gz NMNYGRZYIJCFPA-LBPRGKRZSA-N 2 2 283.376 0.170 20 0 CCADLP C[C@@]1(CO)CCCN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001157899688 837600983 /nfs/dbraw/zinc/60/09/83/837600983.db2.gz BJRSPHLODQSQFA-TZMCWYRMSA-N 2 2 280.372 0.291 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cnc(Cl)cc2N)CC1 ZINC001157914918 837692472 /nfs/dbraw/zinc/69/24/72/837692472.db2.gz HIDYHDWPMYZMJT-UHFFFAOYSA-N 2 2 268.752 0.911 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)[C@H]2CCCC[N@H+]2C)o1 ZINC001130298024 837754782 /nfs/dbraw/zinc/75/47/82/837754782.db2.gz WAWKBPZFVVOWEO-GFCCVEGCSA-N 2 2 280.372 0.673 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)[C@H]2CCCC[N@@H+]2C)o1 ZINC001130298024 837754796 /nfs/dbraw/zinc/75/47/96/837754796.db2.gz WAWKBPZFVVOWEO-GFCCVEGCSA-N 2 2 280.372 0.673 20 0 CCADLP Cc1conc1C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001130304082 837761095 /nfs/dbraw/zinc/76/10/95/837761095.db2.gz SXHJGGXDYSUBNZ-CYBMUJFWSA-N 2 2 280.372 0.673 20 0 CCADLP Cc1conc1C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130304082 837761104 /nfs/dbraw/zinc/76/11/04/837761104.db2.gz SXHJGGXDYSUBNZ-CYBMUJFWSA-N 2 2 280.372 0.673 20 0 CCADLP CO[C@H](C)C[NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130405112 837785900 /nfs/dbraw/zinc/78/59/00/837785900.db2.gz XNEUABWSZWQEKN-NEPJUHHUSA-N 2 2 280.372 0.186 20 0 CCADLP O=C(NCC[NH2+]Cc1cccnc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130403746 837786830 /nfs/dbraw/zinc/78/68/30/837786830.db2.gz BNMYYPYTGCTJID-CQSZACIVSA-N 2 2 299.378 0.747 20 0 CCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[NH2+]CC1CC1)C2 ZINC001130491334 837804188 /nfs/dbraw/zinc/80/41/88/837804188.db2.gz QCDRNPKVTONVMM-GFCCVEGCSA-N 2 2 276.384 0.939 20 0 CCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[NH2+]CC1CC1)CC2 ZINC001130491334 837804192 /nfs/dbraw/zinc/80/41/92/837804192.db2.gz QCDRNPKVTONVMM-GFCCVEGCSA-N 2 2 276.384 0.939 20 0 CCADLP CCOCC[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130484419 837806887 /nfs/dbraw/zinc/80/68/87/837806887.db2.gz MRHSPINYCUDJLN-GFCCVEGCSA-N 2 2 280.372 0.188 20 0 CCADLP CC(C)C[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130484476 837807241 /nfs/dbraw/zinc/80/72/41/837807241.db2.gz ODXHOXCNLHXNSE-LBPRGKRZSA-N 2 2 264.373 0.807 20 0 CCADLP O=C(NCC[NH2+]CCC1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130484163 837807494 /nfs/dbraw/zinc/80/74/94/837807494.db2.gz GNIXPCYRUWQGPU-CYBMUJFWSA-N 2 2 276.384 0.951 20 0 CCADLP C[C@@H](O)CCC[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130484533 837808167 /nfs/dbraw/zinc/80/81/67/837808167.db2.gz PNQWELWYTIBMEU-CHWSQXEVSA-N 2 2 294.399 0.312 20 0 CCADLP O=C(NCC[NH2+]C[C@H]1CCOC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130484815 837808704 /nfs/dbraw/zinc/80/87/04/837808704.db2.gz WNXJRAHPTWAEKV-CHWSQXEVSA-N 2 2 292.383 0.188 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001183576748 844044579 /nfs/dbraw/zinc/04/45/79/844044579.db2.gz RLMLHKDICNTTBU-CYBMUJFWSA-N 2 2 293.367 0.470 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)CCc1ccc(N)[nH+]c1 ZINC001183936015 844114955 /nfs/dbraw/zinc/11/49/55/844114955.db2.gz PLEYONSSDJWALX-SNVBAGLBSA-N 2 2 250.346 0.663 20 0 CCADLP C[NH+]1CC2(CN(C(=O)CCc3ccc(N)[nH+]c3)C2)C1 ZINC001183937568 844114578 /nfs/dbraw/zinc/11/45/78/844114578.db2.gz YNQLNIZEFOHTKH-UHFFFAOYSA-N 2 2 260.341 0.370 20 0 CCADLP Nc1ccc(CCC(=O)N(CC[NH3+])c2cccnc2)c[nH+]1 ZINC001183935039 844114156 /nfs/dbraw/zinc/11/41/56/844114156.db2.gz GGULHLUOOMLULQ-UHFFFAOYSA-N 2 2 285.351 0.983 20 0 CCADLP C[C@]1(CNC(=O)Cn2cc[nH+]c2)C[N@H+](CC2CC2)CCO1 ZINC001108436272 836113853 /nfs/dbraw/zinc/11/38/53/836113853.db2.gz KPDLMZOCZNRNRQ-HNNXBMFYSA-N 2 2 292.383 0.500 20 0 CCADLP C[C@]1(CNC(=O)Cn2cc[nH+]c2)C[N@@H+](CC2CC2)CCO1 ZINC001108436272 836113856 /nfs/dbraw/zinc/11/38/56/836113856.db2.gz KPDLMZOCZNRNRQ-HNNXBMFYSA-N 2 2 292.383 0.500 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc([C@@H]2CCC[NH2+]2)cn1 ZINC001169066714 836122633 /nfs/dbraw/zinc/12/26/33/836122633.db2.gz GVGWPTPNDLXUOG-OCCSQVGLSA-N 3 2 287.367 0.554 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1[nH]ccc2ncnc1-2 ZINC001169071205 836123674 /nfs/dbraw/zinc/12/36/74/836123674.db2.gz HKEIMCYCPBCFNE-MRVPVSSYSA-N 2 2 258.285 0.006 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cccc2ocnc21 ZINC001169074513 836127377 /nfs/dbraw/zinc/12/73/77/836127377.db2.gz QCXAFTMXNLYSOJ-SECBINFHSA-N 2 2 258.281 0.876 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]Cc1ccc(F)cn1 ZINC001169203937 836160329 /nfs/dbraw/zinc/16/03/29/836160329.db2.gz FLBKKCCPWRBHON-UHFFFAOYSA-N 2 2 291.330 0.782 20 0 CCADLP COCCC[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169204780 836168469 /nfs/dbraw/zinc/16/84/69/836168469.db2.gz QGDAEGSZQJSOJD-UHFFFAOYSA-N 2 2 254.334 0.085 20 0 CCADLP CC[NH+]1CCC([N@@H+]2C[C@](O)(C(F)(F)F)C[C@H]2CO)CC1 ZINC001169246576 836174421 /nfs/dbraw/zinc/17/44/21/836174421.db2.gz SPSWYQYEKGWGME-RYUDHWBXSA-N 2 2 296.333 0.831 20 0 CCADLP CC[NH+]1CCC([N@H+]2C[C@](O)(C(F)(F)F)C[C@H]2CO)CC1 ZINC001169246576 836174425 /nfs/dbraw/zinc/17/44/25/836174425.db2.gz SPSWYQYEKGWGME-RYUDHWBXSA-N 2 2 296.333 0.831 20 0 CCADLP CC[NH+]1CCC([N@@H+]2CC[C@H](O)[C@@](C)(CO)C2)CC1 ZINC001169246203 836174585 /nfs/dbraw/zinc/17/45/85/836174585.db2.gz PKHWHLLPOMDHSG-UONOGXRCSA-N 2 2 256.390 0.536 20 0 CCADLP CC[NH+]1CCC([N@H+]2CC[C@H](O)[C@@](C)(CO)C2)CC1 ZINC001169246203 836174591 /nfs/dbraw/zinc/17/45/91/836174591.db2.gz PKHWHLLPOMDHSG-UONOGXRCSA-N 2 2 256.390 0.536 20 0 CCADLP C[NH+](C)C1(C(=O)NCC[NH2+]Cc2csnn2)CCC1 ZINC001129352189 836496666 /nfs/dbraw/zinc/49/66/66/836496666.db2.gz WRKQETSLNSEKSZ-UHFFFAOYSA-N 2 2 283.401 0.228 20 0 CCADLP O=C(NCCC[NH2+]CCO)c1cccc(-n2cc[nH+]c2)c1 ZINC001170023278 836732844 /nfs/dbraw/zinc/73/28/44/836732844.db2.gz XPWZVTYLVCTIHW-UHFFFAOYSA-N 2 2 288.351 0.574 20 0 CCADLP CC/C=C\CC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001112742016 836888576 /nfs/dbraw/zinc/88/85/76/836888576.db2.gz LIESMEUXBYBHDM-FOSCPCJNSA-N 2 2 295.427 0.818 20 0 CCADLP CC/C=C\CC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001112742016 836888585 /nfs/dbraw/zinc/88/85/85/836888585.db2.gz LIESMEUXBYBHDM-FOSCPCJNSA-N 2 2 295.427 0.818 20 0 CCADLP Cc1nc(-n2cncn2)cc(NC2(C)CC[NH2+]CC2)[nH+]1 ZINC001157405842 836991941 /nfs/dbraw/zinc/99/19/41/836991941.db2.gz QBZRUSJQYUZONH-UHFFFAOYSA-N 2 2 273.344 0.920 20 0 CCADLP Cc1nc(N(C)[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001113615558 837177224 /nfs/dbraw/zinc/17/72/24/837177224.db2.gz SXGJTMLYEBYAOD-WCQYABFASA-N 2 2 291.399 0.678 20 0 CCADLP Cc1nc(N(C)[C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001113615558 837177231 /nfs/dbraw/zinc/17/72/31/837177231.db2.gz SXGJTMLYEBYAOD-WCQYABFASA-N 2 2 291.399 0.678 20 0 CCADLP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H](C(=O)OC)C1 ZINC001170509488 837880105 /nfs/dbraw/zinc/88/01/05/837880105.db2.gz MMQINBACSGMNAE-GMTAPVOTSA-N 2 2 272.345 0.198 20 0 CCADLP CC(C)OCC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001184721627 844277353 /nfs/dbraw/zinc/27/73/53/844277353.db2.gz ZPNKIHZCHYBSJF-CQSZACIVSA-N 2 2 294.399 0.889 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2CC3CC2(C[NH3+])C3)cc1 ZINC001158191250 837967095 /nfs/dbraw/zinc/96/70/95/837967095.db2.gz NVHUPFWOPAQQAV-VROQLPPWSA-N 3 2 274.368 0.208 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([NH+]2CCN(CCCC[NH3+])CC2)C1 ZINC001170529383 837968692 /nfs/dbraw/zinc/96/86/92/837968692.db2.gz LKSNLBBXSFBMAX-ZIAGYGMSSA-N 2 2 283.416 0.685 20 0 CCADLP Cc1nc(C(C)C)cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158204386 837980482 /nfs/dbraw/zinc/98/04/82/837980482.db2.gz ZWINWCYVEAUFCF-LLVKDONJSA-N 2 2 275.356 0.956 20 0 CCADLP Cc1noc([C@H](C)[NH2+]CCNC(=O)Cn2c[nH+]cc2C)n1 ZINC001131387307 838081366 /nfs/dbraw/zinc/08/13/66/838081366.db2.gz KLEWQKMVSFREDZ-JTQLQIEISA-N 2 2 292.343 0.350 20 0 CCADLP COC[C@H](C)[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131656545 838170799 /nfs/dbraw/zinc/17/07/99/838170799.db2.gz RWLVABRBCLYVHE-NSHDSACASA-N 2 2 268.361 0.093 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC[NH2+]CCC1CC1 ZINC001131822495 838231701 /nfs/dbraw/zinc/23/17/01/838231701.db2.gz PVOPCFFJVLWTTM-HNNXBMFYSA-N 2 2 297.443 0.993 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC[NH2+]CCC1CC1 ZINC001131822495 838231713 /nfs/dbraw/zinc/23/17/13/838231713.db2.gz PVOPCFFJVLWTTM-HNNXBMFYSA-N 2 2 297.443 0.993 20 0 CCADLP C[NH+](C)C1(CC(=O)NCC[NH2+]Cc2cnon2)CCCC1 ZINC001131840215 838237890 /nfs/dbraw/zinc/23/78/90/838237890.db2.gz DMTTVMOWFOMUDR-UHFFFAOYSA-N 2 2 295.387 0.540 20 0 CCADLP C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]CCO ZINC001133022436 838535822 /nfs/dbraw/zinc/53/58/22/838535822.db2.gz ZOWSKOYVCZCERD-ZIAGYGMSSA-N 2 2 294.399 0.340 20 0 CCADLP CCCc1noc(C[NH2+]CCNC(=O)CCC[NH+](C)C)n1 ZINC001133040459 838538897 /nfs/dbraw/zinc/53/88/97/838538897.db2.gz RTDXBIAQMYHTSD-UHFFFAOYSA-N 2 2 297.403 0.570 20 0 CCADLP COCCC[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001133655140 838688679 /nfs/dbraw/zinc/68/86/79/838688679.db2.gz YHABWPRRFKGXJE-LLVKDONJSA-N 2 2 280.372 0.572 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)C[N@@H+]2CC[C@H](C)C2)o1 ZINC001133853836 838739863 /nfs/dbraw/zinc/73/98/63/838739863.db2.gz QOPHFIUVRBJIKH-LBPRGKRZSA-N 2 2 294.399 0.785 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)C[N@H+]2CC[C@H](C)C2)o1 ZINC001133853836 838739868 /nfs/dbraw/zinc/73/98/68/838739868.db2.gz QOPHFIUVRBJIKH-LBPRGKRZSA-N 2 2 294.399 0.785 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)o1 ZINC001133865282 838756821 /nfs/dbraw/zinc/75/68/21/838756821.db2.gz BTSFPYWWUHRGGT-CMPLNLGQSA-N 2 2 280.372 0.387 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)o1 ZINC001133865282 838756824 /nfs/dbraw/zinc/75/68/24/838756824.db2.gz BTSFPYWWUHRGGT-CMPLNLGQSA-N 2 2 280.372 0.387 20 0 CCADLP CC[C@@H](C(=O)NCC[NH2+]Cc1nc(C2CC2)no1)[NH+](C)C ZINC001133982778 838801661 /nfs/dbraw/zinc/80/16/61/838801661.db2.gz MESKGZBCXKJVJY-NSHDSACASA-N 2 2 295.387 0.493 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]Cc1ccccc1 ZINC001134406926 838962538 /nfs/dbraw/zinc/96/25/38/838962538.db2.gz IKLBZVRFRCSNNO-UHFFFAOYSA-N 2 2 258.325 0.858 20 0 CCADLP CC(C)[NH2+]CCNC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001134619141 839026850 /nfs/dbraw/zinc/02/68/50/839026850.db2.gz RQBJKRHCZBKHPL-UHFFFAOYSA-N 2 2 283.416 0.746 20 0 CCADLP CCc1cnc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)C2)o1 ZINC001185384357 844406707 /nfs/dbraw/zinc/40/67/07/844406707.db2.gz CGZICUUZOQZDBP-GFCCVEGCSA-N 2 2 294.399 0.879 20 0 CCADLP C(C[NH+]1CCOCC1)N1CC[NH+]([C@H]2CCCOCC2)CC1 ZINC001170818563 839265362 /nfs/dbraw/zinc/26/53/62/839265362.db2.gz CXVLLVTXLDZIMU-INIZCTEOSA-N 2 2 297.443 0.505 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[NH2+][C@H](C)c1nnc(C)o1 ZINC001135513115 839280181 /nfs/dbraw/zinc/28/01/81/839280181.db2.gz GXLOOBONKWDORC-SNVBAGLBSA-N 2 2 283.376 0.487 20 0 CCADLP CCc1noc([C@@H](C)[NH2+]CCNC(=O)C[NH+](CC)CC)n1 ZINC001135513591 839280777 /nfs/dbraw/zinc/28/07/77/839280777.db2.gz RHNUGRPJVTWELV-LLVKDONJSA-N 2 2 297.403 0.741 20 0 CCADLP Cc1nsc(C)c1C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135756021 839384275 /nfs/dbraw/zinc/38/42/75/839384275.db2.gz VLEMPMPMNJWGJM-UHFFFAOYSA-N 2 2 293.396 0.932 20 0 CCADLP C[C@@H](C[C@H](C)[NH2+]CCO)NC(=O)CCc1c[nH+]cn1C ZINC001136054077 839509008 /nfs/dbraw/zinc/50/90/08/839509008.db2.gz GDTGLGJDGYFYHO-RYUDHWBXSA-N 2 2 282.388 0.218 20 0 CCADLP COC(=O)Cc1c[nH]c2[nH+]ccc(N[C@@H]([NH3+])CCC[NH3+])c12 ZINC001170904815 839555766 /nfs/dbraw/zinc/55/57/66/839555766.db2.gz PSSSGVAGKLMHKE-LLVKDONJSA-N 3 2 291.355 0.714 20 0 CCADLP C[C@@H]([NH3+])CCNc1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001159773026 839571581 /nfs/dbraw/zinc/57/15/81/839571581.db2.gz RDWFMAVTMINPQF-GFCCVEGCSA-N 3 2 263.389 0.983 20 0 CCADLP C[C@@H]1CC[C@H](C[NH2+]C2C[C@@H]3COC[C@H](C2)N3C)[NH2+]C1 ZINC001246103345 839616307 /nfs/dbraw/zinc/61/63/07/839616307.db2.gz HORXZBYWTBQQLK-MLQJFRMTSA-N 2 2 267.417 0.826 20 0 CCADLP C[C@@H]1CC[C@H](CNC2C[C@@H]3COC[C@H](C2)[N@@H+]3C)[NH2+]C1 ZINC001246103345 839616322 /nfs/dbraw/zinc/61/63/22/839616322.db2.gz HORXZBYWTBQQLK-MLQJFRMTSA-N 2 2 267.417 0.826 20 0 CCADLP C[C@@H]1CC[C@H](CNC2C[C@@H]3COC[C@H](C2)[N@H+]3C)[NH2+]C1 ZINC001246103345 839616329 /nfs/dbraw/zinc/61/63/29/839616329.db2.gz HORXZBYWTBQQLK-MLQJFRMTSA-N 2 2 267.417 0.826 20 0 CCADLP F[C@@]1(C[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCCC[NH2+]C1 ZINC001246111510 839622674 /nfs/dbraw/zinc/62/26/74/839622674.db2.gz JCSRKVIHQHVPLH-STQMWFEESA-N 3 2 270.396 0.152 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)CN1 ZINC001246122058 839634500 /nfs/dbraw/zinc/63/45/00/839634500.db2.gz FGFFENZSBIVPRX-TUAOUCFPSA-N 2 2 255.362 0.012 20 0 CCADLP CCN1CC[C@@H]([NH2+][C@@H](CCCC[NH3+])C(=O)OC)CC1=O ZINC001246153835 839650288 /nfs/dbraw/zinc/65/02/88/839650288.db2.gz TUJYLTUOJMCLED-NEPJUHHUSA-N 2 2 285.388 0.258 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCNC(=O)C(F)(F)F)CC[NH2+]1 ZINC001246178676 839661981 /nfs/dbraw/zinc/66/19/81/839661981.db2.gz JTXRDOQGLTWHFH-YUMQZZPRSA-N 2 2 253.268 0.395 20 0 CCADLP COCC[N@@H+]1CC[C@@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001273509170 844459279 /nfs/dbraw/zinc/45/92/79/844459279.db2.gz RVLZTGGLYFTFLM-OAHLLOKOSA-N 2 2 292.383 0.491 20 0 CCADLP COCC[N@H+]1CC[C@@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001273509170 844459285 /nfs/dbraw/zinc/45/92/85/844459285.db2.gz RVLZTGGLYFTFLM-OAHLLOKOSA-N 2 2 292.383 0.491 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[N@@H+](CCC2CC2)C[C@H]1O ZINC001090677802 839731923 /nfs/dbraw/zinc/73/19/23/839731923.db2.gz BJXCZXUHCKQVLP-QWHCGFSZSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[N@H+](CCC2CC2)C[C@H]1O ZINC001090677802 839731926 /nfs/dbraw/zinc/73/19/26/839731926.db2.gz BJXCZXUHCKQVLP-QWHCGFSZSA-N 2 2 292.383 0.304 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@@H](NC[C@@H]([NH3+])CC(C)C)C[NH2+]1 ZINC001246308022 839781126 /nfs/dbraw/zinc/78/11/26/839781126.db2.gz GGIOYEPOEXZJDE-OUCADQQQSA-N 2 2 271.405 0.633 20 0 CCADLP CCOC(=O)[C@H]1CC[C@H]([NH2+]CCC[NH2+]CCC[NH3+])C1 ZINC001246454388 839847143 /nfs/dbraw/zinc/84/71/43/839847143.db2.gz SCAAQSRNGXMQJW-STQMWFEESA-N 3 2 271.405 0.636 20 0 CCADLP CN(C[C@H]1CC1(C)C)C(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001160710030 840142051 /nfs/dbraw/zinc/14/20/51/840142051.db2.gz KKFPJFZFUYKQFO-YPMHNXCESA-N 2 2 282.432 0.241 20 0 CCADLP Cc1cc(C[NH2+]CCCNC(=O)Cc2c[nH+]cn2C)on1 ZINC001171228859 840154742 /nfs/dbraw/zinc/15/47/42/840154742.db2.gz VJSXGSFHGVLJGC-UHFFFAOYSA-N 2 2 291.355 0.555 20 0 CCADLP CC(C)COCC[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171238107 840177126 /nfs/dbraw/zinc/17/71/26/840177126.db2.gz LSADBGUTTWFVFL-UHFFFAOYSA-N 2 2 296.415 0.731 20 0 CCADLP CCc1nnc([C@@H](C)[NH2+]CCNC(=O)CC[N@@H+](C)CC)o1 ZINC001146710670 840349798 /nfs/dbraw/zinc/34/97/98/840349798.db2.gz KQXFKEKCMPCQLL-LLVKDONJSA-N 2 2 297.403 0.741 20 0 CCADLP CCc1nnc([C@@H](C)[NH2+]CCNC(=O)CC[N@H+](C)CC)o1 ZINC001146710670 840349813 /nfs/dbraw/zinc/34/98/13/840349813.db2.gz KQXFKEKCMPCQLL-LLVKDONJSA-N 2 2 297.403 0.741 20 0 CCADLP COCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146753847 840368999 /nfs/dbraw/zinc/36/89/99/840368999.db2.gz BLZPJUVLBOTOEM-VXGBXAGGSA-N 2 2 268.361 0.402 20 0 CCADLP CC(C)=CC[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149124010 840516272 /nfs/dbraw/zinc/51/62/72/840516272.db2.gz OBRUTWGYRZFPRB-UHFFFAOYSA-N 2 2 250.346 0.933 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CC[C@H](C)F ZINC001149124030 840520113 /nfs/dbraw/zinc/52/01/13/840520113.db2.gz OUWYDIMUYARYAP-VIFPVBQESA-N 2 2 256.325 0.715 20 0 CCADLP CCOC1CC(C[NH2+]CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001149124060 840524313 /nfs/dbraw/zinc/52/43/13/840524313.db2.gz PXNKEFCJQMSGNM-UHFFFAOYSA-N 2 2 294.399 0.782 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]Cc1ccccc1 ZINC001147871669 840709528 /nfs/dbraw/zinc/70/95/28/840709528.db2.gz HKCMMAGSZVSRDV-UHFFFAOYSA-N 2 2 272.352 0.869 20 0 CCADLP COCCC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001273445769 840926833 /nfs/dbraw/zinc/92/68/33/840926833.db2.gz NWUMQALUKQTDCL-ZDUSSCGKSA-N 2 2 294.399 0.959 20 0 CCADLP COCCC[N@H+]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001273445769 840926837 /nfs/dbraw/zinc/92/68/37/840926837.db2.gz NWUMQALUKQTDCL-ZDUSSCGKSA-N 2 2 294.399 0.959 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001092138062 840997546 /nfs/dbraw/zinc/99/75/46/840997546.db2.gz SYJUNXPJVCYGBE-ZOWXZIJZSA-N 2 2 292.383 0.113 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001092138062 840997554 /nfs/dbraw/zinc/99/75/54/840997554.db2.gz SYJUNXPJVCYGBE-ZOWXZIJZSA-N 2 2 292.383 0.113 20 0 CCADLP C[C@@H]1C[N@H+](CCO)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001092695824 841055028 /nfs/dbraw/zinc/05/50/28/841055028.db2.gz HGJSUCSBZADWEF-FDYHWXHSSA-N 2 2 292.383 0.190 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001092695824 841055041 /nfs/dbraw/zinc/05/50/41/841055041.db2.gz HGJSUCSBZADWEF-FDYHWXHSSA-N 2 2 292.383 0.190 20 0 CCADLP C[C@@H]1C[N@H+](CCO)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001092695824 841055055 /nfs/dbraw/zinc/05/50/55/841055055.db2.gz HGJSUCSBZADWEF-FDYHWXHSSA-N 2 2 292.383 0.190 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001092695824 841055067 /nfs/dbraw/zinc/05/50/67/841055067.db2.gz HGJSUCSBZADWEF-FDYHWXHSSA-N 2 2 292.383 0.190 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C[C@@H]1CC2(CO1)CCOCC2 ZINC000712626934 841101696 /nfs/dbraw/zinc/10/16/96/841101696.db2.gz ZEUZVMBXPCBLOI-UPJWGTAASA-N 2 2 254.374 0.994 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1C[C@@H]1CC2(CO1)CCOCC2 ZINC000712626934 841101698 /nfs/dbraw/zinc/10/16/98/841101698.db2.gz ZEUZVMBXPCBLOI-UPJWGTAASA-N 2 2 254.374 0.994 20 0 CCADLP Cn1nnnc1C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000714405125 841201520 /nfs/dbraw/zinc/20/15/20/841201520.db2.gz PNVAYOYGKWRASQ-UHFFFAOYSA-N 2 2 252.366 0.407 20 0 CCADLP [NH3+]Cc1nccnc1Nc1c[nH+]c2c(c1)CCCN2 ZINC001171448620 841670619 /nfs/dbraw/zinc/67/06/19/841670619.db2.gz KBNCJOXBHXNWGJ-UHFFFAOYSA-N 2 2 256.313 0.911 20 0 CCADLP O=C1C[C@H]([NH2+]CC[NH+]2CCCC2)CCN1C1CC1 ZINC001172000055 841782498 /nfs/dbraw/zinc/78/24/98/841782498.db2.gz ZNLWWLNQFYPUNV-GFCCVEGCSA-N 2 2 251.374 0.825 20 0 CCADLP Cn1cc[nH+]c1CC[NH2+][C@H]1CCN(C2CC2)C(=O)C1 ZINC001172008425 841787327 /nfs/dbraw/zinc/78/73/27/841787327.db2.gz PPBCMQZSORSPIJ-NSHDSACASA-N 2 2 262.357 0.706 20 0 CCADLP [NH3+]C[C@@]1([NH2+][C@H]2CCN(C3CC3)C(=O)C2)CN2CCC1CC2 ZINC001172010629 841791378 /nfs/dbraw/zinc/79/13/78/841791378.db2.gz CARNGWNEIQQWCT-XJKSGUPXSA-N 2 2 292.427 0.153 20 0 CCADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCNC(=O)CC1)C2 ZINC001172115065 841853424 /nfs/dbraw/zinc/85/34/24/841853424.db2.gz UCNBKGRDGSQJLJ-CLLJXQQHSA-N 2 2 251.374 0.824 20 0 CCADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCNC(=O)CC1)C2 ZINC001172115065 841853426 /nfs/dbraw/zinc/85/34/26/841853426.db2.gz UCNBKGRDGSQJLJ-CLLJXQQHSA-N 2 2 251.374 0.824 20 0 CCADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCNC(=O)CC1)C2 ZINC001172115065 841853432 /nfs/dbraw/zinc/85/34/32/841853432.db2.gz UCNBKGRDGSQJLJ-CLLJXQQHSA-N 2 2 251.374 0.824 20 0 CCADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCNC(=O)CC1)C2 ZINC001172115065 841853434 /nfs/dbraw/zinc/85/34/34/841853434.db2.gz UCNBKGRDGSQJLJ-CLLJXQQHSA-N 2 2 251.374 0.824 20 0 CCADLP C[NH+]1CCC(CO)([NH2+][C@H]2CCN3C(=O)CC[C@@H]3C2)CC1 ZINC001172167325 841878865 /nfs/dbraw/zinc/87/88/65/841878865.db2.gz VOMWYNMFVSHANM-QWHCGFSZSA-N 2 2 281.400 0.186 20 0 CCADLP CCOCC[C@H](C)[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001172423582 841927076 /nfs/dbraw/zinc/92/70/76/841927076.db2.gz JOIFZGZDPQXGMR-INIZCTEOSA-N 2 2 299.459 0.751 20 0 CCADLP C[C@H](CCN(C)C(=O)OC(C)(C)C)[N@H+](CC[NH3+])CCO ZINC001172943015 841989551 /nfs/dbraw/zinc/98/95/51/841989551.db2.gz CONODKNFYSPRRJ-GFCCVEGCSA-N 2 2 289.420 0.885 20 0 CCADLP C[C@H](CCN(C)C(=O)OC(C)(C)C)[N@@H+](CC[NH3+])CCO ZINC001172943015 841989554 /nfs/dbraw/zinc/98/95/54/841989554.db2.gz CONODKNFYSPRRJ-GFCCVEGCSA-N 2 2 289.420 0.885 20 0 CCADLP CCOC(=O)C[C@H]1CC[C@H]([NH2+][C@@H]2COC[C@H]2[NH3+])C1 ZINC001173627407 842120591 /nfs/dbraw/zinc/12/05/91/842120591.db2.gz LGDHZXITAAHEQX-NNYUYHANSA-N 2 2 256.346 0.424 20 0 CCADLP c1cn(CC[NH2+][C@@H]2CCC[C@@H](n3ncnn3)C2)c[nH+]1 ZINC001173727988 842160552 /nfs/dbraw/zinc/16/05/52/842160552.db2.gz DZFJYJFGDUMTRN-VXGBXAGGSA-N 2 2 261.333 0.643 20 0 CCADLP C[C@@H](CCCC[NH2+]CCCO)NC(=O)CCn1cc[nH+]c1 ZINC001174581615 842190735 /nfs/dbraw/zinc/19/07/35/842190735.db2.gz VCJSUIHGKNMEPY-AWEZNQCLSA-N 2 2 296.415 0.920 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]C[C@H]1CC[C@H](C)O1 ZINC001174683251 842199322 /nfs/dbraw/zinc/19/93/22/842199322.db2.gz RWLYBNANUFPTMP-WCQYABFASA-N 2 2 294.399 0.924 20 0 CCADLP C[C@H](CCCC[NH2+]CCCO)NC(=O)Cc1c[nH+]cn1C ZINC001176175451 842334558 /nfs/dbraw/zinc/33/45/58/842334558.db2.gz QAWXWOXUZJVEMR-CYBMUJFWSA-N 2 2 296.415 0.610 20 0 CCADLP CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001110195994 842384559 /nfs/dbraw/zinc/38/45/59/842384559.db2.gz NJMYXBOLKYQAJR-RDBSUJKOSA-N 2 2 292.383 0.641 20 0 CCADLP CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001110195994 842384570 /nfs/dbraw/zinc/38/45/70/842384570.db2.gz NJMYXBOLKYQAJR-RDBSUJKOSA-N 2 2 292.383 0.641 20 0 CCADLP N=c1sc2c(n1C(=O)Cc1c[nH+]c[nH]1)CC[C@H]([NH3+])C2 ZINC001176833172 842419421 /nfs/dbraw/zinc/41/94/21/842419421.db2.gz CSMHFCVYWVDMRO-ZETCQYMHSA-N 2 2 277.353 0.451 20 0 CCADLP N=c1sc2c(n1C(=O)CCn1cc[nH+]c1)CC[C@H]([NH3+])C2 ZINC001176878920 842437681 /nfs/dbraw/zinc/43/76/81/842437681.db2.gz SETOOFJJWLYLAD-VIFPVBQESA-N 2 2 291.380 0.772 20 0 CCADLP CC[C@H](F)C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177404775 842579538 /nfs/dbraw/zinc/57/95/38/842579538.db2.gz GWWHVAUDINDUDO-NSHDSACASA-N 2 2 256.325 0.727 20 0 CCADLP CCO[C@@H](C[NH2+]CCCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001177406449 842580681 /nfs/dbraw/zinc/58/06/81/842580681.db2.gz XUEMOQROGJHOEA-AWEZNQCLSA-N 2 2 294.399 0.794 20 0 CCADLP C[C@@H]1COCCN1CC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001177698483 842656518 /nfs/dbraw/zinc/65/65/18/842656518.db2.gz UWPAWFDTKBEOOY-CYBMUJFWSA-N 2 2 278.400 0.958 20 0 CCADLP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CCc1[nH]cc[nH+]1 ZINC001178000351 842723243 /nfs/dbraw/zinc/72/32/43/842723243.db2.gz KGXLRCULOQGDIM-UHFFFAOYSA-N 3 2 280.376 0.406 20 0 CCADLP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178119319 842763084 /nfs/dbraw/zinc/76/30/84/842763084.db2.gz OMHRBUOCTYCKKO-JTQLQIEISA-N 2 2 286.339 0.229 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCCCCC[NH2+]CCO ZINC001180470184 843186362 /nfs/dbraw/zinc/18/63/62/843186362.db2.gz LQICXKJGFCWAOD-UHFFFAOYSA-N 2 2 268.361 0.142 20 0 CCADLP O=C(NCCn1cc[nH+]c1)c1ccn2c[nH+]cc2c1 ZINC000151438304 843400289 /nfs/dbraw/zinc/40/02/89/843400289.db2.gz HTMNMLDXTFFBNV-UHFFFAOYSA-N 2 2 255.281 0.961 20 0 CCADLP C[N@H+](C1CN(C(=O)Cc2cc[nH+]c(N)c2)C1)[C@H]1CCOC1 ZINC001181253404 843428594 /nfs/dbraw/zinc/42/85/94/843428594.db2.gz BKVYHRCOTQGQRS-LBPRGKRZSA-N 2 2 290.367 0.138 20 0 CCADLP C[N@@H+](C1CN(C(=O)Cc2cc[nH+]c(N)c2)C1)[C@H]1CCOC1 ZINC001181253404 843428601 /nfs/dbraw/zinc/42/86/01/843428601.db2.gz BKVYHRCOTQGQRS-LBPRGKRZSA-N 2 2 290.367 0.138 20 0 CCADLP Cc1cnc([C@@H](C)[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001151057421 843596398 /nfs/dbraw/zinc/59/63/98/843596398.db2.gz TVBYGEPCZVVMDG-NEPJUHHUSA-N 2 2 280.372 0.702 20 0 CCADLP Cc1cnc([C@@H](C)[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001151057421 843596412 /nfs/dbraw/zinc/59/64/12/843596412.db2.gz TVBYGEPCZVVMDG-NEPJUHHUSA-N 2 2 280.372 0.702 20 0 CCADLP COc1ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1O ZINC001206512338 843808452 /nfs/dbraw/zinc/80/84/52/843808452.db2.gz MPHBEUIORDGBAZ-JQWIXIFHSA-N 2 2 252.314 0.152 20 0 CCADLP COc1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1O ZINC001206512338 843808461 /nfs/dbraw/zinc/80/84/61/843808461.db2.gz MPHBEUIORDGBAZ-JQWIXIFHSA-N 2 2 252.314 0.152 20 0 CCADLP C[NH+](C)C1(C(=O)N2CC[NH+](CCC(C)(C)O)CC2)CC1 ZINC001182596634 843859352 /nfs/dbraw/zinc/85/93/52/843859352.db2.gz BJLKJRSYYHOJLF-UHFFFAOYSA-N 2 2 283.416 0.386 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@]1(C)C[NH2+]CCCO ZINC001182750028 843900253 /nfs/dbraw/zinc/90/02/53/843900253.db2.gz GUMQRAYAWXNFIL-IUODEOHRSA-N 2 2 294.399 0.409 20 0 CCADLP C[C@@H](O)CCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001183115632 843966910 /nfs/dbraw/zinc/96/69/10/843966910.db2.gz JJQZPFWPYMCVMD-TZMCWYRMSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@@H](O)CCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001183115632 843966916 /nfs/dbraw/zinc/96/69/16/843966916.db2.gz JJQZPFWPYMCVMD-TZMCWYRMSA-N 2 2 294.399 0.694 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@@H]([NH2+]CCCF)C1 ZINC001183115174 843967170 /nfs/dbraw/zinc/96/71/70/843967170.db2.gz DRGQQLXTEHPRRZ-GFCCVEGCSA-N 2 2 268.336 0.892 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]CCCF)C1 ZINC001183115174 843967173 /nfs/dbraw/zinc/96/71/73/843967173.db2.gz DRGQQLXTEHPRRZ-GFCCVEGCSA-N 2 2 268.336 0.892 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001183115900 843967508 /nfs/dbraw/zinc/96/75/08/843967508.db2.gz KOBRWSIZMSGZKS-DGCLKSJQSA-N 2 2 280.372 0.568 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001183115900 843967512 /nfs/dbraw/zinc/96/75/12/843967512.db2.gz KOBRWSIZMSGZKS-DGCLKSJQSA-N 2 2 280.372 0.568 20 0 CCADLP C[C@H](CN1CC[N@H+](C)CC1(C)C)C[NH+]1CCOCC1 ZINC001192261922 845810192 /nfs/dbraw/zinc/81/01/92/845810192.db2.gz MHIRUARMNLYYTO-AWEZNQCLSA-N 2 2 269.433 0.981 20 0 CCADLP C[C@H](CN1CC[N@@H+](C)CC1(C)C)C[NH+]1CCOCC1 ZINC001192261922 845810200 /nfs/dbraw/zinc/81/02/00/845810200.db2.gz MHIRUARMNLYYTO-AWEZNQCLSA-N 2 2 269.433 0.981 20 0 CCADLP COC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193047688 845963464 /nfs/dbraw/zinc/96/34/64/845963464.db2.gz IZSIHDKWCIZBML-NWDGAFQWSA-N 2 2 280.372 0.520 20 0 CCADLP COC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193047688 845963468 /nfs/dbraw/zinc/96/34/68/845963468.db2.gz IZSIHDKWCIZBML-NWDGAFQWSA-N 2 2 280.372 0.520 20 0 CCADLP COCC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001193463201 846083309 /nfs/dbraw/zinc/08/33/09/846083309.db2.gz RXTZRZVIMNNGHK-LBPRGKRZSA-N 2 2 294.399 0.866 20 0 CCADLP COCC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001193463201 846083317 /nfs/dbraw/zinc/08/33/17/846083317.db2.gz RXTZRZVIMNNGHK-LBPRGKRZSA-N 2 2 294.399 0.866 20 0 CCADLP COCCC[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194448275 846302718 /nfs/dbraw/zinc/30/27/18/846302718.db2.gz AOMSUNVFJBZYHO-CYBMUJFWSA-N 2 2 280.372 0.452 20 0 CCADLP COCCC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194448275 846302728 /nfs/dbraw/zinc/30/27/28/846302728.db2.gz AOMSUNVFJBZYHO-CYBMUJFWSA-N 2 2 280.372 0.452 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NCC[NH2+][C@H](C)c1csnn1 ZINC001152432155 847083624 /nfs/dbraw/zinc/08/36/24/847083624.db2.gz HSKVFAUVLPVKSM-SNVBAGLBSA-N 2 2 285.417 0.645 20 0 CCADLP COCCC[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001198367971 847096686 /nfs/dbraw/zinc/09/66/86/847096686.db2.gz HHJJFUTYVNTYCR-UHFFFAOYSA-N 2 2 280.372 0.454 20 0 CCADLP COCCC[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001198367971 847096687 /nfs/dbraw/zinc/09/66/87/847096687.db2.gz HHJJFUTYVNTYCR-UHFFFAOYSA-N 2 2 280.372 0.454 20 0 CCADLP CCC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CCCO1 ZINC001200366904 847614869 /nfs/dbraw/zinc/61/48/69/847614869.db2.gz KBPDRURLCGGUBY-CYBMUJFWSA-N 2 2 294.399 0.959 20 0 CCADLP CCC[N@H+]1Cc2nccn2C[C@H](CN2CC[NH+](C)CC2)C1 ZINC001201642600 847800259 /nfs/dbraw/zinc/80/02/59/847800259.db2.gz ZXVBMERNWYSOQN-OAHLLOKOSA-N 2 2 291.443 0.972 20 0 CCADLP CCC[N@@H+]1Cc2nccn2C[C@H](CN2CC[NH+](C)CC2)C1 ZINC001201642600 847800262 /nfs/dbraw/zinc/80/02/62/847800262.db2.gz ZXVBMERNWYSOQN-OAHLLOKOSA-N 2 2 291.443 0.972 20 0 CCADLP Cc1cc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCC[N@H+]2C)no1 ZINC001273909395 847819043 /nfs/dbraw/zinc/81/90/43/847819043.db2.gz FAIGEOIZCVXCBU-RDFMZFSFSA-N 2 2 292.383 0.839 20 0 CCADLP Cc1cc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCC[N@@H+]2C)no1 ZINC001273909395 847819057 /nfs/dbraw/zinc/81/90/57/847819057.db2.gz FAIGEOIZCVXCBU-RDFMZFSFSA-N 2 2 292.383 0.839 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@@H](O)c1ccccc1F ZINC000717299526 848223354 /nfs/dbraw/zinc/22/33/54/848223354.db2.gz WGGJIURGMHSABT-ZWNOBZJWSA-N 2 2 256.321 0.371 20 0 CCADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000717300067 848223404 /nfs/dbraw/zinc/22/34/04/848223404.db2.gz ZBBFRZAUKBUZDB-QWHCGFSZSA-N 2 2 256.321 0.371 20 0 CCADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000717317702 848227855 /nfs/dbraw/zinc/22/78/55/848227855.db2.gz MYHWBTUSHPPNMA-CABZTGNLSA-N 2 2 274.311 0.510 20 0 CCADLP C[C@H](C[NH2+]C/C=C/Cl)NC(=O)Cc1[nH]cc[nH+]1 ZINC001274968031 848603996 /nfs/dbraw/zinc/60/39/96/848603996.db2.gz SKHLJCFUTYAWKE-GKQMSVHHSA-N 2 2 256.737 0.799 20 0 CCADLP c1cn(CCN2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c[nH+]1 ZINC001275137860 848648139 /nfs/dbraw/zinc/64/81/39/848648139.db2.gz HJXSHXUFYLMPHV-GASCZTMLSA-N 2 2 276.384 0.678 20 0 CCADLP c1cn(CCN2C[C@H]3C[C@@H](C2)[N@H+]3C[C@@H]2CCOC2)c[nH+]1 ZINC001275172820 848655523 /nfs/dbraw/zinc/65/55/23/848655523.db2.gz WKCBITQDZYAMDG-SOUVJXGZSA-N 2 2 276.384 0.678 20 0 CCADLP c1cn(CCN2C[C@H]3C[C@@H](C2)[N@@H+]3C[C@@H]2CCOC2)c[nH+]1 ZINC001275172820 848655528 /nfs/dbraw/zinc/65/55/28/848655528.db2.gz WKCBITQDZYAMDG-SOUVJXGZSA-N 2 2 276.384 0.678 20 0 CCADLP C[C@@H](C[NH2+]CC1CC1)NC(=O)CCc1c[nH+]cn1C ZINC001275427445 848719476 /nfs/dbraw/zinc/71/94/76/848719476.db2.gz CSZSCVWHOHUYON-NSHDSACASA-N 2 2 264.373 0.857 20 0 CCADLP COCCC[N@H+](C)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001275963191 848875233 /nfs/dbraw/zinc/87/52/33/848875233.db2.gz NCRRNRIEFXFCNV-LLVKDONJSA-N 2 2 268.361 0.425 20 0 CCADLP COCCC[N@@H+](C)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001275963191 848875236 /nfs/dbraw/zinc/87/52/36/848875236.db2.gz NCRRNRIEFXFCNV-LLVKDONJSA-N 2 2 268.361 0.425 20 0 CCADLP Cc1cc(C[NH+]2CC3(CN(CC[NH+](C)C)C3)C2)n(C)n1 ZINC001276264621 848978762 /nfs/dbraw/zinc/97/87/62/848978762.db2.gz QNDZKTKSDUBADL-UHFFFAOYSA-N 2 2 277.416 0.408 20 0 CCADLP Cn1cnc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c1 ZINC001276273250 848980810 /nfs/dbraw/zinc/98/08/10/848980810.db2.gz PHKUKEJOORLNNQ-GJZGRUSLSA-N 2 2 277.416 0.630 20 0 CCADLP Cn1cnc(C[N@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c1 ZINC001276273250 848980814 /nfs/dbraw/zinc/98/08/14/848980814.db2.gz PHKUKEJOORLNNQ-GJZGRUSLSA-N 2 2 277.416 0.630 20 0 CCADLP CCOC(=O)CCC[C@H](C)[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC001258102851 849148307 /nfs/dbraw/zinc/14/83/07/849148307.db2.gz JLXJDLQYTNQHKF-NWDGAFQWSA-N 2 2 258.362 0.768 20 0 CCADLP CCOC(=O)CCC[C@H](C)[N@H+]1CCO[C@H](C[NH3+])C1 ZINC001258102851 849148312 /nfs/dbraw/zinc/14/83/12/849148312.db2.gz JLXJDLQYTNQHKF-NWDGAFQWSA-N 2 2 258.362 0.768 20 0 CCADLP C[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000037800856 849255586 /nfs/dbraw/zinc/25/55/86/849255586.db2.gz QFQHGPIFDWTJQQ-SNVBAGLBSA-N 2 2 253.371 0.740 20 0 CCADLP CCS(=O)(=O)CC[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037904646 849278249 /nfs/dbraw/zinc/27/82/49/849278249.db2.gz NAZPYVXEWVUKPN-NSHDSACASA-N 2 2 260.403 0.495 20 0 CCADLP CCS(=O)(=O)CC[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037904646 849278252 /nfs/dbraw/zinc/27/82/52/849278252.db2.gz NAZPYVXEWVUKPN-NSHDSACASA-N 2 2 260.403 0.495 20 0 CCADLP Cc1conc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114779031 849392896 /nfs/dbraw/zinc/39/28/96/849392896.db2.gz WCWOHEAMRLJNCP-JYAVWHMHSA-N 2 2 292.383 0.481 20 0 CCADLP Cc1conc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114779031 849392905 /nfs/dbraw/zinc/39/29/05/849392905.db2.gz WCWOHEAMRLJNCP-JYAVWHMHSA-N 2 2 292.383 0.481 20 0 CCADLP CC[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1[NH2+]CCO ZINC001037996345 849629590 /nfs/dbraw/zinc/62/95/90/849629590.db2.gz KENIYCBQIHTMRX-STQMWFEESA-N 2 2 280.372 0.092 20 0 CCADLP CC(C)C[NH+]1CCN(C(=O)c2ncoc2C[NH3+])CC1 ZINC000721483545 849823815 /nfs/dbraw/zinc/82/38/15/849823815.db2.gz OMZVUOXYJZIYAI-UHFFFAOYSA-N 2 2 266.345 0.547 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCO ZINC001039528170 850210328 /nfs/dbraw/zinc/21/03/28/850210328.db2.gz IMBPVFOFFCYNCJ-HZSPNIEDSA-N 2 2 281.400 0.138 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCO ZINC001039528170 850210336 /nfs/dbraw/zinc/21/03/36/850210336.db2.gz IMBPVFOFFCYNCJ-HZSPNIEDSA-N 2 2 281.400 0.138 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCO ZINC001039528170 850210345 /nfs/dbraw/zinc/21/03/45/850210345.db2.gz IMBPVFOFFCYNCJ-HZSPNIEDSA-N 2 2 281.400 0.138 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCO ZINC001039528170 850210352 /nfs/dbraw/zinc/21/03/52/850210352.db2.gz IMBPVFOFFCYNCJ-HZSPNIEDSA-N 2 2 281.400 0.138 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2CC[N@H+](CCF)[C@@H]2C1 ZINC001042310626 850611381 /nfs/dbraw/zinc/61/13/81/850611381.db2.gz VKXNJRPMEQUENV-GXTWGEPZSA-N 2 2 294.374 0.855 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2CC[N@@H+](CCF)[C@@H]2C1 ZINC001042310626 850611389 /nfs/dbraw/zinc/61/13/89/850611389.db2.gz VKXNJRPMEQUENV-GXTWGEPZSA-N 2 2 294.374 0.855 20 0 CCADLP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1C[NH+](CCOC2CCC2)C1 ZINC001042545695 850690665 /nfs/dbraw/zinc/69/06/65/850690665.db2.gz GTQCSMZOHKTETA-HNNXBMFYSA-N 2 2 295.427 0.792 20 0 CCADLP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1C[NH+](CCOC2CCC2)C1 ZINC001042545695 850690671 /nfs/dbraw/zinc/69/06/71/850690671.db2.gz GTQCSMZOHKTETA-HNNXBMFYSA-N 2 2 295.427 0.792 20 0 CCADLP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+](CCCF)C1 ZINC001042545359 850691807 /nfs/dbraw/zinc/69/18/07/850691807.db2.gz CHLWUHGZATUFOR-GFCCVEGCSA-N 2 2 257.353 0.583 20 0 CCADLP CN(C(=O)[C@H]1CCC[N@H+]1C)C1C[NH+](CCCF)C1 ZINC001042545359 850691809 /nfs/dbraw/zinc/69/18/09/850691809.db2.gz CHLWUHGZATUFOR-GFCCVEGCSA-N 2 2 257.353 0.583 20 0 CCADLP CC[C@@H](C[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1)OC ZINC001042547894 850694217 /nfs/dbraw/zinc/69/42/17/850694217.db2.gz ZRTHGNVWQKGYCG-KBPBESRZSA-N 2 2 283.416 0.648 20 0 CCADLP CC[C@@H](C[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1)OC ZINC001042547894 850694221 /nfs/dbraw/zinc/69/42/21/850694221.db2.gz ZRTHGNVWQKGYCG-KBPBESRZSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CC(N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001043674650 850920439 /nfs/dbraw/zinc/92/04/39/850920439.db2.gz PQYJTHCZSONZJV-LBPRGKRZSA-N 2 2 276.384 0.916 20 0 CCADLP Cc1[nH+]c[nH]c1CC[NH2+]C[C@@H](O)C(=O)OC(C)(C)C ZINC001253697774 850934497 /nfs/dbraw/zinc/93/44/97/850934497.db2.gz ACIFGJMIMUZIBT-LLVKDONJSA-N 2 2 269.345 0.553 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+]CCO)C[C@@H]1C ZINC001044842306 851167116 /nfs/dbraw/zinc/16/71/16/851167116.db2.gz RESJAOYTINSIIF-CMPLNLGQSA-N 2 2 280.372 0.222 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]2C[NH2+]CC2CC2)C1 ZINC001044972659 851196943 /nfs/dbraw/zinc/19/69/43/851196943.db2.gz ZDVYZZVEYPXVEQ-KBPBESRZSA-N 2 2 281.400 0.308 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]2C[NH2+]CC2CC2)C1 ZINC001044972659 851196951 /nfs/dbraw/zinc/19/69/51/851196951.db2.gz ZDVYZZVEYPXVEQ-KBPBESRZSA-N 2 2 281.400 0.308 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@]2(C)CC[NH+](CCCF)C2)C1 ZINC001046218825 851425340 /nfs/dbraw/zinc/42/53/40/851425340.db2.gz LMFQDVXUURTIEO-TZMCWYRMSA-N 2 2 287.379 0.257 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@]2(C)CC[NH+](CCCF)C2)C1 ZINC001046218825 851425355 /nfs/dbraw/zinc/42/53/55/851425355.db2.gz LMFQDVXUURTIEO-TZMCWYRMSA-N 2 2 287.379 0.257 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N[C@]2(C)CC[N@H+](CCCF)C2)C1 ZINC001046218825 851425365 /nfs/dbraw/zinc/42/53/65/851425365.db2.gz LMFQDVXUURTIEO-TZMCWYRMSA-N 2 2 287.379 0.257 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CCCF)C2)C1 ZINC001046218825 851425372 /nfs/dbraw/zinc/42/53/72/851425372.db2.gz LMFQDVXUURTIEO-TZMCWYRMSA-N 2 2 287.379 0.257 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@]2(C)CC[NH+](CCF)C2)O1 ZINC001046417267 851494302 /nfs/dbraw/zinc/49/43/02/851494302.db2.gz JOTUDJIZOHMPLH-BZPMIXESSA-N 2 2 287.379 0.256 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@]2(C)CC[NH+](CCF)C2)O1 ZINC001046417267 851494306 /nfs/dbraw/zinc/49/43/06/851494306.db2.gz JOTUDJIZOHMPLH-BZPMIXESSA-N 2 2 287.379 0.256 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]2(C)CC[N@H+](CCF)C2)O1 ZINC001046417267 851494315 /nfs/dbraw/zinc/49/43/15/851494315.db2.gz JOTUDJIZOHMPLH-BZPMIXESSA-N 2 2 287.379 0.256 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CCF)C2)O1 ZINC001046417267 851494321 /nfs/dbraw/zinc/49/43/21/851494321.db2.gz JOTUDJIZOHMPLH-BZPMIXESSA-N 2 2 287.379 0.256 20 0 CCADLP C[C@]1(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC[N@H+](CCO)C1 ZINC001046608949 851566290 /nfs/dbraw/zinc/56/62/90/851566290.db2.gz GYHCDDUNUQDSQX-ABAIWWIYSA-N 2 2 292.383 0.403 20 0 CCADLP C[C@]1(NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC[N@@H+](CCO)C1 ZINC001046608949 851566300 /nfs/dbraw/zinc/56/63/00/851566300.db2.gz GYHCDDUNUQDSQX-ABAIWWIYSA-N 2 2 292.383 0.403 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCF ZINC001096655133 852420250 /nfs/dbraw/zinc/42/02/50/852420250.db2.gz MMDPZFAJUSWCTH-AGIUHOORSA-N 2 2 280.347 0.964 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCF ZINC001096655133 852420255 /nfs/dbraw/zinc/42/02/55/852420255.db2.gz MMDPZFAJUSWCTH-AGIUHOORSA-N 2 2 280.347 0.964 20 0 CCADLP C[C@H](O)C[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001052824440 852659061 /nfs/dbraw/zinc/65/90/61/852659061.db2.gz XSNJEDPZCDSNCI-RYUDHWBXSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H](O)C[N@H+]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001052824440 852659064 /nfs/dbraw/zinc/65/90/64/852659064.db2.gz XSNJEDPZCDSNCI-RYUDHWBXSA-N 2 2 280.372 0.304 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001052823758 852659803 /nfs/dbraw/zinc/65/98/03/852659803.db2.gz NDMKNYGAENDKFD-STQMWFEESA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@@H](C)C[N@H+]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001052823758 852659805 /nfs/dbraw/zinc/65/98/05/852659805.db2.gz NDMKNYGAENDKFD-STQMWFEESA-N 2 2 294.399 0.958 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@@H+](C[C@H](C)O)CC1 ZINC001052896716 852666913 /nfs/dbraw/zinc/66/69/13/852666913.db2.gz CXMMHNNZGGLMCF-AAEUAGOBSA-N 2 2 294.399 0.612 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@H+](C[C@H](C)O)CC1 ZINC001052896716 852666919 /nfs/dbraw/zinc/66/69/19/852666919.db2.gz CXMMHNNZGGLMCF-AAEUAGOBSA-N 2 2 294.399 0.612 20 0 CCADLP COCC[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001052898035 852667471 /nfs/dbraw/zinc/66/74/71/852667471.db2.gz RPLXYTLBPNCEFP-ZDUSSCGKSA-N 2 2 294.399 0.878 20 0 CCADLP COCC[N@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001052898035 852667475 /nfs/dbraw/zinc/66/74/75/852667475.db2.gz RPLXYTLBPNCEFP-ZDUSSCGKSA-N 2 2 294.399 0.878 20 0 CCADLP CC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970427 852677250 /nfs/dbraw/zinc/67/72/50/852677250.db2.gz MHYYNXGGKSVOEP-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP CC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970427 852677257 /nfs/dbraw/zinc/67/72/57/852677257.db2.gz MHYYNXGGKSVOEP-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)[C@H](C(C)C)[NH+](C)C)CCO2 ZINC001053296296 852724291 /nfs/dbraw/zinc/72/42/91/852724291.db2.gz IJDKIAJWEFCBDF-ZDUSSCGKSA-N 2 2 283.416 0.506 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)C[N@@H+]1CC[C@@H](C)C1)CCO2 ZINC001053428739 852742084 /nfs/dbraw/zinc/74/20/84/852742084.db2.gz UUMAGZHWJFZZMI-CYBMUJFWSA-N 2 2 281.400 0.261 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)C[N@H+]1CC[C@@H](C)C1)CCO2 ZINC001053428739 852742092 /nfs/dbraw/zinc/74/20/92/852742092.db2.gz UUMAGZHWJFZZMI-CYBMUJFWSA-N 2 2 281.400 0.261 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2COC3(C[NH+](CC)C3)C2)CC[N@@H+]1C ZINC001053807478 852826112 /nfs/dbraw/zinc/82/61/12/852826112.db2.gz JVDDKNRVGWZQMD-MELADBBJSA-N 2 2 295.427 0.696 20 0 CCADLP 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C[N@H+]1CC[C@@H](CC(=O)NCC2([NH2+]Cc3ccon3)CC2)C1 ZINC001392950845 912283869 /nfs/dbraw/zinc/28/38/69/912283869.db2.gz RTIUHLCTZGKVHX-LBPRGKRZSA-N 2 2 292.383 0.755 20 0 CCADLP Cc1cc(C[NH2+]C2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)no1 ZINC001392956166 912288948 /nfs/dbraw/zinc/28/89/48/912288948.db2.gz CYNYMVFJDIYZET-LBPRGKRZSA-N 2 2 292.383 0.673 20 0 CCADLP Cc1cc(C[NH2+]C2(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)no1 ZINC001392956166 912288963 /nfs/dbraw/zinc/28/89/63/912288963.db2.gz CYNYMVFJDIYZET-LBPRGKRZSA-N 2 2 292.383 0.673 20 0 CCADLP CO[C@@H](C)C[NH+]1CCC(C)(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001393062662 912367004 /nfs/dbraw/zinc/36/70/04/912367004.db2.gz AAPCJXWEEQGVER-LBPRGKRZSA-N 2 2 294.399 0.958 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@]1(O)CC[N@H+](CCCF)C1 ZINC001393293966 912500493 /nfs/dbraw/zinc/50/04/93/912500493.db2.gz SFMLYZMVGNTAJS-AWEZNQCLSA-N 2 2 298.362 0.173 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@]1(O)CC[N@@H+](CCCF)C1 ZINC001393293966 912500508 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UESPHCPDPWXGMW-CYBMUJFWSA-N 2 2 294.399 0.878 20 0 CCADLP C[C@@H](O)CCC[NH+]1CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001481637584 892944404 /nfs/dbraw/zinc/94/44/04/892944404.db2.gz LMNVCTXBRZSTAX-CYBMUJFWSA-N 2 2 294.399 0.482 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1C[NH+](CC[C@H]2CCOC2)C1 ZINC001481663060 892981327 /nfs/dbraw/zinc/98/13/27/892981327.db2.gz TUAONRBVYPYRCX-ZDUSSCGKSA-N 2 2 292.383 0.358 20 0 CCADLP CC(C)OCC[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001482372513 893927822 /nfs/dbraw/zinc/92/78/22/893927822.db2.gz DKYRKEGFUMUFCL-CYBMUJFWSA-N 2 2 282.388 0.745 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1[NH2+]CCCO ZINC001482422692 893970397 /nfs/dbraw/zinc/97/03/97/893970397.db2.gz KZAJXIZVQMRLFL-TZMCWYRMSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1[NH2+]CCCO ZINC001482422692 893970408 /nfs/dbraw/zinc/97/04/08/893970408.db2.gz KZAJXIZVQMRLFL-TZMCWYRMSA-N 2 2 294.399 0.551 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CC[N@H+](C)C1 ZINC001326242715 913844867 /nfs/dbraw/zinc/84/48/67/913844867.db2.gz WFSFVRCHIISUMT-LLVKDONJSA-N 2 2 250.346 0.421 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC001326242715 913844884 /nfs/dbraw/zinc/84/48/84/913844884.db2.gz WFSFVRCHIISUMT-LLVKDONJSA-N 2 2 250.346 0.421 20 0 CCADLP CC(C)[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC000987270199 894356689 /nfs/dbraw/zinc/35/66/89/894356689.db2.gz VBWNTVFCFUYVLF-WDEREUQCSA-N 2 2 250.346 0.940 20 0 CCADLP Cc1cc(C[N@@H+](C)CCN(C)C(=O)[C@@H]2CC[NH+](C)C2)on1 ZINC001482649243 894449034 /nfs/dbraw/zinc/44/90/34/894449034.db2.gz JCIBNSPUJXQOGN-CYBMUJFWSA-N 2 2 294.399 0.825 20 0 CCADLP Cc1cc(C[N@H+](C)CCN(C)C(=O)[C@@H]2CC[NH+](C)C2)on1 ZINC001482649243 894449040 /nfs/dbraw/zinc/44/90/40/894449040.db2.gz JCIBNSPUJXQOGN-CYBMUJFWSA-N 2 2 294.399 0.825 20 0 CCADLP Cc1cc(C[NH+](C)CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)on1 ZINC001482649243 894449047 /nfs/dbraw/zinc/44/90/47/894449047.db2.gz JCIBNSPUJXQOGN-CYBMUJFWSA-N 2 2 294.399 0.825 20 0 CCADLP Cc1cc(C[NH+](C)CCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)on1 ZINC001482649243 894449054 /nfs/dbraw/zinc/44/90/54/894449054.db2.gz JCIBNSPUJXQOGN-CYBMUJFWSA-N 2 2 294.399 0.825 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)CC[NH2+]CCO)c[nH+]1 ZINC001482843452 894644257 /nfs/dbraw/zinc/64/42/57/894644257.db2.gz OVHGDGHYTAUXGV-LLVKDONJSA-N 2 2 282.388 0.403 20 0 CCADLP C[C@H](CC[NH2+]CCF)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001482845242 894645345 /nfs/dbraw/zinc/64/53/45/894645345.db2.gz JZXQELAMOKFDME-NEPJUHHUSA-N 2 2 282.363 0.899 20 0 CCADLP CO[C@H](C)C[NH2+]CC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001482886118 894665000 /nfs/dbraw/zinc/66/50/00/894665000.db2.gz REGNVUOMVGDFIN-GHMZBOCLSA-N 2 2 268.361 0.472 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[NH2+]C[C@@H]1CCCCO1 ZINC001483188558 895074486 /nfs/dbraw/zinc/07/44/86/895074486.db2.gz MTGBHAMGFPOMMY-YPMHNXCESA-N 2 2 294.399 0.924 20 0 CCADLP Cc1cc(C[NH2+]C[C@@H](C)NC(=O)Cc2c[nH+]cn2C)on1 ZINC001483184070 895074589 /nfs/dbraw/zinc/07/45/89/895074589.db2.gz IYNUJJAIUMYBGX-LLVKDONJSA-N 2 2 291.355 0.554 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H](CC[NH2+]CCCO)C1 ZINC001326411969 913940507 /nfs/dbraw/zinc/94/05/07/913940507.db2.gz QCRHSVBCNORXII-CYBMUJFWSA-N 2 2 294.399 0.173 20 0 CCADLP COCCC[NH2+]C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001483269923 895400048 /nfs/dbraw/zinc/40/00/48/895400048.db2.gz DBZGTTOBDOHKNH-JTQLQIEISA-N 2 2 254.334 0.083 20 0 CCADLP CC(C)C[NH2+]C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001483282974 895412545 /nfs/dbraw/zinc/41/25/45/895412545.db2.gz FFVGHQVHOYEEAE-NSHDSACASA-N 2 2 252.362 0.713 20 0 CCADLP CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001483354942 895492789 /nfs/dbraw/zinc/49/27/89/895492789.db2.gz DLWBPWZZSJGNBA-VXGBXAGGSA-N 2 2 264.373 0.902 20 0 CCADLP CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001483354942 895492796 /nfs/dbraw/zinc/49/27/96/895492796.db2.gz DLWBPWZZSJGNBA-VXGBXAGGSA-N 2 2 264.373 0.902 20 0 CCADLP C[C@@H](C[N@H+](C)CCCO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001483390374 895529185 /nfs/dbraw/zinc/52/91/85/895529185.db2.gz PVQWYUFIMAJVNN-YNEHKIRRSA-N 2 2 294.399 0.343 20 0 CCADLP C[C@@H](C[N@@H+](C)CCCO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001483390374 895529191 /nfs/dbraw/zinc/52/91/91/895529191.db2.gz PVQWYUFIMAJVNN-YNEHKIRRSA-N 2 2 294.399 0.343 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CC[N@H+]1CCC[C@@H](C)O ZINC001483696467 895871017 /nfs/dbraw/zinc/87/10/17/895871017.db2.gz KEKHWAVIBQKFNF-YPMHNXCESA-N 2 2 294.399 0.612 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CC[N@@H+]1CCC[C@@H](C)O ZINC001483696467 895871021 /nfs/dbraw/zinc/87/10/21/895871021.db2.gz KEKHWAVIBQKFNF-YPMHNXCESA-N 2 2 294.399 0.612 20 0 CCADLP CN(C(=O)C(C)(C)[N@H+](C)C1CCCC1)C1C[NH+](CCO)C1 ZINC001483869692 896094677 /nfs/dbraw/zinc/09/46/77/896094677.db2.gz FAAXXCZAFAUDOC-UHFFFAOYSA-N 2 2 297.443 0.774 20 0 CCADLP CN(C(=O)C(C)(C)[N@@H+](C)C1CCCC1)C1C[NH+](CCO)C1 ZINC001483869692 896094686 /nfs/dbraw/zinc/09/46/86/896094686.db2.gz FAAXXCZAFAUDOC-UHFFFAOYSA-N 2 2 297.443 0.774 20 0 CCADLP COCCCC[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001483959062 896132877 /nfs/dbraw/zinc/13/28/77/896132877.db2.gz YAAFEWFDCVNWHP-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP O=C([C@@H]1[NH2+]CC12CCCC2)N1CC[NH+](C2CC2)CC1 ZINC001521194133 896342532 /nfs/dbraw/zinc/34/25/32/896342532.db2.gz BBMGDRUUVHDBKV-ZDUSSCGKSA-N 2 2 263.385 0.825 20 0 CCADLP COCC[NH2+][C@H](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001484347800 896351672 /nfs/dbraw/zinc/35/16/72/896351672.db2.gz KGCFGAIRMZAFHS-NEPJUHHUSA-N 2 2 280.372 0.425 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCO[C@@H](C[NH2+]C/C=C/Cl)C1 ZINC001484697192 896557768 /nfs/dbraw/zinc/55/77/68/896557768.db2.gz VVSWGAXELMIUPJ-GXFZAYBSSA-N 2 2 298.774 0.522 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001397177005 914079272 /nfs/dbraw/zinc/07/92/72/914079272.db2.gz ZXOYFTBJNSBPPL-FRRDWIJNSA-N 2 2 294.399 0.862 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)CCOC1CCC1 ZINC001485363939 896991258 /nfs/dbraw/zinc/99/12/58/896991258.db2.gz AMCFEMWGIMOWMK-GFCCVEGCSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)CCOC1CCC1 ZINC001485363939 896991274 /nfs/dbraw/zinc/99/12/74/896991274.db2.gz AMCFEMWGIMOWMK-GFCCVEGCSA-N 2 2 294.399 0.958 20 0 CCADLP CCCC[C@H](C)NC(=O)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239287551 897402374 /nfs/dbraw/zinc/40/23/74/897402374.db2.gz CNSNDWHAVWFHRJ-AWEZNQCLSA-N 2 2 299.463 0.359 20 0 CCADLP CC[N@@H+]1CCO[C@](C)(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001107908192 897482956 /nfs/dbraw/zinc/48/29/56/897482956.db2.gz JFHSYAJADIONIK-CQSZACIVSA-N 2 2 280.372 0.569 20 0 CCADLP CC[N@H+]1CCO[C@](C)(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001107908192 897482967 /nfs/dbraw/zinc/48/29/67/897482967.db2.gz JFHSYAJADIONIK-CQSZACIVSA-N 2 2 280.372 0.569 20 0 CCADLP C[C@H](O)C[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001115749415 897820116 /nfs/dbraw/zinc/82/01/16/897820116.db2.gz ZYDAPYRRKCTBOS-LBPRGKRZSA-N 2 2 294.399 0.742 20 0 CCADLP C[C@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO)n1cc[nH+]c1 ZINC001032656685 897903169 /nfs/dbraw/zinc/90/31/69/897903169.db2.gz KRHQTIHAYOJYEK-RDBSUJKOSA-N 2 2 292.383 0.502 20 0 CCADLP C[C@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO)n1cc[nH+]c1 ZINC001032656685 897903174 /nfs/dbraw/zinc/90/31/74/897903174.db2.gz KRHQTIHAYOJYEK-RDBSUJKOSA-N 2 2 292.383 0.502 20 0 CCADLP CNC(=O)[C@@H]1CC12CC[NH+](Cc1c[nH+]ccc1N)CC2 ZINC001272821215 897955539 /nfs/dbraw/zinc/95/55/39/897955539.db2.gz KJUUFWLDAXLXLH-LBPRGKRZSA-N 2 2 274.368 0.842 20 0 CCADLP COCC[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1c[nH+]cc1C ZINC001397544316 914261970 /nfs/dbraw/zinc/26/19/70/914261970.db2.gz KOVMSAJKQWRNHI-CYBMUJFWSA-N 2 2 280.372 0.371 20 0 CCADLP COCC[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1c[nH+]cc1C ZINC001397544316 914261988 /nfs/dbraw/zinc/26/19/88/914261988.db2.gz KOVMSAJKQWRNHI-CYBMUJFWSA-N 2 2 280.372 0.371 20 0 CCADLP C[C@H](C(=O)NCCC1CC[NH2+]CC1)n1cc[nH+]c1 ZINC001326905667 914262589 /nfs/dbraw/zinc/26/25/89/914262589.db2.gz GFPJITCXWNHGEO-LLVKDONJSA-N 2 2 250.346 0.950 20 0 CCADLP CC(C)C[NH2+][C@@H](CO)CNC(=O)CCc1[nH+]ccn1C ZINC001486020448 898591910 /nfs/dbraw/zinc/59/19/10/898591910.db2.gz VMOABMPINGKXNA-GFCCVEGCSA-N 2 2 282.388 0.075 20 0 CCADLP C[C@H](CC(=O)NC[C@H](CO)[NH2+]CC1CC1)n1cc[nH+]c1 ZINC001486040126 898606300 /nfs/dbraw/zinc/60/63/00/898606300.db2.gz RNAQMOPOJSCUPL-DGCLKSJQSA-N 2 2 280.372 0.311 20 0 CCADLP C[C@@H]1[C@H]([NH2+]CCCO)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001486094821 898654328 /nfs/dbraw/zinc/65/43/28/898654328.db2.gz CYYOESWBDXXBOO-ZIAGYGMSSA-N 2 2 294.399 0.625 20 0 CCADLP CC(C)OCC[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001397563785 914277088 /nfs/dbraw/zinc/27/70/88/914277088.db2.gz VINCXXYCXAFNJO-AWEZNQCLSA-N 2 2 294.399 0.910 20 0 CCADLP CC(C)OCC[N@H+]1CC[C@H]1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001397563785 914277095 /nfs/dbraw/zinc/27/70/95/914277095.db2.gz VINCXXYCXAFNJO-AWEZNQCLSA-N 2 2 294.399 0.910 20 0 CCADLP CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]CCCO ZINC001486250231 898725647 /nfs/dbraw/zinc/72/56/47/898725647.db2.gz PHTDFADSSRHQBZ-LBPRGKRZSA-N 2 2 280.372 0.092 20 0 CCADLP CCC[N@H+](C)C[C@H](O)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001486356678 898815973 /nfs/dbraw/zinc/81/59/73/898815973.db2.gz MEVLRDHIKZLMCY-AWEZNQCLSA-N 2 2 296.415 0.514 20 0 CCADLP CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001486356678 898815986 /nfs/dbraw/zinc/81/59/86/898815986.db2.gz MEVLRDHIKZLMCY-AWEZNQCLSA-N 2 2 296.415 0.514 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1C[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001397671306 914321104 /nfs/dbraw/zinc/32/11/04/914321104.db2.gz KRKFPZHALLQRGH-JHJVBQTASA-N 2 2 292.383 0.473 20 0 CCADLP CCCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001327048563 914336600 /nfs/dbraw/zinc/33/66/00/914336600.db2.gz LIOXXNLTLYCXLL-AWEZNQCLSA-N 2 2 294.399 0.580 20 0 CCADLP C[C@H](O)C[NH2+][C@@H](C)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001410392313 899383087 /nfs/dbraw/zinc/38/30/87/899383087.db2.gz JWKMHRFLACVPOL-QWRGUYRKSA-N 2 2 290.367 0.994 20 0 CCADLP C[C@@H](O)C[NH2+][C@H](C)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001410392305 899383266 /nfs/dbraw/zinc/38/32/66/899383266.db2.gz JWKMHRFLACVPOL-GHMZBOCLSA-N 2 2 290.367 0.994 20 0 CCADLP CCOC(=O)c1cc(C[NH2+]CCC[NH+](C)C)[nH]n1 ZINC001327105133 914376296 /nfs/dbraw/zinc/37/62/96/914376296.db2.gz OWYUQMASXZTGDH-UHFFFAOYSA-N 2 2 254.334 0.628 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CCOCC1CCC1 ZINC001134397472 899834643 /nfs/dbraw/zinc/83/46/43/899834643.db2.gz NWWMDXPGOYGTHJ-UHFFFAOYSA-N 2 2 280.372 0.475 20 0 CCADLP CCC[N@@H+]1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001275108117 900994908 /nfs/dbraw/zinc/99/49/08/900994908.db2.gz LFMYYBHHIZUHCX-KBPBESRZSA-N 2 2 264.373 0.678 20 0 CCADLP CCC[N@H+]1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001275108117 900994913 /nfs/dbraw/zinc/99/49/13/900994913.db2.gz LFMYYBHHIZUHCX-KBPBESRZSA-N 2 2 264.373 0.678 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC001412591380 901851301 /nfs/dbraw/zinc/85/13/01/901851301.db2.gz RSFLBLJOZQQHPT-UONOGXRCSA-N 2 2 294.399 0.604 20 0 CCADLP COCC[N@@H+]1CCC[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001398232833 914578539 /nfs/dbraw/zinc/57/85/39/914578539.db2.gz OBQJJWFURYFGOQ-CYBMUJFWSA-N 2 2 294.399 0.580 20 0 CCADLP COCC[N@H+]1CCC[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001398232833 914578549 /nfs/dbraw/zinc/57/85/49/914578549.db2.gz OBQJJWFURYFGOQ-CYBMUJFWSA-N 2 2 294.399 0.580 20 0 CCADLP C[N@H+](CCC[NH3+])CCCS(=O)(=O)C(C)(C)C ZINC000718690660 902241696 /nfs/dbraw/zinc/24/16/96/902241696.db2.gz GMRSHNTVBAQFKG-UHFFFAOYSA-N 2 2 250.408 0.870 20 0 CCADLP C[N@@H+](CCC[NH3+])CCCS(=O)(=O)C(C)(C)C ZINC000718690660 902241701 /nfs/dbraw/zinc/24/17/01/902241701.db2.gz GMRSHNTVBAQFKG-UHFFFAOYSA-N 2 2 250.408 0.870 20 0 CCADLP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001327547265 914609149 /nfs/dbraw/zinc/60/91/49/914609149.db2.gz SYBVOKYKLSBHKY-NWDGAFQWSA-N 2 2 262.357 0.513 20 0 CCADLP C[C@@H]1C[N@H+](CCN2C[C@@H](C)[NH+](CCO)C[C@H]2C)CCO1 ZINC001413010948 902468036 /nfs/dbraw/zinc/46/80/36/902468036.db2.gz LIRPWHMPYYIVSM-RBSFLKMASA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2C[C@@H](C)[NH+](CCO)C[C@H]2C)CCO1 ZINC001413010948 902468038 /nfs/dbraw/zinc/46/80/38/902468038.db2.gz LIRPWHMPYYIVSM-RBSFLKMASA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H]1C[NH+](CCN2C[C@@H](C)[N@H+](CCO)C[C@H]2C)CCO1 ZINC001413010948 902468044 /nfs/dbraw/zinc/46/80/44/902468044.db2.gz LIRPWHMPYYIVSM-RBSFLKMASA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H]1C[NH+](CCN2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)CCO1 ZINC001413010948 902468048 /nfs/dbraw/zinc/46/80/48/902468048.db2.gz LIRPWHMPYYIVSM-RBSFLKMASA-N 2 2 285.432 0.094 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001327918960 902579760 /nfs/dbraw/zinc/57/97/60/902579760.db2.gz RKYAEGOSPGTIMC-ZDUSSCGKSA-N 3 2 253.390 0.440 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001327918960 902579771 /nfs/dbraw/zinc/57/97/71/902579771.db2.gz RKYAEGOSPGTIMC-ZDUSSCGKSA-N 3 2 253.390 0.440 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC001413159405 902751352 /nfs/dbraw/zinc/75/13/52/902751352.db2.gz WHDWBSZCBPRTNH-GHMZBOCLSA-N 2 2 280.372 0.174 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC001413159405 902751364 /nfs/dbraw/zinc/75/13/64/902751364.db2.gz WHDWBSZCBPRTNH-GHMZBOCLSA-N 2 2 280.372 0.174 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001413492866 902992559 /nfs/dbraw/zinc/99/25/59/902992559.db2.gz SRNRONQUAAIRSJ-UONOGXRCSA-N 2 2 292.383 0.020 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001413492866 902992570 /nfs/dbraw/zinc/99/25/70/902992570.db2.gz SRNRONQUAAIRSJ-UONOGXRCSA-N 2 2 292.383 0.020 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001413490305 902993063 /nfs/dbraw/zinc/99/30/63/902993063.db2.gz NTWPNXYPTZYPHL-FPMFFAJLSA-N 2 2 292.383 0.256 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001413490305 902993072 /nfs/dbraw/zinc/99/30/72/902993072.db2.gz NTWPNXYPTZYPHL-FPMFFAJLSA-N 2 2 292.383 0.256 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001413490305 902993085 /nfs/dbraw/zinc/99/30/85/902993085.db2.gz NTWPNXYPTZYPHL-FPMFFAJLSA-N 2 2 292.383 0.256 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001413490305 902993097 /nfs/dbraw/zinc/99/30/97/902993097.db2.gz NTWPNXYPTZYPHL-FPMFFAJLSA-N 2 2 292.383 0.256 20 0 CCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001413689352 903187181 /nfs/dbraw/zinc/18/71/81/903187181.db2.gz MMSMDLYHCCSXPA-VXGBXAGGSA-N 2 2 290.367 0.035 20 0 CCADLP CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001490932511 903258289 /nfs/dbraw/zinc/25/82/89/903258289.db2.gz HUZUKMMGWKXSBW-DCAQKATOSA-N 2 2 268.336 0.937 20 0 CCADLP COC[C@H](C)[NH2+][C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001491536069 903645853 /nfs/dbraw/zinc/64/58/53/903645853.db2.gz YRFHARLPAHIDDO-NEPJUHHUSA-N 2 2 282.388 0.482 20 0 CCADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1nccn1C ZINC001491543032 903658655 /nfs/dbraw/zinc/65/86/55/903658655.db2.gz MVFDVCZMENYURF-GFCCVEGCSA-N 2 2 290.371 0.301 20 0 CCADLP COCC[NH2+][C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001327867463 914824013 /nfs/dbraw/zinc/82/40/13/914824013.db2.gz IAAPTWFQWDJBOD-YPMHNXCESA-N 2 2 280.372 0.425 20 0 CCADLP COCC[NH2+][C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001327867463 914824032 /nfs/dbraw/zinc/82/40/32/914824032.db2.gz IAAPTWFQWDJBOD-YPMHNXCESA-N 2 2 280.372 0.425 20 0 CCADLP C[C@H]1C[C@H](C[N@H+](C)CCNC(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001377236779 904713938 /nfs/dbraw/zinc/71/39/38/904713938.db2.gz LLLIAZBQLNTZSF-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H]1C[C@H](C[N@@H+](C)CCNC(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001377236779 904713951 /nfs/dbraw/zinc/71/39/51/904713951.db2.gz LLLIAZBQLNTZSF-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC1(C[NH2+]CC2CC2)CCOCC1 ZINC001377249925 904723274 /nfs/dbraw/zinc/72/32/74/904723274.db2.gz JJJSXOFXVPQECS-UHFFFAOYSA-N 2 2 292.383 0.548 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH+](C)Cc1conc1C ZINC001377256129 904726269 /nfs/dbraw/zinc/72/62/69/904726269.db2.gz OZCYRYMMUOMGKK-UHFFFAOYSA-N 2 2 282.388 0.873 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH+](C)Cc1conc1C ZINC001377256129 904726282 /nfs/dbraw/zinc/72/62/82/904726282.db2.gz OZCYRYMMUOMGKK-UHFFFAOYSA-N 2 2 282.388 0.873 20 0 CCADLP CCC[NH+](C)CC(=O)NCC[N@H+](C)Cc1conc1C ZINC001377256129 904726292 /nfs/dbraw/zinc/72/62/92/904726292.db2.gz OZCYRYMMUOMGKK-UHFFFAOYSA-N 2 2 282.388 0.873 20 0 CCADLP CCC[NH+](C)CC(=O)NCC[N@@H+](C)Cc1conc1C ZINC001377256129 904726302 /nfs/dbraw/zinc/72/63/02/904726302.db2.gz OZCYRYMMUOMGKK-UHFFFAOYSA-N 2 2 282.388 0.873 20 0 CCADLP COCC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001377466793 904913800 /nfs/dbraw/zinc/91/38/00/904913800.db2.gz XWTIIYGQDJMOLA-CHWSQXEVSA-N 2 2 294.399 0.673 20 0 CCADLP COCC[N@H+]1CC[C@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001377466793 904913812 /nfs/dbraw/zinc/91/38/12/904913812.db2.gz XWTIIYGQDJMOLA-CHWSQXEVSA-N 2 2 294.399 0.673 20 0 CCADLP COCC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001377466793 904913820 /nfs/dbraw/zinc/91/38/20/904913820.db2.gz XWTIIYGQDJMOLA-CHWSQXEVSA-N 2 2 294.399 0.673 20 0 CCADLP COCC[N@H+]1CC[C@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001377466793 904913833 /nfs/dbraw/zinc/91/38/33/904913833.db2.gz XWTIIYGQDJMOLA-CHWSQXEVSA-N 2 2 294.399 0.673 20 0 CCADLP CCCN(C(=O)C[NH+](C)CCC)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001377663396 905087200 /nfs/dbraw/zinc/08/72/00/905087200.db2.gz QCFBINWCEGIJMO-CYBMUJFWSA-N 2 2 298.431 0.126 20 0 CCADLP CCCN(C(=O)C[NH+](C)CCC)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001377663396 905087215 /nfs/dbraw/zinc/08/72/15/905087215.db2.gz QCFBINWCEGIJMO-CYBMUJFWSA-N 2 2 298.431 0.126 20 0 CCADLP CCCN(C(=O)C[N@H+](C)CCC)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001377663396 905087231 /nfs/dbraw/zinc/08/72/31/905087231.db2.gz QCFBINWCEGIJMO-CYBMUJFWSA-N 2 2 298.431 0.126 20 0 CCADLP CCCN(C(=O)C[N@@H+](C)CCC)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001377663396 905087248 /nfs/dbraw/zinc/08/72/48/905087248.db2.gz QCFBINWCEGIJMO-CYBMUJFWSA-N 2 2 298.431 0.126 20 0 CCADLP COC[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001377674249 905088759 /nfs/dbraw/zinc/08/87/59/905088759.db2.gz YYPPCJJOXIHVCZ-CHWSQXEVSA-N 2 2 294.399 0.528 20 0 CCADLP CC[C@H](C(=O)NCC1C[NH+](Cc2conc2C)C1)[NH+](C)C ZINC001377980234 905295458 /nfs/dbraw/zinc/29/54/58/905295458.db2.gz YSFMQHSMRDTBFR-CQSZACIVSA-N 2 2 294.399 0.871 20 0 CCADLP COCC[NH+]1CC(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001377987035 905306135 /nfs/dbraw/zinc/30/61/35/905306135.db2.gz SGSKNXAENBJFOF-UHFFFAOYSA-N 2 2 280.372 0.047 20 0 CCADLP CO[C@H](C)C[NH+]1CC(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001378003064 905320739 /nfs/dbraw/zinc/32/07/39/905320739.db2.gz XXNDFFJTTHHXQX-QWHCGFSZSA-N 2 2 294.399 0.917 20 0 CCADLP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1nncs1 ZINC001378296950 905568555 /nfs/dbraw/zinc/56/85/55/905568555.db2.gz HUAKXHVTWKBZMF-WDEREUQCSA-N 2 2 297.428 0.617 20 0 CCADLP CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1nncs1 ZINC001378296950 905568571 /nfs/dbraw/zinc/56/85/71/905568571.db2.gz HUAKXHVTWKBZMF-WDEREUQCSA-N 2 2 297.428 0.617 20 0 CCADLP O=C(C[NH+]1CCCC1)NC1(CCO)C[NH+](CC2CCC2)C1 ZINC001378357847 905607967 /nfs/dbraw/zinc/60/79/67/905607967.db2.gz VOBUEFITECHCHS-UHFFFAOYSA-N 2 2 295.427 0.435 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001378612620 905710339 /nfs/dbraw/zinc/71/03/39/905710339.db2.gz GSWROLCUNDCQFC-VXGBXAGGSA-N 2 2 282.388 0.339 20 0 CCADLP C[C@H](C[NH2+]C[C@H]1CCCCO1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001378840860 905850075 /nfs/dbraw/zinc/85/00/75/905850075.db2.gz ZSLCEPPGQBVNJT-CHWSQXEVSA-N 2 2 294.399 0.958 20 0 CCADLP CN(CC[N@H+](C)Cc1ccn(C)n1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001379134823 906017504 /nfs/dbraw/zinc/01/75/04/906017504.db2.gz VFMWLUBUFSPYGU-ZDUSSCGKSA-N 2 2 293.415 0.262 20 0 CCADLP CN(CC[N@@H+](C)Cc1ccn(C)n1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001379134823 906017517 /nfs/dbraw/zinc/01/75/17/906017517.db2.gz VFMWLUBUFSPYGU-ZDUSSCGKSA-N 2 2 293.415 0.262 20 0 CCADLP CN(CC[NH+](C)Cc1ccn(C)n1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001379134823 906017525 /nfs/dbraw/zinc/01/75/25/906017525.db2.gz VFMWLUBUFSPYGU-ZDUSSCGKSA-N 2 2 293.415 0.262 20 0 CCADLP CN(CC[NH+](C)Cc1ccn(C)n1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379134823 906017542 /nfs/dbraw/zinc/01/75/42/906017542.db2.gz VFMWLUBUFSPYGU-ZDUSSCGKSA-N 2 2 293.415 0.262 20 0 CCADLP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cnon1 ZINC001379200922 906062106 /nfs/dbraw/zinc/06/21/06/906062106.db2.gz VDFCZOBXMYXIOP-CMPLNLGQSA-N 2 2 281.360 0.100 20 0 CCADLP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cnon1 ZINC001379200922 906062120 /nfs/dbraw/zinc/06/21/20/906062120.db2.gz VDFCZOBXMYXIOP-CMPLNLGQSA-N 2 2 281.360 0.100 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC001290903050 906154507 /nfs/dbraw/zinc/15/45/07/906154507.db2.gz YHTDDFDJVVOBQT-NEPJUHHUSA-N 2 2 252.362 0.976 20 0 CCADLP CC(C)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001379439858 906242713 /nfs/dbraw/zinc/24/27/13/906242713.db2.gz VQDCFRDUJDQWNF-STQMWFEESA-N 2 2 294.399 0.168 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001380056744 906614875 /nfs/dbraw/zinc/61/48/75/906614875.db2.gz VUSGLJAYLYOJLA-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001380056744 906614890 /nfs/dbraw/zinc/61/48/90/906614890.db2.gz VUSGLJAYLYOJLA-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001380243691 906691493 /nfs/dbraw/zinc/69/14/93/906691493.db2.gz VFZLWPLJJYJUGF-CYBMUJFWSA-N 2 2 271.405 0.362 20 0 CCADLP Nc1nc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc[nH+]1 ZINC001337836835 921297720 /nfs/dbraw/zinc/29/77/20/921297720.db2.gz JKNKAODLKNDTTA-GHMZBOCLSA-N 2 2 263.345 0.094 20 0 CCADLP CCn1cc(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)nn1 ZINC001336053851 907291671 /nfs/dbraw/zinc/29/16/71/907291671.db2.gz ABXZEUNJWDGYLF-GFCCVEGCSA-N 2 2 266.393 0.024 20 0 CCADLP CC(C)OCC[NH+]1CC([C@@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001381837677 907421372 /nfs/dbraw/zinc/42/13/72/907421372.db2.gz ZTJHVDIIFLZWOQ-CYBMUJFWSA-N 2 2 294.399 0.745 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccns1 ZINC001491624956 907459968 /nfs/dbraw/zinc/45/99/68/907459968.db2.gz PMHHSEZNAXLWSG-SECBINFHSA-N 2 2 279.369 0.703 20 0 CCADLP C[C@@H](F)CC[NH2+][C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001491625441 907462613 /nfs/dbraw/zinc/46/26/13/907462613.db2.gz SOUWPCQIGCZZHR-NXEZZACHSA-N 2 2 256.325 0.795 20 0 CCADLP CC[C@H](C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1)OC ZINC001381971667 907479024 /nfs/dbraw/zinc/47/90/24/907479024.db2.gz XLLHAQUESXWROF-YRGRVCCFSA-N 2 2 294.399 0.862 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H](C[NH2+]CCCO)C1 ZINC001491821307 907588798 /nfs/dbraw/zinc/58/87/98/907588798.db2.gz NXBAIACMOCZOJY-CYBMUJFWSA-N 2 2 294.399 0.173 20 0 CCADLP CC(C)C[NH2+]C[C@@H](O)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001382413764 907729689 /nfs/dbraw/zinc/72/96/89/907729689.db2.gz SHTWHFDXYICTKI-CYBMUJFWSA-N 2 2 296.415 0.418 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CCOC1CCC1 ZINC001317282073 908030216 /nfs/dbraw/zinc/03/02/16/908030216.db2.gz GRHUTPGZCHAGET-LBPRGKRZSA-N 2 2 294.399 0.626 20 0 CCADLP CC[C@H](C)C[N@H+](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001317473377 908376543 /nfs/dbraw/zinc/37/65/43/908376543.db2.gz SPQIYOSWGVRUKS-LBPRGKRZSA-N 2 2 252.362 0.977 20 0 CCADLP CC[C@H](C)C[N@@H+](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001317473377 908376559 /nfs/dbraw/zinc/37/65/59/908376559.db2.gz SPQIYOSWGVRUKS-LBPRGKRZSA-N 2 2 252.362 0.977 20 0 CCADLP CC[N@H+](C)CCOCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001316762571 908766850 /nfs/dbraw/zinc/76/68/50/908766850.db2.gz ADDRLJMGUDNMSC-CHWSQXEVSA-N 2 2 294.399 0.940 20 0 CCADLP CC[N@@H+](C)CCOCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001316762571 908766855 /nfs/dbraw/zinc/76/68/55/908766855.db2.gz ADDRLJMGUDNMSC-CHWSQXEVSA-N 2 2 294.399 0.940 20 0 CCADLP CC[N@H+](C)CCOCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001316762571 908766859 /nfs/dbraw/zinc/76/68/59/908766859.db2.gz ADDRLJMGUDNMSC-CHWSQXEVSA-N 2 2 294.399 0.940 20 0 CCADLP CC[N@@H+](C)CCOCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001316762571 908766865 /nfs/dbraw/zinc/76/68/65/908766865.db2.gz ADDRLJMGUDNMSC-CHWSQXEVSA-N 2 2 294.399 0.940 20 0 CCADLP CCOCC[N@@H+]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001317178425 909032536 /nfs/dbraw/zinc/03/25/36/909032536.db2.gz YBAVFFCNZFYQEC-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP CCOCC[N@H+]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001317178425 909032552 /nfs/dbraw/zinc/03/25/52/909032552.db2.gz YBAVFFCNZFYQEC-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP CN(CC[NH2+]C[C@@H]1CC(C)(C)CO1)C(=O)Cn1cc[nH+]c1 ZINC001317666329 909460788 /nfs/dbraw/zinc/46/07/88/909460788.db2.gz FZAQNUIWDBGMJN-ZDUSSCGKSA-N 2 2 294.399 0.746 20 0 CCADLP CC[C@H](C[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1)OC ZINC001388665612 909538477 /nfs/dbraw/zinc/53/84/77/909538477.db2.gz MOGORHTXNIFWIF-UONOGXRCSA-N 2 2 294.399 0.841 20 0 CCADLP CC[C@H](C[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1)OC ZINC001388665612 909538481 /nfs/dbraw/zinc/53/84/81/909538481.db2.gz MOGORHTXNIFWIF-UONOGXRCSA-N 2 2 294.399 0.841 20 0 CCADLP COCC[N@H+](C)CCNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001318210872 909666273 /nfs/dbraw/zinc/66/62/73/909666273.db2.gz UMNIXTAHBAFWPP-NSHDSACASA-N 2 2 254.334 0.139 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)[C@H](C)n1cc[nH+]c1 ZINC001318210872 909666282 /nfs/dbraw/zinc/66/62/82/909666282.db2.gz UMNIXTAHBAFWPP-NSHDSACASA-N 2 2 254.334 0.139 20 0 CCADLP C[C@@H](C(=O)NC[C@@H]1CCC[N@H+](C)C1)n1cc[nH+]c1 ZINC001318352629 909722179 /nfs/dbraw/zinc/72/21/79/909722179.db2.gz GNGGYDMBABOBIB-RYUDHWBXSA-N 2 2 250.346 0.902 20 0 CCADLP C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](C)C1)n1cc[nH+]c1 ZINC001318352629 909722189 /nfs/dbraw/zinc/72/21/89/909722189.db2.gz GNGGYDMBABOBIB-RYUDHWBXSA-N 2 2 250.346 0.902 20 0 CCADLP COCC[NH2+]C[C@@H](C)CNC(=O)c1cccc2[nH+]ccn21 ZINC001319214124 910041723 /nfs/dbraw/zinc/04/17/23/910041723.db2.gz NBYOLRUJFYTTJD-GFCCVEGCSA-N 2 2 290.367 0.936 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@@H]([NH2+]C[C@H](C)O)C1 ZINC001389883328 910131487 /nfs/dbraw/zinc/13/14/87/910131487.db2.gz KPFMMVFSPTUJFS-WRWGMCAJSA-N 2 2 280.372 0.206 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@@H]([NH2+]C[C@H](C)O)C1 ZINC001389883328 910131499 /nfs/dbraw/zinc/13/14/99/910131499.db2.gz KPFMMVFSPTUJFS-WRWGMCAJSA-N 2 2 280.372 0.206 20 0 CCADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H]1CCC[N@H+](CCCO)C1 ZINC001390194890 910269122 /nfs/dbraw/zinc/26/91/22/910269122.db2.gz OGMPGRFTPUYKCN-OLZOCXBDSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H]1CCC[N@@H+](CCCO)C1 ZINC001390194890 910269138 /nfs/dbraw/zinc/26/91/38/910269138.db2.gz OGMPGRFTPUYKCN-OLZOCXBDSA-N 2 2 294.399 0.551 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCCC[C@@H]1CC[NH2+]CCO ZINC001319781465 910295243 /nfs/dbraw/zinc/29/52/43/910295243.db2.gz RAZHILWYMDGSPV-GFCCVEGCSA-N 2 2 280.372 0.305 20 0 CCADLP CC(C)C[N@H+](C)CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001320067369 910447083 /nfs/dbraw/zinc/44/70/83/910447083.db2.gz QYRIDOOJRNZVFU-UHFFFAOYSA-N 2 2 252.362 0.998 20 0 CCADLP CC(C)C[N@@H+](C)CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001320067369 910447096 /nfs/dbraw/zinc/44/70/96/910447096.db2.gz QYRIDOOJRNZVFU-UHFFFAOYSA-N 2 2 252.362 0.998 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCC[C@@H]1C[NH2+]CCO ZINC001320135220 910476536 /nfs/dbraw/zinc/47/65/36/910476536.db2.gz UTPVZQDWBNJDNQ-YPMHNXCESA-N 2 2 280.372 0.209 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCC[C@@H]1C[NH2+]CCO ZINC001320135220 910476558 /nfs/dbraw/zinc/47/65/58/910476558.db2.gz UTPVZQDWBNJDNQ-YPMHNXCESA-N 2 2 280.372 0.209 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccccn1 ZINC001390542109 910502576 /nfs/dbraw/zinc/50/25/76/910502576.db2.gz JJJPMEWMLDFCBO-GFCCVEGCSA-N 2 2 273.340 0.573 20 0 CCADLP C[C@H](O)CCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001390773408 910668844 /nfs/dbraw/zinc/66/88/44/910668844.db2.gz NWFHEWSYRIZELJ-YNEHKIRRSA-N 2 2 294.399 0.722 20 0 CCADLP C[C@H](O)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001390773408 910668851 /nfs/dbraw/zinc/66/88/51/910668851.db2.gz NWFHEWSYRIZELJ-YNEHKIRRSA-N 2 2 294.399 0.722 20 0 CCADLP C[C@H](O)CCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001390773408 910668858 /nfs/dbraw/zinc/66/88/58/910668858.db2.gz NWFHEWSYRIZELJ-YNEHKIRRSA-N 2 2 294.399 0.722 20 0 CCADLP C[C@H](O)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001390773408 910668867 /nfs/dbraw/zinc/66/88/67/910668867.db2.gz NWFHEWSYRIZELJ-YNEHKIRRSA-N 2 2 294.399 0.722 20 0 CCADLP CC[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)CC[C@@H]1CCCO1 ZINC001390998668 910811408 /nfs/dbraw/zinc/81/14/08/910811408.db2.gz LMAPFXFGLWXKQF-ZDUSSCGKSA-N 2 2 294.399 0.959 20 0 CCADLP CC[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)CC[C@@H]1CCCO1 ZINC001390998668 910811421 /nfs/dbraw/zinc/81/14/21/910811421.db2.gz LMAPFXFGLWXKQF-ZDUSSCGKSA-N 2 2 294.399 0.959 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001391102361 910879122 /nfs/dbraw/zinc/87/91/22/910879122.db2.gz OKUVAJQTTYHAEL-NWDGAFQWSA-N 2 2 280.372 0.425 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001391102361 910879130 /nfs/dbraw/zinc/87/91/30/910879130.db2.gz OKUVAJQTTYHAEL-NWDGAFQWSA-N 2 2 280.372 0.425 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001391101484 910879273 /nfs/dbraw/zinc/87/92/73/910879273.db2.gz MCKLJKIATDRYRH-CYBMUJFWSA-N 2 2 299.378 0.986 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001391101484 910879288 /nfs/dbraw/zinc/87/92/88/910879288.db2.gz MCKLJKIATDRYRH-CYBMUJFWSA-N 2 2 299.378 0.986 20 0 CCADLP CC[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2cnon2)C1)[NH+](C)C ZINC001391108255 910884143 /nfs/dbraw/zinc/88/41/43/910884143.db2.gz VWVOFFGBPBOYSB-DGCLKSJQSA-N 2 2 295.387 0.348 20 0 CCADLP CC[C@H](C(=O)NC[C@H]1CC[N@@H+](Cc2cnon2)C1)[NH+](C)C ZINC001391108255 910884151 /nfs/dbraw/zinc/88/41/51/910884151.db2.gz VWVOFFGBPBOYSB-DGCLKSJQSA-N 2 2 295.387 0.348 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001417786416 921615732 /nfs/dbraw/zinc/61/57/32/921615732.db2.gz JTBHBNVYWQGOQN-NQBHXWOUSA-N 2 2 280.372 0.208 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001417786416 921615737 /nfs/dbraw/zinc/61/57/37/921615737.db2.gz JTBHBNVYWQGOQN-NQBHXWOUSA-N 2 2 280.372 0.208 20 0 CCADLP CC[C@@H](C(=O)N(CC)CC[NH2+]Cc1nncs1)[NH+](C)C ZINC001320846191 910901621 /nfs/dbraw/zinc/90/16/21/910901621.db2.gz VDJGXJDGYLAEBA-NSHDSACASA-N 2 2 299.444 0.816 20 0 CCADLP CCN(CC[NH2+]CCOC)C(=O)Cc1c[nH+]cn1C ZINC001320891170 910921365 /nfs/dbraw/zinc/92/13/65/910921365.db2.gz FKKSQMMMJFKDOM-UHFFFAOYSA-N 2 2 268.361 0.047 20 0 CCADLP Cn1nncc1C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001414068766 911370020 /nfs/dbraw/zinc/37/00/20/911370020.db2.gz RZSIDRQBVQNKRI-UHFFFAOYSA-N 2 2 293.415 0.628 20 0 CCADLP CC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc1csnn1)[NH+](C)C ZINC001391733983 911373001 /nfs/dbraw/zinc/37/30/01/911373001.db2.gz CWKZSJZINQIHIW-CMPLNLGQSA-N 2 2 299.444 0.863 20 0 CCADLP C[C@H](CC(=O)N[C@H]1CC[C@H]([NH2+]CCO)CC1)n1cc[nH+]c1 ZINC001391832771 911416498 /nfs/dbraw/zinc/41/64/98/911416498.db2.gz LJVIUKKDKSWCOF-MGPQQGTHSA-N 2 2 294.399 0.844 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001321710841 911453961 /nfs/dbraw/zinc/45/39/61/911453961.db2.gz UTOBQPMZIALFNX-GHMZBOCLSA-N 2 2 268.361 0.092 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1ccns1 ZINC001391972223 911492207 /nfs/dbraw/zinc/49/22/07/911492207.db2.gz ZMNUBEXHZJZJAR-LLVKDONJSA-N 2 2 293.396 0.882 20 0 CCADLP CCC[N@@H+]1CCO[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001391984155 911507084 /nfs/dbraw/zinc/50/70/84/911507084.db2.gz BTJYNNUJTZHETD-CYBMUJFWSA-N 2 2 280.372 0.419 20 0 CCADLP CCC[N@H+]1CCO[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001391984155 911507093 /nfs/dbraw/zinc/50/70/93/911507093.db2.gz BTJYNNUJTZHETD-CYBMUJFWSA-N 2 2 280.372 0.419 20 0 CCADLP CC(C)C[C@@H](C(=O)N[C@@H](C)C[NH2+]CCO)n1cc[nH+]c1 ZINC001321887375 911554781 /nfs/dbraw/zinc/55/47/81/911554781.db2.gz SZIRNMWKXBKSRO-STQMWFEESA-N 2 2 282.388 0.557 20 0 CCADLP C[C@@H](C[N@H+](C)CCCF)NC(=O)Cc1[nH]cc[nH+]1 ZINC001322268935 911737134 /nfs/dbraw/zinc/73/71/34/911737134.db2.gz GVBXDOSASWDWMD-JTQLQIEISA-N 2 2 256.325 0.748 20 0 CCADLP C[C@@H](C[N@@H+](C)CCCF)NC(=O)Cc1[nH]cc[nH+]1 ZINC001322268935 911737147 /nfs/dbraw/zinc/73/71/47/911737147.db2.gz GVBXDOSASWDWMD-JTQLQIEISA-N 2 2 256.325 0.748 20 0 CCADLP CC[NH2+]C[C@H](C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001392586088 911961181 /nfs/dbraw/zinc/96/11/81/911961181.db2.gz XAJQXCCYVCTQDH-GXTWGEPZSA-N 2 2 283.416 0.744 20 0 CCADLP CC[NH2+]C[C@H](C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001392586088 911961198 /nfs/dbraw/zinc/96/11/98/911961198.db2.gz XAJQXCCYVCTQDH-GXTWGEPZSA-N 2 2 283.416 0.744 20 0 CCADLP Cc1ncccc1C[NH2+]C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001392605424 911986696 /nfs/dbraw/zinc/98/66/96/911986696.db2.gz RNYUIJUMFBXFQM-NSHDSACASA-N 2 2 287.367 0.950 20 0 CCADLP Cc1nonc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001398950674 914972705 /nfs/dbraw/zinc/97/27/05/914972705.db2.gz JFJDHOPPBROWNI-GXFFZTMASA-N 2 2 295.387 0.457 20 0 CCADLP Cc1nonc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001398950674 914972725 /nfs/dbraw/zinc/97/27/25/914972725.db2.gz JFJDHOPPBROWNI-GXFFZTMASA-N 2 2 295.387 0.457 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001399226979 915080463 /nfs/dbraw/zinc/08/04/63/915080463.db2.gz CQRPCURRJWRBMT-NSHDSACASA-N 2 2 297.428 0.570 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001399226979 915080471 /nfs/dbraw/zinc/08/04/71/915080471.db2.gz CQRPCURRJWRBMT-NSHDSACASA-N 2 2 297.428 0.570 20 0 CCADLP Cn1nnc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)n1 ZINC001328493840 915234260 /nfs/dbraw/zinc/23/42/60/915234260.db2.gz ZETLRHDVSXCSHG-UHFFFAOYSA-N 2 2 250.350 0.176 20 0 CCADLP Cn1nnc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)n1 ZINC001328493840 915234273 /nfs/dbraw/zinc/23/42/73/915234273.db2.gz ZETLRHDVSXCSHG-UHFFFAOYSA-N 2 2 250.350 0.176 20 0 CCADLP Cc1nocc1C[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001399570031 915242713 /nfs/dbraw/zinc/24/27/13/915242713.db2.gz ZUHVDIZCJTWECP-UHFFFAOYSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1nocc1C[N@@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001399570031 915242729 /nfs/dbraw/zinc/24/27/29/915242729.db2.gz ZUHVDIZCJTWECP-UHFFFAOYSA-N 2 2 294.399 0.873 20 0 CCADLP [NH3+]C[C@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001328645802 915329066 /nfs/dbraw/zinc/32/90/66/915329066.db2.gz AEUBZDYYHAKPTM-VXGBXAGGSA-N 2 2 262.357 0.643 20 0 CCADLP CC[N@H+](CCNC(=O)c1cccc2[nH+]ccn21)C[C@@H](C)O ZINC001399730692 915346917 /nfs/dbraw/zinc/34/69/17/915346917.db2.gz NEBXWHDTGDCQEB-GFCCVEGCSA-N 2 2 290.367 0.767 20 0 CCADLP CC[N@@H+](CCNC(=O)c1cccc2[nH+]ccn21)C[C@@H](C)O ZINC001399730692 915346935 /nfs/dbraw/zinc/34/69/35/915346935.db2.gz NEBXWHDTGDCQEB-GFCCVEGCSA-N 2 2 290.367 0.767 20 0 CCADLP CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CCOC ZINC001399725400 915352424 /nfs/dbraw/zinc/35/24/24/915352424.db2.gz SFNIDMINNPXYTF-VXGBXAGGSA-N 2 2 280.372 0.598 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CCOC ZINC001399725400 915352444 /nfs/dbraw/zinc/35/24/44/915352444.db2.gz SFNIDMINNPXYTF-VXGBXAGGSA-N 2 2 280.372 0.598 20 0 CCADLP CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CCOC ZINC001399725400 915352460 /nfs/dbraw/zinc/35/24/60/915352460.db2.gz SFNIDMINNPXYTF-VXGBXAGGSA-N 2 2 280.372 0.598 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CCOC ZINC001399725400 915352477 /nfs/dbraw/zinc/35/24/77/915352477.db2.gz SFNIDMINNPXYTF-VXGBXAGGSA-N 2 2 280.372 0.598 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC001329176655 915725918 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CC[C@@H](C[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1)OC ZINC001400657261 915856880 /nfs/dbraw/zinc/85/68/80/915856880.db2.gz DPJHOUVCJHWNJQ-KGLIPLIRSA-N 2 2 294.399 0.958 20 0 CCADLP CC[C@@H](C[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1)OC ZINC001400657261 915856893 /nfs/dbraw/zinc/85/68/93/915856893.db2.gz DPJHOUVCJHWNJQ-KGLIPLIRSA-N 2 2 294.399 0.958 20 0 CCADLP CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CCO ZINC001400858480 915963746 /nfs/dbraw/zinc/96/37/46/915963746.db2.gz OAFMLOUOVGEXIK-IJLUTSLNSA-N 2 2 280.372 0.000 20 0 CCADLP CCCC[N@@H+]1CCO[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001401156346 916071386 /nfs/dbraw/zinc/07/13/86/916071386.db2.gz AQJFLIZPBYTTAS-CQSZACIVSA-N 2 2 294.399 0.809 20 0 CCADLP CCCC[N@H+]1CCO[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001401156346 916071401 /nfs/dbraw/zinc/07/14/01/916071401.db2.gz AQJFLIZPBYTTAS-CQSZACIVSA-N 2 2 294.399 0.809 20 0 CCADLP CCCC[N@@H+]1CCO[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001401156343 916073311 /nfs/dbraw/zinc/07/33/11/916073311.db2.gz AQJFLIZPBYTTAS-AWEZNQCLSA-N 2 2 294.399 0.809 20 0 CCADLP CCCC[N@H+]1CCO[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001401156343 916073322 /nfs/dbraw/zinc/07/33/22/916073322.db2.gz AQJFLIZPBYTTAS-AWEZNQCLSA-N 2 2 294.399 0.809 20 0 CCADLP Cc1nnc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001401264665 916155967 /nfs/dbraw/zinc/15/59/67/916155967.db2.gz YUALWBSZUCRQDC-CMPLNLGQSA-N 2 2 295.387 0.266 20 0 CCADLP Cc1nnc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001401264665 916155978 /nfs/dbraw/zinc/15/59/78/916155978.db2.gz YUALWBSZUCRQDC-CMPLNLGQSA-N 2 2 295.387 0.266 20 0 CCADLP COCCC[NH+]1CC([C@@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001330029334 916365984 /nfs/dbraw/zinc/36/59/84/916365984.db2.gz AKYYKWQLUPTRBL-CYBMUJFWSA-N 2 2 294.399 0.746 20 0 CCADLP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+]Cc1nc(C)no1 ZINC001401710285 916503296 /nfs/dbraw/zinc/50/32/96/916503296.db2.gz HKHWTQINOIASIC-JTQLQIEISA-N 2 2 283.376 0.314 20 0 CCADLP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+]Cc1nc(C)no1 ZINC001401710285 916503306 /nfs/dbraw/zinc/50/33/06/916503306.db2.gz HKHWTQINOIASIC-JTQLQIEISA-N 2 2 283.376 0.314 20 0 CCADLP COCCO[C@@H]1C[C@@H](CO)C[N@H+](CCc2c[nH+]cn2C)C1 ZINC001330670857 916783552 /nfs/dbraw/zinc/78/35/52/916783552.db2.gz BTHUPJTYYXNLBB-UKRRQHHQSA-N 2 2 297.399 0.308 20 0 CCADLP COCCO[C@@H]1C[C@@H](CO)C[N@@H+](CCc2c[nH+]cn2C)C1 ZINC001330670857 916783571 /nfs/dbraw/zinc/78/35/71/916783571.db2.gz BTHUPJTYYXNLBB-UKRRQHHQSA-N 2 2 297.399 0.308 20 0 CCADLP COC[C@@]1(CO)CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC001330673243 916787860 /nfs/dbraw/zinc/78/78/60/916787860.db2.gz XJZJOUNDTLDHRW-ZDUSSCGKSA-N 2 2 253.346 0.293 20 0 CCADLP COC[C@@]1(CO)CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC001330673243 916787873 /nfs/dbraw/zinc/78/78/73/916787873.db2.gz XJZJOUNDTLDHRW-ZDUSSCGKSA-N 2 2 253.346 0.293 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001402070381 916791608 /nfs/dbraw/zinc/79/16/08/916791608.db2.gz HGBMUPZYEXFDAF-CHWSQXEVSA-N 2 2 294.399 0.578 20 0 CCADLP CC(C)CC[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001402310554 916945368 /nfs/dbraw/zinc/94/53/68/916945368.db2.gz XKRAQWPSMGLSSZ-OAHLLOKOSA-N 2 2 294.399 0.482 20 0 CCADLP CC(C)CC[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001402310554 916945381 /nfs/dbraw/zinc/94/53/81/916945381.db2.gz XKRAQWPSMGLSSZ-OAHLLOKOSA-N 2 2 294.399 0.482 20 0 CCADLP O=C(NC[C@@H]([NH2+]CCO)C1CC1)c1cccc2[nH+]ccn21 ZINC001402322847 916954683 /nfs/dbraw/zinc/95/46/83/916954683.db2.gz HOGXRAKLCGTPDY-GFCCVEGCSA-N 2 2 288.351 0.425 20 0 CCADLP Cc1cc(C)c(CNC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)c[nH+]1 ZINC001331103201 917087825 /nfs/dbraw/zinc/08/78/25/917087825.db2.gz DYTFRMWFFFVZSI-DGCLKSJQSA-N 2 2 290.367 0.263 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001402701851 917181062 /nfs/dbraw/zinc/18/10/62/917181062.db2.gz ZNGQCNXVFNMHGL-VXGBXAGGSA-N 2 2 280.372 0.161 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC(O)(C[NH2+]CC2CC2)CC1 ZINC001402805998 917236022 /nfs/dbraw/zinc/23/60/22/917236022.db2.gz RYZAGGVBSXBUAA-UHFFFAOYSA-N 2 2 292.383 0.305 20 0 CCADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]C[C@@H]1CCOC1 ZINC001402913315 917341946 /nfs/dbraw/zinc/34/19/46/917341946.db2.gz RECQCUOGVGYABT-NEPJUHHUSA-N 2 2 280.372 0.473 20 0 CCADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]C[C@@H]1CCOC1 ZINC001402913315 917341972 /nfs/dbraw/zinc/34/19/72/917341972.db2.gz RECQCUOGVGYABT-NEPJUHHUSA-N 2 2 280.372 0.473 20 0 CCADLP COCC[NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001331631269 917464458 /nfs/dbraw/zinc/46/44/58/917464458.db2.gz WTPOKJQSKDKXIG-LBPRGKRZSA-N 2 2 282.388 0.436 20 0 CCADLP COCC[N@H+](C)[C@@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001403139674 917521428 /nfs/dbraw/zinc/52/14/28/917521428.db2.gz QKKXCHJIGNQILQ-LBPRGKRZSA-N 2 2 282.388 0.436 20 0 CCADLP COCC[N@@H+](C)[C@@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001403139674 917521440 /nfs/dbraw/zinc/52/14/40/917521440.db2.gz QKKXCHJIGNQILQ-LBPRGKRZSA-N 2 2 282.388 0.436 20 0 CCADLP Cc1noc([C@@H](C)[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C(C)C)n1 ZINC001403169183 917554032 /nfs/dbraw/zinc/55/40/32/917554032.db2.gz PVKJAZXOUMASPC-WDEREUQCSA-N 2 2 297.403 0.874 20 0 CCADLP Cc1noc([C@@H](C)[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)C(C)C)n1 ZINC001403169183 917554045 /nfs/dbraw/zinc/55/40/45/917554045.db2.gz PVKJAZXOUMASPC-WDEREUQCSA-N 2 2 297.403 0.874 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H](C)[N@H+](C)CCF ZINC001403201636 917577853 /nfs/dbraw/zinc/57/78/53/917577853.db2.gz LYZJCDMFGTVDDX-STQMWFEESA-N 2 2 289.395 0.361 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H](C)[N@@H+](C)CCF ZINC001403201636 917577863 /nfs/dbraw/zinc/57/78/63/917577863.db2.gz LYZJCDMFGTVDDX-STQMWFEESA-N 2 2 289.395 0.361 20 0 CCADLP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1cnns1 ZINC001403639617 917874147 /nfs/dbraw/zinc/87/41/47/917874147.db2.gz VJZYYZFSKBQRAS-SNVBAGLBSA-N 2 2 294.384 0.371 20 0 CCADLP C[C@@H]1[C@H](NC(=O)CCc2c[nH]c[nH+]2)CCC[N@@H+]1CCCO ZINC001403832660 918042716 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CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001403902219 918103345 /nfs/dbraw/zinc/10/33/45/918103345.db2.gz ALHJTYIQWIKNSK-CYBMUJFWSA-N 2 2 282.388 0.124 20 0 CCADLP C[NH+](C)[C@H]1C[C@@H](CN2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)C1 ZINC001332418821 918141987 /nfs/dbraw/zinc/14/19/87/918141987.db2.gz WSRLOQUHTNJFAG-WCQGTBRESA-N 2 2 291.355 0.213 20 0 CCADLP C[NH+](C)[C@H]1C[C@@H](CN2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)C1 ZINC001332418821 918141996 /nfs/dbraw/zinc/14/19/96/918141996.db2.gz WSRLOQUHTNJFAG-WCQGTBRESA-N 2 2 291.355 0.213 20 0 CCADLP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC[NH+](CCO)CC1 ZINC001403993311 918164197 /nfs/dbraw/zinc/16/41/97/918164197.db2.gz DONUIWJDCVJSIG-NSHDSACASA-N 2 2 280.372 0.161 20 0 CCADLP C[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001404710266 918434526 /nfs/dbraw/zinc/43/45/26/918434526.db2.gz YNPOAVRWUQLRIM-OLZOCXBDSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH+]2CC(NC(=O)C3(C[NH+](C)C)CC3)C2)O1 ZINC001404803906 918471438 /nfs/dbraw/zinc/47/14/38/918471438.db2.gz FMCXRRAJVSUOSK-OCCSQVGLSA-N 2 2 295.427 0.696 20 0 CCADLP CC(C)OCC[NH+]1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001404819955 918483337 /nfs/dbraw/zinc/48/33/37/918483337.db2.gz HBNURPUZOICCBR-ZDUSSCGKSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)OCC[NH+]1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001404819955 918483352 /nfs/dbraw/zinc/48/33/52/918483352.db2.gz HBNURPUZOICCBR-ZDUSSCGKSA-N 2 2 283.416 0.554 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001405122088 918615473 /nfs/dbraw/zinc/61/54/73/918615473.db2.gz LMGZBWILJJXZCE-GXTWGEPZSA-N 2 2 294.399 0.910 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001405122088 918615477 /nfs/dbraw/zinc/61/54/77/918615477.db2.gz LMGZBWILJJXZCE-GXTWGEPZSA-N 2 2 294.399 0.910 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001405122088 918615492 /nfs/dbraw/zinc/61/54/92/918615492.db2.gz LMGZBWILJJXZCE-GXTWGEPZSA-N 2 2 294.399 0.910 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001405122088 918615508 /nfs/dbraw/zinc/61/55/08/918615508.db2.gz LMGZBWILJJXZCE-GXTWGEPZSA-N 2 2 294.399 0.910 20 0 CCADLP CC[C@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CCO ZINC001405260242 918695756 /nfs/dbraw/zinc/69/57/56/918695756.db2.gz DCVUZZYKCPKJFZ-LLVKDONJSA-N 2 2 276.340 0.425 20 0 CCADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cc(C)no1 ZINC001405375289 918747052 /nfs/dbraw/zinc/74/70/52/918747052.db2.gz VPXXLJDHYXKKHW-LBPRGKRZSA-N 2 2 291.355 0.864 20 0 CCADLP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1nnc(C)o1)[NH+](C)C ZINC001405823388 918929180 /nfs/dbraw/zinc/92/91/80/918929180.db2.gz AGNWXSUULBGMEX-CMPLNLGQSA-N 2 2 297.403 0.655 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCCCN2CC[NH+](C)CC2)c2ncnn21 ZINC001333555799 918993456 /nfs/dbraw/zinc/99/34/56/918993456.db2.gz RFJUGZUYQDGMEZ-KBPBESRZSA-N 2 2 292.431 0.901 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)[C@H](C)C(N)=O ZINC001406099571 919047876 /nfs/dbraw/zinc/04/78/76/919047876.db2.gz DHDNPZJFBSFMIS-CHWSQXEVSA-N 2 2 298.431 0.125 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)[C@H](C)C(N)=O ZINC001406099571 919047894 /nfs/dbraw/zinc/04/78/94/919047894.db2.gz DHDNPZJFBSFMIS-CHWSQXEVSA-N 2 2 298.431 0.125 20 0 CCADLP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@H+](C)[C@H](C)C(N)=O ZINC001406099571 919047908 /nfs/dbraw/zinc/04/79/08/919047908.db2.gz DHDNPZJFBSFMIS-CHWSQXEVSA-N 2 2 298.431 0.125 20 0 CCADLP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@@H+](C)[C@H](C)C(N)=O ZINC001406099571 919047918 /nfs/dbraw/zinc/04/79/18/919047918.db2.gz DHDNPZJFBSFMIS-CHWSQXEVSA-N 2 2 298.431 0.125 20 0 CCADLP C[C@H](O)CCC[N@H+](C)CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001406142315 919076329 /nfs/dbraw/zinc/07/63/29/919076329.db2.gz TVEYYTCKEQLOLO-LBPRGKRZSA-N 2 2 282.388 0.503 20 0 CCADLP C[C@H](O)CCC[N@@H+](C)CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001406142315 919076343 /nfs/dbraw/zinc/07/63/43/919076343.db2.gz TVEYYTCKEQLOLO-LBPRGKRZSA-N 2 2 282.388 0.503 20 0 CCADLP CN(CC[N@H+](C)CC[C@@H]1CCCO1)C(=O)Cc1c[nH+]c[nH]1 ZINC001406143984 919078025 /nfs/dbraw/zinc/07/80/25/919078025.db2.gz XHUZJEAEOSTLSX-AWEZNQCLSA-N 2 2 294.399 0.912 20 0 CCADLP CN(CC[N@@H+](C)CC[C@@H]1CCCO1)C(=O)Cc1c[nH+]c[nH]1 ZINC001406143984 919078043 /nfs/dbraw/zinc/07/80/43/919078043.db2.gz XHUZJEAEOSTLSX-AWEZNQCLSA-N 2 2 294.399 0.912 20 0 CCADLP C[C@H]1CN(C(=O)NCc2c[nH+]cn2C)[C@@H](C)C[NH2+]1 ZINC001334226723 919438284 /nfs/dbraw/zinc/43/82/84/919438284.db2.gz FESKJSPZXNFJJR-UWVGGRQHSA-N 2 2 251.334 0.312 20 0 CCADLP OCCCOCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001334406488 919556517 /nfs/dbraw/zinc/55/65/17/919556517.db2.gz QWIPBLUFDNVTRC-KBPBESRZSA-N 2 2 256.390 0.992 20 0 CCADLP OCCCOCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001334406488 919556527 /nfs/dbraw/zinc/55/65/27/919556527.db2.gz QWIPBLUFDNVTRC-KBPBESRZSA-N 2 2 256.390 0.992 20 0 CCADLP Cn1c[nH+]cc1CCCN1CCN(C)CC[N@H+](C)CC1 ZINC001334656662 919695755 /nfs/dbraw/zinc/69/57/55/919695755.db2.gz DYGWQGAHXKDJCD-UHFFFAOYSA-N 2 2 279.432 0.532 20 0 CCADLP Cn1c[nH+]cc1CCCN1CCN(C)CC[N@@H+](C)CC1 ZINC001334656662 919695771 /nfs/dbraw/zinc/69/57/71/919695771.db2.gz DYGWQGAHXKDJCD-UHFFFAOYSA-N 2 2 279.432 0.532 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001407860292 919921378 /nfs/dbraw/zinc/92/13/78/919921378.db2.gz YUTFSXHRFHIZRA-ZIAGYGMSSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001407860292 919921395 /nfs/dbraw/zinc/92/13/95/919921395.db2.gz YUTFSXHRFHIZRA-ZIAGYGMSSA-N 2 2 294.399 0.625 20 0 CCADLP COC[C@H](C)[N@H+](C)CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001407925205 919959445 /nfs/dbraw/zinc/95/94/45/919959445.db2.gz ARBRCPCPRIFUMO-LBPRGKRZSA-N 2 2 282.388 0.767 20 0 CCADLP COC[C@H](C)[N@@H+](C)CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001407925205 919959453 /nfs/dbraw/zinc/95/94/53/919959453.db2.gz ARBRCPCPRIFUMO-LBPRGKRZSA-N 2 2 282.388 0.767 20 0 CCADLP O[C@H](C[NH2+]CCCCn1cc[nH+]c1)C1(O)CCOCC1 ZINC001335302644 920107293 /nfs/dbraw/zinc/10/72/93/920107293.db2.gz BZIDDNDEJSAQQE-CYBMUJFWSA-N 2 2 283.372 0.155 20 0 CCADLP CC(C)COC[C@@H](O)C[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC001335397842 920170656 /nfs/dbraw/zinc/17/06/56/920170656.db2.gz QPEKHVKTHJXESZ-KGLIPLIRSA-N 2 2 258.406 0.951 20 0 CCADLP CC(C)COC[C@@H](O)C[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC001335397842 920170664 /nfs/dbraw/zinc/17/06/64/920170664.db2.gz QPEKHVKTHJXESZ-KGLIPLIRSA-N 2 2 258.406 0.951 20 0 CCADLP CC(C)COC[C@H](O)C[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC001335397843 920171107 /nfs/dbraw/zinc/17/11/07/920171107.db2.gz QPEKHVKTHJXESZ-UONOGXRCSA-N 2 2 258.406 0.951 20 0 CCADLP CC(C)COC[C@H](O)C[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC001335397843 920171111 /nfs/dbraw/zinc/17/11/11/920171111.db2.gz QPEKHVKTHJXESZ-UONOGXRCSA-N 2 2 258.406 0.951 20 0 CCADLP C[C@H]([NH2+]CCC[NH+]1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001336751391 920979331 /nfs/dbraw/zinc/97/93/31/920979331.db2.gz PUSRKQDCEVBENV-QWHCGFSZSA-N 2 2 274.430 0.885 20 0 CCADLP COCCOC[C@H](O)C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001336801698 921019641 /nfs/dbraw/zinc/01/96/41/921019641.db2.gz OTOCDXCBIKQKHH-KFWWJZLASA-N 2 2 286.416 0.617 20 0 CCADLP COCCOC[C@H](O)C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001336801698 921019651 /nfs/dbraw/zinc/01/96/51/921019651.db2.gz OTOCDXCBIKQKHH-KFWWJZLASA-N 2 2 286.416 0.617 20 0 CCADLP C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]CC(=O)N(C)C ZINC001418285301 921993864 /nfs/dbraw/zinc/99/38/64/921993864.db2.gz SVLJSRBCCVJNBU-RYUDHWBXSA-N 2 2 295.387 0.017 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(O)cn1 ZINC001418404637 922084923 /nfs/dbraw/zinc/08/49/23/922084923.db2.gz GTOKNZZDOCMGCU-UHFFFAOYSA-N 2 2 280.372 0.401 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(O)cn1 ZINC001418404637 922084942 /nfs/dbraw/zinc/08/49/42/922084942.db2.gz GTOKNZZDOCMGCU-UHFFFAOYSA-N 2 2 280.372 0.401 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)c1cnc(C[NH3+])s1 ZINC001341661644 922611388 /nfs/dbraw/zinc/61/13/88/922611388.db2.gz FHVHNPGZEYDNFH-UHFFFAOYSA-N 2 2 279.369 0.927 20 0 CCADLP CC[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]C[C@H]1CCOC1 ZINC001419263048 922739917 /nfs/dbraw/zinc/73/99/17/922739917.db2.gz NUXVVGKITNAZBP-OLZOCXBDSA-N 2 2 294.399 0.484 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[NH2+]1 ZINC001342319612 922909284 /nfs/dbraw/zinc/90/92/84/922909284.db2.gz BMOZVDYWURZEKD-DDHJBXDOSA-N 2 2 262.357 0.780 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001419569699 922924697 /nfs/dbraw/zinc/92/46/97/922924697.db2.gz REYXPEQXIUGAED-STQMWFEESA-N 2 2 280.372 0.092 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H](C)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001419684192 922989300 /nfs/dbraw/zinc/98/93/00/922989300.db2.gz BXAMMGYIWYBDTP-NWDGAFQWSA-N 2 2 290.367 0.765 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH+]cn1C ZINC001419737456 923054896 /nfs/dbraw/zinc/05/48/96/923054896.db2.gz GKILIZDBLDPFHR-RYUDHWBXSA-N 2 2 282.388 0.170 20 0 CCADLP Cc1cc(N)nc(N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)[nH+]1 ZINC001342945961 923143780 /nfs/dbraw/zinc/14/37/80/923143780.db2.gz BISPPXLYCJWKJW-ZJUUUORDSA-N 2 2 251.334 0.498 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]C[C@@H]1CCCCO1 ZINC001419956925 923193144 /nfs/dbraw/zinc/19/31/44/923193144.db2.gz OKPLZEIWTXAHPY-OLZOCXBDSA-N 2 2 280.372 0.547 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)CCN(C)C(=O)CCc1[nH+]ccn1C ZINC001419985586 923215810 /nfs/dbraw/zinc/21/58/10/923215810.db2.gz PSPKWJGOTZJROZ-ZDUSSCGKSA-N 2 2 296.415 0.778 20 0 CCADLP C[C@@H](C[NH2+]C[C@@H]1CCOC1)NC(=O)CCCn1cc[nH+]c1 ZINC001420520398 923738579 /nfs/dbraw/zinc/73/85/79/923738579.db2.gz IFJNIEZJNAVDIF-KBPBESRZSA-N 2 2 294.399 0.794 20 0 CCADLP Cc1ccc(NCCNC(=O)[C@@H]2CSC[NH2+]2)[nH+]c1 ZINC001345131082 923801101 /nfs/dbraw/zinc/80/11/01/923801101.db2.gz YUVKUCWMVKMSJM-JTQLQIEISA-N 2 2 266.370 0.581 20 0 CCADLP O=C(CC[NH+]1CCOCC1)NCC[N@@H+](CCF)C1CC1 ZINC001420685249 923874453 /nfs/dbraw/zinc/87/44/53/923874453.db2.gz FBOGJFQTRYGHCC-UHFFFAOYSA-N 2 2 287.379 0.259 20 0 CCADLP O=C(CC[NH+]1CCOCC1)NCC[N@H+](CCF)C1CC1 ZINC001420685249 923874463 /nfs/dbraw/zinc/87/44/63/923874463.db2.gz FBOGJFQTRYGHCC-UHFFFAOYSA-N 2 2 287.379 0.259 20 0 CCADLP CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)C1 ZINC001420806970 923948635 /nfs/dbraw/zinc/94/86/35/923948635.db2.gz JMXBEABVQTZUPC-KBPBESRZSA-N 2 2 282.432 0.175 20 0 CCADLP CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)C1 ZINC001420806970 923948644 /nfs/dbraw/zinc/94/86/44/923948644.db2.gz JMXBEABVQTZUPC-KBPBESRZSA-N 2 2 282.432 0.175 20 0 CCADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001420813265 923952351 /nfs/dbraw/zinc/95/23/51/923952351.db2.gz BMNLZTJHRZHWCK-JSGCOSHPSA-N 2 2 294.399 0.646 20 0 CCADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001420813265 923952366 /nfs/dbraw/zinc/95/23/66/923952366.db2.gz BMNLZTJHRZHWCK-JSGCOSHPSA-N 2 2 294.399 0.646 20 0 CCADLP CC1(C)CN(C(=O)NCCn2cc[nH+]c2)C[C@H]1[NH3+] ZINC001346152134 924088881 /nfs/dbraw/zinc/08/88/81/924088881.db2.gz ZQKCOXLGCJSQIA-SNVBAGLBSA-N 2 2 251.334 0.262 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001421143551 924175886 /nfs/dbraw/zinc/17/58/86/924175886.db2.gz YBUWFNOCFAQDJA-STQMWFEESA-N 2 2 294.399 0.578 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001421143547 924176895 /nfs/dbraw/zinc/17/68/95/924176895.db2.gz YBUWFNOCFAQDJA-OLZOCXBDSA-N 2 2 294.399 0.578 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1c[nH]c(C(=O)OC)c1 ZINC001414097316 924230155 /nfs/dbraw/zinc/23/01/55/924230155.db2.gz UTNAQVLOTUEPHD-CYBMUJFWSA-N 2 2 297.399 0.984 20 0 CCADLP C[C@H](C[NH3+])C(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001346526734 924251700 /nfs/dbraw/zinc/25/17/00/924251700.db2.gz NWIMRVHAUCTOQL-SNVBAGLBSA-N 2 2 250.346 0.721 20 0 CCADLP C[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)n1cc[nH+]c1 ZINC001347722882 924519470 /nfs/dbraw/zinc/51/94/70/924519470.db2.gz CKAAGFVZDRJNPJ-GXTWGEPZSA-N 2 2 262.357 0.998 20 0 CCADLP C[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)n1cc[nH+]c1 ZINC001347722882 924519475 /nfs/dbraw/zinc/51/94/75/924519475.db2.gz CKAAGFVZDRJNPJ-GXTWGEPZSA-N 2 2 262.357 0.998 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001348079993 924590930 /nfs/dbraw/zinc/59/09/30/924590930.db2.gz KLIOAAVQGYNYPD-GFCCVEGCSA-N 2 2 264.373 0.763 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001348852634 924826478 /nfs/dbraw/zinc/82/64/78/924826478.db2.gz JIQLQJWIXKJDFU-TXEJJXNPSA-N 2 2 264.373 0.809 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1CC(=O)N(C)CCCn1cc[nH+]c1 ZINC001353785947 925931382 /nfs/dbraw/zinc/93/13/82/925931382.db2.gz SRAJKVUTFFSGGW-CHWSQXEVSA-N 2 2 264.373 0.977 20 0 CCADLP CCCC[N@@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001421396005 926726947 /nfs/dbraw/zinc/72/69/47/926726947.db2.gz LOCSAVNGJFSCOT-OAHLLOKOSA-N 2 2 294.399 0.614 20 0 CCADLP CCCC[N@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001421396005 926726960 /nfs/dbraw/zinc/72/69/60/926726960.db2.gz LOCSAVNGJFSCOT-OAHLLOKOSA-N 2 2 294.399 0.614 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)CC12CC(C)(C1)OC2 ZINC001414017152 926846576 /nfs/dbraw/zinc/84/65/76/926846576.db2.gz KBQIGLPMRYYNGY-UHFFFAOYSA-N 2 2 281.400 0.261 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)CC12CC(C)(C1)OC2 ZINC001414017152 926846588 /nfs/dbraw/zinc/84/65/88/926846588.db2.gz KBQIGLPMRYYNGY-UHFFFAOYSA-N 2 2 281.400 0.261 20 0 CCADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+]C[C@H]1CCOC1 ZINC001421730141 926880337 /nfs/dbraw/zinc/88/03/37/926880337.db2.gz QCCLBXGEFWTGKQ-ZIAGYGMSSA-N 2 2 294.399 0.652 20 0 CCADLP C[C@@H](C[NH2+]Cc1cccnc1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001421952099 927010328 /nfs/dbraw/zinc/01/03/28/927010328.db2.gz BQHHQNMSCSMZNT-LBPRGKRZSA-N 2 2 287.367 0.984 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH+]cn1C ZINC001421980860 927021679 /nfs/dbraw/zinc/02/16/79/927021679.db2.gz BQMHSGCYNYVVER-QWHCGFSZSA-N 2 2 296.415 0.824 20 0 CCADLP C[C@@H]([NH2+]Cc1nccn1C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001422443328 927284021 /nfs/dbraw/zinc/28/40/21/927284021.db2.gz XRBJVPRWXUXJNJ-NEPJUHHUSA-N 2 2 290.371 0.300 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001361983075 927495206 /nfs/dbraw/zinc/49/52/06/927495206.db2.gz RGRGAMLZPDSFBZ-KBPBESRZSA-N 2 2 292.383 0.020 20 0 CCADLP C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001422890273 927573131 /nfs/dbraw/zinc/57/31/31/927573131.db2.gz JPFVCMZORSOKKZ-STQMWFEESA-N 2 2 298.431 0.173 20 0 CCADLP C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001422890273 927573136 /nfs/dbraw/zinc/57/31/36/927573136.db2.gz JPFVCMZORSOKKZ-STQMWFEESA-N 2 2 298.431 0.173 20 0 CCADLP Cc1nc(C)c(C[N@H+]2CC[C@H]2CNC(=O)CC[NH+](C)C)o1 ZINC001423107728 927678837 /nfs/dbraw/zinc/67/88/37/927678837.db2.gz FTBBKTFKEFTXTA-ZDUSSCGKSA-N 2 2 294.399 0.934 20 0 CCADLP Cc1nc(C)c(C[N@@H+]2CC[C@H]2CNC(=O)CC[NH+](C)C)o1 ZINC001423107728 927678842 /nfs/dbraw/zinc/67/88/42/927678842.db2.gz FTBBKTFKEFTXTA-ZDUSSCGKSA-N 2 2 294.399 0.934 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001423482994 927886364 /nfs/dbraw/zinc/88/63/64/927886364.db2.gz LCTLHBQAWVWQKP-WCQYABFASA-N 2 2 280.372 0.568 20 0 CCADLP COC[C@@H](C)[NH+]1CCC(C)(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001423513104 927904579 /nfs/dbraw/zinc/90/45/79/927904579.db2.gz CHFHIRACTGDECI-GFCCVEGCSA-N 2 2 294.399 0.958 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC001362384778 927950910 /nfs/dbraw/zinc/95/09/10/927950910.db2.gz CBYBQOUWFYEQDS-UHFFFAOYSA-N 2 2 293.415 0.105 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2cnon2)CCC1 ZINC001424192138 928121112 /nfs/dbraw/zinc/12/11/12/928121112.db2.gz HQNZRDJVSXFXGA-GFCCVEGCSA-N 2 2 293.371 0.292 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2cnon2)CCC1 ZINC001424192138 928121118 /nfs/dbraw/zinc/12/11/18/928121118.db2.gz HQNZRDJVSXFXGA-GFCCVEGCSA-N 2 2 293.371 0.292 20 0 CCADLP CC[NH2+][C@@]1(CO)CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001424409915 928178135 /nfs/dbraw/zinc/17/81/35/928178135.db2.gz RHGWSWLDXVCBNT-HNNXBMFYSA-N 2 2 294.399 0.626 20 0 CCADLP C[NH+](C)Cc1ccc(C(=O)NCC[NH+]2CCC(O)CC2)o1 ZINC001362576236 928198963 /nfs/dbraw/zinc/19/89/63/928198963.db2.gz VWLDCLUBMVAHGA-UHFFFAOYSA-N 2 2 295.383 0.528 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH+](C)CCF)C1 ZINC001425073635 928425663 /nfs/dbraw/zinc/42/56/63/928425663.db2.gz SFWPCNNUDMTHIQ-VXGBXAGGSA-N 2 2 275.368 0.113 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH+](C)CCF)C1 ZINC001425073635 928425666 /nfs/dbraw/zinc/42/56/66/928425666.db2.gz SFWPCNNUDMTHIQ-VXGBXAGGSA-N 2 2 275.368 0.113 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CCF)C1 ZINC001425073635 928425674 /nfs/dbraw/zinc/42/56/74/928425674.db2.gz SFWPCNNUDMTHIQ-VXGBXAGGSA-N 2 2 275.368 0.113 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CCF)C1 ZINC001425073635 928425681 /nfs/dbraw/zinc/42/56/81/928425681.db2.gz SFWPCNNUDMTHIQ-VXGBXAGGSA-N 2 2 275.368 0.113 20 0 CCADLP C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C1C[NH+](CCCO)C1 ZINC001425239475 928476109 /nfs/dbraw/zinc/47/61/09/928476109.db2.gz VGHUPRRKMFFHOH-QWHCGFSZSA-N 2 2 294.399 0.653 20 0 CCADLP CC1(C)C[N@H+](CCCO)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001425295969 928499013 /nfs/dbraw/zinc/49/90/13/928499013.db2.gz YBSYONWONKJSHO-CYBMUJFWSA-N 2 2 294.399 0.551 20 0 CCADLP CC1(C)C[N@@H+](CCCO)C[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001425295969 928499023 /nfs/dbraw/zinc/49/90/23/928499023.db2.gz YBSYONWONKJSHO-CYBMUJFWSA-N 2 2 294.399 0.551 20 0 CCADLP CC1(C)C[N@H+](CCCO)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001425295969 928499027 /nfs/dbraw/zinc/49/90/27/928499027.db2.gz YBSYONWONKJSHO-CYBMUJFWSA-N 2 2 294.399 0.551 20 0 CCADLP CC1(C)C[N@@H+](CCCO)C[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001425295969 928499034 /nfs/dbraw/zinc/49/90/34/928499034.db2.gz YBSYONWONKJSHO-CYBMUJFWSA-N 2 2 294.399 0.551 20 0 CCADLP CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001425374911 928529451 /nfs/dbraw/zinc/52/94/51/928529451.db2.gz JUBUSMIBMWAIRF-XYYAHUGASA-N 2 2 276.384 0.965 20 0 CCADLP CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001425374911 928529458 /nfs/dbraw/zinc/52/94/58/928529458.db2.gz JUBUSMIBMWAIRF-XYYAHUGASA-N 2 2 276.384 0.965 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCc1c[nH+]c2n1CCC2 ZINC001362892864 928621808 /nfs/dbraw/zinc/62/18/08/928621808.db2.gz HSNFADKGTTVBRU-GFCCVEGCSA-N 2 2 292.383 0.414 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)[C@@H](C)C[N@@H+]1CCO ZINC001362906011 928637898 /nfs/dbraw/zinc/63/78/98/928637898.db2.gz RHOSVALPSFTFFS-OLZOCXBDSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)[C@@H](C)C[N@H+]1CCO ZINC001362906011 928637904 /nfs/dbraw/zinc/63/79/04/928637904.db2.gz RHOSVALPSFTFFS-OLZOCXBDSA-N 2 2 294.399 0.266 20 0 CCADLP CN1CC[NH+](C2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)CC1 ZINC001363567305 929370763 /nfs/dbraw/zinc/37/07/63/929370763.db2.gz ALABQQXLAKNNAA-UHFFFAOYSA-N 2 2 291.399 0.191 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001443516369 929634551 /nfs/dbraw/zinc/63/45/51/929634551.db2.gz CDBRZEIXUJPUIX-NSHDSACASA-N 2 2 280.372 0.153 20 0 CCADLP CC[C@@H](C(=O)NC1C[NH+](C[C@H](C)OC)C1)[NH+](CC)CC ZINC001443524517 929636851 /nfs/dbraw/zinc/63/68/51/929636851.db2.gz IRYMXXFKEAHRRI-JSGCOSHPSA-N 2 2 285.432 0.942 20 0 CCADLP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C/C=C/Cl ZINC001443677164 929672300 /nfs/dbraw/zinc/67/23/00/929672300.db2.gz FUUSYIUGMXMWIF-SCBUBVSKSA-N 2 2 271.792 0.976 20 0 CCADLP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C/C=C/Cl ZINC001443677164 929672310 /nfs/dbraw/zinc/67/23/10/929672310.db2.gz FUUSYIUGMXMWIF-SCBUBVSKSA-N 2 2 271.792 0.976 20 0 CCADLP CC[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]CCF ZINC001443948748 929748798 /nfs/dbraw/zinc/74/87/98/929748798.db2.gz FKEPPLFGEMYODD-VXGBXAGGSA-N 2 2 282.363 0.899 20 0 CCADLP CC[C@H](C(=O)NCC[N@H+](C)Cc1cnc(C)nc1)[NH+](C)C ZINC001372193687 929761637 /nfs/dbraw/zinc/76/16/37/929761637.db2.gz YOIYFBCXJLWUKO-CQSZACIVSA-N 2 2 293.415 0.673 20 0 CCADLP CC[C@H](C(=O)NCC[N@@H+](C)Cc1cnc(C)nc1)[NH+](C)C ZINC001372193687 929761647 /nfs/dbraw/zinc/76/16/47/929761647.db2.gz YOIYFBCXJLWUKO-CQSZACIVSA-N 2 2 293.415 0.673 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]Cc1cnn(C)c1 ZINC001444386276 929858832 /nfs/dbraw/zinc/85/88/32/929858832.db2.gz HAXDQFLJWRVADW-NSHDSACASA-N 2 2 290.371 0.228 20 0 CCADLP CO[C@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001372520803 929868132 /nfs/dbraw/zinc/86/81/32/929868132.db2.gz HDYKIEDBVZVKMW-TZMCWYRMSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@H](C)C[N@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001372520803 929868142 /nfs/dbraw/zinc/86/81/42/929868142.db2.gz HDYKIEDBVZVKMW-TZMCWYRMSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001372520803 929868152 /nfs/dbraw/zinc/86/81/52/929868152.db2.gz HDYKIEDBVZVKMW-TZMCWYRMSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@H](C)C[N@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001372520803 929868156 /nfs/dbraw/zinc/86/81/56/929868156.db2.gz HDYKIEDBVZVKMW-TZMCWYRMSA-N 2 2 294.399 0.958 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001372667866 929911983 /nfs/dbraw/zinc/91/19/83/929911983.db2.gz SRBSEYODAQYUGB-NWDGAFQWSA-N 2 2 280.372 0.425 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001372667866 929911997 /nfs/dbraw/zinc/91/19/97/929911997.db2.gz SRBSEYODAQYUGB-NWDGAFQWSA-N 2 2 280.372 0.425 20 0 CCADLP CCC[N@H+](CCF)CCNC(=O)Cn1c[nH+]cc1C ZINC001372716496 929922594 /nfs/dbraw/zinc/92/25/94/929922594.db2.gz UMMHTHVLFAGNQE-UHFFFAOYSA-N 2 2 270.352 0.989 20 0 CCADLP CCC[N@@H+](CCF)CCNC(=O)Cn1c[nH+]cc1C ZINC001372716496 929922600 /nfs/dbraw/zinc/92/26/00/929922600.db2.gz UMMHTHVLFAGNQE-UHFFFAOYSA-N 2 2 270.352 0.989 20 0 CCADLP COCC[N@@H+]1CC[C@@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001373241591 930112998 /nfs/dbraw/zinc/11/29/98/930112998.db2.gz QPACMWZWZZEQHB-GFCCVEGCSA-N 2 2 280.372 0.427 20 0 CCADLP COCC[N@H+]1CC[C@@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001373241591 930113002 /nfs/dbraw/zinc/11/30/02/930113002.db2.gz QPACMWZWZZEQHB-GFCCVEGCSA-N 2 2 280.372 0.427 20 0 CCADLP COC[C@@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001373299209 930132461 /nfs/dbraw/zinc/13/24/61/930132461.db2.gz DRCRROAQVGEIRU-OLZOCXBDSA-N 2 2 294.399 0.767 20 0 CCADLP COC[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001373299209 930132466 /nfs/dbraw/zinc/13/24/66/930132466.db2.gz DRCRROAQVGEIRU-OLZOCXBDSA-N 2 2 294.399 0.767 20 0 CCADLP C[C@@H](C[NH2+]C[C@@H]1CCCOC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001445556845 930169102 /nfs/dbraw/zinc/16/91/02/930169102.db2.gz PTEKHUZCQYIYOZ-STQMWFEESA-N 2 2 294.399 0.863 20 0 CCADLP C[C@@H](C[NH2+]C[C@@H]1CCCOC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001445556845 930169105 /nfs/dbraw/zinc/16/91/05/930169105.db2.gz PTEKHUZCQYIYOZ-STQMWFEESA-N 2 2 294.399 0.863 20 0 CCADLP C[C@@H](C[NH2+]Cc1csnn1)NC(=O)C1([NH+](C)C)CCC1 ZINC001445557497 930170542 /nfs/dbraw/zinc/17/05/42/930170542.db2.gz JLQVJAFESPFKHL-JTQLQIEISA-N 2 2 297.428 0.617 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](CCC[C@@H](C)O)C1 ZINC001373433824 930190943 /nfs/dbraw/zinc/19/09/43/930190943.db2.gz XVPBPYWQKFZNIG-HIFRSBDPSA-N 2 2 297.443 0.822 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](CCC[C@@H](C)O)C1 ZINC001373433824 930190950 /nfs/dbraw/zinc/19/09/50/930190950.db2.gz XVPBPYWQKFZNIG-HIFRSBDPSA-N 2 2 297.443 0.822 20 0 CCADLP C[C@@H]([NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1)c1cnccn1 ZINC001445667579 930203151 /nfs/dbraw/zinc/20/31/51/930203151.db2.gz PFLPHNQNSZYRLA-NWDGAFQWSA-N 2 2 288.355 0.529 20 0 CCADLP CC(C)[C@H](C(=O)NC1C[NH+](C[C@H](C)O)C1)[NH+]1CCCC1 ZINC001373490310 930214758 /nfs/dbraw/zinc/21/47/58/930214758.db2.gz QZNXNRQDVHPBOX-GXTWGEPZSA-N 2 2 283.416 0.288 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCC2C[NH+](C[C@H](C)O)C2)c[nH+]1 ZINC001373513564 930228461 /nfs/dbraw/zinc/22/84/61/930228461.db2.gz CYGIASIHSIGIDG-LBPRGKRZSA-N 2 2 294.399 0.355 20 0 CCADLP C[C@H](O)C[N@H+](C)C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001445845034 930268034 /nfs/dbraw/zinc/26/80/34/930268034.db2.gz OKQBMZCNXTYKGY-RYUDHWBXSA-N 2 2 282.388 0.170 20 0 CCADLP C[C@H](O)C[N@@H+](C)C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001445845034 930268043 /nfs/dbraw/zinc/26/80/43/930268043.db2.gz OKQBMZCNXTYKGY-RYUDHWBXSA-N 2 2 282.388 0.170 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001373673234 930295082 /nfs/dbraw/zinc/29/50/82/930295082.db2.gz ORSBYDXRPGWLIF-DGCLKSJQSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001373673234 930295088 /nfs/dbraw/zinc/29/50/88/930295088.db2.gz ORSBYDXRPGWLIF-DGCLKSJQSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001373673234 930295094 /nfs/dbraw/zinc/29/50/94/930295094.db2.gz ORSBYDXRPGWLIF-DGCLKSJQSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001373673234 930295099 /nfs/dbraw/zinc/29/50/99/930295099.db2.gz ORSBYDXRPGWLIF-DGCLKSJQSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001374091018 930420844 /nfs/dbraw/zinc/42/08/44/930420844.db2.gz XFZLYDIUGPQTSL-MNOVXSKESA-N 2 2 290.367 0.899 20 0 CCADLP CC[NH2+]C1(CNC(=O)CCc2c[nH]c[nH+]2)CCOCC1 ZINC001446708071 930464077 /nfs/dbraw/zinc/46/40/77/930464077.db2.gz CLEZITSXQDJLMT-UHFFFAOYSA-N 2 2 280.372 0.617 20 0 CCADLP CC[NH2+]C1(CNC(=O)CCc2c[nH+]c[nH]2)CCOCC1 ZINC001446708071 930464084 /nfs/dbraw/zinc/46/40/84/930464084.db2.gz CLEZITSXQDJLMT-UHFFFAOYSA-N 2 2 280.372 0.617 20 0 CCADLP COC[C@@H](C)[N@H+](C)CCN(C)C(=O)CCc1[nH+]ccn1C ZINC001374514809 930540269 /nfs/dbraw/zinc/54/02/69/930540269.db2.gz LDKKTUHAFJWIEV-CYBMUJFWSA-N 2 2 296.415 0.778 20 0 CCADLP COC[C@@H](C)[N@@H+](C)CCN(C)C(=O)CCc1[nH+]ccn1C ZINC001374514809 930540275 /nfs/dbraw/zinc/54/02/75/930540275.db2.gz LDKKTUHAFJWIEV-CYBMUJFWSA-N 2 2 296.415 0.778 20 0 CCADLP Cc1nnc(C[NH2+]C[C@H](C)NC(=O)CCC[NH+](C)C)o1 ZINC001374926406 930727195 /nfs/dbraw/zinc/72/71/95/930727195.db2.gz ORAXIXZPYWAZJT-JTQLQIEISA-N 2 2 283.376 0.314 20 0 CCADLP Cc1nnc(C[NH2+]C[C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)o1 ZINC001374934298 930729534 /nfs/dbraw/zinc/72/95/34/930729534.db2.gz YRCAIPPNPOEPNH-MNOVXSKESA-N 2 2 295.387 0.314 20 0 CCADLP Cc1nnc(C[NH2+]C[C@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)o1 ZINC001374934298 930729537 /nfs/dbraw/zinc/72/95/37/930729537.db2.gz YRCAIPPNPOEPNH-MNOVXSKESA-N 2 2 295.387 0.314 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccon1 ZINC001447945034 930763238 /nfs/dbraw/zinc/76/32/38/930763238.db2.gz YWMLOHJYIQCTBE-GHMZBOCLSA-N 2 2 291.355 0.863 20 0 CCADLP CC(C)(C)CC[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001448952457 931035034 /nfs/dbraw/zinc/03/50/34/931035034.db2.gz JCRRPVRCIDLWGZ-GFCCVEGCSA-N 2 2 282.388 0.386 20 0 CCADLP CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001376075078 931045727 /nfs/dbraw/zinc/04/57/27/931045727.db2.gz WAMGYARTISUYRF-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001376075078 931045738 /nfs/dbraw/zinc/04/57/38/931045738.db2.gz WAMGYARTISUYRF-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC001449092200 931067378 /nfs/dbraw/zinc/06/73/78/931067378.db2.gz VWVBHHSLHWNGAN-UMSGYPCISA-N 2 2 290.367 0.181 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC001449092200 931067384 /nfs/dbraw/zinc/06/73/84/931067384.db2.gz VWVBHHSLHWNGAN-UMSGYPCISA-N 2 2 290.367 0.181 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]([NH2+]CCO)C1CC1 ZINC001376246723 931105547 /nfs/dbraw/zinc/10/55/47/931105547.db2.gz CFQRCUNSJGARQZ-GXFFZTMASA-N 2 2 280.372 0.065 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]([NH2+]CCO)C1CC1 ZINC001376246723 931105551 /nfs/dbraw/zinc/10/55/51/931105551.db2.gz CFQRCUNSJGARQZ-GXFFZTMASA-N 2 2 280.372 0.065 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC001449355362 931129980 /nfs/dbraw/zinc/12/99/80/931129980.db2.gz FUHRMIRDNJQCHV-QWHCGFSZSA-N 2 2 269.389 0.044 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC001449355362 931129987 /nfs/dbraw/zinc/12/99/87/931129987.db2.gz FUHRMIRDNJQCHV-QWHCGFSZSA-N 2 2 269.389 0.044 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001376615150 931191391 /nfs/dbraw/zinc/19/13/91/931191391.db2.gz WUNJYDINFCYYRU-OCCSQVGLSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001376615150 931191398 /nfs/dbraw/zinc/19/13/98/931191398.db2.gz WUNJYDINFCYYRU-OCCSQVGLSA-N 2 2 294.399 0.694 20 0 CCADLP CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001376650123 931200624 /nfs/dbraw/zinc/20/06/24/931200624.db2.gz WFIRQJFEXAEDFP-KBPBESRZSA-N 2 2 285.432 0.800 20 0 CCADLP CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001376650123 931200635 /nfs/dbraw/zinc/20/06/35/931200635.db2.gz WFIRQJFEXAEDFP-KBPBESRZSA-N 2 2 285.432 0.800 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC001449962622 931211694 /nfs/dbraw/zinc/21/16/94/931211694.db2.gz DDXDLSAJWYVPNO-MNOVXSKESA-N 2 2 250.346 0.512 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C)[nH]1 ZINC001376763922 931263954 /nfs/dbraw/zinc/26/39/54/931263954.db2.gz NUCSEKOMRDZFLN-ZYHUDNBSSA-N 2 2 294.403 0.192 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCCC[N@H+]2C)[nH]1 ZINC001376763922 931263960 /nfs/dbraw/zinc/26/39/60/931263960.db2.gz NUCSEKOMRDZFLN-ZYHUDNBSSA-N 2 2 294.403 0.192 20 0 CCADLP Cc1cc(C[NH2+][C@H](C)CNC(=O)Cn2cc[nH+]c2)on1 ZINC001376888604 931313839 /nfs/dbraw/zinc/31/38/39/931313839.db2.gz SCPDRSMZPQMNLZ-LLVKDONJSA-N 2 2 277.328 0.474 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)N1CCn2c[nH+]cc2C1 ZINC001450721090 931329143 /nfs/dbraw/zinc/32/91/43/931329143.db2.gz LBQGXZFMSXJBCB-LLVKDONJSA-N 2 2 250.346 0.813 20 0 CCADLP CN(CCC[N@H+](C)CCO)C(=O)c1cccc2[nH+]ccn21 ZINC001376954393 931337171 /nfs/dbraw/zinc/33/71/71/931337171.db2.gz UBYJAYCFPNZSCK-UHFFFAOYSA-N 2 2 290.367 0.721 20 0 CCADLP CN(CCC[N@@H+](C)CCO)C(=O)c1cccc2[nH+]ccn21 ZINC001376954393 931337175 /nfs/dbraw/zinc/33/71/75/931337175.db2.gz UBYJAYCFPNZSCK-UHFFFAOYSA-N 2 2 290.367 0.721 20 0 CCADLP CO[C@H](C)C[N@H+](C)CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001376993092 931347949 /nfs/dbraw/zinc/34/79/49/931347949.db2.gz AUHNQHXTTUOIIY-GFCCVEGCSA-N 2 2 282.388 0.767 20 0 CCADLP CO[C@H](C)C[N@@H+](C)CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001376993092 931347951 /nfs/dbraw/zinc/34/79/51/931347951.db2.gz AUHNQHXTTUOIIY-GFCCVEGCSA-N 2 2 282.388 0.767 20 0 CCADLP COC[C@@H](C)[N@H+](C)CCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001377002003 931350122 /nfs/dbraw/zinc/35/01/22/931350122.db2.gz QRWZRCBHFVAYAN-CYBMUJFWSA-N 2 2 296.415 0.778 20 0 CCADLP COC[C@@H](C)[N@@H+](C)CCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001377002003 931350130 /nfs/dbraw/zinc/35/01/30/931350130.db2.gz QRWZRCBHFVAYAN-CYBMUJFWSA-N 2 2 296.415 0.778 20 0 CCADLP [NH3+]Cc1nc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cs1 ZINC000090931012 349445112 /nfs/dbraw/zinc/44/51/12/349445112.db2.gz CCBIKOCMNOKMIT-JTQLQIEISA-N 2 2 280.397 0.912 20 0 CCADLP [NH3+]Cc1nc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)cs1 ZINC000090931012 349445116 /nfs/dbraw/zinc/44/51/16/349445116.db2.gz CCBIKOCMNOKMIT-JTQLQIEISA-N 2 2 280.397 0.912 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3n[nH]nc3C2)CC1 ZINC000337446218 214087670 /nfs/dbraw/zinc/08/76/70/214087670.db2.gz CIUNGEKTTZGINV-UHFFFAOYSA-N 2 2 292.431 0.579 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3n[nH]nc3C2)CC1 ZINC000337446218 214087673 /nfs/dbraw/zinc/08/76/73/214087673.db2.gz CIUNGEKTTZGINV-UHFFFAOYSA-N 2 2 292.431 0.579 20 0 CCADLP CC(C)CCOCCNC(=O)C[NH+]1CCC([NH3+])CC1 ZINC000092714687 349503585 /nfs/dbraw/zinc/50/35/85/349503585.db2.gz AXZYYWDZMJDFOA-UHFFFAOYSA-N 2 2 271.405 0.588 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000337475379 214105773 /nfs/dbraw/zinc/10/57/73/214105773.db2.gz XYZBHLBLRRNPSW-KGLIPLIRSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000337475379 214105775 /nfs/dbraw/zinc/10/57/75/214105775.db2.gz XYZBHLBLRRNPSW-KGLIPLIRSA-N 2 2 295.427 0.698 20 0 CCADLP O=C(NC[C@@H]1CC[NH2+]C1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000273051819 192030764 /nfs/dbraw/zinc/03/07/64/192030764.db2.gz RBZOITDCAGTNNB-LLVKDONJSA-N 2 2 271.324 0.607 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+](CC2CC2)CC2CC2)CC1 ZINC000093193513 349530810 /nfs/dbraw/zinc/53/08/10/349530810.db2.gz YELGPNUZKPJLJC-UHFFFAOYSA-N 2 2 265.401 0.882 20 0 CCADLP C[N@H+](CCc1nccs1)CC(=O)N1CC[NH+](C)CC1 ZINC000093208335 349530864 /nfs/dbraw/zinc/53/08/64/349530864.db2.gz GCMUMWCANQTTRW-UHFFFAOYSA-N 2 2 282.413 0.391 20 0 CCADLP C[N@@H+](CCc1nccs1)CC(=O)N1CC[NH+](C)CC1 ZINC000093208335 349530866 /nfs/dbraw/zinc/53/08/66/349530866.db2.gz GCMUMWCANQTTRW-UHFFFAOYSA-N 2 2 282.413 0.391 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)c1[nH]nc2c1C[NH2+]CC2 ZINC000082807114 178308512 /nfs/dbraw/zinc/30/85/12/178308512.db2.gz IOZCQGWMFYNSAS-UHFFFAOYSA-N 2 2 274.328 0.072 20 0 CCADLP C[N@H+](CC(=O)NCC(F)(F)F)CC(C)(C)C[NH3+] ZINC000093873990 349554929 /nfs/dbraw/zinc/55/49/29/349554929.db2.gz AXNAIQYTUUEJFY-UHFFFAOYSA-N 2 2 255.284 0.582 20 0 CCADLP C[N@@H+](CC(=O)NCC(F)(F)F)CC(C)(C)C[NH3+] ZINC000093873990 349554938 /nfs/dbraw/zinc/55/49/38/349554938.db2.gz AXNAIQYTUUEJFY-UHFFFAOYSA-N 2 2 255.284 0.582 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)C[C@H](C)O1 ZINC000094342160 349567829 /nfs/dbraw/zinc/56/78/29/349567829.db2.gz IWDDUHGWQHONSJ-NDBYEHHHSA-N 2 2 269.389 0.291 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)C[C@H](C)O1 ZINC000094342160 349567832 /nfs/dbraw/zinc/56/78/32/349567832.db2.gz IWDDUHGWQHONSJ-NDBYEHHHSA-N 2 2 269.389 0.291 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2C[C@H](C(N)=O)C2)CC1 ZINC000600188792 361885279 /nfs/dbraw/zinc/88/52/79/361885279.db2.gz BXHVAUMWDCSKSL-AULYBMBSSA-N 2 2 297.399 0.258 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CCO1 ZINC000418604939 529392655 /nfs/dbraw/zinc/39/26/55/529392655.db2.gz YDLDDEGDTBVNJH-BFHYXJOUSA-N 2 2 298.431 0.394 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CCO1 ZINC000418604939 529392657 /nfs/dbraw/zinc/39/26/57/529392657.db2.gz YDLDDEGDTBVNJH-BFHYXJOUSA-N 2 2 298.431 0.394 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@@H]3CCCC[NH2+]3)CC2)cc[nH+]1 ZINC000423775399 282186590 /nfs/dbraw/zinc/18/65/90/282186590.db2.gz CTKMIQHVWHGURP-ZDUSSCGKSA-N 2 2 289.383 0.576 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000492320070 529554854 /nfs/dbraw/zinc/55/48/54/529554854.db2.gz OBUNCGJWHGGSGU-GFUIURDCSA-N 2 2 291.399 0.278 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000492320070 529554857 /nfs/dbraw/zinc/55/48/57/529554857.db2.gz OBUNCGJWHGGSGU-GFUIURDCSA-N 2 2 291.399 0.278 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000493802061 529555538 /nfs/dbraw/zinc/55/55/38/529555538.db2.gz IOFPCLVZFSLDAZ-PGLGOXFNSA-N 2 2 264.329 0.021 20 0 CCADLP C[C@@H]([NH3+])C1CC[NH+](Cc2nnnn2C2CC2)CC1 ZINC000104134134 349709319 /nfs/dbraw/zinc/70/93/19/349709319.db2.gz FWDYQOBEVDKPOS-SECBINFHSA-N 2 2 250.350 0.567 20 0 CCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107574411 349738753 /nfs/dbraw/zinc/73/87/53/349738753.db2.gz ZFLNSNXYCLSGAY-JHJVBQTASA-N 2 2 251.374 0.539 20 0 CCADLP CC(C)c1nc(N2CCN(C(=O)C[NH+](C)C)CC2)cc[nH+]1 ZINC000110128109 349756377 /nfs/dbraw/zinc/75/63/77/349756377.db2.gz RSPDJEOGPBZQGJ-UHFFFAOYSA-N 2 2 291.399 0.810 20 0 CCADLP NC(=O)c1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000112839417 349793864 /nfs/dbraw/zinc/79/38/64/349793864.db2.gz VNXUHFKTYFGZRX-HUUCEWRRSA-N 2 2 289.379 0.738 20 0 CCADLP NC(=O)c1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000112839417 349793867 /nfs/dbraw/zinc/79/38/67/349793867.db2.gz VNXUHFKTYFGZRX-HUUCEWRRSA-N 2 2 289.379 0.738 20 0 CCADLP CCO[C@@H]1C[N@H+](Cc2cnc(C(=O)OC)cn2)C[C@H]1C[NH3+] ZINC000600708266 362041072 /nfs/dbraw/zinc/04/10/72/362041072.db2.gz DWYPQBJAHJRZTP-ZWNOBZJWSA-N 2 2 294.355 0.059 20 0 CCADLP CCO[C@@H]1C[N@@H+](Cc2cnc(C(=O)OC)cn2)C[C@H]1C[NH3+] ZINC000600708266 362041077 /nfs/dbraw/zinc/04/10/77/362041077.db2.gz DWYPQBJAHJRZTP-ZWNOBZJWSA-N 2 2 294.355 0.059 20 0 CCADLP COC(=O)c1cnc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cn1 ZINC000600709542 362041246 /nfs/dbraw/zinc/04/12/46/362041246.db2.gz KVUQTIKWANQYSR-GHMZBOCLSA-N 2 2 264.329 0.623 20 0 CCADLP CC(C)(CNC(=O)Cn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000112976238 349797268 /nfs/dbraw/zinc/79/72/68/349797268.db2.gz OCTVDKFRNCZOGM-UHFFFAOYSA-N 2 2 266.345 0.110 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000126341542 187233619 /nfs/dbraw/zinc/23/36/19/187233619.db2.gz NJYNHTBHICNXBV-LBPRGKRZSA-N 2 2 264.329 0.428 20 0 CCADLP CC[C@H](C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)[NH+](C)C ZINC000617730553 365740063 /nfs/dbraw/zinc/74/00/63/365740063.db2.gz OGZISVHVFKXZIP-JHJVBQTASA-N 2 2 271.405 0.552 20 0 CCADLP CC[C@H](C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)[NH+](C)C ZINC000617730553 365740067 /nfs/dbraw/zinc/74/00/67/365740067.db2.gz OGZISVHVFKXZIP-JHJVBQTASA-N 2 2 271.405 0.552 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000601047849 362142310 /nfs/dbraw/zinc/14/23/10/362142310.db2.gz LPFNCQSMEZVXBV-HUUCEWRRSA-N 2 2 295.427 0.651 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000601047849 362142314 /nfs/dbraw/zinc/14/23/14/362142314.db2.gz LPFNCQSMEZVXBV-HUUCEWRRSA-N 2 2 295.427 0.651 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)NC(=O)NC1CC1 ZINC000601335338 362231351 /nfs/dbraw/zinc/23/13/51/362231351.db2.gz SLQRHQPMJUPDPY-ZYHUDNBSSA-N 2 2 280.372 0.049 20 0 CCADLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)NC(=O)NC1CC1 ZINC000601335338 362231356 /nfs/dbraw/zinc/23/13/56/362231356.db2.gz SLQRHQPMJUPDPY-ZYHUDNBSSA-N 2 2 280.372 0.049 20 0 CCADLP COC(=O)c1cnc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cn1 ZINC000601334943 362231490 /nfs/dbraw/zinc/23/14/90/362231490.db2.gz OVRIZDPZYZYDQG-BXUZGUMPSA-N 2 2 290.367 0.837 20 0 CCADLP COC(=O)c1cnc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cn1 ZINC000601334943 362231497 /nfs/dbraw/zinc/23/14/97/362231497.db2.gz OVRIZDPZYZYDQG-BXUZGUMPSA-N 2 2 290.367 0.837 20 0 CCADLP C[C@@H](CCNC(=O)C(C)(C)[NH+]1CCOCC1)[NH+](C)C ZINC000617758436 365760658 /nfs/dbraw/zinc/76/06/58/365760658.db2.gz PIMIBGORWZTQTD-LBPRGKRZSA-N 2 2 271.405 0.554 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ncccc1F ZINC000617763056 365766311 /nfs/dbraw/zinc/76/63/11/365766311.db2.gz CBITZATWPVQUCW-UHFFFAOYSA-N 2 2 282.363 0.834 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ncccc1F ZINC000617763056 365766315 /nfs/dbraw/zinc/76/63/15/365766315.db2.gz CBITZATWPVQUCW-UHFFFAOYSA-N 2 2 282.363 0.834 20 0 CCADLP C[C@@H]1C[C@@H](C)[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)O1 ZINC000617764162 365766902 /nfs/dbraw/zinc/76/69/02/365766902.db2.gz LGHKTKGESWGGGM-MCIONIFRSA-N 2 2 285.432 0.800 20 0 CCADLP C[C@@H]1C[C@@H](C)[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)O1 ZINC000617764162 365766905 /nfs/dbraw/zinc/76/69/05/365766905.db2.gz LGHKTKGESWGGGM-MCIONIFRSA-N 2 2 285.432 0.800 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1csc(=O)[nH]1 ZINC000617765115 365768436 /nfs/dbraw/zinc/76/84/36/365768436.db2.gz UKUHCTHWQVXGQO-UHFFFAOYSA-N 2 2 286.401 0.462 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1csc(=O)[nH]1 ZINC000617765115 365768444 /nfs/dbraw/zinc/76/84/44/365768444.db2.gz UKUHCTHWQVXGQO-UHFFFAOYSA-N 2 2 286.401 0.462 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@@H]1CCCC(=O)N1 ZINC000617764219 365768729 /nfs/dbraw/zinc/76/87/29/365768729.db2.gz NKYKYBXFOKSVCO-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@@H]1CCCC(=O)N1 ZINC000617764219 365768738 /nfs/dbraw/zinc/76/87/38/365768738.db2.gz NKYKYBXFOKSVCO-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@]1(C)CCCOC1 ZINC000617764714 365769283 /nfs/dbraw/zinc/76/92/83/365769283.db2.gz DACIPLHJSFGMEL-HNNXBMFYSA-N 2 2 285.432 0.803 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@]1(C)CCCOC1 ZINC000617764714 365769288 /nfs/dbraw/zinc/76/92/88/365769288.db2.gz DACIPLHJSFGMEL-HNNXBMFYSA-N 2 2 285.432 0.803 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1CCC(O)CC1 ZINC000617764194 365769575 /nfs/dbraw/zinc/76/95/75/365769575.db2.gz MHBHUNBEWQWXIH-UHFFFAOYSA-N 2 2 285.432 0.537 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1CCC(O)CC1 ZINC000617764194 365769582 /nfs/dbraw/zinc/76/95/82/365769582.db2.gz MHBHUNBEWQWXIH-UHFFFAOYSA-N 2 2 285.432 0.537 20 0 CCADLP Cc1ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(=O)[nH]1 ZINC000617767510 365773438 /nfs/dbraw/zinc/77/34/38/365773438.db2.gz YOXIAQFVGOJDTD-UHFFFAOYSA-N 2 2 294.399 0.709 20 0 CCADLP Cc1ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c(=O)[nH]1 ZINC000617767510 365773443 /nfs/dbraw/zinc/77/34/43/365773443.db2.gz YOXIAQFVGOJDTD-UHFFFAOYSA-N 2 2 294.399 0.709 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CC1CCOCC1 ZINC000617766931 365773877 /nfs/dbraw/zinc/77/38/77/365773877.db2.gz ZHXUHUNFOVMJRY-UHFFFAOYSA-N 2 2 285.432 0.803 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CC1CCOCC1 ZINC000617766931 365773883 /nfs/dbraw/zinc/77/38/83/365773883.db2.gz ZHXUHUNFOVMJRY-UHFFFAOYSA-N 2 2 285.432 0.803 20 0 CCADLP COc1ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000617766371 365770968 /nfs/dbraw/zinc/77/09/68/365770968.db2.gz IBGYEIWJMGOPAJ-UHFFFAOYSA-N 2 2 295.387 0.099 20 0 CCADLP COc1ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000617766371 365770970 /nfs/dbraw/zinc/77/09/70/365770970.db2.gz IBGYEIWJMGOPAJ-UHFFFAOYSA-N 2 2 295.387 0.099 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)CCC1=O ZINC000617765854 365771357 /nfs/dbraw/zinc/77/13/57/365771357.db2.gz SZCYDBCHWBWYBT-KGLIPLIRSA-N 2 2 297.443 0.991 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCC1=O ZINC000617765854 365771360 /nfs/dbraw/zinc/77/13/60/365771360.db2.gz SZCYDBCHWBWYBT-KGLIPLIRSA-N 2 2 297.443 0.991 20 0 CCADLP C[C@@H]1C[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)CCC1=O ZINC000617765856 365771737 /nfs/dbraw/zinc/77/17/37/365771737.db2.gz SZCYDBCHWBWYBT-ZIAGYGMSSA-N 2 2 297.443 0.991 20 0 CCADLP C[C@@H]1C[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCC1=O ZINC000617765856 365771742 /nfs/dbraw/zinc/77/17/42/365771742.db2.gz SZCYDBCHWBWYBT-ZIAGYGMSSA-N 2 2 297.443 0.991 20 0 CCADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@H]2CC[NH2+]C2)C1 ZINC000423862594 529788465 /nfs/dbraw/zinc/78/84/65/529788465.db2.gz GFDQNRRMATXBDF-KBPBESRZSA-N 2 2 281.400 0.165 20 0 CCADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@H]2CC[NH2+]C2)C1 ZINC000423862594 529788466 /nfs/dbraw/zinc/78/84/66/529788466.db2.gz GFDQNRRMATXBDF-KBPBESRZSA-N 2 2 281.400 0.165 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@H]1CCCC[NH2+]1 ZINC000423822659 529898381 /nfs/dbraw/zinc/89/83/81/529898381.db2.gz GJLKQNOWTZGRJO-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418590936 529910911 /nfs/dbraw/zinc/91/09/11/529910911.db2.gz UJAPGGQOLBYKKH-CHWSQXEVSA-N 2 2 284.404 0.230 20 0 CCADLP C[NH2+]CCCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000418277327 529967763 /nfs/dbraw/zinc/96/77/63/529967763.db2.gz ICZFQWSMJYPHEE-UHFFFAOYSA-N 2 2 291.399 0.518 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842928 349908976 /nfs/dbraw/zinc/90/89/76/349908976.db2.gz OMOXTXNCQTWAKD-GFCCVEGCSA-N 2 2 284.404 0.496 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842928 349908978 /nfs/dbraw/zinc/90/89/78/349908978.db2.gz OMOXTXNCQTWAKD-GFCCVEGCSA-N 2 2 284.404 0.496 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842928 349908980 /nfs/dbraw/zinc/90/89/80/349908980.db2.gz OMOXTXNCQTWAKD-GFCCVEGCSA-N 2 2 284.404 0.496 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842928 349908982 /nfs/dbraw/zinc/90/89/82/349908982.db2.gz OMOXTXNCQTWAKD-GFCCVEGCSA-N 2 2 284.404 0.496 20 0 CCADLP C[NH2+]CCNC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000418331755 529975706 /nfs/dbraw/zinc/97/57/06/529975706.db2.gz QPWMIMOBVXNCQN-UHFFFAOYSA-N 2 2 294.374 0.872 20 0 CCADLP COC(=O)CC[N@H+](C[C@@H]1CCCO1)CC12CC(C1)C[NH2+]2 ZINC000602017968 362460079 /nfs/dbraw/zinc/46/00/79/362460079.db2.gz VFLAASWXBIKDCQ-OWYJLGKBSA-N 2 2 282.384 0.783 20 0 CCADLP COC(=O)CC[N@@H+](C[C@@H]1CCCO1)CC12CC(C1)C[NH2+]2 ZINC000602017968 362460086 /nfs/dbraw/zinc/46/00/86/362460086.db2.gz VFLAASWXBIKDCQ-OWYJLGKBSA-N 2 2 282.384 0.783 20 0 CCADLP CN(C)c1[nH+]cc(CNC(C)(C)C[NH+](C)C)n1C ZINC000308607030 232014229 /nfs/dbraw/zinc/01/42/29/232014229.db2.gz DYHDEAOFUKOAAM-UHFFFAOYSA-N 2 2 253.394 0.916 20 0 CCADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000449118167 530042222 /nfs/dbraw/zinc/04/22/22/530042222.db2.gz RIMDRDLXGHSDHW-OLZOCXBDSA-N 2 2 285.432 0.848 20 0 CCADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000449118167 530042223 /nfs/dbraw/zinc/04/22/23/530042223.db2.gz RIMDRDLXGHSDHW-OLZOCXBDSA-N 2 2 285.432 0.848 20 0 CCADLP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655241843 412517875 /nfs/dbraw/zinc/51/78/75/412517875.db2.gz SKTIXSXALDGZTO-LJISPDSOSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655241843 412517878 /nfs/dbraw/zinc/51/78/78/412517878.db2.gz SKTIXSXALDGZTO-LJISPDSOSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@H](CNC(=O)C[NH+]1CC[C@H](C)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655241843 412517880 /nfs/dbraw/zinc/51/78/80/412517880.db2.gz SKTIXSXALDGZTO-LJISPDSOSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@H](CNC(=O)C[NH+]1CC[C@H](C)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655241843 412517882 /nfs/dbraw/zinc/51/78/82/412517882.db2.gz SKTIXSXALDGZTO-LJISPDSOSA-N 2 2 297.443 0.942 20 0 CCADLP COC[C@@H](C)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000358297883 232076876 /nfs/dbraw/zinc/07/68/76/232076876.db2.gz KNDFAFJJEAEWGT-CQSZACIVSA-N 2 2 285.432 0.408 20 0 CCADLP COC[C@@H](C)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000358297883 232076879 /nfs/dbraw/zinc/07/68/79/232076879.db2.gz KNDFAFJJEAEWGT-CQSZACIVSA-N 2 2 285.432 0.408 20 0 CCADLP C[C@@H](CNC(=O)CCc1[nH]cc[nH+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655241926 412518239 /nfs/dbraw/zinc/51/82/39/412518239.db2.gz USLRWWIIDAENJH-RWMBFGLXSA-N 2 2 294.399 0.956 20 0 CCADLP C[C@@H](CNC(=O)CCc1[nH]cc[nH+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655241926 412518244 /nfs/dbraw/zinc/51/82/44/412518244.db2.gz USLRWWIIDAENJH-RWMBFGLXSA-N 2 2 294.399 0.956 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](C)[NH+](C)C)C[C@@H]1C ZINC000602127864 362508330 /nfs/dbraw/zinc/50/83/30/362508330.db2.gz AJGUANREUJFFMR-RYUDHWBXSA-N 2 2 285.388 0.032 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H](C)[NH+](C)C)C[C@@H]1C ZINC000602127864 362508336 /nfs/dbraw/zinc/50/83/36/362508336.db2.gz AJGUANREUJFFMR-RYUDHWBXSA-N 2 2 285.388 0.032 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H](O)COC1CCOCC1 ZINC000119327912 349929684 /nfs/dbraw/zinc/92/96/84/349929684.db2.gz UIENLHWLUQZMEO-AWEZNQCLSA-N 2 2 297.399 0.762 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H](O)COC1CCOCC1 ZINC000119327912 349929690 /nfs/dbraw/zinc/92/96/90/349929690.db2.gz UIENLHWLUQZMEO-AWEZNQCLSA-N 2 2 297.399 0.762 20 0 CCADLP COC(=O)c1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)[nH]c1C ZINC000602493728 362644387 /nfs/dbraw/zinc/64/43/87/362644387.db2.gz KPMIHVXXTCLKCS-GHMZBOCLSA-N 2 2 263.341 0.761 20 0 CCADLP COC(=O)c1oc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1C ZINC000602598837 362703517 /nfs/dbraw/zinc/70/35/17/362703517.db2.gz TUQMKYQXIDYOHD-LLVKDONJSA-N 2 2 297.355 0.270 20 0 CCADLP CCN(C#N)CC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000602797359 362806013 /nfs/dbraw/zinc/80/60/13/362806013.db2.gz HIBJINMHOQCDMS-CVEARBPZSA-N 2 2 293.459 0.747 20 0 CCADLP CCN(C#N)CC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000602797359 362806018 /nfs/dbraw/zinc/80/60/18/362806018.db2.gz HIBJINMHOQCDMS-CVEARBPZSA-N 2 2 293.459 0.747 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)NC[C@H]1CCCO1 ZINC000252688659 535063809 /nfs/dbraw/zinc/06/38/09/535063809.db2.gz OYDAJFXJHDDEHH-CHWSQXEVSA-N 2 2 271.405 0.587 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)NC[C@H]1CCCO1 ZINC000252688659 535063815 /nfs/dbraw/zinc/06/38/15/535063815.db2.gz OYDAJFXJHDDEHH-CHWSQXEVSA-N 2 2 271.405 0.587 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)[nH]1 ZINC000252607951 137003354 /nfs/dbraw/zinc/00/33/54/137003354.db2.gz RVAUJFQGLAEXSE-STQMWFEESA-N 2 2 293.367 0.754 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)[nH]1 ZINC000252607951 137003355 /nfs/dbraw/zinc/00/33/55/137003355.db2.gz RVAUJFQGLAEXSE-STQMWFEESA-N 2 2 293.367 0.754 20 0 CCADLP c1nc(N[C@@H]2CCC[NH2+]C2)cc(N2CCOCC2)[nH+]1 ZINC000258616968 137005712 /nfs/dbraw/zinc/00/57/12/137005712.db2.gz JBDOPRMGRRKBQC-LLVKDONJSA-N 2 2 263.345 0.477 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000261571514 137009203 /nfs/dbraw/zinc/00/92/03/137009203.db2.gz LDGKVXINXDALDM-ZZVYKPCYSA-N 2 2 254.374 0.911 20 0 CCADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCCCC1 ZINC000261573298 137009243 /nfs/dbraw/zinc/00/92/43/137009243.db2.gz MEJBONKBTAFHKP-STQMWFEESA-N 2 2 251.374 0.540 20 0 CCADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCCCC1 ZINC000261573298 137009244 /nfs/dbraw/zinc/00/92/44/137009244.db2.gz MEJBONKBTAFHKP-STQMWFEESA-N 2 2 251.374 0.540 20 0 CCADLP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261580371 137009941 /nfs/dbraw/zinc/00/99/41/137009941.db2.gz PZGROSHELQJWMD-VXGBXAGGSA-N 2 2 253.390 0.975 20 0 CCADLP CCC(C)(C)NC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261580371 137009942 /nfs/dbraw/zinc/00/99/42/137009942.db2.gz PZGROSHELQJWMD-VXGBXAGGSA-N 2 2 253.390 0.975 20 0 CCADLP NC(=O)c1cccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000261636246 137012922 /nfs/dbraw/zinc/01/29/22/137012922.db2.gz IEIVXSQPDOSAKJ-HNNXBMFYSA-N 2 2 288.395 0.265 20 0 CCADLP C[C@H]([NH3+])CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000261645437 137013770 /nfs/dbraw/zinc/01/37/70/137013770.db2.gz XMLHHVGDVCZVSW-ZFWWWQNUSA-N 2 2 291.395 0.741 20 0 CCADLP C[C@H]([NH3+])CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000261645437 137013771 /nfs/dbraw/zinc/01/37/71/137013771.db2.gz XMLHHVGDVCZVSW-ZFWWWQNUSA-N 2 2 291.395 0.741 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@@H](C)O1 ZINC000261652606 137014168 /nfs/dbraw/zinc/01/41/68/137014168.db2.gz DJVZGYXFWCFXCN-SYQHCUMBSA-N 2 2 281.400 0.164 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@@H](C)O1 ZINC000261652606 137014169 /nfs/dbraw/zinc/01/41/69/137014169.db2.gz DJVZGYXFWCFXCN-SYQHCUMBSA-N 2 2 281.400 0.164 20 0 CCADLP CCc1nc(N(C)CC(=O)N2CC[NH2+]CC2)cc(C)[nH+]1 ZINC000261691838 137016177 /nfs/dbraw/zinc/01/61/77/137016177.db2.gz HRRLPKSKDCSEPN-UHFFFAOYSA-N 2 2 277.372 0.215 20 0 CCADLP C[C@H]([NH3+])CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000261778591 137019742 /nfs/dbraw/zinc/01/97/42/137019742.db2.gz JIASZDLDQVAOHC-RYUDHWBXSA-N 2 2 255.362 0.047 20 0 CCADLP c1c(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)nc2ncccn12 ZINC000261795605 137020335 /nfs/dbraw/zinc/02/03/35/137020335.db2.gz YGYZWRQMZNNMGW-AWEZNQCLSA-N 2 2 286.383 0.209 20 0 CCADLP O=c1n2ccccc2nn1CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261800909 137020743 /nfs/dbraw/zinc/02/07/43/137020743.db2.gz YREZFDNQDVLTGS-CHWSQXEVSA-N 2 2 287.367 0.037 20 0 CCADLP O=c1n2ccccc2nn1CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261800909 137020744 /nfs/dbraw/zinc/02/07/44/137020744.db2.gz YREZFDNQDVLTGS-CHWSQXEVSA-N 2 2 287.367 0.037 20 0 CCADLP [NH3+][C@@H](CC1CCCCC1)C(=O)N1CC[NH+](CCO)CC1 ZINC000261834924 137022152 /nfs/dbraw/zinc/02/21/52/137022152.db2.gz VBTXFLDLSWVAHI-AWEZNQCLSA-N 2 2 283.416 0.421 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000261881202 137023723 /nfs/dbraw/zinc/02/37/23/137023723.db2.gz ZDEIVYIOYRGNJN-SOUVJXGZSA-N 2 2 295.427 0.827 20 0 CCADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)C[C@@H](C)[NH3+])CC1 ZINC000261927148 137025976 /nfs/dbraw/zinc/02/59/76/137025976.db2.gz YLQRBXRAYRXCBJ-LLVKDONJSA-N 2 2 293.415 0.418 20 0 CCADLP Cc1nc(C)n(C[C@H]2C[N@H+](C[C@@H]3CCC[NH2+]C3)CCO2)n1 ZINC000262003645 137027806 /nfs/dbraw/zinc/02/78/06/137027806.db2.gz UHRZHRIICMUWED-HUUCEWRRSA-N 2 2 293.415 0.595 20 0 CCADLP Cc1nc(C)n(C[C@H]2C[N@@H+](C[C@@H]3CCC[NH2+]C3)CCO2)n1 ZINC000262003645 137027807 /nfs/dbraw/zinc/02/78/07/137027807.db2.gz UHRZHRIICMUWED-HUUCEWRRSA-N 2 2 293.415 0.595 20 0 CCADLP CCCNC(=O)[C@@H]1CCC[N@H+](Cc2noc(C[NH3+])n2)C1 ZINC000262301173 137036290 /nfs/dbraw/zinc/03/62/90/137036290.db2.gz XNVVOQCYHREEOQ-SNVBAGLBSA-N 2 2 281.360 0.267 20 0 CCADLP CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2noc(C[NH3+])n2)C1 ZINC000262301173 137036291 /nfs/dbraw/zinc/03/62/91/137036291.db2.gz XNVVOQCYHREEOQ-SNVBAGLBSA-N 2 2 281.360 0.267 20 0 CCADLP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000311040136 137073782 /nfs/dbraw/zinc/07/37/82/137073782.db2.gz OVRGIWQBVWPJKW-YNEHKIRRSA-N 2 2 253.390 0.833 20 0 CCADLP CCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000311040136 137073783 /nfs/dbraw/zinc/07/37/83/137073783.db2.gz OVRGIWQBVWPJKW-YNEHKIRRSA-N 2 2 253.390 0.833 20 0 CCADLP CC[C@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)CCCO1 ZINC000310951750 137073792 /nfs/dbraw/zinc/07/37/92/137073792.db2.gz NZAQRUKQYUSSHR-KBPBESRZSA-N 2 2 256.390 0.942 20 0 CCADLP CC[C@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)CCCO1 ZINC000310951750 137073793 /nfs/dbraw/zinc/07/37/93/137073793.db2.gz NZAQRUKQYUSSHR-KBPBESRZSA-N 2 2 256.390 0.942 20 0 CCADLP CC[C@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CCCO1 ZINC000310951750 137073794 /nfs/dbraw/zinc/07/37/94/137073794.db2.gz NZAQRUKQYUSSHR-KBPBESRZSA-N 2 2 256.390 0.942 20 0 CCADLP CC[C@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CCCO1 ZINC000310951750 137073795 /nfs/dbraw/zinc/07/37/95/137073795.db2.gz NZAQRUKQYUSSHR-KBPBESRZSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@H](O)C1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000311084944 137074101 /nfs/dbraw/zinc/07/41/01/137074101.db2.gz OJMNOHBLTDVNKC-SMDDNHRTSA-N 2 2 256.390 0.534 20 0 CCADLP C[C@H](O)C1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000311084944 137074102 /nfs/dbraw/zinc/07/41/02/137074102.db2.gz OJMNOHBLTDVNKC-SMDDNHRTSA-N 2 2 256.390 0.534 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000311944042 137075890 /nfs/dbraw/zinc/07/58/90/137075890.db2.gz WQSQNLTWUBLCCR-AVGNSLFASA-N 2 2 269.389 0.211 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000311944042 137075891 /nfs/dbraw/zinc/07/58/91/137075891.db2.gz WQSQNLTWUBLCCR-AVGNSLFASA-N 2 2 269.389 0.211 20 0 CCADLP COC(=O)[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000312046525 137076442 /nfs/dbraw/zinc/07/64/42/137076442.db2.gz ZJXQLJOPJMPWER-WCQYABFASA-N 2 2 270.373 0.327 20 0 CCADLP COC(=O)[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000312046525 137076443 /nfs/dbraw/zinc/07/64/43/137076443.db2.gz ZJXQLJOPJMPWER-WCQYABFASA-N 2 2 270.373 0.327 20 0 CCADLP COC(=O)[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000312046525 137076444 /nfs/dbraw/zinc/07/64/44/137076444.db2.gz ZJXQLJOPJMPWER-WCQYABFASA-N 2 2 270.373 0.327 20 0 CCADLP COC(=O)[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000312046525 137076445 /nfs/dbraw/zinc/07/64/45/137076445.db2.gz ZJXQLJOPJMPWER-WCQYABFASA-N 2 2 270.373 0.327 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000342946191 137105186 /nfs/dbraw/zinc/10/51/86/137105186.db2.gz KUKKBYJPEWXDDV-CHWSQXEVSA-N 2 2 264.373 0.929 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000342946191 137105187 /nfs/dbraw/zinc/10/51/87/137105187.db2.gz KUKKBYJPEWXDDV-CHWSQXEVSA-N 2 2 264.373 0.929 20 0 CCADLP C[C@H]1[C@@H](Nc2cc(-n3cccn3)nc(N)[nH+]2)CCC[N@@H+]1C ZINC000343473456 137137348 /nfs/dbraw/zinc/13/73/48/137137348.db2.gz KSKYLRYKEUWCRJ-QWRGUYRKSA-N 2 2 287.371 0.969 20 0 CCADLP C[C@H]1[C@@H](Nc2cc(-n3cccn3)nc(N)[nH+]2)CCC[N@H+]1C ZINC000343473456 137137349 /nfs/dbraw/zinc/13/73/49/137137349.db2.gz KSKYLRYKEUWCRJ-QWRGUYRKSA-N 2 2 287.371 0.969 20 0 CCADLP CC[N@H+](CC(=O)NCC[NH+]1CCOC[C@H]1C)C1CC1 ZINC000343691716 137150197 /nfs/dbraw/zinc/15/01/97/137150197.db2.gz GUFYLNJIDUDDPY-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP CC[N@@H+](CC(=O)NCC[NH+]1CCOC[C@H]1C)C1CC1 ZINC000343691716 137150198 /nfs/dbraw/zinc/15/01/98/137150198.db2.gz GUFYLNJIDUDDPY-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH+](CC(=O)NCC[N@@H+]1CCOC[C@H]1C)C1CC1 ZINC000343691716 137150199 /nfs/dbraw/zinc/15/01/99/137150199.db2.gz GUFYLNJIDUDDPY-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH+](CC(=O)NCC[N@H+]1CCOC[C@H]1C)C1CC1 ZINC000343691716 137150200 /nfs/dbraw/zinc/15/02/00/137150200.db2.gz GUFYLNJIDUDDPY-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000344164625 137181220 /nfs/dbraw/zinc/18/12/20/137181220.db2.gz DAICJMGBOMVNFA-RDBSUJKOSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000344164625 137181221 /nfs/dbraw/zinc/18/12/21/137181221.db2.gz DAICJMGBOMVNFA-RDBSUJKOSA-N 2 2 283.416 0.554 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000344361814 137190531 /nfs/dbraw/zinc/19/05/31/137190531.db2.gz XOLZKPNDLLVUQO-JTQLQIEISA-N 2 2 250.346 0.725 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000344361814 137190532 /nfs/dbraw/zinc/19/05/32/137190532.db2.gz XOLZKPNDLLVUQO-JTQLQIEISA-N 2 2 250.346 0.725 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000344361814 137190533 /nfs/dbraw/zinc/19/05/33/137190533.db2.gz XOLZKPNDLLVUQO-JTQLQIEISA-N 2 2 250.346 0.725 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000344361814 137190534 /nfs/dbraw/zinc/19/05/34/137190534.db2.gz XOLZKPNDLLVUQO-JTQLQIEISA-N 2 2 250.346 0.725 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]CC1=CCCOC1 ZINC000344222311 137184668 /nfs/dbraw/zinc/18/46/68/137184668.db2.gz XHJJXLWICPZTRU-CYBMUJFWSA-N 2 2 267.373 0.263 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]CC1=CCCOC1 ZINC000344222311 137184669 /nfs/dbraw/zinc/18/46/69/137184669.db2.gz XHJJXLWICPZTRU-CYBMUJFWSA-N 2 2 267.373 0.263 20 0 CCADLP COC[C@](C)([NH2+]CCCn1cc[nH+]c1C)C(=O)OC ZINC000273319053 192111110 /nfs/dbraw/zinc/11/11/10/192111110.db2.gz PASRQSZCGAOKOR-ZDUSSCGKSA-N 2 2 269.345 0.749 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000036999411 348178020 /nfs/dbraw/zinc/17/80/20/348178020.db2.gz SIRKSLRJLZYJCW-JSGCOSHPSA-N 2 2 272.352 0.958 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000037008701 348178645 /nfs/dbraw/zinc/17/86/45/348178645.db2.gz VZQPNFCSORWBFP-JSGCOSHPSA-N 2 2 277.368 0.523 20 0 CCADLP [NH3+]CCC[NH+]1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000037037765 348182429 /nfs/dbraw/zinc/18/24/29/348182429.db2.gz NPSDLDFNEKUVLK-UHFFFAOYSA-N 2 2 263.341 0.499 20 0 CCADLP CC[C@@]1(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CCC[NH2+]1 ZINC000128805594 187391417 /nfs/dbraw/zinc/39/14/17/187391417.db2.gz LZSILAAZTBLHBM-JSGCOSHPSA-N 2 2 269.389 0.356 20 0 CCADLP COC(=O)[C@H](CC(C)C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602875808 362855768 /nfs/dbraw/zinc/85/57/68/362855768.db2.gz APUHGGVFQOOJET-ZFWWWQNUSA-N 2 2 286.416 0.963 20 0 CCADLP COC(=O)[C@H](CC(C)C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602875808 362855772 /nfs/dbraw/zinc/85/57/72/362855772.db2.gz APUHGGVFQOOJET-ZFWWWQNUSA-N 2 2 286.416 0.963 20 0 CCADLP CCOC(=O)CCC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602877464 362858271 /nfs/dbraw/zinc/85/82/71/362858271.db2.gz OXGCLYXPUNCBSV-AWEZNQCLSA-N 2 2 272.389 0.718 20 0 CCADLP CCOC(=O)CCC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602877464 362858273 /nfs/dbraw/zinc/85/82/73/362858273.db2.gz OXGCLYXPUNCBSV-AWEZNQCLSA-N 2 2 272.389 0.718 20 0 CCADLP CC(C)[C@@H](C[NH2+]Cc1csnn1)N1CC[NH+](C)CC1 ZINC000040445391 348234834 /nfs/dbraw/zinc/23/48/34/348234834.db2.gz UJPNXHJASGROKX-CYBMUJFWSA-N 2 2 283.445 0.900 20 0 CCADLP CCC[NH+]1CCC([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000042341563 348275109 /nfs/dbraw/zinc/27/51/09/348275109.db2.gz VXYFVIJUOQACOI-OAHLLOKOSA-N 3 2 269.433 0.907 20 0 CCADLP [NH3+][C@H](CC(F)F)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000345718868 137248169 /nfs/dbraw/zinc/24/81/69/137248169.db2.gz KMIIVXNVLGJWOY-SECBINFHSA-N 2 2 268.267 0.933 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000346296357 137277736 /nfs/dbraw/zinc/27/77/36/137277736.db2.gz VCZRNRXAJPYDPZ-OLZOCXBDSA-N 2 2 269.389 0.295 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1)C(=O)OC ZINC000044530449 348321503 /nfs/dbraw/zinc/32/15/03/348321503.db2.gz ACKLNPUQQMVCFZ-SCRDCRAPSA-N 2 2 299.415 0.361 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCC[C@H](C[NH3+])C1)C(=O)OC ZINC000044530449 348321507 /nfs/dbraw/zinc/32/15/07/348321507.db2.gz ACKLNPUQQMVCFZ-SCRDCRAPSA-N 2 2 299.415 0.361 20 0 CCADLP COCCC[N@H+](CCOC)Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402237 348308151 /nfs/dbraw/zinc/30/81/51/348308151.db2.gz NJQNYPGTVPAYGT-UHFFFAOYSA-N 2 2 286.376 0.748 20 0 CCADLP COCCC[N@@H+](CCOC)Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402237 348308153 /nfs/dbraw/zinc/30/81/53/348308153.db2.gz NJQNYPGTVPAYGT-UHFFFAOYSA-N 2 2 286.376 0.748 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000043588502 348310901 /nfs/dbraw/zinc/31/09/01/348310901.db2.gz VQUIVYDQVHASAK-KBPBESRZSA-N 2 2 283.416 0.603 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cnn(CCOC)c2)C1 ZINC000347004040 137315052 /nfs/dbraw/zinc/31/50/52/137315052.db2.gz MWCFEVHOLASIED-ZDUSSCGKSA-N 2 2 266.389 0.961 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cnn(CCOC)c2)C1 ZINC000347004040 137315053 /nfs/dbraw/zinc/31/50/53/137315053.db2.gz MWCFEVHOLASIED-ZDUSSCGKSA-N 2 2 266.389 0.961 20 0 CCADLP COCC[NH+]1CCC([NH2+]Cc2cnc(C)[nH]c2=O)CC1 ZINC000346801135 137305436 /nfs/dbraw/zinc/30/54/36/137305436.db2.gz RKCOWJATWZNFNX-UHFFFAOYSA-N 2 2 280.372 0.691 20 0 CCADLP NC(=O)C[N@@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000346837202 137307292 /nfs/dbraw/zinc/30/72/92/137307292.db2.gz POHLNISQRAVHHG-AWEZNQCLSA-N 2 2 261.369 0.974 20 0 CCADLP NC(=O)C[N@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000346837202 137307293 /nfs/dbraw/zinc/30/72/93/137307293.db2.gz POHLNISQRAVHHG-AWEZNQCLSA-N 2 2 261.369 0.974 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccnc(N(C)C)n2)C1 ZINC000347175677 137323904 /nfs/dbraw/zinc/32/39/04/137323904.db2.gz QATARLMUARVXQM-LBPRGKRZSA-N 2 2 263.389 0.974 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccnc(N(C)C)n2)C1 ZINC000347175677 137323905 /nfs/dbraw/zinc/32/39/05/137323905.db2.gz QATARLMUARVXQM-LBPRGKRZSA-N 2 2 263.389 0.974 20 0 CCADLP CCC1([NH+](C)C)CC[NH+]([C@H](C)C(=O)NC(N)=O)CC1 ZINC000602967291 362913789 /nfs/dbraw/zinc/91/37/89/362913789.db2.gz FTZCAPKJSFRWMY-SNVBAGLBSA-N 2 2 270.377 0.376 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000684458130 545674977 /nfs/dbraw/zinc/67/49/77/545674977.db2.gz MGAZUPKYEPPZNF-CYBMUJFWSA-N 2 2 278.356 0.275 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC3)CC2)CC1 ZINC000051759698 348493832 /nfs/dbraw/zinc/49/38/32/348493832.db2.gz ULCFZDKJCVZATH-UHFFFAOYSA-N 2 2 280.416 0.960 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCCO)CC2)CC1 ZINC000051758507 348493891 /nfs/dbraw/zinc/49/38/91/348493891.db2.gz KEGNRFBAVLQFFM-UHFFFAOYSA-N 2 2 298.431 0.227 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1CCOCC1 ZINC000058970577 348636099 /nfs/dbraw/zinc/63/60/99/348636099.db2.gz ICGSUBMKQRCQTA-UHFFFAOYSA-N 2 2 297.443 0.897 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1CCOCC1 ZINC000058970577 348636101 /nfs/dbraw/zinc/63/61/01/348636101.db2.gz ICGSUBMKQRCQTA-UHFFFAOYSA-N 2 2 297.443 0.897 20 0 CCADLP Cc1nn(C)c(C)c1C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000068800885 348822016 /nfs/dbraw/zinc/82/20/16/348822016.db2.gz YBQLDTIRPRKPLK-ZDUSSCGKSA-N 2 2 265.405 0.372 20 0 CCADLP Cc1nn(C)c(C)c1C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000068800885 348822019 /nfs/dbraw/zinc/82/20/19/348822019.db2.gz YBQLDTIRPRKPLK-ZDUSSCGKSA-N 2 2 265.405 0.372 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cnc(N(C)C)n1C ZINC000070143526 348873303 /nfs/dbraw/zinc/87/33/03/348873303.db2.gz FWVHKGIVEJRVQS-NSHDSACASA-N 2 2 262.361 0.861 20 0 CCADLP [NH3+]CCCCC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000070202388 348879491 /nfs/dbraw/zinc/87/94/91/348879491.db2.gz KKSNKWAEMRHIMG-UHFFFAOYSA-N 2 2 276.384 0.855 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)Nc1cc[nH+]c(N(C)C)n1 ZINC000077218531 349102596 /nfs/dbraw/zinc/10/25/96/349102596.db2.gz PLCBASGIXZVCHH-GFCCVEGCSA-N 2 2 278.404 0.590 20 0 CCADLP C[C@@H](CN1CC[NH+](C)CC1)Nc1cc[nH+]c(N(C)C)n1 ZINC000077218530 349102806 /nfs/dbraw/zinc/10/28/06/349102806.db2.gz PLCBASGIXZVCHH-LBPRGKRZSA-N 2 2 278.404 0.590 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)NCCC(=O)OC)C1 ZINC000076003540 349063478 /nfs/dbraw/zinc/06/34/78/349063478.db2.gz BKEZCJXBUBARSJ-ZDUSSCGKSA-N 2 2 299.415 0.329 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)NCCC(=O)OC)C1 ZINC000076003540 349063481 /nfs/dbraw/zinc/06/34/81/349063481.db2.gz BKEZCJXBUBARSJ-ZDUSSCGKSA-N 2 2 299.415 0.329 20 0 CCADLP CC[NH+](CC)[C@H]1CCN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000080654355 349224317 /nfs/dbraw/zinc/22/43/17/349224317.db2.gz OZSRLYPLFWHYDV-AWEZNQCLSA-N 2 2 298.431 0.444 20 0 CCADLP CC[NH+]1CCN(C(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000083739311 349310378 /nfs/dbraw/zinc/31/03/78/349310378.db2.gz YUOAZEZWOFTLOF-UHFFFAOYSA-N 2 2 294.403 0.333 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1COCC[NH2+]1)c1cccs1 ZINC000088371675 349363722 /nfs/dbraw/zinc/36/37/22/349363722.db2.gz OOIODXSIDSGUDQ-WDEREUQCSA-N 2 2 283.397 0.455 20 0 CCADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)[C@H]1CCC[NH2+]1 ZINC000120866263 350009686 /nfs/dbraw/zinc/00/96/86/350009686.db2.gz DXNKBFSEVPLWLL-GFCCVEGCSA-N 2 2 271.324 0.636 20 0 CCADLP CN1CC[C@@H]([NH+]2CCC([NH2+]CC3CC3)CC2)C1=O ZINC000123742379 350082274 /nfs/dbraw/zinc/08/22/74/350082274.db2.gz FIFYHFBYSMHKPG-CYBMUJFWSA-N 2 2 251.374 0.681 20 0 CCADLP Cc1cc(N2CCN(C)C[C@@H]2C[NH3+])nc(C(C)C)[nH+]1 ZINC000122810299 350069973 /nfs/dbraw/zinc/06/99/73/350069973.db2.gz LJHFMWKQHJAWJO-LBPRGKRZSA-N 2 2 263.389 0.988 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2cccc(F)c2F)[C@H](C[NH3+])C1 ZINC000124338716 350095333 /nfs/dbraw/zinc/09/53/33/350095333.db2.gz RZJKOXMKNGADLJ-LLVKDONJSA-N 2 2 283.322 0.609 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2cccc(F)c2F)[C@H](C[NH3+])C1 ZINC000124338716 350095335 /nfs/dbraw/zinc/09/53/35/350095335.db2.gz RZJKOXMKNGADLJ-LLVKDONJSA-N 2 2 283.322 0.609 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124356578 350096607 /nfs/dbraw/zinc/09/66/07/350096607.db2.gz ZFFNDJODBJTBFC-NSHDSACASA-N 2 2 281.360 0.439 20 0 CCADLP [NH3+]CCc1nc(C(=O)NCCCn2cc[nH+]c2)cs1 ZINC000090946576 180070201 /nfs/dbraw/zinc/07/02/01/180070201.db2.gz NMZKNEYFQNOVHX-UHFFFAOYSA-N 2 2 279.369 0.661 20 0 CCADLP O=C(C[C@H]1C[NH2+]CCO1)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000091300029 180126923 /nfs/dbraw/zinc/12/69/23/180126923.db2.gz KLJNEGPPMHSFIN-LBPRGKRZSA-N 2 2 287.323 0.584 20 0 CCADLP C[C@@H]1C[C@@H](NCCC[NH+]2CCOCC2)C[N@@H+]1C1CC1 ZINC000128114070 350185776 /nfs/dbraw/zinc/18/57/76/350185776.db2.gz KEQPTDIUSZPUQS-ZIAGYGMSSA-N 2 2 267.417 0.924 20 0 CCADLP C[C@@H]1C[C@@H](NCCC[NH+]2CCOCC2)C[N@H+]1C1CC1 ZINC000128114070 350185778 /nfs/dbraw/zinc/18/57/78/350185778.db2.gz KEQPTDIUSZPUQS-ZIAGYGMSSA-N 2 2 267.417 0.924 20 0 CCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129680896 350220572 /nfs/dbraw/zinc/22/05/72/350220572.db2.gz VMYQRDYTOCMKII-LSDHHAIUSA-N 2 2 297.443 0.897 20 0 CCADLP CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129305344 350211135 /nfs/dbraw/zinc/21/11/35/350211135.db2.gz FTXHSFZYBUEBGP-ZIAGYGMSSA-N 2 2 283.416 0.555 20 0 CCADLP CCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129305344 350211139 /nfs/dbraw/zinc/21/11/39/350211139.db2.gz FTXHSFZYBUEBGP-ZIAGYGMSSA-N 2 2 283.416 0.555 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@](C)([NH3+])c2ccccc2)C1 ZINC000091669735 180224096 /nfs/dbraw/zinc/22/40/96/180224096.db2.gz UDORJJNAVKIOSN-HIFRSBDPSA-N 2 2 277.368 0.307 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@](C)([NH3+])c2ccccc2)C1 ZINC000091669735 180224099 /nfs/dbraw/zinc/22/40/99/180224099.db2.gz UDORJJNAVKIOSN-HIFRSBDPSA-N 2 2 277.368 0.307 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)[C@@H]([NH3+])c1ccccc1 ZINC000130543303 350239799 /nfs/dbraw/zinc/23/97/99/350239799.db2.gz QITZKONUWAJBSG-NWANDNLSSA-N 2 2 291.395 0.769 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)[C@@H]([NH3+])c1ccccc1 ZINC000130543303 350239801 /nfs/dbraw/zinc/23/98/01/350239801.db2.gz QITZKONUWAJBSG-NWANDNLSSA-N 2 2 291.395 0.769 20 0 CCADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1nnnn1-c1ccccc1 ZINC000131773190 350286622 /nfs/dbraw/zinc/28/66/22/350286622.db2.gz VAFFVECZGOMIPA-RYUDHWBXSA-N 2 2 272.356 0.831 20 0 CCADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1nnnn1-c1ccccc1 ZINC000131773190 350286624 /nfs/dbraw/zinc/28/66/24/350286624.db2.gz VAFFVECZGOMIPA-RYUDHWBXSA-N 2 2 272.356 0.831 20 0 CCADLP CC[C@]1(C(=O)NC[C@H](C)[NH+]2CCOCC2)CCC[NH2+]1 ZINC000134568267 350369061 /nfs/dbraw/zinc/36/90/61/350369061.db2.gz VNWSZRZUBMNCKB-GXTWGEPZSA-N 2 2 269.389 0.356 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@@]2(CC)CCC[NH2+]2)CC1 ZINC000134561938 350369435 /nfs/dbraw/zinc/36/94/35/350369435.db2.gz WSDDUXKNYKKINK-OAHLLOKOSA-N 2 2 283.416 0.699 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000136084672 350414160 /nfs/dbraw/zinc/41/41/60/350414160.db2.gz ZXUUDHFZYSRMPR-RYUDHWBXSA-N 2 2 250.346 0.854 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000136084672 350414162 /nfs/dbraw/zinc/41/41/62/350414162.db2.gz ZXUUDHFZYSRMPR-RYUDHWBXSA-N 2 2 250.346 0.854 20 0 CCADLP CC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000141645310 350454319 /nfs/dbraw/zinc/45/43/19/350454319.db2.gz RQKXYGNVEMMPOD-ZDUSSCGKSA-N 2 2 267.373 0.204 20 0 CCADLP CC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000141645310 350454322 /nfs/dbraw/zinc/45/43/22/350454322.db2.gz RQKXYGNVEMMPOD-ZDUSSCGKSA-N 2 2 267.373 0.204 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCSC1 ZINC000152880953 350544981 /nfs/dbraw/zinc/54/49/81/350544981.db2.gz KHJSJBWIUAQVHJ-LLVKDONJSA-N 2 2 257.403 0.198 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCSC1 ZINC000152880953 350544983 /nfs/dbraw/zinc/54/49/83/350544983.db2.gz KHJSJBWIUAQVHJ-LLVKDONJSA-N 2 2 257.403 0.198 20 0 CCADLP C[C@H](C[NH2+][C@H](C)[C@@H]1CCOC1)C[NH+]1CCOCC1 ZINC000153148222 350554354 /nfs/dbraw/zinc/55/43/54/350554354.db2.gz HWKYUVUBGJSEOV-MGPQQGTHSA-N 2 2 256.390 0.969 20 0 CCADLP CCOCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154333228 350583912 /nfs/dbraw/zinc/58/39/12/350583912.db2.gz UBNYAINZWILAIQ-YIONKMFJSA-N 2 2 295.427 0.792 20 0 CCADLP CCOCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154333228 350583915 /nfs/dbraw/zinc/58/39/15/350583915.db2.gz UBNYAINZWILAIQ-YIONKMFJSA-N 2 2 295.427 0.792 20 0 CCADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)NC(=O)NC1CC1 ZINC000109794175 186272126 /nfs/dbraw/zinc/27/21/26/186272126.db2.gz DQBCJIKJOHGOHF-UHFFFAOYSA-N 2 2 291.355 0.508 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109792835 186271399 /nfs/dbraw/zinc/27/13/99/186271399.db2.gz HXKBHYOOROACIV-VIFPVBQESA-N 2 2 265.317 0.103 20 0 CCADLP CS(=O)(=O)NCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157324333 350643017 /nfs/dbraw/zinc/64/30/17/350643017.db2.gz KVSXNKHCCISYAH-CYBMUJFWSA-N 2 2 289.445 0.486 20 0 CCADLP CS(=O)(=O)NCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157324333 350643018 /nfs/dbraw/zinc/64/30/18/350643018.db2.gz KVSXNKHCCISYAH-CYBMUJFWSA-N 2 2 289.445 0.486 20 0 CCADLP CC[NH+]1CCC([N@H+](C)Cc2cc(=O)n3[nH]ccc3n2)CC1 ZINC000157420872 350644265 /nfs/dbraw/zinc/64/42/65/350644265.db2.gz JNDAQTSAGGMGIK-UHFFFAOYSA-N 2 2 289.383 0.939 20 0 CCADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(=O)n3[nH]ccc3n2)CC1 ZINC000157420872 350644267 /nfs/dbraw/zinc/64/42/67/350644267.db2.gz JNDAQTSAGGMGIK-UHFFFAOYSA-N 2 2 289.383 0.939 20 0 CCADLP COC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000156194813 350627444 /nfs/dbraw/zinc/62/74/44/350627444.db2.gz OZWKKTKXZDCLIK-WCQYABFASA-N 2 2 297.399 0.210 20 0 CCADLP COC(=O)C1CCN(C(=O)C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000156194813 350627445 /nfs/dbraw/zinc/62/74/45/350627445.db2.gz OZWKKTKXZDCLIK-WCQYABFASA-N 2 2 297.399 0.210 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)N1CC[NH+](C2CC2)CC1 ZINC000158373613 350658556 /nfs/dbraw/zinc/65/85/56/350658556.db2.gz PRAATRGRMVTJAZ-UHFFFAOYSA-N 2 2 277.372 0.763 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000163230693 350762528 /nfs/dbraw/zinc/76/25/28/350762528.db2.gz SQAOEQMAZVPPHI-UWVGGRQHSA-N 2 2 270.377 0.280 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000163230693 350762532 /nfs/dbraw/zinc/76/25/32/350762532.db2.gz SQAOEQMAZVPPHI-UWVGGRQHSA-N 2 2 270.377 0.280 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000164801978 350782760 /nfs/dbraw/zinc/78/27/60/350782760.db2.gz YCTKBDDHRWULNE-NSHDSACASA-N 2 2 273.340 0.739 20 0 CCADLP COC1(C(=O)NCCCNc2cccc[nH+]2)CC[NH2+]CC1 ZINC000165241568 350788673 /nfs/dbraw/zinc/78/86/73/350788673.db2.gz QIVSDWXNQWGIBM-UHFFFAOYSA-N 2 2 292.383 0.768 20 0 CCADLP CCOC(=O)C[C@@H](O)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000166987328 350804026 /nfs/dbraw/zinc/80/40/26/350804026.db2.gz SYSYUNDHYNPMFU-CYBMUJFWSA-N 2 2 272.389 0.717 20 0 CCADLP CCOC(=O)C[C@@H](O)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000166987328 350804028 /nfs/dbraw/zinc/80/40/28/350804028.db2.gz SYSYUNDHYNPMFU-CYBMUJFWSA-N 2 2 272.389 0.717 20 0 CCADLP O=C(C[NH2+]CC1CC1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000167320370 350808893 /nfs/dbraw/zinc/80/88/93/350808893.db2.gz ZKZRMUUPCRARTE-HNNXBMFYSA-N 2 2 295.427 0.699 20 0 CCADLP C[NH+](C)CC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000170751112 350856875 /nfs/dbraw/zinc/85/68/75/350856875.db2.gz PRZVMXPATFLUTP-UHFFFAOYSA-N 2 2 262.357 0.860 20 0 CCADLP C[NH+](C)CC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000170752671 350857031 /nfs/dbraw/zinc/85/70/31/350857031.db2.gz IIHRNFHUMQKYRJ-UHFFFAOYSA-N 2 2 261.369 0.723 20 0 CCADLP C[NH+](C)CC(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000170752671 350857032 /nfs/dbraw/zinc/85/70/32/350857032.db2.gz IIHRNFHUMQKYRJ-UHFFFAOYSA-N 2 2 261.369 0.723 20 0 CCADLP O=C1CCC(=O)N1CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111243927 186376021 /nfs/dbraw/zinc/37/60/21/186376021.db2.gz TWIQYWSAYWUJQV-UHFFFAOYSA-N 2 2 276.340 0.669 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000171200513 350893091 /nfs/dbraw/zinc/89/30/91/350893091.db2.gz SOOOHEMOSARJPM-UHFFFAOYSA-N 2 2 275.396 0.935 20 0 CCADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)N1CCNC1=O ZINC000173590201 351047280 /nfs/dbraw/zinc/04/72/80/351047280.db2.gz BNBIROJENJYMNA-CYBMUJFWSA-N 2 2 294.399 0.346 20 0 CCADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)N1CCNC1=O ZINC000173590201 351047284 /nfs/dbraw/zinc/04/72/84/351047284.db2.gz BNBIROJENJYMNA-CYBMUJFWSA-N 2 2 294.399 0.346 20 0 CCADLP CN(C)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173869396 351059217 /nfs/dbraw/zinc/05/92/17/351059217.db2.gz HEHBFECEOIXBDX-CYBMUJFWSA-N 2 2 253.390 0.882 20 0 CCADLP CN(C)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173869396 351059222 /nfs/dbraw/zinc/05/92/22/351059222.db2.gz HEHBFECEOIXBDX-CYBMUJFWSA-N 2 2 253.390 0.882 20 0 CCADLP CCC[N@H+](CC)CCNC(=O)NCC[NH+]1CCOCC1 ZINC000175154103 351120749 /nfs/dbraw/zinc/12/07/49/351120749.db2.gz FFFQPGRFUMXOBN-UHFFFAOYSA-N 2 2 286.420 0.350 20 0 CCADLP CCC[N@@H+](CC)CCNC(=O)NCC[NH+]1CCOCC1 ZINC000175154103 351120751 /nfs/dbraw/zinc/12/07/51/351120751.db2.gz FFFQPGRFUMXOBN-UHFFFAOYSA-N 2 2 286.420 0.350 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NCCCOC)C1 ZINC000177034296 351192113 /nfs/dbraw/zinc/19/21/13/351192113.db2.gz QSSDVVBHGFGEPF-AWEZNQCLSA-N 2 2 285.432 0.803 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NCCCOC)C1 ZINC000177034296 351192116 /nfs/dbraw/zinc/19/21/16/351192116.db2.gz QSSDVVBHGFGEPF-AWEZNQCLSA-N 2 2 285.432 0.803 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCCCOC)C1 ZINC000177034296 351192119 /nfs/dbraw/zinc/19/21/19/351192119.db2.gz QSSDVVBHGFGEPF-AWEZNQCLSA-N 2 2 285.432 0.803 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCCCOC)C1 ZINC000177034296 351192121 /nfs/dbraw/zinc/19/21/21/351192121.db2.gz QSSDVVBHGFGEPF-AWEZNQCLSA-N 2 2 285.432 0.803 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CCCOC2)CC1 ZINC000177133643 351194956 /nfs/dbraw/zinc/19/49/56/351194956.db2.gz KMAIFCIWUQSECP-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000178905773 351252455 /nfs/dbraw/zinc/25/24/55/351252455.db2.gz XXXXJLJWJOJMIB-RBSFLKMASA-N 2 2 295.427 0.698 20 0 CCADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000177839038 351214160 /nfs/dbraw/zinc/21/41/60/351214160.db2.gz DTDKQDBIRWALET-KGLIPLIRSA-N 2 2 283.416 0.555 20 0 CCADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000177839038 351214162 /nfs/dbraw/zinc/21/41/62/351214162.db2.gz DTDKQDBIRWALET-KGLIPLIRSA-N 2 2 283.416 0.555 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000177839038 351214165 /nfs/dbraw/zinc/21/41/65/351214165.db2.gz DTDKQDBIRWALET-KGLIPLIRSA-N 2 2 283.416 0.555 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000177839038 351214167 /nfs/dbraw/zinc/21/41/67/351214167.db2.gz DTDKQDBIRWALET-KGLIPLIRSA-N 2 2 283.416 0.555 20 0 CCADLP Cc1ccccc1[C@@H](CO)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000541051164 290923433 /nfs/dbraw/zinc/92/34/33/290923433.db2.gz FILWDABHVBXPOP-OAHLLOKOSA-N 2 2 291.395 0.392 20 0 CCADLP CC(C)[C@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181044442 351301135 /nfs/dbraw/zinc/30/11/35/351301135.db2.gz XRKWHELNPNLXLN-UONOGXRCSA-N 2 2 283.416 0.554 20 0 CCADLP CN(C)c1ccc(Cn2cc(CSCC[NH3+])nn2)c[nH+]1 ZINC000603255893 363026088 /nfs/dbraw/zinc/02/60/88/363026088.db2.gz JNJLDKMHESDZKT-UHFFFAOYSA-N 2 2 292.412 0.979 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000186729551 351509978 /nfs/dbraw/zinc/50/99/78/351509978.db2.gz QAYJLKGUGYQBHT-AAEUAGOBSA-N 2 2 285.351 0.995 20 0 CCADLP C[C@@H](C(=O)N1CCC(C[NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000339813580 215348878 /nfs/dbraw/zinc/34/88/78/215348878.db2.gz NQSZMHTYLBKWDU-ZDUSSCGKSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@@H](C(=O)NCCCC[NH+](C)C)[NH+]1CCOCC1 ZINC000339813576 215348980 /nfs/dbraw/zinc/34/89/80/215348980.db2.gz NOHKLHOLEYVESH-LBPRGKRZSA-N 2 2 257.378 0.165 20 0 CCADLP CC[N@H+](C)CCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000603307107 363057621 /nfs/dbraw/zinc/05/76/21/363057621.db2.gz POEPGAZGZWYTOU-UHFFFAOYSA-N 2 2 274.328 0.344 20 0 CCADLP CC[N@@H+](C)CCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000603307107 363057623 /nfs/dbraw/zinc/05/76/23/363057623.db2.gz POEPGAZGZWYTOU-UHFFFAOYSA-N 2 2 274.328 0.344 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccn(C)n1 ZINC000603292275 363049985 /nfs/dbraw/zinc/04/99/85/363049985.db2.gz KHLFIWRGMFGDHP-UHFFFAOYSA-N 2 2 293.415 0.518 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccn(C)n1 ZINC000603292275 363049986 /nfs/dbraw/zinc/04/99/86/363049986.db2.gz KHLFIWRGMFGDHP-UHFFFAOYSA-N 2 2 293.415 0.518 20 0 CCADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188182125 351577697 /nfs/dbraw/zinc/57/76/97/351577697.db2.gz HDNYFHCWYSUOME-QWHCGFSZSA-N 2 2 292.358 0.998 20 0 CCADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000655408702 412560501 /nfs/dbraw/zinc/56/05/01/412560501.db2.gz ZAZMXJGYGHZEMQ-SGMGOOAPSA-N 2 2 276.384 0.902 20 0 CCADLP CC[NH+]1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000193209199 351816595 /nfs/dbraw/zinc/81/65/95/351816595.db2.gz ZNPUZZXVMNOFRL-UHFFFAOYSA-N 2 2 251.334 0.230 20 0 CCADLP CO[C@H](C[NH3+])C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000227363017 352047395 /nfs/dbraw/zinc/04/73/95/352047395.db2.gz VEPJLAUMNNFPPN-GFCCVEGCSA-N 2 2 283.397 0.366 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000226034209 352018775 /nfs/dbraw/zinc/01/87/75/352018775.db2.gz VVFIQVKRKOMRFD-RYUDHWBXSA-N 2 2 284.404 0.672 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000226034209 352018777 /nfs/dbraw/zinc/01/87/77/352018777.db2.gz VVFIQVKRKOMRFD-RYUDHWBXSA-N 2 2 284.404 0.672 20 0 CCADLP COC(=O)c1ccc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000226617205 352031139 /nfs/dbraw/zinc/03/11/39/352031139.db2.gz VRNHWFFDOQQQNH-AWEZNQCLSA-N 2 2 277.368 0.548 20 0 CCADLP COC(=O)c1ccc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000226617205 352031142 /nfs/dbraw/zinc/03/11/42/352031142.db2.gz VRNHWFFDOQQQNH-AWEZNQCLSA-N 2 2 277.368 0.548 20 0 CCADLP CC(C)NC(=O)[C@@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000228928427 352086344 /nfs/dbraw/zinc/08/63/44/352086344.db2.gz IFCDUQJNHHFMOT-SNVBAGLBSA-N 2 2 267.377 0.489 20 0 CCADLP C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000229330022 352089331 /nfs/dbraw/zinc/08/93/31/352089331.db2.gz VSKBNPLPQWKLCJ-BDAKNGLRSA-N 2 2 267.295 0.724 20 0 CCADLP C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000229330022 352089336 /nfs/dbraw/zinc/08/93/36/352089336.db2.gz VSKBNPLPQWKLCJ-BDAKNGLRSA-N 2 2 267.295 0.724 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000235114691 352180432 /nfs/dbraw/zinc/18/04/32/352180432.db2.gz GYQVDYWJKXDTFC-STQMWFEESA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC[NH2+]1 ZINC000235378592 352183381 /nfs/dbraw/zinc/18/33/81/352183381.db2.gz GKIHIGWENHWGFE-HZSPNIEDSA-N 2 2 281.400 0.308 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000237083294 352242395 /nfs/dbraw/zinc/24/23/95/352242395.db2.gz CSDRORGGUPXSMJ-KGLIPLIRSA-N 3 2 296.459 0.646 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@H]1CSC[NH2+]1 ZINC000237066351 352240368 /nfs/dbraw/zinc/24/03/68/352240368.db2.gz PIMSPLMRDZGDEL-SNVBAGLBSA-N 2 2 266.370 0.426 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000604171536 363179668 /nfs/dbraw/zinc/17/96/68/363179668.db2.gz RCNJTJBTSAADNI-STQMWFEESA-N 2 2 296.415 0.243 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000604171536 363179673 /nfs/dbraw/zinc/17/96/73/363179673.db2.gz RCNJTJBTSAADNI-STQMWFEESA-N 2 2 296.415 0.243 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000604192328 363180975 /nfs/dbraw/zinc/18/09/75/363180975.db2.gz XTWAHNVGQNJYDC-OLZOCXBDSA-N 2 2 296.415 0.243 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000604192328 363180983 /nfs/dbraw/zinc/18/09/83/363180983.db2.gz XTWAHNVGQNJYDC-OLZOCXBDSA-N 2 2 296.415 0.243 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000604192328 363180988 /nfs/dbraw/zinc/18/09/88/363180988.db2.gz XTWAHNVGQNJYDC-OLZOCXBDSA-N 2 2 296.415 0.243 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000604192328 363180995 /nfs/dbraw/zinc/18/09/95/363180995.db2.gz XTWAHNVGQNJYDC-OLZOCXBDSA-N 2 2 296.415 0.243 20 0 CCADLP C[C@@H]1CCN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604208704 363182421 /nfs/dbraw/zinc/18/24/21/363182421.db2.gz LKNPVHZRIBCVLE-CHWSQXEVSA-N 2 2 280.416 0.959 20 0 CCADLP C[C@@H]1CCN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604208704 363182423 /nfs/dbraw/zinc/18/24/23/363182423.db2.gz LKNPVHZRIBCVLE-CHWSQXEVSA-N 2 2 280.416 0.959 20 0 CCADLP CCN(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604207920 363183172 /nfs/dbraw/zinc/18/31/72/363183172.db2.gz AWZGFLDBQNZTNV-GFCCVEGCSA-N 2 2 268.405 0.816 20 0 CCADLP CCN(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604207920 363183178 /nfs/dbraw/zinc/18/31/78/363183178.db2.gz AWZGFLDBQNZTNV-GFCCVEGCSA-N 2 2 268.405 0.816 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC[C@@H]1[NH3+] ZINC000655418022 412564172 /nfs/dbraw/zinc/56/41/72/412564172.db2.gz NCKKJZKUVXKJIK-WOPDTQHZSA-N 2 2 262.357 0.641 20 0 CCADLP COC(=O)CNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245611771 352330793 /nfs/dbraw/zinc/33/07/93/352330793.db2.gz OFAUVPKSJQZZFI-VXGBXAGGSA-N 2 2 294.355 0.055 20 0 CCADLP COC(=O)CNC(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245611771 352330799 /nfs/dbraw/zinc/33/07/99/352330799.db2.gz OFAUVPKSJQZZFI-VXGBXAGGSA-N 2 2 294.355 0.055 20 0 CCADLP CC1(C)C[NH2+]CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655417030 412563981 /nfs/dbraw/zinc/56/39/81/412563981.db2.gz DSSQWSBJBRFLRD-LLVKDONJSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCn1cc[nH+]c1 ZINC000246413579 352365657 /nfs/dbraw/zinc/36/56/57/352365657.db2.gz VBEQAMLAYJUEEH-QWHCGFSZSA-N 2 2 279.388 0.865 20 0 CCADLP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCCn1cc[nH+]c1 ZINC000246413579 352365661 /nfs/dbraw/zinc/36/56/61/352365661.db2.gz VBEQAMLAYJUEEH-QWHCGFSZSA-N 2 2 279.388 0.865 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246957384 352390496 /nfs/dbraw/zinc/39/04/96/352390496.db2.gz OETDIVBXHZTSAG-KGLIPLIRSA-N 2 2 285.432 0.801 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246957384 352390498 /nfs/dbraw/zinc/39/04/98/352390498.db2.gz OETDIVBXHZTSAG-KGLIPLIRSA-N 2 2 285.432 0.801 20 0 CCADLP COCCCNC(=O)[C@@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246957384 352390502 /nfs/dbraw/zinc/39/05/02/352390502.db2.gz OETDIVBXHZTSAG-KGLIPLIRSA-N 2 2 285.432 0.801 20 0 CCADLP COCCCNC(=O)[C@@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246957384 352390504 /nfs/dbraw/zinc/39/05/04/352390504.db2.gz OETDIVBXHZTSAG-KGLIPLIRSA-N 2 2 285.432 0.801 20 0 CCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCCC[NH3+])CC1 ZINC000418316873 234067342 /nfs/dbraw/zinc/06/73/42/234067342.db2.gz XKIWWGGFZOHDCB-ZDUSSCGKSA-N 2 2 291.399 0.819 20 0 CCADLP CCCNC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247961888 352427726 /nfs/dbraw/zinc/42/77/26/352427726.db2.gz GIDODLZQVMZDDO-STQMWFEESA-N 2 2 253.390 0.929 20 0 CCADLP CCCNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247961888 352427730 /nfs/dbraw/zinc/42/77/30/352427730.db2.gz GIDODLZQVMZDDO-STQMWFEESA-N 2 2 253.390 0.929 20 0 CCADLP CCCNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247961888 352427733 /nfs/dbraw/zinc/42/77/33/352427733.db2.gz GIDODLZQVMZDDO-STQMWFEESA-N 2 2 253.390 0.929 20 0 CCADLP CCCNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247961888 352427739 /nfs/dbraw/zinc/42/77/39/352427739.db2.gz GIDODLZQVMZDDO-STQMWFEESA-N 2 2 253.390 0.929 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@]2(C)CCCC[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000248400739 352439376 /nfs/dbraw/zinc/43/93/76/352439376.db2.gz LCWLAKVHYABLRV-IJEWVQPXSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)c2coc(C[NH3+])c2)C[C@H]1C ZINC000249074524 352476545 /nfs/dbraw/zinc/47/65/45/352476545.db2.gz NGHPMUVGPYQFMV-MNOVXSKESA-N 2 2 281.356 0.265 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)c2coc(C[NH3+])c2)C[C@H]1C ZINC000249074524 352476550 /nfs/dbraw/zinc/47/65/50/352476550.db2.gz NGHPMUVGPYQFMV-MNOVXSKESA-N 2 2 281.356 0.265 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292065485 198149796 /nfs/dbraw/zinc/14/97/96/198149796.db2.gz CIXDDIPHMSXJNN-LBPRGKRZSA-N 2 2 286.401 0.239 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292065485 198149797 /nfs/dbraw/zinc/14/97/97/198149797.db2.gz CIXDDIPHMSXJNN-LBPRGKRZSA-N 2 2 286.401 0.239 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)NC(=O)NCC(C)C)CC[C@H]1[NH3+] ZINC000251791845 352511800 /nfs/dbraw/zinc/51/18/00/352511800.db2.gz NPPHJZBJEZYKAW-VXGBXAGGSA-N 2 2 284.404 0.527 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)NC(=O)NCC(C)C)CC[C@H]1[NH3+] ZINC000251791845 352511803 /nfs/dbraw/zinc/51/18/03/352511803.db2.gz NPPHJZBJEZYKAW-VXGBXAGGSA-N 2 2 284.404 0.527 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)[C@H]2CCC[N@@H+]2C)n1C ZINC000265090023 352618168 /nfs/dbraw/zinc/61/81/68/352618168.db2.gz CLNDDBWNUMTXRU-LLVKDONJSA-N 2 2 265.361 0.197 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)[C@H]2CCC[N@H+]2C)n1C ZINC000265090023 352618170 /nfs/dbraw/zinc/61/81/70/352618170.db2.gz CLNDDBWNUMTXRU-LLVKDONJSA-N 2 2 265.361 0.197 20 0 CCADLP C[C@H](C[NH3+])NC(=O)NCCCCNc1cccc[nH+]1 ZINC000418518712 234150209 /nfs/dbraw/zinc/15/02/09/234150209.db2.gz YNHJAJDILZKXPN-LLVKDONJSA-N 2 2 265.361 0.920 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266732259 352717405 /nfs/dbraw/zinc/71/74/05/352717405.db2.gz JVFMIVPSGCGDKD-JTQLQIEISA-N 2 2 294.355 0.267 20 0 CCADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@H](C)C[NH3+])CC1 ZINC000418526758 234154472 /nfs/dbraw/zinc/15/44/72/234154472.db2.gz QANSSWINHPKHAF-GFCCVEGCSA-N 2 2 277.372 0.569 20 0 CCADLP Cc1noc(CCC[NH+]2CCN(c3[nH+]ccn3C)CC2)n1 ZINC000270556580 352947840 /nfs/dbraw/zinc/94/78/40/352947840.db2.gz WCMIFPIRRJGXTJ-UHFFFAOYSA-N 2 2 290.371 0.866 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000270622944 352958259 /nfs/dbraw/zinc/95/82/59/352958259.db2.gz DQYKXXXPBURVEQ-UHFFFAOYSA-N 2 2 286.401 0.159 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000270622944 352958262 /nfs/dbraw/zinc/95/82/62/352958262.db2.gz DQYKXXXPBURVEQ-UHFFFAOYSA-N 2 2 286.401 0.159 20 0 CCADLP CCN(CC)C(=O)C[N@H+](C)CCn1cc[nH+]c1C ZINC000270641402 352961455 /nfs/dbraw/zinc/96/14/55/352961455.db2.gz JEIQYIXXGHESGU-UHFFFAOYSA-N 2 2 252.362 0.992 20 0 CCADLP CCN(CC)C(=O)C[N@@H+](C)CCn1cc[nH+]c1C ZINC000270641402 352961460 /nfs/dbraw/zinc/96/14/60/352961460.db2.gz JEIQYIXXGHESGU-UHFFFAOYSA-N 2 2 252.362 0.992 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCN(C(C)C)C(=O)C1 ZINC000272572465 353075714 /nfs/dbraw/zinc/07/57/14/353075714.db2.gz NDIMRJKKGJVDFP-UHFFFAOYSA-N 2 2 250.346 0.744 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000272572465 353075718 /nfs/dbraw/zinc/07/57/18/353075718.db2.gz NDIMRJKKGJVDFP-UHFFFAOYSA-N 2 2 250.346 0.744 20 0 CCADLP C[NH+](C)C1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000272353146 353055457 /nfs/dbraw/zinc/05/54/57/353055457.db2.gz QZPLGTXAZDOCKQ-UHFFFAOYSA-N 2 2 271.324 0.653 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655445079 412573012 /nfs/dbraw/zinc/57/30/12/412573012.db2.gz HSPOGRHQBKDEJJ-YRGRVCCFSA-N 2 2 262.357 0.778 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000275114547 353186507 /nfs/dbraw/zinc/18/65/07/353186507.db2.gz SKEOBEOFGFASOQ-OLZOCXBDSA-N 2 2 279.388 0.865 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655449573 412574604 /nfs/dbraw/zinc/57/46/04/412574604.db2.gz JGRZMALKKIWBQL-IJEWVQPXSA-N 2 2 294.443 0.128 20 0 CCADLP c1nc(NCC[NH+]2CCCC2)cc(N2CCOCC2)[nH+]1 ZINC000277385756 353240510 /nfs/dbraw/zinc/24/05/10/353240510.db2.gz IPBZOUXWYYQCEP-UHFFFAOYSA-N 2 2 277.372 0.821 20 0 CCADLP Cc1ccc(NC(=O)C(=O)NCC[NH+](C)C)c(C)[nH+]1 ZINC000155350975 188200899 /nfs/dbraw/zinc/20/08/99/188200899.db2.gz XVTORXRJEHRRQK-UHFFFAOYSA-N 2 2 264.329 0.315 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000280080413 353336825 /nfs/dbraw/zinc/33/68/25/353336825.db2.gz JHZHALKRNGDQMN-NSHDSACASA-N 2 2 250.346 0.563 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000280080413 353336828 /nfs/dbraw/zinc/33/68/28/353336828.db2.gz JHZHALKRNGDQMN-NSHDSACASA-N 2 2 250.346 0.563 20 0 CCADLP Cc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)nn1C ZINC000282374161 353418447 /nfs/dbraw/zinc/41/84/47/353418447.db2.gz WTPLLZPVIVMYHI-JSGCOSHPSA-N 2 2 293.415 0.719 20 0 CCADLP Cc1cc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)nn1C ZINC000282374161 353418450 /nfs/dbraw/zinc/41/84/50/353418450.db2.gz WTPLLZPVIVMYHI-JSGCOSHPSA-N 2 2 293.415 0.719 20 0 CCADLP C[C@@H]([NH2+]Cc1c[nH+]ccc1N(C)C)C(=O)NCCF ZINC000282695924 353445273 /nfs/dbraw/zinc/44/52/73/353445273.db2.gz OLZXEIWQYZLTEH-SNVBAGLBSA-N 2 2 268.336 0.711 20 0 CCADLP Cc1cc(N)nc(SCCC(=O)N2CC[NH+](C)CC2)[nH+]1 ZINC000283029203 353474652 /nfs/dbraw/zinc/47/46/52/353474652.db2.gz MTMNXYDHNCNFSQ-UHFFFAOYSA-N 2 2 295.412 0.623 20 0 CCADLP COCC[N@@H+](C)CCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000283530888 353513944 /nfs/dbraw/zinc/51/39/44/353513944.db2.gz RLHZSRFLBVFAPE-SNAWJCMRSA-N 2 2 266.345 0.507 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000290082598 353706485 /nfs/dbraw/zinc/70/64/85/353706485.db2.gz WGZAQFMAVQMXLS-NEPJUHHUSA-N 2 2 250.346 0.778 20 0 CCADLP Cn1cc(N2CC[NH+](CCc3c[nH+]cn3C)CC2)cn1 ZINC000290143950 353711073 /nfs/dbraw/zinc/71/10/73/353711073.db2.gz VZQILTZJTOXFIL-UHFFFAOYSA-N 2 2 274.372 0.518 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000290900602 353756720 /nfs/dbraw/zinc/75/67/20/353756720.db2.gz CIKICGUFLVVISW-GFCCVEGCSA-N 2 2 293.371 0.129 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000290900602 353756723 /nfs/dbraw/zinc/75/67/23/353756723.db2.gz CIKICGUFLVVISW-GFCCVEGCSA-N 2 2 293.371 0.129 20 0 CCADLP CC1CC[NH+](CC(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC000291162654 353771279 /nfs/dbraw/zinc/77/12/79/353771279.db2.gz QVPGMZOBINKVNY-UHFFFAOYSA-N 2 2 262.357 0.957 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)Nc1ccnn1CC[NH+](C)C ZINC000294090015 353867555 /nfs/dbraw/zinc/86/75/55/353867555.db2.gz NVBQGRSTUMXFOC-UHFFFAOYSA-N 2 2 276.344 0.657 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[NH+](C3CC3)CC2)nc[nH+]1 ZINC000294563446 353889563 /nfs/dbraw/zinc/88/95/63/353889563.db2.gz XISLRJGJSRYZRF-NSHDSACASA-N 2 2 277.372 0.554 20 0 CCADLP CC[NH+]1CCN(c2cc(NC[C@H](C)O)[nH+]cn2)CC1 ZINC000294524798 353889828 /nfs/dbraw/zinc/88/98/28/353889828.db2.gz UTWJEFZUGDTSQJ-NSHDSACASA-N 2 2 265.361 0.411 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000295254904 353891838 /nfs/dbraw/zinc/89/18/38/353891838.db2.gz QQTVMIQCTWBAKD-ZDUSSCGKSA-N 2 2 291.399 0.057 20 0 CCADLP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)C[NH+](C)C ZINC000293835814 353844117 /nfs/dbraw/zinc/84/41/17/353844117.db2.gz DBWHULKRCAJAEI-NSHDSACASA-N 2 2 252.362 0.667 20 0 CCADLP COc1nccc(C[NH2+]C[C@H](C)C[NH+]2CCOCC2)n1 ZINC000295622785 353907954 /nfs/dbraw/zinc/90/79/54/353907954.db2.gz HBQNYTNGRDBGPU-LBPRGKRZSA-N 2 2 280.372 0.543 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000299500144 354022602 /nfs/dbraw/zinc/02/26/02/354022602.db2.gz QBAJQENKYACVNQ-LBPRGKRZSA-N 2 2 295.387 0.211 20 0 CCADLP C[C@H](NC(=O)NCC[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000606611641 363296535 /nfs/dbraw/zinc/29/65/35/363296535.db2.gz WAVZZQANESLBPO-ZDUSSCGKSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@@H]1C[C@H](C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC[NH2+]1 ZINC000300195261 354059755 /nfs/dbraw/zinc/05/97/55/354059755.db2.gz GKIHIGWENHWGFE-MGPQQGTHSA-N 2 2 281.400 0.308 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H](O)CN1CCCC1=O ZINC000305709324 354152506 /nfs/dbraw/zinc/15/25/06/354152506.db2.gz ZRBLYYSSGNBCMU-ZDUSSCGKSA-N 2 2 280.372 0.188 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H](O)CN1CCCC1=O ZINC000305709324 354152510 /nfs/dbraw/zinc/15/25/10/354152510.db2.gz ZRBLYYSSGNBCMU-ZDUSSCGKSA-N 2 2 280.372 0.188 20 0 CCADLP CC[N@H+](CC(C)(C)O)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000305743068 354157719 /nfs/dbraw/zinc/15/77/19/354157719.db2.gz OEXPGUISTGSYKX-ZDUSSCGKSA-N 2 2 285.432 0.632 20 0 CCADLP CC[N@@H+](CC(C)(C)O)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000305743068 354157722 /nfs/dbraw/zinc/15/77/22/354157722.db2.gz OEXPGUISTGSYKX-ZDUSSCGKSA-N 2 2 285.432 0.632 20 0 CCADLP COC(=O)[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000311434801 354200075 /nfs/dbraw/zinc/20/00/75/354200075.db2.gz DTYPCRHOVDJWRB-STQMWFEESA-N 2 2 272.389 0.573 20 0 CCADLP COC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000311434801 354200077 /nfs/dbraw/zinc/20/00/77/354200077.db2.gz DTYPCRHOVDJWRB-STQMWFEESA-N 2 2 272.389 0.573 20 0 CCADLP COC(=O)[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000311434801 354200080 /nfs/dbraw/zinc/20/00/80/354200080.db2.gz DTYPCRHOVDJWRB-STQMWFEESA-N 2 2 272.389 0.573 20 0 CCADLP COC(=O)[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000311434801 354200082 /nfs/dbraw/zinc/20/00/82/354200082.db2.gz DTYPCRHOVDJWRB-STQMWFEESA-N 2 2 272.389 0.573 20 0 CCADLP COC(=O)[C@H]1CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000314043025 354221911 /nfs/dbraw/zinc/22/19/11/354221911.db2.gz FKNKBUPFUBDDAC-GFCCVEGCSA-N 2 2 251.330 0.990 20 0 CCADLP COC(=O)[C@H]1CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000314043025 354221912 /nfs/dbraw/zinc/22/19/12/354221912.db2.gz FKNKBUPFUBDDAC-GFCCVEGCSA-N 2 2 251.330 0.990 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487213 412590064 /nfs/dbraw/zinc/59/00/64/412590064.db2.gz ATAAFICSBOYTPB-WNWFYDSVSA-N 2 2 281.400 0.351 20 0 CCADLP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cn[nH]c1 ZINC000330491636 354379409 /nfs/dbraw/zinc/37/94/09/354379409.db2.gz HTNMJBJERINWKX-LLVKDONJSA-N 2 2 252.362 0.907 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487213 412590071 /nfs/dbraw/zinc/59/00/71/412590071.db2.gz ATAAFICSBOYTPB-WNWFYDSVSA-N 2 2 281.400 0.351 20 0 CCADLP CC(=O)NCC1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000330554614 354409712 /nfs/dbraw/zinc/40/97/12/354409712.db2.gz GJQIHDIDHICDNV-UHFFFAOYSA-N 2 2 250.346 0.731 20 0 CCADLP NS(=O)(=O)C[C@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000331311274 354529239 /nfs/dbraw/zinc/52/92/39/354529239.db2.gz ZLVFUORPDSHYEJ-CYBMUJFWSA-N 2 2 289.445 0.615 20 0 CCADLP NS(=O)(=O)C[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000331311274 354529242 /nfs/dbraw/zinc/52/92/42/354529242.db2.gz ZLVFUORPDSHYEJ-CYBMUJFWSA-N 2 2 289.445 0.615 20 0 CCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(N)=O)CC2)CC1 ZINC000331425210 354570912 /nfs/dbraw/zinc/57/09/12/354570912.db2.gz AZZSPTMUCLVOBZ-UHFFFAOYSA-N 2 2 254.378 0.557 20 0 CCADLP CC[NH+]1CCC([N@H+]2CCCN(C(N)=O)CC2)CC1 ZINC000331425210 354570913 /nfs/dbraw/zinc/57/09/13/354570913.db2.gz AZZSPTMUCLVOBZ-UHFFFAOYSA-N 2 2 254.378 0.557 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)NCCCn2cc[nH+]c2)[N@H+](C)C1 ZINC000332300942 354641874 /nfs/dbraw/zinc/64/18/74/354641874.db2.gz JLBDIAGTWKMLNQ-RYUDHWBXSA-N 2 2 266.345 0.109 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)NCCCn2cc[nH+]c2)[N@@H+](C)C1 ZINC000332300942 354641877 /nfs/dbraw/zinc/64/18/77/354641877.db2.gz JLBDIAGTWKMLNQ-RYUDHWBXSA-N 2 2 266.345 0.109 20 0 CCADLP COc1c(C)cccc1CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000655491009 412595092 /nfs/dbraw/zinc/59/50/92/412595092.db2.gz SIGRKUZCWBNQOW-CYBMUJFWSA-N 2 2 279.384 0.899 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000333315472 354756290 /nfs/dbraw/zinc/75/62/90/354756290.db2.gz SRGKCFFCTMEYTL-AEGPPILISA-N 2 2 295.427 0.887 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000333315472 354756291 /nfs/dbraw/zinc/75/62/91/354756291.db2.gz SRGKCFFCTMEYTL-AEGPPILISA-N 2 2 295.427 0.887 20 0 CCADLP O=C(NCc1cn2ccccc2[nH+]1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000333887573 354810899 /nfs/dbraw/zinc/81/08/99/354810899.db2.gz GEKPOTYFYCZVCN-TXEJJXNPSA-N 2 2 285.351 0.695 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000608008468 363389539 /nfs/dbraw/zinc/38/95/39/363389539.db2.gz GHNRCLJRDHXJBL-ZDUSSCGKSA-N 2 2 278.356 0.206 20 0 CCADLP Cc1nc(NC[C@]2([NH+]3CCOCC3)CCSC2)cc[nH+]1 ZINC000608014528 363392018 /nfs/dbraw/zinc/39/20/18/363392018.db2.gz VIQCCJKWLMAREH-CQSZACIVSA-N 2 2 294.424 0.827 20 0 CCADLP CC[C@@H]1C[N@@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CCO1 ZINC000608017758 363393711 /nfs/dbraw/zinc/39/37/11/363393711.db2.gz SPCKWABHWWLOKJ-CHWSQXEVSA-N 2 2 297.399 0.176 20 0 CCADLP CC[C@@H]1C[N@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CCO1 ZINC000608017758 363393717 /nfs/dbraw/zinc/39/37/17/363393717.db2.gz SPCKWABHWWLOKJ-CHWSQXEVSA-N 2 2 297.399 0.176 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+](C)CC1)[NH+]1CCSCC1 ZINC000334429050 354863475 /nfs/dbraw/zinc/86/34/75/354863475.db2.gz TVWWYOFDNMUMIZ-NSHDSACASA-N 2 2 257.403 0.198 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[NH2+][C@H](C)C1 ZINC000334599621 354906541 /nfs/dbraw/zinc/90/65/41/354906541.db2.gz PMQIZEAEPPABLM-GHMZBOCLSA-N 2 2 251.334 0.275 20 0 CCADLP [NH3+][C@@H]1CCCN(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000335062513 354954575 /nfs/dbraw/zinc/95/45/75/354954575.db2.gz KJBZMJSRPCEETQ-NXEZZACHSA-N 2 2 276.331 0.364 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000423754503 235057612 /nfs/dbraw/zinc/05/76/12/235057612.db2.gz YRYBJWMRCAFIFR-CHWSQXEVSA-N 2 2 269.389 0.165 20 0 CCADLP CNC(=O)N[C@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000336611293 355122829 /nfs/dbraw/zinc/12/28/29/355122829.db2.gz WXPORIQEFIWJRG-NSHDSACASA-N 2 2 273.340 0.838 20 0 CCADLP CNC(=O)N[C@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000336611293 355122831 /nfs/dbraw/zinc/12/28/31/355122831.db2.gz WXPORIQEFIWJRG-NSHDSACASA-N 2 2 273.340 0.838 20 0 CCADLP [NH3+]CC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000423919421 235117756 /nfs/dbraw/zinc/11/77/56/235117756.db2.gz QLXHNJPNGKXVAX-UHFFFAOYSA-N 2 2 267.760 0.773 20 0 CCADLP [NH3+]CC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000423919421 235117759 /nfs/dbraw/zinc/11/77/59/235117759.db2.gz QLXHNJPNGKXVAX-UHFFFAOYSA-N 2 2 267.760 0.773 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000558449618 291056558 /nfs/dbraw/zinc/05/65/58/291056558.db2.gz OUZIGNGZFYJUFL-GFCCVEGCSA-N 2 2 250.346 0.419 20 0 CCADLP C[C@H](O)CCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000336788288 355160376 /nfs/dbraw/zinc/16/03/76/355160376.db2.gz GVSXGJMLMVVJFL-UONOGXRCSA-N 2 2 256.390 0.802 20 0 CCADLP C[C@H](O)CCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000336788288 355160378 /nfs/dbraw/zinc/16/03/78/355160378.db2.gz GVSXGJMLMVVJFL-UONOGXRCSA-N 2 2 256.390 0.802 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000336654858 355131138 /nfs/dbraw/zinc/13/11/38/355131138.db2.gz GWPYESRCLPQKMU-WDEREUQCSA-N 2 2 250.408 0.597 20 0 CCADLP C[C@H](O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000336706767 355143951 /nfs/dbraw/zinc/14/39/51/355143951.db2.gz WYBZLQCPZSRCAI-UONOGXRCSA-N 2 2 256.390 0.802 20 0 CCADLP C[C@H](O)CC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000336706767 355143952 /nfs/dbraw/zinc/14/39/52/355143952.db2.gz WYBZLQCPZSRCAI-UONOGXRCSA-N 2 2 256.390 0.802 20 0 CCADLP COCCCC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000336707983 355144401 /nfs/dbraw/zinc/14/44/01/355144401.db2.gz JDVVHESTJVDMMP-UHFFFAOYSA-N 2 2 252.362 0.969 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+]([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000336841108 355211526 /nfs/dbraw/zinc/21/15/26/355211526.db2.gz NSSCIEYJFZAUBJ-HNNXBMFYSA-N 2 2 295.427 0.528 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+]([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000336841108 355211529 /nfs/dbraw/zinc/21/15/29/355211529.db2.gz NSSCIEYJFZAUBJ-HNNXBMFYSA-N 2 2 295.427 0.528 20 0 CCADLP O=C(CC[C@@H]1CC[NH2+]C1)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424189319 235175002 /nfs/dbraw/zinc/17/50/02/235175002.db2.gz KLQFCUMJWXTRJZ-MNOVXSKESA-N 2 2 275.343 0.737 20 0 CCADLP C[N@H+](CC[C@@H]1CCC[NH+]1C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000336814239 355189488 /nfs/dbraw/zinc/18/94/88/355189488.db2.gz FDCVHHLUQZGUBF-STQMWFEESA-N 2 2 289.445 0.436 20 0 CCADLP C[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000336814239 355189491 /nfs/dbraw/zinc/18/94/91/355189491.db2.gz FDCVHHLUQZGUBF-STQMWFEESA-N 2 2 289.445 0.436 20 0 CCADLP C[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000336814239 355189493 /nfs/dbraw/zinc/18/94/93/355189493.db2.gz FDCVHHLUQZGUBF-STQMWFEESA-N 2 2 289.445 0.436 20 0 CCADLP C[NH+](CC[C@@H]1CCC[N@H+]1C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000336814239 355189495 /nfs/dbraw/zinc/18/94/95/355189495.db2.gz FDCVHHLUQZGUBF-STQMWFEESA-N 2 2 289.445 0.436 20 0 CCADLP C[N@H+](CCO)C1CC[NH+]([C@@H]2CCN(C3CC3)C2=O)CC1 ZINC000336824828 355198754 /nfs/dbraw/zinc/19/87/54/355198754.db2.gz WFAMJCHYHMKVGL-CQSZACIVSA-N 2 2 281.400 0.138 20 0 CCADLP C[N@@H+](CCO)C1CC[NH+]([C@@H]2CCN(C3CC3)C2=O)CC1 ZINC000336824828 355198758 /nfs/dbraw/zinc/19/87/58/355198758.db2.gz WFAMJCHYHMKVGL-CQSZACIVSA-N 2 2 281.400 0.138 20 0 CCADLP O=C1NCCC[C@@H]1[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000336825823 355200196 /nfs/dbraw/zinc/20/01/96/355200196.db2.gz ZVJVHUUKUFXWNM-KGLIPLIRSA-N 2 2 281.400 0.309 20 0 CCADLP O=C1NCCC[C@@H]1[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000336825823 355200200 /nfs/dbraw/zinc/20/02/00/355200200.db2.gz ZVJVHUUKUFXWNM-KGLIPLIRSA-N 2 2 281.400 0.309 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000336831110 355204525 /nfs/dbraw/zinc/20/45/25/355204525.db2.gz CSQXBSKXJXFDMH-HNNXBMFYSA-N 3 2 280.416 0.969 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000336831110 355204530 /nfs/dbraw/zinc/20/45/30/355204530.db2.gz CSQXBSKXJXFDMH-HNNXBMFYSA-N 3 2 280.416 0.969 20 0 CCADLP Cc1[nH+]ccn1CCC[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336831110 355204534 /nfs/dbraw/zinc/20/45/34/355204534.db2.gz CSQXBSKXJXFDMH-HNNXBMFYSA-N 3 2 280.416 0.969 20 0 CCADLP Cc1[nH+]ccn1CCC[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336831110 355204538 /nfs/dbraw/zinc/20/45/38/355204538.db2.gz CSQXBSKXJXFDMH-HNNXBMFYSA-N 3 2 280.416 0.969 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)N(C)Cc1[nH+]ccn1C ZINC000271803762 191337335 /nfs/dbraw/zinc/33/73/35/191337335.db2.gz PQNHWZBBNCDBGJ-NSHDSACASA-N 2 2 267.377 0.902 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(Cn2ccnn2)CC1)C1CC1 ZINC000336850208 355217802 /nfs/dbraw/zinc/21/78/02/355217802.db2.gz WHECUENKBOOAFL-OAHLLOKOSA-N 2 2 293.415 0.445 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(Cn2ccnn2)CC1)C1CC1 ZINC000336850208 355217805 /nfs/dbraw/zinc/21/78/05/355217805.db2.gz WHECUENKBOOAFL-OAHLLOKOSA-N 2 2 293.415 0.445 20 0 CCADLP C[C@H]1COCCN1CC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000337122012 355269769 /nfs/dbraw/zinc/26/97/69/355269769.db2.gz AYBURWPNUDRXFI-AWEZNQCLSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H]1COCCN1CC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000337122012 355269772 /nfs/dbraw/zinc/26/97/72/355269772.db2.gz AYBURWPNUDRXFI-AWEZNQCLSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCN(C)C1CC[NH+](CCO)CC1 ZINC000337122012 355269774 /nfs/dbraw/zinc/26/97/74/355269774.db2.gz AYBURWPNUDRXFI-AWEZNQCLSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H]1COCC[N@H+]1CCN(C)C1CC[NH+](CCO)CC1 ZINC000337122012 355269777 /nfs/dbraw/zinc/26/97/77/355269777.db2.gz AYBURWPNUDRXFI-AWEZNQCLSA-N 2 2 285.432 0.096 20 0 CCADLP CC[NH+](CC)CC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000337615191 355304961 /nfs/dbraw/zinc/30/49/61/355304961.db2.gz XZAKOPOLZGNCTA-UHFFFAOYSA-N 2 2 269.389 0.309 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000338296640 355314149 /nfs/dbraw/zinc/31/41/49/355314149.db2.gz UKDGPQSBBFTTTG-ZDUSSCGKSA-N 2 2 263.341 0.871 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000338296640 355314152 /nfs/dbraw/zinc/31/41/52/355314152.db2.gz UKDGPQSBBFTTTG-ZDUSSCGKSA-N 2 2 263.341 0.871 20 0 CCADLP CC(C)N1CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000338307878 355316295 /nfs/dbraw/zinc/31/62/95/355316295.db2.gz QVGFUDZZIILJFX-UHFFFAOYSA-N 2 2 296.459 0.567 20 0 CCADLP CC(C)N1CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000338307878 355316298 /nfs/dbraw/zinc/31/62/98/355316298.db2.gz QVGFUDZZIILJFX-UHFFFAOYSA-N 2 2 296.459 0.567 20 0 CCADLP CCC[N@H+](CCn1cc[nH+]c1)[C@@H]1CC(=O)N(C)C1=O ZINC000338327055 355322795 /nfs/dbraw/zinc/32/27/95/355322795.db2.gz MWWRSWGRDWRQRF-LLVKDONJSA-N 2 2 264.329 0.352 20 0 CCADLP CCC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CC(=O)N(C)C1=O ZINC000338327055 355322797 /nfs/dbraw/zinc/32/27/97/355322797.db2.gz MWWRSWGRDWRQRF-LLVKDONJSA-N 2 2 264.329 0.352 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCCCO2)CC1 ZINC000338676809 355395085 /nfs/dbraw/zinc/39/50/85/355395085.db2.gz QZSOKVYXVDHBGL-UHFFFAOYSA-N 2 2 284.404 0.749 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCCOCC[NH+](C)C ZINC000339162446 355496371 /nfs/dbraw/zinc/49/63/71/355496371.db2.gz DNGQXQUOQRRUGH-UHFFFAOYSA-N 2 2 268.361 0.047 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)CCc2c[nH+]cn2C)CCO1 ZINC000339164495 355497935 /nfs/dbraw/zinc/49/79/35/355497935.db2.gz NWIRFUVSROGNDQ-AWEZNQCLSA-N 2 2 294.399 0.580 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)CCc2c[nH+]cn2C)CCO1 ZINC000339164495 355497938 /nfs/dbraw/zinc/49/79/38/355497938.db2.gz NWIRFUVSROGNDQ-AWEZNQCLSA-N 2 2 294.399 0.580 20 0 CCADLP C[NH+](C)C1CC[NH+](CCn2nc3ccccn3c2=O)CC1 ZINC000338939175 355457080 /nfs/dbraw/zinc/45/70/80/355457080.db2.gz PRCPEAUPJDMDOW-UHFFFAOYSA-N 2 2 289.383 0.522 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCCNc1cc[nH+]cc1 ZINC000339091719 355485521 /nfs/dbraw/zinc/48/55/21/355485521.db2.gz QUBHKUJCCUISSC-UHFFFAOYSA-N 2 2 273.340 0.398 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@H](O)C2CC2)CC1 ZINC000340251120 355539277 /nfs/dbraw/zinc/53/92/77/355539277.db2.gz GIYDYCDFWUEDFF-AWEZNQCLSA-N 2 2 298.431 0.083 20 0 CCADLP C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1c[nH+]c(N(C)C)n1C ZINC000425375382 235290020 /nfs/dbraw/zinc/29/00/20/235290020.db2.gz ZHSGLDQOTQYNAF-YPMHNXCESA-N 2 2 282.388 0.458 20 0 CCADLP C[C@H]1OCC[C@@H]1[N@@H+](CCO)Cc1c[nH+]c(N(C)C)n1C ZINC000425375382 235290022 /nfs/dbraw/zinc/29/00/22/235290022.db2.gz ZHSGLDQOTQYNAF-YPMHNXCESA-N 2 2 282.388 0.458 20 0 CCADLP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000341332994 355654388 /nfs/dbraw/zinc/65/43/88/355654388.db2.gz YFCNLXJAQQZMIB-JHJVBQTASA-N 2 2 294.399 0.924 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1nccn1C ZINC000341706827 355719243 /nfs/dbraw/zinc/71/92/43/355719243.db2.gz IKYQUOFRLWPEED-CHWSQXEVSA-N 2 2 293.415 0.658 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1nccn1C ZINC000341706827 355719246 /nfs/dbraw/zinc/71/92/46/355719246.db2.gz IKYQUOFRLWPEED-CHWSQXEVSA-N 2 2 293.415 0.658 20 0 CCADLP Cc1[nH+]ccn1CCN1CC[N@H+](CCO)[C@@H](C)C1 ZINC000426461258 235337237 /nfs/dbraw/zinc/33/72/37/235337237.db2.gz RODLIJZOXWFLHM-LBPRGKRZSA-N 2 2 252.362 0.190 20 0 CCADLP Cc1[nH+]ccn1CCN1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000426461258 235337240 /nfs/dbraw/zinc/33/72/40/235337240.db2.gz RODLIJZOXWFLHM-LBPRGKRZSA-N 2 2 252.362 0.190 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCN(CCO)[C@@H](C)C1 ZINC000426461258 235337245 /nfs/dbraw/zinc/33/72/45/235337245.db2.gz RODLIJZOXWFLHM-LBPRGKRZSA-N 2 2 252.362 0.190 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCN(CCO)[C@@H](C)C1 ZINC000426461258 235337248 /nfs/dbraw/zinc/33/72/48/235337248.db2.gz RODLIJZOXWFLHM-LBPRGKRZSA-N 2 2 252.362 0.190 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000341468765 355677813 /nfs/dbraw/zinc/67/78/13/355677813.db2.gz VUJAKDUFLZJAKB-QWHCGFSZSA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000341468765 355677819 /nfs/dbraw/zinc/67/78/19/355677819.db2.gz VUJAKDUFLZJAKB-QWHCGFSZSA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@@H](C)C1 ZINC000341468765 355677825 /nfs/dbraw/zinc/67/78/25/355677825.db2.gz VUJAKDUFLZJAKB-QWHCGFSZSA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000341468765 355677831 /nfs/dbraw/zinc/67/78/31/355677831.db2.gz VUJAKDUFLZJAKB-QWHCGFSZSA-N 2 2 297.399 0.176 20 0 CCADLP O=C(NCCn1cc[nH+]c1)[C@H]1CC[NH2+]CC1(F)F ZINC000342766925 355741655 /nfs/dbraw/zinc/74/16/55/355741655.db2.gz YUASGIPFXHRRME-SECBINFHSA-N 2 2 258.272 0.244 20 0 CCADLP C[C@@H]1[NH2+]CCN(C(=O)[C@@H]2CC[NH2+]CC2(F)F)[C@H]1C ZINC000343446858 355770934 /nfs/dbraw/zinc/77/09/34/355770934.db2.gz XXMOPTZHNLZNSH-GUBZILKMSA-N 2 2 261.316 0.440 20 0 CCADLP CC(C)[NH+]1CCC(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000345425195 355823820 /nfs/dbraw/zinc/82/38/20/355823820.db2.gz HVMUAUQSYWVTKE-AWEZNQCLSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[NH+]1CCC(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000345425195 355823824 /nfs/dbraw/zinc/82/38/24/355823824.db2.gz HVMUAUQSYWVTKE-AWEZNQCLSA-N 2 2 297.443 0.944 20 0 CCADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)NC(C1CC1)C1CC1 ZINC000428049170 235392441 /nfs/dbraw/zinc/39/24/41/235392441.db2.gz MSHWKCGUDCFLEO-ZIAGYGMSSA-N 2 2 277.412 0.975 20 0 CCADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)NC(C1CC1)C1CC1 ZINC000428049170 235392443 /nfs/dbraw/zinc/39/24/43/235392443.db2.gz MSHWKCGUDCFLEO-ZIAGYGMSSA-N 2 2 277.412 0.975 20 0 CCADLP C[C@H](CNC(=O)[C@@H]([NH3+])CC(F)F)Cn1cc[nH+]c1 ZINC000345688515 355862911 /nfs/dbraw/zinc/86/29/11/355862911.db2.gz IVBPUGMKTCRHPG-BDAKNGLRSA-N 2 2 260.288 0.618 20 0 CCADLP C[C@H](CS(C)(=O)=O)[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000346973937 355874902 /nfs/dbraw/zinc/87/49/02/355874902.db2.gz INHZDYZOMBZYSO-VXGBXAGGSA-N 2 2 274.430 0.884 20 0 CCADLP C[C@H](CS(C)(=O)=O)[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000346973937 355874908 /nfs/dbraw/zinc/87/49/08/355874908.db2.gz INHZDYZOMBZYSO-VXGBXAGGSA-N 2 2 274.430 0.884 20 0 CCADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000348402367 355925504 /nfs/dbraw/zinc/92/55/04/355925504.db2.gz BPXQHKAEXYVUIN-ZDUSSCGKSA-N 2 2 283.397 0.685 20 0 CCADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000348402367 355925509 /nfs/dbraw/zinc/92/55/09/355925509.db2.gz BPXQHKAEXYVUIN-ZDUSSCGKSA-N 2 2 283.397 0.685 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000348218623 355889967 /nfs/dbraw/zinc/88/99/67/355889967.db2.gz XWXLGOXKOCQTEZ-NWDGAFQWSA-N 2 2 277.372 0.846 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000348218623 355889972 /nfs/dbraw/zinc/88/99/72/355889972.db2.gz XWXLGOXKOCQTEZ-NWDGAFQWSA-N 2 2 277.372 0.846 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000352818447 356090155 /nfs/dbraw/zinc/09/01/55/356090155.db2.gz LRQHWPXJPHQXSK-JHJVBQTASA-N 2 2 286.420 0.345 20 0 CCADLP Cc1cn[nH]c1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000352823890 356091354 /nfs/dbraw/zinc/09/13/54/356091354.db2.gz OXTTUJGNYONLQI-UHFFFAOYSA-N 2 2 252.362 0.655 20 0 CCADLP COCC[C@H](CO)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352852066 356096488 /nfs/dbraw/zinc/09/64/88/356096488.db2.gz DEQNEPJDVNDFDN-SNVBAGLBSA-N 2 2 273.402 0.692 20 0 CCADLP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000353433353 356221397 /nfs/dbraw/zinc/22/13/97/356221397.db2.gz TZTWNHOAIQKESP-QLFBSQMISA-N 2 2 296.459 0.373 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000353433372 356221805 /nfs/dbraw/zinc/22/18/05/356221805.db2.gz UDQMKNZNWXZCIO-AGIUHOORSA-N 2 2 269.389 0.211 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000353434750 356222137 /nfs/dbraw/zinc/22/21/37/356222137.db2.gz WGYPRYMNOZSFGP-MCIONIFRSA-N 2 2 282.432 0.127 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360565567 138000743 /nfs/dbraw/zinc/00/07/43/138000743.db2.gz VEYNNVBCQBOGFL-INIZCTEOSA-N 2 2 297.443 0.851 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360565567 138000744 /nfs/dbraw/zinc/00/07/44/138000744.db2.gz VEYNNVBCQBOGFL-INIZCTEOSA-N 2 2 297.443 0.851 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000361217686 138025220 /nfs/dbraw/zinc/02/52/20/138025220.db2.gz STJLNBVIXPCKQT-RBSFLKMASA-N 3 2 268.449 0.552 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000361217686 138025221 /nfs/dbraw/zinc/02/52/21/138025221.db2.gz STJLNBVIXPCKQT-RBSFLKMASA-N 3 2 268.449 0.552 20 0 CCADLP C[NH+](C)C[C@@H](O)C[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000361217529 138025245 /nfs/dbraw/zinc/02/52/45/138025245.db2.gz RYGJFEUXCJVQBU-INIZCTEOSA-N 2 2 292.427 0.558 20 0 CCADLP C[NH+](C)C[C@@H](O)CNC1CC[NH+](Cc2ccccn2)CC1 ZINC000361217529 138025246 /nfs/dbraw/zinc/02/52/46/138025246.db2.gz RYGJFEUXCJVQBU-INIZCTEOSA-N 2 2 292.427 0.558 20 0 CCADLP C[C@H](C(=O)N(C)CC[N@H+](C)C1CC1)[NH+]1CCN(C)CC1 ZINC000354075812 356342864 /nfs/dbraw/zinc/34/28/64/356342864.db2.gz PAWWUGHWSZXHJN-CYBMUJFWSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@H](C(=O)N(C)CC[N@@H+](C)C1CC1)[NH+]1CCN(C)CC1 ZINC000354075812 356342868 /nfs/dbraw/zinc/34/28/68/356342868.db2.gz PAWWUGHWSZXHJN-CYBMUJFWSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000354293873 356383927 /nfs/dbraw/zinc/38/39/27/356383927.db2.gz BBEFKJNWZSLUAY-CBBWQLFWSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000354293873 356383929 /nfs/dbraw/zinc/38/39/29/356383929.db2.gz BBEFKJNWZSLUAY-CBBWQLFWSA-N 2 2 297.443 0.942 20 0 CCADLP Cc1ccc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cn1 ZINC000362664091 138068390 /nfs/dbraw/zinc/06/83/90/138068390.db2.gz MABFPMHMXCEHNB-HNNXBMFYSA-N 2 2 288.395 0.786 20 0 CCADLP Cc1ccc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cn1 ZINC000362664091 138068391 /nfs/dbraw/zinc/06/83/91/138068391.db2.gz MABFPMHMXCEHNB-HNNXBMFYSA-N 2 2 288.395 0.786 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363182831 138086955 /nfs/dbraw/zinc/08/69/55/138086955.db2.gz HPHABCKMHUGDBZ-RYUDHWBXSA-N 2 2 293.371 0.083 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000363182831 138086956 /nfs/dbraw/zinc/08/69/56/138086956.db2.gz HPHABCKMHUGDBZ-RYUDHWBXSA-N 2 2 293.371 0.083 20 0 CCADLP CCOC[C@H](O)C[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000354856779 356515373 /nfs/dbraw/zinc/51/53/73/356515373.db2.gz VIALNUPFVCORDG-UKRRQHHQSA-N 2 2 286.416 0.569 20 0 CCADLP C[C@@H](C(=O)N(C)C[C@H]1CC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000354983307 356543995 /nfs/dbraw/zinc/54/39/95/356543995.db2.gz DZRJIOBQEDELFJ-STQMWFEESA-N 2 2 269.389 0.117 20 0 CCADLP C[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000354983307 356543996 /nfs/dbraw/zinc/54/39/96/356543996.db2.gz DZRJIOBQEDELFJ-STQMWFEESA-N 2 2 269.389 0.117 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCCO2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354949666 356534647 /nfs/dbraw/zinc/53/46/47/356534647.db2.gz SSGADSQZXZVTCR-UKRRQHHQSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCCO2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354949666 356534652 /nfs/dbraw/zinc/53/46/52/356534652.db2.gz SSGADSQZXZVTCR-UKRRQHHQSA-N 2 2 295.427 0.792 20 0 CCADLP CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000609386243 363493216 /nfs/dbraw/zinc/49/32/16/363493216.db2.gz NQQBVMJQASMIPW-LLVKDONJSA-N 2 2 270.377 0.295 20 0 CCADLP CNC(=O)NC(=O)CC[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000609386243 363493221 /nfs/dbraw/zinc/49/32/21/363493221.db2.gz NQQBVMJQASMIPW-LLVKDONJSA-N 2 2 270.377 0.295 20 0 CCADLP COC(=O)CN1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000355256408 356620035 /nfs/dbraw/zinc/62/00/35/356620035.db2.gz HDNFKSGVTCEABM-UHFFFAOYSA-N 2 2 283.416 0.653 20 0 CCADLP Cc1nc([C@@H]2C[N@H+](CCn3cc[nH+]c3C)CCO2)no1 ZINC000329028771 202159727 /nfs/dbraw/zinc/15/97/27/202159727.db2.gz KQPWHYKMVXSPBD-LBPRGKRZSA-N 2 2 277.328 0.956 20 0 CCADLP Cc1nc([C@@H]2C[N@@H+](CCn3cc[nH+]c3C)CCO2)no1 ZINC000329028771 202159729 /nfs/dbraw/zinc/15/97/29/202159729.db2.gz KQPWHYKMVXSPBD-LBPRGKRZSA-N 2 2 277.328 0.956 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000329034744 202161413 /nfs/dbraw/zinc/16/14/13/202161413.db2.gz MMHYLZXAFQRUHI-CYBMUJFWSA-N 2 2 277.328 0.022 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@]2(C1)NC(=O)N(C)C2=O ZINC000329034744 202161416 /nfs/dbraw/zinc/16/14/16/202161416.db2.gz MMHYLZXAFQRUHI-CYBMUJFWSA-N 2 2 277.328 0.022 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000619890344 366370574 /nfs/dbraw/zinc/37/05/74/366370574.db2.gz SSNQSMUUYILSAI-OAHLLOKOSA-N 2 2 295.427 0.651 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000619890344 366370579 /nfs/dbraw/zinc/37/05/79/366370579.db2.gz SSNQSMUUYILSAI-OAHLLOKOSA-N 2 2 295.427 0.651 20 0 CCADLP C[NH+](C)CCN(C(=O)c1cc(C[NH+](C)C)on1)C1CC1 ZINC000356303109 356743794 /nfs/dbraw/zinc/74/37/94/356743794.db2.gz SBVJGXOIQIZEKQ-UHFFFAOYSA-N 2 2 280.372 0.902 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000356352311 356751622 /nfs/dbraw/zinc/75/16/22/356751622.db2.gz KOCWTBKOFMUJOG-CYBMUJFWSA-N 2 2 296.415 0.197 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000356352311 356751627 /nfs/dbraw/zinc/75/16/27/356751627.db2.gz KOCWTBKOFMUJOG-CYBMUJFWSA-N 2 2 296.415 0.197 20 0 CCADLP C[C@@H](C1CCC1)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000357610366 356771795 /nfs/dbraw/zinc/77/17/95/356771795.db2.gz LKZCHENBVTUULA-LBPRGKRZSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@@H](C1CCC1)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000357610366 356771798 /nfs/dbraw/zinc/77/17/98/356771798.db2.gz LKZCHENBVTUULA-LBPRGKRZSA-N 2 2 253.390 0.881 20 0 CCADLP CN(Cc1ccc(F)cc1)C(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359294293 356796051 /nfs/dbraw/zinc/79/60/51/356796051.db2.gz BOEZYVJOUNPJRP-ZIAGYGMSSA-N 2 2 291.370 0.935 20 0 CCADLP CCOC(=O)c1c[nH+]ccc1NCC[N@@H+]1CCOC[C@H]1C ZINC000359475711 356828507 /nfs/dbraw/zinc/82/85/07/356828507.db2.gz ABLAPJMJHYNGGL-GFCCVEGCSA-N 2 2 293.367 0.813 20 0 CCADLP CCOC(=O)c1c[nH+]ccc1NCC[N@H+]1CCOC[C@H]1C ZINC000359475711 356828509 /nfs/dbraw/zinc/82/85/09/356828509.db2.gz ABLAPJMJHYNGGL-GFCCVEGCSA-N 2 2 293.367 0.813 20 0 CCADLP CC[NH+](CC)[C@H](C)CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000359878581 356913689 /nfs/dbraw/zinc/91/36/89/356913689.db2.gz PQVGTUMOCLTFNQ-SNVBAGLBSA-N 2 2 266.393 0.810 20 0 CCADLP Cc1csc(=O)n1CC[N@@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000359895116 356916486 /nfs/dbraw/zinc/91/64/86/356916486.db2.gz GCSACTBSWGQMBY-NSHDSACASA-N 2 2 255.387 0.887 20 0 CCADLP Cc1csc(=O)n1CC[N@H+](C)[C@@H](C[NH3+])C1CC1 ZINC000359895116 356916488 /nfs/dbraw/zinc/91/64/88/356916488.db2.gz GCSACTBSWGQMBY-NSHDSACASA-N 2 2 255.387 0.887 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000359951668 356926086 /nfs/dbraw/zinc/92/60/86/356926086.db2.gz CDLPAUNYVKPICB-ZDUSSCGKSA-N 2 2 285.432 0.992 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000361417513 357047370 /nfs/dbraw/zinc/04/73/70/357047370.db2.gz OKPSAXSGRGIGQO-RYUDHWBXSA-N 2 2 282.388 0.378 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000361417513 357047373 /nfs/dbraw/zinc/04/73/73/357047373.db2.gz OKPSAXSGRGIGQO-RYUDHWBXSA-N 2 2 282.388 0.378 20 0 CCADLP C[C@H](CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)[NH+]1CCOCC1 ZINC000366634251 357228635 /nfs/dbraw/zinc/22/86/35/357228635.db2.gz MZWBDFXMKDRWBR-UMVBOHGHSA-N 2 2 281.400 0.213 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2C[C@@]23CCOC3)CC1 ZINC000368107695 357321115 /nfs/dbraw/zinc/32/11/15/357321115.db2.gz NMSVASZLYKFZPW-GOEBONIOSA-N 2 2 295.427 0.555 20 0 CCADLP CCc1nc(N2CC[N@@H+]3CCOC[C@H]3C2)cc(C)[nH+]1 ZINC000376438128 357468619 /nfs/dbraw/zinc/46/86/19/357468619.db2.gz XPMDHLMJWNGTQY-GFCCVEGCSA-N 2 2 262.357 0.868 20 0 CCADLP CCc1nc(N2CC[N@H+]3CCOC[C@H]3C2)cc(C)[nH+]1 ZINC000376438128 357468621 /nfs/dbraw/zinc/46/86/21/357468621.db2.gz XPMDHLMJWNGTQY-GFCCVEGCSA-N 2 2 262.357 0.868 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C[C@H]3CCC[NH2+]3)C2)CC1 ZINC000377196218 357551319 /nfs/dbraw/zinc/55/13/19/357551319.db2.gz HWVUGRXIMBZFPD-KGLIPLIRSA-N 3 2 294.443 0.413 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C[C@H]3CCC[NH2+]3)C2)CC1 ZINC000377196218 357551321 /nfs/dbraw/zinc/55/13/21/357551321.db2.gz HWVUGRXIMBZFPD-KGLIPLIRSA-N 3 2 294.443 0.413 20 0 CCADLP O=C1OCC[C@@H]1[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000377481266 357579126 /nfs/dbraw/zinc/57/91/26/357579126.db2.gz IDOQRYZLNNMMQH-AWEZNQCLSA-N 2 2 282.384 0.736 20 0 CCADLP Cc1cnn([C@@H]2CC[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000377760117 357612653 /nfs/dbraw/zinc/61/26/53/357612653.db2.gz LVSKWXOEBDRTBP-CQSZACIVSA-N 2 2 291.399 0.212 20 0 CCADLP Cc1cnn([C@@H]2CC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)c1 ZINC000377760117 357612659 /nfs/dbraw/zinc/61/26/59/357612659.db2.gz LVSKWXOEBDRTBP-CQSZACIVSA-N 2 2 291.399 0.212 20 0 CCADLP CCN1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1=O ZINC000655772798 412658454 /nfs/dbraw/zinc/65/84/54/412658454.db2.gz QYMZJEYJXVROSM-KGLIPLIRSA-N 2 2 281.400 0.450 20 0 CCADLP CC[N@H+](CC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000378304849 357669324 /nfs/dbraw/zinc/66/93/24/357669324.db2.gz GDVYJSLVNUDWPQ-JTQLQIEISA-N 2 2 262.357 0.868 20 0 CCADLP CC[N@@H+](CC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000378304849 357669327 /nfs/dbraw/zinc/66/93/27/357669327.db2.gz GDVYJSLVNUDWPQ-JTQLQIEISA-N 2 2 262.357 0.868 20 0 CCADLP CC[N@H+](CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000378304849 357669330 /nfs/dbraw/zinc/66/93/30/357669330.db2.gz GDVYJSLVNUDWPQ-JTQLQIEISA-N 2 2 262.357 0.868 20 0 CCADLP CC[N@@H+](CC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000378304849 357669332 /nfs/dbraw/zinc/66/93/32/357669332.db2.gz GDVYJSLVNUDWPQ-JTQLQIEISA-N 2 2 262.357 0.868 20 0 CCADLP C[C@@H](NC(=O)C[NH+]1CCN(c2ccccn2)CC1)[C@H](C)[NH3+] ZINC000449603985 236040530 /nfs/dbraw/zinc/04/05/30/236040530.db2.gz SAUFZTSAEYKLSO-QWHCGFSZSA-N 2 2 291.399 0.056 20 0 CCADLP [NH3+][C@H](Cc1ccccc1)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449648778 236043046 /nfs/dbraw/zinc/04/30/46/236043046.db2.gz UOERHHHCKMMBHY-QWHCGFSZSA-N 2 2 297.349 0.917 20 0 CCADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)CCC(=O)OCC)C1 ZINC000389291164 357736298 /nfs/dbraw/zinc/73/62/98/357736298.db2.gz KHQWNSJMMHQQLJ-STQMWFEESA-N 2 2 272.389 0.765 20 0 CCADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CCC(=O)OCC)C1 ZINC000389291164 357736301 /nfs/dbraw/zinc/73/63/01/357736301.db2.gz KHQWNSJMMHQQLJ-STQMWFEESA-N 2 2 272.389 0.765 20 0 CCADLP CCOC(=O)[C@H](CC)[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405896380 357827576 /nfs/dbraw/zinc/82/75/76/357827576.db2.gz YNVYMEYBZBHYNZ-GRYCIOLGSA-N 2 2 258.362 0.624 20 0 CCADLP CCOC(=O)[C@H](CC)[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405896380 357827580 /nfs/dbraw/zinc/82/75/80/357827580.db2.gz YNVYMEYBZBHYNZ-GRYCIOLGSA-N 2 2 258.362 0.624 20 0 CCADLP CC1(C)C[NH+](CC(=O)NCCC[NH+]2CCOCC2)C1 ZINC000561068615 291116254 /nfs/dbraw/zinc/11/62/54/291116254.db2.gz FILKMLKSOFCJEY-UHFFFAOYSA-N 2 2 269.389 0.167 20 0 CCADLP C[C@@H]1C[N@H+](CCO)CCN1c1cc(N2CCCC2)[nH+]cn1 ZINC000450951548 236123743 /nfs/dbraw/zinc/12/37/43/236123743.db2.gz GCQZEQYHNWPZNQ-CYBMUJFWSA-N 2 2 291.399 0.580 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)CCN1c1cc(N2CCCC2)[nH+]cn1 ZINC000450951548 236123745 /nfs/dbraw/zinc/12/37/45/236123745.db2.gz GCQZEQYHNWPZNQ-CYBMUJFWSA-N 2 2 291.399 0.580 20 0 CCADLP C[C@@H](O)CNc1cc(NCC[N@@H+]2CCCOCC2)nc[nH+]1 ZINC000294375087 199015651 /nfs/dbraw/zinc/01/56/51/199015651.db2.gz LRMNDDXVTZFOQB-GFCCVEGCSA-N 2 2 295.387 0.404 20 0 CCADLP C[C@@H](O)CNc1cc(NCC[N@H+]2CCCOCC2)nc[nH+]1 ZINC000294375087 199015653 /nfs/dbraw/zinc/01/56/53/199015653.db2.gz LRMNDDXVTZFOQB-GFCCVEGCSA-N 2 2 295.387 0.404 20 0 CCADLP O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000408126748 357928245 /nfs/dbraw/zinc/92/82/45/357928245.db2.gz BHIVLNNTWQNYCA-QWHCGFSZSA-N 2 2 289.383 0.463 20 0 CCADLP O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000408126748 357928247 /nfs/dbraw/zinc/92/82/47/357928247.db2.gz BHIVLNNTWQNYCA-QWHCGFSZSA-N 2 2 289.383 0.463 20 0 CCADLP O=C(NCCc1cn2ccccc2[nH+]1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000561128004 291117657 /nfs/dbraw/zinc/11/76/57/291117657.db2.gz BQCUOJHHSUCRNA-IMRBUKKESA-N 2 2 285.351 0.394 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CCCCCO)CC1 ZINC000305696385 283320869 /nfs/dbraw/zinc/32/08/69/283320869.db2.gz AIPRXUPZIDOKKH-AWEZNQCLSA-N 2 2 283.416 0.563 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CCCCCO)CC1 ZINC000305696385 283320875 /nfs/dbraw/zinc/32/08/75/283320875.db2.gz AIPRXUPZIDOKKH-AWEZNQCLSA-N 2 2 283.416 0.563 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000417520276 358134546 /nfs/dbraw/zinc/13/45/46/358134546.db2.gz NNWRSJBKNQJBHF-RWMBFGLXSA-N 2 2 286.420 0.250 20 0 CCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)N(C)CC[NH3+] ZINC000416878770 358128759 /nfs/dbraw/zinc/12/87/59/358128759.db2.gz DZVGHMRROFBHRT-UHFFFAOYSA-N 2 2 275.356 0.945 20 0 CCADLP [NH3+][C@@H](C(=O)NC[C@H]1CCC[NH2+]1)c1c(F)cccc1F ZINC000417783658 358140433 /nfs/dbraw/zinc/14/04/33/358140433.db2.gz NJOOUDJESFHHHY-PRHODGIISA-N 2 2 269.295 0.833 20 0 CCADLP C[C@@H](C(=O)N(C)CC(C)(C)C[NH3+])[NH+]1CCOCC1 ZINC000429538256 358225073 /nfs/dbraw/zinc/22/50/73/358225073.db2.gz HISWGIIUMUTMEP-NSHDSACASA-N 2 2 257.378 0.150 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H](C)CS(C)(=O)=O)C1 ZINC000430611681 358228430 /nfs/dbraw/zinc/22/84/30/358228430.db2.gz OTHVMLUCCIQWFF-VXGBXAGGSA-N 2 2 262.419 0.599 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H](C)CS(C)(=O)=O)C1 ZINC000430611681 358228432 /nfs/dbraw/zinc/22/84/32/358228432.db2.gz OTHVMLUCCIQWFF-VXGBXAGGSA-N 2 2 262.419 0.599 20 0 CCADLP C[N@H+](CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)[C@@H]1CCOC1 ZINC000496812272 358327803 /nfs/dbraw/zinc/32/78/03/358327803.db2.gz WSVRYXYNASJVHN-HIFRSBDPSA-N 2 2 295.383 0.581 20 0 CCADLP C[N@@H+](CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)[C@@H]1CCOC1 ZINC000496812272 358327810 /nfs/dbraw/zinc/32/78/10/358327810.db2.gz WSVRYXYNASJVHN-HIFRSBDPSA-N 2 2 295.383 0.581 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(c2nc(C)cc(C)n2)CC1 ZINC000516974523 358341141 /nfs/dbraw/zinc/34/11/41/358341141.db2.gz CNCAALYVVNPHGC-OAHLLOKOSA-N 2 2 293.415 0.186 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCN(c2nccs2)CC1 ZINC000562443267 291152187 /nfs/dbraw/zinc/15/21/87/291152187.db2.gz IJSOTJCQYXKZIT-CYBMUJFWSA-N 2 2 298.456 0.968 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCN(c2nccs2)CC1 ZINC000562443267 291152189 /nfs/dbraw/zinc/15/21/89/291152189.db2.gz IJSOTJCQYXKZIT-CYBMUJFWSA-N 2 2 298.456 0.968 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000562443267 291152190 /nfs/dbraw/zinc/15/21/90/291152190.db2.gz IJSOTJCQYXKZIT-CYBMUJFWSA-N 2 2 298.456 0.968 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCN(c2nccs2)CC1 ZINC000562443267 291152191 /nfs/dbraw/zinc/15/21/91/291152191.db2.gz IJSOTJCQYXKZIT-CYBMUJFWSA-N 2 2 298.456 0.968 20 0 CCADLP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366478223 283382435 /nfs/dbraw/zinc/38/24/35/283382435.db2.gz DJGCELLGHKOMLI-JSGCOSHPSA-N 2 2 253.390 0.929 20 0 CCADLP CCCNC(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366478223 283382438 /nfs/dbraw/zinc/38/24/38/283382438.db2.gz DJGCELLGHKOMLI-JSGCOSHPSA-N 2 2 253.390 0.929 20 0 CCADLP CCCNC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366478223 283382441 /nfs/dbraw/zinc/38/24/41/283382441.db2.gz DJGCELLGHKOMLI-JSGCOSHPSA-N 2 2 253.390 0.929 20 0 CCADLP CCCNC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366478223 283382445 /nfs/dbraw/zinc/38/24/45/283382445.db2.gz DJGCELLGHKOMLI-JSGCOSHPSA-N 2 2 253.390 0.929 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]CCN1CC[NH+](C)C(C)(C)C1)C1CC1 ZINC000567701438 358574017 /nfs/dbraw/zinc/57/40/17/358574017.db2.gz CDLXQFGOAHOBRX-HNNXBMFYSA-N 3 2 298.475 0.057 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]CCN1CC[NH+](C)C(C)(C)C1)C1CC1 ZINC000567701438 358574020 /nfs/dbraw/zinc/57/40/20/358574020.db2.gz CDLXQFGOAHOBRX-HNNXBMFYSA-N 3 2 298.475 0.057 20 0 CCADLP C[NH+](C[C@@H](O)C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1)C1CC1 ZINC000567701438 358574022 /nfs/dbraw/zinc/57/40/22/358574022.db2.gz CDLXQFGOAHOBRX-HNNXBMFYSA-N 3 2 298.475 0.057 20 0 CCADLP C[NH+](C[C@@H](O)C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)C1CC1 ZINC000567701438 358574025 /nfs/dbraw/zinc/57/40/25/358574025.db2.gz CDLXQFGOAHOBRX-HNNXBMFYSA-N 3 2 298.475 0.057 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](COC(F)F)C1 ZINC000567748580 358580587 /nfs/dbraw/zinc/58/05/87/358580587.db2.gz YTMPUEHFSJSTFO-VXGBXAGGSA-N 2 2 296.358 0.487 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](COC(F)F)C1 ZINC000567748580 358580589 /nfs/dbraw/zinc/58/05/89/358580589.db2.gz YTMPUEHFSJSTFO-VXGBXAGGSA-N 2 2 296.358 0.487 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000567748580 358580593 /nfs/dbraw/zinc/58/05/93/358580593.db2.gz YTMPUEHFSJSTFO-VXGBXAGGSA-N 2 2 296.358 0.487 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000567748580 358580595 /nfs/dbraw/zinc/58/05/95/358580595.db2.gz YTMPUEHFSJSTFO-VXGBXAGGSA-N 2 2 296.358 0.487 20 0 CCADLP O=C(NCCn1cc[nH+]c1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000567975785 358619826 /nfs/dbraw/zinc/61/98/26/358619826.db2.gz CJBKTFVCGJYPSM-LLVKDONJSA-N 2 2 259.313 0.458 20 0 CCADLP CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000568074836 358630683 /nfs/dbraw/zinc/63/06/83/358630683.db2.gz UXNWGGHMBGONHW-UMSGYPCISA-N 2 2 258.362 0.147 20 0 CCADLP COC[C@@]1(C(=O)NCc2ccn3cc[nH+]c3c2)CC[NH2+]C1 ZINC000567818686 358591204 /nfs/dbraw/zinc/59/12/04/358591204.db2.gz PLRLIVCAMRFRSC-OAHLLOKOSA-N 2 2 288.351 0.577 20 0 CCADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000567826781 358595088 /nfs/dbraw/zinc/59/50/88/358595088.db2.gz PWZGQWBYDWZDQJ-JHJVBQTASA-N 2 2 297.399 0.115 20 0 CCADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000567826781 358595092 /nfs/dbraw/zinc/59/50/92/358595092.db2.gz PWZGQWBYDWZDQJ-JHJVBQTASA-N 2 2 297.399 0.115 20 0 CCADLP CC[C@H](O)CC[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000568391629 358670545 /nfs/dbraw/zinc/67/05/45/358670545.db2.gz HUDZNTGPQMAYCR-MQYQWHSLSA-N 2 2 274.405 0.207 20 0 CCADLP CC[C@H](O)CC[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000568391628 358670552 /nfs/dbraw/zinc/67/05/52/358670552.db2.gz HUDZNTGPQMAYCR-CRWXNKLISA-N 2 2 274.405 0.207 20 0 CCADLP CC[C@H](O)CC[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000568391628 358670554 /nfs/dbraw/zinc/67/05/54/358670554.db2.gz HUDZNTGPQMAYCR-CRWXNKLISA-N 2 2 274.405 0.207 20 0 CCADLP CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000568533957 358685765 /nfs/dbraw/zinc/68/57/65/358685765.db2.gz ZYVXJKLDCCNHFL-RYUDHWBXSA-N 2 2 250.346 0.733 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000568663033 358696164 /nfs/dbraw/zinc/69/61/64/358696164.db2.gz QPNLTVCJQVQYQB-GFCCVEGCSA-N 2 2 296.415 0.896 20 0 CCADLP O=C(C[C@H]1COCC[NH2+]1)Nc1ccc2[nH+]ccn2c1 ZINC000569358186 358757414 /nfs/dbraw/zinc/75/74/14/358757414.db2.gz MSGIMDLELGGRBA-NSHDSACASA-N 2 2 260.297 0.651 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000569469920 358766900 /nfs/dbraw/zinc/76/69/00/358766900.db2.gz APQWQBVUDQFFBV-OCCSQVGLSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000569469920 358766902 /nfs/dbraw/zinc/76/69/02/358766902.db2.gz APQWQBVUDQFFBV-OCCSQVGLSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000569469920 358766904 /nfs/dbraw/zinc/76/69/04/358766904.db2.gz APQWQBVUDQFFBV-OCCSQVGLSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000569469920 358766906 /nfs/dbraw/zinc/76/69/06/358766906.db2.gz APQWQBVUDQFFBV-OCCSQVGLSA-N 2 2 294.399 0.815 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)no1 ZINC000568857363 358710343 /nfs/dbraw/zinc/71/03/43/358710343.db2.gz AZNQXCULKYITKN-MFKMUULPSA-N 2 2 292.383 0.806 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)no1 ZINC000568857363 358710349 /nfs/dbraw/zinc/71/03/49/358710349.db2.gz AZNQXCULKYITKN-MFKMUULPSA-N 2 2 292.383 0.806 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3cccc4c3OCO4)CCN2C1=O ZINC000568902003 358717185 /nfs/dbraw/zinc/71/71/85/358717185.db2.gz QXJJTUJTECPVNF-VXGBXAGGSA-N 2 2 289.335 0.159 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3cccc4c3OCO4)CCN2C1=O ZINC000568902003 358717187 /nfs/dbraw/zinc/71/71/87/358717187.db2.gz QXJJTUJTECPVNF-VXGBXAGGSA-N 2 2 289.335 0.159 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cnn(C)c1C ZINC000569497043 358769025 /nfs/dbraw/zinc/76/90/25/358769025.db2.gz YQMBCXYGJFYXAG-PWSUYJOCSA-N 2 2 254.378 0.692 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cnn(C)c1C ZINC000569497043 358769030 /nfs/dbraw/zinc/76/90/30/358769030.db2.gz YQMBCXYGJFYXAG-PWSUYJOCSA-N 2 2 254.378 0.692 20 0 CCADLP [NH3+]Cc1nc(C(=O)N2CC[NH2+]C[C@@H]2C(F)F)cs1 ZINC000569122572 358737570 /nfs/dbraw/zinc/73/75/70/358737570.db2.gz GLGMYFCERSNAAK-SSDOTTSWSA-N 2 2 276.312 0.281 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000569986966 358812436 /nfs/dbraw/zinc/81/24/36/358812436.db2.gz LLEKQXWNVJENEE-QWHCGFSZSA-N 2 2 296.415 0.797 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000569986966 358812441 /nfs/dbraw/zinc/81/24/41/358812441.db2.gz LLEKQXWNVJENEE-QWHCGFSZSA-N 2 2 296.415 0.797 20 0 CCADLP CCc1nc(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cs1 ZINC000569691495 358784739 /nfs/dbraw/zinc/78/47/39/358784739.db2.gz MJQBDZOWYNJBEA-LLVKDONJSA-N 2 2 282.413 0.349 20 0 CCADLP CCc1nc(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cs1 ZINC000569691495 358784742 /nfs/dbraw/zinc/78/47/42/358784742.db2.gz MJQBDZOWYNJBEA-LLVKDONJSA-N 2 2 282.413 0.349 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000569707760 358786535 /nfs/dbraw/zinc/78/65/35/358786535.db2.gz LBBGNMCEZLFIOY-ZIAGYGMSSA-N 2 2 295.427 0.650 20 0 CCADLP CN(C)c1ccc(CNC(=O)NCC2CC[NH2+]CC2)c[nH+]1 ZINC000569819979 358796336 /nfs/dbraw/zinc/79/63/36/358796336.db2.gz ZDBFAUAFDQWWKZ-UHFFFAOYSA-N 2 2 291.399 0.946 20 0 CCADLP CC[C@H](O)C[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CC(C)C2)CC1 ZINC000569864754 358800871 /nfs/dbraw/zinc/80/08/71/358800871.db2.gz QSJMJBXOZBARLB-KGLIPLIRSA-N 2 2 283.416 0.242 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000570526850 358867430 /nfs/dbraw/zinc/86/74/30/358867430.db2.gz CTMBLBOMBBBDPV-CHWSQXEVSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000570526850 358867433 /nfs/dbraw/zinc/86/74/33/358867433.db2.gz CTMBLBOMBBBDPV-CHWSQXEVSA-N 2 2 294.399 0.551 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NCCCC[NH+]1CCOCC1 ZINC000620412550 366493708 /nfs/dbraw/zinc/49/37/08/366493708.db2.gz KFCQDPULPCIINQ-UHFFFAOYSA-N 2 2 294.399 0.892 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)NCC1CC[NH2+]CC1 ZINC000570424243 358855882 /nfs/dbraw/zinc/85/58/82/358855882.db2.gz RSLQSIHCQQCJNX-UHFFFAOYSA-N 2 2 291.399 0.946 20 0 CCADLP C[N@@H+]1CCN(C(=O)Nc2cc(Cl)ccn2)[C@@H](C[NH3+])C1 ZINC000570423509 358856308 /nfs/dbraw/zinc/85/63/08/358856308.db2.gz PUZRUDJDUMPCDS-JTQLQIEISA-N 2 2 283.763 0.842 20 0 CCADLP C[N@H+]1CCN(C(=O)Nc2cc(Cl)ccn2)[C@@H](C[NH3+])C1 ZINC000570423509 358856314 /nfs/dbraw/zinc/85/63/14/358856314.db2.gz PUZRUDJDUMPCDS-JTQLQIEISA-N 2 2 283.763 0.842 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000570444019 358857170 /nfs/dbraw/zinc/85/71/70/358857170.db2.gz IXZKZLDIJQPVNJ-VIRABCJISA-N 2 2 286.416 0.471 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000570444019 358857176 /nfs/dbraw/zinc/85/71/76/358857176.db2.gz IXZKZLDIJQPVNJ-VIRABCJISA-N 2 2 286.416 0.471 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2CCCCC[NH2+]2)CCO1 ZINC000570685554 358884794 /nfs/dbraw/zinc/88/47/94/358884794.db2.gz SGNHEQLIIVGBDU-STQMWFEESA-N 2 2 269.389 0.356 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CCCCC[NH2+]2)CCO1 ZINC000570685554 358884795 /nfs/dbraw/zinc/88/47/95/358884795.db2.gz SGNHEQLIIVGBDU-STQMWFEESA-N 2 2 269.389 0.356 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2ccc3c(c2)CCC3)[C@@H](C[NH3+])C1 ZINC000570716757 358888241 /nfs/dbraw/zinc/88/82/41/358888241.db2.gz URXWTQBGJIWYJD-INIZCTEOSA-N 2 2 287.407 0.819 20 0 CCADLP C[C@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC[NH2+]1 ZINC000570715519 358888592 /nfs/dbraw/zinc/88/85/92/358888592.db2.gz HKNJLYUPSLPZGE-NSHDSACASA-N 2 2 271.324 0.701 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCc2ccc(F)cc2F)[C@H](C[NH3+])C1 ZINC000570804980 358896952 /nfs/dbraw/zinc/89/69/52/358896952.db2.gz IUPVPAPOJHEPNH-CYBMUJFWSA-N 2 2 297.349 0.999 20 0 CCADLP C[N@H+]1CCN(C(=O)CCc2ccc(F)cc2F)[C@H](C[NH3+])C1 ZINC000570804980 358896956 /nfs/dbraw/zinc/89/69/56/358896956.db2.gz IUPVPAPOJHEPNH-CYBMUJFWSA-N 2 2 297.349 0.999 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)N[C@H]2CC[NH+](CC)C2)CCO1 ZINC000562728196 291165584 /nfs/dbraw/zinc/16/55/84/291165584.db2.gz GNEIWGOZMKCMHB-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)N[C@H]2CC[NH+](CC)C2)CCO1 ZINC000562728196 291165586 /nfs/dbraw/zinc/16/55/86/291165586.db2.gz GNEIWGOZMKCMHB-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H]1C[NH+](CCNC(=O)N[C@H]2CC[N@H+](CC)C2)CCO1 ZINC000562728196 291165589 /nfs/dbraw/zinc/16/55/89/291165589.db2.gz GNEIWGOZMKCMHB-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H]1C[NH+](CCNC(=O)N[C@H]2CC[N@@H+](CC)C2)CCO1 ZINC000562728196 291165591 /nfs/dbraw/zinc/16/55/91/291165591.db2.gz GNEIWGOZMKCMHB-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H](C(=O)N[C@@H](C)C[NH+](C)C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000570994259 358902994 /nfs/dbraw/zinc/90/29/94/358902994.db2.gz DMHAMCDRSUHJQJ-IHRRRGAJSA-N 2 2 285.432 0.942 20 0 CCADLP CC[C@@H](C(=O)N[C@@H](C)C[NH+](C)C)[N@H+]1CCO[C@@H](CC)C1 ZINC000570994259 358902997 /nfs/dbraw/zinc/90/29/97/358902997.db2.gz DMHAMCDRSUHJQJ-IHRRRGAJSA-N 2 2 285.432 0.942 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)CCC1CCOCC1 ZINC000573401080 358964297 /nfs/dbraw/zinc/96/42/97/358964297.db2.gz RKJQTAKZNOURHK-HNNXBMFYSA-N 2 2 288.432 0.674 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)CCC1CCOCC1 ZINC000573401080 358964301 /nfs/dbraw/zinc/96/43/01/358964301.db2.gz RKJQTAKZNOURHK-HNNXBMFYSA-N 2 2 288.432 0.674 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)CCC1CCOCC1 ZINC000573401080 358964305 /nfs/dbraw/zinc/96/43/05/358964305.db2.gz RKJQTAKZNOURHK-HNNXBMFYSA-N 2 2 288.432 0.674 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)CCC1CCOCC1 ZINC000573401080 358964308 /nfs/dbraw/zinc/96/43/08/358964308.db2.gz RKJQTAKZNOURHK-HNNXBMFYSA-N 2 2 288.432 0.674 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H](CO)c1ccccc1 ZINC000573502920 358973460 /nfs/dbraw/zinc/97/34/60/358973460.db2.gz IPAVMWLDPIKRAB-LSDHHAIUSA-N 2 2 266.385 0.964 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](CO)c1ccccc1 ZINC000573502920 358973463 /nfs/dbraw/zinc/97/34/63/358973463.db2.gz IPAVMWLDPIKRAB-LSDHHAIUSA-N 2 2 266.385 0.964 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H](CO)c1ccccc1 ZINC000573502920 358973467 /nfs/dbraw/zinc/97/34/67/358973467.db2.gz IPAVMWLDPIKRAB-LSDHHAIUSA-N 2 2 266.385 0.964 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](CO)c1ccccc1 ZINC000573502920 358973469 /nfs/dbraw/zinc/97/34/69/358973469.db2.gz IPAVMWLDPIKRAB-LSDHHAIUSA-N 2 2 266.385 0.964 20 0 CCADLP CSC[C@H](C)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000571197970 358922101 /nfs/dbraw/zinc/92/21/01/358922101.db2.gz CCCYBGPBKSGXKI-WUHRBBMRSA-N 2 2 276.446 0.798 20 0 CCADLP CSC[C@H](C)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000571197970 358922104 /nfs/dbraw/zinc/92/21/04/358922104.db2.gz CCCYBGPBKSGXKI-WUHRBBMRSA-N 2 2 276.446 0.798 20 0 CCADLP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+](C)C)cc1 ZINC000573090913 358936082 /nfs/dbraw/zinc/93/60/82/358936082.db2.gz OYWNQHRAMFOFKS-KGLIPLIRSA-N 2 2 282.384 0.247 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000574053498 359025092 /nfs/dbraw/zinc/02/50/92/359025092.db2.gz MLIPETPKLJOSDH-AGIUHOORSA-N 3 2 268.405 0.186 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000574053498 359025099 /nfs/dbraw/zinc/02/50/99/359025099.db2.gz MLIPETPKLJOSDH-AGIUHOORSA-N 3 2 268.405 0.186 20 0 CCADLP C[C@H](CC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)n1cc[nH+]c1 ZINC000574162460 359034422 /nfs/dbraw/zinc/03/44/22/359034422.db2.gz KJEPETGCASIRMC-FRRDWIJNSA-N 2 2 262.357 0.997 20 0 CCADLP C[C@H](CC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)n1cc[nH+]c1 ZINC000574162460 359034427 /nfs/dbraw/zinc/03/44/27/359034427.db2.gz KJEPETGCASIRMC-FRRDWIJNSA-N 2 2 262.357 0.997 20 0 CCADLP CS[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1[NH+](C)C ZINC000573634956 358985667 /nfs/dbraw/zinc/98/56/67/358985667.db2.gz CMRAJOBXROREEQ-NWDGAFQWSA-N 2 2 282.413 0.467 20 0 CCADLP CS[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH+](C)C ZINC000573634955 358985880 /nfs/dbraw/zinc/98/58/80/358985880.db2.gz CMRAJOBXROREEQ-NEPJUHHUSA-N 2 2 282.413 0.467 20 0 CCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000562788950 291167698 /nfs/dbraw/zinc/16/76/98/291167698.db2.gz COEHVUUHYWNYJR-KGLIPLIRSA-N 3 2 297.447 0.145 20 0 CCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000562788950 291167700 /nfs/dbraw/zinc/16/77/00/291167700.db2.gz COEHVUUHYWNYJR-KGLIPLIRSA-N 3 2 297.447 0.145 20 0 CCADLP CN(C(=O)[C@H]([NH3+])c1c(F)cccc1F)[C@H]1CC[NH2+]C1 ZINC000562805427 291167849 /nfs/dbraw/zinc/16/78/49/291167849.db2.gz UDRUENVJLQHETP-QPUJVOFHSA-N 2 2 269.295 0.785 20 0 CCADLP COc1cc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)ccn1 ZINC000579971716 359071657 /nfs/dbraw/zinc/07/16/57/359071657.db2.gz GTPXSHGPPGCGIF-TZMCWYRMSA-N 2 2 278.400 0.987 20 0 CCADLP COc1cc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)ccn1 ZINC000579971716 359071665 /nfs/dbraw/zinc/07/16/65/359071665.db2.gz GTPXSHGPPGCGIF-TZMCWYRMSA-N 2 2 278.400 0.987 20 0 CCADLP C[C@](O)(C[NH2+]C[C@H](O)C[NH+]1CCCCC1)C(F)(F)F ZINC000580774583 359092832 /nfs/dbraw/zinc/09/28/32/359092832.db2.gz VXKIOUWMQUAVIM-QWRGUYRKSA-N 2 2 284.322 0.736 20 0 CCADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCNS(=O)(=O)c1ccccc1 ZINC000580841563 359099750 /nfs/dbraw/zinc/09/97/50/359099750.db2.gz TWBOWPIOKDRZLW-STQMWFEESA-N 2 2 297.424 0.777 20 0 CCADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCNS(=O)(=O)c1ccccc1 ZINC000580841563 359099755 /nfs/dbraw/zinc/09/97/55/359099755.db2.gz TWBOWPIOKDRZLW-STQMWFEESA-N 2 2 297.424 0.777 20 0 CCADLP Cc1ccc([C@H]([NH3+])C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)cc1 ZINC000580894567 359106589 /nfs/dbraw/zinc/10/65/89/359106589.db2.gz GENUUKPKNLNOCW-ZFWWWQNUSA-N 2 2 291.395 0.832 20 0 CCADLP Cc1ccc([C@H]([NH3+])C(=O)NCC[N@H+]2CCO[C@@H](C)C2)cc1 ZINC000580894567 359106596 /nfs/dbraw/zinc/10/65/96/359106596.db2.gz GENUUKPKNLNOCW-ZFWWWQNUSA-N 2 2 291.395 0.832 20 0 CCADLP CNC(=O)Cc1nc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cs1 ZINC000584616273 359181390 /nfs/dbraw/zinc/18/13/90/359181390.db2.gz IUVIHLGTFRKGFS-QWRGUYRKSA-N 2 2 296.440 0.848 20 0 CCADLP CNC(=O)Cc1nc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cs1 ZINC000584616273 359181392 /nfs/dbraw/zinc/18/13/92/359181392.db2.gz IUVIHLGTFRKGFS-QWRGUYRKSA-N 2 2 296.440 0.848 20 0 CCADLP C[C@@H](CC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)n1cc[nH+]c1 ZINC000582306722 359133067 /nfs/dbraw/zinc/13/30/67/359133067.db2.gz BLYBLMXKEGNQEV-KBPBESRZSA-N 2 2 294.399 0.797 20 0 CCADLP C[C@@H](CC(=O)NC[C@@H]1CCC[N@H+]1CCCO)n1cc[nH+]c1 ZINC000582306722 359133071 /nfs/dbraw/zinc/13/30/71/359133071.db2.gz BLYBLMXKEGNQEV-KBPBESRZSA-N 2 2 294.399 0.797 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)[C@H](C[NH3+])C1 ZINC000582350588 359136156 /nfs/dbraw/zinc/13/61/56/359136156.db2.gz YEXKTQBHJDBQEN-MGPQQGTHSA-N 3 2 297.447 0.036 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)[C@H](C[NH3+])C1 ZINC000582350588 359136161 /nfs/dbraw/zinc/13/61/61/359136161.db2.gz YEXKTQBHJDBQEN-MGPQQGTHSA-N 3 2 297.447 0.036 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2cscn2)C[C@@]1(C)C[NH3+] ZINC000582419979 359146616 /nfs/dbraw/zinc/14/66/16/359146616.db2.gz UONKEDBPXFQXSQ-UBHAPETDSA-N 2 2 268.386 0.586 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCN1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000584788523 359206389 /nfs/dbraw/zinc/20/63/89/359206389.db2.gz NKHBEXYLIQYDRS-QLFBSQMISA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCN1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000584788523 359206393 /nfs/dbraw/zinc/20/63/93/359206393.db2.gz NKHBEXYLIQYDRS-QLFBSQMISA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000584788523 359206395 /nfs/dbraw/zinc/20/63/95/359206395.db2.gz NKHBEXYLIQYDRS-QLFBSQMISA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000584788523 359206398 /nfs/dbraw/zinc/20/63/98/359206398.db2.gz NKHBEXYLIQYDRS-QLFBSQMISA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1COCCN1CC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000584788523 359206401 /nfs/dbraw/zinc/20/64/01/359206401.db2.gz NKHBEXYLIQYDRS-QLFBSQMISA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1COCCN1CC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000584788523 359206404 /nfs/dbraw/zinc/20/64/04/359206404.db2.gz NKHBEXYLIQYDRS-QLFBSQMISA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1COCCN1CC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000584788523 359206406 /nfs/dbraw/zinc/20/64/06/359206406.db2.gz NKHBEXYLIQYDRS-QLFBSQMISA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1COCCN1CC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000584788523 359206410 /nfs/dbraw/zinc/20/64/10/359206410.db2.gz NKHBEXYLIQYDRS-QLFBSQMISA-N 2 2 267.417 0.876 20 0 CCADLP COC(=O)c1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cn1C ZINC000589167670 359364022 /nfs/dbraw/zinc/36/40/22/359364022.db2.gz MSVRXLRWIMDKJH-VXGBXAGGSA-N 2 2 263.341 0.463 20 0 CCADLP C[NH+](C)C/C=C\C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000492227896 237109391 /nfs/dbraw/zinc/10/93/91/237109391.db2.gz WTBPIRVRUQGMKQ-SCXUMTSISA-N 2 2 274.368 0.894 20 0 CCADLP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)N1CCOCC1 ZINC000591081437 359556601 /nfs/dbraw/zinc/55/66/01/359556601.db2.gz BLQJUOVSQQNLQG-ZDUSSCGKSA-N 2 2 278.356 0.379 20 0 CCADLP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)N1CCOCC1 ZINC000591081437 359556606 /nfs/dbraw/zinc/55/66/06/359556606.db2.gz BLQJUOVSQQNLQG-ZDUSSCGKSA-N 2 2 278.356 0.379 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)CCCn2cc[nH+]c2)CCO1 ZINC000591177005 359567011 /nfs/dbraw/zinc/56/70/11/359567011.db2.gz IVYKMJPGRPSVDQ-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)CCCn2cc[nH+]c2)CCO1 ZINC000591177005 359567014 /nfs/dbraw/zinc/56/70/14/359567014.db2.gz IVYKMJPGRPSVDQ-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000591422899 359588772 /nfs/dbraw/zinc/58/87/72/359588772.db2.gz ZCUQKSKLXQXMGU-CQSZACIVSA-N 2 2 288.395 0.678 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000591422899 359588774 /nfs/dbraw/zinc/58/87/74/359588774.db2.gz ZCUQKSKLXQXMGU-CQSZACIVSA-N 2 2 288.395 0.678 20 0 CCADLP C[C@H](NC(=O)N[C@H]1CCC[N@H+](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000591571226 359599855 /nfs/dbraw/zinc/59/98/55/359599855.db2.gz FQNVRHDUQUNPDZ-IHRRRGAJSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](NC(=O)N[C@H]1CCC[N@@H+](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000591571226 359599858 /nfs/dbraw/zinc/59/98/58/359599858.db2.gz FQNVRHDUQUNPDZ-IHRRRGAJSA-N 2 2 298.431 0.489 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000591563313 359599895 /nfs/dbraw/zinc/59/98/95/359599895.db2.gz QNMRYZJNXAIWGJ-LLVKDONJSA-N 2 2 282.388 0.437 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)NC[C@H]1CCCO1 ZINC000591915798 359693418 /nfs/dbraw/zinc/69/34/18/359693418.db2.gz RABIOPBRUDRPRW-ZIAGYGMSSA-N 2 2 292.383 0.815 20 0 CCADLP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)NC[C@H]1CCCO1 ZINC000591915798 359693421 /nfs/dbraw/zinc/69/34/21/359693421.db2.gz RABIOPBRUDRPRW-ZIAGYGMSSA-N 2 2 292.383 0.815 20 0 CCADLP Cn1cc(CCC[N@H+](CCO)C2CC[NH+](C)CC2)cn1 ZINC000591923248 359702331 /nfs/dbraw/zinc/70/23/31/359702331.db2.gz XFLMTZWLHAWCBK-UHFFFAOYSA-N 2 2 280.416 0.741 20 0 CCADLP Cn1cc(CCC[N@@H+](CCO)C2CC[NH+](C)CC2)cn1 ZINC000591923248 359702334 /nfs/dbraw/zinc/70/23/34/359702334.db2.gz XFLMTZWLHAWCBK-UHFFFAOYSA-N 2 2 280.416 0.741 20 0 CCADLP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ncc[nH]2)CC1 ZINC000329285948 202267219 /nfs/dbraw/zinc/26/72/19/202267219.db2.gz PBIMJBCIUZMONR-OLZOCXBDSA-N 2 2 264.373 0.877 20 0 CCADLP O[C@H]1CCC[C@H]1[NH+]1CCC(NCc2[nH]cc[nH+]2)CC1 ZINC000329285948 202267223 /nfs/dbraw/zinc/26/72/23/202267223.db2.gz PBIMJBCIUZMONR-OLZOCXBDSA-N 2 2 264.373 0.877 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000493083848 237387513 /nfs/dbraw/zinc/38/75/13/237387513.db2.gz AKKOWWAQENWIAU-QSKOYVBTSA-N 2 2 278.356 0.336 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000493083848 237387522 /nfs/dbraw/zinc/38/75/22/237387522.db2.gz AKKOWWAQENWIAU-QSKOYVBTSA-N 2 2 278.356 0.336 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[NH2+]C[C@@H]2c2nccn2C)CCO1 ZINC000563150050 291199755 /nfs/dbraw/zinc/19/97/55/291199755.db2.gz WWSHVFFXXUXHBY-ZIAGYGMSSA-N 2 2 293.415 0.087 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[NH2+]C[C@@H]2c2nccn2C)CCO1 ZINC000563150050 291199758 /nfs/dbraw/zinc/19/97/58/291199758.db2.gz WWSHVFFXXUXHBY-ZIAGYGMSSA-N 2 2 293.415 0.087 20 0 CCADLP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000620622952 366548726 /nfs/dbraw/zinc/54/87/26/366548726.db2.gz BAADNVGSPQXYKA-GFCCVEGCSA-N 2 2 271.405 0.554 20 0 CCADLP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H]1C[NH+](C)CCO1 ZINC000620622952 366548729 /nfs/dbraw/zinc/54/87/29/366548729.db2.gz BAADNVGSPQXYKA-GFCCVEGCSA-N 2 2 271.405 0.554 20 0 CCADLP CCC[NH+](C)CC(C)(C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000620622952 366548732 /nfs/dbraw/zinc/54/87/32/366548732.db2.gz BAADNVGSPQXYKA-GFCCVEGCSA-N 2 2 271.405 0.554 20 0 CCADLP CCC[NH+](C)CC(C)(C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000620622952 366548739 /nfs/dbraw/zinc/54/87/39/366548739.db2.gz BAADNVGSPQXYKA-GFCCVEGCSA-N 2 2 271.405 0.554 20 0 CCADLP CC(C)[C@@H](C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[NH+](C)C ZINC000592433721 359839485 /nfs/dbraw/zinc/83/94/85/359839485.db2.gz PRTMDVOCSUZESR-GJZGRUSLSA-N 2 2 297.443 0.896 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000592486557 359853364 /nfs/dbraw/zinc/85/33/64/359853364.db2.gz KRIUKMZHSVQENG-HNNXBMFYSA-N 2 2 296.415 0.686 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000592486557 359853369 /nfs/dbraw/zinc/85/33/69/359853369.db2.gz KRIUKMZHSVQENG-HNNXBMFYSA-N 2 2 296.415 0.686 20 0 CCADLP CCCCNC(=O)NC(=O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000592484893 359853383 /nfs/dbraw/zinc/85/33/83/359853383.db2.gz GZALVELDYWQZNE-UHFFFAOYSA-N 2 2 270.377 0.426 20 0 CCADLP CCOC[C@H](C(=O)OC)[N@H+](C)CCn1cc[nH+]c1 ZINC000611225225 363687402 /nfs/dbraw/zinc/68/74/02/363687402.db2.gz WNUOMYJNJPIGRO-LLVKDONJSA-N 2 2 255.318 0.393 20 0 CCADLP CCOC[C@H](C(=O)OC)[N@@H+](C)CCn1cc[nH+]c1 ZINC000611225225 363687411 /nfs/dbraw/zinc/68/74/11/363687411.db2.gz WNUOMYJNJPIGRO-LLVKDONJSA-N 2 2 255.318 0.393 20 0 CCADLP C[C@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423112863 299302532 /nfs/dbraw/zinc/30/25/32/299302532.db2.gz SNYPYOPMXRHXHP-SDDRHHMPSA-N 2 2 295.349 0.980 20 0 CCADLP CC(C)[C@H]1CN(C(=O)C2([NH+]3CCOCC3)CCC2)CC[NH2+]1 ZINC000621155918 366655593 /nfs/dbraw/zinc/65/55/93/366655593.db2.gz OVJPKZDWVVCIIA-CQSZACIVSA-N 2 2 295.427 0.698 20 0 CCADLP Cc1cc(C[NH+]2CCN(C(=O)C[NH+](C)C)CC2)ccn1 ZINC000621246465 366676922 /nfs/dbraw/zinc/67/69/22/366676922.db2.gz CNOQDBWAVIEDLF-UHFFFAOYSA-N 2 2 276.384 0.596 20 0 CCADLP CC(C)[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[NH2+]1 ZINC000621157302 366658048 /nfs/dbraw/zinc/65/80/48/366658048.db2.gz STGKAJIOYCMYFI-GFCCVEGCSA-N 2 2 250.346 0.419 20 0 CCADLP COC[C@@](C)(CC(=O)OC)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000593018175 360015009 /nfs/dbraw/zinc/01/50/09/360015009.db2.gz LQFMZSMWQOXTHU-DGCLKSJQSA-N 2 2 258.362 0.638 20 0 CCADLP COC[C@@](C)(CC(=O)OC)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000593018175 360015011 /nfs/dbraw/zinc/01/50/11/360015011.db2.gz LQFMZSMWQOXTHU-DGCLKSJQSA-N 2 2 258.362 0.638 20 0 CCADLP COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593905981 360203098 /nfs/dbraw/zinc/20/30/98/360203098.db2.gz FMZPRBZOYQHYPR-LPWJVIDDSA-N 2 2 297.399 0.066 20 0 CCADLP COC(=O)CCN(CC(C)C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593907460 360204245 /nfs/dbraw/zinc/20/42/45/360204245.db2.gz PGQYOBVOYUXZFW-LBPRGKRZSA-N 2 2 287.404 0.313 20 0 CCADLP CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000593907505 360204319 /nfs/dbraw/zinc/20/43/19/360204319.db2.gz QVZIZRHPAOWXKL-VXGBXAGGSA-N 2 2 285.388 0.067 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000593908152 360205458 /nfs/dbraw/zinc/20/54/58/360205458.db2.gz BNLRWXWBKROKPB-GRYCIOLGSA-N 2 2 285.388 0.113 20 0 CCADLP COC(=O)C1(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)CCCCC1 ZINC000593907774 360205627 /nfs/dbraw/zinc/20/56/27/360205627.db2.gz UYUHQEZCWLEUQQ-LBPRGKRZSA-N 2 2 299.415 0.505 20 0 CCADLP Cc1cccc2ncc(C[N@@H+]3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)n21 ZINC000594736955 360370552 /nfs/dbraw/zinc/37/05/52/360370552.db2.gz UNTYVWMZRMEOFE-TZMCWYRMSA-N 2 2 299.378 0.387 20 0 CCADLP Cc1cccc2ncc(C[N@H+]3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)n21 ZINC000594736955 360370562 /nfs/dbraw/zinc/37/05/62/360370562.db2.gz UNTYVWMZRMEOFE-TZMCWYRMSA-N 2 2 299.378 0.387 20 0 CCADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC000594740995 360371894 /nfs/dbraw/zinc/37/18/94/360371894.db2.gz VTMMGZJBJFZKAT-GFCCVEGCSA-N 2 2 282.388 0.391 20 0 CCADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC000594740995 360371901 /nfs/dbraw/zinc/37/19/01/360371901.db2.gz VTMMGZJBJFZKAT-GFCCVEGCSA-N 2 2 282.388 0.391 20 0 CCADLP C[C@H]1C[NH2+]CCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000178499293 189121363 /nfs/dbraw/zinc/12/13/63/189121363.db2.gz QAHWVPFYZPESLZ-NSHDSACASA-N 2 2 271.324 0.701 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000563529878 291234989 /nfs/dbraw/zinc/23/49/89/291234989.db2.gz KBBCBSCAUUVOQW-HOTGVXAUSA-N 2 2 277.412 0.425 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000563529878 291234990 /nfs/dbraw/zinc/23/49/90/291234990.db2.gz KBBCBSCAUUVOQW-HOTGVXAUSA-N 2 2 277.412 0.425 20 0 CCADLP CSCC[C@H]([NH3+])C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000595940773 360716861 /nfs/dbraw/zinc/71/68/61/360716861.db2.gz VWFVPCRIJRMOPY-SRVKXCTJSA-N 2 2 289.445 0.292 20 0 CCADLP CN(CCCN1CC[NH+](C)CC1)C(=O)C[NH+]1CC(C)(C)C1 ZINC000563547582 291237268 /nfs/dbraw/zinc/23/72/68/291237268.db2.gz WZGZHAAYDAFYRN-UHFFFAOYSA-N 2 2 296.459 0.424 20 0 CCADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)C[NH+]1CC(C)(C)C1 ZINC000563547582 291237271 /nfs/dbraw/zinc/23/72/71/291237271.db2.gz WZGZHAAYDAFYRN-UHFFFAOYSA-N 2 2 296.459 0.424 20 0 CCADLP O=C(NC[C@@H]1CCC[NH2+]1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000178777354 189145042 /nfs/dbraw/zinc/14/50/42/189145042.db2.gz PIQVKVAMPJHCRV-LBPRGKRZSA-N 2 2 271.324 0.749 20 0 CCADLP CCOC(=O)CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000563545256 291237368 /nfs/dbraw/zinc/23/73/68/291237368.db2.gz KBRBDTVBIXZWEQ-UHFFFAOYSA-N 2 2 252.318 0.485 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCCC2(C)C)[C@@H](C[NH3+])C1 ZINC000563588508 291239018 /nfs/dbraw/zinc/23/90/18/291239018.db2.gz ASTDIIRXFBSYBY-NWDGAFQWSA-N 2 2 268.405 0.849 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCCC2(C)C)[C@@H](C[NH3+])C1 ZINC000563588508 291239020 /nfs/dbraw/zinc/23/90/20/291239020.db2.gz ASTDIIRXFBSYBY-NWDGAFQWSA-N 2 2 268.405 0.849 20 0 CCADLP C[C@H]1OCC[C@]12C[N@H+](C[C@H](O)C[NH+](C)C1CC1)C[C@@H](C)O2 ZINC000352369519 291239199 /nfs/dbraw/zinc/23/91/99/291239199.db2.gz QPTSUHLTIZNAJJ-XOUADPBQSA-N 2 2 298.427 0.710 20 0 CCADLP C[C@H]1OCC[C@]12C[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C[C@@H](C)O2 ZINC000352369519 291239202 /nfs/dbraw/zinc/23/92/02/291239202.db2.gz QPTSUHLTIZNAJJ-XOUADPBQSA-N 2 2 298.427 0.710 20 0 CCADLP C[C@H]1OCC[C@]12C[NH+](C[C@H](O)C[N@H+](C)C1CC1)C[C@@H](C)O2 ZINC000352369519 291239206 /nfs/dbraw/zinc/23/92/06/291239206.db2.gz QPTSUHLTIZNAJJ-XOUADPBQSA-N 2 2 298.427 0.710 20 0 CCADLP C[C@H]1OCC[C@]12C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C[C@@H](C)O2 ZINC000352369519 291239208 /nfs/dbraw/zinc/23/92/08/291239208.db2.gz QPTSUHLTIZNAJJ-XOUADPBQSA-N 2 2 298.427 0.710 20 0 CCADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[N@@H+](C2CC2)C1 ZINC000563597466 291240373 /nfs/dbraw/zinc/24/03/73/291240373.db2.gz LVYGBUGNBODWAG-GFCCVEGCSA-N 2 2 262.357 0.826 20 0 CCADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[N@H+](C2CC2)C1 ZINC000563597466 291240378 /nfs/dbraw/zinc/24/03/78/291240378.db2.gz LVYGBUGNBODWAG-GFCCVEGCSA-N 2 2 262.357 0.826 20 0 CCADLP CCC[C@@H]1C(=O)NCC[N@H+]1CCCn1cc[nH+]c1 ZINC000179654761 189210314 /nfs/dbraw/zinc/21/03/14/189210314.db2.gz IKLGDGFRGJBIIK-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP CCC[C@@H]1C(=O)NCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000179654761 189210315 /nfs/dbraw/zinc/21/03/15/189210315.db2.gz IKLGDGFRGJBIIK-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP C[C@H](C(=O)N1CCN(c2[nH+]ccn2C)CC1)[NH+]1CC(C)C1 ZINC000563718808 291248710 /nfs/dbraw/zinc/24/87/10/291248710.db2.gz VRNZJLUTRSXIFB-CYBMUJFWSA-N 2 2 291.399 0.409 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H]2CCC(=O)N2)CC1 ZINC000597224039 361034286 /nfs/dbraw/zinc/03/42/86/361034286.db2.gz CBKJRXJEVRQWIO-ZDUSSCGKSA-N 2 2 297.399 0.272 20 0 CCADLP Cc1cc(C)c(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)c(C)n1 ZINC000631820508 370685756 /nfs/dbraw/zinc/68/57/56/370685756.db2.gz BDTQXYMCFZOZFG-UHFFFAOYSA-N 2 2 290.411 0.870 20 0 CCADLP Cc1cc(C)c(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c(C)n1 ZINC000631820508 370685765 /nfs/dbraw/zinc/68/57/65/370685765.db2.gz BDTQXYMCFZOZFG-UHFFFAOYSA-N 2 2 290.411 0.870 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000631823274 370688603 /nfs/dbraw/zinc/68/86/03/370688603.db2.gz AGXQDVXQLBMDPM-KBPBESRZSA-N 2 2 281.400 0.452 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000631823274 370688607 /nfs/dbraw/zinc/68/86/07/370688607.db2.gz AGXQDVXQLBMDPM-KBPBESRZSA-N 2 2 281.400 0.452 20 0 CCADLP O=C([C@@H]1CC[NH2+]C1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000237947299 296037250 /nfs/dbraw/zinc/03/72/50/296037250.db2.gz CSHZTCHUQXISLX-KGLIPLIRSA-N 2 2 281.400 0.309 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000564139733 291267608 /nfs/dbraw/zinc/26/76/08/291267608.db2.gz DGWDKYGEJBFPSA-KBPBESRZSA-N 2 2 292.383 0.643 20 0 CCADLP Cc1cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)ccn1 ZINC000598680373 361479030 /nfs/dbraw/zinc/47/90/30/361479030.db2.gz ADVKAHRYWCHLBG-OLZOCXBDSA-N 2 2 260.341 0.134 20 0 CCADLP Cc1cc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)ccn1 ZINC000598680373 361479036 /nfs/dbraw/zinc/47/90/36/361479036.db2.gz ADVKAHRYWCHLBG-OLZOCXBDSA-N 2 2 260.341 0.134 20 0 CCADLP COCC[NH2+]C1CC[NH+]([C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000631829787 370695715 /nfs/dbraw/zinc/69/57/15/370695715.db2.gz ZQYFUCIJUHTGIK-HNNXBMFYSA-N 2 2 295.427 0.840 20 0 CCADLP Cn1cc([C@@H]2C[N@@H+](C[C@@H]3CCCCO3)C[C@H]2[NH3+])cn1 ZINC000631829155 370696006 /nfs/dbraw/zinc/69/60/06/370696006.db2.gz IQMBJKSIGOWFJP-MELADBBJSA-N 2 2 264.373 0.716 20 0 CCADLP CC[C@@H](Cn1cncn1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000564438899 291279313 /nfs/dbraw/zinc/27/93/13/291279313.db2.gz MLUUUPPUZIANBH-RYUDHWBXSA-N 2 2 260.345 0.858 20 0 CCADLP Cn1cc([C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@H]2[NH3+])cn1 ZINC000631829155 370696000 /nfs/dbraw/zinc/69/60/00/370696000.db2.gz IQMBJKSIGOWFJP-MELADBBJSA-N 2 2 264.373 0.716 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000599313535 361648378 /nfs/dbraw/zinc/64/83/78/361648378.db2.gz CRTIKGCPRAFURV-AGIUHOORSA-N 2 2 272.389 0.715 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000599313535 361648382 /nfs/dbraw/zinc/64/83/82/361648382.db2.gz CRTIKGCPRAFURV-AGIUHOORSA-N 2 2 272.389 0.715 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000599313535 361648386 /nfs/dbraw/zinc/64/83/86/361648386.db2.gz CRTIKGCPRAFURV-AGIUHOORSA-N 2 2 272.389 0.715 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000599313535 361648391 /nfs/dbraw/zinc/64/83/91/361648391.db2.gz CRTIKGCPRAFURV-AGIUHOORSA-N 2 2 272.389 0.715 20 0 CCADLP C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1CC[N@@H+]1CCCOCC1 ZINC000361382826 291284033 /nfs/dbraw/zinc/28/40/33/291284033.db2.gz XQVKYGBCLFBIJA-HOTGVXAUSA-N 2 2 297.443 0.504 20 0 CCADLP C[C@H]1[C@@H]([NH+]2CCOCC2)CCN1CC[N@H+]1CCCOCC1 ZINC000361382826 291284037 /nfs/dbraw/zinc/28/40/37/291284037.db2.gz XQVKYGBCLFBIJA-HOTGVXAUSA-N 2 2 297.443 0.504 20 0 CCADLP CO[C@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C1CCC1 ZINC000611974525 363820162 /nfs/dbraw/zinc/82/01/62/363820162.db2.gz QTIZXLZROHHGBA-HNNXBMFYSA-N 2 2 297.443 0.944 20 0 CCADLP COCC[NH2+]C1CC[NH+](Cc2nccnc2C)CC1 ZINC000631828880 370696884 /nfs/dbraw/zinc/69/68/84/370696884.db2.gz AQTFRNYYFBLUFZ-UHFFFAOYSA-N 2 2 264.373 0.985 20 0 CCADLP C[C@H](CC[NH3+])NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000564655009 291291189 /nfs/dbraw/zinc/29/11/89/291291189.db2.gz HQKSBGYKNDWCRN-SECBINFHSA-N 2 2 260.301 0.129 20 0 CCADLP C[C@@H](NC(=O)N[C@@H]1CC12CC[NH2+]CC2)c1[nH+]ccn1C ZINC000612994286 364078888 /nfs/dbraw/zinc/07/88/88/364078888.db2.gz PTXVANVNQHFANP-GHMZBOCLSA-N 2 2 277.372 0.922 20 0 CCADLP C[C@H](NC(=O)N[C@]1(C)CC[NH2+]C1)c1[nH+]ccn1C ZINC000612929186 364049035 /nfs/dbraw/zinc/04/90/35/364049035.db2.gz FOVPXPIAAOSGOS-JOYOIKCWSA-N 2 2 251.334 0.532 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000631878876 370733729 /nfs/dbraw/zinc/73/37/29/370733729.db2.gz CJGHDFUJGUWDRW-KBPBESRZSA-N 2 2 274.368 0.772 20 0 CCADLP C[C@@H](C(=O)N1CCCCC1)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631863131 370723737 /nfs/dbraw/zinc/72/37/37/370723737.db2.gz RMYMXUIABDTZES-ZDUSSCGKSA-N 2 2 283.416 0.434 20 0 CCADLP O=C(C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2)NCc1cccnc1 ZINC000631868076 370727363 /nfs/dbraw/zinc/72/73/63/370727363.db2.gz VTTLAEFOQMPZOG-HIFRSBDPSA-N 2 2 274.368 0.430 20 0 CCADLP C[C@H]1[NH2+]CCN(S(=O)(=O)CC2([NH+](C)C)CC2)[C@H]1C ZINC000631934603 370768993 /nfs/dbraw/zinc/76/89/93/370768993.db2.gz FTVOFYLXZOIEMY-MNOVXSKESA-N 2 2 275.418 0.093 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[NH+]2CCC1CC2 ZINC000613860356 364415171 /nfs/dbraw/zinc/41/51/71/364415171.db2.gz CZCXYHDBHMFXGW-CHWSQXEVSA-N 2 2 274.368 0.830 20 0 CCADLP CC1(C)C[NH+](CC(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)C1 ZINC000614090534 364499310 /nfs/dbraw/zinc/49/93/10/364499310.db2.gz PACRSLRJIYYJIL-STQMWFEESA-N 2 2 283.391 0.973 20 0 CCADLP CC(=O)N1CC[C@@H]([NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)C1 ZINC000621742269 366858316 /nfs/dbraw/zinc/85/83/16/366858316.db2.gz LGVYJAKPPLOHQR-SUHUHFCYSA-N 2 2 251.374 0.680 20 0 CCADLP CC(=O)N1CC[C@@H]([NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1 ZINC000621742269 366858319 /nfs/dbraw/zinc/85/83/19/366858319.db2.gz LGVYJAKPPLOHQR-SUHUHFCYSA-N 2 2 251.374 0.680 20 0 CCADLP C[NH+](C)CCCCC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000614509050 364639900 /nfs/dbraw/zinc/63/99/00/364639900.db2.gz ZJZVODBFSYAGBY-AWEZNQCLSA-N 2 2 282.432 0.224 20 0 CCADLP C[NH+](C)CCCCC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000614509050 364639901 /nfs/dbraw/zinc/63/99/01/364639901.db2.gz ZJZVODBFSYAGBY-AWEZNQCLSA-N 2 2 282.432 0.224 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCCC[NH2+]CC ZINC000564945839 291323110 /nfs/dbraw/zinc/32/31/10/291323110.db2.gz SAPVIZWXBNSXBL-CYBMUJFWSA-N 2 2 271.405 0.603 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCCC[NH2+]CC ZINC000564945839 291323113 /nfs/dbraw/zinc/32/31/13/291323113.db2.gz SAPVIZWXBNSXBL-CYBMUJFWSA-N 2 2 271.405 0.603 20 0 CCADLP C[C@]1(F)C[NH2+]CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)C1 ZINC000564957499 291326077 /nfs/dbraw/zinc/32/60/77/291326077.db2.gz RCTXWKQYOWRDAN-HZMBPMFUSA-N 2 2 295.362 0.260 20 0 CCADLP C[NH+]1CCN(CC2CN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC000615274995 364904345 /nfs/dbraw/zinc/90/43/45/364904345.db2.gz UNQLMHUSOCEZHF-OAHLLOKOSA-N 2 2 294.443 0.177 20 0 CCADLP C[NH+]1CCN(CC2CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)CC1 ZINC000615274995 364904347 /nfs/dbraw/zinc/90/43/47/364904347.db2.gz UNQLMHUSOCEZHF-OAHLLOKOSA-N 2 2 294.443 0.177 20 0 CCADLP C[C@](C[NH3+])([NH2+]CC(=O)Nc1nccs1)C1CC1 ZINC000430553032 291332837 /nfs/dbraw/zinc/33/28/37/291332837.db2.gz SQBRXRTUYNVFNS-LLVKDONJSA-N 2 2 254.359 0.799 20 0 CCADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000565032761 291338405 /nfs/dbraw/zinc/33/84/05/291338405.db2.gz LEDQXAHDLVMTDJ-BETUJISGSA-N 2 2 292.383 0.673 20 0 CCADLP C[C@H](CC(=O)NC[C@H]1CCC[NH2+]C1)n1cc[nH+]c1 ZINC000565146776 291346631 /nfs/dbraw/zinc/34/66/31/291346631.db2.gz FMLBZIASRFJLMK-NEPJUHHUSA-N 2 2 250.346 0.950 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NCC1([NH+](C)C)CCC1 ZINC000275485968 193055375 /nfs/dbraw/zinc/05/53/75/193055375.db2.gz OUWJTDPDTJOOBR-UHFFFAOYSA-N 2 2 265.361 0.704 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000565164625 291350122 /nfs/dbraw/zinc/35/01/22/291350122.db2.gz NGUYYCDEPXDHJD-RDBSUJKOSA-N 2 2 272.389 0.179 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000565164625 291350124 /nfs/dbraw/zinc/35/01/24/291350124.db2.gz NGUYYCDEPXDHJD-RDBSUJKOSA-N 2 2 272.389 0.179 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000565164625 291350126 /nfs/dbraw/zinc/35/01/26/291350126.db2.gz NGUYYCDEPXDHJD-RDBSUJKOSA-N 2 2 272.389 0.179 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000565164625 291350127 /nfs/dbraw/zinc/35/01/27/291350127.db2.gz NGUYYCDEPXDHJD-RDBSUJKOSA-N 2 2 272.389 0.179 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000565157908 291348535 /nfs/dbraw/zinc/34/85/35/291348535.db2.gz QUNRSVHWBQEHIJ-CHWSQXEVSA-N 3 2 294.443 0.541 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000565157908 291348538 /nfs/dbraw/zinc/34/85/38/291348538.db2.gz QUNRSVHWBQEHIJ-CHWSQXEVSA-N 3 2 294.443 0.541 20 0 CCADLP CCN1CC[N@H+](CCCc2c[nH+]cn2C)[C@@H](C)C1=O ZINC000565157235 291348689 /nfs/dbraw/zinc/34/86/89/291348689.db2.gz MMACXRFTEIBAAK-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP CCN1CC[N@@H+](CCCc2c[nH+]cn2C)[C@@H](C)C1=O ZINC000565157235 291348690 /nfs/dbraw/zinc/34/86/90/291348690.db2.gz MMACXRFTEIBAAK-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH+](C)C ZINC000616488343 365339616 /nfs/dbraw/zinc/33/96/16/365339616.db2.gz KMKHSIVLPIMXDX-WDEREUQCSA-N 2 2 250.346 0.512 20 0 CCADLP Cn1ncc2c1nc(N)[nH+]c2N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000656118941 412744844 /nfs/dbraw/zinc/74/48/44/412744844.db2.gz IXEAOOWQBGFNAT-SNVBAGLBSA-N 2 2 298.354 0.984 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2c[nH]c[nH+]2)C1 ZINC000621861115 366899509 /nfs/dbraw/zinc/89/95/09/366899509.db2.gz QJSUDWBXLJMVAL-NSHDSACASA-N 2 2 280.372 0.524 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)C(C)(C)c2c[nH]c[nH+]2)C1 ZINC000621861115 366899511 /nfs/dbraw/zinc/89/95/11/366899511.db2.gz QJSUDWBXLJMVAL-NSHDSACASA-N 2 2 280.372 0.524 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000621861115 366899515 /nfs/dbraw/zinc/89/95/15/366899515.db2.gz QJSUDWBXLJMVAL-NSHDSACASA-N 2 2 280.372 0.524 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000621861115 366899517 /nfs/dbraw/zinc/89/95/17/366899517.db2.gz QJSUDWBXLJMVAL-NSHDSACASA-N 2 2 280.372 0.524 20 0 CCADLP COCC(C)(C)[NH+]1CCN(c2nc[nH+]c(N)c2OC)CC1 ZINC000565226837 291363657 /nfs/dbraw/zinc/36/36/57/291363657.db2.gz OFUQYTTZPSXBQF-UHFFFAOYSA-N 2 2 295.387 0.614 20 0 CCADLP C[NH+](C)C1CC(NC(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000622009144 366979036 /nfs/dbraw/zinc/97/90/36/366979036.db2.gz LHGGCGQLNHAQRF-UHFFFAOYSA-N 2 2 281.400 0.450 20 0 CCADLP [NH3+][C@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1cscn1 ZINC000566214722 291378038 /nfs/dbraw/zinc/37/80/38/291378038.db2.gz NPBNJKZTILGZPL-UMNHJUIQSA-N 2 2 280.397 0.601 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)c2ccc(C[NH+](C)C)nc2)c1 ZINC000622685648 367295062 /nfs/dbraw/zinc/29/50/62/367295062.db2.gz CQJRQDYCAPLLDP-UHFFFAOYSA-N 2 2 287.367 0.849 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC(C)(CC(F)F)C1 ZINC000656152556 412753084 /nfs/dbraw/zinc/75/30/84/412753084.db2.gz RAIFFEUOKXZQRD-NSHDSACASA-N 2 2 280.359 0.903 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC(C)(CC(F)F)C1 ZINC000656152556 412753090 /nfs/dbraw/zinc/75/30/90/412753090.db2.gz RAIFFEUOKXZQRD-NSHDSACASA-N 2 2 280.359 0.903 20 0 CCADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000623176656 367464367 /nfs/dbraw/zinc/46/43/67/367464367.db2.gz KGRVTJZYYNBODN-DGCLKSJQSA-N 2 2 274.368 0.798 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1(C)C ZINC000623373100 367550924 /nfs/dbraw/zinc/55/09/24/367550924.db2.gz RUYCNAZSGXHBMU-UONOGXRCSA-N 3 2 269.433 0.906 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1(C)C ZINC000623373100 367550928 /nfs/dbraw/zinc/55/09/28/367550928.db2.gz RUYCNAZSGXHBMU-UONOGXRCSA-N 3 2 269.433 0.906 20 0 CCADLP C[N@H+](CC(=O)N[C@H]1Cc2c[nH+]cn2C1)[C@@H]1CCSC1 ZINC000623263212 367502808 /nfs/dbraw/zinc/50/28/08/367502808.db2.gz FWZBENMDRGKQQF-WDEREUQCSA-N 2 2 280.397 0.361 20 0 CCADLP C[N@@H+](CC(=O)N[C@H]1Cc2c[nH+]cn2C1)[C@@H]1CCSC1 ZINC000623263212 367502813 /nfs/dbraw/zinc/50/28/13/367502813.db2.gz FWZBENMDRGKQQF-WDEREUQCSA-N 2 2 280.397 0.361 20 0 CCADLP COc1cc[nH+]cc1NC(=O)COC1CC[NH2+]CC1 ZINC000566287105 291389661 /nfs/dbraw/zinc/38/96/61/291389661.db2.gz XVHUIGKSEMFTMA-UHFFFAOYSA-N 2 2 265.313 0.797 20 0 CCADLP C[C@@H]1OCC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000623619761 367605800 /nfs/dbraw/zinc/60/58/00/367605800.db2.gz WGQLTDXEDHCRKR-TUAOUCFPSA-N 2 2 255.362 0.093 20 0 CCADLP C[C@@H]1OCC[C@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000623619761 367605807 /nfs/dbraw/zinc/60/58/07/367605807.db2.gz WGQLTDXEDHCRKR-TUAOUCFPSA-N 2 2 255.362 0.093 20 0 CCADLP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H]1COCC[NH+]1C ZINC000623573903 367595808 /nfs/dbraw/zinc/59/58/08/367595808.db2.gz ZTSJXRHZXZJTDD-STQMWFEESA-N 2 2 286.420 0.347 20 0 CCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1COCC[NH+]1C ZINC000623573903 367595811 /nfs/dbraw/zinc/59/58/11/367595811.db2.gz ZTSJXRHZXZJTDD-STQMWFEESA-N 2 2 286.420 0.347 20 0 CCADLP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623573903 367595817 /nfs/dbraw/zinc/59/58/17/367595817.db2.gz ZTSJXRHZXZJTDD-STQMWFEESA-N 2 2 286.420 0.347 20 0 CCADLP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623573903 367595819 /nfs/dbraw/zinc/59/58/19/367595819.db2.gz ZTSJXRHZXZJTDD-STQMWFEESA-N 2 2 286.420 0.347 20 0 CCADLP CC[NH+]1CCC(CNC(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000623717753 367633571 /nfs/dbraw/zinc/63/35/71/367633571.db2.gz LLBBSPURBKDBRY-AWEZNQCLSA-N 2 2 298.431 0.348 20 0 CCADLP CC[NH+]1CCC(CNC(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000623717753 367633577 /nfs/dbraw/zinc/63/35/77/367633577.db2.gz LLBBSPURBKDBRY-AWEZNQCLSA-N 2 2 298.431 0.348 20 0 CCADLP NC(=O)[C@H]1CN(c2nc3ccccc3n3c[nH+]cc23)CC[NH2+]1 ZINC000623827845 367670162 /nfs/dbraw/zinc/67/01/62/367670162.db2.gz YWVCLHQDOQXXJF-LLVKDONJSA-N 2 2 296.334 0.146 20 0 CCADLP O[C@H]1CC[N@H+](CC[NH2+]Cc2ccc(-n3cncn3)cc2)C1 ZINC000623837017 367673101 /nfs/dbraw/zinc/67/31/01/367673101.db2.gz UKIFAWZCTGOMHX-HNNXBMFYSA-N 2 2 287.367 0.424 20 0 CCADLP O[C@H]1CC[N@@H+](CC[NH2+]Cc2ccc(-n3cncn3)cc2)C1 ZINC000623837017 367673111 /nfs/dbraw/zinc/67/31/11/367673111.db2.gz UKIFAWZCTGOMHX-HNNXBMFYSA-N 2 2 287.367 0.424 20 0 CCADLP C[C@@H](NC(=O)NC[C@H]1COCC[N@@H+]1C)C1=CC[NH+](C)CC1 ZINC000623873710 367682941 /nfs/dbraw/zinc/68/29/41/367682941.db2.gz OZVVBFWZYMLYJI-OCCSQVGLSA-N 2 2 296.415 0.267 20 0 CCADLP C[C@@H](NC(=O)NC[C@H]1COCC[N@H+]1C)C1=CC[NH+](C)CC1 ZINC000623873710 367682944 /nfs/dbraw/zinc/68/29/44/367682944.db2.gz OZVVBFWZYMLYJI-OCCSQVGLSA-N 2 2 296.415 0.267 20 0 CCADLP C[C@@H](NC(=O)NC[C@H]1COCC[NH+]1C)C1=CC[N@H+](C)CC1 ZINC000623873710 367682947 /nfs/dbraw/zinc/68/29/47/367682947.db2.gz OZVVBFWZYMLYJI-OCCSQVGLSA-N 2 2 296.415 0.267 20 0 CCADLP C[C@@H](NC(=O)NC[C@H]1COCC[NH+]1C)C1=CC[N@@H+](C)CC1 ZINC000623873710 367682948 /nfs/dbraw/zinc/68/29/48/367682948.db2.gz OZVVBFWZYMLYJI-OCCSQVGLSA-N 2 2 296.415 0.267 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)[C@@H]1CCCCO1 ZINC000623892166 367691085 /nfs/dbraw/zinc/69/10/85/367691085.db2.gz GSXPWGGPPTVJET-MJBXVCDLSA-N 2 2 255.406 0.779 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)[C@@H]1CCCCO1 ZINC000623892166 367691094 /nfs/dbraw/zinc/69/10/94/367691094.db2.gz GSXPWGGPPTVJET-MJBXVCDLSA-N 2 2 255.406 0.779 20 0 CCADLP CCC[NH+]1CCC([NH2+][C@@H](CO)c2ccnn2C)CC1 ZINC000624017807 367726005 /nfs/dbraw/zinc/72/60/05/367726005.db2.gz FPGWGEQWKREKER-ZDUSSCGKSA-N 2 2 266.389 0.918 20 0 CCADLP CCn1ccnc1[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624086411 367748731 /nfs/dbraw/zinc/74/87/31/367748731.db2.gz DZXGZGOVKZATGA-OLZOCXBDSA-N 2 2 293.415 0.893 20 0 CCADLP CCn1ccnc1[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624086411 367748740 /nfs/dbraw/zinc/74/87/40/367748740.db2.gz DZXGZGOVKZATGA-OLZOCXBDSA-N 2 2 293.415 0.893 20 0 CCADLP CCN(CCC[NH+]1CCCC1)c1nc(N)nc(N)[nH+]1 ZINC000624151084 367768169 /nfs/dbraw/zinc/76/81/69/367768169.db2.gz HDSHONIINBFYHX-UHFFFAOYSA-N 2 2 265.365 0.009 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNc1cc[nH+]c2ccncc12 ZINC000624620172 367931022 /nfs/dbraw/zinc/93/10/22/367931022.db2.gz WXJRTQKHRXMKRC-LLVKDONJSA-N 2 2 258.325 0.794 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNc1cc[nH+]c2ccncc12 ZINC000624620172 367931027 /nfs/dbraw/zinc/93/10/27/367931027.db2.gz WXJRTQKHRXMKRC-LLVKDONJSA-N 2 2 258.325 0.794 20 0 CCADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)NC[C@H]3COCC[NH+]3C)C2)C1 ZINC000624734630 367974260 /nfs/dbraw/zinc/97/42/60/367974260.db2.gz SDKVCJSTOFCSBJ-DZGCQCFKSA-N 2 2 296.415 0.054 20 0 CCADLP C[N@H+]1CC[C@@]2(CCN(C(=O)NC[C@H]3COCC[NH+]3C)C2)C1 ZINC000624734630 367974269 /nfs/dbraw/zinc/97/42/69/367974269.db2.gz SDKVCJSTOFCSBJ-DZGCQCFKSA-N 2 2 296.415 0.054 20 0 CCADLP C[NH+]1CC[C@@]2(CCN(C(=O)NC[C@H]3COCC[N@@H+]3C)C2)C1 ZINC000624734630 367974275 /nfs/dbraw/zinc/97/42/75/367974275.db2.gz SDKVCJSTOFCSBJ-DZGCQCFKSA-N 2 2 296.415 0.054 20 0 CCADLP C[NH+]1CC[C@@]2(CCN(C(=O)NC[C@H]3COCC[N@H+]3C)C2)C1 ZINC000624734630 367974281 /nfs/dbraw/zinc/97/42/81/367974281.db2.gz SDKVCJSTOFCSBJ-DZGCQCFKSA-N 2 2 296.415 0.054 20 0 CCADLP CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000624740575 367978131 /nfs/dbraw/zinc/97/81/31/367978131.db2.gz RYJHFXOLHPVAKQ-KBPBESRZSA-N 2 2 298.431 0.348 20 0 CCADLP CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000624740575 367978134 /nfs/dbraw/zinc/97/81/34/367978134.db2.gz RYJHFXOLHPVAKQ-KBPBESRZSA-N 2 2 298.431 0.348 20 0 CCADLP CC[NH+]1CCC[C@@H](CNC(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000624740575 367978136 /nfs/dbraw/zinc/97/81/36/367978136.db2.gz RYJHFXOLHPVAKQ-KBPBESRZSA-N 2 2 298.431 0.348 20 0 CCADLP CC[NH+]1CCC[C@@H](CNC(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000624740575 367978139 /nfs/dbraw/zinc/97/81/39/367978139.db2.gz RYJHFXOLHPVAKQ-KBPBESRZSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@@H]([C@H]1CCC[NH2+]C1)[NH+]1CCN(c2nncn2C)CC1 ZINC000656199694 412764167 /nfs/dbraw/zinc/76/41/67/412764167.db2.gz AYFWITWEJZWAIL-STQMWFEESA-N 2 2 278.404 0.325 20 0 CCADLP CC(C)OC[C@H](O)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625549033 368241455 /nfs/dbraw/zinc/24/14/55/368241455.db2.gz IMGXQEQMQPOUBB-OAHLLOKOSA-N 2 2 286.416 0.569 20 0 CCADLP Cn1c[nH+]cc1CCC[NH+]1CCN(Cc2cn[nH]c2)CC1 ZINC000625472017 368214713 /nfs/dbraw/zinc/21/47/13/368214713.db2.gz OGIBVRJSRQYPLR-UHFFFAOYSA-N 2 2 288.399 0.894 20 0 CCADLP O[C@@H]1C[C@H]2CN(c3cc(NC4CC4)[nH+]cn3)CC[N@@H+]2C1 ZINC000656218491 412769401 /nfs/dbraw/zinc/76/94/01/412769401.db2.gz ASEHYILMKSJYKK-NWDGAFQWSA-N 2 2 275.356 0.306 20 0 CCADLP O[C@@H]1C[C@H]2CN(c3cc(NC4CC4)[nH+]cn3)CC[N@H+]2C1 ZINC000656218491 412769403 /nfs/dbraw/zinc/76/94/03/412769403.db2.gz ASEHYILMKSJYKK-NWDGAFQWSA-N 2 2 275.356 0.306 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)Cn1c[nH+]cc1C)CC2 ZINC000626417297 368541150 /nfs/dbraw/zinc/54/11/50/368541150.db2.gz KSZKTYLDIFGYET-UHFFFAOYSA-N 2 2 259.313 0.739 20 0 CCADLP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCCn1cc[nH+]c1)C2 ZINC000626923142 368680204 /nfs/dbraw/zinc/68/02/04/368680204.db2.gz 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Cc1nc(N(C)CC[C@@H]2CCCC[N@@H+]2C)nc(N)[nH+]1 ZINC000631132829 370394604 /nfs/dbraw/zinc/39/46/04/370394604.db2.gz OXYKOFPDHURSSB-NSHDSACASA-N 2 2 264.377 0.903 20 0 CCADLP Cc1nc(N(C)CC[C@@H]2CCCC[N@H+]2C)nc(N)[nH+]1 ZINC000631132829 370394608 /nfs/dbraw/zinc/39/46/08/370394608.db2.gz OXYKOFPDHURSSB-NSHDSACASA-N 2 2 264.377 0.903 20 0 CCADLP Cc1nc(N)nc(N(C)CC[C@@H]2CCCC[N@@H+]2C)[nH+]1 ZINC000631132829 370394612 /nfs/dbraw/zinc/39/46/12/370394612.db2.gz OXYKOFPDHURSSB-NSHDSACASA-N 2 2 264.377 0.903 20 0 CCADLP Cc1nc(N)nc(N(C)CC[C@@H]2CCCC[N@H+]2C)[nH+]1 ZINC000631132829 370394615 /nfs/dbraw/zinc/39/46/15/370394615.db2.gz OXYKOFPDHURSSB-NSHDSACASA-N 2 2 264.377 0.903 20 0 CCADLP Cc1nc(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)nc(N)[nH+]1 ZINC000631171714 370410691 /nfs/dbraw/zinc/41/06/91/370410691.db2.gz HLYSSCBWDLUGBD-GHMZBOCLSA-N 2 2 262.361 0.513 20 0 CCADLP Cc1nc(N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)nc(N)[nH+]1 ZINC000631171714 370410695 /nfs/dbraw/zinc/41/06/95/370410695.db2.gz HLYSSCBWDLUGBD-GHMZBOCLSA-N 2 2 262.361 0.513 20 0 CCADLP Cc1nc(N)nc(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)[nH+]1 ZINC000631171714 370410703 /nfs/dbraw/zinc/41/07/03/370410703.db2.gz HLYSSCBWDLUGBD-GHMZBOCLSA-N 2 2 262.361 0.513 20 0 CCADLP Cc1nc(N)nc(N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)[nH+]1 ZINC000631171714 370410708 /nfs/dbraw/zinc/41/07/08/370410708.db2.gz HLYSSCBWDLUGBD-GHMZBOCLSA-N 2 2 262.361 0.513 20 0 CCADLP Cc1nc(N(C)CC(C)(C)C[NH+]2CCOCC2)nc(N)[nH+]1 ZINC000631177831 370412421 /nfs/dbraw/zinc/41/24/21/370412421.db2.gz HBKDVNHKSPYJKO-UHFFFAOYSA-N 2 2 294.403 0.387 20 0 CCADLP CN(C(=O)C1CSC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000631247279 370437442 /nfs/dbraw/zinc/43/74/42/370437442.db2.gz SNTUYILKZVVZAL-AWEZNQCLSA-N 2 2 297.468 0.976 20 0 CCADLP CN(C(=O)C1CSC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000631247279 370437443 /nfs/dbraw/zinc/43/74/43/370437443.db2.gz SNTUYILKZVVZAL-AWEZNQCLSA-N 2 2 297.468 0.976 20 0 CCADLP C[NH+](C)CCn1cc(C(=O)NCc2c[nH+]c[nH]2)cn1 ZINC000631414631 370526924 /nfs/dbraw/zinc/52/69/24/370526924.db2.gz UUBLCQHKEKFIIB-UHFFFAOYSA-N 2 2 262.317 0.098 20 0 CCADLP C[NH+](C)CCn1cc(C(=O)NCc2c[nH]c[nH+]2)cn1 ZINC000631414631 370526927 /nfs/dbraw/zinc/52/69/27/370526927.db2.gz UUBLCQHKEKFIIB-UHFFFAOYSA-N 2 2 262.317 0.098 20 0 CCADLP CC[C@]1(O)CCC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000640036409 376204013 /nfs/dbraw/zinc/20/40/13/376204013.db2.gz ROSGZARUBQRVAC-KBPBESRZSA-N 2 2 274.405 0.162 20 0 CCADLP CC[C@]1(O)CCC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000640036409 376204019 /nfs/dbraw/zinc/20/40/19/376204019.db2.gz ROSGZARUBQRVAC-KBPBESRZSA-N 2 2 274.405 0.162 20 0 CCADLP CC[C@]1(O)CCC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000640036409 376204023 /nfs/dbraw/zinc/20/40/23/376204023.db2.gz ROSGZARUBQRVAC-KBPBESRZSA-N 2 2 274.405 0.162 20 0 CCADLP CC[C@]1(O)CCC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000640036409 376204028 /nfs/dbraw/zinc/20/40/28/376204028.db2.gz ROSGZARUBQRVAC-KBPBESRZSA-N 2 2 274.405 0.162 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000633076519 371385161 /nfs/dbraw/zinc/38/51/61/371385161.db2.gz WJPVUKOSWVBCAG-ZDUSSCGKSA-N 2 2 297.428 0.988 20 0 CCADLP C[C@@H]1CN(CC[N@H+](C)C2CC[NH+](CCO)CC2)CCO1 ZINC000337344195 214019144 /nfs/dbraw/zinc/01/91/44/214019144.db2.gz YPYUNZFWENVOQC-CQSZACIVSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H]1CN(CC[N@@H+](C)C2CC[NH+](CCO)CC2)CCO1 ZINC000337344195 214019147 /nfs/dbraw/zinc/01/91/47/214019147.db2.gz YPYUNZFWENVOQC-CQSZACIVSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C2CC[NH+](CCO)CC2)CCO1 ZINC000337344195 214019149 /nfs/dbraw/zinc/01/91/49/214019149.db2.gz YPYUNZFWENVOQC-CQSZACIVSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C2CC[NH+](CCO)CC2)CCO1 ZINC000337344195 214019153 /nfs/dbraw/zinc/01/91/53/214019153.db2.gz YPYUNZFWENVOQC-CQSZACIVSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@](O)(C[C@@H](O)C[NH2+]CCCn1cc[nH+]c1)C1CC1 ZINC000634636528 372113249 /nfs/dbraw/zinc/11/32/49/372113249.db2.gz DUPLMCRKTGNRBO-KGLIPLIRSA-N 2 2 267.373 0.775 20 0 CCADLP C[C@](O)(C[C@@H](O)C[NH2+]CCn1cc[nH+]c1)C1CC1 ZINC000634699794 372146269 /nfs/dbraw/zinc/14/62/69/372146269.db2.gz PEDJCURBDQKIJM-OLZOCXBDSA-N 2 2 253.346 0.385 20 0 CCADLP C[C@](O)(C[C@H](O)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000634714812 372158544 /nfs/dbraw/zinc/15/85/44/372158544.db2.gz RJZHROFHYKQTMP-HUBLWGQQSA-N 2 2 279.384 0.769 20 0 CCADLP C[C@](O)(C[C@H](O)C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000634714812 372158548 /nfs/dbraw/zinc/15/85/48/372158548.db2.gz RJZHROFHYKQTMP-HUBLWGQQSA-N 2 2 279.384 0.769 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCCCN(C)C1=O ZINC000634744186 372189588 /nfs/dbraw/zinc/18/95/88/372189588.db2.gz QCDRXARWMDCRNQ-STQMWFEESA-N 2 2 271.405 0.242 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCCCN(C)C1=O ZINC000634744186 372189590 /nfs/dbraw/zinc/18/95/90/372189590.db2.gz QCDRXARWMDCRNQ-STQMWFEESA-N 2 2 271.405 0.242 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CCCCN(C)C1=O ZINC000634744186 372189595 /nfs/dbraw/zinc/18/95/95/372189595.db2.gz QCDRXARWMDCRNQ-STQMWFEESA-N 2 2 271.405 0.242 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CCCCN(C)C1=O ZINC000634744186 372189598 /nfs/dbraw/zinc/18/95/98/372189598.db2.gz QCDRXARWMDCRNQ-STQMWFEESA-N 2 2 271.405 0.242 20 0 CCADLP C[C@@H](Nc1cc(N2CCC(C)(O)CC2)[nH+]cn1)[C@H](C)[NH3+] ZINC000634810120 372253508 /nfs/dbraw/zinc/25/35/08/372253508.db2.gz MPRVDMQMNAVLQU-WDEREUQCSA-N 2 2 279.388 0.975 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)Nc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000634810117 372253577 /nfs/dbraw/zinc/25/35/77/372253577.db2.gz MPRVDMQMNAVLQU-GHMZBOCLSA-N 2 2 279.388 0.975 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCNC(=O)CC1 ZINC000634968290 372318810 /nfs/dbraw/zinc/31/88/10/372318810.db2.gz KWOKKNSEUNRFEG-WZRBSPASSA-N 2 2 251.374 0.727 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCNC(=O)CC1 ZINC000634968290 372318811 /nfs/dbraw/zinc/31/88/11/372318811.db2.gz KWOKKNSEUNRFEG-WZRBSPASSA-N 2 2 251.374 0.727 20 0 CCADLP C[C@H]([C@H](C)NC(=O)C1(C[NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000635505888 372570999 /nfs/dbraw/zinc/57/09/99/372570999.db2.gz HRLROBAAXIZEFH-QWHCGFSZSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H](C(=O)N(C)CCC[NH+]1CCN(C)CC1)[NH+](C)C ZINC000635544016 372609117 /nfs/dbraw/zinc/60/91/17/372609117.db2.gz BXZKAZMKIYIFHJ-CYBMUJFWSA-N 2 2 270.421 0.032 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000635544661 372609332 /nfs/dbraw/zinc/60/93/32/372609332.db2.gz CAOZPDZWPFGASJ-UHFFFAOYSA-N 2 2 283.416 0.509 20 0 CCADLP C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC[NH2+]1 ZINC000333137068 205061334 /nfs/dbraw/zinc/06/13/34/205061334.db2.gz CNLFBOBOQXSVHI-CHWSQXEVSA-N 2 2 289.383 0.664 20 0 CCADLP CC(C)C[C@@H](C(=O)NC[C@@](C)(O)C[NH+](C)C)n1cc[nH+]c1 ZINC000635727534 372823168 /nfs/dbraw/zinc/82/31/68/372823168.db2.gz LXWNTJBPCJVYCY-DZGCQCFKSA-N 2 2 296.415 0.899 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1C[NH+](C)CCO1 ZINC000635712046 372799553 /nfs/dbraw/zinc/79/95/53/372799553.db2.gz LFQFSQYQHFPQQD-FRRDWIJNSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1C[NH+](C)CCO1 ZINC000635712046 372799559 /nfs/dbraw/zinc/79/95/59/372799559.db2.gz LFQFSQYQHFPQQD-FRRDWIJNSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C)[C@H]1C[N@H+](C)CCO1 ZINC000635712046 372799566 /nfs/dbraw/zinc/79/95/66/372799566.db2.gz LFQFSQYQHFPQQD-FRRDWIJNSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1CCCC[NH+]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000635712046 372799570 /nfs/dbraw/zinc/79/95/70/372799570.db2.gz LFQFSQYQHFPQQD-FRRDWIJNSA-N 2 2 269.389 0.306 20 0 CCADLP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](C)CS(C)(=O)=O)C1 ZINC000246676961 284347223 /nfs/dbraw/zinc/34/72/23/284347223.db2.gz XMKVNWDINFTLQW-STQMWFEESA-N 2 2 276.446 0.941 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](C)CS(C)(=O)=O)C1 ZINC000246676961 284347229 /nfs/dbraw/zinc/34/72/29/284347229.db2.gz XMKVNWDINFTLQW-STQMWFEESA-N 2 2 276.446 0.941 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](C)CS(C)(=O)=O)C1 ZINC000246676961 284347230 /nfs/dbraw/zinc/34/72/30/284347230.db2.gz XMKVNWDINFTLQW-STQMWFEESA-N 2 2 276.446 0.941 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](C)CS(C)(=O)=O)C1 ZINC000246676961 284347233 /nfs/dbraw/zinc/34/72/33/284347233.db2.gz XMKVNWDINFTLQW-STQMWFEESA-N 2 2 276.446 0.941 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCOCC2(CCOCC2)C1 ZINC000517038310 284349069 /nfs/dbraw/zinc/34/90/69/284349069.db2.gz VSGUBZDGXLZQRY-AWEZNQCLSA-N 2 2 286.416 0.428 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCOCC2(CCOCC2)C1 ZINC000517038310 284349073 /nfs/dbraw/zinc/34/90/73/284349073.db2.gz VSGUBZDGXLZQRY-AWEZNQCLSA-N 2 2 286.416 0.428 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000517038310 284349075 /nfs/dbraw/zinc/34/90/75/284349075.db2.gz VSGUBZDGXLZQRY-AWEZNQCLSA-N 2 2 286.416 0.428 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000517038310 284349077 /nfs/dbraw/zinc/34/90/77/284349077.db2.gz VSGUBZDGXLZQRY-AWEZNQCLSA-N 2 2 286.416 0.428 20 0 CCADLP CC[N@H+](CCO)CCNC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000635809519 372939202 /nfs/dbraw/zinc/93/92/02/372939202.db2.gz KASXVNPIKAFRHA-UHFFFAOYSA-N 2 2 290.367 0.687 20 0 CCADLP CC[N@@H+](CCO)CCNC(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000635809519 372939207 /nfs/dbraw/zinc/93/92/07/372939207.db2.gz KASXVNPIKAFRHA-UHFFFAOYSA-N 2 2 290.367 0.687 20 0 CCADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1cccc(O)c1 ZINC000574426893 335018974 /nfs/dbraw/zinc/01/89/74/335018974.db2.gz MGDVVNFKIOJXOB-AAEUAGOBSA-N 2 2 292.383 0.738 20 0 CCADLP C[C@H](C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000635869924 373027653 /nfs/dbraw/zinc/02/76/53/373027653.db2.gz XHHPDPCCVKCPLE-FRRDWIJNSA-N 2 2 271.405 0.504 20 0 CCADLP C[C@H](C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000635869924 373027661 /nfs/dbraw/zinc/02/76/61/373027661.db2.gz XHHPDPCCVKCPLE-FRRDWIJNSA-N 2 2 271.405 0.504 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C)C[C@H](C)[N@H+]1CCO ZINC000635990844 373214565 /nfs/dbraw/zinc/21/45/65/373214565.db2.gz HLKBYLZEBJBPGB-MJBXVCDLSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C)C[C@H](C)[N@@H+]1CCO ZINC000635990844 373214570 /nfs/dbraw/zinc/21/45/70/373214570.db2.gz HLKBYLZEBJBPGB-MJBXVCDLSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H](C)[NH+]1CCO ZINC000635990844 373214579 /nfs/dbraw/zinc/21/45/79/373214579.db2.gz HLKBYLZEBJBPGB-MJBXVCDLSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H](C)[NH+]1CCO ZINC000635990844 373214586 /nfs/dbraw/zinc/21/45/86/373214586.db2.gz HLKBYLZEBJBPGB-MJBXVCDLSA-N 2 2 283.416 0.384 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[N@H+](CCO)C[C@H]2C)[nH+]1 ZINC000636011728 373243273 /nfs/dbraw/zinc/24/32/73/373243273.db2.gz KNPPTCGZANTCQW-LLVKDONJSA-N 2 2 280.372 0.040 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[N@@H+](CCO)C[C@H]2C)[nH+]1 ZINC000636011728 373243278 /nfs/dbraw/zinc/24/32/78/373243278.db2.gz KNPPTCGZANTCQW-LLVKDONJSA-N 2 2 280.372 0.040 20 0 CCADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636012148 373243367 /nfs/dbraw/zinc/24/33/67/373243367.db2.gz SKOIXTCUKJANAW-IJLUTSLNSA-N 2 2 278.356 0.038 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636012148 373243372 /nfs/dbraw/zinc/24/33/72/373243372.db2.gz SKOIXTCUKJANAW-IJLUTSLNSA-N 2 2 278.356 0.038 20 0 CCADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636012148 373243378 /nfs/dbraw/zinc/24/33/78/373243378.db2.gz SKOIXTCUKJANAW-IJLUTSLNSA-N 2 2 278.356 0.038 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636012148 373243382 /nfs/dbraw/zinc/24/33/82/373243382.db2.gz SKOIXTCUKJANAW-IJLUTSLNSA-N 2 2 278.356 0.038 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)NCC2([NH3+])CCCCC2)C1 ZINC000333618414 205511069 /nfs/dbraw/zinc/51/10/69/205511069.db2.gz RHSWZFCKUWVXFS-GFCCVEGCSA-N 2 2 284.404 0.278 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)NCC2([NH3+])CCCCC2)C1 ZINC000333618414 205511074 /nfs/dbraw/zinc/51/10/74/205511074.db2.gz RHSWZFCKUWVXFS-GFCCVEGCSA-N 2 2 284.404 0.278 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC1([NH3+])CCCC1 ZINC000656474371 412810163 /nfs/dbraw/zinc/81/01/63/412810163.db2.gz SVTUTLBWYFVLCM-NSHDSACASA-N 2 2 265.361 0.842 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636607187 373669134 /nfs/dbraw/zinc/66/91/34/373669134.db2.gz STRCFEATCAJNJF-LBPRGKRZSA-N 2 2 288.355 0.702 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000637126594 373943076 /nfs/dbraw/zinc/94/30/76/373943076.db2.gz HFRKPZRAMJTVLZ-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000637126594 373943078 /nfs/dbraw/zinc/94/30/78/373943078.db2.gz HFRKPZRAMJTVLZ-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP CN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637439700 374150748 /nfs/dbraw/zinc/15/07/48/374150748.db2.gz ABHMBQWZCVWZKP-AWEZNQCLSA-N 2 2 298.431 0.444 20 0 CCADLP CN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000637439700 374150756 /nfs/dbraw/zinc/15/07/56/374150756.db2.gz ABHMBQWZCVWZKP-AWEZNQCLSA-N 2 2 298.431 0.444 20 0 CCADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)NC[C@H]3COCC[NH+]3C)[C@@H]2C1 ZINC000637440677 374153837 /nfs/dbraw/zinc/15/38/37/374153837.db2.gz PWOHEUYBIDPNLG-MELADBBJSA-N 2 2 296.415 0.053 20 0 CCADLP C[N@H+]1C[C@@H]2CCCN(C(=O)NC[C@H]3COCC[NH+]3C)[C@@H]2C1 ZINC000637440677 374153843 /nfs/dbraw/zinc/15/38/43/374153843.db2.gz PWOHEUYBIDPNLG-MELADBBJSA-N 2 2 296.415 0.053 20 0 CCADLP C[NH+]1C[C@@H]2CCCN(C(=O)NC[C@H]3COCC[N@@H+]3C)[C@@H]2C1 ZINC000637440677 374153852 /nfs/dbraw/zinc/15/38/52/374153852.db2.gz PWOHEUYBIDPNLG-MELADBBJSA-N 2 2 296.415 0.053 20 0 CCADLP C[NH+]1C[C@@H]2CCCN(C(=O)NC[C@H]3COCC[N@H+]3C)[C@@H]2C1 ZINC000637440677 374153858 /nfs/dbraw/zinc/15/38/58/374153858.db2.gz PWOHEUYBIDPNLG-MELADBBJSA-N 2 2 296.415 0.053 20 0 CCADLP CCCN(C(=O)NC[C@@H]1COCC[NH+]1C)[C@@H]1CC[N@H+](C)C1 ZINC000637441156 374157378 /nfs/dbraw/zinc/15/73/78/374157378.db2.gz ZFDIIAJTFUIKCO-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP CCCN(C(=O)NC[C@@H]1COCC[NH+]1C)[C@@H]1CC[N@@H+](C)C1 ZINC000637441156 374157384 /nfs/dbraw/zinc/15/73/84/374157384.db2.gz ZFDIIAJTFUIKCO-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP CCCN(C(=O)NC[C@@H]1COCC[N@@H+]1C)[C@@H]1CC[NH+](C)C1 ZINC000637441156 374157390 /nfs/dbraw/zinc/15/73/90/374157390.db2.gz ZFDIIAJTFUIKCO-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP CCCN(C(=O)NC[C@@H]1COCC[N@H+]1C)[C@@H]1CC[NH+](C)C1 ZINC000637441156 374157394 /nfs/dbraw/zinc/15/73/94/374157394.db2.gz ZFDIIAJTFUIKCO-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP CC(C)C[C@@H](C(=O)N[C@@H]1CC[NH2+]C1)n1cc[nH+]c1 ZINC000637810209 374342737 /nfs/dbraw/zinc/34/27/37/374342737.db2.gz BSPJONGSYNWFPF-NEPJUHHUSA-N 2 2 250.346 0.948 20 0 CCADLP COCCOCC[N@H+](C)CCC(=O)Nc1ccc(N)[nH+]c1 ZINC000637828726 374371365 /nfs/dbraw/zinc/37/13/65/374371365.db2.gz GJXIINDRIVWHFS-UHFFFAOYSA-N 2 2 296.371 0.418 20 0 CCADLP COCCOCC[N@@H+](C)CCC(=O)Nc1ccc(N)[nH+]c1 ZINC000637828726 374371377 /nfs/dbraw/zinc/37/13/77/374371377.db2.gz GJXIINDRIVWHFS-UHFFFAOYSA-N 2 2 296.371 0.418 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@H]2CCCC[NH2+]2)[nH+]1 ZINC000637816564 374351571 /nfs/dbraw/zinc/35/15/71/374351571.db2.gz MWNVIXWTGMNLQP-LLVKDONJSA-N 2 2 250.346 0.773 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@](C)(C[NH3+])C1CC1)CC2 ZINC000637843193 374395720 /nfs/dbraw/zinc/39/57/20/374395720.db2.gz UOANYCVLOVRPAO-XHDPSFHLSA-N 2 2 276.384 0.998 20 0 CCADLP [NH3+][C@@H]1CC=C(C(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000638051584 374593984 /nfs/dbraw/zinc/59/39/84/374593984.db2.gz LMBCBXJDRINZME-LLVKDONJSA-N 2 2 256.309 0.998 20 0 CCADLP COC[C@@]1(C(=O)NCCCCn2cc[nH+]c2)CCCC[NH2+]1 ZINC000638075375 374630739 /nfs/dbraw/zinc/63/07/39/374630739.db2.gz IUSVBUUBKLXFIU-OAHLLOKOSA-N 2 2 294.399 0.938 20 0 CCADLP O=C(CCC1C[NH2+]C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000638076347 374631187 /nfs/dbraw/zinc/63/11/87/374631187.db2.gz KOLQCKMILLWBJY-AWEZNQCLSA-N 2 2 281.400 0.309 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]([NH3+])CN(C)Cc1ccccc1)[NH+](C)C ZINC000638079160 374638099 /nfs/dbraw/zinc/63/80/99/374638099.db2.gz BIZPUXMZRCVXGX-ZFWWWQNUSA-N 2 2 292.427 0.512 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000638067140 374611910 /nfs/dbraw/zinc/61/19/10/374611910.db2.gz AUOJCGGWZSAZQM-JTQLQIEISA-N 2 2 250.346 0.762 20 0 CCADLP COC[C@]1(C(=O)N[C@H](C)Cn2cc[nH+]c2)CCCC[NH2+]1 ZINC000638072140 374623212 /nfs/dbraw/zinc/62/32/12/374623212.db2.gz CTZOKQVAYQGOAE-OCCSQVGLSA-N 2 2 280.372 0.547 20 0 CCADLP [NH3+]C[C@]1(C(=O)NCCCNc2cccc[nH+]2)CCCOC1 ZINC000638074002 374628650 /nfs/dbraw/zinc/62/86/50/374628650.db2.gz ZGXHALIJGLSQBB-OAHLLOKOSA-N 2 2 292.383 0.755 20 0 CCADLP C[C@@]1(C(=O)N2CCC(n3cc[nH+]c3)CC2)C[NH2+]CCO1 ZINC000638089249 374648568 /nfs/dbraw/zinc/64/85/68/374648568.db2.gz USUZCJOSSGQACZ-AWEZNQCLSA-N 2 2 278.356 0.425 20 0 CCADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000638090336 374650710 /nfs/dbraw/zinc/65/07/10/374650710.db2.gz IPEDVCQGVXWJCF-IUODEOHRSA-N 2 2 292.383 0.883 20 0 CCADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000638098971 374661515 /nfs/dbraw/zinc/66/15/15/374661515.db2.gz JLRVHNDLEYBTEQ-IUODEOHRSA-N 2 2 292.383 0.603 20 0 CCADLP COc1cccc([C@@H]([NH3+])C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000638110932 374678620 /nfs/dbraw/zinc/67/86/20/374678620.db2.gz ABDRMMJDVCSFGF-CYBMUJFWSA-N 2 2 274.324 0.777 20 0 CCADLP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NCc1[nH]cc[nH+]1 ZINC000638115353 374683125 /nfs/dbraw/zinc/68/31/25/374683125.db2.gz QSESAJJPPKBFRO-CYBMUJFWSA-N 2 2 287.367 0.485 20 0 CCADLP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)NCc1[nH]cc[nH+]1 ZINC000638115353 374683127 /nfs/dbraw/zinc/68/31/27/374683127.db2.gz QSESAJJPPKBFRO-CYBMUJFWSA-N 2 2 287.367 0.485 20 0 CCADLP O=c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c[nH]1 ZINC000638119069 374686940 /nfs/dbraw/zinc/68/69/40/374686940.db2.gz IEKHFAPRXYKDAQ-AWEZNQCLSA-N 2 2 277.368 0.941 20 0 CCADLP O=c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c[nH]1 ZINC000638119069 374686943 /nfs/dbraw/zinc/68/69/43/374686943.db2.gz IEKHFAPRXYKDAQ-AWEZNQCLSA-N 2 2 277.368 0.941 20 0 CCADLP [NH3+]C[C@@]1(C(=O)NCc2ccn3cc[nH+]c3c2)CCCOC1 ZINC000638119137 374687321 /nfs/dbraw/zinc/68/73/21/374687321.db2.gz JWKSTOSCQZSSHY-HNNXBMFYSA-N 2 2 288.351 0.706 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000638214777 374803074 /nfs/dbraw/zinc/80/30/74/374803074.db2.gz DNUWDMHURBVFNR-AWEZNQCLSA-N 2 2 285.351 0.760 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)[nH+]1 ZINC000638203671 374789450 /nfs/dbraw/zinc/78/94/50/374789450.db2.gz NJVFKQTYBWYNHT-GXSJLCMTSA-N 2 2 250.346 0.629 20 0 CCADLP Cc1nc(N2CCN(C(=O)C3=CC[C@H]([NH3+])C3)CC2)cc[nH+]1 ZINC000638285883 374893330 /nfs/dbraw/zinc/89/33/30/374893330.db2.gz JULPWQOJCBPSDW-ZDUSSCGKSA-N 2 2 287.367 0.481 20 0 CCADLP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000638246302 374839270 /nfs/dbraw/zinc/83/92/70/374839270.db2.gz ANGHJLQUDSRUMS-AXTSPUMRSA-N 2 2 252.293 0.329 20 0 CCADLP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000638246302 374839279 /nfs/dbraw/zinc/83/92/79/374839279.db2.gz ANGHJLQUDSRUMS-AXTSPUMRSA-N 2 2 252.293 0.329 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000638255277 374851300 /nfs/dbraw/zinc/85/13/00/374851300.db2.gz YYZXYNQHFLPABI-AAEUAGOBSA-N 2 2 257.353 0.631 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000638255277 374851307 /nfs/dbraw/zinc/85/13/07/374851307.db2.gz YYZXYNQHFLPABI-AAEUAGOBSA-N 2 2 257.353 0.631 20 0 CCADLP [NH3+]Cc1ncc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cn1 ZINC000638291028 374899921 /nfs/dbraw/zinc/89/99/21/374899921.db2.gz YNSMFUGCCSBSCJ-LBPRGKRZSA-N 2 2 298.350 0.339 20 0 CCADLP Cc1cn2ccc(C(=O)NC[C@H]3C[NH2+]CCO3)cc2[nH+]1 ZINC000638338080 374939744 /nfs/dbraw/zinc/93/97/44/374939744.db2.gz QPVSFPKTXXEKJE-GFCCVEGCSA-N 2 2 274.324 0.361 20 0 CCADLP Cc1cn2ccc(C(=O)N3CCCO[C@@H](C[NH3+])C3)cc2[nH+]1 ZINC000638344485 374944102 /nfs/dbraw/zinc/94/41/02/374944102.db2.gz UFAMOOAYAVQMGA-ZDUSSCGKSA-N 2 2 288.351 0.833 20 0 CCADLP C[NH2+]CCCN(C)C(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000638347239 374948293 /nfs/dbraw/zinc/94/82/93/374948293.db2.gz PNYIEMAGEUCURS-LBPRGKRZSA-N 2 2 264.373 0.822 20 0 CCADLP [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC000638441979 375045071 /nfs/dbraw/zinc/04/50/71/375045071.db2.gz MODLXVYENKSBNX-BIAAXOCRSA-N 2 2 260.341 0.853 20 0 CCADLP [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC000638441979 375045078 /nfs/dbraw/zinc/04/50/78/375045078.db2.gz MODLXVYENKSBNX-BIAAXOCRSA-N 2 2 260.341 0.853 20 0 CCADLP Cc1cn2ccc(C(=O)NCC3([NH3+])CCOCC3)cc2[nH+]1 ZINC000638542190 375133823 /nfs/dbraw/zinc/13/38/23/375133823.db2.gz PGBRENUQUIJBNO-UHFFFAOYSA-N 2 2 288.351 0.880 20 0 CCADLP C[NH2+]CCOCCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000638578573 375157642 /nfs/dbraw/zinc/15/76/42/375157642.db2.gz OTTUGQQMRDIXBE-UHFFFAOYSA-N 2 2 262.313 0.300 20 0 CCADLP CO[C@]1(C[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)CCOC1 ZINC000638583277 375165153 /nfs/dbraw/zinc/16/51/53/375165153.db2.gz YSTURVCIGMPCCT-KGLIPLIRSA-N 2 2 254.374 0.866 20 0 CCADLP CO[C@]1(C[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)CCOC1 ZINC000638583277 375165160 /nfs/dbraw/zinc/16/51/60/375165160.db2.gz YSTURVCIGMPCCT-KGLIPLIRSA-N 2 2 254.374 0.866 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)[nH+]1 ZINC000638640314 375244174 /nfs/dbraw/zinc/24/41/74/375244174.db2.gz QSLLJGBOPYCMGB-KOLCDFICSA-N 2 2 250.346 0.771 20 0 CCADLP C[NH2+]CCc1ccccc1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638608545 375190106 /nfs/dbraw/zinc/19/01/06/375190106.db2.gz BMNSFFZNWUGYJG-AWEZNQCLSA-N 2 2 291.395 0.509 20 0 CCADLP C[NH2+]CCc1ccccc1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000638608545 375190111 /nfs/dbraw/zinc/19/01/11/375190111.db2.gz BMNSFFZNWUGYJG-AWEZNQCLSA-N 2 2 291.395 0.509 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000638611671 375191531 /nfs/dbraw/zinc/19/15/31/375191531.db2.gz PKGNQHSCMIOTGI-SCRDCRAPSA-N 2 2 269.389 0.341 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000638611671 375191536 /nfs/dbraw/zinc/19/15/36/375191536.db2.gz PKGNQHSCMIOTGI-SCRDCRAPSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H](CC(=O)NC[C@@H]1COCC[N@@H+]1C)C1CC[NH2+]CC1 ZINC000638612280 375193683 /nfs/dbraw/zinc/19/36/83/375193683.db2.gz UARVDJDIJHRTBB-GXTWGEPZSA-N 2 2 283.416 0.459 20 0 CCADLP C[C@@H](CC(=O)NC[C@@H]1COCC[N@H+]1C)C1CC[NH2+]CC1 ZINC000638612280 375193690 /nfs/dbraw/zinc/19/36/90/375193690.db2.gz UARVDJDIJHRTBB-GXTWGEPZSA-N 2 2 283.416 0.459 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000638611982 375194902 /nfs/dbraw/zinc/19/49/02/375194902.db2.gz RIUCUVIWANTZSX-CQSZACIVSA-N 2 2 275.352 0.350 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000638611982 375194907 /nfs/dbraw/zinc/19/49/07/375194907.db2.gz RIUCUVIWANTZSX-CQSZACIVSA-N 2 2 275.352 0.350 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000638612629 375196830 /nfs/dbraw/zinc/19/68/30/375196830.db2.gz WDMZLOQGILOROK-ZFWWWQNUSA-N 2 2 289.379 0.668 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000638612629 375196834 /nfs/dbraw/zinc/19/68/34/375196834.db2.gz WDMZLOQGILOROK-ZFWWWQNUSA-N 2 2 289.379 0.668 20 0 CCADLP Cc1nnsc1C[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000638674561 375279064 /nfs/dbraw/zinc/27/90/64/375279064.db2.gz KZOJXBWZXWEJRK-SNVBAGLBSA-N 2 2 270.402 0.904 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CCCNC(=O)C1)C[NH+]1CCOCC1 ZINC000638674838 375279213 /nfs/dbraw/zinc/27/92/13/375279213.db2.gz OAJBDAOQMLMZCC-CHWSQXEVSA-N 2 2 269.389 0.213 20 0 CCADLP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000638739617 375330464 /nfs/dbraw/zinc/33/04/64/375330464.db2.gz ULMBAQBWFJFPRI-JHJVBQTASA-N 2 2 253.390 0.973 20 0 CCADLP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000638739617 375330469 /nfs/dbraw/zinc/33/04/69/375330469.db2.gz ULMBAQBWFJFPRI-JHJVBQTASA-N 2 2 253.390 0.973 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCCC12CC2 ZINC000638795482 375365001 /nfs/dbraw/zinc/36/50/01/375365001.db2.gz ONQDEGBCUBFVGY-RYUDHWBXSA-N 2 2 253.390 0.962 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000638810180 375384760 /nfs/dbraw/zinc/38/47/60/375384760.db2.gz GUCMFDNSWJYMLS-ZNMIVQPWSA-N 2 2 291.395 0.912 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000638927003 375463360 /nfs/dbraw/zinc/46/33/60/375463360.db2.gz QDFYFZIXGJLVJM-UPJWGTAASA-N 2 2 274.368 0.717 20 0 CCADLP CCC1([NH+](C)C)CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000638981308 375495616 /nfs/dbraw/zinc/49/56/16/375495616.db2.gz QRDHVOXWXBPNDK-ZDUSSCGKSA-N 3 2 284.448 0.598 20 0 CCADLP [NH3+]C1(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)CCC1 ZINC000638984816 375498017 /nfs/dbraw/zinc/49/80/17/375498017.db2.gz SHRYKBNDCLUKOG-UHFFFAOYSA-N 3 2 275.356 0.311 20 0 CCADLP Cn1cc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cn1 ZINC000638987739 375499660 /nfs/dbraw/zinc/49/96/60/375499660.db2.gz XTZGNJBEKPFGLX-UHFFFAOYSA-N 2 2 286.339 0.477 20 0 CCADLP COC[C@]1(C(=O)N(C)Cc2[nH]cc[nH+]2)CCC[NH2+]1 ZINC000639017533 375521424 /nfs/dbraw/zinc/52/14/24/375521424.db2.gz WLVQOHDDVMMADO-LBPRGKRZSA-N 2 2 252.318 0.137 20 0 CCADLP CCN(CCC[NH+](C)C)Cc1c[nH+]c(N)nc1N ZINC000639175448 375619121 /nfs/dbraw/zinc/61/91/21/375619121.db2.gz NAKOZQHEHQIOCG-UHFFFAOYSA-N 2 2 252.366 0.075 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](C)NCc1c[nH+]c(N)nc1N ZINC000639191356 375626589 /nfs/dbraw/zinc/62/65/89/375626589.db2.gz ICNOTFOQMLLNEQ-SECBINFHSA-N 2 2 252.366 0.120 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](C)NCc1c[nH+]c(N)nc1N ZINC000639191356 375626594 /nfs/dbraw/zinc/62/65/94/375626594.db2.gz ICNOTFOQMLLNEQ-SECBINFHSA-N 2 2 252.366 0.120 20 0 CCADLP CCC[N@H+](CC)C[C@H](C)NCc1c[nH+]c(N)nc1N ZINC000639198947 375627680 /nfs/dbraw/zinc/62/76/80/375627680.db2.gz TUCAFWFTGHYTKZ-JTQLQIEISA-N 2 2 266.393 0.512 20 0 CCADLP CCC[N@@H+](CC)C[C@H](C)NCc1c[nH+]c(N)nc1N ZINC000639198947 375627685 /nfs/dbraw/zinc/62/76/85/375627685.db2.gz TUCAFWFTGHYTKZ-JTQLQIEISA-N 2 2 266.393 0.512 20 0 CCADLP C[N@@H+]1CCC[C@]2(CCN(Cc3c[nH+]c(N)nc3N)C2)C1 ZINC000639208514 375633166 /nfs/dbraw/zinc/63/31/66/375633166.db2.gz WWUVXUNMELLMCQ-AWEZNQCLSA-N 2 2 276.388 0.219 20 0 CCADLP C[N@H+]1CCC[C@]2(CCN(Cc3c[nH+]c(N)nc3N)C2)C1 ZINC000639208514 375633171 /nfs/dbraw/zinc/63/31/71/375633171.db2.gz WWUVXUNMELLMCQ-AWEZNQCLSA-N 2 2 276.388 0.219 20 0 CCADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cnc(N)nc3N)C2)C1 ZINC000639208514 375633176 /nfs/dbraw/zinc/63/31/76/375633176.db2.gz WWUVXUNMELLMCQ-AWEZNQCLSA-N 2 2 276.388 0.219 20 0 CCADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cnc(N)nc3N)C2)C1 ZINC000639208514 375633182 /nfs/dbraw/zinc/63/31/82/375633182.db2.gz WWUVXUNMELLMCQ-AWEZNQCLSA-N 2 2 276.388 0.219 20 0 CCADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cnc(N)nc3N)C2)C1 ZINC000639208514 375633188 /nfs/dbraw/zinc/63/31/88/375633188.db2.gz WWUVXUNMELLMCQ-AWEZNQCLSA-N 2 2 276.388 0.219 20 0 CCADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cnc(N)nc3N)C2)C1 ZINC000639208514 375633193 /nfs/dbraw/zinc/63/31/93/375633193.db2.gz WWUVXUNMELLMCQ-AWEZNQCLSA-N 2 2 276.388 0.219 20 0 CCADLP C[NH2+]C[C@@H]1CCCN(CC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000574638240 335035952 /nfs/dbraw/zinc/03/59/52/335035952.db2.gz ZKLNTBGLMVJMLG-KGLIPLIRSA-N 2 2 255.406 0.639 20 0 CCADLP C[NH2+]C[C@@H]1CCCN(CC[N@H+]2CCO[C@H](C)C2)C1 ZINC000574638240 335035954 /nfs/dbraw/zinc/03/59/54/335035954.db2.gz ZKLNTBGLMVJMLG-KGLIPLIRSA-N 2 2 255.406 0.639 20 0 CCADLP O=c1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c[nH]1 ZINC000639331824 375731697 /nfs/dbraw/zinc/73/16/97/375731697.db2.gz ZVFQEABJIXMKLH-CQSZACIVSA-N 2 2 277.368 0.818 20 0 CCADLP O=c1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c[nH]1 ZINC000639331824 375731701 /nfs/dbraw/zinc/73/17/01/375731701.db2.gz ZVFQEABJIXMKLH-CQSZACIVSA-N 2 2 277.368 0.818 20 0 CCADLP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCC2(CC[NH2+]C2)CC1 ZINC000334284580 284542832 /nfs/dbraw/zinc/54/28/32/284542832.db2.gz JUTDBCSPNGNNRK-SNVBAGLBSA-N 2 2 273.327 0.586 20 0 CCADLP C[C@H]1OCC[C@H]1C[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000639480158 375801270 /nfs/dbraw/zinc/80/12/70/375801270.db2.gz FRSOAUUUPZTTMT-KGLIPLIRSA-N 2 2 278.400 0.963 20 0 CCADLP Cc1cc(C)c(C[N@H+]2C[C@H](O)C[C@H](O)C2)c(C)[nH+]1 ZINC000639509168 375816211 /nfs/dbraw/zinc/81/62/11/375816211.db2.gz YJNPAXDQASSERW-BETUJISGSA-N 2 2 250.342 0.934 20 0 CCADLP Cc1cc(C)c(C[N@@H+]2C[C@H](O)C[C@H](O)C2)c(C)[nH+]1 ZINC000639509168 375816215 /nfs/dbraw/zinc/81/62/15/375816215.db2.gz YJNPAXDQASSERW-BETUJISGSA-N 2 2 250.342 0.934 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000639515465 375819113 /nfs/dbraw/zinc/81/91/13/375819113.db2.gz LFBWROZWKYJCBX-KBPBESRZSA-N 2 2 265.357 0.842 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000639515465 375819116 /nfs/dbraw/zinc/81/91/16/375819116.db2.gz LFBWROZWKYJCBX-KBPBESRZSA-N 2 2 265.357 0.842 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H]1CCc2ncnn21 ZINC000639551274 375832111 /nfs/dbraw/zinc/83/21/11/375832111.db2.gz ISHJFAFCXLKSEK-GFCCVEGCSA-N 2 2 260.345 0.984 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H]1CCc2ncnn21 ZINC000639551274 375832113 /nfs/dbraw/zinc/83/21/13/375832113.db2.gz ISHJFAFCXLKSEK-GFCCVEGCSA-N 2 2 260.345 0.984 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000639648270 375886212 /nfs/dbraw/zinc/88/62/12/375886212.db2.gz NJFPNFHADWFIQP-ZDUSSCGKSA-N 2 2 276.384 0.907 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000639648270 375886219 /nfs/dbraw/zinc/88/62/19/375886219.db2.gz NJFPNFHADWFIQP-ZDUSSCGKSA-N 2 2 276.384 0.907 20 0 CCADLP O=c1[nH]nc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)[nH]1 ZINC000639701820 375930397 /nfs/dbraw/zinc/93/03/97/375930397.db2.gz CGPIEDJXVGJLHI-UHFFFAOYSA-N 2 2 274.328 0.618 20 0 CCADLP O=c1[nH]nc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)[nH]1 ZINC000639701820 375930401 /nfs/dbraw/zinc/93/04/01/375930401.db2.gz CGPIEDJXVGJLHI-UHFFFAOYSA-N 2 2 274.328 0.618 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764472 375993038 /nfs/dbraw/zinc/99/30/38/375993038.db2.gz ZZAGSBPSARAVHF-OAHLLOKOSA-N 3 2 280.416 0.970 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764472 375993044 /nfs/dbraw/zinc/99/30/44/375993044.db2.gz ZZAGSBPSARAVHF-OAHLLOKOSA-N 3 2 280.416 0.970 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@@](C)(O)C(F)(F)F)C1 ZINC000639766362 375995353 /nfs/dbraw/zinc/99/53/53/375995353.db2.gz NPVFJSJHPXJPMX-MNOVXSKESA-N 2 2 284.322 0.688 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@@](C)(O)C(F)(F)F)C1 ZINC000639766362 375995359 /nfs/dbraw/zinc/99/53/59/375995359.db2.gz NPVFJSJHPXJPMX-MNOVXSKESA-N 2 2 284.322 0.688 20 0 CCADLP CC[N@H+](C)C[C@@H](O)CN[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000639774229 376003323 /nfs/dbraw/zinc/00/33/23/376003323.db2.gz ZTEULZUABMXIHG-QWHCGFSZSA-N 2 2 298.431 0.382 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)CN[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000639774229 376003327 /nfs/dbraw/zinc/00/33/27/376003327.db2.gz ZTEULZUABMXIHG-QWHCGFSZSA-N 2 2 298.431 0.382 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762724 375989847 /nfs/dbraw/zinc/98/98/47/375989847.db2.gz MXOIFMLKFZTBER-HNNXBMFYSA-N 3 2 280.416 0.741 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762724 375989852 /nfs/dbraw/zinc/98/98/52/375989852.db2.gz MXOIFMLKFZTBER-HNNXBMFYSA-N 3 2 280.416 0.741 20 0 CCADLP Cn1cncc1CCC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762724 375989856 /nfs/dbraw/zinc/98/98/56/375989856.db2.gz MXOIFMLKFZTBER-HNNXBMFYSA-N 2 2 280.416 0.741 20 0 CCADLP Cn1cncc1CCC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762724 375989858 /nfs/dbraw/zinc/98/98/58/375989858.db2.gz MXOIFMLKFZTBER-HNNXBMFYSA-N 2 2 280.416 0.741 20 0 CCADLP CO[C@H]1C[N@H+](CCCn2cc[nH+]c2)[C@](C)(CO)C1 ZINC000639997857 376174389 /nfs/dbraw/zinc/17/43/89/376174389.db2.gz CGNLDNHMGPNPAW-OLZOCXBDSA-N 2 2 253.346 0.745 20 0 CCADLP CO[C@H]1C[N@@H+](CCCn2cc[nH+]c2)[C@](C)(CO)C1 ZINC000639997857 376174392 /nfs/dbraw/zinc/17/43/92/376174392.db2.gz CGNLDNHMGPNPAW-OLZOCXBDSA-N 2 2 253.346 0.745 20 0 CCADLP CO[C@@H]1C[N@H+](CCCn2cc[nH+]c2)[C@](C)(CO)C1 ZINC000639997859 376175390 /nfs/dbraw/zinc/17/53/90/376175390.db2.gz CGNLDNHMGPNPAW-STQMWFEESA-N 2 2 253.346 0.745 20 0 CCADLP CO[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)[C@](C)(CO)C1 ZINC000639997859 376175393 /nfs/dbraw/zinc/17/53/93/376175393.db2.gz CGNLDNHMGPNPAW-STQMWFEESA-N 2 2 253.346 0.745 20 0 CCADLP C[N@H+](CCn1cc(Cl)cn1)CC(=O)N1CC[NH+](C)CC1 ZINC000640051692 376218256 /nfs/dbraw/zinc/21/82/56/376218256.db2.gz WGQLPUOVVZWAPZ-UHFFFAOYSA-N 2 2 299.806 0.242 20 0 CCADLP C[N@@H+](CCn1cc(Cl)cn1)CC(=O)N1CC[NH+](C)CC1 ZINC000640051692 376218260 /nfs/dbraw/zinc/21/82/60/376218260.db2.gz WGQLPUOVVZWAPZ-UHFFFAOYSA-N 2 2 299.806 0.242 20 0 CCADLP Cc1noc(CCC[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)n1 ZINC000640057907 376220367 /nfs/dbraw/zinc/22/03/67/376220367.db2.gz HZIHTUXVCVJTLF-UHFFFAOYSA-N 2 2 295.387 0.016 20 0 CCADLP Cc1noc(CCC[N@H+](C)CC(=O)N2CC[NH+](C)CC2)n1 ZINC000640057907 376220371 /nfs/dbraw/zinc/22/03/71/376220371.db2.gz HZIHTUXVCVJTLF-UHFFFAOYSA-N 2 2 295.387 0.016 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCn2nccc21 ZINC000640219952 376286473 /nfs/dbraw/zinc/28/64/73/376286473.db2.gz IYWCQNKYKGHUEX-CHWSQXEVSA-N 2 2 282.388 0.247 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCn2nccc21 ZINC000640219952 376286477 /nfs/dbraw/zinc/28/64/77/376286477.db2.gz IYWCQNKYKGHUEX-CHWSQXEVSA-N 2 2 282.388 0.247 20 0 CCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)CCc1c[nH+]cn1C ZINC000334284459 206309239 /nfs/dbraw/zinc/30/92/39/206309239.db2.gz BILCPNGFCMXBIY-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)CCc1c[nH+]cn1C ZINC000334284459 206309240 /nfs/dbraw/zinc/30/92/40/206309240.db2.gz BILCPNGFCMXBIY-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)N[C@H]1C[NH2+]CC[C@H]1C)CC2 ZINC000640923909 376618037 /nfs/dbraw/zinc/61/80/37/376618037.db2.gz SYKNYNTTZYFXAS-PWSUYJOCSA-N 2 2 277.372 0.715 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CCO1 ZINC000640932009 376622492 /nfs/dbraw/zinc/62/24/92/376622492.db2.gz AEESISXOKLNGPO-MGPQQGTHSA-N 2 2 298.431 0.394 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CCO1 ZINC000640932009 376622495 /nfs/dbraw/zinc/62/24/95/376622495.db2.gz AEESISXOKLNGPO-MGPQQGTHSA-N 2 2 298.431 0.394 20 0 CCADLP Cc1cccn2cc(Cn3cc(C[C@@H]([NH3+])CO)nn3)[nH+]c12 ZINC000640953101 376638304 /nfs/dbraw/zinc/63/83/04/376638304.db2.gz MLNSKOXDZMJFJR-LLVKDONJSA-N 2 2 286.339 0.145 20 0 CCADLP CCc1[nH+]ccn1Cc1cn(Cc2cn(C)c[nH+]2)nn1 ZINC000641054431 376722447 /nfs/dbraw/zinc/72/24/47/376722447.db2.gz ZCJNCUYXCKEVKF-UHFFFAOYSA-N 2 2 271.328 0.867 20 0 CCADLP COc1cc(C)[nH+]c(Cn2cc(COCC[NH3+])nn2)c1 ZINC000641155153 376819194 /nfs/dbraw/zinc/81/91/94/376819194.db2.gz PVDJBTFATLULIE-UHFFFAOYSA-N 2 2 277.328 0.514 20 0 CCADLP CC(C)[NH+]1CCN(S(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000641270488 376956434 /nfs/dbraw/zinc/95/64/34/376956434.db2.gz MJAMUSAZDJWQRV-UHFFFAOYSA-N 2 2 286.401 0.239 20 0 CCADLP OCc1cc[nH+]c(N2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000641398915 377071471 /nfs/dbraw/zinc/07/14/71/377071471.db2.gz KZSJCPQRXFPVEK-CQSZACIVSA-N 2 2 277.368 0.732 20 0 CCADLP CC(C)c1nc(NC[C@H]2CSCC[NH2+]2)nc(N(C)C)[nH+]1 ZINC000641686785 377388314 /nfs/dbraw/zinc/38/83/14/377388314.db2.gz AAGNUVVVPLKFEU-JTQLQIEISA-N 2 2 296.444 0.600 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1cn(C)nc1C ZINC000641773554 377455498 /nfs/dbraw/zinc/45/54/98/377455498.db2.gz XLBDVVKOEUWQSV-CQSZACIVSA-N 2 2 268.405 0.911 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1cn(C)nc1C ZINC000641773553 377455894 /nfs/dbraw/zinc/45/58/94/377455894.db2.gz XLBDVVKOEUWQSV-AWEZNQCLSA-N 2 2 268.405 0.911 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000641798491 377470012 /nfs/dbraw/zinc/47/00/12/377470012.db2.gz JGXGZALEEYOOAB-AWEZNQCLSA-N 3 2 293.415 0.282 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000641798491 377470020 /nfs/dbraw/zinc/47/00/20/377470020.db2.gz JGXGZALEEYOOAB-AWEZNQCLSA-N 3 2 293.415 0.282 20 0 CCADLP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)c1nnnn1C1CC1 ZINC000641801525 377470713 /nfs/dbraw/zinc/47/07/13/377470713.db2.gz RQRURMXHAVMCHT-UJNFCWOMSA-N 2 2 250.350 0.784 20 0 CCADLP CCc1cc(=O)[nH]c(C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)n1 ZINC000641802395 377474231 /nfs/dbraw/zinc/47/42/31/377474231.db2.gz KKHPSBLCFSDKQA-ZJUUUORDSA-N 2 2 250.346 0.960 20 0 CCADLP CCO[C@@H]1C[N@H+](Cc2cc(OC)no2)C[C@H]1C[NH3+] ZINC000641819954 377490207 /nfs/dbraw/zinc/49/02/07/377490207.db2.gz JOPQGPVYBVFRNN-MWLCHTKSSA-N 2 2 255.318 0.479 20 0 CCADLP CCO[C@@H]1C[N@@H+](Cc2cc(OC)no2)C[C@H]1C[NH3+] ZINC000641819954 377490215 /nfs/dbraw/zinc/49/02/15/377490215.db2.gz JOPQGPVYBVFRNN-MWLCHTKSSA-N 2 2 255.318 0.479 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000493194773 249086140 /nfs/dbraw/zinc/08/61/40/249086140.db2.gz ZRFICXRFFBLZBN-IYKSTZQJSA-N 2 2 292.383 0.801 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000514612676 249094196 /nfs/dbraw/zinc/09/41/96/249094196.db2.gz VNSBUSUEJSGFOM-CABCVRRESA-N 2 2 297.443 0.633 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000514612676 249094199 /nfs/dbraw/zinc/09/41/99/249094199.db2.gz VNSBUSUEJSGFOM-CABCVRRESA-N 2 2 297.443 0.633 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000514612676 249094202 /nfs/dbraw/zinc/09/42/02/249094202.db2.gz VNSBUSUEJSGFOM-CABCVRRESA-N 2 2 297.443 0.633 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000514612676 249094204 /nfs/dbraw/zinc/09/42/04/249094204.db2.gz VNSBUSUEJSGFOM-CABCVRRESA-N 2 2 297.443 0.633 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CC(=O)N3CCCC[C@@H]23)n1C ZINC000514925784 249111727 /nfs/dbraw/zinc/11/17/27/249111727.db2.gz YCCFISQJTQVUKJ-STQMWFEESA-N 2 2 291.399 0.729 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](C)C[NH+](C)C ZINC000515356313 249130430 /nfs/dbraw/zinc/13/04/30/249130430.db2.gz VQKWHJXQCQTDGC-WDEREUQCSA-N 2 2 252.362 0.902 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](C)C[NH+](C)C ZINC000515356313 249130432 /nfs/dbraw/zinc/13/04/32/249130432.db2.gz VQKWHJXQCQTDGC-WDEREUQCSA-N 2 2 252.362 0.902 20 0 CCADLP C[C@@](C[NH3+])(NC(=O)c1ccc(-n2cc[nH+]c2)nn1)C1CC1 ZINC000515485895 249135651 /nfs/dbraw/zinc/13/56/51/249135651.db2.gz CGFWZZSGTFPSLL-AWEZNQCLSA-N 2 2 286.339 0.520 20 0 CCADLP [NH3+]C[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)C1CC1 ZINC000518344432 249246515 /nfs/dbraw/zinc/24/65/15/249246515.db2.gz DZRYHCBSNFRBJL-GFCCVEGCSA-N 2 2 273.340 0.871 20 0 CCADLP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)NC[C@@H]1CCCO1 ZINC000517371635 249215839 /nfs/dbraw/zinc/21/58/39/249215839.db2.gz DDEABFLBZOPPNQ-DZGCQCFKSA-N 2 2 281.400 0.357 20 0 CCADLP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)NC[C@@H]1CCCO1 ZINC000517371635 249215843 /nfs/dbraw/zinc/21/58/43/249215843.db2.gz DDEABFLBZOPPNQ-DZGCQCFKSA-N 2 2 281.400 0.357 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000518887159 249264661 /nfs/dbraw/zinc/26/46/61/249264661.db2.gz ACXRRJJWNRPXQF-INIZCTEOSA-N 3 2 299.459 0.343 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000518887159 249264663 /nfs/dbraw/zinc/26/46/63/249264663.db2.gz ACXRRJJWNRPXQF-INIZCTEOSA-N 3 2 299.459 0.343 20 0 CCADLP Nc1[nH+]cnc(N2CC[C@]3(CC[NH2+]C3)C2)c1Cl ZINC000643026834 377694965 /nfs/dbraw/zinc/69/49/65/377694965.db2.gz MSJCQAALQNQVKH-NSHDSACASA-N 2 2 253.737 0.902 20 0 CCADLP Nc1nc[nH+]c(N2CC[C@]3(CC[NH2+]C3)C2)c1Cl ZINC000643026834 377694969 /nfs/dbraw/zinc/69/49/69/377694969.db2.gz MSJCQAALQNQVKH-NSHDSACASA-N 2 2 253.737 0.902 20 0 CCADLP c1nc(NC[C@H]2CCCC[NH2+]2)cc(N2CCOCC2)[nH+]1 ZINC000642996346 377683060 /nfs/dbraw/zinc/68/30/60/377683060.db2.gz WDPKHGQYOBIDTL-GFCCVEGCSA-N 2 2 277.372 0.867 20 0 CCADLP C[C@@H]1CCN(c2ncnc3c2C[N@H+](C)CC3)C[C@@H]1C[NH3+] ZINC000643052330 377707164 /nfs/dbraw/zinc/70/71/64/377707164.db2.gz SSSJNSMPNHREKK-NEPJUHHUSA-N 2 2 275.400 0.886 20 0 CCADLP C[C@@H]1CCN(c2ncnc3c2C[N@@H+](C)CC3)C[C@@H]1C[NH3+] ZINC000643052330 377707173 /nfs/dbraw/zinc/70/71/73/377707173.db2.gz SSSJNSMPNHREKK-NEPJUHHUSA-N 2 2 275.400 0.886 20 0 CCADLP C[NH2+]CCCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000121301307 284678978 /nfs/dbraw/zinc/67/89/78/284678978.db2.gz HDEDGSREAZURLD-UHFFFAOYSA-N 2 2 291.395 0.858 20 0 CCADLP CC(C)N(C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000657091739 412886431 /nfs/dbraw/zinc/88/64/31/412886431.db2.gz OWOPVYDJFAUMSE-UHFFFAOYSA-N 2 2 258.410 0.920 20 0 CCADLP CC(C)N(C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000657091739 412886433 /nfs/dbraw/zinc/88/64/33/412886433.db2.gz OWOPVYDJFAUMSE-UHFFFAOYSA-N 2 2 258.410 0.920 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1CC[NH+](C2CC2)CC1 ZINC000278577729 194052525 /nfs/dbraw/zinc/05/25/25/194052525.db2.gz SJJKJEAAHRTGAP-UHFFFAOYSA-N 2 2 262.357 0.874 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1CCCNC1=O ZINC000657284164 412951272 /nfs/dbraw/zinc/95/12/72/412951272.db2.gz QVZAXROHDPUXOQ-NQBHXWOUSA-N 2 2 251.374 0.585 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1CCCNC1=O ZINC000657284164 412951273 /nfs/dbraw/zinc/95/12/73/412951273.db2.gz QVZAXROHDPUXOQ-NQBHXWOUSA-N 2 2 251.374 0.585 20 0 CCADLP O=S1(=O)CC[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657294690 412954869 /nfs/dbraw/zinc/95/48/69/412954869.db2.gz VJUANKHIYWPVAK-NSHDSACASA-N 2 2 292.364 0.544 20 0 CCADLP O=C(C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)NC1CC1 ZINC000657304816 412956074 /nfs/dbraw/zinc/95/60/74/412956074.db2.gz IPYQWDAPVSYDGI-UHFFFAOYSA-N 2 2 271.324 0.636 20 0 CCADLP C[NH+]1CCN(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC000334930184 207311444 /nfs/dbraw/zinc/31/14/44/207311444.db2.gz JZLOIRHFCDQDBT-JTQLQIEISA-N 2 2 276.331 0.188 20 0 CCADLP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1nnnn1CC1CC1 ZINC000571073283 291789118 /nfs/dbraw/zinc/78/91/18/291789118.db2.gz ORBALNOHBYOSFP-VXGBXAGGSA-N 2 2 264.377 0.690 20 0 CCADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CCn1cc[nH+]c1 ZINC000334964231 207373590 /nfs/dbraw/zinc/37/35/90/207373590.db2.gz CQSQAIYTRCXVCW-RYUDHWBXSA-N 2 2 250.346 0.824 20 0 CCADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CCn1cc[nH+]c1 ZINC000334964231 207373592 /nfs/dbraw/zinc/37/35/92/207373592.db2.gz CQSQAIYTRCXVCW-RYUDHWBXSA-N 2 2 250.346 0.824 20 0 CCADLP Cc1c[nH]c(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)n1 ZINC000657349359 412964315 /nfs/dbraw/zinc/96/43/15/412964315.db2.gz RJMPFMGTUKJULP-LBPRGKRZSA-N 2 2 251.378 0.444 20 0 CCADLP COCCN1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2CCO)C1 ZINC000449389083 532985357 /nfs/dbraw/zinc/98/53/57/532985357.db2.gz BWNVUCZKVQKXNW-LSDHHAIUSA-N 2 2 285.432 0.144 20 0 CCADLP COCCN1CC[C@H]([NH2+]C[C@H]2CCCC[N@H+]2CCO)C1 ZINC000449389083 532985361 /nfs/dbraw/zinc/98/53/61/532985361.db2.gz BWNVUCZKVQKXNW-LSDHHAIUSA-N 2 2 285.432 0.144 20 0 CCADLP CCS(=O)(=O)NCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246580554 285025949 /nfs/dbraw/zinc/02/59/49/285025949.db2.gz FKCWCXWSDGMELA-RYUDHWBXSA-N 2 2 277.434 0.340 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246580554 285025950 /nfs/dbraw/zinc/02/59/50/285025950.db2.gz FKCWCXWSDGMELA-RYUDHWBXSA-N 2 2 277.434 0.340 20 0 CCADLP CCS(=O)(=O)NCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246580554 285025951 /nfs/dbraw/zinc/02/59/51/285025951.db2.gz FKCWCXWSDGMELA-RYUDHWBXSA-N 2 2 277.434 0.340 20 0 CCADLP CCS(=O)(=O)NCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246580554 285025952 /nfs/dbraw/zinc/02/59/52/285025952.db2.gz FKCWCXWSDGMELA-RYUDHWBXSA-N 2 2 277.434 0.340 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000571677304 291830802 /nfs/dbraw/zinc/83/08/02/291830802.db2.gz WXTGALNKVVAYOD-JTQLQIEISA-N 2 2 297.403 0.871 20 0 CCADLP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000420359226 296351112 /nfs/dbraw/zinc/35/11/12/296351112.db2.gz VFJROKCUXVIYOE-JHJVBQTASA-N 2 2 271.405 0.275 20 0 CCADLP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420359226 296351114 /nfs/dbraw/zinc/35/11/14/296351114.db2.gz VFJROKCUXVIYOE-JHJVBQTASA-N 2 2 271.405 0.275 20 0 CCADLP C[C@H](CNC(=O)[C@@H](c1c[nH+]cn1C)N(C)C)[N@H+](C)C1CC1 ZINC000281046057 195081618 /nfs/dbraw/zinc/08/16/18/195081618.db2.gz WWQXXVGKWMLJTB-BXUZGUMPSA-N 2 2 293.415 0.622 20 0 CCADLP C[C@H](CNC(=O)[C@@H](c1c[nH+]cn1C)N(C)C)[N@@H+](C)C1CC1 ZINC000281046057 195081620 /nfs/dbraw/zinc/08/16/20/195081620.db2.gz WWQXXVGKWMLJTB-BXUZGUMPSA-N 2 2 293.415 0.622 20 0 CCADLP COCC[C@@](C)(O)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657364869 412974885 /nfs/dbraw/zinc/97/48/85/412974885.db2.gz BAZAMJFTLWHZCJ-CYBMUJFWSA-N 2 2 253.346 0.706 20 0 CCADLP O=S1(=O)CCC[C@H]1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657399056 412983169 /nfs/dbraw/zinc/98/31/69/412983169.db2.gz GPHHXMSYUNMAOF-NSHDSACASA-N 2 2 269.370 0.496 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CC2(CO)CCOCC2)n1C ZINC000657413446 412984468 /nfs/dbraw/zinc/98/44/68/412984468.db2.gz VKJVEXLTHWBHRS-UHFFFAOYSA-N 2 2 253.346 0.607 20 0 CCADLP C[C@H]1C[N@H+](CCN2CC[C@@H](C[NH+](C)C)C2)CCO1 ZINC000249299185 285109979 /nfs/dbraw/zinc/10/99/79/285109979.db2.gz RUHDHAZMDLQFOT-KBPBESRZSA-N 2 2 255.406 0.591 20 0 CCADLP C[C@H]1C[N@@H+](CCN2CC[C@@H](C[NH+](C)C)C2)CCO1 ZINC000249299185 285109980 /nfs/dbraw/zinc/10/99/80/285109980.db2.gz RUHDHAZMDLQFOT-KBPBESRZSA-N 2 2 255.406 0.591 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418220933 533082208 /nfs/dbraw/zinc/08/22/08/533082208.db2.gz VERZLPOYTYBQFK-ZYHUDNBSSA-N 2 2 278.356 0.887 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cnn(C)c1C ZINC000574820025 335050272 /nfs/dbraw/zinc/05/02/72/335050272.db2.gz NBDCHXWWQDDAOF-AAEUAGOBSA-N 2 2 284.404 0.318 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cnn(C)c1C ZINC000574820025 335050274 /nfs/dbraw/zinc/05/02/74/335050274.db2.gz NBDCHXWWQDDAOF-AAEUAGOBSA-N 2 2 284.404 0.318 20 0 CCADLP C[C@H]1OCC[C@]1(O)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657454770 412997076 /nfs/dbraw/zinc/99/70/76/412997076.db2.gz LVAVFHHEGNVMTR-MFKMUULPSA-N 2 2 251.330 0.459 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000492948407 285262104 /nfs/dbraw/zinc/26/21/04/285262104.db2.gz IETXVSHLPZBVEI-UPHRSURJSA-N 2 2 272.312 0.495 20 0 CCADLP Cc1[nH+]cc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)n1C ZINC000521464393 285281473 /nfs/dbraw/zinc/28/14/73/285281473.db2.gz VAHQECOOUFKPOH-UHFFFAOYSA-N 3 2 279.432 0.844 20 0 CCADLP CC[N@H+](CCNC(=O)N[C@@H](C)C[NH+]1CCOCC1)C1CC1 ZINC000171158403 335057069 /nfs/dbraw/zinc/05/70/69/335057069.db2.gz WLQBSCGOOBJYFS-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@@H+](CCNC(=O)N[C@@H](C)C[NH+]1CCOCC1)C1CC1 ZINC000171158403 335057070 /nfs/dbraw/zinc/05/70/70/335057070.db2.gz WLQBSCGOOBJYFS-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@H+](CC(=O)N[C@H](C)CCN1CC[NH+](C)CC1)C1CC1 ZINC000184353017 388773318 /nfs/dbraw/zinc/77/33/18/388773318.db2.gz ULLNGVHGECDGHU-CQSZACIVSA-N 2 2 296.459 0.613 20 0 CCADLP CC[N@@H+](CC(=O)N[C@H](C)CCN1CC[NH+](C)CC1)C1CC1 ZINC000184353017 388773325 /nfs/dbraw/zinc/77/33/25/388773325.db2.gz ULLNGVHGECDGHU-CQSZACIVSA-N 2 2 296.459 0.613 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(Cc2[nH+]ccn2C)[C@@H](C)C1 ZINC000189568424 388964200 /nfs/dbraw/zinc/96/42/00/388964200.db2.gz NIWGDFZMEXLYFU-NWDGAFQWSA-N 2 2 252.362 0.307 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(Cc2[nH+]ccn2C)[C@@H](C)C1 ZINC000189568424 388964201 /nfs/dbraw/zinc/96/42/01/388964201.db2.gz NIWGDFZMEXLYFU-NWDGAFQWSA-N 2 2 252.362 0.307 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCN1C(=O)CCC1=O ZINC000063195109 388941474 /nfs/dbraw/zinc/94/14/74/388941474.db2.gz LXJYVAKXBRPWOK-WDEREUQCSA-N 2 2 253.346 0.337 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCN1C(=O)CCC1=O ZINC000063195109 388941475 /nfs/dbraw/zinc/94/14/75/388941475.db2.gz LXJYVAKXBRPWOK-WDEREUQCSA-N 2 2 253.346 0.337 20 0 CCADLP C[C@@H]1CN(c2cc(-n3cccn3)nc(N)[nH+]2)C[C@H](C)[N@H+]1C ZINC000292918737 388969429 /nfs/dbraw/zinc/96/94/29/388969429.db2.gz YECFXJXKCFXAME-PHIMTYICSA-N 2 2 287.371 0.773 20 0 CCADLP C[C@@H]1CN(c2cc(-n3cccn3)nc(N)[nH+]2)C[C@H](C)[N@@H+]1C ZINC000292918737 388969431 /nfs/dbraw/zinc/96/94/31/388969431.db2.gz YECFXJXKCFXAME-PHIMTYICSA-N 2 2 287.371 0.773 20 0 CCADLP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000295198236 388994423 /nfs/dbraw/zinc/99/44/23/388994423.db2.gz OTLXYPZAYGYIFT-OCCSQVGLSA-N 2 2 277.368 0.442 20 0 CCADLP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000295198236 388994427 /nfs/dbraw/zinc/99/44/27/388994427.db2.gz OTLXYPZAYGYIFT-OCCSQVGLSA-N 2 2 277.368 0.442 20 0 CCADLP C[C@H]1CC[C@H](C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)O1 ZINC000190724835 388997585 /nfs/dbraw/zinc/99/75/85/388997585.db2.gz NBUOUXFKEXBQDF-ZNMIVQPWSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@H]1CC[C@H](C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)O1 ZINC000190724835 388997590 /nfs/dbraw/zinc/99/75/90/388997590.db2.gz NBUOUXFKEXBQDF-ZNMIVQPWSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000354207598 389017460 /nfs/dbraw/zinc/01/74/60/389017460.db2.gz MQGCXDMINDRBQB-NEPJUHHUSA-N 2 2 262.357 0.923 20 0 CCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000354207598 389017463 /nfs/dbraw/zinc/01/74/63/389017463.db2.gz MQGCXDMINDRBQB-NEPJUHHUSA-N 2 2 262.357 0.923 20 0 CCADLP C[N@H+](CCO)C1CC[NH+]([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000336824827 389024575 /nfs/dbraw/zinc/02/45/75/389024575.db2.gz WFAMJCHYHMKVGL-AWEZNQCLSA-N 2 2 281.400 0.138 20 0 CCADLP C[N@@H+](CCO)C1CC[NH+]([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000336824827 389024578 /nfs/dbraw/zinc/02/45/78/389024578.db2.gz WFAMJCHYHMKVGL-AWEZNQCLSA-N 2 2 281.400 0.138 20 0 CCADLP C[C@H]1C[N@@H+](C2CC[NH+](C[C@@H]3COCCO3)CC2)CCO1 ZINC000336823198 389024591 /nfs/dbraw/zinc/02/45/91/389024591.db2.gz OOHCFLNUMPJUAG-DZGCQCFKSA-N 2 2 284.400 0.587 20 0 CCADLP C[C@H]1C[N@H+](C2CC[NH+](C[C@@H]3COCCO3)CC2)CCO1 ZINC000336823198 389024593 /nfs/dbraw/zinc/02/45/93/389024593.db2.gz OOHCFLNUMPJUAG-DZGCQCFKSA-N 2 2 284.400 0.587 20 0 CCADLP Cn1ncc2c1nc(N1CCC([NH+](C)C)CC1)[nH+]c2N ZINC000302534115 389073133 /nfs/dbraw/zinc/07/31/33/389073133.db2.gz GESABQYNGZSWLF-UHFFFAOYSA-N 2 2 275.360 0.476 20 0 CCADLP CC[NH+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000193591844 389074113 /nfs/dbraw/zinc/07/41/13/389074113.db2.gz SLCJOEYZPDOIPZ-ZDUSSCGKSA-N 2 2 284.404 0.054 20 0 CCADLP C[C@H]1CCC[N@H+](CCNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000338149603 389079887 /nfs/dbraw/zinc/07/98/87/389079887.db2.gz HERLHDGMGMNUGA-AWEZNQCLSA-N 2 2 297.443 0.945 20 0 CCADLP C[C@H]1CCC[N@@H+](CCNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000338149603 389079889 /nfs/dbraw/zinc/07/98/89/389079889.db2.gz HERLHDGMGMNUGA-AWEZNQCLSA-N 2 2 297.443 0.945 20 0 CCADLP CC(C)C[C@@H](CNC1=[NH+]CCCN1)[NH+]1CCOCC1 ZINC000303263572 389081194 /nfs/dbraw/zinc/08/11/94/389081194.db2.gz RBTCEVBOMJKMGU-ZDUSSCGKSA-N 2 2 268.405 0.672 20 0 CCADLP C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCOCC2)CC[N@H+]1C ZINC000338174506 389084220 /nfs/dbraw/zinc/08/42/20/389084220.db2.gz LXQJIFWINJLQKQ-QWHCGFSZSA-N 2 2 283.416 0.696 20 0 CCADLP C[N@H+]1CC=C(CNC(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000338183300 389086149 /nfs/dbraw/zinc/08/61/49/389086149.db2.gz YQXKVZFBHSYSFQ-UHFFFAOYSA-N 2 2 281.400 0.475 20 0 CCADLP C[N@@H+]1CC=C(CNC(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000338183300 389086151 /nfs/dbraw/zinc/08/61/51/389086151.db2.gz YQXKVZFBHSYSFQ-UHFFFAOYSA-N 2 2 281.400 0.475 20 0 CCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000355042258 389038213 /nfs/dbraw/zinc/03/82/13/389038213.db2.gz KGZJYQSNQLRNAM-BXUZGUMPSA-N 2 2 292.383 0.492 20 0 CCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000355042258 389038216 /nfs/dbraw/zinc/03/82/16/389038216.db2.gz KGZJYQSNQLRNAM-BXUZGUMPSA-N 2 2 292.383 0.492 20 0 CCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000355042258 389038223 /nfs/dbraw/zinc/03/82/23/389038223.db2.gz KGZJYQSNQLRNAM-BXUZGUMPSA-N 2 2 292.383 0.492 20 0 CCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000355042258 389038226 /nfs/dbraw/zinc/03/82/26/389038226.db2.gz KGZJYQSNQLRNAM-BXUZGUMPSA-N 2 2 292.383 0.492 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCOC[C@H](C)C2)CC1 ZINC000338249896 389097618 /nfs/dbraw/zinc/09/76/18/389097618.db2.gz GSLPGFTYHYPNFU-ZIAGYGMSSA-N 2 2 283.416 0.507 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCOC[C@H](C)C2)CC1 ZINC000338249896 389097620 /nfs/dbraw/zinc/09/76/20/389097620.db2.gz GSLPGFTYHYPNFU-ZIAGYGMSSA-N 2 2 283.416 0.507 20 0 CCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313338307 389112624 /nfs/dbraw/zinc/11/26/24/389112624.db2.gz BELNEQVZXAMJCJ-VXGBXAGGSA-N 2 2 257.378 0.293 20 0 CCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313338307 389112626 /nfs/dbraw/zinc/11/26/26/389112626.db2.gz BELNEQVZXAMJCJ-VXGBXAGGSA-N 2 2 257.378 0.293 20 0 CCADLP COc1cc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)cc2c1OCO2 ZINC000313330492 389112710 /nfs/dbraw/zinc/11/27/10/389112710.db2.gz AGFWKJPLQILMBE-GFCCVEGCSA-N 2 2 294.351 0.974 20 0 CCADLP COc1cc(C[N@H+]2CCCO[C@H](C[NH3+])C2)cc2c1OCO2 ZINC000313330492 389112712 /nfs/dbraw/zinc/11/27/12/389112712.db2.gz AGFWKJPLQILMBE-GFCCVEGCSA-N 2 2 294.351 0.974 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2COc3ccccc3C2)[C@@H](C[NH3+])C1 ZINC000226607958 389148579 /nfs/dbraw/zinc/14/85/79/389148579.db2.gz HTTZBXOJNWAIEZ-KBPBESRZSA-N 2 2 289.379 0.339 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2COc3ccccc3C2)[C@@H](C[NH3+])C1 ZINC000226607958 389148581 /nfs/dbraw/zinc/14/85/81/389148581.db2.gz HTTZBXOJNWAIEZ-KBPBESRZSA-N 2 2 289.379 0.339 20 0 CCADLP CC[C@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C)[NH+](C)C ZINC000356632720 389126999 /nfs/dbraw/zinc/12/69/99/389126999.db2.gz VJXMSQFCSBMQMA-MGPQQGTHSA-N 2 2 283.416 0.648 20 0 CCADLP O=S1(=O)CC[C@H]([N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)C1 ZINC000220363755 389139493 /nfs/dbraw/zinc/13/94/93/389139493.db2.gz YVIPOOLNSLHFQW-YPMHNXCESA-N 2 2 272.414 0.638 20 0 CCADLP O=S1(=O)CC[C@H]([N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)C1 ZINC000220363755 389139496 /nfs/dbraw/zinc/13/94/96/389139496.db2.gz YVIPOOLNSLHFQW-YPMHNXCESA-N 2 2 272.414 0.638 20 0 CCADLP CNC(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CCOC ZINC000361024430 389206732 /nfs/dbraw/zinc/20/67/32/389206732.db2.gz YFBGTPBIDHNYQA-RYUDHWBXSA-N 2 2 257.378 0.211 20 0 CCADLP CNC(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CCOC ZINC000361024430 389206735 /nfs/dbraw/zinc/20/67/35/389206735.db2.gz YFBGTPBIDHNYQA-RYUDHWBXSA-N 2 2 257.378 0.211 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CC[C@H](C(=O)N(C)C)O2)C1 ZINC000341284374 389186877 /nfs/dbraw/zinc/18/68/77/389186877.db2.gz JFHDSAYWBLMXOL-IGQOVBAYSA-N 2 2 283.416 0.552 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CC[C@H](C(=O)N(C)C)O2)C1 ZINC000341284374 389186879 /nfs/dbraw/zinc/18/68/79/389186879.db2.gz JFHDSAYWBLMXOL-IGQOVBAYSA-N 2 2 283.416 0.552 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2cccs2)[C@@H](C[NH3+])C1 ZINC000122561967 389152818 /nfs/dbraw/zinc/15/28/18/389152818.db2.gz ZUTHPDBZTAMNLP-JTQLQIEISA-N 2 2 253.371 0.392 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2cccs2)[C@@H](C[NH3+])C1 ZINC000122561967 389152820 /nfs/dbraw/zinc/15/28/20/389152820.db2.gz ZUTHPDBZTAMNLP-JTQLQIEISA-N 2 2 253.371 0.392 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)NC(=O)NC(C)(C)C ZINC000128418908 389177482 /nfs/dbraw/zinc/17/74/82/389177482.db2.gz GVZOCRJVVIMIEP-NSHDSACASA-N 2 2 286.420 0.916 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)NC(=O)NC(C)(C)C ZINC000128418908 389177484 /nfs/dbraw/zinc/17/74/84/389177484.db2.gz GVZOCRJVVIMIEP-NSHDSACASA-N 2 2 286.420 0.916 20 0 CCADLP CC[C@@]1(C(=O)NCC(C)(C)[NH+]2CCOCC2)CCC[NH2+]1 ZINC000128971559 389179122 /nfs/dbraw/zinc/17/91/22/389179122.db2.gz RXOSDJBVZWIDNO-HNNXBMFYSA-N 2 2 283.416 0.746 20 0 CCADLP C[C@@H](NC(=O)[C@H]1CCC[NH2+][C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000342698811 389243752 /nfs/dbraw/zinc/24/37/52/389243752.db2.gz HYCQQWBUPNULAX-RFGFWPKPSA-N 2 2 283.416 0.600 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)NCCn1cc[nH+]c1 ZINC000134742969 389247944 /nfs/dbraw/zinc/24/79/44/389247944.db2.gz WWZQHPOCKIOAGB-UHFFFAOYSA-N 2 2 276.344 0.811 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H](NC2CC[NH+](CC(=O)NC)CC2)C1 ZINC000343269282 389262282 /nfs/dbraw/zinc/26/22/82/389262282.db2.gz AUKZDOPXBCYAJZ-TZMCWYRMSA-N 2 2 282.432 0.127 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H](NC2CC[NH+](CC(=O)NC)CC2)C1 ZINC000343269282 389262285 /nfs/dbraw/zinc/26/22/85/389262285.db2.gz AUKZDOPXBCYAJZ-TZMCWYRMSA-N 2 2 282.432 0.127 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCN1CCC[NH+](C)CC1 ZINC000361173555 389209056 /nfs/dbraw/zinc/20/90/56/389209056.db2.gz JAMYWPPRADOYRK-LSDHHAIUSA-N 3 2 268.449 0.554 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCN1CCC[NH+](C)CC1 ZINC000361173555 389209058 /nfs/dbraw/zinc/20/90/58/389209058.db2.gz JAMYWPPRADOYRK-LSDHHAIUSA-N 3 2 268.449 0.554 20 0 CCADLP C[C@H]1C[NH+](C)C[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000361173555 389209060 /nfs/dbraw/zinc/20/90/60/389209060.db2.gz JAMYWPPRADOYRK-LSDHHAIUSA-N 3 2 268.449 0.554 20 0 CCADLP C[C@H]1C[NH+](C)C[C@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000361173555 389209061 /nfs/dbraw/zinc/20/90/61/389209061.db2.gz JAMYWPPRADOYRK-LSDHHAIUSA-N 3 2 268.449 0.554 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC[NH+]1CCC[C@@H]1C(N)=O ZINC000361208653 389210655 /nfs/dbraw/zinc/21/06/55/389210655.db2.gz NMZIIPCTMBBIFK-MGPQQGTHSA-N 3 2 282.432 0.256 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC[NH+]1CCC[C@@H]1C(N)=O ZINC000361208653 389210657 /nfs/dbraw/zinc/21/06/57/389210657.db2.gz NMZIIPCTMBBIFK-MGPQQGTHSA-N 3 2 282.432 0.256 20 0 CCADLP C[C@@H]1C[NH+](C)CC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000361208653 389210660 /nfs/dbraw/zinc/21/06/60/389210660.db2.gz NMZIIPCTMBBIFK-MGPQQGTHSA-N 3 2 282.432 0.256 20 0 CCADLP C[C@@H]1C[NH+](C)CC[C@H]1[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000361208653 389210662 /nfs/dbraw/zinc/21/06/62/389210662.db2.gz NMZIIPCTMBBIFK-MGPQQGTHSA-N 3 2 282.432 0.256 20 0 CCADLP COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1CCn1cc[nH+]c1 ZINC000131300560 389212161 /nfs/dbraw/zinc/21/21/61/389212161.db2.gz WLJRZOCUPJSVNJ-QWRGUYRKSA-N 2 2 253.302 0.145 20 0 CCADLP COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1CCn1cc[nH+]c1 ZINC000131300560 389212164 /nfs/dbraw/zinc/21/21/64/389212164.db2.gz WLJRZOCUPJSVNJ-QWRGUYRKSA-N 2 2 253.302 0.145 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CC[NH2+]CC2(F)F)[C@@H](C)C[NH2+]1 ZINC000343429505 389265906 /nfs/dbraw/zinc/26/59/06/389265906.db2.gz CAFRMVXWXISKOU-KXUCPTDWSA-N 2 2 261.316 0.440 20 0 CCADLP C[C@@H]1CCN(c2[nH+]cnc3c2cnn3C)C[C@H]1C[NH3+] ZINC000253181244 389266234 /nfs/dbraw/zinc/26/62/34/389266234.db2.gz FDYLYOGXQREJPL-NXEZZACHSA-N 2 2 260.345 0.784 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NCC[NH+]1CCCCC1 ZINC000264227277 389313708 /nfs/dbraw/zinc/31/37/08/389313708.db2.gz XAOXKFXDXRXAJO-UHFFFAOYSA-N 2 2 265.361 0.705 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCC[C@H]2C(=O)NC)C1 ZINC000345839132 389316673 /nfs/dbraw/zinc/31/66/73/389316673.db2.gz GCXRKRGUBNVKBX-UMSGYPCISA-N 2 2 253.390 0.831 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCC[C@H]2C(=O)NC)C1 ZINC000345839132 389316675 /nfs/dbraw/zinc/31/66/75/389316675.db2.gz GCXRKRGUBNVKBX-UMSGYPCISA-N 2 2 253.390 0.831 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCN(C)C[C@H]1CCC[NH+]1C ZINC000420995668 389344648 /nfs/dbraw/zinc/34/46/48/389344648.db2.gz IMWLCFOTAFESIF-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP C([C@H]1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC000346994074 389344235 /nfs/dbraw/zinc/34/42/35/389344235.db2.gz BREUTAZNTGSHQB-HUUCEWRRSA-N 3 2 267.417 0.640 20 0 CCADLP C([C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC000346994074 389344236 /nfs/dbraw/zinc/34/42/36/389344236.db2.gz BREUTAZNTGSHQB-HUUCEWRRSA-N 3 2 267.417 0.640 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCN(C)C[C@H]1CCC[NH+]1C ZINC000420995668 389344652 /nfs/dbraw/zinc/34/46/52/389344652.db2.gz IMWLCFOTAFESIF-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN(C)C[C@H]1CCC[N@@H+]1C ZINC000420995668 389344654 /nfs/dbraw/zinc/34/46/54/389344654.db2.gz IMWLCFOTAFESIF-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN(C)C[C@H]1CCC[N@H+]1C ZINC000420995668 389344657 /nfs/dbraw/zinc/34/46/57/389344657.db2.gz IMWLCFOTAFESIF-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP CC[C@@H](NC(=O)[C@@H](C)N1CC[NH+](C)CC1)c1[nH]cc[nH+]1 ZINC000330982386 389271796 /nfs/dbraw/zinc/27/17/96/389271796.db2.gz KDSCCNMYGBDCCT-VXGBXAGGSA-N 2 2 279.388 0.613 20 0 CCADLP C[NH+](C)C/C=C/C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000264635970 389340595 /nfs/dbraw/zinc/34/05/95/389340595.db2.gz PBOLPJJSAZYSNA-ONEGZZNKSA-N 2 2 288.395 0.844 20 0 CCADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261592143 389272708 /nfs/dbraw/zinc/27/27/08/389272708.db2.gz YISWFWLAAWOAQY-JSGCOSHPSA-N 2 2 253.390 0.833 20 0 CCADLP CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261592143 389272710 /nfs/dbraw/zinc/27/27/10/389272710.db2.gz YISWFWLAAWOAQY-JSGCOSHPSA-N 2 2 253.390 0.833 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC1(C[NH+](C)C)CCC1 ZINC000343810334 389272812 /nfs/dbraw/zinc/27/28/12/389272812.db2.gz CINOSLVAUHQRSO-UHFFFAOYSA-N 2 2 298.431 0.043 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC1(C[NH+](C)C)CCC1 ZINC000343810334 389272817 /nfs/dbraw/zinc/27/28/17/389272817.db2.gz CINOSLVAUHQRSO-UHFFFAOYSA-N 2 2 298.431 0.043 20 0 CCADLP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCS(=O)(=O)C1 ZINC000261624076 389273027 /nfs/dbraw/zinc/27/30/27/389273027.db2.gz CAEGVSBHQNKHRZ-LLVKDONJSA-N 2 2 260.403 0.353 20 0 CCADLP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCS(=O)(=O)C1 ZINC000261624076 389273028 /nfs/dbraw/zinc/27/30/28/389273028.db2.gz CAEGVSBHQNKHRZ-LLVKDONJSA-N 2 2 260.403 0.353 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)N(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343927562 389275615 /nfs/dbraw/zinc/27/56/15/389275615.db2.gz SHDSIJOKSBMRGL-KBPBESRZSA-N 2 2 282.432 0.032 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)N(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343927562 389275617 /nfs/dbraw/zinc/27/56/17/389275617.db2.gz SHDSIJOKSBMRGL-KBPBESRZSA-N 2 2 282.432 0.032 20 0 CCADLP CN(C(=O)[C@H]1CCCO1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365223707 389278154 /nfs/dbraw/zinc/27/81/54/389278154.db2.gz KLLOSHPMLDVYAY-HUUCEWRRSA-N 2 2 295.427 0.792 20 0 CCADLP CN(C(=O)[C@H]1CCCO1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365223707 389278157 /nfs/dbraw/zinc/27/81/57/389278157.db2.gz KLLOSHPMLDVYAY-HUUCEWRRSA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)C[C@H]1COCC[NH2+]1 ZINC000367652176 389341819 /nfs/dbraw/zinc/34/18/19/389341819.db2.gz BBHBYEAACOYMBT-LBPRGKRZSA-N 2 2 280.372 0.534 20 0 CCADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000263069018 389297170 /nfs/dbraw/zinc/29/71/70/389297170.db2.gz WFFPNCNICWLQPG-MNOVXSKESA-N 2 2 273.327 0.680 20 0 CCADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000263069018 389297172 /nfs/dbraw/zinc/29/71/72/389297172.db2.gz WFFPNCNICWLQPG-MNOVXSKESA-N 2 2 273.327 0.680 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000346973928 389342545 /nfs/dbraw/zinc/34/25/45/389342545.db2.gz INHZDYZOMBZYSO-RYUDHWBXSA-N 2 2 274.430 0.884 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC000346973928 389342547 /nfs/dbraw/zinc/34/25/47/389342547.db2.gz INHZDYZOMBZYSO-RYUDHWBXSA-N 2 2 274.430 0.884 20 0 CCADLP CCC[N@H+](CCn1cc[nH+]c1)[C@H]1CCS(=O)(=O)C1 ZINC000162253180 389417038 /nfs/dbraw/zinc/41/70/38/389417038.db2.gz PKKRATWKYYDQEE-LBPRGKRZSA-N 2 2 271.386 0.782 20 0 CCADLP CCC[N@@H+](CCn1cc[nH+]c1)[C@H]1CCS(=O)(=O)C1 ZINC000162253180 389417042 /nfs/dbraw/zinc/41/70/42/389417042.db2.gz PKKRATWKYYDQEE-LBPRGKRZSA-N 2 2 271.386 0.782 20 0 CCADLP C[C@@H]1CN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C[C@@H]1[NH+](C)C ZINC000332876142 389384952 /nfs/dbraw/zinc/38/49/52/389384952.db2.gz SEUIXUZQOOOISH-SUNKGSAMSA-N 2 2 291.399 0.859 20 0 CCADLP C[C@@H]1CN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C[C@@H]1[NH+](C)C ZINC000332876142 389384957 /nfs/dbraw/zinc/38/49/57/389384957.db2.gz SEUIXUZQOOOISH-SUNKGSAMSA-N 2 2 291.399 0.859 20 0 CCADLP CC(=O)CCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369505095 389396517 /nfs/dbraw/zinc/39/65/17/389396517.db2.gz WUJONTQNWTZAAF-ZDUSSCGKSA-N 2 2 281.400 0.640 20 0 CCADLP CC(=O)CCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369505095 389396522 /nfs/dbraw/zinc/39/65/22/389396522.db2.gz WUJONTQNWTZAAF-ZDUSSCGKSA-N 2 2 281.400 0.640 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N[C@@H](C)[C@H](C)[NH3+])[NH+]1CCOCC1 ZINC000417521699 299605691 /nfs/dbraw/zinc/60/56/91/299605691.db2.gz POYPRAQVMNAIFW-FIQHERPVSA-N 2 2 272.393 0.131 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000162337978 389418508 /nfs/dbraw/zinc/41/85/08/389418508.db2.gz QHKRNHATLWMOMW-GJZGRUSLSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000162337978 389418511 /nfs/dbraw/zinc/41/85/11/389418511.db2.gz QHKRNHATLWMOMW-GJZGRUSLSA-N 2 2 295.427 0.794 20 0 CCADLP O=C(C[NH2+]C[C@H]1CCCO1)NCc1cn2ccccc2[nH+]1 ZINC000269235907 389408650 /nfs/dbraw/zinc/40/86/50/389408650.db2.gz MJQFNHKYBPVAGK-CYBMUJFWSA-N 2 2 288.351 0.719 20 0 CCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000333529594 389418816 /nfs/dbraw/zinc/41/88/16/389418816.db2.gz HTTUBZAGUFHFLU-ZDUSSCGKSA-N 2 2 297.447 0.016 20 0 CCADLP C[C@@H](N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422745867 389465285 /nfs/dbraw/zinc/46/52/85/389465285.db2.gz VWGYCUDAIPNXBN-DGAVXFQQSA-N 2 2 255.406 0.826 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000422770050 389471301 /nfs/dbraw/zinc/47/13/01/389471301.db2.gz WGHTWHDMKSMTIO-UONOGXRCSA-N 2 2 283.416 0.603 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000422770050 389471304 /nfs/dbraw/zinc/47/13/04/389471304.db2.gz WGHTWHDMKSMTIO-UONOGXRCSA-N 2 2 283.416 0.603 20 0 CCADLP O=C(NC[C@H]1CCC[NH2+]C1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000422768563 389471471 /nfs/dbraw/zinc/47/14/71/389471471.db2.gz USEHGOUOIBGWHG-LSDHHAIUSA-N 2 2 295.427 0.603 20 0 CCADLP O=C(NC[C@H]1CCC[NH2+]C1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000422768563 389471473 /nfs/dbraw/zinc/47/14/73/389471473.db2.gz USEHGOUOIBGWHG-LSDHHAIUSA-N 2 2 295.427 0.603 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccccc1OCCO ZINC000422778840 389473339 /nfs/dbraw/zinc/47/33/39/389473339.db2.gz HVGFRGNYIZRPIS-ZFWWWQNUSA-N 2 2 294.395 0.914 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1NC1CC[NH+](CC(C)C)CC1 ZINC000422820488 389481619 /nfs/dbraw/zinc/48/16/19/389481619.db2.gz QXTDVVTWSDNDQY-CABCVRRESA-N 2 2 297.443 0.990 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2cn[nH]c2)CC1 ZINC000274062743 389481635 /nfs/dbraw/zinc/48/16/35/389481635.db2.gz PBAHKCBZUCJBJL-NEPJUHHUSA-N 2 2 279.388 0.613 20 0 CCADLP c1c[nH+]c(CN2CC[NH+](C[C@H]3CCOC3)CC2)[nH]1 ZINC000172268311 389487017 /nfs/dbraw/zinc/48/70/17/389487017.db2.gz GCNJDFCCEQUKAA-GFCCVEGCSA-N 2 2 250.346 0.564 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000422850855 389491786 /nfs/dbraw/zinc/49/17/86/389491786.db2.gz OHPSCGNDAMETEK-KGLIPLIRSA-N 2 2 283.416 0.729 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000422850855 389491788 /nfs/dbraw/zinc/49/17/88/389491788.db2.gz OHPSCGNDAMETEK-KGLIPLIRSA-N 2 2 283.416 0.729 20 0 CCADLP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)C[NH3+])CC2 ZINC000166530583 389442416 /nfs/dbraw/zinc/44/24/16/389442416.db2.gz QVKILWGUULWPQV-UHFFFAOYSA-N 2 2 293.367 0.137 20 0 CCADLP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)C[NH3+])CC2 ZINC000166530583 389442421 /nfs/dbraw/zinc/44/24/21/389442421.db2.gz QVKILWGUULWPQV-UHFFFAOYSA-N 2 2 293.367 0.137 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000422854841 389492953 /nfs/dbraw/zinc/49/29/53/389492953.db2.gz DEKABTPFYSTYHJ-OLZOCXBDSA-N 2 2 298.431 0.077 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000422854841 389492956 /nfs/dbraw/zinc/49/29/56/389492956.db2.gz DEKABTPFYSTYHJ-OLZOCXBDSA-N 2 2 298.431 0.077 20 0 CCADLP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000422692219 389452857 /nfs/dbraw/zinc/45/28/57/389452857.db2.gz JTXZTNCKFPDVKK-YUELXQCFSA-N 3 2 267.417 0.685 20 0 CCADLP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000422692219 389452861 /nfs/dbraw/zinc/45/28/61/389452861.db2.gz JTXZTNCKFPDVKK-YUELXQCFSA-N 3 2 267.417 0.685 20 0 CCADLP CC1(C)COCCN1CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422716149 389457187 /nfs/dbraw/zinc/45/71/87/389457187.db2.gz UDDYCVTZRMKHCU-GJZGRUSLSA-N 2 2 297.443 0.454 20 0 CCADLP C[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)[C@H]1CCCC[NH2+]1 ZINC000422925262 389507074 /nfs/dbraw/zinc/50/70/74/389507074.db2.gz ZYHQPRLLJXHPKW-DMDPSCGWSA-N 2 2 251.374 0.870 20 0 CCADLP CCS(=O)(=O)NCC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173952997 389513088 /nfs/dbraw/zinc/51/30/88/389513088.db2.gz TWDYINPCJYPWAU-ZDUSSCGKSA-N 2 2 291.461 0.732 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173952997 389513092 /nfs/dbraw/zinc/51/30/92/389513092.db2.gz TWDYINPCJYPWAU-ZDUSSCGKSA-N 2 2 291.461 0.732 20 0 CCADLP CCS(=O)(=O)NCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173952997 389513097 /nfs/dbraw/zinc/51/30/97/389513097.db2.gz TWDYINPCJYPWAU-ZDUSSCGKSA-N 2 2 291.461 0.732 20 0 CCADLP CCS(=O)(=O)NCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173952997 389513101 /nfs/dbraw/zinc/51/31/01/389513101.db2.gz TWDYINPCJYPWAU-ZDUSSCGKSA-N 2 2 291.461 0.732 20 0 CCADLP COCC[NH2+]CC[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@H]1C ZINC000423343889 389569271 /nfs/dbraw/zinc/56/92/71/389569271.db2.gz WJHXREZOUBCTIO-JHJVBQTASA-N 2 2 272.389 0.790 20 0 CCADLP C[C@@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)[C@H]1CCCC[NH2+]1 ZINC000423023032 389523982 /nfs/dbraw/zinc/52/39/82/389523982.db2.gz GOVDDWAVNUYVBR-BPLDGKMQSA-N 2 2 267.417 0.970 20 0 CCADLP C([NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)[C@@H]1CN(C2CC2)CCO1 ZINC000423023390 389524244 /nfs/dbraw/zinc/52/42/44/389524244.db2.gz HGZAVATUBPSTBB-PMPSAXMXSA-N 2 2 295.427 0.206 20 0 CCADLP O=C(NCCCNc1cccc[nH+]1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423347675 389570121 /nfs/dbraw/zinc/57/01/21/389570121.db2.gz RQRDQPBRDDWBAR-RISCZKNCSA-N 2 2 260.341 0.752 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1CN[C@H]1CC[NH2+][C@@H]1C(=O)OCC ZINC000423108845 389536134 /nfs/dbraw/zinc/53/61/34/389536134.db2.gz MTTHOZVWNIZNPP-IHRRRGAJSA-N 2 2 283.416 0.744 20 0 CCADLP CCC[N@H+]1CCC[C@H]1CN[C@H]1CC[NH2+][C@@H]1C(=O)OCC ZINC000423108845 389536135 /nfs/dbraw/zinc/53/61/35/389536135.db2.gz MTTHOZVWNIZNPP-IHRRRGAJSA-N 2 2 283.416 0.744 20 0 CCADLP OCC[N@@H+]1CCCC[C@@H]1CN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423142401 389541433 /nfs/dbraw/zinc/54/14/33/389541433.db2.gz AJPDQAKVAWAIRU-OAGGEKHMSA-N 2 2 297.443 0.190 20 0 CCADLP OCC[N@H+]1CCCC[C@@H]1CN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423142401 389541437 /nfs/dbraw/zinc/54/14/37/389541437.db2.gz AJPDQAKVAWAIRU-OAGGEKHMSA-N 2 2 297.443 0.190 20 0 CCADLP OCCN1CCCC[C@@H]1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423142401 389541442 /nfs/dbraw/zinc/54/14/42/389541442.db2.gz AJPDQAKVAWAIRU-OAGGEKHMSA-N 2 2 297.443 0.190 20 0 CCADLP CCC[N@H+](CC)C[C@H](C)N[C@@H]1CC[NH2+][C@H]1C(=O)OCC ZINC000423138336 389541565 /nfs/dbraw/zinc/54/15/65/389541565.db2.gz IWEWZOPDUMKBFX-BFHYXJOUSA-N 2 2 285.432 0.990 20 0 CCADLP CCC[N@@H+](CC)C[C@H](C)N[C@@H]1CC[NH2+][C@H]1C(=O)OCC ZINC000423138336 389541572 /nfs/dbraw/zinc/54/15/72/389541572.db2.gz IWEWZOPDUMKBFX-BFHYXJOUSA-N 2 2 285.432 0.990 20 0 CCADLP C[C@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCC[NH2+]1 ZINC000423147053 389544456 /nfs/dbraw/zinc/54/44/56/389544456.db2.gz BXRJUVMXXLMYAR-IGQOVBAYSA-N 2 2 253.390 0.580 20 0 CCADLP C[C@H](NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCC[NH2+]1 ZINC000423147053 389544457 /nfs/dbraw/zinc/54/44/57/389544457.db2.gz BXRJUVMXXLMYAR-IGQOVBAYSA-N 2 2 253.390 0.580 20 0 CCADLP C[C@H](NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCC[NH2+]1 ZINC000423147053 389544461 /nfs/dbraw/zinc/54/44/61/389544461.db2.gz BXRJUVMXXLMYAR-IGQOVBAYSA-N 2 2 253.390 0.580 20 0 CCADLP CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423158574 389545481 /nfs/dbraw/zinc/54/54/81/389545481.db2.gz OEZYRKVIEDGUQC-WOPDTQHZSA-N 2 2 277.434 0.434 20 0 CCADLP C(CN1C[C@H]2CC[C@@H](C1)O2)[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423151692 389546030 /nfs/dbraw/zinc/54/60/30/389546030.db2.gz KRJQPPOLHITDJU-XUWVNRHRSA-N 2 2 295.427 0.206 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423159736 389547185 /nfs/dbraw/zinc/54/71/85/389547185.db2.gz PZGMBOUNTNETRJ-GMTAPVOTSA-N 2 2 263.407 0.044 20 0 CCADLP CC[C@@H](C(=O)N1CC[N@H+](CCC(=O)OC)[C@H](C)C1)[NH+](C)C ZINC000413679106 389549120 /nfs/dbraw/zinc/54/91/20/389549120.db2.gz YJCPKXOYRHMOFU-OLZOCXBDSA-N 2 2 299.415 0.422 20 0 CCADLP CC[C@@H](C(=O)N1CC[N@@H+](CCC(=O)OC)[C@H](C)C1)[NH+](C)C ZINC000413679106 389549121 /nfs/dbraw/zinc/54/91/21/389549121.db2.gz YJCPKXOYRHMOFU-OLZOCXBDSA-N 2 2 299.415 0.422 20 0 CCADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCn2c[nH+]cc2C1 ZINC000335368235 389550822 /nfs/dbraw/zinc/55/08/22/389550822.db2.gz UGUCHWLSJZTOAU-NXEZZACHSA-N 2 2 251.334 0.534 20 0 CCADLP C[C@]1(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CCC[NH2+]C1 ZINC000423352020 389571858 /nfs/dbraw/zinc/57/18/58/389571858.db2.gz ZZHDMKQNPYXDNI-KKUMJFAQSA-N 3 2 267.417 0.733 20 0 CCADLP CC[N@H+](CC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])C1CC1 ZINC000422879847 389498135 /nfs/dbraw/zinc/49/81/35/389498135.db2.gz MVTFJRLPDWQUQB-IACUBPJLSA-N 3 2 255.406 0.813 20 0 CCADLP CC[N@@H+](CC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])C1CC1 ZINC000422879847 389498140 /nfs/dbraw/zinc/49/81/40/389498140.db2.gz MVTFJRLPDWQUQB-IACUBPJLSA-N 3 2 255.406 0.813 20 0 CCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422883504 389498242 /nfs/dbraw/zinc/49/82/42/389498242.db2.gz VDLHEWUYDSAZBD-ILXRZTDVSA-N 3 2 296.459 0.646 20 0 CCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422883504 389498245 /nfs/dbraw/zinc/49/82/45/389498245.db2.gz VDLHEWUYDSAZBD-ILXRZTDVSA-N 3 2 296.459 0.646 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000423931375 389616252 /nfs/dbraw/zinc/61/62/52/389616252.db2.gz MCACUMAXRMQHHV-RVMXOQNASA-N 2 2 269.389 0.291 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000423931375 389616256 /nfs/dbraw/zinc/61/62/56/389616256.db2.gz MCACUMAXRMQHHV-RVMXOQNASA-N 2 2 269.389 0.291 20 0 CCADLP CC(C)C(=O)NCC[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351579820 389621370 /nfs/dbraw/zinc/62/13/70/389621370.db2.gz KENGBLOKTNKKSZ-ZDUSSCGKSA-N 2 2 271.405 0.146 20 0 CCADLP CC(C)C(=O)NCC[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351579820 389621373 /nfs/dbraw/zinc/62/13/73/389621373.db2.gz KENGBLOKTNKKSZ-ZDUSSCGKSA-N 2 2 271.405 0.146 20 0 CCADLP CC(C)C(=O)NCC[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351579820 389621375 /nfs/dbraw/zinc/62/13/75/389621375.db2.gz KENGBLOKTNKKSZ-ZDUSSCGKSA-N 2 2 271.405 0.146 20 0 CCADLP CC(C)C(=O)NCC[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351579820 389621378 /nfs/dbraw/zinc/62/13/78/389621378.db2.gz KENGBLOKTNKKSZ-ZDUSSCGKSA-N 2 2 271.405 0.146 20 0 CCADLP C[C@@H](c1cnn(C)c1)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351582868 389622445 /nfs/dbraw/zinc/62/24/45/389622445.db2.gz SBADDVZMMNQXOK-FZMZJTMJSA-N 2 2 266.389 0.868 20 0 CCADLP C[C@@H](c1cnn(C)c1)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351582868 389622447 /nfs/dbraw/zinc/62/24/47/389622447.db2.gz SBADDVZMMNQXOK-FZMZJTMJSA-N 2 2 266.389 0.868 20 0 CCADLP C[C@@H](c1cnn(C)c1)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351582868 389622450 /nfs/dbraw/zinc/62/24/50/389622450.db2.gz SBADDVZMMNQXOK-FZMZJTMJSA-N 2 2 266.389 0.868 20 0 CCADLP C[C@@H](c1cnn(C)c1)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351582868 389622455 /nfs/dbraw/zinc/62/24/55/389622455.db2.gz SBADDVZMMNQXOK-FZMZJTMJSA-N 2 2 266.389 0.868 20 0 CCADLP CC(C)(C)[NH2+]CCN1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000414700469 389628846 /nfs/dbraw/zinc/62/88/46/389628846.db2.gz SQXCZLAXBAGMIG-UHFFFAOYSA-N 2 2 265.405 0.915 20 0 CCADLP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC000414783484 389637845 /nfs/dbraw/zinc/63/78/45/389637845.db2.gz JUOHEOYXIYXAOK-NXEZZACHSA-N 2 2 286.278 0.678 20 0 CCADLP CC[NH2+]CC[NH2+]Cc1ccc(N(C)CCOC)nc1 ZINC000414854498 389639901 /nfs/dbraw/zinc/63/99/01/389639901.db2.gz ZMEUXAIWLMFABM-UHFFFAOYSA-N 2 2 266.389 0.863 20 0 CCADLP Cc1ccc(CCC[NH2+]CCN2CC[NH2+]CC2)c[nH+]1 ZINC000414863484 389641237 /nfs/dbraw/zinc/64/12/37/389641237.db2.gz ASGHKKWUPRTOFR-UHFFFAOYSA-N 3 2 262.401 0.817 20 0 CCADLP COCC[NH2+]CCNCc1c[nH+]c2cc(C)ccn12 ZINC000414868696 389641460 /nfs/dbraw/zinc/64/14/60/389641460.db2.gz FADUHDBAIFAIOS-UHFFFAOYSA-N 2 2 262.357 0.968 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+](CCO)C[C@H]1C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413859127 389572666 /nfs/dbraw/zinc/57/26/66/389572666.db2.gz JZXTXSDYBVRGQL-BARDWOONSA-N 2 2 297.443 0.773 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+](CCO)C[C@H]1C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000413859127 389572669 /nfs/dbraw/zinc/57/26/69/389572669.db2.gz JZXTXSDYBVRGQL-BARDWOONSA-N 2 2 297.443 0.773 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](CCO)C[C@H]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000413859127 389572672 /nfs/dbraw/zinc/57/26/72/389572672.db2.gz JZXTXSDYBVRGQL-BARDWOONSA-N 2 2 297.443 0.773 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](CCO)C[C@H]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000413859127 389572674 /nfs/dbraw/zinc/57/26/74/389572674.db2.gz JZXTXSDYBVRGQL-BARDWOONSA-N 2 2 297.443 0.773 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000423379306 389576830 /nfs/dbraw/zinc/57/68/30/389576830.db2.gz MYSBCTXUVRXMDH-STQMWFEESA-N 2 2 283.416 0.602 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000423379306 389576831 /nfs/dbraw/zinc/57/68/31/389576831.db2.gz MYSBCTXUVRXMDH-STQMWFEESA-N 2 2 283.416 0.602 20 0 CCADLP CCNC(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000374419907 389578732 /nfs/dbraw/zinc/57/87/32/389578732.db2.gz JKVIJIRIECBGGM-JHJVBQTASA-N 2 2 269.389 0.306 20 0 CCADLP CCNC(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000374419907 389578736 /nfs/dbraw/zinc/57/87/36/389578736.db2.gz JKVIJIRIECBGGM-JHJVBQTASA-N 2 2 269.389 0.306 20 0 CCADLP COCCN(C)c1ccc(C[NH2+][C@H](C)C[NH3+])cn1 ZINC000414928857 389645216 /nfs/dbraw/zinc/64/52/16/389645216.db2.gz NNXLGOFVMXBCQM-LLVKDONJSA-N 2 2 252.362 0.601 20 0 CCADLP Cn1cc(C[NH+]2CCN(C(=O)[C@@H]([NH3+])C3CCC3)CC2)cn1 ZINC000423422472 389584052 /nfs/dbraw/zinc/58/40/52/389584052.db2.gz CTUUAKFPPOGOMF-AWEZNQCLSA-N 2 2 291.399 0.192 20 0 CCADLP CC[C@]1(O)CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425338746 389645462 /nfs/dbraw/zinc/64/54/62/389645462.db2.gz QABDKDJIYUBTRF-ZDUSSCGKSA-N 2 2 252.362 0.833 20 0 CCADLP C1CC1[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H]1C[NH2+]CCO1 ZINC000423431615 389586248 /nfs/dbraw/zinc/58/62/48/389586248.db2.gz LYEOYNLYIYGZTC-ZJIFWQFVSA-N 3 2 279.428 0.731 20 0 CCADLP C(C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)C[C@@H]1CCC[NH2+]1 ZINC000423474841 389591889 /nfs/dbraw/zinc/59/18/89/389591889.db2.gz HSDKYBBCDNNOBO-ZNMIVQPWSA-N 3 2 267.417 0.875 20 0 CCADLP CNC(=O)c1ccc(C[NH2+]C[C@@]2(COC)CCC[NH2+]2)cc1 ZINC000414942288 389646080 /nfs/dbraw/zinc/64/60/80/389646080.db2.gz JXLIGTMPQUBAHE-MRXNPFEDSA-N 2 2 291.395 0.904 20 0 CCADLP C([NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)[C@@H]1C[NH2+]CCO1 ZINC000423541204 389601613 /nfs/dbraw/zinc/60/16/13/389601613.db2.gz AMDBTICOFQFERE-QNWHQSFQSA-N 2 2 252.358 0.522 20 0 CCADLP CC[C@@]1(O)CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425338745 389646512 /nfs/dbraw/zinc/64/65/12/389646512.db2.gz QABDKDJIYUBTRF-CYBMUJFWSA-N 2 2 252.362 0.833 20 0 CCADLP CC[C@H]([NH3+])C[NH2+]Cc1ccccc1OCC(=O)N(C)C ZINC000414973457 389650266 /nfs/dbraw/zinc/65/02/66/389650266.db2.gz CCQCOVFMPHHXCA-ZDUSSCGKSA-N 2 2 279.384 0.981 20 0 CCADLP C[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)C[C@@H](O)C[NH3+] ZINC000415062281 389654222 /nfs/dbraw/zinc/65/42/22/389654222.db2.gz XWXJBNLNLJGOFM-AWEZNQCLSA-N 2 2 278.331 0.763 20 0 CCADLP C[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)C[C@@H](O)C[NH3+] ZINC000415062281 389654225 /nfs/dbraw/zinc/65/42/25/389654225.db2.gz XWXJBNLNLJGOFM-AWEZNQCLSA-N 2 2 278.331 0.763 20 0 CCADLP NC(=O)[C@@H](C[NH2+][C@H]1CCC[NH2+]C1)Cc1ccc(F)cc1 ZINC000415103478 389659260 /nfs/dbraw/zinc/65/92/60/389659260.db2.gz KJDYLXDSKDXCCY-OCCSQVGLSA-N 2 2 279.359 0.811 20 0 CCADLP Cc1ccn2c(CN3CCO[C@@H]4C[NH2+]C[C@@H]43)c[nH+]c2c1 ZINC000415137632 389662769 /nfs/dbraw/zinc/66/27/69/389662769.db2.gz GDRJSMDUYDQCGD-UONOGXRCSA-N 2 2 272.352 0.815 20 0 CCADLP CC[NH+](CC)CCC[NH+]1CCC(O)(C(=O)OC)CC1 ZINC000375423008 389674971 /nfs/dbraw/zinc/67/49/71/389674971.db2.gz AONBSKQQIWBAMW-UHFFFAOYSA-N 2 2 272.389 0.718 20 0 CCADLP CC(=O)N1CC[N@H+](CCn2cc[nH+]c2)C(C)(C)C1 ZINC000182178168 389702610 /nfs/dbraw/zinc/70/26/10/389702610.db2.gz JGFPPLNHFAGTCA-UHFFFAOYSA-N 2 2 250.346 0.826 20 0 CCADLP CC(=O)N1CC[N@@H+](CCn2cc[nH+]c2)C(C)(C)C1 ZINC000182178168 389702615 /nfs/dbraw/zinc/70/26/15/389702615.db2.gz JGFPPLNHFAGTCA-UHFFFAOYSA-N 2 2 250.346 0.826 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCSC[C@H](C)C1 ZINC000379462169 389761025 /nfs/dbraw/zinc/76/10/25/389761025.db2.gz CIOLQNBZCBAOEL-OLZOCXBDSA-N 2 2 276.446 0.610 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCSC[C@H](C)C1 ZINC000379462169 389761027 /nfs/dbraw/zinc/76/10/27/389761027.db2.gz CIOLQNBZCBAOEL-OLZOCXBDSA-N 2 2 276.446 0.610 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCSC[C@H](C)C1 ZINC000379462169 389761029 /nfs/dbraw/zinc/76/10/29/389761029.db2.gz CIOLQNBZCBAOEL-OLZOCXBDSA-N 2 2 276.446 0.610 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCSC[C@H](C)C1 ZINC000379462169 389761031 /nfs/dbraw/zinc/76/10/31/389761031.db2.gz CIOLQNBZCBAOEL-OLZOCXBDSA-N 2 2 276.446 0.610 20 0 CCADLP COc1ccc(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cn1 ZINC000388406511 389769445 /nfs/dbraw/zinc/76/94/45/389769445.db2.gz FODUDFZVQNOTLL-CYBMUJFWSA-N 2 2 265.357 0.635 20 0 CCADLP COc1ccc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cn1 ZINC000388406511 389769446 /nfs/dbraw/zinc/76/94/46/389769446.db2.gz FODUDFZVQNOTLL-CYBMUJFWSA-N 2 2 265.357 0.635 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C(C)(C)CS(C)(=O)=O)n1C ZINC000391407066 389772617 /nfs/dbraw/zinc/77/26/17/389772617.db2.gz HTUFKVLBJMNYAV-UHFFFAOYSA-N 2 2 288.417 0.399 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCN1CC[NH2+]CC1 ZINC000394316667 389775761 /nfs/dbraw/zinc/77/57/61/389775761.db2.gz CVZNPSWMCFCWDQ-CABCVRRESA-N 3 2 266.433 0.450 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCN1CC[NH2+]CC1 ZINC000394316667 389775765 /nfs/dbraw/zinc/77/57/65/389775765.db2.gz CVZNPSWMCFCWDQ-CABCVRRESA-N 3 2 266.433 0.450 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCN1CC[NH2+]CC1 ZINC000394316667 389775766 /nfs/dbraw/zinc/77/57/66/389775766.db2.gz CVZNPSWMCFCWDQ-CABCVRRESA-N 3 2 266.433 0.450 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCN1CC[NH2+]CC1 ZINC000394316667 389775770 /nfs/dbraw/zinc/77/57/70/389775770.db2.gz CVZNPSWMCFCWDQ-CABCVRRESA-N 3 2 266.433 0.450 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)NCc1[nH+]ccn1C ZINC000352235382 389776301 /nfs/dbraw/zinc/77/63/01/389776301.db2.gz VDEKTHRWZPUHRC-UHFFFAOYSA-N 2 2 274.390 0.181 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000416999917 389787799 /nfs/dbraw/zinc/78/77/99/389787799.db2.gz CMACAKSAMUEGKY-GFCCVEGCSA-N 2 2 279.388 0.930 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000417007858 389788895 /nfs/dbraw/zinc/78/88/95/389788895.db2.gz LLLHRKKWRFCQJH-NXEZZACHSA-N 2 2 265.361 0.683 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000352315310 389789473 /nfs/dbraw/zinc/78/94/73/389789473.db2.gz VBIQECJPXMEUSI-GFCCVEGCSA-N 2 2 288.417 0.533 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000417014217 389789624 /nfs/dbraw/zinc/78/96/24/389789624.db2.gz ACYRXGZPYPDAMD-VXGBXAGGSA-N 2 2 272.393 0.004 20 0 CCADLP C[C@H](CNC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000417011733 389789691 /nfs/dbraw/zinc/78/96/91/389789691.db2.gz SVCKGLUWOVBHQO-MGPQQGTHSA-N 2 2 298.431 0.524 20 0 CCADLP CC(C)[C@H](C(=O)N[C@H](C)C[NH+]1CCOCC1)[C@H](C)[NH3+] ZINC000399379214 389790793 /nfs/dbraw/zinc/79/07/93/389790793.db2.gz HYYLYFLTTWDCDC-AGIUHOORSA-N 2 2 271.405 0.443 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416314586 389733628 /nfs/dbraw/zinc/73/36/28/389733628.db2.gz SVRAQLGXOJHVOU-RYUDHWBXSA-N 2 2 280.372 0.105 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416314586 389733629 /nfs/dbraw/zinc/73/36/29/389733629.db2.gz SVRAQLGXOJHVOU-RYUDHWBXSA-N 2 2 280.372 0.105 20 0 CCADLP Cc1ncc(C[N@@H+](C)C2CC[NH+](CCO)CC2)cn1 ZINC000352024866 389737594 /nfs/dbraw/zinc/73/75/94/389737594.db2.gz JSUGXVJVSWZWQR-UHFFFAOYSA-N 2 2 264.373 0.674 20 0 CCADLP Cc1ncc(C[N@H+](C)C2CC[NH+](CCO)CC2)cn1 ZINC000352024866 389737595 /nfs/dbraw/zinc/73/75/95/389737595.db2.gz JSUGXVJVSWZWQR-UHFFFAOYSA-N 2 2 264.373 0.674 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000416435838 389743376 /nfs/dbraw/zinc/74/33/76/389743376.db2.gz HAKVDGPATIELLV-GRYCIOLGSA-N 2 2 265.361 0.663 20 0 CCADLP O=C(NCCC[C@H]1CCC[NH2+]1)NCC[NH+]1CCOCC1 ZINC000416437898 389743628 /nfs/dbraw/zinc/74/36/28/389743628.db2.gz NMRLHFSMSSJMTJ-CYBMUJFWSA-N 2 2 284.404 0.150 20 0 CCADLP O=C(NCCC[NH2+]C1CC1)NCCCn1cc[nH+]c1 ZINC000416442659 389744591 /nfs/dbraw/zinc/74/45/91/389744591.db2.gz FWNNPEAUWVLSRR-UHFFFAOYSA-N 2 2 265.361 0.715 20 0 CCADLP CNC(=O)Cc1nc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cs1 ZINC000430538247 389806121 /nfs/dbraw/zinc/80/61/21/389806121.db2.gz JIJIDPXAEZPCMB-QWRGUYRKSA-N 2 2 296.440 0.991 20 0 CCADLP CNC(=O)Cc1nc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cs1 ZINC000430538247 389806124 /nfs/dbraw/zinc/80/61/24/389806124.db2.gz JIJIDPXAEZPCMB-QWRGUYRKSA-N 2 2 296.440 0.991 20 0 CCADLP COc1cc(NC(=O)C[N@H+](C)CCC[NH3+])cc(OC)c1 ZINC000430543701 389806293 /nfs/dbraw/zinc/80/62/93/389806293.db2.gz FAUOJZVDBYAHSG-UHFFFAOYSA-N 2 2 281.356 0.923 20 0 CCADLP COc1cc(NC(=O)C[N@@H+](C)CCC[NH3+])cc(OC)c1 ZINC000430543701 389806297 /nfs/dbraw/zinc/80/62/97/389806297.db2.gz FAUOJZVDBYAHSG-UHFFFAOYSA-N 2 2 281.356 0.923 20 0 CCADLP CNC(=O)Cc1nc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cs1 ZINC000430538245 389806344 /nfs/dbraw/zinc/80/63/44/389806344.db2.gz JIJIDPXAEZPCMB-MNOVXSKESA-N 2 2 296.440 0.991 20 0 CCADLP CNC(=O)Cc1nc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cs1 ZINC000430538245 389806347 /nfs/dbraw/zinc/80/63/47/389806347.db2.gz JIJIDPXAEZPCMB-MNOVXSKESA-N 2 2 296.440 0.991 20 0 CCADLP C[C@@H]1CCC[N@H+](CCCN2C(=O)NC(C)(C)C2=O)[C@H]1C[NH3+] ZINC000430568146 389808424 /nfs/dbraw/zinc/80/84/24/389808424.db2.gz FNTARLSEJGGIFT-NEPJUHHUSA-N 2 2 296.415 0.766 20 0 CCADLP C[C@@H]1CCC[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)[C@H]1C[NH3+] ZINC000430568146 389808426 /nfs/dbraw/zinc/80/84/26/389808426.db2.gz FNTARLSEJGGIFT-NEPJUHHUSA-N 2 2 296.415 0.766 20 0 CCADLP C[C@H]1CCC[N@H+](CCCN2C(=O)NC(C)(C)C2=O)[C@H]1C[NH3+] ZINC000430568150 389808484 /nfs/dbraw/zinc/80/84/84/389808484.db2.gz FNTARLSEJGGIFT-RYUDHWBXSA-N 2 2 296.415 0.766 20 0 CCADLP C[C@H]1CCC[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)[C@H]1C[NH3+] ZINC000430568150 389808486 /nfs/dbraw/zinc/80/84/86/389808486.db2.gz FNTARLSEJGGIFT-RYUDHWBXSA-N 2 2 296.415 0.766 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000403313106 389809068 /nfs/dbraw/zinc/80/90/68/389809068.db2.gz AOXPSZMTWDBCNK-HZSPNIEDSA-N 2 2 265.401 0.786 20 0 CCADLP CCc1cc(=O)[nH]c(C[NH2+][C@@](C)(C[NH3+])C2CC2)n1 ZINC000430586146 389809899 /nfs/dbraw/zinc/80/98/99/389809899.db2.gz VHZOSTLBUARVFZ-ZDUSSCGKSA-N 2 2 250.346 0.962 20 0 CCADLP CN(C)c1nc(N2CC[C@@H]3OCC[NH2+][C@@H]3C2)cc[nH+]1 ZINC000404187656 389810391 /nfs/dbraw/zinc/81/03/91/389810391.db2.gz FIIOTWZINXLUAC-MNOVXSKESA-N 2 2 263.345 0.110 20 0 CCADLP C[C@@H]1CN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C[C@H]1[NH3+] ZINC000417409842 389813428 /nfs/dbraw/zinc/81/34/28/389813428.db2.gz AGYJXXMCRZSALS-VXGBXAGGSA-N 2 2 284.404 0.086 20 0 CCADLP C[C@@H]1CN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C[C@H]1[NH3+] ZINC000417409842 389813431 /nfs/dbraw/zinc/81/34/31/389813431.db2.gz AGYJXXMCRZSALS-VXGBXAGGSA-N 2 2 284.404 0.086 20 0 CCADLP C[N@H+]([C@@H]1CCN(CC(F)(F)F)C1=O)C1CC[NH2+]CC1 ZINC000430644977 389815844 /nfs/dbraw/zinc/81/58/44/389815844.db2.gz ULYYQDDHHZTELH-SNVBAGLBSA-N 2 2 279.306 0.833 20 0 CCADLP C[N@@H+]([C@@H]1CCN(CC(F)(F)F)C1=O)C1CC[NH2+]CC1 ZINC000430644977 389815849 /nfs/dbraw/zinc/81/58/49/389815849.db2.gz ULYYQDDHHZTELH-SNVBAGLBSA-N 2 2 279.306 0.833 20 0 CCADLP O=C(COC1C[NH2+]C1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000430699024 389818577 /nfs/dbraw/zinc/81/85/77/389818577.db2.gz WWPNJVASZTYBDA-UHFFFAOYSA-N 2 2 272.308 0.799 20 0 CCADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)[C@@H]1COCC[NH2+]1 ZINC000430725426 389820060 /nfs/dbraw/zinc/82/00/60/389820060.db2.gz SXTFLUPJLCARAV-AWEZNQCLSA-N 2 2 286.335 0.477 20 0 CCADLP CC1(C)CN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC[NH2+]1 ZINC000417497976 389820836 /nfs/dbraw/zinc/82/08/36/389820836.db2.gz CLYFHQUCVKBCQR-UHFFFAOYSA-N 2 2 298.431 0.491 20 0 CCADLP CC1(C)CN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC[NH2+]1 ZINC000417497976 389820838 /nfs/dbraw/zinc/82/08/38/389820838.db2.gz CLYFHQUCVKBCQR-UHFFFAOYSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H]1CN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC[NH2+]1 ZINC000417502689 389821861 /nfs/dbraw/zinc/82/18/61/389821861.db2.gz JXZZUCLBZNRZTQ-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1CN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC[NH2+]1 ZINC000417502689 389821862 /nfs/dbraw/zinc/82/18/62/389821862.db2.gz JXZZUCLBZNRZTQ-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000417512996 389824013 /nfs/dbraw/zinc/82/40/13/389824013.db2.gz WJEZQQDIHLKUOL-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H](NC(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000417520287 389825754 /nfs/dbraw/zinc/82/57/54/389825754.db2.gz NOGQBQJXLVQHBT-YIYPIFLZSA-N 2 2 298.431 0.535 20 0 CCADLP C[C@H](CCC[NH3+])NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000417523770 389825899 /nfs/dbraw/zinc/82/58/99/389825899.db2.gz RRHHHTNDYVWKKL-JHJVBQTASA-N 2 2 286.420 0.522 20 0 CCADLP C[C@@H](NC(=O)N1CC[NH2+]C(C)(C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000417519591 389826059 /nfs/dbraw/zinc/82/60/59/389826059.db2.gz MTCNDKYKZOETNQ-OLZOCXBDSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](NC(=O)N[C@H](C[NH3+])C1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000417522199 389826156 /nfs/dbraw/zinc/82/61/56/389826156.db2.gz PYFAUEFYRWQVIL-GMXVVIOVSA-N 2 2 284.404 0.132 20 0 CCADLP COc1ccccc1[C@@H]([NH3+])C(=O)NCc1[nH+]ccn1C ZINC000430894901 389832660 /nfs/dbraw/zinc/83/26/60/389832660.db2.gz QHTNLCLIZAWAAC-CYBMUJFWSA-N 2 2 274.324 0.745 20 0 CCADLP COCC[NH2+]CC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000430909491 389834167 /nfs/dbraw/zinc/83/41/67/389834167.db2.gz OEPKJRCIPRHGOH-UHFFFAOYSA-N 2 2 262.313 0.817 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](C[NH2+]C)C2)CC1 ZINC000430934839 389836938 /nfs/dbraw/zinc/83/69/38/389836938.db2.gz QULRQLHXKATTRO-KBPBESRZSA-N 3 2 282.432 0.080 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](C[NH2+]C)C2)CC1 ZINC000430934839 389836940 /nfs/dbraw/zinc/83/69/40/389836940.db2.gz QULRQLHXKATTRO-KBPBESRZSA-N 3 2 282.432 0.080 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC[C@H]2CCCO2)C1 ZINC000430948206 389838356 /nfs/dbraw/zinc/83/83/56/389838356.db2.gz HKCNZYNGJXQLGD-RWMBFGLXSA-N 2 2 269.389 0.211 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC[C@H]2CCCO2)C1 ZINC000430948206 389838360 /nfs/dbraw/zinc/83/83/60/389838360.db2.gz HKCNZYNGJXQLGD-RWMBFGLXSA-N 2 2 269.389 0.211 20 0 CCADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000430949941 389838969 /nfs/dbraw/zinc/83/89/69/389838969.db2.gz FNKGRZKKOSRGEB-OCCSQVGLSA-N 2 2 289.379 0.907 20 0 CCADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000430949941 389838972 /nfs/dbraw/zinc/83/89/72/389838972.db2.gz FNKGRZKKOSRGEB-OCCSQVGLSA-N 2 2 289.379 0.907 20 0 CCADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000430949939 389839290 /nfs/dbraw/zinc/83/92/90/389839290.db2.gz FNKGRZKKOSRGEB-GXTWGEPZSA-N 2 2 289.379 0.907 20 0 CCADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000430949939 389839293 /nfs/dbraw/zinc/83/92/93/389839293.db2.gz FNKGRZKKOSRGEB-GXTWGEPZSA-N 2 2 289.379 0.907 20 0 CCADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C1 ZINC000430952624 389839318 /nfs/dbraw/zinc/83/93/18/389839318.db2.gz ZNPVDTYUTFDOQK-BFHYXJOUSA-N 2 2 281.400 0.437 20 0 CCADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)C1 ZINC000430952624 389839323 /nfs/dbraw/zinc/83/93/23/389839323.db2.gz ZNPVDTYUTFDOQK-BFHYXJOUSA-N 2 2 281.400 0.437 20 0 CCADLP Cc1cc(N2CC[C@H]([N@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)C2=O)n(C)n1 ZINC000430960579 389841263 /nfs/dbraw/zinc/84/12/63/389841263.db2.gz KGCVXEXCDKEWSW-UHTWSYAYSA-N 2 2 291.399 0.503 20 0 CCADLP Cc1cc(N2CC[C@H]([N@@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)C2=O)n(C)n1 ZINC000430960579 389841267 /nfs/dbraw/zinc/84/12/67/389841267.db2.gz KGCVXEXCDKEWSW-UHTWSYAYSA-N 2 2 291.399 0.503 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)CC1 ZINC000430969720 389841977 /nfs/dbraw/zinc/84/19/77/389841977.db2.gz DVZWEUWQYRBEAJ-TZMCWYRMSA-N 3 2 282.432 0.256 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)CC1 ZINC000430969720 389841980 /nfs/dbraw/zinc/84/19/80/389841980.db2.gz DVZWEUWQYRBEAJ-TZMCWYRMSA-N 3 2 282.432 0.256 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)CC1 ZINC000430973315 389842439 /nfs/dbraw/zinc/84/24/39/389842439.db2.gz WXRSAIKEKWBGIT-HZSPNIEDSA-N 3 2 282.432 0.208 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)CC1 ZINC000430973315 389842443 /nfs/dbraw/zinc/84/24/43/389842443.db2.gz WXRSAIKEKWBGIT-HZSPNIEDSA-N 3 2 282.432 0.208 20 0 CCADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)C[C@H]2CCC[NH2+]2)no1 ZINC000431042745 389847199 /nfs/dbraw/zinc/84/71/99/389847199.db2.gz KSZDFLFQVVJHAK-SNVBAGLBSA-N 2 2 295.387 0.625 20 0 CCADLP C[C@]1(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC[NH2+]C1 ZINC000431055690 389847744 /nfs/dbraw/zinc/84/77/44/389847744.db2.gz AGOKHQOCQLDSNE-AWEZNQCLSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@]1(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC[NH2+]C1 ZINC000431055690 389847748 /nfs/dbraw/zinc/84/77/48/389847748.db2.gz AGOKHQOCQLDSNE-AWEZNQCLSA-N 2 2 269.389 0.213 20 0 CCADLP COCC[NH2+]CCNC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000417811671 389851545 /nfs/dbraw/zinc/85/15/45/389851545.db2.gz OWHKBQNSYHESRG-LBPRGKRZSA-N 2 2 287.310 0.317 20 0 CCADLP C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(C[C@H](C)[NH3+])CC1 ZINC000442659525 389854002 /nfs/dbraw/zinc/85/40/02/389854002.db2.gz KXBFFTVRZMKZPE-QWHCGFSZSA-N 2 2 282.432 0.399 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCC1(O)CCOCC1 ZINC000353863698 389856429 /nfs/dbraw/zinc/85/64/29/389856429.db2.gz HAGJRVYXSADOBE-GXTWGEPZSA-N 2 2 268.401 0.990 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCC1(O)CCOCC1 ZINC000353863698 389856432 /nfs/dbraw/zinc/85/64/32/389856432.db2.gz HAGJRVYXSADOBE-GXTWGEPZSA-N 2 2 268.401 0.990 20 0 CCADLP Cc1cc(N2CC[C@H]([N@H+]3C[C@@H](C[NH3+])C[C@@H]3C)C2=O)n(C)n1 ZINC000442762057 389861375 /nfs/dbraw/zinc/86/13/75/389861375.db2.gz ZQUBDDRPFLWNOP-XQQFMLRXSA-N 2 2 291.399 0.503 20 0 CCADLP Cc1cc(N2CC[C@H]([N@@H+]3C[C@@H](C[NH3+])C[C@@H]3C)C2=O)n(C)n1 ZINC000442762057 389861378 /nfs/dbraw/zinc/86/13/78/389861378.db2.gz ZQUBDDRPFLWNOP-XQQFMLRXSA-N 2 2 291.399 0.503 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)n(C)n1 ZINC000442764757 389862026 /nfs/dbraw/zinc/86/20/26/389862026.db2.gz GNHVKNBQQQPCQT-WDEREUQCSA-N 2 2 265.361 0.336 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)n(C)n1 ZINC000442764757 389862029 /nfs/dbraw/zinc/86/20/29/389862029.db2.gz GNHVKNBQQQPCQT-WDEREUQCSA-N 2 2 265.361 0.336 20 0 CCADLP Cc1cc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)on1 ZINC000442785430 389863123 /nfs/dbraw/zinc/86/31/23/389863123.db2.gz VTRACPFENDAUDC-OUAUKWLOSA-N 2 2 266.345 0.979 20 0 CCADLP Cc1cc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)on1 ZINC000442785430 389863124 /nfs/dbraw/zinc/86/31/24/389863124.db2.gz VTRACPFENDAUDC-OUAUKWLOSA-N 2 2 266.345 0.979 20 0 CCADLP O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)[C@H]1CC[NH2+]1 ZINC000444166595 389893647 /nfs/dbraw/zinc/89/36/47/389893647.db2.gz KXQFTIIZJQPHOO-CABCVRRESA-N 2 2 289.379 0.538 20 0 CCADLP CC(C)[C@@H](C(=O)N1CC[NH+](C[C@@H](C)O)CC1)[NH+](C)C ZINC000444386663 389905754 /nfs/dbraw/zinc/90/57/54/389905754.db2.gz SUFLQKZSTNXFDF-OLZOCXBDSA-N 2 2 271.405 0.098 20 0 CCADLP CC(C)n1nccc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000575072778 335062283 /nfs/dbraw/zinc/06/22/83/335062283.db2.gz JYXISQNDNJZVOJ-OLZOCXBDSA-N 2 2 277.372 0.208 20 0 CCADLP CC(C)n1nccc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000575072778 335062284 /nfs/dbraw/zinc/06/22/84/335062284.db2.gz JYXISQNDNJZVOJ-OLZOCXBDSA-N 2 2 277.372 0.208 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[C@H](C)C[C@H]2C[NH3+])nc[nH+]1 ZINC000420259267 389974929 /nfs/dbraw/zinc/97/49/29/389974929.db2.gz LMYVMAITNGAPPR-SRVKXCTJSA-N 2 2 279.388 0.833 20 0 CCADLP C[C@H]1C[NH2+]CCN1c1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000420218047 389967332 /nfs/dbraw/zinc/96/73/32/389967332.db2.gz LHMCVWSAGMSTAW-NWDGAFQWSA-N 2 2 277.372 0.236 20 0 CCADLP Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C)C2)c(C)[nH+]1 ZINC000447145421 389947238 /nfs/dbraw/zinc/94/72/38/389947238.db2.gz HBCXYSQCGNXJDD-LBPRGKRZSA-N 2 2 290.367 0.705 20 0 CCADLP Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C)C2)c(C)[nH+]1 ZINC000447145421 389947240 /nfs/dbraw/zinc/94/72/40/389947240.db2.gz HBCXYSQCGNXJDD-LBPRGKRZSA-N 2 2 290.367 0.705 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000447437404 389955130 /nfs/dbraw/zinc/95/51/30/389955130.db2.gz CZYVADHTOCUHKK-XJKSGUPXSA-N 2 2 291.395 0.697 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000447437404 389955133 /nfs/dbraw/zinc/95/51/33/389955133.db2.gz CZYVADHTOCUHKK-XJKSGUPXSA-N 2 2 291.395 0.697 20 0 CCADLP CC[N@H+](CC(N)=O)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420925834 390037974 /nfs/dbraw/zinc/03/79/74/390037974.db2.gz WVTYEPLWYZIITN-UHFFFAOYSA-N 2 2 291.395 0.826 20 0 CCADLP CC[N@@H+](CC(N)=O)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420925834 390037977 /nfs/dbraw/zinc/03/79/77/390037977.db2.gz WVTYEPLWYZIITN-UHFFFAOYSA-N 2 2 291.395 0.826 20 0 CCADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCC[NH+]1CCOCC1 ZINC000457390960 390042130 /nfs/dbraw/zinc/04/21/30/390042130.db2.gz AOORDAUCCGJGTB-CQSZACIVSA-N 2 2 298.431 0.444 20 0 CCADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NCC[NH+]1CCOCC1 ZINC000457390960 390042134 /nfs/dbraw/zinc/04/21/34/390042134.db2.gz AOORDAUCCGJGTB-CQSZACIVSA-N 2 2 298.431 0.444 20 0 CCADLP CCS(=O)(=O)NCCC[N@@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000420291302 389978851 /nfs/dbraw/zinc/97/88/51/389978851.db2.gz NDORKSSLUMLQMC-NWDGAFQWSA-N 2 2 277.434 0.375 20 0 CCADLP CCS(=O)(=O)NCCC[N@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000420291302 389978852 /nfs/dbraw/zinc/97/88/52/389978852.db2.gz NDORKSSLUMLQMC-NWDGAFQWSA-N 2 2 277.434 0.375 20 0 CCADLP Cc1[nH+]ccn1CCCC[N@@H+]1CC(=O)N[C@H](C)C1 ZINC000448551652 389986827 /nfs/dbraw/zinc/98/68/27/389986827.db2.gz OFDWRFWBIKAOGD-LLVKDONJSA-N 2 2 250.346 0.792 20 0 CCADLP Cc1[nH+]ccn1CCCC[N@H+]1CC(=O)N[C@H](C)C1 ZINC000448551652 389986828 /nfs/dbraw/zinc/98/68/28/389986828.db2.gz OFDWRFWBIKAOGD-LLVKDONJSA-N 2 2 250.346 0.792 20 0 CCADLP C[N@H+](C[C@H](O)C[NH3+])[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000420350212 389988454 /nfs/dbraw/zinc/98/84/54/389988454.db2.gz GBEUUMHSLUZLTR-CHWSQXEVSA-N 2 2 297.786 0.697 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH3+])[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000420350212 389988456 /nfs/dbraw/zinc/98/84/56/389988456.db2.gz GBEUUMHSLUZLTR-CHWSQXEVSA-N 2 2 297.786 0.697 20 0 CCADLP C[C@H](C(=O)Nc1cccc(F)c1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420351817 389988763 /nfs/dbraw/zinc/98/87/63/389988763.db2.gz LBDJCRHYQNWHFM-SKDRFNHKSA-N 2 2 269.320 0.404 20 0 CCADLP C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420351817 389988765 /nfs/dbraw/zinc/98/87/65/389988765.db2.gz LBDJCRHYQNWHFM-SKDRFNHKSA-N 2 2 269.320 0.404 20 0 CCADLP CC(C)[C@@H](NC(=O)C[N@H+](C)C[C@@H](O)C[NH3+])c1ccccc1 ZINC000420351316 389988796 /nfs/dbraw/zinc/98/87/96/389988796.db2.gz JUBIHUVACHLQEK-GOEBONIOSA-N 2 2 293.411 0.751 20 0 CCADLP CC(C)[C@@H](NC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])c1ccccc1 ZINC000420351316 389988798 /nfs/dbraw/zinc/98/87/98/389988798.db2.gz JUBIHUVACHLQEK-GOEBONIOSA-N 2 2 293.411 0.751 20 0 CCADLP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420357144 389990600 /nfs/dbraw/zinc/99/06/00/389990600.db2.gz RVYMCUNIRZEFTH-GXTWGEPZSA-N 2 2 295.383 0.664 20 0 CCADLP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420357144 389990601 /nfs/dbraw/zinc/99/06/01/389990601.db2.gz RVYMCUNIRZEFTH-GXTWGEPZSA-N 2 2 295.383 0.664 20 0 CCADLP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420361561 389991797 /nfs/dbraw/zinc/99/17/97/389991797.db2.gz YJXOECJDXMCOJE-WPRPVWTQSA-N 2 2 287.310 0.543 20 0 CCADLP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420361561 389991799 /nfs/dbraw/zinc/99/17/99/389991799.db2.gz YJXOECJDXMCOJE-WPRPVWTQSA-N 2 2 287.310 0.543 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC000420361705 389991876 /nfs/dbraw/zinc/99/18/76/389991876.db2.gz IGLSLROSCWLZAA-MHDGFBEUSA-N 2 2 291.399 0.502 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+][C@H]1CCN(c2cnn(C)c2)C1=O ZINC000420361710 389991918 /nfs/dbraw/zinc/99/19/18/389991918.db2.gz IGLSLROSCWLZAA-RFHZTLPTSA-N 2 2 291.399 0.502 20 0 CCADLP C[C@@H](NC(=O)C[N@H+](C)C[C@H](O)C[NH3+])c1ccc(Cl)cc1 ZINC000420361475 389991978 /nfs/dbraw/zinc/99/19/78/389991978.db2.gz XXOBIJPSBJKYNI-ZWNOBZJWSA-N 2 2 299.802 0.769 20 0 CCADLP C[C@@H](NC(=O)C[N@@H+](C)C[C@H](O)C[NH3+])c1ccc(Cl)cc1 ZINC000420361475 389991980 /nfs/dbraw/zinc/99/19/80/389991980.db2.gz XXOBIJPSBJKYNI-ZWNOBZJWSA-N 2 2 299.802 0.769 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C)C[C@@H](C)O1 ZINC000420364934 389992890 /nfs/dbraw/zinc/99/28/90/389992890.db2.gz PORANJIEXHTYCS-IJLUTSLNSA-N 2 2 271.405 0.585 20 0 CCADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@H]1CCCOC1 ZINC000449390629 389993393 /nfs/dbraw/zinc/99/33/93/389993393.db2.gz GYZBKPZVIAEOEP-KGLIPLIRSA-N 2 2 256.390 0.849 20 0 CCADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]C[C@H]1CCCOC1 ZINC000449390629 389993395 /nfs/dbraw/zinc/99/33/95/389993395.db2.gz GYZBKPZVIAEOEP-KGLIPLIRSA-N 2 2 256.390 0.849 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420368310 389993424 /nfs/dbraw/zinc/99/34/24/389993424.db2.gz NNHWWXFCJCQGKP-ZDEQEGDKSA-N 2 2 298.431 0.833 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2CCO)[C@H](C)O1 ZINC000449396929 389993718 /nfs/dbraw/zinc/99/37/18/389993718.db2.gz NLRQMKVWICCLIU-RQJABVFESA-N 2 2 256.390 0.989 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@H+]2CCO)[C@H](C)O1 ZINC000449396929 389993719 /nfs/dbraw/zinc/99/37/19/389993719.db2.gz NLRQMKVWICCLIU-RQJABVFESA-N 2 2 256.390 0.989 20 0 CCADLP CC1(C)NC(=O)CC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449397146 389993722 /nfs/dbraw/zinc/99/37/22/389993722.db2.gz OLUFSYSEGRPKOR-OLZOCXBDSA-N 2 2 283.416 0.480 20 0 CCADLP CC1(C)NC(=O)CC[C@@H]1[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449397146 389993723 /nfs/dbraw/zinc/99/37/23/389993723.db2.gz OLUFSYSEGRPKOR-OLZOCXBDSA-N 2 2 283.416 0.480 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000449443708 389994247 /nfs/dbraw/zinc/99/42/47/389994247.db2.gz VBAFPZMLJKCLCF-TUAOUCFPSA-N 2 2 289.445 0.529 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000449443708 389994253 /nfs/dbraw/zinc/99/42/53/389994253.db2.gz VBAFPZMLJKCLCF-TUAOUCFPSA-N 2 2 289.445 0.529 20 0 CCADLP CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420397274 389996638 /nfs/dbraw/zinc/99/66/38/389996638.db2.gz XAILBDJTMSQDSM-LSDHHAIUSA-N 2 2 291.395 0.866 20 0 CCADLP CN(C)C(=O)[C@@H](c1ccccc1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420397274 389996641 /nfs/dbraw/zinc/99/66/41/389996641.db2.gz XAILBDJTMSQDSM-LSDHHAIUSA-N 2 2 291.395 0.866 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420404601 389997639 /nfs/dbraw/zinc/99/76/39/389997639.db2.gz MHUXQJPWECOFSO-ZIAGYGMSSA-N 2 2 285.432 0.836 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420404601 389997642 /nfs/dbraw/zinc/99/76/42/389997642.db2.gz MHUXQJPWECOFSO-ZIAGYGMSSA-N 2 2 285.432 0.836 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NCC2CCC2)C[C@@H]1C[NH3+] ZINC000420416264 389999095 /nfs/dbraw/zinc/99/90/95/389999095.db2.gz VQIKUHZKAJNDIY-YPMHNXCESA-N 2 2 253.390 0.819 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NCC2CCC2)C[C@@H]1C[NH3+] ZINC000420416264 389999096 /nfs/dbraw/zinc/99/90/96/389999096.db2.gz VQIKUHZKAJNDIY-YPMHNXCESA-N 2 2 253.390 0.819 20 0 CCADLP Cn1cc[nH+]c1CN1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000438101563 390000853 /nfs/dbraw/zinc/00/08/53/390000853.db2.gz UBIRNOLGRPAKFN-AWEZNQCLSA-N 2 2 278.400 0.964 20 0 CCADLP O[C@@H](C[NH2+]Cc1cc(C(F)(F)F)n[nH]1)C[NH+]1CCCC1 ZINC000440803431 390045295 /nfs/dbraw/zinc/04/52/95/390045295.db2.gz UEFKVGWIFRMUNJ-JTQLQIEISA-N 2 2 292.305 0.975 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000457000480 390023833 /nfs/dbraw/zinc/02/38/33/390023833.db2.gz UTROCTKUDBSGBZ-LSDHHAIUSA-N 2 2 289.379 0.490 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000457000480 390023834 /nfs/dbraw/zinc/02/38/34/390023834.db2.gz UTROCTKUDBSGBZ-LSDHHAIUSA-N 2 2 289.379 0.490 20 0 CCADLP CN(CC[NH+](C)C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000440275139 390034367 /nfs/dbraw/zinc/03/43/67/390034367.db2.gz YZAPGWRWABHFDL-NSHDSACASA-N 2 2 250.346 0.466 20 0 CCADLP C[C@@H](C(=O)NC(C)(C)C[NH+](C)C)[NH+]1CCOCC1 ZINC000457211200 390034828 /nfs/dbraw/zinc/03/48/28/390034828.db2.gz QUVHPFHROUPTMQ-NSHDSACASA-N 2 2 257.378 0.164 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC[NH2+]1 ZINC000478963406 390081083 /nfs/dbraw/zinc/08/10/83/390081083.db2.gz VBUQSPQXTWBZEI-AVGNSLFASA-N 2 2 269.389 0.211 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC[NH2+]1 ZINC000478963406 390081084 /nfs/dbraw/zinc/08/10/84/390081084.db2.gz VBUQSPQXTWBZEI-AVGNSLFASA-N 2 2 269.389 0.211 20 0 CCADLP Cc1cccc(NCCNc2nc(N(C)C)nc(C)[nH+]2)[nH+]1 ZINC000488431051 390093909 /nfs/dbraw/zinc/09/39/09/390093909.db2.gz FTXOFJRNJQXRLY-UHFFFAOYSA-N 2 2 287.371 0.895 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000493142579 390119504 /nfs/dbraw/zinc/11/95/04/390119504.db2.gz XDQTZMMNAIPIDP-RXNFCKPNSA-N 2 2 277.372 0.018 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000489493772 390100726 /nfs/dbraw/zinc/10/07/26/390100726.db2.gz GBCXKAUGCFOQHC-NSHDSACASA-N 2 2 264.377 0.564 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000489493772 390100727 /nfs/dbraw/zinc/10/07/27/390100727.db2.gz GBCXKAUGCFOQHC-NSHDSACASA-N 2 2 264.377 0.564 20 0 CCADLP Cc1nc(N2CC[C@H]([NH+]3CC=CC3)C2)nc(N(C)C)[nH+]1 ZINC000489920218 390102901 /nfs/dbraw/zinc/10/29/01/390102901.db2.gz TVHBGSLQYKRURJ-LBPRGKRZSA-N 2 2 274.372 0.697 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000491201237 390110411 /nfs/dbraw/zinc/11/04/11/390110411.db2.gz NFEUXJLUGOLSFF-WCQYABFASA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000491201237 390110412 /nfs/dbraw/zinc/11/04/12/390110412.db2.gz NFEUXJLUGOLSFF-WCQYABFASA-N 2 2 284.404 0.099 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)/C=C/C[NH+](C)C ZINC000491687013 390115926 /nfs/dbraw/zinc/11/59/26/390115926.db2.gz TVZHHNAAACYLEL-SOFGYWHQSA-N 2 2 262.357 0.882 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NC(C)(C)C[NH+](C)C ZINC000458302485 390055277 /nfs/dbraw/zinc/05/52/77/390055277.db2.gz KVXIZCXIACJWEY-LBPRGKRZSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NC(C)(C)C[NH+](C)C ZINC000458302485 390055278 /nfs/dbraw/zinc/05/52/78/390055278.db2.gz KVXIZCXIACJWEY-LBPRGKRZSA-N 2 2 286.420 0.347 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)NCCn1cc[nH+]c1 ZINC000493451618 390125866 /nfs/dbraw/zinc/12/58/66/390125866.db2.gz CNRWRCYFIFJVPZ-ONEGZZNKSA-N 2 2 259.313 0.929 20 0 CCADLP [NH3+][C@@H](C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)c1cscn1 ZINC000644135865 390142160 /nfs/dbraw/zinc/14/21/60/390142160.db2.gz TVELGGASUACHTR-FXPVBKGRSA-N 2 2 268.386 0.777 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494094137 390148490 /nfs/dbraw/zinc/14/84/90/390148490.db2.gz HUIPRPSOBVQLRK-LBPRGKRZSA-N 2 2 264.329 0.718 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494094137 390148494 /nfs/dbraw/zinc/14/84/94/390148494.db2.gz HUIPRPSOBVQLRK-LBPRGKRZSA-N 2 2 264.329 0.718 20 0 CCADLP COCC[NH+]1CCC([NH2+]C2(COC)CCOCC2)CC1 ZINC000579219043 390151941 /nfs/dbraw/zinc/15/19/41/390151941.db2.gz PNSYWJCHLLJVLZ-UHFFFAOYSA-N 2 2 286.416 0.882 20 0 CCADLP Cc1cc(NC(=O)N[C@H](C)C[NH+]2CCOCC2)c(C)c[nH+]1 ZINC000535773273 390152658 /nfs/dbraw/zinc/15/26/58/390152658.db2.gz DHRNUOUXPAFORH-CYBMUJFWSA-N 2 2 292.383 0.963 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)C1CCC(OC)CC1 ZINC000579608320 390190618 /nfs/dbraw/zinc/19/06/18/390190618.db2.gz PQWXZWGHDVKOJC-SLTAFYQDSA-N 2 2 288.432 0.815 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)C1CCC(OC)CC1 ZINC000579608320 390190620 /nfs/dbraw/zinc/19/06/20/390190620.db2.gz PQWXZWGHDVKOJC-SLTAFYQDSA-N 2 2 288.432 0.815 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)C1CCC(OC)CC1 ZINC000579608320 390190622 /nfs/dbraw/zinc/19/06/22/390190622.db2.gz PQWXZWGHDVKOJC-SLTAFYQDSA-N 2 2 288.432 0.815 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)C1CCC(OC)CC1 ZINC000579608320 390190625 /nfs/dbraw/zinc/19/06/25/390190625.db2.gz PQWXZWGHDVKOJC-SLTAFYQDSA-N 2 2 288.432 0.815 20 0 CCADLP C[NH+](C)C1(C[NH2+]CCC(N)=O)Cc2ccccc2C1 ZINC000579465059 390174584 /nfs/dbraw/zinc/17/45/84/390174584.db2.gz IGZUPOSBTBIURN-UHFFFAOYSA-N 2 2 261.369 0.551 20 0 CCADLP OCCC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647798306 390174698 /nfs/dbraw/zinc/17/46/98/390174698.db2.gz PFBUNMQQJQBVIT-JJXSEGSLSA-N 3 2 281.444 0.811 20 0 CCADLP OCCC[N@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647798306 390174701 /nfs/dbraw/zinc/17/47/01/390174701.db2.gz PFBUNMQQJQBVIT-JJXSEGSLSA-N 3 2 281.444 0.811 20 0 CCADLP CN(C(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1)C1CC1 ZINC000647815301 390179003 /nfs/dbraw/zinc/17/90/03/390179003.db2.gz YENIHQYZBQVYRG-UHFFFAOYSA-N 2 2 251.374 0.824 20 0 CCADLP CN(C(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1)C1CC1 ZINC000647815301 390179005 /nfs/dbraw/zinc/17/90/05/390179005.db2.gz YENIHQYZBQVYRG-UHFFFAOYSA-N 2 2 251.374 0.824 20 0 CCADLP C[C@H](c1nnnn1C1CC1)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000647906693 390213761 /nfs/dbraw/zinc/21/37/61/390213761.db2.gz LIAQRJBIOKAHNS-IVZWLZJFSA-N 2 2 250.350 0.738 20 0 CCADLP C[C@H](c1nnnn1C1CC1)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000647906693 390213764 /nfs/dbraw/zinc/21/37/64/390213764.db2.gz LIAQRJBIOKAHNS-IVZWLZJFSA-N 2 2 250.350 0.738 20 0 CCADLP CC[C@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)CC[C@H]1[NH3+] ZINC000647934550 390222079 /nfs/dbraw/zinc/22/20/79/390222079.db2.gz IUNRVAFOEZIUCR-NWDGAFQWSA-N 2 2 274.430 0.870 20 0 CCADLP CC[C@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)CC[C@H]1[NH3+] ZINC000647934550 390222082 /nfs/dbraw/zinc/22/20/82/390222082.db2.gz IUNRVAFOEZIUCR-NWDGAFQWSA-N 2 2 274.430 0.870 20 0 CCADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ncccn2)CC[C@@H]1[NH3+] ZINC000647940083 390223220 /nfs/dbraw/zinc/22/32/20/390223220.db2.gz LQSWRDORKQVYCP-UTUOFQBUSA-N 2 2 277.372 0.863 20 0 CCADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ncccn2)CC[C@@H]1[NH3+] ZINC000647940083 390223222 /nfs/dbraw/zinc/22/32/22/390223222.db2.gz LQSWRDORKQVYCP-UTUOFQBUSA-N 2 2 277.372 0.863 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000580189034 390227458 /nfs/dbraw/zinc/22/74/58/390227458.db2.gz FAMNDEICLRSGRF-SDDRHHMPSA-N 2 2 272.393 0.132 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000580189034 390227463 /nfs/dbraw/zinc/22/74/63/390227463.db2.gz FAMNDEICLRSGRF-SDDRHHMPSA-N 2 2 272.393 0.132 20 0 CCADLP CC(C)c1nc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc[nH+]1 ZINC000579613349 390193229 /nfs/dbraw/zinc/19/32/29/390193229.db2.gz MJJKLUNSENODBC-MNOVXSKESA-N 2 2 275.356 0.348 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(c2nc[nH+]c3c2OCCN3)C[C@H]1C ZINC000647867276 390198951 /nfs/dbraw/zinc/19/89/51/390198951.db2.gz DKZJMOHWRJOFSF-MNOVXSKESA-N 2 2 293.371 0.172 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(c2nc[nH+]c3c2OCCN3)C[C@H]1C ZINC000647867276 390198952 /nfs/dbraw/zinc/19/89/52/390198952.db2.gz DKZJMOHWRJOFSF-MNOVXSKESA-N 2 2 293.371 0.172 20 0 CCADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCn1cc[nH+]c1 ZINC000644520653 390243231 /nfs/dbraw/zinc/24/32/31/390243231.db2.gz VZBQQEYGOBROEI-INIZCTEOSA-N 3 2 288.395 0.966 20 0 CCADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCn1cc[nH+]c1 ZINC000644520653 390243234 /nfs/dbraw/zinc/24/32/34/390243234.db2.gz VZBQQEYGOBROEI-INIZCTEOSA-N 3 2 288.395 0.966 20 0 CCADLP Cc1cc(C)nc(N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)n1 ZINC000647988373 390240271 /nfs/dbraw/zinc/24/02/71/390240271.db2.gz AVHQXMBOQRMNMZ-CQSZACIVSA-N 2 2 275.400 0.825 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)CCc2c[nH+]cn2C)[C@@H](C)C1 ZINC000281763561 195369992 /nfs/dbraw/zinc/36/99/92/195369992.db2.gz ZYMKZDNVMAKILS-QWHCGFSZSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)CCc2c[nH+]cn2C)[C@@H](C)C1 ZINC000281763561 195369993 /nfs/dbraw/zinc/36/99/93/195369993.db2.gz ZYMKZDNVMAKILS-QWHCGFSZSA-N 2 2 294.399 0.266 20 0 CCADLP C[N@H+]1C[C@H]2[C@@H](CCN2CC[NH+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000644734333 390298686 /nfs/dbraw/zinc/29/86/86/390298686.db2.gz NWPBVLPHLKPCME-XQLPTFJDSA-N 2 2 265.401 0.486 20 0 CCADLP C[N@@H+]1C[C@H]2[C@@H](CCN2CC[NH+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000644734333 390298689 /nfs/dbraw/zinc/29/86/89/390298689.db2.gz NWPBVLPHLKPCME-XQLPTFJDSA-N 2 2 265.401 0.486 20 0 CCADLP C[NH+]1C[C@H]2[C@@H](CCN2CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000644734333 390298691 /nfs/dbraw/zinc/29/86/91/390298691.db2.gz NWPBVLPHLKPCME-XQLPTFJDSA-N 2 2 265.401 0.486 20 0 CCADLP C[NH+]1C[C@H]2[C@@H](CCN2CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000644734333 390298694 /nfs/dbraw/zinc/29/86/94/390298694.db2.gz NWPBVLPHLKPCME-XQLPTFJDSA-N 2 2 265.401 0.486 20 0 CCADLP CN1C[C@H](C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)OC1=O ZINC000496054324 390290060 /nfs/dbraw/zinc/29/00/60/390290060.db2.gz BNXABOITZRQIIP-QWHCGFSZSA-N 2 2 267.373 0.855 20 0 CCADLP CN1C[C@H](C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)OC1=O ZINC000496054324 390290062 /nfs/dbraw/zinc/29/00/62/390290062.db2.gz BNXABOITZRQIIP-QWHCGFSZSA-N 2 2 267.373 0.855 20 0 CCADLP C[NH+](C)CC1([NH2+]C[C@@H]2CNc3ccnn3C2)CCC1 ZINC000648030902 390254259 /nfs/dbraw/zinc/25/42/59/390254259.db2.gz YHPDBCWGBBLTPW-LBPRGKRZSA-N 2 2 263.389 0.999 20 0 CCADLP CCc1cc(NCCCN2CC[NH+](C)CC2)nc(C)[nH+]1 ZINC000543877392 390296952 /nfs/dbraw/zinc/29/69/52/390296952.db2.gz FGKNSOPZJWIEEY-UHFFFAOYSA-N 2 2 277.416 0.819 20 0 CCADLP CCc1cc(NCCC[NH+]2CCN(C)CC2)nc(C)[nH+]1 ZINC000543877392 390296955 /nfs/dbraw/zinc/29/69/55/390296955.db2.gz FGKNSOPZJWIEEY-UHFFFAOYSA-N 2 2 277.416 0.819 20 0 CCADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000648039251 390259509 /nfs/dbraw/zinc/25/95/09/390259509.db2.gz AUKOSTODXXVHIM-KBPBESRZSA-N 2 2 293.415 0.361 20 0 CCADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000648039251 390259510 /nfs/dbraw/zinc/25/95/10/390259510.db2.gz AUKOSTODXXVHIM-KBPBESRZSA-N 2 2 293.415 0.361 20 0 CCADLP Cc1cc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)ncn1 ZINC000644608782 390266350 /nfs/dbraw/zinc/26/63/50/390266350.db2.gz LSLICZKGQKUZCU-ZDUSSCGKSA-N 2 2 250.346 0.330 20 0 CCADLP Cc1cc(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)ncn1 ZINC000644608782 390266353 /nfs/dbraw/zinc/26/63/53/390266353.db2.gz LSLICZKGQKUZCU-ZDUSSCGKSA-N 2 2 250.346 0.330 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]([NH3+])c1cscn1)C1CC1 ZINC000582240257 390272257 /nfs/dbraw/zinc/27/22/57/390272257.db2.gz ZMLLXWMWBOYQME-QWRGUYRKSA-N 2 2 268.386 0.599 20 0 CCADLP CC[N@H+](CCOC)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000495987776 390278951 /nfs/dbraw/zinc/27/89/51/390278951.db2.gz JUZWXAQHWHDBJJ-HNNXBMFYSA-N 2 2 297.399 0.829 20 0 CCADLP CC[N@@H+](CCOC)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000495987776 390278954 /nfs/dbraw/zinc/27/89/54/390278954.db2.gz JUZWXAQHWHDBJJ-HNNXBMFYSA-N 2 2 297.399 0.829 20 0 CCADLP Cc1nc(N2CC([NH+](C)C)C2)cc(N2CC([NH+](C)C)C2)[nH+]1 ZINC000543435032 390282917 /nfs/dbraw/zinc/28/29/17/390282917.db2.gz AZYIEKYAYRQNBN-UHFFFAOYSA-N 3 2 290.415 0.285 20 0 CCADLP CCC[C@H](C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)OC ZINC000583495544 390287311 /nfs/dbraw/zinc/28/73/11/390287311.db2.gz KFQSSFKXUYKWDV-LXTVHRRPSA-N 2 2 288.432 0.861 20 0 CCADLP CCC[C@H](C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)OC ZINC000583495544 390287316 /nfs/dbraw/zinc/28/73/16/390287316.db2.gz KFQSSFKXUYKWDV-LXTVHRRPSA-N 2 2 288.432 0.861 20 0 CCADLP [NH3+][C@H](C(=O)N1CC[NH+](CCO)CC1)c1cccc(Cl)c1 ZINC000648136206 390303481 /nfs/dbraw/zinc/30/34/81/390303481.db2.gz HBKZYSSULUVJGI-ZDUSSCGKSA-N 2 2 297.786 0.476 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H](N2CCCC2=O)C1)C1CC1 ZINC000583781126 390311381 /nfs/dbraw/zinc/31/13/81/390311381.db2.gz RJYNZPYYVLNEPQ-GJZGRUSLSA-N 2 2 295.427 0.528 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H](N2CCCC2=O)C1)C1CC1 ZINC000583781126 390311383 /nfs/dbraw/zinc/31/13/83/390311383.db2.gz RJYNZPYYVLNEPQ-GJZGRUSLSA-N 2 2 295.427 0.528 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H](N2CCCC2=O)C1)C1CC1 ZINC000583781126 390311386 /nfs/dbraw/zinc/31/13/86/390311386.db2.gz RJYNZPYYVLNEPQ-GJZGRUSLSA-N 2 2 295.427 0.528 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H](N2CCCC2=O)C1)C1CC1 ZINC000583781126 390311388 /nfs/dbraw/zinc/31/13/88/390311388.db2.gz RJYNZPYYVLNEPQ-GJZGRUSLSA-N 2 2 295.427 0.528 20 0 CCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648158716 390318776 /nfs/dbraw/zinc/31/87/76/390318776.db2.gz WHVGJBKXKZJHQH-LPWJVIDDSA-N 2 2 272.352 0.527 20 0 CCADLP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000583889522 390321518 /nfs/dbraw/zinc/32/15/18/390321518.db2.gz NJDKCGPANCRSEZ-QWHCGFSZSA-N 2 2 276.384 0.856 20 0 CCADLP Cn1cc[nH+]c1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC000583889027 390321549 /nfs/dbraw/zinc/32/15/49/390321549.db2.gz OSQZNMIVYLRCDR-NEPJUHHUSA-N 2 2 262.357 0.939 20 0 CCADLP Cn1cc[nH+]c1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC000583889027 390321555 /nfs/dbraw/zinc/32/15/55/390321555.db2.gz OSQZNMIVYLRCDR-NEPJUHHUSA-N 2 2 262.357 0.939 20 0 CCADLP C[NH+](C)C1(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CCCC1 ZINC000583983616 390329721 /nfs/dbraw/zinc/32/97/21/390329721.db2.gz NHQSPYPUAVROSE-ZDUSSCGKSA-N 3 2 297.447 0.145 20 0 CCADLP C[NH+](C)C1(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CCCC1 ZINC000583983616 390329725 /nfs/dbraw/zinc/32/97/25/390329725.db2.gz NHQSPYPUAVROSE-ZDUSSCGKSA-N 3 2 297.447 0.145 20 0 CCADLP [NH3+]Cc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2ccncc2)o1 ZINC000648176681 390330277 /nfs/dbraw/zinc/33/02/77/390330277.db2.gz HUOUWSWTBXTCJA-ZDUSSCGKSA-N 2 2 286.335 0.920 20 0 CCADLP CCN(CCC[NH+](C)C)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000644876494 390335785 /nfs/dbraw/zinc/33/57/85/390335785.db2.gz MDKFCJHWZWVSGY-UHFFFAOYSA-N 2 2 277.376 0.724 20 0 CCADLP CN(C)c1[nH+]cc(CN2CC[N@H+](CCO)C(C)(C)C2)n1C ZINC000644903014 390342363 /nfs/dbraw/zinc/34/23/63/390342363.db2.gz RWHZYEUPSXGXFW-UHFFFAOYSA-N 2 2 295.431 0.375 20 0 CCADLP CN(C)c1[nH+]cc(CN2CC[N@@H+](CCO)C(C)(C)C2)n1C ZINC000644903014 390342364 /nfs/dbraw/zinc/34/23/64/390342364.db2.gz RWHZYEUPSXGXFW-UHFFFAOYSA-N 2 2 295.431 0.375 20 0 CCADLP CC(=O)NC1CCC([NH2+]CCn2cc[nH+]c2)CC1 ZINC000547981915 390412040 /nfs/dbraw/zinc/41/20/40/390412040.db2.gz HTJGJIFXOUWALR-UHFFFAOYSA-N 2 2 250.346 0.920 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000645471057 390432187 /nfs/dbraw/zinc/43/21/87/390432187.db2.gz DNKGQXRGJAWHGT-GHYVTOPFSA-N 2 2 254.374 0.599 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000645471057 390432192 /nfs/dbraw/zinc/43/21/92/390432192.db2.gz DNKGQXRGJAWHGT-GHYVTOPFSA-N 2 2 254.374 0.599 20 0 CCADLP CC[C@@H](OC)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602204109 390377582 /nfs/dbraw/zinc/37/75/82/390377582.db2.gz SBTBPVIZECRNSE-GXTWGEPZSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@@H](OC)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602204109 390377584 /nfs/dbraw/zinc/37/75/84/390377584.db2.gz SBTBPVIZECRNSE-GXTWGEPZSA-N 2 2 283.416 0.696 20 0 CCADLP Cc1sccc1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000645150881 390378945 /nfs/dbraw/zinc/37/89/45/390378945.db2.gz MGXFPKDIWPYVTA-UHFFFAOYSA-N 2 2 267.398 0.920 20 0 CCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000547539725 390382450 /nfs/dbraw/zinc/38/24/50/390382450.db2.gz TVCZZNMMSLOQKE-LBPRGKRZSA-N 2 2 264.373 0.763 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000547539725 390382453 /nfs/dbraw/zinc/38/24/53/390382453.db2.gz TVCZZNMMSLOQKE-LBPRGKRZSA-N 2 2 264.373 0.763 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1[C@@H](CO)CCC[C@@H]1C ZINC000518790965 390493782 /nfs/dbraw/zinc/49/37/82/390493782.db2.gz SENGRHVYKSVJMF-MJBXVCDLSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1[C@@H](CO)CCC[C@@H]1C ZINC000518790965 390493787 /nfs/dbraw/zinc/49/37/87/390493787.db2.gz SENGRHVYKSVJMF-MJBXVCDLSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1[C@@H](CO)CCC[C@@H]1C ZINC000518790965 390493789 /nfs/dbraw/zinc/49/37/89/390493789.db2.gz SENGRHVYKSVJMF-MJBXVCDLSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1[C@@H](CO)CCC[C@@H]1C ZINC000518790965 390493791 /nfs/dbraw/zinc/49/37/91/390493791.db2.gz SENGRHVYKSVJMF-MJBXVCDLSA-N 2 2 274.405 0.161 20 0 CCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1C)CC2 ZINC000518543115 390493974 /nfs/dbraw/zinc/49/39/74/390493974.db2.gz BRBFXGRSNSIUNZ-YPMHNXCESA-N 2 2 276.384 0.916 20 0 CCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1C)CC2 ZINC000518543115 390493979 /nfs/dbraw/zinc/49/39/79/390493979.db2.gz BRBFXGRSNSIUNZ-YPMHNXCESA-N 2 2 276.384 0.916 20 0 CCADLP CC(C)OC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000519400863 390499348 /nfs/dbraw/zinc/49/93/48/390499348.db2.gz UEPRCPVMJLNUOZ-UONOGXRCSA-N 2 2 274.405 0.209 20 0 CCADLP CC(C)OC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000519400863 390499349 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Nc1cc[nH+]cc1C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000649321387 390579872 /nfs/dbraw/zinc/57/98/72/390579872.db2.gz VXPIIYFMDZVCIB-ZIAGYGMSSA-N 2 2 290.367 0.165 20 0 CCADLP CC[C@H]1CCCC[N@@H+]1CCNC[C@H](O)C[NH+]1CCOCC1 ZINC000519637569 390521645 /nfs/dbraw/zinc/52/16/45/390521645.db2.gz JNICAQLEGMLDIM-HOTGVXAUSA-N 2 2 299.459 0.534 20 0 CCADLP CC[C@H]1CCCC[N@H+]1CCNC[C@H](O)C[NH+]1CCOCC1 ZINC000519637569 390521648 /nfs/dbraw/zinc/52/16/48/390521648.db2.gz JNICAQLEGMLDIM-HOTGVXAUSA-N 2 2 299.459 0.534 20 0 CCADLP O=C(NCc1cn2ccccc2[nH+]1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649279739 390546578 /nfs/dbraw/zinc/54/65/78/390546578.db2.gz RZZRJVHHRULPDW-PJXYFTJBSA-N 2 2 256.309 0.416 20 0 CCADLP O=C(NCCn1cc[nH+]c1)[C@@H]1C[NH2+]CCC1(F)F ZINC000649279613 390547331 /nfs/dbraw/zinc/54/73/31/390547331.db2.gz COLYQLUZWDLQFM-VIFPVBQESA-N 2 2 258.272 0.244 20 0 CCADLP [NH3+][C@H](C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)c1cscn1 ZINC000519820322 390547752 /nfs/dbraw/zinc/54/77/52/390547752.db2.gz 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390572283 /nfs/dbraw/zinc/57/22/83/390572283.db2.gz VRDGLJZGEMCNEP-NSHDSACASA-N 2 2 255.362 0.095 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)CC2([NH3+])CCC2)CCO1 ZINC000649312504 390572286 /nfs/dbraw/zinc/57/22/86/390572286.db2.gz VRDGLJZGEMCNEP-NSHDSACASA-N 2 2 255.362 0.095 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000520424746 390574387 /nfs/dbraw/zinc/57/43/87/390574387.db2.gz BWBQTUPIIKCEMI-OUAUKWLOSA-N 2 2 284.322 0.544 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000520424746 390574394 /nfs/dbraw/zinc/57/43/94/390574394.db2.gz BWBQTUPIIKCEMI-OUAUKWLOSA-N 2 2 284.322 0.544 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000520424746 390574398 /nfs/dbraw/zinc/57/43/98/390574398.db2.gz BWBQTUPIIKCEMI-OUAUKWLOSA-N 2 2 284.322 0.544 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000520424746 390574403 /nfs/dbraw/zinc/57/44/03/390574403.db2.gz BWBQTUPIIKCEMI-OUAUKWLOSA-N 2 2 284.322 0.544 20 0 CCADLP C[C@@H](NC(=O)N(C)CCC[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000566512675 390626260 /nfs/dbraw/zinc/62/62/60/390626260.db2.gz NSIPPXBDPBTNIP-NEPJUHHUSA-N 2 2 272.393 0.086 20 0 CCADLP Cc1cc(=NC(=O)CC[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)[nH]o1 ZINC000566557132 390628389 /nfs/dbraw/zinc/62/83/89/390628389.db2.gz OSKOIBVTDKYACU-GFCCVEGCSA-N 2 2 292.383 0.807 20 0 CCADLP Cc1cc(=NC(=O)CC[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)[nH]o1 ZINC000566557132 390628392 /nfs/dbraw/zinc/62/83/92/390628392.db2.gz OSKOIBVTDKYACU-GFCCVEGCSA-N 2 2 292.383 0.807 20 0 CCADLP CO[C@H](C[NH3+])C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000566615700 390633297 /nfs/dbraw/zinc/63/32/97/390633297.db2.gz UKYIUZGQJAONAU-GFCCVEGCSA-N 2 2 294.355 0.139 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000523440685 390636391 /nfs/dbraw/zinc/63/63/91/390636391.db2.gz NIJOMOBXEUUTNR-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000523440685 390636393 /nfs/dbraw/zinc/63/63/93/390636393.db2.gz NIJOMOBXEUUTNR-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000523440685 390636395 /nfs/dbraw/zinc/63/63/95/390636395.db2.gz NIJOMOBXEUUTNR-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000523440685 390636397 /nfs/dbraw/zinc/63/63/97/390636397.db2.gz NIJOMOBXEUUTNR-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP CCCNC(=O)[C@H](C)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103150 390597912 /nfs/dbraw/zinc/59/79/12/390597912.db2.gz FJOREDHQPAAOFF-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP CCCNC(=O)[C@H](C)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103150 390597916 /nfs/dbraw/zinc/59/79/16/390597916.db2.gz FJOREDHQPAAOFF-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@@H](C)NC(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102487 390598225 /nfs/dbraw/zinc/59/82/25/390598225.db2.gz KRFDISNHTJOVBA-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@@H](C)NC(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102487 390598231 /nfs/dbraw/zinc/59/82/31/390598231.db2.gz KRFDISNHTJOVBA-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCOCC2(CCC2)C1 ZINC000566417496 390600988 /nfs/dbraw/zinc/60/09/88/390600988.db2.gz VRGUYGATXXPTTM-AWEZNQCLSA-N 2 2 286.416 0.428 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCOCC2(CCC2)C1 ZINC000566417496 390600991 /nfs/dbraw/zinc/60/09/91/390600991.db2.gz VRGUYGATXXPTTM-AWEZNQCLSA-N 2 2 286.416 0.428 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCOCC2(CCC2)C1 ZINC000566417496 390600995 /nfs/dbraw/zinc/60/09/95/390600995.db2.gz VRGUYGATXXPTTM-AWEZNQCLSA-N 2 2 286.416 0.428 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCOCC2(CCC2)C1 ZINC000566417496 390600998 /nfs/dbraw/zinc/60/09/98/390600998.db2.gz VRGUYGATXXPTTM-AWEZNQCLSA-N 2 2 286.416 0.428 20 0 CCADLP C[C@H](CNC(=O)C[NH+]1CC(C)(C)C1)Cn1cc[nH+]c1 ZINC000566444392 390608370 /nfs/dbraw/zinc/60/83/70/390608370.db2.gz 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Cc1cc(NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)nc[nH+]1 ZINC000528129946 285385944 /nfs/dbraw/zinc/38/59/44/285385944.db2.gz IAZCYTQWIMVABC-HNNXBMFYSA-N 2 2 292.383 0.235 20 0 CCADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](C)[NH3+])C2)CC1 ZINC000567051872 390668707 /nfs/dbraw/zinc/66/87/07/390668707.db2.gz CEXFTTAIXIBLCY-KBPBESRZSA-N 3 2 254.422 0.434 20 0 CCADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@H](C)[NH3+])C2)CC1 ZINC000567051872 390668709 /nfs/dbraw/zinc/66/87/09/390668709.db2.gz CEXFTTAIXIBLCY-KBPBESRZSA-N 3 2 254.422 0.434 20 0 CCADLP C[C@@H]1C[N@@H+](CCCCNC(=O)Cn2cc[nH+]c2)C[C@H](C)O1 ZINC000567166406 390676829 /nfs/dbraw/zinc/67/68/29/390676829.db2.gz PVZYLNQNFMANJX-OKILXGFUSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@@H]1C[N@H+](CCCCNC(=O)Cn2cc[nH+]c2)C[C@H](C)O1 ZINC000567166406 390676831 /nfs/dbraw/zinc/67/68/31/390676831.db2.gz PVZYLNQNFMANJX-OKILXGFUSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@H](CC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)n1cc[nH+]c1 ZINC000567241751 390682392 /nfs/dbraw/zinc/68/23/92/390682392.db2.gz IKYQAYQCXQIVGX-KGLIPLIRSA-N 2 2 294.399 0.797 20 0 CCADLP C[C@H](CC(=O)NC[C@@H]1CCCC[N@H+]1CCO)n1cc[nH+]c1 ZINC000567241751 390682395 /nfs/dbraw/zinc/68/23/95/390682395.db2.gz IKYQAYQCXQIVGX-KGLIPLIRSA-N 2 2 294.399 0.797 20 0 CCADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C[C@@H](C)O)c2cc1C ZINC000567270507 390685973 /nfs/dbraw/zinc/68/59/73/390685973.db2.gz BQNSZPCEAIPQTH-OLZOCXBDSA-N 2 2 277.368 0.984 20 0 CCADLP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)CCc1c[nH+]cn1C ZINC000646472079 390687395 /nfs/dbraw/zinc/68/73/95/390687395.db2.gz ARSLTUJHMWCXKA-DGCLKSJQSA-N 2 2 264.373 0.904 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@H]3[NH2+]CC3(C)C)CC2)cc[nH+]1 ZINC000646481423 390687845 /nfs/dbraw/zinc/68/78/45/390687845.db2.gz JABSQVWFVBLVHG-CYBMUJFWSA-N 2 2 289.383 0.432 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000646516147 390689186 /nfs/dbraw/zinc/68/91/86/390689186.db2.gz LJQQSGPLSGDFIH-LBPRGKRZSA-N 2 2 274.324 0.667 20 0 CCADLP COC1CCC(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1 ZINC000567361998 390695046 /nfs/dbraw/zinc/69/50/46/390695046.db2.gz GABOBLLUQBTYSK-ROKHWSDSSA-N 2 2 298.431 0.476 20 0 CCADLP COC1CCC(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1 ZINC000567361998 390695047 /nfs/dbraw/zinc/69/50/47/390695047.db2.gz GABOBLLUQBTYSK-ROKHWSDSSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC000567386946 390697010 /nfs/dbraw/zinc/69/70/10/390697010.db2.gz SIJFCVVKGZVQNT-AGIUHOORSA-N 2 2 283.416 0.742 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CC(C)C2)CC1 ZINC000567485769 390700603 /nfs/dbraw/zinc/70/06/03/390700603.db2.gz PSYPKRAREMRFHQ-CYBMUJFWSA-N 2 2 269.389 0.117 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC2(C(F)(F)F)CC2)[C@H](C[NH3+])C1 ZINC000571865351 390756455 /nfs/dbraw/zinc/75/64/55/390756455.db2.gz FTOWXLSVYARVIQ-SECBINFHSA-N 2 2 294.321 0.613 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC2(C(F)(F)F)CC2)[C@H](C[NH3+])C1 ZINC000571865351 390756457 /nfs/dbraw/zinc/75/64/57/390756457.db2.gz FTOWXLSVYARVIQ-SECBINFHSA-N 2 2 294.321 0.613 20 0 CCADLP CC[C@@H]1CN(C(=O)C[N@H+](C)CC(=O)NC(C)C)CC[C@@H]1[NH3+] ZINC000647005498 390756522 /nfs/dbraw/zinc/75/65/22/390756522.db2.gz AURISAOYXFANOG-OLZOCXBDSA-N 2 2 298.431 0.029 20 0 CCADLP CC[C@@H]1CN(C(=O)C[N@@H+](C)CC(=O)NC(C)C)CC[C@@H]1[NH3+] ZINC000647005498 390756525 /nfs/dbraw/zinc/75/65/25/390756525.db2.gz AURISAOYXFANOG-OLZOCXBDSA-N 2 2 298.431 0.029 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000571895688 390758575 /nfs/dbraw/zinc/75/85/75/390758575.db2.gz KEWZBTLDSXROAT-ZDUSSCGKSA-N 2 2 298.431 0.396 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000571895688 390758576 /nfs/dbraw/zinc/75/85/76/390758576.db2.gz KEWZBTLDSXROAT-ZDUSSCGKSA-N 2 2 298.431 0.396 20 0 CCADLP CN(C)C(=O)CC[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528727281 390771753 /nfs/dbraw/zinc/77/17/53/390771753.db2.gz JHCKLUBIDBGNBR-UHFFFAOYSA-N 2 2 283.416 0.651 20 0 CCADLP CC(C)C[C@@H](C[NH3+])NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000572241452 390774089 /nfs/dbraw/zinc/77/40/89/390774089.db2.gz VYYMFLXDQPEPLM-NSHDSACASA-N 2 2 288.355 0.766 20 0 CCADLP Cc1cccc2[nH+]c(CCNC(=O)COCC[NH3+])cn21 ZINC000647098562 390775327 /nfs/dbraw/zinc/77/53/27/390775327.db2.gz UAJJKNXMBXDYFW-UHFFFAOYSA-N 2 2 276.340 0.277 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000528784526 390778187 /nfs/dbraw/zinc/77/81/87/390778187.db2.gz NZRNNEUDAMEENG-UHFFFAOYSA-N 3 2 293.415 0.334 20 0 CCADLP C[C@H](CO[C@@H]1CCOC1)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000572751743 390801364 /nfs/dbraw/zinc/80/13/64/390801364.db2.gz SJGHLTYSSJLDMF-KWCYVHTRSA-N 2 2 272.389 0.225 20 0 CCADLP C[C@H](CO[C@@H]1CCOC1)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000572751743 390801371 /nfs/dbraw/zinc/80/13/71/390801371.db2.gz SJGHLTYSSJLDMF-KWCYVHTRSA-N 2 2 272.389 0.225 20 0 CCADLP O=C(NCCn1cc[nH+]c1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529280701 390801629 /nfs/dbraw/zinc/80/16/29/390801629.db2.gz AUKSHROWKXPLTR-LLVKDONJSA-N 2 2 263.345 0.467 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529290120 390802103 /nfs/dbraw/zinc/80/21/03/390802103.db2.gz JPSXIKQXEPRVOS-NEPJUHHUSA-N 2 2 277.372 0.855 20 0 CCADLP CN1CC[NH2+]C[C@H]1CNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000571623224 390744798 /nfs/dbraw/zinc/74/47/98/390744798.db2.gz RKJBUFFRYBGJJX-LBPRGKRZSA-N 2 2 288.355 0.359 20 0 CCADLP O=C1C[C@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CN1C1CC1 ZINC000578185563 390868907 /nfs/dbraw/zinc/86/89/07/390868907.db2.gz WLFQIIXHVYWOFP-CORIIIEPSA-N 2 2 279.384 0.106 20 0 CCADLP C[C@@H](O)[C@@H](C)[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000578315984 390876191 /nfs/dbraw/zinc/87/61/91/390876191.db2.gz IQIJCSVLHBTDPN-ZIAGYGMSSA-N 2 2 293.415 0.348 20 0 CCADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cc2n(n1)CCCC2 ZINC000647300236 390809515 /nfs/dbraw/zinc/80/95/15/390809515.db2.gz ZSGOPERPGBMKBU-DOMZBBRYSA-N 2 2 278.400 0.937 20 0 CCADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cc2n(n1)CCCC2 ZINC000647300236 390809518 /nfs/dbraw/zinc/80/95/18/390809518.db2.gz ZSGOPERPGBMKBU-DOMZBBRYSA-N 2 2 278.400 0.937 20 0 CCADLP COC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000572996751 390818402 /nfs/dbraw/zinc/81/84/02/390818402.db2.gz LVVDEXGLZNZEFV-ZJUUUORDSA-N 2 2 280.328 0.006 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000529362426 390818839 /nfs/dbraw/zinc/81/88/39/390818839.db2.gz FDXUTCRZZBVBIE-TZMCWYRMSA-N 2 2 292.383 0.513 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000647460545 390821776 /nfs/dbraw/zinc/82/17/76/390821776.db2.gz PVQAPRPQHHVWNI-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000647460545 390821778 /nfs/dbraw/zinc/82/17/78/390821778.db2.gz PVQAPRPQHHVWNI-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP C[NH2+]CCC[N@H+](C)CC(=O)NCc1cccnc1 ZINC000574919832 390825171 /nfs/dbraw/zinc/82/51/71/390825171.db2.gz NJDYHWLUQPZQRM-UHFFFAOYSA-N 2 2 250.346 0.239 20 0 CCADLP C[NH2+]CCC[N@@H+](C)CC(=O)NCc1cccnc1 ZINC000574919832 390825173 /nfs/dbraw/zinc/82/51/73/390825173.db2.gz NJDYHWLUQPZQRM-UHFFFAOYSA-N 2 2 250.346 0.239 20 0 CCADLP COCC[NH2+]C1CCN(Cc2[nH+]ccn2C)CC1 ZINC000574920340 390825184 /nfs/dbraw/zinc/82/51/84/390825184.db2.gz HJDGPAJMMSMGIS-UHFFFAOYSA-N 2 2 252.362 0.621 20 0 CCADLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(N)nc3)CC2)C1 ZINC000647516195 390828661 /nfs/dbraw/zinc/82/86/61/390828661.db2.gz VKCXKMILAOREQR-HNNXBMFYSA-N 2 2 289.427 0.706 20 0 CCADLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(N)nc3)CC2)C1 ZINC000647516195 390828663 /nfs/dbraw/zinc/82/86/63/390828663.db2.gz VKCXKMILAOREQR-HNNXBMFYSA-N 2 2 289.427 0.706 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)Cn1c[nH+]cc1C ZINC000529421033 390830194 /nfs/dbraw/zinc/83/01/94/390830194.db2.gz HNLRZYQDQXRTJJ-UHFFFAOYSA-N 2 2 260.297 0.912 20 0 CCADLP Cc1cn[nH]c1C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000647545761 390838753 /nfs/dbraw/zinc/83/87/53/390838753.db2.gz OPXLSGUGHGWYSY-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP Cc1cn[nH]c1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000647545761 390838758 /nfs/dbraw/zinc/83/87/58/390838758.db2.gz OPXLSGUGHGWYSY-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP Cc1cn[nH]c1C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000647545762 390839182 /nfs/dbraw/zinc/83/91/82/390839182.db2.gz OPXLSGUGHGWYSY-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP Cc1cn[nH]c1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000647545762 390839183 /nfs/dbraw/zinc/83/91/83/390839183.db2.gz OPXLSGUGHGWYSY-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533867767 390886886 /nfs/dbraw/zinc/88/68/86/390886886.db2.gz WLQYGPIQOBUGRA-LBPRGKRZSA-N 2 2 264.373 0.982 20 0 CCADLP CC(C)CNC(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533867767 390886888 /nfs/dbraw/zinc/88/68/88/390886888.db2.gz WLQYGPIQOBUGRA-LBPRGKRZSA-N 2 2 264.373 0.982 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCC(=O)N2CCOCC2)C1 ZINC000533868140 390887318 /nfs/dbraw/zinc/88/73/18/390887318.db2.gz UAOSMULKTYMBIG-ZDUSSCGKSA-N 2 2 292.383 0.458 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCC(=O)N2CCOCC2)C1 ZINC000533868140 390887320 /nfs/dbraw/zinc/88/73/20/390887320.db2.gz UAOSMULKTYMBIG-ZDUSSCGKSA-N 2 2 292.383 0.458 20 0 CCADLP CCOC[C@H](O)C[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000578545567 390891451 /nfs/dbraw/zinc/89/14/51/390891451.db2.gz VYZWYVMRUVJPLT-DZGCQCFKSA-N 2 2 286.416 0.569 20 0 CCADLP CCOC[C@H](O)C[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000578545567 390891455 /nfs/dbraw/zinc/89/14/55/390891455.db2.gz VYZWYVMRUVJPLT-DZGCQCFKSA-N 2 2 286.416 0.569 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CCNS(C)(=O)=O)C[C@@H]1C ZINC000407949916 285396010 /nfs/dbraw/zinc/39/60/10/285396010.db2.gz WLYDNXNFCZGJOW-RYUDHWBXSA-N 2 2 277.434 0.340 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CCNS(C)(=O)=O)C[C@@H]1C ZINC000407949916 285396012 /nfs/dbraw/zinc/39/60/12/285396012.db2.gz WLYDNXNFCZGJOW-RYUDHWBXSA-N 2 2 277.434 0.340 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CCNS(C)(=O)=O)C[C@@H]1C ZINC000407949916 285396013 /nfs/dbraw/zinc/39/60/13/285396013.db2.gz WLYDNXNFCZGJOW-RYUDHWBXSA-N 2 2 277.434 0.340 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CCNS(C)(=O)=O)C[C@@H]1C ZINC000407949916 285396014 /nfs/dbraw/zinc/39/60/14/285396014.db2.gz WLYDNXNFCZGJOW-RYUDHWBXSA-N 2 2 277.434 0.340 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](O)C12CCCC2 ZINC000578761552 390900762 /nfs/dbraw/zinc/90/07/62/390900762.db2.gz JIRNEWKBKMGLRT-KBPBESRZSA-N 2 2 286.416 0.305 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](O)C12CCCC2 ZINC000578761552 390900764 /nfs/dbraw/zinc/90/07/64/390900764.db2.gz JIRNEWKBKMGLRT-KBPBESRZSA-N 2 2 286.416 0.305 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000578761552 390900765 /nfs/dbraw/zinc/90/07/65/390900765.db2.gz JIRNEWKBKMGLRT-KBPBESRZSA-N 2 2 286.416 0.305 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](O)C12CCCC2 ZINC000578761552 390900767 /nfs/dbraw/zinc/90/07/67/390900767.db2.gz JIRNEWKBKMGLRT-KBPBESRZSA-N 2 2 286.416 0.305 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CC[C@H]2O)CC1 ZINC000425357040 533381778 /nfs/dbraw/zinc/38/17/78/533381778.db2.gz ONQMSWXTUPFZPG-CHWSQXEVSA-N 2 2 270.373 0.517 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CC(C)C)C[C@@H]1C ZINC000423894123 533421161 /nfs/dbraw/zinc/42/11/61/533421161.db2.gz LRFWCIJSTYMIAK-STQMWFEESA-N 2 2 299.415 0.456 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]([NH3+])CC(C)C)C[C@@H]1C ZINC000423894123 533421163 /nfs/dbraw/zinc/42/11/63/533421163.db2.gz LRFWCIJSTYMIAK-STQMWFEESA-N 2 2 299.415 0.456 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]([NH3+])C2CCC2)C[C@H]1C ZINC000423904667 533422950 /nfs/dbraw/zinc/42/29/50/533422950.db2.gz YCSDHOXRVPNSOW-BXUZGUMPSA-N 2 2 297.399 0.210 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]([NH3+])C2CCC2)C[C@H]1C ZINC000423904667 533422955 /nfs/dbraw/zinc/42/29/55/533422955.db2.gz YCSDHOXRVPNSOW-BXUZGUMPSA-N 2 2 297.399 0.210 20 0 CCADLP C[C@@H](CC[NH3+])NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000423531591 533578825 /nfs/dbraw/zinc/57/88/25/533578825.db2.gz QOFYZFUCIKKIKT-AAEUAGOBSA-N 2 2 269.389 0.483 20 0 CCADLP C[C@@H](CC[NH3+])NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000423531591 533578828 /nfs/dbraw/zinc/57/88/28/533578828.db2.gz QOFYZFUCIKKIKT-AAEUAGOBSA-N 2 2 269.389 0.483 20 0 CCADLP CSCC[C@H]([NH3+])C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424178294 533647010 /nfs/dbraw/zinc/64/70/10/533647010.db2.gz QYDHFJXNNIRPOF-BDAKNGLRSA-N 2 2 281.372 0.428 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000341808256 130070871 /nfs/dbraw/zinc/07/08/71/130070871.db2.gz OUNFQXBGNUMIBY-JHJVBQTASA-N 2 2 269.389 0.021 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000341808256 130070872 /nfs/dbraw/zinc/07/08/72/130070872.db2.gz OUNFQXBGNUMIBY-JHJVBQTASA-N 2 2 269.389 0.021 20 0 CCADLP C[NH2+]CC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000237248351 131017693 /nfs/dbraw/zinc/01/76/93/131017693.db2.gz AMGXAFCOOIXZOD-UHFFFAOYSA-N 2 2 262.357 0.908 20 0 CCADLP O=C(NC[C@H]1CCC[NH2+]C1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000237998296 131072041 /nfs/dbraw/zinc/07/20/41/131072041.db2.gz IKQFSTQCKDWUPX-LBPRGKRZSA-N 2 2 285.351 0.997 20 0 CCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1CC[NH2+]C1 ZINC000238084447 131075893 /nfs/dbraw/zinc/07/58/93/131075893.db2.gz GPWBVIQSQWBTQG-CYBMUJFWSA-N 2 2 274.368 0.908 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000251068988 131128611 /nfs/dbraw/zinc/12/86/11/131128611.db2.gz FAPBCGRGRATNOP-HZSPNIEDSA-N 2 2 283.416 0.731 20 0 CCADLP COC[C@H]([NH3+])C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000251742312 131130033 /nfs/dbraw/zinc/13/00/33/131130033.db2.gz KXEMOWULEGLLSE-WOPDTQHZSA-N 2 2 255.362 0.045 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251903343 131131176 /nfs/dbraw/zinc/13/11/76/131131176.db2.gz WPJRFSVILFSGRE-GHMZBOCLSA-N 2 2 270.377 0.137 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251903343 131131178 /nfs/dbraw/zinc/13/11/78/131131178.db2.gz WPJRFSVILFSGRE-GHMZBOCLSA-N 2 2 270.377 0.137 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C[C@H]1COCC[NH2+]1 ZINC000262386152 131217345 /nfs/dbraw/zinc/21/73/45/131217345.db2.gz NOFUCDIUQQYUHR-VIFPVBQESA-N 2 2 251.286 0.407 20 0 CCADLP Cc1ccc([C@H]([NH3+])C(=O)NCC(F)(F)C[NH3+])cc1 ZINC000262655129 131247618 /nfs/dbraw/zinc/24/76/18/131247618.db2.gz MHHMCIMCGCVWPP-JTQLQIEISA-N 2 2 257.284 0.705 20 0 CCADLP C[C@@H](CNC(N)=[NH2+])[NH+]1CCN(c2ccccc2)CC1 ZINC000263939528 131364925 /nfs/dbraw/zinc/36/49/25/131364925.db2.gz CUQYSOTXBMLQFE-LBPRGKRZSA-N 2 2 261.373 0.680 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000269270733 132147641 /nfs/dbraw/zinc/14/76/41/132147641.db2.gz SDZTUINTFQIULY-GFCCVEGCSA-N 2 2 295.387 0.009 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000269284192 132149371 /nfs/dbraw/zinc/14/93/71/132149371.db2.gz RPSRSLXDDFJZOF-LBPRGKRZSA-N 2 2 273.340 0.980 20 0 CCADLP CCCC(=O)NC1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000685561432 545834087 /nfs/dbraw/zinc/83/40/87/545834087.db2.gz SJXWREGDNCJRHL-HNNXBMFYSA-N 2 2 297.443 0.822 20 0 CCADLP CCCC(=O)NC1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000685561432 545834090 /nfs/dbraw/zinc/83/40/90/545834090.db2.gz SJXWREGDNCJRHL-HNNXBMFYSA-N 2 2 297.443 0.822 20 0 CCADLP c1cn(CC[NH2+]C2CCN(c3cnccn3)CC2)c[nH+]1 ZINC000531947643 285759652 /nfs/dbraw/zinc/75/96/52/285759652.db2.gz YFOJSWNIECIIHR-UHFFFAOYSA-N 2 2 272.356 0.932 20 0 CCADLP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(CCC[NH3+])CC1 ZINC000037037910 397380239 /nfs/dbraw/zinc/38/02/39/397380239.db2.gz AXFKZGRIRYUPFF-ZDUSSCGKSA-N 2 2 282.432 0.400 20 0 CCADLP C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](CCC[NH3+])CC1 ZINC000037037910 397380245 /nfs/dbraw/zinc/38/02/45/397380245.db2.gz AXFKZGRIRYUPFF-ZDUSSCGKSA-N 2 2 282.432 0.400 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000356880172 144040595 /nfs/dbraw/zinc/04/05/95/144040595.db2.gz NUVGFOMEWAUVBA-MCIONIFRSA-N 2 2 283.416 0.506 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000356880172 144040597 /nfs/dbraw/zinc/04/05/97/144040597.db2.gz NUVGFOMEWAUVBA-MCIONIFRSA-N 2 2 283.416 0.506 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000356880169 144040720 /nfs/dbraw/zinc/04/07/20/144040720.db2.gz NUVGFOMEWAUVBA-HZSPNIEDSA-N 2 2 283.416 0.506 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000356880169 144040721 /nfs/dbraw/zinc/04/07/21/144040721.db2.gz NUVGFOMEWAUVBA-HZSPNIEDSA-N 2 2 283.416 0.506 20 0 CCADLP C[C@@H](CNC(=O)C[C@H]1COCC[NH2+]1)Cn1cc[nH+]c1 ZINC000357206050 144069702 /nfs/dbraw/zinc/06/97/02/144069702.db2.gz WHTNDSGTSNOFSY-RYUDHWBXSA-N 2 2 266.345 0.014 20 0 CCADLP C[NH2+]CCC(=O)NCCCCNc1cccc[nH+]1 ZINC000357241483 144072482 /nfs/dbraw/zinc/07/24/82/144072482.db2.gz LLCCPHZBFZNBRA-UHFFFAOYSA-N 2 2 250.346 0.999 20 0 CCADLP C[C@@H](C[NH3+])C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000357246560 144073378 /nfs/dbraw/zinc/07/33/78/144073378.db2.gz XYVQSHWTCLMMQQ-QMMMGPOBSA-N 2 2 278.278 0.999 20 0 CCADLP CCOCCOC[C@H](O)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000357858713 144127244 /nfs/dbraw/zinc/12/72/44/144127244.db2.gz WHDKDMREHUWEGI-CFVMTHIKSA-N 2 2 286.416 0.473 20 0 CCADLP CCOCCOC[C@H](O)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000357858713 144127246 /nfs/dbraw/zinc/12/72/46/144127246.db2.gz WHDKDMREHUWEGI-CFVMTHIKSA-N 2 2 286.416 0.473 20 0 CCADLP CCOCCOC[C@H](O)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000357858716 144127360 /nfs/dbraw/zinc/12/73/60/144127360.db2.gz WHDKDMREHUWEGI-YUELXQCFSA-N 2 2 286.416 0.473 20 0 CCADLP CCOCCOC[C@H](O)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000357858716 144127361 /nfs/dbraw/zinc/12/73/61/144127361.db2.gz WHDKDMREHUWEGI-YUELXQCFSA-N 2 2 286.416 0.473 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCC2)C1 ZINC000357951207 144136041 /nfs/dbraw/zinc/13/60/41/144136041.db2.gz YWWURRCTMKOPBR-ZDUSSCGKSA-N 2 2 253.390 0.882 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCC2)C1 ZINC000357951207 144136043 /nfs/dbraw/zinc/13/60/43/144136043.db2.gz YWWURRCTMKOPBR-ZDUSSCGKSA-N 2 2 253.390 0.882 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC000357951207 144136045 /nfs/dbraw/zinc/13/60/45/144136045.db2.gz YWWURRCTMKOPBR-ZDUSSCGKSA-N 2 2 253.390 0.882 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC000357951207 144136046 /nfs/dbraw/zinc/13/60/46/144136046.db2.gz YWWURRCTMKOPBR-ZDUSSCGKSA-N 2 2 253.390 0.882 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)c1csc(CC[NH3+])n1 ZINC000358844807 144182858 /nfs/dbraw/zinc/18/28/58/144182858.db2.gz GHUSJZCXWCJXAI-SNVBAGLBSA-N 2 2 298.412 0.095 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)c1csc(CC[NH3+])n1 ZINC000358844807 144182859 /nfs/dbraw/zinc/18/28/59/144182859.db2.gz GHUSJZCXWCJXAI-SNVBAGLBSA-N 2 2 298.412 0.095 20 0 CCADLP C[C@H](C1CC1)N(C(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)C1CC1 ZINC000359267516 144208187 /nfs/dbraw/zinc/20/81/87/144208187.db2.gz ABKONIBNSAMOJK-MRVWCRGKSA-N 2 2 277.412 0.927 20 0 CCADLP NC(=O)C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000368594952 144234271 /nfs/dbraw/zinc/23/42/71/144234271.db2.gz VIEFEPHWTDBIJR-CABCVRRESA-N 2 2 273.380 0.926 20 0 CCADLP NC(=O)C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000368594952 144234272 /nfs/dbraw/zinc/23/42/72/144234272.db2.gz VIEFEPHWTDBIJR-CABCVRRESA-N 2 2 273.380 0.926 20 0 CCADLP NC(=O)C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000368594952 144234274 /nfs/dbraw/zinc/23/42/74/144234274.db2.gz VIEFEPHWTDBIJR-CABCVRRESA-N 2 2 273.380 0.926 20 0 CCADLP NC(=O)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000368594952 144234276 /nfs/dbraw/zinc/23/42/76/144234276.db2.gz VIEFEPHWTDBIJR-CABCVRRESA-N 2 2 273.380 0.926 20 0 CCADLP Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000369277501 144261401 /nfs/dbraw/zinc/26/14/01/144261401.db2.gz LYHCFAHBMPCGBW-GFCCVEGCSA-N 2 2 292.383 0.881 20 0 CCADLP Cc1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000369277501 144261402 /nfs/dbraw/zinc/26/14/02/144261402.db2.gz LYHCFAHBMPCGBW-GFCCVEGCSA-N 2 2 292.383 0.881 20 0 CCADLP CCOCC[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000369724295 144278222 /nfs/dbraw/zinc/27/82/22/144278222.db2.gz UYVXOZSRHHERGS-CABCVRRESA-N 2 2 286.416 0.428 20 0 CCADLP CCOCC[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000369724295 144278220 /nfs/dbraw/zinc/27/82/20/144278220.db2.gz UYVXOZSRHHERGS-CABCVRRESA-N 2 2 286.416 0.428 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000370635848 144310665 /nfs/dbraw/zinc/31/06/65/144310665.db2.gz RABRJSWHJYPWRX-DZGCQCFKSA-N 2 2 297.399 0.932 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000371535402 144335624 /nfs/dbraw/zinc/33/56/24/144335624.db2.gz RAWIAIKTXILWTG-STQMWFEESA-N 2 2 281.356 0.926 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1CCCn1cc[nH+]c1 ZINC000371535402 144335625 /nfs/dbraw/zinc/33/56/25/144335625.db2.gz RAWIAIKTXILWTG-STQMWFEESA-N 2 2 281.356 0.926 20 0 CCADLP C(C[NH+]1CCCCC1)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000372464829 144368161 /nfs/dbraw/zinc/36/81/61/144368161.db2.gz RSABWQGEHGVJHK-HNNXBMFYSA-N 2 2 267.417 0.879 20 0 CCADLP C(C[NH+]1CCCCC1)C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000372464829 144368162 /nfs/dbraw/zinc/36/81/62/144368162.db2.gz RSABWQGEHGVJHK-HNNXBMFYSA-N 2 2 267.417 0.879 20 0 CCADLP C(CN1CC[N@@H+]2CCOC[C@@H]2C1)C[NH+]1CCCCC1 ZINC000372464829 144368163 /nfs/dbraw/zinc/36/81/63/144368163.db2.gz RSABWQGEHGVJHK-HNNXBMFYSA-N 2 2 267.417 0.879 20 0 CCADLP C(CN1CC[N@H+]2CCOC[C@@H]2C1)C[NH+]1CCCCC1 ZINC000372464829 144368164 /nfs/dbraw/zinc/36/81/64/144368164.db2.gz RSABWQGEHGVJHK-HNNXBMFYSA-N 2 2 267.417 0.879 20 0 CCADLP C[NH+](C)CC(C)(C)CNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000373163048 144395055 /nfs/dbraw/zinc/39/50/55/144395055.db2.gz GDQODZGUCXILHS-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](CC2CCC(=O)CC2)CC1=O ZINC000649684820 397654831 /nfs/dbraw/zinc/65/48/31/397654831.db2.gz DBLVFUBKCQDABQ-UHFFFAOYSA-N 2 2 281.400 0.452 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](CC2CCC(=O)CC2)CC1=O ZINC000649684820 397654835 /nfs/dbraw/zinc/65/48/35/397654835.db2.gz DBLVFUBKCQDABQ-UHFFFAOYSA-N 2 2 281.400 0.452 20 0 CCADLP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+](C)CCC[NH3+] ZINC000649410174 397606023 /nfs/dbraw/zinc/60/60/23/397606023.db2.gz WTMFPBNNSBIVBR-LLVKDONJSA-N 2 2 267.377 0.645 20 0 CCADLP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+](C)CCC[NH3+] ZINC000649410174 397606025 /nfs/dbraw/zinc/60/60/25/397606025.db2.gz WTMFPBNNSBIVBR-LLVKDONJSA-N 2 2 267.377 0.645 20 0 CCADLP C[C@@H]1CC[C@@H](C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)O1 ZINC000649685626 397656078 /nfs/dbraw/zinc/65/60/78/397656078.db2.gz HGICTYULBAYOKU-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@@H]1CC[C@@H](C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)O1 ZINC000649685626 397656080 /nfs/dbraw/zinc/65/60/80/397656080.db2.gz HGICTYULBAYOKU-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@H]1C[N@H+](CC(=O)Nc2cc(C)nn2C)CC[C@@H]1[NH3+] ZINC000649416937 397609279 /nfs/dbraw/zinc/60/92/79/397609279.db2.gz QVUFXFIDKPKPTJ-RYUDHWBXSA-N 2 2 279.388 0.726 20 0 CCADLP CC[C@H]1C[N@@H+](CC(=O)Nc2cc(C)nn2C)CC[C@@H]1[NH3+] ZINC000649416937 397609280 /nfs/dbraw/zinc/60/92/80/397609280.db2.gz QVUFXFIDKPKPTJ-RYUDHWBXSA-N 2 2 279.388 0.726 20 0 CCADLP C[N@@H+]1CCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651265238 397860249 /nfs/dbraw/zinc/86/02/49/397860249.db2.gz LUCUWSUUNZVHNH-GFCCVEGCSA-N 2 2 276.384 0.972 20 0 CCADLP C[N@H+]1CCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651265238 397860251 /nfs/dbraw/zinc/86/02/51/397860251.db2.gz LUCUWSUUNZVHNH-GFCCVEGCSA-N 2 2 276.384 0.972 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCCc1c[nH+]cn1C ZINC000548132964 286009251 /nfs/dbraw/zinc/00/92/51/286009251.db2.gz KNECZLUKEGIQPE-GFCCVEGCSA-N 2 2 280.372 0.047 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000548585921 286050505 /nfs/dbraw/zinc/05/05/05/286050505.db2.gz VXKCTCBNJNHTQG-RYUDHWBXSA-N 2 2 264.373 0.952 20 0 CCADLP C[NH+]1CCN(CCCCNC(=O)NCC[NH+]2CCC2)CC1 ZINC000548818921 286071525 /nfs/dbraw/zinc/07/15/25/286071525.db2.gz FWNVPAVDWCHETC-UHFFFAOYSA-N 2 2 297.447 0.019 20 0 CCADLP CO[C@H]1C[C@@H](CN(C)[C@@H](C)C[NH+]2CCOCC2)[N@H+](C)C1 ZINC000497513231 286093019 /nfs/dbraw/zinc/09/30/19/286093019.db2.gz ZRZWKGJRDIZTQZ-KKUMJFAQSA-N 2 2 285.432 0.358 20 0 CCADLP CO[C@H]1C[C@@H](CN(C)[C@@H](C)C[NH+]2CCOCC2)[N@@H+](C)C1 ZINC000497513231 286093021 /nfs/dbraw/zinc/09/30/21/286093021.db2.gz ZRZWKGJRDIZTQZ-KKUMJFAQSA-N 2 2 285.432 0.358 20 0 CCADLP O[C@H](C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)CC(F)(F)F ZINC000550635386 286110386 /nfs/dbraw/zinc/11/03/86/286110386.db2.gz DXQLRUHUVLGNAW-VIFPVBQESA-N 2 2 278.278 0.845 20 0 CCADLP CN1CCOC[C@@H]1C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000551877395 286131773 /nfs/dbraw/zinc/13/17/73/286131773.db2.gz LDTLZYUDCOYOHN-CYBMUJFWSA-N 2 2 287.323 0.536 20 0 CCADLP Cc1ccc(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)c(C)[nH+]1 ZINC000659099397 413283248 /nfs/dbraw/zinc/28/32/48/413283248.db2.gz CCJZBGBVPMUPJY-UHFFFAOYSA-N 2 2 288.351 0.587 20 0 CCADLP Cc1ccc(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)c(C)[nH+]1 ZINC000659106498 413285367 /nfs/dbraw/zinc/28/53/67/413285367.db2.gz QTURULDSSAFXKI-UHFFFAOYSA-N 2 2 288.351 0.505 20 0 CCADLP COCCCNC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000355332913 292357249 /nfs/dbraw/zinc/35/72/49/292357249.db2.gz LJJFCGBPWVXGHX-LBPRGKRZSA-N 2 2 257.378 0.023 20 0 CCADLP COCCCNC(=O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000355332913 292357250 /nfs/dbraw/zinc/35/72/50/292357250.db2.gz LJJFCGBPWVXGHX-LBPRGKRZSA-N 2 2 257.378 0.023 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000311944052 292361568 /nfs/dbraw/zinc/36/15/68/292361568.db2.gz WQSQNLTWUBLCCR-XQQFMLRXSA-N 2 2 269.389 0.211 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000311944052 292361569 /nfs/dbraw/zinc/36/15/69/292361569.db2.gz WQSQNLTWUBLCCR-XQQFMLRXSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H](CC[NH3+])NC(=O)NCCCNc1cccc[nH+]1 ZINC000417064224 286807674 /nfs/dbraw/zinc/80/76/74/286807674.db2.gz ADEOTRGTIYMADF-NSHDSACASA-N 2 2 265.361 0.920 20 0 CCADLP C[C@@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000423112661 287031205 /nfs/dbraw/zinc/03/12/05/287031205.db2.gz SNYPYOPMXRHXHP-IJLUTSLNSA-N 2 2 295.349 0.980 20 0 CCADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1C[NH2+]CCO1 ZINC000043708439 411627700 /nfs/dbraw/zinc/62/77/00/411627700.db2.gz MBAWKGADMSGQER-ZDUSSCGKSA-N 2 2 290.367 0.155 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2CCC[C@@H]2C1 ZINC000311139990 411750361 /nfs/dbraw/zinc/75/03/61/411750361.db2.gz KYZQLOOXHXMJSL-HZSPNIEDSA-N 2 2 256.390 0.657 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2CCC[C@@H]2C1 ZINC000311139990 411750364 /nfs/dbraw/zinc/75/03/64/411750364.db2.gz KYZQLOOXHXMJSL-HZSPNIEDSA-N 2 2 256.390 0.657 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000311139990 411750368 /nfs/dbraw/zinc/75/03/68/411750368.db2.gz KYZQLOOXHXMJSL-HZSPNIEDSA-N 2 2 256.390 0.657 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000311139990 411750369 /nfs/dbraw/zinc/75/03/69/411750369.db2.gz KYZQLOOXHXMJSL-HZSPNIEDSA-N 2 2 256.390 0.657 20 0 CCADLP CC[C@@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000130377782 411721365 /nfs/dbraw/zinc/72/13/65/411721365.db2.gz BIHKCWUQDJZILM-NWDGAFQWSA-N 2 2 255.362 0.047 20 0 CCADLP CCO[C@@H]1C[N@H+](CCOCC(F)(F)F)C[C@H]1C[NH3+] ZINC000405259168 411798939 /nfs/dbraw/zinc/79/89/39/411798939.db2.gz OVTGQPYGPHXIHJ-NXEZZACHSA-N 2 2 270.295 0.861 20 0 CCADLP CCO[C@@H]1C[N@@H+](CCOCC(F)(F)F)C[C@H]1C[NH3+] ZINC000405259168 411798941 /nfs/dbraw/zinc/79/89/41/411798941.db2.gz OVTGQPYGPHXIHJ-NXEZZACHSA-N 2 2 270.295 0.861 20 0 CCADLP CCO[C@@H]1C[N@H+](CC(=O)N[C@H]2CCCC[C@H]2C)C[C@H]1C[NH3+] ZINC000405605209 411804038 /nfs/dbraw/zinc/80/40/38/411804038.db2.gz QQTBNXNWFNSAJL-APIJFGDWSA-N 2 2 297.443 0.977 20 0 CCADLP CCO[C@@H]1C[N@@H+](CC(=O)N[C@H]2CCCC[C@H]2C)C[C@H]1C[NH3+] ZINC000405605209 411804043 /nfs/dbraw/zinc/80/40/43/411804043.db2.gz QQTBNXNWFNSAJL-APIJFGDWSA-N 2 2 297.443 0.977 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407425844 411808585 /nfs/dbraw/zinc/80/85/85/411808585.db2.gz KFSUGYREESVQIR-QWHCGFSZSA-N 2 2 262.357 0.920 20 0 CCADLP CCc1nc(N2CCN(CC[NH+](C)C)C(=O)C2)cc(C)[nH+]1 ZINC000651383372 411858485 /nfs/dbraw/zinc/85/84/85/411858485.db2.gz WMLZGGOEAVMVBS-UHFFFAOYSA-N 2 2 291.399 0.558 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(-c2nncnn2)cc1 ZINC000652033306 411979317 /nfs/dbraw/zinc/97/93/17/411979317.db2.gz ONJNAGBOEMKAHQ-FZMZJTMJSA-N 2 2 284.367 0.973 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(-c2nncnn2)cc1 ZINC000652033306 411979322 /nfs/dbraw/zinc/97/93/22/411979322.db2.gz ONJNAGBOEMKAHQ-FZMZJTMJSA-N 2 2 284.367 0.973 20 0 CCADLP CC(C)(CNC(=O)NCCC1(C[NH3+])CC1)[NH+]1CCOCC1 ZINC000652119094 411990463 /nfs/dbraw/zinc/99/04/63/411990463.db2.gz LGXKQHBJCLYHCT-UHFFFAOYSA-N 2 2 298.431 0.525 20 0 CCADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000652335796 412030328 /nfs/dbraw/zinc/03/03/28/412030328.db2.gz HHAYXKMACZELLZ-NSHDSACASA-N 2 2 297.424 0.906 20 0 CCADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000652335796 412030329 /nfs/dbraw/zinc/03/03/29/412030329.db2.gz HHAYXKMACZELLZ-NSHDSACASA-N 2 2 297.424 0.906 20 0 CCADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cc(=O)n3[nH]ccc3n1)C2 ZINC000652351984 412033910 /nfs/dbraw/zinc/03/39/10/412033910.db2.gz QQWWFUGHTSNVCD-NHYWBVRUSA-N 2 2 287.367 0.583 20 0 CCADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cc(=O)n3[nH]ccc3n1)C2 ZINC000652351984 412033912 /nfs/dbraw/zinc/03/39/12/412033912.db2.gz QQWWFUGHTSNVCD-NHYWBVRUSA-N 2 2 287.367 0.583 20 0 CCADLP C[C@@H]1CCC[N@H+](Cc2nnc3n2CCOC3)[C@H]1CC[NH3+] ZINC000652356213 412035328 /nfs/dbraw/zinc/03/53/28/412035328.db2.gz WQWUMEPZAHHDBQ-NEPJUHHUSA-N 2 2 279.388 0.758 20 0 CCADLP C[C@@H]1CCC[N@@H+](Cc2nnc3n2CCOC3)[C@H]1CC[NH3+] ZINC000652356213 412035330 /nfs/dbraw/zinc/03/53/30/412035330.db2.gz WQWUMEPZAHHDBQ-NEPJUHHUSA-N 2 2 279.388 0.758 20 0 CCADLP CC(C)C[C@H]1COCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653089218 412214596 /nfs/dbraw/zinc/21/45/96/412214596.db2.gz AUQLBOBSVCMNOF-QWHCGFSZSA-N 2 2 271.405 0.539 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000653048924 412200871 /nfs/dbraw/zinc/20/08/71/412200871.db2.gz GCWOUQKESQFXMY-QWHCGFSZSA-N 3 2 264.373 0.082 20 0 CCADLP COc1ccccc1CCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653060030 412205898 /nfs/dbraw/zinc/20/58/98/412205898.db2.gz VZCHHMUNFOOAJV-CYBMUJFWSA-N 2 2 279.384 0.633 20 0 CCADLP C[C@@H](O)CN(Cc1ccccc1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653074013 412209581 /nfs/dbraw/zinc/20/95/81/412209581.db2.gz WJFAYUAUNZLUQT-HIFRSBDPSA-N 2 2 293.411 0.675 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cccc2c1OCCO2 ZINC000653075317 412209842 /nfs/dbraw/zinc/20/98/42/412209842.db2.gz MYOIHLOBOQPRHU-SNVBAGLBSA-N 2 2 279.340 0.675 20 0 CCADLP COc1cc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)ccc1C ZINC000653078062 412209935 /nfs/dbraw/zinc/20/99/35/412209935.db2.gz TYFJMFGZOSZTTE-ZDUSSCGKSA-N 2 2 279.384 0.899 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C[C@H](C)O1 ZINC000653079041 412210507 /nfs/dbraw/zinc/21/05/07/412210507.db2.gz REDIMBMONTXHSD-QJPTWQEYSA-N 2 2 257.378 0.291 20 0 CCADLP C[C@H](COCC(F)(F)F)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653081114 412211884 /nfs/dbraw/zinc/21/18/84/412211884.db2.gz CECVFIVYNPBDLD-RKDXNWHRSA-N 2 2 285.310 0.349 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)CCc2c[nH+]c[nH]2)C(C)(C)C1 ZINC000652926792 412167050 /nfs/dbraw/zinc/16/70/50/412167050.db2.gz NGHJRVOVZWJUDO-UHFFFAOYSA-N 2 2 294.399 0.912 20 0 CCADLP COCC[N@H+]1CCN(C(=O)CCc2c[nH+]c[nH]2)C(C)(C)C1 ZINC000652926792 412167052 /nfs/dbraw/zinc/16/70/52/412167052.db2.gz NGHJRVOVZWJUDO-UHFFFAOYSA-N 2 2 294.399 0.912 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)CCc2c[nH]c[nH+]2)C(C)(C)C1 ZINC000652926792 412167056 /nfs/dbraw/zinc/16/70/56/412167056.db2.gz NGHJRVOVZWJUDO-UHFFFAOYSA-N 2 2 294.399 0.912 20 0 CCADLP COCC[N@H+]1CCN(C(=O)CCc2c[nH]c[nH+]2)C(C)(C)C1 ZINC000652926792 412167060 /nfs/dbraw/zinc/16/70/60/412167060.db2.gz NGHJRVOVZWJUDO-UHFFFAOYSA-N 2 2 294.399 0.912 20 0 CCADLP Cc1ccc(CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653091760 412216258 /nfs/dbraw/zinc/21/62/58/412216258.db2.gz HMQTYMVFKBZLOW-AWEZNQCLSA-N 2 2 263.385 0.933 20 0 CCADLP CO[C@]1(C)C[C@H](N(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1(C)C ZINC000653101731 412218338 /nfs/dbraw/zinc/21/83/38/412218338.db2.gz DZNVQWPCIVXIOK-SLEUVZQESA-N 2 2 285.432 0.927 20 0 CCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653108178 412221765 /nfs/dbraw/zinc/22/17/65/412221765.db2.gz LVCPBYXOZCKWDY-CHWSQXEVSA-N 3 2 270.421 0.208 20 0 CCADLP CN(C)c1ccccc1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653107875 412222504 /nfs/dbraw/zinc/22/25/04/412222504.db2.gz AJTCAKOPARYBEG-NSHDSACASA-N 2 2 264.373 0.970 20 0 CCADLP CCC[NH+]1CCC(N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653112065 412223618 /nfs/dbraw/zinc/22/36/18/412223618.db2.gz KUHFJQGOAIOJOV-CQSZACIVSA-N 3 2 284.448 0.598 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653111592 412223732 /nfs/dbraw/zinc/22/37/32/412223732.db2.gz UGBAXYWSONOUBZ-RYUDHWBXSA-N 2 2 250.346 0.778 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000653111992 412223940 /nfs/dbraw/zinc/22/39/40/412223940.db2.gz IKPHZGOYNAAPOC-AWEZNQCLSA-N 3 2 298.475 0.846 20 0 CCADLP CCC[NH+]1CCC(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653112390 412224137 /nfs/dbraw/zinc/22/41/37/412224137.db2.gz XNCACJRNRVDJAD-AWEZNQCLSA-N 3 2 284.448 0.504 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CCO1 ZINC000653114808 412225357 /nfs/dbraw/zinc/22/53/57/412225357.db2.gz XIQRVJLOBRHHKN-KWCYVHTRSA-N 2 2 281.400 0.354 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CCO1 ZINC000653114808 412225362 /nfs/dbraw/zinc/22/53/62/412225362.db2.gz XIQRVJLOBRHHKN-KWCYVHTRSA-N 2 2 281.400 0.354 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000653114523 412225422 /nfs/dbraw/zinc/22/54/22/412225422.db2.gz LRGIIFXMJCFOJL-HNNXBMFYSA-N 3 2 296.459 0.742 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000653114523 412225427 /nfs/dbraw/zinc/22/54/27/412225427.db2.gz LRGIIFXMJCFOJL-HNNXBMFYSA-N 3 2 296.459 0.742 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000653114108 412226324 /nfs/dbraw/zinc/22/63/24/412226324.db2.gz YJUCYDQNVAQINQ-UONOGXRCSA-N 3 2 282.432 0.352 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000653113647 412226462 /nfs/dbraw/zinc/22/64/62/412226462.db2.gz KATYXTZHLBWBIZ-ZJUUUORDSA-N 2 2 296.337 0.018 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N(CCC[NH3+])CC1CCCC1 ZINC000653140267 412239995 /nfs/dbraw/zinc/23/99/95/412239995.db2.gz SJGHJKHTXKWWCQ-AWEZNQCLSA-N 3 2 284.448 0.633 20 0 CCADLP Cc1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c(O)c1 ZINC000653148009 412241447 /nfs/dbraw/zinc/24/14/47/412241447.db2.gz KJNRFBHWLOYUKX-JTQLQIEISA-N 2 2 251.330 0.918 20 0 CCADLP COCCN(Cc1cccnc1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653149775 412242058 /nfs/dbraw/zinc/24/20/58/412242058.db2.gz FHCNIVUUFIEHRR-AWEZNQCLSA-N 2 2 294.399 0.336 20 0 CCADLP CO[C@@H]1CCC[C@H]1CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653149071 412242132 /nfs/dbraw/zinc/24/21/32/412242132.db2.gz VPYAYTHSJPTPEK-QJPTWQEYSA-N 2 2 257.378 0.197 20 0 CCADLP CN(CCc1ccccn1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653148650 412242529 /nfs/dbraw/zinc/24/25/29/412242529.db2.gz GWUFQKBBLQWKSZ-CYBMUJFWSA-N 2 2 264.373 0.362 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCC[C@@H]1CCCC[C@H]1O ZINC000653150649 412242790 /nfs/dbraw/zinc/24/27/90/412242790.db2.gz JBLOFDJVFUZSCF-MELADBBJSA-N 2 2 285.432 0.713 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCc2cccc(F)c2C1 ZINC000653150634 412243584 /nfs/dbraw/zinc/24/35/84/412243584.db2.gz IJBASPSTYGEWGN-AWEZNQCLSA-N 2 2 279.359 0.989 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCc2ccsc2C1 ZINC000653150921 412243761 /nfs/dbraw/zinc/24/37/61/412243761.db2.gz RYAYBWWEOMTHSA-NSHDSACASA-N 2 2 267.398 0.912 20 0 CCADLP [NH3+]CC(F)(F)CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000653152178 412245436 /nfs/dbraw/zinc/24/54/36/412245436.db2.gz DHYKJYNSYKJOLU-SNVBAGLBSA-N 2 2 284.310 0.761 20 0 CCADLP Cc1ccsc1CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653159296 412246729 /nfs/dbraw/zinc/24/67/29/412246729.db2.gz ZUQWWALWCCEKOY-NSHDSACASA-N 2 2 269.414 0.994 20 0 CCADLP CCCN1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C(C)(C)C1=O ZINC000653159376 412246891 /nfs/dbraw/zinc/24/68/91/412246891.db2.gz AMDHMQOGDJOTJZ-GFCCVEGCSA-N 2 2 298.431 0.125 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000653163418 412248496 /nfs/dbraw/zinc/24/84/96/412248496.db2.gz XQTBYYQRMKZZMC-LSDHHAIUSA-N 3 2 290.411 0.439 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000653167067 412249904 /nfs/dbraw/zinc/24/99/04/412249904.db2.gz HJWMGQWWPPGEDL-CABCVRRESA-N 3 2 290.411 0.350 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C(F)F)C1 ZINC000653593578 412323336 /nfs/dbraw/zinc/32/33/36/412323336.db2.gz GKKLLNHQHYXPSQ-GHMZBOCLSA-N 2 2 266.332 0.513 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C(F)F)C1 ZINC000653593578 412323339 /nfs/dbraw/zinc/32/33/39/412323339.db2.gz GKKLLNHQHYXPSQ-GHMZBOCLSA-N 2 2 266.332 0.513 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000653593578 412323341 /nfs/dbraw/zinc/32/33/41/412323341.db2.gz GKKLLNHQHYXPSQ-GHMZBOCLSA-N 2 2 266.332 0.513 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000653593578 412323343 /nfs/dbraw/zinc/32/33/43/412323343.db2.gz GKKLLNHQHYXPSQ-GHMZBOCLSA-N 2 2 266.332 0.513 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@@H](F)C1 ZINC000653609331 412323599 /nfs/dbraw/zinc/32/35/99/412323599.db2.gz IADUCAVDYLCZMH-AGIUHOORSA-N 2 2 262.369 0.605 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@@H](F)C1 ZINC000653609331 412323602 /nfs/dbraw/zinc/32/36/02/412323602.db2.gz IADUCAVDYLCZMH-AGIUHOORSA-N 2 2 262.369 0.605 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000653609331 412323605 /nfs/dbraw/zinc/32/36/05/412323605.db2.gz IADUCAVDYLCZMH-AGIUHOORSA-N 2 2 262.369 0.605 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000653609331 412323607 /nfs/dbraw/zinc/32/36/07/412323607.db2.gz IADUCAVDYLCZMH-AGIUHOORSA-N 2 2 262.369 0.605 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000653727407 412339463 /nfs/dbraw/zinc/33/94/63/412339463.db2.gz ZRGUONJNNDBUTP-UHFFFAOYSA-N 3 2 280.416 0.788 20 0 CCADLP C[C@@H]1CN(CCCc2c[nH+]cn2C)C[C@H](C)[N@H+]1CCO ZINC000653744713 412341336 /nfs/dbraw/zinc/34/13/36/412341336.db2.gz NCTYTAIOYFMSCX-OKILXGFUSA-N 2 2 280.416 0.740 20 0 CCADLP C[C@@H]1CN(CCCc2c[nH+]cn2C)C[C@H](C)[N@@H+]1CCO ZINC000653744713 412341341 /nfs/dbraw/zinc/34/13/41/412341341.db2.gz NCTYTAIOYFMSCX-OKILXGFUSA-N 2 2 280.416 0.740 20 0 CCADLP C[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)C[C@H](C)N1CCO ZINC000653744713 412341346 /nfs/dbraw/zinc/34/13/46/412341346.db2.gz NCTYTAIOYFMSCX-OKILXGFUSA-N 2 2 280.416 0.740 20 0 CCADLP C[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)C[C@H](C)N1CCO ZINC000653744713 412341348 /nfs/dbraw/zinc/34/13/48/412341348.db2.gz NCTYTAIOYFMSCX-OKILXGFUSA-N 2 2 280.416 0.740 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2C)C[C@H](C)[N@H+]1CCO ZINC000653889468 412359963 /nfs/dbraw/zinc/35/99/63/412359963.db2.gz HLKBYLZEBJBPGB-HZSPNIEDSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2C)C[C@H](C)[N@@H+]1CCO ZINC000653889468 412359965 /nfs/dbraw/zinc/35/99/65/412359965.db2.gz HLKBYLZEBJBPGB-HZSPNIEDSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H](C)[NH+]1CCO ZINC000653889468 412359969 /nfs/dbraw/zinc/35/99/69/412359969.db2.gz HLKBYLZEBJBPGB-HZSPNIEDSA-N 2 2 283.416 0.384 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cccc(-c2c[nH]nn2)c1 ZINC000653347658 412292787 /nfs/dbraw/zinc/29/27/87/412292787.db2.gz KASVTKJXTBTNNM-LBPRGKRZSA-N 2 2 288.355 0.689 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC(C)(C)C2)C1 ZINC000654758950 412435505 /nfs/dbraw/zinc/43/55/05/412435505.db2.gz XOKDXMNHAQPDJN-LBPRGKRZSA-N 2 2 269.389 0.165 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC(C)(C)C2)C1 ZINC000654758950 412435506 /nfs/dbraw/zinc/43/55/06/412435506.db2.gz XOKDXMNHAQPDJN-LBPRGKRZSA-N 2 2 269.389 0.165 20 0 CCADLP COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000654749898 412435744 /nfs/dbraw/zinc/43/57/44/412435744.db2.gz WBIXDKVLZDPLDC-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000654749898 412435747 /nfs/dbraw/zinc/43/57/47/412435747.db2.gz WBIXDKVLZDPLDC-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000654749898 412435750 /nfs/dbraw/zinc/43/57/50/412435750.db2.gz WBIXDKVLZDPLDC-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000654749898 412435751 /nfs/dbraw/zinc/43/57/51/412435751.db2.gz WBIXDKVLZDPLDC-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H](CNC(=O)NCC[NH+]1CCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654651887 412423826 /nfs/dbraw/zinc/42/38/26/412423826.db2.gz JMPDGSZXSCWAPK-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](CNC(=O)NCC[NH+]1CCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654651887 412423829 /nfs/dbraw/zinc/42/38/29/412423829.db2.gz JMPDGSZXSCWAPK-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP C[NH+](C)CCn1cc(NC(=O)C[NH+]2CC(C)(C)C2)cn1 ZINC000654671542 412426183 /nfs/dbraw/zinc/42/61/83/412426183.db2.gz LWIPJDUITUHWNB-UHFFFAOYSA-N 2 2 279.388 0.725 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000654890433 412448234 /nfs/dbraw/zinc/44/82/34/412448234.db2.gz VZSXGOXNLWELKF-KBPBESRZSA-N 2 2 281.400 0.261 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000654890433 412448235 /nfs/dbraw/zinc/44/82/35/412448235.db2.gz VZSXGOXNLWELKF-KBPBESRZSA-N 2 2 281.400 0.261 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000654967493 412454754 /nfs/dbraw/zinc/45/47/54/412454754.db2.gz XTZOBJJVNLTIRE-LBPRGKRZSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000654967493 412454757 /nfs/dbraw/zinc/45/47/57/412454757.db2.gz XTZOBJJVNLTIRE-LBPRGKRZSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000655070963 412473614 /nfs/dbraw/zinc/47/36/14/412473614.db2.gz POGKZWLLTXSKSW-VXGBXAGGSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000655070963 412473617 /nfs/dbraw/zinc/47/36/17/412473617.db2.gz POGKZWLLTXSKSW-VXGBXAGGSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659437570 413496208 /nfs/dbraw/zinc/49/62/08/413496208.db2.gz NQVIJGFNANYJSO-XSRFYTQQSA-N 2 2 263.345 0.323 20 0 CCADLP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000659437254 413498564 /nfs/dbraw/zinc/49/85/64/413498564.db2.gz GFDKSWCPNVDWBJ-VXGBXAGGSA-N 2 2 267.377 0.944 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC1([NH3+])CCCC1 ZINC000659436752 413498838 /nfs/dbraw/zinc/49/88/38/413498838.db2.gz XHWPNNOZKBQPEU-GFCCVEGCSA-N 2 2 284.404 0.278 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)N2CC3CC2(C[NH3+])C3)CCO1 ZINC000659448490 413505060 /nfs/dbraw/zinc/50/50/60/413505060.db2.gz WBSGBQWFEMHMPB-UHFFFAOYSA-N 2 2 296.415 0.230 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)N2CC3CC2(C[NH3+])C3)CCO1 ZINC000659448490 413505066 /nfs/dbraw/zinc/50/50/66/413505066.db2.gz WBSGBQWFEMHMPB-UHFFFAOYSA-N 2 2 296.415 0.230 20 0 CCADLP [NH3+][C@@H]1CN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC[C@H]1F ZINC000659484219 413540395 /nfs/dbraw/zinc/54/03/95/413540395.db2.gz QCFIZNWVWLUGRF-GMTAPVOTSA-N 2 2 281.335 0.279 20 0 CCADLP CC[NH2+]CCCNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000659505533 413564169 /nfs/dbraw/zinc/56/41/69/413564169.db2.gz PLSKFWTVOUHFQG-SNVBAGLBSA-N 2 2 253.350 0.780 20 0 CCADLP C[C@H](NC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)c1[nH+]ccn1C ZINC000659553165 413642952 /nfs/dbraw/zinc/64/29/52/413642952.db2.gz HKMXPVFCAPCPJU-HBNTYKKESA-N 2 2 265.361 0.908 20 0 CCADLP C[C@@H](NC(=O)NC[C@H]1C[NH2+]CCCO1)c1[nH+]ccn1C ZINC000659552187 413645211 /nfs/dbraw/zinc/64/52/11/413645211.db2.gz ZUDFKFJJUGQYKX-GHMZBOCLSA-N 2 2 281.360 0.159 20 0 CCADLP [NH3+]CC1(CCNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000659559191 413654278 /nfs/dbraw/zinc/65/42/78/413654278.db2.gz KIWAIESTEXQAIK-ZDUSSCGKSA-N 2 2 296.415 0.232 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NCCC1CC[NH2+]CC1 ZINC000659560323 413654807 /nfs/dbraw/zinc/65/48/07/413654807.db2.gz LODHFFAFHZSGQV-UHFFFAOYSA-N 2 2 265.361 0.941 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)NCCC1CC[NH2+]CC1 ZINC000659560323 413654817 /nfs/dbraw/zinc/65/48/17/413654817.db2.gz LODHFFAFHZSGQV-UHFFFAOYSA-N 2 2 265.361 0.941 20 0 CCADLP [NH3+]CC1(CCNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000659559190 413656352 /nfs/dbraw/zinc/65/63/52/413656352.db2.gz KIWAIESTEXQAIK-CYBMUJFWSA-N 2 2 296.415 0.232 20 0 CCADLP C[NH2+][C@H]1CCN(C(=O)N[C@@H](C)c2[nH+]ccn2C)C1 ZINC000659629426 413726439 /nfs/dbraw/zinc/72/64/39/413726439.db2.gz WOYGXTDIRLXTQI-UWVGGRQHSA-N 2 2 251.334 0.484 20 0 CCADLP CCN1OC[C@@H]([N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1=O ZINC000659883204 413937587 /nfs/dbraw/zinc/93/75/87/413937587.db2.gz QWFOTDGIYGVUPT-NWDGAFQWSA-N 2 2 264.329 0.682 20 0 CCADLP CCN1OC[C@@H]([N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1=O ZINC000659883204 413937595 /nfs/dbraw/zinc/93/75/95/413937595.db2.gz QWFOTDGIYGVUPT-NWDGAFQWSA-N 2 2 264.329 0.682 20 0 CCADLP Cn1c[nH+]c(CN2CCC([N@H+](C)CCCO)CC2)c1 ZINC000659931838 413979070 /nfs/dbraw/zinc/97/90/70/413979070.db2.gz UINVBFUDSBYTGI-UHFFFAOYSA-N 2 2 266.389 0.699 20 0 CCADLP Cn1c[nH+]c(CN2CCC([N@@H+](C)CCCO)CC2)c1 ZINC000659931838 413979083 /nfs/dbraw/zinc/97/90/83/413979083.db2.gz UINVBFUDSBYTGI-UHFFFAOYSA-N 2 2 266.389 0.699 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[NH+]([C@@H]3CCOC3)CC2)C[C@@H](C)O1 ZINC000660125345 414134933 /nfs/dbraw/zinc/13/49/33/414134933.db2.gz HACZYSKLISTRFS-BZUAXINKSA-N 2 2 297.443 0.502 20 0 CCADLP Cn1c[nH+]c(CN2CC[NH+](C(C)(C)CO)CC2)c1 ZINC000660074129 414088834 /nfs/dbraw/zinc/08/88/34/414088834.db2.gz KJOXDJZCDSXRBD-UHFFFAOYSA-N 2 2 252.362 0.309 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000660099156 414113287 /nfs/dbraw/zinc/11/32/87/414113287.db2.gz FGRPGIASCYIFHN-NSHDSACASA-N 2 2 288.417 0.742 20 0 CCADLP COC[C@H](C[NH+]1CCN(c2[nH+]ccn2C)CC1)OC ZINC000660111963 414121087 /nfs/dbraw/zinc/12/10/87/414121087.db2.gz JOGKAUQSHDLQEX-LBPRGKRZSA-N 2 2 268.361 0.204 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000660279796 414224366 /nfs/dbraw/zinc/22/43/66/414224366.db2.gz FFHZWXVIPNVJEW-KBPBESRZSA-N 2 2 298.431 0.223 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000660279796 414224372 /nfs/dbraw/zinc/22/43/72/414224372.db2.gz FFHZWXVIPNVJEW-KBPBESRZSA-N 2 2 298.431 0.223 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000660279796 414224381 /nfs/dbraw/zinc/22/43/81/414224381.db2.gz FFHZWXVIPNVJEW-KBPBESRZSA-N 2 2 298.431 0.223 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000660279796 414224384 /nfs/dbraw/zinc/22/43/84/414224384.db2.gz FFHZWXVIPNVJEW-KBPBESRZSA-N 2 2 298.431 0.223 20 0 CCADLP C[C@@H]1C[N@H+](Cc2cn(C)cn2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000660158350 414170223 /nfs/dbraw/zinc/17/02/23/414170223.db2.gz XIYUQWUXDHXYIK-ZBFHGGJFSA-N 2 2 291.443 0.878 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2cn(C)cn2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000660158350 414170229 /nfs/dbraw/zinc/17/02/29/414170229.db2.gz XIYUQWUXDHXYIK-ZBFHGGJFSA-N 2 2 291.443 0.878 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCOCC2(CC2)C1 ZINC000660241613 414208925 /nfs/dbraw/zinc/20/89/25/414208925.db2.gz FPTFJMBZNXRRQS-ZDUSSCGKSA-N 2 2 256.390 0.800 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCOCC2(CC2)C1 ZINC000660241613 414208930 /nfs/dbraw/zinc/20/89/30/414208930.db2.gz FPTFJMBZNXRRQS-ZDUSSCGKSA-N 2 2 256.390 0.800 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCOCC2(CC2)C1 ZINC000660241613 414208936 /nfs/dbraw/zinc/20/89/36/414208936.db2.gz FPTFJMBZNXRRQS-ZDUSSCGKSA-N 2 2 256.390 0.800 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCOCC2(CC2)C1 ZINC000660241613 414208941 /nfs/dbraw/zinc/20/89/41/414208941.db2.gz FPTFJMBZNXRRQS-ZDUSSCGKSA-N 2 2 256.390 0.800 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[N@H+](CCO)[C@H](C)C2)C[C@@H](C)O1 ZINC000660332490 414252455 /nfs/dbraw/zinc/25/24/55/414252455.db2.gz PCXVTLRJKIKLQA-RBSFLKMASA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[N@@H+](CCO)[C@H](C)C2)C[C@@H](C)O1 ZINC000660332490 414252464 /nfs/dbraw/zinc/25/24/64/414252464.db2.gz PCXVTLRJKIKLQA-RBSFLKMASA-N 2 2 285.432 0.094 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000660389479 414287734 /nfs/dbraw/zinc/28/77/34/414287734.db2.gz LTHHMDZSLZQQBO-XDQVBPFNSA-N 2 2 283.416 0.273 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000660389479 414287741 /nfs/dbraw/zinc/28/77/41/414287741.db2.gz LTHHMDZSLZQQBO-XDQVBPFNSA-N 2 2 283.416 0.273 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000660389479 414287745 /nfs/dbraw/zinc/28/77/45/414287745.db2.gz LTHHMDZSLZQQBO-XDQVBPFNSA-N 2 2 283.416 0.273 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000660389479 414287754 /nfs/dbraw/zinc/28/77/54/414287754.db2.gz LTHHMDZSLZQQBO-XDQVBPFNSA-N 2 2 283.416 0.273 20 0 CCADLP OC1(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CCOCC1 ZINC000660472950 414342635 /nfs/dbraw/zinc/34/26/35/414342635.db2.gz CIDFRKQYQULOCE-HNNXBMFYSA-N 2 2 298.427 0.715 20 0 CCADLP OC1(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CCOCC1 ZINC000660472950 414342644 /nfs/dbraw/zinc/34/26/44/414342644.db2.gz CIDFRKQYQULOCE-HNNXBMFYSA-N 2 2 298.427 0.715 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000660476521 414349855 /nfs/dbraw/zinc/34/98/55/414349855.db2.gz ZJQAAPPGOYGIRP-CVEARBPZSA-N 2 2 299.459 0.486 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000660476521 414349864 /nfs/dbraw/zinc/34/98/64/414349864.db2.gz ZJQAAPPGOYGIRP-CVEARBPZSA-N 2 2 299.459 0.486 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000660476521 414349871 /nfs/dbraw/zinc/34/98/71/414349871.db2.gz ZJQAAPPGOYGIRP-CVEARBPZSA-N 2 2 299.459 0.486 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000660476521 414349880 /nfs/dbraw/zinc/34/98/80/414349880.db2.gz ZJQAAPPGOYGIRP-CVEARBPZSA-N 2 2 299.459 0.486 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660476521 414349886 /nfs/dbraw/zinc/34/98/86/414349886.db2.gz ZJQAAPPGOYGIRP-CVEARBPZSA-N 3 2 299.459 0.486 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660476521 414349888 /nfs/dbraw/zinc/34/98/88/414349888.db2.gz ZJQAAPPGOYGIRP-CVEARBPZSA-N 3 2 299.459 0.486 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660476521 414349894 /nfs/dbraw/zinc/34/98/94/414349894.db2.gz ZJQAAPPGOYGIRP-CVEARBPZSA-N 3 2 299.459 0.486 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660476521 414349899 /nfs/dbraw/zinc/34/98/99/414349899.db2.gz ZJQAAPPGOYGIRP-CVEARBPZSA-N 3 2 299.459 0.486 20 0 CCADLP CN1CCC[C@H]([N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1=O ZINC000660477495 414349991 /nfs/dbraw/zinc/34/99/91/414349991.db2.gz HORLDXJKWQYKBY-GJZGRUSLSA-N 2 2 295.427 0.794 20 0 CCADLP CN1CCC[C@H]([N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)C1=O ZINC000660477495 414349999 /nfs/dbraw/zinc/34/99/99/414349999.db2.gz HORLDXJKWQYKBY-GJZGRUSLSA-N 2 2 295.427 0.794 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)CN1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000660536205 414382970 /nfs/dbraw/zinc/38/29/70/414382970.db2.gz FHTDDKICHUWELI-JYJNAYRXSA-N 2 2 299.459 0.483 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)CN1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000660536205 414382974 /nfs/dbraw/zinc/38/29/74/414382974.db2.gz FHTDDKICHUWELI-JYJNAYRXSA-N 2 2 299.459 0.483 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000660536205 414382976 /nfs/dbraw/zinc/38/29/76/414382976.db2.gz FHTDDKICHUWELI-JYJNAYRXSA-N 2 2 299.459 0.483 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000660536205 414382978 /nfs/dbraw/zinc/38/29/78/414382978.db2.gz FHTDDKICHUWELI-JYJNAYRXSA-N 2 2 299.459 0.483 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000660536205 414382983 /nfs/dbraw/zinc/38/29/83/414382983.db2.gz FHTDDKICHUWELI-JYJNAYRXSA-N 2 2 299.459 0.483 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000660536205 414382984 /nfs/dbraw/zinc/38/29/84/414382984.db2.gz FHTDDKICHUWELI-JYJNAYRXSA-N 2 2 299.459 0.483 20 0 CCADLP CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660664033 414434484 /nfs/dbraw/zinc/43/44/84/414434484.db2.gz PJHILYVDDXBYES-ZDUSSCGKSA-N 2 2 289.445 0.296 20 0 CCADLP CN(C)S(=O)(=O)CC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660664033 414434490 /nfs/dbraw/zinc/43/44/90/414434490.db2.gz PJHILYVDDXBYES-ZDUSSCGKSA-N 2 2 289.445 0.296 20 0 CCADLP CN(C)S(=O)(=O)CC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660664033 414434495 /nfs/dbraw/zinc/43/44/95/414434495.db2.gz PJHILYVDDXBYES-ZDUSSCGKSA-N 2 2 289.445 0.296 20 0 CCADLP CN(C)S(=O)(=O)CC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660664033 414434502 /nfs/dbraw/zinc/43/45/02/414434502.db2.gz PJHILYVDDXBYES-ZDUSSCGKSA-N 2 2 289.445 0.296 20 0 CCADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)NCC1CC1)C2 ZINC000660656518 414435090 /nfs/dbraw/zinc/43/50/90/414435090.db2.gz VBFVOMSOKLUHAQ-OAHLLOKOSA-N 2 2 265.401 0.930 20 0 CCADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)NCC1CC1)C2 ZINC000660656518 414435098 /nfs/dbraw/zinc/43/50/98/414435098.db2.gz VBFVOMSOKLUHAQ-OAHLLOKOSA-N 2 2 265.401 0.930 20 0 CCADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC(=O)NCC1CC1)C2 ZINC000660656518 414435100 /nfs/dbraw/zinc/43/51/00/414435100.db2.gz VBFVOMSOKLUHAQ-OAHLLOKOSA-N 2 2 265.401 0.930 20 0 CCADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC(=O)NCC1CC1)C2 ZINC000660656518 414435106 /nfs/dbraw/zinc/43/51/06/414435106.db2.gz VBFVOMSOKLUHAQ-OAHLLOKOSA-N 2 2 265.401 0.930 20 0 CCADLP CC[C@@H](C(N)=O)[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660696071 414446043 /nfs/dbraw/zinc/44/60/43/414446043.db2.gz XYNLJJKLMDQVRQ-LBPRGKRZSA-N 2 2 271.405 0.323 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000660717452 414457474 /nfs/dbraw/zinc/45/74/74/414457474.db2.gz XJFPBPSQEDYUDY-UHFFFAOYSA-N 2 2 298.431 0.300 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000660717452 414457478 /nfs/dbraw/zinc/45/74/78/414457478.db2.gz XJFPBPSQEDYUDY-UHFFFAOYSA-N 2 2 298.431 0.300 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccsc1 ZINC000038031041 174024659 /nfs/dbraw/zinc/02/46/59/174024659.db2.gz WWVLYMCVFRBGJK-UHFFFAOYSA-N 2 2 253.371 0.612 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccsc1 ZINC000038031041 174024660 /nfs/dbraw/zinc/02/46/60/174024660.db2.gz WWVLYMCVFRBGJK-UHFFFAOYSA-N 2 2 253.371 0.612 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000661595716 414646222 /nfs/dbraw/zinc/64/62/22/414646222.db2.gz DQJQJGWYVCQCQU-DGCLKSJQSA-N 2 2 262.357 0.563 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000661595716 414646224 /nfs/dbraw/zinc/64/62/24/414646224.db2.gz DQJQJGWYVCQCQU-DGCLKSJQSA-N 2 2 262.357 0.563 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)CC1=CCCOC1 ZINC000661651566 414659611 /nfs/dbraw/zinc/65/96/11/414659611.db2.gz ATUIAQRCJHERAN-CQSZACIVSA-N 2 2 256.390 0.966 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)CC1=CCCOC1 ZINC000661651566 414659613 /nfs/dbraw/zinc/65/96/13/414659613.db2.gz ATUIAQRCJHERAN-CQSZACIVSA-N 2 2 256.390 0.966 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)CC1=CCCOC1 ZINC000661651566 414659615 /nfs/dbraw/zinc/65/96/15/414659615.db2.gz ATUIAQRCJHERAN-CQSZACIVSA-N 2 2 256.390 0.966 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)CC1=CCCOC1 ZINC000661651566 414659616 /nfs/dbraw/zinc/65/96/16/414659616.db2.gz ATUIAQRCJHERAN-CQSZACIVSA-N 2 2 256.390 0.966 20 0 CCADLP CCCNC(=O)C1([NH2+]C[C@@H]2C[NH2+]CCO2)CCCCC1 ZINC000662258592 414701174 /nfs/dbraw/zinc/70/11/74/414701174.db2.gz KUCCVUGQQJEIJO-ZDUSSCGKSA-N 2 2 283.416 0.794 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000662265988 414703265 /nfs/dbraw/zinc/70/32/65/414703265.db2.gz VFQBVPWMQCVMLT-MCIONIFRSA-N 3 2 253.390 0.439 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000662265988 414703266 /nfs/dbraw/zinc/70/32/66/414703266.db2.gz VFQBVPWMQCVMLT-MCIONIFRSA-N 3 2 253.390 0.439 20 0 CCADLP NS(=O)(=O)c1cc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3[NH3+])co1 ZINC000662266554 414703309 /nfs/dbraw/zinc/70/33/09/414703309.db2.gz NARHIGBEVQDCTF-GRYCIOLGSA-N 2 2 299.396 0.486 20 0 CCADLP NS(=O)(=O)c1cc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3[NH3+])co1 ZINC000662266554 414703310 /nfs/dbraw/zinc/70/33/10/414703310.db2.gz NARHIGBEVQDCTF-GRYCIOLGSA-N 2 2 299.396 0.486 20 0 CCADLP CC(C)(C)n1nnc(CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)n1 ZINC000662272920 414703610 /nfs/dbraw/zinc/70/36/10/414703610.db2.gz KRYSBKIQKMSVGX-RYUDHWBXSA-N 2 2 278.404 0.654 20 0 CCADLP CC(C)(C)n1nnc(CC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)n1 ZINC000662272920 414703611 /nfs/dbraw/zinc/70/36/11/414703611.db2.gz KRYSBKIQKMSVGX-RYUDHWBXSA-N 2 2 278.404 0.654 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000662278816 414705316 /nfs/dbraw/zinc/70/53/16/414705316.db2.gz MFZFPVUDKQGFIP-ZIAGYGMSSA-N 2 2 254.374 0.723 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000662278816 414705317 /nfs/dbraw/zinc/70/53/17/414705317.db2.gz MFZFPVUDKQGFIP-ZIAGYGMSSA-N 2 2 254.374 0.723 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1CC1(C)C ZINC000662343138 414711383 /nfs/dbraw/zinc/71/13/83/414711383.db2.gz HQWIXQMKXXXSHQ-STQMWFEESA-N 2 2 258.406 0.903 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1CC1(C)C ZINC000662343138 414711384 /nfs/dbraw/zinc/71/13/84/414711384.db2.gz HQWIXQMKXXXSHQ-STQMWFEESA-N 2 2 258.406 0.903 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)C[C@@H]1CC1(C)C ZINC000662343138 414711385 /nfs/dbraw/zinc/71/13/85/414711385.db2.gz HQWIXQMKXXXSHQ-STQMWFEESA-N 2 2 258.406 0.903 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@@H]1CC1(C)C ZINC000662343138 414711386 /nfs/dbraw/zinc/71/13/86/414711386.db2.gz HQWIXQMKXXXSHQ-STQMWFEESA-N 2 2 258.406 0.903 20 0 CCADLP Cc1ccc(CC[N@H+](CC[NH3+])C[C@@H](O)CO)cc1 ZINC000662289904 414707205 /nfs/dbraw/zinc/70/72/05/414707205.db2.gz YTUOIHVCEXLDBD-CQSZACIVSA-N 2 2 252.358 0.151 20 0 CCADLP Cc1ccc(CC[N@@H+](CC[NH3+])C[C@@H](O)CO)cc1 ZINC000662289904 414707206 /nfs/dbraw/zinc/70/72/06/414707206.db2.gz YTUOIHVCEXLDBD-CQSZACIVSA-N 2 2 252.358 0.151 20 0 CCADLP CCn1cc[nH+]c1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662152218 414693806 /nfs/dbraw/zinc/69/38/06/414693806.db2.gz ACOIKCDGQSAJEL-AWEZNQCLSA-N 2 2 278.400 0.934 20 0 CCADLP CCn1cc[nH+]c1CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662152218 414693807 /nfs/dbraw/zinc/69/38/07/414693807.db2.gz ACOIKCDGQSAJEL-AWEZNQCLSA-N 2 2 278.400 0.934 20 0 CCADLP C[C@@](O)(C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)C(F)(F)F ZINC000662151469 414693954 /nfs/dbraw/zinc/69/39/54/414693954.db2.gz HSXSCDPVXOLAMG-VXGBXAGGSA-N 2 2 296.333 0.831 20 0 CCADLP C[C@@](O)(C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)C(F)(F)F ZINC000662151469 414693955 /nfs/dbraw/zinc/69/39/55/414693955.db2.gz HSXSCDPVXOLAMG-VXGBXAGGSA-N 2 2 296.333 0.831 20 0 CCADLP CN1CC[N@H+](Cc2cccc3c2CC[NH2+]C3)CC1=O ZINC000662253985 414699805 /nfs/dbraw/zinc/69/98/05/414699805.db2.gz DEZFUVQAUCXOMF-UHFFFAOYSA-N 2 2 259.353 0.606 20 0 CCADLP CN1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)CC1=O ZINC000662253985 414699806 /nfs/dbraw/zinc/69/98/06/414699806.db2.gz DEZFUVQAUCXOMF-UHFFFAOYSA-N 2 2 259.353 0.606 20 0 CCADLP C[NH2+][C@@H](C)C(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000662757171 414766566 /nfs/dbraw/zinc/76/65/66/414766566.db2.gz KTQAFCNNMRUDPG-VHSXEESVSA-N 2 2 250.346 0.938 20 0 CCADLP [NH3+]CCn1cc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)nn1 ZINC000662427579 414717279 /nfs/dbraw/zinc/71/72/79/414717279.db2.gz RFEWPIPKCWVYDO-NSHDSACASA-N 2 2 289.343 0.327 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2cccc(N)c2Cl)[C@H](C[NH3+])C1 ZINC000662428241 414717666 /nfs/dbraw/zinc/71/76/66/414717666.db2.gz HVJKOUGTIVTLLG-LLVKDONJSA-N 2 2 296.802 0.566 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2cccc(N)c2Cl)[C@H](C[NH3+])C1 ZINC000662428241 414717667 /nfs/dbraw/zinc/71/76/67/414717667.db2.gz HVJKOUGTIVTLLG-LLVKDONJSA-N 2 2 296.802 0.566 20 0 CCADLP CC(C)C[C@H](C[NH3+])CC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000662444608 414719234 /nfs/dbraw/zinc/71/92/34/414719234.db2.gz JMCVGSBAURSIPG-KGLIPLIRSA-N 2 2 285.432 0.834 20 0 CCADLP CC(C)C[C@H](C[NH3+])CC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000662444608 414719235 /nfs/dbraw/zinc/71/92/35/414719235.db2.gz JMCVGSBAURSIPG-KGLIPLIRSA-N 2 2 285.432 0.834 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)NCCCNc1cccc[nH+]1 ZINC000662457614 414719931 /nfs/dbraw/zinc/71/99/31/414719931.db2.gz BLFAFVSSFXGVLQ-NSHDSACASA-N 2 2 250.346 0.998 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)CC[NH2+]C1CC1 ZINC000662634391 414735973 /nfs/dbraw/zinc/73/59/73/414735973.db2.gz RPWOQHRZCMBMMW-NEPJUHHUSA-N 2 2 269.389 0.354 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)CC[NH2+]C1CC1 ZINC000662634391 414735974 /nfs/dbraw/zinc/73/59/74/414735974.db2.gz RPWOQHRZCMBMMW-NEPJUHHUSA-N 2 2 269.389 0.354 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]([NH3+])C2CCC2)[C@@H](C)CO1 ZINC000662636483 414736202 /nfs/dbraw/zinc/73/62/02/414736202.db2.gz YUZLIDJXOCGPDX-DMDPSCGWSA-N 2 2 269.389 0.339 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]([NH3+])C2CCC2)[C@@H](C)CO1 ZINC000662636483 414736203 /nfs/dbraw/zinc/73/62/03/414736203.db2.gz YUZLIDJXOCGPDX-DMDPSCGWSA-N 2 2 269.389 0.339 20 0 CCADLP CC1(C)CC[NH2+][C@@H]1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000662665451 414738822 /nfs/dbraw/zinc/73/88/22/414738822.db2.gz KSWGTMKLMQIKDT-UONOGXRCSA-N 2 2 295.427 0.698 20 0 CCADLP CC(C)([NH3+])c1cc(C(=O)NCCn2cc[nH+]c2)on1 ZINC000662664081 414738902 /nfs/dbraw/zinc/73/89/02/414738902.db2.gz NDVKEMYPQWPUOB-UHFFFAOYSA-N 2 2 263.301 0.495 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662678908 414740164 /nfs/dbraw/zinc/74/01/64/414740164.db2.gz JYRJWAFMTLSCJB-NEPJUHHUSA-N 2 2 278.356 0.128 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662682680 414740794 /nfs/dbraw/zinc/74/07/94/414740794.db2.gz NXDXCGXEXDJIIB-GFCCVEGCSA-N 2 2 281.400 0.498 20 0 CCADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662686258 414741044 /nfs/dbraw/zinc/74/10/44/414741044.db2.gz LEDQXAHDLVMTDJ-JOCQHMNTSA-N 2 2 292.383 0.673 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3C[C@H]([NH3+])C3)CC2)CC1 ZINC000662700898 414743316 /nfs/dbraw/zinc/74/33/16/414743316.db2.gz ZKXMZXNTWNKVJE-JOCQHMNTSA-N 3 2 294.443 0.399 20 0 CCADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662703816 414743756 /nfs/dbraw/zinc/74/37/56/414743756.db2.gz OCSJAUDTEPRNSY-HIFRSBDPSA-N 2 2 295.427 0.555 20 0 CCADLP C[C@@H](C[NH3+])C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662704626 414744162 /nfs/dbraw/zinc/74/41/62/414744162.db2.gz JFWOHGMGOMPJTB-LBPRGKRZSA-N 2 2 269.389 0.152 20 0 CCADLP O=C(NCC12CC(C1)C[NH2+]2)C1CC[NH+](CC(F)F)CC1 ZINC000662714565 414745516 /nfs/dbraw/zinc/74/55/16/414745516.db2.gz IHTHJEXRHPMRJQ-UHFFFAOYSA-N 2 2 287.354 0.832 20 0 CCADLP C[C@@H](NC(=O)CC1([NH3+])CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000662721189 414746398 /nfs/dbraw/zinc/74/63/98/414746398.db2.gz RLGQTYWYZMEVMW-GHMZBOCLSA-N 2 2 255.362 0.093 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C2([NH2+]C3CC3)CCC2)[C@@H](C)CO1 ZINC000662857908 414848609 /nfs/dbraw/zinc/84/86/09/414848609.db2.gz CUUXALQHXFJIBG-QWHCGFSZSA-N 2 2 295.427 0.887 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2([NH2+]C3CC3)CCC2)[C@@H](C)CO1 ZINC000662857908 414848615 /nfs/dbraw/zinc/84/86/15/414848615.db2.gz CUUXALQHXFJIBG-QWHCGFSZSA-N 2 2 295.427 0.887 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)C1 ZINC000662859779 414852005 /nfs/dbraw/zinc/85/20/05/414852005.db2.gz ONYJLPCFYDDOMK-RFGFWPKPSA-N 2 2 283.416 0.600 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)C1 ZINC000662859779 414852012 /nfs/dbraw/zinc/85/20/12/414852012.db2.gz ONYJLPCFYDDOMK-RFGFWPKPSA-N 2 2 283.416 0.600 20 0 CCADLP CN(C(=O)CCC[NH3+])[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900148 414880247 /nfs/dbraw/zinc/88/02/47/414880247.db2.gz JAIJZOMNHOXZEL-AWEZNQCLSA-N 3 2 282.432 0.352 20 0 CCADLP CN(C(=O)CCC[NH3+])[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900148 414880252 /nfs/dbraw/zinc/88/02/52/414880252.db2.gz JAIJZOMNHOXZEL-AWEZNQCLSA-N 3 2 282.432 0.352 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCO[C@](C)(C(F)F)C1 ZINC000663002832 414942835 /nfs/dbraw/zinc/94/28/35/414942835.db2.gz UHLJCPBQAAYOCI-CABZTGNLSA-N 2 2 279.331 0.148 20 0 CCADLP C[C@H](NC(=O)[C@H]1C[C@]12CCC[NH2+]C2)c1[nH+]ccn1C ZINC000662934748 414903767 /nfs/dbraw/zinc/90/37/67/414903767.db2.gz QFVKMJUBFCLLPJ-WDMOLILDSA-N 2 2 262.357 0.987 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663005323 414946578 /nfs/dbraw/zinc/94/65/78/414946578.db2.gz TUEKYTJXRMINFO-CABCVRRESA-N 3 2 296.459 0.504 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663005323 414946584 /nfs/dbraw/zinc/94/65/84/414946584.db2.gz TUEKYTJXRMINFO-CABCVRRESA-N 3 2 296.459 0.504 20 0 CCADLP C[C@@]1(NC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC[NH2+]C1 ZINC000663607950 415094174 /nfs/dbraw/zinc/09/41/74/415094174.db2.gz BIBXFSPDYVVDJY-CQSZACIVSA-N 2 2 287.323 0.141 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[NH2+]C[C@](C)(F)C1 ZINC000663242041 415026859 /nfs/dbraw/zinc/02/68/59/415026859.db2.gz KVCPPOGJBFPQCQ-NSHDSACASA-N 2 2 255.297 0.205 20 0 CCADLP C[C@H]1CC[C@H]1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664891466 415484331 /nfs/dbraw/zinc/48/43/31/415484331.db2.gz NFQQNFBEWFWOCI-QWHCGFSZSA-N 2 2 270.421 0.968 20 0 CCADLP C[C@H]1CC[C@H]1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664891466 415484337 /nfs/dbraw/zinc/48/43/37/415484337.db2.gz NFQQNFBEWFWOCI-QWHCGFSZSA-N 2 2 270.421 0.968 20 0 CCADLP C[C@@H](CNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C)[NH+](C)C ZINC000665044020 415517532 /nfs/dbraw/zinc/51/75/32/415517532.db2.gz PGEUQNWVSNDNGU-AVGNSLFASA-N 2 2 286.420 0.345 20 0 CCADLP C[C@@H](CNC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C)[NH+](C)C ZINC000665044020 415517537 /nfs/dbraw/zinc/51/75/37/415517537.db2.gz PGEUQNWVSNDNGU-AVGNSLFASA-N 2 2 286.420 0.345 20 0 CCADLP CCS(=O)(=O)C1(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000665276076 415588616 /nfs/dbraw/zinc/58/86/16/415588616.db2.gz XZVJHJPXVVKFLN-GHMZBOCLSA-N 2 2 260.403 0.684 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000417516425 298956334 /nfs/dbraw/zinc/95/63/34/298956334.db2.gz GVCYUKKIAJBDKE-SRVKXCTJSA-N 2 2 272.393 0.132 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000353518219 287315556 /nfs/dbraw/zinc/31/55/56/287315556.db2.gz NBTIDEPELNBENY-ILXRZTDVSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@@H+]1CC[C@@H]2CC[NH+](C[C@H]3CNc4ccnn4C3)[C@@H]2C1 ZINC000684199765 545629485 /nfs/dbraw/zinc/62/94/85/545629485.db2.gz JMWMICDAORCMHQ-MGPQQGTHSA-N 2 2 275.400 0.951 20 0 CCADLP C[N@H+]1CC[C@@H]2CC[NH+](C[C@H]3CNc4ccnn4C3)[C@@H]2C1 ZINC000684199765 545629488 /nfs/dbraw/zinc/62/94/88/545629488.db2.gz JMWMICDAORCMHQ-MGPQQGTHSA-N 2 2 275.400 0.951 20 0 CCADLP C[NH+]1CC[C@@H]2CC[N@H+](C[C@H]3CNc4ccnn4C3)[C@@H]2C1 ZINC000684199765 545629490 /nfs/dbraw/zinc/62/94/90/545629490.db2.gz JMWMICDAORCMHQ-MGPQQGTHSA-N 2 2 275.400 0.951 20 0 CCADLP C[NH+]1CC[C@@H]2CC[N@@H+](C[C@H]3CNc4ccnn4C3)[C@@H]2C1 ZINC000684199765 545629493 /nfs/dbraw/zinc/62/94/93/545629493.db2.gz JMWMICDAORCMHQ-MGPQQGTHSA-N 2 2 275.400 0.951 20 0 CCADLP CC(C)CCO[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093188342 544537518 /nfs/dbraw/zinc/53/75/18/544537518.db2.gz GCQFXAJZPQZTAK-OAHLLOKOSA-N 2 2 297.443 0.897 20 0 CCADLP CC(C)CCO[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093188342 544537521 /nfs/dbraw/zinc/53/75/21/544537521.db2.gz GCQFXAJZPQZTAK-OAHLLOKOSA-N 2 2 297.443 0.897 20 0 CCADLP CC[N@H+](CCCNC(=O)COCC[NH3+])c1ccccc1 ZINC000093231938 544540674 /nfs/dbraw/zinc/54/06/74/544540674.db2.gz XBYYQIRWXQHQOR-UHFFFAOYSA-N 2 2 279.384 0.995 20 0 CCADLP CC[N@@H+](CCCNC(=O)COCC[NH3+])c1ccccc1 ZINC000093231938 544540680 /nfs/dbraw/zinc/54/06/80/544540680.db2.gz XBYYQIRWXQHQOR-UHFFFAOYSA-N 2 2 279.384 0.995 20 0 CCADLP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000088289354 544505662 /nfs/dbraw/zinc/50/56/62/544505662.db2.gz GHVHOIDVVNUCJV-KBPBESRZSA-N 2 2 284.448 0.360 20 0 CCADLP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000088289354 544505666 /nfs/dbraw/zinc/50/56/66/544505666.db2.gz GHVHOIDVVNUCJV-KBPBESRZSA-N 2 2 284.448 0.360 20 0 CCADLP C[NH+]1CCN(Cc2cn(CCCn3cc[nH+]c3)nn2)CC1 ZINC000096248007 544552050 /nfs/dbraw/zinc/55/20/50/544552050.db2.gz SYHPAQUENMMMTB-UHFFFAOYSA-N 2 2 289.387 0.312 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000493915824 420316583 /nfs/dbraw/zinc/31/65/83/420316583.db2.gz FOKQTJBTFBLZEO-VXGBXAGGSA-N 2 2 295.387 0.137 20 0 CCADLP C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc(C[NH3+])o2)C[C@H](C)O1 ZINC000237671741 544896649 /nfs/dbraw/zinc/89/66/49/544896649.db2.gz ZFJCMUQASXXBDN-TXEJJXNPSA-N 2 2 295.383 0.967 20 0 CCADLP C[C@@H]1C[N@H+](CCCNC(=O)c2ccc(C[NH3+])o2)C[C@H](C)O1 ZINC000237671741 544896652 /nfs/dbraw/zinc/89/66/52/544896652.db2.gz ZFJCMUQASXXBDN-TXEJJXNPSA-N 2 2 295.383 0.967 20 0 CCADLP CC[N@@H+]1CCN(c2nc[nH+]c(N)c2OC)C[C@H]1C ZINC000250346766 544922343 /nfs/dbraw/zinc/92/23/43/544922343.db2.gz QOJPBZKDTVENQV-SECBINFHSA-N 2 2 251.334 0.598 20 0 CCADLP CC[N@H+]1CCN(c2nc[nH+]c(N)c2OC)C[C@H]1C ZINC000250346766 544922347 /nfs/dbraw/zinc/92/23/47/544922347.db2.gz QOJPBZKDTVENQV-SECBINFHSA-N 2 2 251.334 0.598 20 0 CCADLP C[C@H]1CCC[N@H+](CCN2C(=O)NC(C)(C)C2=O)[C@H]1C[NH3+] ZINC000252090920 544928569 /nfs/dbraw/zinc/92/85/69/544928569.db2.gz DPTVIGHUBNIYSJ-QWRGUYRKSA-N 2 2 282.388 0.376 20 0 CCADLP C[C@H]1CCC[N@@H+](CCN2C(=O)NC(C)(C)C2=O)[C@H]1C[NH3+] ZINC000252090920 544928574 /nfs/dbraw/zinc/92/85/74/544928574.db2.gz DPTVIGHUBNIYSJ-QWRGUYRKSA-N 2 2 282.388 0.376 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000333817972 545043547 /nfs/dbraw/zinc/04/35/47/545043547.db2.gz QRSKCUINTSNZST-QWHCGFSZSA-N 2 2 298.431 0.537 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000333817972 545043549 /nfs/dbraw/zinc/04/35/49/545043549.db2.gz QRSKCUINTSNZST-QWHCGFSZSA-N 2 2 298.431 0.537 20 0 CCADLP CC(C)[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000324039599 545016880 /nfs/dbraw/zinc/01/68/80/545016880.db2.gz WCARJEAPWQBOLX-AWEZNQCLSA-N 2 2 253.390 0.785 20 0 CCADLP O=C(NCC[NH+]1CCOCC1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000332696644 545032142 /nfs/dbraw/zinc/03/21/42/545032142.db2.gz YYHFWFANROMQKA-UONOGXRCSA-N 2 2 296.415 0.245 20 0 CCADLP O=C(NCC[NH+]1CCOCC1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000332696644 545032144 /nfs/dbraw/zinc/03/21/44/545032144.db2.gz YYHFWFANROMQKA-UONOGXRCSA-N 2 2 296.415 0.245 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CC[NH+](C3CCC3)CC2)c1 ZINC000333678657 545041671 /nfs/dbraw/zinc/04/16/71/545041671.db2.gz ZKTROUYOKUWUDH-UHFFFAOYSA-N 2 2 291.399 0.842 20 0 CCADLP C[C@H]1[NH2+]CCC[C@H]1NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000333669178 545041832 /nfs/dbraw/zinc/04/18/32/545041832.db2.gz MUVMGCXXHILYHF-YIYPIFLZSA-N 2 2 296.415 0.289 20 0 CCADLP C[C@H]1[NH2+]CCC[C@H]1NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000333669178 545041834 /nfs/dbraw/zinc/04/18/34/545041834.db2.gz MUVMGCXXHILYHF-YIYPIFLZSA-N 2 2 296.415 0.289 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000333729215 545042472 /nfs/dbraw/zinc/04/24/72/545042472.db2.gz HODSQHKDQLJBEJ-AGIUHOORSA-N 2 2 284.404 0.147 20 0 CCADLP C[NH+](C)CCOCCNC(=O)CCc1c[nH+]c[nH]1 ZINC000355772565 545076093 /nfs/dbraw/zinc/07/60/93/545076093.db2.gz ZSIKNONJZZJDMB-UHFFFAOYSA-N 2 2 254.334 0.037 20 0 CCADLP C[NH+](C)CCOCCNC(=O)CCc1c[nH]c[nH+]1 ZINC000355772565 545076094 /nfs/dbraw/zinc/07/60/94/545076094.db2.gz ZSIKNONJZZJDMB-UHFFFAOYSA-N 2 2 254.334 0.037 20 0 CCADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C(=O)N1CCCC[C@H]1C ZINC000521427002 262329113 /nfs/dbraw/zinc/32/91/13/262329113.db2.gz XCRLSVLESBHMIK-VNHYZAJKSA-N 2 2 297.443 0.821 20 0 CCADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C(=O)N1CCCC[C@H]1C ZINC000521427002 262329115 /nfs/dbraw/zinc/32/91/15/262329115.db2.gz XCRLSVLESBHMIK-VNHYZAJKSA-N 2 2 297.443 0.821 20 0 CCADLP NC(=O)CC[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390856154 262354257 /nfs/dbraw/zinc/35/42/57/262354257.db2.gz KROGTWMACVSAJA-OAHLLOKOSA-N 2 2 291.395 0.743 20 0 CCADLP NC(=O)CC[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390856154 262354258 /nfs/dbraw/zinc/35/42/58/262354258.db2.gz KROGTWMACVSAJA-OAHLLOKOSA-N 2 2 291.395 0.743 20 0 CCADLP CCc1ncc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000575234019 335086092 /nfs/dbraw/zinc/08/60/92/335086092.db2.gz XPLCALUVHHOOHJ-NSHDSACASA-N 2 2 278.360 0.146 20 0 CCADLP CCc1ncc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000575234019 335086093 /nfs/dbraw/zinc/08/60/93/335086093.db2.gz XPLCALUVHHOOHJ-NSHDSACASA-N 2 2 278.360 0.146 20 0 CCADLP CC(C)[C@H](O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368268341 276023764 /nfs/dbraw/zinc/02/37/64/276023764.db2.gz WPIMJPYSNAXNCN-JSGCOSHPSA-N 2 2 283.416 0.288 20 0 CCADLP CC(C)[C@H](O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368268341 276023767 /nfs/dbraw/zinc/02/37/67/276023767.db2.gz WPIMJPYSNAXNCN-JSGCOSHPSA-N 2 2 283.416 0.288 20 0 CCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@@H](C)[NH3+])C2 ZINC000168411059 276065782 /nfs/dbraw/zinc/06/57/82/276065782.db2.gz OUVXNNJFOMMWAH-SECBINFHSA-N 2 2 250.346 0.775 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@]1(C)C(N)=O ZINC000514870494 276072109 /nfs/dbraw/zinc/07/21/09/276072109.db2.gz LHEJDIWCIYCJEI-DGCLKSJQSA-N 2 2 257.378 0.029 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@]1(C)C(N)=O ZINC000514870494 276072110 /nfs/dbraw/zinc/07/21/10/276072110.db2.gz LHEJDIWCIYCJEI-DGCLKSJQSA-N 2 2 257.378 0.029 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000514870494 276072112 /nfs/dbraw/zinc/07/21/12/276072112.db2.gz LHEJDIWCIYCJEI-DGCLKSJQSA-N 2 2 257.378 0.029 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@]1(C)C(N)=O ZINC000514870494 276072113 /nfs/dbraw/zinc/07/21/13/276072113.db2.gz LHEJDIWCIYCJEI-DGCLKSJQSA-N 2 2 257.378 0.029 20 0 CCADLP CC1=CC[N@H+](CC[NH2+]C2CCN(C(N)=O)CC2)CC1 ZINC000358160329 276182950 /nfs/dbraw/zinc/18/29/50/276182950.db2.gz DELIIECXDFIBHG-UHFFFAOYSA-N 2 2 266.389 0.771 20 0 CCADLP CC1=CC[N@@H+](CC[NH2+]C2CCN(C(N)=O)CC2)CC1 ZINC000358160329 276182952 /nfs/dbraw/zinc/18/29/52/276182952.db2.gz DELIIECXDFIBHG-UHFFFAOYSA-N 2 2 266.389 0.771 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@@H](C)[NH2+]C ZINC000423622971 276235592 /nfs/dbraw/zinc/23/55/92/276235592.db2.gz BDIGIVLKBAUXRD-NEPJUHHUSA-N 2 2 257.378 0.211 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@@H](C)[NH2+]C ZINC000423622971 276235595 /nfs/dbraw/zinc/23/55/95/276235595.db2.gz BDIGIVLKBAUXRD-NEPJUHHUSA-N 2 2 257.378 0.211 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000423613855 276270351 /nfs/dbraw/zinc/27/03/51/276270351.db2.gz WFTWKZXLCOPGBI-TZMCWYRMSA-N 2 2 283.416 0.744 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000423613855 276270352 /nfs/dbraw/zinc/27/03/52/276270352.db2.gz WFTWKZXLCOPGBI-TZMCWYRMSA-N 2 2 283.416 0.744 20 0 CCADLP C[NH+](C)CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000343270160 276784901 /nfs/dbraw/zinc/78/49/01/276784901.db2.gz PFOAMAHXVNZSSW-BFHYXJOUSA-N 3 2 255.406 0.685 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000379978534 545084324 /nfs/dbraw/zinc/08/43/24/545084324.db2.gz USCPMFZNZQZJRO-SNVBAGLBSA-N 2 2 276.262 0.876 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]CCC(=O)NC(N)=O)[C@H]1c1ccccc1 ZINC000411698783 277170645 /nfs/dbraw/zinc/17/06/45/277170645.db2.gz UQYRJSWHQSXMJE-GXTWGEPZSA-N 2 2 290.367 0.606 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]CCC(=O)NC(N)=O)[C@H]1c1ccccc1 ZINC000411698783 277170646 /nfs/dbraw/zinc/17/06/46/277170646.db2.gz UQYRJSWHQSXMJE-GXTWGEPZSA-N 2 2 290.367 0.606 20 0 CCADLP C[N@@H+]1CC[C@H]2CCN(c3cc(-n4cccn4)nc(N)[nH+]3)[C@@H]2C1 ZINC000272202087 277177918 /nfs/dbraw/zinc/17/79/18/277177918.db2.gz OSJMJQWLKSJOMJ-NWDGAFQWSA-N 2 2 299.382 0.775 20 0 CCADLP C[N@H+]1CC[C@H]2CCN(c3cc(-n4cccn4)nc(N)[nH+]3)[C@@H]2C1 ZINC000272202087 277177919 /nfs/dbraw/zinc/17/79/19/277177919.db2.gz OSJMJQWLKSJOMJ-NWDGAFQWSA-N 2 2 299.382 0.775 20 0 CCADLP COC(=O)[C@H](C)C[N@H+](CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000093170942 277380153 /nfs/dbraw/zinc/38/01/53/277380153.db2.gz CHFQQGWBVQOODT-GFCCVEGCSA-N 2 2 297.399 0.034 20 0 CCADLP COC(=O)[C@H](C)C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000093170942 277380154 /nfs/dbraw/zinc/38/01/54/277380154.db2.gz CHFQQGWBVQOODT-GFCCVEGCSA-N 2 2 297.399 0.034 20 0 CCADLP COC[C@@H]([NH3+])C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000262356187 277566932 /nfs/dbraw/zinc/56/69/32/277566932.db2.gz VAWQODOPHZJGCU-NXEZZACHSA-N 2 2 252.318 0.089 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000494663818 277749059 /nfs/dbraw/zinc/74/90/59/277749059.db2.gz FWQYWEVDCWQMPJ-JHJVBQTASA-N 2 2 269.389 0.149 20 0 CCADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C[NH3+])CC2)c1 ZINC000098135833 278019175 /nfs/dbraw/zinc/01/91/75/278019175.db2.gz PUQNQLSBLNCCME-GFCCVEGCSA-N 2 2 277.368 0.859 20 0 CCADLP C[C@@H](C(=O)NCC[NH3+])[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000237509577 278207442 /nfs/dbraw/zinc/20/74/42/278207442.db2.gz AJXSUEFMODAIKQ-LBPRGKRZSA-N 2 2 294.374 0.411 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000422979998 278217833 /nfs/dbraw/zinc/21/78/33/278217833.db2.gz OHCMVXPFEXINSU-BFHYXJOUSA-N 3 2 257.422 0.795 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCCn1cc[nH+]c1 ZINC000416860287 278230854 /nfs/dbraw/zinc/23/08/54/278230854.db2.gz VNXFLVFGKOEWJS-NWDGAFQWSA-N 2 2 265.361 0.794 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000246221346 278264333 /nfs/dbraw/zinc/26/43/33/278264333.db2.gz ZMCDOYIWDVNREN-LSDHHAIUSA-N 2 2 267.417 0.877 20 0 CCADLP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000423354295 278284591 /nfs/dbraw/zinc/28/45/91/278284591.db2.gz CPZOAGAIPIRPTC-MJVIPROJSA-N 2 2 297.424 0.983 20 0 CCADLP CC1CC[NH+](CC(=O)N2CC[NH2+]C[C@@](C)(F)C2)CC1 ZINC000335007343 278537975 /nfs/dbraw/zinc/53/79/75/278537975.db2.gz BJZASWPNAVVPOA-CQSZACIVSA-N 2 2 271.380 0.878 20 0 CCADLP CCCC[C@@H]([NH3+])C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000154597499 278726411 /nfs/dbraw/zinc/72/64/11/278726411.db2.gz GFMNAXKMQWJZCC-MGPQQGTHSA-N 2 2 283.416 0.683 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000487732419 288085728 /nfs/dbraw/zinc/08/57/28/288085728.db2.gz RQTOCBUYMHTORM-QPSCCSFWSA-N 2 2 295.427 0.506 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000487732419 288085731 /nfs/dbraw/zinc/08/57/31/288085731.db2.gz RQTOCBUYMHTORM-QPSCCSFWSA-N 2 2 295.427 0.506 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000451223454 288090818 /nfs/dbraw/zinc/09/08/18/288090818.db2.gz STDGGGMCWFCRQN-MQYQWHSLSA-N 2 2 253.390 0.389 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000451223454 288090820 /nfs/dbraw/zinc/09/08/20/288090820.db2.gz STDGGGMCWFCRQN-MQYQWHSLSA-N 2 2 253.390 0.389 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC000353095700 288098069 /nfs/dbraw/zinc/09/80/69/288098069.db2.gz XVWGVJYXZDEMBD-UTUOFQBUSA-N 2 2 295.349 0.789 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC000353095700 288098072 /nfs/dbraw/zinc/09/80/72/288098072.db2.gz XVWGVJYXZDEMBD-UTUOFQBUSA-N 2 2 295.349 0.789 20 0 CCADLP CCN(CC)C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069856057 279068828 /nfs/dbraw/zinc/06/88/28/279068828.db2.gz ZIKWYCIGMLBOAZ-OAHLLOKOSA-N 2 2 297.443 0.899 20 0 CCADLP CCN(CC)C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069856057 279068829 /nfs/dbraw/zinc/06/88/29/279068829.db2.gz ZIKWYCIGMLBOAZ-OAHLLOKOSA-N 2 2 297.443 0.899 20 0 CCADLP Cc1nc(N2CC[N@@H+](C)[C@H](C)[C@H]2C)nc(N(C)C)[nH+]1 ZINC000356797945 279087904 /nfs/dbraw/zinc/08/79/04/279087904.db2.gz RANFJYBJCAQZDL-NXEZZACHSA-N 2 2 264.377 0.775 20 0 CCADLP Cc1nc(N2CC[N@H+](C)[C@H](C)[C@H]2C)nc(N(C)C)[nH+]1 ZINC000356797945 279087905 /nfs/dbraw/zinc/08/79/05/279087905.db2.gz RANFJYBJCAQZDL-NXEZZACHSA-N 2 2 264.377 0.775 20 0 CCADLP CC[NH+](C[C@H](O)C[N@@H+](CC)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000361596909 279229818 /nfs/dbraw/zinc/22/98/18/279229818.db2.gz WAIKFNCMBQMLOU-FICVDOATSA-N 2 2 286.416 0.569 20 0 CCADLP CC[NH+](C[C@H](O)C[N@H+](CC)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000361596909 279229820 /nfs/dbraw/zinc/22/98/20/279229820.db2.gz WAIKFNCMBQMLOU-FICVDOATSA-N 2 2 286.416 0.569 20 0 CCADLP CC[NH+](C[C@@H](O)C[N@H+](CC)[C@@H]1CCOC1)[C@H]1CCOC1 ZINC000361596909 279229822 /nfs/dbraw/zinc/22/98/22/279229822.db2.gz WAIKFNCMBQMLOU-FICVDOATSA-N 2 2 286.416 0.569 20 0 CCADLP CC[NH+](C[C@@H](O)C[N@@H+](CC)[C@@H]1CCOC1)[C@H]1CCOC1 ZINC000361596909 279229824 /nfs/dbraw/zinc/22/98/24/279229824.db2.gz WAIKFNCMBQMLOU-FICVDOATSA-N 2 2 286.416 0.569 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000363901034 279265138 /nfs/dbraw/zinc/26/51/38/279265138.db2.gz SBQMHMOEGKWCGE-HUUCEWRRSA-N 2 2 295.427 0.794 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000363901034 279265139 /nfs/dbraw/zinc/26/51/39/279265139.db2.gz SBQMHMOEGKWCGE-HUUCEWRRSA-N 2 2 295.427 0.794 20 0 CCADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283019069 288143222 /nfs/dbraw/zinc/14/32/22/288143222.db2.gz HROSUCDVTOGYBX-ZYOFXKKJSA-N 2 2 292.383 0.727 20 0 CCADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000283019069 288143227 /nfs/dbraw/zinc/14/32/27/288143227.db2.gz HROSUCDVTOGYBX-ZYOFXKKJSA-N 2 2 292.383 0.727 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)[C@H](C)[C@H](C)O1 ZINC000351646491 288196981 /nfs/dbraw/zinc/19/69/81/288196981.db2.gz GZHQSGRDBRREJI-NRWUCQMLSA-N 2 2 256.390 0.939 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)[C@H](C)[C@H](C)O1 ZINC000351646491 288196984 /nfs/dbraw/zinc/19/69/84/288196984.db2.gz GZHQSGRDBRREJI-NRWUCQMLSA-N 2 2 256.390 0.939 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)[C@H](C)[C@H](C)O1 ZINC000351646491 288196986 /nfs/dbraw/zinc/19/69/86/288196986.db2.gz GZHQSGRDBRREJI-NRWUCQMLSA-N 2 2 256.390 0.939 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)[C@H](C)[C@H](C)O1 ZINC000351646491 288196989 /nfs/dbraw/zinc/19/69/89/288196989.db2.gz GZHQSGRDBRREJI-NRWUCQMLSA-N 2 2 256.390 0.939 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)[C@@H](C)[C@H](C)O1 ZINC000351646493 288197118 /nfs/dbraw/zinc/19/71/18/288197118.db2.gz GZHQSGRDBRREJI-OWTLIXCDSA-N 2 2 256.390 0.939 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)[C@@H](C)[C@H](C)O1 ZINC000351646493 288197120 /nfs/dbraw/zinc/19/71/20/288197120.db2.gz GZHQSGRDBRREJI-OWTLIXCDSA-N 2 2 256.390 0.939 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)[C@@H](C)[C@H](C)O1 ZINC000351646493 288197123 /nfs/dbraw/zinc/19/71/23/288197123.db2.gz GZHQSGRDBRREJI-OWTLIXCDSA-N 2 2 256.390 0.939 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)[C@@H](C)[C@H](C)O1 ZINC000351646493 288197125 /nfs/dbraw/zinc/19/71/25/288197125.db2.gz GZHQSGRDBRREJI-OWTLIXCDSA-N 2 2 256.390 0.939 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)[C@@H](C)[NH3+] ZINC000423763921 280175061 /nfs/dbraw/zinc/17/50/61/280175061.db2.gz UWWKVMCPOACYEX-XBFCOCLRSA-N 2 2 283.416 0.585 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)[C@@H](C)[NH3+] ZINC000423763921 280175063 /nfs/dbraw/zinc/17/50/63/280175063.db2.gz UWWKVMCPOACYEX-XBFCOCLRSA-N 2 2 283.416 0.585 20 0 CCADLP c1nc(N2CC[NH2+]CC2)cc(N2CCSCC2)[nH+]1 ZINC000045948031 280508398 /nfs/dbraw/zinc/50/83/98/280508398.db2.gz WTNJEOPIKNIUIY-UHFFFAOYSA-N 2 2 265.386 0.439 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)CC1CC[NH2+]CC1 ZINC000178763478 281285079 /nfs/dbraw/zinc/28/50/79/281285079.db2.gz QGIPPJCHKACDHQ-UHFFFAOYSA-N 2 2 283.416 0.603 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)CC1CC[NH2+]CC1 ZINC000178763478 281285082 /nfs/dbraw/zinc/28/50/82/281285082.db2.gz QGIPPJCHKACDHQ-UHFFFAOYSA-N 2 2 283.416 0.603 20 0 CCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359309817 289331614 /nfs/dbraw/zinc/33/16/14/289331614.db2.gz QEBIBBVFCTUESS-MXWKQRLJSA-N 2 2 282.388 0.150 20 0 CCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359309817 289331617 /nfs/dbraw/zinc/33/16/17/289331617.db2.gz QEBIBBVFCTUESS-MXWKQRLJSA-N 2 2 282.388 0.150 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CSC2(C)C)[C@@H](C[NH3+])C1 ZINC000518940408 290016543 /nfs/dbraw/zinc/01/65/43/290016543.db2.gz JUALUNBDAKBLFX-VHSXEESVSA-N 2 2 272.418 0.165 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CSC2(C)C)[C@@H](C[NH3+])C1 ZINC000518940408 290016545 /nfs/dbraw/zinc/01/65/45/290016545.db2.gz JUALUNBDAKBLFX-VHSXEESVSA-N 2 2 272.418 0.165 20 0 CCADLP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)NC(=O)NC3CC3)C2)C1 ZINC000429010491 290187711 /nfs/dbraw/zinc/18/77/11/290187711.db2.gz PXKDAMRNPHPPTJ-CQSZACIVSA-N 2 2 280.372 0.002 20 0 CCADLP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)NC(=O)NC3CC3)C2)C1 ZINC000429010491 290187715 /nfs/dbraw/zinc/18/77/15/290187715.db2.gz PXKDAMRNPHPPTJ-CQSZACIVSA-N 2 2 280.372 0.002 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)NC(=O)NC3CC3)C2)C1 ZINC000429010491 290187718 /nfs/dbraw/zinc/18/77/18/290187718.db2.gz PXKDAMRNPHPPTJ-CQSZACIVSA-N 2 2 280.372 0.002 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)NC(=O)NC3CC3)C2)C1 ZINC000429010491 290187723 /nfs/dbraw/zinc/18/77/23/290187723.db2.gz PXKDAMRNPHPPTJ-CQSZACIVSA-N 2 2 280.372 0.002 20 0 CCADLP COC[C@]1(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CCC[NH2+]1 ZINC000423426609 293294419 /nfs/dbraw/zinc/29/44/19/293294419.db2.gz NBBUOEDMYGUXGH-BFHYXJOUSA-N 3 2 255.406 0.685 20 0 CCADLP COC[C@]1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CCC[NH2+]1 ZINC000423426609 293294421 /nfs/dbraw/zinc/29/44/21/293294421.db2.gz NBBUOEDMYGUXGH-BFHYXJOUSA-N 3 2 255.406 0.685 20 0 CCADLP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000449616277 295215517 /nfs/dbraw/zinc/21/55/17/295215517.db2.gz CNCVPWKBUZVHJV-DYKAEWMKSA-N 2 2 273.327 0.616 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@@H+]1CCN1C(=O)NC2(CCCC2)C1=O ZINC000430539008 295253212 /nfs/dbraw/zinc/25/32/12/295253212.db2.gz DBDJCOHIZIOQKP-NSHDSACASA-N 2 2 280.372 0.274 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@H+]1CCN1C(=O)NC2(CCCC2)C1=O ZINC000430539008 295253214 /nfs/dbraw/zinc/25/32/14/295253214.db2.gz DBDJCOHIZIOQKP-NSHDSACASA-N 2 2 280.372 0.274 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)N(C2CC2)C2CCCC2)CCCO1 ZINC000333828106 295260377 /nfs/dbraw/zinc/26/03/77/295260377.db2.gz IXOQBCXGOQVBQO-OAHLLOKOSA-N 2 2 295.427 0.970 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)N(C2CC2)C2CCCC2)CCCO1 ZINC000333828106 295260378 /nfs/dbraw/zinc/26/03/78/295260378.db2.gz IXOQBCXGOQVBQO-OAHLLOKOSA-N 2 2 295.427 0.970 20 0 CCADLP [NH3+][C@H]1CCCC[C@@H]1CC(=O)NCC[NH+]1CCOCC1 ZINC000055123600 295333451 /nfs/dbraw/zinc/33/34/51/295333451.db2.gz HCNSCULUZQKPMT-OLZOCXBDSA-N 2 2 269.389 0.342 20 0 CCADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)COCCOC)C1 ZINC000389211287 545086969 /nfs/dbraw/zinc/08/69/69/545086969.db2.gz BYVYVGPLHPIVLS-CHWSQXEVSA-N 2 2 260.378 0.084 20 0 CCADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)COCCOC)C1 ZINC000389211287 545086970 /nfs/dbraw/zinc/08/69/70/545086970.db2.gz BYVYVGPLHPIVLS-CHWSQXEVSA-N 2 2 260.378 0.084 20 0 CCADLP C[C@H](C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)[NH+]1CCSCC1 ZINC000352805734 298078335 /nfs/dbraw/zinc/07/83/35/298078335.db2.gz MQBSYCLQFCOGRC-HZSPNIEDSA-N 2 2 297.468 0.976 20 0 CCADLP C[C@H](C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21)[NH+]1CCSCC1 ZINC000352805734 298078339 /nfs/dbraw/zinc/07/83/39/298078339.db2.gz MQBSYCLQFCOGRC-HZSPNIEDSA-N 2 2 297.468 0.976 20 0 CCADLP C[C@H](C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)[NH+]1CCSCC1 ZINC000352805736 298084865 /nfs/dbraw/zinc/08/48/65/298084865.db2.gz MQBSYCLQFCOGRC-MGPQQGTHSA-N 2 2 297.468 0.976 20 0 CCADLP C[C@H](C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21)[NH+]1CCSCC1 ZINC000352805736 298084867 /nfs/dbraw/zinc/08/48/67/298084867.db2.gz MQBSYCLQFCOGRC-MGPQQGTHSA-N 2 2 297.468 0.976 20 0 CCADLP [NH3+]CC12CCC(CC1)C[N@@H+]2CCC(=O)N1CCOCC1 ZINC000514614085 303370495 /nfs/dbraw/zinc/37/04/95/303370495.db2.gz BGXCNFISSJLYHQ-UHFFFAOYSA-N 2 2 281.400 0.439 20 0 CCADLP [NH3+]CC12CCC(CC1)C[N@H+]2CCC(=O)N1CCOCC1 ZINC000514614085 303370498 /nfs/dbraw/zinc/37/04/98/303370498.db2.gz BGXCNFISSJLYHQ-UHFFFAOYSA-N 2 2 281.400 0.439 20 0 CCADLP [NH3+]CCC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000040858234 303372209 /nfs/dbraw/zinc/37/22/09/303372209.db2.gz IWWLEJNMOINMHF-NSHDSACASA-N 2 2 283.397 0.586 20 0 CCADLP CCOC[C@H](O)C[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000580324589 327807920 /nfs/dbraw/zinc/80/79/20/327807920.db2.gz BAFGHVDENIEWRX-CYBMUJFWSA-N 2 2 274.405 0.209 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000413235211 533704163 /nfs/dbraw/zinc/70/41/63/533704163.db2.gz ARURQEMFLJLGDB-LLVKDONJSA-N 2 2 277.372 0.554 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000582786813 329198656 /nfs/dbraw/zinc/19/86/56/329198656.db2.gz IVJWLFPGLKDTNB-GVXVVHGQSA-N 2 2 251.374 0.809 20 0 CCADLP O=C(NCC[C@@H]1CC[NH2+]C1)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000584162391 327053761 /nfs/dbraw/zinc/05/37/61/327053761.db2.gz JCBJYURAAMBFMP-MELADBBJSA-N 2 2 296.415 0.148 20 0 CCADLP O=C(NCC[C@@H]1CC[NH2+]C1)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000584162391 327053762 /nfs/dbraw/zinc/05/37/62/327053762.db2.gz JCBJYURAAMBFMP-MELADBBJSA-N 2 2 296.415 0.148 20 0 CCADLP C[C@](O)(C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)C1CC1 ZINC000584239324 327102806 /nfs/dbraw/zinc/10/28/06/327102806.db2.gz UCCSMKYHHZSDGP-MCIONIFRSA-N 2 2 254.374 0.504 20 0 CCADLP Cc1cc(CC[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)on1 ZINC000566128944 327143757 /nfs/dbraw/zinc/14/37/57/327143757.db2.gz QGPPXRKATINSCE-MJBXVCDLSA-N 2 2 297.399 0.585 20 0 CCADLP Cc1cc(CC[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)on1 ZINC000566128944 327143758 /nfs/dbraw/zinc/14/37/58/327143758.db2.gz QGPPXRKATINSCE-MJBXVCDLSA-N 2 2 297.399 0.585 20 0 CCADLP CC(C)(CNC[C@H](O)C[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000583376329 327333529 /nfs/dbraw/zinc/33/35/29/327333529.db2.gz IVZPKVIKIOXHNQ-HNNXBMFYSA-N 2 2 299.459 0.534 20 0 CCADLP CCn1cc(CC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cn1 ZINC000583448783 327372455 /nfs/dbraw/zinc/37/24/55/327372455.db2.gz OYRFRAASVPPJPP-UHFFFAOYSA-N 2 2 274.372 0.991 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])c1cscn1 ZINC000579587566 327392610 /nfs/dbraw/zinc/39/26/10/327392610.db2.gz AAHDUQUJDVAITB-GXSJLCMTSA-N 2 2 268.386 0.743 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])c1cscn1 ZINC000579587566 327392612 /nfs/dbraw/zinc/39/26/12/327392612.db2.gz AAHDUQUJDVAITB-GXSJLCMTSA-N 2 2 268.386 0.743 20 0 CCADLP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000582428008 328986957 /nfs/dbraw/zinc/98/69/57/328986957.db2.gz VSKPVMCSPXBBSM-SPWCGHHHSA-N 2 2 294.420 0.965 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NC(=O)NCC(F)(F)F ZINC000583701077 329093286 /nfs/dbraw/zinc/09/32/86/329093286.db2.gz CACHJZYPNHOVJM-SFYZADRCSA-N 2 2 296.293 0.186 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NC(=O)NCC(F)(F)F ZINC000583701077 329093288 /nfs/dbraw/zinc/09/32/88/329093288.db2.gz CACHJZYPNHOVJM-SFYZADRCSA-N 2 2 296.293 0.186 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000582786813 329198655 /nfs/dbraw/zinc/19/86/55/329198655.db2.gz IVJWLFPGLKDTNB-GVXVVHGQSA-N 2 2 251.374 0.809 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000582972798 329297054 /nfs/dbraw/zinc/29/70/54/329297054.db2.gz RSLOOQSAUACFSQ-ZIAGYGMSSA-N 2 2 281.404 0.303 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000582972798 329297055 /nfs/dbraw/zinc/29/70/55/329297055.db2.gz RSLOOQSAUACFSQ-ZIAGYGMSSA-N 2 2 281.404 0.303 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000582972798 329297057 /nfs/dbraw/zinc/29/70/57/329297057.db2.gz RSLOOQSAUACFSQ-ZIAGYGMSSA-N 2 2 281.404 0.303 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000582972798 329297058 /nfs/dbraw/zinc/29/70/58/329297058.db2.gz RSLOOQSAUACFSQ-ZIAGYGMSSA-N 2 2 281.404 0.303 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]CC(=O)Nc1ccccc1)C1CC1 ZINC000583020171 329298287 /nfs/dbraw/zinc/29/82/87/329298287.db2.gz XMEYDDQSHMFSNI-CQSZACIVSA-N 2 2 277.368 0.670 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]CC(=O)Nc1ccccc1)C1CC1 ZINC000583020171 329298288 /nfs/dbraw/zinc/29/82/88/329298288.db2.gz XMEYDDQSHMFSNI-CQSZACIVSA-N 2 2 277.368 0.670 20 0 CCADLP C[C@H](C(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C)[NH+]1CC(C)C1 ZINC000583093353 329314952 /nfs/dbraw/zinc/31/49/52/329314952.db2.gz HZZMFKOPXMZTPM-HZSPNIEDSA-N 2 2 283.416 0.240 20 0 CCADLP C[C@H](C(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C)[NH+]1CC(C)C1 ZINC000583093353 329314954 /nfs/dbraw/zinc/31/49/54/329314954.db2.gz HZZMFKOPXMZTPM-HZSPNIEDSA-N 2 2 283.416 0.240 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000583152395 329323551 /nfs/dbraw/zinc/32/35/51/329323551.db2.gz ZBKFOHWMYBARJT-CYBMUJFWSA-N 2 2 285.413 0.862 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000583152395 329323553 /nfs/dbraw/zinc/32/35/53/329323553.db2.gz ZBKFOHWMYBARJT-CYBMUJFWSA-N 2 2 285.413 0.862 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](C)C(C)(C)C1)[NH+]1CC(C)C1 ZINC000583154012 329323761 /nfs/dbraw/zinc/32/37/61/329323761.db2.gz SEJOCNHHMRSRQQ-LBPRGKRZSA-N 2 2 253.390 0.879 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](C)C(C)(C)C1)[NH+]1CC(C)C1 ZINC000583154012 329323763 /nfs/dbraw/zinc/32/37/63/329323763.db2.gz SEJOCNHHMRSRQQ-LBPRGKRZSA-N 2 2 253.390 0.879 20 0 CCADLP COC1(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CCCCC1 ZINC000575780861 335114554 /nfs/dbraw/zinc/11/45/54/335114554.db2.gz XQDCWLBGCQTSPH-ZDUSSCGKSA-N 2 2 298.431 0.620 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@H]2CCC[C@H]2F)[C@H](C[NH3+])C1 ZINC000576254925 335178334 /nfs/dbraw/zinc/17/83/34/335178334.db2.gz ZASLDXIQDFIPIP-MXWKQRLJSA-N 2 2 258.341 0.161 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCc2cn[nH]c2)C[C@H](C)O1 ZINC000576271999 335180369 /nfs/dbraw/zinc/18/03/69/335180369.db2.gz NUVHPSSTHPULKZ-MBNYWOFBSA-N 2 2 282.388 0.012 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCc2cn[nH]c2)C[C@H](C)O1 ZINC000576271999 335180370 /nfs/dbraw/zinc/18/03/70/335180370.db2.gz NUVHPSSTHPULKZ-MBNYWOFBSA-N 2 2 282.388 0.012 20 0 CCADLP C[NH2+]C[C@](C)(O)CN1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000566074404 334620574 /nfs/dbraw/zinc/62/05/74/334620574.db2.gz TUABMPBHDUHXGY-HNNXBMFYSA-N 2 2 296.415 0.379 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000576289804 335184417 /nfs/dbraw/zinc/18/44/17/335184417.db2.gz PUDLAFHEJMVLTJ-HZPDHXFCSA-N 3 2 299.459 0.343 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000576289804 335184419 /nfs/dbraw/zinc/18/44/19/335184419.db2.gz PUDLAFHEJMVLTJ-HZPDHXFCSA-N 3 2 299.459 0.343 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000576289804 335184421 /nfs/dbraw/zinc/18/44/21/335184421.db2.gz PUDLAFHEJMVLTJ-HZPDHXFCSA-N 3 2 299.459 0.343 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000576289804 335184423 /nfs/dbraw/zinc/18/44/23/335184423.db2.gz PUDLAFHEJMVLTJ-HZPDHXFCSA-N 3 2 299.459 0.343 20 0 CCADLP CCOCCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175585121 335188593 /nfs/dbraw/zinc/18/85/93/335188593.db2.gz PKRJEHIGVNXQDN-UHFFFAOYSA-N 2 2 286.420 0.348 20 0 CCADLP COc1c(N)[nH+]cnc1N[C@H]1CCn2cc[nH+]c2C1 ZINC000576359452 335194445 /nfs/dbraw/zinc/19/44/45/335194445.db2.gz ISOZNQADYVWZPG-QMMMGPOBSA-N 2 2 260.301 0.691 20 0 CCADLP COc1c(N)nc[nH+]c1N[C@H]1CCn2cc[nH+]c2C1 ZINC000576359452 335194447 /nfs/dbraw/zinc/19/44/47/335194447.db2.gz ISOZNQADYVWZPG-QMMMGPOBSA-N 2 2 260.301 0.691 20 0 CCADLP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000576463274 335206928 /nfs/dbraw/zinc/20/69/28/335206928.db2.gz NMZLAXCSALUEMD-SCZZXKLOSA-N 2 2 254.359 0.353 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000576701549 335236808 /nfs/dbraw/zinc/23/68/08/335236808.db2.gz GSHWBFQESPUTPP-MJBXVCDLSA-N 2 2 298.431 0.618 20 0 CCADLP O=C(NCCNc1cc[nH+]cc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000576813103 335250294 /nfs/dbraw/zinc/25/02/94/335250294.db2.gz VLGLXUXDTBXDCX-LBPRGKRZSA-N 2 2 285.351 0.491 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCc2cscn2)[C@@H](C[NH3+])C1 ZINC000577060903 335293143 /nfs/dbraw/zinc/29/31/43/335293143.db2.gz YILGDKPVEQVHNG-NSHDSACASA-N 2 2 268.386 0.177 20 0 CCADLP C[N@H+]1CCN(C(=O)CCc2cscn2)[C@@H](C[NH3+])C1 ZINC000577060903 335293144 /nfs/dbraw/zinc/29/31/44/335293144.db2.gz YILGDKPVEQVHNG-NSHDSACASA-N 2 2 268.386 0.177 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC000577066530 335294579 /nfs/dbraw/zinc/29/45/79/335294579.db2.gz VJOWIZSVOCHUFE-VXGBXAGGSA-N 2 2 250.346 0.907 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000577072757 335295524 /nfs/dbraw/zinc/29/55/24/335295524.db2.gz AYUXTHPCEGHVOE-KBPBESRZSA-N 2 2 286.416 0.569 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000577072757 335295525 /nfs/dbraw/zinc/29/55/25/335295525.db2.gz AYUXTHPCEGHVOE-KBPBESRZSA-N 2 2 286.416 0.569 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000577072757 335295526 /nfs/dbraw/zinc/29/55/26/335295526.db2.gz AYUXTHPCEGHVOE-KBPBESRZSA-N 2 2 286.416 0.569 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000577072757 335295527 /nfs/dbraw/zinc/29/55/27/335295527.db2.gz AYUXTHPCEGHVOE-KBPBESRZSA-N 2 2 286.416 0.569 20 0 CCADLP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+](C)C ZINC000577111255 335301967 /nfs/dbraw/zinc/30/19/67/335301967.db2.gz PEYSDYHOWWSLMC-CABCVRRESA-N 2 2 296.411 0.555 20 0 CCADLP CC[N@H+]1C[C@@H](C)N(C(=O)[C@@H](C)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000577295571 335336672 /nfs/dbraw/zinc/33/66/72/335336672.db2.gz SJTBHBMIYVOHNY-QLFBSQMISA-N 2 2 296.459 0.563 20 0 CCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)[C@@H](C)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000577295571 335336674 /nfs/dbraw/zinc/33/66/74/335336674.db2.gz SJTBHBMIYVOHNY-QLFBSQMISA-N 2 2 296.459 0.563 20 0 CCADLP CN(CC[N@H+](C)CC(=O)NCC1CC1)C1CC[NH+](C)CC1 ZINC000177378180 335371105 /nfs/dbraw/zinc/37/11/05/335371105.db2.gz FPYBOQYTDJMOCT-UHFFFAOYSA-N 2 2 296.459 0.470 20 0 CCADLP CN(CC[N@@H+](C)CC(=O)NCC1CC1)C1CC[NH+](C)CC1 ZINC000177378180 335371107 /nfs/dbraw/zinc/37/11/07/335371107.db2.gz FPYBOQYTDJMOCT-UHFFFAOYSA-N 2 2 296.459 0.470 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)NCC1CC1 ZINC000177378180 335371109 /nfs/dbraw/zinc/37/11/09/335371109.db2.gz FPYBOQYTDJMOCT-UHFFFAOYSA-N 2 2 296.459 0.470 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)NCC1CC1 ZINC000177378180 335371110 /nfs/dbraw/zinc/37/11/10/335371110.db2.gz FPYBOQYTDJMOCT-UHFFFAOYSA-N 2 2 296.459 0.470 20 0 CCADLP COc1ccc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1O ZINC000577602953 335376606 /nfs/dbraw/zinc/37/66/06/335376606.db2.gz VDIQQCJULYBVDT-CYBMUJFWSA-N 2 2 280.368 0.946 20 0 CCADLP C[C@H](C[NH2+]CCC(=O)NC(N)=O)[NH+]1CCC(C)CC1 ZINC000577722566 335392375 /nfs/dbraw/zinc/39/23/75/335392375.db2.gz UPPRCEIFTYBNSO-LLVKDONJSA-N 2 2 270.377 0.281 20 0 CCADLP CN1CC[NH2+]C[C@@H]1CN[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000577840177 335409208 /nfs/dbraw/zinc/40/92/08/335409208.db2.gz UOZKEIHMODOFTD-CABCVRRESA-N 2 2 285.395 0.992 20 0 CCADLP Cc1nc(CN2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)no1 ZINC000578132041 335511998 /nfs/dbraw/zinc/51/19/98/335511998.db2.gz JINNVPVCNWEDJF-CYBMUJFWSA-N 2 2 279.388 0.495 20 0 CCADLP [NH3+][C@@H](C(=O)NC[C@H]1C[NH2+]CCCO1)c1c(F)cccc1F ZINC000578236240 335590065 /nfs/dbraw/zinc/59/00/65/335590065.db2.gz FSUZBFAECZFISR-NOZJJQNGSA-N 2 2 299.321 0.459 20 0 CCADLP Cn1nccc1CC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000578382614 335624134 /nfs/dbraw/zinc/62/41/34/335624134.db2.gz MBQHIIKDCJPGNB-UHFFFAOYSA-N 2 2 274.372 0.504 20 0 CCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000578502388 335641669 /nfs/dbraw/zinc/64/16/69/335641669.db2.gz OICHMSGUBQAWDZ-JQWIXIFHSA-N 2 2 262.357 0.762 20 0 CCADLP C[C@H]([NH3+])C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1 ZINC000578771071 335673325 /nfs/dbraw/zinc/67/33/25/335673325.db2.gz MZEIMJVKCDSANJ-QMMMGPOBSA-N 2 2 267.295 0.724 20 0 CCADLP CO[C@@H]([C@@H](C)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000581121349 336010949 /nfs/dbraw/zinc/01/09/49/336010949.db2.gz MPMLYNVSXYLOLR-WXHSDQCUSA-N 2 2 284.404 0.084 20 0 CCADLP CO[C@@H]([C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000581121349 336010951 /nfs/dbraw/zinc/01/09/51/336010951.db2.gz MPMLYNVSXYLOLR-WXHSDQCUSA-N 2 2 284.404 0.084 20 0 CCADLP C[N@@H+]1CCN(Cc2ccc3c[nH]nc3c2)[C@H](C[NH3+])C1 ZINC000581131150 336012646 /nfs/dbraw/zinc/01/26/46/336012646.db2.gz AELOZHABFLPEHI-CYBMUJFWSA-N 2 2 259.357 0.638 20 0 CCADLP C[N@H+]1CCN(Cc2ccc3c[nH]nc3c2)[C@H](C[NH3+])C1 ZINC000581131150 336012648 /nfs/dbraw/zinc/01/26/48/336012648.db2.gz AELOZHABFLPEHI-CYBMUJFWSA-N 2 2 259.357 0.638 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC[C@@H]2CCCCO2)[C@H](C[NH3+])C1 ZINC000581240646 336029462 /nfs/dbraw/zinc/02/94/62/336029462.db2.gz UKYXYZLKLLUROX-OLZOCXBDSA-N 2 2 284.404 0.230 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC[C@@H]2CCCCO2)[C@H](C[NH3+])C1 ZINC000581240646 336029464 /nfs/dbraw/zinc/02/94/64/336029464.db2.gz UKYXYZLKLLUROX-OLZOCXBDSA-N 2 2 284.404 0.230 20 0 CCADLP O=C([C@H]1CC[NH2+]1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000384747629 336130148 /nfs/dbraw/zinc/13/01/48/336130148.db2.gz LGERBDCRGBPXSF-CYBMUJFWSA-N 2 2 260.341 0.088 20 0 CCADLP O=C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)NC(=O)NC1CCCC1 ZINC000385011943 336135748 /nfs/dbraw/zinc/13/57/48/336135748.db2.gz TYIAJBMSDVXXEK-HNNXBMFYSA-N 2 2 294.399 0.440 20 0 CCADLP O=C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)NC(=O)NC1CCCC1 ZINC000385011943 336135749 /nfs/dbraw/zinc/13/57/49/336135749.db2.gz TYIAJBMSDVXXEK-HNNXBMFYSA-N 2 2 294.399 0.440 20 0 CCADLP CCOC(=O)CC[C@H](O)C[NH2+]CCn1cc[nH+]c1 ZINC000385484979 336148737 /nfs/dbraw/zinc/14/87/37/336148737.db2.gz AWQSYJBEONFWHD-NSHDSACASA-N 2 2 255.318 0.177 20 0 CCADLP CC[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000385585877 336151897 /nfs/dbraw/zinc/15/18/97/336151897.db2.gz AAZBUZYKHSWMHQ-HZSPNIEDSA-N 2 2 274.405 0.018 20 0 CCADLP CC[C@@H]1[C@@H](CO)CC[N@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000385585877 336151899 /nfs/dbraw/zinc/15/18/99/336151899.db2.gz AAZBUZYKHSWMHQ-HZSPNIEDSA-N 2 2 274.405 0.018 20 0 CCADLP CC[C@@H]1[C@@H](CO)CC[NH+]1C[C@@H](O)C[N@H+](C)CCOC ZINC000385585877 336151900 /nfs/dbraw/zinc/15/19/00/336151900.db2.gz AAZBUZYKHSWMHQ-HZSPNIEDSA-N 2 2 274.405 0.018 20 0 CCADLP CC[C@@H]1[C@@H](CO)CC[NH+]1C[C@@H](O)C[N@@H+](C)CCOC ZINC000385585877 336151901 /nfs/dbraw/zinc/15/19/01/336151901.db2.gz AAZBUZYKHSWMHQ-HZSPNIEDSA-N 2 2 274.405 0.018 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](CO)C1CCCC1 ZINC000386193003 336167929 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0.207 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC000961168754 649865600 /nfs/dbraw/zinc/86/56/00/649865600.db2.gz DNFKRLQZXGIYGZ-PJXYFTJBSA-N 2 2 266.320 0.207 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000405497538 545092524 /nfs/dbraw/zinc/09/25/24/545092524.db2.gz BKKUACPFUNECBK-BFHYXJOUSA-N 2 2 280.416 0.010 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000405497538 545092525 /nfs/dbraw/zinc/09/25/25/545092525.db2.gz BKKUACPFUNECBK-BFHYXJOUSA-N 2 2 280.416 0.010 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000417516680 545094121 /nfs/dbraw/zinc/09/41/21/545094121.db2.gz OIJKKDKCPBGHBU-FRRDWIJNSA-N 2 2 284.404 0.276 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000417516680 545094122 /nfs/dbraw/zinc/09/41/22/545094122.db2.gz OIJKKDKCPBGHBU-FRRDWIJNSA-N 2 2 284.404 0.276 20 0 CCADLP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2C[NH2+]CCO2)cn1 ZINC000423558979 533798053 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COC(=O)c1coc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000358303444 534315940 /nfs/dbraw/zinc/31/59/40/534315940.db2.gz SZTZXUQJEYFKOP-ZDUSSCGKSA-N 2 2 268.313 0.222 20 0 CCADLP CC(=O)NCC1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000312656248 534355692 /nfs/dbraw/zinc/35/56/92/534355692.db2.gz JXMGNLVYVULRDE-OAHLLOKOSA-N 2 2 283.416 0.290 20 0 CCADLP CC(=O)NCC1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000312656248 534355700 /nfs/dbraw/zinc/35/57/00/534355700.db2.gz JXMGNLVYVULRDE-OAHLLOKOSA-N 2 2 283.416 0.290 20 0 CCADLP CC[NH+](CC)C[C@@H](C)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000488401323 545098629 /nfs/dbraw/zinc/09/86/29/545098629.db2.gz URARAJPQKCAALN-SNVBAGLBSA-N 2 2 266.393 0.810 20 0 CCADLP CC(C)(C)CCNC(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359278126 518648521 /nfs/dbraw/zinc/64/85/21/518648521.db2.gz NOOKYIFMRDRZRJ-RYUDHWBXSA-N 2 2 253.390 0.690 20 0 CCADLP [NH3+]CCCNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000418317074 534613370 /nfs/dbraw/zinc/61/33/70/534613370.db2.gz YAGNUOQTDYNOEG-UHFFFAOYSA-N 2 2 266.345 0.456 20 0 CCADLP COCC[NH+]1CCC(Nc2nc[nH+]c3c2OCCN3)CC1 ZINC000665695002 545103361 /nfs/dbraw/zinc/10/33/61/545103361.db2.gz PPMASQJVLKTJSR-UHFFFAOYSA-N 2 2 293.371 0.804 20 0 CCADLP COCC[NH+]1CCC(Nc2[nH+]cnc3c2OCCN3)CC1 ZINC000665695002 545103362 /nfs/dbraw/zinc/10/33/62/545103362.db2.gz PPMASQJVLKTJSR-UHFFFAOYSA-N 2 2 293.371 0.804 20 0 CCADLP c1nc(N2CC[N@@H+]3CCC[C@H]3C2)c2c([nH+]1)NCCO2 ZINC000665699882 545103617 /nfs/dbraw/zinc/10/36/17/545103617.db2.gz PVYLHLNTOFYDAH-JTQLQIEISA-N 2 2 261.329 0.565 20 0 CCADLP c1nc(N2CC[N@H+]3CCC[C@H]3C2)c2c([nH+]1)NCCO2 ZINC000665699882 545103618 /nfs/dbraw/zinc/10/36/18/545103618.db2.gz PVYLHLNTOFYDAH-JTQLQIEISA-N 2 2 261.329 0.565 20 0 CCADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)C1C[NH2+]C1 ZINC000163834465 525982890 /nfs/dbraw/zinc/98/28/90/525982890.db2.gz KWVXAXFZISQYOL-LBPRGKRZSA-N 2 2 274.368 0.586 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH+](C)C ZINC000666244618 545117248 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XGSFRPITQSLJNI-IUCAKERBSA-N 2 2 264.320 0.314 20 0 CCADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C(C)(F)F ZINC000667654402 545152696 /nfs/dbraw/zinc/15/26/96/545152696.db2.gz XGSFRPITQSLJNI-IUCAKERBSA-N 2 2 264.320 0.314 20 0 CCADLP OCCOC1CC[NH+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667688463 545153576 /nfs/dbraw/zinc/15/35/76/545153576.db2.gz SWIQIYKDDOXAAC-UHFFFAOYSA-N 2 2 265.357 0.803 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667861821 545157722 /nfs/dbraw/zinc/15/77/22/545157722.db2.gz DKCUESXHDTWALP-BFHYXJOUSA-N 2 2 253.390 0.389 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667861821 545157723 /nfs/dbraw/zinc/15/77/23/545157723.db2.gz DKCUESXHDTWALP-BFHYXJOUSA-N 2 2 253.390 0.389 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000668220635 545167967 /nfs/dbraw/zinc/16/79/67/545167967.db2.gz XTEADLVKGYIFRH-CYBMUJFWSA-N 2 2 271.324 0.717 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000668220635 545167968 /nfs/dbraw/zinc/16/79/68/545167968.db2.gz XTEADLVKGYIFRH-CYBMUJFWSA-N 2 2 271.324 0.717 20 0 CCADLP c1cn(C[C@H]2CC[N@H+](Cc3c[nH+]c4n3CCC4)C2)nn1 ZINC000668454056 545178381 /nfs/dbraw/zinc/17/83/81/545178381.db2.gz WVZLKLDLILPTNL-LBPRGKRZSA-N 2 2 272.356 0.943 20 0 CCADLP c1cn(C[C@H]2CC[N@@H+](Cc3c[nH+]c4n3CCC4)C2)nn1 ZINC000668454056 545178382 /nfs/dbraw/zinc/17/83/82/545178382.db2.gz WVZLKLDLILPTNL-LBPRGKRZSA-N 2 2 272.356 0.943 20 0 CCADLP CCN(CC)C(=O)C[NH+]1CCN(CC[NH2+]C(C)(C)C)CC1 ZINC000414682015 528025047 /nfs/dbraw/zinc/02/50/47/528025047.db2.gz QLSQWKCAJUCZDF-UHFFFAOYSA-N 2 2 298.475 0.861 20 0 CCADLP CCn1c[nH+]cc1CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000669502144 545211026 /nfs/dbraw/zinc/21/10/26/545211026.db2.gz HRJIFYBQQPSOPE-CABCVRRESA-N 2 2 278.400 0.934 20 0 CCADLP Cc1cccn2cc(CCNC(=O)N[C@H](C)C[NH3+])[nH+]c12 ZINC000669511822 545211556 /nfs/dbraw/zinc/21/15/56/545211556.db2.gz HZRYFZWMJZEHGF-LLVKDONJSA-N 2 2 275.356 0.832 20 0 CCADLP C[C@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccncc1 ZINC000669519164 545212311 /nfs/dbraw/zinc/21/23/11/545212311.db2.gz WFXCALVLBBBVHF-OCCSQVGLSA-N 2 2 291.399 0.469 20 0 CCADLP C[C@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccncc1 ZINC000669519164 545212312 /nfs/dbraw/zinc/21/23/12/545212312.db2.gz WFXCALVLBBBVHF-OCCSQVGLSA-N 2 2 291.399 0.469 20 0 CCADLP CC(C)[C@@H](C[NH3+])C(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000423864870 528439436 /nfs/dbraw/zinc/43/94/36/528439436.db2.gz JQFONCYTGDIHCV-LSDHHAIUSA-N 2 2 297.443 0.787 20 0 CCADLP CC(C)[C@@H](C[NH3+])C(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000423864870 528439440 /nfs/dbraw/zinc/43/94/40/528439440.db2.gz JQFONCYTGDIHCV-LSDHHAIUSA-N 2 2 297.443 0.787 20 0 CCADLP CC(C)[C@@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)c1[nH]cc[nH+]1 ZINC000670240324 545231326 /nfs/dbraw/zinc/23/13/26/545231326.db2.gz QSWDVGDESVRKRC-QWHCGFSZSA-N 2 2 291.399 0.613 20 0 CCADLP CC(C)[C@@H](NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)c1[nH]cc[nH+]1 ZINC000670240324 545231327 /nfs/dbraw/zinc/23/13/27/545231327.db2.gz QSWDVGDESVRKRC-QWHCGFSZSA-N 2 2 291.399 0.613 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000424015918 528473339 /nfs/dbraw/zinc/47/33/39/528473339.db2.gz CYGPJMOCMWWXLR-ZIAGYGMSSA-N 2 2 299.415 0.064 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000424015918 528473341 /nfs/dbraw/zinc/47/33/41/528473341.db2.gz CYGPJMOCMWWXLR-ZIAGYGMSSA-N 2 2 299.415 0.064 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@H](C)CCC[NH3+] ZINC000423680501 528485169 /nfs/dbraw/zinc/48/51/69/528485169.db2.gz LIJCHUWBKLAQQZ-OLZOCXBDSA-N 2 2 271.405 0.731 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@H](C)CCC[NH3+] ZINC000423680501 528485174 /nfs/dbraw/zinc/48/51/74/528485174.db2.gz LIJCHUWBKLAQQZ-OLZOCXBDSA-N 2 2 271.405 0.731 20 0 CCADLP CCC[NH2+]CCNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418493142 528493237 /nfs/dbraw/zinc/49/32/37/528493237.db2.gz XFOMFDDFVRWOGS-BETUJISGSA-N 2 2 284.404 0.148 20 0 CCADLP CCC[NH2+]CCNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418493142 528493242 /nfs/dbraw/zinc/49/32/42/528493242.db2.gz XFOMFDDFVRWOGS-BETUJISGSA-N 2 2 284.404 0.148 20 0 CCADLP CCOC1CC([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)C1 ZINC000449398121 528510878 /nfs/dbraw/zinc/51/08/78/528510878.db2.gz WYTOPAOGWFXXLW-MOKVOYLWSA-N 2 2 256.390 0.990 20 0 CCADLP CCOC1CC([NH2+]C[C@@H]2CCCC[N@H+]2CCO)C1 ZINC000449398121 528510882 /nfs/dbraw/zinc/51/08/82/528510882.db2.gz WYTOPAOGWFXXLW-MOKVOYLWSA-N 2 2 256.390 0.990 20 0 CCADLP CCOC(=O)C[N@@H+]1CCCN(C(=O)CC[C@H](C)[NH3+])CC1 ZINC000423732804 528808020 /nfs/dbraw/zinc/80/80/20/528808020.db2.gz SZARAQZFIXZGSC-LBPRGKRZSA-N 2 2 285.388 0.211 20 0 CCADLP CCOC(=O)C[N@H+]1CCCN(C(=O)CC[C@H](C)[NH3+])CC1 ZINC000423732804 528808025 /nfs/dbraw/zinc/80/80/25/528808025.db2.gz SZARAQZFIXZGSC-LBPRGKRZSA-N 2 2 285.388 0.211 20 0 CCADLP CC[C@@H](C(=O)N[C@H]1CCc2c[nH+]cn2C1)[NH+](C)C ZINC000672147239 545262739 /nfs/dbraw/zinc/26/27/39/545262739.db2.gz IXHFUTSZXLBBBI-JQWIXIFHSA-N 2 2 250.346 0.654 20 0 CCADLP C[C@@H](C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C)[NH+](C)C ZINC000672209625 545264848 /nfs/dbraw/zinc/26/48/48/545264848.db2.gz TVENLPSZXBQVHJ-AGIUHOORSA-N 2 2 269.389 0.258 20 0 CCADLP CC(C)[C@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@H](C)[NH3+] ZINC000423449368 528917873 /nfs/dbraw/zinc/91/78/73/528917873.db2.gz WGVGKKCQOXXRGJ-ZFWWWQNUSA-N 3 2 298.475 0.748 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@@H](C)[NH2+]C1CC1)[NH+]1CCOCC1 ZINC000449075646 529007603 /nfs/dbraw/zinc/00/76/03/529007603.db2.gz NTYUPCSJBYKFMT-OCCSQVGLSA-N 2 2 283.416 0.600 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424330777 529132671 /nfs/dbraw/zinc/13/26/71/529132671.db2.gz IIGFKAUXQSAMBU-BFHYXJOUSA-N 3 2 282.432 0.399 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)N[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424330777 529132673 /nfs/dbraw/zinc/13/26/73/529132673.db2.gz IIGFKAUXQSAMBU-BFHYXJOUSA-N 2 2 282.432 0.399 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000673668348 545290744 /nfs/dbraw/zinc/29/07/44/545290744.db2.gz KPCXDHYJWPSTTD-LBPRGKRZSA-N 2 2 274.324 0.994 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000673668348 545290745 /nfs/dbraw/zinc/29/07/45/545290745.db2.gz KPCXDHYJWPSTTD-LBPRGKRZSA-N 2 2 274.324 0.994 20 0 CCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)Cn1cc[nH+]c1 ZINC000673672814 545290805 /nfs/dbraw/zinc/29/08/05/545290805.db2.gz NEQFGGUWDGZBRM-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP C[N@@H+]1CCC[C@H](N2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC000673672623 545291088 /nfs/dbraw/zinc/29/10/88/545291088.db2.gz HHISSRHBIPKRSK-AWEZNQCLSA-N 2 2 291.399 0.122 20 0 CCADLP C[N@H+]1CCC[C@H](N2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC000673672623 545291089 /nfs/dbraw/zinc/29/10/89/545291089.db2.gz HHISSRHBIPKRSK-AWEZNQCLSA-N 2 2 291.399 0.122 20 0 CCADLP CC[C@H](C[NH+]1CCN(C(=O)C[NH+](C)C)CC1)OC ZINC000419182871 529335501 /nfs/dbraw/zinc/33/55/01/529335501.db2.gz HYRZWCRCKLZWTB-GFCCVEGCSA-N 2 2 257.378 0.117 20 0 CCADLP Cn1c[nH+]cc1CN1CC[NH+](C(C)(C)CO)CC1 ZINC000674370604 545305279 /nfs/dbraw/zinc/30/52/79/545305279.db2.gz QASOIRZIYUEADX-UHFFFAOYSA-N 2 2 252.362 0.309 20 0 CCADLP CC(C)COC[C@H](O)C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422967789 535199612 /nfs/dbraw/zinc/19/96/12/535199612.db2.gz CNWVSNCRTPTNAM-KFWWJZLASA-N 2 2 286.416 0.377 20 0 CCADLP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+] ZINC000514924365 535240725 /nfs/dbraw/zinc/24/07/25/535240725.db2.gz FGMIGNSRFQGQGQ-KBPBESRZSA-N 3 2 299.463 0.391 20 0 CCADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+] ZINC000514924365 535240732 /nfs/dbraw/zinc/24/07/32/535240732.db2.gz FGMIGNSRFQGQGQ-KBPBESRZSA-N 3 2 299.463 0.391 20 0 CCADLP CCCC[NH+](C)C[C@H](C)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000514924365 535240735 /nfs/dbraw/zinc/24/07/35/535240735.db2.gz FGMIGNSRFQGQGQ-KBPBESRZSA-N 3 2 299.463 0.391 20 0 CCADLP CCCC[NH+](C)C[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000514924365 535240738 /nfs/dbraw/zinc/24/07/38/535240738.db2.gz FGMIGNSRFQGQGQ-KBPBESRZSA-N 3 2 299.463 0.391 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000349613483 535247284 /nfs/dbraw/zinc/24/72/84/535247284.db2.gz RPDNYXCTHSEIIT-ZDUSSCGKSA-N 2 2 299.415 0.424 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000349613483 535247290 /nfs/dbraw/zinc/24/72/90/535247290.db2.gz RPDNYXCTHSEIIT-ZDUSSCGKSA-N 2 2 299.415 0.424 20 0 CCADLP Cc1nc(NC[C@@H](C2CC2)[NH+](C)C)nc(N(C)C)[nH+]1 ZINC000675720631 545330579 /nfs/dbraw/zinc/33/05/79/545330579.db2.gz DWMZIFIMNBWHTN-NSHDSACASA-N 2 2 264.377 0.998 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)C[N@@H+]1C1CC1 ZINC000675747302 545331175 /nfs/dbraw/zinc/33/11/75/545331175.db2.gz XPBZYCUKMBYBBJ-VXGBXAGGSA-N 2 2 289.445 0.483 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)C[N@H+]1C1CC1 ZINC000675747302 545331176 /nfs/dbraw/zinc/33/11/76/545331176.db2.gz XPBZYCUKMBYBBJ-VXGBXAGGSA-N 2 2 289.445 0.483 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+]([C@@H]3CCCNC3=O)CC2)c1 ZINC000675960616 545332837 /nfs/dbraw/zinc/33/28/37/545332837.db2.gz YKHANCBLOWQECC-CYBMUJFWSA-N 2 2 290.367 0.491 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+]([C@H]3CCCNC3=O)CC2)c1 ZINC000675960617 545332959 /nfs/dbraw/zinc/33/29/59/545332959.db2.gz YKHANCBLOWQECC-ZDUSSCGKSA-N 2 2 290.367 0.491 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCCOC2)CC1 ZINC000675996305 545333570 /nfs/dbraw/zinc/33/35/70/545333570.db2.gz XXPSCVWBKYRIGY-KBPBESRZSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCCOC2)CC1 ZINC000675996305 545333571 /nfs/dbraw/zinc/33/35/71/545333571.db2.gz XXPSCVWBKYRIGY-KBPBESRZSA-N 2 2 281.400 0.404 20 0 CCADLP C[C@H](NC(=O)N[C@H]1CCC[N@H+](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000676244282 545337944 /nfs/dbraw/zinc/33/79/44/545337944.db2.gz ABRDSPFEOUVHTA-AVGNSLFASA-N 2 2 284.404 0.099 20 0 CCADLP C[C@H](NC(=O)N[C@H]1CCC[N@@H+](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000676244282 545337945 /nfs/dbraw/zinc/33/79/45/545337945.db2.gz ABRDSPFEOUVHTA-AVGNSLFASA-N 2 2 284.404 0.099 20 0 CCADLP C[C@H](NC(=O)N[C@H]1CCC[NH+](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000676244282 545337946 /nfs/dbraw/zinc/33/79/46/545337946.db2.gz ABRDSPFEOUVHTA-AVGNSLFASA-N 2 2 284.404 0.099 20 0 CCADLP C[C@H](NC(=O)N[C@H]1CCC[NH+](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676244282 545337947 /nfs/dbraw/zinc/33/79/47/545337947.db2.gz ABRDSPFEOUVHTA-AVGNSLFASA-N 2 2 284.404 0.099 20 0 CCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CC)C1 ZINC000342415911 535662239 /nfs/dbraw/zinc/66/22/39/535662239.db2.gz NZXVEXPPHWMVBS-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CC)C1 ZINC000342415911 535662241 /nfs/dbraw/zinc/66/22/41/535662241.db2.gz NZXVEXPPHWMVBS-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000677059682 545357491 /nfs/dbraw/zinc/35/74/91/545357491.db2.gz BGEHTECWRADMJM-OLZOCXBDSA-N 2 2 274.368 0.728 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000677059682 545357492 /nfs/dbraw/zinc/35/74/92/545357492.db2.gz BGEHTECWRADMJM-OLZOCXBDSA-N 2 2 274.368 0.728 20 0 CCADLP C[NH+](C)CCCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000677083417 545357789 /nfs/dbraw/zinc/35/77/89/545357789.db2.gz LUYSKWRWKFPTBC-CYBMUJFWSA-N 2 2 291.399 0.911 20 0 CCADLP C[C@@H](C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1)[NH+](C)C ZINC000677362679 545364155 /nfs/dbraw/zinc/36/41/55/545364155.db2.gz CNTZGURVGNKKJZ-WDEREUQCSA-N 2 2 250.346 0.686 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnco1 ZINC000677549582 545367983 /nfs/dbraw/zinc/36/79/83/545367983.db2.gz PAOWKWHIWFVFIF-UHFFFAOYSA-N 2 2 280.372 0.773 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnco1 ZINC000677549582 545367984 /nfs/dbraw/zinc/36/79/84/545367984.db2.gz PAOWKWHIWFVFIF-UHFFFAOYSA-N 2 2 280.372 0.773 20 0 CCADLP CCc1cccc(OCC[N@H+](CC[NH3+])CCO)c1 ZINC000342393305 535905598 /nfs/dbraw/zinc/90/55/98/535905598.db2.gz VTNPSOBHEUOEMZ-UHFFFAOYSA-N 2 2 252.358 0.881 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC2(CO)CC2)CC1 ZINC000677578965 545369053 /nfs/dbraw/zinc/36/90/53/545369053.db2.gz GQMQWNSXHWSRSL-UHFFFAOYSA-N 2 2 298.431 0.084 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1COCC[NH2+]1)c1ccsc1 ZINC000269230884 536135415 /nfs/dbraw/zinc/13/54/15/536135415.db2.gz IKDGDKUFDLNSMN-NWDGAFQWSA-N 2 2 283.397 0.455 20 0 CCADLP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261587053 536162968 /nfs/dbraw/zinc/16/29/68/536162968.db2.gz UUIOBEHHJGKJPP-CYDGBPFRSA-N 2 2 253.390 0.973 20 0 CCADLP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261587053 536162973 /nfs/dbraw/zinc/16/29/73/536162973.db2.gz UUIOBEHHJGKJPP-CYDGBPFRSA-N 2 2 253.390 0.973 20 0 CCADLP CNS(=O)(=O)[C@@H]1CC[N@H+](CCCc2c[nH+]ccc2C)C1 ZINC000372722419 536306520 /nfs/dbraw/zinc/30/65/20/536306520.db2.gz YYIHHNFAWBRSIE-CQSZACIVSA-N 2 2 297.424 0.946 20 0 CCADLP CNS(=O)(=O)[C@@H]1CC[N@@H+](CCCc2c[nH+]ccc2C)C1 ZINC000372722419 536306524 /nfs/dbraw/zinc/30/65/24/536306524.db2.gz YYIHHNFAWBRSIE-CQSZACIVSA-N 2 2 297.424 0.946 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N1CC[NH+](C(C)(C)CO)CC1 ZINC000678716927 545396453 /nfs/dbraw/zinc/39/64/53/545396453.db2.gz BVFODLWVMJJBAF-AWEZNQCLSA-N 2 2 285.432 0.096 20 0 CCADLP CC[N@@H+]1CCN([C@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000678718697 545396481 /nfs/dbraw/zinc/39/64/81/545396481.db2.gz MUZYDYKDNHKLTI-KGLIPLIRSA-N 2 2 255.406 0.733 20 0 CCADLP CC[N@H+]1CCN([C@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000678718697 545396482 /nfs/dbraw/zinc/39/64/82/545396482.db2.gz MUZYDYKDNHKLTI-KGLIPLIRSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1CC[NH+](C(C)(C)CO)CC1 ZINC000678716931 545396642 /nfs/dbraw/zinc/39/66/42/545396642.db2.gz BVFODLWVMJJBAF-CQSZACIVSA-N 2 2 285.432 0.096 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)C1CC[NH+](CCO)CC1 ZINC000343313676 536362889 /nfs/dbraw/zinc/36/28/89/536362889.db2.gz JJPRKYRZFJFSMT-UHFFFAOYSA-N 3 2 266.389 0.662 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)C1CC[NH+](CCO)CC1 ZINC000343313676 536362892 /nfs/dbraw/zinc/36/28/92/536362892.db2.gz JJPRKYRZFJFSMT-UHFFFAOYSA-N 3 2 266.389 0.662 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)C1CCN(CCO)CC1 ZINC000343313676 536362895 /nfs/dbraw/zinc/36/28/95/536362895.db2.gz JJPRKYRZFJFSMT-UHFFFAOYSA-N 2 2 266.389 0.662 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)C1CCN(CCO)CC1 ZINC000343313676 536362898 /nfs/dbraw/zinc/36/28/98/536362898.db2.gz JJPRKYRZFJFSMT-UHFFFAOYSA-N 2 2 266.389 0.662 20 0 CCADLP CNC(=O)c1ccc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C[NH3+])cc1 ZINC000359047837 536423652 /nfs/dbraw/zinc/42/36/52/536423652.db2.gz UUTYMGVSEXJNCF-CABCVRRESA-N 2 2 291.395 0.984 20 0 CCADLP CNC(=O)c1ccc(C[N@H+]2CC[C@H](OC)C[C@@H]2C[NH3+])cc1 ZINC000359047837 536423657 /nfs/dbraw/zinc/42/36/57/536423657.db2.gz UUTYMGVSEXJNCF-CABCVRRESA-N 2 2 291.395 0.984 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1F ZINC000679224445 545404024 /nfs/dbraw/zinc/40/40/24/545404024.db2.gz SQUNJBVIPKRPPZ-NEPJUHHUSA-N 2 2 257.353 0.440 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1F ZINC000679224445 545404025 /nfs/dbraw/zinc/40/40/25/545404025.db2.gz SQUNJBVIPKRPPZ-NEPJUHHUSA-N 2 2 257.353 0.440 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1F ZINC000679224449 545404327 /nfs/dbraw/zinc/40/43/27/545404327.db2.gz SQUNJBVIPKRPPZ-RYUDHWBXSA-N 2 2 257.353 0.440 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1F ZINC000679224449 545404328 /nfs/dbraw/zinc/40/43/28/545404328.db2.gz SQUNJBVIPKRPPZ-RYUDHWBXSA-N 2 2 257.353 0.440 20 0 CCADLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1cn(C)nn1 ZINC000680134248 545423333 /nfs/dbraw/zinc/42/33/33/545423333.db2.gz ZUJSTQLKATXFQW-UHFFFAOYSA-N 2 2 283.339 0.994 20 0 CCADLP Cc1csc([C@H](C)[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)n1 ZINC000680417250 545427885 /nfs/dbraw/zinc/42/78/85/545427885.db2.gz MGPXNHAIQNQVOO-STQMWFEESA-N 2 2 298.456 0.710 20 0 CCADLP COC[C@H]([NH3+])C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000262166464 536860587 /nfs/dbraw/zinc/86/05/87/536860587.db2.gz AISMGUSJXJBMHX-CRWXNKLISA-N 2 2 299.415 0.060 20 0 CCADLP COC[C@H]([NH3+])C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000262166464 536860593 /nfs/dbraw/zinc/86/05/93/536860593.db2.gz AISMGUSJXJBMHX-CRWXNKLISA-N 2 2 299.415 0.060 20 0 CCADLP Cc1nc(N2CC[N@H+](CCO)C(C)(C)C2)cc[nH+]1 ZINC000681991798 545468821 /nfs/dbraw/zinc/46/88/21/545468821.db2.gz DESBEOCSLJPJAB-UHFFFAOYSA-N 2 2 250.346 0.678 20 0 CCADLP Cc1nc(N2CC[N@@H+](CCO)C(C)(C)C2)cc[nH+]1 ZINC000681991798 545468822 /nfs/dbraw/zinc/46/88/22/545468822.db2.gz DESBEOCSLJPJAB-UHFFFAOYSA-N 2 2 250.346 0.678 20 0 CCADLP C[C@H]1C[N@H+](C)CCN1c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000682392667 545477968 /nfs/dbraw/zinc/47/79/68/545477968.db2.gz SHTFPOSTZWVLTK-JTQLQIEISA-N 2 2 273.344 0.385 20 0 CCADLP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000682502108 545481097 /nfs/dbraw/zinc/48/10/97/545481097.db2.gz HOWSCCCARIIGKX-OLZOCXBDSA-N 2 2 292.383 0.282 20 0 CCADLP CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000682502108 545481098 /nfs/dbraw/zinc/48/10/98/545481098.db2.gz HOWSCCCARIIGKX-OLZOCXBDSA-N 2 2 292.383 0.282 20 0 CCADLP COC1CC[NH+](CC[NH2+]CC2(OC)CCOCC2)CC1 ZINC000683203711 545499256 /nfs/dbraw/zinc/49/92/56/545499256.db2.gz GNBYRCTVJAPAJS-UHFFFAOYSA-N 2 2 286.416 0.882 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC000962405936 649899888 /nfs/dbraw/zinc/89/98/88/649899888.db2.gz NHQZAIHBJPKFND-JYAVWHMHSA-N 2 2 274.368 0.717 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC000962405936 649899889 /nfs/dbraw/zinc/89/98/89/649899889.db2.gz NHQZAIHBJPKFND-JYAVWHMHSA-N 2 2 274.368 0.717 20 0 CCADLP C[C@H]1NC(=O)N([C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000777651845 581128702 /nfs/dbraw/zinc/12/87/02/581128702.db2.gz GCTKZHRHWQQEBB-PWSUYJOCSA-N 2 2 280.372 0.095 20 0 CCADLP C[C@H]1NC(=O)N([C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000777651845 581128704 /nfs/dbraw/zinc/12/87/04/581128704.db2.gz GCTKZHRHWQQEBB-PWSUYJOCSA-N 2 2 280.372 0.095 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000779123754 581175363 /nfs/dbraw/zinc/17/53/63/581175363.db2.gz BXCCSUZBBLYMMG-ZDUSSCGKSA-N 2 2 294.399 0.497 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000779123754 581175365 /nfs/dbraw/zinc/17/53/65/581175365.db2.gz BXCCSUZBBLYMMG-ZDUSSCGKSA-N 2 2 294.399 0.497 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000726255686 581233585 /nfs/dbraw/zinc/23/35/85/581233585.db2.gz JIIBRBWDMSPRMD-OLZOCXBDSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000726255686 581233587 /nfs/dbraw/zinc/23/35/87/581233587.db2.gz JIIBRBWDMSPRMD-OLZOCXBDSA-N 2 2 286.420 0.347 20 0 CCADLP CC[NH+]1CCN(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000726254875 581234053 /nfs/dbraw/zinc/23/40/53/581234053.db2.gz IHGWUOFWMWGILA-CYBMUJFWSA-N 2 2 284.404 0.054 20 0 CCADLP CC[NH+]1CCN(C(=O)NCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000726254875 581234055 /nfs/dbraw/zinc/23/40/55/581234055.db2.gz IHGWUOFWMWGILA-CYBMUJFWSA-N 2 2 284.404 0.054 20 0 CCADLP CC[C@H](NC(=O)CC[NH+]1CCOCC1)c1[nH]cc[nH+]1 ZINC000781991498 581283870 /nfs/dbraw/zinc/28/38/70/581283870.db2.gz OKPVUFDXNQFPQE-NSHDSACASA-N 2 2 266.345 0.699 20 0 CCADLP OC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(F)c1 ZINC000782063972 581286910 /nfs/dbraw/zinc/28/69/10/581286910.db2.gz ZCTKZNXVOCGJBY-CABCVRRESA-N 2 2 282.359 0.905 20 0 CCADLP Cc1cc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)n(C)n1 ZINC000793553493 581303234 /nfs/dbraw/zinc/30/32/34/581303234.db2.gz NCLOWBSBENPWFQ-WCQYABFASA-N 2 2 252.362 0.446 20 0 CCADLP Cc1cc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)n(C)n1 ZINC000793553493 581303236 /nfs/dbraw/zinc/30/32/36/581303236.db2.gz NCLOWBSBENPWFQ-WCQYABFASA-N 2 2 252.362 0.446 20 0 CCADLP Cc1cc(NC[C@@H](C)[NH+]2CCN(C)CC2)nc(N)[nH+]1 ZINC000728710303 581368827 /nfs/dbraw/zinc/36/88/27/581368827.db2.gz UCDAXGAXPQEIRH-LLVKDONJSA-N 2 2 264.377 0.415 20 0 CCADLP CC1(C)C[N@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@]2(CCOC2)O1 ZINC000796558776 581443675 /nfs/dbraw/zinc/44/36/75/581443675.db2.gz JSTDAQKPWQPBNK-HOCLYGCPSA-N 2 2 298.427 0.713 20 0 CCADLP CC1(C)C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@]2(CCOC2)O1 ZINC000796558776 581443676 /nfs/dbraw/zinc/44/36/76/581443676.db2.gz JSTDAQKPWQPBNK-HOCLYGCPSA-N 2 2 298.427 0.713 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CCN1CC[NH+](CC[S@](C)=O)CC1 ZINC000767429188 581613563 /nfs/dbraw/zinc/61/35/63/581613563.db2.gz LUISEILNHDKVPA-KUHUBIRLSA-N 2 2 287.473 0.467 20 0 CCADLP C[N@H+]1CCC[C@@H]1CCN1CC[NH+](CC[S@](C)=O)CC1 ZINC000767429188 581613564 /nfs/dbraw/zinc/61/35/64/581613564.db2.gz LUISEILNHDKVPA-KUHUBIRLSA-N 2 2 287.473 0.467 20 0 CCADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CC[NH+]1CCOCC1 ZINC000768849151 581659319 /nfs/dbraw/zinc/65/93/19/581659319.db2.gz PNTZYTSOHVKELV-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CC[NH+]1CCOCC1 ZINC000768849151 581659322 /nfs/dbraw/zinc/65/93/22/581659322.db2.gz PNTZYTSOHVKELV-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CONC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000736649733 581809687 /nfs/dbraw/zinc/80/96/87/581809687.db2.gz JIQTVYNVYBIEQU-JTQLQIEISA-N 2 2 256.350 0.016 20 0 CCADLP CONC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000736649733 581809688 /nfs/dbraw/zinc/80/96/88/581809688.db2.gz JIQTVYNVYBIEQU-JTQLQIEISA-N 2 2 256.350 0.016 20 0 CCADLP O=C1CCCN1[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000732413019 581826702 /nfs/dbraw/zinc/82/67/02/581826702.db2.gz OJQRHOZUWSZLMA-CABCVRRESA-N 2 2 295.427 0.530 20 0 CCADLP O=C1CCCN1[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000732413019 581826703 /nfs/dbraw/zinc/82/67/03/581826703.db2.gz OJQRHOZUWSZLMA-CABCVRRESA-N 2 2 295.427 0.530 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000743857178 581827988 /nfs/dbraw/zinc/82/79/88/581827988.db2.gz OILUNLYEHUAUQJ-HZPDHXFCSA-N 2 2 297.443 0.240 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000743857178 581827989 /nfs/dbraw/zinc/82/79/89/581827989.db2.gz OILUNLYEHUAUQJ-HZPDHXFCSA-N 2 2 297.443 0.240 20 0 CCADLP O[C@@H](CN1CCC[C@@H]1C[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000743857178 581827993 /nfs/dbraw/zinc/82/79/93/581827993.db2.gz OILUNLYEHUAUQJ-HZPDHXFCSA-N 2 2 297.443 0.240 20 0 CCADLP Cc1cc(NC[C@H](O)C[NH+](C)C)nc(-c2ccncc2)[nH+]1 ZINC000732566210 581834701 /nfs/dbraw/zinc/83/47/01/581834701.db2.gz HWMMBNLUZBFQIL-ZDUSSCGKSA-N 2 2 287.367 0.603 20 0 CCADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCc1[nH]cc[nH+]1 ZINC000746692780 581922527 /nfs/dbraw/zinc/92/25/27/581922527.db2.gz ZOXWDTGCDBGDRO-CQSZACIVSA-N 2 2 294.399 0.862 20 0 CCADLP C[N@@H+]1CC[C@](O)(CNC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000762850788 581966483 /nfs/dbraw/zinc/96/64/83/581966483.db2.gz CWKFCPDMKSHKCN-AWEZNQCLSA-N 2 2 289.339 0.522 20 0 CCADLP C[N@H+]1CC[C@](O)(CNC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000762850788 581966485 /nfs/dbraw/zinc/96/64/85/581966485.db2.gz CWKFCPDMKSHKCN-AWEZNQCLSA-N 2 2 289.339 0.522 20 0 CCADLP C[NH+](C)C1(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CCC1 ZINC000763002593 581975828 /nfs/dbraw/zinc/97/58/28/581975828.db2.gz RGUYDIKZTYJXDL-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)OCCC[NH+]1CCOCC1 ZINC000750891402 582063404 /nfs/dbraw/zinc/06/34/04/582063404.db2.gz QIWYUXLDTIXATQ-CYBMUJFWSA-N 2 2 270.373 0.736 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)OCCC[NH+]1CCOCC1 ZINC000750891402 582063407 /nfs/dbraw/zinc/06/34/07/582063407.db2.gz QIWYUXLDTIXATQ-CYBMUJFWSA-N 2 2 270.373 0.736 20 0 CCADLP CC[C@](C)(O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000824956266 615958646 /nfs/dbraw/zinc/95/86/46/615958646.db2.gz FLGLEJHNRNLEFG-ZDUSSCGKSA-N 2 2 259.394 0.147 20 0 CCADLP CC[C@](C)(O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000824956266 615958647 /nfs/dbraw/zinc/95/86/47/615958647.db2.gz FLGLEJHNRNLEFG-ZDUSSCGKSA-N 2 2 259.394 0.147 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC1[C@H]2C[N@@H+](C/C=C\Cl)C[C@@H]12 ZINC000963013590 649907853 /nfs/dbraw/zinc/90/78/53/649907853.db2.gz DPVCMOGLVGKXQN-RNTBUYPDSA-N 2 2 280.759 0.682 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC1[C@H]2C[N@H+](C/C=C\Cl)C[C@@H]12 ZINC000963013590 649907855 /nfs/dbraw/zinc/90/78/55/649907855.db2.gz DPVCMOGLVGKXQN-RNTBUYPDSA-N 2 2 280.759 0.682 20 0 CCADLP C[C@@H]([NH3+])[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccccc1 ZINC000925696091 617178417 /nfs/dbraw/zinc/17/84/17/617178417.db2.gz ZIHWAPFRARZKHW-HIFRSBDPSA-N 3 2 262.401 0.570 20 0 CCADLP C[C@@H]([NH3+])[C@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1ccccc1 ZINC000925725570 617178342 /nfs/dbraw/zinc/17/83/42/617178342.db2.gz AMTNIHQIUCOEAG-YPMHNXCESA-N 2 2 299.440 0.979 20 0 CCADLP CC(C)(C[NH2+]CCS(C)(=O)=O)C[NH+]1CCCC1 ZINC000819259450 614110714 /nfs/dbraw/zinc/11/07/14/614110714.db2.gz JSXDTZQUCMPNHQ-UHFFFAOYSA-N 2 2 262.419 0.743 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000911828096 614118878 /nfs/dbraw/zinc/11/88/78/614118878.db2.gz YZPQYKJURIUPGL-MXWKQRLJSA-N 2 2 250.346 0.623 20 0 CCADLP CC(C)[C@H](O)CC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000878802694 614257112 /nfs/dbraw/zinc/25/71/12/614257112.db2.gz NQESNPNJPFASDQ-CYBMUJFWSA-N 2 2 271.405 0.099 20 0 CCADLP CC(C)[C@H](O)CC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000878802694 614257115 /nfs/dbraw/zinc/25/71/15/614257115.db2.gz NQESNPNJPFASDQ-CYBMUJFWSA-N 2 2 271.405 0.099 20 0 CCADLP CS[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH+](C)C ZINC000831300765 617268761 /nfs/dbraw/zinc/26/87/61/617268761.db2.gz VDAXVHTWOYCJDI-VHSXEESVSA-N 2 2 268.386 0.456 20 0 CCADLP COc1ccccc1[C@@H]([NH3+])CNC(=O)C[C@H]([NH3+])C(F)F ZINC000911663175 617317485 /nfs/dbraw/zinc/31/74/85/617317485.db2.gz CCNIIFPRMYEQRX-UWVGGRQHSA-N 2 2 287.310 0.794 20 0 CCADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000876755635 613210720 /nfs/dbraw/zinc/21/07/20/613210720.db2.gz LSMJOSUOWIKZSK-YKKZADONSA-N 2 2 295.427 0.624 20 0 CCADLP C/C=C\[C@H](O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900675034 613216896 /nfs/dbraw/zinc/21/68/96/613216896.db2.gz OLPGJXRTSTUXHQ-VFFUXOFRSA-N 2 2 281.400 0.208 20 0 CCADLP C/C=C\[C@H](O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900675034 613216899 /nfs/dbraw/zinc/21/68/99/613216899.db2.gz OLPGJXRTSTUXHQ-VFFUXOFRSA-N 2 2 281.400 0.208 20 0 CCADLP C(CN1CC[NH2+]CC1)[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903483465 613223725 /nfs/dbraw/zinc/22/37/25/613223725.db2.gz HHUUTSQNYQKZSK-ZDUSSCGKSA-N 3 2 252.406 0.156 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC([NH2+]C2CSC2)CC1 ZINC000877633920 613225672 /nfs/dbraw/zinc/22/56/72/613225672.db2.gz AJTZNZRFAFIFTL-UHFFFAOYSA-N 2 2 285.457 0.488 20 0 CCADLP C([C@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923530651 613225716 /nfs/dbraw/zinc/22/57/16/613225716.db2.gz LQLBXQALTAOWCU-UKRRQHHQSA-N 3 2 265.401 0.583 20 0 CCADLP C([C@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923530651 613225718 /nfs/dbraw/zinc/22/57/18/613225718.db2.gz LQLBXQALTAOWCU-UKRRQHHQSA-N 3 2 265.401 0.583 20 0 CCADLP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903872189 613226967 /nfs/dbraw/zinc/22/69/67/613226967.db2.gz WYOASWLPQBCBFG-SOUVJXGZSA-N 3 2 265.401 0.583 20 0 CCADLP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903872189 613226969 /nfs/dbraw/zinc/22/69/69/613226969.db2.gz WYOASWLPQBCBFG-SOUVJXGZSA-N 3 2 265.401 0.583 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC[C@@H]([NH2+][C@H]2CCCOC2)C1 ZINC000883369917 613228726 /nfs/dbraw/zinc/22/87/26/613228726.db2.gz CLOQNJJAJIDNRJ-CVEARBPZSA-N 2 2 297.443 0.552 20 0 CCADLP C([NH2+][C@@H]1C[NH2+]CCOC1)[C@@H]1C[C@H]1C1CCOCC1 ZINC000925733699 613228981 /nfs/dbraw/zinc/22/89/81/613228981.db2.gz LMWHNQRSTQPXAZ-MJBXVCDLSA-N 2 2 254.374 0.627 20 0 CCADLP C([NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261513 613229378 /nfs/dbraw/zinc/22/93/78/613229378.db2.gz PGHLFCUPFQRXOQ-DPZJBDQQSA-N 3 2 279.428 0.874 20 0 CCADLP C1CC1[C@@H]([NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)[C@@H]1C[NH2+]CCO1 ZINC000873238677 613230780 /nfs/dbraw/zinc/23/07/80/613230780.db2.gz DYZHEQUYSGZNSU-XZEYQLJZSA-N 2 2 278.396 0.766 20 0 CCADLP C/C(=C/C(=O)N1CC[C@H](C[NH+](C)C)C1)C[NH+]1CCOCC1 ZINC000900711872 613233074 /nfs/dbraw/zinc/23/30/74/613233074.db2.gz QWHHLOKKHZGHDV-BAAYTWLHSA-N 2 2 295.427 0.675 20 0 CCADLP C/C(=C/C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21)C[NH+]1CCOCC1 ZINC000908345284 613233326 /nfs/dbraw/zinc/23/33/26/613233326.db2.gz AVQXTVGYLRUDAV-MJBYGXEJSA-N 2 2 293.411 0.427 20 0 CCADLP C/C(=C/C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21)C[NH+]1CCOCC1 ZINC000908345284 613233327 /nfs/dbraw/zinc/23/33/27/613233327.db2.gz AVQXTVGYLRUDAV-MJBYGXEJSA-N 2 2 293.411 0.427 20 0 CCADLP C/C(=C/C(=O)NC12CC[NH+](CC1)C2)C[NH+]1CCOCC1 ZINC000913636140 613235339 /nfs/dbraw/zinc/23/53/39/613235339.db2.gz YIRPTSTWPWZGAD-RAXLEYEMSA-N 2 2 279.384 0.229 20 0 CCADLP C/C(=C\C(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C)C[NH+]1CCOCC1 ZINC000901287477 613254523 /nfs/dbraw/zinc/25/45/23/613254523.db2.gz QCWIHXGGLRYJDY-FQSSWDBKSA-N 2 2 295.427 0.816 20 0 CCADLP C/C(=C\C(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C)C[NH+]1CCOCC1 ZINC000901287477 613254525 /nfs/dbraw/zinc/25/45/25/613254525.db2.gz QCWIHXGGLRYJDY-FQSSWDBKSA-N 2 2 295.427 0.816 20 0 CCADLP CC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000860172923 613752487 /nfs/dbraw/zinc/75/24/87/613752487.db2.gz QRRSTFNJCGEMIT-LSDHHAIUSA-N 2 2 283.416 0.434 20 0 CCADLP CC(=O)NC[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000860172923 613752491 /nfs/dbraw/zinc/75/24/91/613752491.db2.gz QRRSTFNJCGEMIT-LSDHHAIUSA-N 2 2 283.416 0.434 20 0 CCADLP CC(C)(C)[N@@H+]1CCCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000865047497 613923832 /nfs/dbraw/zinc/92/38/32/613923832.db2.gz ONBIJIKBNFQTDF-GFCCVEGCSA-N 2 2 280.372 0.776 20 0 CCADLP CC(C)(C)[N@H+]1CCCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000865047497 613923835 /nfs/dbraw/zinc/92/38/35/613923835.db2.gz ONBIJIKBNFQTDF-GFCCVEGCSA-N 2 2 280.372 0.776 20 0 CCADLP CC(C)(C)[NH2+]CCC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000935661529 613954093 /nfs/dbraw/zinc/95/40/93/613954093.db2.gz JHACKZGHTDFIJA-UHFFFAOYSA-N 2 2 283.416 0.746 20 0 CCADLP CC(C)[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC000979426990 613965297 /nfs/dbraw/zinc/96/52/97/613965297.db2.gz GXHFZPFGTJCRRQ-RYUDHWBXSA-N 2 2 280.372 0.566 20 0 CCADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)C[C@H]1COCC[NH2+]1 ZINC000130141374 614021836 /nfs/dbraw/zinc/02/18/36/614021836.db2.gz XCCXIVOKNFMQFY-QWHCGFSZSA-N 2 2 294.399 0.793 20 0 CCADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1[nH]nc2c1COCC2 ZINC000903752620 614033070 /nfs/dbraw/zinc/03/30/70/614033070.db2.gz OLURPDBWQUEDPY-LBPRGKRZSA-N 2 2 252.362 0.945 20 0 CCADLP CC(C)(C)c1cc2n(n1)CC[N@H+](CCN1CC[NH2+]CC1)C2 ZINC000923438793 614048770 /nfs/dbraw/zinc/04/87/70/614048770.db2.gz FFGWYSREZKDRBX-UHFFFAOYSA-N 2 2 291.443 0.901 20 0 CCADLP CC(C)(C)c1cc2n(n1)CC[N@@H+](CCN1CC[NH2+]CC1)C2 ZINC000923438793 614048773 /nfs/dbraw/zinc/04/87/73/614048773.db2.gz FFGWYSREZKDRBX-UHFFFAOYSA-N 2 2 291.443 0.901 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ncoc2C[NH3+])C1 ZINC000884180162 614099929 /nfs/dbraw/zinc/09/99/29/614099929.db2.gz ONKIEYVYTLRBBY-LLVKDONJSA-N 2 2 296.371 0.220 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2ncoc2C[NH3+])C1 ZINC000884180162 614099931 /nfs/dbraw/zinc/09/99/31/614099931.db2.gz ONKIEYVYTLRBBY-LLVKDONJSA-N 2 2 296.371 0.220 20 0 CCADLP CC(C)COC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000923399079 614165616 /nfs/dbraw/zinc/16/56/16/614165616.db2.gz NXMAGDSTTAZSJF-QWHCGFSZSA-N 2 2 256.390 0.894 20 0 CCADLP CC(C)C[C@@H]([NH3+])C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000906092749 614192890 /nfs/dbraw/zinc/19/28/90/614192890.db2.gz BSBOXZRYUXTRDV-FRRDWIJNSA-N 2 2 271.405 0.585 20 0 CCADLP CC(C)C[C@@H]([NH3+])C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000906092749 614192893 /nfs/dbraw/zinc/19/28/93/614192893.db2.gz BSBOXZRYUXTRDV-FRRDWIJNSA-N 2 2 271.405 0.585 20 0 CCADLP CC(C)C[C@@H]([NH3+])C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000906092751 614192988 /nfs/dbraw/zinc/19/29/88/614192988.db2.gz BSBOXZRYUXTRDV-RWMBFGLXSA-N 2 2 271.405 0.585 20 0 CCADLP CC(C)C[C@@H]([NH3+])C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000906092751 614192990 /nfs/dbraw/zinc/19/29/90/614192990.db2.gz BSBOXZRYUXTRDV-RWMBFGLXSA-N 2 2 271.405 0.585 20 0 CCADLP CC(C)[C@H](C(=O)OCCC[NH+]1CCOCC1)[NH+](C)C ZINC000803495362 614193757 /nfs/dbraw/zinc/19/37/57/614193757.db2.gz OLUGLIKLFGHXQB-CYBMUJFWSA-N 2 2 272.389 0.838 20 0 CCADLP CC(C)(O)C[C@@H](O)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000872208322 614202476 /nfs/dbraw/zinc/20/24/76/614202476.db2.gz IHOGTYOHVFRRKO-VHSXEESVSA-N 2 2 253.346 0.379 20 0 CCADLP CC(C)(O)C[C@H](O)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000872208323 614206311 /nfs/dbraw/zinc/20/63/11/614206311.db2.gz IHOGTYOHVFRRKO-ZJUUUORDSA-N 2 2 253.346 0.379 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)NCc1c[nH+]cn1C ZINC000892038662 614215076 /nfs/dbraw/zinc/21/50/76/614215076.db2.gz ZCXBGNIPXHPDGC-SNVBAGLBSA-N 2 2 253.350 0.593 20 0 CCADLP CC(=O)[C@](C)(O)C[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931314372 614244536 /nfs/dbraw/zinc/24/45/36/614244536.db2.gz NARPEJDRFFEOAS-MGPQQGTHSA-N 2 2 254.374 0.600 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)CC[N@H+]1C ZINC000913761259 614270899 /nfs/dbraw/zinc/27/08/99/614270899.db2.gz FEWRGGIBMYZEOP-GUTXKFCHSA-N 2 2 283.416 0.240 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC[NH+]1C ZINC000913761259 614270900 /nfs/dbraw/zinc/27/09/00/614270900.db2.gz FEWRGGIBMYZEOP-GUTXKFCHSA-N 2 2 283.416 0.240 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC[NH+]1C ZINC000913761259 614270902 /nfs/dbraw/zinc/27/09/02/614270902.db2.gz FEWRGGIBMYZEOP-GUTXKFCHSA-N 2 2 283.416 0.240 20 0 CCADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)NCc1ccccn1 ZINC000844220701 614287436 /nfs/dbraw/zinc/28/74/36/614287436.db2.gz KESVHXHLGKRFIL-AWEZNQCLSA-N 2 2 264.373 0.661 20 0 CCADLP CC(C)c1[nH+]ccn1CCNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900677188 614328386 /nfs/dbraw/zinc/32/83/86/614328386.db2.gz BJBRPCYHUUWYKE-DOMZBBRYSA-N 2 2 294.399 0.578 20 0 CCADLP CC(C)c1[nH+]ccn1CCNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000900677188 614328387 /nfs/dbraw/zinc/32/83/87/614328387.db2.gz BJBRPCYHUUWYKE-DOMZBBRYSA-N 2 2 294.399 0.578 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000827911006 614340459 /nfs/dbraw/zinc/34/04/59/614340459.db2.gz OXTORTLTWOPKLA-UONOGXRCSA-N 2 2 291.399 0.755 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCC[NH+](C)C ZINC000824957588 614352633 /nfs/dbraw/zinc/35/26/33/614352633.db2.gz OJNLTSIYDZDKFR-HNNXBMFYSA-N 3 2 298.475 0.859 20 0 CCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCC[NH+](C)C ZINC000824957588 614352635 /nfs/dbraw/zinc/35/26/35/614352635.db2.gz OJNLTSIYDZDKFR-HNNXBMFYSA-N 3 2 298.475 0.859 20 0 CCADLP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000824957588 614352637 /nfs/dbraw/zinc/35/26/37/614352637.db2.gz OJNLTSIYDZDKFR-HNNXBMFYSA-N 3 2 298.475 0.859 20 0 CCADLP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000824957588 614352639 /nfs/dbraw/zinc/35/26/39/614352639.db2.gz OJNLTSIYDZDKFR-HNNXBMFYSA-N 3 2 298.475 0.859 20 0 CCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCF)C[C@H]32)C1 ZINC000961582089 614363627 /nfs/dbraw/zinc/36/36/27/614363627.db2.gz PNHGYMAEWCOWDY-RQJABVFESA-N 2 2 299.390 0.112 20 0 CCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCF)C[C@H]32)C1 ZINC000961582089 614363629 /nfs/dbraw/zinc/36/36/29/614363629.db2.gz PNHGYMAEWCOWDY-RQJABVFESA-N 2 2 299.390 0.112 20 0 CCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCF)C[C@H]32)C1 ZINC000961582089 614363632 /nfs/dbraw/zinc/36/36/32/614363632.db2.gz PNHGYMAEWCOWDY-RQJABVFESA-N 2 2 299.390 0.112 20 0 CCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCF)C[C@H]32)C1 ZINC000961582089 614363634 /nfs/dbraw/zinc/36/36/34/614363634.db2.gz PNHGYMAEWCOWDY-RQJABVFESA-N 2 2 299.390 0.112 20 0 CCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCF)C[C@H]32)C1 ZINC000961582087 614365863 /nfs/dbraw/zinc/36/58/63/614365863.db2.gz PNHGYMAEWCOWDY-RFQIPJPRSA-N 2 2 299.390 0.112 20 0 CCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CCF)C[C@H]32)C1 ZINC000961582087 614365866 /nfs/dbraw/zinc/36/58/66/614365866.db2.gz PNHGYMAEWCOWDY-RFQIPJPRSA-N 2 2 299.390 0.112 20 0 CCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CCF)C[C@H]32)C1 ZINC000961582087 614365870 /nfs/dbraw/zinc/36/58/70/614365870.db2.gz PNHGYMAEWCOWDY-RFQIPJPRSA-N 2 2 299.390 0.112 20 0 CCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CCF)C[C@H]32)C1 ZINC000961582087 614365872 /nfs/dbraw/zinc/36/58/72/614365872.db2.gz PNHGYMAEWCOWDY-RFQIPJPRSA-N 2 2 299.390 0.112 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000824290077 614370890 /nfs/dbraw/zinc/37/08/90/614370890.db2.gz KLEXZPCDAUFKDZ-NSHDSACASA-N 2 2 250.346 0.799 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000824290077 614370891 /nfs/dbraw/zinc/37/08/91/614370891.db2.gz KLEXZPCDAUFKDZ-NSHDSACASA-N 2 2 250.346 0.799 20 0 CCADLP CCCCOC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000842475249 614442585 /nfs/dbraw/zinc/44/25/85/614442585.db2.gz NRGUXKQUHFDLQW-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP CCCCOC(=O)[C@@H](C)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000842475249 614442586 /nfs/dbraw/zinc/44/25/86/614442586.db2.gz NRGUXKQUHFDLQW-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519108 614448121 /nfs/dbraw/zinc/44/81/21/614448121.db2.gz PKNYLBHYUVRPOX-UONOGXRCSA-N 2 2 283.416 0.461 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923519108 614448123 /nfs/dbraw/zinc/44/81/23/614448123.db2.gz PKNYLBHYUVRPOX-UONOGXRCSA-N 2 2 283.416 0.461 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CCF)C1 ZINC000898492801 614518746 /nfs/dbraw/zinc/51/87/46/614518746.db2.gz ZCUSICWNMHXMIM-LBPRGKRZSA-N 2 2 259.369 0.878 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](CCF)C1 ZINC000898492801 614518748 /nfs/dbraw/zinc/51/87/48/614518748.db2.gz ZCUSICWNMHXMIM-LBPRGKRZSA-N 2 2 259.369 0.878 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898492801 614518752 /nfs/dbraw/zinc/51/87/52/614518752.db2.gz ZCUSICWNMHXMIM-LBPRGKRZSA-N 2 2 259.369 0.878 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898492801 614518754 /nfs/dbraw/zinc/51/87/54/614518754.db2.gz ZCUSICWNMHXMIM-LBPRGKRZSA-N 2 2 259.369 0.878 20 0 CCADLP CCC(CC)(C[NH3+])NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876529676 614522613 /nfs/dbraw/zinc/52/26/13/614522613.db2.gz KAZNUVXUOIYCHP-WAYWQWQTSA-N 2 2 269.389 0.509 20 0 CCADLP CCCn1cc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)nn1 ZINC000865410746 614530140 /nfs/dbraw/zinc/53/01/40/614530140.db2.gz HGHNPSZKSTXXIL-UHFFFAOYSA-N 2 2 294.447 0.804 20 0 CCADLP CCCn1cc([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)nn1 ZINC000902793282 614539862 /nfs/dbraw/zinc/53/98/62/614539862.db2.gz GTTHTQLSNJWQQH-UONOGXRCSA-N 2 2 294.447 0.975 20 0 CCADLP CC1(C)CC[N@H+](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC000890071895 614542663 /nfs/dbraw/zinc/54/26/63/614542663.db2.gz IZADNQNEBVVMOV-UHFFFAOYSA-N 2 2 250.346 0.731 20 0 CCADLP CC1(C)CC[N@@H+](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC000890071895 614542667 /nfs/dbraw/zinc/54/26/67/614542667.db2.gz IZADNQNEBVVMOV-UHFFFAOYSA-N 2 2 250.346 0.731 20 0 CCADLP CCN(C(=O)/C=C(\C)C[NH+]1CCOCC1)[C@H]1CC[N@H+](C)C1 ZINC000912306978 614559554 /nfs/dbraw/zinc/55/95/54/614559554.db2.gz HKUMWJXMTYARFZ-GOFCXVBSSA-N 2 2 295.427 0.818 20 0 CCADLP CCN(C(=O)/C=C(\C)C[NH+]1CCOCC1)[C@H]1CC[N@@H+](C)C1 ZINC000912306978 614559558 /nfs/dbraw/zinc/55/95/58/614559558.db2.gz HKUMWJXMTYARFZ-GOFCXVBSSA-N 2 2 295.427 0.818 20 0 CCADLP CCN(C(=O)C12CCC[NH+]1CCC2)C1C[NH+](C[C@@H](C)O)C1 ZINC000950727835 614564887 /nfs/dbraw/zinc/56/48/87/614564887.db2.gz SRHUDPRJMKIPSC-CYBMUJFWSA-N 2 2 295.427 0.528 20 0 CCADLP CCC[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1CC[NH2+]C1 ZINC000923283862 614584725 /nfs/dbraw/zinc/58/47/25/614584725.db2.gz DODGYHWWBLVVHO-STQMWFEESA-N 3 2 253.390 0.439 20 0 CCADLP CCC[N@@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1CC[NH2+]C1 ZINC000923283862 614584726 /nfs/dbraw/zinc/58/47/26/614584726.db2.gz DODGYHWWBLVVHO-STQMWFEESA-N 3 2 253.390 0.439 20 0 CCADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1C[NH+](CCC2CC2)C1 ZINC000949830153 614635694 /nfs/dbraw/zinc/63/56/94/614635694.db2.gz DRFXLUBQSKUJOP-HNNXBMFYSA-N 2 2 295.427 0.650 20 0 CCADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1C[NH+](CCC2CC2)C1 ZINC000949830153 614635695 /nfs/dbraw/zinc/63/56/95/614635695.db2.gz DRFXLUBQSKUJOP-HNNXBMFYSA-N 2 2 295.427 0.650 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CCO1 ZINC000876747164 614655512 /nfs/dbraw/zinc/65/55/12/614655512.db2.gz XMJOXSNZRFUDIH-VXGBXAGGSA-N 2 2 287.379 0.161 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CCO1 ZINC000876747164 614655515 /nfs/dbraw/zinc/65/55/15/614655515.db2.gz XMJOXSNZRFUDIH-VXGBXAGGSA-N 2 2 287.379 0.161 20 0 CCADLP CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000884176746 614705262 /nfs/dbraw/zinc/70/52/62/614705262.db2.gz OMEOVYWXJNDDMX-CYBMUJFWSA-N 2 2 288.395 0.976 20 0 CCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H]1COC2(CCOCC2)O1 ZINC000925631462 614807052 /nfs/dbraw/zinc/80/70/52/614807052.db2.gz ZIYFAGNLOXAFEQ-RYUDHWBXSA-N 2 2 270.373 0.639 20 0 CCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC000925524774 614808878 /nfs/dbraw/zinc/80/88/78/614808878.db2.gz ZFKCYZJIBTWVHP-CYBMUJFWSA-N 2 2 277.368 0.781 20 0 CCADLP CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000980453508 614892339 /nfs/dbraw/zinc/89/23/39/614892339.db2.gz BHLWUUCGVQIUIM-HUUCEWRRSA-N 2 2 295.427 0.650 20 0 CCADLP CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000980453508 614892341 /nfs/dbraw/zinc/89/23/41/614892341.db2.gz BHLWUUCGVQIUIM-HUUCEWRRSA-N 2 2 295.427 0.650 20 0 CCADLP CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000971813915 614895169 /nfs/dbraw/zinc/89/51/69/614895169.db2.gz QTZPGFGGQOKROX-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000971813915 614895171 /nfs/dbraw/zinc/89/51/71/614895171.db2.gz QTZPGFGGQOKROX-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP CCCNc1cc(N2CC[N@@H+]3CCOC[C@@H]3C2)nc[nH+]1 ZINC000865676601 614921733 /nfs/dbraw/zinc/92/17/33/614921733.db2.gz OSAFPKMLCRXMOI-LBPRGKRZSA-N 2 2 277.372 0.819 20 0 CCADLP CCCNc1cc(N2CC[N@H+]3CCOC[C@@H]3C2)nc[nH+]1 ZINC000865676601 614921734 /nfs/dbraw/zinc/92/17/34/614921734.db2.gz OSAFPKMLCRXMOI-LBPRGKRZSA-N 2 2 277.372 0.819 20 0 CCADLP CC[N@H+](CC(=O)N[C@H](CO)c1c[nH+]cn1C)C1CC1 ZINC000898887212 614942648 /nfs/dbraw/zinc/94/26/48/614942648.db2.gz JOAUGVUTGDORIY-LLVKDONJSA-N 2 2 266.345 0.054 20 0 CCADLP CC[N@@H+](CC(=O)N[C@H](CO)c1c[nH+]cn1C)C1CC1 ZINC000898887212 614942652 /nfs/dbraw/zinc/94/26/52/614942652.db2.gz JOAUGVUTGDORIY-LLVKDONJSA-N 2 2 266.345 0.054 20 0 CCADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cnn(C)n2)C1 ZINC000809951889 614998770 /nfs/dbraw/zinc/99/87/70/614998770.db2.gz PYTZWNJPEPFNGU-CQSZACIVSA-N 2 2 281.404 0.748 20 0 CCADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cnn(C)n2)C1 ZINC000809951889 614998772 /nfs/dbraw/zinc/99/87/72/614998772.db2.gz PYTZWNJPEPFNGU-CQSZACIVSA-N 2 2 281.404 0.748 20 0 CCADLP CC[NH+](CC)[C@H](C)CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000867917159 615011081 /nfs/dbraw/zinc/01/10/81/615011081.db2.gz GCTVSLOVLZGZLJ-LMVHVUTASA-N 2 2 283.416 0.721 20 0 CCADLP CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)C(C)(C)C(=O)OC ZINC000933192899 615024750 /nfs/dbraw/zinc/02/47/50/615024750.db2.gz FMEDAJUHWGTGTJ-UHFFFAOYSA-N 2 2 299.415 0.424 20 0 CCADLP CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C(C)(C)C(=O)OC ZINC000933192899 615024752 /nfs/dbraw/zinc/02/47/52/615024752.db2.gz FMEDAJUHWGTGTJ-UHFFFAOYSA-N 2 2 299.415 0.424 20 0 CCADLP CC[NH+]1CC(N2CCN(C(=O)Cn3cc[nH+]c3C)CC2)C1 ZINC000941668080 615087096 /nfs/dbraw/zinc/08/70/96/615087096.db2.gz FSLKFDAJEBLZJS-UHFFFAOYSA-N 2 2 291.399 0.040 20 0 CCADLP CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC000979310626 615109986 /nfs/dbraw/zinc/10/99/86/615109986.db2.gz QVEMITCUUSQCRH-AAEUAGOBSA-N 2 2 280.372 0.568 20 0 CCADLP CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC000979310626 615109987 /nfs/dbraw/zinc/10/99/87/615109987.db2.gz QVEMITCUUSQCRH-AAEUAGOBSA-N 2 2 280.372 0.568 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898883399 615114686 /nfs/dbraw/zinc/11/46/86/615114686.db2.gz HPVCDKGXNOGZLM-RYUDHWBXSA-N 2 2 280.372 0.444 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898883399 615114688 /nfs/dbraw/zinc/11/46/88/615114688.db2.gz HPVCDKGXNOGZLM-RYUDHWBXSA-N 2 2 280.372 0.444 20 0 CCADLP CCO/C=C\C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855415389 615143217 /nfs/dbraw/zinc/14/32/17/615143217.db2.gz XFFOXKPLBHGNOJ-GHXNOFRVSA-N 2 2 257.378 0.536 20 0 CCADLP CCO/C=C\C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855415389 615143218 /nfs/dbraw/zinc/14/32/18/615143218.db2.gz XFFOXKPLBHGNOJ-GHXNOFRVSA-N 2 2 257.378 0.536 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccnn2C)CC1 ZINC000879683980 615152232 /nfs/dbraw/zinc/15/22/32/615152232.db2.gz DCEQCNKAWOAZIO-OLZOCXBDSA-N 2 2 293.415 0.623 20 0 CCADLP CCOC(=O)C1=CC[C@H]([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000863544593 615166273 /nfs/dbraw/zinc/16/62/73/615166273.db2.gz YZGYMJQICOTJIU-KKUMJFAQSA-N 2 2 294.395 0.995 20 0 CCADLP CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000972639390 615191168 /nfs/dbraw/zinc/19/11/68/615191168.db2.gz SJAOZDLPPXMNLU-OAHLLOKOSA-N 2 2 292.383 0.286 20 0 CCADLP CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000972639390 615191169 /nfs/dbraw/zinc/19/11/69/615191169.db2.gz SJAOZDLPPXMNLU-OAHLLOKOSA-N 2 2 292.383 0.286 20 0 CCADLP CCOC(=O)N1CCC([C@@H](C)[NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925644336 615226415 /nfs/dbraw/zinc/22/64/15/615226415.db2.gz LQLJGEAKYIZYAO-TZMCWYRMSA-N 2 2 299.415 0.821 20 0 CCADLP CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCO2)C1 ZINC000852751103 615229056 /nfs/dbraw/zinc/22/90/56/615229056.db2.gz PBWJQDFIRZMLPW-RDBSUJKOSA-N 2 2 299.415 0.821 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000883502544 615251392 /nfs/dbraw/zinc/25/13/92/615251392.db2.gz NMIIBKRWOLWSFO-LLVKDONJSA-N 2 2 294.403 0.380 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000883502544 615251395 /nfs/dbraw/zinc/25/13/95/615251395.db2.gz NMIIBKRWOLWSFO-LLVKDONJSA-N 2 2 294.403 0.380 20 0 CCADLP CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000977641251 615353248 /nfs/dbraw/zinc/35/32/48/615353248.db2.gz CJEVXJOVHILGFD-LLVKDONJSA-N 2 2 250.346 0.730 20 0 CCADLP CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000977641251 615353252 /nfs/dbraw/zinc/35/32/52/615353252.db2.gz CJEVXJOVHILGFD-LLVKDONJSA-N 2 2 250.346 0.730 20 0 CCADLP CC[C@@H](C(=O)N1CC[N@H+](C)[C@@H](CO)C1)[NH+](CC)CC ZINC000913548041 615371125 /nfs/dbraw/zinc/37/11/25/615371125.db2.gz BKGATIPNIODOPO-OLZOCXBDSA-N 2 2 271.405 0.242 20 0 CCADLP CC[C@@H](C(=O)N1CC[N@@H+](C)[C@@H](CO)C1)[NH+](CC)CC ZINC000913548041 615371127 /nfs/dbraw/zinc/37/11/27/615371127.db2.gz BKGATIPNIODOPO-OLZOCXBDSA-N 2 2 271.405 0.242 20 0 CCADLP CC[C@@H](C(=O)N1CC[NH2+]C[C@@H]1C)[N@@H+]1CCO[C@H](CC)C1 ZINC000911725542 615372490 /nfs/dbraw/zinc/37/24/90/615372490.db2.gz WGZHELBPDCFNMI-MJBXVCDLSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@@H](C(=O)N1CC[NH2+]C[C@@H]1C)[N@H+]1CCO[C@H](CC)C1 ZINC000911725542 615372493 /nfs/dbraw/zinc/37/24/93/615372493.db2.gz WGZHELBPDCFNMI-MJBXVCDLSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000866665386 615386290 /nfs/dbraw/zinc/38/62/90/615386290.db2.gz CLLJVCZBVGEDHZ-KGLIPLIRSA-N 2 2 279.384 0.964 20 0 CCADLP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000866665386 615386293 /nfs/dbraw/zinc/38/62/93/615386293.db2.gz CLLJVCZBVGEDHZ-KGLIPLIRSA-N 2 2 279.384 0.964 20 0 CCADLP CC[N@H+]1[C@H](C)CN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000880608443 615449836 /nfs/dbraw/zinc/44/98/36/615449836.db2.gz BSFPCXZHUYKDDQ-QLFBSQMISA-N 2 2 296.459 0.563 20 0 CCADLP CC[N@@H+]1[C@H](C)CN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000880608443 615449838 /nfs/dbraw/zinc/44/98/38/615449838.db2.gz BSFPCXZHUYKDDQ-QLFBSQMISA-N 2 2 296.459 0.563 20 0 CCADLP CC[C@@H](C[NH+]1CCN(C(=O)Cc2c[nH+]cn2C)CC1)OC ZINC000957331073 615476051 /nfs/dbraw/zinc/47/60/51/615476051.db2.gz WLRDJTLXIVWLLK-AWEZNQCLSA-N 2 2 294.399 0.532 20 0 CCADLP CC[C@@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1)OC ZINC000961896385 615481404 /nfs/dbraw/zinc/48/14/04/615481404.db2.gz UNGOMJZHOXIGIZ-RMRHIDDWSA-N 2 2 292.383 0.424 20 0 CCADLP CC[C@@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1)OC ZINC000961896385 615481406 /nfs/dbraw/zinc/48/14/06/615481406.db2.gz UNGOMJZHOXIGIZ-RMRHIDDWSA-N 2 2 292.383 0.424 20 0 CCADLP CCO[C@H](C[NH2+]C[C@H]1[C@@H](C(=O)OC)C1(F)F)C[NH+](C)C ZINC000896880778 615484106 /nfs/dbraw/zinc/48/41/06/615484106.db2.gz ZNYDXWZEURFVCG-VWYCJHECSA-N 2 2 294.342 0.597 20 0 CCADLP CCO[C@H](CNc1cc(NC)[nH+]cn1)C[NH+](C)C ZINC000896107717 615484656 /nfs/dbraw/zinc/48/46/56/615484656.db2.gz BCESUWYMDXODRD-SNVBAGLBSA-N 2 2 253.350 0.897 20 0 CCADLP CCO[C@H](CNc1cc(NC)nc[nH+]1)C[NH+](C)C ZINC000896107717 615484657 /nfs/dbraw/zinc/48/46/57/615484657.db2.gz BCESUWYMDXODRD-SNVBAGLBSA-N 2 2 253.350 0.897 20 0 CCADLP CC[C@@H](O)C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000905447334 615542387 /nfs/dbraw/zinc/54/23/87/615542387.db2.gz QIBDTTAHZXWYQK-LSDHHAIUSA-N 2 2 285.432 0.144 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)CC1([NH3+])CC1 ZINC000877434143 615566840 /nfs/dbraw/zinc/56/68/40/615566840.db2.gz NUANXXPASCHASI-LLVKDONJSA-N 2 2 255.362 0.095 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)CC1([NH3+])CC1 ZINC000877434143 615566841 /nfs/dbraw/zinc/56/68/41/615566841.db2.gz NUANXXPASCHASI-LLVKDONJSA-N 2 2 255.362 0.095 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C[NH2+]CC1CC1 ZINC000877433210 615567211 /nfs/dbraw/zinc/56/72/11/615567211.db2.gz MJVXNUFOMGZOKT-CYBMUJFWSA-N 2 2 269.389 0.213 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C[NH2+]CC1CC1 ZINC000877433210 615567212 /nfs/dbraw/zinc/56/72/12/615567212.db2.gz MJVXNUFOMGZOKT-CYBMUJFWSA-N 2 2 269.389 0.213 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C[NH+]1CCCC1 ZINC000874706971 615567224 /nfs/dbraw/zinc/56/72/24/615567224.db2.gz CHDWVROCWKSYBZ-CYBMUJFWSA-N 2 2 269.389 0.309 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C[NH+]1CCCC1 ZINC000874706971 615567225 /nfs/dbraw/zinc/56/72/25/615567225.db2.gz CHDWVROCWKSYBZ-CYBMUJFWSA-N 2 2 269.389 0.309 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)Cn1c[nH+]cc1C ZINC000874709489 615567371 /nfs/dbraw/zinc/56/73/71/615567371.db2.gz DOUZIHFWRKUFOA-CYBMUJFWSA-N 2 2 280.372 0.419 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)Cn1c[nH+]cc1C ZINC000874709489 615567372 /nfs/dbraw/zinc/56/73/72/615567372.db2.gz DOUZIHFWRKUFOA-CYBMUJFWSA-N 2 2 280.372 0.419 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000877435174 615568133 /nfs/dbraw/zinc/56/81/33/615568133.db2.gz YOTYLSWYZCKKRL-KGLIPLIRSA-N 2 2 295.427 0.603 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000877435174 615568134 /nfs/dbraw/zinc/56/81/34/615568134.db2.gz YOTYLSWYZCKKRL-KGLIPLIRSA-N 2 2 295.427 0.603 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000877433679 615568822 /nfs/dbraw/zinc/56/88/22/615568822.db2.gz HGIYSYFDKXGXMD-UMVBOHGHSA-N 2 2 281.400 0.213 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000877433679 615568823 /nfs/dbraw/zinc/56/88/23/615568823.db2.gz HGIYSYFDKXGXMD-UMVBOHGHSA-N 2 2 281.400 0.213 20 0 CCADLP CC[C@@H]1C[C@H](CN2CC[NH2+]CC[NH2+]CC2)CCO1 ZINC000904396003 615571518 /nfs/dbraw/zinc/57/15/18/615571518.db2.gz BJSDGZVRNLYTHC-ZIAGYGMSSA-N 2 2 255.406 0.686 20 0 CCADLP CCc1nc[nH]c1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000912387379 615765760 /nfs/dbraw/zinc/76/57/60/615765760.db2.gz OXGREXAPZIMUGW-UHFFFAOYSA-N 2 2 281.404 0.585 20 0 CCADLP CCc1nc[nH]c1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000912387379 615765761 /nfs/dbraw/zinc/76/57/61/615765761.db2.gz OXGREXAPZIMUGW-UHFFFAOYSA-N 2 2 281.404 0.585 20 0 CCADLP CC[C@H](O)c1cn(CC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000864647973 615844108 /nfs/dbraw/zinc/84/41/08/615844108.db2.gz ONXKEKCBKADTSL-ZDUSSCGKSA-N 2 2 269.393 0.605 20 0 CCADLP CC[C@H](O)c1cn(CC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000864647973 615844110 /nfs/dbraw/zinc/84/41/10/615844110.db2.gz ONXKEKCBKADTSL-ZDUSSCGKSA-N 2 2 269.393 0.605 20 0 CCADLP C[NH+](C)C1CCN(CC[NH2+][C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925529147 615856243 /nfs/dbraw/zinc/85/62/43/615856243.db2.gz BXYOTLUTUDNFGH-AWEZNQCLSA-N 3 2 268.449 0.743 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(n2cccn2)CC1 ZINC000824956287 615878918 /nfs/dbraw/zinc/87/89/18/615878918.db2.gz FZGGRXURGDEBHM-UHFFFAOYSA-N 2 2 293.415 0.372 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(n2cccn2)CC1 ZINC000824956287 615878921 /nfs/dbraw/zinc/87/89/21/615878921.db2.gz FZGGRXURGDEBHM-UHFFFAOYSA-N 2 2 293.415 0.372 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)c1ccnn1CC[NH+](C)C ZINC000907308474 615920985 /nfs/dbraw/zinc/92/09/85/615920985.db2.gz SMIPEFFFAXYJIR-UHFFFAOYSA-N 2 2 290.371 0.151 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000874710517 615927401 /nfs/dbraw/zinc/92/74/01/615927401.db2.gz JVVWYWBGQSUTDC-HZSPNIEDSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000874710517 615927404 /nfs/dbraw/zinc/92/74/04/615927404.db2.gz JVVWYWBGQSUTDC-HZSPNIEDSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@H]1COCC[NH+]1CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000874710517 615927407 /nfs/dbraw/zinc/92/74/07/615927407.db2.gz JVVWYWBGQSUTDC-HZSPNIEDSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@H]1COCC[NH+]1CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000874710517 615927409 /nfs/dbraw/zinc/92/74/09/615927409.db2.gz JVVWYWBGQSUTDC-HZSPNIEDSA-N 2 2 283.416 0.554 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCC(=O)N2CCCC2)C1 ZINC000878865989 615937617 /nfs/dbraw/zinc/93/76/17/615937617.db2.gz OZJKRTVOFSJRSN-HNNXBMFYSA-N 2 2 283.416 0.387 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCC(=O)N2CCCC2)C1 ZINC000878865989 615937620 /nfs/dbraw/zinc/93/76/20/615937620.db2.gz OZJKRTVOFSJRSN-HNNXBMFYSA-N 2 2 283.416 0.387 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@@H]2CCC(=O)O2)C1 ZINC000878866532 615952326 /nfs/dbraw/zinc/95/23/26/615952326.db2.gz UPAMGHTVWLWTNC-WCQYABFASA-N 2 2 256.346 0.081 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@@H]2CCC(=O)O2)C1 ZINC000878866532 615952329 /nfs/dbraw/zinc/95/23/29/615952329.db2.gz UPAMGHTVWLWTNC-WCQYABFASA-N 2 2 256.346 0.081 20 0 CCADLP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1C ZINC000924986076 615957177 /nfs/dbraw/zinc/95/71/77/615957177.db2.gz HERJKJQOQIDFCE-NWDGAFQWSA-N 2 2 297.424 0.605 20 0 CCADLP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1C ZINC000924986076 615957184 /nfs/dbraw/zinc/95/71/84/615957184.db2.gz HERJKJQOQIDFCE-NWDGAFQWSA-N 2 2 297.424 0.605 20 0 CCADLP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1C ZINC000924986110 615957393 /nfs/dbraw/zinc/95/73/93/615957393.db2.gz HERJKJQOQIDFCE-VXGBXAGGSA-N 2 2 297.424 0.605 20 0 CCADLP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1C[C@@H](O)C[N@H+]1C ZINC000924986110 615957395 /nfs/dbraw/zinc/95/73/95/615957395.db2.gz HERJKJQOQIDFCE-VXGBXAGGSA-N 2 2 297.424 0.605 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000866363184 615977994 /nfs/dbraw/zinc/97/79/94/615977994.db2.gz KEZVZJGVFNAGEN-FEGLDZKKSA-N 2 2 295.427 0.864 20 0 CCADLP C[NH+](C)[C@@H]1C[C@@H](NC(=O)/C=C/C[NH+]2CCOCC2)C1(C)C ZINC000824095439 615983119 /nfs/dbraw/zinc/98/31/19/615983119.db2.gz RUQUEMAMHAWTOF-QAMKJQMISA-N 2 2 295.427 0.720 20 0 CCADLP C[NH+](C)[C@@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1(C)C ZINC000824095041 615983427 /nfs/dbraw/zinc/98/34/27/615983427.db2.gz QAOFQXYMNHQKPI-NXEZZACHSA-N 2 2 250.346 0.797 20 0 CCADLP C[NH+](C)[C@@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC000864069729 615983639 /nfs/dbraw/zinc/98/36/39/615983639.db2.gz HDIZKIUDZIIYFS-VXGBXAGGSA-N 2 2 262.357 0.941 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H](O)COC3CCOCC3)C[C@H]21 ZINC000931279608 615997721 /nfs/dbraw/zinc/99/77/21/615997721.db2.gz LYUBLAXERLHLQZ-RZFFKMDDSA-N 2 2 284.400 0.035 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)COC3CCOCC3)C[C@H]21 ZINC000931279608 615997722 /nfs/dbraw/zinc/99/77/22/615997722.db2.gz LYUBLAXERLHLQZ-RZFFKMDDSA-N 2 2 284.400 0.035 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H](O)C[C@H](O)c3ccccc3)C[C@H]21 ZINC000931276364 615997890 /nfs/dbraw/zinc/99/78/90/615997890.db2.gz GENZKSZAFNBZMS-NRKLIOEPSA-N 2 2 290.407 0.963 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H](O)C[C@H](O)c3ccccc3)C[C@H]21 ZINC000931276364 615997892 /nfs/dbraw/zinc/99/78/92/615997892.db2.gz GENZKSZAFNBZMS-NRKLIOEPSA-N 2 2 290.407 0.963 20 0 CCADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)C[N@H+](C)CC(C)(C)C ZINC000898893000 616048538 /nfs/dbraw/zinc/04/85/38/616048538.db2.gz XDKMSIHLYDCBFE-NSHDSACASA-N 2 2 282.388 0.548 20 0 CCADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000898893000 616048539 /nfs/dbraw/zinc/04/85/39/616048539.db2.gz XDKMSIHLYDCBFE-NSHDSACASA-N 2 2 282.388 0.548 20 0 CCADLP CN(CCC[NH+]1CCCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC000907959195 616074516 /nfs/dbraw/zinc/07/45/16/616074516.db2.gz JRDYQSXOOMJSIO-UHFFFAOYSA-N 2 2 250.346 0.897 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]([N@H+](C)CCF)C1 ZINC000972725293 616077934 /nfs/dbraw/zinc/07/79/34/616077934.db2.gz VLMFPRAPRMCNNJ-LLVKDONJSA-N 2 2 268.336 0.465 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]([N@@H+](C)CCF)C1 ZINC000972725293 616077935 /nfs/dbraw/zinc/07/79/35/616077935.db2.gz VLMFPRAPRMCNNJ-LLVKDONJSA-N 2 2 268.336 0.465 20 0 CCADLP C[N@@H+](Cc1ccon1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903733206 616087664 /nfs/dbraw/zinc/08/76/64/616087664.db2.gz IYZLHMNIICFMIP-CHWSQXEVSA-N 2 2 251.330 0.875 20 0 CCADLP C[N@H+](Cc1ccon1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903733206 616087665 /nfs/dbraw/zinc/08/76/65/616087665.db2.gz IYZLHMNIICFMIP-CHWSQXEVSA-N 2 2 251.330 0.875 20 0 CCADLP C[N@H+](CCN1CC[NH2+]CC1)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904300090 616088554 /nfs/dbraw/zinc/08/85/54/616088554.db2.gz VXALCPQGWXSOIV-AWEZNQCLSA-N 3 2 270.465 0.977 20 0 CCADLP C[N@@H+](CCN1CC[NH2+]CC1)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904300090 616088556 /nfs/dbraw/zinc/08/85/56/616088556.db2.gz VXALCPQGWXSOIV-AWEZNQCLSA-N 3 2 270.465 0.977 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876878229 616089072 /nfs/dbraw/zinc/08/90/72/616089072.db2.gz VXXINVNGUKYJSQ-ISZGNANSSA-N 2 2 281.400 0.333 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)CC[NH2+]CC1CC1 ZINC000870880086 616089564 /nfs/dbraw/zinc/08/95/64/616089564.db2.gz WENLEFXJXRWGMU-UHFFFAOYSA-N 2 2 269.389 0.167 20 0 CCADLP CN(CC[N@H+](C)CCO)C(=O)c1cccc2[nH+]ccn21 ZINC000912606860 616101400 /nfs/dbraw/zinc/10/14/00/616101400.db2.gz HAPWUCPKBYYOQX-UHFFFAOYSA-N 2 2 276.340 0.330 20 0 CCADLP CN(CC[N@@H+](C)CCO)C(=O)c1cccc2[nH+]ccn21 ZINC000912606860 616101401 /nfs/dbraw/zinc/10/14/01/616101401.db2.gz HAPWUCPKBYYOQX-UHFFFAOYSA-N 2 2 276.340 0.330 20 0 CCADLP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000866115135 616122056 /nfs/dbraw/zinc/12/20/56/616122056.db2.gz PARZVDAYYGFEIW-AAEUAGOBSA-N 2 2 280.372 0.776 20 0 CCADLP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000866115135 616122058 /nfs/dbraw/zinc/12/20/58/616122058.db2.gz PARZVDAYYGFEIW-AAEUAGOBSA-N 2 2 280.372 0.776 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]C[C@H](O)Cc1ccc(F)cc1)C1CC1 ZINC000905476404 616149857 /nfs/dbraw/zinc/14/98/57/616149857.db2.gz ZMVUHIRTBBYCHT-HZPDHXFCSA-N 2 2 296.386 0.774 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@H](O)Cc1ccc(F)cc1)C1CC1 ZINC000905476404 616149858 /nfs/dbraw/zinc/14/98/58/616149858.db2.gz ZMVUHIRTBBYCHT-HZPDHXFCSA-N 2 2 296.386 0.774 20 0 CCADLP CN(CC1CC[NH+](C)CC1)C(=O)Cc1c[nH+]c[nH]1 ZINC000900574913 616168772 /nfs/dbraw/zinc/16/87/72/616168772.db2.gz PDGIQDRXTJBPBR-UHFFFAOYSA-N 2 2 250.346 0.752 20 0 CCADLP C[NH+]1CCC([C@@H]2CCN(C(=O)[C@H](O)c3c[nH+]c[nH]3)C2)CC1 ZINC000866976572 616176354 /nfs/dbraw/zinc/17/63/54/616176354.db2.gz FEIUBGZWBLIWMZ-TZMCWYRMSA-N 2 2 292.383 0.633 20 0 CCADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865894909 616187776 /nfs/dbraw/zinc/18/77/76/616187776.db2.gz QLBMAWUEFDFUCV-PWSUYJOCSA-N 2 2 266.345 0.243 20 0 CCADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865894909 616187777 /nfs/dbraw/zinc/18/77/77/616187777.db2.gz QLBMAWUEFDFUCV-PWSUYJOCSA-N 2 2 266.345 0.243 20 0 CCADLP C[N@@H+]1CCC[C@@H](NC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000865184231 616189380 /nfs/dbraw/zinc/18/93/80/616189380.db2.gz PSTFMDZUNNCPSX-MASHWEEQSA-N 2 2 267.373 0.085 20 0 CCADLP C[N@H+]1CCC[C@@H](NC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000865184231 616189381 /nfs/dbraw/zinc/18/93/81/616189381.db2.gz PSTFMDZUNNCPSX-MASHWEEQSA-N 2 2 267.373 0.085 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCOC2CC2)CC1 ZINC000929849727 616191766 /nfs/dbraw/zinc/19/17/66/616191766.db2.gz WTIQKHYSWPHLSC-CQSZACIVSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCOC2CC2)CC1 ZINC000929849727 616191767 /nfs/dbraw/zinc/19/17/67/616191767.db2.gz WTIQKHYSWPHLSC-CQSZACIVSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000908135503 616202653 /nfs/dbraw/zinc/20/26/53/616202653.db2.gz OPCUUMBKVOAVIM-SWLSCSKDSA-N 2 2 292.383 0.161 20 0 CCADLP C[N@H+]1CCC[C@@](O)(CC(=O)N[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000908135503 616202654 /nfs/dbraw/zinc/20/26/54/616202654.db2.gz OPCUUMBKVOAVIM-SWLSCSKDSA-N 2 2 292.383 0.161 20 0 CCADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865894905 616205020 /nfs/dbraw/zinc/20/50/20/616205020.db2.gz QLBMAWUEFDFUCV-CMPLNLGQSA-N 2 2 266.345 0.243 20 0 CCADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865894905 616205021 /nfs/dbraw/zinc/20/50/21/616205021.db2.gz QLBMAWUEFDFUCV-CMPLNLGQSA-N 2 2 266.345 0.243 20 0 CCADLP C[N@@H+]1CCC[C@H](N2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC000900724758 616206400 /nfs/dbraw/zinc/20/64/00/616206400.db2.gz CLTVWSNGJKOONF-AWEZNQCLSA-N 2 2 291.399 0.191 20 0 CCADLP C[N@H+]1CCC[C@H](N2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC000900724758 616206401 /nfs/dbraw/zinc/20/64/01/616206401.db2.gz CLTVWSNGJKOONF-AWEZNQCLSA-N 2 2 291.399 0.191 20 0 CCADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCC(=O)N1CCOCC1 ZINC000880132097 616216771 /nfs/dbraw/zinc/21/67/71/616216771.db2.gz NFSKEJSFPOLZDT-KGLIPLIRSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCC(=O)N1CCOCC1 ZINC000880132097 616216772 /nfs/dbraw/zinc/21/67/72/616216772.db2.gz NFSKEJSFPOLZDT-KGLIPLIRSA-N 2 2 281.400 0.404 20 0 CCADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCC(=O)N1CCOCC1 ZINC000880132097 616216773 /nfs/dbraw/zinc/21/67/73/616216773.db2.gz NFSKEJSFPOLZDT-KGLIPLIRSA-N 2 2 281.400 0.404 20 0 CCADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCC(=O)N1CCOCC1 ZINC000880132097 616216774 /nfs/dbraw/zinc/21/67/74/616216774.db2.gz NFSKEJSFPOLZDT-KGLIPLIRSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)C[C@H]1CO)CC(C)(C)C ZINC000912735760 616222997 /nfs/dbraw/zinc/22/29/97/616222997.db2.gz FWUSJYKBZLQBAN-LBPRGKRZSA-N 2 2 271.405 0.099 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)C[C@H]1CO)CC(C)(C)C ZINC000912735760 616222998 /nfs/dbraw/zinc/22/29/98/616222998.db2.gz FWUSJYKBZLQBAN-LBPRGKRZSA-N 2 2 271.405 0.099 20 0 CCADLP C[NH+](CC(=O)N1CC[N@H+](C)C[C@H]1CO)CC(C)(C)C ZINC000912735760 616222999 /nfs/dbraw/zinc/22/29/99/616222999.db2.gz FWUSJYKBZLQBAN-LBPRGKRZSA-N 2 2 271.405 0.099 20 0 CCADLP C[NH+](CC(=O)N1CC[N@@H+](C)C[C@H]1CO)CC(C)(C)C ZINC000912735760 616223000 /nfs/dbraw/zinc/22/30/00/616223000.db2.gz FWUSJYKBZLQBAN-LBPRGKRZSA-N 2 2 271.405 0.099 20 0 CCADLP Cn1cc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)c(C2CC2)n1 ZINC000892713652 616223517 /nfs/dbraw/zinc/22/35/17/616223517.db2.gz KLKQRXUAHAWTLJ-UHFFFAOYSA-N 2 2 291.399 0.161 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000866248569 616223599 /nfs/dbraw/zinc/22/35/99/616223599.db2.gz FEMJJDFXQTWANG-GDBMZVCRSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](c2ccccn2)C2CC2)CC1 ZINC000932381697 616223705 /nfs/dbraw/zinc/22/37/05/616223705.db2.gz ZTEZXSZCXGOOJP-MRXNPFEDSA-N 2 2 288.395 0.896 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cn2cc[nH+]c2)CCC1(C)C ZINC000871154065 616225233 /nfs/dbraw/zinc/22/52/33/616225233.db2.gz RBAONXBDTVPJEX-UHFFFAOYSA-N 2 2 250.346 0.826 20 0 CCADLP C[N@H+]1CCN(C(=O)Cn2cc[nH+]c2)CCC1(C)C ZINC000871154065 616225234 /nfs/dbraw/zinc/22/52/34/616225234.db2.gz RBAONXBDTVPJEX-UHFFFAOYSA-N 2 2 250.346 0.826 20 0 CCADLP C[NH+]1CCN(C2CC[NH+](CC(=O)N3CCCC3)CC2)CC1 ZINC000879590921 616239055 /nfs/dbraw/zinc/23/90/55/616239055.db2.gz HOSWFMRFOHARND-UHFFFAOYSA-N 2 2 294.443 0.321 20 0 CCADLP C[N@@H+]1CCN(C[C@@H]([NH3+])CCC(C)(C)C)[C@@H](C[NH3+])C1 ZINC000904350201 616243032 /nfs/dbraw/zinc/24/30/32/616243032.db2.gz IGFWCHDOBVBVKN-STQMWFEESA-N 3 2 256.438 0.715 20 0 CCADLP C[N@H+]1CCN(C[C@@H]([NH3+])CCC(C)(C)C)[C@@H](C[NH3+])C1 ZINC000904350201 616243033 /nfs/dbraw/zinc/24/30/33/616243033.db2.gz IGFWCHDOBVBVKN-STQMWFEESA-N 3 2 256.438 0.715 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000874838627 616258225 /nfs/dbraw/zinc/25/82/25/616258225.db2.gz QGEOFTHKYBUZKL-XQQFMLRXSA-N 2 2 267.373 0.012 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000874838627 616258226 /nfs/dbraw/zinc/25/82/26/616258226.db2.gz QGEOFTHKYBUZKL-XQQFMLRXSA-N 2 2 267.373 0.012 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)C1 ZINC000874838627 616258227 /nfs/dbraw/zinc/25/82/27/616258227.db2.gz QGEOFTHKYBUZKL-XQQFMLRXSA-N 2 2 267.373 0.012 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)C1 ZINC000874838627 616258228 /nfs/dbraw/zinc/25/82/28/616258228.db2.gz QGEOFTHKYBUZKL-XQQFMLRXSA-N 2 2 267.373 0.012 20 0 CCADLP CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC000913507445 616260883 /nfs/dbraw/zinc/26/08/83/616260883.db2.gz PDDDUOCMWLJTLK-QLFBSQMISA-N 2 2 295.427 0.792 20 0 CCADLP CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC000913507445 616260884 /nfs/dbraw/zinc/26/08/84/616260884.db2.gz PDDDUOCMWLJTLK-QLFBSQMISA-N 2 2 295.427 0.792 20 0 CCADLP CN(C[C@@H]1C[NH+](C)CCO1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000913507445 616260885 /nfs/dbraw/zinc/26/08/85/616260885.db2.gz PDDDUOCMWLJTLK-QLFBSQMISA-N 2 2 295.427 0.792 20 0 CCADLP CN(C[C@@H]1C[NH+](C)CCO1)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000913507445 616260886 /nfs/dbraw/zinc/26/08/86/616260886.db2.gz PDDDUOCMWLJTLK-QLFBSQMISA-N 2 2 295.427 0.792 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@@H]2C1 ZINC000844144032 616323445 /nfs/dbraw/zinc/32/34/45/616323445.db2.gz POWBGUWESQAEKW-MCIONIFRSA-N 2 2 288.395 0.856 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@@H]2C1 ZINC000844144032 616323449 /nfs/dbraw/zinc/32/34/49/616323449.db2.gz POWBGUWESQAEKW-MCIONIFRSA-N 2 2 288.395 0.856 20 0 CCADLP C[N@@H+]1C[C@]2(C)C[NH+](CCN3CCOC3=O)C[C@]2(C)C1 ZINC000931305819 616395367 /nfs/dbraw/zinc/39/53/67/616395367.db2.gz HNHHKBOOVDRURT-OKILXGFUSA-N 2 2 267.373 0.712 20 0 CCADLP C[N@H+]1C[C@]2(C)C[NH+](CCN3CCOC3=O)C[C@]2(C)C1 ZINC000931305819 616395373 /nfs/dbraw/zinc/39/53/73/616395373.db2.gz HNHHKBOOVDRURT-OKILXGFUSA-N 2 2 267.373 0.712 20 0 CCADLP C[NH+]1C[C@]2(C)C[N@H+](CCN3CCOC3=O)C[C@]2(C)C1 ZINC000931305819 616395376 /nfs/dbraw/zinc/39/53/76/616395376.db2.gz HNHHKBOOVDRURT-OKILXGFUSA-N 2 2 267.373 0.712 20 0 CCADLP C[NH+]1C[C@]2(C)C[N@@H+](CCN3CCOC3=O)C[C@]2(C)C1 ZINC000931305819 616395381 /nfs/dbraw/zinc/39/53/81/616395381.db2.gz HNHHKBOOVDRURT-OKILXGFUSA-N 2 2 267.373 0.712 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000947928464 616414814 /nfs/dbraw/zinc/41/48/14/616414814.db2.gz ATBDNUXWDNUXGJ-OLZOCXBDSA-N 2 2 294.399 0.578 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000947928464 616414816 /nfs/dbraw/zinc/41/48/16/616414816.db2.gz ATBDNUXWDNUXGJ-OLZOCXBDSA-N 2 2 294.399 0.578 20 0 CCADLP COC(=O)C1=CC[C@H]([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000863541953 616432683 /nfs/dbraw/zinc/43/26/83/616432683.db2.gz NSHLTXQUQUYLOB-IHRRRGAJSA-N 2 2 280.368 0.605 20 0 CCADLP COC(=O)C1=NO[C@@]2(CC[N@H+](CCn3cc[nH+]c3C)C2)C1 ZINC000879483762 616435997 /nfs/dbraw/zinc/43/59/97/616435997.db2.gz MEPOYSNZXJVVQE-AWEZNQCLSA-N 2 2 292.339 0.585 20 0 CCADLP COC(=O)C1=NO[C@@]2(CC[N@@H+](CCn3cc[nH+]c3C)C2)C1 ZINC000879483762 616436000 /nfs/dbraw/zinc/43/60/00/616436000.db2.gz MEPOYSNZXJVVQE-AWEZNQCLSA-N 2 2 292.339 0.585 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868624320 616439896 /nfs/dbraw/zinc/43/98/96/616439896.db2.gz QQNDPVCGUWIUJT-AAEUAGOBSA-N 2 2 277.372 0.656 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868624320 616439898 /nfs/dbraw/zinc/43/98/98/616439898.db2.gz QQNDPVCGUWIUJT-AAEUAGOBSA-N 2 2 277.372 0.656 20 0 CCADLP C[NH+]1C[C@]2(C)C[NH+](C[C@@H]3CCC(=O)O3)C[C@@]2(C)C1 ZINC000931314216 616513679 /nfs/dbraw/zinc/51/36/79/616513679.db2.gz KKBDQWOMQGZBCF-IACUBPJLSA-N 2 2 252.358 0.966 20 0 CCADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000870979196 616519883 /nfs/dbraw/zinc/51/98/83/616519883.db2.gz ICSDMIWBEFYTQF-UKRRQHHQSA-N 2 2 277.343 0.991 20 0 CCADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000870979196 616519887 /nfs/dbraw/zinc/51/98/87/616519887.db2.gz ICSDMIWBEFYTQF-UKRRQHHQSA-N 2 2 277.343 0.991 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2C[C@H](CO)C2)CC1 ZINC000897357885 616530217 /nfs/dbraw/zinc/53/02/17/616530217.db2.gz PHORDAVOSNPIFS-MQMHXKEQSA-N 2 2 284.400 0.765 20 0 CCADLP COC(=O)CCCc1nc(C[N@@H+]2CC[C@H](CC[NH3+])C2)no1 ZINC000923482042 616541620 /nfs/dbraw/zinc/54/16/20/616541620.db2.gz BWPDFZZUGHMVFI-NSHDSACASA-N 2 2 296.371 0.736 20 0 CCADLP COC(=O)CCCc1nc(C[N@H+]2CC[C@H](CC[NH3+])C2)no1 ZINC000923482042 616541625 /nfs/dbraw/zinc/54/16/25/616541625.db2.gz BWPDFZZUGHMVFI-NSHDSACASA-N 2 2 296.371 0.736 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000821555731 616554098 /nfs/dbraw/zinc/55/40/98/616554098.db2.gz BGKMSZMIHGGQGA-ZDUSSCGKSA-N 2 2 297.399 0.178 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000821555731 616554099 /nfs/dbraw/zinc/55/40/99/616554099.db2.gz BGKMSZMIHGGQGA-ZDUSSCGKSA-N 2 2 297.399 0.178 20 0 CCADLP CO[C@@H]1CCOC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000897890384 616672485 /nfs/dbraw/zinc/67/24/85/616672485.db2.gz PGHFCSXXHVKKEN-RBSFLKMASA-N 2 2 284.400 0.633 20 0 CCADLP CNC(=O)NC(=O)CC[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923534412 616695231 /nfs/dbraw/zinc/69/52/31/616695231.db2.gz RMOWUPNCLIUOLY-CYBMUJFWSA-N 2 2 268.361 0.050 20 0 CCADLP CNC(=O)NC(=O)CC[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923534412 616695232 /nfs/dbraw/zinc/69/52/32/616695232.db2.gz RMOWUPNCLIUOLY-CYBMUJFWSA-N 2 2 268.361 0.050 20 0 CCADLP COCC(COC)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000931067542 616724879 /nfs/dbraw/zinc/72/48/79/616724879.db2.gz VVVRPBGIMAPEPK-CQSZACIVSA-N 2 2 272.389 0.179 20 0 CCADLP COCC(COC)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000931067542 616724881 /nfs/dbraw/zinc/72/48/81/616724881.db2.gz VVVRPBGIMAPEPK-CQSZACIVSA-N 2 2 272.389 0.179 20 0 CCADLP COC(=O)[C@](C)(Cn1cccn1)[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000904477424 616751478 /nfs/dbraw/zinc/75/14/78/616751478.db2.gz WFYXLEFMDTVRHE-IPYPFGDCSA-N 2 2 294.399 0.793 20 0 CCADLP CNC(=O)NC[C@H]1CCCC[N@@H+]1CCc1c[nH+]cn1C ZINC000879337672 616759250 /nfs/dbraw/zinc/75/92/50/616759250.db2.gz HDBGJXJCQXZSAU-CYBMUJFWSA-N 2 2 279.388 0.746 20 0 CCADLP CNC(=O)NC[C@H]1CCCC[N@H+]1CCc1c[nH+]cn1C ZINC000879337672 616759257 /nfs/dbraw/zinc/75/92/57/616759257.db2.gz HDBGJXJCQXZSAU-CYBMUJFWSA-N 2 2 279.388 0.746 20 0 CCADLP COC(=O)N1CC([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000850198887 616806774 /nfs/dbraw/zinc/80/67/74/616806774.db2.gz NRIRJXUFMKBPER-UHFFFAOYSA-N 2 2 287.323 0.808 20 0 CCADLP COC(=O)N1CCC(C[NH2+][C@H]2C[NH2+]CCOC2)CC1 ZINC000925672738 616821552 /nfs/dbraw/zinc/82/15/52/616821552.db2.gz XFFGFDFIAJJGGI-LBPRGKRZSA-N 2 2 271.361 0.043 20 0 CCADLP COC(=O)N1CCC[C@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000817903659 616839435 /nfs/dbraw/zinc/83/94/35/616839435.db2.gz SGCPCUCFLXOMDE-SRVKXCTJSA-N 2 2 255.362 0.805 20 0 CCADLP CO[C@H]1C[C@H](C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000925734584 616845986 /nfs/dbraw/zinc/84/59/86/616845986.db2.gz AXNBPTQCQIZEAK-PYJNHQTQSA-N 2 2 254.374 0.768 20 0 CCADLP COCC[N@H+](C)CCC[NH2+]Cc1c2c(nn1C)CCOC2 ZINC000921525445 616955104 /nfs/dbraw/zinc/95/51/04/616955104.db2.gz YTDIAVZHRRLUDU-UHFFFAOYSA-N 2 2 296.415 0.551 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+]Cc1c2c(nn1C)CCOC2 ZINC000921525445 616955107 /nfs/dbraw/zinc/95/51/07/616955107.db2.gz YTDIAVZHRRLUDU-UHFFFAOYSA-N 2 2 296.415 0.551 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000933374386 616966527 /nfs/dbraw/zinc/96/65/27/616966527.db2.gz BENMVLFWYIOTHY-UONOGXRCSA-N 2 2 286.416 0.617 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000933374386 616966529 /nfs/dbraw/zinc/96/65/29/616966529.db2.gz BENMVLFWYIOTHY-UONOGXRCSA-N 2 2 286.416 0.617 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934766001 616966733 /nfs/dbraw/zinc/96/67/33/616966733.db2.gz AFOUEBTWUMAMTC-MCIONIFRSA-N 2 2 288.457 0.610 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934766001 616966735 /nfs/dbraw/zinc/96/67/35/616966735.db2.gz AFOUEBTWUMAMTC-MCIONIFRSA-N 2 2 288.457 0.610 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934766001 616966739 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COC[C@@](C)(O)c1cn(CC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000864646313 617031256 /nfs/dbraw/zinc/03/12/56/617031256.db2.gz ZJGUNNNIWVQJAT-CQSZACIVSA-N 2 2 299.419 0.016 20 0 CCADLP CNc1cc(N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)nc[nH+]1 ZINC000893373892 617057819 /nfs/dbraw/zinc/05/78/19/617057819.db2.gz KTKXVLOBNCUIDM-NSHDSACASA-N 2 2 279.388 0.800 20 0 CCADLP CNc1cc(N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)nc[nH+]1 ZINC000893373892 617057823 /nfs/dbraw/zinc/05/78/23/617057823.db2.gz KTKXVLOBNCUIDM-NSHDSACASA-N 2 2 279.388 0.800 20 0 CCADLP CNc1cc(NCCC[N@H+](C)CCOC)[nH+]cn1 ZINC000891806082 617059719 /nfs/dbraw/zinc/05/97/19/617059719.db2.gz WEKBHLUYIIJOAW-UHFFFAOYSA-N 2 2 253.350 0.899 20 0 CCADLP CNc1cc(NCCC[N@@H+](C)CCOC)[nH+]cn1 ZINC000891806082 617059723 /nfs/dbraw/zinc/05/97/23/617059723.db2.gz WEKBHLUYIIJOAW-UHFFFAOYSA-N 2 2 253.350 0.899 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000844187087 617082749 /nfs/dbraw/zinc/08/27/49/617082749.db2.gz AJGHZKPQHSHMKH-NSHDSACASA-N 2 2 293.358 0.538 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000844187087 617082751 /nfs/dbraw/zinc/08/27/51/617082751.db2.gz AJGHZKPQHSHMKH-NSHDSACASA-N 2 2 293.358 0.538 20 0 CCADLP CO[C@@H](C)C[NH+]1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000949091050 617153114 /nfs/dbraw/zinc/15/31/14/617153114.db2.gz AWFSAVMYPWBIES-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000884200184 617163714 /nfs/dbraw/zinc/16/37/14/617163714.db2.gz VZWJQRCPUMGAHR-ZDUSSCGKSA-N 2 2 263.341 0.092 20 0 CCADLP [NH3+][C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)C12CCC2 ZINC000925504659 625322312 /nfs/dbraw/zinc/32/23/12/625322312.db2.gz QWHYJKDJNLAZOL-ZIAGYGMSSA-N 3 2 267.417 0.693 20 0 CCADLP C[C@@H]1CN(c2nccn3c[nH+]cc23)CC[N@@H+]1CCO ZINC000893277998 625417204 /nfs/dbraw/zinc/41/72/04/625417204.db2.gz YKLNTBSHOYOYKA-LLVKDONJSA-N 2 2 261.329 0.232 20 0 CCADLP C[C@@H]1CN(c2nccn3c[nH+]cc23)CC[N@H+]1CCO ZINC000893277998 625417205 /nfs/dbraw/zinc/41/72/05/625417205.db2.gz YKLNTBSHOYOYKA-LLVKDONJSA-N 2 2 261.329 0.232 20 0 CCADLP c1nc2c([nH]1)C[C@H]([NH2+][C@H]1[C@@H]3[NH2+]C[C@H]4C[C@H]1C[C@H]34)CC2 ZINC000925668481 625488899 /nfs/dbraw/zinc/48/88/99/625488899.db2.gz HXCFZYXVVNXVPR-PQCHBEHCSA-N 2 2 258.369 0.853 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1c[nH+]cn1C ZINC000892078240 622567298 /nfs/dbraw/zinc/56/72/98/622567298.db2.gz NWDXZYCZZUBULK-MWLCHTKSSA-N 2 2 251.334 0.217 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000892161059 622623835 /nfs/dbraw/zinc/62/38/35/622623835.db2.gz ZCSZXYZMDDGWFV-LLVKDONJSA-N 2 2 265.361 0.752 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCCO2)C1 ZINC001022889652 622836922 /nfs/dbraw/zinc/83/69/22/622836922.db2.gz TYGULUUKKVPMEB-XQQFMLRXSA-N 2 2 292.383 0.758 20 0 CCADLP Cn1ccnc1C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001023158623 622932487 /nfs/dbraw/zinc/93/24/87/622932487.db2.gz AAKBWRNMRZFOQY-TXEJJXNPSA-N 2 2 288.355 0.054 20 0 CCADLP C[C@@H](CN[C@H]1C[NH2+]CCOC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000925701898 625635243 /nfs/dbraw/zinc/63/52/43/625635243.db2.gz HXPMXBXZDWBGAS-FQUUOJAGSA-N 2 2 271.405 0.062 20 0 CCADLP C[C@@H](CN[C@H]1C[NH2+]CCOC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000925701898 625635250 /nfs/dbraw/zinc/63/52/50/625635250.db2.gz HXPMXBXZDWBGAS-FQUUOJAGSA-N 2 2 271.405 0.062 20 0 CCADLP CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001024912821 623485568 /nfs/dbraw/zinc/48/55/68/623485568.db2.gz POMYDLUXYORBCS-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001024912821 623485578 /nfs/dbraw/zinc/48/55/78/623485578.db2.gz POMYDLUXYORBCS-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C[C@@H]1C[NH3+] ZINC000310938618 623603724 /nfs/dbraw/zinc/60/37/24/623603724.db2.gz WCLCXXHZHWZSGD-HZSPNIEDSA-N 3 2 255.406 0.360 20 0 CCADLP C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C[C@@H]1C[NH3+] ZINC000310938618 623603728 /nfs/dbraw/zinc/60/37/28/623603728.db2.gz WCLCXXHZHWZSGD-HZSPNIEDSA-N 3 2 255.406 0.360 20 0 CCADLP CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001026927650 625662637 /nfs/dbraw/zinc/66/26/37/625662637.db2.gz SPDSRXVTZRLBJD-OLZOCXBDSA-N 2 2 276.384 0.904 20 0 CCADLP Cn1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c(C2CC2)n1 ZINC000892670857 623654603 /nfs/dbraw/zinc/65/46/03/623654603.db2.gz YPXIAXRKGQDYKI-CQSZACIVSA-N 2 2 278.400 0.844 20 0 CCADLP NC(=O)C1CC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000926811685 623699993 /nfs/dbraw/zinc/69/99/93/623699993.db2.gz ZAHGPEDYCJFBCE-FIYWTHMPSA-N 2 2 251.374 0.857 20 0 CCADLP NC(=O)C1CC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000926811685 623699998 /nfs/dbraw/zinc/69/99/98/623699998.db2.gz ZAHGPEDYCJFBCE-FIYWTHMPSA-N 2 2 251.374 0.857 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@@H]([NH2+]CC2CC2)C1 ZINC000969437552 624503495 /nfs/dbraw/zinc/50/34/95/624503495.db2.gz YBYVDGAJGXFIAF-CYBMUJFWSA-N 2 2 276.384 0.953 20 0 CCADLP COc1nn(C)cc1C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000902453338 634389836 /nfs/dbraw/zinc/38/98/36/634389836.db2.gz AMMGQCVKMDKOIL-PWSUYJOCSA-N 2 2 268.361 0.285 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH2+]CCF)C1 ZINC000970012878 624572369 /nfs/dbraw/zinc/57/23/69/624572369.db2.gz HYWUSZDGCGXWMJ-IJLUTSLNSA-N 2 2 280.347 0.684 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC000970103962 624603014 /nfs/dbraw/zinc/60/30/14/624603014.db2.gz WEOFKJPJRSVSQX-TZMCWYRMSA-N 2 2 292.383 0.712 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000812875641 624641132 /nfs/dbraw/zinc/64/11/32/624641132.db2.gz AEOVWFFTCYRFIQ-KGLIPLIRSA-N 2 2 264.373 0.587 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000812875641 624641134 /nfs/dbraw/zinc/64/11/34/624641134.db2.gz AEOVWFFTCYRFIQ-KGLIPLIRSA-N 2 2 264.373 0.587 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC001021126824 624663010 /nfs/dbraw/zinc/66/30/10/624663010.db2.gz XXKPQGMFCZLIHM-IHRRRGAJSA-N 2 2 292.383 0.547 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001021437951 624732732 /nfs/dbraw/zinc/73/27/32/624732732.db2.gz LSCGODVKJYPZMV-YHWZYXNKSA-N 2 2 292.383 0.067 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001021437951 624732739 /nfs/dbraw/zinc/73/27/39/624732739.db2.gz LSCGODVKJYPZMV-YHWZYXNKSA-N 2 2 292.383 0.067 20 0 CCADLP Cc1ncccc1C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000970858305 624771582 /nfs/dbraw/zinc/77/15/82/624771582.db2.gz ZMXKFKZJQHFVQM-OAHLLOKOSA-N 2 2 299.378 0.977 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000891349810 624821770 /nfs/dbraw/zinc/82/17/70/624821770.db2.gz KDVCVCGIFUFZOK-IHRRRGAJSA-N 2 2 298.431 0.524 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1C[C@@H]([NH2+]CCF)C1 ZINC001022121462 624876340 /nfs/dbraw/zinc/87/63/40/624876340.db2.gz DEPZONZBOCRIFW-TXEJJXNPSA-N 2 2 294.374 0.968 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001022309276 624921156 /nfs/dbraw/zinc/92/11/56/624921156.db2.gz AQVOEQVGPMVVJM-LPWJVIDDSA-N 2 2 292.383 0.063 20 0 CCADLP Cc1nonc1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094072250 624999644 /nfs/dbraw/zinc/99/96/44/624999644.db2.gz PUJMLRZJKGOIHV-UHFFFAOYSA-N 2 2 254.334 0.708 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933963930 624999670 /nfs/dbraw/zinc/99/96/70/624999670.db2.gz JPXJSFVYXMEYHJ-UONOGXRCSA-N 2 2 265.357 0.842 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933963930 624999671 /nfs/dbraw/zinc/99/96/71/624999671.db2.gz JPXJSFVYXMEYHJ-UONOGXRCSA-N 2 2 265.357 0.842 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H](C[NH2+]Cc2ccon2)C1 ZINC001027091395 625729263 /nfs/dbraw/zinc/72/92/63/625729263.db2.gz LVDFBZBZJBMEBT-NSHDSACASA-N 2 2 289.339 0.579 20 0 CCADLP CC(C)[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC001027124682 625736066 /nfs/dbraw/zinc/73/60/66/625736066.db2.gz PVBMIBGZXDHNBI-CQSZACIVSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000903439980 634563828 /nfs/dbraw/zinc/56/38/28/634563828.db2.gz SARVYRVPZCJIFU-UTUOFQBUSA-N 2 2 260.403 0.208 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000903439980 634563835 /nfs/dbraw/zinc/56/38/35/634563835.db2.gz SARVYRVPZCJIFU-UTUOFQBUSA-N 2 2 260.403 0.208 20 0 CCADLP c1ccc([C@]23COC[C@H]2C[N@@H+](C[C@@H]2C[NH2+]CCO2)C3)cc1 ZINC000903490828 634587240 /nfs/dbraw/zinc/58/72/40/634587240.db2.gz JSKOCPLELYQCDN-IKGGRYGDSA-N 2 2 288.391 0.875 20 0 CCADLP c1ccc([C@]23COC[C@H]2C[N@H+](C[C@@H]2C[NH2+]CCO2)C3)cc1 ZINC000903490828 634587245 /nfs/dbraw/zinc/58/72/45/634587245.db2.gz JSKOCPLELYQCDN-IKGGRYGDSA-N 2 2 288.391 0.875 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903745250 634633765 /nfs/dbraw/zinc/63/37/65/634633765.db2.gz ACPWMWXPKYQNOJ-GJZGRUSLSA-N 3 2 294.443 0.272 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903745250 634633767 /nfs/dbraw/zinc/63/37/67/634633767.db2.gz ACPWMWXPKYQNOJ-GJZGRUSLSA-N 3 2 294.443 0.272 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000903751247 634635966 /nfs/dbraw/zinc/63/59/66/634635966.db2.gz HHBFSTRSFMFBAK-ARFHVFGLSA-N 3 2 281.444 0.907 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000903751247 634635970 /nfs/dbraw/zinc/63/59/70/634635970.db2.gz HHBFSTRSFMFBAK-ARFHVFGLSA-N 3 2 281.444 0.907 20 0 CCADLP Cn1ccnc1CN1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903752248 634636546 /nfs/dbraw/zinc/63/65/46/634636546.db2.gz LQJHRTUYODPOJV-OAHLLOKOSA-N 2 2 291.443 0.927 20 0 CCADLP FC(F)[C@@H]1C[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903780855 634650858 /nfs/dbraw/zinc/65/08/58/634650858.db2.gz MRYBKGKBCLIJQC-GVXVVHGQSA-N 2 2 276.327 0.721 20 0 CCADLP FC(F)[C@@H]1C[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903780855 634650861 /nfs/dbraw/zinc/65/08/61/634650861.db2.gz MRYBKGKBCLIJQC-GVXVVHGQSA-N 2 2 276.327 0.721 20 0 CCADLP c1cnc(N2CC[NH+](C[C@H]3CCCC[NH2+]C3)CC2)nn1 ZINC000903769343 634644946 /nfs/dbraw/zinc/64/49/46/634644946.db2.gz DHHKWRAFYLGTHE-ZDUSSCGKSA-N 2 2 276.388 0.383 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903805672 634656805 /nfs/dbraw/zinc/65/68/05/634656805.db2.gz RGTHRYVCRSGIAA-ZJIFWQFVSA-N 3 2 279.428 0.958 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903805672 634656809 /nfs/dbraw/zinc/65/68/09/634656809.db2.gz RGTHRYVCRSGIAA-ZJIFWQFVSA-N 3 2 279.428 0.958 20 0 CCADLP C[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)CC1=CCCOC1 ZINC000903932773 634692370 /nfs/dbraw/zinc/69/23/70/634692370.db2.gz GRSXKUZFTUHFMZ-AWEZNQCLSA-N 2 2 291.399 0.981 20 0 CCADLP C[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)CC1=CCCOC1 ZINC000903932773 634692379 /nfs/dbraw/zinc/69/23/79/634692379.db2.gz GRSXKUZFTUHFMZ-AWEZNQCLSA-N 2 2 291.399 0.981 20 0 CCADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCO[C@@H](CCF)C2)cnn1C ZINC000903934196 634692759 /nfs/dbraw/zinc/69/27/59/634692759.db2.gz DHOGRQJRUOHSOA-ZFWWWQNUSA-N 2 2 298.406 0.906 20 0 CCADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCO[C@@H](CCF)C2)cnn1C ZINC000903934196 634692762 /nfs/dbraw/zinc/69/27/62/634692762.db2.gz DHOGRQJRUOHSOA-ZFWWWQNUSA-N 2 2 298.406 0.906 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[NH2+]CCC(C)(C)[NH3+])cnn1C ZINC000903939804 634697498 /nfs/dbraw/zinc/69/74/98/634697498.db2.gz NDVVSXIJRAEETP-GFCCVEGCSA-N 3 2 267.421 0.563 20 0 CCADLP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)C1 ZINC000904429492 634746486 /nfs/dbraw/zinc/74/64/86/634746486.db2.gz JKKKHEHGSYUNBM-GDBMZVCRSA-N 3 2 294.443 0.402 20 0 CCADLP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)C1 ZINC000904429492 634746487 /nfs/dbraw/zinc/74/64/87/634746487.db2.gz JKKKHEHGSYUNBM-GDBMZVCRSA-N 3 2 294.443 0.402 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NCCCn2cc[nH+]c2)CC[N@@H+]1C ZINC000905149975 634809557 /nfs/dbraw/zinc/80/95/57/634809557.db2.gz VICMQKNDZCSRMN-VXGBXAGGSA-N 2 2 265.361 0.665 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NCCCn2cc[nH+]c2)CC[N@H+]1C ZINC000905149975 634809560 /nfs/dbraw/zinc/80/95/60/634809560.db2.gz VICMQKNDZCSRMN-VXGBXAGGSA-N 2 2 265.361 0.665 20 0 CCADLP c1c[nH+]c(N2CCN(c3nccn4c[nH+]cc34)CC2)[nH]1 ZINC000893521056 630749466 /nfs/dbraw/zinc/74/94/66/630749466.db2.gz VXUVEDZKVYOEGP-UHFFFAOYSA-N 2 2 269.312 0.779 20 0 CCADLP Cc1cc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)on1 ZINC001010369456 631350550 /nfs/dbraw/zinc/35/05/50/631350550.db2.gz KUCVVVIHFLPEPC-OCCSQVGLSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1cc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)on1 ZINC001010369456 631350555 /nfs/dbraw/zinc/35/05/55/631350555.db2.gz KUCVVVIHFLPEPC-OCCSQVGLSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)on1 ZINC001010369456 631350560 /nfs/dbraw/zinc/35/05/60/631350560.db2.gz KUCVVVIHFLPEPC-OCCSQVGLSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)on1 ZINC001010369456 631350568 /nfs/dbraw/zinc/35/05/68/631350568.db2.gz KUCVVVIHFLPEPC-OCCSQVGLSA-N 2 2 292.383 0.768 20 0 CCADLP C[C@@H]([NH2+]C[C@H](O)c1ccnn1C)[C@H]1CCCC[NH2+]1 ZINC000925891752 631436991 /nfs/dbraw/zinc/43/69/91/631436991.db2.gz XHLLPKDJQDTSLC-WZRBSPASSA-N 2 2 252.362 0.574 20 0 CCADLP Cc1ccnc(N)c1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000894200397 631588626 /nfs/dbraw/zinc/58/86/26/631588626.db2.gz LVJCFVZXTQOSTD-UHFFFAOYSA-N 2 2 278.400 0.909 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N2CC[C@@H]([NH2+]C[C@@H](C)O)C2)c[nH+]1 ZINC000969069454 650038111 /nfs/dbraw/zinc/03/81/11/650038111.db2.gz VUQPCDMDPMDZKV-CHWSQXEVSA-N 2 2 294.399 0.498 20 0 CCADLP C[C@H](CC[NH2+]Cc1ccc(S(N)(=O)=O)s1)[NH+](C)C ZINC000895291506 632047362 /nfs/dbraw/zinc/04/73/62/632047362.db2.gz FQBPBCLDHJRLNZ-SECBINFHSA-N 2 2 291.442 0.825 20 0 CCADLP c1ncc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)[nH]1 ZINC000895685279 632135221 /nfs/dbraw/zinc/13/52/21/632135221.db2.gz LBMBCLKXZDWEJJ-AWEZNQCLSA-N 2 2 293.415 0.296 20 0 CCADLP C[C@H](O)C[N@H+](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000985717196 632626824 /nfs/dbraw/zinc/62/68/24/632626824.db2.gz JSEBCZZGKQOESV-NSHDSACASA-N 2 2 280.372 0.256 20 0 CCADLP C[C@H](O)C[N@@H+](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000985717196 632626830 /nfs/dbraw/zinc/62/68/30/632626830.db2.gz JSEBCZZGKQOESV-NSHDSACASA-N 2 2 280.372 0.256 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CCC[N@H+](CCO)C2)c[nH+]1 ZINC001007599123 650085890 /nfs/dbraw/zinc/08/58/90/650085890.db2.gz ZHKIIHCCYLUDJI-ZDUSSCGKSA-N 2 2 294.399 0.500 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@H]2CCC[N@@H+](CCO)C2)c[nH+]1 ZINC001007599123 650085893 /nfs/dbraw/zinc/08/58/93/650085893.db2.gz ZHKIIHCCYLUDJI-ZDUSSCGKSA-N 2 2 294.399 0.500 20 0 CCADLP CCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000987349678 632859830 /nfs/dbraw/zinc/85/98/30/632859830.db2.gz WRUASCARDJKOIR-WCQYABFASA-N 2 2 264.373 0.952 20 0 CCADLP CCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000987609589 632885559 /nfs/dbraw/zinc/88/55/59/632885559.db2.gz KOTCKHFOLVOWCE-VXGBXAGGSA-N 2 2 250.346 0.872 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N1C[C@@H]([NH2+]CCO)C[C@@H]1C ZINC000989046440 633141069 /nfs/dbraw/zinc/14/10/69/633141069.db2.gz NNFCKRXJMCCTMU-AAEUAGOBSA-N 2 2 293.367 0.204 20 0 CCADLP CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC000989678024 633343252 /nfs/dbraw/zinc/34/32/52/633343252.db2.gz BZSFKPRDWQQHRR-NEPJUHHUSA-N 2 2 264.373 0.952 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]Cc2cnon2)CN1C(=O)C[NH+]1CCCC1 ZINC000989799055 633356364 /nfs/dbraw/zinc/35/63/64/633356364.db2.gz IZOLYXAAVXZLEC-VXGBXAGGSA-N 2 2 293.371 0.244 20 0 CCADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC([NH+]2CCCC2)C1 ZINC000898600931 633630126 /nfs/dbraw/zinc/63/01/26/633630126.db2.gz HSPPXYMWCSWGRG-LBPRGKRZSA-N 2 2 274.368 0.752 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000899248847 633771891 /nfs/dbraw/zinc/77/18/91/633771891.db2.gz RCHYRCVDXUYXCW-GHMZBOCLSA-N 2 2 265.361 0.569 20 0 CCADLP O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N1CC[NH+](CCO)CC1 ZINC000900147285 633954887 /nfs/dbraw/zinc/95/48/87/633954887.db2.gz KAAFILJXDXQAJU-KGLIPLIRSA-N 2 2 281.400 0.140 20 0 CCADLP O=C([C@@H]1CC[C@H]2CCCC[N@H+]21)N1CC[NH+](CCO)CC1 ZINC000900147285 633954893 /nfs/dbraw/zinc/95/48/93/633954893.db2.gz KAAFILJXDXQAJU-KGLIPLIRSA-N 2 2 281.400 0.140 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH+]1CCCC1 ZINC000900272257 633984570 /nfs/dbraw/zinc/98/45/70/633984570.db2.gz KJVZGUFFLPLKPB-NSHDSACASA-N 2 2 250.346 0.800 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000900599395 634050469 /nfs/dbraw/zinc/05/04/69/634050469.db2.gz CIRLBIBJJKDDGB-OLZOCXBDSA-N 2 2 278.356 0.010 20 0 CCADLP C[C@H]1CO[C@@H](C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000900692650 634071799 /nfs/dbraw/zinc/07/17/99/634071799.db2.gz IWEHWXZBTCMSLJ-UKRRQHHQSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@H]1CO[C@@H](C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000900692650 634071805 /nfs/dbraw/zinc/07/18/05/634071805.db2.gz IWEHWXZBTCMSLJ-UKRRQHHQSA-N 2 2 297.443 0.896 20 0 CCADLP C/C(=C\C(=O)N(C)[C@@H]1CCC[N@H+](C)C1)C[NH+]1CCOCC1 ZINC000900832449 634103244 /nfs/dbraw/zinc/10/32/44/634103244.db2.gz SHNUCRHMPMKGNX-ATGUSINASA-N 2 2 295.427 0.818 20 0 CCADLP C/C(=C\C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)C[NH+]1CCOCC1 ZINC000900832449 634103249 /nfs/dbraw/zinc/10/32/49/634103249.db2.gz SHNUCRHMPMKGNX-ATGUSINASA-N 2 2 295.427 0.818 20 0 CCADLP O=C(CNc1cccc[nH+]1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000901132355 634197165 /nfs/dbraw/zinc/19/71/65/634197165.db2.gz DCEOODABRHCRBU-ZDUSSCGKSA-N 2 2 292.383 0.457 20 0 CCADLP Cn1c[nH+]cc1Cc1nc(CC2CC[NH2+]CC2)no1 ZINC000905311562 634841938 /nfs/dbraw/zinc/84/19/38/634841938.db2.gz XGYHBPGHCKUWDJ-UHFFFAOYSA-N 2 2 261.329 0.936 20 0 CCADLP C[C@@H]1CN(C(=O)CNc2cccc[nH+]2)[C@@H](C)C[N@@H+]1CCO ZINC000910930656 635855100 /nfs/dbraw/zinc/85/51/00/635855100.db2.gz LLBGNMLKALRHGR-OLZOCXBDSA-N 2 2 292.383 0.407 20 0 CCADLP C[C@@H]1CN(C(=O)CNc2cccc[nH+]2)[C@@H](C)C[N@H+]1CCO ZINC000910930656 635855107 /nfs/dbraw/zinc/85/51/07/635855107.db2.gz LLBGNMLKALRHGR-OLZOCXBDSA-N 2 2 292.383 0.407 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000911712478 636346503 /nfs/dbraw/zinc/34/65/03/636346503.db2.gz BVWPNDAJXZYCQN-MNOVXSKESA-N 2 2 250.346 0.847 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000911712478 636346508 /nfs/dbraw/zinc/34/65/08/636346508.db2.gz BVWPNDAJXZYCQN-MNOVXSKESA-N 2 2 250.346 0.847 20 0 CCADLP O=C(NC[C@H]1CCC[NH2+]C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000911703882 636356607 /nfs/dbraw/zinc/35/66/07/636356607.db2.gz MSGRIIBXESSCBT-NWDGAFQWSA-N 2 2 262.357 0.561 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000911704450 636356869 /nfs/dbraw/zinc/35/68/69/636356869.db2.gz TYAMTLWSGRRBHP-MNOVXSKESA-N 2 2 250.346 0.704 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000911704450 636356874 /nfs/dbraw/zinc/35/68/74/636356874.db2.gz TYAMTLWSGRRBHP-MNOVXSKESA-N 2 2 250.346 0.704 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H](C)[NH2+]1 ZINC000911793851 636386304 /nfs/dbraw/zinc/38/63/04/636386304.db2.gz DCJMUOLTVYWXFT-GRYCIOLGSA-N 2 2 262.357 0.654 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000911801269 636394202 /nfs/dbraw/zinc/39/42/02/636394202.db2.gz ASKFTHIJAVVZFX-TVQRCGJNSA-N 2 2 250.346 0.832 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000911801269 636394211 /nfs/dbraw/zinc/39/42/11/636394211.db2.gz ASKFTHIJAVVZFX-TVQRCGJNSA-N 2 2 250.346 0.832 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000911801836 636394946 /nfs/dbraw/zinc/39/49/46/636394946.db2.gz FXMOXMWJJIUGCV-JTNHKYCSSA-N 2 2 262.357 0.767 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC000911885588 636431493 /nfs/dbraw/zinc/43/14/93/636431493.db2.gz XZVDRRRNLHUBSU-RNCFNFMXSA-N 2 2 274.324 0.751 20 0 CCADLP [NH3+][C@@H](C(=O)NCC[NH+]1CCSCC1)c1ccccc1 ZINC000226389210 636980807 /nfs/dbraw/zinc/98/08/07/636980807.db2.gz LPCAADOADXSKNF-CYBMUJFWSA-N 2 2 279.409 0.851 20 0 CCADLP OC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000063002398 637191318 /nfs/dbraw/zinc/19/13/18/637191318.db2.gz NQGIVORIFNASDT-LSDHHAIUSA-N 2 2 264.369 0.766 20 0 CCADLP O[C@H](C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)C[C@@]1(O)CCOC1 ZINC000929803307 637570057 /nfs/dbraw/zinc/57/00/57/637570057.db2.gz GKSRDPHVZXSCGB-ZFWWWQNUSA-N 2 2 295.383 0.492 20 0 CCADLP C[N@@H+]1CC[C@H]1CNC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000916342423 637897253 /nfs/dbraw/zinc/89/72/53/637897253.db2.gz YBRWGPUJOSRPKL-LBPRGKRZSA-N 2 2 277.372 0.723 20 0 CCADLP C[N@H+]1CC[C@H]1CNC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000916342423 637897256 /nfs/dbraw/zinc/89/72/56/637897256.db2.gz YBRWGPUJOSRPKL-LBPRGKRZSA-N 2 2 277.372 0.723 20 0 CCADLP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000917016009 637941476 /nfs/dbraw/zinc/94/14/76/637941476.db2.gz QKPUKDZLGQAKAF-XDQVBPFNSA-N 2 2 298.431 0.487 20 0 CCADLP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000917016009 637941480 /nfs/dbraw/zinc/94/14/80/637941480.db2.gz QKPUKDZLGQAKAF-XDQVBPFNSA-N 2 2 298.431 0.487 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000925335981 638207458 /nfs/dbraw/zinc/20/74/58/638207458.db2.gz APWHARSSZOJWLB-MJBXVCDLSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000925335981 638207463 /nfs/dbraw/zinc/20/74/63/638207463.db2.gz APWHARSSZOJWLB-MJBXVCDLSA-N 2 2 298.431 0.441 20 0 CCADLP CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CCF ZINC000996354933 638816345 /nfs/dbraw/zinc/81/63/45/638816345.db2.gz JSXPRESVFIVHOL-NSHDSACASA-N 2 2 268.336 0.748 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC1(C)C ZINC000996516179 638821496 /nfs/dbraw/zinc/82/14/96/638821496.db2.gz XUIOWWLHVYTXKJ-AAEUAGOBSA-N 2 2 294.399 0.170 20 0 CCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC([NH2+]CCF)CC1 ZINC000996760346 638831762 /nfs/dbraw/zinc/83/17/62/638831762.db2.gz SXIYTSAPFFFKNA-GFCCVEGCSA-N 2 2 294.374 0.996 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]([NH2+]CC2CC2)C1 ZINC001001057218 639223001 /nfs/dbraw/zinc/22/30/01/639223001.db2.gz VHEVNWDJWOQJPJ-ZDUSSCGKSA-N 2 2 262.357 0.874 20 0 CCADLP CO[C@H](C)C[NH+]1CCC(NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001004053920 639670464 /nfs/dbraw/zinc/67/04/64/639670464.db2.gz UAVFPXJUWFGLQL-LLVKDONJSA-N 2 2 294.399 0.876 20 0 CCADLP O=C(C[NH+]1CCCC1)NC1CC[NH+](Cc2ccon2)CC1 ZINC001004147438 639698502 /nfs/dbraw/zinc/69/85/02/639698502.db2.gz HIGPVAGZZBBQGK-UHFFFAOYSA-N 2 2 292.383 0.851 20 0 CCADLP COC[C@@H](C)[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001004254318 639733791 /nfs/dbraw/zinc/73/37/91/639733791.db2.gz WLWWZPZWBMHIIN-GFCCVEGCSA-N 2 2 280.372 0.499 20 0 CCADLP O=c1[nH]nc(C2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)[nH]1 ZINC000923377333 640111629 /nfs/dbraw/zinc/11/16/29/640111629.db2.gz SGTIVGRGGWZXBO-NSHDSACASA-N 2 2 293.371 0.068 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)COC[C@H]1CCCO1 ZINC000923398646 640120077 /nfs/dbraw/zinc/12/00/77/640120077.db2.gz KXAQPTQVTFNRQJ-MGPQQGTHSA-N 2 2 284.400 0.417 20 0 CCADLP [NH3+]C[C@H]1CCCC[N@@H+]1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000923414589 640129972 /nfs/dbraw/zinc/12/99/72/640129972.db2.gz MOTMWSUOZLZGNL-MCIONIFRSA-N 2 2 272.389 0.356 20 0 CCADLP [NH3+]C[C@H]1CCCC[N@H+]1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000923414589 640129975 /nfs/dbraw/zinc/12/99/75/640129975.db2.gz MOTMWSUOZLZGNL-MCIONIFRSA-N 2 2 272.389 0.356 20 0 CCADLP NC(=O)C[N@H+](CCC[NH2+]C1CC1)C1CCOCC1 ZINC000923425040 640130688 /nfs/dbraw/zinc/13/06/88/640130688.db2.gz CMFZNOPGOLHMGJ-UHFFFAOYSA-N 2 2 255.362 0.095 20 0 CCADLP NC(=O)C[N@@H+](CCC[NH2+]C1CC1)C1CCOCC1 ZINC000923425040 640130694 /nfs/dbraw/zinc/13/06/94/640130694.db2.gz CMFZNOPGOLHMGJ-UHFFFAOYSA-N 2 2 255.362 0.095 20 0 CCADLP [NH3+][C@@]1(CO)CCC[N@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000923471317 640152874 /nfs/dbraw/zinc/15/28/74/640152874.db2.gz CXTLFTASIALUOR-STQMWFEESA-N 2 2 254.374 0.874 20 0 CCADLP [NH3+][C@@]1(CO)CCC[N@@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000923471317 640152879 /nfs/dbraw/zinc/15/28/79/640152879.db2.gz CXTLFTASIALUOR-STQMWFEESA-N 2 2 254.374 0.874 20 0 CCADLP O=S(=O)(NCc1cc[nH+]c(N2CCCC2)c1)C1C[NH2+]C1 ZINC000923587035 640193600 /nfs/dbraw/zinc/19/36/00/640193600.db2.gz UTMDWCBKTYSAQQ-UHFFFAOYSA-N 2 2 296.396 0.073 20 0 CCADLP O=C1CC[C@@H]([N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C(=O)N1 ZINC000799123928 640545366 /nfs/dbraw/zinc/54/53/66/640545366.db2.gz CRBXOYNIEPAHFR-QWHCGFSZSA-N 2 2 279.384 0.742 20 0 CCADLP O=C1CC[C@@H]([N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C(=O)N1 ZINC000799123928 640545371 /nfs/dbraw/zinc/54/53/71/640545371.db2.gz CRBXOYNIEPAHFR-QWHCGFSZSA-N 2 2 279.384 0.742 20 0 CCADLP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CC[NH+](CCF)C2)C1 ZINC001015707146 650612968 /nfs/dbraw/zinc/61/29/68/650612968.db2.gz MXCKWOIXKMZLPL-GFCCVEGCSA-N 2 2 271.380 0.878 20 0 CCADLP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](CCF)C2)C1 ZINC001015707146 650612970 /nfs/dbraw/zinc/61/29/70/650612970.db2.gz MXCKWOIXKMZLPL-GFCCVEGCSA-N 2 2 271.380 0.878 20 0 CCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CCF)C2)C1 ZINC001015707146 650612971 /nfs/dbraw/zinc/61/29/71/650612971.db2.gz MXCKWOIXKMZLPL-GFCCVEGCSA-N 2 2 271.380 0.878 20 0 CCADLP CC1(C)CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CCF)C2)C1 ZINC001015707146 650612972 /nfs/dbraw/zinc/61/29/72/650612972.db2.gz MXCKWOIXKMZLPL-GFCCVEGCSA-N 2 2 271.380 0.878 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N[C@@H](CO)C[NH+]1CCCC1 ZINC000816626093 641183961 /nfs/dbraw/zinc/18/39/61/641183961.db2.gz VARZFJAJNNOJET-CYBMUJFWSA-N 2 2 280.372 0.236 20 0 CCADLP O=C(C[NH+]1CCCC1)NC1CC([NH+]2CCOCC2)C1 ZINC000824045770 641800490 /nfs/dbraw/zinc/80/04/90/641800490.db2.gz DRZOXALJEJZRHM-UHFFFAOYSA-N 2 2 267.373 0.062 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](C[C@H]2CCCCO2)C1 ZINC001016398883 650725056 /nfs/dbraw/zinc/72/50/56/650725056.db2.gz ZUQUSWBZJMWYNI-ZIAGYGMSSA-N 2 2 292.383 0.643 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](C[C@H]2CCCCO2)C1 ZINC001016398883 650725061 /nfs/dbraw/zinc/72/50/61/650725061.db2.gz ZUQUSWBZJMWYNI-ZIAGYGMSSA-N 2 2 292.383 0.643 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000829483757 642165735 /nfs/dbraw/zinc/16/57/35/642165735.db2.gz MISBMFCURBHQCE-GXTWGEPZSA-N 3 2 294.443 0.412 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000829483757 642165741 /nfs/dbraw/zinc/16/57/41/642165741.db2.gz MISBMFCURBHQCE-GXTWGEPZSA-N 3 2 294.443 0.412 20 0 CCADLP C[C@H]1C[NH+](CCCCNC(=O)Cc2[nH]cc[nH+]2)C[C@H](C)O1 ZINC000829799941 642193777 /nfs/dbraw/zinc/19/37/77/642193777.db2.gz BUGHVZVMVOXGCZ-STQMWFEESA-N 2 2 294.399 0.958 20 0 CCADLP Cc1cc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cnc1Cl ZINC000843044548 642979015 /nfs/dbraw/zinc/97/90/15/642979015.db2.gz IHZZULBLKWHJBJ-UHFFFAOYSA-N 2 2 296.802 0.907 20 0 CCADLP Cc1cc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cnc1Cl ZINC000843044548 642979027 /nfs/dbraw/zinc/97/90/27/642979027.db2.gz IHZZULBLKWHJBJ-UHFFFAOYSA-N 2 2 296.802 0.907 20 0 CCADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)NCc1ccccn1 ZINC000844225867 643186595 /nfs/dbraw/zinc/18/65/95/643186595.db2.gz IPQFJQWKZPEQIA-GFCCVEGCSA-N 2 2 264.373 0.661 20 0 CCADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC(=O)NCc1ccccn1)C2 ZINC000846224208 643389974 /nfs/dbraw/zinc/38/99/74/643389974.db2.gz GQQZZQVFIGTURM-BBRMVZONSA-N 2 2 288.395 0.759 20 0 CCADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCc1ccccn1)C2 ZINC000846224208 643389978 /nfs/dbraw/zinc/38/99/78/643389978.db2.gz GQQZZQVFIGTURM-BBRMVZONSA-N 2 2 288.395 0.759 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000847009526 643479761 /nfs/dbraw/zinc/47/97/61/643479761.db2.gz JXVCMCCORQIMPF-YPMHNXCESA-N 2 2 278.356 0.783 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000847009526 643479765 /nfs/dbraw/zinc/47/97/65/643479765.db2.gz JXVCMCCORQIMPF-YPMHNXCESA-N 2 2 278.356 0.783 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2nncs2)C1 ZINC001018635618 650888131 /nfs/dbraw/zinc/88/81/31/650888131.db2.gz POLLPMMCJDXAGO-WDEREUQCSA-N 2 2 295.412 0.323 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2nncs2)C1 ZINC001018635618 650888133 /nfs/dbraw/zinc/88/81/33/650888133.db2.gz POLLPMMCJDXAGO-WDEREUQCSA-N 2 2 295.412 0.323 20 0 CCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCF)C1)C2 ZINC001019062280 650934925 /nfs/dbraw/zinc/93/49/25/650934925.db2.gz NLVMPAUERVBKPG-NEPJUHHUSA-N 2 2 294.374 0.983 20 0 CCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[C@H]([NH2+]CCF)C1)CC2 ZINC001019062280 650934926 /nfs/dbraw/zinc/93/49/26/650934926.db2.gz NLVMPAUERVBKPG-NEPJUHHUSA-N 2 2 294.374 0.983 20 0 CCADLP C[C@H]([NH3+])CN(C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000861556147 644892305 /nfs/dbraw/zinc/89/23/05/644892305.db2.gz DITOPARXWDEIJC-NSHDSACASA-N 2 2 279.388 0.751 20 0 CCADLP C[C@H]([NH3+])CN(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000861581181 644895522 /nfs/dbraw/zinc/89/55/22/644895522.db2.gz LKUXVGJZYMCIJA-QWHCGFSZSA-N 3 2 297.447 0.144 20 0 CCADLP C[C@H]([NH3+])CN(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000861581181 644895525 /nfs/dbraw/zinc/89/55/25/644895525.db2.gz LKUXVGJZYMCIJA-QWHCGFSZSA-N 3 2 297.447 0.144 20 0 CCADLP C[C@H]([NH3+])C[N@H+](C)CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000863566882 645108188 /nfs/dbraw/zinc/10/81/88/645108188.db2.gz SBIAXANJMUIQMG-JTQLQIEISA-N 2 2 278.356 0.393 20 0 CCADLP C[C@H]([NH3+])C[N@@H+](C)CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000863566882 645108189 /nfs/dbraw/zinc/10/81/89/645108189.db2.gz SBIAXANJMUIQMG-JTQLQIEISA-N 2 2 278.356 0.393 20 0 CCADLP Cc1[nH+]ccn1CCCC[N@@H+](C)CCS(C)(=O)=O ZINC000120454480 645347223 /nfs/dbraw/zinc/34/72/23/645347223.db2.gz CQCWSQZIGVBQPO-UHFFFAOYSA-N 2 2 273.402 0.948 20 0 CCADLP Cc1[nH+]ccn1CCCC[N@H+](C)CCS(C)(=O)=O ZINC000120454480 645347226 /nfs/dbraw/zinc/34/72/26/645347226.db2.gz CQCWSQZIGVBQPO-UHFFFAOYSA-N 2 2 273.402 0.948 20 0 CCADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000865605359 645389722 /nfs/dbraw/zinc/38/97/22/645389722.db2.gz SXLNYJDAOGCIQX-DJYNDVHFSA-N 2 2 293.411 0.475 20 0 CCADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000865605359 645389734 /nfs/dbraw/zinc/38/97/34/645389734.db2.gz SXLNYJDAOGCIQX-DJYNDVHFSA-N 2 2 293.411 0.475 20 0 CCADLP O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000865790722 645418832 /nfs/dbraw/zinc/41/88/32/645418832.db2.gz KKPKMKYAWUHQPK-AWEZNQCLSA-N 2 2 292.383 0.778 20 0 CCADLP Cc1nc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc[nH+]1 ZINC000866012615 645461957 /nfs/dbraw/zinc/46/19/57/645461957.db2.gz KYJFXKYMOFTLDP-ZIAGYGMSSA-N 3 2 277.416 0.961 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)nc[nH+]1 ZINC000866206511 645504795 /nfs/dbraw/zinc/50/47/95/645504795.db2.gz RZVPKCOAVNYVQI-XQQFMLRXSA-N 2 2 291.399 0.800 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[C@H]3[C@H](CC[N@H+]3C)C2)nc[nH+]1 ZINC000866206511 645504805 /nfs/dbraw/zinc/50/48/05/645504805.db2.gz RZVPKCOAVNYVQI-XQQFMLRXSA-N 2 2 291.399 0.800 20 0 CCADLP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](Cc2nccs2)C1 ZINC000866714380 645581157 /nfs/dbraw/zinc/58/11/57/645581157.db2.gz NNBPDCJSAAKGSE-OUAUKWLOSA-N 2 2 294.380 0.510 20 0 CCADLP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@@H+](Cc2nccs2)C1 ZINC000866714380 645581174 /nfs/dbraw/zinc/58/11/74/645581174.db2.gz NNBPDCJSAAKGSE-OUAUKWLOSA-N 2 2 294.380 0.510 20 0 CCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCO)C1)C2 ZINC001020316030 651058900 /nfs/dbraw/zinc/05/89/00/651058900.db2.gz GAZRVIJQVKWOMC-IJLUTSLNSA-N 2 2 292.383 0.052 20 0 CCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCO)C1)CC2 ZINC001020316030 651058906 /nfs/dbraw/zinc/05/89/06/651058906.db2.gz GAZRVIJQVKWOMC-IJLUTSLNSA-N 2 2 292.383 0.052 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@H](C)CO1 ZINC000870953280 646060005 /nfs/dbraw/zinc/06/00/05/646060005.db2.gz SAOMNWFEZRIPIB-SYQHCUMBSA-N 2 2 283.416 0.729 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@H](C)CO1 ZINC000870953280 646060012 /nfs/dbraw/zinc/06/00/12/646060012.db2.gz SAOMNWFEZRIPIB-SYQHCUMBSA-N 2 2 283.416 0.729 20 0 CCADLP [NH3+][C@H]1CC[C@@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000870953844 646060487 /nfs/dbraw/zinc/06/04/87/646060487.db2.gz PMPIYCLKBFEEAI-HZSPNIEDSA-N 2 2 281.400 0.437 20 0 CCADLP [NH3+]CC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@H](O)C2)C1 ZINC000872146178 646211321 /nfs/dbraw/zinc/21/13/21/646211321.db2.gz HOCRDOAQLMYZTK-AGIUHOORSA-N 2 2 269.389 0.077 20 0 CCADLP [NH3+]CC[N@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@H](O)C2)C1 ZINC000872146178 646211323 /nfs/dbraw/zinc/21/13/23/646211323.db2.gz HOCRDOAQLMYZTK-AGIUHOORSA-N 2 2 269.389 0.077 20 0 CCADLP C[C@@H]([NH2+]C[C@]12COC(=O)N1CCOC2)[C@H]1CCCC[NH2+]1 ZINC000873249820 646366282 /nfs/dbraw/zinc/36/62/82/646366282.db2.gz OZRSLGBEMPFSMX-BZPMIXESSA-N 2 2 283.372 0.328 20 0 CCADLP C[C@@H]([NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)C1CC[NH2+]CC1 ZINC000873269484 646368570 /nfs/dbraw/zinc/36/85/70/646368570.db2.gz IBAAKTUQRSCRFQ-OUCADQQQSA-N 3 2 255.406 0.731 20 0 CCADLP C[C@H](CNC(=O)C[NH+]1CCCC1)CN1CC[NH+](C)CC1 ZINC000874468115 646469321 /nfs/dbraw/zinc/46/93/21/646469321.db2.gz DDGVXSLEISGAOX-CQSZACIVSA-N 2 2 282.432 0.082 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000876305166 646594962 /nfs/dbraw/zinc/59/49/62/646594962.db2.gz FIOLYCBNNPCOIR-LBPRGKRZSA-N 2 2 295.387 0.066 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000876305166 646594968 /nfs/dbraw/zinc/59/49/68/646594968.db2.gz FIOLYCBNNPCOIR-LBPRGKRZSA-N 2 2 295.387 0.066 20 0 CCADLP C[C@@H]1CN(C(=O)NCc2c[nH+]cn2C)C[C@H](C)[N@H+]1CCO ZINC000876305904 646595940 /nfs/dbraw/zinc/59/59/40/646595940.db2.gz XDCVZORDSJAFAC-TXEJJXNPSA-N 2 2 295.387 0.017 20 0 CCADLP C[C@@H]1CN(C(=O)NCc2c[nH+]cn2C)C[C@H](C)[N@@H+]1CCO ZINC000876305904 646595942 /nfs/dbraw/zinc/59/59/42/646595942.db2.gz XDCVZORDSJAFAC-TXEJJXNPSA-N 2 2 295.387 0.017 20 0 CCADLP [NH3+]Cc1cccc(NC(=O)/C=C\C[NH+]2CCOCC2)c1 ZINC000876505247 646614416 /nfs/dbraw/zinc/61/44/16/646614416.db2.gz QVOKSJKUBMEYFD-DJWKRKHSSA-N 2 2 275.352 0.972 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000876851240 646681569 /nfs/dbraw/zinc/68/15/69/646681569.db2.gz FZWJGBIOERPSHO-VIFPVBQESA-N 2 2 258.272 0.257 20 0 CCADLP NS(=O)(=O)c1cccc(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000876886756 646690676 /nfs/dbraw/zinc/69/06/76/646690676.db2.gz ZUPVRSSQXIGOLS-UHFFFAOYSA-N 2 2 294.380 0.710 20 0 CCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876887989 646691236 /nfs/dbraw/zinc/69/12/36/646691236.db2.gz LTXPKDZUUHRNCS-BZPMIXESSA-N 2 2 292.358 0.724 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@]23CCC[C@H]2[NH2+]CC3)[C@@H](C)CO1 ZINC000876960745 646707476 /nfs/dbraw/zinc/70/74/76/646707476.db2.gz LSUCOHOJJIUNHJ-NHIYQJMISA-N 2 2 295.427 0.744 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@]23CCC[C@H]2[NH2+]CC3)[C@@H](C)CO1 ZINC000876960745 646707477 /nfs/dbraw/zinc/70/74/77/646707477.db2.gz LSUCOHOJJIUNHJ-NHIYQJMISA-N 2 2 295.427 0.744 20 0 CCADLP Cn1nnnc1CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000878252452 646885532 /nfs/dbraw/zinc/88/55/32/646885532.db2.gz LNNXMHPTLTYPRG-JTQLQIEISA-N 2 2 261.333 0.355 20 0 CCADLP Cn1nnnc1CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000878252452 646885538 /nfs/dbraw/zinc/88/55/38/646885538.db2.gz LNNXMHPTLTYPRG-JTQLQIEISA-N 2 2 261.333 0.355 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC([C@H](F)C(N)=O)CC1 ZINC000879044482 647019430 /nfs/dbraw/zinc/01/94/30/647019430.db2.gz RNGFGDOJOLKECX-OLZOCXBDSA-N 2 2 289.395 0.223 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC([C@H](F)C(N)=O)CC1 ZINC000879044482 647019432 /nfs/dbraw/zinc/01/94/32/647019432.db2.gz RNGFGDOJOLKECX-OLZOCXBDSA-N 2 2 289.395 0.223 20 0 CCADLP OC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCCn1cc[nH+]c1 ZINC000880070598 647150142 /nfs/dbraw/zinc/15/01/42/647150142.db2.gz RVAMWPOPURDJGV-UONOGXRCSA-N 2 2 264.373 0.414 20 0 CCADLP OC[C@H]1C[N@H+]2CCC[C@H]2CN1CCCn1cc[nH+]c1 ZINC000880070598 647150143 /nfs/dbraw/zinc/15/01/43/647150143.db2.gz RVAMWPOPURDJGV-UONOGXRCSA-N 2 2 264.373 0.414 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)NC2CC2)CCN1c1cc[nH+]cc1 ZINC000880264208 647178176 /nfs/dbraw/zinc/17/81/76/647178176.db2.gz QJEJTICLTIPXSO-GFCCVEGCSA-N 2 2 274.368 0.871 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)CCN1c1cc[nH+]cc1 ZINC000880264208 647178178 /nfs/dbraw/zinc/17/81/78/647178178.db2.gz QJEJTICLTIPXSO-GFCCVEGCSA-N 2 2 274.368 0.871 20 0 CCADLP COc1nn(C)cc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000883973113 647600506 /nfs/dbraw/zinc/60/05/06/647600506.db2.gz HERBDVHQIJULJO-UHFFFAOYSA-N 2 2 297.403 0.042 20 0 CCADLP COc1nn(C)cc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000883973113 647600507 /nfs/dbraw/zinc/60/05/07/647600507.db2.gz HERBDVHQIJULJO-UHFFFAOYSA-N 2 2 297.403 0.042 20 0 CCADLP Cc1cc(NCC[N@H+](C)CCO)nc(C2CC2)[nH+]1 ZINC000884824669 647808332 /nfs/dbraw/zinc/80/83/32/647808332.db2.gz GZHRMPQJXGJRII-UHFFFAOYSA-N 2 2 250.346 0.998 20 0 CCADLP Cc1cc(NCC[N@@H+](C)CCO)nc(C2CC2)[nH+]1 ZINC000884824669 647808335 /nfs/dbraw/zinc/80/83/35/647808335.db2.gz GZHRMPQJXGJRII-UHFFFAOYSA-N 2 2 250.346 0.998 20 0 CCADLP Cc1sc(Cn2cc[nH+]c2)nc1-c1cn(CC[NH3+])nn1 ZINC000887531300 648124561 /nfs/dbraw/zinc/12/45/61/648124561.db2.gz IWQOQEPOXKYXIK-UHFFFAOYSA-N 2 2 289.368 0.914 20 0 CCADLP Cc1nonc1[C@H](C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000924944457 648390107 /nfs/dbraw/zinc/39/01/07/648390107.db2.gz ANGDQUHGPSGCQT-JTQLQIEISA-N 2 2 281.360 0.193 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CCC[NH2+][C@H]1C)N1CC[NH+](C)CC1 ZINC000925490047 648439110 /nfs/dbraw/zinc/43/91/10/648439110.db2.gz AHWQPTNBAIIBKV-HZSPNIEDSA-N 3 2 254.422 0.352 20 0 CCADLP FC(F)(F)COCCC[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925537537 648441355 /nfs/dbraw/zinc/44/13/55/648441355.db2.gz LNVFKAQQUCHIGE-SECBINFHSA-N 2 2 256.268 0.533 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925640995 648450199 /nfs/dbraw/zinc/45/01/99/648450199.db2.gz WZHRDYAKEXNGGR-PMPSAXMXSA-N 3 2 281.444 0.811 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)C1 ZINC000925640995 648450201 /nfs/dbraw/zinc/45/02/01/648450201.db2.gz WZHRDYAKEXNGGR-PMPSAXMXSA-N 3 2 281.444 0.811 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000925709824 648456088 /nfs/dbraw/zinc/45/60/88/648456088.db2.gz ADMFIOYZHOULHG-MVWJERBFSA-N 2 2 253.346 0.700 20 0 CCADLP C[C@H]([NH3+])[C@@H]([NH2+]CCN1CCNC1=O)c1ccccc1 ZINC000925776967 648460204 /nfs/dbraw/zinc/46/02/04/648460204.db2.gz JMGGGJHCNMFATK-WCQYABFASA-N 2 2 262.357 0.690 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925839203 648465143 /nfs/dbraw/zinc/46/51/43/648465143.db2.gz GZFKIDFGBMNVBC-LXTVHRRPSA-N 3 2 267.417 0.875 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928072299 648611626 /nfs/dbraw/zinc/61/16/26/648611626.db2.gz FYYVCHVBKQTNTQ-QWHCGFSZSA-N 2 2 294.424 0.888 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928072299 648611631 /nfs/dbraw/zinc/61/16/31/648611631.db2.gz FYYVCHVBKQTNTQ-QWHCGFSZSA-N 2 2 294.424 0.888 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928087599 648613888 /nfs/dbraw/zinc/61/38/88/648613888.db2.gz CROJPYRHBVOZEP-CHWSQXEVSA-N 2 2 294.424 0.659 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928087599 648613891 /nfs/dbraw/zinc/61/38/91/648613891.db2.gz CROJPYRHBVOZEP-CHWSQXEVSA-N 2 2 294.424 0.659 20 0 CCADLP O[C@@H]1CC[N@@H+](C2CC[NH+](CCO[C@@H]3CCOC3)CC2)C1 ZINC000931065974 648942102 /nfs/dbraw/zinc/94/21/02/648942102.db2.gz GPKVRANUTYEBJS-HUUCEWRRSA-N 2 2 284.400 0.323 20 0 CCADLP O[C@@H]1CC[N@H+](C2CC[NH+](CCO[C@@H]3CCOC3)CC2)C1 ZINC000931065974 648942105 /nfs/dbraw/zinc/94/21/05/648942105.db2.gz GPKVRANUTYEBJS-HUUCEWRRSA-N 2 2 284.400 0.323 20 0 CCADLP Cc1cc(NC(=O)CC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)no1 ZINC000931281985 648973620 /nfs/dbraw/zinc/97/36/20/648973620.db2.gz DFCHYYGBAXKUCP-YABSGUDNSA-N 2 2 278.356 0.803 20 0 CCADLP Cc1cc(NC(=O)CC[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)no1 ZINC000931281985 648973622 /nfs/dbraw/zinc/97/36/22/648973622.db2.gz DFCHYYGBAXKUCP-YABSGUDNSA-N 2 2 278.356 0.803 20 0 CCADLP Cc1noc(CCC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)n1 ZINC000931281047 648973782 /nfs/dbraw/zinc/97/37/82/648973782.db2.gz MRIGCLYJFWWSGU-PJXYFTJBSA-N 2 2 250.346 0.802 20 0 CCADLP Cc1noc(CCC[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)n1 ZINC000931281047 648973812 /nfs/dbraw/zinc/97/38/12/648973812.db2.gz MRIGCLYJFWWSGU-PJXYFTJBSA-N 2 2 250.346 0.802 20 0 CCADLP Cc1n[nH]c(C)c1NC(=O)C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931432472 648988232 /nfs/dbraw/zinc/98/82/32/648988232.db2.gz RXLRIDULSWJBEH-OLZOCXBDSA-N 2 2 291.399 0.849 20 0 CCADLP Cc1n[nH]c(C)c1NC(=O)C[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931432472 648988238 /nfs/dbraw/zinc/98/82/38/648988238.db2.gz RXLRIDULSWJBEH-OLZOCXBDSA-N 2 2 291.399 0.849 20 0 CCADLP Cc1n[nH]c(C)c1NC(=O)C[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931432472 648988242 /nfs/dbraw/zinc/98/82/42/648988242.db2.gz RXLRIDULSWJBEH-OLZOCXBDSA-N 2 2 291.399 0.849 20 0 CCADLP Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931432472 648988243 /nfs/dbraw/zinc/98/82/43/648988243.db2.gz RXLRIDULSWJBEH-OLZOCXBDSA-N 2 2 291.399 0.849 20 0 CCADLP C[C@H](O)[C@@H](O)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000931706683 649020848 /nfs/dbraw/zinc/02/08/48/649020848.db2.gz HXUZMRAAXBSACN-QEJZJMRPSA-N 2 2 275.352 0.956 20 0 CCADLP C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CCF ZINC000948090964 649363015 /nfs/dbraw/zinc/36/30/15/649363015.db2.gz RCBBJVSWMYYUFW-NWDGAFQWSA-N 2 2 268.336 0.822 20 0 CCADLP C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CCF ZINC000948090964 649363019 /nfs/dbraw/zinc/36/30/19/649363019.db2.gz RCBBJVSWMYYUFW-NWDGAFQWSA-N 2 2 268.336 0.822 20 0 CCADLP C[C@@H](F)CC[NH+]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000950731976 649490992 /nfs/dbraw/zinc/49/09/92/649490992.db2.gz DFROAPYMMQGATR-LLVKDONJSA-N 2 2 268.336 0.845 20 0 CCADLP C[N@@H+]1CCO[C@H](COc2ccc3[nH]c(N)[nH+]c3c2)C1 ZINC001230515208 805607662 /nfs/dbraw/zinc/60/76/62/805607662.db2.gz GYBCTRAMWZPVRR-JTQLQIEISA-N 2 2 262.313 0.855 20 0 CCADLP C[N@H+]1CCO[C@H](COc2ccc3[nH]c(N)[nH+]c3c2)C1 ZINC001230515208 805607666 /nfs/dbraw/zinc/60/76/66/805607666.db2.gz GYBCTRAMWZPVRR-JTQLQIEISA-N 2 2 262.313 0.855 20 0 CCADLP COCCC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001266252067 790331574 /nfs/dbraw/zinc/33/15/74/790331574.db2.gz MADTUSJGZFECAE-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP COCCC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001266252067 790331581 /nfs/dbraw/zinc/33/15/81/790331581.db2.gz MADTUSJGZFECAE-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP C[N@@H+]1CCC[C@H](C[NH+]2CCN3C(=O)OC[C@H]3C2)C1 ZINC001208613630 790433030 /nfs/dbraw/zinc/43/30/30/790433030.db2.gz WSVMBQPLBOUYRI-NWDGAFQWSA-N 2 2 253.346 0.465 20 0 CCADLP C[N@H+]1CCC[C@H](C[NH+]2CCN3C(=O)OC[C@H]3C2)C1 ZINC001208613630 790433035 /nfs/dbraw/zinc/43/30/35/790433035.db2.gz WSVMBQPLBOUYRI-NWDGAFQWSA-N 2 2 253.346 0.465 20 0 CCADLP C[NH+]1CCC[C@H](C[N@@H+]2CCN3C(=O)OC[C@H]3C2)C1 ZINC001208613630 790433040 /nfs/dbraw/zinc/43/30/40/790433040.db2.gz WSVMBQPLBOUYRI-NWDGAFQWSA-N 2 2 253.346 0.465 20 0 CCADLP C[NH+]1CCC[C@H](C[N@H+]2CCN3C(=O)OC[C@H]3C2)C1 ZINC001208613630 790433046 /nfs/dbraw/zinc/43/30/46/790433046.db2.gz WSVMBQPLBOUYRI-NWDGAFQWSA-N 2 2 253.346 0.465 20 0 CCADLP COC(=O)[C@H](C)C[NH+]1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001208727050 790451920 /nfs/dbraw/zinc/45/19/20/790451920.db2.gz WOJXNZNXAAMMQR-CQSZACIVSA-N 2 2 297.443 0.755 20 0 CCADLP CC[N@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)C[C@@H](C)O ZINC001266431709 790693006 /nfs/dbraw/zinc/69/30/06/790693006.db2.gz KKFOBVUHZGICJG-SNVBAGLBSA-N 2 2 268.361 0.080 20 0 CCADLP CC[N@@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)C[C@@H](C)O ZINC001266431709 790693010 /nfs/dbraw/zinc/69/30/10/790693010.db2.gz KKFOBVUHZGICJG-SNVBAGLBSA-N 2 2 268.361 0.080 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1CC[NH2+]CCO ZINC001104274584 790836387 /nfs/dbraw/zinc/83/63/87/790836387.db2.gz SMUSFENWDXPXQH-CHWSQXEVSA-N 2 2 294.399 0.409 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1CC[NH2+]CCO ZINC001104274584 790836405 /nfs/dbraw/zinc/83/64/05/790836405.db2.gz SMUSFENWDXPXQH-CHWSQXEVSA-N 2 2 294.399 0.409 20 0 CCADLP Cc1cc(-n2cnc(C[NH3+])cc2=N)c2[nH+]ccn2c1 ZINC001167359241 790968129 /nfs/dbraw/zinc/96/81/29/790968129.db2.gz NICSWYBMXDXEII-UHFFFAOYSA-N 2 2 254.297 0.767 20 0 CCADLP COC[C@H](C)[NH2+]CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001167429290 791064873 /nfs/dbraw/zinc/06/48/73/791064873.db2.gz QVGUTXFDONFMLR-QWHCGFSZSA-N 2 2 282.388 0.965 20 0 CCADLP C[C@@H](CC(=O)NCCC[NH2+]CC(=O)N(C)C)n1cc[nH+]c1 ZINC001167429042 791066409 /nfs/dbraw/zinc/06/64/09/791066409.db2.gz PJMVTMDOLNDYNC-LBPRGKRZSA-N 2 2 295.387 0.018 20 0 CCADLP CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001087141095 791112171 /nfs/dbraw/zinc/11/21/71/791112171.db2.gz BJTCFRKVCWOKOW-HZSPNIEDSA-N 2 2 283.416 0.554 20 0 CCADLP CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001087141095 791112178 /nfs/dbraw/zinc/11/21/78/791112178.db2.gz BJTCFRKVCWOKOW-HZSPNIEDSA-N 2 2 283.416 0.554 20 0 CCADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc(=O)[nH]n1)CC2 ZINC001232023206 805882395 /nfs/dbraw/zinc/88/23/95/805882395.db2.gz GQVNHUSSOJSPJW-UHFFFAOYSA-N 2 2 291.355 0.812 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)c2ccsc2)CC1 ZINC000721850778 805950285 /nfs/dbraw/zinc/95/02/85/805950285.db2.gz FNGJSQPTIVFBSP-UHFFFAOYSA-N 2 2 253.371 0.901 20 0 CCADLP CCOCCC[NH+]1CC(N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001277687043 805961158 /nfs/dbraw/zinc/96/11/58/805961158.db2.gz ZXYHEZBTDVZRNI-CQSZACIVSA-N 2 2 285.432 0.896 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001266735675 791200671 /nfs/dbraw/zinc/20/06/71/791200671.db2.gz RMVXROJMJYQYJF-UTUOFQBUSA-N 2 2 266.345 0.155 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001266735674 791200834 /nfs/dbraw/zinc/20/08/34/791200834.db2.gz RMVXROJMJYQYJF-SDDRHHMPSA-N 2 2 266.345 0.155 20 0 CCADLP CCOCC[NH2+]C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001266814311 791257899 /nfs/dbraw/zinc/25/78/99/791257899.db2.gz NQRZGWUWFYTVML-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP C[C@@H]1CC[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)C[NH2+]1 ZINC000398957874 791271857 /nfs/dbraw/zinc/27/18/57/791271857.db2.gz JUEBQESJPJDVLE-ZIAGYGMSSA-N 3 2 254.422 0.354 20 0 CCADLP CN(CC[NH2+]C[C@@H]1CC(C)(C)CO1)C(=O)Cc1c[nH+]c[nH]1 ZINC001266847178 791284127 /nfs/dbraw/zinc/28/41/27/791284127.db2.gz XKRDVSPHHVFCOT-ZDUSSCGKSA-N 2 2 294.399 0.815 20 0 CCADLP CC(C)[NH2+][C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001266949412 791384046 /nfs/dbraw/zinc/38/40/46/791384046.db2.gz OKQJEKPFLRKLBE-VXGBXAGGSA-N 2 2 264.373 0.948 20 0 CCADLP COC[C@@H](C)OC[C@@H](O)C[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000692359856 791405493 /nfs/dbraw/zinc/40/54/93/791405493.db2.gz WOZALGVKDBVPEK-MQYQWHSLSA-N 2 2 274.405 0.458 20 0 CCADLP COC[C@@H](C)OC[C@@H](O)C[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000692359856 791405497 /nfs/dbraw/zinc/40/54/97/791405497.db2.gz WOZALGVKDBVPEK-MQYQWHSLSA-N 2 2 274.405 0.458 20 0 CCADLP CC[NH2+]CC1(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001167528695 791511313 /nfs/dbraw/zinc/51/13/13/791511313.db2.gz FSJWXFSQYPGRKV-UHFFFAOYSA-N 2 2 250.346 0.848 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cnon1 ZINC001267116797 791558694 /nfs/dbraw/zinc/55/86/94/791558694.db2.gz HXJKHZQMTBOXIE-ZDUSSCGKSA-N 2 2 295.387 0.492 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cnon1 ZINC001267116797 791558699 /nfs/dbraw/zinc/55/86/99/791558699.db2.gz HXJKHZQMTBOXIE-ZDUSSCGKSA-N 2 2 295.387 0.492 20 0 CCADLP C[C@H](O)C[NH2+][C@@H](CCC[NH3+])C(=O)OCc1ccccc1 ZINC001246004114 807113448 /nfs/dbraw/zinc/11/34/48/807113448.db2.gz AXSDIKXJNVPEFU-JSGCOSHPSA-N 2 2 280.368 0.808 20 0 CCADLP COCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001267145437 791590247 /nfs/dbraw/zinc/59/02/47/791590247.db2.gz QERQNLDGFZRWME-YNEHKIRRSA-N 2 2 294.399 0.654 20 0 CCADLP Nc1cc(CNc2cnc(O[C@@H]3CC[NH2+]C3)nc2)cc[nH+]1 ZINC001167617499 791636524 /nfs/dbraw/zinc/63/65/24/791636524.db2.gz PBCDKONADBOIOO-GFCCVEGCSA-N 2 2 286.339 0.807 20 0 CCADLP COCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001233977797 806161419 /nfs/dbraw/zinc/16/14/19/806161419.db2.gz PDRPMWZHCZILOJ-GFCCVEGCSA-N 2 2 280.372 0.521 20 0 CCADLP COCC[N@H+]1CC[C@@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001233977797 806161423 /nfs/dbraw/zinc/16/14/23/806161423.db2.gz PDRPMWZHCZILOJ-GFCCVEGCSA-N 2 2 280.372 0.521 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001234010409 806168165 /nfs/dbraw/zinc/16/81/65/806168165.db2.gz CYAATTTYOUOXCV-STQMWFEESA-N 2 2 294.399 0.910 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001234010409 806168170 /nfs/dbraw/zinc/16/81/70/806168170.db2.gz CYAATTTYOUOXCV-STQMWFEESA-N 2 2 294.399 0.910 20 0 CCADLP c1cc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc2nonc12 ZINC001235052096 806353888 /nfs/dbraw/zinc/35/38/88/806353888.db2.gz DPFBFYPCBMMVEQ-AWEZNQCLSA-N 2 2 273.340 0.360 20 0 CCADLP c1cc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc2nonc12 ZINC001235052096 806353892 /nfs/dbraw/zinc/35/38/92/806353892.db2.gz DPFBFYPCBMMVEQ-AWEZNQCLSA-N 2 2 273.340 0.360 20 0 CCADLP FC(F)(F)CCC[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235054694 806358543 /nfs/dbraw/zinc/35/85/43/806358543.db2.gz NZWFTGLTXYJQJI-SNVBAGLBSA-N 2 2 251.296 0.966 20 0 CCADLP FC(F)(F)CCC[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235054694 806358553 /nfs/dbraw/zinc/35/85/53/806358553.db2.gz NZWFTGLTXYJQJI-SNVBAGLBSA-N 2 2 251.296 0.966 20 0 CCADLP S=C1C=COC1C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235059968 806362048 /nfs/dbraw/zinc/36/20/48/806362048.db2.gz DIBTTZUNMTYHEX-GFCCVEGCSA-N 2 2 253.371 0.706 20 0 CCADLP S=C1C=COC1C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235059968 806362056 /nfs/dbraw/zinc/36/20/56/806362056.db2.gz DIBTTZUNMTYHEX-GFCCVEGCSA-N 2 2 253.371 0.706 20 0 CCADLP c1nc2cccc(C[N@@H+]3CCN[C@]4(CC[NH2+]C4)C3)c2[nH]1 ZINC001235065924 806367705 /nfs/dbraw/zinc/36/77/05/806367705.db2.gz ZGJCWGNDAPBGSU-HNNXBMFYSA-N 2 2 271.368 0.700 20 0 CCADLP c1nc2cccc(C[N@H+]3CCN[C@]4(CC[NH2+]C4)C3)c2[nH]1 ZINC001235065924 806367714 /nfs/dbraw/zinc/36/77/14/806367714.db2.gz ZGJCWGNDAPBGSU-HNNXBMFYSA-N 2 2 271.368 0.700 20 0 CCADLP CS(=O)(=O)Nc1ccc(C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001235170933 806381322 /nfs/dbraw/zinc/38/13/22/806381322.db2.gz MIUPYCOBQBJUQQ-GXTWGEPZSA-N 2 2 295.408 0.981 20 0 CCADLP CS(=O)(=O)Nc1ccc(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001235170933 806381330 /nfs/dbraw/zinc/38/13/30/806381330.db2.gz MIUPYCOBQBJUQQ-GXTWGEPZSA-N 2 2 295.408 0.981 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1CC[C@H]2OC[C@@H](C(=O)N3CCCC3)C[C@H]2C1 ZINC001235468925 806428244 /nfs/dbraw/zinc/42/82/44/806428244.db2.gz VHDOWZDPALAMHX-ZQDZILKHSA-N 2 2 295.427 0.683 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1CC[C@H]2OC[C@@H](C(=O)N3CCCC3)C[C@H]2C1 ZINC001235468925 806428247 /nfs/dbraw/zinc/42/82/47/806428247.db2.gz VHDOWZDPALAMHX-ZQDZILKHSA-N 2 2 295.427 0.683 20 0 CCADLP C[C@@H]([NH3+])C[N@H+]1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001235544818 806452107 /nfs/dbraw/zinc/45/21/07/806452107.db2.gz JODLBTKOLVOKEF-UTUOFQBUSA-N 2 2 266.414 0.854 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+]1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001235544818 806452108 /nfs/dbraw/zinc/45/21/08/806452108.db2.gz JODLBTKOLVOKEF-UTUOFQBUSA-N 2 2 266.414 0.854 20 0 CCADLP Cc1[nH+]cn(C)c1CN1CCOC[C@@H]1C[NH+](C)C ZINC001235550814 806452717 /nfs/dbraw/zinc/45/27/17/806452717.db2.gz YTKHCRHWBMMSPY-LBPRGKRZSA-N 2 2 252.362 0.491 20 0 CCADLP CCN1CC2(CC[NH+](C[C@@H](C)[NH3+])CC2)[C@@H](COC)C1=O ZINC001235585740 806465166 /nfs/dbraw/zinc/46/51/66/806465166.db2.gz XYQPFNNNWZVKII-OLZOCXBDSA-N 2 2 283.416 0.541 20 0 CCADLP CCN1CC2(CC[NH+](C[C@@H](C)[NH3+])CC2)[C@H](COC)C1=O ZINC001235585739 806465824 /nfs/dbraw/zinc/46/58/24/806465824.db2.gz XYQPFNNNWZVKII-CHWSQXEVSA-N 2 2 283.416 0.541 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001277959783 806485539 /nfs/dbraw/zinc/48/55/39/806485539.db2.gz VKOZRUYKRXHTOI-HIFRSBDPSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@@H](O)C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001277959783 806485543 /nfs/dbraw/zinc/48/55/43/806485543.db2.gz VKOZRUYKRXHTOI-HIFRSBDPSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@@H](O)C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001277959783 806485547 /nfs/dbraw/zinc/48/55/47/806485547.db2.gz VKOZRUYKRXHTOI-HIFRSBDPSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@@H](O)C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001277959783 806485551 /nfs/dbraw/zinc/48/55/51/806485551.db2.gz VKOZRUYKRXHTOI-HIFRSBDPSA-N 2 2 283.416 0.243 20 0 CCADLP CC1(C)[NH2+]C[C@@H](CN2CC[NH+](Cc3ccncc3)CC2)O1 ZINC001235691854 806492399 /nfs/dbraw/zinc/49/23/99/806492399.db2.gz WSSBIGMINHVVFI-HNNXBMFYSA-N 2 2 290.411 0.924 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([NH3+])C[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001235769936 806501710 /nfs/dbraw/zinc/50/17/10/806501710.db2.gz IHEMOTOAZBAIGA-YNEHKIRRSA-N 3 2 269.389 0.198 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([NH3+])C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC001235769936 806501714 /nfs/dbraw/zinc/50/17/14/806501714.db2.gz IHEMOTOAZBAIGA-YNEHKIRRSA-N 3 2 269.389 0.198 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N(C)C[C@@H]2CC[N@@H+]2CCO)c[nH+]1 ZINC001235797018 806503706 /nfs/dbraw/zinc/50/37/06/806503706.db2.gz MSKLHDRBKOLRGJ-ZDUSSCGKSA-N 2 2 294.399 0.452 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N(C)C[C@@H]2CC[N@H+]2CCO)c[nH+]1 ZINC001235797018 806503713 /nfs/dbraw/zinc/50/37/13/806503713.db2.gz MSKLHDRBKOLRGJ-ZDUSSCGKSA-N 2 2 294.399 0.452 20 0 CCADLP C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235979971 806522233 /nfs/dbraw/zinc/52/22/33/806522233.db2.gz PCUYAMWKKJEGCC-LYOVBCGYSA-N 2 2 289.379 0.529 20 0 CCADLP C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235979971 806522238 /nfs/dbraw/zinc/52/22/38/806522238.db2.gz PCUYAMWKKJEGCC-LYOVBCGYSA-N 2 2 289.379 0.529 20 0 CCADLP COc1cc(C)c(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cn1 ZINC001235998908 806526769 /nfs/dbraw/zinc/52/67/69/806526769.db2.gz RJVBBPDZPCSWOW-NNQSOWQGSA-N 2 2 277.368 0.804 20 0 CCADLP COc1cc(C)c(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cn1 ZINC001235998908 806526771 /nfs/dbraw/zinc/52/67/71/806526771.db2.gz RJVBBPDZPCSWOW-NNQSOWQGSA-N 2 2 277.368 0.804 20 0 CCADLP COC(=O)C[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001236041807 806534504 /nfs/dbraw/zinc/53/45/04/806534504.db2.gz KWUDNICWJNPCOA-RYUDHWBXSA-N 2 2 270.373 0.986 20 0 CCADLP COC(=O)C[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001236041807 806534509 /nfs/dbraw/zinc/53/45/09/806534509.db2.gz KWUDNICWJNPCOA-RYUDHWBXSA-N 2 2 270.373 0.986 20 0 CCADLP COC(=O)[C@@H]1C[NH2+]CCN1Cc1c[nH+]c2c(C)cccn12 ZINC001236052738 806534812 /nfs/dbraw/zinc/53/48/12/806534812.db2.gz FHKJPONCLMXRFR-ZDUSSCGKSA-N 2 2 288.351 0.590 20 0 CCADLP CCOC(=O)[C@]12C[N@H+](C[C@@H]3CCC[NH2+]C3)C[C@H]1C[NH2+]CC2 ZINC001236037449 806532917 /nfs/dbraw/zinc/53/29/17/806532917.db2.gz IHWHKMPGRBOUJD-IIAWOOMASA-N 3 2 295.427 0.461 20 0 CCADLP CCOC(=O)[C@]12C[N@@H+](C[C@@H]3CCC[NH2+]C3)C[C@H]1C[NH2+]CC2 ZINC001236037449 806532920 /nfs/dbraw/zinc/53/29/20/806532920.db2.gz IHWHKMPGRBOUJD-IIAWOOMASA-N 3 2 295.427 0.461 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC(N3CCCC3=O)CC2)O1 ZINC001236071832 806540851 /nfs/dbraw/zinc/54/08/51/806540851.db2.gz JZSJVUFDDUDRBM-ZDUSSCGKSA-N 2 2 281.400 0.798 20 0 CCADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(NS(C)(=O)=O)cc1 ZINC001236905162 806618691 /nfs/dbraw/zinc/61/86/91/806618691.db2.gz YSDVWJRBTZKLLV-JTQLQIEISA-N 2 2 271.386 0.837 20 0 CCADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(NS(C)(=O)=O)cc1 ZINC001236905162 806618693 /nfs/dbraw/zinc/61/86/93/806618693.db2.gz YSDVWJRBTZKLLV-JTQLQIEISA-N 2 2 271.386 0.837 20 0 CCADLP C[NH+](C)CCCN1CC2(CC[N@@H+]2Cc2cn[nH]c2)C1 ZINC001278049410 806637510 /nfs/dbraw/zinc/63/75/10/806637510.db2.gz IWCDCRCHBVMWNC-UHFFFAOYSA-N 2 2 263.389 0.622 20 0 CCADLP C[NH+](C)CCCN1CC2(CC[N@H+]2Cc2cn[nH]c2)C1 ZINC001278049410 806637519 /nfs/dbraw/zinc/63/75/19/806637519.db2.gz IWCDCRCHBVMWNC-UHFFFAOYSA-N 2 2 263.389 0.622 20 0 CCADLP C[NH+](C)CCCN1C[C@@H]2C[N@@H+](Cc3ccc[nH]3)C[C@H](C1)O2 ZINC001278049068 806637663 /nfs/dbraw/zinc/63/76/63/806637663.db2.gz FBFKVZZTTKPZKT-IYBDPMFKSA-N 2 2 292.427 0.851 20 0 CCADLP C[NH+](C)CCCN1C[C@@H]2C[N@H+](Cc3ccc[nH]3)C[C@H](C1)O2 ZINC001278049068 806637668 /nfs/dbraw/zinc/63/76/68/806637668.db2.gz FBFKVZZTTKPZKT-IYBDPMFKSA-N 2 2 292.427 0.851 20 0 CCADLP C[NH+](C)CCC[N@@H+]1C[C@@H]2OCCN(Cc3cn[nH]c3)[C@H]2C1 ZINC001278048788 806638155 /nfs/dbraw/zinc/63/81/55/806638155.db2.gz DBKQXOADCXZDIX-GJZGRUSLSA-N 2 2 293.415 0.246 20 0 CCADLP C[NH+](C)CCC[N@H+]1C[C@@H]2OCCN(Cc3cn[nH]c3)[C@H]2C1 ZINC001278048788 806638159 /nfs/dbraw/zinc/63/81/59/806638159.db2.gz DBKQXOADCXZDIX-GJZGRUSLSA-N 2 2 293.415 0.246 20 0 CCADLP C[NH+](C)CCCN1CC2(C1)C[NH+](Cc1cn[nH]c1)C2 ZINC001278049764 806639099 /nfs/dbraw/zinc/63/90/99/806639099.db2.gz QHPVOGZMXQKLQO-UHFFFAOYSA-N 2 2 263.389 0.479 20 0 CCADLP c1n[nH]cc1C[NH+]1CC2(CN(CC[NH+]3CCCC3)C2)C1 ZINC001278055191 806640767 /nfs/dbraw/zinc/64/07/67/806640767.db2.gz BDSKHAQERCBKFY-UHFFFAOYSA-N 2 2 275.400 0.623 20 0 CCADLP CC1(C)CCN1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001120557703 798865030 /nfs/dbraw/zinc/86/50/30/798865030.db2.gz MKQMQDFIORKGTO-UHFFFAOYSA-N 2 2 254.378 0.603 20 0 CCADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)C1(O)CCCC1 ZINC001120563613 798866978 /nfs/dbraw/zinc/86/69/78/798866978.db2.gz ULOMSWLTVCSRPD-STQMWFEESA-N 2 2 256.390 0.726 20 0 CCADLP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)C1(O)CCCC1 ZINC001120563613 798866983 /nfs/dbraw/zinc/86/69/83/798866983.db2.gz ULOMSWLTVCSRPD-STQMWFEESA-N 2 2 256.390 0.726 20 0 CCADLP C[C@H]1CCN(C(=O)NCC[NH+]2CCC([NH3+])CC2)[C@H]1C ZINC001120647742 798902555 /nfs/dbraw/zinc/90/25/55/798902555.db2.gz DENRYEUTUOMKEW-RYUDHWBXSA-N 2 2 268.405 0.849 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)Nc1nccnc1C[NH3+] ZINC001120875487 798953834 /nfs/dbraw/zinc/95/38/34/798953834.db2.gz XZJUHZNNLLBSBI-NSHDSACASA-N 2 2 265.361 0.458 20 0 CCADLP Cc1nc(N[C@H](CO)CNC(=O)C[N@@H+](C)C(C)C)cc[nH+]1 ZINC001121670799 799063261 /nfs/dbraw/zinc/06/32/61/799063261.db2.gz UXTYKBROJVNJHV-LBPRGKRZSA-N 2 2 295.387 0.014 20 0 CCADLP Cc1nc(N[C@H](CO)CNC(=O)C[N@H+](C)C(C)C)cc[nH+]1 ZINC001121670799 799063267 /nfs/dbraw/zinc/06/32/67/799063267.db2.gz UXTYKBROJVNJHV-LBPRGKRZSA-N 2 2 295.387 0.014 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@]1(C)CC[NH2+]C1 ZINC001122254550 799179902 /nfs/dbraw/zinc/17/99/02/799179902.db2.gz OWRMKJWQPBNOOU-GXTWGEPZSA-N 2 2 269.389 0.213 20 0 CCADLP CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001161177074 799682577 /nfs/dbraw/zinc/68/25/77/799682577.db2.gz ZMAKPGPDIWAAFS-BZPMIXESSA-N 3 2 291.399 0.080 20 0 CCADLP Cc1nn(C)c(C)c1C[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001203063562 799939424 /nfs/dbraw/zinc/93/94/24/799939424.db2.gz NHOVUICKBFPCMH-UHFFFAOYSA-N 2 2 279.432 0.716 20 0 CCADLP COC(=O)[C@H]1C[N@H+](C)CCN1Cc1c[nH]c2cc[nH+]cc12 ZINC001140805468 799943347 /nfs/dbraw/zinc/94/33/47/799943347.db2.gz GHLVRNCHUQENJJ-CQSZACIVSA-N 2 2 288.351 0.852 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](C)CCN1Cc1c[nH]c2cc[nH+]cc12 ZINC001140805468 799943357 /nfs/dbraw/zinc/94/33/57/799943357.db2.gz GHLVRNCHUQENJJ-CQSZACIVSA-N 2 2 288.351 0.852 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](Cc2cnco2)CCC1=O ZINC001140932472 799960188 /nfs/dbraw/zinc/96/01/88/799960188.db2.gz PIVNDRVHGBLZOT-UHFFFAOYSA-N 2 2 266.345 0.271 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](Cc2cnco2)CCC1=O ZINC001140932472 799960199 /nfs/dbraw/zinc/96/01/99/799960199.db2.gz PIVNDRVHGBLZOT-UHFFFAOYSA-N 2 2 266.345 0.271 20 0 CCADLP Cc1nccnc1C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001140937661 799961736 /nfs/dbraw/zinc/96/17/36/799961736.db2.gz SJSIFOLNRJGJIT-UHFFFAOYSA-N 2 2 289.427 0.997 20 0 CCADLP C[NH+]1CC2(C1)CCCN(C(=O)N1CC[NH+](C)CC1)C2 ZINC001278270671 806800305 /nfs/dbraw/zinc/80/03/05/806800305.db2.gz JOMNPSGPEZEFAU-UHFFFAOYSA-N 2 2 266.389 0.381 20 0 CCADLP CN(C)c1cc[nH+]cc1NC(=O)CC[NH+]1CCN(C)CC1 ZINC001143223770 800209076 /nfs/dbraw/zinc/20/90/76/800209076.db2.gz IPCVCCAUIZVIQW-UHFFFAOYSA-N 2 2 291.399 0.724 20 0 CCADLP [NH3+]CC[NH2+]CCNS(=O)(=O)c1csc2ccccc21 ZINC001238838274 806812103 /nfs/dbraw/zinc/81/21/03/806812103.db2.gz HQFIHPRVYLRLJV-UHFFFAOYSA-N 2 2 299.421 0.728 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]CC1CCC1 ZINC001149571027 800276458 /nfs/dbraw/zinc/27/64/58/800276458.db2.gz LQYOGOFLFOEWAH-UHFFFAOYSA-N 2 2 264.373 0.859 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]CC[C@H]1CCOC1 ZINC001149571170 800277092 /nfs/dbraw/zinc/27/70/92/800277092.db2.gz RIOHPDQWVPANCT-ZDUSSCGKSA-N 2 2 294.399 0.485 20 0 CCADLP C[C@H]1CC[C@H](C[NH2+]CCNC(=O)CCc2c[nH+]cn2C)O1 ZINC001149565124 800277147 /nfs/dbraw/zinc/27/71/47/800277147.db2.gz ZLZCUEGUPQXTBC-GXTWGEPZSA-N 2 2 294.399 0.626 20 0 CCADLP CC(C)c1cnc(C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001151064658 800393653 /nfs/dbraw/zinc/39/36/53/800393653.db2.gz CRYUPDLJXQBVFB-LBPRGKRZSA-N 2 2 294.399 0.956 20 0 CCADLP CC(C)c1cnc(C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001151064658 800393660 /nfs/dbraw/zinc/39/36/60/800393660.db2.gz CRYUPDLJXQBVFB-LBPRGKRZSA-N 2 2 294.399 0.956 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[NH2+]Cc1nccs1 ZINC001151147039 800403639 /nfs/dbraw/zinc/40/36/39/800403639.db2.gz FDSZVRBHQPFKKZ-UHFFFAOYSA-N 2 2 279.369 0.554 20 0 CCADLP O=C(NCC[NH2+]CC1CCC1)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001151815193 800461483 /nfs/dbraw/zinc/46/14/83/800461483.db2.gz QWMMBNRPYCBTCX-HNNXBMFYSA-N 2 2 295.427 0.603 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NCC[NH2+][C@H](C)c1ncccn1 ZINC001152432173 800521774 /nfs/dbraw/zinc/52/17/74/800521774.db2.gz IELVZDAYPIDYTB-GFCCVEGCSA-N 2 2 279.388 0.584 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NCC[NH2+][C@H](C)c1ncccn1 ZINC001152432173 800521782 /nfs/dbraw/zinc/52/17/82/800521782.db2.gz IELVZDAYPIDYTB-GFCCVEGCSA-N 2 2 279.388 0.584 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1nncs1 ZINC001152458987 800525368 /nfs/dbraw/zinc/52/53/68/800525368.db2.gz WEMNGWMWXLFKGW-LLVKDONJSA-N 2 2 297.428 0.618 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1nncs1 ZINC001152458987 800525372 /nfs/dbraw/zinc/52/53/72/800525372.db2.gz WEMNGWMWXLFKGW-LLVKDONJSA-N 2 2 297.428 0.618 20 0 CCADLP CCOCC[NH2+]CCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001152617924 800542499 /nfs/dbraw/zinc/54/24/99/800542499.db2.gz FXPWNVUJOQJYQF-AWEZNQCLSA-N 2 2 294.399 0.427 20 0 CCADLP Cc1cc(C[NH2+]CCNC(=O)CCCn2cc[nH+]c2)on1 ZINC001153339078 800623862 /nfs/dbraw/zinc/62/38/62/800623862.db2.gz FVCXPDQHOVSECL-UHFFFAOYSA-N 2 2 291.355 0.866 20 0 CCADLP CC(C)OCC[NH2+]CCNC(=O)CCCn1cc[nH+]c1 ZINC001153350670 800624737 /nfs/dbraw/zinc/62/47/37/800624737.db2.gz HTPJLRZUJQILFJ-UHFFFAOYSA-N 2 2 282.388 0.794 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)c1nc2c(s1)C[N@H+](C)CC2 ZINC001154222540 800744017 /nfs/dbraw/zinc/74/40/17/800744017.db2.gz GLRSYSUVGBRXMA-VIFPVBQESA-N 2 2 282.413 0.811 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)c1nc2c(s1)C[N@@H+](C)CC2 ZINC001154222540 800744019 /nfs/dbraw/zinc/74/40/19/800744019.db2.gz GLRSYSUVGBRXMA-VIFPVBQESA-N 2 2 282.413 0.811 20 0 CCADLP CCOC(=O)[C@]12CN(c3ccc(N)c[nH+]3)C[C@H]1C[NH2+]CC2 ZINC001154681395 800830658 /nfs/dbraw/zinc/83/06/58/800830658.db2.gz WMTSXHWPDOGMDL-IAQYHMDHSA-N 2 2 290.367 0.643 20 0 CCADLP COc1cc[nH+]c(N2CCOC[C@@H]2C[NH+](C)C)c1 ZINC001154960680 800880021 /nfs/dbraw/zinc/88/00/21/800880021.db2.gz FIYCQFZTVRBYST-NSHDSACASA-N 2 2 251.330 0.857 20 0 CCADLP CCOCC[N@H+](CC)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155470237 800983426 /nfs/dbraw/zinc/98/34/26/800983426.db2.gz OODOQFGKBDUGBF-GFCCVEGCSA-N 2 2 282.388 0.815 20 0 CCADLP CCOCC[N@@H+](CC)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155470237 800983432 /nfs/dbraw/zinc/98/34/32/800983432.db2.gz OODOQFGKBDUGBF-GFCCVEGCSA-N 2 2 282.388 0.815 20 0 CCADLP Cc1cc[nH+]c(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)c1C(N)=O ZINC001155617868 801022705 /nfs/dbraw/zinc/02/27/05/801022705.db2.gz BBIUVGHADPCLCT-IAQYHMDHSA-N 2 2 290.367 0.812 20 0 CCADLP Nc1cc(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)[nH+]cn1 ZINC001155832765 801059777 /nfs/dbraw/zinc/05/97/77/801059777.db2.gz BFIHYGZGJCVIFD-GXFFZTMASA-N 2 2 263.345 0.772 20 0 CCADLP Cc1[nH+]ccn1CCNc1cc[nH+]c(N2CCOCC2)n1 ZINC001156009989 801093393 /nfs/dbraw/zinc/09/33/93/801093393.db2.gz DMFFTLQRPRRQAK-UHFFFAOYSA-N 2 2 288.355 0.930 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Nc2cc(-n3ccnc3)cc[nH+]2)C[NH2+]1 ZINC001156249598 801140058 /nfs/dbraw/zinc/14/00/58/801140058.db2.gz NRFGHFTUHXXYNN-JQWIXIFHSA-N 2 2 287.323 0.583 20 0 CCADLP Cc1cc(N(C(N)=[NH2+])C(=O)[C@H]2C[C@@H](C)CC[NH2+]2)n[nH]1 ZINC001157439562 801381662 /nfs/dbraw/zinc/38/16/62/801381662.db2.gz KDHMOATUBQMRDH-IONNQARKSA-N 2 2 264.333 0.333 20 0 CCADLP CC(C)(C)C1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC1 ZINC001157693711 801457934 /nfs/dbraw/zinc/45/79/34/801457934.db2.gz BIAGURYTXWTXQY-RYUDHWBXSA-N 2 2 253.390 0.818 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2CC[C@@H](O)[C@H](F)C2)cc1 ZINC001157856974 801504922 /nfs/dbraw/zinc/50/49/22/801504922.db2.gz YJNQAYSYEBEFGE-JHJVBQTASA-N 2 2 281.331 0.190 20 0 CCADLP CN1C[C@@H](CNc2ccc(N3CC[NH2+]CC3)c[nH+]2)CC1=O ZINC001157909091 801517808 /nfs/dbraw/zinc/51/78/08/801517808.db2.gz LPFJKOOULZJLBI-GFCCVEGCSA-N 2 2 289.383 0.381 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cc(Cl)ncc2C(N)=O)CC1 ZINC001157915179 801520199 /nfs/dbraw/zinc/52/01/99/801520199.db2.gz TUKZXJKDLVSOHZ-UHFFFAOYSA-N 2 2 296.762 0.428 20 0 CCADLP C[C@]1(F)CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C[C@@H]1F ZINC001157923488 801522092 /nfs/dbraw/zinc/52/20/92/801522092.db2.gz DXMLNAXOBSQZEE-JPYZYGQNSA-N 2 2 273.327 0.235 20 0 CCADLP [NH3+]Cc1nnnn1-c1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001158076706 801564312 /nfs/dbraw/zinc/56/43/12/801564312.db2.gz HNQHKXKVHMVMKD-UHFFFAOYSA-N 2 2 293.762 0.765 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncnc2cnccc21 ZINC001158204952 801593335 /nfs/dbraw/zinc/59/33/35/801593335.db2.gz XLCPACPIFXKKLN-SECBINFHSA-N 2 2 270.296 0.073 20 0 CCADLP Nc1ccc(CCC(=O)N2CC[C@@H]3[NH2+]CC[C@H]32)c[nH+]1 ZINC001158207769 801593735 /nfs/dbraw/zinc/59/37/35/801593735.db2.gz DJNDRNFTDZKGGR-NWDGAFQWSA-N 2 2 260.341 0.559 20 0 CCADLP CSCc1ccnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1 ZINC001158209539 801597251 /nfs/dbraw/zinc/59/72/51/801597251.db2.gz XJDPGMFDGQHBFK-LLVKDONJSA-N 2 2 278.381 0.992 20 0 CCADLP [NH3+][C@H]1CC[N@@H+](C2CCN(c3ncnc4cc[nH]c43)CC2)C1 ZINC001158259176 801608796 /nfs/dbraw/zinc/60/87/96/801608796.db2.gz OSYXXJAJAWCATB-NSHDSACASA-N 2 2 286.383 0.960 20 0 CCADLP [NH3+][C@H]1CC[N@H+](C2CCN(c3ncnc4cc[nH]c43)CC2)C1 ZINC001158259176 801608799 /nfs/dbraw/zinc/60/87/99/801608799.db2.gz OSYXXJAJAWCATB-NSHDSACASA-N 2 2 286.383 0.960 20 0 CCADLP Nc1cccc(C[NH+]2CCN(c3cc(N)[nH+]cn3)CC2)c1 ZINC001158481390 801656749 /nfs/dbraw/zinc/65/67/49/801656749.db2.gz CNFBFPKIATYBNZ-UHFFFAOYSA-N 2 2 284.367 0.963 20 0 CCADLP C[NH+]1CCC(N(c2cc(N)[nH+]cn2)C2CC[NH2+]CC2)CC1 ZINC001158589456 801670079 /nfs/dbraw/zinc/67/00/79/801670079.db2.gz RBPVKBKQLCCHRV-UHFFFAOYSA-N 3 2 290.415 0.711 20 0 CCADLP CC(C)(C)[NH2+]CC(=O)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001159096997 801759663 /nfs/dbraw/zinc/75/96/63/801759663.db2.gz ALQQRKIJUQPNSA-QWRGUYRKSA-N 2 2 257.353 0.629 20 0 CCADLP CC(C)(C)[NH2+]CC(=O)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001159096997 801759666 /nfs/dbraw/zinc/75/96/66/801759666.db2.gz ALQQRKIJUQPNSA-QWRGUYRKSA-N 2 2 257.353 0.629 20 0 CCADLP CCOc1ccc[nH+]c1NCCOCCOCC[NH3+] ZINC001159447351 801807975 /nfs/dbraw/zinc/80/79/75/801807975.db2.gz NZMQRLYCKKZTIY-UHFFFAOYSA-N 2 2 269.345 0.884 20 0 CCADLP CC[C@@]([NH3+])(CO)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC001159742882 801858600 /nfs/dbraw/zinc/85/86/00/801858600.db2.gz FFFQJHVRMTVDHG-ZDUSSCGKSA-N 2 2 265.361 0.936 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](c2cccnc2)C1 ZINC001160524629 801962316 /nfs/dbraw/zinc/96/23/16/801962316.db2.gz NUCZVWKIFNYULW-TZMCWYRMSA-N 2 2 285.351 0.691 20 0 CCADLP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001160576711 801974410 /nfs/dbraw/zinc/97/44/10/801974410.db2.gz ALGLHXFQNHUECY-WLRWDXFRSA-N 2 2 289.445 0.025 20 0 CCADLP CN(C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)C1(C)COC1 ZINC001160666982 801994642 /nfs/dbraw/zinc/99/46/42/801994642.db2.gz BAVNEGWFARJTRM-GFCCVEGCSA-N 2 2 263.341 0.506 20 0 CCADLP CC(C)[C@H]1COCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001160669332 801995966 /nfs/dbraw/zinc/99/59/66/801995966.db2.gz BFBNBVNYVNBIRH-QWHCGFSZSA-N 2 2 280.372 0.173 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCCC[NH2+]CCCO)c[nH+]1 ZINC001160826241 802023816 /nfs/dbraw/zinc/02/38/16/802023816.db2.gz FEMVXIMWOWUXKM-UHFFFAOYSA-N 2 2 282.388 0.405 20 0 CCADLP COC(=O)C[C@@H]1CCCN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001160832142 802024247 /nfs/dbraw/zinc/02/42/47/802024247.db2.gz FZCBFPRWWLRLMB-CMPLNLGQSA-N 2 2 294.355 0.081 20 0 CCADLP [NH3+]CCN(CCNc1nc(NC2CC2)cc[nH+]1)N(O)N=O ZINC001161087354 802086548 /nfs/dbraw/zinc/08/65/48/802086548.db2.gz MUDPLXDVVONEFN-UHFFFAOYSA-N 2 2 296.335 0.011 20 0 CCADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)C1CCC(C[NH3+])CC1 ZINC001161238017 802114054 /nfs/dbraw/zinc/11/40/54/802114054.db2.gz QDUPGABJPCRTPR-WXRRBKDZSA-N 2 2 297.399 0.067 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)C1CCC(C[NH3+])CC1 ZINC001161238017 802114060 /nfs/dbraw/zinc/11/40/60/802114060.db2.gz QDUPGABJPCRTPR-WXRRBKDZSA-N 2 2 297.399 0.067 20 0 CCADLP CO[C@H](C)C[NH2+]CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001161308705 802123901 /nfs/dbraw/zinc/12/39/01/802123901.db2.gz DILALHUHNOBLSJ-CHWSQXEVSA-N 2 2 294.399 0.576 20 0 CCADLP N=c1ncc(C[NH3+])cn1-c1cc(N2CCCC2)cc[nH+]1 ZINC001161415467 802148743 /nfs/dbraw/zinc/14/87/43/802148743.db2.gz JVTXEOVMUOBKSC-UHFFFAOYSA-N 2 2 270.340 0.806 20 0 CCADLP [NH3+]C1(C(=O)N2CCc3cc(F)c(F)cc3C2)CC[NH2+]CC1 ZINC001161514243 802168344 /nfs/dbraw/zinc/16/83/44/802168344.db2.gz MFAMCNKYGVAYDY-UHFFFAOYSA-N 2 2 295.333 0.930 20 0 CCADLP COCC[N@H+]1CC=C(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001161554751 802178484 /nfs/dbraw/zinc/17/84/84/802178484.db2.gz RHIZSVCJYWZHGZ-UHFFFAOYSA-N 2 2 292.383 0.737 20 0 CCADLP COCC[N@@H+]1CC=C(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001161554751 802178492 /nfs/dbraw/zinc/17/84/92/802178492.db2.gz RHIZSVCJYWZHGZ-UHFFFAOYSA-N 2 2 292.383 0.737 20 0 CCADLP c1cn(CCCNc2ncc3c(n2)C[NH2+]CC3)c[nH+]1 ZINC001161681031 802198690 /nfs/dbraw/zinc/19/86/90/802198690.db2.gz GWDOYIQPCBLELL-UHFFFAOYSA-N 2 2 258.329 0.821 20 0 CCADLP c1cn(CCCNc2ccnc(N3CC[NH2+]CC3)n2)c[nH+]1 ZINC001161681281 802199073 /nfs/dbraw/zinc/19/90/73/802199073.db2.gz OQTSBSGPBQESJJ-UHFFFAOYSA-N 2 2 287.371 0.585 20 0 CCADLP CN(C)c1cc[nH+]c(NCCCN2CC[NH+](C)CC2)n1 ZINC001161700547 802203554 /nfs/dbraw/zinc/20/35/54/802203554.db2.gz JBSALSRMYLRTCL-UHFFFAOYSA-N 2 2 278.404 0.592 20 0 CCADLP CCOC(=O)[C@H]([NH3+])CNc1cc(N(C)C)cc[nH+]1 ZINC001161949797 802254933 /nfs/dbraw/zinc/25/49/33/802254933.db2.gz AYANZHIHZXZKTG-SNVBAGLBSA-N 2 2 252.318 0.450 20 0 CCADLP CCOC(=O)c1c(C[NH3+])ncn1/C(C)=C/C=C/[NH3+] ZINC001162537539 802359161 /nfs/dbraw/zinc/35/91/61/802359161.db2.gz OEXJXYZEWBHQCT-REZHQCRGSA-N 2 2 250.302 0.852 20 0 CCADLP COc1ccc2[nH+]ccc(NC[C@H]3C[N@H+](C)CCO3)c2n1 ZINC001162688042 802394709 /nfs/dbraw/zinc/39/47/09/802394709.db2.gz IDFPQZVXJYJMCP-NSHDSACASA-N 2 2 288.351 0.803 20 0 CCADLP COc1ccc2[nH+]ccc(NC[C@H]3C[N@@H+](C)CCO3)c2n1 ZINC001162688042 802394719 /nfs/dbraw/zinc/39/47/19/802394719.db2.gz IDFPQZVXJYJMCP-NSHDSACASA-N 2 2 288.351 0.803 20 0 CCADLP Cc1cc(N(C(N)=[NH2+])c2ncc(C)cc2C[NH3+])[nH]n1 ZINC001163510439 802565298 /nfs/dbraw/zinc/56/52/98/802565298.db2.gz XFPVDVYAWCPOGP-UHFFFAOYSA-N 2 2 259.317 0.912 20 0 CCADLP C[NH+](C)C1(CNc2c(F)ccc[n+]2[O-])CC[NH+](C)CC1 ZINC001164206734 802687713 /nfs/dbraw/zinc/68/77/13/802687713.db2.gz ALUOXSKLNFTJND-UHFFFAOYSA-N 2 2 282.363 0.897 20 0 CCADLP [NH3+][C@@H]1CN(c2ncnc3c2C[NH2+]C3)CCC1(F)F ZINC001164319710 802721689 /nfs/dbraw/zinc/72/16/89/802721689.db2.gz MYZSNPSRZKNZAJ-SECBINFHSA-N 2 2 255.272 0.253 20 0 CCADLP [NH3+]CC1(F)CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001165263492 802807443 /nfs/dbraw/zinc/80/74/43/802807443.db2.gz YBOJQADPMITQBG-UHFFFAOYSA-N 2 2 295.362 0.580 20 0 CCADLP [NH3+]CC1(F)CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001165263492 802807448 /nfs/dbraw/zinc/80/74/48/802807448.db2.gz YBOJQADPMITQBG-UHFFFAOYSA-N 2 2 295.362 0.580 20 0 CCADLP COc1c[nH+]c(N2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)nc1NC(C)C ZINC001165381093 802830170 /nfs/dbraw/zinc/83/01/70/802830170.db2.gz MZOKVVPJOCHYMU-DOFRTFSJSA-N 2 2 263.345 0.699 20 0 CCADLP COCC[NH2+]CC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001104836524 811737797 /nfs/dbraw/zinc/73/77/97/811737797.db2.gz QNGANULKEHCPMQ-CHWSQXEVSA-N 2 2 294.399 0.673 20 0 CCADLP Cn1ncc2c1CN(c1ccc(N3CC[NH2+]CC3)c[nH+]1)C2 ZINC001166762059 802958494 /nfs/dbraw/zinc/95/84/94/802958494.db2.gz CBRIGXFYJKZRFC-UHFFFAOYSA-N 2 2 284.367 0.745 20 0 CCADLP Cn1cccc1C[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001203264822 803024631 /nfs/dbraw/zinc/02/46/31/803024631.db2.gz BNCSZAGYVOYXEH-UHFFFAOYSA-N 2 2 250.390 0.704 20 0 CCADLP Cn1cccc1C[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001203264822 803024638 /nfs/dbraw/zinc/02/46/38/803024638.db2.gz BNCSZAGYVOYXEH-UHFFFAOYSA-N 2 2 250.390 0.704 20 0 CCADLP COCC[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001203530339 803032987 /nfs/dbraw/zinc/03/29/87/803032987.db2.gz HKTCYLJSPUBNQY-RYUDHWBXSA-N 2 2 292.383 0.616 20 0 CCADLP C[C@@H](O)C[NH2+]CC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001205432795 803141866 /nfs/dbraw/zinc/14/18/66/803141866.db2.gz HSTAGPLRTOZNMO-GFCCVEGCSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](O)C[NH2+]CC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001205432795 803141870 /nfs/dbraw/zinc/14/18/70/803141870.db2.gz HSTAGPLRTOZNMO-GFCCVEGCSA-N 2 2 294.399 0.551 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](CCc2c(F)cccc2F)C[C@H]1O ZINC001206455474 803244762 /nfs/dbraw/zinc/24/47/62/803244762.db2.gz KTUARKMFHGNBSK-TVQRCGJNSA-N 2 2 256.296 0.759 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CCc2c(F)cccc2F)C[C@H]1O ZINC001206455474 803244766 /nfs/dbraw/zinc/24/47/66/803244766.db2.gz KTUARKMFHGNBSK-TVQRCGJNSA-N 2 2 256.296 0.759 20 0 CCADLP CCOc1ncc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1C ZINC001206480764 803252204 /nfs/dbraw/zinc/25/22/04/803252204.db2.gz JYRYWAPUHOSHMW-QWHCGFSZSA-N 2 2 265.357 0.540 20 0 CCADLP CCOc1ncc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1C ZINC001206480764 803252206 /nfs/dbraw/zinc/25/22/06/803252206.db2.gz JYRYWAPUHOSHMW-QWHCGFSZSA-N 2 2 265.357 0.540 20 0 CCADLP COc1c(F)cccc1C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206525204 803259580 /nfs/dbraw/zinc/25/95/80/803259580.db2.gz KVGQFRIRKDRIAB-JQWIXIFHSA-N 2 2 254.305 0.586 20 0 CCADLP COc1c(F)cccc1C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206525204 803259574 /nfs/dbraw/zinc/25/95/74/803259574.db2.gz KVGQFRIRKDRIAB-JQWIXIFHSA-N 2 2 254.305 0.586 20 0 CCADLP C[C@@H](O)C[NH2+]CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001206684163 803278068 /nfs/dbraw/zinc/27/80/68/803278068.db2.gz WJLCOELHJYHKDZ-LLVKDONJSA-N 2 2 280.372 0.161 20 0 CCADLP COC(=O)CC[N@@H+](CCC[NH+](C)C)CC(OC)OC ZINC001207253893 803374308 /nfs/dbraw/zinc/37/43/08/803374308.db2.gz WAAMKXNRLAQVGN-UHFFFAOYSA-N 2 2 276.377 0.422 20 0 CCADLP COC(=O)CC[N@H+](CCC[NH+](C)C)CC(OC)OC ZINC001207253893 803374313 /nfs/dbraw/zinc/37/43/13/803374313.db2.gz WAAMKXNRLAQVGN-UHFFFAOYSA-N 2 2 276.377 0.422 20 0 CCADLP Cc1noc(C)c1C[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001207139946 803359083 /nfs/dbraw/zinc/35/90/83/803359083.db2.gz RFCWOYOPQWTJHL-UHFFFAOYSA-N 2 2 266.389 0.971 20 0 CCADLP COCC[N@@H+]1CCO[C@@H]2C[NH+](CCN(C)C)CC[C@@H]2C1 ZINC001208127096 803493203 /nfs/dbraw/zinc/49/32/03/803493203.db2.gz KQWPSCVJSFMZNU-HUUCEWRRSA-N 2 2 285.432 0.217 20 0 CCADLP COCC[N@H+]1CCO[C@@H]2C[NH+](CCN(C)C)CC[C@@H]2C1 ZINC001208127096 803493207 /nfs/dbraw/zinc/49/32/07/803493207.db2.gz KQWPSCVJSFMZNU-HUUCEWRRSA-N 2 2 285.432 0.217 20 0 CCADLP COCC[NH+]1CCO[C@@H]2C[N@H+](CCN(C)C)CC[C@@H]2C1 ZINC001208127096 803493209 /nfs/dbraw/zinc/49/32/09/803493209.db2.gz KQWPSCVJSFMZNU-HUUCEWRRSA-N 2 2 285.432 0.217 20 0 CCADLP COCC[NH+]1CCO[C@@H]2C[N@@H+](CCN(C)C)CC[C@@H]2C1 ZINC001208127096 803493212 /nfs/dbraw/zinc/49/32/12/803493212.db2.gz KQWPSCVJSFMZNU-HUUCEWRRSA-N 2 2 285.432 0.217 20 0 CCADLP CO[C@@H](C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208252502 803500176 /nfs/dbraw/zinc/50/01/76/803500176.db2.gz PBPKGHPNAGIFOT-HZSPNIEDSA-N 2 2 294.399 0.745 20 0 CCADLP CO[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208252502 803500181 /nfs/dbraw/zinc/50/01/81/803500181.db2.gz PBPKGHPNAGIFOT-HZSPNIEDSA-N 2 2 294.399 0.745 20 0 CCADLP C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccncn3)CC2)C1 ZINC001208616861 803529726 /nfs/dbraw/zinc/52/97/26/803529726.db2.gz MPTSLQXMZJRONC-AWEZNQCLSA-N 2 2 275.400 0.940 20 0 CCADLP C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccncn3)CC2)C1 ZINC001208616861 803529732 /nfs/dbraw/zinc/52/97/32/803529732.db2.gz MPTSLQXMZJRONC-AWEZNQCLSA-N 2 2 275.400 0.940 20 0 CCADLP COCC[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001209211319 803581404 /nfs/dbraw/zinc/58/14/04/803581404.db2.gz XAVGEFLTAOBOKX-CABCVRRESA-N 2 2 278.400 0.820 20 0 CCADLP COCC[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001209211319 803581406 /nfs/dbraw/zinc/58/14/06/803581406.db2.gz XAVGEFLTAOBOKX-CABCVRRESA-N 2 2 278.400 0.820 20 0 CCADLP COCC[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001209211319 803581410 /nfs/dbraw/zinc/58/14/10/803581410.db2.gz XAVGEFLTAOBOKX-CABCVRRESA-N 2 2 278.400 0.820 20 0 CCADLP COCC[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001209211319 803581412 /nfs/dbraw/zinc/58/14/12/803581412.db2.gz XAVGEFLTAOBOKX-CABCVRRESA-N 2 2 278.400 0.820 20 0 CCADLP C[NH+](C)CCN1CC2(C1)C[NH+](CC(C)(C)C[NH+](C)C)C2 ZINC001276658688 803618136 /nfs/dbraw/zinc/61/81/36/803618136.db2.gz UHKLGZVAEJQFEJ-UHFFFAOYSA-N 3 2 282.476 0.753 20 0 CCADLP CO[C@@H]1CC[N@H+](CCOCC[NH+]2CCOCC2)C1 ZINC001210224594 803642721 /nfs/dbraw/zinc/64/27/21/803642721.db2.gz CCORMUJFMJLTSJ-CYBMUJFWSA-N 2 2 258.362 0.056 20 0 CCADLP CO[C@@H]1CC[N@@H+](CCOCC[NH+]2CCOCC2)C1 ZINC001210224594 803642725 /nfs/dbraw/zinc/64/27/25/803642725.db2.gz CCORMUJFMJLTSJ-CYBMUJFWSA-N 2 2 258.362 0.056 20 0 CCADLP [NH3+][C@H]1NC(CN2CC[NH2+][C@@H](Cc3ccccc3)C2)=CS1 ZINC001210265777 803644656 /nfs/dbraw/zinc/64/46/56/803644656.db2.gz ANPKITRLTPEHBK-ZFWWWQNUSA-N 2 2 290.436 0.923 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001210667556 803656549 /nfs/dbraw/zinc/65/65/49/803656549.db2.gz HAFRVWFZXKGTQT-STQMWFEESA-N 2 2 294.399 0.578 20 0 CCADLP [NH3+]C[C@H](O)c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001211414164 803680482 /nfs/dbraw/zinc/68/04/82/803680482.db2.gz KZRXMCKZMFLKMF-NSHDSACASA-N 2 2 271.280 0.914 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001216565886 803845489 /nfs/dbraw/zinc/84/54/89/803845489.db2.gz PGFYZRLBTNTSHU-UHIISALHSA-N 2 2 294.399 0.732 20 0 CCADLP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1cccc2[nH+]ccn21 ZINC001218496569 803962777 /nfs/dbraw/zinc/96/27/77/803962777.db2.gz FOFXQDQKBRMDNS-NSHDSACASA-N 3 2 275.356 0.990 20 0 CCADLP Cc1cnc(C)c(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)n1 ZINC001218496670 803962990 /nfs/dbraw/zinc/96/29/90/803962990.db2.gz OFMOFYDWQBIXOQ-JTQLQIEISA-N 2 2 260.301 0.325 20 0 CCADLP Cc1cc(C[C@H](C)NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)on1 ZINC001218500218 803966211 /nfs/dbraw/zinc/96/62/11/803966211.db2.gz DQPWWPNPDRHFQK-ZANVPECISA-N 2 2 291.355 0.334 20 0 CCADLP CSc1nccc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)n1 ZINC001218510322 803975869 /nfs/dbraw/zinc/97/58/69/803975869.db2.gz UIESUJXFJYNPEX-VIFPVBQESA-N 2 2 292.368 0.441 20 0 CCADLP CCOC(=O)c1c(C)csc1NC(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1 ZINC001218532177 803991069 /nfs/dbraw/zinc/99/10/69/803991069.db2.gz LSXRDQVFECUNAO-IUCAKERBSA-N 2 2 297.380 0.861 20 0 CCADLP CSc1nc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)cc(=O)[nH]1 ZINC001218584401 804020704 /nfs/dbraw/zinc/02/07/04/804020704.db2.gz QOHZYHVVJBJPAV-QHMRUWFYSA-N 2 2 295.368 0.064 20 0 CCADLP Cn1cc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c(C(F)(F)F)n1 ZINC001218598520 804030131 /nfs/dbraw/zinc/03/01/31/804030131.db2.gz KCLJZVQVVVIKGV-RITPCOANSA-N 2 2 277.250 0.067 20 0 CCADLP Cc1cccc2ncc(NC(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)n21 ZINC001218736235 804100468 /nfs/dbraw/zinc/10/04/68/804100468.db2.gz HQSVNIRNLUNDHZ-HFAKWTLXSA-N 2 2 285.351 0.803 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccnn1CC(F)(F)F ZINC001218752926 804110965 /nfs/dbraw/zinc/11/09/65/804110965.db2.gz ZTIDYMSDPJNBNY-LURJTMIESA-N 2 2 265.239 0.060 20 0 CCADLP COc1cc(OC)c(NC(=O)C2([NH3+])CC[NH2+]CC2)cn1 ZINC001218759609 804112430 /nfs/dbraw/zinc/11/24/30/804112430.db2.gz LUMVFAWGPZPYPQ-UHFFFAOYSA-N 2 2 280.328 0.118 20 0 CCADLP COc1cc(OC)c(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)cn1 ZINC001218759012 804113169 /nfs/dbraw/zinc/11/31/69/804113169.db2.gz DWDIENMXKMNSPK-SECBINFHSA-N 2 2 291.311 0.330 20 0 CCADLP CN(C)c1ccccc1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218835581 804137487 /nfs/dbraw/zinc/13/74/87/804137487.db2.gz GLSFFPXHDTYWRH-UHFFFAOYSA-N 2 2 262.357 0.772 20 0 CCADLP N[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001218847544 804138375 /nfs/dbraw/zinc/13/83/75/804138375.db2.gz ITWAMTUCDJSMOC-KBPBESRZSA-N 2 2 285.351 0.417 20 0 CCADLP Cn1nnc2cc(NC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)ccc21 ZINC001218877863 804143533 /nfs/dbraw/zinc/14/35/33/804143533.db2.gz KPKYTOZTLVHIKD-JTQLQIEISA-N 2 2 285.311 0.200 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1cccc2cnncc21 ZINC001218890508 804150000 /nfs/dbraw/zinc/15/00/00/804150000.db2.gz COSULDWGYWSLGU-ZDUSSCGKSA-N 2 2 296.334 0.872 20 0 CCADLP [NH3+]C1(C(=O)Nc2cccc3nccnc32)CC[NH2+]CC1 ZINC001218914242 804155894 /nfs/dbraw/zinc/15/58/94/804155894.db2.gz UMBATSYXMGUPMD-UHFFFAOYSA-N 2 2 271.324 0.649 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001218996332 804180632 /nfs/dbraw/zinc/18/06/32/804180632.db2.gz XHOQPPSZIMKBSB-IUODEOHRSA-N 3 2 299.378 0.995 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc2oc(=O)[nH]c2c1 ZINC001219152062 804220017 /nfs/dbraw/zinc/22/00/17/804220017.db2.gz LPMXRJODJQGEMM-ZETCQYMHSA-N 2 2 250.258 0.148 20 0 CCADLP COc1cc(C)c(NC(=O)[C@@H]([NH3+])CC[NH3+])cc1C ZINC001219391476 804296747 /nfs/dbraw/zinc/29/67/47/804296747.db2.gz XZEYNLNSWXGMSM-JTQLQIEISA-N 2 2 251.330 0.927 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@H]([NH3+])Cc2ccccc2F)C1 ZINC001219694465 804406137 /nfs/dbraw/zinc/40/61/37/804406137.db2.gz JDZRKYFTUFGMCG-TZMCWYRMSA-N 2 2 295.358 0.142 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)[C@H]([NH3+])Cc2ccccc2F)C1 ZINC001219694465 804406142 /nfs/dbraw/zinc/40/61/42/804406142.db2.gz JDZRKYFTUFGMCG-TZMCWYRMSA-N 2 2 295.358 0.142 20 0 CCADLP C[C@H]([NH3+])c1ncc(C(=O)NC[C@H]2C[N@H+](C)CCO2)s1 ZINC001219695202 804406180 /nfs/dbraw/zinc/40/61/80/804406180.db2.gz RCSMDYWISJQJHO-IUCAKERBSA-N 2 2 284.385 0.223 20 0 CCADLP C[C@H]([NH3+])c1ncc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)s1 ZINC001219695202 804406183 /nfs/dbraw/zinc/40/61/83/804406183.db2.gz RCSMDYWISJQJHO-IUCAKERBSA-N 2 2 284.385 0.223 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NC1CC2(C1)CC[NH2+]CC2 ZINC001219773591 804420028 /nfs/dbraw/zinc/42/00/28/804420028.db2.gz VJMJZOXUAPVDKP-UHFFFAOYSA-N 2 2 262.357 0.991 20 0 CCADLP Cc1ccc(CCNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c(C)c1 ZINC001219909954 804445043 /nfs/dbraw/zinc/44/50/43/804445043.db2.gz HZHJCGDKTRHLQT-KBPBESRZSA-N 2 2 261.369 0.509 20 0 CCADLP COC(=O)[C@@H]([NH3+])CC(=O)NCCC[NH2+]C1CCCCC1 ZINC001219952133 804456793 /nfs/dbraw/zinc/45/67/93/804456793.db2.gz PJECBAYOPQTBRN-LBPRGKRZSA-N 2 2 285.388 0.305 20 0 CCADLP CCC[NH+]1CCC(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)CC1 ZINC001219954109 804457670 /nfs/dbraw/zinc/45/76/70/804457670.db2.gz CZNUWJSOSVFIJW-AWEZNQCLSA-N 3 2 293.415 0.281 20 0 CCADLP CCCCOC(=O)[C@H](C)NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220049691 804485144 /nfs/dbraw/zinc/48/51/44/804485144.db2.gz OLDVRGUGDUIZPO-GXSJLCMTSA-N 2 2 282.344 0.128 20 0 CCADLP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220062435 804492216 /nfs/dbraw/zinc/49/22/16/804492216.db2.gz YEDJKLWZRMZTEA-UPJWGTAASA-N 3 2 268.405 0.056 20 0 CCADLP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220062435 804492218 /nfs/dbraw/zinc/49/22/18/804492218.db2.gz YEDJKLWZRMZTEA-UPJWGTAASA-N 3 2 268.405 0.056 20 0 CCADLP CCOC(=O)C(C)(C)NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220064147 804492419 /nfs/dbraw/zinc/49/24/19/804492419.db2.gz SMXJINSNALFXOJ-GFCCVEGCSA-N 2 2 293.367 0.717 20 0 CCADLP Cc1ccc(CNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c(F)c1F ZINC001220210117 804536924 /nfs/dbraw/zinc/53/69/24/804536924.db2.gz RPEJIQAOWWWEOB-UWVGGRQHSA-N 2 2 269.295 0.436 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NCCc2cnccn2)cc1 ZINC001220242468 804546741 /nfs/dbraw/zinc/54/67/41/804546741.db2.gz AKDJTLUBEYRZDJ-CQSZACIVSA-N 2 2 285.351 0.408 20 0 CCADLP Cc1ccc([C@H](C)NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)nc1 ZINC001220266742 804555123 /nfs/dbraw/zinc/55/51/23/804555123.db2.gz VNUUHODWBPTEAY-MDHDOXDCSA-N 2 2 274.368 0.789 20 0 CCADLP Cc1cccn2cc(CNC(=O)[C@@]34C[NH2+]C[C@@H]3CC[NH2+]4)nc12 ZINC001220278096 804559382 /nfs/dbraw/zinc/55/93/82/804559382.db2.gz CLUVKCHKFWTRLN-BLLLJJGKSA-N 2 2 299.378 0.210 20 0 CCADLP C[NH+]1CCC(NC(=O)NCc2ccc[nH+]c2N)CC1 ZINC001220499542 804617159 /nfs/dbraw/zinc/61/71/59/804617159.db2.gz WECGKZOZQDLCKE-UHFFFAOYSA-N 2 2 263.345 0.557 20 0 CCADLP [NH3+]C1(C(=O)NCc2cccc3ccnn32)CC[NH2+]CC1 ZINC001220553016 804623853 /nfs/dbraw/zinc/62/38/53/804623853.db2.gz CMJUAOKCHGZPNV-UHFFFAOYSA-N 2 2 273.340 0.031 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2ccn(Cc3ccccc3)n2)C1 ZINC001220706984 804651525 /nfs/dbraw/zinc/65/15/25/804651525.db2.gz MVNWAQLMHIFDMO-HIFRSBDPSA-N 2 2 299.378 0.237 20 0 CCADLP O=C(NCc1cc(F)cnc1Cl)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220811230 804671656 /nfs/dbraw/zinc/67/16/56/804671656.db2.gz ZHZWEYQGUVOILS-TVQRCGJNSA-N 2 2 298.749 0.442 20 0 CCADLP CC1(C)C[C@H](CNC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CCO1 ZINC001220953143 804706700 /nfs/dbraw/zinc/70/67/00/804706700.db2.gz MHDRADINZUKTDK-ZYHUDNBSSA-N 2 2 280.372 0.601 20 0 CCADLP [NH3+]CCC[C@@H]([NH3+])C(=O)NCc1c[nH+]cn1C1CCC1 ZINC001221023384 804721681 /nfs/dbraw/zinc/72/16/81/804721681.db2.gz JTMBTVNEBXKPBD-GFCCVEGCSA-N 3 2 265.361 0.291 20 0 CCADLP O=C(NCc1c[nH+]cn1C1CCC1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221024154 804721966 /nfs/dbraw/zinc/72/19/66/804721966.db2.gz ZTJNZVQIBXDFTD-ZDUSSCGKSA-N 3 2 289.383 0.033 20 0 CCADLP O=C(N[C@@H]1CCCc2cnccc21)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221292043 804767807 /nfs/dbraw/zinc/76/78/07/804767807.db2.gz CYXCLPNSAMZCQM-XNRPHZJLSA-N 2 2 286.379 0.527 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc2c(c1)CC(=O)N2 ZINC001221298595 804771178 /nfs/dbraw/zinc/77/11/78/804771178.db2.gz UZWJHCBOGLORRH-LBPRGKRZSA-N 2 2 299.334 0.091 20 0 CCADLP O=C(NCc1cncc2ccccc21)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221331652 804779005 /nfs/dbraw/zinc/77/90/05/804779005.db2.gz DZHBKLWTCCHHQW-RHSMWYFYSA-N 2 2 296.374 0.803 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001222092989 804866218 /nfs/dbraw/zinc/86/62/18/804866218.db2.gz ZMIGVACBFHDUNW-KGLIPLIRSA-N 2 2 294.399 0.625 20 0 CCADLP COCC[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222098802 804867910 /nfs/dbraw/zinc/86/79/10/804867910.db2.gz QBNGBCGEVJOOPK-GFCCVEGCSA-N 2 2 266.345 0.110 20 0 CCADLP COc1cnc(CN2CC[NH2+]C3(CC[NH2+]CC3)C2)cn1 ZINC001222099798 804869080 /nfs/dbraw/zinc/86/90/80/804869080.db2.gz LAEKDINFGLJWID-UHFFFAOYSA-N 2 2 277.372 0.013 20 0 CCADLP CC(=O)N1CCC[C@@H](CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)C1 ZINC001222492370 804906650 /nfs/dbraw/zinc/90/66/50/804906650.db2.gz UUVFFEXQIATLIU-PMPSAXMXSA-N 2 2 294.443 0.271 20 0 CCADLP Cc1[nH]c(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c(C)[nH+]1 ZINC001222506914 804910106 /nfs/dbraw/zinc/91/01/06/804910106.db2.gz HIAWWIDXEPWBCI-JSGCOSHPSA-N 3 2 263.389 0.552 20 0 CCADLP COCC[NH+]1CCC(CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001225285421 805118695 /nfs/dbraw/zinc/11/86/95/805118695.db2.gz NDDVHSIPUXSWEX-UHFFFAOYSA-N 2 2 294.399 0.735 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H](C[NH2+]CCCO)C1 ZINC001277058785 805144387 /nfs/dbraw/zinc/14/43/87/805144387.db2.gz OKUPGNAKRGEAHJ-JHJVBQTASA-N 2 2 294.399 0.455 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H](C[NH2+]CCCO)C1 ZINC001277058785 805144394 /nfs/dbraw/zinc/14/43/94/805144394.db2.gz OKUPGNAKRGEAHJ-JHJVBQTASA-N 2 2 294.399 0.455 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1C[NH2+]C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001245985035 807106772 /nfs/dbraw/zinc/10/67/72/807106772.db2.gz SECJJXYXCPKUPR-QSPRXWTASA-N 3 2 291.439 0.895 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1CC12C[NH2+]C2)c1ccc(F)c(F)c1 ZINC001246008947 807114462 /nfs/dbraw/zinc/11/44/62/807114462.db2.gz ICHAEWMULAWFEU-NWDGAFQWSA-N 2 2 254.280 0.950 20 0 CCADLP O[C@H](C[NH2+]C[C@@H]1C[NH2+]CCN1)COc1ccc(Cl)cc1 ZINC001246017777 807116955 /nfs/dbraw/zinc/11/69/55/807116955.db2.gz ZMVQWUXYNTYHIY-QWHCGFSZSA-N 2 2 299.802 0.231 20 0 CCADLP O[C@]1(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)CCC[NH2+]C1 ZINC001246023980 807122017 /nfs/dbraw/zinc/12/20/17/807122017.db2.gz NRTHSWBOCUDFCY-LSDHHAIUSA-N 3 2 267.417 0.567 20 0 CCADLP O[C@]1(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)CCC[NH2+]C1 ZINC001246023980 807122022 /nfs/dbraw/zinc/12/20/22/807122022.db2.gz NRTHSWBOCUDFCY-LSDHHAIUSA-N 3 2 267.417 0.567 20 0 CCADLP O[C@H](C[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21)c1ccccc1 ZINC001246027504 807125550 /nfs/dbraw/zinc/12/55/50/807125550.db2.gz XLXVYUNWFQNXEU-HRCADAONSA-N 2 2 275.396 0.746 20 0 CCADLP O[C@H](C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21)c1ccccc1 ZINC001246027504 807125555 /nfs/dbraw/zinc/12/55/55/807125555.db2.gz XLXVYUNWFQNXEU-HRCADAONSA-N 2 2 275.396 0.746 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[C@H](C)C[NH2+]2)CN1 ZINC001246109515 807155626 /nfs/dbraw/zinc/15/56/26/807155626.db2.gz XTOXEIRJRAHUFT-RNJOBUHISA-N 2 2 269.389 0.258 20 0 CCADLP C([NH2+][C@@H]1CSC2(C[NH2+]C2)C1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246148316 807167236 /nfs/dbraw/zinc/16/72/36/807167236.db2.gz RLRFAHICBMOCQJ-STQMWFEESA-N 4 2 296.484 0.298 20 0 CCADLP C[NH2+]CC[C@H](C)[NH2+][C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246160883 807172140 /nfs/dbraw/zinc/17/21/40/807172140.db2.gz PTPKVVCISACJID-MELADBBJSA-N 3 2 255.406 0.875 20 0 CCADLP C[C@@H]1CC[C@@H]([NH2+]CC2(N(C)C)CC[NH+](C)CC2)C[NH2+]1 ZINC001246181720 807179009 /nfs/dbraw/zinc/17/90/09/807179009.db2.gz XCWYZIJWAZJLMF-ZIAGYGMSSA-N 3 2 268.449 0.743 20 0 CCADLP CCOC(=O)[C@@H](CC(C)C)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246183167 807179354 /nfs/dbraw/zinc/17/93/54/807179354.db2.gz FIFGZQKQNWBUBZ-CHWSQXEVSA-N 2 2 283.416 0.648 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@@H](NCC[C@H]2CCCC[NH2+]2)C[NH2+]1 ZINC001246242610 807196383 /nfs/dbraw/zinc/19/63/83/807196383.db2.gz FXPFZKIJAHUGOB-UMVBOHGHSA-N 2 2 283.416 0.792 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H](NCC[C@H]2CCCC[NH2+]2)C[NH2+]1 ZINC001246242611 807196724 /nfs/dbraw/zinc/19/67/24/807196724.db2.gz FXPFZKIJAHUGOB-VNHYZAJKSA-N 2 2 283.416 0.792 20 0 CCADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCOCC3)nn2)CC[NH2+]1 ZINC001246262597 807201800 /nfs/dbraw/zinc/20/18/00/807201800.db2.gz IQTQRWRBRDYKPA-QWHCGFSZSA-N 2 2 291.399 0.543 20 0 CCADLP CCOC(=O)[C@@H](CC1CCC1)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246285196 807206736 /nfs/dbraw/zinc/20/67/36/807206736.db2.gz FTQDIVOPDVJJBH-UONOGXRCSA-N 2 2 295.427 0.792 20 0 CCADLP CCC[C@H]([NH2+][C@H]1CCC[NH2+]C1)[C@H](O)C(=O)NC1CC1 ZINC001246290561 807210573 /nfs/dbraw/zinc/21/05/73/807210573.db2.gz CPBHEAGFRLCYNC-AVGNSLFASA-N 2 2 269.389 0.136 20 0 CCADLP CC[C@@]1(C(=O)OC)C[C@H](NC[C@@H]2CCCC[NH2+]2)C[NH2+]1 ZINC001246291390 807210894 /nfs/dbraw/zinc/21/08/94/807210894.db2.gz UGJRHONWJVKKIS-OBJOEFQTSA-N 2 2 269.389 0.402 20 0 CCADLP O=C1CC[NH2+]C[C@H]1N[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001246296547 807211583 /nfs/dbraw/zinc/21/15/83/807211583.db2.gz XOHZYLYLNADIRL-GXTWGEPZSA-N 2 2 265.401 0.914 20 0 CCADLP O=C1CC[NH2+]C[C@H]1N[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001246296547 807211591 /nfs/dbraw/zinc/21/15/91/807211591.db2.gz XOHZYLYLNADIRL-GXTWGEPZSA-N 2 2 265.401 0.914 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001246312805 807218720 /nfs/dbraw/zinc/21/87/20/807218720.db2.gz YWYXYAQLIJIUNM-NWANDNLSSA-N 2 2 264.344 0.853 20 0 CCADLP C[C@H]1CC[C@@H]([NH2+]CCOc2ccccc2C(N)=O)C[NH2+]1 ZINC001246323938 807221370 /nfs/dbraw/zinc/22/13/70/807221370.db2.gz GAKYAUSTNKAEAF-NWDGAFQWSA-N 2 2 277.368 0.894 20 0 CCADLP COC(=O)CC1([NH2+][C@H]2CC[C@H](C)[NH2+]C2)CCOCC1 ZINC001246330661 807223887 /nfs/dbraw/zinc/22/38/87/807223887.db2.gz XHAUSJADGGLSLK-RYUDHWBXSA-N 2 2 270.373 0.829 20 0 CCADLP C[C@H]1[NH2+]CCC[C@@H]1N[C@@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246334458 807225641 /nfs/dbraw/zinc/22/56/41/807225641.db2.gz ZITICUGRGWYORZ-VOAKCMCISA-N 2 2 283.416 0.789 20 0 CCADLP COC(=O)[C@H](CCC[NH3+])[NH2+][C@H](C)Cc1ccccn1 ZINC001246401450 807243486 /nfs/dbraw/zinc/24/34/86/807243486.db2.gz LJECZMCMTLYDGB-YPMHNXCESA-N 2 2 265.357 0.883 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+]C2(C)CCS(=O)(=O)CC2)C[NH2+]1 ZINC001246417701 807248582 /nfs/dbraw/zinc/24/85/82/807248582.db2.gz CFFWDHFNPAFEPJ-MNOVXSKESA-N 2 2 260.403 0.684 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@](C)([NH3+])C2)C[C@H]1C(=O)OC ZINC001246526917 807273130 /nfs/dbraw/zinc/27/31/30/807273130.db2.gz COMFTEWSTVYBNE-YFCNSXCBSA-N 2 2 298.383 0.540 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@](C)([NH3+])C2)C[C@H]1C(=O)OC ZINC001246526917 807273132 /nfs/dbraw/zinc/27/31/32/807273132.db2.gz COMFTEWSTVYBNE-YFCNSXCBSA-N 2 2 298.383 0.540 20 0 CCADLP C[C@H]1CC[C@H]([NH+]2CCC3(CNC(=O)C3)CC2)C[NH2+]1 ZINC001246524452 807274033 /nfs/dbraw/zinc/27/40/33/807274033.db2.gz QXIMQPHKHRCULF-RYUDHWBXSA-N 2 2 251.374 0.729 20 0 CCADLP [NH3+][C@@H]1C[N@@H+]([C@@H]2CCO[C@@H](c3ccccc3)C2)C[C@H]1O ZINC001246556010 807286984 /nfs/dbraw/zinc/28/69/84/807286984.db2.gz HAYKOGAJGASQED-KBUPBQIOSA-N 2 2 262.353 0.911 20 0 CCADLP [NH3+][C@@H]1C[N@H+]([C@@H]2CCO[C@@H](c3ccccc3)C2)C[C@H]1O ZINC001246556010 807286989 /nfs/dbraw/zinc/28/69/89/807286989.db2.gz HAYKOGAJGASQED-KBUPBQIOSA-N 2 2 262.353 0.911 20 0 CCADLP CC(C)(C)[C@H]1C[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CC[NH2+]1 ZINC001246563142 807290904 /nfs/dbraw/zinc/29/09/04/807290904.db2.gz CGFMNCQDXFXEDK-FDYHWXHSSA-N 3 2 255.406 0.547 20 0 CCADLP CC(C)(C)[C@H]1C[C@H]([N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CC[NH2+]1 ZINC001246563142 807290908 /nfs/dbraw/zinc/29/09/08/807290908.db2.gz CGFMNCQDXFXEDK-FDYHWXHSSA-N 3 2 255.406 0.547 20 0 CCADLP CCOC(=O)[C@@H]1C[C@@H]([N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)CCN1 ZINC001246571519 807297101 /nfs/dbraw/zinc/29/71/01/807297101.db2.gz UZWOYULDFFFICZ-VOAKCMCISA-N 2 2 269.389 0.339 20 0 CCADLP CCOC(=O)[C@@H]1C[C@@H]([N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)CCN1 ZINC001246571519 807297107 /nfs/dbraw/zinc/29/71/07/807297107.db2.gz UZWOYULDFFFICZ-VOAKCMCISA-N 2 2 269.389 0.339 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](C2CC[NH+](CC3CC3)CC2)C[C@H]1O ZINC001246581131 807303676 /nfs/dbraw/zinc/30/36/76/807303676.db2.gz PSVVEJVBKPUFEJ-GXTWGEPZSA-N 3 2 253.390 0.112 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](C2CC[NH+](CC3CC3)CC2)C[C@H]1O ZINC001246581131 807303682 /nfs/dbraw/zinc/30/36/82/807303682.db2.gz PSVVEJVBKPUFEJ-GXTWGEPZSA-N 3 2 253.390 0.112 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CCN1 ZINC001246589686 807311342 /nfs/dbraw/zinc/31/13/42/807311342.db2.gz TVIZPQRUNYEZRW-KXNHARMFSA-N 2 2 273.352 0.041 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CCN1 ZINC001246589686 807311351 /nfs/dbraw/zinc/31/13/51/807311351.db2.gz TVIZPQRUNYEZRW-KXNHARMFSA-N 2 2 273.352 0.041 20 0 CCADLP CCOC(=O)C1=C(O)CC[N@@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246597203 807314688 /nfs/dbraw/zinc/31/46/88/807314688.db2.gz SOPRXWMVVNGWMM-GRYCIOLGSA-N 2 2 268.357 0.581 20 0 CCADLP CCOC(=O)C1=C(O)CC[N@H+]([C@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246597203 807314697 /nfs/dbraw/zinc/31/46/97/807314697.db2.gz SOPRXWMVVNGWMM-GRYCIOLGSA-N 2 2 268.357 0.581 20 0 CCADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN[C@]3(CC[NH2+]C3)C1)C2 ZINC001246643841 807342409 /nfs/dbraw/zinc/34/24/09/807342409.db2.gz QCISGRMXZUCAOV-JJXSEGSLSA-N 3 2 278.444 0.639 20 0 CCADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN[C@]3(CC[NH2+]C3)C1)C2 ZINC001246643841 807342418 /nfs/dbraw/zinc/34/24/18/807342418.db2.gz QCISGRMXZUCAOV-JJXSEGSLSA-N 3 2 278.444 0.639 20 0 CCADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCN[C@]3(CC[NH2+]C3)C1)C2 ZINC001246643841 807342427 /nfs/dbraw/zinc/34/24/27/807342427.db2.gz QCISGRMXZUCAOV-JJXSEGSLSA-N 3 2 278.444 0.639 20 0 CCADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCN[C@]3(CC[NH2+]C3)C1)C2 ZINC001246643841 807342435 /nfs/dbraw/zinc/34/24/35/807342435.db2.gz QCISGRMXZUCAOV-JJXSEGSLSA-N 3 2 278.444 0.639 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246651670 807347400 /nfs/dbraw/zinc/34/74/00/807347400.db2.gz XSNFRNZHPCGOBY-GDBMZVCRSA-N 2 2 295.427 0.842 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246651670 807347409 /nfs/dbraw/zinc/34/74/09/807347409.db2.gz XSNFRNZHPCGOBY-GDBMZVCRSA-N 2 2 295.427 0.842 20 0 CCADLP CC(=O)N1CCO[C@@H]2CC[N@@H+]([C@@H]3CC[C@H](C)[NH2+]C3)CC[C@H]21 ZINC001246697484 807357824 /nfs/dbraw/zinc/35/78/24/807357824.db2.gz VFAKDQLPZPLNID-LCGIIJARSA-N 2 2 295.427 0.839 20 0 CCADLP CC(=O)N1CCO[C@@H]2CC[N@H+]([C@@H]3CC[C@H](C)[NH2+]C3)CC[C@H]21 ZINC001246697484 807357830 /nfs/dbraw/zinc/35/78/30/807357830.db2.gz VFAKDQLPZPLNID-LCGIIJARSA-N 2 2 295.427 0.839 20 0 CCADLP COC(=O)C1(N)CC[NH+]([C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246814413 807390279 /nfs/dbraw/zinc/39/02/79/807390279.db2.gz RSBUTRBQAQSGTD-MNOVXSKESA-N 2 2 255.362 0.093 20 0 CCADLP COC(=O)C1(N)CC[NH+]([C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246814614 807390313 /nfs/dbraw/zinc/39/03/13/807390313.db2.gz RSBUTRBQAQSGTD-QWRGUYRKSA-N 2 2 255.362 0.093 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246956520 807440596 /nfs/dbraw/zinc/44/05/96/807440596.db2.gz XSNYGAYMJRHROD-PEUVFPKISA-N 3 2 294.443 0.412 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246956520 807440599 /nfs/dbraw/zinc/44/05/99/807440599.db2.gz XSNYGAYMJRHROD-PEUVFPKISA-N 3 2 294.443 0.412 20 0 CCADLP [NH3+]C[C@H]([NH3+])Cc1nc(-c2cc(F)cc(F)c2)no1 ZINC001249130197 807544385 /nfs/dbraw/zinc/54/43/85/807544385.db2.gz XKJWIHITQIWOIJ-SECBINFHSA-N 2 2 254.240 0.843 20 0 CCADLP COc1nccc(-c2noc(C[C@@H]([NH3+])C[NH3+])n2)c1F ZINC001249129562 807544458 /nfs/dbraw/zinc/54/44/58/807544458.db2.gz WRCLUAJFYJXMDZ-ZCFIWIBFSA-N 2 2 267.264 0.108 20 0 CCADLP CC(C)n1c[nH+]cc1CNC(=S)NCC[NH+](C)C ZINC001249851151 807578675 /nfs/dbraw/zinc/57/86/75/807578675.db2.gz UTLBXZBXMQQXCE-UHFFFAOYSA-N 2 2 269.418 0.990 20 0 CCADLP C[C@]1(C[NH2+]CCO)CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001278588607 807605943 /nfs/dbraw/zinc/60/59/43/807605943.db2.gz DXCUYOPFANDYOR-OAHLLOKOSA-N 2 2 294.399 0.484 20 0 CCADLP COCC[NH+]1CCC([NH2+]C[C@H](O)C(F)(F)F)CC1 ZINC001250992741 807631072 /nfs/dbraw/zinc/63/10/72/807631072.db2.gz IMPKERXPIAFHTC-JTQLQIEISA-N 2 2 270.295 0.610 20 0 CCADLP OC[C@@H](O)C[N@@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001252059475 807783322 /nfs/dbraw/zinc/78/33/22/807783322.db2.gz XQMMIZSHUGQGFT-PMPSAXMXSA-N 2 2 291.395 0.189 20 0 CCADLP OC[C@@H](O)C[N@H+]1C[C@H]2CC[NH+](Cc3ccncc3)C[C@H]2C1 ZINC001252059475 807783329 /nfs/dbraw/zinc/78/33/29/807783329.db2.gz XQMMIZSHUGQGFT-PMPSAXMXSA-N 2 2 291.395 0.189 20 0 CCADLP OC[C@@H](O)C[NH+]1C[C@H]2CC[N@H+](Cc3ccncc3)C[C@H]2C1 ZINC001252059475 807783333 /nfs/dbraw/zinc/78/33/33/807783333.db2.gz XQMMIZSHUGQGFT-PMPSAXMXSA-N 2 2 291.395 0.189 20 0 CCADLP OC[C@@H](O)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccncc3)C[C@H]2C1 ZINC001252059475 807783340 /nfs/dbraw/zinc/78/33/40/807783340.db2.gz XQMMIZSHUGQGFT-PMPSAXMXSA-N 2 2 291.395 0.189 20 0 CCADLP COc1ccccc1C[NH+]1CCC([NH2+]C[C@H](O)CO)CC1 ZINC001252068942 807790172 /nfs/dbraw/zinc/79/01/72/807790172.db2.gz XHXUDQUBUSNCDV-HNNXBMFYSA-N 2 2 294.395 0.602 20 0 CCADLP CCCC[C@H](O)C[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001252090949 807794580 /nfs/dbraw/zinc/79/45/80/807794580.db2.gz OEQDTFLFEZNBGB-INIZCTEOSA-N 2 2 299.459 0.487 20 0 CCADLP COC(=O)[C@@H](O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001252428513 807843027 /nfs/dbraw/zinc/84/30/27/807843027.db2.gz RBVNAFIYAMBROD-NEPJUHHUSA-N 2 2 266.297 0.069 20 0 CCADLP COC(=O)[C@@H](O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001252428513 807843035 /nfs/dbraw/zinc/84/30/35/807843035.db2.gz RBVNAFIYAMBROD-NEPJUHHUSA-N 2 2 266.297 0.069 20 0 CCADLP COC[C@@H](O)C[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001252815030 807964654 /nfs/dbraw/zinc/96/46/54/807964654.db2.gz LCGNJPPLHFYJEK-FMKPAKJESA-N 2 2 291.395 0.453 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1C[C@@H]2CCCC(=O)[C@@H]2C1 ZINC001253194731 808026747 /nfs/dbraw/zinc/02/67/47/808026747.db2.gz KCRZNDCCHALGDG-MELADBBJSA-N 2 2 268.401 0.990 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1C[C@@H]2CCCC(=O)[C@@H]2C1 ZINC001253194731 808026754 /nfs/dbraw/zinc/02/67/54/808026754.db2.gz KCRZNDCCHALGDG-MELADBBJSA-N 2 2 268.401 0.990 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])NC[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC001253375739 808050771 /nfs/dbraw/zinc/05/07/71/808050771.db2.gz VBCOUBQVMIWKAR-CYBMUJFWSA-N 2 2 298.337 0.770 20 0 CCADLP CC(C)[C@H](O)C[NH2+]CCC(=O)NCCc1c[nH]c[nH+]1 ZINC001253783586 808138202 /nfs/dbraw/zinc/13/82/02/808138202.db2.gz MTZWNZPGTHVPPK-GFCCVEGCSA-N 2 2 268.361 0.065 20 0 CCADLP CC(C)[C@H](O)C[NH2+]CCC(=O)NCCc1c[nH+]c[nH]1 ZINC001253783586 808138207 /nfs/dbraw/zinc/13/82/07/808138207.db2.gz MTZWNZPGTHVPPK-GFCCVEGCSA-N 2 2 268.361 0.065 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH2+]CCc1[nH]cc(C)[nH+]1 ZINC001253807200 808148659 /nfs/dbraw/zinc/14/86/59/808148659.db2.gz UWPOMQDJFBQDSP-JTQLQIEISA-N 2 2 255.318 0.164 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NCC1([NH+]2CCCC2)COC1 ZINC001142590418 815183034 /nfs/dbraw/zinc/18/30/34/815183034.db2.gz YCOLTUHLYFYRJI-UHFFFAOYSA-N 2 2 269.389 0.308 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NCC1([NH+]2CCCC2)COC1 ZINC001142590418 815183036 /nfs/dbraw/zinc/18/30/36/815183036.db2.gz YCOLTUHLYFYRJI-UHFFFAOYSA-N 2 2 269.389 0.308 20 0 CCADLP COC(=O)[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254848603 808286315 /nfs/dbraw/zinc/28/63/15/808286315.db2.gz RSFFUXNXUVJKPG-MJBXVCDLSA-N 2 2 282.384 0.638 20 0 CCADLP CN1CCO[C@H]2C[N@@H+]([C@@H]3CC4CC[NH+](CC4)C3)C[C@H]21 ZINC001254856258 808288729 /nfs/dbraw/zinc/28/87/29/808288729.db2.gz FDAGJRSFEJKMGW-KFWWJZLASA-N 2 2 265.401 0.486 20 0 CCADLP CN1CCO[C@H]2C[N@H+]([C@@H]3CC4CC[NH+](CC4)C3)C[C@H]21 ZINC001254856258 808288735 /nfs/dbraw/zinc/28/87/35/808288735.db2.gz FDAGJRSFEJKMGW-KFWWJZLASA-N 2 2 265.401 0.486 20 0 CCADLP C[N@@H+]1CCC[C@H](NC(=[NH2+])SCCSC(N)=[NH2+])C1 ZINC001255472663 808379356 /nfs/dbraw/zinc/37/93/56/808379356.db2.gz ZDVNKDBAYWWLFW-QMMMGPOBSA-N 3 2 275.447 0.965 20 0 CCADLP C[N@H+]1CCC[C@H](NC(=[NH2+])SCCSC(N)=[NH2+])C1 ZINC001255472663 808379367 /nfs/dbraw/zinc/37/93/67/808379367.db2.gz ZDVNKDBAYWWLFW-QMMMGPOBSA-N 3 2 275.447 0.965 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001255667704 808420316 /nfs/dbraw/zinc/42/03/16/808420316.db2.gz PPSUMAVJHLTITD-AGUYFDCRSA-N 3 2 279.432 0.773 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001255667704 808420318 /nfs/dbraw/zinc/42/03/18/808420318.db2.gz PPSUMAVJHLTITD-AGUYFDCRSA-N 3 2 279.432 0.773 20 0 CCADLP CC[NH+](CC)CC[C@@H](C)[NH2+]CCC[NH+](CCO)CCO ZINC001255944371 808439378 /nfs/dbraw/zinc/43/93/78/808439378.db2.gz VHSNRDXDMFSQBQ-OAHLLOKOSA-N 3 2 289.464 0.373 20 0 CCADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](CCC(=O)OC)C(N)=O ZINC001255951744 808441682 /nfs/dbraw/zinc/44/16/82/808441682.db2.gz AIFFDDCQFWLJSD-NEPJUHHUSA-N 2 2 287.404 0.504 20 0 CCADLP O=C(C[NH2+]C1CC[NH+](C2CC2)CC1)NC1CCC1 ZINC001256070979 808468037 /nfs/dbraw/zinc/46/80/37/808468037.db2.gz KCZJDWWCMBHYBO-UHFFFAOYSA-N 2 2 251.374 0.872 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](C2CC[NH+](C3CC3)CC2)CCCO1 ZINC001256081738 808469296 /nfs/dbraw/zinc/46/92/96/808469296.db2.gz LTEKBQOGXNBRQK-CQSZACIVSA-N 2 2 282.384 0.877 20 0 CCADLP COC(=O)[C@H]1C[N@H+](C2CC[NH+](C3CC3)CC2)CCCO1 ZINC001256081738 808469302 /nfs/dbraw/zinc/46/93/02/808469302.db2.gz LTEKBQOGXNBRQK-CQSZACIVSA-N 2 2 282.384 0.877 20 0 CCADLP C[C@H]1C[NH+](C2CN(C3CC[NH+](C)CC3)C2)C[C@H](C)O1 ZINC001256216156 808480915 /nfs/dbraw/zinc/48/09/15/808480915.db2.gz UPINLCXBAMRWTK-STQMWFEESA-N 2 2 267.417 0.874 20 0 CCADLP C[C@@H]1C[NH+](C2CN(C3CC[NH+](C)CC3)C2)C[C@@H](C)O1 ZINC001256216155 808482059 /nfs/dbraw/zinc/48/20/59/808482059.db2.gz UPINLCXBAMRWTK-CHWSQXEVSA-N 2 2 267.417 0.874 20 0 CCADLP C[C@@H](CC(=O)N1CCOCC1)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC001256321355 808493800 /nfs/dbraw/zinc/49/38/00/808493800.db2.gz JMEGQETUOMZYGJ-NWDGAFQWSA-N 2 2 255.362 0.047 20 0 CCADLP C[C@@H](CC(=O)N1CCOCC1)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC001256321355 808493802 /nfs/dbraw/zinc/49/38/02/808493802.db2.gz JMEGQETUOMZYGJ-NWDGAFQWSA-N 2 2 255.362 0.047 20 0 CCADLP C[C@@H](Cc1ccccn1)[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001256424876 808528515 /nfs/dbraw/zinc/52/85/15/808528515.db2.gz NHNXJNYMIFKCBI-AWEZNQCLSA-N 2 2 274.412 0.944 20 0 CCADLP [NH3+]CCC(=O)NCCc1c[nH+]cn1[C@@H]1CCCSC1 ZINC001257665055 808628071 /nfs/dbraw/zinc/62/80/71/808628071.db2.gz VJIBWSHVUSGXAM-GFCCVEGCSA-N 2 2 282.413 0.959 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C[NH2+]CCF ZINC001279103344 808691558 /nfs/dbraw/zinc/69/15/58/808691558.db2.gz PLCHGMCSLRTSPD-NEPJUHHUSA-N 2 2 282.363 0.996 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C[NH2+]CCF ZINC001279103344 808691560 /nfs/dbraw/zinc/69/15/60/808691560.db2.gz PLCHGMCSLRTSPD-NEPJUHHUSA-N 2 2 282.363 0.996 20 0 CCADLP Cn1cc([C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]2[NH3+])cn1 ZINC001261430755 808975871 /nfs/dbraw/zinc/97/58/71/808975871.db2.gz ZQNRMIRGRCNRLM-WCFLWFBJSA-N 2 2 250.346 0.183 20 0 CCADLP Cn1cc([C@@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2[NH3+])cn1 ZINC001261430755 808975875 /nfs/dbraw/zinc/97/58/75/808975875.db2.gz ZQNRMIRGRCNRLM-WCFLWFBJSA-N 2 2 250.346 0.183 20 0 CCADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001261782270 809087619 /nfs/dbraw/zinc/08/76/19/809087619.db2.gz BQBZKZDKSPUNAX-SDDRHHMPSA-N 2 2 260.341 0.123 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCC2(CNC(=O)C2)CC1 ZINC001262014018 809156167 /nfs/dbraw/zinc/15/61/67/809156167.db2.gz UPJUROSTKHSSJZ-UHFFFAOYSA-N 2 2 262.357 0.565 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC001262094737 809188669 /nfs/dbraw/zinc/18/86/69/809188669.db2.gz YRPWVMCEVJYGTA-UWVGGRQHSA-N 2 2 251.334 0.489 20 0 CCADLP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1cc(N)ccn1 ZINC001262201752 809240496 /nfs/dbraw/zinc/24/04/96/809240496.db2.gz DRCHZZTUABGSQI-BIMULSAOSA-N 2 2 250.346 0.506 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]C[C@@](C)(O)c1ccco1)C1CC1 ZINC001262568175 809346486 /nfs/dbraw/zinc/34/64/86/809346486.db2.gz NHPPQXQBJLECMB-TZMCWYRMSA-N 2 2 268.357 0.532 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@@](C)(O)c1ccco1)C1CC1 ZINC001262568175 809346491 /nfs/dbraw/zinc/34/64/91/809346491.db2.gz NHPPQXQBJLECMB-TZMCWYRMSA-N 2 2 268.357 0.532 20 0 CCADLP CN1CC[NH+](C[C@H](O)CNCC[N@@H+]2CCCC2(C)C)CC1 ZINC001262570553 809348185 /nfs/dbraw/zinc/34/81/85/809348185.db2.gz YPLAWKOTYMFQEG-OAHLLOKOSA-N 2 2 298.475 0.059 20 0 CCADLP CN1CC[NH+](C[C@H](O)CNCC[N@H+]2CCCC2(C)C)CC1 ZINC001262570553 809348192 /nfs/dbraw/zinc/34/81/92/809348192.db2.gz YPLAWKOTYMFQEG-OAHLLOKOSA-N 2 2 298.475 0.059 20 0 CCADLP [NH3+][C@H]1CCCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001262580238 809355047 /nfs/dbraw/zinc/35/50/47/809355047.db2.gz LNMODMGKVGGWHK-QWRGUYRKSA-N 2 2 263.345 0.331 20 0 CCADLP CC(C)[C@H]1CN(C(=O)C[C@@H]([NH3+])C(F)F)CC[N@@H+]1C ZINC001263174996 809471357 /nfs/dbraw/zinc/47/13/57/809471357.db2.gz PJDYKMPZSUUVTI-NXEZZACHSA-N 2 2 263.332 0.768 20 0 CCADLP CC(C)[C@H]1CN(C(=O)C[C@@H]([NH3+])C(F)F)CC[N@H+]1C ZINC001263174996 809471361 /nfs/dbraw/zinc/47/13/61/809471361.db2.gz PJDYKMPZSUUVTI-NXEZZACHSA-N 2 2 263.332 0.768 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H](C)C[NH2+]C ZINC001263199112 809479283 /nfs/dbraw/zinc/47/92/83/809479283.db2.gz WQETYTCWGRGSGI-RYUDHWBXSA-N 2 2 257.378 0.069 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC[N@H+](C)C1CC1 ZINC001263712957 809554956 /nfs/dbraw/zinc/55/49/56/809554956.db2.gz SYXLLLLDTBMTJC-UHFFFAOYSA-N 2 2 250.346 0.563 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC[N@@H+](C)C1CC1 ZINC001263712957 809554959 /nfs/dbraw/zinc/55/49/59/809554959.db2.gz SYXLLLLDTBMTJC-UHFFFAOYSA-N 2 2 250.346 0.563 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001076571307 815313197 /nfs/dbraw/zinc/31/31/97/815313197.db2.gz DFCAOUGWVQNIKM-QWHCGFSZSA-N 2 2 280.347 0.694 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC001076571307 815313203 /nfs/dbraw/zinc/31/32/03/815313203.db2.gz DFCAOUGWVQNIKM-QWHCGFSZSA-N 2 2 280.347 0.694 20 0 CCADLP CC(C)OCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001265447978 809781812 /nfs/dbraw/zinc/78/18/12/809781812.db2.gz FTAIAERLMMPLCA-LBPRGKRZSA-N 2 2 280.372 0.568 20 0 CCADLP CCOCC[NH2+][C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001265843858 809872869 /nfs/dbraw/zinc/87/28/69/809872869.db2.gz OETHLVPXDNTDPY-SNVBAGLBSA-N 2 2 254.334 0.083 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1CCF ZINC001267283477 811094378 /nfs/dbraw/zinc/09/43/78/811094378.db2.gz NDEODMGQUBPJKE-LBPRGKRZSA-N 2 2 259.369 0.877 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1CCF ZINC001267283477 811094383 /nfs/dbraw/zinc/09/43/83/811094383.db2.gz NDEODMGQUBPJKE-LBPRGKRZSA-N 2 2 259.369 0.877 20 0 CCADLP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]1CCF ZINC001267283477 811094395 /nfs/dbraw/zinc/09/43/95/811094395.db2.gz NDEODMGQUBPJKE-LBPRGKRZSA-N 2 2 259.369 0.877 20 0 CCADLP COCCC[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001267306636 811127514 /nfs/dbraw/zinc/12/75/14/811127514.db2.gz JCNNRYJHGGDIAW-CYBMUJFWSA-N 2 2 294.399 0.437 20 0 CCADLP COCCC[N@H+]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001267306636 811127518 /nfs/dbraw/zinc/12/75/18/811127518.db2.gz JCNNRYJHGGDIAW-CYBMUJFWSA-N 2 2 294.399 0.437 20 0 CCADLP Cc1[nH]c(CN2CCN(CC[NH+](C)C)CC2)c[nH+]1 ZINC000724780808 811162294 /nfs/dbraw/zinc/16/22/94/811162294.db2.gz MWGQWPRJFOBMEZ-UHFFFAOYSA-N 2 2 251.378 0.397 20 0 CCADLP Cc1nn(C)cc1C[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149134192 811238410 /nfs/dbraw/zinc/23/84/10/811238410.db2.gz GCXCSMKFIWXBDG-UHFFFAOYSA-N 2 2 290.371 0.209 20 0 CCADLP CN(CC[NH2+]CCCF)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001267393047 811283326 /nfs/dbraw/zinc/28/33/26/811283326.db2.gz QTKNVYSNHBZFOG-GFCCVEGCSA-N 2 2 282.363 0.853 20 0 CCADLP CN(CC[NH2+]CCF)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001267396660 811283785 /nfs/dbraw/zinc/28/37/85/811283785.db2.gz YQRSNSHOCSLJPQ-LLVKDONJSA-N 2 2 268.336 0.463 20 0 CCADLP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1nnc(C)[nH]1)[NH+](C)C ZINC001267429621 811299809 /nfs/dbraw/zinc/29/98/09/811299809.db2.gz BDLACWXGCJHQFV-NSHDSACASA-N 2 2 282.392 0.001 20 0 CCADLP CN(CC[NH2+]C[C@@H]1C[C@]12CCOC2)C(=O)Cc1c[nH+]c[nH]1 ZINC001267434700 811302726 /nfs/dbraw/zinc/30/27/26/811302726.db2.gz NKWZNMRNNVUVBO-WFASDCNBSA-N 2 2 292.383 0.427 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]Cc1ccc(F)cn1 ZINC001149134724 811463550 /nfs/dbraw/zinc/46/35/50/811463550.db2.gz LVEQOCXLLVYLHZ-UHFFFAOYSA-N 2 2 291.330 0.701 20 0 CCADLP Cc1nc(NC[C@H](C)N(C)C(=O)[C@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001104571318 811501957 /nfs/dbraw/zinc/50/19/57/811501957.db2.gz CRZQONSIXWFCKW-AAEUAGOBSA-N 2 2 291.399 0.996 20 0 CCADLP Cc1nc(NC[C@H](C)N(C)C(=O)[C@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001104571318 811501965 /nfs/dbraw/zinc/50/19/65/811501965.db2.gz CRZQONSIXWFCKW-AAEUAGOBSA-N 2 2 291.399 0.996 20 0 CCADLP NS(=O)(=O)c1ccc(NC(=[NH2+])SCC[NH3+])cc1F ZINC001167913567 811557638 /nfs/dbraw/zinc/55/76/38/811557638.db2.gz ZKSFFYGCTCKZFE-UHFFFAOYSA-N 2 2 292.361 0.512 20 0 CCADLP Cc1nccnc1C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001140935737 811563456 /nfs/dbraw/zinc/56/34/56/811563456.db2.gz ZVHHQYMSTQFBNZ-UHFFFAOYSA-N 2 2 263.389 0.464 20 0 CCADLP Cc1nc(-n2ccc(CC[NH3+])n2)cc(N2CCOCC2)[nH+]1 ZINC001167726316 811700501 /nfs/dbraw/zinc/70/05/01/811700501.db2.gz BNMGHZWGZLLXPZ-UHFFFAOYSA-N 2 2 288.355 0.309 20 0 CCADLP CC[C@H](C)C[C@H](C)NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220240450 811724922 /nfs/dbraw/zinc/72/49/22/811724922.db2.gz LFEVVZIFVMDTEM-FMSGJZPZSA-N 2 2 253.390 0.879 20 0 CCADLP CCS(=O)(=O)CC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397309498 811852043 /nfs/dbraw/zinc/85/20/43/811852043.db2.gz ODLKRMPIMGKTQI-SRVKXCTJSA-N 2 2 262.419 0.726 20 0 CCADLP CCS(=O)(=O)CC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397309498 811852035 /nfs/dbraw/zinc/85/20/35/811852035.db2.gz ODLKRMPIMGKTQI-SRVKXCTJSA-N 2 2 262.419 0.726 20 0 CCADLP CC(C)[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H](O)C1 ZINC001083583607 815502663 /nfs/dbraw/zinc/50/26/63/815502663.db2.gz LHWAIAGKNBJCHE-YUTCNCBUSA-N 2 2 292.383 0.015 20 0 CCADLP CC(C)[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H](O)C1 ZINC001083583607 815502665 /nfs/dbraw/zinc/50/26/65/815502665.db2.gz LHWAIAGKNBJCHE-YUTCNCBUSA-N 2 2 292.383 0.015 20 0 CCADLP CCOCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001268288757 812449031 /nfs/dbraw/zinc/44/90/31/812449031.db2.gz OMOQDUYAAQDPCL-GXTWGEPZSA-N 2 2 294.399 0.863 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]C[C@H]1CCOC1 ZINC001149130431 812588071 /nfs/dbraw/zinc/58/80/71/812588071.db2.gz OFVVOJSTAPQZAX-LLVKDONJSA-N 2 2 266.345 0.003 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1c1nc(-c2ccc(-n3ccnc3)cc2)no1 ZINC001211755660 812671161 /nfs/dbraw/zinc/67/11/61/812671161.db2.gz XYLUOLNSHPNWDI-STQMWFEESA-N 2 2 296.334 0.936 20 0 CCADLP Cc1nc(N(C)CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)cc[nH+]1 ZINC001105371079 812864498 /nfs/dbraw/zinc/86/44/98/812864498.db2.gz QPRFKUQWXCTTMI-ZDUSSCGKSA-N 2 2 291.399 0.774 20 0 CCADLP Cc1nc(N(C)CCN(C)C(=O)[C@@H]2CCC[N@H+]2C)cc[nH+]1 ZINC001105371079 812864508 /nfs/dbraw/zinc/86/45/08/812864508.db2.gz QPRFKUQWXCTTMI-ZDUSSCGKSA-N 2 2 291.399 0.774 20 0 CCADLP CCOCC[NH+]1CC(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001268896022 813137928 /nfs/dbraw/zinc/13/79/28/813137928.db2.gz HXHAEWGPEUVYAF-UHFFFAOYSA-N 2 2 280.372 0.047 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH2+]CCNC(=O)CCc2[nH]cc[nH+]2)O1 ZINC001126437009 813585801 /nfs/dbraw/zinc/58/58/01/813585801.db2.gz RGIRTUHCLKMJLM-NEPJUHHUSA-N 2 2 280.372 0.616 20 0 CCADLP CC1(C)CO[C@H](C[NH2+]CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001126448745 813641048 /nfs/dbraw/zinc/64/10/48/813641048.db2.gz XWAKQSPYFYOWKC-LBPRGKRZSA-N 2 2 294.399 0.863 20 0 CCADLP C[N@H+]1CC[C@H]2CN(C(=O)[C@H](CO)n3cc[nH+]c3)C[C@H]2CC1 ZINC001270398717 813748625 /nfs/dbraw/zinc/74/86/25/813748625.db2.gz DWXMTHDHGBMDPI-MJBXVCDLSA-N 2 2 292.383 0.217 20 0 CCADLP C[N@@H+]1CC[C@H]2CN(C(=O)[C@H](CO)n3cc[nH+]c3)C[C@H]2CC1 ZINC001270398717 813748630 /nfs/dbraw/zinc/74/86/30/813748630.db2.gz DWXMTHDHGBMDPI-MJBXVCDLSA-N 2 2 292.383 0.217 20 0 CCADLP C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)C1CN(c3cccc[nH+]3)C1)C2 ZINC001270464516 813773868 /nfs/dbraw/zinc/77/38/68/813773868.db2.gz HNAGVHPJXGCMLG-OCCSQVGLSA-N 2 2 286.379 0.680 20 0 CCADLP C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)C1CN(c3cccc[nH+]3)C1)C2 ZINC001270464516 813773876 /nfs/dbraw/zinc/77/38/76/813773876.db2.gz HNAGVHPJXGCMLG-OCCSQVGLSA-N 2 2 286.379 0.680 20 0 CCADLP C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)c1ccn2c[nH+]cc2c1 ZINC001270540192 813804187 /nfs/dbraw/zinc/80/41/87/813804187.db2.gz PNMLFNGIAPEDIS-OKILXGFUSA-N 2 2 286.335 0.489 20 0 CCADLP C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)c1ccn2c[nH+]cc2c1 ZINC001270540192 813804196 /nfs/dbraw/zinc/80/41/96/813804196.db2.gz PNMLFNGIAPEDIS-OKILXGFUSA-N 2 2 286.335 0.489 20 0 CCADLP C[C@]1(C[NH2+]CCF)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001270820250 813953251 /nfs/dbraw/zinc/95/32/51/813953251.db2.gz AGTHGQKTKQXUQQ-CYBMUJFWSA-N 2 2 268.336 0.750 20 0 CCADLP CC[N@H+](C)CC(=O)N1CC[C@H]2[C@@H]1CC[NH+]2COCCOC ZINC001271081049 814141881 /nfs/dbraw/zinc/14/18/81/814141881.db2.gz KMFCFHQXPVSFBR-KBPBESRZSA-N 2 2 299.415 0.234 20 0 CCADLP CC[N@@H+](C)CC(=O)N1CC[C@H]2[C@@H]1CC[NH+]2COCCOC ZINC001271081049 814141886 /nfs/dbraw/zinc/14/18/86/814141886.db2.gz KMFCFHQXPVSFBR-KBPBESRZSA-N 2 2 299.415 0.234 20 0 CCADLP CC[NH+](C)CC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2COCCOC ZINC001271081049 814141888 /nfs/dbraw/zinc/14/18/88/814141888.db2.gz KMFCFHQXPVSFBR-KBPBESRZSA-N 2 2 299.415 0.234 20 0 CCADLP CC[NH+](C)CC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2COCCOC ZINC001271081049 814141892 /nfs/dbraw/zinc/14/18/92/814141892.db2.gz KMFCFHQXPVSFBR-KBPBESRZSA-N 2 2 299.415 0.234 20 0 CCADLP CC[N@H+](C)CC(=O)N1CC[C@H]2[C@@H]1CC[NH+]2Cc1cn[nH]c1 ZINC001271081717 814143592 /nfs/dbraw/zinc/14/35/92/814143592.db2.gz SSYPVHSXRHWISF-KBPBESRZSA-N 2 2 291.399 0.537 20 0 CCADLP CC[N@@H+](C)CC(=O)N1CC[C@H]2[C@@H]1CC[NH+]2Cc1cn[nH]c1 ZINC001271081717 814143593 /nfs/dbraw/zinc/14/35/93/814143593.db2.gz SSYPVHSXRHWISF-KBPBESRZSA-N 2 2 291.399 0.537 20 0 CCADLP CC[NH+](C)CC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cn[nH]c1 ZINC001271081717 814143595 /nfs/dbraw/zinc/14/35/95/814143595.db2.gz SSYPVHSXRHWISF-KBPBESRZSA-N 2 2 291.399 0.537 20 0 CCADLP CC[NH+](C)CC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cn[nH]c1 ZINC001271081717 814143598 /nfs/dbraw/zinc/14/35/98/814143598.db2.gz SSYPVHSXRHWISF-KBPBESRZSA-N 2 2 291.399 0.537 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H](C)C[NH2+]CCCO ZINC001271137610 814197886 /nfs/dbraw/zinc/19/78/86/814197886.db2.gz QSNIIKVXCDMCEF-NEPJUHHUSA-N 2 2 282.388 0.407 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H](C)C[NH2+]CCCO ZINC001271137610 814197889 /nfs/dbraw/zinc/19/78/89/814197889.db2.gz QSNIIKVXCDMCEF-NEPJUHHUSA-N 2 2 282.388 0.407 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088120864 814416985 /nfs/dbraw/zinc/41/69/85/814416985.db2.gz BSULKYWTHVFEPK-XQQFMLRXSA-N 2 2 292.383 0.113 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001088120864 814416989 /nfs/dbraw/zinc/41/69/89/814416989.db2.gz BSULKYWTHVFEPK-XQQFMLRXSA-N 2 2 292.383 0.113 20 0 CCADLP Cc1nc(N[C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)cc[nH+]1 ZINC001059586385 814594130 /nfs/dbraw/zinc/59/41/30/814594130.db2.gz PSWVCVZCDSENQO-FRRDWIJNSA-N 2 2 289.383 0.938 20 0 CCADLP Cc1nc(N[C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)cc[nH+]1 ZINC001059586385 814594137 /nfs/dbraw/zinc/59/41/37/814594137.db2.gz PSWVCVZCDSENQO-FRRDWIJNSA-N 2 2 289.383 0.938 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1CCCCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001088404990 814675518 /nfs/dbraw/zinc/67/55/18/814675518.db2.gz LWIFEGBKSFKOFL-STQMWFEESA-N 2 2 294.399 0.694 20 0 CCADLP Cc1nc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc[nH+]1 ZINC001059647153 814678879 /nfs/dbraw/zinc/67/88/79/814678879.db2.gz LGZKLEHTCRHHNC-UPJWGTAASA-N 2 2 289.383 0.796 20 0 CCADLP Cc1nc(N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc[nH+]1 ZINC001059647153 814678884 /nfs/dbraw/zinc/67/88/84/814678884.db2.gz LGZKLEHTCRHHNC-UPJWGTAASA-N 2 2 289.383 0.796 20 0 CCADLP Cc1nc(N[C@H]2C[C@@H](NC(=O)C[NH+]3CCCC3)C2)cc[nH+]1 ZINC001059649335 814679869 /nfs/dbraw/zinc/67/98/69/814679869.db2.gz XJYVYSLIGVOINN-BETUJISGSA-N 2 2 289.383 0.940 20 0 CCADLP CC[N@H+]1CCN(CC[NH+]2CCOC[C@H]2C)C[C@H]1C ZINC001168208906 814908416 /nfs/dbraw/zinc/90/84/16/814908416.db2.gz XEVOKQKLWMOICF-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP CC[NH+]1CCN(CC[N@@H+]2CCOC[C@H]2C)C[C@H]1C ZINC001168208906 814908421 /nfs/dbraw/zinc/90/84/21/814908421.db2.gz XEVOKQKLWMOICF-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP CC[NH+]1CCN(CC[N@H+]2CCOC[C@H]2C)C[C@H]1C ZINC001168208906 814908424 /nfs/dbraw/zinc/90/84/24/814908424.db2.gz XEVOKQKLWMOICF-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1nncs1 ZINC001127077298 815638202 /nfs/dbraw/zinc/63/82/02/815638202.db2.gz CHJJAPIGYYUYET-NSHDSACASA-N 2 2 297.428 0.617 20 0 CCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1nncs1 ZINC001127077298 815638207 /nfs/dbraw/zinc/63/82/07/815638207.db2.gz CHJJAPIGYYUYET-NSHDSACASA-N 2 2 297.428 0.617 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1C[NH+](C[C@@H](C)OC)C1 ZINC001030400921 816014750 /nfs/dbraw/zinc/01/47/50/816014750.db2.gz IUQAYYQKYPOOMJ-TZMCWYRMSA-N 2 2 283.416 0.696 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC1C[NH+](C[C@@H](C)OC)C1 ZINC001030400921 816014757 /nfs/dbraw/zinc/01/47/57/816014757.db2.gz IUQAYYQKYPOOMJ-TZMCWYRMSA-N 2 2 283.416 0.696 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001030512245 816079118 /nfs/dbraw/zinc/07/91/18/816079118.db2.gz QDLQBYLTGDOCJV-CYBMUJFWSA-N 2 2 295.427 0.698 20 0 CCADLP CCCC[NH+]1CC(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001030683636 816215213 /nfs/dbraw/zinc/21/52/13/816215213.db2.gz RWNIHZWTADSHOL-UHFFFAOYSA-N 2 2 250.346 0.792 20 0 CCADLP O=C(Cn1c[nH+]c2c1CCCC2)NC1C[NH+](CC2CC2)C1 ZINC001030688057 816220871 /nfs/dbraw/zinc/22/08/71/816220871.db2.gz OKBOJMGMUHLEPM-UHFFFAOYSA-N 2 2 288.395 0.972 20 0 CCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+](CC3CCC3)C2)C1 ZINC001030839553 816333281 /nfs/dbraw/zinc/33/32/81/816333281.db2.gz MYOSHKWOBJMJAJ-OAHLLOKOSA-N 2 2 295.427 0.696 20 0 CCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NC2C[NH+](CC3CCC3)C2)C1 ZINC001030839553 816333289 /nfs/dbraw/zinc/33/32/89/816333289.db2.gz MYOSHKWOBJMJAJ-OAHLLOKOSA-N 2 2 295.427 0.696 20 0 CCADLP CC[NH+](CC)CCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC001272402129 816391762 /nfs/dbraw/zinc/39/17/62/816391762.db2.gz QTJNDASPITVGNF-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+](CC)CCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC001272402129 816391769 /nfs/dbraw/zinc/39/17/69/816391769.db2.gz QTJNDASPITVGNF-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001030891381 816400158 /nfs/dbraw/zinc/40/01/58/816400158.db2.gz AEIAHYWVQFJWHG-LLVKDONJSA-N 2 2 269.389 0.164 20 0 CCADLP C[NH+]1CCC(C(=O)NC2C[NH+](CCOC3CCC3)C2)CC1 ZINC001030891950 816400817 /nfs/dbraw/zinc/40/08/17/816400817.db2.gz WOUJCOHWKYJRKX-UHFFFAOYSA-N 2 2 295.427 0.698 20 0 CCADLP CC[N@@H+]1CCOC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2)C1 ZINC001272447551 816438241 /nfs/dbraw/zinc/43/82/41/816438241.db2.gz WXQRYSBKFGGASB-HNNXBMFYSA-N 2 2 292.383 0.491 20 0 CCADLP CC[N@H+]1CCOC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2)C1 ZINC001272447551 816438246 /nfs/dbraw/zinc/43/82/46/816438246.db2.gz WXQRYSBKFGGASB-HNNXBMFYSA-N 2 2 292.383 0.491 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001030956282 816499814 /nfs/dbraw/zinc/49/98/14/816499814.db2.gz XFSLLPKOQYNMCV-NWDGAFQWSA-N 2 2 269.389 0.306 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001030956282 816499818 /nfs/dbraw/zinc/49/98/18/816499818.db2.gz XFSLLPKOQYNMCV-NWDGAFQWSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NC2C[NH+](C[C@H]3CCCCO3)C2)C1 ZINC001030958173 816501432 /nfs/dbraw/zinc/50/14/32/816501432.db2.gz FCMFWWJOYJEGPT-DZGCQCFKSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)NC2C[NH+](C[C@H]3CCCCO3)C2)C1 ZINC001030958173 816501438 /nfs/dbraw/zinc/50/14/38/816501438.db2.gz FCMFWWJOYJEGPT-DZGCQCFKSA-N 2 2 295.427 0.698 20 0 CCADLP CC(C)[NH+]1CCC(C(=O)NC2C[NH+](C[C@@H](C)O)C2)CC1 ZINC001031188474 816766286 /nfs/dbraw/zinc/76/62/86/816766286.db2.gz OJTZADVDAXTFQH-GFCCVEGCSA-N 2 2 283.416 0.288 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)O1 ZINC001235394099 816869964 /nfs/dbraw/zinc/86/99/64/816869964.db2.gz BSKURSWGSPZSEB-SRVKXCTJSA-N 3 2 271.380 0.720 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)O1 ZINC001235394099 816869968 /nfs/dbraw/zinc/86/99/68/816869968.db2.gz BSKURSWGSPZSEB-SRVKXCTJSA-N 3 2 271.380 0.720 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH+]2CC(NC(=O)C[NH+]3CCCC3)C2)O1 ZINC001031389214 817023329 /nfs/dbraw/zinc/02/33/29/817023329.db2.gz HDZUSKDKYIVIMC-OCCSQVGLSA-N 2 2 281.400 0.450 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC1C[NH+](C[C@@H]2CCCOC2)C1 ZINC001031476263 817073112 /nfs/dbraw/zinc/07/31/12/817073112.db2.gz DUMAKHDBMQDIGD-LBPRGKRZSA-N 2 2 278.356 0.110 20 0 CCADLP CC1(C)C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+](CCO)C1 ZINC001089568650 817201175 /nfs/dbraw/zinc/20/11/75/817201175.db2.gz NDXDFFLVARSEKV-ZDUSSCGKSA-N 2 2 294.399 0.482 20 0 CCADLP CC1(C)C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+](CCO)C1 ZINC001089568650 817201180 /nfs/dbraw/zinc/20/11/80/817201180.db2.gz NDXDFFLVARSEKV-ZDUSSCGKSA-N 2 2 294.399 0.482 20 0 CCADLP O=C(NCC1C[NH+](CC2CC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001031745789 817311231 /nfs/dbraw/zinc/31/12/31/817311231.db2.gz UFDDRMSURQYPGF-CHWSQXEVSA-N 2 2 274.368 0.971 20 0 CCADLP O=C(NCC1C[NH+](CC2CC2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001031745789 817311239 /nfs/dbraw/zinc/31/12/39/817311239.db2.gz UFDDRMSURQYPGF-CHWSQXEVSA-N 2 2 274.368 0.971 20 0 CCADLP C[C@H](O)C[NH+]1CC(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001031968167 817505280 /nfs/dbraw/zinc/50/52/80/817505280.db2.gz PLFJPVNHXWSRDA-JQWIXIFHSA-N 2 2 292.383 0.258 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001124836003 817588163 /nfs/dbraw/zinc/58/81/63/817588163.db2.gz DOAAXSWKVHDINK-LLVKDONJSA-N 2 2 293.371 0.247 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001124836003 817588167 /nfs/dbraw/zinc/58/81/67/817588167.db2.gz DOAAXSWKVHDINK-LLVKDONJSA-N 2 2 293.371 0.247 20 0 CCADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)on1 ZINC001032181225 817678123 /nfs/dbraw/zinc/67/81/23/817678123.db2.gz CKPAWYCELDKNOC-ZDUSSCGKSA-N 2 2 292.383 0.483 20 0 CCADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)on1 ZINC001032181225 817678130 /nfs/dbraw/zinc/67/81/30/817678130.db2.gz CKPAWYCELDKNOC-ZDUSSCGKSA-N 2 2 292.383 0.483 20 0 CCADLP CC[NH2+][C@@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C12CCC2 ZINC001078782682 818052396 /nfs/dbraw/zinc/05/23/96/818052396.db2.gz DWGMQFFEVDSOFL-OLZOCXBDSA-N 2 2 276.384 1.000 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358120691 818161086 /nfs/dbraw/zinc/16/10/86/818161086.db2.gz QRXSGWFBILNPMB-NEPJUHHUSA-N 2 2 277.372 0.846 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358120691 818161094 /nfs/dbraw/zinc/16/10/94/818161094.db2.gz QRXSGWFBILNPMB-NEPJUHHUSA-N 2 2 277.372 0.846 20 0 CCADLP C[C@H](CC[NH2+]CCn1cccn1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001273043134 818519963 /nfs/dbraw/zinc/51/99/63/818519963.db2.gz BASSMIPGLWAGNF-GFCCVEGCSA-N 2 2 290.371 0.333 20 0 CCADLP Cc1nc(NC[C@@H](C)NC(=O)CC[NH+](C)C)cc[nH+]1 ZINC001108083494 818607388 /nfs/dbraw/zinc/60/73/88/818607388.db2.gz ISVDHEKQGQNXRF-SNVBAGLBSA-N 2 2 265.361 0.653 20 0 CCADLP CCC[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033457937 818782724 /nfs/dbraw/zinc/78/27/24/818782724.db2.gz MZIUEFNOPFGSKB-LBPRGKRZSA-N 2 2 250.346 0.895 20 0 CCADLP CCC[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033457937 818782730 /nfs/dbraw/zinc/78/27/30/818782730.db2.gz MZIUEFNOPFGSKB-LBPRGKRZSA-N 2 2 250.346 0.895 20 0 CCADLP CC[C@@H](C[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1)OC ZINC001033455165 818789724 /nfs/dbraw/zinc/78/97/24/818789724.db2.gz ILJZKXXIHMPJFS-KBPBESRZSA-N 2 2 294.399 0.910 20 0 CCADLP CC[C@@H](C[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1)OC ZINC001033455165 818789729 /nfs/dbraw/zinc/78/97/29/818789729.db2.gz ILJZKXXIHMPJFS-KBPBESRZSA-N 2 2 294.399 0.910 20 0 CCADLP CCC[N@@H+]1CCO[C@](C)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001108107716 818882191 /nfs/dbraw/zinc/88/21/91/818882191.db2.gz GHHUDMLLWBYNNE-OAHLLOKOSA-N 2 2 294.399 0.890 20 0 CCADLP CCC[N@H+]1CCO[C@](C)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001108107716 818882196 /nfs/dbraw/zinc/88/21/96/818882196.db2.gz GHHUDMLLWBYNNE-OAHLLOKOSA-N 2 2 294.399 0.890 20 0 CCADLP [NH3+]Cc1ncn(-c2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)n1 ZINC001168754089 819146016 /nfs/dbraw/zinc/14/60/16/819146016.db2.gz NJHPIXZKYOITQE-UHFFFAOYSA-N 3 2 269.312 0.061 20 0 CCADLP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)C2 ZINC000703550912 819290737 /nfs/dbraw/zinc/29/07/37/819290737.db2.gz YMGWGLSEZBSNHZ-LPEHRKFASA-N 2 2 252.280 0.841 20 0 CCADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)C2 ZINC000703550912 819290741 /nfs/dbraw/zinc/29/07/41/819290741.db2.gz YMGWGLSEZBSNHZ-LPEHRKFASA-N 2 2 252.280 0.841 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1[NH2+]CCF ZINC001036209516 819705721 /nfs/dbraw/zinc/70/57/21/819705721.db2.gz YHGGSPKFQGTVJD-ZYHUDNBSSA-N 2 2 268.336 0.748 20 0 CCADLP C[C@@H]1C[N@H+](CC2CC2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001081036965 820669544 /nfs/dbraw/zinc/66/95/44/820669544.db2.gz KJRZRFRRNZUOJW-DGCLKSJQSA-N 2 2 262.357 0.730 20 0 CCADLP C[C@@H]1C[N@@H+](CC2CC2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001081036965 820669550 /nfs/dbraw/zinc/66/95/50/820669550.db2.gz KJRZRFRRNZUOJW-DGCLKSJQSA-N 2 2 262.357 0.730 20 0 CCADLP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)Cn2cc[nH+]c2)on1 ZINC001273212648 821159966 /nfs/dbraw/zinc/15/99/66/821159966.db2.gz PMTUDAOCVKOBTI-LLVKDONJSA-N 2 2 291.355 0.864 20 0 CCADLP CC(C)=CC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083954126 821166397 /nfs/dbraw/zinc/16/63/97/821166397.db2.gz MBQRUFKBAXWJGT-KGLIPLIRSA-N 2 2 292.383 0.090 20 0 CCADLP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001083954126 821166403 /nfs/dbraw/zinc/16/64/03/821166403.db2.gz MBQRUFKBAXWJGT-KGLIPLIRSA-N 2 2 292.383 0.090 20 0 CCADLP CCC(CC)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084115513 821194670 /nfs/dbraw/zinc/19/46/70/821194670.db2.gz VPJRTEPAZPSVKL-KGLIPLIRSA-N 2 2 294.399 0.481 20 0 CCADLP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084115513 821194677 /nfs/dbraw/zinc/19/46/77/821194677.db2.gz VPJRTEPAZPSVKL-KGLIPLIRSA-N 2 2 294.399 0.481 20 0 CCADLP CN(C(=O)NCc1c[nH+]cn1C)C1CC[NH2+]CC1 ZINC001119484450 821339870 /nfs/dbraw/zinc/33/98/70/821339870.db2.gz YYJUCQNUUJZQBR-UHFFFAOYSA-N 2 2 251.334 0.314 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CCF)C1 ZINC001279180780 822112489 /nfs/dbraw/zinc/11/24/89/822112489.db2.gz CWXFWRNBZYYNPE-PWSUYJOCSA-N 2 2 282.363 0.914 20 0 CCADLP O=C(NC[C@H]1C[C@@H]([NH2+]CCO)C1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001086194609 822149906 /nfs/dbraw/zinc/14/99/06/822149906.db2.gz HBBYKADPQGTPMU-TUAOUCFPSA-N 2 2 292.383 0.306 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCF)C1 ZINC001086482520 822273435 /nfs/dbraw/zinc/27/34/35/822273435.db2.gz JPOBJHZAUAHKSS-FDYHWXHSSA-N 2 2 294.374 0.978 20 0 CCADLP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@H]1CC[C@@H](C(=O)OC)C1 ZINC001170509489 837880147 /nfs/dbraw/zinc/88/01/47/837880147.db2.gz MMQINBACSGMNAE-OUAUKWLOSA-N 2 2 272.345 0.198 20 0 CCADLP CO[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH]cc[nH+]1 ZINC001114207680 837473445 /nfs/dbraw/zinc/47/34/45/837473445.db2.gz YLKNKKMEMDPQRK-FJJYHAOUSA-N 2 2 292.383 0.424 20 0 CCADLP CO[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH]cc[nH+]1 ZINC001114207680 837473450 /nfs/dbraw/zinc/47/34/50/837473450.db2.gz YLKNKKMEMDPQRK-FJJYHAOUSA-N 2 2 292.383 0.424 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)C[N@H+](C)C1CCC1)c1csnn1 ZINC001129532236 837523596 /nfs/dbraw/zinc/52/35/96/837523596.db2.gz WHXKQEMPXNSCAS-SNVBAGLBSA-N 2 2 297.428 0.789 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)C[N@@H+](C)C1CCC1)c1csnn1 ZINC001129532236 837523605 /nfs/dbraw/zinc/52/36/05/837523605.db2.gz WHXKQEMPXNSCAS-SNVBAGLBSA-N 2 2 297.428 0.789 20 0 CCADLP COc1nc(C)cc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001157915624 837690193 /nfs/dbraw/zinc/69/01/93/837690193.db2.gz UFWYLBFBLSWWSZ-UHFFFAOYSA-N 2 2 264.333 0.388 20 0 CCADLP COC[C@H](C)[NH2+]CCNC(=O)Cc1c[nH+]ccc1OC ZINC001130176260 837711781 /nfs/dbraw/zinc/71/17/81/837711781.db2.gz HXVVQNCJAMKICM-NSHDSACASA-N 2 2 281.356 0.373 20 0 CCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC(OC2CCC2)CC1 ZINC001157960699 837796473 /nfs/dbraw/zinc/79/64/73/837796473.db2.gz NVQWKOUDFBTSSY-TUKIKUTGSA-N 2 2 293.411 0.496 20 0 CCADLP O=C(NCC[NH2+]CCC1CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130478349 837800966 /nfs/dbraw/zinc/80/09/66/837800966.db2.gz YPRJNJPUPSADSA-CYBMUJFWSA-N 2 2 276.384 0.951 20 0 CCADLP CO[C@@H](C)C[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130481557 837804267 /nfs/dbraw/zinc/80/42/67/837804267.db2.gz WFRZIZOWXOZVID-NWDGAFQWSA-N 2 2 280.372 0.186 20 0 CCADLP CCOCCC[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130484030 837809523 /nfs/dbraw/zinc/80/95/23/837809523.db2.gz CKVHPFMTADQFEL-ZDUSSCGKSA-N 2 2 294.399 0.578 20 0 CCADLP O=C(NCC[NH2+]CCC1CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130487544 837810937 /nfs/dbraw/zinc/81/09/37/837810937.db2.gz HNAIDVWDILJRED-CYBMUJFWSA-N 2 2 276.384 0.951 20 0 CCADLP Cn1cc[nH+]c1CCNC(=O)[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001183379581 844017940 /nfs/dbraw/zinc/01/79/40/844017940.db2.gz NLPWPPZEYMKQLD-PHIMTYICSA-N 2 2 250.346 0.419 20 0 CCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001183765246 844085397 /nfs/dbraw/zinc/08/53/97/844085397.db2.gz RBTRTSFGPLJONX-QWHCGFSZSA-N 2 2 292.383 0.018 20 0 CCADLP Nc1ccc(CCC(=O)N(c2ncccn2)C2C[NH2+]C2)c[nH+]1 ZINC001183935508 844115247 /nfs/dbraw/zinc/11/52/47/844115247.db2.gz FSFDPOVOQDUKJG-UHFFFAOYSA-N 2 2 298.350 0.391 20 0 CCADLP Cc1nc(CC[NH3+])nn1-c1ccc(-n2c[nH+]c(C)c2C)nn1 ZINC001168986032 836089889 /nfs/dbraw/zinc/08/98/89/836089889.db2.gz LCHIUGGQZMFCNJ-UHFFFAOYSA-N 2 2 298.354 0.669 20 0 CCADLP COc1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1C ZINC001169076760 836116682 /nfs/dbraw/zinc/11/66/82/836116682.db2.gz XJZWYOUZRXMRHD-SNVBAGLBSA-N 2 2 262.313 0.446 20 0 CCADLP CSc1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc(C)n1 ZINC001169067680 836124122 /nfs/dbraw/zinc/12/41/22/836124122.db2.gz VRNPKCOCYCFEIH-SECBINFHSA-N 2 2 279.369 0.555 20 0 CCADLP Cc1cc2cc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)ncc2[nH]1 ZINC001169071903 836124975 /nfs/dbraw/zinc/12/49/75/836124975.db2.gz OXFWJLBKXQADKU-LLVKDONJSA-N 2 2 271.324 0.919 20 0 CCADLP Cn1ccc2ccnc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)c21 ZINC001169072657 836125007 /nfs/dbraw/zinc/12/50/07/836125007.db2.gz RCFLBWREEOOOMM-LLVKDONJSA-N 2 2 271.324 0.621 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2nnccc2c1 ZINC001169073355 836127442 /nfs/dbraw/zinc/12/74/42/836127442.db2.gz FMDNJOQVHOWQGP-LLVKDONJSA-N 2 2 269.308 0.678 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cccc2c1NC(=O)NC2 ZINC001169074231 836127547 /nfs/dbraw/zinc/12/75/47/836127547.db2.gz HACXOVIWKLWSCZ-SNVBAGLBSA-N 2 2 287.323 0.370 20 0 CCADLP COC(=O)c1nccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1C ZINC001169074221 836127608 /nfs/dbraw/zinc/12/76/08/836127608.db2.gz GTUMXOFWBFSUBG-SNVBAGLBSA-N 2 2 290.323 0.224 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2c(c1)CCO2 ZINC001169074603 836128179 /nfs/dbraw/zinc/12/81/79/836128179.db2.gz UCGCOMFBEMFPGB-LLVKDONJSA-N 2 2 259.309 0.669 20 0 CCADLP Cc1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cc1-c1nn[nH]n1 ZINC001169075005 836129189 /nfs/dbraw/zinc/12/91/89/836129189.db2.gz DXRYDJQPYHZALG-SNVBAGLBSA-N 2 2 299.338 0.223 20 0 CCADLP CC(C)Oc1cccnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169076383 836131087 /nfs/dbraw/zinc/13/10/87/836131087.db2.gz RCILINHRQKOUJA-LLVKDONJSA-N 2 2 276.340 0.917 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCC[C@@H]1C(N)=O)C2 ZINC001169140178 836151346 /nfs/dbraw/zinc/15/13/46/836151346.db2.gz IJHQXIHXUGOESY-MROQNXINSA-N 2 2 251.374 0.951 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCC[C@@H]1C(N)=O)C2 ZINC001169140178 836151349 /nfs/dbraw/zinc/15/13/49/836151349.db2.gz IJHQXIHXUGOESY-MROQNXINSA-N 2 2 251.374 0.951 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCC[C@@H]1C(N)=O)C2 ZINC001169140178 836151350 /nfs/dbraw/zinc/15/13/50/836151350.db2.gz IJHQXIHXUGOESY-MROQNXINSA-N 2 2 251.374 0.951 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCC[C@@H]1C(N)=O)C2 ZINC001169140178 836151352 /nfs/dbraw/zinc/15/13/52/836151352.db2.gz IJHQXIHXUGOESY-MROQNXINSA-N 2 2 251.374 0.951 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]Cc1cncc(F)c1 ZINC001169205297 836168098 /nfs/dbraw/zinc/16/80/98/836168098.db2.gz XOPPPZAKVGKOPV-UHFFFAOYSA-N 2 2 291.330 0.782 20 0 CCADLP CC[NH+]1CCC([NH2+][C@@H](CCSC)C(N)=O)CC1 ZINC001169239252 836171355 /nfs/dbraw/zinc/17/13/55/836171355.db2.gz UWVIUUOVFZAXJV-NSHDSACASA-N 2 2 259.419 0.667 20 0 CCADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)N[C@H](C(N)=O)C(C)C)CC1 ZINC001169244722 836173099 /nfs/dbraw/zinc/17/30/99/836173099.db2.gz SJLFZJKSKGJVEU-AAEUAGOBSA-N 2 2 298.431 0.075 20 0 CCADLP CCN(CC)C(=O)C[C@H](C)[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001169457228 836292974 /nfs/dbraw/zinc/29/29/74/836292974.db2.gz PPFAPHTVGTYBNK-ZDUSSCGKSA-N 2 2 285.432 0.680 20 0 CCADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)CCCC[NH+](C)C ZINC001184058834 844148440 /nfs/dbraw/zinc/14/84/40/844148440.db2.gz LSDFUOVYDDTZKW-GFCCVEGCSA-N 2 2 285.388 0.034 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)CCCC[NH+](C)C ZINC001184058834 844148444 /nfs/dbraw/zinc/14/84/44/844148444.db2.gz LSDFUOVYDDTZKW-GFCCVEGCSA-N 2 2 285.388 0.034 20 0 CCADLP CC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCOCC3)C2)C1 ZINC001169512427 836317003 /nfs/dbraw/zinc/31/70/03/836317003.db2.gz GBZDXIMFOQHAHF-KBPBESRZSA-N 2 2 281.400 0.450 20 0 CCADLP CC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CCOCC3)C2)C1 ZINC001169512427 836317013 /nfs/dbraw/zinc/31/70/13/836317013.db2.gz GBZDXIMFOQHAHF-KBPBESRZSA-N 2 2 281.400 0.450 20 0 CCADLP CCOC(=O)N1CCC[C@H]([NH2+][C@@H]2COC[C@H]2[NH3+])CC1 ZINC001169653148 836406721 /nfs/dbraw/zinc/40/67/21/836406721.db2.gz UYXJXLSUNMUJIR-QJPTWQEYSA-N 2 2 271.361 0.313 20 0 CCADLP C[NH+](C)Cc1ccc(NC[C@H]2COCC[N@@H+]2C)nc1 ZINC001169651874 836407080 /nfs/dbraw/zinc/40/70/80/836407080.db2.gz ARZDAARLSLRGST-ZDUSSCGKSA-N 2 2 264.373 0.886 20 0 CCADLP C[NH+](C)Cc1ccc(NC[C@H]2COCC[N@H+]2C)nc1 ZINC001169651874 836407087 /nfs/dbraw/zinc/40/70/87/836407087.db2.gz ARZDAARLSLRGST-ZDUSSCGKSA-N 2 2 264.373 0.886 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNc1ccc2c(c1)COC21C[NH2+]C1 ZINC001169660817 836413437 /nfs/dbraw/zinc/41/34/37/836413437.db2.gz QSYYRVJUZXCULI-AWEZNQCLSA-N 2 2 289.379 0.758 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNc1ccc2c(c1)COC21C[NH2+]C1 ZINC001169660817 836413445 /nfs/dbraw/zinc/41/34/45/836413445.db2.gz QSYYRVJUZXCULI-AWEZNQCLSA-N 2 2 289.379 0.758 20 0 CCADLP C[NH2+][C@H]1CCN1c1cccc(N2CC[NH+](C)CC2)n1 ZINC001156661249 836663890 /nfs/dbraw/zinc/66/38/90/836663890.db2.gz YDSBEOSGQUNATR-GFCCVEGCSA-N 2 2 261.373 0.589 20 0 CCADLP c1cn(Cc2ccc(NC[C@H]3COCC[NH2+]3)nc2)c[nH+]1 ZINC001170043901 836778876 /nfs/dbraw/zinc/77/88/76/836778876.db2.gz YFESZMHFGQWNGL-ZDUSSCGKSA-N 2 2 273.340 0.727 20 0 CCADLP O=C(NCCC[NH2+]CCF)c1cc(-n2cc[nH+]c2)ccn1 ZINC001170060787 836823133 /nfs/dbraw/zinc/82/31/33/836823133.db2.gz RMXBGEUQHDVAEO-UHFFFAOYSA-N 2 2 291.330 0.946 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001113346314 837097084 /nfs/dbraw/zinc/09/70/84/837097084.db2.gz VJAJREMCISLMCR-AWEZNQCLSA-N 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839665564 /nfs/dbraw/zinc/66/55/64/839665564.db2.gz FWVSAIYVVKQQRR-STQMWFEESA-N 2 2 280.372 0.160 20 0 CCADLP CC(C)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001090599439 839665598 /nfs/dbraw/zinc/66/55/98/839665598.db2.gz FWVSAIYVVKQQRR-QWHCGFSZSA-N 2 2 280.372 0.160 20 0 CCADLP CC(C)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001090599439 839665603 /nfs/dbraw/zinc/66/56/03/839665603.db2.gz FWVSAIYVVKQQRR-QWHCGFSZSA-N 2 2 280.372 0.160 20 0 CCADLP CCCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001090600496 839667689 /nfs/dbraw/zinc/66/76/89/839667689.db2.gz LFRYPEYWHQRUJS-STQMWFEESA-N 2 2 280.372 0.304 20 0 CCADLP CCCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001090600496 839667693 /nfs/dbraw/zinc/66/76/93/839667693.db2.gz LFRYPEYWHQRUJS-STQMWFEESA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H](F)CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001185918150 844473929 /nfs/dbraw/zinc/47/39/29/844473929.db2.gz IUCDRROMDZYQEI-WDEREUQCSA-N 2 2 268.336 0.891 20 0 CCADLP C1C[N@@H+](C2CC[NH2+]CC2)C[C@H]1N[C@H]1CCC[NH2+]C1 ZINC001246371315 839824548 /nfs/dbraw/zinc/82/45/48/839824548.db2.gz JFFDJGFCAZEJEO-STQMWFEESA-N 3 2 252.406 0.154 20 0 CCADLP C1C[N@H+](C2CC[NH2+]CC2)C[C@H]1N[C@H]1CCC[NH2+]C1 ZINC001246371315 839824552 /nfs/dbraw/zinc/82/45/52/839824552.db2.gz JFFDJGFCAZEJEO-STQMWFEESA-N 3 2 252.406 0.154 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CCN1 ZINC001246589730 840133630 /nfs/dbraw/zinc/13/36/30/840133630.db2.gz UBTTTXUDFLVZKE-NDBYEHHHSA-N 2 2 287.379 0.431 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CCN1 ZINC001246589730 840133637 /nfs/dbraw/zinc/13/36/37/840133637.db2.gz UBTTTXUDFLVZKE-NDBYEHHHSA-N 2 2 287.379 0.431 20 0 CCADLP COC[C@H](C)[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171244909 840188154 /nfs/dbraw/zinc/18/81/54/840188154.db2.gz VPKIJFVTFOIRJW-NSHDSACASA-N 2 2 268.361 0.093 20 0 CCADLP C[N@@H+]1CCC[C@H]([NH+]2CCN[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246645561 840226593 /nfs/dbraw/zinc/22/65/93/840226593.db2.gz UZPOJPVDSBPZDF-KBPBESRZSA-N 3 2 252.406 0.108 20 0 CCADLP C[N@H+]1CCC[C@H]([NH+]2CCN[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246645561 840226607 /nfs/dbraw/zinc/22/66/07/840226607.db2.gz UZPOJPVDSBPZDF-KBPBESRZSA-N 3 2 252.406 0.108 20 0 CCADLP C[NH+]1CCC[C@H]([N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246645561 840226622 /nfs/dbraw/zinc/22/66/22/840226622.db2.gz UZPOJPVDSBPZDF-KBPBESRZSA-N 3 2 252.406 0.108 20 0 CCADLP C[NH+]1CCC[C@H]([N@H+]2CCN[C@]3(CC[NH2+]C3)C2)CC1 ZINC001246645561 840226629 /nfs/dbraw/zinc/22/66/29/840226629.db2.gz UZPOJPVDSBPZDF-KBPBESRZSA-N 3 2 252.406 0.108 20 0 CCADLP C[C@H](C[C@H](C)NC(=O)Cn1cc[nH+]c1)[NH2+]CCCO ZINC001146770191 840359614 /nfs/dbraw/zinc/35/96/14/840359614.db2.gz HNIIHXOPIXYKMS-NEPJUHHUSA-N 2 2 268.361 0.138 20 0 CCADLP CCOC(=O)C1(N)CC[NH+]([C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246870146 840365670 /nfs/dbraw/zinc/36/56/70/840365670.db2.gz UTHJRMTZRSDYMQ-NWDGAFQWSA-N 2 2 269.389 0.483 20 0 CCADLP CC[NH+]1CCC(C(=O)NCCc2cn(C)c[nH+]2)CC1 ZINC001146785839 840365737 /nfs/dbraw/zinc/36/57/37/840365737.db2.gz AENWLMFSJDFSKV-UHFFFAOYSA-N 2 2 264.373 0.811 20 0 CCADLP COCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146753845 840368757 /nfs/dbraw/zinc/36/87/57/840368757.db2.gz BLZPJUVLBOTOEM-NWDGAFQWSA-N 2 2 268.361 0.402 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001186457888 844554526 /nfs/dbraw/zinc/55/45/26/844554526.db2.gz DYEVDOSBXFAPMY-LLVKDONJSA-N 2 2 297.428 0.570 20 0 CCADLP CC[C@H](F)C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147871831 840709354 /nfs/dbraw/zinc/70/93/54/840709354.db2.gz OBMFYHACFNDZOJ-JTQLQIEISA-N 2 2 256.325 0.417 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CC1CC(F)(F)C1 ZINC001147871917 840707860 /nfs/dbraw/zinc/70/78/60/840707860.db2.gz RUCORSHEKPWHOZ-UHFFFAOYSA-N 2 2 286.326 0.714 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]C[C@@H]1CCCOC1 ZINC001147871769 840708413 /nfs/dbraw/zinc/70/84/13/840708413.db2.gz LJPMHMJVCBPALW-LBPRGKRZSA-N 2 2 280.372 0.095 20 0 CCADLP Cc1cnc([C@@H](C)[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)o1 ZINC001147977648 840726904 /nfs/dbraw/zinc/72/69/04/840726904.db2.gz UDCNBGSENKHHDL-GFCCVEGCSA-N 2 2 292.383 0.846 20 0 CCADLP NC(=[NH2+])Nc1ccc(C(=O)N2CCc3[nH+]ccn3CC2)cc1 ZINC001148645722 840863024 /nfs/dbraw/zinc/86/30/24/840863024.db2.gz HNSZQPYVHZQTPA-UHFFFAOYSA-N 2 2 298.350 0.887 20 0 CCADLP O=S1(=O)CCCN1CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000715013335 841243989 /nfs/dbraw/zinc/24/39/89/841243989.db2.gz RQPSIINCHYJGSW-OLZOCXBDSA-N 2 2 287.429 0.096 20 0 CCADLP O=S1(=O)CCCN1CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000715013335 841243991 /nfs/dbraw/zinc/24/39/91/841243991.db2.gz RQPSIINCHYJGSW-OLZOCXBDSA-N 2 2 287.429 0.096 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]2[C@@H](CC[N@H+]2CCF)C1 ZINC001036851817 841396183 /nfs/dbraw/zinc/39/61/83/841396183.db2.gz RYVZFXSUPZQOMK-RYUDHWBXSA-N 2 2 280.347 0.845 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]2[C@@H](CC[N@@H+]2CCF)C1 ZINC001036851817 841396195 /nfs/dbraw/zinc/39/61/95/841396195.db2.gz RYVZFXSUPZQOMK-RYUDHWBXSA-N 2 2 280.347 0.845 20 0 CCADLP CCc1nc(NCCNC(=O)C[NH+]2CCCC2)cc(C)[nH+]1 ZINC001093652223 841403426 /nfs/dbraw/zinc/40/34/26/841403426.db2.gz JWTIRKOCBHIVFF-UHFFFAOYSA-N 2 2 291.399 0.971 20 0 CCADLP Cc1nc(NCCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)cc[nH+]1 ZINC001094118970 841536873 /nfs/dbraw/zinc/53/68/73/841536873.db2.gz NRDBFQOMQNALKR-PWSUYJOCSA-N 2 2 277.372 0.511 20 0 CCADLP Cc1nc(NCCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)cc[nH+]1 ZINC001094118970 841536886 /nfs/dbraw/zinc/53/68/86/841536886.db2.gz NRDBFQOMQNALKR-PWSUYJOCSA-N 2 2 277.372 0.511 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCO)C1 ZINC001036881186 841644938 /nfs/dbraw/zinc/64/49/38/841644938.db2.gz QXNWWANBDPUXKP-TZMCWYRMSA-N 2 2 292.383 0.176 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CCO)C1 ZINC001036881186 841644946 /nfs/dbraw/zinc/64/49/46/841644946.db2.gz QXNWWANBDPUXKP-TZMCWYRMSA-N 2 2 292.383 0.176 20 0 CCADLP CC[C@@H](C[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1)OC ZINC001204075765 841771087 /nfs/dbraw/zinc/77/10/87/841771087.db2.gz DUJJWPVLGXMSCQ-AWEZNQCLSA-N 2 2 294.399 0.889 20 0 CCADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC(N3CCNC(=O)C3)C1)C2 ZINC001172125035 841835113 /nfs/dbraw/zinc/83/51/13/841835113.db2.gz NUHBSTSXNFSWJE-WDNDVIMCSA-N 2 2 292.427 0.118 20 0 CCADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CC(N3CCNC(=O)C3)C1)C2 ZINC001172125035 841835120 /nfs/dbraw/zinc/83/51/20/841835120.db2.gz NUHBSTSXNFSWJE-WDNDVIMCSA-N 2 2 292.427 0.118 20 0 CCADLP CN(CC[NH+]1CCCC1)C1C[C@@H]2COC[C@H](C1)[N@@H+]2C ZINC001172137811 841843468 /nfs/dbraw/zinc/84/34/68/841843468.db2.gz BZORVZXUARNKNV-GOOCMWNKSA-N 2 2 267.417 0.876 20 0 CCADLP CN(CC[NH+]1CCCC1)C1C[C@@H]2COC[C@H](C1)[N@H+]2C ZINC001172137811 841843478 /nfs/dbraw/zinc/84/34/78/841843478.db2.gz BZORVZXUARNKNV-GOOCMWNKSA-N 2 2 267.417 0.876 20 0 CCADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172151341 841862847 /nfs/dbraw/zinc/86/28/47/841862847.db2.gz UOESMUUUVIHLHZ-AGIUHOORSA-N 2 2 251.374 0.824 20 0 CCADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172151341 841862850 /nfs/dbraw/zinc/86/28/50/841862850.db2.gz UOESMUUUVIHLHZ-AGIUHOORSA-N 2 2 251.374 0.824 20 0 CCADLP CO[C@@H]1CCC[C@H](NC(=[NH2+])N2CC[NH+](C)CC2)C1 ZINC001172917022 841984250 /nfs/dbraw/zinc/98/42/50/841984250.db2.gz DIDXLLDQIQAPBD-NWDGAFQWSA-N 2 2 254.378 0.716 20 0 CCADLP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[NH2+][C@@H]1COC[C@H]1[NH3+] ZINC001172952798 841990202 /nfs/dbraw/zinc/99/02/02/841990202.db2.gz HOWQSHPGCNQYCV-QJPTWQEYSA-N 2 2 287.404 0.948 20 0 CCADLP Cc1nc(N2CCCN(C(=O)CC[NH+](C)C)CC2)cc[nH+]1 ZINC001095204948 842094763 /nfs/dbraw/zinc/09/47/63/842094763.db2.gz NSFOJVLRYUFNMH-UHFFFAOYSA-N 2 2 291.399 0.775 20 0 CCADLP C[C@@H]([NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1)C(N)=O ZINC001175462971 842251241 /nfs/dbraw/zinc/25/12/41/842251241.db2.gz WGQASHYSOVHPBS-WDEREUQCSA-N 2 2 295.387 0.091 20 0 CCADLP CCOC(=O)CC1([NH3+])CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001176836573 842421369 /nfs/dbraw/zinc/42/13/69/842421369.db2.gz UQGYXTKZWNLWJY-UHFFFAOYSA-N 2 2 294.355 0.225 20 0 CCADLP CC[NH2+]CCCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001177063680 842496713 /nfs/dbraw/zinc/49/67/13/842496713.db2.gz ARIRLPNKKAJVGP-CYBMUJFWSA-N 2 2 264.373 0.800 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]C[C@@H]1C[C@@]12CCOC2 ZINC001177405985 842578548 /nfs/dbraw/zinc/57/85/48/842578548.db2.gz UTBGMEMZFQDNIR-DZGCQCFKSA-N 2 2 292.383 0.406 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]C[C@H]1C[C@@]12CCOC2 ZINC001177405987 842579621 /nfs/dbraw/zinc/57/96/21/842579621.db2.gz UTBGMEMZFQDNIR-UKRRQHHQSA-N 2 2 292.383 0.406 20 0 CCADLP CN(CC(=O)N(CC[NH3+])c1cccnc1)c1cccc[nH+]1 ZINC001177414208 842584956 /nfs/dbraw/zinc/58/49/56/842584956.db2.gz WFOZDVZLKAPHBX-UHFFFAOYSA-N 2 2 285.351 0.905 20 0 CCADLP CC[C@@H]1C[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CCO1 ZINC001177524413 842620872 /nfs/dbraw/zinc/62/08/72/842620872.db2.gz CMBNBEAVOMJLDC-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP N=C(NC(=O)[C@H]1CCc2[nH+]ccn2C1)SCC[NH3+] ZINC001178119929 842763347 /nfs/dbraw/zinc/76/33/47/842763347.db2.gz ZWQPVGGPPSDSNR-QMMMGPOBSA-N 2 2 267.358 0.188 20 0 CCADLP Cc1cnc([C@H](C)[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001151057427 843596495 /nfs/dbraw/zinc/59/64/95/843596495.db2.gz TVBYGEPCZVVMDG-RYUDHWBXSA-N 2 2 280.372 0.702 20 0 CCADLP Cc1cnc([C@H](C)[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001151057427 843596499 /nfs/dbraw/zinc/59/64/99/843596499.db2.gz TVBYGEPCZVVMDG-RYUDHWBXSA-N 2 2 280.372 0.702 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000151850726 843603878 /nfs/dbraw/zinc/60/38/78/843603878.db2.gz KTOALYOTONKXKW-ZDUSSCGKSA-N 2 2 274.324 0.395 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000151850726 843603882 /nfs/dbraw/zinc/60/38/82/843603882.db2.gz KTOALYOTONKXKW-ZDUSSCGKSA-N 2 2 274.324 0.395 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2cc3c(cn2)OCCC3)C[C@H]1O ZINC001206464990 843632303 /nfs/dbraw/zinc/63/23/03/843632303.db2.gz VLXRURNHDVYFAA-WCQYABFASA-N 2 2 263.341 0.158 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc3c(cn2)OCCC3)C[C@H]1O ZINC001206464990 843632306 /nfs/dbraw/zinc/63/23/06/843632306.db2.gz VLXRURNHDVYFAA-WCQYABFASA-N 2 2 263.341 0.158 20 0 CCADLP CCN(C(=O)[C@H]1CC[N@@H+](C(C)C)C1)C1C[NH+](C)C1 ZINC001181978292 843655619 /nfs/dbraw/zinc/65/56/19/843655619.db2.gz QKEHTVIFHLDNEA-LBPRGKRZSA-N 2 2 253.390 0.879 20 0 CCADLP CCN(C(=O)[C@H]1CC[N@H+](C(C)C)C1)C1C[NH+](C)C1 ZINC001181978292 843655624 /nfs/dbraw/zinc/65/56/24/843655624.db2.gz QKEHTVIFHLDNEA-LBPRGKRZSA-N 2 2 253.390 0.879 20 0 CCADLP CCN(C(=O)C1(C)CC[NH+](C)CC1)C1C[NH+](C)C1 ZINC001181985002 843663502 /nfs/dbraw/zinc/66/35/02/843663502.db2.gz QPTFVMJKHCLPEQ-UHFFFAOYSA-N 2 2 253.390 0.881 20 0 CCADLP C[NH+]1CCC(C)(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001181990041 843664571 /nfs/dbraw/zinc/66/45/71/843664571.db2.gz ITWUTARHPCCIAI-GFCCVEGCSA-N 2 2 269.389 0.165 20 0 CCADLP C[NH+]1CCC(C)(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001181990041 843664578 /nfs/dbraw/zinc/66/45/78/843664578.db2.gz ITWUTARHPCCIAI-GFCCVEGCSA-N 2 2 269.389 0.165 20 0 CCADLP C[NH+]1CCC(O)(C(=O)NCc2c[nH+]cn2C2CCC2)CC1 ZINC001182036660 843685391 /nfs/dbraw/zinc/68/53/91/843685391.db2.gz HQNFCYUGIWBJAE-UHFFFAOYSA-N 2 2 292.383 0.681 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(N3CCCC3)o2)C[C@@H]1O ZINC001206512423 843809712 /nfs/dbraw/zinc/80/97/12/843809712.db2.gz OOYMXVJTOWNZIA-AAEUAGOBSA-N 2 2 265.357 0.631 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)o2)C[C@@H]1O ZINC001206512423 843809724 /nfs/dbraw/zinc/80/97/24/843809724.db2.gz OOYMXVJTOWNZIA-AAEUAGOBSA-N 2 2 265.357 0.631 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@]1(C)C[NH2+]CCCO ZINC001182996403 843946873 /nfs/dbraw/zinc/94/68/73/843946873.db2.gz AOUGKOXRVRHRGH-IUODEOHRSA-N 2 2 294.399 0.409 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CCO)C1 ZINC001183271683 843998274 /nfs/dbraw/zinc/99/82/74/843998274.db2.gz NWKMFZMGYXBSJF-IAQYHMDHSA-N 2 2 294.399 0.327 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC001187284281 844686599 /nfs/dbraw/zinc/68/65/99/844686599.db2.gz NMVMDRGFCQHVLS-GFCCVEGCSA-N 2 2 295.387 0.410 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC001187284281 844686603 /nfs/dbraw/zinc/68/66/03/844686603.db2.gz NMVMDRGFCQHVLS-GFCCVEGCSA-N 2 2 295.387 0.410 20 0 CCADLP COC[C@H](C)[NH+]1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000076613966 845071763 /nfs/dbraw/zinc/07/17/63/845071763.db2.gz FXXLQOAQFFHQTE-AWEZNQCLSA-N 2 2 294.399 0.842 20 0 CCADLP C[C@@H](CN1CC[N@H+](C)CC1(C)C)C[NH+]1CCOCC1 ZINC001192261923 845810408 /nfs/dbraw/zinc/81/04/08/845810408.db2.gz MHIRUARMNLYYTO-CQSZACIVSA-N 2 2 269.433 0.981 20 0 CCADLP C[C@@H](CN1CC[N@@H+](C)CC1(C)C)C[NH+]1CCOCC1 ZINC001192261923 845810417 /nfs/dbraw/zinc/81/04/17/845810417.db2.gz MHIRUARMNLYYTO-CQSZACIVSA-N 2 2 269.433 0.981 20 0 CCADLP CCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192581124 845877874 /nfs/dbraw/zinc/87/78/74/845877874.db2.gz TYPQSTIKXZOSAZ-CHWSQXEVSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@@H](CC(=O)N1CC[C@@H]([N@H+](C)CCCO)C1)n1cc[nH+]c1 ZINC001192578010 845879249 /nfs/dbraw/zinc/87/92/49/845879249.db2.gz LDVQARQRLONSRH-UONOGXRCSA-N 2 2 294.399 0.749 20 0 CCADLP C[C@@H](CC(=O)N1CC[C@@H]([N@@H+](C)CCCO)C1)n1cc[nH+]c1 ZINC001192578010 845879254 /nfs/dbraw/zinc/87/92/54/845879254.db2.gz LDVQARQRLONSRH-UONOGXRCSA-N 2 2 294.399 0.749 20 0 CCADLP COC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001193460324 846080823 /nfs/dbraw/zinc/08/08/23/846080823.db2.gz AZAMPQVPQNKLJN-QWHCGFSZSA-N 2 2 294.399 0.530 20 0 CCADLP COC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001193460324 846080830 /nfs/dbraw/zinc/08/08/30/846080830.db2.gz AZAMPQVPQNKLJN-QWHCGFSZSA-N 2 2 294.399 0.530 20 0 CCADLP CC[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001193601825 846137943 /nfs/dbraw/zinc/13/79/43/846137943.db2.gz MGTGJLIJWNDMJQ-MRVWCRGKSA-N 2 2 294.399 0.550 20 0 CCADLP CC[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001193601825 846137948 /nfs/dbraw/zinc/13/79/48/846137948.db2.gz MGTGJLIJWNDMJQ-MRVWCRGKSA-N 2 2 294.399 0.550 20 0 CCADLP CC[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001193601825 846137953 /nfs/dbraw/zinc/13/79/53/846137953.db2.gz MGTGJLIJWNDMJQ-MRVWCRGKSA-N 2 2 294.399 0.550 20 0 CCADLP CC[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001193601825 846137959 /nfs/dbraw/zinc/13/79/59/846137959.db2.gz MGTGJLIJWNDMJQ-MRVWCRGKSA-N 2 2 294.399 0.550 20 0 CCADLP CC[C@@H](C[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)OC ZINC001194460900 846296388 /nfs/dbraw/zinc/29/63/88/846296388.db2.gz STQUHEGRDMOYSJ-KBPBESRZSA-N 2 2 294.399 0.841 20 0 CCADLP CC[C@@H](C[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1)OC ZINC001194460900 846296395 /nfs/dbraw/zinc/29/63/95/846296395.db2.gz STQUHEGRDMOYSJ-KBPBESRZSA-N 2 2 294.399 0.841 20 0 CCADLP CCOCC[N@@H+]1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001195652883 846600703 /nfs/dbraw/zinc/60/07/03/846600703.db2.gz ZYMPTOIBFUSEHM-UHFFFAOYSA-N 2 2 294.399 0.913 20 0 CCADLP CCOCC[N@H+]1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001195652883 846600708 /nfs/dbraw/zinc/60/07/08/846600708.db2.gz ZYMPTOIBFUSEHM-UHFFFAOYSA-N 2 2 294.399 0.913 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]CCCO)C12CCC2 ZINC001203814305 846606839 /nfs/dbraw/zinc/60/68/39/846606839.db2.gz JMTGCIJPXGEGDE-STQMWFEESA-N 2 2 292.383 0.283 20 0 CCADLP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001196498984 846764271 /nfs/dbraw/zinc/76/42/71/846764271.db2.gz JNRDUGIEKCBDQX-IJLUTSLNSA-N 2 2 266.345 0.015 20 0 CCADLP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001196498984 846764279 /nfs/dbraw/zinc/76/42/79/846764279.db2.gz JNRDUGIEKCBDQX-IJLUTSLNSA-N 2 2 266.345 0.015 20 0 CCADLP CC(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001196500841 846766126 /nfs/dbraw/zinc/76/61/26/846766126.db2.gz WIVMLYWVMYOAIQ-BFHYXJOUSA-N 2 2 294.399 0.652 20 0 CCADLP CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001196500841 846766133 /nfs/dbraw/zinc/76/61/33/846766133.db2.gz WIVMLYWVMYOAIQ-BFHYXJOUSA-N 2 2 294.399 0.652 20 0 CCADLP COc1cc[nH+]c(NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC001251003487 846779518 /nfs/dbraw/zinc/77/95/18/846779518.db2.gz LUIKKCYFOUQYFR-LLVKDONJSA-N 2 2 267.329 0.195 20 0 CCADLP COCCC[N@@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001197269900 846888793 /nfs/dbraw/zinc/88/87/93/846888793.db2.gz VKLOZRWKHIPUOL-UHFFFAOYSA-N 2 2 280.372 0.523 20 0 CCADLP COCCC[N@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001197269900 846888797 /nfs/dbraw/zinc/88/87/97/846888797.db2.gz VKLOZRWKHIPUOL-UHFFFAOYSA-N 2 2 280.372 0.523 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C/C=C/Cl)C[C@H]1O ZINC001198046829 847027109 /nfs/dbraw/zinc/02/71/09/847027109.db2.gz GJFKZURQVIGBQP-GKUNOOHESA-N 2 2 289.807 0.242 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C/C=C/Cl)C[C@H]1O ZINC001198046829 847027114 /nfs/dbraw/zinc/02/71/14/847027114.db2.gz GJFKZURQVIGBQP-GKUNOOHESA-N 2 2 289.807 0.242 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O ZINC001198046829 847027122 /nfs/dbraw/zinc/02/71/22/847027122.db2.gz GJFKZURQVIGBQP-GKUNOOHESA-N 2 2 289.807 0.242 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O ZINC001198046829 847027129 /nfs/dbraw/zinc/02/71/29/847027129.db2.gz GJFKZURQVIGBQP-GKUNOOHESA-N 2 2 289.807 0.242 20 0 CCADLP CC(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001198275938 847077954 /nfs/dbraw/zinc/07/79/54/847077954.db2.gz HLEWXUTYOTVYSN-ZIAGYGMSSA-N 2 2 294.399 0.170 20 0 CCADLP CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001198275938 847077957 /nfs/dbraw/zinc/07/79/57/847077957.db2.gz HLEWXUTYOTVYSN-ZIAGYGMSSA-N 2 2 294.399 0.170 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CCCO[C@H](C[NH2+]CCF)C1 ZINC001200367311 847614936 /nfs/dbraw/zinc/61/49/36/847614936.db2.gz NJULMKQEWALGTR-GFCCVEGCSA-N 2 2 298.362 0.519 20 0 CCADLP C[NH+]1CCC([N@@H+]2CCC[C@]23CCN(C2COC2)C3=O)CC1 ZINC001273829738 847619812 /nfs/dbraw/zinc/61/98/12/847619812.db2.gz MFSKRLAMMJWSPF-MRXNPFEDSA-N 2 2 293.411 0.546 20 0 CCADLP C[NH+]1CCC([N@H+]2CCC[C@]23CCN(C2COC2)C3=O)CC1 ZINC001273829738 847619820 /nfs/dbraw/zinc/61/98/20/847619820.db2.gz MFSKRLAMMJWSPF-MRXNPFEDSA-N 2 2 293.411 0.546 20 0 CCADLP COCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001201124891 847734886 /nfs/dbraw/zinc/73/48/86/847734886.db2.gz APXWWXXVGCIZBY-CHWSQXEVSA-N 2 2 292.383 0.740 20 0 CCADLP COCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001201124891 847734893 /nfs/dbraw/zinc/73/48/93/847734893.db2.gz APXWWXXVGCIZBY-CHWSQXEVSA-N 2 2 292.383 0.740 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCC([NH2+]CCCO)CC1 ZINC001201892904 847823640 /nfs/dbraw/zinc/82/36/40/847823640.db2.gz NJNUMKVWHSUFLY-UHFFFAOYSA-N 2 2 280.372 0.236 20 0 CCADLP CC(C)[N@@H+]1C[C@]2(F)CN(CC[NH+](C)C)C(=O)[C@]2(F)C1 ZINC001273915742 847829099 /nfs/dbraw/zinc/82/90/99/847829099.db2.gz TYJDUFWQXQWIGC-CHWSQXEVSA-N 2 2 275.343 0.531 20 0 CCADLP CC(C)[N@H+]1C[C@]2(F)CN(CC[NH+](C)C)C(=O)[C@]2(F)C1 ZINC001273915742 847829103 /nfs/dbraw/zinc/82/91/03/847829103.db2.gz TYJDUFWQXQWIGC-CHWSQXEVSA-N 2 2 275.343 0.531 20 0 CCADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@H](O)c1ccc(F)cc1F ZINC000717319090 848227443 /nfs/dbraw/zinc/22/74/43/848227443.db2.gz SJMIBTPMRJGUJL-GWCFXTLKSA-N 2 2 274.311 0.510 20 0 CCADLP CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc1cnon1)[NH+](C)C ZINC001274368565 848461371 /nfs/dbraw/zinc/46/13/71/848461371.db2.gz MUNOGEIFSRMZEH-FJOGCWAESA-N 2 2 281.360 0.172 20 0 CCADLP CC[NH+]1CC2(CCN2C(=O)[C@@H]2CC3CC[NH+]2CC3)C1 ZINC001275079205 848629550 /nfs/dbraw/zinc/62/95/50/848629550.db2.gz JLFBYRZXEWGIAX-ZDUSSCGKSA-N 2 2 263.385 0.777 20 0 CCADLP C[NH+](C)CCN1C[C@@H]2C[N@@H+](CCC(F)(F)F)C[C@H](C1)O2 ZINC001275164131 848653036 /nfs/dbraw/zinc/65/30/36/848653036.db2.gz DSWIXJJPMNGDAE-TXEJJXNPSA-N 2 2 295.349 0.885 20 0 CCADLP C[NH+](C)CCN1C[C@@H]2C[N@H+](CCC(F)(F)F)C[C@H](C1)O2 ZINC001275164131 848653044 /nfs/dbraw/zinc/65/30/44/848653044.db2.gz DSWIXJJPMNGDAE-TXEJJXNPSA-N 2 2 295.349 0.885 20 0 CCADLP COCC[NH2+]CC1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001275243186 848677377 /nfs/dbraw/zinc/67/73/77/848677377.db2.gz NIJQGLVBGYTSHP-FIYWTHMPSA-N 2 2 292.383 0.644 20 0 CCADLP COCC[NH2+]CC1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001275243186 848677385 /nfs/dbraw/zinc/67/73/85/848677385.db2.gz NIJQGLVBGYTSHP-FIYWTHMPSA-N 2 2 292.383 0.644 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[NH2+]CC1CC1 ZINC001275422748 848717508 /nfs/dbraw/zinc/71/75/08/848717508.db2.gz YNJRZQBEACXHBT-VIFPVBQESA-N 2 2 250.346 0.765 20 0 CCADLP COCC[NH2+]C1CCC(N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001275632960 848779697 /nfs/dbraw/zinc/77/96/97/848779697.db2.gz RDWJOQQTQSSXOF-UHFFFAOYSA-N 2 2 294.399 0.958 20 0 CCADLP C[NH+](C)CCN1CCC12C[NH+](Cc1ccncc1)C2 ZINC001275889561 848856217 /nfs/dbraw/zinc/85/62/17/848856217.db2.gz VOMAXPJUOLPOAU-UHFFFAOYSA-N 2 2 260.385 0.903 20 0 CCADLP c1cn(CC[N@H+]2C[C@H]3C[C@@H](C2)N3Cc2cncnc2)c[nH+]1 ZINC001276301904 849177616 /nfs/dbraw/zinc/17/76/16/849177616.db2.gz JAJXPLCOKLNSOH-GASCZTMLSA-N 2 2 284.367 0.632 20 0 CCADLP c1cn(CC[N@@H+]2C[C@H]3C[C@@H](C2)N3Cc2cncnc2)c[nH+]1 ZINC001276301904 849177620 /nfs/dbraw/zinc/17/76/20/849177620.db2.gz JAJXPLCOKLNSOH-GASCZTMLSA-N 2 2 284.367 0.632 20 0 CCADLP CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC001037117548 849337722 /nfs/dbraw/zinc/33/77/22/849337722.db2.gz PNYJCJWDFGQJHK-YPMHNXCESA-N 2 2 264.373 0.857 20 0 CCADLP CC[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720809873 849541395 /nfs/dbraw/zinc/54/13/95/849541395.db2.gz BIEBKHGVRPMJLX-NRWUCQMLSA-N 2 2 253.390 0.831 20 0 CCADLP CC[C@@H](C)NC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720809873 849541400 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O=C(NC[C@@H]1CC[N@H+]1CCO)c1ccn2c[nH+]cc2c1 ZINC001038465563 849913500 /nfs/dbraw/zinc/91/35/00/849913500.db2.gz MGCGYBHTPRFQPT-LBPRGKRZSA-N 2 2 274.324 0.131 20 0 CCADLP O=C(NC[C@@H]1CC[N@@H+]1CCO)c1ccn2c[nH+]cc2c1 ZINC001038465563 849913504 /nfs/dbraw/zinc/91/35/04/849913504.db2.gz MGCGYBHTPRFQPT-LBPRGKRZSA-N 2 2 274.324 0.131 20 0 CCADLP CC[N@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001041786415 850502489 /nfs/dbraw/zinc/50/24/89/850502489.db2.gz GQDYNNRJOHTMMM-HNNXBMFYSA-N 2 2 276.384 0.907 20 0 CCADLP CC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001041786415 850502488 /nfs/dbraw/zinc/50/24/88/850502488.db2.gz GQDYNNRJOHTMMM-HNNXBMFYSA-N 2 2 276.384 0.907 20 0 CCADLP COCC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001042379069 850622110 /nfs/dbraw/zinc/62/21/10/850622110.db2.gz FVYPGXWEKYMVEB-UONOGXRCSA-N 2 2 292.383 0.452 20 0 CCADLP COCC[N@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001042379069 850622112 /nfs/dbraw/zinc/62/21/12/850622112.db2.gz 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852619669 /nfs/dbraw/zinc/61/96/69/852619669.db2.gz CZCKYPUPQMXHHE-ZQDZILKHSA-N 2 2 268.401 0.942 20 0 CCADLP Cc1nc(N[C@@H](C)CNC(=O)C[NH+]2CCCC2)cc[nH+]1 ZINC001097866883 852646239 /nfs/dbraw/zinc/64/62/39/852646239.db2.gz IIIOMPLHWSNDIN-NSHDSACASA-N 2 2 277.372 0.797 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[N@H+](CCCO)CC1 ZINC001052867651 852664641 /nfs/dbraw/zinc/66/46/41/852664641.db2.gz NBKVUUWLZYLOKA-ZDUSSCGKSA-N 2 2 294.399 0.316 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[N@@H+](CCCO)CC1 ZINC001052867651 852664645 /nfs/dbraw/zinc/66/46/45/852664645.db2.gz NBKVUUWLZYLOKA-ZDUSSCGKSA-N 2 2 294.399 0.316 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@@H+](C[C@@H](C)O)CC1 ZINC001052896727 852667765 /nfs/dbraw/zinc/66/77/65/852667765.db2.gz CXMMHNNZGGLMCF-YPMHNXCESA-N 2 2 294.399 0.612 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@H+](C[C@@H](C)O)CC1 ZINC001052896727 852667773 /nfs/dbraw/zinc/66/77/73/852667773.db2.gz CXMMHNNZGGLMCF-YPMHNXCESA-N 2 2 294.399 0.612 20 0 CCADLP CC(C)[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCO2 ZINC001053261037 852719911 /nfs/dbraw/zinc/71/99/11/852719911.db2.gz SDQUVYOUGXODNV-ZIAGYGMSSA-N 2 2 295.427 0.648 20 0 CCADLP CC(C)[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCO2 ZINC001053261037 852719916 /nfs/dbraw/zinc/71/99/16/852719916.db2.gz SDQUVYOUGXODNV-ZIAGYGMSSA-N 2 2 295.427 0.648 20 0 CCADLP CC(C)[NH+]1CC2(C1)CN(C(=O)[C@H]1CC[N@H+](C)C1)CCO2 ZINC001053530608 852754282 /nfs/dbraw/zinc/75/42/82/852754282.db2.gz CKJHYPNCFPKNJJ-ZDUSSCGKSA-N 2 2 281.400 0.260 20 0 CCADLP CC(C)[NH+]1CC2(C1)CN(C(=O)[C@H]1CC[N@@H+](C)C1)CCO2 ZINC001053530608 852754287 /nfs/dbraw/zinc/75/42/87/852754287.db2.gz CKJHYPNCFPKNJJ-ZDUSSCGKSA-N 2 2 281.400 0.260 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)CO2 ZINC001053756505 852806713 /nfs/dbraw/zinc/80/67/13/852806713.db2.gz YGIWESGAKDXTHH-RYUDHWBXSA-N 2 2 267.373 0.060 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)CO2 ZINC001053756505 852806717 /nfs/dbraw/zinc/80/67/17/852806717.db2.gz YGIWESGAKDXTHH-RYUDHWBXSA-N 2 2 267.373 0.060 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)CO2 ZINC001053926341 852849199 /nfs/dbraw/zinc/84/91/99/852849199.db2.gz DOZXCZURDNGPEA-STQMWFEESA-N 2 2 281.400 0.450 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@H+]1CCC[C@@H]1C)CO2 ZINC001053926341 852849201 /nfs/dbraw/zinc/84/92/01/852849201.db2.gz DOZXCZURDNGPEA-STQMWFEESA-N 2 2 281.400 0.450 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC2(C1)CC[NH+](CCF)CC2 ZINC001050730966 853420567 /nfs/dbraw/zinc/42/05/67/853420567.db2.gz QKKSQCSPDJXGDB-UHFFFAOYSA-N 2 2 294.374 0.857 20 0 CCADLP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2COCC[NH+]2CC)C1 ZINC001051075068 853518895 /nfs/dbraw/zinc/51/88/95/853518895.db2.gz IGJUOONBKXDPQO-HUUCEWRRSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2COCC[NH+]2CC)C1 ZINC001051075068 853518898 /nfs/dbraw/zinc/51/88/98/853518898.db2.gz IGJUOONBKXDPQO-HUUCEWRRSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2COCC[N@@H+]2CC)C1 ZINC001051075068 853518900 /nfs/dbraw/zinc/51/89/00/853518900.db2.gz IGJUOONBKXDPQO-HUUCEWRRSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2COCC[N@H+]2CC)C1 ZINC001051075068 853518902 /nfs/dbraw/zinc/51/89/02/853518902.db2.gz IGJUOONBKXDPQO-HUUCEWRRSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001051206825 853546198 /nfs/dbraw/zinc/54/61/98/853546198.db2.gz CLEFPAOFJJTPIT-ZDUSSCGKSA-N 2 2 281.400 0.309 20 0 CCADLP CCC[N@H+]1CCOC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001051206825 853546210 /nfs/dbraw/zinc/54/62/10/853546210.db2.gz CLEFPAOFJJTPIT-ZDUSSCGKSA-N 2 2 281.400 0.309 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CCO1 ZINC001051690590 853624659 /nfs/dbraw/zinc/62/46/59/853624659.db2.gz MNOQYJJRVQUPPR-GXTWGEPZSA-N 2 2 292.383 0.282 20 0 CCADLP CC(C)[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001051744697 853637661 /nfs/dbraw/zinc/63/76/61/853637661.db2.gz LEWGIRVUSLNUSA-ZDUSSCGKSA-N 2 2 280.372 0.499 20 0 CCADLP CCS(=O)(=O)CC[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397309504 854410694 /nfs/dbraw/zinc/41/06/94/854410694.db2.gz ODLKRMPIMGKTQI-WOPDTQHZSA-N 2 2 262.419 0.726 20 0 CCADLP CCS(=O)(=O)CC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397309504 854410699 /nfs/dbraw/zinc/41/06/99/854410699.db2.gz ODLKRMPIMGKTQI-WOPDTQHZSA-N 2 2 262.419 0.726 20 0 CCADLP CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001098774136 854884589 /nfs/dbraw/zinc/88/45/89/854884589.db2.gz VMRSPHNGFOTECQ-YDHLFZDLSA-N 2 2 281.400 0.308 20 0 CCADLP CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001098774136 854884592 /nfs/dbraw/zinc/88/45/92/854884592.db2.gz VMRSPHNGFOTECQ-YDHLFZDLSA-N 2 2 281.400 0.308 20 0 CCADLP CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001098774136 854884593 /nfs/dbraw/zinc/88/45/93/854884593.db2.gz VMRSPHNGFOTECQ-YDHLFZDLSA-N 2 2 281.400 0.308 20 0 CCADLP CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001098774136 854884597 /nfs/dbraw/zinc/88/45/97/854884597.db2.gz VMRSPHNGFOTECQ-YDHLFZDLSA-N 2 2 281.400 0.308 20 0 CCADLP COC(=O)N(C)CC[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000689549921 854894295 /nfs/dbraw/zinc/89/42/95/854894295.db2.gz WJYAABSKIBKVOJ-WDEREUQCSA-N 2 2 259.350 0.041 20 0 CCADLP CC(C)C[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001099872319 855012220 /nfs/dbraw/zinc/01/22/20/855012220.db2.gz SGCMQHWBPAFFNG-ZIAGYGMSSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)C[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001099872319 855012233 /nfs/dbraw/zinc/01/22/33/855012233.db2.gz SGCMQHWBPAFFNG-ZIAGYGMSSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)C[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](O)C1 ZINC001099872319 855012237 /nfs/dbraw/zinc/01/22/37/855012237.db2.gz SGCMQHWBPAFFNG-ZIAGYGMSSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)C[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](O)C1 ZINC001099872319 855012245 /nfs/dbraw/zinc/01/22/45/855012245.db2.gz SGCMQHWBPAFFNG-ZIAGYGMSSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001099872056 855012606 /nfs/dbraw/zinc/01/26/06/855012606.db2.gz ODIGFTJXXQUYGR-CHWSQXEVSA-N 2 2 280.372 0.302 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001099872056 855012612 /nfs/dbraw/zinc/01/26/12/855012612.db2.gz ODIGFTJXXQUYGR-CHWSQXEVSA-N 2 2 280.372 0.302 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](O)C1 ZINC001099872056 855012621 /nfs/dbraw/zinc/01/26/21/855012621.db2.gz ODIGFTJXXQUYGR-CHWSQXEVSA-N 2 2 280.372 0.302 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](O)C1 ZINC001099872056 855012633 /nfs/dbraw/zinc/01/26/33/855012633.db2.gz ODIGFTJXXQUYGR-CHWSQXEVSA-N 2 2 280.372 0.302 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC1CC([NH2+]CCF)C1 ZINC001100550386 855185703 /nfs/dbraw/zinc/18/57/03/855185703.db2.gz HPGZBHMYZFXTGZ-UHFFFAOYSA-N 2 2 268.336 0.727 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@H+](CCO)C[C@H]1C ZINC001102456372 855436194 /nfs/dbraw/zinc/43/61/94/855436194.db2.gz XJTSYOHLUSISAN-YNEHKIRRSA-N 2 2 294.399 0.265 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001102456372 855436197 /nfs/dbraw/zinc/43/61/97/855436197.db2.gz XJTSYOHLUSISAN-YNEHKIRRSA-N 2 2 294.399 0.265 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[N@H+](CCO)C[C@H]1C ZINC001102456372 855436203 /nfs/dbraw/zinc/43/62/03/855436203.db2.gz XJTSYOHLUSISAN-YNEHKIRRSA-N 2 2 294.399 0.265 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@H]1C ZINC001102456372 855436205 /nfs/dbraw/zinc/43/62/05/855436205.db2.gz XJTSYOHLUSISAN-YNEHKIRRSA-N 2 2 294.399 0.265 20 0 CCADLP COC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102616701 855451513 /nfs/dbraw/zinc/45/15/13/855451513.db2.gz OEXXWQDEUYDTAU-MGPQQGTHSA-N 2 2 294.399 0.602 20 0 CCADLP COC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102616701 855451518 /nfs/dbraw/zinc/45/15/18/855451518.db2.gz OEXXWQDEUYDTAU-MGPQQGTHSA-N 2 2 294.399 0.602 20 0 CCADLP COC[C@H](C)[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102616700 855451714 /nfs/dbraw/zinc/45/17/14/855451714.db2.gz OEXXWQDEUYDTAU-HZSPNIEDSA-N 2 2 294.399 0.602 20 0 CCADLP COC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102616700 855451719 /nfs/dbraw/zinc/45/17/19/855451719.db2.gz OEXXWQDEUYDTAU-HZSPNIEDSA-N 2 2 294.399 0.602 20 0 CCADLP C[NH+]1CCC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001116351948 855752004 /nfs/dbraw/zinc/75/20/04/855752004.db2.gz NIKGYTQHHKKOII-NSHDSACASA-N 2 2 262.357 0.656 20 0 CCADLP CN(C)c1ncccc1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC001117541330 856009821 /nfs/dbraw/zinc/00/98/21/856009821.db2.gz PKHNHKSHZOMAFC-AWEZNQCLSA-N 2 2 266.389 0.550 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC001117634063 856030273 /nfs/dbraw/zinc/03/02/73/856030273.db2.gz YAKGDXQFVHQJLB-IUCAKERBSA-N 2 2 257.359 0.290 20 0 CCADLP C[NH2+]C[C@H]1CCCCN1C(=O)NCc1c[nH+]cn1C ZINC001119475739 856699657 /nfs/dbraw/zinc/69/96/57/856699657.db2.gz QZRZKLSDHIWGSS-LLVKDONJSA-N 2 2 265.361 0.704 20 0 CCADLP C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001120455017 857076204 /nfs/dbraw/zinc/07/62/04/857076204.db2.gz ZPBNPKIDVZISRH-RYUDHWBXSA-N 2 2 262.357 0.513 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001393508276 912612174 /nfs/dbraw/zinc/61/21/74/912612174.db2.gz UMGZSFDNRLBERL-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001393508276 912612180 /nfs/dbraw/zinc/61/21/80/912612180.db2.gz UMGZSFDNRLBERL-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+]1CCOC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001393508276 912612186 /nfs/dbraw/zinc/61/21/86/912612186.db2.gz UMGZSFDNRLBERL-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+]1CCOC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001393508276 912612199 /nfs/dbraw/zinc/61/21/99/912612199.db2.gz UMGZSFDNRLBERL-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP COCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001324175995 912706814 /nfs/dbraw/zinc/70/68/14/912706814.db2.gz QWYCENJJDHMOPS-YNEHKIRRSA-N 2 2 292.383 0.740 20 0 CCADLP COCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001324175995 912706828 /nfs/dbraw/zinc/70/68/28/912706828.db2.gz QWYCENJJDHMOPS-YNEHKIRRSA-N 2 2 292.383 0.740 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[N@H+](C)CCCO ZINC001394079203 912979375 /nfs/dbraw/zinc/97/93/75/912979375.db2.gz MDDBMRGXXQPOAI-CHWSQXEVSA-N 2 2 294.399 0.264 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[N@@H+](C)CCCO ZINC001394079203 912979387 /nfs/dbraw/zinc/97/93/87/912979387.db2.gz MDDBMRGXXQPOAI-CHWSQXEVSA-N 2 2 294.399 0.264 20 0 CCADLP COCC[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001394280859 913112712 /nfs/dbraw/zinc/11/27/12/913112712.db2.gz GUZPOIVGXFNLCB-ZDUSSCGKSA-N 2 2 294.399 0.746 20 0 CCADLP COCC[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001394280859 913112721 /nfs/dbraw/zinc/11/27/21/913112721.db2.gz GUZPOIVGXFNLCB-ZDUSSCGKSA-N 2 2 294.399 0.746 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N(C)C[C@H](C)[NH2+]C[C@@H](C)O ZINC001394505798 913230073 /nfs/dbraw/zinc/23/00/73/913230073.db2.gz YROYFQFPXSGCJQ-NWDGAFQWSA-N 2 2 295.383 0.450 20 0 CCADLP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1csnn1 ZINC001394559814 913253688 /nfs/dbraw/zinc/25/36/88/913253688.db2.gz ODQBFOJPDHDNTM-NSHDSACASA-N 2 2 297.428 0.570 20 0 CCADLP COC(=O)c1cccc(C[NH2+]C[C@H]2C[NH2+]CCO2)c1 ZINC001325273169 913312599 /nfs/dbraw/zinc/31/25/99/913312599.db2.gz POUNBABGYZMSAL-CYBMUJFWSA-N 2 2 264.325 0.551 20 0 CCADLP CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001480863917 891412136 /nfs/dbraw/zinc/41/21/36/891412136.db2.gz HMMLAWIVHFMLNP-CHWSQXEVSA-N 2 2 298.431 0.042 20 0 CCADLP CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001480863917 891412149 /nfs/dbraw/zinc/41/21/49/891412149.db2.gz HMMLAWIVHFMLNP-CHWSQXEVSA-N 2 2 298.431 0.042 20 0 CCADLP CNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001480863917 891412164 /nfs/dbraw/zinc/41/21/64/891412164.db2.gz HMMLAWIVHFMLNP-CHWSQXEVSA-N 2 2 298.431 0.042 20 0 CCADLP CNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001480863917 891412170 /nfs/dbraw/zinc/41/21/70/891412170.db2.gz HMMLAWIVHFMLNP-CHWSQXEVSA-N 2 2 298.431 0.042 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)NCC[N@H+](C)CCF ZINC001480926253 891841637 /nfs/dbraw/zinc/84/16/37/891841637.db2.gz NJPLHNMQKZQVMI-UHFFFAOYSA-N 2 2 270.352 0.989 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)NCC[N@@H+](C)CCF ZINC001480926253 891841649 /nfs/dbraw/zinc/84/16/49/891841649.db2.gz NJPLHNMQKZQVMI-UHFFFAOYSA-N 2 2 270.352 0.989 20 0 CCADLP COCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001283629466 891968635 /nfs/dbraw/zinc/96/86/35/891968635.db2.gz JHZBXWAHGGRWNR-CHWSQXEVSA-N 2 2 294.399 0.528 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H](C[NH3+])C1 ZINC001353201299 892291974 /nfs/dbraw/zinc/29/19/74/892291974.db2.gz OVUSWXJNZRUKTO-IJLUTSLNSA-N 2 2 262.357 0.721 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CCC[NH2+]CC1 ZINC001342186271 892711139 /nfs/dbraw/zinc/71/11/39/892711139.db2.gz SZZITPUNFMQFEF-LBPRGKRZSA-N 2 2 250.346 0.779 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)Nc1cc2n(n1)CC[NH2+]C2 ZINC001342900148 892857407 /nfs/dbraw/zinc/85/74/07/892857407.db2.gz CCUNYNBUMCQEEJ-LLVKDONJSA-N 2 2 263.345 0.409 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)Nc1cc2n(n1)CC[NH2+]C2 ZINC001342900148 892857422 /nfs/dbraw/zinc/85/74/22/892857422.db2.gz CCUNYNBUMCQEEJ-LLVKDONJSA-N 2 2 263.345 0.409 20 0 CCADLP CC(C)C[NH2+]C[C@](C)(NC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001481921883 893265856 /nfs/dbraw/zinc/26/58/56/893265856.db2.gz JNWPMNZFRIZOPZ-ZBFHGGJFSA-N 2 2 297.443 0.848 20 0 CCADLP CC(C)C[NH2+]C[C@](C)(NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001481921883 893265875 /nfs/dbraw/zinc/26/58/75/893265875.db2.gz JNWPMNZFRIZOPZ-ZBFHGGJFSA-N 2 2 297.443 0.848 20 0 CCADLP O[C@H](C[NH2+]CCn1cc[nH+]c1)COC1CCOCC1 ZINC001326147916 913776956 /nfs/dbraw/zinc/77/69/56/913776956.db2.gz VKUVUKPCLHITMA-GFCCVEGCSA-N 2 2 269.345 0.029 20 0 CCADLP C[C@@H](C[NH2+]CCCO)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001482338715 893886567 /nfs/dbraw/zinc/88/65/67/893886567.db2.gz PDMIYBXYGJKUQQ-STQMWFEESA-N 2 2 282.388 0.653 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001482349300 893903282 /nfs/dbraw/zinc/90/32/82/893903282.db2.gz UCLHNOHVYYGUPV-MNOVXSKESA-N 2 2 268.361 0.424 20 0 CCADLP CC(C)C[NH2+]C[C@@H](O)CNC(=O)CCc1[nH+]ccn1C ZINC001482753114 894554015 /nfs/dbraw/zinc/55/40/15/894554015.db2.gz QLCFJTDOECBBFJ-GFCCVEGCSA-N 2 2 282.388 0.075 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccon1 ZINC001482992836 894782280 /nfs/dbraw/zinc/78/22/80/894782280.db2.gz ZPUPYAAHSYOCHF-XQJDBVBESA-N 2 2 278.356 0.531 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ccon1 ZINC001482992836 894782294 /nfs/dbraw/zinc/78/22/94/894782294.db2.gz ZPUPYAAHSYOCHF-XQJDBVBESA-N 2 2 278.356 0.531 20 0 CCADLP CC(C)[C@H](C(=O)NC/C=C\C[NH2+]Cc1cnon1)[NH+](C)C ZINC001483086640 894887913 /nfs/dbraw/zinc/88/79/13/894887913.db2.gz LHGVNDXNIQRNRF-CFHLNLSMSA-N 2 2 295.387 0.418 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cnon1 ZINC001483197517 895082123 /nfs/dbraw/zinc/08/21/23/895082123.db2.gz LRWKPWAPSMKXTG-YPMHNXCESA-N 2 2 295.387 0.538 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cnon1 ZINC001483197517 895082138 /nfs/dbraw/zinc/08/21/38/895082138.db2.gz LRWKPWAPSMKXTG-YPMHNXCESA-N 2 2 295.387 0.538 20 0 CCADLP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1cnns1 ZINC001409481234 895201039 /nfs/dbraw/zinc/20/10/39/895201039.db2.gz XJOCKXYGCQAIKS-UWVGGRQHSA-N 2 2 294.384 0.418 20 0 CCADLP CCC[NH+]1CC(CCO)(NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001409736067 895354983 /nfs/dbraw/zinc/35/49/83/895354983.db2.gz ZHYDPRGHCPESKJ-CYBMUJFWSA-N 2 2 283.416 0.434 20 0 CCADLP CCC[NH+]1CC(CCO)(NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001409736067 895354996 /nfs/dbraw/zinc/35/49/96/895354996.db2.gz ZHYDPRGHCPESKJ-CYBMUJFWSA-N 2 2 283.416 0.434 20 0 CCADLP CO[C@H](C)C[N@H+](C)C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001483347644 895485851 /nfs/dbraw/zinc/48/58/51/895485851.db2.gz XPHLIFXCEAKQOM-VXGBXAGGSA-N 2 2 282.388 0.814 20 0 CCADLP CO[C@H](C)C[N@@H+](C)C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001483347644 895485858 /nfs/dbraw/zinc/48/58/58/895485858.db2.gz XPHLIFXCEAKQOM-VXGBXAGGSA-N 2 2 282.388 0.814 20 0 CCADLP CO[C@H](C)C[N@H+](C)C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001483347644 895485863 /nfs/dbraw/zinc/48/58/63/895485863.db2.gz XPHLIFXCEAKQOM-VXGBXAGGSA-N 2 2 282.388 0.814 20 0 CCADLP CO[C@H](C)C[N@@H+](C)C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001483347644 895485868 /nfs/dbraw/zinc/48/58/68/895485868.db2.gz XPHLIFXCEAKQOM-VXGBXAGGSA-N 2 2 282.388 0.814 20 0 CCADLP COCCCC[NH+]1CC(N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001483885429 896094862 /nfs/dbraw/zinc/09/48/62/896094862.db2.gz LCCRMRPZHLCRAU-UHFFFAOYSA-N 2 2 294.399 0.532 20 0 CCADLP CC[NH+]1CCC(C)(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001483971032 896134797 /nfs/dbraw/zinc/13/47/97/896134797.db2.gz BJFNAVHBSYVDTD-UHFFFAOYSA-N 2 2 250.346 0.943 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001397094047 914038900 /nfs/dbraw/zinc/03/89/00/914038900.db2.gz QLWXLCRVNXILAE-MCIONIFRSA-N 2 2 294.399 0.529 20 0 CCADLP CC(C)C[N@@H+]1CC[C@](O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001484220765 896260742 /nfs/dbraw/zinc/26/07/42/896260742.db2.gz AXNMTHKUTDTDQS-HNNXBMFYSA-N 2 2 294.399 0.551 20 0 CCADLP CC(C)C[N@H+]1CC[C@](O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001484220765 896260754 /nfs/dbraw/zinc/26/07/54/896260754.db2.gz AXNMTHKUTDTDQS-HNNXBMFYSA-N 2 2 294.399 0.551 20 0 CCADLP CC(C)C[N@@H+]1CC[C@](O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001484220765 896260766 /nfs/dbraw/zinc/26/07/66/896260766.db2.gz AXNMTHKUTDTDQS-HNNXBMFYSA-N 2 2 294.399 0.551 20 0 CCADLP CC(C)C[N@H+]1CC[C@](O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001484220765 896260776 /nfs/dbraw/zinc/26/07/76/896260776.db2.gz AXNMTHKUTDTDQS-HNNXBMFYSA-N 2 2 294.399 0.551 20 0 CCADLP CC(C)=CC[NH+]1CC(O)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001484306958 896326494 /nfs/dbraw/zinc/32/64/94/896326494.db2.gz UFJBCWAZAKNJRE-UHFFFAOYSA-N 2 2 297.443 0.847 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CCO)C1 ZINC001484352773 896353289 /nfs/dbraw/zinc/35/32/89/896353289.db2.gz MKXIISXUHQGDNI-CMPLNLGQSA-N 2 2 280.372 0.080 20 0 CCADLP CC(=O)NCC[NH+]1CCC([NH2+]CC[C@H]2CCCO2)CC1 ZINC001484415916 896386881 /nfs/dbraw/zinc/38/68/81/896386881.db2.gz UVHUXXSEFXYFSL-OAHLLOKOSA-N 2 2 283.416 0.746 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001397144950 914065554 /nfs/dbraw/zinc/06/55/54/914065554.db2.gz MDDIVPWOTVMKPL-JHJVBQTASA-N 2 2 294.399 0.218 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001365801655 896473701 /nfs/dbraw/zinc/47/37/01/896473701.db2.gz JCUYWUMKLSDMHA-QWHCGFSZSA-N 2 2 280.372 0.451 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001365801655 896473717 /nfs/dbraw/zinc/47/37/17/896473717.db2.gz JCUYWUMKLSDMHA-QWHCGFSZSA-N 2 2 280.372 0.451 20 0 CCADLP C[N@H+](CC(=O)NC[C@@H]1COCC[NH+]1CC1CC1)C1CCC1 ZINC001484595011 896492622 /nfs/dbraw/zinc/49/26/22/896492622.db2.gz DIOSLWOOTNKNEQ-OAHLLOKOSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@@H+](CC(=O)NC[C@@H]1COCC[NH+]1CC1CC1)C1CCC1 ZINC001484595011 896492629 /nfs/dbraw/zinc/49/26/29/896492629.db2.gz DIOSLWOOTNKNEQ-OAHLLOKOSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+](CC(=O)NC[C@@H]1COCC[N@H+]1CC1CC1)C1CCC1 ZINC001484595011 896492644 /nfs/dbraw/zinc/49/26/44/896492644.db2.gz DIOSLWOOTNKNEQ-OAHLLOKOSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001485690614 897170939 /nfs/dbraw/zinc/17/09/39/897170939.db2.gz KGZIDGWVIGKLKQ-JHJVBQTASA-N 2 2 294.399 0.218 20 0 CCADLP C[C@@H](O)C[NH2+]CCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001485745977 897220824 /nfs/dbraw/zinc/22/08/24/897220824.db2.gz XBDYWMVWEPTZEB-WDEREUQCSA-N 2 2 268.361 0.208 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCC[NH2+]C[C@H](C)O ZINC001485747001 897225323 /nfs/dbraw/zinc/22/53/23/897225323.db2.gz RNVQXUKOJMQGGA-MNOVXSKESA-N 2 2 282.388 0.516 20 0 CCADLP COC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1[nH]cc[nH+]1 ZINC001032379866 897375846 /nfs/dbraw/zinc/37/58/46/897375846.db2.gz IKERJAMTBHGPTP-AVGNSLFASA-N 2 2 292.383 0.662 20 0 CCADLP COC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1[nH]cc[nH+]1 ZINC001032379866 897375866 /nfs/dbraw/zinc/37/58/66/897375866.db2.gz IKERJAMTBHGPTP-AVGNSLFASA-N 2 2 292.383 0.662 20 0 CCADLP CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1[nH+]ccn1C ZINC001032534941 897714529 /nfs/dbraw/zinc/71/45/29/897714529.db2.gz MAARFGXXADMISG-RYUDHWBXSA-N 2 2 262.357 0.658 20 0 CCADLP CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1[nH+]ccn1C ZINC001032534941 897714541 /nfs/dbraw/zinc/71/45/41/897714541.db2.gz MAARFGXXADMISG-RYUDHWBXSA-N 2 2 262.357 0.658 20 0 CCADLP CN(C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C1C[NH+](CCCO)C1 ZINC001043070128 897960393 /nfs/dbraw/zinc/96/03/93/897960393.db2.gz KPERNFODFZQINB-DZGCQCFKSA-N 2 2 295.427 0.528 20 0 CCADLP CN(C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C1C[NH+](CCCO)C1 ZINC001043070128 897960403 /nfs/dbraw/zinc/96/04/03/897960403.db2.gz KPERNFODFZQINB-DZGCQCFKSA-N 2 2 295.427 0.528 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCO1 ZINC001078415451 898367241 /nfs/dbraw/zinc/36/72/41/898367241.db2.gz ZXAMPKMEURUFKM-JHJVBQTASA-N 2 2 292.383 0.740 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCO1 ZINC001078415451 898367257 /nfs/dbraw/zinc/36/72/57/898367257.db2.gz ZXAMPKMEURUFKM-JHJVBQTASA-N 2 2 292.383 0.740 20 0 CCADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]Cc1cnn(C)c1 ZINC001485928198 898511217 /nfs/dbraw/zinc/51/12/17/898511217.db2.gz VNOHBDYDJWEEGZ-NSHDSACASA-N 2 2 290.371 0.322 20 0 CCADLP CCO[C@@H]1CN(C(=O)[C@H](C)n2cc[nH+]c2)C[C@H]1C[NH3+] ZINC001326908073 914262693 /nfs/dbraw/zinc/26/26/93/914262693.db2.gz VIONXPDLIVARPA-QJPTWQEYSA-N 2 2 266.345 0.266 20 0 CCADLP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccns1 ZINC001485961865 898562568 /nfs/dbraw/zinc/56/25/68/898562568.db2.gz HHNYERJRJZVRKZ-LLVKDONJSA-N 2 2 293.396 0.976 20 0 CCADLP C[C@H](O)C[N@H+]1CC=C(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001486516161 898919509 /nfs/dbraw/zinc/91/95/09/898919509.db2.gz AZJLVNQYLUXCEG-NSHDSACASA-N 2 2 278.356 0.081 20 0 CCADLP C[C@H](O)C[N@@H+]1CC=C(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001486516161 898919516 /nfs/dbraw/zinc/91/95/16/898919516.db2.gz AZJLVNQYLUXCEG-NSHDSACASA-N 2 2 278.356 0.081 20 0 CCADLP CO[C@H](C)C[NH2+]CCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001493600759 898933055 /nfs/dbraw/zinc/93/30/55/898933055.db2.gz KTKYZDXGCIPXIQ-OLZOCXBDSA-N 2 2 294.399 0.528 20 0 CCADLP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cnon2)C[C@@H]1C ZINC001410883912 899615585 /nfs/dbraw/zinc/61/55/85/899615585.db2.gz OGRGQWGAQDLBHS-RYUDHWBXSA-N 2 2 295.387 0.490 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2cnon2)C[C@@H]1C ZINC001410883912 899615590 /nfs/dbraw/zinc/61/55/90/899615590.db2.gz OGRGQWGAQDLBHS-RYUDHWBXSA-N 2 2 295.387 0.490 20 0 CCADLP CC[N@H+](CCO)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001440452902 899765394 /nfs/dbraw/zinc/76/53/94/899765394.db2.gz KHLXDJBTTNCUQX-ZDUSSCGKSA-N 2 2 280.372 0.257 20 0 CCADLP CC[N@@H+](CCO)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001440452902 899765405 /nfs/dbraw/zinc/76/54/05/899765405.db2.gz KHLXDJBTTNCUQX-ZDUSSCGKSA-N 2 2 280.372 0.257 20 0 CCADLP COCC[N@H+](C)C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001397810212 914385874 /nfs/dbraw/zinc/38/58/74/914385874.db2.gz GPXUOURIOJDNHC-ZDUSSCGKSA-N 2 2 294.399 0.912 20 0 CCADLP COCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001397810212 914385890 /nfs/dbraw/zinc/38/58/90/914385890.db2.gz GPXUOURIOJDNHC-ZDUSSCGKSA-N 2 2 294.399 0.912 20 0 CCADLP C[N@@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1ncccn1 ZINC001490280167 900587193 /nfs/dbraw/zinc/58/71/93/900587193.db2.gz VJHGZMYQTFLSJN-UHFFFAOYSA-N 2 2 291.399 0.511 20 0 CCADLP CO[C@H](C)C[NH2+]C/C=C/CNC(=O)Cn1cc[nH+]c1 ZINC001274632415 900936575 /nfs/dbraw/zinc/93/65/75/900936575.db2.gz UHKRTDIWLUNVIN-AAOUONPWSA-N 2 2 266.345 0.180 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NCc2coc(C[NH+](C)C)n2)C1 ZINC001412709033 901967808 /nfs/dbraw/zinc/96/78/08/901967808.db2.gz VQYOGLREQFFAHI-LLVKDONJSA-N 2 2 280.372 0.694 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NCc2coc(C[NH+](C)C)n2)C1 ZINC001412709033 901967815 /nfs/dbraw/zinc/96/78/15/901967815.db2.gz VQYOGLREQFFAHI-LLVKDONJSA-N 2 2 280.372 0.694 20 0 CCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC(=O)NC)C1 ZINC001398253323 914590008 /nfs/dbraw/zinc/59/00/08/914590008.db2.gz SMKQMXKLVDSZRJ-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC(=O)NC)C1 ZINC001398253323 914590020 /nfs/dbraw/zinc/59/00/20/914590020.db2.gz SMKQMXKLVDSZRJ-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC)C1 ZINC001398253323 914590033 /nfs/dbraw/zinc/59/00/33/914590033.db2.gz SMKQMXKLVDSZRJ-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC)C1 ZINC001398253323 914590047 /nfs/dbraw/zinc/59/00/47/914590047.db2.gz SMKQMXKLVDSZRJ-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP C[N@H+]1Cc2ccccc2[C@H]1CNc1nc(N)[nH+]c(N)n1 ZINC001412906435 902349312 /nfs/dbraw/zinc/34/93/12/902349312.db2.gz RSQUKYTWMLIEER-SNVBAGLBSA-N 2 2 271.328 0.635 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1CC[N@H+](CCCF)C1 ZINC001398334731 914625203 /nfs/dbraw/zinc/62/52/03/914625203.db2.gz DSJLTILVMCDIFQ-LBPRGKRZSA-N 2 2 282.363 0.903 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1CC[N@@H+](CCCF)C1 ZINC001398334731 914625211 /nfs/dbraw/zinc/62/52/11/914625211.db2.gz DSJLTILVMCDIFQ-LBPRGKRZSA-N 2 2 282.363 0.903 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC001413100400 902709348 /nfs/dbraw/zinc/70/93/48/902709348.db2.gz IEJSUZSLSZPPNU-ZDUSSCGKSA-N 2 2 294.399 0.497 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC001413100400 902709362 /nfs/dbraw/zinc/70/93/62/902709362.db2.gz IEJSUZSLSZPPNU-ZDUSSCGKSA-N 2 2 294.399 0.497 20 0 CCADLP C[NH+]1CCC(CC(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)CC1 ZINC001413430925 902949111 /nfs/dbraw/zinc/94/91/11/902949111.db2.gz YLNLCCURFTUAKU-ZDUSSCGKSA-N 2 2 280.372 0.161 20 0 CCADLP C[NH+]1CCC(CC(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)CC1 ZINC001413430925 902949117 /nfs/dbraw/zinc/94/91/17/902949117.db2.gz YLNLCCURFTUAKU-ZDUSSCGKSA-N 2 2 280.372 0.161 20 0 CCADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H]1CCN(C)C1=O ZINC001327665925 914689508 /nfs/dbraw/zinc/68/95/08/914689508.db2.gz ZQTPSVAZSDMCRK-LLVKDONJSA-N 2 2 299.334 0.993 20 0 CCADLP COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)C1([NH+](C)C)CCC1 ZINC001413667811 903158216 /nfs/dbraw/zinc/15/82/16/903158216.db2.gz FFABPFWBJJVZMV-LLVKDONJSA-N 2 2 294.355 0.094 20 0 CCADLP CC[C@H](C[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1)OC ZINC001398562237 914704742 /nfs/dbraw/zinc/70/47/42/914704742.db2.gz HRYFWMBKGUZKDF-YRGRVCCFSA-N 2 2 294.399 0.624 20 0 CCADLP c1c(CC[NH+]2CCOCC2)nnn1C1CC[NH2+]CC1 ZINC001327782599 914764941 /nfs/dbraw/zinc/76/49/41/914764941.db2.gz VKCCZRVUTVSCJI-UHFFFAOYSA-N 2 2 265.361 0.077 20 0 CCADLP [NH3+][C@H](C(=O)N1CC[NH+](CCO)CC1)C1CCCCC1 ZINC001332451054 904114966 /nfs/dbraw/zinc/11/49/66/904114966.db2.gz QHXDTMDYGBGQBX-ZDUSSCGKSA-N 2 2 269.389 0.031 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CCO[C@H](C[NH2+]CCF)C1 ZINC001280660478 904137019 /nfs/dbraw/zinc/13/70/19/904137019.db2.gz YYPOLVSHBBSJHL-CYBMUJFWSA-N 2 2 298.362 0.139 20 0 CCADLP CN(C[C@@H]1CC[N@@H+]1CC1CC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001316605386 904139030 /nfs/dbraw/zinc/13/90/30/904139030.db2.gz XBWZWCSQIQWECJ-ZDUSSCGKSA-N 2 2 262.357 0.895 20 0 CCADLP CN(C[C@@H]1CC[N@H+]1CC1CC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001316605386 904139041 /nfs/dbraw/zinc/13/90/41/904139041.db2.gz XBWZWCSQIQWECJ-ZDUSSCGKSA-N 2 2 262.357 0.895 20 0 CCADLP CC[C@H](C(=O)N[C@@H]1COC2(C[NH+](CC)C2)C1)[NH+](C)C ZINC001280943172 904179626 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C[C@H](O)C[N@@H+]1CC[C@@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001377463100 904909883 /nfs/dbraw/zinc/90/98/83/904909883.db2.gz RGHSEWKVVPOMDV-STQMWFEESA-N 2 2 294.399 0.172 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001377463100 904909901 /nfs/dbraw/zinc/90/99/01/904909901.db2.gz RGHSEWKVVPOMDV-STQMWFEESA-N 2 2 294.399 0.172 20 0 CCADLP CC[C@@H](C[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1)OC ZINC001377474079 904918685 /nfs/dbraw/zinc/91/86/85/904918685.db2.gz GKRGNQPOVZLWAO-KBPBESRZSA-N 2 2 294.399 0.746 20 0 CCADLP CC[C@@H](C[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1)OC ZINC001377474079 904918700 /nfs/dbraw/zinc/91/87/00/904918700.db2.gz GKRGNQPOVZLWAO-KBPBESRZSA-N 2 2 294.399 0.746 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]1C[N@@H+](C)C[C@H](C)O ZINC001377666792 905083943 /nfs/dbraw/zinc/08/39/43/905083943.db2.gz IFKXGNAECUMZHW-WCQYABFASA-N 2 2 294.399 0.564 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]1C[N@H+](C)C[C@H](C)O ZINC001377666792 905083964 /nfs/dbraw/zinc/08/39/64/905083964.db2.gz IFKXGNAECUMZHW-WCQYABFASA-N 2 2 294.399 0.564 20 0 CCADLP C[C@H]1CC[C@@H](C[NH+]2CC(NC(=O)C[N@H+](C)C3CCC3)C2)O1 ZINC001377890780 905217693 /nfs/dbraw/zinc/21/76/93/905217693.db2.gz JXGSWYVDWWIAOV-WFASDCNBSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@H]1CC[C@@H](C[NH+]2CC(NC(=O)C[N@@H+](C)C3CCC3)C2)O1 ZINC001377890780 905217710 /nfs/dbraw/zinc/21/77/10/905217710.db2.gz JXGSWYVDWWIAOV-WFASDCNBSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)CC1CCOCC1 ZINC001378162847 905467583 /nfs/dbraw/zinc/46/75/83/905467583.db2.gz JNKPBLNVAQZNTR-GFCCVEGCSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)CC1CCOCC1 ZINC001378162847 905467593 /nfs/dbraw/zinc/46/75/93/905467593.db2.gz JNKPBLNVAQZNTR-GFCCVEGCSA-N 2 2 294.399 0.815 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC1(CCO)C[NH+](C(C)C)C1 ZINC001378305189 905580103 /nfs/dbraw/zinc/58/01/03/905580103.db2.gz KRZLAPZCUAPIIT-CQSZACIVSA-N 2 2 297.443 0.822 20 0 CCADLP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cnon1 ZINC001378308798 905585014 /nfs/dbraw/zinc/58/50/14/905585014.db2.gz ZSHWDYSEKSNQJH-CMPLNLGQSA-N 2 2 281.360 0.148 20 0 CCADLP CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cnon1 ZINC001378308798 905585038 /nfs/dbraw/zinc/58/50/38/905585038.db2.gz ZSHWDYSEKSNQJH-CMPLNLGQSA-N 2 2 281.360 0.148 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1(CCO)C[NH+](C(C)C)C1 ZINC001378361366 905608659 /nfs/dbraw/zinc/60/86/59/905608659.db2.gz KZJUYQSWWNHOST-CQSZACIVSA-N 2 2 297.443 0.822 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC1(CCO)C[NH+](C(C)C)C1 ZINC001378361366 905608673 /nfs/dbraw/zinc/60/86/73/905608673.db2.gz KZJUYQSWWNHOST-CQSZACIVSA-N 2 2 297.443 0.822 20 0 CCADLP C[C@H](NC(=O)Cn1cc[nH+]c1)C1C[NH+](Cc2cccnc2)C1 ZINC001378598182 905703843 /nfs/dbraw/zinc/70/38/43/905703843.db2.gz XFZFKWHVPGHQQF-ZDUSSCGKSA-N 2 2 299.378 0.915 20 0 CCADLP C[N@H+](CCCO)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001378932391 905888487 /nfs/dbraw/zinc/88/84/87/905888487.db2.gz NXETXCKFELQUMP-UHFFFAOYSA-N 2 2 280.372 0.188 20 0 CCADLP C[N@@H+](CCCO)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001378932391 905888503 /nfs/dbraw/zinc/88/85/03/905888503.db2.gz NXETXCKFELQUMP-UHFFFAOYSA-N 2 2 280.372 0.188 20 0 CCADLP Cc1ncc(C[NH2+][C@H](C)CN(C)C(=O)Cc2c[nH+]c[nH]2)o1 ZINC001379246956 906087347 /nfs/dbraw/zinc/08/73/47/906087347.db2.gz ZVQVMICOQVOEMW-SNVBAGLBSA-N 2 2 291.355 0.885 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](O)C[NH2+]CC1CCCCC1 ZINC001379256844 906100186 /nfs/dbraw/zinc/10/01/86/906100186.db2.gz JPSAHIKKDUIRSJ-ZDUSSCGKSA-N 2 2 294.399 0.599 20 0 CCADLP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC000829178702 906162897 /nfs/dbraw/zinc/16/28/97/906162897.db2.gz CUFKRUKKDJLJTJ-ZFWWWQNUSA-N 3 2 268.449 0.552 20 0 CCADLP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC000829178702 906162910 /nfs/dbraw/zinc/16/29/10/906162910.db2.gz CUFKRUKKDJLJTJ-ZFWWWQNUSA-N 3 2 268.449 0.552 20 0 CCADLP COCC[N@H+]1[C@H](C)CN(c2cc[nH+]c(N)n2)C[C@@H]1C ZINC001337204113 921216468 /nfs/dbraw/zinc/21/64/68/921216468.db2.gz ZVFZTLUKSIJZLQ-PHIMTYICSA-N 2 2 265.361 0.604 20 0 CCADLP COCC[N@@H+]1[C@H](C)CN(c2cc[nH+]c(N)n2)C[C@@H]1C ZINC001337204113 921216474 /nfs/dbraw/zinc/21/64/74/921216474.db2.gz ZVFZTLUKSIJZLQ-PHIMTYICSA-N 2 2 265.361 0.604 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+]Cc1cscn1 ZINC001379473210 906271116 /nfs/dbraw/zinc/27/11/16/906271116.db2.gz ZJDHTPUYWBVRPX-SNVBAGLBSA-N 2 2 293.396 0.943 20 0 CCADLP C[C@@H]1[C@H](NC(=O)CCc2c[nH]c[nH+]2)CCC[N@@H+]1CCO ZINC001379648406 906406439 /nfs/dbraw/zinc/40/64/39/906406439.db2.gz OXKPOEFXDBTYEZ-DGCLKSJQSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H]1[C@H](NC(=O)CCc2c[nH]c[nH+]2)CCC[N@H+]1CCO ZINC001379648406 906406445 /nfs/dbraw/zinc/40/64/45/906406445.db2.gz OXKPOEFXDBTYEZ-DGCLKSJQSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H]1[C@H](NC(=O)CCc2c[nH+]c[nH]2)CCC[N@@H+]1CCO ZINC001379648406 906406449 /nfs/dbraw/zinc/40/64/49/906406449.db2.gz OXKPOEFXDBTYEZ-DGCLKSJQSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H]1[C@H](NC(=O)CCc2c[nH+]c[nH]2)CCC[N@H+]1CCO ZINC001379648406 906406458 /nfs/dbraw/zinc/40/64/58/906406458.db2.gz OXKPOEFXDBTYEZ-DGCLKSJQSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CCC[N@@H+]1CCO ZINC001379657464 906417682 /nfs/dbraw/zinc/41/76/82/906417682.db2.gz RHUOYWWMPKTCPB-KBPBESRZSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CCC[N@H+]1CCO ZINC001379657464 906417693 /nfs/dbraw/zinc/41/76/93/906417693.db2.gz RHUOYWWMPKTCPB-KBPBESRZSA-N 2 2 294.399 0.625 20 0 CCADLP CC(C)N(CC[N@H+](C)CCO)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001380042106 906602590 /nfs/dbraw/zinc/60/25/90/906602590.db2.gz JKZZYQWVENRSKH-AWEZNQCLSA-N 2 2 296.415 0.995 20 0 CCADLP CC(C)N(CC[N@@H+](C)CCO)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001380042106 906602602 /nfs/dbraw/zinc/60/26/02/906602602.db2.gz JKZZYQWVENRSKH-AWEZNQCLSA-N 2 2 296.415 0.995 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](CNc2cc(N)[nH+]cn2)C1 ZINC001337703182 921286781 /nfs/dbraw/zinc/28/67/81/921286781.db2.gz OGJXJGPDOOKBGS-LLVKDONJSA-N 2 2 265.361 0.828 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](CNc2cc(N)[nH+]cn2)C1 ZINC001337703182 921286786 /nfs/dbraw/zinc/28/67/86/921286786.db2.gz OGJXJGPDOOKBGS-LLVKDONJSA-N 2 2 265.361 0.828 20 0 CCADLP CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C[NH+]1CCCC1)O2 ZINC001381000803 907037999 /nfs/dbraw/zinc/03/79/99/907037999.db2.gz WBQDOSGVWMAVEN-ZDUSSCGKSA-N 2 2 281.400 0.452 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+](C)C)o1 ZINC001381419811 907197373 /nfs/dbraw/zinc/19/73/73/907197373.db2.gz LYJVYMBIBDEGFW-ZJUUUORDSA-N 2 2 283.376 0.313 20 0 CCADLP Cc1cc(C[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C)nn1C ZINC001381566540 907299602 /nfs/dbraw/zinc/29/96/02/907299602.db2.gz PCYFLDSDBGGGQK-ZDUSSCGKSA-N 2 2 295.431 0.617 20 0 CCADLP Cc1cc(C[N@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C)nn1C ZINC001381566540 907299615 /nfs/dbraw/zinc/29/96/15/907299615.db2.gz PCYFLDSDBGGGQK-ZDUSSCGKSA-N 2 2 295.431 0.617 20 0 CCADLP C[C@@H](CC(=O)N[C@H]1C[N@H+](CCO)CC1(C)C)n1cc[nH+]c1 ZINC001381871488 907436067 /nfs/dbraw/zinc/43/60/67/907436067.db2.gz JDZJSKUAJGORBG-STQMWFEESA-N 2 2 294.399 0.653 20 0 CCADLP C[C@@H](CC(=O)N[C@H]1C[N@@H+](CCO)CC1(C)C)n1cc[nH+]c1 ZINC001381871488 907436074 /nfs/dbraw/zinc/43/60/74/907436074.db2.gz JDZJSKUAJGORBG-STQMWFEESA-N 2 2 294.399 0.653 20 0 CCADLP COCC[NH2+][C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001491656692 907516082 /nfs/dbraw/zinc/51/60/82/907516082.db2.gz JJZQVJHZFMJMNE-LLVKDONJSA-N 2 2 268.361 0.093 20 0 CCADLP CC[C@@H](C[NH2+][C@H](C)CN(C)C(=O)Cn1cc[nH+]c1)OC ZINC001382166562 907580877 /nfs/dbraw/zinc/58/08/77/907580877.db2.gz WOYLCTJYEWLKRZ-OLZOCXBDSA-N 2 2 282.388 0.745 20 0 CCADLP COCC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001491837902 907600071 /nfs/dbraw/zinc/60/00/71/907600071.db2.gz MWNQVAQDFSRHGY-LLVKDONJSA-N 2 2 266.345 0.037 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@H](CO)[NH2+]C/C=C\Cl ZINC001382244754 907639643 /nfs/dbraw/zinc/63/96/43/907639643.db2.gz YPDPGSBRTHFOIB-NNRVYMOVSA-N 2 2 286.763 0.092 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC[C@H]1CCC[N@H+]1CCO ZINC001492171053 907724861 /nfs/dbraw/zinc/72/48/61/907724861.db2.gz KFXUUAVOGMQSED-LBPRGKRZSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC[C@H]1CCC[N@@H+]1CCO ZINC001492171053 907724877 /nfs/dbraw/zinc/72/48/77/907724877.db2.gz KFXUUAVOGMQSED-LBPRGKRZSA-N 2 2 280.372 0.305 20 0 CCADLP CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001492369655 907878101 /nfs/dbraw/zinc/87/81/01/907878101.db2.gz LVUFEMOMACVJKD-GFCCVEGCSA-N 2 2 298.431 0.043 20 0 CCADLP CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001492369655 907878109 /nfs/dbraw/zinc/87/81/09/907878109.db2.gz LVUFEMOMACVJKD-GFCCVEGCSA-N 2 2 298.431 0.043 20 0 CCADLP COCCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001317249857 907997883 /nfs/dbraw/zinc/99/78/83/907997883.db2.gz BGBVDFQNFDOBQO-QWHCGFSZSA-N 2 2 294.399 0.576 20 0 CCADLP CC(C)[C@H](CO)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC001308988689 908450143 /nfs/dbraw/zinc/45/01/43/908450143.db2.gz UPPQGZIUAZSTQD-KBPBESRZSA-N 2 2 256.390 0.846 20 0 CCADLP COC[C@@H](C)[N@H+](C)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001316858184 908462257 /nfs/dbraw/zinc/46/22/57/908462257.db2.gz FJQUQFOJCZIBHT-LLVKDONJSA-N 2 2 268.361 0.425 20 0 CCADLP COC[C@@H](C)[N@@H+](C)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001316858184 908462263 /nfs/dbraw/zinc/46/22/63/908462263.db2.gz FJQUQFOJCZIBHT-LLVKDONJSA-N 2 2 268.361 0.425 20 0 CCADLP Cc1nnc(C[N@H+](C)CCCNC(=O)[C@H]2CC[NH+](C)C2)o1 ZINC001316865964 908572974 /nfs/dbraw/zinc/57/29/74/908572974.db2.gz SVJSLCPYZOWPTI-LBPRGKRZSA-N 2 2 295.387 0.268 20 0 CCADLP Cc1nnc(C[N@@H+](C)CCCNC(=O)[C@H]2CC[NH+](C)C2)o1 ZINC001316865964 908572987 /nfs/dbraw/zinc/57/29/87/908572987.db2.gz SVJSLCPYZOWPTI-LBPRGKRZSA-N 2 2 295.387 0.268 20 0 CCADLP Cc1nnc(C[NH+](C)CCCNC(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001316865964 908572998 /nfs/dbraw/zinc/57/29/98/908572998.db2.gz SVJSLCPYZOWPTI-LBPRGKRZSA-N 2 2 295.387 0.268 20 0 CCADLP Cc1nnc(C[NH+](C)CCCNC(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001316865964 908573010 /nfs/dbraw/zinc/57/30/10/908573010.db2.gz SVJSLCPYZOWPTI-LBPRGKRZSA-N 2 2 295.387 0.268 20 0 CCADLP C[C@H]([NH3+])CONC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC001341402163 908591398 /nfs/dbraw/zinc/59/13/98/908591398.db2.gz GMBVPZLIZURACN-YUMQZZPRSA-N 2 2 280.250 0.772 20 0 CCADLP C[C@@H]([NH3+])CONC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC001341402131 908592922 /nfs/dbraw/zinc/59/29/22/908592922.db2.gz GMBVPZLIZURACN-SFYZADRCSA-N 2 2 280.250 0.772 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[C@H]([NH2+]CCCO)C1 ZINC001317362638 909156837 /nfs/dbraw/zinc/15/68/37/909156837.db2.gz GLVJLYWRQJXHBZ-QWHCGFSZSA-N 2 2 294.399 0.660 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+]CC1CCOCC1 ZINC001317656467 909451419 /nfs/dbraw/zinc/45/14/19/909451419.db2.gz IQTUMQNRFXIOKS-UHFFFAOYSA-N 2 2 294.399 0.735 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCc1[nH+]ccn1C ZINC001388641792 909524791 /nfs/dbraw/zinc/52/47/91/909524791.db2.gz SIWMOSDGEQUXBK-STQMWFEESA-N 2 2 294.399 0.266 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)CCc1[nH+]ccn1C ZINC001388641792 909524806 /nfs/dbraw/zinc/52/48/06/909524806.db2.gz SIWMOSDGEQUXBK-STQMWFEESA-N 2 2 294.399 0.266 20 0 CCADLP C[C@H](CC(=O)N(C)C[C@H]1CC[N@@H+]1CCO)n1cc[nH+]c1 ZINC001388654109 909533751 /nfs/dbraw/zinc/53/37/51/909533751.db2.gz XWZMKMOSGZNYDR-CHWSQXEVSA-N 2 2 280.372 0.359 20 0 CCADLP C[C@H](CC(=O)N(C)C[C@H]1CC[N@H+]1CCO)n1cc[nH+]c1 ZINC001388654109 909533765 /nfs/dbraw/zinc/53/37/65/909533765.db2.gz XWZMKMOSGZNYDR-CHWSQXEVSA-N 2 2 280.372 0.359 20 0 CCADLP CSCCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001338536059 921503739 /nfs/dbraw/zinc/50/37/39/921503739.db2.gz XFDNKHVGJKEPLQ-UHFFFAOYSA-N 2 2 274.434 0.462 20 0 CCADLP CCOCC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001318446540 909761005 /nfs/dbraw/zinc/76/10/05/909761005.db2.gz RXNNPUIIOHELAE-CYBMUJFWSA-N 2 2 294.399 0.830 20 0 CCADLP CCOCC[N@H+]1CC[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001318446540 909761018 /nfs/dbraw/zinc/76/10/18/909761018.db2.gz RXNNPUIIOHELAE-CYBMUJFWSA-N 2 2 294.399 0.830 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+](CCF)C1 ZINC001318446412 909761928 /nfs/dbraw/zinc/76/19/28/909761928.db2.gz VMIJMVYSTOYRGY-LBPRGKRZSA-N 2 2 259.369 0.829 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N(C)[C@H]1CC[NH+](CCF)C1 ZINC001318446412 909761935 /nfs/dbraw/zinc/76/19/35/909761935.db2.gz VMIJMVYSTOYRGY-LBPRGKRZSA-N 2 2 259.369 0.829 20 0 CCADLP CC(C)[NH+](C)CC(=O)N(C)[C@H]1CC[N@H+](CCF)C1 ZINC001318446412 909761943 /nfs/dbraw/zinc/76/19/43/909761943.db2.gz VMIJMVYSTOYRGY-LBPRGKRZSA-N 2 2 259.369 0.829 20 0 CCADLP CC(C)[NH+](C)CC(=O)N(C)[C@H]1CC[N@@H+](CCF)C1 ZINC001318446412 909761952 /nfs/dbraw/zinc/76/19/52/909761952.db2.gz VMIJMVYSTOYRGY-LBPRGKRZSA-N 2 2 259.369 0.829 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001389972536 910169151 /nfs/dbraw/zinc/16/91/51/910169151.db2.gz CYMZMKSNEWNPKB-WCFLWFBJSA-N 2 2 280.372 0.614 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001389972536 910169159 /nfs/dbraw/zinc/16/91/59/910169159.db2.gz CYMZMKSNEWNPKB-WCFLWFBJSA-N 2 2 280.372 0.614 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCC[N@@H+](C[C@@H](C)O)C1 ZINC001390062944 910215942 /nfs/dbraw/zinc/21/59/42/910215942.db2.gz MQAMGFQAVUJKMV-YPMHNXCESA-N 2 2 294.399 0.470 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCC[N@H+](C[C@@H](C)O)C1 ZINC001390062944 910215955 /nfs/dbraw/zinc/21/59/55/910215955.db2.gz MQAMGFQAVUJKMV-YPMHNXCESA-N 2 2 294.399 0.470 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001319690658 910260879 /nfs/dbraw/zinc/26/08/79/910260879.db2.gz JWSLHTRGLVFPAY-JSGCOSHPSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001319690658 910260894 /nfs/dbraw/zinc/26/08/94/910260894.db2.gz JWSLHTRGLVFPAY-JSGCOSHPSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C)n1cc[nH+]c1 ZINC001319744433 910278585 /nfs/dbraw/zinc/27/85/85/910278585.db2.gz VDUYOWOLSHBTTE-IJLUTSLNSA-N 2 2 250.346 0.995 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C)n1cc[nH+]c1 ZINC001319744433 910278599 /nfs/dbraw/zinc/27/85/99/910278599.db2.gz VDUYOWOLSHBTTE-IJLUTSLNSA-N 2 2 250.346 0.995 20 0 CCADLP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]Cc1cnon1 ZINC001390444298 910423052 /nfs/dbraw/zinc/42/30/52/910423052.db2.gz VLZRQCCNRAZSII-LLVKDONJSA-N 2 2 293.371 0.292 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]C[C@H]1CCCOC1 ZINC001390496583 910469515 /nfs/dbraw/zinc/46/95/15/910469515.db2.gz TXQSTOCPTJZBRA-NWDGAFQWSA-N 2 2 280.372 0.473 20 0 CCADLP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1nncs1)[NH+](C)C ZINC001390511327 910483318 /nfs/dbraw/zinc/48/33/18/910483318.db2.gz UPGQAVNBWRCSKS-PWSUYJOCSA-N 2 2 299.444 0.719 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+][C@H](C)CNC(=O)C[N@H+](C)C(C)C)[nH]1 ZINC001390537948 910502800 /nfs/dbraw/zinc/50/28/00/910502800.db2.gz YPUJGLWRIZQKLM-GHMZBOCLSA-N 2 2 296.419 0.609 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+][C@H](C)CNC(=O)C[N@@H+](C)C(C)C)[nH]1 ZINC001390537948 910502816 /nfs/dbraw/zinc/50/28/16/910502816.db2.gz YPUJGLWRIZQKLM-GHMZBOCLSA-N 2 2 296.419 0.609 20 0 CCADLP C[N@H+](CCCO)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001390634912 910556380 /nfs/dbraw/zinc/55/63/80/910556380.db2.gz GCYKKCOARBQZDJ-ZDUSSCGKSA-N 2 2 280.372 0.188 20 0 CCADLP C[N@@H+](CCCO)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001390634912 910556389 /nfs/dbraw/zinc/55/63/89/910556389.db2.gz GCYKKCOARBQZDJ-ZDUSSCGKSA-N 2 2 280.372 0.188 20 0 CCADLP C[C@H](CCNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1cnon1 ZINC001390686581 910589728 /nfs/dbraw/zinc/58/97/28/910589728.db2.gz ALSFVJITMKYMTK-LLVKDONJSA-N 2 2 292.343 0.341 20 0 CCADLP C[C@H]1CC[C@@H](C[N@H+](C)CCNC(=O)Cc2c[nH]c[nH+]2)O1 ZINC001390825822 910711456 /nfs/dbraw/zinc/71/14/56/910711456.db2.gz VFTRXKMQNKQGHF-AAEUAGOBSA-N 2 2 280.372 0.568 20 0 CCADLP C[C@H]1CC[C@@H](C[N@@H+](C)CCNC(=O)Cc2c[nH]c[nH+]2)O1 ZINC001390825822 910711467 /nfs/dbraw/zinc/71/14/67/910711467.db2.gz VFTRXKMQNKQGHF-AAEUAGOBSA-N 2 2 280.372 0.568 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC001391066523 910842640 /nfs/dbraw/zinc/84/26/40/910842640.db2.gz JUOHQDVHSZCQPN-AWEZNQCLSA-N 2 2 294.399 0.316 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC001391066523 910842653 /nfs/dbraw/zinc/84/26/53/910842653.db2.gz JUOHQDVHSZCQPN-AWEZNQCLSA-N 2 2 294.399 0.316 20 0 CCADLP CN(C(=O)CCCn1cc[nH+]c1)[C@@H]1CC[N@H+](CCCO)C1 ZINC001391641684 911286857 /nfs/dbraw/zinc/28/68/57/911286857.db2.gz ZAKLZDCMRIYTPY-CQSZACIVSA-N 2 2 294.399 0.578 20 0 CCADLP CN(C(=O)CCCn1cc[nH+]c1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001391641684 911286871 /nfs/dbraw/zinc/28/68/71/911286871.db2.gz ZAKLZDCMRIYTPY-CQSZACIVSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H](C)[N@H+]1CCO ZINC001417869767 921655011 /nfs/dbraw/zinc/65/50/11/921655011.db2.gz YIHSKZDKVICMRQ-TXEJJXNPSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H](C)[N@@H+]1CCO ZINC001417869767 921655014 /nfs/dbraw/zinc/65/50/14/921655014.db2.gz YIHSKZDKVICMRQ-TXEJJXNPSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H](C[NH2+]C/C=C\Cl)NC(=O)Cc1[nH]cc[nH+]1 ZINC001322033282 911628353 /nfs/dbraw/zinc/62/83/53/911628353.db2.gz SKHLJCFUTYAWKE-XADBCAIWSA-N 2 2 256.737 0.799 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001392244071 911657499 /nfs/dbraw/zinc/65/74/99/911657499.db2.gz QVVBMLCLKKOGAC-NEPJUHHUSA-N 2 2 282.388 0.718 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC001392523390 911889010 /nfs/dbraw/zinc/88/90/10/911889010.db2.gz CNEGGOCONLYPNG-MNOVXSKESA-N 2 2 296.419 0.610 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC001392523390 911889017 /nfs/dbraw/zinc/88/90/17/911889017.db2.gz CNEGGOCONLYPNG-MNOVXSKESA-N 2 2 296.419 0.610 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC001322677670 911907775 /nfs/dbraw/zinc/90/77/75/911907775.db2.gz KPIKRKYQAOTPRC-VXGBXAGGSA-N 2 2 250.346 0.997 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@@H](C)n2cc[nH+]c2)[C@H](C)C1 ZINC001322677670 911907787 /nfs/dbraw/zinc/90/77/87/911907787.db2.gz KPIKRKYQAOTPRC-VXGBXAGGSA-N 2 2 250.346 0.997 20 0 CCADLP CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)c1nnc(C)o1)[NH+](C)C ZINC001392597883 911971292 /nfs/dbraw/zinc/97/12/92/911971292.db2.gz UHMZERSAWQQSLW-UMNHJUIQSA-N 2 2 297.403 0.874 20 0 CCADLP CO[C@@H](C)C[N@H+](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001392724489 912114725 /nfs/dbraw/zinc/11/47/25/912114725.db2.gz OLIIIMCWBRUVGO-NEPJUHHUSA-N 2 2 282.388 0.434 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001392724489 912114733 /nfs/dbraw/zinc/11/47/33/912114733.db2.gz OLIIIMCWBRUVGO-NEPJUHHUSA-N 2 2 282.388 0.434 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C[NH2+]C[C@@H](C)O)C1CC1 ZINC001392805414 912157798 /nfs/dbraw/zinc/15/77/98/912157798.db2.gz PGHBAJDNYBJUII-NOZJJQNGSA-N 2 2 280.372 0.126 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]CC1CC1 ZINC001398975266 914978298 /nfs/dbraw/zinc/97/82/98/914978298.db2.gz XMFIVZPTCHCQJD-YPMHNXCESA-N 2 2 276.384 0.950 20 0 CCADLP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1cnsn1 ZINC001399011894 914996699 /nfs/dbraw/zinc/99/66/99/914996699.db2.gz BXOFRNCYLQQWST-WDEREUQCSA-N 2 2 297.428 0.474 20 0 CCADLP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1cnsn1 ZINC001399011894 914996711 /nfs/dbraw/zinc/99/67/11/914996711.db2.gz BXOFRNCYLQQWST-WDEREUQCSA-N 2 2 297.428 0.474 20 0 CCADLP Cc1ccncc1C[NH2+][C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001399028092 915004813 /nfs/dbraw/zinc/00/48/13/915004813.db2.gz LIXNTDIOOLZMKS-GFCCVEGCSA-N 2 2 287.367 0.950 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC001328399591 915168278 /nfs/dbraw/zinc/16/82/78/915168278.db2.gz HTAMMXMTBBAHBT-CDWSIMAYSA-N 2 2 291.355 0.382 20 0 CCADLP C[N@H+](CCCO)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001399528995 915217032 /nfs/dbraw/zinc/21/70/32/915217032.db2.gz WMVMJZZQSPMNEF-UHFFFAOYSA-N 2 2 276.340 0.378 20 0 CCADLP C[N@@H+](CCCO)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001399528995 915217047 /nfs/dbraw/zinc/21/70/47/915217047.db2.gz WMVMJZZQSPMNEF-UHFFFAOYSA-N 2 2 276.340 0.378 20 0 CCADLP C[C@@H](O)C[NH2+][C@H](CNC(=O)CCc1c[nH+]cn1C)C1CC1 ZINC001418008249 921756623 /nfs/dbraw/zinc/75/66/23/921756623.db2.gz WDCMRYPEUMSXOW-BXUZGUMPSA-N 2 2 294.399 0.218 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@H+](C)Cc1cncn1C)[NH+](C)C ZINC001399632370 915281406 /nfs/dbraw/zinc/28/14/06/915281406.db2.gz ATRRQDZJGYZINC-CQSZACIVSA-N 2 2 295.431 0.554 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@@H+](C)Cc1cncn1C)[NH+](C)C ZINC001399632370 915281418 /nfs/dbraw/zinc/28/14/18/915281418.db2.gz ATRRQDZJGYZINC-CQSZACIVSA-N 2 2 295.431 0.554 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@@H+](C)C[C@H]1CCCOC1 ZINC001399646670 915292393 /nfs/dbraw/zinc/29/23/93/915292393.db2.gz JBPSTLJKJBNQCM-CYBMUJFWSA-N 2 2 294.399 0.735 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@H+](C)C[C@H]1CCCOC1 ZINC001399646670 915292409 /nfs/dbraw/zinc/29/24/09/915292409.db2.gz JBPSTLJKJBNQCM-CYBMUJFWSA-N 2 2 294.399 0.735 20 0 CCADLP COc1cc(C[N@H+](C)CCNC(=O)[C@H]2CC[NH+](C)C2)on1 ZINC001399660024 915303138 /nfs/dbraw/zinc/30/31/38/915303138.db2.gz YEVAMIYZKWGEPK-NSHDSACASA-N 2 2 296.371 0.183 20 0 CCADLP COc1cc(C[N@@H+](C)CCNC(=O)[C@H]2CC[NH+](C)C2)on1 ZINC001399660024 915303160 /nfs/dbraw/zinc/30/31/60/915303160.db2.gz YEVAMIYZKWGEPK-NSHDSACASA-N 2 2 296.371 0.183 20 0 CCADLP COc1cc(C[NH+](C)CCNC(=O)[C@H]2CC[N@H+](C)C2)on1 ZINC001399660024 915303182 /nfs/dbraw/zinc/30/31/82/915303182.db2.gz YEVAMIYZKWGEPK-NSHDSACASA-N 2 2 296.371 0.183 20 0 CCADLP COc1cc(C[NH+](C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)on1 ZINC001399660024 915303203 /nfs/dbraw/zinc/30/32/03/915303203.db2.gz YEVAMIYZKWGEPK-NSHDSACASA-N 2 2 296.371 0.183 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001328645846 915329921 /nfs/dbraw/zinc/32/99/21/915329921.db2.gz BTRGTSAGSQIOAJ-WOPDTQHZSA-N 2 2 262.357 0.784 20 0 CCADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)C[C@@H]1CCCOC1 ZINC001399805899 915387773 /nfs/dbraw/zinc/38/77/73/915387773.db2.gz DRVNQJRZXXPONF-AWEZNQCLSA-N 2 2 294.399 0.748 20 0 CCADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)C[C@@H]1CCCOC1 ZINC001399805899 915387792 /nfs/dbraw/zinc/38/77/92/915387792.db2.gz DRVNQJRZXXPONF-AWEZNQCLSA-N 2 2 294.399 0.748 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001399946142 915464128 /nfs/dbraw/zinc/46/41/28/915464128.db2.gz OBQYZWKMHOZVLD-AAEUAGOBSA-N 2 2 294.399 0.734 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001399946142 915464145 /nfs/dbraw/zinc/46/41/45/915464145.db2.gz OBQYZWKMHOZVLD-AAEUAGOBSA-N 2 2 294.399 0.734 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC[C@@H]1CC[N@@H+](CCO)C1 ZINC001400151749 915591618 /nfs/dbraw/zinc/59/16/18/915591618.db2.gz QRANOZQUUSIXQU-GFCCVEGCSA-N 2 2 280.372 0.163 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC[C@@H]1CC[N@H+](CCO)C1 ZINC001400151749 915591627 /nfs/dbraw/zinc/59/16/27/915591627.db2.gz QRANOZQUUSIXQU-GFCCVEGCSA-N 2 2 280.372 0.163 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC[C@@H]1CC[N@@H+](CCO)C1 ZINC001400151749 915591638 /nfs/dbraw/zinc/59/16/38/915591638.db2.gz QRANOZQUUSIXQU-GFCCVEGCSA-N 2 2 280.372 0.163 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC[C@@H]1CC[N@H+](CCO)C1 ZINC001400151749 915591651 /nfs/dbraw/zinc/59/16/51/915591651.db2.gz QRANOZQUUSIXQU-GFCCVEGCSA-N 2 2 280.372 0.163 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001400274137 915654854 /nfs/dbraw/zinc/65/48/54/915654854.db2.gz CYJFXLKXCCNJHA-CYBMUJFWSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC001400274137 915654858 /nfs/dbraw/zinc/65/48/58/915654858.db2.gz CYJFXLKXCCNJHA-CYBMUJFWSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001400274137 915654864 /nfs/dbraw/zinc/65/48/64/915654864.db2.gz CYJFXLKXCCNJHA-CYBMUJFWSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC001400274137 915654867 /nfs/dbraw/zinc/65/48/67/915654867.db2.gz CYJFXLKXCCNJHA-CYBMUJFWSA-N 2 2 280.372 0.305 20 0 CCADLP C[NH+](C)C1(C(=O)NC2C[NH+](CCOC3CCC3)C2)CCC1 ZINC001400348704 915693197 /nfs/dbraw/zinc/69/31/97/915693197.db2.gz RFANTTUGXAUQHS-UHFFFAOYSA-N 2 2 295.427 0.840 20 0 CCADLP CCN(C(=O)Cc1[nH]c[nH+]c1C)[C@@H]1CC[N@H+](CCO)C1 ZINC001400766019 915914307 /nfs/dbraw/zinc/91/43/07/915914307.db2.gz XSQGIXAAXPTSNS-GFCCVEGCSA-N 2 2 280.372 0.176 20 0 CCADLP CCN(C(=O)Cc1[nH]c[nH+]c1C)[C@@H]1CC[N@@H+](CCO)C1 ZINC001400766019 915914323 /nfs/dbraw/zinc/91/43/23/915914323.db2.gz XSQGIXAAXPTSNS-GFCCVEGCSA-N 2 2 280.372 0.176 20 0 CCADLP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1csnn1 ZINC001400831626 915949377 /nfs/dbraw/zinc/94/93/77/915949377.db2.gz NTQUGAHKGQEURH-ZYHUDNBSSA-N 2 2 297.428 0.617 20 0 CCADLP CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1csnn1 ZINC001400831626 915949393 /nfs/dbraw/zinc/94/93/93/915949393.db2.gz NTQUGAHKGQEURH-ZYHUDNBSSA-N 2 2 297.428 0.617 20 0 CCADLP CC[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)CC[C@H]1[NH3+] ZINC001329499930 915966157 /nfs/dbraw/zinc/96/61/57/915966157.db2.gz WUXMQQBSBGMOAM-IJLUTSLNSA-N 2 2 260.403 0.480 20 0 CCADLP CC[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)CC[C@H]1[NH3+] ZINC001329499930 915966164 /nfs/dbraw/zinc/96/61/64/915966164.db2.gz WUXMQQBSBGMOAM-IJLUTSLNSA-N 2 2 260.403 0.480 20 0 CCADLP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nc(C)no1 ZINC001400903052 915980661 /nfs/dbraw/zinc/98/06/61/915980661.db2.gz UGPNMDYDEMQLCU-VXGBXAGGSA-N 2 2 295.387 0.314 20 0 CCADLP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1nc(C)no1 ZINC001400903052 915980680 /nfs/dbraw/zinc/98/06/80/915980680.db2.gz UGPNMDYDEMQLCU-VXGBXAGGSA-N 2 2 295.387 0.314 20 0 CCADLP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C[NH2+]CC(N)=O ZINC001401136787 916062162 /nfs/dbraw/zinc/06/21/62/916062162.db2.gz OVOGESAMLBJBQK-VIFPVBQESA-N 2 2 289.339 0.004 20 0 CCADLP COCCC[NH+]1CC([C@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001330029335 916364976 /nfs/dbraw/zinc/36/49/76/916364976.db2.gz AKYYKWQLUPTRBL-ZDUSSCGKSA-N 2 2 294.399 0.746 20 0 CCADLP Cc1noc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)n1 ZINC001401627172 916403894 /nfs/dbraw/zinc/40/38/94/916403894.db2.gz IZSMFAZCTOUJOT-MFKMUULPSA-N 2 2 297.403 0.559 20 0 CCADLP CCc1nnc(C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)o1 ZINC001401698801 916488054 /nfs/dbraw/zinc/48/80/54/916488054.db2.gz JIXWXPHDRQHYLR-JTQLQIEISA-N 2 2 283.376 0.178 20 0 CCADLP C[C@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001402656596 917161531 /nfs/dbraw/zinc/16/15/31/917161531.db2.gz IJZSZFPPTGDRKC-KBPBESRZSA-N 2 2 294.399 0.482 20 0 CCADLP C[C@H](O)C[N@H+]1CCC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001402656596 917161540 /nfs/dbraw/zinc/16/15/40/917161540.db2.gz IJZSZFPPTGDRKC-KBPBESRZSA-N 2 2 294.399 0.482 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCC[N@H+](CCCO)C1 ZINC001402696173 917176175 /nfs/dbraw/zinc/17/61/75/917176175.db2.gz QKDUUPMGZRFZNU-ZDUSSCGKSA-N 2 2 294.399 0.173 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001402696173 917176188 /nfs/dbraw/zinc/17/61/88/917176188.db2.gz QKDUUPMGZRFZNU-ZDUSSCGKSA-N 2 2 294.399 0.173 20 0 CCADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@@H](C[NH2+]CCO)C1CC1 ZINC001331348270 917277643 /nfs/dbraw/zinc/27/76/43/917277643.db2.gz RAMDOITVKXZSBM-LBPRGKRZSA-N 2 2 294.399 0.506 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001331470543 917354318 /nfs/dbraw/zinc/35/43/18/917354318.db2.gz PRKHKYKFFMWJBC-WDEREUQCSA-N 2 2 268.361 0.160 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001331470543 917354328 /nfs/dbraw/zinc/35/43/28/917354328.db2.gz PRKHKYKFFMWJBC-WDEREUQCSA-N 2 2 268.361 0.160 20 0 CCADLP CCc1noc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001403009643 917417399 /nfs/dbraw/zinc/41/73/99/917417399.db2.gz SLIQZDNTMOXTCN-WDEREUQCSA-N 2 2 295.387 0.321 20 0 CCADLP CCc1noc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001403009643 917417404 /nfs/dbraw/zinc/41/74/04/917417404.db2.gz SLIQZDNTMOXTCN-WDEREUQCSA-N 2 2 295.387 0.321 20 0 CCADLP CCc1cnc(C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C)o1 ZINC001403045280 917445154 /nfs/dbraw/zinc/44/51/54/917445154.db2.gz LBOZPSZEZACDHH-LLVKDONJSA-N 2 2 282.388 0.783 20 0 CCADLP CCc1noc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001403134760 917516531 /nfs/dbraw/zinc/51/65/31/917516531.db2.gz JFTUCGMYZAISQM-WDEREUQCSA-N 2 2 295.387 0.178 20 0 CCADLP CCc1noc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001403134760 917516538 /nfs/dbraw/zinc/51/65/38/917516538.db2.gz JFTUCGMYZAISQM-WDEREUQCSA-N 2 2 295.387 0.178 20 0 CCADLP C[C@@H](CNC(=O)CCC[NH+]1CCCC1)[NH2+]Cc1cnon1 ZINC001403156845 917539228 /nfs/dbraw/zinc/53/92/28/917539228.db2.gz FLJQPMXAYFHYNW-LBPRGKRZSA-N 2 2 295.387 0.540 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[N@H+](C)C[C@@H]1CCOC1 ZINC001403180818 917564242 /nfs/dbraw/zinc/56/42/42/917564242.db2.gz IMCZCNFLTRYPFB-OLZOCXBDSA-N 2 2 294.399 0.436 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[N@@H+](C)C[C@@H]1CCOC1 ZINC001403180818 917564249 /nfs/dbraw/zinc/56/42/49/917564249.db2.gz IMCZCNFLTRYPFB-OLZOCXBDSA-N 2 2 294.399 0.436 20 0 CCADLP C[C@H](NC(=O)Cn1cc[nH+]c1)C1C[NH+](Cc2ccccn2)C1 ZINC001403344118 917664027 /nfs/dbraw/zinc/66/40/27/917664027.db2.gz FOULFGVGCIWETA-ZDUSSCGKSA-N 2 2 299.378 0.915 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[N@H+](CCO)CC1(C)C ZINC001403377654 917686262 /nfs/dbraw/zinc/68/62/62/917686262.db2.gz RWSXAXGMTIVLSK-AAEUAGOBSA-N 2 2 294.399 0.407 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[N@@H+](CCO)CC1(C)C ZINC001403377654 917686270 /nfs/dbraw/zinc/68/62/70/917686270.db2.gz RWSXAXGMTIVLSK-AAEUAGOBSA-N 2 2 294.399 0.407 20 0 CCADLP C[C@@H](CC(=O)NC[C@H](CO)[NH2+]CC1CCC1)n1cc[nH+]c1 ZINC001403698542 917936789 /nfs/dbraw/zinc/93/67/89/917936789.db2.gz HQLRJIZSURQREA-GXTWGEPZSA-N 2 2 294.399 0.701 20 0 CCADLP Cc1ncc(C[N@H+](C)CCNC(=O)Cn2cc[nH+]c2C)o1 ZINC001403761339 917993890 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C[C@@H](O)C[N@H+](CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC001404261063 918259667 /nfs/dbraw/zinc/25/96/67/918259667.db2.gz CJOKEXAIAKVIRX-NWDGAFQWSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@@H](O)C[N@@H+](CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC1 ZINC001404261063 918259676 /nfs/dbraw/zinc/25/96/76/918259676.db2.gz CJOKEXAIAKVIRX-NWDGAFQWSA-N 2 2 294.399 0.550 20 0 CCADLP CN(C[C@@H](O)C[NH2+]CCF)C(=O)c1cccc2[nH+]ccn21 ZINC001332537496 918264638 /nfs/dbraw/zinc/26/46/38/918264638.db2.gz VHKGNXDRRJUDIZ-NSHDSACASA-N 2 2 294.330 0.326 20 0 CCADLP CO[C@@H](C)C[N@@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001404395837 918334069 /nfs/dbraw/zinc/33/40/69/918334069.db2.gz OAPCTVTWBQSQJZ-NSHDSACASA-N 2 2 294.399 0.876 20 0 CCADLP CNC(=O)C[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001332944921 918553574 /nfs/dbraw/zinc/55/35/74/918553574.db2.gz CXIULQIDYRYCCH-DGCLKSJQSA-N 2 2 269.389 0.354 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@](C)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001405511532 918786306 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O=C(Cn1cc[nH+]c1)NCC1([NH2+]Cc2ccccn2)CC1 ZINC001406997837 919570072 /nfs/dbraw/zinc/57/00/72/919570072.db2.gz MNNONSHLOHHAIE-UHFFFAOYSA-N 2 2 285.351 0.717 20 0 CCADLP CC(C)[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001407441904 919753740 /nfs/dbraw/zinc/75/37/40/919753740.db2.gz XIWUILXQXQDDJC-AWEZNQCLSA-N 2 2 297.443 0.821 20 0 CCADLP CC(C)[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001407441904 919753747 /nfs/dbraw/zinc/75/37/47/919753747.db2.gz XIWUILXQXQDDJC-AWEZNQCLSA-N 2 2 297.443 0.821 20 0 CCADLP C[C@H](C[NH2+][C@@H](C)c1cn(C)nn1)N1CC[NH+](C)CC1 ZINC001334813627 919787492 /nfs/dbraw/zinc/78/74/92/919787492.db2.gz OFQMOYWKUSFJCY-NEPJUHHUSA-N 2 2 266.393 0.102 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1CCC[N@H+](CCO)CC1 ZINC001407883254 919939976 /nfs/dbraw/zinc/93/99/76/919939976.db2.gz HXSXTIIXQUVYLF-ZDUSSCGKSA-N 2 2 294.399 0.316 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1CCC[N@@H+](CCO)CC1 ZINC001407883254 919939989 /nfs/dbraw/zinc/93/99/89/919939989.db2.gz 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ZINC001336098810 920608398 /nfs/dbraw/zinc/60/83/98/920608398.db2.gz BYKOMQYXYBUVOB-UHFFFAOYSA-N 2 2 282.388 0.055 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001418077074 921812003 /nfs/dbraw/zinc/81/20/03/921812003.db2.gz YZJJXFLIHXELAD-DLOVCJGASA-N 2 2 280.372 0.532 20 0 CCADLP CC[C@H](C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1)OC ZINC001418078831 921812264 /nfs/dbraw/zinc/81/22/64/921812264.db2.gz VSKFLMXSVXHZBG-JHJVBQTASA-N 2 2 280.372 0.545 20 0 CCADLP CC(C)C[C@H](C(=O)NC[C@@H](C)[NH2+]CCO)n1cc[nH+]c1 ZINC001418236071 921949994 /nfs/dbraw/zinc/94/99/94/921949994.db2.gz KXCBDEHJNWZFFW-CHWSQXEVSA-N 2 2 282.388 0.557 20 0 CCADLP CC[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C[C@@H]1CC[C@@H](C)O1 ZINC001418569139 922268415 /nfs/dbraw/zinc/26/84/15/922268415.db2.gz QRSHRWFRMYLFGW-OLZOCXBDSA-N 2 2 294.399 0.958 20 0 CCADLP CC[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C[C@@H]1CC[C@@H](C)O1 ZINC001418569139 922268430 /nfs/dbraw/zinc/26/84/30/922268430.db2.gz QRSHRWFRMYLFGW-OLZOCXBDSA-N 2 2 294.399 0.958 20 0 CCADLP CC[N@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)C[C@H](C)OC ZINC001418580717 922275408 /nfs/dbraw/zinc/27/54/08/922275408.db2.gz OKLQMTJFAICNAE-NSHDSACASA-N 2 2 282.388 0.734 20 0 CCADLP CC[N@@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)C[C@H](C)OC ZINC001418580717 922275422 /nfs/dbraw/zinc/27/54/22/922275422.db2.gz OKLQMTJFAICNAE-NSHDSACASA-N 2 2 282.388 0.734 20 0 CCADLP COC[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001418830861 922443429 /nfs/dbraw/zinc/44/34/29/922443429.db2.gz ZDXGPPCHIHDCAB-STQMWFEESA-N 2 2 294.399 0.528 20 0 CCADLP CC(=O)N1CC[C@H](C[N@H+](C)CCn2cc[nH+]c2)C1 ZINC001341425150 922479571 /nfs/dbraw/zinc/47/95/71/922479571.db2.gz PADNXVSAFNMJRY-CYBMUJFWSA-N 2 2 250.346 0.683 20 0 CCADLP CC(=O)N1CC[C@H](C[N@@H+](C)CCn2cc[nH+]c2)C1 ZINC001341425150 922479577 /nfs/dbraw/zinc/47/95/77/922479577.db2.gz PADNXVSAFNMJRY-CYBMUJFWSA-N 2 2 250.346 0.683 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001341472425 922505167 /nfs/dbraw/zinc/50/51/67/922505167.db2.gz HPPQBXMNKMKZPF-HBNTYKKESA-N 2 2 250.346 0.845 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001341472425 922505177 /nfs/dbraw/zinc/50/51/77/922505177.db2.gz HPPQBXMNKMKZPF-HBNTYKKESA-N 2 2 250.346 0.845 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001418960499 922515268 /nfs/dbraw/zinc/51/52/68/922515268.db2.gz URCGPBPJJQGOPQ-ZDUSSCGKSA-N 2 2 294.399 0.316 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC001418960499 922515284 /nfs/dbraw/zinc/51/52/84/922515284.db2.gz URCGPBPJJQGOPQ-ZDUSSCGKSA-N 2 2 294.399 0.316 20 0 CCADLP O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@@H]1CCn2cc[nH+]c2C1 ZINC001341537370 922541871 /nfs/dbraw/zinc/54/18/71/922541871.db2.gz VFTXGLGSGISJFG-WRWGMCAJSA-N 2 2 260.341 0.455 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCC2C[NH+](CCCO)C2)c[nH+]1 ZINC001419022428 922578127 /nfs/dbraw/zinc/57/81/27/922578127.db2.gz ZXXXNPWDPYOPNU-UHFFFAOYSA-N 2 2 294.399 0.357 20 0 CCADLP [NH3+][C@H](CC(=O)NCC[C@H]1CSCC[NH2+]1)C(F)F ZINC001341991278 922754951 /nfs/dbraw/zinc/75/49/51/922754951.db2.gz ZNYNHNJPDQRFBR-JGVFFNPUSA-N 2 2 267.345 0.180 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]([NH2+]C[C@@H]1CCOC1)C1CC1 ZINC001419328332 922772253 /nfs/dbraw/zinc/77/22/53/922772253.db2.gz SFHPAWFQLWMDQI-JSGCOSHPSA-N 2 2 292.383 0.404 20 0 CCADLP Cc1cc(N)nc(N[C@H](C)[C@H]2C[N@@H+](C)CCO2)[nH+]1 ZINC001342945953 923144503 /nfs/dbraw/zinc/14/45/03/923144503.db2.gz BISPPXLYCJWKJW-NXEZZACHSA-N 2 2 251.334 0.498 20 0 CCADLP Cc1[nH]c(CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)c(C)[nH+]1 ZINC001419912400 923161265 /nfs/dbraw/zinc/16/12/65/923161265.db2.gz HVFKDRUMSADANJ-LBPRGKRZSA-N 2 2 278.356 0.363 20 0 CCADLP COCC[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001419973558 923200780 /nfs/dbraw/zinc/20/07/80/923200780.db2.gz SGADDHFLJFIDTI-VXGBXAGGSA-N 2 2 280.372 0.550 20 0 CCADLP COCC[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001419973558 923200791 /nfs/dbraw/zinc/20/07/91/923200791.db2.gz SGADDHFLJFIDTI-VXGBXAGGSA-N 2 2 280.372 0.550 20 0 CCADLP CC[C@H](C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)OC ZINC001419996465 923221694 /nfs/dbraw/zinc/22/16/94/923221694.db2.gz PUMLVXLOFQAWKA-GXTWGEPZSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]CC[C@H]1CCCO1 ZINC001420167965 923359178 /nfs/dbraw/zinc/35/91/78/923359178.db2.gz IQYXHELSDHRSTQ-ZIAGYGMSSA-N 2 2 294.399 0.937 20 0 CCADLP CC[C@H](F)C[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001420197641 923401821 /nfs/dbraw/zinc/40/18/21/923401821.db2.gz IZRRSJKWTFWHQG-WDEREUQCSA-N 2 2 286.351 0.075 20 0 CCADLP O=C(N[C@@H]1C[NH2+]CC12CC2)[C@@H]1CCc2[nH+]ccn2C1 ZINC001343731448 923448021 /nfs/dbraw/zinc/44/80/21/923448021.db2.gz JEVDZZKCXMLRBG-GHMZBOCLSA-N 2 2 260.341 0.314 20 0 CCADLP C[NH2+]C1(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CCC1 ZINC001344011686 923529731 /nfs/dbraw/zinc/52/97/31/923529731.db2.gz PLWAMDGVYQPUJV-LBPRGKRZSA-N 2 2 267.373 0.062 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001344015838 923531771 /nfs/dbraw/zinc/53/17/71/923531771.db2.gz GLMFOSJSIDZJGO-NEPJUHHUSA-N 2 2 250.346 0.997 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001344015838 923531789 /nfs/dbraw/zinc/53/17/89/923531789.db2.gz GLMFOSJSIDZJGO-NEPJUHHUSA-N 2 2 250.346 0.997 20 0 CCADLP CC[N@H+](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)C[C@@H](C)O ZINC001420424313 923653904 /nfs/dbraw/zinc/65/39/04/923653904.db2.gz UOQOXYNZPMRCKY-CHWSQXEVSA-N 2 2 282.388 0.653 20 0 CCADLP CC[N@@H+](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)C[C@@H](C)O ZINC001420424313 923653917 /nfs/dbraw/zinc/65/39/17/923653917.db2.gz UOQOXYNZPMRCKY-CHWSQXEVSA-N 2 2 282.388 0.653 20 0 CCADLP CC[N@H+](CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CC(=O)NC ZINC001420451117 923675361 /nfs/dbraw/zinc/67/53/61/923675361.db2.gz ODKZKILAQGVNKG-STQMWFEESA-N 2 2 298.431 0.043 20 0 CCADLP CC[N@@H+](CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CC(=O)NC ZINC001420451117 923675367 /nfs/dbraw/zinc/67/53/67/923675367.db2.gz ODKZKILAQGVNKG-STQMWFEESA-N 2 2 298.431 0.043 20 0 CCADLP C[NH2+]CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)C ZINC001344811884 923692141 /nfs/dbraw/zinc/69/21/41/923692141.db2.gz OCUHHCKBKRKRAG-VXGBXAGGSA-N 2 2 264.373 0.980 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CC[N@@H+]1C[C@@H]1CCOC1 ZINC001420852304 923983674 /nfs/dbraw/zinc/98/36/74/923983674.db2.gz UFHUGZUAAGCTMA-KBPBESRZSA-N 2 2 292.383 0.500 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CC[N@H+]1C[C@@H]1CCOC1 ZINC001420852304 923983678 /nfs/dbraw/zinc/98/36/78/923983678.db2.gz UFHUGZUAAGCTMA-KBPBESRZSA-N 2 2 292.383 0.500 20 0 CCADLP Cn1c[nH+]cc1CN1CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001420901662 924012831 /nfs/dbraw/zinc/01/28/31/924012831.db2.gz JOEUROAFQWBFBP-CYBMUJFWSA-N 2 2 291.399 0.206 20 0 CCADLP O=C(NCC1([NH2+]CCF)CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001420959591 924054205 /nfs/dbraw/zinc/05/42/05/924054205.db2.gz QECFJLBPFGLTEM-NSHDSACASA-N 2 2 280.347 0.653 20 0 CCADLP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC001346179618 924098937 /nfs/dbraw/zinc/09/89/37/924098937.db2.gz JQKDWKRKUPNBKF-ZBFHGGJFSA-N 3 2 298.475 0.057 20 0 CCADLP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC001346179618 924098949 /nfs/dbraw/zinc/09/89/49/924098949.db2.gz JQKDWKRKUPNBKF-ZBFHGGJFSA-N 3 2 298.475 0.057 20 0 CCADLP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@H](O)CN(C)C2CC2)CC1 ZINC001346179618 924098955 /nfs/dbraw/zinc/09/89/55/924098955.db2.gz JQKDWKRKUPNBKF-ZBFHGGJFSA-N 2 2 298.475 0.057 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC1C[NH+](CCC[C@H](C)O)C1 ZINC001421096141 924148739 /nfs/dbraw/zinc/14/87/39/924148739.db2.gz KDBMFTHHHDBNGU-NSHDSACASA-N 2 2 280.372 0.153 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)NC1CC[NH2+]CC1 ZINC001346306245 924152968 /nfs/dbraw/zinc/15/29/68/924152968.db2.gz DYAJLDASMJLSPH-UHFFFAOYSA-N 2 2 262.357 0.630 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001421229764 924230898 /nfs/dbraw/zinc/23/08/98/924230898.db2.gz ZRWARMQCBQWOMZ-TZMCWYRMSA-N 2 2 280.372 0.499 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001421229764 924230911 /nfs/dbraw/zinc/23/09/11/924230911.db2.gz ZRWARMQCBQWOMZ-TZMCWYRMSA-N 2 2 280.372 0.499 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@]1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001421254196 924240811 /nfs/dbraw/zinc/24/08/11/924240811.db2.gz ULHBRNWYEBJYOK-WFASDCNBSA-N 2 2 294.399 0.815 20 0 CCADLP CC(C)(CF)NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001346568929 924265395 /nfs/dbraw/zinc/26/53/95/924265395.db2.gz ANFNDYNNBJYZFC-UHFFFAOYSA-N 2 2 260.357 0.457 20 0 CCADLP COc1c(N)[nH+]cnc1N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001348565721 924728625 /nfs/dbraw/zinc/72/86/25/924728625.db2.gz RWYLEBFDBVDSSZ-OPRDCNLKSA-N 2 2 263.345 0.820 20 0 CCADLP COc1c(N)[nH+]cnc1N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001348565721 924728628 /nfs/dbraw/zinc/72/86/28/924728628.db2.gz RWYLEBFDBVDSSZ-OPRDCNLKSA-N 2 2 263.345 0.820 20 0 CCADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001348954070 924852471 /nfs/dbraw/zinc/85/24/71/924852471.db2.gz GQZVUVQQMLEVIM-WRWGMCAJSA-N 2 2 262.357 0.970 20 0 CCADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001348954070 924852482 /nfs/dbraw/zinc/85/24/82/924852482.db2.gz GQZVUVQQMLEVIM-WRWGMCAJSA-N 2 2 262.357 0.970 20 0 CCADLP Cn1cc[nH+]c1CCNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC001349277520 924920197 /nfs/dbraw/zinc/92/01/97/924920197.db2.gz LEKXDFCFDHNUIO-LBPRGKRZSA-N 2 2 262.357 0.706 20 0 CCADLP CC(C)(C)[NH2+]CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001351044914 925350351 /nfs/dbraw/zinc/35/03/51/925350351.db2.gz WATULHABQOWARF-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC1CC[NH+](C)CC1 ZINC001351112588 925362877 /nfs/dbraw/zinc/36/28/77/925362877.db2.gz KNWAHIXQKGEHCS-UHFFFAOYSA-N 2 2 264.373 0.811 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC12CCC[NH+](CCC1)C2 ZINC001352463856 925581324 /nfs/dbraw/zinc/58/13/24/925581324.db2.gz AEUXPARFECEYDO-UHFFFAOYSA-N 2 2 262.357 0.944 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+](C)C1(CO)CCOCC1 ZINC001352889581 925666026 /nfs/dbraw/zinc/66/60/26/925666026.db2.gz JONOQPXRYJZGQL-UHFFFAOYSA-N 2 2 253.346 0.436 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+](C)C1(CO)CCOCC1 ZINC001352889581 925666032 /nfs/dbraw/zinc/66/60/32/925666032.db2.gz JONOQPXRYJZGQL-UHFFFAOYSA-N 2 2 253.346 0.436 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC001353403889 925822613 /nfs/dbraw/zinc/82/26/13/925822613.db2.gz AGYMRQSLNFMVLU-GXFFZTMASA-N 2 2 263.345 0.443 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)C1(C2CC[NH2+]CC2)CC1 ZINC001353549326 925867900 /nfs/dbraw/zinc/86/79/00/925867900.db2.gz RUTYFIVCJPIMFR-UHFFFAOYSA-N 2 2 262.357 0.848 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@]12C[C@H]1CCC[NH2+]2 ZINC001353786511 925932306 /nfs/dbraw/zinc/93/23/06/925932306.db2.gz XTLQMNPJISOYRA-OCCSQVGLSA-N 2 2 262.357 0.874 20 0 CCADLP Cc1cccc(NCCNC(=O)C[C@H]([NH3+])C(F)F)[nH+]1 ZINC001354131525 926023172 /nfs/dbraw/zinc/02/31/72/926023172.db2.gz KOPPXKCIBXVXQN-VIFPVBQESA-N 2 2 272.299 0.901 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C[C@@H]([NH3+])C(F)F ZINC001357518153 926553776 /nfs/dbraw/zinc/55/37/76/926553776.db2.gz SXSPRGDVBHCQBY-OPRDCNLKSA-N 2 2 263.332 0.768 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C[C@@H]([NH3+])C(F)F ZINC001357518153 926553784 /nfs/dbraw/zinc/55/37/84/926553784.db2.gz SXSPRGDVBHCQBY-OPRDCNLKSA-N 2 2 263.332 0.768 20 0 CCADLP C[C@@H](O)C[NH2+]CC1(NC(=O)CCc2c[nH]c[nH+]2)CCCC1 ZINC001421510593 926782724 /nfs/dbraw/zinc/78/27/24/926782724.db2.gz ZTDCTEZIURORIH-GFCCVEGCSA-N 2 2 294.399 0.742 20 0 CCADLP C[C@@H](O)C[NH2+]CC1(NC(=O)CCc2c[nH+]c[nH]2)CCCC1 ZINC001421510593 926782731 /nfs/dbraw/zinc/78/27/31/926782731.db2.gz ZTDCTEZIURORIH-GFCCVEGCSA-N 2 2 294.399 0.742 20 0 CCADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC[C@@H]1CCOC1 ZINC001421515388 926782948 /nfs/dbraw/zinc/78/29/48/926782948.db2.gz ZZYJYKQYLQOLCR-ZIAGYGMSSA-N 2 2 294.399 0.794 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C)([NH2+]C[C@@H](C)O)CC1 ZINC001422068404 927056996 /nfs/dbraw/zinc/05/69/96/927056996.db2.gz PRTANAZNKNHZDA-LLVKDONJSA-N 2 2 294.399 0.612 20 0 CCADLP CC(C)[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccon1 ZINC001422136234 927092797 /nfs/dbraw/zinc/09/27/97/927092797.db2.gz BZTMKPBHVWIYKH-CYBMUJFWSA-N 2 2 291.355 0.802 20 0 CCADLP CC(C)[NH2+]C[C@H](O)CNC(=O)c1cccc2[nH+]ccn21 ZINC001422336158 927230226 /nfs/dbraw/zinc/23/02/26/927230226.db2.gz UKSAJPUREWWOCM-NSHDSACASA-N 2 2 276.340 0.423 20 0 CCADLP CC(C)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001422347359 927235385 /nfs/dbraw/zinc/23/53/85/927235385.db2.gz LIWBIMXOYHLMML-CHWSQXEVSA-N 2 2 294.399 0.168 20 0 CCADLP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001361743490 927292414 /nfs/dbraw/zinc/29/24/14/927292414.db2.gz QPFGJATTXDWBQA-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@H](C[NH2+]Cc1nncs1)NC(=O)C[N@H+](C)C1CCC1 ZINC001422505928 927331098 /nfs/dbraw/zinc/33/10/98/927331098.db2.gz PCSOUKUOTUUTEL-SNVBAGLBSA-N 2 2 297.428 0.617 20 0 CCADLP C[C@H](C[NH2+]Cc1nncs1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001422505928 927331112 /nfs/dbraw/zinc/33/11/12/927331112.db2.gz PCSOUKUOTUUTEL-SNVBAGLBSA-N 2 2 297.428 0.617 20 0 CCADLP CC(C)C[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(N)=O)n1cc[nH+]c1 ZINC001422671461 927444191 /nfs/dbraw/zinc/44/41/91/927444191.db2.gz JSCBIWVVUKAJHW-RYUDHWBXSA-N 2 2 295.387 0.050 20 0 CCADLP CCC(=O)N1CCC([NH2+]C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001422818093 927531960 /nfs/dbraw/zinc/53/19/60/927531960.db2.gz CFLJROCLEPPGPU-OAHLLOKOSA-N 2 2 297.443 0.824 20 0 CCADLP CCC(=O)N1CCC([NH2+]C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001422818093 927531966 /nfs/dbraw/zinc/53/19/66/927531966.db2.gz CFLJROCLEPPGPU-OAHLLOKOSA-N 2 2 297.443 0.824 20 0 CCADLP CC[C@@H](F)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001422824537 927536342 /nfs/dbraw/zinc/53/63/42/927536342.db2.gz LBZFBTXHJZBZDY-ZRJCITRHSA-N 2 2 294.374 0.994 20 0 CCADLP CC[C@@H](F)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001422824537 927536351 /nfs/dbraw/zinc/53/63/51/927536351.db2.gz LBZFBTXHJZBZDY-ZRJCITRHSA-N 2 2 294.374 0.994 20 0 CCADLP C[C@H](C[N@H+](C)CC(N)=O)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001422890266 927573049 /nfs/dbraw/zinc/57/30/49/927573049.db2.gz JPFVCMZORSOKKZ-OLZOCXBDSA-N 2 2 298.431 0.173 20 0 CCADLP C[C@H](C[N@@H+](C)CC(N)=O)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001422890266 927573054 /nfs/dbraw/zinc/57/30/54/927573054.db2.gz JPFVCMZORSOKKZ-OLZOCXBDSA-N 2 2 298.431 0.173 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001423185002 927718618 /nfs/dbraw/zinc/71/86/18/927718618.db2.gz ZSKWMSSGQFXLSI-RYUDHWBXSA-N 2 2 280.372 0.188 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001423185002 927718627 /nfs/dbraw/zinc/71/86/27/927718627.db2.gz ZSKWMSSGQFXLSI-RYUDHWBXSA-N 2 2 280.372 0.188 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)[NH2+]CCC1CC1 ZINC001423291333 927795003 /nfs/dbraw/zinc/79/50/03/927795003.db2.gz UKECQNRDBJSYGH-LBPRGKRZSA-N 2 2 280.372 0.127 20 0 CCADLP Cn1nccc1C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001423312422 927806522 /nfs/dbraw/zinc/80/65/22/927806522.db2.gz LZBCNIYLFSGFHZ-UHFFFAOYSA-N 2 2 288.355 0.055 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@]1(C)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001423639365 927946653 /nfs/dbraw/zinc/94/66/53/927946653.db2.gz AZLGXCAVHWMRBH-HIFRSBDPSA-N 2 2 294.399 0.746 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC001362401774 927971010 /nfs/dbraw/zinc/97/10/10/927971010.db2.gz YYZCCJPOYKQDPH-GJZGRUSLSA-N 2 2 297.443 0.632 20 0 CCADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC001362401774 927971019 /nfs/dbraw/zinc/97/10/19/927971019.db2.gz YYZCCJPOYKQDPH-GJZGRUSLSA-N 2 2 297.443 0.632 20 0 CCADLP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC001362401774 927971028 /nfs/dbraw/zinc/97/10/28/927971028.db2.gz YYZCCJPOYKQDPH-GJZGRUSLSA-N 2 2 297.443 0.632 20 0 CCADLP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC001362401774 927971033 /nfs/dbraw/zinc/97/10/33/927971033.db2.gz YYZCCJPOYKQDPH-GJZGRUSLSA-N 2 2 297.443 0.632 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC001362468723 928056976 /nfs/dbraw/zinc/05/69/76/928056976.db2.gz LYWGOQVRNRUVJQ-GFCCVEGCSA-N 2 2 277.372 0.163 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC001362468723 928056988 /nfs/dbraw/zinc/05/69/88/928056988.db2.gz LYWGOQVRNRUVJQ-GFCCVEGCSA-N 2 2 277.372 0.163 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CNCC(F)(F)F ZINC001362663035 928323195 /nfs/dbraw/zinc/32/31/95/928323195.db2.gz XRORXHXQNAJOCX-UHFFFAOYSA-N 2 2 298.353 0.138 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CNCC(F)(F)F ZINC001362663035 928323208 /nfs/dbraw/zinc/32/32/08/928323208.db2.gz XRORXHXQNAJOCX-UHFFFAOYSA-N 2 2 298.353 0.138 20 0 CCADLP CC[N@H+](C)[C@@H]1CCN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC001424956200 928362652 /nfs/dbraw/zinc/36/26/52/928362652.db2.gz 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/nfs/dbraw/zinc/55/08/96/349550896.db2.gz CJEJPUOKTSLGID-VXGBXAGGSA-N 2 2 295.408 0.800 20 0 CCADLP C[N@H+](CC(=O)NC1CCOCC1)CC(C)(C)C[NH3+] ZINC000093874199 349554574 /nfs/dbraw/zinc/55/45/74/349554574.db2.gz XRHXJSIHBPCNOM-UHFFFAOYSA-N 2 2 257.378 0.198 20 0 CCADLP C[N@@H+](CC(=O)NC1CCOCC1)CC(C)(C)C[NH3+] ZINC000093874199 349554579 /nfs/dbraw/zinc/55/45/79/349554579.db2.gz XRHXJSIHBPCNOM-UHFFFAOYSA-N 2 2 257.378 0.198 20 0 CCADLP OCCOCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000095428235 349610124 /nfs/dbraw/zinc/61/01/24/349610124.db2.gz GMPOJZIVWROWFP-CYBMUJFWSA-N 2 2 252.314 0.544 20 0 CCADLP OCCOCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000095428235 349610126 /nfs/dbraw/zinc/61/01/26/349610126.db2.gz GMPOJZIVWROWFP-CYBMUJFWSA-N 2 2 252.314 0.544 20 0 CCADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@H]1C[NH+](CC)CCO1 ZINC000456395031 529387749 /nfs/dbraw/zinc/38/77/49/529387749.db2.gz ZICKYOLKYMBTNP-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)[C@H]1C[NH+](CC)CCO1 ZINC000456395031 529387750 /nfs/dbraw/zinc/38/77/50/529387750.db2.gz ZICKYOLKYMBTNP-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@@H]1C[NH+](CC)CCN1C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000456395031 529387752 /nfs/dbraw/zinc/38/77/52/529387752.db2.gz ZICKYOLKYMBTNP-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@@H]1C[NH+](CC)CCN1C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000456395031 529387753 /nfs/dbraw/zinc/38/77/53/529387753.db2.gz ZICKYOLKYMBTNP-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000456395029 529387916 /nfs/dbraw/zinc/38/79/16/529387916.db2.gz ZICKYOLKYMBTNP-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC000456395029 529387918 /nfs/dbraw/zinc/38/79/18/529387918.db2.gz ZICKYOLKYMBTNP-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@@H]1C[NH+](CC)CCN1C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000456395029 529387919 /nfs/dbraw/zinc/38/79/19/529387919.db2.gz ZICKYOLKYMBTNP-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@@H]1C[NH+](CC)CCN1C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000456395029 529387923 /nfs/dbraw/zinc/38/79/23/529387923.db2.gz ZICKYOLKYMBTNP-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP C[NH2+]CCCN1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000435877059 290648460 /nfs/dbraw/zinc/64/84/60/290648460.db2.gz MZQUPQFIHCGETN-UHFFFAOYSA-N 2 2 296.459 0.616 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000492716719 529557992 /nfs/dbraw/zinc/55/79/92/529557992.db2.gz FWCONKDLLLLQCM-DSYXLKISSA-N 2 2 292.383 0.441 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000492716719 529557997 /nfs/dbraw/zinc/55/79/97/529557997.db2.gz FWCONKDLLLLQCM-DSYXLKISSA-N 2 2 292.383 0.441 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+]([C@@H](C)C(=O)N(C)C)CC2)c1 ZINC000104963860 349720297 /nfs/dbraw/zinc/72/02/97/349720297.db2.gz FPSHBDINSNBFGG-LBPRGKRZSA-N 2 2 292.383 0.689 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418263766 529574899 /nfs/dbraw/zinc/57/48/99/529574899.db2.gz JRTGZBWRXOJAHK-QWRGUYRKSA-N 2 2 265.361 0.700 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000417011286 529562564 /nfs/dbraw/zinc/56/25/64/529562564.db2.gz RKJKKELGSXTOOV-LLVKDONJSA-N 2 2 265.361 0.684 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NCC(F)(F)F)C1 ZINC000104426135 349716317 /nfs/dbraw/zinc/71/63/17/349716317.db2.gz OLEUXAVAIXHBER-DTWKUNHWSA-N 2 2 267.295 0.724 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NCC(F)(F)F)C1 ZINC000104426135 349716321 /nfs/dbraw/zinc/71/63/21/349716321.db2.gz OLEUXAVAIXHBER-DTWKUNHWSA-N 2 2 267.295 0.724 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NCC(F)(F)F)C1 ZINC000104426143 349716757 /nfs/dbraw/zinc/71/67/57/349716757.db2.gz OLEUXAVAIXHBER-IUCAKERBSA-N 2 2 267.295 0.724 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NCC(F)(F)F)C1 ZINC000104426143 349716758 /nfs/dbraw/zinc/71/67/58/349716758.db2.gz OLEUXAVAIXHBER-IUCAKERBSA-N 2 2 267.295 0.724 20 0 CCADLP C[C@@H](C(=O)NC1CCCCC1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107855409 349741561 /nfs/dbraw/zinc/74/15/61/349741561.db2.gz RPBHPHPZHQWEHB-RWMBFGLXSA-N 2 2 265.401 0.975 20 0 CCADLP C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107855409 349741565 /nfs/dbraw/zinc/74/15/65/349741565.db2.gz RPBHPHPZHQWEHB-RWMBFGLXSA-N 2 2 265.401 0.975 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCOC[C@H]1C[C@@H](C)O ZINC000362270744 282206986 /nfs/dbraw/zinc/20/69/86/282206986.db2.gz QBQLXVRINNPXSH-DGCLKSJQSA-N 2 2 253.346 0.663 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCOC[C@H]1C[C@@H](C)O ZINC000362270744 282206987 /nfs/dbraw/zinc/20/69/87/282206987.db2.gz QBQLXVRINNPXSH-DGCLKSJQSA-N 2 2 253.346 0.663 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000377163364 282207647 /nfs/dbraw/zinc/20/76/47/282207647.db2.gz AIYVRHNUMDOQKE-ZFWWWQNUSA-N 2 2 278.400 0.987 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000377163364 282207648 /nfs/dbraw/zinc/20/76/48/282207648.db2.gz AIYVRHNUMDOQKE-ZFWWWQNUSA-N 2 2 278.400 0.987 20 0 CCADLP CCC(CC)[C@@H](C(=O)NC[C@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000178761553 282224203 /nfs/dbraw/zinc/22/42/03/282224203.db2.gz MJUVTNRNXFRKGP-CABCVRRESA-N 2 2 297.443 0.992 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+]2C[C@@H](C)OC[C@@H]2C)C1 ZINC000617724037 365731094 /nfs/dbraw/zinc/73/10/94/365731094.db2.gz UZDLPXSLERXXPV-HZSPNIEDSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+]2C[C@@H](C)OC[C@@H]2C)C1 ZINC000617724037 365731103 /nfs/dbraw/zinc/73/11/03/365731103.db2.gz UZDLPXSLERXXPV-HZSPNIEDSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)C1 ZINC000617724037 365731112 /nfs/dbraw/zinc/73/11/12/365731112.db2.gz UZDLPXSLERXXPV-HZSPNIEDSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)C1 ZINC000617724037 365731118 /nfs/dbraw/zinc/73/11/18/365731118.db2.gz UZDLPXSLERXXPV-HZSPNIEDSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)CCc2[nH]cc[nH+]2)[C@H](C)CO1 ZINC000617725514 365734869 /nfs/dbraw/zinc/73/48/69/365734869.db2.gz LGBIJECLZYHGOQ-VXGBXAGGSA-N 2 2 280.372 0.568 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)CCc2[nH]cc[nH+]2)[C@H](C)CO1 ZINC000617725514 365734873 /nfs/dbraw/zinc/73/48/73/365734873.db2.gz LGBIJECLZYHGOQ-VXGBXAGGSA-N 2 2 280.372 0.568 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)[NH+](C)C ZINC000617730170 365740314 /nfs/dbraw/zinc/74/03/14/365740314.db2.gz KAOVTCQLXSVDHI-MGPQQGTHSA-N 2 2 285.432 0.798 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)[NH+](C)C ZINC000617730170 365740319 /nfs/dbraw/zinc/74/03/19/365740319.db2.gz KAOVTCQLXSVDHI-MGPQQGTHSA-N 2 2 285.432 0.798 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000156828004 136387171 /nfs/dbraw/zinc/38/71/71/136387171.db2.gz FXIWKLCECYROJE-NWDGAFQWSA-N 2 2 292.383 0.518 20 0 CCADLP C[C@@H](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH+](C)C ZINC000617751546 365756384 /nfs/dbraw/zinc/75/63/84/365756384.db2.gz YZWRHKUSLAZOHA-NWDGAFQWSA-N 2 2 264.373 0.902 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)NCC[C@H](C)[NH+](C)C ZINC000617756440 365758928 /nfs/dbraw/zinc/75/89/28/365758928.db2.gz GWEQBUQWOAYVFP-NWDGAFQWSA-N 2 2 257.378 0.164 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)NCC[C@H](C)[NH+](C)C ZINC000617756440 365758933 /nfs/dbraw/zinc/75/89/33/365758933.db2.gz GWEQBUQWOAYVFP-NWDGAFQWSA-N 2 2 257.378 0.164 20 0 CCADLP CO[C@](C)(C(=O)NCC[N@H+](C)CCC[NH+](C)C)C1CC1 ZINC000617764027 365766629 /nfs/dbraw/zinc/76/66/29/365766629.db2.gz GGCXBLOCEGMMCJ-HNNXBMFYSA-N 2 2 285.432 0.801 20 0 CCADLP CO[C@](C)(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1CC1 ZINC000617764027 365766633 /nfs/dbraw/zinc/76/66/33/365766633.db2.gz GGCXBLOCEGMMCJ-HNNXBMFYSA-N 2 2 285.432 0.801 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@]12C[C@@H]1COC2(C)C ZINC000617763700 365767055 /nfs/dbraw/zinc/76/70/55/365767055.db2.gz XVYQSNWRQOFIQJ-CZUORRHYSA-N 2 2 297.443 0.801 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@]12C[C@@H]1COC2(C)C ZINC000617763700 365767058 /nfs/dbraw/zinc/76/70/58/365767058.db2.gz XVYQSNWRQOFIQJ-CZUORRHYSA-N 2 2 297.443 0.801 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)COC(C)(C)C ZINC000617764905 365768151 /nfs/dbraw/zinc/76/81/51/365768151.db2.gz LFFYIEUHPFYMPB-UHFFFAOYSA-N 2 2 273.421 0.801 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)COC(C)(C)C ZINC000617764905 365768156 /nfs/dbraw/zinc/76/81/56/365768156.db2.gz LFFYIEUHPFYMPB-UHFFFAOYSA-N 2 2 273.421 0.801 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccccn1 ZINC000617768652 365773470 /nfs/dbraw/zinc/77/34/70/365773470.db2.gz OJMGJHUQGJDTOT-UHFFFAOYSA-N 2 2 264.373 0.695 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccccn1 ZINC000617768652 365773476 /nfs/dbraw/zinc/77/34/76/365773476.db2.gz OJMGJHUQGJDTOT-UHFFFAOYSA-N 2 2 264.373 0.695 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccoc1 ZINC000617768269 365774154 /nfs/dbraw/zinc/77/41/54/365774154.db2.gz WRSLZIJTOLSWNF-UHFFFAOYSA-N 2 2 253.346 0.893 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccoc1 ZINC000617768269 365774156 /nfs/dbraw/zinc/77/41/56/365774156.db2.gz WRSLZIJTOLSWNF-UHFFFAOYSA-N 2 2 253.346 0.893 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@@](C)(O)C1CC1 ZINC000617765440 365771453 /nfs/dbraw/zinc/77/14/53/365771453.db2.gz APGNVZKIIMBHMI-OAHLLOKOSA-N 2 2 285.432 0.537 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@@](C)(O)C1CC1 ZINC000617765440 365771455 /nfs/dbraw/zinc/77/14/55/365771455.db2.gz APGNVZKIIMBHMI-OAHLLOKOSA-N 2 2 285.432 0.537 20 0 CCADLP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000423877963 529782791 /nfs/dbraw/zinc/78/27/91/529782791.db2.gz UBJRGVWOTHPLQL-HUUCEWRRSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000423877963 529782792 /nfs/dbraw/zinc/78/27/92/529782792.db2.gz UBJRGVWOTHPLQL-HUUCEWRRSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114198334 349824201 /nfs/dbraw/zinc/82/42/01/349824201.db2.gz ZCGXVACMZUHEIQ-NWDGAFQWSA-N 2 2 298.431 0.883 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114198334 349824204 /nfs/dbraw/zinc/82/42/04/349824204.db2.gz ZCGXVACMZUHEIQ-NWDGAFQWSA-N 2 2 298.431 0.883 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2c[nH]nc2-c2cccnc2)C1 ZINC000358142938 529800618 /nfs/dbraw/zinc/80/06/18/529800618.db2.gz RYFXSBJLUULIHK-OAHLLOKOSA-N 2 2 287.367 0.628 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2c[nH]nc2-c2cccnc2)C1 ZINC000358142938 529800620 /nfs/dbraw/zinc/80/06/20/529800620.db2.gz RYFXSBJLUULIHK-OAHLLOKOSA-N 2 2 287.367 0.628 20 0 CCADLP OCCN1CC[NH+](CCCCNc2cccc[nH+]2)CC1 ZINC000114450817 349830504 /nfs/dbraw/zinc/83/05/04/349830504.db2.gz FMRLHAVDMRXOJB-UHFFFAOYSA-N 2 2 278.400 0.884 20 0 CCADLP C[N@H+](CCCO)C1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493714519 529893657 /nfs/dbraw/zinc/89/36/57/529893657.db2.gz ZIHKTFVTHXHEHL-ONEGZZNKSA-N 2 2 292.383 0.728 20 0 CCADLP C[N@@H+](CCCO)C1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493714519 529893658 /nfs/dbraw/zinc/89/36/58/529893658.db2.gz ZIHKTFVTHXHEHL-ONEGZZNKSA-N 2 2 292.383 0.728 20 0 CCADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358170252 282308672 /nfs/dbraw/zinc/30/86/72/282308672.db2.gz QIDRESOZCVSSLQ-AWEZNQCLSA-N 3 2 264.373 0.304 20 0 CCADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358170252 282308673 /nfs/dbraw/zinc/30/86/73/282308673.db2.gz QIDRESOZCVSSLQ-AWEZNQCLSA-N 3 2 264.373 0.304 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842012 349909031 /nfs/dbraw/zinc/90/90/31/349909031.db2.gz OELMBVVYBXERQL-CYBMUJFWSA-N 2 2 298.431 0.742 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118842012 349909033 /nfs/dbraw/zinc/90/90/33/349909033.db2.gz OELMBVVYBXERQL-CYBMUJFWSA-N 2 2 298.431 0.742 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842012 349909035 /nfs/dbraw/zinc/90/90/35/349909035.db2.gz OELMBVVYBXERQL-CYBMUJFWSA-N 2 2 298.431 0.742 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842012 349909037 /nfs/dbraw/zinc/90/90/37/349909037.db2.gz OELMBVVYBXERQL-CYBMUJFWSA-N 2 2 298.431 0.742 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000423775850 529993448 /nfs/dbraw/zinc/99/34/48/529993448.db2.gz DFWOXHSVVHRWNW-NSHDSACASA-N 2 2 277.372 0.289 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000418387308 529996476 /nfs/dbraw/zinc/99/64/76/529996476.db2.gz MFFUTHSAXFIBOO-UWVGGRQHSA-N 2 2 278.347 0.386 20 0 CCADLP CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000602019534 362459087 /nfs/dbraw/zinc/45/90/87/362459087.db2.gz FYMSZRIOZXHKLP-ICRTXTNUSA-N 2 2 282.384 0.781 20 0 CCADLP CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000602019534 362459090 /nfs/dbraw/zinc/45/90/90/362459090.db2.gz FYMSZRIOZXHKLP-ICRTXTNUSA-N 2 2 282.384 0.781 20 0 CCADLP C[NH+]1CCN(C(=O)CNC(C)(C)C[NH+]2CCCC2)CC1 ZINC000308634442 530068237 /nfs/dbraw/zinc/06/82/37/530068237.db2.gz YTKRPZXXOFIJIG-UHFFFAOYSA-N 2 2 282.432 0.224 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]C(C)(C)CN2CCCC2)CC1 ZINC000308634442 530068238 /nfs/dbraw/zinc/06/82/38/530068238.db2.gz YTKRPZXXOFIJIG-UHFFFAOYSA-N 2 2 282.432 0.224 20 0 CCADLP COc1ccccc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358159512 232053066 /nfs/dbraw/zinc/05/30/66/232053066.db2.gz CFFQRESBSPGDJE-CQSZACIVSA-N 2 2 250.342 0.851 20 0 CCADLP COc1ccccc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358159512 232053069 /nfs/dbraw/zinc/05/30/69/232053069.db2.gz CFFQRESBSPGDJE-CQSZACIVSA-N 2 2 250.342 0.851 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc[nH]c3)C2)CC1 ZINC000602196858 362553048 /nfs/dbraw/zinc/55/30/48/362553048.db2.gz SBUQQHSTUQQKJQ-ZDUSSCGKSA-N 2 2 276.384 0.913 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc[nH]c3)C2)CC1 ZINC000602196858 362553053 /nfs/dbraw/zinc/55/30/53/362553053.db2.gz SBUQQHSTUQQKJQ-ZDUSSCGKSA-N 2 2 276.384 0.913 20 0 CCADLP CC[C@H](C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)[NH+](C)C ZINC000163957291 290746179 /nfs/dbraw/zinc/74/61/79/290746179.db2.gz XYGRCCDWMZFTSX-YNEHKIRRSA-N 2 2 271.405 0.552 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000602330010 362588479 /nfs/dbraw/zinc/58/84/79/362588479.db2.gz ANAAPJHGTRIWQW-UKRRQHHQSA-N 3 2 294.443 0.365 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000602330010 362588483 /nfs/dbraw/zinc/58/84/83/362588483.db2.gz ANAAPJHGTRIWQW-UKRRQHHQSA-N 3 2 294.443 0.365 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602330010 362588487 /nfs/dbraw/zinc/58/84/87/362588487.db2.gz ANAAPJHGTRIWQW-UKRRQHHQSA-N 3 2 294.443 0.365 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602330010 362588489 /nfs/dbraw/zinc/58/84/89/362588489.db2.gz ANAAPJHGTRIWQW-UKRRQHHQSA-N 3 2 294.443 0.365 20 0 CCADLP COC[C@](C)([NH2+]CCCc1c[nH+]cn1C)C(=O)OC ZINC000573740255 334961923 /nfs/dbraw/zinc/96/19/23/334961923.db2.gz GIWQQFRHRYRDLN-ZDUSSCGKSA-N 2 2 269.345 0.520 20 0 CCADLP c1cn(CC[N@@H+]2CCO[C@]3(CCCOC3)C2)c[nH+]1 ZINC000367540338 232377347 /nfs/dbraw/zinc/37/73/47/232377347.db2.gz KSSLTIKGJOWTAR-CYBMUJFWSA-N 2 2 251.330 0.765 20 0 CCADLP c1cn(CC[N@H+]2CCO[C@]3(CCCOC3)C2)c[nH+]1 ZINC000367540338 232377356 /nfs/dbraw/zinc/37/73/56/232377356.db2.gz KSSLTIKGJOWTAR-CYBMUJFWSA-N 2 2 251.330 0.765 20 0 CCADLP CCN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@H+](CC)C1 ZINC000617925469 365840011 /nfs/dbraw/zinc/84/00/11/365840011.db2.gz MFIWFSNPPMZOHK-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP CCN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@@H+](CC)C1 ZINC000617925469 365840015 /nfs/dbraw/zinc/84/00/15/365840015.db2.gz MFIWFSNPPMZOHK-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C2CN(c3ccncn3)C2)CC[N@@H+]1C ZINC000631746798 370655514 /nfs/dbraw/zinc/65/55/14/370655514.db2.gz SAERBXYWIXIOCP-NEPJUHHUSA-N 2 2 261.373 0.738 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C2CN(c3ccncn3)C2)CC[N@H+]1C ZINC000631746798 370655517 /nfs/dbraw/zinc/65/55/17/370655517.db2.gz SAERBXYWIXIOCP-NEPJUHHUSA-N 2 2 261.373 0.738 20 0 CCADLP CCOC(=O)CCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000102514219 185779907 /nfs/dbraw/zinc/77/99/07/185779907.db2.gz VPNHFCXWCBSEFY-UHFFFAOYSA-N 2 2 285.388 0.036 20 0 CCADLP Cc1n[nH]cc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252667478 137003617 /nfs/dbraw/zinc/00/36/17/137003617.db2.gz KFDZTXCHWTYTCV-STQMWFEESA-N 2 2 250.346 0.671 20 0 CCADLP Cc1n[nH]cc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252667478 137003618 /nfs/dbraw/zinc/00/36/18/137003618.db2.gz KFDZTXCHWTYTCV-STQMWFEESA-N 2 2 250.346 0.671 20 0 CCADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)NCc2ccccc2)C1 ZINC000261552652 137007557 /nfs/dbraw/zinc/00/75/57/137007557.db2.gz RQKIDOZVYQWKDD-OAHLLOKOSA-N 2 2 261.369 0.974 20 0 CCADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)NCc2ccccc2)C1 ZINC000261552652 137007558 /nfs/dbraw/zinc/00/75/58/137007558.db2.gz RQKIDOZVYQWKDD-OAHLLOKOSA-N 2 2 261.369 0.974 20 0 CCADLP COc1c(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c(C)nn1C ZINC000261570577 137009434 /nfs/dbraw/zinc/00/94/34/137009434.db2.gz KNTNSNMETSKSBF-ZDUSSCGKSA-N 2 2 252.362 0.908 20 0 CCADLP COc1c(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c(C)nn1C ZINC000261570577 137009435 /nfs/dbraw/zinc/00/94/35/137009435.db2.gz KNTNSNMETSKSBF-ZDUSSCGKSA-N 2 2 252.362 0.908 20 0 CCADLP C[NH2+]C1CC[NH+](CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000261595094 137011271 /nfs/dbraw/zinc/01/12/71/137011271.db2.gz NWDYWNYNVSAIPU-UHFFFAOYSA-N 2 2 268.361 0.001 20 0 CCADLP O=c1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)nc2sccn21 ZINC000261703310 137016424 /nfs/dbraw/zinc/01/64/24/137016424.db2.gz IQEPVLKPDXCBQD-MNOVXSKESA-N 2 2 290.392 0.797 20 0 CCADLP O=c1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)nc2sccn21 ZINC000261703310 137016425 /nfs/dbraw/zinc/01/64/25/137016425.db2.gz IQEPVLKPDXCBQD-MNOVXSKESA-N 2 2 290.392 0.797 20 0 CCADLP Cn1c[nH+]cc1CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261743828 137017543 /nfs/dbraw/zinc/01/75/43/137017543.db2.gz MXMGBOKDKPRHMX-AWEZNQCLSA-N 2 2 257.341 0.962 20 0 CCADLP C[C@H]([NH3+])CC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000261847418 137022596 /nfs/dbraw/zinc/02/25/96/137022596.db2.gz OLDQELCBEIDFMJ-RYUDHWBXSA-N 2 2 292.383 0.660 20 0 CCADLP C[C@H]([NH3+])CC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000261861622 137023016 /nfs/dbraw/zinc/02/30/16/137023016.db2.gz PSYJXEFVLCMQPB-NSHDSACASA-N 2 2 278.356 0.272 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)N1CC[NH2+]CC1 ZINC000261992006 137027403 /nfs/dbraw/zinc/02/74/03/137027403.db2.gz CVWODYVGMRCJFZ-CABCVRRESA-N 3 2 294.443 0.367 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)N1CC[NH2+]CC1 ZINC000261992006 137027404 /nfs/dbraw/zinc/02/74/04/137027404.db2.gz CVWODYVGMRCJFZ-CABCVRRESA-N 3 2 294.443 0.367 20 0 CCADLP C[NH+]1CCC(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263243901 137061445 /nfs/dbraw/zinc/06/14/45/137061445.db2.gz PBJANQHWHJOPHH-JTQLQIEISA-N 2 2 261.316 0.442 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](C)C[NH+](C)C ZINC000342912930 137103719 /nfs/dbraw/zinc/10/37/19/137103719.db2.gz NMSVKOZVTBZLML-GHMZBOCLSA-N 2 2 253.350 0.521 20 0 CCADLP Cc1nc(N[C@H]2CCC[N@H+](C)[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000343586945 137144263 /nfs/dbraw/zinc/14/42/63/137144263.db2.gz CKKVRQIZPSLMIW-KOLCDFICSA-N 2 2 264.377 0.563 20 0 CCADLP Cc1nc(N[C@H]2CCC[N@@H+](C)[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000343586945 137144264 /nfs/dbraw/zinc/14/42/64/137144264.db2.gz CKKVRQIZPSLMIW-KOLCDFICSA-N 2 2 264.377 0.563 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1cc[nH]n1 ZINC000343654693 137147542 /nfs/dbraw/zinc/14/75/42/137147542.db2.gz HNMZDKSCUIJZNV-UHFFFAOYSA-N 2 2 293.415 0.437 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1cc[nH]n1 ZINC000343654693 137147543 /nfs/dbraw/zinc/14/75/43/137147543.db2.gz HNMZDKSCUIJZNV-UHFFFAOYSA-N 2 2 293.415 0.437 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1ccn[nH]1 ZINC000343654693 137147544 /nfs/dbraw/zinc/14/75/44/137147544.db2.gz HNMZDKSCUIJZNV-UHFFFAOYSA-N 2 2 293.415 0.437 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1ccn[nH]1 ZINC000343654693 137147545 /nfs/dbraw/zinc/14/75/45/137147545.db2.gz HNMZDKSCUIJZNV-UHFFFAOYSA-N 2 2 293.415 0.437 20 0 CCADLP CCCCNc1cc(N[C@H](C)C[NH+](C)C)nc(N)[nH+]1 ZINC000343798757 137158045 /nfs/dbraw/zinc/15/80/45/137158045.db2.gz WFUUQLOWCJTQIE-SNVBAGLBSA-N 2 2 266.393 0.885 20 0 CCADLP C[C@H]1CN(Cc2[nH]cc[nH+]2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000343985435 137171306 /nfs/dbraw/zinc/17/13/06/137171306.db2.gz PNOXQPOGKAGICJ-KBPBESRZSA-N 2 2 277.416 0.868 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC000344256975 137186139 /nfs/dbraw/zinc/18/61/39/137186139.db2.gz HBIAFNJTYULXTE-RRFJBIMHSA-N 3 2 268.449 0.552 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)C1 ZINC000344256975 137186140 /nfs/dbraw/zinc/18/61/40/137186140.db2.gz HBIAFNJTYULXTE-RRFJBIMHSA-N 3 2 268.449 0.552 20 0 CCADLP CCN(CC)C(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000013694368 348029288 /nfs/dbraw/zinc/02/92/88/348029288.db2.gz FZVGBCJINLNFLL-UHFFFAOYSA-N 2 2 279.388 0.411 20 0 CCADLP [NH3+]C1CC[NH+](CC(=O)N2CCc3ccccc3C2)CC1 ZINC000036753975 348170240 /nfs/dbraw/zinc/17/02/40/348170240.db2.gz APRZJUPDMOWAFC-UHFFFAOYSA-N 2 2 273.380 0.994 20 0 CCADLP CCC[C@@H]([NH3+])C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000040770578 348241963 /nfs/dbraw/zinc/24/19/63/348241963.db2.gz WLSAEIANPNACEU-KGLIPLIRSA-N 2 2 284.448 0.502 20 0 CCADLP CCC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000040856528 348245012 /nfs/dbraw/zinc/24/50/12/348245012.db2.gz YCRWSNAUNQKBIQ-CYBMUJFWSA-N 2 2 292.383 0.662 20 0 CCADLP CCN(C#N)CC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602877006 362858010 /nfs/dbraw/zinc/85/80/10/362858010.db2.gz JPBLBWYMWXNMGL-CYBMUJFWSA-N 2 2 254.378 0.178 20 0 CCADLP CCN(C#N)CC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602877006 362858014 /nfs/dbraw/zinc/85/80/14/362858014.db2.gz JPBLBWYMWXNMGL-CYBMUJFWSA-N 2 2 254.378 0.178 20 0 CCADLP CC(=O)[C@@H](NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1)C(C)C ZINC000042395429 348278028 /nfs/dbraw/zinc/27/80/28/348278028.db2.gz FBPMQWLTEAALTD-INIZCTEOSA-N 2 2 297.443 0.990 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cn(Cc3cccnc3)nn2)C1 ZINC000346691995 137299592 /nfs/dbraw/zinc/29/95/92/137299592.db2.gz XHMIQYSAFOEDTQ-JSGCOSHPSA-N 2 2 286.383 0.891 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cn(Cc3cccnc3)nn2)C1 ZINC000346691995 137299593 /nfs/dbraw/zinc/29/95/93/137299593.db2.gz XHMIQYSAFOEDTQ-JSGCOSHPSA-N 2 2 286.383 0.891 20 0 CCADLP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000346106132 137267653 /nfs/dbraw/zinc/26/76/53/137267653.db2.gz XNPLQSRJHULRNV-GFCCVEGCSA-N 2 2 290.367 0.537 20 0 CCADLP NC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000346106132 137267654 /nfs/dbraw/zinc/26/76/54/137267654.db2.gz XNPLQSRJHULRNV-GFCCVEGCSA-N 2 2 290.367 0.537 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000346153908 137269785 /nfs/dbraw/zinc/26/97/85/137269785.db2.gz RUOICHXMFHGJFE-ZDUSSCGKSA-N 2 2 251.330 0.683 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000346153908 137269786 /nfs/dbraw/zinc/26/97/86/137269786.db2.gz RUOICHXMFHGJFE-ZDUSSCGKSA-N 2 2 251.330 0.683 20 0 CCADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000045109195 348334157 /nfs/dbraw/zinc/33/41/57/348334157.db2.gz MLTQPQFTNONFGN-NWDGAFQWSA-N 2 2 266.345 0.156 20 0 CCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000346841763 137307550 /nfs/dbraw/zinc/30/75/50/137307550.db2.gz HCRWWFUMFNIXNL-KGLIPLIRSA-N 2 2 294.443 0.271 20 0 CCADLP C[C@H](C(=O)NC1CC1)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346841763 137307551 /nfs/dbraw/zinc/30/75/51/137307551.db2.gz HCRWWFUMFNIXNL-KGLIPLIRSA-N 2 2 294.443 0.271 20 0 CCADLP c1cnn(C[C@@H]2C[N@H+](C[C@@H]3CCC[NH2+]C3)CCO2)c1 ZINC000346848862 137308375 /nfs/dbraw/zinc/30/83/75/137308375.db2.gz OKIUDFLEUWBPGE-KGLIPLIRSA-N 2 2 264.373 0.584 20 0 CCADLP c1cnn(C[C@@H]2C[N@@H+](C[C@@H]3CCC[NH2+]C3)CCO2)c1 ZINC000346848862 137308376 /nfs/dbraw/zinc/30/83/76/137308376.db2.gz OKIUDFLEUWBPGE-KGLIPLIRSA-N 2 2 264.373 0.584 20 0 CCADLP CC[C@H]1C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CCO1 ZINC000045753333 348342100 /nfs/dbraw/zinc/34/21/00/348342100.db2.gz ADFQCUIHWJBFGN-HNNXBMFYSA-N 2 2 295.427 0.840 20 0 CCADLP CC[C@H]1C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CCO1 ZINC000045753333 348342103 /nfs/dbraw/zinc/34/21/03/348342103.db2.gz ADFQCUIHWJBFGN-HNNXBMFYSA-N 2 2 295.427 0.840 20 0 CCADLP CCC1([NH+]2CCCC2)CC[NH+]([C@H](C)C(=O)NC(N)=O)CC1 ZINC000602949556 362905022 /nfs/dbraw/zinc/90/50/22/362905022.db2.gz HTDVYNVICGMRGQ-GFCCVEGCSA-N 2 2 296.415 0.910 20 0 CCADLP CC(C)OC(=O)CC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989394 362924488 /nfs/dbraw/zinc/92/44/88/362924488.db2.gz NTCSKALCVXPYAY-UHFFFAOYSA-N 2 2 285.388 0.034 20 0 CCADLP CC(C)OC(=O)CC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989394 362924492 /nfs/dbraw/zinc/92/44/92/362924492.db2.gz NTCSKALCVXPYAY-UHFFFAOYSA-N 2 2 285.388 0.034 20 0 CCADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CC[NH+]1CCOCC1 ZINC000347290840 137329373 /nfs/dbraw/zinc/32/93/73/137329373.db2.gz CJFXIPWZFAVKRY-HUUCEWRRSA-N 2 2 267.417 0.877 20 0 CCADLP O=C(CCOC1C[NH2+]C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000349029275 137384427 /nfs/dbraw/zinc/38/44/27/137384427.db2.gz QFBDSLOBOIPRRR-UHFFFAOYSA-N 2 2 278.356 0.425 20 0 CCADLP CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@H]1C[NH+]2CCC1CC2 ZINC000349380741 137393087 /nfs/dbraw/zinc/39/30/87/137393087.db2.gz GRWRAURIBWSVPJ-HIFRSBDPSA-N 2 2 288.395 0.998 20 0 CCADLP COCC[NH+]1CCC(NCC[N@@H+]2CCCOCC2)CC1 ZINC000349421585 137393563 /nfs/dbraw/zinc/39/35/63/137393563.db2.gz SPVNKIHOXGEYTK-UHFFFAOYSA-N 2 2 285.432 0.409 20 0 CCADLP COCC[NH+]1CCC(NCC[N@H+]2CCCOCC2)CC1 ZINC000349421585 137393564 /nfs/dbraw/zinc/39/35/64/137393564.db2.gz SPVNKIHOXGEYTK-UHFFFAOYSA-N 2 2 285.432 0.409 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000347707648 137351750 /nfs/dbraw/zinc/35/17/50/137351750.db2.gz XVOLDZHCDLWVTQ-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000347707648 137351751 /nfs/dbraw/zinc/35/17/51/137351751.db2.gz XVOLDZHCDLWVTQ-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP C[C@H](CS(C)(=O)=O)[N@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000347748961 137354727 /nfs/dbraw/zinc/35/47/27/137354727.db2.gz GDQCYQUEPHDIJN-LLVKDONJSA-N 2 2 285.413 0.860 20 0 CCADLP C[C@H](CS(C)(=O)=O)[N@@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000347748961 137354728 /nfs/dbraw/zinc/35/47/28/137354728.db2.gz GDQCYQUEPHDIJN-LLVKDONJSA-N 2 2 285.413 0.860 20 0 CCADLP C[C@@H]1CN(C(=O)[C@]2(C)CCC[NH2+]C2)C[C@@H]1[NH+]1CCOCC1 ZINC000120480003 349988491 /nfs/dbraw/zinc/98/84/91/349988491.db2.gz MLHDIQJHMGOGAU-IJEWVQPXSA-N 2 2 295.427 0.555 20 0 CCADLP C[C@@H](C[NH+]1CCCCC1)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000049501178 348455746 /nfs/dbraw/zinc/45/57/46/348455746.db2.gz BUHXDFRBLUUAOR-LSDHHAIUSA-N 2 2 285.432 0.144 20 0 CCADLP COc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cn1 ZINC000062070683 348662552 /nfs/dbraw/zinc/66/25/52/348662552.db2.gz PWRBXFYIHYZGPL-ZDUSSCGKSA-N 2 2 265.357 0.637 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCn1nc2ccccn2c1=O ZINC000063195106 348682313 /nfs/dbraw/zinc/68/23/13/348682313.db2.gz QPQNSHDBMUDJNL-CHWSQXEVSA-N 2 2 289.383 0.698 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCn1nc2ccccn2c1=O ZINC000063195106 348682316 /nfs/dbraw/zinc/68/23/16/348682316.db2.gz QPQNSHDBMUDJNL-CHWSQXEVSA-N 2 2 289.383 0.698 20 0 CCADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[N@H+](C)C1CC1 ZINC000068196067 348802624 /nfs/dbraw/zinc/80/26/24/348802624.db2.gz WELYESRXGIETNJ-NSHDSACASA-N 2 2 250.346 0.872 20 0 CCADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[N@@H+](C)C1CC1 ZINC000068196067 348802626 /nfs/dbraw/zinc/80/26/26/348802626.db2.gz WELYESRXGIETNJ-NSHDSACASA-N 2 2 250.346 0.872 20 0 CCADLP CCNC(=O)[C@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000070143044 348873587 /nfs/dbraw/zinc/87/35/87/348873587.db2.gz ZIHJQKULQWGCDQ-VIFPVBQESA-N 2 2 253.350 0.100 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000072859639 348936545 /nfs/dbraw/zinc/93/65/45/348936545.db2.gz QGJIKLPWIXJLBT-GFCCVEGCSA-N 2 2 284.404 0.496 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000072859639 348936548 /nfs/dbraw/zinc/93/65/48/348936548.db2.gz QGJIKLPWIXJLBT-GFCCVEGCSA-N 2 2 284.404 0.496 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000072859639 348936551 /nfs/dbraw/zinc/93/65/51/348936551.db2.gz QGJIKLPWIXJLBT-GFCCVEGCSA-N 2 2 284.404 0.496 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000072859639 348936553 /nfs/dbraw/zinc/93/65/53/348936553.db2.gz QGJIKLPWIXJLBT-GFCCVEGCSA-N 2 2 284.404 0.496 20 0 CCADLP C[C@H]1CCCC[N@@H+]1CCNC(=O)Cn1cc[nH+]c1 ZINC000072956215 348938446 /nfs/dbraw/zinc/93/84/46/348938446.db2.gz KACCJPJCRDLPKY-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP C[C@H]1CCCC[N@H+]1CCNC(=O)Cn1cc[nH+]c1 ZINC000072956215 348938450 /nfs/dbraw/zinc/93/84/50/348938450.db2.gz KACCJPJCRDLPKY-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP C[NH+](C)C1(CNC(=O)Cn2cc[nH+]c2)CCCC1 ZINC000072969597 348939077 /nfs/dbraw/zinc/93/90/77/348939077.db2.gz IDCMZCMQFMPREC-UHFFFAOYSA-N 2 2 250.346 0.874 20 0 CCADLP CC[NH+](CC)CCOC1CC[NH+](CC(=O)OC)CC1 ZINC000075007384 349016434 /nfs/dbraw/zinc/01/64/34/349016434.db2.gz SXHINJMJRIRCNV-UHFFFAOYSA-N 2 2 272.389 0.982 20 0 CCADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)Cn2cc[nH+]c2)C[C@@H](C)O1 ZINC000078656027 349148224 /nfs/dbraw/zinc/14/82/24/349148224.db2.gz SUZUXOVVCBICCR-CHWSQXEVSA-N 2 2 294.399 0.887 20 0 CCADLP Cc1nc(NC[C@@](C)(O)C[NH+]2CCOCC2)cc[nH+]1 ZINC000078343510 349135315 /nfs/dbraw/zinc/13/53/15/349135315.db2.gz SAQYCQPTDGMZJO-CYBMUJFWSA-N 2 2 266.345 0.280 20 0 CCADLP CN(C)c1nc(N2CC[C@@H](C[NH+]3CCOCC3)C2)cc[nH+]1 ZINC000078405376 349138364 /nfs/dbraw/zinc/13/83/64/349138364.db2.gz KMPRFUOIYATIOF-ZDUSSCGKSA-N 2 2 291.399 0.701 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000080996875 349238927 /nfs/dbraw/zinc/23/89/27/349238927.db2.gz VFCBCODRZJVOOV-NSHDSACASA-N 2 2 250.346 0.911 20 0 CCADLP CN(C)c1nc(NCCC[NH+]2CCOCC2)cc[nH+]1 ZINC000085435795 349334136 /nfs/dbraw/zinc/33/41/36/349334136.db2.gz IIFDMENHIPUAAM-UHFFFAOYSA-N 2 2 265.361 0.677 20 0 CCADLP [NH3+]C[C@H]1CCC[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000089450357 349387783 /nfs/dbraw/zinc/38/77/83/349387783.db2.gz NVNMOZSWVUFZTF-VXGBXAGGSA-N 2 2 250.346 0.764 20 0 CCADLP CNC(=O)C(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000121185332 350025906 /nfs/dbraw/zinc/02/59/06/350025906.db2.gz AZOLCQQZHUWTRK-GHMZBOCLSA-N 2 2 253.390 0.973 20 0 CCADLP CNC(=O)C(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000121185332 350025907 /nfs/dbraw/zinc/02/59/07/350025907.db2.gz AZOLCQQZHUWTRK-GHMZBOCLSA-N 2 2 253.390 0.973 20 0 CCADLP C[N@@H+]1CCN(C(=O)CC[C@@H]2CCCCO2)[C@H](C[NH3+])C1 ZINC000122579662 350067173 /nfs/dbraw/zinc/06/71/73/350067173.db2.gz YEUXQKGHCMOPOF-OLZOCXBDSA-N 2 2 269.389 0.437 20 0 CCADLP C[N@H+]1CCN(C(=O)CC[C@@H]2CCCCO2)[C@H](C[NH3+])C1 ZINC000122579662 350067175 /nfs/dbraw/zinc/06/71/75/350067175.db2.gz YEUXQKGHCMOPOF-OLZOCXBDSA-N 2 2 269.389 0.437 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2ccccc2F)[C@@H](C[NH3+])C1 ZINC000122634051 350068006 /nfs/dbraw/zinc/06/80/06/350068006.db2.gz YSBXPQZEFHJOOO-LBPRGKRZSA-N 2 2 265.332 0.470 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2ccccc2F)[C@@H](C[NH3+])C1 ZINC000122634051 350068008 /nfs/dbraw/zinc/06/80/08/350068008.db2.gz YSBXPQZEFHJOOO-LBPRGKRZSA-N 2 2 265.332 0.470 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)NC(=O)NC2CC2)CC[C@@H]1[NH3+] ZINC000122687906 350069171 /nfs/dbraw/zinc/06/91/71/350069171.db2.gz SDWWWCXSHZCMAN-KOLCDFICSA-N 2 2 268.361 0.034 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CC2)CC[C@@H]1[NH3+] ZINC000122687906 350069175 /nfs/dbraw/zinc/06/91/75/350069175.db2.gz SDWWWCXSHZCMAN-KOLCDFICSA-N 2 2 268.361 0.034 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+](C)CCC[NH2+]C ZINC000124977361 350112442 /nfs/dbraw/zinc/11/24/42/350112442.db2.gz LDYOJYUYSWWLMH-UHFFFAOYSA-N 2 2 258.366 0.154 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+](C)CCC[NH2+]C ZINC000124977361 350112445 /nfs/dbraw/zinc/11/24/45/350112445.db2.gz LDYOJYUYSWWLMH-UHFFFAOYSA-N 2 2 258.366 0.154 20 0 CCADLP COc1ccc(CCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000124319341 350095271 /nfs/dbraw/zinc/09/52/71/350095271.db2.gz DWIFNOGWZGUIMW-CQSZACIVSA-N 2 2 291.395 0.729 20 0 CCADLP COc1ccc(CCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000124319341 350095275 /nfs/dbraw/zinc/09/52/75/350095275.db2.gz DWIFNOGWZGUIMW-CQSZACIVSA-N 2 2 291.395 0.729 20 0 CCADLP C[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@H]1n1cc[nH+]c1 ZINC000125636676 350126379 /nfs/dbraw/zinc/12/63/79/350126379.db2.gz AEFRVQLUMVTROY-IHRRRGAJSA-N 2 2 292.383 0.623 20 0 CCADLP C[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1n1cc[nH+]c1 ZINC000125636676 350126380 /nfs/dbraw/zinc/12/63/80/350126380.db2.gz AEFRVQLUMVTROY-IHRRRGAJSA-N 2 2 292.383 0.623 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)c1csc(CC[NH3+])n1 ZINC000090947632 180070898 /nfs/dbraw/zinc/07/08/98/180070898.db2.gz WRYOVFJYAHVFKT-VIFPVBQESA-N 2 2 279.369 0.659 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000091134596 180104032 /nfs/dbraw/zinc/10/40/32/180104032.db2.gz QWTNJRSAYOKRTK-GHMZBOCLSA-N 2 2 268.386 0.483 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000129516322 350216298 /nfs/dbraw/zinc/21/62/98/350216298.db2.gz NKMBKPPCHMJFFE-KBPBESRZSA-N 2 2 298.431 0.300 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NC(=O)NC1CCCC1 ZINC000129065567 350204106 /nfs/dbraw/zinc/20/41/06/350204106.db2.gz VUWBRHXZOKBUAB-MNOVXSKESA-N 2 2 282.388 0.566 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NC(=O)NC1CCCC1 ZINC000129065567 350204111 /nfs/dbraw/zinc/20/41/11/350204111.db2.gz VUWBRHXZOKBUAB-MNOVXSKESA-N 2 2 282.388 0.566 20 0 CCADLP CC(C)(CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000091545985 180186794 /nfs/dbraw/zinc/18/67/94/180186794.db2.gz HKLPNVBSYVGCPN-VXGBXAGGSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H](CNC(=O)NCCn1cc[nH+]c1)[N@H+](C)C1CC1 ZINC000105062100 186039205 /nfs/dbraw/zinc/03/92/05/186039205.db2.gz RUYYCBPWXZCELR-LLVKDONJSA-N 2 2 265.361 0.665 20 0 CCADLP C[C@H](CNC(=O)NCCn1cc[nH+]c1)[N@@H+](C)C1CC1 ZINC000105062100 186039207 /nfs/dbraw/zinc/03/92/07/186039207.db2.gz RUYYCBPWXZCELR-LLVKDONJSA-N 2 2 265.361 0.665 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000091669381 180223929 /nfs/dbraw/zinc/22/39/29/180223929.db2.gz TVLQRBWXLJKIIO-GJZGRUSLSA-N 2 2 289.379 0.148 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000091669381 180223930 /nfs/dbraw/zinc/22/39/30/180223930.db2.gz TVLQRBWXLJKIIO-GJZGRUSLSA-N 2 2 289.379 0.148 20 0 CCADLP CCN(C)C(=O)CC[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000130366080 350235771 /nfs/dbraw/zinc/23/57/71/350235771.db2.gz MWQZVQZDXKYWIC-UHFFFAOYSA-N 2 2 293.415 0.406 20 0 CCADLP C[C@@H](O)CNc1cc(N[C@@H]2CCn3cc[nH+]c3C2)nc[nH+]1 ZINC000413245247 233393872 /nfs/dbraw/zinc/39/38/72/233393872.db2.gz FZIYGDPPBFYQNZ-GHMZBOCLSA-N 2 2 288.355 0.893 20 0 CCADLP C[C@@H](O)CNc1cc(N[C@@H]2CCn3cc[nH+]c3C2)[nH+]cn1 ZINC000413245247 233393881 /nfs/dbraw/zinc/39/38/81/233393881.db2.gz FZIYGDPPBFYQNZ-GHMZBOCLSA-N 2 2 288.355 0.893 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000131366357 350273648 /nfs/dbraw/zinc/27/36/48/350273648.db2.gz UBSXBWBARRATDJ-CQSZACIVSA-N 2 2 262.357 0.965 20 0 CCADLP CCOC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000131572609 350279152 /nfs/dbraw/zinc/27/91/52/350279152.db2.gz WCXRJUHMWJRPAK-KGLIPLIRSA-N 2 2 272.389 0.038 20 0 CCADLP CCOC[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000131572609 350279156 /nfs/dbraw/zinc/27/91/56/350279156.db2.gz WCXRJUHMWJRPAK-KGLIPLIRSA-N 2 2 272.389 0.038 20 0 CCADLP CCc1nc(CN2CC[NH+](CCn3cc[nH+]c3)CC2)no1 ZINC000131909965 350291501 /nfs/dbraw/zinc/29/15/01/350291501.db2.gz BVPKYJOKQXRFQE-UHFFFAOYSA-N 2 2 290.371 0.646 20 0 CCADLP C[NH+](C)CCNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000133416830 350335234 /nfs/dbraw/zinc/33/52/34/350335234.db2.gz WHHMWNTWIYMNGU-UHFFFAOYSA-N 2 2 288.355 0.628 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCOC[C@@H]1CCCO1 ZINC000133464790 350337250 /nfs/dbraw/zinc/33/72/50/350337250.db2.gz TYULSPJRSBNQTM-ILXRZTDVSA-N 2 2 286.416 0.929 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1C)[NH+]1CCSCC1 ZINC000152559747 350532238 /nfs/dbraw/zinc/53/22/38/350532238.db2.gz VOXJRQGYMQQPCM-VXGBXAGGSA-N 2 2 271.430 0.634 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCC[N@H+]1C)[NH+]1CCSCC1 ZINC000152559747 350532245 /nfs/dbraw/zinc/53/22/45/350532245.db2.gz VOXJRQGYMQQPCM-VXGBXAGGSA-N 2 2 271.430 0.634 20 0 CCADLP CCS(=O)(=O)NCC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152337683 350525917 /nfs/dbraw/zinc/52/59/17/350525917.db2.gz BFFPMSSFXABLNF-GFCCVEGCSA-N 2 2 277.434 0.199 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152337683 350525921 /nfs/dbraw/zinc/52/59/21/350525921.db2.gz BFFPMSSFXABLNF-GFCCVEGCSA-N 2 2 277.434 0.199 20 0 CCADLP CCS(=O)(=O)NCC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152337683 350525924 /nfs/dbraw/zinc/52/59/24/350525924.db2.gz BFFPMSSFXABLNF-GFCCVEGCSA-N 2 2 277.434 0.199 20 0 CCADLP CCS(=O)(=O)NCC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152337683 350525928 /nfs/dbraw/zinc/52/59/28/350525928.db2.gz BFFPMSSFXABLNF-GFCCVEGCSA-N 2 2 277.434 0.199 20 0 CCADLP CC[NH+]1CCN(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000163382945 350765229 /nfs/dbraw/zinc/76/52/29/350765229.db2.gz VPWWHYWHDKBVGA-CQSZACIVSA-N 2 2 298.431 0.302 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)no1 ZINC000163182134 350761437 /nfs/dbraw/zinc/76/14/37/350761437.db2.gz DJLPPDKOMLJHHV-NXEZZACHSA-N 2 2 252.318 0.591 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)no1 ZINC000163182134 350761438 /nfs/dbraw/zinc/76/14/38/350761438.db2.gz DJLPPDKOMLJHHV-NXEZZACHSA-N 2 2 252.318 0.591 20 0 CCADLP CC(C)([NH3+])C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000167960848 350817327 /nfs/dbraw/zinc/81/73/27/350817327.db2.gz ADDPPDFYAAXPRN-AWEZNQCLSA-N 2 2 291.395 0.602 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000164029084 350775941 /nfs/dbraw/zinc/77/59/41/350775941.db2.gz YNXBJDTWNDCVFY-VXGBXAGGSA-N 2 2 262.419 0.741 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000164029084 350775944 /nfs/dbraw/zinc/77/59/44/350775944.db2.gz YNXBJDTWNDCVFY-VXGBXAGGSA-N 2 2 262.419 0.741 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000166576323 350799591 /nfs/dbraw/zinc/79/95/91/350799591.db2.gz JQDQJEISROZZLJ-VIFPVBQESA-N 2 2 251.286 0.407 20 0 CCADLP CC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000167148564 350806291 /nfs/dbraw/zinc/80/62/91/350806291.db2.gz JJQHNYFZLNMEGD-AWEZNQCLSA-N 2 2 277.368 0.774 20 0 CCADLP COc1cc(C)[nH+]c(CN2CC[NH+](CCO)CC2)c1 ZINC000168884742 350832291 /nfs/dbraw/zinc/83/22/91/350832291.db2.gz CRDLQLZRRQEVSX-UHFFFAOYSA-N 2 2 265.357 0.509 20 0 CCADLP CCC(CC)[C@@H](CNC(=O)C[NH+](C)C)[NH+]1CCOCC1 ZINC000171372480 350904706 /nfs/dbraw/zinc/90/47/06/350904706.db2.gz FWYFPTFWIUXNJB-CQSZACIVSA-N 2 2 285.432 0.801 20 0 CCADLP CC(C)[N@H+](CC(N)=O)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000172242990 350969651 /nfs/dbraw/zinc/96/96/51/350969651.db2.gz RWFRJEFCDJPDLX-UHFFFAOYSA-N 2 2 298.431 0.171 20 0 CCADLP CC(C)[N@@H+](CC(N)=O)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000172242990 350969656 /nfs/dbraw/zinc/96/96/56/350969656.db2.gz RWFRJEFCDJPDLX-UHFFFAOYSA-N 2 2 298.431 0.171 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC([C@H](C)O)CC2)CC1 ZINC000171969978 350947582 /nfs/dbraw/zinc/94/75/82/350947582.db2.gz GFYKLLSMTZQWFM-KGLIPLIRSA-N 2 2 297.443 0.632 20 0 CCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000173785841 351054748 /nfs/dbraw/zinc/05/47/48/351054748.db2.gz ORLGVJARCAEJDC-QWHCGFSZSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000173785841 351054750 /nfs/dbraw/zinc/05/47/50/351054750.db2.gz ORLGVJARCAEJDC-QWHCGFSZSA-N 2 2 253.390 0.881 20 0 CCADLP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000174391873 351082996 /nfs/dbraw/zinc/08/29/96/351082996.db2.gz VGTIWLLYMSIKIL-CYBMUJFWSA-N 2 2 294.399 0.843 20 0 CCADLP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000174391873 351082999 /nfs/dbraw/zinc/08/29/99/351082999.db2.gz VGTIWLLYMSIKIL-CYBMUJFWSA-N 2 2 294.399 0.843 20 0 CCADLP Cn1ccc(N2CCC[C@H]([NH2+]Cc3c[nH+]cn3C)C2=O)n1 ZINC000174588769 351093645 /nfs/dbraw/zinc/09/36/45/351093645.db2.gz TVPLTUIFEIIIED-LBPRGKRZSA-N 2 2 288.355 0.439 20 0 CCADLP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ncnn2C)CC1 ZINC000177133473 351194893 /nfs/dbraw/zinc/19/48/93/351194893.db2.gz QLGVVSMHSKDOGT-LBPRGKRZSA-N 2 2 281.404 0.340 20 0 CCADLP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ncnn2C)CC1 ZINC000177133473 351194896 /nfs/dbraw/zinc/19/48/96/351194896.db2.gz QLGVVSMHSKDOGT-LBPRGKRZSA-N 2 2 281.404 0.340 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)C2CCC2)CC1 ZINC000177130740 351195170 /nfs/dbraw/zinc/19/51/70/351195170.db2.gz FXYJYTMFRFRCHD-UHFFFAOYSA-N 2 2 253.390 0.929 20 0 CCADLP C[C@@H]1CN(C(=O)[C@]2(C)CCCC[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000181012913 351299171 /nfs/dbraw/zinc/29/91/71/351299171.db2.gz LCWLAKVHYABLRV-YCPHGPKFSA-N 2 2 295.427 0.698 20 0 CCADLP Cc1ccccc1[C@H](CO)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000541051160 290923892 /nfs/dbraw/zinc/92/38/92/290923892.db2.gz FILWDABHVBXPOP-HNNXBMFYSA-N 2 2 291.395 0.392 20 0 CCADLP CCC[NH+]1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000179893324 351278517 /nfs/dbraw/zinc/27/85/17/351278517.db2.gz WHWPXOXOSGYCQT-UHFFFAOYSA-N 2 2 287.371 0.777 20 0 CCADLP OC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000186505970 351499345 /nfs/dbraw/zinc/49/93/45/351499345.db2.gz PRSYTWZNEAGVJL-GJZGRUSLSA-N 2 2 273.336 0.800 20 0 CCADLP OC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000186505970 351499349 /nfs/dbraw/zinc/49/93/49/351499349.db2.gz PRSYTWZNEAGVJL-GJZGRUSLSA-N 2 2 273.336 0.800 20 0 CCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188976158 351643826 /nfs/dbraw/zinc/64/38/26/351643826.db2.gz CEFJRPPIVXJJOV-QJPTWQEYSA-N 2 2 278.331 0.477 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)C1(CO)CCOCC1 ZINC000191032423 351743199 /nfs/dbraw/zinc/74/31/99/351743199.db2.gz NMXUPHZEQDYNDH-UHFFFAOYSA-N 2 2 253.346 0.747 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)C1(CO)CCOCC1 ZINC000191032423 351743200 /nfs/dbraw/zinc/74/32/00/351743200.db2.gz NMXUPHZEQDYNDH-UHFFFAOYSA-N 2 2 253.346 0.747 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123161131 187075022 /nfs/dbraw/zinc/07/50/22/187075022.db2.gz DYMNNXVIBPRULZ-VXGBXAGGSA-N 2 2 284.404 0.637 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123161131 187075023 /nfs/dbraw/zinc/07/50/23/187075023.db2.gz DYMNNXVIBPRULZ-VXGBXAGGSA-N 2 2 284.404 0.637 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123161131 187075024 /nfs/dbraw/zinc/07/50/24/187075024.db2.gz DYMNNXVIBPRULZ-VXGBXAGGSA-N 2 2 284.404 0.637 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123161131 187075025 /nfs/dbraw/zinc/07/50/25/187075025.db2.gz DYMNNXVIBPRULZ-VXGBXAGGSA-N 2 2 284.404 0.637 20 0 CCADLP CCC[C@@H](C(=O)OCC)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000212355445 351929633 /nfs/dbraw/zinc/92/96/33/351929633.db2.gz ZQWHFJIIVXAKJY-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[C@@H](C(=O)OCC)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000212355445 351929637 /nfs/dbraw/zinc/92/96/37/351929637.db2.gz ZQWHFJIIVXAKJY-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP [NH3+]CC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000226264049 352021781 /nfs/dbraw/zinc/02/17/81/352021781.db2.gz HUDURIZVXYDZRK-UHFFFAOYSA-N 2 2 263.341 0.168 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+](C)[C@@H]2CCC[NH2+]CC2)C[C@H](C)O1 ZINC000231668271 352131606 /nfs/dbraw/zinc/13/16/06/352131606.db2.gz ZTLYKXFCMUTQJT-HZSPNIEDSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)C[C@H](C)O1 ZINC000231668271 352131607 /nfs/dbraw/zinc/13/16/07/352131607.db2.gz ZTLYKXFCMUTQJT-HZSPNIEDSA-N 2 2 283.416 0.696 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000228726433 352082984 /nfs/dbraw/zinc/08/29/84/352082984.db2.gz SWUTWEAPTKLGMY-CQSZACIVSA-N 2 2 265.357 0.188 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCOCC(F)F ZINC000235136172 352180536 /nfs/dbraw/zinc/18/05/36/352180536.db2.gz VRQCLRZTGCGZIB-UWVGGRQHSA-N 2 2 252.305 0.625 20 0 CCADLP C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@@H](C[NH3+])C1 ZINC000235606194 352185249 /nfs/dbraw/zinc/18/52/49/352185249.db2.gz YOSPKDRPMUANAT-NWDGAFQWSA-N 2 2 250.346 0.859 20 0 CCADLP O[C@H]1C[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1O ZINC000236590727 352200037 /nfs/dbraw/zinc/20/00/37/352200037.db2.gz ZJZYOZUXUCTAPS-KBPBESRZSA-N 2 2 259.309 0.410 20 0 CCADLP CCC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000236803262 352217029 /nfs/dbraw/zinc/21/70/29/352217029.db2.gz RETCOUCPNBTKOW-OLZOCXBDSA-N 2 2 269.389 0.437 20 0 CCADLP O=C(c1cccc(-n2cc[nH+]c2)c1)N1CC[NH2+]CC1 ZINC000237886262 352287444 /nfs/dbraw/zinc/28/74/44/352287444.db2.gz KCJQTKCRBMLAOU-UHFFFAOYSA-N 2 2 256.309 0.918 20 0 CCADLP COCCN(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604207418 363183503 /nfs/dbraw/zinc/18/35/03/363183503.db2.gz DKGBSBHTBOWTDX-CYBMUJFWSA-N 2 2 298.431 0.443 20 0 CCADLP COCCN(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604207418 363183506 /nfs/dbraw/zinc/18/35/06/363183506.db2.gz DKGBSBHTBOWTDX-CYBMUJFWSA-N 2 2 298.431 0.443 20 0 CCADLP OC[C@]1([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CCOC1 ZINC000542692488 290956234 /nfs/dbraw/zinc/95/62/34/290956234.db2.gz SVIRFUZRCPIQSE-MRXNPFEDSA-N 2 2 291.395 0.787 20 0 CCADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC000245434590 352322829 /nfs/dbraw/zinc/32/28/29/352322829.db2.gz CJTUKXJMOKMTNL-NEPJUHHUSA-N 2 2 296.415 0.637 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC000245434590 352322834 /nfs/dbraw/zinc/32/28/34/352322834.db2.gz CJTUKXJMOKMTNL-NEPJUHHUSA-N 2 2 296.415 0.637 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC000245434590 352322839 /nfs/dbraw/zinc/32/28/39/352322839.db2.gz CJTUKXJMOKMTNL-NEPJUHHUSA-N 2 2 296.415 0.637 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC000245434590 352322846 /nfs/dbraw/zinc/32/28/46/352322846.db2.gz CJTUKXJMOKMTNL-NEPJUHHUSA-N 2 2 296.415 0.637 20 0 CCADLP CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000245924480 352341951 /nfs/dbraw/zinc/34/19/51/352341951.db2.gz NWZACAAKWQRUPE-HUUCEWRRSA-N 2 2 296.459 0.613 20 0 CCADLP CCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000245924480 352341954 /nfs/dbraw/zinc/34/19/54/352341954.db2.gz NWZACAAKWQRUPE-HUUCEWRRSA-N 2 2 296.459 0.613 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1CC[C@@H](C[NH+](C)C)C1 ZINC000246087947 352348244 /nfs/dbraw/zinc/34/82/44/352348244.db2.gz NLVWZWJBRNSCQX-KGLIPLIRSA-N 2 2 255.406 0.591 20 0 CCADLP C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000655416345 412563970 /nfs/dbraw/zinc/56/39/70/412563970.db2.gz QEKWWODLOIBFRR-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP CC(=O)Nc1ccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000250753441 352507673 /nfs/dbraw/zinc/50/76/73/352507673.db2.gz HBIGQHKEXJCKRC-OAHLLOKOSA-N 2 2 276.384 0.720 20 0 CCADLP CC(=O)Nc1ccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000250753441 352507674 /nfs/dbraw/zinc/50/76/74/352507674.db2.gz HBIGQHKEXJCKRC-OAHLLOKOSA-N 2 2 276.384 0.720 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000252453687 352514906 /nfs/dbraw/zinc/51/49/06/352514906.db2.gz RLEMKRXVTXOPFO-AGIUHOORSA-N 2 2 251.374 0.396 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000252731842 352524754 /nfs/dbraw/zinc/52/47/54/352524754.db2.gz RVKAPMOPOJGIKO-WOPDTQHZSA-N 2 2 262.419 0.739 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000252731842 352524757 /nfs/dbraw/zinc/52/47/57/352524757.db2.gz RVKAPMOPOJGIKO-WOPDTQHZSA-N 2 2 262.419 0.739 20 0 CCADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1ccc(F)cc1F ZINC000258944939 352556678 /nfs/dbraw/zinc/55/66/78/352556678.db2.gz QCHHTQZLIRCDKP-LBPRGKRZSA-N 2 2 255.312 0.958 20 0 CCADLP Cn1nc2c(cc1=O)C[N@@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000261928450 352565199 /nfs/dbraw/zinc/56/51/99/352565199.db2.gz LFXXBQOINAIEGW-NSHDSACASA-N 2 2 262.357 0.138 20 0 CCADLP Cn1nc2c(cc1=O)C[N@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000261928450 352565204 /nfs/dbraw/zinc/56/52/04/352565204.db2.gz LFXXBQOINAIEGW-NSHDSACASA-N 2 2 262.357 0.138 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](C[C@@H]2CCSC2)C1 ZINC000262021947 352570193 /nfs/dbraw/zinc/57/01/93/352570193.db2.gz WFCURIUOAYTLRH-STQMWFEESA-N 2 2 283.441 0.636 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000262021947 352570196 /nfs/dbraw/zinc/57/01/96/352570196.db2.gz WFCURIUOAYTLRH-STQMWFEESA-N 2 2 283.441 0.636 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000262030927 352571105 /nfs/dbraw/zinc/57/11/05/352571105.db2.gz XDZCVONYPQRVRF-KGLIPLIRSA-N 2 2 281.400 0.309 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000262030927 352571107 /nfs/dbraw/zinc/57/11/07/352571107.db2.gz XDZCVONYPQRVRF-KGLIPLIRSA-N 2 2 281.400 0.309 20 0 CCADLP CC[C@@H](C)NC(=O)CN1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262083939 352576937 /nfs/dbraw/zinc/57/69/37/352576937.db2.gz UBBYFARQPOTYBR-GDBMZVCRSA-N 2 2 296.459 0.518 20 0 CCADLP CC[C@@H](C)NC(=O)C[NH+]1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262083939 352576938 /nfs/dbraw/zinc/57/69/38/352576938.db2.gz UBBYFARQPOTYBR-GDBMZVCRSA-N 2 2 296.459 0.518 20 0 CCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1nccs1 ZINC000262100137 352577468 /nfs/dbraw/zinc/57/74/68/352577468.db2.gz VMUDHCUPUCNGTG-NSHDSACASA-N 2 2 282.413 0.963 20 0 CCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1nccs1 ZINC000262100137 352577473 /nfs/dbraw/zinc/57/74/73/352577473.db2.gz VMUDHCUPUCNGTG-NSHDSACASA-N 2 2 282.413 0.963 20 0 CCADLP CCC[N@H+](C[C@@]1(C)CC[NH2+]C1)[C@@H]1CCS(=O)(=O)C1 ZINC000262144374 352583126 /nfs/dbraw/zinc/58/31/26/352583126.db2.gz ZJVJLHSYDDLKAM-OLZOCXBDSA-N 2 2 274.430 0.885 20 0 CCADLP CCC[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@@H]1CCS(=O)(=O)C1 ZINC000262144374 352583130 /nfs/dbraw/zinc/58/31/30/352583130.db2.gz ZJVJLHSYDDLKAM-OLZOCXBDSA-N 2 2 274.430 0.885 20 0 CCADLP CCC[N@H+](C[C@]1(C)CC[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC000262144379 352583224 /nfs/dbraw/zinc/58/32/24/352583224.db2.gz ZJVJLHSYDDLKAM-QWHCGFSZSA-N 2 2 274.430 0.885 20 0 CCADLP CCC[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC000262144379 352583226 /nfs/dbraw/zinc/58/32/26/352583226.db2.gz ZJVJLHSYDDLKAM-QWHCGFSZSA-N 2 2 274.430 0.885 20 0 CCADLP COC(=O)CNC(=O)CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266790598 352721273 /nfs/dbraw/zinc/72/12/73/352721273.db2.gz XCJSIPCTWRRLJA-UHFFFAOYSA-N 2 2 294.355 0.268 20 0 CCADLP Cc1cn2cc(NC(=O)[C@@H]3C[N@H+](C)CCO3)ccc2[nH+]1 ZINC000266844009 352725913 /nfs/dbraw/zinc/72/59/13/352725913.db2.gz PIVIBWHAFIUDID-LBPRGKRZSA-N 2 2 274.324 0.912 20 0 CCADLP Cc1cn2cc(NC(=O)[C@@H]3C[N@@H+](C)CCO3)ccc2[nH+]1 ZINC000266844009 352725915 /nfs/dbraw/zinc/72/59/15/352725915.db2.gz PIVIBWHAFIUDID-LBPRGKRZSA-N 2 2 274.324 0.912 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266949883 352735326 /nfs/dbraw/zinc/73/53/26/352735326.db2.gz TYNCJASMINIJNU-VHSXEESVSA-N 2 2 279.344 0.433 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266949883 352735329 /nfs/dbraw/zinc/73/53/29/352735329.db2.gz TYNCJASMINIJNU-VHSXEESVSA-N 2 2 279.344 0.433 20 0 CCADLP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)NCc3cccnc3)C2)C1 ZINC000292138386 198178338 /nfs/dbraw/zinc/17/83/38/198178338.db2.gz MFOJHFJKCIQQCA-MRXNPFEDSA-N 2 2 288.395 0.725 20 0 CCADLP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)NCc3cccnc3)C2)C1 ZINC000292138386 198178340 /nfs/dbraw/zinc/17/83/40/198178340.db2.gz MFOJHFJKCIQQCA-MRXNPFEDSA-N 2 2 288.395 0.725 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)NCc3cccnc3)C2)C1 ZINC000292138386 198178341 /nfs/dbraw/zinc/17/83/41/198178341.db2.gz MFOJHFJKCIQQCA-MRXNPFEDSA-N 2 2 288.395 0.725 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)NCc3cccnc3)C2)C1 ZINC000292138386 198178343 /nfs/dbraw/zinc/17/83/43/198178343.db2.gz MFOJHFJKCIQQCA-MRXNPFEDSA-N 2 2 288.395 0.725 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)N1CCOCC1 ZINC000267392755 352763801 /nfs/dbraw/zinc/76/38/01/352763801.db2.gz DILMRNRAFAGWEI-GFCCVEGCSA-N 2 2 278.356 0.448 20 0 CCADLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)N1CCOCC1 ZINC000267392755 352763808 /nfs/dbraw/zinc/76/38/08/352763808.db2.gz DILMRNRAFAGWEI-GFCCVEGCSA-N 2 2 278.356 0.448 20 0 CCADLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N1CCNC1=O ZINC000267454594 352768266 /nfs/dbraw/zinc/76/82/66/352768266.db2.gz SPCTYANRQPAELF-JTQLQIEISA-N 2 2 277.328 0.141 20 0 CCADLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N1CCNC1=O ZINC000267454594 352768269 /nfs/dbraw/zinc/76/82/69/352768269.db2.gz SPCTYANRQPAELF-JTQLQIEISA-N 2 2 277.328 0.141 20 0 CCADLP OC[C@@H]1CCCN1c1cc(NCC[NH+]2CCCC2)nc[nH+]1 ZINC000271627343 191248495 /nfs/dbraw/zinc/24/84/95/191248495.db2.gz XAQUMDUHXBIAKN-ZDUSSCGKSA-N 2 2 291.399 0.945 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)N2CCC[N@@H+](C)CC2)n1C ZINC000267660925 352782603 /nfs/dbraw/zinc/78/26/03/352782603.db2.gz XYHSFBLLGSJFBA-UHFFFAOYSA-N 2 2 294.403 0.333 20 0 CCADLP Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2C)c(C)[nH+]1 ZINC000268054901 352805698 /nfs/dbraw/zinc/80/56/98/352805698.db2.gz NGJAZGCXRIWOKH-LBPRGKRZSA-N 2 2 290.367 0.847 20 0 CCADLP Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C)c(C)[nH+]1 ZINC000268054901 352805701 /nfs/dbraw/zinc/80/57/01/352805701.db2.gz NGJAZGCXRIWOKH-LBPRGKRZSA-N 2 2 290.367 0.847 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000418692740 234207303 /nfs/dbraw/zinc/20/73/03/234207303.db2.gz GCQQOTNXDUBVFU-VXGBXAGGSA-N 2 2 280.372 0.843 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000418716872 234213617 /nfs/dbraw/zinc/21/36/17/234213617.db2.gz ZXYKWCITXPDIKR-VXGBXAGGSA-N 2 2 277.372 0.649 20 0 CCADLP Cc1[nH+]ccn1CCNc1[nH+]cnc2c1cnn2C ZINC000269805022 352876625 /nfs/dbraw/zinc/87/66/25/352876625.db2.gz AUAHCWSPSCRYJJ-UHFFFAOYSA-N 2 2 257.301 0.980 20 0 CCADLP [NH3+]CC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000040858226 303367232 /nfs/dbraw/zinc/36/72/32/303367232.db2.gz GPDUCIUDHHOESR-JTQLQIEISA-N 2 2 269.370 0.196 20 0 CCADLP C[NH+](C)C/C=C/C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000270101516 352904138 /nfs/dbraw/zinc/90/41/38/352904138.db2.gz WTBPIRVRUQGMKQ-IYNGYCSASA-N 2 2 274.368 0.894 20 0 CCADLP Cc1cc(NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc[nH+]1 ZINC000271111877 353023204 /nfs/dbraw/zinc/02/32/04/353023204.db2.gz GMFZDQBPIQOFBD-ZDUSSCGKSA-N 2 2 277.372 0.757 20 0 CCADLP Cc1cc(NC(=O)NC[C@H]2C[N@H+](C)CCN2C)cc[nH+]1 ZINC000271111877 353023206 /nfs/dbraw/zinc/02/32/06/353023206.db2.gz GMFZDQBPIQOFBD-ZDUSSCGKSA-N 2 2 277.372 0.757 20 0 CCADLP Cc1nc(N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)cc[nH+]1 ZINC000418998310 234282430 /nfs/dbraw/zinc/28/24/30/234282430.db2.gz HMHZXPKJBLXSIV-WDEREUQCSA-N 2 2 250.346 0.676 20 0 CCADLP Cc1nc(N2C[C@H](C)[N@H+](CCO)C[C@H]2C)cc[nH+]1 ZINC000418998310 234282432 /nfs/dbraw/zinc/28/24/32/234282432.db2.gz HMHZXPKJBLXSIV-WDEREUQCSA-N 2 2 250.346 0.676 20 0 CCADLP C[C@H](O)C[NH+]1CCN(c2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000274986578 353177725 /nfs/dbraw/zinc/17/77/25/353177725.db2.gz COPSPKCJSAGICQ-LBPRGKRZSA-N 2 2 291.399 0.801 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC000280189611 353345523 /nfs/dbraw/zinc/34/55/23/353345523.db2.gz PZOOYWFAPUUPGT-LBPRGKRZSA-N 2 2 280.372 0.521 20 0 CCADLP COCC[N@H+]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC000280189611 353345526 /nfs/dbraw/zinc/34/55/26/353345526.db2.gz PZOOYWFAPUUPGT-LBPRGKRZSA-N 2 2 280.372 0.521 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC000280189611 353345529 /nfs/dbraw/zinc/34/55/29/353345529.db2.gz PZOOYWFAPUUPGT-LBPRGKRZSA-N 2 2 280.372 0.521 20 0 CCADLP COCC[N@H+]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC000280189611 353345532 /nfs/dbraw/zinc/34/55/32/353345532.db2.gz PZOOYWFAPUUPGT-LBPRGKRZSA-N 2 2 280.372 0.521 20 0 CCADLP CCOC(=O)c1c[nH+]ccc1N1CC[NH+](C[C@H](C)O)CC1 ZINC000281387739 353391059 /nfs/dbraw/zinc/39/10/59/353391059.db2.gz GDEWOVTXZUJPNE-LBPRGKRZSA-N 2 2 293.367 0.761 20 0 CCADLP CCC[NH+]1CCC([N@H+](C)CC(=O)NCCCOC)CC1 ZINC000177051098 137681834 /nfs/dbraw/zinc/68/18/34/137681834.db2.gz ROYQITDHJQVDFK-UHFFFAOYSA-N 2 2 285.432 0.945 20 0 CCADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)NCCCOC)CC1 ZINC000177051098 137681836 /nfs/dbraw/zinc/68/18/36/137681836.db2.gz ROYQITDHJQVDFK-UHFFFAOYSA-N 2 2 285.432 0.945 20 0 CCADLP COC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccco1 ZINC000283102613 353481080 /nfs/dbraw/zinc/48/10/80/353481080.db2.gz LVWLVPJOYWKIDG-CYBMUJFWSA-N 2 2 295.383 0.721 20 0 CCADLP COCC[NH+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000283841962 353533342 /nfs/dbraw/zinc/53/33/42/353533342.db2.gz GRXGELZBOWVJRT-NSCUHMNNSA-N 2 2 264.329 0.214 20 0 CCADLP Cc1nc(N2CC[NH+](CCc3ccnn3C)CC2)cc[nH+]1 ZINC000284236450 353555219 /nfs/dbraw/zinc/55/52/19/353555219.db2.gz BVZFZGYXFWNOPJ-UHFFFAOYSA-N 2 2 286.383 0.883 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655458558 412581112 /nfs/dbraw/zinc/58/11/12/412581112.db2.gz RGERMQHIKLTCDX-UTUOFQBUSA-N 2 2 262.357 0.560 20 0 CCADLP O=C([C@@H]1CC[N@H+](CCn2cc[nH+]c2)C1)N1CCCC1 ZINC000287490471 353649493 /nfs/dbraw/zinc/64/94/93/353649493.db2.gz STNMVMBKXLLUQV-CYBMUJFWSA-N 2 2 262.357 0.827 20 0 CCADLP O=C([C@@H]1CC[N@@H+](CCn2cc[nH+]c2)C1)N1CCCC1 ZINC000287490471 353649496 /nfs/dbraw/zinc/64/94/96/353649496.db2.gz STNMVMBKXLLUQV-CYBMUJFWSA-N 2 2 262.357 0.827 20 0 CCADLP CN(CC[N@H+](C)C1CC1)C(=O)CCc1[nH]cc[nH+]1 ZINC000287947082 353677280 /nfs/dbraw/zinc/67/72/80/353677280.db2.gz RLPZTUNXQKRGBC-UHFFFAOYSA-N 2 2 250.346 0.895 20 0 CCADLP 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263.389 0.987 20 0 CCADLP CC[N@@H+](C)CC[NH2+]C1CCN(c2cnccn2)CC1 ZINC000531952792 358489168 /nfs/dbraw/zinc/48/91/68/358489168.db2.gz CMLMVZDLHCJITQ-UHFFFAOYSA-N 2 2 263.389 0.987 20 0 CCADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000557667507 291041805 /nfs/dbraw/zinc/04/18/05/291041805.db2.gz MUCMDOALKOMWSP-GJZGRUSLSA-N 2 2 296.459 0.469 20 0 CCADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000557667507 291041807 /nfs/dbraw/zinc/04/18/07/291041807.db2.gz MUCMDOALKOMWSP-GJZGRUSLSA-N 2 2 296.459 0.469 20 0 CCADLP Nc1[nH+]cnc(N2CC[C@H]3C[NH2+]C[C@H]3C2)c1Cl ZINC000333922711 354816373 /nfs/dbraw/zinc/81/63/73/354816373.db2.gz RQZNUPJUGOTXAN-YUMQZZPRSA-N 2 2 253.737 0.758 20 0 CCADLP Nc1nc[nH+]c(N2CC[C@H]3C[NH2+]C[C@H]3C2)c1Cl ZINC000333922711 354816374 /nfs/dbraw/zinc/81/63/74/354816374.db2.gz RQZNUPJUGOTXAN-YUMQZZPRSA-N 2 2 253.737 0.758 20 0 CCADLP C[C@@H](C[NH3+])C(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000054344984 295890091 /nfs/dbraw/zinc/89/00/91/295890091.db2.gz CHJGZWYVBGUPML-RYUDHWBXSA-N 2 2 297.424 0.832 20 0 CCADLP Cc1nc(NC[C@@H](O)C[NH+]2CCC(C)CC2)cc[nH+]1 ZINC000608014604 363392811 /nfs/dbraw/zinc/39/28/11/363392811.db2.gz WZJMPTQISCYZFF-CYBMUJFWSA-N 2 2 264.373 0.712 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000333796686 354795720 /nfs/dbraw/zinc/79/57/20/354795720.db2.gz NJOBJBQXOTVNSX-CHWSQXEVSA-N 2 2 298.431 0.394 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000333796686 354795722 /nfs/dbraw/zinc/79/57/22/354795722.db2.gz NJOBJBQXOTVNSX-CHWSQXEVSA-N 2 2 298.431 0.394 20 0 CCADLP C[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)[C@@H]1CCC[NH2+]1 ZINC000333799203 354796825 /nfs/dbraw/zinc/79/68/25/354796825.db2.gz HLFLQORFKQEICS-TUAOUCFPSA-N 2 2 275.418 0.141 20 0 CCADLP C[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)[C@@H]1CCC[NH2+]1 ZINC000333799209 354796855 /nfs/dbraw/zinc/79/68/55/354796855.db2.gz HLFLQORFKQEICS-UTUOFQBUSA-N 2 2 275.418 0.141 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000334019676 354834546 /nfs/dbraw/zinc/83/45/46/354834546.db2.gz CILASZJUITVIOU-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000334019676 354834550 /nfs/dbraw/zinc/83/45/50/354834550.db2.gz CILASZJUITVIOU-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH+]1CC[C@H](NC(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000334019676 354834551 /nfs/dbraw/zinc/83/45/51/354834551.db2.gz CILASZJUITVIOU-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH+]1CC[C@H](NC(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000334019676 354834553 /nfs/dbraw/zinc/83/45/53/354834553.db2.gz CILASZJUITVIOU-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3cc[nH]n3)C2)CC1 ZINC000608363938 363423489 /nfs/dbraw/zinc/42/34/89/363423489.db2.gz KFXAXJMELLXCDS-ZDUSSCGKSA-N 2 2 291.399 0.237 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3cc[nH]n3)C2)CC1 ZINC000608363938 363423492 /nfs/dbraw/zinc/42/34/92/363423492.db2.gz KFXAXJMELLXCDS-ZDUSSCGKSA-N 2 2 291.399 0.237 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CC3CCC2CC3)CC1 ZINC000334698227 354926704 /nfs/dbraw/zinc/92/67/04/354926704.db2.gz ACTJFIOWHMYAFP-JXQTWKCFSA-N 2 2 265.401 0.929 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)CCc2[nH]cc[nH+]2)CC[N@H+]1C ZINC000335859345 355030013 /nfs/dbraw/zinc/03/00/13/355030013.db2.gz YAQWFMKMMXIUTF-MNOVXSKESA-N 2 2 250.346 0.893 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)CCc2[nH]cc[nH+]2)CC[N@@H+]1C ZINC000335859345 355030017 /nfs/dbraw/zinc/03/00/17/355030017.db2.gz YAQWFMKMMXIUTF-MNOVXSKESA-N 2 2 250.346 0.893 20 0 CCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC000352808318 283071350 /nfs/dbraw/zinc/07/13/50/283071350.db2.gz ZUYQXOBGBMHGMB-MGPQQGTHSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC000352808318 283071351 /nfs/dbraw/zinc/07/13/51/283071351.db2.gz ZUYQXOBGBMHGMB-MGPQQGTHSA-N 2 2 288.395 0.998 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C2([NH3+])CCC2)C[C@H](C)O1 ZINC000423764830 235066043 /nfs/dbraw/zinc/06/60/43/235066043.db2.gz SPCMDCJBWLFQNQ-TXEJJXNPSA-N 2 2 269.389 0.435 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C2([NH3+])CCC2)C[C@H](C)O1 ZINC000423764830 235066046 /nfs/dbraw/zinc/06/60/46/235066046.db2.gz SPCMDCJBWLFQNQ-TXEJJXNPSA-N 2 2 269.389 0.435 20 0 CCADLP C[N@@H+]1CCCC12CC[NH+](CC(=O)N1CCC1)CC2 ZINC000335990325 355068002 /nfs/dbraw/zinc/06/80/02/355068002.db2.gz FQHBGDICNNUIPR-UHFFFAOYSA-N 2 2 251.374 0.779 20 0 CCADLP C[N@H+]1CCCC12CC[NH+](CC(=O)N1CCC1)CC2 ZINC000335990325 355068005 /nfs/dbraw/zinc/06/80/05/355068005.db2.gz FQHBGDICNNUIPR-UHFFFAOYSA-N 2 2 251.374 0.779 20 0 CCADLP C[C@@H](O)CCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000336788289 355160270 /nfs/dbraw/zinc/16/02/70/355160270.db2.gz GVSXGJMLMVVJFL-ZIAGYGMSSA-N 2 2 256.390 0.802 20 0 CCADLP C[C@@H](O)CCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000336788289 355160272 /nfs/dbraw/zinc/16/02/72/355160272.db2.gz GVSXGJMLMVVJFL-ZIAGYGMSSA-N 2 2 256.390 0.802 20 0 CCADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1cnn(C)c1 ZINC000336791766 355165050 /nfs/dbraw/zinc/16/50/50/355165050.db2.gz OYJSTTZTQMYBDM-GXFFZTMASA-N 2 2 252.362 0.526 20 0 CCADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1cnn(C)c1 ZINC000336791766 355165055 /nfs/dbraw/zinc/16/50/55/355165055.db2.gz OYJSTTZTQMYBDM-GXFFZTMASA-N 2 2 252.362 0.526 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CC2(O)CCC2)CC1 ZINC000336737079 355155718 /nfs/dbraw/zinc/15/57/18/355155718.db2.gz ZMEXCKZRIZKYNO-UHFFFAOYSA-N 2 2 250.346 0.457 20 0 CCADLP C[C@H]1CC[C@@H](C[NH+]2CCC([N@H+](C)CCO)CC2)O1 ZINC000336783684 355156755 /nfs/dbraw/zinc/15/67/55/355156755.db2.gz FFBYELDDQBQTHF-JSGCOSHPSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@H]1CC[C@@H](C[NH+]2CCC([N@@H+](C)CCO)CC2)O1 ZINC000336783684 355156756 /nfs/dbraw/zinc/15/67/56/355156756.db2.gz FFBYELDDQBQTHF-JSGCOSHPSA-N 2 2 256.390 0.942 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)CCN1CCCS1(=O)=O ZINC000336798520 355171646 /nfs/dbraw/zinc/17/16/46/355171646.db2.gz FFURVMSOZARSOC-UHFFFAOYSA-N 2 2 286.401 0.241 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)CCN1CCCS1(=O)=O ZINC000336798520 355171648 /nfs/dbraw/zinc/17/16/48/355171648.db2.gz FFURVMSOZARSOC-UHFFFAOYSA-N 2 2 286.401 0.241 20 0 CCADLP Cn1cc[nH+]c1CN1CC[NH+](CC2(C)COC2)CC1 ZINC000336800497 355174615 /nfs/dbraw/zinc/17/46/15/355174615.db2.gz MKMKMWZXWXELRB-UHFFFAOYSA-N 2 2 264.373 0.574 20 0 CCADLP CC[NH+]1CCC([N@H+](C)CCN2CCCS2(=O)=O)CC1 ZINC000336800874 355175933 /nfs/dbraw/zinc/17/59/33/355175933.db2.gz NZNBZWBOKPWNLY-UHFFFAOYSA-N 2 2 289.445 0.438 20 0 CCADLP CC[NH+]1CCC([N@@H+](C)CCN2CCCS2(=O)=O)CC1 ZINC000336800874 355175937 /nfs/dbraw/zinc/17/59/37/355175937.db2.gz NZNBZWBOKPWNLY-UHFFFAOYSA-N 2 2 289.445 0.438 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000336801273 355176016 /nfs/dbraw/zinc/17/60/16/355176016.db2.gz PLMOTAYKUBUFOD-UHFFFAOYSA-N 2 2 267.417 0.879 20 0 CCADLP C(C[NH+]1CCC([NH+]2CCCC2)CC1)N1CCOCC1 ZINC000336801273 355176019 /nfs/dbraw/zinc/17/60/19/355176019.db2.gz PLMOTAYKUBUFOD-UHFFFAOYSA-N 2 2 267.417 0.879 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000336801837 355177128 /nfs/dbraw/zinc/17/71/28/355177128.db2.gz RMDOBOHPXHERBE-HNNXBMFYSA-N 2 2 267.417 0.879 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC000336807273 355182724 /nfs/dbraw/zinc/18/27/24/355182724.db2.gz IAXKJVVVETUAPP-GFCCVEGCSA-N 2 2 266.389 0.949 20 0 CCADLP [NH3+]CC1(CC(=O)NC[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000424199748 235175466 /nfs/dbraw/zinc/17/54/66/235175466.db2.gz ZFUPCISEOLOXSU-SECBINFHSA-N 2 2 261.316 0.476 20 0 CCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@H]1C[C@H](F)C[NH2+]1 ZINC000424197869 235175519 /nfs/dbraw/zinc/17/55/19/235175519.db2.gz XJQDYRQBZBYATB-XHNCKOQMSA-N 2 2 265.279 0.047 20 0 CCADLP O=C(CC[C@H]1CCC[NH2+]1)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424197790 235176016 /nfs/dbraw/zinc/17/60/16/235176016.db2.gz WZJGKHIMNTWELV-WDEREUQCSA-N 2 2 275.343 0.880 20 0 CCADLP C[C@@H]1C[N@@H+](C2CCN(CC[NH+]3CCOCC3)CC2)CCO1 ZINC000336832829 355205924 /nfs/dbraw/zinc/20/59/24/355205924.db2.gz BKDDWCJTUZVTEQ-OAHLLOKOSA-N 2 2 297.443 0.504 20 0 CCADLP C[C@@H]1C[N@H+](C2CCN(CC[NH+]3CCOCC3)CC2)CCO1 ZINC000336832829 355205927 /nfs/dbraw/zinc/20/59/27/355205927.db2.gz BKDDWCJTUZVTEQ-OAHLLOKOSA-N 2 2 297.443 0.504 20 0 CCADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)NC[C@H]1CCCO1 ZINC000424277703 235192037 /nfs/dbraw/zinc/19/20/37/235192037.db2.gz AROQUUCTBHADCE-UMSGYPCISA-N 2 2 269.389 0.530 20 0 CCADLP Cc1cc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])no1 ZINC000424336275 235198121 /nfs/dbraw/zinc/19/81/21/235198121.db2.gz PXHMPEYJEKMZQL-NXEZZACHSA-N 2 2 252.318 0.203 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000338328269 355322869 /nfs/dbraw/zinc/32/28/69/355322869.db2.gz ZVBPHHNKCVVGEU-WCQYABFASA-N 2 2 289.445 0.198 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000338328269 355322871 /nfs/dbraw/zinc/32/28/71/355322871.db2.gz ZVBPHHNKCVVGEU-WCQYABFASA-N 2 2 289.445 0.198 20 0 CCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccncc1F ZINC000338343159 355326593 /nfs/dbraw/zinc/32/65/93/355326593.db2.gz LWCKFBVYXCLIOM-NSHDSACASA-N 2 2 280.347 0.645 20 0 CCADLP NC(=O)NC(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000558657239 291066037 /nfs/dbraw/zinc/06/60/37/291066037.db2.gz OQFIFDONOAWVAC-ZDUSSCGKSA-N 2 2 290.367 0.436 20 0 CCADLP NC(=O)NC(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000558657239 291066038 /nfs/dbraw/zinc/06/60/38/291066038.db2.gz OQFIFDONOAWVAC-ZDUSSCGKSA-N 2 2 290.367 0.436 20 0 CCADLP CO[C@@H](C[N@H+](C)C1CC[NH+](CCO)CC1)C1CC1 ZINC000425392430 235291706 /nfs/dbraw/zinc/29/17/06/235291706.db2.gz GUFLZIHGVKGFCT-AWEZNQCLSA-N 2 2 256.390 0.800 20 0 CCADLP CO[C@@H](C[N@@H+](C)C1CC[NH+](CCO)CC1)C1CC1 ZINC000425392430 235291709 /nfs/dbraw/zinc/29/17/09/235291709.db2.gz GUFLZIHGVKGFCT-AWEZNQCLSA-N 2 2 256.390 0.800 20 0 CCADLP CO[C@H](C[NH+]1CCN(c2[nH+]ccn2C)CC1)C1CC1 ZINC000425426858 235295221 /nfs/dbraw/zinc/29/52/21/235295221.db2.gz WZTWDYSUPGGICE-CYBMUJFWSA-N 2 2 264.373 0.967 20 0 CCADLP COC(=O)c1cn(CC[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)nn1 ZINC000341253907 355640756 /nfs/dbraw/zinc/64/07/56/355640756.db2.gz NKMXYUCDVZOSJA-QWRGUYRKSA-N 2 2 293.371 0.280 20 0 CCADLP COC(=O)c1cn(CC[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)nn1 ZINC000341253907 355640758 /nfs/dbraw/zinc/64/07/58/355640758.db2.gz NKMXYUCDVZOSJA-QWRGUYRKSA-N 2 2 293.371 0.280 20 0 CCADLP CC[C@H](COC)[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000341331966 355654377 /nfs/dbraw/zinc/65/43/77/355654377.db2.gz RBXQPWRHZXNZJC-OLZOCXBDSA-N 2 2 294.399 0.926 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CC[NH2+]CC1(F)F)[NH+]1CCOCC1 ZINC000342765168 355741065 /nfs/dbraw/zinc/74/10/65/355741065.db2.gz MJXOYMSHOWTYSI-GHMZBOCLSA-N 2 2 291.342 0.068 20 0 CCADLP O=C(C[C@@H]1CCC[NH2+]CC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000427275072 235357927 /nfs/dbraw/zinc/35/79/27/235357927.db2.gz OMUMMQJEGVMIJG-HUUCEWRRSA-N 2 2 295.427 0.699 20 0 CCADLP O=C(CCCC[NH+]1CCOCC1)NCCc1[nH]cc[nH+]1 ZINC000345332262 355800731 /nfs/dbraw/zinc/80/07/31/355800731.db2.gz TUYWPKRMBROJHS-UHFFFAOYSA-N 2 2 280.372 0.571 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428042109 235393194 /nfs/dbraw/zinc/39/31/94/235393194.db2.gz LCEKKWZUKHAJIS-CKYFFXLPSA-N 2 2 280.372 0.047 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428042109 235393196 /nfs/dbraw/zinc/39/31/96/235393196.db2.gz LCEKKWZUKHAJIS-CKYFFXLPSA-N 2 2 280.372 0.047 20 0 CCADLP OC[C@@H](O)C[N@H+](CCC(F)(F)F)C[C@@H]1CCC[NH2+]C1 ZINC000346994280 355875414 /nfs/dbraw/zinc/87/54/14/355875414.db2.gz WLLASAGHYGTXDP-MNOVXSKESA-N 2 2 284.322 0.594 20 0 CCADLP OC[C@@H](O)C[N@@H+](CCC(F)(F)F)C[C@@H]1CCC[NH2+]C1 ZINC000346994280 355875417 /nfs/dbraw/zinc/87/54/17/355875417.db2.gz WLLASAGHYGTXDP-MNOVXSKESA-N 2 2 284.322 0.594 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000347722908 355881842 /nfs/dbraw/zinc/88/18/42/355881842.db2.gz PAKDUWLMXWEEGM-RISCZKNCSA-N 2 2 297.424 0.416 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000347722908 355881845 /nfs/dbraw/zinc/88/18/45/355881845.db2.gz PAKDUWLMXWEEGM-RISCZKNCSA-N 2 2 297.424 0.416 20 0 CCADLP O=S1(=O)CC[C@H]2C[N@H+](CCCn3cc[nH+]c3)C[C@H]21 ZINC000352976999 356124959 /nfs/dbraw/zinc/12/49/59/356124959.db2.gz MZHZZDNQHVCASR-NWDGAFQWSA-N 2 2 269.370 0.392 20 0 CCADLP O=S1(=O)CC[C@H]2C[N@@H+](CCCn3cc[nH+]c3)C[C@H]21 ZINC000352976999 356124962 /nfs/dbraw/zinc/12/49/62/356124962.db2.gz MZHZZDNQHVCASR-NWDGAFQWSA-N 2 2 269.370 0.392 20 0 CCADLP C[N@H+](CCNC(=O)NCC[NH+]1CCOCC1(C)C)C1CC1 ZINC000352738676 356067545 /nfs/dbraw/zinc/06/75/45/356067545.db2.gz JXRLGTRYWSFRHT-UHFFFAOYSA-N 2 2 298.431 0.491 20 0 CCADLP C[N@@H+](CCNC(=O)NCC[NH+]1CCOCC1(C)C)C1CC1 ZINC000352738676 356067546 /nfs/dbraw/zinc/06/75/46/356067546.db2.gz JXRLGTRYWSFRHT-UHFFFAOYSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+](CCNC(=O)NCC[N@@H+]1CCOCC1(C)C)C1CC1 ZINC000352738676 356067548 /nfs/dbraw/zinc/06/75/48/356067548.db2.gz JXRLGTRYWSFRHT-UHFFFAOYSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+](CCNC(=O)NCC[N@H+]1CCOCC1(C)C)C1CC1 ZINC000352738676 356067550 /nfs/dbraw/zinc/06/75/50/356067550.db2.gz JXRLGTRYWSFRHT-UHFFFAOYSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H](C(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C)N1CC[NH+](C)CC1 ZINC000352782162 356079383 /nfs/dbraw/zinc/07/93/83/356079383.db2.gz UKUUNIVTRCLWQU-RDBSUJKOSA-N 2 2 282.432 0.173 20 0 CCADLP C[C@@H](C(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C)N1CC[NH+](C)CC1 ZINC000352782162 356079388 /nfs/dbraw/zinc/07/93/88/356079388.db2.gz UKUUNIVTRCLWQU-RDBSUJKOSA-N 2 2 282.432 0.173 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)NCCOCC[NH+](C)C ZINC000352882165 356103105 /nfs/dbraw/zinc/10/31/05/356103105.db2.gz HRCOVELUIIHPHG-UHFFFAOYSA-N 2 2 266.345 0.512 20 0 CCADLP COc1cc2c(cc1C[NH2+]C[C@@](C)(O)C[NH+](C)C)OCO2 ZINC000353175623 356170254 /nfs/dbraw/zinc/17/02/54/356170254.db2.gz XASBDTARWYVBFJ-OAHLLOKOSA-N 2 2 296.367 0.826 20 0 CCADLP COC(=O)c1ccc(C[N@H+](C)C2CC[NH+](CCO)CC2)o1 ZINC000353364358 356210242 /nfs/dbraw/zinc/21/02/42/356210242.db2.gz NUMXZICQWAIUHY-UHFFFAOYSA-N 2 2 296.367 0.955 20 0 CCADLP COC(=O)c1ccc(C[N@@H+](C)C2CC[NH+](CCO)CC2)o1 ZINC000353364358 356210245 /nfs/dbraw/zinc/21/02/45/356210245.db2.gz NUMXZICQWAIUHY-UHFFFAOYSA-N 2 2 296.367 0.955 20 0 CCADLP C[N@H+](Cc1cccc(C(N)=O)c1)C1CC[NH+](CCO)CC1 ZINC000353362622 356210317 /nfs/dbraw/zinc/21/03/17/356210317.db2.gz ZRFZFYXMPCKOQY-UHFFFAOYSA-N 2 2 291.395 0.674 20 0 CCADLP C[N@@H+](Cc1cccc(C(N)=O)c1)C1CC[NH+](CCO)CC1 ZINC000353362622 356210318 /nfs/dbraw/zinc/21/03/18/356210318.db2.gz ZRFZFYXMPCKOQY-UHFFFAOYSA-N 2 2 291.395 0.674 20 0 CCADLP CO[C@H](C[NH3+])C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000353467629 356230329 /nfs/dbraw/zinc/23/03/29/356230329.db2.gz MJPQRDWMTGWSFA-SNVBAGLBSA-N 2 2 282.731 0.578 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000360565525 138000799 /nfs/dbraw/zinc/00/07/99/138000799.db2.gz VAZCPEUTRUACNL-MRXNPFEDSA-N 3 2 294.443 0.272 20 0 CCADLP CC[C@@H](C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)OC ZINC000353561615 356250163 /nfs/dbraw/zinc/25/01/63/356250163.db2.gz QPQJDMPPTIAWJL-INIZCTEOSA-N 2 2 299.459 0.798 20 0 CCADLP CC[C@@H](C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1)OC ZINC000353561615 356250167 /nfs/dbraw/zinc/25/01/67/356250167.db2.gz QPQJDMPPTIAWJL-INIZCTEOSA-N 2 2 299.459 0.798 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000353579460 356253123 /nfs/dbraw/zinc/25/31/23/356253123.db2.gz PRTJLSACIWISNJ-NEPJUHHUSA-N 2 2 257.378 0.197 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000353579460 356253125 /nfs/dbraw/zinc/25/31/25/356253125.db2.gz PRTJLSACIWISNJ-NEPJUHHUSA-N 2 2 257.378 0.197 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000353580939 356253588 /nfs/dbraw/zinc/25/35/88/356253588.db2.gz VFVQBQJYWNRVQC-DGCLKSJQSA-N 2 2 257.378 0.341 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000353580939 356253592 /nfs/dbraw/zinc/25/35/92/356253592.db2.gz VFVQBQJYWNRVQC-DGCLKSJQSA-N 2 2 257.378 0.341 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+][C@H](CO)C2CCOCC2)[C@@H](C)C1 ZINC000360813987 138011856 /nfs/dbraw/zinc/01/18/56/138011856.db2.gz IVCFBVKCPUSPGO-FPMFFAJLSA-N 2 2 256.390 0.704 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+][C@H](CO)C2CCOCC2)[C@@H](C)C1 ZINC000360813987 138011857 /nfs/dbraw/zinc/01/18/57/138011857.db2.gz IVCFBVKCPUSPGO-FPMFFAJLSA-N 2 2 256.390 0.704 20 0 CCADLP CCCC[C@@H]([NH3+])C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000353666560 356269189 /nfs/dbraw/zinc/26/91/89/356269189.db2.gz BQLPUDHKSGTREF-GFCCVEGCSA-N 2 2 279.388 0.571 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000353675861 356271497 /nfs/dbraw/zinc/27/14/97/356271497.db2.gz FYIPUNHGBGAPHA-STQMWFEESA-N 2 2 269.389 0.339 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000353675861 356271500 /nfs/dbraw/zinc/27/15/00/356271500.db2.gz FYIPUNHGBGAPHA-STQMWFEESA-N 2 2 269.389 0.339 20 0 CCADLP COCC[C@H](C)[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000360892750 138014866 /nfs/dbraw/zinc/01/48/66/138014866.db2.gz XJOSNZPDBQIYCK-STQMWFEESA-N 2 2 294.399 0.926 20 0 CCADLP C[C@@H](CC[NH+]1CCOCC1)NC(=O)CCc1[nH]cc[nH+]1 ZINC000353759282 356288130 /nfs/dbraw/zinc/28/81/30/356288130.db2.gz MQQRDYAFCYMMAM-LBPRGKRZSA-N 2 2 280.372 0.569 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccnnc3)C2)CC1 ZINC000361168138 138023724 /nfs/dbraw/zinc/02/37/24/138023724.db2.gz NEGZILADONHBBX-CYBMUJFWSA-N 2 2 289.383 0.375 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccnnc3)C2)CC1 ZINC000361168138 138023725 /nfs/dbraw/zinc/02/37/25/138023725.db2.gz NEGZILADONHBBX-CYBMUJFWSA-N 2 2 289.383 0.375 20 0 CCADLP COC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)C1CC1 ZINC000361220055 138025926 /nfs/dbraw/zinc/02/59/26/138025926.db2.gz IIMNACTYCAWDRE-QWHCGFSZSA-N 2 2 269.389 0.341 20 0 CCADLP COC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)C1CC1 ZINC000361220055 138025927 /nfs/dbraw/zinc/02/59/27/138025927.db2.gz IIMNACTYCAWDRE-QWHCGFSZSA-N 2 2 269.389 0.341 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCCCOC)C[C@@H]1C ZINC000362184985 138049645 /nfs/dbraw/zinc/04/96/45/138049645.db2.gz UWVPNBBLAUEVRU-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCCCOC)C[C@@H]1C ZINC000362184985 138049646 /nfs/dbraw/zinc/04/96/46/138049646.db2.gz UWVPNBBLAUEVRU-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCCCOC)C[C@@H]1C ZINC000362184985 138049647 /nfs/dbraw/zinc/04/96/47/138049647.db2.gz UWVPNBBLAUEVRU-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCCCOC)C[C@@H]1C ZINC000362184985 138049648 /nfs/dbraw/zinc/04/96/48/138049648.db2.gz UWVPNBBLAUEVRU-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCCC(=O)OC)C[C@@H]1C ZINC000354220382 356369176 /nfs/dbraw/zinc/36/91/76/356369176.db2.gz GYTKODAKENXEOD-QWHCGFSZSA-N 2 2 299.415 0.470 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCCC(=O)OC)C[C@@H]1C ZINC000354220382 356369180 /nfs/dbraw/zinc/36/91/80/356369180.db2.gz GYTKODAKENXEOD-QWHCGFSZSA-N 2 2 299.415 0.470 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCCC(=O)OC)C[C@@H]1C ZINC000354220382 356369184 /nfs/dbraw/zinc/36/91/84/356369184.db2.gz GYTKODAKENXEOD-QWHCGFSZSA-N 2 2 299.415 0.470 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCCC(=O)OC)C[C@@H]1C ZINC000354220382 356369187 /nfs/dbraw/zinc/36/91/87/356369187.db2.gz GYTKODAKENXEOD-QWHCGFSZSA-N 2 2 299.415 0.470 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CCc2cccnc2)C1 ZINC000362826815 138075961 /nfs/dbraw/zinc/07/59/61/138075961.db2.gz PWCZOPJBRHHRPQ-OAHLLOKOSA-N 2 2 288.395 0.520 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CCc2cccnc2)C1 ZINC000362826815 138075962 /nfs/dbraw/zinc/07/59/62/138075962.db2.gz PWCZOPJBRHHRPQ-OAHLLOKOSA-N 2 2 288.395 0.520 20 0 CCADLP Cc1ccc(CCC[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c[nH+]1 ZINC000354663660 356468354 /nfs/dbraw/zinc/46/83/54/356468354.db2.gz XYKJPCVDVWWOJN-OAHLLOKOSA-N 3 2 263.385 0.979 20 0 CCADLP Cc1ccc(CCC[NH2+]C[C@]2(O)CC[N@H+](C)C2)c[nH+]1 ZINC000354663660 356468360 /nfs/dbraw/zinc/46/83/60/356468360.db2.gz XYKJPCVDVWWOJN-OAHLLOKOSA-N 3 2 263.385 0.979 20 0 CCADLP CC(C)OCCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000357330566 535325283 /nfs/dbraw/zinc/32/52/83/535325283.db2.gz HGRQUEGCTYVWNR-UHFFFAOYSA-N 2 2 271.405 0.507 20 0 CCADLP CC(C)OCCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000357330566 535325288 /nfs/dbraw/zinc/32/52/88/535325288.db2.gz HGRQUEGCTYVWNR-UHFFFAOYSA-N 2 2 271.405 0.507 20 0 CCADLP CC[C@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)c1[nH]cc[nH+]1 ZINC000356118009 356706531 /nfs/dbraw/zinc/70/65/31/356706531.db2.gz DRWLCADGCAHQFP-QWRGUYRKSA-N 2 2 266.345 0.698 20 0 CCADLP CC[C@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)c1[nH]cc[nH+]1 ZINC000356118009 356706534 /nfs/dbraw/zinc/70/65/34/356706534.db2.gz DRWLCADGCAHQFP-QWRGUYRKSA-N 2 2 266.345 0.698 20 0 CCADLP O=C(NCCNc1cc[nH+]cc1)NCCn1cc[nH+]c1 ZINC000356123990 356707992 /nfs/dbraw/zinc/70/79/92/356707992.db2.gz JMAFEYLOQLEACA-UHFFFAOYSA-N 2 2 274.328 0.111 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000356263203 356735463 /nfs/dbraw/zinc/73/54/63/356735463.db2.gz GUIIVQHDKMOBSQ-ZDUSSCGKSA-N 2 2 286.420 0.347 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000356263203 356735467 /nfs/dbraw/zinc/73/54/67/356735467.db2.gz GUIIVQHDKMOBSQ-ZDUSSCGKSA-N 2 2 286.420 0.347 20 0 CCADLP CC(C)[NH+](C)CCNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000356263203 356735469 /nfs/dbraw/zinc/73/54/69/356735469.db2.gz GUIIVQHDKMOBSQ-ZDUSSCGKSA-N 2 2 286.420 0.347 20 0 CCADLP CC(C)[NH+](C)CCNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000356263203 356735471 /nfs/dbraw/zinc/73/54/71/356735471.db2.gz GUIIVQHDKMOBSQ-ZDUSSCGKSA-N 2 2 286.420 0.347 20 0 CCADLP CC[C@@H](C(=O)OC)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357721876 356772331 /nfs/dbraw/zinc/77/23/31/356772331.db2.gz OPEGIIZWIIUAHV-LBPRGKRZSA-N 2 2 258.362 0.327 20 0 CCADLP CC[C@@H](C(=O)OC)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357721876 356772333 /nfs/dbraw/zinc/77/23/33/356772333.db2.gz OPEGIIZWIIUAHV-LBPRGKRZSA-N 2 2 258.362 0.327 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000619900372 366379925 /nfs/dbraw/zinc/37/99/25/366379925.db2.gz ZTXPRNISAVPUHY-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000619900372 366379933 /nfs/dbraw/zinc/37/99/33/366379933.db2.gz ZTXPRNISAVPUHY-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359274877 356790983 /nfs/dbraw/zinc/79/09/83/356790983.db2.gz KSOTXJVKLYRTDB-OKILXGFUSA-N 2 2 283.416 0.317 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359274877 356790987 /nfs/dbraw/zinc/79/09/87/356790987.db2.gz KSOTXJVKLYRTDB-OKILXGFUSA-N 2 2 283.416 0.317 20 0 CCADLP C[C@@H](C(=O)NCc1ccc(F)cc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359298112 356797258 /nfs/dbraw/zinc/79/72/58/356797258.db2.gz ZCOOTSRHIODSHZ-FPMFFAJLSA-N 2 2 291.370 0.982 20 0 CCADLP C[C@@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359298112 356797262 /nfs/dbraw/zinc/79/72/62/356797262.db2.gz ZCOOTSRHIODSHZ-FPMFFAJLSA-N 2 2 291.370 0.982 20 0 CCADLP C[C@@H](C(=O)NCCc1ccccc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359309746 356800100 /nfs/dbraw/zinc/80/01/00/356800100.db2.gz RVOLKRMMOWFBAJ-CWRNSKLLSA-N 2 2 287.407 0.885 20 0 CCADLP C[C@@H](C(=O)NCCc1ccccc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359309746 356800106 /nfs/dbraw/zinc/80/01/06/356800106.db2.gz RVOLKRMMOWFBAJ-CWRNSKLLSA-N 2 2 287.407 0.885 20 0 CCADLP CN(C)c1ncc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)s1 ZINC000359454799 356824667 /nfs/dbraw/zinc/82/46/67/356824667.db2.gz IJKXVEJBLJMKET-UWVGGRQHSA-N 2 2 252.387 0.860 20 0 CCADLP COCC[N@H+](C)CCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655688795 412645775 /nfs/dbraw/zinc/64/57/75/412645775.db2.gz IQHHNXMXUYYEQG-MRXNPFEDSA-N 3 2 299.459 0.798 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655688795 412645779 /nfs/dbraw/zinc/64/57/79/412645779.db2.gz IQHHNXMXUYYEQG-MRXNPFEDSA-N 3 2 299.459 0.798 20 0 CCADLP C[N@H+](CCN1C(=O)NC2(CCCC2)C1=O)[C@H](C[NH3+])C1CC1 ZINC000360002131 356932613 /nfs/dbraw/zinc/93/26/13/356932613.db2.gz RKXMOCMLJXRPLC-GFCCVEGCSA-N 2 2 294.399 0.520 20 0 CCADLP C[N@@H+](CCN1C(=O)NC2(CCCC2)C1=O)[C@H](C[NH3+])C1CC1 ZINC000360002131 356932617 /nfs/dbraw/zinc/93/26/17/356932617.db2.gz RKXMOCMLJXRPLC-GFCCVEGCSA-N 2 2 294.399 0.520 20 0 CCADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2nccs2)CC1 ZINC000360002106 356932984 /nfs/dbraw/zinc/93/29/84/356932984.db2.gz XRAGHKPGMGFJCM-UHFFFAOYSA-N 2 2 297.424 0.802 20 0 CCADLP CC(C)(O)CC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000360010970 356935583 /nfs/dbraw/zinc/93/55/83/356935583.db2.gz KQBWLJYHBRXCBC-UHFFFAOYSA-N 2 2 299.459 0.534 20 0 CCADLP CC(C)(O)CC[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000360010970 356935586 /nfs/dbraw/zinc/93/55/86/356935586.db2.gz KQBWLJYHBRXCBC-UHFFFAOYSA-N 2 2 299.459 0.534 20 0 CCADLP O[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(F)(F)F ZINC000655698881 412648204 /nfs/dbraw/zinc/64/82/04/412648204.db2.gz YSVOPEHVPGGTIM-MNOVXSKESA-N 2 2 282.306 0.753 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360553048 357039607 /nfs/dbraw/zinc/03/96/07/357039607.db2.gz QIXDLMRMCVZLGD-CYBMUJFWSA-N 2 2 274.430 0.885 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360553048 357039610 /nfs/dbraw/zinc/03/96/10/357039610.db2.gz QIXDLMRMCVZLGD-CYBMUJFWSA-N 2 2 274.430 0.885 20 0 CCADLP COCCCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364232307 357100215 /nfs/dbraw/zinc/10/02/15/357100215.db2.gz XTKCYZDDPLBSSW-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP COCCCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364232307 357100219 /nfs/dbraw/zinc/10/02/19/357100219.db2.gz XTKCYZDDPLBSSW-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC3CC3)C2)CC1 ZINC000365261074 357138146 /nfs/dbraw/zinc/13/81/46/357138146.db2.gz VEXAIHRGLBYABK-ZDUSSCGKSA-N 2 2 280.416 0.864 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC3CC3)C2)CC1 ZINC000365261074 357138148 /nfs/dbraw/zinc/13/81/48/357138148.db2.gz VEXAIHRGLBYABK-ZDUSSCGKSA-N 2 2 280.416 0.864 20 0 CCADLP C[C@H](CCCO)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655722795 412651871 /nfs/dbraw/zinc/65/18/71/412651871.db2.gz IODKPBHULOBJEJ-TZMCWYRMSA-N 2 2 256.390 0.990 20 0 CCADLP O=C1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CN1C1CC1 ZINC000655730426 412652445 /nfs/dbraw/zinc/65/24/45/412652445.db2.gz JLWJAOXPQMXISF-ZFWWWQNUSA-N 2 2 293.411 0.593 20 0 CCADLP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655736792 412654672 /nfs/dbraw/zinc/65/46/72/412654672.db2.gz SFSXXTSSIGIYMY-RRFJBIMHSA-N 2 2 295.427 0.744 20 0 CCADLP Cn1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)nn1 ZINC000655752238 412653709 /nfs/dbraw/zinc/65/37/09/412653709.db2.gz WBHRZFXFAFQKOK-CQSZACIVSA-N 2 2 279.388 0.548 20 0 CCADLP [NH3+]Cc1cc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)co1 ZINC000375978136 357422314 /nfs/dbraw/zinc/42/23/14/357422314.db2.gz WUWKQUCLVKSABG-KBPBESRZSA-N 2 2 293.367 0.410 20 0 CCADLP CC[C@](C)(CO)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655747650 412654411 /nfs/dbraw/zinc/65/44/11/412654411.db2.gz IMYQFQLLNNZXAR-UONOGXRCSA-N 2 2 256.390 0.990 20 0 CCADLP CC[N@H+](CC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)C1CC1 ZINC000376217145 357446474 /nfs/dbraw/zinc/44/64/74/357446474.db2.gz CSFWEEOAILOLEQ-DZGCQCFKSA-N 2 2 295.427 0.792 20 0 CCADLP CC[N@@H+](CC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)C1CC1 ZINC000376217145 357446478 /nfs/dbraw/zinc/44/64/78/357446478.db2.gz CSFWEEOAILOLEQ-DZGCQCFKSA-N 2 2 295.427 0.792 20 0 CCADLP CC1(C)[C@H](O)C[C@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655756748 412656270 /nfs/dbraw/zinc/65/62/70/412656270.db2.gz XGKYLJHIXNBDMV-BFHYXJOUSA-N 2 2 268.401 0.989 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)CC1 ZINC000377666865 357601914 /nfs/dbraw/zinc/60/19/14/357601914.db2.gz CKBZIEWSEMEQRA-UKRRQHHQSA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)CC1 ZINC000377666865 357601915 /nfs/dbraw/zinc/60/19/15/357601915.db2.gz CKBZIEWSEMEQRA-UKRRQHHQSA-N 2 2 295.427 0.650 20 0 CCADLP O=C([C@H]1CCCN(c2cccc[nH+]2)C1)N1CC[NH2+]CC1 ZINC000378180687 357655084 /nfs/dbraw/zinc/65/50/84/357655084.db2.gz BPBINIGFADKCJV-ZDUSSCGKSA-N 2 2 274.368 0.730 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000377942689 357632100 /nfs/dbraw/zinc/63/21/00/357632100.db2.gz CIQGABJGXVGMEK-UONOGXRCSA-N 2 2 292.383 0.767 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000377942689 357632105 /nfs/dbraw/zinc/63/21/05/357632105.db2.gz CIQGABJGXVGMEK-UONOGXRCSA-N 2 2 292.383 0.767 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000385929012 357728584 /nfs/dbraw/zinc/72/85/84/357728584.db2.gz KNDBNZWQJHQOAC-ZJUUUORDSA-N 2 2 270.295 0.298 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000385929012 357728588 /nfs/dbraw/zinc/72/85/88/357728588.db2.gz KNDBNZWQJHQOAC-ZJUUUORDSA-N 2 2 270.295 0.298 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000385929012 357728591 /nfs/dbraw/zinc/72/85/91/357728591.db2.gz KNDBNZWQJHQOAC-ZJUUUORDSA-N 2 2 270.295 0.298 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000385929012 357728595 /nfs/dbraw/zinc/72/85/95/357728595.db2.gz KNDBNZWQJHQOAC-ZJUUUORDSA-N 2 2 270.295 0.298 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)NCCC1CC[NH+](C)CC1 ZINC000378439882 357681421 /nfs/dbraw/zinc/68/14/21/357681421.db2.gz WPCNJRHDWIABIX-AWEZNQCLSA-N 2 2 283.416 0.555 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)NCCC1CC[NH+](C)CC1 ZINC000378439882 357681427 /nfs/dbraw/zinc/68/14/27/357681427.db2.gz WPCNJRHDWIABIX-AWEZNQCLSA-N 2 2 283.416 0.555 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)s1 ZINC000392033639 357748159 /nfs/dbraw/zinc/74/81/59/357748159.db2.gz IUWPIVSGCSXPHQ-VIFPVBQESA-N 2 2 283.401 0.271 20 0 CCADLP C[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCCC[NH2+]1 ZINC000400186354 357788869 /nfs/dbraw/zinc/78/88/69/357788869.db2.gz RNVQQFMAUGKJTI-QJPTWQEYSA-N 2 2 275.418 0.141 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000561203789 291120813 /nfs/dbraw/zinc/12/08/13/291120813.db2.gz YKOQCLRKJFWSLP-HZSPNIEDSA-N 2 2 281.400 0.260 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000561203789 291120815 /nfs/dbraw/zinc/12/08/15/291120815.db2.gz YKOQCLRKJFWSLP-HZSPNIEDSA-N 2 2 281.400 0.260 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@H]2CC(C)(C)OC2(C)C)[C@H](C[NH3+])C1 ZINC000561185529 291119741 /nfs/dbraw/zinc/11/97/41/291119741.db2.gz HYRZWDNQDNFOFP-NEPJUHHUSA-N 2 2 298.431 0.617 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@H]2CC(C)(C)OC2(C)C)[C@H](C[NH3+])C1 ZINC000561185529 291119743 /nfs/dbraw/zinc/11/97/43/291119743.db2.gz HYRZWDNQDNFOFP-NEPJUHHUSA-N 2 2 298.431 0.617 20 0 CCADLP C[C@H]1C[C@H](CO)C[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425367996 291124631 /nfs/dbraw/zinc/12/46/31/291124631.db2.gz JHWDHPCKSCHDFM-RYUDHWBXSA-N 2 2 266.389 0.936 20 0 CCADLP C[C@H]1C[C@H](CO)C[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425367996 291124633 /nfs/dbraw/zinc/12/46/33/291124633.db2.gz JHWDHPCKSCHDFM-RYUDHWBXSA-N 2 2 266.389 0.936 20 0 CCADLP Cc1[nH+]cc(CN(CC[NH3+])CCO)n1-c1ccccc1 ZINC000414918665 358124560 /nfs/dbraw/zinc/12/45/60/358124560.db2.gz ZBPXRDIGHCMBIU-UHFFFAOYSA-N 2 2 274.368 0.934 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000417520278 358134088 /nfs/dbraw/zinc/13/40/88/358134088.db2.gz NNWRSJBKNQJBHF-YNEHKIRRSA-N 2 2 286.420 0.250 20 0 CCADLP C[C@H](C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C)CS(C)(=O)=O ZINC000422636907 358191674 /nfs/dbraw/zinc/19/16/74/358191674.db2.gz NUDRZCPTBLDVBC-VOAKCMCISA-N 2 2 276.446 0.972 20 0 CCADLP C[C@H](C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C)CS(C)(=O)=O ZINC000422636907 358191675 /nfs/dbraw/zinc/19/16/75/358191675.db2.gz NUDRZCPTBLDVBC-VOAKCMCISA-N 2 2 276.446 0.972 20 0 CCADLP C[C@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC[NH2+]1 ZINC000422836632 358194155 /nfs/dbraw/zinc/19/41/55/358194155.db2.gz KPYXXSBSHPNAMG-GXTWGEPZSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@H]1CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC[NH2+]1 ZINC000422836632 358194159 /nfs/dbraw/zinc/19/41/59/358194159.db2.gz KPYXXSBSHPNAMG-GXTWGEPZSA-N 2 2 281.400 0.308 20 0 CCADLP CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000423306715 358197957 /nfs/dbraw/zinc/19/79/57/358197957.db2.gz UIBYKPKUKJXPRN-TUAOUCFPSA-N 2 2 260.403 0.684 20 0 CCADLP CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423246389 358198334 /nfs/dbraw/zinc/19/83/34/358198334.db2.gz ZKCYTELPBZVHII-GRYCIOLGSA-N 2 2 260.403 0.684 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000423561255 358202243 /nfs/dbraw/zinc/20/22/43/358202243.db2.gz VOGMDIKUHKQLDF-BPLDGKMQSA-N 2 2 295.427 0.602 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000423561255 358202244 /nfs/dbraw/zinc/20/22/44/358202244.db2.gz VOGMDIKUHKQLDF-BPLDGKMQSA-N 2 2 295.427 0.602 20 0 CCADLP Cn1cc(N2CC[C@H]([N@@H+]3CCC[C@@H](C[NH3+])C3)C2=O)cn1 ZINC000430647559 358228259 /nfs/dbraw/zinc/22/82/59/358228259.db2.gz GEASGRYMVSESEB-AAEUAGOBSA-N 2 2 277.372 0.196 20 0 CCADLP Cn1cc(N2CC[C@H]([N@H+]3CCC[C@@H](C[NH3+])C3)C2=O)cn1 ZINC000430647559 358228262 /nfs/dbraw/zinc/22/82/62/358228262.db2.gz GEASGRYMVSESEB-AAEUAGOBSA-N 2 2 277.372 0.196 20 0 CCADLP C[NH2+]C[C@@](C)(O)CN1CC[NH+](Cc2cccnc2)CC1 ZINC000516872351 358340625 /nfs/dbraw/zinc/34/06/25/358340625.db2.gz XHELVVJXRULHAI-OAHLLOKOSA-N 2 2 278.400 0.170 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1Cc2ccccc2NC1=O ZINC000530225548 358381902 /nfs/dbraw/zinc/38/19/02/358381902.db2.gz OJVMMOJDUPYONE-UXIGCNINSA-N 2 2 289.379 0.906 20 0 CCADLP CCn1nncc1C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000530207063 358378907 /nfs/dbraw/zinc/37/89/07/358378907.db2.gz CTJHJXSDXJWOBA-QWRGUYRKSA-N 2 2 253.350 0.155 20 0 CCADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](C/C=C/Cl)CC1 ZINC000530221506 358380524 /nfs/dbraw/zinc/38/05/24/358380524.db2.gz FIHXHAZJCIKQHY-OWOJBTEDSA-N 2 2 272.780 0.382 20 0 CCADLP O=c1[nH]c2c(cc1C[NH2+]C[C@H](O)C[NH+]1CCCC1)CCC2 ZINC000530231092 358384178 /nfs/dbraw/zinc/38/41/78/358384178.db2.gz MAZNMDYRBKOTQJ-AWEZNQCLSA-N 2 2 291.395 0.822 20 0 CCADLP C[C@@H](C[NH2+]CC1(O)CCCC1)C[NH+]1CCOCC1 ZINC000567691439 358572453 /nfs/dbraw/zinc/57/24/53/358572453.db2.gz XHXUNOXPRRLUGT-ZDUSSCGKSA-N 2 2 256.390 0.849 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCSC[C@@H]1C1CC1 ZINC000568181025 358642555 /nfs/dbraw/zinc/64/25/55/358642555.db2.gz IQWJUHVLGUDJRL-UONOGXRCSA-N 2 2 288.457 0.753 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCSC[C@@H]1C1CC1 ZINC000568181025 358642556 /nfs/dbraw/zinc/64/25/56/358642556.db2.gz IQWJUHVLGUDJRL-UONOGXRCSA-N 2 2 288.457 0.753 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000568181025 358642558 /nfs/dbraw/zinc/64/25/58/358642558.db2.gz IQWJUHVLGUDJRL-UONOGXRCSA-N 2 2 288.457 0.753 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000568181025 358642560 /nfs/dbraw/zinc/64/25/60/358642560.db2.gz IQWJUHVLGUDJRL-UONOGXRCSA-N 2 2 288.457 0.753 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000567876649 358604324 /nfs/dbraw/zinc/60/43/24/358604324.db2.gz VYTQWNPNSMSMBX-SWLSCSKDSA-N 2 2 264.369 0.376 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000567876649 358604326 /nfs/dbraw/zinc/60/43/26/358604326.db2.gz VYTQWNPNSMSMBX-SWLSCSKDSA-N 2 2 264.369 0.376 20 0 CCADLP COC(=O)c1coc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1 ZINC000562499058 291155720 /nfs/dbraw/zinc/15/57/20/291155720.db2.gz VYDDNRTXTJMQKK-IINYFYTJSA-N 2 2 282.340 0.783 20 0 CCADLP COC(=O)c1coc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000562499058 291155722 /nfs/dbraw/zinc/15/57/22/291155722.db2.gz VYDDNRTXTJMQKK-IINYFYTJSA-N 2 2 282.340 0.783 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000568181843 358643275 /nfs/dbraw/zinc/64/32/75/358643275.db2.gz AYKOGWHQFKIHEJ-VXGBXAGGSA-N 2 2 267.377 0.215 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000568181843 358643276 /nfs/dbraw/zinc/64/32/76/358643276.db2.gz AYKOGWHQFKIHEJ-VXGBXAGGSA-N 2 2 267.377 0.215 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000568181843 358643277 /nfs/dbraw/zinc/64/32/77/358643277.db2.gz AYKOGWHQFKIHEJ-VXGBXAGGSA-N 2 2 267.377 0.215 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000568181843 358643278 /nfs/dbraw/zinc/64/32/78/358643278.db2.gz AYKOGWHQFKIHEJ-VXGBXAGGSA-N 2 2 267.377 0.215 20 0 CCADLP CC(C)(C)N1CC[C@@H]([NH+]2CCN(c3[nH]cc[nH+]3)CC2)C1=O ZINC000568167838 358639927 /nfs/dbraw/zinc/63/99/27/358639927.db2.gz PGULNUZJTUTWSH-GFCCVEGCSA-N 2 2 291.399 0.931 20 0 CCADLP Cc1c[nH+]ccc1CCN1CC[NH+](C[C@H](C)O)CC1 ZINC000567781718 358586250 /nfs/dbraw/zinc/58/62/50/358586250.db2.gz NSZSRCDTILGTIW-AWEZNQCLSA-N 2 2 263.385 0.931 20 0 CCADLP CCS(=O)(=O)NCCC[NH2+]Cc1c[nH+]c(C)n1C ZINC000568414859 358674611 /nfs/dbraw/zinc/67/46/11/358674611.db2.gz XPBMNWXFABHLGY-UHFFFAOYSA-N 2 2 274.390 0.148 20 0 CCADLP [NH3+]C[C@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000568509556 358680096 /nfs/dbraw/zinc/68/00/96/358680096.db2.gz UBNBMDWYKMDYTF-LLVKDONJSA-N 2 2 286.339 0.616 20 0 CCADLP O=S1(=O)CCC[C@@H](C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000568512242 358680625 /nfs/dbraw/zinc/68/06/25/358680625.db2.gz RDXKEUXLOXMBPK-UONOGXRCSA-N 2 2 286.441 0.887 20 0 CCADLP O=S1(=O)CCC[C@@H](C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)C1 ZINC000568512242 358680629 /nfs/dbraw/zinc/68/06/29/358680629.db2.gz RDXKEUXLOXMBPK-UONOGXRCSA-N 2 2 286.441 0.887 20 0 CCADLP C[C@H](C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)[NH+]1CC(C)C1 ZINC000574050874 334988214 /nfs/dbraw/zinc/98/82/14/334988214.db2.gz BAPBXQCXWRDCEW-MELADBBJSA-N 2 2 283.416 0.552 20 0 CCADLP COc1c(N)[nH+]cnc1N[C@H](C)CN1CC[NH+](C)CC1 ZINC000568664266 358696443 /nfs/dbraw/zinc/69/64/43/358696443.db2.gz OUCPOQQBFZMQFZ-SNVBAGLBSA-N 2 2 280.376 0.115 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)Cn1cccn1 ZINC000569333759 358753566 /nfs/dbraw/zinc/75/35/66/358753566.db2.gz TYLYQGMBGFVCTR-MNOVXSKESA-N 2 2 261.329 0.114 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)Cn1cccn1 ZINC000569333759 358753569 /nfs/dbraw/zinc/75/35/69/358753569.db2.gz TYLYQGMBGFVCTR-MNOVXSKESA-N 2 2 261.329 0.114 20 0 CCADLP CC[C@H](C)[C@@H](C)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000568974741 358720283 /nfs/dbraw/zinc/72/02/83/358720283.db2.gz QPDHXQPUWWQEGF-TUAOUCFPSA-N 2 2 256.394 0.705 20 0 CCADLP CC[C@H](C)[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000568974741 358720288 /nfs/dbraw/zinc/72/02/88/358720288.db2.gz QPDHXQPUWWQEGF-TUAOUCFPSA-N 2 2 256.394 0.705 20 0 CCADLP CC[C@H](C)[C@H](C)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000568974740 358721140 /nfs/dbraw/zinc/72/11/40/358721140.db2.gz QPDHXQPUWWQEGF-SRVKXCTJSA-N 2 2 256.394 0.705 20 0 CCADLP CC[C@H](C)[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000568974740 358721146 /nfs/dbraw/zinc/72/11/46/358721146.db2.gz QPDHXQPUWWQEGF-SRVKXCTJSA-N 2 2 256.394 0.705 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000569109417 358734594 /nfs/dbraw/zinc/73/45/94/358734594.db2.gz ZNHFDRUQCLESMN-WCQYABFASA-N 3 2 252.362 0.560 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000569109417 358734597 /nfs/dbraw/zinc/73/45/97/358734597.db2.gz ZNHFDRUQCLESMN-WCQYABFASA-N 3 2 252.362 0.560 20 0 CCADLP C[N@@H+]1CCN(Cc2cccc3c2OCO3)[C@H](C[NH3+])C1 ZINC000569809918 358794261 /nfs/dbraw/zinc/79/42/61/358794261.db2.gz CAJWGIJEQBIYNC-GFCCVEGCSA-N 2 2 263.341 0.490 20 0 CCADLP C[N@H+]1CCN(Cc2cccc3c2OCO3)[C@H](C[NH3+])C1 ZINC000569809918 358794266 /nfs/dbraw/zinc/79/42/66/358794266.db2.gz CAJWGIJEQBIYNC-GFCCVEGCSA-N 2 2 263.341 0.490 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CCO1 ZINC000569930809 358806749 /nfs/dbraw/zinc/80/67/49/358806749.db2.gz MKICPPOXIAURCK-TUVASFSCSA-N 2 2 295.427 0.744 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CCO1 ZINC000569930809 358806750 /nfs/dbraw/zinc/80/67/50/358806750.db2.gz MKICPPOXIAURCK-TUVASFSCSA-N 2 2 295.427 0.744 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000570517765 358865511 /nfs/dbraw/zinc/86/55/11/358865511.db2.gz MTJGQXUQHBGYQP-RYUDHWBXSA-N 2 2 257.378 0.197 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000570517765 358865514 /nfs/dbraw/zinc/86/55/14/358865514.db2.gz MTJGQXUQHBGYQP-RYUDHWBXSA-N 2 2 257.378 0.197 20 0 CCADLP COc1cccnc1C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000573454642 358968848 /nfs/dbraw/zinc/96/88/48/358968848.db2.gz ULNRMMCSWFGHAX-VXGBXAGGSA-N 2 2 265.357 0.947 20 0 CCADLP Cc1ccccc1CCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000571183416 358921162 /nfs/dbraw/zinc/92/11/62/358921162.db2.gz YCKZEAFZNAZQGI-HNNXBMFYSA-N 2 2 290.411 0.822 20 0 CCADLP Cc1ccccc1CCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000571183416 358921164 /nfs/dbraw/zinc/92/11/64/358921164.db2.gz YCKZEAFZNAZQGI-HNNXBMFYSA-N 2 2 290.411 0.822 20 0 CCADLP O=C(NCCn1cc[nH+]c1)N1CCn2c[nH+]cc2C1 ZINC000579773176 359050738 /nfs/dbraw/zinc/05/07/38/359050738.db2.gz KWPKRCSMJMOMDJ-UHFFFAOYSA-N 2 2 260.301 0.305 20 0 CCADLP C[C@H](CC(=O)NCCCN1CC[NH+](C)CC1)n1cc[nH+]c1 ZINC000574163314 359034674 /nfs/dbraw/zinc/03/46/74/359034674.db2.gz PDGWVCWLUMUATI-CQSZACIVSA-N 2 2 293.415 0.588 20 0 CCADLP C[C@H](CC(=O)NCCC[NH+]1CCN(C)CC1)n1cc[nH+]c1 ZINC000574163314 359034680 /nfs/dbraw/zinc/03/46/80/359034680.db2.gz PDGWVCWLUMUATI-CQSZACIVSA-N 2 2 293.415 0.588 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccccc1CC[NH3+] ZINC000574167193 359034880 /nfs/dbraw/zinc/03/48/80/359034880.db2.gz CEUJFTIBXDLLCW-ZDUSSCGKSA-N 2 2 291.395 0.638 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)c1ccccc1CC[NH3+] ZINC000574167193 359034883 /nfs/dbraw/zinc/03/48/83/359034883.db2.gz CEUJFTIBXDLLCW-ZDUSSCGKSA-N 2 2 291.395 0.638 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000573684656 358990426 /nfs/dbraw/zinc/99/04/26/358990426.db2.gz NMDHKXLEIAUROA-CYBMUJFWSA-N 2 2 270.421 0.127 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCNS(=O)(=O)c1ccccc1 ZINC000580841561 359099495 /nfs/dbraw/zinc/09/94/95/359099495.db2.gz TWBOWPIOKDRZLW-OLZOCXBDSA-N 2 2 297.424 0.777 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCNS(=O)(=O)c1ccccc1 ZINC000580841561 359099499 /nfs/dbraw/zinc/09/94/99/359099499.db2.gz TWBOWPIOKDRZLW-OLZOCXBDSA-N 2 2 297.424 0.777 20 0 CCADLP C[C@H]1COCC[N@@H+]1C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000581020698 359123348 /nfs/dbraw/zinc/12/33/48/359123348.db2.gz MFRYJVKUZSTVPM-JSGCOSHPSA-N 2 2 254.374 0.960 20 0 CCADLP C[C@H]1COCC[N@H+]1C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000581020698 359123351 /nfs/dbraw/zinc/12/33/51/359123351.db2.gz MFRYJVKUZSTVPM-JSGCOSHPSA-N 2 2 254.374 0.960 20 0 CCADLP CN(C)c1ccc(CNC(=O)NCC[C@H]2CC[NH2+]C2)c[nH+]1 ZINC000582111158 359127515 /nfs/dbraw/zinc/12/75/15/359127515.db2.gz KIBQHIAUGLZNRA-GFCCVEGCSA-N 2 2 291.399 0.946 20 0 CCADLP COCC(C)(C)C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000582355782 359137538 /nfs/dbraw/zinc/13/75/38/359137538.db2.gz AXQWWCKDPFSBNU-MJBXVCDLSA-N 2 2 288.432 0.719 20 0 CCADLP COCC(C)(C)C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000582355782 359137542 /nfs/dbraw/zinc/13/75/42/359137542.db2.gz AXQWWCKDPFSBNU-MJBXVCDLSA-N 2 2 288.432 0.719 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCC2(CC2)C1 ZINC000584728868 359198466 /nfs/dbraw/zinc/19/84/66/359198466.db2.gz YXSYNZSZBGMBMW-CYBMUJFWSA-N 2 2 256.390 0.802 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC2(CC2)C1 ZINC000584728868 359198469 /nfs/dbraw/zinc/19/84/69/359198469.db2.gz YXSYNZSZBGMBMW-CYBMUJFWSA-N 2 2 256.390 0.802 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC2(CC2)C1 ZINC000584728868 359198470 /nfs/dbraw/zinc/19/84/70/359198470.db2.gz YXSYNZSZBGMBMW-CYBMUJFWSA-N 2 2 256.390 0.802 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCC2(CC2)C1 ZINC000584728868 359198473 /nfs/dbraw/zinc/19/84/73/359198473.db2.gz YXSYNZSZBGMBMW-CYBMUJFWSA-N 2 2 256.390 0.802 20 0 CCADLP C[N@@H+]1CCN(C(=O)C[C@@H]2CCCC[C@H]2O)[C@H](C[NH3+])C1 ZINC000584782052 359205645 /nfs/dbraw/zinc/20/56/45/359205645.db2.gz UOBDJVTXNXZIGN-YNEHKIRRSA-N 2 2 269.389 0.029 20 0 CCADLP C[N@H+]1CCN(C(=O)C[C@@H]2CCCC[C@H]2O)[C@H](C[NH3+])C1 ZINC000584782052 359205647 /nfs/dbraw/zinc/20/56/47/359205647.db2.gz UOBDJVTXNXZIGN-YNEHKIRRSA-N 2 2 269.389 0.029 20 0 CCADLP COC(=O)c1cc(C[NH2+][C@H]2CCC[N@H+](C)C2)cn1C ZINC000589169729 359364468 /nfs/dbraw/zinc/36/44/68/359364468.db2.gz NHRFWBWMTGAOJU-LBPRGKRZSA-N 2 2 265.357 0.996 20 0 CCADLP COC(=O)c1cc(C[NH2+][C@H]2CCC[N@@H+](C)C2)cn1C ZINC000589169729 359364473 /nfs/dbraw/zinc/36/44/73/359364473.db2.gz NHRFWBWMTGAOJU-LBPRGKRZSA-N 2 2 265.357 0.996 20 0 CCADLP CC(=O)NCC[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588689087 359331676 /nfs/dbraw/zinc/33/16/76/359331676.db2.gz MEYWSRQVHPRNGW-OAHLLOKOSA-N 2 2 279.384 0.205 20 0 CCADLP CC(=O)NCC[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588689087 359331681 /nfs/dbraw/zinc/33/16/81/359331681.db2.gz MEYWSRQVHPRNGW-OAHLLOKOSA-N 2 2 279.384 0.205 20 0 CCADLP C[NH+](C)C/C=C/C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000492092026 237074750 /nfs/dbraw/zinc/07/47/50/237074750.db2.gz SWDWGEBKHLBXKD-AATRIKPKSA-N 3 2 282.432 0.246 20 0 CCADLP COC(=O)[C@H]([NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)C1(OC)CCC1 ZINC000590951462 359541398 /nfs/dbraw/zinc/54/13/98/359541398.db2.gz QMNQIKFZFIBZDF-SRVKXCTJSA-N 2 2 268.357 0.248 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCc2[nH+]ccn2C)C1 ZINC000590824140 359526605 /nfs/dbraw/zinc/52/66/05/359526605.db2.gz QIJMNKNRTGPAPE-LBPRGKRZSA-N 2 2 279.388 0.950 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCc2[nH+]ccn2C)C1 ZINC000590824140 359526607 /nfs/dbraw/zinc/52/66/07/359526607.db2.gz QIJMNKNRTGPAPE-LBPRGKRZSA-N 2 2 279.388 0.950 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](CCO)C2)CC1 ZINC000591476302 359598301 /nfs/dbraw/zinc/59/83/01/359598301.db2.gz MFNLVJHRPWIGBP-LSDHHAIUSA-N 2 2 297.443 0.633 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](CCO)C2)CC1 ZINC000591476302 359598307 /nfs/dbraw/zinc/59/83/07/359598307.db2.gz MFNLVJHRPWIGBP-LSDHHAIUSA-N 2 2 297.443 0.633 20 0 CCADLP C[C@@H](NC(=O)NCCC[NH+](C)C)[C@H](C)[NH+]1CCOCC1 ZINC000591538891 359599010 /nfs/dbraw/zinc/59/90/10/359599010.db2.gz VYFYSFBQFNIPNF-OLZOCXBDSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000591563310 359599842 /nfs/dbraw/zinc/59/98/42/359599842.db2.gz PJAVGAXTHZSJEC-NSHDSACASA-N 2 2 296.415 0.827 20 0 CCADLP C[N@@H+]1CCCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000591641994 359624714 /nfs/dbraw/zinc/62/47/14/359624714.db2.gz ZDHLTZVNTBHRGJ-UHFFFAOYSA-N 2 2 250.346 0.827 20 0 CCADLP C[N@H+]1CCCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000591641994 359624718 /nfs/dbraw/zinc/62/47/18/359624718.db2.gz ZDHLTZVNTBHRGJ-UHFFFAOYSA-N 2 2 250.346 0.827 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000563077510 291188471 /nfs/dbraw/zinc/18/84/71/291188471.db2.gz HYMAGGBMOQOFBA-MELADBBJSA-N 2 2 281.400 0.308 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000297011334 200061892 /nfs/dbraw/zinc/06/18/92/200061892.db2.gz HKNCADDOXYBFJH-BETUJISGSA-N 2 2 294.399 0.759 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000297011334 200061894 /nfs/dbraw/zinc/06/18/94/200061894.db2.gz HKNCADDOXYBFJH-BETUJISGSA-N 2 2 294.399 0.759 20 0 CCADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000335838877 295998550 /nfs/dbraw/zinc/99/85/50/295998550.db2.gz GHEMMYPFHXNCIM-NSHDSACASA-N 2 2 287.354 0.976 20 0 CCADLP C[NH+](C)C1CCN(CCNC(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493068010 237381571 /nfs/dbraw/zinc/38/15/71/237381571.db2.gz BZRMDLORKIRLCW-ONEGZZNKSA-N 2 2 291.399 0.565 20 0 CCADLP Cc1[nH+]c2c(c(=O)[nH]n2C)c(C)c1Cc1nc(C[NH3+])no1 ZINC000563117918 291195751 /nfs/dbraw/zinc/19/57/51/291195751.db2.gz CKVAJPIMBAKIJW-UHFFFAOYSA-N 2 2 288.311 0.723 20 0 CCADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@H]3CCC[NH2+]3)C2)CC1 ZINC000592134235 359763359 /nfs/dbraw/zinc/76/33/59/359763359.db2.gz LRXRJRIWCZWHQY-HUUCEWRRSA-N 2 2 294.443 0.367 20 0 CCADLP COC(=O)c1cn([C@H]2CCC[N@H+](C[C@@H](C)[NH3+])C2)nn1 ZINC000563153717 291200204 /nfs/dbraw/zinc/20/02/04/291200204.db2.gz FARNZOXSKXJILE-ZJUUUORDSA-N 2 2 267.333 0.049 20 0 CCADLP COC(=O)c1cn([C@H]2CCC[N@@H+](C[C@@H](C)[NH3+])C2)nn1 ZINC000563153717 291200205 /nfs/dbraw/zinc/20/02/05/291200205.db2.gz FARNZOXSKXJILE-ZJUUUORDSA-N 2 2 267.333 0.049 20 0 CCADLP C[C@@H](C(=O)NCCC[C@H]1CCC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000563159258 291201145 /nfs/dbraw/zinc/20/11/45/291201145.db2.gz GXWGCGVAEBDVCM-UONOGXRCSA-N 2 2 282.432 0.271 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCN1CCCCC1=O ZINC000422863526 296002296 /nfs/dbraw/zinc/00/22/96/296002296.db2.gz RUARRRLLHKWCOD-KBPBESRZSA-N 2 2 283.416 0.746 20 0 CCADLP COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000592530749 359872744 /nfs/dbraw/zinc/87/27/44/359872744.db2.gz GKYWRZFUATUDDC-YPMHNXCESA-N 2 2 289.335 0.690 20 0 CCADLP COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000592530749 359872753 /nfs/dbraw/zinc/87/27/53/359872753.db2.gz GKYWRZFUATUDDC-YPMHNXCESA-N 2 2 289.335 0.690 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000563202737 291205120 /nfs/dbraw/zinc/20/51/20/291205120.db2.gz BZSNOXBGBMCTHC-LBPRGKRZSA-N 2 2 264.373 0.902 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000563202737 291205121 /nfs/dbraw/zinc/20/51/21/291205121.db2.gz BZSNOXBGBMCTHC-LBPRGKRZSA-N 2 2 264.373 0.902 20 0 CCADLP COCC[NH2+]C1CC[NH+](CCn2cc(C)cn2)CC1 ZINC000563269589 291211300 /nfs/dbraw/zinc/21/13/00/291211300.db2.gz WWAUOHLBZKFJKC-UHFFFAOYSA-N 2 2 266.389 0.892 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC[NH2+]1 ZINC000621159704 366662308 /nfs/dbraw/zinc/66/23/08/366662308.db2.gz QDRLYKDPKUIOGZ-SMDDNHRTSA-N 2 2 276.384 0.971 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC[NH2+]1 ZINC000621159704 366662315 /nfs/dbraw/zinc/66/23/15/366662315.db2.gz QDRLYKDPKUIOGZ-SMDDNHRTSA-N 2 2 276.384 0.971 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593100558 360038609 /nfs/dbraw/zinc/03/86/09/360038609.db2.gz OOKDPQWZVQQQOT-NVGCLXPQSA-N 2 2 253.371 0.787 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593100558 360038611 /nfs/dbraw/zinc/03/86/11/360038611.db2.gz OOKDPQWZVQQQOT-NVGCLXPQSA-N 2 2 253.371 0.787 20 0 CCADLP CO[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)[C@@H](C[NH3+])C1 ZINC000563338129 291214521 /nfs/dbraw/zinc/21/45/21/291214521.db2.gz IRDVHKFIGDYWDF-JHJVBQTASA-N 2 2 280.372 0.799 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](CC(C)(C)O)C1CC1 ZINC000563354362 291215808 /nfs/dbraw/zinc/21/58/08/291215808.db2.gz QVTIKKHJARWLHE-ZDUSSCGKSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](CC(C)(C)O)C1CC1 ZINC000563354362 291215810 /nfs/dbraw/zinc/21/58/10/291215810.db2.gz QVTIKKHJARWLHE-ZDUSSCGKSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](CC(C)(C)O)C1CC1 ZINC000563354362 291215811 /nfs/dbraw/zinc/21/58/11/291215811.db2.gz QVTIKKHJARWLHE-ZDUSSCGKSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](CC(C)(C)O)C1CC1 ZINC000563354362 291215812 /nfs/dbraw/zinc/21/58/12/291215812.db2.gz QVTIKKHJARWLHE-ZDUSSCGKSA-N 2 2 274.405 0.161 20 0 CCADLP CCOC(=O)CC[C@@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593907730 360205280 /nfs/dbraw/zinc/20/52/80/360205280.db2.gz SWGUCHWCYZKNAW-MNOVXSKESA-N 2 2 273.377 0.113 20 0 CCADLP COC(=O)c1ccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000593902860 360200898 /nfs/dbraw/zinc/20/08/98/360200898.db2.gz GJNXXOMXZOWARI-CYBMUJFWSA-N 2 2 293.367 0.368 20 0 CCADLP CCC[C@@](C)(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(=O)OC ZINC000593902440 360201578 /nfs/dbraw/zinc/20/15/78/360201578.db2.gz TVQLMGZWBASHSN-GXFFZTMASA-N 2 2 273.377 0.113 20 0 CCADLP COC(=O)[C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)CC(C)C ZINC000593909249 360205305 /nfs/dbraw/zinc/20/53/05/360205305.db2.gz IXDXULDINOJSKY-RYUDHWBXSA-N 2 2 287.404 0.217 20 0 CCADLP COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593905980 360203662 /nfs/dbraw/zinc/20/36/62/360203662.db2.gz FMZPRBZOYQHYPR-LOWDOPEQSA-N 2 2 297.399 0.066 20 0 CCADLP COC(=O)[C@H](CC(C)(C)C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593907224 360204493 /nfs/dbraw/zinc/20/44/93/360204493.db2.gz LGVJCFGEGMFQSR-QWRGUYRKSA-N 2 2 287.404 0.359 20 0 CCADLP COC(=O)[C@H]1C[C@H](O)C[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000594015295 360236322 /nfs/dbraw/zinc/23/63/22/360236322.db2.gz IGRYFXOROOXWFG-AAEUAGOBSA-N 2 2 281.356 0.209 20 0 CCADLP COC(=O)[C@H]1C[C@H](O)C[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000594015295 360236325 /nfs/dbraw/zinc/23/63/25/360236325.db2.gz IGRYFXOROOXWFG-AAEUAGOBSA-N 2 2 281.356 0.209 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3cccc(O)c3)CCN2C1=O ZINC000594736999 360371123 /nfs/dbraw/zinc/37/11/23/360371123.db2.gz VMXCICGCJMDTPT-AAEUAGOBSA-N 2 2 261.325 0.136 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3cccc(O)c3)CCN2C1=O ZINC000594736999 360371126 /nfs/dbraw/zinc/37/11/26/360371126.db2.gz VMXCICGCJMDTPT-AAEUAGOBSA-N 2 2 261.325 0.136 20 0 CCADLP Cc1noc(C)c1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594736683 360371292 /nfs/dbraw/zinc/37/12/92/360371292.db2.gz JYPWAQUIEHGSIG-PWSUYJOCSA-N 2 2 264.329 0.035 20 0 CCADLP Cc1noc(C)c1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000594736683 360371295 /nfs/dbraw/zinc/37/12/95/360371295.db2.gz JYPWAQUIEHGSIG-PWSUYJOCSA-N 2 2 264.329 0.035 20 0 CCADLP Cc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)nc1 ZINC000594736723 360371465 /nfs/dbraw/zinc/37/14/65/360371465.db2.gz PUAJCPUERFUYOJ-QWHCGFSZSA-N 2 2 260.341 0.134 20 0 CCADLP Cc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)nc1 ZINC000594736723 360371467 /nfs/dbraw/zinc/37/14/67/360371467.db2.gz PUAJCPUERFUYOJ-QWHCGFSZSA-N 2 2 260.341 0.134 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000594988386 360431197 /nfs/dbraw/zinc/43/11/97/360431197.db2.gz FUIBOTBKJLABJY-KBPBESRZSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000594988386 360431201 /nfs/dbraw/zinc/43/12/01/360431201.db2.gz FUIBOTBKJLABJY-KBPBESRZSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000594988386 360431204 /nfs/dbraw/zinc/43/12/04/360431204.db2.gz FUIBOTBKJLABJY-KBPBESRZSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000594988386 360431210 /nfs/dbraw/zinc/43/12/10/360431210.db2.gz FUIBOTBKJLABJY-KBPBESRZSA-N 2 2 298.431 0.348 20 0 CCADLP COC(=O)CCN1CC[C@@H]([N@@H+]2CC[C@@H](C[NH+](C)C)C2)C1=O ZINC000595321631 360496910 /nfs/dbraw/zinc/49/69/10/360496910.db2.gz XJJRPYRWGAYHNA-QWHCGFSZSA-N 2 2 297.399 0.034 20 0 CCADLP COC(=O)CCN1CC[C@@H]([N@H+]2CC[C@@H](C[NH+](C)C)C2)C1=O ZINC000595321631 360496914 /nfs/dbraw/zinc/49/69/14/360496914.db2.gz XJJRPYRWGAYHNA-QWHCGFSZSA-N 2 2 297.399 0.034 20 0 CCADLP COC(=O)[C@H]1C[C@@H]([N@H+](C)C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000595855687 360679374 /nfs/dbraw/zinc/67/93/74/360679374.db2.gz FVAXIHNJSUXDKI-FRRDWIJNSA-N 2 2 272.389 0.571 20 0 CCADLP COC(=O)[C@H]1C[C@@H]([N@@H+](C)C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000595855687 360679378 /nfs/dbraw/zinc/67/93/78/360679378.db2.gz FVAXIHNJSUXDKI-FRRDWIJNSA-N 2 2 272.389 0.571 20 0 CCADLP COC(=O)[C@H]1C[C@@H]([NH+](C)C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000595855687 360679382 /nfs/dbraw/zinc/67/93/82/360679382.db2.gz FVAXIHNJSUXDKI-FRRDWIJNSA-N 2 2 272.389 0.571 20 0 CCADLP COC(=O)[C@H]1C[C@@H]([NH+](C)C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000595855687 360679386 /nfs/dbraw/zinc/67/93/86/360679386.db2.gz FVAXIHNJSUXDKI-FRRDWIJNSA-N 2 2 272.389 0.571 20 0 CCADLP COC(=O)CCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595862458 360682273 /nfs/dbraw/zinc/68/22/73/360682273.db2.gz BZHAGHFTJQNRTN-ZDUSSCGKSA-N 2 2 270.373 0.471 20 0 CCADLP COC(=O)CCC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595862458 360682278 /nfs/dbraw/zinc/68/22/78/360682278.db2.gz BZHAGHFTJQNRTN-ZDUSSCGKSA-N 2 2 270.373 0.471 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H]2CCN(CCC(=O)OC)C2=O)C1 ZINC000595892765 360693408 /nfs/dbraw/zinc/69/34/08/360693408.db2.gz MYPAALSGORGMMO-STQMWFEESA-N 2 2 297.399 0.082 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H]2CCN(CCC(=O)OC)C2=O)C1 ZINC000595892765 360693413 /nfs/dbraw/zinc/69/34/13/360693413.db2.gz MYPAALSGORGMMO-STQMWFEESA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)CCN1CC[C@H]([NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)C1=O ZINC000595893632 360693425 /nfs/dbraw/zinc/69/34/25/360693425.db2.gz TVXNBHVGRMKMIY-KZVDOYCCSA-N 2 2 297.399 0.127 20 0 CCADLP CNS(=O)(=O)CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000621254928 366683074 /nfs/dbraw/zinc/68/30/74/366683074.db2.gz QEAARJIDIUQKFM-NSHDSACASA-N 2 2 272.374 0.069 20 0 CCADLP CNS(=O)(=O)CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000621254928 366683078 /nfs/dbraw/zinc/68/30/78/366683078.db2.gz QEAARJIDIUQKFM-NSHDSACASA-N 2 2 272.374 0.069 20 0 CCADLP CCCC[N@H+](C)CCNC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+] ZINC000563569956 291238190 /nfs/dbraw/zinc/23/81/90/291238190.db2.gz QQXYVDMJOZDDQI-ZDUSSCGKSA-N 3 2 285.436 0.003 20 0 CCADLP CCCC[N@@H+](C)CCNC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+] ZINC000563569956 291238192 /nfs/dbraw/zinc/23/81/92/291238192.db2.gz QQXYVDMJOZDDQI-ZDUSSCGKSA-N 3 2 285.436 0.003 20 0 CCADLP CCCC[NH+](C)CCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000563569956 291238193 /nfs/dbraw/zinc/23/81/93/291238193.db2.gz QQXYVDMJOZDDQI-ZDUSSCGKSA-N 3 2 285.436 0.003 20 0 CCADLP CCCC[NH+](C)CCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000563569956 291238195 /nfs/dbraw/zinc/23/81/95/291238195.db2.gz QQXYVDMJOZDDQI-ZDUSSCGKSA-N 3 2 285.436 0.003 20 0 CCADLP Nc1c(NCC[C@H]2CCC[NH2+]2)[nH+]cnc1-n1cccn1 ZINC000563665475 291245984 /nfs/dbraw/zinc/24/59/84/291245984.db2.gz DKKLTOSUZHLZNV-SNVBAGLBSA-N 2 2 273.344 0.799 20 0 CCADLP COC(=O)c1cc(C[N@H+](C)CC2C[NH+](C)C2)c[nH]1 ZINC000597202836 361030571 /nfs/dbraw/zinc/03/05/71/361030571.db2.gz JRVANPVUIJNGBX-UHFFFAOYSA-N 2 2 251.330 0.795 20 0 CCADLP COC(=O)c1cc(C[N@@H+](C)CC2C[NH+](C)C2)c[nH]1 ZINC000597202836 361030577 /nfs/dbraw/zinc/03/05/77/361030577.db2.gz JRVANPVUIJNGBX-UHFFFAOYSA-N 2 2 251.330 0.795 20 0 CCADLP COC(=O)c1ccc(C[N@H+](C)CC2C[NH+](C)C2)[nH]1 ZINC000597205397 361031340 /nfs/dbraw/zinc/03/13/40/361031340.db2.gz JPMXWGMHDPCLOE-UHFFFAOYSA-N 2 2 251.330 0.795 20 0 CCADLP COC(=O)c1ccc(C[N@@H+](C)CC2C[NH+](C)C2)[nH]1 ZINC000597205397 361031347 /nfs/dbraw/zinc/03/13/47/361031347.db2.gz JPMXWGMHDPCLOE-UHFFFAOYSA-N 2 2 251.330 0.795 20 0 CCADLP CCC[N@H+](C)C[C@H]1CC[NH+](CCS(=O)(=O)NC)C1 ZINC000621261655 366686219 /nfs/dbraw/zinc/68/62/19/366686219.db2.gz YXPYGUZPXSWMKO-GFCCVEGCSA-N 2 2 277.434 0.199 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CCS(=O)(=O)NC)C1 ZINC000621261655 366686222 /nfs/dbraw/zinc/68/62/22/366686222.db2.gz YXPYGUZPXSWMKO-GFCCVEGCSA-N 2 2 277.434 0.199 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@H+](CCS(=O)(=O)NC)C1 ZINC000621261655 366686226 /nfs/dbraw/zinc/68/62/26/366686226.db2.gz YXPYGUZPXSWMKO-GFCCVEGCSA-N 2 2 277.434 0.199 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CCS(=O)(=O)NC)C1 ZINC000621261655 366686229 /nfs/dbraw/zinc/68/62/29/366686229.db2.gz YXPYGUZPXSWMKO-GFCCVEGCSA-N 2 2 277.434 0.199 20 0 CCADLP C[C@@H]1CC[N@H+](CCNC(=O)C[NH+]2CC(C)(C)C2)C1 ZINC000563821714 291253111 /nfs/dbraw/zinc/25/31/11/291253111.db2.gz BCRINQXLIAGYIV-GFCCVEGCSA-N 2 2 253.390 0.786 20 0 CCADLP C[C@@H]1CC[N@@H+](CCNC(=O)C[NH+]2CC(C)(C)C2)C1 ZINC000563821714 291253114 /nfs/dbraw/zinc/25/31/14/291253114.db2.gz BCRINQXLIAGYIV-GFCCVEGCSA-N 2 2 253.390 0.786 20 0 CCADLP CNS(=O)(=O)CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000621288198 366705558 /nfs/dbraw/zinc/70/55/58/366705558.db2.gz PNIZCLIZYFZAOF-GFCCVEGCSA-N 2 2 285.369 0.084 20 0 CCADLP CNS(=O)(=O)CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000621288198 366705563 /nfs/dbraw/zinc/70/55/63/366705563.db2.gz PNIZCLIZYFZAOF-GFCCVEGCSA-N 2 2 285.369 0.084 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[NH+](C2CCCC2)CC1 ZINC000564015279 291263197 /nfs/dbraw/zinc/26/31/97/291263197.db2.gz AAFFYYTVJSNWEY-UHFFFAOYSA-N 2 2 262.357 0.970 20 0 CCADLP C[NH+](C)C1(CS(=O)(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000631798454 370676027 /nfs/dbraw/zinc/67/60/27/370676027.db2.gz SWYWZWSSCOATIS-NSHDSACASA-N 2 2 287.429 0.237 20 0 CCADLP C[NH+](C)C1(CS(=O)(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000631798454 370676031 /nfs/dbraw/zinc/67/60/31/370676031.db2.gz SWYWZWSSCOATIS-NSHDSACASA-N 2 2 287.429 0.237 20 0 CCADLP Cc1cc(NC(=O)C[NH2+][C@@H]2CC[NH2+]CC2(C)C)n(C)n1 ZINC000564090213 291265927 /nfs/dbraw/zinc/26/59/27/291265927.db2.gz MQDKTCRSUQPYOF-LLVKDONJSA-N 2 2 279.388 0.645 20 0 CCADLP COC(=O)Cn1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)nn1 ZINC000598994363 361547388 /nfs/dbraw/zinc/54/73/88/361547388.db2.gz KZNOOJOYRZVRJU-LBPRGKRZSA-N 2 2 295.387 0.273 20 0 CCADLP COC(=O)Cn1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)nn1 ZINC000598994363 361547393 /nfs/dbraw/zinc/54/73/93/361547393.db2.gz KZNOOJOYRZVRJU-LBPRGKRZSA-N 2 2 295.387 0.273 20 0 CCADLP C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000362726061 296044339 /nfs/dbraw/zinc/04/43/39/296044339.db2.gz TYGOSIBCTUWHPH-KGLIPLIRSA-N 2 2 297.443 0.944 20 0 CCADLP C(C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)[C@H]1CC[NH2+]C1 ZINC000564458276 291281327 /nfs/dbraw/zinc/28/13/27/291281327.db2.gz QZWHIZNTHVDUOV-CABCVRRESA-N 3 2 267.417 0.640 20 0 CCADLP C(C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)[C@H]1CC[NH2+]C1 ZINC000564458276 291281328 /nfs/dbraw/zinc/28/13/28/291281328.db2.gz QZWHIZNTHVDUOV-CABCVRRESA-N 3 2 267.417 0.640 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCN1CCN(c2[nH]cc[nH+]2)CC1 ZINC000564464991 291281341 /nfs/dbraw/zinc/28/13/41/291281341.db2.gz CADWYSGAYYSVNL-ZDUSSCGKSA-N 2 2 279.388 0.252 20 0 CCADLP C[C@H]1COCC[N@H+]1CCN1CCN(c2[nH]cc[nH+]2)CC1 ZINC000564464991 291281342 /nfs/dbraw/zinc/28/13/42/291281342.db2.gz CADWYSGAYYSVNL-ZDUSSCGKSA-N 2 2 279.388 0.252 20 0 CCADLP C[C@H]1COCCN1CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000564464991 291281343 /nfs/dbraw/zinc/28/13/43/291281343.db2.gz CADWYSGAYYSVNL-ZDUSSCGKSA-N 2 2 279.388 0.252 20 0 CCADLP CC[N@H+](C)CCNc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000301925745 201265024 /nfs/dbraw/zinc/26/50/24/201265024.db2.gz IUBQHJXJAXZBFB-GFCCVEGCSA-N 2 2 279.388 0.801 20 0 CCADLP CC[N@@H+](C)CCNc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000301925745 201265025 /nfs/dbraw/zinc/26/50/25/201265025.db2.gz IUBQHJXJAXZBFB-GFCCVEGCSA-N 2 2 279.388 0.801 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000599328874 361654040 /nfs/dbraw/zinc/65/40/40/361654040.db2.gz APWNYUTWBOUSQN-NEPJUHHUSA-N 2 2 281.356 0.903 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000599328874 361654046 /nfs/dbraw/zinc/65/40/46/361654046.db2.gz APWNYUTWBOUSQN-NEPJUHHUSA-N 2 2 281.356 0.903 20 0 CCADLP C[C@H]1OCC[C@@H]1C[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000631829231 370696212 /nfs/dbraw/zinc/69/62/12/370696212.db2.gz LKJIVHKOXVMWGE-MHDGFBEUSA-N 2 2 264.373 0.572 20 0 CCADLP C[C@H]1OCC[C@@H]1C[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000631829231 370696218 /nfs/dbraw/zinc/69/62/18/370696218.db2.gz LKJIVHKOXVMWGE-MHDGFBEUSA-N 2 2 264.373 0.572 20 0 CCADLP CCOC(=O)C[C@@H](O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000599431746 361697255 /nfs/dbraw/zinc/69/72/55/361697255.db2.gz BQRRXMHNRNTUTK-HIFRSBDPSA-N 2 2 284.400 0.718 20 0 CCADLP CCOC(=O)C[C@@H](O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000599431746 361697262 /nfs/dbraw/zinc/69/72/62/361697262.db2.gz BQRRXMHNRNTUTK-HIFRSBDPSA-N 2 2 284.400 0.718 20 0 CCADLP CCOC(=O)C[C@@H](O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000599431746 361697268 /nfs/dbraw/zinc/69/72/68/361697268.db2.gz BQRRXMHNRNTUTK-HIFRSBDPSA-N 2 2 284.400 0.718 20 0 CCADLP CCOC(=O)C[C@@H](O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000599431746 361697278 /nfs/dbraw/zinc/69/72/78/361697278.db2.gz BQRRXMHNRNTUTK-HIFRSBDPSA-N 2 2 284.400 0.718 20 0 CCADLP Cc1c(C[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C ZINC000564652357 291290444 /nfs/dbraw/zinc/29/04/44/291290444.db2.gz ZBOHDNLUJWEILS-TYNCELHUSA-N 2 2 296.415 0.288 20 0 CCADLP Cc1c(C[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C ZINC000564652357 291290446 /nfs/dbraw/zinc/29/04/46/291290446.db2.gz ZBOHDNLUJWEILS-TYNCELHUSA-N 2 2 296.415 0.288 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)C2([NH+](C)C)CC2)C1 ZINC000613006415 364084652 /nfs/dbraw/zinc/08/46/52/364084652.db2.gz UHOMVTMAVLYAHO-NSHDSACASA-N 2 2 262.357 0.830 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612980484 364066845 /nfs/dbraw/zinc/06/68/45/364066845.db2.gz RSDZHPQWTAMJGT-NSHDSACASA-N 2 2 277.372 0.704 20 0 CCADLP C[C@H](C(=O)N1CCCC[C@H]1CC[NH3+])[NH+]1CCN(C)CC1 ZINC000564803442 291302216 /nfs/dbraw/zinc/30/22/16/291302216.db2.gz MDGYIKJIPRZHAN-KGLIPLIRSA-N 2 2 282.432 0.352 20 0 CCADLP [NH3+][C@H]1CCCCC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC000631832871 370699225 /nfs/dbraw/zinc/69/92/25/370699225.db2.gz OTECAWQQEUXHRJ-NSHDSACASA-N 2 2 253.346 0.339 20 0 CCADLP [NH3+][C@H]1CCCCC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC000631832871 370699227 /nfs/dbraw/zinc/69/92/27/370699227.db2.gz OTECAWQQEUXHRJ-NSHDSACASA-N 2 2 253.346 0.339 20 0 CCADLP C[C@H](C(=O)Nc1nccs1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839624 370705247 /nfs/dbraw/zinc/70/52/47/370705247.db2.gz IQCYJKXETWBUNH-OPRDCNLKSA-N 2 2 268.386 0.997 20 0 CCADLP C[C@H](C(=O)Nc1nccs1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839624 370705252 /nfs/dbraw/zinc/70/52/52/370705252.db2.gz IQCYJKXETWBUNH-OPRDCNLKSA-N 2 2 268.386 0.997 20 0 CCADLP C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631864129 370725157 /nfs/dbraw/zinc/72/51/57/370725157.db2.gz KZJULAKAAPZKDP-AWEZNQCLSA-N 2 2 297.443 0.824 20 0 CCADLP C[C@H]1CN(CC[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)CCO1 ZINC000631867170 370727244 /nfs/dbraw/zinc/72/72/44/370727244.db2.gz LVFGXVMLXYZPNL-MJBXVCDLSA-N 2 2 253.390 0.439 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631891241 370739060 /nfs/dbraw/zinc/73/90/60/370739060.db2.gz ZSIQHWAKLWHBND-KBPBESRZSA-N 2 2 253.390 0.393 20 0 CCADLP C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)N1CCOCC1 ZINC000631891241 370739064 /nfs/dbraw/zinc/73/90/64/370739064.db2.gz ZSIQHWAKLWHBND-KBPBESRZSA-N 2 2 253.390 0.393 20 0 CCADLP C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)N1CCOCC1 ZINC000631891241 370739069 /nfs/dbraw/zinc/73/90/69/370739069.db2.gz ZSIQHWAKLWHBND-KBPBESRZSA-N 2 2 253.390 0.393 20 0 CCADLP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)N1CCCC1 ZINC000631891295 370741127 /nfs/dbraw/zinc/74/11/27/370741127.db2.gz XEDVYDYGKGLRAW-STQMWFEESA-N 2 2 251.374 0.683 20 0 CCADLP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)N1CCCC1 ZINC000631891295 370741131 /nfs/dbraw/zinc/74/11/31/370741131.db2.gz XEDVYDYGKGLRAW-STQMWFEESA-N 2 2 251.374 0.683 20 0 CCADLP O=C(NCC[N@@H+]1CCCOCC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000613805743 364380416 /nfs/dbraw/zinc/38/04/16/364380416.db2.gz YVZSNEDTNGXBQK-LBPRGKRZSA-N 2 2 292.383 0.353 20 0 CCADLP O=C(NCC[N@H+]1CCCOCC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000613805743 364380421 /nfs/dbraw/zinc/38/04/21/364380421.db2.gz YVZSNEDTNGXBQK-LBPRGKRZSA-N 2 2 292.383 0.353 20 0 CCADLP O=C(NCC[N@@H+]1CCCOCC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000613805743 364380425 /nfs/dbraw/zinc/38/04/25/364380425.db2.gz YVZSNEDTNGXBQK-LBPRGKRZSA-N 2 2 292.383 0.353 20 0 CCADLP O=C(NCC[N@H+]1CCCOCC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000613805743 364380431 /nfs/dbraw/zinc/38/04/31/364380431.db2.gz YVZSNEDTNGXBQK-LBPRGKRZSA-N 2 2 292.383 0.353 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621682097 366833365 /nfs/dbraw/zinc/83/33/65/366833365.db2.gz ZMYYYDNETVENSO-LZWOXQAQSA-N 2 2 295.427 0.827 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621682097 366833371 /nfs/dbraw/zinc/83/33/71/366833371.db2.gz ZMYYYDNETVENSO-LZWOXQAQSA-N 2 2 295.427 0.827 20 0 CCADLP C[C@@H](CC(=O)N1CCC2(C[NH+](C)C2)C1)n1cc[nH+]c1 ZINC000614034673 364466942 /nfs/dbraw/zinc/46/69/42/364466942.db2.gz ZSTGTFFFQXKBES-LBPRGKRZSA-N 2 2 262.357 0.998 20 0 CCADLP C[C@@H](CC(=O)N1CCC[C@](O)(C[NH+](C)C)C1)n1cc[nH+]c1 ZINC000614071120 364489250 /nfs/dbraw/zinc/48/92/50/364489250.db2.gz ODRDBHANLGMJMF-ZFWWWQNUSA-N 2 2 294.399 0.749 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000614103431 364504350 /nfs/dbraw/zinc/50/43/50/364504350.db2.gz BQZPAEKKUWQSJZ-OLZOCXBDSA-N 2 2 280.347 0.836 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000614103433 364504527 /nfs/dbraw/zinc/50/45/27/364504527.db2.gz BQZPAEKKUWQSJZ-STQMWFEESA-N 2 2 280.347 0.836 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H]([NH3+])c1cscn1 ZINC000564934933 291319618 /nfs/dbraw/zinc/31/96/18/291319618.db2.gz ODXVYNRZUSQMDE-HLUHBDAQSA-N 2 2 280.397 0.742 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@H]([NH3+])c1cscn1 ZINC000564934933 291319620 /nfs/dbraw/zinc/31/96/20/291319620.db2.gz ODXVYNRZUSQMDE-HLUHBDAQSA-N 2 2 280.397 0.742 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)NC[C@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000564941460 291322327 /nfs/dbraw/zinc/32/23/27/291322327.db2.gz APWQLAZZYXPIBJ-DOMZBBRYSA-N 2 2 299.415 0.505 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)NC[C@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000564941460 291322331 /nfs/dbraw/zinc/32/23/31/291322331.db2.gz APWQLAZZYXPIBJ-DOMZBBRYSA-N 2 2 299.415 0.505 20 0 CCADLP CC(C)(C(=O)N1CC(C[NH+]2CCOCC2)C1)c1c[nH+]c[nH]1 ZINC000615141802 364860555 /nfs/dbraw/zinc/86/05/55/364860555.db2.gz PZBLSAOCPMTYMG-UHFFFAOYSA-N 2 2 292.383 0.478 20 0 CCADLP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CN(C)C(=O)O2)CC[N@@H+]1C ZINC000496559196 240184817 /nfs/dbraw/zinc/18/48/17/240184817.db2.gz OOKBKUZUMKIUPR-GRYCIOLGSA-N 2 2 255.362 0.852 20 0 CCADLP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CN(C)C(=O)O2)CC[N@H+]1C ZINC000496559196 240184838 /nfs/dbraw/zinc/18/48/38/240184838.db2.gz OOKBKUZUMKIUPR-GRYCIOLGSA-N 2 2 255.362 0.852 20 0 CCADLP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CN(C)C(=O)O2)CC[NH+]1C ZINC000496559196 240184855 /nfs/dbraw/zinc/18/48/55/240184855.db2.gz OOKBKUZUMKIUPR-GRYCIOLGSA-N 2 2 255.362 0.852 20 0 CCADLP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CN(C)C(=O)O2)CC[NH+]1C ZINC000496559196 240184860 /nfs/dbraw/zinc/18/48/60/240184860.db2.gz OOKBKUZUMKIUPR-GRYCIOLGSA-N 2 2 255.362 0.852 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615539624 364998087 /nfs/dbraw/zinc/99/80/87/364998087.db2.gz YPHNQWXGPIBPES-AWEZNQCLSA-N 2 2 292.383 0.666 20 0 CCADLP COCC[NH2+]C1CC[NH+](CCCN2CCOCC2)CC1 ZINC000565091902 291344233 /nfs/dbraw/zinc/34/42/33/291344233.db2.gz DLYIKCDAVPXIGQ-UHFFFAOYSA-N 2 2 285.432 0.409 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000616307761 365258097 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C[C@H](C(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1)C1C[NH2+]C1 ZINC000566197531 291373956 /nfs/dbraw/zinc/37/39/56/291373956.db2.gz HQVBRVWZWKPCLY-WFASDCNBSA-N 2 2 295.427 0.411 20 0 CCADLP CC(C)[C@@H](C(=O)NCCc1cn(C)c[nH+]1)[NH+](C)C ZINC000622685884 367296957 /nfs/dbraw/zinc/29/69/57/367296957.db2.gz OLIXLQNQEOQZIU-LBPRGKRZSA-N 2 2 252.362 0.665 20 0 CCADLP CC[C@H](C)[C@H](O)C[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000566234611 291381138 /nfs/dbraw/zinc/38/11/38/291381138.db2.gz RSPZFUWGDXWUEZ-VYDRJRHOSA-N 2 2 288.432 0.453 20 0 CCADLP C[N@@H+]1CCN(Cc2cccc(-n3cccn3)c2)[C@H](C[NH3+])C1 ZINC000566230557 291379949 /nfs/dbraw/zinc/37/99/49/291379949.db2.gz WWYNOIUDHSQGDB-MRXNPFEDSA-N 2 2 285.395 0.947 20 0 CCADLP C[N@H+]1CCN(Cc2cccc(-n3cccn3)c2)[C@H](C[NH3+])C1 ZINC000566230557 291379951 /nfs/dbraw/zinc/37/99/51/291379951.db2.gz WWYNOIUDHSQGDB-MRXNPFEDSA-N 2 2 285.395 0.947 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C[NH2+]1 ZINC000623180691 367469723 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CC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623394728 367553529 /nfs/dbraw/zinc/55/35/29/367553529.db2.gz PPLHQVYOCQERHG-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP CC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623394728 367553536 /nfs/dbraw/zinc/55/35/36/367553536.db2.gz PPLHQVYOCQERHG-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1cccc2n[nH]cc21 ZINC000623414175 367558694 /nfs/dbraw/zinc/55/86/94/367558694.db2.gz WFBXDGKSPWVLRX-ZDUSSCGKSA-N 2 2 273.384 0.898 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1cccc2n[nH]cc21 ZINC000623414175 367558698 /nfs/dbraw/zinc/55/86/98/367558698.db2.gz WFBXDGKSPWVLRX-ZDUSSCGKSA-N 2 2 273.384 0.898 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@]23C[C@H]2CC[NH2+]3)c[nH+]1 ZINC000566289002 291389607 /nfs/dbraw/zinc/38/96/07/291389607.db2.gz SMUPZLTYDOJNBS-RISCZKNCSA-N 2 2 260.341 0.516 20 0 CCADLP O=C(Cc1cn2ccccc2[nH+]1)NCC1CC[NH2+]CC1 ZINC000566288946 291389627 /nfs/dbraw/zinc/38/96/27/291389627.db2.gz 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367608735 /nfs/dbraw/zinc/60/87/35/367608735.db2.gz OEUSNDZTGFFLRS-RYUDHWBXSA-N 2 2 251.330 0.459 20 0 CCADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3C[C@H](C(N)=O)C3)n2c1 ZINC000623662974 367617479 /nfs/dbraw/zinc/61/74/79/367617479.db2.gz SLCGYOXZVFFGLU-XYPYZODXSA-N 2 2 258.325 0.996 20 0 CCADLP CC[NH+]1CCC([NH2+][C@@H](CO)c2ccnn2C)CC1 ZINC000624018636 367726458 /nfs/dbraw/zinc/72/64/58/367726458.db2.gz VRTFRBSHNYXIEL-LBPRGKRZSA-N 2 2 252.362 0.527 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH2+]CCC[NH+]2CCC[C@H]2C(N)=O)[C@@H](C)C1 ZINC000624085186 367747200 /nfs/dbraw/zinc/74/72/00/367747200.db2.gz DLPQWMNQCXYDDQ-ZNMIVQPWSA-N 3 2 296.459 0.646 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH2+]CCC[NH+]2CCC[C@H]2C(N)=O)[C@@H](C)C1 ZINC000624085186 367747210 /nfs/dbraw/zinc/74/72/10/367747210.db2.gz DLPQWMNQCXYDDQ-ZNMIVQPWSA-N 3 2 296.459 0.646 20 0 CCADLP CC[NH+]1CC[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)[C@@H](C)C1 ZINC000624085186 367747218 /nfs/dbraw/zinc/74/72/18/367747218.db2.gz DLPQWMNQCXYDDQ-ZNMIVQPWSA-N 3 2 296.459 0.646 20 0 CCADLP CC[NH+]1CC[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)[C@@H](C)C1 ZINC000624085186 367747223 /nfs/dbraw/zinc/74/72/23/367747223.db2.gz DLPQWMNQCXYDDQ-ZNMIVQPWSA-N 3 2 296.459 0.646 20 0 CCADLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)[C@@H]1CCOC1 ZINC000624085224 367748248 /nfs/dbraw/zinc/74/82/48/367748248.db2.gz FVCUKUVYVFFEFA-MCIONIFRSA-N 2 2 283.416 0.731 20 0 CCADLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)[C@@H]1CCOC1 ZINC000624085224 367748249 /nfs/dbraw/zinc/74/82/49/367748249.db2.gz FVCUKUVYVFFEFA-MCIONIFRSA-N 2 2 283.416 0.731 20 0 CCADLP C[N@H+](CCCCNC(=O)NC[C@@H]1COCC[NH+]1C)C1CC1 ZINC000624185056 367781810 /nfs/dbraw/zinc/78/18/10/367781810.db2.gz BATDVTDPDNQDGH-CQSZACIVSA-N 2 2 298.431 0.491 20 0 CCADLP C[N@@H+](CCCCNC(=O)NC[C@@H]1COCC[NH+]1C)C1CC1 ZINC000624185056 367781815 /nfs/dbraw/zinc/78/18/15/367781815.db2.gz BATDVTDPDNQDGH-CQSZACIVSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+](CCCCNC(=O)NC[C@@H]1COCC[N@@H+]1C)C1CC1 ZINC000624185056 367781818 /nfs/dbraw/zinc/78/18/18/367781818.db2.gz BATDVTDPDNQDGH-CQSZACIVSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+](CCCCNC(=O)NC[C@@H]1COCC[N@H+]1C)C1CC1 ZINC000624185056 367781823 /nfs/dbraw/zinc/78/18/23/367781823.db2.gz BATDVTDPDNQDGH-CQSZACIVSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@@H+]1CCN(S(=O)(=O)CCC[NH+](C)C)C[C@H]1C ZINC000632140235 370887707 /nfs/dbraw/zinc/88/77/07/370887707.db2.gz DROUSJTXODTRIY-GFCCVEGCSA-N 2 2 277.434 0.294 20 0 CCADLP CC[N@H+]1CCN(S(=O)(=O)CCC[NH+](C)C)C[C@H]1C ZINC000632140235 370887711 /nfs/dbraw/zinc/88/77/11/370887711.db2.gz DROUSJTXODTRIY-GFCCVEGCSA-N 2 2 277.434 0.294 20 0 CCADLP Cc1nc(N2C[C@@H](C)[NH2+][C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000624406612 367878019 /nfs/dbraw/zinc/87/80/19/367878019.db2.gz HHZSUJXDMWMHIC-DTORHVGOSA-N 2 2 250.350 0.433 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000624380602 367862618 /nfs/dbraw/zinc/86/26/18/367862618.db2.gz LXYSBCKWGXZPPQ-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000624380602 367862626 /nfs/dbraw/zinc/86/26/26/367862626.db2.gz LXYSBCKWGXZPPQ-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP CCC[NH+]1CC[C@@H](NC(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000624380602 367862634 /nfs/dbraw/zinc/86/26/34/367862634.db2.gz LXYSBCKWGXZPPQ-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP CCC[NH+]1CC[C@@H](NC(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000624380602 367862638 /nfs/dbraw/zinc/86/26/38/367862638.db2.gz LXYSBCKWGXZPPQ-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000624336597 367837717 /nfs/dbraw/zinc/83/77/17/367837717.db2.gz UWBMYHMXKLBRSW-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000624336597 367837721 /nfs/dbraw/zinc/83/77/21/367837721.db2.gz UWBMYHMXKLBRSW-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000624336597 367837726 /nfs/dbraw/zinc/83/77/26/367837726.db2.gz UWBMYHMXKLBRSW-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000624336597 367837731 /nfs/dbraw/zinc/83/77/31/367837731.db2.gz UWBMYHMXKLBRSW-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP CC(C)(C)OC1CC([NH2+]CC[N@@H+]2CC[C@H](O)C2)C1 ZINC000624336444 367838154 /nfs/dbraw/zinc/83/81/54/367838154.db2.gz RGZROZPKNJXGRB-CPCZMJQVSA-N 2 2 256.390 0.989 20 0 CCADLP CC(C)(C)OC1CC([NH2+]CC[N@H+]2CC[C@H](O)C2)C1 ZINC000624336444 367838160 /nfs/dbraw/zinc/83/81/60/367838160.db2.gz RGZROZPKNJXGRB-CPCZMJQVSA-N 2 2 256.390 0.989 20 0 CCADLP COCC1(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000656199782 412764587 /nfs/dbraw/zinc/76/45/87/412764587.db2.gz DAXXQOVOEPMDGF-CHWSQXEVSA-N 2 2 254.374 0.770 20 0 CCADLP O=C(NCc1[nH]cc[nH+]1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000087619947 284013096 /nfs/dbraw/zinc/01/30/96/284013096.db2.gz HWXILHIMHPGHDO-GFCCVEGCSA-N 2 2 256.309 0.913 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CCc2c(nnn2C)C1 ZINC000656201217 412764187 /nfs/dbraw/zinc/76/41/87/412764187.db2.gz KRZKRULPCZPPFR-WOPDTQHZSA-N 2 2 279.388 0.029 20 0 CCADLP OC1(C[NH+]2CCC([NH+]3CCOCC3)CC2)CCC1 ZINC000625543998 368237637 /nfs/dbraw/zinc/23/76/37/368237637.db2.gz JJWBCMIJVHVVQD-UHFFFAOYSA-N 2 2 254.374 0.698 20 0 CCADLP CO[C@H](C[NH+]1CCC([NH+]2CCOCC2)CC1)[C@@H]1CCOC1 ZINC000625543975 368237698 /nfs/dbraw/zinc/23/76/98/368237698.db2.gz IWQOBGQIGLDPFQ-GDBMZVCRSA-N 2 2 298.427 0.835 20 0 CCADLP C([C@@H]1COCCO1)[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625544923 368237920 /nfs/dbraw/zinc/23/79/20/368237920.db2.gz HAWLFYOMGAGHMK-CQSZACIVSA-N 2 2 270.373 0.198 20 0 CCADLP CC[NH+]1CCC(NC(=O)CN2CCc3[nH+]c[nH]c3C2)CC1 ZINC000625441091 368202498 /nfs/dbraw/zinc/20/24/98/368202498.db2.gz WZVVLNWBVLYIOJ-UHFFFAOYSA-N 2 2 291.399 0.368 20 0 CCADLP CC[N@@H+]1CCO[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC000625677858 368293871 /nfs/dbraw/zinc/29/38/71/368293871.db2.gz QOMRYFAJSDLSMU-GFCCVEGCSA-N 2 2 266.345 0.028 20 0 CCADLP CC[N@H+]1CCO[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC000625677858 368293875 /nfs/dbraw/zinc/29/38/75/368293875.db2.gz QOMRYFAJSDLSMU-GFCCVEGCSA-N 2 2 266.345 0.028 20 0 CCADLP CN(CCOCC[NH3+])C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000625862531 368348701 /nfs/dbraw/zinc/34/87/01/368348701.db2.gz JRTUSISBZBRKMY-UHFFFAOYSA-N 2 2 277.328 0.773 20 0 CCADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000574199912 335000154 /nfs/dbraw/zinc/00/01/54/335000154.db2.gz UESKTIUMQDSMGH-UHFFFAOYSA-N 2 2 292.383 0.688 20 0 CCADLP Cc1[nH]c(CNC[C@H](O)C[NH+]2CCCC2)[nH+]c1C ZINC000566631840 291429002 /nfs/dbraw/zinc/42/90/02/291429002.db2.gz YYZDWJFGEABHIQ-LBPRGKRZSA-N 2 2 252.362 0.573 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1CNC(C)=O ZINC000626159991 368467233 /nfs/dbraw/zinc/46/72/33/368467233.db2.gz YJSOVFKKUOELBA-KBPBESRZSA-N 2 2 271.405 0.290 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1CNC(C)=O ZINC000626159991 368467237 /nfs/dbraw/zinc/46/72/37/368467237.db2.gz YJSOVFKKUOELBA-KBPBESRZSA-N 2 2 271.405 0.290 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1CNC(C)=O ZINC000626159991 368467241 /nfs/dbraw/zinc/46/72/41/368467241.db2.gz YJSOVFKKUOELBA-KBPBESRZSA-N 2 2 271.405 0.290 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1CNC(C)=O ZINC000626159991 368467245 /nfs/dbraw/zinc/46/72/45/368467245.db2.gz YJSOVFKKUOELBA-KBPBESRZSA-N 2 2 271.405 0.290 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)NCC[N@@H+]2CCOC[C@@H]2C)C[NH2+]1 ZINC000626969820 368702403 /nfs/dbraw/zinc/70/24/03/368702403.db2.gz HATLCQQNQFSLNZ-AGIUHOORSA-N 2 2 284.404 0.147 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)NCC[N@H+]2CCOC[C@@H]2C)C[NH2+]1 ZINC000626969820 368702409 /nfs/dbraw/zinc/70/24/09/368702409.db2.gz HATLCQQNQFSLNZ-AGIUHOORSA-N 2 2 284.404 0.147 20 0 CCADLP CCN(CC[NH3+])C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000626970262 368703697 /nfs/dbraw/zinc/70/36/97/368703697.db2.gz IVBADWZJPOYASE-NWDGAFQWSA-N 2 2 272.393 0.086 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000626934849 368685746 /nfs/dbraw/zinc/68/57/46/368685746.db2.gz PCKOCLSQGIMVDB-AGIUHOORSA-N 2 2 284.404 0.147 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CCC(N)=O)CC1 ZINC000330600433 203022409 /nfs/dbraw/zinc/02/24/09/203022409.db2.gz CULAQLHCDVFTCG-NSHDSACASA-N 2 2 270.377 0.396 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CCC(N)=O)CC1 ZINC000330600433 203022413 /nfs/dbraw/zinc/02/24/13/203022413.db2.gz CULAQLHCDVFTCG-NSHDSACASA-N 2 2 270.377 0.396 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632170537 370904680 /nfs/dbraw/zinc/90/46/80/370904680.db2.gz XSSYPCLSYFWXIX-VXGBXAGGSA-N 2 2 289.445 0.435 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632170537 370904684 /nfs/dbraw/zinc/90/46/84/370904684.db2.gz XSSYPCLSYFWXIX-VXGBXAGGSA-N 2 2 289.445 0.435 20 0 CCADLP CCN(CC[NH3+])C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000627040098 368750630 /nfs/dbraw/zinc/75/06/30/368750630.db2.gz AGZKMDISWAWUCP-SECBINFHSA-N 2 2 251.334 0.257 20 0 CCADLP CCN(CC[NH3+])C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000627040098 368750636 /nfs/dbraw/zinc/75/06/36/368750636.db2.gz AGZKMDISWAWUCP-SECBINFHSA-N 2 2 251.334 0.257 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NCC1([NH3+])CCOCC1 ZINC000627051310 368757713 /nfs/dbraw/zinc/75/77/13/368757713.db2.gz ANTWDHRJYGAKDX-LLVKDONJSA-N 2 2 295.387 0.771 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000627100669 368795659 /nfs/dbraw/zinc/79/56/59/368795659.db2.gz KHXACOOXBPTUBC-STQMWFEESA-N 2 2 284.404 0.148 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000627100669 368795665 /nfs/dbraw/zinc/79/56/65/368795665.db2.gz KHXACOOXBPTUBC-STQMWFEESA-N 2 2 284.404 0.148 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)N(C)Cc2[nH+]ccn2C)C[NH2+]1 ZINC000627203368 368871906 /nfs/dbraw/zinc/87/19/06/368871906.db2.gz WHEDAAZAAMVQCZ-MNOVXSKESA-N 2 2 265.361 0.702 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000627184201 368853356 /nfs/dbraw/zinc/85/33/56/368853356.db2.gz TXBLMMNBWMNWOE-IGQOVBAYSA-N 2 2 296.415 0.086 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000627184201 368853362 /nfs/dbraw/zinc/85/33/62/368853362.db2.gz TXBLMMNBWMNWOE-IGQOVBAYSA-N 2 2 296.415 0.086 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[C@H]3C[N@@H+](C)C[C@@H]31)CC2 ZINC000627488072 369021237 /nfs/dbraw/zinc/02/12/37/369021237.db2.gz QTLZRSKFLAOCRD-RDBSUJKOSA-N 2 2 288.395 0.916 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[C@H]3C[N@H+](C)C[C@@H]31)CC2 ZINC000627488072 369021241 /nfs/dbraw/zinc/02/12/41/369021241.db2.gz QTLZRSKFLAOCRD-RDBSUJKOSA-N 2 2 288.395 0.916 20 0 CCADLP C(CN1CCCOCC1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000656262408 412774692 /nfs/dbraw/zinc/77/46/92/412774692.db2.gz UHDOJFOOWJPNHG-MRXNPFEDSA-N 2 2 297.443 0.552 20 0 CCADLP C(C[N@@H+]1CCCOCC1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000656262408 412774696 /nfs/dbraw/zinc/77/46/96/412774696.db2.gz UHDOJFOOWJPNHG-MRXNPFEDSA-N 2 2 297.443 0.552 20 0 CCADLP C(C[N@H+]1CCCOCC1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000656262408 412774700 /nfs/dbraw/zinc/77/47/00/412774700.db2.gz UHDOJFOOWJPNHG-MRXNPFEDSA-N 2 2 297.443 0.552 20 0 CCADLP COCC[NH+]1CCN(Cc2[nH]c(C)c(C)[nH+]2)CC1 ZINC000628126495 369187769 /nfs/dbraw/zinc/18/77/69/369187769.db2.gz UHNYNIRGDIWBKO-UHFFFAOYSA-N 2 2 252.362 0.791 20 0 CCADLP Cc1[nH]c(CN(C)C[C@@H](O)C[NH+]2CCOCC2)[nH+]c1C ZINC000628181601 369205551 /nfs/dbraw/zinc/20/55/51/369205551.db2.gz JBNBTKDNRHJCFG-CYBMUJFWSA-N 2 2 282.388 0.151 20 0 CCADLP CS[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1[NH+](C)C ZINC000330753897 203191452 /nfs/dbraw/zinc/19/14/52/203191452.db2.gz DXBMYXHQAYWCKW-RYUDHWBXSA-N 2 2 282.413 0.846 20 0 CCADLP CS[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1[NH+](C)C ZINC000330753897 203191454 /nfs/dbraw/zinc/19/14/54/203191454.db2.gz DXBMYXHQAYWCKW-RYUDHWBXSA-N 2 2 282.413 0.846 20 0 CCADLP COC(=O)[C@@](C)(O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330747751 203185272 /nfs/dbraw/zinc/18/52/72/203185272.db2.gz XJOVMUFBTDCLQH-ZDUSSCGKSA-N 2 2 267.329 0.513 20 0 CCADLP CS[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH+](C)C ZINC000330753898 203194394 /nfs/dbraw/zinc/19/43/94/203194394.db2.gz DXBMYXHQAYWCKW-VXGBXAGGSA-N 2 2 282.413 0.846 20 0 CCADLP CS[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH+](C)C ZINC000330753898 203194396 /nfs/dbraw/zinc/19/43/96/203194396.db2.gz DXBMYXHQAYWCKW-VXGBXAGGSA-N 2 2 282.413 0.846 20 0 CCADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)CO)C1 ZINC000330808158 203261148 /nfs/dbraw/zinc/26/11/48/203261148.db2.gz LWWGAMPTVBFPSH-VHDGCEQUSA-N 2 2 264.369 0.765 20 0 CCADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CO)C1 ZINC000330808158 203261151 /nfs/dbraw/zinc/26/11/51/203261151.db2.gz LWWGAMPTVBFPSH-VHDGCEQUSA-N 2 2 264.369 0.765 20 0 CCADLP COCCn1cc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cn1 ZINC000629410518 369667610 /nfs/dbraw/zinc/66/76/10/369667610.db2.gz GADIIJXCKYAPJQ-WCQYABFASA-N 2 2 252.362 0.760 20 0 CCADLP CNC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629561202 369708787 /nfs/dbraw/zinc/70/87/87/369708787.db2.gz GSRCZPMQQSPRFX-YUMQZZPRSA-N 2 2 253.268 0.192 20 0 CCADLP CNC(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629561202 369708788 /nfs/dbraw/zinc/70/87/88/369708788.db2.gz GSRCZPMQQSPRFX-YUMQZZPRSA-N 2 2 253.268 0.192 20 0 CCADLP C[NH2+]CCOCC[N@H+](C)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000629569682 369714135 /nfs/dbraw/zinc/71/41/35/369714135.db2.gz QXLYNDMPCSHDAS-CYBMUJFWSA-N 2 2 283.347 0.520 20 0 CCADLP C[NH2+]CCOCC[N@@H+](C)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000629569682 369714140 /nfs/dbraw/zinc/71/41/40/369714140.db2.gz QXLYNDMPCSHDAS-CYBMUJFWSA-N 2 2 283.347 0.520 20 0 CCADLP Cc1c[nH+]ccc1CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629570718 369716602 /nfs/dbraw/zinc/71/66/02/369716602.db2.gz BSVBQSBPTLYGCN-OAHLLOKOSA-N 3 2 263.385 0.979 20 0 CCADLP C[NH2+]CCOCC[N@H+](C)Cc1ncnn1-c1ccccc1 ZINC000629572528 369718287 /nfs/dbraw/zinc/71/82/87/369718287.db2.gz WAWJRJHOPQDCJB-UHFFFAOYSA-N 2 2 289.383 0.935 20 0 CCADLP C[NH2+]CCOCC[N@@H+](C)Cc1ncnn1-c1ccccc1 ZINC000629572528 369718291 /nfs/dbraw/zinc/71/82/91/369718291.db2.gz WAWJRJHOPQDCJB-UHFFFAOYSA-N 2 2 289.383 0.935 20 0 CCADLP C[N@H+](CCOCC[NH3+])CC(=O)Nc1ccc(Cl)cn1 ZINC000629576797 369719158 /nfs/dbraw/zinc/71/91/58/369719158.db2.gz CVBRHAAHMPBEJO-UHFFFAOYSA-N 2 2 286.763 0.581 20 0 CCADLP C[N@@H+](CCOCC[NH3+])CC(=O)Nc1ccc(Cl)cn1 ZINC000629576797 369719160 /nfs/dbraw/zinc/71/91/60/369719160.db2.gz CVBRHAAHMPBEJO-UHFFFAOYSA-N 2 2 286.763 0.581 20 0 CCADLP c1cnc(N2CC[NH+]([C@H]3CCC[NH2+]CC3)CC2)nn1 ZINC000629512590 369688227 /nfs/dbraw/zinc/68/82/27/369688227.db2.gz HTIMZIMIQVBHJG-LBPRGKRZSA-N 2 2 262.361 0.136 20 0 CCADLP CN(C)S(=O)(=O)CC[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000629535402 369694468 /nfs/dbraw/zinc/69/44/68/369694468.db2.gz GDFWZZPJCKXNIG-LBPRGKRZSA-N 2 2 277.434 0.375 20 0 CCADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCOC1CCOCC1)C2 ZINC000629545844 369699334 /nfs/dbraw/zinc/69/93/34/369699334.db2.gz ADXLZKWHYNSDIN-TZMCWYRMSA-N 2 2 254.374 0.995 20 0 CCADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCOC1CCOCC1)C2 ZINC000629545844 369699338 /nfs/dbraw/zinc/69/93/38/369699338.db2.gz ADXLZKWHYNSDIN-TZMCWYRMSA-N 2 2 254.374 0.995 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000629550383 369702768 /nfs/dbraw/zinc/70/27/68/369702768.db2.gz YCYBZFXNEYAEPM-FMKGYKFTSA-N 2 2 254.374 0.911 20 0 CCADLP COc1cc(C)[nH+]c(CNCc2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000629652587 369748084 /nfs/dbraw/zinc/74/80/84/369748084.db2.gz IRIIGCKKIFCUBW-UHFFFAOYSA-N 2 2 289.339 0.643 20 0 CCADLP CC(C)(C)n1cc(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cn1 ZINC000629652553 369748243 /nfs/dbraw/zinc/74/82/43/369748243.db2.gz GZOBQHBMZMUTMP-UHFFFAOYSA-N 2 2 290.371 0.882 20 0 CCADLP Cn1c(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)nc2ccccc21 ZINC000629653612 369749024 /nfs/dbraw/zinc/74/90/24/369749024.db2.gz RAWPKPOBHIKMGF-UHFFFAOYSA-N 2 2 298.350 0.817 20 0 CCADLP O[C@@H](CNCc1c[nH+]c2n1CCCC2)C[NH+]1CCCC1 ZINC000629581128 369725205 /nfs/dbraw/zinc/72/52/05/369725205.db2.gz OADTXKNPUKBJIK-AWEZNQCLSA-N 2 2 278.400 0.766 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629593815 369732020 /nfs/dbraw/zinc/73/20/20/369732020.db2.gz KOQLAMPVXVUSEN-CWRNSKLLSA-N 2 2 297.443 0.849 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629593815 369732023 /nfs/dbraw/zinc/73/20/23/369732023.db2.gz KOQLAMPVXVUSEN-CWRNSKLLSA-N 2 2 297.443 0.849 20 0 CCADLP CCOC[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000629601899 369736527 /nfs/dbraw/zinc/73/65/27/369736527.db2.gz OHAVVAYUSIMYHZ-KGLIPLIRSA-N 2 2 256.390 0.990 20 0 CCADLP CCOC[C@@H](O)C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000629601899 369736529 /nfs/dbraw/zinc/73/65/29/369736529.db2.gz OHAVVAYUSIMYHZ-KGLIPLIRSA-N 2 2 256.390 0.990 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)C[N@H+](C)C1CCC1 ZINC000629956391 369852831 /nfs/dbraw/zinc/85/28/31/369852831.db2.gz DHMGKVDPZLLIRR-UHFFFAOYSA-N 2 2 269.389 0.261 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)C[N@@H+](C)C1CCC1 ZINC000629956391 369852834 /nfs/dbraw/zinc/85/28/34/369852834.db2.gz DHMGKVDPZLLIRR-UHFFFAOYSA-N 2 2 269.389 0.261 20 0 CCADLP C[NH2+]C1(CNC(=O)c2ccc(-n3cc[nH+]c3)nn2)CCC1 ZINC000629999859 369883271 /nfs/dbraw/zinc/88/32/71/369883271.db2.gz CATUZRPNLVIZHC-UHFFFAOYSA-N 2 2 286.339 0.534 20 0 CCADLP CO[C@@H]1C[N@H+](CCC(=O)NC2CCCC2)[C@](C)(C[NH3+])C1 ZINC000630362557 370064481 /nfs/dbraw/zinc/06/44/81/370064481.db2.gz XGOWGEYNPMCYQL-ZFWWWQNUSA-N 2 2 283.416 0.873 20 0 CCADLP CO[C@@H]1C[N@@H+](CCC(=O)NC2CCCC2)[C@](C)(C[NH3+])C1 ZINC000630362557 370064485 /nfs/dbraw/zinc/06/44/85/370064485.db2.gz XGOWGEYNPMCYQL-ZFWWWQNUSA-N 2 2 283.416 0.873 20 0 CCADLP Cc1cc(NCCNC2=[NH+]CCCN2)nc(C(C)C)[nH+]1 ZINC000630387454 370088771 /nfs/dbraw/zinc/08/87/71/370088771.db2.gz PUGGWRWFAHEKBT-UHFFFAOYSA-N 2 2 276.388 0.681 20 0 CCADLP COC1CC[NH+](Cc2cn(CC(C)(C)C[NH3+])nn2)CC1 ZINC000630592385 370194075 /nfs/dbraw/zinc/19/40/75/370194075.db2.gz PARGQULISZLTBS-UHFFFAOYSA-N 2 2 281.404 0.874 20 0 CCADLP c1c(C[NH+]2CCSCC2)nnn1C[C@H]1CCC[NH2+]1 ZINC000630605132 370204430 /nfs/dbraw/zinc/20/44/30/370204430.db2.gz XIGMKDNIWFFHNJ-LLVKDONJSA-N 2 2 267.402 0.579 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631001719 370356367 /nfs/dbraw/zinc/35/63/67/370356367.db2.gz RJOQLKODJGJCEJ-IJLUTSLNSA-N 2 2 265.361 0.508 20 0 CCADLP CC(C)n1ncnc1C[NH2+]CCCCN1CC[NH+](C)CC1 ZINC000631041753 370366403 /nfs/dbraw/zinc/36/64/03/370366403.db2.gz SGNQSIACUNRJCF-UHFFFAOYSA-N 2 2 294.447 0.976 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631068780 370374102 /nfs/dbraw/zinc/37/41/02/370374102.db2.gz HOYBDYHUCLSIIT-LBPRGKRZSA-N 2 2 250.346 0.123 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631068780 370374105 /nfs/dbraw/zinc/37/41/05/370374105.db2.gz HOYBDYHUCLSIIT-LBPRGKRZSA-N 2 2 250.346 0.123 20 0 CCADLP Cc1nc(N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)nc(N)[nH+]1 ZINC000631072333 370376843 /nfs/dbraw/zinc/37/68/43/370376843.db2.gz TXWRHYRZIORCOW-AXFHLTTASA-N 2 2 278.404 0.793 20 0 CCADLP Cc1nc(N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)nc(N)[nH+]1 ZINC000631072333 370376848 /nfs/dbraw/zinc/37/68/48/370376848.db2.gz TXWRHYRZIORCOW-AXFHLTTASA-N 2 2 278.404 0.793 20 0 CCADLP CN(Cc1[nH+]ccn1C)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631680091 370634328 /nfs/dbraw/zinc/63/43/28/370634328.db2.gz NWDNYIBNKFWZTM-UHFFFAOYSA-N 2 2 286.401 0.276 20 0 CCADLP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000331938757 204315188 /nfs/dbraw/zinc/31/51/88/204315188.db2.gz FPTHUGCCKBJPCJ-UONOGXRCSA-N 3 2 282.432 0.400 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000633109683 371401345 /nfs/dbraw/zinc/40/13/45/371401345.db2.gz HMHKRNYMWZWRFT-NSHDSACASA-N 2 2 293.371 0.098 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000633109683 371401350 /nfs/dbraw/zinc/40/13/50/371401350.db2.gz HMHKRNYMWZWRFT-NSHDSACASA-N 2 2 293.371 0.098 20 0 CCADLP CCC1([NH+](C)C)CCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000640037194 376206766 /nfs/dbraw/zinc/20/67/66/376206766.db2.gz RVYAJMLVLDOGNB-HNNXBMFYSA-N 2 2 299.459 0.486 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000633481537 371568712 /nfs/dbraw/zinc/56/87/12/371568712.db2.gz OBMXKAXKVDZVES-CQSZACIVSA-N 2 2 294.399 0.626 20 0 CCADLP Cc1[nH]c2ccc(-n3cc(COCC[NH3+])nn3)cc2[nH+]1 ZINC000656438730 412792756 /nfs/dbraw/zinc/79/27/56/412792756.db2.gz CVIABJCLAWOFHZ-UHFFFAOYSA-N 2 2 272.312 0.927 20 0 CCADLP Cc1[nH]c2cc(-n3cc(COCC[NH3+])nn3)ccc2[nH+]1 ZINC000656438730 412792761 /nfs/dbraw/zinc/79/27/61/412792761.db2.gz CVIABJCLAWOFHZ-UHFFFAOYSA-N 2 2 272.312 0.927 20 0 CCADLP C[NH+](C)CCCn1cc(C[NH+]2CCSCC2)nn1 ZINC000656437061 412793091 /nfs/dbraw/zinc/79/30/91/412793091.db2.gz GUEDPGWEGNUBAU-UHFFFAOYSA-N 2 2 269.418 0.779 20 0 CCADLP C[C@@H](O)C[N@H+](C)C1CC[NH+]([C@@H]2CCN(C3CC3)C2=O)CC1 ZINC000361400931 296176875 /nfs/dbraw/zinc/17/68/75/296176875.db2.gz TWEKCLFQDAFJGG-IUODEOHRSA-N 2 2 295.427 0.527 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+]([C@@H]2CCN(C3CC3)C2=O)CC1 ZINC000361400931 296176877 /nfs/dbraw/zinc/17/68/77/296176877.db2.gz TWEKCLFQDAFJGG-IUODEOHRSA-N 2 2 295.427 0.527 20 0 CCADLP Cc1[nH]c2ccc(-n3cc([C@@H]([NH3+])CO)nn3)cc2[nH+]1 ZINC000656438651 412793275 /nfs/dbraw/zinc/79/32/75/412793275.db2.gz ADZYXFNFTAVKAK-VIFPVBQESA-N 2 2 258.285 0.444 20 0 CCADLP Cc1[nH]c2cc(-n3cc([C@@H]([NH3+])CO)nn3)ccc2[nH+]1 ZINC000656438651 412793279 /nfs/dbraw/zinc/79/32/79/412793279.db2.gz ADZYXFNFTAVKAK-VIFPVBQESA-N 2 2 258.285 0.444 20 0 CCADLP O=C(NC[C@@H]1CCCC[NH2+]1)N1CCn2c[nH+]cc2C1 ZINC000634297924 372003344 /nfs/dbraw/zinc/00/33/44/372003344.db2.gz IEMJPNZQHVITIN-NSHDSACASA-N 2 2 263.345 0.550 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634763788 372210940 /nfs/dbraw/zinc/21/09/40/372210940.db2.gz CXHZVHLXUQNPJV-RYUDHWBXSA-N 3 2 270.421 0.160 20 0 CCADLP C[C@H]([NH3+])CNc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000634808892 372249821 /nfs/dbraw/zinc/24/98/21/372249821.db2.gz FTMFGALSGDFBER-JTQLQIEISA-N 2 2 265.361 0.587 20 0 CCADLP COCCC[N@H+](C)CC[NH2+][C@H]1CCNC(=O)CC1 ZINC000634963906 372316169 /nfs/dbraw/zinc/31/61/69/372316169.db2.gz HTWMLNFRTQSOEX-GFCCVEGCSA-N 2 2 257.378 0.213 20 0 CCADLP COCCC[N@@H+](C)CC[NH2+][C@H]1CCNC(=O)CC1 ZINC000634963906 372316174 /nfs/dbraw/zinc/31/61/74/372316174.db2.gz HTWMLNFRTQSOEX-GFCCVEGCSA-N 2 2 257.378 0.213 20 0 CCADLP CCC[C@H](CCO)[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000635006172 372339939 /nfs/dbraw/zinc/33/99/39/372339939.db2.gz XSIISIFJVNKULH-HZSPNIEDSA-N 2 2 256.390 0.894 20 0 CCADLP C[NH+](C)CC1(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000635467328 372536151 /nfs/dbraw/zinc/53/61/51/372536151.db2.gz QGDKBRBKIWHTDG-UHFFFAOYSA-N 2 2 283.416 0.555 20 0 CCADLP C[NH+](C)CC1(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000635467328 372536155 /nfs/dbraw/zinc/53/61/55/372536155.db2.gz QGDKBRBKIWHTDG-UHFFFAOYSA-N 2 2 283.416 0.555 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC000635495309 372559721 /nfs/dbraw/zinc/55/97/21/372559721.db2.gz JILXYMSDMQFIRH-UHFFFAOYSA-N 2 2 262.357 0.912 20 0 CCADLP Cc1nc[nH]c1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000635552365 372618966 /nfs/dbraw/zinc/61/89/66/372618966.db2.gz URZGUKABSSKLFU-GFCCVEGCSA-N 2 2 291.399 0.616 20 0 CCADLP Cc1nc[nH]c1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000635552365 372618972 /nfs/dbraw/zinc/61/89/72/372618972.db2.gz URZGUKABSSKLFU-GFCCVEGCSA-N 2 2 291.399 0.616 20 0 CCADLP COCC[NH+]1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000635556875 372624244 /nfs/dbraw/zinc/62/42/44/372624244.db2.gz SZOJFSQHBRSDQV-UHFFFAOYSA-N 2 2 269.389 0.119 20 0 CCADLP CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000568074840 291551497 /nfs/dbraw/zinc/55/14/97/291551497.db2.gz UXNWGGHMBGONHW-YVECIDJPSA-N 2 2 258.362 0.147 20 0 CCADLP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](C)CS(C)(=O)=O)C1 ZINC000119502010 284353585 /nfs/dbraw/zinc/35/35/85/284353585.db2.gz XMKVNWDINFTLQW-CHWSQXEVSA-N 2 2 276.446 0.941 20 0 CCADLP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](C)CS(C)(=O)=O)C1 ZINC000119502010 284353587 /nfs/dbraw/zinc/35/35/87/284353587.db2.gz XMKVNWDINFTLQW-CHWSQXEVSA-N 2 2 276.446 0.941 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](C)CS(C)(=O)=O)C1 ZINC000119502010 284353591 /nfs/dbraw/zinc/35/35/91/284353591.db2.gz XMKVNWDINFTLQW-CHWSQXEVSA-N 2 2 276.446 0.941 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](C)CS(C)(=O)=O)C1 ZINC000119502010 284353595 /nfs/dbraw/zinc/35/35/95/284353595.db2.gz XMKVNWDINFTLQW-CHWSQXEVSA-N 2 2 276.446 0.941 20 0 CCADLP CCc1c[nH]c(CC(=O)NCC2=CC[N@H+](C)CC2)[nH+]1 ZINC000635769888 372883077 /nfs/dbraw/zinc/88/30/77/372883077.db2.gz RERGHNBXRKFUHA-UHFFFAOYSA-N 2 2 262.357 0.893 20 0 CCADLP CCc1c[nH]c(CC(=O)NCC2=CC[N@@H+](C)CC2)[nH+]1 ZINC000635769888 372883085 /nfs/dbraw/zinc/88/30/85/372883085.db2.gz RERGHNBXRKFUHA-UHFFFAOYSA-N 2 2 262.357 0.893 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1CCO ZINC000635823596 372960822 /nfs/dbraw/zinc/96/08/22/372960822.db2.gz QOXDNXMEJHZFQL-CYBMUJFWSA-N 2 2 285.432 0.489 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+](C)CC(C)(C)C)CC[N@H+]1CCO ZINC000635823596 372960827 /nfs/dbraw/zinc/96/08/27/372960827.db2.gz QOXDNXMEJHZFQL-CYBMUJFWSA-N 2 2 285.432 0.489 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[NH+]1CCO ZINC000635823596 372960831 /nfs/dbraw/zinc/96/08/31/372960831.db2.gz QOXDNXMEJHZFQL-CYBMUJFWSA-N 2 2 285.432 0.489 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[NH+]1CCO ZINC000635823596 372960837 /nfs/dbraw/zinc/96/08/37/372960837.db2.gz QOXDNXMEJHZFQL-CYBMUJFWSA-N 2 2 285.432 0.489 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@@H+]1CCO ZINC000635823130 372961547 /nfs/dbraw/zinc/96/15/47/372961547.db2.gz GWTFZMHUGYRHBB-QJPTWQEYSA-N 2 2 278.356 0.038 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@H+]1CCO ZINC000635823130 372961551 /nfs/dbraw/zinc/96/15/51/372961551.db2.gz GWTFZMHUGYRHBB-QJPTWQEYSA-N 2 2 278.356 0.038 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@@H+]1CCO ZINC000635823130 372961556 /nfs/dbraw/zinc/96/15/56/372961556.db2.gz GWTFZMHUGYRHBB-QJPTWQEYSA-N 2 2 278.356 0.038 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@H+]1CCO ZINC000635823130 372961561 /nfs/dbraw/zinc/96/15/61/372961561.db2.gz GWTFZMHUGYRHBB-QJPTWQEYSA-N 2 2 278.356 0.038 20 0 CCADLP [NH3+][C@@H]1CCCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000333407494 205295537 /nfs/dbraw/zinc/29/55/37/205295537.db2.gz QTMWTMZLUJWUSZ-OLZOCXBDSA-N 2 2 289.383 0.793 20 0 CCADLP [NH3+][C@H](c1cn(-c2cc[nH+]c(CO)c2)nn1)[C@H]1CCCO1 ZINC000656458997 412805787 /nfs/dbraw/zinc/80/57/87/412805787.db2.gz LHNQNKXJXMQBLI-CHWSQXEVSA-N 2 2 275.312 0.333 20 0 CCADLP C[NH+](C)CC1(C(=O)N[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000635917411 373102696 /nfs/dbraw/zinc/10/26/96/373102696.db2.gz BMFMNVKVQRZCFR-NSHDSACASA-N 2 2 262.357 0.656 20 0 CCADLP CC(C)C[C@H](C(=O)N[C@H](CO)C[NH+](C)C)n1cc[nH+]c1 ZINC000635929125 373118879 /nfs/dbraw/zinc/11/88/79/373118879.db2.gz QKFIYSUYJOKFHO-QWHCGFSZSA-N 2 2 282.388 0.509 20 0 CCADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636012149 373243683 /nfs/dbraw/zinc/24/36/83/373243683.db2.gz SKOIXTCUKJANAW-QJPTWQEYSA-N 2 2 278.356 0.038 20 0 CCADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636012149 373243689 /nfs/dbraw/zinc/24/36/89/373243689.db2.gz SKOIXTCUKJANAW-QJPTWQEYSA-N 2 2 278.356 0.038 20 0 CCADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636012149 373243693 /nfs/dbraw/zinc/24/36/93/373243693.db2.gz SKOIXTCUKJANAW-QJPTWQEYSA-N 2 2 278.356 0.038 20 0 CCADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636012149 373243697 /nfs/dbraw/zinc/24/36/97/373243697.db2.gz SKOIXTCUKJANAW-QJPTWQEYSA-N 2 2 278.356 0.038 20 0 CCADLP C[NH+](C)CC1(C(=O)N[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000636074620 373330543 /nfs/dbraw/zinc/33/05/43/373330543.db2.gz LKCHRFFOHSQUQZ-NSHDSACASA-N 2 2 262.357 0.656 20 0 CCADLP CC[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435622227 284399378 /nfs/dbraw/zinc/39/93/78/284399378.db2.gz CGJQHCDVOUSTNL-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP CC[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435622227 284399383 /nfs/dbraw/zinc/39/93/83/284399383.db2.gz CGJQHCDVOUSTNL-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP CC[N@H+](CCNC(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000636714140 373721087 /nfs/dbraw/zinc/72/10/87/373721087.db2.gz KUQYFOHRXOZWGO-NSHDSACASA-N 2 2 277.372 0.591 20 0 CCADLP CC[N@@H+](CCNC(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000636714140 373721097 /nfs/dbraw/zinc/72/10/97/373721097.db2.gz KUQYFOHRXOZWGO-NSHDSACASA-N 2 2 277.372 0.591 20 0 CCADLP C[NH+](C)[C@H]1CCCN(C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000637441634 374160224 /nfs/dbraw/zinc/16/02/24/374160224.db2.gz APXRQNSVCXTOSV-STQMWFEESA-N 2 2 284.404 0.053 20 0 CCADLP C[NH+](C)[C@H]1CCCN(C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000637441634 374160229 /nfs/dbraw/zinc/16/02/29/374160229.db2.gz APXRQNSVCXTOSV-STQMWFEESA-N 2 2 284.404 0.053 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H](C[NH3+])C1CC1)CC2 ZINC000637855613 374414015 /nfs/dbraw/zinc/41/40/15/374414015.db2.gz WMAKIWSMILUMMW-NEPJUHHUSA-N 2 2 262.357 0.607 20 0 CCADLP C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000637863266 374423817 /nfs/dbraw/zinc/42/38/17/374423817.db2.gz WSDCLFVFDLBDTQ-QWHCGFSZSA-N 2 2 276.384 0.964 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2cccc3cnccc32)[C@@H](C[NH3+])C1 ZINC000637864217 374425506 /nfs/dbraw/zinc/42/55/06/374425506.db2.gz OUCRWGINFUYDDI-HNNXBMFYSA-N 2 2 298.390 0.879 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2cccc3cnccc32)[C@@H](C[NH3+])C1 ZINC000637864217 374425510 /nfs/dbraw/zinc/42/55/10/374425510.db2.gz OUCRWGINFUYDDI-HNNXBMFYSA-N 2 2 298.390 0.879 20 0 CCADLP C[NH+]1CCN(C[C@H]2C[N@H+](CCC[C@H]3CCO3)CCO2)CC1 ZINC000638053116 374596525 /nfs/dbraw/zinc/59/65/25/374596525.db2.gz QOVPELHWGLUXIL-JKSUJKDBSA-N 2 2 297.443 0.504 20 0 CCADLP C[NH+]1CCN(C[C@H]2C[N@@H+](CCC[C@H]3CCO3)CCO2)CC1 ZINC000638053116 374596541 /nfs/dbraw/zinc/59/65/41/374596541.db2.gz QOVPELHWGLUXIL-JKSUJKDBSA-N 2 2 297.443 0.504 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H]([NH3+])CCC(C)C)CC1 ZINC000638054621 374598324 /nfs/dbraw/zinc/59/83/24/374598324.db2.gz FGUBGFTVXVJDFS-ZDUSSCGKSA-N 2 2 271.405 0.541 20 0 CCADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000638071458 374621636 /nfs/dbraw/zinc/62/16/36/374621636.db2.gz DMIZFOLWHLDCHK-SWLSCSKDSA-N 2 2 292.383 0.767 20 0 CCADLP O=C(CN1CC[NH2+]CC1)NCCCCNc1cccc[nH+]1 ZINC000638097965 374661838 /nfs/dbraw/zinc/66/18/38/374661838.db2.gz YLZBTMBRUFGIQR-UHFFFAOYSA-N 2 2 291.399 0.295 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)CC2 ZINC000638176881 374761637 /nfs/dbraw/zinc/76/16/37/374761637.db2.gz HRYFPKUDBDTXNF-RAIGVLPGSA-N 2 2 276.384 0.868 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)[nH+]1 ZINC000638226271 374813343 /nfs/dbraw/zinc/81/33/43/374813343.db2.gz HKFROHYXNKZTTC-VXGBXAGGSA-N 2 2 278.356 0.104 20 0 CCADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N(C)Cc2[nH+]ccn2C)C1 ZINC000638270712 374872555 /nfs/dbraw/zinc/87/25/55/374872555.db2.gz GOYWWAKWPLYYAZ-GXFFZTMASA-N 2 2 266.345 0.146 20 0 CCADLP [NH3+][C@H]1CC=C(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000638290656 374899046 /nfs/dbraw/zinc/89/90/46/374899046.db2.gz UBOAZVRMQJZROX-QWHCGFSZSA-N 2 2 272.352 0.824 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H](CC[NH3+])C(F)F)CC2 ZINC000638256846 374853266 /nfs/dbraw/zinc/85/32/66/374853266.db2.gz UKPOCRWGYLEBPZ-ZJUUUORDSA-N 2 2 286.326 0.853 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N(C)[C@@H](C[NH3+])C1CC1)CC2 ZINC000638332086 374933246 /nfs/dbraw/zinc/93/32/46/374933246.db2.gz MZGKVMJMFNVYKO-STQMWFEESA-N 2 2 276.384 0.950 20 0 CCADLP C[C@@H](CNCc1c[nH+]c(N)nc1N)[N@@H+]1CCC[C@H](C)C1 ZINC000638363708 374960727 /nfs/dbraw/zinc/96/07/27/374960727.db2.gz PSOLUSJMGKZHFH-QWRGUYRKSA-N 2 2 278.404 0.512 20 0 CCADLP C[C@@H](CNCc1c[nH+]c(N)nc1N)[N@H+]1CCC[C@H](C)C1 ZINC000638363708 374960732 /nfs/dbraw/zinc/96/07/32/374960732.db2.gz PSOLUSJMGKZHFH-QWRGUYRKSA-N 2 2 278.404 0.512 20 0 CCADLP C[C@H](CNCc1c[nH+]c(N)nc1N)[N@@H+]1CCC[C@@H](C)C1 ZINC000638363706 374961310 /nfs/dbraw/zinc/96/13/10/374961310.db2.gz PSOLUSJMGKZHFH-GHMZBOCLSA-N 2 2 278.404 0.512 20 0 CCADLP C[C@H](CNCc1c[nH+]c(N)nc1N)[N@H+]1CCC[C@@H](C)C1 ZINC000638363706 374961315 /nfs/dbraw/zinc/96/13/15/374961315.db2.gz PSOLUSJMGKZHFH-GHMZBOCLSA-N 2 2 278.404 0.512 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(N)nc1 ZINC000638410346 375008854 /nfs/dbraw/zinc/00/88/54/375008854.db2.gz ZIONNRPDCFSUFH-UHFFFAOYSA-N 2 2 279.388 0.107 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(N)nc1 ZINC000638410346 375008860 /nfs/dbraw/zinc/00/88/60/375008860.db2.gz ZIONNRPDCFSUFH-UHFFFAOYSA-N 2 2 279.388 0.107 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638428663 375026944 /nfs/dbraw/zinc/02/69/44/375026944.db2.gz XWSWILNIEBVVAE-GWCFXTLKSA-N 2 2 266.345 0.459 20 0 CCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000638488991 375082500 /nfs/dbraw/zinc/08/25/00/375082500.db2.gz JSAXJBZIDUAMOC-FZMZJTMJSA-N 2 2 291.399 0.557 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](OC)[C@H]1CCOC1 ZINC000638511399 375101042 /nfs/dbraw/zinc/10/10/42/375101042.db2.gz ZYKOYRQJUIGXDY-RRFJBIMHSA-N 2 2 286.416 0.738 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](OC)[C@H]1CCOC1 ZINC000638511399 375101049 /nfs/dbraw/zinc/10/10/49/375101049.db2.gz ZYKOYRQJUIGXDY-RRFJBIMHSA-N 2 2 286.416 0.738 20 0 CCADLP COc1cccc(C)c1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000638439667 375043597 /nfs/dbraw/zinc/04/35/97/375043597.db2.gz KAGOLXDAXDXRLY-UHFFFAOYSA-N 2 2 291.395 0.867 20 0 CCADLP CCN(CC[NH3+])C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000638517608 375109221 /nfs/dbraw/zinc/10/92/21/375109221.db2.gz BCVKYQKRXPYWBM-UHFFFAOYSA-N 2 2 263.332 0.771 20 0 CCADLP Cc1cnc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)o1 ZINC000638553495 375138305 /nfs/dbraw/zinc/13/83/05/375138305.db2.gz SMZJJQMKLTWCSU-GFCCVEGCSA-N 2 2 266.389 0.956 20 0 CCADLP C[NH2+]CCOCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000638576649 375156189 /nfs/dbraw/zinc/15/61/89/375156189.db2.gz PNXJPUKPERCDCE-LLVKDONJSA-N 2 2 254.334 0.186 20 0 CCADLP C[NH2+]CCOCCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000638578932 375159195 /nfs/dbraw/zinc/15/91/95/375159195.db2.gz WVDSPZHIUKWKFK-UHFFFAOYSA-N 2 2 290.367 0.537 20 0 CCADLP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000638631723 375236670 /nfs/dbraw/zinc/23/66/70/375236670.db2.gz WQCMYLWGVDOOHS-IYKVGLELSA-N 2 2 257.378 0.194 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C[NH2+]1 ZINC000638643300 375248144 /nfs/dbraw/zinc/24/81/44/375248144.db2.gz JJQFTJVTTMQUEE-WOPDTQHZSA-N 2 2 262.357 0.702 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000638609688 375189238 /nfs/dbraw/zinc/18/92/38/375189238.db2.gz GKWTXWTWRMPVOF-LSDHHAIUSA-N 2 2 291.395 0.913 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000638609688 375189249 /nfs/dbraw/zinc/18/92/49/375189249.db2.gz GKWTXWTWRMPVOF-LSDHHAIUSA-N 2 2 291.395 0.913 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)CC1(C[NH3+])CCCCC1 ZINC000638611279 375192303 /nfs/dbraw/zinc/19/23/03/375192303.db2.gz NNIXFTHCMQAXLQ-ZDUSSCGKSA-N 2 2 283.416 0.733 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)CC1(C[NH3+])CCCCC1 ZINC000638611279 375192309 /nfs/dbraw/zinc/19/23/09/375192309.db2.gz NNIXFTHCMQAXLQ-ZDUSSCGKSA-N 2 2 283.416 0.733 20 0 CCADLP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H]2COCC[N@@H+]2C)cc1 ZINC000638611795 375194968 /nfs/dbraw/zinc/19/49/68/375194968.db2.gz QIWLDQWPPKWKJI-RISCZKNCSA-N 2 2 277.368 0.767 20 0 CCADLP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H]2COCC[N@H+]2C)cc1 ZINC000638611795 375194970 /nfs/dbraw/zinc/19/49/70/375194970.db2.gz QIWLDQWPPKWKJI-RISCZKNCSA-N 2 2 277.368 0.767 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3COCC[NH2+]3)ccn12 ZINC000638613366 375198407 /nfs/dbraw/zinc/19/84/07/375198407.db2.gz IVOLIYCRVWCJKI-GFCCVEGCSA-N 2 2 274.324 0.361 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3COCC[NH2+]3)ccn12 ZINC000638613367 375199657 /nfs/dbraw/zinc/19/96/57/375199657.db2.gz IVOLIYCRVWCJKI-LBPRGKRZSA-N 2 2 274.324 0.361 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000638670086 375272679 /nfs/dbraw/zinc/27/26/79/375272679.db2.gz CPIOWNMMJLPHGG-ZDUSSCGKSA-N 3 2 292.383 0.386 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638949791 375481219 /nfs/dbraw/zinc/48/12/19/375481219.db2.gz DKKDHUOWRIAWAK-XYPYZODXSA-N 2 2 250.346 0.894 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638949791 375481225 /nfs/dbraw/zinc/48/12/25/375481225.db2.gz DKKDHUOWRIAWAK-XYPYZODXSA-N 2 2 250.346 0.894 20 0 CCADLP C[C@H](C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[NH+](C)C ZINC000638983715 375498007 /nfs/dbraw/zinc/49/80/07/375498007.db2.gz NIIVASKVUOLPOS-LLVKDONJSA-N 3 2 277.372 0.380 20 0 CCADLP C[C@H](C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21)[NH+]1CCN(C)CC1 ZINC000639023711 375528635 /nfs/dbraw/zinc/52/86/35/375528635.db2.gz LRTZFDDNRZRRJA-QLFBSQMISA-N 2 2 294.443 0.223 20 0 CCADLP CO[C@]1(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)CCOC1 ZINC000639071904 375559205 /nfs/dbraw/zinc/55/92/05/375559205.db2.gz QUDKQVVYNGLCFC-YPMHNXCESA-N 2 2 251.330 0.593 20 0 CCADLP CO[C@]1(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)CCOC1 ZINC000639139052 375598471 /nfs/dbraw/zinc/59/84/71/375598471.db2.gz JGORFMIOMBMJCO-HOTGVXAUSA-N 2 2 298.427 0.836 20 0 CCADLP CO[C@]1(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)CCOC1 ZINC000639139052 375598480 /nfs/dbraw/zinc/59/84/80/375598480.db2.gz JGORFMIOMBMJCO-HOTGVXAUSA-N 2 2 298.427 0.836 20 0 CCADLP CC(C)(O)C[NH+]1CCC(NCC[N@@H+]2CCCOCC2)CC1 ZINC000639175865 375621572 /nfs/dbraw/zinc/62/15/72/375621572.db2.gz QGWQBNQKUUPBBU-UHFFFAOYSA-N 2 2 299.459 0.534 20 0 CCADLP CC(C)(O)C[NH+]1CCC(NCC[N@H+]2CCCOCC2)CC1 ZINC000639175865 375621576 /nfs/dbraw/zinc/62/15/76/375621576.db2.gz QGWQBNQKUUPBBU-UHFFFAOYSA-N 2 2 299.459 0.534 20 0 CCADLP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1c[nH+]c(N)nc1N ZINC000639160162 375610227 /nfs/dbraw/zinc/61/02/27/375610227.db2.gz AWRRNDLYJNAKSP-CMPLNLGQSA-N 2 2 276.388 0.360 20 0 CCADLP CCS(=O)(=O)N1CC(C[NH2+]Cc2c[nH+]c(C)n2C)C1 ZINC000568783206 291623684 /nfs/dbraw/zinc/62/36/84/291623684.db2.gz PQLODRMNBUBPCM-UHFFFAOYSA-N 2 2 286.401 0.100 20 0 CCADLP CO[C@]1(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CCOC1 ZINC000639301554 375710732 /nfs/dbraw/zinc/71/07/32/375710732.db2.gz GZSHMNMFXACPDW-HOTGVXAUSA-N 2 2 298.427 0.979 20 0 CCADLP CO[C@]1(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CCOC1 ZINC000639301554 375710736 /nfs/dbraw/zinc/71/07/36/375710736.db2.gz GZSHMNMFXACPDW-HOTGVXAUSA-N 2 2 298.427 0.979 20 0 CCADLP Cc1ccc2[nH+]c(CN3CC[N@@H+](C)C[C@@H]3CO)cn2c1 ZINC000639333617 375734055 /nfs/dbraw/zinc/73/40/55/375734055.db2.gz KOGKMVNOHWLWEV-CQSZACIVSA-N 2 2 274.368 0.751 20 0 CCADLP Cc1ccc2[nH+]c(CN3CC[N@H+](C)C[C@@H]3CO)cn2c1 ZINC000639333617 375734061 /nfs/dbraw/zinc/73/40/61/375734061.db2.gz KOGKMVNOHWLWEV-CQSZACIVSA-N 2 2 274.368 0.751 20 0 CCADLP CCn1nncc1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639344325 375744725 /nfs/dbraw/zinc/74/47/25/375744725.db2.gz XIZCRADRIRFFDK-UHFFFAOYSA-N 2 2 281.404 0.623 20 0 CCADLP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000639355114 375754682 /nfs/dbraw/zinc/75/46/82/375754682.db2.gz PCJCZYXVAHHYQT-JHJVBQTASA-N 2 2 269.389 0.090 20 0 CCADLP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000639355114 375754685 /nfs/dbraw/zinc/75/46/85/375754685.db2.gz PCJCZYXVAHHYQT-JHJVBQTASA-N 2 2 269.389 0.090 20 0 CCADLP Cc1[nH+]cc(C[NH+]2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)n1C ZINC000639365479 375761848 /nfs/dbraw/zinc/76/18/48/375761848.db2.gz OZYJYHXRPQFYFP-KBPBESRZSA-N 2 2 276.340 0.213 20 0 CCADLP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000335312390 284542919 /nfs/dbraw/zinc/54/29/19/284542919.db2.gz VQKHJHBHEHDFCB-PWSUYJOCSA-N 2 2 273.327 0.586 20 0 CCADLP CCC(=O)N[C@H]1CCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000639473180 375793378 /nfs/dbraw/zinc/79/33/78/375793378.db2.gz QPLQXIMXTOQYSF-LBPRGKRZSA-N 2 2 264.373 0.953 20 0 CCADLP CCC(=O)N[C@H]1CCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000639473180 375793384 /nfs/dbraw/zinc/79/33/84/375793384.db2.gz QPLQXIMXTOQYSF-LBPRGKRZSA-N 2 2 264.373 0.953 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000639514399 375819087 /nfs/dbraw/zinc/81/90/87/375819087.db2.gz OEAHFHFDHOOQEW-SNVBAGLBSA-N 2 2 263.263 0.962 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000639514399 375819093 /nfs/dbraw/zinc/81/90/93/375819093.db2.gz OEAHFHFDHOOQEW-SNVBAGLBSA-N 2 2 263.263 0.962 20 0 CCADLP CC(C)OC[C@H](CO)[N@H+](C)CCc1c[nH+]cn1C ZINC000639612100 375859750 /nfs/dbraw/zinc/85/97/50/375859750.db2.gz HDNUQGBAWMJWNC-ZDUSSCGKSA-N 2 2 255.362 0.680 20 0 CCADLP CC(C)OC[C@H](CO)[N@@H+](C)CCc1c[nH+]cn1C ZINC000639612100 375859754 /nfs/dbraw/zinc/85/97/54/375859754.db2.gz HDNUQGBAWMJWNC-ZDUSSCGKSA-N 2 2 255.362 0.680 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH2+]Cc1c(C2CC2)cnn1C ZINC000656710228 412845416 /nfs/dbraw/zinc/84/54/16/412845416.db2.gz VFZTTYAJWVLIFN-CYBMUJFWSA-N 2 2 296.415 0.326 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH2+]Cc1c(C2CC2)cnn1C ZINC000656710228 412845419 /nfs/dbraw/zinc/84/54/19/412845419.db2.gz VFZTTYAJWVLIFN-CYBMUJFWSA-N 2 2 296.415 0.326 20 0 CCADLP CC(C)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639763401 375991415 /nfs/dbraw/zinc/99/14/15/375991415.db2.gz RKFCXVFZISJJPH-HIFRSBDPSA-N 2 2 285.432 0.536 20 0 CCADLP CC(C)CNC(=O)[C@@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639763401 375991421 /nfs/dbraw/zinc/99/14/21/375991421.db2.gz RKFCXVFZISJJPH-HIFRSBDPSA-N 2 2 285.432 0.536 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CC(=O)N2CCCCC2)C1 ZINC000639765117 375992129 /nfs/dbraw/zinc/99/21/29/375992129.db2.gz ITFCQSAFGGNICR-OAHLLOKOSA-N 2 2 283.416 0.387 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC000639765117 375992136 /nfs/dbraw/zinc/99/21/36/375992136.db2.gz ITFCQSAFGGNICR-OAHLLOKOSA-N 2 2 283.416 0.387 20 0 CCADLP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764459 375992435 /nfs/dbraw/zinc/99/24/35/375992435.db2.gz VQIOGCBDBXIZIP-GZBFAFLISA-N 2 2 285.432 0.678 20 0 CCADLP CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764459 375992442 /nfs/dbraw/zinc/99/24/42/375992442.db2.gz VQIOGCBDBXIZIP-GZBFAFLISA-N 2 2 285.432 0.678 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](Cc2ccnc(N)c2)C1 ZINC000639767162 375998393 /nfs/dbraw/zinc/99/83/93/375998393.db2.gz QCHVRSLUJHYQQM-CQSZACIVSA-N 2 2 264.373 0.383 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](Cc2ccnc(N)c2)C1 ZINC000639767162 375998398 /nfs/dbraw/zinc/99/83/98/375998398.db2.gz QCHVRSLUJHYQQM-CQSZACIVSA-N 2 2 264.373 0.383 20 0 CCADLP c1cn(C[C@@H]2C[N@H+](CCCn3cc[nH+]c3)CCO2)nn1 ZINC000639857724 376088261 /nfs/dbraw/zinc/08/82/61/376088261.db2.gz OSAJRNVMQMWGEM-ZDUSSCGKSA-N 2 2 276.344 0.266 20 0 CCADLP c1cn(C[C@@H]2C[N@@H+](CCCn3cc[nH+]c3)CCO2)nn1 ZINC000639857724 376088271 /nfs/dbraw/zinc/08/82/71/376088271.db2.gz OSAJRNVMQMWGEM-ZDUSSCGKSA-N 2 2 276.344 0.266 20 0 CCADLP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC([NH2+]CCOC)CC1 ZINC000574644254 335036712 /nfs/dbraw/zinc/03/67/12/335036712.db2.gz NPVYDJUGXIJSNW-QWHCGFSZSA-N 2 2 285.432 0.990 20 0 CCADLP COC1(CC[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)CCC1 ZINC000640051243 376215679 /nfs/dbraw/zinc/21/56/79/376215679.db2.gz MEGAETIQFWRACR-UHFFFAOYSA-N 2 2 283.416 0.651 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000640304471 376301630 /nfs/dbraw/zinc/30/16/30/376301630.db2.gz JLWKGENZRBNWDA-KWCYVHTRSA-N 2 2 296.415 0.228 20 0 CCADLP Cc1cccc2[nH+]c(Cn3cc([C@H]([NH3+])CO)nn3)cn21 ZINC000641030501 376686427 /nfs/dbraw/zinc/68/64/27/376686427.db2.gz XKJWBGUTAQCQRA-LLVKDONJSA-N 2 2 272.312 0.275 20 0 CCADLP c1cn(CCn2cc(CC[NH+]3CCOCC3)nn2)c[nH+]1 ZINC000641122832 376797837 /nfs/dbraw/zinc/79/78/37/376797837.db2.gz BFFXWGAUCAMHJC-UHFFFAOYSA-N 2 2 276.344 0.050 20 0 CCADLP CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641326658 376998017 /nfs/dbraw/zinc/99/80/17/376998017.db2.gz DJYTZSWOBIOHKD-ZDUSSCGKSA-N 2 2 298.412 0.381 20 0 CCADLP CN([C@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641326658 376998025 /nfs/dbraw/zinc/99/80/25/376998025.db2.gz DJYTZSWOBIOHKD-ZDUSSCGKSA-N 2 2 298.412 0.381 20 0 CCADLP C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)CCn1cc[nH+]c1 ZINC000641383564 377055440 /nfs/dbraw/zinc/05/54/40/377055440.db2.gz RRUVQIAVKYBJJT-LBPRGKRZSA-N 2 2 286.401 0.239 20 0 CCADLP COC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000086700698 284619443 /nfs/dbraw/zinc/61/94/43/284619443.db2.gz KMZKQPIGFRNSLO-LBPRGKRZSA-N 2 2 257.378 0.021 20 0 CCADLP OCCC[N@@H+]1CCC[C@H]1CNc1cc[nH+]cc1F ZINC000641615132 377319623 /nfs/dbraw/zinc/31/96/23/377319623.db2.gz FPPIFWXLNICWJP-NSHDSACASA-N 2 2 253.321 0.901 20 0 CCADLP OCCC[N@H+]1CCC[C@H]1CNc1cc[nH+]cc1F ZINC000641615132 377319627 /nfs/dbraw/zinc/31/96/27/377319627.db2.gz FPPIFWXLNICWJP-NSHDSACASA-N 2 2 253.321 0.901 20 0 CCADLP C[C@H](C[NH2+]Cc1ccncc1N)C[NH+]1CCOCC1 ZINC000641725091 377424790 /nfs/dbraw/zinc/42/47/90/377424790.db2.gz HBVJJVXQKUZEJD-GFCCVEGCSA-N 2 2 264.373 0.722 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000641741811 377432840 /nfs/dbraw/zinc/43/28/40/377432840.db2.gz IPKNUAHNNMHLBS-AWEZNQCLSA-N 2 2 278.356 0.671 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)NCc1[nH+]ccn1C ZINC000641773210 377455402 /nfs/dbraw/zinc/45/54/02/377455402.db2.gz WKEUDNJSDDPETE-LBPRGKRZSA-N 2 2 254.378 0.603 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000641802502 377473153 /nfs/dbraw/zinc/47/31/53/377473153.db2.gz LXZDBTWJTHLMGM-XQQFMLRXSA-N 3 2 282.432 0.254 20 0 CCADLP C[C@@H](C(=O)NC(C)(C)CCC[NH+](C)C)[NH+]1CCOCC1 ZINC000456169920 249034176 /nfs/dbraw/zinc/03/41/76/249034176.db2.gz NAZXUUQAFNTTQL-ZDUSSCGKSA-N 2 2 285.432 0.944 20 0 CCADLP C[N@@H+]1CCC[C@H](NC(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000642056305 377534269 /nfs/dbraw/zinc/53/42/69/377534269.db2.gz HHJHQLFMSHYONA-NSHDSACASA-N 2 2 263.345 0.503 20 0 CCADLP C[N@H+]1CCC[C@H](NC(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000642056305 377534277 /nfs/dbraw/zinc/53/42/77/377534277.db2.gz HHJHQLFMSHYONA-NSHDSACASA-N 2 2 263.345 0.503 20 0 CCADLP Cc1ncc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)s1 ZINC000514949502 249114948 /nfs/dbraw/zinc/11/49/48/249114948.db2.gz GOHBXCRDBQRDRB-KOLCDFICSA-N 2 2 266.370 0.195 20 0 CCADLP Cc1ncc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)s1 ZINC000514949502 249114949 /nfs/dbraw/zinc/11/49/49/249114949.db2.gz GOHBXCRDBQRDRB-KOLCDFICSA-N 2 2 266.370 0.195 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@]1(C)C(N)=O ZINC000514870496 249109929 /nfs/dbraw/zinc/10/99/29/249109929.db2.gz LHEJDIWCIYCJEI-YPMHNXCESA-N 2 2 257.378 0.029 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@]1(C)C(N)=O ZINC000514870496 249109932 /nfs/dbraw/zinc/10/99/32/249109932.db2.gz LHEJDIWCIYCJEI-YPMHNXCESA-N 2 2 257.378 0.029 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000514870496 249109935 /nfs/dbraw/zinc/10/99/35/249109935.db2.gz LHEJDIWCIYCJEI-YPMHNXCESA-N 2 2 257.378 0.029 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000514870496 249109937 /nfs/dbraw/zinc/10/99/37/249109937.db2.gz LHEJDIWCIYCJEI-YPMHNXCESA-N 2 2 257.378 0.029 20 0 CCADLP CC1CC[NH+](C[C@H](O)C[NH2+]C[C@H](O)C(F)(F)F)CC1 ZINC000516182161 249154540 /nfs/dbraw/zinc/15/45/40/249154540.db2.gz LDQVHOMTWCVFQE-MNOVXSKESA-N 2 2 284.322 0.592 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)C[NH+]2CC(C)(C)C2)c1 ZINC000516312901 249160304 /nfs/dbraw/zinc/16/03/04/249160304.db2.gz KMDOUWKJBOFQBN-UHFFFAOYSA-N 2 2 250.346 0.421 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000515490842 249136530 /nfs/dbraw/zinc/13/65/30/249136530.db2.gz UQHQERHYCNKIJE-HUUCEWRRSA-N 3 2 269.433 0.621 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000515490842 249136532 /nfs/dbraw/zinc/13/65/32/249136532.db2.gz UQHQERHYCNKIJE-HUUCEWRRSA-N 3 2 269.433 0.621 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000515490842 249136534 /nfs/dbraw/zinc/13/65/34/249136534.db2.gz UQHQERHYCNKIJE-HUUCEWRRSA-N 3 2 269.433 0.621 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000515490842 249136537 /nfs/dbraw/zinc/13/65/37/249136537.db2.gz UQHQERHYCNKIJE-HUUCEWRRSA-N 3 2 269.433 0.621 20 0 CCADLP O=C1NCCC[C@@H]1[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000515796139 249144366 /nfs/dbraw/zinc/14/43/66/249144366.db2.gz XXBLSUSSSKQOJZ-OLZOCXBDSA-N 2 2 261.325 0.813 20 0 CCADLP O=C1NCCC[C@@H]1[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000515796139 249144369 /nfs/dbraw/zinc/14/43/69/249144369.db2.gz XXBLSUSSSKQOJZ-OLZOCXBDSA-N 2 2 261.325 0.813 20 0 CCADLP CCn1cc[nH+]c1CN(C(=O)C[NH3+])[C@@H]1CC12CC[NH2+]CC2 ZINC000515847822 249145881 /nfs/dbraw/zinc/14/58/81/249145881.db2.gz MRDRVDKVGPPILY-GFCCVEGCSA-N 3 2 291.399 0.332 20 0 CCADLP Cc1ccc(F)c(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000516785837 249180450 /nfs/dbraw/zinc/18/04/50/249180450.db2.gz XQUUGZRTONWASQ-TZMCWYRMSA-N 2 2 277.343 0.878 20 0 CCADLP Cc1ccc(F)c(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000516785837 249180452 /nfs/dbraw/zinc/18/04/52/249180452.db2.gz XQUUGZRTONWASQ-TZMCWYRMSA-N 2 2 277.343 0.878 20 0 CCADLP CC(C)OC(=O)CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000516946885 249191665 /nfs/dbraw/zinc/19/16/65/249191665.db2.gz ORADZQCLUNZVSG-UHFFFAOYSA-N 2 2 266.345 0.873 20 0 CCADLP O=C(NCCCCn1cc[nH+]c1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000517046194 249201817 /nfs/dbraw/zinc/20/18/17/249201817.db2.gz YJYUBWFOAVGGJU-AWEZNQCLSA-N 2 2 291.399 0.169 20 0 CCADLP O=C(NCCCCn1cc[nH+]c1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000517046194 249201820 /nfs/dbraw/zinc/20/18/20/249201820.db2.gz YJYUBWFOAVGGJU-AWEZNQCLSA-N 2 2 291.399 0.169 20 0 CCADLP C[NH+](C)[C@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)C[C@@H]1O ZINC000517438618 249219165 /nfs/dbraw/zinc/21/91/65/249219165.db2.gz HEGBKAMPTNFYEG-RYUDHWBXSA-N 2 2 274.324 0.081 20 0 CCADLP COC1(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC[NH2+]CC1 ZINC000430688082 284664694 /nfs/dbraw/zinc/66/46/94/284664694.db2.gz UQMCVMRYTPKCJT-GFCCVEGCSA-N 2 2 292.383 0.884 20 0 CCADLP C[N@@H+]1CCN(c2ccnc(C(C)(C)C)n2)[C@@H](C[NH3+])C1 ZINC000643016698 377689639 /nfs/dbraw/zinc/68/96/39/377689639.db2.gz HBEIVCPVSYZOBU-NSHDSACASA-N 2 2 263.389 0.853 20 0 CCADLP C[N@H+]1CCN(c2ccnc(C(C)(C)C)n2)[C@@H](C[NH3+])C1 ZINC000643016698 377689645 /nfs/dbraw/zinc/68/96/45/377689645.db2.gz HBEIVCPVSYZOBU-NSHDSACASA-N 2 2 263.389 0.853 20 0 CCADLP CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000574683867 335039017 /nfs/dbraw/zinc/03/90/17/335039017.db2.gz CNQUCIRVSODHLV-WPRPVWTQSA-N 2 2 256.375 0.633 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CCCC[NH+](C)C ZINC000570034854 291728210 /nfs/dbraw/zinc/72/82/10/291728210.db2.gz RIQYSMFMPYBPGG-AWEZNQCLSA-N 2 2 285.432 0.897 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000278955102 194228055 /nfs/dbraw/zinc/22/80/55/194228055.db2.gz WCDJTNPIZHNZSH-NSHDSACASA-N 2 2 250.346 0.813 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CCN2CCO[C@@H](C)C2)n1C ZINC000570106908 291734538 /nfs/dbraw/zinc/73/45/38/291734538.db2.gz IMXCIGJMAQWFRT-NSHDSACASA-N 2 2 252.362 0.539 20 0 CCADLP CC(C)(C)n1nnc(C[NH2+]CCCn2cc[nH+]c2)n1 ZINC000657287372 412953862 /nfs/dbraw/zinc/95/38/62/412953862.db2.gz YZQBCWYHPHZUAT-UHFFFAOYSA-N 2 2 263.349 0.805 20 0 CCADLP CC(C)[C@@H]1C(=O)NCC[N@H+]1CCc1c[nH+]cn1C ZINC000289494020 197375438 /nfs/dbraw/zinc/37/54/38/197375438.db2.gz CSFBWNIDVIFIDX-GFCCVEGCSA-N 2 2 250.346 0.419 20 0 CCADLP CC(C)[C@@H]1C(=O)NCC[N@@H+]1CCc1c[nH+]cn1C ZINC000289494020 197375439 /nfs/dbraw/zinc/37/54/39/197375439.db2.gz CSFBWNIDVIFIDX-GFCCVEGCSA-N 2 2 250.346 0.419 20 0 CCADLP O=C1O[C@]2(CN1C[NH+]1CCSCC1)C[NH+]1CCC2CC1 ZINC000496508796 284971893 /nfs/dbraw/zinc/97/18/93/284971893.db2.gz SUCGXNVGUJFAIA-AWEZNQCLSA-N 2 2 297.424 0.909 20 0 CCADLP O=C1C[N@H+](C[C@@H]2CCC[NH2+]C2)[C@H]2CCCC[C@H]2N1 ZINC000346843519 296334278 /nfs/dbraw/zinc/33/42/78/296334278.db2.gz JOJLVSXRTPPCFH-UPJWGTAASA-N 2 2 251.374 0.729 20 0 CCADLP O=C1C[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@H]2CCCC[C@H]2N1 ZINC000346843519 296334279 /nfs/dbraw/zinc/33/42/79/296334279.db2.gz JOJLVSXRTPPCFH-UPJWGTAASA-N 2 2 251.374 0.729 20 0 CCADLP CC[NH2+]CCCNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000574784050 335047247 /nfs/dbraw/zinc/04/72/47/335047247.db2.gz MPOYPELJUZGMMK-GFCCVEGCSA-N 2 2 272.393 0.006 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000449603983 532968023 /nfs/dbraw/zinc/96/80/23/532968023.db2.gz SAUFZTSAEYKLSO-CHWSQXEVSA-N 2 2 291.399 0.056 20 0 CCADLP CC[NH2+]CCCNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000571506206 291818481 /nfs/dbraw/zinc/81/84/81/291818481.db2.gz LOMPBZKFZYONSU-UHFFFAOYSA-N 2 2 279.388 0.946 20 0 CCADLP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)N(C)C)CC1 ZINC000357844492 285013477 /nfs/dbraw/zinc/01/34/77/285013477.db2.gz FOJRPHSFQPAKAJ-LLVKDONJSA-N 2 2 257.378 0.164 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000246929598 285037229 /nfs/dbraw/zinc/03/72/29/285037229.db2.gz SZOJDODQXXCYTC-FRRDWIJNSA-N 2 2 298.431 0.883 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000246929598 285037231 /nfs/dbraw/zinc/03/72/31/285037231.db2.gz SZOJDODQXXCYTC-FRRDWIJNSA-N 2 2 298.431 0.883 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000246929598 285037234 /nfs/dbraw/zinc/03/72/34/285037234.db2.gz SZOJDODQXXCYTC-FRRDWIJNSA-N 2 2 298.431 0.883 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000246929598 285037236 /nfs/dbraw/zinc/03/72/36/285037236.db2.gz SZOJDODQXXCYTC-FRRDWIJNSA-N 2 2 298.431 0.883 20 0 CCADLP COCC[C@](C)(O)C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000248214973 285061663 /nfs/dbraw/zinc/06/16/63/285061663.db2.gz ZLYGZGGQEPTFHK-OBJOEFQTSA-N 2 2 256.390 0.989 20 0 CCADLP COCC[C@](C)(O)C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000248214973 285061665 /nfs/dbraw/zinc/06/16/65/285061665.db2.gz ZLYGZGGQEPTFHK-OBJOEFQTSA-N 2 2 256.390 0.989 20 0 CCADLP CCC(=O)N1CC[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657399678 412980302 /nfs/dbraw/zinc/98/03/02/412980302.db2.gz BRBHBMJSIDXJIO-LLVKDONJSA-N 2 2 262.357 0.930 20 0 CCADLP C[NH+](C)C[C@](C)(O)CNCc1c[nH+]c2n1CCC2 ZINC000657414874 412983983 /nfs/dbraw/zinc/98/39/83/412983983.db2.gz FGBSAVVDAICOBD-CYBMUJFWSA-N 2 2 252.362 0.232 20 0 CCADLP COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000574809194 335048946 /nfs/dbraw/zinc/04/89/46/335048946.db2.gz QENWPZXVUVSGFB-UPJWGTAASA-N 2 2 297.399 0.067 20 0 CCADLP COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000574809194 335048948 /nfs/dbraw/zinc/04/89/48/335048948.db2.gz QENWPZXVUVSGFB-UPJWGTAASA-N 2 2 297.399 0.067 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccnn2CC2CC2)C1 ZINC000657438174 412986985 /nfs/dbraw/zinc/98/69/85/412986985.db2.gz ZUAGRFOHOBRDSK-AWEZNQCLSA-N 2 2 264.373 0.449 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccnn2CC2CC2)C1 ZINC000657438174 412986992 /nfs/dbraw/zinc/98/69/92/412986992.db2.gz ZUAGRFOHOBRDSK-AWEZNQCLSA-N 2 2 264.373 0.449 20 0 CCADLP O=c1nc([C@@H]2CCC[N@H+](CCCn3cc[nH+]c3)C2)[nH][nH]1 ZINC000289405175 197331137 /nfs/dbraw/zinc/33/11/37/197331137.db2.gz LJFLSRAEWPBERT-LLVKDONJSA-N 2 2 276.344 0.564 20 0 CCADLP O=c1nc([C@@H]2CCC[N@@H+](CCCn3cc[nH+]c3)C2)[nH][nH]1 ZINC000289405175 197331138 /nfs/dbraw/zinc/33/11/38/197331138.db2.gz LJFLSRAEWPBERT-LLVKDONJSA-N 2 2 276.344 0.564 20 0 CCADLP CCOCC[N@@H+]1CCN(CC[NH+]2CCOC[C@H]2C)C[C@@H]1C ZINC000249430901 285116406 /nfs/dbraw/zinc/11/64/06/285116406.db2.gz DWLZJHUYHXWZKU-JKSUJKDBSA-N 2 2 299.459 0.750 20 0 CCADLP CCOCC[N@H+]1CCN(CC[NH+]2CCOC[C@H]2C)C[C@@H]1C ZINC000249430901 285116408 /nfs/dbraw/zinc/11/64/08/285116408.db2.gz DWLZJHUYHXWZKU-JKSUJKDBSA-N 2 2 299.459 0.750 20 0 CCADLP CCOCC[NH+]1CCN(CC[N@H+]2CCOC[C@H]2C)C[C@@H]1C ZINC000249430901 285116410 /nfs/dbraw/zinc/11/64/10/285116410.db2.gz DWLZJHUYHXWZKU-JKSUJKDBSA-N 2 2 299.459 0.750 20 0 CCADLP COC[C@H](C)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000249897860 285141257 /nfs/dbraw/zinc/14/12/57/285141257.db2.gz ROPQZPIJCLKVDZ-KGLIPLIRSA-N 2 2 256.390 0.923 20 0 CCADLP COC[C@H](C)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000249897860 285141259 /nfs/dbraw/zinc/14/12/59/285141259.db2.gz ROPQZPIJCLKVDZ-KGLIPLIRSA-N 2 2 256.390 0.923 20 0 CCADLP OC[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)[C@@H]1CCCOC1 ZINC000657497108 413009834 /nfs/dbraw/zinc/00/98/34/413009834.db2.gz ULCFMGSWTQECLH-YPMHNXCESA-N 2 2 265.357 0.706 20 0 CCADLP Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[NH+](C)C)c(C)[nH+]1 ZINC000288358371 197058234 /nfs/dbraw/zinc/05/82/34/197058234.db2.gz ZOLRANVJPCHZPA-JTQLQIEISA-N 2 2 278.356 0.703 20 0 CCADLP [NH3+][C@@H](C(=O)NCCC[C@H]1CCC[NH2+]1)c1cscn1 ZINC000521861890 285290833 /nfs/dbraw/zinc/29/08/33/285290833.db2.gz YHVXAEZBEWMHRB-MWLCHTKSSA-N 2 2 268.386 0.791 20 0 CCADLP C[C@H]([NH2+]CCC[NH+](C)C)c1cccc(S(N)(=O)=O)c1 ZINC000037213620 388844851 /nfs/dbraw/zinc/84/48/51/388844851.db2.gz LGJSJNGVVYWPDH-NSHDSACASA-N 2 2 285.413 0.936 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000186575351 388842042 /nfs/dbraw/zinc/84/20/42/388842042.db2.gz RNKSTEDYEDULLE-UHFFFAOYSA-N 2 2 297.365 0.917 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000186575351 388842045 /nfs/dbraw/zinc/84/20/45/388842045.db2.gz RNKSTEDYEDULLE-UHFFFAOYSA-N 2 2 297.365 0.917 20 0 CCADLP NC(=O)N1CCC([NH2+]CC[NH+]2CCCCCC2)CC1 ZINC000040767900 388854414 /nfs/dbraw/zinc/85/44/14/388854414.db2.gz VYFGMAHKGFKKIO-UHFFFAOYSA-N 2 2 268.405 0.995 20 0 CCADLP CC(C)(C)[C@H]([NH3+])C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000040805318 388855568 /nfs/dbraw/zinc/85/55/68/388855568.db2.gz SXCYWFHAXAIWLZ-LLVKDONJSA-N 2 2 271.405 0.587 20 0 CCADLP CC(C)(CNC(=O)c1ccc(C[NH3+])cc1)[NH+]1CCOCC1 ZINC000040805165 388855682 /nfs/dbraw/zinc/85/56/82/388855682.db2.gz OHVCSNWOKVXENY-UHFFFAOYSA-N 2 2 291.395 0.986 20 0 CCADLP O=C(NCCn1cc[nH+]c1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000041120048 388861437 /nfs/dbraw/zinc/86/14/37/388861437.db2.gz FKRQRXYVCIXZMZ-CQSZACIVSA-N 2 2 270.336 0.714 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000289832323 388896598 /nfs/dbraw/zinc/89/65/98/388896598.db2.gz DQUXPYPDZYMZKG-RYUDHWBXSA-N 2 2 250.346 0.633 20 0 CCADLP COC[C@@H](C)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000187369374 388878532 /nfs/dbraw/zinc/87/85/32/388878532.db2.gz ROPQZPIJCLKVDZ-UONOGXRCSA-N 2 2 256.390 0.923 20 0 CCADLP COC[C@@H](C)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000187369374 388878535 /nfs/dbraw/zinc/87/85/35/388878535.db2.gz ROPQZPIJCLKVDZ-UONOGXRCSA-N 2 2 256.390 0.923 20 0 CCADLP C[C@@H](CNc1nc2c(cnn2C)c(N)[nH+]1)C[NH+](C)C ZINC000291812693 388938455 /nfs/dbraw/zinc/93/84/55/388938455.db2.gz KFSWQMXSONMRGT-QMMMGPOBSA-N 2 2 263.349 0.555 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976546 388940833 /nfs/dbraw/zinc/94/08/33/388940833.db2.gz RWMSTZLOUDUBLZ-OLZOCXBDSA-N 2 2 269.389 0.150 20 0 CCADLP C[C@H]1CN(CCn2cc[nH+]c2)CC[N@@H+]1CC(C)(C)O ZINC000189928483 388978264 /nfs/dbraw/zinc/97/82/64/388978264.db2.gz UDCRMPFTGLICCA-ZDUSSCGKSA-N 2 2 266.389 0.660 20 0 CCADLP C[C@H]1CN(CCn2cc[nH+]c2)CC[N@H+]1CC(C)(C)O ZINC000189928483 388978268 /nfs/dbraw/zinc/97/82/68/388978268.db2.gz UDCRMPFTGLICCA-ZDUSSCGKSA-N 2 2 266.389 0.660 20 0 CCADLP CC[C@H]1CN(CC[N@@H+]2CCOC[C@@H]2C)CC[NH+]1C[C@@H](C)O ZINC000191483721 389011895 /nfs/dbraw/zinc/01/18/95/389011895.db2.gz VUXKHYYBLSCDEM-XHSDSOJGSA-N 2 2 299.459 0.484 20 0 CCADLP CC[C@H]1CN(CC[N@H+]2CCOC[C@@H]2C)CC[NH+]1C[C@@H](C)O ZINC000191483721 389011899 /nfs/dbraw/zinc/01/18/99/389011899.db2.gz VUXKHYYBLSCDEM-XHSDSOJGSA-N 2 2 299.459 0.484 20 0 CCADLP CC[C@H]1CN(CC[NH+]2CCOC[C@@H]2C)CC[N@@H+]1C[C@@H](C)O ZINC000191483721 389011901 /nfs/dbraw/zinc/01/19/01/389011901.db2.gz VUXKHYYBLSCDEM-XHSDSOJGSA-N 2 2 299.459 0.484 20 0 CCADLP CC[C@H]1CN(CC[NH+]2CCOC[C@@H]2C)CC[N@H+]1C[C@@H](C)O ZINC000191483721 389011902 /nfs/dbraw/zinc/01/19/02/389011902.db2.gz VUXKHYYBLSCDEM-XHSDSOJGSA-N 2 2 299.459 0.484 20 0 CCADLP CC[NH+](CC)CCCN1CC[NH+](CC(=O)NC(C)C)CC1 ZINC000191774049 389017105 /nfs/dbraw/zinc/01/71/05/389017105.db2.gz ICAITZSOSZDWEF-UHFFFAOYSA-N 2 2 298.475 0.861 20 0 CCADLP C[C@@H]1COCC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000354332662 389020914 /nfs/dbraw/zinc/02/09/14/389020914.db2.gz IWIGLZKQRJPDOE-AGIUHOORSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]1COCC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000354332662 389020920 /nfs/dbraw/zinc/02/09/20/389020920.db2.gz IWIGLZKQRJPDOE-AGIUHOORSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCN(C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000337171748 389050962 /nfs/dbraw/zinc/05/09/62/389050962.db2.gz GBBKDNYMNUTLBM-DZGCQCFKSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@H]1COCC[N@H+]1CCN(C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000337171748 389050963 /nfs/dbraw/zinc/05/09/63/389050963.db2.gz GBBKDNYMNUTLBM-DZGCQCFKSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@H]1COCC[NH+]1CCN(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000337171748 389050967 /nfs/dbraw/zinc/05/09/67/389050967.db2.gz GBBKDNYMNUTLBM-DZGCQCFKSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@H]1COCC[NH+]1CCN(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000337171748 389050969 /nfs/dbraw/zinc/05/09/69/389050969.db2.gz GBBKDNYMNUTLBM-DZGCQCFKSA-N 2 2 267.417 0.876 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)NCCC[NH+]1CCOCC1 ZINC000192894602 389057360 /nfs/dbraw/zinc/05/73/60/389057360.db2.gz MUVQRXSPIHKOEX-UHFFFAOYSA-N 2 2 295.387 0.295 20 0 CCADLP Cc1nc(N2CC[NH+](CCCO)CC2)c(C)c(C)[nH+]1 ZINC000301699637 389057432 /nfs/dbraw/zinc/05/74/32/389057432.db2.gz RQLHTSGBQUXHHB-UHFFFAOYSA-N 2 2 264.373 0.906 20 0 CCADLP 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C[C@@H]1C[N@H+](CCC(=O)N(C)C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000343926327 389275607 /nfs/dbraw/zinc/27/56/07/389275607.db2.gz PXBUALBQZXLWRZ-CABCVRRESA-N 2 2 296.459 0.423 20 0 CCADLP C[C@@H]1C[N@@H+](CCC(=O)N(C)C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000343926327 389275610 /nfs/dbraw/zinc/27/56/10/389275610.db2.gz PXBUALBQZXLWRZ-CABCVRRESA-N 2 2 296.459 0.423 20 0 CCADLP CNC(=O)C[C@H](C)[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000344477832 389281267 /nfs/dbraw/zinc/28/12/67/389281267.db2.gz PONKIIRLNBQHGZ-AVGNSLFASA-N 2 2 271.405 0.600 20 0 CCADLP Cn1c[nH+]cc1CNCC1([NH+](C)C)CCOCC1 ZINC000344455925 389281698 /nfs/dbraw/zinc/28/16/98/389281698.db2.gz ZABJCQPVZDKXLF-UHFFFAOYSA-N 2 2 252.362 0.621 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000331013658 389282983 /nfs/dbraw/zinc/28/29/83/389282983.db2.gz WYEBKLWKDLWGOF-UHFFFAOYSA-N 2 2 250.346 0.895 20 0 CCADLP COC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000262272766 389284657 /nfs/dbraw/zinc/28/46/57/389284657.db2.gz KQYCNDZZITWFDG-NXEZZACHSA-N 2 2 252.318 0.437 20 0 CCADLP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262982926 389297318 /nfs/dbraw/zinc/29/73/18/389297318.db2.gz MVMLUJAVUDIQAG-WDEREUQCSA-N 2 2 275.343 0.974 20 0 CCADLP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262982926 389297319 /nfs/dbraw/zinc/29/73/19/389297319.db2.gz MVMLUJAVUDIQAG-WDEREUQCSA-N 2 2 275.343 0.974 20 0 CCADLP C[C@@H](CC(=O)N(C)C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000367998525 389366903 /nfs/dbraw/zinc/36/69/03/389366903.db2.gz UFGGYTMXRFPCIK-UWVGGRQHSA-N 2 2 250.346 0.723 20 0 CCADLP C[C@@H](CC(=O)N(C)C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000367998525 389366906 /nfs/dbraw/zinc/36/69/06/389366906.db2.gz UFGGYTMXRFPCIK-UWVGGRQHSA-N 2 2 250.346 0.723 20 0 CCADLP OC1(CC[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CCC1 ZINC000411115943 389416384 /nfs/dbraw/zinc/41/63/84/389416384.db2.gz KNBVCRDJHWJKTN-AWEZNQCLSA-N 2 2 268.401 0.946 20 0 CCADLP OC1(CC[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CCC1 ZINC000411115943 389416385 /nfs/dbraw/zinc/41/63/85/389416385.db2.gz KNBVCRDJHWJKTN-AWEZNQCLSA-N 2 2 268.401 0.946 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000333524316 389417799 /nfs/dbraw/zinc/41/77/99/389417799.db2.gz HALAYIJWXUUXSM-MGPQQGTHSA-N 2 2 298.431 0.381 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000333524316 389417801 /nfs/dbraw/zinc/41/78/01/389417801.db2.gz HALAYIJWXUUXSM-MGPQQGTHSA-N 2 2 298.431 0.381 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000161932976 389411201 /nfs/dbraw/zinc/41/12/01/389411201.db2.gz LLCZXZMQWUKMCF-RYUDHWBXSA-N 2 2 275.418 0.094 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000161932976 389411204 /nfs/dbraw/zinc/41/12/04/389411204.db2.gz LLCZXZMQWUKMCF-RYUDHWBXSA-N 2 2 275.418 0.094 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000161932976 389411207 /nfs/dbraw/zinc/41/12/07/389411207.db2.gz LLCZXZMQWUKMCF-RYUDHWBXSA-N 2 2 275.418 0.094 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000161932976 389411208 /nfs/dbraw/zinc/41/12/08/389411208.db2.gz LLCZXZMQWUKMCF-RYUDHWBXSA-N 2 2 275.418 0.094 20 0 CCADLP CCCNC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158609589 389347050 /nfs/dbraw/zinc/34/70/50/389347050.db2.gz GIDODLZQVMZDDO-OLZOCXBDSA-N 2 2 253.390 0.929 20 0 CCADLP CCCNC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158609589 389347053 /nfs/dbraw/zinc/34/70/53/389347053.db2.gz GIDODLZQVMZDDO-OLZOCXBDSA-N 2 2 253.390 0.929 20 0 CCADLP CCCNC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158609589 389347057 /nfs/dbraw/zinc/34/70/57/389347057.db2.gz GIDODLZQVMZDDO-OLZOCXBDSA-N 2 2 253.390 0.929 20 0 CCADLP CCCNC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158609589 389347059 /nfs/dbraw/zinc/34/70/59/389347059.db2.gz GIDODLZQVMZDDO-OLZOCXBDSA-N 2 2 253.390 0.929 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000264715400 389349455 /nfs/dbraw/zinc/34/94/55/389349455.db2.gz FLTWWPMAYSAUNH-UHFFFAOYSA-N 2 2 280.372 0.454 20 0 CCADLP Cc1nnc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC000162190149 389415537 /nfs/dbraw/zinc/41/55/37/389415537.db2.gz VIZHIRSTEFYYBP-UHFFFAOYSA-N 2 2 281.404 0.836 20 0 CCADLP Cc1nnc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC000162190149 389415541 /nfs/dbraw/zinc/41/55/41/389415541.db2.gz VIZHIRSTEFYYBP-UHFFFAOYSA-N 2 2 281.404 0.836 20 0 CCADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1cnnn1C ZINC000347833809 389359558 /nfs/dbraw/zinc/35/95/58/389359558.db2.gz OTXQWGUDJDBWBJ-NSHDSACASA-N 2 2 253.350 0.016 20 0 CCADLP CSCC[C@@H]([NH3+])C(=O)NCCNc1cccc[nH+]1 ZINC000272270248 389465774 /nfs/dbraw/zinc/46/57/74/389465774.db2.gz BECVFKBZEYKMTO-SNVBAGLBSA-N 2 2 268.386 0.690 20 0 CCADLP C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422771339 389471104 /nfs/dbraw/zinc/47/11/04/389471104.db2.gz XYYRKUMZKBOJLN-JSGCOSHPSA-N 2 2 297.424 0.695 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC[C@@H](C)[NH3+] ZINC000422792520 389477346 /nfs/dbraw/zinc/47/73/46/389477346.db2.gz ZIYMLCASXCQKDW-NEPJUHHUSA-N 2 2 257.378 0.341 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC[C@@H](C)[NH3+] ZINC000422792520 389477350 /nfs/dbraw/zinc/47/73/50/389477350.db2.gz ZIYMLCASXCQKDW-NEPJUHHUSA-N 2 2 257.378 0.341 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000422847457 389491275 /nfs/dbraw/zinc/49/12/75/389491275.db2.gz IHKDUCWOGNUZJQ-QWHCGFSZSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000422847457 389491281 /nfs/dbraw/zinc/49/12/81/389491281.db2.gz IHKDUCWOGNUZJQ-QWHCGFSZSA-N 2 2 298.431 0.029 20 0 CCADLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371295196 389429973 /nfs/dbraw/zinc/42/99/73/389429973.db2.gz PLUWHPQIDDIYAE-JHJVBQTASA-N 2 2 269.389 0.258 20 0 CCADLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371295196 389429978 /nfs/dbraw/zinc/42/99/78/389429978.db2.gz PLUWHPQIDDIYAE-JHJVBQTASA-N 2 2 269.389 0.258 20 0 CCADLP CN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371295198 389430107 /nfs/dbraw/zinc/43/01/07/389430107.db2.gz PLUWHPQIDDIYAE-YNEHKIRRSA-N 2 2 269.389 0.258 20 0 CCADLP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371295198 389430110 /nfs/dbraw/zinc/43/01/10/389430110.db2.gz PLUWHPQIDDIYAE-YNEHKIRRSA-N 2 2 269.389 0.258 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000163990283 389431238 /nfs/dbraw/zinc/43/12/38/389431238.db2.gz RNVXTLIPUDZPCM-VXGBXAGGSA-N 2 2 274.430 0.884 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000163990283 389431242 /nfs/dbraw/zinc/43/12/42/389431242.db2.gz RNVXTLIPUDZPCM-VXGBXAGGSA-N 2 2 274.430 0.884 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000270918105 389436784 /nfs/dbraw/zinc/43/67/84/389436784.db2.gz URXFAOUXRFXYSB-STQMWFEESA-N 2 2 262.357 0.935 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000270918105 389436789 /nfs/dbraw/zinc/43/67/89/389436789.db2.gz URXFAOUXRFXYSB-STQMWFEESA-N 2 2 262.357 0.935 20 0 CCADLP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CCC[C@@H]3[NH3+])ccn2)CC1 ZINC000333785057 389444179 /nfs/dbraw/zinc/44/41/79/389444179.db2.gz FFJSKDUVKCMMJZ-GJZGRUSLSA-N 3 2 289.427 0.803 20 0 CCADLP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000349877299 389450365 /nfs/dbraw/zinc/45/03/65/389450365.db2.gz NEDZSDNZGSUPGD-KGLIPLIRSA-N 2 2 299.463 0.262 20 0 CCADLP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000349877299 389450368 /nfs/dbraw/zinc/45/03/68/389450368.db2.gz NEDZSDNZGSUPGD-KGLIPLIRSA-N 2 2 299.463 0.262 20 0 CCADLP CS[C@@H]1CN(CCn2cc[nH+]c2)C[C@@H]1[NH+](C)C ZINC000272019770 389457127 /nfs/dbraw/zinc/45/71/27/389457127.db2.gz LEVYETIQBDFLQO-NWDGAFQWSA-N 2 2 254.403 0.861 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCN1CCOC[C@@H]1C ZINC000422712230 389457696 /nfs/dbraw/zinc/45/76/96/389457696.db2.gz IAUOELWOXWDNPU-RDBSUJKOSA-N 2 2 271.405 0.064 20 0 CCADLP NC(=O)N[C@@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000272033552 389459611 /nfs/dbraw/zinc/45/96/11/389459611.db2.gz ZDCZSRVTJPXMJI-SNVBAGLBSA-N 2 2 259.313 0.577 20 0 CCADLP NC(=O)N[C@@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000272033552 389459613 /nfs/dbraw/zinc/45/96/13/389459613.db2.gz ZDCZSRVTJPXMJI-SNVBAGLBSA-N 2 2 259.313 0.577 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)[C@H]1CCC[NH2+]1 ZINC000422918354 389505995 /nfs/dbraw/zinc/50/59/95/389505995.db2.gz HCTOJCCKQSKMFW-VEGXAWMVSA-N 2 2 251.374 0.726 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000422982162 389515972 /nfs/dbraw/zinc/51/59/72/389515972.db2.gz VTEYSMTYODFIIG-GJZGRUSLSA-N 3 2 268.449 0.602 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000422982162 389515976 /nfs/dbraw/zinc/51/59/76/389515976.db2.gz VTEYSMTYODFIIG-GJZGRUSLSA-N 3 2 268.449 0.602 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000422986567 389517150 /nfs/dbraw/zinc/51/71/50/389517150.db2.gz CTJUTIYJXQMQEW-BVUBDWEXSA-N 3 2 281.444 0.952 20 0 CCADLP CCc1nn(C)c(OC)c1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422991206 389518190 /nfs/dbraw/zinc/51/81/90/389518190.db2.gz ORXAZNUCQZLGRW-JQWIXIFHSA-N 2 2 252.362 0.961 20 0 CCADLP COC(=O)[C@@H]1CN(c2cc[nH+]c(N(C)C)n2)CC[N@H+](C)C1 ZINC000413496134 389521779 /nfs/dbraw/zinc/52/17/79/389521779.db2.gz KBTDGNHSAFUCHH-NSHDSACASA-N 2 2 293.371 0.084 20 0 CCADLP COC(=O)[C@@H]1CN(c2cc[nH+]c(N(C)C)n2)CC[N@@H+](C)C1 ZINC000413496134 389521781 /nfs/dbraw/zinc/52/17/81/389521781.db2.gz KBTDGNHSAFUCHH-NSHDSACASA-N 2 2 293.371 0.084 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000423016111 389522436 /nfs/dbraw/zinc/52/24/36/389522436.db2.gz SINBWYGEOGLOPY-OPRDCNLKSA-N 2 2 270.295 0.656 20 0 CCADLP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])ccn1 ZINC000423020389 389522520 /nfs/dbraw/zinc/52/25/20/389522520.db2.gz BFILITQKODYASV-KBPBESRZSA-N 3 2 278.400 0.991 20 0 CCADLP COC(=O)[C@@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[N@H+](C)C1 ZINC000413499620 389523292 /nfs/dbraw/zinc/52/32/92/389523292.db2.gz NNMVMPXJXOIDPK-JTQLQIEISA-N 2 2 289.339 0.499 20 0 CCADLP COC(=O)[C@@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[N@@H+](C)C1 ZINC000413499620 389523295 /nfs/dbraw/zinc/52/32/95/389523295.db2.gz NNMVMPXJXOIDPK-JTQLQIEISA-N 2 2 289.339 0.499 20 0 CCADLP C[C@H](CNC(=O)C=Cc1c[nH]c[nH+]1)C[NH+]1CCOCC1 ZINC000276674393 389526498 /nfs/dbraw/zinc/52/64/98/389526498.db2.gz ZPEJTNDGGWPXMW-QAVQXKDTSA-N 2 2 278.356 0.507 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000174777047 389529285 /nfs/dbraw/zinc/52/92/85/389529285.db2.gz RGNDEFVKSBQRPF-STQMWFEESA-N 2 2 298.431 0.884 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000174777047 389529289 /nfs/dbraw/zinc/52/92/89/389529289.db2.gz RGNDEFVKSBQRPF-STQMWFEESA-N 2 2 298.431 0.884 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000174777047 389529292 /nfs/dbraw/zinc/52/92/92/389529292.db2.gz RGNDEFVKSBQRPF-STQMWFEESA-N 2 2 298.431 0.884 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000174777047 389529296 /nfs/dbraw/zinc/52/92/96/389529296.db2.gz RGNDEFVKSBQRPF-STQMWFEESA-N 2 2 298.431 0.884 20 0 CCADLP C[N@@H+]1CC[C@@H](NC(=O)C[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000335026076 389531804 /nfs/dbraw/zinc/53/18/04/389531804.db2.gz WAGJKMPFDDELRH-DGCLKSJQSA-N 2 2 269.295 0.785 20 0 CCADLP C[N@H+]1CC[C@@H](NC(=O)C[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000335026076 389531806 /nfs/dbraw/zinc/53/18/06/389531806.db2.gz WAGJKMPFDDELRH-DGCLKSJQSA-N 2 2 269.295 0.785 20 0 CCADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NC(=O)NCC)C1 ZINC000174963102 389533227 /nfs/dbraw/zinc/53/32/27/389533227.db2.gz CQJJAPZCMWTLBN-QWHCGFSZSA-N 2 2 298.431 0.884 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NC(=O)NCC)C1 ZINC000174963102 389533230 /nfs/dbraw/zinc/53/32/30/389533230.db2.gz CQJJAPZCMWTLBN-QWHCGFSZSA-N 2 2 298.431 0.884 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NCC)C1 ZINC000174963102 389533232 /nfs/dbraw/zinc/53/32/32/389533232.db2.gz CQJJAPZCMWTLBN-QWHCGFSZSA-N 2 2 298.431 0.884 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NCC)C1 ZINC000174963102 389533234 /nfs/dbraw/zinc/53/32/34/389533234.db2.gz CQJJAPZCMWTLBN-QWHCGFSZSA-N 2 2 298.431 0.884 20 0 CCADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(-n2cnnn2)cc1 ZINC000423204180 389552236 /nfs/dbraw/zinc/55/22/36/389552236.db2.gz NXGIFOPLWBABRB-PWSUYJOCSA-N 2 2 258.329 0.675 20 0 CCADLP CC[C@@H](C(=O)N1CC[NH2+][C@H](c2ccncc2)C1)[NH+](C)C ZINC000413783202 389556331 /nfs/dbraw/zinc/55/63/31/389556331.db2.gz LYFHJMKHHJVBHV-KBPBESRZSA-N 2 2 276.384 0.895 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423260591 389557540 /nfs/dbraw/zinc/55/75/40/389557540.db2.gz HPVMXDOCUVSWFP-JQWIXIFHSA-N 2 2 262.419 0.917 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@H]2C[C@@H](C)CC[NH2+]2)CC1 ZINC000423302819 389560528 /nfs/dbraw/zinc/56/05/28/389560528.db2.gz KRSZJFYZPUYIBH-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1cccc2c1NCC2 ZINC000414967924 389648969 /nfs/dbraw/zinc/64/89/69/389648969.db2.gz BWTBQLRFCPNPCC-CQSZACIVSA-N 2 2 260.385 0.648 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCN2CCOCC2(C)C)n1C ZINC000414320553 389611653 /nfs/dbraw/zinc/61/16/53/389611653.db2.gz CGVWZLGQIHZFEN-UHFFFAOYSA-N 2 2 295.431 0.687 20 0 CCADLP C[C@@H]1CCSCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000335937999 389617662 /nfs/dbraw/zinc/61/76/62/389617662.db2.gz YZWPUBBSKHDKAX-GFCCVEGCSA-N 2 2 271.430 0.588 20 0 CCADLP C[C@@H]1CCSCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000335937999 389617664 /nfs/dbraw/zinc/61/76/64/389617664.db2.gz YZWPUBBSKHDKAX-GFCCVEGCSA-N 2 2 271.430 0.588 20 0 CCADLP COC(=O)[C@H]1CN(Cc2[nH+]cc(C)n2C)CC[N@H+](C)C1 ZINC000414494429 389621226 /nfs/dbraw/zinc/62/12/26/389621226.db2.gz VLBYSQMBJMLUDM-GFCCVEGCSA-N 2 2 280.372 0.265 20 0 CCADLP COC(=O)[C@H]1CN(Cc2[nH+]cc(C)n2C)CC[N@@H+](C)C1 ZINC000414494429 389621230 /nfs/dbraw/zinc/62/12/30/389621230.db2.gz VLBYSQMBJMLUDM-GFCCVEGCSA-N 2 2 280.372 0.265 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1cc(F)cc(F)c1 ZINC000414958565 389647737 /nfs/dbraw/zinc/64/77/37/389647737.db2.gz DJIVIZFFXIRJQE-CYBMUJFWSA-N 2 2 255.312 0.958 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC1(C[NH+](C)C)CCC1 ZINC000281839449 389627081 /nfs/dbraw/zinc/62/70/81/389627081.db2.gz WYYXZXWILXJIPR-UHFFFAOYSA-N 2 2 264.373 0.953 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC(C)(CO)CC1)C1CC1 ZINC000351601388 389627794 /nfs/dbraw/zinc/62/77/94/389627794.db2.gz FJZAMSSWZCUCJL-ZDUSSCGKSA-N 2 2 256.390 0.536 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(C)(CO)CC1)C1CC1 ZINC000351601388 389627799 /nfs/dbraw/zinc/62/77/99/389627799.db2.gz FJZAMSSWZCUCJL-ZDUSSCGKSA-N 2 2 256.390 0.536 20 0 CCADLP COCCCn1nccc1C[NH2+]C[C@H]([NH3+])C(C)C ZINC000414793270 389638138 /nfs/dbraw/zinc/63/81/38/389638138.db2.gz KBHHJYYXDRRFFL-ZDUSSCGKSA-N 2 2 254.378 0.993 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000281984624 389642491 /nfs/dbraw/zinc/64/24/91/389642491.db2.gz CDDQUTVLFUAGIJ-LLVKDONJSA-N 2 2 250.346 0.744 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000281984624 389642496 /nfs/dbraw/zinc/64/24/96/389642496.db2.gz CDDQUTVLFUAGIJ-LLVKDONJSA-N 2 2 250.346 0.744 20 0 CCADLP C[C@@H](C(=O)N(C)C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000336528187 389643126 /nfs/dbraw/zinc/64/31/26/389643126.db2.gz ALYGNFWZWGBVHT-NSHDSACASA-N 2 2 250.346 0.997 20 0 CCADLP [NH3+]CCN(CCO)Cc1c[nH+]c2ccc(Cl)cn12 ZINC000414917815 389645138 /nfs/dbraw/zinc/64/51/38/389645138.db2.gz WVSWATGNSAICTA-UHFFFAOYSA-N 2 2 268.748 0.741 20 0 CCADLP CNC(=O)C[C@H](C)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000423415881 389582883 /nfs/dbraw/zinc/58/28/83/389582883.db2.gz FCXQVUPTWIHHPJ-SMDDNHRTSA-N 2 2 261.369 0.988 20 0 CCADLP CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351474134 389585271 /nfs/dbraw/zinc/58/52/71/389585271.db2.gz FLMLLIDIEIRRBH-HUUCEWRRSA-N 2 2 297.443 0.774 20 0 CCADLP CCN(CC)C(=O)[C@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351474134 389585275 /nfs/dbraw/zinc/58/52/75/389585275.db2.gz FLMLLIDIEIRRBH-HUUCEWRRSA-N 2 2 297.443 0.774 20 0 CCADLP CCN(CC)C(=O)[C@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000351474134 389585280 /nfs/dbraw/zinc/58/52/80/389585280.db2.gz FLMLLIDIEIRRBH-HUUCEWRRSA-N 2 2 297.443 0.774 20 0 CCADLP CCN(CC)C(=O)[C@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351474134 389585285 /nfs/dbraw/zinc/58/52/85/389585285.db2.gz FLMLLIDIEIRRBH-HUUCEWRRSA-N 2 2 297.443 0.774 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423430585 389585808 /nfs/dbraw/zinc/58/58/08/389585808.db2.gz LDBCQTMSRIBLCM-REBRKWNGSA-N 3 2 267.417 0.731 20 0 CCADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000423457152 389590089 /nfs/dbraw/zinc/59/00/89/389590089.db2.gz FNMYJQJGTAKOAP-IPYPFGDCSA-N 2 2 295.427 0.826 20 0 CCADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000423457152 389590092 /nfs/dbraw/zinc/59/00/92/389590092.db2.gz FNMYJQJGTAKOAP-IPYPFGDCSA-N 2 2 295.427 0.826 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@H](C)C[NH3+] ZINC000423462801 389590524 /nfs/dbraw/zinc/59/05/24/389590524.db2.gz URNLBRCQPNQVOT-VXGBXAGGSA-N 2 2 257.378 0.198 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@H](C)C[NH3+] ZINC000423462801 389590530 /nfs/dbraw/zinc/59/05/30/389590530.db2.gz URNLBRCQPNQVOT-VXGBXAGGSA-N 2 2 257.378 0.198 20 0 CCADLP [NH3+]C1(CNC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CCC1 ZINC000423506928 389596486 /nfs/dbraw/zinc/59/64/86/389596486.db2.gz JBBJNIUVJZVWQA-ZDUSSCGKSA-N 2 2 281.400 0.485 20 0 CCADLP [NH3+]C1(CNC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CCC1 ZINC000423506928 389596489 /nfs/dbraw/zinc/59/64/89/389596489.db2.gz JBBJNIUVJZVWQA-ZDUSSCGKSA-N 2 2 281.400 0.485 20 0 CCADLP Cn1c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)nnc1C1CC1 ZINC000351501442 389597740 /nfs/dbraw/zinc/59/77/40/389597740.db2.gz YBCOHCVZDIHLGB-TUAOUCFPSA-N 2 2 261.373 0.862 20 0 CCADLP Cn1c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)nnc1C1CC1 ZINC000351501442 389597745 /nfs/dbraw/zinc/59/77/45/389597745.db2.gz YBCOHCVZDIHLGB-TUAOUCFPSA-N 2 2 261.373 0.862 20 0 CCADLP COC[C@]1(C[NH2+][C@H](C)C[C@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000414950525 389646537 /nfs/dbraw/zinc/64/65/37/389646537.db2.gz FHGFIFOPTQSTJS-MGPQQGTHSA-N 3 2 255.406 0.875 20 0 CCADLP COC[C@]1(C[NH2+]Cc2c(C)nn(C)c2C)CCC[NH2+]1 ZINC000414945309 389646597 /nfs/dbraw/zinc/64/65/97/389646597.db2.gz PZKUHXRCFNVEET-CQSZACIVSA-N 2 2 266.389 0.895 20 0 CCADLP COc1cc(C)c(C[NH2+]C[C@H]2C[NH2+]CCO2)c(C)n1 ZINC000415095745 389658776 /nfs/dbraw/zinc/65/87/76/389658776.db2.gz OAURRFIGCFYMHV-GFCCVEGCSA-N 2 2 265.357 0.785 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)NCCCN1CC[NH2+]CC1 ZINC000415377049 389678959 /nfs/dbraw/zinc/67/89/59/389678959.db2.gz AHFGVFOLHXZQOA-UHFFFAOYSA-N 2 2 277.372 0.229 20 0 CCADLP COCC[NH2+]CCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000415631294 389695977 /nfs/dbraw/zinc/69/59/77/389695977.db2.gz KVRAEWUNVAQFDU-UHFFFAOYSA-N 2 2 277.328 0.692 20 0 CCADLP CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000375650926 389697081 /nfs/dbraw/zinc/69/70/81/389697081.db2.gz FNABUJSHPBPCAO-LBPRGKRZSA-N 2 2 277.434 0.294 20 0 CCADLP CN(C)S(=O)(=O)CC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000375650926 389697084 /nfs/dbraw/zinc/69/70/84/389697084.db2.gz FNABUJSHPBPCAO-LBPRGKRZSA-N 2 2 277.434 0.294 20 0 CCADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)C(N)=O)CC1 ZINC000183095391 389724417 /nfs/dbraw/zinc/72/44/17/389724417.db2.gz WYSJBVWTFMIHLO-NSHDSACASA-N 2 2 257.378 0.339 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000182298922 389705536 /nfs/dbraw/zinc/70/55/36/389705536.db2.gz VNPRATJANLLVOO-ZDUSSCGKSA-N 2 2 299.415 0.424 20 0 CCADLP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000352178000 389766063 /nfs/dbraw/zinc/76/60/63/389766063.db2.gz IROIGIGUBANKHA-OLZOCXBDSA-N 2 2 271.405 0.600 20 0 CCADLP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000352178000 389766065 /nfs/dbraw/zinc/76/60/65/389766065.db2.gz IROIGIGUBANKHA-OLZOCXBDSA-N 2 2 271.405 0.600 20 0 CCADLP COC[C@]1(C(=O)N(C)Cc2[nH+]ccn2C)CC[NH2+]C1 ZINC000388392210 389769611 /nfs/dbraw/zinc/76/96/11/389769611.db2.gz VQPKAAPDTWQEJI-ZDUSSCGKSA-N 2 2 266.345 0.005 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)CC[NH2+]1 ZINC000416812361 389772742 /nfs/dbraw/zinc/77/27/42/389772742.db2.gz DVBOMRJAOOEDFY-STQMWFEESA-N 2 2 298.431 0.537 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000352218072 389773657 /nfs/dbraw/zinc/77/36/57/389773657.db2.gz VBFNHTYENWYYPZ-OAHLLOKOSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCN1CC=CCC1 ZINC000392289503 389774424 /nfs/dbraw/zinc/77/44/24/389774424.db2.gz INBSQCXVSIFDNI-ZIAGYGMSSA-N 2 2 253.390 0.605 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)NCC[N@H+]1CC=CCC1 ZINC000392289503 389774426 /nfs/dbraw/zinc/77/44/26/389774426.db2.gz INBSQCXVSIFDNI-ZIAGYGMSSA-N 2 2 253.390 0.605 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)NCC[N@@H+]1CC=CCC1 ZINC000392289503 389774428 /nfs/dbraw/zinc/77/44/28/389774428.db2.gz INBSQCXVSIFDNI-ZIAGYGMSSA-N 2 2 253.390 0.605 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000416834014 389775422 /nfs/dbraw/zinc/77/54/22/389775422.db2.gz WCRZKWUHADPNQQ-LBPRGKRZSA-N 2 2 286.420 0.380 20 0 CCADLP C[C@@H](CC[NH3+])NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000416946279 389783449 /nfs/dbraw/zinc/78/34/49/389783449.db2.gz NXVPXSVYZOVCPY-NSHDSACASA-N 2 2 275.356 0.913 20 0 CCADLP C[C@@H](C[NH3+])CNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000416948451 389783490 /nfs/dbraw/zinc/78/34/90/389783490.db2.gz PHVAZKMMDSOPPC-NSHDSACASA-N 2 2 275.356 0.771 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000416999918 389787715 /nfs/dbraw/zinc/78/77/15/389787715.db2.gz CMACAKSAMUEGKY-LBPRGKRZSA-N 2 2 279.388 0.930 20 0 CCADLP CN(C)c1ccc(CNC(=O)NCC(F)(F)C[NH3+])c[nH+]1 ZINC000417010579 389788727 /nfs/dbraw/zinc/78/87/27/389788727.db2.gz PSQKZJTXIHHHSK-UHFFFAOYSA-N 2 2 287.314 0.541 20 0 CCADLP CN(C)c1ccc(CNC(=O)NC[C@@H]([NH3+])C2CC2)c[nH+]1 ZINC000417009200 389789229 /nfs/dbraw/zinc/78/92/29/389789229.db2.gz NGYJPIAIGRNELR-GFCCVEGCSA-N 2 2 277.372 0.684 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000417019953 389790642 /nfs/dbraw/zinc/79/06/42/389790642.db2.gz GWWGCGIPGQQNQQ-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP CCC([NH3+])(CC)CNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000417033353 389791042 /nfs/dbraw/zinc/79/10/42/389791042.db2.gz QIDHYBUQIYCUQV-GFCCVEGCSA-N 2 2 286.420 0.524 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1C[C@]2(CCOC2)OC(C)(C)C1)C1CC1 ZINC000352341417 389792943 /nfs/dbraw/zinc/79/29/43/389792943.db2.gz GZGIVJOFRBEPIK-ZBFHGGJFSA-N 2 2 298.427 0.711 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1C[C@]2(CCOC2)OC(C)(C)C1)C1CC1 ZINC000352341417 389792945 /nfs/dbraw/zinc/79/29/45/389792945.db2.gz GZGIVJOFRBEPIK-ZBFHGGJFSA-N 2 2 298.427 0.711 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1)C1CC1 ZINC000352341417 389792946 /nfs/dbraw/zinc/79/29/46/389792946.db2.gz GZGIVJOFRBEPIK-ZBFHGGJFSA-N 2 2 298.427 0.711 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1)C1CC1 ZINC000352341417 389792947 /nfs/dbraw/zinc/79/29/47/389792947.db2.gz GZGIVJOFRBEPIK-ZBFHGGJFSA-N 2 2 298.427 0.711 20 0 CCADLP [NH3+]CCCCNC(=O)NCCCNc1cccc[nH+]1 ZINC000417080906 389794330 /nfs/dbraw/zinc/79/43/30/389794330.db2.gz PFMQRDLAXODCLG-UHFFFAOYSA-N 2 2 265.361 0.922 20 0 CCADLP O=C(NCCCNc1cccc[nH+]1)N[C@H]1CC[NH2+]C1 ZINC000417082523 389795046 /nfs/dbraw/zinc/79/50/46/389795046.db2.gz RULKRNOHSVJVNZ-NSHDSACASA-N 2 2 263.345 0.545 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)[C@@H](C)C[N@@H+]1C ZINC000352013280 389735470 /nfs/dbraw/zinc/73/54/70/389735470.db2.gz IIDWISZYRBGFBE-AGIUHOORSA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)[C@@H](C)C[N@H+]1C ZINC000352013280 389735472 /nfs/dbraw/zinc/73/54/72/389735472.db2.gz IIDWISZYRBGFBE-AGIUHOORSA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@H]1CCN(C(=O)NCC[NH+]2CCOCC2)[C@H](C[NH3+])C1 ZINC000416432063 389742211 /nfs/dbraw/zinc/74/22/11/389742211.db2.gz DFYNQGLMWMVGNA-OLZOCXBDSA-N 2 2 284.404 0.087 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C)n(C)n1 ZINC000430564962 389807831 /nfs/dbraw/zinc/80/78/31/389807831.db2.gz NUNUPZXNIYSDTO-LBPRGKRZSA-N 2 2 281.404 0.972 20 0 CCADLP Cc1cc(NC(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C)n(C)n1 ZINC000430564962 389807832 /nfs/dbraw/zinc/80/78/32/389807832.db2.gz NUNUPZXNIYSDTO-LBPRGKRZSA-N 2 2 281.404 0.972 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@H](C)CS(C)(=O)=O ZINC000430584991 389809803 /nfs/dbraw/zinc/80/98/03/389809803.db2.gz QVPDOEDTKSVDCG-NWDGAFQWSA-N 2 2 264.435 0.972 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@H](C)CS(C)(=O)=O ZINC000430584991 389809805 /nfs/dbraw/zinc/80/98/05/389809805.db2.gz QVPDOEDTKSVDCG-NWDGAFQWSA-N 2 2 264.435 0.972 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000430593284 389810680 /nfs/dbraw/zinc/81/06/80/389810680.db2.gz ORINGRQVIRYSPJ-OAHLLOKOSA-N 3 2 298.475 0.892 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000430593284 389810682 /nfs/dbraw/zinc/81/06/82/389810682.db2.gz ORINGRQVIRYSPJ-OAHLLOKOSA-N 3 2 298.475 0.892 20 0 CCADLP [NH3+]CC[C@H]1CCC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000443065934 389872691 /nfs/dbraw/zinc/87/26/91/389872691.db2.gz CSRNABLKIXZCRO-LLVKDONJSA-N 2 2 275.356 0.583 20 0 CCADLP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000443065934 389872693 /nfs/dbraw/zinc/87/26/93/389872693.db2.gz CSRNABLKIXZCRO-LLVKDONJSA-N 2 2 275.356 0.583 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000417413270 389814294 /nfs/dbraw/zinc/81/42/94/389814294.db2.gz GDHGTJYUKLFSDN-CHWSQXEVSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000417413270 389814296 /nfs/dbraw/zinc/81/42/96/389814296.db2.gz GDHGTJYUKLFSDN-CHWSQXEVSA-N 2 2 298.431 0.476 20 0 CCADLP CN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430640995 389815591 /nfs/dbraw/zinc/81/55/91/389815591.db2.gz RUXFEPFYXQSECE-SECBINFHSA-N 2 2 267.295 0.678 20 0 CCADLP CN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430640995 389815594 /nfs/dbraw/zinc/81/55/94/389815594.db2.gz RUXFEPFYXQSECE-SECBINFHSA-N 2 2 267.295 0.678 20 0 CCADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH+]1CCC([NH3+])CC1 ZINC000430640554 389815610 /nfs/dbraw/zinc/81/56/10/389815610.db2.gz RHFOPTVOCHHTSX-DGCLKSJQSA-N 2 2 296.415 0.814 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC(C)(C)OCCO ZINC000352504956 389820837 /nfs/dbraw/zinc/82/08/37/389820837.db2.gz WMSYSZGPMWYCPF-WCQYABFASA-N 2 2 256.390 0.846 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC(C)(C)OCCO ZINC000352504956 389820839 /nfs/dbraw/zinc/82/08/39/389820839.db2.gz WMSYSZGPMWYCPF-WCQYABFASA-N 2 2 256.390 0.846 20 0 CCADLP CCN(CC)c1ccc(CNC(=O)COC2C[NH2+]C2)c[nH+]1 ZINC000430746176 389821889 /nfs/dbraw/zinc/82/18/89/389821889.db2.gz GKMZNDCIABRYBX-UHFFFAOYSA-N 2 2 292.383 0.532 20 0 CCADLP C[C@@H]1CCN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)[C@H](C[NH3+])C1 ZINC000417515973 389824253 /nfs/dbraw/zinc/82/42/53/389824253.db2.gz MJMWFQQOEQWTOX-MCIONIFRSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H]1CCN(C(=O)NCC[N@H+]2CCOC[C@H]2C)[C@H](C[NH3+])C1 ZINC000417515973 389824257 /nfs/dbraw/zinc/82/42/57/389824257.db2.gz MJMWFQQOEQWTOX-MCIONIFRSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@H](NC(=O)N1CC[NH2+][C@@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000417515457 389824505 /nfs/dbraw/zinc/82/45/05/389824505.db2.gz DIZQVFJLIZWMLD-AVGNSLFASA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H](NC(=O)N1CC[C@H]([NH3+])[C@@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000417521304 389825959 /nfs/dbraw/zinc/82/59/59/389825959.db2.gz PDLSKOWNCDVRLV-VOAKCMCISA-N 2 2 284.404 0.227 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000417526193 389827005 /nfs/dbraw/zinc/82/70/05/389827005.db2.gz MFUBLAYMHZXLLS-IHRRRGAJSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC000417526193 389827008 /nfs/dbraw/zinc/82/70/08/389827008.db2.gz MFUBLAYMHZXLLS-IHRRRGAJSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000417528373 389827377 /nfs/dbraw/zinc/82/73/77/389827377.db2.gz PQMVODATJUGYGK-HZSPNIEDSA-N 2 2 298.431 0.524 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000417528373 389827381 /nfs/dbraw/zinc/82/73/81/389827381.db2.gz PQMVODATJUGYGK-HZSPNIEDSA-N 2 2 298.431 0.524 20 0 CCADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000430897741 389833365 /nfs/dbraw/zinc/83/33/65/389833365.db2.gz QOIKGEMIMQDTGK-MRVPVSSYSA-N 2 2 276.262 0.671 20 0 CCADLP C[C@H](NC(=O)NCC[N@H+](C)C1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000352730653 389835706 /nfs/dbraw/zinc/83/57/06/389835706.db2.gz JJVDTEBFQCFBRR-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](NC(=O)NCC[N@@H+](C)C1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000352730653 389835711 /nfs/dbraw/zinc/83/57/11/389835711.db2.gz JJVDTEBFQCFBRR-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)NCc2cc(F)cc(F)c2)C1 ZINC000430965576 389841923 /nfs/dbraw/zinc/84/19/23/389841923.db2.gz LOGKAHYOFOZRKW-JTQLQIEISA-N 2 2 283.322 0.862 20 0 CCADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)NCc2cc(F)cc(F)c2)C1 ZINC000430965576 389841927 /nfs/dbraw/zinc/84/19/27/389841927.db2.gz LOGKAHYOFOZRKW-JTQLQIEISA-N 2 2 283.322 0.862 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430974365 389842850 /nfs/dbraw/zinc/84/28/50/389842850.db2.gz YYHAAKDWDJKCIL-WOPDTQHZSA-N 2 2 284.404 0.526 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430974365 389842852 /nfs/dbraw/zinc/84/28/52/389842852.db2.gz YYHAAKDWDJKCIL-WOPDTQHZSA-N 2 2 284.404 0.526 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000431042722 389847330 /nfs/dbraw/zinc/84/73/30/389847330.db2.gz KLCLOPGBKPGUBR-VIFPVBQESA-N 2 2 283.376 0.338 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000431053886 389847866 /nfs/dbraw/zinc/84/78/66/389847866.db2.gz BDEGXQAIVAKVRN-LLVKDONJSA-N 2 2 257.378 0.197 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000431053886 389847871 /nfs/dbraw/zinc/84/78/71/389847871.db2.gz BDEGXQAIVAKVRN-LLVKDONJSA-N 2 2 257.378 0.197 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@H](C)C[NH3+] ZINC000417744873 389848261 /nfs/dbraw/zinc/84/82/61/389848261.db2.gz ZDOZISBDCFUKQM-LLVKDONJSA-N 2 2 267.377 0.933 20 0 CCADLP C[C@H](CC[NH3+])NC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000417817377 389852234 /nfs/dbraw/zinc/85/22/34/389852234.db2.gz VMXMXJANNIJVQY-RDDDGLTNSA-N 2 2 257.284 0.818 20 0 CCADLP CO[C@@H](C)c1noc(C[N@@H+]2CCCN(C[C@@H](C)[NH3+])CC2)n1 ZINC000442655678 389853575 /nfs/dbraw/zinc/85/35/75/389853575.db2.gz ZWRQRCOOPDZRIE-NEPJUHHUSA-N 2 2 297.403 0.632 20 0 CCADLP CO[C@@H](C)c1noc(C[N@H+]2CCCN(C[C@@H](C)[NH3+])CC2)n1 ZINC000442655678 389853578 /nfs/dbraw/zinc/85/35/78/389853578.db2.gz ZWRQRCOOPDZRIE-NEPJUHHUSA-N 2 2 297.403 0.632 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCNS(=O)(=O)c1ccccc1 ZINC000442764438 389862187 /nfs/dbraw/zinc/86/21/87/389862187.db2.gz TWCHFIBXEZZXNR-CHWSQXEVSA-N 2 2 297.424 0.634 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCNS(=O)(=O)c1ccccc1 ZINC000442764438 389862189 /nfs/dbraw/zinc/86/21/89/389862189.db2.gz TWCHFIBXEZZXNR-CHWSQXEVSA-N 2 2 297.424 0.634 20 0 CCADLP C[C@@H]1C[N@H+](C)CCN1c1cc[nH+]c(N2CCOCC2)n1 ZINC000443445582 389879612 /nfs/dbraw/zinc/87/96/12/389879612.db2.gz NBIHCZYDHJMAHF-GFCCVEGCSA-N 2 2 277.372 0.454 20 0 CCADLP C[C@@H]1C[N@@H+](C)CCN1c1cc[nH+]c(N2CCOCC2)n1 ZINC000443445582 389879614 /nfs/dbraw/zinc/87/96/14/389879614.db2.gz NBIHCZYDHJMAHF-GFCCVEGCSA-N 2 2 277.372 0.454 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CC2(CO)CCC2)n1C ZINC000419688871 389905955 /nfs/dbraw/zinc/90/59/55/389905955.db2.gz SAPLCDZPCRISFZ-UHFFFAOYSA-N 2 2 252.362 0.738 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000447438629 389955457 /nfs/dbraw/zinc/95/54/57/389955457.db2.gz HBBKSKTVKZODSR-AWEZNQCLSA-N 2 2 288.351 0.852 20 0 CCADLP C[NH2+]CCCN1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000435876442 389964903 /nfs/dbraw/zinc/96/49/03/389964903.db2.gz INHRVRPEGFVEOS-UHFFFAOYSA-N 2 2 282.432 0.226 20 0 CCADLP CCCC[N@H+](CCC[NH2+]C)[C@H]1CCS(=O)(=O)C1 ZINC000435880053 389965063 /nfs/dbraw/zinc/96/50/63/389965063.db2.gz HGMAKBMBQWKMKO-LBPRGKRZSA-N 2 2 262.419 0.885 20 0 CCADLP CCCC[N@@H+](CCC[NH2+]C)[C@H]1CCS(=O)(=O)C1 ZINC000435880053 389965064 /nfs/dbraw/zinc/96/50/64/389965064.db2.gz HGMAKBMBQWKMKO-LBPRGKRZSA-N 2 2 262.419 0.885 20 0 CCADLP C[NH2+]CCC[N@@H+](CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000435881979 389965156 /nfs/dbraw/zinc/96/51/56/389965156.db2.gz WUZCUOOTZMLPHJ-CQSZACIVSA-N 2 2 283.416 0.699 20 0 CCADLP C[NH2+]CCC[N@H+](CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000435881979 389965158 /nfs/dbraw/zinc/96/51/58/389965158.db2.gz WUZCUOOTZMLPHJ-CQSZACIVSA-N 2 2 283.416 0.699 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000446401572 389935686 /nfs/dbraw/zinc/93/56/86/389935686.db2.gz ZUGHYYDDHVOKHE-RQJABVFESA-N 2 2 299.390 0.256 20 0 CCADLP CO[C@]1(C)C[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000446969371 389943462 /nfs/dbraw/zinc/94/34/62/389943462.db2.gz JYSSDCXRKREXBY-SWLSCSKDSA-N 2 2 283.416 0.554 20 0 CCADLP COCCO[C@@H]1C[C@H](CO)C[N@H+](CCn2cc[nH+]c2)C1 ZINC000447392465 389953444 /nfs/dbraw/zinc/95/34/44/389953444.db2.gz HNVMDSCGLYCPOZ-UONOGXRCSA-N 2 2 283.372 0.229 20 0 CCADLP COCCO[C@@H]1C[C@H](CO)C[N@@H+](CCn2cc[nH+]c2)C1 ZINC000447392465 389953445 /nfs/dbraw/zinc/95/34/45/389953445.db2.gz HNVMDSCGLYCPOZ-UONOGXRCSA-N 2 2 283.372 0.229 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000420278188 389977035 /nfs/dbraw/zinc/97/70/35/389977035.db2.gz UYDWTPAUJRRCFM-UONOGXRCSA-N 3 2 282.432 0.352 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000420278188 389977037 /nfs/dbraw/zinc/97/70/37/389977037.db2.gz UYDWTPAUJRRCFM-UONOGXRCSA-N 3 2 282.432 0.352 20 0 CCADLP COC(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000420292717 389978950 /nfs/dbraw/zinc/97/89/50/389978950.db2.gz LZTZPGJCCLYGRN-LLVKDONJSA-N 2 2 291.351 0.692 20 0 CCADLP COC(=O)c1cccc(NC(=O)C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000420292717 389978952 /nfs/dbraw/zinc/97/89/52/389978952.db2.gz LZTZPGJCCLYGRN-LLVKDONJSA-N 2 2 291.351 0.692 20 0 CCADLP CC(C)N1CCC[C@@H]([N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1=O ZINC000420332651 389984702 /nfs/dbraw/zinc/98/47/02/389984702.db2.gz DLRUQNMEFQIDIM-UPJWGTAASA-N 2 2 251.374 0.680 20 0 CCADLP CC(C)N1CCC[C@@H]([N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1=O ZINC000420332651 389984705 /nfs/dbraw/zinc/98/47/05/389984705.db2.gz DLRUQNMEFQIDIM-UPJWGTAASA-N 2 2 251.374 0.680 20 0 CCADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000420343927 389986953 /nfs/dbraw/zinc/98/69/53/389986953.db2.gz XDEUITTXBMGTPY-XVSSEFHLSA-N 2 2 296.415 0.812 20 0 CCADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000420343927 389986955 /nfs/dbraw/zinc/98/69/55/389986955.db2.gz XDEUITTXBMGTPY-XVSSEFHLSA-N 2 2 296.415 0.812 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH3+])[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000420356150 389990919 /nfs/dbraw/zinc/99/09/19/389990919.db2.gz QNEYCTIHFIQYCX-QWHCGFSZSA-N 2 2 297.786 0.697 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH3+])[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000420356150 389990920 /nfs/dbraw/zinc/99/09/20/389990920.db2.gz QNEYCTIHFIQYCX-QWHCGFSZSA-N 2 2 297.786 0.697 20 0 CCADLP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420361560 389992188 /nfs/dbraw/zinc/99/21/88/389992188.db2.gz YJXOECJDXMCOJE-WCBMZHEXSA-N 2 2 287.310 0.543 20 0 CCADLP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420361560 389992189 /nfs/dbraw/zinc/99/21/89/389992189.db2.gz YJXOECJDXMCOJE-WCBMZHEXSA-N 2 2 287.310 0.543 20 0 CCADLP Cc1cc(NC(=O)C[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)n(C)n1 ZINC000420365506 389992423 /nfs/dbraw/zinc/99/24/23/389992423.db2.gz LFDBHBRBCZLFAG-NURSFMCSSA-N 2 2 279.388 0.643 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC000420365179 389992901 /nfs/dbraw/zinc/99/29/01/389992901.db2.gz KWZTXAHTDCODMN-SUNKGSAMSA-N 2 2 253.390 0.831 20 0 CCADLP COC[C@](C)(O)CC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000449384651 389993477 /nfs/dbraw/zinc/99/34/77/389993477.db2.gz NZIMRVAVJTWWFC-MBNYWOFBSA-N 2 2 256.390 0.989 20 0 CCADLP COC[C@](C)(O)CC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000449384651 389993482 /nfs/dbraw/zinc/99/34/82/389993482.db2.gz NZIMRVAVJTWWFC-MBNYWOFBSA-N 2 2 256.390 0.989 20 0 CCADLP COC(=O)[C@H]1c2ccccc2CC[N@H+]1CCOCC[NH3+] ZINC000420370904 389994020 /nfs/dbraw/zinc/99/40/20/389994020.db2.gz ZKZVGUOQAJMUKP-CQSZACIVSA-N 2 2 278.352 0.734 20 0 CCADLP COC(=O)[C@H]1c2ccccc2CC[N@@H+]1CCOCC[NH3+] ZINC000420370904 389994021 /nfs/dbraw/zinc/99/40/21/389994021.db2.gz ZKZVGUOQAJMUKP-CQSZACIVSA-N 2 2 278.352 0.734 20 0 CCADLP C[NH2+]CCC[N@H+](C)[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC000420392193 389996221 /nfs/dbraw/zinc/99/62/21/389996221.db2.gz UQVYPKZVNOWWGL-VXGBXAGGSA-N 2 2 257.378 0.211 20 0 CCADLP C[NH2+]CCC[N@@H+](C)[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC000420392193 389996223 /nfs/dbraw/zinc/99/62/23/389996223.db2.gz UQVYPKZVNOWWGL-VXGBXAGGSA-N 2 2 257.378 0.211 20 0 CCADLP COC(=O)CC1(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000420396864 389996609 /nfs/dbraw/zinc/99/66/09/389996609.db2.gz WPBPEIAZMSHTIN-NSHDSACASA-N 2 2 256.346 0.379 20 0 CCADLP COC(=O)CC1(C[N@H+]2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000420396864 389996612 /nfs/dbraw/zinc/99/66/12/389996612.db2.gz WPBPEIAZMSHTIN-NSHDSACASA-N 2 2 256.346 0.379 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)C2C[NH+](C3CCCCC3)C2)C1 ZINC000457507027 390045396 /nfs/dbraw/zinc/04/53/96/390045396.db2.gz JOQCRUYZKYFSCT-OAHLLOKOSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)C2C[NH+](C3CCCCC3)C2)C1 ZINC000457507027 390045397 /nfs/dbraw/zinc/04/53/97/390045397.db2.gz JOQCRUYZKYFSCT-OAHLLOKOSA-N 2 2 295.427 0.698 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456216530 390013611 /nfs/dbraw/zinc/01/36/11/390013611.db2.gz NXOBNBCNGYSYPS-QLFBSQMISA-N 2 2 295.427 0.840 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456216530 390013612 /nfs/dbraw/zinc/01/36/12/390013612.db2.gz NXOBNBCNGYSYPS-QLFBSQMISA-N 2 2 295.427 0.840 20 0 CCADLP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456216530 390013613 /nfs/dbraw/zinc/01/36/13/390013613.db2.gz NXOBNBCNGYSYPS-QLFBSQMISA-N 2 2 295.427 0.840 20 0 CCADLP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456216530 390013614 /nfs/dbraw/zinc/01/36/14/390013614.db2.gz NXOBNBCNGYSYPS-QLFBSQMISA-N 2 2 295.427 0.840 20 0 CCADLP CCOCCNC(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000440360758 390035915 /nfs/dbraw/zinc/03/59/15/390035915.db2.gz SFCQARRWBJBUBL-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP CCOCCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000440360758 390035917 /nfs/dbraw/zinc/03/59/17/390035917.db2.gz SFCQARRWBJBUBL-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP CCOCCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000440360758 390035918 /nfs/dbraw/zinc/03/59/18/390035918.db2.gz SFCQARRWBJBUBL-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP CCOCCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000440360758 390035921 /nfs/dbraw/zinc/03/59/21/390035921.db2.gz SFCQARRWBJBUBL-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP COc1ccccc1/C=C\C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000493108590 390118946 /nfs/dbraw/zinc/11/89/46/390118946.db2.gz SNMQKJOVRXWFJT-DANTVBBOSA-N 2 2 289.379 0.810 20 0 CCADLP COc1ccccc1/C=C\C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000493108590 390118947 /nfs/dbraw/zinc/11/89/47/390118947.db2.gz SNMQKJOVRXWFJT-DANTVBBOSA-N 2 2 289.379 0.810 20 0 CCADLP Cc1nc(N2CC[N@@H+](C)C[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000488424369 390093788 /nfs/dbraw/zinc/09/37/88/390093788.db2.gz RPBXGIVKLOUGFR-VIFPVBQESA-N 2 2 250.350 0.386 20 0 CCADLP Cc1nc(N2CC[N@H+](C)C[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000488424369 390093789 /nfs/dbraw/zinc/09/37/89/390093789.db2.gz RPBXGIVKLOUGFR-VIFPVBQESA-N 2 2 250.350 0.386 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000488569841 390094686 /nfs/dbraw/zinc/09/46/86/390094686.db2.gz UNYPGVCFFLDKJB-VHDGCEQUSA-N 2 2 288.395 0.752 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000488569841 390094687 /nfs/dbraw/zinc/09/46/87/390094687.db2.gz UNYPGVCFFLDKJB-VHDGCEQUSA-N 2 2 288.395 0.752 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000488576155 390094890 /nfs/dbraw/zinc/09/48/90/390094890.db2.gz ITVVIJPYUKGPDV-YUELXQCFSA-N 2 2 288.395 0.752 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000488576155 390094891 /nfs/dbraw/zinc/09/48/91/390094891.db2.gz ITVVIJPYUKGPDV-YUELXQCFSA-N 2 2 288.395 0.752 20 0 CCADLP Cc1ncc2c(n1)CC[N@@H+](CCC[NH+]1CCOCC1)C2 ZINC000537994056 390187039 /nfs/dbraw/zinc/18/70/39/390187039.db2.gz ZAXAAWLADFYWPC-UHFFFAOYSA-N 2 2 276.384 0.865 20 0 CCADLP Cc1ncc2c(n1)CC[N@H+](CCC[NH+]1CCOCC1)C2 ZINC000537994056 390187041 /nfs/dbraw/zinc/18/70/41/390187041.db2.gz ZAXAAWLADFYWPC-UHFFFAOYSA-N 2 2 276.384 0.865 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493433150 390125626 /nfs/dbraw/zinc/12/56/26/390125626.db2.gz LZKSGEBUJOASFM-GFUIURDCSA-N 2 2 280.372 0.632 20 0 CCADLP CC[NH+]1CCN([C@@H](C)CNC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493486225 390126658 /nfs/dbraw/zinc/12/66/58/390126658.db2.gz MRYOIAJPRQEEGL-ZFDPJTLLSA-N 2 2 291.399 0.565 20 0 CCADLP CC[NH+]1CCN([C@H](C)CNC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493486222 390126721 /nfs/dbraw/zinc/12/67/21/390126721.db2.gz MRYOIAJPRQEEGL-DSYXLKISSA-N 2 2 291.399 0.565 20 0 CCADLP C[N@@H+]1CCN(C(=O)/C=C\c2ccsc2)[C@@H](C[NH3+])C1 ZINC000493609581 390127411 /nfs/dbraw/zinc/12/74/11/390127411.db2.gz DFECXUYRWXCIFX-DLGQBQFBSA-N 2 2 265.382 0.863 20 0 CCADLP C[N@H+]1CCN(C(=O)/C=C\c2ccsc2)[C@@H](C[NH3+])C1 ZINC000493609581 390127412 /nfs/dbraw/zinc/12/74/12/390127412.db2.gz DFECXUYRWXCIFX-DLGQBQFBSA-N 2 2 265.382 0.863 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000493993322 390139238 /nfs/dbraw/zinc/13/92/38/390139238.db2.gz TUOLNLHJASMALG-GHMZBOCLSA-N 2 2 265.361 0.037 20 0 CCADLP Cc1[nH]c2nc[nH+]c(NCC(=O)N3CC[NH2+]CC3)c2c1C ZINC000647703914 390140648 /nfs/dbraw/zinc/14/06/48/390140648.db2.gz PDMYZBSXPSUVPR-UHFFFAOYSA-N 2 2 288.355 0.418 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)Nc2ccncc2)C1 ZINC000535313750 390142560 /nfs/dbraw/zinc/14/25/60/390142560.db2.gz OBJJSQNFAIIIIX-GFCCVEGCSA-N 2 2 285.351 0.665 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)Nc2ccncc2)C1 ZINC000535313750 390142564 /nfs/dbraw/zinc/14/25/64/390142564.db2.gz OBJJSQNFAIIIIX-GFCCVEGCSA-N 2 2 285.351 0.665 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494094136 390148631 /nfs/dbraw/zinc/14/86/31/390148631.db2.gz HUIPRPSOBVQLRK-GFCCVEGCSA-N 2 2 264.329 0.718 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494094136 390148633 /nfs/dbraw/zinc/14/86/33/390148633.db2.gz HUIPRPSOBVQLRK-GFCCVEGCSA-N 2 2 264.329 0.718 20 0 CCADLP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000579211204 390151163 /nfs/dbraw/zinc/15/11/63/390151163.db2.gz XCBOXCZPQBQIRT-OLZOCXBDSA-N 3 2 285.436 0.001 20 0 CCADLP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000579211204 390151165 /nfs/dbraw/zinc/15/11/65/390151165.db2.gz XCBOXCZPQBQIRT-OLZOCXBDSA-N 3 2 285.436 0.001 20 0 CCADLP Cc1ccsc1[C@H](CO)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000494657678 390189442 /nfs/dbraw/zinc/18/94/42/390189442.db2.gz UZJLCIKGCJIGCU-LBPRGKRZSA-N 2 2 297.424 0.454 20 0 CCADLP CC[C@H](O)CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000644161213 390152713 /nfs/dbraw/zinc/15/27/13/390152713.db2.gz BIHHPVHZSZZXFR-OCCSQVGLSA-N 2 2 298.431 0.225 20 0 CCADLP CC[C@H](O)CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000644161213 390152714 /nfs/dbraw/zinc/15/27/14/390152714.db2.gz BIHHPVHZSZZXFR-OCCSQVGLSA-N 2 2 298.431 0.225 20 0 CCADLP COCCN1CC[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000494391110 390169945 /nfs/dbraw/zinc/16/99/45/390169945.db2.gz JBOMBLPKSSJMFX-STQMWFEESA-N 2 2 264.373 0.508 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C[NH+]1CCOCC1 ZINC000647786847 390171557 /nfs/dbraw/zinc/17/15/57/390171557.db2.gz ZVODHZYAVSFCDF-KLHDSHLOSA-N 3 2 281.444 0.932 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1CNc1nc[nH+]c2c1OCCN2 ZINC000647868438 390199857 /nfs/dbraw/zinc/19/98/57/390199857.db2.gz VQAAMTZNCKGHGX-NSHDSACASA-N 2 2 277.372 0.989 20 0 CCADLP CC[N@H+]1CCCC[C@H]1CNc1nc[nH+]c2c1OCCN2 ZINC000647868438 390199859 /nfs/dbraw/zinc/19/98/59/390199859.db2.gz VQAAMTZNCKGHGX-NSHDSACASA-N 2 2 277.372 0.989 20 0 CCADLP O=C(N1CCCCC1)N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647874445 390202466 /nfs/dbraw/zinc/20/24/66/390202466.db2.gz WPPSDNCOZBAVJF-CQSZACIVSA-N 2 2 280.416 0.819 20 0 CCADLP C[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)S(C)(=O)=O ZINC000539296155 390203897 /nfs/dbraw/zinc/20/38/97/390203897.db2.gz XJJUEIUKPNUEHW-NSHDSACASA-N 2 2 274.430 0.884 20 0 CCADLP NC(=O)[C@@H]1c2ccccc2CC[N@H+]1C[C@H]1CC[NH2+]C1 ZINC000647882715 390206626 /nfs/dbraw/zinc/20/66/26/390206626.db2.gz UZMDSDJOJJKRJC-FZMZJTMJSA-N 2 2 259.353 0.681 20 0 CCADLP NC(=O)[C@@H]1c2ccccc2CC[N@@H+]1C[C@H]1CC[NH2+]C1 ZINC000647882715 390206627 /nfs/dbraw/zinc/20/66/27/390206627.db2.gz UZMDSDJOJJKRJC-FZMZJTMJSA-N 2 2 259.353 0.681 20 0 CCADLP C[N@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000647888085 390208437 /nfs/dbraw/zinc/20/84/37/390208437.db2.gz KBKZBIMZPBTJSZ-FRRDWIJNSA-N 2 2 274.430 0.884 20 0 CCADLP C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000647888085 390208438 /nfs/dbraw/zinc/20/84/38/390208438.db2.gz KBKZBIMZPBTJSZ-FRRDWIJNSA-N 2 2 274.430 0.884 20 0 CCADLP C[C@H]1C[N@H+](CCOCC[NH3+])C[C@@H](C(F)(F)F)O1 ZINC000647889291 390208685 /nfs/dbraw/zinc/20/86/85/390208685.db2.gz CFXFRSXEPRYIQI-IUCAKERBSA-N 2 2 256.268 0.613 20 0 CCADLP C[C@H]1C[N@@H+](CCOCC[NH3+])C[C@@H](C(F)(F)F)O1 ZINC000647889291 390208688 /nfs/dbraw/zinc/20/86/88/390208688.db2.gz CFXFRSXEPRYIQI-IUCAKERBSA-N 2 2 256.268 0.613 20 0 CCADLP O[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(F)(F)F ZINC000579824838 390211569 /nfs/dbraw/zinc/21/15/69/390211569.db2.gz WJWQHOYODGCMRD-UTUOFQBUSA-N 2 2 296.333 0.877 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]C1CCN(C(=O)OC)CC1 ZINC000495377038 390238770 /nfs/dbraw/zinc/23/87/70/390238770.db2.gz KOWDDVJXGJKJOJ-UHFFFAOYSA-N 2 2 273.377 0.121 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]C1CCN(C(=O)OC)CC1 ZINC000495377038 390238773 /nfs/dbraw/zinc/23/87/73/390238773.db2.gz KOWDDVJXGJKJOJ-UHFFFAOYSA-N 2 2 273.377 0.121 20 0 CCADLP c1cc(CN2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)ccn1 ZINC000647988093 390240060 /nfs/dbraw/zinc/24/00/60/390240060.db2.gz NNXFXYBEMFBCSG-OAHLLOKOSA-N 2 2 260.385 0.809 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]CC(C)(C)N1CC[NH+](C)CC1)C1CC1 ZINC000644562483 390254175 /nfs/dbraw/zinc/25/41/75/390254175.db2.gz UUPUWUJCLPOIHJ-OAHLLOKOSA-N 3 2 298.475 0.057 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]CC(C)(C)N1CC[NH+](C)CC1)C1CC1 ZINC000644562483 390254178 /nfs/dbraw/zinc/25/41/78/390254178.db2.gz UUPUWUJCLPOIHJ-OAHLLOKOSA-N 3 2 298.475 0.057 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+]CC[N@@H+](C)C2CC2)no1 ZINC000582117183 390260895 /nfs/dbraw/zinc/26/08/95/390260895.db2.gz HFGSYTSGELCKCW-UHFFFAOYSA-N 2 2 266.345 0.417 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+]CC[N@H+](C)C2CC2)no1 ZINC000582117183 390260900 /nfs/dbraw/zinc/26/09/00/390260900.db2.gz HFGSYTSGELCKCW-UHFFFAOYSA-N 2 2 266.345 0.417 20 0 CCADLP CCSCC[C@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593910582 390367358 /nfs/dbraw/zinc/36/73/58/390367358.db2.gz XYIDSJJBSLGTFY-WDEREUQCSA-N 2 2 261.435 0.913 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCO[C@@H](C[NH3+])C2)CC1 ZINC000583813019 390313871 /nfs/dbraw/zinc/31/38/71/390313871.db2.gz KQHDBUIPFTVJFM-HNNXBMFYSA-N 3 2 284.448 0.062 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000583820251 390315108 /nfs/dbraw/zinc/31/51/08/390315108.db2.gz UMHWTSXEWHWNNB-XBFCOCLRSA-N 2 2 256.390 0.798 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000583820251 390315109 /nfs/dbraw/zinc/31/51/09/390315109.db2.gz UMHWTSXEWHWNNB-XBFCOCLRSA-N 2 2 256.390 0.798 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000583820251 390315110 /nfs/dbraw/zinc/31/51/10/390315110.db2.gz UMHWTSXEWHWNNB-XBFCOCLRSA-N 2 2 256.390 0.798 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000583820251 390315111 /nfs/dbraw/zinc/31/51/11/390315111.db2.gz UMHWTSXEWHWNNB-XBFCOCLRSA-N 2 2 256.390 0.798 20 0 CCADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000584468245 390347224 /nfs/dbraw/zinc/34/72/24/390347224.db2.gz GSHWBFQESPUTPP-RDBSUJKOSA-N 2 2 298.431 0.618 20 0 CCADLP COC(=O)CCC[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000584477527 390348432 /nfs/dbraw/zinc/34/84/32/390348432.db2.gz KFWUYTBUTZJWCA-UHFFFAOYSA-N 2 2 272.389 0.765 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC(C)(C)C3)C[C@@H]21 ZINC000584479756 390349087 /nfs/dbraw/zinc/34/90/87/390349087.db2.gz GAUCLSGRYHXPHN-NEPJUHHUSA-N 2 2 251.374 0.491 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CC(C)(C)C3)C[C@@H]21 ZINC000584479756 390349089 /nfs/dbraw/zinc/34/90/89/390349089.db2.gz GAUCLSGRYHXPHN-NEPJUHHUSA-N 2 2 251.374 0.491 20 0 CCADLP Cc1ncc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c(=O)[nH]1 ZINC000584523994 390351899 /nfs/dbraw/zinc/35/18/99/390351899.db2.gz UGCUUNCAIPEWPA-CHWSQXEVSA-N 2 2 278.356 0.347 20 0 CCADLP Cc1ncc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c(=O)[nH]1 ZINC000584523996 390352155 /nfs/dbraw/zinc/35/21/55/390352155.db2.gz UGCUUNCAIPEWPA-QWHCGFSZSA-N 2 2 278.356 0.347 20 0 CCADLP O[C@H](CNC[C@H]1CCCC[N@@H+]1C1CC1)C[NH+]1CCOCC1 ZINC000584525613 390352351 /nfs/dbraw/zinc/35/23/51/390352351.db2.gz SSSKGSSQCIEHPD-HZPDHXFCSA-N 2 2 297.443 0.286 20 0 CCADLP O[C@H](CNC[C@H]1CCCC[N@H+]1C1CC1)C[NH+]1CCOCC1 ZINC000584525613 390352358 /nfs/dbraw/zinc/35/23/58/390352358.db2.gz SSSKGSSQCIEHPD-HZPDHXFCSA-N 2 2 297.443 0.286 20 0 CCADLP [NH3+][C@H]1C[C@@H](C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000584532438 390354167 /nfs/dbraw/zinc/35/41/67/390354167.db2.gz OXEWOGGDPURRER-FRRDWIJNSA-N 2 2 267.373 0.047 20 0 CCADLP Cc1nc(N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c(C)c(C)[nH+]1 ZINC000645360522 390415320 /nfs/dbraw/zinc/41/53/20/390415320.db2.gz KFGOBZAJILXVLS-LBPRGKRZSA-N 2 2 291.399 0.958 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)Cc1c[nH+]cn1C ZINC000554329117 390425026 /nfs/dbraw/zinc/42/50/26/390425026.db2.gz QTFFYJLYQIJJRA-UHFFFAOYSA-N 2 2 268.361 0.047 20 0 CCADLP COCC[N@@H+](C)CCCNC(=O)Cc1c[nH+]cn1C ZINC000554329117 390425027 /nfs/dbraw/zinc/42/50/27/390425027.db2.gz QTFFYJLYQIJJRA-UHFFFAOYSA-N 2 2 268.361 0.047 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)Cc1c[nH+]cn1C ZINC000554611142 390436818 /nfs/dbraw/zinc/43/68/18/390436818.db2.gz CUEGNQNROUMHRW-LBPRGKRZSA-N 2 2 280.372 0.142 20 0 CCADLP CCO[C@@H]1COCC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)CC ZINC000565369997 390508265 /nfs/dbraw/zinc/50/82/65/390508265.db2.gz BCEUIZZNJGJYQI-YNEHKIRRSA-N 2 2 260.378 0.083 20 0 CCADLP CCO[C@@H]1COCC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)CC ZINC000565369997 390508267 /nfs/dbraw/zinc/50/82/67/390508267.db2.gz BCEUIZZNJGJYQI-YNEHKIRRSA-N 2 2 260.378 0.083 20 0 CCADLP C[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2ccon2)C[C@H]1C[NH3+] ZINC000643440997 390447239 /nfs/dbraw/zinc/44/72/39/390447239.db2.gz YETWGLUHVVDPJD-OUAUKWLOSA-N 2 2 266.345 0.340 20 0 CCADLP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2ccon2)C[C@H]1C[NH3+] ZINC000643440997 390447241 /nfs/dbraw/zinc/44/72/41/390447241.db2.gz YETWGLUHVVDPJD-OUAUKWLOSA-N 2 2 266.345 0.340 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000643472264 390451680 /nfs/dbraw/zinc/45/16/80/390451680.db2.gz OJCOZULRJABKKD-RRFJBIMHSA-N 3 2 294.443 0.271 20 0 CCADLP CCOCC[C@H](O)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000519596509 390515049 /nfs/dbraw/zinc/51/50/49/390515049.db2.gz JPGLJLDCIYZTKR-NEPJUHHUSA-N 2 2 253.346 0.575 20 0 CCADLP Cc1ccnc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000515374449 390475251 /nfs/dbraw/zinc/47/52/51/390475251.db2.gz LMHCEGVMWOTAQV-LLVKDONJSA-N 2 2 263.345 0.497 20 0 CCADLP Cc1ccnc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000515374449 390475257 /nfs/dbraw/zinc/47/52/57/390475257.db2.gz LMHCEGVMWOTAQV-LLVKDONJSA-N 2 2 263.345 0.497 20 0 CCADLP CO[C@@H]1C[C@@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C12CCC2 ZINC000515523286 390476597 /nfs/dbraw/zinc/47/65/97/390476597.db2.gz XSQIJXHQSLQKKR-JHJVBQTASA-N 2 2 296.415 0.228 20 0 CCADLP CO[C@@H]1C[C@@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C12CCC2 ZINC000515523286 390476601 /nfs/dbraw/zinc/47/66/01/390476601.db2.gz XSQIJXHQSLQKKR-JHJVBQTASA-N 2 2 296.415 0.228 20 0 CCADLP CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000649211876 390524296 /nfs/dbraw/zinc/52/42/96/390524296.db2.gz FBVNMQWHGPDSOV-TZMCWYRMSA-N 2 2 292.383 0.282 20 0 CCADLP CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000649211876 390524302 /nfs/dbraw/zinc/52/43/02/390524302.db2.gz FBVNMQWHGPDSOV-TZMCWYRMSA-N 2 2 292.383 0.282 20 0 CCADLP C[N@@H+]1CCN(Cc2cnn(CC(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000565598528 390527839 /nfs/dbraw/zinc/52/78/39/390527839.db2.gz SBJZPYWBTQSSOW-LLVKDONJSA-N 2 2 291.321 0.520 20 0 CCADLP C[N@H+]1CCN(Cc2cnn(CC(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000565598528 390527841 /nfs/dbraw/zinc/52/78/41/390527841.db2.gz SBJZPYWBTQSSOW-LLVKDONJSA-N 2 2 291.321 0.520 20 0 CCADLP C[C@H]1CN(CCCc2c[nH+]cn2C)CC[N@@H+]1CCO ZINC000565782044 390545530 /nfs/dbraw/zinc/54/55/30/390545530.db2.gz BWNRPLYUHKGYLQ-ZDUSSCGKSA-N 2 2 266.389 0.351 20 0 CCADLP C[C@H]1CN(CCCc2c[nH+]cn2C)CC[N@H+]1CCO ZINC000565782044 390545535 /nfs/dbraw/zinc/54/55/35/390545535.db2.gz BWNRPLYUHKGYLQ-ZDUSSCGKSA-N 2 2 266.389 0.351 20 0 CCADLP C[C@H]1C[N@H+](CCCc2c[nH+]cn2C)CCN1CCO ZINC000565782044 390545538 /nfs/dbraw/zinc/54/55/38/390545538.db2.gz BWNRPLYUHKGYLQ-ZDUSSCGKSA-N 2 2 266.389 0.351 20 0 CCADLP C[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)CCN1CCO ZINC000565782044 390545544 /nfs/dbraw/zinc/54/55/44/390545544.db2.gz BWNRPLYUHKGYLQ-ZDUSSCGKSA-N 2 2 266.389 0.351 20 0 CCADLP Nc1cc[nH+]cc1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000649278806 390545914 /nfs/dbraw/zinc/54/59/14/390545914.db2.gz CSMBQVXNMIOOMQ-LBPRGKRZSA-N 2 2 290.367 0.431 20 0 CCADLP CC(=O)N1CC[C@]([NH3+])(C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000649334478 390590395 /nfs/dbraw/zinc/59/03/95/390590395.db2.gz LIEZQOJJRVZFLG-CQSZACIVSA-N 2 2 287.323 0.223 20 0 CCADLP C[NH2+]CC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000649285739 390550902 /nfs/dbraw/zinc/55/09/02/390550902.db2.gz QLJMGXWOBXVCGQ-UHFFFAOYSA-N 2 2 290.367 0.232 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000645977710 390556240 /nfs/dbraw/zinc/55/62/40/390556240.db2.gz JIYJUJKYMABQMD-TZMCWYRMSA-N 3 2 280.416 0.023 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000645977710 390556243 /nfs/dbraw/zinc/55/62/43/390556243.db2.gz JIYJUJKYMABQMD-TZMCWYRMSA-N 3 2 280.416 0.023 20 0 CCADLP Cc1nc(N2CCN(C(=O)CC(F)(F)C[NH3+])CC2)cc[nH+]1 ZINC000520245933 390562218 /nfs/dbraw/zinc/56/22/18/390562218.db2.gz YYKAZWLEOUFSKU-UHFFFAOYSA-N 2 2 299.325 0.418 20 0 CCADLP CCOc1cccc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])n1 ZINC000520406571 390572020 /nfs/dbraw/zinc/57/20/20/390572020.db2.gz LJFYQLRRCAJWNG-ZDUSSCGKSA-N 2 2 264.373 0.555 20 0 CCADLP CCOc1cccc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])n1 ZINC000520406571 390572026 /nfs/dbraw/zinc/57/20/26/390572026.db2.gz LJFYQLRRCAJWNG-ZDUSSCGKSA-N 2 2 264.373 0.555 20 0 CCADLP COc1cccnc1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000566088857 390575743 /nfs/dbraw/zinc/57/57/43/390575743.db2.gz CYNJGXPTYYTHSA-GJZGRUSLSA-N 2 2 277.368 0.947 20 0 CCADLP O=c1c2ccccc2ncn1CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000522002674 390619269 /nfs/dbraw/zinc/61/92/69/390619269.db2.gz YVZKMXDXJKEHGW-KBPBESRZSA-N 2 2 298.390 0.938 20 0 CCADLP O=c1c2ccccc2ncn1CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000522002674 390619274 /nfs/dbraw/zinc/61/92/74/390619274.db2.gz YVZKMXDXJKEHGW-KBPBESRZSA-N 2 2 298.390 0.938 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3cnc(C4CC4)s3)CCN2C1=O ZINC000566491697 390622672 /nfs/dbraw/zinc/62/26/72/390622672.db2.gz WTUFYOIDVKOFEP-CMPLNLGQSA-N 2 2 292.408 0.764 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3cnc(C4CC4)s3)CCN2C1=O ZINC000566491697 390622676 /nfs/dbraw/zinc/62/26/76/390622676.db2.gz WTUFYOIDVKOFEP-CMPLNLGQSA-N 2 2 292.408 0.764 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1CNC[C@H](O)C[NH+]1CCOCC1 ZINC000566969966 390661729 /nfs/dbraw/zinc/66/17/29/390661729.db2.gz USEJMTMWTCPRDR-GJZGRUSLSA-N 2 2 285.432 0.144 20 0 CCADLP CCC[N@H+]1CCC[C@H]1CNC[C@H](O)C[NH+]1CCOCC1 ZINC000566969966 390661731 /nfs/dbraw/zinc/66/17/31/390661731.db2.gz USEJMTMWTCPRDR-GJZGRUSLSA-N 2 2 285.432 0.144 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)CN1CCOCC1 ZINC000566969966 390661733 /nfs/dbraw/zinc/66/17/33/390661733.db2.gz USEJMTMWTCPRDR-GJZGRUSLSA-N 2 2 285.432 0.144 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)CN1CCOCC1 ZINC000566969966 390661736 /nfs/dbraw/zinc/66/17/36/390661736.db2.gz USEJMTMWTCPRDR-GJZGRUSLSA-N 2 2 285.432 0.144 20 0 CCADLP COc1cc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])ccn1 ZINC000566608883 390632546 /nfs/dbraw/zinc/63/25/46/390632546.db2.gz ZKSRXYRDCXQANY-LLVKDONJSA-N 2 2 279.344 0.197 20 0 CCADLP COc1cc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])ccn1 ZINC000566608883 390632547 /nfs/dbraw/zinc/63/25/47/390632547.db2.gz ZKSRXYRDCXQANY-LLVKDONJSA-N 2 2 279.344 0.197 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)N[C@H](C)C[C@H](C)[NH3+])CC2 ZINC000646214425 390637445 /nfs/dbraw/zinc/63/74/45/390637445.db2.gz CDCMPXVIUJHTKE-VHSXEESVSA-N 2 2 265.361 0.843 20 0 CCADLP C[NH2+]CCCC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000646265044 390653832 /nfs/dbraw/zinc/65/38/32/390653832.db2.gz KBTFVYHLAFBJIK-GFCCVEGCSA-N 2 2 262.357 0.776 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649339335 390593279 /nfs/dbraw/zinc/59/32/79/390593279.db2.gz NXSFFFZXFYSVTE-MCIONIFRSA-N 2 2 281.400 0.306 20 0 CCADLP Cn1cc(-c2ncc(C[NH2+]CCn3cc[nH+]c3)cn2)cn1 ZINC000527514710 390707015 /nfs/dbraw/zinc/70/70/15/390707015.db2.gz OJPHIJBTWUGAQW-UHFFFAOYSA-N 2 2 283.339 0.863 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000568194860 390712968 /nfs/dbraw/zinc/71/29/68/390712968.db2.gz VLHQMXJNXCMEDV-GHMZBOCLSA-N 2 2 261.329 0.990 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccncc2Cl)C1 ZINC000527692219 390719305 /nfs/dbraw/zinc/71/93/05/390719305.db2.gz MQOSGYUIQUQCGT-GFCCVEGCSA-N 2 2 255.749 0.891 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccncc2Cl)C1 ZINC000527692219 390719307 /nfs/dbraw/zinc/71/93/07/390719307.db2.gz MQOSGYUIQUQCGT-GFCCVEGCSA-N 2 2 255.749 0.891 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC000570860626 390721881 /nfs/dbraw/zinc/72/18/81/390721881.db2.gz ZGLBFLMMVNSXAX-LLVKDONJSA-N 2 2 263.345 0.235 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC000570860626 390721883 /nfs/dbraw/zinc/72/18/83/390721883.db2.gz ZGLBFLMMVNSXAX-LLVKDONJSA-N 2 2 263.345 0.235 20 0 CCADLP C[C@H](NC(=O)CC(C)(C)C)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000646835525 390726231 /nfs/dbraw/zinc/72/62/31/390726231.db2.gz XVAUADSBLHPGBU-NWDGAFQWSA-N 2 2 298.431 0.029 20 0 CCADLP C[C@H](NC(=O)CC(C)(C)C)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000646835525 390726233 /nfs/dbraw/zinc/72/62/33/390726233.db2.gz XVAUADSBLHPGBU-NWDGAFQWSA-N 2 2 298.431 0.029 20 0 CCADLP Cc1ncncc1[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000566983883 390664241 /nfs/dbraw/zinc/66/42/41/390664241.db2.gz STOXILDHYHFGMW-ZWNOBZJWSA-N 2 2 250.346 0.502 20 0 CCADLP Cc1ncncc1[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000566983883 390664242 /nfs/dbraw/zinc/66/42/42/390664242.db2.gz STOXILDHYHFGMW-ZWNOBZJWSA-N 2 2 250.346 0.502 20 0 CCADLP Cc1c[nH+]c(C)nc1NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000567061693 390669292 /nfs/dbraw/zinc/66/92/92/390669292.db2.gz BUOPRCCMWOTTRP-UHFFFAOYSA-N 2 2 277.416 0.953 20 0 CCADLP Cc1c[nH+]c(C)nc1NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000567061693 390669294 /nfs/dbraw/zinc/66/92/94/390669294.db2.gz BUOPRCCMWOTTRP-UHFFFAOYSA-N 2 2 277.416 0.953 20 0 CCADLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCc1[nH]cc[nH+]1 ZINC000526995869 390688251 /nfs/dbraw/zinc/68/82/51/390688251.db2.gz PSOYAWDIVPWIDG-UHFFFAOYSA-N 2 2 299.338 0.876 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@H](O)COCc1cccs1 ZINC000567353047 390694243 /nfs/dbraw/zinc/69/42/43/390694243.db2.gz YGUXQKMOFBFQDF-NEPJUHHUSA-N 2 2 288.413 0.138 20 0 CCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000571803291 390753928 /nfs/dbraw/zinc/75/39/28/390753928.db2.gz YDKHFUYYOKIAIM-DOMZBBRYSA-N 2 2 297.399 0.224 20 0 CCADLP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000647058366 390767453 /nfs/dbraw/zinc/76/74/53/390767453.db2.gz DIKDJSIXMJTZCX-OBJOEFQTSA-N 2 2 299.390 0.446 20 0 CCADLP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000647058366 390767456 /nfs/dbraw/zinc/76/74/56/390767456.db2.gz DIKDJSIXMJTZCX-OBJOEFQTSA-N 2 2 299.390 0.446 20 0 CCADLP CC(C)(O)C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528726519 390771350 /nfs/dbraw/zinc/77/13/50/390771350.db2.gz CYPVTTDDWKQRNS-UHFFFAOYSA-N 2 2 256.390 0.944 20 0 CCADLP COCC[NH2+]CC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000647098743 390775272 /nfs/dbraw/zinc/77/52/72/390775272.db2.gz ZJCJWNSERBWWEA-UHFFFAOYSA-N 2 2 290.367 0.537 20 0 CCADLP CSC[C@H](O)C[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000572322435 390778162 /nfs/dbraw/zinc/77/81/62/390778162.db2.gz AOTARYHRZGSTCV-TZMCWYRMSA-N 2 2 288.457 0.895 20 0 CCADLP CSC[C@H](O)C[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000572322435 390778164 /nfs/dbraw/zinc/77/81/64/390778164.db2.gz AOTARYHRZGSTCV-TZMCWYRMSA-N 2 2 288.457 0.895 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O)C1CC1 ZINC000528789665 390779020 /nfs/dbraw/zinc/77/90/20/390779020.db2.gz RUMNASXUKDLDSF-VYGYDYRJSA-N 2 2 286.441 0.427 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O)C1CC1 ZINC000528789665 390779023 /nfs/dbraw/zinc/77/90/23/390779023.db2.gz RUMNASXUKDLDSF-VYGYDYRJSA-N 2 2 286.441 0.427 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O)C1CC1 ZINC000528789665 390779024 /nfs/dbraw/zinc/77/90/24/390779024.db2.gz RUMNASXUKDLDSF-VYGYDYRJSA-N 2 2 286.441 0.427 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O)C1CC1 ZINC000528789665 390779027 /nfs/dbraw/zinc/77/90/27/390779027.db2.gz RUMNASXUKDLDSF-VYGYDYRJSA-N 2 2 286.441 0.427 20 0 CCADLP C[C@H](C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1)[NH+]1CC(C)C1 ZINC000572422308 390783083 /nfs/dbraw/zinc/78/30/83/390783083.db2.gz XZARQIHIYHQKRD-UKRRQHHQSA-N 2 2 288.395 0.895 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000572735611 390800723 /nfs/dbraw/zinc/80/07/23/390800723.db2.gz ZZBMYHGNVWODDJ-NTZNESFSSA-N 2 2 262.357 0.751 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000572735611 390800725 /nfs/dbraw/zinc/80/07/25/390800725.db2.gz ZZBMYHGNVWODDJ-NTZNESFSSA-N 2 2 262.357 0.751 20 0 CCADLP C[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)[C@@H]2C1 ZINC000646914461 390739345 /nfs/dbraw/zinc/73/93/45/390739345.db2.gz YCRXLGCWYMPKCF-WDEREUQCSA-N 2 2 262.357 0.850 20 0 CCADLP C[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)[C@@H]2C1 ZINC000646914461 390739347 /nfs/dbraw/zinc/73/93/47/390739347.db2.gz YCRXLGCWYMPKCF-WDEREUQCSA-N 2 2 262.357 0.850 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000646918365 390740928 /nfs/dbraw/zinc/74/09/28/390740928.db2.gz TVVMOGQYCUZCRG-WCQYABFASA-N 2 2 262.357 0.515 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000646918365 390740929 /nfs/dbraw/zinc/74/09/29/390740929.db2.gz TVVMOGQYCUZCRG-WCQYABFASA-N 2 2 262.357 0.515 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCc2cccc(O)c2)[C@H](C[NH3+])C1 ZINC000571656161 390747190 /nfs/dbraw/zinc/74/71/90/390747190.db2.gz NQTIAHVSGCQDJN-GFCCVEGCSA-N 2 2 278.356 0.177 20 0 CCADLP C[N@H+]1CCN(C(=O)NCc2cccc(O)c2)[C@H](C[NH3+])C1 ZINC000571656161 390747191 /nfs/dbraw/zinc/74/71/91/390747191.db2.gz NQTIAHVSGCQDJN-GFCCVEGCSA-N 2 2 278.356 0.177 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000578246301 390873622 /nfs/dbraw/zinc/87/36/22/390873622.db2.gz NBJSAGQXBGLFOO-CYBMUJFWSA-N 2 2 291.399 0.396 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000578246301 390873623 /nfs/dbraw/zinc/87/36/23/390873623.db2.gz NBJSAGQXBGLFOO-CYBMUJFWSA-N 2 2 291.399 0.396 20 0 CCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000529328695 390809607 /nfs/dbraw/zinc/80/96/07/390809607.db2.gz VXXGOEJWRUGKSQ-SMDDNHRTSA-N 2 2 291.399 0.906 20 0 CCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000529328695 390809609 /nfs/dbraw/zinc/80/96/09/390809609.db2.gz VXXGOEJWRUGKSQ-SMDDNHRTSA-N 2 2 291.399 0.906 20 0 CCADLP C[N@@H+]1CCN(Cc2ccc(-n3cncn3)cc2)[C@H](C[NH3+])C1 ZINC000572879744 390809807 /nfs/dbraw/zinc/80/98/07/390809807.db2.gz UVHWKOZJXRGAQI-OAHLLOKOSA-N 2 2 286.383 0.342 20 0 CCADLP C[N@H+]1CCN(Cc2ccc(-n3cncn3)cc2)[C@H](C[NH3+])C1 ZINC000572879744 390809810 /nfs/dbraw/zinc/80/98/10/390809810.db2.gz UVHWKOZJXRGAQI-OAHLLOKOSA-N 2 2 286.383 0.342 20 0 CCADLP Cc1c[nH+]c(C)nc1NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000572899755 390811148 /nfs/dbraw/zinc/81/11/48/390811148.db2.gz KBGNDZQNCRRIOX-GFCCVEGCSA-N 2 2 263.389 0.563 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)CCCC[NH3+] ZINC000574914249 390824461 /nfs/dbraw/zinc/82/44/61/390824461.db2.gz FQZYDKXAVREOER-UHFFFAOYSA-N 2 2 250.346 0.893 20 0 CCADLP COCCOc1ccc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000647539303 390837318 /nfs/dbraw/zinc/83/73/18/390837318.db2.gz QBHPKHUHLACIKZ-HNNXBMFYSA-N 2 2 293.411 0.787 20 0 CCADLP COCCOc1ccc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000647539303 390837322 /nfs/dbraw/zinc/83/73/22/390837322.db2.gz QBHPKHUHLACIKZ-HNNXBMFYSA-N 2 2 293.411 0.787 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000528333984 285394198 /nfs/dbraw/zinc/39/41/98/285394198.db2.gz FNBQKIRDWUUNSF-LBPRGKRZSA-N 2 2 266.345 0.028 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000528333984 285394199 /nfs/dbraw/zinc/39/41/99/285394199.db2.gz FNBQKIRDWUUNSF-LBPRGKRZSA-N 2 2 266.345 0.028 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000578519576 390889149 /nfs/dbraw/zinc/88/91/49/390889149.db2.gz AIHFJVIDTFDJOF-ILXRZTDVSA-N 2 2 285.432 0.094 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000578519576 390889151 /nfs/dbraw/zinc/88/91/51/390889151.db2.gz AIHFJVIDTFDJOF-ILXRZTDVSA-N 2 2 285.432 0.094 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000578519576 390889152 /nfs/dbraw/zinc/88/91/52/390889152.db2.gz AIHFJVIDTFDJOF-ILXRZTDVSA-N 2 2 285.432 0.094 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000578519576 390889154 /nfs/dbraw/zinc/88/91/54/390889154.db2.gz AIHFJVIDTFDJOF-ILXRZTDVSA-N 2 2 285.432 0.094 20 0 CCADLP CC[N@H+](C)C[C@H](O)CN1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000578519576 390889155 /nfs/dbraw/zinc/88/91/55/390889155.db2.gz AIHFJVIDTFDJOF-ILXRZTDVSA-N 2 2 285.432 0.094 20 0 CCADLP CC[N@@H+](C)C[C@H](O)CN1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000578519576 390889157 /nfs/dbraw/zinc/88/91/57/390889157.db2.gz AIHFJVIDTFDJOF-ILXRZTDVSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Cn1cc[nH+]c1 ZINC000578827645 390903487 /nfs/dbraw/zinc/90/34/87/390903487.db2.gz DFHPSKJUGYMOCQ-CYBMUJFWSA-N 2 2 279.388 0.025 20 0 CCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)Cn1cc[nH+]c1 ZINC000578827645 390903490 /nfs/dbraw/zinc/90/34/90/390903490.db2.gz DFHPSKJUGYMOCQ-CYBMUJFWSA-N 2 2 279.388 0.025 20 0 CCADLP CSCC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424178308 533602445 /nfs/dbraw/zinc/60/24/45/533602445.db2.gz QYDHFJXNNIRPOF-DTWKUNHWSA-N 2 2 281.372 0.428 20 0 CCADLP C[C@@H](CCCC[NH3+])NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000418116656 533532567 /nfs/dbraw/zinc/53/25/67/533532567.db2.gz QWLRAAFAJZUDAY-ZDUSSCGKSA-N 2 2 298.431 0.668 20 0 CCADLP CC[NH+]1CCN(CC(=O)N2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000341783034 130043669 /nfs/dbraw/zinc/04/36/69/130043669.db2.gz UMCQWHGCSFJVBH-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP CC[NH+]1CCN(CC(=O)N2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000341783034 130043674 /nfs/dbraw/zinc/04/36/74/130043674.db2.gz UMCQWHGCSFJVBH-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000341808259 130070646 /nfs/dbraw/zinc/07/06/46/130070646.db2.gz OUNFQXBGNUMIBY-YNEHKIRRSA-N 2 2 269.389 0.021 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000341808259 130070649 /nfs/dbraw/zinc/07/06/49/130070649.db2.gz OUNFQXBGNUMIBY-YNEHKIRRSA-N 2 2 269.389 0.021 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529331757 285450267 /nfs/dbraw/zinc/45/02/67/285450267.db2.gz PXJPUQHPEMFNCY-WDEREUQCSA-N 2 2 281.360 0.252 20 0 CCADLP [NH3+]C1(C[NH2+]CC(=O)NCc2ccc3c(c2)OCO3)CCC1 ZINC000342137647 130296327 /nfs/dbraw/zinc/29/63/27/130296327.db2.gz PBZZAFPSOTWRHK-UHFFFAOYSA-N 2 2 291.351 0.503 20 0 CCADLP [NH3+]C1(C[NH2+]CC(=O)NCCOc2ccccc2)CCC1 ZINC000342092864 130305889 /nfs/dbraw/zinc/30/58/89/130305889.db2.gz DDEKKOSXVVUYIS-UHFFFAOYSA-N 2 2 277.368 0.653 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000192092023 130368917 /nfs/dbraw/zinc/36/89/17/130368917.db2.gz OHALDIMEXKEQJK-QWRGUYRKSA-N 2 2 260.341 0.976 20 0 CCADLP COc1ccc(C[NH+]2CCN(C(=O)[C@@H](C)[NH3+])CC2)cc1F ZINC000237273651 131019097 /nfs/dbraw/zinc/01/90/97/131019097.db2.gz ZZGFVDBMQHQNGS-LLVKDONJSA-N 2 2 295.358 0.826 20 0 CCADLP C[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000237465449 131034013 /nfs/dbraw/zinc/03/40/13/131034013.db2.gz YXFDNIDVEQOHAZ-OCCSQVGLSA-N 2 2 277.368 0.351 20 0 CCADLP C[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000237465449 131034015 /nfs/dbraw/zinc/03/40/15/131034015.db2.gz YXFDNIDVEQOHAZ-OCCSQVGLSA-N 2 2 277.368 0.351 20 0 CCADLP C[C@@H](CNC(=O)[C@H]([NH3+])Cc1ccccc1)[NH+]1CCOCC1 ZINC000237591408 131044607 /nfs/dbraw/zinc/04/46/07/131044607.db2.gz RGGLFWGOSDVTPU-DZGCQCFKSA-N 2 2 291.395 0.393 20 0 CCADLP [NH3+]C[C@H]1CCCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000238053940 131074451 /nfs/dbraw/zinc/07/44/51/131074451.db2.gz KPLLTUXKXXWZHN-GFCCVEGCSA-N 2 2 271.324 0.831 20 0 CCADLP COc1cc[nH+]cc1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000262122869 131193072 /nfs/dbraw/zinc/19/30/72/131193072.db2.gz WIDAHGCIRIRYLE-KCJUWKMLSA-N 2 2 251.286 0.535 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262462838 131223016 /nfs/dbraw/zinc/22/30/16/131223016.db2.gz XKHRLEDNCIPVEG-SMDDNHRTSA-N 2 2 262.357 0.816 20 0 CCADLP C[C@H](C[NH3+])C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000262580245 131236112 /nfs/dbraw/zinc/23/61/12/131236112.db2.gz UIVVBOBYSOUKHF-UKRRQHHQSA-N 2 2 291.395 0.771 20 0 CCADLP [NH3+]CC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000262663077 131248575 /nfs/dbraw/zinc/24/85/75/131248575.db2.gz ZMWDFXDGPODVQW-UHFFFAOYSA-N 2 2 296.802 0.537 20 0 CCADLP COC1([C@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)CCC1 ZINC000657880599 413071374 /nfs/dbraw/zinc/07/13/74/413071374.db2.gz PWIPPFWYZAIECD-STQMWFEESA-N 2 2 255.406 0.779 20 0 CCADLP COC1([C@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)CCC1 ZINC000657880599 413071378 /nfs/dbraw/zinc/07/13/78/413071378.db2.gz PWIPPFWYZAIECD-STQMWFEESA-N 2 2 255.406 0.779 20 0 CCADLP C[NH+](C)C1(CNC(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000416307405 289043975 /nfs/dbraw/zinc/04/39/75/289043975.db2.gz KUAKRKPWNRWLHM-UHFFFAOYSA-N 2 2 269.389 0.308 20 0 CCADLP [NH3+]C1(C(=O)N2CC[NH+](Cc3ccccn3)CC2)CCCC1 ZINC000037802809 397385920 /nfs/dbraw/zinc/38/59/20/397385920.db2.gz DKSOFHORBXAVKN-UHFFFAOYSA-N 2 2 288.395 0.997 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000353457534 397468319 /nfs/dbraw/zinc/46/83/19/397468319.db2.gz HAQDHAQXGQDTMH-VHDGCEQUSA-N 2 2 295.427 0.459 20 0 CCADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[NH+]2CCC1CC2 ZINC000356980758 144047653 /nfs/dbraw/zinc/04/76/53/144047653.db2.gz NEYQEMVPEJLKPP-GFCCVEGCSA-N 2 2 274.368 0.752 20 0 CCADLP Cc1ccc(C(=O)N2CC[NH+](CCOCC[NH3+])CC2)s1 ZINC000357090415 144059204 /nfs/dbraw/zinc/05/92/04/144059204.db2.gz VMIGFWFHRWZBKZ-UHFFFAOYSA-N 2 2 297.424 0.790 20 0 CCADLP CC(C)c1[nH+]c2c(n1C)CCN(CCOCC[NH3+])C2 ZINC000357094528 144059916 /nfs/dbraw/zinc/05/99/16/144059916.db2.gz YQBZAOVBEXBQNN-UHFFFAOYSA-N 2 2 266.389 0.877 20 0 CCADLP CC(C)c1nc2c(n1C)CC[N@H+](CCOCC[NH3+])C2 ZINC000357094528 144059918 /nfs/dbraw/zinc/05/99/18/144059918.db2.gz YQBZAOVBEXBQNN-UHFFFAOYSA-N 2 2 266.389 0.877 20 0 CCADLP CC(C)c1nc2c(n1C)CC[N@@H+](CCOCC[NH3+])C2 ZINC000357094528 144059919 /nfs/dbraw/zinc/05/99/19/144059919.db2.gz YQBZAOVBEXBQNN-UHFFFAOYSA-N 2 2 266.389 0.877 20 0 CCADLP C[C@H](C(=O)N1CCCC[C@H]1CC[NH3+])[NH+]1CCOCC1 ZINC000357362789 144085153 /nfs/dbraw/zinc/08/51/53/144085153.db2.gz HJAJMQFQJLUNAP-OLZOCXBDSA-N 2 2 269.389 0.437 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000360102955 397472940 /nfs/dbraw/zinc/47/29/40/397472940.db2.gz FYYIOMAAODNCRW-LLVKDONJSA-N 2 2 265.361 0.513 20 0 CCADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000357938340 144135199 /nfs/dbraw/zinc/13/51/99/144135199.db2.gz XYKGEEPSNGAPQJ-STQMWFEESA-N 2 2 272.308 0.534 20 0 CCADLP COc1cccc(C(=O)NCC[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000358019862 144142624 /nfs/dbraw/zinc/14/26/24/144142624.db2.gz DTIFRPQEHNICAT-SWLSCSKDSA-N 2 2 291.395 0.965 20 0 CCADLP COc1cccc(C(=O)NCC[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000358019862 144142625 /nfs/dbraw/zinc/14/26/25/144142625.db2.gz DTIFRPQEHNICAT-SWLSCSKDSA-N 2 2 291.395 0.965 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000358505325 144157012 /nfs/dbraw/zinc/15/70/12/144157012.db2.gz SIBZCCKLAJLWJI-GFCCVEGCSA-N 2 2 267.377 0.865 20 0 CCADLP CO[C@H](C[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1)C1CC1 ZINC000381104205 397484580 /nfs/dbraw/zinc/48/45/80/397484580.db2.gz HMYGIZQLRYBVCQ-CQSZACIVSA-N 2 2 283.416 0.554 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@H]2CCCCC[NH2+]2)CCO1 ZINC000368738749 144242188 /nfs/dbraw/zinc/24/21/88/144242188.db2.gz BYXXGGLZRBIICW-CYBMUJFWSA-N 2 2 283.416 0.746 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@H]2CCCCC[NH2+]2)CCO1 ZINC000368738749 144242190 /nfs/dbraw/zinc/24/21/90/144242190.db2.gz BYXXGGLZRBIICW-CYBMUJFWSA-N 2 2 283.416 0.746 20 0 CCADLP COCc1ccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])o1 ZINC000382502527 397491008 /nfs/dbraw/zinc/49/10/08/397491008.db2.gz SSWPMUNLLCMGCP-LLVKDONJSA-N 2 2 253.346 0.501 20 0 CCADLP COCc1ccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])o1 ZINC000382502527 397491010 /nfs/dbraw/zinc/49/10/10/397491010.db2.gz SSWPMUNLLCMGCP-LLVKDONJSA-N 2 2 253.346 0.501 20 0 CCADLP CC[N@H+](C)CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000369664530 144276087 /nfs/dbraw/zinc/27/60/87/144276087.db2.gz MOKYSCNYRXUWJI-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP CC[N@@H+](C)CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000369664530 144276088 /nfs/dbraw/zinc/27/60/88/144276088.db2.gz MOKYSCNYRXUWJI-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+](C)CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000369664530 144276089 /nfs/dbraw/zinc/27/60/89/144276089.db2.gz MOKYSCNYRXUWJI-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+](C)CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000369664530 144276090 /nfs/dbraw/zinc/27/60/90/144276090.db2.gz MOKYSCNYRXUWJI-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000370237160 144295131 /nfs/dbraw/zinc/29/51/31/144295131.db2.gz YBJJMVUCISQMIK-CQSZACIVSA-N 2 2 292.383 0.836 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000370237160 144295132 /nfs/dbraw/zinc/29/51/32/144295132.db2.gz YBJJMVUCISQMIK-CQSZACIVSA-N 2 2 292.383 0.836 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000370237160 144295133 /nfs/dbraw/zinc/29/51/33/144295133.db2.gz YBJJMVUCISQMIK-CQSZACIVSA-N 2 2 292.383 0.836 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000370237160 144295134 /nfs/dbraw/zinc/29/51/34/144295134.db2.gz YBJJMVUCISQMIK-CQSZACIVSA-N 2 2 292.383 0.836 20 0 CCADLP C[NH+](C)C/C=C/C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000372170429 144356145 /nfs/dbraw/zinc/35/61/45/144356145.db2.gz TWHFDEYLAODRGE-FUEXJSSKSA-N 2 2 262.357 0.995 20 0 CCADLP CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1CCn1cc[nH+]c1 ZINC000372921982 144385634 /nfs/dbraw/zinc/38/56/34/144385634.db2.gz FEIWMFHHFUGYSJ-OLZOCXBDSA-N 2 2 281.356 0.926 20 0 CCADLP CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1CCn1cc[nH+]c1 ZINC000372921982 144385635 /nfs/dbraw/zinc/38/56/35/144385635.db2.gz FEIWMFHHFUGYSJ-OLZOCXBDSA-N 2 2 281.356 0.926 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000373206587 144397144 /nfs/dbraw/zinc/39/71/44/144397144.db2.gz WIZVJWDKHVJOJL-RYUDHWBXSA-N 2 2 267.329 0.536 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1CCn1cc[nH+]c1 ZINC000373206587 144397146 /nfs/dbraw/zinc/39/71/46/144397146.db2.gz WIZVJWDKHVJOJL-RYUDHWBXSA-N 2 2 267.329 0.536 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@H](CC)CO1 ZINC000649722992 397660365 /nfs/dbraw/zinc/66/03/65/397660365.db2.gz WZFOBGPXTCAREF-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@H](CC)CO1 ZINC000649722992 397660367 /nfs/dbraw/zinc/66/03/67/397660367.db2.gz WZFOBGPXTCAREF-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@@H]1CO[C@@H](CC)C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000649722990 397660488 /nfs/dbraw/zinc/66/04/88/397660488.db2.gz WZFOBGPXTCAREF-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@@H]1CO[C@@H](CC)C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000649722990 397660490 /nfs/dbraw/zinc/66/04/90/397660490.db2.gz WZFOBGPXTCAREF-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(C2(O)CC2)CC1)C1CC1 ZINC000649670602 397653623 /nfs/dbraw/zinc/65/36/23/397653623.db2.gz SDSZIPGVTZSRSF-CQSZACIVSA-N 2 2 268.401 0.678 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(C2(O)CC2)CC1)C1CC1 ZINC000649670602 397653626 /nfs/dbraw/zinc/65/36/26/397653626.db2.gz SDSZIPGVTZSRSF-CQSZACIVSA-N 2 2 268.401 0.678 20 0 CCADLP CCc1cnc(C[N@H+](C)CCN2CC[NH2+]CC2)o1 ZINC000649409635 397605990 /nfs/dbraw/zinc/60/59/90/397605990.db2.gz GLNQXTSAOGJLCX-UHFFFAOYSA-N 2 2 252.362 0.574 20 0 CCADLP CCc1cnc(C[N@@H+](C)CCN2CC[NH2+]CC2)o1 ZINC000649409635 397605992 /nfs/dbraw/zinc/60/59/92/397605992.db2.gz GLNQXTSAOGJLCX-UHFFFAOYSA-N 2 2 252.362 0.574 20 0 CCADLP CN(Cc1cnn(C)c1)C(=O)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000649420834 397610809 /nfs/dbraw/zinc/61/08/09/397610809.db2.gz ANTQOEIFKWPJHY-UHFFFAOYSA-N 2 2 291.399 0.206 20 0 CCADLP CC(C)O[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000649699092 397657510 /nfs/dbraw/zinc/65/75/10/397657510.db2.gz 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CCADLP CCOCC[NH+]1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000377918199 286084135 /nfs/dbraw/zinc/08/41/35/286084135.db2.gz LNJPJTITNIFXBE-UHFFFAOYSA-N 2 2 295.427 0.796 20 0 CCADLP Cn1cnnc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000549582218 286095024 /nfs/dbraw/zinc/09/50/24/286095024.db2.gz FSIBFSIRCKLMSO-UHFFFAOYSA-N 2 2 293.415 0.749 20 0 CCADLP CS(=O)(=O)C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000550796005 286112124 /nfs/dbraw/zinc/11/21/24/286112124.db2.gz QMBGKYZBHUGKLC-RYUDHWBXSA-N 2 2 283.397 0.611 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H](CO)O2)C[N@@H+]1C1CC1 ZINC000550846893 286113291 /nfs/dbraw/zinc/11/32/91/286113291.db2.gz AGPHMOGEXLPVJD-UNJBNNCHSA-N 2 2 254.374 0.741 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H](CO)O2)C[N@H+]1C1CC1 ZINC000550846893 286113293 /nfs/dbraw/zinc/11/32/93/286113293.db2.gz AGPHMOGEXLPVJD-UNJBNNCHSA-N 2 2 254.374 0.741 20 0 CCADLP C[NH+](C)[C@H](C[NH2+]CCC(=O)NC(N)=O)Cc1ccccc1 ZINC000551389431 286118991 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ZINC000158727276 292357801 /nfs/dbraw/zinc/35/78/01/292357801.db2.gz GRMRYAGSGVHPFC-KGLIPLIRSA-N 2 2 283.416 0.555 20 0 CCADLP COCCCNC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158727276 292357802 /nfs/dbraw/zinc/35/78/02/292357802.db2.gz GRMRYAGSGVHPFC-KGLIPLIRSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@@H]([NH2+]CCS(=O)(=O)NC(C)C)[C@@H]1CCC[NH2+]1 ZINC000422943493 286908388 /nfs/dbraw/zinc/90/83/88/286908388.db2.gz KLZUGXVXNQNJHA-NEPJUHHUSA-N 2 2 277.434 0.434 20 0 CCADLP O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659359277 413443131 /nfs/dbraw/zinc/44/31/31/413443131.db2.gz YDYWTHKRWRJIHK-IJEWVQPXSA-N 2 2 293.411 0.309 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@H](C)[C@@H](C)[NH3+])CCO1 ZINC000418730898 287195181 /nfs/dbraw/zinc/19/51/81/287195181.db2.gz SOORGCGZIXPPSC-IJLUTSLNSA-N 2 2 272.393 0.132 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@H](C)[C@@H](C)[NH3+])CCO1 ZINC000418730898 287195184 /nfs/dbraw/zinc/19/51/84/287195184.db2.gz SOORGCGZIXPPSC-IJLUTSLNSA-N 2 2 272.393 0.132 20 0 CCADLP C[C@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000422745486 298788321 /nfs/dbraw/zinc/78/83/21/298788321.db2.gz VGUHAHIJLIHSDL-KFWWJZLASA-N 3 2 268.449 0.743 20 0 CCADLP COCCNC(=O)[C@H](CC(C)C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423024414 292554859 /nfs/dbraw/zinc/55/48/59/292554859.db2.gz JFWXWURTAOXWJU-MCIONIFRSA-N 2 2 285.432 0.894 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000049235201 411670472 /nfs/dbraw/zinc/67/04/72/411670472.db2.gz YRZAHBOGLJXMNV-CHWSQXEVSA-N 3 2 252.362 0.318 20 0 CCADLP CC[C@]1(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CCC[NH2+]1 ZINC000214458021 411734189 /nfs/dbraw/zinc/73/41/89/411734189.db2.gz XKJWKTMFSCKWGS-GOEBONIOSA-N 2 2 295.427 0.842 20 0 CCADLP CCO[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000311530766 411749530 /nfs/dbraw/zinc/74/95/30/411749530.db2.gz FLSQXYHEDZSXAQ-UONOGXRCSA-N 2 2 274.405 0.426 20 0 CCADLP CCO[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000311530766 411749533 /nfs/dbraw/zinc/74/95/33/411749533.db2.gz FLSQXYHEDZSXAQ-UONOGXRCSA-N 2 2 274.405 0.426 20 0 CCADLP CCO[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000311530766 411749535 /nfs/dbraw/zinc/74/95/35/411749535.db2.gz FLSQXYHEDZSXAQ-UONOGXRCSA-N 2 2 274.405 0.426 20 0 CCADLP CCO[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000311530766 411749537 /nfs/dbraw/zinc/74/95/37/411749537.db2.gz FLSQXYHEDZSXAQ-UONOGXRCSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]2C1 ZINC000311139994 411750035 /nfs/dbraw/zinc/75/00/35/411750035.db2.gz KYZQLOOXHXMJSL-MJBXVCDLSA-N 2 2 256.390 0.657 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]2C1 ZINC000311139994 411750039 /nfs/dbraw/zinc/75/00/39/411750039.db2.gz KYZQLOOXHXMJSL-MJBXVCDLSA-N 2 2 256.390 0.657 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000311139994 411750041 /nfs/dbraw/zinc/75/00/41/411750041.db2.gz KYZQLOOXHXMJSL-MJBXVCDLSA-N 2 2 256.390 0.657 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000311139994 411750047 /nfs/dbraw/zinc/75/00/47/411750047.db2.gz KYZQLOOXHXMJSL-MJBXVCDLSA-N 2 2 256.390 0.657 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccccn1 ZINC000311454744 411750610 /nfs/dbraw/zinc/75/06/10/411750610.db2.gz KFSNLOGELIOCRE-STQMWFEESA-N 2 2 267.373 0.671 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccccn1 ZINC000311454744 411750614 /nfs/dbraw/zinc/75/06/14/411750614.db2.gz KFSNLOGELIOCRE-STQMWFEESA-N 2 2 267.373 0.671 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccccn1 ZINC000311454741 411750856 /nfs/dbraw/zinc/75/08/56/411750856.db2.gz KFSNLOGELIOCRE-QWHCGFSZSA-N 2 2 267.373 0.671 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccccn1 ZINC000311454741 411750860 /nfs/dbraw/zinc/75/08/60/411750860.db2.gz KFSNLOGELIOCRE-QWHCGFSZSA-N 2 2 267.373 0.671 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@](C)(CO)c1ccccc1 ZINC000314907701 411756422 /nfs/dbraw/zinc/75/64/22/411756422.db2.gz OAGIFRAFMMUJNF-HZPDHXFCSA-N 2 2 296.411 0.423 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@](C)(CO)c1ccccc1 ZINC000314907701 411756426 /nfs/dbraw/zinc/75/64/26/411756426.db2.gz OAGIFRAFMMUJNF-HZPDHXFCSA-N 2 2 296.411 0.423 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](OC(C)C)C1 ZINC000404496816 411795654 /nfs/dbraw/zinc/79/56/54/411795654.db2.gz VSUXQBNFHLBSPU-GJZGRUSLSA-N 2 2 288.432 0.815 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](OC(C)C)C1 ZINC000404496816 411795659 /nfs/dbraw/zinc/79/56/59/411795659.db2.gz VSUXQBNFHLBSPU-GJZGRUSLSA-N 2 2 288.432 0.815 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](OC(C)C)C1 ZINC000404496816 411795665 /nfs/dbraw/zinc/79/56/65/411795665.db2.gz VSUXQBNFHLBSPU-GJZGRUSLSA-N 2 2 288.432 0.815 20 0 CCADLP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405227096 411799916 /nfs/dbraw/zinc/79/99/16/411799916.db2.gz TXHJIWQMSLBLHH-IGQOVBAYSA-N 2 2 285.432 0.975 20 0 CCADLP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405227096 411799921 /nfs/dbraw/zinc/79/99/21/411799921.db2.gz TXHJIWQMSLBLHH-IGQOVBAYSA-N 2 2 285.432 0.975 20 0 CCADLP CCO[C@@H]1C[N@H+](Cc2ccnn2CC)C[C@H]1C[NH3+] ZINC000405263620 411799930 /nfs/dbraw/zinc/79/99/30/411799930.db2.gz QUAOYIHGDYAOOZ-DGCLKSJQSA-N 2 2 252.362 0.699 20 0 CCADLP CCO[C@@H]1C[N@@H+](Cc2ccnn2CC)C[C@H]1C[NH3+] ZINC000405263620 411799934 /nfs/dbraw/zinc/79/99/34/411799934.db2.gz QUAOYIHGDYAOOZ-DGCLKSJQSA-N 2 2 252.362 0.699 20 0 CCADLP O=C([C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1CC[NH+](C2CC2)CC1 ZINC000407460572 411808802 /nfs/dbraw/zinc/80/88/02/411808802.db2.gz RMVAYEZTJVKHIW-KBPBESRZSA-N 2 2 263.385 0.824 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407426319 411809014 /nfs/dbraw/zinc/80/90/14/411809014.db2.gz KFSUGYREESVQIR-STQMWFEESA-N 2 2 262.357 0.920 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cnnn1-c1ccccc1 ZINC000651739130 411926318 /nfs/dbraw/zinc/92/63/18/411926318.db2.gz JUPVBJCXLPIWKH-OAHLLOKOSA-N 2 2 289.383 0.670 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000652339605 412031560 /nfs/dbraw/zinc/03/15/60/412031560.db2.gz CHUQRJADAWJAMR-RDBSUJKOSA-N 3 2 255.406 0.421 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000652339605 412031562 /nfs/dbraw/zinc/03/15/62/412031562.db2.gz CHUQRJADAWJAMR-RDBSUJKOSA-N 3 2 255.406 0.421 20 0 CCADLP CCO[C@@H]1C[N@@H+]([C@H](C(N)=O)c2ccccc2)C[C@H]1C[NH3+] ZINC000652357972 412038468 /nfs/dbraw/zinc/03/84/68/412038468.db2.gz SNSKBYQIARFEPD-MCIONIFRSA-N 2 2 277.368 0.509 20 0 CCADLP CCO[C@@H]1C[N@H+]([C@H](C(N)=O)c2ccccc2)C[C@H]1C[NH3+] ZINC000652357972 412038469 /nfs/dbraw/zinc/03/84/69/412038469.db2.gz SNSKBYQIARFEPD-MCIONIFRSA-N 2 2 277.368 0.509 20 0 CCADLP Cn1nnc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)n1 ZINC000652363905 412040499 /nfs/dbraw/zinc/04/04/99/412040499.db2.gz RODICYLLSFJYMO-IJLUTSLNSA-N 2 2 280.376 0.071 20 0 CCADLP Cn1nnc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)n1 ZINC000652363905 412040501 /nfs/dbraw/zinc/04/05/01/412040501.db2.gz RODICYLLSFJYMO-IJLUTSLNSA-N 2 2 280.376 0.071 20 0 CCADLP COc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653043815 412198890 /nfs/dbraw/zinc/19/88/90/412198890.db2.gz CINRWGITSVWEEU-STQMWFEESA-N 3 2 294.399 0.090 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653052231 412202241 /nfs/dbraw/zinc/20/22/41/412202241.db2.gz YEOQVYVZTGXEMF-LBPRGKRZSA-N 2 2 264.373 0.861 20 0 CCADLP C[C@H]([NH3+])[C@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CCO1 ZINC000653056199 412203917 /nfs/dbraw/zinc/20/39/17/412203917.db2.gz YCYRGDLWALDSSJ-WCQYABFASA-N 2 2 292.383 0.337 20 0 CCADLP Cc1ccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)s1 ZINC000653065551 412207628 /nfs/dbraw/zinc/20/76/28/412207628.db2.gz JRMLYMMSEILAOC-NSHDSACASA-N 2 2 255.387 0.952 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1n[nH]c2ccc(F)cc21 ZINC000653086375 412212591 /nfs/dbraw/zinc/21/25/91/412212591.db2.gz PJLZXSAOERNOTF-JTQLQIEISA-N 2 2 279.319 0.341 20 0 CCADLP COc1ccc(N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653180036 412254232 /nfs/dbraw/zinc/25/42/32/412254232.db2.gz HFJAONXAZCAPAJ-CYBMUJFWSA-N 2 2 265.357 0.937 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N(CC1CC1)CC1CC1 ZINC000653092247 412216296 /nfs/dbraw/zinc/21/62/96/412216296.db2.gz WVJKXPKXLRAJOM-ZDUSSCGKSA-N 2 2 253.390 0.914 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000653098310 412216916 /nfs/dbraw/zinc/21/69/16/412216916.db2.gz JGQCKDGAQZRIPM-CHWSQXEVSA-N 2 2 297.424 0.927 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000653108280 412221869 /nfs/dbraw/zinc/22/18/69/412221869.db2.gz QFQIOPUXPKKFEE-HNNXBMFYSA-N 3 2 292.427 0.643 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(N2CCCC2)cn1 ZINC000653110032 412222266 /nfs/dbraw/zinc/22/22/66/412222266.db2.gz VMIGHWWTSTXZKM-CYBMUJFWSA-N 2 2 291.399 0.899 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653109642 412222278 /nfs/dbraw/zinc/22/22/78/412222278.db2.gz IJRVUTUXJKLNQD-CHWSQXEVSA-N 2 2 269.389 0.213 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000653109825 412222644 /nfs/dbraw/zinc/22/26/44/412222644.db2.gz OKINUMWQXABJQQ-OLZOCXBDSA-N 3 2 298.456 0.746 20 0 CCADLP Cc1ccn2cc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)nc2c1 ZINC000653112160 412223754 /nfs/dbraw/zinc/22/37/54/412223754.db2.gz OCGUXIYBMCZFAC-CYBMUJFWSA-N 2 2 289.383 0.538 20 0 CCADLP CCCC[NH+]1CCC(NC(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653113582 412226629 /nfs/dbraw/zinc/22/66/29/412226629.db2.gz HMWQOPHIKSNRAT-CQSZACIVSA-N 3 2 284.448 0.646 20 0 CCADLP Cc1csc([C@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C)n1 ZINC000653116436 412227514 /nfs/dbraw/zinc/22/75/14/412227514.db2.gz GWMSORZHCKRCQK-UWVGGRQHSA-N 2 2 270.402 0.908 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653124142 412233156 /nfs/dbraw/zinc/23/31/56/412233156.db2.gz RTEDMIPBJBBLEZ-HZSPNIEDSA-N 3 2 282.432 0.351 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653124142 412233158 /nfs/dbraw/zinc/23/31/58/412233158.db2.gz RTEDMIPBJBBLEZ-HZSPNIEDSA-N 3 2 282.432 0.351 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000653130528 412235588 /nfs/dbraw/zinc/23/55/88/412235588.db2.gz QYJKBUXGSQTTIO-CQSZACIVSA-N 3 2 278.400 0.253 20 0 CCADLP C[C@@]1(C[NH3+])CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000653137775 412237353 /nfs/dbraw/zinc/23/73/53/412237353.db2.gz SDXJAZKSUUVONI-HNNXBMFYSA-N 2 2 276.384 0.959 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000653142370 412239402 /nfs/dbraw/zinc/23/94/02/412239402.db2.gz IYMRNFQEXBBVML-YABSGUDNSA-N 2 2 260.341 0.096 20 0 CCADLP Cc1[nH]nc2ncc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc12 ZINC000653149146 412242469 /nfs/dbraw/zinc/24/24/69/412242469.db2.gz YDSWRJSTIDPATC-LLVKDONJSA-N 2 2 276.344 0.484 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCC[C@H]1CCCC[C@@H]1O ZINC000653150650 412243578 /nfs/dbraw/zinc/24/35/78/412243578.db2.gz JBLOFDJVFUZSCF-RDBSUJKOSA-N 2 2 285.432 0.713 20 0 CCADLP CC(C)[C@@H](O)C1(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653158795 412247175 /nfs/dbraw/zinc/24/71/75/412247175.db2.gz LYUFYGZIBHSRKH-VXGBXAGGSA-N 2 2 271.405 0.179 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCOCC2(CCC2)C1 ZINC000653617425 412324608 /nfs/dbraw/zinc/32/46/08/412324608.db2.gz HMCRICZYBIKBNN-CYBMUJFWSA-N 2 2 256.390 0.802 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCOCC2(CCC2)C1 ZINC000653617425 412324613 /nfs/dbraw/zinc/32/46/13/412324613.db2.gz HMCRICZYBIKBNN-CYBMUJFWSA-N 2 2 256.390 0.802 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCOCC2(CCC2)C1 ZINC000653617425 412324615 /nfs/dbraw/zinc/32/46/15/412324615.db2.gz HMCRICZYBIKBNN-CYBMUJFWSA-N 2 2 256.390 0.802 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCOCC2(CCC2)C1 ZINC000653617425 412324621 /nfs/dbraw/zinc/32/46/21/412324621.db2.gz HMCRICZYBIKBNN-CYBMUJFWSA-N 2 2 256.390 0.802 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccc(C)cn1 ZINC000653731254 412340718 /nfs/dbraw/zinc/34/07/18/412340718.db2.gz AFSVTPCKKNBPJO-HNNXBMFYSA-N 2 2 281.400 0.761 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccc(C)cn1 ZINC000653731254 412340720 /nfs/dbraw/zinc/34/07/20/412340720.db2.gz AFSVTPCKKNBPJO-HNNXBMFYSA-N 2 2 281.400 0.761 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccc(C)cn1 ZINC000653731254 412340721 /nfs/dbraw/zinc/34/07/21/412340721.db2.gz AFSVTPCKKNBPJO-HNNXBMFYSA-N 2 2 281.400 0.761 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccc(C)cn1 ZINC000653731254 412340724 /nfs/dbraw/zinc/34/07/24/412340724.db2.gz AFSVTPCKKNBPJO-HNNXBMFYSA-N 2 2 281.400 0.761 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(C)(C)CO)C2)CC1 ZINC000654774999 412437713 /nfs/dbraw/zinc/43/77/13/412437713.db2.gz ALQSGEVYFIPUAC-GFCCVEGCSA-N 2 2 283.416 0.290 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(C)(C)CO)C2)CC1 ZINC000654774999 412437715 /nfs/dbraw/zinc/43/77/15/412437715.db2.gz ALQSGEVYFIPUAC-GFCCVEGCSA-N 2 2 283.416 0.290 20 0 CCADLP CC[N@@H+]1CCN(C(=O)C[NH+]2CC(C)(C)C2)C[C@H]1C ZINC000654954236 412453075 /nfs/dbraw/zinc/45/30/75/412453075.db2.gz SHNIDSOBZMMGMV-GFCCVEGCSA-N 2 2 253.390 0.881 20 0 CCADLP CC[N@H+]1CCN(C(=O)C[NH+]2CC(C)(C)C2)C[C@H]1C ZINC000654954236 412453077 /nfs/dbraw/zinc/45/30/77/412453077.db2.gz SHNIDSOBZMMGMV-GFCCVEGCSA-N 2 2 253.390 0.881 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659455795 413513103 /nfs/dbraw/zinc/51/31/03/413513103.db2.gz DBKFJGKZXCIWCG-OLZOCXBDSA-N 3 2 297.447 0.062 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659455795 413513109 /nfs/dbraw/zinc/51/31/09/413513109.db2.gz DBKFJGKZXCIWCG-OLZOCXBDSA-N 3 2 297.447 0.062 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000659484235 413539709 /nfs/dbraw/zinc/53/97/09/413539709.db2.gz QQKKBVBCWLYEIQ-UWVGGRQHSA-N 2 2 251.334 0.105 20 0 CCADLP CC(C)[C@H]([NH3+])CCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000659487259 413543237 /nfs/dbraw/zinc/54/32/37/413543237.db2.gz VCPKPEODAAIDMX-CYBMUJFWSA-N 2 2 298.431 0.524 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NCC23CC(C2)C[NH2+]3)c2[nH+]ccn21 ZINC000659502337 413555488 /nfs/dbraw/zinc/55/54/88/413555488.db2.gz WKGQVMVTXMQDDS-ICYKSAPQSA-N 2 2 275.356 0.940 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000659518719 413588441 /nfs/dbraw/zinc/58/84/41/413588441.db2.gz ZXGNXLKAELQQPN-ZJUUUORDSA-N 2 2 253.350 0.764 20 0 CCADLP [NH3+]C/C=C\CNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000659543963 413630375 /nfs/dbraw/zinc/63/03/75/413630375.db2.gz NZNAXZTUVPRPDN-UPHRSURJSA-N 2 2 289.383 0.996 20 0 CCADLP [NH3+]C/C=C/CNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000659543962 413630729 /nfs/dbraw/zinc/63/07/29/413630729.db2.gz NZNAXZTUVPRPDN-OWOJBTEDSA-N 2 2 289.383 0.996 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000659548245 413637344 /nfs/dbraw/zinc/63/73/44/413637344.db2.gz HJMWWBXQRWHAAG-CHWSQXEVSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659536624 413621552 /nfs/dbraw/zinc/62/15/52/413621552.db2.gz IJSBICCCOZAOOW-MGPQQGTHSA-N 2 2 296.415 0.101 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000659636970 413739454 /nfs/dbraw/zinc/73/94/54/413739454.db2.gz SMFUYADJURIRBC-CYBMUJFWSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000659641021 413746490 /nfs/dbraw/zinc/74/64/90/413746490.db2.gz PVRVAXVDQOWMII-LLVKDONJSA-N 2 2 292.387 0.225 20 0 CCADLP C[C@@H](NC(=O)NCC12CC(C1)C[NH2+]2)c1[nH+]ccn1C ZINC000659611706 413700591 /nfs/dbraw/zinc/70/05/91/413700591.db2.gz QIFKVOGPYWOMOK-TTXORMCVSA-N 2 2 263.345 0.532 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000659633678 413732394 /nfs/dbraw/zinc/73/23/94/413732394.db2.gz FHMAYQLRKQNTLV-RWMBFGLXSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@H]1C[C@H](C)C[NH+](CCN2CC[NH+](CC(N)=O)CC2)C1 ZINC000659824031 413890763 /nfs/dbraw/zinc/89/07/63/413890763.db2.gz MGNRSQPUJDEFDY-KBPBESRZSA-N 2 2 282.432 0.067 20 0 CCADLP CC(=O)c1nc(CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)[nH]c1C ZINC000659850396 413912996 /nfs/dbraw/zinc/91/29/96/413912996.db2.gz OZUBOXFMPVDAIC-TXEJJXNPSA-N 2 2 262.357 0.614 20 0 CCADLP CC(=O)c1nc(CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)[nH]c1C ZINC000659850396 413913005 /nfs/dbraw/zinc/91/30/05/413913005.db2.gz OZUBOXFMPVDAIC-TXEJJXNPSA-N 2 2 262.357 0.614 20 0 CCADLP CC(=O)c1[nH]c(CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)nc1C ZINC000659850396 413913013 /nfs/dbraw/zinc/91/30/13/413913013.db2.gz OZUBOXFMPVDAIC-TXEJJXNPSA-N 2 2 262.357 0.614 20 0 CCADLP CC(=O)c1[nH]c(CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)nc1C ZINC000659850396 413913018 /nfs/dbraw/zinc/91/30/18/413913018.db2.gz OZUBOXFMPVDAIC-TXEJJXNPSA-N 2 2 262.357 0.614 20 0 CCADLP C[NH2+]C1CC[NH+]([C@H](C)C(=O)NCCCOC)CC1 ZINC000037536914 173256280 /nfs/dbraw/zinc/25/62/80/173256280.db2.gz NEHQRBDPADZFMI-LLVKDONJSA-N 2 2 257.378 0.211 20 0 CCADLP COC[C@H](C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)OC ZINC000660120934 414128129 /nfs/dbraw/zinc/12/81/29/414128129.db2.gz QQQMTYQQVSFFDQ-UONOGXRCSA-N 2 2 299.415 0.062 20 0 CCADLP CC(C)[NH2+][C@H]1CCC[N@H+](C[C@@]2(O)CCCOC2)C1 ZINC000660068259 414087663 /nfs/dbraw/zinc/08/76/63/414087663.db2.gz BKXJCUJZKSMJNK-KBPBESRZSA-N 2 2 256.390 0.990 20 0 CCADLP CC(C)[NH2+][C@H]1CCC[N@@H+](C[C@@]2(O)CCCOC2)C1 ZINC000660068259 414087674 /nfs/dbraw/zinc/08/76/74/414087674.db2.gz BKXJCUJZKSMJNK-KBPBESRZSA-N 2 2 256.390 0.990 20 0 CCADLP C[C@@H]1CC[N@H+](C[C@@H]2CNC(=O)C2)C[C@@H]1n1cc[nH+]c1 ZINC000660112663 414121725 /nfs/dbraw/zinc/12/17/25/414121725.db2.gz KOABTGXOIIIFLO-AGIUHOORSA-N 2 2 262.357 0.902 20 0 CCADLP C[C@@H]1CC[N@@H+](C[C@@H]2CNC(=O)C2)C[C@@H]1n1cc[nH+]c1 ZINC000660112663 414121735 /nfs/dbraw/zinc/12/17/35/414121735.db2.gz KOABTGXOIIIFLO-AGIUHOORSA-N 2 2 262.357 0.902 20 0 CCADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2cc[nH]n2)CC1 ZINC000660165093 414176107 /nfs/dbraw/zinc/17/61/07/414176107.db2.gz PFHUYBHBYCXUJN-UHFFFAOYSA-N 2 2 280.372 0.069 20 0 CCADLP C[C@@H](O)CC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660478371 414347119 /nfs/dbraw/zinc/34/71/19/414347119.db2.gz LZHJMLGGQBHMIC-KGLIPLIRSA-N 2 2 256.390 0.944 20 0 CCADLP C[C@@H](O)CC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660478371 414347127 /nfs/dbraw/zinc/34/71/27/414347127.db2.gz LZHJMLGGQBHMIC-KGLIPLIRSA-N 2 2 256.390 0.944 20 0 CCADLP O=C1NCC[C@H]1CC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660476182 414347964 /nfs/dbraw/zinc/34/79/64/414347964.db2.gz XROJIOIAQZCJRA-GJZGRUSLSA-N 2 2 295.427 0.699 20 0 CCADLP O=C1NCC[C@H]1CC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660476182 414347970 /nfs/dbraw/zinc/34/79/70/414347970.db2.gz XROJIOIAQZCJRA-GJZGRUSLSA-N 2 2 295.427 0.699 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](N2CCOCC2)CC1 ZINC000660476522 414350361 /nfs/dbraw/zinc/35/03/61/414350361.db2.gz ZJQAAPPGOYGIRP-HOTGVXAUSA-N 2 2 299.459 0.486 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](N2CCOCC2)CC1 ZINC000660476522 414350366 /nfs/dbraw/zinc/35/03/66/414350366.db2.gz ZJQAAPPGOYGIRP-HOTGVXAUSA-N 2 2 299.459 0.486 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000660476522 414350371 /nfs/dbraw/zinc/35/03/71/414350371.db2.gz ZJQAAPPGOYGIRP-HOTGVXAUSA-N 2 2 299.459 0.486 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000660476522 414350375 /nfs/dbraw/zinc/35/03/75/414350375.db2.gz ZJQAAPPGOYGIRP-HOTGVXAUSA-N 2 2 299.459 0.486 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660476522 414350380 /nfs/dbraw/zinc/35/03/80/414350380.db2.gz ZJQAAPPGOYGIRP-HOTGVXAUSA-N 3 2 299.459 0.486 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660476522 414350386 /nfs/dbraw/zinc/35/03/86/414350386.db2.gz ZJQAAPPGOYGIRP-HOTGVXAUSA-N 3 2 299.459 0.486 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660476522 414350390 /nfs/dbraw/zinc/35/03/90/414350390.db2.gz ZJQAAPPGOYGIRP-HOTGVXAUSA-N 3 2 299.459 0.486 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660476522 414350400 /nfs/dbraw/zinc/35/04/00/414350400.db2.gz ZJQAAPPGOYGIRP-HOTGVXAUSA-N 3 2 299.459 0.486 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](n2cccn2)C1 ZINC000660596324 414408156 /nfs/dbraw/zinc/40/81/56/414408156.db2.gz KFWSNNJKNTUHGN-ZIAGYGMSSA-N 2 2 266.389 0.831 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](n2cccn2)C1 ZINC000660596324 414408162 /nfs/dbraw/zinc/40/81/62/414408162.db2.gz KFWSNNJKNTUHGN-ZIAGYGMSSA-N 2 2 266.389 0.831 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000660596324 414408168 /nfs/dbraw/zinc/40/81/68/414408168.db2.gz KFWSNNJKNTUHGN-ZIAGYGMSSA-N 2 2 266.389 0.831 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000660596324 414408175 /nfs/dbraw/zinc/40/81/75/414408175.db2.gz KFWSNNJKNTUHGN-ZIAGYGMSSA-N 2 2 266.389 0.831 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCC(=O)N(C)C1 ZINC000660623640 414416494 /nfs/dbraw/zinc/41/64/94/414416494.db2.gz PDINGCFIWKOGQF-QWHCGFSZSA-N 2 2 271.405 0.240 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCC(=O)N(C)C1 ZINC000660623640 414416500 /nfs/dbraw/zinc/41/65/00/414416500.db2.gz PDINGCFIWKOGQF-QWHCGFSZSA-N 2 2 271.405 0.240 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000660623640 414416507 /nfs/dbraw/zinc/41/65/07/414416507.db2.gz PDINGCFIWKOGQF-QWHCGFSZSA-N 2 2 271.405 0.240 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000660623640 414416512 /nfs/dbraw/zinc/41/65/12/414416512.db2.gz PDINGCFIWKOGQF-QWHCGFSZSA-N 2 2 271.405 0.240 20 0 CCADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)N1CC[NH+](C)CC1)C2 ZINC000660654539 414428230 /nfs/dbraw/zinc/42/82/30/414428230.db2.gz GYVVCGFOQOASSA-INIZCTEOSA-N 3 2 294.443 0.178 20 0 CCADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)N1CC[NH+](C)CC1)C2 ZINC000660654539 414428233 /nfs/dbraw/zinc/42/82/33/414428233.db2.gz GYVVCGFOQOASSA-INIZCTEOSA-N 3 2 294.443 0.178 20 0 CCADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC(=O)N1CC[NH+](C)CC1)C2 ZINC000660654539 414428238 /nfs/dbraw/zinc/42/82/38/414428238.db2.gz GYVVCGFOQOASSA-INIZCTEOSA-N 3 2 294.443 0.178 20 0 CCADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC(=O)N1CC[NH+](C)CC1)C2 ZINC000660654539 414428241 /nfs/dbraw/zinc/42/82/41/414428241.db2.gz GYVVCGFOQOASSA-INIZCTEOSA-N 3 2 294.443 0.178 20 0 CCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654201 414429793 /nfs/dbraw/zinc/42/97/93/414429793.db2.gz YKTSDSOQMAWHBW-JSGCOSHPSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654201 414429801 /nfs/dbraw/zinc/42/98/01/414429801.db2.gz YKTSDSOQMAWHBW-JSGCOSHPSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@@H](C(=O)N(C)C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660654201 414429805 /nfs/dbraw/zinc/42/98/05/414429805.db2.gz YKTSDSOQMAWHBW-JSGCOSHPSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@@H](C(=O)N(C)C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660654201 414429814 /nfs/dbraw/zinc/42/98/14/414429814.db2.gz YKTSDSOQMAWHBW-JSGCOSHPSA-N 2 2 253.390 0.881 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)N[C@H](C)c2[nH+]ccn2C)C1 ZINC000660704743 414454338 /nfs/dbraw/zinc/45/43/38/414454338.db2.gz CKUFHXCEEWEQCH-NEPJUHHUSA-N 2 2 295.387 0.501 20 0 CCADLP OCC1([NH2+]CC2CC2)CC[NH+](CCc2cn[nH]n2)CC1 ZINC000660760378 414475128 /nfs/dbraw/zinc/47/51/28/414475128.db2.gz OPUILIGKZRDMJQ-UHFFFAOYSA-N 2 2 279.388 0.174 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000660837193 414500206 /nfs/dbraw/zinc/50/02/06/414500206.db2.gz MMDBPTVTQWGDCE-SNVBAGLBSA-N 2 2 251.334 0.645 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000660837193 414500209 /nfs/dbraw/zinc/50/02/09/414500209.db2.gz MMDBPTVTQWGDCE-SNVBAGLBSA-N 2 2 251.334 0.645 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000660837193 414500210 /nfs/dbraw/zinc/50/02/10/414500210.db2.gz MMDBPTVTQWGDCE-SNVBAGLBSA-N 2 2 251.334 0.645 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000660837193 414500213 /nfs/dbraw/zinc/50/02/13/414500213.db2.gz MMDBPTVTQWGDCE-SNVBAGLBSA-N 2 2 251.334 0.645 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)NCCc1cn(C)c[nH+]1 ZINC000661303888 414594696 /nfs/dbraw/zinc/59/46/96/414594696.db2.gz PYSZPVJVBUVILT-UHFFFAOYSA-N 2 2 265.361 0.166 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661138948 414561659 /nfs/dbraw/zinc/56/16/59/414561659.db2.gz FVQFPXVXTLYODZ-GFCCVEGCSA-N 2 2 260.345 0.576 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661138948 414561663 /nfs/dbraw/zinc/56/16/63/414561663.db2.gz FVQFPXVXTLYODZ-GFCCVEGCSA-N 2 2 260.345 0.576 20 0 CCADLP C[NH2+]CC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000040428817 174259198 /nfs/dbraw/zinc/25/91/98/174259198.db2.gz UMORPAWTIHVMQR-ZDUSSCGKSA-N 2 2 258.325 0.845 20 0 CCADLP C[NH2+]C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000040594999 174348637 /nfs/dbraw/zinc/34/86/37/174348637.db2.gz MGMMOBAXRRRLGI-GFCCVEGCSA-N 2 2 250.346 0.731 20 0 CCADLP C([C@H]1CCCO1)N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662258870 414701380 /nfs/dbraw/zinc/70/13/80/414701380.db2.gz NHFKTDFOFGSXQT-CABCVRRESA-N 2 2 295.427 0.304 20 0 CCADLP c1csc(N2CCC[N@@H+](C[C@H]3C[NH2+]CCO3)CC2)n1 ZINC000662260814 414702017 /nfs/dbraw/zinc/70/20/17/414702017.db2.gz QROFANJODLRJLD-GFCCVEGCSA-N 2 2 282.413 0.644 20 0 CCADLP c1csc(N2CCC[N@H+](C[C@H]3C[NH2+]CCO3)CC2)n1 ZINC000662260814 414702018 /nfs/dbraw/zinc/70/20/18/414702018.db2.gz QROFANJODLRJLD-GFCCVEGCSA-N 2 2 282.413 0.644 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000662273591 414704294 /nfs/dbraw/zinc/70/42/94/414704294.db2.gz OYDIPPULRRWDDC-KGLIPLIRSA-N 3 2 253.390 0.296 20 0 CCADLP c1cncc(C[NH+]2CCN(C[C@H]3C[NH2+]CCO3)CC2)c1 ZINC000662277929 414704852 /nfs/dbraw/zinc/70/48/52/414704852.db2.gz VJRIDPYXJFFTKK-OAHLLOKOSA-N 2 2 276.384 0.188 20 0 CCADLP C([NH2+][C@@H]1CCCC12CCOCC2)[C@@H]1C[NH2+]CCO1 ZINC000662281732 414705873 /nfs/dbraw/zinc/70/58/73/414705873.db2.gz LLIOMDVQTPAUAB-QWHCGFSZSA-N 2 2 254.374 0.914 20 0 CCADLP C[C@@H]1C[C@@H](C)CN(C(=O)C[NH2+]C2(CO)CC[NH2+]CC2)C1 ZINC000662285587 414706003 /nfs/dbraw/zinc/70/60/03/414706003.db2.gz DYNMNQKOOVTVCJ-CHWSQXEVSA-N 2 2 283.416 0.195 20 0 CCADLP CCc1ccccc1NC(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662285750 414706143 /nfs/dbraw/zinc/70/61/43/414706143.db2.gz GTKWZAMKSKMVEH-UHFFFAOYSA-N 2 2 291.395 0.892 20 0 CCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)Nc1ccccc1F ZINC000662286343 414706915 /nfs/dbraw/zinc/70/69/15/414706915.db2.gz RWILJFSBRSSOPW-UHFFFAOYSA-N 2 2 281.331 0.468 20 0 CCADLP CCCCNC(=O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662317723 414709226 /nfs/dbraw/zinc/70/92/26/414709226.db2.gz RENBMTHLTWMSLD-AWEZNQCLSA-N 2 2 285.432 0.945 20 0 CCADLP CCCCNC(=O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662317723 414709227 /nfs/dbraw/zinc/70/92/27/414709227.db2.gz RENBMTHLTWMSLD-AWEZNQCLSA-N 2 2 285.432 0.945 20 0 CCADLP C(C[NH+]1CCOCC1)C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662033702 414687857 /nfs/dbraw/zinc/68/78/57/414687857.db2.gz KPCODBXROJCREF-UONOGXRCSA-N 2 2 254.374 0.677 20 0 CCADLP C(C[NH+]1CCOCC1)C[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662033702 414687858 /nfs/dbraw/zinc/68/78/58/414687858.db2.gz KPCODBXROJCREF-UONOGXRCSA-N 2 2 254.374 0.677 20 0 CCADLP CCCCN(C)C(=O)C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662251399 414699225 /nfs/dbraw/zinc/69/92/25/414699225.db2.gz BNFNCCAMGLTDMA-OAHLLOKOSA-N 2 2 297.443 0.945 20 0 CCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1coc(S(N)(=O)=O)c1 ZINC000662247997 414699430 /nfs/dbraw/zinc/69/94/30/414699430.db2.gz QMHXLNMOMFBMSA-LLVKDONJSA-N 2 2 275.374 0.390 20 0 CCADLP CC(C)N(C)C(=O)C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662252480 414699592 /nfs/dbraw/zinc/69/95/92/414699592.db2.gz ORWAXFXRLQHIPQ-CQSZACIVSA-N 2 2 283.416 0.554 20 0 CCADLP CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662252553 414699709 /nfs/dbraw/zinc/69/97/09/414699709.db2.gz AGHLQSPENVEQHP-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP CCN(CC)C(=O)[C@@H]1CCC[N@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662252553 414699710 /nfs/dbraw/zinc/69/97/10/414699710.db2.gz AGHLQSPENVEQHP-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP Cc1ccncc1CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000662427661 414717712 /nfs/dbraw/zinc/71/77/12/414717712.db2.gz AISRZCALEURXGM-CYBMUJFWSA-N 2 2 262.357 0.034 20 0 CCADLP Cc1ccncc1CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000662427661 414717713 /nfs/dbraw/zinc/71/77/13/414717713.db2.gz AISRZCALEURXGM-CYBMUJFWSA-N 2 2 262.357 0.034 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662444417 414719192 /nfs/dbraw/zinc/71/91/92/414719192.db2.gz GULRZVWCUCUAGP-GFCCVEGCSA-N 2 2 289.379 0.740 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662444417 414719193 /nfs/dbraw/zinc/71/91/93/414719193.db2.gz GULRZVWCUCUAGP-GFCCVEGCSA-N 2 2 289.379 0.740 20 0 CCADLP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000662459396 414720391 /nfs/dbraw/zinc/72/03/91/414720391.db2.gz YPJYTGNJSNEKLU-ZDUSSCGKSA-N 2 2 269.389 0.435 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)[C@H](C)CO1 ZINC000662633496 414735303 /nfs/dbraw/zinc/73/53/03/414735303.db2.gz LIXSSRDKBFGFCA-HGTKMLMNSA-N 2 2 295.427 0.602 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)[C@H](C)CO1 ZINC000662633496 414735304 /nfs/dbraw/zinc/73/53/04/414735304.db2.gz LIXSSRDKBFGFCA-HGTKMLMNSA-N 2 2 295.427 0.602 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)C(C)(C)C[NH3+])[C@@H](C)CO1 ZINC000662635448 414735874 /nfs/dbraw/zinc/73/58/74/414735874.db2.gz VVYOSKLQCJQZNX-QWRGUYRKSA-N 2 2 257.378 0.197 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)C(C)(C)C[NH3+])[C@@H](C)CO1 ZINC000662635448 414735875 /nfs/dbraw/zinc/73/58/75/414735875.db2.gz VVYOSKLQCJQZNX-QWRGUYRKSA-N 2 2 257.378 0.197 20 0 CCADLP [NH3+][C@H](C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)C1CCC1 ZINC000662656988 414737505 /nfs/dbraw/zinc/73/75/05/414737505.db2.gz VRXAAARIXZWOEM-STQMWFEESA-N 2 2 267.373 0.047 20 0 CCADLP CC(C)(CNC(=O)C1([NH2+]C2CC2)CCC1)[NH+]1CCOCC1 ZINC000662662821 414738410 /nfs/dbraw/zinc/73/84/10/414738410.db2.gz WYHFGLOJGVYLQK-UHFFFAOYSA-N 2 2 295.427 0.888 20 0 CCADLP CC(C)(CNC(=O)[C@@H]1[NH2+]CCC1(C)C)[NH+]1CCOCC1 ZINC000662661623 414738573 /nfs/dbraw/zinc/73/85/73/414738573.db2.gz FZGMUICEYFEYLA-LBPRGKRZSA-N 2 2 283.416 0.602 20 0 CCADLP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000662687558 414740943 /nfs/dbraw/zinc/74/09/43/414740943.db2.gz HHQGXKNLECARNK-RYUDHWBXSA-N 2 2 268.361 0.388 20 0 CCADLP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000662685234 414741165 /nfs/dbraw/zinc/74/11/65/414741165.db2.gz QROYUJFLKSFJSL-CHWSQXEVSA-N 2 2 292.383 0.242 20 0 CCADLP COc1ccccc1[C@@H]1C[C@H]1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000662702226 414743940 /nfs/dbraw/zinc/74/39/40/414743940.db2.gz IGWUSZWSNXGYSI-MELADBBJSA-N 2 2 291.395 0.946 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000662857852 414849332 /nfs/dbraw/zinc/84/93/32/414849332.db2.gz RNKUABCBVSVSPN-GFCCVEGCSA-N 3 2 272.437 0.360 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000662857852 414849337 /nfs/dbraw/zinc/84/93/37/414849337.db2.gz RNKUABCBVSVSPN-GFCCVEGCSA-N 3 2 272.437 0.360 20 0 CCADLP O=C(N1CC[NH+]([C@@H]2CCOC2)CC1)C1([NH2+]C2CC2)CCC1 ZINC000662870727 414855900 /nfs/dbraw/zinc/85/59/00/414855900.db2.gz MNVQYHZMDWUFFD-CQSZACIVSA-N 2 2 293.411 0.594 20 0 CCADLP CN(C(=O)C1([NH3+])CCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899493 414881449 /nfs/dbraw/zinc/88/14/49/414881449.db2.gz DLTJJLWTUBKJLX-CQSZACIVSA-N 3 2 294.443 0.495 20 0 CCADLP CN(C(=O)C1([NH3+])CCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899493 414881450 /nfs/dbraw/zinc/88/14/50/414881450.db2.gz DLTJJLWTUBKJLX-CQSZACIVSA-N 3 2 294.443 0.495 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)NCC12CC(C1)C[NH2+]2 ZINC000662922483 414895347 /nfs/dbraw/zinc/89/53/47/414895347.db2.gz BSFYLTGTXRSXOC-UHFFFAOYSA-N 2 2 274.368 0.630 20 0 CCADLP C[C@@H](NC(=O)COC1CCC([NH3+])CC1)c1[nH+]ccn1C ZINC000662934061 414901734 /nfs/dbraw/zinc/90/17/34/414901734.db2.gz LRHPGMJNKUBXQV-VOMCLLRMSA-N 2 2 280.372 0.884 20 0 CCADLP C[C@@H](NC(=O)c1csc(C[NH3+])n1)c1[nH+]ccn1C ZINC000662933160 414901798 /nfs/dbraw/zinc/90/17/98/414901798.db2.gz HWZFNPZCEPUSQC-SSDOTTSWSA-N 2 2 265.342 0.826 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CC1 ZINC000663363892 415050698 /nfs/dbraw/zinc/05/06/98/415050698.db2.gz NSUFQSRECURZHY-HZPDHXFCSA-N 3 2 297.443 0.284 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CC1 ZINC000663363892 415050704 /nfs/dbraw/zinc/05/07/04/415050704.db2.gz NSUFQSRECURZHY-HZPDHXFCSA-N 3 2 297.443 0.284 20 0 CCADLP CCn1nccc1C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000663377961 415052229 /nfs/dbraw/zinc/05/22/29/415052229.db2.gz YTNAZQSDORDXAO-CYBMUJFWSA-N 2 2 252.362 0.448 20 0 CCADLP CCn1nccc1C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000663377961 415052232 /nfs/dbraw/zinc/05/22/32/415052232.db2.gz YTNAZQSDORDXAO-CYBMUJFWSA-N 2 2 252.362 0.448 20 0 CCADLP C[NH+](C)CCCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000663408990 415059868 /nfs/dbraw/zinc/05/98/68/415059868.db2.gz JIBZYYPWZKTIMQ-CYBMUJFWSA-N 2 2 284.404 0.054 20 0 CCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1nc2c(s1)C[NH2+]CC2 ZINC000663493666 415076659 /nfs/dbraw/zinc/07/66/59/415076659.db2.gz CQQLOQHYTFPOMV-ZJUUUORDSA-N 3 2 266.414 0.958 20 0 CCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1nc2c(s1)C[NH2+]CC2 ZINC000663493666 415076664 /nfs/dbraw/zinc/07/66/64/415076664.db2.gz CQQLOQHYTFPOMV-ZJUUUORDSA-N 3 2 266.414 0.958 20 0 CCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nccn(C)c1=O ZINC000664196398 415277707 /nfs/dbraw/zinc/27/77/07/415277707.db2.gz KVTXMIRBCULINQ-LBPRGKRZSA-N 2 2 281.404 0.464 20 0 CCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nccn(C)c1=O ZINC000664196398 415277713 /nfs/dbraw/zinc/27/77/13/415277713.db2.gz KVTXMIRBCULINQ-LBPRGKRZSA-N 2 2 281.404 0.464 20 0 CCADLP NC(=O)c1csc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000665273414 415584333 /nfs/dbraw/zinc/58/43/33/415584333.db2.gz WKXXSVNLDGYLEP-SFYZADRCSA-N 2 2 254.359 0.602 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000665275856 415585354 /nfs/dbraw/zinc/58/53/54/415585354.db2.gz UHMHYOGYZCLTHT-KBMXLJTQSA-N 3 2 297.443 0.596 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)CC[N@@H+]1C ZINC000665291456 415587894 /nfs/dbraw/zinc/58/78/94/415587894.db2.gz BYAMQCQKWMOWAO-ZJUUUORDSA-N 3 2 265.361 0.213 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)CC[N@H+]1C ZINC000665291456 415587902 /nfs/dbraw/zinc/58/79/02/415587902.db2.gz BYAMQCQKWMOWAO-ZJUUUORDSA-N 3 2 265.361 0.213 20 0 CCADLP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665294588 415589710 /nfs/dbraw/zinc/58/97/10/415589710.db2.gz RIUJSAMPMWLRED-ONGXEEELSA-N 3 2 265.361 0.119 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)[C@@H]2CCC[C@H]21 ZINC000665292654 415591095 /nfs/dbraw/zinc/59/10/95/415591095.db2.gz GRGSHGPFVCZQQA-RWMBFGLXSA-N 3 2 291.399 0.603 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)[C@@H]2CCC[C@H]21 ZINC000665292654 415591101 /nfs/dbraw/zinc/59/11/01/415591101.db2.gz GRGSHGPFVCZQQA-RWMBFGLXSA-N 3 2 291.399 0.603 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000071276113 176106697 /nfs/dbraw/zinc/10/66/97/176106697.db2.gz XBYAZCIRHUKHKZ-ZDUSSCGKSA-N 2 2 270.336 0.751 20 0 CCADLP CC[NH+]1CCC([N@H+](C)CC(=O)NC(=O)NCC(C)C)CC1 ZINC000077248770 177239570 /nfs/dbraw/zinc/23/95/70/177239570.db2.gz TWSIBIBGWGESNW-UHFFFAOYSA-N 2 2 298.431 0.884 20 0 CCADLP CC[NH+]1CCC([N@@H+](C)CC(=O)NC(=O)NCC(C)C)CC1 ZINC000077248770 177239572 /nfs/dbraw/zinc/23/95/72/177239572.db2.gz TWSIBIBGWGESNW-UHFFFAOYSA-N 2 2 298.431 0.884 20 0 CCADLP Cc1ccccc1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000037855408 544424198 /nfs/dbraw/zinc/42/41/98/544424198.db2.gz PWMPQCFSOOFCPE-UHFFFAOYSA-N 2 2 261.369 0.859 20 0 CCADLP C[C@H](CS(C)(=O)=O)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000081899207 544484209 /nfs/dbraw/zinc/48/42/09/544484209.db2.gz KBCPHGGZRCNTEM-GFCCVEGCSA-N 2 2 291.461 0.035 20 0 CCADLP C[N@@H+]1CCC[C@H]1CCN(CCO)CC[NH+]1CCOCC1 ZINC000089614866 544516079 /nfs/dbraw/zinc/51/60/79/544516079.db2.gz NBARRDSBBOPFQO-HNNXBMFYSA-N 2 2 285.432 0.097 20 0 CCADLP C[N@H+]1CCC[C@H]1CCN(CCO)CC[NH+]1CCOCC1 ZINC000089614866 544516083 /nfs/dbraw/zinc/51/60/83/544516083.db2.gz NBARRDSBBOPFQO-HNNXBMFYSA-N 2 2 285.432 0.097 20 0 CCADLP C[NH2+]CCOCC[N@H+](C)CC(=O)Nc1cc(C)on1 ZINC000629566402 419458021 /nfs/dbraw/zinc/45/80/21/419458021.db2.gz JSBMPMLZCWVETD-UHFFFAOYSA-N 2 2 270.333 0.089 20 0 CCADLP C[NH2+]CCOCC[N@@H+](C)CC(=O)Nc1cc(C)on1 ZINC000629566402 419458027 /nfs/dbraw/zinc/45/80/27/419458027.db2.gz JSBMPMLZCWVETD-UHFFFAOYSA-N 2 2 270.333 0.089 20 0 CCADLP Cc1nc(NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)nc(N)[nH+]1 ZINC000631048921 419475298 /nfs/dbraw/zinc/47/52/98/419475298.db2.gz ACCYQZXGCGBURO-UWVGGRQHSA-N 2 2 280.376 0.095 20 0 CCADLP Cc1nc(N)nc(NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)[nH+]1 ZINC000631048921 419475302 /nfs/dbraw/zinc/47/53/02/419475302.db2.gz ACCYQZXGCGBURO-UWVGGRQHSA-N 2 2 280.376 0.095 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CC(=O)NCc2ccco2)CC[N@@H+]1C ZINC000128106022 544609615 /nfs/dbraw/zinc/60/96/15/544609615.db2.gz PJUDXCRSDQWJGW-NWDGAFQWSA-N 2 2 265.357 0.968 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CC(=O)NCc2ccco2)CC[N@H+]1C ZINC000128106022 544609617 /nfs/dbraw/zinc/60/96/17/544609617.db2.gz PJUDXCRSDQWJGW-NWDGAFQWSA-N 2 2 265.357 0.968 20 0 CCADLP CC[N@@H+]1CCN(c2nc[nH+]c(N)c2OC)C[C@@H]1C ZINC000134890907 544631785 /nfs/dbraw/zinc/63/17/85/544631785.db2.gz QOJPBZKDTVENQV-VIFPVBQESA-N 2 2 251.334 0.598 20 0 CCADLP CC[N@H+]1CCN(c2nc[nH+]c(N)c2OC)C[C@@H]1C ZINC000134890907 544631789 /nfs/dbraw/zinc/63/17/89/544631789.db2.gz QOJPBZKDTVENQV-VIFPVBQESA-N 2 2 251.334 0.598 20 0 CCADLP C[C@H](CNC(=O)C1([NH3+])CCCC1)Cn1cc[nH+]c1 ZINC000178721246 544748487 /nfs/dbraw/zinc/74/84/87/544748487.db2.gz HPBZIZOXJZPAFJ-LLVKDONJSA-N 2 2 250.346 0.907 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@H]2Cc3ccccc32)[C@@H](C[NH3+])C1 ZINC000226611296 544831250 /nfs/dbraw/zinc/83/12/50/544831250.db2.gz BAAXBBASSUGDFO-JSGCOSHPSA-N 2 2 259.353 0.428 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]2Cc3ccccc32)[C@@H](C[NH3+])C1 ZINC000226611296 544831256 /nfs/dbraw/zinc/83/12/56/544831256.db2.gz BAAXBBASSUGDFO-JSGCOSHPSA-N 2 2 259.353 0.428 20 0 CCADLP C[C@H]([C@H](C)NC(=O)CC1([NH3+])CCC1)[NH+]1CCOCC1 ZINC000237572849 544897074 /nfs/dbraw/zinc/89/70/74/544897074.db2.gz QGDRCMBMJOXTGB-NWDGAFQWSA-N 2 2 269.389 0.483 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000305181130 544988739 /nfs/dbraw/zinc/98/87/39/544988739.db2.gz HLNLYJVXJPUWDX-AWEZNQCLSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[NH+]1CCOCC1 ZINC000333938980 545044779 /nfs/dbraw/zinc/04/47/79/545044779.db2.gz MXGGRKNDKRYWIH-FRRDWIJNSA-N 2 2 284.404 0.004 20 0 CCADLP O=C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)N1CCCC1 ZINC000335008706 545047653 /nfs/dbraw/zinc/04/76/53/545047653.db2.gz LKEOSCPHYJYTEK-AWEZNQCLSA-N 2 2 251.374 0.684 20 0 CCADLP O=C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)N1CCCC1 ZINC000335008706 545047654 /nfs/dbraw/zinc/04/76/54/545047654.db2.gz LKEOSCPHYJYTEK-AWEZNQCLSA-N 2 2 251.374 0.684 20 0 CCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000336631181 545051081 /nfs/dbraw/zinc/05/10/81/545051081.db2.gz CBOLUUXIDVKZLQ-GHMZBOCLSA-N 2 2 250.346 0.893 20 0 CCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000336631181 545051082 /nfs/dbraw/zinc/05/10/82/545051082.db2.gz CBOLUUXIDVKZLQ-GHMZBOCLSA-N 2 2 250.346 0.893 20 0 CCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000336631181 545051083 /nfs/dbraw/zinc/05/10/83/545051083.db2.gz CBOLUUXIDVKZLQ-GHMZBOCLSA-N 2 2 250.346 0.893 20 0 CCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000336631181 545051084 /nfs/dbraw/zinc/05/10/84/545051084.db2.gz CBOLUUXIDVKZLQ-GHMZBOCLSA-N 2 2 250.346 0.893 20 0 CCADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)[C@H]1CCOC1 ZINC000337211405 545051548 /nfs/dbraw/zinc/05/15/48/545051548.db2.gz AMXCRPVCPZFJHU-ARILJUKYSA-N 2 2 286.416 0.471 20 0 CCADLP COCC[C@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000340717563 545054676 /nfs/dbraw/zinc/05/46/76/545054676.db2.gz YXVJWFPWDGGCKV-LBPRGKRZSA-N 2 2 252.362 0.967 20 0 CCADLP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000527033999 269800901 /nfs/dbraw/zinc/80/09/01/269800901.db2.gz YOYNDPOMOLLFQM-TZMCWYRMSA-N 2 2 278.400 0.844 20 0 CCADLP CCOC[C@@H](O)C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528729423 269847887 /nfs/dbraw/zinc/84/78/87/269847887.db2.gz SXPYUQBGGFEXBU-AWEZNQCLSA-N 2 2 286.416 0.571 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCSCC[NH+]1CCOCC1 ZINC000188286090 262288804 /nfs/dbraw/zinc/28/88/04/262288804.db2.gz GEWWURXABXKDKR-ZDUSSCGKSA-N 2 2 274.430 0.773 20 0 CCADLP C[C@H]1COCC[N@H+]1CCSCC[NH+]1CCOCC1 ZINC000188286090 262288806 /nfs/dbraw/zinc/28/88/06/262288806.db2.gz GEWWURXABXKDKR-ZDUSSCGKSA-N 2 2 274.430 0.773 20 0 CCADLP COc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(C)n1 ZINC000575233658 335086078 /nfs/dbraw/zinc/08/60/78/335086078.db2.gz UHWBXNGGWJSRGP-NSHDSACASA-N 2 2 293.371 0.505 20 0 CCADLP COc1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c(C)n1 ZINC000575233658 335086079 /nfs/dbraw/zinc/08/60/79/335086079.db2.gz UHWBXNGGWJSRGP-NSHDSACASA-N 2 2 293.371 0.505 20 0 CCADLP Cc1[nH+]cc(CNCCC[N@@H+]2CCC[C@H](C(N)=O)C2)n1C ZINC000519000904 265292717 /nfs/dbraw/zinc/29/27/17/265292717.db2.gz KXTVPMIBBZZROR-ZDUSSCGKSA-N 2 2 293.415 0.406 20 0 CCADLP Cc1[nH+]cc(CNCCC[N@H+]2CCC[C@H](C(N)=O)C2)n1C ZINC000519000904 265292719 /nfs/dbraw/zinc/29/27/19/265292719.db2.gz KXTVPMIBBZZROR-ZDUSSCGKSA-N 2 2 293.415 0.406 20 0 CCADLP Cn1cc[nH+]c1CN1CCN(C(=O)CCCC[NH3+])CC1 ZINC000519643340 265513424 /nfs/dbraw/zinc/51/34/24/265513424.db2.gz MEBLHLDLFMHLBG-UHFFFAOYSA-N 2 2 279.388 0.193 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cnn(CC(F)(F)F)c2)C1 ZINC000358166962 545079613 /nfs/dbraw/zinc/07/96/13/545079613.db2.gz PLVDVKZZODDFKL-NSHDSACASA-N 2 2 292.305 0.602 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cnn(CC(F)(F)F)c2)C1 ZINC000358166962 545079614 /nfs/dbraw/zinc/07/96/14/545079614.db2.gz PLVDVKZZODDFKL-NSHDSACASA-N 2 2 292.305 0.602 20 0 CCADLP CCS(=O)(=O)NCCC[N@@H+]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000420337228 280019879 /nfs/dbraw/zinc/01/98/79/280019879.db2.gz MZGAMQBPMOJEFK-VXGBXAGGSA-N 2 2 277.434 0.375 20 0 CCADLP CCS(=O)(=O)NCCC[N@H+]1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000420337228 280019880 /nfs/dbraw/zinc/01/98/80/280019880.db2.gz MZGAMQBPMOJEFK-VXGBXAGGSA-N 2 2 277.434 0.375 20 0 CCADLP CC[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)[C@H](O)C(F)F ZINC000419707423 273751928 /nfs/dbraw/zinc/75/19/28/273751928.db2.gz FPFRVMHINFZLEA-UWVGGRQHSA-N 2 2 276.331 0.980 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000414748893 275902717 /nfs/dbraw/zinc/90/27/17/275902717.db2.gz VHAYCKSQAZSAPO-DOMZBBRYSA-N 2 2 296.415 0.670 20 0 CCADLP CC[N@@H+]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000336173514 276163133 /nfs/dbraw/zinc/16/31/33/276163133.db2.gz WIBXSARSIVQVAZ-CYBMUJFWSA-N 2 2 276.384 1.000 20 0 CCADLP CC[N@H+]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000336173514 276163134 /nfs/dbraw/zinc/16/31/34/276163134.db2.gz WIBXSARSIVQVAZ-CYBMUJFWSA-N 2 2 276.384 1.000 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](O)C2)CC1 ZINC000357575094 276381671 /nfs/dbraw/zinc/38/16/71/276381671.db2.gz WLTULCWTLXHPPA-IHRRRGAJSA-N 2 2 283.416 0.242 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@@H](O)C2)CC1 ZINC000357575094 276381672 /nfs/dbraw/zinc/38/16/72/276381672.db2.gz WLTULCWTLXHPPA-IHRRRGAJSA-N 2 2 283.416 0.242 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427846709 276389060 /nfs/dbraw/zinc/38/90/60/276389060.db2.gz IPRRJTLVQNGTTH-WDEREUQCSA-N 2 2 271.386 0.611 20 0 CCADLP C[NH+](C)C[C@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CCO1 ZINC000328938426 276804962 /nfs/dbraw/zinc/80/49/62/276804962.db2.gz GSNCOYGHAVFQMY-OCCSQVGLSA-N 2 2 292.383 0.235 20 0 CCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)/C=C/c3[nH]cc[nH+]3)[C@@H]2C1 ZINC000493115085 277139277 /nfs/dbraw/zinc/13/92/77/277139277.db2.gz IBZIEHHSDJBVDH-JGLYPNHGSA-N 2 2 260.341 0.976 20 0 CCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)/C=C/c3[nH]cc[nH+]3)[C@@H]2C1 ZINC000493115085 277139280 /nfs/dbraw/zinc/13/92/80/277139280.db2.gz IBZIEHHSDJBVDH-JGLYPNHGSA-N 2 2 260.341 0.976 20 0 CCADLP C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@H]2C1 ZINC000427784197 277196940 /nfs/dbraw/zinc/19/69/40/277196940.db2.gz XUEIHVTYGQPHMC-UPJWGTAASA-N 2 2 274.368 0.466 20 0 CCADLP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@H]2C1 ZINC000427784197 277196941 /nfs/dbraw/zinc/19/69/41/277196941.db2.gz XUEIHVTYGQPHMC-UPJWGTAASA-N 2 2 274.368 0.466 20 0 CCADLP CNC(=O)C1CC[NH+](Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000331166146 277223815 /nfs/dbraw/zinc/22/38/15/277223815.db2.gz YEYBUCWDBFIKRI-UHFFFAOYSA-N 2 2 279.388 0.444 20 0 CCADLP CC(=O)N[C@@H]1CCCN(C(=O)C[NH2+][C@](C)(C[NH3+])C(C)C)C1 ZINC000430567942 278142722 /nfs/dbraw/zinc/14/27/22/278142722.db2.gz BPERPYOGVDJICS-UKRRQHHQSA-N 2 2 298.431 0.077 20 0 CCADLP CS[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1[NH+](C)C ZINC000330753896 278148769 /nfs/dbraw/zinc/14/87/69/278148769.db2.gz DXBMYXHQAYWCKW-NWDGAFQWSA-N 2 2 282.413 0.846 20 0 CCADLP CS[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1[NH+](C)C ZINC000330753896 278148770 /nfs/dbraw/zinc/14/87/70/278148770.db2.gz DXBMYXHQAYWCKW-NWDGAFQWSA-N 2 2 282.413 0.846 20 0 CCADLP CS[C@H](CO)[C@H](C)[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422973774 278159981 /nfs/dbraw/zinc/15/99/81/278159981.db2.gz CQWYXEHYROHANL-SQNXGDPESA-N 2 2 274.430 0.455 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000376150552 278293145 /nfs/dbraw/zinc/29/31/45/278293145.db2.gz LZUIWEPWNQRUEF-NSHDSACASA-N 2 2 285.413 0.785 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[C@H]([NH+]3CC=CC3)C2)nc[nH+]1 ZINC000298810008 278296040 /nfs/dbraw/zinc/29/60/40/278296040.db2.gz FVUDDHVYSAYCLS-STQMWFEESA-N 2 2 289.383 0.720 20 0 CCADLP CCN(C)C(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374323665 279018128 /nfs/dbraw/zinc/01/81/28/279018128.db2.gz ISYWPUKUKYPKPU-HUUCEWRRSA-N 2 2 296.459 0.423 20 0 CCADLP CCN(C)C(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374323665 279018130 /nfs/dbraw/zinc/01/81/30/279018130.db2.gz ISYWPUKUKYPKPU-HUUCEWRRSA-N 2 2 296.459 0.423 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)N2CCn3cc[nH+]c3C2)CCC[N@@H+]1C ZINC000345735824 279091265 /nfs/dbraw/zinc/09/12/65/279091265.db2.gz DBTCRUZYTQXOTI-NEPJUHHUSA-N 2 2 277.372 0.891 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)N2CCn3cc[nH+]c3C2)CCC[N@H+]1C ZINC000345735824 279091267 /nfs/dbraw/zinc/09/12/67/279091267.db2.gz DBTCRUZYTQXOTI-NEPJUHHUSA-N 2 2 277.372 0.891 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C1 ZINC000174223330 279136133 /nfs/dbraw/zinc/13/61/33/279136133.db2.gz AGDMKVFIKJYGOV-NWDGAFQWSA-N 2 2 284.404 0.494 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NC)C1 ZINC000174223330 279136134 /nfs/dbraw/zinc/13/61/34/279136134.db2.gz AGDMKVFIKJYGOV-NWDGAFQWSA-N 2 2 284.404 0.494 20 0 CCADLP C[C@@]1(C[NH3+])CC[N@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000261905671 279158422 /nfs/dbraw/zinc/15/84/22/279158422.db2.gz WZPJQSWFNMSWFB-AWEZNQCLSA-N 2 2 297.424 0.636 20 0 CCADLP C[C@@]1(C[NH3+])CC[N@@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000261905671 279158425 /nfs/dbraw/zinc/15/84/25/279158425.db2.gz WZPJQSWFNMSWFB-AWEZNQCLSA-N 2 2 297.424 0.636 20 0 CCADLP CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352525607 279337424 /nfs/dbraw/zinc/33/74/24/279337424.db2.gz HNBGNZYJPZKQQU-KGLIPLIRSA-N 2 2 282.432 0.221 20 0 CCADLP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000358738663 279353612 /nfs/dbraw/zinc/35/36/12/279353612.db2.gz AYBUNTVWGGOHIP-OCCSQVGLSA-N 2 2 277.416 0.633 20 0 CCADLP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000358738663 279353614 /nfs/dbraw/zinc/35/36/14/279353614.db2.gz AYBUNTVWGGOHIP-OCCSQVGLSA-N 2 2 277.416 0.633 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H]1CN(C)CC[NH+]1C ZINC000357778458 279367944 /nfs/dbraw/zinc/36/79/44/279367944.db2.gz ICRQAMOFKFNXSS-KGLIPLIRSA-N 2 2 299.463 0.260 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@H]1CN(C)CC[NH+]1C ZINC000357778458 279367945 /nfs/dbraw/zinc/36/79/45/279367945.db2.gz ICRQAMOFKFNXSS-KGLIPLIRSA-N 2 2 299.463 0.260 20 0 CCADLP CC(C)[NH+](C)C[C@@H](C)NC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000357778458 279367948 /nfs/dbraw/zinc/36/79/48/279367948.db2.gz ICRQAMOFKFNXSS-KGLIPLIRSA-N 2 2 299.463 0.260 20 0 CCADLP CC(C)[NH+](C)C[C@@H](C)NC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000357778458 279367949 /nfs/dbraw/zinc/36/79/49/279367949.db2.gz ICRQAMOFKFNXSS-KGLIPLIRSA-N 2 2 299.463 0.260 20 0 CCADLP C[C@H]1[C@@H](NC(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3C)CCC[N@@H+]1C ZINC000413442280 280104355 /nfs/dbraw/zinc/10/43/55/280104355.db2.gz QGEPMJUANQZLAG-FQUUOJAGSA-N 2 2 296.415 0.194 20 0 CCADLP C[C@H]1[C@@H](NC(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3C)CCC[N@H+]1C ZINC000413442280 280104357 /nfs/dbraw/zinc/10/43/57/280104357.db2.gz QGEPMJUANQZLAG-FQUUOJAGSA-N 2 2 296.415 0.194 20 0 CCADLP C[C@H]1[C@@H](NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)CCC[NH+]1C ZINC000413442280 280104358 /nfs/dbraw/zinc/10/43/58/280104358.db2.gz QGEPMJUANQZLAG-FQUUOJAGSA-N 2 2 296.415 0.194 20 0 CCADLP C[C@H]1[C@@H](NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)CCC[NH+]1C ZINC000413442280 280104360 /nfs/dbraw/zinc/10/43/60/280104360.db2.gz QGEPMJUANQZLAG-FQUUOJAGSA-N 2 2 296.415 0.194 20 0 CCADLP O=C([C@H]1CCCO1)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346833778 280132946 /nfs/dbraw/zinc/13/29/46/280132946.db2.gz MPAHTPSUQRCNPD-UONOGXRCSA-N 2 2 281.400 0.309 20 0 CCADLP CC[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422922243 280196866 /nfs/dbraw/zinc/19/68/66/280196866.db2.gz SHCJLXXWHRWLBD-UHTWSYAYSA-N 2 2 251.374 0.870 20 0 CCADLP CC[C@H](C(=O)NCC1([NH+]2CCOCC2)CC1)[NH+](C)C ZINC000434380209 280674798 /nfs/dbraw/zinc/67/47/98/280674798.db2.gz QFMNGLAPKGXZGI-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000417500454 281284644 /nfs/dbraw/zinc/28/46/44/281284644.db2.gz HIWUKJUMTDAFRE-ZDUSSCGKSA-N 2 2 298.431 0.620 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000417500454 281284648 /nfs/dbraw/zinc/28/46/48/281284648.db2.gz HIWUKJUMTDAFRE-ZDUSSCGKSA-N 2 2 298.431 0.620 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2CCOC[C@H]2C)C[C@@H](C)[NH+]1C ZINC000339617441 288346297 /nfs/dbraw/zinc/34/62/97/288346297.db2.gz OEIOKYVFMJGKIN-MGPQQGTHSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2CCOC[C@H]2C)C[C@@H](C)[NH+]1C ZINC000339617441 288346298 /nfs/dbraw/zinc/34/62/98/288346298.db2.gz OEIOKYVFMJGKIN-MGPQQGTHSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000263178957 288347550 /nfs/dbraw/zinc/34/75/50/288347550.db2.gz GMNWYBNZRLCCDA-VNHYZAJKSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000263178957 288347551 /nfs/dbraw/zinc/34/75/51/288347551.db2.gz GMNWYBNZRLCCDA-VNHYZAJKSA-N 2 2 283.416 0.731 20 0 CCADLP C[NH+](C)C/C=C\C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000492862034 282021862 /nfs/dbraw/zinc/02/18/62/282021862.db2.gz IGOQYCYXLMCHCD-CIUCYMIDSA-N 2 2 267.373 0.036 20 0 CCADLP C[NH+](C)C/C=C\C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000492862034 282021864 /nfs/dbraw/zinc/02/18/64/282021864.db2.gz IGOQYCYXLMCHCD-CIUCYMIDSA-N 2 2 267.373 0.036 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000261921198 282072682 /nfs/dbraw/zinc/07/26/82/282072682.db2.gz ZMKPIRMWNCTVGA-CYBMUJFWSA-N 2 2 284.448 0.504 20 0 CCADLP CN(C)S(=O)(=O)CC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000230993404 289249414 /nfs/dbraw/zinc/24/94/14/289249414.db2.gz MNVMUXVCPAAOGI-STQMWFEESA-N 2 2 283.397 0.612 20 0 CCADLP C[C@H](C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000423967157 289268681 /nfs/dbraw/zinc/26/86/81/289268681.db2.gz HBTQNNIAPIOUSQ-QLFBSQMISA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000422974174 289735805 /nfs/dbraw/zinc/73/58/05/289735805.db2.gz DILYHZPYDHUKFZ-MCIONIFRSA-N 3 2 257.422 0.809 20 0 CCADLP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000422774804 293096245 /nfs/dbraw/zinc/09/62/45/293096245.db2.gz YMZGJJIOVWGIOL-LSDHHAIUSA-N 3 2 287.448 0.687 20 0 CCADLP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000422774804 293096247 /nfs/dbraw/zinc/09/62/47/293096247.db2.gz YMZGJJIOVWGIOL-LSDHHAIUSA-N 3 2 287.448 0.687 20 0 CCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359309816 298121196 /nfs/dbraw/zinc/12/11/96/298121196.db2.gz QEBIBBVFCTUESS-GMTAPVOTSA-N 2 2 282.388 0.150 20 0 CCADLP C[C@H](CC(N)=O)[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000267238533 298350731 /nfs/dbraw/zinc/35/07/31/298350731.db2.gz MLFYIVUGJYTLOE-GFCCVEGCSA-N 2 2 275.396 0.939 20 0 CCADLP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000423147181 298391120 /nfs/dbraw/zinc/39/11/20/298391120.db2.gz RICVJSOIMZWWFU-KGLIPLIRSA-N 3 2 257.422 0.940 20 0 CCADLP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000423147181 298391121 /nfs/dbraw/zinc/39/11/21/298391121.db2.gz RICVJSOIMZWWFU-KGLIPLIRSA-N 3 2 257.422 0.940 20 0 CCADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)CCn1cc[nH+]c1 ZINC000275441062 300243322 /nfs/dbraw/zinc/24/33/22/300243322.db2.gz MFPLVTJEAQZGEH-ZDUSSCGKSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)CCn1cc[nH+]c1 ZINC000275441062 300243325 /nfs/dbraw/zinc/24/33/25/300243325.db2.gz MFPLVTJEAQZGEH-ZDUSSCGKSA-N 2 2 294.399 0.577 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(F)(F)[C@H](CO)C1 ZINC000404074696 545091189 /nfs/dbraw/zinc/09/11/89/545091189.db2.gz XOYADBUBDJEKIL-NWDGAFQWSA-N 2 2 280.359 0.637 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(F)(F)[C@H](CO)C1 ZINC000404074696 545091190 /nfs/dbraw/zinc/09/11/90/545091190.db2.gz XOYADBUBDJEKIL-NWDGAFQWSA-N 2 2 280.359 0.637 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000404074696 545091191 /nfs/dbraw/zinc/09/11/91/545091191.db2.gz XOYADBUBDJEKIL-NWDGAFQWSA-N 2 2 280.359 0.637 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000404074696 545091192 /nfs/dbraw/zinc/09/11/92/545091192.db2.gz XOYADBUBDJEKIL-NWDGAFQWSA-N 2 2 280.359 0.637 20 0 CCADLP Cc1[nH+]cc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)n1C ZINC000570816613 327622138 /nfs/dbraw/zinc/62/21/38/327622138.db2.gz RXGUZDUMIKUBBF-NWDGAFQWSA-N 2 2 253.346 0.463 20 0 CCADLP COCC[NH2+]CC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000582242299 328845268 /nfs/dbraw/zinc/84/52/68/328845268.db2.gz XMASTYWEOMTUPF-UHFFFAOYSA-N 2 2 280.372 0.414 20 0 CCADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC[NH+]1CCOCC1 ZINC000387611501 327791781 /nfs/dbraw/zinc/79/17/81/327791781.db2.gz YURFRUFOYKCCTM-LBPRGKRZSA-N 2 2 271.405 0.459 20 0 CCADLP C[C@H]([NH3+])[C@H](C)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000570963109 327965528 /nfs/dbraw/zinc/96/55/28/327965528.db2.gz PYJANTXAKRVYJR-STQMWFEESA-N 2 2 291.395 0.984 20 0 CCADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000565724673 327000450 /nfs/dbraw/zinc/00/04/50/327000450.db2.gz QPQNHCSLHKXZCS-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000565724673 327000451 /nfs/dbraw/zinc/00/04/51/327000451.db2.gz QPQNHCSLHKXZCS-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000584122854 327045204 /nfs/dbraw/zinc/04/52/04/327045204.db2.gz DNAMGOGNTKHJPA-WDEREUQCSA-N 2 2 250.346 0.799 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000584122854 327045206 /nfs/dbraw/zinc/04/52/06/327045206.db2.gz DNAMGOGNTKHJPA-WDEREUQCSA-N 2 2 250.346 0.799 20 0 CCADLP O=C(NCC[C@H]1CC[NH2+]C1)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000584162390 327053818 /nfs/dbraw/zinc/05/38/18/327053818.db2.gz JCBJYURAAMBFMP-MCIONIFRSA-N 2 2 296.415 0.148 20 0 CCADLP O=C(NCC[C@H]1CC[NH2+]C1)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000584162390 327053819 /nfs/dbraw/zinc/05/38/19/327053819.db2.gz JCBJYURAAMBFMP-MCIONIFRSA-N 2 2 296.415 0.148 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CC(C)(C)CCO)C[C@@H](C)O1 ZINC000584172829 327057283 /nfs/dbraw/zinc/05/72/83/327057283.db2.gz HJZNOJFQNFJWGS-MCIONIFRSA-N 2 2 288.432 0.455 20 0 CCADLP CC[C@H]([NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H](C)O ZINC000584173158 327057432 /nfs/dbraw/zinc/05/74/32/327057432.db2.gz WPRWQWFGQQSLSN-BJJPWKGXSA-N 2 2 274.405 0.206 20 0 CCADLP CC[C@H]([NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H](C)O ZINC000584173158 327057434 /nfs/dbraw/zinc/05/74/34/327057434.db2.gz WPRWQWFGQQSLSN-BJJPWKGXSA-N 2 2 274.405 0.206 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)NCc1[nH+]ccn1C ZINC000565877969 327066499 /nfs/dbraw/zinc/06/64/99/327066499.db2.gz LHOHCSRJPKXIMY-NSHDSACASA-N 2 2 265.361 0.656 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCc1[nH+]ccn1C ZINC000565877969 327066500 /nfs/dbraw/zinc/06/65/00/327066500.db2.gz LHOHCSRJPKXIMY-NSHDSACASA-N 2 2 265.361 0.656 20 0 CCADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](C[C@H]2CCCNC2=O)CC1 ZINC000574050748 327285697 /nfs/dbraw/zinc/28/56/97/327285697.db2.gz KOSUGSMISQLJJZ-UONOGXRCSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H]1COCC[N@H+]1C1CC[NH+](C[C@H]2CCCNC2=O)CC1 ZINC000574050748 327285698 /nfs/dbraw/zinc/28/56/98/327285698.db2.gz KOSUGSMISQLJJZ-UONOGXRCSA-N 2 2 295.427 0.698 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)n1 ZINC000583381962 327335439 /nfs/dbraw/zinc/33/54/39/327335439.db2.gz YGGWFQXJZMMIHW-ZJUUUORDSA-N 2 2 266.345 0.874 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)n1 ZINC000583381962 327335441 /nfs/dbraw/zinc/33/54/41/327335441.db2.gz YGGWFQXJZMMIHW-ZJUUUORDSA-N 2 2 266.345 0.874 20 0 CCADLP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@@H](O)C[NH+](C)C)c1 ZINC000574878653 327391009 /nfs/dbraw/zinc/39/10/09/327391009.db2.gz VTVNRLKOUNLSNJ-HUUCEWRRSA-N 2 2 296.411 0.555 20 0 CCADLP COC(=O)C[C@H]([NH3+])C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000572996750 327561231 /nfs/dbraw/zinc/56/12/31/327561231.db2.gz LVVDEXGLZNZEFV-UWVGGRQHSA-N 2 2 280.328 0.006 20 0 CCADLP C[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)[C@H]1CCCC[NH2+]1 ZINC000582354513 328968433 /nfs/dbraw/zinc/96/84/33/328968433.db2.gz WNFOZMZNPMKSIW-VXGBXAGGSA-N 2 2 291.461 0.825 20 0 CCADLP CC1(C)C[NH+](CC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000582497561 329102214 /nfs/dbraw/zinc/10/22/14/329102214.db2.gz VUCBWWGRPMCBRB-BETUJISGSA-N 2 2 281.400 0.308 20 0 CCADLP CC1(C)C[NH+](CC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000582497561 329102215 /nfs/dbraw/zinc/10/22/15/329102215.db2.gz VUCBWWGRPMCBRB-BETUJISGSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@H](CC(=O)NCC[N@@H+]1CCO[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000582668093 329122056 /nfs/dbraw/zinc/12/20/56/329122056.db2.gz MAYWEZOVEOLWFL-KFWWJZLASA-N 2 2 297.443 0.849 20 0 CCADLP C[C@H](CC(=O)NCC[N@H+]1CCO[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000582668093 329122058 /nfs/dbraw/zinc/12/20/58/329122058.db2.gz MAYWEZOVEOLWFL-KFWWJZLASA-N 2 2 297.443 0.849 20 0 CCADLP CCn1cc[nH+]c1CN1CC[NH2+]C[C@@H]1c1nccn1C ZINC000583204798 329364464 /nfs/dbraw/zinc/36/44/64/329364464.db2.gz VLDVLWBEKGZCOR-GFCCVEGCSA-N 2 2 274.372 0.783 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000580432066 330131893 /nfs/dbraw/zinc/13/18/93/330131893.db2.gz QGYWORHQZZLCOS-FZMZJTMJSA-N 2 2 282.388 0.296 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000580432066 330131894 /nfs/dbraw/zinc/13/18/94/330131894.db2.gz QGYWORHQZZLCOS-FZMZJTMJSA-N 2 2 282.388 0.296 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NCCc2c[nH+]cn2C)C1 ZINC000575879819 335127772 /nfs/dbraw/zinc/12/77/72/335127772.db2.gz ANJKQPQYPAXOGJ-LLVKDONJSA-N 2 2 250.346 0.421 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NCCc2c[nH+]cn2C)C1 ZINC000575879819 335127774 /nfs/dbraw/zinc/12/77/74/335127774.db2.gz ANJKQPQYPAXOGJ-LLVKDONJSA-N 2 2 250.346 0.421 20 0 CCADLP C[C@@H]1Cc2[nH+]cn(C[C@H](O)C[NH+]3CCOCC3)c2C[C@@H]1C ZINC000314355925 334786005 /nfs/dbraw/zinc/78/60/05/334786005.db2.gz OVFCDCHGGLEHGK-HZSPNIEDSA-N 2 2 293.411 0.947 20 0 CCADLP C[C@@H]1Cc2[nH+]cn(C[C@@H](O)C[NH+]3CCOCC3)c2C[C@H]1C ZINC000314355926 334786043 /nfs/dbraw/zinc/78/60/43/334786043.db2.gz OVFCDCHGGLEHGK-MCIONIFRSA-N 2 2 293.411 0.947 20 0 CCADLP CO[C@@H]1CC[N@H+](CCOC[C@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000576280415 335182260 /nfs/dbraw/zinc/18/22/60/335182260.db2.gz UWXKMZJBGHBORJ-MGPQQGTHSA-N 2 2 272.389 0.620 20 0 CCADLP CO[C@@H]1CC[N@@H+](CCOC[C@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000576280415 335182262 /nfs/dbraw/zinc/18/22/62/335182262.db2.gz UWXKMZJBGHBORJ-MGPQQGTHSA-N 2 2 272.389 0.620 20 0 CCADLP COc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c(F)c1 ZINC000576997526 335275750 /nfs/dbraw/zinc/27/57/50/335275750.db2.gz PUMNOQRRYYNUBD-CQSZACIVSA-N 2 2 268.332 0.991 20 0 CCADLP COc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c(F)c1 ZINC000576997526 335275752 /nfs/dbraw/zinc/27/57/52/335275752.db2.gz PUMNOQRRYYNUBD-CQSZACIVSA-N 2 2 268.332 0.991 20 0 CCADLP COc1c(N)[nH+]cnc1NC[C@@H](CC(C)C)[NH+](C)C ZINC000577124054 335304780 /nfs/dbraw/zinc/30/47/80/335304780.db2.gz FIUUTOFYRZTHKW-SNVBAGLBSA-N 2 2 267.377 0.878 20 0 CCADLP CN(C(=O)C1CC[NH+](CC(F)F)CC1)C1CC([NH3+])C1 ZINC000577632607 335383122 /nfs/dbraw/zinc/38/31/22/335383122.db2.gz UMTCIDNURKDLGH-UHFFFAOYSA-N 2 2 275.343 0.912 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC000577645996 335385150 /nfs/dbraw/zinc/38/51/50/335385150.db2.gz BRLDJALUARUHCB-NWDGAFQWSA-N 2 2 262.357 0.830 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCOC[C@@H]1CCCO1 ZINC000578617089 335654095 /nfs/dbraw/zinc/65/40/95/335654095.db2.gz UKKZRNNIRAMYQX-RDBSUJKOSA-N 2 2 272.389 0.539 20 0 CCADLP NC(=O)[C@]1([NH2+]CCC[NH+]2CCCCC2)CCOC1 ZINC000579369422 335741049 /nfs/dbraw/zinc/74/10/49/335741049.db2.gz BZJVDPSURRPHPO-ZDUSSCGKSA-N 2 2 255.362 0.096 20 0 CCADLP C[C@H](O)C[C@H](C)[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000579473468 335767821 /nfs/dbraw/zinc/76/78/21/335767821.db2.gz WMOOWKFTSGKZBD-PEDHHIEDSA-N 2 2 274.405 0.206 20 0 CCADLP C[C@H](C(=O)N(C)CCCn1cc[nH+]c1)C1C[NH2+]C1 ZINC000579589959 335815201 /nfs/dbraw/zinc/81/52/01/335815201.db2.gz YIHVGTNBKXVOGJ-NSHDSACASA-N 2 2 250.346 0.587 20 0 CCADLP C[C@]1(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CCC[NH2+]1 ZINC000580776370 335965517 /nfs/dbraw/zinc/96/55/17/335965517.db2.gz SCYHJBLFALADBP-CQSZACIVSA-N 2 2 277.372 0.196 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CCO1 ZINC000581075035 336004829 /nfs/dbraw/zinc/00/48/29/336004829.db2.gz OVXNPRFASAIVCG-IJEWVQPXSA-N 2 2 295.427 0.603 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CCO1 ZINC000581075035 336004830 /nfs/dbraw/zinc/00/48/30/336004830.db2.gz OVXNPRFASAIVCG-IJEWVQPXSA-N 2 2 295.427 0.603 20 0 CCADLP C[C@H](C(=O)NCC[N@@H+]1CCCOCC1)[NH+]1CC(C)C1 ZINC000581080018 336005549 /nfs/dbraw/zinc/00/55/49/336005549.db2.gz JGUOISFWPJKWEO-CYBMUJFWSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H](C(=O)NCC[N@H+]1CCCOCC1)[NH+]1CC(C)C1 ZINC000581080018 336005550 /nfs/dbraw/zinc/00/55/50/336005550.db2.gz JGUOISFWPJKWEO-CYBMUJFWSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[C@@]3(CC[NH2+]C3)C2)CCO1 ZINC000581132786 336013285 /nfs/dbraw/zinc/01/32/85/336013285.db2.gz QCCYTAUDEGZJGZ-ZIAGYGMSSA-N 2 2 253.390 0.393 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[C@@]3(CC[NH2+]C3)C2)CCO1 ZINC000581132786 336013287 /nfs/dbraw/zinc/01/32/87/336013287.db2.gz QCCYTAUDEGZJGZ-ZIAGYGMSSA-N 2 2 253.390 0.393 20 0 CCADLP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000581486319 336087731 /nfs/dbraw/zinc/08/77/31/336087731.db2.gz FTQJEWFZJZEJEG-VXGBXAGGSA-N 2 2 277.372 0.052 20 0 CCADLP COc1c(N)[nH+]cnc1NCc1c[nH+]c2n1CCCC2 ZINC000581499680 336090745 /nfs/dbraw/zinc/09/07/45/336090745.db2.gz OMBXQCUKIJYXIX-UHFFFAOYSA-N 2 2 274.328 0.634 20 0 CCADLP CC(C)C[C@H](CNC(=O)[C@H](C)[NH2+]C1CC1)[NH+]1CCOCC1 ZINC000382992414 336101236 /nfs/dbraw/zinc/10/12/36/336101236.db2.gz YVEORMSQMRTSOD-DZGCQCFKSA-N 2 2 297.443 0.990 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+] ZINC000581656598 336118669 /nfs/dbraw/zinc/11/86/69/336118669.db2.gz RVNJJOPZFXPRQA-KGLIPLIRSA-N 3 2 297.447 0.145 20 0 CCADLP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000581656598 336118670 /nfs/dbraw/zinc/11/86/70/336118670.db2.gz RVNJJOPZFXPRQA-KGLIPLIRSA-N 3 2 297.447 0.145 20 0 CCADLP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000581656598 336118672 /nfs/dbraw/zinc/11/86/72/336118672.db2.gz RVNJJOPZFXPRQA-KGLIPLIRSA-N 3 2 297.447 0.145 20 0 CCADLP C[C@@H](CC(=O)N[C@H](CC[NH3+])C(F)F)n1cc[nH+]c1 ZINC000581674211 336126284 /nfs/dbraw/zinc/12/62/84/336126284.db2.gz VOMXZLNPBRHJDS-DTWKUNHWSA-N 2 2 260.288 0.933 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](CO)C1CCCC1 ZINC000386193005 336167911 /nfs/dbraw/zinc/16/79/11/336167911.db2.gz DRNKPNFFMCFWOM-XBFCOCLRSA-N 2 2 256.390 0.894 20 0 CCADLP CC(C)(C)N1C[C@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1=O ZINC000581937919 336172725 /nfs/dbraw/zinc/17/27/25/336172725.db2.gz DLJFYXOIBMQOMH-VNHYZAJKSA-N 2 2 295.427 0.742 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000449116843 533797749 /nfs/dbraw/zinc/79/77/49/533797749.db2.gz MMCQKVALCWQJRK-NSHDSACASA-N 2 2 269.389 0.354 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000449116843 533797760 /nfs/dbraw/zinc/79/77/60/533797760.db2.gz MMCQKVALCWQJRK-NSHDSACASA-N 2 2 269.389 0.354 20 0 CCADLP C[NH2+]CCN(C)C(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000417813039 545094296 /nfs/dbraw/zinc/09/42/96/545094296.db2.gz QMBAQVJQTNOYNU-LLVKDONJSA-N 2 2 257.284 0.642 20 0 CCADLP C[C@H](CCC[NH3+])NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000423697320 533865671 /nfs/dbraw/zinc/86/56/71/533865671.db2.gz ZDJKMQSVHFDQBC-OCCSQVGLSA-N 2 2 283.416 0.873 20 0 CCADLP C[C@H](CCC[NH3+])NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000423697320 533865674 /nfs/dbraw/zinc/86/56/74/533865674.db2.gz ZDJKMQSVHFDQBC-OCCSQVGLSA-N 2 2 283.416 0.873 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000333844554 534094167 /nfs/dbraw/zinc/09/41/67/534094167.db2.gz VWGPPHHNGHOHMB-CHWSQXEVSA-N 2 2 296.415 0.148 20 0 CCADLP CC[N@@H+](CCOC)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000343645304 535749975 /nfs/dbraw/zinc/74/99/75/535749975.db2.gz KBRGABMRLIXRKN-CYBMUJFWSA-N 2 2 271.405 0.507 20 0 CCADLP C[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@H]1[NH3+] ZINC000416815009 534309970 /nfs/dbraw/zinc/30/99/70/534309970.db2.gz HHLDZTWLKWNRAD-VXGBXAGGSA-N 2 2 284.404 0.086 20 0 CCADLP C[C@@H]1CN(Cc2[nH+]ccn2C)C[C@H](C)[N@H+]1CCO ZINC000449534269 534475363 /nfs/dbraw/zinc/47/53/63/534475363.db2.gz MDBMSSMOVBJISE-TXEJJXNPSA-N 2 2 252.362 0.307 20 0 CCADLP C[C@@H]1CN(Cc2[nH+]ccn2C)C[C@H](C)[N@@H+]1CCO ZINC000449534269 534475368 /nfs/dbraw/zinc/47/53/68/534475368.db2.gz MDBMSSMOVBJISE-TXEJJXNPSA-N 2 2 252.362 0.307 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1CC1 ZINC000070264284 522814033 /nfs/dbraw/zinc/81/40/33/522814033.db2.gz QJAKZGDEPQFCHT-UHFFFAOYSA-N 2 2 253.390 0.881 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1CC1 ZINC000070264284 522814043 /nfs/dbraw/zinc/81/40/43/522814043.db2.gz QJAKZGDEPQFCHT-UHFFFAOYSA-N 2 2 253.390 0.881 20 0 CCADLP COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150773859 523199687 /nfs/dbraw/zinc/19/96/87/523199687.db2.gz GTRYDZFABTWHMK-CHWSQXEVSA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)CNC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150773859 523199695 /nfs/dbraw/zinc/19/96/95/523199695.db2.gz GTRYDZFABTWHMK-CHWSQXEVSA-N 2 2 297.399 0.082 20 0 CCADLP [NH3+][C@H](C(=O)NC[C@H]1CCC[NH2+]1)c1c(F)cccc1F ZINC000417783657 534718187 /nfs/dbraw/zinc/71/81/87/534718187.db2.gz NJOOUDJESFHHHY-PELKAZGASA-N 2 2 269.295 0.833 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)NCc1c[nH+]cn1C ZINC000357985326 523582191 /nfs/dbraw/zinc/58/21/91/523582191.db2.gz JRAOIBJSAFTMSE-UHFFFAOYSA-N 2 2 283.376 0.188 20 0 CCADLP COCC[N@@H+](C)CCCNC(=O)NCc1c[nH+]cn1C ZINC000357985326 523582196 /nfs/dbraw/zinc/58/21/96/523582196.db2.gz JRAOIBJSAFTMSE-UHFFFAOYSA-N 2 2 283.376 0.188 20 0 CCADLP CC[C@H](C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1)[NH+](C)C ZINC000184944092 523763502 /nfs/dbraw/zinc/76/35/02/523763502.db2.gz LZURUSHILYSFPF-CYBMUJFWSA-N 2 2 291.399 0.774 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@H](C)[NH2+]C3CC3)CC2)cc[nH+]1 ZINC000423781540 534754042 /nfs/dbraw/zinc/75/40/42/534754042.db2.gz KXGAZOLHJAFBHZ-NSHDSACASA-N 2 2 289.383 0.574 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000156746692 524849529 /nfs/dbraw/zinc/84/95/29/524849529.db2.gz DJECNKFRHVJEOC-QWRGUYRKSA-N 2 2 257.378 0.197 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000156630620 525015444 /nfs/dbraw/zinc/01/54/44/525015444.db2.gz HUHHPBLTVCKVFC-QWHCGFSZSA-N 2 2 276.384 0.709 20 0 CCADLP CSCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000157333288 525581314 /nfs/dbraw/zinc/58/13/14/525581314.db2.gz SHVIKJBOAHRQHB-NEPJUHHUSA-N 2 2 287.429 0.046 20 0 CCADLP CSCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000157333288 525581321 /nfs/dbraw/zinc/58/13/21/525581321.db2.gz SHVIKJBOAHRQHB-NEPJUHHUSA-N 2 2 287.429 0.046 20 0 CCADLP Cc1nnccc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000666698856 545128523 /nfs/dbraw/zinc/12/85/23/545128523.db2.gz CBDPHELHMWYOLK-UHFFFAOYSA-N 2 2 294.403 0.790 20 0 CCADLP Cc1nnccc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000666698856 545128524 /nfs/dbraw/zinc/12/85/24/545128524.db2.gz CBDPHELHMWYOLK-UHFFFAOYSA-N 2 2 294.403 0.790 20 0 CCADLP [NH3+]C[C@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000061610882 527223258 /nfs/dbraw/zinc/22/32/58/527223258.db2.gz WXEBWUPTQHAFGW-AWEZNQCLSA-N 2 2 277.368 0.177 20 0 CCADLP CC[N@H+](CCO)CCNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000667251777 545142350 /nfs/dbraw/zinc/14/23/50/545142350.db2.gz UKNZNDRPZPLUQN-LLVKDONJSA-N 2 2 283.376 0.095 20 0 CCADLP CC[N@@H+](CCO)CCNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000667251777 545142351 /nfs/dbraw/zinc/14/23/51/545142351.db2.gz UKNZNDRPZPLUQN-LLVKDONJSA-N 2 2 283.376 0.095 20 0 CCADLP Cc1cnn(C)c1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000667452756 545147821 /nfs/dbraw/zinc/14/78/21/545147821.db2.gz RLKGXXCEHJTLIJ-UHFFFAOYSA-N 2 2 296.419 0.734 20 0 CCADLP Cc1cnn(C)c1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000667452756 545147822 /nfs/dbraw/zinc/14/78/22/545147822.db2.gz RLKGXXCEHJTLIJ-UHFFFAOYSA-N 2 2 296.419 0.734 20 0 CCADLP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667512480 545148788 /nfs/dbraw/zinc/14/87/88/545148788.db2.gz GRGGPIFDTAQJBA-GHMZBOCLSA-N 2 2 262.357 0.915 20 0 CCADLP C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667512480 545148789 /nfs/dbraw/zinc/14/87/89/545148789.db2.gz GRGGPIFDTAQJBA-GHMZBOCLSA-N 2 2 262.357 0.915 20 0 CCADLP CCOCC[NH+]1CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000667495987 545148895 /nfs/dbraw/zinc/14/88/95/545148895.db2.gz DUHCBOJNPQWPFH-UHFFFAOYSA-N 2 2 278.400 0.983 20 0 CCADLP Cc1[nH+]cc(CN(C)CC[NH+]2CCOCC2)n1C ZINC000667587799 545150220 /nfs/dbraw/zinc/15/02/20/545150220.db2.gz DGAPXZVZBHOSSB-UHFFFAOYSA-N 2 2 252.362 0.493 20 0 CCADLP Cn1nc2c(cc1=O)C[N@@H+](Cc1c[nH+]c3n1CCC3)CC2 ZINC000667677331 545153376 /nfs/dbraw/zinc/15/33/76/545153376.db2.gz OXKGCMPMGKPBSJ-UHFFFAOYSA-N 2 2 285.351 0.481 20 0 CCADLP Cn1nc2c(cc1=O)C[N@H+](Cc1c[nH+]c3n1CCC3)CC2 ZINC000667677331 545153377 /nfs/dbraw/zinc/15/33/77/545153377.db2.gz OXKGCMPMGKPBSJ-UHFFFAOYSA-N 2 2 285.351 0.481 20 0 CCADLP c1ncn([C@H]2CC[N@@H+](Cc3c[nH+]c4n3CCC4)C2)n1 ZINC000668007683 545161016 /nfs/dbraw/zinc/16/10/16/545161016.db2.gz BAZAURZOJCRIFC-NSHDSACASA-N 2 2 258.329 0.868 20 0 CCADLP c1ncn([C@H]2CC[N@H+](Cc3c[nH+]c4n3CCC4)C2)n1 ZINC000668007683 545161017 /nfs/dbraw/zinc/16/10/17/545161017.db2.gz BAZAURZOJCRIFC-NSHDSACASA-N 2 2 258.329 0.868 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(Cc2c[nH+]c3n2CCC3)[C@@H](C)C1 ZINC000668093690 545163164 /nfs/dbraw/zinc/16/31/64/545163164.db2.gz QWXSPZKICZPMGJ-QWHCGFSZSA-N 2 2 278.400 0.716 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(Cc2c[nH+]c3n2CCC3)[C@@H](C)C1 ZINC000668093690 545163165 /nfs/dbraw/zinc/16/31/65/545163165.db2.gz QWXSPZKICZPMGJ-QWHCGFSZSA-N 2 2 278.400 0.716 20 0 CCADLP C[NH+](C)CCCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000668681524 545187032 /nfs/dbraw/zinc/18/70/32/545187032.db2.gz YGBKWZGPVPGBFH-LBPRGKRZSA-N 2 2 264.373 0.904 20 0 CCADLP CN1CCC[N@H+](CCCNC(=O)C2([NH+](C)C)CC2)CC1 ZINC000668697411 545187795 /nfs/dbraw/zinc/18/77/95/545187795.db2.gz FLLRQSJLZKCSAE-UHFFFAOYSA-N 2 2 282.432 0.224 20 0 CCADLP CN1CCC[N@@H+](CCCNC(=O)C2([NH+](C)C)CC2)CC1 ZINC000668697411 545187796 /nfs/dbraw/zinc/18/77/96/545187796.db2.gz FLLRQSJLZKCSAE-UHFFFAOYSA-N 2 2 282.432 0.224 20 0 CCADLP C[C@@H]([NH3+])CNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000668992992 545196965 /nfs/dbraw/zinc/19/69/65/545196965.db2.gz VNUYOYMWQNFJFY-SNVBAGLBSA-N 2 2 261.329 0.523 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+][C@@H]2CCc3nc(COC)nn3C2)[C@@H](C)C1 ZINC000358286978 527991884 /nfs/dbraw/zinc/99/18/84/527991884.db2.gz MIZPAQTYTNHPID-XQQFMLRXSA-N 2 2 293.415 0.669 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+][C@@H]2CCc3nc(COC)nn3C2)[C@@H](C)C1 ZINC000358286978 527991891 /nfs/dbraw/zinc/99/18/91/527991891.db2.gz MIZPAQTYTNHPID-XQQFMLRXSA-N 2 2 293.415 0.669 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000669185090 545201761 /nfs/dbraw/zinc/20/17/61/545201761.db2.gz AQYOPRJPPAXXII-GFCCVEGCSA-N 2 2 294.399 0.599 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000669185090 545201762 /nfs/dbraw/zinc/20/17/62/545201762.db2.gz AQYOPRJPPAXXII-GFCCVEGCSA-N 2 2 294.399 0.599 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000669185090 545201763 /nfs/dbraw/zinc/20/17/63/545201763.db2.gz AQYOPRJPPAXXII-GFCCVEGCSA-N 2 2 294.399 0.599 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000669185090 545201764 /nfs/dbraw/zinc/20/17/64/545201764.db2.gz AQYOPRJPPAXXII-GFCCVEGCSA-N 2 2 294.399 0.599 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)NCC[NH2+]C1CC1 ZINC000669457100 545208572 /nfs/dbraw/zinc/20/85/72/545208572.db2.gz MJXZSSUTVCFEPI-UHFFFAOYSA-N 2 2 284.404 0.148 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)NCC[NH2+]C1CC1 ZINC000669457100 545208573 /nfs/dbraw/zinc/20/85/73/545208573.db2.gz MJXZSSUTVCFEPI-UHFFFAOYSA-N 2 2 284.404 0.148 20 0 CCADLP CCOC(=O)c1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)o1 ZINC000358252881 528221815 /nfs/dbraw/zinc/22/18/15/528221815.db2.gz FENXWJHBQVEZMK-CQSZACIVSA-N 2 2 282.340 0.613 20 0 CCADLP CCOC(=O)c1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)o1 ZINC000358252881 528221816 /nfs/dbraw/zinc/22/18/16/528221816.db2.gz FENXWJHBQVEZMK-CQSZACIVSA-N 2 2 282.340 0.613 20 0 CCADLP O=C(NC[C@@H]1CCCC[NH2+]1)NCC1([NH+]2CCOCC2)CC1 ZINC000669571072 545215290 /nfs/dbraw/zinc/21/52/90/545215290.db2.gz FGNOJZMWSSBVNC-ZDUSSCGKSA-N 2 2 296.415 0.293 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@H]2CCC(F)(F)C2)[C@@H](C[NH3+])C1 ZINC000669576340 545215434 /nfs/dbraw/zinc/21/54/34/545215434.db2.gz QGTCJZDWKYUCFF-QWRGUYRKSA-N 2 2 290.358 0.706 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@H]2CCC(F)(F)C2)[C@@H](C[NH3+])C1 ZINC000669576340 545215435 /nfs/dbraw/zinc/21/54/35/545215435.db2.gz QGTCJZDWKYUCFF-QWRGUYRKSA-N 2 2 290.358 0.706 20 0 CCADLP CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000418203098 528303507 /nfs/dbraw/zinc/30/35/07/528303507.db2.gz DBKAQKHECWRWDG-GXTWGEPZSA-N 2 2 298.431 0.522 20 0 CCADLP CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000418203098 528303511 /nfs/dbraw/zinc/30/35/11/528303511.db2.gz DBKAQKHECWRWDG-GXTWGEPZSA-N 2 2 298.431 0.522 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCC23CCC3)CC1 ZINC000669699125 545219638 /nfs/dbraw/zinc/21/96/38/545219638.db2.gz OLCAAXPFDQPNLV-LBPRGKRZSA-N 2 2 251.374 0.683 20 0 CCADLP CCCC[N@H+](C)CCNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000413130033 528349826 /nfs/dbraw/zinc/34/98/26/528349826.db2.gz CHGZPHMZYZIMPB-GFCCVEGCSA-N 2 2 281.404 0.835 20 0 CCADLP CCCC[N@@H+](C)CCNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000413130033 528349831 /nfs/dbraw/zinc/34/98/31/528349831.db2.gz CHGZPHMZYZIMPB-GFCCVEGCSA-N 2 2 281.404 0.835 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000417919389 528416628 /nfs/dbraw/zinc/41/66/28/528416628.db2.gz FZXDPFHSMJYZOO-OLZOCXBDSA-N 2 2 291.399 0.958 20 0 CCADLP CC(C)[C@@H](C[NH3+])C(=O)N(C)CC[NH+]1CCOCC1 ZINC000423739576 528439303 /nfs/dbraw/zinc/43/93/03/528439303.db2.gz GBMOXMXFKTXUCP-GFCCVEGCSA-N 2 2 257.378 0.008 20 0 CCADLP CCN1CC[C@H]([NH2+]C2CC[NH+](CCOC)CC2)C1=O ZINC000670160730 545229967 /nfs/dbraw/zinc/22/99/67/545229967.db2.gz RNYIHPRMEYQZRA-ZDUSSCGKSA-N 2 2 269.389 0.308 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC ZINC000423603003 528483250 /nfs/dbraw/zinc/48/32/50/528483250.db2.gz GQCGXRLDTZZDPC-OLZOCXBDSA-N 2 2 271.405 0.602 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC ZINC000423603003 528483253 /nfs/dbraw/zinc/48/32/53/528483253.db2.gz GQCGXRLDTZZDPC-OLZOCXBDSA-N 2 2 271.405 0.602 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000423861649 528536382 /nfs/dbraw/zinc/53/63/82/528536382.db2.gz CZTLOZGNWQGOLD-STQMWFEESA-N 2 2 293.415 0.623 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000449118704 528539350 /nfs/dbraw/zinc/53/93/50/528539350.db2.gz ZGQAHZPXISKITI-LBPRGKRZSA-N 2 2 271.405 0.602 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000449118704 528539354 /nfs/dbraw/zinc/53/93/54/528539354.db2.gz ZGQAHZPXISKITI-LBPRGKRZSA-N 2 2 271.405 0.602 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449656906 528540488 /nfs/dbraw/zinc/54/04/88/528540488.db2.gz MWINZJYSPPCDLP-UWVGGRQHSA-N 2 2 263.332 0.736 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449647962 528550494 /nfs/dbraw/zinc/55/04/94/528550494.db2.gz QZGYAVRCSAJKAW-UWVGGRQHSA-N 2 2 263.332 0.721 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000449125883 528551718 /nfs/dbraw/zinc/55/17/18/528551718.db2.gz RZRKYOJVEFVUMC-CYBMUJFWSA-N 2 2 293.415 0.452 20 0 CCADLP CC[N@H+](CC(=O)N[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000672145321 545262955 /nfs/dbraw/zinc/26/29/55/545262955.db2.gz FCQJULGBASBSDK-LLVKDONJSA-N 2 2 262.357 0.798 20 0 CCADLP CC[N@@H+](CC(=O)N[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000672145321 545262956 /nfs/dbraw/zinc/26/29/56/545262956.db2.gz FCQJULGBASBSDK-LLVKDONJSA-N 2 2 262.357 0.798 20 0 CCADLP CC(C)[NH+]1CCC([NH2+]C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000358263317 529001825 /nfs/dbraw/zinc/00/18/25/529001825.db2.gz XQYHAXYRIGSKHP-CQSZACIVSA-N 3 2 255.406 0.515 20 0 CCADLP CC(C)[NH+]1CCC([NH2+]C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000358263317 529001830 /nfs/dbraw/zinc/00/18/30/529001830.db2.gz XQYHAXYRIGSKHP-CQSZACIVSA-N 3 2 255.406 0.515 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000418417967 529057915 /nfs/dbraw/zinc/05/79/15/529057915.db2.gz XBLPZVZPYLJOOD-MELADBBJSA-N 2 2 298.431 0.474 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449649818 529213435 /nfs/dbraw/zinc/21/34/35/529213435.db2.gz XTLWAWHNWPUTBM-LPEHRKFASA-N 2 2 263.332 0.721 20 0 CCADLP CC[C@H]1C[N@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@@H]1O ZINC000425342763 529297983 /nfs/dbraw/zinc/29/79/83/529297983.db2.gz ZYAKNRMCSOTRMR-JQWIXIFHSA-N 2 2 252.362 0.689 20 0 CCADLP CC[C@H]1C[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@@H]1O ZINC000425342763 529297985 /nfs/dbraw/zinc/29/79/85/529297985.db2.gz ZYAKNRMCSOTRMR-JQWIXIFHSA-N 2 2 252.362 0.689 20 0 CCADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000357104336 534982494 /nfs/dbraw/zinc/98/24/94/534982494.db2.gz VDFHQOWVCWNDKJ-HUUCEWRRSA-N 2 2 297.443 0.896 20 0 CCADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000357104336 534982500 /nfs/dbraw/zinc/98/25/00/534982500.db2.gz VDFHQOWVCWNDKJ-HUUCEWRRSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@@H](C(=O)N1CCC(n2cc[nH+]c2)CC1)[NH+](C)C ZINC000674288167 545302567 /nfs/dbraw/zinc/30/25/67/545302567.db2.gz OBOQJOSVXMNDQQ-NSHDSACASA-N 2 2 250.346 0.997 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000342118015 535161390 /nfs/dbraw/zinc/16/13/90/535161390.db2.gz ZXIGPXZKFGQFTD-SNVBAGLBSA-N 2 2 270.377 0.328 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]C[C@H]2CNc3ccnn3C2)[C@@H](C)C1 ZINC000674885144 545317142 /nfs/dbraw/zinc/31/71/42/545317142.db2.gz YZAYIYOWDBSZPV-AVGNSLFASA-N 2 2 263.389 0.855 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]C[C@H]2CNc3ccnn3C2)[C@@H](C)C1 ZINC000674885144 545317143 /nfs/dbraw/zinc/31/71/43/545317143.db2.gz YZAYIYOWDBSZPV-AVGNSLFASA-N 2 2 263.389 0.855 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000674882573 545317329 /nfs/dbraw/zinc/31/73/29/545317329.db2.gz RGXRJICSSOIPAL-IJEWVQPXSA-N 3 2 280.460 0.695 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000674882573 545317330 /nfs/dbraw/zinc/31/73/30/545317330.db2.gz RGXRJICSSOIPAL-IJEWVQPXSA-N 3 2 280.460 0.695 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000674881155 545317371 /nfs/dbraw/zinc/31/73/71/545317371.db2.gz YPDMUZYHGVAHOY-XBFCOCLRSA-N 2 2 278.400 0.793 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000674881155 545317372 /nfs/dbraw/zinc/31/73/72/545317372.db2.gz YPDMUZYHGVAHOY-XBFCOCLRSA-N 2 2 278.400 0.793 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261660900 535276262 /nfs/dbraw/zinc/27/62/62/535276262.db2.gz IGJXTVDUXAJHFV-GWCFXTLKSA-N 2 2 270.377 0.280 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261660900 535276267 /nfs/dbraw/zinc/27/62/67/535276267.db2.gz IGJXTVDUXAJHFV-GWCFXTLKSA-N 2 2 270.377 0.280 20 0 CCADLP CC[NH2+]CCNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC000377127310 535465529 /nfs/dbraw/zinc/46/55/29/535465529.db2.gz MGQAEAMXCYPACJ-UHFFFAOYSA-N 2 2 267.398 0.832 20 0 CCADLP CC[NH2+]CCNC(=O)C[N@H+]1CCc2sccc2C1 ZINC000377127310 535465531 /nfs/dbraw/zinc/46/55/31/535465531.db2.gz MGQAEAMXCYPACJ-UHFFFAOYSA-N 2 2 267.398 0.832 20 0 CCADLP CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263081086 535535196 /nfs/dbraw/zinc/53/51/96/535535196.db2.gz XMAGLCGUUJQCRY-NXEZZACHSA-N 2 2 261.316 0.584 20 0 CCADLP CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263081086 535535198 /nfs/dbraw/zinc/53/51/98/535535198.db2.gz XMAGLCGUUJQCRY-NXEZZACHSA-N 2 2 261.316 0.584 20 0 CCADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@H](C)Cn2cc[nH+]c2)C1(C)C ZINC000253361114 535535743 /nfs/dbraw/zinc/53/57/43/535535743.db2.gz BYCPKSXIKJZATQ-JMSVASOKSA-N 2 2 294.399 0.920 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccn(C)n2)CC1 ZINC000459769848 535641289 /nfs/dbraw/zinc/64/12/89/535641289.db2.gz AMZKLUQQNYJGHX-OLZOCXBDSA-N 2 2 293.415 0.623 20 0 CCADLP C[N@@H+]1CCC[C@H](N2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000676702017 545349515 /nfs/dbraw/zinc/34/95/15/545349515.db2.gz OGDAZEBGCXCGJU-HNNXBMFYSA-N 2 2 294.443 0.321 20 0 CCADLP C[N@H+]1CCC[C@H](N2CC[NH+](CC(=O)N3CCCC3)CC2)C1 ZINC000676702017 545349516 /nfs/dbraw/zinc/34/95/16/545349516.db2.gz OGDAZEBGCXCGJU-HNNXBMFYSA-N 2 2 294.443 0.321 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000676905419 545355029 /nfs/dbraw/zinc/35/50/29/545355029.db2.gz LOCVUNNANXBZTA-CQSZACIVSA-N 2 2 292.383 0.596 20 0 CCADLP CCC[C@H]1C[NH2+]CCN1C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000359203859 535743385 /nfs/dbraw/zinc/74/33/85/535743385.db2.gz CYWRQTXQVQVOIH-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP CC[N@H+](CCOC)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000343645304 535749966 /nfs/dbraw/zinc/74/99/66/535749966.db2.gz KBRGABMRLIXRKN-CYBMUJFWSA-N 2 2 271.405 0.507 20 0 CCADLP CCN1CC[NH+](CCC(=O)N2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC000677182830 545360275 /nfs/dbraw/zinc/36/02/75/545360275.db2.gz MFFMZQJJYVXRSB-OAHLLOKOSA-N 2 2 296.459 0.567 20 0 CCADLP CCN1CC[NH+](CCC(=O)N2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC000677182830 545360276 /nfs/dbraw/zinc/36/02/76/545360276.db2.gz MFFMZQJJYVXRSB-OAHLLOKOSA-N 2 2 296.459 0.567 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CC2CCOCC2)CC1 ZINC000678079802 545383987 /nfs/dbraw/zinc/38/39/87/545383987.db2.gz DKHQLTYVFPMNHF-OAHLLOKOSA-N 2 2 295.427 0.827 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CC2CCOCC2)CC1 ZINC000678079802 545383988 /nfs/dbraw/zinc/38/39/88/545383988.db2.gz DKHQLTYVFPMNHF-OAHLLOKOSA-N 2 2 295.427 0.827 20 0 CCADLP C[C@@H]1C[N@H+](Cc2cn[nH]c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000678286451 545388414 /nfs/dbraw/zinc/38/84/14/545388414.db2.gz XHSAURALBWPXFL-UKRRQHHQSA-N 2 2 277.416 0.868 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2cn[nH]c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000678286451 545388415 /nfs/dbraw/zinc/38/84/15/545388415.db2.gz XHSAURALBWPXFL-UKRRQHHQSA-N 2 2 277.416 0.868 20 0 CCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000678413260 545391432 /nfs/dbraw/zinc/39/14/32/545391432.db2.gz FLVABEUBFLGIDS-NSHDSACASA-N 2 2 280.347 0.645 20 0 CCADLP C[NH2+][C@@H](C)CNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000261621746 536343200 /nfs/dbraw/zinc/34/32/00/536343200.db2.gz BJZDZABZPRVVCL-ZDUSSCGKSA-N 2 2 291.395 0.857 20 0 CCADLP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000679340690 545407517 /nfs/dbraw/zinc/40/75/17/545407517.db2.gz PQWPZPIBOXQUNF-ZYHUDNBSSA-N 2 2 251.378 0.615 20 0 CCADLP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000679340690 545407518 /nfs/dbraw/zinc/40/75/18/545407518.db2.gz PQWPZPIBOXQUNF-ZYHUDNBSSA-N 2 2 251.378 0.615 20 0 CCADLP COC[C@@H]([NH3+])C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000263257526 536663101 /nfs/dbraw/zinc/66/31/01/536663101.db2.gz RGWCFGHVZNAIQJ-SNVBAGLBSA-N 2 2 282.731 0.578 20 0 CCADLP NC(=O)c1c[nH+]ccc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000680827037 545435142 /nfs/dbraw/zinc/43/51/42/545435142.db2.gz AZVFQGJQSWRFKQ-GFCCVEGCSA-N 2 2 290.367 0.482 20 0 CCADLP CC(C)[C@](C)(O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681189681 545444955 /nfs/dbraw/zinc/44/49/55/545444955.db2.gz WPIRIIUAXXIEAE-BBRMVZONSA-N 2 2 297.443 0.678 20 0 CCADLP CC(C)[C@](C)(O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681189681 545444956 /nfs/dbraw/zinc/44/49/56/545444956.db2.gz WPIRIIUAXXIEAE-BBRMVZONSA-N 2 2 297.443 0.678 20 0 CCADLP C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000681582429 545457034 /nfs/dbraw/zinc/45/70/34/545457034.db2.gz RTGHRRWENNFGLA-STQMWFEESA-N 2 2 276.384 0.904 20 0 CCADLP C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000681582429 545457035 /nfs/dbraw/zinc/45/70/35/545457035.db2.gz RTGHRRWENNFGLA-STQMWFEESA-N 2 2 276.384 0.904 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682460321 545479541 /nfs/dbraw/zinc/47/95/41/545479541.db2.gz QBOHXNQTWRBCJY-NEPJUHHUSA-N 2 2 273.340 0.847 20 0 CCADLP C[C@@H]1CC[N@H+](CCNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000682506809 545481250 /nfs/dbraw/zinc/48/12/50/545481250.db2.gz GSCYYJMTGUKRMU-OLZOCXBDSA-N 2 2 276.384 0.904 20 0 CCADLP C[C@@H]1CC[N@@H+](CCNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000682506809 545481251 /nfs/dbraw/zinc/48/12/51/545481251.db2.gz GSCYYJMTGUKRMU-OLZOCXBDSA-N 2 2 276.384 0.904 20 0 CCADLP C[C@H](c1nnnn1C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000682523556 545481968 /nfs/dbraw/zinc/48/19/68/545481968.db2.gz WLDVXMOATNBDDT-MNOVXSKESA-N 2 2 261.333 0.805 20 0 CCADLP C[C@H](c1nnnn1C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000682523556 545481969 /nfs/dbraw/zinc/48/19/69/545481969.db2.gz WLDVXMOATNBDDT-MNOVXSKESA-N 2 2 261.333 0.805 20 0 CCADLP C[N@@H+]1CCC[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000683386062 545516297 /nfs/dbraw/zinc/51/62/97/545516297.db2.gz IZDYHCJCWNLENY-CYBMUJFWSA-N 2 2 296.415 0.245 20 0 CCADLP C[N@H+]1CCC[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000683386062 545516302 /nfs/dbraw/zinc/51/63/02/545516302.db2.gz IZDYHCJCWNLENY-CYBMUJFWSA-N 2 2 296.415 0.245 20 0 CCADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(S(N)(=O)=O)cc1 ZINC000685609985 545844223 /nfs/dbraw/zinc/84/42/23/545844223.db2.gz FFYUDNSGMHKBKC-UHFFFAOYSA-N 2 2 285.413 0.718 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(S(N)(=O)=O)cc1 ZINC000685609985 545844225 /nfs/dbraw/zinc/84/42/25/545844225.db2.gz FFYUDNSGMHKBKC-UHFFFAOYSA-N 2 2 285.413 0.718 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@H+](CN2CCC3(CCOCC3)C2=O)C1 ZINC000777537443 581119273 /nfs/dbraw/zinc/11/92/73/581119273.db2.gz RITRQWXRVRJIMA-AWEZNQCLSA-N 2 2 295.427 0.857 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@@H+](CN2CCC3(CCOCC3)C2=O)C1 ZINC000777537443 581119275 /nfs/dbraw/zinc/11/92/75/581119275.db2.gz RITRQWXRVRJIMA-AWEZNQCLSA-N 2 2 295.427 0.857 20 0 CCADLP C[C@H]1C[N@H+](CC2OCCO2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000777715576 581131390 /nfs/dbraw/zinc/13/13/90/581131390.db2.gz CDUQKNGZJKCYFN-KBPBESRZSA-N 2 2 283.416 0.317 20 0 CCADLP C[C@H]1C[N@@H+](CC2OCCO2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000777715576 581131391 /nfs/dbraw/zinc/13/13/91/581131391.db2.gz CDUQKNGZJKCYFN-KBPBESRZSA-N 2 2 283.416 0.317 20 0 CCADLP C[C@H](C[NH2+]CCC(=O)NC(N)=O)[NH+]1CCCCC1 ZINC000725842730 581148810 /nfs/dbraw/zinc/14/88/10/581148810.db2.gz SQYDLEMYIKOBKB-SNVBAGLBSA-N 2 2 256.350 0.035 20 0 CCADLP O=C(CC[NH+]1CCOCC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000726161875 581230981 /nfs/dbraw/zinc/23/09/81/581230981.db2.gz GTIPJECAXYNSQC-UHFFFAOYSA-N 2 2 292.383 0.769 20 0 CCADLP COC(=O)/C(C)=C/C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000748817696 581283646 /nfs/dbraw/zinc/28/36/46/581283646.db2.gz QLHBBAIJOCDTBN-SXSSENBOSA-N 2 2 295.427 0.818 20 0 CCADLP COC(=O)/C(C)=C/C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000748817696 581283649 /nfs/dbraw/zinc/28/36/49/581283649.db2.gz QLHBBAIJOCDTBN-SXSSENBOSA-N 2 2 295.427 0.818 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CC(=O)N(C)C[C@H]1C ZINC000782590737 581310599 /nfs/dbraw/zinc/31/05/99/581310599.db2.gz GMFOTWGVUJNXBX-LLVKDONJSA-N 2 2 250.346 0.744 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CC(=O)N(C)C[C@H]1C ZINC000782590737 581310600 /nfs/dbraw/zinc/31/06/00/581310600.db2.gz GMFOTWGVUJNXBX-LLVKDONJSA-N 2 2 250.346 0.744 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)CCO1 ZINC000796461610 581441713 /nfs/dbraw/zinc/44/17/13/581441713.db2.gz QHGUANRSQDVLFJ-JKXDFHQYSA-N 2 2 295.427 0.791 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)CCO1 ZINC000796461610 581441714 /nfs/dbraw/zinc/44/17/14/581441714.db2.gz QHGUANRSQDVLFJ-JKXDFHQYSA-N 2 2 295.427 0.791 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCO1 ZINC000796461610 581441717 /nfs/dbraw/zinc/44/17/17/581441717.db2.gz QHGUANRSQDVLFJ-JKXDFHQYSA-N 2 2 295.427 0.791 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC000796461610 581441718 /nfs/dbraw/zinc/44/17/18/581441718.db2.gz QHGUANRSQDVLFJ-JKXDFHQYSA-N 2 2 295.427 0.791 20 0 CCADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)[C@H]1CCC(=O)NC1=O ZINC000796676423 581447955 /nfs/dbraw/zinc/44/79/55/581447955.db2.gz RAMMQYCSBLVLAM-ZDUSSCGKSA-N 2 2 293.367 0.839 20 0 CCADLP C[NH+](CCC[N@H+](C)Cc1ccco1)[C@H]1CCC(=O)NC1=O ZINC000796676423 581447956 /nfs/dbraw/zinc/44/79/56/581447956.db2.gz RAMMQYCSBLVLAM-ZDUSSCGKSA-N 2 2 293.367 0.839 20 0 CCADLP C[NH+](CCC[N@H+](C)[C@H]1CCC(=O)NC1=O)Cc1ccco1 ZINC000796676423 581447958 /nfs/dbraw/zinc/44/79/58/581447958.db2.gz RAMMQYCSBLVLAM-ZDUSSCGKSA-N 2 2 293.367 0.839 20 0 CCADLP C[NH+](CCC[N@@H+](C)[C@H]1CCC(=O)NC1=O)Cc1ccco1 ZINC000796676423 581447960 /nfs/dbraw/zinc/44/79/60/581447960.db2.gz RAMMQYCSBLVLAM-ZDUSSCGKSA-N 2 2 293.367 0.839 20 0 CCADLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ncc[nH]1 ZINC000796771648 581450069 /nfs/dbraw/zinc/45/00/69/581450069.db2.gz LQDPIWKGJIUHFE-KGLIPLIRSA-N 2 2 293.415 0.467 20 0 CCADLP CO[C@@H]1CC(=O)N(C[N@H+](C)CCCn2cc[nH+]c2C)C1 ZINC000787225701 581461133 /nfs/dbraw/zinc/46/11/33/581461133.db2.gz RDKNXUXLLLEWNB-CYBMUJFWSA-N 2 2 280.372 0.718 20 0 CCADLP CO[C@@H]1CC(=O)N(C[N@@H+](C)CCCn2cc[nH+]c2C)C1 ZINC000787225701 581461135 /nfs/dbraw/zinc/46/11/35/581461135.db2.gz RDKNXUXLLLEWNB-CYBMUJFWSA-N 2 2 280.372 0.718 20 0 CCADLP c1cc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)co1 ZINC000734509512 581569412 /nfs/dbraw/zinc/56/94/12/581569412.db2.gz LHNBBWQCKWMLFN-OAHLLOKOSA-N 2 2 279.384 0.776 20 0 CCADLP CCC1(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)COC1 ZINC000755366218 581637661 /nfs/dbraw/zinc/63/76/61/581637661.db2.gz KWXBRNSVOSMFLW-CYBMUJFWSA-N 2 2 295.427 0.698 20 0 CCADLP CCC1(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)COC1 ZINC000755366218 581637663 /nfs/dbraw/zinc/63/76/63/581637663.db2.gz KWXBRNSVOSMFLW-CYBMUJFWSA-N 2 2 295.427 0.698 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=S)NCC[NH+](C)C)C1 ZINC000755396123 581638976 /nfs/dbraw/zinc/63/89/76/581638976.db2.gz FNLQQWXHEUBFOC-LLVKDONJSA-N 2 2 281.429 0.646 20 0 CCADLP CCOC(=O)/C=C\C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000756093525 581656565 /nfs/dbraw/zinc/65/65/65/581656565.db2.gz NSXCSOOMEYYWGF-NQHOJNORSA-N 2 2 282.384 0.760 20 0 CCADLP CCOC(=O)/C=C\C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000756093525 581656567 /nfs/dbraw/zinc/65/65/67/581656567.db2.gz NSXCSOOMEYYWGF-NQHOJNORSA-N 2 2 282.384 0.760 20 0 CCADLP OCC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccco1 ZINC000769219224 581677628 /nfs/dbraw/zinc/67/76/28/581677628.db2.gz ALLYOYZONISSIB-OLZOCXBDSA-N 2 2 268.357 0.749 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000769230829 581678862 /nfs/dbraw/zinc/67/88/62/581678862.db2.gz VCRMGZOUWYDGCB-OAHLLOKOSA-N 2 2 298.427 0.715 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000769230829 581678863 /nfs/dbraw/zinc/67/88/63/581678863.db2.gz VCRMGZOUWYDGCB-OAHLLOKOSA-N 2 2 298.427 0.715 20 0 CCADLP CC(C)(C)[N@@H+](CC(N)=O)C[C@@H](O)C[NH+]1CCCC1 ZINC000769941353 581716295 /nfs/dbraw/zinc/71/62/95/581716295.db2.gz FAMOSRLOGJKBBL-NSHDSACASA-N 2 2 257.378 0.029 20 0 CCADLP CC(C)(C)[N@H+](CC(N)=O)C[C@@H](O)C[NH+]1CCCC1 ZINC000769941353 581716297 /nfs/dbraw/zinc/71/62/97/581716297.db2.gz FAMOSRLOGJKBBL-NSHDSACASA-N 2 2 257.378 0.029 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC2OCCO2)C1 ZINC000770038372 581727093 /nfs/dbraw/zinc/72/70/93/581727093.db2.gz MLFJTHRODSBZGC-LLVKDONJSA-N 2 2 251.330 0.972 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC2OCCO2)C1 ZINC000770038372 581727096 /nfs/dbraw/zinc/72/70/96/581727096.db2.gz MLFJTHRODSBZGC-LLVKDONJSA-N 2 2 251.330 0.972 20 0 CCADLP Cc1[nH+]ccn1CCCCNC(=O)CC[NH+]1CCOCC1 ZINC000741708694 581759792 /nfs/dbraw/zinc/75/97/92/581759792.db2.gz GRTQBIUQEBJKLI-UHFFFAOYSA-N 2 2 294.399 0.810 20 0 CCADLP Cc1nc(N2CC[NH+](C[C@@H](O)C3CC3)CC2)cc[nH+]1 ZINC000742408082 581781465 /nfs/dbraw/zinc/78/14/65/581781465.db2.gz UWMSWJOLSYPDRY-CYBMUJFWSA-N 2 2 262.357 0.678 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H]3C[C@@H]32)CC1 ZINC000761086558 581887395 /nfs/dbraw/zinc/88/73/95/581887395.db2.gz DLCQLZSJZRPGEG-XQQFMLRXSA-N 2 2 251.374 0.633 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H]3C[C@@H]32)CC1 ZINC000761086558 581887397 /nfs/dbraw/zinc/88/73/97/581887397.db2.gz DLCQLZSJZRPGEG-XQQFMLRXSA-N 2 2 251.374 0.633 20 0 CCADLP O=c1[nH]ccc2c1C[N@H+](C[C@@H](O)C[NH+]1CCCC1)CC2 ZINC000755192804 581899819 /nfs/dbraw/zinc/89/98/19/581899819.db2.gz ABMUORBFIYIOJI-ZDUSSCGKSA-N 2 2 277.368 0.602 20 0 CCADLP O=c1[nH]ccc2c1C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)CC2 ZINC000755192804 581899824 /nfs/dbraw/zinc/89/98/24/581899824.db2.gz ABMUORBFIYIOJI-ZDUSSCGKSA-N 2 2 277.368 0.602 20 0 CCADLP [NH3+]CCCC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000746306276 581909858 /nfs/dbraw/zinc/90/98/58/581909858.db2.gz LIVKKOZVPVJDAO-UHFFFAOYSA-N 2 2 259.313 0.622 20 0 CCADLP NC(=O)c1c[nH+]ccc1NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000762789447 581961517 /nfs/dbraw/zinc/96/15/17/581961517.db2.gz GGFLHGVOXJEVRM-UHFFFAOYSA-N 2 2 294.318 0.795 20 0 CCADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCN1CCNC1=O)c1ccccc1 ZINC000925776965 617177520 /nfs/dbraw/zinc/17/75/20/617177520.db2.gz JMGGGJHCNMFATK-DGCLKSJQSA-N 2 2 262.357 0.690 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NCc2ccccn2)C1 ZINC000844219178 617177674 /nfs/dbraw/zinc/17/76/74/617177674.db2.gz HAVORKDOJDBSLU-CHWSQXEVSA-N 2 2 276.384 0.757 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NCc2ccccn2)C1 ZINC000844219178 617177676 /nfs/dbraw/zinc/17/76/76/617177676.db2.gz HAVORKDOJDBSLU-CHWSQXEVSA-N 2 2 276.384 0.757 20 0 CCADLP CS(=O)(=O)c1ccccc1CC[NH2+][C@H]1CC[NH2+]C1 ZINC000925830419 617190157 /nfs/dbraw/zinc/19/01/57/617190157.db2.gz QTEBHYDQFNSAES-LBPRGKRZSA-N 2 2 268.382 0.584 20 0 CCADLP CSC(C)(C)CC[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000876984544 617202787 /nfs/dbraw/zinc/20/27/87/617202787.db2.gz JDDGNSJBCXIGDE-UHFFFAOYSA-N 2 2 273.446 0.882 20 0 CCADLP CC(C)(C)[S@@](=O)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000863551499 614044194 /nfs/dbraw/zinc/04/41/94/614044194.db2.gz GDZVMHWCIYTEMD-XIKOKIGWSA-N 2 2 276.446 0.580 20 0 CCADLP CC(C)[C@@H](CNC(=O)C[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000873893030 614095297 /nfs/dbraw/zinc/09/52/97/614095297.db2.gz SPLDMBSWLHYFHW-CQSZACIVSA-N 2 2 283.416 0.555 20 0 CCADLP CC(C)[C@@H](CNC(=[NH2+])NCC(F)F)[NH+]1CCN(C)CC1 ZINC000887347062 614095177 /nfs/dbraw/zinc/09/51/77/614095177.db2.gz DQAISZMQFIDZPH-LLVKDONJSA-N 2 2 291.390 0.637 20 0 CCADLP COc1ccc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)c(C)c1 ZINC000921609425 617257158 /nfs/dbraw/zinc/25/71/58/617257158.db2.gz NLHPLHXXOSJNRX-UHFFFAOYSA-N 2 2 291.395 0.867 20 0 CCADLP COc1ccccc1[C@H]([NH3+])CNC(=O)Cc1[nH]cc[nH+]1 ZINC000911664741 617318451 /nfs/dbraw/zinc/31/84/51/617318451.db2.gz MPNZUPURWSLQLF-LLVKDONJSA-N 2 2 274.324 0.777 20 0 CCADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000876724033 613192972 /nfs/dbraw/zinc/19/29/72/613192972.db2.gz LPNFNBVCRCSACB-SZRIJTSKSA-N 2 2 281.400 0.235 20 0 CCADLP C([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@@H]1COC2(CCOCC2)O1 ZINC000925629846 613222538 /nfs/dbraw/zinc/22/25/38/613222538.db2.gz PVNDCDVOTQTTAE-CHWSQXEVSA-N 2 2 282.384 0.783 20 0 CCADLP C1CC[C@H]([NH+]2CCOCC2)[C@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925560438 613225411 /nfs/dbraw/zinc/22/54/11/613225411.db2.gz LYGPTIMESIEJEA-KFWWJZLASA-N 2 2 283.416 0.208 20 0 CCADLP C/C(=C/C(=O)N(C)CC1C[NH+](C)C1)C[NH+]1CCOCC1 ZINC000912455894 613227733 /nfs/dbraw/zinc/22/77/33/613227733.db2.gz WHIPLTXQEDGKPM-JYRVWZFOSA-N 2 2 281.400 0.285 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC[C@H]([NH2+][C@@H]2CCCOC2)C1 ZINC000883369920 613228943 /nfs/dbraw/zinc/22/89/43/613228943.db2.gz CLOQNJJAJIDNRJ-JKSUJKDBSA-N 2 2 297.443 0.552 20 0 CCADLP C(CO[C@@H]1CCOC1)[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000925873523 613230831 /nfs/dbraw/zinc/23/08/31/613230831.db2.gz AWXDPSGVTAGDLY-HZSPNIEDSA-N 2 2 270.373 0.149 20 0 CCADLP C/C(=C/C(=O)NC1(C[NH+](C)C)CCC1)C[NH+]1CCOCC1 ZINC000907962976 613235330 /nfs/dbraw/zinc/23/53/30/613235330.db2.gz DGWYCSSPYQGMHX-KAMYIIQDSA-N 2 2 295.427 0.865 20 0 CCADLP C/C(=C\C(=O)N1CC[NH2+][C@@H](C(C)C)C1)C[NH+]1CCOCC1 ZINC000912766227 613250622 /nfs/dbraw/zinc/25/06/22/613250622.db2.gz SGWWYDYCXJMPEP-YVGNARHYSA-N 2 2 295.427 0.721 20 0 CCADLP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H]3C[NH2+]CCOC3)[C@H]2C1 ZINC000925668072 613619890 /nfs/dbraw/zinc/61/98/90/613619890.db2.gz GGIATVXLUHHXRY-XGUBFFRZSA-N 2 2 281.400 0.211 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000869233154 613936203 /nfs/dbraw/zinc/93/62/03/613936203.db2.gz CKLBXBZNUHPWPG-WSNITJDQSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@H](NC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000869233154 613936205 /nfs/dbraw/zinc/93/62/05/613936205.db2.gz CKLBXBZNUHPWPG-WSNITJDQSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000911762618 613949602 /nfs/dbraw/zinc/94/96/02/613949602.db2.gz BINLXZSSZCGJAY-GFCCVEGCSA-N 2 2 264.373 0.950 20 0 CCADLP CC(C)[NH2+][C@@H](C)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC000979452460 613966045 /nfs/dbraw/zinc/96/60/45/613966045.db2.gz YRBAIZYJWGLIKD-QWHCGFSZSA-N 2 2 280.372 0.497 20 0 CCADLP CC(C)[NH2+][C@H](C)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC000979398974 613978432 /nfs/dbraw/zinc/97/84/32/613978432.db2.gz DPPBOLKJFFIOSA-DGCLKSJQSA-N 2 2 280.372 0.566 20 0 CCADLP CC(C)OCCCN1C[C@@H](c2c[nH+]cn2C)[C@H]([NH3+])C1 ZINC000864304887 614011720 /nfs/dbraw/zinc/01/17/20/614011720.db2.gz PCNJKMSNLBFUHI-CHWSQXEVSA-N 2 2 266.389 0.962 20 0 CCADLP CC(C)(CC[NH+]1CCOCC1)NC(=O)Cn1cc[nH+]c1 ZINC000912950751 614084423 /nfs/dbraw/zinc/08/44/23/614084423.db2.gz XSOFMRFXWDCDAO-UHFFFAOYSA-N 2 2 280.372 0.500 20 0 CCADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905702306 614188009 /nfs/dbraw/zinc/18/80/09/614188009.db2.gz OCDOFDYTORSTLU-KKUMJFAQSA-N 2 2 288.432 0.455 20 0 CCADLP CC(C)[C@H](O)CC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000878292212 614256678 /nfs/dbraw/zinc/25/66/78/614256678.db2.gz GUFXKKOYEQTGER-HUUCEWRRSA-N 2 2 297.443 0.808 20 0 CCADLP CC(C)[C@H](O)CC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000878292212 614256680 /nfs/dbraw/zinc/25/66/80/614256680.db2.gz GUFXKKOYEQTGER-HUUCEWRRSA-N 2 2 297.443 0.808 20 0 CCADLP CC(C)=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000969441179 614287142 /nfs/dbraw/zinc/28/71/42/614287142.db2.gz ITMXICANZGXJFQ-DZGCQCFKSA-N 2 2 295.427 0.720 20 0 CCADLP CC(C)(C)C(=O)N1CCC([NH2+][C@H]2C[NH2+]CCOC2)CC1 ZINC000925552651 614321235 /nfs/dbraw/zinc/32/12/35/614321235.db2.gz KIOCRYNQVOPOTO-ZDUSSCGKSA-N 2 2 283.416 0.602 20 0 CCADLP CCC[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000972730723 614545077 /nfs/dbraw/zinc/54/50/77/614545077.db2.gz ZEKHREZEDYTWAQ-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP CCC[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000972730723 614545080 /nfs/dbraw/zinc/54/50/80/614545080.db2.gz ZEKHREZEDYTWAQ-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP CC1(C)CC[C@@H](CNC(=O)NCCn2cc[nH+]c2)[NH2+]C1 ZINC000874433975 614557912 /nfs/dbraw/zinc/55/79/12/614557912.db2.gz WTILKSKKLJRGJM-LBPRGKRZSA-N 2 2 279.388 0.961 20 0 CCADLP CC1(C)C[N@H+](CCCO)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941129232 614637257 /nfs/dbraw/zinc/63/72/57/614637257.db2.gz FSAXMXLYEJHOIC-LBPRGKRZSA-N 2 2 294.399 0.551 20 0 CCADLP CC1(C)C[N@@H+](CCCO)CC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000941129232 614637258 /nfs/dbraw/zinc/63/72/58/614637258.db2.gz FSAXMXLYEJHOIC-LBPRGKRZSA-N 2 2 294.399 0.551 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@]23CCC[C@H]2[NH2+]CC3)CCO1 ZINC000876745213 614656694 /nfs/dbraw/zinc/65/66/94/614656694.db2.gz ARYQUDWLRPFTMO-CJNGLKHVSA-N 2 2 295.427 0.746 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@]23CCC[C@H]2[NH2+]CC3)CCO1 ZINC000876745213 614656695 /nfs/dbraw/zinc/65/66/95/614656695.db2.gz ARYQUDWLRPFTMO-CJNGLKHVSA-N 2 2 295.427 0.746 20 0 CCADLP CC1(C)C[N@H+](CCO)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941247324 614657698 /nfs/dbraw/zinc/65/76/98/614657698.db2.gz ILENKDQTSJOCRZ-LBPRGKRZSA-N 2 2 280.372 0.092 20 0 CCADLP CC1(C)C[N@@H+](CCO)CC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941247324 614657700 /nfs/dbraw/zinc/65/77/00/614657700.db2.gz ILENKDQTSJOCRZ-LBPRGKRZSA-N 2 2 280.372 0.092 20 0 CCADLP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC000925659553 614741235 /nfs/dbraw/zinc/74/12/35/614741235.db2.gz WNODOGOTNGJGOC-QWRGUYRKSA-N 2 2 279.388 0.804 20 0 CCADLP CC1(C)C[C@@H]([NH2+]Cc2nnc3n2CCOC3)C[C@@H]([NH3+])C1 ZINC000925659552 614774647 /nfs/dbraw/zinc/77/46/47/614774647.db2.gz WNODOGOTNGJGOC-MNOVXSKESA-N 2 2 279.388 0.804 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000884363394 614849334 /nfs/dbraw/zinc/84/93/34/614849334.db2.gz BVELBSWLANQZAC-BKGLOODYSA-N 2 2 267.373 0.117 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000876733450 614859973 /nfs/dbraw/zinc/85/99/73/614859973.db2.gz YGGBVCXLLCAKKJ-HZSPNIEDSA-N 2 2 295.427 0.683 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(N2CCCOC2=O)CC1 ZINC000933616899 614866513 /nfs/dbraw/zinc/86/65/13/614866513.db2.gz SCCXVVHBOBSDHW-AWEZNQCLSA-N 2 2 299.415 0.606 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(N2CCCOC2=O)CC1 ZINC000933616899 614866514 /nfs/dbraw/zinc/86/65/14/614866514.db2.gz SCCXVVHBOBSDHW-AWEZNQCLSA-N 2 2 299.415 0.606 20 0 CCADLP CC[NH+](CC)CCO[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900926533 614998714 /nfs/dbraw/zinc/99/87/14/614998714.db2.gz RURILVBSHQPMKC-AWEZNQCLSA-N 2 2 294.399 0.912 20 0 CCADLP CC[N@H+](C[C@@H](O)CO)CC1CCN(c2cccc[nH+]2)CC1 ZINC000929754319 615020370 /nfs/dbraw/zinc/02/03/70/615020370.db2.gz MIWVWNANIDEAMQ-OAHLLOKOSA-N 2 2 293.411 0.973 20 0 CCADLP CC[N@@H+](C[C@@H](O)CO)CC1CCN(c2cccc[nH+]2)CC1 ZINC000929754319 615020373 /nfs/dbraw/zinc/02/03/73/615020373.db2.gz MIWVWNANIDEAMQ-OAHLLOKOSA-N 2 2 293.411 0.973 20 0 CCADLP CCC[C@@](C)([NH2+]C[C@H]1CC2(C[NH2+]C2)CO1)C(=O)OC ZINC000923377002 615029129 /nfs/dbraw/zinc/02/91/29/615029129.db2.gz QGCDBKKKGUBWGC-DGCLKSJQSA-N 2 2 270.373 0.686 20 0 CCADLP CC[NH2+]CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000852912587 615077400 /nfs/dbraw/zinc/07/74/00/615077400.db2.gz AQQSOEPDRPNIMB-AWEZNQCLSA-N 3 2 282.432 0.223 20 0 CCADLP CC[NH2+]CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000852912587 615077401 /nfs/dbraw/zinc/07/74/01/615077401.db2.gz AQQSOEPDRPNIMB-AWEZNQCLSA-N 3 2 282.432 0.223 20 0 CCADLP CC[NH2+]C[C@@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000980709647 615091693 /nfs/dbraw/zinc/09/16/93/615091693.db2.gz YWQQXUFAMVDSAF-MNOVXSKESA-N 2 2 250.346 0.799 20 0 CCADLP CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000969994845 615095035 /nfs/dbraw/zinc/09/50/35/615095035.db2.gz AOJPXXVJDMUTNN-RYUDHWBXSA-N 2 2 276.384 0.902 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)C2([NH+]3CCOCC3)CCCC2)C1 ZINC000970153439 615117274 /nfs/dbraw/zinc/11/72/74/615117274.db2.gz QRBNYJBODCLIGY-CQSZACIVSA-N 2 2 295.427 0.842 20 0 CCADLP CC[N@@H+]1CCCN(C(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000910280097 615117859 /nfs/dbraw/zinc/11/78/59/615117859.db2.gz PXTMNDJHWFXBTC-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP CC[N@H+]1CCCN(C(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000910280097 615117860 /nfs/dbraw/zinc/11/78/60/615117860.db2.gz PXTMNDJHWFXBTC-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000969692518 615120359 /nfs/dbraw/zinc/12/03/59/615120359.db2.gz KPXZICWVCXHIAT-UKRRQHHQSA-N 2 2 295.427 0.840 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000969692518 615120360 /nfs/dbraw/zinc/12/03/60/615120360.db2.gz KPXZICWVCXHIAT-UKRRQHHQSA-N 2 2 295.427 0.840 20 0 CCADLP CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC000979356155 615129835 /nfs/dbraw/zinc/12/98/35/615129835.db2.gz YCOARRHYQXJCPC-OLZOCXBDSA-N 2 2 280.372 0.499 20 0 CCADLP CCN1CCC[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1=O ZINC000903389112 615129820 /nfs/dbraw/zinc/12/98/20/615129820.db2.gz SBZRXOQMPUSNKB-LSDHHAIUSA-N 2 2 295.427 0.840 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1CNC(=S)NCCc1cn(C)c[nH+]1 ZINC000840841345 615133157 /nfs/dbraw/zinc/13/31/57/615133157.db2.gz ADMPLPCYEPVNFC-CYBMUJFWSA-N 2 2 295.456 0.911 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CNC(=S)NCCc1cn(C)c[nH+]1 ZINC000840841345 615133158 /nfs/dbraw/zinc/13/31/58/615133158.db2.gz ADMPLPCYEPVNFC-CYBMUJFWSA-N 2 2 295.456 0.911 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H]3C[C@@H]3C2)CC1 ZINC000886328139 615152366 /nfs/dbraw/zinc/15/23/66/615152366.db2.gz ACPYTDSHXOJZNC-RWMBFGLXSA-N 2 2 251.374 0.491 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H]3C[C@@H]3C2)CC1 ZINC000886328139 615152367 /nfs/dbraw/zinc/15/23/67/615152367.db2.gz ACPYTDSHXOJZNC-RWMBFGLXSA-N 2 2 251.374 0.491 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000943767526 615213986 /nfs/dbraw/zinc/21/39/86/615213986.db2.gz XCCZYCGKUFDFBF-GHMZBOCLSA-N 2 2 250.346 0.799 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000943767526 615213989 /nfs/dbraw/zinc/21/39/89/615213989.db2.gz XCCZYCGKUFDFBF-GHMZBOCLSA-N 2 2 250.346 0.799 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879579395 615215137 /nfs/dbraw/zinc/21/51/37/615215137.db2.gz KYOKEXINMKYKMF-AGIUHOORSA-N 2 2 270.373 0.327 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879579395 615215140 /nfs/dbraw/zinc/21/51/40/615215140.db2.gz KYOKEXINMKYKMF-AGIUHOORSA-N 2 2 270.373 0.327 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879579395 615215142 /nfs/dbraw/zinc/21/51/42/615215142.db2.gz KYOKEXINMKYKMF-AGIUHOORSA-N 2 2 270.373 0.327 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879579395 615215144 /nfs/dbraw/zinc/21/51/44/615215144.db2.gz KYOKEXINMKYKMF-AGIUHOORSA-N 2 2 270.373 0.327 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000882764323 615259036 /nfs/dbraw/zinc/25/90/36/615259036.db2.gz QESNWSORVQGJSS-LLVKDONJSA-N 2 2 275.418 0.094 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000882764323 615259039 /nfs/dbraw/zinc/25/90/39/615259039.db2.gz QESNWSORVQGJSS-LLVKDONJSA-N 2 2 275.418 0.094 20 0 CCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000928578970 615286207 /nfs/dbraw/zinc/28/62/07/615286207.db2.gz OPGCTYONSMKXGE-CHWSQXEVSA-N 2 2 297.399 0.082 20 0 CCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000928578970 615286208 /nfs/dbraw/zinc/28/62/08/615286208.db2.gz OPGCTYONSMKXGE-CHWSQXEVSA-N 2 2 297.399 0.082 20 0 CCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@H]2CC[N@@H+]2C)C1 ZINC000928578970 615286210 /nfs/dbraw/zinc/28/62/10/615286210.db2.gz OPGCTYONSMKXGE-CHWSQXEVSA-N 2 2 297.399 0.082 20 0 CCADLP CCOC(=O)[C@@H]1CCC[NH+](CC(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000928578970 615286212 /nfs/dbraw/zinc/28/62/12/615286212.db2.gz OPGCTYONSMKXGE-CHWSQXEVSA-N 2 2 297.399 0.082 20 0 CCADLP CCOC(=O)[C@@H]1C[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903874460 615306483 /nfs/dbraw/zinc/30/64/83/615306483.db2.gz BEDOVBHWFZHHJT-IPYPFGDCSA-N 2 2 298.383 0.019 20 0 CCADLP CCOC(=O)[C@@H]1C[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903874460 615306486 /nfs/dbraw/zinc/30/64/86/615306486.db2.gz BEDOVBHWFZHHJT-IPYPFGDCSA-N 2 2 298.383 0.019 20 0 CCADLP CCON(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000895162195 615336830 /nfs/dbraw/zinc/33/68/30/615336830.db2.gz GEOCPYODMFFWAJ-YOGCLGLASA-N 2 2 255.362 0.611 20 0 CCADLP CCON(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000895162195 615336832 /nfs/dbraw/zinc/33/68/32/615336832.db2.gz GEOCPYODMFFWAJ-YOGCLGLASA-N 2 2 255.362 0.611 20 0 CCADLP CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C[C@@H]21 ZINC000932056306 615390746 /nfs/dbraw/zinc/39/07/46/615390746.db2.gz GSUBMTHGVAYVRX-LJISPDSOSA-N 2 2 298.427 0.819 20 0 CCADLP CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C[C@@H]21 ZINC000932056306 615390749 /nfs/dbraw/zinc/39/07/49/615390749.db2.gz GSUBMTHGVAYVRX-LJISPDSOSA-N 2 2 298.427 0.819 20 0 CCADLP CCOC(=O)[C@@H]1[C@@H]2CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C[C@@H]21 ZINC000932056306 615390753 /nfs/dbraw/zinc/39/07/53/615390753.db2.gz GSUBMTHGVAYVRX-LJISPDSOSA-N 2 2 298.427 0.819 20 0 CCADLP CCOC(=O)[C@@H]1[C@@H]2CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C[C@@H]21 ZINC000932056306 615390757 /nfs/dbraw/zinc/39/07/57/615390757.db2.gz GSUBMTHGVAYVRX-LJISPDSOSA-N 2 2 298.427 0.819 20 0 CCADLP CCO[C@H](C[N@@H+]1CCC[C@H]([NH2+]CCO)C1)C1CC1 ZINC000923410083 615480257 /nfs/dbraw/zinc/48/02/57/615480257.db2.gz WRPFJMOLTHXKGZ-UONOGXRCSA-N 2 2 256.390 0.848 20 0 CCADLP CCO[C@H](C[N@H+]1CCC[C@H]([NH2+]CCO)C1)C1CC1 ZINC000923410083 615480259 /nfs/dbraw/zinc/48/02/59/615480259.db2.gz WRPFJMOLTHXKGZ-UONOGXRCSA-N 2 2 256.390 0.848 20 0 CCADLP CCO[C@H](C[NH2+][C@@H]1C[C@@H](OCC)[C@@H]1OC)C[NH+](C)C ZINC000896880044 615484401 /nfs/dbraw/zinc/48/44/01/615484401.db2.gz LZZOOSDZAJPLIH-AAVRWANBSA-N 2 2 274.405 0.735 20 0 CCADLP CCS(=O)(=O)CCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903471196 615531139 /nfs/dbraw/zinc/53/11/39/615531139.db2.gz RNJQHXXMHNOUIR-NSHDSACASA-N 2 2 260.403 0.685 20 0 CCADLP CC[C@@H]([NH2+]Cc1cn(C2CC2)c(=O)[nH]c1=O)[C@@H]1CCC[NH2+]1 ZINC000925765570 615536331 /nfs/dbraw/zinc/53/63/31/615536331.db2.gz KXHZRKAIAAHTII-OLZOCXBDSA-N 2 2 292.383 0.904 20 0 CCADLP CC[C@@H](O)[C@H](C)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000900693336 615543177 /nfs/dbraw/zinc/54/31/77/615543177.db2.gz PSNVIWLNUCRNCW-DZGCQCFKSA-N 2 2 299.459 0.878 20 0 CCADLP CC[C@@H](O)[C@H](C)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000900693336 615543178 /nfs/dbraw/zinc/54/31/78/615543178.db2.gz PSNVIWLNUCRNCW-DZGCQCFKSA-N 2 2 299.459 0.878 20 0 CCADLP CC[C@@H]1CCN(C(=[NH2+])NCC[N@H+](C)CCOC)C1 ZINC000864456329 615553815 /nfs/dbraw/zinc/55/38/15/615553815.db2.gz GMZRHXQCYMXEPZ-GFCCVEGCSA-N 2 2 256.394 0.821 20 0 CCADLP CC[C@@H]1CCN(C(=[NH2+])NCC[N@@H+](C)CCOC)C1 ZINC000864456329 615553816 /nfs/dbraw/zinc/55/38/16/615553816.db2.gz GMZRHXQCYMXEPZ-GFCCVEGCSA-N 2 2 256.394 0.821 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](C)C[NH+](C)C ZINC000875582378 615567693 /nfs/dbraw/zinc/56/76/93/615567693.db2.gz OOVVZQDJFDMZPN-QWHCGFSZSA-N 2 2 286.420 0.347 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H](C)C[NH+](C)C ZINC000875582378 615567694 /nfs/dbraw/zinc/56/76/94/615567694.db2.gz OOVVZQDJFDMZPN-QWHCGFSZSA-N 2 2 286.420 0.347 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1CC[NH+]1C ZINC000925428362 615567801 /nfs/dbraw/zinc/56/78/01/615567801.db2.gz GLAIPUXDMXSPGB-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1CC[NH+]1C ZINC000925428362 615567802 /nfs/dbraw/zinc/56/78/02/615567802.db2.gz GLAIPUXDMXSPGB-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CC[N@@H+]1C ZINC000925428362 615567803 /nfs/dbraw/zinc/56/78/03/615567803.db2.gz GLAIPUXDMXSPGB-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CC[N@H+]1C ZINC000925428362 615567804 /nfs/dbraw/zinc/56/78/04/615567804.db2.gz GLAIPUXDMXSPGB-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000877435266 615568251 /nfs/dbraw/zinc/56/82/51/615568251.db2.gz ZOXOZMMWLFLREH-YNEHKIRRSA-N 2 2 269.389 0.211 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000877435266 615568252 /nfs/dbraw/zinc/56/82/52/615568252.db2.gz ZOXOZMMWLFLREH-YNEHKIRRSA-N 2 2 269.389 0.211 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000877435153 615579545 /nfs/dbraw/zinc/57/95/45/615579545.db2.gz XYXAFSMQVKXTOT-IHRRRGAJSA-N 2 2 283.416 0.602 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000877435153 615579546 /nfs/dbraw/zinc/57/95/46/615579546.db2.gz XYXAFSMQVKXTOT-IHRRRGAJSA-N 2 2 283.416 0.602 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)[C@@H]2CN(C)CC[NH+]2C)CC[N@@H+]1C ZINC000896533218 615585049 /nfs/dbraw/zinc/58/50/49/615585049.db2.gz GHLDDGSMQITDBV-XQLPTFJDSA-N 2 2 296.459 0.467 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)[C@@H]2CN(C)CC[NH+]2C)CC[N@H+]1C ZINC000896533218 615585050 /nfs/dbraw/zinc/58/50/50/615585050.db2.gz GHLDDGSMQITDBV-XQLPTFJDSA-N 2 2 296.459 0.467 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)CC[NH+]1C ZINC000896533218 615585051 /nfs/dbraw/zinc/58/50/51/615585051.db2.gz GHLDDGSMQITDBV-XQLPTFJDSA-N 2 2 296.459 0.467 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)CC[NH+]1C ZINC000896533218 615585052 /nfs/dbraw/zinc/58/50/52/615585052.db2.gz GHLDDGSMQITDBV-XQLPTFJDSA-N 2 2 296.459 0.467 20 0 CCADLP CC[C@H](F)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962294661 615788872 /nfs/dbraw/zinc/78/88/72/615788872.db2.gz RWBXJURWEQDNEG-MUYACECFSA-N 2 2 294.374 0.757 20 0 CCADLP CC[C@H](F)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962294661 615788875 /nfs/dbraw/zinc/78/88/75/615788875.db2.gz RWBXJURWEQDNEG-MUYACECFSA-N 2 2 294.374 0.757 20 0 CCADLP C[NH+](C)C1(C)CC[NH+](C[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000931353704 615846042 /nfs/dbraw/zinc/84/60/42/615846042.db2.gz GPESKKCASUVCKQ-ZFWWWQNUSA-N 2 2 286.416 0.305 20 0 CCADLP Cn1cc(CC[NH+]2CCC(C)([NH+](C)C)CC2)nn1 ZINC000931354012 615846077 /nfs/dbraw/zinc/84/60/77/615846077.db2.gz HGUWVNDAWOEIRD-UHFFFAOYSA-N 2 2 251.378 0.774 20 0 CCADLP C[NH+](C)CC(C)(C)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868827601 615868454 /nfs/dbraw/zinc/86/84/54/615868454.db2.gz ZIMOWWJERRVYHJ-WAYWQWQTSA-N 2 2 269.389 0.331 20 0 CCADLP C[NH+](C)CC1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000865790582 615873845 /nfs/dbraw/zinc/87/38/45/615873845.db2.gz CYRCNKIDSXZPGD-LBPRGKRZSA-N 2 2 266.345 0.243 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1n[nH]cc1F ZINC000912388423 615880244 /nfs/dbraw/zinc/88/02/44/615880244.db2.gz WPLLBVZIGIGLEY-UHFFFAOYSA-N 2 2 271.340 0.162 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1n[nH]cc1F ZINC000912388423 615880246 /nfs/dbraw/zinc/88/02/46/615880246.db2.gz WPLLBVZIGIGLEY-UHFFFAOYSA-N 2 2 271.340 0.162 20 0 CCADLP C[NH+](C)CCN(Cc1ccccn1)C(=O)Cc1c[nH+]c[nH]1 ZINC000900613235 615896642 /nfs/dbraw/zinc/89/66/42/615896642.db2.gz CMDSYGAEBFYLFV-UHFFFAOYSA-N 2 2 287.367 0.938 20 0 CCADLP C[NH+](C)CC[C@@H]([NH2+]CCS(C)(=O)=O)C(C)(C)C ZINC000819083258 615912692 /nfs/dbraw/zinc/91/26/92/615912692.db2.gz YQQHQLGOMXHWDR-LLVKDONJSA-N 2 2 264.435 0.987 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CC(F)F ZINC000877435021 615925985 /nfs/dbraw/zinc/92/59/85/615925985.db2.gz XDCUJHVOVGJUNL-UWVGGRQHSA-N 2 2 279.331 0.196 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CC(F)F ZINC000877435021 615925988 /nfs/dbraw/zinc/92/59/88/615925988.db2.gz XDCUJHVOVGJUNL-UWVGGRQHSA-N 2 2 279.331 0.196 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000877432714 615927904 /nfs/dbraw/zinc/92/79/04/615927904.db2.gz FXCJGJLHXCFKNW-UONOGXRCSA-N 2 2 297.443 0.992 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000877432714 615927905 /nfs/dbraw/zinc/92/79/05/615927905.db2.gz FXCJGJLHXCFKNW-UONOGXRCSA-N 2 2 297.443 0.992 20 0 CCADLP Cn1c2ccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cc2oc1=O ZINC000816557773 615936390 /nfs/dbraw/zinc/93/63/90/615936390.db2.gz AWCZSEHZLDZXHH-HNNXBMFYSA-N 2 2 293.367 0.534 20 0 CCADLP C[NH+](C)C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900564411 615945382 /nfs/dbraw/zinc/94/53/82/615945382.db2.gz WDQFJWJZZIJVLD-GFCCVEGCSA-N 2 2 250.346 0.895 20 0 CCADLP C[NH+](C)Cc1cccc(C(=O)N2CC[N@H+](C)[C@H](CO)C2)c1 ZINC000913549928 615955076 /nfs/dbraw/zinc/95/50/76/615955076.db2.gz JJDRVIYSDGLIMG-HNNXBMFYSA-N 2 2 291.395 0.497 20 0 CCADLP C[NH+](C)Cc1cccc(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)c1 ZINC000913549928 615955080 /nfs/dbraw/zinc/95/50/80/615955080.db2.gz JJDRVIYSDGLIMG-HNNXBMFYSA-N 2 2 291.395 0.497 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000829703525 615977160 /nfs/dbraw/zinc/97/71/60/615977160.db2.gz GKMRFGDQJTYDSH-GHMZBOCLSA-N 2 2 250.346 0.941 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000898832188 615995427 /nfs/dbraw/zinc/99/54/27/615995427.db2.gz LFNGIJAGURTGSC-OLZOCXBDSA-N 2 2 276.384 0.952 20 0 CCADLP CN(C)c1cc(N2CC[C@@H](N3CC[NH2+]CC3)C2)nc[nH+]1 ZINC000905636427 616008133 /nfs/dbraw/zinc/00/81/33/616008133.db2.gz VYPKFPZJGVHWCG-GFCCVEGCSA-N 2 2 276.388 0.027 20 0 CCADLP CN(C)c1cc(NC(=O)NC[C@H]2CC[N@@H+]2C)cc[nH+]1 ZINC000932171824 616009451 /nfs/dbraw/zinc/00/94/51/616009451.db2.gz IRLVPYHGXWMFCR-LLVKDONJSA-N 2 2 263.345 0.973 20 0 CCADLP CN(C)c1cc(NC(=O)NC[C@H]2CC[N@H+]2C)cc[nH+]1 ZINC000932171824 616009452 /nfs/dbraw/zinc/00/94/52/616009452.db2.gz IRLVPYHGXWMFCR-LLVKDONJSA-N 2 2 263.345 0.973 20 0 CCADLP CN(C)c1cc(NC[C@@H]2CCC[N@@H+]2CCCO)nc[nH+]1 ZINC000894021572 616011027 /nfs/dbraw/zinc/01/10/27/616011027.db2.gz HWLJMVCYFFSZLV-LBPRGKRZSA-N 2 2 279.388 0.801 20 0 CCADLP CN(C)c1cc(NC[C@@H]2CCC[N@H+]2CCCO)nc[nH+]1 ZINC000894021572 616011028 /nfs/dbraw/zinc/01/10/28/616011028.db2.gz HWLJMVCYFFSZLV-LBPRGKRZSA-N 2 2 279.388 0.801 20 0 CCADLP C[N@H+](CCF)[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000971818188 616078340 /nfs/dbraw/zinc/07/83/40/616078340.db2.gz MWLWXBAVIYEXKS-TZMCWYRMSA-N 2 2 294.374 0.948 20 0 CCADLP C[N@@H+](CCF)[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000971818188 616078341 /nfs/dbraw/zinc/07/83/41/616078341.db2.gz MWLWXBAVIYEXKS-TZMCWYRMSA-N 2 2 294.374 0.948 20 0 CCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NC[C@H]1CC[NH+]1C ZINC000925417892 616089302 /nfs/dbraw/zinc/08/93/02/616089302.db2.gz QQASVMNCJNIQNA-CYBMUJFWSA-N 2 2 298.431 0.443 20 0 CCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NC[C@H]1CC[NH+]1C ZINC000925417892 616089304 /nfs/dbraw/zinc/08/93/04/616089304.db2.gz QQASVMNCJNIQNA-CYBMUJFWSA-N 2 2 298.431 0.443 20 0 CCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925417892 616089306 /nfs/dbraw/zinc/08/93/06/616089306.db2.gz QQASVMNCJNIQNA-CYBMUJFWSA-N 2 2 298.431 0.443 20 0 CCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NC[C@H]1CC[N@H+]1C ZINC000925417892 616089308 /nfs/dbraw/zinc/08/93/08/616089308.db2.gz QQASVMNCJNIQNA-CYBMUJFWSA-N 2 2 298.431 0.443 20 0 CCADLP CN(C[C@@H]1CCc2[nH+]ccn2C1)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925417623 616145764 /nfs/dbraw/zinc/14/57/64/616145764.db2.gz OQYIZUBWFXKWNS-STQMWFEESA-N 2 2 291.399 0.791 20 0 CCADLP CN(C[C@@H]1CCc2[nH+]ccn2C1)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000925417623 616145765 /nfs/dbraw/zinc/14/57/65/616145765.db2.gz OQYIZUBWFXKWNS-STQMWFEESA-N 2 2 291.399 0.791 20 0 CCADLP C[N@@H+](Cc1cc[nH]n1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903739197 616165844 /nfs/dbraw/zinc/16/58/44/616165844.db2.gz FCUNBQYENSXLJA-OLZOCXBDSA-N 2 2 250.346 0.610 20 0 CCADLP C[N@H+](Cc1cc[nH]n1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903739197 616165845 /nfs/dbraw/zinc/16/58/45/616165845.db2.gz FCUNBQYENSXLJA-OLZOCXBDSA-N 2 2 250.346 0.610 20 0 CCADLP C[NH+]1CCC(CCNC(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000865084797 616168551 /nfs/dbraw/zinc/16/85/51/616168551.db2.gz GRCJBWAMVDPXJU-IHWYPQMZSA-N 2 2 295.427 0.723 20 0 CCADLP C[NH+]1CCC(CNC(=O)CNc2cccc[nH+]2)CC1 ZINC000900483416 616169747 /nfs/dbraw/zinc/16/97/47/616169747.db2.gz CWFJLNFCCPTYOV-UHFFFAOYSA-N 2 2 262.357 0.952 20 0 CCADLP CN(C(=O)COC1CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000879167411 616172408 /nfs/dbraw/zinc/17/24/08/616172408.db2.gz HORPDSVTBMTCLZ-CQSZACIVSA-N 2 2 295.427 0.792 20 0 CCADLP CN(C(=O)COC1CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000879167411 616172409 /nfs/dbraw/zinc/17/24/09/616172409.db2.gz HORPDSVTBMTCLZ-CQSZACIVSA-N 2 2 295.427 0.792 20 0 CCADLP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1CCC(=O)NC1=O ZINC000799124872 616188069 /nfs/dbraw/zinc/18/80/69/616188069.db2.gz WQFVDTYINVFDPU-MNOVXSKESA-N 2 2 253.346 0.065 20 0 CCADLP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1CCC(=O)NC1=O ZINC000799124872 616188070 /nfs/dbraw/zinc/18/80/70/616188070.db2.gz WQFVDTYINVFDPU-MNOVXSKESA-N 2 2 253.346 0.065 20 0 CCADLP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@H]1CCC(=O)NC1=O ZINC000799124872 616188071 /nfs/dbraw/zinc/18/80/71/616188071.db2.gz WQFVDTYINVFDPU-MNOVXSKESA-N 2 2 253.346 0.065 20 0 CCADLP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCC(=O)NC1=O ZINC000799124872 616188072 /nfs/dbraw/zinc/18/80/72/616188072.db2.gz WQFVDTYINVFDPU-MNOVXSKESA-N 2 2 253.346 0.065 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000931622109 616199602 /nfs/dbraw/zinc/19/96/02/616199602.db2.gz OVBZGVICOJEQOB-FQKPHLNHSA-N 2 2 266.385 0.959 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000931622109 616199603 /nfs/dbraw/zinc/19/96/03/616199603.db2.gz OVBZGVICOJEQOB-FQKPHLNHSA-N 2 2 266.385 0.959 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000931622109 616199604 /nfs/dbraw/zinc/19/96/04/616199604.db2.gz OVBZGVICOJEQOB-FQKPHLNHSA-N 2 2 266.385 0.959 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000931622109 616199605 /nfs/dbraw/zinc/19/96/05/616199605.db2.gz OVBZGVICOJEQOB-FQKPHLNHSA-N 2 2 266.385 0.959 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903782664 616199668 /nfs/dbraw/zinc/19/96/68/616199668.db2.gz QCHAROTUFIABOC-QKPAOTATSA-N 3 2 279.428 0.924 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903782664 616199669 /nfs/dbraw/zinc/19/96/69/616199669.db2.gz QCHAROTUFIABOC-QKPAOTATSA-N 3 2 279.428 0.924 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903782664 616199670 /nfs/dbraw/zinc/19/96/70/616199670.db2.gz QCHAROTUFIABOC-QKPAOTATSA-N 3 2 279.428 0.924 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903782664 616199671 /nfs/dbraw/zinc/19/96/71/616199671.db2.gz QCHAROTUFIABOC-QKPAOTATSA-N 3 2 279.428 0.924 20 0 CCADLP CN(C(=O)N[C@H]1CCC[NH+](C)C1)[C@@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000652418122 616206995 /nfs/dbraw/zinc/20/69/95/616206995.db2.gz SLSJTDIMKYCCBZ-MJBXVCDLSA-N 2 2 296.415 0.195 20 0 CCADLP CN(C(=O)N[C@H]1CCC[NH+](C)C1)[C@@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000652418122 616206996 /nfs/dbraw/zinc/20/69/96/616206996.db2.gz SLSJTDIMKYCCBZ-MJBXVCDLSA-N 2 2 296.415 0.195 20 0 CCADLP CN(C(=O)N[C@H]1CCC[N@H+](C)C1)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000652418122 616206997 /nfs/dbraw/zinc/20/69/97/616206997.db2.gz SLSJTDIMKYCCBZ-MJBXVCDLSA-N 2 2 296.415 0.195 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH2+][C@](C)(Cn1cccn1)C(N)=O ZINC000934221621 616213659 /nfs/dbraw/zinc/21/36/59/616213659.db2.gz QKLWOHWCTFXGER-GXTWGEPZSA-N 2 2 279.388 0.201 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH2+][C@](C)(Cn1cccn1)C(N)=O ZINC000934221621 616213660 /nfs/dbraw/zinc/21/36/60/616213660.db2.gz QKLWOHWCTFXGER-GXTWGEPZSA-N 2 2 279.388 0.201 20 0 CCADLP C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC000830401452 616215508 /nfs/dbraw/zinc/21/55/08/616215508.db2.gz KRFDSCCLUBZLPZ-NWDGAFQWSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@H+]1CCC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC000830401452 616215509 /nfs/dbraw/zinc/21/55/09/616215509.db2.gz KRFDSCCLUBZLPZ-NWDGAFQWSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@@H+]1CCC[C@H]2C[NH+](CN3C[C@@H]4C[C@@H]4C3=O)CC[C@H]21 ZINC000902185047 616215618 /nfs/dbraw/zinc/21/56/18/616215618.db2.gz DKOHXPWXWDCHQO-XDQVBPFNSA-N 2 2 263.385 0.838 20 0 CCADLP C[N@H+]1CCC[C@H]2C[NH+](CN3C[C@@H]4C[C@@H]4C3=O)CC[C@H]21 ZINC000902185047 616215619 /nfs/dbraw/zinc/21/56/19/616215619.db2.gz DKOHXPWXWDCHQO-XDQVBPFNSA-N 2 2 263.385 0.838 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@H+](CN3C[C@@H]4C[C@@H]4C3=O)CC[C@H]21 ZINC000902185047 616215620 /nfs/dbraw/zinc/21/56/20/616215620.db2.gz DKOHXPWXWDCHQO-XDQVBPFNSA-N 2 2 263.385 0.838 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@@H+](CN3C[C@@H]4C[C@@H]4C3=O)CC[C@H]21 ZINC000902185047 616215621 /nfs/dbraw/zinc/21/56/21/616215621.db2.gz DKOHXPWXWDCHQO-XDQVBPFNSA-N 2 2 263.385 0.838 20 0 CCADLP C[N@@H+]1CCC[C@](O)(CC(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000900717783 616217446 /nfs/dbraw/zinc/21/74/46/616217446.db2.gz QNJXULCCRNQNEA-AWEZNQCLSA-N 2 2 278.356 0.113 20 0 CCADLP C[N@H+]1CCC[C@](O)(CC(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000900717783 616217447 /nfs/dbraw/zinc/21/74/47/616217447.db2.gz QNJXULCCRNQNEA-AWEZNQCLSA-N 2 2 278.356 0.113 20 0 CCADLP C[N@H+](CC[C@H]1COC(C)(C)O1)CC(=O)N1CC[NH+](C)CC1 ZINC000879355583 616223382 /nfs/dbraw/zinc/22/33/82/616223382.db2.gz FZTXGFWQLYTFDR-ZDUSSCGKSA-N 2 2 299.415 0.234 20 0 CCADLP C[N@@H+](CC[C@H]1COC(C)(C)O1)CC(=O)N1CC[NH+](C)CC1 ZINC000879355583 616223383 /nfs/dbraw/zinc/22/33/83/616223383.db2.gz FZTXGFWQLYTFDR-ZDUSSCGKSA-N 2 2 299.415 0.234 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CC[C@H]2C2CC2)CC1 ZINC000806133781 616223618 /nfs/dbraw/zinc/22/36/18/616223618.db2.gz DSBCSMCFGOGVLF-STQMWFEESA-N 2 2 251.374 0.539 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C[C@@H]1CO ZINC000913547624 616226984 /nfs/dbraw/zinc/22/69/84/616226984.db2.gz SKHHRWYBGLVPDO-CABCVRRESA-N 2 2 295.427 0.528 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C[C@@H]1CO ZINC000913547624 616226985 /nfs/dbraw/zinc/22/69/85/616226985.db2.gz SKHHRWYBGLVPDO-CABCVRRESA-N 2 2 295.427 0.528 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@@H]1CO ZINC000913547624 616226986 /nfs/dbraw/zinc/22/69/86/616226986.db2.gz SKHHRWYBGLVPDO-CABCVRRESA-N 2 2 295.427 0.528 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@@H]1CO ZINC000913547624 616226987 /nfs/dbraw/zinc/22/69/87/616226987.db2.gz SKHHRWYBGLVPDO-CABCVRRESA-N 2 2 295.427 0.528 20 0 CCADLP C[NH+]1CCN(C2CCN(C(=O)[C@]3(C)CCC[NH2+]3)CC2)CC1 ZINC000877251851 616238907 /nfs/dbraw/zinc/23/89/07/616238907.db2.gz VOQCFZXXALXCKQ-INIZCTEOSA-N 2 2 294.443 0.367 20 0 CCADLP C[N@@H+]1CCN(C[C@H]([NH3+])CCC(C)(C)C)[C@H](C[NH3+])C1 ZINC000904350198 616243699 /nfs/dbraw/zinc/24/36/99/616243699.db2.gz IGFWCHDOBVBVKN-CHWSQXEVSA-N 3 2 256.438 0.715 20 0 CCADLP C[N@H+]1CCN(C[C@H]([NH3+])CCC(C)(C)C)[C@H](C[NH3+])C1 ZINC000904350198 616243700 /nfs/dbraw/zinc/24/37/00/616243700.db2.gz IGFWCHDOBVBVKN-CHWSQXEVSA-N 3 2 256.438 0.715 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CC[C@H]21 ZINC000827244522 616323777 /nfs/dbraw/zinc/32/37/77/616323777.db2.gz BBUVTNJFPGVWDP-MGPQQGTHSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CC[C@H]21 ZINC000827244522 616323780 /nfs/dbraw/zinc/32/37/80/616323780.db2.gz BBUVTNJFPGVWDP-MGPQQGTHSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)CC[C@@H]21 ZINC000827244523 616327362 /nfs/dbraw/zinc/32/73/62/616327362.db2.gz BBUVTNJFPGVWDP-RDBSUJKOSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)CC[C@@H]21 ZINC000827244523 616327364 /nfs/dbraw/zinc/32/73/64/616327364.db2.gz BBUVTNJFPGVWDP-RDBSUJKOSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2CCCC2=O)C1 ZINC000129217480 616343765 /nfs/dbraw/zinc/34/37/65/616343765.db2.gz ORDMZEDLCPUDAJ-CHWSQXEVSA-N 2 2 251.374 0.982 20 0 CCADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2CCCC2=O)C1 ZINC000129217480 616343773 /nfs/dbraw/zinc/34/37/73/616343773.db2.gz ORDMZEDLCPUDAJ-CHWSQXEVSA-N 2 2 251.374 0.982 20 0 CCADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2CN2CCCC2=O)C1 ZINC000129217480 616343777 /nfs/dbraw/zinc/34/37/77/616343777.db2.gz ORDMZEDLCPUDAJ-CHWSQXEVSA-N 2 2 251.374 0.982 20 0 CCADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2CN2CCCC2=O)C1 ZINC000129217480 616343784 /nfs/dbraw/zinc/34/37/84/616343784.db2.gz ORDMZEDLCPUDAJ-CHWSQXEVSA-N 2 2 251.374 0.982 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000894917072 616357660 /nfs/dbraw/zinc/35/76/60/616357660.db2.gz ZBMKYKFQSVXFBH-JQWIXIFHSA-N 2 2 263.345 0.266 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000894917072 616357665 /nfs/dbraw/zinc/35/76/65/616357665.db2.gz ZBMKYKFQSVXFBH-JQWIXIFHSA-N 2 2 263.345 0.266 20 0 CCADLP COCC[NH+]1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000949091379 616358934 /nfs/dbraw/zinc/35/89/34/616358934.db2.gz UHIXAABVOUTGKT-UHFFFAOYSA-N 2 2 281.400 0.405 20 0 CCADLP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1nnnn1C1CC1 ZINC000925477055 616364084 /nfs/dbraw/zinc/36/40/84/616364084.db2.gz KYOLTHSSJBQACH-HWYHXSKPSA-N 2 2 262.361 0.438 20 0 CCADLP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1nnnn1C1CC1 ZINC000925477055 616364088 /nfs/dbraw/zinc/36/40/88/616364088.db2.gz KYOLTHSSJBQACH-HWYHXSKPSA-N 2 2 262.361 0.438 20 0 CCADLP C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@]2(C)C1 ZINC000887926018 616380431 /nfs/dbraw/zinc/38/04/31/616380431.db2.gz XHLSIYNAQXILHX-ZENOOKHLSA-N 2 2 288.395 0.856 20 0 CCADLP C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@]2(C)C1 ZINC000887926018 616380433 /nfs/dbraw/zinc/38/04/33/616380433.db2.gz XHLSIYNAQXILHX-ZENOOKHLSA-N 2 2 288.395 0.856 20 0 CCADLP C[N@@H+]1C[C@@H]2C[NH+](CCc3nnn(C(C)(C)C)n3)C[C@]2(C)C1 ZINC000933734179 616383452 /nfs/dbraw/zinc/38/34/52/616383452.db2.gz NMYAQQSZYGUESQ-DOMZBBRYSA-N 2 2 292.431 0.854 20 0 CCADLP C[N@H+]1C[C@@H]2C[NH+](CCc3nnn(C(C)(C)C)n3)C[C@]2(C)C1 ZINC000933734179 616383455 /nfs/dbraw/zinc/38/34/55/616383455.db2.gz NMYAQQSZYGUESQ-DOMZBBRYSA-N 2 2 292.431 0.854 20 0 CCADLP C[NH+]1C[C@@H]2C[N@H+](CCc3nnn(C(C)(C)C)n3)C[C@]2(C)C1 ZINC000933734179 616383461 /nfs/dbraw/zinc/38/34/61/616383461.db2.gz NMYAQQSZYGUESQ-DOMZBBRYSA-N 2 2 292.431 0.854 20 0 CCADLP C[NH+]1C[C@@H]2C[N@@H+](CCc3nnn(C(C)(C)C)n3)C[C@]2(C)C1 ZINC000933734179 616383464 /nfs/dbraw/zinc/38/34/64/616383464.db2.gz NMYAQQSZYGUESQ-DOMZBBRYSA-N 2 2 292.431 0.854 20 0 CCADLP COC(=O)C12CC(C1)C[N@@H+]2C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903767280 616401607 /nfs/dbraw/zinc/40/16/07/616401607.db2.gz VGWYTZZSVHBSBX-VYKPZMDHSA-N 2 2 280.368 0.392 20 0 CCADLP COC(=O)C12CC(C1)C[N@H+]2C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903767280 616401610 /nfs/dbraw/zinc/40/16/10/616401610.db2.gz VGWYTZZSVHBSBX-VYKPZMDHSA-N 2 2 280.368 0.392 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000943767209 616416262 /nfs/dbraw/zinc/41/62/62/616416262.db2.gz SDEMWOPPDPKSAB-RYUDHWBXSA-N 2 2 280.372 0.425 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000943767209 616416264 /nfs/dbraw/zinc/41/62/64/616416264.db2.gz SDEMWOPPDPKSAB-RYUDHWBXSA-N 2 2 280.372 0.425 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC000941130882 616416377 /nfs/dbraw/zinc/41/63/77/616416377.db2.gz WTCLLECRNCYUHQ-LBPRGKRZSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC000941130882 616416379 /nfs/dbraw/zinc/41/63/79/616416379.db2.gz WTCLLECRNCYUHQ-LBPRGKRZSA-N 2 2 294.399 0.815 20 0 CCADLP COC(=O)C1=NO[C@@]2(CC[N@H+](CCCn3cc[nH+]c3)C2)C1 ZINC000879484114 616434793 /nfs/dbraw/zinc/43/47/93/616434793.db2.gz PQMNSHRXJZMQSP-AWEZNQCLSA-N 2 2 292.339 0.667 20 0 CCADLP COC(=O)C1=NO[C@@]2(CC[N@@H+](CCCn3cc[nH+]c3)C2)C1 ZINC000879484114 616434794 /nfs/dbraw/zinc/43/47/94/616434794.db2.gz PQMNSHRXJZMQSP-AWEZNQCLSA-N 2 2 292.339 0.667 20 0 CCADLP C[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]21 ZINC000827277475 616436313 /nfs/dbraw/zinc/43/63/13/616436313.db2.gz LZIQWRMDPMXDNH-AAEUAGOBSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]21 ZINC000827277475 616436318 /nfs/dbraw/zinc/43/63/18/616436318.db2.gz LZIQWRMDPMXDNH-AAEUAGOBSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]21 ZINC000827277475 616436321 /nfs/dbraw/zinc/43/63/21/616436321.db2.gz LZIQWRMDPMXDNH-AAEUAGOBSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]21 ZINC000827277475 616436325 /nfs/dbraw/zinc/43/63/25/616436325.db2.gz LZIQWRMDPMXDNH-AAEUAGOBSA-N 2 2 262.357 0.895 20 0 CCADLP COCC[N@H+]1[C@H](C)CN(C(=O)NC[C@H]2CC[NH+]2C)C[C@@H]1C ZINC000925431261 616475554 /nfs/dbraw/zinc/47/55/54/616475554.db2.gz UXHQEUGSNANCRH-HZSPNIEDSA-N 2 2 298.431 0.441 20 0 CCADLP COCC[N@@H+]1[C@H](C)CN(C(=O)NC[C@H]2CC[NH+]2C)C[C@@H]1C ZINC000925431261 616475560 /nfs/dbraw/zinc/47/55/60/616475560.db2.gz UXHQEUGSNANCRH-HZSPNIEDSA-N 2 2 298.431 0.441 20 0 CCADLP COCC[NH+]1[C@H](C)CN(C(=O)NC[C@H]2CC[N@@H+]2C)C[C@@H]1C ZINC000925431261 616475562 /nfs/dbraw/zinc/47/55/62/616475562.db2.gz UXHQEUGSNANCRH-HZSPNIEDSA-N 2 2 298.431 0.441 20 0 CCADLP COCC[NH+]1[C@H](C)CN(C(=O)NC[C@H]2CC[N@H+]2C)C[C@@H]1C ZINC000925431261 616475564 /nfs/dbraw/zinc/47/55/64/616475564.db2.gz UXHQEUGSNANCRH-HZSPNIEDSA-N 2 2 298.431 0.441 20 0 CCADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000900541842 616494953 /nfs/dbraw/zinc/49/49/53/616494953.db2.gz RJVMWHYWHAHYPF-YWPYICTPSA-N 2 2 292.383 0.571 20 0 CCADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000900541842 616494954 /nfs/dbraw/zinc/49/49/54/616494954.db2.gz RJVMWHYWHAHYPF-YWPYICTPSA-N 2 2 292.383 0.571 20 0 CCADLP COC(=O)[C@@H]1[C@H](C[NH2+]C[C@@H](C)[NH+](C)C)C1(F)F ZINC000894392419 616514388 /nfs/dbraw/zinc/51/43/88/616514388.db2.gz NROFKARSGCAHFO-VGMNWLOBSA-N 2 2 250.289 0.580 20 0 CCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000877247319 616516459 /nfs/dbraw/zinc/51/64/59/616516459.db2.gz IDHONWKBLXYJPM-LJISPDSOSA-N 2 2 271.364 0.755 20 0 CCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000877247319 616516461 /nfs/dbraw/zinc/51/64/61/616516461.db2.gz IDHONWKBLXYJPM-LJISPDSOSA-N 2 2 271.364 0.755 20 0 CCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000877247637 616516864 /nfs/dbraw/zinc/51/68/64/616516864.db2.gz SOAUYLGKKHEHCR-GOEBONIOSA-N 2 2 289.379 0.668 20 0 CCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000877247637 616516866 /nfs/dbraw/zinc/51/68/66/616516866.db2.gz SOAUYLGKKHEHCR-GOEBONIOSA-N 2 2 289.379 0.668 20 0 CCADLP COC(=O)[C@@](C)(Cn1cccn1)[NH2+]CC1CC[NH2+]CC1 ZINC000903864107 616535580 /nfs/dbraw/zinc/53/55/80/616535580.db2.gz RIBMRGMJRKRUNM-CQSZACIVSA-N 2 2 280.372 0.404 20 0 CCADLP COC[C@H](CCC[NH3+])[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902435534 616641087 /nfs/dbraw/zinc/64/10/87/616641087.db2.gz USWOZZWDFFYZDW-NWANDNLSSA-N 3 2 263.385 0.955 20 0 CCADLP COC[C@H](CCO)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925113851 616650497 /nfs/dbraw/zinc/65/04/97/616650497.db2.gz XZWIOZNAAIPHPM-MJBXVCDLSA-N 2 2 256.390 0.990 20 0 CCADLP COC[C@H](CCO)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925113851 616650499 /nfs/dbraw/zinc/65/04/99/616650499.db2.gz XZWIOZNAAIPHPM-MJBXVCDLSA-N 2 2 256.390 0.990 20 0 CCADLP CNC(=O)NC(=O)CC[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880133620 616695293 /nfs/dbraw/zinc/69/52/93/616695293.db2.gz VDBCXVDGTJOEKN-WDEREUQCSA-N 2 2 268.361 0.001 20 0 CCADLP CNC(=O)NC(=O)CC[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880133620 616695294 /nfs/dbraw/zinc/69/52/94/616695294.db2.gz VDBCXVDGTJOEKN-WDEREUQCSA-N 2 2 268.361 0.001 20 0 CCADLP CNC(=O)NC(=O)CC[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880133620 616695296 /nfs/dbraw/zinc/69/52/96/616695296.db2.gz VDBCXVDGTJOEKN-WDEREUQCSA-N 2 2 268.361 0.001 20 0 CCADLP CNC(=O)NC(=O)CC[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880133620 616695297 /nfs/dbraw/zinc/69/52/97/616695297.db2.gz VDBCXVDGTJOEKN-WDEREUQCSA-N 2 2 268.361 0.001 20 0 CCADLP COC[C@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1ccco1 ZINC000878409417 616719477 /nfs/dbraw/zinc/71/94/77/616719477.db2.gz KGMLZTKRLKYIJL-ZDUSSCGKSA-N 2 2 295.383 0.767 20 0 CCADLP COC(=O)[C@H]1[C@@H](C[NH2+]C[C@H]2CCC[N@@H+]2C)C1(F)F ZINC000895392102 616734342 /nfs/dbraw/zinc/73/43/42/616734342.db2.gz LKYIOJMOHSEGLC-OPRDCNLKSA-N 2 2 262.300 0.725 20 0 CCADLP COC(=O)[C@H]1[C@@H](C[NH2+]C[C@H]2CCC[N@H+]2C)C1(F)F ZINC000895392102 616734347 /nfs/dbraw/zinc/73/43/47/616734347.db2.gz LKYIOJMOHSEGLC-OPRDCNLKSA-N 2 2 262.300 0.725 20 0 CCADLP COCC1(CNC(=O)NCc2c[nH+]cn2C)CC[NH2+]CC1 ZINC000892112547 616771322 /nfs/dbraw/zinc/77/13/22/616771322.db2.gz JSVIHPBCCDTADF-UHFFFAOYSA-N 2 2 295.387 0.236 20 0 CCADLP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1csnn1)C2 ZINC000903978891 616801726 /nfs/dbraw/zinc/80/17/26/616801726.db2.gz OINKOJBNYAIXHW-SBMIAAHKSA-N 2 2 282.369 0.250 20 0 CCADLP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1csnn1)C2 ZINC000903978891 616801727 /nfs/dbraw/zinc/80/17/27/616801727.db2.gz OINKOJBNYAIXHW-SBMIAAHKSA-N 2 2 282.369 0.250 20 0 CCADLP COC(=O)N1CCC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000817903657 616839558 /nfs/dbraw/zinc/83/95/58/616839558.db2.gz SGCPCUCFLXOMDE-SDDRHHMPSA-N 2 2 255.362 0.805 20 0 CCADLP CO[C@@H]1C[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932578620 616874975 /nfs/dbraw/zinc/87/49/75/616874975.db2.gz YFMFIEHNBVYUGU-RBSFLKMASA-N 2 2 295.427 0.648 20 0 CCADLP CO[C@@H]1C[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932578620 616874978 /nfs/dbraw/zinc/87/49/78/616874978.db2.gz YFMFIEHNBVYUGU-RBSFLKMASA-N 2 2 295.427 0.648 20 0 CCADLP C[NH2+]C[C@H]1CCCC[N@@H+]1C[C@@H](O)COC[C@H]1CCCO1 ZINC000923423728 616996739 /nfs/dbraw/zinc/99/67/39/616996739.db2.gz MRARZJRUUFDIDJ-RBSFLKMASA-N 2 2 286.416 0.617 20 0 CCADLP C[NH2+]C[C@H]1CCCC[N@H+]1C[C@@H](O)COC[C@H]1CCCO1 ZINC000923423728 616996744 /nfs/dbraw/zinc/99/67/44/616996744.db2.gz MRARZJRUUFDIDJ-RBSFLKMASA-N 2 2 286.416 0.617 20 0 CCADLP COCC[N@H+](CCF)CCC(=O)N1CC[NH+](C)CC1 ZINC000852481126 617010625 /nfs/dbraw/zinc/01/06/25/617010625.db2.gz IKSRTEADNNPZDW-UHFFFAOYSA-N 2 2 275.368 0.068 20 0 CCADLP COCC[N@@H+](CCF)CCC(=O)N1CC[NH+](C)CC1 ZINC000852481126 617010629 /nfs/dbraw/zinc/01/06/29/617010629.db2.gz IKSRTEADNNPZDW-UHFFFAOYSA-N 2 2 275.368 0.068 20 0 CCADLP COCC[N@@H+](Cc1nnc(C)[nH]1)CC1CC[NH+](C)CC1 ZINC000879125651 617029976 /nfs/dbraw/zinc/02/99/76/617029976.db2.gz FLNGHGGJZJDFII-UHFFFAOYSA-N 2 2 281.404 0.903 20 0 CCADLP COCC[N@H+](Cc1nnc(C)[nH]1)CC1CC[NH+](C)CC1 ZINC000879125651 617029979 /nfs/dbraw/zinc/02/99/79/617029979.db2.gz FLNGHGGJZJDFII-UHFFFAOYSA-N 2 2 281.404 0.903 20 0 CCADLP C[NH2+][C@@H](CC(C)C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000884189743 617045873 /nfs/dbraw/zinc/04/58/73/617045873.db2.gz LZLSVNLFOVTOAT-OLZOCXBDSA-N 2 2 271.405 0.457 20 0 CCADLP CON(C)C(=O)[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000858588653 617053666 /nfs/dbraw/zinc/05/36/66/617053666.db2.gz LOVZVUSTSNBJBI-SNVBAGLBSA-N 2 2 255.362 0.611 20 0 CCADLP COC[C@H](C)[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880253006 617058089 /nfs/dbraw/zinc/05/80/89/617058089.db2.gz UFEHTBJGKRZZJP-ZDUSSCGKSA-N 2 2 283.416 0.827 20 0 CCADLP CO[C@H](C)C[NH+]1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000957900021 617065496 /nfs/dbraw/zinc/06/54/96/617065496.db2.gz ONYICEPXPJAUBR-GFCCVEGCSA-N 2 2 266.345 0.062 20 0 CCADLP CON1CC[C@H]([N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000929990399 617098190 /nfs/dbraw/zinc/09/81/90/617098190.db2.gz AGYUKFXDTZYDIR-MNOVXSKESA-N 2 2 264.329 0.751 20 0 CCADLP CON1CC[C@H]([N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000929990399 617098191 /nfs/dbraw/zinc/09/81/91/617098191.db2.gz AGYUKFXDTZYDIR-MNOVXSKESA-N 2 2 264.329 0.751 20 0 CCADLP CO[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962292950 617156839 /nfs/dbraw/zinc/15/68/39/617156839.db2.gz KYAIVOAPNFQSJK-MUYACECFSA-N 2 2 292.383 0.044 20 0 CCADLP CO[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962292950 617156840 /nfs/dbraw/zinc/15/68/40/617156840.db2.gz KYAIVOAPNFQSJK-MUYACECFSA-N 2 2 292.383 0.044 20 0 CCADLP C[C@@H](CN1CCOCC1)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310774 625591900 /nfs/dbraw/zinc/59/19/00/625591900.db2.gz HSABWEWIWHRGEO-HRCADAONSA-N 2 2 281.444 0.981 20 0 CCADLP C[C@@H](CN1CCOCC1)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310774 625591919 /nfs/dbraw/zinc/59/19/19/625591919.db2.gz HSABWEWIWHRGEO-HRCADAONSA-N 2 2 281.444 0.981 20 0 CCADLP C[C@@H](CN1CCOCC1)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931310774 625591929 /nfs/dbraw/zinc/59/19/29/625591929.db2.gz HSABWEWIWHRGEO-HRCADAONSA-N 2 2 281.444 0.981 20 0 CCADLP C[C@@H](CN1CCOCC1)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931310774 625591944 /nfs/dbraw/zinc/59/19/44/625591944.db2.gz HSABWEWIWHRGEO-HRCADAONSA-N 2 2 281.444 0.981 20 0 CCADLP C[C@H](CC(=O)N1CC[C@H]([N@H+](C)CCO)C1)n1cc[nH+]c1 ZINC000972451051 622847244 /nfs/dbraw/zinc/84/72/44/622847244.db2.gz VNDBNADRVBMMJC-OLZOCXBDSA-N 2 2 280.372 0.359 20 0 CCADLP C[C@H](CC(=O)N1CC[C@H]([N@@H+](C)CCO)C1)n1cc[nH+]c1 ZINC000972451051 622847247 /nfs/dbraw/zinc/84/72/47/622847247.db2.gz VNDBNADRVBMMJC-OLZOCXBDSA-N 2 2 280.372 0.359 20 0 CCADLP CC[NH2+]C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001024214361 623266536 /nfs/dbraw/zinc/26/65/36/623266536.db2.gz LYSWGJLMJJIGMT-LLVKDONJSA-N 2 2 250.346 0.800 20 0 CCADLP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000926648858 623359438 /nfs/dbraw/zinc/35/94/38/623359438.db2.gz ZAHGPEDYCJFBCE-YVECIDJPSA-N 2 2 251.374 0.857 20 0 CCADLP NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000926648858 623359447 /nfs/dbraw/zinc/35/94/47/623359447.db2.gz ZAHGPEDYCJFBCE-YVECIDJPSA-N 2 2 251.374 0.857 20 0 CCADLP COCC[C@@H]([NH3+])C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000052790928 623482625 /nfs/dbraw/zinc/48/26/25/623482625.db2.gz RCDZXQDDBDLGBX-GFCCVEGCSA-N 2 2 278.356 0.094 20 0 CCADLP COCC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000052808335 623485124 /nfs/dbraw/zinc/48/51/24/623485124.db2.gz GEVPNAIAPIGMHL-CYBMUJFWSA-N 2 2 297.424 0.756 20 0 CCADLP CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001026898836 625657615 /nfs/dbraw/zinc/65/76/15/625657615.db2.gz UNVXPDOUEUCXBG-IJLUTSLNSA-N 2 2 262.357 0.971 20 0 CCADLP CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001026898836 625657620 /nfs/dbraw/zinc/65/76/20/625657620.db2.gz UNVXPDOUEUCXBG-IJLUTSLNSA-N 2 2 262.357 0.971 20 0 CCADLP CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001026927291 625663301 /nfs/dbraw/zinc/66/33/01/625663301.db2.gz LOPOEBZCHQUSHV-CHWSQXEVSA-N 2 2 276.384 0.904 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCCC(C)(C)[NH3+] ZINC000892854416 623854476 /nfs/dbraw/zinc/85/44/76/623854476.db2.gz RZDODRGKZLTFDX-LBPRGKRZSA-N 2 2 286.420 0.476 20 0 CCADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1nccn1C1CC1 ZINC000892894022 623860620 /nfs/dbraw/zinc/86/06/20/623860620.db2.gz RNZANDLEEVMKCI-ZDUSSCGKSA-N 2 2 277.416 0.944 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3nncs3)C2)C1 ZINC001019772546 623906063 /nfs/dbraw/zinc/90/60/63/623906063.db2.gz JMNHAHFIYYFQRA-MNOVXSKESA-N 2 2 295.412 0.180 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3nncs3)C2)C1 ZINC001019772546 623906072 /nfs/dbraw/zinc/90/60/72/623906072.db2.gz JMNHAHFIYYFQRA-MNOVXSKESA-N 2 2 295.412 0.180 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC)C1 ZINC001020432131 624476319 /nfs/dbraw/zinc/47/63/19/624476319.db2.gz BZIIFXRGNFQLII-MGPQQGTHSA-N 2 2 283.416 0.744 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC)C1 ZINC001020432131 624476325 /nfs/dbraw/zinc/47/63/25/624476325.db2.gz BZIIFXRGNFQLII-MGPQQGTHSA-N 2 2 283.416 0.744 20 0 CCADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)NCc2cccs2)C1 ZINC000050247487 624803955 /nfs/dbraw/zinc/80/39/55/624803955.db2.gz MQTJAVPIESGUEQ-SNVBAGLBSA-N 2 2 253.371 0.645 20 0 CCADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)NCc2cccs2)C1 ZINC000050247487 624803956 /nfs/dbraw/zinc/80/39/56/624803956.db2.gz MQTJAVPIESGUEQ-SNVBAGLBSA-N 2 2 253.371 0.645 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]2C[N@H+](CCO)CC[C@H]21 ZINC001021753736 624820297 /nfs/dbraw/zinc/82/02/97/624820297.db2.gz IFSXFWUEGAWDRB-UONOGXRCSA-N 2 2 292.383 0.188 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]2C[N@@H+](CCO)CC[C@H]21 ZINC001021753736 624820298 /nfs/dbraw/zinc/82/02/98/624820298.db2.gz IFSXFWUEGAWDRB-UONOGXRCSA-N 2 2 292.383 0.188 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001022302222 624917757 /nfs/dbraw/zinc/91/77/57/624917757.db2.gz GEKPWWFYYPNLQH-XQHKEYJVSA-N 2 2 292.383 0.063 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@@H]([N@H+](C)CCO)C1 ZINC001027505593 625925829 /nfs/dbraw/zinc/92/58/29/625925829.db2.gz QQPFREMEVIRCGR-CYBMUJFWSA-N 2 2 294.399 0.268 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@@H]([N@@H+](C)CCO)C1 ZINC001027505593 625925838 /nfs/dbraw/zinc/92/58/38/625925838.db2.gz QQPFREMEVIRCGR-CYBMUJFWSA-N 2 2 294.399 0.268 20 0 CCADLP C[C@H]1COC[C@@H]1[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000903397001 634556972 /nfs/dbraw/zinc/55/69/72/634556972.db2.gz VDJFBSIQTZGAKY-HOCLYGCPSA-N 2 2 297.443 0.408 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN(c2cccnn2)CC1 ZINC000903442663 634567151 /nfs/dbraw/zinc/56/71/51/634567151.db2.gz WPZNXSSUKPRVIE-OLZOCXBDSA-N 2 2 261.373 0.454 20 0 CCADLP C[C@@H](CN1CCOCC1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903472732 634574968 /nfs/dbraw/zinc/57/49/68/634574968.db2.gz VPWHKTGMDQRMJC-STQMWFEESA-N 2 2 253.390 0.581 20 0 CCADLP O=C1C[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCN1C1CC1 ZINC000903729868 634632238 /nfs/dbraw/zinc/63/22/38/634632238.db2.gz RUFBJNPDBUIBGC-CQSZACIVSA-N 2 2 293.411 0.452 20 0 CCADLP O=C1C[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCN1C1CC1 ZINC000903729868 634632243 /nfs/dbraw/zinc/63/22/43/634632243.db2.gz RUFBJNPDBUIBGC-CQSZACIVSA-N 2 2 293.411 0.452 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903713132 634632595 /nfs/dbraw/zinc/63/25/95/634632595.db2.gz GDTWXWJHVWDXRK-LJISPDSOSA-N 3 2 267.417 0.957 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903713132 634632599 /nfs/dbraw/zinc/63/25/99/634632599.db2.gz GDTWXWJHVWDXRK-LJISPDSOSA-N 3 2 267.417 0.957 20 0 CCADLP c1cnnc(N2CC[NH+](C[C@H]3CCCC[NH2+]C3)CC2)c1 ZINC000903737162 634637767 /nfs/dbraw/zinc/63/77/67/634637767.db2.gz PNINNQDGFKEGJC-AWEZNQCLSA-N 2 2 275.400 0.988 20 0 CCADLP NC(=O)CC[C@H]1CCC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903888932 634671714 /nfs/dbraw/zinc/67/17/14/634671714.db2.gz NDROLDMDYJQWAA-NXEZZACHSA-N 2 2 263.332 0.946 20 0 CCADLP NC(=O)CC[C@H]1CCC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903888932 634671715 /nfs/dbraw/zinc/67/17/15/634671715.db2.gz NDROLDMDYJQWAA-NXEZZACHSA-N 2 2 263.332 0.946 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cnn1C ZINC000903873736 634674084 /nfs/dbraw/zinc/67/40/84/634674084.db2.gz LXUZFCGALIVDFU-LNSITVRQSA-N 3 2 279.432 0.515 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cnn1C ZINC000903873736 634674090 /nfs/dbraw/zinc/67/40/90/634674090.db2.gz LXUZFCGALIVDFU-LNSITVRQSA-N 3 2 279.432 0.515 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cnn1C ZINC000903873735 634674269 /nfs/dbraw/zinc/67/42/69/634674269.db2.gz LXUZFCGALIVDFU-KYOSRNDESA-N 3 2 279.432 0.515 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cnn1C ZINC000903873735 634674273 /nfs/dbraw/zinc/67/42/73/634674273.db2.gz LXUZFCGALIVDFU-KYOSRNDESA-N 3 2 279.432 0.515 20 0 CCADLP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@@H+]1CCCOCC1 ZINC000903903981 634681040 /nfs/dbraw/zinc/68/10/40/634681040.db2.gz NOVJRYNSHZHTRH-LBPRGKRZSA-N 2 2 265.361 0.425 20 0 CCADLP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@H+]1CCCOCC1 ZINC000903903981 634681043 /nfs/dbraw/zinc/68/10/43/634681043.db2.gz NOVJRYNSHZHTRH-LBPRGKRZSA-N 2 2 265.361 0.425 20 0 CCADLP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000903929797 634689605 /nfs/dbraw/zinc/68/96/05/634689605.db2.gz LUSLPXOIELYCHI-GVXVVHGQSA-N 2 2 279.413 0.892 20 0 CCADLP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000903929797 634689610 /nfs/dbraw/zinc/68/96/10/634689610.db2.gz LUSLPXOIELYCHI-GVXVVHGQSA-N 2 2 279.413 0.892 20 0 CCADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000903933253 634692812 /nfs/dbraw/zinc/69/28/12/634692812.db2.gz NEXWPOFMOIRBNY-WDEREUQCSA-N 2 2 275.343 0.913 20 0 CCADLP [NH3+][C@H](CC(F)F)C[N@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000903933253 634692813 /nfs/dbraw/zinc/69/28/13/634692813.db2.gz NEXWPOFMOIRBNY-WDEREUQCSA-N 2 2 275.343 0.913 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cnn1C ZINC000903916562 634694845 /nfs/dbraw/zinc/69/48/45/634694845.db2.gz HTBXASJJJCFFRG-ZBFHGGJFSA-N 3 2 291.443 0.531 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cnn1C ZINC000903916562 634694847 /nfs/dbraw/zinc/69/48/47/634694847.db2.gz HTBXASJJJCFFRG-ZBFHGGJFSA-N 3 2 291.443 0.531 20 0 CCADLP C[C@]1(C[N@@H+]2CCC[C@@H](S(N)(=O)=O)C2)CCC[NH2+]C1 ZINC000904335609 634728457 /nfs/dbraw/zinc/72/84/57/634728457.db2.gz HACUXHXQWRJPMQ-NEPJUHHUSA-N 2 2 275.418 0.129 20 0 CCADLP C[C@]1(C[N@H+]2CCC[C@@H](S(N)(=O)=O)C2)CCC[NH2+]C1 ZINC000904335609 634728461 /nfs/dbraw/zinc/72/84/61/634728461.db2.gz HACUXHXQWRJPMQ-NEPJUHHUSA-N 2 2 275.418 0.129 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905044145 634783574 /nfs/dbraw/zinc/78/35/74/634783574.db2.gz ACUOQMIEZXIEND-NWDGAFQWSA-N 2 2 253.346 0.527 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000905149592 634810284 /nfs/dbraw/zinc/81/02/84/634810284.db2.gz RVSUJFGYGFWPGK-WOPDTQHZSA-N 2 2 265.361 0.663 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000905149592 634810288 /nfs/dbraw/zinc/81/02/88/634810288.db2.gz RVSUJFGYGFWPGK-WOPDTQHZSA-N 2 2 265.361 0.663 20 0 CCADLP C[C@@H]([NH2+]CC1CC1)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC000979443348 630927792 /nfs/dbraw/zinc/92/77/92/630927792.db2.gz JKCSLKOTLHNSFT-TZMCWYRMSA-N 2 2 292.383 0.499 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@H]2C[N@@H+](CCO)C[C@H]2C1 ZINC000980272956 631006236 /nfs/dbraw/zinc/00/62/36/631006236.db2.gz IKUFEGSSVIKDNK-BFHYXJOUSA-N 2 2 292.383 0.092 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@H]2C[N@H+](CCO)C[C@H]2C1 ZINC000980272956 631006242 /nfs/dbraw/zinc/00/62/42/631006242.db2.gz IKUFEGSSVIKDNK-BFHYXJOUSA-N 2 2 292.383 0.092 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([N@@H+](C)C[C@@H](C)O)C1 ZINC000980271437 631007959 /nfs/dbraw/zinc/00/79/59/631007959.db2.gz VCLQEQDCEPUCNT-PWSUYJOCSA-N 2 2 280.372 0.174 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([N@H+](C)C[C@@H](C)O)C1 ZINC000980271437 631007965 /nfs/dbraw/zinc/00/79/65/631007965.db2.gz VCLQEQDCEPUCNT-PWSUYJOCSA-N 2 2 280.372 0.174 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)C1 ZINC000893606155 631024173 /nfs/dbraw/zinc/02/41/73/631024173.db2.gz NOPYWCJABGZBMW-XQQFMLRXSA-N 2 2 288.363 0.276 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)C1 ZINC000893606155 631024179 /nfs/dbraw/zinc/02/41/79/631024179.db2.gz NOPYWCJABGZBMW-XQQFMLRXSA-N 2 2 288.363 0.276 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCC[C@H]([NH2+]CCF)C1 ZINC000981417162 631276844 /nfs/dbraw/zinc/27/68/44/631276844.db2.gz JSKHAHKXKJYBJN-WDEREUQCSA-N 2 2 268.336 0.939 20 0 CCADLP CO[C@H](C)C[NH+]1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000949091052 631298795 /nfs/dbraw/zinc/29/87/95/631298795.db2.gz AWFSAVMYPWBIES-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP COC[C@H](C)[N@@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000982036093 631369632 /nfs/dbraw/zinc/36/96/32/631369632.db2.gz ZGWRWKAUZPCSSO-LBPRGKRZSA-N 2 2 280.372 0.521 20 0 CCADLP COC[C@H](C)[N@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000982036093 631369646 /nfs/dbraw/zinc/36/96/46/631369646.db2.gz ZGWRWKAUZPCSSO-LBPRGKRZSA-N 2 2 280.372 0.521 20 0 CCADLP Cc1oncc1C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001010382663 631370201 /nfs/dbraw/zinc/37/02/01/631370201.db2.gz MJVQTESIYFRLTG-KBPBESRZSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1oncc1C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001010382663 631370205 /nfs/dbraw/zinc/37/02/05/631370205.db2.gz MJVQTESIYFRLTG-KBPBESRZSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1oncc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010382663 631370209 /nfs/dbraw/zinc/37/02/09/631370209.db2.gz MJVQTESIYFRLTG-KBPBESRZSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1oncc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001010382663 631370214 /nfs/dbraw/zinc/37/02/14/631370214.db2.gz MJVQTESIYFRLTG-KBPBESRZSA-N 2 2 292.383 0.768 20 0 CCADLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@]1(C)C[N@H+](CCO)C2 ZINC000982597848 631560696 /nfs/dbraw/zinc/56/06/96/631560696.db2.gz DJHOWDVGKWTZNB-GASCZTMLSA-N 2 2 292.383 0.115 20 0 CCADLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@]1(C)C[N@@H+](CCO)C2 ZINC000982597848 631560704 /nfs/dbraw/zinc/56/07/04/631560704.db2.gz DJHOWDVGKWTZNB-GASCZTMLSA-N 2 2 292.383 0.115 20 0 CCADLP O=C(NCC1C[NH2+]C1)c1ccccc1C[NH+]1CCOCC1 ZINC000262025470 631760914 /nfs/dbraw/zinc/76/09/14/631760914.db2.gz NDHJIUDBKYDDBQ-UHFFFAOYSA-N 2 2 289.379 0.468 20 0 CCADLP Cc1cc[nH+]c(N)c1CN(CC[NH+](C)C)CC(=O)N(C)C ZINC000895261668 632041379 /nfs/dbraw/zinc/04/13/79/632041379.db2.gz WLQJBRZZTWMZKL-UHFFFAOYSA-N 2 2 293.415 0.424 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H](C[NH2+]CC2CC2)C1 ZINC000984858703 632330798 /nfs/dbraw/zinc/33/07/98/632330798.db2.gz NBHKJZXBVQVRTI-HAQNSBGRSA-N 2 2 262.357 0.847 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC([N@H+](C)CCF)CC1 ZINC000985750979 632635088 /nfs/dbraw/zinc/63/50/88/632635088.db2.gz IUIIFTOWLQBGPJ-UHFFFAOYSA-N 2 2 282.363 0.855 20 0 CCADLP O=C(N[C@@H]1CCC[N@@H+](CCO)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001007703446 650088514 /nfs/dbraw/zinc/08/85/14/650088514.db2.gz GVAACDRVPGIMRZ-QWHCGFSZSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(N[C@@H]1CCC[N@H+](CCO)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001007703446 650088517 /nfs/dbraw/zinc/08/85/17/650088517.db2.gz GVAACDRVPGIMRZ-QWHCGFSZSA-N 2 2 292.383 0.018 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@@H]1C ZINC000987433063 632868484 /nfs/dbraw/zinc/86/84/84/632868484.db2.gz KOURPKNMMXMOGE-DGCLKSJQSA-N 2 2 264.373 0.952 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCF)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000988742969 633100597 /nfs/dbraw/zinc/10/05/97/633100597.db2.gz JAATWAHSDIOOGI-GHMZBOCLSA-N 2 2 268.336 0.891 20 0 CCADLP CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCn2cc[nH+]c2)C1 ZINC000989266435 633180526 /nfs/dbraw/zinc/18/05/26/633180526.db2.gz MJMBFLZYJBIFIV-NEPJUHHUSA-N 2 2 250.346 0.872 20 0 CCADLP O=C(N[C@H]1CCn2c[nH+]cc2C1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000898098452 633278933 /nfs/dbraw/zinc/27/89/33/633278933.db2.gz ZARHDGYPPAVQFZ-STQMWFEESA-N 2 2 290.367 0.035 20 0 CCADLP COCC[N@@H+]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000989562632 633329642 /nfs/dbraw/zinc/32/96/42/633329642.db2.gz ISOFUPDWMDQWEH-UHFFFAOYSA-N 2 2 280.372 0.441 20 0 CCADLP COCC[N@H+]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000989562632 633329644 /nfs/dbraw/zinc/32/96/44/633329644.db2.gz ISOFUPDWMDQWEH-UHFFFAOYSA-N 2 2 280.372 0.441 20 0 CCADLP COC[C@H](C)[N@@H+]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000989563034 633329730 /nfs/dbraw/zinc/32/97/30/633329730.db2.gz QHDMFGLYXHWSDC-LBPRGKRZSA-N 2 2 294.399 0.830 20 0 CCADLP COC[C@H](C)[N@H+]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000989563034 633329734 /nfs/dbraw/zinc/32/97/34/633329734.db2.gz QHDMFGLYXHWSDC-LBPRGKRZSA-N 2 2 294.399 0.830 20 0 CCADLP C[C@H](C(=O)N1CC([NH+]2CCCC2)C1)[NH+]1CCSCC1 ZINC000898608184 633632768 /nfs/dbraw/zinc/63/27/68/633632768.db2.gz KIBUCAOXUBGEHS-GFCCVEGCSA-N 2 2 283.441 0.730 20 0 CCADLP O=C(N[C@H]1CCC[N@@H+](CCO)C1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001008486692 650116365 /nfs/dbraw/zinc/11/63/65/650116365.db2.gz IGZBKZBZOOKFKI-RYUDHWBXSA-N 2 2 292.383 0.403 20 0 CCADLP O=C(N[C@H]1CCC[N@H+](CCO)C1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001008486692 650116369 /nfs/dbraw/zinc/11/63/69/650116369.db2.gz IGZBKZBZOOKFKI-RYUDHWBXSA-N 2 2 292.383 0.403 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@H](CC[NH3+])C1 ZINC000899241905 633766157 /nfs/dbraw/zinc/76/61/57/633766157.db2.gz NUBIISMJZYIOHI-RYUDHWBXSA-N 2 2 265.361 0.652 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000899248907 633774073 /nfs/dbraw/zinc/77/40/73/633774073.db2.gz SJALJZWAAMXENW-GMTAPVOTSA-N 2 2 251.334 0.308 20 0 CCADLP O=C(CNc1cccc[nH+]1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000900371695 633998779 /nfs/dbraw/zinc/99/87/79/633998779.db2.gz GIQASETXNPKHNI-LLVKDONJSA-N 2 2 260.341 0.846 20 0 CCADLP O=C(CNc1cccc[nH+]1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000900371695 633998784 /nfs/dbraw/zinc/99/87/84/633998784.db2.gz GIQASETXNPKHNI-LLVKDONJSA-N 2 2 260.341 0.846 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000900600971 634050813 /nfs/dbraw/zinc/05/08/13/634050813.db2.gz CMIMGHCNSFLURG-KKUMJFAQSA-N 2 2 295.427 0.528 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000900600971 634050821 /nfs/dbraw/zinc/05/08/21/634050821.db2.gz CMIMGHCNSFLURG-KKUMJFAQSA-N 2 2 295.427 0.528 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1n[nH]cc1F ZINC000900692176 634071405 /nfs/dbraw/zinc/07/14/05/634071405.db2.gz FQRBNUCDWOIUHQ-UHFFFAOYSA-N 2 2 297.378 0.647 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1n[nH]cc1F ZINC000900692176 634071407 /nfs/dbraw/zinc/07/14/07/634071407.db2.gz FQRBNUCDWOIUHQ-UHFFFAOYSA-N 2 2 297.378 0.647 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000900791859 634088657 /nfs/dbraw/zinc/08/86/57/634088657.db2.gz IRBZAJFPPFIABD-LBPRGKRZSA-N 2 2 262.357 0.897 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000900966295 634135302 /nfs/dbraw/zinc/13/53/02/634135302.db2.gz RNCRKPXCUAIHDL-LBPRGKRZSA-N 2 2 278.356 0.133 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000907991654 635258335 /nfs/dbraw/zinc/25/83/35/635258335.db2.gz SAPCHLKFLSMORZ-AWEZNQCLSA-N 2 2 292.383 0.666 20 0 CCADLP C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000908314861 635341745 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O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC([NH2+]CCO)CC1 ZINC000996741266 638831012 /nfs/dbraw/zinc/83/10/12/638831012.db2.gz ZCKMNQHVWWBNBB-LBPRGKRZSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000997126859 638855310 /nfs/dbraw/zinc/85/53/10/638855310.db2.gz OSUYTAHIDPWLKN-GFCCVEGCSA-N 2 2 292.383 0.569 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000997181324 638858170 /nfs/dbraw/zinc/85/81/70/638858170.db2.gz YZXGWEHDKQPISO-UHFFFAOYSA-N 2 2 276.384 0.953 20 0 CCADLP CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC([NH2+]CCF)C1 ZINC000999011839 638954205 /nfs/dbraw/zinc/95/42/05/638954205.db2.gz QCJIDEGPDKRGSV-HIFPTAJRSA-N 2 2 294.374 0.994 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001016394217 639542286 /nfs/dbraw/zinc/54/22/86/639542286.db2.gz LIQOTSKEANZOJO-CQSZACIVSA-N 2 2 285.351 0.669 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001016394217 639542292 /nfs/dbraw/zinc/54/22/92/639542292.db2.gz LIQOTSKEANZOJO-CQSZACIVSA-N 2 2 285.351 0.669 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001014998611 650513061 /nfs/dbraw/zinc/51/30/61/650513061.db2.gz CQSGWDGVMWEFPO-NWDGAFQWSA-N 2 2 262.357 0.656 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001014998611 650513065 /nfs/dbraw/zinc/51/30/65/650513065.db2.gz CQSGWDGVMWEFPO-NWDGAFQWSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCC1([NH+](C)C)CC1 ZINC000922987944 639992663 /nfs/dbraw/zinc/99/26/63/639992663.db2.gz MMBPNZDWHBSJKT-OLZOCXBDSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCC1([NH+](C)C)CC1 ZINC000922987944 639992670 /nfs/dbraw/zinc/99/26/70/639992670.db2.gz MMBPNZDWHBSJKT-OLZOCXBDSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](c1cccnc1)[NH+]1CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923327834 640081530 /nfs/dbraw/zinc/08/15/30/640081530.db2.gz RPBPSYNGBNFIST-OEAJRASXSA-N 2 2 290.411 0.611 20 0 CCADLP C[C@H](c1cccnc1)N1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923327834 640081537 /nfs/dbraw/zinc/08/15/37/640081537.db2.gz RPBPSYNGBNFIST-OEAJRASXSA-N 2 2 290.411 0.611 20 0 CCADLP c1nc2n(n1)[C@H](C[N@@H+]1CC[C@]3(C1)CCCC[NH2+]3)CC2 ZINC000923530245 640178366 /nfs/dbraw/zinc/17/83/66/640178366.db2.gz HOMVMLSMVPQQRP-JSGCOSHPSA-N 2 2 261.373 0.983 20 0 CCADLP c1nc2n(n1)[C@H](C[N@H+]1CC[C@]3(C1)CCCC[NH2+]3)CC2 ZINC000923530245 640178371 /nfs/dbraw/zinc/17/83/71/640178371.db2.gz HOMVMLSMVPQQRP-JSGCOSHPSA-N 2 2 261.373 0.983 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NOCC1CC1 ZINC000838606874 640263722 /nfs/dbraw/zinc/26/37/22/640263722.db2.gz OXZATOYZVXODII-UHFFFAOYSA-N 2 2 298.431 0.995 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NOCC1CC1 ZINC000838606874 640263724 /nfs/dbraw/zinc/26/37/24/640263724.db2.gz OXZATOYZVXODII-UHFFFAOYSA-N 2 2 298.431 0.995 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001015622765 650595329 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Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001016002497 650673743 /nfs/dbraw/zinc/67/37/43/650673743.db2.gz VHEDVNYVHQCNQS-QWHCGFSZSA-N 2 2 292.383 0.190 20 0 CCADLP OCCCC[NH+]1CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000824782332 641845536 /nfs/dbraw/zinc/84/55/36/641845536.db2.gz HOZMZXYZQBPGBI-UHFFFAOYSA-N 2 2 278.400 0.719 20 0 CCADLP O=C(C[NH+]1CCCC1)N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC000825199347 641873563 /nfs/dbraw/zinc/87/35/63/641873563.db2.gz XRABYSCCHXUGMV-OAHLLOKOSA-N 2 2 289.379 0.961 20 0 CCADLP Cc1oncc1C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016250243 650704625 /nfs/dbraw/zinc/70/46/25/650704625.db2.gz BUNGOAFOEUAUTQ-AWEZNQCLSA-N 2 2 292.383 0.769 20 0 CCADLP Cc1oncc1C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016250243 650704629 /nfs/dbraw/zinc/70/46/29/650704629.db2.gz BUNGOAFOEUAUTQ-AWEZNQCLSA-N 2 2 292.383 0.769 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000828608667 642109429 /nfs/dbraw/zinc/10/94/29/642109429.db2.gz GHRRQAIRLMRAKW-LBPRGKRZSA-N 2 2 269.389 0.341 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000828608667 642109435 /nfs/dbraw/zinc/10/94/35/642109435.db2.gz GHRRQAIRLMRAKW-LBPRGKRZSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H]1CN(C(=O)C[NH2+][C@@H](C[NH3+])C2CCCCC2)CCO1 ZINC000842476697 642899587 /nfs/dbraw/zinc/89/95/87/642899587.db2.gz SLEYAINXZYSCOU-JSGCOSHPSA-N 2 2 283.416 0.731 20 0 CCADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(=O)NC(=O)NC1CC1 ZINC000843361903 643038571 /nfs/dbraw/zinc/03/85/71/643038571.db2.gz NOEJVRSVUSAJGA-CLYYMRHHSA-N 2 2 280.372 0.319 20 0 CCADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=O)NC(=O)NC1CC1 ZINC000843361903 643038575 /nfs/dbraw/zinc/03/85/75/643038575.db2.gz NOEJVRSVUSAJGA-CLYYMRHHSA-N 2 2 280.372 0.319 20 0 CCADLP O=C(CO[C@H]1CCC[NH2+]C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000844174645 643172246 /nfs/dbraw/zinc/17/22/46/643172246.db2.gz PPVYKNZXIYXQFS-OLZOCXBDSA-N 2 2 292.383 0.884 20 0 CCADLP C[N@H+](CC(F)F)C1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000844187107 643176798 /nfs/dbraw/zinc/17/67/98/643176798.db2.gz BBGZHOPISPVLRG-PJXYFTJBSA-N 2 2 287.354 0.640 20 0 CCADLP C[N@@H+](CC(F)F)C1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000844187107 643176804 /nfs/dbraw/zinc/17/68/04/643176804.db2.gz BBGZHOPISPVLRG-PJXYFTJBSA-N 2 2 287.354 0.640 20 0 CCADLP C[N@@H+](Cc1ccc(-n2ccnc2)nc1)C[C@H](O)C[NH3+] ZINC000844223711 643186679 /nfs/dbraw/zinc/18/66/79/643186679.db2.gz AHGZRMJWONVTNU-GFCCVEGCSA-N 2 2 261.329 0.019 20 0 CCADLP C[N@H+](Cc1ccc(-n2ccnc2)nc1)C[C@H](O)C[NH3+] ZINC000844223711 643186682 /nfs/dbraw/zinc/18/66/82/643186682.db2.gz AHGZRMJWONVTNU-GFCCVEGCSA-N 2 2 261.329 0.019 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CCO1 ZINC000847306364 643502807 /nfs/dbraw/zinc/50/28/07/643502807.db2.gz QZFVRZBMQRGHSG-MELADBBJSA-N 2 2 298.431 0.347 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CCO1 ZINC000847306364 643502809 /nfs/dbraw/zinc/50/28/09/643502809.db2.gz QZFVRZBMQRGHSG-MELADBBJSA-N 2 2 298.431 0.347 20 0 CCADLP C[C@@H](CNC(=O)[C@]1(F)CC[NH2+]C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848432225 643637024 /nfs/dbraw/zinc/63/70/24/643637024.db2.gz WEANNEQYOCWKHL-FMSGJZPZSA-N 2 2 287.379 0.302 20 0 CCADLP C[C@@H](CNC(=O)[C@]1(F)CC[NH2+]C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848432225 643637028 /nfs/dbraw/zinc/63/70/28/643637028.db2.gz WEANNEQYOCWKHL-FMSGJZPZSA-N 2 2 287.379 0.302 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC2=C(CCC(=O)N2)C1)C1CC1 ZINC000852296605 643950269 /nfs/dbraw/zinc/95/02/69/643950269.db2.gz ZFHSXOGDGARASN-CYBMUJFWSA-N 2 2 279.384 0.311 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC2=C(CCC(=O)N2)C1)C1CC1 ZINC000852296605 643950271 /nfs/dbraw/zinc/95/02/71/643950271.db2.gz ZFHSXOGDGARASN-CYBMUJFWSA-N 2 2 279.384 0.311 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC2=C(CCC(=O)N2)C1)C1CC1 ZINC000852296605 643950273 /nfs/dbraw/zinc/95/02/73/643950273.db2.gz ZFHSXOGDGARASN-CYBMUJFWSA-N 2 2 279.384 0.311 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCC2=C(CCC(=O)N2)C1)C1CC1 ZINC000852296605 643950276 /nfs/dbraw/zinc/95/02/76/643950276.db2.gz ZFHSXOGDGARASN-CYBMUJFWSA-N 2 2 279.384 0.311 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)C=C2CC[NH2+]CC2)CCO1 ZINC000852862779 644029682 /nfs/dbraw/zinc/02/96/82/644029682.db2.gz GGQPLTYTCYXSLP-LBPRGKRZSA-N 2 2 267.373 0.133 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)C=C2CC[NH2+]CC2)CCO1 ZINC000852862779 644029685 /nfs/dbraw/zinc/02/96/85/644029685.db2.gz GGQPLTYTCYXSLP-LBPRGKRZSA-N 2 2 267.373 0.133 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C=C1CC[NH2+]CC1 ZINC000852866425 644031738 /nfs/dbraw/zinc/03/17/38/644031738.db2.gz XAYGZYKVHKHYMD-LBPRGKRZSA-N 2 2 267.373 0.133 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C=C1CC[NH2+]CC1 ZINC000852866425 644031742 /nfs/dbraw/zinc/03/17/42/644031742.db2.gz XAYGZYKVHKHYMD-LBPRGKRZSA-N 2 2 267.373 0.133 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000857107804 644468426 /nfs/dbraw/zinc/46/84/26/644468426.db2.gz IKBVQKZUOBGYFS-RYUDHWBXSA-N 2 2 272.393 0.086 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001019039951 650932600 /nfs/dbraw/zinc/93/26/00/650932600.db2.gz ATKMHMKQGGHDRJ-JQWIXIFHSA-N 2 2 288.351 0.748 20 0 CCADLP O[C@@H](C[NH2+]Cc1ccnc(F)c1)C[NH+]1CCCC1 ZINC000858106703 644593961 /nfs/dbraw/zinc/59/39/61/644593961.db2.gz PBIYMHRISUMUQB-LBPRGKRZSA-N 2 2 253.321 0.767 20 0 CCADLP C[C@H]([NH3+])CN(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000861556823 644892178 /nfs/dbraw/zinc/89/21/78/644892178.db2.gz RBSNFSACWFJURL-NSHDSACASA-N 2 2 265.361 0.872 20 0 CCADLP CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cnon2)C1)[NH+](C)C ZINC001019343105 650964277 /nfs/dbraw/zinc/96/42/77/650964277.db2.gz XXSHMSRXOCSCJF-WCQYABFASA-N 2 2 295.387 0.346 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000862214039 644984644 /nfs/dbraw/zinc/98/46/44/644984644.db2.gz CDNZMRMIAUBNFT-UHFFFAOYSA-N 2 2 292.383 0.584 20 0 CCADLP C[C@H]1CSC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000862464505 645001475 /nfs/dbraw/zinc/00/14/75/645001475.db2.gz AGFMUHQLFWOWNM-TUAOUCFPSA-N 2 2 271.430 0.667 20 0 CCADLP C[C@H]1CSC[C@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000862464505 645001481 /nfs/dbraw/zinc/00/14/81/645001481.db2.gz AGFMUHQLFWOWNM-TUAOUCFPSA-N 2 2 271.430 0.667 20 0 CCADLP Cn1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)n1 ZINC001019437354 650972943 /nfs/dbraw/zinc/97/29/43/650972943.db2.gz KKKCZSOIGRLFKH-LBPRGKRZSA-N 2 2 288.355 0.076 20 0 CCADLP O[C@H](C[NH2+][C@@H]1COc2ccccc2[C@H]1O)C[NH+]1CCCC1 ZINC000863564422 645108179 /nfs/dbraw/zinc/10/81/79/645108179.db2.gz WXNFTIHOUSSJJY-XNRPHZJLSA-N 2 2 292.379 0.527 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001019656533 650994919 /nfs/dbraw/zinc/99/49/19/650994919.db2.gz LIOJDAXZTIBNAM-JTQLQIEISA-N 2 2 250.346 0.898 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cn(C[C@H]2CCCO2)nn1 ZINC000865411377 645364854 /nfs/dbraw/zinc/36/48/54/645364854.db2.gz CNBQNHJTWTUMPZ-GXTWGEPZSA-N 2 2 290.371 0.832 20 0 CCADLP O=C([C@H](O)c1c[nH+]c[nH]1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000865588348 645385221 /nfs/dbraw/zinc/38/52/21/645385221.db2.gz CQFWYXFWUZURMS-DGCLKSJQSA-N 2 2 278.356 0.530 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CC(C)(C)CS(N)(=O)=O)n1C ZINC000865813862 645423050 /nfs/dbraw/zinc/42/30/50/645423050.db2.gz KWDLKUBTKDIQBZ-UHFFFAOYSA-N 2 2 274.390 0.133 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]([NH2+]Cc2ccns2)C1 ZINC001019867748 651011368 /nfs/dbraw/zinc/01/13/68/651011368.db2.gz IFEDMARJYNWJKS-NSHDSACASA-N 2 2 291.380 0.730 20 0 CCADLP O=C([C@H](O)c1c[nH+]c[nH]1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000866010298 645461682 /nfs/dbraw/zinc/46/16/82/645461682.db2.gz VVNBZGYEXXQESN-DGCLKSJQSA-N 2 2 278.356 0.387 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000868165322 645727657 /nfs/dbraw/zinc/72/76/57/645727657.db2.gz AEBYMWSOLXLNPZ-MRVPVSSYSA-N 2 2 279.266 0.499 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[C@@H](C)CO1 ZINC000870953181 646060758 /nfs/dbraw/zinc/06/07/58/646060758.db2.gz OCPDZCOUMFPZOT-AIUMHDJVSA-N 2 2 281.400 0.339 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[C@@H](C)CO1 ZINC000870953181 646060762 /nfs/dbraw/zinc/06/07/62/646060762.db2.gz OCPDZCOUMFPZOT-AIUMHDJVSA-N 2 2 281.400 0.339 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CCO1 ZINC000872280381 646237779 /nfs/dbraw/zinc/23/77/79/646237779.db2.gz LMDIHQIFGKJIRE-MCIONIFRSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CCO1 ZINC000872280381 646237784 /nfs/dbraw/zinc/23/77/84/646237784.db2.gz LMDIHQIFGKJIRE-MCIONIFRSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H](O)[C@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)CCO1 ZINC000873214114 646359548 /nfs/dbraw/zinc/35/95/48/646359548.db2.gz YAXOTXPUOZMUGE-ZWNOBZJWSA-N 2 2 282.409 0.975 20 0 CCADLP C[C@@H](O)[C@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)CCO1 ZINC000873214114 646359551 /nfs/dbraw/zinc/35/95/51/646359551.db2.gz YAXOTXPUOZMUGE-ZWNOBZJWSA-N 2 2 282.409 0.975 20 0 CCADLP C[C@H](O)[C@@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)CCO1 ZINC000873214111 646359852 /nfs/dbraw/zinc/35/98/52/646359852.db2.gz YAXOTXPUOZMUGE-GWCFXTLKSA-N 2 2 282.409 0.975 20 0 CCADLP C[C@H](O)[C@@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)CCO1 ZINC000873214111 646359859 /nfs/dbraw/zinc/35/98/59/646359859.db2.gz YAXOTXPUOZMUGE-GWCFXTLKSA-N 2 2 282.409 0.975 20 0 CCADLP C[C@H]([NH2+]C[C@]12COC(=O)N1CCOC2)[C@@H]1CCCC[NH2+]1 ZINC000873250087 646366032 /nfs/dbraw/zinc/36/60/32/646366032.db2.gz OZRSLGBEMPFSMX-OBJOEFQTSA-N 2 2 283.372 0.328 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000873251459 646366133 /nfs/dbraw/zinc/36/61/33/646366133.db2.gz KPPRJVNRBYPNNE-RBSFLKMASA-N 2 2 298.427 0.929 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000874830302 646488561 /nfs/dbraw/zinc/48/85/61/646488561.db2.gz QQANWRYMSMCTQB-OLZOCXBDSA-N 2 2 262.357 0.956 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000874830302 646488563 /nfs/dbraw/zinc/48/85/63/646488563.db2.gz QQANWRYMSMCTQB-OLZOCXBDSA-N 2 2 262.357 0.956 20 0 CCADLP [NH3+][C@@H]1CCC[C@H](NC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000876829766 646676014 /nfs/dbraw/zinc/67/60/14/646676014.db2.gz YHJQXXHKBLUMOD-MHDDQSTRSA-N 2 2 267.373 0.261 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000877327911 646794814 /nfs/dbraw/zinc/79/48/14/646794814.db2.gz ZHVCZBQKMYAZDV-LBPRGKRZSA-N 2 2 292.383 0.536 20 0 CCADLP Cn1nnnc1CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000878252453 646885845 /nfs/dbraw/zinc/88/58/45/646885845.db2.gz LNNXMHPTLTYPRG-SNVBAGLBSA-N 2 2 261.333 0.355 20 0 CCADLP Cn1nnnc1CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000878252453 646885847 /nfs/dbraw/zinc/88/58/47/646885847.db2.gz LNNXMHPTLTYPRG-SNVBAGLBSA-N 2 2 261.333 0.355 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC([C@@H](F)C(N)=O)CC1 ZINC000879044485 647019598 /nfs/dbraw/zinc/01/95/98/647019598.db2.gz RNGFGDOJOLKECX-QWHCGFSZSA-N 2 2 289.395 0.223 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC([C@@H](F)C(N)=O)CC1 ZINC000879044485 647019602 /nfs/dbraw/zinc/01/96/02/647019602.db2.gz RNGFGDOJOLKECX-QWHCGFSZSA-N 2 2 289.395 0.223 20 0 CCADLP C[C@@H]1C[N@H+](Cc2cnnn2C)CCN1c1cc[nH+]cc1 ZINC000880258827 647176387 /nfs/dbraw/zinc/17/63/87/647176387.db2.gz CVZWHKYDJXUKMC-GFCCVEGCSA-N 2 2 272.356 0.921 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2cnnn2C)CCN1c1cc[nH+]cc1 ZINC000880258827 647176395 /nfs/dbraw/zinc/17/63/95/647176395.db2.gz CVZWHKYDJXUKMC-GFCCVEGCSA-N 2 2 272.356 0.921 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261527 647176837 /nfs/dbraw/zinc/17/68/37/647176837.db2.gz LQYVKLSKRYMERQ-MNOVXSKESA-N 2 2 291.355 0.176 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261527 647176838 /nfs/dbraw/zinc/17/68/38/647176838.db2.gz LQYVKLSKRYMERQ-MNOVXSKESA-N 2 2 291.355 0.176 20 0 CCADLP O=C1NCC[C@@H]2CCC[N@H+](CCCn3cc[nH+]c3)[C@H]12 ZINC000880531741 647224998 /nfs/dbraw/zinc/22/49/98/647224998.db2.gz YZVNCBWGDVSJFO-STQMWFEESA-N 2 2 262.357 0.874 20 0 CCADLP O=C1NCC[C@@H]2CCC[N@@H+](CCCn3cc[nH+]c3)[C@H]12 ZINC000880531741 647225005 /nfs/dbraw/zinc/22/50/05/647225005.db2.gz YZVNCBWGDVSJFO-STQMWFEESA-N 2 2 262.357 0.874 20 0 CCADLP Cc1nc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)nc(N)[nH+]1 ZINC000882727093 647438823 /nfs/dbraw/zinc/43/88/23/647438823.db2.gz LUXBXJYOOGBXKA-LBPRGKRZSA-N 2 2 292.387 0.500 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCc2nnnn2C)[C@@H]1C ZINC000883446193 647528602 /nfs/dbraw/zinc/52/86/02/647528602.db2.gz ZBUGRFOUVOSYLF-GMTAPVOTSA-N 2 2 252.366 0.200 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCc2nnnn2C)[C@@H]1C ZINC000883446193 647528607 /nfs/dbraw/zinc/52/86/07/647528607.db2.gz ZBUGRFOUVOSYLF-GMTAPVOTSA-N 2 2 252.366 0.200 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@H]1C[NH2+]CC1(C)C)[NH+]1CCOCC1 ZINC000884212591 647669900 /nfs/dbraw/zinc/66/99/00/647669900.db2.gz JCFOOPDXDTXLDX-YNEHKIRRSA-N 2 2 283.416 0.457 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCOCC(F)(F)F ZINC000134010367 647670605 /nfs/dbraw/zinc/67/06/05/647670605.db2.gz WHSOPWKRVMTKFW-VHSXEESVSA-N 2 2 270.295 0.922 20 0 CCADLP O=S(=O)(CCn1cc[nH+]c1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884959247 647818009 /nfs/dbraw/zinc/81/80/09/647818009.db2.gz KIGKWKMSUGEEDT-QWHCGFSZSA-N 2 2 298.412 0.429 20 0 CCADLP O=S(=O)(CCn1cc[nH+]c1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000884959247 647818011 /nfs/dbraw/zinc/81/80/11/647818011.db2.gz KIGKWKMSUGEEDT-QWHCGFSZSA-N 2 2 298.412 0.429 20 0 CCADLP Cc1n[nH]c(C[NH2+]CCC[NH+]2CCC(O)CC2)c1C ZINC000885940954 647887276 /nfs/dbraw/zinc/88/72/76/647887276.db2.gz WOIOCGYBIGRBGC-UHFFFAOYSA-N 2 2 266.389 0.963 20 0 CCADLP O=C(C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1)NC[C@@H]1CCCO1 ZINC000886871924 648028212 /nfs/dbraw/zinc/02/82/12/648028212.db2.gz FCOQAAQHPXAMHM-GOEBONIOSA-N 2 2 295.427 0.747 20 0 CCADLP O=C(C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1)NC[C@@H]1CCCO1 ZINC000886871924 648028214 /nfs/dbraw/zinc/02/82/14/648028214.db2.gz FCOQAAQHPXAMHM-GOEBONIOSA-N 2 2 295.427 0.747 20 0 CCADLP CCn1cc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)nn1 ZINC000887553593 648128366 /nfs/dbraw/zinc/12/83/66/648128366.db2.gz CMHCLROFPIRSJW-UHFFFAOYSA-N 2 2 294.447 0.756 20 0 CCADLP CCn1cc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)nn1 ZINC000887553593 648128369 /nfs/dbraw/zinc/12/83/69/648128369.db2.gz CMHCLROFPIRSJW-UHFFFAOYSA-N 2 2 294.447 0.756 20 0 CCADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cnnn1C ZINC000925554452 648442816 /nfs/dbraw/zinc/44/28/16/648442816.db2.gz AMLXGOUEZVKVGR-WHOFXGATSA-N 2 2 293.415 0.844 20 0 CCADLP O=S1(=O)CCC[C@H]1CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925765598 648459347 /nfs/dbraw/zinc/45/93/47/648459347.db2.gz LOHAOKGKXBJJOJ-NWDGAFQWSA-N 2 2 272.414 0.828 20 0 CCADLP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cn(C2CC2)c(=O)[nH]c1=O ZINC000925766856 648459405 /nfs/dbraw/zinc/45/94/05/648459405.db2.gz SOGKFYKYDGSEPO-QWRGUYRKSA-N 2 2 264.329 0.253 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000925770812 648460644 /nfs/dbraw/zinc/46/06/44/648460644.db2.gz VGWZSDQFELIFLM-ARFHVFGLSA-N 3 2 298.475 0.498 20 0 CCADLP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925842281 648465211 /nfs/dbraw/zinc/46/52/11/648465211.db2.gz LDOBCPMUQRIQMG-KBPBESRZSA-N 3 2 254.422 0.531 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCOC1CCOCC1 ZINC000925877603 648468161 /nfs/dbraw/zinc/46/81/61/648468161.db2.gz KICYXEQAUMKUSB-OLZOCXBDSA-N 2 2 272.389 0.539 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cnnn1C ZINC000926288654 648495152 /nfs/dbraw/zinc/49/51/52/648495152.db2.gz WIVIZFQIEMDDCP-CHWSQXEVSA-N 2 2 281.404 0.967 20 0 CCADLP C[C@@H]1COC[C@@H]1[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000926865443 648531490 /nfs/dbraw/zinc/53/14/90/648531490.db2.gz JTCZZZLTPWLXBA-PMPSAXMXSA-N 2 2 297.443 0.408 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928084689 648613904 /nfs/dbraw/zinc/61/39/04/648613904.db2.gz DZQKXEXNZASVPK-AAEUAGOBSA-N 2 2 294.424 0.957 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928084689 648613906 /nfs/dbraw/zinc/61/39/06/648613906.db2.gz DZQKXEXNZASVPK-AAEUAGOBSA-N 2 2 294.424 0.957 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1CC[N@H+]1C ZINC000928562977 648649111 /nfs/dbraw/zinc/64/91/11/648649111.db2.gz NMBRMNYUPCMORB-LBPRGKRZSA-N 2 2 250.346 0.792 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928562977 648649116 /nfs/dbraw/zinc/64/91/16/648649116.db2.gz NMBRMNYUPCMORB-LBPRGKRZSA-N 2 2 250.346 0.792 20 0 CCADLP O[C@H](C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C1(O)CCC1 ZINC000929992928 648810200 /nfs/dbraw/zinc/81/02/00/648810200.db2.gz YKGXQRWLAUBAEM-NWDGAFQWSA-N 2 2 265.357 0.865 20 0 CCADLP O[C@H](C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C1(O)CCC1 ZINC000929992928 648810204 /nfs/dbraw/zinc/81/02/04/648810204.db2.gz YKGXQRWLAUBAEM-NWDGAFQWSA-N 2 2 265.357 0.865 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H]2C[C@H]3COC[C@H]3O2)CC1 ZINC000930066622 648817932 /nfs/dbraw/zinc/81/79/32/648817932.db2.gz HAVXREWTZQKQCO-MELADBBJSA-N 2 2 292.383 0.346 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000930623352 648882655 /nfs/dbraw/zinc/88/26/55/648882655.db2.gz QJYJGUKEHUCALY-PWSUYJOCSA-N 2 2 264.316 0.145 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000930623352 648882657 /nfs/dbraw/zinc/88/26/57/648882657.db2.gz QJYJGUKEHUCALY-PWSUYJOCSA-N 2 2 264.316 0.145 20 0 CCADLP Cc1[nH]c(CN2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c(C)[nH+]1 ZINC000930645664 648886247 /nfs/dbraw/zinc/88/62/47/648886247.db2.gz ZWSUXIXRPGXKJI-PHIMTYICSA-N 2 2 266.389 0.913 20 0 CCADLP Cc1[nH]c(CN2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c(C)[nH+]1 ZINC000930645664 648886250 /nfs/dbraw/zinc/88/62/50/648886250.db2.gz ZWSUXIXRPGXKJI-PHIMTYICSA-N 2 2 266.389 0.913 20 0 CCADLP C[C@H]1C[N@H+](CCN2CC[NH+](CCCCCO)CC2)CCO1 ZINC000931497832 648996452 /nfs/dbraw/zinc/99/64/52/648996452.db2.gz WMQLNVAXNDNGDM-INIZCTEOSA-N 2 2 299.459 0.487 20 0 CCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC(=O)N1CCOCC1 ZINC000931726338 649023191 /nfs/dbraw/zinc/02/31/91/649023191.db2.gz MASRSZULPMBYQA-UONOGXRCSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCC(=O)N1CCOCC1 ZINC000931726338 649023194 /nfs/dbraw/zinc/02/31/94/649023194.db2.gz MASRSZULPMBYQA-UONOGXRCSA-N 2 2 281.400 0.404 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCC(=O)N1CCOCC1 ZINC000931726338 649023198 /nfs/dbraw/zinc/02/31/98/649023198.db2.gz MASRSZULPMBYQA-UONOGXRCSA-N 2 2 281.400 0.404 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCC(=O)N1CCOCC1 ZINC000931726338 649023201 /nfs/dbraw/zinc/02/32/01/649023201.db2.gz MASRSZULPMBYQA-UONOGXRCSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC2(CC1)C[C@H](O)CCO2)C1CC1 ZINC000933053999 649109621 /nfs/dbraw/zinc/10/96/21/649109621.db2.gz FJYBFBMTCMPSEY-CABCVRRESA-N 2 2 298.427 0.447 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC2(CC1)C[C@H](O)CCO2)C1CC1 ZINC000933053999 649109623 /nfs/dbraw/zinc/10/96/23/649109623.db2.gz FJYBFBMTCMPSEY-CABCVRRESA-N 2 2 298.427 0.447 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@](C)(Cn1cccn1)C(N)=O ZINC000934221622 649162349 /nfs/dbraw/zinc/16/23/49/649162349.db2.gz QKLWOHWCTFXGER-JSGCOSHPSA-N 2 2 279.388 0.201 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH2+][C@@](C)(Cn1cccn1)C(N)=O ZINC000934221622 649162354 /nfs/dbraw/zinc/16/23/54/649162354.db2.gz QKLWOHWCTFXGER-JSGCOSHPSA-N 2 2 279.388 0.201 20 0 CCADLP CC[NH+](CC)CCC[NH2+][C@@](C)(Cn1cccn1)C(N)=O ZINC000934221755 649163173 /nfs/dbraw/zinc/16/31/73/649163173.db2.gz SRSDBVOVRXDDIW-AWEZNQCLSA-N 2 2 281.404 0.449 20 0 CCADLP [NH3+]CCCCCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000155481756 649291470 /nfs/dbraw/zinc/29/14/70/649291470.db2.gz VUGKOKFBXHRTPR-AWEZNQCLSA-N 2 2 283.416 0.829 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCC[C@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000948886584 649400087 /nfs/dbraw/zinc/40/00/87/649400087.db2.gz OXTQWJYNOJRHHK-OLZOCXBDSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@@H](O)C[N@H+]1CCC[C@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000948886584 649400093 /nfs/dbraw/zinc/40/00/93/649400093.db2.gz OXTQWJYNOJRHHK-OLZOCXBDSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001114956349 790381609 /nfs/dbraw/zinc/38/16/09/790381609.db2.gz FUJNZFXHZJPPSD-ZZVYKPCYSA-N 2 2 292.383 0.017 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001114956349 790381622 /nfs/dbraw/zinc/38/16/22/790381622.db2.gz FUJNZFXHZJPPSD-ZZVYKPCYSA-N 2 2 292.383 0.017 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001114956349 790381632 /nfs/dbraw/zinc/38/16/32/790381632.db2.gz FUJNZFXHZJPPSD-ZZVYKPCYSA-N 2 2 292.383 0.017 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001114956349 790381642 /nfs/dbraw/zinc/38/16/42/790381642.db2.gz FUJNZFXHZJPPSD-ZZVYKPCYSA-N 2 2 292.383 0.017 20 0 CCADLP CCC[N@H+](C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001266289031 790423580 /nfs/dbraw/zinc/42/35/80/790423580.db2.gz YZRWXCYUFJRPGH-GFCCVEGCSA-N 2 2 264.373 0.904 20 0 CCADLP CCC[N@@H+](C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001266289031 790423585 /nfs/dbraw/zinc/42/35/85/790423585.db2.gz YZRWXCYUFJRPGH-GFCCVEGCSA-N 2 2 264.373 0.904 20 0 CCADLP CCOCC[NH2+]CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001167435686 791084298 /nfs/dbraw/zinc/08/42/98/791084298.db2.gz KCQCFVQAOJWWOK-CYBMUJFWSA-N 2 2 282.388 0.967 20 0 CCADLP O=c1[nH]cc(C[NH+]2CCC([NH+]3CCCC3)CC2)c(=O)[nH]1 ZINC001231700800 805834715 /nfs/dbraw/zinc/83/47/15/805834715.db2.gz BDOCMMATIIXGLL-UHFFFAOYSA-N 2 2 278.356 0.948 20 0 CCADLP C[NH+]1CCN(C2C[NH+](Cc3ccc4c[nH]nc4c3)C2)CC1 ZINC001231908405 805867250 /nfs/dbraw/zinc/86/72/50/805867250.db2.gz AJNGUGGQPRJCQR-UHFFFAOYSA-N 2 2 285.395 0.995 20 0 CCADLP COCCOCN1C[C@H]2C[C@@H](C1)[N@@H+](C1CC[NH+](C)CC1)C2 ZINC001277627019 805907060 /nfs/dbraw/zinc/90/70/60/805907060.db2.gz LRQHMIRADNNAHZ-ZBFHGGJFSA-N 2 2 297.443 0.707 20 0 CCADLP COCCOCN1C[C@H]2C[C@@H](C1)[N@H+](C1CC[NH+](C)CC1)C2 ZINC001277627019 805907069 /nfs/dbraw/zinc/90/70/69/805907069.db2.gz LRQHMIRADNNAHZ-ZBFHGGJFSA-N 2 2 297.443 0.707 20 0 CCADLP CCOCCC[NH+]1CC(N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001277660723 805932912 /nfs/dbraw/zinc/93/29/12/805932912.db2.gz ZXYHEZBTDVZRNI-AWEZNQCLSA-N 2 2 285.432 0.896 20 0 CCADLP Cc1[nH]c(CN2CCN(CCC[NH+](C)C)CC2)c[nH+]1 ZINC001232463930 805941953 /nfs/dbraw/zinc/94/19/53/805941953.db2.gz PEBQVPJHILBABJ-UHFFFAOYSA-N 2 2 265.405 0.787 20 0 CCADLP CN(C(=O)Cc1[nH]cc[nH+]1)[C@H](C[NH2+]CCF)C1CC1 ZINC001277708827 805973797 /nfs/dbraw/zinc/97/37/97/805973797.db2.gz AHEHNWMJGZUOOI-LLVKDONJSA-N 2 2 268.336 0.748 20 0 CCADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000723881703 791309009 /nfs/dbraw/zinc/30/90/09/791309009.db2.gz CYMRAGUYWFXQBH-MNOVXSKESA-N 2 2 262.419 0.787 20 0 CCADLP [NH3+]CCNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000891977688 791448467 /nfs/dbraw/zinc/44/84/67/791448467.db2.gz ODAWFURSTCOOCK-CYBMUJFWSA-N 2 2 273.340 0.882 20 0 CCADLP CO[C@H](C)C[NH2+]CC1(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001167528793 791510775 /nfs/dbraw/zinc/51/07/75/791510775.db2.gz KRPLODJEGDKXDH-GFCCVEGCSA-N 2 2 294.399 0.863 20 0 CCADLP COCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001267134100 791580226 /nfs/dbraw/zinc/58/02/26/791580226.db2.gz PNMXGZOERSSVMT-CHWSQXEVSA-N 2 2 294.399 0.576 20 0 CCADLP CC[NH2+][C@@H](C)CCNC(=O)CCc1[nH+]ccn1C ZINC001267135907 791581540 /nfs/dbraw/zinc/58/15/40/791581540.db2.gz OOUIUSKDTSPIAZ-NSHDSACASA-N 2 2 252.362 0.857 20 0 CCADLP CC(C)CC[NH2+]CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001267144049 791588546 /nfs/dbraw/zinc/58/85/46/791588546.db2.gz XYJLQDQMNARCKO-UHFFFAOYSA-N 2 2 252.362 0.977 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001234012209 806168860 /nfs/dbraw/zinc/16/88/60/806168860.db2.gz OTSRKPJUGKPTQB-NEPJUHHUSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001234012209 806168861 /nfs/dbraw/zinc/16/88/61/806168861.db2.gz OTSRKPJUGKPTQB-NEPJUHHUSA-N 2 2 280.372 0.256 20 0 CCADLP CCOCC[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001277858408 806248285 /nfs/dbraw/zinc/24/82/85/806248285.db2.gz PKZQGISWJIAUSS-INIZCTEOSA-N 2 2 297.443 0.899 20 0 CCADLP CCOCC[N@H+]1CCC[C@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001277858408 806248289 /nfs/dbraw/zinc/24/82/89/806248289.db2.gz PKZQGISWJIAUSS-INIZCTEOSA-N 2 2 297.443 0.899 20 0 CCADLP CCOCC[NH+]1CCC[C@]2(CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001277858408 806248295 /nfs/dbraw/zinc/24/82/95/806248295.db2.gz PKZQGISWJIAUSS-INIZCTEOSA-N 2 2 297.443 0.899 20 0 CCADLP CCOCC[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001277858408 806248298 /nfs/dbraw/zinc/24/82/98/806248298.db2.gz PKZQGISWJIAUSS-INIZCTEOSA-N 2 2 297.443 0.899 20 0 CCADLP CCOCC[N@@H+]1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001277858595 806248564 /nfs/dbraw/zinc/24/85/64/806248564.db2.gz SEDCFEJWTWDQNH-GASCZTMLSA-N 2 2 294.399 0.305 20 0 CCADLP CCOCC[N@H+]1C[C@@H]2COC[C@H](C1)N2CCn1cc[nH+]c1 ZINC001277858595 806248568 /nfs/dbraw/zinc/24/85/68/806248568.db2.gz SEDCFEJWTWDQNH-GASCZTMLSA-N 2 2 294.399 0.305 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)O1 ZINC001235038112 806350366 /nfs/dbraw/zinc/35/03/66/806350366.db2.gz SZGIINHMPPPVPZ-FRRDWIJNSA-N 3 2 269.389 0.021 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)O1 ZINC001235038112 806350375 /nfs/dbraw/zinc/35/03/75/806350375.db2.gz SZGIINHMPPPVPZ-FRRDWIJNSA-N 3 2 269.389 0.021 20 0 CCADLP Cc1cc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)ccc1O ZINC001235054398 806358455 /nfs/dbraw/zinc/35/84/55/806358455.db2.gz NEJKKXFZMBWJPR-HNNXBMFYSA-N 2 2 261.369 0.838 20 0 CCADLP Cc1cc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)ccc1O ZINC001235054398 806358463 /nfs/dbraw/zinc/35/84/63/806358463.db2.gz NEJKKXFZMBWJPR-HNNXBMFYSA-N 2 2 261.369 0.838 20 0 CCADLP Cc1ccc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c(C)n1 ZINC001235062069 806363166 /nfs/dbraw/zinc/36/31/66/806363166.db2.gz LPGFATDMVQXAET-HNNXBMFYSA-N 2 2 260.385 0.836 20 0 CCADLP Cc1ccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c(C)n1 ZINC001235062069 806363177 /nfs/dbraw/zinc/36/31/77/806363177.db2.gz LPGFATDMVQXAET-HNNXBMFYSA-N 2 2 260.385 0.836 20 0 CCADLP c1cc2c(c(C[N@@H+]3CCN[C@@]4(CC[NH2+]C4)C3)c1)OCC2 ZINC001235063784 806366773 /nfs/dbraw/zinc/36/67/73/806366773.db2.gz PULVJOHLUODTPL-MRXNPFEDSA-N 2 2 273.380 0.759 20 0 CCADLP c1cc2c(c(C[N@H+]3CCN[C@@]4(CC[NH2+]C4)C3)c1)OCC2 ZINC001235063784 806366781 /nfs/dbraw/zinc/36/67/81/806366781.db2.gz PULVJOHLUODTPL-MRXNPFEDSA-N 2 2 273.380 0.759 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC(OC3CC[NH2+]CC3)CC2)O1 ZINC001235296004 806400831 /nfs/dbraw/zinc/40/08/31/806400831.db2.gz TXBMGVLTXUSHDB-HNNXBMFYSA-N 3 2 297.443 0.944 20 0 CCADLP CC(=O)NC[C@H]1c2[nH+]cn(C(C)C)c2CCN1CC[NH3+] ZINC001235517299 806444002 /nfs/dbraw/zinc/44/40/02/806444002.db2.gz NLRCHJJLTKBNAA-ZDUSSCGKSA-N 2 2 279.388 0.458 20 0 CCADLP C[C@H]([NH3+])C[NH+]1CCC2(CCOC[C@H]2NC(=O)N(C)C)CC1 ZINC001235554194 806454614 /nfs/dbraw/zinc/45/46/14/806454614.db2.gz GBBDWCNTHYFGDR-QWHCGFSZSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1C[C@H]2CN(C(=O)c3ccco3)C[C@H]2C1 ZINC001235583440 806463004 /nfs/dbraw/zinc/46/30/04/806463004.db2.gz QPSLANORXCZDIG-SDDRHHMPSA-N 2 2 263.341 0.631 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1C[C@H]2CN(C(=O)c3ccco3)C[C@H]2C1 ZINC001235583440 806463008 /nfs/dbraw/zinc/46/30/08/806463008.db2.gz QPSLANORXCZDIG-SDDRHHMPSA-N 2 2 263.341 0.631 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1CC[C@@]2(C1)c1ccccc1N(C)C2=O ZINC001235633747 806477416 /nfs/dbraw/zinc/47/74/16/806477416.db2.gz YFCGNTIIWGIRJI-XHDPSFHLSA-N 2 2 259.353 0.954 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1CC[C@@]2(C1)c1ccccc1N(C)C2=O ZINC001235633747 806477420 /nfs/dbraw/zinc/47/74/20/806477420.db2.gz YFCGNTIIWGIRJI-XHDPSFHLSA-N 2 2 259.353 0.954 20 0 CCADLP C[C@H]([NH3+])C[NH+]1CCC2(CN(c3cccnc3)C2=O)CC1 ZINC001235653800 806482569 /nfs/dbraw/zinc/48/25/69/806482569.db2.gz TYDVMVSZAHSJGA-LBPRGKRZSA-N 2 2 274.368 0.858 20 0 CCADLP CC1(C)[NH2+][C@@H](CC[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)CO1 ZINC001235928567 806518393 /nfs/dbraw/zinc/51/83/93/806518393.db2.gz AMJDKDCMISKNKL-UPJWGTAASA-N 3 2 253.390 0.642 20 0 CCADLP CC1(C)[NH2+][C@@H](CC[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)CO1 ZINC001235928567 806518399 /nfs/dbraw/zinc/51/83/99/806518399.db2.gz AMJDKDCMISKNKL-UPJWGTAASA-N 3 2 253.390 0.642 20 0 CCADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1CN1CC[NH2+]C2(CC2)C1 ZINC001235932406 806519601 /nfs/dbraw/zinc/51/96/01/806519601.db2.gz JRVMFWLWLSUOPB-GHMZBOCLSA-N 2 2 259.344 0.915 20 0 CCADLP CC(C)OC(=O)C[N@@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001277987223 806596260 /nfs/dbraw/zinc/59/62/60/806596260.db2.gz OYFBEELEWQTGSI-UONOGXRCSA-N 2 2 283.416 0.506 20 0 CCADLP CC(C)OC(=O)C[N@H+]1CC[C@H]2CN(CC[NH+](C)C)C[C@H]21 ZINC001277987223 806596264 /nfs/dbraw/zinc/59/62/64/806596264.db2.gz OYFBEELEWQTGSI-UONOGXRCSA-N 2 2 283.416 0.506 20 0 CCADLP CCOC(=O)c1cc(C[N@H+]2CCc3[nH+]ccn3CC2)[nH]n1 ZINC001237033446 806631773 /nfs/dbraw/zinc/63/17/73/806631773.db2.gz ULPIUEXWKRLOPH-UHFFFAOYSA-N 2 2 289.339 0.841 20 0 CCADLP CCOC(=O)c1cc(C[N@@H+]2CCc3[nH+]ccn3CC2)[nH]n1 ZINC001237033446 806631777 /nfs/dbraw/zinc/63/17/77/806631777.db2.gz ULPIUEXWKRLOPH-UHFFFAOYSA-N 2 2 289.339 0.841 20 0 CCADLP COC(=O)[C@]1(C)CC[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001237057501 806634836 /nfs/dbraw/zinc/63/48/36/806634836.db2.gz NOAAWQOTKSLDAW-GXFFZTMASA-N 2 2 256.346 0.596 20 0 CCADLP COC(=O)[C@]1(C)CC[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001237057501 806634839 /nfs/dbraw/zinc/63/48/39/806634839.db2.gz NOAAWQOTKSLDAW-GXFFZTMASA-N 2 2 256.346 0.596 20 0 CCADLP C[NH+]1CCN(C2C[NH+](CC3OC=CC3=S)C2)CC1 ZINC001237186229 806645216 /nfs/dbraw/zinc/64/52/16/806645216.db2.gz LWUWNZZCBRAJKP-UHFFFAOYSA-N 2 2 267.398 1.000 20 0 CCADLP CC[C@@]1(C(=O)OC)C[C@H](N[C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246127734 807161513 /nfs/dbraw/zinc/16/15/13/807161513.db2.gz MYOWBMWGRAMDFJ-GVXVVHGQSA-N 2 2 255.362 0.012 20 0 CCADLP Cc1[nH+]c2ccc(F)cn2c1NS(=O)(=O)CC[NH3+] ZINC001237565941 806686175 /nfs/dbraw/zinc/68/61/75/806686175.db2.gz NOAYXCBOTKOECR-UHFFFAOYSA-N 2 2 272.305 0.482 20 0 CCADLP CCc1[nH]ncc1C[N@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001237657563 806706451 /nfs/dbraw/zinc/70/64/51/806706451.db2.gz GLCVGVXGNXLUHM-UHFFFAOYSA-N 2 2 293.415 0.568 20 0 CCADLP CCc1[nH]ncc1C[N@@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001237657563 806706456 /nfs/dbraw/zinc/70/64/56/806706456.db2.gz GLCVGVXGNXLUHM-UHFFFAOYSA-N 2 2 293.415 0.568 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@]1(C)CCC[NH2+]1 ZINC001122175253 799162516 /nfs/dbraw/zinc/16/25/16/799162516.db2.gz YEZXRXGWLBKSDG-JSGCOSHPSA-N 2 2 269.389 0.356 20 0 CCADLP CC[C@H]1CC[C@H](C(=O)NCC[NH+]2CCC([NH3+])CC2)O1 ZINC001122238920 799177135 /nfs/dbraw/zinc/17/71/35/799177135.db2.gz KHPIXMBLRWVOKZ-QWHCGFSZSA-N 2 2 269.389 0.483 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC001122238822 799177280 /nfs/dbraw/zinc/17/72/80/799177280.db2.gz IVDOKESCPQYJOV-QWHCGFSZSA-N 3 2 268.405 0.043 20 0 CCADLP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH3+])C1)[N@@H+]1CCO[C@H](CC)C1 ZINC001122581626 799268954 /nfs/dbraw/zinc/26/89/54/799268954.db2.gz XPXHPAXFPCFAMI-YVECIDJPSA-N 2 2 269.389 0.482 20 0 CCADLP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH3+])C1)[N@H+]1CCO[C@H](CC)C1 ZINC001122581626 799268959 /nfs/dbraw/zinc/26/89/59/799268959.db2.gz XPXHPAXFPCFAMI-YVECIDJPSA-N 2 2 269.389 0.482 20 0 CCADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@@H](O)CO ZINC001139358537 799806258 /nfs/dbraw/zinc/80/62/58/799806258.db2.gz PJHJKTMQBOOKDL-CQSZACIVSA-N 2 2 261.325 0.657 20 0 CCADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@@H](O)CO ZINC001139358537 799806263 /nfs/dbraw/zinc/80/62/63/799806263.db2.gz PJHJKTMQBOOKDL-CQSZACIVSA-N 2 2 261.325 0.657 20 0 CCADLP Nc1cc(CNS(=O)(=O)CC2CC[NH2+]CC2)cc[nH+]1 ZINC001238397140 806781906 /nfs/dbraw/zinc/78/19/06/806781906.db2.gz XZGYWZCHVLCNEO-UHFFFAOYSA-N 2 2 284.385 0.083 20 0 CCADLP CSc1nccc(C[N@H+](C)CCN2CC[NH+](C)CC2)n1 ZINC001140035601 799872527 /nfs/dbraw/zinc/87/25/27/799872527.db2.gz OIYSDIMAJPNSTD-UHFFFAOYSA-N 2 2 295.456 0.878 20 0 CCADLP CO[C@H](C)C[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001203052604 799925788 /nfs/dbraw/zinc/92/57/88/799925788.db2.gz PSVUOIHWBSCCKY-LLVKDONJSA-N 2 2 280.372 0.568 20 0 CCADLP Nc1ccc(CNS(=O)(=O)CC2CC[NH2+]CC2)c[nH+]1 ZINC001238677603 806797567 /nfs/dbraw/zinc/79/75/67/806797567.db2.gz LXAGHMXIULVZTH-UHFFFAOYSA-N 2 2 284.385 0.083 20 0 CCADLP C[C@H]1CC[C@@H]([NH2+]CCNC(=O)c2ccncc2)C[NH2+]1 ZINC001246169556 807173197 /nfs/dbraw/zinc/17/31/97/807173197.db2.gz JIHUIYRDNVAXIQ-WCQYABFASA-N 2 2 262.357 0.542 20 0 CCADLP O=C1NC[C@@H]2CC[N@H+](Cc3ccc4[nH+]ccn4c3)C[C@H]12 ZINC001143026990 800186358 /nfs/dbraw/zinc/18/63/58/800186358.db2.gz IKVWSVKQEVIXSD-STQMWFEESA-N 2 2 270.336 0.902 20 0 CCADLP O=C1NC[C@@H]2CC[N@@H+](Cc3ccc4[nH+]ccn4c3)C[C@H]12 ZINC001143026990 800186359 /nfs/dbraw/zinc/18/63/59/800186359.db2.gz IKVWSVKQEVIXSD-STQMWFEESA-N 2 2 270.336 0.902 20 0 CCADLP CC[C@@H](C)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001151814115 800461701 /nfs/dbraw/zinc/46/17/01/800461701.db2.gz DCHIKZPXMUFALM-HIFRSBDPSA-N 2 2 297.443 0.849 20 0 CCADLP O=C(C[N@H+]1CCc2sccc2C1)NCC[NH2+]CCF ZINC001152202232 800500479 /nfs/dbraw/zinc/50/04/79/800500479.db2.gz JTLZWZRFFQMMRH-UHFFFAOYSA-N 2 2 285.388 0.782 20 0 CCADLP C[C@H](C[NH+]1CCCC1)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246174667 807174947 /nfs/dbraw/zinc/17/49/47/807174947.db2.gz CMGOHFUEPDILSQ-OLZOCXBDSA-N 3 2 252.406 0.154 20 0 CCADLP O=C(CC[NH+]1CCCCC1)NCC[NH2+]Cc1nncs1 ZINC001152348594 800512500 /nfs/dbraw/zinc/51/25/00/800512500.db2.gz QJZYSCSGXKVKKE-UHFFFAOYSA-N 2 2 297.428 0.620 20 0 CCADLP CCC[NH2+]CCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001152618405 800542726 /nfs/dbraw/zinc/54/27/26/800542726.db2.gz MVKMERYZIVDSOJ-CYBMUJFWSA-N 2 2 264.373 0.800 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NCC[NH2+]CC[C@H]1CCCO1 ZINC001153345386 800624190 /nfs/dbraw/zinc/62/41/90/800624190.db2.gz TVHMRMITUSKTEY-CQSZACIVSA-N 2 2 294.399 0.938 20 0 CCADLP CCOCCC[NH2+]CCNC(=O)CCCn1cc[nH+]c1 ZINC001153351541 800624731 /nfs/dbraw/zinc/62/47/31/800624731.db2.gz WHHZWKWXGPMSSI-UHFFFAOYSA-N 2 2 282.388 0.796 20 0 CCADLP CCn1cc(CC[NH2+]CCNC(=O)Cn2cc[nH+]c2)cn1 ZINC001153495844 800635068 /nfs/dbraw/zinc/63/50/68/800635068.db2.gz PVHBHFJBBZSENV-UHFFFAOYSA-N 2 2 290.371 0.048 20 0 CCADLP CO[C@H](C[NH2+]CCNC(=O)Cn1cc[nH+]c1)C1CCC1 ZINC001153495850 800635699 /nfs/dbraw/zinc/63/56/99/800635699.db2.gz PZYFAMXWNLLOGF-CYBMUJFWSA-N 2 2 280.372 0.404 20 0 CCADLP COCCCCC[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153499932 800637107 /nfs/dbraw/zinc/63/71/07/800637107.db2.gz AJIVEDPCQSFURH-UHFFFAOYSA-N 2 2 268.361 0.406 20 0 CCADLP CC[N@H+](CCO)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001153894856 800687693 /nfs/dbraw/zinc/68/76/93/800687693.db2.gz GVAGQJZUWOLYPT-IJLUTSLNSA-N 2 2 280.372 0.332 20 0 CCADLP CC[N@@H+](CCO)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001153894856 800687697 /nfs/dbraw/zinc/68/76/97/800687697.db2.gz GVAGQJZUWOLYPT-IJLUTSLNSA-N 2 2 280.372 0.332 20 0 CCADLP CC[N@H+](CCO)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001153894856 800687702 /nfs/dbraw/zinc/68/77/02/800687702.db2.gz GVAGQJZUWOLYPT-IJLUTSLNSA-N 2 2 280.372 0.332 20 0 CCADLP CC[N@@H+](CCO)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001153894856 800687707 /nfs/dbraw/zinc/68/77/07/800687707.db2.gz GVAGQJZUWOLYPT-IJLUTSLNSA-N 2 2 280.372 0.332 20 0 CCADLP O=C(NC1CCCCC1)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001239286841 806880104 /nfs/dbraw/zinc/88/01/04/806880104.db2.gz PURKUXZJCZNSPA-UHFFFAOYSA-N 2 2 297.447 0.113 20 0 CCADLP Cc1nc([C@H](C)[NH2+]CCCNC(=O)[C@H]2CCC[N@@H+]2C)no1 ZINC001155811016 801054684 /nfs/dbraw/zinc/05/46/84/801054684.db2.gz GHIYSOZVKZENKM-CMPLNLGQSA-N 2 2 295.387 0.629 20 0 CCADLP Cc1nc([C@H](C)[NH2+]CCCNC(=O)[C@H]2CCC[N@H+]2C)no1 ZINC001155811016 801054691 /nfs/dbraw/zinc/05/46/91/801054691.db2.gz GHIYSOZVKZENKM-CMPLNLGQSA-N 2 2 295.387 0.629 20 0 CCADLP CC[N@H+](C[C@@H](C)O)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001156677407 801209755 /nfs/dbraw/zinc/20/97/55/801209755.db2.gz RUNGTXXHWKUODM-CHWSQXEVSA-N 2 2 296.415 0.560 20 0 CCADLP CC[N@@H+](C[C@@H](C)O)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001156677407 801209758 /nfs/dbraw/zinc/20/97/58/801209758.db2.gz RUNGTXXHWKUODM-CHWSQXEVSA-N 2 2 296.415 0.560 20 0 CCADLP COC[C@H](C)[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157264771 801335899 /nfs/dbraw/zinc/33/58/99/801335899.db2.gz JTRWEJXQMTZKNI-NSHDSACASA-N 2 2 268.361 0.473 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)[C@@H](c2ccccc2)C1 ZINC001157495910 801401546 /nfs/dbraw/zinc/40/15/46/801401546.db2.gz NXIYYHUGJHDJRO-RBSFLKMASA-N 2 2 289.379 0.225 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)[C@@H](c2ccccc2)C1 ZINC001157495910 801401549 /nfs/dbraw/zinc/40/15/49/801401549.db2.gz NXIYYHUGJHDJRO-RBSFLKMASA-N 2 2 289.379 0.225 20 0 CCADLP C[C@H]1C[C@@H](CF)N(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001157878198 801509567 /nfs/dbraw/zinc/50/95/67/801509567.db2.gz VZTYETOEIUMHCM-ONYIWYLUSA-N 2 2 255.337 0.415 20 0 CCADLP C[C@H]1C(=O)Nc2ncnc(NC(=[NH2+])N3CC[NH+](C)CC3)c21 ZINC001157915248 801520976 /nfs/dbraw/zinc/52/09/76/801520976.db2.gz NDFUUSHZCNGBKA-MRVPVSSYSA-N 2 2 289.343 0.126 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[C@@](C)(F)[C@H](F)C1 ZINC001157922522 801522351 /nfs/dbraw/zinc/52/23/51/801522351.db2.gz QCQXLJJWFJEPHD-DMDPSCGWSA-N 2 2 286.326 0.589 20 0 CCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@](C)([NH3+])CC(C)C ZINC001157998993 801550843 /nfs/dbraw/zinc/55/08/43/801550843.db2.gz LTGFKMIQKWUGQS-SMDDNHRTSA-N 2 2 285.388 0.113 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(C[C@@H]2CCO)CC1 ZINC001158111136 801572561 /nfs/dbraw/zinc/57/25/61/801572561.db2.gz KNWDWXBZHZECGH-AAEUAGOBSA-N 2 2 292.383 0.291 20 0 CCADLP C[C@@]1(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]32)CC(F)(F)C[NH2+]1 ZINC001158199264 801590584 /nfs/dbraw/zinc/59/05/84/801590584.db2.gz ROBQCLZRDIKZFH-NGZCFLSTSA-N 2 2 259.300 0.337 20 0 CCADLP CCCc1cncnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158204192 801593021 /nfs/dbraw/zinc/59/30/21/801593021.db2.gz MHPRQFLMEOYUCF-LLVKDONJSA-N 2 2 261.329 0.477 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncc2ncsc2n1 ZINC001158206545 801593917 /nfs/dbraw/zinc/59/39/17/801593917.db2.gz UTIASWUTSVYANA-SSDOTTSWSA-N 2 2 276.325 0.134 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3ncnc4c3CCC4)CC2)C1 ZINC001158259105 801608273 /nfs/dbraw/zinc/60/82/73/801608273.db2.gz NUZGSQIUNLWPGS-GFCCVEGCSA-N 2 2 287.411 0.967 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](C2CCN(c3ncnc4c3CCC4)CC2)C1 ZINC001158259105 801608278 /nfs/dbraw/zinc/60/82/78/801608278.db2.gz NUZGSQIUNLWPGS-GFCCVEGCSA-N 2 2 287.411 0.967 20 0 CCADLP CC[C@H](C)[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)C(N)=O ZINC001158276320 801612063 /nfs/dbraw/zinc/61/20/63/801612063.db2.gz GYSCYPIYMGNONW-FZMZJTMJSA-N 2 2 291.399 0.803 20 0 CCADLP C[C@]1(C(=O)N2CCC[C@H]3[NH2+]C[C@H]32)CC(F)(F)C[NH2+]1 ZINC001158423810 801644004 /nfs/dbraw/zinc/64/40/04/801644004.db2.gz PKMCQOIDMONZCO-FXPVBKGRSA-N 2 2 259.300 0.337 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)NCCC[NH2+]CCCO ZINC001158486314 801657034 /nfs/dbraw/zinc/65/70/34/801657034.db2.gz JRSPQQYLYAXWLH-UHFFFAOYSA-N 2 2 294.399 0.240 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@]2(C)CCC[NH2+]C2)CN1 ZINC001246186799 807180098 /nfs/dbraw/zinc/18/00/98/807180098.db2.gz DOHULPTVLNIHGD-DYEKYZERSA-N 2 2 269.389 0.402 20 0 CCADLP CCOC(=O)Cc1ccc[nH+]c1N[C@@H](C)[C@@H]1C[NH2+]CCO1 ZINC001159495325 801820903 /nfs/dbraw/zinc/82/09/03/801820903.db2.gz DPJPQYSVVSOBOK-AAEUAGOBSA-N 2 2 293.367 0.976 20 0 CCADLP CCOC(=O)Cc1cc[nH+]c(N[C@@H](C)[C@H]2C[NH2+]CCO2)c1 ZINC001159500492 801824955 /nfs/dbraw/zinc/82/49/55/801824955.db2.gz DCJSDJAVQCTYFW-WCQYABFASA-N 2 2 293.367 0.976 20 0 CCADLP OC[C@H]1C[NH2+]C[C@@H]1Nc1cc(N2CCCCC2)[nH+]cn1 ZINC001159682195 801850853 /nfs/dbraw/zinc/85/08/53/801850853.db2.gz RCKFPYOBGCOVOZ-NEPJUHHUSA-N 2 2 277.372 0.459 20 0 CCADLP CC[C@]([NH3+])(CO)Nc1cc[nH+]c(N2CCCCC2)n1 ZINC001159743848 801860233 /nfs/dbraw/zinc/86/02/33/801860233.db2.gz MGZMNABJGRQZHJ-CYBMUJFWSA-N 2 2 265.361 0.936 20 0 CCADLP CC[NH+](CC)C[C@H]1CN(Cc2c[nH+]cn2C)CCO1 ZINC001204389019 801887051 /nfs/dbraw/zinc/88/70/51/801887051.db2.gz KZZFQWIAIGEYOX-AWEZNQCLSA-N 2 2 266.389 0.963 20 0 CCADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001160583118 801975996 /nfs/dbraw/zinc/97/59/96/801975996.db2.gz VAPKXHOYGBALPY-NSHDSACASA-N 2 2 283.372 0.012 20 0 CCADLP C[C@@H]1C[C@H](O)CCN1C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001160655154 801991840 /nfs/dbraw/zinc/99/18/40/801991840.db2.gz HUXNJCRYTJMSLA-LERXQTSPSA-N 2 2 277.368 0.631 20 0 CCADLP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001160688674 802002024 /nfs/dbraw/zinc/00/20/24/802002024.db2.gz FEHJNGDGPFTMCJ-MNOVXSKESA-N 3 2 265.361 0.182 20 0 CCADLP C[S@](=O)CC[C@H]([NH3+])C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001160727066 802011552 /nfs/dbraw/zinc/01/15/52/802011552.db2.gz YPDKKIOCZXUTJL-YUNKPMOVSA-N 2 2 298.412 0.143 20 0 CCADLP N[C@@]1(C(=O)N2CCC(n3cc[nH+]c3)CC2)CCC[NH2+]C1 ZINC001160727084 802011988 /nfs/dbraw/zinc/01/19/88/802011988.db2.gz YXJRJCSWCNHQAO-AWEZNQCLSA-N 2 2 277.372 0.128 20 0 CCADLP O=C([C@H]1CC[NH2+]C[C@@H]1F)N1CCC(n2cc[nH+]c2)CC1 ZINC001160727072 802012033 /nfs/dbraw/zinc/01/20/33/802012033.db2.gz YRPWOZDHZNGNTF-STQMWFEESA-N 2 2 280.347 0.994 20 0 CCADLP CCc1noc([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C2)n1 ZINC001160741054 802013469 /nfs/dbraw/zinc/01/34/69/802013469.db2.gz FFBWVYFDMBYHGM-MXWKQRLJSA-N 2 2 293.371 0.027 20 0 CCADLP CC1(C)CN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CC(C)(C)O1 ZINC001160967864 802055165 /nfs/dbraw/zinc/05/51/65/802055165.db2.gz PXECDLZIIHMVDW-IAQYHMDHSA-N 2 2 281.400 0.354 20 0 CCADLP CC1(C)CN(C(=O)C2([NH3+])CC[NH2+]CC2)CC(C)(C)O1 ZINC001160966855 802055256 /nfs/dbraw/zinc/05/52/56/802055256.db2.gz DOIYIUWCWZQWBV-UHFFFAOYSA-N 2 2 269.389 0.483 20 0 CCADLP Nc1ccc2c(c1)CN(C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)CC2 ZINC001161075865 802082691 /nfs/dbraw/zinc/08/26/91/802082691.db2.gz SDXFPCLCHJMADY-AWEZNQCLSA-N 2 2 285.351 0.447 20 0 CCADLP CC[NH2+]CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001161214738 802109494 /nfs/dbraw/zinc/10/94/94/802109494.db2.gz FJKYQRYSNXOZHR-NSHDSACASA-N 2 2 250.346 0.561 20 0 CCADLP c1ccc(N2CC(Nc3ncc4c(n3)C[NH2+]C4)C2)[nH+]c1 ZINC001161320518 802125805 /nfs/dbraw/zinc/12/58/05/802125805.db2.gz JOZLGFLYGSZERH-UHFFFAOYSA-N 2 2 268.324 0.776 20 0 CCADLP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001161423718 802152869 /nfs/dbraw/zinc/15/28/69/802152869.db2.gz KWZNDRQPDSZLKZ-MNOVXSKESA-N 2 2 255.362 0.045 20 0 CCADLP CC(C)(C)OC[C@H]([NH3+])C(=O)N1CC[N@H+]2CC[C@@H]2C1 ZINC001161423718 802152874 /nfs/dbraw/zinc/15/28/74/802152874.db2.gz KWZNDRQPDSZLKZ-MNOVXSKESA-N 2 2 255.362 0.045 20 0 CCADLP COC(=O)c1c[nH+]ccc1NCCCn1cc[nH+]c1 ZINC001161688330 802199000 /nfs/dbraw/zinc/19/90/00/802199000.db2.gz PDHBDBIJIWDKQD-UHFFFAOYSA-N 2 2 260.297 0.989 20 0 CCADLP C[C@H]1C(=O)Nc2ncnc(NCC[NH+]3CCC([NH3+])CC3)c21 ZINC001161867348 802234888 /nfs/dbraw/zinc/23/48/88/802234888.db2.gz FUJTZLUNVYYEIN-SECBINFHSA-N 2 2 290.371 0.367 20 0 CCADLP Cn1ccnc1CNc1[nH+]cccc1N1CC[NH2+]CC1 ZINC001161910280 802244383 /nfs/dbraw/zinc/24/43/83/802244383.db2.gz RZOFVYNTSHSQSO-UHFFFAOYSA-N 2 2 272.356 0.837 20 0 CCADLP CCOC(=O)[C@H]([NH3+])CNc1[nH+]ccc2c1ccn2C ZINC001161945212 802252939 /nfs/dbraw/zinc/25/29/39/802252939.db2.gz GJEVZSXWPFVVPS-SNVBAGLBSA-N 2 2 262.313 0.876 20 0 CCADLP CCOC(=O)[C@H]([NH3+])CNc1cc(-n2ccnc2)cc[nH+]1 ZINC001161949740 802255987 /nfs/dbraw/zinc/25/59/87/802255987.db2.gz HTLZNZFHWCGVDG-LLVKDONJSA-N 2 2 275.312 0.570 20 0 CCADLP Cc1noc(C[NH2+]CCCNC(=O)Cn2c[nH+]cc2C)n1 ZINC001162627963 802379538 /nfs/dbraw/zinc/37/95/38/802379538.db2.gz OXZKXGQHJDVZPQ-UHFFFAOYSA-N 2 2 292.343 0.179 20 0 CCADLP Cc1nc(-n2cncn2)cc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)[nH+]1 ZINC001162800495 802421790 /nfs/dbraw/zinc/42/17/90/802421790.db2.gz BFUCIQBXWMUWNF-IJLUTSLNSA-N 2 2 283.339 0.552 20 0 CCADLP CCN(C)c1cc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)nc[nH+]1 ZINC001163337117 802537021 /nfs/dbraw/zinc/53/70/21/802537021.db2.gz WUYNOJNKPCGPHM-NRUUGDAUSA-N 2 2 263.345 0.474 20 0 CCADLP COCC1CN(c2cccc(N3CC[NH+](C)CC3)[nH+]2)C1 ZINC001163732791 802600851 /nfs/dbraw/zinc/60/08/51/802600851.db2.gz SRQKTNNCUSASTN-UHFFFAOYSA-N 2 2 276.384 0.916 20 0 CCADLP Cc1cc(C[NH3+])nn1-c1cc(-n2cc[nH+]c2C)ncn1 ZINC001163980317 802643597 /nfs/dbraw/zinc/64/35/97/802643597.db2.gz SJYVTLNIEUZECQ-UHFFFAOYSA-N 2 2 269.312 0.924 20 0 CCADLP CO[C@H](C)C[N@H+]1CC=C(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001279660657 809991865 /nfs/dbraw/zinc/99/18/65/809991865.db2.gz GNVPIGAULNWNNK-GFCCVEGCSA-N 2 2 292.383 0.735 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC=C(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001279660657 809991868 /nfs/dbraw/zinc/99/18/68/809991868.db2.gz GNVPIGAULNWNNK-GFCCVEGCSA-N 2 2 292.383 0.735 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Nc2[nH+]ccc3c2CCN3)C[NH2+]1 ZINC001164301864 802713696 /nfs/dbraw/zinc/71/36/96/802713696.db2.gz JRHYQOJJOKZYSZ-KWQFWETISA-N 2 2 262.313 0.365 20 0 CCADLP FC1(F)C[NH2+]CCN(c2nccc(C3CC[NH2+]CC3)n2)C1 ZINC001164497353 802749262 /nfs/dbraw/zinc/74/92/62/802749262.db2.gz GEUSZIWUWFZHHS-UHFFFAOYSA-N 2 2 297.353 0.989 20 0 CCADLP c1nc(N2CC[C@@H]3[NH2+]CC[C@H]32)cc(N2CCSCC2)[nH+]1 ZINC001165298651 802818568 /nfs/dbraw/zinc/81/85/68/802818568.db2.gz VJPFDFQOTNJILZ-NWDGAFQWSA-N 2 2 291.424 0.970 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCCC1(C[NH2+]CCO)CC1 ZINC001166335539 802900288 /nfs/dbraw/zinc/90/02/88/802900288.db2.gz RDLYKEICSGCWAU-UHFFFAOYSA-N 2 2 294.399 0.221 20 0 CCADLP O=C(NCCC[NH2+]CCF)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001166407968 802906476 /nfs/dbraw/zinc/90/64/76/802906476.db2.gz FBOPNTMLVACNHO-SNVBAGLBSA-N 2 2 268.336 0.895 20 0 CCADLP CCCc1cc(N2CC[NH2+][C@H](C(N)=O)C2)nc(C)[nH+]1 ZINC001166726021 802950895 /nfs/dbraw/zinc/95/08/95/802950895.db2.gz USZRXHAHQBRXMA-NSHDSACASA-N 2 2 263.345 0.001 20 0 CCADLP Cc1c[nH+]c(N2CCO[C@@H](C[NH3+])C2)nc1NC1CC1 ZINC001166937486 802985075 /nfs/dbraw/zinc/98/50/75/802985075.db2.gz AEZPZSUZJDKJDB-NSHDSACASA-N 2 2 263.345 0.523 20 0 CCADLP CCOC(=O)Cc1cc[nH+]c(N2CCO[C@@H](C[NH3+])C2)c1 ZINC001166939515 802985622 /nfs/dbraw/zinc/98/56/22/802985622.db2.gz AXCBXPUFKQNUEN-LBPRGKRZSA-N 2 2 279.340 0.351 20 0 CCADLP CN(CCC[NH2+]Cc1nncs1)C(=O)Cn1cc[nH+]c1 ZINC001276411251 803027583 /nfs/dbraw/zinc/02/75/83/803027583.db2.gz PEHVNKQSMLQLNO-UHFFFAOYSA-N 2 2 294.384 0.373 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1C[C@@H]([NH2+]CCCO)C12CCC2 ZINC001203444290 803028045 /nfs/dbraw/zinc/02/80/45/803028045.db2.gz RKZKJEACDAYRAQ-CHWSQXEVSA-N 2 2 292.383 0.352 20 0 CCADLP C[C@]1([NH3+])CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001204772795 803100190 /nfs/dbraw/zinc/10/01/90/803100190.db2.gz YJKFTHGBGGTOSH-ZDUSSCGKSA-N 2 2 258.329 0.790 20 0 CCADLP C[C@]1([NH3+])CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001204772795 803100192 /nfs/dbraw/zinc/10/01/92/803100192.db2.gz YJKFTHGBGGTOSH-ZDUSSCGKSA-N 2 2 258.329 0.790 20 0 CCADLP C[C@@]1([NH3+])CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001204772792 803100262 /nfs/dbraw/zinc/10/02/62/803100262.db2.gz YJKFTHGBGGTOSH-CYBMUJFWSA-N 2 2 258.329 0.790 20 0 CCADLP C[C@@]1([NH3+])CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001204772792 803100265 /nfs/dbraw/zinc/10/02/65/803100265.db2.gz YJKFTHGBGGTOSH-CYBMUJFWSA-N 2 2 258.329 0.790 20 0 CCADLP Cc1cncc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)n1 ZINC001205665518 803152459 /nfs/dbraw/zinc/15/24/59/803152459.db2.gz SJJZSYCIWNUQNR-ZDUSSCGKSA-N 2 2 250.346 0.461 20 0 CCADLP Cc1cncc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)n1 ZINC001205665518 803152461 /nfs/dbraw/zinc/15/24/61/803152461.db2.gz SJJZSYCIWNUQNR-ZDUSSCGKSA-N 2 2 250.346 0.461 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2ccc(F)nc2)C1 ZINC001205674051 803154894 /nfs/dbraw/zinc/15/48/94/803154894.db2.gz YGZJHLYBTQZBJT-ZDUSSCGKSA-N 2 2 253.321 0.896 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccc(F)nc2)C1 ZINC001205674051 803154895 /nfs/dbraw/zinc/15/48/95/803154895.db2.gz YGZJHLYBTQZBJT-ZDUSSCGKSA-N 2 2 253.321 0.896 20 0 CCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205818573 803176352 /nfs/dbraw/zinc/17/63/52/803176352.db2.gz URPSZVHXIIZOHW-PSASIEDQSA-N 2 2 266.345 0.755 20 0 CCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1C[C@H](C)CC[C@@H]1C[NH3+] ZINC001205818573 803176354 /nfs/dbraw/zinc/17/63/54/803176354.db2.gz URPSZVHXIIZOHW-PSASIEDQSA-N 2 2 266.345 0.755 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](C[C@H]2COC3(CCCCC3)O2)C[C@H]1O ZINC001205945779 803189362 /nfs/dbraw/zinc/18/93/62/803189362.db2.gz FQHZEGFADVRIJW-YNEHKIRRSA-N 2 2 270.373 0.456 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](C[C@H]2COC3(CCCCC3)O2)C[C@H]1O ZINC001205945779 803189365 /nfs/dbraw/zinc/18/93/65/803189365.db2.gz FQHZEGFADVRIJW-YNEHKIRRSA-N 2 2 270.373 0.456 20 0 CCADLP COC(=O)c1cc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc(OC)c1 ZINC001206481701 803251168 /nfs/dbraw/zinc/25/11/68/803251168.db2.gz ZAJVBZHKCZTROO-GXTWGEPZSA-N 2 2 294.351 0.233 20 0 CCADLP COC(=O)c1cc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc(OC)c1 ZINC001206481701 803251174 /nfs/dbraw/zinc/25/11/74/803251174.db2.gz ZAJVBZHKCZTROO-GXTWGEPZSA-N 2 2 294.351 0.233 20 0 CCADLP COc1ccc(OC)c(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206512638 803255884 /nfs/dbraw/zinc/25/58/84/803255884.db2.gz SAXRDHBZYMBSLQ-AAEUAGOBSA-N 2 2 266.341 0.455 20 0 CCADLP COc1ccc(OC)c(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206512638 803255887 /nfs/dbraw/zinc/25/58/87/803255887.db2.gz SAXRDHBZYMBSLQ-AAEUAGOBSA-N 2 2 266.341 0.455 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(OC(F)F)nc2)C[C@@H]1O ZINC001206530626 803261840 /nfs/dbraw/zinc/26/18/40/803261840.db2.gz NDKPLXIECQMXBO-UWVGGRQHSA-N 2 2 273.283 0.434 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(OC(F)F)nc2)C[C@@H]1O ZINC001206530626 803261842 /nfs/dbraw/zinc/26/18/42/803261842.db2.gz NDKPLXIECQMXBO-UWVGGRQHSA-N 2 2 273.283 0.434 20 0 CCADLP [NH3+][C@@H]1CN(Cc2cnc3n2CC[NH2+]C3)CCC1(F)F ZINC001206704672 803279786 /nfs/dbraw/zinc/27/97/86/803279786.db2.gz TVYKBFCBUWUMSU-SNVBAGLBSA-N 2 2 271.315 0.155 20 0 CCADLP OCC1C[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC001206716933 803282465 /nfs/dbraw/zinc/28/24/65/803282465.db2.gz LNCLPZNXKSDWIC-UHFFFAOYSA-N 2 2 276.380 0.943 20 0 CCADLP CC1(C[NH3+])C[NH+](Cc2ccc(NS(C)(=O)=O)cc2)C1 ZINC001206730156 803282881 /nfs/dbraw/zinc/28/28/81/803282881.db2.gz PQKORLHMEOAQQV-UHFFFAOYSA-N 2 2 283.397 0.839 20 0 CCADLP Cc1noc(C)c1C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001207139868 803359277 /nfs/dbraw/zinc/35/92/77/803359277.db2.gz JTWBTWIVHQXGCQ-CYBMUJFWSA-N 2 2 294.399 0.934 20 0 CCADLP Cc1noc(C)c1C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001207139868 803359281 /nfs/dbraw/zinc/35/92/81/803359281.db2.gz JTWBTWIVHQXGCQ-CYBMUJFWSA-N 2 2 294.399 0.934 20 0 CCADLP C[N@@H+]1C[C@@H]2C[C@H]1CN2CC(C)(C)[NH+]1CCOCC1 ZINC001207304280 803382869 /nfs/dbraw/zinc/38/28/69/803382869.db2.gz PMJVGRQTPJDXCW-STQMWFEESA-N 2 2 253.390 0.486 20 0 CCADLP C[N@H+]1C[C@@H]2C[C@H]1CN2CC(C)(C)[NH+]1CCOCC1 ZINC001207304280 803382874 /nfs/dbraw/zinc/38/28/74/803382874.db2.gz PMJVGRQTPJDXCW-STQMWFEESA-N 2 2 253.390 0.486 20 0 CCADLP COC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001207437564 803399148 /nfs/dbraw/zinc/39/91/48/803399148.db2.gz BQYSYMTYHBYHBM-YRGRVCCFSA-N 2 2 294.399 0.814 20 0 CCADLP COC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001207437564 803399149 /nfs/dbraw/zinc/39/91/49/803399149.db2.gz BQYSYMTYHBYHBM-YRGRVCCFSA-N 2 2 294.399 0.814 20 0 CCADLP COC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001207437564 803399159 /nfs/dbraw/zinc/39/91/59/803399159.db2.gz BQYSYMTYHBYHBM-YRGRVCCFSA-N 2 2 294.399 0.814 20 0 CCADLP COC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001207437564 803399163 /nfs/dbraw/zinc/39/91/63/803399163.db2.gz BQYSYMTYHBYHBM-YRGRVCCFSA-N 2 2 294.399 0.814 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001207453787 803404203 /nfs/dbraw/zinc/40/42/03/803404203.db2.gz MHWWCQVJYVGHKV-NTZNESFSSA-N 2 2 280.372 0.160 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001207453787 803404207 /nfs/dbraw/zinc/40/42/07/803404207.db2.gz MHWWCQVJYVGHKV-NTZNESFSSA-N 2 2 280.372 0.160 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001207453787 803404213 /nfs/dbraw/zinc/40/42/13/803404213.db2.gz MHWWCQVJYVGHKV-NTZNESFSSA-N 2 2 280.372 0.160 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001207453787 803404218 /nfs/dbraw/zinc/40/42/18/803404218.db2.gz MHWWCQVJYVGHKV-NTZNESFSSA-N 2 2 280.372 0.160 20 0 CCADLP C(C[NH+]1CCOCC1)N1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001207469622 803407868 /nfs/dbraw/zinc/40/78/68/803407868.db2.gz VRHOYRDFXXYONU-INIZCTEOSA-N 2 2 297.443 0.363 20 0 CCADLP C[N@@H+]1CCN(C(=O)C2([NH3+])CC2)[C@H](c2ccccc2)C1 ZINC000088129619 803448483 /nfs/dbraw/zinc/44/84/83/803448483.db2.gz PXMXMLDHXSWLTB-ZDUSSCGKSA-N 2 2 259.353 0.993 20 0 CCADLP C[N@H+]1CCN(C(=O)C2([NH3+])CC2)[C@H](c2ccccc2)C1 ZINC000088129619 803448487 /nfs/dbraw/zinc/44/84/87/803448487.db2.gz PXMXMLDHXSWLTB-ZDUSSCGKSA-N 2 2 259.353 0.993 20 0 CCADLP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3ccns3)C[C@H]21 ZINC001276591861 803550500 /nfs/dbraw/zinc/55/05/00/803550500.db2.gz RSNVFVUAZYAJJM-KGLIPLIRSA-N 2 2 296.440 0.590 20 0 CCADLP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3ccns3)C[C@H]21 ZINC001276591861 803550503 /nfs/dbraw/zinc/55/05/03/803550503.db2.gz RSNVFVUAZYAJJM-KGLIPLIRSA-N 2 2 296.440 0.590 20 0 CCADLP CN(C)C1=[NH+]OC2(C1)CC[NH+](CCN1CCOCC1)CC2 ZINC001209290248 803588681 /nfs/dbraw/zinc/58/86/81/803588681.db2.gz PNCSYZHGBDEVBF-UHFFFAOYSA-N 2 2 296.415 0.449 20 0 CCADLP C[C@]1(O)COCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC001209449855 803604204 /nfs/dbraw/zinc/60/42/04/803604204.db2.gz MCOJPJHUCDAHNY-CQSZACIVSA-N 2 2 256.390 0.946 20 0 CCADLP C[C@]1(O)COCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001209449855 803604206 /nfs/dbraw/zinc/60/42/06/803604206.db2.gz MCOJPJHUCDAHNY-CQSZACIVSA-N 2 2 256.390 0.946 20 0 CCADLP Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)[nH]1 ZINC001209576550 803615217 /nfs/dbraw/zinc/61/52/17/803615217.db2.gz XWMQCRWMBMVPKO-CYBMUJFWSA-N 2 2 278.400 0.965 20 0 CCADLP Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)[nH]1 ZINC001209576550 803615221 /nfs/dbraw/zinc/61/52/21/803615221.db2.gz XWMQCRWMBMVPKO-CYBMUJFWSA-N 2 2 278.400 0.965 20 0 CCADLP COCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001211433595 803682120 /nfs/dbraw/zinc/68/21/20/803682120.db2.gz NIOHPSMLXPPOJP-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP COCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001211433595 803682124 /nfs/dbraw/zinc/68/21/24/803682124.db2.gz NIOHPSMLXPPOJP-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP CO[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342227 803689930 /nfs/dbraw/zinc/68/99/30/803689930.db2.gz MUUCFIBKBBEXEJ-VXGBXAGGSA-N 2 2 287.379 0.113 20 0 CCADLP CO[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001213342227 803689931 /nfs/dbraw/zinc/68/99/31/803689931.db2.gz MUUCFIBKBBEXEJ-VXGBXAGGSA-N 2 2 287.379 0.113 20 0 CCADLP COCCC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001214529127 803748241 /nfs/dbraw/zinc/74/82/41/803748241.db2.gz NDCFOGVHVINCLE-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP CCOCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001214814119 803760086 /nfs/dbraw/zinc/76/00/86/803760086.db2.gz GVNMHUFPSXGCNU-TZMCWYRMSA-N 2 2 294.399 0.815 20 0 CCADLP CCOCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001214814119 803760089 /nfs/dbraw/zinc/76/00/89/803760089.db2.gz GVNMHUFPSXGCNU-TZMCWYRMSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1[NH2+]Cc1cnsn1 ZINC001215456503 803810697 /nfs/dbraw/zinc/81/06/97/803810697.db2.gz YNGVJHWOIUTOGM-ZYHUDNBSSA-N 2 2 297.428 0.426 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]CCCO ZINC001216630406 803848923 /nfs/dbraw/zinc/84/89/23/803848923.db2.gz CZFRLKMUIVYMKU-TZMCWYRMSA-N 2 2 294.399 0.172 20 0 CCADLP CCOCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001276748351 803859317 /nfs/dbraw/zinc/85/93/17/803859317.db2.gz KLGGFJKIGAELPY-ZSOGYDGISA-N 2 2 292.383 0.214 20 0 CCADLP CCOCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001276748351 803859325 /nfs/dbraw/zinc/85/93/25/803859325.db2.gz KLGGFJKIGAELPY-ZSOGYDGISA-N 2 2 292.383 0.214 20 0 CCADLP FC1(F)C[NH2+]C[C@@H]1Oc1n[nH]c2c1CCC[NH2+]C2 ZINC001218232972 803944038 /nfs/dbraw/zinc/94/40/38/803944038.db2.gz VWGRXFVSXJEHLX-VIFPVBQESA-N 2 2 258.272 0.431 20 0 CCADLP Cc1cc(C[C@@H](C)NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)on1 ZINC001218500187 803966296 /nfs/dbraw/zinc/96/62/96/803966296.db2.gz CSMOQXNCBQGKKT-PELKAZGASA-N 2 2 277.328 0.323 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1cnc2c(c1)COCC2 ZINC001218501911 803968540 /nfs/dbraw/zinc/96/85/40/803968540.db2.gz PRZVFJGHBFFWAP-UHFFFAOYSA-N 2 2 290.367 0.434 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2nc(C(F)(F)F)cs2)C1 ZINC001218519179 803982768 /nfs/dbraw/zinc/98/27/68/803982768.db2.gz RVFKDXPRQPHOKF-UHNVWZDZSA-N 2 2 280.275 0.790 20 0 CCADLP Cc1ccc2c(n[nH]c2NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)n1 ZINC001218543283 803995948 /nfs/dbraw/zinc/99/59/48/803995948.db2.gz SCSUBXLEVIGLSE-NSHDSACASA-N 2 2 299.338 0.508 20 0 CCADLP CCOC(=O)c1c(C)nsc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218546854 804000196 /nfs/dbraw/zinc/00/01/96/804000196.db2.gz OJTDTEVOEDCOKU-SFYZADRCSA-N 2 2 298.368 0.256 20 0 CCADLP Cc1cc(F)ncc1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218549798 804000272 /nfs/dbraw/zinc/00/02/72/804000272.db2.gz RMZSQKUDCPFNCK-KKFJDGPESA-N 2 2 264.304 0.689 20 0 CCADLP Nc1cc(Cl)nc(Cl)c1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218585704 804022125 /nfs/dbraw/zinc/02/21/25/804022125.db2.gz XOELUUIXKKPEPU-NJGYIYPDSA-N 2 2 290.154 0.456 20 0 CCADLP N=c1ccc(F)c(N)n1C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001218606364 804031679 /nfs/dbraw/zinc/03/16/79/804031679.db2.gz NYXKHZNKWMEMKW-LLVKDONJSA-N 2 2 289.314 0.336 20 0 CCADLP Nc1cc(Cl)cnc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218629530 804046104 /nfs/dbraw/zinc/04/61/04/804046104.db2.gz VMIBEPPWKOOJMD-VIFPVBQESA-N 2 2 280.719 0.549 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1c[nH]c2cccnc12 ZINC001218640547 804054209 /nfs/dbraw/zinc/05/42/09/804054209.db2.gz PKKHBNLVDDEBSW-JTQLQIEISA-N 2 2 284.323 0.805 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc(-c2ccncn2)cs1 ZINC001218665809 804072949 /nfs/dbraw/zinc/07/29/49/804072949.db2.gz SMZFHEFMNQWCAV-UWVGGRQHSA-N 2 2 289.364 0.690 20 0 CCADLP Cc1cc(NC(=O)C2([NH3+])CC[NH2+]CC2)c2cc[nH]c2n1 ZINC001218701035 804088007 /nfs/dbraw/zinc/08/80/07/804088007.db2.gz BNXMWLMIZZNVCR-UHFFFAOYSA-N 2 2 273.340 0.842 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cc(-c3ccccc3O)no2)C1 ZINC001218711943 804092342 /nfs/dbraw/zinc/09/23/42/804092342.db2.gz HNAFTUFVWNXKHE-KCJUWKMLSA-N 2 2 288.307 0.675 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1cc([C@H]2CCC[NH2+]2)no1 ZINC001218712603 804092646 /nfs/dbraw/zinc/09/26/46/804092646.db2.gz YZUZIXRSOVRAPW-LLVKDONJSA-N 3 2 293.371 0.379 20 0 CCADLP COc1cnc(Cl)c(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)n1 ZINC001218720432 804095762 /nfs/dbraw/zinc/09/57/62/804095762.db2.gz JEBQNPQTZYDYIT-ZETCQYMHSA-N 2 2 296.718 0.370 20 0 CCADLP CCc1cc2ncc(NC(=O)C3([NH3+])CC[NH2+]CC3)cn2n1 ZINC001218733573 804100743 /nfs/dbraw/zinc/10/07/43/804100743.db2.gz HQYIAHFIFBWBHO-UHFFFAOYSA-N 2 2 288.355 0.311 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cncnc2C(F)(F)F)C1 ZINC001218762631 804114455 /nfs/dbraw/zinc/11/44/55/804114455.db2.gz BKBTYSXTIKRPOH-RITPCOANSA-N 2 2 275.234 0.123 20 0 CCADLP [NH3+]CCCC[C@H]([NH3+])C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001218787341 804119589 /nfs/dbraw/zinc/11/95/89/804119589.db2.gz BYUDIWOYHADUGT-NSHDSACASA-N 3 2 261.329 0.729 20 0 CCADLP COc1cccc2ncnc(NC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])c21 ZINC001218790444 804121501 /nfs/dbraw/zinc/12/15/01/804121501.db2.gz JHVPVOYRRWPPAZ-IUCAKERBSA-N 2 2 287.323 0.124 20 0 CCADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1[NH2+]CC[C@@H]1O ZINC001218811763 804129240 /nfs/dbraw/zinc/12/92/40/804129240.db2.gz JQZKGRJHKQPOET-STQMWFEESA-N 2 2 272.308 0.534 20 0 CCADLP COc1cc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)cc(OC)c1 ZINC001218809904 804129626 /nfs/dbraw/zinc/12/96/26/804129626.db2.gz SFJOCPKXJYCFLK-ZDUSSCGKSA-N 2 2 290.323 0.935 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccc2c(c1)nnn2C ZINC001218877386 804144534 /nfs/dbraw/zinc/14/45/34/804144534.db2.gz HEYVACNMRVVBLL-NSHDSACASA-N 2 2 299.338 0.210 20 0 CCADLP Cn1cnc2ccc(NC(=O)C[NH2+]C3CC[NH2+]CC3)cc21 ZINC001218886265 804148229 /nfs/dbraw/zinc/14/82/29/804148229.db2.gz UGXASVSNCNLFLR-UHFFFAOYSA-N 2 2 287.367 0.853 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)S(=O)(=O)C=C2 ZINC001218927753 804158072 /nfs/dbraw/zinc/15/80/72/804158072.db2.gz KKEHPWCVUNFQME-JTQLQIEISA-N 2 2 281.337 0.059 20 0 CCADLP Cc1n[nH]c2cc(NC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)ccc12 ZINC001218930677 804159683 /nfs/dbraw/zinc/15/96/83/804159683.db2.gz CBOKPZGWJROABA-PELKAZGASA-N 2 2 259.313 0.499 20 0 CCADLP COC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(C2([NH3+])CCC2)cc1 ZINC001218971681 804168801 /nfs/dbraw/zinc/16/88/01/804168801.db2.gz AEEQROIOBRLYQH-LBPRGKRZSA-N 2 2 291.351 0.853 20 0 CCADLP Cc1cc(N)ccc1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001219319357 804270534 /nfs/dbraw/zinc/27/05/34/804270534.db2.gz XAZMWYPCBNJBCK-QKCSRTOESA-N 2 2 260.341 0.738 20 0 CCADLP C[C@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)c1ccncc1 ZINC001219600076 804368756 /nfs/dbraw/zinc/36/87/56/804368756.db2.gz HJRONGPVZHJSAM-CABZTGNLSA-N 2 2 259.313 0.552 20 0 CCADLP C[C@@H]1CCCC[C@@H]1CNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001219673200 804401677 /nfs/dbraw/zinc/40/16/77/804401677.db2.gz FYZHAHCFSQJVKX-NFAWXSAZSA-N 2 2 296.459 0.679 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])C2CCCCC2)C1 ZINC001219694051 804403602 /nfs/dbraw/zinc/40/36/02/804403602.db2.gz DZLBVRVTHGNTMO-STQMWFEESA-N 2 2 269.389 0.341 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])C2CCCCC2)C1 ZINC001219694051 804403605 /nfs/dbraw/zinc/40/36/05/804403605.db2.gz DZLBVRVTHGNTMO-STQMWFEESA-N 2 2 269.389 0.341 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])Cc2ccsc2)C1 ZINC001219694942 804406425 /nfs/dbraw/zinc/40/64/25/804406425.db2.gz OBULAJFOELCQST-RYUDHWBXSA-N 2 2 283.397 0.065 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])Cc2ccsc2)C1 ZINC001219694942 804406431 /nfs/dbraw/zinc/40/64/31/804406431.db2.gz OBULAJFOELCQST-RYUDHWBXSA-N 2 2 283.397 0.065 20 0 CCADLP C[C@@H](NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)c1cnc2ccccn21 ZINC001219701862 804409167 /nfs/dbraw/zinc/40/91/67/804409167.db2.gz RYEZDDGDUVYXJX-QHSOUUPTSA-N 2 2 299.378 0.733 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1Cc2ccccc2O1 ZINC001219923594 804448103 /nfs/dbraw/zinc/44/81/03/804448103.db2.gz SSRVWEAZXNMZFS-CHWSQXEVSA-N 2 2 286.335 0.399 20 0 CCADLP [NH3+]C1(C(=O)NCCOc2ccccc2F)CC[NH2+]CC1 ZINC001219936840 804451577 /nfs/dbraw/zinc/45/15/77/804451577.db2.gz WBJLCXRWXNIYQH-UHFFFAOYSA-N 2 2 281.331 0.402 20 0 CCADLP [NH3+]C1(C(=O)NCCC[NH2+]C2CCCCC2)CC[NH2+]CC1 ZINC001219954378 804458174 /nfs/dbraw/zinc/45/81/74/804458174.db2.gz HPYXRPDDMUAEDE-UHFFFAOYSA-N 3 2 282.432 0.496 20 0 CCADLP N=c1cc(C[NH3+])ccn1C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220045000 804482249 /nfs/dbraw/zinc/48/22/49/804482249.db2.gz HOSFGIYXFMKNGU-ZDUSSCGKSA-N 3 2 285.351 0.073 20 0 CCADLP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220062436 804492734 /nfs/dbraw/zinc/49/27/34/804492734.db2.gz YEDJKLWZRMZTEA-XQQFMLRXSA-N 3 2 268.405 0.056 20 0 CCADLP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220062436 804492740 /nfs/dbraw/zinc/49/27/40/804492740.db2.gz YEDJKLWZRMZTEA-XQQFMLRXSA-N 3 2 268.405 0.056 20 0 CCADLP CO[C@@H]1COCC[C@H]1NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220141766 804511345 /nfs/dbraw/zinc/51/13/45/804511345.db2.gz UZTYTCBPYWBJEQ-MGPQQGTHSA-N 2 2 293.367 0.179 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NCc2cc[nH]c(=O)c2)cc1 ZINC001220147869 804514400 /nfs/dbraw/zinc/51/44/00/804514400.db2.gz KLPWWJLIGCIEBH-ZDUSSCGKSA-N 2 2 286.335 0.676 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220158647 804521643 /nfs/dbraw/zinc/52/16/43/804521643.db2.gz CQPGEESXKXDSCW-OSAQELSMSA-N 3 2 291.399 0.318 20 0 CCADLP [NH3+]C1(C(=O)N[C@H]2CCC[C@]3(CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001220161953 804524388 /nfs/dbraw/zinc/52/43/88/804524388.db2.gz GWVFNEFTYVZEPZ-JSGCOSHPSA-N 3 2 280.416 0.106 20 0 CCADLP Cc1ncc(CNC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)cn1 ZINC001220177646 804526398 /nfs/dbraw/zinc/52/63/98/804526398.db2.gz SEEFRWXMPSNFMB-CQSZACIVSA-N 2 2 285.351 0.674 20 0 CCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001220185715 804530403 /nfs/dbraw/zinc/53/04/03/804530403.db2.gz JPHFJIKTRHQZBK-GUBZILKMSA-N 2 2 279.306 0.438 20 0 CCADLP CC[C@H](C)[C@@H]([NH2+]C)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC001220189304 804532564 /nfs/dbraw/zinc/53/25/64/804532564.db2.gz OMRNNRMZKQKKHK-HBNTYKKESA-N 2 2 277.359 0.982 20 0 CCADLP CC(C)C[C@@](C)([NH3+])C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001220197451 804534438 /nfs/dbraw/zinc/53/44/38/804534438.db2.gz DJAZJMWYXKHKBY-CQSZACIVSA-N 2 2 283.416 0.731 20 0 CCADLP Cc1ccc(CNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)c(F)c1F ZINC001220210136 804538021 /nfs/dbraw/zinc/53/80/21/804538021.db2.gz SDFVVLRWKSBEJN-ABAIWWIYSA-N 2 2 295.333 0.841 20 0 CCADLP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220220779 804540703 /nfs/dbraw/zinc/54/07/03/804540703.db2.gz FBTQJXNGCVRWBB-AGIUHOORSA-N 3 2 279.388 0.269 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)c1ccccc1C[NH3+] ZINC001220275178 804558793 /nfs/dbraw/zinc/55/87/93/804558793.db2.gz VGYLKAWWFCEBLP-UHFFFAOYSA-N 2 2 288.351 0.918 20 0 CCADLP [NH3+][C@H](C(=O)NCC[NH+]1CC2(COC2)C1)c1ccccc1 ZINC001220571376 804627984 /nfs/dbraw/zinc/62/79/84/804627984.db2.gz PYDCQGDSCVEBLK-ZDUSSCGKSA-N 2 2 275.352 0.135 20 0 CCADLP CCOC(=O)[C@H](NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)[C@@H](C)CC ZINC001220666509 804646075 /nfs/dbraw/zinc/64/60/75/804646075.db2.gz ZNPCWYXFASYHKV-UUIJZJDISA-N 2 2 297.399 0.032 20 0 CCADLP C[C@@](CO)(NC(=O)C1([NH3+])CC[NH2+]CC1)c1ccccc1 ZINC001220712229 804653276 /nfs/dbraw/zinc/65/32/76/804653276.db2.gz XQWCPCOJNKYHCK-AWEZNQCLSA-N 2 2 277.368 0.091 20 0 CCADLP O=C(NC1(C(F)(F)F)CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220838538 804677683 /nfs/dbraw/zinc/67/76/83/804677683.db2.gz TXNPFJWZJLKHFI-XCBNKYQSSA-N 2 2 263.263 0.149 20 0 CCADLP O=C(NCc1cc2ccncc2[nH]1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220868627 804685104 /nfs/dbraw/zinc/68/51/04/804685104.db2.gz MNDIAUWLKGBPMU-XHDPSFHLSA-N 2 2 285.351 0.131 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001220934750 804702565 /nfs/dbraw/zinc/70/25/65/804702565.db2.gz VGCJUHALLBPMKY-JHJVBQTASA-N 2 2 274.368 0.904 20 0 CCADLP COCc1ccc(CNC(=O)C2([NH3+])CC[NH2+]CC2)cc1 ZINC001220934560 804703307 /nfs/dbraw/zinc/70/33/07/804703307.db2.gz REHXGAYCBBUNJT-UHFFFAOYSA-N 2 2 277.368 0.530 20 0 CCADLP CC1(C)C[C@H](CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CCO1 ZINC001220953142 804706314 /nfs/dbraw/zinc/70/63/14/804706314.db2.gz MHDRADINZUKTDK-PWSUYJOCSA-N 2 2 280.372 0.601 20 0 CCADLP COC(=O)[C@@H]([NH3+])CCC(=O)NCc1[nH+]cn2ccccc12 ZINC001221008085 804716580 /nfs/dbraw/zinc/71/65/80/804716580.db2.gz IYGCMJQNEXYYIY-JTQLQIEISA-N 2 2 290.323 0.231 20 0 CCADLP CCOc1cccc(CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)n1 ZINC001221065511 804727130 /nfs/dbraw/zinc/72/71/30/804727130.db2.gz LSVMHFXZNDQMHD-WCFLWFBJSA-N 2 2 290.367 0.046 20 0 CCADLP CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001221163246 804739207 /nfs/dbraw/zinc/73/92/07/804739207.db2.gz WYCHVGROFLMVCO-CABCVRRESA-N 2 2 291.395 0.300 20 0 CCADLP CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001221163246 804739215 /nfs/dbraw/zinc/73/92/15/804739215.db2.gz WYCHVGROFLMVCO-CABCVRRESA-N 2 2 291.395 0.300 20 0 CCADLP CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001221163246 804739218 /nfs/dbraw/zinc/73/92/18/804739218.db2.gz WYCHVGROFLMVCO-CABCVRRESA-N 2 2 291.395 0.300 20 0 CCADLP CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001221163246 804739228 /nfs/dbraw/zinc/73/92/28/804739228.db2.gz WYCHVGROFLMVCO-CABCVRRESA-N 2 2 291.395 0.300 20 0 CCADLP CC(C)(CNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1)CC1CC1 ZINC001221168249 804739557 /nfs/dbraw/zinc/73/95/57/804739557.db2.gz FIKLOAYSYCTLBT-AWEZNQCLSA-N 2 2 296.459 0.679 20 0 CCADLP C[N@@H+]1CC[C@@H](CNC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)C1 ZINC001221254534 804759375 /nfs/dbraw/zinc/75/93/75/804759375.db2.gz PHBKIYZNLLLRHD-SMDDNHRTSA-N 3 2 276.384 0.327 20 0 CCADLP C[N@H+]1CC[C@@H](CNC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)C1 ZINC001221254534 804759379 /nfs/dbraw/zinc/75/93/79/804759379.db2.gz PHBKIYZNLLLRHD-SMDDNHRTSA-N 3 2 276.384 0.327 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C(=O)Nc2ccccc21 ZINC001221309650 804772598 /nfs/dbraw/zinc/77/25/98/804772598.db2.gz UHSLEBFDBGOFME-VXGBXAGGSA-N 2 2 299.334 0.132 20 0 CCADLP C[N@@H+]1CCCn2nc(C(=O)NCCCC[NH3+])cc2C1 ZINC001221347831 804785915 /nfs/dbraw/zinc/78/59/15/804785915.db2.gz DMFWDGKPYGPGAL-UHFFFAOYSA-N 2 2 265.361 0.187 20 0 CCADLP C[N@H+]1CCCn2nc(C(=O)NCCCC[NH3+])cc2C1 ZINC001221347831 804785919 /nfs/dbraw/zinc/78/59/19/804785919.db2.gz DMFWDGKPYGPGAL-UHFFFAOYSA-N 2 2 265.361 0.187 20 0 CCADLP CC(C)[C@H](NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)c1cccnc1 ZINC001221382721 804797622 /nfs/dbraw/zinc/79/76/22/804797622.db2.gz OGFPFJCYNSPKPG-OFQRWUPVSA-N 2 2 288.395 0.846 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)[C@@H](C)C1 ZINC001221407406 804807059 /nfs/dbraw/zinc/80/70/59/804807059.db2.gz LOSGXZGPRIXLRT-YTBGYOSVSA-N 3 2 294.443 0.443 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)[C@@H](C)C1 ZINC001221407406 804807068 /nfs/dbraw/zinc/80/70/68/804807068.db2.gz LOSGXZGPRIXLRT-YTBGYOSVSA-N 3 2 294.443 0.443 20 0 CCADLP [NH3+][C@H]1NC(CN2CCC[C@@]23CCC[NH2+]C3)=CS1 ZINC001222232147 804884017 /nfs/dbraw/zinc/88/40/17/804884017.db2.gz SETWHVKHOPHADA-NWDGAFQWSA-N 2 2 254.403 0.625 20 0 CCADLP c1cc2nonc2c(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c1 ZINC001222491930 804904398 /nfs/dbraw/zinc/90/43/98/804904398.db2.gz KNESQNFOWLZKOU-JSGCOSHPSA-N 2 2 287.367 0.749 20 0 CCADLP c1cc2nonc2c(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c1 ZINC001222491930 804904401 /nfs/dbraw/zinc/90/44/01/804904401.db2.gz KNESQNFOWLZKOU-JSGCOSHPSA-N 2 2 287.367 0.749 20 0 CCADLP COCCC[N@H+]1CC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001276964924 805028135 /nfs/dbraw/zinc/02/81/35/805028135.db2.gz ZOTSTTUJAALDPJ-GFCCVEGCSA-N 2 2 280.372 0.488 20 0 CCADLP COC[C@@H](C)[NH+]1CCC(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001224980173 805097924 /nfs/dbraw/zinc/09/79/24/805097924.db2.gz CGEOCGFBUIXBAO-GFCCVEGCSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001226696451 805268724 /nfs/dbraw/zinc/26/87/24/805268724.db2.gz HVQXXNPFCLFCBI-IACUBPJLSA-N 2 2 294.399 0.740 20 0 CCADLP C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001226696451 805268731 /nfs/dbraw/zinc/26/87/31/805268731.db2.gz HVQXXNPFCLFCBI-IACUBPJLSA-N 2 2 294.399 0.740 20 0 CCADLP C[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCO)n1cc[nH+]c1 ZINC001228835587 805482913 /nfs/dbraw/zinc/48/29/13/805482913.db2.gz GPPBETSMZDVGQA-BFHYXJOUSA-N 2 2 294.399 0.844 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)NCCc1cn(C)c[nH+]1 ZINC001229308067 805518925 /nfs/dbraw/zinc/51/89/25/805518925.db2.gz AHYWNNCIVCHNOZ-UHFFFAOYSA-N 2 2 297.403 0.230 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)NCCc1cn(C)c[nH+]1 ZINC001229308067 805518931 /nfs/dbraw/zinc/51/89/31/805518931.db2.gz AHYWNNCIVCHNOZ-UHFFFAOYSA-N 2 2 297.403 0.230 20 0 CCADLP Cc1cc(N)[nH+]cc1-c1nccc(N2CC[NH2+]CC2)n1 ZINC001242070889 806991917 /nfs/dbraw/zinc/99/19/17/806991917.db2.gz OOSZAUMUEBFVII-UHFFFAOYSA-N 2 2 270.340 0.839 20 0 CCADLP COCC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001278417631 807096431 /nfs/dbraw/zinc/09/64/31/807096431.db2.gz VRESVGFCDDOCNS-PWSUYJOCSA-N 2 2 280.372 0.486 20 0 CCADLP COCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCc2c[nH+]cn2C)C1 ZINC001278417701 807097209 /nfs/dbraw/zinc/09/72/09/807097209.db2.gz WJKQPXVAILRAMU-CHWSQXEVSA-N 2 2 294.399 0.578 20 0 CCADLP O[C@H](C[NH2+][C@H]1C[NH2+]CC12CC2)COCc1ccccc1 ZINC001245985902 807106458 /nfs/dbraw/zinc/10/64/58/807106458.db2.gz NKJCWKANDBTRMH-CABCVRRESA-N 2 2 276.380 0.906 20 0 CCADLP C[C@@H]1CC[N@H+](C[C@@H](O)COCc2ccco2)C[C@@H]1[NH3+] ZINC001246019444 807118712 /nfs/dbraw/zinc/11/87/12/807118712.db2.gz HPUREGZBFWDOFO-BZPMIXESSA-N 2 2 268.357 0.826 20 0 CCADLP C[C@@H]1CC[N@@H+](C[C@@H](O)COCc2ccco2)C[C@@H]1[NH3+] ZINC001246019444 807118718 /nfs/dbraw/zinc/11/87/18/807118718.db2.gz HPUREGZBFWDOFO-BZPMIXESSA-N 2 2 268.357 0.826 20 0 CCADLP C[C@@]1(C[NH3+])CCCC[N@H+](C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001246020167 807120368 /nfs/dbraw/zinc/12/03/68/807120368.db2.gz IGZXCCFTSHIQSM-UONOGXRCSA-N 3 2 255.406 0.552 20 0 CCADLP C[C@@]1(C[NH3+])CCCC[N@@H+](C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001246020167 807120371 /nfs/dbraw/zinc/12/03/71/807120371.db2.gz IGZXCCFTSHIQSM-UONOGXRCSA-N 3 2 255.406 0.552 20 0 CCADLP CC1(C[NH3+])C[NH+](C[C@@H](O)COc2ccccc2)C1 ZINC001246030904 807127031 /nfs/dbraw/zinc/12/70/31/807127031.db2.gz GGWIUXWHVAKCRY-GFCCVEGCSA-N 2 2 250.342 0.707 20 0 CCADLP F[C@H]1C[NH2+]CC[C@H]1[NH2+]C1CCN(c2ncccn2)CC1 ZINC001246088170 807147804 /nfs/dbraw/zinc/14/78/04/807147804.db2.gz RRGJEJCBMRBTBM-QWHCGFSZSA-N 2 2 279.363 0.735 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H](C)C[NH2+]2)CN1 ZINC001246109517 807155602 /nfs/dbraw/zinc/15/56/02/807155602.db2.gz XTOXEIRJRAHUFT-VOAKCMCISA-N 2 2 269.389 0.258 20 0 CCADLP CC[C@@]1(C(=O)OC)C[C@@H](N[C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246127736 807161348 /nfs/dbraw/zinc/16/13/48/807161348.db2.gz MYOWBMWGRAMDFJ-LOWVWBTDSA-N 2 2 255.362 0.012 20 0 CCADLP COC(=O)CC[C@@H](C)[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246152453 807168746 /nfs/dbraw/zinc/16/87/46/807168746.db2.gz YVDLDYQTDIBQGQ-OLZOCXBDSA-N 3 2 283.416 0.792 20 0 CCADLP COCCOCCOCC[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246206656 807186418 /nfs/dbraw/zinc/18/64/18/807186418.db2.gz KJSNMZQILJVLTG-CHWSQXEVSA-N 2 2 260.378 0.396 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@H]2COCCC23OCCO3)CC[NH2+]1 ZINC001246219903 807191491 /nfs/dbraw/zinc/19/14/91/807191491.db2.gz AJTAUCCMAHWWCO-UTUOFQBUSA-N 2 2 256.346 0.249 20 0 CCADLP CC[C@@]1(C(=O)OC)C[C@@H](NC2(C(F)(F)F)C[NH2+]C2)C[NH2+]1 ZINC001246255993 807200023 /nfs/dbraw/zinc/20/00/23/807200023.db2.gz ZUYIAXLHCOUTPR-SCZZXKLOSA-N 2 2 295.305 0.164 20 0 CCADLP O[C@@]1(C[NH2+][C@H]2CCC[NH2+]C2)CCOc2ccccc21 ZINC001246273025 807204132 /nfs/dbraw/zinc/20/41/32/807204132.db2.gz RPVPHTZUBLBQHX-SWLSCSKDSA-N 2 2 262.353 0.998 20 0 CCADLP CCCCOC(=O)CC[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1CO ZINC001246299996 807213563 /nfs/dbraw/zinc/21/35/63/807213563.db2.gz OKNKFVGKWAULGW-RWMBFGLXSA-N 2 2 272.389 0.668 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001246302301 807213748 /nfs/dbraw/zinc/21/37/48/807213748.db2.gz CJGCAYYZJPIBAD-JVLSTEMRSA-N 2 2 282.334 0.992 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCc2cccc(F)c2C1 ZINC001246302341 807215776 /nfs/dbraw/zinc/21/57/76/807215776.db2.gz DARPDOLJFDNNPQ-YWPYICTPSA-N 2 2 264.344 0.853 20 0 CCADLP C1C[C@@H](N2CCOCC2)[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC001246333788 807225661 /nfs/dbraw/zinc/22/56/61/807225661.db2.gz AFRIPTNYCCUUCW-HZSPNIEDSA-N 2 2 253.390 0.581 20 0 CCADLP c1cc(N2CCC[C@H]([NH2+][C@H]3CCC[NH2+]C3)C2)ncn1 ZINC001246383939 807238894 /nfs/dbraw/zinc/23/88/94/807238894.db2.gz MRBWEZKRTLVQIG-STQMWFEESA-N 2 2 261.373 0.787 20 0 CCADLP COC(=O)[C@H](CCC[NH3+])[NH2+][C@@H]1CCN[C@@H](C(F)(F)F)C1 ZINC001246402539 807243253 /nfs/dbraw/zinc/24/32/53/807243253.db2.gz XCWLJYYDZCXMPV-KXUCPTDWSA-N 2 2 297.321 0.539 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Nc2ccc(OC)c(C[NH3+])c2)C[NH2+]1 ZINC001246456124 807253909 /nfs/dbraw/zinc/25/39/09/807253909.db2.gz YZJRGYWEVZSYDA-RYUDHWBXSA-N 2 2 279.340 0.469 20 0 CCADLP C[C@H]1CC[C@H]([NH2+]CC2CC[NH+](C3COC3)CC2)C[NH2+]1 ZINC001246465010 807257817 /nfs/dbraw/zinc/25/78/17/807257817.db2.gz HSPORXSOZYPHOF-JSGCOSHPSA-N 3 2 267.417 0.827 20 0 CCADLP C[C@H]1CC[C@H]([NH2+]CC2CC[NH+](C3COC3)CC2)CN1 ZINC001246465010 807257821 /nfs/dbraw/zinc/25/78/21/807257821.db2.gz HSPORXSOZYPHOF-JSGCOSHPSA-N 2 2 267.417 0.827 20 0 CCADLP C[C@@H]1C[C@@H]([N@@H+]2C[C@](O)(C(F)(F)F)C[C@H]2CO)CC[NH2+]1 ZINC001246568747 807295109 /nfs/dbraw/zinc/29/51/09/807295109.db2.gz AYFRPPSEKFNHBJ-RCWTZXSCSA-N 2 2 282.306 0.487 20 0 CCADLP C[C@@H]1C[C@@H]([N@H+]2C[C@](O)(C(F)(F)F)C[C@H]2CO)CC[NH2+]1 ZINC001246568747 807295115 /nfs/dbraw/zinc/29/51/15/807295115.db2.gz AYFRPPSEKFNHBJ-RCWTZXSCSA-N 2 2 282.306 0.487 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+]([C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C[C@@H]1O ZINC001246578631 807299507 /nfs/dbraw/zinc/29/95/07/807299507.db2.gz GVISXHURFQWGEZ-JONQDZQNSA-N 3 2 275.396 0.731 20 0 CCADLP [NH3+]C[C@H]1C[N@H+]([C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C[C@@H]1O ZINC001246578631 807299509 /nfs/dbraw/zinc/29/95/09/807299509.db2.gz GVISXHURFQWGEZ-JONQDZQNSA-N 3 2 275.396 0.731 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H]([N@@H+]2C[C@H](C[NH3+])CC[C@H]2C)CN1 ZINC001246590071 807309831 /nfs/dbraw/zinc/30/98/31/807309831.db2.gz IDXIJYPGIGCHKH-UKTARXLSSA-N 2 2 283.416 0.729 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H]([N@H+]2C[C@H](C[NH3+])CC[C@H]2C)CN1 ZINC001246590071 807309838 /nfs/dbraw/zinc/30/98/38/807309838.db2.gz IDXIJYPGIGCHKH-UKTARXLSSA-N 2 2 283.416 0.729 20 0 CCADLP C[C@@H]1CC[C@H]([N@@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)C[NH2+]1 ZINC001246684144 807354654 /nfs/dbraw/zinc/35/46/54/807354654.db2.gz KZZKNYGSYDKTJI-GZBLMMOJSA-N 3 2 265.401 0.580 20 0 CCADLP C[C@@H]1CC[C@H]([N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)C[NH2+]1 ZINC001246684144 807354661 /nfs/dbraw/zinc/35/46/61/807354661.db2.gz KZZKNYGSYDKTJI-GZBLMMOJSA-N 3 2 265.401 0.580 20 0 CCADLP C1[C@@H]2C[NH2+]C[C@@]3(CC[N@@H+]([C@H]4CCC[NH2+]C4)C[C@H]13)O2 ZINC001246687155 807356029 /nfs/dbraw/zinc/35/60/29/807356029.db2.gz VLTUKFNMWOMYNL-IGQOVBAYSA-N 3 2 251.374 0.191 20 0 CCADLP C1[C@@H]2C[NH2+]C[C@@]3(CC[N@H+]([C@H]4CCC[NH2+]C4)C[C@H]13)O2 ZINC001246687155 807356038 /nfs/dbraw/zinc/35/60/38/807356038.db2.gz VLTUKFNMWOMYNL-IGQOVBAYSA-N 3 2 251.374 0.191 20 0 CCADLP CN(C)C(=O)[C@H]1CC12CC[NH+]([C@H]1CCC[NH2+]C1)CC2 ZINC001246759566 807373524 /nfs/dbraw/zinc/37/35/24/807373524.db2.gz NGZGDWHZGPWUJZ-QWHCGFSZSA-N 2 2 265.401 0.929 20 0 CCADLP C[C@H]1C[C@@H](N2CC[NH+](C3(C)CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC001246813217 807391117 /nfs/dbraw/zinc/39/11/17/807391117.db2.gz MAZFYWVGCLHTBN-GJZGRUSLSA-N 3 2 280.460 0.887 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N2CC([NH+]3CCC(F)CC3)C2)C[NH2+]1 ZINC001246837165 807400591 /nfs/dbraw/zinc/40/05/91/807400591.db2.gz ZRGJJCWFBVABKA-AAEUAGOBSA-N 2 2 285.363 0.008 20 0 CCADLP COC(=O)C1C[C@@H]2CC([N@@H+]3C[C@@H]4CC[C@]4([NH3+])C3)C[C@H](C1)[NH2+]2 ZINC001246865154 807413516 /nfs/dbraw/zinc/41/35/16/807413516.db2.gz YCTBJQFBURJCIY-NOOBNOIDSA-N 3 2 293.411 0.482 20 0 CCADLP COC(=O)C1C[C@@H]2CC([N@H+]3C[C@@H]4CC[C@]4([NH3+])C3)C[C@H](C1)[NH2+]2 ZINC001246865154 807413519 /nfs/dbraw/zinc/41/35/19/807413519.db2.gz YCTBJQFBURJCIY-NOOBNOIDSA-N 3 2 293.411 0.482 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+]([C@H]2CCOC(C)(C)C2)C[C@H]1[NH3+] ZINC001246929990 807432234 /nfs/dbraw/zinc/43/22/34/807432234.db2.gz JCFUAVWNZNPBPE-HBNTYKKESA-N 2 2 256.346 0.376 20 0 CCADLP COC(=O)[C@@H]1C[N@H+]([C@H]2CCOC(C)(C)C2)C[C@H]1[NH3+] ZINC001246929990 807432235 /nfs/dbraw/zinc/43/22/35/807432235.db2.gz JCFUAVWNZNPBPE-HBNTYKKESA-N 2 2 256.346 0.376 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C[C@@H]1[NH3+] ZINC001246933224 807433131 /nfs/dbraw/zinc/43/31/31/807433131.db2.gz REJMHZMSMZNPAC-UPJWGTAASA-N 3 2 281.400 0.341 20 0 CCADLP COC(=O)[C@@H]1C[N@H+]([C@@H]2CCC3(C2)CC[NH2+]CC3)C[C@@H]1[NH3+] ZINC001246933224 807433134 /nfs/dbraw/zinc/43/31/34/807433134.db2.gz REJMHZMSMZNPAC-UPJWGTAASA-N 3 2 281.400 0.341 20 0 CCADLP COC(=O)[C@H]1C[C@@H](N(CC(C)(C)C)C2CC[NH2+]CC2)C[NH2+]1 ZINC001246946437 807439523 /nfs/dbraw/zinc/43/95/23/807439523.db2.gz MUGSLVFJIMWFGJ-ZIAGYGMSSA-N 2 2 297.443 0.990 20 0 CCADLP Cc1ccc(C)c(NC[C@@H](O)C[NH+]2CCOCC2)[nH+]1 ZINC001251006386 807637214 /nfs/dbraw/zinc/63/72/14/807637214.db2.gz FYGLCIYEFOMIGR-CYBMUJFWSA-N 2 2 265.357 0.803 20 0 CCADLP Cc1[nH]c2ccc(NC[C@H](O)C[NH+]3CCOCC3)cc2[nH+]1 ZINC001251028260 807647735 /nfs/dbraw/zinc/64/77/35/807647735.db2.gz ZTGVCVFWTAHJEM-ZDUSSCGKSA-N 2 2 290.367 0.976 20 0 CCADLP C[C@H](CC[NH2+][C@H]1CCCS(=O)(=O)CC1)[NH+](C)C ZINC000697848414 815144905 /nfs/dbraw/zinc/14/49/05/815144905.db2.gz MSDBALYTEKUDAX-NEPJUHHUSA-N 2 2 262.419 0.884 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@]2(CCCC(=O)N2)C1 ZINC001253186509 808020906 /nfs/dbraw/zinc/02/09/06/808020906.db2.gz ZHEFAZNGLHRTQU-GDBMZVCRSA-N 2 2 297.443 0.824 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@]2(CCCC(=O)N2)C1 ZINC001253186509 808020914 /nfs/dbraw/zinc/02/09/14/808020914.db2.gz ZHEFAZNGLHRTQU-GDBMZVCRSA-N 2 2 297.443 0.824 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C ZINC001253186374 808020974 /nfs/dbraw/zinc/02/09/74/808020974.db2.gz OBZPPJKFJKRHII-MGPQQGTHSA-N 2 2 283.416 0.384 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C ZINC001253186374 808020980 /nfs/dbraw/zinc/02/09/80/808020980.db2.gz OBZPPJKFJKRHII-MGPQQGTHSA-N 2 2 283.416 0.384 20 0 CCADLP CC[NH+](CC)C[C@@H](O)CN1CCn2c[nH+]cc2C1 ZINC001253187680 808022005 /nfs/dbraw/zinc/02/20/05/808022005.db2.gz HSHNEYVMNWBROV-CYBMUJFWSA-N 2 2 252.362 0.401 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]Cc1ccc2c(c1)CC(=O)N2 ZINC001253211885 808035005 /nfs/dbraw/zinc/03/50/05/808035005.db2.gz BRLWRYUVRDHBLB-CQSZACIVSA-N 2 2 291.395 0.974 20 0 CCADLP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H](O)C(=O)OC(C)(C)C)C2)C1 ZINC001253691585 808118315 /nfs/dbraw/zinc/11/83/15/808118315.db2.gz RHZGKZUUEINYBW-DOMZBBRYSA-N 2 2 284.400 0.717 20 0 CCADLP C[N@H+]1CC[C@]2(CC[NH+](C[C@@H](O)C(=O)OC(C)(C)C)C2)C1 ZINC001253691585 808118318 /nfs/dbraw/zinc/11/83/18/808118318.db2.gz RHZGKZUUEINYBW-DOMZBBRYSA-N 2 2 284.400 0.717 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H](O)C(=O)OC(C)(C)C)C2)C1 ZINC001253691585 808118321 /nfs/dbraw/zinc/11/83/21/808118321.db2.gz RHZGKZUUEINYBW-DOMZBBRYSA-N 2 2 284.400 0.717 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H](O)C(=O)OC(C)(C)C)C2)C1 ZINC001253691585 808118323 /nfs/dbraw/zinc/11/83/23/808118323.db2.gz RHZGKZUUEINYBW-DOMZBBRYSA-N 2 2 284.400 0.717 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@H+](CC)CCn1cc[nH+]c1 ZINC001253799246 808146181 /nfs/dbraw/zinc/14/61/81/808146181.db2.gz BBGPNNXGLZWNLZ-LBPRGKRZSA-N 2 2 269.345 0.519 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@@H+](CC)CCn1cc[nH+]c1 ZINC001253799246 808146184 /nfs/dbraw/zinc/14/61/84/808146184.db2.gz BBGPNNXGLZWNLZ-LBPRGKRZSA-N 2 2 269.345 0.519 20 0 CCADLP CN(C[C@H](O)C[NH2+]CCCF)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001278768120 808196033 /nfs/dbraw/zinc/19/60/33/808196033.db2.gz OKUGUFCRDXOJIQ-IJLUTSLNSA-N 2 2 298.362 0.282 20 0 CCADLP CN(C[C@H](O)C[NH2+]CCCF)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001278768120 808196037 /nfs/dbraw/zinc/19/60/37/808196037.db2.gz OKUGUFCRDXOJIQ-IJLUTSLNSA-N 2 2 298.362 0.282 20 0 CCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)N[C@@H]1CCC[N@H+](C)CC1 ZINC001254510485 808247588 /nfs/dbraw/zinc/24/75/88/808247588.db2.gz WYUYWQIORFJZMN-OCCSQVGLSA-N 2 2 294.399 0.578 20 0 CCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)N[C@@H]1CCC[N@@H+](C)CC1 ZINC001254510485 808247595 /nfs/dbraw/zinc/24/75/95/808247595.db2.gz WYUYWQIORFJZMN-OCCSQVGLSA-N 2 2 294.399 0.578 20 0 CCADLP C[NH+]1CC(C(=O)N2CC[N@@H+]3CCc4ccccc4[C@@H]3C2)C1 ZINC001142596003 815189297 /nfs/dbraw/zinc/18/92/97/815189297.db2.gz WLRYFVOLWZGNPR-INIZCTEOSA-N 2 2 285.391 0.990 20 0 CCADLP C[NH+]1CC(C(=O)N2CC[N@H+]3CCc4ccccc4[C@@H]3C2)C1 ZINC001142596003 815189301 /nfs/dbraw/zinc/18/93/01/815189301.db2.gz WLRYFVOLWZGNPR-INIZCTEOSA-N 2 2 285.391 0.990 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000030909871 815190212 /nfs/dbraw/zinc/19/02/12/815190212.db2.gz CHVRZMANHXLVME-GFCCVEGCSA-N 2 2 288.351 0.926 20 0 CCADLP Cn1ccc(C[NH2+][C@H]2CC3CC[NH+](CC3)C2)cc1=O ZINC001254839137 808283498 /nfs/dbraw/zinc/28/34/98/808283498.db2.gz MANADAPRAMFQDO-AWEZNQCLSA-N 2 2 261.369 0.959 20 0 CCADLP CC(=O)N1CC[C@H]([NH2+][C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254849004 808286531 /nfs/dbraw/zinc/28/65/31/808286531.db2.gz QJQZBUMOOVLTQS-UONOGXRCSA-N 2 2 251.374 0.681 20 0 CCADLP COC(=O)[C@H]([NH3+])Cc1cn([C@H]2CC3CC[NH+](CC3)C2)cn1 ZINC001254853015 808288054 /nfs/dbraw/zinc/28/80/54/808288054.db2.gz UWUQRXHDWOPOCH-UONOGXRCSA-N 2 2 292.383 0.583 20 0 CCADLP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C1CC([NH3+])C1 ZINC001255806350 808429601 /nfs/dbraw/zinc/42/96/01/808429601.db2.gz DKLAOPMZOFQZNL-VOMCLLRMSA-N 2 2 268.382 0.928 20 0 CCADLP OC[C@H]1C[N@@H+](C2CC[NH+](C3CC3)CC2)CC[C@H]1O ZINC001256075086 808466870 /nfs/dbraw/zinc/46/68/70/808466870.db2.gz CMXYWELJVBAIGU-BXUZGUMPSA-N 2 2 254.374 0.288 20 0 CCADLP OC[C@H]1C[N@H+](C2CC[NH+](C3CC3)CC2)CC[C@H]1O ZINC001256075086 808466872 /nfs/dbraw/zinc/46/68/72/808466872.db2.gz CMXYWELJVBAIGU-BXUZGUMPSA-N 2 2 254.374 0.288 20 0 CCADLP COC(=O)N1CCC[N@@H+](C2CC[NH+](C)CC2)CC1 ZINC001256203129 808477841 /nfs/dbraw/zinc/47/78/41/808477841.db2.gz RKMHYIRDOBDEBF-UHFFFAOYSA-N 2 2 255.362 0.855 20 0 CCADLP COC(=O)N1CCC[N@H+](C2CC[NH+](C)CC2)CC1 ZINC001256203129 808477844 /nfs/dbraw/zinc/47/78/44/808477844.db2.gz RKMHYIRDOBDEBF-UHFFFAOYSA-N 2 2 255.362 0.855 20 0 CCADLP CC(=O)N1CCC2(C[NH+](C3CC[NH+](C)CC3)C2)C1 ZINC001256207302 808479702 /nfs/dbraw/zinc/47/97/02/808479702.db2.gz HDQBIGJBKDQNQC-UHFFFAOYSA-N 2 2 251.374 0.635 20 0 CCADLP CCOC(=O)N1CCC(NC(=[NH2+])N2CC[NH+](C)CC2)CC1 ZINC001256231961 808483042 /nfs/dbraw/zinc/48/30/42/808483042.db2.gz ARSSISFZXPABRE-UHFFFAOYSA-N 2 2 297.403 0.379 20 0 CCADLP C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC001256320527 808491710 /nfs/dbraw/zinc/49/17/10/808491710.db2.gz PXSMLLRZBMCARG-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP COC(=O)[C@H]([NH3+])Cc1cn(C2CC[NH+](C(C)C)CC2)cn1 ZINC001257213579 808598741 /nfs/dbraw/zinc/59/87/41/808598741.db2.gz QSFUXKXDJSZVQP-CQSZACIVSA-N 2 2 294.399 0.971 20 0 CCADLP C[C@@H](CC(=O)NCC1([NH3+])CCOCC1)n1cc[nH+]c1 ZINC001262009342 809153241 /nfs/dbraw/zinc/15/32/41/809153241.db2.gz SRLOVRWEXWNIEO-NSHDSACASA-N 2 2 266.345 0.458 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC001262652890 809386474 /nfs/dbraw/zinc/38/64/74/809386474.db2.gz SWIBXHSLVYJKKE-NSHDSACASA-N 2 2 250.346 0.563 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001262652890 809386478 /nfs/dbraw/zinc/38/64/78/809386478.db2.gz SWIBXHSLVYJKKE-NSHDSACASA-N 2 2 250.346 0.563 20 0 CCADLP C[C@@H]1C[N@H+](CCNc2cc[nH+]c(N)n2)[C@H](C)CO1 ZINC001262701076 809400415 /nfs/dbraw/zinc/40/04/15/809400415.db2.gz AMCPREXYMZWJFN-NXEZZACHSA-N 2 2 251.334 0.580 20 0 CCADLP C[C@@H]1C[N@@H+](CCNc2cc[nH+]c(N)n2)[C@H](C)CO1 ZINC001262701076 809400420 /nfs/dbraw/zinc/40/04/20/809400420.db2.gz AMCPREXYMZWJFN-NXEZZACHSA-N 2 2 251.334 0.580 20 0 CCADLP Cc1cnc(F)c(C(=O)NCC[NH+]2CCC([NH3+])CC2)c1 ZINC001263192307 809476887 /nfs/dbraw/zinc/47/68/87/809476887.db2.gz VIQKEWAJAFANPO-UHFFFAOYSA-N 2 2 280.347 0.682 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]C[C@H]1CCOC1 ZINC001265829558 809867304 /nfs/dbraw/zinc/86/73/04/809867304.db2.gz CSUWFFDGBYFIOP-WDEREUQCSA-N 2 2 266.345 0.083 20 0 CCADLP COCC[NH2+]CC[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001280240775 810010133 /nfs/dbraw/zinc/01/01/33/810010133.db2.gz IGUFBYPRNXOUNN-LBPRGKRZSA-N 2 2 280.372 0.427 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001267308760 811131164 /nfs/dbraw/zinc/13/11/64/811131164.db2.gz GCIXKOKSLPWIDM-ZDUSSCGKSA-N 2 2 262.357 0.731 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001267308760 811131168 /nfs/dbraw/zinc/13/11/68/811131168.db2.gz GCIXKOKSLPWIDM-ZDUSSCGKSA-N 2 2 262.357 0.731 20 0 CCADLP Cc1nnc(C[NH2+]CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)o1 ZINC001267374478 811233002 /nfs/dbraw/zinc/23/30/02/811233002.db2.gz CBGGEVJTPPHBMN-ZYHUDNBSSA-N 2 2 295.387 0.266 20 0 CCADLP Cc1nnc(C[NH2+]CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)o1 ZINC001267374478 811233009 /nfs/dbraw/zinc/23/30/09/811233009.db2.gz CBGGEVJTPPHBMN-ZYHUDNBSSA-N 2 2 295.387 0.266 20 0 CCADLP CC(C)[C@@H](C(=O)N(C)CC[NH2+]Cc1cnon1)[NH+](C)C ZINC001267387159 811270442 /nfs/dbraw/zinc/27/04/42/811270442.db2.gz IKRZUJCUCLXKMU-LBPRGKRZSA-N 2 2 283.376 0.204 20 0 CCADLP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1nnc(C)o1)[NH+](C)C ZINC001267429839 811302593 /nfs/dbraw/zinc/30/25/93/811302593.db2.gz GPMALKXBEIAMTO-NSHDSACASA-N 2 2 283.376 0.266 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]C/C=C\Cl ZINC001149134274 811332251 /nfs/dbraw/zinc/33/22/51/811332251.db2.gz HJRHPQRYCWDJHA-IHWYPQMZSA-N 2 2 256.737 0.719 20 0 CCADLP C[C@H]1CC[C@@H](C[NH2+]CCN(C)C(=O)Cn2cc[nH+]c2)O1 ZINC001267479426 811364493 /nfs/dbraw/zinc/36/44/93/811364493.db2.gz UPBWOFLMUSFWMR-STQMWFEESA-N 2 2 280.372 0.499 20 0 CCADLP C[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001104728923 811561063 /nfs/dbraw/zinc/56/10/63/811561063.db2.gz HTQIUORJBUGDJA-FRRDWIJNSA-N 2 2 294.399 0.407 20 0 CCADLP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001077251840 815469122 /nfs/dbraw/zinc/46/91/22/815469122.db2.gz RNGMDWTYOICMTB-MRVWCRGKSA-N 2 2 292.383 0.015 20 0 CCADLP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001077251840 815469125 /nfs/dbraw/zinc/46/91/25/815469125.db2.gz RNGMDWTYOICMTB-MRVWCRGKSA-N 2 2 292.383 0.015 20 0 CCADLP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001077260290 815469198 /nfs/dbraw/zinc/46/91/98/815469198.db2.gz ASQRYJQLJMSQKT-MRVWCRGKSA-N 2 2 292.383 0.017 20 0 CCADLP [NH2+]=C(NCCn1cc[nH+]c1)NC[C@@H]1CCCS1 ZINC000905041396 815508080 /nfs/dbraw/zinc/50/80/80/815508080.db2.gz IRCJTBQQZYMVED-JTQLQIEISA-N 2 2 253.375 0.893 20 0 CCADLP c1c2c(nnc1NCC[NH+]1CCSCC1)C[NH2+]C2 ZINC001167835036 812241393 /nfs/dbraw/zinc/24/13/93/812241393.db2.gz RDBDXJTZJICKBE-UHFFFAOYSA-N 2 2 265.386 0.541 20 0 CCADLP CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001268150160 812307889 /nfs/dbraw/zinc/30/78/89/812307889.db2.gz KQMRSBIMWPFWAK-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001268150160 812307899 /nfs/dbraw/zinc/30/78/99/812307899.db2.gz KQMRSBIMWPFWAK-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP CCN(CC[NH2+]Cc1nncs1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001268439566 812570047 /nfs/dbraw/zinc/57/00/47/812570047.db2.gz RGFUWFHQTGPFBU-NSHDSACASA-N 2 2 297.428 0.570 20 0 CCADLP N=C(Nc1ccn2cc(N)[nH+]c2c1)SCC[NH3+] ZINC001167915777 812626747 /nfs/dbraw/zinc/62/67/47/812626747.db2.gz XXXUDWWNXLUYSC-UHFFFAOYSA-N 2 2 250.331 0.955 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1c1nc(-c2cccc3ccnn32)no1 ZINC001211757469 812682482 /nfs/dbraw/zinc/68/24/82/812682482.db2.gz AJZYUNOZBQCCTN-UWVGGRQHSA-N 2 2 270.296 0.398 20 0 CCADLP Cc1cc(-c2noc([C@H]3C[NH2+]C[C@@H]3[NH3+])n2)cc(C)n1 ZINC001211757602 812687991 /nfs/dbraw/zinc/68/79/91/812687991.db2.gz HCZMEVVUOVDZHH-QWRGUYRKSA-N 2 2 259.313 0.763 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC/C=C\C[NH2+]CC1CC1 ZINC001268616930 812950517 /nfs/dbraw/zinc/95/05/17/812950517.db2.gz FMDOLRQHGWFRSZ-IHWYPQMZSA-N 2 2 262.357 0.933 20 0 CCADLP CCOCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001268661700 812989604 /nfs/dbraw/zinc/98/96/04/812989604.db2.gz GAMLHWWIUCOHSA-JHJVBQTASA-N 2 2 294.399 0.654 20 0 CCADLP CC(C)[NH2+]C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001268713984 813028796 /nfs/dbraw/zinc/02/87/96/813028796.db2.gz ZOEBHXNOIZVNLB-NSHDSACASA-N 2 2 252.362 0.855 20 0 CCADLP O=C(NC[C@@H]1CC[N@@H+](CCF)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001028639549 813092990 /nfs/dbraw/zinc/09/29/90/813092990.db2.gz YXAAFNXXHZMHRK-QWHCGFSZSA-N 2 2 294.374 0.853 20 0 CCADLP O=C(NC[C@@H]1CC[N@H+](CCF)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001028639549 813093000 /nfs/dbraw/zinc/09/30/00/813093000.db2.gz YXAAFNXXHZMHRK-QWHCGFSZSA-N 2 2 294.374 0.853 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCCO ZINC001038409169 813553286 /nfs/dbraw/zinc/55/32/86/813553286.db2.gz NJDXBYTZJLFHJC-STQMWFEESA-N 2 2 269.389 0.044 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCCO ZINC001038409169 813553288 /nfs/dbraw/zinc/55/32/88/813553288.db2.gz NJDXBYTZJLFHJC-STQMWFEESA-N 2 2 269.389 0.044 20 0 CCADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCCO ZINC001038409169 813553292 /nfs/dbraw/zinc/55/32/92/813553292.db2.gz NJDXBYTZJLFHJC-STQMWFEESA-N 2 2 269.389 0.044 20 0 CCADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCCO ZINC001038409169 813553295 /nfs/dbraw/zinc/55/32/95/813553295.db2.gz NJDXBYTZJLFHJC-STQMWFEESA-N 2 2 269.389 0.044 20 0 CCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001270195847 813672686 /nfs/dbraw/zinc/67/26/86/813672686.db2.gz QTBZULXOZYBJMC-OKILXGFUSA-N 2 2 291.399 0.120 20 0 CCADLP C[NH2+][C@@]12CC[C@@](NC(=O)[C@H](CO)n3cc[nH+]c3)(C1)CCC2 ZINC001270399263 813749007 /nfs/dbraw/zinc/74/90/07/813749007.db2.gz NQXLZJQXSNWYJK-AEGPPILISA-N 2 2 292.383 0.598 20 0 CCADLP COC[C@H](C)[NH2+]C[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001270612107 813836359 /nfs/dbraw/zinc/83/63/59/813836359.db2.gz OVNITMQIBMIOPQ-RYUDHWBXSA-N 2 2 268.361 0.260 20 0 CCADLP C[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCO)n1cc[nH+]c1 ZINC001029495342 814315946 /nfs/dbraw/zinc/31/59/46/814315946.db2.gz FPUMRSLCRYIASC-MELADBBJSA-N 2 2 292.383 0.502 20 0 CCADLP C[C@@H](CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO)n1cc[nH+]c1 ZINC001029495342 814315954 /nfs/dbraw/zinc/31/59/54/814315954.db2.gz FPUMRSLCRYIASC-MELADBBJSA-N 2 2 292.383 0.502 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1 ZINC001088059264 814325736 /nfs/dbraw/zinc/32/57/36/814325736.db2.gz RAYQEOWAISOSES-KGLIPLIRSA-N 2 2 292.383 0.046 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001088059264 814325742 /nfs/dbraw/zinc/32/57/42/814325742.db2.gz RAYQEOWAISOSES-KGLIPLIRSA-N 2 2 292.383 0.046 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+](CC3CCCCC3)C2)C1 ZINC001030179601 815872087 /nfs/dbraw/zinc/87/20/87/815872087.db2.gz BUWPWYPCZJXNBI-OAHLLOKOSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)NC2C[NH+](CC3CCCCC3)C2)C1 ZINC001030179601 815872096 /nfs/dbraw/zinc/87/20/96/815872096.db2.gz BUWPWYPCZJXNBI-OAHLLOKOSA-N 2 2 295.427 0.698 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NC2C[NH+](C[C@@H](C)OC)C2)CC[N@@H+]1C ZINC001030338818 815982428 /nfs/dbraw/zinc/98/24/28/815982428.db2.gz AEBWDZPUEGCSTL-KWCYVHTRSA-N 2 2 283.416 0.552 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NC2C[NH+](C[C@@H](C)OC)C2)CC[N@H+]1C ZINC001030338818 815982431 /nfs/dbraw/zinc/98/24/31/815982431.db2.gz AEBWDZPUEGCSTL-KWCYVHTRSA-N 2 2 283.416 0.552 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CC1CC1 ZINC001088981954 816201927 /nfs/dbraw/zinc/20/19/27/816201927.db2.gz WFVALFICZDJLOL-RISCZKNCSA-N 2 2 276.384 0.952 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1CC1CC1 ZINC001088981954 816201932 /nfs/dbraw/zinc/20/19/32/816201932.db2.gz WFVALFICZDJLOL-RISCZKNCSA-N 2 2 276.384 0.952 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC1C[NH+](C[C@@H]2CC[C@H](C)O2)C1 ZINC001030684075 816216222 /nfs/dbraw/zinc/21/62/22/816216222.db2.gz KQVOEDUSMFEYIL-JSGCOSHPSA-N 2 2 292.383 0.559 20 0 CCADLP O=C(NC1C[NH+](CCCO)C1)c1ccc2c[nH+]cn2c1 ZINC001030683829 816216517 /nfs/dbraw/zinc/21/65/17/816216517.db2.gz ARDNHIVDAAGEMW-UHFFFAOYSA-N 2 2 274.324 0.131 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCF)[C@@H]2C)C1 ZINC001089052859 816226270 /nfs/dbraw/zinc/22/62/70/816226270.db2.gz ATEKAPKEAJJCMH-FRRDWIJNSA-N 2 2 287.379 0.256 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCF)[C@@H]2C)C1 ZINC001089052859 816226274 /nfs/dbraw/zinc/22/62/74/816226274.db2.gz ATEKAPKEAJJCMH-FRRDWIJNSA-N 2 2 287.379 0.256 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CCF)[C@@H]2C)C1 ZINC001089052859 816226278 /nfs/dbraw/zinc/22/62/78/816226278.db2.gz ATEKAPKEAJJCMH-FRRDWIJNSA-N 2 2 287.379 0.256 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CCF)[C@@H]2C)C1 ZINC001089052859 816226280 /nfs/dbraw/zinc/22/62/80/816226280.db2.gz ATEKAPKEAJJCMH-FRRDWIJNSA-N 2 2 287.379 0.256 20 0 CCADLP COCCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001272308367 816294272 /nfs/dbraw/zinc/29/42/72/816294272.db2.gz AGVWPYWLZQQKLP-JSGCOSHPSA-N 2 2 294.399 0.863 20 0 CCADLP C[NH+]1CCC(C(=O)NC2C[NH+](C[C@H]3CCCCO3)C2)CC1 ZINC001030892871 816401216 /nfs/dbraw/zinc/40/12/16/816401216.db2.gz JHFNTXYGDUYNPT-OAHLLOKOSA-N 2 2 295.427 0.698 20 0 CCADLP CC[C@H](C(=O)NC[C@H](CO)Nc1cc[nH+]c(C)n1)[NH+](C)C ZINC001121860086 816464110 /nfs/dbraw/zinc/46/41/10/816464110.db2.gz FHYUVTBIKLYWRU-VXGBXAGGSA-N 2 2 295.387 0.014 20 0 CCADLP CC[C@H](C[NH+]1CC(NC(=O)C[N@@H+]2CCC(C)(C)C2)C1)OC ZINC001030964765 816512905 /nfs/dbraw/zinc/51/29/05/816512905.db2.gz RXVPIVNCPHBMGS-CQSZACIVSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@H](C[NH+]1CC(NC(=O)C[N@H+]2CCC(C)(C)C2)C1)OC ZINC001030964765 816512911 /nfs/dbraw/zinc/51/29/11/816512911.db2.gz RXVPIVNCPHBMGS-CQSZACIVSA-N 2 2 297.443 0.944 20 0 CCADLP CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[C@H]1CC[NH2+]C1 ZINC001122134745 816592843 /nfs/dbraw/zinc/59/28/43/816592843.db2.gz YCVLWBQHFIZWSY-JQWIXIFHSA-N 2 2 250.346 0.799 20 0 CCADLP CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[C@H]1CC[NH2+]C1 ZINC001122134745 816592850 /nfs/dbraw/zinc/59/28/50/816592850.db2.gz YCVLWBQHFIZWSY-JQWIXIFHSA-N 2 2 250.346 0.799 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001031188546 816766313 /nfs/dbraw/zinc/76/63/13/816766313.db2.gz RGVVKPQXVFGVEV-CYBMUJFWSA-N 2 2 297.443 0.942 20 0 CCADLP O=C(NC1C[NH+](C[C@H]2CCCCO2)C1)C12CC[NH+](CC1)C2 ZINC001031263389 816911851 /nfs/dbraw/zinc/91/18/51/816911851.db2.gz MNKVKHMCYVPXKT-CQSZACIVSA-N 2 2 293.411 0.452 20 0 CCADLP O=C(NC1C[NH+](C[C@@H]2CCCCO2)C1)C12CC[NH+](CC1)C2 ZINC001031263388 816912358 /nfs/dbraw/zinc/91/23/58/816912358.db2.gz MNKVKHMCYVPXKT-AWEZNQCLSA-N 2 2 293.411 0.452 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](C[C@@H](C)OC)C1 ZINC001031439460 817056342 /nfs/dbraw/zinc/05/63/42/817056342.db2.gz HNJGAFNPJDBRGM-TZMCWYRMSA-N 2 2 283.416 0.696 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](C[C@@H](C)OC)C1 ZINC001031439460 817056350 /nfs/dbraw/zinc/05/63/50/817056350.db2.gz HNJGAFNPJDBRGM-TZMCWYRMSA-N 2 2 283.416 0.696 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C[C@@H]1[NH3+] ZINC001236346437 817273394 /nfs/dbraw/zinc/27/33/94/817273394.db2.gz YUYHHIKLFQTUAQ-CLPYTZEMSA-N 2 2 250.342 0.631 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C[C@@H]1[NH3+] ZINC001236346437 817273400 /nfs/dbraw/zinc/27/34/00/817273400.db2.gz YUYHHIKLFQTUAQ-CLPYTZEMSA-N 2 2 250.342 0.631 20 0 CCADLP CC[NH+]1CC(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001031784424 817364350 /nfs/dbraw/zinc/36/43/50/817364350.db2.gz RMLUFKIZXFEDHK-GFCCVEGCSA-N 2 2 262.357 0.513 20 0 CCADLP CC[NH+]1CC(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001031920481 817465541 /nfs/dbraw/zinc/46/55/41/817465541.db2.gz HLISEHDFNDQCBW-HNNXBMFYSA-N 2 2 295.427 0.698 20 0 CCADLP CC[NH+]1CC(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001031920481 817465544 /nfs/dbraw/zinc/46/55/44/817465544.db2.gz HLISEHDFNDQCBW-HNNXBMFYSA-N 2 2 295.427 0.698 20 0 CCADLP Cc1nc(NC/C=C/CNC(=O)[C@@H]2CCC[N@H+]2C)cc[nH+]1 ZINC001107116776 817766558 /nfs/dbraw/zinc/76/65/58/817766558.db2.gz MTUHYCSMIGJWPW-OOPCZODUSA-N 2 2 289.383 0.964 20 0 CCADLP Cc1nc(NC/C=C/CNC(=O)[C@@H]2CCC[N@@H+]2C)cc[nH+]1 ZINC001107116776 817766565 /nfs/dbraw/zinc/76/65/65/817766565.db2.gz MTUHYCSMIGJWPW-OOPCZODUSA-N 2 2 289.383 0.964 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@@H]([NH2+]CCF)C12CCC2 ZINC001078782537 818052870 /nfs/dbraw/zinc/05/28/70/818052870.db2.gz BMQDWLXZTCPHHB-CHWSQXEVSA-N 2 2 294.374 0.949 20 0 CCADLP COC(=O)c1nc(NC(=[NH2+])N2CC[NH+](C)CC2)cnc1C ZINC001168735456 818536223 /nfs/dbraw/zinc/53/62/23/818536223.db2.gz PVGCQUOEAUJGST-UHFFFAOYSA-N 2 2 292.343 0.166 20 0 CCADLP COCc1nc(C)cc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001168737364 818563671 /nfs/dbraw/zinc/56/36/71/818563671.db2.gz ZMVDCXCQKJGLNA-UHFFFAOYSA-N 2 2 278.360 0.525 20 0 CCADLP C[C@@H](CC[NH2+]CCn1cccn1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001273092030 818591676 /nfs/dbraw/zinc/59/16/76/818591676.db2.gz ZASWQRYUIMLLMA-LBPRGKRZSA-N 2 2 290.371 0.333 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cccc3c2NC(=O)NC3)CC1 ZINC001168740124 818595862 /nfs/dbraw/zinc/59/58/62/818595862.db2.gz DKLZCAJTCNCGQL-UHFFFAOYSA-N 2 2 288.355 0.916 20 0 CCADLP COc1cncc(C[NH2+]C[C@](C)(O)C[NH+](C)C)c1 ZINC000700075893 818723415 /nfs/dbraw/zinc/72/34/15/818723415.db2.gz VHGBEXIFQWEWJH-ZDUSSCGKSA-N 2 2 253.346 0.492 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@@H+](C[C@H](C)O)C1 ZINC001034502748 819223870 /nfs/dbraw/zinc/22/38/70/819223870.db2.gz IASXULXDIOYXFF-WCQYABFASA-N 2 2 294.399 0.612 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@H+](C[C@H](C)O)C1 ZINC001034502748 819223874 /nfs/dbraw/zinc/22/38/74/819223874.db2.gz IASXULXDIOYXFF-WCQYABFASA-N 2 2 294.399 0.612 20 0 CCADLP Cn1cc(CC[NH2+]CCNC(=O)CCc2c[nH]c[nH+]2)cn1 ZINC001128967675 819236210 /nfs/dbraw/zinc/23/62/10/819236210.db2.gz XEIMCHKGFJJGAJ-UHFFFAOYSA-N 2 2 290.371 0.024 20 0 CCADLP Cn1cc(CC[NH2+]CCNC(=O)CCc2c[nH+]c[nH]2)cn1 ZINC001128967675 819236216 /nfs/dbraw/zinc/23/62/16/819236216.db2.gz XEIMCHKGFJJGAJ-UHFFFAOYSA-N 2 2 290.371 0.024 20 0 CCADLP COC(=O)C1(C)CCC([N@@H+]2CCO[C@@H](C[NH3+])C2)CC1 ZINC001168756307 819292289 /nfs/dbraw/zinc/29/22/89/819292289.db2.gz ZSBCTIFKNOUIJV-LXVYMNJGSA-N 2 2 270.373 0.768 20 0 CCADLP COC(=O)C1(C)CCC([N@H+]2CCO[C@@H](C[NH3+])C2)CC1 ZINC001168756307 819292297 /nfs/dbraw/zinc/29/22/97/819292297.db2.gz ZSBCTIFKNOUIJV-LXVYMNJGSA-N 2 2 270.373 0.768 20 0 CCADLP CCOCC[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128992029 819306528 /nfs/dbraw/zinc/30/65/28/819306528.db2.gz LLZJETHRSZSIIO-UHFFFAOYSA-N 2 2 254.334 0.085 20 0 CCADLP CCOCC[NH2+]CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001128992029 819306534 /nfs/dbraw/zinc/30/65/34/819306534.db2.gz LLZJETHRSZSIIO-UHFFFAOYSA-N 2 2 254.334 0.085 20 0 CCADLP CC[NH+]1CC2(C1)CCN(C(=O)Cc1c[nH+]c[nH]1)CC2 ZINC001035803867 819631012 /nfs/dbraw/zinc/63/10/12/819631012.db2.gz IKAAWBYRAADJDS-UHFFFAOYSA-N 2 2 262.357 0.897 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1[NH2+]CCO ZINC001036015349 819673360 /nfs/dbraw/zinc/67/33/60/819673360.db2.gz NITRNULHMLTVDI-NEPJUHHUSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1[NH2+]CCF ZINC001036239545 819712165 /nfs/dbraw/zinc/71/21/65/819712165.db2.gz LPUOKHWJBPEDDC-WDEREUQCSA-N 2 2 268.336 0.748 20 0 CCADLP CCCc1noc(C[NH+]2CCC(O)(C[NH+](C)C)CC2)n1 ZINC000710562299 819809683 /nfs/dbraw/zinc/80/96/83/819809683.db2.gz OGEPBUBTIUACRH-UHFFFAOYSA-N 2 2 282.388 0.911 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709814851 819811091 /nfs/dbraw/zinc/81/10/91/819811091.db2.gz FXLWUDYQVIDREU-IWSPIJDZSA-N 2 2 267.295 0.532 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000709814851 819811100 /nfs/dbraw/zinc/81/11/00/819811100.db2.gz FXLWUDYQVIDREU-IWSPIJDZSA-N 2 2 267.295 0.532 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000709812616 819811308 /nfs/dbraw/zinc/81/13/08/819811308.db2.gz YVJMXSMRAVBDQD-LBPRGKRZSA-N 2 2 272.389 0.717 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CCO1 ZINC000709920513 819817090 /nfs/dbraw/zinc/81/70/90/819817090.db2.gz PZCXCQIOUDTTRC-HIFRSBDPSA-N 2 2 281.400 0.309 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CCO1 ZINC000709920513 819817099 /nfs/dbraw/zinc/81/70/99/819817099.db2.gz PZCXCQIOUDTTRC-HIFRSBDPSA-N 2 2 281.400 0.309 20 0 CCADLP COC(=O)[C@]12C[N@H+](CCc3c[nH+]cn3C)C[C@H]1COCC2 ZINC000459438713 819941866 /nfs/dbraw/zinc/94/18/66/819941866.db2.gz IBSAPRWBTFPSIV-SWLSCSKDSA-N 2 2 293.367 0.474 20 0 CCADLP COC(=O)[C@]12C[N@@H+](CCc3c[nH+]cn3C)C[C@H]1COCC2 ZINC000459438713 819941870 /nfs/dbraw/zinc/94/18/70/819941870.db2.gz IBSAPRWBTFPSIV-SWLSCSKDSA-N 2 2 293.367 0.474 20 0 CCADLP CC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001082492469 820988874 /nfs/dbraw/zinc/98/88/74/820988874.db2.gz VZWACGUTKFTPBD-GHMZBOCLSA-N 2 2 250.346 0.799 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC)C1 ZINC001082664175 821013645 /nfs/dbraw/zinc/01/36/45/821013645.db2.gz ZFIFJTABJMPEOK-RBSFLKMASA-N 2 2 297.443 0.944 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC)C1 ZINC001082664175 821013659 /nfs/dbraw/zinc/01/36/59/821013659.db2.gz ZFIFJTABJMPEOK-RBSFLKMASA-N 2 2 297.443 0.944 20 0 CCADLP CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C[C@H]1C ZINC001082935386 821066235 /nfs/dbraw/zinc/06/62/35/821066235.db2.gz YRNJFXVFUGOCIJ-YUELXQCFSA-N 2 2 295.427 0.554 20 0 CCADLP CCC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C1 ZINC001083066170 821134038 /nfs/dbraw/zinc/13/40/38/821134038.db2.gz NYLIEQSSZNDIOT-QWHCGFSZSA-N 2 2 292.383 0.664 20 0 CCADLP CCC[N@H+]1C[C@H]2OCCN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C1 ZINC001083066170 821134045 /nfs/dbraw/zinc/13/40/45/821134045.db2.gz NYLIEQSSZNDIOT-QWHCGFSZSA-N 2 2 292.383 0.664 20 0 CCADLP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](CCF)C[C@H]21)C1CC1 ZINC001084406364 821287765 /nfs/dbraw/zinc/28/77/65/821287765.db2.gz NSKSAGANMRCKHV-MGPQQGTHSA-N 2 2 283.391 0.829 20 0 CCADLP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](CCF)C[C@H]21)C1CC1 ZINC001084406364 821287772 /nfs/dbraw/zinc/28/77/72/821287772.db2.gz NSKSAGANMRCKHV-MGPQQGTHSA-N 2 2 283.391 0.829 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1C[C@H]2CC[N@H+](CC3CC3)C[C@H]21 ZINC001084866574 821414776 /nfs/dbraw/zinc/41/47/76/821414776.db2.gz XKXHVMRHWDSBJW-ZIAGYGMSSA-N 2 2 274.368 0.826 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1C[C@H]2CC[N@@H+](CC3CC3)C[C@H]21 ZINC001084866574 821414781 /nfs/dbraw/zinc/41/47/81/821414781.db2.gz XKXHVMRHWDSBJW-ZIAGYGMSSA-N 2 2 274.368 0.826 20 0 CCADLP CN(C[C@H]1CC[N@@H+]1CCCF)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001085531526 821773329 /nfs/dbraw/zinc/77/33/29/821773329.db2.gz VIYPTHVAKWETOO-CHWSQXEVSA-N 2 2 287.379 0.209 20 0 CCADLP CN(C[C@H]1CC[N@H+]1CCCF)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001085531526 821773337 /nfs/dbraw/zinc/77/33/37/821773337.db2.gz VIYPTHVAKWETOO-CHWSQXEVSA-N 2 2 287.379 0.209 20 0 CCADLP CN(C[C@H]1CC[NH+]1CCCF)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001085531526 821773341 /nfs/dbraw/zinc/77/33/41/821773341.db2.gz VIYPTHVAKWETOO-CHWSQXEVSA-N 2 2 287.379 0.209 20 0 CCADLP CN(C[C@H]1CC[NH+]1CCCF)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001085531526 821773345 /nfs/dbraw/zinc/77/33/45/821773345.db2.gz VIYPTHVAKWETOO-CHWSQXEVSA-N 2 2 287.379 0.209 20 0 CCADLP CN(C[C@H]1CC[N@@H+]1CCO)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001085639581 821866618 /nfs/dbraw/zinc/86/66/18/821866618.db2.gz ROIXNKQSISTNRP-CHWSQXEVSA-N 2 2 292.383 0.286 20 0 CCADLP CN(C[C@H]1CC[N@H+]1CCO)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001085639581 821866627 /nfs/dbraw/zinc/86/66/27/821866627.db2.gz ROIXNKQSISTNRP-CHWSQXEVSA-N 2 2 292.383 0.286 20 0 CCADLP O=C(NCCn1cc[nH+]c1)c1cccc2c[nH+]cn21 ZINC001155786806 822248622 /nfs/dbraw/zinc/24/86/22/822248622.db2.gz HPJQQARHAZMGQY-UHFFFAOYSA-N 2 2 255.281 0.961 20 0 CCADLP C[C@H]1CCCCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C1 ZINC001157780175 837430218 /nfs/dbraw/zinc/43/02/18/837430218.db2.gz CQYPZGAZNBGAOX-AAEUAGOBSA-N 2 2 264.373 0.939 20 0 CCADLP Cc1noc([C@H](C)[NH2+]CCNC(=O)[C@@H](C2CC2)[NH+](C)C)n1 ZINC001129455368 837508348 /nfs/dbraw/zinc/50/83/48/837508348.db2.gz VDZLLECDCUCNHA-JOYOIKCWSA-N 2 2 295.387 0.485 20 0 CCADLP Cc1noc(C[NH2+]CCNC(=O)C[N@@H+](C)C2CCC2)n1 ZINC001129526699 837519864 /nfs/dbraw/zinc/51/98/64/837519864.db2.gz OJUZJHJLLIKCAS-UHFFFAOYSA-N 2 2 281.360 0.068 20 0 CCADLP Cc1noc(C[NH2+]CCNC(=O)C[N@H+](C)C2CCC2)n1 ZINC001129526699 837519870 /nfs/dbraw/zinc/51/98/70/837519870.db2.gz OJUZJHJLLIKCAS-UHFFFAOYSA-N 2 2 281.360 0.068 20 0 CCADLP CO[C@H](C)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129891339 837575889 /nfs/dbraw/zinc/57/58/89/837575889.db2.gz IMQQFQFJMVXRTD-GMTAPVOTSA-N 2 2 266.345 0.254 20 0 CCADLP CO[C@H](C)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129891339 837575902 /nfs/dbraw/zinc/57/59/02/837575902.db2.gz IMQQFQFJMVXRTD-GMTAPVOTSA-N 2 2 266.345 0.254 20 0 CCADLP C[C@H](CCCC[NH2+]CC(N)=O)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170471370 837612479 /nfs/dbraw/zinc/61/24/79/837612479.db2.gz BKUVLKWXRQZVAW-LLVKDONJSA-N 2 2 295.387 0.092 20 0 CCADLP CC(C)C[C@@H](C(=O)NCC[NH2+]CCO)n1cc[nH+]c1 ZINC001130006410 837613375 /nfs/dbraw/zinc/61/33/75/837613375.db2.gz GGYQNOMVORMRMI-LBPRGKRZSA-N 2 2 268.361 0.168 20 0 CCADLP COC(=O)c1cc(NC(=[NH2+])N2CC[NH+](C)CC2)ncc1N ZINC001157914301 837690168 /nfs/dbraw/zinc/69/01/68/837690168.db2.gz APBUKDHFMVUKBW-UHFFFAOYSA-N 2 2 292.343 0.044 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCC[NH2+]C[C@@H](C)O)c[nH+]1 ZINC001130165279 837711850 /nfs/dbraw/zinc/71/18/50/837711850.db2.gz WYVBUVOGZMNNHM-LLVKDONJSA-N 2 2 268.361 0.013 20 0 CCADLP CC[C@H](C(=O)NCC[NH2+][C@@H](C)c1nc(C)no1)[NH+](C)C ZINC001130201053 837732291 /nfs/dbraw/zinc/73/22/91/837732291.db2.gz TWDWMSSWDUJUIM-GXSJLCMTSA-N 2 2 283.376 0.485 20 0 CCADLP Cn1ccc(C[NH2+]CCNC(=O)c2cc3c[nH+]ccc3[nH]2)n1 ZINC001130266175 837744949 /nfs/dbraw/zinc/74/49/49/837744949.db2.gz NVGDLGWIROTNOK-UHFFFAOYSA-N 2 2 298.350 0.816 20 0 CCADLP CCOCC[NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001130268781 837745497 /nfs/dbraw/zinc/74/54/97/837745497.db2.gz IQAUQWUPZJGRNE-UHFFFAOYSA-N 2 2 276.340 0.919 20 0 CCADLP COCCCC[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130407022 837787106 /nfs/dbraw/zinc/78/71/06/837787106.db2.gz JTCXRUZJSOPPGJ-CYBMUJFWSA-N 2 2 294.399 0.578 20 0 CCADLP COCC[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001130490903 837811273 /nfs/dbraw/zinc/81/12/73/837811273.db2.gz IRIZEHCBDZXTHY-LLVKDONJSA-N 2 2 280.372 0.175 20 0 CCADLP COCC[NH2+]CCNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001130490903 837811282 /nfs/dbraw/zinc/81/12/82/837811282.db2.gz IRIZEHCBDZXTHY-LLVKDONJSA-N 2 2 280.372 0.175 20 0 CCADLP CCC[NH2+]CCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001130497068 837830571 /nfs/dbraw/zinc/83/05/71/837830571.db2.gz XFEVTCBHZLUXIQ-NSHDSACASA-N 2 2 264.373 0.939 20 0 CCADLP CCC[NH2+]CCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001130497068 837830586 /nfs/dbraw/zinc/83/05/86/837830586.db2.gz XFEVTCBHZLUXIQ-NSHDSACASA-N 2 2 264.373 0.939 20 0 CCADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001183774032 844086799 /nfs/dbraw/zinc/08/67/99/844086799.db2.gz XESMSIZZDCZSFD-CHWSQXEVSA-N 2 2 292.383 0.018 20 0 CCADLP COc1cc2[nH+]ccc(-n3nnnc3C[NH3+])c2cc1OC ZINC001168920786 836054684 /nfs/dbraw/zinc/05/46/84/836054684.db2.gz ZKZOBDPDQJQLNV-UHFFFAOYSA-N 2 2 286.295 0.686 20 0 CCADLP CCc1ncnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1F ZINC001169067343 836122664 /nfs/dbraw/zinc/12/26/64/836122664.db2.gz QMIUHULAOMAFGC-MRVPVSSYSA-N 2 2 265.292 0.226 20 0 CCADLP Nc1ccc2ccc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)nc2n1 ZINC001169071371 836125289 /nfs/dbraw/zinc/12/52/89/836125289.db2.gz AHENEBRAOXYCLT-SNVBAGLBSA-N 2 2 284.323 0.260 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2cnccc2n1 ZINC001169073744 836127007 /nfs/dbraw/zinc/12/70/07/836127007.db2.gz BNIDBPMADZZFHL-LLVKDONJSA-N 2 2 269.308 0.678 20 0 CCADLP COc1nc(Cl)ncc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169074527 836127508 /nfs/dbraw/zinc/12/75/08/836127508.db2.gz QKRXZJPQJSMJHP-SSDOTTSWSA-N 2 2 283.719 0.186 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc2ccccc2[n+]([O-])c1 ZINC001169075511 836128085 /nfs/dbraw/zinc/12/80/85/836128085.db2.gz SCZNUYSQDFQGRN-GFCCVEGCSA-N 2 2 284.319 0.521 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cncnc1C1CC1 ZINC001169075579 836128293 /nfs/dbraw/zinc/12/82/93/836128293.db2.gz UBKHEBCJAOXODX-SNVBAGLBSA-N 2 2 259.313 0.402 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cccc(N2CCC2=O)c1 ZINC001169075263 836129152 /nfs/dbraw/zinc/12/91/52/836129152.db2.gz PXVSIGNUSJUUQB-LLVKDONJSA-N 2 2 286.335 0.471 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCS(C)(=O)=O)C2 ZINC001169089898 836134757 /nfs/dbraw/zinc/13/47/57/836134757.db2.gz GLMLLZHXYVIMSP-ZSBIGDGJSA-N 2 2 260.403 0.636 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCCS(C)(=O)=O)C2 ZINC001169089898 836134764 /nfs/dbraw/zinc/13/47/64/836134764.db2.gz GLMLLZHXYVIMSP-ZSBIGDGJSA-N 2 2 260.403 0.636 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Nc2cccc(C[NH+](C)C)n2)C[NH2+]1 ZINC001169129504 836145467 /nfs/dbraw/zinc/14/54/67/836145467.db2.gz KAMRKFQYINVGHN-NEPJUHHUSA-N 2 2 278.356 0.459 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Nc2cccc3c2CC[C@@H]3[NH3+])C[NH2+]1 ZINC001169136707 836148463 /nfs/dbraw/zinc/14/84/63/836148463.db2.gz POMFKVBLJCQHBA-LQJRIPTKSA-N 2 2 275.352 0.948 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN3C(=O)CC[C@@H]3C1)C2 ZINC001169144030 836153651 /nfs/dbraw/zinc/15/36/51/836153651.db2.gz HYOZEOVRWZHRDK-XJFOESAGSA-N 2 2 263.385 0.918 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCN3C(=O)CC[C@@H]3C1)C2 ZINC001169144030 836153653 /nfs/dbraw/zinc/15/36/53/836153653.db2.gz HYOZEOVRWZHRDK-XJFOESAGSA-N 2 2 263.385 0.918 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCN3C(=O)CC[C@@H]3C1)C2 ZINC001169144030 836153655 /nfs/dbraw/zinc/15/36/55/836153655.db2.gz HYOZEOVRWZHRDK-XJFOESAGSA-N 2 2 263.385 0.918 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCN3C(=O)CC[C@@H]3C1)C2 ZINC001169144030 836153657 /nfs/dbraw/zinc/15/36/57/836153657.db2.gz HYOZEOVRWZHRDK-XJFOESAGSA-N 2 2 263.385 0.918 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]CCC[C@H]1CCOC1 ZINC001169211875 836159732 /nfs/dbraw/zinc/15/97/32/836159732.db2.gz LQGKSFDTQJFTQQ-ZDUSSCGKSA-N 2 2 294.399 0.865 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCn2cc[nH+]c2)CO1 ZINC001169308698 836208928 /nfs/dbraw/zinc/20/89/28/836208928.db2.gz XPOHZVAABDIODT-OLZOCXBDSA-N 2 2 281.356 0.974 20 0 CCADLP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@]1(C[NH3+])CN2CCC1CC2 ZINC001169449890 836280419 /nfs/dbraw/zinc/28/04/19/836280419.db2.gz WXTUBMRQXKOSQN-CJNGLKHVSA-N 2 2 296.459 0.646 20 0 CCADLP CC(=O)N1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCOCC3)C2)C1 ZINC001169512428 836317825 /nfs/dbraw/zinc/31/78/25/836317825.db2.gz GBZDXIMFOQHAHF-KGLIPLIRSA-N 2 2 281.400 0.450 20 0 CCADLP CC(=O)N1CC[C@@H]([NH2+][C@H]2CC[N@H+](C3CCOCC3)C2)C1 ZINC001169512428 836317835 /nfs/dbraw/zinc/31/78/35/836317835.db2.gz GBZDXIMFOQHAHF-KGLIPLIRSA-N 2 2 281.400 0.450 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO ZINC001109580899 836699674 /nfs/dbraw/zinc/69/96/74/836699674.db2.gz AATUGUXHIUIHLB-RDBSUJKOSA-N 2 2 292.383 0.377 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO ZINC001109580899 836699676 /nfs/dbraw/zinc/69/96/76/836699676.db2.gz AATUGUXHIUIHLB-RDBSUJKOSA-N 2 2 292.383 0.377 20 0 CCADLP Cc1[nH+]ccn1-c1cc(NC[C@@H]2COCC[NH2+]2)ncn1 ZINC001170036302 836755730 /nfs/dbraw/zinc/75/57/30/836755730.db2.gz XGDKODWVSUUTGA-LLVKDONJSA-N 2 2 274.328 0.371 20 0 CCADLP CC(C)CCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001112741893 836889537 /nfs/dbraw/zinc/88/95/37/836889537.db2.gz FGSBLCCODATONZ-OAHLLOKOSA-N 2 2 297.443 0.897 20 0 CCADLP CC(C)CCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001112741893 836889549 /nfs/dbraw/zinc/88/95/49/836889549.db2.gz FGSBLCCODATONZ-OAHLLOKOSA-N 2 2 297.443 0.897 20 0 CCADLP COCCCC[NH+]1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001113109254 837026006 /nfs/dbraw/zinc/02/60/06/837026006.db2.gz YDGAYNMFGCHIOQ-UHFFFAOYSA-N 2 2 294.399 0.762 20 0 CCADLP CC[NH+](CC)[C@@H](C(=O)N1CC[NH+](CCO)CC1)C(C)C ZINC001113441758 837116872 /nfs/dbraw/zinc/11/68/72/837116872.db2.gz RMYJPVSHTDSNCJ-CQSZACIVSA-N 2 2 285.432 0.489 20 0 CCADLP COCCCCC[NH+]1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001113725840 837205449 /nfs/dbraw/zinc/20/54/49/837205449.db2.gz INIOTBGTSYKVES-UHFFFAOYSA-N 2 2 294.399 0.844 20 0 CCADLP CC(C)OCCC[NH+]1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001113725732 837205804 /nfs/dbraw/zinc/20/58/04/837205804.db2.gz CCFNEFNDGZQOPQ-UHFFFAOYSA-N 2 2 294.399 0.842 20 0 CCADLP [NH3+]C[C@]1(F)CCCN(C(=O)[C@@H](CO)n2cc[nH+]c2)CC1 ZINC001157728748 837325758 /nfs/dbraw/zinc/32/57/58/837325758.db2.gz AFYUOFRXOIPOOG-YPMHNXCESA-N 2 2 284.335 0.096 20 0 CCADLP [NH3+]CCOCCOCCNc1cc2cc[nH]c2c[nH+]1 ZINC001170505367 837863550 /nfs/dbraw/zinc/86/35/50/837863550.db2.gz MVWOMMVZTNXQPU-UHFFFAOYSA-N 2 2 264.329 0.967 20 0 CCADLP O=C(NCC[NH2+]Cc1ccon1)c1ccc2c[nH+]cn2c1 ZINC001131370787 838068712 /nfs/dbraw/zinc/06/87/12/838068712.db2.gz UXBCKLULXCLHBA-UHFFFAOYSA-N 2 2 285.307 0.842 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)Cn2c[nH+]cc2C)[nH]1 ZINC001131385787 838070618 /nfs/dbraw/zinc/07/06/18/838070618.db2.gz WTJXBABKCTXNGV-JTQLQIEISA-N 2 2 291.359 0.085 20 0 CCADLP C[C@@H](Nc1ccc2c([nH+]1)CCOC2)[C@@H]1C[NH2+]CCO1 ZINC001170561897 838103659 /nfs/dbraw/zinc/10/36/59/838103659.db2.gz GVYIKWDCNDZOFD-MFKMUULPSA-N 2 2 263.341 0.943 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH+]2CC(N3CC[NH+](C)CC3)C2)C1 ZINC001170562895 838115484 /nfs/dbraw/zinc/11/54/84/838115484.db2.gz FPEFBIZPOUZRCF-OLZOCXBDSA-N 2 2 281.400 0.260 20 0 CCADLP C[C@@H](Nc1ncnc2c1C[N@H+](C)CC2)[C@@H]1C[NH2+]CCO1 ZINC001170572590 838150960 /nfs/dbraw/zinc/15/09/60/838150960.db2.gz QYPATYLNQDOXJK-MFKMUULPSA-N 2 2 277.372 0.253 20 0 CCADLP C[C@@H](Nc1ncnc2c1C[N@@H+](C)CC2)[C@@H]1C[NH2+]CCO1 ZINC001170572590 838150963 /nfs/dbraw/zinc/15/09/63/838150963.db2.gz QYPATYLNQDOXJK-MFKMUULPSA-N 2 2 277.372 0.253 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@@H+]1CCCO ZINC001132026100 838303362 /nfs/dbraw/zinc/30/33/62/838303362.db2.gz ZIUSYWZCMGHNJH-STQMWFEESA-N 2 2 294.399 0.694 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@H+]1CCCO ZINC001132026100 838303371 /nfs/dbraw/zinc/30/33/71/838303371.db2.gz ZIUSYWZCMGHNJH-STQMWFEESA-N 2 2 294.399 0.694 20 0 CCADLP CCn1ccc(C[NH2+]CCNC(=O)CCn2cc[nH+]c2)n1 ZINC001132082996 838314598 /nfs/dbraw/zinc/31/45/98/838314598.db2.gz ZSOXASLFBGFUGJ-UHFFFAOYSA-N 2 2 290.371 0.396 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[NH2+]Cc2cnon2)CC[N@@H+]1C ZINC001132886048 838512014 /nfs/dbraw/zinc/51/20/14/838512014.db2.gz AUSKWNKNNHVBCB-QWRGUYRKSA-N 2 2 281.360 0.006 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[NH2+]Cc2cnon2)CC[N@H+]1C ZINC001132886048 838512023 /nfs/dbraw/zinc/51/20/23/838512023.db2.gz AUSKWNKNNHVBCB-QWRGUYRKSA-N 2 2 281.360 0.006 20 0 CCADLP C[NH+](C)CC1(C(=O)NCC[NH2+]Cc2csnn2)CC1 ZINC001132992888 838532732 /nfs/dbraw/zinc/53/27/32/838532732.db2.gz ILOBKKMAAUYJNV-UHFFFAOYSA-N 2 2 283.401 0.086 20 0 CCADLP C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C[NH2+]CCF ZINC001133134173 838559561 /nfs/dbraw/zinc/55/95/61/838559561.db2.gz AOTFWZQAVODQCL-NEPJUHHUSA-N 2 2 282.363 0.996 20 0 CCADLP Cc1nonc1C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133415910 838622007 /nfs/dbraw/zinc/62/20/07/838622007.db2.gz URAJQGISOCFTPM-GFCCVEGCSA-N 2 2 283.376 0.170 20 0 CCADLP COC[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001133668391 838692309 /nfs/dbraw/zinc/69/23/09/838692309.db2.gz WGPLCJWWRLQAJE-QWRGUYRKSA-N 2 2 280.372 0.570 20 0 CCADLP COC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001133668389 838692389 /nfs/dbraw/zinc/69/23/89/838692389.db2.gz WGPLCJWWRLQAJE-GHMZBOCLSA-N 2 2 280.372 0.570 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)o1 ZINC001133865284 838756895 /nfs/dbraw/zinc/75/68/95/838756895.db2.gz BTSFPYWWUHRGGT-PWSUYJOCSA-N 2 2 280.372 0.387 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)o1 ZINC001133865284 838756901 /nfs/dbraw/zinc/75/69/01/838756901.db2.gz BTSFPYWWUHRGGT-PWSUYJOCSA-N 2 2 280.372 0.387 20 0 CCADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C[NH2+]CCCO ZINC001185212850 844364472 /nfs/dbraw/zinc/36/44/72/844364472.db2.gz ANRJDJGAVYVULH-QWHCGFSZSA-N 2 2 294.399 0.409 20 0 CCADLP Cc1nsc(C)c1C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134407138 838963217 /nfs/dbraw/zinc/96/32/17/838963217.db2.gz SRGDSLYZFBKZJY-UHFFFAOYSA-N 2 2 293.396 0.932 20 0 CCADLP Cc1ccc(C[NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)c(C)n1 ZINC001134406976 838963349 /nfs/dbraw/zinc/96/33/49/838963349.db2.gz KVCDWZFTQLMRFP-UHFFFAOYSA-N 2 2 287.367 0.870 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]C[C@@H]1C[C@@]12CCOC2 ZINC001134396920 838966244 /nfs/dbraw/zinc/96/62/44/838966244.db2.gz IGOOSYODMAKKOJ-SMDDNHRTSA-N 2 2 278.356 0.085 20 0 CCADLP COCCOCC[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001134498557 838995265 /nfs/dbraw/zinc/99/52/65/838995265.db2.gz JIRGCVWEMCSUTC-CYBMUJFWSA-N 2 2 298.387 0.203 20 0 CCADLP CCC[NH2+]CCNC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001134619545 839027357 /nfs/dbraw/zinc/02/73/57/839027357.db2.gz WMUJMQDBAMZYHW-UHFFFAOYSA-N 2 2 283.416 0.747 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1)c1csnn1 ZINC001185415730 844417045 /nfs/dbraw/zinc/41/70/45/844417045.db2.gz GNFBLULARDACQV-GHMZBOCLSA-N 2 2 297.428 0.741 20 0 CCADLP CC[C@@]([NH3+])(CO)Nc1nc(Cl)nc2c1C[NH2+]C2 ZINC001170855016 839424558 /nfs/dbraw/zinc/42/45/58/839424558.db2.gz NGPRYIHXIOSRTP-JTQLQIEISA-N 2 2 257.725 0.202 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CCOC1CCC1 ZINC001135757786 839390679 /nfs/dbraw/zinc/39/06/79/839390679.db2.gz PMIRVXXMEDGHLM-UHFFFAOYSA-N 2 2 266.345 0.227 20 0 CCADLP C[C@@H]1CC[C@H](C[NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)O1 ZINC001135757609 839390864 /nfs/dbraw/zinc/39/08/64/839390864.db2.gz HTUAWMJMGBIBAV-GHMZBOCLSA-N 2 2 266.345 0.226 20 0 CCADLP CC(C)OCCC[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135757380 839391981 /nfs/dbraw/zinc/39/19/81/839391981.db2.gz AFBQMOGKBNQWHN-UHFFFAOYSA-N 2 2 268.361 0.473 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C[NH2+]CCO)[C@@H](C)C1 ZINC001185571452 844432683 /nfs/dbraw/zinc/43/26/83/844432683.db2.gz COVTWUXBKBXXIU-WCQYABFASA-N 2 2 294.399 0.327 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C[NH2+]CCO ZINC001279181779 839412836 /nfs/dbraw/zinc/41/28/36/839412836.db2.gz GPMYOFFTHNZSSR-OLZOCXBDSA-N 2 2 294.399 0.029 20 0 CCADLP C[C@H](C[C@H](C)[NH2+]CCO)NC(=O)CCc1c[nH+]cn1C ZINC001136054076 839508909 /nfs/dbraw/zinc/50/89/09/839508909.db2.gz GDTGLGJDGYFYHO-NWDGAFQWSA-N 2 2 282.388 0.218 20 0 CCADLP C[C@@H]([NH3+])CCNc1[nH+]cnc2[nH]cc([S@](C)=O)c21 ZINC001170887371 839528948 /nfs/dbraw/zinc/52/89/48/839528948.db2.gz VTCJAELEBKAZBV-MDTSDYNXSA-N 2 2 267.358 0.796 20 0 CCADLP C[C@@H]([NH3+])CCNc1cc(N2CCC(C(N)=O)CC2)nc[nH+]1 ZINC001170889183 839533375 /nfs/dbraw/zinc/53/33/75/839533375.db2.gz LJJICWSWJJDQOB-SNVBAGLBSA-N 2 2 292.387 0.328 20 0 CCADLP C[C@@H]([NH3+])CCNc1cc(N2CCC(C(N)=O)CC2)[nH+]cn1 ZINC001170889183 839533386 /nfs/dbraw/zinc/53/33/86/839533386.db2.gz LJJICWSWJJDQOB-SNVBAGLBSA-N 2 2 292.387 0.328 20 0 CCADLP [NH3+]CCC[C@H]([NH3+])Nc1cc(N2CCCC2)[nH+]cn1 ZINC001170897667 839543077 /nfs/dbraw/zinc/54/30/77/839543077.db2.gz IOLUWKZKGTXJFK-SNVBAGLBSA-N 3 2 250.350 0.512 20 0 CCADLP CC(C)(C)[C@@H](O)C[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001245986362 839579666 /nfs/dbraw/zinc/57/96/66/839579666.db2.gz PCNYAEDLARMQQD-STQMWFEESA-N 3 2 269.433 0.857 20 0 CCADLP [NH3+]CCC[C@H]([NH3+])Nc1cc[nH+]c(N2CCCCC2)n1 ZINC001159787558 839580349 /nfs/dbraw/zinc/58/03/49/839580349.db2.gz XXPAEGHELMYSPN-LLVKDONJSA-N 3 2 264.377 0.903 20 0 CCADLP [NH3+]CCC[C@H]([NH3+])Nc1cccc(N2CCOCC2)[nH+]1 ZINC001159786794 839581226 /nfs/dbraw/zinc/58/12/26/839581226.db2.gz KIMKQRNBCMNTKQ-LLVKDONJSA-N 3 2 265.361 0.354 20 0 CCADLP CC(C)(C)OC(=O)C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246152967 839649315 /nfs/dbraw/zinc/64/93/15/839649315.db2.gz ORTGMYIQBGOKJH-JTQLQIEISA-N 2 2 255.362 0.012 20 0 CCADLP CC[C@@H]([NH3+])CN[C@@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246311471 839783870 /nfs/dbraw/zinc/78/38/70/839783870.db2.gz DGCGERPOGPAONO-VWYCJHECSA-N 2 2 257.378 0.386 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1N[C@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246324183 839793546 /nfs/dbraw/zinc/79/35/46/839793546.db2.gz DWNSWJNTPYQOBS-RNJOBUHISA-N 2 2 283.416 0.646 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H](N[C@@H]2C[NH2+]CCC2(C)C)C[NH2+]1 ZINC001246333443 839800441 /nfs/dbraw/zinc/80/04/41/839800441.db2.gz VDTCTDLJQNKBNU-YWPYICTPSA-N 2 2 283.416 0.648 20 0 CCADLP C[NH+]1CCC(CC(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)CC1 ZINC001143360572 839863233 /nfs/dbraw/zinc/86/32/33/839863233.db2.gz YLNLCCURFTUAKU-CYBMUJFWSA-N 2 2 280.372 0.161 20 0 CCADLP C[NH+]1CCC(CC(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)CC1 ZINC001143360572 839863237 /nfs/dbraw/zinc/86/32/37/839863237.db2.gz YLNLCCURFTUAKU-CYBMUJFWSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@@H](CCCC[NH2+]CCO)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171151649 839980276 /nfs/dbraw/zinc/98/02/76/839980276.db2.gz JEIBPMDEJBGYIV-LBPRGKRZSA-N 2 2 282.388 0.599 20 0 CCADLP C[C@@H](CCCC[NH2+]CCO)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171151649 839980281 /nfs/dbraw/zinc/98/02/81/839980281.db2.gz JEIBPMDEJBGYIV-LBPRGKRZSA-N 2 2 282.388 0.599 20 0 CCADLP Cc1cc(C[NH2+]CCCNC(=O)Cc2c[nH+]cn2C)no1 ZINC001171229204 840159968 /nfs/dbraw/zinc/15/99/68/840159968.db2.gz WQSMBSCBMVYCMZ-UHFFFAOYSA-N 2 2 291.355 0.555 20 0 CCADLP C[C@H](O)CCC[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171238482 840179028 /nfs/dbraw/zinc/17/90/28/840179028.db2.gz PRDPDUYRSFVKEX-LBPRGKRZSA-N 2 2 282.388 0.220 20 0 CCADLP Cc1ncc(C[NH2+]CCCNC(=O)Cc2c[nH+]cn2C)o1 ZINC001171244971 840188482 /nfs/dbraw/zinc/18/84/82/840188482.db2.gz WTAOYOPHASZFSW-UHFFFAOYSA-N 2 2 291.355 0.555 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001186221919 844521579 /nfs/dbraw/zinc/52/15/79/844521579.db2.gz RIKOYGIECZYMER-NWDGAFQWSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001186221919 844521584 /nfs/dbraw/zinc/52/15/84/844521584.db2.gz RIKOYGIECZYMER-NWDGAFQWSA-N 2 2 280.372 0.161 20 0 CCADLP O=C(NCC[NH2+]CCF)c1cc(-n2cc[nH+]c2)ccn1 ZINC001146509748 840315271 /nfs/dbraw/zinc/31/52/71/840315271.db2.gz TYWMCRHBGCUHAM-UHFFFAOYSA-N 2 2 277.303 0.556 20 0 CCADLP C[N@@H+]1CCC[C@H](C(=O)NCCOc2cc[nH+]cc2)C1 ZINC001186370566 844539644 /nfs/dbraw/zinc/53/96/44/844539644.db2.gz WKWRSLBYNYCUBZ-LBPRGKRZSA-N 2 2 263.341 0.918 20 0 CCADLP C[N@H+]1CCC[C@H](C(=O)NCCOc2cc[nH+]cc2)C1 ZINC001186370566 844539658 /nfs/dbraw/zinc/53/96/58/844539658.db2.gz WKWRSLBYNYCUBZ-LBPRGKRZSA-N 2 2 263.341 0.918 20 0 CCADLP Cc1nocc1C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147871874 840709036 /nfs/dbraw/zinc/70/90/36/840709036.db2.gz PXMZSVFTFPTAHX-UHFFFAOYSA-N 2 2 277.328 0.165 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]C[C@@H]1C[C@@]12CCOC2 ZINC001147877150 840710976 /nfs/dbraw/zinc/71/09/76/840710976.db2.gz DHTDNBJDTDPBHN-SWLSCSKDSA-N 2 2 292.383 0.095 20 0 CCADLP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]Cc2csnn2)C1 ZINC001147878407 840714030 /nfs/dbraw/zinc/71/40/30/840714030.db2.gz YDDLKCQJYIOJHR-SNVBAGLBSA-N 2 2 283.401 0.086 20 0 CCADLP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+]Cc2csnn2)C1 ZINC001147878407 840714041 /nfs/dbraw/zinc/71/40/41/840714041.db2.gz YDDLKCQJYIOJHR-SNVBAGLBSA-N 2 2 283.401 0.086 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]Cc1ccccn1 ZINC001147900756 840718723 /nfs/dbraw/zinc/71/87/23/840718723.db2.gz VMEKXSRMLRDOME-UHFFFAOYSA-N 2 2 273.340 0.264 20 0 CCADLP Cc1csc(C[NH2+]CCNC(=O)Cc2c[nH+]cn2C)n1 ZINC001147900695 840718897 /nfs/dbraw/zinc/71/88/97/840718897.db2.gz UMHIKIXEHFNCAW-UHFFFAOYSA-N 2 2 293.396 0.634 20 0 CCADLP CN1CCOc2c1cn[nH+]c2NC[C@H]1CCCC[NH2+]1 ZINC001171327321 840772383 /nfs/dbraw/zinc/77/23/83/840772383.db2.gz DZYOPAMGWZJIOY-SNVBAGLBSA-N 2 2 263.345 0.859 20 0 CCADLP Cc1noc(C[NH2+]CCNC(=O)CCCC[NH+](C)C)n1 ZINC001148352529 840788337 /nfs/dbraw/zinc/78/83/37/840788337.db2.gz KZYGMMFLCLAKDR-UHFFFAOYSA-N 2 2 283.376 0.316 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]CC1CC1 ZINC001149557834 840955094 /nfs/dbraw/zinc/95/50/94/840955094.db2.gz CDLXLCATBHPGEI-UHFFFAOYSA-N 2 2 250.346 0.469 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1OCC ZINC001087098686 840959084 /nfs/dbraw/zinc/95/90/84/840959084.db2.gz HUHWKBMYRGYHIO-TZMCWYRMSA-N 2 2 294.399 0.734 20 0 CCADLP CC[NH+](CC)CCC[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716106066 841436090 /nfs/dbraw/zinc/43/60/90/841436090.db2.gz XOWUHBKLVOMITQ-UHFFFAOYSA-N 2 2 262.419 0.884 20 0 CCADLP C[NH+](C)CCC[N@H+](CCC[NH3+])[C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172009551 841789916 /nfs/dbraw/zinc/78/99/16/841789916.db2.gz PHZZNWDYFZXZSK-OAHLLOKOSA-N 3 2 296.459 0.742 20 0 CCADLP C[NH+](C)CCC[N@@H+](CCC[NH3+])[C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172009551 841789923 /nfs/dbraw/zinc/78/99/23/841789923.db2.gz PHZZNWDYFZXZSK-OAHLLOKOSA-N 3 2 296.459 0.742 20 0 CCADLP CCN1CC[C@@H]([N@H+](CCC[NH3+])CCC[NH+](C)C)CC1=O ZINC001172033666 841813091 /nfs/dbraw/zinc/81/30/91/841813091.db2.gz QGFUVABUSFOLFI-CQSZACIVSA-N 3 2 284.448 0.600 20 0 CCADLP CCN1CC[C@@H]([N@@H+](CCC[NH3+])CCC[NH+](C)C)CC1=O ZINC001172033666 841813106 /nfs/dbraw/zinc/81/31/06/841813106.db2.gz QGFUVABUSFOLFI-CQSZACIVSA-N 3 2 284.448 0.600 20 0 CCADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(CC[NH3+])CC1)C2 ZINC001172104212 841848003 /nfs/dbraw/zinc/84/80/03/841848003.db2.gz DPLYUEWWWYLVQA-FICVDOATSA-N 3 2 266.433 0.578 20 0 CCADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN(CC[NH3+])CC1)C2 ZINC001172104212 841848013 /nfs/dbraw/zinc/84/80/13/841848013.db2.gz DPLYUEWWWYLVQA-FICVDOATSA-N 3 2 266.433 0.578 20 0 CCADLP COCCC[NH+]1CCC(NCC2C[NH+](C)C2)CC1 ZINC001172246813 841908815 /nfs/dbraw/zinc/90/88/15/841908815.db2.gz VAXYSUWPHPFWHE-UHFFFAOYSA-N 2 2 255.406 0.639 20 0 CCADLP CC1(C)C[C@@H](n2c[nH+]cc2CCNC(=O)CC[NH3+])CO1 ZINC001172278510 841915713 /nfs/dbraw/zinc/91/57/13/841915713.db2.gz VEPLJDUVLVNKQB-GFCCVEGCSA-N 2 2 280.372 0.631 20 0 CCADLP C[NH+]1CC(C[NH2+]C2CCN(CC(=O)OC(C)(C)C)CC2)C1 ZINC001172887114 841981648 /nfs/dbraw/zinc/98/16/48/841981648.db2.gz JOKOVOGBOJKSEI-UHFFFAOYSA-N 2 2 297.443 0.944 20 0 CCADLP CO[C@@H]1CCC[C@@H]([NH2+]C2(CO)CC[NH+](C)CC2)C1 ZINC001172934053 841986293 /nfs/dbraw/zinc/98/62/93/841986293.db2.gz PDRJEIYXRRFNSM-CHWSQXEVSA-N 2 2 256.390 0.990 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C[C@@H]1C(=O)OC ZINC001173566550 842103771 /nfs/dbraw/zinc/10/37/71/842103771.db2.gz MYJTWVXYWAWMNR-LPWJVIDDSA-N 2 2 298.383 0.411 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)C[C@@H]1C(=O)OC ZINC001173566550 842103783 /nfs/dbraw/zinc/10/37/83/842103783.db2.gz MYJTWVXYWAWMNR-LPWJVIDDSA-N 2 2 298.383 0.411 20 0 CCADLP c1nnn([C@H]2CCC[C@H]([NH2+]CC[NH+]3CCCC3)C2)n1 ZINC001173736895 842136437 /nfs/dbraw/zinc/13/64/37/842136437.db2.gz JQWWEYQALAHWHJ-STQMWFEESA-N 2 2 264.377 0.842 20 0 CCADLP [NH3+]CCc1[nH+]ccn1[C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173732341 842163235 /nfs/dbraw/zinc/16/32/35/842163235.db2.gz FNMLMWCYSWKBOQ-GHMZBOCLSA-N 2 2 261.333 0.727 20 0 CCADLP Cc1ncc(C[NH2+]CCCNC(=O)Cc2[nH]c[nH+]c2C)o1 ZINC001174691448 842200257 /nfs/dbraw/zinc/20/02/57/842200257.db2.gz MBQUBGPPFWSCPV-UHFFFAOYSA-N 2 2 291.355 0.853 20 0 CCADLP COCC[NH2+]CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001174683954 842200482 /nfs/dbraw/zinc/20/04/82/842200482.db2.gz XFJRNDWHZHAEJR-UHFFFAOYSA-N 2 2 254.334 0.003 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCCC[NH2+]CCF ZINC001175001989 842223611 /nfs/dbraw/zinc/22/36/11/842223611.db2.gz AMNMIOOJWYITQG-UHFFFAOYSA-N 2 2 256.325 0.418 20 0 CCADLP CNC(=O)N[C@H]1CCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC001176121213 842330118 /nfs/dbraw/zinc/33/01/18/842330118.db2.gz FRGMRDRVLHPRNP-NSHDSACASA-N 2 2 265.361 0.356 20 0 CCADLP CNC(=O)N[C@H]1CCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC001176121213 842330131 /nfs/dbraw/zinc/33/01/31/842330131.db2.gz FRGMRDRVLHPRNP-NSHDSACASA-N 2 2 265.361 0.356 20 0 CCADLP CCN1C[C@H](C[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)OC1=O ZINC001176640116 842394189 /nfs/dbraw/zinc/39/41/89/842394189.db2.gz LKMSLMGJMWRWSN-DYEKYZERSA-N 2 2 267.373 0.711 20 0 CCADLP CCN1C[C@H](C[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)OC1=O ZINC001176640116 842394203 /nfs/dbraw/zinc/39/42/03/842394203.db2.gz LKMSLMGJMWRWSN-DYEKYZERSA-N 2 2 267.373 0.711 20 0 CCADLP CCN1C[C@H](C[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)OC1=O ZINC001176640116 842394217 /nfs/dbraw/zinc/39/42/17/842394217.db2.gz LKMSLMGJMWRWSN-DYEKYZERSA-N 2 2 267.373 0.711 20 0 CCADLP CCN1C[C@H](C[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)OC1=O ZINC001176640116 842394228 /nfs/dbraw/zinc/39/42/28/842394228.db2.gz LKMSLMGJMWRWSN-DYEKYZERSA-N 2 2 267.373 0.711 20 0 CCADLP N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)Cc1c[nH+]c[nH]1 ZINC001176831837 842419595 /nfs/dbraw/zinc/41/95/95/842419595.db2.gz ZZAUOJPAHIVCLS-JTQLQIEISA-N 2 2 272.312 0.393 20 0 CCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC001176877405 842437746 /nfs/dbraw/zinc/43/77/46/842437746.db2.gz CYABMVBESPIHTE-OLZOCXBDSA-N 2 2 262.357 0.826 20 0 CCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC001176877405 842437748 /nfs/dbraw/zinc/43/77/48/842437748.db2.gz CYABMVBESPIHTE-OLZOCXBDSA-N 2 2 262.357 0.826 20 0 CCADLP C[C@H](O)C[NH2+]CCCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001177063738 842498892 /nfs/dbraw/zinc/49/88/92/842498892.db2.gz CNEDHPFZZNIEAM-JSGCOSHPSA-N 2 2 294.399 0.161 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[C@@H]2OCC[N@@H+](CC)[C@H]2C1 ZINC001177119509 842502713 /nfs/dbraw/zinc/50/27/13/842502713.db2.gz OKBLYTAPAQXNJU-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP Cc1oncc1C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177406001 842579460 /nfs/dbraw/zinc/57/94/60/842579460.db2.gz VJIJPRGXLJOLDI-UHFFFAOYSA-N 2 2 277.328 0.476 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@H]1C ZINC001178594916 842876487 /nfs/dbraw/zinc/87/64/87/842876487.db2.gz MINZXGDMMDWCKH-AGIUHOORSA-N 2 2 294.399 0.956 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCCCCCC[NH2+]CCO ZINC001178654763 842891082 /nfs/dbraw/zinc/89/10/82/842891082.db2.gz VRUIRMIVWGQGMY-UHFFFAOYSA-N 2 2 282.388 0.601 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCCCCCC[NH2+]CCO ZINC001178654763 842891091 /nfs/dbraw/zinc/89/10/91/842891091.db2.gz VRUIRMIVWGQGMY-UHFFFAOYSA-N 2 2 282.388 0.601 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)n1c(=N)sc2c1CC[C@H]([NH3+])C2 ZINC001178698292 842906665 /nfs/dbraw/zinc/90/66/65/842906665.db2.gz ZLEJRHUKYFYQNC-ONGXEEELSA-N 2 2 294.424 0.970 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)n1c(=N)sc2c1CC[C@H]([NH3+])C2 ZINC001178698292 842906678 /nfs/dbraw/zinc/90/66/78/842906678.db2.gz ZLEJRHUKYFYQNC-ONGXEEELSA-N 2 2 294.424 0.970 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC001178853917 842931909 /nfs/dbraw/zinc/93/19/09/842931909.db2.gz YTRQVJJGGOOCFV-DYEKYZERSA-N 2 2 294.399 0.956 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC001178853917 842931913 /nfs/dbraw/zinc/93/19/13/842931913.db2.gz YTRQVJJGGOOCFV-DYEKYZERSA-N 2 2 294.399 0.956 20 0 CCADLP COCCNC(=O)C1([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC001178914653 842938609 /nfs/dbraw/zinc/93/86/09/842938609.db2.gz ZHSWGKOLJFAJON-OLZOCXBDSA-N 2 2 281.400 0.498 20 0 CCADLP COCCNC(=O)C1([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC001178914653 842938613 /nfs/dbraw/zinc/93/86/13/842938613.db2.gz ZHSWGKOLJFAJON-OLZOCXBDSA-N 2 2 281.400 0.498 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001179257752 842980917 /nfs/dbraw/zinc/98/09/17/842980917.db2.gz HCGNSXNZNXAQMD-IHRRRGAJSA-N 2 2 294.399 0.887 20 0 CCADLP C[C@@H](O)C[NH2+]CCCCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001179690047 843035530 /nfs/dbraw/zinc/03/55/30/843035530.db2.gz XVSCNTGDCQKNDO-GFCCVEGCSA-N 2 2 282.388 0.599 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCCCCC[NH2+]CCO ZINC001180065105 843101894 /nfs/dbraw/zinc/10/18/94/843101894.db2.gz IHNDIEJIKDXJNT-UHFFFAOYSA-N 2 2 282.388 0.221 20 0 CCADLP CC[C@H](C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C)OC ZINC001180279303 843142165 /nfs/dbraw/zinc/14/21/65/843142165.db2.gz AWNVGZJUMSZLBL-MJBXVCDLSA-N 2 2 294.399 0.887 20 0 CCADLP COCC[NH+]1CCN(C(=O)C[N@@H+](C)C2CCCC2)CC1 ZINC001180626448 843216807 /nfs/dbraw/zinc/21/68/07/843216807.db2.gz MZUUDBWPBUSITR-UHFFFAOYSA-N 2 2 283.416 0.651 20 0 CCADLP COCC[NH+]1CCN(C(=O)C[N@H+](C)C2CCCC2)CC1 ZINC001180626448 843216801 /nfs/dbraw/zinc/21/68/01/843216801.db2.gz MZUUDBWPBUSITR-UHFFFAOYSA-N 2 2 283.416 0.651 20 0 CCADLP C[N@H+](CC(=O)NC[C@@H]1C[NH+](C)CCO1)C1CCCC1 ZINC001180629375 843235665 /nfs/dbraw/zinc/23/56/65/843235665.db2.gz KCKNXFYUEWMRNW-CYBMUJFWSA-N 2 2 269.389 0.308 20 0 CCADLP C[N@@H+](CC(=O)NC[C@@H]1C[NH+](C)CCO1)C1CCCC1 ZINC001180629375 843235674 /nfs/dbraw/zinc/23/56/74/843235674.db2.gz KCKNXFYUEWMRNW-CYBMUJFWSA-N 2 2 269.389 0.308 20 0 CCADLP C[NH+](CC(=O)NC[C@@H]1C[N@H+](C)CCO1)C1CCCC1 ZINC001180629375 843235683 /nfs/dbraw/zinc/23/56/83/843235683.db2.gz KCKNXFYUEWMRNW-CYBMUJFWSA-N 2 2 269.389 0.308 20 0 CCADLP C[NH+](CC(=O)NC[C@@H]1C[N@@H+](C)CCO1)C1CCCC1 ZINC001180629375 843235691 /nfs/dbraw/zinc/23/56/91/843235691.db2.gz KCKNXFYUEWMRNW-CYBMUJFWSA-N 2 2 269.389 0.308 20 0 CCADLP CN(C)c1cc[nH+]cc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001180756151 843274928 /nfs/dbraw/zinc/27/49/28/843274928.db2.gz VYAIHRZCXXVCMB-LBPRGKRZSA-N 2 2 264.329 0.417 20 0 CCADLP CN(C)c1cc[nH+]cc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001180756151 843274931 /nfs/dbraw/zinc/27/49/31/843274931.db2.gz VYAIHRZCXXVCMB-LBPRGKRZSA-N 2 2 264.329 0.417 20 0 CCADLP Nc1cc(CC(=O)N(CC[NH3+])c2cccnc2)cc[nH+]1 ZINC001181263662 843437872 /nfs/dbraw/zinc/43/78/72/843437872.db2.gz ABBUOUAVIHHAGX-UHFFFAOYSA-N 2 2 271.324 0.593 20 0 CCADLP C[N@@H+]1CCC[C@](C)(NC(=O)Cc2cc[nH+]c(N)c2)C1 ZINC001181276637 843440747 /nfs/dbraw/zinc/44/07/47/843440747.db2.gz GBPKHFONUFOVMN-AWEZNQCLSA-N 2 2 262.357 0.807 20 0 CCADLP C[N@H+]1CCC[C@](C)(NC(=O)Cc2cc[nH+]c(N)c2)C1 ZINC001181276637 843440753 /nfs/dbraw/zinc/44/07/53/843440753.db2.gz GBPKHFONUFOVMN-AWEZNQCLSA-N 2 2 262.357 0.807 20 0 CCADLP Cc1nc(C[N@@H+](C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)co1 ZINC001192170072 845796374 /nfs/dbraw/zinc/79/63/74/845796374.db2.gz GTEVGNGBSUEXFL-AWEZNQCLSA-N 2 2 294.399 0.967 20 0 CCADLP Cc1nc(C[N@H+](C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)co1 ZINC001192170072 845796377 /nfs/dbraw/zinc/79/63/77/845796377.db2.gz GTEVGNGBSUEXFL-AWEZNQCLSA-N 2 2 294.399 0.967 20 0 CCADLP COCC[N@@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001193786288 846153698 /nfs/dbraw/zinc/15/36/98/846153698.db2.gz GATZCWMAYNZFHR-AWEZNQCLSA-N 2 2 294.399 0.532 20 0 CCADLP C[N@@H+]1CC[C@]2(CC[NH+](CCNC(=O)C3CC3)C2)C1 ZINC001194692193 846358485 /nfs/dbraw/zinc/35/84/85/846358485.db2.gz MJCISJIXKHJPKT-AWEZNQCLSA-N 2 2 251.374 0.540 20 0 CCADLP C[N@H+]1CC[C@]2(CC[NH+](CCNC(=O)C3CC3)C2)C1 ZINC001194692193 846358499 /nfs/dbraw/zinc/35/84/99/846358499.db2.gz MJCISJIXKHJPKT-AWEZNQCLSA-N 2 2 251.374 0.540 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@H+](CCNC(=O)C3CC3)C2)C1 ZINC001194692193 846358509 /nfs/dbraw/zinc/35/85/09/846358509.db2.gz MJCISJIXKHJPKT-AWEZNQCLSA-N 2 2 251.374 0.540 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@@H+](CCNC(=O)C3CC3)C2)C1 ZINC001194692193 846358518 /nfs/dbraw/zinc/35/85/18/846358518.db2.gz MJCISJIXKHJPKT-AWEZNQCLSA-N 2 2 251.374 0.540 20 0 CCADLP Cn1c[nH+]cc1-c1cccc(C(=O)NC2(C[NH3+])COC2)c1 ZINC001194918442 846417795 /nfs/dbraw/zinc/41/77/95/846417795.db2.gz VUAKTLYEQVIUGA-UHFFFAOYSA-N 2 2 286.335 0.545 20 0 CCADLP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001196498937 846764735 /nfs/dbraw/zinc/76/47/35/846764735.db2.gz HYWDGWFQOBJDHG-YNEHKIRRSA-N 2 2 280.372 0.406 20 0 CCADLP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001196498937 846764741 /nfs/dbraw/zinc/76/47/41/846764741.db2.gz HYWDGWFQOBJDHG-YNEHKIRRSA-N 2 2 280.372 0.406 20 0 CCADLP C[C@H](O)CCC[N@@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001197269590 846890022 /nfs/dbraw/zinc/89/00/22/846890022.db2.gz QIWIYGXCBNPDQR-ZDUSSCGKSA-N 2 2 294.399 0.648 20 0 CCADLP CCOCC[N@@H+]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001197950360 847008850 /nfs/dbraw/zinc/00/88/50/847008850.db2.gz AVABZDIIRRXKKP-UHFFFAOYSA-N 2 2 294.399 0.831 20 0 CCADLP CCOCC[N@H+]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001197950360 847008856 /nfs/dbraw/zinc/00/88/56/847008856.db2.gz AVABZDIIRRXKKP-UHFFFAOYSA-N 2 2 294.399 0.831 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ncccn2)C1 ZINC001198165223 847058319 /nfs/dbraw/zinc/05/83/19/847058319.db2.gz PDKGGIYMZBKXCY-STQMWFEESA-N 2 2 264.373 0.579 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ncccn2)C1 ZINC001198165223 847058326 /nfs/dbraw/zinc/05/83/26/847058326.db2.gz PDKGGIYMZBKXCY-STQMWFEESA-N 2 2 264.373 0.579 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](c2ncccn2)C1 ZINC001198165223 847058337 /nfs/dbraw/zinc/05/83/37/847058337.db2.gz PDKGGIYMZBKXCY-STQMWFEESA-N 2 2 264.373 0.579 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](c2ncccn2)C1 ZINC001198165223 847058344 /nfs/dbraw/zinc/05/83/44/847058344.db2.gz PDKGGIYMZBKXCY-STQMWFEESA-N 2 2 264.373 0.579 20 0 CCADLP CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001199405503 847325588 /nfs/dbraw/zinc/32/55/88/847325588.db2.gz GEWOIBOAOXRQOT-ZIAGYGMSSA-N 2 2 294.399 0.625 20 0 CCADLP CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001199405503 847325599 /nfs/dbraw/zinc/32/55/99/847325599.db2.gz GEWOIBOAOXRQOT-ZIAGYGMSSA-N 2 2 294.399 0.625 20 0 CCADLP CO[C@H](C)C[NH2+]C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001200949662 847711491 /nfs/dbraw/zinc/71/14/91/847711491.db2.gz HZSXDQLQXHPSPM-GFCCVEGCSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@H](C)C[NH2+]C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001200949662 847711497 /nfs/dbraw/zinc/71/14/97/847711497.db2.gz HZSXDQLQXHPSPM-GFCCVEGCSA-N 2 2 294.399 0.958 20 0 CCADLP CCCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCCO1 ZINC001201726756 847806979 /nfs/dbraw/zinc/80/69/79/847806979.db2.gz NYFUKDUSLFFNGV-CYBMUJFWSA-N 2 2 294.399 0.959 20 0 CCADLP [NH3+][C@H]1CN(CC[NH+]2CCOCC2)CC[C@H]1C(F)(F)F ZINC000717090160 848128258 /nfs/dbraw/zinc/12/82/58/848128258.db2.gz AKBOLNUNJBBZQV-MNOVXSKESA-N 2 2 281.322 0.530 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO ZINC001110845525 848409770 /nfs/dbraw/zinc/40/97/70/848409770.db2.gz LHZSPJWJGCZHMH-UPJWGTAASA-N 2 2 292.383 0.067 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001110845525 848409771 /nfs/dbraw/zinc/40/97/71/848409771.db2.gz LHZSPJWJGCZHMH-UPJWGTAASA-N 2 2 292.383 0.067 20 0 CCADLP OC[C@H](CC(F)(F)F)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000717817475 848505504 /nfs/dbraw/zinc/50/55/04/848505504.db2.gz HZSUAZOKIRQHGZ-IZOAKFFESA-N 2 2 264.291 0.886 20 0 CCADLP C[C@@H](C[NH2+]CC[C@H]1CCOC1)NC(=O)CCn1cc[nH+]c1 ZINC001275251543 848676883 /nfs/dbraw/zinc/67/68/83/848676883.db2.gz OXUAMDWWTLTKFH-KBPBESRZSA-N 2 2 294.399 0.794 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@@H]1C[NH2+]CCO ZINC001275808662 848831450 /nfs/dbraw/zinc/83/14/50/848831450.db2.gz XCBHYMZLQCNTEO-VXGBXAGGSA-N 2 2 280.372 0.209 20 0 CCADLP CN(CCC[NH2+]C[C@H]1CCCCO1)C(=O)Cc1c[nH+]c[nH]1 ZINC001276245694 848971636 /nfs/dbraw/zinc/97/16/36/848971636.db2.gz RPLVZTHUJWQTPN-CQSZACIVSA-N 2 2 294.399 0.959 20 0 CCADLP Cc1cc(C[NH+]2CC3(C2)CCN(CC[NH+](C)C)C3)n(C)n1 ZINC001276264877 848978005 /nfs/dbraw/zinc/97/80/05/848978005.db2.gz UDZVVLANILLLFH-UHFFFAOYSA-N 2 2 291.443 0.798 20 0 CCADLP COc1ncccc1C[NH+]1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001276290338 848986006 /nfs/dbraw/zinc/98/60/06/848986006.db2.gz HVNNXANVJQQPEZ-UHFFFAOYSA-N 2 2 290.411 0.769 20 0 CCADLP OCC[C@@H]1CSCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000687717462 849138247 /nfs/dbraw/zinc/13/82/47/849138247.db2.gz HVOOXVINCFMDBR-CHWSQXEVSA-N 2 2 274.430 0.243 20 0 CCADLP OCC[C@@H]1CSCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000687717462 849138250 /nfs/dbraw/zinc/13/82/50/849138250.db2.gz HVOOXVINCFMDBR-CHWSQXEVSA-N 2 2 274.430 0.243 20 0 CCADLP C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21)n1cc[nH+]c1 ZINC001114898650 849601316 /nfs/dbraw/zinc/60/13/16/849601316.db2.gz DOWURYAHBDUUMW-NMKXLXIOSA-N 2 2 280.347 0.850 20 0 CCADLP C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21)n1cc[nH+]c1 ZINC001114898650 849601319 /nfs/dbraw/zinc/60/13/19/849601319.db2.gz DOWURYAHBDUUMW-NMKXLXIOSA-N 2 2 280.347 0.850 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001038643259 849966409 /nfs/dbraw/zinc/96/64/09/849966409.db2.gz GDFMWNSHBGYCFI-AAEUAGOBSA-N 2 2 295.383 0.526 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001038643259 849966418 /nfs/dbraw/zinc/96/64/18/849966418.db2.gz GDFMWNSHBGYCFI-AAEUAGOBSA-N 2 2 295.383 0.526 20 0 CCADLP COCC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001041759359 850497567 /nfs/dbraw/zinc/49/75/67/850497567.db2.gz UGVYRBCOSHVAQS-HNNXBMFYSA-N 2 2 292.383 0.523 20 0 CCADLP COCC[N@H+]1CC[C@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001041759359 850497570 /nfs/dbraw/zinc/49/75/70/850497570.db2.gz UGVYRBCOSHVAQS-HNNXBMFYSA-N 2 2 292.383 0.523 20 0 CCADLP COC[C@@H](C)[NH+]1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001043875728 850954314 /nfs/dbraw/zinc/95/43/14/850954314.db2.gz MUUDVVWWELYRCA-CHWSQXEVSA-N 2 2 283.416 0.506 20 0 CCADLP COC[C@@H](C)[NH+]1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001043875728 850954325 /nfs/dbraw/zinc/95/43/25/850954325.db2.gz MUUDVVWWELYRCA-CHWSQXEVSA-N 2 2 283.416 0.506 20 0 CCADLP CC(C)C[NH+]1CC(N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001044191120 851037656 /nfs/dbraw/zinc/03/76/56/851037656.db2.gz OGOGANGQCOERPS-UHFFFAOYSA-N 2 2 264.373 0.761 20 0 CCADLP C[C@H](F)CC[NH+]1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001044295114 851068514 /nfs/dbraw/zinc/06/85/14/851068514.db2.gz NDPQUXYJIGLDLS-LBPRGKRZSA-N 2 2 271.380 0.973 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH+]2CC(N(C)C(=O)C[NH+]3CCCC3)C2)O1 ZINC001044295288 851068824 /nfs/dbraw/zinc/06/88/24/851068824.db2.gz QSVMDKVZYQVDTA-HIFRSBDPSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)C1C[NH+](CCCO)C1 ZINC001044331116 851077023 /nfs/dbraw/zinc/07/70/23/851077023.db2.gz HDXMUFZNRUQPBP-CHWSQXEVSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCO)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001044578352 851127223 /nfs/dbraw/zinc/12/72/23/851127223.db2.gz VIJJZTAVJITCOC-RYUDHWBXSA-N 2 2 280.372 0.304 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]CCO)C[C@@H]1C ZINC001044842308 851166938 /nfs/dbraw/zinc/16/69/38/851166938.db2.gz RESJAOYTINSIIF-JQWIXIFHSA-N 2 2 280.372 0.222 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@]2(C)CC[NH+](CCCF)C2)C1 ZINC001046218823 851425647 /nfs/dbraw/zinc/42/56/47/851425647.db2.gz LMFQDVXUURTIEO-JSGCOSHPSA-N 2 2 287.379 0.257 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@]2(C)CC[NH+](CCCF)C2)C1 ZINC001046218823 851425656 /nfs/dbraw/zinc/42/56/56/851425656.db2.gz LMFQDVXUURTIEO-JSGCOSHPSA-N 2 2 287.379 0.257 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@@]2(C)CC[N@H+](CCCF)C2)C1 ZINC001046218823 851425662 /nfs/dbraw/zinc/42/56/62/851425662.db2.gz LMFQDVXUURTIEO-JSGCOSHPSA-N 2 2 287.379 0.257 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CCCF)C2)C1 ZINC001046218823 851425666 /nfs/dbraw/zinc/42/56/66/851425666.db2.gz LMFQDVXUURTIEO-JSGCOSHPSA-N 2 2 287.379 0.257 20 0 CCADLP CC(C)[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001048489840 851963223 /nfs/dbraw/zinc/96/32/23/851963223.db2.gz LLBRSQBAPYKHLU-STQMWFEESA-N 2 2 264.373 0.976 20 0 CCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CC1CC1 ZINC001048491612 851965339 /nfs/dbraw/zinc/96/53/39/851965339.db2.gz XBTNHNAEKBHWCI-TZMCWYRMSA-N 2 2 276.384 0.977 20 0 CCADLP COCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001049750788 852365826 /nfs/dbraw/zinc/36/58/26/852365826.db2.gz NQWVNKYUYGGXSE-KBPBESRZSA-N 2 2 292.383 0.664 20 0 CCADLP COCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001049750788 852365828 /nfs/dbraw/zinc/36/58/28/852365828.db2.gz NQWVNKYUYGGXSE-KBPBESRZSA-N 2 2 292.383 0.664 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]2[C@H]1CC[N@H+]2CCF ZINC001049929390 852397624 /nfs/dbraw/zinc/39/76/24/852397624.db2.gz AKFORSGOAFMSPM-QWHCGFSZSA-N 2 2 280.347 0.918 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCF ZINC001049929390 852397632 /nfs/dbraw/zinc/39/76/32/852397632.db2.gz AKFORSGOAFMSPM-QWHCGFSZSA-N 2 2 280.347 0.918 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@H+](CCCO)CC1 ZINC001052899709 852669776 /nfs/dbraw/zinc/66/97/76/852669776.db2.gz YUBNKIIFUAUEOD-CYBMUJFWSA-N 2 2 294.399 0.614 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@@H+](CCCO)CC1 ZINC001052899709 852669782 /nfs/dbraw/zinc/66/97/82/852669782.db2.gz YUBNKIIFUAUEOD-CYBMUJFWSA-N 2 2 294.399 0.614 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CCOC2(C[NH+](C(C)C)C2)C1 ZINC001053342927 852731002 /nfs/dbraw/zinc/73/10/02/852731002.db2.gz QUAMUHMVEOKTDG-UHFFFAOYSA-N 2 2 292.383 0.513 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1COC2(C[NH+](CCCF)C2)C1 ZINC001053758263 852808612 /nfs/dbraw/zinc/80/86/12/852808612.db2.gz OKFVLJSOSVYHDR-OLZOCXBDSA-N 2 2 299.390 0.400 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1COC2(C[NH+](CCCF)C2)C1 ZINC001053758263 852808617 /nfs/dbraw/zinc/80/86/17/852808617.db2.gz OKFVLJSOSVYHDR-OLZOCXBDSA-N 2 2 299.390 0.400 20 0 CCADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1c[nH+]cc1C)CO2 ZINC001053871818 852836406 /nfs/dbraw/zinc/83/64/06/852836406.db2.gz NDOUUWDHJUPXLT-GFCCVEGCSA-N 2 2 278.356 0.171 20 0 CCADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)CO2 ZINC001053924803 852847804 /nfs/dbraw/zinc/84/78/04/852847804.db2.gz CEGUYRFJZCNGEA-QWHCGFSZSA-N 2 2 281.400 0.308 20 0 CCADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@H+]1CC[C@H](C)C1)CO2 ZINC001053924803 852847812 /nfs/dbraw/zinc/84/78/12/852847812.db2.gz CEGUYRFJZCNGEA-QWHCGFSZSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1[NH2+]CCO ZINC001054798021 853016970 /nfs/dbraw/zinc/01/69/70/853016970.db2.gz ONJRQIOGHLWCSF-QMTHXVAHSA-N 2 2 288.351 0.605 20 0 CCADLP Cc1nc(N[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cc[nH+]1 ZINC001056642268 853179986 /nfs/dbraw/zinc/17/99/86/853179986.db2.gz GZTWKAVRCWWABQ-QWHCGFSZSA-N 2 2 289.383 0.750 20 0 CCADLP Cc1nc(N[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cc[nH+]1 ZINC001056642268 853179987 /nfs/dbraw/zinc/17/99/87/853179987.db2.gz GZTWKAVRCWWABQ-QWHCGFSZSA-N 2 2 289.383 0.750 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001050922003 853486640 /nfs/dbraw/zinc/48/66/40/853486640.db2.gz WGFBZYKVVQAFAW-KGLIPLIRSA-N 2 2 281.400 0.165 20 0 CCADLP CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001050922003 853486645 /nfs/dbraw/zinc/48/66/45/853486645.db2.gz WGFBZYKVVQAFAW-KGLIPLIRSA-N 2 2 281.400 0.165 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CCO1 ZINC001051821272 853647983 /nfs/dbraw/zinc/64/79/83/853647983.db2.gz TXBIVXJUDHHHTG-VXGBXAGGSA-N 2 2 292.383 0.667 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCO[C@H](C[NH2+]CC2CC2)C1 ZINC001051883939 853653970 /nfs/dbraw/zinc/65/39/70/853653970.db2.gz CWKCYXRHANOZFB-GFCCVEGCSA-N 2 2 278.356 0.179 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCO[C@@H](C[NH2+]CC2CC2)C1 ZINC001051904016 853657810 /nfs/dbraw/zinc/65/78/10/853657810.db2.gz YPUJLXUKTPAUIA-AWEZNQCLSA-N 2 2 292.383 0.190 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]C[C@@H](O)c1ccsc1)C1CC1 ZINC000386089205 853916588 /nfs/dbraw/zinc/91/65/88/853916588.db2.gz ICRJHHYOMYXKOF-CHWSQXEVSA-N 2 2 270.398 0.826 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H](O)c1ccsc1)C1CC1 ZINC000386089205 853916593 /nfs/dbraw/zinc/91/65/93/853916593.db2.gz ICRJHHYOMYXKOF-CHWSQXEVSA-N 2 2 270.398 0.826 20 0 CCADLP C[C@](O)(C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(F)(F)F ZINC000389030672 853983955 /nfs/dbraw/zinc/98/39/55/853983955.db2.gz CZIWUXUMTOUNOO-DCAQKATOSA-N 2 2 282.306 0.753 20 0 CCADLP C[C@](O)(C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)C(F)(F)F ZINC000389030672 853983957 /nfs/dbraw/zinc/98/39/57/853983957.db2.gz CZIWUXUMTOUNOO-DCAQKATOSA-N 2 2 282.306 0.753 20 0 CCADLP COCC[N@@H+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001073078269 854525442 /nfs/dbraw/zinc/52/54/42/854525442.db2.gz ATMQMSWBBMYHGC-UHFFFAOYSA-N 2 2 278.356 0.133 20 0 CCADLP COCC[N@H+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001073078269 854525449 /nfs/dbraw/zinc/52/54/49/854525449.db2.gz ATMQMSWBBMYHGC-UHFFFAOYSA-N 2 2 278.356 0.133 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001073079215 854525729 /nfs/dbraw/zinc/52/57/29/854525729.db2.gz JTKQERASEWVNAC-LBPRGKRZSA-N 2 2 292.383 0.521 20 0 CCADLP CO[C@@H](C)C[N@H+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001073079215 854525735 /nfs/dbraw/zinc/52/57/35/854525735.db2.gz JTKQERASEWVNAC-LBPRGKRZSA-N 2 2 292.383 0.521 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CCF)CCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001074717253 854770244 /nfs/dbraw/zinc/77/02/44/854770244.db2.gz FOXBIDFRUWPRJT-OBJOEFQTSA-N 2 2 294.374 0.994 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001099809167 854998325 /nfs/dbraw/zinc/99/83/25/854998325.db2.gz CZUVLHVFNJSWMY-NWDGAFQWSA-N 2 2 280.372 0.302 20 0 CCADLP CC(C)[N@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001099809167 854998328 /nfs/dbraw/zinc/99/83/28/854998328.db2.gz CZUVLHVFNJSWMY-NWDGAFQWSA-N 2 2 280.372 0.302 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@H]1CC[N@@H+](CC2CC2)C[C@H]1O ZINC001099940583 855040241 /nfs/dbraw/zinc/04/02/41/855040241.db2.gz YDUDIAYJWPFMJB-UONOGXRCSA-N 2 2 292.383 0.235 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@H]1CC[N@H+](CC2CC2)C[C@H]1O ZINC001099940583 855040243 /nfs/dbraw/zinc/04/02/43/855040243.db2.gz YDUDIAYJWPFMJB-UONOGXRCSA-N 2 2 292.383 0.235 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@H](O)C1 ZINC001100094004 855098804 /nfs/dbraw/zinc/09/88/04/855098804.db2.gz FWDCVRLWOHZGJA-UONOGXRCSA-N 2 2 294.399 0.313 20 0 CCADLP CC(C)[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@H](O)C1 ZINC001100094004 855098811 /nfs/dbraw/zinc/09/88/11/855098811.db2.gz FWDCVRLWOHZGJA-UONOGXRCSA-N 2 2 294.399 0.313 20 0 CCADLP COCC[N@H+]1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102030828 855409003 /nfs/dbraw/zinc/40/90/03/855409003.db2.gz FXKQHPGTVZQRNL-CHWSQXEVSA-N 2 2 294.399 0.673 20 0 CCADLP COCC[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102030828 855409010 /nfs/dbraw/zinc/40/90/10/855409010.db2.gz FXKQHPGTVZQRNL-CHWSQXEVSA-N 2 2 294.399 0.673 20 0 CCADLP COCC[N@H+]1C[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102030828 855409016 /nfs/dbraw/zinc/40/90/16/855409016.db2.gz FXKQHPGTVZQRNL-CHWSQXEVSA-N 2 2 294.399 0.673 20 0 CCADLP COCC[N@@H+]1C[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001102030828 855409021 /nfs/dbraw/zinc/40/90/21/855409021.db2.gz FXKQHPGTVZQRNL-CHWSQXEVSA-N 2 2 294.399 0.673 20 0 CCADLP CCOCC[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102615469 855449699 /nfs/dbraw/zinc/44/96/99/855449699.db2.gz CDCRNUGOBVJAFJ-ZIAGYGMSSA-N 2 2 294.399 0.604 20 0 CCADLP CCOCC[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102615469 855449703 /nfs/dbraw/zinc/44/97/03/855449703.db2.gz CDCRNUGOBVJAFJ-ZIAGYGMSSA-N 2 2 294.399 0.604 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001103472494 855520162 /nfs/dbraw/zinc/52/01/62/855520162.db2.gz WENBXCNFOMXHDE-JHJVBQTASA-N 2 2 294.399 0.407 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001103472494 855520166 /nfs/dbraw/zinc/52/01/66/855520166.db2.gz WENBXCNFOMXHDE-JHJVBQTASA-N 2 2 294.399 0.407 20 0 CCADLP Cc1nn(C)c(Cl)c1C[N@H+](C)CCOCC[NH3+] ZINC000699296651 855627270 /nfs/dbraw/zinc/62/72/70/855627270.db2.gz VXKJGJFMJBGXBL-UHFFFAOYSA-N 2 2 260.769 0.789 20 0 CCADLP Cc1nn(C)c(Cl)c1C[N@@H+](C)CCOCC[NH3+] ZINC000699296651 855627273 /nfs/dbraw/zinc/62/72/73/855627273.db2.gz VXKJGJFMJBGXBL-UHFFFAOYSA-N 2 2 260.769 0.789 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cc[nH+]c1 ZINC001115340123 855663874 /nfs/dbraw/zinc/66/38/74/855663874.db2.gz LGJIBCBWNLBXKJ-RMRHIDDWSA-N 2 2 292.383 0.091 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cc[nH+]c1 ZINC001115340123 855663880 /nfs/dbraw/zinc/66/38/80/855663880.db2.gz LGJIBCBWNLBXKJ-RMRHIDDWSA-N 2 2 292.383 0.091 20 0 CCADLP O=S1(=O)CCC[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC001117634082 856030469 /nfs/dbraw/zinc/03/04/69/856030469.db2.gz YNQFQRDPJNXBSF-UWVGGRQHSA-N 2 2 269.370 0.434 20 0 CCADLP Cc1nn(CCO)c(C)c1C[N@@H+](C)C1CC[NH2+]CC1 ZINC001118241947 856219188 /nfs/dbraw/zinc/21/91/88/856219188.db2.gz SNVRCXPJCRENHI-UHFFFAOYSA-N 2 2 266.389 0.676 20 0 CCADLP Cc1nn(CCO)c(C)c1C[N@H+](C)C1CC[NH2+]CC1 ZINC001118241947 856219190 /nfs/dbraw/zinc/21/91/90/856219190.db2.gz SNVRCXPJCRENHI-UHFFFAOYSA-N 2 2 266.389 0.676 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001118261382 856229118 /nfs/dbraw/zinc/22/91/18/856229118.db2.gz SSJQJMAGAUXONQ-NEPJUHHUSA-N 2 2 260.403 0.353 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001118261382 856229122 /nfs/dbraw/zinc/22/91/22/856229122.db2.gz SSJQJMAGAUXONQ-NEPJUHHUSA-N 2 2 260.403 0.353 20 0 CCADLP Cc1nnc(CC[N@@H+]2CCc3[nH+]ccc(N)c3C2)o1 ZINC001119903611 856915174 /nfs/dbraw/zinc/91/51/74/856915174.db2.gz DKBHJUYEZIIEFI-UHFFFAOYSA-N 2 2 259.313 0.956 20 0 CCADLP Cc1nnc(CC[N@H+]2CCc3[nH+]ccc(N)c3C2)o1 ZINC001119903611 856915176 /nfs/dbraw/zinc/91/51/76/856915176.db2.gz DKBHJUYEZIIEFI-UHFFFAOYSA-N 2 2 259.313 0.956 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]CCCN1CCC[NH+](C)CC1)C1CC1 ZINC001120488066 857089138 /nfs/dbraw/zinc/08/91/38/857089138.db2.gz PXCGSZNYANXVQV-INIZCTEOSA-N 3 2 298.475 0.059 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]CCCN1CCC[NH+](C)CC1)C1CC1 ZINC001120488066 857089146 /nfs/dbraw/zinc/08/91/46/857089146.db2.gz PXCGSZNYANXVQV-INIZCTEOSA-N 3 2 298.475 0.059 20 0 CCADLP C[NH+](C[C@@H](O)C[NH2+]CCCN1CCC[N@H+](C)CC1)C1CC1 ZINC001120488066 857089150 /nfs/dbraw/zinc/08/91/50/857089150.db2.gz PXCGSZNYANXVQV-INIZCTEOSA-N 3 2 298.475 0.059 20 0 CCADLP C[NH+](C[C@@H](O)C[NH2+]CCCN1CCC[N@@H+](C)CC1)C1CC1 ZINC001120488066 857089158 /nfs/dbraw/zinc/08/91/58/857089158.db2.gz PXCGSZNYANXVQV-INIZCTEOSA-N 3 2 298.475 0.059 20 0 CCADLP CC[NH+]1CC(O)(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001393351658 912529194 /nfs/dbraw/zinc/52/91/94/912529194.db2.gz ASBUAELTMIZJNR-STQMWFEESA-N 2 2 283.416 0.290 20 0 CCADLP CCOCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001323899228 912573201 /nfs/dbraw/zinc/57/32/01/912573201.db2.gz ZCWGWACLUBZBLX-CYBMUJFWSA-N 2 2 269.389 0.260 20 0 CCADLP CCOCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001323899228 912573218 /nfs/dbraw/zinc/57/32/18/912573218.db2.gz ZCWGWACLUBZBLX-CYBMUJFWSA-N 2 2 269.389 0.260 20 0 CCADLP CCOCC[N@@H+]1CC[C@@](C)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001324667964 912968238 /nfs/dbraw/zinc/96/82/38/912968238.db2.gz BPPYQPYTSLGKET-OAHLLOKOSA-N 2 2 294.399 0.878 20 0 CCADLP CCOCC[N@H+]1CC[C@@](C)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001324667964 912968258 /nfs/dbraw/zinc/96/82/58/912968258.db2.gz BPPYQPYTSLGKET-OAHLLOKOSA-N 2 2 294.399 0.878 20 0 CCADLP CCC[NH+]1CC(CCO)(NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001394163809 913058671 /nfs/dbraw/zinc/05/86/71/913058671.db2.gz SJGPDSYYIIISQC-CYBMUJFWSA-N 2 2 285.432 0.536 20 0 CCADLP CC[C@@H](C(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1)[NH+](CC)CC ZINC001394257122 913103737 /nfs/dbraw/zinc/10/37/37/913103737.db2.gz YTSDPIXDYHDLQZ-YPMHNXCESA-N 2 2 298.431 0.029 20 0 CCADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]CCn1cccn1 ZINC001394532133 913238791 /nfs/dbraw/zinc/23/87/91/913238791.db2.gz NGPQIVPJDDPLFX-LBPRGKRZSA-N 2 2 290.371 0.285 20 0 CCADLP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1cnon1)[NH+](C)C ZINC001394544502 913249383 /nfs/dbraw/zinc/24/93/83/913249383.db2.gz XUTWMRGNPNSLKD-ZYHUDNBSSA-N 2 2 283.376 0.346 20 0 CCADLP CC(C)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001394599831 913304036 /nfs/dbraw/zinc/30/40/36/913304036.db2.gz BTEARASQQDETQS-QWHCGFSZSA-N 2 2 294.399 0.168 20 0 CCADLP COCC[N@H+](C)CCN(C(=O)Cn1cc[nH+]c1)C(C)C ZINC001394812880 913447707 /nfs/dbraw/zinc/44/77/07/913447707.db2.gz LHEZMHRQUCRNNB-UHFFFAOYSA-N 2 2 282.388 0.698 20 0 CCADLP COCC[N@@H+](C)CCN(C(=O)Cn1cc[nH+]c1)C(C)C ZINC001394812880 913447720 /nfs/dbraw/zinc/44/77/20/913447720.db2.gz LHEZMHRQUCRNNB-UHFFFAOYSA-N 2 2 282.388 0.698 20 0 CCADLP C[C@@H](CC(=O)NCCC1(C[NH2+]CCO)CC1)n1cc[nH+]c1 ZINC001167348523 891558036 /nfs/dbraw/zinc/55/80/36/891558036.db2.gz KTYZDQLOCIKNGD-ZDUSSCGKSA-N 2 2 294.399 0.703 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)CNC(=O)C[NH+]2CCCC2)s1 ZINC001418315598 891787270 /nfs/dbraw/zinc/78/72/70/891787270.db2.gz JQNGBRUVXBWINZ-SNVBAGLBSA-N 2 2 297.428 0.537 20 0 CCADLP COCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC001284017495 892558586 /nfs/dbraw/zinc/55/85/86/892558586.db2.gz OYHUENMXWASYJO-QWHCGFSZSA-N 2 2 294.399 0.578 20 0 CCADLP CC[C@H](C(=O)NC1C[NH+](CCOCC(C)C)C1)[NH+](C)C ZINC001481567315 892840919 /nfs/dbraw/zinc/84/09/19/892840919.db2.gz PADJUSSZAOBZMP-CQSZACIVSA-N 2 2 285.432 0.800 20 0 CCADLP C[C@@H](O)CCC[NH+]1CC(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001481583184 892864971 /nfs/dbraw/zinc/86/49/71/892864971.db2.gz YLNMJVYIAFJKLN-QWHCGFSZSA-N 2 2 283.416 0.290 20 0 CCADLP C[C@@H](O)CCC[NH+]1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001481583184 892864982 /nfs/dbraw/zinc/86/49/82/892864982.db2.gz YLNMJVYIAFJKLN-QWHCGFSZSA-N 2 2 283.416 0.290 20 0 CCADLP C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)[C@H]1C[NH2+]CCO ZINC001496476891 893091811 /nfs/dbraw/zinc/09/18/11/893091811.db2.gz DDWZKIIFLGHAOT-KGLIPLIRSA-N 2 2 294.399 0.482 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@](C)(C[NH2+]CCF)C2CC2)C1 ZINC001481921430 893268014 /nfs/dbraw/zinc/26/80/14/893268014.db2.gz GDSCMXWBOFGGKT-GXTWGEPZSA-N 2 2 287.379 0.161 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N[C@](C)(C[NH2+]CCF)C2CC2)C1 ZINC001481921430 893268030 /nfs/dbraw/zinc/26/80/30/893268030.db2.gz GDSCMXWBOFGGKT-GXTWGEPZSA-N 2 2 287.379 0.161 20 0 CCADLP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C[NH2+]CCO ZINC001482113162 893405518 /nfs/dbraw/zinc/40/55/18/893405518.db2.gz IFWDKQHHFRAYAX-JTQLQIEISA-N 2 2 276.340 0.511 20 0 CCADLP C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)nc2)CC[N@@H+]1C ZINC001362094570 893508066 /nfs/dbraw/zinc/50/80/66/893508066.db2.gz ZUEHNJKYWYPFHC-GFCCVEGCSA-N 2 2 276.384 0.919 20 0 CCADLP C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)nc2)CC[N@H+]1C ZINC001362094570 893508083 /nfs/dbraw/zinc/50/80/83/893508083.db2.gz ZUEHNJKYWYPFHC-GFCCVEGCSA-N 2 2 276.384 0.919 20 0 CCADLP CC(=O)[C@@](C)(O)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC001363202000 893700077 /nfs/dbraw/zinc/70/00/77/893700077.db2.gz BYKOZNAFCICGSW-GJZGRUSLSA-N 2 2 283.416 0.038 20 0 CCADLP CC(=O)[C@@](C)(O)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC001363202000 893700083 /nfs/dbraw/zinc/70/00/83/893700083.db2.gz BYKOZNAFCICGSW-GJZGRUSLSA-N 2 2 283.416 0.038 20 0 CCADLP C[C@@H](CC[NH2+]CCF)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001482845243 894645371 /nfs/dbraw/zinc/64/53/71/894645371.db2.gz JZXQELAMOKFDME-NWDGAFQWSA-N 2 2 282.363 0.899 20 0 CCADLP Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)o1 ZINC001483161991 895044859 /nfs/dbraw/zinc/04/48/59/895044859.db2.gz WWVFVGKSXGIFBO-SNVBAGLBSA-N 2 2 295.387 0.314 20 0 CCADLP CO[C@H](C[NH2+]C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1)C1CCC1 ZINC001483270053 895400771 /nfs/dbraw/zinc/40/07/71/895400771.db2.gz IKJMFTMRHMPLGE-SMDDNHRTSA-N 2 2 294.399 0.862 20 0 CCADLP COC[C@H](C)[NH2+]C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001483277713 895409284 /nfs/dbraw/zinc/40/92/84/895409284.db2.gz DNVRULZCFWCVQJ-UWVGGRQHSA-N 2 2 254.334 0.081 20 0 CCADLP CO[C@@H](C)C[N@H+](C)C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001483415928 895550450 /nfs/dbraw/zinc/55/04/50/895550450.db2.gz RLFHWACLTIYLPC-STQMWFEESA-N 2 2 296.415 0.824 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001483415928 895550459 /nfs/dbraw/zinc/55/04/59/895550459.db2.gz RLFHWACLTIYLPC-STQMWFEESA-N 2 2 296.415 0.824 20 0 CCADLP COCC[NH2+]Cc1nc([C@@H]2C[NH+]3CCC2CC3)no1 ZINC001326513709 913997800 /nfs/dbraw/zinc/99/78/00/913997800.db2.gz VMRYFQBJHCKFAL-LLVKDONJSA-N 2 2 266.345 0.615 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001326582109 914032816 /nfs/dbraw/zinc/03/28/16/914032816.db2.gz KPERTMITIFOUSC-NWDGAFQWSA-N 2 2 260.403 0.353 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC001326582109 914032835 /nfs/dbraw/zinc/03/28/35/914032835.db2.gz KPERTMITIFOUSC-NWDGAFQWSA-N 2 2 260.403 0.353 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001397069791 914034874 /nfs/dbraw/zinc/03/48/74/914034874.db2.gz AQMWQKRMYYZKKW-RWMBFGLXSA-N 2 2 294.399 0.218 20 0 CCADLP CCOCC[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001483932649 896123056 /nfs/dbraw/zinc/12/30/56/896123056.db2.gz MHAQNDPGMARIHP-CQSZACIVSA-N 2 2 294.399 0.959 20 0 CCADLP CCOCC[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001483932649 896123062 /nfs/dbraw/zinc/12/30/62/896123062.db2.gz MHAQNDPGMARIHP-CQSZACIVSA-N 2 2 294.399 0.959 20 0 CCADLP C[N@H+](CCO)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001485060603 896751104 /nfs/dbraw/zinc/75/11/04/896751104.db2.gz PYYCIGDGMSMIGK-JHJVBQTASA-N 2 2 292.383 0.428 20 0 CCADLP C[N@@H+](CCO)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001485060603 896751110 /nfs/dbraw/zinc/75/11/10/896751110.db2.gz PYYCIGDGMSMIGK-JHJVBQTASA-N 2 2 292.383 0.428 20 0 CCADLP C[N@H+](CCO)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001485060603 896751114 /nfs/dbraw/zinc/75/11/14/896751114.db2.gz PYYCIGDGMSMIGK-JHJVBQTASA-N 2 2 292.383 0.428 20 0 CCADLP C[N@@H+](CCO)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001485060603 896751122 /nfs/dbraw/zinc/75/11/22/896751122.db2.gz PYYCIGDGMSMIGK-JHJVBQTASA-N 2 2 292.383 0.428 20 0 CCADLP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1csnn1 ZINC001485206166 896860984 /nfs/dbraw/zinc/86/09/84/896860984.db2.gz HPDIVYYREDQRKC-GHMZBOCLSA-N 2 2 299.444 0.863 20 0 CCADLP CC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1csnn1 ZINC001485206166 896861000 /nfs/dbraw/zinc/86/10/00/896861000.db2.gz HPDIVYYREDQRKC-GHMZBOCLSA-N 2 2 299.444 0.863 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)CCOC1CCC1 ZINC001485363940 896990870 /nfs/dbraw/zinc/99/08/70/896990870.db2.gz AMCFEMWGIMOWMK-LBPRGKRZSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)CCOC1CCC1 ZINC001485363940 896990881 /nfs/dbraw/zinc/99/08/81/896990881.db2.gz AMCFEMWGIMOWMK-LBPRGKRZSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1[nH]cc[nH+]1 ZINC001032379024 897369909 /nfs/dbraw/zinc/36/99/09/897369909.db2.gz FJYWBLSKCPKNJU-SRVKXCTJSA-N 2 2 278.356 0.008 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1[nH]cc[nH+]1 ZINC001032379024 897369924 /nfs/dbraw/zinc/36/99/24/897369924.db2.gz FJYWBLSKCPKNJU-SRVKXCTJSA-N 2 2 278.356 0.008 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCF)C1 ZINC001032794976 898315957 /nfs/dbraw/zinc/31/59/57/898315957.db2.gz CBZJIDOUYGGAPV-IHRRRGAJSA-N 2 2 299.390 0.352 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCF)C1 ZINC001032794976 898315974 /nfs/dbraw/zinc/31/59/74/898315974.db2.gz CBZJIDOUYGGAPV-IHRRRGAJSA-N 2 2 299.390 0.352 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCF)C1 ZINC001032794976 898315987 /nfs/dbraw/zinc/31/59/87/898315987.db2.gz CBZJIDOUYGGAPV-IHRRRGAJSA-N 2 2 299.390 0.352 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCF)C1 ZINC001032794976 898316005 /nfs/dbraw/zinc/31/60/05/898316005.db2.gz CBZJIDOUYGGAPV-IHRRRGAJSA-N 2 2 299.390 0.352 20 0 CCADLP COCC[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1c[nH+]cc1C ZINC001397544319 914261611 /nfs/dbraw/zinc/26/16/11/914261611.db2.gz KOVMSAJKQWRNHI-ZDUSSCGKSA-N 2 2 280.372 0.371 20 0 CCADLP COCC[N@H+]1CC[C@H]1CN(C)C(=O)Cn1c[nH+]cc1C ZINC001397544319 914261623 /nfs/dbraw/zinc/26/16/23/914261623.db2.gz KOVMSAJKQWRNHI-ZDUSSCGKSA-N 2 2 280.372 0.371 20 0 CCADLP CC(C)C[NH2+][C@H](CO)CNC(=O)CCc1[nH+]ccn1C ZINC001486020450 898592323 /nfs/dbraw/zinc/59/23/23/898592323.db2.gz VMOABMPINGKXNA-LBPRGKRZSA-N 2 2 282.388 0.075 20 0 CCADLP CO[C@@H](C)C[NH2+]CCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001493600762 898933724 /nfs/dbraw/zinc/93/37/24/898933724.db2.gz KTKYZDXGCIPXIQ-STQMWFEESA-N 2 2 294.399 0.528 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@H+](CCO)CC1(C)C ZINC001410025841 899182510 /nfs/dbraw/zinc/18/25/10/899182510.db2.gz GGZFKYRFUQQBBK-GFCCVEGCSA-N 2 2 294.399 0.172 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@@H+](CCO)CC1(C)C ZINC001410025841 899182517 /nfs/dbraw/zinc/18/25/17/899182517.db2.gz GGZFKYRFUQQBBK-GFCCVEGCSA-N 2 2 294.399 0.172 20 0 CCADLP CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1nnc(C)o1)[NH+](C)C ZINC001410485855 899437884 /nfs/dbraw/zinc/43/78/84/899437884.db2.gz GSQDEWFBHSNHBK-JQWIXIFHSA-N 2 2 297.403 0.655 20 0 CCADLP CC[NH2+][C@H](CO)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001410688664 899536750 /nfs/dbraw/zinc/53/67/50/899536750.db2.gz ZFCODKSONNGNCR-STQMWFEESA-N 2 2 282.388 0.557 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[N@H+](CCO)[C@@H]1C ZINC001397802137 914382763 /nfs/dbraw/zinc/38/27/63/914382763.db2.gz XZNPLSNMVZTKNB-LOWVWBTDSA-N 2 2 280.372 0.160 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[N@@H+](CCO)[C@@H]1C ZINC001397802137 914382776 /nfs/dbraw/zinc/38/27/76/914382776.db2.gz XZNPLSNMVZTKNB-LOWVWBTDSA-N 2 2 280.372 0.160 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[N@H+](CCO)[C@@H]1C ZINC001397802137 914382796 /nfs/dbraw/zinc/38/27/96/914382796.db2.gz XZNPLSNMVZTKNB-LOWVWBTDSA-N 2 2 280.372 0.160 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[N@@H+](CCO)[C@@H]1C ZINC001397802137 914382814 /nfs/dbraw/zinc/38/28/14/914382814.db2.gz XZNPLSNMVZTKNB-LOWVWBTDSA-N 2 2 280.372 0.160 20 0 CCADLP C[C@@H](O)C[N@H+](C)C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001397818998 914387154 /nfs/dbraw/zinc/38/71/54/914387154.db2.gz WZEDVUYETKXLGD-OLZOCXBDSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001397818998 914387175 /nfs/dbraw/zinc/38/71/75/914387175.db2.gz WZEDVUYETKXLGD-OLZOCXBDSA-N 2 2 294.399 0.646 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Nc2ccc(C[NH3+])c(F)c2)C[NH2+]1 ZINC001246460777 899868063 /nfs/dbraw/zinc/86/80/63/899868063.db2.gz AFNANMOGMRMQLN-JQWIXIFHSA-N 2 2 267.304 0.600 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC001325903808 900045960 /nfs/dbraw/zinc/04/59/60/900045960.db2.gz QXHRBMKNYGWZAA-UWVGGRQHSA-N 2 2 257.359 0.221 20 0 CCADLP CC[N@H+]1Cc2nccn2C[C@H](CN2CC[NH+](C)CC2)C1 ZINC001201580120 900264840 /nfs/dbraw/zinc/26/48/40/900264840.db2.gz BOVZHXUOJZPUEJ-AWEZNQCLSA-N 2 2 277.416 0.582 20 0 CCADLP CC[N@@H+]1Cc2nccn2C[C@H](CN2CC[NH+](C)CC2)C1 ZINC001201580120 900264851 /nfs/dbraw/zinc/26/48/51/900264851.db2.gz BOVZHXUOJZPUEJ-AWEZNQCLSA-N 2 2 277.416 0.582 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1C[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001488882802 900412299 /nfs/dbraw/zinc/41/22/99/900412299.db2.gz IJKABLSDXPXXSF-MGPQQGTHSA-N 2 2 292.383 0.404 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[C@@H]([NH2+]C[C@H](C)O)C1 ZINC001488966562 900420046 /nfs/dbraw/zinc/42/00/46/900420046.db2.gz SYSVALSDRHBQSU-WCFLWFBJSA-N 2 2 294.399 0.516 20 0 CCADLP COCC[N@H+](C)C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001489334036 900468217 /nfs/dbraw/zinc/46/82/17/900468217.db2.gz GHAHJNZNKSWRKH-AWEZNQCLSA-N 2 2 294.399 0.842 20 0 CCADLP COCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001489334036 900468225 /nfs/dbraw/zinc/46/82/25/900468225.db2.gz GHAHJNZNKSWRKH-AWEZNQCLSA-N 2 2 294.399 0.842 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCCC[N@@H+](C)Cc1cnon1 ZINC001490226883 900567434 /nfs/dbraw/zinc/56/74/34/900567434.db2.gz VDVKYXSGRSOWFM-UHFFFAOYSA-N 2 2 292.343 0.213 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCCC[N@H+](C)Cc1cnon1 ZINC001490226883 900567442 /nfs/dbraw/zinc/56/74/42/900567442.db2.gz VDVKYXSGRSOWFM-UHFFFAOYSA-N 2 2 292.343 0.213 20 0 CCADLP CC[NH+]1CCN([C@@H](C)CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001411769543 901243270 /nfs/dbraw/zinc/24/32/70/901243270.db2.gz DFZWQWWOXCORRR-ZDUSSCGKSA-N 2 2 293.415 0.105 20 0 CCADLP CC[C@H](C(=O)N1CC([NH+](C)C)C1)[N@@H+]1CCO[C@@H](CC)C1 ZINC001411986149 901375142 /nfs/dbraw/zinc/37/51/42/901375142.db2.gz GYTSNDBKJDKOME-UONOGXRCSA-N 2 2 283.416 0.648 20 0 CCADLP CC[C@H](C(=O)N1CC([NH+](C)C)C1)[N@H+]1CCO[C@@H](CC)C1 ZINC001411986149 901375150 /nfs/dbraw/zinc/37/51/50/901375150.db2.gz GYTSNDBKJDKOME-UONOGXRCSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001412227997 901570689 /nfs/dbraw/zinc/57/06/89/901570689.db2.gz TWZULACIAVYPSS-ZDUSSCGKSA-N 2 2 280.372 0.188 20 0 CCADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001412227997 901570698 /nfs/dbraw/zinc/57/06/98/901570698.db2.gz TWZULACIAVYPSS-ZDUSSCGKSA-N 2 2 280.372 0.188 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001398337103 914627594 /nfs/dbraw/zinc/62/75/94/914627594.db2.gz LCYCYUSIYKBUNJ-CYBMUJFWSA-N 2 2 293.415 0.451 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001398337103 914627600 /nfs/dbraw/zinc/62/76/00/914627600.db2.gz LCYCYUSIYKBUNJ-CYBMUJFWSA-N 2 2 293.415 0.451 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001398337103 914627609 /nfs/dbraw/zinc/62/76/09/914627609.db2.gz LCYCYUSIYKBUNJ-CYBMUJFWSA-N 2 2 293.415 0.451 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001398337103 914627613 /nfs/dbraw/zinc/62/76/13/914627613.db2.gz LCYCYUSIYKBUNJ-CYBMUJFWSA-N 2 2 293.415 0.451 20 0 CCADLP CCCn1c[nH+]cc1CN(CC[NH+](C)C)CC(=O)N(C)C ZINC001413228290 902800569 /nfs/dbraw/zinc/80/05/69/902800569.db2.gz QHCHMUICDDNTET-UHFFFAOYSA-N 2 2 295.431 0.745 20 0 CCADLP CC(=O)Oc1ccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235050473 903968071 /nfs/dbraw/zinc/96/80/71/903968071.db2.gz DNZXRZUCGPUZBV-MRXNPFEDSA-N 2 2 289.379 0.749 20 0 CCADLP CC(=O)Oc1ccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235050473 903968081 /nfs/dbraw/zinc/96/80/81/903968081.db2.gz DNZXRZUCGPUZBV-MRXNPFEDSA-N 2 2 289.379 0.749 20 0 CCADLP COCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001281457144 904287208 /nfs/dbraw/zinc/28/72/08/904287208.db2.gz GBLWGRFKAMIKGF-GXFFZTMASA-N 2 2 280.372 0.344 20 0 CCADLP COCCC[NH+]1CC([C@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001282716889 904530004 /nfs/dbraw/zinc/53/00/04/904530004.db2.gz NUBRZTOIFIGTDO-LBPRGKRZSA-N 2 2 294.399 0.815 20 0 CCADLP COCCC[NH+]1CC([C@H](C)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001282716889 904530010 /nfs/dbraw/zinc/53/00/10/904530010.db2.gz NUBRZTOIFIGTDO-LBPRGKRZSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001327867228 914823799 /nfs/dbraw/zinc/82/37/99/914823799.db2.gz IAAPTWFQWDJBOD-WCQYABFASA-N 2 2 280.372 0.425 20 0 CCADLP COCC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001327867228 914823818 /nfs/dbraw/zinc/82/38/18/914823818.db2.gz IAAPTWFQWDJBOD-WCQYABFASA-N 2 2 280.372 0.425 20 0 CCADLP CO[C@H](C)C[N@H+](CCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001377573369 905006656 /nfs/dbraw/zinc/00/66/56/905006656.db2.gz NFINBQLZWVGRDD-GFCCVEGCSA-N 2 2 280.372 0.499 20 0 CCADLP CO[C@H](C)C[N@@H+](CCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001377573369 905006678 /nfs/dbraw/zinc/00/66/78/905006678.db2.gz NFINBQLZWVGRDD-GFCCVEGCSA-N 2 2 280.372 0.499 20 0 CCADLP CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001377635640 905058994 /nfs/dbraw/zinc/05/89/94/905058994.db2.gz SROASSQHTWLPAQ-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001377635640 905059014 /nfs/dbraw/zinc/05/90/14/905059014.db2.gz SROASSQHTWLPAQ-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001377635640 905059032 /nfs/dbraw/zinc/05/90/32/905059032.db2.gz SROASSQHTWLPAQ-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001377635640 905059051 /nfs/dbraw/zinc/05/90/51/905059051.db2.gz SROASSQHTWLPAQ-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](CCOC)C1 ZINC001377658326 905074474 /nfs/dbraw/zinc/07/44/74/905074474.db2.gz QZIKCFHUKJBOQW-AWEZNQCLSA-N 2 2 294.399 0.912 20 0 CCADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CCOC)C1 ZINC001377658326 905074494 /nfs/dbraw/zinc/07/44/94/905074494.db2.gz QZIKCFHUKJBOQW-AWEZNQCLSA-N 2 2 294.399 0.912 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@@H](C[NH2+]CCF)C1 ZINC001284243631 905217882 /nfs/dbraw/zinc/21/78/82/905217882.db2.gz HWGSZKFXLXJWKT-VXGBXAGGSA-N 2 2 268.336 0.727 20 0 CCADLP C[C@H](c1ncccn1)[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001378124916 905437537 /nfs/dbraw/zinc/43/75/37/905437537.db2.gz UTKKWOKVRWHUCF-QWHCGFSZSA-N 2 2 293.415 0.926 20 0 CCADLP C[C@H](c1ncccn1)[N@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001378124916 905437544 /nfs/dbraw/zinc/43/75/44/905437544.db2.gz UTKKWOKVRWHUCF-QWHCGFSZSA-N 2 2 293.415 0.926 20 0 CCADLP C[C@@H]([NH2+]CCF)[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001378774897 905813645 /nfs/dbraw/zinc/81/36/45/905813645.db2.gz VFFFRTNCRSYGML-CHWSQXEVSA-N 2 2 298.362 0.448 20 0 CCADLP CC[C@H](C(=O)N[C@H](C)C[NH2+][C@H](C)c1nnc(C)[nH]1)[NH+](C)C ZINC001379381042 906199248 /nfs/dbraw/zinc/19/92/48/906199248.db2.gz DAPAHXWJZAAKPJ-CKYFFXLPSA-N 2 2 296.419 0.609 20 0 CCADLP CC[C@H](F)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001379852410 906507338 /nfs/dbraw/zinc/50/73/38/906507338.db2.gz LMDZQUSPIYJRDT-WDEREUQCSA-N 2 2 286.351 0.109 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H](C[NH2+]C[C@H]1CCOC1)C1CC1 ZINC001379906330 906531770 /nfs/dbraw/zinc/53/17/70/906531770.db2.gz QXDHAOOPZYUCLA-BXUZGUMPSA-N 2 2 292.383 0.473 20 0 CCADLP CC[C@H](C)C[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001379968544 906565276 /nfs/dbraw/zinc/56/52/76/906565276.db2.gz UTXOFAZKMFUQOF-JSGCOSHPSA-N 2 2 296.415 0.749 20 0 CCADLP CC[C@H](C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001379968544 906565292 /nfs/dbraw/zinc/56/52/92/906565292.db2.gz UTXOFAZKMFUQOF-JSGCOSHPSA-N 2 2 296.415 0.749 20 0 CCADLP Cc1oncc1C[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001380018648 906590632 /nfs/dbraw/zinc/59/06/32/906590632.db2.gz SBZGTXOTOHCGCE-CYBMUJFWSA-N 2 2 280.372 0.625 20 0 CCADLP Cc1oncc1C[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001380018648 906590639 /nfs/dbraw/zinc/59/06/39/906590639.db2.gz SBZGTXOTOHCGCE-CYBMUJFWSA-N 2 2 280.372 0.625 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)c2cc[nH+]c(N)n2)C[C@H](C)O1 ZINC001337962791 921326656 /nfs/dbraw/zinc/32/66/56/921326656.db2.gz SQRMWQNWOGBYFH-PHIMTYICSA-N 2 2 265.361 0.604 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1csnn1 ZINC001491684521 907499467 /nfs/dbraw/zinc/49/94/67/907499467.db2.gz WFNNJZREHMYCNI-SNVBAGLBSA-N 2 2 285.417 0.473 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1csnn1 ZINC001491684521 907499472 /nfs/dbraw/zinc/49/94/72/907499472.db2.gz WFNNJZREHMYCNI-SNVBAGLBSA-N 2 2 285.417 0.473 20 0 CCADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]C[C@H]1CCCOC1 ZINC001382112505 907551438 /nfs/dbraw/zinc/55/14/38/907551438.db2.gz AHGOJIFLIUWKGI-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C(C)C)[nH]1 ZINC001382165654 907582251 /nfs/dbraw/zinc/58/22/51/907582251.db2.gz MEFZCNJIBPUDHL-LLVKDONJSA-N 2 2 296.419 0.390 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)C(C)C)[nH]1 ZINC001382165654 907582266 /nfs/dbraw/zinc/58/22/66/907582266.db2.gz MEFZCNJIBPUDHL-LLVKDONJSA-N 2 2 296.419 0.390 20 0 CCADLP COC[C@@H](C)[N@H+](C)CCNC(=O)CCn1cc[nH+]c1 ZINC001492363790 907871612 /nfs/dbraw/zinc/87/16/12/907871612.db2.gz WJFRNTPGXXRKFB-GFCCVEGCSA-N 2 2 268.361 0.356 20 0 CCADLP COC[C@@H](C)[N@@H+](C)CCNC(=O)CCn1cc[nH+]c1 ZINC001492363790 907871632 /nfs/dbraw/zinc/87/16/32/907871632.db2.gz WJFRNTPGXXRKFB-GFCCVEGCSA-N 2 2 268.361 0.356 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]CCOCC1CCC1)C1CC1 ZINC001336703170 907962133 /nfs/dbraw/zinc/96/21/33/907962133.db2.gz HZCZWOKKMRPRBA-CQSZACIVSA-N 2 2 256.390 0.848 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]CCOCC1CCC1)C1CC1 ZINC001336703170 907962124 /nfs/dbraw/zinc/96/21/24/907962124.db2.gz HZCZWOKKMRPRBA-CQSZACIVSA-N 2 2 256.390 0.848 20 0 CCADLP C[C@@H](CC(=O)N1CC[C@H]([NH2+]CCCO)C1)n1cc[nH+]c1 ZINC001317063877 908952739 /nfs/dbraw/zinc/95/27/39/908952739.db2.gz LGOPWLMXJPOSBN-STQMWFEESA-N 2 2 280.372 0.407 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CCCF ZINC001317265057 909100662 /nfs/dbraw/zinc/10/06/62/909100662.db2.gz OYNCRXHMAFHISI-IJLUTSLNSA-N 2 2 282.363 0.978 20 0 CCADLP COCCCC[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001317527513 909295884 /nfs/dbraw/zinc/29/58/84/909295884.db2.gz DLJUYDSVJNYEBA-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP COCCCC[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001317527513 909295893 /nfs/dbraw/zinc/29/58/93/909295893.db2.gz DLJUYDSVJNYEBA-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[NH2+]C[C@@H]1CCOC1 ZINC001317644124 909437029 /nfs/dbraw/zinc/43/70/29/909437029.db2.gz SWXLGUXKDNKPGT-STQMWFEESA-N 2 2 294.399 0.673 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[NH2+]C[C@@H]1CCOC1 ZINC001317644124 909437039 /nfs/dbraw/zinc/43/70/39/909437039.db2.gz SWXLGUXKDNKPGT-STQMWFEESA-N 2 2 294.399 0.673 20 0 CCADLP CN(CC[NH2+]Cc1nccs1)C(=O)Cc1c[nH+]cn1C ZINC001317652642 909446510 /nfs/dbraw/zinc/44/65/10/909446510.db2.gz BGNTWEFPITYXBJ-UHFFFAOYSA-N 2 2 293.396 0.667 20 0 CCADLP CC(C)(O)C[C@H](O)C[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001338520056 921496641 /nfs/dbraw/zinc/49/66/41/921496641.db2.gz ISTALVZLBCWOSU-RYUDHWBXSA-N 2 2 258.406 0.971 20 0 CCADLP CC(C)(O)C[C@H](O)C[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001338520056 921496647 /nfs/dbraw/zinc/49/66/47/921496647.db2.gz ISTALVZLBCWOSU-RYUDHWBXSA-N 2 2 258.406 0.971 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCc1c[nH+]cn1C ZINC001388662022 909536878 /nfs/dbraw/zinc/53/68/78/909536878.db2.gz YMOHFDVHUPRVMN-JSGCOSHPSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)CCc1c[nH+]cn1C ZINC001388662022 909536889 /nfs/dbraw/zinc/53/68/89/909536889.db2.gz YMOHFDVHUPRVMN-JSGCOSHPSA-N 2 2 294.399 0.266 20 0 CCADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001318420778 909746565 /nfs/dbraw/zinc/74/65/65/909746565.db2.gz BFVJRQVOBOCSCY-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP CC[N@H+]1CC[C@@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001318420778 909746580 /nfs/dbraw/zinc/74/65/80/909746580.db2.gz BFVJRQVOBOCSCY-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CCF)C1)[NH+](C)C ZINC001318443316 909761083 /nfs/dbraw/zinc/76/10/83/909761083.db2.gz VTTUBDCIAQVNFM-VXGBXAGGSA-N 2 2 259.369 0.829 20 0 CCADLP CC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](CCF)C1)[NH+](C)C ZINC001318443316 909761098 /nfs/dbraw/zinc/76/10/98/909761098.db2.gz VTTUBDCIAQVNFM-VXGBXAGGSA-N 2 2 259.369 0.829 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC001417674473 921521090 /nfs/dbraw/zinc/52/10/90/921521090.db2.gz BLGIHAXPAMWWMP-UHFFFAOYSA-N 2 2 294.399 0.612 20 0 CCADLP C[C@@H](C(=O)N(C)[C@@H]1CCC[N@H+](C)C1)n1cc[nH+]c1 ZINC001319065979 909974739 /nfs/dbraw/zinc/97/47/39/909974739.db2.gz RTAALDINNZKZSR-NWDGAFQWSA-N 2 2 250.346 0.997 20 0 CCADLP NC(=O)N1CCC([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC001319206681 910037325 /nfs/dbraw/zinc/03/73/25/910037325.db2.gz HKWIGROSVMKCKX-CYBMUJFWSA-N 2 2 266.389 0.603 20 0 CCADLP NC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001319206681 910037338 /nfs/dbraw/zinc/03/73/38/910037338.db2.gz HKWIGROSVMKCKX-CYBMUJFWSA-N 2 2 266.389 0.603 20 0 CCADLP CN(CCC1CC1)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001338689123 921546014 /nfs/dbraw/zinc/54/60/14/921546014.db2.gz YUHXLYXKRGQSSF-UHFFFAOYSA-N 2 2 268.405 0.851 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001390136696 910239181 /nfs/dbraw/zinc/23/91/81/910239181.db2.gz VBJYDQWNMZPSFY-CHWSQXEVSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@@H](O)C[N@H+]1CCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001390136696 910239197 /nfs/dbraw/zinc/23/91/97/910239197.db2.gz VBJYDQWNMZPSFY-CHWSQXEVSA-N 2 2 280.372 0.235 20 0 CCADLP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)CS(C)(=O)=O)C1 ZINC001319799558 910296852 /nfs/dbraw/zinc/29/68/52/910296852.db2.gz XOECIWJTYSZZAL-NWDGAFQWSA-N 2 2 262.419 0.741 20 0 CCADLP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CS(C)(=O)=O)C1 ZINC001319799558 910296865 /nfs/dbraw/zinc/29/68/65/910296865.db2.gz XOECIWJTYSZZAL-NWDGAFQWSA-N 2 2 262.419 0.741 20 0 CCADLP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cnon2)C1 ZINC001390564998 910520683 /nfs/dbraw/zinc/52/06/83/910520683.db2.gz IEBOIQKAOPKADJ-NSHDSACASA-N 2 2 281.360 0.102 20 0 CCADLP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2cnon2)C1 ZINC001390564998 910520692 /nfs/dbraw/zinc/52/06/92/910520692.db2.gz IEBOIQKAOPKADJ-NSHDSACASA-N 2 2 281.360 0.102 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H](O)C[NH2+]C/C=C\Cl ZINC001320226980 910539110 /nfs/dbraw/zinc/53/91/10/910539110.db2.gz JDWLLTIRTXHXBL-WYEHYUNLSA-N 2 2 286.763 0.162 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H](O)C[NH2+]C/C=C\Cl ZINC001320226980 910539123 /nfs/dbraw/zinc/53/91/23/910539123.db2.gz JDWLLTIRTXHXBL-WYEHYUNLSA-N 2 2 286.763 0.162 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001320675741 910792329 /nfs/dbraw/zinc/79/23/29/910792329.db2.gz OZWJVOAUAJUXRG-NSHDSACASA-N 2 2 250.346 0.373 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H]1CC[N@H+](CCCO)C1 ZINC001391623698 911267864 /nfs/dbraw/zinc/26/78/64/911267864.db2.gz QUSYKUXSHLLYPY-TZMCWYRMSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001391623698 911267879 /nfs/dbraw/zinc/26/78/79/911267879.db2.gz QUSYKUXSHLLYPY-TZMCWYRMSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H]1CC[N@H+](CCCO)C1 ZINC001391623698 911267894 /nfs/dbraw/zinc/26/78/94/911267894.db2.gz QUSYKUXSHLLYPY-TZMCWYRMSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001391623698 911267911 /nfs/dbraw/zinc/26/79/11/911267911.db2.gz QUSYKUXSHLLYPY-TZMCWYRMSA-N 2 2 294.399 0.503 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001321710842 911452063 /nfs/dbraw/zinc/45/20/63/911452063.db2.gz UTOBQPMZIALFNX-MNOVXSKESA-N 2 2 268.361 0.092 20 0 CCADLP CC[NH2+]C[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001321857630 911533942 /nfs/dbraw/zinc/53/39/42/911533942.db2.gz YDKIRJLCESIXSD-NSHDSACASA-N 2 2 264.373 0.876 20 0 CCADLP C[C@@H](F)CC[NH2+]C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001322002808 911618148 /nfs/dbraw/zinc/61/81/48/911618148.db2.gz OCXDUXRPVJNTSG-ZJUUUORDSA-N 2 2 256.325 0.795 20 0 CCADLP CN(CCC[NH2+]CC1CC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001322754800 911935307 /nfs/dbraw/zinc/93/53/07/911935307.db2.gz DEJSVFCZUSBBAY-UHFFFAOYSA-N 2 2 250.346 0.800 20 0 CCADLP CCc1nocc1C[NH2+]C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001392589717 911966311 /nfs/dbraw/zinc/96/63/11/911966311.db2.gz CQTBJCNRXVIIMH-JTQLQIEISA-N 2 2 291.355 0.797 20 0 CCADLP Cc1noc(C[NH2+]C[C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001392609334 911992547 /nfs/dbraw/zinc/99/25/47/911992547.db2.gz YVVXWCCANCMACP-JQWIXIFHSA-N 2 2 295.387 0.314 20 0 CCADLP Cc1noc(C[NH2+]C[C@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001392609334 911992562 /nfs/dbraw/zinc/99/25/62/911992562.db2.gz YVVXWCCANCMACP-JQWIXIFHSA-N 2 2 295.387 0.314 20 0 CCADLP C[C@H](C[N@H+](C)CC[C@H]1CCCO1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001392715992 912108769 /nfs/dbraw/zinc/10/87/69/912108769.db2.gz YJIYDHBTTZFRJN-CHWSQXEVSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H](C[N@@H+](C)CC[C@H]1CCCO1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001392715992 912108777 /nfs/dbraw/zinc/10/87/77/912108777.db2.gz YJIYDHBTTZFRJN-CHWSQXEVSA-N 2 2 294.399 0.958 20 0 CCADLP CCc1nnc(C[NH2+][C@H](C)CNC(=O)[C@@H](CC)[NH+](C)C)o1 ZINC001398982299 914980899 /nfs/dbraw/zinc/98/08/99/914980899.db2.gz PMJWSKRXISWMDY-GHMZBOCLSA-N 2 2 297.403 0.567 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH2+]Cc1nccs1 ZINC001399005532 914992303 /nfs/dbraw/zinc/99/23/03/914992303.db2.gz OEOOUCLAGOVXAR-JTQLQIEISA-N 2 2 293.396 0.943 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC001328399592 915169885 /nfs/dbraw/zinc/16/98/85/915169885.db2.gz HTAMMXMTBBAHBT-IFQILLTASA-N 2 2 291.355 0.382 20 0 CCADLP O=C(NCC[N@@H+](CCO)C1CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001400015294 915506655 /nfs/dbraw/zinc/50/66/55/915506655.db2.gz ITWBBNZPZFRANT-GFCCVEGCSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(NCC[N@H+](CCO)C1CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001400015294 915506677 /nfs/dbraw/zinc/50/66/77/915506677.db2.gz ITWBBNZPZFRANT-GFCCVEGCSA-N 2 2 292.383 0.018 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](C)C(C)(C)C1)n1cc[nH+]c1 ZINC001329066755 915638478 /nfs/dbraw/zinc/63/84/78/915638478.db2.gz QTPJFJFVXDYWPS-NSHDSACASA-N 2 2 250.346 0.997 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](C)C(C)(C)C1)n1cc[nH+]c1 ZINC001329066755 915638483 /nfs/dbraw/zinc/63/84/83/915638483.db2.gz QTPJFJFVXDYWPS-NSHDSACASA-N 2 2 250.346 0.997 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CCCC[C@@H]2[NH3+])CCO1 ZINC001329569217 916021745 /nfs/dbraw/zinc/02/17/45/916021745.db2.gz NDQOSUVDTXSRRN-AGIUHOORSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CCCC[C@@H]2[NH3+])CCO1 ZINC001329569217 916021762 /nfs/dbraw/zinc/02/17/62/916021762.db2.gz NDQOSUVDTXSRRN-AGIUHOORSA-N 2 2 269.389 0.341 20 0 CCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC[NH+]1CC=CC1)CC2 ZINC001329648276 916095601 /nfs/dbraw/zinc/09/56/01/916095601.db2.gz QLDCIEXHTIANIC-ZDUSSCGKSA-N 2 2 274.368 0.742 20 0 CCADLP CCc1cnc(C[NH2+]C[C@@H](C)NC(=O)C[NH+]2CCCC2)o1 ZINC001401673083 916456759 /nfs/dbraw/zinc/45/67/59/916456759.db2.gz YLXSHVPLTANDAH-GFCCVEGCSA-N 2 2 294.399 0.927 20 0 CCADLP CCC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@H](C)C(=O)NC ZINC001401943977 916725073 /nfs/dbraw/zinc/72/50/73/916725073.db2.gz XTZBPJUZKXCWLW-CHWSQXEVSA-N 2 2 298.431 0.043 20 0 CCADLP CCC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]1[C@H](C)C(=O)NC ZINC001401943977 916725088 /nfs/dbraw/zinc/72/50/88/916725088.db2.gz XTZBPJUZKXCWLW-CHWSQXEVSA-N 2 2 298.431 0.043 20 0 CCADLP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)C(=O)NC ZINC001401943977 916725093 /nfs/dbraw/zinc/72/50/93/916725093.db2.gz XTZBPJUZKXCWLW-CHWSQXEVSA-N 2 2 298.431 0.043 20 0 CCADLP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1[C@H](C)C(=O)NC ZINC001401943977 916725104 /nfs/dbraw/zinc/72/51/04/916725104.db2.gz XTZBPJUZKXCWLW-CHWSQXEVSA-N 2 2 298.431 0.043 20 0 CCADLP CC(C)[C@@H](C(=O)N(C)C1C[NH+](CCCO)C1)[NH+](C)C ZINC001402015489 916758209 /nfs/dbraw/zinc/75/82/09/916758209.db2.gz CHJJPTMHCMWTOQ-ZDUSSCGKSA-N 2 2 271.405 0.098 20 0 CCADLP C[NH+](C)CCC(=O)NC1(C)CC[NH+](Cc2cnon2)CC1 ZINC001402081127 916797221 /nfs/dbraw/zinc/79/72/21/916797221.db2.gz OWUQPJWYUCAJLN-UHFFFAOYSA-N 2 2 295.387 0.492 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H](CNC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001402342427 916966745 /nfs/dbraw/zinc/96/67/45/916966745.db2.gz XFUXSPNFFUMDFE-YPMHNXCESA-N 2 2 280.372 0.138 20 0 CCADLP CC1CC(C[NH+]2CC(O)(CNC(=O)C[NH+]3CCCC3)C2)C1 ZINC001402391271 916993878 /nfs/dbraw/zinc/99/38/78/916993878.db2.gz ZHKRVTUJIDRTNA-UHFFFAOYSA-N 2 2 295.427 0.291 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H](C[N@H+](C)CCO)C1 ZINC001402411846 917003902 /nfs/dbraw/zinc/00/39/02/917003902.db2.gz XLAOVTDVTUELSO-CYBMUJFWSA-N 2 2 294.399 0.125 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H](C[N@@H+](C)CCO)C1 ZINC001402411846 917003918 /nfs/dbraw/zinc/00/39/18/917003918.db2.gz XLAOVTDVTUELSO-CYBMUJFWSA-N 2 2 294.399 0.125 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001402515056 917072333 /nfs/dbraw/zinc/07/23/33/917072333.db2.gz OPAJBURTCTZBOZ-RNJOBUHISA-N 2 2 280.372 0.452 20 0 CCADLP CN(C)C(=O)OCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC001331143034 917121245 /nfs/dbraw/zinc/12/12/45/917121245.db2.gz CUOQGULKINEMBD-NWDGAFQWSA-N 2 2 255.362 0.711 20 0 CCADLP CN(C)C(=O)OCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC001331143034 917121262 /nfs/dbraw/zinc/12/12/62/917121262.db2.gz CUOQGULKINEMBD-NWDGAFQWSA-N 2 2 255.362 0.711 20 0 CCADLP CN(C)C(=O)OCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001331143034 917121272 /nfs/dbraw/zinc/12/12/72/917121272.db2.gz CUOQGULKINEMBD-NWDGAFQWSA-N 2 2 255.362 0.711 20 0 CCADLP CN(C)C(=O)OCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC001331143034 917121280 /nfs/dbraw/zinc/12/12/80/917121280.db2.gz CUOQGULKINEMBD-NWDGAFQWSA-N 2 2 255.362 0.711 20 0 CCADLP CC[C@H](F)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001402608919 917124483 /nfs/dbraw/zinc/12/44/83/917124483.db2.gz SJDPQDPCOWDJKX-AAEUAGOBSA-N 2 2 298.362 0.517 20 0 CCADLP CC[C@@H](F)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001402608961 917124901 /nfs/dbraw/zinc/12/49/01/917124901.db2.gz SJDPQDPCOWDJKX-YPMHNXCESA-N 2 2 298.362 0.517 20 0 CCADLP CC(C)[NH2+]CC1(NC(=O)Cc2c[nH]c[nH+]2)CCOCC1 ZINC001402758589 917207079 /nfs/dbraw/zinc/20/70/79/917207079.db2.gz NEONTZTVNVKRQH-UHFFFAOYSA-N 2 2 280.372 0.616 20 0 CCADLP C[C@H](CN(C)C(=O)CCc1c[nH]c[nH+]1)[NH2+]C[C@H](C)O ZINC001331470541 917353921 /nfs/dbraw/zinc/35/39/21/917353921.db2.gz PRKHKYKFFMWJBC-MNOVXSKESA-N 2 2 268.361 0.160 20 0 CCADLP C[C@H](CN(C)C(=O)CCc1c[nH+]c[nH]1)[NH2+]C[C@H](C)O ZINC001331470541 917353935 /nfs/dbraw/zinc/35/39/35/917353935.db2.gz PRKHKYKFFMWJBC-MNOVXSKESA-N 2 2 268.361 0.160 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccon1 ZINC001402992518 917407254 /nfs/dbraw/zinc/40/72/54/917407254.db2.gz BRNKVYMJDYFNBL-NWDGAFQWSA-N 2 2 291.355 0.863 20 0 CCADLP CC(C)C[C@H](C(=O)NC[C@@H](C)[N@H+](C)CCO)n1cc[nH+]c1 ZINC001403136587 917523034 /nfs/dbraw/zinc/52/30/34/917523034.db2.gz WTVONGXNEKXJJO-ZIAGYGMSSA-N 2 2 296.415 0.899 20 0 CCADLP CC(C)C[C@H](C(=O)NC[C@@H](C)[N@@H+](C)CCO)n1cc[nH+]c1 ZINC001403136587 917523052 /nfs/dbraw/zinc/52/30/52/917523052.db2.gz WTVONGXNEKXJJO-ZIAGYGMSSA-N 2 2 296.415 0.899 20 0 CCADLP O=S1(=O)CC[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC001331966657 917762997 /nfs/dbraw/zinc/76/29/97/917762997.db2.gz YNONBJDWMGLBJF-GHMZBOCLSA-N 2 2 258.387 0.295 20 0 CCADLP CCOCCC[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC001332066461 917837176 /nfs/dbraw/zinc/83/71/76/917837176.db2.gz XGIBALVAIXMEQZ-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@H](CO)[NH2+]CC(C)C)c[nH+]1 ZINC001403681921 917919645 /nfs/dbraw/zinc/91/96/45/917919645.db2.gz ORPSVZMENKGHLW-CYBMUJFWSA-N 2 2 296.415 0.649 20 0 CCADLP COCCC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC001332219200 917965562 /nfs/dbraw/zinc/96/55/62/917965562.db2.gz NJXDEVCXUCQZJF-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP COCCC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC001332219200 917965578 /nfs/dbraw/zinc/96/55/78/917965578.db2.gz NJXDEVCXUCQZJF-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP CC(C)(O)C[C@H](O)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC001332288785 918026873 /nfs/dbraw/zinc/02/68/73/918026873.db2.gz VPHBNXHTHNYOLA-MNOVXSKESA-N 2 2 253.346 0.309 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC001332370009 918097481 /nfs/dbraw/zinc/09/74/81/918097481.db2.gz GEQLCTPJFVURFR-TXEJJXNPSA-N 2 2 262.357 0.706 20 0 CCADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CC[NH+](CCCO)CC1 ZINC001403981933 918151811 /nfs/dbraw/zinc/15/18/11/918151811.db2.gz OZNXLCXNZAODQV-CYBMUJFWSA-N 2 2 294.399 0.482 20 0 CCADLP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@H+](Cc2cnon2)C1 ZINC001404099997 918205062 /nfs/dbraw/zinc/20/50/62/918205062.db2.gz FVXBSUGCHNXEGT-GFCCVEGCSA-N 2 2 293.371 0.104 20 0 CCADLP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001404099997 918205074 /nfs/dbraw/zinc/20/50/74/918205074.db2.gz FVXBSUGCHNXEGT-GFCCVEGCSA-N 2 2 293.371 0.104 20 0 CCADLP C[C@H]([NH2+]CCN(C)C(=O)C[NH+]1CCCC1)c1ncccn1 ZINC001404334116 918311575 /nfs/dbraw/zinc/31/15/75/918311575.db2.gz RXYQBNNJQUYLRA-ZDUSSCGKSA-N 2 2 291.399 0.681 20 0 CCADLP Cn1c[nH+]cc1CCCN1CC[NH+](CCCCO)CC1 ZINC001332841526 918474164 /nfs/dbraw/zinc/47/41/64/918474164.db2.gz KMLLVTDUJAEDSC-UHFFFAOYSA-N 2 2 280.416 0.743 20 0 CCADLP Cc1ncc(C[NH+]2CC(CNC(=O)CCC[NH+](C)C)C2)o1 ZINC001404902863 918509673 /nfs/dbraw/zinc/50/96/73/918509673.db2.gz JALOTEAAFGGLHG-UHFFFAOYSA-N 2 2 294.399 0.873 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001332976165 918571450 /nfs/dbraw/zinc/57/14/50/918571450.db2.gz NGAWNLNCIYLPPS-DDHJBXDOSA-N 2 2 260.341 0.724 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001332976165 918571463 /nfs/dbraw/zinc/57/14/63/918571463.db2.gz NGAWNLNCIYLPPS-DDHJBXDOSA-N 2 2 260.341 0.724 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001405122090 918613932 /nfs/dbraw/zinc/61/39/32/918613932.db2.gz LMGZBWILJJXZCE-OCCSQVGLSA-N 2 2 294.399 0.910 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001405122090 918613947 /nfs/dbraw/zinc/61/39/47/918613947.db2.gz LMGZBWILJJXZCE-OCCSQVGLSA-N 2 2 294.399 0.910 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001405122090 918613957 /nfs/dbraw/zinc/61/39/57/918613957.db2.gz LMGZBWILJJXZCE-OCCSQVGLSA-N 2 2 294.399 0.910 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001405122090 918613966 /nfs/dbraw/zinc/61/39/66/918613966.db2.gz LMGZBWILJJXZCE-OCCSQVGLSA-N 2 2 294.399 0.910 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@H](C)C[NH2+]C[C@@H](C)O)c[nH+]1 ZINC001405664534 918853521 /nfs/dbraw/zinc/85/35/21/918853521.db2.gz JUVUFEQUGBOGOL-DGCLKSJQSA-N 2 2 296.415 0.649 20 0 CCADLP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1csnn1)[NH+](C)C ZINC001405832388 918935548 /nfs/dbraw/zinc/93/55/48/918935548.db2.gz LOSJAPOLEAGJNZ-CMPLNLGQSA-N 2 2 299.444 0.815 20 0 CCADLP CN(CC[N@H+](C)CCCO)C(=O)c1cccc2[nH+]ccn21 ZINC001406114446 919057637 /nfs/dbraw/zinc/05/76/37/919057637.db2.gz KNGIOHUHVIXGEV-UHFFFAOYSA-N 2 2 290.367 0.721 20 0 CCADLP CN(CC[N@@H+](C)CCCO)C(=O)c1cccc2[nH+]ccn21 ZINC001406114446 919057650 /nfs/dbraw/zinc/05/76/50/919057650.db2.gz KNGIOHUHVIXGEV-UHFFFAOYSA-N 2 2 290.367 0.721 20 0 CCADLP C[C@@H](CNC(=O)c1ncoc1C[NH3+])Cn1cc[nH+]c1 ZINC001333631669 919058364 /nfs/dbraw/zinc/05/83/64/919058364.db2.gz SZZDKLQYYRZTFS-VIFPVBQESA-N 2 2 263.301 0.396 20 0 CCADLP CO[C@@H](C)C[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001406956673 919557340 /nfs/dbraw/zinc/55/73/40/919557340.db2.gz NSBOURUVZMLXMS-LBPRGKRZSA-N 2 2 280.372 0.547 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH2+]Cc3cnon3)CC2)C1 ZINC001406963160 919560433 /nfs/dbraw/zinc/56/04/33/919560433.db2.gz SRLLEIDECGHXCW-LLVKDONJSA-N 2 2 293.371 0.150 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NCC2([NH2+]Cc3cnon3)CC2)C1 ZINC001406963160 919560438 /nfs/dbraw/zinc/56/04/38/919560438.db2.gz SRLLEIDECGHXCW-LLVKDONJSA-N 2 2 293.371 0.150 20 0 CCADLP CN(CCC[N@H+](C)Cc1cn(C)nn1)C(=O)CC[NH+](C)C ZINC001407936233 919963519 /nfs/dbraw/zinc/96/35/19/919963519.db2.gz ZHCXCOZNOABRBW-UHFFFAOYSA-N 2 2 296.419 0.047 20 0 CCADLP CN(CCC[N@@H+](C)Cc1cn(C)nn1)C(=O)CC[NH+](C)C ZINC001407936233 919963528 /nfs/dbraw/zinc/96/35/28/919963528.db2.gz ZHCXCOZNOABRBW-UHFFFAOYSA-N 2 2 296.419 0.047 20 0 CCADLP CCN(CCC[NH+](C)C)C(=O)NCCc1cn(C)c[nH+]1 ZINC001414666081 920456575 /nfs/dbraw/zinc/45/65/75/920456575.db2.gz ZPONWYPBXOJQAN-UHFFFAOYSA-N 2 2 281.404 0.946 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1Cc2c[nH+]cn2C1)CC1(O)CCCC1 ZINC001336033542 920575194 /nfs/dbraw/zinc/57/51/94/920575194.db2.gz CBEBLFSWPHXBDE-DGCLKSJQSA-N 2 2 265.357 0.454 20 0 CCADLP C[C@H](C[NH2+]C[C@@H](C)S(C)(=O)=O)Cn1cc[nH+]c1 ZINC001336764375 920987788 /nfs/dbraw/zinc/98/77/88/920987788.db2.gz XHRQBRKWAZBMLQ-GHMZBOCLSA-N 2 2 259.375 0.542 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)NOCCC(F)(F)F)CC1 ZINC001336859326 921064943 /nfs/dbraw/zinc/06/49/43/921064943.db2.gz QJNOADDPCKAMFJ-UHFFFAOYSA-N 2 2 298.309 0.593 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)C[C@@H]([NH3+])C(F)F)C[N@@H+]1C1CC1 ZINC001340111427 921961550 /nfs/dbraw/zinc/96/15/50/921961550.db2.gz BYCPMGHFVDUZPX-KHQFGBGNSA-N 2 2 261.316 0.710 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)C[C@@H]([NH3+])C(F)F)C[N@H+]1C1CC1 ZINC001340111427 921961560 /nfs/dbraw/zinc/96/15/60/921961560.db2.gz BYCPMGHFVDUZPX-KHQFGBGNSA-N 2 2 261.316 0.710 20 0 CCADLP C[C@H](C(=O)N1CCC[C@@H]1C[NH+](C)C)n1cc[nH+]c1 ZINC001340235166 922019924 /nfs/dbraw/zinc/01/99/24/922019924.db2.gz ANSCSOYGOCVFQC-VXGBXAGGSA-N 2 2 250.346 0.997 20 0 CCADLP C[C@H](C(=O)N1CCC[C@H]1C[NH+](C)C)n1cc[nH+]c1 ZINC001340235160 922020401 /nfs/dbraw/zinc/02/04/01/922020401.db2.gz ANSCSOYGOCVFQC-NEPJUHHUSA-N 2 2 250.346 0.997 20 0 CCADLP CC[C@H](C(=O)NCC1=CC[NH2+]CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC001340282214 922037141 /nfs/dbraw/zinc/03/71/41/922037141.db2.gz QFZWQARUFFGEAS-LSDHHAIUSA-N 2 2 295.427 0.912 20 0 CCADLP CC[C@H](C(=O)NCC1=CC[NH2+]CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC001340282214 922037151 /nfs/dbraw/zinc/03/71/51/922037151.db2.gz QFZWQARUFFGEAS-LSDHHAIUSA-N 2 2 295.427 0.912 20 0 CCADLP C[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C[C@H]1C[C@]12CCOC2 ZINC001418499011 922188158 /nfs/dbraw/zinc/18/81/58/922188158.db2.gz OXSFLMMNAZCFIG-DOMZBBRYSA-N 2 2 292.383 0.427 20 0 CCADLP C[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C[C@H]1C[C@]12CCOC2 ZINC001418499011 922188173 /nfs/dbraw/zinc/18/81/73/922188173.db2.gz OXSFLMMNAZCFIG-DOMZBBRYSA-N 2 2 292.383 0.427 20 0 CCADLP COC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001418507612 922197935 /nfs/dbraw/zinc/19/79/35/922197935.db2.gz WIICWYGFZFICJU-NWDGAFQWSA-N 2 2 282.388 0.671 20 0 CCADLP COC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001418507612 922197951 /nfs/dbraw/zinc/19/79/51/922197951.db2.gz WIICWYGFZFICJU-NWDGAFQWSA-N 2 2 282.388 0.671 20 0 CCADLP COC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001418507612 922197971 /nfs/dbraw/zinc/19/79/71/922197971.db2.gz WIICWYGFZFICJU-NWDGAFQWSA-N 2 2 282.388 0.671 20 0 CCADLP COC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001418507612 922197975 /nfs/dbraw/zinc/19/79/75/922197975.db2.gz WIICWYGFZFICJU-NWDGAFQWSA-N 2 2 282.388 0.671 20 0 CCADLP CCc1nocc1C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001418518762 922211668 /nfs/dbraw/zinc/21/16/68/922211668.db2.gz HSSMPSLVALIKHC-GFCCVEGCSA-N 2 2 294.399 0.737 20 0 CCADLP CCc1nocc1C[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001418518762 922211682 /nfs/dbraw/zinc/21/16/82/922211682.db2.gz HSSMPSLVALIKHC-GFCCVEGCSA-N 2 2 294.399 0.737 20 0 CCADLP CCc1nocc1C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001418518762 922211696 /nfs/dbraw/zinc/21/16/96/922211696.db2.gz HSSMPSLVALIKHC-GFCCVEGCSA-N 2 2 294.399 0.737 20 0 CCADLP CCc1nocc1C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001418518762 922211701 /nfs/dbraw/zinc/21/17/01/922211701.db2.gz HSSMPSLVALIKHC-GFCCVEGCSA-N 2 2 294.399 0.737 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001418603071 922298647 /nfs/dbraw/zinc/29/86/47/922298647.db2.gz BWRIQKWAPHAOGD-WCQYABFASA-N 2 2 294.399 0.828 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001418603071 922298658 /nfs/dbraw/zinc/29/86/58/922298658.db2.gz BWRIQKWAPHAOGD-WCQYABFASA-N 2 2 294.399 0.828 20 0 CCADLP CO[C@H]1CCC[C@H]1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001341057468 922329127 /nfs/dbraw/zinc/32/91/27/922329127.db2.gz VAWKLNTXFBDUOE-OLZOCXBDSA-N 2 2 269.389 0.341 20 0 CCADLP C[N@H+](CCO)C[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001418816867 922436011 /nfs/dbraw/zinc/43/60/11/922436011.db2.gz HEAAIHOLJWGDAP-AWEZNQCLSA-N 2 2 294.399 0.648 20 0 CCADLP C[N@@H+](CCO)C[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001418816867 922436019 /nfs/dbraw/zinc/43/60/19/922436019.db2.gz HEAAIHOLJWGDAP-AWEZNQCLSA-N 2 2 294.399 0.648 20 0 CCADLP C[N@H+](CCO)C[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001418816867 922436023 /nfs/dbraw/zinc/43/60/23/922436023.db2.gz HEAAIHOLJWGDAP-AWEZNQCLSA-N 2 2 294.399 0.648 20 0 CCADLP C[N@@H+](CCO)C[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001418816867 922436030 /nfs/dbraw/zinc/43/60/30/922436030.db2.gz HEAAIHOLJWGDAP-AWEZNQCLSA-N 2 2 294.399 0.648 20 0 CCADLP C[C@H]([NH2+]CCO)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001418850742 922450167 /nfs/dbraw/zinc/45/01/67/922450167.db2.gz XTDXFPYSRFUKMU-NSHDSACASA-N 2 2 280.372 0.161 20 0 CCADLP CC[NH+](CC)C[C@H](F)C(=O)NC1C[NH+](C[C@@H](C)OC)C1 ZINC001418967504 922523983 /nfs/dbraw/zinc/52/39/83/922523983.db2.gz FGMAPJCQENPXPF-YPMHNXCESA-N 2 2 289.395 0.502 20 0 CCADLP [NH3+]CCNCC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC001341629432 922590662 /nfs/dbraw/zinc/59/06/62/922590662.db2.gz FXBPPGUWXIOLFS-UHFFFAOYSA-N 2 2 297.428 0.616 20 0 CCADLP C[N@H+]1CC=C(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001341816829 922685693 /nfs/dbraw/zinc/68/56/93/922685693.db2.gz ZTHCTMHLBDXVAV-ZDUSSCGKSA-N 2 2 274.368 0.824 20 0 CCADLP C[N@@H+]1CC=C(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001341816829 922685701 /nfs/dbraw/zinc/68/57/01/922685701.db2.gz ZTHCTMHLBDXVAV-ZDUSSCGKSA-N 2 2 274.368 0.824 20 0 CCADLP CCN(C(=O)CCc1c[nH]c[nH+]1)[C@H]1CC[N@H+](CCO)C1 ZINC001419169645 922685993 /nfs/dbraw/zinc/68/59/93/922685993.db2.gz VMAOADVDLGSVOO-ZDUSSCGKSA-N 2 2 280.372 0.257 20 0 CCADLP CCN(C(=O)CCc1c[nH]c[nH+]1)[C@H]1CC[N@@H+](CCO)C1 ZINC001419169645 922686010 /nfs/dbraw/zinc/68/60/10/922686010.db2.gz VMAOADVDLGSVOO-ZDUSSCGKSA-N 2 2 280.372 0.257 20 0 CCADLP CCN(C(=O)CCc1c[nH+]c[nH]1)[C@H]1CC[N@H+](CCO)C1 ZINC001419169645 922686016 /nfs/dbraw/zinc/68/60/16/922686016.db2.gz VMAOADVDLGSVOO-ZDUSSCGKSA-N 2 2 280.372 0.257 20 0 CCADLP CCN(C(=O)CCc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CCO)C1 ZINC001419169645 922686024 /nfs/dbraw/zinc/68/60/24/922686024.db2.gz VMAOADVDLGSVOO-ZDUSSCGKSA-N 2 2 280.372 0.257 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC001341973943 922745523 /nfs/dbraw/zinc/74/55/23/922745523.db2.gz IPGDNCIZLSAPJP-MIMYLULJSA-N 2 2 250.346 0.830 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC001341973943 922745541 /nfs/dbraw/zinc/74/55/41/922745541.db2.gz IPGDNCIZLSAPJP-MIMYLULJSA-N 2 2 250.346 0.830 20 0 CCADLP C[C@@H]1C[C@H](C)N(C(=O)C[C@H]([NH3+])C(F)F)C[C@H]1C[NH3+] ZINC001341974552 922746530 /nfs/dbraw/zinc/74/65/30/922746530.db2.gz LHEHXIBIQHDCGZ-RGOKHQFPSA-N 2 2 263.332 0.801 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC001341973941 922747145 /nfs/dbraw/zinc/74/71/45/922747145.db2.gz IPGDNCIZLSAPJP-IEBDPFPHSA-N 2 2 250.346 0.830 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC001341973941 922747155 /nfs/dbraw/zinc/74/71/55/922747155.db2.gz IPGDNCIZLSAPJP-IEBDPFPHSA-N 2 2 250.346 0.830 20 0 CCADLP CC(C)[NH2+]C[C@@](C)(NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001419339901 922775972 /nfs/dbraw/zinc/77/59/72/922775972.db2.gz NEMREUDZWVYINJ-DZGCQCFKSA-N 2 2 283.416 0.600 20 0 CCADLP CC(C)[NH2+]C[C@@](C)(NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001419339901 922775987 /nfs/dbraw/zinc/77/59/87/922775987.db2.gz NEMREUDZWVYINJ-DZGCQCFKSA-N 2 2 283.416 0.600 20 0 CCADLP CCc1[nH+]ccn1CCNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC001419413912 922817636 /nfs/dbraw/zinc/81/76/36/922817636.db2.gz SLHIYWMVUDJRGI-FZMZJTMJSA-N 2 2 280.372 0.017 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCCC[N@H+]1C[C@@H](C)O ZINC001419605132 922945956 /nfs/dbraw/zinc/94/59/56/922945956.db2.gz AGOLVJOOLPQLTC-DGCLKSJQSA-N 2 2 294.399 0.612 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H](C)O ZINC001419605132 922945966 /nfs/dbraw/zinc/94/59/66/922945966.db2.gz AGOLVJOOLPQLTC-DGCLKSJQSA-N 2 2 294.399 0.612 20 0 CCADLP CCc1noc(C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C)n1 ZINC001419712421 923021292 /nfs/dbraw/zinc/02/12/92/923021292.db2.gz NYBSZYTUBGFUFR-NSHDSACASA-N 2 2 297.403 0.520 20 0 CCADLP C[NH2+]CCN(C(=O)c1n[nH]c2c1C[NH2+]CC2)C(C)C ZINC001342613350 923027227 /nfs/dbraw/zinc/02/72/27/923027227.db2.gz MXOGNPSGWFMUHH-UHFFFAOYSA-N 2 2 265.361 0.125 20 0 CCADLP C[C@H](C[NH2+]C[C@H](C)O)N(C)C(=O)CCc1c[nH+]cn1C ZINC001419737450 923054790 /nfs/dbraw/zinc/05/47/90/923054790.db2.gz GKILIZDBLDPFHR-NEPJUHHUSA-N 2 2 282.388 0.170 20 0 CCADLP O=C(N[C@H]1C[NH2+]CC12CC2)[C@@H]1CCn2cc[nH+]c2C1 ZINC001342866544 923116644 /nfs/dbraw/zinc/11/66/44/923116644.db2.gz VHSWYRXHLYNOOF-MNOVXSKESA-N 2 2 260.341 0.314 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+]C[C@H]1CCOC1 ZINC001419910936 923160155 /nfs/dbraw/zinc/16/01/55/923160155.db2.gz UYMIDSUOTUTBNU-ZYHUDNBSSA-N 2 2 280.372 0.391 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC001343123112 923209155 /nfs/dbraw/zinc/20/91/55/923209155.db2.gz ZAULJQRXLGLGHF-KKJSVHSVSA-N 2 2 260.341 0.851 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC001343123112 923209166 /nfs/dbraw/zinc/20/91/66/923209166.db2.gz ZAULJQRXLGLGHF-KKJSVHSVSA-N 2 2 260.341 0.851 20 0 CCADLP CO[C@H](C)C[N@@H+](C)CCN(C)C(=O)CCc1[nH+]ccn1C ZINC001419985102 923213642 /nfs/dbraw/zinc/21/36/42/923213642.db2.gz PSPKWJGOTZJROZ-CYBMUJFWSA-N 2 2 296.415 0.778 20 0 CCADLP C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC1CCOCC1 ZINC001420149611 923348589 /nfs/dbraw/zinc/34/85/89/923348589.db2.gz HMYPASJPBBYQAQ-LBPRGKRZSA-N 2 2 294.399 0.863 20 0 CCADLP CC(C)C[NH2+]C[C@H](O)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001420178261 923373191 /nfs/dbraw/zinc/37/31/91/923373191.db2.gz LXGBSAYDDLPYBA-STQMWFEESA-N 2 2 282.388 0.557 20 0 CCADLP [NH3+][C@@H](CC(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1)C(F)F ZINC001343715133 923438761 /nfs/dbraw/zinc/43/87/61/923438761.db2.gz SNEYOAOCKAVNGQ-BDAKNGLRSA-N 2 2 261.316 0.760 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]([NH3+])CC1CC1 ZINC001343737611 923454498 /nfs/dbraw/zinc/45/44/98/923454498.db2.gz XGXDOCPSCJPAHK-YPMHNXCESA-N 2 2 269.389 0.293 20 0 CCADLP Cc1nocc1C[N@@H+](C)CCNC(=O)CCC[NH+](C)C ZINC001420296221 923511421 /nfs/dbraw/zinc/51/14/21/923511421.db2.gz WLJOOKFWWLHGKB-UHFFFAOYSA-N 2 2 282.388 0.873 20 0 CCADLP Cc1nocc1C[N@H+](C)CCNC(=O)CCC[NH+](C)C ZINC001420296221 923511430 /nfs/dbraw/zinc/51/14/30/923511430.db2.gz WLJOOKFWWLHGKB-UHFFFAOYSA-N 2 2 282.388 0.873 20 0 CCADLP CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@H](C)c1nnc(C)o1)[NH+](C)C ZINC001420345880 923562865 /nfs/dbraw/zinc/56/28/65/923562865.db2.gz UHMZERSAWQQSLW-FOGDFJRCSA-N 2 2 297.403 0.874 20 0 CCADLP CCn1nncc1C[N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001420614002 923822904 /nfs/dbraw/zinc/82/29/04/923822904.db2.gz GPEPSJYAZVYCEL-LBPRGKRZSA-N 2 2 296.419 0.186 20 0 CCADLP CCn1nncc1C[N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001420614002 923822914 /nfs/dbraw/zinc/82/29/14/923822914.db2.gz GPEPSJYAZVYCEL-LBPRGKRZSA-N 2 2 296.419 0.186 20 0 CCADLP CN1CCN(C(=O)c2coc(C[NH3+])c2)CC[N@H+](C)CC1 ZINC001345454226 923897152 /nfs/dbraw/zinc/89/71/52/923897152.db2.gz SPKPDSZRVQANCL-UHFFFAOYSA-N 2 2 280.372 0.058 20 0 CCADLP CN1CCN(C(=O)c2coc(C[NH3+])c2)CC[N@@H+](C)CC1 ZINC001345454226 923897156 /nfs/dbraw/zinc/89/71/56/923897156.db2.gz SPKPDSZRVQANCL-UHFFFAOYSA-N 2 2 280.372 0.058 20 0 CCADLP CC[C@@H](C(=O)N(C)C1C[NH+](CCO)C1)[NH+](CC)CC ZINC001421075205 924137004 /nfs/dbraw/zinc/13/70/04/924137004.db2.gz WLCMOQZAYKJHJM-ZDUSSCGKSA-N 2 2 271.405 0.242 20 0 CCADLP CC[C@@H](C[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1)OC ZINC001421138242 924175609 /nfs/dbraw/zinc/17/56/09/924175609.db2.gz KZXBXKUMRVZIFJ-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001421135709 924175778 /nfs/dbraw/zinc/17/57/78/924175778.db2.gz FSOJUBICZJWMMI-CHWSQXEVSA-N 2 2 280.372 0.499 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCCC[NH2+]C ZINC001346464073 924226164 /nfs/dbraw/zinc/22/61/64/924226164.db2.gz RJDUOYSBUMNXDO-LBPRGKRZSA-N 2 2 272.393 0.006 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001348079995 924591087 /nfs/dbraw/zinc/59/10/87/924591087.db2.gz KLIOAAVQGYNYPD-LBPRGKRZSA-N 2 2 264.373 0.763 20 0 CCADLP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)/C=C/C[NH+]3CCOCC3)[C@H]2C1 ZINC001348223504 924623022 /nfs/dbraw/zinc/62/30/22/924623022.db2.gz DOLYZWJJICTHSP-MFUPNPBTSA-N 2 2 293.411 0.331 20 0 CCADLP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)/C=C/C[NH+]3CCOCC3)[C@H]2C1 ZINC001348223504 924623029 /nfs/dbraw/zinc/62/30/29/924623029.db2.gz DOLYZWJJICTHSP-MFUPNPBTSA-N 2 2 293.411 0.331 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC001349598648 925000952 /nfs/dbraw/zinc/00/09/52/925000952.db2.gz BCLCZBPTSJNKNG-GRYCIOLGSA-N 2 2 269.389 0.197 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC001349598648 925000959 /nfs/dbraw/zinc/00/09/59/925000959.db2.gz BCLCZBPTSJNKNG-GRYCIOLGSA-N 2 2 269.389 0.197 20 0 CCADLP C=CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001356508589 926395918 /nfs/dbraw/zinc/39/59/18/926395918.db2.gz ACYYRXDECPGEEC-ZDUSSCGKSA-N 2 2 251.374 0.799 20 0 CCADLP C=CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001356508589 926395926 /nfs/dbraw/zinc/39/59/26/926395926.db2.gz ACYYRXDECPGEEC-ZDUSSCGKSA-N 2 2 251.374 0.799 20 0 CCADLP C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1CC[NH3+] ZINC001357801243 926599458 /nfs/dbraw/zinc/59/94/58/926599458.db2.gz FKHBPAJBGFIUQN-QWRGUYRKSA-N 2 2 250.346 0.928 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC001358111440 926639824 /nfs/dbraw/zinc/63/98/24/926639824.db2.gz MGXNYMNCPBBLFK-CYBMUJFWSA-N 3 2 268.405 0.058 20 0 CCADLP CC(=O)NCC[NH+]1CCC([NH2+]C[C@H]2CCCCO2)CC1 ZINC001421570538 926800779 /nfs/dbraw/zinc/80/07/79/926800779.db2.gz BPESUBXDRBWQPI-OAHLLOKOSA-N 2 2 283.416 0.746 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC001414029537 926868295 /nfs/dbraw/zinc/86/82/95/926868295.db2.gz PMXDFKHMZBEKAH-GUTXKFCHSA-N 2 2 295.383 0.519 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC001414029537 926868302 /nfs/dbraw/zinc/86/83/02/926868302.db2.gz PMXDFKHMZBEKAH-GUTXKFCHSA-N 2 2 295.383 0.519 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001422216556 927151040 /nfs/dbraw/zinc/15/10/40/927151040.db2.gz KAPBEVNOPVLSCC-OLZOCXBDSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@@H]1CC[C@H](C[N@H+](C)CCN(C)C(=O)Cn2cc[nH+]c2)O1 ZINC001422248452 927173311 /nfs/dbraw/zinc/17/33/11/927173311.db2.gz PSHLBVZJCVJUQB-ZIAGYGMSSA-N 2 2 294.399 0.841 20 0 CCADLP C[C@@H]1CC[C@H](C[N@@H+](C)CCN(C)C(=O)Cn2cc[nH+]c2)O1 ZINC001422248452 927173313 /nfs/dbraw/zinc/17/33/13/927173313.db2.gz PSHLBVZJCVJUQB-ZIAGYGMSSA-N 2 2 294.399 0.841 20 0 CCADLP CC(C)[NH2+]C[C@@H](O)CNC(=O)c1cccc2[nH+]ccn21 ZINC001422336151 927229234 /nfs/dbraw/zinc/22/92/34/927229234.db2.gz UKSAJPUREWWOCM-LLVKDONJSA-N 2 2 276.340 0.423 20 0 CCADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1nccn1C ZINC001422443333 927281266 /nfs/dbraw/zinc/28/12/66/927281266.db2.gz XRBJVPRWXUXJNJ-NWDGAFQWSA-N 2 2 290.371 0.300 20 0 CCADLP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH+](C)C/C=C/Cl ZINC001422489301 927309623 /nfs/dbraw/zinc/30/96/23/927309623.db2.gz TXCBKTAVMPRSBZ-GKUNOOHESA-N 2 2 289.807 0.506 20 0 CCADLP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH+](C)C/C=C/Cl ZINC001422489301 927309634 /nfs/dbraw/zinc/30/96/34/927309634.db2.gz TXCBKTAVMPRSBZ-GKUNOOHESA-N 2 2 289.807 0.506 20 0 CCADLP C[C@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@H+](C)C/C=C/Cl ZINC001422489301 927309650 /nfs/dbraw/zinc/30/96/50/927309650.db2.gz TXCBKTAVMPRSBZ-GKUNOOHESA-N 2 2 289.807 0.506 20 0 CCADLP C[C@H](CNC(=O)[C@H]1C[NH+](C)CCO1)[N@@H+](C)C/C=C/Cl ZINC001422489301 927309663 /nfs/dbraw/zinc/30/96/63/927309663.db2.gz TXCBKTAVMPRSBZ-GKUNOOHESA-N 2 2 289.807 0.506 20 0 CCADLP C[C@H](C[NH2+]Cc1csnn1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001422487882 927311127 /nfs/dbraw/zinc/31/11/27/927311127.db2.gz LSBYTOLCZOBPNH-CKYFFXLPSA-N 2 2 297.428 0.473 20 0 CCADLP C[C@H](C[NH2+]Cc1csnn1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001422487882 927311137 /nfs/dbraw/zinc/31/11/37/927311137.db2.gz LSBYTOLCZOBPNH-CKYFFXLPSA-N 2 2 297.428 0.473 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001422643608 927432091 /nfs/dbraw/zinc/43/20/91/927432091.db2.gz TVQCZJGQHOKTQN-CQSZACIVSA-N 2 2 297.443 0.824 20 0 CCADLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1C[NH+](CCC[C@H](C)O)C1 ZINC001422742273 927485289 /nfs/dbraw/zinc/48/52/89/927485289.db2.gz UXLDKWDWURCVCK-NWDGAFQWSA-N 2 2 294.399 0.550 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1nonc1C ZINC001423164229 927703347 /nfs/dbraw/zinc/70/33/47/927703347.db2.gz SIKBOAFWODSVJP-LLVKDONJSA-N 2 2 297.403 0.656 20 0 CCADLP CC[N@@H+]1CC[C@H]1C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC001362190305 927712946 /nfs/dbraw/zinc/71/29/46/927712946.db2.gz QXSCTSYWTZOADS-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP CC[N@H+]1CC[C@H]1C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC001362190305 927712952 /nfs/dbraw/zinc/71/29/52/927712952.db2.gz QXSCTSYWTZOADS-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP CC[N@@H+]1CC[C@H]1C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC001362190305 927712953 /nfs/dbraw/zinc/71/29/53/927712953.db2.gz QXSCTSYWTZOADS-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP CC[N@H+]1CC[C@H]1C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC001362190305 927712962 /nfs/dbraw/zinc/71/29/62/927712962.db2.gz QXSCTSYWTZOADS-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP CC1CC(C[NH2+][C@@H](CO)CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001423296385 927796703 /nfs/dbraw/zinc/79/67/03/927796703.db2.gz NTPJMTRMUOFPCT-WXRRBKDZSA-N 2 2 294.399 0.075 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@@](C)(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001423599821 927937136 /nfs/dbraw/zinc/93/71/36/927937136.db2.gz SSGJOCYVGVDZHE-DZGCQCFKSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@@](C)(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001423599821 927937148 /nfs/dbraw/zinc/93/71/48/927937148.db2.gz SSGJOCYVGVDZHE-DZGCQCFKSA-N 2 2 294.399 0.625 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H](C[NH2+]CC(C)C)C1 ZINC001424245114 928133276 /nfs/dbraw/zinc/13/32/76/928133276.db2.gz WCWSNCUMAZQIJZ-ZDUSSCGKSA-N 2 2 294.399 0.734 20 0 CCADLP C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCCO)n1cc[nH+]c1 ZINC001362607133 928241577 /nfs/dbraw/zinc/24/15/77/928241577.db2.gz RPJGVLPSPKVYHN-STQMWFEESA-N 2 2 280.372 0.407 20 0 CCADLP C[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CCCO)n1cc[nH+]c1 ZINC001362607133 928241587 /nfs/dbraw/zinc/24/15/87/928241587.db2.gz RPJGVLPSPKVYHN-STQMWFEESA-N 2 2 280.372 0.407 20 0 CCADLP C[C@@H](O)C[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001424717286 928266533 /nfs/dbraw/zinc/26/65/33/928266533.db2.gz VAHWIRBHAIAQNS-YPMHNXCESA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001424717286 928266542 /nfs/dbraw/zinc/26/65/42/928266542.db2.gz VAHWIRBHAIAQNS-YPMHNXCESA-N 2 2 280.372 0.256 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH+](C)CCF)C1 ZINC001425073629 928424298 /nfs/dbraw/zinc/42/42/98/928424298.db2.gz SFWPCNNUDMTHIQ-NEPJUHHUSA-N 2 2 275.368 0.113 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH+](C)CCF)C1 ZINC001425073629 928424307 /nfs/dbraw/zinc/42/43/07/928424307.db2.gz SFWPCNNUDMTHIQ-NEPJUHHUSA-N 2 2 275.368 0.113 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](C)[N@H+](C)CCF)C1 ZINC001425073629 928424310 /nfs/dbraw/zinc/42/43/10/928424310.db2.gz SFWPCNNUDMTHIQ-NEPJUHHUSA-N 2 2 275.368 0.113 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](C)[N@@H+](C)CCF)C1 ZINC001425073629 928424312 /nfs/dbraw/zinc/42/43/12/928424312.db2.gz SFWPCNNUDMTHIQ-NEPJUHHUSA-N 2 2 275.368 0.113 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC1(CCO)C[NH+](CCCF)C1 ZINC001425137813 928444000 /nfs/dbraw/zinc/44/40/00/928444000.db2.gz YKOFRBXJYDYJRD-UHFFFAOYSA-N 2 2 289.395 0.239 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC1(CCO)C[NH+](CCCF)C1 ZINC001425137813 928444009 /nfs/dbraw/zinc/44/40/09/928444009.db2.gz YKOFRBXJYDYJRD-UHFFFAOYSA-N 2 2 289.395 0.239 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC001363203297 928972542 /nfs/dbraw/zinc/97/25/42/928972542.db2.gz GPWMAHYPKHSJIP-MGPQQGTHSA-N 2 2 295.427 0.696 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC001363203297 928972550 /nfs/dbraw/zinc/97/25/50/928972550.db2.gz GPWMAHYPKHSJIP-MGPQQGTHSA-N 2 2 295.427 0.696 20 0 CCADLP C[NH+](C)C[C@]1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001363518562 929321681 /nfs/dbraw/zinc/32/16/81/929321681.db2.gz SPRZUMXAFYUOCN-JTNHKYCSSA-N 2 2 278.356 0.038 20 0 CCADLP C[NH+](C)C[C@]1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001363518562 929321688 /nfs/dbraw/zinc/32/16/88/929321688.db2.gz SPRZUMXAFYUOCN-JTNHKYCSSA-N 2 2 278.356 0.038 20 0 CCADLP CCc1[nH]c(CNC(=O)c2ccnn2CC[NH+](C)C)c[nH+]1 ZINC001363627041 929428615 /nfs/dbraw/zinc/42/86/15/929428615.db2.gz FLOXGILHZSTHKS-UHFFFAOYSA-N 2 2 290.371 0.660 20 0 CCADLP CCc1[nH]cc(CNC(=O)c2ccnn2CC[NH+](C)C)[nH+]1 ZINC001363627041 929428626 /nfs/dbraw/zinc/42/86/26/929428626.db2.gz FLOXGILHZSTHKS-UHFFFAOYSA-N 2 2 290.371 0.660 20 0 CCADLP C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001363708255 929506406 /nfs/dbraw/zinc/50/64/06/929506406.db2.gz NAOKZUDFJMNTCL-SWLSCSKDSA-N 2 2 294.399 0.264 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)C[NH2+]CC1CCC1 ZINC001445260368 930079538 /nfs/dbraw/zinc/07/95/38/930079538.db2.gz XCTMMQAVKAHUGT-LBPRGKRZSA-N 2 2 280.372 0.127 20 0 CCADLP CC[C@@H](C(=O)NC1C[NH+](C[C@@H](C)O)C1)[NH+](CC)CC ZINC001373453832 930202704 /nfs/dbraw/zinc/20/27/04/930202704.db2.gz FDYRRHPKWKSKOD-YPMHNXCESA-N 2 2 271.405 0.288 20 0 CCADLP CC[C@H](C(=O)NCC1C[NH+](Cc2cc(C)no2)C1)[NH+](C)C ZINC001373517674 930228174 /nfs/dbraw/zinc/22/81/74/930228174.db2.gz UOVLGMPEJLPZJO-CQSZACIVSA-N 2 2 294.399 0.871 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[N@H+](C)CCCO)c[nH+]1 ZINC001445752709 930238562 /nfs/dbraw/zinc/23/85/62/930238562.db2.gz NFAXXWXGHVBSFR-ZDUSSCGKSA-N 2 2 296.415 0.746 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCO)c[nH+]1 ZINC001445752709 930238568 /nfs/dbraw/zinc/23/85/68/930238568.db2.gz NFAXXWXGHVBSFR-ZDUSSCGKSA-N 2 2 296.415 0.746 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC1C[NH+](C[C@@H]2CCOC2)C1 ZINC001373552100 930241118 /nfs/dbraw/zinc/24/11/18/930241118.db2.gz YYMNEFFIZVNCQZ-LBPRGKRZSA-N 2 2 292.383 0.047 20 0 CCADLP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](C[C@@H](C)OC)C1 ZINC001373709620 930306083 /nfs/dbraw/zinc/30/60/83/930306083.db2.gz UJDUVQLIDUQGGF-OCCSQVGLSA-N 2 2 294.399 0.910 20 0 CCADLP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](C[C@@H](C)OC)C1 ZINC001373709620 930306089 /nfs/dbraw/zinc/30/60/89/930306089.db2.gz UJDUVQLIDUQGGF-OCCSQVGLSA-N 2 2 294.399 0.910 20 0 CCADLP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](C[C@H](C)OC)C1 ZINC001373709616 930306806 /nfs/dbraw/zinc/30/68/06/930306806.db2.gz UJDUVQLIDUQGGF-GXTWGEPZSA-N 2 2 294.399 0.910 20 0 CCADLP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](C[C@H](C)OC)C1 ZINC001373709616 930306813 /nfs/dbraw/zinc/30/68/13/930306813.db2.gz UJDUVQLIDUQGGF-GXTWGEPZSA-N 2 2 294.399 0.910 20 0 CCADLP CCN(C(=O)CCc1c[nH+]cn1C)[C@@H]1CC[N@H+](CCO)C1 ZINC001373714083 930311120 /nfs/dbraw/zinc/31/11/20/930311120.db2.gz BQQJWSGLQPBNIE-CQSZACIVSA-N 2 2 294.399 0.268 20 0 CCADLP CCN(C(=O)CCc1c[nH+]cn1C)[C@@H]1CC[N@@H+](CCO)C1 ZINC001373714083 930311134 /nfs/dbraw/zinc/31/11/34/930311134.db2.gz BQQJWSGLQPBNIE-CQSZACIVSA-N 2 2 294.399 0.268 20 0 CCADLP CC[C@@H](C[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1)OC ZINC001374327010 930487964 /nfs/dbraw/zinc/48/79/64/930487964.db2.gz BFNHILLJYDDONB-OLZOCXBDSA-N 2 2 282.388 0.745 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CCO ZINC001374450540 930510187 /nfs/dbraw/zinc/51/01/87/930510187.db2.gz HINRFNUMFUEHQC-STQMWFEESA-N 2 2 294.399 0.168 20 0 CCADLP CC(C)C[N@@H+]1CCOC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001447143913 930575291 /nfs/dbraw/zinc/57/52/91/930575291.db2.gz SAOPWUJYSQFPNF-OAHLLOKOSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)C[N@H+]1CCOC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001447143913 930575308 /nfs/dbraw/zinc/57/53/08/930575308.db2.gz SAOPWUJYSQFPNF-OAHLLOKOSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)C[NH+]1CCOC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001447143913 930575311 /nfs/dbraw/zinc/57/53/11/930575311.db2.gz SAOPWUJYSQFPNF-OAHLLOKOSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)C[NH+]1CCOC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001447143913 930575318 /nfs/dbraw/zinc/57/53/18/930575318.db2.gz SAOPWUJYSQFPNF-OAHLLOKOSA-N 2 2 297.443 0.944 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@H](O)C[NH2+]CC(C)C)c[nH+]1 ZINC001374612924 930595011 /nfs/dbraw/zinc/59/50/11/930595011.db2.gz BTKBPDYSSVNZPB-CYBMUJFWSA-N 2 2 296.415 0.649 20 0 CCADLP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)Cc1cncn1C ZINC001448146535 930834824 /nfs/dbraw/zinc/83/48/24/930834824.db2.gz JCODBWPRVQWVTG-CYBMUJFWSA-N 2 2 293.415 0.452 20 0 CCADLP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)Cc1cncn1C ZINC001448146535 930834827 /nfs/dbraw/zinc/83/48/27/930834827.db2.gz JCODBWPRVQWVTG-CYBMUJFWSA-N 2 2 293.415 0.452 20 0 CCADLP COCC[N@@H+]1CC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001375378302 930870790 /nfs/dbraw/zinc/87/07/90/930870790.db2.gz FSOWMWBNQABJHN-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP COCC[N@H+]1CC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001375378302 930870797 /nfs/dbraw/zinc/87/07/97/930870797.db2.gz FSOWMWBNQABJHN-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP C[C@@H](O)CCC[N@@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001375384059 930872337 /nfs/dbraw/zinc/87/23/37/930872337.db2.gz QTRCGYNAECDWEF-CHWSQXEVSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@@H](O)CCC[N@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001375384059 930872340 /nfs/dbraw/zinc/87/23/40/930872340.db2.gz QTRCGYNAECDWEF-CHWSQXEVSA-N 2 2 280.372 0.235 20 0 CCADLP CO[C@@H](C)C[NH2+]C1(CNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001375537446 930910473 /nfs/dbraw/zinc/91/04/73/930910473.db2.gz WIGSQUXAEUIOMR-LBPRGKRZSA-N 2 2 294.399 0.626 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C)[nH]1 ZINC001448665464 930941239 /nfs/dbraw/zinc/94/12/39/930941239.db2.gz VDTANJFVFWLEBQ-JQWIXIFHSA-N 2 2 294.403 0.144 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CCC[N@H+]2C)[nH]1 ZINC001448665464 930941245 /nfs/dbraw/zinc/94/12/45/930941245.db2.gz VDTANJFVFWLEBQ-JQWIXIFHSA-N 2 2 294.403 0.144 20 0 CCADLP C[C@@H](CN(C)C(=O)CCc1[nH+]ccn1C)[NH2+]CCF ZINC001448712191 930953968 /nfs/dbraw/zinc/95/39/68/930953968.db2.gz MCNFBXYBSCQYCH-NSHDSACASA-N 2 2 270.352 0.759 20 0 CCADLP C[C@@H](CC(=O)NC[C@H]([NH2+]CCO)C1CC1)n1cc[nH+]c1 ZINC001376247330 931105049 /nfs/dbraw/zinc/10/50/49/931105049.db2.gz VVPSZFHZAHPJAT-AAEUAGOBSA-N 2 2 280.372 0.311 20 0 CCADLP CC[C@@H](C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1)OC ZINC001376487111 931164849 /nfs/dbraw/zinc/16/48/49/931164849.db2.gz HQXYBBRSZRKSHX-LOWVWBTDSA-N 2 2 280.372 0.614 20 0 CCADLP CO[C@H](C)C[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CCC1 ZINC001376785255 931271748 /nfs/dbraw/zinc/27/17/48/931271748.db2.gz BQPMUOIYLHSRJW-LLVKDONJSA-N 2 2 280.372 0.616 20 0 CCADLP CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ncccn1)[NH+](C)C ZINC001376805770 931285075 /nfs/dbraw/zinc/28/50/75/931285075.db2.gz AZEAAAJIAJTUGZ-RYUDHWBXSA-N 2 2 279.388 0.411 20 0 CCADLP CC[C@H](F)C[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001376846345 931303148 /nfs/dbraw/zinc/30/31/48/931303148.db2.gz IMELUCIZMLUINQ-RYUDHWBXSA-N 2 2 298.362 0.517 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000362749469 300225320 /nfs/dbraw/zinc/22/53/20/300225320.db2.gz YRCRNAKINNLFFC-QWHCGFSZSA-N 2 2 283.416 0.411 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000362749469 300225323 /nfs/dbraw/zinc/22/53/23/300225323.db2.gz YRCRNAKINNLFFC-QWHCGFSZSA-N 2 2 283.416 0.411 20 0 CCADLP C[C@H]1C[NH+](C)C[C@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000362749469 300225324 /nfs/dbraw/zinc/22/53/24/300225324.db2.gz YRCRNAKINNLFFC-QWHCGFSZSA-N 2 2 283.416 0.411 20 0 CCADLP C[C@H]1C[NH+](C)C[C@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000362749469 300225329 /nfs/dbraw/zinc/22/53/29/300225329.db2.gz YRCRNAKINNLFFC-QWHCGFSZSA-N 2 2 283.416 0.411 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000294959453 199270665 /nfs/dbraw/zinc/27/06/65/199270665.db2.gz DTVZEALKGWGFRS-LLVKDONJSA-N 2 2 296.396 0.752 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000093173372 349530291 /nfs/dbraw/zinc/53/02/91/349530291.db2.gz UQYUEABENUCBFO-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000093173372 349530294 /nfs/dbraw/zinc/53/02/94/349530294.db2.gz UQYUEABENUCBFO-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCC[NH+]1CCC1 ZINC000337596048 214173210 /nfs/dbraw/zinc/17/32/10/214173210.db2.gz KOSLIFRJCDUCKA-LBPRGKRZSA-N 2 2 279.388 0.833 20 0 CCADLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)N2CCOCC2)CC1 ZINC000337642777 214194745 /nfs/dbraw/zinc/19/47/45/214194745.db2.gz GVHVMRRFYKMTRV-UHFFFAOYSA-N 2 2 283.416 0.650 20 0 CCADLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)N2CCOCC2)CC1 ZINC000337642777 214194747 /nfs/dbraw/zinc/19/47/47/214194747.db2.gz GVHVMRRFYKMTRV-UHFFFAOYSA-N 2 2 283.416 0.650 20 0 CCADLP C[NH+](C)C[C@@H]1C[N@H+](C[C@@H]2CCCC[C@@H]2O)CCO1 ZINC000514733784 282127849 /nfs/dbraw/zinc/12/78/49/282127849.db2.gz ORJSQIOGLLUCCB-MJBXVCDLSA-N 2 2 256.390 0.800 20 0 CCADLP C[NH+](C)C[C@@H]1C[N@@H+](C[C@@H]2CCCC[C@@H]2O)CCO1 ZINC000514733784 282127850 /nfs/dbraw/zinc/12/78/50/282127850.db2.gz ORJSQIOGLLUCCB-MJBXVCDLSA-N 2 2 256.390 0.800 20 0 CCADLP C[NH+](C)C[C@@H]1C[N@H+](C[C@@H]2CCCC[C@H]2O)CCO1 ZINC000514733781 282127862 /nfs/dbraw/zinc/12/78/62/282127862.db2.gz ORJSQIOGLLUCCB-BFHYXJOUSA-N 2 2 256.390 0.800 20 0 CCADLP C[NH+](C)C[C@@H]1C[N@@H+](C[C@@H]2CCCC[C@H]2O)CCO1 ZINC000514733781 282127863 /nfs/dbraw/zinc/12/78/63/282127863.db2.gz ORJSQIOGLLUCCB-BFHYXJOUSA-N 2 2 256.390 0.800 20 0 CCADLP COc1ccccc1CNC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094341912 349566710 /nfs/dbraw/zinc/56/67/10/349566710.db2.gz XVHSYYDDKQFFHL-OCCSQVGLSA-N 2 2 291.395 0.981 20 0 CCADLP COc1ccccc1CNC(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000094341912 349566713 /nfs/dbraw/zinc/56/67/13/349566713.db2.gz XVHSYYDDKQFFHL-OCCSQVGLSA-N 2 2 291.395 0.981 20 0 CCADLP C[NH2+]CC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000040858252 290638814 /nfs/dbraw/zinc/63/88/14/290638814.db2.gz ZYUCHFOHXHKSKV-NSHDSACASA-N 2 2 283.397 0.457 20 0 CCADLP Cc1nccc(N2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)n1 ZINC000262028466 282187019 /nfs/dbraw/zinc/18/70/19/282187019.db2.gz NVDGVMOCDAHFJM-OAHLLOKOSA-N 2 2 275.400 0.907 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000104387265 349716238 /nfs/dbraw/zinc/71/62/38/349716238.db2.gz UYMYLFGYUXPCRO-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000104387265 349716240 /nfs/dbraw/zinc/71/62/40/349716240.db2.gz UYMYLFGYUXPCRO-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)NC(=O)NC1CCCCC1 ZINC000107855254 349741738 /nfs/dbraw/zinc/74/17/38/349741738.db2.gz SNSULMDVZYJNGQ-VXGBXAGGSA-N 2 2 294.399 0.296 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)CN1CC[NH+](C)CC1)c1ccco1 ZINC000109930184 349755547 /nfs/dbraw/zinc/75/55/47/349755547.db2.gz OJHGZCIGYTUWHO-ZDUSSCGKSA-N 2 2 294.399 0.246 20 0 CCADLP CC[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000358175117 529669480 /nfs/dbraw/zinc/66/94/80/529669480.db2.gz YHRKAHYJKSCDFX-GJZGRUSLSA-N 2 2 295.427 0.698 20 0 CCADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCOCC[NH3+] ZINC000357072589 282217050 /nfs/dbraw/zinc/21/70/50/282217050.db2.gz KWPVACYCWXMRGZ-CYBMUJFWSA-N 3 2 252.362 0.631 20 0 CCADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000357072589 282217051 /nfs/dbraw/zinc/21/70/51/282217051.db2.gz KWPVACYCWXMRGZ-CYBMUJFWSA-N 3 2 252.362 0.631 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@H+](CC3=Cc4ccccc4OC3)CCN2C1=O ZINC000600769335 362059087 /nfs/dbraw/zinc/05/90/87/362059087.db2.gz MYYSFKOSIMHHDF-GJZGRUSLSA-N 2 2 299.374 0.706 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CC3=Cc4ccccc4OC3)CCN2C1=O ZINC000600769335 362059092 /nfs/dbraw/zinc/05/90/92/362059092.db2.gz MYYSFKOSIMHHDF-GJZGRUSLSA-N 2 2 299.374 0.706 20 0 CCADLP CCOC(=O)C1CC[NH+](Cc2cn(CC[NH3+])nn2)CC1 ZINC000600967536 362105608 /nfs/dbraw/zinc/10/56/08/362105608.db2.gz UROQHIGWWCUHBQ-UHFFFAOYSA-N 2 2 281.360 0.012 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)CCc1c[nH+]cn1C ZINC000617724726 365732092 /nfs/dbraw/zinc/73/20/92/365732092.db2.gz BFVPPQUVXJDMJA-OLZOCXBDSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)CCc1c[nH+]cn1C ZINC000617724726 365732094 /nfs/dbraw/zinc/73/20/94/365732094.db2.gz BFVPPQUVXJDMJA-OLZOCXBDSA-N 2 2 294.399 0.578 20 0 CCADLP CC(C)(C)c1noc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)n1 ZINC000261663064 534939055 /nfs/dbraw/zinc/93/90/55/534939055.db2.gz KTNCXGNNWBQREX-LBPRGKRZSA-N 2 2 293.415 0.847 20 0 CCADLP CC(C)(C)c1noc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)n1 ZINC000261663064 534939064 /nfs/dbraw/zinc/93/90/64/534939064.db2.gz KTNCXGNNWBQREX-LBPRGKRZSA-N 2 2 293.415 0.847 20 0 CCADLP COC(=O)CC1(C[NH+]2CCC([NH2+]CCO)CC2)CC1 ZINC000601328667 362225790 /nfs/dbraw/zinc/22/57/90/362225790.db2.gz VLHNFECVUQFSBO-UHFFFAOYSA-N 2 2 270.373 0.376 20 0 CCADLP C[C@H](CCNC(=O)C(C)(C)[NH+]1CCOCC1)[NH+](C)C ZINC000617758435 365760176 /nfs/dbraw/zinc/76/01/76/365760176.db2.gz PIMIBGORWZTQTD-GFCCVEGCSA-N 2 2 271.405 0.554 20 0 CCADLP C[C@H](CCNC(=O)C1([NH+]2CCOCC2)CCC1)[NH+](C)C ZINC000617757144 365760636 /nfs/dbraw/zinc/76/06/36/365760636.db2.gz WNFONXWVVVXXAX-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CC1(F)F ZINC000617763060 365766174 /nfs/dbraw/zinc/76/61/74/365766174.db2.gz CFPWJVAQNAPWAJ-SNVBAGLBSA-N 2 2 263.332 0.641 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CC1(F)F ZINC000617763060 365766181 /nfs/dbraw/zinc/76/61/81/365766181.db2.gz CFPWJVAQNAPWAJ-SNVBAGLBSA-N 2 2 263.332 0.641 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1ccccc1O ZINC000617764666 365767922 /nfs/dbraw/zinc/76/79/22/365767922.db2.gz BLVONLOZRPCKIR-UHFFFAOYSA-N 2 2 293.411 0.934 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1ccccc1O ZINC000617764666 365767932 /nfs/dbraw/zinc/76/79/32/365767932.db2.gz BLVONLOZRPCKIR-UHFFFAOYSA-N 2 2 293.411 0.934 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)COC(F)F ZINC000617764423 365768566 /nfs/dbraw/zinc/76/85/66/365768566.db2.gz WUMYUPZMURSRPG-UHFFFAOYSA-N 2 2 267.320 0.225 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)COC(F)F ZINC000617764423 365768569 /nfs/dbraw/zinc/76/85/69/365768569.db2.gz WUMYUPZMURSRPG-UHFFFAOYSA-N 2 2 267.320 0.225 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(O)cc(=O)[nH]1 ZINC000617764396 365768849 /nfs/dbraw/zinc/76/88/49/365768849.db2.gz VEWLHIKAEKLLJL-UHFFFAOYSA-N 2 2 296.371 0.106 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(O)cc(=O)[nH]1 ZINC000617764396 365768854 /nfs/dbraw/zinc/76/88/54/365768854.db2.gz VEWLHIKAEKLLJL-UHFFFAOYSA-N 2 2 296.371 0.106 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@]1(C)CCCOC1 ZINC000617764715 365769226 /nfs/dbraw/zinc/76/92/26/365769226.db2.gz DACIPLHJSFGMEL-OAHLLOKOSA-N 2 2 285.432 0.803 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@]1(C)CCCOC1 ZINC000617764715 365769233 /nfs/dbraw/zinc/76/92/33/365769233.db2.gz DACIPLHJSFGMEL-OAHLLOKOSA-N 2 2 285.432 0.803 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@H]1CCCC[C@@H]1O ZINC000617764485 365769344 /nfs/dbraw/zinc/76/93/44/365769344.db2.gz ZIPOBZUKKLKRDD-CABCVRRESA-N 2 2 299.459 0.927 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@H]1CCCC[C@@H]1O ZINC000617764485 365769350 /nfs/dbraw/zinc/76/93/50/365769350.db2.gz ZIPOBZUKKLKRDD-CABCVRRESA-N 2 2 299.459 0.927 20 0 CCADLP CCc1nnc(C[NH2+]C(C)(C)CN2CC[NH+](CC)CC2)[nH]1 ZINC000451980616 529739981 /nfs/dbraw/zinc/73/99/81/529739981.db2.gz HWNYNHXHVCMLDK-UHFFFAOYSA-N 2 2 294.447 0.873 20 0 CCADLP Cc1nn(C)c(C)c1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767891 365774143 /nfs/dbraw/zinc/77/41/43/365774143.db2.gz HJCUZUWAYKJPNE-UHFFFAOYSA-N 2 2 295.431 0.650 20 0 CCADLP Cc1nn(C)c(C)c1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767891 365774147 /nfs/dbraw/zinc/77/41/47/365774147.db2.gz HJCUZUWAYKJPNE-UHFFFAOYSA-N 2 2 295.431 0.650 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1ccco1 ZINC000617765849 365771577 /nfs/dbraw/zinc/77/15/77/365771577.db2.gz SSZOXRDVHOQIMY-UHFFFAOYSA-N 2 2 267.373 0.822 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1ccco1 ZINC000617765849 365771581 /nfs/dbraw/zinc/77/15/81/365771581.db2.gz SSZOXRDVHOQIMY-UHFFFAOYSA-N 2 2 267.373 0.822 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000423691150 529798565 /nfs/dbraw/zinc/79/85/65/529798565.db2.gz PGLZHHJHMYKCKV-CQSZACIVSA-N 2 2 280.347 0.921 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@@H](O)CC2)n1C ZINC000425340317 529807820 /nfs/dbraw/zinc/80/78/20/529807820.db2.gz AGWWHTAYGCKUPK-GFCCVEGCSA-N 2 2 252.362 0.833 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@@H](O)CC2)n1C ZINC000425340317 529807821 /nfs/dbraw/zinc/80/78/21/529807821.db2.gz AGWWHTAYGCKUPK-GFCCVEGCSA-N 2 2 252.362 0.833 20 0 CCADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC000425047901 529822317 /nfs/dbraw/zinc/82/23/17/529822317.db2.gz AHZYVWIAABHAAY-HZSPNIEDSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC000425047901 529822319 /nfs/dbraw/zinc/82/23/19/529822319.db2.gz AHZYVWIAABHAAY-HZSPNIEDSA-N 2 2 288.395 0.998 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000117022324 349879862 /nfs/dbraw/zinc/87/98/62/349879862.db2.gz LZJVDRRHYZOQFF-CHWSQXEVSA-N 2 2 295.387 0.244 20 0 CCADLP CNC(=O)[C@H](C)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000426311600 529917036 /nfs/dbraw/zinc/91/70/36/529917036.db2.gz QOBMWNILQDXCIL-LBPRGKRZSA-N 2 2 276.384 0.770 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000423735809 529911464 /nfs/dbraw/zinc/91/14/64/529911464.db2.gz BEOCGEUBHDFHBX-DZGCQCFKSA-N 2 2 283.416 0.685 20 0 CCADLP COC(=O)c1ccc(C[NH2+]CCn2cc[nH+]c2)n1C ZINC000601999877 362453552 /nfs/dbraw/zinc/45/35/52/362453552.db2.gz WTFUPDFLRAMITE-UHFFFAOYSA-N 2 2 262.313 0.798 20 0 CCADLP CN1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)[C@H](C[NH3+])C1 ZINC000162626842 290741280 /nfs/dbraw/zinc/74/12/80/290741280.db2.gz GYFTWBLKXRAFSG-OAHLLOKOSA-N 2 2 299.378 0.587 20 0 CCADLP O=C1CC[C@@H]([NH2+]C2CC[NH+](Cc3cccnc3)CC2)CN1 ZINC000361481114 232138168 /nfs/dbraw/zinc/13/81/68/232138168.db2.gz JQUPAISFPXBTBU-OAHLLOKOSA-N 2 2 288.395 0.914 20 0 CCADLP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244872 412520227 /nfs/dbraw/zinc/52/02/27/412520227.db2.gz XDUOPDBPJVRKIY-RWMBFGLXSA-N 2 2 294.399 0.956 20 0 CCADLP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244872 412520223 /nfs/dbraw/zinc/52/02/23/412520223.db2.gz XDUOPDBPJVRKIY-RWMBFGLXSA-N 2 2 294.399 0.956 20 0 CCADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244872 412520229 /nfs/dbraw/zinc/52/02/29/412520229.db2.gz XDUOPDBPJVRKIY-RWMBFGLXSA-N 2 2 294.399 0.956 20 0 CCADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244872 412520230 /nfs/dbraw/zinc/52/02/30/412520230.db2.gz XDUOPDBPJVRKIY-RWMBFGLXSA-N 2 2 294.399 0.956 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000119327104 349930027 /nfs/dbraw/zinc/93/00/27/349930027.db2.gz KSCSNFXIWHMBIM-CABCVRRESA-N 2 2 297.399 0.762 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000119327104 349930032 /nfs/dbraw/zinc/93/00/32/349930032.db2.gz KSCSNFXIWHMBIM-CABCVRRESA-N 2 2 297.399 0.762 20 0 CCADLP Cc1ncc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[nH]1 ZINC000602330059 362589343 /nfs/dbraw/zinc/58/93/43/362589343.db2.gz BLSVYAXANCTRQA-LBPRGKRZSA-N 2 2 291.399 0.616 20 0 CCADLP Cc1ncc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[nH]1 ZINC000602330059 362589350 /nfs/dbraw/zinc/58/93/50/362589350.db2.gz BLSVYAXANCTRQA-LBPRGKRZSA-N 2 2 291.399 0.616 20 0 CCADLP CC(C)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602391119 362604282 /nfs/dbraw/zinc/60/42/82/362604282.db2.gz MVHYAXBGXQXZRU-LBPRGKRZSA-N 2 2 268.405 0.863 20 0 CCADLP CC(C)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602391119 362604286 /nfs/dbraw/zinc/60/42/86/362604286.db2.gz MVHYAXBGXQXZRU-LBPRGKRZSA-N 2 2 268.405 0.863 20 0 CCADLP CCN1CC[NH+]([C@H]2CCN(C(=O)C3=CC[C@@H]([NH3+])C3)C2)CC1 ZINC000602506273 362649007 /nfs/dbraw/zinc/64/90/07/362649007.db2.gz MPRXWOQFGFFAJT-CABCVRRESA-N 2 2 292.427 0.272 20 0 CCADLP COC(=O)c1cc(C[NH2+]CCCn2cc[nH+]c2)on1 ZINC000602505847 362649144 /nfs/dbraw/zinc/64/91/44/362649144.db2.gz VZLFNMMENQKNBK-UHFFFAOYSA-N 2 2 264.285 0.838 20 0 CCADLP OCc1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)o1 ZINC000119527555 349939918 /nfs/dbraw/zinc/93/99/18/349939918.db2.gz PCCFBMNZKOWFMB-UHFFFAOYSA-N 2 2 293.411 0.985 20 0 CCADLP CCc1nocc1C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000339232046 215029044 /nfs/dbraw/zinc/02/90/44/215029044.db2.gz QVXNIYYAILFHIG-GFCCVEGCSA-N 2 2 294.399 0.914 20 0 CCADLP CCc1nocc1C[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000339232046 215029046 /nfs/dbraw/zinc/02/90/46/215029046.db2.gz QVXNIYYAILFHIG-GFCCVEGCSA-N 2 2 294.399 0.914 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000618181192 365917261 /nfs/dbraw/zinc/91/72/61/365917261.db2.gz ARKHNZKWUIYNOQ-ZDUSSCGKSA-N 2 2 278.356 0.125 20 0 CCADLP CC(C)(C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1c[nH+]c[nH]1 ZINC000618181848 365917910 /nfs/dbraw/zinc/91/79/10/365917910.db2.gz SEQWWTIXWSKAFQ-LBPRGKRZSA-N 2 2 292.383 0.620 20 0 CCADLP C[C@H](C(N)=O)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249534434 137000161 /nfs/dbraw/zinc/00/01/61/137000161.db2.gz CALYHJXVGUZTRV-CJNGLKHVSA-N 2 2 291.395 0.429 20 0 CCADLP C[C@H](C(N)=O)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249534434 137000162 /nfs/dbraw/zinc/00/01/62/137000162.db2.gz CALYHJXVGUZTRV-CJNGLKHVSA-N 2 2 291.395 0.429 20 0 CCADLP C[C@H](C(N)=O)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249534434 137000163 /nfs/dbraw/zinc/00/01/63/137000163.db2.gz CALYHJXVGUZTRV-CJNGLKHVSA-N 2 2 291.395 0.429 20 0 CCADLP C[C@H](C(N)=O)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249534434 137000164 /nfs/dbraw/zinc/00/01/64/137000164.db2.gz CALYHJXVGUZTRV-CJNGLKHVSA-N 2 2 291.395 0.429 20 0 CCADLP CCn1cc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cn1 ZINC000261576903 137009839 /nfs/dbraw/zinc/00/98/39/137009839.db2.gz CJZGIWRJVIXFQO-AWEZNQCLSA-N 2 2 263.389 0.383 20 0 CCADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261586900 137010409 /nfs/dbraw/zinc/01/04/09/137010409.db2.gz URWVJIREINEFNQ-AVGNSLFASA-N 2 2 253.390 0.688 20 0 CCADLP CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261586900 137010410 /nfs/dbraw/zinc/01/04/10/137010410.db2.gz URWVJIREINEFNQ-AVGNSLFASA-N 2 2 253.390 0.688 20 0 CCADLP COc1c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(C)nn1C ZINC000261604472 137011688 /nfs/dbraw/zinc/01/16/88/137011688.db2.gz RCZHJDGTDONDFD-NEPJUHHUSA-N 2 2 264.373 0.778 20 0 CCADLP COc1c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(C)nn1C ZINC000261604472 137011689 /nfs/dbraw/zinc/01/16/89/137011689.db2.gz RCZHJDGTDONDFD-NEPJUHHUSA-N 2 2 264.373 0.778 20 0 CCADLP O=C(C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)NC1CCCC1 ZINC000261630991 137012985 /nfs/dbraw/zinc/01/29/85/137012985.db2.gz BIWOTDMZSUDKGW-AWEZNQCLSA-N 2 2 280.416 0.025 20 0 CCADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)NCCOc2ccccc2)C1 ZINC000261628472 137013268 /nfs/dbraw/zinc/01/32/68/137013268.db2.gz HLJDMZILIKKPDY-INIZCTEOSA-N 2 2 291.395 0.852 20 0 CCADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)NCCOc2ccccc2)C1 ZINC000261628472 137013269 /nfs/dbraw/zinc/01/32/69/137013269.db2.gz HLJDMZILIKKPDY-INIZCTEOSA-N 2 2 291.395 0.852 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@H](C)O1 ZINC000261652607 137014124 /nfs/dbraw/zinc/01/41/24/137014124.db2.gz DJVZGYXFWCFXCN-XJFOESAGSA-N 2 2 281.400 0.164 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@H](C)O1 ZINC000261652607 137014125 /nfs/dbraw/zinc/01/41/25/137014125.db2.gz DJVZGYXFWCFXCN-XJFOESAGSA-N 2 2 281.400 0.164 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000261660766 137014238 /nfs/dbraw/zinc/01/42/38/137014238.db2.gz ZBVONABQVOQGEQ-HZSPNIEDSA-N 2 2 265.401 0.786 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000261660766 137014239 /nfs/dbraw/zinc/01/42/39/137014239.db2.gz ZBVONABQVOQGEQ-HZSPNIEDSA-N 2 2 265.401 0.786 20 0 CCADLP O=C([C@H]1CSC[NH2+]1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000262640307 137049029 /nfs/dbraw/zinc/04/90/29/137049029.db2.gz HIDRBIGXUNAPOP-CYBMUJFWSA-N 2 2 299.440 0.220 20 0 CCADLP [NH3+]CC[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000262950918 137056050 /nfs/dbraw/zinc/05/60/50/137056050.db2.gz JQPITGZIZNQUGQ-UHFFFAOYSA-N 2 2 253.371 0.901 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000263019687 137056859 /nfs/dbraw/zinc/05/68/59/137056859.db2.gz QSSYWSFCAZMWQA-FMKPAKJESA-N 2 2 296.459 0.646 20 0 CCADLP [NH3+]CCN1CC[NH+](CCNC(=O)c2ccccc2F)CC1 ZINC000263014671 137056990 /nfs/dbraw/zinc/05/69/90/137056990.db2.gz QDPQVRGQWIKTFT-UHFFFAOYSA-N 2 2 294.374 0.132 20 0 CCADLP Cc1cc(NC(=O)C2CC[NH+](CC[NH3+])CC2)no1 ZINC000263084635 137057992 /nfs/dbraw/zinc/05/79/92/137057992.db2.gz XVQCFEDWGBEOBU-UHFFFAOYSA-N 2 2 252.318 0.592 20 0 CCADLP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263081101 137058126 /nfs/dbraw/zinc/05/81/26/137058126.db2.gz XMAGLCGUUJQCRY-UWVGGRQHSA-N 2 2 261.316 0.584 20 0 CCADLP CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263081101 137058127 /nfs/dbraw/zinc/05/81/27/137058127.db2.gz XMAGLCGUUJQCRY-UWVGGRQHSA-N 2 2 261.316 0.584 20 0 CCADLP [NH3+]CC[N@@H+](CCc1ccccc1)CCN1C(=O)CNC1=O ZINC000261839886 137021837 /nfs/dbraw/zinc/02/18/37/137021837.db2.gz WLNVWYCZFMDSTC-UHFFFAOYSA-N 2 2 290.367 0.042 20 0 CCADLP [NH3+]CC[N@H+](CCc1ccccc1)CCN1C(=O)CNC1=O ZINC000261839886 137021838 /nfs/dbraw/zinc/02/18/38/137021838.db2.gz WLNVWYCZFMDSTC-UHFFFAOYSA-N 2 2 290.367 0.042 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261840209 137021842 /nfs/dbraw/zinc/02/18/42/137021842.db2.gz QPHBEJCLMQPNAP-NEPJUHHUSA-N 2 2 278.356 0.270 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C[C@@H](C)O1 ZINC000261854307 137022699 /nfs/dbraw/zinc/02/26/99/137022699.db2.gz XAEPNYZSQUBGGC-MQYQWHSLSA-N 2 2 281.400 0.306 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C[C@@H](C)O1 ZINC000261854307 137022700 /nfs/dbraw/zinc/02/27/00/137022700.db2.gz XAEPNYZSQUBGGC-MQYQWHSLSA-N 2 2 281.400 0.306 20 0 CCADLP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000263159884 137059232 /nfs/dbraw/zinc/05/92/32/137059232.db2.gz DTDIFLDWZBNLBK-ZWNOBZJWSA-N 2 2 250.346 0.976 20 0 CCADLP C[C@@H]1C[N@H+](CC(C)(C)[NH3+])CC[C@H]1N1CC[NH+](C)CC1 ZINC000261914692 137025520 /nfs/dbraw/zinc/02/55/20/137025520.db2.gz JSJLFZJOLIYKLS-ZIAGYGMSSA-N 3 2 268.449 0.682 20 0 CCADLP C[C@@H]1C[N@@H+](CC(C)(C)[NH3+])CC[C@H]1N1CC[NH+](C)CC1 ZINC000261914692 137025521 /nfs/dbraw/zinc/02/55/21/137025521.db2.gz JSJLFZJOLIYKLS-ZIAGYGMSSA-N 3 2 268.449 0.682 20 0 CCADLP COC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000262189585 137030266 /nfs/dbraw/zinc/03/02/66/137030266.db2.gz CDHWEEQONNRTNC-CQSZACIVSA-N 2 2 277.368 0.135 20 0 CCADLP COC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000262189585 137030267 /nfs/dbraw/zinc/03/02/67/137030267.db2.gz CDHWEEQONNRTNC-CQSZACIVSA-N 2 2 277.368 0.135 20 0 CCADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000262253861 137033362 /nfs/dbraw/zinc/03/33/62/137033362.db2.gz LTAFBFNXCTYGEB-MFKMUULPSA-N 2 2 278.356 0.493 20 0 CCADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000262253861 137033363 /nfs/dbraw/zinc/03/33/63/137033363.db2.gz LTAFBFNXCTYGEB-MFKMUULPSA-N 2 2 278.356 0.493 20 0 CCADLP CC[N@H+](CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1)C1CC1 ZINC000263241424 137061448 /nfs/dbraw/zinc/06/14/48/137061448.db2.gz OQMYCCNPWOJPOX-SNVBAGLBSA-N 2 2 261.316 0.584 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1)C1CC1 ZINC000263241424 137061449 /nfs/dbraw/zinc/06/14/49/137061449.db2.gz OQMYCCNPWOJPOX-SNVBAGLBSA-N 2 2 261.316 0.584 20 0 CCADLP CCc1nc(N2CCC[N@@H+](CCO)CC2)cc(C)[nH+]1 ZINC000311400765 137074719 /nfs/dbraw/zinc/07/47/19/137074719.db2.gz UVZMDAQTLBDYBC-UHFFFAOYSA-N 2 2 264.373 0.852 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000311906518 137075785 /nfs/dbraw/zinc/07/57/85/137075785.db2.gz GRCOKRKDGRCODC-ZDUSSCGKSA-N 2 2 270.377 0.283 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000311906518 137075786 /nfs/dbraw/zinc/07/57/86/137075786.db2.gz GRCOKRKDGRCODC-ZDUSSCGKSA-N 2 2 270.377 0.283 20 0 CCADLP C[C@H](C[NH2+]Cc1cncn1C)C[NH+]1CCOCC1 ZINC000120265477 349976993 /nfs/dbraw/zinc/97/69/93/349976993.db2.gz RDMQBGYIJUBMBW-GFCCVEGCSA-N 2 2 252.362 0.478 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+]CC(=O)NC(C)C)CC1 ZINC000342545253 137100348 /nfs/dbraw/zinc/10/03/48/137100348.db2.gz HXFVLPBVGXDFJT-UHFFFAOYSA-N 2 2 299.415 0.518 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)N1CCOCC1 ZINC000343080783 137113807 /nfs/dbraw/zinc/11/38/07/137113807.db2.gz VBTZLEZWRDMUHM-CHWSQXEVSA-N 2 2 255.406 0.637 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)N1CCOCC1 ZINC000343080783 137113808 /nfs/dbraw/zinc/11/38/08/137113808.db2.gz VBTZLEZWRDMUHM-CHWSQXEVSA-N 2 2 255.406 0.637 20 0 CCADLP O=C1NCCN1C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000343141141 137117678 /nfs/dbraw/zinc/11/76/78/137117678.db2.gz PKRXJNOTVKZJFD-UHFFFAOYSA-N 2 2 277.372 0.763 20 0 CCADLP O=C1NCC[N@H+](CCn2cc[nH+]c2)[C@@H]1Cc1ccccc1 ZINC000344008835 137173225 /nfs/dbraw/zinc/17/32/25/137173225.db2.gz ZMCIQYCNPMMTPS-OAHLLOKOSA-N 2 2 284.363 0.926 20 0 CCADLP O=C1NCC[N@@H+](CCn2cc[nH+]c2)[C@@H]1Cc1ccccc1 ZINC000344008835 137173226 /nfs/dbraw/zinc/17/32/26/137173226.db2.gz ZMCIQYCNPMMTPS-OAHLLOKOSA-N 2 2 284.363 0.926 20 0 CCADLP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000343304017 137126387 /nfs/dbraw/zinc/12/63/87/137126387.db2.gz PENZPNMWARCEIE-GFCCVEGCSA-N 2 2 286.401 0.287 20 0 CCADLP CNS(=O)(=O)C[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000343304017 137126388 /nfs/dbraw/zinc/12/63/88/137126388.db2.gz PENZPNMWARCEIE-GFCCVEGCSA-N 2 2 286.401 0.287 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccnc(N(C)C)n1 ZINC000344327418 137188722 /nfs/dbraw/zinc/18/87/22/137188722.db2.gz LUMGGVRKUJDTDK-DGCLKSJQSA-N 2 2 263.389 0.972 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccnc(N(C)C)n1 ZINC000344327418 137188723 /nfs/dbraw/zinc/18/87/23/137188723.db2.gz LUMGGVRKUJDTDK-DGCLKSJQSA-N 2 2 263.389 0.972 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCN(C2CC2)C1=O ZINC000120262835 349977593 /nfs/dbraw/zinc/97/75/93/349977593.db2.gz QTBUXSKOGHKLKU-CYBMUJFWSA-N 2 2 262.357 0.968 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCN(C2CC2)C1=O ZINC000120262835 349977598 /nfs/dbraw/zinc/97/75/98/349977598.db2.gz QTBUXSKOGHKLKU-CYBMUJFWSA-N 2 2 262.357 0.968 20 0 CCADLP COC[C@H](C(N)=O)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000339365141 215123213 /nfs/dbraw/zinc/12/32/13/215123213.db2.gz WFEAZBPOUVSBCY-CQSZACIVSA-N 2 2 288.351 0.804 20 0 CCADLP COC[C@H](C(N)=O)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000339365141 215123214 /nfs/dbraw/zinc/12/32/14/215123214.db2.gz WFEAZBPOUVSBCY-CQSZACIVSA-N 2 2 288.351 0.804 20 0 CCADLP O=C(NCC[NH+]1CCOCC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000019478706 348062973 /nfs/dbraw/zinc/06/29/73/348062973.db2.gz VLXSOGYXOOCDRE-IHRRRGAJSA-N 2 2 281.400 0.356 20 0 CCADLP COCCCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000344747678 137210843 /nfs/dbraw/zinc/21/08/43/137210843.db2.gz ODEIVJZHRHZBIJ-UHFFFAOYSA-N 2 2 285.432 0.897 20 0 CCADLP COCCCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000344747678 137210844 /nfs/dbraw/zinc/21/08/44/137210844.db2.gz ODEIVJZHRHZBIJ-UHFFFAOYSA-N 2 2 285.432 0.897 20 0 CCADLP CC(C)C[C@@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000037008735 348178804 /nfs/dbraw/zinc/17/88/04/348178804.db2.gz LTUGFVXRXUXOCM-VXGBXAGGSA-N 2 2 257.378 0.197 20 0 CCADLP O[C@H](C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)C[NH+]1CCCC1 ZINC000037904546 348218139 /nfs/dbraw/zinc/21/81/39/348218139.db2.gz RGNJPMHRBHMDDD-UKRRQHHQSA-N 3 2 267.417 0.517 20 0 CCADLP O[C@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C[NH+]1CCCC1 ZINC000037904546 348218142 /nfs/dbraw/zinc/21/81/42/348218142.db2.gz RGNJPMHRBHMDDD-UKRRQHHQSA-N 3 2 267.417 0.517 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917686 348218258 /nfs/dbraw/zinc/21/82/58/348218258.db2.gz JSUQLGAEFVHIBP-RYUDHWBXSA-N 2 2 282.388 0.296 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917686 348218259 /nfs/dbraw/zinc/21/82/59/348218259.db2.gz JSUQLGAEFVHIBP-RYUDHWBXSA-N 2 2 282.388 0.296 20 0 CCADLP Cc1cc(NC2CC[NH+](CC(N)=O)CC2)nc(C)[nH+]1 ZINC000037981607 348220809 /nfs/dbraw/zinc/22/08/09/348220809.db2.gz RIJJHVDVJAFNCK-UHFFFAOYSA-N 2 2 263.345 0.455 20 0 CCADLP CS(=O)(=O)NCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000037241388 348185727 /nfs/dbraw/zinc/18/57/27/348185727.db2.gz FBPLNAKELRQEHK-UHFFFAOYSA-N 2 2 298.412 0.189 20 0 CCADLP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000037802012 348206330 /nfs/dbraw/zinc/20/63/30/348206330.db2.gz HESFRHTZEGSOGN-QWHCGFSZSA-N 2 2 295.408 0.115 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000345180665 137238567 /nfs/dbraw/zinc/23/85/67/137238567.db2.gz SBRULGMJFPBMMS-KFWWJZLASA-N 3 2 269.433 0.763 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000345180665 137238568 /nfs/dbraw/zinc/23/85/68/137238568.db2.gz SBRULGMJFPBMMS-KFWWJZLASA-N 3 2 269.433 0.763 20 0 CCADLP COC(=O)[C@@H](CC(C)C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602875806 362855882 /nfs/dbraw/zinc/85/58/82/362855882.db2.gz APUHGGVFQOOJET-HIFRSBDPSA-N 2 2 286.416 0.963 20 0 CCADLP COC(=O)[C@@H](CC(C)C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602875806 362855886 /nfs/dbraw/zinc/85/58/86/362855886.db2.gz APUHGGVFQOOJET-HIFRSBDPSA-N 2 2 286.416 0.963 20 0 CCADLP CC(C)(C[NH3+])NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000262548705 535072180 /nfs/dbraw/zinc/07/21/80/535072180.db2.gz OPYSKICRYBXOOZ-CQSZACIVSA-N 2 2 291.395 0.741 20 0 CCADLP CC(C)(C[NH3+])NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000262548705 535072184 /nfs/dbraw/zinc/07/21/84/535072184.db2.gz OPYSKICRYBXOOZ-CQSZACIVSA-N 2 2 291.395 0.741 20 0 CCADLP CC(C)(C(=O)NC1CC[NH+](C2CC2)CC1)[NH+]1CCOCC1 ZINC000346034940 137265014 /nfs/dbraw/zinc/26/50/14/137265014.db2.gz SGWYECLIFSWODY-UHFFFAOYSA-N 2 2 295.427 0.840 20 0 CCADLP [NH3+][C@H]1CCC[N@H+](CCc2nnnn2-c2ccccc2)C1 ZINC000346091823 137266865 /nfs/dbraw/zinc/26/68/65/137266865.db2.gz LWJSYGNUOBCABS-LBPRGKRZSA-N 2 2 272.356 0.628 20 0 CCADLP [NH3+][C@H]1CCC[N@@H+](CCc2nnnn2-c2ccccc2)C1 ZINC000346091823 137266866 /nfs/dbraw/zinc/26/68/66/137266866.db2.gz LWJSYGNUOBCABS-LBPRGKRZSA-N 2 2 272.356 0.628 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000346288085 137277366 /nfs/dbraw/zinc/27/73/66/137277366.db2.gz PBGHXWIOQUZPCI-BZPMIXESSA-N 2 2 281.400 0.483 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000346288085 137277367 /nfs/dbraw/zinc/27/73/67/137277367.db2.gz PBGHXWIOQUZPCI-BZPMIXESSA-N 2 2 281.400 0.483 20 0 CCADLP COC(=O)[C@H](O)C1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000346321382 137278888 /nfs/dbraw/zinc/27/88/88/137278888.db2.gz HODUVBTUCRUDFD-CYBMUJFWSA-N 2 2 281.356 0.437 20 0 CCADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)c2nnnn2C)C1 ZINC000346414709 137284390 /nfs/dbraw/zinc/28/43/90/137284390.db2.gz QGMDSKPVOOCLCO-QWHCGFSZSA-N 2 2 296.419 0.704 20 0 CCADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)c2nnnn2C)C1 ZINC000346414709 137284391 /nfs/dbraw/zinc/28/43/91/137284391.db2.gz QGMDSKPVOOCLCO-QWHCGFSZSA-N 2 2 296.419 0.704 20 0 CCADLP Cc1cc(N2CC[NH+](CC(=O)NC3CC3)CC2)nc(C)[nH+]1 ZINC000043533364 348310790 /nfs/dbraw/zinc/31/07/90/348310790.db2.gz PJHZCVLMDOMLER-UHFFFAOYSA-N 2 2 289.383 0.494 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cn(Cc3cccnc3)nn2)C1 ZINC000346691994 137299399 /nfs/dbraw/zinc/29/93/99/137299399.db2.gz XHMIQYSAFOEDTQ-GXTWGEPZSA-N 2 2 286.383 0.891 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cn(Cc3cccnc3)nn2)C1 ZINC000346691994 137299400 /nfs/dbraw/zinc/29/94/00/137299400.db2.gz XHMIQYSAFOEDTQ-GXTWGEPZSA-N 2 2 286.383 0.891 20 0 CCADLP C[N@H+](CC(N)=O)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346131601 137269079 /nfs/dbraw/zinc/26/90/79/137269079.db2.gz KOFDMMUBTWMFRM-UHFFFAOYSA-N 2 2 250.327 0.851 20 0 CCADLP C[N@@H+](CC(N)=O)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346131601 137269080 /nfs/dbraw/zinc/26/90/80/137269080.db2.gz KOFDMMUBTWMFRM-UHFFFAOYSA-N 2 2 250.327 0.851 20 0 CCADLP CN(C)C(=O)c1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)[nH]1 ZINC000347101681 137319937 /nfs/dbraw/zinc/31/99/37/137319937.db2.gz LELZOELPTSTBND-NSHDSACASA-N 2 2 264.373 0.887 20 0 CCADLP CN(C)C(=O)c1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)[nH]1 ZINC000347101681 137319938 /nfs/dbraw/zinc/31/99/38/137319938.db2.gz LELZOELPTSTBND-NSHDSACASA-N 2 2 264.373 0.887 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000349096039 137386677 /nfs/dbraw/zinc/38/66/77/137386677.db2.gz DUZNKQSBSSGKBX-CYBMUJFWSA-N 2 2 271.405 0.363 20 0 CCADLP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)s1 ZINC000347662442 137348592 /nfs/dbraw/zinc/34/85/92/137348592.db2.gz AVZUTTWQSQRSRZ-SNVBAGLBSA-N 2 2 282.413 0.902 20 0 CCADLP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@@H](C(N)=O)C2)s1 ZINC000347662442 137348593 /nfs/dbraw/zinc/34/85/93/137348593.db2.gz AVZUTTWQSQRSRZ-SNVBAGLBSA-N 2 2 282.413 0.902 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)[C@H]2CCC[NH+]2C)CCO1 ZINC000347661787 137348956 /nfs/dbraw/zinc/34/89/56/137348956.db2.gz KENPCCACGSLPCG-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)[C@H]2CCC[NH+]2C)CCO1 ZINC000347661787 137348957 /nfs/dbraw/zinc/34/89/57/137348957.db2.gz KENPCCACGSLPCG-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP CC[C@H]1C[NH+](CCNC(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC000347661787 137348958 /nfs/dbraw/zinc/34/89/58/137348958.db2.gz KENPCCACGSLPCG-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP CC[C@H]1C[NH+](CCNC(=O)[C@H]2CCC[N@H+]2C)CCO1 ZINC000347661787 137348959 /nfs/dbraw/zinc/34/89/59/137348959.db2.gz KENPCCACGSLPCG-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP COCC[NH+]1CCN(C(=O)c2ccc3c(c2)C[NH2+]C3)CC1 ZINC000347689453 137350359 /nfs/dbraw/zinc/35/03/59/137350359.db2.gz RYBKJUNITOIAIZ-UHFFFAOYSA-N 2 2 289.379 0.694 20 0 CCADLP CC(C)c1nc(NCC[N@H+](C)C2CC2)nc(N(C)C)[nH+]1 ZINC000347911397 137363667 /nfs/dbraw/zinc/36/36/67/137363667.db2.gz BUBMEQRKHYQOCR-UHFFFAOYSA-N 2 2 278.404 0.989 20 0 CCADLP CC(C)c1nc(NCC[N@@H+](C)C2CC2)nc(N(C)C)[nH+]1 ZINC000347911397 137363668 /nfs/dbraw/zinc/36/36/68/137363668.db2.gz BUBMEQRKHYQOCR-UHFFFAOYSA-N 2 2 278.404 0.989 20 0 CCADLP C[N@H+](CC[C@H]1CCC[NH+]1C)C1CC[NH+](CCO)CC1 ZINC000348067428 137371283 /nfs/dbraw/zinc/37/12/83/137371283.db2.gz ACOMWSOWWKTLLK-CQSZACIVSA-N 3 2 269.433 0.859 20 0 CCADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)C1CC[NH+](CCO)CC1 ZINC000348067428 137371284 /nfs/dbraw/zinc/37/12/84/137371284.db2.gz ACOMWSOWWKTLLK-CQSZACIVSA-N 3 2 269.433 0.859 20 0 CCADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCO)CC1 ZINC000348067428 137371285 /nfs/dbraw/zinc/37/12/85/137371285.db2.gz ACOMWSOWWKTLLK-CQSZACIVSA-N 3 2 269.433 0.859 20 0 CCADLP C[NH+](CC[C@H]1CCC[N@H+]1C)C1CC[NH+](CCO)CC1 ZINC000348067428 137371286 /nfs/dbraw/zinc/37/12/86/137371286.db2.gz ACOMWSOWWKTLLK-CQSZACIVSA-N 3 2 269.433 0.859 20 0 CCADLP COC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000050052344 348464261 /nfs/dbraw/zinc/46/42/61/348464261.db2.gz ZIOISJMNPPCDIO-ZDUSSCGKSA-N 2 2 297.399 0.178 20 0 CCADLP COC(=O)C[C@@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000050052344 348464262 /nfs/dbraw/zinc/46/42/62/348464262.db2.gz ZIOISJMNPPCDIO-ZDUSSCGKSA-N 2 2 297.399 0.178 20 0 CCADLP C[C@@H](C[NH3+])C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000054344127 348552366 /nfs/dbraw/zinc/55/23/66/348552366.db2.gz YCWKNZBJGWCSRP-ZDUSSCGKSA-N 2 2 291.395 0.730 20 0 CCADLP C[C@H](C[NH3+])C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000054340725 348552398 /nfs/dbraw/zinc/55/23/98/348552398.db2.gz PSQAFBWKOPUSQF-LLVKDONJSA-N 2 2 267.398 0.987 20 0 CCADLP CC(C)c1noc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)n1 ZINC000063180414 348681442 /nfs/dbraw/zinc/68/14/42/348681442.db2.gz WYULLRZIURPFNB-NSHDSACASA-N 2 2 295.387 0.480 20 0 CCADLP CC(C)c1noc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)n1 ZINC000063180414 348681446 /nfs/dbraw/zinc/68/14/46/348681446.db2.gz WYULLRZIURPFNB-NSHDSACASA-N 2 2 295.387 0.480 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCOCC2(C)C)CC1 ZINC000064517868 348701152 /nfs/dbraw/zinc/70/11/52/348701152.db2.gz XLMRNBNGPISFRB-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCOCC2(C)C)CC1 ZINC000064517868 348701156 /nfs/dbraw/zinc/70/11/56/348701156.db2.gz XLMRNBNGPISFRB-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+]1CCN(C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000065166861 348708216 /nfs/dbraw/zinc/70/82/16/348708216.db2.gz OWLCTJPZYONZIM-KKUMJFAQSA-N 2 2 285.432 0.094 20 0 CCADLP CC[NH+]1CCC([NH2+][C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000069137267 348832959 /nfs/dbraw/zinc/83/29/59/348832959.db2.gz OMPSBDFOQYCFOD-GFCCVEGCSA-N 2 2 260.403 0.638 20 0 CCADLP [NH3+]CC[C@H]1CCCC[N@@H+]1CC(=O)NC(=O)NC1CCCC1 ZINC000070149551 348873317 /nfs/dbraw/zinc/87/33/17/348873317.db2.gz LMJJDSGWZWSCOL-CYBMUJFWSA-N 2 2 296.415 0.958 20 0 CCADLP [NH3+]CC[C@H]1CCCC[N@H+]1CC(=O)NC(=O)NC1CCCC1 ZINC000070149551 348873320 /nfs/dbraw/zinc/87/33/20/348873320.db2.gz LMJJDSGWZWSCOL-CYBMUJFWSA-N 2 2 296.415 0.958 20 0 CCADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N(C)C2CC2)C1 ZINC000072859436 348936581 /nfs/dbraw/zinc/93/65/81/348936581.db2.gz DGRJDWLSRYHTHK-LBPRGKRZSA-N 2 2 253.390 0.881 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N(C)C2CC2)C1 ZINC000072859436 348936583 /nfs/dbraw/zinc/93/65/83/348936583.db2.gz DGRJDWLSRYHTHK-LBPRGKRZSA-N 2 2 253.390 0.881 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N(C)C2CC2)C1 ZINC000072859436 348936585 /nfs/dbraw/zinc/93/65/85/348936585.db2.gz DGRJDWLSRYHTHK-LBPRGKRZSA-N 2 2 253.390 0.881 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC000072859436 348936586 /nfs/dbraw/zinc/93/65/86/348936586.db2.gz DGRJDWLSRYHTHK-LBPRGKRZSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000339617479 215269934 /nfs/dbraw/zinc/26/99/34/215269934.db2.gz PFLBYEPUTOAOKY-MGPQQGTHSA-N 2 2 255.406 0.732 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961193 349235797 /nfs/dbraw/zinc/23/57/97/349235797.db2.gz TYNCJASMINIJNU-ZJUUUORDSA-N 2 2 279.344 0.433 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961193 349235799 /nfs/dbraw/zinc/23/57/99/349235799.db2.gz TYNCJASMINIJNU-ZJUUUORDSA-N 2 2 279.344 0.433 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080973348 349236529 /nfs/dbraw/zinc/23/65/29/349236529.db2.gz WARUCOPQQLGJCC-MNOVXSKESA-N 2 2 293.371 0.823 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080973348 349236531 /nfs/dbraw/zinc/23/65/31/349236531.db2.gz WARUCOPQQLGJCC-MNOVXSKESA-N 2 2 293.371 0.823 20 0 CCADLP C[C@H](C[NH2+][C@H](C)CS(C)(=O)=O)C[NH+]1CCCC1 ZINC000081901165 349287595 /nfs/dbraw/zinc/28/75/95/349287595.db2.gz SJEQHDLDUQYNLD-VXGBXAGGSA-N 2 2 262.419 0.741 20 0 CCADLP CC(C)CN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000081048287 349243247 /nfs/dbraw/zinc/24/32/47/349243247.db2.gz IICPMKDQCUAHEG-OAHLLOKOSA-N 2 2 297.443 0.896 20 0 CCADLP CC(C)CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000081048287 349243250 /nfs/dbraw/zinc/24/32/50/349243250.db2.gz IICPMKDQCUAHEG-OAHLLOKOSA-N 2 2 297.443 0.896 20 0 CCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000081433079 349264708 /nfs/dbraw/zinc/26/47/08/349264708.db2.gz TWSAQLUQGGMMNJ-STQMWFEESA-N 2 2 269.389 0.116 20 0 CCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000081433079 349264710 /nfs/dbraw/zinc/26/47/10/349264710.db2.gz TWSAQLUQGGMMNJ-STQMWFEESA-N 2 2 269.389 0.116 20 0 CCADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000081433079 349264712 /nfs/dbraw/zinc/26/47/12/349264712.db2.gz TWSAQLUQGGMMNJ-STQMWFEESA-N 2 2 269.389 0.116 20 0 CCADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000081433079 349264713 /nfs/dbraw/zinc/26/47/13/349264713.db2.gz TWSAQLUQGGMMNJ-STQMWFEESA-N 2 2 269.389 0.116 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NC(=O)NC)C1 ZINC000081571285 349275641 /nfs/dbraw/zinc/27/56/41/349275641.db2.gz JGJCCGHWIGMFET-NSHDSACASA-N 2 2 270.377 0.106 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NC(=O)NC)C1 ZINC000081571285 349275646 /nfs/dbraw/zinc/27/56/46/349275646.db2.gz JGJCCGHWIGMFET-NSHDSACASA-N 2 2 270.377 0.106 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC(=O)NC)C1 ZINC000081571285 349275649 /nfs/dbraw/zinc/27/56/49/349275649.db2.gz JGJCCGHWIGMFET-NSHDSACASA-N 2 2 270.377 0.106 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC)C1 ZINC000081571285 349275651 /nfs/dbraw/zinc/27/56/51/349275651.db2.gz JGJCCGHWIGMFET-NSHDSACASA-N 2 2 270.377 0.106 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](CC3CC3)C2)CC1 ZINC000339678329 215293957 /nfs/dbraw/zinc/29/39/57/215293957.db2.gz LEGIXEJXZUKAKJ-AWEZNQCLSA-N 2 2 265.401 0.882 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](CC3CC3)C2)CC1 ZINC000339678329 215293961 /nfs/dbraw/zinc/29/39/61/215293961.db2.gz LEGIXEJXZUKAKJ-AWEZNQCLSA-N 2 2 265.401 0.882 20 0 CCADLP C[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1C)[C@H](C)[NH+]1CCOCC1 ZINC000246366742 299163108 /nfs/dbraw/zinc/16/31/08/299163108.db2.gz FVYNOYGQPQJTTK-MELADBBJSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](NC(=O)NC[C@H]1CCC[N@H+]1C)[C@H](C)[NH+]1CCOCC1 ZINC000246366742 299163113 /nfs/dbraw/zinc/16/31/13/299163113.db2.gz FVYNOYGQPQJTTK-MELADBBJSA-N 2 2 298.431 0.489 20 0 CCADLP C[NH2+]CCC[N@H+](C)CC(=O)NC(=O)NCC(C)C ZINC000124961873 350111405 /nfs/dbraw/zinc/11/14/05/350111405.db2.gz KPPVKIYCBGWRPV-UHFFFAOYSA-N 2 2 258.366 0.010 20 0 CCADLP C[NH2+]CCC[N@@H+](C)CC(=O)NC(=O)NCC(C)C ZINC000124961873 350111409 /nfs/dbraw/zinc/11/14/09/350111409.db2.gz KPPVKIYCBGWRPV-UHFFFAOYSA-N 2 2 258.366 0.010 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCOc2ccccc2)[C@@H](C[NH3+])C1 ZINC000124300526 350093941 /nfs/dbraw/zinc/09/39/41/350093941.db2.gz DVMZLWRJRYOAAP-ZDUSSCGKSA-N 2 2 277.368 0.557 20 0 CCADLP C[N@H+]1CCN(C(=O)CCOc2ccccc2)[C@@H](C[NH3+])C1 ZINC000124300526 350093945 /nfs/dbraw/zinc/09/39/45/350093945.db2.gz DVMZLWRJRYOAAP-ZDUSSCGKSA-N 2 2 277.368 0.557 20 0 CCADLP Cc1cnc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)s1 ZINC000124318928 350095605 /nfs/dbraw/zinc/09/56/05/350095605.db2.gz GLLUZILWIYXXAO-LLVKDONJSA-N 2 2 282.413 0.876 20 0 CCADLP C[N@@H+]1CCN(C(=O)c2cccc3cc[nH]c32)[C@H](C[NH3+])C1 ZINC000124338179 350095698 /nfs/dbraw/zinc/09/56/98/350095698.db2.gz HKCBZTHERBLSAW-GFCCVEGCSA-N 2 2 272.352 0.883 20 0 CCADLP C[N@H+]1CCN(C(=O)c2cccc3cc[nH]c32)[C@H](C[NH3+])C1 ZINC000124338179 350095700 /nfs/dbraw/zinc/09/57/00/350095700.db2.gz HKCBZTHERBLSAW-GFCCVEGCSA-N 2 2 272.352 0.883 20 0 CCADLP C[C@H](O)[C@@H]1CCN(c2cc(NCC[NH+](C)C)nc[nH+]2)C1 ZINC000413025620 233307736 /nfs/dbraw/zinc/30/77/36/233307736.db2.gz REVSWKGJBKXZBH-NWDGAFQWSA-N 2 2 279.388 0.657 20 0 CCADLP CC[N@H+](C)CCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271305889 191063063 /nfs/dbraw/zinc/06/30/63/191063063.db2.gz KAQSOATUNTUKJP-UHFFFAOYSA-N 2 2 273.340 0.949 20 0 CCADLP CC[N@@H+](C)CCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271305889 191063064 /nfs/dbraw/zinc/06/30/64/191063064.db2.gz KAQSOATUNTUKJP-UHFFFAOYSA-N 2 2 273.340 0.949 20 0 CCADLP CC(C)C(=O)NCC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000128366244 350191790 /nfs/dbraw/zinc/19/17/90/350191790.db2.gz FQDMJYZVYJQEGE-NEPJUHHUSA-N 2 2 253.390 0.973 20 0 CCADLP CC(C)C(=O)NCC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000128366244 350191793 /nfs/dbraw/zinc/19/17/93/350191793.db2.gz FQDMJYZVYJQEGE-NEPJUHHUSA-N 2 2 253.390 0.973 20 0 CCADLP C[C@]1(CNC(=O)CCn2cc[nH+]c2)CCC[NH2+]C1 ZINC000128963449 350202742 /nfs/dbraw/zinc/20/27/42/350202742.db2.gz UBJMETJZNZBVCL-ZDUSSCGKSA-N 2 2 250.346 0.779 20 0 CCADLP COc1ccc(C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000129052723 350204400 /nfs/dbraw/zinc/20/44/00/350204400.db2.gz ZGHWFXYQWMRVIN-UHFFFAOYSA-N 2 2 291.395 0.901 20 0 CCADLP COc1ccc(C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000129052723 350204402 /nfs/dbraw/zinc/20/44/02/350204402.db2.gz ZGHWFXYQWMRVIN-UHFFFAOYSA-N 2 2 291.395 0.901 20 0 CCADLP O=C(C[C@@H]1COCC[NH2+]1)NCCCCn1cc[nH+]c1 ZINC000129166975 350207606 /nfs/dbraw/zinc/20/76/06/350207606.db2.gz FNHBNCAQGKCGRN-GFCCVEGCSA-N 2 2 266.345 0.158 20 0 CCADLP NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000130875922 350251773 /nfs/dbraw/zinc/25/17/73/350251773.db2.gz WZXDLJPBMOUJOX-NEPJUHHUSA-N 2 2 250.346 0.907 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000131374472 350274182 /nfs/dbraw/zinc/27/41/82/350274182.db2.gz FYYVICYINLWNLC-OAHLLOKOSA-N 2 2 280.368 0.860 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(CO)CCCC1 ZINC000134150009 350356104 /nfs/dbraw/zinc/35/61/04/350356104.db2.gz PKQJMKZQLRXVCS-OLZOCXBDSA-N 2 2 256.390 0.896 20 0 CCADLP COCC[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000105852433 186078816 /nfs/dbraw/zinc/07/88/16/186078816.db2.gz YGXPFBONWSEZRT-UHFFFAOYSA-N 2 2 297.424 0.628 20 0 CCADLP NC(=O)C1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000152434209 350527393 /nfs/dbraw/zinc/52/73/93/350527393.db2.gz ACSPNGDVPGAOAH-UHFFFAOYSA-N 2 2 256.309 0.980 20 0 CCADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000154901672 350602831 /nfs/dbraw/zinc/60/28/31/350602831.db2.gz XFDOIOXTCPBCQH-SOUVJXGZSA-N 3 2 268.449 0.695 20 0 CCADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000154901672 350602836 /nfs/dbraw/zinc/60/28/36/350602836.db2.gz XFDOIOXTCPBCQH-SOUVJXGZSA-N 3 2 268.449 0.695 20 0 CCADLP CSCC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000154796910 350600192 /nfs/dbraw/zinc/60/01/92/350600192.db2.gz VBVJNELYYRZVGX-UHFFFAOYSA-N 2 2 287.473 0.736 20 0 CCADLP CSCC[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000154796910 350600195 /nfs/dbraw/zinc/60/01/95/350600195.db2.gz VBVJNELYYRZVGX-UHFFFAOYSA-N 2 2 287.473 0.736 20 0 CCADLP CCO[C@H]1C[C@]([NH3+])(C(=O)N(C)Cc2[nH+]ccn2C)C1(C)C ZINC000156976296 350637817 /nfs/dbraw/zinc/63/78/17/350637817.db2.gz NWXYTVSZBKQKTJ-NHYWBVRUSA-N 2 2 294.399 0.911 20 0 CCADLP Cc1ccc([C@H](CNC(=O)[C@H](C)[NH3+])[NH+]2CCOCC2)s1 ZINC000157397464 350644104 /nfs/dbraw/zinc/64/41/04/350644104.db2.gz QHHOJEIASCRMHO-RYUDHWBXSA-N 2 2 297.424 0.893 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158759012 350662148 /nfs/dbraw/zinc/66/21/48/350662148.db2.gz QOPSCLQNHCNUSZ-CHWSQXEVSA-N 2 2 289.445 0.342 20 0 CCADLP CCS(=O)(=O)NCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158759012 350662151 /nfs/dbraw/zinc/66/21/51/350662151.db2.gz QOPSCLQNHCNUSZ-CHWSQXEVSA-N 2 2 289.445 0.342 20 0 CCADLP CCS(=O)(=O)NCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158759012 350662153 /nfs/dbraw/zinc/66/21/53/350662153.db2.gz QOPSCLQNHCNUSZ-CHWSQXEVSA-N 2 2 289.445 0.342 20 0 CCADLP CCS(=O)(=O)NCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158759012 350662155 /nfs/dbraw/zinc/66/21/55/350662155.db2.gz QOPSCLQNHCNUSZ-CHWSQXEVSA-N 2 2 289.445 0.342 20 0 CCADLP O=C1CCCN1[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000161795840 350729301 /nfs/dbraw/zinc/72/93/01/350729301.db2.gz WHYNOWLUXLPILK-CYBMUJFWSA-N 2 2 262.357 0.970 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+](Cc2cccnc2)CC1)C1C[NH2+]C1 ZINC000164256505 350777954 /nfs/dbraw/zinc/77/79/54/350777954.db2.gz LFXCPAMOVODNFT-CYBMUJFWSA-N 2 2 288.395 0.581 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cncs1 ZINC000165107196 350787545 /nfs/dbraw/zinc/78/75/45/350787545.db2.gz 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C[C@@H](CNC(=O)C1CC[NH+](C)CC1)Cn1cc[nH+]c1 ZINC000267167920 352749046 /nfs/dbraw/zinc/74/90/46/352749046.db2.gz UABCBLCBEIWWTJ-LBPRGKRZSA-N 2 2 264.373 0.977 20 0 CCADLP Cc1[nH]c(C(=O)NC[C@]2([NH+](C)C)CCSC2)c[nH+]1 ZINC000267165615 352749119 /nfs/dbraw/zinc/74/91/19/352749119.db2.gz ZPCCGAYFOLREGW-GFCCVEGCSA-N 2 2 268.386 0.885 20 0 CCADLP CN1CC[C@@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)C1=O ZINC000267414425 352766425 /nfs/dbraw/zinc/76/64/25/352766425.db2.gz URTJYOZSXAGLSJ-CYBMUJFWSA-N 2 2 285.351 0.930 20 0 CCADLP CN1CC[C@@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)C1=O ZINC000267414425 352766427 /nfs/dbraw/zinc/76/64/27/352766427.db2.gz URTJYOZSXAGLSJ-CYBMUJFWSA-N 2 2 285.351 0.930 20 0 CCADLP CC[N@H+](CC(=O)N(C)Cc1[nH+]ccn1C)C1CC1 ZINC000269688570 352864370 /nfs/dbraw/zinc/86/43/70/352864370.db2.gz NIKYESOZZIOYFB-UHFFFAOYSA-N 2 2 250.346 0.863 20 0 CCADLP CC[N@@H+](CC(=O)N(C)Cc1[nH+]ccn1C)C1CC1 ZINC000269688570 352864371 /nfs/dbraw/zinc/86/43/71/352864371.db2.gz NIKYESOZZIOYFB-UHFFFAOYSA-N 2 2 250.346 0.863 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418735354 234219269 /nfs/dbraw/zinc/21/92/69/234219269.db2.gz XDSMTINXPRZWAH-WOPDTQHZSA-N 2 2 272.393 0.084 20 0 CCADLP CS[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH+](C)C ZINC000270979352 353010864 /nfs/dbraw/zinc/01/08/64/353010864.db2.gz CTNLZRYLSSKVHX-NEPJUHHUSA-N 2 2 282.413 0.777 20 0 CCADLP CC(C)([NH3+])C[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000261808317 535198546 /nfs/dbraw/zinc/19/85/46/535198546.db2.gz PQLRZQGDMUOKHJ-UHFFFAOYSA-N 2 2 289.445 0.614 20 0 CCADLP Cc1cc(NC[C@H](O)C[NH+]2CCOCC2)cc[nH+]1 ZINC000274353964 353122360 /nfs/dbraw/zinc/12/23/60/353122360.db2.gz LKBRGHFAKWMPTQ-ZDUSSCGKSA-N 2 2 251.330 0.495 20 0 CCADLP C[C@H](C[NH3+])NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000274381054 353124322 /nfs/dbraw/zinc/12/43/22/353124322.db2.gz AVQDRCLYTJPRIR-GFCCVEGCSA-N 2 2 277.368 0.596 20 0 CCADLP C[C@@H](CNc1cc(N2CCOCC2)[nH+]cn1)[NH+](C)C ZINC000277381341 353240456 /nfs/dbraw/zinc/24/04/56/353240456.db2.gz IHVLBZCSCFYJNA-NSHDSACASA-N 2 2 265.361 0.675 20 0 CCADLP CN(CC[NH+](C)C)c1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000277777063 353265631 /nfs/dbraw/zinc/26/56/31/353265631.db2.gz LRIUMWIZLGDTPO-CYBMUJFWSA-N 2 2 293.415 0.826 20 0 CCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)CCc1c[nH+]c[nH]1 ZINC000280678806 353375765 /nfs/dbraw/zinc/37/57/65/353375765.db2.gz DORDWVSXYQQGEW-UHFFFAOYSA-N 2 2 294.399 0.912 20 0 CCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)CCc1c[nH+]c[nH]1 ZINC000280678806 353375767 /nfs/dbraw/zinc/37/57/67/353375767.db2.gz DORDWVSXYQQGEW-UHFFFAOYSA-N 2 2 294.399 0.912 20 0 CCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)CCc1c[nH]c[nH+]1 ZINC000280678806 353375768 /nfs/dbraw/zinc/37/57/68/353375768.db2.gz DORDWVSXYQQGEW-UHFFFAOYSA-N 2 2 294.399 0.912 20 0 CCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)CCc1c[nH]c[nH+]1 ZINC000280678806 353375770 /nfs/dbraw/zinc/37/57/70/353375770.db2.gz DORDWVSXYQQGEW-UHFFFAOYSA-N 2 2 294.399 0.912 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H](C)C[NH2+]1 ZINC000655452397 412577577 /nfs/dbraw/zinc/57/75/77/412577577.db2.gz WIDATWSKDIOZDI-IJLUTSLNSA-N 2 2 262.357 0.654 20 0 CCADLP C[C@@]1(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CCC[NH2+]C1 ZINC000655452535 412577910 /nfs/dbraw/zinc/57/79/10/412577910.db2.gz JRQHPVODYPEYQH-SWLSCSKDSA-N 2 2 276.384 0.951 20 0 CCADLP C[C@@]1(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCC[NH2+]C1 ZINC000655452534 412578048 /nfs/dbraw/zinc/57/80/48/412578048.db2.gz JRQHPVODYPEYQH-IUODEOHRSA-N 2 2 276.384 0.951 20 0 CCADLP Cc1cc(NC(=O)N2CC[NH+](C[C@H](C)O)CC2)c(C)c[nH+]1 ZINC000556715650 291001485 /nfs/dbraw/zinc/00/14/85/291001485.db2.gz UBVUCRSQEWSMOZ-ZDUSSCGKSA-N 2 2 292.383 0.651 20 0 CCADLP Cc1nc(NCC[NH+]2CCSCC2)nc(N(C)C)[nH+]1 ZINC000531758543 358478824 /nfs/dbraw/zinc/47/88/24/358478824.db2.gz KBKIKXXCOQAWGB-UHFFFAOYSA-N 2 2 282.417 0.129 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000289835802 353688859 /nfs/dbraw/zinc/68/88/59/353688859.db2.gz DWVYRFVNJJXKQM-LBPRGKRZSA-N 2 2 278.356 0.272 20 0 CCADLP C[C@@H](O)C[N@H+](CCO)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000289918968 353693952 /nfs/dbraw/zinc/69/39/52/353693952.db2.gz UFMRSQHPYKEVKG-GFCCVEGCSA-N 2 2 276.340 0.442 20 0 CCADLP C[C@@H](O)C[N@@H+](CCO)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000289918968 353693954 /nfs/dbraw/zinc/69/39/54/353693954.db2.gz UFMRSQHPYKEVKG-GFCCVEGCSA-N 2 2 276.340 0.442 20 0 CCADLP C[C@H]([C@H](C)[N@H+](C)CCc1c[nH+]cn1C)S(C)(=O)=O ZINC000290095984 353707321 /nfs/dbraw/zinc/70/73/21/353707321.db2.gz RQSYBOTUROPLQT-WDEREUQCSA-N 2 2 273.402 0.716 20 0 CCADLP C[C@H]([C@H](C)[N@@H+](C)CCc1c[nH+]cn1C)S(C)(=O)=O ZINC000290095984 353707322 /nfs/dbraw/zinc/70/73/22/353707322.db2.gz RQSYBOTUROPLQT-WDEREUQCSA-N 2 2 273.402 0.716 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cncn2C)CC1 ZINC000291089391 353767990 /nfs/dbraw/zinc/76/79/90/353767990.db2.gz XCPJECCMAZKJCG-UHFFFAOYSA-N 2 2 294.399 0.927 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655467867 412583605 /nfs/dbraw/zinc/58/36/05/412583605.db2.gz OGAIAKOSCGIUJI-DZGCQCFKSA-N 2 2 281.400 0.167 20 0 CCADLP CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655465973 412583400 /nfs/dbraw/zinc/58/34/00/412583400.db2.gz WNNAVWXWRMPTDH-NWDGAFQWSA-N 2 2 276.384 0.950 20 0 CCADLP C[NH+](C)CCn1nccc1NC(=O)NCc1[nH]cc[nH+]1 ZINC000294249978 353882426 /nfs/dbraw/zinc/88/24/26/353882426.db2.gz PKEAGHUDIOTLGV-UHFFFAOYSA-N 2 2 277.332 0.490 20 0 CCADLP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000296291394 353940356 /nfs/dbraw/zinc/94/03/56/353940356.db2.gz FRKNCERZLDJGDI-ZFWWWQNUSA-N 2 2 291.395 0.832 20 0 CCADLP C[C@@H](O)CNc1cc(NC[C@H](C)C[NH+](C)C)[nH+]cn1 ZINC000298873075 353975070 /nfs/dbraw/zinc/97/50/70/353975070.db2.gz KIYGEADHRKWKTB-WDEREUQCSA-N 2 2 267.377 0.879 20 0 CCADLP C[C@@H](O)CNc1cc(NC[C@H](C)C[NH+](C)C)nc[nH+]1 ZINC000298873075 353975073 /nfs/dbraw/zinc/97/50/73/353975073.db2.gz KIYGEADHRKWKTB-WDEREUQCSA-N 2 2 267.377 0.879 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCN(c2ncccn2)CC1 ZINC000299005695 353982570 /nfs/dbraw/zinc/98/25/70/353982570.db2.gz DHXCBKUUAVIIAY-UHFFFAOYSA-N 2 2 272.356 0.804 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)CN1CC[NH+](C)CC1 ZINC000606371527 363281331 /nfs/dbraw/zinc/28/13/31/363281331.db2.gz BVHLBYCLZWVKNU-HUUCEWRRSA-N 2 2 296.459 0.470 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)CN1CC[NH+](C)CC1 ZINC000606371527 363281333 /nfs/dbraw/zinc/28/13/33/363281333.db2.gz BVHLBYCLZWVKNU-HUUCEWRRSA-N 2 2 296.459 0.470 20 0 CCADLP C[C@@H](O)CNc1cc(N2CC[N@@H+]3CCCC[C@@H]3C2)nc[nH+]1 ZINC000298225911 353962528 /nfs/dbraw/zinc/96/25/28/353962528.db2.gz KJWOFZYCSWTMFW-CHWSQXEVSA-N 2 2 291.399 0.944 20 0 CCADLP C[C@@H](O)CNc1cc(N2CC[N@H+]3CCCC[C@@H]3C2)nc[nH+]1 ZINC000298225911 353962530 /nfs/dbraw/zinc/96/25/30/353962530.db2.gz KJWOFZYCSWTMFW-CHWSQXEVSA-N 2 2 291.399 0.944 20 0 CCADLP OCC[NH+]1CCN(Cc2c[nH+]c3ccccn23)CC1 ZINC000303107445 354095605 /nfs/dbraw/zinc/09/56/05/354095605.db2.gz GHUNONBCTFWTHT-UHFFFAOYSA-N 2 2 260.341 0.444 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)CN2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000303982054 354100099 /nfs/dbraw/zinc/10/00/99/354100099.db2.gz GBDFCGIEMFDGSN-LZWOXQAQSA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)CN2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000303982054 354100106 /nfs/dbraw/zinc/10/01/06/354100106.db2.gz GBDFCGIEMFDGSN-LZWOXQAQSA-N 2 2 297.443 0.237 20 0 CCADLP CC(C)OC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000304352642 354114656 /nfs/dbraw/zinc/11/46/56/354114656.db2.gz VTWNQQHMMRFTHI-LSDHHAIUSA-N 2 2 286.416 0.426 20 0 CCADLP CC(C)OC[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000304352642 354114659 /nfs/dbraw/zinc/11/46/59/354114659.db2.gz VTWNQQHMMRFTHI-LSDHHAIUSA-N 2 2 286.416 0.426 20 0 CCADLP COCC[NH+]1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000607143028 363339259 /nfs/dbraw/zinc/33/92/59/363339259.db2.gz UTULVEPQPXTUCC-UHFFFAOYSA-N 2 2 288.355 0.431 20 0 CCADLP [NH3+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655481609 412587169 /nfs/dbraw/zinc/58/71/69/412587169.db2.gz MGKUEGQHODHMMB-IJLUTSLNSA-N 2 2 262.357 0.832 20 0 CCADLP CC[C@H]1CCCCN1C(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313352159 354213797 /nfs/dbraw/zinc/21/37/97/354213797.db2.gz NREKVZNBJFUWDS-KBPBESRZSA-N 2 2 283.416 0.827 20 0 CCADLP CC[C@H]1CCCCN1C(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313352159 354213801 /nfs/dbraw/zinc/21/38/01/354213801.db2.gz NREKVZNBJFUWDS-KBPBESRZSA-N 2 2 283.416 0.827 20 0 CCADLP CN(C)c1nc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc[nH+]1 ZINC000607144833 363339841 /nfs/dbraw/zinc/33/98/41/363339841.db2.gz UJXOJUFQVDVNFB-CHWSQXEVSA-N 2 2 291.399 0.578 20 0 CCADLP CCO[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C[NH3+] ZINC000655486444 412588784 /nfs/dbraw/zinc/58/87/84/412588784.db2.gz UWNZZNGHPPXCFB-JHJVBQTASA-N 2 2 292.383 0.268 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)N(C)Cc2[nH+]ccn2C)[N@H+](C)C1 ZINC000330512373 354387909 /nfs/dbraw/zinc/38/79/09/354387909.db2.gz CHSHCNBARXUPRC-QWRGUYRKSA-N 2 2 266.345 0.098 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)N(C)Cc2[nH+]ccn2C)[N@@H+](C)C1 ZINC000330512373 354387910 /nfs/dbraw/zinc/38/79/10/354387910.db2.gz CHSHCNBARXUPRC-QWRGUYRKSA-N 2 2 266.345 0.098 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)NC[C@H](c2ccco2)[NH+](C)C)[N@H+](C)C1 ZINC000330533485 354397581 /nfs/dbraw/zinc/39/75/81/354397581.db2.gz OCPVLQBRGNYRDX-RWMBFGLXSA-N 2 2 295.383 0.718 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)NC[C@H](c2ccco2)[NH+](C)C)[N@@H+](C)C1 ZINC000330533485 354397584 /nfs/dbraw/zinc/39/75/84/354397584.db2.gz OCPVLQBRGNYRDX-RWMBFGLXSA-N 2 2 295.383 0.718 20 0 CCADLP COC(=O)[C@](C)(O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000331202643 354490031 /nfs/dbraw/zinc/49/00/31/354490031.db2.gz WGCWCYQFICLPSV-OUCADQQQSA-N 2 2 281.356 0.690 20 0 CCADLP COC(=O)[C@](C)(O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000331202643 354490035 /nfs/dbraw/zinc/49/00/35/354490035.db2.gz WGCWCYQFICLPSV-OUCADQQQSA-N 2 2 281.356 0.690 20 0 CCADLP O[C@@H](Cn1cccn1)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000331404329 354564756 /nfs/dbraw/zinc/56/47/56/354564756.db2.gz MYHKYQPZDWDOHL-CYBMUJFWSA-N 2 2 275.356 0.847 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCC[NH2+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488908 412593181 /nfs/dbraw/zinc/59/31/81/412593181.db2.gz IOGUCATXDLAXGN-NDBYEHHHSA-N 2 2 269.389 0.352 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCC[NH2+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488908 412593185 /nfs/dbraw/zinc/59/31/85/412593185.db2.gz IOGUCATXDLAXGN-NDBYEHHHSA-N 2 2 269.389 0.352 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+](C2CC2)CC1)[NH+]1CC(C)C1 ZINC000557575939 291036843 /nfs/dbraw/zinc/03/68/43/291036843.db2.gz QHALYZYSAIDMSZ-LBPRGKRZSA-N 2 2 251.374 0.633 20 0 CCADLP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC[NH2+]1 ZINC000262347939 291038381 /nfs/dbraw/zinc/03/83/81/291038381.db2.gz HZWDBOLHHKEUQM-KKUMJFAQSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1cnn(C)c1)[C@H]1CCC[NH2+]1 ZINC000333640295 354767943 /nfs/dbraw/zinc/76/79/43/354767943.db2.gz XEHFRQQMCZKSGG-ZRJCITRHSA-N 2 2 264.373 0.980 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000608013385 363392409 /nfs/dbraw/zinc/39/24/09/363392409.db2.gz CCXMGCUVOHGPLJ-CYBMUJFWSA-N 2 2 262.357 0.970 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[NH2+]C[C@H]1C ZINC000334596626 354905335 /nfs/dbraw/zinc/90/53/35/354905335.db2.gz FSCQDBJHTHLWIR-WDEREUQCSA-N 2 2 251.334 0.275 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000334711717 354929499 /nfs/dbraw/zinc/92/94/99/354929499.db2.gz DLIULNHLCIRABE-GHMZBOCLSA-N 2 2 250.346 0.743 20 0 CCADLP O=C1[C@H]([N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CCN1C1CC1 ZINC000334981576 354939054 /nfs/dbraw/zinc/93/90/54/354939054.db2.gz STQKZSQAGMLSRB-HIFRSBDPSA-N 2 2 263.385 0.825 20 0 CCADLP O=C1[C@H]([N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CCN1C1CC1 ZINC000334981576 354939058 /nfs/dbraw/zinc/93/90/58/354939058.db2.gz STQKZSQAGMLSRB-HIFRSBDPSA-N 2 2 263.385 0.825 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000423586870 235013186 /nfs/dbraw/zinc/01/31/86/235013186.db2.gz DFIBDYDOOCVGEZ-SNPRPXQTSA-N 2 2 295.427 0.602 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000423586870 235013189 /nfs/dbraw/zinc/01/31/89/235013189.db2.gz DFIBDYDOOCVGEZ-SNPRPXQTSA-N 2 2 295.427 0.602 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)N[C@H]3CC[NH2+]C3)cn21 ZINC000335200280 354984434 /nfs/dbraw/zinc/98/44/34/354984434.db2.gz UAJAHHCPFGQVEF-NSHDSACASA-N 2 2 273.340 0.804 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN2C(=O)NC[C@H]2C1 ZINC000335865759 355032017 /nfs/dbraw/zinc/03/20/17/355032017.db2.gz QJDNIHQDHVOARV-STQMWFEESA-N 2 2 266.389 0.570 20 0 CCADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN2C(=O)NC[C@H]2C1 ZINC000335865759 355032021 /nfs/dbraw/zinc/03/20/21/355032021.db2.gz QJDNIHQDHVOARV-STQMWFEESA-N 2 2 266.389 0.570 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000335865759 355032025 /nfs/dbraw/zinc/03/20/25/355032025.db2.gz QJDNIHQDHVOARV-STQMWFEESA-N 2 2 266.389 0.570 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000335865759 355032029 /nfs/dbraw/zinc/03/20/29/355032029.db2.gz QJDNIHQDHVOARV-STQMWFEESA-N 2 2 266.389 0.570 20 0 CCADLP Cc1nc(N2CCN(C(=O)C3([NH3+])CCCC3)CC2)cc[nH+]1 ZINC000423776388 235076099 /nfs/dbraw/zinc/07/60/99/235076099.db2.gz DZOHAJOKLBYVSF-UHFFFAOYSA-N 2 2 289.383 0.705 20 0 CCADLP C[C@@H](C[NH3+])C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000423923434 235119941 /nfs/dbraw/zinc/11/99/41/235119941.db2.gz BYXKEDOTSNQOES-NWDGAFQWSA-N 2 2 292.383 0.722 20 0 CCADLP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000336794637 355167386 /nfs/dbraw/zinc/16/73/86/355167386.db2.gz DMGRFWCHGLGGNI-TUAOUCFPSA-N 2 2 257.378 0.027 20 0 CCADLP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000336794637 355167390 /nfs/dbraw/zinc/16/73/90/355167390.db2.gz DMGRFWCHGLGGNI-TUAOUCFPSA-N 2 2 257.378 0.027 20 0 CCADLP OC1(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CCC1 ZINC000336691978 355137185 /nfs/dbraw/zinc/13/71/85/355137185.db2.gz BLAWYYXOXLBARZ-ZDUSSCGKSA-N 2 2 254.374 0.556 20 0 CCADLP OC1(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CCC1 ZINC000336691978 355137186 /nfs/dbraw/zinc/13/71/86/355137186.db2.gz BLAWYYXOXLBARZ-ZDUSSCGKSA-N 2 2 254.374 0.556 20 0 CCADLP C[NH+]1CCC([N@H+](CCO)C[C@H]2CCCOC2)CC1 ZINC000336714781 355146809 /nfs/dbraw/zinc/14/68/09/355146809.db2.gz QMIQQCXKLMDCDU-CYBMUJFWSA-N 2 2 256.390 0.802 20 0 CCADLP C[NH+]1CCC([N@@H+](CCO)C[C@H]2CCCOC2)CC1 ZINC000336714781 355146813 /nfs/dbraw/zinc/14/68/13/355146813.db2.gz QMIQQCXKLMDCDU-CYBMUJFWSA-N 2 2 256.390 0.802 20 0 CCADLP CC(C)[C@@H](O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000336785248 355158640 /nfs/dbraw/zinc/15/86/40/355158640.db2.gz CCYGXNYXZJYZOR-LBPRGKRZSA-N 2 2 252.362 0.559 20 0 CCADLP C[C@@H]1C[C@H]([NH+](C)CCS(=O)(=O)N(C)C)CC[N@@H+]1C ZINC000336785920 355158677 /nfs/dbraw/zinc/15/86/77/355158677.db2.gz GLNKHBJHEZAHJU-VXGBXAGGSA-N 2 2 277.434 0.292 20 0 CCADLP C[C@@H]1C[C@H]([NH+](C)CCS(=O)(=O)N(C)C)CC[N@H+]1C ZINC000336785920 355158678 /nfs/dbraw/zinc/15/86/78/355158678.db2.gz GLNKHBJHEZAHJU-VXGBXAGGSA-N 2 2 277.434 0.292 20 0 CCADLP C[C@@H]1C[C@H]([N@H+](C)CCS(=O)(=O)N(C)C)CC[NH+]1C ZINC000336785920 355158679 /nfs/dbraw/zinc/15/86/79/355158679.db2.gz GLNKHBJHEZAHJU-VXGBXAGGSA-N 2 2 277.434 0.292 20 0 CCADLP C[C@@H]1C[C@H]([N@@H+](C)CCS(=O)(=O)N(C)C)CC[NH+]1C ZINC000336785920 355158680 /nfs/dbraw/zinc/15/86/80/355158680.db2.gz GLNKHBJHEZAHJU-VXGBXAGGSA-N 2 2 277.434 0.292 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCN(Cc2nccn2C)CC1 ZINC000336836439 355208380 /nfs/dbraw/zinc/20/83/80/355208380.db2.gz LSTBTEULDQSCAB-UHFFFAOYSA-N 2 2 288.399 0.743 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+]([C@@H]2CCN(C3CC3)C2=O)CC1 ZINC000336839871 355210767 /nfs/dbraw/zinc/21/07/67/355210767.db2.gz KWIAAXPTYJVUCZ-CYBMUJFWSA-N 2 2 289.383 0.305 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000336842507 355213678 /nfs/dbraw/zinc/21/36/78/355213678.db2.gz SPSRWMRECNJOKE-CABCVRRESA-N 2 2 294.443 0.367 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000336842507 355213680 /nfs/dbraw/zinc/21/36/80/355213680.db2.gz SPSRWMRECNJOKE-CABCVRRESA-N 2 2 294.443 0.367 20 0 CCADLP c1c[nH+]c(CN2CC[NH+](CCOCC3CC3)CC2)[nH]1 ZINC000336797850 355170060 /nfs/dbraw/zinc/17/00/60/355170060.db2.gz BVGMTLGELNBJNN-UHFFFAOYSA-N 2 2 264.373 0.954 20 0 CCADLP CN1CC[C@H]([N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1=O ZINC000336800418 355174235 /nfs/dbraw/zinc/17/42/35/355174235.db2.gz MARFBGVCGXGIJT-OLZOCXBDSA-N 2 2 261.325 0.765 20 0 CCADLP CN1CC[C@H]([N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1=O ZINC000336800418 355174237 /nfs/dbraw/zinc/17/42/37/355174237.db2.gz MARFBGVCGXGIJT-OLZOCXBDSA-N 2 2 261.325 0.765 20 0 CCADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)C1CC[NH2+]CC1 ZINC000424182161 235173482 /nfs/dbraw/zinc/17/34/82/235173482.db2.gz YSGDLJKECDRYRY-SNVBAGLBSA-N 2 2 261.316 0.347 20 0 CCADLP [NH3+]CC1(CC(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC000424199749 235176586 /nfs/dbraw/zinc/17/65/86/235176586.db2.gz ZFUPCISEOLOXSU-VIFPVBQESA-N 2 2 261.316 0.476 20 0 CCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000287392646 291063191 /nfs/dbraw/zinc/06/31/91/291063191.db2.gz PBHFUQFIWMAGCT-ZJRBINPNSA-N 2 2 290.367 0.745 20 0 CCADLP CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2noc(C[NH3+])n2)C1 ZINC000337070181 355261287 /nfs/dbraw/zinc/26/12/87/355261287.db2.gz MSYRSVBSCYVREA-LLVKDONJSA-N 2 2 295.387 0.657 20 0 CCADLP CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2noc(C[NH3+])n2)C1 ZINC000337070181 355261291 /nfs/dbraw/zinc/26/12/91/355261291.db2.gz MSYRSVBSCYVREA-LLVKDONJSA-N 2 2 295.387 0.657 20 0 CCADLP COCC[C@@H](C)[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424298003 235196727 /nfs/dbraw/zinc/19/67/27/235196727.db2.gz RSWJXMNOSIMDFQ-KGYLQXTDSA-N 2 2 252.362 0.572 20 0 CCADLP COCC[C@@H](C)[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424298003 235196729 /nfs/dbraw/zinc/19/67/29/235196729.db2.gz RSWJXMNOSIMDFQ-KGYLQXTDSA-N 2 2 252.362 0.572 20 0 CCADLP C[C@H]1C[N@H+](CCN(C)CC[NH+]2CCCC2)CCO1 ZINC000337260752 355292761 /nfs/dbraw/zinc/29/27/61/355292761.db2.gz XFLRCMNGEICPCY-AWEZNQCLSA-N 2 2 255.406 0.735 20 0 CCADLP C[C@H]1C[N@@H+](CCN(C)CC[NH+]2CCCC2)CCO1 ZINC000337260752 355292767 /nfs/dbraw/zinc/29/27/67/355292767.db2.gz XFLRCMNGEICPCY-AWEZNQCLSA-N 2 2 255.406 0.735 20 0 CCADLP COCCn1cc(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)cn1 ZINC000337268778 355293929 /nfs/dbraw/zinc/29/39/29/355293929.db2.gz YBCWZRSKMRERRE-AAEUAGOBSA-N 2 2 252.362 0.569 20 0 CCADLP COCCn1cc(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)cn1 ZINC000337268778 355293932 /nfs/dbraw/zinc/29/39/32/355293932.db2.gz YBCWZRSKMRERRE-AAEUAGOBSA-N 2 2 252.362 0.569 20 0 CCADLP C[N@H+](CCC[NH+]1CCCC1)CC(=O)NC(=O)NC1CC1 ZINC000337282005 355296157 /nfs/dbraw/zinc/29/61/57/355296157.db2.gz WXHJKWBZFNSJGM-UHFFFAOYSA-N 2 2 282.388 0.392 20 0 CCADLP C[N@@H+](CCC[NH+]1CCCC1)CC(=O)NC(=O)NC1CC1 ZINC000337282005 355296165 /nfs/dbraw/zinc/29/61/65/355296165.db2.gz WXHJKWBZFNSJGM-UHFFFAOYSA-N 2 2 282.388 0.392 20 0 CCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338187680 355310800 /nfs/dbraw/zinc/31/08/00/355310800.db2.gz JOTWLUIKRMWHMO-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338187680 355310802 /nfs/dbraw/zinc/31/08/02/355310802.db2.gz JOTWLUIKRMWHMO-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+](CC)CCCN(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000338313063 355318686 /nfs/dbraw/zinc/31/86/86/355318686.db2.gz HJWLRKVLMOOLSP-OAHLLOKOSA-N 2 2 287.448 0.343 20 0 CCADLP C[C@H]1C[C@H]1CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340256689 355539158 /nfs/dbraw/zinc/53/91/58/355539158.db2.gz YWXWHXWMPYXZPN-STQMWFEESA-N 2 2 282.432 0.968 20 0 CCADLP C[C@@H](CO[C@H]1CCOC1)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425339595 235287066 /nfs/dbraw/zinc/28/70/66/235287066.db2.gz CSJNYBGIYFUCHS-AAEUAGOBSA-N 2 2 282.388 0.770 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000341468761 355677355 /nfs/dbraw/zinc/67/73/55/355677355.db2.gz VUJAKDUFLZJAKB-CHWSQXEVSA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000341468761 355677360 /nfs/dbraw/zinc/67/73/60/355677360.db2.gz VUJAKDUFLZJAKB-CHWSQXEVSA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC000341468761 355677363 /nfs/dbraw/zinc/67/73/63/355677363.db2.gz VUJAKDUFLZJAKB-CHWSQXEVSA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC000341468761 355677366 /nfs/dbraw/zinc/67/73/66/355677366.db2.gz VUJAKDUFLZJAKB-CHWSQXEVSA-N 2 2 297.399 0.176 20 0 CCADLP CN1CC[C@H]([N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)C1=O ZINC000334495083 283118234 /nfs/dbraw/zinc/11/82/34/283118234.db2.gz GFBOTIIZEHBBHA-JSGCOSHPSA-N 2 2 251.374 0.635 20 0 CCADLP CN1CC[C@H]([N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)C1=O ZINC000334495083 283118237 /nfs/dbraw/zinc/11/82/37/283118237.db2.gz GFBOTIIZEHBBHA-JSGCOSHPSA-N 2 2 251.374 0.635 20 0 CCADLP CN1CC[C@H]([NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)C1=O ZINC000334495083 283118240 /nfs/dbraw/zinc/11/82/40/283118240.db2.gz GFBOTIIZEHBBHA-JSGCOSHPSA-N 2 2 251.374 0.635 20 0 CCADLP CN1CC[C@H]([NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)C1=O ZINC000334495083 283118244 /nfs/dbraw/zinc/11/82/44/283118244.db2.gz GFBOTIIZEHBBHA-JSGCOSHPSA-N 2 2 251.374 0.635 20 0 CCADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000345376790 355809340 /nfs/dbraw/zinc/80/93/40/355809340.db2.gz CIZRZUDSAORRLB-GXSJLCMTSA-N 2 2 286.326 0.941 20 0 CCADLP Fc1cnc(N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)nc1 ZINC000347001291 355875338 /nfs/dbraw/zinc/87/53/38/355875338.db2.gz HHLYLAZDHQECEO-LBPRGKRZSA-N 2 2 279.363 0.737 20 0 CCADLP O=C(C[NH+]1CCCC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000348254430 355897084 /nfs/dbraw/zinc/89/70/84/355897084.db2.gz DHUIAYTWFCQCCU-CYBMUJFWSA-N 2 2 267.373 0.015 20 0 CCADLP Cc1cnn(C)c1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000348264515 355899059 /nfs/dbraw/zinc/89/90/59/355899059.db2.gz XZNZDGNCZZGPOS-UHFFFAOYSA-N 2 2 266.389 0.665 20 0 CCADLP COCC[C@](C)(O)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000352901794 356107039 /nfs/dbraw/zinc/10/70/39/356107039.db2.gz LVCBNDSBMDDAKO-XBFCOCLRSA-N 2 2 256.390 0.846 20 0 CCADLP COCC[C@](C)(O)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000352901794 356107041 /nfs/dbraw/zinc/10/70/41/356107041.db2.gz LVCBNDSBMDDAKO-XBFCOCLRSA-N 2 2 256.390 0.846 20 0 CCADLP COCC[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)C(=O)OC)C1 ZINC000352926058 356113697 /nfs/dbraw/zinc/11/36/97/356113697.db2.gz SAYUEQCBRINPAX-LBPRGKRZSA-N 2 2 272.389 0.886 20 0 CCADLP COCC[N@H+]1CC[C@H]([NH2+]CCC(C)(C)C(=O)OC)C1 ZINC000352926058 356113700 /nfs/dbraw/zinc/11/37/00/356113700.db2.gz SAYUEQCBRINPAX-LBPRGKRZSA-N 2 2 272.389 0.886 20 0 CCADLP COCCC[NH+]1CCC(NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000352975132 356124248 /nfs/dbraw/zinc/12/42/48/356124248.db2.gz YIGGFHYQDPLCGB-UHFFFAOYSA-N 2 2 294.399 0.959 20 0 CCADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)C(C)(C)n1cncn1 ZINC000353427594 356219627 /nfs/dbraw/zinc/21/96/27/356219627.db2.gz OXXOUWGNIZZXCN-OLZOCXBDSA-N 2 2 280.420 0.237 20 0 CCADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)C(C)(C)n1cncn1 ZINC000353427594 356219632 /nfs/dbraw/zinc/21/96/32/356219632.db2.gz OXXOUWGNIZZXCN-OLZOCXBDSA-N 2 2 280.420 0.237 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000353457254 356226286 /nfs/dbraw/zinc/22/62/86/356226286.db2.gz GLENRXDGBKIQQG-AWEZNQCLSA-N 2 2 288.351 0.521 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H](N)C(F)(F)F)CC1 ZINC000353461937 356228326 /nfs/dbraw/zinc/22/83/26/356228326.db2.gz RWZYQSYMGQZMPT-JTQLQIEISA-N 2 2 296.337 0.018 20 0 CCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]([NH3+])CC(C)C)CC1 ZINC000353470226 356230899 /nfs/dbraw/zinc/23/08/99/356230899.db2.gz JIMZAMOLUWSYQB-CYBMUJFWSA-N 2 2 298.431 0.030 20 0 CCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]([NH3+])CC(C)C)CC1 ZINC000353470226 356230902 /nfs/dbraw/zinc/23/09/02/356230902.db2.gz JIMZAMOLUWSYQB-CYBMUJFWSA-N 2 2 298.431 0.030 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000353577582 356252751 /nfs/dbraw/zinc/25/27/51/356252751.db2.gz KRYWSAMKDOOPAN-HNNXBMFYSA-N 2 2 293.415 0.582 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000353649115 356266052 /nfs/dbraw/zinc/26/60/52/356266052.db2.gz VTTCAHPYHOAPGT-CYBMUJFWSA-N 2 2 279.388 0.048 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)Cn1cc[nH+]c1 ZINC000360820691 138012325 /nfs/dbraw/zinc/01/23/25/138012325.db2.gz WIMJCQWYSYVIDO-ZJUUUORDSA-N 2 2 272.299 0.633 20 0 CCADLP C[C@@]1(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CCC[NH2+]C1 ZINC000353681380 356272344 /nfs/dbraw/zinc/27/23/44/356272344.db2.gz QIMTZCDTNABWEV-UKRRQHHQSA-N 2 2 281.400 0.356 20 0 CCADLP C[C@@]1(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CCC[NH2+]C1 ZINC000353681380 356272345 /nfs/dbraw/zinc/27/23/45/356272345.db2.gz QIMTZCDTNABWEV-UKRRQHHQSA-N 2 2 281.400 0.356 20 0 CCADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc2c(c1)OCC(=O)N2 ZINC000353504146 356240321 /nfs/dbraw/zinc/24/03/21/356240321.db2.gz QFXDRMPMDGGVEQ-JQWIXIFHSA-N 2 2 293.367 0.591 20 0 CCADLP COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000140016644 291089960 /nfs/dbraw/zinc/08/99/60/291089960.db2.gz ABNOEDGPPFFUFH-JHJVBQTASA-N 2 2 297.399 0.080 20 0 CCADLP COC(=O)CNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000140016644 291089961 /nfs/dbraw/zinc/08/99/61/291089961.db2.gz ABNOEDGPPFFUFH-JHJVBQTASA-N 2 2 297.399 0.080 20 0 CCADLP COC(=O)CNC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000140016644 291089962 /nfs/dbraw/zinc/08/99/62/291089962.db2.gz ABNOEDGPPFFUFH-JHJVBQTASA-N 2 2 297.399 0.080 20 0 CCADLP COC(=O)CNC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000140016644 291089963 /nfs/dbraw/zinc/08/99/63/291089963.db2.gz ABNOEDGPPFFUFH-JHJVBQTASA-N 2 2 297.399 0.080 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+]C2(CO)CC2)CC1 ZINC000360964576 138017187 /nfs/dbraw/zinc/01/71/87/138017187.db2.gz UZJHBSWVAXDZQG-UHFFFAOYSA-N 2 2 270.373 0.519 20 0 CCADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc([S@@](C)=O)cc1 ZINC000361233633 138025879 /nfs/dbraw/zinc/02/58/79/138025879.db2.gz ZPZFJSQAYIOIMK-CENXUZMRSA-N 2 2 284.425 0.997 20 0 CCADLP C[N@@H+]1CCO[C@H](CNc2cc[nH+]c(N3CCCCC3)n2)C1 ZINC000354076653 356342886 /nfs/dbraw/zinc/34/28/86/356342886.db2.gz UNVQSBHWRFMVPP-CYBMUJFWSA-N 2 2 291.399 0.631 20 0 CCADLP C[N@H+]1CCO[C@H](CNc2cc[nH+]c(N3CCCCC3)n2)C1 ZINC000354076653 356342891 /nfs/dbraw/zinc/34/28/91/356342891.db2.gz UNVQSBHWRFMVPP-CYBMUJFWSA-N 2 2 291.399 0.631 20 0 CCADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000354089817 356345134 /nfs/dbraw/zinc/34/51/34/356345134.db2.gz GEUUCTASLINOKQ-CHWSQXEVSA-N 2 2 285.432 0.942 20 0 CCADLP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000354089817 356345137 /nfs/dbraw/zinc/34/51/37/356345137.db2.gz GEUUCTASLINOKQ-CHWSQXEVSA-N 2 2 285.432 0.942 20 0 CCADLP CN(C)c1nc(NCCNc2cccc[nH+]2)cc[nH+]1 ZINC000354091786 356345755 /nfs/dbraw/zinc/34/57/55/356345755.db2.gz LUWVDRWSCGBTAT-UHFFFAOYSA-N 2 2 258.329 0.884 20 0 CCADLP Cn1nncc1C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000354102268 356347308 /nfs/dbraw/zinc/34/73/08/356347308.db2.gz ZGWXLZDVRKFMDG-CYBMUJFWSA-N 2 2 263.389 0.979 20 0 CCADLP Cn1nncc1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000354102268 356347312 /nfs/dbraw/zinc/34/73/12/356347312.db2.gz ZGWXLZDVRKFMDG-CYBMUJFWSA-N 2 2 263.389 0.979 20 0 CCADLP Cn1nncc1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000354102268 356347315 /nfs/dbraw/zinc/34/73/15/356347315.db2.gz ZGWXLZDVRKFMDG-CYBMUJFWSA-N 2 2 263.389 0.979 20 0 CCADLP Cn1nncc1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000354102268 356347318 /nfs/dbraw/zinc/34/73/18/356347318.db2.gz ZGWXLZDVRKFMDG-CYBMUJFWSA-N 2 2 263.389 0.979 20 0 CCADLP C[C@@H]1C[C@H](C)C[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000354219168 356369286 /nfs/dbraw/zinc/36/92/86/356369286.db2.gz COSNYWULXHZZIS-UONOGXRCSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000354219168 356369290 /nfs/dbraw/zinc/36/92/90/356369290.db2.gz COSNYWULXHZZIS-UONOGXRCSA-N 2 2 297.443 0.944 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCNC2=O)C[C@@H]1C ZINC000354207347 356366386 /nfs/dbraw/zinc/36/63/86/356366386.db2.gz MNIJQBXHWRIUKC-RYUDHWBXSA-N 2 2 282.388 0.343 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCNC2=O)C[C@@H]1C ZINC000354207347 356366389 /nfs/dbraw/zinc/36/63/89/356366389.db2.gz MNIJQBXHWRIUKC-RYUDHWBXSA-N 2 2 282.388 0.343 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCNC2=O)C[C@@H]1C ZINC000354207347 356366393 /nfs/dbraw/zinc/36/63/93/356366393.db2.gz MNIJQBXHWRIUKC-RYUDHWBXSA-N 2 2 282.388 0.343 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCNC2=O)C[C@@H]1C ZINC000354207347 356366395 /nfs/dbraw/zinc/36/63/95/356366395.db2.gz MNIJQBXHWRIUKC-RYUDHWBXSA-N 2 2 282.388 0.343 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000362453491 138060129 /nfs/dbraw/zinc/06/01/29/138060129.db2.gz YVLPBRINIOVPKR-WDEREUQCSA-N 2 2 250.346 0.576 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000362453491 138060130 /nfs/dbraw/zinc/06/01/30/138060130.db2.gz YVLPBRINIOVPKR-WDEREUQCSA-N 2 2 250.346 0.576 20 0 CCADLP CN1CC[N@H+](C)[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC000362777500 138074160 /nfs/dbraw/zinc/07/41/60/138074160.db2.gz XFFOHAHFWROKOU-AWEZNQCLSA-N 2 2 282.432 0.080 20 0 CCADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC000362777500 138074161 /nfs/dbraw/zinc/07/41/61/138074161.db2.gz XFFOHAHFWROKOU-AWEZNQCLSA-N 2 2 282.432 0.080 20 0 CCADLP CC(C)OCC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362824549 138076269 /nfs/dbraw/zinc/07/62/69/138076269.db2.gz AQZBKSQHFHUDEK-ZDUSSCGKSA-N 2 2 269.389 0.308 20 0 CCADLP CC(C)OCC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362824549 138076270 /nfs/dbraw/zinc/07/62/70/138076270.db2.gz AQZBKSQHFHUDEK-ZDUSSCGKSA-N 2 2 269.389 0.308 20 0 CCADLP CC[C@H]1C[N@H+](CCNc2[nH+]cnc3[nH]ccc32)CCO1 ZINC000362681663 138069590 /nfs/dbraw/zinc/06/95/90/138069590.db2.gz RKRAOVDKUYSZGR-NSHDSACASA-N 2 2 275.356 0.903 20 0 CCADLP CC[C@H]1C[N@@H+](CCNc2[nH+]cnc3[nH]ccc32)CCO1 ZINC000362681663 138069591 /nfs/dbraw/zinc/06/95/91/138069591.db2.gz RKRAOVDKUYSZGR-NSHDSACASA-N 2 2 275.356 0.903 20 0 CCADLP Cc1cc(N2CC[NH2+][C@@H](C(N)=O)C2)nc(-c2ccncc2)[nH+]1 ZINC000363186910 138087277 /nfs/dbraw/zinc/08/72/77/138087277.db2.gz ZWJRMVLOZYVHGU-GFCCVEGCSA-N 2 2 298.350 0.111 20 0 CCADLP C[N@@H+]1CC[C@]2(CC[NH+](C[C@H](O)C(F)(F)F)C2)C1 ZINC000335570424 283170302 /nfs/dbraw/zinc/17/03/02/283170302.db2.gz OXNVBWHWXIRUBX-UWVGGRQHSA-N 2 2 252.280 0.937 20 0 CCADLP C[N@H+]1CC[C@]2(CC[NH+](C[C@H](O)C(F)(F)F)C2)C1 ZINC000335570424 283170303 /nfs/dbraw/zinc/17/03/03/283170303.db2.gz OXNVBWHWXIRUBX-UWVGGRQHSA-N 2 2 252.280 0.937 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@H+](C[C@H](O)C(F)(F)F)C2)C1 ZINC000335570424 283170304 /nfs/dbraw/zinc/17/03/04/283170304.db2.gz OXNVBWHWXIRUBX-UWVGGRQHSA-N 2 2 252.280 0.937 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@@H+](C[C@H](O)C(F)(F)F)C2)C1 ZINC000335570424 283170305 /nfs/dbraw/zinc/17/03/05/283170305.db2.gz OXNVBWHWXIRUBX-UWVGGRQHSA-N 2 2 252.280 0.937 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)CC1CC[NH2+]CC1 ZINC000430880137 235531097 /nfs/dbraw/zinc/53/10/97/235531097.db2.gz RVEATELXOKFUTN-LBPRGKRZSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)CC1CC[NH2+]CC1 ZINC000430880137 235531099 /nfs/dbraw/zinc/53/10/99/235531099.db2.gz RVEATELXOKFUTN-LBPRGKRZSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000354983305 356544354 /nfs/dbraw/zinc/54/43/54/356544354.db2.gz DZRJIOBQEDELFJ-QWHCGFSZSA-N 2 2 269.389 0.117 20 0 CCADLP C[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000354983305 356544360 /nfs/dbraw/zinc/54/43/60/356544360.db2.gz DZRJIOBQEDELFJ-QWHCGFSZSA-N 2 2 269.389 0.117 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000355070962 356566874 /nfs/dbraw/zinc/56/68/74/356566874.db2.gz NNVHXUHKVDCPLB-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000355070962 356566879 /nfs/dbraw/zinc/56/68/79/356566879.db2.gz NNVHXUHKVDCPLB-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000355070962 356566882 /nfs/dbraw/zinc/56/68/82/356566882.db2.gz NNVHXUHKVDCPLB-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000355070962 356566885 /nfs/dbraw/zinc/56/68/85/356566885.db2.gz NNVHXUHKVDCPLB-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP COC(=O)CN(C)C(=O)CC[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000609537183 363502994 /nfs/dbraw/zinc/50/29/94/363502994.db2.gz XOXSCRDLBKEKJG-CYBMUJFWSA-N 2 2 299.415 0.470 20 0 CCADLP COC(=O)CN(C)C(=O)CC[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000609537183 363502999 /nfs/dbraw/zinc/50/29/99/363502999.db2.gz XOXSCRDLBKEKJG-CYBMUJFWSA-N 2 2 299.415 0.470 20 0 CCADLP C[C@H]1[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CCC[N@@H+]1C ZINC000355919861 356669527 /nfs/dbraw/zinc/66/95/27/356669527.db2.gz PFSBYKPYZYFYJD-QWRGUYRKSA-N 2 2 250.346 0.941 20 0 CCADLP C[C@H]1[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CCC[N@H+]1C ZINC000355919861 356669528 /nfs/dbraw/zinc/66/95/28/356669528.db2.gz PFSBYKPYZYFYJD-QWRGUYRKSA-N 2 2 250.346 0.941 20 0 CCADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NC(C1CC1)C1CC1 ZINC000359289088 356794841 /nfs/dbraw/zinc/79/48/41/356794841.db2.gz QASXZRDGHUMUAF-BETUJISGSA-N 2 2 263.385 0.442 20 0 CCADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NC(C1CC1)C1CC1 ZINC000359289088 356794843 /nfs/dbraw/zinc/79/48/43/356794843.db2.gz QASXZRDGHUMUAF-BETUJISGSA-N 2 2 263.385 0.442 20 0 CCADLP CCCCOCCNC(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359294153 356795785 /nfs/dbraw/zinc/79/57/85/356795785.db2.gz BBNLVLJZVLKVBZ-CHWSQXEVSA-N 2 2 269.389 0.071 20 0 CCADLP C[C@H](C(=O)NCCc1ccccc1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359309744 356800339 /nfs/dbraw/zinc/80/03/39/356800339.db2.gz RVOLKRMMOWFBAJ-BMFZPTHFSA-N 2 2 287.407 0.885 20 0 CCADLP C[C@H](C(=O)NCCc1ccccc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359309744 356800341 /nfs/dbraw/zinc/80/03/41/356800341.db2.gz RVOLKRMMOWFBAJ-BMFZPTHFSA-N 2 2 287.407 0.885 20 0 CCADLP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@H]1COCC[NH+]1CC ZINC000359743313 356882888 /nfs/dbraw/zinc/88/28/88/356882888.db2.gz MWYBYAVSEMZZHK-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@H]1COCC[NH+]1CC ZINC000359743313 356882891 /nfs/dbraw/zinc/88/28/91/356882891.db2.gz MWYBYAVSEMZZHK-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP CCC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1COCC[N@@H+]1CC ZINC000359743313 356882895 /nfs/dbraw/zinc/88/28/95/356882895.db2.gz MWYBYAVSEMZZHK-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP CCC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1COCC[N@H+]1CC ZINC000359743313 356882899 /nfs/dbraw/zinc/88/28/99/356882899.db2.gz MWYBYAVSEMZZHK-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000532763161 358513292 /nfs/dbraw/zinc/51/32/92/358513292.db2.gz FPHMUCOXRCKDPK-VXGBXAGGSA-N 2 2 273.340 0.847 20 0 CCADLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)NC(=O)NC2CC2)CC1 ZINC000359953147 356926721 /nfs/dbraw/zinc/92/67/21/356926721.db2.gz UTKAPLSNPJTQHK-SNVBAGLBSA-N 2 2 282.388 0.437 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C1CC[NH+](C)CC1 ZINC000359954419 356927133 /nfs/dbraw/zinc/92/71/33/356927133.db2.gz NATXFYUBOCLUTL-GFCCVEGCSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C)Cn1cc[nH+]c1 ZINC000362818217 357057216 /nfs/dbraw/zinc/05/72/16/357057216.db2.gz SJQVWMALORFUJR-AGIUHOORSA-N 2 2 264.373 0.833 20 0 CCADLP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)Cn1cc[nH+]c1 ZINC000362818217 357057219 /nfs/dbraw/zinc/05/72/19/357057219.db2.gz SJQVWMALORFUJR-AGIUHOORSA-N 2 2 264.373 0.833 20 0 CCADLP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360549542 357039134 /nfs/dbraw/zinc/03/91/34/357039134.db2.gz FYVFMRVEMSKRJE-CQSZACIVSA-N 2 2 251.374 0.540 20 0 CCADLP CN(CC1CC1)C(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360549542 357039137 /nfs/dbraw/zinc/03/91/37/357039137.db2.gz FYVFMRVEMSKRJE-CQSZACIVSA-N 2 2 251.374 0.540 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)Cn1cc[nH+]c1 ZINC000362818218 357056720 /nfs/dbraw/zinc/05/67/20/357056720.db2.gz SJQVWMALORFUJR-FRRDWIJNSA-N 2 2 264.373 0.833 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)Cn1cc[nH+]c1 ZINC000362818218 357056724 /nfs/dbraw/zinc/05/67/24/357056724.db2.gz SJQVWMALORFUJR-FRRDWIJNSA-N 2 2 264.373 0.833 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](CCCc2ccncc2)CC1 ZINC000360442798 357012810 /nfs/dbraw/zinc/01/28/10/357012810.db2.gz DGTVLQNTRPFPNA-UHFFFAOYSA-N 2 2 290.411 0.720 20 0 CCADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1CN(C)CCO1 ZINC000655734262 412652235 /nfs/dbraw/zinc/65/22/35/412652235.db2.gz DCUTYCKNZQVTQI-NUEKZKHPSA-N 2 2 297.443 0.548 20 0 CCADLP COCCOC[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655729311 412652791 /nfs/dbraw/zinc/65/27/91/412652791.db2.gz JDNYGRROXUFLAX-DZGCQCFKSA-N 2 2 286.416 0.881 20 0 CCADLP CC[N@@H+]1CC[C@@H](CNC(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000367770644 357277083 /nfs/dbraw/zinc/27/70/83/357277083.db2.gz RUAGTIHUOWSKGO-AWEZNQCLSA-N 2 2 295.427 0.699 20 0 CCADLP CC[N@H+]1CC[C@@H](CNC(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000367770644 357277086 /nfs/dbraw/zinc/27/70/86/357277086.db2.gz RUAGTIHUOWSKGO-AWEZNQCLSA-N 2 2 295.427 0.699 20 0 CCADLP CO[C@@H](C)CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369275616 357343624 /nfs/dbraw/zinc/34/36/24/357343624.db2.gz YCHICQKMIGKPRD-STQMWFEESA-N 2 2 283.416 0.696 20 0 CCADLP CO[C@@H](C)CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369275616 357343627 /nfs/dbraw/zinc/34/36/27/357343627.db2.gz YCHICQKMIGKPRD-STQMWFEESA-N 2 2 283.416 0.696 20 0 CCADLP CN(C(=O)C1([NH+]2CCOCC2)CCC1)[C@@H]1CCC[N@H+](C)C1 ZINC000376266938 357450643 /nfs/dbraw/zinc/45/06/43/357450643.db2.gz QPCMQGHHENNQMI-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP CN(C(=O)C1([NH+]2CCOCC2)CCC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000376266938 357450649 /nfs/dbraw/zinc/45/06/49/357450649.db2.gz QPCMQGHHENNQMI-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[NH+](CC)CC1 ZINC000376882200 357513809 /nfs/dbraw/zinc/51/38/09/357513809.db2.gz OVRUYUYJTQUOKL-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[NH+](CC)CC1 ZINC000376882200 357513815 /nfs/dbraw/zinc/51/38/15/357513815.db2.gz OVRUYUYJTQUOKL-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP Cn1ncc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000377844279 357622678 /nfs/dbraw/zinc/62/26/78/357622678.db2.gz VEMNYTGPNACMCL-UHFFFAOYSA-N 2 2 279.388 0.359 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378196339 357656884 /nfs/dbraw/zinc/65/68/84/357656884.db2.gz KTQJNHGOKPVNLL-JTQLQIEISA-N 2 2 250.346 0.723 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378196339 357656886 /nfs/dbraw/zinc/65/68/86/357656886.db2.gz KTQJNHGOKPVNLL-JTQLQIEISA-N 2 2 250.346 0.723 20 0 CCADLP NC(=O)c1cccc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000449395408 236032836 /nfs/dbraw/zinc/03/28/36/236032836.db2.gz PVIUZEBKUUYCNX-HNNXBMFYSA-N 2 2 291.395 0.722 20 0 CCADLP NC(=O)c1cccc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c1 ZINC000449395408 236032838 /nfs/dbraw/zinc/03/28/38/236032838.db2.gz PVIUZEBKUUYCNX-HNNXBMFYSA-N 2 2 291.395 0.722 20 0 CCADLP Cc1nc(NCC[NH+](C(C)C)C(C)C)nc(N)[nH+]1 ZINC000384969749 357723756 /nfs/dbraw/zinc/72/37/56/357723756.db2.gz KTIXAMPOITUXAU-UHFFFAOYSA-N 2 2 252.366 0.545 20 0 CCADLP COCC(COC)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655771647 412658964 /nfs/dbraw/zinc/65/89/64/412658964.db2.gz AFBJTBMDWQJFOR-CQSZACIVSA-N 2 2 272.389 0.491 20 0 CCADLP CCOC(=O)C1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000380617248 357704492 /nfs/dbraw/zinc/70/44/92/357704492.db2.gz IKSIIVIULAWZSC-CQSZACIVSA-N 2 2 286.416 0.963 20 0 CCADLP CCOC(=O)C1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000380617248 357704496 /nfs/dbraw/zinc/70/44/96/357704496.db2.gz IKSIIVIULAWZSC-CQSZACIVSA-N 2 2 286.416 0.963 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](OC)C1 ZINC000381155682 357707597 /nfs/dbraw/zinc/70/75/97/357707597.db2.gz NPTGTRNCIDEBIS-OLZOCXBDSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](OC)C1 ZINC000381155682 357707600 /nfs/dbraw/zinc/70/76/00/357707600.db2.gz NPTGTRNCIDEBIS-OLZOCXBDSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](OC)C1 ZINC000381155682 357707602 /nfs/dbraw/zinc/70/76/02/357707602.db2.gz NPTGTRNCIDEBIS-OLZOCXBDSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](OC)C1 ZINC000381155682 357707603 /nfs/dbraw/zinc/70/76/03/357707603.db2.gz NPTGTRNCIDEBIS-OLZOCXBDSA-N 2 2 260.378 0.036 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+](C)C2CC2)CC[N@@H+]1C ZINC000386183964 357729457 /nfs/dbraw/zinc/72/94/57/357729457.db2.gz UNBTYUOTNZDZQI-BZPMIXESSA-N 3 2 255.406 0.514 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+](C)C2CC2)CC[N@H+]1C ZINC000386183964 357729459 /nfs/dbraw/zinc/72/94/59/357729459.db2.gz UNBTYUOTNZDZQI-BZPMIXESSA-N 3 2 255.406 0.514 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC[NH+]1C ZINC000386183964 357729461 /nfs/dbraw/zinc/72/94/61/357729461.db2.gz UNBTYUOTNZDZQI-BZPMIXESSA-N 3 2 255.406 0.514 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC[NH+]1C ZINC000386183964 357729463 /nfs/dbraw/zinc/72/94/63/357729463.db2.gz UNBTYUOTNZDZQI-BZPMIXESSA-N 3 2 255.406 0.514 20 0 CCADLP Cc1nc(NC[C@H]2CC[N@@H+](C3CC3)C2)nc(N(C)C)[nH+]1 ZINC000561438114 291129528 /nfs/dbraw/zinc/12/95/28/291129528.db2.gz BUBZWLRRLBWLHB-LLVKDONJSA-N 2 2 276.388 0.564 20 0 CCADLP Cc1nc(NC[C@H]2CC[N@H+](C3CC3)C2)nc(N(C)C)[nH+]1 ZINC000561438114 291129530 /nfs/dbraw/zinc/12/95/30/291129530.db2.gz BUBZWLRRLBWLHB-LLVKDONJSA-N 2 2 276.388 0.564 20 0 CCADLP Cc1nc(N(C)C)nc(NC[C@H]2CC[N@@H+](C3CC3)C2)[nH+]1 ZINC000561438114 291129535 /nfs/dbraw/zinc/12/95/35/291129535.db2.gz BUBZWLRRLBWLHB-LLVKDONJSA-N 2 2 276.388 0.564 20 0 CCADLP Cc1nc(N(C)C)nc(NC[C@H]2CC[N@H+](C3CC3)C2)[nH+]1 ZINC000561438114 291129537 /nfs/dbraw/zinc/12/95/37/291129537.db2.gz BUBZWLRRLBWLHB-LLVKDONJSA-N 2 2 276.388 0.564 20 0 CCADLP Cc1cc(NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc[nH+]1 ZINC000455034123 236321150 /nfs/dbraw/zinc/32/11/50/236321150.db2.gz FLXNFYQOCIXCJO-CQSZACIVSA-N 2 2 292.383 0.780 20 0 CCADLP Cc1cc(NC(=O)NC[C@H]2CCCC[N@H+]2CCO)cc[nH+]1 ZINC000455034123 236321151 /nfs/dbraw/zinc/32/11/51/236321151.db2.gz FLXNFYQOCIXCJO-CQSZACIVSA-N 2 2 292.383 0.780 20 0 CCADLP CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@H]([NH3+])CC(C)C ZINC000414756422 358124097 /nfs/dbraw/zinc/12/40/97/358124097.db2.gz QTEGVMZRURGQLZ-NEPJUHHUSA-N 2 2 277.434 0.373 20 0 CCADLP CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@H]([NH3+])CC(C)C ZINC000414756422 358124098 /nfs/dbraw/zinc/12/40/98/358124098.db2.gz QTEGVMZRURGQLZ-NEPJUHHUSA-N 2 2 277.434 0.373 20 0 CCADLP C[C@@H](C(=O)N(C)c1ccccc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420351057 358179708 /nfs/dbraw/zinc/17/97/08/358179708.db2.gz IXHUBDICQLJKIK-AAEUAGOBSA-N 2 2 265.357 0.289 20 0 CCADLP C[C@@H](C(=O)N(C)c1ccccc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420351057 358179714 /nfs/dbraw/zinc/17/97/14/358179714.db2.gz IXHUBDICQLJKIK-AAEUAGOBSA-N 2 2 265.357 0.289 20 0 CCADLP C[NH2+]CCC[N@H+](C)CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C ZINC000420389464 358181359 /nfs/dbraw/zinc/18/13/59/358181359.db2.gz OEFCMAAPJJKAIS-OLZOCXBDSA-N 2 2 298.431 0.932 20 0 CCADLP C[NH2+]CCC[N@@H+](C)CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C ZINC000420389464 358181360 /nfs/dbraw/zinc/18/13/60/358181360.db2.gz OEFCMAAPJJKAIS-OLZOCXBDSA-N 2 2 298.431 0.932 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000329173291 202217043 /nfs/dbraw/zinc/21/70/43/202217043.db2.gz LIEXFZMFBYWQKU-ZDUSSCGKSA-N 2 2 292.383 0.521 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CCC(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000329173291 202217045 /nfs/dbraw/zinc/21/70/45/202217045.db2.gz LIEXFZMFBYWQKU-ZDUSSCGKSA-N 2 2 292.383 0.521 20 0 CCADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)c1 ZINC000423267229 358198043 /nfs/dbraw/zinc/19/80/43/358198043.db2.gz CNHJWTKGYCJGEQ-QMTHXVAHSA-N 2 2 297.424 0.983 20 0 CCADLP C[C@H](C[NH3+])NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000423545574 358202208 /nfs/dbraw/zinc/20/22/08/358202208.db2.gz XYVDKRHTJXKIKU-ZYHUDNBSSA-N 2 2 255.362 0.093 20 0 CCADLP C[C@H](C[NH3+])NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000423545574 358202209 /nfs/dbraw/zinc/20/22/09/358202209.db2.gz XYVDKRHTJXKIKU-ZYHUDNBSSA-N 2 2 255.362 0.093 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)NC(C1CC1)C1CC1 ZINC000428049167 358220571 /nfs/dbraw/zinc/22/05/71/358220571.db2.gz MSHWKCGUDCFLEO-KGLIPLIRSA-N 2 2 277.412 0.975 20 0 CCADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)NC(C1CC1)C1CC1 ZINC000428049167 358220573 /nfs/dbraw/zinc/22/05/73/358220573.db2.gz MSHWKCGUDCFLEO-KGLIPLIRSA-N 2 2 277.412 0.975 20 0 CCADLP C[NH+]1CCC([NH2+]C[C@@H]2CCCCN2CCO)CC1 ZINC000449395998 358251811 /nfs/dbraw/zinc/25/18/11/358251811.db2.gz QZDRKOKWAHNCSZ-AWEZNQCLSA-N 2 2 255.406 0.517 20 0 CCADLP C[NH2+][C@@H](C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000515072367 358337566 /nfs/dbraw/zinc/33/75/66/358337566.db2.gz JHPVPCXINGDPID-AWEZNQCLSA-N 3 2 296.459 0.661 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2cc(CO)ccc2F)CCCO1 ZINC000530219991 358380577 /nfs/dbraw/zinc/38/05/77/358380577.db2.gz AOBKDUJAGIZYRS-ZDUSSCGKSA-N 2 2 268.332 0.868 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(CO)ccc2F)CCCO1 ZINC000530219991 358380578 /nfs/dbraw/zinc/38/05/78/358380578.db2.gz AOBKDUJAGIZYRS-ZDUSSCGKSA-N 2 2 268.332 0.868 20 0 CCADLP COc1ccc(CC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cn1 ZINC000530221276 358380630 /nfs/dbraw/zinc/38/06/30/358380630.db2.gz OTKJQLDYWBTLHG-GDBMZVCRSA-N 2 2 291.395 0.989 20 0 CCADLP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000530360559 358394934 /nfs/dbraw/zinc/39/49/34/358394934.db2.gz NAIANKIVFQIWIX-OCCSQVGLSA-N 2 2 264.373 0.454 20 0 CCADLP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000530360559 358394937 /nfs/dbraw/zinc/39/49/37/358394937.db2.gz NAIANKIVFQIWIX-OCCSQVGLSA-N 2 2 264.373 0.454 20 0 CCADLP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000530360557 358395552 /nfs/dbraw/zinc/39/55/52/358395552.db2.gz NAIANKIVFQIWIX-GXTWGEPZSA-N 2 2 264.373 0.454 20 0 CCADLP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000530360557 358395553 /nfs/dbraw/zinc/39/55/53/358395553.db2.gz NAIANKIVFQIWIX-GXTWGEPZSA-N 2 2 264.373 0.454 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)[C@H](C[NH3+])C1 ZINC000565411549 358560281 /nfs/dbraw/zinc/56/02/81/358560281.db2.gz UVGQNBRNWDCPEH-XQHKEYJVSA-N 2 2 296.415 0.084 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)[C@H](C[NH3+])C1 ZINC000565411549 358560285 /nfs/dbraw/zinc/56/02/85/358560285.db2.gz UVGQNBRNWDCPEH-XQHKEYJVSA-N 2 2 296.415 0.084 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CCO1 ZINC000565364718 358560497 /nfs/dbraw/zinc/56/04/97/358560497.db2.gz VLMNEUVIERDUMD-RDBSUJKOSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CCO1 ZINC000565364718 358560500 /nfs/dbraw/zinc/56/05/00/358560500.db2.gz VLMNEUVIERDUMD-RDBSUJKOSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C[C@H]2CCCC[C@H]2[NH3+])CCO1 ZINC000565364717 358560601 /nfs/dbraw/zinc/56/06/01/358560601.db2.gz VLMNEUVIERDUMD-MGPQQGTHSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C[C@H]2CCCC[C@H]2[NH3+])CCO1 ZINC000565364717 358560605 /nfs/dbraw/zinc/56/06/05/358560605.db2.gz VLMNEUVIERDUMD-MGPQQGTHSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)C1 ZINC000565549055 358562800 /nfs/dbraw/zinc/56/28/00/358562800.db2.gz MHCABJRIDDESKC-RBSFLKMASA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)C1 ZINC000565549055 358562803 /nfs/dbraw/zinc/56/28/03/358562803.db2.gz MHCABJRIDDESKC-RBSFLKMASA-N 2 2 295.427 0.650 20 0 CCADLP Cn1nccc1[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000567870534 358602066 /nfs/dbraw/zinc/60/20/66/358602066.db2.gz GEGDBHLNQHITMK-JTNHKYCSSA-N 2 2 277.372 0.081 20 0 CCADLP C[C@H](c1nnnn1C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000567891282 358606950 /nfs/dbraw/zinc/60/69/50/358606950.db2.gz WYPHPWSIBCUHPB-RCWTZXSCSA-N 2 2 250.350 0.330 20 0 CCADLP C[C@H](c1nnnn1C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000567891282 358606952 /nfs/dbraw/zinc/60/69/52/358606952.db2.gz WYPHPWSIBCUHPB-RCWTZXSCSA-N 2 2 250.350 0.330 20 0 CCADLP C[NH2+][C@@H](C(=O)NCC[N@H+]1CC=CCC1)c1cnn(C)c1 ZINC000568388289 358669817 /nfs/dbraw/zinc/66/98/17/358669817.db2.gz OGSACKDIBOTIGO-CYBMUJFWSA-N 2 2 277.372 0.059 20 0 CCADLP C[NH2+][C@@H](C(=O)NCC[N@@H+]1CC=CCC1)c1cnn(C)c1 ZINC000568388289 358669818 /nfs/dbraw/zinc/66/98/18/358669818.db2.gz OGSACKDIBOTIGO-CYBMUJFWSA-N 2 2 277.372 0.059 20 0 CCADLP CN(CC(F)(F)F)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000568414530 358674052 /nfs/dbraw/zinc/67/40/52/358674052.db2.gz NOSNRAHUJOLWLW-MRVPVSSYSA-N 2 2 268.283 0.175 20 0 CCADLP CN(CC(F)(F)F)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000568414530 358674057 /nfs/dbraw/zinc/67/40/57/358674057.db2.gz NOSNRAHUJOLWLW-MRVPVSSYSA-N 2 2 268.283 0.175 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000569234836 358746246 /nfs/dbraw/zinc/74/62/46/358746246.db2.gz LYZYAPJJMNFMTC-ZIAGYGMSSA-N 2 2 297.443 0.536 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000569234836 358746248 /nfs/dbraw/zinc/74/62/48/358746248.db2.gz LYZYAPJJMNFMTC-ZIAGYGMSSA-N 2 2 297.443 0.536 20 0 CCADLP C[C@H](O)C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000569351336 358756677 /nfs/dbraw/zinc/75/66/77/358756677.db2.gz ZUWPFSDZTJMTEY-ZDUSSCGKSA-N 2 2 264.369 0.989 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)NC[C@H]2CCC[NH2+]C2)CCO1 ZINC000568975892 358720605 /nfs/dbraw/zinc/72/06/05/358720605.db2.gz UYWATNDCXLWNCK-KBPBESRZSA-N 2 2 298.431 0.396 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)NC[C@H]2CCC[NH2+]C2)CCO1 ZINC000568975892 358720610 /nfs/dbraw/zinc/72/06/10/358720610.db2.gz UYWATNDCXLWNCK-KBPBESRZSA-N 2 2 298.431 0.396 20 0 CCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCn3c[nH+]cc3C1)CC2 ZINC000569010251 358726169 /nfs/dbraw/zinc/72/61/69/358726169.db2.gz LGXJCFVSNGMGFQ-LBPRGKRZSA-N 2 2 285.351 0.993 20 0 CCADLP CC[C@](C)(CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])OC ZINC000569204767 358742216 /nfs/dbraw/zinc/74/22/16/358742216.db2.gz SNDFDCAMBAPPEK-WCQYABFASA-N 2 2 272.393 0.086 20 0 CCADLP CC[C@](C)(CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])OC ZINC000569204767 358742220 /nfs/dbraw/zinc/74/22/20/358742220.db2.gz SNDFDCAMBAPPEK-WCQYABFASA-N 2 2 272.393 0.086 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000449143393 283397727 /nfs/dbraw/zinc/39/77/27/283397727.db2.gz WTJVWDVSKZIQFV-MCIONIFRSA-N 2 2 283.416 0.554 20 0 CCADLP Cc1nc(N)c(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c[nH+]1 ZINC000569579524 358775566 /nfs/dbraw/zinc/77/55/66/358775566.db2.gz YRYJQSAYMLXPCG-UWVGGRQHSA-N 2 2 277.372 0.687 20 0 CCADLP Cc1nc(N)c(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c[nH+]1 ZINC000569579522 358775780 /nfs/dbraw/zinc/77/57/80/358775780.db2.gz YRYJQSAYMLXPCG-AOOOYVTPSA-N 2 2 277.372 0.687 20 0 CCADLP Cc1nc(N)c(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c[nH+]1 ZINC000569579522 358775782 /nfs/dbraw/zinc/77/57/82/358775782.db2.gz YRYJQSAYMLXPCG-AOOOYVTPSA-N 2 2 277.372 0.687 20 0 CCADLP COC(=O)CC1(C[N@H+]2CC[C@H](OC)C[C@@H]2C[NH3+])CC1 ZINC000569810715 358795627 /nfs/dbraw/zinc/79/56/27/358795627.db2.gz AMZGIJOEKGRKHC-NEPJUHHUSA-N 2 2 270.373 0.768 20 0 CCADLP COC(=O)CC1(C[N@@H+]2CC[C@H](OC)C[C@@H]2C[NH3+])CC1 ZINC000569810715 358795629 /nfs/dbraw/zinc/79/56/29/358795629.db2.gz AMZGIJOEKGRKHC-NEPJUHHUSA-N 2 2 270.373 0.768 20 0 CCADLP C[C@@H](C[NH+](C)C)[NH2+]C1CCN(c2cnccn2)CC1 ZINC000570537997 358868218 /nfs/dbraw/zinc/86/82/18/358868218.db2.gz HZZMESAEWUBKBN-LBPRGKRZSA-N 2 2 263.389 0.985 20 0 CCADLP [NH3+]Cc1noc(CC[NH+]2CCN(c3ccccn3)CC2)n1 ZINC000570569621 358870540 /nfs/dbraw/zinc/87/05/40/358870540.db2.gz BGGVULCXRUJCDP-UHFFFAOYSA-N 2 2 288.355 0.288 20 0 CCADLP CC[NH2+]CCCNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000570667056 358881332 /nfs/dbraw/zinc/88/13/32/358881332.db2.gz BOFQFUGZSMVNPE-CYBMUJFWSA-N 2 2 286.420 0.348 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000570694994 358886150 /nfs/dbraw/zinc/88/61/50/358886150.db2.gz VMFBJBLNJDZRJL-CABCVRRESA-N 2 2 295.427 0.651 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000570694994 358886153 /nfs/dbraw/zinc/88/61/53/358886153.db2.gz VMFBJBLNJDZRJL-CABCVRRESA-N 2 2 295.427 0.651 20 0 CCADLP CN(CCC[NH3+])C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000573387716 358963104 /nfs/dbraw/zinc/96/31/04/358963104.db2.gz XPJJTGIYYOPMGW-UHFFFAOYSA-N 2 2 275.356 0.867 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@@H]2CCCNC2=O)C1 ZINC000573503064 358973848 /nfs/dbraw/zinc/97/38/48/358973848.db2.gz MNDIWWFNKPPQAO-NEPJUHHUSA-N 2 2 262.357 0.736 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@@H]2CCCNC2=O)C1 ZINC000573503064 358973852 /nfs/dbraw/zinc/97/38/52/358973852.db2.gz MNDIWWFNKPPQAO-NEPJUHHUSA-N 2 2 262.357 0.736 20 0 CCADLP CCC(C)(C)OCCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000574060195 359024775 /nfs/dbraw/zinc/02/47/75/359024775.db2.gz FFCYYTSAPDGNMZ-LBPRGKRZSA-N 2 2 286.420 0.476 20 0 CCADLP CCC(C)(C)OCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000574060195 359024778 /nfs/dbraw/zinc/02/47/78/359024778.db2.gz FFCYYTSAPDGNMZ-LBPRGKRZSA-N 2 2 286.420 0.476 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000580962158 359115213 /nfs/dbraw/zinc/11/52/13/359115213.db2.gz MODFMXNIGXBMCO-GFCCVEGCSA-N 2 2 280.372 0.488 20 0 CCADLP CN(C)c1nc(NC[C@@H]2CCc3[nH+]ccn3C2)cc[nH+]1 ZINC000580973376 359117209 /nfs/dbraw/zinc/11/72/09/359117209.db2.gz CTZWLAIALKQFBB-NSHDSACASA-N 2 2 272.356 0.836 20 0 CCADLP COCC(C)(C)C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000582355779 359137641 /nfs/dbraw/zinc/13/76/41/359137641.db2.gz AXQWWCKDPFSBNU-HZSPNIEDSA-N 2 2 288.432 0.719 20 0 CCADLP COCC(C)(C)C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000582355779 359137644 /nfs/dbraw/zinc/13/76/44/359137644.db2.gz AXQWWCKDPFSBNU-HZSPNIEDSA-N 2 2 288.432 0.719 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000584728272 359197052 /nfs/dbraw/zinc/19/70/52/359197052.db2.gz HBZZGGPSQZWOGX-QWHCGFSZSA-N 2 2 293.415 0.381 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000584728272 359197055 /nfs/dbraw/zinc/19/70/55/359197055.db2.gz HBZZGGPSQZWOGX-QWHCGFSZSA-N 2 2 293.415 0.381 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000584728272 359197057 /nfs/dbraw/zinc/19/70/57/359197057.db2.gz HBZZGGPSQZWOGX-QWHCGFSZSA-N 2 2 293.415 0.381 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000584728272 359197058 /nfs/dbraw/zinc/19/70/58/359197058.db2.gz HBZZGGPSQZWOGX-QWHCGFSZSA-N 2 2 293.415 0.381 20 0 CCADLP CC[C@H](C)[NH+]1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000562947887 291174430 /nfs/dbraw/zinc/17/44/30/291174430.db2.gz SPNWAXNERCCRMN-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP [NH3+][C@H](C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1cscn1 ZINC000562976166 291176432 /nfs/dbraw/zinc/17/64/32/291176432.db2.gz XAIJHMPWYQDCNB-XNDJQWLSSA-N 2 2 280.397 0.729 20 0 CCADLP C[NH+](C)C/C=C\C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000491885716 237011178 /nfs/dbraw/zinc/01/11/78/237011178.db2.gz PFKGUQHZWPUUFB-FPLPWBNLSA-N 2 2 295.387 0.600 20 0 CCADLP Cn1cc(C[NH+]2CCN(C(=O)/C=C/C[NH+](C)C)CC2)cn1 ZINC000491888621 237011221 /nfs/dbraw/zinc/01/12/21/237011221.db2.gz VFSCOAVFGPDSNS-SNAWJCMRSA-N 2 2 291.399 0.182 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]CCC(=O)Nc1ccccc1 ZINC000562993862 291179396 /nfs/dbraw/zinc/17/93/96/291179396.db2.gz QAPCIVBKKINOGS-HNNXBMFYSA-N 2 2 290.411 0.851 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]CCC(=O)Nc1ccccc1 ZINC000562993862 291179397 /nfs/dbraw/zinc/17/93/97/291179397.db2.gz QAPCIVBKKINOGS-HNNXBMFYSA-N 2 2 290.411 0.851 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@](C)(C(=O)OC)C1 ZINC000590603447 359498033 /nfs/dbraw/zinc/49/80/33/359498033.db2.gz NFHKJMHUCCUATR-AAEUAGOBSA-N 2 2 258.362 0.184 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@](C)(C(=O)OC)C1 ZINC000590603447 359498035 /nfs/dbraw/zinc/49/80/35/359498035.db2.gz NFHKJMHUCCUATR-AAEUAGOBSA-N 2 2 258.362 0.184 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@](C)(C(=O)OC)C1 ZINC000590603447 359498038 /nfs/dbraw/zinc/49/80/38/359498038.db2.gz NFHKJMHUCCUATR-AAEUAGOBSA-N 2 2 258.362 0.184 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@](C)(C(=O)OC)C1 ZINC000590603447 359498040 /nfs/dbraw/zinc/49/80/40/359498040.db2.gz NFHKJMHUCCUATR-AAEUAGOBSA-N 2 2 258.362 0.184 20 0 CCADLP CC(C)OCC[C@H](O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000563001080 291180082 /nfs/dbraw/zinc/18/00/82/291180082.db2.gz ZOAVJIHJZPERNN-ZDUSSCGKSA-N 2 2 284.404 0.752 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000591422898 359589023 /nfs/dbraw/zinc/58/90/23/359589023.db2.gz ZCUQKSKLXQXMGU-AWEZNQCLSA-N 2 2 288.395 0.678 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000591422898 359589026 /nfs/dbraw/zinc/58/90/26/359589026.db2.gz ZCUQKSKLXQXMGU-AWEZNQCLSA-N 2 2 288.395 0.678 20 0 CCADLP Cc1nc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)n[nH]1 ZINC000329357598 202296982 /nfs/dbraw/zinc/29/69/82/202296982.db2.gz WQSGRSYTWXNDJS-JFGNBEQYSA-N 2 2 251.378 0.974 20 0 CCADLP Cc1nc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)n[nH]1 ZINC000329357598 202296986 /nfs/dbraw/zinc/29/69/86/202296986.db2.gz WQSGRSYTWXNDJS-JFGNBEQYSA-N 2 2 251.378 0.974 20 0 CCADLP Cc1nnc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)[nH]1 ZINC000329357598 202296989 /nfs/dbraw/zinc/29/69/89/202296989.db2.gz WQSGRSYTWXNDJS-JFGNBEQYSA-N 2 2 251.378 0.974 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@H]2CCCC[C@@H]2O)C[C@@H](C)O1 ZINC000563144565 291198977 /nfs/dbraw/zinc/19/89/77/291198977.db2.gz WVBWIEMTGFIFOZ-ZSAUSMIDSA-N 2 2 286.416 0.350 20 0 CCADLP C[C@@H]1C[N@H+](CCSC[C@@H]2C[NH+](C)CCO2)CCO1 ZINC000592359032 359824404 /nfs/dbraw/zinc/82/44/04/359824404.db2.gz OOWXBIGNAGRSAS-OLZOCXBDSA-N 2 2 274.430 0.771 20 0 CCADLP C[C@@H]1C[N@@H+](CCSC[C@@H]2C[NH+](C)CCO2)CCO1 ZINC000592359032 359824410 /nfs/dbraw/zinc/82/44/10/359824410.db2.gz OOWXBIGNAGRSAS-OLZOCXBDSA-N 2 2 274.430 0.771 20 0 CCADLP C[C@@H]1C[NH+](CCSC[C@@H]2C[N@H+](C)CCO2)CCO1 ZINC000592359032 359824415 /nfs/dbraw/zinc/82/44/15/359824415.db2.gz OOWXBIGNAGRSAS-OLZOCXBDSA-N 2 2 274.430 0.771 20 0 CCADLP C[C@@H]1C[NH+](CCSC[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC000592359032 359824421 /nfs/dbraw/zinc/82/44/21/359824421.db2.gz OOWXBIGNAGRSAS-OLZOCXBDSA-N 2 2 274.430 0.771 20 0 CCADLP c1cc(C[NH+]2CCN(CCN3CC[NH2+]CC3)CC2)ccn1 ZINC000563153680 291200075 /nfs/dbraw/zinc/20/00/75/291200075.db2.gz DOCWWIOQCJLOGI-UHFFFAOYSA-N 2 2 289.427 0.104 20 0 CCADLP C[C@@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)[NH+]1CCN(C)CC1 ZINC000563163021 291201975 /nfs/dbraw/zinc/20/19/75/291201975.db2.gz KACFAHMAEHZMMA-SOUVJXGZSA-N 2 2 294.443 0.080 20 0 CCADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)CC[C@@H]1[NH3+] ZINC000592487886 359854998 /nfs/dbraw/zinc/85/49/98/359854998.db2.gz AMLKJDHOLJMGIX-UMNHJUIQSA-N 2 2 282.388 0.422 20 0 CCADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)CC[C@@H]1[NH3+] ZINC000592487886 359855005 /nfs/dbraw/zinc/85/50/05/359855005.db2.gz AMLKJDHOLJMGIX-UMNHJUIQSA-N 2 2 282.388 0.422 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000297703326 200264718 /nfs/dbraw/zinc/26/47/18/200264718.db2.gz XPKCGHAWZGITLE-VXGBXAGGSA-N 2 2 280.372 0.105 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000297703326 200264720 /nfs/dbraw/zinc/26/47/20/200264720.db2.gz XPKCGHAWZGITLE-VXGBXAGGSA-N 2 2 280.372 0.105 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000297956664 200308178 /nfs/dbraw/zinc/30/81/78/200308178.db2.gz WEIQQTZQNKDKFS-AWEZNQCLSA-N 2 2 291.399 0.191 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000297956664 200308180 /nfs/dbraw/zinc/30/81/80/200308180.db2.gz WEIQQTZQNKDKFS-AWEZNQCLSA-N 2 2 291.399 0.191 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593100556 360038700 /nfs/dbraw/zinc/03/87/00/360038700.db2.gz OOKDPQWZVQQQOT-PRXAMGSTSA-N 2 2 253.371 0.787 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593100556 360038702 /nfs/dbraw/zinc/03/87/02/360038702.db2.gz OOKDPQWZVQQQOT-PRXAMGSTSA-N 2 2 253.371 0.787 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000563349542 291215473 /nfs/dbraw/zinc/21/54/73/291215473.db2.gz GDMGKOMZDDVZGT-GFCCVEGCSA-N 2 2 286.401 0.106 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000563349542 291215474 /nfs/dbraw/zinc/21/54/74/291215474.db2.gz GDMGKOMZDDVZGT-GFCCVEGCSA-N 2 2 286.401 0.106 20 0 CCADLP CC[N@@H+]1CCCN(C(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000563376194 291219578 /nfs/dbraw/zinc/21/95/78/291219578.db2.gz HGYXTDJKSAOZMI-UHFFFAOYSA-N 2 2 253.390 0.882 20 0 CCADLP CC[N@H+]1CCCN(C(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000563376194 291219579 /nfs/dbraw/zinc/21/95/79/291219579.db2.gz HGYXTDJKSAOZMI-UHFFFAOYSA-N 2 2 253.390 0.882 20 0 CCADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000563388885 291221495 /nfs/dbraw/zinc/22/14/95/291221495.db2.gz MSNQHKRQHBENLG-ZDUSSCGKSA-N 2 2 297.443 0.632 20 0 CCADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000563388885 291221496 /nfs/dbraw/zinc/22/14/96/291221496.db2.gz MSNQHKRQHBENLG-ZDUSSCGKSA-N 2 2 297.443 0.632 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccncc2)CC1 ZINC000177112341 189029274 /nfs/dbraw/zinc/02/92/74/189029274.db2.gz HYOBWVKUCREZCP-UHFFFAOYSA-N 2 2 276.384 0.837 20 0 CCADLP CCOC[C@@H](C(=O)OC)[N@H+](C)CCCn1cc[nH+]c1 ZINC000611431186 363717098 /nfs/dbraw/zinc/71/70/98/363717098.db2.gz YCFJOJFUMJRNNC-LBPRGKRZSA-N 2 2 269.345 0.783 20 0 CCADLP CCOC[C@@H](C(=O)OC)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000611431186 363717100 /nfs/dbraw/zinc/71/71/00/363717100.db2.gz YCFJOJFUMJRNNC-LBPRGKRZSA-N 2 2 269.345 0.783 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000563397008 291223004 /nfs/dbraw/zinc/22/30/04/291223004.db2.gz IYIGFTJGWMZDCC-QWHCGFSZSA-N 2 2 253.390 0.879 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000563397008 291223005 /nfs/dbraw/zinc/22/30/05/291223005.db2.gz IYIGFTJGWMZDCC-QWHCGFSZSA-N 2 2 253.390 0.879 20 0 CCADLP CCOc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)nc1 ZINC000594736677 360369436 /nfs/dbraw/zinc/36/94/36/360369436.db2.gz JUWZAIHGLMNSIC-GXTWGEPZSA-N 2 2 290.367 0.224 20 0 CCADLP CCOc1ccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)nc1 ZINC000594736677 360369442 /nfs/dbraw/zinc/36/94/42/360369442.db2.gz JUWZAIHGLMNSIC-GXTWGEPZSA-N 2 2 290.367 0.224 20 0 CCADLP C[NH2+][C@@H](C)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000563410832 291226361 /nfs/dbraw/zinc/22/63/61/291226361.db2.gz ONLRAFKSKNGYEG-TUAOUCFPSA-N 2 2 257.378 0.162 20 0 CCADLP C[NH2+][C@@H](C)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000563410832 291226362 /nfs/dbraw/zinc/22/63/62/291226362.db2.gz ONLRAFKSKNGYEG-TUAOUCFPSA-N 2 2 257.378 0.162 20 0 CCADLP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CC[NH+]1CCC(OC)CC1 ZINC000594942054 360421886 /nfs/dbraw/zinc/42/18/86/360421886.db2.gz VQQBWKSCWIFOGI-KWCYVHTRSA-N 2 2 284.400 0.884 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000594943519 360422575 /nfs/dbraw/zinc/42/25/75/360422575.db2.gz KGQDLDCTELODAM-XJFOESAGSA-N 2 2 284.400 0.620 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000594943519 360422578 /nfs/dbraw/zinc/42/25/78/360422578.db2.gz KGQDLDCTELODAM-XJFOESAGSA-N 2 2 284.400 0.620 20 0 CCADLP C[C@H](CSCCF)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000595017823 360433560 /nfs/dbraw/zinc/43/35/60/360433560.db2.gz LTBNKPDIUUKCFC-NEPJUHHUSA-N 2 2 263.426 0.913 20 0 CCADLP C[C@H](CSCCF)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000595017823 360433566 /nfs/dbraw/zinc/43/35/66/360433566.db2.gz LTBNKPDIUUKCFC-NEPJUHHUSA-N 2 2 263.426 0.913 20 0 CCADLP Cn1ncc2c1nc(N)[nH+]c2NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000563418369 291227072 /nfs/dbraw/zinc/22/70/72/291227072.db2.gz TWJXKFSGWSRKQJ-VIFPVBQESA-N 2 2 287.371 0.672 20 0 CCADLP Cn1ncc2c1nc(N)[nH+]c2NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000563418369 291227073 /nfs/dbraw/zinc/22/70/73/291227073.db2.gz TWJXKFSGWSRKQJ-VIFPVBQESA-N 2 2 287.371 0.672 20 0 CCADLP [NH3+]C[C@H](NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C(F)(F)F ZINC000655925466 412700790 /nfs/dbraw/zinc/70/07/90/412700790.db2.gz BMNXDVYBENTNKC-MUWHJKNJSA-N 2 2 291.277 0.456 20 0 CCADLP [NH3+]C[C@H](NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C(F)(F)F ZINC000655925466 412700793 /nfs/dbraw/zinc/70/07/93/412700793.db2.gz BMNXDVYBENTNKC-MUWHJKNJSA-N 2 2 291.277 0.456 20 0 CCADLP COC(=O)CC1(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000595863304 360683008 /nfs/dbraw/zinc/68/30/08/360683008.db2.gz MXXKCVUVJXKRSK-CQSZACIVSA-N 2 2 296.411 0.861 20 0 CCADLP COC(=O)CC1(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000595863304 360683010 /nfs/dbraw/zinc/68/30/10/360683010.db2.gz MXXKCVUVJXKRSK-CQSZACIVSA-N 2 2 296.411 0.861 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)N1CC[N@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000595955756 360732669 /nfs/dbraw/zinc/73/26/69/360732669.db2.gz HVMYENCGYJETGW-NWDGAFQWSA-N 2 2 285.388 0.080 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)N1CC[N@@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000595955756 360732673 /nfs/dbraw/zinc/73/26/73/360732673.db2.gz HVMYENCGYJETGW-NWDGAFQWSA-N 2 2 285.388 0.080 20 0 CCADLP CSC[C@H](C)NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000596326884 360881048 /nfs/dbraw/zinc/88/10/48/360881048.db2.gz BLDATPRWSHHBGW-LBPRGKRZSA-N 2 2 290.477 0.921 20 0 CCADLP CSC[C@H](C)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000596326884 360881050 /nfs/dbraw/zinc/88/10/50/360881050.db2.gz BLDATPRWSHHBGW-LBPRGKRZSA-N 2 2 290.477 0.921 20 0 CCADLP Cc1ccc(/C=C/C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])o1 ZINC000493737664 238342376 /nfs/dbraw/zinc/34/23/76/238342376.db2.gz HMISPRJURSVWCX-FYJFLYSWSA-N 2 2 263.341 0.703 20 0 CCADLP Cc1ccc(/C=C/C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])o1 ZINC000493737664 238342385 /nfs/dbraw/zinc/34/23/85/238342385.db2.gz HMISPRJURSVWCX-FYJFLYSWSA-N 2 2 263.341 0.703 20 0 CCADLP COCC(C)(C)[NH+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493710489 238324145 /nfs/dbraw/zinc/32/41/45/238324145.db2.gz TUHYAGYDGZDVAT-PLNGDYQASA-N 2 2 292.383 0.992 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000417513359 296029057 /nfs/dbraw/zinc/02/90/57/296029057.db2.gz XSLIEOVCPJDXLU-OLZOCXBDSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000417513359 296029059 /nfs/dbraw/zinc/02/90/59/296029059.db2.gz XSLIEOVCPJDXLU-OLZOCXBDSA-N 2 2 298.431 0.476 20 0 CCADLP COc1cnc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])s1 ZINC000563873189 291255256 /nfs/dbraw/zinc/25/52/56/291255256.db2.gz NJUUOQFZIAYDPA-MRVPVSSYSA-N 2 2 285.373 0.258 20 0 CCADLP COc1cnc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])s1 ZINC000563873189 291255257 /nfs/dbraw/zinc/25/52/57/291255257.db2.gz NJUUOQFZIAYDPA-MRVPVSSYSA-N 2 2 285.373 0.258 20 0 CCADLP CC(=O)N1CC[NH+](CCNc2nc(C)[nH+]c(C)c2C)CC1 ZINC000301430287 201005770 /nfs/dbraw/zinc/00/57/70/201005770.db2.gz GESHJWFDRYPPIE-UHFFFAOYSA-N 2 2 291.399 0.978 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000631821726 370686521 /nfs/dbraw/zinc/68/65/21/370686521.db2.gz HBYIYFUSWQXATN-WCQYABFASA-N 2 2 251.374 0.681 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000631821726 370686528 /nfs/dbraw/zinc/68/65/28/370686528.db2.gz HBYIYFUSWQXATN-WCQYABFASA-N 2 2 251.374 0.681 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2cccc3c2CCOC3)CCO1 ZINC000631823705 370690343 /nfs/dbraw/zinc/69/03/43/370690343.db2.gz LUPGQJAEUQKEND-AWEZNQCLSA-N 2 2 262.353 0.919 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2cccc3c2CCOC3)CCO1 ZINC000631823705 370690346 /nfs/dbraw/zinc/69/03/46/370690346.db2.gz LUPGQJAEUQKEND-AWEZNQCLSA-N 2 2 262.353 0.919 20 0 CCADLP O=C1[C@H]([N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CCN1C1CCC1 ZINC000631826541 370693281 /nfs/dbraw/zinc/69/32/81/370693281.db2.gz QKDUUMJQHVCBHI-IACUBPJLSA-N 2 2 263.385 0.824 20 0 CCADLP O=C1[C@H]([N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CCN1C1CCC1 ZINC000631826541 370693288 /nfs/dbraw/zinc/69/32/88/370693288.db2.gz QKDUUMJQHVCBHI-IACUBPJLSA-N 2 2 263.385 0.824 20 0 CCADLP Cc1nccnc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000631826434 370693317 /nfs/dbraw/zinc/69/33/17/370693317.db2.gz NAHULBWPEFDXMM-ZDUSSCGKSA-N 2 2 261.373 0.265 20 0 CCADLP O=C1[C@H]([N@@H+]2CC[C@]3(CC[NH2+]C3)C2)CCN1C1CCC1 ZINC000631823336 370688443 /nfs/dbraw/zinc/68/84/43/370688443.db2.gz BRATUGWROHBWDH-HIFRSBDPSA-N 2 2 263.385 0.825 20 0 CCADLP O=C1[C@H]([N@H+]2CC[C@]3(CC[NH2+]C3)C2)CCN1C1CCC1 ZINC000631823336 370688451 /nfs/dbraw/zinc/68/84/51/370688451.db2.gz BRATUGWROHBWDH-HIFRSBDPSA-N 2 2 263.385 0.825 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC(C)(C)CC[C@@H]1CO ZINC000621381400 366757669 /nfs/dbraw/zinc/75/76/69/366757669.db2.gz SHDSKRWHVPFBDT-KGLIPLIRSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC(C)(C)CC[C@@H]1CO ZINC000621381400 366757675 /nfs/dbraw/zinc/75/76/75/366757675.db2.gz SHDSKRWHVPFBDT-KGLIPLIRSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC(C)(C)CC[C@@H]1CO ZINC000621381400 366757679 /nfs/dbraw/zinc/75/76/79/366757679.db2.gz SHDSKRWHVPFBDT-KGLIPLIRSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC(C)(C)CC[C@@H]1CO ZINC000621381400 366757685 /nfs/dbraw/zinc/75/76/85/366757685.db2.gz SHDSKRWHVPFBDT-KGLIPLIRSA-N 2 2 288.432 0.408 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000621642461 366815953 /nfs/dbraw/zinc/81/59/53/366815953.db2.gz NQRLOUYNWPUXGP-KGLIPLIRSA-N 2 2 283.416 0.603 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000621642461 366815958 /nfs/dbraw/zinc/81/59/58/366815958.db2.gz NQRLOUYNWPUXGP-KGLIPLIRSA-N 2 2 283.416 0.603 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621653005 366816825 /nfs/dbraw/zinc/81/68/25/366816825.db2.gz MHSFFCRXQMBWNB-CQSZACIVSA-N 2 2 283.416 0.557 20 0 CCADLP COC(=O)CCNC(=O)CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000599009791 361554178 /nfs/dbraw/zinc/55/41/78/361554178.db2.gz ZAXLJIBNOKRJRL-NWDGAFQWSA-N 2 2 297.399 0.271 20 0 CCADLP COC(=O)CCNC(=O)CC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000599009791 361554183 /nfs/dbraw/zinc/55/41/83/361554183.db2.gz ZAXLJIBNOKRJRL-NWDGAFQWSA-N 2 2 297.399 0.271 20 0 CCADLP CC(C)c1nc(N(C)C)nc(NC[C@@](C)(O)C[NH+](C)C)[nH+]1 ZINC000301908850 201258077 /nfs/dbraw/zinc/25/80/77/201258077.db2.gz AVFOMSULDNYFCA-CQSZACIVSA-N 2 2 296.419 0.786 20 0 CCADLP CC(C)c1nc(NC[C@@](C)(O)C[NH+](C)C)nc(N(C)C)[nH+]1 ZINC000301908850 201258079 /nfs/dbraw/zinc/25/80/79/201258079.db2.gz AVFOMSULDNYFCA-CQSZACIVSA-N 2 2 296.419 0.786 20 0 CCADLP CN(C)c1ccc(CNC(=O)CN2CC[NH+](C)CC2)c[nH+]1 ZINC000599306151 361644359 /nfs/dbraw/zinc/64/43/59/361644359.db2.gz ULVFBOPPZNDDMV-UHFFFAOYSA-N 2 2 291.399 0.011 20 0 CCADLP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)CC(=O)OCC)C1 ZINC000599308226 361644388 /nfs/dbraw/zinc/64/43/88/361644388.db2.gz REHLHWSQAUXHGD-ZIAGYGMSSA-N 2 2 286.416 0.964 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)CC(=O)OCC)C1 ZINC000599308226 361644394 /nfs/dbraw/zinc/64/43/94/361644394.db2.gz REHLHWSQAUXHGD-ZIAGYGMSSA-N 2 2 286.416 0.964 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)CC(=O)OCC)C1 ZINC000599308226 361644400 /nfs/dbraw/zinc/64/44/00/361644400.db2.gz REHLHWSQAUXHGD-ZIAGYGMSSA-N 2 2 286.416 0.964 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)CC(=O)OCC)C1 ZINC000599308226 361644405 /nfs/dbraw/zinc/64/44/05/361644405.db2.gz REHLHWSQAUXHGD-ZIAGYGMSSA-N 2 2 286.416 0.964 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)CN[C@H]2CC[NH+](C3CC3)C2)C[C@H](C)O1 ZINC000564562714 291284692 /nfs/dbraw/zinc/28/46/92/291284692.db2.gz DVPLTQRGCALFKW-KNCOVGOOSA-N 2 2 297.443 0.283 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN[C@H]2CC[N@@H+](C3CC3)C2)C[C@H](C)O1 ZINC000564562714 291284694 /nfs/dbraw/zinc/28/46/94/291284694.db2.gz DVPLTQRGCALFKW-KNCOVGOOSA-N 2 2 297.443 0.283 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN[C@H]2CC[N@H+](C3CC3)C2)C[C@H](C)O1 ZINC000564562714 291284695 /nfs/dbraw/zinc/28/46/95/291284695.db2.gz DVPLTQRGCALFKW-KNCOVGOOSA-N 2 2 297.443 0.283 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000599328877 361654297 /nfs/dbraw/zinc/65/42/97/361654297.db2.gz APWNYUTWBOUSQN-RYUDHWBXSA-N 2 2 281.356 0.903 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000599328877 361654301 /nfs/dbraw/zinc/65/43/01/361654301.db2.gz APWNYUTWBOUSQN-RYUDHWBXSA-N 2 2 281.356 0.903 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)Nc1cc[nH+]cc1C(N)=O ZINC000302204307 201394427 /nfs/dbraw/zinc/39/44/27/201394427.db2.gz CJYPLBYAMPVAHF-LLVKDONJSA-N 2 2 277.372 0.228 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(C)(COC)CC1 ZINC000564737060 291297188 /nfs/dbraw/zinc/29/71/88/291297188.db2.gz WGXFKIPLSGFFCO-AWEZNQCLSA-N 2 2 288.432 0.674 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C)(COC)CC1 ZINC000564737060 291297189 /nfs/dbraw/zinc/29/71/89/291297189.db2.gz WGXFKIPLSGFFCO-AWEZNQCLSA-N 2 2 288.432 0.674 20 0 CCADLP COCc1ncc2c(n1)CC[N@@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000631834658 370700394 /nfs/dbraw/zinc/70/03/94/370700394.db2.gz CKNCWYWOPWYGRN-NSHDSACASA-N 2 2 262.357 0.591 20 0 CCADLP COCc1ncc2c(n1)CC[N@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000631834658 370700399 /nfs/dbraw/zinc/70/03/99/370700399.db2.gz CKNCWYWOPWYGRN-NSHDSACASA-N 2 2 262.357 0.591 20 0 CCADLP C[C@H]1CN(CC[N@@H+]2CCCCC[C@@H]([NH3+])C2)CCO1 ZINC000631835799 370702677 /nfs/dbraw/zinc/70/26/77/370702677.db2.gz XYIOWJQNLIRSMH-UONOGXRCSA-N 2 2 255.406 0.910 20 0 CCADLP C[C@H]1CN(CC[N@H+]2CCCCC[C@@H]([NH3+])C2)CCO1 ZINC000631835799 370702681 /nfs/dbraw/zinc/70/26/81/370702681.db2.gz XYIOWJQNLIRSMH-UONOGXRCSA-N 2 2 255.406 0.910 20 0 CCADLP Cc1cc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)on1 ZINC000631842164 370708118 /nfs/dbraw/zinc/70/81/18/370708118.db2.gz WLXJTHIDSWUVLT-DVVUODLYSA-N 2 2 266.345 0.837 20 0 CCADLP Cc1cc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)on1 ZINC000631842164 370708119 /nfs/dbraw/zinc/70/81/19/370708119.db2.gz WLXJTHIDSWUVLT-DVVUODLYSA-N 2 2 266.345 0.837 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)NCC1CCC1 ZINC000631886669 370736734 /nfs/dbraw/zinc/73/67/34/370736734.db2.gz IZSQFOCMADOTAQ-KGLIPLIRSA-N 2 2 265.401 0.977 20 0 CCADLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)NCC1CCC1 ZINC000631886669 370736748 /nfs/dbraw/zinc/73/67/48/370736748.db2.gz IZSQFOCMADOTAQ-KGLIPLIRSA-N 2 2 265.401 0.977 20 0 CCADLP CC(C)(C)NC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631887284 370738178 /nfs/dbraw/zinc/73/81/78/370738178.db2.gz QCNRFPYWUFFPTP-VXGBXAGGSA-N 2 2 253.390 0.975 20 0 CCADLP CC(C)(C)NC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631887284 370738190 /nfs/dbraw/zinc/73/81/90/370738190.db2.gz QCNRFPYWUFFPTP-VXGBXAGGSA-N 2 2 253.390 0.975 20 0 CCADLP CS(=O)(=O)CC1(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)CC1 ZINC000631890922 370739708 /nfs/dbraw/zinc/73/97/08/370739708.db2.gz UVTCUHCAQFRSRG-OLZOCXBDSA-N 2 2 286.441 0.885 20 0 CCADLP CS(=O)(=O)CC1(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)CC1 ZINC000631890922 370739715 /nfs/dbraw/zinc/73/97/15/370739715.db2.gz UVTCUHCAQFRSRG-OLZOCXBDSA-N 2 2 286.441 0.885 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)CN[C@@H]2CC[NH+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000564853238 291307148 /nfs/dbraw/zinc/30/71/48/291307148.db2.gz AGHRBCAFBGRLNF-IBEHDNSVSA-N 2 2 299.459 0.529 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)CN[C@@H]2CC[NH+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000564853238 291307150 /nfs/dbraw/zinc/30/71/50/291307150.db2.gz AGHRBCAFBGRLNF-IBEHDNSVSA-N 2 2 299.459 0.529 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN[C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000564853238 291307152 /nfs/dbraw/zinc/30/71/52/291307152.db2.gz AGHRBCAFBGRLNF-IBEHDNSVSA-N 2 2 299.459 0.529 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000564853238 291307153 /nfs/dbraw/zinc/30/71/53/291307153.db2.gz AGHRBCAFBGRLNF-IBEHDNSVSA-N 2 2 299.459 0.529 20 0 CCADLP C[N@@H+]1C[C@@H]2CCCN(c3cc(-n4cccn4)nc(N)[nH+]3)[C@@H]2C1 ZINC000564876720 291310238 /nfs/dbraw/zinc/31/02/38/291310238.db2.gz WWRWNSLGNHRTQP-NWDGAFQWSA-N 2 2 299.382 0.605 20 0 CCADLP C[N@H+]1C[C@@H]2CCCN(c3cc(-n4cccn4)nc(N)[nH+]3)[C@@H]2C1 ZINC000564876720 291310239 /nfs/dbraw/zinc/31/02/39/291310239.db2.gz WWRWNSLGNHRTQP-NWDGAFQWSA-N 2 2 299.382 0.605 20 0 CCADLP C[NH+]1CC2(C1)CCN(C(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC000614038525 364470390 /nfs/dbraw/zinc/47/03/90/364470390.db2.gz UYOHKCBEBFMVPS-UHFFFAOYSA-N 2 2 288.395 0.926 20 0 CCADLP Cn1cc(N2CC[C@H]([N@@H+]3C[C@H]4CCC[C@]4([NH3+])C3)C2=O)cn1 ZINC000621782135 366865882 /nfs/dbraw/zinc/86/58/82/366865882.db2.gz MVTMVUDFIMIUGD-ZLDLUXBVSA-N 2 2 289.383 0.339 20 0 CCADLP Cn1cc(N2CC[C@H]([N@H+]3C[C@H]4CCC[C@]4([NH3+])C3)C2=O)cn1 ZINC000621782135 366865887 /nfs/dbraw/zinc/86/58/87/366865887.db2.gz MVTMVUDFIMIUGD-ZLDLUXBVSA-N 2 2 289.383 0.339 20 0 CCADLP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000564958488 291326370 /nfs/dbraw/zinc/32/63/70/291326370.db2.gz NCOFJIOZULAZNA-GXSJLCMTSA-N 2 2 272.349 0.303 20 0 CCADLP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000615303883 364913054 /nfs/dbraw/zinc/91/30/54/364913054.db2.gz VHKWWZGGWQHCHT-YRGRVCCFSA-N 2 2 276.384 0.997 20 0 CCADLP CCS(=O)(=O)NCCC[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621784469 366867419 /nfs/dbraw/zinc/86/74/19/366867419.db2.gz PMKPJWPWXHAAIB-NEPJUHHUSA-N 2 2 275.418 0.129 20 0 CCADLP CCS(=O)(=O)NCCC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621784469 366867425 /nfs/dbraw/zinc/86/74/25/366867425.db2.gz PMKPJWPWXHAAIB-NEPJUHHUSA-N 2 2 275.418 0.129 20 0 CCADLP C[C@@H](CC(=O)NC[C@@](C)(O)C[NH+](C)C)n1cc[nH+]c1 ZINC000565076702 291343473 /nfs/dbraw/zinc/34/34/73/291343473.db2.gz LTVXDWBJNXWKLR-WCQYABFASA-N 2 2 268.361 0.263 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000275621609 193088780 /nfs/dbraw/zinc/08/87/80/193088780.db2.gz MIUAOHLEFIONKR-LLVKDONJSA-N 2 2 288.355 0.769 20 0 CCADLP Cc1cn2cc(NC(=O)C(=O)NCC[C@H](C)[NH3+])ccc2[nH+]1 ZINC000621833598 366880549 /nfs/dbraw/zinc/88/05/49/366880549.db2.gz VSOLKEUDHOQFEX-VIFPVBQESA-N 2 2 289.339 0.435 20 0 CCADLP CC[C@@H](C(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO)[NH+](C)C ZINC000616866492 365464213 /nfs/dbraw/zinc/46/42/13/365464213.db2.gz CHQDBHJRXUJTQH-RYUDHWBXSA-N 2 2 296.415 0.936 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000565189639 291354753 /nfs/dbraw/zinc/35/47/53/291354753.db2.gz IBEQJENSRFOPSD-LLVKDONJSA-N 2 2 288.355 0.660 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000565189639 291354754 /nfs/dbraw/zinc/35/47/54/291354754.db2.gz IBEQJENSRFOPSD-LLVKDONJSA-N 2 2 288.355 0.660 20 0 CCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[N@@H+]1CCO ZINC000621962055 366953083 /nfs/dbraw/zinc/95/30/83/366953083.db2.gz CKRMSJQOFSIMEM-LLVKDONJSA-N 2 2 280.372 0.212 20 0 CCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[N@H+]1CCO ZINC000621962055 366953086 /nfs/dbraw/zinc/95/30/86/366953086.db2.gz CKRMSJQOFSIMEM-LLVKDONJSA-N 2 2 280.372 0.212 20 0 CCADLP COC(=O)N1CCC(C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)CC1 ZINC000496686345 283894474 /nfs/dbraw/zinc/89/44/74/283894474.db2.gz RJLYICIPLNJRJK-GXTWGEPZSA-N 2 2 299.415 0.821 20 0 CCADLP COCCn1cc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cn1 ZINC000622003674 366975061 /nfs/dbraw/zinc/97/50/61/366975061.db2.gz DEQBIGWGWAVTRA-UONOGXRCSA-N 2 2 264.373 0.843 20 0 CCADLP COCCn1cc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cn1 ZINC000622003674 366975065 /nfs/dbraw/zinc/97/50/65/366975065.db2.gz DEQBIGWGWAVTRA-UONOGXRCSA-N 2 2 264.373 0.843 20 0 CCADLP Cc1csc(CCCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])n1 ZINC000565304096 291370541 /nfs/dbraw/zinc/37/05/41/291370541.db2.gz ZXQGGPBSDIWOMP-LBPRGKRZSA-N 2 2 296.440 0.876 20 0 CCADLP Cc1csc(CCCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])n1 ZINC000565304096 291370543 /nfs/dbraw/zinc/37/05/43/291370543.db2.gz ZXQGGPBSDIWOMP-LBPRGKRZSA-N 2 2 296.440 0.876 20 0 CCADLP COc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c(C)c1 ZINC000566200304 291374823 /nfs/dbraw/zinc/37/48/23/291374823.db2.gz JQOMBKLLINSLTM-GFCCVEGCSA-N 2 2 277.368 0.719 20 0 CCADLP COc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c(C)c1 ZINC000566200304 291374824 /nfs/dbraw/zinc/37/48/24/291374824.db2.gz JQOMBKLLINSLTM-GFCCVEGCSA-N 2 2 277.368 0.719 20 0 CCADLP CCO[C@H]1C[C@]([NH3+])(C(=O)Nc2ccc(N)[nH+]c2)C1(C)C ZINC000566237099 291381443 /nfs/dbraw/zinc/38/14/43/291381443.db2.gz KGWNGOIDKJKAJZ-HZMBPMFUSA-N 2 2 278.356 0.965 20 0 CCADLP [NH3+][C@]12CCC[C@H]1CN(C(=O)[C@H]1CCn3cc[nH+]c3C1)C2 ZINC000623180623 367469177 /nfs/dbraw/zinc/46/91/77/367469177.db2.gz QYRPKAAXFUAAKX-HUBLWGQQSA-N 2 2 274.368 0.785 20 0 CCADLP [NH3+]CC(F)(F)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623177044 367466005 /nfs/dbraw/zinc/46/60/05/367466005.db2.gz FALJEQXPSVLDQY-MRVPVSSYSA-N 2 2 258.272 0.156 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCCCCn1cc[nH+]c1 ZINC000623486930 367573328 /nfs/dbraw/zinc/57/33/28/367573328.db2.gz NUWOBYVQDZOZFP-ZDUSSCGKSA-N 2 2 295.387 0.293 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCCCCn1cc[nH+]c1 ZINC000623486930 367573336 /nfs/dbraw/zinc/57/33/36/367573336.db2.gz NUWOBYVQDZOZFP-ZDUSSCGKSA-N 2 2 295.387 0.293 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623493011 367573993 /nfs/dbraw/zinc/57/39/93/367573993.db2.gz RTQJNZIIIBSNLZ-TZMCWYRMSA-N 3 2 255.406 0.515 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CC[NH+](C)C(C)(C)C2)C1 ZINC000623493011 367574001 /nfs/dbraw/zinc/57/40/01/367574001.db2.gz RTQJNZIIIBSNLZ-TZMCWYRMSA-N 3 2 255.406 0.515 20 0 CCADLP C[NH+]1CC[C@@](O)(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623493011 367574007 /nfs/dbraw/zinc/57/40/07/367574007.db2.gz RTQJNZIIIBSNLZ-TZMCWYRMSA-N 3 2 255.406 0.515 20 0 CCADLP C[NH+]1CC[C@@](O)(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623493011 367574016 /nfs/dbraw/zinc/57/40/16/367574016.db2.gz RTQJNZIIIBSNLZ-TZMCWYRMSA-N 3 2 255.406 0.515 20 0 CCADLP C[NH+]1CCC([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000623617701 367603621 /nfs/dbraw/zinc/60/36/21/367603621.db2.gz KQNCUMKFKXBCSA-ZDUSSCGKSA-N 3 2 268.405 0.010 20 0 CCADLP C[NH+]1CCC([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000623617701 367603624 /nfs/dbraw/zinc/60/36/24/367603624.db2.gz KQNCUMKFKXBCSA-ZDUSSCGKSA-N 3 2 268.405 0.010 20 0 CCADLP Cc1nn(C)c(C)c1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000623618002 367603777 /nfs/dbraw/zinc/60/37/77/367603777.db2.gz ZWHRMEFXLOHDSX-AWEZNQCLSA-N 2 2 293.415 0.466 20 0 CCADLP Cc1nn(C)c(C)c1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000623618002 367603783 /nfs/dbraw/zinc/60/37/83/367603783.db2.gz ZWHRMEFXLOHDSX-AWEZNQCLSA-N 2 2 293.415 0.466 20 0 CCADLP O[C@H](C[NH2+]Cc1c[nH+]c2n1CCC2)[C@H]1CCCO1 ZINC000623620377 367608844 /nfs/dbraw/zinc/60/88/44/367608844.db2.gz OEUSNDZTGFFLRS-VXGBXAGGSA-N 2 2 251.330 0.459 20 0 CCADLP C[C@@H](NC(=O)NC[C@H]1COCC[N@@H+]1C)C1CC[NH+](C)CC1 ZINC000623724273 367636087 /nfs/dbraw/zinc/63/60/87/367636087.db2.gz ZVQVSNYXIRMOOI-OCCSQVGLSA-N 2 2 298.431 0.347 20 0 CCADLP C[C@@H](NC(=O)NC[C@H]1COCC[N@H+]1C)C1CC[NH+](C)CC1 ZINC000623724273 367636091 /nfs/dbraw/zinc/63/60/91/367636091.db2.gz ZVQVSNYXIRMOOI-OCCSQVGLSA-N 2 2 298.431 0.347 20 0 CCADLP O[C@H]1CC[N@H+](CC[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000623838088 367675409 /nfs/dbraw/zinc/67/54/09/367675409.db2.gz GNXJDGLOKVMAAV-ZDUSSCGKSA-N 2 2 296.440 0.768 20 0 CCADLP O[C@H]1CC[N@@H+](CC[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000623838088 367675413 /nfs/dbraw/zinc/67/54/13/367675413.db2.gz GNXJDGLOKVMAAV-ZDUSSCGKSA-N 2 2 296.440 0.768 20 0 CCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1c1nc(N)[nH+]c(N)n1 ZINC000623982771 367715182 /nfs/dbraw/zinc/71/51/82/367715182.db2.gz HFMWFXFRRPFSHD-NSHDSACASA-N 2 2 299.382 0.407 20 0 CCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1c1nc(N)[nH+]c(N)n1 ZINC000623982771 367715190 /nfs/dbraw/zinc/71/51/90/367715190.db2.gz HFMWFXFRRPFSHD-NSHDSACASA-N 2 2 299.382 0.407 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000624324549 367833043 /nfs/dbraw/zinc/83/30/43/367833043.db2.gz ODDOMFHJKVLEQR-CHWSQXEVSA-N 2 2 298.431 0.489 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000624324549 367833046 /nfs/dbraw/zinc/83/30/46/367833046.db2.gz ODDOMFHJKVLEQR-CHWSQXEVSA-N 2 2 298.431 0.489 20 0 CCADLP C[NH+]1CCOC[C@H]1CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000624324549 367833048 /nfs/dbraw/zinc/83/30/48/367833048.db2.gz ODDOMFHJKVLEQR-CHWSQXEVSA-N 2 2 298.431 0.489 20 0 CCADLP C[NH+]1CCOC[C@H]1CNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000624324549 367833051 /nfs/dbraw/zinc/83/30/51/367833051.db2.gz ODDOMFHJKVLEQR-CHWSQXEVSA-N 2 2 298.431 0.489 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000624577349 367921912 /nfs/dbraw/zinc/92/19/12/367921912.db2.gz YMPRXVIXTQVFAT-KGLIPLIRSA-N 2 2 296.415 0.197 20 0 CCADLP C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000624577349 367921918 /nfs/dbraw/zinc/92/19/18/367921918.db2.gz YMPRXVIXTQVFAT-KGLIPLIRSA-N 2 2 296.415 0.197 20 0 CCADLP CN(C)C(=O)CC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625544879 368238171 /nfs/dbraw/zinc/23/81/71/368238171.db2.gz FRDASJUOASPSAC-UHFFFAOYSA-N 2 2 269.389 0.261 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000625564535 368247921 /nfs/dbraw/zinc/24/79/21/368247921.db2.gz VRKPCNUFDVIKME-CYBMUJFWSA-N 2 2 293.415 0.191 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000625564535 368247927 /nfs/dbraw/zinc/24/79/27/368247927.db2.gz VRKPCNUFDVIKME-CYBMUJFWSA-N 2 2 293.415 0.191 20 0 CCADLP c1n[nH]cc1C[NH+]1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000625475159 368216027 /nfs/dbraw/zinc/21/60/27/368216027.db2.gz WPVMXQNONTYDAP-UHFFFAOYSA-N 2 2 293.415 0.250 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCO[C@@H](CC(N)=O)C1 ZINC000626081490 368432622 /nfs/dbraw/zinc/43/26/22/368432622.db2.gz FZISIIQTJUFVJQ-STQMWFEESA-N 2 2 269.389 0.437 20 0 CCADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCO[C@@H](CC(N)=O)C1 ZINC000626081490 368432627 /nfs/dbraw/zinc/43/26/27/368432627.db2.gz FZISIIQTJUFVJQ-STQMWFEESA-N 2 2 269.389 0.437 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626081490 368432632 /nfs/dbraw/zinc/43/26/32/368432632.db2.gz FZISIIQTJUFVJQ-STQMWFEESA-N 2 2 269.389 0.437 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626081490 368432638 /nfs/dbraw/zinc/43/26/38/368432638.db2.gz FZISIIQTJUFVJQ-STQMWFEESA-N 2 2 269.389 0.437 20 0 CCADLP O[C@H](C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)C1CCC1 ZINC000566732276 291434147 /nfs/dbraw/zinc/43/41/47/291434147.db2.gz UZPNARCGMQLRJS-MGPQQGTHSA-N 2 2 254.374 0.504 20 0 CCADLP C[NH2+]CCOCCN(C)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000626939456 368689717 /nfs/dbraw/zinc/68/97/17/368689717.db2.gz FGUNWTIBLLXIAU-GFCCVEGCSA-N 2 2 283.376 0.149 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCCCn1cc[nH+]c1 ZINC000626945886 368693038 /nfs/dbraw/zinc/69/30/38/368693038.db2.gz NSUBUZXWSVZENP-NWDGAFQWSA-N 2 2 265.361 0.713 20 0 CCADLP CCN(CC[NH3+])C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000626968350 368701519 /nfs/dbraw/zinc/70/15/19/368701519.db2.gz GOERCCZAGCUMID-UHFFFAOYSA-N 2 2 293.293 0.936 20 0 CCADLP C[C@@H](NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000626970801 368703466 /nfs/dbraw/zinc/70/34/66/368703466.db2.gz UURIJWASNHIILO-MQYQWHSLSA-N 2 2 298.431 0.535 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCc1ccc(C[NH3+])cc1 ZINC000627109583 368802807 /nfs/dbraw/zinc/80/28/07/368802807.db2.gz XYNDWGZBUAVVBS-AWEZNQCLSA-N 2 2 292.383 0.275 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCc1ccc(C[NH3+])cc1 ZINC000627109583 368802809 /nfs/dbraw/zinc/80/28/09/368802809.db2.gz XYNDWGZBUAVVBS-AWEZNQCLSA-N 2 2 292.383 0.275 20 0 CCADLP CCC[C@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])OCC ZINC000627122477 368814032 /nfs/dbraw/zinc/81/40/32/368814032.db2.gz HOHPFYPQNMOBFL-CHWSQXEVSA-N 2 2 286.420 0.476 20 0 CCADLP CCC[C@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])OCC ZINC000627122477 368814038 /nfs/dbraw/zinc/81/40/38/368814038.db2.gz HOHPFYPQNMOBFL-CHWSQXEVSA-N 2 2 286.420 0.476 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000627100667 368795584 /nfs/dbraw/zinc/79/55/84/368795584.db2.gz KHXACOOXBPTUBC-OLZOCXBDSA-N 2 2 284.404 0.148 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000627100667 368795590 /nfs/dbraw/zinc/79/55/90/368795590.db2.gz KHXACOOXBPTUBC-OLZOCXBDSA-N 2 2 284.404 0.148 20 0 CCADLP C[NH2+]CCC1CCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000627183848 368853567 /nfs/dbraw/zinc/85/35/67/368853567.db2.gz ODPKRPMFQQWHPZ-CQSZACIVSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH2+]CCC1CCN(C(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000627183848 368853575 /nfs/dbraw/zinc/85/35/75/368853575.db2.gz ODPKRPMFQQWHPZ-CQSZACIVSA-N 2 2 298.431 0.348 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627655957 369069297 /nfs/dbraw/zinc/06/92/97/369069297.db2.gz NYRLYDKPVUALCE-SSKLVLDBSA-N 2 2 274.368 0.542 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CC[NH+](CCCF)CC1 ZINC000627957858 369146374 /nfs/dbraw/zinc/14/63/74/369146374.db2.gz VDZBRCRZJMLQHD-UHFFFAOYSA-N 2 2 259.369 0.832 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[NH+](CCCF)CC1 ZINC000627957858 369146382 /nfs/dbraw/zinc/14/63/82/369146382.db2.gz VDZBRCRZJMLQHD-UHFFFAOYSA-N 2 2 259.369 0.832 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C12CC(C1)C2 ZINC000628062487 369174520 /nfs/dbraw/zinc/17/45/20/369174520.db2.gz HPCMIHDGIKSHOB-UHFFFAOYSA-N 2 2 253.390 0.786 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C12CC(C1)C2 ZINC000628062487 369174528 /nfs/dbraw/zinc/17/45/28/369174528.db2.gz HPCMIHDGIKSHOB-UHFFFAOYSA-N 2 2 253.390 0.786 20 0 CCADLP Cc1c[nH]c(CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)[nH+]1 ZINC000628167092 369198337 /nfs/dbraw/zinc/19/83/37/369198337.db2.gz CRUSUBMZWHHGJZ-AWEZNQCLSA-N 2 2 277.416 0.930 20 0 CCADLP Cc1c[nH]c(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)[nH+]1 ZINC000628167092 369198344 /nfs/dbraw/zinc/19/83/44/369198344.db2.gz CRUSUBMZWHHGJZ-AWEZNQCLSA-N 2 2 277.416 0.930 20 0 CCADLP Cc1cn2c([nH+]1)[C@H](CNC(=O)N[C@H]1CC[NH2+]C1)CCC2 ZINC000574340830 335012522 /nfs/dbraw/zinc/01/25/22/335012522.db2.gz WMEAKFILMTXKEG-RYUDHWBXSA-N 2 2 277.372 0.730 20 0 CCADLP CC[NH+]1CCC(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000330752757 203192101 /nfs/dbraw/zinc/19/21/01/203192101.db2.gz XHAGKXXTYMYUGH-UHFFFAOYSA-N 2 2 250.346 0.943 20 0 CCADLP CC[NH+]1CCC(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000330752757 203192105 /nfs/dbraw/zinc/19/21/05/203192105.db2.gz XHAGKXXTYMYUGH-UHFFFAOYSA-N 2 2 250.346 0.943 20 0 CCADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000628464741 369271161 /nfs/dbraw/zinc/27/11/61/369271161.db2.gz HMAWLYSOHLRQRJ-SWLSCSKDSA-N 2 2 264.369 0.979 20 0 CCADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000628464741 369271162 /nfs/dbraw/zinc/27/11/62/369271162.db2.gz HMAWLYSOHLRQRJ-SWLSCSKDSA-N 2 2 264.369 0.979 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000330828885 203287394 /nfs/dbraw/zinc/28/73/94/203287394.db2.gz TWYUUSOOEWJQRH-NSHDSACASA-N 2 2 266.345 0.336 20 0 CCADLP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2COCC[N@@H+]2C)c1 ZINC000628919709 369463420 /nfs/dbraw/zinc/46/34/20/369463420.db2.gz VENGNUINLLSQSO-OAHLLOKOSA-N 2 2 291.395 0.809 20 0 CCADLP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2COCC[N@H+]2C)c1 ZINC000628919709 369463422 /nfs/dbraw/zinc/46/34/22/369463422.db2.gz VENGNUINLLSQSO-OAHLLOKOSA-N 2 2 291.395 0.809 20 0 CCADLP C[C@@H](c1nnnn1C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000276229305 193250956 /nfs/dbraw/zinc/25/09/56/193250956.db2.gz MXZZKOKRDKHYHW-VHSXEESVSA-N 2 2 261.333 0.874 20 0 CCADLP C[C@@H](c1nnnn1C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000276229305 193250958 /nfs/dbraw/zinc/25/09/58/193250958.db2.gz MXZZKOKRDKHYHW-VHSXEESVSA-N 2 2 261.333 0.874 20 0 CCADLP CC(C)(O)CC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000330898126 203368054 /nfs/dbraw/zinc/36/80/54/203368054.db2.gz OWVNJDIHUQOULP-UHFFFAOYSA-N 2 2 252.362 0.688 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)NCC[N@@H+]3CC[C@@H](O)C3)ccn12 ZINC000629168579 369542436 /nfs/dbraw/zinc/54/24/36/369542436.db2.gz YSHCYTSNDRKHOU-CYBMUJFWSA-N 2 2 288.351 0.439 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)NCC[N@H+]3CC[C@@H](O)C3)ccn12 ZINC000629168579 369542442 /nfs/dbraw/zinc/54/24/42/369542442.db2.gz YSHCYTSNDRKHOU-CYBMUJFWSA-N 2 2 288.351 0.439 20 0 CCADLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)N(C)C)[nH]2)C[NH2+]1 ZINC000629412844 369667110 /nfs/dbraw/zinc/66/71/10/369667110.db2.gz LHCOZIAILAIJLN-GHMZBOCLSA-N 2 2 264.373 0.947 20 0 CCADLP C[NH2+]CCOCC[N@H+](C)Cc1cc2n(n1)CCC2 ZINC000629572107 369717731 /nfs/dbraw/zinc/71/77/31/369717731.db2.gz MXUWTLIYMHZLME-UHFFFAOYSA-N 2 2 252.362 0.497 20 0 CCADLP C[NH2+]CCOCC[N@@H+](C)Cc1cc2n(n1)CCC2 ZINC000629572107 369717735 /nfs/dbraw/zinc/71/77/35/369717735.db2.gz MXUWTLIYMHZLME-UHFFFAOYSA-N 2 2 252.362 0.497 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000629515711 369689156 /nfs/dbraw/zinc/68/91/56/369689156.db2.gz VFQMVBFYKCLKPE-MCIONIFRSA-N 3 2 282.432 0.433 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000629515711 369689160 /nfs/dbraw/zinc/68/91/60/369689160.db2.gz VFQMVBFYKCLKPE-MCIONIFRSA-N 3 2 282.432 0.433 20 0 CCADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000629547536 369701137 /nfs/dbraw/zinc/70/11/37/369701137.db2.gz ULGRQQWQQKADIF-MGPQQGTHSA-N 2 2 283.416 0.873 20 0 CCADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000629547536 369701142 /nfs/dbraw/zinc/70/11/42/369701142.db2.gz ULGRQQWQQKADIF-MGPQQGTHSA-N 2 2 283.416 0.873 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000629550388 369702533 /nfs/dbraw/zinc/70/25/33/369702533.db2.gz YCYBZFXNEYAEPM-ZRJCITRHSA-N 2 2 254.374 0.911 20 0 CCADLP CCS(=O)(=O)NCCC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629593198 369732495 /nfs/dbraw/zinc/73/24/95/369732495.db2.gz IGLGHAHBMHBENC-BETUJISGSA-N 2 2 289.445 0.247 20 0 CCADLP CCS(=O)(=O)NCCC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629593198 369732501 /nfs/dbraw/zinc/73/25/01/369732501.db2.gz IGLGHAHBMHBENC-BETUJISGSA-N 2 2 289.445 0.247 20 0 CCADLP C(O[C@@H]1CC[NH2+]C1)C1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000629591627 369732832 /nfs/dbraw/zinc/73/28/32/369732832.db2.gz LHQJVYUONLQXDA-CABCVRRESA-N 3 2 283.416 0.065 20 0 CCADLP C[C@H]([NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)[C@H]1CCC[NH2+]1 ZINC000423109710 299408566 /nfs/dbraw/zinc/40/85/66/299408566.db2.gz SXOOMVUTJKVJDF-WUHRBBMRSA-N 2 2 258.406 0.875 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@](C)(O)CC[NH+](C)C ZINC000629984197 369869619 /nfs/dbraw/zinc/86/96/19/369869619.db2.gz BIDKBXXEDNBYQU-LALPHHSUSA-N 2 2 294.399 0.343 20 0 CCADLP C[N@H+](CC(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1)C1CCC1 ZINC000629995753 369881499 /nfs/dbraw/zinc/88/14/99/369881499.db2.gz JGIJSSJLMDBWGG-OAHLLOKOSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@@H+](CC(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1)C1CCC1 ZINC000629995753 369881502 /nfs/dbraw/zinc/88/15/02/369881502.db2.gz JGIJSSJLMDBWGG-OAHLLOKOSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+]1CCOC[C@H]1CNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000630023836 369901346 /nfs/dbraw/zinc/90/13/46/369901346.db2.gz RQNXWCYTRZGKGL-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+]1CCOC[C@H]1CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000630023836 369901348 /nfs/dbraw/zinc/90/13/48/369901348.db2.gz RQNXWCYTRZGKGL-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+]1CCCC[C@@H]1CCC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000630023836 369901351 /nfs/dbraw/zinc/90/13/51/369901351.db2.gz RQNXWCYTRZGKGL-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+]1CCCC[C@@H]1CCC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000630023836 369901353 /nfs/dbraw/zinc/90/13/53/369901353.db2.gz RQNXWCYTRZGKGL-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H](O)CC1(O)CCOCC1 ZINC000630046290 369920981 /nfs/dbraw/zinc/92/09/81/369920981.db2.gz UMXUMLCVBMNRSQ-CQSZACIVSA-N 2 2 297.399 0.498 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H](O)CC1(O)CCOCC1 ZINC000630046290 369920982 /nfs/dbraw/zinc/92/09/82/369920982.db2.gz UMXUMLCVBMNRSQ-CQSZACIVSA-N 2 2 297.399 0.498 20 0 CCADLP CCCCNc1cc(N[C@@H]2CC[NH2+][C@H]2C)nc(N)[nH+]1 ZINC000630544273 370159841 /nfs/dbraw/zinc/15/98/41/370159841.db2.gz GYWOVEWOPLCFIS-VHSXEESVSA-N 2 2 264.377 0.685 20 0 CCADLP OC[C@@H]1CCCN(c2cc(N3C[C@@H]4C[C@H]3C[NH2+]4)nc[nH+]2)C1 ZINC000630553843 370165455 /nfs/dbraw/zinc/16/54/55/370165455.db2.gz MBKOPQSCHYVFRR-AGIUHOORSA-N 2 2 289.383 0.236 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCOCC2(C)C)CC[N@@H+]1C ZINC000630919416 370320345 /nfs/dbraw/zinc/32/03/45/370320345.db2.gz DOHFTNWAZFAWFM-UONOGXRCSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCOCC2(C)C)CC[N@H+]1C ZINC000630919416 370320349 /nfs/dbraw/zinc/32/03/49/370320349.db2.gz DOHFTNWAZFAWFM-UONOGXRCSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+]2CCOCC2(C)C)CC[NH+]1C ZINC000630919416 370320352 /nfs/dbraw/zinc/32/03/52/370320352.db2.gz DOHFTNWAZFAWFM-UONOGXRCSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[N@H+]2CCOCC2(C)C)CC[NH+]1C ZINC000630919416 370320354 /nfs/dbraw/zinc/32/03/54/370320354.db2.gz DOHFTNWAZFAWFM-UONOGXRCSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000631000999 370356552 /nfs/dbraw/zinc/35/65/52/370356552.db2.gz KXVWWAWCJPDXPJ-GMTAPVOTSA-N 2 2 251.334 0.403 20 0 CCADLP CC(C)n1ncnc1C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000631065456 370373534 /nfs/dbraw/zinc/37/35/34/370373534.db2.gz SMAXPRWVCAXTTL-ZDUSSCGKSA-N 2 2 280.420 0.585 20 0 CCADLP Cc1nc(N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)nc(N)[nH+]1 ZINC000631072336 370376219 /nfs/dbraw/zinc/37/62/19/370376219.db2.gz TXWRHYRZIORCOW-OUAUKWLOSA-N 2 2 278.404 0.793 20 0 CCADLP Cc1nc(N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)nc(N)[nH+]1 ZINC000631072336 370376222 /nfs/dbraw/zinc/37/62/22/370376222.db2.gz TXWRHYRZIORCOW-OUAUKWLOSA-N 2 2 278.404 0.793 20 0 CCADLP COc1cc(F)cc(OC)c1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000631111468 370386431 /nfs/dbraw/zinc/38/64/31/370386431.db2.gz KHIJVIRHLYXTFN-OAHLLOKOSA-N 2 2 298.358 0.999 20 0 CCADLP COc1cc(F)cc(OC)c1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000631111468 370386439 /nfs/dbraw/zinc/38/64/39/370386439.db2.gz KHIJVIRHLYXTFN-OAHLLOKOSA-N 2 2 298.358 0.999 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC[N@@H+]1C ZINC000630934631 370329222 /nfs/dbraw/zinc/32/92/22/370329222.db2.gz AIXWUWZESZMGNJ-ZQDZILKHSA-N 2 2 297.443 0.942 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CC[N@H+]1C ZINC000630934631 370329227 /nfs/dbraw/zinc/32/92/27/370329227.db2.gz AIXWUWZESZMGNJ-ZQDZILKHSA-N 2 2 297.443 0.942 20 0 CCADLP Cc1[nH+]ccn1CCCCNc1nc(C)[nH+]c(N)n1 ZINC000631128138 370394569 /nfs/dbraw/zinc/39/45/69/370394569.db2.gz KMMZTEFZTAWJNZ-UHFFFAOYSA-N 2 2 261.333 0.412 20 0 CCADLP Cc1[nH+]ccn1CCCCNc1nc(N)nc(C)[nH+]1 ZINC000631128138 370394573 /nfs/dbraw/zinc/39/45/73/370394573.db2.gz KMMZTEFZTAWJNZ-UHFFFAOYSA-N 2 2 261.333 0.412 20 0 CCADLP CCCC[N@H+](C)C[C@@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000631290690 370456693 /nfs/dbraw/zinc/45/66/93/370456693.db2.gz SYLZFDXMCUKMEU-SECBINFHSA-N 2 2 252.366 0.547 20 0 CCADLP CCCC[N@@H+](C)C[C@@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000631290690 370456697 /nfs/dbraw/zinc/45/66/97/370456697.db2.gz SYLZFDXMCUKMEU-SECBINFHSA-N 2 2 252.366 0.547 20 0 CCADLP Cc1nc(NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)cc[nH+]1 ZINC000631306740 370466830 /nfs/dbraw/zinc/46/68/30/370466830.db2.gz IFMXAROEESCFCJ-CYBMUJFWSA-N 2 2 289.383 0.892 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000331310951 203707461 /nfs/dbraw/zinc/70/74/61/203707461.db2.gz UXFHBVOKBJLSRI-RYUDHWBXSA-N 2 2 264.373 0.902 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@](O)(CC)C2)CC1 ZINC000640030323 376201862 /nfs/dbraw/zinc/20/18/62/376201862.db2.gz GLWBVLZTEGYQGG-GOEBONIOSA-N 2 2 297.443 0.776 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@](O)(CC)C2)CC1 ZINC000640030323 376201871 /nfs/dbraw/zinc/20/18/71/376201871.db2.gz GLWBVLZTEGYQGG-GOEBONIOSA-N 2 2 297.443 0.776 20 0 CCADLP CCOC(C)(C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000631624157 370614543 /nfs/dbraw/zinc/61/45/43/370614543.db2.gz DADOKEMBQPNGBT-UHFFFAOYSA-N 2 2 285.432 0.944 20 0 CCADLP CC(C)[C@@H]1CN(S(=O)(=O)CC2([NH+](C)C)CC2)CC[NH2+]1 ZINC000632580501 371157621 /nfs/dbraw/zinc/15/76/21/371157621.db2.gz WWHGUQXDXRLBHK-LBPRGKRZSA-N 2 2 289.445 0.340 20 0 CCADLP Cc1noc(CN2CC[NH+](CCn3cc[nH+]c3C)CC2)n1 ZINC000331847137 204228568 /nfs/dbraw/zinc/22/85/68/204228568.db2.gz NKDBHXCRAZOLJQ-UHFFFAOYSA-N 2 2 290.371 0.701 20 0 CCADLP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000331938756 204314969 /nfs/dbraw/zinc/31/49/69/204314969.db2.gz FPTHUGCCKBJPCJ-KGLIPLIRSA-N 3 2 282.432 0.400 20 0 CCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@H](O)C3CC3)c2)CC1 ZINC000634193059 371944871 /nfs/dbraw/zinc/94/48/71/371944871.db2.gz DSQATOLKLJXDAH-CQSZACIVSA-N 2 2 290.367 0.543 20 0 CCADLP CO[C@H]1CN(c2cc(-n3cc[nH+]c3)ncn2)[C@@](C)(C[NH3+])C1 ZINC000634238404 371962283 /nfs/dbraw/zinc/96/22/83/371962283.db2.gz CVIZTFPHFQWVSN-BXUZGUMPSA-N 2 2 288.355 0.605 20 0 CCADLP CC[NH+](CC)CCn1cc([C@@H]2COCC[NH2+]2)nn1 ZINC000656439647 412795079 /nfs/dbraw/zinc/79/50/79/412795079.db2.gz ZJWJCNTUDOQJCE-LBPRGKRZSA-N 2 2 253.350 0.281 20 0 CCADLP C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)O1 ZINC000634688404 372133097 /nfs/dbraw/zinc/13/30/97/372133097.db2.gz RJIHQBMMOWTBIV-HZSPNIEDSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)O1 ZINC000634688404 372133107 /nfs/dbraw/zinc/13/31/07/372133107.db2.gz RJIHQBMMOWTBIV-HZSPNIEDSA-N 2 2 281.400 0.450 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](O)CC2(O)CCOCC2)C1 ZINC000634707661 372152507 /nfs/dbraw/zinc/15/25/07/372152507.db2.gz JSUKNLUXVAICSP-BFHYXJOUSA-N 2 2 286.416 0.209 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](O)CC2(O)CCOCC2)C1 ZINC000634707661 372152509 /nfs/dbraw/zinc/15/25/09/372152509.db2.gz JSUKNLUXVAICSP-BFHYXJOUSA-N 2 2 286.416 0.209 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)C1 ZINC000634708583 372153545 /nfs/dbraw/zinc/15/35/45/372153545.db2.gz WVOXJJSZGVELMJ-MHEUCROKSA-N 2 2 270.417 0.828 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)C1 ZINC000634708583 372153551 /nfs/dbraw/zinc/15/35/51/372153551.db2.gz WVOXJJSZGVELMJ-MHEUCROKSA-N 2 2 270.417 0.828 20 0 CCADLP C[C@](O)(C[C@H](O)C[NH2+][C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000634712090 372156856 /nfs/dbraw/zinc/15/68/56/372156856.db2.gz YXXPVUMRHNVJIH-YDHLFZDLSA-N 2 2 279.384 0.700 20 0 CCADLP C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000332537130 204777203 /nfs/dbraw/zinc/77/72/03/204777203.db2.gz ABVMAKHFHLFPAT-KGLIPLIRSA-N 2 2 297.443 0.992 20 0 CCADLP Cn1cc[nH+]c1CN1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634992619 372327178 /nfs/dbraw/zinc/32/71/78/372327178.db2.gz VZQLBQDLTNLRIP-UHFFFAOYSA-N 2 2 275.400 0.290 20 0 CCADLP CN1CCC2(CC[NH+](CC34CC(C3)C[NH2+]4)CC2)C1=O ZINC000634994231 372329142 /nfs/dbraw/zinc/32/91/42/372329142.db2.gz WHPUZYWKIIQTKF-UHFFFAOYSA-N 2 2 263.385 0.683 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC000635383718 372483306 /nfs/dbraw/zinc/48/33/06/372483306.db2.gz WCTHJNOIJKTWJB-NQBHXWOUSA-N 2 2 262.357 0.970 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC000635383718 372483314 /nfs/dbraw/zinc/48/33/14/372483314.db2.gz WCTHJNOIJKTWJB-NQBHXWOUSA-N 2 2 262.357 0.970 20 0 CCADLP CC(C)(C[NH+]1CCOCC1)C(=O)NCCn1cc[nH+]c1 ZINC000635282426 372445489 /nfs/dbraw/zinc/44/54/89/372445489.db2.gz WMFOLFHZIINZGD-UHFFFAOYSA-N 2 2 280.372 0.358 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CCC[N@H+](CCOC)CC2)[nH+]1 ZINC000635423225 372504000 /nfs/dbraw/zinc/50/40/00/372504000.db2.gz ZSMKQUAPGTXDAD-UHFFFAOYSA-N 2 2 294.399 0.695 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CCC[N@@H+](CCOC)CC2)[nH+]1 ZINC000635423225 372504010 /nfs/dbraw/zinc/50/40/10/372504010.db2.gz ZSMKQUAPGTXDAD-UHFFFAOYSA-N 2 2 294.399 0.695 20 0 CCADLP C[NH+](C)CCn1cc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cn1 ZINC000635463350 372532105 /nfs/dbraw/zinc/53/21/05/372532105.db2.gz LISUCZIIJBCBAP-VXGBXAGGSA-N 2 2 288.355 0.910 20 0 CCADLP C[NH+](C)CCn1cc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cn1 ZINC000635463350 372532109 /nfs/dbraw/zinc/53/21/09/372532109.db2.gz LISUCZIIJBCBAP-VXGBXAGGSA-N 2 2 288.355 0.910 20 0 CCADLP C[C@H]([C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000635506875 372570794 /nfs/dbraw/zinc/57/07/94/372570794.db2.gz WRHUEDUTHBYMSZ-BFHYXJOUSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H]([C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000635506875 372570797 /nfs/dbraw/zinc/57/07/97/372570797.db2.gz WRHUEDUTHBYMSZ-BFHYXJOUSA-N 2 2 283.416 0.554 20 0 CCADLP [NH3+]C[C@H]1CC[C@H](NC(=O)NCCn2cc[nH+]c2)CC1 ZINC000635528815 372589990 /nfs/dbraw/zinc/58/99/90/372589990.db2.gz WUHIICFZNSXXFX-HAQNSBGRSA-N 2 2 265.361 0.700 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635555747 372622449 /nfs/dbraw/zinc/62/24/49/372622449.db2.gz HBXGMJAOQTWDMQ-OAHLLOKOSA-N 2 2 295.427 0.794 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635555747 372622457 /nfs/dbraw/zinc/62/24/57/372622457.db2.gz HBXGMJAOQTWDMQ-OAHLLOKOSA-N 2 2 295.427 0.794 20 0 CCADLP C[C@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[NH+](C)C ZINC000635560356 372630545 /nfs/dbraw/zinc/63/05/45/372630545.db2.gz LHNOWQMLGBQNGJ-CYBMUJFWSA-N 3 2 284.448 0.421 20 0 CCADLP C[C@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[NH+](C)C ZINC000635560356 372630548 /nfs/dbraw/zinc/63/05/48/372630548.db2.gz LHNOWQMLGBQNGJ-CYBMUJFWSA-N 3 2 284.448 0.421 20 0 CCADLP [NH3+]CCCCCn1cc(C[NH+]2CCSCC2)nn1 ZINC000656452534 412800876 /nfs/dbraw/zinc/80/08/76/412800876.db2.gz RRUYYYMPDMSWAE-UHFFFAOYSA-N 2 2 269.418 0.956 20 0 CCADLP [NH3+][C@@H](CO)c1cn(Cc2cn3cc(Cl)ccc3[nH+]2)nn1 ZINC000656451072 412801005 /nfs/dbraw/zinc/80/10/05/412801005.db2.gz KOVPVMMQCYSEMV-JTQLQIEISA-N 2 2 292.730 0.620 20 0 CCADLP O=C(NCc1ccn2cc[nH+]c2c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000333372887 205264329 /nfs/dbraw/zinc/26/43/29/205264329.db2.gz MQPQLUFHDBFNJH-BETUJISGSA-N 2 2 285.351 0.695 20 0 CCADLP CC(C)(C[NH3+])Cn1cc(C[NH+]2CCSCC2)nn1 ZINC000656457870 412804774 /nfs/dbraw/zinc/80/47/74/412804774.db2.gz RXNWMRJZSNFCIK-UHFFFAOYSA-N 2 2 269.418 0.812 20 0 CCADLP CC(C)(C)N1CC[C@H]([NH+]2CCN(c3[nH]cc[nH+]3)CC2)C1=O ZINC000568167839 291559164 /nfs/dbraw/zinc/55/91/64/291559164.db2.gz PGULNUZJTUTWSH-LBPRGKRZSA-N 2 2 291.399 0.931 20 0 CCADLP C[N@@H+]1CCC[C@H]1CNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000333459510 205336484 /nfs/dbraw/zinc/33/64/84/205336484.db2.gz PGYWOBRQLLZVAP-ZDUSSCGKSA-N 2 2 296.415 0.245 20 0 CCADLP C[N@H+]1CCC[C@H]1CNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000333459510 205336488 /nfs/dbraw/zinc/33/64/88/205336488.db2.gz PGYWOBRQLLZVAP-ZDUSSCGKSA-N 2 2 296.415 0.245 20 0 CCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC000635920224 373107483 /nfs/dbraw/zinc/10/74/83/373107483.db2.gz RQGBAFWNDPROJT-UONOGXRCSA-N 2 2 295.427 0.650 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@H](C)C[NH+](C)C)[nH+]1 ZINC000635953531 373150267 /nfs/dbraw/zinc/15/02/67/373150267.db2.gz LBPCVDHELZSHCK-JTQLQIEISA-N 2 2 252.362 0.829 20 0 CCADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)[C@@H]1CCCC[NH+]1C ZINC000636035528 373284514 /nfs/dbraw/zinc/28/45/14/373284514.db2.gz SFOCVIJSJMGOFO-MCIONIFRSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)[C@@H]1CCCC[NH+]1C ZINC000636035528 373284519 /nfs/dbraw/zinc/28/45/19/373284519.db2.gz SFOCVIJSJMGOFO-MCIONIFRSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000636035528 373284526 /nfs/dbraw/zinc/28/45/26/373284526.db2.gz SFOCVIJSJMGOFO-MCIONIFRSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC000636035528 373284530 /nfs/dbraw/zinc/28/45/30/373284530.db2.gz SFOCVIJSJMGOFO-MCIONIFRSA-N 2 2 283.416 0.384 20 0 CCADLP C[NH+](C)[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1(C)C ZINC000636088713 373344588 /nfs/dbraw/zinc/34/45/88/373344588.db2.gz HOSZMFSPVYJBLL-GHMZBOCLSA-N 2 2 250.346 0.728 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636447157 373604081 /nfs/dbraw/zinc/60/40/81/373604081.db2.gz OETWTGKFVYLILE-LLVKDONJSA-N 2 2 274.328 0.394 20 0 CCADLP O=C(NCCCCn1cc[nH+]c1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636621312 373677716 /nfs/dbraw/zinc/67/77/16/373677716.db2.gz IHZKZPYLXJJXEL-LBPRGKRZSA-N 2 2 288.355 0.784 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636666089 373698822 /nfs/dbraw/zinc/69/88/22/373698822.db2.gz UQSKLHZMLOFYAC-GHMZBOCLSA-N 2 2 265.361 0.447 20 0 CCADLP C[C@H](CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)[N@H+](C)C1CC1 ZINC000636731562 373727451 /nfs/dbraw/zinc/72/74/51/373727451.db2.gz QGYCWCFHSJGEQZ-GHMZBOCLSA-N 2 2 277.372 0.590 20 0 CCADLP C[C@H](CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)[N@@H+](C)C1CC1 ZINC000636731562 373727455 /nfs/dbraw/zinc/72/74/55/373727455.db2.gz QGYCWCFHSJGEQZ-GHMZBOCLSA-N 2 2 277.372 0.590 20 0 CCADLP C[C@H](CNC(=O)N[C@H]1Cc2c[nH+]cn2C1)[N@H+](C)C1CC1 ZINC000636731568 373727627 /nfs/dbraw/zinc/72/76/27/373727627.db2.gz QGYCWCFHSJGEQZ-MNOVXSKESA-N 2 2 277.372 0.590 20 0 CCADLP C[C@H](CNC(=O)N[C@H]1Cc2c[nH+]cn2C1)[N@@H+](C)C1CC1 ZINC000636731568 373727631 /nfs/dbraw/zinc/72/76/31/373727631.db2.gz QGYCWCFHSJGEQZ-MNOVXSKESA-N 2 2 277.372 0.590 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000636909725 373816590 /nfs/dbraw/zinc/81/65/90/373816590.db2.gz XSQSBKXHDQHAJQ-MGPQQGTHSA-N 2 2 283.416 0.648 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000636909725 373816596 /nfs/dbraw/zinc/81/65/96/373816596.db2.gz XSQSBKXHDQHAJQ-MGPQQGTHSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000636909725 373816601 /nfs/dbraw/zinc/81/66/01/373816601.db2.gz XSQSBKXHDQHAJQ-MGPQQGTHSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000636909725 373816608 /nfs/dbraw/zinc/81/66/08/373816608.db2.gz XSQSBKXHDQHAJQ-MGPQQGTHSA-N 2 2 283.416 0.648 20 0 CCADLP CCC[NH+]1CCC(NC(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1 ZINC000636851102 373789117 /nfs/dbraw/zinc/78/91/17/373789117.db2.gz ZHRJNVWCPJPMFP-ZDUSSCGKSA-N 2 2 291.399 0.981 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000637029714 373885910 /nfs/dbraw/zinc/88/59/10/373885910.db2.gz VLJXEIZLYMWQAD-RRFJBIMHSA-N 2 2 295.427 0.650 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000637029714 373885917 /nfs/dbraw/zinc/88/59/17/373885917.db2.gz VLJXEIZLYMWQAD-RRFJBIMHSA-N 2 2 295.427 0.650 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000637029714 373885921 /nfs/dbraw/zinc/88/59/21/373885921.db2.gz VLJXEIZLYMWQAD-RRFJBIMHSA-N 2 2 295.427 0.650 20 0 CCADLP O=C(NCc1ccc2c[nH+]cn2c1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000637211902 374015281 /nfs/dbraw/zinc/01/52/81/374015281.db2.gz DFTYSPOYWPQIIE-LBPRGKRZSA-N 2 2 296.334 0.955 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000289493969 197375490 /nfs/dbraw/zinc/37/54/90/197375490.db2.gz CRZHHVKHXNGRPS-AWEZNQCLSA-N 2 2 292.383 0.286 20 0 CCADLP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H]1COCC[NH+]1CC ZINC000637415235 374144081 /nfs/dbraw/zinc/14/40/81/374144081.db2.gz NALUSLOSVLJZGT-ZDUSSCGKSA-N 2 2 285.432 0.944 20 0 CCADLP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@@H]1COCC[NH+]1CC ZINC000637415235 374144089 /nfs/dbraw/zinc/14/40/89/374144089.db2.gz NALUSLOSVLJZGT-ZDUSSCGKSA-N 2 2 285.432 0.944 20 0 CCADLP CCC[NH+](C)CC(C)(C)NC(=O)[C@@H]1COCC[N@@H+]1CC ZINC000637415235 374144096 /nfs/dbraw/zinc/14/40/96/374144096.db2.gz NALUSLOSVLJZGT-ZDUSSCGKSA-N 2 2 285.432 0.944 20 0 CCADLP CCC[NH+](C)CC(C)(C)NC(=O)[C@@H]1COCC[N@H+]1CC ZINC000637415235 374144098 /nfs/dbraw/zinc/14/40/98/374144098.db2.gz NALUSLOSVLJZGT-ZDUSSCGKSA-N 2 2 285.432 0.944 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@@H]2CCC[NH+]2C)[C@@H](C)CO1 ZINC000637532509 374217289 /nfs/dbraw/zinc/21/72/89/374217289.db2.gz FBWXJCTVPCVRGC-MJBXVCDLSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H]2CCC[NH+]2C)[C@@H](C)CO1 ZINC000637532509 374217298 /nfs/dbraw/zinc/21/72/98/374217298.db2.gz FBWXJCTVPCVRGC-MJBXVCDLSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2CCC[N@@H+]2C)[C@@H](C)CO1 ZINC000637532509 374217303 /nfs/dbraw/zinc/21/73/03/374217303.db2.gz FBWXJCTVPCVRGC-MJBXVCDLSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2CCC[N@H+]2C)[C@@H](C)CO1 ZINC000637532509 374217310 /nfs/dbraw/zinc/21/73/10/374217310.db2.gz FBWXJCTVPCVRGC-MJBXVCDLSA-N 2 2 298.431 0.489 20 0 CCADLP [NH3+]CCCNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000637802477 374331121 /nfs/dbraw/zinc/33/11/21/374331121.db2.gz QLPKJGCVRGEECY-MRVPVSSYSA-N 2 2 264.251 0.842 20 0 CCADLP [NH3+][C@@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)C1 ZINC000637803460 374331742 /nfs/dbraw/zinc/33/17/42/374331742.db2.gz ZTUUOAWXVGSEKF-SNVBAGLBSA-N 2 2 272.308 0.751 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC[C@@H](C)[NH+](C)C ZINC000656543076 412820883 /nfs/dbraw/zinc/82/08/83/412820883.db2.gz OEQVOKDELKCABI-VXGBXAGGSA-N 2 2 267.377 0.911 20 0 CCADLP C[NH+]1CCC([N@H+](CCO)CCC[C@H]2CCO2)CC1 ZINC000637814617 374348504 /nfs/dbraw/zinc/34/85/04/374348504.db2.gz KROREPKANPAIJH-AWEZNQCLSA-N 2 2 256.390 0.944 20 0 CCADLP C[NH+]1CCC([N@@H+](CCO)CCC[C@H]2CCO2)CC1 ZINC000637814617 374348509 /nfs/dbraw/zinc/34/85/09/374348509.db2.gz KROREPKANPAIJH-AWEZNQCLSA-N 2 2 256.390 0.944 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[NH2+]CC2(C)C)[nH+]1 ZINC000637857196 374415962 /nfs/dbraw/zinc/41/59/62/374415962.db2.gz NFTGSMXLWGXLLV-UHFFFAOYSA-N 2 2 250.346 0.725 20 0 CCADLP Cc1cn2ccc(C(=O)N3CCO[C@@H]([C@@H](C)[NH3+])C3)cc2[nH+]1 ZINC000637865457 374428474 /nfs/dbraw/zinc/42/84/74/374428474.db2.gz FNCUDXGJPWUUAF-DGCLKSJQSA-N 2 2 288.351 0.831 20 0 CCADLP CC(C)C[C@H](C(=O)N1CCN(C)C[C@H]1C[NH3+])n1cc[nH+]c1 ZINC000637865748 374428939 /nfs/dbraw/zinc/42/89/39/374428939.db2.gz FCORSPPFWKJMCM-ZIAGYGMSSA-N 2 2 293.415 0.572 20 0 CCADLP CCC1(C[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)COC1 ZINC000574512066 335025009 /nfs/dbraw/zinc/02/50/09/335025009.db2.gz FTGUSPXEVOJXLO-HZSPNIEDSA-N 2 2 286.416 0.473 20 0 CCADLP CCC1(C[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)COC1 ZINC000574512066 335025010 /nfs/dbraw/zinc/02/50/10/335025010.db2.gz FTGUSPXEVOJXLO-HZSPNIEDSA-N 2 2 286.416 0.473 20 0 CCADLP C[C@@H](C[NH3+])C(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000574515635 335025493 /nfs/dbraw/zinc/02/54/93/335025493.db2.gz YGNXVYOIJBRVBL-NSHDSACASA-N 2 2 282.413 0.772 20 0 CCADLP C[C@@H](C[NH3+])C(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000574515635 335025494 /nfs/dbraw/zinc/02/54/94/335025494.db2.gz YGNXVYOIJBRVBL-NSHDSACASA-N 2 2 282.413 0.772 20 0 CCADLP [NH3+]C[C@@]1(C(=O)NCc2cn3ccccc3[nH+]2)CCCOC1 ZINC000638051772 374593876 /nfs/dbraw/zinc/59/38/76/374593876.db2.gz QPCHBKASICDSDG-HNNXBMFYSA-N 2 2 288.351 0.706 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CN(C)Cc1c[nH+]c(N)nc1N ZINC000638057909 374600489 /nfs/dbraw/zinc/60/04/89/374600489.db2.gz DHKJREFXYHHFFX-NSHDSACASA-N 2 2 264.377 0.218 20 0 CCADLP CC[N@H+]1CCC[C@H]1CN(C)Cc1c[nH+]c(N)nc1N ZINC000638057909 374600496 /nfs/dbraw/zinc/60/04/96/374600496.db2.gz DHKJREFXYHHFFX-NSHDSACASA-N 2 2 264.377 0.218 20 0 CCADLP O=C(CCC1C[NH2+]C1)NCCc1cn2ccccc2[nH+]1 ZINC000638059977 374605608 /nfs/dbraw/zinc/60/56/08/374605608.db2.gz JNPVPQWYKYLVNJ-UHFFFAOYSA-N 2 2 272.352 0.993 20 0 CCADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000638069692 374617421 /nfs/dbraw/zinc/61/74/21/374617421.db2.gz RROXUVJJJSJYRU-IUODEOHRSA-N 2 2 292.383 0.531 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638070171 374619901 /nfs/dbraw/zinc/61/99/01/374619901.db2.gz VYHDDNFHMIXXSG-GFCCVEGCSA-N 2 2 260.341 0.811 20 0 CCADLP Cc1cccn2cc(CNC(=O)[C@]3(C)C[NH2+]CCO3)[nH+]c12 ZINC000638111775 374677602 /nfs/dbraw/zinc/67/76/02/374677602.db2.gz HIKGMDIFCOXYTB-HNNXBMFYSA-N 2 2 288.351 0.637 20 0 CCADLP O=C(CCC1C[NH2+]C1)NCc1ccn2cc[nH+]c2c1 ZINC000638120044 374686591 /nfs/dbraw/zinc/68/65/91/374686591.db2.gz XDHZECZUVVRPLT-UHFFFAOYSA-N 2 2 258.325 0.950 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638121598 374689135 /nfs/dbraw/zinc/68/91/35/374689135.db2.gz HATNVNXLMYPYPQ-CQSZACIVSA-N 2 2 280.372 0.534 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC[C@H](C)C[NH3+])CC2 ZINC000638141370 374711463 /nfs/dbraw/zinc/71/14/63/374711463.db2.gz JDUWBBDYJQEHCB-KOLCDFICSA-N 2 2 250.346 0.465 20 0 CCADLP c1cn(CC[NH2+]Cc2cc3c(cn2)OCCO3)c[nH+]1 ZINC000638298469 374905352 /nfs/dbraw/zinc/90/53/52/374905352.db2.gz RKEVQAQTBVRPQN-UHFFFAOYSA-N 2 2 260.297 0.839 20 0 CCADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)N(C)CCCn2cc[nH+]c2)C1 ZINC000638301972 374906919 /nfs/dbraw/zinc/90/69/19/374906919.db2.gz RAMOGYKGHKRRKK-JSGCOSHPSA-N 2 2 280.372 0.499 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@]1(C)CC[NH2+]C1)CC2 ZINC000638438814 375040662 /nfs/dbraw/zinc/04/06/62/375040662.db2.gz DCPMBFVHPZYCJP-RISCZKNCSA-N 2 2 262.357 0.622 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C2=CC[C@H]([NH3+])C2)[C@@H](C)CO1 ZINC000638407360 375005667 /nfs/dbraw/zinc/00/56/67/375005667.db2.gz UTTOOXPKCXPEFU-LOWVWBTDSA-N 2 2 267.373 0.259 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2=CC[C@H]([NH3+])C2)[C@@H](C)CO1 ZINC000638407360 375005675 /nfs/dbraw/zinc/00/56/75/375005675.db2.gz UTTOOXPKCXPEFU-LOWVWBTDSA-N 2 2 267.373 0.259 20 0 CCADLP CC(C)(O)C[NH+]1CCC([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000638412063 375009031 /nfs/dbraw/zinc/00/90/31/375009031.db2.gz NDIOEEBZAVRVCE-HNNXBMFYSA-N 3 2 299.459 0.268 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638424999 375020351 /nfs/dbraw/zinc/02/03/51/375020351.db2.gz DCSVKOSMLOJGEP-LPEHRKFASA-N 2 2 252.318 0.196 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638424998 375020817 /nfs/dbraw/zinc/02/08/17/375020817.db2.gz DCSVKOSMLOJGEP-KXUCPTDWSA-N 2 2 252.318 0.196 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCC13CC(C1)C[NH2+]3)CC2 ZINC000638428072 375026166 /nfs/dbraw/zinc/02/61/66/375026166.db2.gz QFDBCIPERJRNGV-AVERBVTBSA-N 2 2 274.368 0.622 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCCc2cccc(C[NH3+])c21 ZINC000638543168 375133290 /nfs/dbraw/zinc/13/32/90/375133290.db2.gz SSMHFNIVWVJGJH-AWEZNQCLSA-N 3 2 290.411 0.704 20 0 CCADLP Cc1cc(NCCNC(=O)C(C)(C)[NH3+])nc(C(C)C)[nH+]1 ZINC000638584282 375164526 /nfs/dbraw/zinc/16/45/26/375164526.db2.gz SEXIIKPPODXTFX-UHFFFAOYSA-N 2 2 279.388 0.596 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000638537314 375124731 /nfs/dbraw/zinc/12/47/31/375124731.db2.gz YOVCANRQXYIWGV-GRYCIOLGSA-N 2 2 271.430 0.762 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@H]1COCC[N@@H+]1C)[C@H](C)[NH3+] ZINC000638612887 375196279 /nfs/dbraw/zinc/19/62/79/375196279.db2.gz YAENFFXFYCUUIL-SRVKXCTJSA-N 2 2 257.378 0.053 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@H]1COCC[N@H+]1C)[C@H](C)[NH3+] ZINC000638612887 375196284 /nfs/dbraw/zinc/19/62/84/375196284.db2.gz YAENFFXFYCUUIL-SRVKXCTJSA-N 2 2 257.378 0.053 20 0 CCADLP C[C@H](C[NH2+]CCCc1cnn(C)c1)C[NH+]1CCOCC1 ZINC000638674005 375277803 /nfs/dbraw/zinc/27/78/03/375277803.db2.gz BLQTZXQEQQMSKQ-CQSZACIVSA-N 2 2 280.416 0.911 20 0 CCADLP O=C(Cc1cn2ccccc2[nH+]1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638927773 375463483 /nfs/dbraw/zinc/46/34/83/375463483.db2.gz HLFGMKLSXFYVNU-JQWIXIFHSA-N 2 2 256.309 0.450 20 0 CCADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000638930357 375465601 /nfs/dbraw/zinc/46/56/01/375465601.db2.gz WFXVFRYRZZUQAL-ONGXEEELSA-N 2 2 275.343 0.912 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000638931830 375468476 /nfs/dbraw/zinc/46/84/76/375468476.db2.gz OYTZAUJJGMBCHL-GHMZBOCLSA-N 2 2 271.324 0.829 20 0 CCADLP O=C(Nc1cc(N2CC[NH2+]CC2)ccn1)[C@H]1CSC[NH2+]1 ZINC000638984791 375497746 /nfs/dbraw/zinc/49/77/46/375497746.db2.gz RTMODRMZHUMXRS-LLVKDONJSA-N 2 2 293.396 0.092 20 0 CCADLP O=C(C[NH2+]CC1CC1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987144 375499560 /nfs/dbraw/zinc/49/95/60/375499560.db2.gz MIUMBYCBGYOUTG-UHFFFAOYSA-N 3 2 289.383 0.429 20 0 CCADLP Cn1nccc1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638988050 375500054 /nfs/dbraw/zinc/50/00/54/375500054.db2.gz RJBHYPYNJGXIPE-UHFFFAOYSA-N 2 2 286.339 0.477 20 0 CCADLP Cn1ccc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)n1 ZINC000638985995 375500086 /nfs/dbraw/zinc/50/00/86/375500086.db2.gz REZDGCWFGDDJGI-UHFFFAOYSA-N 2 2 286.339 0.477 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cc(C3CC3)no2)C1 ZINC000639049337 375547237 /nfs/dbraw/zinc/54/72/37/375547237.db2.gz ODUQFBSAEMJZKJ-ZDUSSCGKSA-N 2 2 251.330 0.708 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cc(C3CC3)no2)C1 ZINC000639049337 375547242 /nfs/dbraw/zinc/54/72/42/375547242.db2.gz ODUQFBSAEMJZKJ-ZDUSSCGKSA-N 2 2 251.330 0.708 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]CC(C)(C)N1CCOCC1 ZINC000639051852 375550162 /nfs/dbraw/zinc/55/01/62/375550162.db2.gz AACMGHXFMFDQTQ-UHFFFAOYSA-N 2 2 273.421 0.001 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]CC(C)(C)N1CCOCC1 ZINC000639051852 375550170 /nfs/dbraw/zinc/55/01/70/375550170.db2.gz AACMGHXFMFDQTQ-UHFFFAOYSA-N 2 2 273.421 0.001 20 0 CCADLP CCC[N@H+](CC)C[C@@H](C)NCc1c[nH+]c(N)nc1N ZINC000639198949 375629021 /nfs/dbraw/zinc/62/90/21/375629021.db2.gz TUCAFWFTGHYTKZ-SNVBAGLBSA-N 2 2 266.393 0.512 20 0 CCADLP CCC[N@@H+](CC)C[C@@H](C)NCc1c[nH+]c(N)nc1N ZINC000639198949 375629025 /nfs/dbraw/zinc/62/90/25/375629025.db2.gz TUCAFWFTGHYTKZ-SNVBAGLBSA-N 2 2 266.393 0.512 20 0 CCADLP CC(C)[C@@H](NC(=O)C[C@@H]1C[NH2+]CCO1)c1[nH]cc[nH+]1 ZINC000574634540 335035399 /nfs/dbraw/zinc/03/53/99/335035399.db2.gz BSZFFUORDXMPJR-ZYHUDNBSSA-N 2 2 266.345 0.602 20 0 CCADLP CO[C@]1(C[NH2+][C@H]2CCC[N@H+](CCCO)C2)CCOC1 ZINC000639219562 375643623 /nfs/dbraw/zinc/64/36/23/375643623.db2.gz RVISVIAYBXBAAS-KBPBESRZSA-N 2 2 272.389 0.228 20 0 CCADLP CO[C@]1(C[NH2+][C@H]2CCC[N@@H+](CCCO)C2)CCOC1 ZINC000639219562 375643626 /nfs/dbraw/zinc/64/36/26/375643626.db2.gz RVISVIAYBXBAAS-KBPBESRZSA-N 2 2 272.389 0.228 20 0 CCADLP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CC[NH+](C2CC2)CC1 ZINC000263012128 284542914 /nfs/dbraw/zinc/54/29/14/284542914.db2.gz PUTKCXXMOMSMDN-SNVBAGLBSA-N 2 2 259.300 0.290 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000639475378 375795253 /nfs/dbraw/zinc/79/52/53/375795253.db2.gz VZWGAFCJWQBCJA-NSHDSACASA-N 2 2 250.346 0.693 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@H]1CC(N)=O ZINC000639475378 375795256 /nfs/dbraw/zinc/79/52/56/375795256.db2.gz VZWGAFCJWQBCJA-NSHDSACASA-N 2 2 250.346 0.693 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000639619023 375862931 /nfs/dbraw/zinc/86/29/31/375862931.db2.gz IYRPQVKMWNDLKY-UHFFFAOYSA-N 2 2 276.344 0.666 20 0 CCADLP O=S1(=O)CCC[C@@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000069137592 284550641 /nfs/dbraw/zinc/55/06/41/284550641.db2.gz DUQRISJLPOVRLA-GFCCVEGCSA-N 2 2 271.386 0.830 20 0 CCADLP COc1cc[nH+]c(CN2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000639763931 375992998 /nfs/dbraw/zinc/99/29/98/375992998.db2.gz UHPZTMNVYAWOMO-HNNXBMFYSA-N 2 2 279.384 0.979 20 0 CCADLP C[C@@H](C(=O)N1CCCCC1)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639768431 375999140 /nfs/dbraw/zinc/99/91/40/375999140.db2.gz YWTMEJOUPJZDCR-GOEBONIOSA-N 2 2 297.443 0.776 20 0 CCADLP C[C@@H](C(=O)N1CCCCC1)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639768431 375999144 /nfs/dbraw/zinc/99/91/44/375999144.db2.gz YWTMEJOUPJZDCR-GOEBONIOSA-N 2 2 297.443 0.776 20 0 CCADLP C[C@H](C(=O)N1CCCCC1)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639768429 375999942 /nfs/dbraw/zinc/99/99/42/375999942.db2.gz YWTMEJOUPJZDCR-GDBMZVCRSA-N 2 2 297.443 0.776 20 0 CCADLP C[C@H](C(=O)N1CCCCC1)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639768429 375999950 /nfs/dbraw/zinc/99/99/50/375999950.db2.gz YWTMEJOUPJZDCR-GDBMZVCRSA-N 2 2 297.443 0.776 20 0 CCADLP C[C@H](CN1CCOCC1)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762211 375987507 /nfs/dbraw/zinc/98/75/07/375987507.db2.gz HLYDJWWTTGEUOR-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H](CN1CCOCC1)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762211 375987512 /nfs/dbraw/zinc/98/75/12/375987512.db2.gz HLYDJWWTTGEUOR-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762211 375987519 /nfs/dbraw/zinc/98/75/19/375987519.db2.gz HLYDJWWTTGEUOR-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H](CN1CCOCC1)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762203 375987857 /nfs/dbraw/zinc/98/78/57/375987857.db2.gz HLYDJWWTTGEUOR-CABCVRRESA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H](CN1CCOCC1)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762203 375987862 /nfs/dbraw/zinc/98/78/62/375987862.db2.gz HLYDJWWTTGEUOR-CABCVRRESA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762203 375987868 /nfs/dbraw/zinc/98/78/68/375987868.db2.gz HLYDJWWTTGEUOR-CABCVRRESA-N 2 2 285.432 0.096 20 0 CCADLP CO[C@@H](C[N@H+](C)CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000640051500 376215474 /nfs/dbraw/zinc/21/54/74/376215474.db2.gz OJVCPRRBMSFWJT-ZDUSSCGKSA-N 2 2 269.389 0.117 20 0 CCADLP CO[C@@H](C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000640051500 376215480 /nfs/dbraw/zinc/21/54/80/376215480.db2.gz OJVCPRRBMSFWJT-ZDUSSCGKSA-N 2 2 269.389 0.117 20 0 CCADLP Cc1cc(C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)ccn1 ZINC000640064416 376224119 /nfs/dbraw/zinc/22/41/19/376224119.db2.gz VNDPYSMXDDJLOO-UHFFFAOYSA-N 2 2 276.384 0.596 20 0 CCADLP Cc1cc(C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)ccn1 ZINC000640064416 376224122 /nfs/dbraw/zinc/22/41/22/376224122.db2.gz VNDPYSMXDDJLOO-UHFFFAOYSA-N 2 2 276.384 0.596 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CC(C)(C)CO1 ZINC000640063538 376224412 /nfs/dbraw/zinc/22/44/12/376224412.db2.gz SVDOPJQYAVBEBJ-CYBMUJFWSA-N 2 2 283.416 0.507 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CC(C)(C)CO1 ZINC000640063538 376224419 /nfs/dbraw/zinc/22/44/19/376224419.db2.gz SVDOPJQYAVBEBJ-CYBMUJFWSA-N 2 2 283.416 0.507 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000640174865 376263355 /nfs/dbraw/zinc/26/33/55/376263355.db2.gz RLUHKWDYOULMME-UHFFFAOYSA-N 2 2 291.359 0.832 20 0 CCADLP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]([NH+]3CCOCC3)C2(C)C)CC1 ZINC000640509822 376408383 /nfs/dbraw/zinc/40/83/83/376408383.db2.gz BWKCPGQOLODGAY-STQMWFEESA-N 2 2 295.427 0.696 20 0 CCADLP Cn1cc[nH+]c1Cn1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000640952928 376637862 /nfs/dbraw/zinc/63/78/62/376637862.db2.gz KJFQEEQEEGOAJN-LLVKDONJSA-N 2 2 260.345 0.602 20 0 CCADLP COCC[NH2+]CCc1cn(Cc2cc(OC)cc[nH+]2)nn1 ZINC000641030607 376687249 /nfs/dbraw/zinc/68/72/49/376687249.db2.gz BWDKYHJIFYVVFV-UHFFFAOYSA-N 2 2 291.355 0.509 20 0 CCADLP CCc1[nH+]ccn1Cc1cn(Cc2c[nH]c[nH+]2)nn1 ZINC000641036259 376695711 /nfs/dbraw/zinc/69/57/11/376695711.db2.gz NEJGYUPSGYXKAN-UHFFFAOYSA-N 2 2 257.301 0.857 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)[NH+]1CC(C)C1 ZINC000574649108 335037296 /nfs/dbraw/zinc/03/72/96/335037296.db2.gz VBQIUTQAMAIVTK-ZIAGYGMSSA-N 2 2 297.443 0.630 20 0 CCADLP OC[C@H]1CCC[N@@H+]1Cc1cn(CCn2cc[nH+]c2)nn1 ZINC000641123472 376798913 /nfs/dbraw/zinc/79/89/13/376798913.db2.gz MBJCKGRRMMMYJP-CYBMUJFWSA-N 2 2 276.344 0.132 20 0 CCADLP OC[C@H]1CCC[N@H+]1Cc1cn(CCn2cc[nH+]c2)nn1 ZINC000641123472 376798918 /nfs/dbraw/zinc/79/89/18/376798918.db2.gz MBJCKGRRMMMYJP-CYBMUJFWSA-N 2 2 276.344 0.132 20 0 CCADLP Nc1[nH+]cccc1Cn1cc(CC[NH+]2CCOCC2)nn1 ZINC000641166194 376835088 /nfs/dbraw/zinc/83/50/88/376835088.db2.gz PIERSQCAQGGHQY-UHFFFAOYSA-N 2 2 288.355 0.178 20 0 CCADLP O=S(=O)(CCn1cc[nH+]c1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000641278267 376962217 /nfs/dbraw/zinc/96/22/17/376962217.db2.gz FATNFDLYCLSAJR-OLZOCXBDSA-N 2 2 298.412 0.429 20 0 CCADLP C[C@@H](CNc1cc[nH+]cc1F)N1CC[NH+](C)CC1 ZINC000641336262 377002127 /nfs/dbraw/zinc/00/21/27/377002127.db2.gz UNIYYHGNPKPCGJ-NSHDSACASA-N 2 2 252.337 0.690 20 0 CCADLP C[C@@H](CCNS(=O)(=O)CCn1cc[nH+]c1)[NH+](C)C ZINC000641605923 377307710 /nfs/dbraw/zinc/30/77/10/377307710.db2.gz MNHDRLJBEPPKNH-NSHDSACASA-N 2 2 274.390 0.143 20 0 CCADLP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641789013 377463833 /nfs/dbraw/zinc/46/38/33/377463833.db2.gz WZJNGNJJASDLPM-BZUAXINKSA-N 2 2 299.459 0.796 20 0 CCADLP CC[C@H](COC)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641787268 377464561 /nfs/dbraw/zinc/46/45/61/377464561.db2.gz OOOROGCBIAAENO-CVEARBPZSA-N 2 2 299.459 0.798 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)[C@H]1C ZINC000641804517 377475933 /nfs/dbraw/zinc/47/59/33/377475933.db2.gz CFKJRPBMFCPLLP-RQJABVFESA-N 3 2 267.417 0.955 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)[C@H]1C ZINC000641804517 377475940 /nfs/dbraw/zinc/47/59/40/377475940.db2.gz CFKJRPBMFCPLLP-RQJABVFESA-N 3 2 267.417 0.955 20 0 CCADLP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CCC[N@H+](C)C(C)C ZINC000422965913 249012309 /nfs/dbraw/zinc/01/23/09/249012309.db2.gz QCKJAWSMMFGUTP-OLZOCXBDSA-N 2 2 271.405 0.600 20 0 CCADLP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CCC[N@@H+](C)C(C)C ZINC000422965913 249012311 /nfs/dbraw/zinc/01/23/11/249012311.db2.gz QCKJAWSMMFGUTP-OLZOCXBDSA-N 2 2 271.405 0.600 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1NCCC[N@H+](C)C(C)C ZINC000422965913 249012313 /nfs/dbraw/zinc/01/23/13/249012313.db2.gz QCKJAWSMMFGUTP-OLZOCXBDSA-N 2 2 271.405 0.600 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1NCCC[N@@H+](C)C(C)C ZINC000422965913 249012317 /nfs/dbraw/zinc/01/23/17/249012317.db2.gz QCKJAWSMMFGUTP-OLZOCXBDSA-N 2 2 271.405 0.600 20 0 CCADLP Cc1cc(C)c(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c(=O)[nH]1 ZINC000641915612 377521283 /nfs/dbraw/zinc/52/12/83/377521283.db2.gz KFYPANRLAHSFRP-ZDUSSCGKSA-N 2 2 279.384 0.950 20 0 CCADLP C[NH+](C)CC(C)(C)[NH2+]CCC(=O)N1CCOCC1 ZINC000459536405 249040961 /nfs/dbraw/zinc/04/09/61/249040961.db2.gz LMMYCBIDWZJVAF-UHFFFAOYSA-N 2 2 257.378 0.165 20 0 CCADLP CN1CC[NH+](CCC(C)(C)NC(=O)Cn2cc[nH+]c2)CC1 ZINC000515267204 249124838 /nfs/dbraw/zinc/12/48/38/249124838.db2.gz DKWAPWKDCSFYCK-UHFFFAOYSA-N 2 2 293.415 0.415 20 0 CCADLP C[NH+]1CCN(CCC(C)(C)NC(=O)Cn2cc[nH+]c2)CC1 ZINC000515267204 249124841 /nfs/dbraw/zinc/12/48/41/249124841.db2.gz DKWAPWKDCSFYCK-UHFFFAOYSA-N 2 2 293.415 0.415 20 0 CCADLP C[C@H](CC(=O)N1CCO[C@H](C[NH3+])C1)n1cc[nH+]c1 ZINC000514611119 249093448 /nfs/dbraw/zinc/09/34/48/249093448.db2.gz AURVPONEAXAERE-GHMZBOCLSA-N 2 2 252.318 0.020 20 0 CCADLP COCC(C)(C)[NH+]1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000515416180 249134393 /nfs/dbraw/zinc/13/43/93/249134393.db2.gz OCLZVYYYJHCUDD-UHFFFAOYSA-N 2 2 280.372 0.452 20 0 CCADLP Cc1nc2n(n1)C[C@@H]([NH2+]Cc1c[nH+]c(C)n1C)CC2 ZINC000515673272 249142859 /nfs/dbraw/zinc/14/28/59/249142859.db2.gz SITMZHZOLHBJKS-NSHDSACASA-N 2 2 260.345 0.733 20 0 CCADLP CN(Cc1ccccc1)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000517034433 249200977 /nfs/dbraw/zinc/20/09/77/249200977.db2.gz ZWRGQIJPDMPLIX-AWEZNQCLSA-N 2 2 276.384 0.813 20 0 CCADLP CN(Cc1ccccc1)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000517034433 249200980 /nfs/dbraw/zinc/20/09/80/249200980.db2.gz ZWRGQIJPDMPLIX-AWEZNQCLSA-N 2 2 276.384 0.813 20 0 CCADLP C[C@@H]1CN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)[C@@H](C)C[NH2+]1 ZINC000643023153 377692466 /nfs/dbraw/zinc/69/24/66/377692466.db2.gz XKMNVJILMOUPLY-FRRDWIJNSA-N 2 2 291.399 0.624 20 0 CCADLP [NH3+][C@H]1CCCN(c2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000642986972 377680240 /nfs/dbraw/zinc/68/02/40/377680240.db2.gz WMQQFURKMVCJOV-NSHDSACASA-N 2 2 279.413 0.957 20 0 CCADLP CN(C[C@@H]1CCC[N@@H+]1C)c1nc[nH+]c2c1OCCN2 ZINC000643197883 377728411 /nfs/dbraw/zinc/72/84/11/377728411.db2.gz PYPQMTXTUGEEFU-JTQLQIEISA-N 2 2 263.345 0.811 20 0 CCADLP CN(C[C@@H]1CCC[N@H+]1C)c1nc[nH+]c2c1OCCN2 ZINC000643197883 377728414 /nfs/dbraw/zinc/72/84/14/377728414.db2.gz PYPQMTXTUGEEFU-JTQLQIEISA-N 2 2 263.345 0.811 20 0 CCADLP C[C@@H]1CN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)C[C@H]1[NH3+] ZINC000643050641 377707576 /nfs/dbraw/zinc/70/75/76/377707576.db2.gz DJIXAHJZAFJQSB-FRRDWIJNSA-N 2 2 291.399 0.611 20 0 CCADLP CCN(CC)C(=O)[C@H](C)[NH+]1CCC([NH2+]CCOC)CC1 ZINC000569583591 291690720 /nfs/dbraw/zinc/69/07/20/291690720.db2.gz UDSGCVMCJINGMV-ZDUSSCGKSA-N 2 2 285.432 0.944 20 0 CCADLP COC(=O)C[C@H]([NH3+])c1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000574691228 335040190 /nfs/dbraw/zinc/04/01/90/335040190.db2.gz SLWSKBCACHWYFR-JTQLQIEISA-N 2 2 276.296 0.758 20 0 CCADLP CN(C)C(=O)CCC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000569768417 291707396 /nfs/dbraw/zinc/70/73/96/291707396.db2.gz MRNDDVJKJCYWRA-UHFFFAOYSA-N 2 2 279.388 0.411 20 0 CCADLP O=C(COC1CC[NH2+]CC1)NCCNc1cccc[nH+]1 ZINC000570511957 291761350 /nfs/dbraw/zinc/76/13/50/291761350.db2.gz LLVCFDIIBXPDAE-UHFFFAOYSA-N 2 2 278.356 0.378 20 0 CCADLP CC(C)([NH3+])C[N@@H+]1CCC[C@H]1C(=O)N1CCSCC1 ZINC000334802761 207102266 /nfs/dbraw/zinc/10/22/66/207102266.db2.gz QEBLWSPSTBHETM-NSHDSACASA-N 2 2 271.430 0.764 20 0 CCADLP CC(C)([NH3+])C[N@H+]1CCC[C@H]1C(=O)N1CCSCC1 ZINC000334802761 207102269 /nfs/dbraw/zinc/10/22/69/207102269.db2.gz QEBLWSPSTBHETM-NSHDSACASA-N 2 2 271.430 0.764 20 0 CCADLP C[C@@H]1CN(C(=O)NCc2cn3ccccc3[nH+]2)CC[NH2+]1 ZINC000334910040 207277287 /nfs/dbraw/zinc/27/72/87/207277287.db2.gz UCYBWZVPOAHPCP-LLVKDONJSA-N 2 2 273.340 0.838 20 0 CCADLP CC(C)NC(=O)NCC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000574766329 335046078 /nfs/dbraw/zinc/04/60/78/335046078.db2.gz HJNIOMXYOLMSRA-LBPRGKRZSA-N 2 2 279.388 0.917 20 0 CCADLP CC(C)NC(=O)NCC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000574766329 335046079 /nfs/dbraw/zinc/04/60/79/335046079.db2.gz HJNIOMXYOLMSRA-LBPRGKRZSA-N 2 2 279.388 0.917 20 0 CCADLP [NH3+][C@H](C(=O)N1CCC[C@@H]([NH3+])C1)c1c(F)cccc1F ZINC000334955665 207352870 /nfs/dbraw/zinc/35/28/70/207352870.db2.gz OUORZXRXNQQCHG-PELKAZGASA-N 2 2 269.295 0.914 20 0 CCADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)C(C)(C)C[NH3+])CC1 ZINC000237604973 284973448 /nfs/dbraw/zinc/97/34/48/284973448.db2.gz IXNPARKXHMXBLL-UHFFFAOYSA-N 2 2 294.399 0.921 20 0 CCADLP C[NH2+][C@H](C)CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000423626203 532999221 /nfs/dbraw/zinc/99/92/21/532999221.db2.gz GVPYBLODQMBQNU-YPMHNXCESA-N 2 2 269.389 0.211 20 0 CCADLP C[NH2+][C@H](C)CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000423626203 532999225 /nfs/dbraw/zinc/99/92/25/532999225.db2.gz GVPYBLODQMBQNU-YPMHNXCESA-N 2 2 269.389 0.211 20 0 CCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000335242747 208008906 /nfs/dbraw/zinc/00/89/06/208008906.db2.gz UZANVXFFFSJAKL-JQWIXIFHSA-N 2 2 254.378 0.459 20 0 CCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000335242747 208008911 /nfs/dbraw/zinc/00/89/11/208008911.db2.gz UZANVXFFFSJAKL-JQWIXIFHSA-N 2 2 254.378 0.459 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)n1C ZINC000657359907 412971769 /nfs/dbraw/zinc/97/17/69/412971769.db2.gz RCYGQXHMOXJEIB-AWEZNQCLSA-N 3 2 291.443 0.987 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CC2(CS(C)(=O)=O)CC2)n1C ZINC000657387607 412977434 /nfs/dbraw/zinc/97/74/34/412977434.db2.gz RHSXCSKYOPRZSK-UHFFFAOYSA-N 2 2 271.386 0.643 20 0 CCADLP COCC[NH2+]CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000414888392 285081955 /nfs/dbraw/zinc/08/19/55/285081955.db2.gz RNTLZWYZTJXRFF-JHJVBQTASA-N 2 2 254.374 0.770 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)NCC(F)(F)C[NH3+] ZINC000418210523 533078469 /nfs/dbraw/zinc/07/84/69/533078469.db2.gz GZYLXNBFOOUNEX-UHFFFAOYSA-N 2 2 274.271 0.483 20 0 CCADLP Cn1ccnc1[C@@H]1C[NH2+]CCN1Cc1cc[nH+]c(N)c1 ZINC000572243684 291866231 /nfs/dbraw/zinc/86/62/31/291866231.db2.gz BYLILIGEKZPECZ-LBPRGKRZSA-N 2 2 272.356 0.374 20 0 CCADLP Cn1ncc(C2CCC2)c1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000657435192 412989220 /nfs/dbraw/zinc/98/92/20/412989220.db2.gz LEYXLHICTGAQCI-HNNXBMFYSA-N 2 2 278.400 0.844 20 0 CCADLP Cn1ncc(C2CCC2)c1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000657435192 412989226 /nfs/dbraw/zinc/98/92/26/412989226.db2.gz LEYXLHICTGAQCI-HNNXBMFYSA-N 2 2 278.400 0.844 20 0 CCADLP COCC[C@@H]1CCCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000372087679 285143857 /nfs/dbraw/zinc/14/38/57/285143857.db2.gz FLXYSQLRRJDQKP-HNNXBMFYSA-N 2 2 297.443 0.899 20 0 CCADLP COCC[C@@H]1CCCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000372087679 285143861 /nfs/dbraw/zinc/14/38/61/285143861.db2.gz FLXYSQLRRJDQKP-HNNXBMFYSA-N 2 2 297.443 0.899 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H](C)O)C2)CC1 ZINC000305168194 285169924 /nfs/dbraw/zinc/16/99/24/285169924.db2.gz IMPVBCRWRBRBSF-ZNMIVQPWSA-N 2 2 297.443 0.632 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H](C)O)C2)CC1 ZINC000305168194 285169931 /nfs/dbraw/zinc/16/99/31/285169931.db2.gz IMPVBCRWRBRBSF-ZNMIVQPWSA-N 2 2 297.443 0.632 20 0 CCADLP Cc1[nH+]c2c(n1C[C@H](O)C[NH+]1CCOCC1)CCCC2 ZINC000312149927 285174779 /nfs/dbraw/zinc/17/47/79/285174779.db2.gz IJWVYODHTSNVRC-CYBMUJFWSA-N 2 2 279.384 0.763 20 0 CCADLP C[C@@H](NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)[C@H](C)[NH3+] ZINC000418712896 533124409 /nfs/dbraw/zinc/12/44/09/533124409.db2.gz XKQPPJDLXVFQNB-XQQFMLRXSA-N 2 2 284.404 0.228 20 0 CCADLP COc1cc2c(cc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1)OCO2 ZINC000358173284 533160246 /nfs/dbraw/zinc/16/02/46/533160246.db2.gz VSBVBWOCPHIGBA-OAHLLOKOSA-N 2 2 294.351 0.580 20 0 CCADLP COc1cc2c(cc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1)OCO2 ZINC000358173284 533160254 /nfs/dbraw/zinc/16/02/54/533160254.db2.gz VSBVBWOCPHIGBA-OAHLLOKOSA-N 2 2 294.351 0.580 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000394817012 285218984 /nfs/dbraw/zinc/21/89/84/285218984.db2.gz AUDUPVSCGGPZLL-ZDUSSCGKSA-N 2 2 288.395 0.866 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)no1 ZINC000397242237 285235041 /nfs/dbraw/zinc/23/50/41/285235041.db2.gz MLOFHZYCEMLHLW-NHCYSSNCSA-N 2 2 280.372 0.649 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)no1 ZINC000397242237 285235043 /nfs/dbraw/zinc/23/50/43/285235043.db2.gz MLOFHZYCEMLHLW-NHCYSSNCSA-N 2 2 280.372 0.649 20 0 CCADLP C[N@H+](CCOc1ccc(S(C)(=O)=O)cc1)C1CC([NH3+])C1 ZINC000420328647 285242569 /nfs/dbraw/zinc/24/25/69/285242569.db2.gz IBNGUHAPPBFSLS-UHFFFAOYSA-N 2 2 298.408 0.890 20 0 CCADLP C[N@@H+](CCOc1ccc(S(C)(=O)=O)cc1)C1CC([NH3+])C1 ZINC000420328647 285242573 /nfs/dbraw/zinc/24/25/73/285242573.db2.gz IBNGUHAPPBFSLS-UHFFFAOYSA-N 2 2 298.408 0.890 20 0 CCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CC[C@@H](COC)OC)C1 ZINC000657552384 413022133 /nfs/dbraw/zinc/02/21/33/413022133.db2.gz CZHJXYVAOYTUSE-OLZOCXBDSA-N 2 2 260.378 0.348 20 0 CCADLP COCC[N@H+]1CC[C@@H]([NH2+]CC[C@@H](COC)OC)C1 ZINC000657552384 413022141 /nfs/dbraw/zinc/02/21/41/413022141.db2.gz CZHJXYVAOYTUSE-OLZOCXBDSA-N 2 2 260.378 0.348 20 0 CCADLP COC[C@]1(C(=O)NCc2ccc(N(C)C)[nH+]c2)CC[NH2+]C1 ZINC000574873329 335053823 /nfs/dbraw/zinc/05/38/23/335053823.db2.gz MRIGJOBBLBWJRL-HNNXBMFYSA-N 2 2 292.383 0.390 20 0 CCADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CC[C@@H](C)[NH3+])C1 ZINC000574874908 335054155 /nfs/dbraw/zinc/05/41/55/335054155.db2.gz VZJZADFFOKIULV-NEPJUHHUSA-N 2 2 285.388 0.115 20 0 CCADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)CC[C@@H](C)[NH3+])C1 ZINC000574874908 335054157 /nfs/dbraw/zinc/05/41/57/335054157.db2.gz VZJZADFFOKIULV-NEPJUHHUSA-N 2 2 285.388 0.115 20 0 CCADLP COc1ccc(F)cc1CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000575057880 335060174 /nfs/dbraw/zinc/06/01/74/335060174.db2.gz SWHQIPSAKNVDNR-CYBMUJFWSA-N 2 2 295.358 0.478 20 0 CCADLP COc1ccc(F)cc1CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000575057880 335060176 /nfs/dbraw/zinc/06/01/76/335060176.db2.gz SWHQIPSAKNVDNR-CYBMUJFWSA-N 2 2 295.358 0.478 20 0 CCADLP [NH3+]CCCC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000040858230 388858487 /nfs/dbraw/zinc/85/84/87/388858487.db2.gz ALGAWTOSOJPBAT-LBPRGKRZSA-N 2 2 297.424 0.977 20 0 CCADLP CC1CC[NH+](CC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)CC1 ZINC000187287653 388875163 /nfs/dbraw/zinc/87/51/63/388875163.db2.gz YIBVYZANSYIFCE-AWEZNQCLSA-N 2 2 283.416 0.243 20 0 CCADLP CC1CC[NH+](CC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)CC1 ZINC000187287653 388875164 /nfs/dbraw/zinc/87/51/64/388875164.db2.gz YIBVYZANSYIFCE-AWEZNQCLSA-N 2 2 283.416 0.243 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)c2coc(C[NH3+])c2)CCO1 ZINC000188142058 388915619 /nfs/dbraw/zinc/91/56/19/388915619.db2.gz BLWXZRLHMMREMJ-UHFFFAOYSA-N 2 2 281.356 0.579 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)c2coc(C[NH3+])c2)CCO1 ZINC000188142058 388915620 /nfs/dbraw/zinc/91/56/20/388915620.db2.gz BLWXZRLHMMREMJ-UHFFFAOYSA-N 2 2 281.356 0.579 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](CCO)[C@H](C)C1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000189619333 388966029 /nfs/dbraw/zinc/96/60/29/388966029.db2.gz CCCYBASLQGNKSK-XQLPTFJDSA-N 2 2 297.443 0.773 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000188724629 388939206 /nfs/dbraw/zinc/93/92/06/388939206.db2.gz QGUFDUPVAZVCCW-SNVBAGLBSA-N 2 2 297.321 0.006 20 0 CCADLP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000336794636 389019191 /nfs/dbraw/zinc/01/91/91/389019191.db2.gz DMGRFWCHGLGGNI-IJLUTSLNSA-N 2 2 257.378 0.027 20 0 CCADLP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000336794636 389019196 /nfs/dbraw/zinc/01/91/96/389019196.db2.gz DMGRFWCHGLGGNI-IJLUTSLNSA-N 2 2 257.378 0.027 20 0 CCADLP CN(C(=O)C[N@H+](C)C[C@H](O)C[NH3+])C1CCCCC1 ZINC000336794972 389020040 /nfs/dbraw/zinc/02/00/40/389020040.db2.gz GZONCEJBZWUGSK-GFCCVEGCSA-N 2 2 257.378 0.029 20 0 CCADLP CN(C(=O)C[N@@H+](C)C[C@H](O)C[NH3+])C1CCCCC1 ZINC000336794972 389020041 /nfs/dbraw/zinc/02/00/41/389020041.db2.gz GZONCEJBZWUGSK-GFCCVEGCSA-N 2 2 257.378 0.029 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000336842512 389026397 /nfs/dbraw/zinc/02/63/97/389026397.db2.gz UTKXUFLZECSKMK-TUAOUCFPSA-N 2 2 295.349 0.932 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000336842512 389026398 /nfs/dbraw/zinc/02/63/98/389026398.db2.gz UTKXUFLZECSKMK-TUAOUCFPSA-N 2 2 295.349 0.932 20 0 CCADLP CC(C)OC[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000337324278 389058745 /nfs/dbraw/zinc/05/87/45/389058745.db2.gz BAJIFGBSYJSYTM-OLZOCXBDSA-N 2 2 271.405 0.729 20 0 CCADLP CC(C)OC[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000337324278 389058748 /nfs/dbraw/zinc/05/87/48/389058748.db2.gz BAJIFGBSYJSYTM-OLZOCXBDSA-N 2 2 271.405 0.729 20 0 CCADLP CN(C)c1noc(C[N@H+](C)CCCN2CC[NH+](C)CC2)n1 ZINC000193001061 389059369 /nfs/dbraw/zinc/05/93/69/389059369.db2.gz PCYJYPXDZOOQDB-UHFFFAOYSA-N 2 2 296.419 0.205 20 0 CCADLP CN(C)c1noc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)n1 ZINC000193001061 389059371 /nfs/dbraw/zinc/05/93/71/389059371.db2.gz PCYJYPXDZOOQDB-UHFFFAOYSA-N 2 2 296.419 0.205 20 0 CCADLP C[C@@H](CNC(=O)NCCn1cc[nH+]c1)C[NH+]1CCCC1 ZINC000194296566 389092928 /nfs/dbraw/zinc/09/29/28/389092928.db2.gz CFDYAAFHWHOVOQ-ZDUSSCGKSA-N 2 2 279.388 0.914 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)C(C)(C)[NH+]1CCOCC1)C1CC1 ZINC000338160918 389081253 /nfs/dbraw/zinc/08/12/53/389081253.db2.gz ZLQXBLXPTUCDSJ-CYBMUJFWSA-N 2 2 283.416 0.554 20 0 CCADLP C[NH+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000338194098 389088538 /nfs/dbraw/zinc/08/85/38/389088538.db2.gz ZQJBJMOXVCZYGA-ZDUSSCGKSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)N(C)C)CCN1C1CC[NH+](C)CC1 ZINC000355030770 389037311 /nfs/dbraw/zinc/03/73/11/389037311.db2.gz LZKSYWJLUHVKII-ZDUSSCGKSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)N(C)C)CCN1C1CC[NH+](C)CC1 ZINC000355030770 389037315 /nfs/dbraw/zinc/03/73/15/389037315.db2.gz LZKSYWJLUHVKII-ZDUSSCGKSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358225342 389144974 /nfs/dbraw/zinc/14/49/74/389144974.db2.gz CPHIEVVIJZULEO-XBFCOCLRSA-N 2 2 253.390 0.125 20 0 CCADLP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358225342 389144976 /nfs/dbraw/zinc/14/49/76/389144976.db2.gz CPHIEVVIJZULEO-XBFCOCLRSA-N 2 2 253.390 0.125 20 0 CCADLP COC(=O)CNC(=O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000338256659 389099409 /nfs/dbraw/zinc/09/94/09/389099409.db2.gz YQQRRURZBOMDQU-UHFFFAOYSA-N 2 2 285.388 0.080 20 0 CCADLP COC(=O)CNC(=O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000338256659 389099410 /nfs/dbraw/zinc/09/94/10/389099410.db2.gz YQQRRURZBOMDQU-UHFFFAOYSA-N 2 2 285.388 0.080 20 0 CCADLP CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000311565784 389103424 /nfs/dbraw/zinc/10/34/24/389103424.db2.gz DPCUWXKQUKXNAM-STQMWFEESA-N 2 2 289.445 0.342 20 0 CCADLP CN(C)S(=O)(=O)CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000311565784 389103425 /nfs/dbraw/zinc/10/34/25/389103425.db2.gz DPCUWXKQUKXNAM-STQMWFEESA-N 2 2 289.445 0.342 20 0 CCADLP CC[NH+](CC)CCC[N@H+](C)CCNC(=O)N(C)C ZINC000338285947 389105995 /nfs/dbraw/zinc/10/59/95/389105995.db2.gz WUZWSWDWMWUCIU-UHFFFAOYSA-N 2 2 258.410 0.921 20 0 CCADLP CC[NH+](CC)CCC[N@@H+](C)CCNC(=O)N(C)C ZINC000338285947 389106000 /nfs/dbraw/zinc/10/60/00/389106000.db2.gz WUZWSWDWMWUCIU-UHFFFAOYSA-N 2 2 258.410 0.921 20 0 CCADLP C[C@@H]1CCC[C@H](NC(=O)C[N@H+](C)C[C@@H](O)C[NH3+])[C@H]1C ZINC000311911817 389106066 /nfs/dbraw/zinc/10/60/66/389106066.db2.gz RGHPFJDXDXILAT-VOAKCMCISA-N 2 2 271.405 0.179 20 0 CCADLP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])[C@H]1C ZINC000311911817 389106069 /nfs/dbraw/zinc/10/60/69/389106069.db2.gz RGHPFJDXDXILAT-VOAKCMCISA-N 2 2 271.405 0.179 20 0 CCADLP CCC(C)(C)NC(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313338302 389112307 /nfs/dbraw/zinc/11/23/07/389112307.db2.gz BCSJONIBSAEGSH-NSHDSACASA-N 2 2 257.378 0.341 20 0 CCADLP CCC(C)(C)NC(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313338302 389112308 /nfs/dbraw/zinc/11/23/08/389112308.db2.gz BCSJONIBSAEGSH-NSHDSACASA-N 2 2 257.378 0.341 20 0 CCADLP Cn1c[nH+]c(CC[NH2+]C[C@H](O)COc2ccccc2)c1 ZINC000313290250 389112659 /nfs/dbraw/zinc/11/26/59/389112659.db2.gz FLZVNLIPUBWMIZ-AWEZNQCLSA-N 2 2 275.352 0.992 20 0 CCADLP COCC[NH+]1CCC(Nc2[nH+]cnc3c2cnn3C)CC1 ZINC000194957707 389113275 /nfs/dbraw/zinc/11/32/75/389113275.db2.gz WUKRZMXWERRBLM-UHFFFAOYSA-N 2 2 290.371 0.886 20 0 CCADLP COc1ccc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])c(OC)c1 ZINC000226617130 389148591 /nfs/dbraw/zinc/14/85/91/389148591.db2.gz WJEWYRDINCOZPG-ZDUSSCGKSA-N 2 2 279.384 0.779 20 0 CCADLP COc1ccc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])c(OC)c1 ZINC000226617130 389148592 /nfs/dbraw/zinc/14/85/92/389148592.db2.gz WJEWYRDINCOZPG-ZDUSSCGKSA-N 2 2 279.384 0.779 20 0 CCADLP C[C@@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000356781872 389128753 /nfs/dbraw/zinc/12/87/53/389128753.db2.gz POALCOOGEWSELY-RDBSUJKOSA-N 2 2 281.400 0.402 20 0 CCADLP C[C@@H]1[C@@H]([NH+]2CCOCC2)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000356781872 389128755 /nfs/dbraw/zinc/12/87/55/389128755.db2.gz POALCOOGEWSELY-RDBSUJKOSA-N 2 2 281.400 0.402 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000222063573 389140771 /nfs/dbraw/zinc/14/07/71/389140771.db2.gz VDIVJHMZXKEWCY-SDDRHHMPSA-N 2 2 262.419 0.882 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000341610918 389190867 /nfs/dbraw/zinc/19/08/67/389190867.db2.gz MAMLOCYDRPXFBA-ZDUSSCGKSA-N 2 2 290.402 0.551 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000341610918 389190870 /nfs/dbraw/zinc/19/08/70/389190870.db2.gz MAMLOCYDRPXFBA-ZDUSSCGKSA-N 2 2 290.402 0.551 20 0 CCADLP C[C@@H]1C[C@@H](C)CN(C(=O)C[NH2+]CC2([NH3+])CCC2)C1 ZINC000342150146 389197822 /nfs/dbraw/zinc/19/78/22/389197822.db2.gz WYNJVWCHEIOWJH-VXGBXAGGSA-N 2 2 253.390 0.962 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000358530720 389154695 /nfs/dbraw/zinc/15/46/95/389154695.db2.gz SBNNVGMMDGSSMB-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP CC1(C)OCC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000340235132 389154901 /nfs/dbraw/zinc/15/49/01/389154901.db2.gz DCVYYICRMGTABL-NEPJUHHUSA-N 2 2 269.389 0.483 20 0 CCADLP CC1(C)OCC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000340235132 389154902 /nfs/dbraw/zinc/15/49/02/389154902.db2.gz DCVYYICRMGTABL-NEPJUHHUSA-N 2 2 269.389 0.483 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@]1(C)CCCC[NH2+]1)[NH+]1CCOCC1 ZINC000236689324 389170847 /nfs/dbraw/zinc/17/08/47/389170847.db2.gz MBQKROCTBXEVNA-ZBFHGGJFSA-N 2 2 297.443 0.992 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NCc2[nH+]cc(C)n2C)C1 ZINC000341003122 389178546 /nfs/dbraw/zinc/17/85/46/389178546.db2.gz GGLXXOKUJFBURC-GFCCVEGCSA-N 2 2 252.362 0.539 20 0 CCADLP COCC[N@H+]1CC[C@@H](NCc2[nH+]cc(C)n2C)C1 ZINC000341003122 389178549 /nfs/dbraw/zinc/17/85/49/389178549.db2.gz GGLXXOKUJFBURC-GFCCVEGCSA-N 2 2 252.362 0.539 20 0 CCADLP COCC[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000134110087 389242533 /nfs/dbraw/zinc/24/25/33/389242533.db2.gz FJESYTVWAONHBN-UHFFFAOYSA-N 2 2 265.361 0.311 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C[C@@H](O)C(F)(F)F ZINC000248398156 389245742 /nfs/dbraw/zinc/24/57/42/389245742.db2.gz SVQYPKRYRZWBLV-GFCCVEGCSA-N 2 2 297.365 0.867 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C[C@@H](O)C(F)(F)F ZINC000248398156 389245745 /nfs/dbraw/zinc/24/57/45/389245745.db2.gz SVQYPKRYRZWBLV-GFCCVEGCSA-N 2 2 297.365 0.867 20 0 CCADLP CN(CC[N@H+](C)C[C@@H](O)C(F)(F)F)C1CC[NH+](C)CC1 ZINC000248398156 389245748 /nfs/dbraw/zinc/24/57/48/389245748.db2.gz SVQYPKRYRZWBLV-GFCCVEGCSA-N 2 2 297.365 0.867 20 0 CCADLP CN(CC[N@@H+](C)C[C@@H](O)C(F)(F)F)C1CC[NH+](C)CC1 ZINC000248398156 389245751 /nfs/dbraw/zinc/24/57/51/389245751.db2.gz SVQYPKRYRZWBLV-GFCCVEGCSA-N 2 2 297.365 0.867 20 0 CCADLP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1nccn1C ZINC000330696382 389252486 /nfs/dbraw/zinc/25/24/86/389252486.db2.gz DQUSFUFAXUFDQC-GFCCVEGCSA-N 2 2 266.389 0.918 20 0 CCADLP CC[C@@H]1CN(CC[N@@H+]2CCOC[C@H]2C)CC[NH+]1C[C@H](C)O ZINC000249098393 389252868 /nfs/dbraw/zinc/25/28/68/389252868.db2.gz VUXKHYYBLSCDEM-OWCLPIDISA-N 2 2 299.459 0.484 20 0 CCADLP CC[C@@H]1CN(CC[N@H+]2CCOC[C@H]2C)CC[NH+]1C[C@H](C)O ZINC000249098393 389252872 /nfs/dbraw/zinc/25/28/72/389252872.db2.gz VUXKHYYBLSCDEM-OWCLPIDISA-N 2 2 299.459 0.484 20 0 CCADLP CC[C@@H]1CN(CC[NH+]2CCOC[C@H]2C)CC[N@@H+]1C[C@H](C)O ZINC000249098393 389252874 /nfs/dbraw/zinc/25/28/74/389252874.db2.gz VUXKHYYBLSCDEM-OWCLPIDISA-N 2 2 299.459 0.484 20 0 CCADLP CC[C@@H]1CN(CC[NH+]2CCOC[C@H]2C)CC[N@H+]1C[C@H](C)O ZINC000249098393 389252878 /nfs/dbraw/zinc/25/28/78/389252878.db2.gz VUXKHYYBLSCDEM-OWCLPIDISA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C ZINC000342813631 389253934 /nfs/dbraw/zinc/25/39/34/389253934.db2.gz SMGHPSYICURUFN-FVCCEPFGSA-N 2 2 258.406 0.684 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C ZINC000342813631 389253936 /nfs/dbraw/zinc/25/39/36/389253936.db2.gz SMGHPSYICURUFN-FVCCEPFGSA-N 2 2 258.406 0.684 20 0 CCADLP CC(C)N1CCC[C@@H]([N@H+](C)C2CC[NH+](CCO)CC2)C1=O ZINC000361399809 389215096 /nfs/dbraw/zinc/21/50/96/389215096.db2.gz JGPNJUPCGJIOMG-OAHLLOKOSA-N 2 2 297.443 0.774 20 0 CCADLP CC(C)N1CCC[C@@H]([N@@H+](C)C2CC[NH+](CCO)CC2)C1=O ZINC000361399809 389215098 /nfs/dbraw/zinc/21/50/98/389215098.db2.gz JGPNJUPCGJIOMG-OAHLLOKOSA-N 2 2 297.443 0.774 20 0 CCADLP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000131992250 389220514 /nfs/dbraw/zinc/22/05/14/389220514.db2.gz FHAVBHJTOHMCQQ-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000343401839 389265836 /nfs/dbraw/zinc/26/58/36/389265836.db2.gz MEAOWNPRLYWSAV-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000343401839 389265838 /nfs/dbraw/zinc/26/58/38/389265838.db2.gz MEAOWNPRLYWSAV-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP COCC[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CC[C@@H](C)C1 ZINC000362169917 389231310 /nfs/dbraw/zinc/23/13/10/389231310.db2.gz LXZIJEGKSUSKTC-HUUCEWRRSA-N 2 2 297.443 0.897 20 0 CCADLP CCNC(=O)CC[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000362705732 389239898 /nfs/dbraw/zinc/23/98/98/389239898.db2.gz ZAOTVKQBKRJODJ-HUUCEWRRSA-N 2 2 296.459 0.470 20 0 CCADLP CCNC(=O)CC[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000362705732 389239901 /nfs/dbraw/zinc/23/99/01/389239901.db2.gz ZAOTVKQBKRJODJ-HUUCEWRRSA-N 2 2 296.459 0.470 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000264292888 389318629 /nfs/dbraw/zinc/31/86/29/389318629.db2.gz LZPLHUHTGGCKQU-NSHDSACASA-N 2 2 265.361 0.656 20 0 CCADLP C[C@@H](CNC(=O)NCc1[nH+]ccn1C)[N@H+](C)C1CC1 ZINC000264308714 389319911 /nfs/dbraw/zinc/31/99/11/389319911.db2.gz PVIQWJAYTDNVOC-JTQLQIEISA-N 2 2 265.361 0.702 20 0 CCADLP C[C@@H](CNC(=O)NCc1[nH+]ccn1C)[N@@H+](C)C1CC1 ZINC000264308714 389319913 /nfs/dbraw/zinc/31/99/13/389319913.db2.gz PVIQWJAYTDNVOC-JTQLQIEISA-N 2 2 265.361 0.702 20 0 CCADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000346182850 389323784 /nfs/dbraw/zinc/32/37/84/389323784.db2.gz JQHFOTBMOMZSHP-MCIONIFRSA-N 2 2 281.400 0.402 20 0 CCADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000346182850 389323786 /nfs/dbraw/zinc/32/37/86/389323786.db2.gz JQHFOTBMOMZSHP-MCIONIFRSA-N 2 2 281.400 0.402 20 0 CCADLP C[C@H](NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1[nH]cc[nH+]1 ZINC000367584293 389334335 /nfs/dbraw/zinc/33/43/35/389334335.db2.gz AJNYECLPFPHZCF-TUAOUCFPSA-N 2 2 250.346 0.924 20 0 CCADLP C[C@H](NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1[nH]cc[nH+]1 ZINC000367584293 389334338 /nfs/dbraw/zinc/33/43/38/389334338.db2.gz AJNYECLPFPHZCF-TUAOUCFPSA-N 2 2 250.346 0.924 20 0 CCADLP COCCCNC(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000158075011 389335140 /nfs/dbraw/zinc/33/51/40/389335140.db2.gz QFSXAZLLZSVHQC-CYBMUJFWSA-N 2 2 271.405 0.413 20 0 CCADLP COCCCNC(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000158075011 389335143 /nfs/dbraw/zinc/33/51/43/389335143.db2.gz QFSXAZLLZSVHQC-CYBMUJFWSA-N 2 2 271.405 0.413 20 0 CCADLP COCCCNC(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000158075011 389335145 /nfs/dbraw/zinc/33/51/45/389335145.db2.gz QFSXAZLLZSVHQC-CYBMUJFWSA-N 2 2 271.405 0.413 20 0 CCADLP COCCCNC(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000158075011 389335146 /nfs/dbraw/zinc/33/51/46/389335146.db2.gz QFSXAZLLZSVHQC-CYBMUJFWSA-N 2 2 271.405 0.413 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@](C)(O)C3CC3)C2)CC1 ZINC000367639556 389339044 /nfs/dbraw/zinc/33/90/44/389339044.db2.gz WOHXGXSTVFSXML-XJKSGUPXSA-N 2 2 295.427 0.432 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@](C)(O)C3CC3)C2)CC1 ZINC000367639556 389339048 /nfs/dbraw/zinc/33/90/48/389339048.db2.gz WOHXGXSTVFSXML-XJKSGUPXSA-N 2 2 295.427 0.432 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1NCC1([NH+](C)C)CCOCC1 ZINC000344447590 389281406 /nfs/dbraw/zinc/28/14/06/389281406.db2.gz LWTFBJIMBKRYIY-QWHCGFSZSA-N 2 2 255.406 0.637 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1NCC1([NH+](C)C)CCOCC1 ZINC000344447590 389281408 /nfs/dbraw/zinc/28/14/08/389281408.db2.gz LWTFBJIMBKRYIY-QWHCGFSZSA-N 2 2 255.406 0.637 20 0 CCADLP C[C@H]1CN(C)C[C@H]1[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000344447590 389281410 /nfs/dbraw/zinc/28/14/10/389281410.db2.gz LWTFBJIMBKRYIY-QWHCGFSZSA-N 2 2 255.406 0.637 20 0 CCADLP Cn1cc[nH+]c1CN1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000153037373 389295740 /nfs/dbraw/zinc/29/57/40/389295740.db2.gz QFOSDHQWZMTMOG-UHFFFAOYSA-N 2 2 294.399 0.079 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)[C@H]3CSC[NH2+]3)cn2c1 ZINC000269250032 389411031 /nfs/dbraw/zinc/41/10/31/389411031.db2.gz OLKIXVQSIXNTOL-LLVKDONJSA-N 2 2 276.365 0.921 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000332663110 389356377 /nfs/dbraw/zinc/35/63/77/389356377.db2.gz DOLSRRMOMJXXKF-HZSPNIEDSA-N 2 2 298.431 0.474 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000332663110 389356380 /nfs/dbraw/zinc/35/63/80/389356380.db2.gz DOLSRRMOMJXXKF-HZSPNIEDSA-N 2 2 298.431 0.474 20 0 CCADLP [NH3+]CC1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000422731666 389461292 /nfs/dbraw/zinc/46/12/92/389461292.db2.gz NYCMLHVYCBWZGT-HNNXBMFYSA-N 2 2 295.427 0.685 20 0 CCADLP [NH3+]CC1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000422731666 389461293 /nfs/dbraw/zinc/46/12/93/389461293.db2.gz NYCMLHVYCBWZGT-HNNXBMFYSA-N 2 2 295.427 0.685 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000422740139 389463514 /nfs/dbraw/zinc/46/35/14/389463514.db2.gz MMPLSVGWDHKDNU-MCIONIFRSA-N 3 2 282.432 0.161 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000422740139 389463518 /nfs/dbraw/zinc/46/35/18/389463518.db2.gz MMPLSVGWDHKDNU-MCIONIFRSA-N 3 2 282.432 0.161 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCC[NH+](C(C)C)C(C)C ZINC000422761674 389469103 /nfs/dbraw/zinc/46/91/03/389469103.db2.gz RKRPPWPSXVOJTQ-ZIAGYGMSSA-N 2 2 285.432 0.988 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000422777521 389472553 /nfs/dbraw/zinc/47/25/53/389472553.db2.gz FQJUDEGDEVKCCT-IPYPFGDCSA-N 2 2 277.416 0.977 20 0 CCADLP C(C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)C[NH+]1CCCC1 ZINC000422787723 389475925 /nfs/dbraw/zinc/47/59/25/389475925.db2.gz QGBAVSJMQNKYLZ-HUUCEWRRSA-N 3 2 267.417 0.829 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@](C)(F)C2)CC1 ZINC000334372994 389477079 /nfs/dbraw/zinc/47/70/79/389477079.db2.gz ZHJFWPPKNKAMKJ-TZMCWYRMSA-N 2 2 271.380 0.973 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@](C)(F)C2)CC1 ZINC000334372994 389477088 /nfs/dbraw/zinc/47/70/88/389477088.db2.gz ZHJFWPPKNKAMKJ-TZMCWYRMSA-N 2 2 271.380 0.973 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000422823685 389482483 /nfs/dbraw/zinc/48/24/83/389482483.db2.gz DWEBSFOXCVUKAS-OCCSQVGLSA-N 2 2 283.416 0.602 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000422823685 389482489 /nfs/dbraw/zinc/48/24/89/389482489.db2.gz DWEBSFOXCVUKAS-OCCSQVGLSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@H]1CN(c2cc(NC3CC3)[nH+]cn2)CC[N@@H+]1CCO ZINC000413250514 389484974 /nfs/dbraw/zinc/48/49/74/389484974.db2.gz OGLCSYZJSIZDBZ-LLVKDONJSA-N 2 2 277.372 0.554 20 0 CCADLP C[C@@H]1CN(c2cc(NC3CC3)[nH+]cn2)CC[N@H+]1CCO ZINC000413250514 389484979 /nfs/dbraw/zinc/48/49/79/389484979.db2.gz OGLCSYZJSIZDBZ-LLVKDONJSA-N 2 2 277.372 0.554 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC[NH2+]1 ZINC000422836635 389487657 /nfs/dbraw/zinc/48/76/57/389487657.db2.gz KPYXXSBSHPNAMG-TZMCWYRMSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC[NH2+]1 ZINC000422836635 389487661 /nfs/dbraw/zinc/48/76/61/389487661.db2.gz KPYXXSBSHPNAMG-TZMCWYRMSA-N 2 2 281.400 0.308 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000422846886 389490471 /nfs/dbraw/zinc/49/04/71/389490471.db2.gz QPJURLSSZBAUGO-STQMWFEESA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000422846886 389490474 /nfs/dbraw/zinc/49/04/74/389490474.db2.gz QPJURLSSZBAUGO-STQMWFEESA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)C(=O)N1CCOCC1 ZINC000422848008 389490767 /nfs/dbraw/zinc/49/07/67/389490767.db2.gz JCTKORVPVKSDKZ-MGPQQGTHSA-N 2 2 283.416 0.600 20 0 CCADLP CC(C)[C@@H](C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)[NH+](C)C ZINC000349696871 389421635 /nfs/dbraw/zinc/42/16/35/389421635.db2.gz WBPAWTBBBCBBAL-AWEZNQCLSA-N 2 2 293.415 0.640 20 0 CCADLP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422850706 389491851 /nfs/dbraw/zinc/49/18/51/389491851.db2.gz DITWGKKOZGETII-OAGGEKHMSA-N 3 2 299.459 0.700 20 0 CCADLP CC(C)NC(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371300727 389430702 /nfs/dbraw/zinc/43/07/02/389430702.db2.gz QIOUHQMAPQEHJQ-BFHYXJOUSA-N 2 2 283.416 0.695 20 0 CCADLP CC(C)NC(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371300727 389430703 /nfs/dbraw/zinc/43/07/03/389430703.db2.gz QIOUHQMAPQEHJQ-BFHYXJOUSA-N 2 2 283.416 0.695 20 0 CCADLP CC(C)N1CCC[C@H]([N@@H+]2CCCO[C@@H](C[NH3+])C2)C1=O ZINC000333635307 389437560 /nfs/dbraw/zinc/43/75/60/389437560.db2.gz BJHWWOXLVJLMTQ-STQMWFEESA-N 2 2 269.389 0.435 20 0 CCADLP CC(C)N1CCC[C@H]([N@H+]2CCCO[C@@H](C[NH3+])C2)C1=O ZINC000333635307 389437564 /nfs/dbraw/zinc/43/75/64/389437564.db2.gz BJHWWOXLVJLMTQ-STQMWFEESA-N 2 2 269.389 0.435 20 0 CCADLP CC(C)(C[NH3+])C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000165259081 389439091 /nfs/dbraw/zinc/43/90/91/389439091.db2.gz GSQIFVUVTBPFAG-UHFFFAOYSA-N 2 2 264.373 0.863 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000422701750 389453623 /nfs/dbraw/zinc/45/36/23/389453623.db2.gz CLNQVAUFPRNXLS-NEPJUHHUSA-N 2 2 255.362 0.047 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000422701750 389453625 /nfs/dbraw/zinc/45/36/25/389453625.db2.gz CLNQVAUFPRNXLS-NEPJUHHUSA-N 2 2 255.362 0.047 20 0 CCADLP CCN(CCC[NH+](C)C)C(=O)[C@H]1COCC[N@@H+]1CC ZINC000372726631 389456059 /nfs/dbraw/zinc/45/60/59/389456059.db2.gz NLWVZRPZDPXLDN-CYBMUJFWSA-N 2 2 271.405 0.507 20 0 CCADLP CCN(CCC[NH+](C)C)C(=O)[C@H]1COCC[N@H+]1CC ZINC000372726631 389456064 /nfs/dbraw/zinc/45/60/64/389456064.db2.gz NLWVZRPZDPXLDN-CYBMUJFWSA-N 2 2 271.405 0.507 20 0 CCADLP C[C@@H]1COCCN1CC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422710416 389456317 /nfs/dbraw/zinc/45/63/17/389456317.db2.gz FPQOACBMIFYCPJ-VHDGCEQUSA-N 2 2 283.416 0.064 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCN1CCOC[C@H]1C ZINC000422712228 389457852 /nfs/dbraw/zinc/45/78/52/389457852.db2.gz IAUOELWOXWDNPU-MCIONIFRSA-N 2 2 271.405 0.064 20 0 CCADLP Cc1[nH+]ccn1CCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422713786 389457942 /nfs/dbraw/zinc/45/79/42/389457942.db2.gz HXMKQZSJSNGVHB-HUUCEWRRSA-N 3 2 278.400 0.938 20 0 CCADLP C[C@H]([NH2+]CCN1CCOCC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000422717614 389458823 /nfs/dbraw/zinc/45/88/23/389458823.db2.gz VSKDFJBEBYMLFW-STQMWFEESA-N 2 2 255.406 0.827 20 0 CCADLP C[C@H](NCC[N@@H+]1CCOCC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000422717614 389458828 /nfs/dbraw/zinc/45/88/28/389458828.db2.gz VSKDFJBEBYMLFW-STQMWFEESA-N 2 2 255.406 0.827 20 0 CCADLP C[C@H](NCC[N@H+]1CCOCC1(C)C)[C@@H]1CCC[NH2+]1 ZINC000422717614 389458833 /nfs/dbraw/zinc/45/88/33/389458833.db2.gz VSKDFJBEBYMLFW-STQMWFEESA-N 2 2 255.406 0.827 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)[C@@H]1CCC[NH2+]1 ZINC000422918349 389506061 /nfs/dbraw/zinc/50/60/61/389506061.db2.gz HCTOJCCKQSKMFW-KVSVUVNWSA-N 2 2 251.374 0.726 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000422968429 389511256 /nfs/dbraw/zinc/51/12/56/389511256.db2.gz WWAVQJXUYJUTEG-RBSFLKMASA-N 2 2 297.443 0.990 20 0 CCADLP CC(C)[C@@H](C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000422968960 389511418 /nfs/dbraw/zinc/51/14/18/389511418.db2.gz YFGUVVJAWQMMPL-HRCADAONSA-N 3 2 282.476 0.989 20 0 CCADLP C[C@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)[C@@H]1CCCC[NH2+]1 ZINC000423023035 389524150 /nfs/dbraw/zinc/52/41/50/389524150.db2.gz GOVDDWAVNUYVBR-QEJZJMRPSA-N 2 2 267.417 0.970 20 0 CCADLP CC(C)C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C(=O)NCC[NH+](C)C ZINC000423028461 389525034 /nfs/dbraw/zinc/52/50/34/389525034.db2.gz QTGWASCOQJRLLI-KKUMJFAQSA-N 3 2 298.475 0.809 20 0 CCADLP c1cn(CC[NH+]2CCN(c3cncc4ncnn43)CC2)c[nH+]1 ZINC000276683585 389528379 /nfs/dbraw/zinc/52/83/79/389528379.db2.gz ZWRZEUHATMIRGH-UHFFFAOYSA-N 2 2 298.354 0.143 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1NCC[N@@H+]1CCCC(C)(C)C1 ZINC000423068910 389528810 /nfs/dbraw/zinc/52/88/10/389528810.db2.gz AEXAWKDZZUNMTA-KGLIPLIRSA-N 2 2 297.443 0.992 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1NCC[N@H+]1CCCC(C)(C)C1 ZINC000423068910 389528813 /nfs/dbraw/zinc/52/88/13/389528813.db2.gz AEXAWKDZZUNMTA-KGLIPLIRSA-N 2 2 297.443 0.992 20 0 CCADLP CCOC1CC(O)(C[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)C1 ZINC000423091552 389533165 /nfs/dbraw/zinc/53/31/65/389533165.db2.gz XNJWYQBZWUONIQ-IWMBGFJWSA-N 2 2 272.389 0.273 20 0 CCADLP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@H]1CCC[NH2+]1 ZINC000423093725 389534158 /nfs/dbraw/zinc/53/41/58/389534158.db2.gz AERWDTBNDPNJNU-ZIAGYGMSSA-N 3 2 268.449 0.743 20 0 CCADLP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@H]1CCC[NH2+]1 ZINC000423093725 389534160 /nfs/dbraw/zinc/53/41/60/389534160.db2.gz AERWDTBNDPNJNU-ZIAGYGMSSA-N 3 2 268.449 0.743 20 0 CCADLP C[C@H]([NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000423109703 389536420 /nfs/dbraw/zinc/53/64/20/389536420.db2.gz SXOOMVUTJKVJDF-QNWHQSFQSA-N 2 2 258.406 0.875 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](CO)CC1CCC1 ZINC000423127782 389539017 /nfs/dbraw/zinc/53/90/17/389539017.db2.gz KATKJBBXGVKGEZ-XBFCOCLRSA-N 2 2 256.390 0.894 20 0 CCADLP C[C@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CCCC[NH2+]1 ZINC000423147709 389544582 /nfs/dbraw/zinc/54/45/82/389544582.db2.gz DBNBCZOMZTUGMV-XQLPTFJDSA-N 2 2 267.417 0.970 20 0 CCADLP C[C@H](NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CCCC[NH2+]1 ZINC000423147709 389544585 /nfs/dbraw/zinc/54/45/85/389544585.db2.gz DBNBCZOMZTUGMV-XQLPTFJDSA-N 2 2 267.417 0.970 20 0 CCADLP C[C@H](NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CCCC[NH2+]1 ZINC000423147709 389544591 /nfs/dbraw/zinc/54/45/91/389544591.db2.gz DBNBCZOMZTUGMV-XQLPTFJDSA-N 2 2 267.417 0.970 20 0 CCADLP CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423159735 389546951 /nfs/dbraw/zinc/54/69/51/389546951.db2.gz PZGMBOUNTNETRJ-GARJFASQSA-N 2 2 263.407 0.044 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423159733 389547088 /nfs/dbraw/zinc/54/70/88/389547088.db2.gz PZGMBOUNTNETRJ-AXFHLTTASA-N 2 2 263.407 0.044 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)[NH+](C)C ZINC000350899346 389553221 /nfs/dbraw/zinc/55/32/21/389553221.db2.gz XZXNLXMHVYRRGV-JSGCOSHPSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1)[NH+](C)C ZINC000350899346 389553225 /nfs/dbraw/zinc/55/32/25/389553225.db2.gz XZXNLXMHVYRRGV-JSGCOSHPSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H](CC(=O)N(C)C)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423239671 389555475 /nfs/dbraw/zinc/55/54/75/389555475.db2.gz WGSSXBJTDFPJPT-GFCCVEGCSA-N 2 2 291.399 0.770 20 0 CCADLP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000423266622 389558398 /nfs/dbraw/zinc/55/83/98/389558398.db2.gz DPIRVFMZZUVWNX-MFKMUULPSA-N 2 2 285.413 0.968 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCO[C@H](C(C)C)C2)CC1 ZINC000351093660 389563972 /nfs/dbraw/zinc/56/39/72/389563972.db2.gz BKERKUAVWAVWQZ-CABCVRRESA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCO[C@H](C(C)C)C2)CC1 ZINC000351093660 389563973 /nfs/dbraw/zinc/56/39/73/389563973.db2.gz BKERKUAVWAVWQZ-CABCVRRESA-N 2 2 297.443 0.896 20 0 CCADLP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000423321526 389564701 /nfs/dbraw/zinc/56/47/01/389564701.db2.gz GHVKJHSDJFKMIY-QWRGUYRKSA-N 2 2 299.396 0.357 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1C[C@H](C)CC[NH2+]1)[NH+]1CCOCC1 ZINC000423323430 389565339 /nfs/dbraw/zinc/56/53/39/389565339.db2.gz JKUCYRIWPLIYQP-FRRDWIJNSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)[NH+]1CCOCC1 ZINC000423323432 389565867 /nfs/dbraw/zinc/56/58/67/389565867.db2.gz JKUCYRIWPLIYQP-UPJWGTAASA-N 2 2 269.389 0.211 20 0 CCADLP CC1(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC[NH2+]CC1 ZINC000423323534 389565934 /nfs/dbraw/zinc/56/59/34/389565934.db2.gz IADHNJABOHEETP-ZIAGYGMSSA-N 3 2 267.417 0.733 20 0 CCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCOCC3)cn2)CC1 ZINC000374296273 389566098 /nfs/dbraw/zinc/56/60/98/389566098.db2.gz OUUHCYQXQFPPSI-UHFFFAOYSA-N 2 2 291.399 0.451 20 0 CCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCCOCC3)cn2)CC1 ZINC000374296273 389566100 /nfs/dbraw/zinc/56/61/00/389566100.db2.gz OUUHCYQXQFPPSI-UHFFFAOYSA-N 2 2 291.399 0.451 20 0 CCADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)c1 ZINC000423330127 389566884 /nfs/dbraw/zinc/56/68/84/389566884.db2.gz TYBZXQALFOFNIB-YGRLFVJLSA-N 2 2 297.424 0.983 20 0 CCADLP C[C@@H]([NH2+]Cc1ccc(C(N)=O)nc1)[C@@H]1CCCC[NH2+]1 ZINC000422868659 389496159 /nfs/dbraw/zinc/49/61/59/389496159.db2.gz VHCIYRLATRRXBJ-PWSUYJOCSA-N 2 2 262.357 0.801 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@H](C)[NH+]1CCOCC1)[C@@H](C)[NH3+] ZINC000423335682 389568075 /nfs/dbraw/zinc/56/80/75/389568075.db2.gz UCKOZRRYDVTFHL-XQQFMLRXSA-N 2 2 271.405 0.443 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@H]([NH3+])C(C)(C)C)C[C@H](C)O1 ZINC000423755727 389608841 /nfs/dbraw/zinc/60/88/41/389608841.db2.gz AABWNCLDLTZLSZ-FRRDWIJNSA-N 2 2 285.432 0.927 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1cccc2c1OCCCO2 ZINC000414959358 389647820 /nfs/dbraw/zinc/64/78/20/389647820.db2.gz FEMNKCOYUJWTDD-CQSZACIVSA-N 2 2 291.395 0.841 20 0 CCADLP C[C@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](CCC[NH3+])CC2)C1 ZINC000414684918 389627605 /nfs/dbraw/zinc/62/76/05/389627605.db2.gz XKPYWNXUSZYILD-GJZGRUSLSA-N 2 2 296.459 0.457 20 0 CCADLP C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(CCC[NH3+])CC2)C1 ZINC000414684918 389627607 /nfs/dbraw/zinc/62/76/07/389627607.db2.gz XKPYWNXUSZYILD-GJZGRUSLSA-N 2 2 296.459 0.457 20 0 CCADLP COCCn1cc(C[NH2+][C@H]2CCC[NH2+][C@H]2C)cn1 ZINC000414955960 389647906 /nfs/dbraw/zinc/64/79/06/389647906.db2.gz PDQRNDMWINRNBP-AAEUAGOBSA-N 2 2 252.362 0.760 20 0 CCADLP [NH3+]CCC[N@@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000414703524 389629598 /nfs/dbraw/zinc/62/95/98/389629598.db2.gz CIXUVXSYRQJSAQ-CYBMUJFWSA-N 2 2 289.445 0.662 20 0 CCADLP [NH3+]CCC[N@H+]1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000414703524 389629602 /nfs/dbraw/zinc/62/96/02/389629602.db2.gz CIXUVXSYRQJSAQ-CYBMUJFWSA-N 2 2 289.445 0.662 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCSC[C@H]2C2CC2)CC1 ZINC000336307487 389631325 /nfs/dbraw/zinc/63/13/25/389631325.db2.gz KHHYDOWWDUMYMA-ZDUSSCGKSA-N 2 2 283.441 0.588 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCSC[C@H]2C2CC2)CC1 ZINC000336307487 389631329 /nfs/dbraw/zinc/63/13/29/389631329.db2.gz KHHYDOWWDUMYMA-ZDUSSCGKSA-N 2 2 283.441 0.588 20 0 CCADLP Cc1c[nH]nc1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000414717738 389631930 /nfs/dbraw/zinc/63/19/30/389631930.db2.gz UVFZPYOQBOSFCI-GFCCVEGCSA-N 2 2 277.372 0.114 20 0 CCADLP Cc1c[nH]nc1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000414717738 389631934 /nfs/dbraw/zinc/63/19/34/389631934.db2.gz UVFZPYOQBOSFCI-GFCCVEGCSA-N 2 2 277.372 0.114 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000414767128 389636539 /nfs/dbraw/zinc/63/65/39/389636539.db2.gz SEKWIFFDWATANL-KGLIPLIRSA-N 3 2 284.448 0.679 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000414767128 389636543 /nfs/dbraw/zinc/63/65/43/389636543.db2.gz SEKWIFFDWATANL-KGLIPLIRSA-N 3 2 284.448 0.679 20 0 CCADLP COC(=O)CCn1nc(C)c(C[N@H+](C)C2CC([NH3+])C2)c1C ZINC000414781580 389638171 /nfs/dbraw/zinc/63/81/71/389638171.db2.gz VXAFJOQRDLTQJN-UHFFFAOYSA-N 2 2 294.399 0.985 20 0 CCADLP COC(=O)CCn1nc(C)c(C[N@@H+](C)C2CC([NH3+])C2)c1C ZINC000414781580 389638174 /nfs/dbraw/zinc/63/81/74/389638174.db2.gz VXAFJOQRDLTQJN-UHFFFAOYSA-N 2 2 294.399 0.985 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC000336523600 389641864 /nfs/dbraw/zinc/64/18/64/389641864.db2.gz MPYNHUHZBFESAD-LLVKDONJSA-N 2 2 262.357 0.994 20 0 CCADLP Cc1cc(C[N@H+](CC[NH3+])CCO)ccc1-n1cncn1 ZINC000414914095 389644912 /nfs/dbraw/zinc/64/49/12/389644912.db2.gz NXPJXAYJHBQYMV-UHFFFAOYSA-N 2 2 275.356 0.329 20 0 CCADLP Cc1cc(C[N@@H+](CC[NH3+])CCO)ccc1-n1cncn1 ZINC000414914095 389644918 /nfs/dbraw/zinc/64/49/18/389644918.db2.gz NXPJXAYJHBQYMV-UHFFFAOYSA-N 2 2 275.356 0.329 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)[C@@H]2C[C@H](C)CC[NH2+]2)C[C@@H]1C ZINC000423398405 389578780 /nfs/dbraw/zinc/57/87/80/389578780.db2.gz VIRHIDVWHGLIGT-RDBSUJKOSA-N 2 2 283.416 0.554 20 0 CCADLP COCC[N@H+]1CCN(C(=O)[C@@H]2C[C@H](C)CC[NH2+]2)C[C@@H]1C ZINC000423398405 389578784 /nfs/dbraw/zinc/57/87/84/389578784.db2.gz VIRHIDVWHGLIGT-RDBSUJKOSA-N 2 2 283.416 0.554 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@@H]1[NH2+]CCCC1(C)C ZINC000423402655 389579866 /nfs/dbraw/zinc/57/98/66/389579866.db2.gz YUBOIQPVPMZTAU-RWMBFGLXSA-N 2 2 283.416 0.648 20 0 CCADLP C[NH2+][C@H](C)C[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000423401531 389580354 /nfs/dbraw/zinc/58/03/54/389580354.db2.gz VXWUWXQPUCMBRN-QMTHXVAHSA-N 2 2 297.424 0.909 20 0 CCADLP C[NH2+][C@H](C)C[NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000423401532 389580421 /nfs/dbraw/zinc/58/04/21/389580421.db2.gz VXWUWXQPUCMBRN-YGRLFVJLSA-N 2 2 297.424 0.909 20 0 CCADLP COC[C@@]1(C(=O)NCc2[nH+]ccn2CC(C)C)CC[NH2+]C1 ZINC000423423643 389583604 /nfs/dbraw/zinc/58/36/04/389583604.db2.gz MEBXVMSAPSJCJK-OAHLLOKOSA-N 2 2 294.399 0.781 20 0 CCADLP COCCn1cc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)cn1 ZINC000414907550 389645427 /nfs/dbraw/zinc/64/54/27/389645427.db2.gz AWZXMTMMSYLIGW-YPMHNXCESA-N 2 2 252.362 0.617 20 0 CCADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(=O)n4[nH]ccc4n3)C[C@H]12 ZINC000351478493 389586050 /nfs/dbraw/zinc/58/60/50/389586050.db2.gz PMLHOSCYFWULKA-ADEWGFFLSA-N 2 2 273.340 0.192 20 0 CCADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(=O)n4[nH]ccc4n3)C[C@H]12 ZINC000351478493 389586056 /nfs/dbraw/zinc/58/60/56/389586056.db2.gz PMLHOSCYFWULKA-ADEWGFFLSA-N 2 2 273.340 0.192 20 0 CCADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000423457155 389590302 /nfs/dbraw/zinc/59/03/02/389590302.db2.gz FNMYJQJGTAKOAP-VNHYZAJKSA-N 2 2 295.427 0.826 20 0 CCADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000423457155 389590306 /nfs/dbraw/zinc/59/03/06/389590306.db2.gz FNMYJQJGTAKOAP-VNHYZAJKSA-N 2 2 295.427 0.826 20 0 CCADLP CC(=O)N1CCC(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000335711015 389592159 /nfs/dbraw/zinc/59/21/59/389592159.db2.gz RHUSSCZYLBEUQY-SMDDNHRTSA-N 2 2 253.390 0.785 20 0 CCADLP CC(=O)N1CCC(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000335711015 389592163 /nfs/dbraw/zinc/59/21/63/389592163.db2.gz RHUSSCZYLBEUQY-SMDDNHRTSA-N 2 2 253.390 0.785 20 0 CCADLP C[C@@H]1CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@@H]1O ZINC000425382092 389646582 /nfs/dbraw/zinc/64/65/82/389646582.db2.gz NOIRBGFUPATCOC-PWSUYJOCSA-N 2 2 252.362 0.689 20 0 CCADLP C[C@@H]1CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@@H]1O ZINC000425382092 389646584 /nfs/dbraw/zinc/64/65/84/389646584.db2.gz NOIRBGFUPATCOC-PWSUYJOCSA-N 2 2 252.362 0.689 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H](CO)[C@@H]2CCCO2)n1C ZINC000425337054 389646664 /nfs/dbraw/zinc/64/66/64/389646664.db2.gz MJOIJMDTGTWVDO-RYUDHWBXSA-N 2 2 268.361 0.116 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@H]([NH3+])C(C)(C)C)C[C@H](C)O1 ZINC000423755727 389608838 /nfs/dbraw/zinc/60/88/38/389608838.db2.gz AABWNCLDLTZLSZ-FRRDWIJNSA-N 2 2 285.432 0.927 20 0 CCADLP COCC[N@H+](C)CC[NH2+]CC1(OC)CCOCC1 ZINC000428879427 389725054 /nfs/dbraw/zinc/72/50/54/389725054.db2.gz CQTOKKMNDYLWCJ-UHFFFAOYSA-N 2 2 260.378 0.350 20 0 CCADLP COCC[N@@H+](C)CC[NH2+]CC1(OC)CCOCC1 ZINC000428879427 389725057 /nfs/dbraw/zinc/72/50/57/389725057.db2.gz CQTOKKMNDYLWCJ-UHFFFAOYSA-N 2 2 260.378 0.350 20 0 CCADLP C[C@H]1CC[N@H+](CCCC(=O)NC(N)=O)C[C@@H]1n1cc[nH+]c1 ZINC000179484026 389656838 /nfs/dbraw/zinc/65/68/38/389656838.db2.gz OAHZMYMUPHXXDL-RYUDHWBXSA-N 2 2 293.371 0.741 20 0 CCADLP C[C@H]1CC[N@@H+](CCCC(=O)NC(N)=O)C[C@@H]1n1cc[nH+]c1 ZINC000179484026 389656844 /nfs/dbraw/zinc/65/68/44/389656844.db2.gz OAHZMYMUPHXXDL-RYUDHWBXSA-N 2 2 293.371 0.741 20 0 CCADLP COC(=O)[C@@H](O)C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000182970261 389722154 /nfs/dbraw/zinc/72/21/54/389722154.db2.gz WAOCTAJWDCOZIL-ZDUSSCGKSA-N 2 2 281.356 0.519 20 0 CCADLP CC[C@H](C(=O)OC)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000180952877 389678667 /nfs/dbraw/zinc/67/86/67/389678667.db2.gz ASKXMKBRYWQSGA-CQSZACIVSA-N 2 2 285.432 0.896 20 0 CCADLP CC[C@H](C(=O)OC)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000180952877 389678669 /nfs/dbraw/zinc/67/86/69/389678669.db2.gz ASKXMKBRYWQSGA-CQSZACIVSA-N 2 2 285.432 0.896 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)no1 ZINC000428355905 389694342 /nfs/dbraw/zinc/69/43/42/389694342.db2.gz RXOVMIXXNSIRSM-SNVBAGLBSA-N 2 2 289.339 0.678 20 0 CCADLP Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)on1 ZINC000351858498 389700691 /nfs/dbraw/zinc/70/06/91/389700691.db2.gz ZIMPDUYNHAVRHC-DCAQKATOSA-N 2 2 266.345 0.979 20 0 CCADLP Cc1cc(NC(=O)[C@H](C)[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)on1 ZINC000351858498 389700696 /nfs/dbraw/zinc/70/06/96/389700696.db2.gz ZIMPDUYNHAVRHC-DCAQKATOSA-N 2 2 266.345 0.979 20 0 CCADLP COCCc1noc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000351861618 389701755 /nfs/dbraw/zinc/70/17/55/389701755.db2.gz LBRSFAUKWIAQMR-VHSXEESVSA-N 2 2 254.334 0.428 20 0 CCADLP COCCc1noc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000351861618 389701757 /nfs/dbraw/zinc/70/17/57/389701757.db2.gz LBRSFAUKWIAQMR-VHSXEESVSA-N 2 2 254.334 0.428 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CO)CC1 ZINC000378670679 389759986 /nfs/dbraw/zinc/75/99/86/389759986.db2.gz CWNJXQAKYCHZSM-KGLIPLIRSA-N 2 2 274.405 0.020 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CO)CC1 ZINC000378670679 389759990 /nfs/dbraw/zinc/75/99/90/389759990.db2.gz CWNJXQAKYCHZSM-KGLIPLIRSA-N 2 2 274.405 0.020 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000378670679 389759992 /nfs/dbraw/zinc/75/99/92/389759992.db2.gz CWNJXQAKYCHZSM-KGLIPLIRSA-N 2 2 274.405 0.020 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](CO)CC1 ZINC000378670679 389759995 /nfs/dbraw/zinc/75/99/95/389759995.db2.gz CWNJXQAKYCHZSM-KGLIPLIRSA-N 2 2 274.405 0.020 20 0 CCADLP [NH3+]C1CC[NH+](CC(=O)NCCOc2ccc(F)cc2)CC1 ZINC000429679165 389765380 /nfs/dbraw/zinc/76/53/80/389765380.db2.gz OZSMPOLFZLLTSV-UHFFFAOYSA-N 2 2 295.358 0.744 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1CC[NH+](C2CC2)C1)C1CC1 ZINC000382173654 389765608 /nfs/dbraw/zinc/76/56/08/389765608.db2.gz GCPGQEGURZJNOK-IUODEOHRSA-N 3 2 267.417 0.515 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1CC[NH+](C2CC2)C1)C1CC1 ZINC000382173654 389765609 /nfs/dbraw/zinc/76/56/09/389765609.db2.gz GCPGQEGURZJNOK-IUODEOHRSA-N 3 2 267.417 0.515 20 0 CCADLP C[NH+](C[C@H](O)C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000382173654 389765611 /nfs/dbraw/zinc/76/56/11/389765611.db2.gz GCPGQEGURZJNOK-IUODEOHRSA-N 3 2 267.417 0.515 20 0 CCADLP C[NH+](C[C@H](O)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000382173654 389765612 /nfs/dbraw/zinc/76/56/12/389765612.db2.gz GCPGQEGURZJNOK-IUODEOHRSA-N 3 2 267.417 0.515 20 0 CCADLP C[C@H]1C[N@H+](CCN2CCN(c3[nH+]ccn3C)CC2)CCO1 ZINC000429695988 389766881 /nfs/dbraw/zinc/76/68/81/389766881.db2.gz QLXUUIDEHNRYBX-AWEZNQCLSA-N 2 2 293.415 0.263 20 0 CCADLP C[C@H]1C[N@@H+](CCN2CCN(c3[nH+]ccn3C)CC2)CCO1 ZINC000429695988 389766884 /nfs/dbraw/zinc/76/68/84/389766884.db2.gz QLXUUIDEHNRYBX-AWEZNQCLSA-N 2 2 293.415 0.263 20 0 CCADLP C[C@H]1CN(CC[NH+]2CCN(c3[nH+]ccn3C)CC2)CCO1 ZINC000429695988 389766886 /nfs/dbraw/zinc/76/68/86/389766886.db2.gz QLXUUIDEHNRYBX-AWEZNQCLSA-N 2 2 293.415 0.263 20 0 CCADLP CC(C)([NH3+])CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000416815631 389772832 /nfs/dbraw/zinc/77/28/32/389772832.db2.gz IDRNMBOVQYWAHE-UHFFFAOYSA-N 2 2 272.393 0.134 20 0 CCADLP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)NCC(F)(F)F)C[C@@H]1C[NH3+] ZINC000397427698 389778451 /nfs/dbraw/zinc/77/84/51/389778451.db2.gz YOTUCYCSCKDPEV-BBBLOLIVSA-N 2 2 281.322 0.970 20 0 CCADLP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)NCC(F)(F)F)C[C@@H]1C[NH3+] ZINC000397427698 389778454 /nfs/dbraw/zinc/77/84/54/389778454.db2.gz YOTUCYCSCKDPEV-BBBLOLIVSA-N 2 2 281.322 0.970 20 0 CCADLP CNC(=O)CCC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000398374775 389782050 /nfs/dbraw/zinc/78/20/50/389782050.db2.gz FDFKBMSSKMXYGT-UHFFFAOYSA-N 2 2 253.350 0.102 20 0 CCADLP CC[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)CCOC)C[C@H](CC)O1 ZINC000398688688 389783932 /nfs/dbraw/zinc/78/39/32/389783932.db2.gz QYZNERWUWBXDAP-KFWWJZLASA-N 2 2 288.432 0.815 20 0 CCADLP CC[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)CCOC)C[C@H](CC)O1 ZINC000398688688 389783933 /nfs/dbraw/zinc/78/39/33/389783933.db2.gz QYZNERWUWBXDAP-KFWWJZLASA-N 2 2 288.432 0.815 20 0 CCADLP CC[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)CCOC)C[C@H](CC)O1 ZINC000398688688 389783935 /nfs/dbraw/zinc/78/39/35/389783935.db2.gz QYZNERWUWBXDAP-KFWWJZLASA-N 2 2 288.432 0.815 20 0 CCADLP CC[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)CCOC)C[C@H](CC)O1 ZINC000398688688 389783938 /nfs/dbraw/zinc/78/39/38/389783938.db2.gz QYZNERWUWBXDAP-KFWWJZLASA-N 2 2 288.432 0.815 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000417018809 389790406 /nfs/dbraw/zinc/79/04/06/389790406.db2.gz FMHWHJAKTFPANO-ZIAGYGMSSA-N 2 2 298.431 0.478 20 0 CCADLP C[C@H](CC[NH3+])NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000417027550 389790938 /nfs/dbraw/zinc/79/09/38/389790938.db2.gz ZXVAXVWSSSKIFD-SNVBAGLBSA-N 2 2 265.361 0.684 20 0 CCADLP Nc1[nH+]cnc(N2CC[N@@H+]3CCOC[C@@H]3C2)c1Cl ZINC000375941680 389726251 /nfs/dbraw/zinc/72/62/51/389726251.db2.gz MJGXMSNHMRHBIJ-QMMMGPOBSA-N 2 2 269.736 0.233 20 0 CCADLP Nc1[nH+]cnc(N2CC[N@H+]3CCOC[C@@H]3C2)c1Cl ZINC000375941680 389726254 /nfs/dbraw/zinc/72/62/54/389726254.db2.gz MJGXMSNHMRHBIJ-QMMMGPOBSA-N 2 2 269.736 0.233 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H](CNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000416438232 389743860 /nfs/dbraw/zinc/74/38/60/389743860.db2.gz ODPGEHVCASKOJO-CHWSQXEVSA-N 2 2 284.404 0.135 20 0 CCADLP Cc1nc(N2CC[C@H]3CC[N@H+](C)C[C@H]32)nc(N(C)C)[nH+]1 ZINC000352089240 389750016 /nfs/dbraw/zinc/75/00/16/389750016.db2.gz JFBWZNYXODYAHQ-VXGBXAGGSA-N 2 2 276.388 0.776 20 0 CCADLP Cc1nc(N2CC[C@H]3CC[N@@H+](C)C[C@H]32)nc(N(C)C)[nH+]1 ZINC000352089240 389750018 /nfs/dbraw/zinc/75/00/18/389750018.db2.gz JFBWZNYXODYAHQ-VXGBXAGGSA-N 2 2 276.388 0.776 20 0 CCADLP C[N@H+](CC(=O)Nc1ccncc1)CC(C)(C)C[NH3+] ZINC000430563817 389807451 /nfs/dbraw/zinc/80/74/51/389807451.db2.gz KEUUESNYBDOIOV-UHFFFAOYSA-N 2 2 250.346 0.359 20 0 CCADLP C[N@@H+](CC(=O)Nc1ccncc1)CC(C)(C)C[NH3+] ZINC000430563817 389807455 /nfs/dbraw/zinc/80/74/55/389807455.db2.gz KEUUESNYBDOIOV-UHFFFAOYSA-N 2 2 250.346 0.359 20 0 CCADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000430576488 389809171 /nfs/dbraw/zinc/80/91/71/389809171.db2.gz XNGRJAJULOEMMD-BZPMIXESSA-N 2 2 271.405 0.585 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC000430595501 389810768 /nfs/dbraw/zinc/81/07/68/389810768.db2.gz MMDHPVRSKKWSRB-LBPRGKRZSA-N 2 2 277.372 0.828 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cc(=O)n2[nH]ccc2n1 ZINC000430595501 389810771 /nfs/dbraw/zinc/81/07/71/389810771.db2.gz MMDHPVRSKKWSRB-LBPRGKRZSA-N 2 2 277.372 0.828 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000430603707 389812380 /nfs/dbraw/zinc/81/23/80/389812380.db2.gz KWYOCIBKZHIVIN-KGLIPLIRSA-N 3 2 282.432 0.210 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000430603707 389812383 /nfs/dbraw/zinc/81/23/83/389812383.db2.gz KWYOCIBKZHIVIN-KGLIPLIRSA-N 3 2 282.432 0.210 20 0 CCADLP C[NH2+][C@H]1CC[N@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000430627661 389814308 /nfs/dbraw/zinc/81/43/08/389814308.db2.gz TZWMYOABLUSCDZ-ZDUSSCGKSA-N 2 2 290.367 0.408 20 0 CCADLP C[NH2+][C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000430627661 389814311 /nfs/dbraw/zinc/81/43/11/389814311.db2.gz TZWMYOABLUSCDZ-ZDUSSCGKSA-N 2 2 290.367 0.408 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000417422649 389814732 /nfs/dbraw/zinc/81/47/32/389814732.db2.gz LKINGSRHAHXRMQ-LBPRGKRZSA-N 2 2 286.420 0.380 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000417422649 389814736 /nfs/dbraw/zinc/81/47/36/389814736.db2.gz LKINGSRHAHXRMQ-LBPRGKRZSA-N 2 2 286.420 0.380 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)CCO1 ZINC000417427296 389815143 /nfs/dbraw/zinc/81/51/43/389815143.db2.gz PNUOXGGFZMFDPC-STQMWFEESA-N 2 2 298.431 0.524 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)CCO1 ZINC000417427296 389815147 /nfs/dbraw/zinc/81/51/47/389815147.db2.gz PNUOXGGFZMFDPC-STQMWFEESA-N 2 2 298.431 0.524 20 0 CCADLP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CC[NH2+]CC1 ZINC000430630092 389815222 /nfs/dbraw/zinc/81/52/22/389815222.db2.gz RDGMEFGBRIDSQG-UHFFFAOYSA-N 3 2 294.443 0.413 20 0 CCADLP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CC[NH2+]CC1 ZINC000430630092 389815226 /nfs/dbraw/zinc/81/52/26/389815226.db2.gz RDGMEFGBRIDSQG-UHFFFAOYSA-N 3 2 294.443 0.413 20 0 CCADLP CCC[NH2+]CCNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000417501509 389821763 /nfs/dbraw/zinc/82/17/63/389821763.db2.gz AATWGCXXEDOXAS-LBPRGKRZSA-N 2 2 272.393 0.006 20 0 CCADLP CCC[NH2+]CCNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000417501509 389821767 /nfs/dbraw/zinc/82/17/67/389821767.db2.gz AATWGCXXEDOXAS-LBPRGKRZSA-N 2 2 272.393 0.006 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000417498221 389821818 /nfs/dbraw/zinc/82/18/18/389821818.db2.gz CIGSOLWRNGJGTI-ZIAGYGMSSA-N 2 2 298.431 0.539 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000417498221 389821823 /nfs/dbraw/zinc/82/18/23/389821823.db2.gz CIGSOLWRNGJGTI-ZIAGYGMSSA-N 2 2 298.431 0.539 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)NC1(C)CC[NH2+]CC1 ZINC000417507378 389823665 /nfs/dbraw/zinc/82/36/65/389823665.db2.gz OZCIPSFMYVYBIW-UHFFFAOYSA-N 2 2 298.431 0.539 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)NC1(C)CC[NH2+]CC1 ZINC000417507378 389823668 /nfs/dbraw/zinc/82/36/68/389823668.db2.gz OZCIPSFMYVYBIW-UHFFFAOYSA-N 2 2 298.431 0.539 20 0 CCADLP C[C@H](NC(=O)N1CC[NH2+][C@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000417515456 389824074 /nfs/dbraw/zinc/82/40/74/389824074.db2.gz DIZQVFJLIZWMLD-AGIUHOORSA-N 2 2 284.404 0.099 20 0 CCADLP O=C(C[NH2+]C[C@H]1CCCO1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000430774448 389824052 /nfs/dbraw/zinc/82/40/52/389824052.db2.gz CBBKNAQZLDCPCY-CYBMUJFWSA-N 2 2 292.383 0.884 20 0 CCADLP O=C(C[NH2+]C[C@H]1CCCO1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000430774448 389824056 /nfs/dbraw/zinc/82/40/56/389824056.db2.gz CBBKNAQZLDCPCY-CYBMUJFWSA-N 2 2 292.383 0.884 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417517835 389824892 /nfs/dbraw/zinc/82/48/92/389824892.db2.gz REMZQEGRVBVPBY-GXTWGEPZSA-N 2 2 298.431 0.524 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417517835 389824896 /nfs/dbraw/zinc/82/48/96/389824896.db2.gz REMZQEGRVBVPBY-GXTWGEPZSA-N 2 2 298.431 0.524 20 0 CCADLP C[C@@H](NC(=O)NC1CCC([NH3+])CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000417517463 389825231 /nfs/dbraw/zinc/82/52/31/389825231.db2.gz IZUDDLKTIOEVEH-IWMBGFJWSA-N 2 2 298.431 0.665 20 0 CCADLP C[C@H](NC(=O)NC[C@H]([NH3+])C1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000417527355 389827356 /nfs/dbraw/zinc/82/73/56/389827356.db2.gz VLHUNQYUAQZUKD-GVXVVHGQSA-N 2 2 284.404 0.132 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N1CCC[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000417531573 389828134 /nfs/dbraw/zinc/82/81/34/389828134.db2.gz ZDGXOTJIFDJTNE-YNEHKIRRSA-N 2 2 284.404 0.228 20 0 CCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000417551899 389828953 /nfs/dbraw/zinc/82/89/53/389828953.db2.gz PGIXQHKPSAFTAP-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000417551899 389828959 /nfs/dbraw/zinc/82/89/59/389828959.db2.gz PGIXQHKPSAFTAP-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP CO[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000441365782 389831622 /nfs/dbraw/zinc/83/16/22/389831622.db2.gz RHWWWHJEXQVSPQ-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CO[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000441365782 389831625 /nfs/dbraw/zinc/83/16/25/389831625.db2.gz RHWWWHJEXQVSPQ-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP [NH3+]C[C@H]1CC[N@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000430928466 389835757 /nfs/dbraw/zinc/83/57/57/389835757.db2.gz LPHRKSSDUCEFPC-GFCCVEGCSA-N 2 2 283.397 0.246 20 0 CCADLP [NH3+]C[C@H]1CC[N@@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000430928466 389835760 /nfs/dbraw/zinc/83/57/60/389835760.db2.gz LPHRKSSDUCEFPC-GFCCVEGCSA-N 2 2 283.397 0.246 20 0 CCADLP Cc1cnn(C)c1C[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000352748100 389835992 /nfs/dbraw/zinc/83/59/92/389835992.db2.gz HCRNPQIVTDMWTP-GFCCVEGCSA-N 2 2 266.389 0.786 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC[C@@H]1[NH3+] ZINC000430936615 389836774 /nfs/dbraw/zinc/83/67/74/389836774.db2.gz VHJPGQSRSYWWGY-DOMZBBRYSA-N 3 2 294.443 0.399 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC[C@@H]1[NH3+] ZINC000430936615 389836776 /nfs/dbraw/zinc/83/67/76/389836776.db2.gz VHJPGQSRSYWWGY-DOMZBBRYSA-N 3 2 294.443 0.399 20 0 CCADLP CCOc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000430940481 389837892 /nfs/dbraw/zinc/83/78/92/389837892.db2.gz PGSXLKGNXCTTMF-AWEZNQCLSA-N 2 2 291.395 0.982 20 0 CCADLP CCOc1cccc(CNC(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000430940481 389837894 /nfs/dbraw/zinc/83/78/94/389837894.db2.gz PGSXLKGNXCTTMF-AWEZNQCLSA-N 2 2 291.395 0.982 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)NCc2cccnc2)CC[C@H]1[NH3+] ZINC000430956930 389840224 /nfs/dbraw/zinc/84/02/24/389840224.db2.gz QPTGVZBIYPGRNP-WCQYABFASA-N 2 2 262.357 0.367 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)NCc2cccnc2)CC[C@H]1[NH3+] ZINC000430956930 389840227 /nfs/dbraw/zinc/84/02/27/389840227.db2.gz QPTGVZBIYPGRNP-WCQYABFASA-N 2 2 262.357 0.367 20 0 CCADLP C[NH2+]CCNC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000417687460 389842033 /nfs/dbraw/zinc/84/20/33/389842033.db2.gz IDKSSCNQPKKNSK-UHFFFAOYSA-N 2 2 273.340 0.891 20 0 CCADLP Cn1cc(C[NH+]2CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC2)cn1 ZINC000431011127 389844187 /nfs/dbraw/zinc/84/41/87/389844187.db2.gz UEUSZHZOXCVGRW-CYBMUJFWSA-N 2 2 293.415 0.438 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC000353095703 389845178 /nfs/dbraw/zinc/84/51/78/389845178.db2.gz XVWGVJYXZDEMBD-WOPDTQHZSA-N 2 2 295.349 0.789 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC000353095703 389845180 /nfs/dbraw/zinc/84/51/80/389845180.db2.gz XVWGVJYXZDEMBD-WOPDTQHZSA-N 2 2 295.349 0.789 20 0 CCADLP CCC[N@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C1CC[NH2+]CC1 ZINC000431079060 389849388 /nfs/dbraw/zinc/84/93/88/389849388.db2.gz HZOOAXSLSNLFPZ-LBPRGKRZSA-N 2 2 298.431 0.043 20 0 CCADLP CCC[N@@H+](CC(=O)N[C@@H](C)C(=O)N(C)C)C1CC[NH2+]CC1 ZINC000431079060 389849390 /nfs/dbraw/zinc/84/93/90/389849390.db2.gz HZOOAXSLSNLFPZ-LBPRGKRZSA-N 2 2 298.431 0.043 20 0 CCADLP C[C@H](C[NH3+])CNC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000417811925 389851703 /nfs/dbraw/zinc/85/17/03/389851703.db2.gz KHYIFRNXEVTGHG-RDDDGLTNSA-N 2 2 257.284 0.676 20 0 CCADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CC[NH2+]1 ZINC000444168685 389894089 /nfs/dbraw/zinc/89/40/89/389894089.db2.gz ITZLTMUJVUPDRY-CQSZACIVSA-N 2 2 270.336 0.910 20 0 CCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444183126 389895839 /nfs/dbraw/zinc/89/58/39/389895839.db2.gz MUGQYNGMCOJUDD-CJNGLKHVSA-N 2 2 288.395 0.878 20 0 CCADLP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000444269949 389898736 /nfs/dbraw/zinc/89/87/36/389898736.db2.gz PCINFRAQKRYGJU-WFASDCNBSA-N 2 2 289.383 0.054 20 0 CCADLP C[NH+](C)Cc1ccccc1C(=O)NCC[NH+]1CCOCC1 ZINC000433120665 389899176 /nfs/dbraw/zinc/89/91/76/389899176.db2.gz KTUNNSXAIYVLGL-UHFFFAOYSA-N 2 2 291.395 0.810 20 0 CCADLP Cn1cc[nH+]c1CNc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000433207960 389906080 /nfs/dbraw/zinc/90/60/80/389906080.db2.gz MFHKGQHRGIDBRW-UHFFFAOYSA-N 2 2 299.378 0.876 20 0 CCADLP Cn1cc[nH+]c1CNc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000433207960 389906081 /nfs/dbraw/zinc/90/60/81/389906081.db2.gz MFHKGQHRGIDBRW-UHFFFAOYSA-N 2 2 299.378 0.876 20 0 CCADLP C[C@H](C[N@H+](C)[C@H]1CCC[NH2+]CC1)CS(C)(=O)=O ZINC000435622686 389959200 /nfs/dbraw/zinc/95/92/00/389959200.db2.gz FLHVNAQUTXBRRT-NEPJUHHUSA-N 2 2 262.419 0.741 20 0 CCADLP C[C@H](C[N@@H+](C)[C@H]1CCC[NH2+]CC1)CS(C)(=O)=O ZINC000435622686 389959202 /nfs/dbraw/zinc/95/92/02/389959202.db2.gz FLHVNAQUTXBRRT-NEPJUHHUSA-N 2 2 262.419 0.741 20 0 CCADLP C[C@@H](O)CNc1cc(N2CC[NH2+][C@@H](C)C2)nc[nH+]1 ZINC000420187441 389963936 /nfs/dbraw/zinc/96/39/36/389963936.db2.gz DJZILAOHWIIOKI-VHSXEESVSA-N 2 2 251.334 0.067 20 0 CCADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[NH2+][C@H](C)C3)nc[nH+]2)C1 ZINC000420192153 389964435 /nfs/dbraw/zinc/96/44/35/389964435.db2.gz SFRGVOPCAODUDB-FRRDWIJNSA-N 2 2 291.399 0.482 20 0 CCADLP C[NH2+]CCC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000435869151 389964577 /nfs/dbraw/zinc/96/45/77/389964577.db2.gz BAEWRNRGFYFAIZ-UHFFFAOYSA-N 3 2 296.459 0.472 20 0 CCADLP C[NH2+]CCC[NH+]1CCN(Cc2noc(C)n2)CC1 ZINC000435875926 389964887 /nfs/dbraw/zinc/96/48/87/389964887.db2.gz VNCABJYTKXZFGJ-UHFFFAOYSA-N 2 2 253.350 0.105 20 0 CCADLP C[NH2+]C[C@H](C)CNc1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000420212228 389966325 /nfs/dbraw/zinc/96/63/25/389966325.db2.gz TZQCHQYFKMQRIO-RYUDHWBXSA-N 2 2 279.388 0.705 20 0 CCADLP C[NH2+]C[C@H](C)CNc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000420212228 389966326 /nfs/dbraw/zinc/96/63/26/389966326.db2.gz TZQCHQYFKMQRIO-RYUDHWBXSA-N 2 2 279.388 0.705 20 0 CCADLP C[C@@H](O)CNc1cc(N2CC[NH2+]C[C@@](C)(F)C2)nc[nH+]1 ZINC000420263694 389975584 /nfs/dbraw/zinc/97/55/84/389975584.db2.gz OBGNFDYZCKDFGO-ZWNOBZJWSA-N 2 2 283.351 0.407 20 0 CCADLP CC1=CCC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000436260196 389973785 /nfs/dbraw/zinc/97/37/85/389973785.db2.gz MSVISPQWUJHROB-UHFFFAOYSA-N 2 2 295.427 0.865 20 0 CCADLP CC1=CCC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000436260196 389973787 /nfs/dbraw/zinc/97/37/87/389973787.db2.gz MSVISPQWUJHROB-UHFFFAOYSA-N 2 2 295.427 0.865 20 0 CCADLP C[C@H](CN1CCOCC1)[N@H+](C)CCn1cc[nH+]c1 ZINC000434714340 389944648 /nfs/dbraw/zinc/94/46/48/389944648.db2.gz PHYCYFJHZDEUGI-CYBMUJFWSA-N 2 2 252.362 0.536 20 0 CCADLP C[C@H](CN1CCOCC1)[N@@H+](C)CCn1cc[nH+]c1 ZINC000434714340 389944649 /nfs/dbraw/zinc/94/46/49/389944649.db2.gz PHYCYFJHZDEUGI-CYBMUJFWSA-N 2 2 252.362 0.536 20 0 CCADLP OCC[NH+](CCO)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420909951 390037765 /nfs/dbraw/zinc/03/77/65/390037765.db2.gz ZTICFVQNHVHRAL-UHFFFAOYSA-N 2 2 294.395 0.305 20 0 CCADLP O=C(NCC[NH+]1CCOCC1)C1C[NH+](C2CCCCC2)C1 ZINC000457382101 390041625 /nfs/dbraw/zinc/04/16/25/390041625.db2.gz HTIRXEJZKXYDIC-UHFFFAOYSA-N 2 2 295.427 0.699 20 0 CCADLP Cn1ncc(Cl)c1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000436413294 389975975 /nfs/dbraw/zinc/97/59/75/389975975.db2.gz OVCHDVFRZWRJIQ-LLVKDONJSA-N 2 2 258.753 0.230 20 0 CCADLP Cn1ncc(Cl)c1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000436413294 389975977 /nfs/dbraw/zinc/97/59/77/389975977.db2.gz OVCHDVFRZWRJIQ-LLVKDONJSA-N 2 2 258.753 0.230 20 0 CCADLP CCCCNc1cc(N[C@H](C)[C@@H](C)[NH3+])nc(N)[nH+]1 ZINC000420271832 389976396 /nfs/dbraw/zinc/97/63/96/389976396.db2.gz VVXVSQSQBXHLDW-RKDXNWHRSA-N 2 2 252.366 0.671 20 0 CCADLP C[C@H]1C[N@H+](CCN2CC[NH2+]C[C@@](C)(F)C2)CCO1 ZINC000420323124 389983514 /nfs/dbraw/zinc/98/35/14/389983514.db2.gz AUGXWTMXACGXOL-QWHCGFSZSA-N 2 2 259.369 0.341 20 0 CCADLP C[C@H]1C[N@@H+](CCN2CC[NH2+]C[C@@](C)(F)C2)CCO1 ZINC000420323124 389983516 /nfs/dbraw/zinc/98/35/16/389983516.db2.gz AUGXWTMXACGXOL-QWHCGFSZSA-N 2 2 259.369 0.341 20 0 CCADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+](C)C[C@H](O)C[NH3+])c1 ZINC000420350601 389988378 /nfs/dbraw/zinc/98/83/78/389988378.db2.gz HJDANMIBQIJYIE-GXTWGEPZSA-N 2 2 279.384 0.882 20 0 CCADLP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+](C)C[C@H](O)C[NH3+])c1 ZINC000420350601 389988380 /nfs/dbraw/zinc/98/83/80/389988380.db2.gz HJDANMIBQIJYIE-GXTWGEPZSA-N 2 2 279.384 0.882 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH3+])[C@@H]1CCN(c2ccccc2)C1=O ZINC000420350356 389988659 /nfs/dbraw/zinc/98/86/59/389988659.db2.gz GOZHVELNJSDOAX-QWHCGFSZSA-N 2 2 263.341 0.043 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH3+])[C@@H]1CCN(c2ccccc2)C1=O ZINC000420350356 389988660 /nfs/dbraw/zinc/98/86/60/389988660.db2.gz GOZHVELNJSDOAX-QWHCGFSZSA-N 2 2 263.341 0.043 20 0 CCADLP CC1CCC(N(C(=O)C[N@H+](C)C[C@H](O)C[NH3+])C2CC2)CC1 ZINC000420351265 389989142 /nfs/dbraw/zinc/98/91/42/389989142.db2.gz JNXKPIONQDMISV-SSDMNJCBSA-N 2 2 297.443 0.808 20 0 CCADLP CC1CCC(N(C(=O)C[N@@H+](C)C[C@H](O)C[NH3+])C2CC2)CC1 ZINC000420351265 389989143 /nfs/dbraw/zinc/98/91/43/389989143.db2.gz JNXKPIONQDMISV-SSDMNJCBSA-N 2 2 297.443 0.808 20 0 CCADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)C[NH3+])cc1C ZINC000420351491 389989153 /nfs/dbraw/zinc/98/91/53/389989153.db2.gz KGUXKMLOYYRMHI-OCCSQVGLSA-N 2 2 279.384 0.882 20 0 CCADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])cc1C ZINC000420351491 389989155 /nfs/dbraw/zinc/98/91/55/389989155.db2.gz KGUXKMLOYYRMHI-OCCSQVGLSA-N 2 2 279.384 0.882 20 0 CCADLP C[N@@H+](CC(=O)N(Cc1ccccc1)C1CC1)C[C@H](O)C[NH3+] ZINC000420353611 389989598 /nfs/dbraw/zinc/98/95/98/389989598.db2.gz NKWHWFSGNQNTLU-OAHLLOKOSA-N 2 2 291.395 0.429 20 0 CCADLP C[N@H+](CC(=O)N(Cc1ccccc1)C1CC1)C[C@H](O)C[NH3+] ZINC000420353611 389989601 /nfs/dbraw/zinc/98/96/01/389989601.db2.gz NKWHWFSGNQNTLU-OAHLLOKOSA-N 2 2 291.395 0.429 20 0 CCADLP CCOc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000420353997 389990239 /nfs/dbraw/zinc/99/02/39/389990239.db2.gz NUSQIELWKDMVMA-AAEUAGOBSA-N 2 2 295.383 0.664 20 0 CCADLP CCOc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000420353997 389990240 /nfs/dbraw/zinc/99/02/40/389990240.db2.gz NUSQIELWKDMVMA-AAEUAGOBSA-N 2 2 295.383 0.664 20 0 CCADLP CCCNC(=O)NC(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420372035 389993814 /nfs/dbraw/zinc/99/38/14/389993814.db2.gz XOMIWYWTNKIMKM-VIFPVBQESA-N 2 2 258.366 0.185 20 0 CCADLP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000420383752 389995376 /nfs/dbraw/zinc/99/53/76/389995376.db2.gz ZZAQWNXCCKYINE-MNOVXSKESA-N 2 2 285.413 0.935 20 0 CCADLP C[C@@H](C[NH2+]CC[C@@H]1CCOC1)C[NH+]1CCOCC1 ZINC000438192915 390002718 /nfs/dbraw/zinc/00/27/18/390002718.db2.gz UPJJGHGDHPPTSQ-UONOGXRCSA-N 2 2 256.390 0.971 20 0 CCADLP CSCCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000439474215 390021573 /nfs/dbraw/zinc/02/15/73/390021573.db2.gz BKRPLHRLAUWGIJ-UHFFFAOYSA-N 2 2 259.419 0.445 20 0 CCADLP CSCCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000439474215 390021574 /nfs/dbraw/zinc/02/15/74/390021574.db2.gz BKRPLHRLAUWGIJ-UHFFFAOYSA-N 2 2 259.419 0.445 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)NCC[NH2+]CCOC ZINC000493142133 390119375 /nfs/dbraw/zinc/11/93/75/390119375.db2.gz VFCJREHQIQYVED-PLNGDYQASA-N 2 2 266.345 0.268 20 0 CCADLP Cc1nc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nc(N(C)C)[nH+]1 ZINC000488375437 390093388 /nfs/dbraw/zinc/09/33/88/390093388.db2.gz QUSNUVCSBLPUST-VXGBXAGGSA-N 2 2 276.388 0.707 20 0 CCADLP Cc1nc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc(N(C)C)[nH+]1 ZINC000488375437 390093389 /nfs/dbraw/zinc/09/33/89/390093389.db2.gz QUSNUVCSBLPUST-VXGBXAGGSA-N 2 2 276.388 0.707 20 0 CCADLP Cc1nc(N(C)C)nc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000488375437 390093390 /nfs/dbraw/zinc/09/33/90/390093390.db2.gz QUSNUVCSBLPUST-VXGBXAGGSA-N 2 2 276.388 0.707 20 0 CCADLP Cc1nc(N(C)C)nc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000488375437 390093391 /nfs/dbraw/zinc/09/33/91/390093391.db2.gz QUSNUVCSBLPUST-VXGBXAGGSA-N 2 2 276.388 0.707 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC000489331122 390099320 /nfs/dbraw/zinc/09/93/20/390099320.db2.gz OENNVDOIWYNFGO-QWHCGFSZSA-N 2 2 269.389 0.116 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC000489331122 390099321 /nfs/dbraw/zinc/09/93/21/390099321.db2.gz OENNVDOIWYNFGO-QWHCGFSZSA-N 2 2 269.389 0.116 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC000489331122 390099322 /nfs/dbraw/zinc/09/93/22/390099322.db2.gz OENNVDOIWYNFGO-QWHCGFSZSA-N 2 2 269.389 0.116 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC000489331122 390099323 /nfs/dbraw/zinc/09/93/23/390099323.db2.gz OENNVDOIWYNFGO-QWHCGFSZSA-N 2 2 269.389 0.116 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C/C[NH+](C)C ZINC000491850078 390117407 /nfs/dbraw/zinc/11/74/07/390117407.db2.gz PQXIBJVNMRXVTL-VOTSOKGWSA-N 3 2 296.459 0.589 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C/C[NH+](C)C ZINC000491850078 390117408 /nfs/dbraw/zinc/11/74/08/390117408.db2.gz PQXIBJVNMRXVTL-VOTSOKGWSA-N 3 2 296.459 0.589 20 0 CCADLP C[C@H]([NH3+])C1CC[NH+](CC(=O)Nc2ccon2)CC1 ZINC000647832487 390185372 /nfs/dbraw/zinc/18/53/72/390185372.db2.gz ZZCAHMJOMCNGRY-VIFPVBQESA-N 2 2 252.318 0.094 20 0 CCADLP O=C(CC[C@H]1CCC[NH2+]1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000494647247 390188616 /nfs/dbraw/zinc/18/86/16/390188616.db2.gz HUTSMXUQSJDRFA-CYBMUJFWSA-N 2 2 291.399 0.586 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCCC[NH2+]C(C)C ZINC000579107759 390141381 /nfs/dbraw/zinc/14/13/81/390141381.db2.gz YNHIGDMABPSXDF-CQSZACIVSA-N 2 2 285.432 0.992 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCCC[NH2+]C(C)C ZINC000579107759 390141384 /nfs/dbraw/zinc/14/13/84/390141384.db2.gz YNHIGDMABPSXDF-CQSZACIVSA-N 2 2 285.432 0.992 20 0 CCADLP Cc1[nH]c2ncnc(N3CC[N@@H+](C)C[C@@H]3C[NH3+])c2c1C ZINC000647705612 390141534 /nfs/dbraw/zinc/14/15/34/390141534.db2.gz CQMNPYWRJRERIQ-NSHDSACASA-N 2 2 274.372 0.654 20 0 CCADLP Cc1[nH]c2ncnc(N3CC[N@H+](C)C[C@@H]3C[NH3+])c2c1C ZINC000647705612 390141539 /nfs/dbraw/zinc/14/15/39/390141539.db2.gz CQMNPYWRJRERIQ-NSHDSACASA-N 2 2 274.372 0.654 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535314052 390142941 /nfs/dbraw/zinc/14/29/41/390142941.db2.gz PUNBQBYCSPEWDC-MNOVXSKESA-N 2 2 262.357 0.877 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535314052 390142944 /nfs/dbraw/zinc/14/29/44/390142944.db2.gz PUNBQBYCSPEWDC-MNOVXSKESA-N 2 2 262.357 0.877 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000644150328 390148196 /nfs/dbraw/zinc/14/81/96/390148196.db2.gz JUUGVSRLXFARAZ-VXGBXAGGSA-N 2 2 262.357 0.632 20 0 CCADLP C[C@@]1(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCC[NH2+]1 ZINC000644150380 390148292 /nfs/dbraw/zinc/14/82/92/390148292.db2.gz VAJAEVJPHCDTHW-DOMZBBRYSA-N 2 2 274.368 0.919 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494348152 390167238 /nfs/dbraw/zinc/16/72/38/390167238.db2.gz HQESXBCVDZASAK-OLZOCXBDSA-N 2 2 267.373 0.997 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494348152 390167240 /nfs/dbraw/zinc/16/72/40/390167240.db2.gz HQESXBCVDZASAK-OLZOCXBDSA-N 2 2 267.373 0.997 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494348152 390167242 /nfs/dbraw/zinc/16/72/42/390167242.db2.gz HQESXBCVDZASAK-OLZOCXBDSA-N 2 2 267.373 0.997 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494348152 390167245 /nfs/dbraw/zinc/16/72/45/390167245.db2.gz HQESXBCVDZASAK-OLZOCXBDSA-N 2 2 267.373 0.997 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494348151 390167265 /nfs/dbraw/zinc/16/72/65/390167265.db2.gz HQESXBCVDZASAK-CHWSQXEVSA-N 2 2 267.373 0.997 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494348151 390167267 /nfs/dbraw/zinc/16/72/67/390167267.db2.gz HQESXBCVDZASAK-CHWSQXEVSA-N 2 2 267.373 0.997 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494348151 390167268 /nfs/dbraw/zinc/16/72/68/390167268.db2.gz HQESXBCVDZASAK-CHWSQXEVSA-N 2 2 267.373 0.997 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494348151 390167271 /nfs/dbraw/zinc/16/72/71/390167271.db2.gz HQESXBCVDZASAK-CHWSQXEVSA-N 2 2 267.373 0.997 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccccn2)CC1 ZINC000538967818 390201197 /nfs/dbraw/zinc/20/11/97/390201197.db2.gz OHPAPEOHQCCPQS-HNNXBMFYSA-N 2 2 288.395 0.993 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2c2ccccn2)CC1 ZINC000538967818 390201199 /nfs/dbraw/zinc/20/11/99/390201199.db2.gz OHPAPEOHQCCPQS-HNNXBMFYSA-N 2 2 288.395 0.993 20 0 CCADLP C[N@@H+]1CC[C@@H]2CCN(c3nc[nH+]c4c3OCCN4)[C@H]2C1 ZINC000647876785 390203363 /nfs/dbraw/zinc/20/33/63/390203363.db2.gz ZUOFZSVTJAAIGW-MNOVXSKESA-N 2 2 275.356 0.811 20 0 CCADLP C[N@H+]1CC[C@@H]2CCN(c3nc[nH+]c4c3OCCN4)[C@H]2C1 ZINC000647876785 390203366 /nfs/dbraw/zinc/20/33/66/390203366.db2.gz ZUOFZSVTJAAIGW-MNOVXSKESA-N 2 2 275.356 0.811 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(c2nc[nH+]c3c2OCCN3)[C@@H](C)C1 ZINC000647877967 390204455 /nfs/dbraw/zinc/20/44/55/390204455.db2.gz KJIRXUHXUDOESU-QWRGUYRKSA-N 2 2 293.371 0.172 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(c2nc[nH+]c3c2OCCN3)[C@@H](C)C1 ZINC000647877967 390204457 /nfs/dbraw/zinc/20/44/57/390204457.db2.gz KJIRXUHXUDOESU-QWRGUYRKSA-N 2 2 293.371 0.172 20 0 CCADLP O=C(CC[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1)N1CC[NH2+]CC1 ZINC000647880976 390205386 /nfs/dbraw/zinc/20/53/86/390205386.db2.gz KUKVTIQVOZTIKC-CYBMUJFWSA-N 2 2 291.399 0.411 20 0 CCADLP O=C(CC[N@H+]1CCC[C@@H](c2ccn[nH]2)C1)N1CC[NH2+]CC1 ZINC000647880976 390205389 /nfs/dbraw/zinc/20/53/89/390205389.db2.gz KUKVTIQVOZTIKC-CYBMUJFWSA-N 2 2 291.399 0.411 20 0 CCADLP CC[N@H+](C[C@H]1CC[NH2+]C1)[C@H](C)CS(=O)(=O)CC ZINC000647885779 390208018 /nfs/dbraw/zinc/20/80/18/390208018.db2.gz PMSZCGMVNUWLAY-NEPJUHHUSA-N 2 2 262.419 0.741 20 0 CCADLP CC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H](C)CS(=O)(=O)CC ZINC000647885779 390208020 /nfs/dbraw/zinc/20/80/20/390208020.db2.gz PMSZCGMVNUWLAY-NEPJUHHUSA-N 2 2 262.419 0.741 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCC(=O)Nc1ccccn1 ZINC000539715706 390208574 /nfs/dbraw/zinc/20/85/74/390208574.db2.gz OZVIWNMKTQTYLF-NWDGAFQWSA-N 2 2 262.357 0.950 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCC(=O)Nc1ccccn1 ZINC000539715706 390208576 /nfs/dbraw/zinc/20/85/76/390208576.db2.gz OZVIWNMKTQTYLF-NWDGAFQWSA-N 2 2 262.357 0.950 20 0 CCADLP O=C(C[N@H+](C[C@@H]1CC[NH2+]C1)C[C@H]1CCCO1)N1CCCC1 ZINC000647889410 390209870 /nfs/dbraw/zinc/20/98/70/390209870.db2.gz OAVGMLHWDAHKOP-HUUCEWRRSA-N 2 2 295.427 0.699 20 0 CCADLP O=C(C[N@@H+](C[C@@H]1CC[NH2+]C1)C[C@H]1CCCO1)N1CCCC1 ZINC000647889410 390209873 /nfs/dbraw/zinc/20/98/73/390209873.db2.gz OAVGMLHWDAHKOP-HUUCEWRRSA-N 2 2 295.427 0.699 20 0 CCADLP C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000647905597 390212516 /nfs/dbraw/zinc/21/25/16/390212516.db2.gz ZYVIIWKFADOTTJ-OPRDCNLKSA-N 2 2 279.392 0.080 20 0 CCADLP C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000647905597 390212518 /nfs/dbraw/zinc/21/25/18/390212518.db2.gz ZYVIIWKFADOTTJ-OPRDCNLKSA-N 2 2 279.392 0.080 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)Cc1nnc2n1CCC2 ZINC000540550442 390222148 /nfs/dbraw/zinc/22/21/48/390222148.db2.gz XTIZAVGZGGKTKW-UHFFFAOYSA-N 2 2 260.345 0.943 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1nnc2n1CCC2 ZINC000540550442 390222152 /nfs/dbraw/zinc/22/21/52/390222152.db2.gz XTIZAVGZGGKTKW-UHFFFAOYSA-N 2 2 260.345 0.943 20 0 CCADLP Cn1ncc2c1nc(C[N@H+](C)CC(C)(C)C[NH3+])[nH]c2=O ZINC000647857564 390195192 /nfs/dbraw/zinc/19/51/92/390195192.db2.gz SPZREHUCCUTPKF-UHFFFAOYSA-N 2 2 278.360 0.486 20 0 CCADLP Cn1ncc2c1nc(C[N@@H+](C)CC(C)(C)C[NH3+])[nH]c2=O ZINC000647857564 390195193 /nfs/dbraw/zinc/19/51/93/390195193.db2.gz SPZREHUCCUTPKF-UHFFFAOYSA-N 2 2 278.360 0.486 20 0 CCADLP C[C@H](CCCC[NH3+])NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000494712390 390196587 /nfs/dbraw/zinc/19/65/87/390196587.db2.gz VHHUZFDPDAXRET-NEPJUHHUSA-N 2 2 257.378 0.341 20 0 CCADLP O=S1(=O)CCO[C@H](C[NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000538757905 390198568 /nfs/dbraw/zinc/19/85/68/390198568.db2.gz MSTHHOCYULUBKH-GFCCVEGCSA-N 2 2 295.364 0.238 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC(C2CC2)C2CC2)[C@H](C[NH3+])C1 ZINC000580292308 390235052 /nfs/dbraw/zinc/23/50/52/390235052.db2.gz BMVCBWDYKQTIRH-GFCCVEGCSA-N 2 2 266.389 0.459 20 0 CCADLP C[N@H+]1CCN(C(=O)NC(C2CC2)C2CC2)[C@H](C[NH3+])C1 ZINC000580292308 390235056 /nfs/dbraw/zinc/23/50/56/390235056.db2.gz BMVCBWDYKQTIRH-GFCCVEGCSA-N 2 2 266.389 0.459 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)CCCn1cc[nH+]c1 ZINC000647969784 390235397 /nfs/dbraw/zinc/23/53/97/390235397.db2.gz RDTSEOMJHXFZCE-AWEZNQCLSA-N 2 2 268.405 0.906 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)CCCn1cc[nH+]c1 ZINC000647969784 390235401 /nfs/dbraw/zinc/23/54/01/390235401.db2.gz RDTSEOMJHXFZCE-AWEZNQCLSA-N 2 2 268.405 0.906 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)CCCn1ccnc1 ZINC000647969784 390235416 /nfs/dbraw/zinc/23/54/16/390235416.db2.gz RDTSEOMJHXFZCE-AWEZNQCLSA-N 2 2 268.405 0.906 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)CCCn1ccnc1 ZINC000647969784 390235418 /nfs/dbraw/zinc/23/54/18/390235418.db2.gz RDTSEOMJHXFZCE-AWEZNQCLSA-N 2 2 268.405 0.906 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@]23CCc2ccccc23)[C@H](C[NH3+])C1 ZINC000580324095 390238844 /nfs/dbraw/zinc/23/88/44/390238844.db2.gz YUCYOMKGGZPAGX-UWWQBHOKSA-N 2 2 299.418 0.992 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2C[C@@]23CCc2ccccc23)[C@H](C[NH3+])C1 ZINC000580324095 390238849 /nfs/dbraw/zinc/23/88/49/390238849.db2.gz YUCYOMKGGZPAGX-UWWQBHOKSA-N 2 2 299.418 0.992 20 0 CCADLP CCc1noc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)n1 ZINC000647985824 390238912 /nfs/dbraw/zinc/23/89/12/390238912.db2.gz DMSACLNUPYVGRH-NSHDSACASA-N 2 2 280.372 0.819 20 0 CCADLP CCc1noc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)n1 ZINC000647985824 390238915 /nfs/dbraw/zinc/23/89/15/390238915.db2.gz DMSACLNUPYVGRH-NSHDSACASA-N 2 2 280.372 0.819 20 0 CCADLP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000647991918 390241187 /nfs/dbraw/zinc/24/11/87/390241187.db2.gz FSTFVEWFCPAAIG-BDAKNGLRSA-N 2 2 257.359 0.332 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH2+]CCc2n[nH]c(C)n2)[C@@H](C)C1 ZINC000543740263 390290571 /nfs/dbraw/zinc/29/05/71/390290571.db2.gz LRSBNAAAEPRTLE-CMPLNLGQSA-N 2 2 251.378 0.976 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH2+]CCc2n[nH]c(C)n2)[C@@H](C)C1 ZINC000543740263 390290575 /nfs/dbraw/zinc/29/05/75/390290575.db2.gz LRSBNAAAEPRTLE-CMPLNLGQSA-N 2 2 251.378 0.976 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH2+]CCc2nnc(C)[nH]2)[C@@H](C)C1 ZINC000543740263 390290577 /nfs/dbraw/zinc/29/05/77/390290577.db2.gz LRSBNAAAEPRTLE-CMPLNLGQSA-N 2 2 251.378 0.976 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH2+]CCc2nnc(C)[nH]2)[C@@H](C)C1 ZINC000543740263 390290581 /nfs/dbraw/zinc/29/05/81/390290581.db2.gz LRSBNAAAEPRTLE-CMPLNLGQSA-N 2 2 251.378 0.976 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NCCCCn1cc[nH+]c1 ZINC000580505552 390245539 /nfs/dbraw/zinc/24/55/39/390245539.db2.gz ZHXRGRWQEGKCED-UHFFFAOYSA-N 2 2 276.344 0.896 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)CC1(C)C)N1CC[NH+](C)CC1 ZINC000541721069 390245497 /nfs/dbraw/zinc/24/54/97/390245497.db2.gz PLHKWXPMDGESOJ-CYBMUJFWSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)CC1(C)C)N1CC[NH+](C)CC1 ZINC000541721069 390245501 /nfs/dbraw/zinc/24/55/01/390245501.db2.gz PLHKWXPMDGESOJ-CYBMUJFWSA-N 2 2 282.432 0.175 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]Cc1cc2c([nH]c1=O)CCC2)C1CC1 ZINC000644564124 390253753 /nfs/dbraw/zinc/25/37/53/390253753.db2.gz XLQFFLZTQIPYKM-CQSZACIVSA-N 2 2 291.395 0.821 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1cc2c([nH]c1=O)CCC2)C1CC1 ZINC000644564124 390253756 /nfs/dbraw/zinc/25/37/56/390253756.db2.gz XLQFFLZTQIPYKM-CQSZACIVSA-N 2 2 291.395 0.821 20 0 CCADLP CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)CC ZINC000582070195 390258488 /nfs/dbraw/zinc/25/84/88/390258488.db2.gz BTZFHRDKEVBVGI-ZIAGYGMSSA-N 2 2 285.432 0.632 20 0 CCADLP CCN(CC)C(=O)[C@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)CC ZINC000582070195 390258490 /nfs/dbraw/zinc/25/84/90/390258490.db2.gz BTZFHRDKEVBVGI-ZIAGYGMSSA-N 2 2 285.432 0.632 20 0 CCADLP CCN(CC)C(=O)[C@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)CC ZINC000582070195 390258492 /nfs/dbraw/zinc/25/84/92/390258492.db2.gz BTZFHRDKEVBVGI-ZIAGYGMSSA-N 2 2 285.432 0.632 20 0 CCADLP CCN(CC)C(=O)[C@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)CC ZINC000582070195 390258495 /nfs/dbraw/zinc/25/84/95/390258495.db2.gz BTZFHRDKEVBVGI-ZIAGYGMSSA-N 2 2 285.432 0.632 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)CCO1 ZINC000582189298 390268137 /nfs/dbraw/zinc/26/81/37/390268137.db2.gz LTJKMXWJODWRIO-ZIAGYGMSSA-N 2 2 278.400 0.930 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)CCO1 ZINC000582189298 390268139 /nfs/dbraw/zinc/26/81/39/390268139.db2.gz LTJKMXWJODWRIO-ZIAGYGMSSA-N 2 2 278.400 0.930 20 0 CCADLP CCn1cc[nH+]c1CN1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000648064954 390268923 /nfs/dbraw/zinc/26/89/23/390268923.db2.gz POEVHAYBSIDCNH-LBPRGKRZSA-N 2 2 279.388 0.455 20 0 CCADLP C[C@@H]1CC[N@H+](CCNC(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000542964253 390277312 /nfs/dbraw/zinc/27/73/12/390277312.db2.gz JVRFTCLEWBIGIJ-CQSZACIVSA-N 2 2 295.427 0.699 20 0 CCADLP C[C@@H]1CC[N@@H+](CCNC(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000542964253 390277315 /nfs/dbraw/zinc/27/73/15/390277315.db2.gz JVRFTCLEWBIGIJ-CQSZACIVSA-N 2 2 295.427 0.699 20 0 CCADLP CCC(CC)(NC(=O)[C@H]([NH3+])CC[NH+](C)C)C(=O)OC ZINC000593909690 390366817 /nfs/dbraw/zinc/36/68/17/390366817.db2.gz KMXLTOXTUSWHDU-SNVBAGLBSA-N 2 2 273.377 0.113 20 0 CCADLP C[C@H](C(=O)N1CCCC[C@H]1C[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000544488013 390304225 /nfs/dbraw/zinc/30/42/25/390304225.db2.gz QGYMEUHIIWXPGY-CABCVRRESA-N 2 2 296.459 0.565 20 0 CCADLP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000648151854 390313407 /nfs/dbraw/zinc/31/34/07/390313407.db2.gz ULRGQFFRCFHDFI-KXNHARMFSA-N 2 2 260.341 0.929 20 0 CCADLP C[N@@H+]1C[C@@H]2CCN(C(=O)C3([NH+]4CCOCC4)CCC3)[C@@H]2C1 ZINC000644813092 390319622 /nfs/dbraw/zinc/31/96/22/390319622.db2.gz GFMNKHHNPADLFZ-UONOGXRCSA-N 2 2 293.411 0.404 20 0 CCADLP C[N@H+]1C[C@@H]2CCN(C(=O)C3([NH+]4CCOCC4)CCC3)[C@@H]2C1 ZINC000644813092 390319624 /nfs/dbraw/zinc/31/96/24/390319624.db2.gz GFMNKHHNPADLFZ-UONOGXRCSA-N 2 2 293.411 0.404 20 0 CCADLP C[C@@H](CCCC[NH3+])NC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000583935318 390325340 /nfs/dbraw/zinc/32/53/40/390325340.db2.gz GMSQJRGAIAJPQJ-STQMWFEESA-N 2 2 270.421 0.256 20 0 CCADLP c1nnn(Cc2ccccc2)c1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000644833406 390329492 /nfs/dbraw/zinc/32/94/92/390329492.db2.gz JPVQCZKTEYRIOO-GJZGRUSLSA-N 2 2 283.379 0.978 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCC(=O)OC(C)(C)C ZINC000584477487 390347805 /nfs/dbraw/zinc/34/78/05/390347805.db2.gz IWGCSUNVXSOGOY-GFCCVEGCSA-N 2 2 274.405 0.963 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCC(=O)OC(C)(C)C ZINC000584477487 390347807 /nfs/dbraw/zinc/34/78/07/390347807.db2.gz IWGCSUNVXSOGOY-GFCCVEGCSA-N 2 2 274.405 0.963 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCC(=O)OC(C)(C)C ZINC000584477487 390347812 /nfs/dbraw/zinc/34/78/12/390347812.db2.gz IWGCSUNVXSOGOY-GFCCVEGCSA-N 2 2 274.405 0.963 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000584477487 390347817 /nfs/dbraw/zinc/34/78/17/390347817.db2.gz IWGCSUNVXSOGOY-GFCCVEGCSA-N 2 2 274.405 0.963 20 0 CCADLP CNC(=O)[C@H](CCSC)[NH2+]Cc1c[nH+]c(C)n1C ZINC000584480651 390349145 /nfs/dbraw/zinc/34/91/45/390349145.db2.gz JHOMTSYYANOURF-NSHDSACASA-N 2 2 270.402 0.686 20 0 CCADLP O[C@@H](CNC[C@@H]1CCCC[N@@H+]1C1CC1)C[NH+]1CCOCC1 ZINC000584525612 390352231 /nfs/dbraw/zinc/35/22/31/390352231.db2.gz SSSKGSSQCIEHPD-HOTGVXAUSA-N 2 2 297.443 0.286 20 0 CCADLP O[C@@H](CNC[C@@H]1CCCC[N@H+]1C1CC1)C[NH+]1CCOCC1 ZINC000584525612 390352235 /nfs/dbraw/zinc/35/22/35/390352235.db2.gz SSSKGSSQCIEHPD-HOTGVXAUSA-N 2 2 297.443 0.286 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[NH+]1CCCCC1 ZINC000547864165 390405677 /nfs/dbraw/zinc/40/56/77/390405677.db2.gz RFBULMMGTHQLGK-UHFFFAOYSA-N 2 2 250.346 0.565 20 0 CCADLP CC1CC[NH+](CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC000547864010 390406218 /nfs/dbraw/zinc/40/62/18/390406218.db2.gz WZDQHULSSVKRFB-UHFFFAOYSA-N 2 2 264.373 0.811 20 0 CCADLP C[C@H](CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1)[N@H+](C)C1CC1 ZINC000548001582 390413863 /nfs/dbraw/zinc/41/38/63/390413863.db2.gz ROZHSLNJTAPNOV-VXGBXAGGSA-N 2 2 291.399 0.980 20 0 CCADLP C[C@H](CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1)[N@@H+](C)C1CC1 ZINC000548001582 390413865 /nfs/dbraw/zinc/41/38/65/390413865.db2.gz ROZHSLNJTAPNOV-VXGBXAGGSA-N 2 2 291.399 0.980 20 0 CCADLP O[C@@H]1COC[C@@H]1[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000643377745 390436659 /nfs/dbraw/zinc/43/66/59/390436659.db2.gz YVNKYNLPEPOFPR-TUKIKUTGSA-N 2 2 277.368 0.768 20 0 CCADLP O[C@@H]1COC[C@@H]1[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000643377745 390436663 /nfs/dbraw/zinc/43/66/63/390436663.db2.gz YVNKYNLPEPOFPR-TUKIKUTGSA-N 2 2 277.368 0.768 20 0 CCADLP Cc1cc[nH+]cc1N1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000547422517 390373035 /nfs/dbraw/zinc/37/30/35/390373035.db2.gz WJDOVQRXFNNEMZ-CQSZACIVSA-N 2 2 288.395 0.990 20 0 CCADLP Cc1cc[nH+]cc1N1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000547422517 390373037 /nfs/dbraw/zinc/37/30/37/390373037.db2.gz WJDOVQRXFNNEMZ-CQSZACIVSA-N 2 2 288.395 0.990 20 0 CCADLP Cc1nc(N)c(CNC(=O)[C@H]2CCCC[N@H+]2C)c[nH+]1 ZINC000648901946 390439957 /nfs/dbraw/zinc/43/99/57/390439957.db2.gz QVNFHKKVBLVSMZ-LLVKDONJSA-N 2 2 263.345 0.298 20 0 CCADLP Cc1nc(N)c(CNC(=O)[C@H]2CCCC[N@@H+]2C)c[nH+]1 ZINC000648901946 390439960 /nfs/dbraw/zinc/43/99/60/390439960.db2.gz QVNFHKKVBLVSMZ-LLVKDONJSA-N 2 2 263.345 0.298 20 0 CCADLP CC(C)NC(=O)NCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000645802548 390496969 /nfs/dbraw/zinc/49/69/69/390496969.db2.gz UWZBSTWXUSDBNU-GFCCVEGCSA-N 2 2 256.394 0.578 20 0 CCADLP CC(C)NC(=O)NCC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000645802548 390496972 /nfs/dbraw/zinc/49/69/72/390496972.db2.gz UWZBSTWXUSDBNU-GFCCVEGCSA-N 2 2 256.394 0.578 20 0 CCADLP CC1(C)C[NH+](CC(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000519422069 390501112 /nfs/dbraw/zinc/50/11/12/390501112.db2.gz KGZOAWILHFLTDL-UHFFFAOYSA-N 2 2 269.389 0.167 20 0 CCADLP CC1(C)C[NH+](CC(=O)NCC[N@H+]2CCCOCC2)C1 ZINC000519422069 390501114 /nfs/dbraw/zinc/50/11/14/390501114.db2.gz KGZOAWILHFLTDL-UHFFFAOYSA-N 2 2 269.389 0.167 20 0 CCADLP COCC[NH2+]C1CC[NH+](CC(=O)N(C)C2CC2)CC1 ZINC000565427094 390513622 /nfs/dbraw/zinc/51/36/22/390513622.db2.gz OBFNAHGBFOAMAK-UHFFFAOYSA-N 2 2 269.389 0.308 20 0 CCADLP CCOCC[C@H](O)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000519596533 390515127 /nfs/dbraw/zinc/51/51/27/390515127.db2.gz JPGLJLDCIYZTKR-RYUDHWBXSA-N 2 2 253.346 0.575 20 0 CCADLP CO[C@H]1C[C@@H](CN(C)[C@H](C)C[NH+]2CCOCC2)[N@H+](C)C1 ZINC000497513230 390457008 /nfs/dbraw/zinc/45/70/08/390457008.db2.gz ZRZWKGJRDIZTQZ-ILXRZTDVSA-N 2 2 285.432 0.358 20 0 CCADLP CO[C@H]1C[C@@H](CN(C)[C@H](C)C[NH+]2CCOCC2)[N@@H+](C)C1 ZINC000497513230 390457011 /nfs/dbraw/zinc/45/70/11/390457011.db2.gz ZRZWKGJRDIZTQZ-ILXRZTDVSA-N 2 2 285.432 0.358 20 0 CCADLP CO[C@H]1C[C@@H](CN(C)CC[N@@H+]2CCOC[C@H]2C)[NH+](C)C1 ZINC000497518733 390457103 /nfs/dbraw/zinc/45/71/03/390457103.db2.gz KBQWFJUFTIULOU-ILXRZTDVSA-N 2 2 285.432 0.358 20 0 CCADLP CO[C@H]1C[C@@H](CN(C)CC[N@H+]2CCOC[C@H]2C)[NH+](C)C1 ZINC000497518733 390457106 /nfs/dbraw/zinc/45/71/06/390457106.db2.gz KBQWFJUFTIULOU-ILXRZTDVSA-N 2 2 285.432 0.358 20 0 CCADLP CO[C@H]1C[C@@H](CN(C)CC[NH+]2CCOC[C@H]2C)[N@H+](C)C1 ZINC000497518733 390457108 /nfs/dbraw/zinc/45/71/08/390457108.db2.gz KBQWFJUFTIULOU-ILXRZTDVSA-N 2 2 285.432 0.358 20 0 CCADLP CO[C@H]1C[C@@H](CN(C)CC[NH+]2CCOC[C@H]2C)[N@@H+](C)C1 ZINC000497518733 390457109 /nfs/dbraw/zinc/45/71/09/390457109.db2.gz KBQWFJUFTIULOU-ILXRZTDVSA-N 2 2 285.432 0.358 20 0 CCADLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@@H+]([C@@H]2COC[C@H]2O)C1 ZINC000556259029 390477207 /nfs/dbraw/zinc/47/72/07/390477207.db2.gz NMNUHWLGLSLRLL-JHJVBQTASA-N 2 2 293.367 0.360 20 0 CCADLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@H+]([C@@H]2COC[C@H]2O)C1 ZINC000556259029 390477210 /nfs/dbraw/zinc/47/72/10/390477210.db2.gz NMNUHWLGLSLRLL-JHJVBQTASA-N 2 2 293.367 0.360 20 0 CCADLP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000565589079 390526647 /nfs/dbraw/zinc/52/66/47/390526647.db2.gz YMZQVYTUFPGZHG-RDBSUJKOSA-N 3 2 297.447 0.144 20 0 CCADLP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000565589079 390526649 /nfs/dbraw/zinc/52/66/49/390526649.db2.gz YMZQVYTUFPGZHG-RDBSUJKOSA-N 3 2 297.447 0.144 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000565599117 390528355 /nfs/dbraw/zinc/52/83/55/390528355.db2.gz KQMSWBZLACVRNX-IIAWOOMASA-N 2 2 295.427 0.746 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000565599117 390528357 /nfs/dbraw/zinc/52/83/57/390528357.db2.gz KQMSWBZLACVRNX-IIAWOOMASA-N 2 2 295.427 0.746 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)CCCC[NH3+] ZINC000645926821 390532445 /nfs/dbraw/zinc/53/24/45/390532445.db2.gz YEZXDBPSEHXGOT-UHFFFAOYSA-N 2 2 257.378 0.342 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)CCCC[NH3+] ZINC000645926821 390532447 /nfs/dbraw/zinc/53/24/47/390532447.db2.gz YEZXDBPSEHXGOT-UHFFFAOYSA-N 2 2 257.378 0.342 20 0 CCADLP O=c1cc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)occ1O ZINC000565666055 390534650 /nfs/dbraw/zinc/53/46/50/390534650.db2.gz OZOZMLLYGUKDCG-UHFFFAOYSA-N 2 2 276.296 0.391 20 0 CCADLP O=C(NCCCNc1cccc[nH+]1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649298141 390559192 /nfs/dbraw/zinc/55/91/92/390559192.db2.gz USNBBBUWKWHXGO-UTUOFQBUSA-N 2 2 260.341 0.750 20 0 CCADLP O=C(NCC[NH+]1Cc2ccccc2C1)[C@@H]1C[NH2+]CCO1 ZINC000649306271 390567080 /nfs/dbraw/zinc/56/70/80/390567080.db2.gz JHSTVQLDXIRCSK-AWEZNQCLSA-N 2 2 275.352 0.107 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000646010649 390568256 /nfs/dbraw/zinc/56/82/56/390568256.db2.gz YSNSQBZSEGVVRI-CHWSQXEVSA-N 2 2 264.373 0.952 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2CCO[C@@H]2C2CC2)C[C@H](C)O1 ZINC000566061597 390571010 /nfs/dbraw/zinc/57/10/10/390571010.db2.gz MPLKMHATDHGQFY-UDUPFKKZSA-N 2 2 298.427 0.614 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2CCO[C@@H]2C2CC2)C[C@H](C)O1 ZINC000566061597 390571013 /nfs/dbraw/zinc/57/10/13/390571013.db2.gz MPLKMHATDHGQFY-UDUPFKKZSA-N 2 2 298.427 0.614 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CCC(C)(C)[NH3+] ZINC000649320521 390577301 /nfs/dbraw/zinc/57/73/01/390577301.db2.gz HNNHSQWXPHXZEK-LLVKDONJSA-N 2 2 257.378 0.341 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)CCC(C)(C)[NH3+] ZINC000649320521 390577305 /nfs/dbraw/zinc/57/73/05/390577305.db2.gz HNNHSQWXPHXZEK-LLVKDONJSA-N 2 2 257.378 0.341 20 0 CCADLP [NH3+]CCC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000646033835 390577879 /nfs/dbraw/zinc/57/78/79/390577879.db2.gz SGAKOOZMIGHHCD-UHFFFAOYSA-N 2 2 258.325 0.534 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000522013565 390622213 /nfs/dbraw/zinc/62/22/13/390622213.db2.gz IQYJRSOJEQDJTG-SNVBAGLBSA-N 2 2 265.361 0.844 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000522013565 390622214 /nfs/dbraw/zinc/62/22/14/390622214.db2.gz IQYJRSOJEQDJTG-SNVBAGLBSA-N 2 2 265.361 0.844 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000566508970 390625482 /nfs/dbraw/zinc/62/54/82/390625482.db2.gz NUYDGXVGBZYWCV-QJPTWQEYSA-N 2 2 277.372 0.939 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000566508970 390625484 /nfs/dbraw/zinc/62/54/84/390625484.db2.gz NUYDGXVGBZYWCV-QJPTWQEYSA-N 2 2 277.372 0.939 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCOCC(F)F)C[C@H](C)O1 ZINC000566733538 390641623 /nfs/dbraw/zinc/64/16/23/390641623.db2.gz DHESZEUZMKFOBG-TUAOUCFPSA-N 2 2 296.358 0.328 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCOCC(F)F)C[C@H](C)O1 ZINC000566733538 390641628 /nfs/dbraw/zinc/64/16/28/390641628.db2.gz DHESZEUZMKFOBG-TUAOUCFPSA-N 2 2 296.358 0.328 20 0 CCADLP CC1(C)C[NH2+][C@H]1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000646241731 390647562 /nfs/dbraw/zinc/64/75/62/390647562.db2.gz GKYQHLJEBJVEFJ-LBPRGKRZSA-N 2 2 258.325 0.949 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2C[C@H]3CCCCN3C2=O)n1C ZINC000521229045 390600422 /nfs/dbraw/zinc/60/04/22/390600422.db2.gz NHVQGJGUAFZCBQ-YPMHNXCESA-N 2 2 291.399 0.729 20 0 CCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000646124717 390611022 /nfs/dbraw/zinc/61/10/22/390611022.db2.gz UUDCWAZRYULRMA-PWSUYJOCSA-N 2 2 282.413 0.943 20 0 CCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000646124717 390611025 /nfs/dbraw/zinc/61/10/25/390611025.db2.gz UUDCWAZRYULRMA-PWSUYJOCSA-N 2 2 282.413 0.943 20 0 CCADLP [NH3+]C[C@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000646670100 390707044 /nfs/dbraw/zinc/70/70/44/390707044.db2.gz CBUJPYBGCQIDNY-TZMCWYRMSA-N 2 2 281.400 0.437 20 0 CCADLP [NH3+]C[C@H]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000646670100 390707046 /nfs/dbraw/zinc/70/70/46/390707046.db2.gz CBUJPYBGCQIDNY-TZMCWYRMSA-N 2 2 281.400 0.437 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000567618941 390707331 /nfs/dbraw/zinc/70/73/31/390707331.db2.gz GDRBNLPQBSGVTO-OAHLLOKOSA-N 2 2 281.375 0.918 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C1CCCC1 ZINC000646831926 390725381 /nfs/dbraw/zinc/72/53/81/390725381.db2.gz JSONZTLZWUDZNZ-WCQYABFASA-N 2 2 253.390 0.914 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C1CCCC1 ZINC000646831926 390725382 /nfs/dbraw/zinc/72/53/82/390725382.db2.gz JSONZTLZWUDZNZ-WCQYABFASA-N 2 2 253.390 0.914 20 0 CCADLP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+]([C@H]2COC[C@H]2O)C1 ZINC000567007424 390665231 /nfs/dbraw/zinc/66/52/31/390665231.db2.gz GMYJGGMXJLEUFH-OWCLPIDISA-N 2 2 291.395 0.595 20 0 CCADLP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+]([C@H]2COC[C@H]2O)C1 ZINC000567007424 390665234 /nfs/dbraw/zinc/66/52/34/390665234.db2.gz GMYJGGMXJLEUFH-OWCLPIDISA-N 2 2 291.395 0.595 20 0 CCADLP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+]([C@H]2COC[C@H]2O)C1 ZINC000567007424 390665238 /nfs/dbraw/zinc/66/52/38/390665238.db2.gz GMYJGGMXJLEUFH-OWCLPIDISA-N 2 2 291.395 0.595 20 0 CCADLP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+]([C@H]2COC[C@H]2O)C1 ZINC000567007424 390665240 /nfs/dbraw/zinc/66/52/40/390665240.db2.gz GMYJGGMXJLEUFH-OWCLPIDISA-N 2 2 291.395 0.595 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000567167385 390676751 /nfs/dbraw/zinc/67/67/51/390676751.db2.gz RGADEKRVOPFCCV-NWDGAFQWSA-N 2 2 262.419 0.726 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000567167385 390676753 /nfs/dbraw/zinc/67/67/53/390676753.db2.gz RGADEKRVOPFCCV-NWDGAFQWSA-N 2 2 262.419 0.726 20 0 CCADLP Cc1nc(N2CCN(C(=O)C[C@H]3CC[NH2+]C3)CC2)cc[nH+]1 ZINC000646481806 390687901 /nfs/dbraw/zinc/68/79/01/390687901.db2.gz QKQKDFCUGDFHQQ-CYBMUJFWSA-N 2 2 289.383 0.433 20 0 CCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)COCC[NH3+])CC1 ZINC000646508847 390689310 /nfs/dbraw/zinc/68/93/10/390689310.db2.gz RJBUJXFGGHQMLL-GFCCVEGCSA-N 2 2 297.424 0.929 20 0 CCADLP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000527033998 390689390 /nfs/dbraw/zinc/68/93/90/390689390.db2.gz YOYNDPOMOLLFQM-OCCSQVGLSA-N 2 2 278.400 0.844 20 0 CCADLP CCCn1cc[nH+]c1CCCN(C)C(=O)COCC[NH3+] ZINC000646526065 390690112 /nfs/dbraw/zinc/69/01/12/390690112.db2.gz SRODCZXCDGYWKO-UHFFFAOYSA-N 2 2 282.388 0.659 20 0 CCADLP CC[N@H+](CCNC(=O)[C@@H]([NH3+])c1cscn1)C(C)C ZINC000567348383 390693747 /nfs/dbraw/zinc/69/37/47/390693747.db2.gz BGBUTWSIGWHREP-NSHDSACASA-N 2 2 270.402 0.989 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@@H]([NH3+])c1cscn1)C(C)C ZINC000567348383 390693749 /nfs/dbraw/zinc/69/37/49/390693749.db2.gz BGBUTWSIGWHREP-NSHDSACASA-N 2 2 270.402 0.989 20 0 CCADLP [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000646997538 390755779 /nfs/dbraw/zinc/75/57/79/390755779.db2.gz XVXHFGTXESNPPP-QWRGUYRKSA-N 2 2 286.339 0.662 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000571895112 390758326 /nfs/dbraw/zinc/75/83/26/390758326.db2.gz OYUCABJIIIJISJ-CQSZACIVSA-N 2 2 277.372 0.990 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000571895112 390758328 /nfs/dbraw/zinc/75/83/28/390758328.db2.gz OYUCABJIIIJISJ-CQSZACIVSA-N 2 2 277.372 0.990 20 0 CCADLP COc1c(N)nc[nH+]c1N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000571895112 390758330 /nfs/dbraw/zinc/75/83/30/390758330.db2.gz OYUCABJIIIJISJ-CQSZACIVSA-N 2 2 277.372 0.990 20 0 CCADLP COc1c(N)nc[nH+]c1N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000571895112 390758333 /nfs/dbraw/zinc/75/83/33/390758333.db2.gz OYUCABJIIIJISJ-CQSZACIVSA-N 2 2 277.372 0.990 20 0 CCADLP C[C@]1(F)C[NH2+]CCN(c2nc[nH+]c(N)c2Cl)C1 ZINC000571986386 390762089 /nfs/dbraw/zinc/76/20/89/390762089.db2.gz ADNPYYFQYNZQHU-JTQLQIEISA-N 2 2 259.716 0.850 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)NCCCn1cc[nH+]c1 ZINC000572034174 390764829 /nfs/dbraw/zinc/76/48/29/390764829.db2.gz XPINDODBUJJZRJ-QWRGUYRKSA-N 2 2 253.350 0.698 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000528660121 390766501 /nfs/dbraw/zinc/76/65/01/390766501.db2.gz ASUWRCPVVQGELC-CQSZACIVSA-N 2 2 292.383 0.372 20 0 CCADLP Cc1cc(NC(=O)CC[NH+]2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)no1 ZINC000572100367 390767121 /nfs/dbraw/zinc/76/71/21/390767121.db2.gz REIQWPQRPHCFGV-QWHCGFSZSA-N 2 2 292.383 0.902 20 0 CCADLP Cc1cc(NC(=O)CC[NH+]2[C@@H]3CC[C@H]2CC[N@H+](C)C3)no1 ZINC000572100367 390767123 /nfs/dbraw/zinc/76/71/23/390767123.db2.gz REIQWPQRPHCFGV-QWHCGFSZSA-N 2 2 292.383 0.902 20 0 CCADLP Cc1cc(NC(=O)CC[N@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)no1 ZINC000572100367 390767125 /nfs/dbraw/zinc/76/71/25/390767125.db2.gz REIQWPQRPHCFGV-QWHCGFSZSA-N 2 2 292.383 0.902 20 0 CCADLP Cc1cc(NC(=O)CC[N@@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)no1 ZINC000572100367 390767127 /nfs/dbraw/zinc/76/71/27/390767127.db2.gz REIQWPQRPHCFGV-QWHCGFSZSA-N 2 2 292.383 0.902 20 0 CCADLP CC1([NH+]2CCOCC2)CC[NH+](C[C@H]2COCCO2)CC1 ZINC000528730222 390772072 /nfs/dbraw/zinc/77/20/72/390772072.db2.gz SHKHYCSJKOBVEC-AWEZNQCLSA-N 2 2 284.400 0.589 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528781251 390777525 /nfs/dbraw/zinc/77/75/25/390777525.db2.gz BBKGCMNRZUBENL-YFQWEKLQSA-N 2 2 274.430 0.284 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528781251 390777527 /nfs/dbraw/zinc/77/75/27/390777527.db2.gz BBKGCMNRZUBENL-YFQWEKLQSA-N 2 2 274.430 0.284 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528781251 390777528 /nfs/dbraw/zinc/77/75/28/390777528.db2.gz BBKGCMNRZUBENL-YFQWEKLQSA-N 2 2 274.430 0.284 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528781251 390777530 /nfs/dbraw/zinc/77/75/30/390777530.db2.gz BBKGCMNRZUBENL-YFQWEKLQSA-N 2 2 274.430 0.284 20 0 CCADLP COc1ncncc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000647203521 390787857 /nfs/dbraw/zinc/78/78/57/390787857.db2.gz IOOTYKCWXRRBBG-LLVKDONJSA-N 2 2 259.313 0.786 20 0 CCADLP CC(C)[C@H](NC(=O)C[NH2+]C[C@@H]1CCCO1)c1[nH]cc[nH+]1 ZINC000572639045 390793960 /nfs/dbraw/zinc/79/39/60/390793960.db2.gz KNJQNVPCEPWGMK-AAEUAGOBSA-N 2 2 280.372 0.992 20 0 CCADLP CCc1cccc(OC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+](C)C)c1 ZINC000572643166 390794500 /nfs/dbraw/zinc/79/45/00/390794500.db2.gz LLTNFWICZGCEOM-CABCVRRESA-N 2 2 296.411 0.501 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C12CCC2)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000529323206 390807595 /nfs/dbraw/zinc/80/75/95/390807595.db2.gz DIIALXSWXJBJFZ-GWCFXTLKSA-N 2 2 289.383 0.851 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C12CCC2)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000529323206 390807598 /nfs/dbraw/zinc/80/75/98/390807598.db2.gz DIIALXSWXJBJFZ-GWCFXTLKSA-N 2 2 289.383 0.851 20 0 CCADLP CNC(=O)c1ccc(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000572689618 390797195 /nfs/dbraw/zinc/79/71/95/390797195.db2.gz BVMIRZVULBEHQA-OAHLLOKOSA-N 2 2 291.395 0.591 20 0 CCADLP CNC(=O)c1ccc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000572689618 390797197 /nfs/dbraw/zinc/79/71/97/390797197.db2.gz BVMIRZVULBEHQA-OAHLLOKOSA-N 2 2 291.395 0.591 20 0 CCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCCn1cc[nH+]c1 ZINC000529286508 390801434 /nfs/dbraw/zinc/80/14/34/390801434.db2.gz USURNYJTZDBOBB-GFCCVEGCSA-N 2 2 265.361 0.523 20 0 CCADLP O=C(NCc1cn2ccccc2[nH+]1)NC[C@@H]1COCC[NH2+]1 ZINC000529287666 390802073 /nfs/dbraw/zinc/80/20/73/390802073.db2.gz ZPXVQHIWVRSUDE-GFCCVEGCSA-N 2 2 289.339 0.122 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1c2ccccc2C[C@@H]1O)C1CC1 ZINC000571524127 390739596 /nfs/dbraw/zinc/73/95/96/390739596.db2.gz RBXAIHHAVKCIOV-VNQPRFMTSA-N 2 2 276.380 0.689 20 0 CCADLP C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC000646917648 390740558 /nfs/dbraw/zinc/74/05/58/390740558.db2.gz CRCKUPWJQGAGEI-MBNYWOFBSA-N 2 2 274.368 0.608 20 0 CCADLP C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC000646917648 390740560 /nfs/dbraw/zinc/74/05/60/390740560.db2.gz CRCKUPWJQGAGEI-MBNYWOFBSA-N 2 2 274.368 0.608 20 0 CCADLP C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)nn3)[C@H]2C1 ZINC000646922079 390741636 /nfs/dbraw/zinc/74/16/36/390741636.db2.gz JKCFQOCMGNAGJI-YPMHNXCESA-N 2 2 298.350 0.438 20 0 CCADLP C[N@H+]1C[C@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)nn3)[C@H]2C1 ZINC000646922079 390741638 /nfs/dbraw/zinc/74/16/38/390741638.db2.gz JKCFQOCMGNAGJI-YPMHNXCESA-N 2 2 298.350 0.438 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCOC2(CCOCC2)C1 ZINC000571578198 390742801 /nfs/dbraw/zinc/74/28/01/390742801.db2.gz GLHHLRGIFXKQDI-ZDUSSCGKSA-N 2 2 272.389 0.180 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCOC2(CCOCC2)C1 ZINC000571578198 390742803 /nfs/dbraw/zinc/74/28/03/390742803.db2.gz GLHHLRGIFXKQDI-ZDUSSCGKSA-N 2 2 272.389 0.180 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000571578198 390742804 /nfs/dbraw/zinc/74/28/04/390742804.db2.gz GLHHLRGIFXKQDI-ZDUSSCGKSA-N 2 2 272.389 0.180 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCOC2(CCOCC2)C1 ZINC000571578198 390742807 /nfs/dbraw/zinc/74/28/07/390742807.db2.gz GLHHLRGIFXKQDI-ZDUSSCGKSA-N 2 2 272.389 0.180 20 0 CCADLP [NH3+]CCC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000571637253 390745426 /nfs/dbraw/zinc/74/54/26/390745426.db2.gz BOJNVKLBZIYESW-UHFFFAOYSA-N 2 2 268.386 0.526 20 0 CCADLP [NH3+]CCC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000571637253 390745429 /nfs/dbraw/zinc/74/54/29/390745429.db2.gz BOJNVKLBZIYESW-UHFFFAOYSA-N 2 2 268.386 0.526 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@H]2CCCc3cccnc32)[C@H](C[NH3+])C1 ZINC000571678526 390748390 /nfs/dbraw/zinc/74/83/90/390748390.db2.gz RFDMBKWKKHZJHS-KGLIPLIRSA-N 2 2 288.395 0.603 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]2CCCc3cccnc32)[C@H](C[NH3+])C1 ZINC000571678526 390748391 /nfs/dbraw/zinc/74/83/91/390748391.db2.gz RFDMBKWKKHZJHS-KGLIPLIRSA-N 2 2 288.395 0.603 20 0 CCADLP C[C@H]1C[N@H+](CCC[NH2+]C[C@H](O)C[NH+](C)C2CC2)CCCO1 ZINC000572993103 390817698 /nfs/dbraw/zinc/81/76/98/390817698.db2.gz NXCZDIJUXXYXPP-HOCLYGCPSA-N 3 2 299.459 0.532 20 0 CCADLP C[C@H]1C[N@@H+](CCC[NH2+]C[C@H](O)C[NH+](C)C2CC2)CCCO1 ZINC000572993103 390817699 /nfs/dbraw/zinc/81/76/99/390817699.db2.gz NXCZDIJUXXYXPP-HOCLYGCPSA-N 3 2 299.459 0.532 20 0 CCADLP C[C@H]1C[NH+](CCC[NH2+]C[C@H](O)C[N@H+](C)C2CC2)CCCO1 ZINC000572993103 390817702 /nfs/dbraw/zinc/81/77/02/390817702.db2.gz NXCZDIJUXXYXPP-HOCLYGCPSA-N 3 2 299.459 0.532 20 0 CCADLP C[C@H]1C[NH+](CCC[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CCCO1 ZINC000572993103 390817704 /nfs/dbraw/zinc/81/77/04/390817704.db2.gz NXCZDIJUXXYXPP-HOCLYGCPSA-N 3 2 299.459 0.532 20 0 CCADLP CO[C@@H]1CCN(Cc2cc[nH+]c(N)c2)[C@H](C[NH3+])C1 ZINC000573001183 390819344 /nfs/dbraw/zinc/81/93/44/390819344.db2.gz HBSYPGQSSVKKLK-NWDGAFQWSA-N 2 2 250.346 0.432 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CC2(C)COC2)C[C@H](C)O1 ZINC000574911885 390823879 /nfs/dbraw/zinc/82/38/79/390823879.db2.gz HWWQUYBOJBPADV-FRRDWIJNSA-N 2 2 272.389 0.083 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CC2(C)COC2)C[C@H](C)O1 ZINC000574911885 390823881 /nfs/dbraw/zinc/82/38/81/390823881.db2.gz HWWQUYBOJBPADV-FRRDWIJNSA-N 2 2 272.389 0.083 20 0 CCADLP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cn(Cc2cccnc2)nn1 ZINC000578358502 390879448 /nfs/dbraw/zinc/87/94/48/390879448.db2.gz DZNJAXLPPJCHHT-NEPJUHHUSA-N 2 2 274.372 0.937 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2COCC2(C)C)C[C@H](C)O1 ZINC000575086303 335063532 /nfs/dbraw/zinc/06/35/32/335063532.db2.gz SCBRBTWJYHWKNE-XJFOESAGSA-N 2 2 286.416 0.471 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2COCC2(C)C)C[C@H](C)O1 ZINC000575086303 335063533 /nfs/dbraw/zinc/06/35/33/335063533.db2.gz SCBRBTWJYHWKNE-XJFOESAGSA-N 2 2 286.416 0.471 20 0 CCADLP NC(=O)CC[NH2+]C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000647532359 390835057 /nfs/dbraw/zinc/83/50/57/390835057.db2.gz VLLPEZCSBNZNTC-ZIAGYGMSSA-N 2 2 277.368 0.087 20 0 CCADLP NC(=O)CC[NH2+]C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000647532359 390835060 /nfs/dbraw/zinc/83/50/60/390835060.db2.gz VLLPEZCSBNZNTC-ZIAGYGMSSA-N 2 2 277.368 0.087 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+][C@@H]2CCC[C@@H]2CO)C[C@H](C)O1 ZINC000647537022 390835574 /nfs/dbraw/zinc/83/55/74/390835574.db2.gz ARDJEFDDPJAEGW-QKGCVVFFSA-N 2 2 286.416 0.207 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+][C@@H]2CCC[C@@H]2CO)C[C@H](C)O1 ZINC000647537022 390835578 /nfs/dbraw/zinc/83/55/78/390835578.db2.gz ARDJEFDDPJAEGW-QKGCVVFFSA-N 2 2 286.416 0.207 20 0 CCADLP C[C@H]1C[NH2+]C[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000647548160 390839917 /nfs/dbraw/zinc/83/99/17/390839917.db2.gz WYSHJVBQZNJJDT-YHNBSYBMSA-N 3 2 280.460 0.790 20 0 CCADLP C[C@H]1C[NH2+]C[C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C1 ZINC000647548160 390839918 /nfs/dbraw/zinc/83/99/18/390839918.db2.gz WYSHJVBQZNJJDT-YHNBSYBMSA-N 3 2 280.460 0.790 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@@H](O)Cc1ccccc1 ZINC000578375890 390880888 /nfs/dbraw/zinc/88/08/88/390880888.db2.gz JSDZIFKIRWTTCA-JKSUJKDBSA-N 2 2 280.412 0.834 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@@H](O)Cc1ccccc1 ZINC000578375890 390880890 /nfs/dbraw/zinc/88/08/90/390880890.db2.gz JSDZIFKIRWTTCA-JKSUJKDBSA-N 2 2 280.412 0.834 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000578375890 390880893 /nfs/dbraw/zinc/88/08/93/390880893.db2.gz JSDZIFKIRWTTCA-JKSUJKDBSA-N 2 2 280.412 0.834 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000578375890 390880897 /nfs/dbraw/zinc/88/08/97/390880897.db2.gz JSDZIFKIRWTTCA-JKSUJKDBSA-N 2 2 280.412 0.834 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000647625235 390852933 /nfs/dbraw/zinc/85/29/33/390852933.db2.gz ZCRUSFYWWCHBRW-AWEZNQCLSA-N 2 2 280.372 0.188 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000577940400 390853536 /nfs/dbraw/zinc/85/35/36/390853536.db2.gz JQOSCLCQKWNKOL-GJZGRUSLSA-N 3 2 296.459 0.648 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000577940400 390853540 /nfs/dbraw/zinc/85/35/40/390853540.db2.gz JQOSCLCQKWNKOL-GJZGRUSLSA-N 3 2 296.459 0.648 20 0 CCADLP COCCCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000419387871 533251704 /nfs/dbraw/zinc/25/17/04/533251704.db2.gz RKOYBTIMOVYSCU-UHFFFAOYSA-N 2 2 257.378 0.119 20 0 CCADLP COCCCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000419387871 533251711 /nfs/dbraw/zinc/25/17/11/533251711.db2.gz RKOYBTIMOVYSCU-UHFFFAOYSA-N 2 2 257.378 0.119 20 0 CCADLP CC1CC([NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000578435949 390883766 /nfs/dbraw/zinc/88/37/66/390883766.db2.gz ZBNLIXKWDWWPAB-RQASJOBOSA-N 2 2 256.390 0.845 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C[NH2+]CC2CC2)C[C@H]1C ZINC000423901268 533419102 /nfs/dbraw/zinc/41/91/02/533419102.db2.gz SXVZHGDCFKBIQN-GFCCVEGCSA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)C[NH2+]CC2CC2)C[C@H]1C ZINC000423901268 533419105 /nfs/dbraw/zinc/41/91/05/533419105.db2.gz SXVZHGDCFKBIQN-GFCCVEGCSA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C[NH2+]CC2CC2)CC1 ZINC000423780835 533596553 /nfs/dbraw/zinc/59/65/53/533596553.db2.gz GXSBOJXYLXRSRA-GFCCVEGCSA-N 2 2 297.399 0.082 20 0 CCADLP [NH3+]CC(F)(F)CNC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000190233624 130076656 /nfs/dbraw/zinc/07/66/56/130076656.db2.gz QAXOUQSTUBWZQV-UHFFFAOYSA-N 2 2 281.266 0.591 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccncc3)C[C@H]21 ZINC000342077310 130240272 /nfs/dbraw/zinc/24/02/72/130240272.db2.gz BEAZJYMEYWNHQZ-MRVWCRGKSA-N 2 2 274.368 0.501 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccncc3)C[C@H]21 ZINC000342077310 130240274 /nfs/dbraw/zinc/24/02/74/130240274.db2.gz BEAZJYMEYWNHQZ-MRVWCRGKSA-N 2 2 274.368 0.501 20 0 CCADLP [NH3+]C1(C[NH2+]CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CCC1 ZINC000342125530 130282524 /nfs/dbraw/zinc/28/25/24/130282524.db2.gz JDOQOGJVKKNDSQ-STQMWFEESA-N 2 2 281.400 0.627 20 0 CCADLP C[C@H](CN(C)C)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000342226362 130397793 /nfs/dbraw/zinc/39/77/93/130397793.db2.gz KEMSZJKXEIAXLZ-CYBMUJFWSA-N 2 2 292.431 0.268 20 0 CCADLP C[C@H](C[NH+](C)C)NCc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000342226362 130397794 /nfs/dbraw/zinc/39/77/94/130397794.db2.gz KEMSZJKXEIAXLZ-CYBMUJFWSA-N 2 2 292.431 0.268 20 0 CCADLP C[NH2+]CCCC(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000237139544 131007780 /nfs/dbraw/zinc/00/77/80/131007780.db2.gz OPCPLBYTJFEVOL-UHFFFAOYSA-N 2 2 294.399 0.935 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)C[NH3+])c1c(F)cccc1F ZINC000237191209 131011812 /nfs/dbraw/zinc/01/18/12/131011812.db2.gz NRUAFSBHKSGBTB-SNVBAGLBSA-N 2 2 257.284 0.642 20 0 CCADLP C[NH2+]CC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000237201660 131013335 /nfs/dbraw/zinc/01/33/35/131013335.db2.gz SYDWHPGEBXXTCF-UHFFFAOYSA-N 2 2 277.368 0.429 20 0 CCADLP Cc1[nH+]ccn1CCCCNC(=O)[C@H]1CSC[NH2+]1 ZINC000237625339 131048992 /nfs/dbraw/zinc/04/89/92/131048992.db2.gz CUPCJLOJMIODHT-LLVKDONJSA-N 2 2 268.386 0.750 20 0 CCADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)[C@H]1CC[NH2+]C1 ZINC000238059997 131075010 /nfs/dbraw/zinc/07/50/10/131075010.db2.gz XZVNVNCNKSPKBX-ZDUSSCGKSA-N 2 2 274.368 0.908 20 0 CCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)[C@@H]1CCC[NH2+]1 ZINC000238096676 131077098 /nfs/dbraw/zinc/07/70/98/131077098.db2.gz UPOVBJCYTZSSKF-LBPRGKRZSA-N 2 2 279.409 0.974 20 0 CCADLP O=C(NCC[N@H+]1CCc2sccc2C1)[C@@H]1CCC[NH2+]1 ZINC000238096676 131077100 /nfs/dbraw/zinc/07/71/00/131077100.db2.gz UPOVBJCYTZSSKF-LBPRGKRZSA-N 2 2 279.409 0.974 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250291051 131125501 /nfs/dbraw/zinc/12/55/01/131125501.db2.gz NENQVDHLTROBMS-YIBTVLSRSA-N 2 2 282.388 0.435 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250291051 131125503 /nfs/dbraw/zinc/12/55/03/131125503.db2.gz NENQVDHLTROBMS-YIBTVLSRSA-N 2 2 282.388 0.435 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)C[C@@H](C)O1 ZINC000251701018 131130633 /nfs/dbraw/zinc/13/06/33/131130633.db2.gz IWDDUHGWQHONSJ-LPWJVIDDSA-N 2 2 269.389 0.291 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)C[C@@H](C)O1 ZINC000251701018 131130635 /nfs/dbraw/zinc/13/06/35/131130635.db2.gz IWDDUHGWQHONSJ-LPWJVIDDSA-N 2 2 269.389 0.291 20 0 CCADLP [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2)O1 ZINC000261858848 131173677 /nfs/dbraw/zinc/17/36/77/131173677.db2.gz SCIZKBKLRVWLMX-MFKMUULPSA-N 3 2 287.323 0.712 20 0 CCADLP C[C@@H](C[NH3+])C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000262000527 131182108 /nfs/dbraw/zinc/18/21/08/131182108.db2.gz PPPLIUDSPJPIHU-NSHDSACASA-N 2 2 262.357 0.893 20 0 CCADLP C[C@H]1C[NH2+]CC[C@H]1NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000262741686 131258270 /nfs/dbraw/zinc/25/82/70/131258270.db2.gz JCFLNPHKXPQMHP-WCQYABFASA-N 2 2 272.352 0.991 20 0 CCADLP O=C(C[NH2+]CC1CC1)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000263244723 131287344 /nfs/dbraw/zinc/28/73/44/131287344.db2.gz HHBFAHQPFOPLCL-UHFFFAOYSA-N 2 2 285.351 0.883 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cnn(C)c1 ZINC000268929727 132089524 /nfs/dbraw/zinc/08/95/24/132089524.db2.gz QMNJKMPDMVSIIH-DGCLKSJQSA-N 2 2 279.388 0.411 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cnn(C)c1 ZINC000268929727 132089525 /nfs/dbraw/zinc/08/95/25/132089525.db2.gz QMNJKMPDMVSIIH-DGCLKSJQSA-N 2 2 279.388 0.411 20 0 CCADLP CN(C)c1ccc(CNC(=O)c2csc(C[NH3+])n2)c[nH+]1 ZINC000269242728 132140139 /nfs/dbraw/zinc/14/01/39/132140139.db2.gz RPJCGDXMYZJCOJ-UHFFFAOYSA-N 2 2 291.380 0.993 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)c1csc(C[NH3+])n1 ZINC000269239640 132140426 /nfs/dbraw/zinc/14/04/26/132140426.db2.gz PLUIYTSQPHBNOW-UHFFFAOYSA-N 2 2 279.369 0.927 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)c1csc(C[NH3+])n1 ZINC000269267310 132146408 /nfs/dbraw/zinc/14/64/08/132146408.db2.gz QFXBPIXACHINHE-UHFFFAOYSA-N 2 2 251.315 0.563 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCn3nccc32)CC1 ZINC000657855596 413068454 /nfs/dbraw/zinc/06/84/54/413068454.db2.gz FJXIPJAZVGTTBM-GFCCVEGCSA-N 2 2 277.372 0.082 20 0 CCADLP OCc1ccc(F)c(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000530217149 285572581 /nfs/dbraw/zinc/57/25/81/285572581.db2.gz GANPXDFPRHZGLS-HNNXBMFYSA-N 2 2 293.386 0.798 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530228069 285576614 /nfs/dbraw/zinc/57/66/14/285576614.db2.gz LCRGOEALWZAUCI-UHFFFAOYSA-N 2 2 284.404 0.054 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@]1(CO)CCc2ccccc21)C1CC1 ZINC000685568961 545837833 /nfs/dbraw/zinc/83/78/33/545837833.db2.gz WQEJZJAXNIJKFO-WBVHZDCISA-N 2 2 290.407 0.865 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NCCNc1cccc[nH+]1 ZINC000292146846 397444653 /nfs/dbraw/zinc/44/46/53/397444653.db2.gz YOADQEBRRIQBNS-UHFFFAOYSA-N 2 2 274.328 0.726 20 0 CCADLP [NH3+]CCOCC[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC000357029667 144052228 /nfs/dbraw/zinc/05/22/28/144052228.db2.gz OJHGQROPDVDIRJ-UHFFFAOYSA-N 2 2 283.397 0.481 20 0 CCADLP COC(=O)c1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c[nH]1 ZINC000357137941 144064253 /nfs/dbraw/zinc/06/42/53/144064253.db2.gz VVURQKFNHSFXQK-NWDGAFQWSA-N 2 2 263.341 0.843 20 0 CCADLP COC(=O)c1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c[nH]1 ZINC000357137941 144064255 /nfs/dbraw/zinc/06/42/55/144064255.db2.gz VVURQKFNHSFXQK-NWDGAFQWSA-N 2 2 263.341 0.843 20 0 CCADLP C[C@H](C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)C1C[NH2+]C1 ZINC000357237622 144072012 /nfs/dbraw/zinc/07/20/12/144072012.db2.gz GZMXGAZCFRAYKI-ZFWWWQNUSA-N 2 2 295.427 0.555 20 0 CCADLP CCC(CC)(CC(=O)OC)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000357388623 144087067 /nfs/dbraw/zinc/08/70/67/144087067.db2.gz JYKGTEUSBMDLHR-UHFFFAOYSA-N 2 2 299.415 0.472 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-n3cncn3)cc2)CCO1 ZINC000357973412 144138947 /nfs/dbraw/zinc/13/89/47/144138947.db2.gz WRKPIPCBPOZJOT-CQSZACIVSA-N 2 2 273.340 0.427 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-n3cncn3)cc2)CCO1 ZINC000357973412 144138948 /nfs/dbraw/zinc/13/89/48/144138948.db2.gz WRKPIPCBPOZJOT-CQSZACIVSA-N 2 2 273.340 0.427 20 0 CCADLP COc1cccc(C(=O)NCC[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000358019864 144142532 /nfs/dbraw/zinc/14/25/32/144142532.db2.gz DTIFRPQEHNICAT-WFASDCNBSA-N 2 2 291.395 0.965 20 0 CCADLP COc1cccc(C(=O)NCC[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000358019864 144142534 /nfs/dbraw/zinc/14/25/34/144142534.db2.gz DTIFRPQEHNICAT-WFASDCNBSA-N 2 2 291.395 0.965 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H](C)[NH+](C)[C@@H](C)C2)C1 ZINC000358692931 144173066 /nfs/dbraw/zinc/17/30/66/144173066.db2.gz ZEBWBTIHKQFXGF-AVGNSLFASA-N 2 2 269.389 0.258 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H](C)[NH+](C)[C@@H](C)C2)C1 ZINC000358692931 144173067 /nfs/dbraw/zinc/17/30/67/144173067.db2.gz ZEBWBTIHKQFXGF-AVGNSLFASA-N 2 2 269.389 0.258 20 0 CCADLP CC[C@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)[NH+](C)C ZINC000359214211 144202859 /nfs/dbraw/zinc/20/28/59/144202859.db2.gz IGIFXSSGJXFVPV-OAHLLOKOSA-N 3 2 298.475 0.811 20 0 CCADLP CC[C@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)[NH+](C)C ZINC000359214211 144202860 /nfs/dbraw/zinc/20/28/60/144202860.db2.gz IGIFXSSGJXFVPV-OAHLLOKOSA-N 3 2 298.475 0.811 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+]2CCC([C@@H]3CCOC3)CC2)CC1 ZINC000368333126 144218220 /nfs/dbraw/zinc/21/82/20/144218220.db2.gz PQSHYCMBLYKFQQ-OAHLLOKOSA-N 2 2 295.427 0.509 20 0 CCADLP O=C(NCC[C@H]1CCC[NH2+]C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000368486700 144227681 /nfs/dbraw/zinc/22/76/81/144227681.db2.gz OVLPRWRYUWEZNQ-NXEZZACHSA-N 2 2 261.316 0.490 20 0 CCADLP CCOCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369392680 144267771 /nfs/dbraw/zinc/26/77/71/144267771.db2.gz IYTTVHRILJJTFR-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CCOCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369392680 144267772 /nfs/dbraw/zinc/26/77/72/144267772.db2.gz IYTTVHRILJJTFR-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)CC[NH+](C)C1CC1 ZINC000369559128 144273620 /nfs/dbraw/zinc/27/36/20/144273620.db2.gz FTQJDDSMIKEVDK-CYBMUJFWSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000369559128 144273622 /nfs/dbraw/zinc/27/36/22/144273622.db2.gz FTQJDDSMIKEVDK-CYBMUJFWSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000369559128 144273623 /nfs/dbraw/zinc/27/36/23/144273623.db2.gz FTQJDDSMIKEVDK-CYBMUJFWSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@](O)(C3CC3)C2)CC1 ZINC000370081703 144290143 /nfs/dbraw/zinc/29/01/43/144290143.db2.gz KAOHNDXNIGCSKR-CZUORRHYSA-N 2 2 295.427 0.386 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@](O)(C3CC3)C2)CC1 ZINC000370081703 144290144 /nfs/dbraw/zinc/29/01/44/144290144.db2.gz KAOHNDXNIGCSKR-CZUORRHYSA-N 2 2 295.427 0.386 20 0 CCADLP NS(=O)(=O)[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000372904176 144384829 /nfs/dbraw/zinc/38/48/29/144384829.db2.gz RSQDNSXCKMBYMT-CYBMUJFWSA-N 2 2 289.445 0.615 20 0 CCADLP NS(=O)(=O)[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000372904176 144384831 /nfs/dbraw/zinc/38/48/31/144384831.db2.gz RSQDNSXCKMBYMT-CYBMUJFWSA-N 2 2 289.445 0.615 20 0 CCADLP CC(C)[NH2+]C1(CO)CCN(Cc2[nH+]ccn2C)CC1 ZINC000571937267 397579867 /nfs/dbraw/zinc/57/98/67/397579867.db2.gz QNMCDPHYGCNCKX-UHFFFAOYSA-N 2 2 266.389 0.745 20 0 CCADLP Cc1ccnc(NC(=O)C[N@H+](C)C[C@@H]2CC[NH2+]C2)c1 ZINC000649412066 397606647 /nfs/dbraw/zinc/60/66/47/397606647.db2.gz HHAKWBPWFDKUCL-GFCCVEGCSA-N 2 2 262.357 0.870 20 0 CCADLP Cc1ccnc(NC(=O)C[N@@H+](C)C[C@@H]2CC[NH2+]C2)c1 ZINC000649412066 397606649 /nfs/dbraw/zinc/60/66/49/397606649.db2.gz HHAKWBPWFDKUCL-GFCCVEGCSA-N 2 2 262.357 0.870 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000649412424 397607227 /nfs/dbraw/zinc/60/72/27/397607227.db2.gz KKCKSAWSJJCAIU-AWEZNQCLSA-N 3 2 282.432 0.082 20 0 CCADLP C[NH2+]CCC[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000649414468 397608578 /nfs/dbraw/zinc/60/85/78/397608578.db2.gz AGRQZAWANFSSNV-AWEZNQCLSA-N 3 2 254.422 0.308 20 0 CCADLP C[NH2+]CCC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000649414468 397608580 /nfs/dbraw/zinc/60/85/80/397608580.db2.gz AGRQZAWANFSSNV-AWEZNQCLSA-N 3 2 254.422 0.308 20 0 CCADLP Cn1ccc(N2CCC[C@@H]([NH+]3CCC(C)([NH3+])CC3)C2=O)n1 ZINC000649416230 397609326 /nfs/dbraw/zinc/60/93/26/397609326.db2.gz ZMDRDXAPPUZOAT-GFCCVEGCSA-N 2 2 291.399 0.729 20 0 CCADLP CC[C@@H]1C[N@@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)CC[C@@H]1[NH3+] ZINC000649416823 397609368 /nfs/dbraw/zinc/60/93/68/397609368.db2.gz MYJJFMNZEBMZFI-KWCYVHTRSA-N 2 2 291.399 0.585 20 0 CCADLP CC[C@@H]1C[N@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)CC[C@@H]1[NH3+] ZINC000649416823 397609369 /nfs/dbraw/zinc/60/93/69/397609369.db2.gz MYJJFMNZEBMZFI-KWCYVHTRSA-N 2 2 291.399 0.585 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)N(C)Cc2cnn(C)c2)CC[C@@H]1[NH3+] ZINC000649416760 397609569 /nfs/dbraw/zinc/60/95/69/397609569.db2.gz KUSZTKYWSXGBAW-KGLIPLIRSA-N 2 2 293.415 0.438 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)N(C)Cc2cnn(C)c2)CC[C@@H]1[NH3+] ZINC000649416760 397609572 /nfs/dbraw/zinc/60/95/72/397609572.db2.gz KUSZTKYWSXGBAW-KGLIPLIRSA-N 2 2 293.415 0.438 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCCC1CC[NH2+]CC1 ZINC000649481489 397619078 /nfs/dbraw/zinc/61/90/78/397619078.db2.gz JTAPOUPVUCPJEF-GFCCVEGCSA-N 2 2 279.388 0.961 20 0 CCADLP CC[C@@H]1COC(C)(C)C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000649714782 397659005 /nfs/dbraw/zinc/65/90/05/397659005.db2.gz LXPHXEYDOLWUPV-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@@H]1COC(C)(C)C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000649714782 397659011 /nfs/dbraw/zinc/65/90/11/397659011.db2.gz LXPHXEYDOLWUPV-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP C[N@@H+]1CC[C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651157224 397843346 /nfs/dbraw/zinc/84/33/46/397843346.db2.gz KFYDMOLIGNVSLM-LBPRGKRZSA-N 2 2 276.384 0.830 20 0 CCADLP C[N@H+]1CC[C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651157224 397843350 /nfs/dbraw/zinc/84/33/50/397843350.db2.gz KFYDMOLIGNVSLM-LBPRGKRZSA-N 2 2 276.384 0.830 20 0 CCADLP Cc1cccc(NCCNc2cc[nH+]cc2C(N)=O)[nH+]1 ZINC000545157684 285848589 /nfs/dbraw/zinc/84/85/89/285848589.db2.gz LJKVPIGHPMRKJP-UHFFFAOYSA-N 2 2 271.324 0.830 20 0 CCADLP C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000548284363 286021946 /nfs/dbraw/zinc/02/19/46/286021946.db2.gz IYBFOCVVBDCORR-STQMWFEESA-N 2 2 291.399 0.839 20 0 CCADLP C[N@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000548284363 286021947 /nfs/dbraw/zinc/02/19/47/286021947.db2.gz IYBFOCVVBDCORR-STQMWFEESA-N 2 2 291.399 0.839 20 0 CCADLP CCOCCCNC(=O)[C@@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000342137827 286067588 /nfs/dbraw/zinc/06/75/88/286067588.db2.gz PGPASSUJSLBSPQ-LLVKDONJSA-N 2 2 257.378 0.389 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420367623 286069922 /nfs/dbraw/zinc/06/99/22/286069922.db2.gz MXFDZQWDCSYWCL-ZOBORPQBSA-N 2 2 285.432 0.894 20 0 CCADLP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)[NH+]1CCCC1 ZINC000549556409 286094699 /nfs/dbraw/zinc/09/46/99/286094699.db2.gz IEHQYEHNHCOFCQ-LBPRGKRZSA-N 2 2 264.373 0.953 20 0 CCADLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)NC(=O)NC3CC3)C2)C1 ZINC000549840869 286101029 /nfs/dbraw/zinc/10/10/29/286101029.db2.gz PKEPMSGQRGTMON-HNNXBMFYSA-N 2 2 294.399 0.392 20 0 CCADLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)NC(=O)NC3CC3)C2)C1 ZINC000549840869 286101031 /nfs/dbraw/zinc/10/10/31/286101031.db2.gz PKEPMSGQRGTMON-HNNXBMFYSA-N 2 2 294.399 0.392 20 0 CCADLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)NC(=O)NC3CC3)C2)C1 ZINC000549840869 286101032 /nfs/dbraw/zinc/10/10/32/286101032.db2.gz PKEPMSGQRGTMON-HNNXBMFYSA-N 2 2 294.399 0.392 20 0 CCADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)NC(=O)NC3CC3)C2)C1 ZINC000549840869 286101034 /nfs/dbraw/zinc/10/10/34/286101034.db2.gz PKEPMSGQRGTMON-HNNXBMFYSA-N 2 2 294.399 0.392 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000551835851 286128750 /nfs/dbraw/zinc/12/87/50/286128750.db2.gz VGUMNGQJFDEUES-GFCCVEGCSA-N 2 2 262.357 0.716 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000551835851 286128751 /nfs/dbraw/zinc/12/87/51/286128751.db2.gz VGUMNGQJFDEUES-GFCCVEGCSA-N 2 2 262.357 0.716 20 0 CCADLP C[C@H](CNC(=O)[C@@H](C)[NH+]1CC(C)C1)C[NH+]1CCOCC1 ZINC000553144859 286182040 /nfs/dbraw/zinc/18/20/40/286182040.db2.gz ILUNSKWAGNYRMX-TZMCWYRMSA-N 2 2 283.416 0.411 20 0 CCADLP C[C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)c1[nH+]ccn1C ZINC000659026145 413261867 /nfs/dbraw/zinc/26/18/67/413261867.db2.gz XZJAFYDRMPXYLK-NKWVEPMBSA-N 2 2 279.266 0.670 20 0 CCADLP [NH3+]C[C@H]1CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000659079887 413276147 /nfs/dbraw/zinc/27/61/47/413276147.db2.gz YKDATAYFEIIWBZ-SNVBAGLBSA-N 2 2 287.323 0.080 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000341691075 286624714 /nfs/dbraw/zinc/62/47/14/286624714.db2.gz DVHDKCLGRNUGMV-QWHCGFSZSA-N 2 2 291.461 0.035 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000417007861 286921219 /nfs/dbraw/zinc/92/12/19/286921219.db2.gz LLLHRKKWRFCQJH-ZJUUUORDSA-N 2 2 265.361 0.683 20 0 CCADLP O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659359279 413442688 /nfs/dbraw/zinc/44/26/88/413442688.db2.gz YDYWTHKRWRJIHK-YCPHGPKFSA-N 2 2 293.411 0.309 20 0 CCADLP C[C@@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CCCC[NH2+]1 ZINC000423147708 287028534 /nfs/dbraw/zinc/02/85/34/287028534.db2.gz DBNBCZOMZTUGMV-KBXIAJHMSA-N 2 2 267.417 0.970 20 0 CCADLP C[C@@H](NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CCCC[NH2+]1 ZINC000423147708 287028537 /nfs/dbraw/zinc/02/85/37/287028537.db2.gz DBNBCZOMZTUGMV-KBXIAJHMSA-N 2 2 267.417 0.970 20 0 CCADLP C[C@@H](NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CCCC[NH2+]1 ZINC000423147708 287028539 /nfs/dbraw/zinc/02/85/39/287028539.db2.gz DBNBCZOMZTUGMV-KBXIAJHMSA-N 2 2 267.417 0.970 20 0 CCADLP [NH3+][C@@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)CC[C@H]1F ZINC000659391278 413471586 /nfs/dbraw/zinc/47/15/86/413471586.db2.gz RVFHMNJEWAZMEZ-GHMZBOCLSA-N 2 2 262.288 0.846 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C[C@H]1[NH+]1CCOCC1 ZINC000423884292 287170695 /nfs/dbraw/zinc/17/06/95/287170695.db2.gz VVBKAMGECOWYRZ-KQTLUZQSSA-N 2 2 293.411 0.308 20 0 CCADLP CC[C@@H]1CN(CC[N@@H+]2CCOC[C@H]2C)CC[NH+]1C[C@@H](C)O ZINC000249098389 287194251 /nfs/dbraw/zinc/19/42/51/287194251.db2.gz VUXKHYYBLSCDEM-BZUAXINKSA-N 2 2 299.459 0.484 20 0 CCADLP CC[C@@H]1CN(CC[N@H+]2CCOC[C@H]2C)CC[NH+]1C[C@@H](C)O ZINC000249098389 287194253 /nfs/dbraw/zinc/19/42/53/287194253.db2.gz VUXKHYYBLSCDEM-BZUAXINKSA-N 2 2 299.459 0.484 20 0 CCADLP CC[C@@H]1CN(CC[NH+]2CCOC[C@H]2C)CC[N@@H+]1C[C@@H](C)O ZINC000249098389 287194255 /nfs/dbraw/zinc/19/42/55/287194255.db2.gz VUXKHYYBLSCDEM-BZUAXINKSA-N 2 2 299.459 0.484 20 0 CCADLP CC[C@@H]1CN(CC[NH+]2CCOC[C@H]2C)CC[N@H+]1C[C@@H](C)O ZINC000249098389 287194257 /nfs/dbraw/zinc/19/42/57/287194257.db2.gz VUXKHYYBLSCDEM-BZUAXINKSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000122648978 411708624 /nfs/dbraw/zinc/70/86/24/411708624.db2.gz PMUIMDJHVTWQTN-IEECTRCBSA-N 2 2 269.389 0.147 20 0 CCADLP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000122648978 411708631 /nfs/dbraw/zinc/70/86/31/411708631.db2.gz PMUIMDJHVTWQTN-IEECTRCBSA-N 2 2 269.389 0.147 20 0 CCADLP C[C@H](CCCCO)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000651382141 411858881 /nfs/dbraw/zinc/85/88/81/411858881.db2.gz PNCOASLWZYBNGD-KGLIPLIRSA-N 2 2 258.406 0.974 20 0 CCADLP C[C@H](CCCCO)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000651382141 411858885 /nfs/dbraw/zinc/85/88/85/411858885.db2.gz PNCOASLWZYBNGD-KGLIPLIRSA-N 2 2 258.406 0.974 20 0 CCADLP C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652350933 412033934 /nfs/dbraw/zinc/03/39/34/412033934.db2.gz YITMEGKCTXWHJM-HUBLWGQQSA-N 2 2 289.383 0.864 20 0 CCADLP C[C@@H](C(=O)Nc1ncccn1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652350933 412033939 /nfs/dbraw/zinc/03/39/39/412033939.db2.gz YITMEGKCTXWHJM-HUBLWGQQSA-N 2 2 289.383 0.864 20 0 CCADLP Cn1nnc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)n1 ZINC000652363906 412040418 /nfs/dbraw/zinc/04/04/18/412040418.db2.gz RODICYLLSFJYMO-QJPTWQEYSA-N 2 2 280.376 0.071 20 0 CCADLP Cn1nnc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)n1 ZINC000652363906 412040421 /nfs/dbraw/zinc/04/04/21/412040421.db2.gz RODICYLLSFJYMO-QJPTWQEYSA-N 2 2 280.376 0.071 20 0 CCADLP C[NH+]1CCC([NH2+]CCCN2CC[NH+](C)CC2)CC1 ZINC000020128324 171014741 /nfs/dbraw/zinc/01/47/41/171014741.db2.gz PKEKQHKARXXDML-UHFFFAOYSA-N 3 2 254.422 0.308 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)NCCC[NH+](C)CC(C)C ZINC000652523729 412069044 /nfs/dbraw/zinc/06/90/44/412069044.db2.gz ZUNPWJXWWCILTC-CQSZACIVSA-N 2 2 285.432 0.801 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)NCCC[NH+](C)CC(C)C ZINC000652523729 412069050 /nfs/dbraw/zinc/06/90/50/412069050.db2.gz ZUNPWJXWWCILTC-CQSZACIVSA-N 2 2 285.432 0.801 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)NCCC[N@H+](C)CC(C)C ZINC000652523729 412069057 /nfs/dbraw/zinc/06/90/57/412069057.db2.gz ZUNPWJXWWCILTC-CQSZACIVSA-N 2 2 285.432 0.801 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)NCCC[N@@H+](C)CC(C)C ZINC000652523729 412069062 /nfs/dbraw/zinc/06/90/62/412069062.db2.gz ZUNPWJXWWCILTC-CQSZACIVSA-N 2 2 285.432 0.801 20 0 CCADLP [NH3+]C[C@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653054263 412202044 /nfs/dbraw/zinc/20/20/44/412202044.db2.gz IYTMGHPOEMDGMU-GFCCVEGCSA-N 2 2 262.357 0.712 20 0 CCADLP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653052382 412202220 /nfs/dbraw/zinc/20/22/20/412202220.db2.gz CHBSFYPPWWFGAT-YPMHNXCESA-N 3 2 258.410 0.145 20 0 CCADLP COc1cccc(CN(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000653058422 412206358 /nfs/dbraw/zinc/20/63/58/412206358.db2.gz RXTDNYAQPHYKCY-CQSZACIVSA-N 2 2 279.384 0.933 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCc1ccc(F)cc1F ZINC000653077359 412210112 /nfs/dbraw/zinc/21/01/12/412210112.db2.gz ZEZPQOKBNFLZPJ-ZDUSSCGKSA-N 2 2 285.338 0.903 20 0 CCADLP COCCOc1ccccc1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653078362 412210489 /nfs/dbraw/zinc/21/04/89/412210489.db2.gz AGGOPRKGCWGYOG-LBPRGKRZSA-N 2 2 295.383 0.929 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H]1Cc2ccccc21 ZINC000653074487 412210604 /nfs/dbraw/zinc/21/06/04/412210604.db2.gz JJVOIVHHIVUARX-JSGCOSHPSA-N 2 2 261.369 0.722 20 0 CCADLP CO[C@H](C)CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C(C)C ZINC000653094993 412215569 /nfs/dbraw/zinc/21/55/69/412215569.db2.gz XNODXLUCUIXWRV-NEPJUHHUSA-N 2 2 259.394 0.537 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cnc(C2CC2)nc1 ZINC000653086546 412213212 /nfs/dbraw/zinc/21/32/12/412213212.db2.gz VEUZWUXKZJFVQZ-NSHDSACASA-N 2 2 263.345 0.572 20 0 CCADLP CCO[C@@H]1C[C@H](N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)C1(C)C ZINC000653094376 412215887 /nfs/dbraw/zinc/21/58/87/412215887.db2.gz CWQOYLGSNUDGAC-FRRDWIJNSA-N 2 2 285.432 0.927 20 0 CCADLP C[C@@H]1SCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H]1C ZINC000653092715 412216340 /nfs/dbraw/zinc/21/63/40/412216340.db2.gz JBFYCMXYBWWMFO-GARJFASQSA-N 2 2 259.419 0.618 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)Oc1ccccc1F ZINC000653096084 412217289 /nfs/dbraw/zinc/21/72/89/412217289.db2.gz CVWYFKSNHAQPPW-AAEUAGOBSA-N 2 2 297.374 0.988 20 0 CCADLP C[C@@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)Oc1ccc(F)cc1 ZINC000653096222 412217320 /nfs/dbraw/zinc/21/73/20/412217320.db2.gz GOGOPZUPPFGMOP-SMDDNHRTSA-N 2 2 297.374 0.988 20 0 CCADLP CO[C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(C)(C)C ZINC000653100081 412218232 /nfs/dbraw/zinc/21/82/32/412218232.db2.gz HOMJXIDVWLQLQK-WDEREUQCSA-N 2 2 259.394 0.443 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C1CCCCC1 ZINC000653101947 412218409 /nfs/dbraw/zinc/21/84/09/412218409.db2.gz KNTRDELLFRZMKQ-STQMWFEESA-N 2 2 298.431 0.206 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C[NH+]1CCCC1 ZINC000653111114 412223575 /nfs/dbraw/zinc/22/35/75/412223575.db2.gz FDQRNKZLAOYARJ-STQMWFEESA-N 3 2 270.421 0.114 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]2CCC[NH2+]CC2)CCO1 ZINC000653114563 412225682 /nfs/dbraw/zinc/22/56/82/412225682.db2.gz MRHWHKKAOFJZFL-CYBMUJFWSA-N 2 2 283.416 0.603 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]2CCC[NH2+]CC2)CCO1 ZINC000653114563 412225684 /nfs/dbraw/zinc/22/56/84/412225684.db2.gz MRHWHKKAOFJZFL-CYBMUJFWSA-N 2 2 283.416 0.603 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000653113222 412226029 /nfs/dbraw/zinc/22/60/29/412226029.db2.gz WZSAJYQSZKPFIG-HNNXBMFYSA-N 3 2 292.427 0.514 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000653113222 412226031 /nfs/dbraw/zinc/22/60/31/412226031.db2.gz WZSAJYQSZKPFIG-HNNXBMFYSA-N 3 2 292.427 0.514 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCC[NH2+]CC1)[C@H](C)[NH+]1CCOCC1 ZINC000653117879 412228115 /nfs/dbraw/zinc/22/81/15/412228115.db2.gz YCKBVHKTKNMTAS-IHRRRGAJSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1ccncc1 ZINC000653122726 412232448 /nfs/dbraw/zinc/23/24/48/412232448.db2.gz BUEQZWPTKAVNJN-AAEUAGOBSA-N 2 2 264.373 0.580 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](C)C[NH2+]1 ZINC000653128802 412233603 /nfs/dbraw/zinc/23/36/03/412233603.db2.gz ZJJMIQAFDSZBAQ-NEPJUHHUSA-N 2 2 276.384 0.971 20 0 CCADLP C[C@@H](CC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)n1cc[nH+]c1 ZINC000653142167 412239335 /nfs/dbraw/zinc/23/93/35/412239335.db2.gz BHMDTWJOQPJFQT-DCAQKATOSA-N 2 2 254.309 0.650 20 0 CCADLP COc1cccc2c1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C2 ZINC000653151900 412243436 /nfs/dbraw/zinc/24/34/36/412243436.db2.gz XATYZIRKOYGLHC-AWEZNQCLSA-N 2 2 291.395 0.859 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000653499304 412308195 /nfs/dbraw/zinc/30/81/95/412308195.db2.gz FSBPQYSIOWVINC-KGLIPLIRSA-N 2 2 296.415 0.528 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000653499304 412308197 /nfs/dbraw/zinc/30/81/97/412308197.db2.gz FSBPQYSIOWVINC-KGLIPLIRSA-N 2 2 296.415 0.528 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000653499304 412308200 /nfs/dbraw/zinc/30/82/00/412308200.db2.gz FSBPQYSIOWVINC-KGLIPLIRSA-N 2 2 296.415 0.528 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000653499304 412308203 /nfs/dbraw/zinc/30/82/03/412308203.db2.gz FSBPQYSIOWVINC-KGLIPLIRSA-N 2 2 296.415 0.528 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](n2ccnc2)C1 ZINC000653547152 412316789 /nfs/dbraw/zinc/31/67/89/412316789.db2.gz ASOXXAQNCJTYKO-ZIAGYGMSSA-N 2 2 266.389 0.833 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](n2ccnc2)C1 ZINC000653547152 412316791 /nfs/dbraw/zinc/31/67/91/412316791.db2.gz ASOXXAQNCJTYKO-ZIAGYGMSSA-N 2 2 266.389 0.833 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000653547152 412316794 /nfs/dbraw/zinc/31/67/94/412316794.db2.gz ASOXXAQNCJTYKO-ZIAGYGMSSA-N 2 2 266.389 0.833 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000653547152 412316797 /nfs/dbraw/zinc/31/67/97/412316797.db2.gz ASOXXAQNCJTYKO-ZIAGYGMSSA-N 2 2 266.389 0.833 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@]1(CO)CCc2ccccc21 ZINC000653587195 412320604 /nfs/dbraw/zinc/32/06/04/412320604.db2.gz UJOXAOQOPJZZOB-HOCLYGCPSA-N 2 2 278.396 0.723 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@]1(CO)CCc2ccccc21 ZINC000653587195 412320606 /nfs/dbraw/zinc/32/06/06/412320606.db2.gz UJOXAOQOPJZZOB-HOCLYGCPSA-N 2 2 278.396 0.723 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](OC)CC1 ZINC000653612860 412324864 /nfs/dbraw/zinc/32/48/64/412324864.db2.gz JXBRFESBJXSKKS-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](OC)CC1 ZINC000653612860 412324865 /nfs/dbraw/zinc/32/48/65/412324865.db2.gz JXBRFESBJXSKKS-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](OC)CC1 ZINC000653612860 412324866 /nfs/dbraw/zinc/32/48/66/412324866.db2.gz JXBRFESBJXSKKS-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](OC)CC1 ZINC000653612860 412324867 /nfs/dbraw/zinc/32/48/67/412324867.db2.gz JXBRFESBJXSKKS-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP O=S1(=O)CC[C@@H](CC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)C1 ZINC000653644728 412330188 /nfs/dbraw/zinc/33/01/88/412330188.db2.gz IRDSHXQUUQVCRM-GFCCVEGCSA-N 2 2 298.412 0.357 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCCC[C@@H]1CCO ZINC000653664521 412332366 /nfs/dbraw/zinc/33/23/66/412332366.db2.gz CLBHYYOEUVZJCX-HUUCEWRRSA-N 2 2 288.432 0.553 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCCC[C@@H]1CCO ZINC000653664521 412332368 /nfs/dbraw/zinc/33/23/68/412332368.db2.gz CLBHYYOEUVZJCX-HUUCEWRRSA-N 2 2 288.432 0.553 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCCC[C@@H]1CCO ZINC000653664521 412332372 /nfs/dbraw/zinc/33/23/72/412332372.db2.gz CLBHYYOEUVZJCX-HUUCEWRRSA-N 2 2 288.432 0.553 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCCC[C@@H]1CCO ZINC000653664521 412332375 /nfs/dbraw/zinc/33/23/75/412332375.db2.gz CLBHYYOEUVZJCX-HUUCEWRRSA-N 2 2 288.432 0.553 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(CF)CC1 ZINC000653731378 412340604 /nfs/dbraw/zinc/34/06/04/412340604.db2.gz FOPHKLRWMMXFTO-CYBMUJFWSA-N 2 2 262.369 0.607 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CF)CC1 ZINC000653731378 412340606 /nfs/dbraw/zinc/34/06/06/412340606.db2.gz FOPHKLRWMMXFTO-CYBMUJFWSA-N 2 2 262.369 0.607 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000654768716 412437332 /nfs/dbraw/zinc/43/73/32/412437332.db2.gz RZJQAAWJAVHIRY-CQSZACIVSA-N 2 2 283.416 0.509 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000654768716 412437333 /nfs/dbraw/zinc/43/73/33/412437333.db2.gz RZJQAAWJAVHIRY-CQSZACIVSA-N 2 2 283.416 0.509 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000655007250 412460746 /nfs/dbraw/zinc/46/07/46/412460746.db2.gz GDIVSUGRQPPANO-UHFFFAOYSA-N 2 2 279.388 0.267 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)NCc1[nH+]ccn1CC(C)C ZINC000659460636 413520646 /nfs/dbraw/zinc/52/06/46/413520646.db2.gz ZUEKDZDHPFPWGN-NSHDSACASA-N 2 2 267.377 0.946 20 0 CCADLP C[C@@H](NC(=O)N[C@H]1CC[NH2+][C@H](C)C1)c1[nH+]ccn1C ZINC000659541325 413627651 /nfs/dbraw/zinc/62/76/51/413627651.db2.gz ICCCZGMEDOQZGH-MXWKQRLJSA-N 2 2 265.361 0.921 20 0 CCADLP CC[C@H](C)CCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000659563834 413658771 /nfs/dbraw/zinc/65/87/71/413658771.db2.gz PWISCWPMVRPZJH-NWDGAFQWSA-N 2 2 256.394 0.707 20 0 CCADLP CC[C@H](C)CCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000659563834 413658784 /nfs/dbraw/zinc/65/87/84/413658784.db2.gz PWISCWPMVRPZJH-NWDGAFQWSA-N 2 2 256.394 0.707 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000659637954 413739265 /nfs/dbraw/zinc/73/92/65/413739265.db2.gz QOCRSQVRBMBKFT-MNOVXSKESA-N 2 2 265.361 0.527 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCc2ccoc2)[C@H](C[NH3+])C1 ZINC000659593272 413677786 /nfs/dbraw/zinc/67/77/86/413677786.db2.gz KELLACGYPLDKOX-GFCCVEGCSA-N 2 2 266.345 0.106 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCc2ccoc2)[C@H](C[NH3+])C1 ZINC000659593272 413677794 /nfs/dbraw/zinc/67/77/94/413677794.db2.gz KELLACGYPLDKOX-GFCCVEGCSA-N 2 2 266.345 0.106 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@]2(C)CC2(F)F)[C@@H](C[NH3+])C1 ZINC000659600067 413683578 /nfs/dbraw/zinc/68/35/78/413683578.db2.gz KHLQRJYZUBKMOK-ONGXEEELSA-N 2 2 276.331 0.316 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@]2(C)CC2(F)F)[C@@H](C[NH3+])C1 ZINC000659600067 413683588 /nfs/dbraw/zinc/68/35/88/413683588.db2.gz KHLQRJYZUBKMOK-ONGXEEELSA-N 2 2 276.331 0.316 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000659641022 413745861 /nfs/dbraw/zinc/74/58/61/413745861.db2.gz PVRVAXVDQOWMII-NSHDSACASA-N 2 2 292.387 0.225 20 0 CCADLP CC(C)[C@H]([NH3+])CCNC(=O)N(C)Cc1[nH+]ccn1C ZINC000659622446 413720914 /nfs/dbraw/zinc/72/09/14/413720914.db2.gz RZOBBYMKFHBRHD-LLVKDONJSA-N 2 2 267.377 0.935 20 0 CCADLP C[C@H](NC(=O)NC(C)(C)CC[NH3+])c1[nH+]ccn1C ZINC000659628785 413723849 /nfs/dbraw/zinc/72/38/49/413723849.db2.gz RSCGZCKTDSQVSR-VIFPVBQESA-N 2 2 253.350 0.908 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000659634844 413732277 /nfs/dbraw/zinc/73/22/77/413732277.db2.gz NCBOBBCPSSJUII-WCQYABFASA-N 2 2 278.356 0.852 20 0 CCADLP CO[C@H](C[NH+]1CCN(C(=O)C[NH+](C)C)CC1)C1CCCC1 ZINC000659839160 413907571 /nfs/dbraw/zinc/90/75/71/413907571.db2.gz SEVZKCJERRKHGO-OAHLLOKOSA-N 2 2 297.443 0.897 20 0 CCADLP CCc1nc(NC[C@@H](O)C[NH+]2CCOCC2)cc(C)[nH+]1 ZINC000285624044 196347356 /nfs/dbraw/zinc/34/73/56/196347356.db2.gz MWUDVLMYCQYXSX-GFCCVEGCSA-N 2 2 280.372 0.452 20 0 CCADLP COC[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)OC ZINC000659956959 414001532 /nfs/dbraw/zinc/00/15/32/414001532.db2.gz WWKBOWKRDLVWEN-KBPBESRZSA-N 2 2 272.389 0.302 20 0 CCADLP COC[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)OC ZINC000659956959 414001541 /nfs/dbraw/zinc/00/15/41/414001541.db2.gz WWKBOWKRDLVWEN-KBPBESRZSA-N 2 2 272.389 0.302 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CN1CCOCC1 ZINC000659959259 414002224 /nfs/dbraw/zinc/00/22/24/414002224.db2.gz FOHMLKMIRWHDJK-HOTGVXAUSA-N 2 2 299.459 0.484 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CN1CCOCC1 ZINC000659959259 414002232 /nfs/dbraw/zinc/00/22/32/414002232.db2.gz FOHMLKMIRWHDJK-HOTGVXAUSA-N 2 2 299.459 0.484 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000659959259 414002240 /nfs/dbraw/zinc/00/22/40/414002240.db2.gz FOHMLKMIRWHDJK-HOTGVXAUSA-N 2 2 299.459 0.484 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000659959259 414002247 /nfs/dbraw/zinc/00/22/47/414002247.db2.gz FOHMLKMIRWHDJK-HOTGVXAUSA-N 2 2 299.459 0.484 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)CN1CCC[C@H]1C[NH+]1CCOCC1 ZINC000659959259 414002259 /nfs/dbraw/zinc/00/22/59/414002259.db2.gz FOHMLKMIRWHDJK-HOTGVXAUSA-N 2 2 299.459 0.484 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)CN1CCC[C@H]1C[NH+]1CCOCC1 ZINC000659959259 414002269 /nfs/dbraw/zinc/00/22/69/414002269.db2.gz FOHMLKMIRWHDJK-HOTGVXAUSA-N 2 2 299.459 0.484 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@H]2COC(C)(C)C2)CC1 ZINC000660013642 414055955 /nfs/dbraw/zinc/05/59/55/414055955.db2.gz RVDATZADZPEKPW-KGLIPLIRSA-N 2 2 295.427 0.792 20 0 CCADLP CCN1CC[C@H]([N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1=O ZINC000660128855 414139930 /nfs/dbraw/zinc/13/99/30/414139930.db2.gz NVIBLNKOKNGQJV-RYUDHWBXSA-N 2 2 262.357 0.830 20 0 CCADLP CCN1CC[C@H]([N@H+]2CC[C@H](c3[nH+]ccn3C)C2)C1=O ZINC000660128855 414139941 /nfs/dbraw/zinc/13/99/41/414139941.db2.gz NVIBLNKOKNGQJV-RYUDHWBXSA-N 2 2 262.357 0.830 20 0 CCADLP O[C@@]1(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)CCCOC1 ZINC000660418925 414304134 /nfs/dbraw/zinc/30/41/34/414304134.db2.gz GBSKIJIZIVLKGO-CYBMUJFWSA-N 2 2 266.345 0.073 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1c1nc(=N)n(C)[nH]1 ZINC000660468902 414343572 /nfs/dbraw/zinc/34/35/72/414343572.db2.gz HOZTUMLNOMKVMW-NSHDSACASA-N 2 2 275.360 0.570 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1c1nc(=N)n(C)[nH]1 ZINC000660468902 414343578 /nfs/dbraw/zinc/34/35/78/414343578.db2.gz HOZTUMLNOMKVMW-NSHDSACASA-N 2 2 275.360 0.570 20 0 CCADLP CCN1CC[C@H]([N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1=O ZINC000660476459 414350252 /nfs/dbraw/zinc/35/02/52/414350252.db2.gz YQVRYCQOXKYJQY-CABCVRRESA-N 2 2 295.427 0.794 20 0 CCADLP CCN1CC[C@H]([N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)C1=O ZINC000660476459 414350260 /nfs/dbraw/zinc/35/02/60/414350260.db2.gz YQVRYCQOXKYJQY-CABCVRRESA-N 2 2 295.427 0.794 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@](C)(CO)c1cccc(O)c1 ZINC000660561123 414392103 /nfs/dbraw/zinc/39/21/03/414392103.db2.gz QBJCLYRQUCOVRC-JKSUJKDBSA-N 2 2 296.411 0.890 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@](C)(CO)c1cccc(O)c1 ZINC000660561123 414392109 /nfs/dbraw/zinc/39/21/09/414392109.db2.gz QBJCLYRQUCOVRC-JKSUJKDBSA-N 2 2 296.411 0.890 20 0 CCADLP C[N@@H+]1CC[C@]2(CC[NH+](CCc3nnn(C(C)(C)C)n3)C2)C1 ZINC000660616304 414415951 /nfs/dbraw/zinc/41/59/51/414415951.db2.gz JIGVBPUVQLWWNF-HNNXBMFYSA-N 2 2 292.431 0.998 20 0 CCADLP C[N@H+]1CC[C@]2(CC[NH+](CCc3nnn(C(C)(C)C)n3)C2)C1 ZINC000660616304 414415956 /nfs/dbraw/zinc/41/59/56/414415956.db2.gz JIGVBPUVQLWWNF-HNNXBMFYSA-N 2 2 292.431 0.998 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@H+](CCc3nnn(C(C)(C)C)n3)C2)C1 ZINC000660616304 414415961 /nfs/dbraw/zinc/41/59/61/414415961.db2.gz JIGVBPUVQLWWNF-HNNXBMFYSA-N 2 2 292.431 0.998 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@@H+](CCc3nnn(C(C)(C)C)n3)C2)C1 ZINC000660616304 414415967 /nfs/dbraw/zinc/41/59/67/414415967.db2.gz JIGVBPUVQLWWNF-HNNXBMFYSA-N 2 2 292.431 0.998 20 0 CCADLP CC(C)NC(=O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660653692 414429997 /nfs/dbraw/zinc/42/99/97/414429997.db2.gz UTQLLNVIFCJYKG-AWEZNQCLSA-N 2 2 253.390 0.929 20 0 CCADLP CC(C)NC(=O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660653692 414430001 /nfs/dbraw/zinc/43/00/01/414430001.db2.gz UTQLLNVIFCJYKG-AWEZNQCLSA-N 2 2 253.390 0.929 20 0 CCADLP CC(C)NC(=O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660653692 414430008 /nfs/dbraw/zinc/43/00/08/414430008.db2.gz UTQLLNVIFCJYKG-AWEZNQCLSA-N 2 2 253.390 0.929 20 0 CCADLP CC(C)NC(=O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660653692 414430014 /nfs/dbraw/zinc/43/00/14/414430014.db2.gz UTQLLNVIFCJYKG-AWEZNQCLSA-N 2 2 253.390 0.929 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)N[C@@H](C)c2[nH+]ccn2C)C1 ZINC000660704744 414452679 /nfs/dbraw/zinc/45/26/79/414452679.db2.gz CKUFHXCEEWEQCH-NWDGAFQWSA-N 2 2 295.387 0.501 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660843657 414503451 /nfs/dbraw/zinc/50/34/51/414503451.db2.gz GZYAJGXUIFNKQK-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C)[C@H]1CCO ZINC000661490925 414634797 /nfs/dbraw/zinc/63/47/97/414634797.db2.gz FWRCVHAUDDBDJI-SOUVJXGZSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C)[C@H]1CCO ZINC000661490925 414634801 /nfs/dbraw/zinc/63/48/01/414634801.db2.gz FWRCVHAUDDBDJI-SOUVJXGZSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](C)[C@H]1CCO ZINC000661490925 414634805 /nfs/dbraw/zinc/63/48/05/414634805.db2.gz FWRCVHAUDDBDJI-SOUVJXGZSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](C)[C@H]1CCO ZINC000661490925 414634807 /nfs/dbraw/zinc/63/48/07/414634807.db2.gz FWRCVHAUDDBDJI-SOUVJXGZSA-N 2 2 288.432 0.408 20 0 CCADLP c1csc(N2CCC[N@@H+](C[C@@H]3C[NH2+]CCO3)CC2)n1 ZINC000662260815 414702205 /nfs/dbraw/zinc/70/22/05/414702205.db2.gz QROFANJODLRJLD-LBPRGKRZSA-N 2 2 282.413 0.644 20 0 CCADLP c1csc(N2CCC[N@H+](C[C@@H]3C[NH2+]CCO3)CC2)n1 ZINC000662260815 414702206 /nfs/dbraw/zinc/70/22/06/414702206.db2.gz QROFANJODLRJLD-LBPRGKRZSA-N 2 2 282.413 0.644 20 0 CCADLP NS(=O)(=O)c1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)co1 ZINC000662266558 414703154 /nfs/dbraw/zinc/70/31/54/414703154.db2.gz NARHIGBEVQDCTF-QJPTWQEYSA-N 2 2 299.396 0.486 20 0 CCADLP NS(=O)(=O)c1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)co1 ZINC000662266558 414703155 /nfs/dbraw/zinc/70/31/55/414703155.db2.gz NARHIGBEVQDCTF-QJPTWQEYSA-N 2 2 299.396 0.486 20 0 CCADLP CN(C)c1noc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000662267515 414703277 /nfs/dbraw/zinc/70/32/77/414703277.db2.gz WETQCUGPPHUAHX-HBNTYKKESA-N 2 2 265.361 0.695 20 0 CCADLP CN(C)c1noc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000662267515 414703278 /nfs/dbraw/zinc/70/32/78/414703278.db2.gz WETQCUGPPHUAHX-HBNTYKKESA-N 2 2 265.361 0.695 20 0 CCADLP CC(C)CN1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1=O ZINC000662279034 414704934 /nfs/dbraw/zinc/70/49/34/414704934.db2.gz OWVCJVHQAOEESB-ZDUSSCGKSA-N 2 2 281.400 0.308 20 0 CCADLP CC(C)CN1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1=O ZINC000662279034 414704935 /nfs/dbraw/zinc/70/49/35/414704935.db2.gz OWVCJVHQAOEESB-ZDUSSCGKSA-N 2 2 281.400 0.308 20 0 CCADLP O=c1[nH]nc(C2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)[nH]1 ZINC000662281968 414705849 /nfs/dbraw/zinc/70/58/49/414705849.db2.gz NAMPKODKDZAKAM-NSHDSACASA-N 2 2 293.371 0.211 20 0 CCADLP [NH3+]CC12CCC(CC1)C[N@H+]2C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662284981 414706138 /nfs/dbraw/zinc/70/61/38/414706138.db2.gz SRWXRZAYAJAJLJ-ROKHWSDSSA-N 3 2 265.401 0.711 20 0 CCADLP [NH3+]CC[N@@H+](Cc1cccc2ccccc21)C[C@@H](O)CO ZINC000662289391 414707075 /nfs/dbraw/zinc/70/70/75/414707075.db2.gz PZIMJQBUEXCONA-OAHLLOKOSA-N 2 2 274.364 0.954 20 0 CCADLP [NH3+]CC[N@H+](Cc1cccc2ccccc21)C[C@@H](O)CO ZINC000662289391 414707076 /nfs/dbraw/zinc/70/70/76/414707076.db2.gz PZIMJQBUEXCONA-OAHLLOKOSA-N 2 2 274.364 0.954 20 0 CCADLP Cc1cc(C)cc(OCCC[N@H+](CC[NH3+])C[C@H](O)CO)c1 ZINC000662289676 414707160 /nfs/dbraw/zinc/70/71/60/414707160.db2.gz VLQURUWETIYTPZ-HNNXBMFYSA-N 2 2 296.411 0.686 20 0 CCADLP Cc1cc(C)cc(OCCC[N@@H+](CC[NH3+])C[C@H](O)CO)c1 ZINC000662289676 414707161 /nfs/dbraw/zinc/70/71/61/414707161.db2.gz VLQURUWETIYTPZ-HNNXBMFYSA-N 2 2 296.411 0.686 20 0 CCADLP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H](O)C(F)(F)F)CCO1 ZINC000662323096 414709617 /nfs/dbraw/zinc/70/96/17/414709617.db2.gz KSSGUAXQZSNPDA-GHMZBOCLSA-N 2 2 284.322 0.952 20 0 CCADLP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H](O)C(F)(F)F)CCO1 ZINC000662323096 414709618 /nfs/dbraw/zinc/70/96/18/414709618.db2.gz KSSGUAXQZSNPDA-GHMZBOCLSA-N 2 2 284.322 0.952 20 0 CCADLP C[C@]1(C(F)F)C[N@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000662335189 414710823 /nfs/dbraw/zinc/71/08/23/414710823.db2.gz GYGNSZFJVCAXAR-GFCCVEGCSA-N 2 2 263.332 0.248 20 0 CCADLP C[C@]1(C(F)F)C[N@@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000662335189 414710824 /nfs/dbraw/zinc/71/08/24/414710824.db2.gz GYGNSZFJVCAXAR-GFCCVEGCSA-N 2 2 263.332 0.248 20 0 CCADLP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](CCCn3cc[nH+]c3)C[C@H]21 ZINC000661885077 414682236 /nfs/dbraw/zinc/68/22/36/414682236.db2.gz VSUOCCFUNAVCSZ-XQQFMLRXSA-N 2 2 299.396 0.017 20 0 CCADLP CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](CCCn3cc[nH+]c3)C[C@H]21 ZINC000661885077 414682237 /nfs/dbraw/zinc/68/22/37/414682237.db2.gz VSUOCCFUNAVCSZ-XQQFMLRXSA-N 2 2 299.396 0.017 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000662335295 414710843 /nfs/dbraw/zinc/71/08/43/414710843.db2.gz JTYXTSFVQRQLPG-ADEWGFFLSA-N 2 2 266.332 0.701 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000662335295 414710844 /nfs/dbraw/zinc/71/08/44/414710844.db2.gz JTYXTSFVQRQLPG-ADEWGFFLSA-N 2 2 266.332 0.701 20 0 CCADLP C[C@](O)(C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)C(F)(F)F ZINC000662151466 414693407 /nfs/dbraw/zinc/69/34/07/414693407.db2.gz HSXSCDPVXOLAMG-NEPJUHHUSA-N 2 2 296.333 0.831 20 0 CCADLP C[C@](O)(C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)C(F)(F)F ZINC000662151466 414693408 /nfs/dbraw/zinc/69/34/08/414693408.db2.gz HSXSCDPVXOLAMG-NEPJUHHUSA-N 2 2 296.333 0.831 20 0 CCADLP C[C@@H]1CN(CC[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CCO1 ZINC000662150674 414693564 /nfs/dbraw/zinc/69/35/64/414693564.db2.gz AARRNZGNVGMEPM-GDBMZVCRSA-N 2 2 297.443 0.238 20 0 CCADLP C[C@@H]1CN(CC[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)CCO1 ZINC000662150674 414693565 /nfs/dbraw/zinc/69/35/65/414693565.db2.gz AARRNZGNVGMEPM-GDBMZVCRSA-N 2 2 297.443 0.238 20 0 CCADLP CC(C)N(C)C(=O)[C@H](C)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662158402 414694373 /nfs/dbraw/zinc/69/43/73/414694373.db2.gz UBEINXDYFHAYRF-ZFWWWQNUSA-N 2 2 297.443 0.773 20 0 CCADLP CC(C)N(C)C(=O)[C@H](C)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662158402 414694374 /nfs/dbraw/zinc/69/43/74/414694374.db2.gz UBEINXDYFHAYRF-ZFWWWQNUSA-N 2 2 297.443 0.773 20 0 CCADLP O[C@@H]1CC[N@@H+](C2CC[NH+](CCc3cn[nH]c3)CC2)C1 ZINC000662152776 414694596 /nfs/dbraw/zinc/69/45/96/414694596.db2.gz ZQMBMJBOZPRXAT-CQSZACIVSA-N 2 2 264.373 0.483 20 0 CCADLP O[C@@H]1CC[N@H+](C2CC[NH+](CCc3cn[nH]c3)CC2)C1 ZINC000662152776 414694597 /nfs/dbraw/zinc/69/45/97/414694597.db2.gz ZQMBMJBOZPRXAT-CQSZACIVSA-N 2 2 264.373 0.483 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1coc(S(N)(=O)=O)c1 ZINC000662248334 414699068 /nfs/dbraw/zinc/69/90/68/414699068.db2.gz ZLVXDRCAGVVHPP-LLVKDONJSA-N 2 2 289.401 0.732 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1coc(S(N)(=O)=O)c1 ZINC000662248334 414699069 /nfs/dbraw/zinc/69/90/69/414699069.db2.gz ZLVXDRCAGVVHPP-LLVKDONJSA-N 2 2 289.401 0.732 20 0 CCADLP C[NH2+]CC1CC[NH+](Cc2nnn(CC(F)(F)F)n2)CC1 ZINC000662246803 414699135 /nfs/dbraw/zinc/69/91/35/414699135.db2.gz RWPFFBVCJPWIBZ-UHFFFAOYSA-N 2 2 292.309 0.667 20 0 CCADLP NC(=O)c1ccc(C[N@H+](C[C@@H]2C[NH2+]CCO2)C2CC2)cc1 ZINC000662251996 414699700 /nfs/dbraw/zinc/69/97/00/414699700.db2.gz KXUABRIEFKHWRU-HNNXBMFYSA-N 2 2 289.379 0.738 20 0 CCADLP NC(=O)c1ccc(C[N@@H+](C[C@@H]2C[NH2+]CCO2)C2CC2)cc1 ZINC000662251996 414699701 /nfs/dbraw/zinc/69/97/01/414699701.db2.gz KXUABRIEFKHWRU-HNNXBMFYSA-N 2 2 289.379 0.738 20 0 CCADLP CCN(CC)C(=O)C1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662253766 414700223 /nfs/dbraw/zinc/70/02/23/414700223.db2.gz KPHNIZNXOQNMLR-AWEZNQCLSA-N 2 2 283.416 0.555 20 0 CCADLP C(OC1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1)C1CC1 ZINC000662256293 414700557 /nfs/dbraw/zinc/70/05/57/414700557.db2.gz IANIUTSCFPNEER-CQSZACIVSA-N 2 2 254.374 0.866 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)CCOC2C[NH2+]C2)CC1(C)C ZINC000662755266 414766234 /nfs/dbraw/zinc/76/62/34/414766234.db2.gz DCHLLBJMVLJOEM-ZDUSSCGKSA-N 2 2 292.383 0.708 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000662755908 414766458 /nfs/dbraw/zinc/76/64/58/414766458.db2.gz HHVWXTXTZOLZHA-PWSUYJOCSA-N 2 2 280.372 0.693 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)C[C@@H]2C[NH2+]CCO2)CC1(C)C ZINC000662756565 414766705 /nfs/dbraw/zinc/76/67/05/414766705.db2.gz IYFWWUVCJXFFLE-YPMHNXCESA-N 2 2 292.383 0.708 20 0 CCADLP C[NH2+]CCC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000662760589 414769796 /nfs/dbraw/zinc/76/97/96/414769796.db2.gz XQDYMALWLABNCW-LLVKDONJSA-N 2 2 250.346 0.939 20 0 CCADLP COCC[NH2+]CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000662763709 414773877 /nfs/dbraw/zinc/77/38/77/414773877.db2.gz HRRPAWXTLHKZHM-UHFFFAOYSA-N 2 2 276.340 0.609 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000662360410 414711851 /nfs/dbraw/zinc/71/18/51/414711851.db2.gz BOMLXJAYXXPGQU-AWEZNQCLSA-N 2 2 276.384 0.724 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)[C@@H](C[NH3+])C1 ZINC000662429713 414717435 /nfs/dbraw/zinc/71/74/35/414717435.db2.gz RXVZFRQRVUWXCU-XQHKEYJVSA-N 2 2 251.374 0.524 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)[C@@H](C[NH3+])C1 ZINC000662429713 414717436 /nfs/dbraw/zinc/71/74/36/414717436.db2.gz RXVZFRQRVUWXCU-XQHKEYJVSA-N 2 2 251.374 0.524 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000662446795 414719218 /nfs/dbraw/zinc/71/92/18/414719218.db2.gz IXQOPYCZRFGHFH-SRVKXCTJSA-N 2 2 257.378 0.210 20 0 CCADLP CC(C)[NH2+]CC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000662447826 414719262 /nfs/dbraw/zinc/71/92/62/414719262.db2.gz AMRDUSJQGJGGBE-UHFFFAOYSA-N 2 2 279.388 0.062 20 0 CCADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)C[NH2+]C(C)C)CC1 ZINC000662526219 414725658 /nfs/dbraw/zinc/72/56/58/414725658.db2.gz AJEKXMXIFMWULF-UHFFFAOYSA-N 2 2 294.399 0.934 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000662586168 414730658 /nfs/dbraw/zinc/73/06/58/414730658.db2.gz POWIEOKANLNSOC-YWPYICTPSA-N 2 2 292.383 0.901 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000662586168 414730659 /nfs/dbraw/zinc/73/06/59/414730659.db2.gz POWIEOKANLNSOC-YWPYICTPSA-N 2 2 292.383 0.901 20 0 CCADLP COc1ccc(CN(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)cn1 ZINC000662618870 414733251 /nfs/dbraw/zinc/73/32/51/414733251.db2.gz GVRFOUBCZVWMRI-GFCCVEGCSA-N 2 2 280.372 0.328 20 0 CCADLP O=C(NCc1ccc[nH+]c1N1CCCC1)[C@@H]1C[NH2+]CCO1 ZINC000662623289 414734300 /nfs/dbraw/zinc/73/43/00/414734300.db2.gz KTVMJTNUJNBMMR-ZDUSSCGKSA-N 2 2 290.367 0.286 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@]2(C)CC[NH2+]C2)[C@@H](C)CO1 ZINC000662630607 414734881 /nfs/dbraw/zinc/73/48/81/414734881.db2.gz LWUQENBZBKBOJS-OUCADQQQSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@]2(C)CC[NH2+]C2)[C@@H](C)CO1 ZINC000662630607 414734882 /nfs/dbraw/zinc/73/48/82/414734882.db2.gz LWUQENBZBKBOJS-OUCADQQQSA-N 2 2 269.389 0.211 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000662632361 414735147 /nfs/dbraw/zinc/73/51/47/414735147.db2.gz COFBXCJQFUDHBV-OLZOCXBDSA-N 3 2 272.437 0.360 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000662632361 414735148 /nfs/dbraw/zinc/73/51/48/414735148.db2.gz COFBXCJQFUDHBV-OLZOCXBDSA-N 3 2 272.437 0.360 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)c2ccc(C[NH3+])o2)[C@H](C)CO1 ZINC000662632280 414735167 /nfs/dbraw/zinc/73/51/67/414735167.db2.gz ZUKVHIFLGNGHQB-GHMZBOCLSA-N 2 2 281.356 0.577 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(C[NH3+])o2)[C@H](C)CO1 ZINC000662632280 414735168 /nfs/dbraw/zinc/73/51/68/414735168.db2.gz ZUKVHIFLGNGHQB-GHMZBOCLSA-N 2 2 281.356 0.577 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000662633531 414735284 /nfs/dbraw/zinc/73/52/84/414735284.db2.gz MIXPKODHFJLDSS-OAHLLOKOSA-N 3 2 292.427 0.686 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000662633531 414735285 /nfs/dbraw/zinc/73/52/85/414735285.db2.gz MIXPKODHFJLDSS-OAHLLOKOSA-N 3 2 292.427 0.686 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000662632817 414735293 /nfs/dbraw/zinc/73/52/93/414735293.db2.gz UEOBURHXGCKMEX-LSDHHAIUSA-N 3 2 296.459 0.517 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000662632817 414735294 /nfs/dbraw/zinc/73/52/94/414735294.db2.gz UEOBURHXGCKMEX-LSDHHAIUSA-N 3 2 296.459 0.517 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C2([NH3+])CCC2)[C@H](C)CO1 ZINC000662636168 414736057 /nfs/dbraw/zinc/73/60/57/414736057.db2.gz YNTUCFHXQSEDQY-GHMZBOCLSA-N 2 2 255.362 0.093 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2([NH3+])CCC2)[C@H](C)CO1 ZINC000662636168 414736058 /nfs/dbraw/zinc/73/60/58/414736058.db2.gz YNTUCFHXQSEDQY-GHMZBOCLSA-N 2 2 255.362 0.093 20 0 CCADLP O=C([C@H]1CC12CC[NH2+]CC2)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662657342 414737824 /nfs/dbraw/zinc/73/78/24/414737824.db2.gz ZUGLMLYBFBEDHN-UONOGXRCSA-N 2 2 293.411 0.309 20 0 CCADLP CC(C)([NH3+])c1cc(C(=O)NCCC[NH+]2CCOCC2)on1 ZINC000662660877 414738358 /nfs/dbraw/zinc/73/83/58/414738358.db2.gz YTGPMQSZVVXEHC-UHFFFAOYSA-N 2 2 296.371 0.321 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])c[nH+]1 ZINC000662680356 414740497 /nfs/dbraw/zinc/74/04/97/414740497.db2.gz VVHNOKAVOXNPBM-VXGBXAGGSA-N 2 2 278.356 0.128 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)c2cccc3c2C[NH2+]C3)CCO1 ZINC000662700289 414743312 /nfs/dbraw/zinc/74/33/12/414743312.db2.gz GAPWIFGJDBIMBY-GFCCVEGCSA-N 2 2 289.379 0.740 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)c2cccc3c2C[NH2+]C3)CCO1 ZINC000662700289 414743313 /nfs/dbraw/zinc/74/33/13/414743313.db2.gz GAPWIFGJDBIMBY-GFCCVEGCSA-N 2 2 289.379 0.740 20 0 CCADLP Cn1ncc(C2CCC2)c1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000662702360 414743729 /nfs/dbraw/zinc/74/37/29/414743729.db2.gz ZRMFDKJLRBOOIQ-ZDUSSCGKSA-N 2 2 293.415 0.583 20 0 CCADLP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCCCCNc1cccc[nH+]1 ZINC000662710561 414745170 /nfs/dbraw/zinc/74/51/70/414745170.db2.gz HIUXZWWIYOQQHB-CHWSQXEVSA-N 2 2 292.383 0.754 20 0 CCADLP CN(CC(C)(C)[NH3+])C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000662844863 414835940 /nfs/dbraw/zinc/83/59/40/414835940.db2.gz GPNYLHHWNFTYMY-JTQLQIEISA-N 2 2 250.346 0.641 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1c[nH+]ccc1N ZINC000662857215 414850189 /nfs/dbraw/zinc/85/01/89/414850189.db2.gz IEWGUZFOKURXMK-UHFFFAOYSA-N 3 2 279.388 0.107 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1c[nH+]ccc1N ZINC000662857215 414850192 /nfs/dbraw/zinc/85/01/92/414850192.db2.gz IEWGUZFOKURXMK-UHFFFAOYSA-N 3 2 279.388 0.107 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[NH2+]CC2)[C@H](C)CO1 ZINC000662861209 414853209 /nfs/dbraw/zinc/85/32/09/414853209.db2.gz YETCXSJXCDNLJZ-MGPQQGTHSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[NH2+]CC2)[C@H](C)CO1 ZINC000662861209 414853213 /nfs/dbraw/zinc/85/32/13/414853213.db2.gz YETCXSJXCDNLJZ-MGPQQGTHSA-N 2 2 283.416 0.602 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000662965272 414921080 /nfs/dbraw/zinc/92/10/80/414921080.db2.gz IXLAFCHYMAAUAF-CYBMUJFWSA-N 2 2 291.395 0.857 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000662967335 414922501 /nfs/dbraw/zinc/92/25/01/414922501.db2.gz HPFZXCDVGPGYQY-DGCLKSJQSA-N 2 2 269.389 0.354 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000662967335 414922509 /nfs/dbraw/zinc/92/25/09/414922509.db2.gz HPFZXCDVGPGYQY-DGCLKSJQSA-N 2 2 269.389 0.354 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)C[C@H](C[NH3+])OC ZINC000662901286 414881218 /nfs/dbraw/zinc/88/12/18/414881218.db2.gz XYFJHZJZQMIMRG-NXEZZACHSA-N 2 2 254.334 0.444 20 0 CCADLP C[C@@H](C[NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662901835 414882577 /nfs/dbraw/zinc/88/25/77/414882577.db2.gz ZXGYXHVAOJKVEJ-JSGCOSHPSA-N 3 2 282.432 0.208 20 0 CCADLP C[C@@H](C[NH3+])C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662901835 414882579 /nfs/dbraw/zinc/88/25/79/414882579.db2.gz ZXGYXHVAOJKVEJ-JSGCOSHPSA-N 3 2 282.432 0.208 20 0 CCADLP C[C@@H](C[NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662901832 414883502 /nfs/dbraw/zinc/88/35/02/414883502.db2.gz ZXGYXHVAOJKVEJ-GXTWGEPZSA-N 3 2 282.432 0.208 20 0 CCADLP C[C@@H](C[NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662901832 414883504 /nfs/dbraw/zinc/88/35/04/414883504.db2.gz ZXGYXHVAOJKVEJ-GXTWGEPZSA-N 3 2 282.432 0.208 20 0 CCADLP O=C([C@H]1CCCC[NH2+]1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662912303 414887588 /nfs/dbraw/zinc/88/75/88/414887588.db2.gz YHHNWIYFMFUXQE-OAHLLOKOSA-N 2 2 295.427 0.699 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC(C)(C1CC1)C1CC1 ZINC000662916079 414890903 /nfs/dbraw/zinc/89/09/03/414890903.db2.gz UBNBSZUVJKIWEA-LBPRGKRZSA-N 2 2 253.390 0.960 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1CCC[NH2+]CC1)c1[nH+]ccn1C ZINC000662934403 414901474 /nfs/dbraw/zinc/90/14/74/414901474.db2.gz NWBOLXJAOKMONE-GHMZBOCLSA-N 2 2 250.346 0.987 20 0 CCADLP C[C@H](NC(=O)[C@@]1(C)CCC[NH2+]C1)c1[nH+]ccn1C ZINC000662934394 414902495 /nfs/dbraw/zinc/90/24/95/414902495.db2.gz NVEKMLOWUZCUCU-GWCFXTLKSA-N 2 2 250.346 0.987 20 0 CCADLP C[C@H](NC(=O)[C@H]1C[C@@]12CCC[NH2+]C2)c1[nH+]ccn1C ZINC000662934746 414904289 /nfs/dbraw/zinc/90/42/89/414904289.db2.gz QFVKMJUBFCLLPJ-MISXGVKJSA-N 2 2 262.357 0.987 20 0 CCADLP [NH3+]C[C@@H]1CC[N@H+](Cc2nc3c(s2)C[NH2+]CC3)C1 ZINC000663493689 415076067 /nfs/dbraw/zinc/07/60/67/415076067.db2.gz CXUWEIIQIQSTDN-VIFPVBQESA-N 3 2 252.387 0.569 20 0 CCADLP [NH3+]C[C@@H]1CC[N@@H+](Cc2nc3c(s2)C[NH2+]CC3)C1 ZINC000663493689 415076071 /nfs/dbraw/zinc/07/60/71/415076071.db2.gz CXUWEIIQIQSTDN-VIFPVBQESA-N 3 2 252.387 0.569 20 0 CCADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2nc3c(s2)C[NH2+]CC3)C1 ZINC000663495213 415078066 /nfs/dbraw/zinc/07/80/66/415078066.db2.gz VPYNYPVJVOJANV-ZDUSSCGKSA-N 3 2 266.414 0.960 20 0 CCADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2nc3c(s2)C[NH2+]CC3)C1 ZINC000663495213 415078068 /nfs/dbraw/zinc/07/80/68/415078068.db2.gz VPYNYPVJVOJANV-ZDUSSCGKSA-N 3 2 266.414 0.960 20 0 CCADLP Cc1cc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)no1 ZINC000663809624 415140583 /nfs/dbraw/zinc/14/05/83/415140583.db2.gz BQDOCMDIAJWSED-UHFFFAOYSA-N 2 2 297.403 0.666 20 0 CCADLP Cc1cc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)no1 ZINC000663809624 415140589 /nfs/dbraw/zinc/14/05/89/415140589.db2.gz BQDOCMDIAJWSED-UHFFFAOYSA-N 2 2 297.403 0.666 20 0 CCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)N=c1ncnc2[nH][nH]cc1-2 ZINC000664197300 415279012 /nfs/dbraw/zinc/27/90/12/415279012.db2.gz VJSXVKIKPUTHMR-NSHDSACASA-N 2 2 291.403 0.410 20 0 CCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)N=c1ncnc2[nH][nH]cc1-2 ZINC000664197300 415279021 /nfs/dbraw/zinc/27/90/21/415279021.db2.gz VJSXVKIKPUTHMR-NSHDSACASA-N 2 2 291.403 0.410 20 0 CCADLP C[C@H](CCNc1nc2c(cnn2C)c(N)[nH+]1)[NH+](C)C ZINC000664243421 415297927 /nfs/dbraw/zinc/29/79/27/415297927.db2.gz FSKJOKPGKDTKIF-MRVPVSSYSA-N 2 2 263.349 0.698 20 0 CCADLP Cc1nnc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)s1 ZINC000664330299 415344345 /nfs/dbraw/zinc/34/43/45/415344345.db2.gz JDZYECFISUNSJO-UHFFFAOYSA-N 2 2 285.417 0.460 20 0 CCADLP Cc1nnc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)s1 ZINC000664330299 415344350 /nfs/dbraw/zinc/34/43/50/415344350.db2.gz JDZYECFISUNSJO-UHFFFAOYSA-N 2 2 285.417 0.460 20 0 CCADLP C[C@H](O)CNc1cc(N(C)CC2C[NH+](C)C2)nc[nH+]1 ZINC000664331220 415347512 /nfs/dbraw/zinc/34/75/12/415347512.db2.gz OJDIUWUABFKXFX-JTQLQIEISA-N 2 2 265.361 0.267 20 0 CCADLP C[C@H](O)CNc1cc(N(C)CC2C[NH+](C)C2)[nH+]cn1 ZINC000664331220 415347516 /nfs/dbraw/zinc/34/75/16/415347516.db2.gz OJDIUWUABFKXFX-JTQLQIEISA-N 2 2 265.361 0.267 20 0 CCADLP COc1c(N)[nH+]cnc1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664598412 415431026 /nfs/dbraw/zinc/43/10/26/415431026.db2.gz UDQRMBHZCSLAEF-LLVKDONJSA-N 2 2 293.371 0.103 20 0 CCADLP COc1c(N)[nH+]cnc1N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000664598412 415431031 /nfs/dbraw/zinc/43/10/31/415431031.db2.gz UDQRMBHZCSLAEF-LLVKDONJSA-N 2 2 293.371 0.103 20 0 CCADLP COc1c(N)nc[nH+]c1N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664598412 415431039 /nfs/dbraw/zinc/43/10/39/415431039.db2.gz UDQRMBHZCSLAEF-LLVKDONJSA-N 2 2 293.371 0.103 20 0 CCADLP COc1c(N)nc[nH+]c1N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000664598412 415431045 /nfs/dbraw/zinc/43/10/45/415431045.db2.gz UDQRMBHZCSLAEF-LLVKDONJSA-N 2 2 293.371 0.103 20 0 CCADLP C[C@H](CCNC(=O)N[C@H]1CCn2cc[nH+]c2C1)[NH+](C)C ZINC000664713932 415452450 /nfs/dbraw/zinc/45/24/50/415452450.db2.gz CYRDVRDIPWTFSF-NEPJUHHUSA-N 2 2 279.388 0.837 20 0 CCADLP CCN(C(=O)NCCc1cn(C)c[nH+]1)[C@H]1CC[N@H+](C)C1 ZINC000665109266 415537979 /nfs/dbraw/zinc/53/79/79/415537979.db2.gz GRDHKDGYTAKHCA-ZDUSSCGKSA-N 2 2 279.388 0.698 20 0 CCADLP CCN(C(=O)NCCc1cn(C)c[nH+]1)[C@H]1CC[N@@H+](C)C1 ZINC000665109266 415537986 /nfs/dbraw/zinc/53/79/86/415537986.db2.gz GRDHKDGYTAKHCA-ZDUSSCGKSA-N 2 2 279.388 0.698 20 0 CCADLP COC[C@H](CC[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1)OC ZINC000665235152 415572596 /nfs/dbraw/zinc/57/25/96/415572596.db2.gz QKRYRTVGWMYEHI-AVGNSLFASA-N 2 2 260.378 0.395 20 0 CCADLP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292131 415589386 /nfs/dbraw/zinc/58/93/86/415589386.db2.gz UANJHXPXACAZFQ-SKDRFNHKSA-N 2 2 277.372 0.213 20 0 CCADLP Cc1cc(NC(=O)CC[N@@H+](C)[C@@H]2CC[NH2+]C2)no1 ZINC000071310978 176118210 /nfs/dbraw/zinc/11/82/10/176118210.db2.gz UHBWFWWMGKGMAJ-SNVBAGLBSA-N 2 2 252.318 0.605 20 0 CCADLP Cc1cc(NC(=O)CC[N@H+](C)[C@@H]2CC[NH2+]C2)no1 ZINC000071310978 176118211 /nfs/dbraw/zinc/11/82/11/176118211.db2.gz UHBWFWWMGKGMAJ-SNVBAGLBSA-N 2 2 252.318 0.605 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000353433373 287318404 /nfs/dbraw/zinc/31/84/04/287318404.db2.gz UDQMKNZNWXZCIO-AVGNSLFASA-N 2 2 269.389 0.211 20 0 CCADLP CCn1cncc1C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000418082093 228016773 /nfs/dbraw/zinc/01/67/73/228016773.db2.gz WNSOMVWHUBVELV-ZDUSSCGKSA-N 2 2 266.389 0.839 20 0 CCADLP CCn1cncc1C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000418082093 228016774 /nfs/dbraw/zinc/01/67/74/228016774.db2.gz WNSOMVWHUBVELV-ZDUSSCGKSA-N 2 2 266.389 0.839 20 0 CCADLP CC[NH+](CC)CC[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000036828602 544421318 /nfs/dbraw/zinc/42/13/18/544421318.db2.gz FYEACDKXIVNYFA-UHFFFAOYSA-N 2 2 277.434 0.342 20 0 CCADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000088538698 544508874 /nfs/dbraw/zinc/50/88/74/544508874.db2.gz JCBGQJJHJXCLDL-UHFFFAOYSA-N 2 2 289.401 0.604 20 0 CCADLP C[N@@H+]1CCN(C(=O)c2cccc3c2CCCN3)[C@@H](C[NH3+])C1 ZINC000127680712 544606947 /nfs/dbraw/zinc/60/69/47/544606947.db2.gz RTOXGZKKTCPIKV-LBPRGKRZSA-N 2 2 288.395 0.760 20 0 CCADLP C[N@H+]1CCN(C(=O)c2cccc3c2CCCN3)[C@@H](C[NH3+])C1 ZINC000127680712 544606953 /nfs/dbraw/zinc/60/69/53/544606953.db2.gz RTOXGZKKTCPIKV-LBPRGKRZSA-N 2 2 288.395 0.760 20 0 CCADLP COC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)C1CC1 ZINC000153361122 544663407 /nfs/dbraw/zinc/66/34/07/544663407.db2.gz VHLKAQBQDBQFCG-OCCSQVGLSA-N 2 2 256.390 0.969 20 0 CCADLP COC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)C1CC1 ZINC000153361236 544664355 /nfs/dbraw/zinc/66/43/55/544664355.db2.gz VHLKAQBQDBQFCG-GXTWGEPZSA-N 2 2 256.390 0.969 20 0 CCADLP C[NH2+]Cc1cn(Cc2[nH+]ccc(OC)c2OC)nn1 ZINC000232198832 544862850 /nfs/dbraw/zinc/86/28/50/544862850.db2.gz BZQCPPYLXUZVBY-UHFFFAOYSA-N 2 2 263.301 0.458 20 0 CCADLP Cc1nc(NCC2CC[NH+](CCO)CC2)nc(N(C)C)[nH+]1 ZINC000488357844 420305465 /nfs/dbraw/zinc/30/54/65/420305465.db2.gz QEKNOBXDRUHIEA-UHFFFAOYSA-N 2 2 294.403 0.362 20 0 CCADLP Cc1nc(N(C)C)nc(NCC2CC[NH+](CCO)CC2)[nH+]1 ZINC000488357844 420305468 /nfs/dbraw/zinc/30/54/68/420305468.db2.gz QEKNOBXDRUHIEA-UHFFFAOYSA-N 2 2 294.403 0.362 20 0 CCADLP Cn1ncc2c1nc(N)[nH+]c2NCCC[NH+]1CCOCC1 ZINC000521899195 420392798 /nfs/dbraw/zinc/39/27/98/420392798.db2.gz NPVZBROPZHNPEU-UHFFFAOYSA-N 2 2 291.359 0.080 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCCO2)CC[C@H]1[NH3+] ZINC000251628528 544927441 /nfs/dbraw/zinc/92/74/41/544927441.db2.gz FIQJNWZCGXCHOZ-FRRDWIJNSA-N 2 2 269.389 0.341 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCCO2)CC[C@H]1[NH3+] ZINC000251628528 544927444 /nfs/dbraw/zinc/92/74/44/544927444.db2.gz FIQJNWZCGXCHOZ-FRRDWIJNSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1c[nH+]cn1C ZINC000291355347 544971484 /nfs/dbraw/zinc/97/14/84/544971484.db2.gz XVFULUKTMOMMQQ-NSHDSACASA-N 2 2 266.345 0.005 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCc1c[nH+]cn1C ZINC000291355344 544972181 /nfs/dbraw/zinc/97/21/81/544972181.db2.gz XVFULUKTMOMMQQ-LLVKDONJSA-N 2 2 266.345 0.005 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)CN(C)Cc1[nH+]ccn1C ZINC000311023645 545012575 /nfs/dbraw/zinc/01/25/75/545012575.db2.gz MBOCKGSJVPWSFI-LBPRGKRZSA-N 2 2 254.378 0.553 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)CN(C)Cc1[nH+]ccn1C ZINC000311023645 545012577 /nfs/dbraw/zinc/01/25/77/545012577.db2.gz MBOCKGSJVPWSFI-LBPRGKRZSA-N 2 2 254.378 0.553 20 0 CCADLP C[C@H](CNC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000333934840 545044838 /nfs/dbraw/zinc/04/48/38/545044838.db2.gz IVRICTBSYIWZPC-RDBSUJKOSA-N 2 2 298.431 0.394 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CN(C)CC[NH+]2C)CC[N@@H+]1C ZINC000332930115 545036437 /nfs/dbraw/zinc/03/64/37/545036437.db2.gz PSZVEGCRXXVESM-HZSPNIEDSA-N 2 2 297.447 0.014 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CN(C)CC[NH+]2C)CC[N@H+]1C ZINC000332930115 545036440 /nfs/dbraw/zinc/03/64/40/545036440.db2.gz PSZVEGCRXXVESM-HZSPNIEDSA-N 2 2 297.447 0.014 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)CC[NH+]1C ZINC000332930115 545036441 /nfs/dbraw/zinc/03/64/41/545036441.db2.gz PSZVEGCRXXVESM-HZSPNIEDSA-N 2 2 297.447 0.014 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)CC[NH+]1C ZINC000332930115 545036442 /nfs/dbraw/zinc/03/64/42/545036442.db2.gz PSZVEGCRXXVESM-HZSPNIEDSA-N 2 2 297.447 0.014 20 0 CCADLP C[C@H]([NH3+])CN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000521880984 260223697 /nfs/dbraw/zinc/22/36/97/260223697.db2.gz MLSJLSYLQVBZEM-ZDUSSCGKSA-N 2 2 291.395 0.923 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@H](OCCO)C2)n1C ZINC000331240401 264176193 /nfs/dbraw/zinc/17/61/93/264176193.db2.gz LPMMPJPEMAKEOZ-ZDUSSCGKSA-N 2 2 282.388 0.459 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@H](OCCO)C2)n1C ZINC000331240401 264176194 /nfs/dbraw/zinc/17/61/94/264176194.db2.gz LPMMPJPEMAKEOZ-ZDUSSCGKSA-N 2 2 282.388 0.459 20 0 CCADLP C[C@@H](CC(=O)NCC[C@@H]1CC[NH2+]C1)n1cc[nH+]c1 ZINC000519172981 265357530 /nfs/dbraw/zinc/35/75/30/265357530.db2.gz AZAXREWXZZZKSX-RYUDHWBXSA-N 2 2 250.346 0.950 20 0 CCADLP c1cc2c(nc[nH+]c2N2CC[NH+]([C@H]3CCOC3)CC2)[nH]1 ZINC000366854463 275065096 /nfs/dbraw/zinc/06/50/96/275065096.db2.gz PROHXHRBLKDZOR-NSHDSACASA-N 2 2 273.340 0.869 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H](C)C1 ZINC000367714528 276191685 /nfs/dbraw/zinc/19/16/85/276191685.db2.gz CIWGEGWRYIZZEI-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H](C)C1 ZINC000367714528 276191686 /nfs/dbraw/zinc/19/16/86/276191686.db2.gz CIWGEGWRYIZZEI-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCN(C(N)=O)CC1 ZINC000037213895 276373173 /nfs/dbraw/zinc/37/31/73/276373173.db2.gz HDKCMZHXJLYQGC-GFCCVEGCSA-N 2 2 254.378 0.603 20 0 CCADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C1CCN(C(N)=O)CC1 ZINC000037213895 276373176 /nfs/dbraw/zinc/37/31/76/276373176.db2.gz HDKCMZHXJLYQGC-GFCCVEGCSA-N 2 2 254.378 0.603 20 0 CCADLP C[NH+](C)C/C=C\C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000492942498 276764702 /nfs/dbraw/zinc/76/47/02/276764702.db2.gz AGFFEILPNARSBL-ALCCZGGFSA-N 2 2 276.384 0.996 20 0 CCADLP C([NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)[C@H]1CCCCO1 ZINC000422707198 276813862 /nfs/dbraw/zinc/81/38/62/276813862.db2.gz WBDAXECEMSKYKE-MCIONIFRSA-N 2 2 254.374 0.912 20 0 CCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@H]2C1 ZINC000352807901 277143120 /nfs/dbraw/zinc/14/31/20/277143120.db2.gz XJPYCINNDQWCRV-IPYPFGDCSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@H]2C1 ZINC000352807901 277143121 /nfs/dbraw/zinc/14/31/21/277143121.db2.gz XJPYCINNDQWCRV-IPYPFGDCSA-N 2 2 288.395 0.998 20 0 CCADLP COC(=O)[C@]1(C)CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351539756 277144302 /nfs/dbraw/zinc/14/43/02/277144302.db2.gz VEBGTLYWZJHPLZ-TZMCWYRMSA-N 2 2 270.373 0.327 20 0 CCADLP COC(=O)[C@]1(C)CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351539756 277144303 /nfs/dbraw/zinc/14/43/03/277144303.db2.gz VEBGTLYWZJHPLZ-TZMCWYRMSA-N 2 2 270.373 0.327 20 0 CCADLP COC(=O)[C@]1(C)CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000351539756 277144304 /nfs/dbraw/zinc/14/43/04/277144304.db2.gz VEBGTLYWZJHPLZ-TZMCWYRMSA-N 2 2 270.373 0.327 20 0 CCADLP COC(=O)[C@]1(C)CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351539756 277144305 /nfs/dbraw/zinc/14/43/05/277144305.db2.gz VEBGTLYWZJHPLZ-TZMCWYRMSA-N 2 2 270.373 0.327 20 0 CCADLP C[N@@H+]1CC[C@@H]2OCCN(C(=O)/C=C/c3[nH]cc[nH+]3)[C@H]2C1 ZINC000493074309 277150090 /nfs/dbraw/zinc/15/00/90/277150090.db2.gz ULOZMFSMRXARRX-QVWGBTSJSA-N 2 2 276.340 0.354 20 0 CCADLP C[N@H+]1CC[C@@H]2OCCN(C(=O)/C=C/c3[nH]cc[nH+]3)[C@H]2C1 ZINC000493074309 277150091 /nfs/dbraw/zinc/15/00/91/277150091.db2.gz ULOZMFSMRXARRX-QVWGBTSJSA-N 2 2 276.340 0.354 20 0 CCADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC000346327544 277160250 /nfs/dbraw/zinc/16/02/50/277160250.db2.gz QJCHODQYBSRMFD-XJKSGUPXSA-N 2 2 288.395 1.000 20 0 CCADLP C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC000346327544 277160251 /nfs/dbraw/zinc/16/02/51/277160251.db2.gz QJCHODQYBSRMFD-XJKSGUPXSA-N 2 2 288.395 1.000 20 0 CCADLP C[C@@]1(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)CC[NH2+]C1 ZINC000262068737 278121840 /nfs/dbraw/zinc/12/18/40/278121840.db2.gz RWCNXAMIEZPUOT-NXEZZACHSA-N 2 2 252.280 0.985 20 0 CCADLP C[C@@]1(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)CC[NH2+]C1 ZINC000262068737 278121841 /nfs/dbraw/zinc/12/18/41/278121841.db2.gz RWCNXAMIEZPUOT-NXEZZACHSA-N 2 2 252.280 0.985 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173637711 278148457 /nfs/dbraw/zinc/14/84/57/278148457.db2.gz DTFHVSZNTQLXDV-MNOVXSKESA-N 2 2 270.377 0.376 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173637711 278148459 /nfs/dbraw/zinc/14/84/59/278148459.db2.gz DTFHVSZNTQLXDV-MNOVXSKESA-N 2 2 270.377 0.376 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173637711 278148461 /nfs/dbraw/zinc/14/84/61/278148461.db2.gz DTFHVSZNTQLXDV-MNOVXSKESA-N 2 2 270.377 0.376 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173637711 278148462 /nfs/dbraw/zinc/14/84/62/278148462.db2.gz DTFHVSZNTQLXDV-MNOVXSKESA-N 2 2 270.377 0.376 20 0 CCADLP CS[C@@H]1CN([C@H](C)C[NH+]2CCOCC2)C[C@H]1[NH+](C)C ZINC000343618268 278156298 /nfs/dbraw/zinc/15/62/98/278156298.db2.gz FCLOHHBPLBFYAD-MGPQQGTHSA-N 2 2 287.473 0.685 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000417044504 278193844 /nfs/dbraw/zinc/19/38/44/278193844.db2.gz YQSCKWHWISTANL-HZSPNIEDSA-N 2 2 298.431 0.618 20 0 CCADLP CC(=O)[C@@H](NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C)C(C)C ZINC000420316610 278225143 /nfs/dbraw/zinc/22/51/43/278225143.db2.gz MSGJWJIANPCVMI-KBPBESRZSA-N 2 2 271.405 0.679 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430565784 278365682 /nfs/dbraw/zinc/36/56/82/278365682.db2.gz GITUMHPPTXSGSR-ZDUSSCGKSA-N 2 2 270.377 0.328 20 0 CCADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NC2CC2)C1 ZINC000362396663 279040031 /nfs/dbraw/zinc/04/00/31/279040031.db2.gz CJEMDOULAXSSQD-VXGBXAGGSA-N 2 2 253.390 0.927 20 0 CCADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NC2CC2)C1 ZINC000362396663 279040032 /nfs/dbraw/zinc/04/00/32/279040032.db2.gz CJEMDOULAXSSQD-VXGBXAGGSA-N 2 2 253.390 0.927 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)NC2CC2)C1 ZINC000362396663 279040035 /nfs/dbraw/zinc/04/00/35/279040035.db2.gz CJEMDOULAXSSQD-VXGBXAGGSA-N 2 2 253.390 0.927 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)NC2CC2)C1 ZINC000362396663 279040036 /nfs/dbraw/zinc/04/00/36/279040036.db2.gz CJEMDOULAXSSQD-VXGBXAGGSA-N 2 2 253.390 0.927 20 0 CCADLP CC[NH+](CC)CC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000367718007 279089091 /nfs/dbraw/zinc/08/90/91/279089091.db2.gz WYCYRADHEABORQ-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1C)C2 ZINC000335861285 279160572 /nfs/dbraw/zinc/16/05/72/279160572.db2.gz AKBQAADKVYTNBB-DGCLKSJQSA-N 2 2 276.384 0.916 20 0 CCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1C)C2 ZINC000335861285 279160573 /nfs/dbraw/zinc/16/05/73/279160573.db2.gz AKBQAADKVYTNBB-DGCLKSJQSA-N 2 2 276.384 0.916 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000414701638 279179285 /nfs/dbraw/zinc/17/92/85/279179285.db2.gz ATHQFDULAMGZNG-UONOGXRCSA-N 3 2 282.432 0.256 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000414701638 279179288 /nfs/dbraw/zinc/17/92/88/279179288.db2.gz ATHQFDULAMGZNG-UONOGXRCSA-N 3 2 282.432 0.256 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000361417514 279218663 /nfs/dbraw/zinc/21/86/63/279218663.db2.gz OKPSAXSGRGIGQO-VXGBXAGGSA-N 2 2 282.388 0.378 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000361417514 279218664 /nfs/dbraw/zinc/21/86/64/279218664.db2.gz OKPSAXSGRGIGQO-VXGBXAGGSA-N 2 2 282.388 0.378 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000422752100 279314481 /nfs/dbraw/zinc/31/44/81/279314481.db2.gz GWNCALBQMYKZID-RFQIPJPRSA-N 3 2 255.406 0.813 20 0 CCADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000422752100 279314483 /nfs/dbraw/zinc/31/44/83/279314483.db2.gz GWNCALBQMYKZID-RFQIPJPRSA-N 3 2 255.406 0.813 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC000134198248 279372507 /nfs/dbraw/zinc/37/25/07/279372507.db2.gz NAVQZXOQFBAXQW-WOPDTQHZSA-N 2 2 271.405 0.646 20 0 CCADLP CC[NH+]1CCOC[C@H]1C(=O)NCC[N@H+](C)C(C)C ZINC000342384344 279381731 /nfs/dbraw/zinc/38/17/31/279381731.db2.gz VSHMJQKEVKCGRI-LBPRGKRZSA-N 2 2 257.378 0.164 20 0 CCADLP CC[NH+]1CCOC[C@H]1C(=O)NCC[N@@H+](C)C(C)C ZINC000342384344 279381733 /nfs/dbraw/zinc/38/17/33/279381733.db2.gz VSHMJQKEVKCGRI-LBPRGKRZSA-N 2 2 257.378 0.164 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)NCC[NH+](C)C(C)C ZINC000342384344 279381729 /nfs/dbraw/zinc/38/17/29/279381729.db2.gz VSHMJQKEVKCGRI-LBPRGKRZSA-N 2 2 257.378 0.164 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)NCC[NH+](C)C(C)C ZINC000342384344 279381726 /nfs/dbraw/zinc/38/17/26/279381726.db2.gz VSHMJQKEVKCGRI-LBPRGKRZSA-N 2 2 257.378 0.164 20 0 CCADLP O=C(NC1CC[NH+](C2CC2)CC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262900111 279825808 /nfs/dbraw/zinc/82/58/08/279825808.db2.gz DMJBNSRLMKEMGA-NSHDSACASA-N 2 2 273.327 0.727 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000494686195 279871170 /nfs/dbraw/zinc/87/11/70/279871170.db2.gz MYFSTNDDYFPKPR-SDDRHHMPSA-N 2 2 257.378 0.195 20 0 CCADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000262372658 280057645 /nfs/dbraw/zinc/05/76/45/280057645.db2.gz WHZGYEPMOKSZMU-YPMHNXCESA-N 2 2 267.373 0.060 20 0 CCADLP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)CCN1C1CC[NH+](C)CC1 ZINC000343762151 288253370 /nfs/dbraw/zinc/25/33/70/288253370.db2.gz KMYMZRIKNBHWPA-HIFRSBDPSA-N 2 2 294.443 0.317 20 0 CCADLP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)CCN1C1CC[NH+](C)CC1 ZINC000343762151 288253372 /nfs/dbraw/zinc/25/33/72/288253372.db2.gz KMYMZRIKNBHWPA-HIFRSBDPSA-N 2 2 294.443 0.317 20 0 CCADLP CC1(CNC(=O)CCn2cc[nH+]c2)CC[NH2+]CC1 ZINC000129111595 281564213 /nfs/dbraw/zinc/56/42/13/281564213.db2.gz YXYKHCWNUOUMGX-UHFFFAOYSA-N 2 2 250.346 0.779 20 0 CCADLP CN(C(=O)/C=C\c1[nH]cc[nH+]1)C(C)(C)C[NH+]1CCOCC1 ZINC000493452274 288775986 /nfs/dbraw/zinc/77/59/86/288775986.db2.gz DHCVSRQUFQCPDA-PLNGDYQASA-N 2 2 292.383 0.992 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCOC[C@@H]2C2CC2)C1 ZINC000367346307 289195947 /nfs/dbraw/zinc/19/59/47/289195947.db2.gz JBYFXJOFPRZMMB-DZGCQCFKSA-N 2 2 295.427 0.507 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCOC[C@@H]2C2CC2)C1 ZINC000367346307 289195949 /nfs/dbraw/zinc/19/59/49/289195949.db2.gz JBYFXJOFPRZMMB-DZGCQCFKSA-N 2 2 295.427 0.507 20 0 CCADLP CN(C)[C@@H](C(=O)NCC[NH+]1CCCCC1)c1c[nH+]cn1C ZINC000280683921 289273020 /nfs/dbraw/zinc/27/30/20/289273020.db2.gz CQNKWRXAUBPJOI-CQSZACIVSA-N 2 2 293.415 0.625 20 0 CCADLP C[C@H](C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)[NH+]1CCOCC1 ZINC000342718777 289312614 /nfs/dbraw/zinc/31/26/14/289312614.db2.gz GTZMLJCBDUZDKN-ZOBORPQBSA-N 2 2 281.400 0.293 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157199579 289340439 /nfs/dbraw/zinc/34/04/39/289340439.db2.gz YHTFUWBDCXBYCT-NEPJUHHUSA-N 2 2 282.388 0.520 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157199579 289340441 /nfs/dbraw/zinc/34/04/41/289340441.db2.gz YHTFUWBDCXBYCT-NEPJUHHUSA-N 2 2 282.388 0.520 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335749422 289345120 /nfs/dbraw/zinc/34/51/20/289345120.db2.gz SZOXHMOHVGMWLF-BXUZGUMPSA-N 2 2 251.374 0.681 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000335749422 289345124 /nfs/dbraw/zinc/34/51/24/289345124.db2.gz SZOXHMOHVGMWLF-BXUZGUMPSA-N 2 2 251.374 0.681 20 0 CCADLP C[C@H](C(=O)NC1CC1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000335749422 289345127 /nfs/dbraw/zinc/34/51/27/289345127.db2.gz SZOXHMOHVGMWLF-BXUZGUMPSA-N 2 2 251.374 0.681 20 0 CCADLP C[C@H](C(=O)NC1CC1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000335749422 289345130 /nfs/dbraw/zinc/34/51/30/289345130.db2.gz SZOXHMOHVGMWLF-BXUZGUMPSA-N 2 2 251.374 0.681 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)[C@H](c2ccccc2)C1 ZINC000043707461 290021853 /nfs/dbraw/zinc/02/18/53/290021853.db2.gz RXKYVWVOBOWIHQ-GJZGRUSLSA-N 2 2 289.379 0.490 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)[C@H](c2ccccc2)C1 ZINC000043707461 290021854 /nfs/dbraw/zinc/02/18/54/290021854.db2.gz RXKYVWVOBOWIHQ-GJZGRUSLSA-N 2 2 289.379 0.490 20 0 CCADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cc(=O)n4[nH]ccc4n3)C2)C1 ZINC000366536580 290252188 /nfs/dbraw/zinc/25/21/88/290252188.db2.gz YXFZVBHMCANCNX-HNNXBMFYSA-N 2 2 287.367 0.550 20 0 CCADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc(=O)n4[nH]ccc4n3)C2)C1 ZINC000366536580 290252190 /nfs/dbraw/zinc/25/21/90/290252190.db2.gz YXFZVBHMCANCNX-HNNXBMFYSA-N 2 2 287.367 0.550 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cc(=O)n4[nH]ccc4n3)C2)C1 ZINC000366536580 290252191 /nfs/dbraw/zinc/25/21/91/290252191.db2.gz YXFZVBHMCANCNX-HNNXBMFYSA-N 2 2 287.367 0.550 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cc(=O)n4[nH]ccc4n3)C2)C1 ZINC000366536580 290252192 /nfs/dbraw/zinc/25/21/92/290252192.db2.gz YXFZVBHMCANCNX-HNNXBMFYSA-N 2 2 287.367 0.550 20 0 CCADLP COC[C@H](C)[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000133732975 293033712 /nfs/dbraw/zinc/03/37/12/293033712.db2.gz RXETXALVTAAIIE-AWEZNQCLSA-N 2 2 293.415 0.613 20 0 CCADLP NC(=O)NC(=O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157539634 295073741 /nfs/dbraw/zinc/07/37/41/295073741.db2.gz ZMUHUSWSBXCETG-NSHDSACASA-N 2 2 268.361 0.132 20 0 CCADLP NC(=O)NC(=O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157539634 295073744 /nfs/dbraw/zinc/07/37/44/295073744.db2.gz ZMUHUSWSBXCETG-NSHDSACASA-N 2 2 268.361 0.132 20 0 CCADLP COc1ccccc1OCC[N@H+](CC[NH3+])CCO ZINC000342403599 295375933 /nfs/dbraw/zinc/37/59/33/295375933.db2.gz VBEINYSKDREORB-UHFFFAOYSA-N 2 2 254.330 0.327 20 0 CCADLP COc1ccccc1OCC[N@@H+](CC[NH3+])CCO ZINC000342403599 295375935 /nfs/dbraw/zinc/37/59/35/295375935.db2.gz VBEINYSKDREORB-UHFFFAOYSA-N 2 2 254.330 0.327 20 0 CCADLP [NH3+]C1(CC(=O)N2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000398161263 545088961 /nfs/dbraw/zinc/08/89/61/545088961.db2.gz IDDNCCKQJMIANL-UHFFFAOYSA-N 2 2 274.368 0.607 20 0 CCADLP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394397541 545088034 /nfs/dbraw/zinc/08/80/34/545088034.db2.gz CIHAWVPJVHVKFA-LSDHHAIUSA-N 2 2 296.459 0.504 20 0 CCADLP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000394397541 545088035 /nfs/dbraw/zinc/08/80/35/545088035.db2.gz CIHAWVPJVHVKFA-LSDHHAIUSA-N 2 2 296.459 0.504 20 0 CCADLP O=C(CC[C@@H]1CCC[NH2+]1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394380312 545088118 /nfs/dbraw/zinc/08/81/18/545088118.db2.gz NTJJBXHOYHNNIC-KBPBESRZSA-N 2 2 280.416 0.025 20 0 CCADLP O=C(CC[C@@H]1CCC[NH2+]1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000394380312 545088119 /nfs/dbraw/zinc/08/81/19/545088119.db2.gz NTJJBXHOYHNNIC-KBPBESRZSA-N 2 2 280.416 0.025 20 0 CCADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414976218 298877118 /nfs/dbraw/zinc/87/71/18/298877118.db2.gz NQDZLINQMIZKQT-QLFBSQMISA-N 3 2 268.449 0.790 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCCC[NH2+]C1CC1 ZINC000416439016 298928979 /nfs/dbraw/zinc/92/89/79/298928979.db2.gz BJPXZZZFFHKIEJ-LLVKDONJSA-N 2 2 265.361 0.713 20 0 CCADLP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000517567151 303366292 /nfs/dbraw/zinc/36/62/92/303366292.db2.gz BOWLILKQAJEKIQ-MCIONIFRSA-N 3 2 280.416 0.010 20 0 CCADLP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000517567151 303366294 /nfs/dbraw/zinc/36/62/94/303366294.db2.gz BOWLILKQAJEKIQ-MCIONIFRSA-N 3 2 280.416 0.010 20 0 CCADLP COc1cc(C)nc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000358169146 533701753 /nfs/dbraw/zinc/70/17/53/533701753.db2.gz QSSSDWOJLUOOLU-AWEZNQCLSA-N 2 2 265.357 0.555 20 0 CCADLP COc1cc(C)nc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000358169146 533701767 /nfs/dbraw/zinc/70/17/67/533701767.db2.gz QSSSDWOJLUOOLU-AWEZNQCLSA-N 2 2 265.357 0.555 20 0 CCADLP CC[N@@H+](Cc1ccccn1)C[C@@H](O)C[NH+](C)CCOC ZINC000380413514 328068614 /nfs/dbraw/zinc/06/86/14/328068614.db2.gz FLRGHUAIPVOMKO-HNNXBMFYSA-N 2 2 281.400 0.843 20 0 CCADLP CC[N@H+](Cc1ccccn1)C[C@@H](O)C[NH+](C)CCOC ZINC000380413514 328068615 /nfs/dbraw/zinc/06/86/15/328068615.db2.gz FLRGHUAIPVOMKO-HNNXBMFYSA-N 2 2 281.400 0.843 20 0 CCADLP CC[NH+](Cc1ccccn1)C[C@@H](O)C[N@H+](C)CCOC ZINC000380413514 328068616 /nfs/dbraw/zinc/06/86/16/328068616.db2.gz FLRGHUAIPVOMKO-HNNXBMFYSA-N 2 2 281.400 0.843 20 0 CCADLP CC[NH+](Cc1ccccn1)C[C@@H](O)C[N@@H+](C)CCOC ZINC000380413514 328068617 /nfs/dbraw/zinc/06/86/17/328068617.db2.gz FLRGHUAIPVOMKO-HNNXBMFYSA-N 2 2 281.400 0.843 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](CCO)[C@@H]1CC[C@@H](C)C1 ZINC000582793564 329210510 /nfs/dbraw/zinc/21/05/10/329210510.db2.gz HDUVOYFDYZBDHN-KFWWJZLASA-N 2 2 288.432 0.408 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000582794810 329211419 /nfs/dbraw/zinc/21/14/19/329211419.db2.gz RCMABJLMMDNDHY-OLZOCXBDSA-N 2 2 286.420 0.035 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000582794810 329211421 /nfs/dbraw/zinc/21/14/21/329211421.db2.gz RCMABJLMMDNDHY-OLZOCXBDSA-N 2 2 286.420 0.035 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000582794810 329211422 /nfs/dbraw/zinc/21/14/22/329211422.db2.gz RCMABJLMMDNDHY-OLZOCXBDSA-N 2 2 286.420 0.035 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000582794810 329211424 /nfs/dbraw/zinc/21/14/24/329211424.db2.gz RCMABJLMMDNDHY-OLZOCXBDSA-N 2 2 286.420 0.035 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000575320098 335093150 /nfs/dbraw/zinc/09/31/50/335093150.db2.gz LZQANQGZIHSAAZ-LBPRGKRZSA-N 2 2 288.355 0.769 20 0 CCADLP C[C@@H](CC(=O)N=c1ccn(CC[NH+](C)C)[nH]1)n1cc[nH+]c1 ZINC000583938516 326802403 /nfs/dbraw/zinc/80/24/03/326802403.db2.gz ZMRSEIZZNRPAAG-LBPRGKRZSA-N 2 2 290.371 0.653 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@@H]2CCCS2)C[C@@H](C)O1 ZINC000576508712 327033921 /nfs/dbraw/zinc/03/39/21/327033921.db2.gz IHMVTXYDUTXGRG-SYQHCUMBSA-N 2 2 288.457 0.942 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@H]3CC[NH2+][C@@H]3C)CC2)cc[nH+]1 ZINC000566008483 327112906 /nfs/dbraw/zinc/11/29/06/327112906.db2.gz JJUBPYXEXKZTML-YPMHNXCESA-N 2 2 289.383 0.432 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000583383581 327336086 /nfs/dbraw/zinc/33/60/86/327336086.db2.gz LKSBASLCWZUMFN-CHWSQXEVSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000583383581 327336087 /nfs/dbraw/zinc/33/60/87/327336087.db2.gz LKSBASLCWZUMFN-CHWSQXEVSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](O)COC1CCOCC1 ZINC000574565535 327349364 /nfs/dbraw/zinc/34/93/64/327349364.db2.gz VKLJTZKCYKRXHG-XNRPHZJLSA-N 2 2 298.427 0.615 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](O)COC1CCOCC1 ZINC000574565535 327349366 /nfs/dbraw/zinc/34/93/66/327349366.db2.gz VKLJTZKCYKRXHG-XNRPHZJLSA-N 2 2 298.427 0.615 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000583443269 327368302 /nfs/dbraw/zinc/36/83/02/327368302.db2.gz FZEDMQUCRMTPAB-LLVKDONJSA-N 2 2 273.340 0.538 20 0 CCADLP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+](C)C)c1 ZINC000574878647 327390826 /nfs/dbraw/zinc/39/08/26/327390826.db2.gz VTVNRLKOUNLSNJ-CABCVRRESA-N 2 2 296.411 0.555 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](CCO)[C@@H]1CC[C@@H](C)C1 ZINC000582793564 329210505 /nfs/dbraw/zinc/21/05/05/329210505.db2.gz HDUVOYFDYZBDHN-KFWWJZLASA-N 2 2 288.432 0.408 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](CCO)[C@@H]1CC[C@@H](C)C1 ZINC000582793564 329210507 /nfs/dbraw/zinc/21/05/07/329210507.db2.gz HDUVOYFDYZBDHN-KFWWJZLASA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](CCO)[C@@H]1CC[C@@H](C)C1 ZINC000582793564 329210508 /nfs/dbraw/zinc/21/05/08/329210508.db2.gz HDUVOYFDYZBDHN-KFWWJZLASA-N 2 2 288.432 0.408 20 0 CCADLP C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000582962397 329290465 /nfs/dbraw/zinc/29/04/65/329290465.db2.gz TXXINNUMCRYUEW-SCZZXKLOSA-N 2 2 254.359 0.305 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000582972762 329297011 /nfs/dbraw/zinc/29/70/11/329297011.db2.gz ILFQBLDQAFCFPS-NWDGAFQWSA-N 2 2 280.372 0.425 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000582972762 329297013 /nfs/dbraw/zinc/29/70/13/329297013.db2.gz ILFQBLDQAFCFPS-NWDGAFQWSA-N 2 2 280.372 0.425 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000582972762 329297014 /nfs/dbraw/zinc/29/70/14/329297014.db2.gz ILFQBLDQAFCFPS-NWDGAFQWSA-N 2 2 280.372 0.425 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000582972762 329297016 /nfs/dbraw/zinc/29/70/16/329297016.db2.gz ILFQBLDQAFCFPS-NWDGAFQWSA-N 2 2 280.372 0.425 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000580432068 330131882 /nfs/dbraw/zinc/13/18/82/330131882.db2.gz QGYWORHQZZLCOS-SMDDNHRTSA-N 2 2 282.388 0.296 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000580432068 330131883 /nfs/dbraw/zinc/13/18/83/330131883.db2.gz QGYWORHQZZLCOS-SMDDNHRTSA-N 2 2 282.388 0.296 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NCCC1=CC[NH2+]CC1 ZINC000580466487 330143520 /nfs/dbraw/zinc/14/35/20/330143520.db2.gz CEQDINGHIZGWGJ-UHFFFAOYSA-N 2 2 263.345 0.861 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)NCCC1=CC[NH2+]CC1 ZINC000580466487 330143521 /nfs/dbraw/zinc/14/35/21/330143521.db2.gz CEQDINGHIZGWGJ-UHFFFAOYSA-N 2 2 263.345 0.861 20 0 CCADLP [NH3+]CC(F)(F)CC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000575419074 335102624 /nfs/dbraw/zinc/10/26/24/335102624.db2.gz YIRSCNYWMGSZNV-UHFFFAOYSA-N 2 2 298.337 0.710 20 0 CCADLP O=C(NCC1=CC[NH2+]CC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000575921629 335131248 /nfs/dbraw/zinc/13/12/48/335131248.db2.gz FSXNRFHVCYAYRS-UHFFFAOYSA-N 2 2 283.335 0.917 20 0 CCADLP C[C@@H]1Cc2[nH+]cn(C[C@H](O)C[NH+]3CCOCC3)c2C[C@H]1C ZINC000314355927 334786037 /nfs/dbraw/zinc/78/60/37/334786037.db2.gz OVFCDCHGGLEHGK-MGPQQGTHSA-N 2 2 293.411 0.947 20 0 CCADLP Cn1cnc(NCC[NH+]2CCC([NH+](C)C)CC2)cc1=O ZINC000576292719 335185449 /nfs/dbraw/zinc/18/54/49/335185449.db2.gz WVGYKAOAYGIIJC-UHFFFAOYSA-N 2 2 279.388 0.218 20 0 CCADLP C[C@@H](CNC[C@H](O)C[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000576389790 335197448 /nfs/dbraw/zinc/19/74/48/335197448.db2.gz CVDZYWIPYJUARS-HOTGVXAUSA-N 2 2 299.459 0.390 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000580541254 335251797 /nfs/dbraw/zinc/25/17/97/335251797.db2.gz UMKNBAXWIQRMNS-FRRDWIJNSA-N 2 2 289.445 0.388 20 0 CCADLP C[C@H](CC(=O)NC[C@@H](C)N1CC[NH+](C)CC1)n1cc[nH+]c1 ZINC000576879435 335259557 /nfs/dbraw/zinc/25/95/57/335259557.db2.gz IOTZDIZURLFLFV-ZIAGYGMSSA-N 2 2 293.415 0.586 20 0 CCADLP Cn1ncc2c1nc(N)[nH+]c2N[C@H]1CCn2cc[nH+]c2C1 ZINC000577005104 335277886 /nfs/dbraw/zinc/27/78/86/335277886.db2.gz PUOBGJSMUREDAV-QMMMGPOBSA-N 2 2 284.327 0.399 20 0 CCADLP CCOC1(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CCCC1 ZINC000577047517 335289464 /nfs/dbraw/zinc/28/94/64/335289464.db2.gz FBLBYBHXLNRGEE-CYBMUJFWSA-N 2 2 298.431 0.620 20 0 CCADLP CCOC1(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CCCC1 ZINC000577047517 335289465 /nfs/dbraw/zinc/28/94/65/335289465.db2.gz FBLBYBHXLNRGEE-CYBMUJFWSA-N 2 2 298.431 0.620 20 0 CCADLP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000577062468 335293929 /nfs/dbraw/zinc/29/39/29/335293929.db2.gz JOSMCIGLPJHVEL-JSGCOSHPSA-N 2 2 253.390 0.977 20 0 CCADLP CCCNC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000577062468 335293931 /nfs/dbraw/zinc/29/39/31/335293931.db2.gz JOSMCIGLPJHVEL-JSGCOSHPSA-N 2 2 253.390 0.977 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCc1c[nH+]cn1C ZINC000577265253 335331897 /nfs/dbraw/zinc/33/18/97/335331897.db2.gz CROBRLZXOFDWDI-LLVKDONJSA-N 2 2 265.361 0.656 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1c[nH+]cn1C ZINC000577265253 335331898 /nfs/dbraw/zinc/33/18/98/335331898.db2.gz CROBRLZXOFDWDI-LLVKDONJSA-N 2 2 265.361 0.656 20 0 CCADLP C[C@@H]1CCC[C@H](OCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000577491281 335358462 /nfs/dbraw/zinc/35/84/62/335358462.db2.gz MZTPRXMKLZXRLZ-MCIONIFRSA-N 2 2 283.416 0.683 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](COC)[C@H]1CCCO1 ZINC000577506291 335361601 /nfs/dbraw/zinc/36/16/01/335361601.db2.gz ZZBQCBLRQPVQEK-FRRDWIJNSA-N 2 2 260.378 0.083 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](COC)[C@H]1CCCO1 ZINC000577506291 335361603 /nfs/dbraw/zinc/36/16/03/335361603.db2.gz ZZBQCBLRQPVQEK-FRRDWIJNSA-N 2 2 260.378 0.083 20 0 CCADLP CN(CC[N@H+](C)CC(=O)NC1CC1)C1CC[NH+](C)CC1 ZINC000177381887 335371171 /nfs/dbraw/zinc/37/11/71/335371171.db2.gz JSNKULIQQYHUJT-UHFFFAOYSA-N 2 2 282.432 0.223 20 0 CCADLP CN(CC[N@@H+](C)CC(=O)NC1CC1)C1CC[NH+](C)CC1 ZINC000177381887 335371172 /nfs/dbraw/zinc/37/11/72/335371172.db2.gz JSNKULIQQYHUJT-UHFFFAOYSA-N 2 2 282.432 0.223 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)NC1CC1 ZINC000177381887 335371174 /nfs/dbraw/zinc/37/11/74/335371174.db2.gz JSNKULIQQYHUJT-UHFFFAOYSA-N 2 2 282.432 0.223 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)NC1CC1 ZINC000177381887 335371175 /nfs/dbraw/zinc/37/11/75/335371175.db2.gz JSNKULIQQYHUJT-UHFFFAOYSA-N 2 2 282.432 0.223 20 0 CCADLP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1nnnn1CC1CC1 ZINC000577620641 335379696 /nfs/dbraw/zinc/37/96/96/335379696.db2.gz AJHHATKYPKWANP-CMPLNLGQSA-N 2 2 264.377 0.561 20 0 CCADLP Cc1noc(C)c1CCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000577749723 335397039 /nfs/dbraw/zinc/39/70/39/335397039.db2.gz PWRLNQPUJWDNBI-LBPRGKRZSA-N 2 2 280.372 0.325 20 0 CCADLP Cc1noc(C)c1CCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000577749723 335397040 /nfs/dbraw/zinc/39/70/40/335397040.db2.gz PWRLNQPUJWDNBI-LBPRGKRZSA-N 2 2 280.372 0.325 20 0 CCADLP O=C(c1ccc2[nH+]ccn2c1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000579112309 335710625 /nfs/dbraw/zinc/71/06/25/335710625.db2.gz BZNWWLDEHAZPHF-OLZOCXBDSA-N 2 2 286.335 0.537 20 0 CCADLP NC(=O)[C@@]1([NH2+]CCC[NH+]2CCCCC2)CCOC1 ZINC000579369421 335740846 /nfs/dbraw/zinc/74/08/46/335740846.db2.gz BZJVDPSURRPHPO-CYBMUJFWSA-N 2 2 255.362 0.096 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000579511079 335778594 /nfs/dbraw/zinc/77/85/94/335778594.db2.gz HKWLIRVFCOICDO-ZDUSSCGKSA-N 2 2 292.383 0.143 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000581140688 336014683 /nfs/dbraw/zinc/01/46/83/336014683.db2.gz OXYAOOPNDRDVJG-QWHCGFSZSA-N 2 2 294.399 0.673 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000581140688 336014684 /nfs/dbraw/zinc/01/46/84/336014684.db2.gz OXYAOOPNDRDVJG-QWHCGFSZSA-N 2 2 294.399 0.673 20 0 CCADLP C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000381214432 336055397 /nfs/dbraw/zinc/05/53/97/336055397.db2.gz WDGBZFRIYFGRLI-PSASIEDQSA-N 2 2 267.295 0.724 20 0 CCADLP C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000381214432 336055398 /nfs/dbraw/zinc/05/53/98/336055398.db2.gz WDGBZFRIYFGRLI-PSASIEDQSA-N 2 2 267.295 0.724 20 0 CCADLP CC(C)OC[C@@H](O)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000581365984 336061876 /nfs/dbraw/zinc/06/18/76/336061876.db2.gz ZERFKZUZDKDOAX-NEPJUHHUSA-N 2 2 253.346 0.573 20 0 CCADLP CCCCOCC[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000581424575 336075040 /nfs/dbraw/zinc/07/50/40/336075040.db2.gz WWPXSYKOALNEQU-KKUMJFAQSA-N 2 2 288.432 0.863 20 0 CCADLP C[NH2+]CCCC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000581546818 336099726 /nfs/dbraw/zinc/09/97/26/336099726.db2.gz IRFQYZJJIPRHBF-UHFFFAOYSA-N 2 2 277.372 0.433 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)C(C)(C)O ZINC000382972352 336100431 /nfs/dbraw/zinc/10/04/31/336100431.db2.gz RARSCILTNGBUON-NEPJUHHUSA-N 2 2 262.394 0.017 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)C(C)(C)O ZINC000382972352 336100432 /nfs/dbraw/zinc/10/04/32/336100432.db2.gz RARSCILTNGBUON-NEPJUHHUSA-N 2 2 262.394 0.017 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)C(C)(C)O ZINC000382972352 336100434 /nfs/dbraw/zinc/10/04/34/336100434.db2.gz RARSCILTNGBUON-NEPJUHHUSA-N 2 2 262.394 0.017 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)C(C)(C)O ZINC000382972352 336100436 /nfs/dbraw/zinc/10/04/36/336100436.db2.gz RARSCILTNGBUON-NEPJUHHUSA-N 2 2 262.394 0.017 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000581559076 336103287 /nfs/dbraw/zinc/10/32/87/336103287.db2.gz LWXUPPFBUQQDSH-IFQILLTASA-N 2 2 251.374 0.857 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000581559076 336103289 /nfs/dbraw/zinc/10/32/89/336103289.db2.gz LWXUPPFBUQQDSH-IFQILLTASA-N 2 2 251.374 0.857 20 0 CCADLP C[NH2+]C[C@@](C)(O)CN1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000581613216 336112501 /nfs/dbraw/zinc/11/25/01/336112501.db2.gz VTTUNPICBMCFTQ-GDBMZVCRSA-N 2 2 292.427 0.731 20 0 CCADLP C[N@H+](CC(=O)NC(=O)NC(C)(C)C)C1CC([NH3+])C1 ZINC000384784117 336131023 /nfs/dbraw/zinc/13/10/23/336131023.db2.gz UMLLHQJAISLHKD-UHFFFAOYSA-N 2 2 256.350 0.032 20 0 CCADLP C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C1CC([NH3+])C1 ZINC000384784117 336131024 /nfs/dbraw/zinc/13/10/24/336131024.db2.gz UMLLHQJAISLHKD-UHFFFAOYSA-N 2 2 256.350 0.032 20 0 CCADLP COCC[NH+]1CCC([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000581755949 336142422 /nfs/dbraw/zinc/14/24/22/336142422.db2.gz MOWOIILXAMYNHM-ZDUSSCGKSA-N 3 2 278.400 0.967 20 0 CCADLP CCc1nc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cs1 ZINC000581777034 336145560 /nfs/dbraw/zinc/14/55/60/336145560.db2.gz QMJSPLNQRHPIBU-LLVKDONJSA-N 2 2 297.428 0.490 20 0 CCADLP CCc1nc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cs1 ZINC000581777034 336145562 /nfs/dbraw/zinc/14/55/62/336145562.db2.gz QMJSPLNQRHPIBU-LLVKDONJSA-N 2 2 297.428 0.490 20 0 CCADLP CC[C@@H]1C[C@H]1[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000581812059 336146627 /nfs/dbraw/zinc/14/66/27/336146627.db2.gz MABDXDUBGKTOCI-XGFWRYKXSA-N 2 2 256.390 0.845 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000581823412 336147668 /nfs/dbraw/zinc/14/76/68/336147668.db2.gz FIUMTCWJBWSAKJ-CYBMUJFWSA-N 2 2 298.431 0.091 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000581823412 336147669 /nfs/dbraw/zinc/14/76/69/336147669.db2.gz FIUMTCWJBWSAKJ-CYBMUJFWSA-N 2 2 298.431 0.091 20 0 CCADLP CCOC(=O)CC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000385482595 336148651 /nfs/dbraw/zinc/14/86/51/336148651.db2.gz ZXJFVGHSKNMZSJ-RYUDHWBXSA-N 2 2 258.362 0.374 20 0 CCADLP CCOC(=O)CC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000385482595 336148652 /nfs/dbraw/zinc/14/86/52/336148652.db2.gz ZXJFVGHSKNMZSJ-RYUDHWBXSA-N 2 2 258.362 0.374 20 0 CCADLP CC(C)CN1C[C@H]2C[N@H+](CCC[NH3+])CCN2C1=O ZINC000414767818 545093304 /nfs/dbraw/zinc/09/33/04/545093304.db2.gz UAJXZEIZSKLHPD-GFCCVEGCSA-N 2 2 254.378 0.413 20 0 CCADLP CC(C)CN1C[C@H]2C[N@@H+](CCC[NH3+])CCN2C1=O ZINC000414767818 545093305 /nfs/dbraw/zinc/09/33/05/545093305.db2.gz UAJXZEIZSKLHPD-GFCCVEGCSA-N 2 2 254.378 0.413 20 0 CCADLP C[C@H](NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[C@H](C)[NH+]1CCOCC1 ZINC000417513925 545094154 /nfs/dbraw/zinc/09/41/54/545094154.db2.gz ALLXYYHXOSHGOE-XDQVBPFNSA-N 2 2 298.431 0.665 20 0 CCADLP C[C@H](CCC[NH3+])NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000423679353 533866667 /nfs/dbraw/zinc/86/66/67/533866667.db2.gz KCQDVIAMVFAIFI-TZMCWYRMSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@H](CCC[NH3+])NC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000423679353 533866675 /nfs/dbraw/zinc/86/66/75/533866675.db2.gz KCQDVIAMVFAIFI-TZMCWYRMSA-N 2 2 283.416 0.731 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)N(C)CC[NH+]1CCOCC1 ZINC000262703190 535521052 /nfs/dbraw/zinc/52/10/52/535521052.db2.gz KGKNPMYXNBYPBK-CYBMUJFWSA-N 2 2 257.378 0.295 20 0 CCADLP C[C@@H](CNC(=O)NCC(C)(C)[NH+]1CCOCC1)[NH+](C)C ZINC000454149578 533944465 /nfs/dbraw/zinc/94/44/65/533944465.db2.gz LNVPTDUHFRUVAW-LBPRGKRZSA-N 2 2 286.420 0.347 20 0 CCADLP Cc1ccc(CNC(=O)[C@H](C)[N@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000420354573 534039715 /nfs/dbraw/zinc/03/97/15/534039715.db2.gz OTSVNHOIHZCGMB-GXTWGEPZSA-N 2 2 279.384 0.251 20 0 CCADLP Cc1ccc(CNC(=O)[C@H](C)[N@@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000420354573 534039726 /nfs/dbraw/zinc/03/97/26/534039726.db2.gz OTSVNHOIHZCGMB-GXTWGEPZSA-N 2 2 279.384 0.251 20 0 CCADLP C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H](C)[N@H+]1CCO ZINC000493696772 534274613 /nfs/dbraw/zinc/27/46/13/534274613.db2.gz YGLXMHXZAPVYIX-ROUHBEFFSA-N 2 2 278.356 0.336 20 0 CCADLP C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H](C)[N@@H+]1CCO ZINC000493696772 534274618 /nfs/dbraw/zinc/27/46/18/534274618.db2.gz YGLXMHXZAPVYIX-ROUHBEFFSA-N 2 2 278.356 0.336 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000414748895 517426411 /nfs/dbraw/zinc/42/64/11/517426411.db2.gz VHAYCKSQAZSAPO-IUODEOHRSA-N 2 2 296.415 0.670 20 0 CCADLP OCCC[N@@H+]1CCC[C@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000449397125 534359903 /nfs/dbraw/zinc/35/99/03/534359903.db2.gz OHWAJNDQSDJPAI-KBPBESRZSA-N 2 2 256.390 0.849 20 0 CCADLP OCCC[N@H+]1CCC[C@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000449397125 534359912 /nfs/dbraw/zinc/35/99/12/534359912.db2.gz OHWAJNDQSDJPAI-KBPBESRZSA-N 2 2 256.390 0.849 20 0 CCADLP CC(C)[C@@H]1C(=O)NCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000161597241 519801702 /nfs/dbraw/zinc/80/17/02/519801702.db2.gz VQRUIFVRPWTREL-QWHCGFSZSA-N 2 2 253.390 0.927 20 0 CCADLP CC(C)[C@@H]1C(=O)NCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000161597241 519801703 /nfs/dbraw/zinc/80/17/03/519801703.db2.gz VQRUIFVRPWTREL-QWHCGFSZSA-N 2 2 253.390 0.927 20 0 CCADLP CC(C)[C@@H]1C(=O)NCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000161597241 519801704 /nfs/dbraw/zinc/80/17/04/519801704.db2.gz VQRUIFVRPWTREL-QWHCGFSZSA-N 2 2 253.390 0.927 20 0 CCADLP CC(C)[C@@H]1C(=O)NCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000161597241 519801705 /nfs/dbraw/zinc/80/17/05/519801705.db2.gz VQRUIFVRPWTREL-QWHCGFSZSA-N 2 2 253.390 0.927 20 0 CCADLP CC(C)[C@H](C(=O)NCC[NH+]1CCOCC1)[NH+](C)C ZINC000155931603 519809368 /nfs/dbraw/zinc/80/93/68/519809368.db2.gz FJVOQWBMDJYRMD-GFCCVEGCSA-N 2 2 257.378 0.021 20 0 CCADLP CC[N@H+](C)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000156407517 520232206 /nfs/dbraw/zinc/23/22/06/520232206.db2.gz FWKXYIXKXKPWSR-LLVKDONJSA-N 2 2 250.346 0.513 20 0 CCADLP CC[N@@H+](C)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000156407517 520232214 /nfs/dbraw/zinc/23/22/14/520232214.db2.gz FWKXYIXKXKPWSR-LLVKDONJSA-N 2 2 250.346 0.513 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000364994092 520916673 /nfs/dbraw/zinc/91/66/73/520916673.db2.gz KMCCXLSYCYREIA-GXTWGEPZSA-N 2 2 269.389 0.437 20 0 CCADLP [NH3+]CC(F)(F)CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000417894859 534579433 /nfs/dbraw/zinc/57/94/33/534579433.db2.gz UISLVVHADGTHMX-UHFFFAOYSA-N 2 2 283.282 0.728 20 0 CCADLP CN1C(=O)C[C@H]([N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1=O ZINC000370649609 523709984 /nfs/dbraw/zinc/70/99/84/523709984.db2.gz ZLIRWXRWMBZFIA-NEPJUHHUSA-N 2 2 275.308 0.292 20 0 CCADLP CN1C(=O)C[C@H]([N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1=O ZINC000370649609 523709993 /nfs/dbraw/zinc/70/99/93/523709993.db2.gz ZLIRWXRWMBZFIA-NEPJUHHUSA-N 2 2 275.308 0.292 20 0 CCADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2ncnn2C)CC1 ZINC000353339753 523815798 /nfs/dbraw/zinc/81/57/98/523815798.db2.gz ABMCIZWTMOXLCH-NSHDSACASA-N 2 2 267.377 0.577 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000353438926 523846367 /nfs/dbraw/zinc/84/63/67/523846367.db2.gz CMUQKBWBDPFPIT-OAHLLOKOSA-N 2 2 295.427 0.651 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000156791219 523937848 /nfs/dbraw/zinc/93/78/48/523937848.db2.gz WGVHLRKOSXMNFK-AWEZNQCLSA-N 2 2 275.352 0.350 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000156791219 523937851 /nfs/dbraw/zinc/93/78/51/523937851.db2.gz WGVHLRKOSXMNFK-AWEZNQCLSA-N 2 2 275.352 0.350 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@@H](C)[NH2+]C3CC3)CC2)cc[nH+]1 ZINC000423781539 534755370 /nfs/dbraw/zinc/75/53/70/534755370.db2.gz KXGAZOLHJAFBHZ-LLVKDONJSA-N 2 2 289.383 0.574 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)C[NH+](C)C ZINC000341270391 524451921 /nfs/dbraw/zinc/45/19/21/524451921.db2.gz WQFHGOQAJCBMLR-NEPJUHHUSA-N 2 2 264.373 0.759 20 0 CCADLP O=C(/C=C/c1[nH]cc[nH+]1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000493585607 534786098 /nfs/dbraw/zinc/78/60/98/534786098.db2.gz NQHIRAHTYYAHFB-AORQRIRUSA-N 2 2 290.367 0.604 20 0 CCADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000154901786 524620887 /nfs/dbraw/zinc/62/08/87/524620887.db2.gz XFDOIOXTCPBCQH-ZNMIVQPWSA-N 3 2 268.449 0.695 20 0 CCADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000154901786 524620902 /nfs/dbraw/zinc/62/09/02/524620902.db2.gz XFDOIOXTCPBCQH-ZNMIVQPWSA-N 3 2 268.449 0.695 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000156669805 524628245 /nfs/dbraw/zinc/62/82/45/524628245.db2.gz AENCTQPWKDFSIL-LBPRGKRZSA-N 2 2 289.379 0.740 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000340937923 524903975 /nfs/dbraw/zinc/90/39/75/524903975.db2.gz JTOVKWPXLIQOEL-NEPJUHHUSA-N 2 2 250.346 0.587 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000340937923 524903985 /nfs/dbraw/zinc/90/39/85/524903985.db2.gz JTOVKWPXLIQOEL-NEPJUHHUSA-N 2 2 250.346 0.587 20 0 CCADLP C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CCn1cc[nH+]c1 ZINC000370614067 525250201 /nfs/dbraw/zinc/25/02/01/525250201.db2.gz JYARBJYPHCFCBZ-ZIAGYGMSSA-N 2 2 264.373 0.678 20 0 CCADLP C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1CCn1cc[nH+]c1 ZINC000370614067 525250209 /nfs/dbraw/zinc/25/02/09/525250209.db2.gz JYARBJYPHCFCBZ-ZIAGYGMSSA-N 2 2 264.373 0.678 20 0 CCADLP Cc1cccn2c(C[NH2+][C@@]3(CO)CCOC3)c[nH+]c12 ZINC000184197028 525467066 /nfs/dbraw/zinc/46/70/66/525467066.db2.gz HBIXLZGFRUZSSB-CQSZACIVSA-N 2 2 261.325 0.884 20 0 CCADLP CC(C)(CO)[NH+]1CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000665701391 545103995 /nfs/dbraw/zinc/10/39/95/545103995.db2.gz RILMSWDWMMQQCI-UHFFFAOYSA-N 2 2 291.399 0.944 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cc(O)cc(F)c2)C1 ZINC000349616730 536481886 /nfs/dbraw/zinc/48/18/86/536481886.db2.gz WPYLVNXRGSODKN-ZDUSSCGKSA-N 2 2 254.305 0.688 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cc(O)cc(F)c2)C1 ZINC000349616730 536481887 /nfs/dbraw/zinc/48/18/87/536481887.db2.gz WPYLVNXRGSODKN-ZDUSSCGKSA-N 2 2 254.305 0.688 20 0 CCADLP C[C@@H](NC(=O)N1CC[N@H+](CCO)C[C@@H]1C)c1[nH+]ccn1C ZINC000667247308 545141777 /nfs/dbraw/zinc/14/17/77/545141777.db2.gz BQDABKSPGIBLLZ-NWDGAFQWSA-N 2 2 295.387 0.189 20 0 CCADLP C[C@@H](NC(=O)N1CC[N@@H+](CCO)C[C@@H]1C)c1[nH+]ccn1C ZINC000667247308 545141778 /nfs/dbraw/zinc/14/17/78/545141778.db2.gz BQDABKSPGIBLLZ-NWDGAFQWSA-N 2 2 295.387 0.189 20 0 CCADLP [NH3+]C[C@H](C(=O)NCCc1[nH]cc[nH+]1)c1ccccc1 ZINC000157255559 527224277 /nfs/dbraw/zinc/22/42/77/527224277.db2.gz LCPCXFJBCKEACS-LBPRGKRZSA-N 2 2 258.325 0.811 20 0 CCADLP CC(C)([NH3+])CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000417894873 527250797 /nfs/dbraw/zinc/25/07/97/527250797.db2.gz UJECNBDXLKCZHU-UHFFFAOYSA-N 2 2 261.329 0.871 20 0 CCADLP C[NH+]1CCC(N(CCO)Cc2c[nH+]c3n2CCC3)CC1 ZINC000667464512 545147932 /nfs/dbraw/zinc/14/79/32/545147932.db2.gz TVEAYICUMZVOCX-UHFFFAOYSA-N 2 2 278.400 0.718 20 0 CCADLP C[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C(C)(F)F ZINC000667654403 545152888 /nfs/dbraw/zinc/15/28/88/545152888.db2.gz XGSFRPITQSLJNI-RKDXNWHRSA-N 2 2 264.320 0.314 20 0 CCADLP C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C(C)(F)F ZINC000667654403 545152889 /nfs/dbraw/zinc/15/28/89/545152889.db2.gz XGSFRPITQSLJNI-RKDXNWHRSA-N 2 2 264.320 0.314 20 0 CCADLP NC(=O)C[C@@H]1CCC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667682377 545153804 /nfs/dbraw/zinc/15/38/04/545153804.db2.gz IWXJRUXGANMOHJ-NSHDSACASA-N 2 2 262.357 0.917 20 0 CCADLP NC(=O)C[C@@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667682377 545153805 /nfs/dbraw/zinc/15/38/05/545153805.db2.gz IWXJRUXGANMOHJ-NSHDSACASA-N 2 2 262.357 0.917 20 0 CCADLP Cc1[nH+]ccn1CCSc1nc(N)cc(N)[nH+]1 ZINC000049330730 527435548 /nfs/dbraw/zinc/43/55/48/527435548.db2.gz DAOQAUWROOCMJC-UHFFFAOYSA-N 2 2 250.331 0.938 20 0 CCADLP COCCO[C@H]1CC[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000668030645 545161810 /nfs/dbraw/zinc/16/18/10/545161810.db2.gz XXFHYHLPZWZBIW-ZDUSSCGKSA-N 2 2 253.346 0.966 20 0 CCADLP COCCO[C@H]1CC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000668030645 545161811 /nfs/dbraw/zinc/16/18/11/545161811.db2.gz XXFHYHLPZWZBIW-ZDUSSCGKSA-N 2 2 253.346 0.966 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCc2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000668551120 545181328 /nfs/dbraw/zinc/18/13/28/545181328.db2.gz LFTQZYMLDYPMHA-AWEZNQCLSA-N 2 2 294.374 0.653 20 0 CCADLP C[C@H](O)C1([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000668699373 545188217 /nfs/dbraw/zinc/18/82/17/545188217.db2.gz BRCQHHVSPBTAIZ-WCQYABFASA-N 2 2 254.374 0.743 20 0 CCADLP CN(C(=O)[C@@H](O)C1CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668618694 545184095 /nfs/dbraw/zinc/18/40/95/545184095.db2.gz SWYHZLKTGDTULJ-GJZGRUSLSA-N 2 2 295.427 0.384 20 0 CCADLP CN(C(=O)[C@@H](O)C1CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668618694 545184096 /nfs/dbraw/zinc/18/40/96/545184096.db2.gz SWYHZLKTGDTULJ-GJZGRUSLSA-N 2 2 295.427 0.384 20 0 CCADLP CCO[C@H]1COCC[C@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425348539 528067314 /nfs/dbraw/zinc/06/73/14/528067314.db2.gz YYNXJHLNNNXRRC-OLZOCXBDSA-N 2 2 282.388 0.770 20 0 CCADLP Cc1ccn2cc(CNC(=O)NC/C=C/C[NH3+])[nH+]c2c1 ZINC000669402281 545206697 /nfs/dbraw/zinc/20/66/97/545206697.db2.gz GKRHNYIJMATSBG-NSCUHMNNSA-N 2 2 273.340 0.957 20 0 CCADLP CC[NH+](CC)CCOCCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492810641 528141217 /nfs/dbraw/zinc/14/12/17/528141217.db2.gz ISUDTECJFKYTNQ-WAYWQWQTSA-N 2 2 280.372 0.898 20 0 CCADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ncnn2C)C1 ZINC000426439226 528147196 /nfs/dbraw/zinc/14/71/96/528147196.db2.gz WOGGAXUCFZABAN-CYBMUJFWSA-N 2 2 281.404 0.748 20 0 CCADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ncnn2C)C1 ZINC000426439226 528147204 /nfs/dbraw/zinc/14/72/04/528147204.db2.gz WOGGAXUCFZABAN-CYBMUJFWSA-N 2 2 281.404 0.748 20 0 CCADLP C[C@H](NC(=O)N1CC[NH2+]C(C)(C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000669538375 545213556 /nfs/dbraw/zinc/21/35/56/545213556.db2.gz NZGUCVJQFQJKSE-RYUDHWBXSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@H](NC(=O)N1CC[NH2+]C(C)(C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000669538375 545213557 /nfs/dbraw/zinc/21/35/57/545213557.db2.gz NZGUCVJQFQJKSE-RYUDHWBXSA-N 2 2 284.404 0.099 20 0 CCADLP O=C(NC[C@H]1CCCC[NH2+]1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000669588676 545215683 /nfs/dbraw/zinc/21/56/83/545215683.db2.gz INMQCAPEVPIFJW-GHMZBOCLSA-N 2 2 277.372 0.708 20 0 CCADLP O=C(NC[C@H]1CCCC[NH2+]1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000669588676 545215684 /nfs/dbraw/zinc/21/56/84/545215684.db2.gz INMQCAPEVPIFJW-GHMZBOCLSA-N 2 2 277.372 0.708 20 0 CCADLP C[C@@H](CO)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000669699591 545219777 /nfs/dbraw/zinc/21/97/77/545219777.db2.gz MVWGCXDMFFNRCT-KGLIPLIRSA-N 2 2 256.390 0.659 20 0 CCADLP C[C@@H](CO)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000669699591 545219778 /nfs/dbraw/zinc/21/97/78/545219778.db2.gz MVWGCXDMFFNRCT-KGLIPLIRSA-N 2 2 256.390 0.659 20 0 CCADLP CC[N@@H+]1CCN(CCC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000669932140 545223948 /nfs/dbraw/zinc/22/39/48/545223948.db2.gz BDVOURHXDHFBTE-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP CC[N@H+]1CCN(CCC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000669932140 545223949 /nfs/dbraw/zinc/22/39/49/545223949.db2.gz BDVOURHXDHFBTE-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP CCN1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000669932140 545223950 /nfs/dbraw/zinc/22/39/50/545223950.db2.gz BDVOURHXDHFBTE-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP CCN1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000669932140 545223951 /nfs/dbraw/zinc/22/39/51/545223951.db2.gz BDVOURHXDHFBTE-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP CN(C)c1c[nH+]ccc1NC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000670082397 545228316 /nfs/dbraw/zinc/22/83/16/545228316.db2.gz NDBQHDLOPOZDTD-NSHDSACASA-N 2 2 277.372 0.785 20 0 CCADLP CN(C)c1c[nH+]ccc1NC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000670082397 545228317 /nfs/dbraw/zinc/22/83/17/545228317.db2.gz NDBQHDLOPOZDTD-NSHDSACASA-N 2 2 277.372 0.785 20 0 CCADLP c1n[nH]cc1C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000670271211 545231560 /nfs/dbraw/zinc/23/15/60/545231560.db2.gz XVILKUWAMHMWKM-CYBMUJFWSA-N 2 2 264.373 0.954 20 0 CCADLP c1n[nH]cc1C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000670271211 545231561 /nfs/dbraw/zinc/23/15/61/545231561.db2.gz XVILKUWAMHMWKM-CYBMUJFWSA-N 2 2 264.373 0.954 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@H]([NH3+])CC ZINC000423677300 528476827 /nfs/dbraw/zinc/47/68/27/528476827.db2.gz JUXDCIPOYIQMIC-VXGBXAGGSA-N 2 2 257.378 0.341 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@H]([NH3+])CC ZINC000423677300 528476831 /nfs/dbraw/zinc/47/68/31/528476831.db2.gz JUXDCIPOYIQMIC-VXGBXAGGSA-N 2 2 257.378 0.341 20 0 CCADLP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1ccc2[nH+]ccn2c1 ZINC000670409902 545233676 /nfs/dbraw/zinc/23/36/76/545233676.db2.gz WZTSYVOLHHJMCW-AWEZNQCLSA-N 2 2 299.378 0.454 20 0 CCADLP O=C(NC[C@H]1C[N@H+]2CCN1CCC2)c1ccc2[nH+]ccn2c1 ZINC000670409902 545233677 /nfs/dbraw/zinc/23/36/77/545233677.db2.gz WZTSYVOLHHJMCW-AWEZNQCLSA-N 2 2 299.378 0.454 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000418203101 528512333 /nfs/dbraw/zinc/51/23/33/528512333.db2.gz DBKAQKHECWRWDG-TZMCWYRMSA-N 2 2 298.431 0.522 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000418203101 528512337 /nfs/dbraw/zinc/51/23/37/528512337.db2.gz DBKAQKHECWRWDG-TZMCWYRMSA-N 2 2 298.431 0.522 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000449062802 528552738 /nfs/dbraw/zinc/55/27/38/528552738.db2.gz MXCLSQOTOZRDAW-GFCCVEGCSA-N 2 2 271.405 0.602 20 0 CCADLP O=C1NCC[C@H]1[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670985385 545240923 /nfs/dbraw/zinc/24/09/23/545240923.db2.gz BJAZYWVCFXEPDY-CHWSQXEVSA-N 2 2 267.373 0.062 20 0 CCADLP O=C1NCC[C@H]1[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670985385 545240924 /nfs/dbraw/zinc/24/09/24/545240924.db2.gz BJAZYWVCFXEPDY-CHWSQXEVSA-N 2 2 267.373 0.062 20 0 CCADLP CCOCCCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424340546 528683796 /nfs/dbraw/zinc/68/37/96/528683796.db2.gz YBIWBLOGEIVGIJ-JHJVBQTASA-N 2 2 271.405 0.777 20 0 CCADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428031265 528802791 /nfs/dbraw/zinc/80/27/91/528802791.db2.gz GSWQBDGJADHXIS-JHJVBQTASA-N 2 2 253.390 0.926 20 0 CCADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428031265 528802793 /nfs/dbraw/zinc/80/27/93/528802793.db2.gz GSWQBDGJADHXIS-JHJVBQTASA-N 2 2 253.390 0.926 20 0 CCADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428031263 528803198 /nfs/dbraw/zinc/80/31/98/528803198.db2.gz GSWQBDGJADHXIS-AGIUHOORSA-N 2 2 253.390 0.926 20 0 CCADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428031263 528803202 /nfs/dbraw/zinc/80/32/02/528803202.db2.gz GSWQBDGJADHXIS-AGIUHOORSA-N 2 2 253.390 0.926 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]Cc2nnc3n2CCOC3)[C@@H]2CCC[C@@H]21 ZINC000671762273 545259538 /nfs/dbraw/zinc/25/95/38/545259538.db2.gz RQIVUZTZQMPUQE-AVGNSLFASA-N 2 2 291.399 0.771 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]Cc2nnc3n2CCOC3)[C@@H]2CCC[C@@H]21 ZINC000671762273 545259539 /nfs/dbraw/zinc/25/95/39/545259539.db2.gz RQIVUZTZQMPUQE-AVGNSLFASA-N 2 2 291.399 0.771 20 0 CCADLP CCC(CC)[C@H](C(=O)N[C@@H](C)[C@H](C)[NH3+])[NH+]1CCOCC1 ZINC000449605645 528843286 /nfs/dbraw/zinc/84/32/86/528843286.db2.gz WTAVPJAZHGHVQC-SGMGOOAPSA-N 2 2 285.432 0.975 20 0 CCADLP CC(C)[C@H](C(=O)N[C@H]1CCc2c[nH+]cn2C1)[NH+](C)C ZINC000672155124 545263905 /nfs/dbraw/zinc/26/39/05/545263905.db2.gz RIXYXKSDJKVTEJ-WCQYABFASA-N 2 2 264.373 0.900 20 0 CCADLP C[C@@H](C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)[NH+](C)C ZINC000672209629 545264890 /nfs/dbraw/zinc/26/48/90/545264890.db2.gz TVENLPSZXBQVHJ-RWMBFGLXSA-N 2 2 269.389 0.258 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)[C@H](C)[NH3+] ZINC000423763918 528921362 /nfs/dbraw/zinc/92/13/62/528921362.db2.gz UWWKVMCPOACYEX-UBHSHLNASA-N 2 2 283.416 0.585 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)[C@H](C)[NH3+] ZINC000423763918 528921368 /nfs/dbraw/zinc/92/13/68/528921368.db2.gz UWWKVMCPOACYEX-UBHSHLNASA-N 2 2 283.416 0.585 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@H]1CC[NH2+]CC1(F)F)[C@H](C)[NH3+] ZINC000423690883 528921690 /nfs/dbraw/zinc/92/16/90/528921690.db2.gz DVDUWTRAKCWQRU-AXFHLTTASA-N 2 2 277.359 0.967 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCO[C@H](C)[C@H]2C)CC1 ZINC000361678094 528977276 /nfs/dbraw/zinc/97/72/76/528977276.db2.gz LRYNQPSIFQFLOK-CHWSQXEVSA-N 2 2 283.416 0.696 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCO[C@H](C)[C@H]2C)CC1 ZINC000361678094 528977281 /nfs/dbraw/zinc/97/72/81/528977281.db2.gz LRYNQPSIFQFLOK-CHWSQXEVSA-N 2 2 283.416 0.696 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492893551 529131327 /nfs/dbraw/zinc/13/13/27/529131327.db2.gz GGCGYECUQMBABB-ARJAWSKDSA-N 2 2 278.356 0.650 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492893551 529131330 /nfs/dbraw/zinc/13/13/30/529131330.db2.gz GGCGYECUQMBABB-ARJAWSKDSA-N 2 2 278.356 0.650 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424455766 529132094 /nfs/dbraw/zinc/13/20/94/529132094.db2.gz UEHWOHZSMMCAPG-CHWSQXEVSA-N 2 2 298.431 0.666 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424455766 529132096 /nfs/dbraw/zinc/13/20/96/529132096.db2.gz UEHWOHZSMMCAPG-CHWSQXEVSA-N 2 2 298.431 0.666 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000428045325 529132398 /nfs/dbraw/zinc/13/23/98/529132398.db2.gz QEWVBGHPUMUNHT-KKUMJFAQSA-N 3 2 294.443 0.223 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000428045325 529132400 /nfs/dbraw/zinc/13/24/00/529132400.db2.gz QEWVBGHPUMUNHT-KKUMJFAQSA-N 3 2 294.443 0.223 20 0 CCADLP CC[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000418152080 529278758 /nfs/dbraw/zinc/27/87/58/529278758.db2.gz HGSZPZJIRUVFCJ-MELADBBJSA-N 2 2 281.400 0.308 20 0 CCADLP C([C@H]1CC[N@@H+]([C@@H]2CCCOC2)C1)[NH+]1CCOCC1 ZINC000674302232 545303867 /nfs/dbraw/zinc/30/38/67/545303867.db2.gz KOARYENHHOSWFQ-ZIAGYGMSSA-N 2 2 254.374 0.820 20 0 CCADLP C([C@H]1CC[N@H+]([C@@H]2CCCOC2)C1)[NH+]1CCOCC1 ZINC000674302232 545303868 /nfs/dbraw/zinc/30/38/68/545303868.db2.gz KOARYENHHOSWFQ-ZIAGYGMSSA-N 2 2 254.374 0.820 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)N[C@H]2CCC[N@H+](C)C2)n1C ZINC000674394435 545305805 /nfs/dbraw/zinc/30/58/05/545305805.db2.gz BPJUCNOYAASLTF-NSHDSACASA-N 2 2 294.403 0.380 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)N[C@H]2CCC[N@@H+](C)C2)n1C ZINC000674394435 545305806 /nfs/dbraw/zinc/30/58/06/545305806.db2.gz BPJUCNOYAASLTF-NSHDSACASA-N 2 2 294.403 0.380 20 0 CCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)NCC[NH+]1CCOCC1 ZINC000675153663 545322876 /nfs/dbraw/zinc/32/28/76/545322876.db2.gz UGZLMUCKMZHNSR-CQSZACIVSA-N 2 2 298.431 0.492 20 0 CCADLP CC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000675782475 545331335 /nfs/dbraw/zinc/33/13/35/545331335.db2.gz UMSIUOVKLHQJBQ-CHWSQXEVSA-N 2 2 269.389 0.165 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCCOC2)CC1 ZINC000675996315 545333517 /nfs/dbraw/zinc/33/35/17/545333517.db2.gz XXPSCVWBKYRIGY-ZIAGYGMSSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCCOC2)CC1 ZINC000675996315 545333518 /nfs/dbraw/zinc/33/35/18/545333518.db2.gz XXPSCVWBKYRIGY-ZIAGYGMSSA-N 2 2 281.400 0.404 20 0 CCADLP CCO[C@@H]1C[C@H]([NH2+]CC[N@H+](CC)CCO)[C@H]1SC ZINC000459541417 535498427 /nfs/dbraw/zinc/49/84/27/535498427.db2.gz WIELMOAPYGLZPE-YNEHKIRRSA-N 2 2 276.446 0.799 20 0 CCADLP CCO[C@@H]1C[C@H]([NH2+]CC[N@@H+](CC)CCO)[C@H]1SC ZINC000459541417 535498430 /nfs/dbraw/zinc/49/84/30/535498430.db2.gz WIELMOAPYGLZPE-YNEHKIRRSA-N 2 2 276.446 0.799 20 0 CCADLP CCO[C@@H]1C[C@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000360893273 535528936 /nfs/dbraw/zinc/52/89/36/535528936.db2.gz BRBXPLOKRSNLQL-ZIAGYGMSSA-N 2 2 283.416 0.554 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676390620 545343059 /nfs/dbraw/zinc/34/30/59/545343059.db2.gz ZZSKVQYCJAFIMS-GJZGRUSLSA-N 2 2 295.427 0.794 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676390620 545343060 /nfs/dbraw/zinc/34/30/60/545343060.db2.gz ZZSKVQYCJAFIMS-GJZGRUSLSA-N 2 2 295.427 0.794 20 0 CCADLP CCN(C)C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000369601500 535719566 /nfs/dbraw/zinc/71/95/66/535719566.db2.gz KHDMILWPALSOQY-ZDUSSCGKSA-N 2 2 253.390 0.882 20 0 CCADLP CCN(C)C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000369601500 535719572 /nfs/dbraw/zinc/71/95/72/535719572.db2.gz KHDMILWPALSOQY-ZDUSSCGKSA-N 2 2 253.390 0.882 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC000677185489 545360310 /nfs/dbraw/zinc/36/03/10/545360310.db2.gz ZPGDOWDLUDHUNH-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC000677185489 545360311 /nfs/dbraw/zinc/36/03/11/545360311.db2.gz ZPGDOWDLUDHUNH-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](CC)[C@H](C)C2)C1 ZINC000677185489 545360312 /nfs/dbraw/zinc/36/03/12/545360312.db2.gz ZPGDOWDLUDHUNH-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](CC)[C@H](C)C2)C1 ZINC000677185489 545360313 /nfs/dbraw/zinc/36/03/13/545360313.db2.gz ZPGDOWDLUDHUNH-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC000677185492 545360404 /nfs/dbraw/zinc/36/04/04/545360404.db2.gz ZPGDOWDLUDHUNH-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC000677185492 545360405 /nfs/dbraw/zinc/36/04/05/545360405.db2.gz ZPGDOWDLUDHUNH-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@H+](CC)[C@H](C)C2)C1 ZINC000677185492 545360406 /nfs/dbraw/zinc/36/04/06/545360406.db2.gz ZPGDOWDLUDHUNH-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](CC)[C@H](C)C2)C1 ZINC000677185492 545360407 /nfs/dbraw/zinc/36/04/07/545360407.db2.gz ZPGDOWDLUDHUNH-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000262699868 535846752 /nfs/dbraw/zinc/84/67/52/535846752.db2.gz HFCWCEPKJVIMRY-WCFLWFBJSA-N 2 2 269.389 0.339 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000262699868 535846757 /nfs/dbraw/zinc/84/67/57/535846757.db2.gz HFCWCEPKJVIMRY-WCFLWFBJSA-N 2 2 269.389 0.339 20 0 CCADLP C[NH+](C)CCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000370428503 535887674 /nfs/dbraw/zinc/88/76/74/535887674.db2.gz PPRRCSDXTNVXMP-ZDUSSCGKSA-N 2 2 269.389 0.165 20 0 CCADLP C[NH+](C)CCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000370428503 535887681 /nfs/dbraw/zinc/88/76/81/535887681.db2.gz PPRRCSDXTNVXMP-ZDUSSCGKSA-N 2 2 269.389 0.165 20 0 CCADLP CN(C(=O)C1([NH+]2CCOCC2)CCC1)C1CC[NH+](C)CC1 ZINC000372971567 535960801 /nfs/dbraw/zinc/96/08/01/535960801.db2.gz CQOWCOAEGJXOEP-UHFFFAOYSA-N 2 2 295.427 0.794 20 0 CCADLP Cc1[nH+]ccn1CCN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000677981409 545379642 /nfs/dbraw/zinc/37/96/42/545379642.db2.gz CCRBQRYNRFRKDG-OAHLLOKOSA-N 2 2 278.400 0.988 20 0 CCADLP O=C(Nc1ccc2[nH+]ccn2c1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000677887949 545375728 /nfs/dbraw/zinc/37/57/28/545375728.db2.gz FWPKMPGXONUTKJ-CYBMUJFWSA-N 2 2 285.351 0.663 20 0 CCADLP O=C(Nc1ccc2[nH+]ccn2c1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000677887949 545375729 /nfs/dbraw/zinc/37/57/29/545375729.db2.gz FWPKMPGXONUTKJ-CYBMUJFWSA-N 2 2 285.351 0.663 20 0 CCADLP CC[N@@H+]1CCN(C(=O)C[NH+](C)[C@@H]2CCSC2)C[C@@H]1C ZINC000677931625 545377639 /nfs/dbraw/zinc/37/76/39/545377639.db2.gz UVWXXALVFRXMQP-QWHCGFSZSA-N 2 2 285.457 0.976 20 0 CCADLP CC[N@H+]1CCN(C(=O)C[NH+](C)[C@@H]2CCSC2)C[C@@H]1C ZINC000677931625 545377640 /nfs/dbraw/zinc/37/76/40/545377640.db2.gz UVWXXALVFRXMQP-QWHCGFSZSA-N 2 2 285.457 0.976 20 0 CCADLP CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)C[C@@H]1C ZINC000677931625 545377641 /nfs/dbraw/zinc/37/76/41/545377641.db2.gz UVWXXALVFRXMQP-QWHCGFSZSA-N 2 2 285.457 0.976 20 0 CCADLP CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)C[C@@H]1C ZINC000677931625 545377642 /nfs/dbraw/zinc/37/76/42/545377642.db2.gz UVWXXALVFRXMQP-QWHCGFSZSA-N 2 2 285.457 0.976 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CC(=O)N2CCC2)CC1 ZINC000346024866 536358359 /nfs/dbraw/zinc/35/83/59/536358359.db2.gz JIKBKBZXJVYOBU-HNNXBMFYSA-N 2 2 294.443 0.321 20 0 CCADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CC(=O)N2CCC2)CC1 ZINC000346024866 536358361 /nfs/dbraw/zinc/35/83/61/536358361.db2.gz JIKBKBZXJVYOBU-HNNXBMFYSA-N 2 2 294.443 0.321 20 0 CCADLP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1ccon1 ZINC000679319231 545406707 /nfs/dbraw/zinc/40/67/07/545406707.db2.gz VOWVRDISGJBSSA-UHFFFAOYSA-N 2 2 295.387 0.182 20 0 CCADLP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1ccon1 ZINC000679319231 545406708 /nfs/dbraw/zinc/40/67/08/545406708.db2.gz VOWVRDISGJBSSA-UHFFFAOYSA-N 2 2 295.387 0.182 20 0 CCADLP COC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)C1CCOCC1 ZINC000682138209 545473385 /nfs/dbraw/zinc/47/33/85/545473385.db2.gz JLJVJYSDPCJFGP-XBFCOCLRSA-N 2 2 256.390 0.968 20 0 CCADLP COC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)C1CCOCC1 ZINC000682138209 545473386 /nfs/dbraw/zinc/47/33/86/545473386.db2.gz JLJVJYSDPCJFGP-XBFCOCLRSA-N 2 2 256.390 0.968 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NCC[N@@H+]1CCCOCC1 ZINC000682171873 545474672 /nfs/dbraw/zinc/47/46/72/545474672.db2.gz VWAVQFKFFFHDEF-UHFFFAOYSA-N 2 2 280.372 0.502 20 0 CCADLP CN(CCC[NH+](C)C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682526427 545482436 /nfs/dbraw/zinc/48/24/36/545482436.db2.gz VRZGNHICBWFIDC-LBPRGKRZSA-N 2 2 264.373 0.856 20 0 CCADLP C[N@@H+]1CCC[C@H](NC(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000683386063 545516720 /nfs/dbraw/zinc/51/67/20/545516720.db2.gz IZDYHCJCWNLENY-ZDUSSCGKSA-N 2 2 296.415 0.245 20 0 CCADLP C[N@H+]1CCC[C@H](NC(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000683386063 545516721 /nfs/dbraw/zinc/51/67/21/545516721.db2.gz IZDYHCJCWNLENY-ZDUSSCGKSA-N 2 2 296.415 0.245 20 0 CCADLP Cn1ncc2c1nc(NC[C@@H]1CC[N@@H+](C3CC3)C1)[nH+]c2N ZINC000683456287 545523871 /nfs/dbraw/zinc/52/38/71/545523871.db2.gz KCZMBBOUHOYSAG-VIFPVBQESA-N 2 2 287.371 0.842 20 0 CCADLP Cn1ncc2c1nc(NC[C@@H]1CC[N@H+](C3CC3)C1)[nH+]c2N ZINC000683456287 545523878 /nfs/dbraw/zinc/52/38/78/545523878.db2.gz KCZMBBOUHOYSAG-VIFPVBQESA-N 2 2 287.371 0.842 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CC1)[C@H]1C[NH+](C)CCO1 ZINC000683862061 545573961 /nfs/dbraw/zinc/57/39/61/545573961.db2.gz IUWHSVJXDDKLNU-FPMFFAJLSA-N 2 2 281.400 0.449 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CC1)[C@H]1C[NH+](C)CCO1 ZINC000683862061 545573967 /nfs/dbraw/zinc/57/39/67/545573967.db2.gz IUWHSVJXDDKLNU-FPMFFAJLSA-N 2 2 281.400 0.449 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCC[NH+]1C1CC1)[C@H]1C[N@H+](C)CCO1 ZINC000683862061 545573968 /nfs/dbraw/zinc/57/39/68/545573968.db2.gz IUWHSVJXDDKLNU-FPMFFAJLSA-N 2 2 281.400 0.449 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCC[NH+]1C1CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000683862061 545573971 /nfs/dbraw/zinc/57/39/71/545573971.db2.gz IUWHSVJXDDKLNU-FPMFFAJLSA-N 2 2 281.400 0.449 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CC1)[C@H]1C[NH+](C)CCO1 ZINC000683862062 545574097 /nfs/dbraw/zinc/57/40/97/545574097.db2.gz IUWHSVJXDDKLNU-IACUBPJLSA-N 2 2 281.400 0.449 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CC1)[C@H]1C[NH+](C)CCO1 ZINC000683862062 545574102 /nfs/dbraw/zinc/57/41/02/545574102.db2.gz IUWHSVJXDDKLNU-IACUBPJLSA-N 2 2 281.400 0.449 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCC[NH+]1C1CC1)[C@H]1C[N@H+](C)CCO1 ZINC000683862062 545574107 /nfs/dbraw/zinc/57/41/07/545574107.db2.gz IUWHSVJXDDKLNU-IACUBPJLSA-N 2 2 281.400 0.449 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCC[NH+]1C1CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000683862062 545574111 /nfs/dbraw/zinc/57/41/11/545574111.db2.gz IUWHSVJXDDKLNU-IACUBPJLSA-N 2 2 281.400 0.449 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@]1(CO)CCc2ccccc21)C1CC1 ZINC000685568961 545837829 /nfs/dbraw/zinc/83/78/29/545837829.db2.gz WQEJZJAXNIJKFO-WBVHZDCISA-N 2 2 290.407 0.865 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@H](C2CC2)O1 ZINC000791559190 581224721 /nfs/dbraw/zinc/22/47/21/581224721.db2.gz RWBHLTFIEZSTNV-VHDGCEQUSA-N 2 2 268.401 0.942 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@H](C2CC2)O1 ZINC000791559190 581224722 /nfs/dbraw/zinc/22/47/22/581224722.db2.gz RWBHLTFIEZSTNV-VHDGCEQUSA-N 2 2 268.401 0.942 20 0 CCADLP Cc1cc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)n(C)n1 ZINC000793553494 581303126 /nfs/dbraw/zinc/30/31/26/581303126.db2.gz NCLOWBSBENPWFQ-YPMHNXCESA-N 2 2 252.362 0.446 20 0 CCADLP Cc1cc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)n(C)n1 ZINC000793553494 581303127 /nfs/dbraw/zinc/30/31/27/581303127.db2.gz NCLOWBSBENPWFQ-YPMHNXCESA-N 2 2 252.362 0.446 20 0 CCADLP C[C@H]1CN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)CC[N@@H+]1C ZINC000793572377 581303418 /nfs/dbraw/zinc/30/34/18/581303418.db2.gz KBYWGYCEOGADEG-DZGCQCFKSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@H]1CN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)CC[N@H+]1C ZINC000793572377 581303419 /nfs/dbraw/zinc/30/34/19/581303419.db2.gz KBYWGYCEOGADEG-DZGCQCFKSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC[NH+]1C ZINC000793572377 581303420 /nfs/dbraw/zinc/30/34/20/581303420.db2.gz KBYWGYCEOGADEG-DZGCQCFKSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC[NH+]1C ZINC000793572377 581303422 /nfs/dbraw/zinc/30/34/22/581303422.db2.gz KBYWGYCEOGADEG-DZGCQCFKSA-N 2 2 295.427 0.792 20 0 CCADLP COC[C@H]1CCC[N@@H+]1CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783991363 581369597 /nfs/dbraw/zinc/36/95/97/581369597.db2.gz VVZRIRMSOGIPAK-CHWSQXEVSA-N 2 2 292.383 0.804 20 0 CCADLP COC[C@H]1CCC[N@H+]1CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783991363 581369599 /nfs/dbraw/zinc/36/95/99/581369599.db2.gz VVZRIRMSOGIPAK-CHWSQXEVSA-N 2 2 292.383 0.804 20 0 CCADLP C[S@@](=O)CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000795099229 581398612 /nfs/dbraw/zinc/39/86/12/581398612.db2.gz FACAGAAEEHNGGI-QGZVFWFLSA-N 2 2 253.371 0.582 20 0 CCADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CC(C)(C)OC1=O ZINC000795654096 581418532 /nfs/dbraw/zinc/41/85/32/581418532.db2.gz SNPURMPZZAJAKK-GFCCVEGCSA-N 2 2 297.399 0.176 20 0 CCADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CC(C)(C)OC1=O ZINC000795654096 581418533 /nfs/dbraw/zinc/41/85/33/581418533.db2.gz SNPURMPZZAJAKK-GFCCVEGCSA-N 2 2 297.399 0.176 20 0 CCADLP C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000796375545 581438783 /nfs/dbraw/zinc/43/87/83/581438783.db2.gz LQIKRONZTWFTKG-SKDRFNHKSA-N 2 2 282.413 0.819 20 0 CCADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)[C@H]1CCC(=O)NC1=O ZINC000765961707 581541902 /nfs/dbraw/zinc/54/19/02/581541902.db2.gz DXKMIEOIXVTXIK-RYUDHWBXSA-N 2 2 267.373 0.598 20 0 CCADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)[C@H]1CCC(=O)NC1=O ZINC000765961707 581541904 /nfs/dbraw/zinc/54/19/04/581541904.db2.gz DXKMIEOIXVTXIK-RYUDHWBXSA-N 2 2 267.373 0.598 20 0 CCADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)[C@H]1CCC(=O)NC1=O ZINC000765961707 581541906 /nfs/dbraw/zinc/54/19/06/581541906.db2.gz DXKMIEOIXVTXIK-RYUDHWBXSA-N 2 2 267.373 0.598 20 0 CCADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)[C@H]1CCC(=O)NC1=O ZINC000765961707 581541909 /nfs/dbraw/zinc/54/19/09/581541909.db2.gz DXKMIEOIXVTXIK-RYUDHWBXSA-N 2 2 267.373 0.598 20 0 CCADLP Cn1cnn(C[NH+]2CCC(CCC[NH+](C)C)CC2)c1=O ZINC000766381414 581564552 /nfs/dbraw/zinc/56/45/52/581564552.db2.gz MPFUPWMSITYEPB-UHFFFAOYSA-N 2 2 281.404 0.593 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CCO1 ZINC000729265879 581570214 /nfs/dbraw/zinc/57/02/14/581570214.db2.gz QWYYYVXFOQCRHK-ZIAGYGMSSA-N 2 2 292.383 0.767 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CCO1 ZINC000729265879 581570216 /nfs/dbraw/zinc/57/02/16/581570216.db2.gz QWYYYVXFOQCRHK-ZIAGYGMSSA-N 2 2 292.383 0.767 20 0 CCADLP O=C1OCCN1CCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000741807977 581763965 /nfs/dbraw/zinc/76/39/65/581763965.db2.gz OXSUZSWFCDIBPF-CQSZACIVSA-N 2 2 297.399 0.483 20 0 CCADLP O=C1OCCN1CCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000741807977 581763969 /nfs/dbraw/zinc/76/39/69/581763969.db2.gz OXSUZSWFCDIBPF-CQSZACIVSA-N 2 2 297.399 0.483 20 0 CCADLP Cc1cc(N2CCN(c3cc[nH+]c(C)n3)CC2)nc(N)[nH+]1 ZINC000758947229 581776542 /nfs/dbraw/zinc/77/65/42/581776542.db2.gz SUEUPAMAVHMJRR-UHFFFAOYSA-N 2 2 285.355 0.792 20 0 CCADLP O=C1CCCN1[C@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000761114005 581889149 /nfs/dbraw/zinc/88/91/49/581889149.db2.gz KSDBSWJHWKECIY-UONOGXRCSA-N 2 2 281.400 0.140 20 0 CCADLP O=C1CCCN1[C@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000761114005 581889150 /nfs/dbraw/zinc/88/91/50/581889150.db2.gz KSDBSWJHWKECIY-UONOGXRCSA-N 2 2 281.400 0.140 20 0 CCADLP C[NH+](C)C1(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CCC1 ZINC000772811807 581892834 /nfs/dbraw/zinc/89/28/34/581892834.db2.gz IDNGUCFVWGOLMQ-SNVBAGLBSA-N 2 2 262.357 0.868 20 0 CCADLP C[NH+](C)C1(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CCC1 ZINC000772811807 581892836 /nfs/dbraw/zinc/89/28/36/581892836.db2.gz IDNGUCFVWGOLMQ-SNVBAGLBSA-N 2 2 262.357 0.868 20 0 CCADLP C[N@@H+]1CC[C@](O)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC000762723332 581959275 /nfs/dbraw/zinc/95/92/75/581959275.db2.gz SIUYICRQRAMODZ-AWEZNQCLSA-N 2 2 274.324 0.131 20 0 CCADLP C[N@H+]1CC[C@](O)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC000762723332 581959277 /nfs/dbraw/zinc/95/92/77/581959277.db2.gz SIUYICRQRAMODZ-AWEZNQCLSA-N 2 2 274.324 0.131 20 0 CCADLP CON(C)C(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000774609735 581960184 /nfs/dbraw/zinc/96/01/84/581960184.db2.gz YUTKPTRBICILTE-LLVKDONJSA-N 2 2 252.318 0.540 20 0 CCADLP CON(C)C(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000774609735 581960186 /nfs/dbraw/zinc/96/01/86/581960186.db2.gz YUTKPTRBICILTE-LLVKDONJSA-N 2 2 252.318 0.540 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)C2=COCC2)CC1 ZINC000748745865 581984831 /nfs/dbraw/zinc/98/48/31/581984831.db2.gz DBBACWAZPBZZFH-UHFFFAOYSA-N 2 2 267.373 0.433 20 0 CCADLP Cc1cc(NCC[NH+]2CCC([NH+](C)C)CC2)nc(N)[nH+]1 ZINC000749102011 581996723 /nfs/dbraw/zinc/99/67/23/581996723.db2.gz IHWBHZYDHKGSEO-UHFFFAOYSA-N 3 2 278.404 0.805 20 0 CCADLP C[C@H]1CN(C(=O)C[NH+](C)[C@@H]2CCSC2)CC[N@@H+]1C ZINC000764402795 582044985 /nfs/dbraw/zinc/04/49/85/582044985.db2.gz OOQVQRBORAHTCG-NWDGAFQWSA-N 2 2 271.430 0.586 20 0 CCADLP C[C@H]1CN(C(=O)C[NH+](C)[C@@H]2CCSC2)CC[N@H+]1C ZINC000764402795 582044987 /nfs/dbraw/zinc/04/49/87/582044987.db2.gz OOQVQRBORAHTCG-NWDGAFQWSA-N 2 2 271.430 0.586 20 0 CCADLP C[C@H]1CN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC[NH+]1C ZINC000764402795 582044989 /nfs/dbraw/zinc/04/49/89/582044989.db2.gz OOQVQRBORAHTCG-NWDGAFQWSA-N 2 2 271.430 0.586 20 0 CCADLP C[C@H]1CN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC[NH+]1C ZINC000764402795 582044990 /nfs/dbraw/zinc/04/49/90/582044990.db2.gz OOQVQRBORAHTCG-NWDGAFQWSA-N 2 2 271.430 0.586 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000750599682 582052160 /nfs/dbraw/zinc/05/21/60/582052160.db2.gz LGYKTLGUXYQQEX-ZDUSSCGKSA-N 2 2 294.399 0.809 20 0 CCADLP C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000861542476 617173416 /nfs/dbraw/zinc/17/34/16/617173416.db2.gz PLENGKGNKCEXNS-SECBINFHSA-N 2 2 275.312 0.078 20 0 CCADLP C[C@@H]([NH3+])CN(C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000861572254 617174025 /nfs/dbraw/zinc/17/40/25/617174025.db2.gz PQVLEXJLXVYWNT-LLVKDONJSA-N 2 2 272.393 0.086 20 0 CCADLP C[C@@H]([NH3+])CN(C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000861572254 617174026 /nfs/dbraw/zinc/17/40/26/617174026.db2.gz PQVLEXJLXVYWNT-LLVKDONJSA-N 2 2 272.393 0.086 20 0 CCADLP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H](C)[NH+]1CCOCC1 ZINC000900594412 617185457 /nfs/dbraw/zinc/18/54/57/617185457.db2.gz QKSJFQMZQYBNAO-CHWSQXEVSA-N 2 2 281.400 0.308 20 0 CCADLP COc1cccc([C@@H](O)C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000843067955 617308580 /nfs/dbraw/zinc/30/85/80/617308580.db2.gz HXLPLXOACHDDDO-HOCLYGCPSA-N 2 2 294.395 0.773 20 0 CCADLP COc1cccc([C@@H](O)C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000843067955 617308581 /nfs/dbraw/zinc/30/85/81/617308581.db2.gz HXLPLXOACHDDDO-HOCLYGCPSA-N 2 2 294.395 0.773 20 0 CCADLP C/C=C\[C@H](O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900668763 613211075 /nfs/dbraw/zinc/21/10/75/613211075.db2.gz GYFOBORJTKBTFK-VQGNRHNMSA-N 2 2 295.427 0.550 20 0 CCADLP C/C=C\[C@H](O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900668763 613211077 /nfs/dbraw/zinc/21/10/77/613211077.db2.gz GYFOBORJTKBTFK-VQGNRHNMSA-N 2 2 295.427 0.550 20 0 CCADLP C/C(=C/C(=O)N(C)CC[NH+](C)C)C[NH+]1CCOCC1 ZINC000900925396 613227601 /nfs/dbraw/zinc/22/76/01/613227601.db2.gz AZQGODLLSDLFGU-QBFSEMIESA-N 2 2 269.389 0.285 20 0 CCADLP C/C(=C/C(=O)N(C)CC[N@H+](C)C1CC1)C[NH+]1CCOCC1 ZINC000907449284 613227951 /nfs/dbraw/zinc/22/79/51/613227951.db2.gz VUVQWRVOEJSGPX-OWBHPGMISA-N 2 2 295.427 0.818 20 0 CCADLP C/C(=C/C(=O)N(C)CC[N@@H+](C)C1CC1)C[NH+]1CCOCC1 ZINC000907449284 613227953 /nfs/dbraw/zinc/22/79/53/613227953.db2.gz VUVQWRVOEJSGPX-OWBHPGMISA-N 2 2 295.427 0.818 20 0 CCADLP C([NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873261516 613229345 /nfs/dbraw/zinc/22/93/45/613229345.db2.gz PGHLFCUPFQRXOQ-ZIRHEVKLSA-N 3 2 279.428 0.874 20 0 CCADLP C/C(=C/C(=O)N1CC[C@@H]([NH+]2CCC2)C1)C[NH+]1CCOCC1 ZINC000912902071 613232053 /nfs/dbraw/zinc/23/20/53/613232053.db2.gz JEJLGBBTIKQKCU-QKXCFHHRSA-N 2 2 293.411 0.572 20 0 CCADLP C/C(=C/C(=O)NC1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000900001592 613235509 /nfs/dbraw/zinc/23/55/09/613235509.db2.gz GUYFFHYEAXOTNP-QBFSEMIESA-N 2 2 281.400 0.475 20 0 CCADLP C/C(=C/C(=O)NCC[NH+]1CCCC1)C[NH+]1CCOCC1 ZINC000900011190 613236172 /nfs/dbraw/zinc/23/61/72/613236172.db2.gz NDWDEILPYGTZOQ-OWBHPGMISA-N 2 2 281.400 0.477 20 0 CCADLP C/C(=C/C(=O)NC[C@@H](C1CC1)[NH+](C)C)C[NH+]1CCOCC1 ZINC000900283454 613236781 /nfs/dbraw/zinc/23/67/81/613236781.db2.gz RRZJFHYLDRQBMN-WVUXNXBLSA-N 2 2 295.427 0.721 20 0 CCADLP CC(C)(C)N1C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1=O ZINC000925571227 613946510 /nfs/dbraw/zinc/94/65/10/613946510.db2.gz BKEGPDGUZXJFPB-MDFWMIKMSA-N 2 2 277.412 0.972 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923521781 613949831 /nfs/dbraw/zinc/94/98/31/613949831.db2.gz VDJCOLBVSCRSQQ-WDEREUQCSA-N 2 2 282.388 0.152 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923521781 613949833 /nfs/dbraw/zinc/94/98/33/613949833.db2.gz VDJCOLBVSCRSQQ-WDEREUQCSA-N 2 2 282.388 0.152 20 0 CCADLP CC(C)[C@@H](O)CC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000878292210 614144101 /nfs/dbraw/zinc/14/41/01/614144101.db2.gz GUFXKKOYEQTGER-CABCVRRESA-N 2 2 297.443 0.808 20 0 CCADLP CC(C)[C@@H](O)CC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000878292210 614144103 /nfs/dbraw/zinc/14/41/03/614144103.db2.gz GUFXKKOYEQTGER-CABCVRRESA-N 2 2 297.443 0.808 20 0 CCADLP CC(C)COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931282966 614164854 /nfs/dbraw/zinc/16/48/54/614164854.db2.gz OZGCJKUFYKIRLQ-IGQOVBAYSA-N 2 2 256.390 0.512 20 0 CCADLP CC(C)COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931282966 614164855 /nfs/dbraw/zinc/16/48/55/614164855.db2.gz OZGCJKUFYKIRLQ-IGQOVBAYSA-N 2 2 256.390 0.512 20 0 CCADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)C[C@H]([NH3+])C(F)F ZINC000911872127 614225471 /nfs/dbraw/zinc/22/54/71/614225471.db2.gz WXCMFDRXRDNDMZ-BDAKNGLRSA-N 2 2 251.321 0.801 20 0 CCADLP CC(C)C[C@](C)(C[NH3+])NC(=O)C[C@H]([NH3+])C(F)F ZINC000911830017 614228977 /nfs/dbraw/zinc/22/89/77/614228977.db2.gz NRCSOBGHMVDLTL-GZMMTYOYSA-N 2 2 251.321 0.849 20 0 CCADLP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000864693467 614325469 /nfs/dbraw/zinc/32/54/69/614325469.db2.gz NATYNKPIHNBIKK-ZDUSSCGKSA-N 2 2 280.372 0.774 20 0 CCADLP CC(C)c1[nH+]ccn1CCNC(=O)[C@H]1CSC[NH2+]1 ZINC000844174578 614328390 /nfs/dbraw/zinc/32/83/90/614328390.db2.gz LVTFGACTXGRVBP-SNVBAGLBSA-N 2 2 268.386 0.785 20 0 CCADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000951196453 614331203 /nfs/dbraw/zinc/33/12/03/614331203.db2.gz WLSKMJAIFTYWGJ-CQSZACIVSA-N 2 2 283.416 0.386 20 0 CCADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000951196453 614331206 /nfs/dbraw/zinc/33/12/06/614331206.db2.gz WLSKMJAIFTYWGJ-CQSZACIVSA-N 2 2 283.416 0.386 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCO)[C@H](C)C1 ZINC000935500148 614350651 /nfs/dbraw/zinc/35/06/51/614350651.db2.gz SGMHWVUHMVLQOZ-KGLIPLIRSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCO)[C@H](C)C1 ZINC000935500148 614350653 /nfs/dbraw/zinc/35/06/53/614350653.db2.gz SGMHWVUHMVLQOZ-KGLIPLIRSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000935500148 614350655 /nfs/dbraw/zinc/35/06/55/614350655.db2.gz SGMHWVUHMVLQOZ-KGLIPLIRSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000935500148 614350657 /nfs/dbraw/zinc/35/06/57/614350657.db2.gz SGMHWVUHMVLQOZ-KGLIPLIRSA-N 2 2 283.416 0.384 20 0 CCADLP CCC[C@]1(C)C(=O)NCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903456305 614453912 /nfs/dbraw/zinc/45/39/12/614453912.db2.gz GJMYXKQVPDQJNJ-MBNYWOFBSA-N 2 2 253.390 0.833 20 0 CCADLP CCC[C@]1(C)C(=O)NCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903456305 614453914 /nfs/dbraw/zinc/45/39/14/614453914.db2.gz GJMYXKQVPDQJNJ-MBNYWOFBSA-N 2 2 253.390 0.833 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)C[NH+]2CCCC2)CCO1 ZINC000874268568 614655504 /nfs/dbraw/zinc/65/55/04/614655504.db2.gz OLUGCXAFJKOCHL-UHFFFAOYSA-N 2 2 269.389 0.309 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)C[NH+]2CCCC2)CCO1 ZINC000874268568 614655507 /nfs/dbraw/zinc/65/55/07/614655507.db2.gz OLUGCXAFJKOCHL-UHFFFAOYSA-N 2 2 269.389 0.309 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CCO1 ZINC000876747101 614655866 /nfs/dbraw/zinc/65/58/66/614655866.db2.gz VUIFTJIEJINIHZ-UWVGGRQHSA-N 2 2 291.342 0.053 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CCO1 ZINC000876747101 614655867 /nfs/dbraw/zinc/65/58/67/614655867.db2.gz VUIFTJIEJINIHZ-UWVGGRQHSA-N 2 2 291.342 0.053 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)C1C[NH+](CCCO)C1 ZINC000950469951 614659425 /nfs/dbraw/zinc/65/94/25/614659425.db2.gz VGBZIUDANHNSNY-OAHLLOKOSA-N 2 2 297.443 0.776 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N(CC)C1C[NH+](CCCO)C1 ZINC000950469951 614659427 /nfs/dbraw/zinc/65/94/27/614659427.db2.gz VGBZIUDANHNSNY-OAHLLOKOSA-N 2 2 297.443 0.776 20 0 CCADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+]([C@@H](C)COC)C1 ZINC000949780341 614671120 /nfs/dbraw/zinc/67/11/20/614671120.db2.gz JVYOFCQLRUSGOJ-GXTWGEPZSA-N 2 2 283.416 0.648 20 0 CCADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)C1C[NH+]([C@@H](C)COC)C1 ZINC000949780341 614671121 /nfs/dbraw/zinc/67/11/21/614671121.db2.gz JVYOFCQLRUSGOJ-GXTWGEPZSA-N 2 2 283.416 0.648 20 0 CCADLP CCC1(CC)CNC(=O)[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)C(C)C ZINC000933287701 614688146 /nfs/dbraw/zinc/68/81/46/614688146.db2.gz ZAQNXRXWRZJVEG-CHWSQXEVSA-N 2 2 285.432 0.582 20 0 CCADLP CCC1(CC)CNC(=O)[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000933287701 614688148 /nfs/dbraw/zinc/68/81/48/614688148.db2.gz ZAQNXRXWRZJVEG-CHWSQXEVSA-N 2 2 285.432 0.582 20 0 CCADLP CC1(C)C[NH2+]C[C@H]1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000884176747 614708363 /nfs/dbraw/zinc/70/83/63/614708363.db2.gz OMEOVYWXJNDDMX-ZDUSSCGKSA-N 2 2 288.395 0.976 20 0 CCADLP CC1(C)CO[C@H](C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000872142807 614735578 /nfs/dbraw/zinc/73/55/78/614735578.db2.gz DBCNDPVQLCFFLF-KBPBESRZSA-N 2 2 295.427 0.698 20 0 CCADLP CC1(C)CO[C@H](C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000872142807 614735582 /nfs/dbraw/zinc/73/55/82/614735582.db2.gz DBCNDPVQLCFFLF-KBPBESRZSA-N 2 2 295.427 0.698 20 0 CCADLP CC1(C)[NH2+]CC[C@H]1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876872220 614808045 /nfs/dbraw/zinc/80/80/45/614808045.db2.gz VMESFTKGITXTRW-VSQXVHSFSA-N 2 2 267.373 0.132 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(N2CCOC2=O)CC1 ZINC000852720507 614849845 /nfs/dbraw/zinc/84/98/45/614849845.db2.gz IMKCXTIIOYKIHK-CYBMUJFWSA-N 2 2 285.388 0.216 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(N2CCOC2=O)CC1 ZINC000852720507 614849847 /nfs/dbraw/zinc/84/98/47/614849847.db2.gz IMKCXTIIOYKIHK-CYBMUJFWSA-N 2 2 285.388 0.216 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H]1C(=O)NCC1(CC)CC ZINC000933284275 614852138 /nfs/dbraw/zinc/85/21/38/614852138.db2.gz GCDJFBDVSXWYMX-RYUDHWBXSA-N 2 2 271.405 0.193 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1C(=O)NCC1(CC)CC ZINC000933284275 614852141 /nfs/dbraw/zinc/85/21/41/614852141.db2.gz GCDJFBDVSXWYMX-RYUDHWBXSA-N 2 2 271.405 0.193 20 0 CCADLP CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000971813912 614893328 /nfs/dbraw/zinc/89/33/28/614893328.db2.gz QTZPGFGGQOKROX-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000971813912 614893329 /nfs/dbraw/zinc/89/33/29/614893329.db2.gz QTZPGFGGQOKROX-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP CC1([NH+]2CCCC2)CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000870256906 614913237 /nfs/dbraw/zinc/91/32/37/614913237.db2.gz BIBIMEDTSJVOBK-ZDUSSCGKSA-N 2 2 292.383 0.920 20 0 CCADLP CCCNc1cc(N2CC[N@@H+]3CCOC[C@H]3C2)nc[nH+]1 ZINC000865676600 614921365 /nfs/dbraw/zinc/92/13/65/614921365.db2.gz OSAFPKMLCRXMOI-GFCCVEGCSA-N 2 2 277.372 0.819 20 0 CCADLP CCCNc1cc(N2CC[N@H+]3CCOC[C@H]3C2)nc[nH+]1 ZINC000865676600 614921369 /nfs/dbraw/zinc/92/13/69/614921369.db2.gz OSAFPKMLCRXMOI-GFCCVEGCSA-N 2 2 277.372 0.819 20 0 CCADLP CCCNc1cc(N2CCC([NH2+]CCO)CC2)nc[nH+]1 ZINC000865647622 614921789 /nfs/dbraw/zinc/92/17/89/614921789.db2.gz FXERMGPVNLCIOI-UHFFFAOYSA-N 2 2 279.388 0.849 20 0 CCADLP CCCNc1cc(N2CCC([NH2+]CCO)CC2)[nH+]cn1 ZINC000865647622 614921791 /nfs/dbraw/zinc/92/17/91/614921791.db2.gz FXERMGPVNLCIOI-UHFFFAOYSA-N 2 2 279.388 0.849 20 0 CCADLP CC[N@H+](CC(=O)N1CCN(C)CC[NH+](C)CC1)C1CC1 ZINC000888989629 614928573 /nfs/dbraw/zinc/92/85/73/614928573.db2.gz STAVHLLCHYGUDX-UHFFFAOYSA-N 2 2 282.432 0.177 20 0 CCADLP CC[N@@H+](CC(=O)N1CCN(C)CC[NH+](C)CC1)C1CC1 ZINC000888989629 614928575 /nfs/dbraw/zinc/92/85/75/614928575.db2.gz STAVHLLCHYGUDX-UHFFFAOYSA-N 2 2 282.432 0.177 20 0 CCADLP CC[NH+](CC(=O)N1CCN(C)CC[N@H+](C)CC1)C1CC1 ZINC000888989629 614928576 /nfs/dbraw/zinc/92/85/76/614928576.db2.gz STAVHLLCHYGUDX-UHFFFAOYSA-N 2 2 282.432 0.177 20 0 CCADLP CC[NH+](CC(=O)N1CCN(C)CC[N@@H+](C)CC1)C1CC1 ZINC000888989629 614928578 /nfs/dbraw/zinc/92/85/78/614928578.db2.gz STAVHLLCHYGUDX-UHFFFAOYSA-N 2 2 282.432 0.177 20 0 CCADLP CCN(CC)C(=O)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000848527275 614977292 /nfs/dbraw/zinc/97/72/92/614977292.db2.gz XRZQQRCMRHIIRE-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H]2CCC(=O)O2)CC1 ZINC000821367820 614988470 /nfs/dbraw/zinc/98/84/70/614988470.db2.gz GQZFDBPOHDSKBE-ZDUSSCGKSA-N 2 2 297.399 0.178 20 0 CCADLP CC[NH+](CC)CCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864386886 614994439 /nfs/dbraw/zinc/99/44/39/614994439.db2.gz KFBZAJJPKLLLRP-AATRIKPKSA-N 2 2 269.389 0.333 20 0 CCADLP CC[N@H+](CCS(C)(=O)=O)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903755752 615059139 /nfs/dbraw/zinc/05/91/39/615059139.db2.gz LFXVLWCUYGLZDD-STQMWFEESA-N 2 2 290.429 0.122 20 0 CCADLP CC[N@@H+](CCS(C)(=O)=O)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903755752 615059140 /nfs/dbraw/zinc/05/91/40/615059140.db2.gz LFXVLWCUYGLZDD-STQMWFEESA-N 2 2 290.429 0.122 20 0 CCADLP CC[N@@H+]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC000804380314 615148925 /nfs/dbraw/zinc/14/89/25/615148925.db2.gz HNXFAUAQBLENHM-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP CC[N@H+]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC000804380314 615148926 /nfs/dbraw/zinc/14/89/26/615148926.db2.gz HNXFAUAQBLENHM-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP CC[NH+]1CCN(CCNc2cc(NC)[nH+]cn2)CC1 ZINC000891757806 615158708 /nfs/dbraw/zinc/15/87/08/615158708.db2.gz URGQXGQBOXUYIS-UHFFFAOYSA-N 2 2 264.377 0.568 20 0 CCADLP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925493767 615159641 /nfs/dbraw/zinc/15/96/41/615159641.db2.gz ZCZAHWULEPNCGT-GJZGRUSLSA-N 3 2 282.476 0.990 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C)C[C@@H]2CC(C)C)C1 ZINC000886592818 615169516 /nfs/dbraw/zinc/16/95/16/615169516.db2.gz BZOHLXXGQYQNDN-LSDHHAIUSA-N 2 2 297.443 0.896 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](C)C[C@@H]2CC(C)C)C1 ZINC000886592818 615169517 /nfs/dbraw/zinc/16/95/17/615169517.db2.gz BZOHLXXGQYQNDN-LSDHHAIUSA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2CC(C)C)C1 ZINC000886592818 615169519 /nfs/dbraw/zinc/16/95/19/615169519.db2.gz BZOHLXXGQYQNDN-LSDHHAIUSA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2CC(C)C)C1 ZINC000886592818 615169521 /nfs/dbraw/zinc/16/95/21/615169521.db2.gz BZOHLXXGQYQNDN-LSDHHAIUSA-N 2 2 297.443 0.896 20 0 CCADLP CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000972639387 615177586 /nfs/dbraw/zinc/17/75/86/615177586.db2.gz SJAOZDLPPXMNLU-HNNXBMFYSA-N 2 2 292.383 0.286 20 0 CCADLP CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC000972639387 615177588 /nfs/dbraw/zinc/17/75/88/615177588.db2.gz SJAOZDLPPXMNLU-HNNXBMFYSA-N 2 2 292.383 0.286 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NCC(C)(C)n2cc[nH+]c2)C1 ZINC000898904616 615182805 /nfs/dbraw/zinc/18/28/05/615182805.db2.gz XXUDTRWBFLNNTJ-LBPRGKRZSA-N 2 2 280.372 0.455 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NCC(C)(C)n2cc[nH+]c2)C1 ZINC000898904616 615182806 /nfs/dbraw/zinc/18/28/06/615182806.db2.gz XXUDTRWBFLNNTJ-LBPRGKRZSA-N 2 2 280.372 0.455 20 0 CCADLP CC[N@@H+]1CC[C@@H](CNC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000864961918 615203928 /nfs/dbraw/zinc/20/39/28/615203928.db2.gz GKHQIKVRTGWJNI-NQHOJNORSA-N 2 2 281.400 0.333 20 0 CCADLP CC[N@H+]1CC[C@@H](CNC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000864961918 615203929 /nfs/dbraw/zinc/20/39/29/615203929.db2.gz GKHQIKVRTGWJNI-NQHOJNORSA-N 2 2 281.400 0.333 20 0 CCADLP CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCO2)C1 ZINC000852751101 615229070 /nfs/dbraw/zinc/22/90/70/615229070.db2.gz PBWJQDFIRZMLPW-IHRRRGAJSA-N 2 2 299.415 0.821 20 0 CCADLP CCN1CC[C@H]([N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)C1=O ZINC000879579041 615275693 /nfs/dbraw/zinc/27/56/93/615275693.db2.gz IVTXIDOIROFMJI-AVGNSLFASA-N 2 2 251.374 0.633 20 0 CCADLP CCN1CC[C@H]([N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)C1=O ZINC000879579041 615275694 /nfs/dbraw/zinc/27/56/94/615275694.db2.gz IVTXIDOIROFMJI-AVGNSLFASA-N 2 2 251.374 0.633 20 0 CCADLP CCN1CC[C@H]([NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)C1=O ZINC000879579041 615275695 /nfs/dbraw/zinc/27/56/95/615275695.db2.gz IVTXIDOIROFMJI-AVGNSLFASA-N 2 2 251.374 0.633 20 0 CCADLP CCN1CC[C@H]([NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)C1=O ZINC000879579041 615275696 /nfs/dbraw/zinc/27/56/96/615275696.db2.gz IVTXIDOIROFMJI-AVGNSLFASA-N 2 2 251.374 0.633 20 0 CCADLP CCOC(=O)[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000932641658 615291929 /nfs/dbraw/zinc/29/19/29/615291929.db2.gz LXMVCSDFUWNWHV-LLVKDONJSA-N 2 2 251.330 0.848 20 0 CCADLP CCOC(=O)[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000932641658 615291931 /nfs/dbraw/zinc/29/19/31/615291931.db2.gz LXMVCSDFUWNWHV-LLVKDONJSA-N 2 2 251.330 0.848 20 0 CCADLP CCOC[C@@H](O)C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931510927 615308014 /nfs/dbraw/zinc/30/80/14/615308014.db2.gz IIWMZQKCTUWARS-JTQLQIEISA-N 2 2 251.330 0.419 20 0 CCADLP CCOC[C@@H](O)C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931510927 615308016 /nfs/dbraw/zinc/30/80/16/615308016.db2.gz IIWMZQKCTUWARS-JTQLQIEISA-N 2 2 251.330 0.419 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000890060519 615317658 /nfs/dbraw/zinc/31/76/58/615317658.db2.gz UMLAKNYNAQZBDQ-MELADBBJSA-N 2 2 296.415 0.243 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000890060519 615317660 /nfs/dbraw/zinc/31/76/60/615317660.db2.gz UMLAKNYNAQZBDQ-MELADBBJSA-N 2 2 296.415 0.243 20 0 CCADLP CC[NH+]1CC[C@H]1CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000890060519 615317661 /nfs/dbraw/zinc/31/76/61/615317661.db2.gz UMLAKNYNAQZBDQ-MELADBBJSA-N 2 2 296.415 0.243 20 0 CCADLP CC[NH+]1CC[C@H]1CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000890060519 615317663 /nfs/dbraw/zinc/31/76/63/615317663.db2.gz UMLAKNYNAQZBDQ-MELADBBJSA-N 2 2 296.415 0.243 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)NCC[NH+]1CCOCC1(C)C ZINC000883321875 615317953 /nfs/dbraw/zinc/31/79/53/615317953.db2.gz OMAUAXUJRKGTJI-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)NCC[NH+]1CCOCC1(C)C ZINC000883321875 615317956 /nfs/dbraw/zinc/31/79/56/615317956.db2.gz OMAUAXUJRKGTJI-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH+]1CC[C@H]1CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000883321875 615317959 /nfs/dbraw/zinc/31/79/59/615317959.db2.gz OMAUAXUJRKGTJI-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH+]1CC[C@H]1CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000883321875 615317961 /nfs/dbraw/zinc/31/79/61/615317961.db2.gz OMAUAXUJRKGTJI-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CCON(C)C(=O)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000848919328 615336650 /nfs/dbraw/zinc/33/66/50/615336650.db2.gz JXPGPGNSZXRUOL-ZDUSSCGKSA-N 2 2 285.388 0.239 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872289 615346419 /nfs/dbraw/zinc/34/64/19/615346419.db2.gz OJXAKIGWXAZCLI-ZDUSSCGKSA-N 2 2 289.445 0.391 20 0 CCADLP CCS(=O)(=O)NCC[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872289 615346422 /nfs/dbraw/zinc/34/64/22/615346422.db2.gz OJXAKIGWXAZCLI-ZDUSSCGKSA-N 2 2 289.445 0.391 20 0 CCADLP CC[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1CO)[NH+](CC)CC ZINC000912744576 615370991 /nfs/dbraw/zinc/37/09/91/615370991.db2.gz XCZOHRKVZYZYLO-STQMWFEESA-N 2 2 271.405 0.242 20 0 CCADLP CC[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1CO)[NH+](CC)CC ZINC000912744576 615370993 /nfs/dbraw/zinc/37/09/93/615370993.db2.gz XCZOHRKVZYZYLO-STQMWFEESA-N 2 2 271.405 0.242 20 0 CCADLP CCO[C@@H](CNC(=O)CCn1cc[nH+]c1)C[NH+](C)C ZINC000831752097 615405591 /nfs/dbraw/zinc/40/55/91/615405591.db2.gz UWWHZZKCAILYOR-LBPRGKRZSA-N 2 2 268.361 0.356 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CC[N@@H+]1CC ZINC000924021832 615478274 /nfs/dbraw/zinc/47/82/74/615478274.db2.gz OGAKVYYKAXWRMH-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CC[N@H+]1CC ZINC000924021832 615478276 /nfs/dbraw/zinc/47/82/76/615478276.db2.gz OGAKVYYKAXWRMH-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000928647593 615478828 /nfs/dbraw/zinc/47/88/28/615478828.db2.gz QJXIQTGJMCJGFR-HZSPNIEDSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000928647593 615478829 /nfs/dbraw/zinc/47/88/29/615478829.db2.gz QJXIQTGJMCJGFR-HZSPNIEDSA-N 2 2 283.416 0.554 20 0 CCADLP CCO[C@H](CNc1nc[nH+]c(N)c1OC)C[NH+](C)C ZINC000896111359 615484812 /nfs/dbraw/zinc/48/48/12/615484812.db2.gz DRKAKILAONRBSB-SECBINFHSA-N 2 2 269.349 0.446 20 0 CCADLP CCO[C@H](CNc1[nH+]cnc(N)c1OC)C[NH+](C)C ZINC000896111359 615484814 /nfs/dbraw/zinc/48/48/14/615484814.db2.gz DRKAKILAONRBSB-SECBINFHSA-N 2 2 269.349 0.446 20 0 CCADLP CC[C@@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000925770085 615539126 /nfs/dbraw/zinc/53/91/26/615539126.db2.gz SMLVEHHRGREPFV-KKOKHZNYSA-N 2 2 260.403 0.682 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1CCC[NH+]1C ZINC000875151583 615567757 /nfs/dbraw/zinc/56/77/57/615567757.db2.gz KERFXNIIAKFUSL-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1CCC[NH+]1C ZINC000875151583 615567758 /nfs/dbraw/zinc/56/77/58/615567758.db2.gz KERFXNIIAKFUSL-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000875151583 615567759 /nfs/dbraw/zinc/56/77/59/615567759.db2.gz KERFXNIIAKFUSL-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000875151583 615567760 /nfs/dbraw/zinc/56/77/60/615567760.db2.gz KERFXNIIAKFUSL-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000877432169 615568601 /nfs/dbraw/zinc/56/86/01/615568601.db2.gz BDOOYHBQKDSGGN-CHWSQXEVSA-N 2 2 269.389 0.356 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000877432169 615568602 /nfs/dbraw/zinc/56/86/02/615568602.db2.gz BDOOYHBQKDSGGN-CHWSQXEVSA-N 2 2 269.389 0.356 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])C(C)C ZINC000877432781 615568704 /nfs/dbraw/zinc/56/87/04/615568704.db2.gz GYYFBEMFNNUWKR-VXGBXAGGSA-N 2 2 257.378 0.197 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]([NH3+])C(C)C ZINC000877432781 615568705 /nfs/dbraw/zinc/56/87/05/615568705.db2.gz GYYFBEMFNNUWKR-VXGBXAGGSA-N 2 2 257.378 0.197 20 0 CCADLP CC[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1CO)[NH+](CC)CC ZINC000912744568 615601111 /nfs/dbraw/zinc/60/11/11/615601111.db2.gz XCZOHRKVZYZYLO-CHWSQXEVSA-N 2 2 271.405 0.242 20 0 CCADLP CC[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1CO)[NH+](CC)CC ZINC000912744568 615601113 /nfs/dbraw/zinc/60/11/13/615601113.db2.gz XCZOHRKVZYZYLO-CHWSQXEVSA-N 2 2 271.405 0.242 20 0 CCADLP CC[C@H](C(=O)NCC[N@@H+]1CCOC[C@H]1CC)[NH+](C)C ZINC000874704728 615606189 /nfs/dbraw/zinc/60/61/89/615606189.db2.gz MMDLPYYXWHIVEM-CHWSQXEVSA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@H](C(=O)NCC[N@H+]1CCOC[C@H]1CC)[NH+](C)C ZINC000874704728 615606192 /nfs/dbraw/zinc/60/61/92/615606192.db2.gz MMDLPYYXWHIVEM-CHWSQXEVSA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@H]([NH2+]CCN1CCC([NH3+])CC1)[C@@H]1CCCC[NH2+]1 ZINC000925815890 615817971 /nfs/dbraw/zinc/81/79/71/615817971.db2.gz BPUXYPFWWMKMRB-GJZGRUSLSA-N 3 2 268.449 0.920 20 0 CCADLP C[NH+](C)C1(C(=O)N[C@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000779215187 615844339 /nfs/dbraw/zinc/84/43/39/615844339.db2.gz JOMDGAZQCNHURM-NSHDSACASA-N 2 2 262.357 0.798 20 0 CCADLP C[NH+](C)C1CCN(CC[NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925532280 615856618 /nfs/dbraw/zinc/85/66/18/615856618.db2.gz WJDHSNDPGDHDKX-HNNXBMFYSA-N 3 2 280.460 0.887 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC000870081459 615864078 /nfs/dbraw/zinc/86/40/78/615864078.db2.gz HFFDXSDKHWVFOA-ZDUSSCGKSA-N 2 2 263.341 0.427 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNc1cc(=O)[nH]cn1 ZINC000894521960 615880317 /nfs/dbraw/zinc/88/03/17/615880317.db2.gz XAGFLTHTDHAJNS-UHFFFAOYSA-N 2 2 253.350 0.478 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNc1cc(=O)[nH]cn1 ZINC000894521960 615880320 /nfs/dbraw/zinc/88/03/20/615880320.db2.gz XAGFLTHTDHAJNS-UHFFFAOYSA-N 2 2 253.350 0.478 20 0 CCADLP C[NH+](C)CCCNC(=S)NCCCn1cc[nH+]c1 ZINC000916546161 615882909 /nfs/dbraw/zinc/88/29/09/615882909.db2.gz ULSNLCCSFANGGA-UHFFFAOYSA-N 2 2 269.418 0.689 20 0 CCADLP C[NH+](C)CCCOC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000816944122 615884697 /nfs/dbraw/zinc/88/46/97/615884697.db2.gz SEWISCWKSGNMIM-UHFFFAOYSA-N 2 2 294.399 0.912 20 0 CCADLP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CCO1 ZINC000869313955 615887497 /nfs/dbraw/zinc/88/74/97/615887497.db2.gz MKLWDJFYJTWXLI-YPMHNXCESA-N 2 2 296.371 0.012 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)Cn1cc[nH+]c1C ZINC000874711986 615923960 /nfs/dbraw/zinc/92/39/60/615923960.db2.gz SYWGHNWHYCNTAB-ZDUSSCGKSA-N 2 2 280.372 0.419 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)Cn1cc[nH+]c1C ZINC000874711986 615923962 /nfs/dbraw/zinc/92/39/62/615923962.db2.gz SYWGHNWHYCNTAB-ZDUSSCGKSA-N 2 2 280.372 0.419 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C[NH+]1CCCC1 ZINC000874706972 615924041 /nfs/dbraw/zinc/92/40/41/615924041.db2.gz CHDWVROCWKSYBZ-ZDUSSCGKSA-N 2 2 269.389 0.309 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C[NH+]1CCCC1 ZINC000874706972 615924043 /nfs/dbraw/zinc/92/40/43/615924043.db2.gz CHDWVROCWKSYBZ-ZDUSSCGKSA-N 2 2 269.389 0.309 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C[NH2+]C(C)C ZINC000877432468 615924368 /nfs/dbraw/zinc/92/43/68/615924368.db2.gz DTBQFMAWHMPSBV-LBPRGKRZSA-N 2 2 257.378 0.211 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C[NH2+]C(C)C ZINC000877432468 615924370 /nfs/dbraw/zinc/92/43/70/615924370.db2.gz DTBQFMAWHMPSBV-LBPRGKRZSA-N 2 2 257.378 0.211 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1CC[NH+]1C ZINC000925428366 615924952 /nfs/dbraw/zinc/92/49/52/615924952.db2.gz GLAIPUXDMXSPGB-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1CC[NH+]1C ZINC000925428366 615924955 /nfs/dbraw/zinc/92/49/55/615924955.db2.gz GLAIPUXDMXSPGB-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP CC[C@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CC[N@@H+]1C ZINC000925428366 615924957 /nfs/dbraw/zinc/92/49/57/615924957.db2.gz GLAIPUXDMXSPGB-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP CC[C@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CC[N@H+]1C ZINC000925428366 615924959 /nfs/dbraw/zinc/92/49/59/615924959.db2.gz GLAIPUXDMXSPGB-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP C[NH+](C)C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000900564412 615926295 /nfs/dbraw/zinc/92/62/95/615926295.db2.gz WDQFJWJZZIJVLD-LBPRGKRZSA-N 2 2 250.346 0.895 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000877433732 615927678 /nfs/dbraw/zinc/92/76/78/615927678.db2.gz HYPSRLWYJRGSIM-NWDGAFQWSA-N 2 2 269.389 0.211 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000877433732 615927681 /nfs/dbraw/zinc/92/76/81/615927681.db2.gz HYPSRLWYJRGSIM-NWDGAFQWSA-N 2 2 269.389 0.211 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@](C)(O)C(F)F)C1 ZINC000886273873 615937205 /nfs/dbraw/zinc/93/72/05/615937205.db2.gz IENUYQHYEBYKSD-RYUDHWBXSA-N 2 2 266.332 0.391 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@](C)(O)C(F)F)C1 ZINC000886273873 615937208 /nfs/dbraw/zinc/93/72/08/615937208.db2.gz IENUYQHYEBYKSD-RYUDHWBXSA-N 2 2 266.332 0.391 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCc3nnnn3-c3ccccc3)C[C@H]21 ZINC000931282069 615997601 /nfs/dbraw/zinc/99/76/01/615997601.db2.gz GVMMCDLIPLAFNP-FOLVSLTJSA-N 2 2 298.394 0.697 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCc3nnnn3-c3ccccc3)C[C@H]21 ZINC000931282069 615997606 /nfs/dbraw/zinc/99/76/06/615997606.db2.gz GVMMCDLIPLAFNP-FOLVSLTJSA-N 2 2 298.394 0.697 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+]([C@H]3CCN(C4CCOCC4)C3=O)C[C@H]21 ZINC000931279628 615999090 /nfs/dbraw/zinc/99/90/90/615999090.db2.gz MKJHGQWUTLXJCB-LJISPDSOSA-N 2 2 293.411 0.258 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(C4CCOCC4)C3=O)C[C@H]21 ZINC000931279628 615999092 /nfs/dbraw/zinc/99/90/92/615999092.db2.gz MKJHGQWUTLXJCB-LJISPDSOSA-N 2 2 293.411 0.258 20 0 CCADLP CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)O1 ZINC000925629655 616000873 /nfs/dbraw/zinc/00/08/73/616000873.db2.gz LXJSAIBBZAHQPJ-MELADBBJSA-N 2 2 295.427 0.887 20 0 CCADLP CN(C)c1cc(NC(=O)NC[C@@H]2CC[N@@H+]2C)cc[nH+]1 ZINC000932171825 616009109 /nfs/dbraw/zinc/00/91/09/616009109.db2.gz IRLVPYHGXWMFCR-NSHDSACASA-N 2 2 263.345 0.973 20 0 CCADLP CN(C)c1cc(NC(=O)NC[C@@H]2CC[N@H+]2C)cc[nH+]1 ZINC000932171825 616009111 /nfs/dbraw/zinc/00/91/11/616009111.db2.gz IRLVPYHGXWMFCR-NSHDSACASA-N 2 2 263.345 0.973 20 0 CCADLP CN(C)c1cc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)nc[nH+]1 ZINC000892143708 616010836 /nfs/dbraw/zinc/01/08/36/616010836.db2.gz LOKZRJLUHUPXDN-RYUDHWBXSA-N 2 2 277.372 0.818 20 0 CCADLP CN(C)c1cc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)nc[nH+]1 ZINC000892143708 616010838 /nfs/dbraw/zinc/01/08/38/616010838.db2.gz LOKZRJLUHUPXDN-RYUDHWBXSA-N 2 2 277.372 0.818 20 0 CCADLP CN(C)c1cc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)[nH+]cn1 ZINC000892143708 616010841 /nfs/dbraw/zinc/01/08/41/616010841.db2.gz LOKZRJLUHUPXDN-RYUDHWBXSA-N 2 2 277.372 0.818 20 0 CCADLP CN(C)c1cc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)[nH+]cn1 ZINC000892143708 616010844 /nfs/dbraw/zinc/01/08/44/616010844.db2.gz LOKZRJLUHUPXDN-RYUDHWBXSA-N 2 2 277.372 0.818 20 0 CCADLP CN(C)c1cc[nH+]c(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)n1 ZINC000853964781 616028486 /nfs/dbraw/zinc/02/84/86/616028486.db2.gz AMLWJCUAFLPTJR-ZDUSSCGKSA-N 2 2 291.399 0.578 20 0 CCADLP CN(C)c1cc[nH+]c(N2CCC([N@H+]3CC[C@H](O)C3)CC2)n1 ZINC000853964781 616028487 /nfs/dbraw/zinc/02/84/87/616028487.db2.gz AMLWJCUAFLPTJR-ZDUSSCGKSA-N 2 2 291.399 0.578 20 0 CCADLP C[N@H+](CC(=O)NC(=O)NC1CCCCC1)C1CC[NH2+]CC1 ZINC000036301267 616045945 /nfs/dbraw/zinc/04/59/45/616045945.db2.gz CCHHMIHODNSSJF-UHFFFAOYSA-N 2 2 296.415 0.829 20 0 CCADLP C[N@@H+](CC(=O)NC(=O)NC1CCCCC1)C1CC[NH2+]CC1 ZINC000036301267 616045946 /nfs/dbraw/zinc/04/59/46/616045946.db2.gz CCHHMIHODNSSJF-UHFFFAOYSA-N 2 2 296.415 0.829 20 0 CCADLP C[N@H+](CC1CC1)C[C@@H]1CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000960528159 616059374 /nfs/dbraw/zinc/05/93/74/616059374.db2.gz PUKLEQMNUFDUJB-LSDHHAIUSA-N 2 2 295.427 0.650 20 0 CCADLP C[N@@H+](CC1CC1)C[C@@H]1CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000960528159 616059375 /nfs/dbraw/zinc/05/93/75/616059375.db2.gz PUKLEQMNUFDUJB-LSDHHAIUSA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+](CC1CC1)C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000960528159 616059376 /nfs/dbraw/zinc/05/93/76/616059376.db2.gz PUKLEQMNUFDUJB-LSDHHAIUSA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+](CC1CC1)C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000960528159 616059377 /nfs/dbraw/zinc/05/93/77/616059377.db2.gz PUKLEQMNUFDUJB-LSDHHAIUSA-N 2 2 295.427 0.650 20 0 CCADLP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000866283411 616060617 /nfs/dbraw/zinc/06/06/17/616060617.db2.gz XUXNERCRJDJEBK-OCCSQVGLSA-N 2 2 292.383 0.633 20 0 CCADLP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000866283411 616060618 /nfs/dbraw/zinc/06/06/18/616060618.db2.gz XUXNERCRJDJEBK-OCCSQVGLSA-N 2 2 292.383 0.633 20 0 CCADLP C[N@H+](CCCCCCC[NH3+])Cc1nnc2c(=O)[nH]ccn12 ZINC000883460284 616072123 /nfs/dbraw/zinc/07/21/23/616072123.db2.gz TXHHFLYQFYCAJX-UHFFFAOYSA-N 2 2 292.387 0.759 20 0 CCADLP C[N@@H+](CCCCCCC[NH3+])Cc1nnc2c(=O)[nH]ccn12 ZINC000883460284 616072124 /nfs/dbraw/zinc/07/21/24/616072124.db2.gz TXHHFLYQFYCAJX-UHFFFAOYSA-N 2 2 292.387 0.759 20 0 CCADLP C[N@H+](CCC[NH+]1CCCC1)[C@@H]1CCC(=O)NC1=O ZINC000799175428 616074443 /nfs/dbraw/zinc/07/44/43/616074443.db2.gz YJESRCZTCSWAMP-LLVKDONJSA-N 2 2 253.346 0.209 20 0 CCADLP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1CCC(=O)NC1=O ZINC000799175428 616074444 /nfs/dbraw/zinc/07/44/44/616074444.db2.gz YJESRCZTCSWAMP-LLVKDONJSA-N 2 2 253.346 0.209 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]([N@H+](C)CCF)C1 ZINC000980296344 616080368 /nfs/dbraw/zinc/08/03/68/616080368.db2.gz QTUDRQMKUGVXLL-ZDUSSCGKSA-N 2 2 282.363 0.855 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]([N@@H+](C)CCF)C1 ZINC000980296344 616080369 /nfs/dbraw/zinc/08/03/69/616080369.db2.gz QTUDRQMKUGVXLL-ZDUSSCGKSA-N 2 2 282.363 0.855 20 0 CCADLP C[NH+]1CCC(N2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)CC1 ZINC000874462612 616172549 /nfs/dbraw/zinc/17/25/49/616172549.db2.gz VNWGEOODSMDGBZ-AWEZNQCLSA-N 2 2 294.443 0.367 20 0 CCADLP C[N@@H+]1CCCC[C@H](CNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000869416711 616181721 /nfs/dbraw/zinc/18/17/21/616181721.db2.gz RRWPSMPHPIJJTR-CSPWOOARSA-N 2 2 295.427 0.723 20 0 CCADLP C[N@H+]1CCCC[C@H](CNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000869416711 616181722 /nfs/dbraw/zinc/18/17/22/616181722.db2.gz RRWPSMPHPIJJTR-CSPWOOARSA-N 2 2 295.427 0.723 20 0 CCADLP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925608951 616186061 /nfs/dbraw/zinc/18/60/61/616186061.db2.gz MNGMOGKRXSMIIQ-HNNXBMFYSA-N 3 2 280.460 0.888 20 0 CCADLP C[N@H+]1CCCN(CCC[NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925608951 616186062 /nfs/dbraw/zinc/18/60/62/616186062.db2.gz MNGMOGKRXSMIIQ-HNNXBMFYSA-N 3 2 280.460 0.888 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000880502829 616194566 /nfs/dbraw/zinc/19/45/66/616194566.db2.gz UVHPZXXRHYUSHV-HZSPNIEDSA-N 2 2 295.427 0.696 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000880502829 616194567 /nfs/dbraw/zinc/19/45/67/616194567.db2.gz UVHPZXXRHYUSHV-HZSPNIEDSA-N 2 2 295.427 0.696 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)CCn1cc[nH+]c1 ZINC000874835713 616198484 /nfs/dbraw/zinc/19/84/84/616198484.db2.gz AWJTZFJWLCUMAP-QWHCGFSZSA-N 2 2 262.357 0.968 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)CCn1cc[nH+]c1 ZINC000874835713 616198485 /nfs/dbraw/zinc/19/84/85/616198485.db2.gz AWJTZFJWLCUMAP-QWHCGFSZSA-N 2 2 262.357 0.968 20 0 CCADLP C[N@@H+]1CCC[C@@]2(CC[NH+]([C@H]3CCC(=O)NC3=O)C2)C1 ZINC000815144201 616202948 /nfs/dbraw/zinc/20/29/48/616202948.db2.gz CLEPOYCOUSUZAY-SMDDNHRTSA-N 2 2 265.357 0.209 20 0 CCADLP C[N@H+]1CCC[C@@]2(CC[NH+]([C@H]3CCC(=O)NC3=O)C2)C1 ZINC000815144201 616202949 /nfs/dbraw/zinc/20/29/49/616202949.db2.gz CLEPOYCOUSUZAY-SMDDNHRTSA-N 2 2 265.357 0.209 20 0 CCADLP C[NH+]1CCC[C@@]2(CC[N@@H+]([C@H]3CCC(=O)NC3=O)C2)C1 ZINC000815144201 616202950 /nfs/dbraw/zinc/20/29/50/616202950.db2.gz CLEPOYCOUSUZAY-SMDDNHRTSA-N 2 2 265.357 0.209 20 0 CCADLP C[NH+]1CCC[C@@]2(CC[N@H+]([C@H]3CCC(=O)NC3=O)C2)C1 ZINC000815144201 616202951 /nfs/dbraw/zinc/20/29/51/616202951.db2.gz CLEPOYCOUSUZAY-SMDDNHRTSA-N 2 2 265.357 0.209 20 0 CCADLP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)CCn1cc[nH+]c1 ZINC000874835712 616216588 /nfs/dbraw/zinc/21/65/88/616216588.db2.gz AWJTZFJWLCUMAP-OLZOCXBDSA-N 2 2 262.357 0.968 20 0 CCADLP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)CCn1cc[nH+]c1 ZINC000874835712 616216589 /nfs/dbraw/zinc/21/65/89/616216589.db2.gz AWJTZFJWLCUMAP-OLZOCXBDSA-N 2 2 262.357 0.968 20 0 CCADLP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)NCCn1cc[nH+]c1 ZINC000891558789 616216717 /nfs/dbraw/zinc/21/67/17/616216717.db2.gz VPYHKFPFCDLZIY-OLZOCXBDSA-N 2 2 277.372 0.761 20 0 CCADLP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)NCCn1cc[nH+]c1 ZINC000891558789 616216718 /nfs/dbraw/zinc/21/67/18/616216718.db2.gz VPYHKFPFCDLZIY-OLZOCXBDSA-N 2 2 277.372 0.761 20 0 CCADLP C[N@@H+]1CCN(C(=O)C2C[NH+](C3CCCCC3)C2)C[C@H]1CO ZINC000913541468 616221111 /nfs/dbraw/zinc/22/11/11/616221111.db2.gz NGWOBMWJNQOILQ-HNNXBMFYSA-N 2 2 295.427 0.386 20 0 CCADLP C[N@H+]1CCN(C(=O)C2C[NH+](C3CCCCC3)C2)C[C@H]1CO ZINC000913541468 616221112 /nfs/dbraw/zinc/22/11/12/616221112.db2.gz NGWOBMWJNQOILQ-HNNXBMFYSA-N 2 2 295.427 0.386 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1C[C@@]12CCOC2 ZINC000886307304 616223327 /nfs/dbraw/zinc/22/33/27/616223327.db2.gz OUHUGSREIAGTQK-UKRRQHHQSA-N 2 2 281.400 0.119 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1C[C@@]12CCOC2 ZINC000886307304 616223328 /nfs/dbraw/zinc/22/33/28/616223328.db2.gz OUHUGSREIAGTQK-UKRRQHHQSA-N 2 2 281.400 0.119 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CC1 ZINC000921607901 616223725 /nfs/dbraw/zinc/22/37/25/616223725.db2.gz CILJRLXMHFVHAU-RRFJBIMHSA-N 2 2 295.427 0.555 20 0 CCADLP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925606753 616232689 /nfs/dbraw/zinc/23/26/89/616232689.db2.gz QESXVEMVHDUQML-ZDUSSCGKSA-N 3 2 268.449 0.743 20 0 CCADLP C[NH+]1CCN(CCC[NH2+][C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925517128 616241290 /nfs/dbraw/zinc/24/12/90/616241290.db2.gz FRVCDEMAFHWSKE-HNNXBMFYSA-N 3 2 280.460 0.888 20 0 CCADLP CN1CCOC[C@H]1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925717384 616250251 /nfs/dbraw/zinc/25/02/51/616250251.db2.gz JKYNWEBBCKDSOZ-CHWSQXEVSA-N 2 2 253.390 0.581 20 0 CCADLP C[N@@H+]1CC[C@@H]1CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000921628882 616296467 /nfs/dbraw/zinc/29/64/67/616296467.db2.gz GZFBKVFPMCXAEM-QWHCGFSZSA-N 2 2 289.383 0.664 20 0 CCADLP C[N@H+]1CC[C@@H]1CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000921628882 616296470 /nfs/dbraw/zinc/29/64/70/616296470.db2.gz GZFBKVFPMCXAEM-QWHCGFSZSA-N 2 2 289.383 0.664 20 0 CCADLP COC(=O)[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC000933170419 616310279 /nfs/dbraw/zinc/31/02/79/616310279.db2.gz POGQPTKWGHNMEX-MGPQQGTHSA-N 2 2 286.416 0.961 20 0 CCADLP COC(=O)[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC000933170419 616310283 /nfs/dbraw/zinc/31/02/83/616310283.db2.gz POGQPTKWGHNMEX-MGPQQGTHSA-N 2 2 286.416 0.961 20 0 CCADLP COC(=O)[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC000933170419 616310286 /nfs/dbraw/zinc/31/02/86/616310286.db2.gz POGQPTKWGHNMEX-MGPQQGTHSA-N 2 2 286.416 0.961 20 0 CCADLP COC(=O)[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC000933170419 616310291 /nfs/dbraw/zinc/31/02/91/616310291.db2.gz POGQPTKWGHNMEX-MGPQQGTHSA-N 2 2 286.416 0.961 20 0 CCADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000830577633 616343606 /nfs/dbraw/zinc/34/36/06/616343606.db2.gz WEWXJZNPBDDSGX-VXGBXAGGSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000830577633 616343611 /nfs/dbraw/zinc/34/36/11/616343611.db2.gz WEWXJZNPBDDSGX-VXGBXAGGSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cnn(C3CCC3)c2)C1 ZINC000921998458 616350645 /nfs/dbraw/zinc/35/06/45/616350645.db2.gz KLHDWDJQEWTFHC-CQSZACIVSA-N 2 2 264.373 0.764 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cnn(C3CCC3)c2)C1 ZINC000921998458 616350650 /nfs/dbraw/zinc/35/06/50/616350650.db2.gz KLHDWDJQEWTFHC-CQSZACIVSA-N 2 2 264.373 0.764 20 0 CCADLP COC/C(C)=C\C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000845492014 616383922 /nfs/dbraw/zinc/38/39/22/616383922.db2.gz AFBSDFFTYYMMRX-QLKUMGTLSA-N 2 2 295.427 0.864 20 0 CCADLP COC/C(C)=C\C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000845492014 616383930 /nfs/dbraw/zinc/38/39/30/616383930.db2.gz AFBSDFFTYYMMRX-QLKUMGTLSA-N 2 2 295.427 0.864 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](C)C1 ZINC000944444869 616414832 /nfs/dbraw/zinc/41/48/32/616414832.db2.gz LZZXMQRPSLOGDC-AAEUAGOBSA-N 2 2 294.399 0.734 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](C)C1 ZINC000944444869 616414833 /nfs/dbraw/zinc/41/48/33/616414833.db2.gz LZZXMQRPSLOGDC-AAEUAGOBSA-N 2 2 294.399 0.734 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C)c1ccco1 ZINC000913868992 616426871 /nfs/dbraw/zinc/42/68/71/616426871.db2.gz APIWOIPZOLQGMN-NWDGAFQWSA-N 2 2 280.372 0.886 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CC[N@H+]1C)c1ccco1 ZINC000913868992 616426875 /nfs/dbraw/zinc/42/68/75/616426875.db2.gz APIWOIPZOLQGMN-NWDGAFQWSA-N 2 2 280.372 0.886 20 0 CCADLP COC1(OC)CC[N@H+](CCCn2cc[nH+]c2)C[C@@H]1O ZINC000931634497 616468555 /nfs/dbraw/zinc/46/85/55/616468555.db2.gz PCOMORXPKGLHIK-LBPRGKRZSA-N 2 2 269.345 0.329 20 0 CCADLP COC1(OC)CC[N@@H+](CCCn2cc[nH+]c2)C[C@@H]1O ZINC000931634497 616468557 /nfs/dbraw/zinc/46/85/57/616468557.db2.gz PCOMORXPKGLHIK-LBPRGKRZSA-N 2 2 269.345 0.329 20 0 CCADLP COC(=O)CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000906655159 616471418 /nfs/dbraw/zinc/47/14/18/616471418.db2.gz MNUMSZVHEDFLGJ-ZDUSSCGKSA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000906655159 616471420 /nfs/dbraw/zinc/47/14/20/616471420.db2.gz MNUMSZVHEDFLGJ-ZDUSSCGKSA-N 2 2 297.399 0.176 20 0 CCADLP COC1(OC)CC[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000924752108 616482695 /nfs/dbraw/zinc/48/26/95/616482695.db2.gz AOWRSSPKVGHSNS-ZDUSSCGKSA-N 2 2 272.389 0.574 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000894917074 616506915 /nfs/dbraw/zinc/50/69/15/616506915.db2.gz ZBMKYKFQSVXFBH-PWSUYJOCSA-N 2 2 263.345 0.266 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000894917074 616506920 /nfs/dbraw/zinc/50/69/20/616506920.db2.gz ZBMKYKFQSVXFBH-PWSUYJOCSA-N 2 2 263.345 0.266 20 0 CCADLP C[NH+]1C[C@]2(C)C[NH+](CCN3CCNC3=O)C[C@@]2(C)C1 ZINC000931314928 616514036 /nfs/dbraw/zinc/51/40/36/616514036.db2.gz SGIKKISCFDLAMI-ZIAGYGMSSA-N 2 2 266.389 0.285 20 0 CCADLP COCCOCCOCC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000903770684 616552630 /nfs/dbraw/zinc/55/26/30/616552630.db2.gz YGOARJQUHHFRKG-KBPBESRZSA-N 2 2 272.389 0.479 20 0 CCADLP COCCOCCOCC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000903770684 616552633 /nfs/dbraw/zinc/55/26/33/616552633.db2.gz YGOARJQUHHFRKG-KBPBESRZSA-N 2 2 272.389 0.479 20 0 CCADLP COC(=O)CC[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931293393 616552928 /nfs/dbraw/zinc/55/29/28/616552928.db2.gz ZHKXQRRQPWZKHX-UHFFFAOYSA-N 2 2 270.373 0.736 20 0 CCADLP COC(=O)CC[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931293393 616552930 /nfs/dbraw/zinc/55/29/30/616552930.db2.gz ZHKXQRRQPWZKHX-UHFFFAOYSA-N 2 2 270.373 0.736 20 0 CCADLP COCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000884210618 616672625 /nfs/dbraw/zinc/67/26/25/616672625.db2.gz FWOGCXUDZWJZGD-KGLIPLIRSA-N 2 2 299.415 0.064 20 0 CCADLP COCC(C)(C)[NH+]1CCN(C(=O)c2ncoc2C[NH3+])CC1 ZINC000884369989 616721429 /nfs/dbraw/zinc/72/14/29/616721429.db2.gz VYWAVNAGJUYAGC-UHFFFAOYSA-N 2 2 296.371 0.316 20 0 CCADLP COC[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@@H]1CCCO1 ZINC000925653192 616726640 /nfs/dbraw/zinc/72/66/40/616726640.db2.gz KBZZSZCLSWFMJR-PYIXCIEVSA-N 2 2 266.385 0.766 20 0 CCADLP CO[C@@H]1C[N@H+](C[C@@H](O)COCC(C)C)[C@@](C)(C[NH3+])C1 ZINC000923410426 616773870 /nfs/dbraw/zinc/77/38/70/616773870.db2.gz HLXZSIBBFFEOKW-HZSPNIEDSA-N 2 2 274.405 0.458 20 0 CCADLP CO[C@@H]1C[N@@H+](C[C@@H](O)COCC(C)C)[C@@](C)(C[NH3+])C1 ZINC000923410426 616773873 /nfs/dbraw/zinc/77/38/73/616773873.db2.gz HLXZSIBBFFEOKW-HZSPNIEDSA-N 2 2 274.405 0.458 20 0 CCADLP COC[C@@H](C)[NH+]1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC000949314797 616806962 /nfs/dbraw/zinc/80/69/62/616806962.db2.gz VACCNMTVLZFDFY-CYBMUJFWSA-N 2 2 280.372 0.371 20 0 CCADLP COC[C@@H](C)NC(=[NH2+])NCC[NH+]1CCSCC1 ZINC000849005855 616819508 /nfs/dbraw/zinc/81/95/08/616819508.db2.gz TVMWWBHIPBPGSM-SNVBAGLBSA-N 2 2 260.407 0.184 20 0 CCADLP C[NH2+]CCCN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000884342548 616942137 /nfs/dbraw/zinc/94/21/37/616942137.db2.gz FFIQYKVTXGHKQB-UHFFFAOYSA-N 2 2 252.362 0.995 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879564043 616967601 /nfs/dbraw/zinc/96/76/01/616967601.db2.gz GGHSPQVDAYSCHY-MCIONIFRSA-N 2 2 288.457 0.610 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879564043 616967603 /nfs/dbraw/zinc/96/76/03/616967603.db2.gz GGHSPQVDAYSCHY-MCIONIFRSA-N 2 2 288.457 0.610 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879564043 616967605 /nfs/dbraw/zinc/96/76/05/616967605.db2.gz GGHSPQVDAYSCHY-MCIONIFRSA-N 2 2 288.457 0.610 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879564043 616967607 /nfs/dbraw/zinc/96/76/07/616967607.db2.gz GGHSPQVDAYSCHY-MCIONIFRSA-N 2 2 288.457 0.610 20 0 CCADLP C[NH2+]CCOCC[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925719215 616968826 /nfs/dbraw/zinc/96/88/26/616968826.db2.gz MKLPGBMGSRQIET-GXTWGEPZSA-N 3 2 251.374 0.901 20 0 CCADLP C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000911634339 616997649 /nfs/dbraw/zinc/99/76/49/616997649.db2.gz MYEMVAAKYBLADV-CHWSQXEVSA-N 2 2 276.384 0.904 20 0 CCADLP CON(C)C(=O)CC[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000905617010 617014449 /nfs/dbraw/zinc/01/44/49/617014449.db2.gz CCKAYYQWNYVGFL-ZDUSSCGKSA-N 2 2 285.388 0.239 20 0 CCADLP CON(C)C(=O)CC[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000905617010 617014453 /nfs/dbraw/zinc/01/44/53/617014453.db2.gz CCKAYYQWNYVGFL-ZDUSSCGKSA-N 2 2 285.388 0.239 20 0 CCADLP CON(C)C(=O)CC[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000819038222 617017417 /nfs/dbraw/zinc/01/74/17/617017417.db2.gz ALIHSMIQVHMXON-GFCCVEGCSA-N 2 2 255.362 0.470 20 0 CCADLP CON(C)C(=O)CC[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000819038222 617017421 /nfs/dbraw/zinc/01/74/21/617017421.db2.gz ALIHSMIQVHMXON-GFCCVEGCSA-N 2 2 255.362 0.470 20 0 CCADLP CON(C)C(=O)CC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000819152767 617017675 /nfs/dbraw/zinc/01/76/75/617017675.db2.gz BFVIUNYFQDFGAC-ZYHUDNBSSA-N 2 2 255.362 0.469 20 0 CCADLP CON(C)C(=O)CC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000819152767 617017680 /nfs/dbraw/zinc/01/76/80/617017680.db2.gz BFVIUNYFQDFGAC-ZYHUDNBSSA-N 2 2 255.362 0.469 20 0 CCADLP COC(=O)[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000897875315 617019632 /nfs/dbraw/zinc/01/96/32/617019632.db2.gz CLHRUYCFCJXHLJ-STQMWFEESA-N 2 2 299.415 0.374 20 0 CCADLP COC(=O)[C@@H]([NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC000897875315 617019636 /nfs/dbraw/zinc/01/96/36/617019636.db2.gz CLHRUYCFCJXHLJ-STQMWFEESA-N 2 2 299.415 0.374 20 0 CCADLP CON(C)C(=O)CC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000819152765 617019769 /nfs/dbraw/zinc/01/97/69/617019769.db2.gz BFVIUNYFQDFGAC-PWSUYJOCSA-N 2 2 255.362 0.469 20 0 CCADLP CON(C)C(=O)CC[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000819152765 617019772 /nfs/dbraw/zinc/01/97/72/617019772.db2.gz BFVIUNYFQDFGAC-PWSUYJOCSA-N 2 2 255.362 0.469 20 0 CCADLP CON1CC[C@@H]([N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC000903454078 617093174 /nfs/dbraw/zinc/09/31/74/617093174.db2.gz UINMJMMCJYUWDJ-YPMHNXCESA-N 2 2 253.346 0.224 20 0 CCADLP CON1CC[C@@H]([N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC000903454078 617093176 /nfs/dbraw/zinc/09/31/76/617093176.db2.gz UINMJMMCJYUWDJ-YPMHNXCESA-N 2 2 253.346 0.224 20 0 CCADLP CON1CC[C@@H]([N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000929532295 617093271 /nfs/dbraw/zinc/09/32/71/617093271.db2.gz LATWUDRKFMOJGU-VXGBXAGGSA-N 2 2 264.329 0.682 20 0 CCADLP CON1CC[C@@H]([N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000929532295 617093273 /nfs/dbraw/zinc/09/32/73/617093273.db2.gz LATWUDRKFMOJGU-VXGBXAGGSA-N 2 2 264.329 0.682 20 0 CCADLP CON1CC[C@H]([N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000930557310 617098786 /nfs/dbraw/zinc/09/87/86/617098786.db2.gz DNXCFVXBNRVRCN-WCQYABFASA-N 2 2 253.346 0.176 20 0 CCADLP CON1CC[C@H]([N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000930557310 617098788 /nfs/dbraw/zinc/09/87/88/617098788.db2.gz DNXCFVXBNRVRCN-WCQYABFASA-N 2 2 253.346 0.176 20 0 CCADLP CON1CC[C@H]([NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)C1=O ZINC000930557310 617098790 /nfs/dbraw/zinc/09/87/90/617098790.db2.gz DNXCFVXBNRVRCN-WCQYABFASA-N 2 2 253.346 0.176 20 0 CCADLP CON1CC[C@H]([NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000930557310 617098792 /nfs/dbraw/zinc/09/87/92/617098792.db2.gz DNXCFVXBNRVRCN-WCQYABFASA-N 2 2 253.346 0.176 20 0 CCADLP CON1CC[C@H]([N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)C1=O ZINC000930578614 617098884 /nfs/dbraw/zinc/09/88/84/617098884.db2.gz WBDSAYSTQPKRKO-GXTWGEPZSA-N 2 2 267.373 0.566 20 0 CCADLP CON1CC[C@H]([N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)C1=O ZINC000930578614 617098886 /nfs/dbraw/zinc/09/88/86/617098886.db2.gz WBDSAYSTQPKRKO-GXTWGEPZSA-N 2 2 267.373 0.566 20 0 CCADLP CON1CC[C@H]([NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)C1=O ZINC000930578614 617098888 /nfs/dbraw/zinc/09/88/88/617098888.db2.gz WBDSAYSTQPKRKO-GXTWGEPZSA-N 2 2 267.373 0.566 20 0 CCADLP CON1CC[C@H]([NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)C1=O ZINC000930578614 617098891 /nfs/dbraw/zinc/09/88/91/617098891.db2.gz WBDSAYSTQPKRKO-GXTWGEPZSA-N 2 2 267.373 0.566 20 0 CCADLP COc1c(C)c[nH+]c(CNC(=O)N[C@@H](C)C[NH3+])c1C ZINC000841763755 617145714 /nfs/dbraw/zinc/14/57/14/617145714.db2.gz ANPDKJYYNZTPJR-VIFPVBQESA-N 2 2 266.345 0.853 20 0 CCADLP COc1c(C)c[nH+]c(CNC(=O)[C@]2(C)C[NH2+]CCO2)c1C ZINC000876740909 617145765 /nfs/dbraw/zinc/14/57/65/617145765.db2.gz OLESJEBWSLRKCD-HNNXBMFYSA-N 2 2 293.367 0.702 20 0 CCADLP COc1c(C)c[nH+]c(CNC(=O)[C@@H](N)C[NH+](C)C)c1C ZINC000876739029 617145801 /nfs/dbraw/zinc/14/58/01/617145801.db2.gz BMZVYACJBAWYIN-NSHDSACASA-N 2 2 280.372 0.212 20 0 CCADLP CO[C@@H](C)C[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000957411434 617153929 /nfs/dbraw/zinc/15/39/29/617153929.db2.gz AXQDUORMYXFUOK-KBPBESRZSA-N 2 2 285.432 0.752 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000884229453 617163104 /nfs/dbraw/zinc/16/31/04/617163104.db2.gz QUWSPHNAMBQABY-JTQLQIEISA-N 2 2 279.331 0.148 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000884229453 617163106 /nfs/dbraw/zinc/16/31/06/617163106.db2.gz QUWSPHNAMBQABY-JTQLQIEISA-N 2 2 279.331 0.148 20 0 CCADLP Cc1nocc1C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001022775876 622744380 /nfs/dbraw/zinc/74/43/80/622744380.db2.gz KVKCPJHQHVETKX-TXEJJXNPSA-N 2 2 289.339 0.686 20 0 CCADLP O=C(C[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001023089132 622906540 /nfs/dbraw/zinc/90/65/40/622906540.db2.gz ZUWLOPAZHFJEBR-PHIMTYICSA-N 2 2 295.412 0.371 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH2+][C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3)C2)O1 ZINC001023160923 622936063 /nfs/dbraw/zinc/93/60/63/622936063.db2.gz HLHWGZCKFPVGLK-MQYQWHSLSA-N 2 2 292.383 0.687 20 0 CCADLP CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001026928292 625663091 /nfs/dbraw/zinc/66/30/91/625663091.db2.gz GTWXNJBWYKEXBO-CHWSQXEVSA-N 2 2 276.384 0.904 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC2(CC1)OCCO2 ZINC000311133396 623644846 /nfs/dbraw/zinc/64/48/46/623644846.db2.gz JVGBYQBXFFMMMA-LBPRGKRZSA-N 2 2 258.362 0.138 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC2(CC1)OCCO2 ZINC000311133396 623644852 /nfs/dbraw/zinc/64/48/52/623644852.db2.gz JVGBYQBXFFMMMA-LBPRGKRZSA-N 2 2 258.362 0.138 20 0 CCADLP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000328480390 623886533 /nfs/dbraw/zinc/88/65/33/623886533.db2.gz KEZIXTSUZCPGSE-ZVDSWSACSA-N 3 2 292.471 0.598 20 0 CCADLP Cc1nnc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC001019772572 623906912 /nfs/dbraw/zinc/90/69/12/623906912.db2.gz KQFHOPIJZBDSQT-NEPJUHHUSA-N 2 2 293.371 0.020 20 0 CCADLP Cc1nnc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC001019772572 623906928 /nfs/dbraw/zinc/90/69/28/623906928.db2.gz KQFHOPIJZBDSQT-NEPJUHHUSA-N 2 2 293.371 0.020 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3cnsn3)C2)C1 ZINC001019772734 623907105 /nfs/dbraw/zinc/90/71/05/623907105.db2.gz PPFKZSNIYPWCSI-MNOVXSKESA-N 2 2 295.412 0.180 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3cnsn3)C2)C1 ZINC001019772734 623907111 /nfs/dbraw/zinc/90/71/11/623907111.db2.gz PPFKZSNIYPWCSI-MNOVXSKESA-N 2 2 295.412 0.180 20 0 CCADLP Cc1nonc1C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001019775924 623909980 /nfs/dbraw/zinc/90/99/80/623909980.db2.gz MYDUGKYEBSQPAN-LBPRGKRZSA-N 2 2 293.371 0.164 20 0 CCADLP C=CCNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000066245101 624496829 /nfs/dbraw/zinc/49/68/29/624496829.db2.gz SKQOEKBNBHHGSP-CYBMUJFWSA-N 2 2 267.421 0.349 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+]CCn2cccn2)C1 ZINC001020635380 624555873 /nfs/dbraw/zinc/55/58/73/624555873.db2.gz UKNXNMBNJNTHMF-HAQNSBGRSA-N 2 2 288.355 0.086 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001020819216 624606624 /nfs/dbraw/zinc/60/66/24/624606624.db2.gz TVYKFQHYJHQOBR-SRVKXCTJSA-N 2 2 278.356 0.226 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCC2)C1 ZINC001020926062 624625798 /nfs/dbraw/zinc/62/57/98/624625798.db2.gz AYMUJRNFNRALMI-JOCQHMNTSA-N 2 2 276.384 1.000 20 0 CCADLP CCC[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001020927270 624626028 /nfs/dbraw/zinc/62/60/28/624626028.db2.gz KDHIZKDWFZIJPV-XYPYZODXSA-N 2 2 250.346 0.609 20 0 CCADLP C[C@H]1CC[C@H](C[NH2+][C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)O1 ZINC001021126181 624662143 /nfs/dbraw/zinc/66/21/43/624662143.db2.gz HLHWGZCKFPVGLK-XDQVBPFNSA-N 2 2 292.383 0.687 20 0 CCADLP Cc1conc1C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001021126545 624662354 /nfs/dbraw/zinc/66/23/54/624662354.db2.gz RHMSZGUHKKTDEC-HAQNSBGRSA-N 2 2 289.339 0.617 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001021448200 624735258 /nfs/dbraw/zinc/73/52/58/624735258.db2.gz MHLSTVPYHFXZKZ-YHWZYXNKSA-N 2 2 292.383 0.365 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001021448200 624735269 /nfs/dbraw/zinc/73/52/69/624735269.db2.gz MHLSTVPYHFXZKZ-YHWZYXNKSA-N 2 2 292.383 0.365 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](C)O)C1 ZINC001022275609 624907651 /nfs/dbraw/zinc/90/76/51/624907651.db2.gz NZEAIWXHGGSTMD-RTXFEEFZSA-N 2 2 293.367 0.250 20 0 CCADLP [NH3+][C@H]1C[C@@H](CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000891710230 624911138 /nfs/dbraw/zinc/91/11/38/624911138.db2.gz YEEMMCKPNQWHMU-FRRDWIJNSA-N 2 2 289.383 0.697 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001022302220 624917775 /nfs/dbraw/zinc/91/77/75/624917775.db2.gz GEKPWWFYYPNLQH-QNWHQSFQSA-N 2 2 292.383 0.063 20 0 CCADLP C[C@@H](NC(=O)NCc1c[nH+]cn1C)[C@H]1CCC[NH2+]C1 ZINC000891981612 625016230 /nfs/dbraw/zinc/01/62/30/625016230.db2.gz MOLTZVBZSBBJNR-MNOVXSKESA-N 2 2 265.361 0.607 20 0 CCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903446654 634568773 /nfs/dbraw/zinc/56/87/73/634568773.db2.gz ZJZPJQKUJPEYFT-HUUCEWRRSA-N 2 2 294.443 0.367 20 0 CCADLP C[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)CS(C)(=O)=O ZINC000903470272 634571949 /nfs/dbraw/zinc/57/19/49/634571949.db2.gz JIIKYWSSOBYXMS-MNOVXSKESA-N 2 2 260.403 0.541 20 0 CCADLP c1ncn(CC[N@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)n1 ZINC000903505870 634585137 /nfs/dbraw/zinc/58/51/37/634585137.db2.gz KDDXUSRPRUEWJX-GASCZTMLSA-N 2 2 290.415 0.179 20 0 CCADLP c1ncn(CC[N@@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)n1 ZINC000903505870 634585147 /nfs/dbraw/zinc/58/51/47/634585147.db2.gz KDDXUSRPRUEWJX-GASCZTMLSA-N 2 2 290.415 0.179 20 0 CCADLP Cc1nc(CN2CC[NH+](C[C@H]3CCCC[NH2+]C3)CC2)no1 ZINC000903739206 634639134 /nfs/dbraw/zinc/63/91/34/634639134.db2.gz FFEMCBJISKSUGB-AWEZNQCLSA-N 2 2 293.415 0.885 20 0 CCADLP [NH3+]C[C@@]12CC[C@H]1CCC[N@@H+]2CCN1CCCC1=O ZINC000903797915 634654275 /nfs/dbraw/zinc/65/42/75/634654275.db2.gz LFPCOQCZGCDGFS-OCCSQVGLSA-N 2 2 251.374 0.812 20 0 CCADLP [NH3+]C[C@@]12CC[C@H]1CCC[N@H+]2CCN1CCCC1=O ZINC000903797915 634654280 /nfs/dbraw/zinc/65/42/80/634654280.db2.gz LFPCOQCZGCDGFS-OCCSQVGLSA-N 2 2 251.374 0.812 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903874358 634673742 /nfs/dbraw/zinc/67/37/42/634673742.db2.gz YQGOGLKTMHVTFK-MELADBBJSA-N 3 2 292.431 0.762 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903874358 634673745 /nfs/dbraw/zinc/67/37/45/634673745.db2.gz YQGOGLKTMHVTFK-MELADBBJSA-N 3 2 292.431 0.762 20 0 CCADLP C[C@@H]1CC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000903929983 634690907 /nfs/dbraw/zinc/69/09/07/634690907.db2.gz PCSDQMKCGRCWED-RDBSUJKOSA-N 3 2 292.431 0.619 20 0 CCADLP C[C@@H]1CC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C[C@@H]1C[NH3+] ZINC000903929983 634690909 /nfs/dbraw/zinc/69/09/09/634690909.db2.gz PCSDQMKCGRCWED-RDBSUJKOSA-N 3 2 292.431 0.619 20 0 CCADLP [NH3+][C@@H](CC(F)F)C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000903932918 634692452 /nfs/dbraw/zinc/69/24/52/634692452.db2.gz ICMJTBMGKCMGRI-ZJUUUORDSA-N 2 2 259.304 0.583 20 0 CCADLP [NH3+][C@@H](CC(F)F)C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000903932918 634692457 /nfs/dbraw/zinc/69/24/57/634692457.db2.gz ICMJTBMGKCMGRI-ZJUUUORDSA-N 2 2 259.304 0.583 20 0 CCADLP [NH3+]C[C@@H]([NH2+]Cc1ccc(N2CC[NH2+]CC2)o1)C1CC1 ZINC000904349902 634731641 /nfs/dbraw/zinc/73/16/41/634731641.db2.gz FQMMZPLSQFKCLX-CYBMUJFWSA-N 3 2 264.373 0.516 20 0 CCADLP Cn1nccc1[C@H]1COCC[N@@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904376406 634738942 /nfs/dbraw/zinc/73/89/42/634738942.db2.gz RHYCNZASOPQLPK-NTZNESFSSA-N 2 2 250.346 0.531 20 0 CCADLP Cn1nccc1[C@H]1COCC[N@H+]1C[C@H]1C[C@@H]([NH3+])C1 ZINC000904376406 634738953 /nfs/dbraw/zinc/73/89/53/634738953.db2.gz RHYCNZASOPQLPK-NTZNESFSSA-N 2 2 250.346 0.531 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000905002338 634775800 /nfs/dbraw/zinc/77/58/00/634775800.db2.gz GWTFTYPUFRSJEB-GMTAPVOTSA-N 2 2 251.334 0.179 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)CCC1(O)CCC1 ZINC000905045325 634783622 /nfs/dbraw/zinc/78/36/22/634783622.db2.gz IBCPXTPBJQBXMU-OLZOCXBDSA-N 2 2 267.373 0.917 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)CC1(O)CCCC1 ZINC000905044566 634783734 /nfs/dbraw/zinc/78/37/34/634783734.db2.gz FBKNQMCCXRGWDH-CHWSQXEVSA-N 2 2 267.373 0.917 20 0 CCADLP C[C@](O)(C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(F)F ZINC000905074993 634797151 /nfs/dbraw/zinc/79/71/51/634797151.db2.gz HUXCHWZYSFAUJN-FOGDFJRCSA-N 2 2 264.316 0.455 20 0 CCADLP C[C@](O)(C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(F)F ZINC000905074993 634797154 /nfs/dbraw/zinc/79/71/54/634797154.db2.gz HUXCHWZYSFAUJN-FOGDFJRCSA-N 2 2 264.316 0.455 20 0 CCADLP O[C@@H](C[NH2+]CCCNc1cccc[nH+]1)C1(O)CCOCC1 ZINC000905129231 634804718 /nfs/dbraw/zinc/80/47/18/634804718.db2.gz XZWJIGFMXIXBMH-ZDUSSCGKSA-N 2 2 295.383 0.376 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NCCn2cc[nH+]c2)CC[N@@H+]1C ZINC000905150308 634810241 /nfs/dbraw/zinc/81/02/41/634810241.db2.gz WTAZSNPHZFCCOH-MNOVXSKESA-N 2 2 251.334 0.275 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NCCn2cc[nH+]c2)CC[N@H+]1C ZINC000905150308 634810243 /nfs/dbraw/zinc/81/02/43/634810243.db2.gz WTAZSNPHZFCCOH-MNOVXSKESA-N 2 2 251.334 0.275 20 0 CCADLP C[C@H](O)C[N@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001027652941 630836046 /nfs/dbraw/zinc/83/60/46/630836046.db2.gz WJOSQQVFDJHGKN-QWHCGFSZSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@H](O)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001027652941 630836052 /nfs/dbraw/zinc/83/60/52/630836052.db2.gz WJOSQQVFDJHGKN-QWHCGFSZSA-N 2 2 294.399 0.266 20 0 CCADLP Cc1oncc1C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001010382666 631369802 /nfs/dbraw/zinc/36/98/02/631369802.db2.gz MJVQTESIYFRLTG-ZIAGYGMSSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1oncc1C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001010382666 631369810 /nfs/dbraw/zinc/36/98/10/631369810.db2.gz MJVQTESIYFRLTG-ZIAGYGMSSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1oncc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010382666 631369818 /nfs/dbraw/zinc/36/98/18/631369818.db2.gz MJVQTESIYFRLTG-ZIAGYGMSSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1oncc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010382666 631369825 /nfs/dbraw/zinc/36/98/25/631369825.db2.gz MJVQTESIYFRLTG-ZIAGYGMSSA-N 2 2 292.383 0.768 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925849548 631398079 /nfs/dbraw/zinc/39/80/79/631398079.db2.gz PNOXEQKDJPQVPZ-JHJVBQTASA-N 3 2 281.400 0.259 20 0 CCADLP Cc1cnc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)o1 ZINC000967924413 650005681 /nfs/dbraw/zinc/00/56/81/650005681.db2.gz HRQKJHVMGRNXRR-OLZOCXBDSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1cnc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)o1 ZINC000967924413 650005683 /nfs/dbraw/zinc/00/56/83/650005683.db2.gz HRQKJHVMGRNXRR-OLZOCXBDSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1cc(N)nc(N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)[nH+]1 ZINC000894232051 631614718 /nfs/dbraw/zinc/61/47/18/631614718.db2.gz BEVJHGXXJVAQRQ-GHMZBOCLSA-N 2 2 265.361 0.259 20 0 CCADLP Cc1cc(N)nc(N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)[nH+]1 ZINC000894232051 631614723 /nfs/dbraw/zinc/61/47/23/631614723.db2.gz BEVJHGXXJVAQRQ-GHMZBOCLSA-N 2 2 265.361 0.259 20 0 CCADLP Cc1ccnc(N)c1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000894242582 631623571 /nfs/dbraw/zinc/62/35/71/631623571.db2.gz PIMJYCBAXXWDOZ-OLZOCXBDSA-N 2 2 276.384 0.925 20 0 CCADLP Cc1ccnc(N)c1C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000894242582 631623575 /nfs/dbraw/zinc/62/35/75/631623575.db2.gz PIMJYCBAXXWDOZ-OLZOCXBDSA-N 2 2 276.384 0.925 20 0 CCADLP C[C@@H]1CC[N@H+](CCCO)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000968544521 650019599 /nfs/dbraw/zinc/01/95/99/650019599.db2.gz PCXHHCZIQPXVQI-TZMCWYRMSA-N 2 2 294.399 0.172 20 0 CCADLP C[C@@H]1CC[N@@H+](CCCO)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000968544521 650019602 /nfs/dbraw/zinc/01/96/02/650019602.db2.gz PCXHHCZIQPXVQI-TZMCWYRMSA-N 2 2 294.399 0.172 20 0 CCADLP Cc1nccnc1N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000261949651 631726648 /nfs/dbraw/zinc/72/66/48/631726648.db2.gz NRCKKUDUQNSLRG-AWEZNQCLSA-N 2 2 275.400 0.907 20 0 CCADLP C[C@H]1[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC[N@@H+]1C ZINC000928431223 631813198 /nfs/dbraw/zinc/81/31/98/631813198.db2.gz LYHFQYMHGFHBBC-AAEUAGOBSA-N 2 2 276.384 0.971 20 0 CCADLP C[C@H]1[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC[N@H+]1C ZINC000928431223 631813200 /nfs/dbraw/zinc/81/32/00/631813200.db2.gz LYHFQYMHGFHBBC-AAEUAGOBSA-N 2 2 276.384 0.971 20 0 CCADLP C[C@H]1CC[N@H+](CCNC(=O)NCc2c[nH+]cn2C)C1 ZINC000894912562 631881545 /nfs/dbraw/zinc/88/15/45/631881545.db2.gz GKJYRUKCRMGIML-NSHDSACASA-N 2 2 265.361 0.561 20 0 CCADLP C[C@H]1CC[N@@H+](CCNC(=O)NCc2c[nH+]cn2C)C1 ZINC000894912562 631881549 /nfs/dbraw/zinc/88/15/49/631881549.db2.gz GKJYRUKCRMGIML-NSHDSACASA-N 2 2 265.361 0.561 20 0 CCADLP C[C@@H]1CCC[N@@H+]1CCNC(=O)NCc1c[nH+]cn1C ZINC000894913174 631881694 /nfs/dbraw/zinc/88/16/94/631881694.db2.gz KRZMARONNXAQKN-LLVKDONJSA-N 2 2 265.361 0.704 20 0 CCADLP C[C@@H]1CCC[N@H+]1CCNC(=O)NCc1c[nH+]cn1C ZINC000894913174 631881696 /nfs/dbraw/zinc/88/16/96/631881696.db2.gz KRZMARONNXAQKN-LLVKDONJSA-N 2 2 265.361 0.704 20 0 CCADLP Cc1cc(NC[C@@]2(CO)COCC[NH2+]2)nc(C2CCC2)[nH+]1 ZINC000895123720 631957642 /nfs/dbraw/zinc/95/76/42/631957642.db2.gz DNTIZALQMGCHPC-OAHLLOKOSA-N 2 2 292.383 0.815 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N1CC[C@@H]([NH2+]CCO)[C@H]1C ZINC000986429321 632755067 /nfs/dbraw/zinc/75/50/67/632755067.db2.gz XXIIQXMEPZRUKZ-DGCLKSJQSA-N 2 2 293.367 0.204 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+])[NH+]1CCOCC1 ZINC000263037188 632796893 /nfs/dbraw/zinc/79/68/93/632796893.db2.gz SMICZTRPQSHUGS-UMVBOHGHSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CCF)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000987264985 632850248 /nfs/dbraw/zinc/85/02/48/632850248.db2.gz GSWYBALUABLHRG-UWVGGRQHSA-N 2 2 254.309 0.501 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCF)CN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000989076436 633145577 /nfs/dbraw/zinc/14/55/77/633145577.db2.gz NMYOUMGBLJGQOI-WDEREUQCSA-N 2 2 298.362 0.898 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+]2C(C)(C)C)C[C@H](C)[N@H+]1CCO ZINC000897904619 633254515 /nfs/dbraw/zinc/25/45/15/633254515.db2.gz FNDGJPDNIJGWCR-MJBXVCDLSA-N 2 2 297.443 0.773 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+]2C(C)(C)C)C[C@H](C)[N@@H+]1CCO ZINC000897904619 633254518 /nfs/dbraw/zinc/25/45/18/633254518.db2.gz FNDGJPDNIJGWCR-MJBXVCDLSA-N 2 2 297.443 0.773 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)C[C@H](C)[NH+]1CCO ZINC000897904619 633254522 /nfs/dbraw/zinc/25/45/22/633254522.db2.gz FNDGJPDNIJGWCR-MJBXVCDLSA-N 2 2 297.443 0.773 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)C[C@H](C)[NH+]1CCO ZINC000897904619 633254526 /nfs/dbraw/zinc/25/45/26/633254526.db2.gz FNDGJPDNIJGWCR-MJBXVCDLSA-N 2 2 297.443 0.773 20 0 CCADLP COc1nn(C)cc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000898025366 633270696 /nfs/dbraw/zinc/27/06/96/633270696.db2.gz JYQSHOJVGNFVPG-AWEZNQCLSA-N 2 2 294.399 0.772 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000905446712 634863109 /nfs/dbraw/zinc/86/31/09/634863109.db2.gz KMYAUNZVTJVWSR-HZPDHXFCSA-N 2 2 297.443 0.144 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCF)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC000989491168 633317381 /nfs/dbraw/zinc/31/73/81/633317381.db2.gz DGVCNZVVSJKULU-MWLCHTKSSA-N 2 2 254.309 0.501 20 0 CCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC([NH+]2CCCC2)C1 ZINC000898602084 633631130 /nfs/dbraw/zinc/63/11/30/633631130.db2.gz WFIQFRKXPJAVKF-LBPRGKRZSA-N 2 2 274.368 0.752 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000899248062 633771825 /nfs/dbraw/zinc/77/18/25/633771825.db2.gz LTQMIJPGVILQCG-GXTWGEPZSA-N 2 2 277.372 0.809 20 0 CCADLP OC1CC[NH+](Cc2cn(C[C@H]3CCCC[NH2+]C3)nn2)CC1 ZINC000899740258 633883082 /nfs/dbraw/zinc/88/30/82/633883082.db2.gz FJODEBZXFCLOJT-ZDUSSCGKSA-N 2 2 293.415 0.625 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCF ZINC000900692861 634071475 /nfs/dbraw/zinc/07/14/75/634071475.db2.gz KQTZBQXAOFHCCZ-UHFFFAOYSA-N 2 2 259.369 0.830 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCF ZINC000900692861 634071480 /nfs/dbraw/zinc/07/14/80/634071480.db2.gz 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C[C@@H]1C[C@@H](C)N(C(=O)c2n[nH]c3c2C[NH2+]CC3)C[C@@H]1C[NH3+] ZINC000843501044 643086459 /nfs/dbraw/zinc/08/64/59/643086459.db2.gz APHIQCULSAHUFH-MXWKQRLJSA-N 2 2 291.399 0.501 20 0 CCADLP C[C@@H](CNC(=O)CO[C@H]1CCC[NH2+]C1)Cn1cc[nH+]c1 ZINC000844176367 643171439 /nfs/dbraw/zinc/17/14/39/643171439.db2.gz RGOZJFONQBXODL-STQMWFEESA-N 2 2 280.372 0.404 20 0 CCADLP O=C(CO[C@@H]1CCC[NH2+]C1)NCc1ccn2cc[nH+]c2c1 ZINC000844186759 643176576 /nfs/dbraw/zinc/17/65/76/643176576.db2.gz TVLYPCYZZLGSEN-CYBMUJFWSA-N 2 2 288.351 0.719 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1C[NH2+]CCC1(F)F ZINC000846680210 643442742 /nfs/dbraw/zinc/44/27/42/643442742.db2.gz YJMBVEXQMYZTGD-LLVKDONJSA-N 2 2 298.337 0.875 20 0 CCADLP C[C@H]1CCCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)[C@@H]1CC[NH3+] ZINC000846693509 643449680 /nfs/dbraw/zinc/44/96/80/643449680.db2.gz IBZZPFLOPMECPM-GXFFZTMASA-N 2 2 291.399 0.645 20 0 CCADLP [NH3+]CCCCCCn1cc(CC[NH+]2CCOCC2)nn1 ZINC000849136834 643711590 /nfs/dbraw/zinc/71/15/90/643711590.db2.gz MDQCTHUOHJFVNY-UHFFFAOYSA-N 2 2 281.404 0.672 20 0 CCADLP [NH3+]CCCCCCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000851667143 643867758 /nfs/dbraw/zinc/86/77/58/643867758.db2.gz NMVYOUJTYFNGST-CQSZACIVSA-N 2 2 298.431 0.622 20 0 CCADLP O[C@@H](C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)C1CC1 ZINC000852010138 643914962 /nfs/dbraw/zinc/91/49/62/643914962.db2.gz UUCZHWAWRWCNDJ-GJZGRUSLSA-N 2 2 268.401 0.944 20 0 CCADLP O[C@@H](C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)C1CC1 ZINC000852010138 643914972 /nfs/dbraw/zinc/91/49/72/643914972.db2.gz UUCZHWAWRWCNDJ-GJZGRUSLSA-N 2 2 268.401 0.944 20 0 CCADLP [NH3+]C[C@@H]1CC(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)=NO1 ZINC000852860549 644028447 /nfs/dbraw/zinc/02/84/47/644028447.db2.gz GRZPWZVEDAVXHT-UWVGGRQHSA-N 2 2 277.328 0.219 20 0 CCADLP Cc1cc(CNC(=O)C2=NO[C@H](C[NH3+])C2)cc(C)[nH+]1 ZINC000852891923 644046211 /nfs/dbraw/zinc/04/62/11/644046211.db2.gz BVSQFIBFNKVHHZ-NSHDSACASA-N 2 2 262.313 0.418 20 0 CCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cnccn1 ZINC000856768237 644432809 /nfs/dbraw/zinc/43/28/09/644432809.db2.gz DUXIMTDQLALRIN-AWEZNQCLSA-N 2 2 291.399 0.509 20 0 CCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cnccn1 ZINC000856768237 644432812 /nfs/dbraw/zinc/43/28/12/644432812.db2.gz DUXIMTDQLALRIN-AWEZNQCLSA-N 2 2 291.399 0.509 20 0 CCADLP Cc1ccc(NC(=O)NC[C@@H]2COCC[NH2+]2)c(N(C)C)[nH+]1 ZINC000859665374 644719510 /nfs/dbraw/zinc/71/95/10/644719510.db2.gz QWIUQMJSRVRIMU-LLVKDONJSA-N 2 2 293.371 0.566 20 0 CCADLP O=C(/C=C\C[NH+]1CCOCC1)NCCC[NH+]1CCCCC1 ZINC000864587507 645242139 /nfs/dbraw/zinc/24/21/39/645242139.db2.gz MOUPRFYYMQGSEI-XQRVVYSFSA-N 2 2 295.427 0.867 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]([NH2+]CC2CC2)C1 ZINC001019722795 651001027 /nfs/dbraw/zinc/00/10/27/651001027.db2.gz ROOFYVPRKKNQDZ-ZDUSSCGKSA-N 2 2 276.384 0.953 20 0 CCADLP Cc1cc(N)nc(SCC(=O)NC2CC[NH+](C)CC2)[nH+]1 ZINC000865348461 645357001 /nfs/dbraw/zinc/35/70/01/645357001.db2.gz RHIUPWXQTFTMLL-UHFFFAOYSA-N 2 2 295.412 0.670 20 0 CCADLP C[C@H](O)[C@@H](O)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000865738795 645408746 /nfs/dbraw/zinc/40/87/46/645408746.db2.gz PXHBMPBSBAIQIV-ONGXEEELSA-N 2 2 284.322 0.735 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870864762 646029086 /nfs/dbraw/zinc/02/90/86/646029086.db2.gz LGEYBKIOAOXOLE-SDDRHHMPSA-N 2 2 250.346 0.905 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@@H](C)CO1 ZINC000870953283 646060269 /nfs/dbraw/zinc/06/02/69/646060269.db2.gz SAOMNWFEZRIPIB-XUXIUFHCSA-N 2 2 283.416 0.729 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@@H](C)CO1 ZINC000870953283 646060275 /nfs/dbraw/zinc/06/02/75/646060275.db2.gz SAOMNWFEZRIPIB-XUXIUFHCSA-N 2 2 283.416 0.729 20 0 CCADLP FC(F)[C@@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000872146497 646213433 /nfs/dbraw/zinc/21/34/33/646213433.db2.gz PFRCJGWOSJFFOZ-UWVGGRQHSA-N 2 2 262.300 0.473 20 0 CCADLP FC(F)[C@@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000872146497 646213437 /nfs/dbraw/zinc/21/34/37/646213437.db2.gz PFRCJGWOSJFFOZ-UWVGGRQHSA-N 2 2 262.300 0.473 20 0 CCADLP O=C1CC2(CCOCC2)[N@H+](CCCn2cc[nH+]c2)CCN1 ZINC000872284985 646238752 /nfs/dbraw/zinc/23/87/52/646238752.db2.gz WHDWROYAEFOOIT-UHFFFAOYSA-N 2 2 292.383 0.644 20 0 CCADLP O=C1CC2(CCOCC2)[N@@H+](CCCn2cc[nH+]c2)CCN1 ZINC000872284985 646238758 /nfs/dbraw/zinc/23/87/58/646238758.db2.gz WHDWROYAEFOOIT-UHFFFAOYSA-N 2 2 292.383 0.644 20 0 CCADLP C[C@@H](C[NH3+])Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000872774942 646321625 /nfs/dbraw/zinc/32/16/25/646321625.db2.gz OBVZKAJZJBEBPI-QWRGUYRKSA-N 2 2 265.361 0.444 20 0 CCADLP [NH3+]Cc1cn(-c2cccc(C[NH2+][C@@H]3CCC[NH2+]C3)c2)nn1 ZINC000873218503 646361001 /nfs/dbraw/zinc/36/10/01/646361001.db2.gz ICHDMOPRJDNENV-CYBMUJFWSA-N 3 2 286.383 0.568 20 0 CCADLP [NH3+]Cc1cn(-c2cccc(C[NH2+][C@@H]3CCC[C@@H]3[NH3+])c2)nn1 ZINC000873243038 646364507 /nfs/dbraw/zinc/36/45/07/646364507.db2.gz ITJKTGLAOZKNMV-LSDHHAIUSA-N 3 2 286.383 0.695 20 0 CCADLP O=C(NCCn1cc[nH+]c1)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000874433871 646464289 /nfs/dbraw/zinc/46/42/89/646464289.db2.gz UCMBGZOHMBUDGY-OAHLLOKOSA-N 2 2 299.378 0.897 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)CCC23CC(C2)C[NH2+]3)CCO1 ZINC000876747242 646655802 /nfs/dbraw/zinc/65/58/02/646655802.db2.gz YXMOVZPEHPBZNM-OPFPJEHXSA-N 2 2 281.400 0.356 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)CCC23CC(C2)C[NH2+]3)CCO1 ZINC000876747242 646655804 /nfs/dbraw/zinc/65/58/04/646655804.db2.gz YXMOVZPEHPBZNM-OPFPJEHXSA-N 2 2 281.400 0.356 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876781658 646662729 /nfs/dbraw/zinc/66/27/29/646662729.db2.gz ITFIWHFAGUIINH-FRRDWIJNSA-N 2 2 282.432 0.112 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000876843755 646680054 /nfs/dbraw/zinc/68/00/54/646680054.db2.gz UMRWXZFNAAXLNZ-CQSZACIVSA-N 2 2 262.357 0.863 20 0 CCADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877386330 646808279 /nfs/dbraw/zinc/80/82/79/646808279.db2.gz QCXJVHCJFDWCOY-GOXQEFCWSA-N 2 2 279.384 0.276 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+](CC1CC1)[C@@H](C(N)=O)C1CC1 ZINC000879486415 647063205 /nfs/dbraw/zinc/06/32/05/647063205.db2.gz MBXIACCWGZDFAM-CQSZACIVSA-N 2 2 276.384 0.939 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+](CC1CC1)[C@@H](C(N)=O)C1CC1 ZINC000879486415 647063210 /nfs/dbraw/zinc/06/32/10/647063210.db2.gz MBXIACCWGZDFAM-CQSZACIVSA-N 2 2 276.384 0.939 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000879726301 647103656 /nfs/dbraw/zinc/10/36/56/647103656.db2.gz VKGJHZYYWOCJRC-UONOGXRCSA-N 2 2 292.383 0.332 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000879726301 647103657 /nfs/dbraw/zinc/10/36/57/647103657.db2.gz VKGJHZYYWOCJRC-UONOGXRCSA-N 2 2 292.383 0.332 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000879726299 647104235 /nfs/dbraw/zinc/10/42/35/647104235.db2.gz VKGJHZYYWOCJRC-KBPBESRZSA-N 2 2 292.383 0.332 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000879726299 647104236 /nfs/dbraw/zinc/10/42/36/647104236.db2.gz VKGJHZYYWOCJRC-KBPBESRZSA-N 2 2 292.383 0.332 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC2(CC1)COCCO2)C1CC1 ZINC000880547127 647227845 /nfs/dbraw/zinc/22/78/45/647227845.db2.gz DHMRHKZZTVLISH-AWEZNQCLSA-N 2 2 284.400 0.323 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC2(CC1)COCCO2)C1CC1 ZINC000880547127 647227849 /nfs/dbraw/zinc/22/78/49/647227849.db2.gz DHMRHKZZTVLISH-AWEZNQCLSA-N 2 2 284.400 0.323 20 0 CCADLP Cc1nc(N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)nc(N)[nH+]1 ZINC000882820756 647452241 /nfs/dbraw/zinc/45/22/41/647452241.db2.gz ZKTLTLHBBBVPEW-JTQLQIEISA-N 2 2 285.355 0.872 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@H]2CCC[NH2+]2)c[nH+]1 ZINC000884024186 647614672 /nfs/dbraw/zinc/61/46/72/647614672.db2.gz JVVVSGQCQNRNGF-LLVKDONJSA-N 2 2 250.346 0.795 20 0 CCADLP C[C@H](NC(=O)[C@@H]([NH3+])CC1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000884212281 647669169 /nfs/dbraw/zinc/66/91/69/647669169.db2.gz AHYNZGJHVJOWMV-GVXVVHGQSA-N 2 2 269.389 0.339 20 0 CCADLP [NH3+][C@@H](CC1CC1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000884317492 647706673 /nfs/dbraw/zinc/70/66/73/647706673.db2.gz WGDGDYSDSFLLSE-OLZOCXBDSA-N 2 2 274.368 0.904 20 0 CCADLP c1cn(CC[NH2+][C@@H]2CCOC23CCOCC3)c[nH+]1 ZINC000924550310 648370457 /nfs/dbraw/zinc/37/04/57/648370457.db2.gz BWLBQFSGZNQXJR-GFCCVEGCSA-N 2 2 251.330 0.811 20 0 CCADLP C[C@@H](C[NH2+][C@@H](C)c1ncco1)N1CC[NH+](C)CC1 ZINC000924960670 648391917 /nfs/dbraw/zinc/39/19/17/648391917.db2.gz LKELTVYVULBLRH-RYUDHWBXSA-N 2 2 252.362 0.961 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cnn(C)n1 ZINC000924995245 648395811 /nfs/dbraw/zinc/39/58/11/648395811.db2.gz YSSRJGCUMJFPRK-NEPJUHHUSA-N 2 2 266.393 0.102 20 0 CCADLP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925641258 648450223 /nfs/dbraw/zinc/45/02/23/648450223.db2.gz LPPLCODORYUTPG-CABCVRRESA-N 3 2 280.460 0.887 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000925699861 648454842 /nfs/dbraw/zinc/45/48/42/648454842.db2.gz XVGVONRURFFDQN-WDEREUQCSA-N 2 2 262.419 0.930 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000925709828 648455807 /nfs/dbraw/zinc/45/58/07/648455807.db2.gz ADMFIOYZHOULHG-ZMLRMANQSA-N 2 2 253.346 0.700 20 0 CCADLP O=S1(=O)CCC[C@@H]1CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925765601 648459489 /nfs/dbraw/zinc/45/94/89/648459489.db2.gz LOHAOKGKXBJJOJ-VXGBXAGGSA-N 2 2 272.414 0.828 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925803166 648463541 /nfs/dbraw/zinc/46/35/41/648463541.db2.gz NAENCLIMAXHHMO-AAVRWANBSA-N 3 2 255.406 0.589 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@H]1CCCC[NH2+]1 ZINC000925849855 648466658 /nfs/dbraw/zinc/46/66/58/648466658.db2.gz QXVCWQGYUUITMS-MELADBBJSA-N 3 2 295.427 0.792 20 0 CCADLP C[C@H](C[C@H]1CCC(=O)N1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000926230821 648493742 /nfs/dbraw/zinc/49/37/42/648493742.db2.gz YDXRDXNXNOAFCT-UTUOFQBUSA-N 2 2 262.357 0.845 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928093142 648615296 /nfs/dbraw/zinc/61/52/96/648615296.db2.gz KEDJAGAVVUJGIS-CHWSQXEVSA-N 2 2 294.424 0.969 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928093142 648615298 /nfs/dbraw/zinc/61/52/98/648615298.db2.gz KEDJAGAVVUJGIS-CHWSQXEVSA-N 2 2 294.424 0.969 20 0 CCADLP Cn1[nH]c(=O)c2c1C[N@H+](CCCn1cc[nH+]c1)CC2 ZINC000931194564 648963032 /nfs/dbraw/zinc/96/30/32/648963032.db2.gz GCZZVLWMVSSTPO-UHFFFAOYSA-N 2 2 261.329 0.771 20 0 CCADLP Cn1[nH]c(=O)c2c1C[N@@H+](CCCn1cc[nH+]c1)CC2 ZINC000931194564 648963035 /nfs/dbraw/zinc/96/30/35/648963035.db2.gz GCZZVLWMVSSTPO-UHFFFAOYSA-N 2 2 261.329 0.771 20 0 CCADLP Nc1cc[nH+]c2c1C[N@H+](CC[C@@H]1CCOC1=O)CC2 ZINC000931512507 648998791 /nfs/dbraw/zinc/99/87/91/648998791.db2.gz IPMIEWSUQUUXNR-SNVBAGLBSA-N 2 2 261.325 0.975 20 0 CCADLP Nc1cc[nH+]c2c1C[N@@H+](CC[C@@H]1CCOC1=O)CC2 ZINC000931512507 648998793 /nfs/dbraw/zinc/99/87/93/648998793.db2.gz IPMIEWSUQUUXNR-SNVBAGLBSA-N 2 2 261.325 0.975 20 0 CCADLP C[C@@](O)(C[C@H](O)C[N@@H+]1CCc2[nH+]ccc(N)c2C1)C1CC1 ZINC000931516844 648999373 /nfs/dbraw/zinc/99/93/73/648999373.db2.gz PNPDUTGOBIVXQI-BLLLJJGKSA-N 2 2 291.395 0.934 20 0 CCADLP C[C@@](O)(C[C@H](O)C[N@H+]1CCc2[nH+]ccc(N)c2C1)C1CC1 ZINC000931516844 648999377 /nfs/dbraw/zinc/99/93/77/648999377.db2.gz PNPDUTGOBIVXQI-BLLLJJGKSA-N 2 2 291.395 0.934 20 0 CCADLP Nc1cc[nH+]c2c1C[N@H+](C[C@H]1CCc3ncnn31)CC2 ZINC000931516023 648999470 /nfs/dbraw/zinc/99/94/70/648999470.db2.gz GENNVVPTXZTFFP-SNVBAGLBSA-N 2 2 270.340 0.801 20 0 CCADLP Nc1cc[nH+]c2c1C[N@@H+](C[C@H]1CCc3ncnn31)CC2 ZINC000931516023 648999476 /nfs/dbraw/zinc/99/94/76/648999476.db2.gz GENNVVPTXZTFFP-SNVBAGLBSA-N 2 2 270.340 0.801 20 0 CCADLP Nc1cc[nH+]c2c1C[N@H+](C[C@@H](O)C1(O)CCCC1)CC2 ZINC000931516242 648999820 /nfs/dbraw/zinc/99/98/20/648999820.db2.gz JVGIBHLHRYYYRW-CQSZACIVSA-N 2 2 277.368 0.688 20 0 CCADLP Nc1cc[nH+]c2c1C[N@@H+](C[C@@H](O)C1(O)CCCC1)CC2 ZINC000931516242 648999821 /nfs/dbraw/zinc/99/98/21/648999821.db2.gz JVGIBHLHRYYYRW-CQSZACIVSA-N 2 2 277.368 0.688 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CCc3[nH+]ccc(N)c3C2)CCO1 ZINC000931518257 649000461 /nfs/dbraw/zinc/00/04/61/649000461.db2.gz JIRHLTQSONURSO-GFCCVEGCSA-N 2 2 276.384 0.743 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CCc3[nH+]ccc(N)c3C2)CCO1 ZINC000931518257 649000465 /nfs/dbraw/zinc/00/04/65/649000465.db2.gz JIRHLTQSONURSO-GFCCVEGCSA-N 2 2 276.384 0.743 20 0 CCADLP C[C@@H](CNC(=O)CC[NH2+]C(C)(C)C)[NH+]1CCN(C)CC1 ZINC000932722477 649087187 /nfs/dbraw/zinc/08/71/87/649087187.db2.gz AWQKRPZSPVZGNM-ZDUSSCGKSA-N 2 2 284.448 0.517 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCC([C@@H]2COC(=O)N2)CC1 ZINC000932769410 649090012 /nfs/dbraw/zinc/09/00/12/649090012.db2.gz DAGKKBKARXJTMN-ZDUSSCGKSA-N 2 2 278.356 0.783 20 0 CCADLP C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)Cn1cc[nH+]c1 ZINC000933297891 649116199 /nfs/dbraw/zinc/11/61/99/649116199.db2.gz UJNVPODTIGPWNY-ZDUSSCGKSA-N 2 2 294.399 0.746 20 0 CCADLP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1cc2c[nH+]ccc2[nH]1 ZINC000935842412 649265046 /nfs/dbraw/zinc/26/50/46/649265046.db2.gz IALNMURBHKRCPE-ZDUSSCGKSA-N 2 2 299.378 0.683 20 0 CCADLP O=C(NC[C@H]1C[N@H+]2CCN1CCC2)c1cc2c[nH+]ccc2[nH]1 ZINC000935842412 649265053 /nfs/dbraw/zinc/26/50/53/649265053.db2.gz IALNMURBHKRCPE-ZDUSSCGKSA-N 2 2 299.378 0.683 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CCF ZINC000948090963 649363073 /nfs/dbraw/zinc/36/30/73/649363073.db2.gz RCBBJVSWMYYUFW-NEPJUHHUSA-N 2 2 268.336 0.822 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CCF ZINC000948090963 649363075 /nfs/dbraw/zinc/36/30/75/649363075.db2.gz RCBBJVSWMYYUFW-NEPJUHHUSA-N 2 2 268.336 0.822 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[NH+](CC2CCC2)CC1 ZINC000950732655 649490918 /nfs/dbraw/zinc/49/09/18/649490918.db2.gz QVIPBKHOTIYLOT-UHFFFAOYSA-N 2 2 262.357 0.897 20 0 CCADLP C[C@@H](CC(=O)N1CC[NH+](CCCO)CC1)n1cc[nH+]c1 ZINC000950961662 649505034 /nfs/dbraw/zinc/50/50/34/649505034.db2.gz DUZNHHDLHRARLP-ZDUSSCGKSA-N 2 2 280.372 0.361 20 0 CCADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CN2CCOC2=S)C1 ZINC000246973322 649696801 /nfs/dbraw/zinc/69/68/01/649696801.db2.gz NTMYPSCSASJIND-NWDGAFQWSA-N 2 2 269.414 0.977 20 0 CCADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CN2CCOC2=S)C1 ZINC000246973322 649696802 /nfs/dbraw/zinc/69/68/02/649696802.db2.gz NTMYPSCSASJIND-NWDGAFQWSA-N 2 2 269.414 0.977 20 0 CCADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2CN2CCOC2=S)C1 ZINC000246973322 649696803 /nfs/dbraw/zinc/69/68/03/649696803.db2.gz NTMYPSCSASJIND-NWDGAFQWSA-N 2 2 269.414 0.977 20 0 CCADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2CN2CCOC2=S)C1 ZINC000246973322 649696804 /nfs/dbraw/zinc/69/68/04/649696804.db2.gz NTMYPSCSASJIND-NWDGAFQWSA-N 2 2 269.414 0.977 20 0 CCADLP CNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001266245570 790320331 /nfs/dbraw/zinc/32/03/31/790320331.db2.gz CJBIICWKJTYHHQ-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CNC(=O)C[N@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001266245570 790320341 /nfs/dbraw/zinc/32/03/41/790320341.db2.gz CJBIICWKJTYHHQ-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP COC[C@@H](C)[NH2+]CC1(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001167331517 790905392 /nfs/dbraw/zinc/90/53/92/790905392.db2.gz OCDBKMXARSQRTL-GFCCVEGCSA-N 2 2 294.399 0.863 20 0 CCADLP CC[C@@H](F)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001266552389 790919054 /nfs/dbraw/zinc/91/90/54/790919054.db2.gz XFELRNPDVCMPLG-MNOVXSKESA-N 2 2 268.336 0.891 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]CCOCC1CC1 ZINC001167350183 790946468 /nfs/dbraw/zinc/94/64/68/790946468.db2.gz PNKREFPFDHXJKF-UHFFFAOYSA-N 2 2 280.372 0.475 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]C[C@H]1CCOC1 ZINC001167350271 790948997 /nfs/dbraw/zinc/94/89/97/790948997.db2.gz RRGJLPAYLHIMGT-LLVKDONJSA-N 2 2 266.345 0.085 20 0 CCADLP C[C@@H](NC(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@@H](C)[NH+]1CCOCC1 ZINC000891516372 791264325 /nfs/dbraw/zinc/26/43/25/791264325.db2.gz GOBGNHNEMUSYEJ-LPWJVIDDSA-N 2 2 284.404 0.132 20 0 CCADLP C[N@H+](C1CN(Cc2cccc(N)[nH+]2)C1)[C@H]1CCOC1 ZINC001233372107 806050798 /nfs/dbraw/zinc/05/07/98/806050798.db2.gz YCBQMUXBDMYSPE-LBPRGKRZSA-N 2 2 262.357 0.569 20 0 CCADLP C[N@@H+](C1CN(Cc2cccc(N)[nH+]2)C1)[C@H]1CCOC1 ZINC001233372107 806050806 /nfs/dbraw/zinc/05/08/06/806050806.db2.gz YCBQMUXBDMYSPE-LBPRGKRZSA-N 2 2 262.357 0.569 20 0 CCADLP CCOCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001267012061 791441467 /nfs/dbraw/zinc/44/14/67/791441467.db2.gz TZXBHHGTLWEKGJ-ZDUSSCGKSA-N 2 2 280.372 0.569 20 0 CCADLP CCOCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001267012061 791441472 /nfs/dbraw/zinc/44/14/72/791441472.db2.gz TZXBHHGTLWEKGJ-ZDUSSCGKSA-N 2 2 280.372 0.569 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](C[NH2+]CCCF)C1 ZINC001267057660 791486115 /nfs/dbraw/zinc/48/61/15/791486115.db2.gz BSHRNNQFPNHDTN-LLVKDONJSA-N 2 2 268.336 0.750 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C[NH2+]CCF)C1 ZINC001267066756 791494682 /nfs/dbraw/zinc/49/46/82/791494682.db2.gz KINYKTZSWFRQME-NSHDSACASA-N 2 2 268.336 0.668 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N(C)CC[NH2+]Cc1nccn1C ZINC001267081557 791517997 /nfs/dbraw/zinc/51/79/97/791517997.db2.gz MXYLZQPBAKZNDT-UHFFFAOYSA-N 2 2 290.371 0.173 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724557702 791580522 /nfs/dbraw/zinc/58/05/22/791580522.db2.gz FRTQFVDJEFFPMK-POQQGIQPSA-N 2 2 270.373 0.147 20 0 CCADLP CC[NH+]1CCC([N@H+](C)CCNC(=O)C2CC2)CC1 ZINC001167587172 791593276 /nfs/dbraw/zinc/59/32/76/791593276.db2.gz UZVCWDHDKNOTTQ-UHFFFAOYSA-N 2 2 253.390 0.929 20 0 CCADLP CC[NH+]1CCC([N@@H+](C)CCNC(=O)C2CC2)CC1 ZINC001167587172 791593278 /nfs/dbraw/zinc/59/32/78/791593278.db2.gz UZVCWDHDKNOTTQ-UHFFFAOYSA-N 2 2 253.390 0.929 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724593525 791612570 /nfs/dbraw/zinc/61/25/70/791612570.db2.gz FRTQFVDJEFFPMK-KSTCHIGDSA-N 2 2 270.373 0.147 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH3+])C[C@@H]1COc2ccccc2O1 ZINC000386625012 791613686 /nfs/dbraw/zinc/61/36/86/791613686.db2.gz OKBPGVRCFYPJMS-WDEREUQCSA-N 2 2 252.314 0.078 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH3+])C[C@@H]1COc2ccccc2O1 ZINC000386625012 791613692 /nfs/dbraw/zinc/61/36/92/791613692.db2.gz OKBPGVRCFYPJMS-WDEREUQCSA-N 2 2 252.314 0.078 20 0 CCADLP c1[nH]c2cc[nH+]cc2c1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234986470 806330835 /nfs/dbraw/zinc/33/08/35/806330835.db2.gz KHTKPSHARAIJAR-OAHLLOKOSA-N 3 2 271.368 0.700 20 0 CCADLP Cn1nc2ccccc2c1C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235051335 806352215 /nfs/dbraw/zinc/35/22/15/806352215.db2.gz IZSMFMOMQTVTJF-MRXNPFEDSA-N 2 2 285.395 0.711 20 0 CCADLP Cn1nc2ccccc2c1C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235051335 806352225 /nfs/dbraw/zinc/35/22/25/806352225.db2.gz IZSMFMOMQTVTJF-MRXNPFEDSA-N 2 2 285.395 0.711 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)O1 ZINC001235367241 806414594 /nfs/dbraw/zinc/41/45/94/806414594.db2.gz GWCXSYXPMCJORC-SFDCQRBFSA-N 3 2 281.400 0.164 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)O1 ZINC001235367241 806414599 /nfs/dbraw/zinc/41/45/99/806414599.db2.gz GWCXSYXPMCJORC-SFDCQRBFSA-N 3 2 281.400 0.164 20 0 CCADLP [NH3+]CC[NH+]1CCC2(C[C@H](c3cncnc3)CO2)CC1 ZINC001235500870 806435905 /nfs/dbraw/zinc/43/59/05/806435905.db2.gz BNHVAAPIFBQBHY-LBPRGKRZSA-N 2 2 262.357 0.774 20 0 CCADLP [NH3+]CC[N@@H+]1C[C@@H]2COC[C@@H](CC(=O)N3CCCC3)[C@@H]2C1 ZINC001235513657 806441097 /nfs/dbraw/zinc/44/10/97/806441097.db2.gz CHPGPFXGWDCYSJ-MCIONIFRSA-N 2 2 281.400 0.152 20 0 CCADLP [NH3+]CC[N@H+]1C[C@@H]2COC[C@@H](CC(=O)N3CCCC3)[C@@H]2C1 ZINC001235513657 806441100 /nfs/dbraw/zinc/44/11/00/806441100.db2.gz CHPGPFXGWDCYSJ-MCIONIFRSA-N 2 2 281.400 0.152 20 0 CCADLP CCOC[C@@H]1C(=O)N(CC)CC12CC[NH+](C[C@H](C)[NH3+])CC2 ZINC001235632120 806478594 /nfs/dbraw/zinc/47/85/94/806478594.db2.gz JDCFBYLKMCHVNB-UONOGXRCSA-N 2 2 297.443 0.931 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1CC[C@@]2(CC(=O)N(c3ccccn3)C2)C1 ZINC001235634733 806479063 /nfs/dbraw/zinc/47/90/63/806479063.db2.gz XGSSOCRPDOEDNW-SWLSCSKDSA-N 2 2 274.368 0.858 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1CC[C@@]2(CC(=O)N(c3ccccn3)C2)C1 ZINC001235634733 806479069 /nfs/dbraw/zinc/47/90/69/806479069.db2.gz XGSSOCRPDOEDNW-SWLSCSKDSA-N 2 2 274.368 0.858 20 0 CCADLP [NH3+]CC[NH+]1CCC2(CN(c3cccnc3)C2=O)CC1 ZINC001235653862 806483112 /nfs/dbraw/zinc/48/31/12/806483112.db2.gz WFUYOXQAEYXFQJ-UHFFFAOYSA-N 2 2 260.341 0.469 20 0 CCADLP CS(=O)(=O)Nc1ccc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235990435 806522678 /nfs/dbraw/zinc/52/26/78/806522678.db2.gz MCLSFJNBQBGSRM-JSGCOSHPSA-N 2 2 295.408 0.981 20 0 CCADLP CS(=O)(=O)Nc1ccc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235990435 806522683 /nfs/dbraw/zinc/52/26/83/806522683.db2.gz MCLSFJNBQBGSRM-JSGCOSHPSA-N 2 2 295.408 0.981 20 0 CCADLP C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235979974 806522797 /nfs/dbraw/zinc/52/27/97/806522797.db2.gz PCUYAMWKKJEGCC-XMZIXOGTSA-N 2 2 289.379 0.529 20 0 CCADLP C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235979974 806522804 /nfs/dbraw/zinc/52/28/04/806522804.db2.gz PCUYAMWKKJEGCC-XMZIXOGTSA-N 2 2 289.379 0.529 20 0 CCADLP COC(=O)c1cccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])n1 ZINC001235998558 806526637 /nfs/dbraw/zinc/52/66/37/806526637.db2.gz MWUPVMVJMLJKBR-BVUQATHDSA-N 2 2 291.351 0.274 20 0 CCADLP COC(=O)c1cccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])n1 ZINC001235998558 806526641 /nfs/dbraw/zinc/52/66/41/806526641.db2.gz MWUPVMVJMLJKBR-BVUQATHDSA-N 2 2 291.351 0.274 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2C[C@@H]3COC[C@H](C2)C3(F)F)O1 ZINC001235992449 806524329 /nfs/dbraw/zinc/52/43/29/806524329.db2.gz JYPAIUBWXDLCEE-AXFHLTTASA-N 2 2 276.327 0.924 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2C[C@@H]3COC[C@H](C2)C3(F)F)O1 ZINC001235992449 806524332 /nfs/dbraw/zinc/52/43/32/806524332.db2.gz JYPAIUBWXDLCEE-AXFHLTTASA-N 2 2 276.327 0.924 20 0 CCADLP CCOC(=O)[C@]12C[N@H+](Cc3ocnc3C)C[C@H]1C[NH2+]CC2 ZINC001236038491 806532454 /nfs/dbraw/zinc/53/24/54/806532454.db2.gz LCIGOPAYGLUYLO-IUODEOHRSA-N 2 2 293.367 0.958 20 0 CCADLP CCOC(=O)[C@]12C[N@@H+](Cc3ocnc3C)C[C@H]1C[NH2+]CC2 ZINC001236038491 806532458 /nfs/dbraw/zinc/53/24/58/806532458.db2.gz LCIGOPAYGLUYLO-IUODEOHRSA-N 2 2 293.367 0.958 20 0 CCADLP Cc1noc([C@@H]2CC[N@H+](C[C@@H]3C[NH2+]C(C)(C)O3)C2)n1 ZINC001236040978 806533949 /nfs/dbraw/zinc/53/39/49/806533949.db2.gz CLPWLUPYRQJYMO-MNOVXSKESA-N 2 2 266.345 0.892 20 0 CCADLP Cc1noc([C@@H]2CC[N@@H+](C[C@@H]3C[NH2+]C(C)(C)O3)C2)n1 ZINC001236040978 806533954 /nfs/dbraw/zinc/53/39/54/806533954.db2.gz CLPWLUPYRQJYMO-MNOVXSKESA-N 2 2 266.345 0.892 20 0 CCADLP C[NH+]1CCC2(C[NH+](C[C@@H]3C[NH2+]C(C)(C)O3)C2)CC1 ZINC001236083961 806542964 /nfs/dbraw/zinc/54/29/64/806542964.db2.gz XESAMSFGDKWTKG-LBPRGKRZSA-N 3 2 253.390 0.739 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1ccc(N)[nH+]c1C ZINC001236200855 806554114 /nfs/dbraw/zinc/55/41/14/806554114.db2.gz LATIOUPCEBVQIR-MNOVXSKESA-N 2 2 264.329 0.047 20 0 CCADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(OCCO)cc1 ZINC001236245319 806557086 /nfs/dbraw/zinc/55/70/86/806557086.db2.gz MTTKKSJLFOVWFF-CYBMUJFWSA-N 2 2 250.342 0.981 20 0 CCADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(OCCO)cc1 ZINC001236245319 806557092 /nfs/dbraw/zinc/55/70/92/806557092.db2.gz MTTKKSJLFOVWFF-CYBMUJFWSA-N 2 2 250.342 0.981 20 0 CCADLP COC(=O)[C@H]1C[N@H+](CC2CCC(OC)CC2)C[C@H]1[NH3+] ZINC001236346188 806575868 /nfs/dbraw/zinc/57/58/68/806575868.db2.gz XRRONZIVOOYUSY-IFWUJCSASA-N 2 2 270.373 0.624 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](CC2CCC(OC)CC2)C[C@H]1[NH3+] ZINC001236346188 806575874 /nfs/dbraw/zinc/57/58/74/806575874.db2.gz XRRONZIVOOYUSY-IFWUJCSASA-N 2 2 270.373 0.624 20 0 CCADLP COC(=O)[C@@H]1CN(Cc2ccn3cc[nH+]c3c2)C[C@@H]1[NH3+] ZINC001236346619 806577173 /nfs/dbraw/zinc/57/71/73/806577173.db2.gz IXSASFSAERLIOR-NEPJUHHUSA-N 2 2 274.324 0.266 20 0 CCADLP [NH3+]CCS(=O)(=O)Nc1c[nH+]ccc1N1CCCC1 ZINC001237566335 806685491 /nfs/dbraw/zinc/68/54/91/806685491.db2.gz QCLDCJIKBSRQME-UHFFFAOYSA-N 2 2 270.358 0.382 20 0 CCADLP CC[C@H]1CCCN1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001120648378 798902317 /nfs/dbraw/zinc/90/23/17/798902317.db2.gz IOTNOYOQFBMBHD-ZDUSSCGKSA-N 2 2 268.405 0.994 20 0 CCADLP C[N@@H+]1CCC[C@@H](C[NH+]2C[C@H]3CCCO[C@H]3[C@@H](C(N)=O)C2)C1 ZINC001278141999 806715102 /nfs/dbraw/zinc/71/51/02/806715102.db2.gz CYQKWEORFBQJCS-APIJFGDWSA-N 2 2 295.427 0.541 20 0 CCADLP C[N@H+]1CCC[C@@H](C[NH+]2C[C@H]3CCCO[C@H]3[C@@H](C(N)=O)C2)C1 ZINC001278141999 806715106 /nfs/dbraw/zinc/71/51/06/806715106.db2.gz CYQKWEORFBQJCS-APIJFGDWSA-N 2 2 295.427 0.541 20 0 CCADLP C[NH+]1CCC[C@@H](C[N@@H+]2C[C@H]3CCCO[C@H]3[C@@H](C(N)=O)C2)C1 ZINC001278141999 806715111 /nfs/dbraw/zinc/71/51/11/806715111.db2.gz CYQKWEORFBQJCS-APIJFGDWSA-N 2 2 295.427 0.541 20 0 CCADLP C[NH+]1CCC[C@@H](C[N@H+]2C[C@H]3CCCO[C@H]3[C@@H](C(N)=O)C2)C1 ZINC001278141999 806715113 /nfs/dbraw/zinc/71/51/13/806715113.db2.gz CYQKWEORFBQJCS-APIJFGDWSA-N 2 2 295.427 0.541 20 0 CCADLP CC[C@H](C(=O)N[C@H](C)C[NH3+])[N@@H+]1CCO[C@H](CC)C1 ZINC001122015905 799122682 /nfs/dbraw/zinc/12/26/82/799122682.db2.gz UTWOGCRCERMXOK-IJLUTSLNSA-N 2 2 257.378 0.339 20 0 CCADLP CC[C@H](C(=O)N[C@H](C)C[NH3+])[N@H+]1CCO[C@H](CC)C1 ZINC001122015905 799122687 /nfs/dbraw/zinc/12/26/87/799122687.db2.gz UTWOGCRCERMXOK-IJLUTSLNSA-N 2 2 257.378 0.339 20 0 CCADLP CN(C)C(=O)C1=NO[C@@H]2C[N@H+](C[C@@H]3CCC[NH+](C)C3)C[C@H]12 ZINC001278149039 806719145 /nfs/dbraw/zinc/71/91/45/806719145.db2.gz VKXOVQPPBCSMMU-FRRDWIJNSA-N 2 2 294.399 0.103 20 0 CCADLP CN(C)C(=O)C1=NO[C@@H]2C[N@@H+](C[C@@H]3CCC[NH+](C)C3)C[C@H]12 ZINC001278149039 806719153 /nfs/dbraw/zinc/71/91/53/806719153.db2.gz VKXOVQPPBCSMMU-FRRDWIJNSA-N 2 2 294.399 0.103 20 0 CCADLP CN(C)C(=O)C1=NO[C@@H]2C[NH+](C[C@@H]3CCC[N@H+](C)C3)C[C@H]12 ZINC001278149039 806719157 /nfs/dbraw/zinc/71/91/57/806719157.db2.gz VKXOVQPPBCSMMU-FRRDWIJNSA-N 2 2 294.399 0.103 20 0 CCADLP CN(C)C(=O)C1=NO[C@@H]2C[NH+](C[C@@H]3CCC[N@@H+](C)C3)C[C@H]12 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CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC001122173275 799161213 /nfs/dbraw/zinc/16/12/13/799161213.db2.gz ILHFUKLMJGMNQZ-OLZOCXBDSA-N 2 2 267.373 0.261 20 0 CCADLP CC1(C(=O)NCC[NH+]2CCC([NH3+])CC2)CC=CC1 ZINC001122239864 799176957 /nfs/dbraw/zinc/17/69/57/799176957.db2.gz PVKFIBSVDKDJAI-UHFFFAOYSA-N 2 2 251.374 0.882 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]([NH3+])C(C)C ZINC001122254637 799180376 /nfs/dbraw/zinc/18/03/76/799180376.db2.gz PSCHARHDPQRJEO-NWDGAFQWSA-N 2 2 257.378 0.197 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C1=CC[C@H]([NH3+])C1 ZINC001122615524 799273954 /nfs/dbraw/zinc/27/39/54/799273954.db2.gz QGQUHPJHSRPWJS-YPMHNXCESA-N 2 2 267.373 0.213 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](CO)[NH2+]CC1=CCCCC1 ZINC001278165185 806736983 /nfs/dbraw/zinc/73/69/83/806736983.db2.gz UQETWUWPEZRWGF-CQSZACIVSA-N 2 2 292.383 0.519 20 0 CCADLP C[NH+]1CCN(C2CC[NH+](Cc3ccnnc3)CC2)CC1 ZINC001139982995 799862443 /nfs/dbraw/zinc/86/24/43/799862443.db2.gz JWSMEPDNKUAOCM-UHFFFAOYSA-N 2 2 275.400 0.688 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+]CCO)C12CCC2 ZINC001203015032 799889385 /nfs/dbraw/zinc/88/93/85/799889385.db2.gz UBLRUYFSVZBSCR-OLZOCXBDSA-N 2 2 292.383 0.352 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@@H]([NH2+]CCO)C12CCC2 ZINC001203015032 799889393 /nfs/dbraw/zinc/88/93/93/799889393.db2.gz UBLRUYFSVZBSCR-OLZOCXBDSA-N 2 2 292.383 0.352 20 0 CCADLP Cc1c(Cl)cccc1S(=O)(=O)NCC[NH2+]CC[NH3+] ZINC001238839957 806813123 /nfs/dbraw/zinc/81/31/23/806813123.db2.gz XLINTAXVEKQCJS-UHFFFAOYSA-N 2 2 291.804 0.475 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]C[C@H]1CCCOC1 ZINC001149559374 800276523 /nfs/dbraw/zinc/27/65/23/800276523.db2.gz RCBQOJVBPHUHCF-CYBMUJFWSA-N 2 2 294.399 0.485 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]C[C@H]1CCCCO1 ZINC001149571039 800276679 /nfs/dbraw/zinc/27/66/79/800276679.db2.gz MJOLGDPNINQOEU-CQSZACIVSA-N 2 2 294.399 0.628 20 0 CCADLP CCC[N@@H+]1CCCO[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001149827990 800301417 /nfs/dbraw/zinc/30/14/17/800301417.db2.gz QCIBKTWZMLAPSN-CQSZACIVSA-N 2 2 294.399 0.959 20 0 CCADLP CCC[N@H+]1CCCO[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001149827990 800301422 /nfs/dbraw/zinc/30/14/22/800301422.db2.gz QCIBKTWZMLAPSN-CQSZACIVSA-N 2 2 294.399 0.959 20 0 CCADLP CCC[N@@H+]1CCCO[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001149827990 800301428 /nfs/dbraw/zinc/30/14/28/800301428.db2.gz QCIBKTWZMLAPSN-CQSZACIVSA-N 2 2 294.399 0.959 20 0 CCADLP CCC[N@H+]1CCCO[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001149827990 800301433 /nfs/dbraw/zinc/30/14/33/800301433.db2.gz QCIBKTWZMLAPSN-CQSZACIVSA-N 2 2 294.399 0.959 20 0 CCADLP CC(C)C[N@@H+]1CCCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150380353 800334601 /nfs/dbraw/zinc/33/46/01/800334601.db2.gz SJQDTZGWNUMJJX-CQSZACIVSA-N 2 2 294.399 0.815 20 0 CCADLP CC(C)C[N@H+]1CCCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150380353 800334607 /nfs/dbraw/zinc/33/46/07/800334607.db2.gz SJQDTZGWNUMJJX-CQSZACIVSA-N 2 2 294.399 0.815 20 0 CCADLP CCC[N@@H+]1CCCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150496075 800340760 /nfs/dbraw/zinc/34/07/60/800340760.db2.gz AWVHSEQQWOYDCZ-GFCCVEGCSA-N 2 2 280.372 0.569 20 0 CCADLP CCC[N@H+]1CCCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150496075 800340766 /nfs/dbraw/zinc/34/07/66/800340766.db2.gz AWVHSEQQWOYDCZ-GFCCVEGCSA-N 2 2 280.372 0.569 20 0 CCADLP CCC[N@@H+]1CCCO[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001150597880 800351080 /nfs/dbraw/zinc/35/10/80/800351080.db2.gz WOYKGXUCAZHWRN-CQSZACIVSA-N 2 2 294.399 0.580 20 0 CCADLP CCC[N@H+]1CCCO[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001150597880 800351082 /nfs/dbraw/zinc/35/10/82/800351082.db2.gz WOYKGXUCAZHWRN-CQSZACIVSA-N 2 2 294.399 0.580 20 0 CCADLP CC(C)c1noc(C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001151049693 800390165 /nfs/dbraw/zinc/39/01/65/800390165.db2.gz WGIKTEIGTZVASV-NSHDSACASA-N 2 2 295.387 0.351 20 0 CCADLP CC(C)c1noc(C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001151049693 800390173 /nfs/dbraw/zinc/39/01/73/800390173.db2.gz WGIKTEIGTZVASV-NSHDSACASA-N 2 2 295.387 0.351 20 0 CCADLP Cc1cc(C[NH2+]CCNC(=O)C[NH+]2CCCC2)no1 ZINC001151114288 800400465 /nfs/dbraw/zinc/40/04/65/800400465.db2.gz JCQMNPWZYQJGGR-UHFFFAOYSA-N 2 2 266.345 0.285 20 0 CCADLP CC[N@H+](C[C@@H](C)O)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153114460 800597535 /nfs/dbraw/zinc/59/75/35/800597535.db2.gz DSPZRQGXYZJFLI-VXGBXAGGSA-N 2 2 282.388 0.550 20 0 CCADLP CC[N@@H+](C[C@@H](C)O)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153114460 800597539 /nfs/dbraw/zinc/59/75/39/800597539.db2.gz DSPZRQGXYZJFLI-VXGBXAGGSA-N 2 2 282.388 0.550 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]C[C@@H](O)C1CCCCC1 ZINC001153495193 800635828 /nfs/dbraw/zinc/63/58/28/800635828.db2.gz FTJAKJLTXGMMET-CQSZACIVSA-N 2 2 294.399 0.530 20 0 CCADLP CC[N@H+](CCCO)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001153895163 800688601 /nfs/dbraw/zinc/68/86/01/800688601.db2.gz UBKDSCSEEGHXBF-JHJVBQTASA-N 2 2 294.399 0.722 20 0 CCADLP CC[N@@H+](CCCO)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001153895163 800688606 /nfs/dbraw/zinc/68/86/06/800688606.db2.gz UBKDSCSEEGHXBF-JHJVBQTASA-N 2 2 294.399 0.722 20 0 CCADLP CC[N@H+](CCCO)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001153895163 800688612 /nfs/dbraw/zinc/68/86/12/800688612.db2.gz UBKDSCSEEGHXBF-JHJVBQTASA-N 2 2 294.399 0.722 20 0 CCADLP CC[N@@H+](CCCO)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001153895163 800688617 /nfs/dbraw/zinc/68/86/17/800688617.db2.gz UBKDSCSEEGHXBF-JHJVBQTASA-N 2 2 294.399 0.722 20 0 CCADLP COC(=O)CCN(CCC[NH+](C)C)Cc1c[nH+]cn1C ZINC001204383749 800878033 /nfs/dbraw/zinc/87/80/33/800878033.db2.gz KLHTUXLOEHVNFT-UHFFFAOYSA-N 2 2 282.388 0.737 20 0 CCADLP COC(=O)c1cc(-n2c[nH+]cc2C2CC[NH2+]CC2)ncn1 ZINC001155058011 800901473 /nfs/dbraw/zinc/90/14/73/800901473.db2.gz QUZGVYBZJHFQNX-UHFFFAOYSA-N 2 2 287.323 0.916 20 0 CCADLP CCN(C)c1cc(C)[nH+]c(NC[C@@H]2C[N@H+](C)CCO2)n1 ZINC001155193034 800928238 /nfs/dbraw/zinc/92/82/38/800928238.db2.gz CXZRYIFCQNOSEV-GFCCVEGCSA-N 2 2 279.388 0.984 20 0 CCADLP CCN(C)c1cc(C)[nH+]c(NC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001155193034 800928242 /nfs/dbraw/zinc/92/82/42/800928242.db2.gz CXZRYIFCQNOSEV-GFCCVEGCSA-N 2 2 279.388 0.984 20 0 CCADLP CC[N@H+](CCCO)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001156683011 801210885 /nfs/dbraw/zinc/21/08/85/801210885.db2.gz UJZIUULXOWMROX-CYBMUJFWSA-N 2 2 296.415 0.562 20 0 CCADLP CC[N@@H+](CCCO)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001156683011 801210891 /nfs/dbraw/zinc/21/08/91/801210891.db2.gz UJZIUULXOWMROX-CYBMUJFWSA-N 2 2 296.415 0.562 20 0 CCADLP Cn1cncc1C[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157256968 801333899 /nfs/dbraw/zinc/33/38/99/801333899.db2.gz MUOPCSGSBHZZDO-UHFFFAOYSA-N 2 2 290.371 0.372 20 0 CCADLP Cc1ncc(C[NH2+]CCCNC(=O)CCc2[nH]cc[nH+]2)o1 ZINC001157264788 801336286 /nfs/dbraw/zinc/33/62/86/801336286.db2.gz KGZYHPXTSRWKFA-UHFFFAOYSA-N 2 2 291.355 0.935 20 0 CCADLP CCN(CCn1cc[nH+]c1)c1ncc2c(n1)CC[NH2+]C2 ZINC001157459620 801389126 /nfs/dbraw/zinc/38/91/26/801389126.db2.gz DLKHZOCCBMCRKB-UHFFFAOYSA-N 2 2 272.356 0.845 20 0 CCADLP [NH3+][C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)C[C@H]1F ZINC001157532566 801408475 /nfs/dbraw/zinc/40/84/75/801408475.db2.gz VZISFMIKZLIWJU-MNOVXSKESA-N 2 2 283.372 0.614 20 0 CCADLP [NH3+][C@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)C[C@H]1F ZINC001157532566 801408479 /nfs/dbraw/zinc/40/84/79/801408479.db2.gz VZISFMIKZLIWJU-MNOVXSKESA-N 2 2 283.372 0.614 20 0 CCADLP CCC1(Nc2cc(N3CCOCC3)[nH+]cn2)C[NH2+]C1 ZINC001157777438 801482671 /nfs/dbraw/zinc/48/26/71/801482671.db2.gz MMYQANIYZIFEKF-UHFFFAOYSA-N 2 2 263.345 0.477 20 0 CCADLP C[C@@H]1CCCCN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001157780769 801482710 /nfs/dbraw/zinc/48/27/10/801482710.db2.gz JJWORPSAUKMNAJ-ZYHUDNBSSA-N 2 2 250.346 0.928 20 0 CCADLP C[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CC(F)(F)C2)C[C@@H]1[NH3+] ZINC001157800243 801489037 /nfs/dbraw/zinc/48/90/37/801489037.db2.gz ZQYVEYUSZAQIDN-BBBLOLIVSA-N 2 2 261.316 0.427 20 0 CCADLP CN(Cc1cnc(Cl)s1)C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001157853796 801501929 /nfs/dbraw/zinc/50/19/29/801501929.db2.gz OSLDRSFOPKVTBR-SVRRBLITSA-N 2 2 274.777 0.444 20 0 CCADLP C[C@H]1C[C@@H](CF)N(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C1 ZINC001157877663 801509467 /nfs/dbraw/zinc/50/94/67/801509467.db2.gz MRAVDQPSLCIKSM-NHCYSSNCSA-N 2 2 268.336 0.496 20 0 CCADLP COc1cncnc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001157914403 801518223 /nfs/dbraw/zinc/51/82/23/801518223.db2.gz FSZPALQOZLJQGK-UHFFFAOYSA-N 2 2 250.306 0.079 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cc3c(nn2)CCC3)CC1 ZINC001157916306 801519971 /nfs/dbraw/zinc/51/99/71/801519971.db2.gz SGRZZAVZLXBTIU-UHFFFAOYSA-N 2 2 260.345 0.559 20 0 CCADLP CCOc1nccnc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001157915679 801521002 /nfs/dbraw/zinc/52/10/02/801521002.db2.gz FBJMQZQTJSFMQM-UHFFFAOYSA-N 2 2 264.333 0.469 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2nnc3ccccc3n2)CC1 ZINC001157916423 801521338 /nfs/dbraw/zinc/52/13/38/801521338.db2.gz YBESXYNGXAYSEL-UHFFFAOYSA-N 2 2 271.328 0.619 20 0 CCADLP C[C@]1(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)COCC[NH2+]1 ZINC001157970559 801544092 /nfs/dbraw/zinc/54/40/92/801544092.db2.gz QXGYPBQCGXDTMI-GOEBONIOSA-N 2 2 289.379 0.538 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncc(F)cc1Cl ZINC001158203501 801591510 /nfs/dbraw/zinc/59/15/10/801591510.db2.gz AZQPWAHXMVPVHE-MRVPVSSYSA-N 2 2 270.695 0.922 20 0 CCADLP Cc1nc(Cl)cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158203454 801591856 /nfs/dbraw/zinc/59/18/56/801591856.db2.gz NLDNZSKAWFNPGJ-MRVPVSSYSA-N 2 2 267.720 0.486 20 0 CCADLP Cc1cc2c(ncnc2-n2c[nH+]cc2C[C@@H]([NH3+])CO)[nH]1 ZINC001158204592 801592497 /nfs/dbraw/zinc/59/24/97/801592497.db2.gz RHLBUAAQVOEUNQ-SECBINFHSA-N 2 2 272.312 0.314 20 0 CCADLP Cc1cccc2c1ncnc2-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158204554 801593083 /nfs/dbraw/zinc/59/30/83/801593083.db2.gz QSBFDMAWQGDFHF-LLVKDONJSA-N 2 2 283.335 0.986 20 0 CCADLP CCc1cc(Cl)nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158209269 801595816 /nfs/dbraw/zinc/59/58/16/801595816.db2.gz OFCMPGMVMFBQOX-MRVPVSSYSA-N 2 2 281.747 0.740 20 0 CCADLP C[N@@H+]1CCCn2nc(C(=O)N3CC[C@@H]4[NH2+]CC[C@H]43)cc2C1 ZINC001158235986 801600875 /nfs/dbraw/zinc/60/08/75/801600875.db2.gz VEKCYZSPTPKSAV-GXTWGEPZSA-N 2 2 289.383 0.295 20 0 CCADLP C[N@H+]1CCCn2nc(C(=O)N3CC[C@@H]4[NH2+]CC[C@H]43)cc2C1 ZINC001158235986 801600880 /nfs/dbraw/zinc/60/08/80/801600880.db2.gz VEKCYZSPTPKSAV-GXTWGEPZSA-N 2 2 289.383 0.295 20 0 CCADLP C[C@@H]1C[N@H+](C2CN(c3cc(N)cc[nH+]3)C2)C[C@H](C)O1 ZINC001158715197 801692983 /nfs/dbraw/zinc/69/29/83/801692983.db2.gz BSQWPNJOFUICDP-PHIMTYICSA-N 2 2 262.357 0.962 20 0 CCADLP C[C@@H]1C[N@@H+](C2CN(c3cc(N)cc[nH+]3)C2)C[C@H](C)O1 ZINC001158715197 801692986 /nfs/dbraw/zinc/69/29/86/801692986.db2.gz BSQWPNJOFUICDP-PHIMTYICSA-N 2 2 262.357 0.962 20 0 CCADLP CCN(CC)c1cc(N2C[C@@H]([NH3+])C3(COC3)C2)nc[nH+]1 ZINC001158766228 801703640 /nfs/dbraw/zinc/70/36/40/801703640.db2.gz VUHGBAVXMXRQAV-LLVKDONJSA-N 2 2 277.372 0.487 20 0 CCADLP COc1cc(C)c[nH+]c1NCCOCCOCC[NH3+] ZINC001159445439 801808857 /nfs/dbraw/zinc/80/88/57/801808857.db2.gz LOVHLZREVZLBOC-UHFFFAOYSA-N 2 2 269.345 0.802 20 0 CCADLP Cc1nc(N(C)C)nc(N[C@H](C)[C@H]2C[NH2+]CCO2)[nH+]1 ZINC001159496447 801822991 /nfs/dbraw/zinc/82/29/91/801822991.db2.gz DEYPWOHNYGMNDH-PSASIEDQSA-N 2 2 266.349 0.035 20 0 CCADLP C[C@H](Nc1ccc(Cn2cncn2)c[nH+]1)[C@H]1C[NH2+]CCO1 ZINC001159501804 801826095 /nfs/dbraw/zinc/82/60/95/801826095.db2.gz JWFLAMYWCVFXSX-WCQYABFASA-N 2 2 288.355 0.510 20 0 CCADLP Cc1nc(-n2cncn2)cc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)[nH+]1 ZINC001159503124 801828635 /nfs/dbraw/zinc/82/86/35/801828635.db2.gz TYPPULOWNLHHEX-ONGXEEELSA-N 2 2 289.343 0.155 20 0 CCADLP CC(C)N(CC1CC1)C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160482870 801948801 /nfs/dbraw/zinc/94/88/01/801948801.db2.gz BOLXHYZVQQLKOA-JSGCOSHPSA-N 2 2 251.374 0.585 20 0 CCADLP [NH3+]C1(C(=O)N2CC(Oc3ccccc3)C2)CC[NH2+]CC1 ZINC001160497816 801950299 /nfs/dbraw/zinc/95/02/99/801950299.db2.gz AQWVCWUBERZYTR-UHFFFAOYSA-N 2 2 275.352 0.357 20 0 CCADLP CN(CC1(C)COC1)C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001160549271 801968327 /nfs/dbraw/zinc/96/83/27/801968327.db2.gz OOYKFHNWBHYLOY-ZDUSSCGKSA-N 2 2 277.368 0.754 20 0 CCADLP COC(=O)c1cccc2c1CN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C2 ZINC001160565889 801971699 /nfs/dbraw/zinc/97/16/99/801971699.db2.gz XLOJALNLNJKRSO-MFKMUULPSA-N 2 2 289.335 0.005 20 0 CCADLP [NH3+]C1(C(=O)N2CCC(c3ncccn3)CC2)CC[NH2+]CC1 ZINC001160588712 801977276 /nfs/dbraw/zinc/97/72/76/801977276.db2.gz FQEMBKKLCKSHAB-UHFFFAOYSA-N 2 2 289.383 0.264 20 0 CCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)Nc1cc(N)cc[nH+]1 ZINC001160691580 802004147 /nfs/dbraw/zinc/00/41/47/802004147.db2.gz TTZJHXYLONHJIF-NSHDSACASA-N 2 2 275.312 0.594 20 0 CCADLP CN(C[C@@H]1CC1(C)C)C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001160709276 802008393 /nfs/dbraw/zinc/00/83/93/802008393.db2.gz DYQVYJYFMJDSBD-ONGXEEELSA-N 2 2 250.346 0.784 20 0 CCADLP CN(Cc1ccc(F)cc1F)C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160876359 802039540 /nfs/dbraw/zinc/03/95/40/802039540.db2.gz WFVJMAWCVMQALH-NHYWBVRUSA-N 2 2 295.333 0.875 20 0 CCADLP CCN(CCC(=O)OC)C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001161132605 802098189 /nfs/dbraw/zinc/09/81/89/802098189.db2.gz PWRPTTFWRFBMHZ-ZDUSSCGKSA-N 2 2 293.367 0.670 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)[C@@H]2CCC[N@H+]2C2CC2)c1 ZINC001161166930 802104732 /nfs/dbraw/zinc/10/47/32/802104732.db2.gz LCIDPNHLGGKDLI-ZDUSSCGKSA-N 2 2 262.357 0.706 20 0 CCADLP COc1cc(N2CCN(C(=O)[C@@H](C)C[NH3+])CC2)cc[nH+]1 ZINC001161306416 802122490 /nfs/dbraw/zinc/12/24/90/802122490.db2.gz KYRGIVLMPKEDKJ-NSHDSACASA-N 2 2 278.356 0.334 20 0 CCADLP COCC[NH2+]CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001161314705 802123173 /nfs/dbraw/zinc/12/31/73/802123173.db2.gz HQKQXVBQBHEHKN-GFCCVEGCSA-N 2 2 280.372 0.188 20 0 CCADLP O=C(NCCC[NH2+]CCCF)[C@H]1CCc2c[nH+]cn2C1 ZINC001161315219 802123835 /nfs/dbraw/zinc/12/38/35/802123835.db2.gz ONQYZOSJRJMYGK-LBPRGKRZSA-N 2 2 282.363 0.901 20 0 CCADLP CCN(C(=O)[C@@H]1C[NH2+]CC(F)(F)C1)[C@H]1CCC[NH2+]C1 ZINC001161329885 802128105 /nfs/dbraw/zinc/12/81/05/802128105.db2.gz DIBHZLDQJFJVFW-QWRGUYRKSA-N 2 2 275.343 0.832 20 0 CCADLP [NH3+]C1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3C[C@@H](F)CC[NH2+]3)C2)CC1 ZINC001161377072 802141129 /nfs/dbraw/zinc/14/11/29/802141129.db2.gz FCYWXYLINHIRHA-YUTCNCBUSA-N 3 2 298.406 0.101 20 0 CCADLP NC[C@H]([NH3+])c1ccc(C(=O)N2CC[N@@H+]3CC[C@H]3C2)cc1 ZINC001161424116 802152197 /nfs/dbraw/zinc/15/21/97/802152197.db2.gz ZDQKWPNGCWFPKL-KBPBESRZSA-N 2 2 274.368 0.175 20 0 CCADLP NC[C@H]([NH3+])c1ccc(C(=O)N2CC[N@H+]3CC[C@H]3C2)cc1 ZINC001161424116 802152203 /nfs/dbraw/zinc/15/22/03/802152203.db2.gz ZDQKWPNGCWFPKL-KBPBESRZSA-N 2 2 274.368 0.175 20 0 CCADLP C[NH+]1CC2(CN(C(=O)[C@@H]([NH3+])c3ccsc3)C2)C1 ZINC001161532213 802172656 /nfs/dbraw/zinc/17/26/56/802172656.db2.gz PIYPZCMWPLGVIL-JTQLQIEISA-N 2 2 251.355 0.522 20 0 CCADLP CS(=O)(=O)N(CC[NH3+])c1ccc(Cn2cc[nH+]c2)cc1 ZINC001162129039 802280627 /nfs/dbraw/zinc/28/06/27/802280627.db2.gz QLISLYIIGLWMER-UHFFFAOYSA-N 2 2 294.380 0.656 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)NCc1ccc[nH+]c1N ZINC001254623815 808266985 /nfs/dbraw/zinc/26/69/85/808266985.db2.gz JEKXEFKKKZUQHV-NSHDSACASA-N 2 2 263.345 0.557 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)NCc1ccc[nH+]c1N ZINC001254623815 808266992 /nfs/dbraw/zinc/26/69/92/808266992.db2.gz JEKXEFKKKZUQHV-NSHDSACASA-N 2 2 263.345 0.557 20 0 CCADLP COC(=O)c1c[nH+]ccc1NC[C@@H]1C[N@H+](C)CCO1 ZINC001162690559 802398298 /nfs/dbraw/zinc/39/82/98/802398298.db2.gz XUWSIHRADJUFFL-SNVBAGLBSA-N 2 2 265.313 0.033 20 0 CCADLP COC(=O)c1c[nH+]ccc1NC[C@@H]1C[N@@H+](C)CCO1 ZINC001162690559 802398303 /nfs/dbraw/zinc/39/83/03/802398303.db2.gz XUWSIHRADJUFFL-SNVBAGLBSA-N 2 2 265.313 0.033 20 0 CCADLP [NH3+]CCC(=O)NCCc1c[nH+]cn1[C@@H]1CCSC1 ZINC001255277219 808339683 /nfs/dbraw/zinc/33/96/83/808339683.db2.gz ONYIXKNLOVCHLL-LLVKDONJSA-N 2 2 268.386 0.569 20 0 CCADLP O=C1Cc2c[nH+]c(NCc3nnc4n3CCC[NH2+]C4)cc2N1 ZINC001163012038 802456183 /nfs/dbraw/zinc/45/61/83/802456183.db2.gz UUAJKVQIWCYUQZ-UHFFFAOYSA-N 2 2 299.338 0.273 20 0 CCADLP C[C@H](O)CCC[NH2+]CCCNC(=O)CCc1[nH+]ccn1C ZINC001163043887 802467230 /nfs/dbraw/zinc/46/72/30/802467230.db2.gz AUCMDUDWXZQTNM-ZDUSSCGKSA-N 2 2 296.415 0.610 20 0 CCADLP Nc1nc(Nc2ccc([C@@H](C[NH3+])CO)cc2)cc[nH+]1 ZINC001163052099 802469782 /nfs/dbraw/zinc/46/97/82/802469782.db2.gz FVTYYEQJEUCTHG-JTQLQIEISA-N 2 2 259.313 0.837 20 0 CCADLP COCCOc1cc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)cc[nH+]1 ZINC001163251373 802518619 /nfs/dbraw/zinc/51/86/19/802518619.db2.gz AZDZFVJURQSBKN-FZMZJTMJSA-N 2 2 292.339 0.097 20 0 CCADLP COC(=O)c1c[nH+]ccc1N[C@H]1C[NH+]2CCC1CC2 ZINC001163394658 802551405 /nfs/dbraw/zinc/55/14/05/802551405.db2.gz KVODCPOANCZSLM-ZDUSSCGKSA-N 2 2 261.325 0.796 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH2+]CCCNC(=O)CCn2cc[nH+]c2)O1 ZINC001163593540 802574076 /nfs/dbraw/zinc/57/40/76/802574076.db2.gz KAZMPTXHMHEONU-KGLIPLIRSA-N 2 2 294.399 0.937 20 0 CCADLP FC1(F)COCCN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC001163974478 802642850 /nfs/dbraw/zinc/64/28/50/802642850.db2.gz VYHXDHOXSRHZDS-UHFFFAOYSA-N 2 2 298.337 0.963 20 0 CCADLP C[C@]1(CO)CCN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC001164147645 802675720 /nfs/dbraw/zinc/67/57/20/802675720.db2.gz WELWNGYPXFBPEH-HNNXBMFYSA-N 2 2 276.384 0.700 20 0 CCADLP C[NH+](C)C1(CNc2cnc(C[NH3+])nc2)CC[NH+](C)CC1 ZINC001164213372 802689556 /nfs/dbraw/zinc/68/95/56/802689556.db2.gz UCEHOBCGETZYFC-UHFFFAOYSA-N 3 2 278.404 0.373 20 0 CCADLP CCOCC[NH2+]CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001206690807 802778258 /nfs/dbraw/zinc/77/82/58/802778258.db2.gz GBOKJBMFLMBYRQ-UHFFFAOYSA-N 2 2 294.399 0.817 20 0 CCADLP Cc1nc(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)c(C)c(C)[nH+]1 ZINC001165283829 802812930 /nfs/dbraw/zinc/81/29/30/802812930.db2.gz FSWSVJWULDZPRS-OCCSQVGLSA-N 2 2 262.357 0.420 20 0 CCADLP CCCc1cc(N2CCNC(=O)C23C[NH2+]C3)nc(C)[nH+]1 ZINC001165302092 802819707 /nfs/dbraw/zinc/81/97/07/802819707.db2.gz HJKLENWDQAENJZ-UHFFFAOYSA-N 2 2 275.356 0.016 20 0 CCADLP CN(C)c1cc(N2CCC(C3C[NH2+]C3)CC2)nc[nH+]1 ZINC001165409130 802836871 /nfs/dbraw/zinc/83/68/71/802836871.db2.gz UIYIUJYCTVCCBK-UHFFFAOYSA-N 2 2 261.373 0.978 20 0 CCADLP CN(C)c1cc(N2CCC(C3C[NH2+]C3)CC2)[nH+]cn1 ZINC001165409130 802836877 /nfs/dbraw/zinc/83/68/77/802836877.db2.gz UIYIUJYCTVCCBK-UHFFFAOYSA-N 2 2 261.373 0.978 20 0 CCADLP Cc1nc([C@@H](C)[NH2+]CCCNC(=O)CC[NH+](C)C)no1 ZINC001165781552 802865554 /nfs/dbraw/zinc/86/55/54/802865554.db2.gz VIVAZDCTRNQACE-SNVBAGLBSA-N 2 2 283.376 0.487 20 0 CCADLP COCCC[NH2+]CCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001166402001 802904339 /nfs/dbraw/zinc/90/43/39/802904339.db2.gz LJEBJXNRHMQMFV-GFCCVEGCSA-N 2 2 294.399 0.962 20 0 CCADLP CN1CC[C@H](Nc2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)C1=O ZINC001166692350 802940095 /nfs/dbraw/zinc/94/00/95/802940095.db2.gz FYHBQBYJBJFKPZ-HIFRSBDPSA-N 2 2 288.395 0.862 20 0 CCADLP CN1CC[C@H](Nc2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)C1=O ZINC001166692350 802940099 /nfs/dbraw/zinc/94/00/99/802940099.db2.gz FYHBQBYJBJFKPZ-HIFRSBDPSA-N 2 2 288.395 0.862 20 0 CCADLP CCN(c1ccc(N2CC[NH2+]CC2)c[nH+]1)C1COC1 ZINC001166942585 802987914 /nfs/dbraw/zinc/98/79/14/802987914.db2.gz OPLBPSRRIIQLPH-UHFFFAOYSA-N 2 2 262.357 0.716 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CCC(C[NH2+]CCCO)CC1 ZINC001205118968 803118725 /nfs/dbraw/zinc/11/87/25/803118725.db2.gz JJCJDSYKNKBILG-UHFFFAOYSA-N 2 2 294.399 0.553 20 0 CCADLP [NH3+][C@@]1(c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)CCOC1 ZINC001205227255 803127660 /nfs/dbraw/zinc/12/76/60/803127660.db2.gz ILOZNDATVMWNRP-AWEZNQCLSA-N 2 2 287.323 0.352 20 0 CCADLP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2ncc(Cl)cn2)CC1 ZINC001205247849 803131983 /nfs/dbraw/zinc/13/19/83/803131983.db2.gz KFSROMLRYUYOER-GFCCVEGCSA-N 2 2 270.764 0.806 20 0 CCADLP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ncc(Cl)cn2)CC1 ZINC001205247849 803131986 /nfs/dbraw/zinc/13/19/86/803131986.db2.gz KFSROMLRYUYOER-GFCCVEGCSA-N 2 2 270.764 0.806 20 0 CCADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205664960 803152668 /nfs/dbraw/zinc/15/26/68/803152668.db2.gz PVSAKMWQPPYRNK-UPJWGTAASA-N 3 2 291.386 0.653 20 0 CCADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205664960 803152672 /nfs/dbraw/zinc/15/26/72/803152672.db2.gz PVSAKMWQPPYRNK-UPJWGTAASA-N 3 2 291.386 0.653 20 0 CCADLP [NH3+]C[C@H]1CN(CC2=CS[C@H]([NH3+])N2)CCC1(F)F ZINC001205735567 803169650 /nfs/dbraw/zinc/16/96/50/803169650.db2.gz OBQXYEHXVZYQOX-IONNQARKSA-N 2 2 264.345 0.322 20 0 CCADLP C[C@@H]1C[N@H+](CC2=C3CCOC(=O)C3=CN[C@@H]2C)C[C@H]1[NH3+] ZINC001206053323 803199972 /nfs/dbraw/zinc/19/99/72/803199972.db2.gz RKTQRJVVZIBDHZ-GPCCPHFNSA-N 2 2 277.368 0.385 20 0 CCADLP C[C@@H]1C[N@@H+](CC2=C3CCOC(=O)C3=CN[C@@H]2C)C[C@H]1[NH3+] ZINC001206053323 803199978 /nfs/dbraw/zinc/19/99/78/803199978.db2.gz RKTQRJVVZIBDHZ-GPCCPHFNSA-N 2 2 277.368 0.385 20 0 CCADLP CC(C)(C)c1nc[nH]c1C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206476128 803249997 /nfs/dbraw/zinc/24/99/97/803249997.db2.gz RUAOOZOQJXHLPB-GXSJLCMTSA-N 2 2 252.362 0.459 20 0 CCADLP CC(C)(C)c1nc[nH]c1C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206476128 803250001 /nfs/dbraw/zinc/25/00/01/803250001.db2.gz RUAOOZOQJXHLPB-GXSJLCMTSA-N 2 2 252.362 0.459 20 0 CCADLP Cn1cc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c2c1ccnc2Cl ZINC001206492313 803253225 /nfs/dbraw/zinc/25/32/25/803253225.db2.gz UCHVZBIZCKOZQN-JOYOIKCWSA-N 2 2 294.786 0.978 20 0 CCADLP Cn1cc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c2c1ccnc2Cl ZINC001206492313 803253231 /nfs/dbraw/zinc/25/32/31/803253231.db2.gz UCHVZBIZCKOZQN-JOYOIKCWSA-N 2 2 294.786 0.978 20 0 CCADLP Cc1[nH+]cc(CN2CC(N3CC[NH+](C)CC3)C2)n1C ZINC001206795909 803287673 /nfs/dbraw/zinc/28/76/73/803287673.db2.gz NTJPCCYVEAHCTM-UHFFFAOYSA-N 2 2 263.389 0.160 20 0 CCADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(CC[NH+](C)C)C2 ZINC001208127179 803493316 /nfs/dbraw/zinc/49/33/16/803493316.db2.gz SXMVTAMCMNBIFD-UHFFFAOYSA-N 2 2 294.447 0.886 20 0 CCADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(CC[NH+](C)C)C2 ZINC001208127179 803493320 /nfs/dbraw/zinc/49/33/20/803493320.db2.gz SXMVTAMCMNBIFD-UHFFFAOYSA-N 2 2 294.447 0.886 20 0 CCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C)[NH+](CC)CC ZINC001208575822 803524398 /nfs/dbraw/zinc/52/43/98/803524398.db2.gz WFRZDPNUQOQNGG-JHJVBQTASA-N 2 2 298.431 0.029 20 0 CCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C)[NH+](CC)CC ZINC001208575822 803524400 /nfs/dbraw/zinc/52/44/00/803524400.db2.gz WFRZDPNUQOQNGG-JHJVBQTASA-N 2 2 298.431 0.029 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208618667 803530306 /nfs/dbraw/zinc/53/03/06/803530306.db2.gz RAHALTPJGLMPOF-LSDHHAIUSA-N 3 2 296.459 0.470 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH+](C)C2)C1 ZINC001208618667 803530309 /nfs/dbraw/zinc/53/03/09/803530309.db2.gz RAHALTPJGLMPOF-LSDHHAIUSA-N 3 2 296.459 0.470 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[NH+](C[C@H]2CCC[N@H+](C)C2)C1 ZINC001208618667 803530311 /nfs/dbraw/zinc/53/03/11/803530311.db2.gz RAHALTPJGLMPOF-LSDHHAIUSA-N 3 2 296.459 0.470 20 0 CCADLP O=C(N[C@H](C[NH2+]CCF)C1CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001276610567 803568872 /nfs/dbraw/zinc/56/88/72/803568872.db2.gz CCEUVGKRBAFQMJ-QWHCGFSZSA-N 2 2 294.374 0.899 20 0 CCADLP CC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@H](OC)C1 ZINC001213802622 803704414 /nfs/dbraw/zinc/70/44/14/803704414.db2.gz ZGRWRFPFUAFLPR-CHWSQXEVSA-N 2 2 280.372 0.188 20 0 CCADLP C[NH+](C)CCN1C[C@@H]2CC[N@H+](Cc3c[nH+]ccc3N)[C@@H]2C1 ZINC001276713933 803756215 /nfs/dbraw/zinc/75/62/15/803756215.db2.gz VTTWTYXKEIXWPF-XJKSGUPXSA-N 2 2 289.427 0.562 20 0 CCADLP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3c[nH+]ccc3N)[C@@H]2C1 ZINC001276713933 803756221 /nfs/dbraw/zinc/75/62/21/803756221.db2.gz VTTWTYXKEIXWPF-XJKSGUPXSA-N 3 2 289.427 0.562 20 0 CCADLP C[NH+](C)CCN1C[C@@H]2CC[N@H+](Cc3cnccc3N)[C@@H]2C1 ZINC001276713933 803756227 /nfs/dbraw/zinc/75/62/27/803756227.db2.gz VTTWTYXKEIXWPF-XJKSGUPXSA-N 2 2 289.427 0.562 20 0 CCADLP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3cnccc3N)[C@@H]2C1 ZINC001276713933 803756233 /nfs/dbraw/zinc/75/62/33/803756233.db2.gz VTTWTYXKEIXWPF-XJKSGUPXSA-N 2 2 289.427 0.562 20 0 CCADLP COCCC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001215268930 803786740 /nfs/dbraw/zinc/78/67/40/803786740.db2.gz DBAPJUCFGVIZKT-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@H](O)CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215680547 803823080 /nfs/dbraw/zinc/82/30/80/803823080.db2.gz AYFIKMCFLIHYDK-MBNYWOFBSA-N 2 2 294.399 0.550 20 0 CCADLP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C)OC ZINC001215680643 803823370 /nfs/dbraw/zinc/82/33/70/803823370.db2.gz HBTZOFZLWGLGNN-KWCYVHTRSA-N 2 2 294.399 0.814 20 0 CCADLP COCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001215705844 803825098 /nfs/dbraw/zinc/82/50/98/803825098.db2.gz SWOWTNDZKCZEDV-HZSPNIEDSA-N 2 2 294.399 0.917 20 0 CCADLP COCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001217006245 803864196 /nfs/dbraw/zinc/86/41/96/803864196.db2.gz YCRSRCBOHJDIOU-CHWSQXEVSA-N 2 2 280.372 0.356 20 0 CCADLP CN1CCN(C)[C@H](C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C1 ZINC000405307257 803872937 /nfs/dbraw/zinc/87/29/37/803872937.db2.gz MVVTUXYRZUDNAH-JHJVBQTASA-N 2 2 252.406 0.092 20 0 CCADLP FC1(F)C[NH2+]C[C@@H]1Oc1ccc2c(n1)CC[NH2+]C2 ZINC001218235867 803943400 /nfs/dbraw/zinc/94/34/00/803943400.db2.gz NLIMHZOJJFCVSD-JTQLQIEISA-N 2 2 255.268 0.713 20 0 CCADLP COC(=O)[C@H]1[NH2+]CC[C@H]1Oc1cccc2c1CC[NH2+]C2 ZINC001218347481 803949095 /nfs/dbraw/zinc/94/90/95/803949095.db2.gz JMUCJFHXHNVUOP-KGLIPLIRSA-N 2 2 276.336 0.615 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1cccc2nccn21 ZINC001218496650 803962873 /nfs/dbraw/zinc/96/28/73/803962873.db2.gz HFXLIMKCXHMLEM-UHFFFAOYSA-N 2 2 273.340 0.614 20 0 CCADLP Cc1cc(C[C@H](C)NC(=O)C2([NH3+])CC[NH2+]CC2)on1 ZINC001218502250 803967718 /nfs/dbraw/zinc/96/77/18/803967718.db2.gz YCYOPKPCMJCGJP-VIFPVBQESA-N 2 2 266.345 0.111 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1nc(C(F)(F)F)cs1 ZINC001218519256 803981731 /nfs/dbraw/zinc/98/17/31/803981731.db2.gz TUFPPCGXZWKVOP-WHFBIAKZSA-N 2 2 280.275 0.647 20 0 CCADLP COc1cc(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)ncn1 ZINC001218538121 803993296 /nfs/dbraw/zinc/99/32/96/803993296.db2.gz GXSPUBLQEFHRST-LLVKDONJSA-N 2 2 287.323 0.696 20 0 CCADLP CCc1cc(C(=O)OC)c(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)s1 ZINC001218548803 804000386 /nfs/dbraw/zinc/00/03/86/804000386.db2.gz WAGRDZZICHOYFB-XCBNKYQSSA-N 2 2 297.380 0.725 20 0 CCADLP Cc1cc(F)ncc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218550047 804000639 /nfs/dbraw/zinc/00/06/39/804000639.db2.gz VEYKEPXZTIOFKQ-VIFPVBQESA-N 2 2 263.276 0.761 20 0 CCADLP Cc1nonc1NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001218563905 804010533 /nfs/dbraw/zinc/01/05/33/804010533.db2.gz STJVWNZGZZGXNE-JTQLQIEISA-N 2 2 261.285 0.589 20 0 CCADLP Cn1nc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c2ccc(Cl)nc21 ZINC001218573405 804015320 /nfs/dbraw/zinc/01/53/20/804015320.db2.gz WPSJACUENMBQOO-SVRRBLITSA-N 2 2 294.746 0.249 20 0 CCADLP [NH3+]C1(C(=O)Nc2cnn(C3CCOCC3)c2)CC[NH2+]CC1 ZINC001218588260 804022706 /nfs/dbraw/zinc/02/27/06/804022706.db2.gz LUCMTDZGFAOTDJ-UHFFFAOYSA-N 2 2 293.371 0.254 20 0 CCADLP Nc1cc[nH+]c(-c2cc(NC(=O)C[C@@H](O)C[NH3+])ccn2)c1 ZINC001218611972 804033596 /nfs/dbraw/zinc/03/35/96/804033596.db2.gz KMUJXGHRFPUDAT-LLVKDONJSA-N 2 2 287.323 0.374 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cnc2n[nH]cc2c1 ZINC001218615237 804034864 /nfs/dbraw/zinc/03/48/64/804034864.db2.gz VNLNDTYKNOUZGV-JTQLQIEISA-N 2 2 271.284 0.190 20 0 CCADLP Cc1[nH]nc2ncc(NC(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)cc12 ZINC001218616034 804035803 /nfs/dbraw/zinc/03/58/03/804035803.db2.gz VSGOBLJMCRLOQC-GYSYKLTISA-N 2 2 286.339 0.427 20 0 CCADLP Cc1ncc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)nc1C ZINC001218623992 804040226 /nfs/dbraw/zinc/04/02/26/804040226.db2.gz FNTOFQDWUBLAOA-BREBYQMCSA-N 2 2 261.329 0.254 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1c[nH]c(Cl)cc1=O ZINC001218630844 804048046 /nfs/dbraw/zinc/04/80/46/804048046.db2.gz CEBYVDDMPZTTRP-QMMMGPOBSA-N 2 2 295.730 0.683 20 0 CCADLP COC(=O)c1onc(C)c1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218636415 804050098 /nfs/dbraw/zinc/05/00/98/804050098.db2.gz STZHRVZDUQSFQI-UHFFFAOYSA-N 2 2 296.327 0.050 20 0 CCADLP COc1nc(Cl)ncc1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218634232 804050367 /nfs/dbraw/zinc/05/03/67/804050367.db2.gz ISEMZDAVCWVSMB-UHFFFAOYSA-N 2 2 299.762 0.419 20 0 CCADLP CCc1nccnc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001218646804 804058802 /nfs/dbraw/zinc/05/88/02/804058802.db2.gz SAOWCSLIXDWMHA-JTQLQIEISA-N 2 2 274.328 0.281 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1ccn2cnnc2c1 ZINC001218657860 804069560 /nfs/dbraw/zinc/06/95/60/804069560.db2.gz WJAKDNVHDPGYKQ-UHFFFAOYSA-N 2 2 274.328 0.009 20 0 CCADLP Cc1cc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)cc(=O)o1 ZINC001218681358 804079373 /nfs/dbraw/zinc/07/93/73/804079373.db2.gz BZQXZDRJDSJWMA-SNVBAGLBSA-N 2 2 262.269 0.180 20 0 CCADLP Cc1cccc2ncc(NC(=O)C[NH2+]C3CC[NH2+]CC3)n21 ZINC001218736663 804099809 /nfs/dbraw/zinc/09/98/09/804099809.db2.gz LMIMDEAPPYGLDW-UHFFFAOYSA-N 2 2 287.367 0.923 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC001218817542 804131958 /nfs/dbraw/zinc/13/19/58/804131958.db2.gz CSFILGJHMKLXGZ-MFKMUULPSA-N 2 2 288.351 0.441 20 0 CCADLP [NH3+]C1(C(=O)Nc2cccc(Cn3cccn3)c2)CC[NH2+]CC1 ZINC001218847439 804139445 /nfs/dbraw/zinc/13/94/45/804139445.db2.gz MMXJZXOOBPQOOV-UHFFFAOYSA-N 2 2 299.378 0.951 20 0 CCADLP CC(=O)Nc1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc1Cl ZINC001218874135 804143838 /nfs/dbraw/zinc/14/38/38/804143838.db2.gz SRALJHFLWQQBNV-ONGXEEELSA-N 2 2 296.758 0.784 20 0 CCADLP Cn1cnc2ccc(NC(=O)C3([NH3+])CC[NH2+]CC3)cc21 ZINC001218886593 804147288 /nfs/dbraw/zinc/14/72/88/804147288.db2.gz ZDADKWWPRRQIKX-UHFFFAOYSA-N 2 2 273.340 0.593 20 0 CCADLP CC(C)(C[NH3+])c1ccc(NC(=O)[C@@H]2COCC[NH2+]2)cc1 ZINC001218895677 804151220 /nfs/dbraw/zinc/15/12/20/804151220.db2.gz STNSFCXYAGBCBL-ZDUSSCGKSA-N 2 2 277.368 0.850 20 0 CCADLP Nc1ccc2c(c1)CCCN2C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001219266776 804253982 /nfs/dbraw/zinc/25/39/82/804253982.db2.gz WWDVVTURGQUPQN-CYBMUJFWSA-N 2 2 285.351 0.841 20 0 CCADLP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000312103228 804304251 /nfs/dbraw/zinc/30/42/51/804304251.db2.gz ITBAJUSBEHZUFB-UHFFFAOYSA-N 2 2 284.341 0.222 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccc(F)c3c2OCCC3=O)C1 ZINC001219486993 804329552 /nfs/dbraw/zinc/32/95/52/804329552.db2.gz XLOBVNWDOYTUMQ-XCBNKYQSSA-N 2 2 293.298 0.419 20 0 CCADLP Cc1cnc(CCNC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)nc1 ZINC001219604688 804369727 /nfs/dbraw/zinc/36/97/27/804369727.db2.gz WKOPYKBAHPBXMQ-CQSZACIVSA-N 2 2 299.378 0.716 20 0 CCADLP Cc1cc(CNC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)no1 ZINC001219603828 804369799 /nfs/dbraw/zinc/36/97/99/804369799.db2.gz DWLYLZWTIKUWLX-ZDUSSCGKSA-N 2 2 274.324 0.872 20 0 CCADLP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)c1cc2c[nH+]ccc2[nH]1 ZINC001219627823 804379206 /nfs/dbraw/zinc/37/92/06/804379206.db2.gz IRHSHFHKTSRZGE-GXTWGEPZSA-N 2 2 292.314 0.355 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)c2cccc(C[NH3+])c2)c1 ZINC000313291396 804396926 /nfs/dbraw/zinc/39/69/26/804396926.db2.gz GKKAAVPRMWQUJC-UHFFFAOYSA-N 2 2 258.325 0.851 20 0 CCADLP Cn1cccc1CNC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001219699214 804407848 /nfs/dbraw/zinc/40/78/48/804407848.db2.gz XJHAZBTZAHXGAX-AWEZNQCLSA-N 2 2 272.352 0.914 20 0 CCADLP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@@H](CO)n1cc[nH+]c1 ZINC001219773408 804419379 /nfs/dbraw/zinc/41/93/79/804419379.db2.gz RKQZTRNIQKRUBF-GFCCVEGCSA-N 2 2 278.356 0.065 20 0 CCADLP [NH3+]C1(C(=O)N[C@H]2C[NH2+]Cc3ccsc32)CC[NH2+]CC1 ZINC001219825016 804429366 /nfs/dbraw/zinc/42/93/66/804429366.db2.gz BCVILTQOXCRYHW-JTQLQIEISA-N 3 2 280.397 0.090 20 0 CCADLP O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1COC[NH2+]1 ZINC001219938825 804454034 /nfs/dbraw/zinc/45/40/34/804454034.db2.gz GIYJTMADNWZWOQ-ZDUSSCGKSA-N 2 2 297.399 0.084 20 0 CCADLP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220062102 804491058 /nfs/dbraw/zinc/49/10/58/804491058.db2.gz MBQLLJFZDYQUIR-TZMCWYRMSA-N 3 2 293.415 0.660 20 0 CCADLP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220062102 804491062 /nfs/dbraw/zinc/49/10/62/804491062.db2.gz MBQLLJFZDYQUIR-TZMCWYRMSA-N 3 2 293.415 0.660 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC(C)(C)C1 ZINC001220291780 804563840 /nfs/dbraw/zinc/56/38/40/804563840.db2.gz XJLNGASHUBKOCJ-USZNOCQGSA-N 2 2 253.390 0.864 20 0 CCADLP C[C@H]1C[C@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c2ccccc21 ZINC001220331739 804574746 /nfs/dbraw/zinc/57/47/46/804574746.db2.gz CCXJWEZMTFEDSR-HBEIAFGSSA-N 2 2 259.353 0.898 20 0 CCADLP C[NH+](C)CCC(C)(C)NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220385834 804590993 /nfs/dbraw/zinc/59/09/93/804590993.db2.gz CBZGLNWPXFGTMJ-LLVKDONJSA-N 3 2 267.377 0.126 20 0 CCADLP C[C@@]1(C(=O)NCC2([NH3+])CCCC2)CC(F)(F)C[NH2+]1 ZINC001220494281 804615091 /nfs/dbraw/zinc/61/50/91/804615091.db2.gz JBIMJXUMNZQAKP-JTQLQIEISA-N 2 2 261.316 0.761 20 0 CCADLP CCCC[C@](CC)(NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C(=O)OCC ZINC001220637873 804640802 /nfs/dbraw/zinc/64/08/02/804640802.db2.gz JSHCSDVOCKGPDR-XUJVJEKNSA-N 2 2 299.415 0.694 20 0 CCADLP CCCC[C@](CC)(NC(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)C(=O)OCC ZINC001220637870 804640918 /nfs/dbraw/zinc/64/09/18/804640918.db2.gz JSHCSDVOCKGPDR-HUBLWGQQSA-N 2 2 299.415 0.694 20 0 CCADLP N=C(NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)c1cccnc1Cl ZINC001220660360 804644304 /nfs/dbraw/zinc/64/43/04/804644304.db2.gz DQSWMFOGVYOPER-KKFJDGPESA-N 2 2 293.758 0.398 20 0 CCADLP N=C(NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)c1cccnc1Cl ZINC001220660919 804646003 /nfs/dbraw/zinc/64/60/03/804646003.db2.gz OQWQDRKQJJYEHX-ISVAXAHUSA-N 2 2 293.758 0.128 20 0 CCADLP O=C(NCc1ccc2ocnc2c1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220678717 804647178 /nfs/dbraw/zinc/64/71/78/804647178.db2.gz JNANTHTZDYKTPJ-IAQYHMDHSA-N 2 2 286.335 0.396 20 0 CCADLP COC(=O)C[C@@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C1CCCCC1 ZINC001220731334 804657984 /nfs/dbraw/zinc/65/79/84/804657984.db2.gz LJPFYNLPVORMIC-RWMBFGLXSA-N 2 2 297.399 0.161 20 0 CCADLP COC1CCC(CCNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001220754656 804660698 /nfs/dbraw/zinc/66/06/98/804660698.db2.gz KFFYESMZYPDILF-NQKKVCCDSA-N 2 2 295.427 0.649 20 0 CCADLP C[C@H](CNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)CC(C)(C)CC[NH3+] ZINC001220763927 804662017 /nfs/dbraw/zinc/66/20/17/804662017.db2.gz SRYWTJJGAFCHLE-XEZPLFJOSA-N 3 2 296.459 0.455 20 0 CCADLP CCOC(=O)[C@H](C)CNC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220848732 804679910 /nfs/dbraw/zinc/67/99/10/804679910.db2.gz HBVFADRVPVRMQP-MFKMUULPSA-N 2 2 293.367 0.574 20 0 CCADLP CC1(C)C[C@H](CNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CCO1 ZINC001220952878 804706193 /nfs/dbraw/zinc/70/61/93/804706193.db2.gz GZYNDEGHLSFEIW-LALPHHSUSA-N 2 2 281.400 0.259 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H](c1ccnc(F)c1)C1CC1 ZINC001221053568 804724872 /nfs/dbraw/zinc/72/48/72/804724872.db2.gz FTUCDMDVFQEVRF-GMXVVIOVSA-N 2 2 278.331 0.335 20 0 CCADLP CCOc1cccc(CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)n1 ZINC001221065704 804727204 /nfs/dbraw/zinc/72/72/04/804727204.db2.gz RTYUTRSHBJSHTF-JMSVASOKSA-N 2 2 290.367 0.318 20 0 CCADLP O=C(NC[C@@H]1CCCC(F)(F)C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221161955 804737105 /nfs/dbraw/zinc/73/71/05/804737105.db2.gz HOXQJMYWBIXATE-GYSYKLTISA-N 2 2 287.354 0.880 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCC1(Cc2ccccc2F)CC1 ZINC001221171646 804740452 /nfs/dbraw/zinc/74/04/52/804740452.db2.gz CTJLHZFGWIJAQN-JSGCOSHPSA-N 2 2 291.370 0.811 20 0 CCADLP CCn1cc(NC(=O)C[NH2+]C2CC[NH2+]CC2)ccc1=O ZINC001221176849 804741046 /nfs/dbraw/zinc/74/10/46/804741046.db2.gz PVWHVMUGEGLCLT-UHFFFAOYSA-N 2 2 278.356 0.148 20 0 CCADLP C[C@H]1[C@H]2C[C@@H](C[C@H]1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C2(C)C ZINC001221198363 804743751 /nfs/dbraw/zinc/74/37/51/804743751.db2.gz AFJKQPDSDYHQMF-LVTVNPDKSA-N 2 2 265.401 0.720 20 0 CCADLP Cc1cccc([C@@H](CO)NC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)c1 ZINC001221192477 804743759 /nfs/dbraw/zinc/74/37/59/804743759.db2.gz UHZJSHWDRMQUMC-LZWOXQAQSA-N 2 2 289.379 0.096 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CCOC[C@@H]2F)cc1 ZINC001221243429 804755006 /nfs/dbraw/zinc/75/50/06/804755006.db2.gz JHUSBSLAYROUAQ-RWMBFGLXSA-N 2 2 281.331 0.502 20 0 CCADLP O=C(N[C@@H]1CCCc2cnccc21)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001221291931 804766900 /nfs/dbraw/zinc/76/69/00/804766900.db2.gz AHIPHUMUJNZRQL-PMOUVXMZSA-N 2 2 286.379 0.525 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@H]2CCCc3cnccc32)C1 ZINC001221292583 804767858 /nfs/dbraw/zinc/76/78/58/804767858.db2.gz ORNVQSCTKLWOKB-WXHSDQCUSA-N 2 2 260.341 0.264 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@H]1CCCc2cnccc21 ZINC001221293038 804770046 /nfs/dbraw/zinc/77/00/46/804770046.db2.gz YKRSECOQNHZZQZ-GJZGRUSLSA-N 2 2 299.378 0.879 20 0 CCADLP CC(C)(C)OC(=O)C(C)(C)CNC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001221306333 804772225 /nfs/dbraw/zinc/77/22/25/804772225.db2.gz PLQFLWKZFKRRSL-UWVGGRQHSA-N 2 2 285.388 0.017 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C(=O)Nc2ccccc21 ZINC001221309649 804772308 /nfs/dbraw/zinc/77/23/08/804772308.db2.gz UHSLEBFDBGOFME-RYUDHWBXSA-N 2 2 299.334 0.132 20 0 CCADLP Cn1ncc2c1cccc2CNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221306528 804772561 /nfs/dbraw/zinc/77/25/61/804772561.db2.gz SSEPEVMTKHVFQH-LRDDRELGSA-N 2 2 299.378 0.141 20 0 CCADLP Cc1ncsc1CCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001221330077 804778446 /nfs/dbraw/zinc/77/84/46/804778446.db2.gz SZAQVSSHYZRRIH-GARJFASQSA-N 2 2 280.397 0.060 20 0 CCADLP CCCC(C[NH3+])(CCC)NC(=O)[C@H](CO)n1cc[nH+]c1 ZINC001221369013 804789494 /nfs/dbraw/zinc/78/94/94/804789494.db2.gz GYXDGTJVDOVVER-LBPRGKRZSA-N 2 2 282.388 0.830 20 0 CCADLP C[C@]1(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)CCCOC1 ZINC001221403460 804806753 /nfs/dbraw/zinc/80/67/53/804806753.db2.gz SUVQVUAQRCXHET-HIFRSBDPSA-N 2 2 277.368 0.944 20 0 CCADLP CCOCC[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222097493 804867565 /nfs/dbraw/zinc/86/75/65/804867565.db2.gz BJPROLUPPRSOMO-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP Cc1[nH+]cc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)n1C ZINC001222492172 804906400 /nfs/dbraw/zinc/90/64/00/804906400.db2.gz PUORJJFAPXPTRW-KBPBESRZSA-N 3 2 263.389 0.254 20 0 CCADLP C[C@H](O)C[NH+]1CCC(NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001227139117 805327249 /nfs/dbraw/zinc/32/72/49/805327249.db2.gz VWWKGVJUNKSIHX-NSHDSACASA-N 2 2 280.372 0.304 20 0 CCADLP Cc1cc(N)[nH+]cc1-c1nccnc1N1CC[NH2+]CC1 ZINC001242070767 806991137 /nfs/dbraw/zinc/99/11/37/806991137.db2.gz LEEFVWUBKYTDHX-UHFFFAOYSA-N 2 2 270.340 0.839 20 0 CCADLP C[C@H]1CC[C@@H](C[NH2+]C[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)C[NH2+]1 ZINC001245971063 807103598 /nfs/dbraw/zinc/10/35/98/807103598.db2.gz DQNFTYCUTPTCLD-QSPRXWTASA-N 3 2 291.439 0.895 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@H]1CC[C@H](C)[NH2+]C1 ZINC001245978025 807103888 /nfs/dbraw/zinc/10/38/88/807103888.db2.gz YVKHIDUBSHDEOX-BFHYXJOUSA-N 3 2 257.422 0.667 20 0 CCADLP C[C@H]1CC[C@H](C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)C[NH2+]1 ZINC001245974448 807103910 /nfs/dbraw/zinc/10/39/10/807103910.db2.gz MQTSXSSIISYKLW-XQQFMLRXSA-N 3 2 257.422 0.713 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H](C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)C1 ZINC001245988510 807108487 /nfs/dbraw/zinc/10/84/87/807108487.db2.gz CXLCMBPMIOUNAE-XQQFMLRXSA-N 3 2 257.422 0.571 20 0 CCADLP C[C@H]([NH3+])CC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001245999042 807111104 /nfs/dbraw/zinc/11/11/04/807111104.db2.gz IIUAJPFQGOCYMS-GOEBONIOSA-N 3 2 277.412 0.950 20 0 CCADLP C[C@H]([NH3+])CC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001245999042 807111107 /nfs/dbraw/zinc/11/11/07/807111107.db2.gz IIUAJPFQGOCYMS-GOEBONIOSA-N 3 2 277.412 0.950 20 0 CCADLP CCCCC[C@@H](O)C[NH2+][C@@H](CCC[NH3+])C(=O)OC ZINC001246009587 807114275 /nfs/dbraw/zinc/11/42/75/807114275.db2.gz VARGUNHSKYNLFN-NEPJUHHUSA-N 2 2 260.378 0.798 20 0 CCADLP CCOC(=O)C1CCC(O)(C[NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC001246011872 807116130 /nfs/dbraw/zinc/11/61/30/807116130.db2.gz WRSWILSTUVCWMX-JVWICGRDSA-N 2 2 284.400 0.812 20 0 CCADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCN(c3ncccn3)C2)C[NH2+]1 ZINC001246079940 807145717 /nfs/dbraw/zinc/14/57/17/807145717.db2.gz LLRYHGUTWQBKNU-UPJWGTAASA-N 2 2 261.373 0.785 20 0 CCADLP F[C@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCC[C@H](n2ncnn2)C1 ZINC001246107494 807155289 /nfs/dbraw/zinc/15/52/89/807155289.db2.gz HCRMCSMIOWCTHW-BJDJZHNGSA-N 2 2 268.340 0.446 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@]2(F)CCCC[NH2+]C2)CN1 ZINC001246115122 807157347 /nfs/dbraw/zinc/15/73/47/807157347.db2.gz QZWWDMKDMHJQJP-OBJOEFQTSA-N 2 2 287.379 0.351 20 0 CCADLP CC(C)(C)[C@H]1C[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@@H]2COC3)CC[NH2+]1 ZINC001246149012 807167280 /nfs/dbraw/zinc/16/72/80/807167280.db2.gz PLNCTFVQAFFYKY-XPABHHOTSA-N 3 2 281.444 0.977 20 0 CCADLP CCCC[N@H+](C)CCN[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246168918 807173998 /nfs/dbraw/zinc/17/39/98/807173998.db2.gz GLAJZIIXDTWCME-NEPJUHHUSA-N 2 2 257.378 0.211 20 0 CCADLP CCCC[N@@H+](C)CCN[C@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246168918 807174002 /nfs/dbraw/zinc/17/40/02/807174002.db2.gz GLAJZIIXDTWCME-NEPJUHHUSA-N 2 2 257.378 0.211 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]2)C[C@@H]1C(=O)OC ZINC001246186148 807180252 /nfs/dbraw/zinc/18/02/52/807180252.db2.gz FPZNOBYJROWAFD-KKOKHZNYSA-N 2 2 284.356 0.069 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@H]2C[NH2+]CC[C@H]2F)C[NH2+]1 ZINC001246214166 807188987 /nfs/dbraw/zinc/18/89/87/807188987.db2.gz DLUBQNXMKMZBQN-USZNOCQGSA-N 2 2 287.379 0.348 20 0 CCADLP CC[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CCC[NH2+]C2)C[C@H](CC)[NH2+]1 ZINC001246225063 807191346 /nfs/dbraw/zinc/19/13/46/807191346.db2.gz APNAAPDMUKKXPB-CBBWQLFWSA-N 3 2 269.433 1.000 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@@H](NC2(C(F)(F)F)C[NH2+]C2)C[NH2+]1 ZINC001246255992 807200180 /nfs/dbraw/zinc/20/01/80/807200180.db2.gz ZUYIAXLHCOUTPR-PSASIEDQSA-N 2 2 295.305 0.164 20 0 CCADLP CC[NH2+]CCN[C@@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246275140 807204232 /nfs/dbraw/zinc/20/42/32/807204232.db2.gz PMMUUCCBSJFABX-QWRGUYRKSA-N 2 2 257.378 0.258 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H](NC[C@H]([NH3+])c2ccccc2)C[NH2+]1 ZINC001246280014 807206018 /nfs/dbraw/zinc/20/60/18/807206018.db2.gz POJJPBGZJIQSAH-OFQRWUPVSA-N 2 2 291.395 0.960 20 0 CCADLP COC(=O)[C@@H]1C[C@H](NC[C@H]2Cc3ccccc3C[NH2+]2)C[NH2+]1 ZINC001246283516 807207071 /nfs/dbraw/zinc/20/70/71/807207071.db2.gz WQVQFYAXCZJWES-ILXRZTDVSA-N 2 2 289.379 0.194 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC001246302029 807214558 /nfs/dbraw/zinc/21/45/58/807214558.db2.gz ZVSHRALLNBIAOE-BBRMVZONSA-N 2 2 275.396 0.825 20 0 CCADLP CC[C@H]([NH3+])C[NH2+][C@H](C)CCS(=O)(=O)CCC(=O)OC ZINC001246311409 807218324 /nfs/dbraw/zinc/21/83/24/807218324.db2.gz CJHDPTNDTHCLSD-MNOVXSKESA-N 2 2 294.417 0.070 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]CCC2(C)C)CN1 ZINC001246323823 807221383 /nfs/dbraw/zinc/22/13/83/807221383.db2.gz CDSREYPIEKJGTD-FRRDWIJNSA-N 2 2 283.416 0.648 20 0 CCADLP NC(=O)c1ccccc1OCC[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246324831 807222776 /nfs/dbraw/zinc/22/27/76/807222776.db2.gz HJCMXEYZABTKOK-LLVKDONJSA-N 2 2 263.341 0.506 20 0 CCADLP C1C[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)[C@@H](N2CCOCC2)C1 ZINC001246333789 807225625 /nfs/dbraw/zinc/22/56/25/807225625.db2.gz AFRIPTNYCCUUCW-MCIONIFRSA-N 2 2 253.390 0.581 20 0 CCADLP C[C@H]1C[C@@H]([NH2+][C@@H](CC(=O)OC(C)(C)C)C(N)=O)CC[NH2+]1 ZINC001246441371 807251323 /nfs/dbraw/zinc/25/13/23/807251323.db2.gz CSAGMMUBXBLQPW-DCAQKATOSA-N 2 2 285.388 0.302 20 0 CCADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)N[C@H]1CC[NH2+][C@H](C)C1 ZINC001246464734 807257773 /nfs/dbraw/zinc/25/77/73/807257773.db2.gz GEYIKPLDDAEFPF-DYEKYZERSA-N 2 2 294.399 0.624 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc3[nH+]ccn3c2)CN1 ZINC001246495362 807264499 /nfs/dbraw/zinc/26/44/99/807264499.db2.gz OXVGBSNXHCKNQF-OLZOCXBDSA-N 2 2 288.351 0.718 20 0 CCADLP C[C@H]1C[NH2+]C[C@@H](N[C@H]2C[NH2+][C@H](C(=O)OC(C)(C)C)C2)C1 ZINC001246494765 807264790 /nfs/dbraw/zinc/26/47/90/807264790.db2.gz HODIKUUXBKGCPX-XQHKEYJVSA-N 2 2 283.416 0.646 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Nc2ccc([C@H](C[NH3+])CO)cc2)C[NH2+]1 ZINC001246499706 807266442 /nfs/dbraw/zinc/26/64/42/807266442.db2.gz DDVXCDFJBFDRMZ-BNOWGMLFSA-N 2 2 293.367 0.037 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([N@H+](C)C2CC[NH+](C)CC2)CN1 ZINC001246521171 807272804 /nfs/dbraw/zinc/27/28/04/807272804.db2.gz XQFLMPVYHYPKLG-OLZOCXBDSA-N 2 2 269.389 0.306 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([N@@H+](C)C2CC[NH+](C)CC2)CN1 ZINC001246521171 807272810 /nfs/dbraw/zinc/27/28/10/807272810.db2.gz XQFLMPVYHYPKLG-OLZOCXBDSA-N 2 2 269.389 0.306 20 0 CCADLP [NH3+][C@@H]1C[N@@H+]([C@H]2CCO[C@H](c3ccccc3)C2)C[C@H]1O ZINC001246556015 807286341 /nfs/dbraw/zinc/28/63/41/807286341.db2.gz HAYKOGAJGASQED-YJNKXOJESA-N 2 2 262.353 0.911 20 0 CCADLP [NH3+][C@@H]1C[N@H+]([C@H]2CCO[C@H](c3ccccc3)C2)C[C@H]1O ZINC001246556015 807286346 /nfs/dbraw/zinc/28/63/46/807286346.db2.gz HAYKOGAJGASQED-YJNKXOJESA-N 2 2 262.353 0.911 20 0 CCADLP CC[C@@H]1C[C@H]([N@@H+]2CCCC[C@@](O)(C[NH3+])C2)CC[NH2+]1 ZINC001246561622 807289784 /nfs/dbraw/zinc/28/97/84/807289784.db2.gz RIBXPCQHAVKXED-MGPQQGTHSA-N 3 2 255.406 0.693 20 0 CCADLP CC[C@@H]1C[C@H]([N@H+]2CCCC[C@@](O)(C[NH3+])C2)CC[NH2+]1 ZINC001246561622 807289789 /nfs/dbraw/zinc/28/97/89/807289789.db2.gz RIBXPCQHAVKXED-MGPQQGTHSA-N 3 2 255.406 0.693 20 0 CCADLP C[C@@H]1C[N@@H+]([C@@H]2CCN[C@@H](C(F)(F)F)C2)C[C@H]1[NH3+] ZINC001246568209 807294226 /nfs/dbraw/zinc/29/42/26/807294226.db2.gz PXBLGFZBZXFBGG-ZYUZMQFOSA-N 2 2 251.296 0.948 20 0 CCADLP C[C@@H]1C[N@H+]([C@@H]2CCN[C@@H](C(F)(F)F)C2)C[C@H]1[NH3+] ZINC001246568209 807294232 /nfs/dbraw/zinc/29/42/32/807294232.db2.gz PXBLGFZBZXFBGG-ZYUZMQFOSA-N 2 2 251.296 0.948 20 0 CCADLP C[C@@H]1C[N@@H+]([C@H]2CCN[C@@H](C(F)(F)F)C2)C[C@H]1[NH3+] ZINC001246568091 807294645 /nfs/dbraw/zinc/29/46/45/807294645.db2.gz PXBLGFZBZXFBGG-UTINFBMNSA-N 2 2 251.296 0.948 20 0 CCADLP C[C@@H]1C[N@H+]([C@H]2CCN[C@@H](C(F)(F)F)C2)C[C@H]1[NH3+] ZINC001246568091 807294651 /nfs/dbraw/zinc/29/46/51/807294651.db2.gz PXBLGFZBZXFBGG-UTINFBMNSA-N 2 2 251.296 0.948 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+]([C@H]2COc3ccc(Cl)cc3C2)C[C@@H]1O ZINC001246587110 807309244 /nfs/dbraw/zinc/30/92/44/807309244.db2.gz VHOLGZWUHRSCGC-UHTWSYAYSA-N 2 2 282.771 0.895 20 0 CCADLP [NH3+]C[C@H]1C[N@H+]([C@H]2COc3ccc(Cl)cc3C2)C[C@@H]1O ZINC001246587110 807309249 /nfs/dbraw/zinc/30/92/49/807309249.db2.gz VHOLGZWUHRSCGC-UHTWSYAYSA-N 2 2 282.771 0.895 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H]([N@@H+]2C[C@@H](C[NH3+])CC[C@H]2C)CN1 ZINC001246590068 807310171 /nfs/dbraw/zinc/31/01/71/807310171.db2.gz IDXIJYPGIGCHKH-GUIRCDHDSA-N 2 2 283.416 0.729 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H]([N@H+]2C[C@@H](C[NH3+])CC[C@H]2C)CN1 ZINC001246590068 807310180 /nfs/dbraw/zinc/31/01/80/807310180.db2.gz IDXIJYPGIGCHKH-GUIRCDHDSA-N 2 2 283.416 0.729 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@@H](N2CCC(F)(F)[C@H]([NH3+])C2)C[NH2+]1 ZINC001246595382 807316092 /nfs/dbraw/zinc/31/60/92/807316092.db2.gz HMWJQGKWIZLBQR-CKYFFXLPSA-N 2 2 291.342 0.338 20 0 CCADLP CC1(C[NH3+])C[NH+]([C@H]2CCN[C@@H](C(F)(F)F)C2)C1 ZINC001246599737 807318714 /nfs/dbraw/zinc/31/87/14/807318714.db2.gz QGDAPXZDXNURPL-DTWKUNHWSA-N 2 2 251.296 0.950 20 0 CCADLP CCOC(=O)[C@H]1CC2(C[N@@H+]1[C@H](C)CC[NH2+]C)CC[NH2+]CC2 ZINC001246608798 807321604 /nfs/dbraw/zinc/32/16/04/807321604.db2.gz JVTBVAKDFAVTAL-ZIAGYGMSSA-N 3 2 297.443 0.992 20 0 CCADLP CCOC(=O)[C@H]1CC2(C[N@H+]1[C@H](C)CC[NH2+]C)CC[NH2+]CC2 ZINC001246608798 807321612 /nfs/dbraw/zinc/32/16/12/807321612.db2.gz JVTBVAKDFAVTAL-ZIAGYGMSSA-N 3 2 297.443 0.992 20 0 CCADLP C[C@H]1CC[C@H]([N@@H+]2CCOCC3(CC[NH2+]CC3)C2)C[NH2+]1 ZINC001246611418 807323514 /nfs/dbraw/zinc/32/35/14/807323514.db2.gz GHFPRNCLNNIEME-KBPBESRZSA-N 3 2 267.417 0.829 20 0 CCADLP C[C@H]1CC[C@H]([N@H+]2CCOCC3(CC[NH2+]CC3)C2)C[NH2+]1 ZINC001246611418 807323522 /nfs/dbraw/zinc/32/35/22/807323522.db2.gz GHFPRNCLNNIEME-KBPBESRZSA-N 3 2 267.417 0.829 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)CN1 ZINC001246692763 807355347 /nfs/dbraw/zinc/35/53/47/807355347.db2.gz OOSGPKOKJYLNED-ABHRYQDASA-N 2 2 299.390 0.304 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)CN1 ZINC001246692763 807355355 /nfs/dbraw/zinc/35/53/55/807355355.db2.gz OOSGPKOKJYLNED-ABHRYQDASA-N 2 2 299.390 0.304 20 0 CCADLP C[C@@H]1CC[C@@H]([NH+]2CCC(C(=O)N3CCOCC3)CC2)C[NH2+]1 ZINC001246782260 807377219 /nfs/dbraw/zinc/37/72/19/807377219.db2.gz RESRQYNWCVELDJ-UKRRQHHQSA-N 2 2 295.427 0.698 20 0 CCADLP CC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246787357 807379525 /nfs/dbraw/zinc/37/95/25/807379525.db2.gz PIYVSSFINYMYBF-CQSZACIVSA-N 3 2 266.433 0.497 20 0 CCADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246787357 807379529 /nfs/dbraw/zinc/37/95/29/807379529.db2.gz PIYVSSFINYMYBF-CQSZACIVSA-N 3 2 266.433 0.497 20 0 CCADLP c1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)ncn1 ZINC001246865654 807413293 /nfs/dbraw/zinc/41/32/93/807413293.db2.gz VVBBHFPTVSVANB-PBWFPOADSA-N 2 2 273.384 0.882 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](C2CCC3(CCC[NH2+]C3)CC2)C[C@H]1[NH3+] ZINC001246929102 807431814 /nfs/dbraw/zinc/43/18/14/807431814.db2.gz CNXCLHDAJWZBBF-IOSBVQAASA-N 3 2 295.427 0.731 20 0 CCADLP COC(=O)[C@H]1C[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C[C@H]1[NH3+] ZINC001246929102 807431820 /nfs/dbraw/zinc/43/18/20/807431820.db2.gz CNXCLHDAJWZBBF-IOSBVQAASA-N 3 2 295.427 0.731 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C2CCC3(COC3)CC2)C[C@@H]1[NH3+] ZINC001246931785 807432202 /nfs/dbraw/zinc/43/22/02/807432202.db2.gz OCCFFCPPGIOJFX-NEPJUHHUSA-N 2 2 268.357 0.378 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C2CCC3(COC3)CC2)C[C@@H]1[NH3+] ZINC001246931785 807432207 /nfs/dbraw/zinc/43/22/07/807432207.db2.gz OCCFFCPPGIOJFX-NEPJUHHUSA-N 2 2 268.357 0.378 20 0 CCADLP CC[C@@H]1C[C@H]([N@@H+]2C[C@H]([NH3+])[C@@H](C(=O)OC)C2)CCO1 ZINC001246935016 807433040 /nfs/dbraw/zinc/43/30/40/807433040.db2.gz WYCIZTKNKYIYNP-WYUUTHIRSA-N 2 2 256.346 0.376 20 0 CCADLP CC[C@@H]1C[C@H]([N@H+]2C[C@H]([NH3+])[C@@H](C(=O)OC)C2)CCO1 ZINC001246935016 807433044 /nfs/dbraw/zinc/43/30/44/807433044.db2.gz WYCIZTKNKYIYNP-WYUUTHIRSA-N 2 2 256.346 0.376 20 0 CCADLP CC[C@@H]1C[C@H]([N@H+]2C[C@@H](C(=O)OC)[C@H]([NH3+])C2)CCO1 ZINC001246935013 807433947 /nfs/dbraw/zinc/43/39/47/807433947.db2.gz WYCIZTKNKYIYNP-DDHJBXDOSA-N 2 2 256.346 0.376 20 0 CCADLP CC[C@@H]1C[C@H]([N@@H+]2C[C@@H](C(=O)OC)[C@H]([NH3+])C2)CCO1 ZINC001246935013 807433951 /nfs/dbraw/zinc/43/39/51/807433951.db2.gz WYCIZTKNKYIYNP-DDHJBXDOSA-N 2 2 256.346 0.376 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+]([C@H]2CCC[C@@H](C(=O)OC)CC2)C[C@@H]1[NH3+] ZINC001246937800 807435676 /nfs/dbraw/zinc/43/56/76/807435676.db2.gz NZEDLJSRVWYGMF-XQHKEYJVSA-N 2 2 298.383 0.540 20 0 CCADLP COC(=O)[C@@H]1C[N@H+]([C@H]2CCC[C@@H](C(=O)OC)CC2)C[C@@H]1[NH3+] ZINC001246937800 807435682 /nfs/dbraw/zinc/43/56/82/807435682.db2.gz NZEDLJSRVWYGMF-XQHKEYJVSA-N 2 2 298.383 0.540 20 0 CCADLP CCC[NH+]1C[C@@H]2C[NH+]([C@H]3CN[C@H](C(=O)OC)C3)C[C@H]2C1 ZINC001246941392 807437699 /nfs/dbraw/zinc/43/76/99/807437699.db2.gz KGPKFNAGJFWGRD-SYQHCUMBSA-N 2 2 281.400 0.164 20 0 CCADLP CCOC(=O)[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C)[NH2+]C2)CCC12C[NH2+]C2 ZINC001247003885 807452644 /nfs/dbraw/zinc/45/26/44/807452644.db2.gz BNLJPPZHGFNGTR-MCIONIFRSA-N 3 2 295.427 0.602 20 0 CCADLP CCOC(=O)[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C)[NH2+]C2)CCC12C[NH2+]C2 ZINC001247003885 807452647 /nfs/dbraw/zinc/45/26/47/807452647.db2.gz BNLJPPZHGFNGTR-MCIONIFRSA-N 3 2 295.427 0.602 20 0 CCADLP CCOC(=O)[C@@H]1C[N@@H+]([C@H]2CCC[NH2+]C2)CCC12C[NH2+]C2 ZINC001247005104 807453481 /nfs/dbraw/zinc/45/34/81/807453481.db2.gz GADDZDUSDYIQSY-STQMWFEESA-N 3 2 281.400 0.213 20 0 CCADLP CCOC(=O)[C@@H]1C[N@H+]([C@H]2CCC[NH2+]C2)CCC12C[NH2+]C2 ZINC001247005104 807453485 /nfs/dbraw/zinc/45/34/85/807453485.db2.gz GADDZDUSDYIQSY-STQMWFEESA-N 3 2 281.400 0.213 20 0 CCADLP C[NH+]1CCN(c2ccc(-c3noc(C[NH3+])n3)cc2)CC1 ZINC001247386747 807460613 /nfs/dbraw/zinc/46/06/13/807460613.db2.gz KRQVSEZFSHGUJJ-UHFFFAOYSA-N 2 2 273.340 0.947 20 0 CCADLP CC(=O)c1ccc(-c2noc(C[C@@H]([NH3+])C[NH3+])n2)c(F)c1 ZINC001249128819 807544421 /nfs/dbraw/zinc/54/44/21/807544421.db2.gz FUOKDIYJOXWNGX-SECBINFHSA-N 2 2 278.287 0.907 20 0 CCADLP C[C@H](O)C[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001251958194 807750668 /nfs/dbraw/zinc/75/06/68/807750668.db2.gz VOQSEKVXUGXSGZ-QEJZJMRPSA-N 2 2 261.369 0.826 20 0 CCADLP C[C@H](O)C[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001251960778 807753269 /nfs/dbraw/zinc/75/32/69/807753269.db2.gz RWYSGHQWFPCLNW-IHRRRGAJSA-N 2 2 261.369 0.826 20 0 CCADLP COc1ccccc1OC[C@H](O)C[NH2+]CCc1[nH]cc[nH+]1 ZINC001252903235 807983370 /nfs/dbraw/zinc/98/33/70/807983370.db2.gz VYMKIXOEBXZWQV-GFCCVEGCSA-N 2 2 291.351 0.990 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001253204848 808030035 /nfs/dbraw/zinc/03/00/35/808030035.db2.gz WWBOEERLHRAQPE-ZIAGYGMSSA-N 3 2 257.422 0.763 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001253204848 808030026 /nfs/dbraw/zinc/03/00/26/808030026.db2.gz WWBOEERLHRAQPE-ZIAGYGMSSA-N 3 2 257.422 0.763 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C1CN(c2ccncn2)C1 ZINC001253410934 808063192 /nfs/dbraw/zinc/06/31/92/808063192.db2.gz XPHSHGLDFFSOTJ-LBPRGKRZSA-N 2 2 279.388 0.004 20 0 CCADLP CCOC(=O)C[NH+]1CCC(Nc2cccnc2C[NH3+])CC1 ZINC001254399114 808233882 /nfs/dbraw/zinc/23/38/82/808233882.db2.gz FICVIPHLBDXGKM-UHFFFAOYSA-N 2 2 292.383 0.980 20 0 CCADLP C(CN1CCOCC1)[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254833168 808283700 /nfs/dbraw/zinc/28/37/00/808283700.db2.gz VVJUUEBYNKYQTG-CQSZACIVSA-N 2 2 253.390 0.393 20 0 CCADLP CC(C)(C)OC(=O)N1C[C@@H]([NH2+]C2CCOCC2)[C@@H]([NH3+])C1 ZINC001255032279 808310812 /nfs/dbraw/zinc/31/08/12/808310812.db2.gz RVMJPZQXCXIYIM-NWDGAFQWSA-N 2 2 285.388 0.702 20 0 CCADLP COC[C@@H](C)[N@@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001255571233 808403950 /nfs/dbraw/zinc/40/39/50/808403950.db2.gz LYSKKZUGEKOQEO-GFCCVEGCSA-N 2 2 290.371 0.764 20 0 CCADLP COC[C@@H](C)[N@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001255571233 808403955 /nfs/dbraw/zinc/40/39/55/808403955.db2.gz LYSKKZUGEKOQEO-GFCCVEGCSA-N 2 2 290.371 0.764 20 0 CCADLP CCOC(=O)N1CC[C@@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC001256012218 808447537 /nfs/dbraw/zinc/44/75/37/808447537.db2.gz BASXQTWIZKIZOU-LLVKDONJSA-N 2 2 252.318 0.704 20 0 CCADLP C[NH+]1CCC(N2CC([N@@H+]3CCOC(C)(C)C3)C2)CC1 ZINC001256208322 808479488 /nfs/dbraw/zinc/47/94/88/808479488.db2.gz FGXFMFQSWZWXSO-UHFFFAOYSA-N 2 2 267.417 0.876 20 0 CCADLP C[NH+]1CCC(N2CC([N@H+]3CCOC(C)(C)C3)C2)CC1 ZINC001256208322 808479492 /nfs/dbraw/zinc/47/94/92/808479492.db2.gz FGXFMFQSWZWXSO-UHFFFAOYSA-N 2 2 267.417 0.876 20 0 CCADLP Cc1[nH+]cn([C@@H](C)CC(=O)N2CCOCC2)c1CC[NH3+] ZINC001256320562 808492405 /nfs/dbraw/zinc/49/24/05/808492405.db2.gz QTSXSHNITZGOIZ-NSHDSACASA-N 2 2 280.372 0.503 20 0 CCADLP C[C@H]1C[C@@H]([NH2+][C@@H](CO)C(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC001256529131 808531433 /nfs/dbraw/zinc/53/14/33/808531433.db2.gz QVGYWFMWCMNCKB-QEJZJMRPSA-N 2 2 291.395 0.475 20 0 CCADLP C[C@H]1C[C@@H]([NH2+][C@@H](CO)C(N)=O)CC[N@H+]1Cc1ccccc1 ZINC001256529131 808531439 /nfs/dbraw/zinc/53/14/39/808531439.db2.gz QVGYWFMWCMNCKB-QEJZJMRPSA-N 2 2 291.395 0.475 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)CCN1C ZINC001256629377 808543652 /nfs/dbraw/zinc/54/36/52/808543652.db2.gz CLRXFPHVIVCEQA-PIGZVRMJSA-N 2 2 281.400 0.401 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)CCN1C ZINC001256629377 808543656 /nfs/dbraw/zinc/54/36/56/808543656.db2.gz CLRXFPHVIVCEQA-PIGZVRMJSA-N 2 2 281.400 0.401 20 0 CCADLP COC(=O)[C@@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCN1C ZINC001256629377 808543663 /nfs/dbraw/zinc/54/36/63/808543663.db2.gz CLRXFPHVIVCEQA-PIGZVRMJSA-N 2 2 281.400 0.401 20 0 CCADLP COC(=O)[C@@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCN1C ZINC001256629377 808543668 /nfs/dbraw/zinc/54/36/68/808543668.db2.gz CLRXFPHVIVCEQA-PIGZVRMJSA-N 2 2 281.400 0.401 20 0 CCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@H](C)n1cc[nH+]c1 ZINC001262009248 809148750 /nfs/dbraw/zinc/14/87/50/809148750.db2.gz PDPHLTCEQRMSQJ-RYUDHWBXSA-N 2 2 250.346 0.901 20 0 CCADLP C[N@H+](CC[C@H]1CCOC1)CC(=O)N1CC[NH+](C)CC1 ZINC001262017748 809157492 /nfs/dbraw/zinc/15/74/92/809157492.db2.gz KYYCXKBOXQEFBH-ZDUSSCGKSA-N 2 2 269.389 0.119 20 0 CCADLP C[N@@H+](CC[C@H]1CCOC1)CC(=O)N1CC[NH+](C)CC1 ZINC001262017748 809157497 /nfs/dbraw/zinc/15/74/97/809157497.db2.gz KYYCXKBOXQEFBH-ZDUSSCGKSA-N 2 2 269.389 0.119 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC001262094389 809189224 /nfs/dbraw/zinc/18/92/24/809189224.db2.gz HOSQCPVOJQGXRV-NSHDSACASA-N 2 2 265.361 0.833 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](N3C(=O)NC4(CC4)C3=O)C2)CC1 ZINC001262199298 809237677 /nfs/dbraw/zinc/23/76/77/809237677.db2.gz JHBSZFDJKAQTOB-GFCCVEGCSA-N 2 2 292.383 0.239 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](N3C(=O)NC4(CC4)C3=O)C2)CC1 ZINC001262199298 809237681 /nfs/dbraw/zinc/23/76/81/809237681.db2.gz JHBSZFDJKAQTOB-GFCCVEGCSA-N 2 2 292.383 0.239 20 0 CCADLP C[C@@H]1C[N@H+](CCCF)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616500 815284359 /nfs/dbraw/zinc/28/43/59/815284359.db2.gz DFMQHNLKQYOBKA-CHWSQXEVSA-N 2 2 282.363 0.927 20 0 CCADLP C[C@@H]1C[N@@H+](CCCF)C[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001102616500 815284367 /nfs/dbraw/zinc/28/43/67/815284367.db2.gz DFMQHNLKQYOBKA-CHWSQXEVSA-N 2 2 282.363 0.927 20 0 CCADLP [NH3+][C@H](CC(=O)N1C[C@H]([NH3+])Cc2ccccc21)C(F)F ZINC001263130036 809454377 /nfs/dbraw/zinc/45/43/77/809454377.db2.gz IROFGBCBGRFZBX-NXEZZACHSA-N 2 2 269.295 0.886 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]([NH3+])C1CCC1 ZINC001263198695 809479217 /nfs/dbraw/zinc/47/92/17/809479217.db2.gz HNPOBQRXMQSBAS-OLZOCXBDSA-N 2 2 269.389 0.341 20 0 CCADLP CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001076462429 815300724 /nfs/dbraw/zinc/30/07/24/815300724.db2.gz URRWRCYTAFUDGZ-WCQYABFASA-N 2 2 262.357 0.515 20 0 CCADLP CC[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001076462429 815300731 /nfs/dbraw/zinc/30/07/31/815300731.db2.gz URRWRCYTAFUDGZ-WCQYABFASA-N 2 2 262.357 0.515 20 0 CCADLP COCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001264424600 809655324 /nfs/dbraw/zinc/65/53/24/809655324.db2.gz MWMMQEHFFVOVGW-FDYHWXHSSA-N 2 2 292.383 0.644 20 0 CCADLP COCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001264424600 809655328 /nfs/dbraw/zinc/65/53/28/809655328.db2.gz MWMMQEHFFVOVGW-FDYHWXHSSA-N 2 2 292.383 0.644 20 0 CCADLP CC(C)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001076633271 815323014 /nfs/dbraw/zinc/32/30/14/815323014.db2.gz GKJUIMXLTNNCKV-QWHCGFSZSA-N 2 2 262.357 0.824 20 0 CCADLP CC(C)[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001076633271 815323019 /nfs/dbraw/zinc/32/30/19/815323019.db2.gz GKJUIMXLTNNCKV-QWHCGFSZSA-N 2 2 262.357 0.824 20 0 CCADLP CCOCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001265792854 809854893 /nfs/dbraw/zinc/85/48/93/809854893.db2.gz WLDUMPOVXINTRO-CHWSQXEVSA-N 2 2 294.399 0.576 20 0 CCADLP COC[C@H](C)[NH2+][C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001265829718 809867210 /nfs/dbraw/zinc/86/72/10/809867210.db2.gz GQMOZYGQXKJNBZ-UWVGGRQHSA-N 2 2 254.334 0.081 20 0 CCADLP C[NH+](C)CCCCC(=O)N1CC[C@H]([NH2+]Cc2cnon2)C1 ZINC001265941771 809900233 /nfs/dbraw/zinc/90/02/33/809900233.db2.gz JTTFYKOYMHKGMM-LBPRGKRZSA-N 2 2 295.387 0.492 20 0 CCADLP COCC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266075263 809930803 /nfs/dbraw/zinc/93/08/03/809930803.db2.gz KRUNHNLLEYCYKL-CHWSQXEVSA-N 2 2 294.399 0.924 20 0 CCADLP CC[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)C[C@@H]1CCOC1 ZINC001266089453 809933747 /nfs/dbraw/zinc/93/37/47/809933747.db2.gz LRICOHZZOFNYCQ-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP CC[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)C[C@@H]1CCOC1 ZINC001266089453 809933751 /nfs/dbraw/zinc/93/37/51/809933751.db2.gz LRICOHZZOFNYCQ-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC([N@H+](CCO)CCF)CC1 ZINC001098582693 811266652 /nfs/dbraw/zinc/26/66/52/811266652.db2.gz ZNJRCIIUNDFFJY-UHFFFAOYSA-N 2 2 298.362 0.138 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC([N@@H+](CCO)CCF)CC1 ZINC001098582693 811266659 /nfs/dbraw/zinc/26/66/59/811266659.db2.gz ZNJRCIIUNDFFJY-UHFFFAOYSA-N 2 2 298.362 0.138 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+]CC(C)C ZINC001267461375 811327271 /nfs/dbraw/zinc/32/72/71/811327271.db2.gz NSRMJAWCCXIQEV-UHFFFAOYSA-N 2 2 252.362 0.965 20 0 CCADLP CN(CC[NH2+]CCOC1CCC1)C(=O)Cn1cc[nH+]c1 ZINC001267477325 811361184 /nfs/dbraw/zinc/36/11/84/811361184.db2.gz AANYCROMXUVJMG-UHFFFAOYSA-N 2 2 280.372 0.500 20 0 CCADLP 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Cc1cc(-c2noc([C@H]3C[NH2+]C[C@@H]3[NH3+])n2)cnc1C ZINC001211755689 812671005 /nfs/dbraw/zinc/67/10/05/812671005.db2.gz ZNKVQKDWHVGUAE-QWRGUYRKSA-N 2 2 259.313 0.763 20 0 CCADLP COc1cncc(-c2noc([C@H]3C[NH2+]C[C@@H]3[NH3+])n2)c1 ZINC001211757467 812682980 /nfs/dbraw/zinc/68/29/80/812682980.db2.gz AISNBRCTFWYHSW-UWVGGRQHSA-N 2 2 261.285 0.154 20 0 CCADLP CCN(CC[NH2+]Cc1nnc(C)o1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001268497312 812710481 /nfs/dbraw/zinc/71/04/81/812710481.db2.gz LGNKWFUMZGEHCM-LBPRGKRZSA-N 2 2 295.387 0.268 20 0 CCADLP CCN(CC[NH2+]Cc1nnc(C)o1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268497312 812710484 /nfs/dbraw/zinc/71/04/84/812710484.db2.gz LGNKWFUMZGEHCM-LBPRGKRZSA-N 2 2 295.387 0.268 20 0 CCADLP CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075645085 812781789 /nfs/dbraw/zinc/78/17/89/812781789.db2.gz OEPDEIOXQGPYCH-BFHYXJOUSA-N 2 2 281.400 0.260 20 0 CCADLP CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075645085 812781794 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0.177 20 0 CCADLP CN(C)CC[N@H+]1CCC2(CN(C(=O)C3([NH+](C)C)CC3)C2)C1 ZINC001272308254 816294292 /nfs/dbraw/zinc/29/42/92/816294292.db2.gz WEUAFFREZIWCSH-UHFFFAOYSA-N 2 2 294.443 0.177 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001030955104 816496619 /nfs/dbraw/zinc/49/66/19/816496619.db2.gz DNWWXQGUMFYITD-NEPJUHHUSA-N 2 2 269.389 0.306 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001030955104 816496627 /nfs/dbraw/zinc/49/66/27/816496627.db2.gz DNWWXQGUMFYITD-NEPJUHHUSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NC2CN(Cc3c[nH+]cn3C)C2)C1 ZINC001030960097 816508698 /nfs/dbraw/zinc/50/86/98/816508698.db2.gz PCHZHSWEXJCROU-LBPRGKRZSA-N 2 2 291.399 0.062 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)NC2CN(Cc3c[nH+]cn3C)C2)C1 ZINC001030960097 816508704 /nfs/dbraw/zinc/50/87/04/816508704.db2.gz PCHZHSWEXJCROU-LBPRGKRZSA-N 2 2 291.399 0.062 20 0 CCADLP CC[NH+]1CC(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001031188468 816766733 /nfs/dbraw/zinc/76/67/33/816766733.db2.gz NSHCMVQVCGTVFI-UHFFFAOYSA-N 2 2 253.390 0.927 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)NC2C[NH+](Cc3ccccc3)C2)C1 ZINC001031386049 817018440 /nfs/dbraw/zinc/01/84/40/817018440.db2.gz VRJHUBLYUGVCAF-AWEZNQCLSA-N 2 2 273.380 0.939 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)NC2C[NH+](Cc3ccccc3)C2)C1 ZINC001031386049 817018444 /nfs/dbraw/zinc/01/84/44/817018444.db2.gz VRJHUBLYUGVCAF-AWEZNQCLSA-N 2 2 273.380 0.939 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC1C[NH+](CC[C@@H](C)F)C1 ZINC001031391968 817027158 /nfs/dbraw/zinc/02/71/58/817027158.db2.gz PTHCSAHLJDUILR-SNVBAGLBSA-N 2 2 268.336 0.740 20 0 CCADLP C[C@H]1C[C@H](C[NH+]2CC(NC(=O)Cn3cc[nH+]c3)C2)CCO1 ZINC001031476619 817073158 /nfs/dbraw/zinc/07/31/58/817073158.db2.gz YMCYPYHNJJLNPZ-QWHCGFSZSA-N 2 2 292.383 0.499 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](C/C=C/Cl)C1 ZINC001031585215 817165224 /nfs/dbraw/zinc/16/52/24/817165224.db2.gz SCJFEPCTHRVBCX-OGOUPESXSA-N 2 2 271.792 0.881 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](C/C=C/Cl)C1 ZINC001031585215 817165225 /nfs/dbraw/zinc/16/52/25/817165225.db2.gz SCJFEPCTHRVBCX-OGOUPESXSA-N 2 2 271.792 0.881 20 0 CCADLP CC1(C)C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@H+](CCO)C1 ZINC001089504877 817173162 /nfs/dbraw/zinc/17/31/62/817173162.db2.gz DNLYZFLJCRUWCC-LBPRGKRZSA-N 2 2 294.399 0.551 20 0 CCADLP CC1(C)C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@@H+](CCO)C1 ZINC001089504877 817173168 /nfs/dbraw/zinc/17/31/68/817173168.db2.gz DNLYZFLJCRUWCC-LBPRGKRZSA-N 2 2 294.399 0.551 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]CC=C(Cl)Cl)C1 ZINC001125222783 817730097 /nfs/dbraw/zinc/73/00/97/817730097.db2.gz XLPCERNGOBEMDI-VIFPVBQESA-N 2 2 296.198 0.342 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]CC=C(Cl)Cl)C1 ZINC001125222783 817730098 /nfs/dbraw/zinc/73/00/98/817730098.db2.gz XLPCERNGOBEMDI-VIFPVBQESA-N 2 2 296.198 0.342 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)NCC[NH2+]CCCF ZINC001127785102 817869254 /nfs/dbraw/zinc/86/92/54/817869254.db2.gz FXERUPVIHKWORS-UHFFFAOYSA-N 2 2 282.363 0.827 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CCC2)C1 ZINC001032332259 817888595 /nfs/dbraw/zinc/88/85/95/817888595.db2.gz RZSVISPKAMULNV-KKUMJFAQSA-N 2 2 293.411 0.402 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CCC2)C1 ZINC001032332259 817888600 /nfs/dbraw/zinc/88/86/00/817888600.db2.gz RZSVISPKAMULNV-KKUMJFAQSA-N 2 2 293.411 0.402 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CCC2)C1 ZINC001032332259 817888608 /nfs/dbraw/zinc/88/86/08/817888608.db2.gz RZSVISPKAMULNV-KKUMJFAQSA-N 2 2 293.411 0.402 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CCC2)C1 ZINC001032332259 817888618 /nfs/dbraw/zinc/88/86/18/817888618.db2.gz RZSVISPKAMULNV-KKUMJFAQSA-N 2 2 293.411 0.402 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@H]([NH2+]CCF)C12CCC2 ZINC001078830364 818056694 /nfs/dbraw/zinc/05/66/94/818056694.db2.gz XZJIEOGDQVZKHD-NWDGAFQWSA-N 2 2 280.347 0.870 20 0 CCADLP COC(=O)c1cnc(NC(=[NH2+])N2CC[NH+](C)CC2)c(C)n1 ZINC001168735081 818534131 /nfs/dbraw/zinc/53/41/31/818534131.db2.gz HGOIFEWFMQATLU-UHFFFAOYSA-N 2 2 292.343 0.166 20 0 CCADLP COc1nccc(NC(=[NH2+])N2CC[NH+](C)CC2)c1N ZINC001168735854 818540124 /nfs/dbraw/zinc/54/01/24/818540124.db2.gz GTDYFMBIGCARFH-UHFFFAOYSA-N 2 2 264.333 0.266 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccnc3ccncc32)CC1 ZINC001168736619 818549761 /nfs/dbraw/zinc/54/97/61/818549761.db2.gz OKIJSEHNHSQMAM-UHFFFAOYSA-N 2 2 270.340 0.646 20 0 CCADLP CN(C)c1ncc(NC(=[NH2+])N2CC[NH+](C)CC2)cn1 ZINC001168736759 818551713 /nfs/dbraw/zinc/55/17/13/818551713.db2.gz KEKJUGNQCXMPOI-UHFFFAOYSA-N 2 2 263.349 0.137 20 0 CCADLP COC(=O)c1nc(NC(=[NH2+])N2CC[NH+](C)CC2)ccc1C ZINC001168737234 818561226 /nfs/dbraw/zinc/56/12/26/818561226.db2.gz XUZFIYZGSXARFJ-UHFFFAOYSA-N 2 2 291.355 0.771 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC001168737438 818565316 /nfs/dbraw/zinc/56/53/16/818565316.db2.gz XEIIXJISNBCURR-UHFFFAOYSA-N 3 2 259.357 0.884 20 0 CCADLP COCC[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033589746 818840586 /nfs/dbraw/zinc/84/05/86/818840586.db2.gz NENXNGSUUIOPJS-LBPRGKRZSA-N 2 2 280.372 0.142 20 0 CCADLP COCC[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033589746 818840590 /nfs/dbraw/zinc/84/05/90/818840590.db2.gz NENXNGSUUIOPJS-LBPRGKRZSA-N 2 2 280.372 0.142 20 0 CCADLP COC(=O)C1(C)CCC(NC(=[NH2+])N2CC[NH+](C)CC2)CC1 ZINC001168752990 819012500 /nfs/dbraw/zinc/01/25/00/819012500.db2.gz YIYGKBYXTKBPCK-UHFFFAOYSA-N 2 2 296.415 0.880 20 0 CCADLP C[C@H](O)C[N@@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547456 819240471 /nfs/dbraw/zinc/24/04/71/819240471.db2.gz QTQDLFVICLLNDI-STQMWFEESA-N 2 2 280.372 0.235 20 0 CCADLP C[C@H](O)C[N@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547456 819240478 /nfs/dbraw/zinc/24/04/78/819240478.db2.gz QTQDLFVICLLNDI-STQMWFEESA-N 2 2 280.372 0.235 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]1C[NH2+]CC1CC1 ZINC001035063430 819386865 /nfs/dbraw/zinc/38/68/65/819386865.db2.gz UPIVLDBMMJETQV-CYBMUJFWSA-N 2 2 262.357 0.943 20 0 CCADLP Cn1nc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1Cl ZINC000706150518 819614643 /nfs/dbraw/zinc/61/46/43/819614643.db2.gz CKSKVUJEVFUVDE-JTQLQIEISA-N 2 2 299.806 0.360 20 0 CCADLP Cn1nc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1Cl ZINC000706150518 819614646 /nfs/dbraw/zinc/61/46/46/819614646.db2.gz CKSKVUJEVFUVDE-JTQLQIEISA-N 2 2 299.806 0.360 20 0 CCADLP Cc1cnc(C[NH+]2CCC(O)(C[NH+](C)C)CC2)o1 ZINC000710608866 819857399 /nfs/dbraw/zinc/85/73/99/819857399.db2.gz YOXAPBDMNVLLJD-UHFFFAOYSA-N 2 2 253.346 0.872 20 0 CCADLP COC1(OC)CC[C@@H]1[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000711041924 819877718 /nfs/dbraw/zinc/87/77/18/819877718.db2.gz OUMVMBMURNQJSE-UPJWGTAASA-N 2 2 270.373 0.591 20 0 CCADLP COC1(OC)CC[C@@H]1[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000711041924 819877730 /nfs/dbraw/zinc/87/77/30/819877730.db2.gz OUMVMBMURNQJSE-UPJWGTAASA-N 2 2 270.373 0.591 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CC[NH2+]CCF ZINC001273148961 819979891 /nfs/dbraw/zinc/97/98/91/819979891.db2.gz DBPMSTKIIFRASZ-SECBINFHSA-N 2 2 256.325 0.715 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711335371 820006388 /nfs/dbraw/zinc/00/63/88/820006388.db2.gz QQHJTUPOQXIQOA-VXGBXAGGSA-N 2 2 269.389 0.069 20 0 CCADLP C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000711676258 820071434 /nfs/dbraw/zinc/07/14/34/820071434.db2.gz SVVQJMXYSOUOLJ-VOAKCMCISA-N 2 2 272.414 0.636 20 0 CCADLP C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000711676258 820071445 /nfs/dbraw/zinc/07/14/45/820071445.db2.gz SVVQJMXYSOUOLJ-VOAKCMCISA-N 2 2 272.414 0.636 20 0 CCADLP CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001082601742 821004123 /nfs/dbraw/zinc/00/41/23/821004123.db2.gz SUYKKNABIQOECG-MBNYWOFBSA-N 2 2 276.384 0.902 20 0 CCADLP CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001082604282 821004394 /nfs/dbraw/zinc/00/43/94/821004394.db2.gz KIJHXJQIPITFIK-MBNYWOFBSA-N 2 2 276.384 0.902 20 0 CCADLP CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C1 ZINC001084471619 821292879 /nfs/dbraw/zinc/29/28/79/821292879.db2.gz DGZWGCKFMSTTFQ-BXUZGUMPSA-N 2 2 292.383 0.902 20 0 CCADLP CC[C@@H](C(=O)NCCC[NH2+][C@H](C)c1noc(C)n1)[NH+](C)C ZINC001166858322 821339414 /nfs/dbraw/zinc/33/94/14/821339414.db2.gz PJZNHIZJSMJTBQ-PWSUYJOCSA-N 2 2 297.403 0.875 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[NH+](C)C)c[nH+]1 ZINC000823701078 821533586 /nfs/dbraw/zinc/53/35/86/821533586.db2.gz JLGGNVILJIPSNF-NSHDSACASA-N 2 2 252.362 0.993 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCF ZINC001085394364 821677389 /nfs/dbraw/zinc/67/73/89/821677389.db2.gz IOYOUFUUGZBLFB-CHWSQXEVSA-N 2 2 282.363 0.949 20 0 CCADLP CN(C[C@@H]1CC[N@@H+]1CCO)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001085639583 821866713 /nfs/dbraw/zinc/86/67/13/821866713.db2.gz ROIXNKQSISTNRP-QWHCGFSZSA-N 2 2 292.383 0.286 20 0 CCADLP CN(C[C@@H]1CC[N@H+]1CCO)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001085639583 821866718 /nfs/dbraw/zinc/86/67/18/821866718.db2.gz ROIXNKQSISTNRP-QWHCGFSZSA-N 2 2 292.383 0.286 20 0 CCADLP CN(C[C@@H]1CC[N@@H+]1CCO)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085672995 821889895 /nfs/dbraw/zinc/88/98/95/821889895.db2.gz MYTZIKDFEZWMTI-LBPRGKRZSA-N 2 2 288.351 0.702 20 0 CCADLP CN(C[C@@H]1CC[N@H+]1CCO)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085672995 821889910 /nfs/dbraw/zinc/88/99/10/821889910.db2.gz MYTZIKDFEZWMTI-LBPRGKRZSA-N 2 2 288.351 0.702 20 0 CCADLP CC[N@H+](CCF)[C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001155856825 822264984 /nfs/dbraw/zinc/26/49/84/822264984.db2.gz NXKZOEKGWJBFCE-CYBMUJFWSA-N 2 2 289.395 0.505 20 0 CCADLP CC[N@@H+](CCF)[C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001155856825 822264991 /nfs/dbraw/zinc/26/49/91/822264991.db2.gz NXKZOEKGWJBFCE-CYBMUJFWSA-N 2 2 289.395 0.505 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CCCC(=O)[C@H](F)C2)cc1 ZINC001157853663 837499206 /nfs/dbraw/zinc/49/92/06/837499206.db2.gz JUCAPELJTSAIQZ-OLZOCXBDSA-N 2 2 293.342 0.788 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@@H](C2CC2)[NH+](C)C)o1 ZINC001129444798 837506013 /nfs/dbraw/zinc/50/60/13/837506013.db2.gz XZQZFKGPUITGAP-JOYOIKCWSA-N 2 2 295.387 0.485 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@@H](C2CC2)[NH+](C)C)o1 ZINC001129444796 837506448 /nfs/dbraw/zinc/50/64/48/837506448.db2.gz XZQZFKGPUITGAP-BXKDBHETSA-N 2 2 295.387 0.485 20 0 CCADLP CN(C)c1ccnc(NC(=[NH2+])N2CC[NH+](C)CC2)c1 ZINC001157914656 837693540 /nfs/dbraw/zinc/69/35/40/837693540.db2.gz DMMRJNQQKIUGMI-UHFFFAOYSA-N 2 2 262.361 0.742 20 0 CCADLP CCc1nnc([C@H](C)[NH2+]CCNC(=O)[C@@H](CC)[NH+](C)C)[nH]1 ZINC001130203329 837725952 /nfs/dbraw/zinc/72/59/52/837725952.db2.gz JGOQEQRXSMULMK-WDEREUQCSA-N 2 2 296.419 0.474 20 0 CCADLP O=C(NCC[NH2+]CCF)c1cc2c[nH+]ccc2[nH]1 ZINC001130265890 837745634 /nfs/dbraw/zinc/74/56/34/837745634.db2.gz CVVGUANVTPXQKG-UHFFFAOYSA-N 2 2 250.277 0.852 20 0 CCADLP COC[C@@H](C)[NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001130268802 837745936 /nfs/dbraw/zinc/74/59/36/837745936.db2.gz JPMFONKVOUNTTI-SNVBAGLBSA-N 2 2 276.340 0.917 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1cnsn1 ZINC001130297990 837754045 /nfs/dbraw/zinc/75/40/45/837754045.db2.gz UYQHKIXJBADQIU-LLVKDONJSA-N 2 2 283.401 0.228 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1cnsn1 ZINC001130297990 837754053 /nfs/dbraw/zinc/75/40/53/837754053.db2.gz UYQHKIXJBADQIU-LLVKDONJSA-N 2 2 283.401 0.228 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)[C@H]2CCCC[N@H+]2C)oc1C ZINC001130298227 837755480 /nfs/dbraw/zinc/75/54/80/837755480.db2.gz YYPSFDKBFXCZFZ-CYBMUJFWSA-N 2 2 294.399 0.982 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)[C@H]2CCCC[N@@H+]2C)oc1C ZINC001130298227 837755482 /nfs/dbraw/zinc/75/54/82/837755482.db2.gz YYPSFDKBFXCZFZ-CYBMUJFWSA-N 2 2 294.399 0.982 20 0 CCADLP O=C(NCC[NH2+]C/C=C\Cl)[C@H]1CCn2c[nH+]cc2C1 ZINC001130407842 837786856 /nfs/dbraw/zinc/78/68/56/837786856.db2.gz YYXZFXBQSFWWKQ-DGWOPVBCSA-N 2 2 282.775 0.904 20 0 CCADLP CC(C)[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130406640 837787062 /nfs/dbraw/zinc/78/70/62/837787062.db2.gz CJKUORHGKNKIMN-LLVKDONJSA-N 2 2 250.346 0.560 20 0 CCADLP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+][C@@H](C)c1nc(C)no1 ZINC001130422121 837788061 /nfs/dbraw/zinc/78/80/61/837788061.db2.gz XNAOHIMRDZFUKO-JTQLQIEISA-N 2 2 297.403 0.875 20 0 CCADLP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+][C@@H](C)c1nc(C)no1 ZINC001130422121 837788071 /nfs/dbraw/zinc/78/80/71/837788071.db2.gz XNAOHIMRDZFUKO-JTQLQIEISA-N 2 2 297.403 0.875 20 0 CCADLP O=C(NCC[NH2+]Cc1ccccn1)[C@H]1CCc2c[nH+]cn2C1 ZINC001130484158 837808808 /nfs/dbraw/zinc/80/88/08/837808808.db2.gz GGBFFADLPBRRBU-ZDUSSCGKSA-N 2 2 299.378 0.747 20 0 CCADLP C[C@@H](F)CC[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130484780 837809460 /nfs/dbraw/zinc/80/94/60/837809460.db2.gz VSSMADGPFYAPDY-VXGBXAGGSA-N 2 2 282.363 0.899 20 0 CCADLP COC[C@H](C)[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130488362 837811553 /nfs/dbraw/zinc/81/15/53/837811553.db2.gz PUFJDSMXEWDAJE-RYUDHWBXSA-N 2 2 280.372 0.186 20 0 CCADLP C[C@@H]1C[N@H+](Cc2cn3c(n2)C[NH2+]CC3)CCC[C@H]1C[NH3+] ZINC001205994877 836031985 /nfs/dbraw/zinc/03/19/85/836031985.db2.gz MVRYDEOYWKTJCZ-OLZOCXBDSA-N 3 2 277.416 0.793 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2cn3c(n2)C[NH2+]CC3)CCC[C@H]1C[NH3+] ZINC001205994877 836032003 /nfs/dbraw/zinc/03/20/03/836032003.db2.gz MVRYDEOYWKTJCZ-OLZOCXBDSA-N 3 2 277.416 0.793 20 0 CCADLP COc1ccc(CN2CC[C@@H]([NH2+][C@@H]3C[C@H]3[NH3+])CC2=O)cc1 ZINC001168898502 836033899 /nfs/dbraw/zinc/03/38/99/836033899.db2.gz ZTUWJPGXZNOGBW-BPLDGKMQSA-N 2 2 289.379 0.875 20 0 CCADLP [NH3+]Cc1nnnn1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001168924784 836060811 /nfs/dbraw/zinc/06/08/11/836060811.db2.gz UBKQJKWYTWCLJF-UHFFFAOYSA-N 2 2 255.285 0.366 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncc2ccsc2n1 ZINC001169067328 836122622 /nfs/dbraw/zinc/12/26/22/836122622.db2.gz PWFYSCJDHRONTD-SECBINFHSA-N 2 2 275.337 0.739 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncnc2scnc21 ZINC001169066721 836122918 /nfs/dbraw/zinc/12/29/18/836122918.db2.gz GXNUHBPSUGXLID-SSDOTTSWSA-N 2 2 276.325 0.134 20 0 CCADLP Cc1nc2cccnc2c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169071209 836124159 /nfs/dbraw/zinc/12/41/59/836124159.db2.gz HPVANPWUGQCVLB-SNVBAGLBSA-N 2 2 284.323 0.381 20 0 CCADLP Cc1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c(F)n1 ZINC001169073171 836124990 /nfs/dbraw/zinc/12/49/90/836124990.db2.gz BEPAOFQBCQHQHA-SECBINFHSA-N 2 2 250.277 0.577 20 0 CCADLP COc1c(Cl)cnnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169072494 836125669 /nfs/dbraw/zinc/12/56/69/836125669.db2.gz TVRSKZMMBSQSTI-SSDOTTSWSA-N 2 2 283.719 0.186 20 0 CCADLP Cn1cnc2ccnc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)c21 ZINC001169072742 836125847 /nfs/dbraw/zinc/12/58/47/836125847.db2.gz WAVNMZNLNYVEGP-SECBINFHSA-N 2 2 272.312 0.016 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc(Cl)cn2ncnc12 ZINC001169071992 836125863 /nfs/dbraw/zinc/12/58/63/836125863.db2.gz JMJADSYKZAOWKO-SECBINFHSA-N 2 2 292.730 0.431 20 0 CCADLP Cc1ncc(Cl)nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169071328 836125933 /nfs/dbraw/zinc/12/59/33/836125933.db2.gz JZDVCBWTFMMKOY-MRVPVSSYSA-N 2 2 267.720 0.486 20 0 CCADLP CC(C)Oc1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1 ZINC001169071902 836125970 /nfs/dbraw/zinc/12/59/70/836125970.db2.gz OUZFJBUHECZLKE-LLVKDONJSA-N 2 2 276.340 0.917 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Nc2ccc3c(c2)C[NH2+]C3)C[NH2+]1 ZINC001169131094 836147340 /nfs/dbraw/zinc/14/73/40/836147340.db2.gz UTNICQMLSKUWNL-OLZOCXBDSA-N 2 2 261.325 0.605 20 0 CCADLP C[C@H](F)CC[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169203713 836159181 /nfs/dbraw/zinc/15/91/81/836159181.db2.gz AOMNJNXGZDDBEE-JTQLQIEISA-N 2 2 256.325 0.796 20 0 CCADLP CO[C@H](C)C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169203833 836159638 /nfs/dbraw/zinc/15/96/38/836159638.db2.gz BYIHNNDDBHFNOS-SNVBAGLBSA-N 2 2 254.334 0.083 20 0 CCADLP CCOC(=O)[C@H]1CC[C@@H](n2cc[nH+]c2CC[NH3+])CO1 ZINC001169317811 836195644 /nfs/dbraw/zinc/19/56/44/836195644.db2.gz CUSZSQZVYRRREA-GHMZBOCLSA-N 2 2 267.329 0.668 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]2C[NH3+])CO1 ZINC001169335457 836229489 /nfs/dbraw/zinc/22/94/89/836229489.db2.gz SCDDWWGSIJNQGK-SRVKXCTJSA-N 2 2 256.346 0.520 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CCC[C@H]2C[NH3+])CO1 ZINC001169335457 836229500 /nfs/dbraw/zinc/22/95/00/836229500.db2.gz SCDDWWGSIJNQGK-SRVKXCTJSA-N 2 2 256.346 0.520 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNc1c[nH+]c2c(c1)CCCN2 ZINC001169661514 836416103 /nfs/dbraw/zinc/41/61/03/836416103.db2.gz ZFGZEFJSTNKOTK-CYBMUJFWSA-N 2 2 262.357 0.470 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNc1c[nH+]c2c(c1)CCCN2 ZINC001169661514 836416110 /nfs/dbraw/zinc/41/61/10/836416110.db2.gz ZFGZEFJSTNKOTK-CYBMUJFWSA-N 2 2 262.357 0.470 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)C2([NH+](C)C)CCC2)nc1 ZINC001129358027 836513269 /nfs/dbraw/zinc/51/32/69/836513269.db2.gz PNHMOXCHBNXXNB-UHFFFAOYSA-N 2 2 291.399 0.475 20 0 CCADLP COCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001109384970 836668506 /nfs/dbraw/zinc/66/85/06/836668506.db2.gz VPFBLYYQSWDDMQ-RDBSUJKOSA-N 2 2 292.383 0.710 20 0 CCADLP COCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001109384970 836668514 /nfs/dbraw/zinc/66/85/14/836668514.db2.gz VPFBLYYQSWDDMQ-RDBSUJKOSA-N 2 2 292.383 0.710 20 0 CCADLP CCOCCC[NH+]1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001112808362 836919896 /nfs/dbraw/zinc/91/98/96/836919896.db2.gz ARSYPIBUCNUDHC-UHFFFAOYSA-N 2 2 294.399 0.913 20 0 CCADLP c1nc(NCC2([NH+]3CCCC3)COC2)nc2c1C[NH2+]C2 ZINC001157656188 837202692 /nfs/dbraw/zinc/20/26/92/837202692.db2.gz VPQUATZIRSJURC-UHFFFAOYSA-N 2 2 275.356 0.357 20 0 CCADLP COC(=O)c1c[nH]c2nc(NCC3C[NH+](C)C3)[nH+]cc12 ZINC001170251868 837284330 /nfs/dbraw/zinc/28/43/30/837284330.db2.gz DPKMPMULBJOSOH-UHFFFAOYSA-N 2 2 275.312 0.670 20 0 CCADLP C[C@H]1[C@@H]([NH3+])CCCN1c1cc(N2CCOCC2)[nH+]cn1 ZINC001157731929 837342340 /nfs/dbraw/zinc/34/23/40/837342340.db2.gz HAPVOOLUVWLPKX-RYUDHWBXSA-N 2 2 277.372 0.629 20 0 CCADLP CCOC(=O)[C@H](CCC[NH3+])[NH2+][C@H]1CC[C@@H](C(=O)OC)C1 ZINC001170507539 837873276 /nfs/dbraw/zinc/87/32/76/837873276.db2.gz CMRLSRUQXRNGGR-WOPDTQHZSA-N 2 2 286.372 0.588 20 0 CCADLP CCN(C)c1cc(NCCOCCOCC[NH3+])[nH+]cn1 ZINC001170509086 837876889 /nfs/dbraw/zinc/87/68/89/837876889.db2.gz UEOUIRRLJLZGOW-UHFFFAOYSA-N 2 2 283.376 0.337 20 0 CCADLP CCN(C)c1cc(NCCOCCOCC[NH3+])nc[nH+]1 ZINC001170509086 837876897 /nfs/dbraw/zinc/87/68/97/837876897.db2.gz UEOUIRRLJLZGOW-UHFFFAOYSA-N 2 2 283.376 0.337 20 0 CCADLP Cc1[nH+]ccn1-c1cc(N[C@H](C)[C@H]2C[NH2+]CCO2)ncn1 ZINC001170562744 838111636 /nfs/dbraw/zinc/11/16/36/838111636.db2.gz JJAYYSSJMBIRMT-ZYHUDNBSSA-N 2 2 288.355 0.760 20 0 CCADLP CCN(C)c1cc(N[C@H](C)[C@H]2C[NH2+]CCO2)[nH+]cn1 ZINC001170566076 838120985 /nfs/dbraw/zinc/12/09/85/838120985.db2.gz XCXMBGXDYWPIIU-GHMZBOCLSA-N 2 2 265.361 0.722 20 0 CCADLP CCN(C)c1cc(N[C@H](C)[C@H]2C[NH2+]CCO2)nc[nH+]1 ZINC001170566076 838120988 /nfs/dbraw/zinc/12/09/88/838120988.db2.gz XCXMBGXDYWPIIU-GHMZBOCLSA-N 2 2 265.361 0.722 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]Cc1ccccn1 ZINC001131640261 838163765 /nfs/dbraw/zinc/16/37/65/838163765.db2.gz ZWJXRYHJDYQGQK-UHFFFAOYSA-N 2 2 287.367 0.654 20 0 CCADLP O=C(NCC[NH2+]CCF)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001131825876 838234131 /nfs/dbraw/zinc/23/41/31/838234131.db2.gz VTLVMMVZJQWWAJ-ZDUSSCGKSA-N 2 2 287.379 0.163 20 0 CCADLP O=C(NCC[NH2+]CCF)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001131825876 838234133 /nfs/dbraw/zinc/23/41/33/838234133.db2.gz VTLVMMVZJQWWAJ-ZDUSSCGKSA-N 2 2 287.379 0.163 20 0 CCADLP C[C@@H]1C[N@H+](Cc2ccc(NS(C)(=O)=O)cc2)C[C@H]1[NH3+] ZINC001206070467 838304406 /nfs/dbraw/zinc/30/44/06/838304406.db2.gz LQSAEUPZXSLYRZ-ZWNOBZJWSA-N 2 2 283.397 0.837 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2ccc(NS(C)(=O)=O)cc2)C[C@H]1[NH3+] ZINC001206070467 838304412 /nfs/dbraw/zinc/30/44/12/838304412.db2.gz LQSAEUPZXSLYRZ-ZWNOBZJWSA-N 2 2 283.397 0.837 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@H+]1CCO ZINC001132028824 838306671 /nfs/dbraw/zinc/30/66/71/838306671.db2.gz BYVYHWKMUURHRZ-VXGBXAGGSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C[NH2+]CCO ZINC001132781492 838493689 /nfs/dbraw/zinc/49/36/89/838493689.db2.gz CJLDITDYJGFAOU-OLZOCXBDSA-N 2 2 294.399 0.409 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)C2(C[NH+](C)C)CC2)oc1C ZINC001132993055 838533290 /nfs/dbraw/zinc/53/32/90/838533290.db2.gz LOXNRGKDAKKKRC-UHFFFAOYSA-N 2 2 294.399 0.839 20 0 CCADLP COCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001133135624 838559725 /nfs/dbraw/zinc/55/97/25/838559725.db2.gz UYPUQIVDVLKIPS-STQMWFEESA-N 2 2 294.399 0.673 20 0 CCADLP C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C[NH2+]CCO ZINC001133194771 838573278 /nfs/dbraw/zinc/57/32/78/838573278.db2.gz KMQGRJVKAWGQIT-RYUDHWBXSA-N 2 2 280.372 0.019 20 0 CCADLP COCCC[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001133655141 838689236 /nfs/dbraw/zinc/68/92/36/838689236.db2.gz YHABWPRRFKGXJE-NSHDSACASA-N 2 2 280.372 0.572 20 0 CCADLP COCC[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001133664716 838691573 /nfs/dbraw/zinc/69/15/73/838691573.db2.gz YIUUYXROKXOEKR-JTQLQIEISA-N 2 2 266.345 0.182 20 0 CCADLP Cc1nonc1C[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133893685 838766661 /nfs/dbraw/zinc/76/66/61/838766661.db2.gz LWAWVTQWSCUVQA-UHFFFAOYSA-N 2 2 295.387 0.316 20 0 CCADLP Cc1nonc1C[NH2+]CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001133893685 838766670 /nfs/dbraw/zinc/76/66/70/838766670.db2.gz LWAWVTQWSCUVQA-UHFFFAOYSA-N 2 2 295.387 0.316 20 0 CCADLP CO[C@H](C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1)C1CCC1 ZINC001134397100 838967291 /nfs/dbraw/zinc/96/72/91/838967291.db2.gz IZSIMQYJEHUTAR-CYBMUJFWSA-N 2 2 280.372 0.473 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]C[C@@H]1C[C@]12CCOC2 ZINC001134396918 838967397 /nfs/dbraw/zinc/96/73/97/838967397.db2.gz IGOOSYODMAKKOJ-FZMZJTMJSA-N 2 2 278.356 0.085 20 0 CCADLP C[C@H](CC(=O)NCC[NH2+]CCn1cccn1)n1cc[nH+]c1 ZINC001134499027 838994192 /nfs/dbraw/zinc/99/41/92/838994192.db2.gz UTGSPMAYXPDMDR-CYBMUJFWSA-N 2 2 290.371 0.437 20 0 CCADLP CCOCC[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001135072554 839150744 /nfs/dbraw/zinc/15/07/44/839150744.db2.gz ZWWIZBATZUGMEQ-NSHDSACASA-N 2 2 268.361 0.331 20 0 CCADLP CCOCC[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001135072554 839150754 /nfs/dbraw/zinc/15/07/54/839150754.db2.gz ZWWIZBATZUGMEQ-NSHDSACASA-N 2 2 268.361 0.331 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CC[C@H]1CCOC1 ZINC001135080443 839158792 /nfs/dbraw/zinc/15/87/92/839158792.db2.gz UCYOQBPZMXPLBB-OLZOCXBDSA-N 2 2 294.399 0.721 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]CC[C@H]1CCOC1 ZINC001135080443 839158795 /nfs/dbraw/zinc/15/87/95/839158795.db2.gz UCYOQBPZMXPLBB-OLZOCXBDSA-N 2 2 294.399 0.721 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C[NH2+]CCO ZINC001185372485 844411383 /nfs/dbraw/zinc/41/13/83/844411383.db2.gz YCGZXMPNOPOQPR-NEPJUHHUSA-N 2 2 280.372 0.019 20 0 CCADLP CCCCCC[N@H+](C)CC(=O)NCC[NH2+]Cc1cnon1 ZINC001135436864 839249467 /nfs/dbraw/zinc/24/94/67/839249467.db2.gz DCWCKKKNGHFJDX-UHFFFAOYSA-N 2 2 297.403 0.788 20 0 CCADLP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1cnon1 ZINC001135436864 839249473 /nfs/dbraw/zinc/24/94/73/839249473.db2.gz DCWCKKKNGHFJDX-UHFFFAOYSA-N 2 2 297.403 0.788 20 0 CCADLP CC[NH+](CC)[C@@H](C(=O)NCC[NH2+]Cc1cnon1)C(C)C ZINC001135474410 839256828 /nfs/dbraw/zinc/25/68/28/839256828.db2.gz PIRPQNBQCMTQMV-CYBMUJFWSA-N 2 2 297.403 0.642 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[NH2+][C@@H](C)c1csnn1 ZINC001135511203 839278554 /nfs/dbraw/zinc/27/85/54/839278554.db2.gz LVWGTBDFQAQWBB-JTQLQIEISA-N 2 2 285.417 0.647 20 0 CCADLP C[C@H](C[C@@H](C)[NH2+]CCCO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135799243 839418441 /nfs/dbraw/zinc/41/84/41/839418441.db2.gz UHHLBKAMWXATNG-GHMZBOCLSA-N 2 2 268.361 0.208 20 0 CCADLP COCCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001135944351 839475713 /nfs/dbraw/zinc/47/57/13/839475713.db2.gz IRSPUECGWRGXHP-OLZOCXBDSA-N 2 2 296.415 0.872 20 0 CCADLP [NH3+]CCC[C@@H]([NH3+])Nc1c[nH+]ccc1N1CCOCC1 ZINC001170899448 839548365 /nfs/dbraw/zinc/54/83/65/839548365.db2.gz CDSINUAISTUHIM-ZDUSSCGKSA-N 3 2 265.361 0.354 20 0 CCADLP COC(=O)c1nc2nc(N[C@@H]([NH3+])CCC[NH3+])ccc2[nH]1 ZINC001170900695 839550639 /nfs/dbraw/zinc/55/06/39/839550639.db2.gz OLKYMHDNVNNBOV-MRVPVSSYSA-N 2 2 278.316 0.180 20 0 CCADLP C([NH2+][C@@H]1CCC[NH2+]CC1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001246127703 839634521 /nfs/dbraw/zinc/63/45/21/839634521.db2.gz OXKVFMMOBQJTFJ-ZIAGYGMSSA-N 3 2 266.433 0.592 20 0 CCADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC3(CC[NH2+]CC3)O2)C[NH2+]1 ZINC001246133598 839637317 /nfs/dbraw/zinc/63/73/17/839637317.db2.gz PXQOZUUCFQBPNX-JHJVBQTASA-N 3 2 253.390 0.628 20 0 CCADLP CS(=O)(=O)c1ccc(CC[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC001246165044 839657567 /nfs/dbraw/zinc/65/75/67/839657567.db2.gz DLWWPUBSKAAQBS-ZDUSSCGKSA-N 2 2 282.409 0.974 20 0 CCADLP Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000112839302 839701943 /nfs/dbraw/zinc/70/19/43/839701943.db2.gz WVRVTRHEJGMVTM-CHWSQXEVSA-N 2 2 264.373 0.979 20 0 CCADLP Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000112839302 839701951 /nfs/dbraw/zinc/70/19/51/839701951.db2.gz WVRVTRHEJGMVTM-CHWSQXEVSA-N 2 2 264.373 0.979 20 0 CCADLP CC1(C)CC([NH2+][C@@H]2C[NH2+]C[C@H]2CO)CC(C)(C)N1O ZINC001246306496 839777955 /nfs/dbraw/zinc/77/79/55/839777955.db2.gz KPXLMWNIPPRGRO-CMPLNLGQSA-N 2 2 271.405 0.567 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCCF)C[C@H]1O ZINC001090763745 839785095 /nfs/dbraw/zinc/78/50/95/839785095.db2.gz LHFHXEJTKQRZNH-WCQYABFASA-N 2 2 298.362 0.172 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCCF)C[C@H]1O ZINC001090763745 839785102 /nfs/dbraw/zinc/78/51/02/839785102.db2.gz LHFHXEJTKQRZNH-WCQYABFASA-N 2 2 298.362 0.172 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001090763807 839786204 /nfs/dbraw/zinc/78/62/04/839786204.db2.gz MGAJPQWVLNPHAO-AAEUAGOBSA-N 2 2 280.372 0.222 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001090763807 839786208 /nfs/dbraw/zinc/78/62/08/839786208.db2.gz MGAJPQWVLNPHAO-AAEUAGOBSA-N 2 2 280.372 0.222 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]CCOCC2CC2)C1 ZINC001185924938 844475696 /nfs/dbraw/zinc/47/56/96/844475696.db2.gz HQENUVUQCHXFPZ-CYBMUJFWSA-N 2 2 292.383 0.569 20 0 CCADLP CC(C)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090851076 839854628 /nfs/dbraw/zinc/85/46/28/839854628.db2.gz YKNKZUIZEAKSMT-STQMWFEESA-N 2 2 280.372 0.091 20 0 CCADLP CC(C)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090851076 839854629 /nfs/dbraw/zinc/85/46/29/839854629.db2.gz YKNKZUIZEAKSMT-STQMWFEESA-N 2 2 280.372 0.091 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N(CCO)Cc1cccs1 ZINC001160443036 839884132 /nfs/dbraw/zinc/88/41/32/839884132.db2.gz AQQRBXRFTMUMOE-GFCCVEGCSA-N 2 2 294.380 0.362 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N(CCO)Cc1cccs1 ZINC001160443037 839884392 /nfs/dbraw/zinc/88/43/92/839884392.db2.gz AQQRBXRFTMUMOE-LBPRGKRZSA-N 2 2 294.380 0.362 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@](C)([NH3+])C2)CCN1 ZINC001246529775 839894983 /nfs/dbraw/zinc/89/49/83/839894983.db2.gz LTPGZHQNRQMRCG-MDZLAQPJSA-N 2 2 255.362 0.093 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@](C)([NH3+])C2)CCN1 ZINC001246529775 839894985 /nfs/dbraw/zinc/89/49/85/839894985.db2.gz LTPGZHQNRQMRCG-MDZLAQPJSA-N 2 2 255.362 0.093 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]CCCF ZINC001171236824 840173011 /nfs/dbraw/zinc/17/30/11/840173011.db2.gz DKTUFNDNGUMUQD-UHFFFAOYSA-N 2 2 256.325 0.418 20 0 CCADLP C[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)CNC(=O)CO3)C[NH2+]1 ZINC001246880002 840388913 /nfs/dbraw/zinc/38/89/13/840388913.db2.gz OABFOEANSLOZPN-VXGBXAGGSA-N 2 2 267.373 0.108 20 0 CCADLP CO[C@@H](C[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C)C1CCC1 ZINC001149123318 840448104 /nfs/dbraw/zinc/44/81/04/840448104.db2.gz JMDKUOYCRPVKPQ-AWEZNQCLSA-N 2 2 294.399 0.782 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC001147455996 840601430 /nfs/dbraw/zinc/60/14/30/840601430.db2.gz BHKUEXRAQVVYDV-NWDGAFQWSA-N 2 2 250.346 0.730 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC001147455996 840601434 /nfs/dbraw/zinc/60/14/34/840601434.db2.gz BHKUEXRAQVVYDV-NWDGAFQWSA-N 2 2 250.346 0.730 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CCC1CC1 ZINC001147871753 840709123 /nfs/dbraw/zinc/70/91/23/840709123.db2.gz KSDCCGLZGXFKEV-UHFFFAOYSA-N 2 2 250.346 0.469 20 0 CCADLP Cc1cc(C[NH2+]CCNC(=O)Cc2c[nH+]cn2C)on1 ZINC001147900929 840719213 /nfs/dbraw/zinc/71/92/13/840719213.db2.gz ZGPSAZPPYHJKSN-UHFFFAOYSA-N 2 2 277.328 0.165 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1nncs1 ZINC001148642086 840859407 /nfs/dbraw/zinc/85/94/07/840859407.db2.gz DWFDVIYIKCWMOV-UHFFFAOYSA-N 2 2 271.390 0.086 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1nncs1 ZINC001148642086 840859416 /nfs/dbraw/zinc/85/94/16/840859416.db2.gz DWFDVIYIKCWMOV-UHFFFAOYSA-N 2 2 271.390 0.086 20 0 CCADLP Cc1c[nH]c(CCNC(=O)c2ccc(NC(N)=[NH2+])cc2)[nH+]1 ZINC001148652302 840865386 /nfs/dbraw/zinc/86/53/86/840865386.db2.gz RQOSDJGPFQITDD-UHFFFAOYSA-N 2 2 286.339 0.996 20 0 CCADLP C[C@@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)[C@H]1CCCC[NH2+]1 ZINC000714244753 841186752 /nfs/dbraw/zinc/18/67/52/841186752.db2.gz QKIGRJJTIJGCTK-DDHJBXDOSA-N 2 2 260.403 0.682 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC001204065183 841239946 /nfs/dbraw/zinc/23/99/46/841239946.db2.gz KYIIYRSEEIIZEV-CQSZACIVSA-N 2 2 276.384 0.724 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC001204065183 841239955 /nfs/dbraw/zinc/23/99/55/841239955.db2.gz KYIIYRSEEIIZEV-CQSZACIVSA-N 2 2 276.384 0.724 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2[C@@H](CC[N@H+]2CCF)C1 ZINC001036830675 841338448 /nfs/dbraw/zinc/33/84/48/841338448.db2.gz YXRAOCLCUAYWNF-AAEUAGOBSA-N 2 2 280.347 0.845 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2[C@@H](CC[N@@H+]2CCF)C1 ZINC001036830675 841338453 /nfs/dbraw/zinc/33/84/53/841338453.db2.gz YXRAOCLCUAYWNF-AAEUAGOBSA-N 2 2 280.347 0.845 20 0 CCADLP CC[C@@H](C(=O)NCCNc1cc[nH+]c(C)n1)[NH+](C)C ZINC001093753660 841450579 /nfs/dbraw/zinc/45/05/79/841450579.db2.gz CRNNLXDSZVRGTJ-NSHDSACASA-N 2 2 265.361 0.653 20 0 CCADLP Cc1nc(NCCNC(=O)[C@H](C(C)C)[NH+](C)C)cc[nH+]1 ZINC001093770687 841453859 /nfs/dbraw/zinc/45/38/59/841453859.db2.gz CYBFVFIMBXHVFA-ZDUSSCGKSA-N 2 2 279.388 0.899 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC001204082169 841832752 /nfs/dbraw/zinc/83/27/52/841832752.db2.gz PKAPXQMLDJAOFI-CQSZACIVSA-N 2 2 276.384 0.724 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC001204082169 841832765 /nfs/dbraw/zinc/83/27/65/841832765.db2.gz PKAPXQMLDJAOFI-CQSZACIVSA-N 2 2 276.384 0.724 20 0 CCADLP O=C1CC[C@H]2C[C@H]([NH2+]CC[NH+]3CCCC3)CCN12 ZINC001172149027 841862461 /nfs/dbraw/zinc/86/24/61/841862461.db2.gz XJABMURCWWTQSK-OLZOCXBDSA-N 2 2 251.374 0.825 20 0 CCADLP C[NH+]1CCC(CO)([NH2+][C@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172167326 841879912 /nfs/dbraw/zinc/87/99/12/841879912.db2.gz VOMWYNMFVSHANM-STQMWFEESA-N 2 2 281.400 0.186 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])NC2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172218734 841896084 /nfs/dbraw/zinc/89/60/84/841896084.db2.gz CJAMBYQPPGRRSJ-YOGCLGLASA-N 2 2 252.362 0.468 20 0 CCADLP COCCC[NH+]1CCC([NH2+]CC2(F)COC2)CC1 ZINC001172247433 841908728 /nfs/dbraw/zinc/90/87/28/841908728.db2.gz OFLBXYKETWLBBD-UHFFFAOYSA-N 2 2 260.353 0.815 20 0 CCADLP CCN(CC)c1cc(NC[C@@H]2COCC[NH2+]2)nc[nH+]1 ZINC000258764133 841980846 /nfs/dbraw/zinc/98/08/46/841980846.db2.gz YBKRXTNPWALNMW-LLVKDONJSA-N 2 2 265.361 0.723 20 0 CCADLP CO[C@H]1CCC[C@@H](NC(=[NH2+])N2CC[NH+](C)CC2)C1 ZINC001172917014 841984101 /nfs/dbraw/zinc/98/41/01/841984101.db2.gz DIDXLLDQIQAPBD-NEPJUHHUSA-N 2 2 254.378 0.716 20 0 CCADLP C[C@H](CCCC[NH2+]CCCO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175880804 842289443 /nfs/dbraw/zinc/28/94/43/842289443.db2.gz DZROQGCOJIQWRH-GFCCVEGCSA-N 2 2 282.388 0.599 20 0 CCADLP C[NH+]1CCN(C(=O)c2cccc(-n3c[nH+]cc3N)c2)CC1 ZINC001175924830 842295320 /nfs/dbraw/zinc/29/53/20/842295320.db2.gz GAILMDXOWZGDRG-UHFFFAOYSA-N 2 2 285.351 0.842 20 0 CCADLP C[C@@H](CCCC[NH2+]CCCO)NC(=O)Cc1c[nH+]cn1C ZINC001176175456 842332792 /nfs/dbraw/zinc/33/27/92/842332792.db2.gz QAWXWOXUZJVEMR-ZDUSSCGKSA-N 2 2 296.415 0.610 20 0 CCADLP C[C@@H](CCCC[NH2+]CCCO)NC(=O)Cn1cc[nH+]c1 ZINC001176825291 842413692 /nfs/dbraw/zinc/41/36/92/842413692.db2.gz YXDWSDGPATUUFT-ZDUSSCGKSA-N 2 2 282.388 0.530 20 0 CCADLP CO[C@H](C[NH2+]CCCNC(=O)Cn1cc[nH+]c1)C1CCC1 ZINC001177405972 842578407 /nfs/dbraw/zinc/57/84/07/842578407.db2.gz UNLIZWMNIMYSSR-CQSZACIVSA-N 2 2 294.399 0.794 20 0 CCADLP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)O1 ZINC001177997951 842720461 /nfs/dbraw/zinc/72/04/61/842720461.db2.gz HPNKRUGWVQFVDM-JTNHKYCSSA-N 2 2 296.371 0.183 20 0 CCADLP C[C@H](O)C[NH2+]CCCCCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001178345345 842816373 /nfs/dbraw/zinc/81/63/73/842816373.db2.gz FYDBMCHDYWOUAI-ZDUSSCGKSA-N 2 2 296.415 0.989 20 0 CCADLP CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001178414807 842845305 /nfs/dbraw/zinc/84/53/05/842845305.db2.gz PGJOXSZJUGJTPZ-IHRRRGAJSA-N 2 2 283.416 0.696 20 0 CCADLP CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001178414807 842845311 /nfs/dbraw/zinc/84/53/11/842845311.db2.gz PGJOXSZJUGJTPZ-IHRRRGAJSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H](O)C[NH2+]CCCCCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001178649521 842890998 /nfs/dbraw/zinc/89/09/98/842890998.db2.gz NYKOWCGBHITZLV-ZDUSSCGKSA-N 2 2 296.415 0.989 20 0 CCADLP C[C@H](O)C[NH2+]CCCCCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001178649521 842891009 /nfs/dbraw/zinc/89/10/09/842891009.db2.gz NYKOWCGBHITZLV-ZDUSSCGKSA-N 2 2 296.415 0.989 20 0 CCADLP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2c[nH]c(=O)[nH]c2=O)C1 ZINC001206362000 842958641 /nfs/dbraw/zinc/95/86/41/842958641.db2.gz MAPQMJGSWGUPJK-GFCCVEGCSA-N 2 2 270.308 0.541 20 0 CCADLP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2c[nH]c(=O)[nH]c2=O)C1 ZINC001206362000 842958651 /nfs/dbraw/zinc/95/86/51/842958651.db2.gz MAPQMJGSWGUPJK-GFCCVEGCSA-N 2 2 270.308 0.541 20 0 CCADLP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2c[nH]c(=O)[nH]c2=O)C1 ZINC001206362007 842958745 /nfs/dbraw/zinc/95/87/45/842958745.db2.gz MAPQMJGSWGUPJK-LBPRGKRZSA-N 2 2 270.308 0.541 20 0 CCADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2c[nH]c(=O)[nH]c2=O)C1 ZINC001206362007 842958751 /nfs/dbraw/zinc/95/87/51/842958751.db2.gz MAPQMJGSWGUPJK-LBPRGKRZSA-N 2 2 270.308 0.541 20 0 CCADLP CC[C@@H](C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C)OC ZINC001179617851 843027019 /nfs/dbraw/zinc/02/70/19/843027019.db2.gz UHVGGQCOWAYXHT-UBHSHLNASA-N 2 2 294.399 0.956 20 0 CCADLP C[C@H]([NH2+]CCCCCCNC(=O)Cc1c[nH]c[nH+]1)C(N)=O ZINC001179689821 843035685 /nfs/dbraw/zinc/03/56/85/843035685.db2.gz MGEFSVWLUOXSDT-NSHDSACASA-N 2 2 295.387 0.092 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001179929424 843083234 /nfs/dbraw/zinc/08/32/34/843083234.db2.gz NBIZHLBGEHAGSX-OBJOEFQTSA-N 2 2 294.399 0.577 20 0 CCADLP Nc1cc(CC(=O)NC2CC[NH+](CCF)CC2)cc[nH+]1 ZINC001181280278 843442556 /nfs/dbraw/zinc/44/25/56/843442556.db2.gz VFPFPFLLEIMCQV-UHFFFAOYSA-N 2 2 280.347 0.756 20 0 CCADLP C[NH+]1CCC(C)(C(=O)NCCn2cc[nH+]c2)CC1 ZINC001181980830 843659168 /nfs/dbraw/zinc/65/91/68/843659168.db2.gz QMTJCROJNDJAIK-UHFFFAOYSA-N 2 2 250.346 0.731 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2cccc3c2OCCO3)C[C@H]1O ZINC001206476877 843684318 /nfs/dbraw/zinc/68/43/18/843684318.db2.gz WTAKGZIVMDEMDR-NWDGAFQWSA-N 2 2 264.325 0.209 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2cccc3c2OCCO3)C[C@H]1O ZINC001206476877 843684320 /nfs/dbraw/zinc/68/43/20/843684320.db2.gz WTAKGZIVMDEMDR-NWDGAFQWSA-N 2 2 264.325 0.209 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001182017861 843695236 /nfs/dbraw/zinc/69/52/36/843695236.db2.gz SIUKYINLVBIPSC-OCCSQVGLSA-N 2 2 281.400 0.165 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001182017861 843695238 /nfs/dbraw/zinc/69/52/38/843695238.db2.gz SIUKYINLVBIPSC-OCCSQVGLSA-N 2 2 281.400 0.165 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001182220754 843756559 /nfs/dbraw/zinc/75/65/59/843756559.db2.gz QDFUOUBHGZHCPV-LLVKDONJSA-N 2 2 266.345 0.179 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2cscn2)C1 ZINC001151740872 845005084 /nfs/dbraw/zinc/00/50/84/845005084.db2.gz YXOAYEQZFLOAAV-LBPRGKRZSA-N 2 2 298.412 0.070 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2cscn2)C1 ZINC001151740872 845005099 /nfs/dbraw/zinc/00/50/99/845005099.db2.gz YXOAYEQZFLOAAV-LBPRGKRZSA-N 2 2 298.412 0.070 20 0 CCADLP CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001189246153 845086992 /nfs/dbraw/zinc/08/69/92/845086992.db2.gz LXZSVZXXFNYKMB-GXTWGEPZSA-N 2 2 292.383 0.521 20 0 CCADLP CCOCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001189246153 845087000 /nfs/dbraw/zinc/08/70/00/845087000.db2.gz LXZSVZXXFNYKMB-GXTWGEPZSA-N 2 2 292.383 0.521 20 0 CCADLP Cc1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)o1 ZINC001192144731 845798799 /nfs/dbraw/zinc/79/87/99/845798799.db2.gz WAOSXZVEOAWYLP-CYBMUJFWSA-N 2 2 294.399 0.967 20 0 CCADLP Cc1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)o1 ZINC001192144731 845798801 /nfs/dbraw/zinc/79/88/01/845798801.db2.gz WAOSXZVEOAWYLP-CYBMUJFWSA-N 2 2 294.399 0.967 20 0 CCADLP C[C@@H](O)CCC[N@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193048419 845963382 /nfs/dbraw/zinc/96/33/82/845963382.db2.gz QUBZMJZELNJDKA-CHWSQXEVSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@@H](O)CCC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193048419 845963386 /nfs/dbraw/zinc/96/33/86/845963386.db2.gz QUBZMJZELNJDKA-CHWSQXEVSA-N 2 2 294.399 0.646 20 0 CCADLP COC(=O)CC[N@@H+](CCn1cc[nH+]c1)CC(OC)OC ZINC001193281386 846042536 /nfs/dbraw/zinc/04/25/36/846042536.db2.gz DPGDFLIAFQUHMI-UHFFFAOYSA-N 2 2 285.344 0.367 20 0 CCADLP COC(=O)CC[N@H+](CCn1cc[nH+]c1)CC(OC)OC ZINC001193281386 846042540 /nfs/dbraw/zinc/04/25/40/846042540.db2.gz DPGDFLIAFQUHMI-UHFFFAOYSA-N 2 2 285.344 0.367 20 0 CCADLP COc1nccc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)n1 ZINC001205680777 846418944 /nfs/dbraw/zinc/41/89/44/846418944.db2.gz AGQMQIZNAKGOLT-ZDUSSCGKSA-N 2 2 266.345 0.161 20 0 CCADLP COc1nccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)n1 ZINC001205680777 846418950 /nfs/dbraw/zinc/41/89/50/846418950.db2.gz AGQMQIZNAKGOLT-ZDUSSCGKSA-N 2 2 266.345 0.161 20 0 CCADLP COC(=O)CCC[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205735615 846650466 /nfs/dbraw/zinc/65/04/66/846650466.db2.gz OOCJULCCYOFFJM-VIFPVBQESA-N 2 2 250.289 0.856 20 0 CCADLP COC(=O)CCC[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205735615 846650462 /nfs/dbraw/zinc/65/04/62/846650462.db2.gz OOCJULCCYOFFJM-VIFPVBQESA-N 2 2 250.289 0.856 20 0 CCADLP CCOCC[N@@H+]1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001197817800 846987378 /nfs/dbraw/zinc/98/73/78/846987378.db2.gz QOYAFJBMKSLXLN-UHFFFAOYSA-N 2 2 294.399 0.533 20 0 CCADLP CCOCC[N@H+]1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001197817800 846987382 /nfs/dbraw/zinc/98/73/82/846987382.db2.gz QOYAFJBMKSLXLN-UHFFFAOYSA-N 2 2 294.399 0.533 20 0 CCADLP COCCNC(=S)NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001197874974 846992094 /nfs/dbraw/zinc/99/20/94/846992094.db2.gz OPUOHZJXQBYSOK-UHFFFAOYSA-N 2 2 288.461 0.123 20 0 CCADLP COC[C@H](C)[NH2+]CCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001152619202 847346036 /nfs/dbraw/zinc/34/60/36/847346036.db2.gz YSVITHUOFGWGOP-GXTWGEPZSA-N 2 2 294.399 0.425 20 0 CCADLP CCC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCCO1 ZINC001201726904 847807672 /nfs/dbraw/zinc/80/76/72/847807672.db2.gz ORGKYNONLXGEBZ-LBPRGKRZSA-N 2 2 280.372 0.569 20 0 CCADLP Cc1ccc2[nH+]cc(CN3CC[C@@H]([NH3+])[C@H](O)C3)n2c1 ZINC001205953424 847998929 /nfs/dbraw/zinc/99/89/29/847998929.db2.gz YJSKPESBBIHYEV-CHWSQXEVSA-N 2 2 260.341 0.537 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC001253190764 848154170 /nfs/dbraw/zinc/15/41/70/848154170.db2.gz RSEYTPDKTAKEHQ-OAHLLOKOSA-N 2 2 299.459 0.926 20 0 CCADLP CC[C@H](C[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1)OC ZINC001202667798 848206049 /nfs/dbraw/zinc/20/60/49/848206049.db2.gz MYNHKGWAWFRSLA-CQSZACIVSA-N 2 2 294.399 0.958 20 0 CCADLP COCCC[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001202668668 848206273 /nfs/dbraw/zinc/20/62/73/848206273.db2.gz UEANOAGJIVJQHY-UHFFFAOYSA-N 2 2 280.372 0.569 20 0 CCADLP C[C@@H](O)[C@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000717319722 848227068 /nfs/dbraw/zinc/22/70/68/848227068.db2.gz WLOXNOCSKCGXSF-BXUZGUMPSA-N 2 2 261.325 0.704 20 0 CCADLP C[C@H](C[NH2+]CCC[C@H](C)O)NC(=O)Cn1cc[nH+]c1 ZINC001275045988 848620116 /nfs/dbraw/zinc/62/01/16/848620116.db2.gz MVRMLBHQCKEIII-NEPJUHHUSA-N 2 2 268.361 0.138 20 0 CCADLP c1cn(CCN2CCC23C[NH+](C[C@@H]2CCOC2)C3)c[nH+]1 ZINC001275172505 848655977 /nfs/dbraw/zinc/65/59/77/848655977.db2.gz QCGJFLKKJKXIQR-AWEZNQCLSA-N 2 2 276.384 0.680 20 0 CCADLP O=C(NC1CC(C[NH2+]CCF)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001275250094 848677997 /nfs/dbraw/zinc/67/79/97/848677997.db2.gz BZYMGYAHARZJIZ-CPCZMJQVSA-N 2 2 294.374 0.899 20 0 CCADLP C[C@@H](C[NH2+]CC1CC1)NC(=O)CCn1cc[nH+]c1 ZINC001275251916 848678625 /nfs/dbraw/zinc/67/86/25/848678625.db2.gz ZTVIMYBTHUZENC-NSHDSACASA-N 2 2 250.346 0.778 20 0 CCADLP Cn1c[nH+]cc1CN1[C@@H]2C[C@H]1CN(CC[NH+](C)C)C2 ZINC001276148628 848940065 /nfs/dbraw/zinc/94/00/65/848940065.db2.gz MIYIYWXQFUKOQW-BETUJISGSA-N 2 2 263.389 0.240 20 0 CCADLP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3cnoc3)C[C@H]21 ZINC001276254027 848975350 /nfs/dbraw/zinc/97/53/50/848975350.db2.gz VDWNKDJXYLJTQH-KGLIPLIRSA-N 2 2 280.372 0.121 20 0 CCADLP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3cnoc3)C[C@H]21 ZINC001276254027 848975353 /nfs/dbraw/zinc/97/53/53/848975353.db2.gz VDWNKDJXYLJTQH-KGLIPLIRSA-N 2 2 280.372 0.121 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](OC)CC[C@@H]1C ZINC000687198308 849095858 /nfs/dbraw/zinc/09/58/58/849095858.db2.gz RLQKXJLHLLTQSZ-IHRRRGAJSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](OC)CC[C@@H]1C ZINC000687198308 849095862 /nfs/dbraw/zinc/09/58/62/849095862.db2.gz RLQKXJLHLLTQSZ-IHRRRGAJSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](OC)CC[C@@H]1C ZINC000687198308 849095866 /nfs/dbraw/zinc/09/58/66/849095866.db2.gz RLQKXJLHLLTQSZ-IHRRRGAJSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](OC)CC[C@@H]1C ZINC000687198308 849095871 /nfs/dbraw/zinc/09/58/71/849095871.db2.gz RLQKXJLHLLTQSZ-IHRRRGAJSA-N 2 2 274.405 0.425 20 0 CCADLP CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH+]ccn1C ZINC001114606257 849308132 /nfs/dbraw/zinc/30/81/32/849308132.db2.gz CWQUIXZAAITNLH-JYAVWHMHSA-N 2 2 276.384 0.809 20 0 CCADLP CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH+]ccn1C ZINC001114606257 849308143 /nfs/dbraw/zinc/30/81/43/849308143.db2.gz CWQUIXZAAITNLH-JYAVWHMHSA-N 2 2 276.384 0.809 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720828173 849545572 /nfs/dbraw/zinc/54/55/72/849545572.db2.gz MGGMOXOMHNKSGB-QJPTWQEYSA-N 2 2 260.378 0.068 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720828173 849545576 /nfs/dbraw/zinc/54/55/76/849545576.db2.gz MGGMOXOMHNKSGB-QJPTWQEYSA-N 2 2 260.378 0.068 20 0 CCADLP O=C(NC[C@H]1CC[N@H+]1CCCO)c1cc2c[nH+]ccc2[nH]1 ZINC001038418713 849885907 /nfs/dbraw/zinc/88/59/07/849885907.db2.gz ZKPHGGPRCFADQK-GFCCVEGCSA-N 2 2 288.351 0.749 20 0 CCADLP O=C(NC[C@H]1CC[N@@H+]1CCCO)c1cc2c[nH+]ccc2[nH]1 ZINC001038418713 849885918 /nfs/dbraw/zinc/88/59/18/849885918.db2.gz ZKPHGGPRCFADQK-GFCCVEGCSA-N 2 2 288.351 0.749 20 0 CCADLP CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@H]21 ZINC001042314680 850613629 /nfs/dbraw/zinc/61/36/29/850613629.db2.gz VAFSACHNAMJSAX-TZMCWYRMSA-N 2 2 276.384 0.905 20 0 CCADLP CC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@H]21 ZINC001042314680 850613632 /nfs/dbraw/zinc/61/36/32/850613632.db2.gz VAFSACHNAMJSAX-TZMCWYRMSA-N 2 2 276.384 0.905 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+](C[C@H](C)O)C1 ZINC001042848180 850768520 /nfs/dbraw/zinc/76/85/20/850768520.db2.gz MVXJXQFHSLVEAX-GXTWGEPZSA-N 2 2 283.416 0.384 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+](C[C@H](C)O)C1 ZINC001042848180 850768523 /nfs/dbraw/zinc/76/85/23/850768523.db2.gz MVXJXQFHSLVEAX-GXTWGEPZSA-N 2 2 283.416 0.384 20 0 CCADLP CCC[NH+]1CC(N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001043123922 850819525 /nfs/dbraw/zinc/81/95/25/850819525.db2.gz KWJMXUPWQFXEHB-LBPRGKRZSA-N 2 2 276.384 0.998 20 0 CCADLP CN(C(=O)C(C)(C)[NH+]1CCCC1)C1C[NH+](CCCO)C1 ZINC001043521190 850891350 /nfs/dbraw/zinc/89/13/50/850891350.db2.gz PZKUJUDNFUVZTP-UHFFFAOYSA-N 2 2 283.416 0.386 20 0 CCADLP CC(C)C[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001043630085 850913706 /nfs/dbraw/zinc/91/37/06/850913706.db2.gz WUJDAUBCHJHZFK-OAHLLOKOSA-N 2 2 297.443 0.894 20 0 CCADLP CC(C)C[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001043630085 850913710 /nfs/dbraw/zinc/91/37/10/850913710.db2.gz WUJDAUBCHJHZFK-OAHLLOKOSA-N 2 2 297.443 0.894 20 0 CCADLP CO[C@H](C)C[NH+]1CC(N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001043878270 850953411 /nfs/dbraw/zinc/95/34/11/850953411.db2.gz DERHOBYRTPZCCC-CYBMUJFWSA-N 2 2 297.443 0.896 20 0 CCADLP CO[C@H](C)C[NH+]1CC(N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001043878270 850953420 /nfs/dbraw/zinc/95/34/20/850953420.db2.gz DERHOBYRTPZCCC-CYBMUJFWSA-N 2 2 297.443 0.896 20 0 CCADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1C[NH+](CC[C@H]2CCCO2)C1 ZINC001043974472 850976550 /nfs/dbraw/zinc/97/65/50/850976550.db2.gz DANVHULPHZFRCC-CQSZACIVSA-N 2 2 292.383 0.664 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2C[NH+](CC(C)C)C2)C1 ZINC001044320927 851075915 /nfs/dbraw/zinc/07/59/15/851075915.db2.gz RLUAOAHGMOQAAT-CQSZACIVSA-N 2 2 283.416 0.506 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)C2C[NH+](CC(C)C)C2)C1 ZINC001044320927 851075923 /nfs/dbraw/zinc/07/59/23/851075923.db2.gz RLUAOAHGMOQAAT-CQSZACIVSA-N 2 2 283.416 0.506 20 0 CCADLP CN(C(=O)c1cccc(C[NH+](C)C)c1)C1C[NH+](CCO)C1 ZINC001044333708 851080233 /nfs/dbraw/zinc/08/02/33/851080233.db2.gz XSGLBFXWYQKKRX-UHFFFAOYSA-N 2 2 291.395 0.497 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCO)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001044628784 851134330 /nfs/dbraw/zinc/13/43/30/851134330.db2.gz YOFCKBMLFBSKHR-NEPJUHHUSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCO)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001044628784 851134333 /nfs/dbraw/zinc/13/43/33/851134333.db2.gz YOFCKBMLFBSKHR-NEPJUHHUSA-N 2 2 280.372 0.304 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+]CCO)C[C@H]1C ZINC001044842311 851166627 /nfs/dbraw/zinc/16/66/27/851166627.db2.gz RESJAOYTINSIIF-ZYHUDNBSSA-N 2 2 280.372 0.222 20 0 CCADLP C[C@@]1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC[N@H+](CCO)C1 ZINC001046434832 851501273 /nfs/dbraw/zinc/50/12/73/851501273.db2.gz SCKAMZRWSSSNFL-SWLSCSKDSA-N 2 2 292.383 0.018 20 0 CCADLP C[C@@]1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC[N@@H+](CCO)C1 ZINC001046434832 851501276 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852532890 /nfs/dbraw/zinc/53/28/90/852532890.db2.gz PDQLOYDZDIYQOE-GHMZBOCLSA-N 2 2 269.370 0.710 20 0 CCADLP Cc1nc(N[C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)cc[nH+]1 ZINC001097729314 852593859 /nfs/dbraw/zinc/59/38/59/852593859.db2.gz IKZKZOAOBBELGI-PWSUYJOCSA-N 2 2 277.372 0.796 20 0 CCADLP Cc1nc(N[C@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C)cc[nH+]1 ZINC001097729314 852593863 /nfs/dbraw/zinc/59/38/63/852593863.db2.gz IKZKZOAOBBELGI-PWSUYJOCSA-N 2 2 277.372 0.796 20 0 CCADLP C[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970842 852677505 /nfs/dbraw/zinc/67/75/05/852677505.db2.gz ZIXSHWYXOBUIGT-QWHCGFSZSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970842 852677512 /nfs/dbraw/zinc/67/75/12/852677512.db2.gz ZIXSHWYXOBUIGT-QWHCGFSZSA-N 2 2 280.372 0.235 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[N@H+](C)C[C@H]1C)CCO2 ZINC001053429289 852743568 /nfs/dbraw/zinc/74/35/68/852743568.db2.gz KSZYWENKGYXGRB-KGLIPLIRSA-N 2 2 295.427 0.507 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@H]1C)CCO2 ZINC001053429289 852743570 /nfs/dbraw/zinc/74/35/70/852743570.db2.gz KSZYWENKGYXGRB-KGLIPLIRSA-N 2 2 295.427 0.507 20 0 CCADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)CO2 ZINC001053803522 852826480 /nfs/dbraw/zinc/82/64/80/852826480.db2.gz UIJVYBBWWNBPSL-KGLIPLIRSA-N 2 2 293.411 0.308 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)C13CCC[NH+]1CCC3)CO2 ZINC001053857753 852833785 /nfs/dbraw/zinc/83/37/85/852833785.db2.gz MTTIJIVJBPZMDO-ZDUSSCGKSA-N 2 2 293.411 0.594 20 0 CCADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)C13CC[NH+](CC1)C3)CO2 ZINC001053984052 852864091 /nfs/dbraw/zinc/86/40/91/852864091.db2.gz OPHFNPGRSJQGDM-GFCCVEGCSA-N 2 2 279.384 0.062 20 0 CCADLP CCC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001000696315 853246250 /nfs/dbraw/zinc/24/62/50/853246250.db2.gz PIOJHLINDPPHEE-GFCCVEGCSA-N 2 2 264.373 0.953 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001050151778 853325502 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CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000388628574 853977792 /nfs/dbraw/zinc/97/77/92/853977792.db2.gz HLTNVCXXOPJPMZ-ZNMIVQPWSA-N 3 2 269.433 0.571 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000388628574 853977799 /nfs/dbraw/zinc/97/77/99/853977799.db2.gz HLTNVCXXOPJPMZ-ZNMIVQPWSA-N 3 2 269.433 0.571 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000388628574 853977804 /nfs/dbraw/zinc/97/78/04/853977804.db2.gz HLTNVCXXOPJPMZ-ZNMIVQPWSA-N 3 2 269.433 0.571 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001073128009 854534209 /nfs/dbraw/zinc/53/42/09/854534209.db2.gz OCFSWQLYUKXGAF-UHFFFAOYSA-N 2 2 288.395 0.907 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001073128009 854534214 /nfs/dbraw/zinc/53/42/14/854534214.db2.gz OCFSWQLYUKXGAF-UHFFFAOYSA-N 2 2 288.395 0.907 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC2(C1)CC[N@H+](CCF)C2 ZINC001073483970 854564005 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C[C@H](O)C[NH2+]C1CC(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001100293491 855139640 /nfs/dbraw/zinc/13/96/40/855139640.db2.gz WGEZXDJDEFATCA-UNXYVOJBSA-N 2 2 280.372 0.208 20 0 CCADLP COCCCC[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001101069056 855258896 /nfs/dbraw/zinc/25/88/96/855258896.db2.gz FUKIKYWQHJEIQA-UHFFFAOYSA-N 2 2 294.399 0.794 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+]CCO)CCCCC1 ZINC001115790515 855697660 /nfs/dbraw/zinc/69/76/60/855697660.db2.gz SBEWYDYNCDZCFZ-UHFFFAOYSA-N 2 2 280.372 0.353 20 0 CCADLP OCCCCC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC001116844961 855846338 /nfs/dbraw/zinc/84/63/38/855846338.db2.gz YSNDLXWZHQZMQO-UHFFFAOYSA-N 2 2 299.459 0.535 20 0 CCADLP OCCCCC[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC001116844961 855846342 /nfs/dbraw/zinc/84/63/42/855846342.db2.gz YSNDLXWZHQZMQO-UHFFFAOYSA-N 2 2 299.459 0.535 20 0 CCADLP CCC[C@@H](C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)OC ZINC001119303614 856622415 /nfs/dbraw/zinc/62/24/15/856622415.db2.gz FCLRKNKYWZMBIW-STQMWFEESA-N 2 2 271.405 0.731 20 0 CCADLP CCC[C@@H](C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)OC ZINC001119303614 856622418 /nfs/dbraw/zinc/62/24/18/856622418.db2.gz FCLRKNKYWZMBIW-STQMWFEESA-N 2 2 271.405 0.731 20 0 CCADLP Cn1ccnc1C[N@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC001120362408 857046685 /nfs/dbraw/zinc/04/66/85/857046685.db2.gz JYYGTOOPEQWTRK-GXTWGEPZSA-N 2 2 264.373 0.621 20 0 CCADLP Cn1ccnc1C[N@@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC001120362408 857046691 /nfs/dbraw/zinc/04/66/91/857046691.db2.gz JYYGTOOPEQWTRK-GXTWGEPZSA-N 2 2 264.373 0.621 20 0 CCADLP CON(C)C(=O)CC[NH2+]C[C@H](CC(C)C)[NH+](C)C ZINC001120480252 857084981 /nfs/dbraw/zinc/08/49/81/857084981.db2.gz OJHLGEMWVCWPPQ-LBPRGKRZSA-N 2 2 259.394 0.962 20 0 CCADLP CON(C)C(=O)CC[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC001120484951 857087292 /nfs/dbraw/zinc/08/72/92/857087292.db2.gz KXLPAGNDKFXINR-LLVKDONJSA-N 2 2 254.334 0.519 20 0 CCADLP CCOCCC[N@@H+]1CC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001323337185 912280244 /nfs/dbraw/zinc/28/02/44/912280244.db2.gz VTLTZPLFKMDLIQ-CYBMUJFWSA-N 2 2 294.399 0.580 20 0 CCADLP CCOCCC[N@H+]1CC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001323337185 912280262 /nfs/dbraw/zinc/28/02/62/912280262.db2.gz VTLTZPLFKMDLIQ-CYBMUJFWSA-N 2 2 294.399 0.580 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)C1C[NH+](C[C@@H](CC)OC)C1 ZINC001393020656 912335101 /nfs/dbraw/zinc/33/51/01/912335101.db2.gz LOHVQIHKNZDIKM-CQSZACIVSA-N 2 2 285.432 0.896 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)C1C[NH+](C[C@@H](CC)OC)C1 ZINC001393020656 912335120 /nfs/dbraw/zinc/33/51/20/912335120.db2.gz LOHVQIHKNZDIKM-CQSZACIVSA-N 2 2 285.432 0.896 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001393520409 912619597 /nfs/dbraw/zinc/61/95/97/912619597.db2.gz HUTYILWOGNIKHV-CQSZACIVSA-N 2 2 285.432 0.944 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001393520409 912619606 /nfs/dbraw/zinc/61/96/06/912619606.db2.gz HUTYILWOGNIKHV-CQSZACIVSA-N 2 2 285.432 0.944 20 0 CCADLP CCCC[NH+]1CCOC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001393520409 912619627 /nfs/dbraw/zinc/61/96/27/912619627.db2.gz HUTYILWOGNIKHV-CQSZACIVSA-N 2 2 285.432 0.944 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCCO)CCN1C(=O)Cn1cc[nH+]c1 ZINC001324099582 912666204 /nfs/dbraw/zinc/66/62/04/912666204.db2.gz APCMDNLNVRCBBC-CHWSQXEVSA-N 2 2 280.372 0.235 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC001394321127 913126470 /nfs/dbraw/zinc/12/64/70/913126470.db2.gz MTZJAKMNXNSTDO-CNDDSTCGSA-N 2 2 280.347 0.524 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001394321127 913126476 /nfs/dbraw/zinc/12/64/76/913126476.db2.gz MTZJAKMNXNSTDO-CNDDSTCGSA-N 2 2 280.347 0.524 20 0 CCADLP CC(C)N(CC[N@H+](C)CC1CC1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001394802143 913440136 /nfs/dbraw/zinc/44/01/36/913440136.db2.gz QYOAMTQSDPSQST-OAHLLOKOSA-N 2 2 297.443 0.896 20 0 CCADLP CC(C)N(CC[N@@H+](C)CC1CC1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001394802143 913440152 /nfs/dbraw/zinc/44/01/52/913440152.db2.gz QYOAMTQSDPSQST-OAHLLOKOSA-N 2 2 297.443 0.896 20 0 CCADLP CC(C)N(CC[NH+](C)CC1CC1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001394802143 913440167 /nfs/dbraw/zinc/44/01/67/913440167.db2.gz QYOAMTQSDPSQST-OAHLLOKOSA-N 2 2 297.443 0.896 20 0 CCADLP CC(C)N(CC[NH+](C)CC1CC1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001394802143 913440171 /nfs/dbraw/zinc/44/01/71/913440171.db2.gz QYOAMTQSDPSQST-OAHLLOKOSA-N 2 2 297.443 0.896 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[N@H+](C)CCCF ZINC001492835665 913546272 /nfs/dbraw/zinc/54/62/72/913546272.db2.gz OIRGXEZTGZWRCO-UHFFFAOYSA-N 2 2 270.352 0.760 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[N@@H+](C)CCCF ZINC001492835665 913546288 /nfs/dbraw/zinc/54/62/88/913546288.db2.gz OIRGXEZTGZWRCO-UHFFFAOYSA-N 2 2 270.352 0.760 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[N@@H+](C)Cc1cccnc1 ZINC001480891287 891690718 /nfs/dbraw/zinc/69/07/18/891690718.db2.gz MZVIZIRQKSVDLY-UHFFFAOYSA-N 2 2 287.367 0.835 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[N@H+](C)Cc1cccnc1 ZINC001480891287 891690726 /nfs/dbraw/zinc/69/07/26/891690726.db2.gz MZVIZIRQKSVDLY-UHFFFAOYSA-N 2 2 287.367 0.835 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@H+](C)CCCF ZINC001480940527 891909751 /nfs/dbraw/zinc/90/97/51/891909751.db2.gz KLEQJKXUKAUPLH-UHFFFAOYSA-N 2 2 256.325 0.668 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@@H+](C)CCCF ZINC001480940527 891909763 /nfs/dbraw/zinc/90/97/63/891909763.db2.gz KLEQJKXUKAUPLH-UHFFFAOYSA-N 2 2 256.325 0.668 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@H+](C)CCn1cccn1 ZINC001480940751 891914800 /nfs/dbraw/zinc/91/48/00/891914800.db2.gz SNGFWQFDUHCWLE-UHFFFAOYSA-N 2 2 290.371 0.205 20 0 CCADLP CCC[NH2+][C@@H](CO)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001283813721 892431479 /nfs/dbraw/zinc/43/14/79/892431479.db2.gz PZXXTLLKQVYHLE-ZYHUDNBSSA-N 2 2 268.361 0.065 20 0 CCADLP CCC[NH2+][C@@H](CO)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001283813721 892431469 /nfs/dbraw/zinc/43/14/69/892431469.db2.gz PZXXTLLKQVYHLE-ZYHUDNBSSA-N 2 2 268.361 0.065 20 0 CCADLP CN(CC[NH2+]CCCF)C(=O)CCc1c[nH+]cn1C ZINC001481309847 892562215 /nfs/dbraw/zinc/56/22/15/892562215.db2.gz JWBOCAWWEKCWQM-UHFFFAOYSA-N 2 2 270.352 0.760 20 0 CCADLP C[N@H+]1CC=C(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001325996661 913685224 /nfs/dbraw/zinc/68/52/24/913685224.db2.gz WYXVRWIBRLPHFV-ZDUSSCGKSA-N 2 2 274.368 0.824 20 0 CCADLP C[N@@H+]1CC=C(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001325996661 913685240 /nfs/dbraw/zinc/68/52/40/913685240.db2.gz WYXVRWIBRLPHFV-ZDUSSCGKSA-N 2 2 274.368 0.824 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001481456519 892684797 /nfs/dbraw/zinc/68/47/97/892684797.db2.gz IHBVPONZJZUYLG-DGCLKSJQSA-N 2 2 294.399 0.470 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001481456519 892684803 /nfs/dbraw/zinc/68/48/03/892684803.db2.gz IHBVPONZJZUYLG-DGCLKSJQSA-N 2 2 294.399 0.470 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001481456523 892684867 /nfs/dbraw/zinc/68/48/67/892684867.db2.gz IHBVPONZJZUYLG-YPMHNXCESA-N 2 2 294.399 0.470 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001481456523 892684876 /nfs/dbraw/zinc/68/48/76/892684876.db2.gz IHBVPONZJZUYLG-YPMHNXCESA-N 2 2 294.399 0.470 20 0 CCADLP C[C@@H](O)C[N@H+](C)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001481507817 892757548 /nfs/dbraw/zinc/75/75/48/892757548.db2.gz BMANKTRGFMULLY-CHWSQXEVSA-N 2 2 280.372 0.044 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001481507817 892757551 /nfs/dbraw/zinc/75/75/51/892757551.db2.gz BMANKTRGFMULLY-CHWSQXEVSA-N 2 2 280.372 0.044 20 0 CCADLP CCCCC[NH+]1CC(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001481601837 892885919 /nfs/dbraw/zinc/88/59/19/892885919.db2.gz KWNYOIQPJGFPEU-AWEZNQCLSA-N 2 2 297.443 0.945 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[N@H+](CCO)CC1 ZINC000981989036 892933857 /nfs/dbraw/zinc/93/38/57/892933857.db2.gz HVRSMPXKAIFWRQ-CHWSQXEVSA-N 2 2 292.383 0.050 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[N@@H+](CCO)CC1 ZINC000981989036 892933865 /nfs/dbraw/zinc/93/38/65/892933865.db2.gz HVRSMPXKAIFWRQ-CHWSQXEVSA-N 2 2 292.383 0.050 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001481656109 892972755 /nfs/dbraw/zinc/97/27/55/892972755.db2.gz OJVZZPCXRNVOOD-JTQLQIEISA-N 2 2 280.372 0.344 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001481691657 893016273 /nfs/dbraw/zinc/01/62/73/893016273.db2.gz LXVDHXFRVNTREU-LBPRGKRZSA-N 2 2 250.346 0.872 20 0 CCADLP CC(C)[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001481691657 893016288 /nfs/dbraw/zinc/01/62/88/893016288.db2.gz LXVDHXFRVNTREU-LBPRGKRZSA-N 2 2 250.346 0.872 20 0 CCADLP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cnon1 ZINC001481824725 893188955 /nfs/dbraw/zinc/18/89/55/893188955.db2.gz XDTOJWDCIAOIBE-WCQYABFASA-N 2 2 295.387 0.538 20 0 CCADLP CC[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1cnon1 ZINC001481824725 893188964 /nfs/dbraw/zinc/18/89/64/893188964.db2.gz XDTOJWDCIAOIBE-WCQYABFASA-N 2 2 295.387 0.538 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@](C)(C[NH2+]CCF)C2CC2)C1 ZINC001481921434 893266677 /nfs/dbraw/zinc/26/66/77/893266677.db2.gz GDSCMXWBOFGGKT-OCCSQVGLSA-N 2 2 287.379 0.161 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@](C)(C[NH2+]CCF)C2CC2)C1 ZINC001481921434 893266694 /nfs/dbraw/zinc/26/66/94/893266694.db2.gz GDSCMXWBOFGGKT-OCCSQVGLSA-N 2 2 287.379 0.161 20 0 CCADLP Cc1ncoc1C[NH2+]C[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001482146020 893437449 /nfs/dbraw/zinc/43/74/49/893437449.db2.gz ZWPXBZBRZJZJAE-JTQLQIEISA-N 2 2 291.355 0.791 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC001362040747 893498055 /nfs/dbraw/zinc/49/80/55/893498055.db2.gz NQDNMFRWGLTXNC-ZIAGYGMSSA-N 2 2 282.432 0.080 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC001362040747 893498061 /nfs/dbraw/zinc/49/80/61/893498061.db2.gz NQDNMFRWGLTXNC-ZIAGYGMSSA-N 2 2 282.432 0.080 20 0 CCADLP CC[N@@H+]1CC[C@H]1C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC001362079205 893502807 /nfs/dbraw/zinc/50/28/07/893502807.db2.gz MXERTMSFBMLUTE-OLZOCXBDSA-N 2 2 297.399 0.176 20 0 CCADLP CC[N@H+]1CC[C@H]1C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC001362079205 893502825 /nfs/dbraw/zinc/50/28/25/893502825.db2.gz MXERTMSFBMLUTE-OLZOCXBDSA-N 2 2 297.399 0.176 20 0 CCADLP COCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001482501787 894164074 /nfs/dbraw/zinc/16/40/74/894164074.db2.gz UAYWKWUCDWIHIA-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP CCCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001482743599 894562718 /nfs/dbraw/zinc/56/27/18/894562718.db2.gz FUKQQWQGKHHRDP-STQMWFEESA-N 2 2 294.399 0.312 20 0 CCADLP C[C@@H](CC[NH2+]C[C@@H]1CCOC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001482882967 894668015 /nfs/dbraw/zinc/66/80/15/894668015.db2.gz ASIVMQYISUQTDU-RYUDHWBXSA-N 2 2 280.372 0.473 20 0 CCADLP CCN(CC[NH2+]CC1CC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001482960178 894728460 /nfs/dbraw/zinc/72/84/60/894728460.db2.gz OGSJQAAOUGDELK-UHFFFAOYSA-N 2 2 250.346 0.800 20 0 CCADLP C[C@@H](NC(=O)CCc1[nH+]ccn1C)[C@H](C)[NH2+]CCF ZINC001424802029 894927932 /nfs/dbraw/zinc/92/79/32/894927932.db2.gz JOVLKGYATKQSOL-WDEREUQCSA-N 2 2 270.352 0.805 20 0 CCADLP C[C@H](CC(=O)N1CC[C@@H](CC[NH2+]CCO)C1)n1cc[nH+]c1 ZINC001326384822 913924559 /nfs/dbraw/zinc/92/45/59/913924559.db2.gz VRIBLOVLUXAMGY-ZIAGYGMSSA-N 2 2 294.399 0.655 20 0 CCADLP Cc1ccnc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001483215730 895122527 /nfs/dbraw/zinc/12/25/27/895122527.db2.gz ZOQFXIRMABAUAL-STQMWFEESA-N 2 2 291.399 0.474 20 0 CCADLP Cc1ccnc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001483215730 895122535 /nfs/dbraw/zinc/12/25/35/895122535.db2.gz ZOQFXIRMABAUAL-STQMWFEESA-N 2 2 291.399 0.474 20 0 CCADLP C[C@@H](C[NH2+]Cc1cccnc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001483270459 895399888 /nfs/dbraw/zinc/39/98/88/895399888.db2.gz ZGFCLRPDUKJDSI-NSHDSACASA-N 2 2 273.340 0.642 20 0 CCADLP CO[C@@H](C)C[N@H+](C)C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001483347641 895485796 /nfs/dbraw/zinc/48/57/96/895485796.db2.gz XPHLIFXCEAKQOM-NEPJUHHUSA-N 2 2 282.388 0.814 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001483347641 895485800 /nfs/dbraw/zinc/48/58/00/895485800.db2.gz XPHLIFXCEAKQOM-NEPJUHHUSA-N 2 2 282.388 0.814 20 0 CCADLP CO[C@@H](C)C[N@H+](C)C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001483347641 895485809 /nfs/dbraw/zinc/48/58/09/895485809.db2.gz XPHLIFXCEAKQOM-NEPJUHHUSA-N 2 2 282.388 0.814 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001483347641 895485818 /nfs/dbraw/zinc/48/58/18/895485818.db2.gz XPHLIFXCEAKQOM-NEPJUHHUSA-N 2 2 282.388 0.814 20 0 CCADLP Cc1nc(C[NH2+]C2(CNC(=O)CC[NH+](C)C)CC2)oc1C ZINC001483763732 896027716 /nfs/dbraw/zinc/02/77/16/896027716.db2.gz RBJPCQLZUBOWJL-UHFFFAOYSA-N 2 2 294.399 0.982 20 0 CCADLP CC[C@@H](C(=O)N(C)C1C[NH+]([C@@H](C)COC)C1)[NH+](C)C ZINC001483887452 896107417 /nfs/dbraw/zinc/10/74/17/896107417.db2.gz HTLAUMKYSMUGEH-AAEUAGOBSA-N 2 2 271.405 0.504 20 0 CCADLP CC[NH+]1CCC(C)(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001483974212 896139604 /nfs/dbraw/zinc/13/96/04/896139604.db2.gz VPQJKTGVFARSLJ-UHFFFAOYSA-N 2 2 264.373 0.953 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001397089574 914037754 /nfs/dbraw/zinc/03/77/54/914037754.db2.gz VTKMRGMMIBCPLE-UTUOFQBUSA-N 2 2 280.372 0.472 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@](CO)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001484440934 896411717 /nfs/dbraw/zinc/41/17/17/896411717.db2.gz KWZWQXYSPXLGLH-OAHLLOKOSA-N 2 2 294.399 0.625 20 0 CCADLP CC(C)[N@H+]1CCC[C@@](CO)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001484440934 896411725 /nfs/dbraw/zinc/41/17/25/896411725.db2.gz KWZWQXYSPXLGLH-OAHLLOKOSA-N 2 2 294.399 0.625 20 0 CCADLP CCCCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001484705685 896549898 /nfs/dbraw/zinc/54/98/98/896549898.db2.gz UCEZEAMQJZFRRV-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC1(C[NH2+]CCCF)CCOCC1 ZINC001484869576 896639277 /nfs/dbraw/zinc/63/92/77/896639277.db2.gz PWJPLWMIOCEXKI-UHFFFAOYSA-N 2 2 298.362 0.567 20 0 CCADLP COCC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001484907423 896661609 /nfs/dbraw/zinc/66/16/09/896661609.db2.gz VSRGDSJUBORGGB-AAEUAGOBSA-N 2 2 280.372 0.046 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C[N@H+](C)CCO ZINC001485071498 896754780 /nfs/dbraw/zinc/75/47/80/896754780.db2.gz QRVLMPUUUZYQEI-JSGCOSHPSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C[N@@H+](C)CCO ZINC001485071498 896754784 /nfs/dbraw/zinc/75/47/84/896754784.db2.gz QRVLMPUUUZYQEI-JSGCOSHPSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C[N@H+](C)CCO ZINC001485071498 896754788 /nfs/dbraw/zinc/75/47/88/896754788.db2.gz QRVLMPUUUZYQEI-JSGCOSHPSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C[N@@H+](C)CCO ZINC001485071498 896754793 /nfs/dbraw/zinc/75/47/93/896754793.db2.gz QRVLMPUUUZYQEI-JSGCOSHPSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@@H]([NH2+]CCF)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001485642014 897164178 /nfs/dbraw/zinc/16/41/78/897164178.db2.gz AUPGRMBRZDDLFY-PWSUYJOCSA-N 2 2 284.335 0.127 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001326745365 914134626 /nfs/dbraw/zinc/13/46/26/914134626.db2.gz WYEYWYXALJKEDG-RYUDHWBXSA-N 2 2 264.373 0.998 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001326745365 914134637 /nfs/dbraw/zinc/13/46/37/914134637.db2.gz WYEYWYXALJKEDG-RYUDHWBXSA-N 2 2 264.373 0.998 20 0 CCADLP CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001032484548 897636679 /nfs/dbraw/zinc/63/66/79/897636679.db2.gz JQQXSTCSCLSZMM-AVGNSLFASA-N 2 2 274.368 0.751 20 0 CCADLP CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001032484548 897636685 /nfs/dbraw/zinc/63/66/85/897636685.db2.gz JQQXSTCSCLSZMM-AVGNSLFASA-N 2 2 274.368 0.751 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032658061 897900921 /nfs/dbraw/zinc/90/09/21/897900921.db2.gz NGDXWWORVDOXRO-STQMWFEESA-N 2 2 292.383 0.284 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032658061 897900930 /nfs/dbraw/zinc/90/09/30/897900930.db2.gz NGDXWWORVDOXRO-STQMWFEESA-N 2 2 292.383 0.284 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H]1CCOC1 ZINC001032651796 897903482 /nfs/dbraw/zinc/90/34/82/897903482.db2.gz GCKPGWZEJUHGNP-XBFCOCLRSA-N 2 2 290.367 0.274 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@H]1CCOC1 ZINC001032651796 897903488 /nfs/dbraw/zinc/90/34/88/897903488.db2.gz GCKPGWZEJUHGNP-XBFCOCLRSA-N 2 2 290.367 0.274 20 0 CCADLP COC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC001032652450 897903620 /nfs/dbraw/zinc/90/36/20/897903620.db2.gz SCGVEWBUBXAWHC-DRZSPHRISA-N 2 2 278.356 0.272 20 0 CCADLP COC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC001032652450 897903630 /nfs/dbraw/zinc/90/36/30/897903630.db2.gz SCGVEWBUBXAWHC-DRZSPHRISA-N 2 2 278.356 0.272 20 0 CCADLP COCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH+]cn1C ZINC001032759242 898119563 /nfs/dbraw/zinc/11/95/63/898119563.db2.gz FDAZXXPCJPQQEP-KBPBESRZSA-N 2 2 292.383 0.284 20 0 CCADLP COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH+]cn1C ZINC001032759242 898119566 /nfs/dbraw/zinc/11/95/66/898119566.db2.gz FDAZXXPCJPQQEP-KBPBESRZSA-N 2 2 292.383 0.284 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CC(C)C)C[C@H]1O ZINC001078083410 898225327 /nfs/dbraw/zinc/22/53/27/898225327.db2.gz TXQRIJBPDJBGAN-CHWSQXEVSA-N 2 2 280.372 0.078 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CC(C)C)C[C@H]1O ZINC001078083410 898225343 /nfs/dbraw/zinc/22/53/43/898225343.db2.gz TXQRIJBPDJBGAN-CHWSQXEVSA-N 2 2 280.372 0.078 20 0 CCADLP COCCC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001486213122 898717298 /nfs/dbraw/zinc/71/72/98/898717298.db2.gz UAQWOELAOXXJPI-QWHCGFSZSA-N 2 2 294.399 0.863 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1=CC[N@H+](CCF)CC1 ZINC001486521977 898919879 /nfs/dbraw/zinc/91/98/79/898919879.db2.gz SNDVDNMCKMTRMR-UHFFFAOYSA-N 2 2 266.320 0.601 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1=CC[N@@H+](CCF)CC1 ZINC001486521977 898919884 /nfs/dbraw/zinc/91/98/84/898919884.db2.gz SNDVDNMCKMTRMR-UHFFFAOYSA-N 2 2 266.320 0.601 20 0 CCADLP CNC(=O)C[C@H](C)[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC001364711332 899027293 /nfs/dbraw/zinc/02/72/93/899027293.db2.gz TZKRFAGYTORYFI-LBPRGKRZSA-N 2 2 299.415 0.518 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N(C)CC[NH2+]Cc1ccn(C)n1 ZINC001493631201 899114130 /nfs/dbraw/zinc/11/41/30/899114130.db2.gz QTMQUKBBTZLLTG-UHFFFAOYSA-N 2 2 290.371 0.173 20 0 CCADLP CCC[NH2+][C@H](C)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001410189424 899268848 /nfs/dbraw/zinc/26/88/48/899268848.db2.gz KAYPCKAYGKPYGY-CHWSQXEVSA-N 2 2 280.372 0.499 20 0 CCADLP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1nc(C)no1)[NH+](C)C ZINC001410393592 899385503 /nfs/dbraw/zinc/38/55/03/899385503.db2.gz MNQUSQSTMHOEAG-CMPLNLGQSA-N 2 2 297.403 0.655 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001085105747 899405883 /nfs/dbraw/zinc/40/58/83/899405883.db2.gz CMGRPGCQOIYXOX-MCIONIFRSA-N 2 2 292.383 0.187 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001085105747 899405892 /nfs/dbraw/zinc/40/58/92/899405892.db2.gz CMGRPGCQOIYXOX-MCIONIFRSA-N 2 2 292.383 0.187 20 0 CCADLP COCC[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001488777533 900374166 /nfs/dbraw/zinc/37/41/66/900374166.db2.gz VTLJXOOWBKGMIE-MELADBBJSA-N 2 2 294.399 0.965 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001493151490 900516953 /nfs/dbraw/zinc/51/69/53/900516953.db2.gz MUMMYOKQWDBCFG-GFCCVEGCSA-N 2 2 264.373 0.952 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001493151490 900516963 /nfs/dbraw/zinc/51/69/63/900516963.db2.gz MUMMYOKQWDBCFG-GFCCVEGCSA-N 2 2 264.373 0.952 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[C@H]1C[NH2+]CCF ZINC001320190090 900916134 /nfs/dbraw/zinc/91/61/34/900916134.db2.gz UCQCMPUUBBAKHC-NWDGAFQWSA-N 2 2 268.336 0.727 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[C@@H]1C[NH2+]CCF ZINC001320190092 900916744 /nfs/dbraw/zinc/91/67/44/900916744.db2.gz UCQCMPUUBBAKHC-VXGBXAGGSA-N 2 2 268.336 0.727 20 0 CCADLP CCN(CC[NH2+]Cc1csnn1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001320810910 900951185 /nfs/dbraw/zinc/95/11/85/900951185.db2.gz GHAQMOYFUCCEPP-GFCCVEGCSA-N 2 2 297.428 0.570 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC001321013750 900962440 /nfs/dbraw/zinc/96/24/40/900962440.db2.gz HQYMSZNCMVRDSA-LBPRGKRZSA-N 2 2 264.373 0.763 20 0 CCADLP CC[NH2+]CC1(NC(=O)Cc2c[nH]c[nH+]2)CCOCC1 ZINC001327661420 914687051 /nfs/dbraw/zinc/68/70/51/914687051.db2.gz JRXBYXYIEBJJGQ-UHFFFAOYSA-N 2 2 266.345 0.227 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCC[N@H+](CCF)C1 ZINC001398674290 914779014 /nfs/dbraw/zinc/77/90/14/914779014.db2.gz UAQLPBTUKDXOEH-ZDUSSCGKSA-N 2 2 282.363 0.989 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCC[N@@H+](CCF)C1 ZINC001398674290 914779024 /nfs/dbraw/zinc/77/90/24/914779024.db2.gz UAQLPBTUKDXOEH-ZDUSSCGKSA-N 2 2 282.363 0.989 20 0 CCADLP COCCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001281687221 904330553 /nfs/dbraw/zinc/33/05/53/904330553.db2.gz WBYQVRCFTXHTLH-CHWSQXEVSA-N 2 2 294.399 0.958 20 0 CCADLP COCCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001281687221 904330566 /nfs/dbraw/zinc/33/05/66/904330566.db2.gz WBYQVRCFTXHTLH-CHWSQXEVSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001377463092 904913700 /nfs/dbraw/zinc/91/37/00/904913700.db2.gz RGHSEWKVVPOMDV-CHWSQXEVSA-N 2 2 294.399 0.172 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001377463092 904913720 /nfs/dbraw/zinc/91/37/20/904913720.db2.gz RGHSEWKVVPOMDV-CHWSQXEVSA-N 2 2 294.399 0.172 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001398824820 914863754 /nfs/dbraw/zinc/86/37/54/914863754.db2.gz NFCMEMHXCWBKRG-SZZQBSIJSA-N 2 2 292.383 0.016 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001398824820 914863771 /nfs/dbraw/zinc/86/37/71/914863771.db2.gz NFCMEMHXCWBKRG-SZZQBSIJSA-N 2 2 292.383 0.016 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001398824820 914863779 /nfs/dbraw/zinc/86/37/79/914863779.db2.gz NFCMEMHXCWBKRG-SZZQBSIJSA-N 2 2 292.383 0.016 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001398824820 914863799 /nfs/dbraw/zinc/86/37/99/914863799.db2.gz NFCMEMHXCWBKRG-SZZQBSIJSA-N 2 2 292.383 0.016 20 0 CCADLP COCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001378131928 905442799 /nfs/dbraw/zinc/44/27/99/905442799.db2.gz RIVSYHKKOVOROD-YNEHKIRRSA-N 2 2 294.399 0.607 20 0 CCADLP COCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001378131928 905442802 /nfs/dbraw/zinc/44/28/02/905442802.db2.gz RIVSYHKKOVOROD-YNEHKIRRSA-N 2 2 294.399 0.607 20 0 CCADLP CC[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]C[C@@H]1CCOC1 ZINC001378300137 905573219 /nfs/dbraw/zinc/57/32/19/905573219.db2.gz ZPWXMJWENCTOEW-KBPBESRZSA-N 2 2 294.399 0.794 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[N@H+](CCO)CC1(C)C ZINC001378670456 905749420 /nfs/dbraw/zinc/74/94/20/905749420.db2.gz ZGBIBCFZQSUXAY-ZDUSSCGKSA-N 2 2 294.399 0.172 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[N@@H+](CCO)CC1(C)C ZINC001378670456 905749427 /nfs/dbraw/zinc/74/94/27/905749427.db2.gz ZGBIBCFZQSUXAY-ZDUSSCGKSA-N 2 2 294.399 0.172 20 0 CCADLP CC(C)[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]C[C@@H](C)O ZINC001378969779 905904065 /nfs/dbraw/zinc/90/40/65/905904065.db2.gz HCNYQZUAUVTPPQ-OLZOCXBDSA-N 2 2 282.388 0.384 20 0 CCADLP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1nc(C)no1)[NH+](C)C ZINC001379520909 906321282 /nfs/dbraw/zinc/32/12/82/906321282.db2.gz HNCLTLCHFWIHKP-GXSJLCMTSA-N 2 2 283.376 0.313 20 0 CCADLP CCn1c[nH+]c2c1CCN(c1nccnc1C[NH3+])C2 ZINC001337279774 921228178 /nfs/dbraw/zinc/22/81/78/921228178.db2.gz OKEFOFLMGSRRLI-UHFFFAOYSA-N 2 2 258.329 0.714 20 0 CCADLP CC(C)[NH2+]C[C@@H](O)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001379840394 906501360 /nfs/dbraw/zinc/50/13/60/906501360.db2.gz KWNNASYYOGNBNX-CHWSQXEVSA-N 2 2 282.388 0.652 20 0 CCADLP CC[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCOCC1 ZINC001381062493 907058798 /nfs/dbraw/zinc/05/87/98/907058798.db2.gz VEOHYQUOZCVGGT-VXGBXAGGSA-N 2 2 292.383 0.788 20 0 CCADLP CC[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCOCC1 ZINC001381062493 907058809 /nfs/dbraw/zinc/05/88/09/907058809.db2.gz VEOHYQUOZCVGGT-VXGBXAGGSA-N 2 2 292.383 0.788 20 0 CCADLP CC(C)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001381935666 907462244 /nfs/dbraw/zinc/46/22/44/907462244.db2.gz DWVPDTUASULMSN-KBPBESRZSA-N 2 2 294.399 0.745 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N(C)C[C@H](C)[NH2+]CCO ZINC001382094591 907543044 /nfs/dbraw/zinc/54/30/44/907543044.db2.gz ZHDUHZSWFDAKRR-NSHDSACASA-N 2 2 281.356 0.062 20 0 CCADLP CC[C@H](C[NH2+][C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1)OC ZINC001382166566 907582111 /nfs/dbraw/zinc/58/21/11/907582111.db2.gz WOYLCTJYEWLKRZ-QWHCGFSZSA-N 2 2 282.388 0.745 20 0 CCADLP COCC[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001316669497 907620408 /nfs/dbraw/zinc/62/04/08/907620408.db2.gz DOJQYDKTELCFCU-QWHCGFSZSA-N 2 2 280.372 0.404 20 0 CCADLP C[C@@H]1[C@H]([NH2+]Cc2cnsn2)CCN1C(=O)CC[NH+](C)C ZINC001382284094 907659343 /nfs/dbraw/zinc/65/93/43/907659343.db2.gz IOIYFQJLWJYQRP-ZYHUDNBSSA-N 2 2 297.428 0.569 20 0 CCADLP CC(C)C[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001382472374 907759626 /nfs/dbraw/zinc/75/96/26/907759626.db2.gz KCFCZVHZWQHKBE-LBPRGKRZSA-N 2 2 282.388 0.359 20 0 CCADLP CC(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001382472374 907759631 /nfs/dbraw/zinc/75/96/31/907759631.db2.gz KCFCZVHZWQHKBE-LBPRGKRZSA-N 2 2 282.388 0.359 20 0 CCADLP C[N@H+](CCNC(=O)CCn1cc[nH+]c1)CC[C@@H]1CCCO1 ZINC001492363019 907875350 /nfs/dbraw/zinc/87/53/50/907875350.db2.gz FESGURRDRUHTON-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP C[N@@H+](CCNC(=O)CCn1cc[nH+]c1)CC[C@@H]1CCCO1 ZINC001492363019 907875366 /nfs/dbraw/zinc/87/53/66/907875366.db2.gz FESGURRDRUHTON-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP C[C@@H](Nc1cc(N)[nH+]cn1)[C@@H]1C[N@H+](C)CCN1C ZINC001338083922 921365383 /nfs/dbraw/zinc/36/53/83/921365383.db2.gz LMGGRYVERHAGJT-ZJUUUORDSA-N 2 2 250.350 0.105 20 0 CCADLP C[C@@H](Nc1cc(N)[nH+]cn1)[C@@H]1C[N@@H+](C)CCN1C ZINC001338083922 921365400 /nfs/dbraw/zinc/36/54/00/921365400.db2.gz LMGGRYVERHAGJT-ZJUUUORDSA-N 2 2 250.350 0.105 20 0 CCADLP CCc1[nH]c(CNC(=O)C[N@@H+]2CC[C@H](C)C2)c[nH+]1 ZINC001303974241 908129254 /nfs/dbraw/zinc/12/92/54/908129254.db2.gz DKQGSOVTBBKLKX-JTQLQIEISA-N 2 2 250.346 0.930 20 0 CCADLP CCc1[nH]c(CNC(=O)C[N@H+]2CC[C@H](C)C2)c[nH+]1 ZINC001303974241 908129265 /nfs/dbraw/zinc/12/92/65/908129265.db2.gz DKQGSOVTBBKLKX-JTQLQIEISA-N 2 2 250.346 0.930 20 0 CCADLP CCc1[nH]cc(CNC(=O)C[N@@H+]2CC[C@H](C)C2)[nH+]1 ZINC001303974241 908129276 /nfs/dbraw/zinc/12/92/76/908129276.db2.gz DKQGSOVTBBKLKX-JTQLQIEISA-N 2 2 250.346 0.930 20 0 CCADLP CCc1[nH]cc(CNC(=O)C[N@H+]2CC[C@H](C)C2)[nH+]1 ZINC001303974241 908129288 /nfs/dbraw/zinc/12/92/88/908129288.db2.gz DKQGSOVTBBKLKX-JTQLQIEISA-N 2 2 250.346 0.930 20 0 CCADLP [NH3+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC001340267676 908516808 /nfs/dbraw/zinc/51/68/08/908516808.db2.gz VOAMACUSWXFBOL-JTQLQIEISA-N 2 2 260.297 0.363 20 0 CCADLP [NH3+][C@H](CC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)C(F)F ZINC001340905203 908557704 /nfs/dbraw/zinc/55/77/04/908557704.db2.gz FMIDVCLRGYWXNX-AXTSPUMRSA-N 2 2 261.316 0.555 20 0 CCADLP CC[N@@H+]1CCC2(CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001313441290 908667856 /nfs/dbraw/zinc/66/78/56/908667856.db2.gz FSVTXPDWOQCGQA-UHFFFAOYSA-N 2 2 262.357 0.827 20 0 CCADLP CC[N@H+]1CCC2(CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001313441290 908667861 /nfs/dbraw/zinc/66/78/61/908667861.db2.gz FSVTXPDWOQCGQA-UHFFFAOYSA-N 2 2 262.357 0.827 20 0 CCADLP C[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C)n1cc[nH+]c1 ZINC001329308997 908752866 /nfs/dbraw/zinc/75/28/66/908752866.db2.gz MOFPJIGISWAWER-GRYCIOLGSA-N 2 2 250.346 0.995 20 0 CCADLP CN(CC[NH2+]CC[C@@H]1CCOC1)C(=O)Cc1c[nH+]cn1C ZINC001317655360 909452256 /nfs/dbraw/zinc/45/22/56/909452256.db2.gz QBHIAOOEDXKQLR-CYBMUJFWSA-N 2 2 294.399 0.437 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N(C)CC[NH2+]Cc1cnsn1 ZINC001317660344 909454440 /nfs/dbraw/zinc/45/44/40/909454440.db2.gz BTFROLIBJGUMTL-UHFFFAOYSA-N 2 2 294.384 0.291 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001388740345 909570222 /nfs/dbraw/zinc/57/02/22/909570222.db2.gz ZDBUYJSNJIAWJY-CYDGBPFRSA-N 2 2 294.399 0.454 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001388740345 909570235 /nfs/dbraw/zinc/57/02/35/909570235.db2.gz ZDBUYJSNJIAWJY-CYDGBPFRSA-N 2 2 294.399 0.454 20 0 CCADLP CCOCC[NH+]1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001318059547 909602292 /nfs/dbraw/zinc/60/22/92/909602292.db2.gz OJUOHXVVKJGRTB-UHFFFAOYSA-N 2 2 269.389 0.165 20 0 CCADLP CC(C)COCC[NH+]1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001318180076 909653254 /nfs/dbraw/zinc/65/32/54/909653254.db2.gz RXWJRUCYLBMFJU-UHFFFAOYSA-N 2 2 294.399 0.604 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001338607884 921524129 /nfs/dbraw/zinc/52/41/29/921524129.db2.gz MROVVSOBZZFLNJ-GWCFXTLKSA-N 2 2 263.345 0.361 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C[NH2+]CCF ZINC001319208690 910037853 /nfs/dbraw/zinc/03/78/53/910037853.db2.gz LVYNVSOPRWYQTH-NEPJUHHUSA-N 2 2 282.363 0.757 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H](C)C[NH2+]C[C@H](C)O ZINC001319576004 910211177 /nfs/dbraw/zinc/21/11/77/910211177.db2.gz KDVSWDYIOVSSCH-UWVGGRQHSA-N 2 2 268.361 0.078 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+]CCCO)[C@@H](C)C1 ZINC001319715825 910268849 /nfs/dbraw/zinc/26/88/49/910268849.db2.gz RYJKQMMTURNOBR-WCQYABFASA-N 2 2 294.399 0.470 20 0 CCADLP Cc1noc(C)c1C[NH2+][C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001390485731 910455491 /nfs/dbraw/zinc/45/54/91/910455491.db2.gz RISCUDRLDOIHOI-VIFPVBQESA-N 2 2 291.355 0.852 20 0 CCADLP Cc1cnc(C[NH2+][C@H](C)CNC(=O)C23CC[NH+](CC2)C3)o1 ZINC001390503347 910477227 /nfs/dbraw/zinc/47/72/27/910477227.db2.gz DVUZUARADSZPAI-LLVKDONJSA-N 2 2 292.383 0.673 20 0 CCADLP Cc1cnc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001390519581 910487052 /nfs/dbraw/zinc/48/70/52/910487052.db2.gz KHRDDWHQFKUAEQ-JQWIXIFHSA-N 2 2 280.372 0.529 20 0 CCADLP Cc1cnc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001390519581 910487061 /nfs/dbraw/zinc/48/70/61/910487061.db2.gz KHRDDWHQFKUAEQ-JQWIXIFHSA-N 2 2 280.372 0.529 20 0 CCADLP Cc1cccnc1C[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001390541031 910503029 /nfs/dbraw/zinc/50/30/29/910503029.db2.gz IDUVOVXMROYZIM-ZDUSSCGKSA-N 2 2 287.367 0.881 20 0 CCADLP CC(C)=CC[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001320301273 910593837 /nfs/dbraw/zinc/59/38/37/910593837.db2.gz VTSHCDUTKBJQBH-GFCCVEGCSA-N 2 2 280.372 0.294 20 0 CCADLP CN(C[C@@H]1CC[N@@H+]1CCCO)C(=O)CCc1c[nH+]cn1C ZINC001417746797 921589895 /nfs/dbraw/zinc/58/98/95/921589895.db2.gz OWXCIDYXTIRPHM-AWEZNQCLSA-N 2 2 294.399 0.268 20 0 CCADLP CN(C[C@@H]1CC[N@H+]1CCCO)C(=O)CCc1c[nH+]cn1C ZINC001417746797 921589904 /nfs/dbraw/zinc/58/99/04/921589904.db2.gz OWXCIDYXTIRPHM-AWEZNQCLSA-N 2 2 294.399 0.268 20 0 CCADLP Cc1ncc(C[NH2+][C@H](C)CCNC(=O)Cc2c[nH]c[nH+]2)o1 ZINC001390705390 910599977 /nfs/dbraw/zinc/59/99/77/910599977.db2.gz PKMGYRMZRIKXBD-SNVBAGLBSA-N 2 2 291.355 0.933 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001391102364 910877128 /nfs/dbraw/zinc/87/71/28/910877128.db2.gz OKUVAJQTTYHAEL-VXGBXAGGSA-N 2 2 280.372 0.425 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001391102364 910877143 /nfs/dbraw/zinc/87/71/43/910877143.db2.gz OKUVAJQTTYHAEL-VXGBXAGGSA-N 2 2 280.372 0.425 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001391096405 910879029 /nfs/dbraw/zinc/87/90/29/910879029.db2.gz LDOLKXSHWDHBQD-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001391096405 910879038 /nfs/dbraw/zinc/87/90/38/910879038.db2.gz LDOLKXSHWDHBQD-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP CC[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)c1nc(C)no1)[NH+](C)C ZINC001391227244 910991297 /nfs/dbraw/zinc/99/12/97/910991297.db2.gz LCDGIEYAKBIXCJ-JQWIXIFHSA-N 2 2 297.403 0.827 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC/C=C\C[NH2+]CCCO)c[nH+]1 ZINC001321108926 911089800 /nfs/dbraw/zinc/08/98/00/911089800.db2.gz HCRRMISADZFOAQ-PLNGDYQASA-N 2 2 294.399 0.571 20 0 CCADLP CCN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001391638312 911282555 /nfs/dbraw/zinc/28/25/55/911282555.db2.gz CUYOQKJBNSJNPN-GXTWGEPZSA-N 2 2 294.399 0.646 20 0 CCADLP CCN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001391638312 911282573 /nfs/dbraw/zinc/28/25/73/911282573.db2.gz CUYOQKJBNSJNPN-GXTWGEPZSA-N 2 2 294.399 0.646 20 0 CCADLP CCN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001391638312 911282588 /nfs/dbraw/zinc/28/25/88/911282588.db2.gz CUYOQKJBNSJNPN-GXTWGEPZSA-N 2 2 294.399 0.646 20 0 CCADLP CCN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001391638312 911282602 /nfs/dbraw/zinc/28/26/02/911282602.db2.gz CUYOQKJBNSJNPN-GXTWGEPZSA-N 2 2 294.399 0.646 20 0 CCADLP CO[C@@H](C[NH2+]C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1)C1CCC1 ZINC001392521074 911883392 /nfs/dbraw/zinc/88/33/92/911883392.db2.gz RRCIDLIQZHMUSW-YPMHNXCESA-N 2 2 294.399 0.862 20 0 CCADLP CN(CCC[NH2+]CC1CCOCC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001322757419 911941617 /nfs/dbraw/zinc/94/16/17/911941617.db2.gz RORDUHCAAJVIHJ-UHFFFAOYSA-N 2 2 294.399 0.817 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C2CCC2)[nH]1 ZINC001398951382 914972410 /nfs/dbraw/zinc/97/24/10/914972410.db2.gz OVMMIYSSMSMZTR-JTQLQIEISA-N 2 2 294.403 0.192 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)C2CCC2)[nH]1 ZINC001398951382 914972428 /nfs/dbraw/zinc/97/24/28/914972428.db2.gz OVMMIYSSMSMZTR-JTQLQIEISA-N 2 2 294.403 0.192 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]CC1CC1 ZINC001398975253 914979254 /nfs/dbraw/zinc/97/92/54/914979254.db2.gz XMFIVZPTCHCQJD-AAEUAGOBSA-N 2 2 276.384 0.950 20 0 CCADLP [NH3+]CC[C@@H](NC(=O)C[C@H]([NH3+])C(F)F)C(F)(F)F ZINC001343505459 923356042 /nfs/dbraw/zinc/35/60/42/923356042.db2.gz NHBRTBXBSZUVRN-CRCLSJGQSA-N 2 2 263.210 0.365 20 0 CCADLP CCc1cnc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001399101197 915046311 /nfs/dbraw/zinc/04/63/11/915046311.db2.gz FFWCAAQNOQLKFO-RYUDHWBXSA-N 2 2 294.399 0.783 20 0 CCADLP CCc1cnc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001399101197 915046332 /nfs/dbraw/zinc/04/63/32/915046332.db2.gz FFWCAAQNOQLKFO-RYUDHWBXSA-N 2 2 294.399 0.783 20 0 CCADLP C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001328646172 915329212 /nfs/dbraw/zinc/32/92/12/915329212.db2.gz LVJARVODHWIQRQ-GHMZBOCLSA-N 2 2 250.346 0.560 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCN(C)C(=O)[C@H]2CCC[N@@H+]2C)[nH]1 ZINC001400049558 915528738 /nfs/dbraw/zinc/52/87/38/915528738.db2.gz IOTSMRCXLPMKBI-ZYHUDNBSSA-N 2 2 294.403 0.316 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCN(C)C(=O)[C@H]2CCC[N@H+]2C)[nH]1 ZINC001400049558 915528746 /nfs/dbraw/zinc/52/87/46/915528746.db2.gz IOTSMRCXLPMKBI-ZYHUDNBSSA-N 2 2 294.403 0.316 20 0 CCADLP C[N@H+](CCO)CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001400237382 915636889 /nfs/dbraw/zinc/63/68/89/915636889.db2.gz IJWSBGBLRWQWPA-UHFFFAOYSA-N 2 2 280.372 0.046 20 0 CCADLP C[N@@H+](CCO)CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001400237382 915636898 /nfs/dbraw/zinc/63/68/98/915636898.db2.gz IJWSBGBLRWQWPA-UHFFFAOYSA-N 2 2 280.372 0.046 20 0 CCADLP C[N@H+](CCO)CC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001400249547 915641728 /nfs/dbraw/zinc/64/17/28/915641728.db2.gz IRVFEUZBAUNBJJ-UHFFFAOYSA-N 2 2 294.399 0.436 20 0 CCADLP C[N@@H+](CCO)CC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001400249547 915641740 /nfs/dbraw/zinc/64/17/40/915641740.db2.gz IRVFEUZBAUNBJJ-UHFFFAOYSA-N 2 2 294.399 0.436 20 0 CCADLP CC(C)CCC[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001400340361 915686701 /nfs/dbraw/zinc/68/67/01/915686701.db2.gz NBVGPOOCKPGHQR-AWEZNQCLSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)CCC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001400340361 915686704 /nfs/dbraw/zinc/68/67/04/915686704.db2.gz NBVGPOOCKPGHQR-AWEZNQCLSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001418049873 921789749 /nfs/dbraw/zinc/78/97/49/921789749.db2.gz ICOOZZAEGHJVOX-NSHDSACASA-N 2 2 297.428 0.569 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001418049873 921789754 /nfs/dbraw/zinc/78/97/54/921789754.db2.gz ICOOZZAEGHJVOX-NSHDSACASA-N 2 2 297.428 0.569 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NC2C[NH+](CCOC(C)C)C2)CC[N@@H+]1C ZINC001400351169 915697670 /nfs/dbraw/zinc/69/76/70/915697670.db2.gz LAXJEFCXUICAFS-LSDHHAIUSA-N 2 2 297.443 0.942 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NC2C[NH+](CCOC(C)C)C2)CC[N@H+]1C ZINC001400351169 915697683 /nfs/dbraw/zinc/69/76/83/915697683.db2.gz LAXJEFCXUICAFS-LSDHHAIUSA-N 2 2 297.443 0.942 20 0 CCADLP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nc(C)no1 ZINC001400903048 915979620 /nfs/dbraw/zinc/97/96/20/915979620.db2.gz UGPNMDYDEMQLCU-NWDGAFQWSA-N 2 2 295.387 0.314 20 0 CCADLP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1nc(C)no1 ZINC001400903048 915979631 /nfs/dbraw/zinc/97/96/31/915979631.db2.gz UGPNMDYDEMQLCU-NWDGAFQWSA-N 2 2 295.387 0.314 20 0 CCADLP COCCC[N@H+](C)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001329601578 916051536 /nfs/dbraw/zinc/05/15/36/916051536.db2.gz UGXZPDWQDKFJEO-LLVKDONJSA-N 2 2 282.388 0.734 20 0 CCADLP COCCC[N@@H+](C)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001329601578 916051552 /nfs/dbraw/zinc/05/15/52/916051552.db2.gz UGXZPDWQDKFJEO-LLVKDONJSA-N 2 2 282.388 0.734 20 0 CCADLP COC(OC)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001329833158 916210551 /nfs/dbraw/zinc/21/05/51/916210551.db2.gz FZTDZFAQHGUNAN-UHFFFAOYSA-N 2 2 299.415 0.280 20 0 CCADLP CN(CC[N@H+](C)Cc1ccnn1C)C(=O)CC[NH+](C)C ZINC001401383521 916229652 /nfs/dbraw/zinc/22/96/52/916229652.db2.gz DFPYVHZQDNQCIP-UHFFFAOYSA-N 2 2 281.404 0.262 20 0 CCADLP CN(CC[N@@H+](C)Cc1ccnn1C)C(=O)CC[NH+](C)C ZINC001401383521 916229660 /nfs/dbraw/zinc/22/96/60/916229660.db2.gz DFPYVHZQDNQCIP-UHFFFAOYSA-N 2 2 281.404 0.262 20 0 CCADLP CC[NH2+]C[C@H](O)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001401502453 916288505 /nfs/dbraw/zinc/28/85/05/916288505.db2.gz HOYHBFPJQHKDFM-LBPRGKRZSA-N 2 2 276.340 0.343 20 0 CCADLP OC[C@H](CCF)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001329939960 916296979 /nfs/dbraw/zinc/29/69/79/916296979.db2.gz JRLCFIHBOYUMFA-QWHCGFSZSA-N 2 2 260.353 0.550 20 0 CCADLP CC[C@H](C)C[NH2+]C[C@@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001401566207 916331099 /nfs/dbraw/zinc/33/10/99/916331099.db2.gz MISGBLJKJQNDIM-CMPLNLGQSA-N 2 2 282.388 0.373 20 0 CCADLP C[C@@H](C[NH2+]Cc1csnn1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001401707401 916498187 /nfs/dbraw/zinc/49/81/87/916498187.db2.gz KUAKUJGRXJZYEF-QWRGUYRKSA-N 2 2 297.428 0.474 20 0 CCADLP C[C@@H](C[NH2+]Cc1csnn1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001401707401 916498196 /nfs/dbraw/zinc/49/81/96/916498196.db2.gz KUAKUJGRXJZYEF-QWRGUYRKSA-N 2 2 297.428 0.474 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH+](C)CCF)C1 ZINC001401795406 916594413 /nfs/dbraw/zinc/59/44/13/916594413.db2.gz ARRBTBLJHSQKFX-NWDGAFQWSA-N 2 2 275.368 0.113 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)C[NH+](C)CCF)C1 ZINC001401795406 916594423 /nfs/dbraw/zinc/59/44/23/916594423.db2.gz ARRBTBLJHSQKFX-NWDGAFQWSA-N 2 2 275.368 0.113 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCF)C1 ZINC001401795406 916594433 /nfs/dbraw/zinc/59/44/33/916594433.db2.gz ARRBTBLJHSQKFX-NWDGAFQWSA-N 2 2 275.368 0.113 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCF)C1 ZINC001401795406 916594448 /nfs/dbraw/zinc/59/44/48/916594448.db2.gz ARRBTBLJHSQKFX-NWDGAFQWSA-N 2 2 275.368 0.113 20 0 CCADLP CN1C[C@H](C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)OC1=O ZINC001330568052 916705976 /nfs/dbraw/zinc/70/59/76/916705976.db2.gz RKHJGHARRYITCI-TZMCWYRMSA-N 2 2 267.373 0.855 20 0 CCADLP CN1C[C@H](C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)OC1=O ZINC001330568052 916705986 /nfs/dbraw/zinc/70/59/86/916705986.db2.gz RKHJGHARRYITCI-TZMCWYRMSA-N 2 2 267.373 0.855 20 0 CCADLP CN1C[C@H](C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)OC1=O ZINC001330568052 916706000 /nfs/dbraw/zinc/70/60/00/916706000.db2.gz RKHJGHARRYITCI-TZMCWYRMSA-N 2 2 267.373 0.855 20 0 CCADLP CN1C[C@H](C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)OC1=O ZINC001330568052 916706014 /nfs/dbraw/zinc/70/60/14/916706014.db2.gz RKHJGHARRYITCI-TZMCWYRMSA-N 2 2 267.373 0.855 20 0 CCADLP CN1CC[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1=O ZINC001330608732 916740238 /nfs/dbraw/zinc/74/02/38/916740238.db2.gz KISUCQIWXZNWDL-QWHCGFSZSA-N 2 2 267.373 0.060 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001402070387 916791585 /nfs/dbraw/zinc/79/15/85/916791585.db2.gz HGBMUPZYEXFDAF-OLZOCXBDSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@]1(CNC(=O)Cn2cc[nH+]c2)CCC[N@H+](CCCO)C1 ZINC001402224368 916875942 /nfs/dbraw/zinc/87/59/42/916875942.db2.gz VBYGZTFDMRPHNZ-OAHLLOKOSA-N 2 2 294.399 0.484 20 0 CCADLP C[C@]1(CNC(=O)Cn2cc[nH+]c2)CCC[N@@H+](CCCO)C1 ZINC001402224368 916875956 /nfs/dbraw/zinc/87/59/56/916875956.db2.gz VBYGZTFDMRPHNZ-OAHLLOKOSA-N 2 2 294.399 0.484 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001402464231 917039250 /nfs/dbraw/zinc/03/92/50/917039250.db2.gz DMYZRVHIAYJEHP-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@@H]([NH2+]Cc1cncn1C)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001403039656 917439854 /nfs/dbraw/zinc/43/98/54/917439854.db2.gz PBNNLLBTOQLQCI-MNOVXSKESA-N 2 2 290.371 0.369 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cccnc1 ZINC001403063905 917452149 /nfs/dbraw/zinc/45/21/49/917452149.db2.gz BEZSVKUFQQTOIM-NSHDSACASA-N 2 2 273.340 0.642 20 0 CCADLP CO[C@@H](C)C[N@H+](C)[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001403188016 917567284 /nfs/dbraw/zinc/56/72/84/917567284.db2.gz VPMNWHRAQTUDCC-RYUDHWBXSA-N 2 2 282.388 0.434 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001403188016 917567298 /nfs/dbraw/zinc/56/72/98/917567298.db2.gz VPMNWHRAQTUDCC-RYUDHWBXSA-N 2 2 282.388 0.434 20 0 CCADLP CC(C)CC[NH2+][C@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001331805247 917621867 /nfs/dbraw/zinc/62/18/67/917621867.db2.gz NVVHHUPQBYYXBI-NSHDSACASA-N 2 2 268.361 0.065 20 0 CCADLP c1cn(CCC[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)c[nH+]1 ZINC001331890551 917695770 /nfs/dbraw/zinc/69/57/70/917695770.db2.gz JQDAJDWFFWBGMM-ZDUSSCGKSA-N 2 2 290.371 0.691 20 0 CCADLP C[C@@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)S(C)(=O)=O ZINC001331973861 917774628 /nfs/dbraw/zinc/77/46/28/917774628.db2.gz XWVVCMKLMNETFN-DTWKUNHWSA-N 2 2 257.359 0.290 20 0 CCADLP O=C(NC1CC1)[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]2)C1 ZINC001331996364 917789409 /nfs/dbraw/zinc/78/94/09/917789409.db2.gz KGXPWPVIJFCDSC-DGCLKSJQSA-N 2 2 251.374 0.729 20 0 CCADLP O=C(NC1CC1)[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]2)C1 ZINC001331996364 917789413 /nfs/dbraw/zinc/78/94/13/917789413.db2.gz KGXPWPVIJFCDSC-DGCLKSJQSA-N 2 2 251.374 0.729 20 0 CCADLP COCCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001332033748 917812015 /nfs/dbraw/zinc/81/20/15/917812015.db2.gz WGVQCCREDUCZAS-CHWSQXEVSA-N 2 2 294.399 0.958 20 0 CCADLP COCCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001332033749 917812391 /nfs/dbraw/zinc/81/23/91/917812391.db2.gz WGVQCCREDUCZAS-OLZOCXBDSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCCF)CN1C(=O)Cc1c[nH+]cn1C ZINC001332052286 917826251 /nfs/dbraw/zinc/82/62/51/917826251.db2.gz XZAASIBHDHWONJ-NWDGAFQWSA-N 2 2 282.363 0.901 20 0 CCADLP COCCC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC001332219204 917962849 /nfs/dbraw/zinc/96/28/49/917962849.db2.gz NJXDEVCXUCQZJF-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP COCCC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC001332219204 917962855 /nfs/dbraw/zinc/96/28/55/917962855.db2.gz NJXDEVCXUCQZJF-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@H](C(=O)N[C@@H]1C[NH2+]CCC1(F)F)n1cc[nH+]c1 ZINC001332515349 918243735 /nfs/dbraw/zinc/24/37/35/918243735.db2.gz GGVYSFQCXJGJAG-RKDXNWHRSA-N 2 2 258.272 0.558 20 0 CCADLP CC[N@H+](C)CCC(=O)N(C)CC[NH2+][C@H](C)c1csnn1 ZINC001404431867 918344925 /nfs/dbraw/zinc/34/49/25/918344925.db2.gz CRHXHYYDRRGLCU-LLVKDONJSA-N 2 2 299.444 0.989 20 0 CCADLP CC[N@@H+](C)CCC(=O)N(C)CC[NH2+][C@H](C)c1csnn1 ZINC001404431867 918344941 /nfs/dbraw/zinc/34/49/41/918344941.db2.gz CRHXHYYDRRGLCU-LLVKDONJSA-N 2 2 299.444 0.989 20 0 CCADLP CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001404441391 918348913 /nfs/dbraw/zinc/34/89/13/918348913.db2.gz PTVXMTFHWGMSIG-CHWSQXEVSA-N 2 2 298.431 0.125 20 0 CCADLP C[C@H](O)[C@@H](O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001332701408 918392042 /nfs/dbraw/zinc/39/20/42/918392042.db2.gz VTEUSDWDMVFMLP-XQQFMLRXSA-N 2 2 267.373 0.416 20 0 CCADLP C[C@H](O)[C@@H](O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001332701408 918392056 /nfs/dbraw/zinc/39/20/56/918392056.db2.gz VTEUSDWDMVFMLP-XQQFMLRXSA-N 2 2 267.373 0.416 20 0 CCADLP Cc1[nH]c(C[NH2+][C@@H](CO)C2CCOCC2)c(C)[nH+]1 ZINC001332819284 918458515 /nfs/dbraw/zinc/45/85/15/918458515.db2.gz BGLSDMCCEWYTLF-ZDUSSCGKSA-N 2 2 253.346 0.904 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)CCc2[nH+]ccn2C)C1 ZINC001405115737 918608353 /nfs/dbraw/zinc/60/83/53/918608353.db2.gz GFSDZRMFWKGNNF-QWHCGFSZSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CCc2[nH+]ccn2C)C1 ZINC001405115737 918608364 /nfs/dbraw/zinc/60/83/64/918608364.db2.gz GFSDZRMFWKGNNF-QWHCGFSZSA-N 2 2 294.399 0.266 20 0 CCADLP C[NH+]1CCC(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001333089711 918644657 /nfs/dbraw/zinc/64/46/57/918644657.db2.gz JEDOPCGLCYUAKG-UHFFFAOYSA-N 2 2 250.346 0.800 20 0 CCADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cccnc1 ZINC001405375208 918745974 /nfs/dbraw/zinc/74/59/74/918745974.db2.gz VFNZAPCYMTXKPV-CQSZACIVSA-N 2 2 287.367 0.963 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)[C@@H](C)C(N)=O ZINC001406099581 919046550 /nfs/dbraw/zinc/04/65/50/919046550.db2.gz DHDNPZJFBSFMIS-STQMWFEESA-N 2 2 298.431 0.125 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)[C@@H](C)C(N)=O ZINC001406099581 919046567 /nfs/dbraw/zinc/04/65/67/919046567.db2.gz DHDNPZJFBSFMIS-STQMWFEESA-N 2 2 298.431 0.125 20 0 CCADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)[C@@H](C)C(N)=O ZINC001406099581 919046578 /nfs/dbraw/zinc/04/65/78/919046578.db2.gz DHDNPZJFBSFMIS-STQMWFEESA-N 2 2 298.431 0.125 20 0 CCADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)[C@@H](C)C(N)=O ZINC001406099581 919046586 /nfs/dbraw/zinc/04/65/86/919046586.db2.gz DHDNPZJFBSFMIS-STQMWFEESA-N 2 2 298.431 0.125 20 0 CCADLP C[C@@H](O)CCC[N@@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001406172817 919088282 /nfs/dbraw/zinc/08/82/82/919088282.db2.gz PVBJHKPRKJXYDX-CYBMUJFWSA-N 2 2 282.388 0.434 20 0 CCADLP C[C@@H](O)CCC[N@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001406172817 919088270 /nfs/dbraw/zinc/08/82/70/919088270.db2.gz PVBJHKPRKJXYDX-CYBMUJFWSA-N 2 2 282.388 0.434 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)Cc1cncn1C ZINC001406164256 919090690 /nfs/dbraw/zinc/09/06/90/919090690.db2.gz GQWANTXZRUXPRF-UHFFFAOYSA-N 2 2 295.431 0.651 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH+](C)Cc1cncn1C ZINC001406164256 919090703 /nfs/dbraw/zinc/09/07/03/919090703.db2.gz GQWANTXZRUXPRF-UHFFFAOYSA-N 2 2 295.431 0.651 20 0 CCADLP CC(C)[NH+](C)CC(=O)N(C)CC[N@@H+](C)Cc1cncn1C ZINC001406164256 919090737 /nfs/dbraw/zinc/09/07/37/919090737.db2.gz GQWANTXZRUXPRF-UHFFFAOYSA-N 2 2 295.431 0.651 20 0 CCADLP C[C@H](C[NH2+]CC1CC1)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001406374521 919223071 /nfs/dbraw/zinc/22/30/71/919223071.db2.gz PMKRWQXBGWOAPW-DGCLKSJQSA-N 2 2 276.384 0.950 20 0 CCADLP C[C@@H](C[NH2+]Cc1cscn1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001406452943 919279146 /nfs/dbraw/zinc/27/91/46/919279146.db2.gz KXQGSIPSTDEFJU-CMPLNLGQSA-N 2 2 298.412 0.068 20 0 CCADLP C[C@@H](C[NH2+]Cc1cscn1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001406452943 919279156 /nfs/dbraw/zinc/27/91/56/919279156.db2.gz KXQGSIPSTDEFJU-CMPLNLGQSA-N 2 2 298.412 0.068 20 0 CCADLP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)Cc1ccn(C)n1 ZINC001406704876 919435958 /nfs/dbraw/zinc/43/59/58/919435958.db2.gz WIFRYNFMAUHCFW-ZDUSSCGKSA-N 2 2 295.431 0.698 20 0 CCADLP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)Cc1ccn(C)n1 ZINC001406704876 919435965 /nfs/dbraw/zinc/43/59/65/919435965.db2.gz WIFRYNFMAUHCFW-ZDUSSCGKSA-N 2 2 295.431 0.698 20 0 CCADLP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@H+](C)Cc1ccn(C)n1 ZINC001406704876 919435972 /nfs/dbraw/zinc/43/59/72/919435972.db2.gz WIFRYNFMAUHCFW-ZDUSSCGKSA-N 2 2 295.431 0.698 20 0 CCADLP CC[NH+](C)CCC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccn(C)n1 ZINC001406704876 919435984 /nfs/dbraw/zinc/43/59/84/919435984.db2.gz WIFRYNFMAUHCFW-ZDUSSCGKSA-N 2 2 295.431 0.698 20 0 CCADLP [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCn3c[nH+]cc3C2)C1 ZINC001334260693 919463111 /nfs/dbraw/zinc/46/31/11/919463111.db2.gz DXZAOLOMKLICEC-MNOVXSKESA-N 2 2 263.345 0.678 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]Cc2ccon2)CC1 ZINC001406934385 919545293 /nfs/dbraw/zinc/54/52/93/919545293.db2.gz CZUPSUFHSPVEEB-ZDUSSCGKSA-N 2 2 292.383 0.897 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]Cc2ccon2)CC1 ZINC001406934385 919545300 /nfs/dbraw/zinc/54/53/00/919545300.db2.gz CZUPSUFHSPVEEB-ZDUSSCGKSA-N 2 2 292.383 0.897 20 0 CCADLP CO[C@H](C)C[NH2+]C1(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001406952468 919550319 /nfs/dbraw/zinc/55/03/19/919550319.db2.gz YTGIVSPARJKFFN-LLVKDONJSA-N 2 2 280.372 0.616 20 0 CCADLP CO[C@H](C)C[NH2+]C1(CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001406952468 919550330 /nfs/dbraw/zinc/55/03/30/919550330.db2.gz YTGIVSPARJKFFN-LLVKDONJSA-N 2 2 280.372 0.616 20 0 CCADLP O=C(C[NH+]1CCCC1)NCC1([NH2+]Cc2nncs2)CC1 ZINC001407010595 919573592 /nfs/dbraw/zinc/57/35/92/919573592.db2.gz GZXJCVSKWVBXBV-UHFFFAOYSA-N 2 2 295.412 0.372 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001407098234 919614792 /nfs/dbraw/zinc/61/47/92/919614792.db2.gz HQRAMTINXSAMOH-VXGBXAGGSA-N 2 2 280.372 0.568 20 0 CCADLP COCC[C@H]([NH3+])c1nc([C@H]2C[NH+]3CCC2CC3)no1 ZINC001334856221 919801562 /nfs/dbraw/zinc/80/15/62/919801562.db2.gz CLUPBIQUMRPDLH-QWRGUYRKSA-N 2 2 266.345 0.915 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H]([NH2+]CCC(=O)NC(N)=O)C1 ZINC001335428158 920189174 /nfs/dbraw/zinc/18/91/74/920189174.db2.gz CQDMGJIFALKGLX-JTQLQIEISA-N 2 2 256.350 0.034 20 0 CCADLP CC(C)[N@H+]1CCC[C@H]([NH2+]CCC(=O)NC(N)=O)C1 ZINC001335428158 920189183 /nfs/dbraw/zinc/18/91/83/920189183.db2.gz CQDMGJIFALKGLX-JTQLQIEISA-N 2 2 256.350 0.034 20 0 CCADLP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC001335445386 920195642 /nfs/dbraw/zinc/19/56/42/920195642.db2.gz RPTIAWVZWRCRLT-JKSUJKDBSA-N 3 2 298.475 0.059 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC001335443185 920197990 /nfs/dbraw/zinc/19/79/90/920197990.db2.gz CYZDZVXMQACBET-IHRRRGAJSA-N 2 2 274.405 0.330 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC001335443185 920198001 /nfs/dbraw/zinc/19/80/01/920198001.db2.gz CYZDZVXMQACBET-IHRRRGAJSA-N 2 2 274.405 0.330 20 0 CCADLP Nc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)nn1 ZINC001336287247 920702507 /nfs/dbraw/zinc/70/25/07/920702507.db2.gz ZGGLUKDGTOUPKH-QMMMGPOBSA-N 2 2 257.288 0.393 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C1([NH3+])CCC1 ZINC001336742594 920971511 /nfs/dbraw/zinc/97/15/11/920971511.db2.gz QXTDNPJHZFXGPO-NSHDSACASA-N 2 2 255.362 0.095 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C1([NH3+])CCC1 ZINC001336742594 920971519 /nfs/dbraw/zinc/97/15/19/920971519.db2.gz QXTDNPJHZFXGPO-NSHDSACASA-N 2 2 255.362 0.095 20 0 CCADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CCn1cccn1 ZINC001418255177 921963940 /nfs/dbraw/zinc/96/39/40/921963940.db2.gz GWMZHOYHSVEHTN-CYBMUJFWSA-N 2 2 290.371 0.264 20 0 CCADLP Cc1cnc(C[NH2+][C@@H](C)CNC(=O)C[N@@H+]2CC[C@@H](C)C2)o1 ZINC001418277401 921984589 /nfs/dbraw/zinc/98/45/89/921984589.db2.gz VZLGRKBPKITTRK-NEPJUHHUSA-N 2 2 294.399 0.919 20 0 CCADLP Cc1cnc(C[NH2+][C@@H](C)CNC(=O)C[N@H+]2CC[C@@H](C)C2)o1 ZINC001418277401 921984597 /nfs/dbraw/zinc/98/45/97/921984597.db2.gz VZLGRKBPKITTRK-NEPJUHHUSA-N 2 2 294.399 0.919 20 0 CCADLP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+]Cc1nnc(C)o1 ZINC001418304146 922005401 /nfs/dbraw/zinc/00/54/01/922005401.db2.gz PXPMQNWAEZHZIH-SNVBAGLBSA-N 2 2 283.376 0.314 20 0 CCADLP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+]Cc1nnc(C)o1 ZINC001418304146 922005414 /nfs/dbraw/zinc/00/54/14/922005414.db2.gz PXPMQNWAEZHZIH-SNVBAGLBSA-N 2 2 283.376 0.314 20 0 CCADLP C[NH2+]C1(C(=O)NCC[N@@H+]2CCOCC2(C)C)CCC1 ZINC001340205026 922008708 /nfs/dbraw/zinc/00/87/08/922008708.db2.gz INXIGWIVWTVEKK-UHFFFAOYSA-N 2 2 269.389 0.356 20 0 CCADLP C[NH2+]C1(C(=O)NCC[N@H+]2CCOCC2(C)C)CCC1 ZINC001340205026 922008728 /nfs/dbraw/zinc/00/87/28/922008728.db2.gz INXIGWIVWTVEKK-UHFFFAOYSA-N 2 2 269.389 0.356 20 0 CCADLP C[N@H+](CCCF)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001418470179 922154512 /nfs/dbraw/zinc/15/45/12/922154512.db2.gz JYKOOBBCFWXSQJ-GFCCVEGCSA-N 2 2 282.363 0.853 20 0 CCADLP C[N@@H+](CCCF)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001418470179 922154522 /nfs/dbraw/zinc/15/45/22/922154522.db2.gz JYKOOBBCFWXSQJ-GFCCVEGCSA-N 2 2 282.363 0.853 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC[NH2+]1 ZINC001340923689 922280016 /nfs/dbraw/zinc/28/00/16/922280016.db2.gz SWFYQUCKGYKHTL-GRYCIOLGSA-N 2 2 262.357 0.702 20 0 CCADLP COCC[N@H+](C)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001418940376 922496036 /nfs/dbraw/zinc/49/60/36/922496036.db2.gz IWNZQMUHGKKLLR-CYBMUJFWSA-N 2 2 280.372 0.310 20 0 CCADLP COCC[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001418940376 922496039 /nfs/dbraw/zinc/49/60/39/922496039.db2.gz IWNZQMUHGKKLLR-CYBMUJFWSA-N 2 2 280.372 0.310 20 0 CCADLP COCC[N@H+](C)CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001418944663 922500205 /nfs/dbraw/zinc/50/02/05/922500205.db2.gz ILUUDJQADDCENQ-UHFFFAOYSA-N 2 2 294.399 0.769 20 0 CCADLP COCC[N@@H+](C)CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001418944663 922500216 /nfs/dbraw/zinc/50/02/16/922500216.db2.gz ILUUDJQADDCENQ-UHFFFAOYSA-N 2 2 294.399 0.769 20 0 CCADLP CC(C)C[C@@H](C(=O)NCC1C[NH+](CCO)C1)n1cc[nH+]c1 ZINC001419019861 922575366 /nfs/dbraw/zinc/57/53/66/922575366.db2.gz NRQNVTIHSCCCHU-AWEZNQCLSA-N 2 2 294.399 0.511 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2nnc(C)[nH]2)C1 ZINC001419387482 922796303 /nfs/dbraw/zinc/79/63/03/922796303.db2.gz URXJXMZLZFORDM-LBPRGKRZSA-N 2 2 294.403 0.145 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2nnc(C)[nH]2)C1 ZINC001419387482 922796318 /nfs/dbraw/zinc/79/63/18/922796318.db2.gz URXJXMZLZFORDM-LBPRGKRZSA-N 2 2 294.403 0.145 20 0 CCADLP C[NH2+]CCCC(=O)N[C@@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC001342142948 922827836 /nfs/dbraw/zinc/82/78/36/922827836.db2.gz MYPHTDZSKYSVSU-GFCCVEGCSA-N 2 2 294.399 0.157 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001419472440 922860920 /nfs/dbraw/zinc/86/09/20/922860920.db2.gz VYMNFACKHCMKCG-BNOWGMLFSA-N 2 2 292.383 0.616 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001419472440 922860930 /nfs/dbraw/zinc/86/09/30/922860930.db2.gz VYMNFACKHCMKCG-BNOWGMLFSA-N 2 2 292.383 0.616 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)CCc1[nH+]ccn1C ZINC001419682931 922988914 /nfs/dbraw/zinc/98/89/14/922988914.db2.gz DSYVOAFBRVFFRZ-VXGBXAGGSA-N 2 2 282.388 0.170 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]([NH3+])CC1CC1 ZINC001342609702 923023495 /nfs/dbraw/zinc/02/34/95/923023495.db2.gz VXGXKSJEKCRGTM-STQMWFEESA-N 2 2 269.389 0.341 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]([NH3+])CC1CC1 ZINC001342609700 923024639 /nfs/dbraw/zinc/02/46/39/923024639.db2.gz VXGXKSJEKCRGTM-OLZOCXBDSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)CCc1c[nH+]cn1C ZINC001419737459 923055403 /nfs/dbraw/zinc/05/54/03/923055403.db2.gz GKILIZDBLDPFHR-VXGBXAGGSA-N 2 2 282.388 0.170 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@@H](C)[NH2+]C[C@H](C)O)c[nH+]1 ZINC001419777533 923089384 /nfs/dbraw/zinc/08/93/84/923089384.db2.gz STYBLQXLGUOPNT-PWSUYJOCSA-N 2 2 282.388 0.402 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+]C[C@H]1CCOC1 ZINC001419910914 923159279 /nfs/dbraw/zinc/15/92/79/923159279.db2.gz UYMIDSUOTUTBNU-CMPLNLGQSA-N 2 2 280.372 0.391 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001343148058 923219839 /nfs/dbraw/zinc/21/98/39/923219839.db2.gz VLDIYWIQGQJJDM-SMDDNHRTSA-N 2 2 262.357 0.943 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001343148058 923219854 /nfs/dbraw/zinc/21/98/54/923219854.db2.gz VLDIYWIQGQJJDM-SMDDNHRTSA-N 2 2 262.357 0.943 20 0 CCADLP C[C@@H]1C[C@@H](N(C)C(=O)C[C@@H]([NH3+])C(F)F)CC[N@@H+]1C ZINC001343440358 923316649 /nfs/dbraw/zinc/31/66/49/923316649.db2.gz XYFRGMMGGPINBQ-KXUCPTDWSA-N 2 2 263.332 0.910 20 0 CCADLP C[C@@H]1C[C@@H](N(C)C(=O)C[C@@H]([NH3+])C(F)F)CC[N@H+]1C ZINC001343440358 923316665 /nfs/dbraw/zinc/31/66/65/923316665.db2.gz XYFRGMMGGPINBQ-KXUCPTDWSA-N 2 2 263.332 0.910 20 0 CCADLP CC[C@@H](C(=O)NC[C@H](C)[NH3+])[N@@H+]1CCO[C@H](CC)C1 ZINC001343487187 923344287 /nfs/dbraw/zinc/34/42/87/923344287.db2.gz LYWLSPZMHMVBMU-TUAOUCFPSA-N 2 2 257.378 0.339 20 0 CCADLP CC[C@@H](C(=O)NC[C@H](C)[NH3+])[N@H+]1CCO[C@H](CC)C1 ZINC001343487187 923344298 /nfs/dbraw/zinc/34/42/98/923344298.db2.gz LYWLSPZMHMVBMU-TUAOUCFPSA-N 2 2 257.378 0.339 20 0 CCADLP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH3+])C1)[N@@H+]1CCO[C@H](CC)C1 ZINC001343610495 923389602 /nfs/dbraw/zinc/38/96/02/923389602.db2.gz XPXHPAXFPCFAMI-LPWJVIDDSA-N 2 2 269.389 0.482 20 0 CCADLP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH3+])C1)[N@H+]1CCO[C@H](CC)C1 ZINC001343610495 923389620 /nfs/dbraw/zinc/38/96/20/923389620.db2.gz XPXHPAXFPCFAMI-LPWJVIDDSA-N 2 2 269.389 0.482 20 0 CCADLP C[N@H+](CCNC(=O)CCc1c[nH]c[nH+]1)C[C@@H]1CCCCO1 ZINC001420232482 923438901 /nfs/dbraw/zinc/43/89/01/923438901.db2.gz QDAMUKBFPAVJMG-AWEZNQCLSA-N 2 2 294.399 0.959 20 0 CCADLP C[N@@H+](CCNC(=O)CCc1c[nH]c[nH+]1)C[C@@H]1CCCCO1 ZINC001420232482 923438911 /nfs/dbraw/zinc/43/89/11/923438911.db2.gz QDAMUKBFPAVJMG-AWEZNQCLSA-N 2 2 294.399 0.959 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC001343736457 923453466 /nfs/dbraw/zinc/45/34/66/923453466.db2.gz KASPUGBLSMKGTO-XEVLESSRSA-N 2 2 295.427 0.721 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC001343947231 923513958 /nfs/dbraw/zinc/51/39/58/923513958.db2.gz ZQFGZBLXVOJPBV-OUAUKWLOSA-N 2 2 250.346 0.927 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC001343947231 923513970 /nfs/dbraw/zinc/51/39/70/923513970.db2.gz ZQFGZBLXVOJPBV-OUAUKWLOSA-N 2 2 250.346 0.927 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnsn1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001420438096 923663548 /nfs/dbraw/zinc/66/35/48/923663548.db2.gz WDRYMAVHDWGIOA-CMPLNLGQSA-N 2 2 297.428 0.617 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnsn1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001420438096 923663556 /nfs/dbraw/zinc/66/35/56/923663556.db2.gz WDRYMAVHDWGIOA-CMPLNLGQSA-N 2 2 297.428 0.617 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001420533526 923753986 /nfs/dbraw/zinc/75/39/86/923753986.db2.gz AFEKSEDRFZBQLI-CYBMUJFWSA-N 2 2 299.378 0.986 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001420533526 923754000 /nfs/dbraw/zinc/75/40/00/923754000.db2.gz AFEKSEDRFZBQLI-CYBMUJFWSA-N 2 2 299.378 0.986 20 0 CCADLP COC[C@@H](C)[NH2+]CCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001420725780 923906406 /nfs/dbraw/zinc/90/64/06/923906406.db2.gz KGKGVRAPNRYXEU-CHWSQXEVSA-N 2 2 282.388 0.917 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CCC([NH3+])CC1 ZINC001346057579 924060149 /nfs/dbraw/zinc/06/01/49/924060149.db2.gz PWVYUNRSRVZCCW-KIDURHIOSA-N 2 2 262.357 0.910 20 0 CCADLP C[C@@H]1CN(C(=O)NCCn2cc[nH+]c2)CC[C@H]1C[NH3+] ZINC001346150229 924085479 /nfs/dbraw/zinc/08/54/79/924085479.db2.gz KEUXXMOEPMGWFD-NEPJUHHUSA-N 2 2 265.361 0.509 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1([NH2+]CCn2cccn2)CC1 ZINC001421003891 924087945 /nfs/dbraw/zinc/08/79/45/924087945.db2.gz JXWDDMDBHZLMRJ-UHFFFAOYSA-N 2 2 288.355 0.018 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1C[NH+](CCF)C1 ZINC001421134517 924171539 /nfs/dbraw/zinc/17/15/39/924171539.db2.gz BFJNZRGXZIOHAH-CYBMUJFWSA-N 2 2 271.380 0.878 20 0 CCADLP C[N@H+]1CCC[C@@H]1CCC(=O)NCC1C[NH+](CCF)C1 ZINC001421134517 924171548 /nfs/dbraw/zinc/17/15/48/924171548.db2.gz BFJNZRGXZIOHAH-CYBMUJFWSA-N 2 2 271.380 0.878 20 0 CCADLP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCCCn1cc[nH+]c1 ZINC001347650380 924503509 /nfs/dbraw/zinc/50/35/09/924503509.db2.gz PSBXEOGWXHKLNJ-KBPBESRZSA-N 2 2 291.399 0.168 20 0 CCADLP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)NCCCCn1cc[nH+]c1 ZINC001347650380 924503515 /nfs/dbraw/zinc/50/35/15/924503515.db2.gz PSBXEOGWXHKLNJ-KBPBESRZSA-N 2 2 291.399 0.168 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC001349598657 925001940 /nfs/dbraw/zinc/00/19/40/925001940.db2.gz BCLCZBPTSJNKNG-WOPDTQHZSA-N 2 2 269.389 0.197 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC001349598657 925001953 /nfs/dbraw/zinc/00/19/53/925001953.db2.gz BCLCZBPTSJNKNG-WOPDTQHZSA-N 2 2 269.389 0.197 20 0 CCADLP Cc1cc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)[nH]n1 ZINC001351619824 925445756 /nfs/dbraw/zinc/44/57/56/925445756.db2.gz OXLHSUABCAKCHO-LBPRGKRZSA-N 2 2 265.361 0.148 20 0 CCADLP Cc1cc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)[nH]n1 ZINC001351619824 925445760 /nfs/dbraw/zinc/44/57/60/925445760.db2.gz OXLHSUABCAKCHO-LBPRGKRZSA-N 2 2 265.361 0.148 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC001352759009 925632756 /nfs/dbraw/zinc/63/27/56/925632756.db2.gz HVXFRUWDLCFBGX-GFCCVEGCSA-N 2 2 262.357 0.563 20 0 CCADLP CCC[NH2+]CCNC(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC001353591615 925877969 /nfs/dbraw/zinc/87/79/69/925877969.db2.gz QLHJNNRMDLNSTH-KGLIPLIRSA-N 2 2 285.432 0.992 20 0 CCADLP CCC[NH2+]CCNC(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC001353591615 925877976 /nfs/dbraw/zinc/87/79/76/925877976.db2.gz QLHJNNRMDLNSTH-KGLIPLIRSA-N 2 2 285.432 0.992 20 0 CCADLP Nc1cc(NC[C@@H]2CCC[N@@H+]2CCCO)nc[nH+]1 ZINC001354203525 926038172 /nfs/dbraw/zinc/03/81/72/926038172.db2.gz DKGODWZPCVOOTG-JTQLQIEISA-N 2 2 251.334 0.318 20 0 CCADLP Nc1cc(NC[C@@H]2CCC[N@H+]2CCCO)nc[nH+]1 ZINC001354203525 926038184 /nfs/dbraw/zinc/03/81/84/926038184.db2.gz DKGODWZPCVOOTG-JTQLQIEISA-N 2 2 251.334 0.318 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCOCC[NH3+] ZINC001354423497 926108258 /nfs/dbraw/zinc/10/82/58/926108258.db2.gz DFJDORSQUIQMMY-JTQLQIEISA-N 2 2 254.334 0.022 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCOCC[NH3+] ZINC001354423497 926108262 /nfs/dbraw/zinc/10/82/62/926108262.db2.gz DFJDORSQUIQMMY-JTQLQIEISA-N 2 2 254.334 0.022 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC001354853629 926174565 /nfs/dbraw/zinc/17/45/65/926174565.db2.gz FZIBQVPDCFCPSR-XEVLESSRSA-N 2 2 295.427 0.769 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C1(O)CCC1 ZINC001356609957 926409877 /nfs/dbraw/zinc/40/98/77/926409877.db2.gz VOCIXWIEXJDUCW-HZSPNIEDSA-N 2 2 268.401 0.869 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)C1(O)CCC1 ZINC001356609957 926409881 /nfs/dbraw/zinc/40/98/81/926409881.db2.gz VOCIXWIEXJDUCW-HZSPNIEDSA-N 2 2 268.401 0.869 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001358070536 926630375 /nfs/dbraw/zinc/63/03/75/926630375.db2.gz RMSADNWSQUWYQS-WOPDTQHZSA-N 2 2 262.357 0.417 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)Cc2cscn2)CC1 ZINC001358111213 926640429 /nfs/dbraw/zinc/64/04/29/926640429.db2.gz IXRRUUCIDYLIOW-UHFFFAOYSA-N 2 2 268.386 0.225 20 0 CCADLP C[C@H](O)C[NH2+]CC1(NC(=O)CCc2c[nH]c[nH+]2)CCCC1 ZINC001421510594 926785409 /nfs/dbraw/zinc/78/54/09/926785409.db2.gz ZTDCTEZIURORIH-LBPRGKRZSA-N 2 2 294.399 0.742 20 0 CCADLP C[C@H](O)C[NH2+]CC1(NC(=O)CCc2c[nH+]c[nH]2)CCCC1 ZINC001421510594 926785412 /nfs/dbraw/zinc/78/54/12/926785412.db2.gz ZTDCTEZIURORIH-LBPRGKRZSA-N 2 2 294.399 0.742 20 0 CCADLP CC[C@H](C(=O)NC[C@@H]1COCC[N@@H+]1CC1CCC1)[NH+](C)C ZINC001421697564 926863722 /nfs/dbraw/zinc/86/37/22/926863722.db2.gz AJOWYZWZAHVFQC-HUUCEWRRSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@H](C(=O)NC[C@@H]1COCC[N@H+]1CC1CCC1)[NH+](C)C ZINC001421697564 926863736 /nfs/dbraw/zinc/86/37/36/926863736.db2.gz AJOWYZWZAHVFQC-HUUCEWRRSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@@H](F)C[NH2+]C[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001421769359 926900094 /nfs/dbraw/zinc/90/00/94/926900094.db2.gz OBQMBHNLIQIEGD-VXGBXAGGSA-N 2 2 270.352 0.973 20 0 CCADLP Cn1nccc1CN1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC001414060738 926911735 /nfs/dbraw/zinc/91/17/35/926911735.db2.gz GLAAMEONQYUEDO-UHFFFAOYSA-N 2 2 288.399 0.825 20 0 CCADLP C[N@H+](CCO)CCC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001422044017 927050838 /nfs/dbraw/zinc/05/08/38/927050838.db2.gz ULMDPMYIXRZLDB-UHFFFAOYSA-N 2 2 294.399 0.505 20 0 CCADLP C[N@@H+](CCO)CCC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001422044017 927050851 /nfs/dbraw/zinc/05/08/51/927050851.db2.gz ULMDPMYIXRZLDB-UHFFFAOYSA-N 2 2 294.399 0.505 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C)([NH2+]C[C@H](C)O)CC1 ZINC001422068408 927057823 /nfs/dbraw/zinc/05/78/23/927057823.db2.gz PRTANAZNKNHZDA-NSHDSACASA-N 2 2 294.399 0.612 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CC[NH+]1CC[C@H](F)C1 ZINC001361800165 927341546 /nfs/dbraw/zinc/34/15/46/927341546.db2.gz ZITBISJVHQCVGL-OLZOCXBDSA-N 2 2 287.379 0.257 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)CC[NH+]1CC[C@H](F)C1 ZINC001361800165 927341559 /nfs/dbraw/zinc/34/15/59/927341559.db2.gz ZITBISJVHQCVGL-OLZOCXBDSA-N 2 2 287.379 0.257 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001361800165 927341575 /nfs/dbraw/zinc/34/15/75/927341575.db2.gz ZITBISJVHQCVGL-OLZOCXBDSA-N 2 2 287.379 0.257 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)CC[N@H+]1CC[C@H](F)C1 ZINC001361800165 927341587 /nfs/dbraw/zinc/34/15/87/927341587.db2.gz ZITBISJVHQCVGL-OLZOCXBDSA-N 2 2 287.379 0.257 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@H+](C)C[C@@H]1CCCCO1 ZINC001422558552 927372038 /nfs/dbraw/zinc/37/20/38/927372038.db2.gz JVRRZCHAPPQGSO-JSGCOSHPSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@@H+](C)C[C@@H]1CCCCO1 ZINC001422558552 927372043 /nfs/dbraw/zinc/37/20/43/927372043.db2.gz JVRRZCHAPPQGSO-JSGCOSHPSA-N 2 2 294.399 0.958 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[C@@H]([NH2+]CCO)C(C)C ZINC001422682778 927448814 /nfs/dbraw/zinc/44/88/14/927448814.db2.gz ZKUDHHJZJABMPI-CYBMUJFWSA-N 2 2 296.415 0.716 20 0 CCADLP C[C@H](CN(C)C(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1cnon1 ZINC001423068849 927658820 /nfs/dbraw/zinc/65/88/20/927658820.db2.gz GMOZRBJEEZZABB-LLVKDONJSA-N 2 2 295.387 0.490 20 0 CCADLP CC(C)C[NH2+][C@@H](CO)CNC(=O)CCc1c[nH+]cn1C ZINC001423292970 927793714 /nfs/dbraw/zinc/79/37/14/927793714.db2.gz WNEYNFXBWQENFF-GFCCVEGCSA-N 2 2 282.388 0.075 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCO)C2 ZINC001423923499 928033868 /nfs/dbraw/zinc/03/38/68/928033868.db2.gz NNUFRFOLJKHEEZ-MJBXVCDLSA-N 2 2 292.383 0.235 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCO)C2 ZINC001423923499 928033880 /nfs/dbraw/zinc/03/38/80/928033880.db2.gz NNUFRFOLJKHEEZ-MJBXVCDLSA-N 2 2 292.383 0.235 20 0 CCADLP O=C(CC[N@H+]1CC[C@@H](F)C1)NC1CC([NH+]2CCOCC2)C1 ZINC001362595911 928228181 /nfs/dbraw/zinc/22/81/81/928228181.db2.gz WBBLIWPZKARMHD-IYXRBSQSSA-N 2 2 299.390 0.400 20 0 CCADLP O=C(CC[N@@H+]1CC[C@@H](F)C1)NC1CC([NH+]2CCOCC2)C1 ZINC001362595911 928228188 /nfs/dbraw/zinc/22/81/88/928228188.db2.gz WBBLIWPZKARMHD-IYXRBSQSSA-N 2 2 299.390 0.400 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC001362605536 928239688 /nfs/dbraw/zinc/23/96/88/928239688.db2.gz PPIKGTXBPXQHEF-QWHCGFSZSA-N 2 2 283.416 0.384 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC001362605536 928239695 /nfs/dbraw/zinc/23/96/95/928239695.db2.gz PPIKGTXBPXQHEF-QWHCGFSZSA-N 2 2 283.416 0.384 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC001362605536 928239708 /nfs/dbraw/zinc/23/97/08/928239708.db2.gz PPIKGTXBPXQHEF-QWHCGFSZSA-N 2 2 283.416 0.384 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC001362605536 928239720 /nfs/dbraw/zinc/23/97/20/928239720.db2.gz PPIKGTXBPXQHEF-QWHCGFSZSA-N 2 2 283.416 0.384 20 0 CCADLP COC[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001425047390 928414818 /nfs/dbraw/zinc/41/48/18/928414818.db2.gz DPGCPJKZDKNZIU-STQMWFEESA-N 2 2 296.415 0.824 20 0 CCADLP COC[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001425047390 928414826 /nfs/dbraw/zinc/41/48/26/928414826.db2.gz DPGCPJKZDKNZIU-STQMWFEESA-N 2 2 296.415 0.824 20 0 CCADLP CC(C)[C@@H](CCN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]C[C@H](C)O ZINC001425157811 928448697 /nfs/dbraw/zinc/44/86/97/928448697.db2.gz GPTHLZWTAFIKRZ-QWHCGFSZSA-N 2 2 296.415 0.796 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001425502457 928568043 /nfs/dbraw/zinc/56/80/43/928568043.db2.gz FFFMPVFJBQTTOH-AAEUAGOBSA-N 2 2 294.399 0.814 20 0 CCADLP CC[C@@H](F)C[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001426046814 928739254 /nfs/dbraw/zinc/73/92/54/928739254.db2.gz BWROMVDCSSYMCD-VXGBXAGGSA-N 2 2 286.351 0.040 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC1CC[NH+](C2CCOCC2)CC1 ZINC001363231236 929004447 /nfs/dbraw/zinc/00/44/47/929004447.db2.gz LNZSWQWDXKCSKU-UHFFFAOYSA-N 2 2 292.383 0.712 20 0 CCADLP CC(C)[C@@H]1C[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CCO1 ZINC001363356375 929141943 /nfs/dbraw/zinc/14/19/43/929141943.db2.gz CNIGSPKLWYCZDY-KGLIPLIRSA-N 2 2 283.416 0.554 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001363517203 929319338 /nfs/dbraw/zinc/31/93/38/929319338.db2.gz IQRXLJVKVBECGJ-AWEZNQCLSA-N 2 2 280.372 0.188 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001363518572 929323354 /nfs/dbraw/zinc/32/33/54/929323354.db2.gz HKPYSZLKWZCYSN-KBPBESRZSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001363518572 929323365 /nfs/dbraw/zinc/32/33/65/929323365.db2.gz HKPYSZLKWZCYSN-KBPBESRZSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC1C[NH+](CCC[C@H](C)O)C1 ZINC001443560461 929645884 /nfs/dbraw/zinc/64/58/84/929645884.db2.gz KNEZTALKEJBSMC-LBPRGKRZSA-N 2 2 271.405 0.288 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC1C[NH+](CCC[C@H](C)O)C1 ZINC001443560461 929645891 /nfs/dbraw/zinc/64/58/91/929645891.db2.gz KNEZTALKEJBSMC-LBPRGKRZSA-N 2 2 271.405 0.288 20 0 CCADLP CC(C)OCC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001443842310 929722020 /nfs/dbraw/zinc/72/20/20/929722020.db2.gz KMQSCURVFCIQKE-CQSZACIVSA-N 2 2 294.399 0.841 20 0 CCADLP CC(C)OCC[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001443842310 929722028 /nfs/dbraw/zinc/72/20/28/929722028.db2.gz KMQSCURVFCIQKE-CQSZACIVSA-N 2 2 294.399 0.841 20 0 CCADLP CC[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C[C@@H]1CCCCO1 ZINC001372445660 929839405 /nfs/dbraw/zinc/83/94/05/929839405.db2.gz NPHVJUYQDFOCKZ-ZDUSSCGKSA-N 2 2 294.399 0.959 20 0 CCADLP CC[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C[C@@H]1CCCCO1 ZINC001372445660 929839411 /nfs/dbraw/zinc/83/94/11/929839411.db2.gz NPHVJUYQDFOCKZ-ZDUSSCGKSA-N 2 2 294.399 0.959 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001372666856 929909724 /nfs/dbraw/zinc/90/97/24/929909724.db2.gz OGJHJTZAGQSSJZ-ZYHUDNBSSA-N 2 2 280.372 0.080 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001372666856 929909731 /nfs/dbraw/zinc/90/97/31/929909731.db2.gz OGJHJTZAGQSSJZ-ZYHUDNBSSA-N 2 2 280.372 0.080 20 0 CCADLP CC[C@H](C)C[NH2+]C[C@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001445278705 930084136 /nfs/dbraw/zinc/08/41/36/930084136.db2.gz PCDSEHMFEBPAJV-AAEUAGOBSA-N 2 2 282.388 0.075 20 0 CCADLP CCC[NH2+]C1(CNC(=O)Cc2[nH]c[nH+]c2C)CCOCC1 ZINC001446723212 930465894 /nfs/dbraw/zinc/46/58/94/930465894.db2.gz IMRMDCFEZWOYQF-UHFFFAOYSA-N 2 2 294.399 0.926 20 0 CCADLP C[C@H](C[NH2+]Cc1cccnc1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001374330354 930486554 /nfs/dbraw/zinc/48/65/54/930486554.db2.gz MKCMGUAYDSALPX-CYBMUJFWSA-N 2 2 287.367 0.915 20 0 CCADLP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCC1 ZINC001447208150 930589873 /nfs/dbraw/zinc/58/98/73/930589873.db2.gz FQFHJQIMHQBSAY-IJLUTSLNSA-N 2 2 292.383 0.523 20 0 CCADLP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC001447208150 930589887 /nfs/dbraw/zinc/58/98/87/930589887.db2.gz FQFHJQIMHQBSAY-IJLUTSLNSA-N 2 2 292.383 0.523 20 0 CCADLP CC(C)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001447290705 930600105 /nfs/dbraw/zinc/60/01/05/930600105.db2.gz OQNUPRTURHCVAN-CYBMUJFWSA-N 2 2 280.372 0.425 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@](CO)([NH2+]CC2CC2)C1 ZINC001447465897 930638234 /nfs/dbraw/zinc/63/82/34/930638234.db2.gz XWDRESMZTZDBCV-OAHLLOKOSA-N 2 2 292.383 0.305 20 0 CCADLP CCOC1CC(C[NH2+]C[C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001374827669 930682794 /nfs/dbraw/zinc/68/27/94/930682794.db2.gz YRDGBSBUZOWKNS-PNESKVBLSA-N 2 2 294.399 0.862 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)[NH2+]CC[C@@H](C)F ZINC001448933060 931031152 /nfs/dbraw/zinc/03/11/52/931031152.db2.gz BXORDISIRKNDRZ-KOLCDFICSA-N 2 2 286.351 0.075 20 0 CCADLP COC[C@H](C)[NH2+]CC[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001376581558 931187197 /nfs/dbraw/zinc/18/71/97/931187197.db2.gz WRRRAQDUGYWTFY-KBPBESRZSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CCc1ccns1 ZINC001376823853 931291320 /nfs/dbraw/zinc/29/13/20/931291320.db2.gz KOBOGADFQDOAIW-SNVBAGLBSA-N 2 2 293.396 0.746 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC(=O)[O-])CC2)CC[N@@H+]1C ZINC001589291731 953608229 /nfs/dbraw/zinc/60/82/29/953608229.db2.gz QZAYSGKEVKNPHV-AAEUAGOBSA-N 2 2 269.389 0.608 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](CC(=O)[O-])CC2)CC[N@H+]1C ZINC001589291731 953608241 /nfs/dbraw/zinc/60/82/41/953608241.db2.gz QZAYSGKEVKNPHV-AAEUAGOBSA-N 2 2 269.389 0.608 20 0 CCADLP C[NH+](C)CCCCNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000360448117 282083452 /nfs/dbraw/zinc/08/34/52/282083452.db2.gz STBWGDYCUQGHNX-UHFFFAOYSA-N 2 2 283.416 0.699 20 0 CCADLP C[C@H](CO)[N@@H+]1CCCN(CC[NH+]2CCO[C@H](C)C2)CC1 ZINC000337408199 214060460 /nfs/dbraw/zinc/06/04/60/214060460.db2.gz KFAPTHPVBGKQBB-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H](CO)[N@H+]1CCCN(CC[NH+]2CCO[C@H](C)C2)CC1 ZINC000337408199 214060461 /nfs/dbraw/zinc/06/04/61/214060461.db2.gz KFAPTHPVBGKQBB-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H](CO)[NH+]1CCCN(CC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000337408199 214060462 /nfs/dbraw/zinc/06/04/62/214060462.db2.gz KFAPTHPVBGKQBB-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H](CO)[NH+]1CCCN(CC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000337408199 214060464 /nfs/dbraw/zinc/06/04/64/214060464.db2.gz KFAPTHPVBGKQBB-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H](O)CN(C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000091237678 349457647 /nfs/dbraw/zinc/45/76/47/349457647.db2.gz BJJLQIIOQDYCNY-GFCCVEGCSA-N 2 2 286.420 0.035 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N1CC[NH+](CC2CC2)CC1 ZINC000091509033 349465279 /nfs/dbraw/zinc/46/52/79/349465279.db2.gz QGKCQCRDDVIQGG-AWEZNQCLSA-N 2 2 267.417 0.735 20 0 CCADLP C[C@@H](CN1CCOCC1)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000091578158 349468467 /nfs/dbraw/zinc/46/84/67/349468467.db2.gz QYTRFAULTWFRDR-HNNXBMFYSA-N 2 2 299.459 0.486 20 0 CCADLP C[C@@H](CN1CCOCC1)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000091578158 349468472 /nfs/dbraw/zinc/46/84/72/349468472.db2.gz QYTRFAULTWFRDR-HNNXBMFYSA-N 2 2 299.459 0.486 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000093175584 349529638 /nfs/dbraw/zinc/52/96/38/349529638.db2.gz XNLMLXUVTILHRW-CHWSQXEVSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000093175584 349529640 /nfs/dbraw/zinc/52/96/40/349529640.db2.gz XNLMLXUVTILHRW-CHWSQXEVSA-N 2 2 253.390 0.881 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+]2C[C@H]3CCCC[C@@H]3C2)CC1 ZINC000093187979 349530408 /nfs/dbraw/zinc/53/04/08/349530408.db2.gz UUJCSTKPXMDBEC-ZIAGYGMSSA-N 2 2 265.401 0.882 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000337583781 214166869 /nfs/dbraw/zinc/16/68/69/214166869.db2.gz JYTQECRFOMGNPH-KBPBESRZSA-N 2 2 274.368 0.649 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000337583781 214166872 /nfs/dbraw/zinc/16/68/72/214166872.db2.gz JYTQECRFOMGNPH-KBPBESRZSA-N 2 2 274.368 0.649 20 0 CCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1([NH+](C)C)CC1 ZINC000617503286 365656826 /nfs/dbraw/zinc/65/68/26/365656826.db2.gz CTWTUWWBOWPDPV-ZDUSSCGKSA-N 3 2 284.448 0.469 20 0 CCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1([NH+](C)C)CC1 ZINC000617503286 365656830 /nfs/dbraw/zinc/65/68/30/365656830.db2.gz CTWTUWWBOWPDPV-ZDUSSCGKSA-N 3 2 284.448 0.469 20 0 CCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000617507511 365664001 /nfs/dbraw/zinc/66/40/01/365664001.db2.gz ZOLMFODDJPYORJ-ZDUSSCGKSA-N 3 2 295.431 0.731 20 0 CCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CCc1c[nH+]c[nH]1 ZINC000617507511 365664002 /nfs/dbraw/zinc/66/40/02/365664002.db2.gz ZOLMFODDJPYORJ-ZDUSSCGKSA-N 3 2 295.431 0.731 20 0 CCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000617507511 365664004 /nfs/dbraw/zinc/66/40/04/365664004.db2.gz ZOLMFODDJPYORJ-ZDUSSCGKSA-N 3 2 295.431 0.731 20 0 CCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CCc1c[nH]c[nH+]1 ZINC000617507511 365664005 /nfs/dbraw/zinc/66/40/05/365664005.db2.gz ZOLMFODDJPYORJ-ZDUSSCGKSA-N 3 2 295.431 0.731 20 0 CCADLP CCN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CC[N@H+](C)C1 ZINC000617550579 365670428 /nfs/dbraw/zinc/67/04/28/365670428.db2.gz YDTWPQQJBAHHJL-TZMCWYRMSA-N 2 2 276.384 0.998 20 0 CCADLP CCN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CC[N@@H+](C)C1 ZINC000617550579 365670434 /nfs/dbraw/zinc/67/04/34/365670434.db2.gz YDTWPQQJBAHHJL-TZMCWYRMSA-N 2 2 276.384 0.998 20 0 CCADLP CCN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CC[N@H+](C)C1 ZINC000617552904 365674491 /nfs/dbraw/zinc/67/44/91/365674491.db2.gz XKQJKHAPHIGHDB-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP CCN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CC[N@@H+](C)C1 ZINC000617552904 365674493 /nfs/dbraw/zinc/67/44/93/365674493.db2.gz XKQJKHAPHIGHDB-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCCn1cc[nH+]c1 ZINC000093677481 349550259 /nfs/dbraw/zinc/55/02/59/349550259.db2.gz FYXNHHKQCIQLFW-YHWZYXNKSA-N 2 2 262.357 0.920 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C[NH3+])C(C)C ZINC000093874369 349555040 /nfs/dbraw/zinc/55/50/40/349555040.db2.gz AMGARWRKVCIWKO-CYBMUJFWSA-N 2 2 271.405 0.633 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C[NH3+])C(C)C ZINC000093874369 349555043 /nfs/dbraw/zinc/55/50/43/349555043.db2.gz AMGARWRKVCIWKO-CYBMUJFWSA-N 2 2 271.405 0.633 20 0 CCADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000456357310 529387436 /nfs/dbraw/zinc/38/74/36/529387436.db2.gz SCCPVBGTVVCQEK-HUUCEWRRSA-N 2 2 296.459 0.565 20 0 CCADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000456357310 529387438 /nfs/dbraw/zinc/38/74/38/529387438.db2.gz SCCPVBGTVVCQEK-HUUCEWRRSA-N 2 2 296.459 0.565 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000418704932 529445844 /nfs/dbraw/zinc/44/58/44/529445844.db2.gz DCDXYPFNVRYHBC-LBPRGKRZSA-N 2 2 292.387 0.354 20 0 CCADLP COC(=O)c1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)[nH]1 ZINC000347137487 536673324 /nfs/dbraw/zinc/67/33/24/536673324.db2.gz ULWXUPNKHVZVPG-ONGXEEELSA-N 2 2 251.330 0.970 20 0 CCADLP COC(=O)c1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)[nH]1 ZINC000347137487 536673330 /nfs/dbraw/zinc/67/33/30/536673330.db2.gz ULWXUPNKHVZVPG-ONGXEEELSA-N 2 2 251.330 0.970 20 0 CCADLP COc1c(N)[nH+]cnc1NCC1([NH+](C)C)CCC1 ZINC000097936521 290651159 /nfs/dbraw/zinc/65/11/59/290651159.db2.gz XPTSIAIDDMKCSZ-UHFFFAOYSA-N 2 2 251.334 0.964 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC000103492283 349701223 /nfs/dbraw/zinc/70/12/23/349701223.db2.gz IHAVYPNBVYSRIE-UHFFFAOYSA-N 2 2 293.415 0.369 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000418739135 529559344 /nfs/dbraw/zinc/55/93/44/529559344.db2.gz YESNBPCQGCVYOC-GFCCVEGCSA-N 2 2 280.372 0.844 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](Cc2cccnc2)CC1 ZINC000104067426 349707193 /nfs/dbraw/zinc/70/71/93/349707193.db2.gz VFVJIGHBTWBLGR-HNNXBMFYSA-N 2 2 288.395 0.996 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](Cc2cccnc2)CC1 ZINC000104067426 349707197 /nfs/dbraw/zinc/70/71/97/349707197.db2.gz VFVJIGHBTWBLGR-HNNXBMFYSA-N 2 2 288.395 0.996 20 0 CCADLP CCNC(=O)C[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000104963893 349719947 /nfs/dbraw/zinc/71/99/47/349719947.db2.gz XWDHRHVOHXGVFP-UHFFFAOYSA-N 2 2 278.356 0.348 20 0 CCADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)NCCc1ccc(F)cc1 ZINC000107574071 349738670 /nfs/dbraw/zinc/73/86/70/349738670.db2.gz GRGYPRDIFORYPL-KBPBESRZSA-N 2 2 291.370 0.636 20 0 CCADLP NC(=O)NC(=O)CC[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000600755264 362055754 /nfs/dbraw/zinc/05/57/54/362055754.db2.gz IVSZEBQJLIKTPO-NSHDSACASA-N 2 2 268.361 0.178 20 0 CCADLP NC(=O)NC(=O)CC[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000600755264 362055764 /nfs/dbraw/zinc/05/57/64/362055764.db2.gz IVSZEBQJLIKTPO-NSHDSACASA-N 2 2 268.361 0.178 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2CN(c3[nH+]ccc4ccccc43)CCN2C1=O ZINC000600948660 362096603 /nfs/dbraw/zinc/09/66/03/362096603.db2.gz VEHOLVOUQMUWOX-TZMCWYRMSA-N 2 2 282.347 0.983 20 0 CCADLP CS[C@@H]1CN(c2nc(C)[nH+]c(N)n2)C[C@@H]1[NH+](C)C ZINC000601134428 362154577 /nfs/dbraw/zinc/15/45/77/362154577.db2.gz CHTQCJHGEJMYMA-DTWKUNHWSA-N 2 2 268.390 0.074 20 0 CCADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000601294088 362206225 /nfs/dbraw/zinc/20/62/25/362206225.db2.gz MZQSVKJHRJLREG-RHYQMDGZSA-N 2 2 285.388 0.125 20 0 CCADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000601294088 362206230 /nfs/dbraw/zinc/20/62/30/362206230.db2.gz MZQSVKJHRJLREG-RHYQMDGZSA-N 2 2 285.388 0.125 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000617732400 365743035 /nfs/dbraw/zinc/74/30/35/365743035.db2.gz FDCGOXVAUJKSJO-OLZOCXBDSA-N 2 2 271.405 0.554 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000617732400 365743041 /nfs/dbraw/zinc/74/30/41/365743041.db2.gz FDCGOXVAUJKSJO-OLZOCXBDSA-N 2 2 271.405 0.554 20 0 CCADLP C[C@@H](C(=O)NCc1ccc(N2CCOCC2)[nH+]c1)[C@H](C)[NH3+] ZINC000156828464 136387189 /nfs/dbraw/zinc/38/71/89/136387189.db2.gz FXIWKLCECYROJE-NEPJUHHUSA-N 2 2 292.383 0.518 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H](O)C1CCC1 ZINC000617762292 365764311 /nfs/dbraw/zinc/76/43/11/365764311.db2.gz MBAFHYLLZWUNOB-CYBMUJFWSA-N 2 2 271.405 0.147 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H](O)C1CCC1 ZINC000617762292 365764317 /nfs/dbraw/zinc/76/43/17/365764317.db2.gz MBAFHYLLZWUNOB-CYBMUJFWSA-N 2 2 271.405 0.147 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@]1(C)CCOC1 ZINC000617764720 365768408 /nfs/dbraw/zinc/76/84/08/365768408.db2.gz DCQVCYGVTAHVND-AWEZNQCLSA-N 2 2 271.405 0.413 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@]1(C)CCOC1 ZINC000617764720 365768415 /nfs/dbraw/zinc/76/84/15/365768415.db2.gz DCQVCYGVTAHVND-AWEZNQCLSA-N 2 2 271.405 0.413 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CC12CCOCC2 ZINC000617765846 365770374 /nfs/dbraw/zinc/77/03/74/365770374.db2.gz SNMOGEIAZDFJHO-AWEZNQCLSA-N 2 2 297.443 0.803 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CC12CCOCC2 ZINC000617765846 365770379 /nfs/dbraw/zinc/77/03/79/365770379.db2.gz SNMOGEIAZDFJHO-AWEZNQCLSA-N 2 2 297.443 0.803 20 0 CCADLP Cc1cc(C)n(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000617768087 365773863 /nfs/dbraw/zinc/77/38/63/365773863.db2.gz OIROAGIDVNEDLA-UHFFFAOYSA-N 2 2 295.431 0.500 20 0 CCADLP Cc1cc(C)n(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000617768087 365773866 /nfs/dbraw/zinc/77/38/66/365773866.db2.gz OIROAGIDVNEDLA-UHFFFAOYSA-N 2 2 295.431 0.500 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000423748377 529789642 /nfs/dbraw/zinc/78/96/42/529789642.db2.gz QSPFIPBELWWWMH-ZIAGYGMSSA-N 2 2 295.358 0.315 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000423748377 529789643 /nfs/dbraw/zinc/78/96/43/529789643.db2.gz QSPFIPBELWWWMH-ZIAGYGMSSA-N 2 2 295.358 0.315 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCOCC3)C[C@@H]21 ZINC000453007121 529797729 /nfs/dbraw/zinc/79/77/29/529797729.db2.gz LXKYVFXVLLURML-OLZOCXBDSA-N 2 2 281.400 0.260 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCOCC3)C[C@@H]21 ZINC000453007121 529797731 /nfs/dbraw/zinc/79/77/31/529797731.db2.gz LXKYVFXVLLURML-OLZOCXBDSA-N 2 2 281.400 0.260 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H]2CCN(C)C(=O)C2)n1C ZINC000424191336 529810088 /nfs/dbraw/zinc/81/00/88/529810088.db2.gz QSISBOHXZLYNNS-NSHDSACASA-N 2 2 279.388 0.444 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H](CO)CC(F)(F)F)n1C ZINC000425361217 529810513 /nfs/dbraw/zinc/81/05/13/529810513.db2.gz TZDWAQIVWQWYRI-MRVPVSSYSA-N 2 2 280.294 0.889 20 0 CCADLP C[N@H+](CCCN1CCOCC1)C1CC[NH+](CCO)CC1 ZINC000358499407 529888135 /nfs/dbraw/zinc/88/81/35/529888135.db2.gz OAFRKLZFZYSDMN-UHFFFAOYSA-N 2 2 285.432 0.097 20 0 CCADLP C[N@@H+](CCCN1CCOCC1)C1CC[NH+](CCO)CC1 ZINC000358499407 529888136 /nfs/dbraw/zinc/88/81/36/529888136.db2.gz OAFRKLZFZYSDMN-UHFFFAOYSA-N 2 2 285.432 0.097 20 0 CCADLP CNC(=O)[C@@]1(C)CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425390548 529912610 /nfs/dbraw/zinc/91/26/10/529912610.db2.gz YUIWBUVZGXNYDA-AWEZNQCLSA-N 2 2 279.388 0.444 20 0 CCADLP CNC(=O)[C@@]1(C)CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425390548 529912611 /nfs/dbraw/zinc/91/26/11/529912611.db2.gz YUIWBUVZGXNYDA-AWEZNQCLSA-N 2 2 279.388 0.444 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)NCC[N@H+](C)C(C)C ZINC000118122973 349898923 /nfs/dbraw/zinc/89/89/23/349898923.db2.gz BEOULIVVBOYNSV-UHFFFAOYSA-N 2 2 294.355 0.485 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)NCC[N@@H+](C)C(C)C ZINC000118122973 349898925 /nfs/dbraw/zinc/89/89/25/349898925.db2.gz BEOULIVVBOYNSV-UHFFFAOYSA-N 2 2 294.355 0.485 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841583 349909302 /nfs/dbraw/zinc/90/93/02/349909302.db2.gz SYZQIUYECZBWFE-NWDGAFQWSA-N 2 2 296.415 0.637 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841583 349909306 /nfs/dbraw/zinc/90/93/06/349909306.db2.gz SYZQIUYECZBWFE-NWDGAFQWSA-N 2 2 296.415 0.637 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841583 349909311 /nfs/dbraw/zinc/90/93/11/349909311.db2.gz SYZQIUYECZBWFE-NWDGAFQWSA-N 2 2 296.415 0.637 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841583 349909313 /nfs/dbraw/zinc/90/93/13/349909313.db2.gz SYZQIUYECZBWFE-NWDGAFQWSA-N 2 2 296.415 0.637 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000417892308 529996854 /nfs/dbraw/zinc/99/68/54/529996854.db2.gz QJWJZKPNFUFMCV-NSHDSACASA-N 2 2 275.356 0.989 20 0 CCADLP C[NH+]1CCC(CC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000456207718 530048558 /nfs/dbraw/zinc/04/85/58/530048558.db2.gz SXNYSOJMERQAEC-GASCZTMLSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC(CC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000456207718 530048559 /nfs/dbraw/zinc/04/85/59/530048559.db2.gz SXNYSOJMERQAEC-GASCZTMLSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC([NH2+]C[C@H]2CCCCN2CCO)CC1 ZINC000449395999 530050618 /nfs/dbraw/zinc/05/06/18/530050618.db2.gz QZDRKOKWAHNCSZ-CQSZACIVSA-N 2 2 255.406 0.517 20 0 CCADLP COCc1nc2n(n1)C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)CC2 ZINC000358281914 232074307 /nfs/dbraw/zinc/07/43/07/232074307.db2.gz DLWQOOCZTDDBKX-UTUOFQBUSA-N 2 2 279.388 0.279 20 0 CCADLP COCc1nc2n(n1)C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)CC2 ZINC000358281914 232074311 /nfs/dbraw/zinc/07/43/11/232074311.db2.gz DLWQOOCZTDDBKX-UTUOFQBUSA-N 2 2 279.388 0.279 20 0 CCADLP Cn1cc[nH+]c1CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000602347785 362593765 /nfs/dbraw/zinc/59/37/65/362593765.db2.gz NVVUNIHYXVRZLX-STQMWFEESA-N 2 2 264.373 0.451 20 0 CCADLP OCC[N@@H+]1CCCN(c2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000119532549 349941077 /nfs/dbraw/zinc/94/10/77/349941077.db2.gz ACIWNMSRNWOWHT-UHFFFAOYSA-N 2 2 291.399 0.803 20 0 CCADLP OCC[N@H+]1CCCN(c2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000119532549 349941084 /nfs/dbraw/zinc/94/10/84/349941084.db2.gz ACIWNMSRNWOWHT-UHFFFAOYSA-N 2 2 291.399 0.803 20 0 CCADLP CCCCCNC(=O)[C@@H](C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000313754917 535064065 /nfs/dbraw/zinc/06/40/65/535064065.db2.gz GYCOQSLHIVUNBQ-HUUCEWRRSA-N 2 2 296.459 0.661 20 0 CCADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)NCc1ccccc1 ZINC000261550076 137007458 /nfs/dbraw/zinc/00/74/58/137007458.db2.gz PIBGKRRUCDWKMC-HUUCEWRRSA-N 2 2 273.380 0.987 20 0 CCADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)NCc1ccccc1 ZINC000261550076 137007459 /nfs/dbraw/zinc/00/74/59/137007459.db2.gz PIBGKRRUCDWKMC-HUUCEWRRSA-N 2 2 273.380 0.987 20 0 CCADLP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261554386 137008085 /nfs/dbraw/zinc/00/80/85/137008085.db2.gz AWAAJXGBRWNXMP-AWEZNQCLSA-N 2 2 253.390 0.977 20 0 CCADLP CCC(C)(C)NC(=O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261554386 137008086 /nfs/dbraw/zinc/00/80/86/137008086.db2.gz AWAAJXGBRWNXMP-AWEZNQCLSA-N 2 2 253.390 0.977 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCCCC1 ZINC000261573295 137009174 /nfs/dbraw/zinc/00/91/74/137009174.db2.gz MEJBONKBTAFHKP-CHWSQXEVSA-N 2 2 251.374 0.540 20 0 CCADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCCCC1 ZINC000261573295 137009175 /nfs/dbraw/zinc/00/91/75/137009175.db2.gz MEJBONKBTAFHKP-CHWSQXEVSA-N 2 2 251.374 0.540 20 0 CCADLP COc1c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(C)nn1C ZINC000261604473 137011834 /nfs/dbraw/zinc/01/18/34/137011834.db2.gz RCZHJDGTDONDFD-NWDGAFQWSA-N 2 2 264.373 0.778 20 0 CCADLP COc1c(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(C)nn1C ZINC000261604473 137011835 /nfs/dbraw/zinc/01/18/35/137011835.db2.gz RCZHJDGTDONDFD-NWDGAFQWSA-N 2 2 264.373 0.778 20 0 CCADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)NCCOc2ccccc2)C1 ZINC000261629733 137013158 /nfs/dbraw/zinc/01/31/58/137013158.db2.gz HLJDMZILIKKPDY-MRXNPFEDSA-N 2 2 291.395 0.852 20 0 CCADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)NCCOc2ccccc2)C1 ZINC000261629733 137013159 /nfs/dbraw/zinc/01/31/59/137013159.db2.gz HLJDMZILIKKPDY-MRXNPFEDSA-N 2 2 291.395 0.852 20 0 CCADLP CC1CCN(C(=O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000261637228 137013660 /nfs/dbraw/zinc/01/36/60/137013660.db2.gz WRSFJLXNRKCMKJ-UONOGXRCSA-N 2 2 265.401 0.929 20 0 CCADLP CC1CCN(C(=O)C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000261637228 137013661 /nfs/dbraw/zinc/01/36/61/137013661.db2.gz WRSFJLXNRKCMKJ-UONOGXRCSA-N 2 2 265.401 0.929 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000262691679 137050428 /nfs/dbraw/zinc/05/04/28/137050428.db2.gz ANQCIQCTWTXYJT-IPYPFGDCSA-N 2 2 283.416 0.731 20 0 CCADLP COC[C@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000262946054 137056190 /nfs/dbraw/zinc/05/61/90/137056190.db2.gz AWBPNQCNQQGUCS-LBPRGKRZSA-N 2 2 278.356 0.272 20 0 CCADLP Cc1noc(CN2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)n1 ZINC000261703722 137016367 /nfs/dbraw/zinc/01/63/67/137016367.db2.gz CVCAVXRHOOUWON-CQSZACIVSA-N 2 2 279.388 0.495 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261740920 137017762 /nfs/dbraw/zinc/01/77/62/137017762.db2.gz LZYSJCFHLCBJHL-AWEZNQCLSA-N 2 2 282.388 0.154 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261740920 137017763 /nfs/dbraw/zinc/01/77/63/137017763.db2.gz LZYSJCFHLCBJHL-AWEZNQCLSA-N 2 2 282.388 0.154 20 0 CCADLP C[C@]1(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)CC[NH2+]C1 ZINC000261751395 137018378 /nfs/dbraw/zinc/01/83/78/137018378.db2.gz JYAQVLFNESUTGK-INIZCTEOSA-N 3 2 280.460 0.699 20 0 CCADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000261767997 137018967 /nfs/dbraw/zinc/01/89/67/137018967.db2.gz MDCHBRAWDPAPCB-JTQLQIEISA-N 2 2 296.293 0.045 20 0 CCADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000261767997 137018968 /nfs/dbraw/zinc/01/89/68/137018968.db2.gz MDCHBRAWDPAPCB-JTQLQIEISA-N 2 2 296.293 0.045 20 0 CCADLP C[C@@H](C[NH3+])[N@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000261770360 137019003 /nfs/dbraw/zinc/01/90/03/137019003.db2.gz DQLSDQWOTLMXLX-JTQLQIEISA-N 2 2 261.325 0.562 20 0 CCADLP C[C@@H](C[NH3+])[N@@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000261770360 137019004 /nfs/dbraw/zinc/01/90/04/137019004.db2.gz DQLSDQWOTLMXLX-JTQLQIEISA-N 2 2 261.325 0.562 20 0 CCADLP Cc1ncc(C[NH+]2CCN(C(=O)C[C@@H](C)[NH3+])CC2)s1 ZINC000261808591 137020963 /nfs/dbraw/zinc/02/09/63/137020963.db2.gz LPUGUKHIFUZECX-SNVBAGLBSA-N 2 2 282.413 0.833 20 0 CCADLP CC[C@H]1CN(CC(C)(C)[NH3+])C[C@H]1[NH+]1CCOCC1 ZINC000261823197 137021680 /nfs/dbraw/zinc/02/16/80/137021680.db2.gz IOIYCOTWIJANEB-QWHCGFSZSA-N 2 2 255.406 0.766 20 0 CCADLP CC[C@H]1C[N@H+](CC(C)(C)[NH3+])C[C@H]1N1CCOCC1 ZINC000261823197 137021681 /nfs/dbraw/zinc/02/16/81/137021681.db2.gz IOIYCOTWIJANEB-QWHCGFSZSA-N 2 2 255.406 0.766 20 0 CCADLP CC[C@H]1C[N@@H+](CC(C)(C)[NH3+])C[C@H]1N1CCOCC1 ZINC000261823197 137021682 /nfs/dbraw/zinc/02/16/82/137021682.db2.gz IOIYCOTWIJANEB-QWHCGFSZSA-N 2 2 255.406 0.766 20 0 CCADLP C[C@@H]([NH3+])CC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000261847412 137022340 /nfs/dbraw/zinc/02/23/40/137022340.db2.gz OLDQELCBEIDFMJ-NEPJUHHUSA-N 2 2 292.383 0.660 20 0 CCADLP COC[C@H]([NH3+])C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000262247418 137032638 /nfs/dbraw/zinc/03/26/38/137032638.db2.gz IHRFPBQFEOVVPV-AWEZNQCLSA-N 2 2 288.351 0.521 20 0 CCADLP O=C(C[NH2+]CC1CC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000263295159 137062910 /nfs/dbraw/zinc/06/29/10/137062910.db2.gz XUWNCENETGEVTD-CQSZACIVSA-N 2 2 281.400 0.309 20 0 CCADLP [NH3+]CC[N@H+](CCO)CCC(=O)Nc1cccc(Cl)c1 ZINC000342392362 137091015 /nfs/dbraw/zinc/09/10/15/137091015.db2.gz TXPKDVSSPBBUEG-UHFFFAOYSA-N 2 2 285.775 0.922 20 0 CCADLP [NH3+]CC[N@@H+](CCO)CCC(=O)Nc1cccc(Cl)c1 ZINC000342392362 137091016 /nfs/dbraw/zinc/09/10/16/137091016.db2.gz TXPKDVSSPBBUEG-UHFFFAOYSA-N 2 2 285.775 0.922 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(C(N)=O)CCOCC2)C1 ZINC000343269911 137123308 /nfs/dbraw/zinc/12/33/08/137123308.db2.gz DHJBBPGPWZHKPE-NEPJUHHUSA-N 2 2 269.389 0.198 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(C(N)=O)CCOCC2)C1 ZINC000343269911 137123309 /nfs/dbraw/zinc/12/33/09/137123309.db2.gz DHJBBPGPWZHKPE-NEPJUHHUSA-N 2 2 269.389 0.198 20 0 CCADLP C[C@]1([NH3+])CCCC[C@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000263243192 137061334 /nfs/dbraw/zinc/06/13/34/137061334.db2.gz OYLVCMZWRQKION-JSGCOSHPSA-N 2 2 269.389 0.342 20 0 CCADLP COCC1(O)CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000343680391 137148886 /nfs/dbraw/zinc/14/88/86/137148886.db2.gz WIKXKXXWGIXHOK-UHFFFAOYSA-N 2 2 253.346 0.747 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NC[C@@H]2CN(C)CC[NH+]2C)CCC[N@@H+]1C ZINC000343840078 137160946 /nfs/dbraw/zinc/16/09/46/137160946.db2.gz REVSMLLPWFZRFN-MGPQQGTHSA-N 2 2 297.447 0.014 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NC[C@@H]2CN(C)CC[NH+]2C)CCC[N@H+]1C ZINC000343840078 137160947 /nfs/dbraw/zinc/16/09/47/137160947.db2.gz REVSMLLPWFZRFN-MGPQQGTHSA-N 2 2 297.447 0.014 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NC[C@@H]2CN(C)CC[N@@H+]2C)CCC[NH+]1C ZINC000343840078 137160948 /nfs/dbraw/zinc/16/09/48/137160948.db2.gz REVSMLLPWFZRFN-MGPQQGTHSA-N 2 2 297.447 0.014 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NC[C@@H]2CN(C)CC[N@H+]2C)CCC[NH+]1C ZINC000343840078 137160949 /nfs/dbraw/zinc/16/09/49/137160949.db2.gz REVSMLLPWFZRFN-MGPQQGTHSA-N 2 2 297.447 0.014 20 0 CCADLP O=C1NCC[N@H+](CCn2cc[nH+]c2)[C@H]1Cc1ccccc1 ZINC000344008832 137173211 /nfs/dbraw/zinc/17/32/11/137173211.db2.gz ZMCIQYCNPMMTPS-HNNXBMFYSA-N 2 2 284.363 0.926 20 0 CCADLP O=C1NCC[N@@H+](CCn2cc[nH+]c2)[C@H]1Cc1ccccc1 ZINC000344008832 137173212 /nfs/dbraw/zinc/17/32/12/137173212.db2.gz ZMCIQYCNPMMTPS-HNNXBMFYSA-N 2 2 284.363 0.926 20 0 CCADLP NS(=O)(=O)C[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000343314830 137127970 /nfs/dbraw/zinc/12/79/70/137127970.db2.gz OISCZBGKPFQHRO-GFCCVEGCSA-N 2 2 286.401 0.274 20 0 CCADLP NS(=O)(=O)C[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000343314830 137127971 /nfs/dbraw/zinc/12/79/71/137127971.db2.gz OISCZBGKPFQHRO-GFCCVEGCSA-N 2 2 286.401 0.274 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000343354689 137130850 /nfs/dbraw/zinc/13/08/50/137130850.db2.gz VLAHHIMQCHOGGI-CABCVRRESA-N 2 2 295.427 0.840 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000343354689 137130851 /nfs/dbraw/zinc/13/08/51/137130851.db2.gz VLAHHIMQCHOGGI-CABCVRRESA-N 2 2 295.427 0.840 20 0 CCADLP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000343354689 137130852 /nfs/dbraw/zinc/13/08/52/137130852.db2.gz VLAHHIMQCHOGGI-CABCVRRESA-N 2 2 295.427 0.840 20 0 CCADLP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000343354689 137130853 /nfs/dbraw/zinc/13/08/53/137130853.db2.gz VLAHHIMQCHOGGI-CABCVRRESA-N 2 2 295.427 0.840 20 0 CCADLP COC(=O)C1(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000344145124 137180387 /nfs/dbraw/zinc/18/03/87/137180387.db2.gz WVZKZYKNIZTTHO-ZDUSSCGKSA-N 2 2 282.384 0.594 20 0 CCADLP COC(=O)C1(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000344145124 137180388 /nfs/dbraw/zinc/18/03/88/137180388.db2.gz WVZKZYKNIZTTHO-ZDUSSCGKSA-N 2 2 282.384 0.594 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN2CC[N@H+](C)C[C@@H]2C)C[C@@H](C)O1 ZINC000344372145 137190858 /nfs/dbraw/zinc/19/08/58/137190858.db2.gz JEAJMNKMGLPEIT-YJNKXOJESA-N 2 2 285.432 0.092 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN2CC[N@@H+](C)C[C@@H]2C)C[C@@H](C)O1 ZINC000344372145 137190859 /nfs/dbraw/zinc/19/08/59/137190859.db2.gz JEAJMNKMGLPEIT-YJNKXOJESA-N 2 2 285.432 0.092 20 0 CCADLP Cc1ncc(C[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)cn1 ZINC000344211763 137183979 /nfs/dbraw/zinc/18/39/79/137183979.db2.gz FEUOOJQISXJSQJ-OAHLLOKOSA-N 2 2 278.400 0.967 20 0 CCADLP [NH3+]CCC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000019687980 348067244 /nfs/dbraw/zinc/06/72/44/348067244.db2.gz LTVSAIHJWYFUHU-UHFFFAOYSA-N 2 2 265.332 0.819 20 0 CCADLP CCCCCNC(=O)[C@H](C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000313754919 535068984 /nfs/dbraw/zinc/06/89/84/535068984.db2.gz GYCOQSLHIVUNBQ-LSDHHAIUSA-N 2 2 296.459 0.661 20 0 CCADLP [NH3+][C@@H](CC(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000019431858 348062223 /nfs/dbraw/zinc/06/22/23/348062223.db2.gz DLXZQTWYZRMBCX-AWEZNQCLSA-N 2 2 277.368 0.525 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCc1[nH+]ccn1C ZINC000019456323 348062883 /nfs/dbraw/zinc/06/28/83/348062883.db2.gz OONLKYWDOKZKIY-LLVKDONJSA-N 2 2 266.345 0.005 20 0 CCADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000037013548 348178652 /nfs/dbraw/zinc/17/86/52/348178652.db2.gz IDPRTLQOYSHZNO-CHWSQXEVSA-N 2 2 272.308 0.534 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000037008717 348178890 /nfs/dbraw/zinc/17/88/90/348178890.db2.gz MYJDEXXWRXOERL-DZGCQCFKSA-N 2 2 291.395 0.393 20 0 CCADLP C[N@H+](CC(=O)NCC(F)(F)F)C1CC[NH2+]CC1 ZINC000036300432 348165694 /nfs/dbraw/zinc/16/56/94/348165694.db2.gz HDBGFYFJQBZKLP-UHFFFAOYSA-N 2 2 253.268 0.349 20 0 CCADLP C[N@@H+](CC(=O)NCC(F)(F)F)C1CC[NH2+]CC1 ZINC000036300432 348165696 /nfs/dbraw/zinc/16/56/96/348165696.db2.gz HDBGFYFJQBZKLP-UHFFFAOYSA-N 2 2 253.268 0.349 20 0 CCADLP Cc1nccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)n1 ZINC000037998757 348222562 /nfs/dbraw/zinc/22/25/62/348222562.db2.gz GCTAOALZEBEQLL-ZDUSSCGKSA-N 2 2 250.346 0.331 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000040856513 348245505 /nfs/dbraw/zinc/24/55/05/348245505.db2.gz LLRMINGCAZQMKW-AWEZNQCLSA-N 2 2 292.383 0.518 20 0 CCADLP CC(C)[NH2+]CC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000040430695 348233922 /nfs/dbraw/zinc/23/39/22/348233922.db2.gz OIYKXOWNJDYFBV-UHFFFAOYSA-N 2 2 292.383 0.532 20 0 CCADLP [NH3+][C@H](CC(F)F)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000345704597 137247081 /nfs/dbraw/zinc/24/70/81/137247081.db2.gz FCRSUTHQIPOTQF-GHMZBOCLSA-N 2 2 291.342 0.292 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)C[NH+]1CCOCC1 ZINC000345733502 137248897 /nfs/dbraw/zinc/24/88/97/137248897.db2.gz JBARRLOBRDBRLV-WDEREUQCSA-N 2 2 291.342 0.068 20 0 CCADLP Cc1[nH+]ccn1CCN1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000346298119 137277884 /nfs/dbraw/zinc/27/78/84/137277884.db2.gz ATLLHKQRBKMJJC-UHFFFAOYSA-N 2 2 293.415 0.287 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000346681946 137298821 /nfs/dbraw/zinc/29/88/21/137298821.db2.gz OSWPJTZVFBNVHF-GJZGRUSLSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000346681946 137298822 /nfs/dbraw/zinc/29/88/22/137298822.db2.gz OSWPJTZVFBNVHF-GJZGRUSLSA-N 2 2 285.432 0.096 20 0 CCADLP C[N@H+](CCn1ccnc1)C1CC[NH+](CCO)CC1 ZINC000346269080 137275592 /nfs/dbraw/zinc/27/55/92/137275592.db2.gz BILGHTUUDXZEHH-UHFFFAOYSA-N 2 2 252.362 0.272 20 0 CCADLP C[N@@H+](CCn1ccnc1)C1CC[NH+](CCO)CC1 ZINC000346269080 137275593 /nfs/dbraw/zinc/27/55/93/137275593.db2.gz BILGHTUUDXZEHH-UHFFFAOYSA-N 2 2 252.362 0.272 20 0 CCADLP C[C@@H](c1nncn1C)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000346991871 137314925 /nfs/dbraw/zinc/31/49/25/137314925.db2.gz YAJPXXTXWGIMJU-ZDUSSCGKSA-N 2 2 294.447 0.834 20 0 CCADLP C[C@@H](c1nncn1C)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000346991871 137314926 /nfs/dbraw/zinc/31/49/26/137314926.db2.gz YAJPXXTXWGIMJU-ZDUSSCGKSA-N 2 2 294.447 0.834 20 0 CCADLP CS(=O)(=O)c1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000045173110 348334505 /nfs/dbraw/zinc/33/45/05/348334505.db2.gz SHBDGHVZKTVMKP-LBPRGKRZSA-N 2 2 268.382 0.932 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000346841761 137307696 /nfs/dbraw/zinc/30/76/96/137307696.db2.gz HCRWWFUMFNIXNL-KBPBESRZSA-N 2 2 294.443 0.271 20 0 CCADLP C[C@@H](C(=O)NC1CC1)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346841761 137307697 /nfs/dbraw/zinc/30/76/97/137307697.db2.gz HCRWWFUMFNIXNL-KBPBESRZSA-N 2 2 294.443 0.271 20 0 CCADLP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(CC(C)(C)[NH3+])CC1 ZINC000346855539 137308691 /nfs/dbraw/zinc/30/86/91/137308691.db2.gz NYJGEIYTCONNFS-ZDUSSCGKSA-N 2 2 296.459 0.789 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000339469923 215192523 /nfs/dbraw/zinc/19/25/23/215192523.db2.gz HPAFGAWSDOIEBN-CHWSQXEVSA-N 2 2 292.383 0.457 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000339469923 215192525 /nfs/dbraw/zinc/19/25/25/215192525.db2.gz HPAFGAWSDOIEBN-CHWSQXEVSA-N 2 2 292.383 0.457 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H](NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000347160906 137323201 /nfs/dbraw/zinc/32/32/01/137323201.db2.gz WCGQKJWMWITYEZ-UKRRQHHQSA-N 2 2 296.459 0.469 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H](NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000347160906 137323202 /nfs/dbraw/zinc/32/32/02/137323202.db2.gz WCGQKJWMWITYEZ-UKRRQHHQSA-N 2 2 296.459 0.469 20 0 CCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000349627362 137397728 /nfs/dbraw/zinc/39/77/28/137397728.db2.gz CKMZRXQBKQYXHN-STQMWFEESA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000349627362 137397729 /nfs/dbraw/zinc/39/77/29/137397729.db2.gz CKMZRXQBKQYXHN-STQMWFEESA-N 2 2 297.399 0.176 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000347673163 137349258 /nfs/dbraw/zinc/34/92/58/137349258.db2.gz CDFTZBNQJOLXPE-ZIAGYGMSSA-N 3 2 254.422 0.164 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000347673163 137349259 /nfs/dbraw/zinc/34/92/59/137349259.db2.gz CDFTZBNQJOLXPE-ZIAGYGMSSA-N 3 2 254.422 0.164 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(C(N)=O)CCCC2)C1 ZINC000347834485 137359997 /nfs/dbraw/zinc/35/99/97/137359997.db2.gz QIXNFPJLZOWFCV-NEPJUHHUSA-N 2 2 253.390 0.962 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(C(N)=O)CCCC2)C1 ZINC000347834485 137359998 /nfs/dbraw/zinc/35/99/98/137359998.db2.gz QIXNFPJLZOWFCV-NEPJUHHUSA-N 2 2 253.390 0.962 20 0 CCADLP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(CC[NH+]2CCOCC2)C1 ZINC000348023064 137369619 /nfs/dbraw/zinc/36/96/19/137369619.db2.gz UXFIGUYNRPZJRG-HOTGVXAUSA-N 2 2 297.443 0.504 20 0 CCADLP CCCC[C@@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976868 348674405 /nfs/dbraw/zinc/67/44/05/348674405.db2.gz MFASGDOPMBBJBU-QWHCGFSZSA-N 2 2 269.389 0.437 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCN1C(=O)CCC1=O ZINC000063195107 348682293 /nfs/dbraw/zinc/68/22/93/348682293.db2.gz LXJYVAKXBRPWOK-QWRGUYRKSA-N 2 2 253.346 0.337 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCN1C(=O)CCC1=O ZINC000063195107 348682295 /nfs/dbraw/zinc/68/22/95/348682295.db2.gz LXJYVAKXBRPWOK-QWRGUYRKSA-N 2 2 253.346 0.337 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC000069501119 348849036 /nfs/dbraw/zinc/84/90/36/348849036.db2.gz HNHBGMVNCVVWHK-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC000069501119 348849038 /nfs/dbraw/zinc/84/90/38/348849038.db2.gz HNHBGMVNCVVWHK-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000070174513 348876472 /nfs/dbraw/zinc/87/64/72/348876472.db2.gz DVVPLQWETUPBAH-QWRGUYRKSA-N 2 2 284.404 0.670 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000070174513 348876475 /nfs/dbraw/zinc/87/64/75/348876475.db2.gz DVVPLQWETUPBAH-QWRGUYRKSA-N 2 2 284.404 0.670 20 0 CCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Cn1cc[nH+]c1 ZINC000073887470 348964770 /nfs/dbraw/zinc/96/47/70/348964770.db2.gz WASNFENQBMACFE-GFCCVEGCSA-N 2 2 250.346 0.682 20 0 CCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Cn1cc[nH+]c1 ZINC000073887470 348964772 /nfs/dbraw/zinc/96/47/72/348964772.db2.gz WASNFENQBMACFE-GFCCVEGCSA-N 2 2 250.346 0.682 20 0 CCADLP CC[NH+]1CCC([N@H+](C)CC(=O)NC(=O)NC2CC2)CC1 ZINC000077249744 349104245 /nfs/dbraw/zinc/10/42/45/349104245.db2.gz YVYVSOUKDBOKJZ-UHFFFAOYSA-N 2 2 282.388 0.391 20 0 CCADLP CC[NH+]1CCC([N@@H+](C)CC(=O)NC(=O)NC2CC2)CC1 ZINC000077249744 349104247 /nfs/dbraw/zinc/10/42/47/349104247.db2.gz YVYVSOUKDBOKJZ-UHFFFAOYSA-N 2 2 282.388 0.391 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000076001231 349062523 /nfs/dbraw/zinc/06/25/23/349062523.db2.gz YOONSVYEXNYXGS-GJZGRUSLSA-N 2 2 297.443 0.945 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000076001231 349062524 /nfs/dbraw/zinc/06/25/24/349062524.db2.gz YOONSVYEXNYXGS-GJZGRUSLSA-N 2 2 297.443 0.945 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)NCCCOC)C1 ZINC000076004136 349063691 /nfs/dbraw/zinc/06/36/91/349063691.db2.gz PSLGXKQYMXQKLX-AWEZNQCLSA-N 2 2 285.432 0.803 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)NCCCOC)C1 ZINC000076004136 349063696 /nfs/dbraw/zinc/06/36/96/349063696.db2.gz PSLGXKQYMXQKLX-AWEZNQCLSA-N 2 2 285.432 0.803 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCOCC2)[C@H](C)C1 ZINC000079461664 349177695 /nfs/dbraw/zinc/17/76/95/349177695.db2.gz VKGUBMAJZAZGGC-KGLIPLIRSA-N 2 2 283.416 0.507 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCOCC2)[C@H](C)C1 ZINC000079461664 349177698 /nfs/dbraw/zinc/17/76/98/349177698.db2.gz VKGUBMAJZAZGGC-KGLIPLIRSA-N 2 2 283.416 0.507 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCOCC2)[C@H](C)C1 ZINC000079461664 349177701 /nfs/dbraw/zinc/17/77/01/349177701.db2.gz VKGUBMAJZAZGGC-KGLIPLIRSA-N 2 2 283.416 0.507 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCOCC2)[C@H](C)C1 ZINC000079461664 349177704 /nfs/dbraw/zinc/17/77/04/349177704.db2.gz VKGUBMAJZAZGGC-KGLIPLIRSA-N 2 2 283.416 0.507 20 0 CCADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081636469 349277871 /nfs/dbraw/zinc/27/78/71/349277871.db2.gz MRETYAUCPQNSJR-OLZOCXBDSA-N 2 2 253.390 0.914 20 0 CCADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081636469 349277874 /nfs/dbraw/zinc/27/78/74/349277874.db2.gz MRETYAUCPQNSJR-OLZOCXBDSA-N 2 2 253.390 0.914 20 0 CCADLP CC[C@@H](C(N)=O)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081636469 349277876 /nfs/dbraw/zinc/27/78/76/349277876.db2.gz MRETYAUCPQNSJR-OLZOCXBDSA-N 2 2 253.390 0.914 20 0 CCADLP CC[C@@H](C(N)=O)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081636469 349277880 /nfs/dbraw/zinc/27/78/80/349277880.db2.gz MRETYAUCPQNSJR-OLZOCXBDSA-N 2 2 253.390 0.914 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081634145 349278492 /nfs/dbraw/zinc/27/84/92/349278492.db2.gz NGIWRICYZOHPEE-WCQYABFASA-N 2 2 296.415 0.494 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081634145 349278494 /nfs/dbraw/zinc/27/84/94/349278494.db2.gz NGIWRICYZOHPEE-WCQYABFASA-N 2 2 296.415 0.494 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081634145 349278496 /nfs/dbraw/zinc/27/84/96/349278496.db2.gz NGIWRICYZOHPEE-WCQYABFASA-N 2 2 296.415 0.494 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081634145 349278498 /nfs/dbraw/zinc/27/84/98/349278498.db2.gz NGIWRICYZOHPEE-WCQYABFASA-N 2 2 296.415 0.494 20 0 CCADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCNS(C)(=O)=O)C1 ZINC000081636495 349278991 /nfs/dbraw/zinc/27/89/91/349278991.db2.gz OCFLXJNKGMIDTL-ZDUSSCGKSA-N 2 2 289.445 0.199 20 0 CCADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCNS(C)(=O)=O)C1 ZINC000081636495 349278994 /nfs/dbraw/zinc/27/89/94/349278994.db2.gz OCFLXJNKGMIDTL-ZDUSSCGKSA-N 2 2 289.445 0.199 20 0 CCADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC000081636495 349278998 /nfs/dbraw/zinc/27/89/98/349278998.db2.gz OCFLXJNKGMIDTL-ZDUSSCGKSA-N 2 2 289.445 0.199 20 0 CCADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000081636495 349279003 /nfs/dbraw/zinc/27/90/03/349279003.db2.gz OCFLXJNKGMIDTL-ZDUSSCGKSA-N 2 2 289.445 0.199 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000081799837 349284089 /nfs/dbraw/zinc/28/40/89/349284089.db2.gz XITMWUAVHYGGRH-OLZOCXBDSA-N 2 2 280.372 0.356 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000081799837 349284090 /nfs/dbraw/zinc/28/40/90/349284090.db2.gz XITMWUAVHYGGRH-OLZOCXBDSA-N 2 2 280.372 0.356 20 0 CCADLP CCNC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000339659982 215286716 /nfs/dbraw/zinc/28/67/16/215286716.db2.gz JEVNGVCPYSZNFD-PBWFPOADSA-N 2 2 283.416 0.696 20 0 CCADLP CCNC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000339659982 215286720 /nfs/dbraw/zinc/28/67/20/215286720.db2.gz JEVNGVCPYSZNFD-PBWFPOADSA-N 2 2 283.416 0.696 20 0 CCADLP CCNC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000339659982 215286721 /nfs/dbraw/zinc/28/67/21/215286721.db2.gz JEVNGVCPYSZNFD-PBWFPOADSA-N 2 2 283.416 0.696 20 0 CCADLP CCNC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000339659982 215286723 /nfs/dbraw/zinc/28/67/23/215286723.db2.gz JEVNGVCPYSZNFD-PBWFPOADSA-N 2 2 283.416 0.696 20 0 CCADLP CCn1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cn1 ZINC000083421857 349305925 /nfs/dbraw/zinc/30/59/25/349305925.db2.gz CDQPVEWITWRVOS-ZIAGYGMSSA-N 2 2 264.373 0.856 20 0 CCADLP CCn1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cn1 ZINC000083421857 349305929 /nfs/dbraw/zinc/30/59/29/349305929.db2.gz CDQPVEWITWRVOS-ZIAGYGMSSA-N 2 2 264.373 0.856 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000084696223 349324645 /nfs/dbraw/zinc/32/46/45/349324645.db2.gz DTFCDUGSVJXPEV-HNNXBMFYSA-N 2 2 297.443 0.947 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000084696223 349324649 /nfs/dbraw/zinc/32/46/49/349324649.db2.gz DTFCDUGSVJXPEV-HNNXBMFYSA-N 2 2 297.443 0.947 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCc2ccccc2)[C@@H](C[NH3+])C1 ZINC000120758402 350003752 /nfs/dbraw/zinc/00/37/52/350003752.db2.gz ABLHQEXANQZVGK-AWEZNQCLSA-N 2 2 261.369 0.721 20 0 CCADLP C[N@H+]1CCN(C(=O)CCc2ccccc2)[C@@H](C[NH3+])C1 ZINC000120758402 350003756 /nfs/dbraw/zinc/00/37/56/350003756.db2.gz ABLHQEXANQZVGK-AWEZNQCLSA-N 2 2 261.369 0.721 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000121202614 350027132 /nfs/dbraw/zinc/02/71/32/350027132.db2.gz HGWBATXKURFDFG-CQSZACIVSA-N 2 2 269.389 0.309 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCOC[C@@H]2C2CC2)CC1 ZINC000090008098 349420184 /nfs/dbraw/zinc/42/01/84/349420184.db2.gz HKKIYGXJKRQKDF-OAHLLOKOSA-N 2 2 295.427 0.698 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCOC[C@@H]2C2CC2)CC1 ZINC000090008098 349420186 /nfs/dbraw/zinc/42/01/86/349420186.db2.gz HKKIYGXJKRQKDF-OAHLLOKOSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]1C[C@@H]([NH+](C)CCCS(=O)(=O)N(C)C)CC[N@@H+]1C ZINC000123266986 350072975 /nfs/dbraw/zinc/07/29/75/350072975.db2.gz GKOMUJSTZHRFKY-OLZOCXBDSA-N 2 2 291.461 0.682 20 0 CCADLP C[C@@H]1C[C@@H]([NH+](C)CCCS(=O)(=O)N(C)C)CC[N@H+]1C ZINC000123266986 350072977 /nfs/dbraw/zinc/07/29/77/350072977.db2.gz GKOMUJSTZHRFKY-OLZOCXBDSA-N 2 2 291.461 0.682 20 0 CCADLP C[C@@H]1C[C@@H]([N@H+](C)CCCS(=O)(=O)N(C)C)CC[NH+]1C ZINC000123266986 350072979 /nfs/dbraw/zinc/07/29/79/350072979.db2.gz GKOMUJSTZHRFKY-OLZOCXBDSA-N 2 2 291.461 0.682 20 0 CCADLP C[C@@H]1C[C@@H]([N@@H+](C)CCCS(=O)(=O)N(C)C)CC[NH+]1C ZINC000123266986 350072981 /nfs/dbraw/zinc/07/29/81/350072981.db2.gz GKOMUJSTZHRFKY-OLZOCXBDSA-N 2 2 291.461 0.682 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000122793657 350069047 /nfs/dbraw/zinc/06/90/47/350069047.db2.gz PMQZJANLPBFFTE-MNOVXSKESA-N 2 2 270.377 0.281 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000122793657 350069051 /nfs/dbraw/zinc/06/90/51/350069051.db2.gz PMQZJANLPBFFTE-MNOVXSKESA-N 2 2 270.377 0.281 20 0 CCADLP COc1ccc(/C=C/C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000124286539 350093153 /nfs/dbraw/zinc/09/31/53/350093153.db2.gz CIDFWYYHTQACCW-GPAKFWEMSA-N 2 2 289.379 0.810 20 0 CCADLP COc1cc(CN2CC[N@H+](C)C[C@H]2C[NH3+])cc(OC)c1 ZINC000124279809 350093219 /nfs/dbraw/zinc/09/32/19/350093219.db2.gz NMXQUDRVHKZGAA-CYBMUJFWSA-N 2 2 279.384 0.779 20 0 CCADLP COc1cc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])cc(OC)c1 ZINC000124279809 350093224 /nfs/dbraw/zinc/09/32/24/350093224.db2.gz NMXQUDRVHKZGAA-CYBMUJFWSA-N 2 2 279.384 0.779 20 0 CCADLP C(C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)C1OCCO1 ZINC000124277173 350093530 /nfs/dbraw/zinc/09/35/30/350093530.db2.gz LYBYYQCQQNUVGR-AWEZNQCLSA-N 2 2 284.400 0.794 20 0 CCADLP C(C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)C1OCCO1 ZINC000124277173 350093532 /nfs/dbraw/zinc/09/35/32/350093532.db2.gz LYBYYQCQQNUVGR-AWEZNQCLSA-N 2 2 284.400 0.794 20 0 CCADLP C[C@H](C(=O)NCCC[NH+]1CCC(C)CC1)[NH+]1CCOCC1 ZINC000339699689 215303285 /nfs/dbraw/zinc/30/32/85/215303285.db2.gz DFECFSOFGJFHFX-OAHLLOKOSA-N 2 2 297.443 0.945 20 0 CCADLP CCNC(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129224985 350208542 /nfs/dbraw/zinc/20/85/42/350208542.db2.gz MEQHUTJBVZJLMI-CYBMUJFWSA-N 2 2 269.389 0.167 20 0 CCADLP CCNC(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129224985 350208544 /nfs/dbraw/zinc/20/85/44/350208544.db2.gz MEQHUTJBVZJLMI-CYBMUJFWSA-N 2 2 269.389 0.167 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000105130183 186043376 /nfs/dbraw/zinc/04/33/76/186043376.db2.gz YYAHJXCZLHBDDX-CHWSQXEVSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000105130183 186043377 /nfs/dbraw/zinc/04/33/77/186043377.db2.gz YYAHJXCZLHBDDX-CHWSQXEVSA-N 2 2 298.431 0.489 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000091669545 180223944 /nfs/dbraw/zinc/22/39/44/180223944.db2.gz TVLQRBWXLJKIIO-HUUCEWRRSA-N 2 2 289.379 0.148 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000091669545 180223945 /nfs/dbraw/zinc/22/39/45/180223945.db2.gz TVLQRBWXLJKIIO-HUUCEWRRSA-N 2 2 289.379 0.148 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000091669009 180224419 /nfs/dbraw/zinc/22/44/19/180224419.db2.gz WOYDEWWVHUUTPT-KBPBESRZSA-N 2 2 277.368 0.523 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000091669009 180224422 /nfs/dbraw/zinc/22/44/22/180224422.db2.gz WOYDEWWVHUUTPT-KBPBESRZSA-N 2 2 277.368 0.523 20 0 CCADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000131478221 350277447 /nfs/dbraw/zinc/27/74/47/350277447.db2.gz SMZAKMZVSKSCKE-UWVGGRQHSA-N 2 2 278.381 0.925 20 0 CCADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cc(=O)n2ccsc2n1 ZINC000131478221 350277449 /nfs/dbraw/zinc/27/74/49/350277449.db2.gz SMZAKMZVSKSCKE-UWVGGRQHSA-N 2 2 278.381 0.925 20 0 CCADLP CNC(=O)CC1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000131568773 350279260 /nfs/dbraw/zinc/27/92/60/350279260.db2.gz OVHHFOBJNNXKLF-UHFFFAOYSA-N 2 2 250.346 0.731 20 0 CCADLP Cc1[nH+]cc(C[NH2+]C[C@@H](O)CO)n1-c1ccccc1 ZINC000092129201 180330164 /nfs/dbraw/zinc/33/01/64/180330164.db2.gz ZTKWSODJIHWYID-CQSZACIVSA-N 2 2 261.325 0.624 20 0 CCADLP COc1c(N)[nH+]cnc1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000134928048 350380257 /nfs/dbraw/zinc/38/02/57/350380257.db2.gz NVFQFJAGWPPXTC-IUCAKERBSA-N 2 2 251.334 0.962 20 0 CCADLP COc1c(N)[nH+]cnc1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000134928048 350380260 /nfs/dbraw/zinc/38/02/60/350380260.db2.gz NVFQFJAGWPPXTC-IUCAKERBSA-N 2 2 251.334 0.962 20 0 CCADLP COc1c(N)nc[nH+]c1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000134928048 350380262 /nfs/dbraw/zinc/38/02/62/350380262.db2.gz NVFQFJAGWPPXTC-IUCAKERBSA-N 2 2 251.334 0.962 20 0 CCADLP COc1c(N)nc[nH+]c1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000134928048 350380266 /nfs/dbraw/zinc/38/02/66/350380266.db2.gz NVFQFJAGWPPXTC-IUCAKERBSA-N 2 2 251.334 0.962 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[NH+]([C@H](C)COC)CC1 ZINC000135518603 350399287 /nfs/dbraw/zinc/39/92/87/350399287.db2.gz GZFKWPGZAQEIHC-CYBMUJFWSA-N 2 2 271.405 0.507 20 0 CCADLP O=c1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)nc2sccn21 ZINC000107855214 186195135 /nfs/dbraw/zinc/19/51/35/186195135.db2.gz RJZMSGPYHLHBKH-AOOOYVTPSA-N 2 2 276.365 0.407 20 0 CCADLP O=c1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)nc2sccn21 ZINC000107855214 186195136 /nfs/dbraw/zinc/19/51/36/186195136.db2.gz RJZMSGPYHLHBKH-AOOOYVTPSA-N 2 2 276.365 0.407 20 0 CCADLP C[C@H]1C[C@H](C)C[NH+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000152607655 350535318 /nfs/dbraw/zinc/53/53/18/350535318.db2.gz STMLZZLLCYVMJS-STQMWFEESA-N 2 2 253.390 0.738 20 0 CCADLP COc1cccc(CNC(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000107576195 186179914 /nfs/dbraw/zinc/17/99/14/186179914.db2.gz IMHAOCHVHHFUBU-OKILXGFUSA-N 2 2 289.379 0.463 20 0 CCADLP COc1cccc(CNC(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000107576195 186179915 /nfs/dbraw/zinc/17/99/15/186179915.db2.gz IMHAOCHVHHFUBU-OKILXGFUSA-N 2 2 289.379 0.463 20 0 CCADLP CCO[C@H]1C[C@@]([NH3+])(C(=O)N(C)Cc2[nH]cc[nH+]2)C1(C)C ZINC000157314356 350643287 /nfs/dbraw/zinc/64/32/87/350643287.db2.gz NGZVTSVAIOSRIC-IINYFYTJSA-N 2 2 280.372 0.901 20 0 CCADLP COC[C@H]([NH3+])C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000159150334 350670492 /nfs/dbraw/zinc/67/04/92/350670492.db2.gz IQEJKNFBRQLMIB-LBPRGKRZSA-N 2 2 278.356 0.140 20 0 CCADLP C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000159889631 350691232 /nfs/dbraw/zinc/69/12/32/350691232.db2.gz PQASESRYVPIOAX-VGMNWLOBSA-N 2 2 267.295 0.723 20 0 CCADLP C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000159889631 350691233 /nfs/dbraw/zinc/69/12/33/350691233.db2.gz PQASESRYVPIOAX-VGMNWLOBSA-N 2 2 267.295 0.723 20 0 CCADLP C[C@H]([NH3+])C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000163950268 350775496 /nfs/dbraw/zinc/77/54/96/350775496.db2.gz ZFSNOFHKYQASPE-LBPRGKRZSA-N 2 2 287.367 0.326 20 0 CCADLP O=C(NCc1cccnc1-n1cc[nH+]c1)[C@H]1CSC[NH2+]1 ZINC000164797339 350782830 /nfs/dbraw/zinc/78/28/30/350782830.db2.gz FEXDOZNYGXMPDA-LLVKDONJSA-N 2 2 289.364 0.546 20 0 CCADLP CC[C@H]([NH3+])C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000164802209 350783015 /nfs/dbraw/zinc/78/30/15/350783015.db2.gz ZBAXAEHNNJLKSF-NSHDSACASA-N 2 2 259.313 0.621 20 0 CCADLP O=C(NCCCNc1cccc[nH+]1)C1CC[NH2+]CC1 ZINC000165235308 350789023 /nfs/dbraw/zinc/78/90/23/350789023.db2.gz CXPBSORTPJCRJO-UHFFFAOYSA-N 2 2 262.357 0.999 20 0 CCADLP C[C@@H](CNC(=O)C[C@@H]1C[NH2+]CCO1)Cn1cc[nH+]c1 ZINC000165585849 350791838 /nfs/dbraw/zinc/79/18/38/350791838.db2.gz XYLPWADAGRGWPV-NWDGAFQWSA-N 2 2 266.345 0.014 20 0 CCADLP CS(=O)(=O)NCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173872382 351059316 /nfs/dbraw/zinc/05/93/16/351059316.db2.gz CUQFQCMPQPAMFE-CYBMUJFWSA-N 2 2 289.445 0.343 20 0 CCADLP CS(=O)(=O)NCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173872382 351059319 /nfs/dbraw/zinc/05/93/19/351059319.db2.gz CUQFQCMPQPAMFE-CYBMUJFWSA-N 2 2 289.445 0.343 20 0 CCADLP C[C@H](NC(=O)N(C)CC[NH+](C)C)[C@H](C)[NH+]1CCOCC1 ZINC000176335268 351169331 /nfs/dbraw/zinc/16/93/31/351169331.db2.gz WJWRIJQAZNYNLP-STQMWFEESA-N 2 2 286.420 0.299 20 0 CCADLP CSCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000178741275 351243259 /nfs/dbraw/zinc/24/32/59/351243259.db2.gz DNWVQVGSLYXQOJ-GFCCVEGCSA-N 2 2 271.430 0.588 20 0 CCADLP CSCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000178741275 351243264 /nfs/dbraw/zinc/24/32/64/351243264.db2.gz DNWVQVGSLYXQOJ-GFCCVEGCSA-N 2 2 271.430 0.588 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000178744665 351243480 /nfs/dbraw/zinc/24/34/80/351243480.db2.gz NEVMHVAJXAKWRO-NSHDSACASA-N 2 2 257.378 0.069 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000178744665 351243485 /nfs/dbraw/zinc/24/34/85/351243485.db2.gz NEVMHVAJXAKWRO-NSHDSACASA-N 2 2 257.378 0.069 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000178861566 351249767 /nfs/dbraw/zinc/24/97/67/351249767.db2.gz RNFFBEUSRGQZRL-AVGNSLFASA-N 2 2 269.389 0.021 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CCOC2)CC1 ZINC000177150321 351196079 /nfs/dbraw/zinc/19/60/79/351196079.db2.gz UCBXRLOLSQZVEJ-GFCCVEGCSA-N 2 2 269.389 0.165 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000178062657 351218275 /nfs/dbraw/zinc/21/82/75/351218275.db2.gz JJLCGRJMKFXUOG-ZDUSSCGKSA-N 2 2 288.351 0.671 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000178062657 351218281 /nfs/dbraw/zinc/21/82/81/351218281.db2.gz JJLCGRJMKFXUOG-ZDUSSCGKSA-N 2 2 288.351 0.671 20 0 CCADLP CC1CC[NH+](CC(=O)NCCc2[nH]cc[nH+]2)CC1 ZINC000178173522 351222056 /nfs/dbraw/zinc/22/20/56/351222056.db2.gz CYIOMILBBKWIGF-UHFFFAOYSA-N 2 2 250.346 0.800 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1nccc(N)n1 ZINC000180951064 351296138 /nfs/dbraw/zinc/29/61/38/351296138.db2.gz QFIQAQMHDXUKLR-UHFFFAOYSA-N 2 2 292.431 0.517 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1nccc(N)n1 ZINC000180951064 351296139 /nfs/dbraw/zinc/29/61/39/351296139.db2.gz QFIQAQMHDXUKLR-UHFFFAOYSA-N 2 2 292.431 0.517 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)[C@]2(C)CCCC[NH2+]2)C[C@@H]1C ZINC000181003274 351297734 /nfs/dbraw/zinc/29/77/34/351297734.db2.gz JHZXOWDTGUZKKJ-ZFWWWQNUSA-N 2 2 283.416 0.698 20 0 CCADLP COCC[N@H+]1CCN(C(=O)[C@]2(C)CCCC[NH2+]2)C[C@@H]1C ZINC000181003274 351297738 /nfs/dbraw/zinc/29/77/38/351297738.db2.gz JHZXOWDTGUZKKJ-ZFWWWQNUSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cnc[nH]2)CC1 ZINC000179674293 351275444 /nfs/dbraw/zinc/27/54/44/351275444.db2.gz VXHKTSJQORWMTE-UHFFFAOYSA-N 2 2 279.388 0.300 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000186675961 351507875 /nfs/dbraw/zinc/50/78/75/351507875.db2.gz PDPYOPCAGRHXMA-AAEUAGOBSA-N 2 2 285.351 0.995 20 0 CCADLP COC[C@@]1(C[NH2+]Cc2cnc(N(C)C)nc2)CCC[NH2+]1 ZINC000414938879 233688309 /nfs/dbraw/zinc/68/83/09/233688309.db2.gz FLUAXPKFLIAIID-AWEZNQCLSA-N 2 2 279.388 0.401 20 0 CCADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1c[nH]c[nH+]1 ZINC000188740996 351623932 /nfs/dbraw/zinc/62/39/32/351623932.db2.gz IXIJVEKJRWZSMF-LLVKDONJSA-N 2 2 252.362 0.687 20 0 CCADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1c[nH]c[nH+]1 ZINC000188740996 351623938 /nfs/dbraw/zinc/62/39/38/351623938.db2.gz IXIJVEKJRWZSMF-LLVKDONJSA-N 2 2 252.362 0.687 20 0 CCADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1c[nH+]c[nH]1 ZINC000188740996 351623945 /nfs/dbraw/zinc/62/39/45/351623945.db2.gz IXIJVEKJRWZSMF-LLVKDONJSA-N 2 2 252.362 0.687 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000191516326 351762456 /nfs/dbraw/zinc/76/24/56/351762456.db2.gz CDHPTTLXUIJNOG-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000191516326 351762460 /nfs/dbraw/zinc/76/24/60/351762460.db2.gz CDHPTTLXUIJNOG-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP O=C1NC(=O)[C@]2(CCC[N@H+](Cc3cccc4[nH+]ccn43)C2)N1 ZINC000193469168 351829399 /nfs/dbraw/zinc/82/93/99/351829399.db2.gz RKBZEJVTVJDNQN-OAHLLOKOSA-N 2 2 299.334 0.508 20 0 CCADLP O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3cccc4[nH+]ccn43)C2)N1 ZINC000193469168 351829400 /nfs/dbraw/zinc/82/94/00/351829400.db2.gz RKBZEJVTVJDNQN-OAHLLOKOSA-N 2 2 299.334 0.508 20 0 CCADLP C[N@H+](CCOc1ccccc1)CC(=O)N1CC[NH+](C)CC1 ZINC000122775949 187051200 /nfs/dbraw/zinc/05/12/00/187051200.db2.gz OPHBRJJLHSXDSG-UHFFFAOYSA-N 2 2 291.395 0.771 20 0 CCADLP C[N@@H+](CCOc1ccccc1)CC(=O)N1CC[NH+](C)CC1 ZINC000122775949 187051201 /nfs/dbraw/zinc/05/12/01/187051201.db2.gz OPHBRJJLHSXDSG-UHFFFAOYSA-N 2 2 291.395 0.771 20 0 CCADLP COc1ccc([C@H](NC(=O)[C@H](C)[NH3+])c2[nH+]ccn2C)cc1 ZINC000195142638 351898539 /nfs/dbraw/zinc/89/85/39/351898539.db2.gz GUZSCCGRBOKGHY-GWCFXTLKSA-N 2 2 288.351 0.982 20 0 CCADLP Cc1ccc([C@H]([NH3+])C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000228094626 352067947 /nfs/dbraw/zinc/06/79/47/352067947.db2.gz KNWLNZUULVMHIG-CABCVRRESA-N 2 2 290.411 0.357 20 0 CCADLP Cc1ccc([C@H]([NH3+])C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000228094626 352067955 /nfs/dbraw/zinc/06/79/55/352067955.db2.gz KNWLNZUULVMHIG-CABCVRRESA-N 2 2 290.411 0.357 20 0 CCADLP COc1cc(C)[nH+]c(CNC[C@](C)(O)C[NH+](C)C)c1 ZINC000225911906 352017309 /nfs/dbraw/zinc/01/73/09/352017309.db2.gz WQIYMKSJNBMQEM-AWEZNQCLSA-N 2 2 267.373 0.801 20 0 CCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000226401511 352025688 /nfs/dbraw/zinc/02/56/88/352025688.db2.gz HCOWLBDGCHKIPY-OCCSQVGLSA-N 2 2 261.369 0.719 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1CNc1nc[nH+]c(N)c1Cl ZINC000234353158 352158024 /nfs/dbraw/zinc/15/80/24/352158024.db2.gz GLGSIVAQVZCSPQ-QMMMGPOBSA-N 2 2 270.768 0.370 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1CNc1nc[nH+]c(N)c1Cl ZINC000234353158 352158029 /nfs/dbraw/zinc/15/80/29/352158029.db2.gz GLGSIVAQVZCSPQ-QMMMGPOBSA-N 2 2 270.768 0.370 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000236806696 352216839 /nfs/dbraw/zinc/21/68/39/352216839.db2.gz RKVMUZHZUOGBRC-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP CCN(CC)c1ccc(CNC(=O)CC[NH3+])c[nH+]1 ZINC000236906198 352226796 /nfs/dbraw/zinc/22/67/96/352226796.db2.gz ZZENOUUVLRERSI-UHFFFAOYSA-N 2 2 250.346 0.893 20 0 CCADLP O=C(NCCC[NH2+]C1CC1)NCC1([NH+]2CCOCC2)CC1 ZINC000418108996 234007365 /nfs/dbraw/zinc/00/73/65/234007365.db2.gz CBDVBDANWQCADZ-UHFFFAOYSA-N 2 2 296.415 0.293 20 0 CCADLP O=C1NCC[C@@H]1[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000245691909 352333565 /nfs/dbraw/zinc/33/35/65/352333565.db2.gz PXJDCMGLEBTCGY-RYUDHWBXSA-N 2 2 260.341 0.704 20 0 CCADLP O=C1NCC[C@@H]1[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000245691909 352333566 /nfs/dbraw/zinc/33/35/66/352333566.db2.gz PXJDCMGLEBTCGY-RYUDHWBXSA-N 2 2 260.341 0.704 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N(C)C)C[C@H]1n1cc[nH+]c1 ZINC000246383943 352363062 /nfs/dbraw/zinc/36/30/62/352363062.db2.gz ZXUUDHFZYSRMPR-NWDGAFQWSA-N 2 2 250.346 0.854 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N(C)C)C[C@H]1n1cc[nH+]c1 ZINC000246383943 352363067 /nfs/dbraw/zinc/36/30/67/352363067.db2.gz ZXUUDHFZYSRMPR-NWDGAFQWSA-N 2 2 250.346 0.854 20 0 CCADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NC3CCOCC3)CC[C@H]21 ZINC000248135398 352433037 /nfs/dbraw/zinc/43/30/37/352433037.db2.gz OZWFEARHMYPTLX-UKRRQHHQSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NC3CCOCC3)CC[C@H]21 ZINC000248135398 352433038 /nfs/dbraw/zinc/43/30/38/352433038.db2.gz OZWFEARHMYPTLX-UKRRQHHQSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NC3CCOCC3)CC[C@H]21 ZINC000248135398 352433040 /nfs/dbraw/zinc/43/30/40/352433040.db2.gz OZWFEARHMYPTLX-UKRRQHHQSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NC3CCOCC3)CC[C@H]21 ZINC000248135398 352433043 /nfs/dbraw/zinc/43/30/43/352433043.db2.gz OZWFEARHMYPTLX-UKRRQHHQSA-N 2 2 295.427 0.698 20 0 CCADLP O[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)C(F)(F)F ZINC000248394879 352437118 /nfs/dbraw/zinc/43/71/18/352437118.db2.gz NRXASGMBLHERNR-VXGBXAGGSA-N 2 2 296.333 0.954 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)C[C@@H]1C ZINC000248398991 352438927 /nfs/dbraw/zinc/43/89/27/352438927.db2.gz JHZXOWDTGUZKKJ-DZGCQCFKSA-N 2 2 283.416 0.698 20 0 CCADLP COCC[N@H+]1CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)C[C@@H]1C ZINC000248398991 352438930 /nfs/dbraw/zinc/43/89/30/352438930.db2.gz JHZXOWDTGUZKKJ-DZGCQCFKSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+](C)[C@@H]1CCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)C1 ZINC000247254166 352407417 /nfs/dbraw/zinc/40/74/17/352407417.db2.gz UFYYARARWPQRJS-OLZOCXBDSA-N 2 2 291.399 0.578 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)N(C)C2)C[N@@H+]1C1CC1 ZINC000252710668 352523532 /nfs/dbraw/zinc/52/35/32/352523532.db2.gz HISGNCOWITWMPF-WOPDTQHZSA-N 2 2 251.374 0.822 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)N(C)C2)C[N@H+]1C1CC1 ZINC000252710668 352523537 /nfs/dbraw/zinc/52/35/37/352523537.db2.gz HISGNCOWITWMPF-WOPDTQHZSA-N 2 2 251.374 0.822 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000134486725 187753867 /nfs/dbraw/zinc/75/38/67/187753867.db2.gz ZJLRHIWPEDOQGY-RYUDHWBXSA-N 2 2 250.346 0.778 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000262030933 352571016 /nfs/dbraw/zinc/57/10/16/352571016.db2.gz XDZCVONYPQRVRF-ZIAGYGMSSA-N 2 2 281.400 0.309 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CC[C@@H]2CCOC2)C1 ZINC000262030933 352571018 /nfs/dbraw/zinc/57/10/18/352571018.db2.gz XDZCVONYPQRVRF-ZIAGYGMSSA-N 2 2 281.400 0.309 20 0 CCADLP C[N@H+](CCN1C(=O)c2ccccc2C1=O)CC(C)(C)[NH3+] ZINC000262045459 352572667 /nfs/dbraw/zinc/57/26/67/352572667.db2.gz YYCKODAUDCDJRS-UHFFFAOYSA-N 2 2 275.352 0.952 20 0 CCADLP C[N@@H+](CCN1C(=O)c2ccccc2C1=O)CC(C)(C)[NH3+] ZINC000262045459 352572670 /nfs/dbraw/zinc/57/26/70/352572670.db2.gz YYCKODAUDCDJRS-UHFFFAOYSA-N 2 2 275.352 0.952 20 0 CCADLP C[C@]1(C[N@@H+]2CCC[C@H](S(C)(=O)=O)CC2)CC[NH2+]C1 ZINC000262084052 352576628 /nfs/dbraw/zinc/57/66/28/352576628.db2.gz UCISXEYVEWGKLK-STQMWFEESA-N 2 2 274.430 0.885 20 0 CCADLP C[C@]1(C[N@H+]2CCC[C@H](S(C)(=O)=O)CC2)CC[NH2+]C1 ZINC000262084052 352576633 /nfs/dbraw/zinc/57/66/33/352576633.db2.gz UCISXEYVEWGKLK-STQMWFEESA-N 2 2 274.430 0.885 20 0 CCADLP [NH3+]CC[N@H+](CCO)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000262092295 352577935 /nfs/dbraw/zinc/57/79/35/352577935.db2.gz HFMDDTSOZVBMJS-MRXNPFEDSA-N 2 2 294.395 0.997 20 0 CCADLP [NH3+]CC[N@@H+](CCO)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000262092295 352577937 /nfs/dbraw/zinc/57/79/37/352577937.db2.gz HFMDDTSOZVBMJS-MRXNPFEDSA-N 2 2 294.395 0.997 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C[C@]1(C)CC[NH2+]C1 ZINC000262120413 352579722 /nfs/dbraw/zinc/57/97/22/352579722.db2.gz XFTDLWSZZUBRQB-ZIAGYGMSSA-N 2 2 255.406 0.639 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000262141722 352582139 /nfs/dbraw/zinc/58/21/39/352582139.db2.gz PGDCPTXRGOCGQQ-OUCADQQQSA-N 2 2 299.415 0.456 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265545207 352645151 /nfs/dbraw/zinc/64/51/51/352645151.db2.gz XQYDUNOAFLHXCR-UHFFFAOYSA-N 2 2 293.371 0.825 20 0 CCADLP COC(=O)CNC(=O)[C@@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266732267 352717607 /nfs/dbraw/zinc/71/76/07/352717607.db2.gz JVFMIVPSGCGDKD-SNVBAGLBSA-N 2 2 294.355 0.267 20 0 CCADLP COCC[NH+]1CCC([NH2+]Cc2ccc(CO)o2)CC1 ZINC000266074213 352680091 /nfs/dbraw/zinc/68/00/91/352680091.db2.gz DIJIIAZPKPITOQ-UHFFFAOYSA-N 2 2 268.357 0.972 20 0 CCADLP CC(C)CNC(=O)[C@@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266919908 352732543 /nfs/dbraw/zinc/73/25/43/352732543.db2.gz LNMRCICLGZVCMP-CYBMUJFWSA-N 2 2 293.415 0.703 20 0 CCADLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)NC[C@@H]1CCCO1 ZINC000269618595 352853252 /nfs/dbraw/zinc/85/32/52/352853252.db2.gz HMBLVKAXILMZON-STQMWFEESA-N 2 2 292.383 0.884 20 0 CCADLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)NC[C@@H]1CCCO1 ZINC000269618595 352853255 /nfs/dbraw/zinc/85/32/55/352853255.db2.gz HMBLVKAXILMZON-STQMWFEESA-N 2 2 292.383 0.884 20 0 CCADLP Cc1c[nH+]ccc1N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000684566647 545703139 /nfs/dbraw/zinc/70/31/39/545703139.db2.gz UBYCGITVIQWEER-UHFFFAOYSA-N 2 2 262.357 0.600 20 0 CCADLP C[C@@H](NC(=O)N1CC[NH+](Cc2ccco2)CC1)[C@H](C)[NH3+] ZINC000418692737 234208025 /nfs/dbraw/zinc/20/80/25/234208025.db2.gz GCQQOTNXDUBVFU-NWDGAFQWSA-N 2 2 280.372 0.843 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[N@H+](C)CCn1cc[nH+]c1C ZINC000270553842 352947650 /nfs/dbraw/zinc/94/76/50/352947650.db2.gz CDCFGFYYVDOSHE-NSHDSACASA-N 2 2 273.402 0.947 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[N@@H+](C)CCn1cc[nH+]c1C ZINC000270553842 352947651 /nfs/dbraw/zinc/94/76/51/352947651.db2.gz CDCFGFYYVDOSHE-NSHDSACASA-N 2 2 273.402 0.947 20 0 CCADLP Cc1cc(C)c(CNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)c[nH+]1 ZINC000418883245 234251542 /nfs/dbraw/zinc/25/15/42/234251542.db2.gz BXJNEPDVPOGXHO-LBPRGKRZSA-N 2 2 290.367 0.135 20 0 CCADLP C[NH+]1CCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000273218122 353111136 /nfs/dbraw/zinc/11/11/36/353111136.db2.gz UYOWXYYVEYAOPB-CYBMUJFWSA-N 2 2 291.399 0.580 20 0 CCADLP COCCNC(=O)C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000274370817 353123848 /nfs/dbraw/zinc/12/38/48/353123848.db2.gz PYTJWRQLUQIFNP-UHFFFAOYSA-N 2 2 292.383 0.275 20 0 CCADLP CO[C@H](CC(C)C)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000419178590 234323430 /nfs/dbraw/zinc/32/34/30/234323430.db2.gz CBENGCJLLPZQIP-CQSZACIVSA-N 2 2 285.432 0.753 20 0 CCADLP C[C@H]1C[N@H+](CCCNC(=O)CCn2cc[nH+]c2)CCCO1 ZINC000277498878 353246224 /nfs/dbraw/zinc/24/62/24/353246224.db2.gz JUEWQXHLCHEIJX-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP C[C@H]1C[N@@H+](CCCNC(=O)CCn2cc[nH+]c2)CCCO1 ZINC000277498878 353246228 /nfs/dbraw/zinc/24/62/28/353246228.db2.gz JUEWQXHLCHEIJX-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP COc1cc[nH+]c(CN2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)c1 ZINC000419328314 234369876 /nfs/dbraw/zinc/36/98/76/234369876.db2.gz OLZWGHSEVXZUSY-OLZOCXBDSA-N 2 2 279.384 0.977 20 0 CCADLP COc1cc[nH+]c(CN2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)c1 ZINC000419328314 234369880 /nfs/dbraw/zinc/36/98/80/234369880.db2.gz OLZWGHSEVXZUSY-OLZOCXBDSA-N 2 2 279.384 0.977 20 0 CCADLP C[NH+](C)CCNc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000278498928 353302693 /nfs/dbraw/zinc/30/26/93/353302693.db2.gz ZNWPYKRWALKMHQ-LBPRGKRZSA-N 2 2 279.388 0.801 20 0 CCADLP CSCC[C@H]([NH3+])C(=O)N(C)CCCn1cc[nH+]c1 ZINC000157640341 188330135 /nfs/dbraw/zinc/33/01/35/188330135.db2.gz WATIAQJPMFUSNZ-NSHDSACASA-N 2 2 270.402 0.812 20 0 CCADLP C[NH2+]CC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000281402822 353390671 /nfs/dbraw/zinc/39/06/71/353390671.db2.gz FQCARZPWJWTERM-UHFFFAOYSA-N 2 2 262.357 0.908 20 0 CCADLP C[N@H+](CCOCCO)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000282613604 353439545 /nfs/dbraw/zinc/43/95/45/353439545.db2.gz XFTKRTJTAWJOLX-UHFFFAOYSA-N 2 2 276.340 0.708 20 0 CCADLP C[N@@H+](CCOCCO)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000282613604 353439546 /nfs/dbraw/zinc/43/95/46/353439546.db2.gz XFTKRTJTAWJOLX-UHFFFAOYSA-N 2 2 276.340 0.708 20 0 CCADLP CC[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@@H+]1CCOC ZINC000283649025 353521062 /nfs/dbraw/zinc/52/10/62/353521062.db2.gz CVOIZFOAULDQHL-NNTXTVRGSA-N 2 2 292.383 0.992 20 0 CCADLP CC[C@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@H+]1CCOC ZINC000283649025 353521065 /nfs/dbraw/zinc/52/10/65/353521065.db2.gz CVOIZFOAULDQHL-NNTXTVRGSA-N 2 2 292.383 0.992 20 0 CCADLP COCC[N@H+](C)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000287789215 353667859 /nfs/dbraw/zinc/66/78/59/353667859.db2.gz RMCGLCVLUBRHQG-UHFFFAOYSA-N 2 2 254.334 0.037 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000287789215 353667862 /nfs/dbraw/zinc/66/78/62/353667862.db2.gz RMCGLCVLUBRHQG-UHFFFAOYSA-N 2 2 254.334 0.037 20 0 CCADLP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000655466261 412583888 /nfs/dbraw/zinc/58/38/88/412583888.db2.gz UKSBSSRTYKJCHX-GRYCIOLGSA-N 2 2 262.357 0.689 20 0 CCADLP C[C@H](O)CNc1cc(N2CC([NH+](C)C)C2)nc[nH+]1 ZINC000298942532 353979308 /nfs/dbraw/zinc/97/93/08/353979308.db2.gz PPSNIKQXNJIEIR-VIFPVBQESA-N 2 2 251.334 0.020 20 0 CCADLP C[C@@H](C[NH2+]C[C@@H]1CNc2ccnn2C1)C[NH+]1CCOCC1 ZINC000606472494 363291062 /nfs/dbraw/zinc/29/10/62/363291062.db2.gz JQVHLJVJSQZREP-UONOGXRCSA-N 2 2 293.415 0.483 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000606437778 363286950 /nfs/dbraw/zinc/28/69/50/363286950.db2.gz ZVIADVIJXKKRFG-INIZCTEOSA-N 2 2 297.443 0.505 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000606437778 363286957 /nfs/dbraw/zinc/28/69/57/363286957.db2.gz ZVIADVIJXKKRFG-INIZCTEOSA-N 2 2 297.443 0.505 20 0 CCADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000299680988 354039145 /nfs/dbraw/zinc/03/91/45/354039145.db2.gz SRGQNBBOGDJPCP-LBPRGKRZSA-N 2 2 266.345 0.110 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000305113003 354131754 /nfs/dbraw/zinc/13/17/54/354131754.db2.gz GRTZJOWWNIWTTO-KBXIAJHMSA-N 3 2 269.433 0.761 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000305113003 354131758 /nfs/dbraw/zinc/13/17/58/354131758.db2.gz GRTZJOWWNIWTTO-KBXIAJHMSA-N 3 2 269.433 0.761 20 0 CCADLP CC(C)OC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000304352640 354114588 /nfs/dbraw/zinc/11/45/88/354114588.db2.gz VTWNQQHMMRFTHI-GJZGRUSLSA-N 2 2 286.416 0.426 20 0 CCADLP CC(C)OC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000304352640 354114591 /nfs/dbraw/zinc/11/45/91/354114591.db2.gz VTWNQQHMMRFTHI-GJZGRUSLSA-N 2 2 286.416 0.426 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCSC[C@H]1C ZINC000310564250 354190255 /nfs/dbraw/zinc/19/02/55/354190255.db2.gz WVMCRZOFTRXREJ-VXGBXAGGSA-N 2 2 262.419 0.363 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCSC[C@H]1C ZINC000310564250 354190258 /nfs/dbraw/zinc/19/02/58/354190258.db2.gz WVMCRZOFTRXREJ-VXGBXAGGSA-N 2 2 262.419 0.363 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCSC[C@H]1C ZINC000310564250 354190260 /nfs/dbraw/zinc/19/02/60/354190260.db2.gz WVMCRZOFTRXREJ-VXGBXAGGSA-N 2 2 262.419 0.363 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCSC[C@H]1C ZINC000310564250 354190262 /nfs/dbraw/zinc/19/02/62/354190262.db2.gz WVMCRZOFTRXREJ-VXGBXAGGSA-N 2 2 262.419 0.363 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000310795688 354191843 /nfs/dbraw/zinc/19/18/43/354191843.db2.gz VYSDUHPCPXQGQE-WDEREUQCSA-N 2 2 250.346 0.944 20 0 CCADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)Nc3nccs3)C[C@H]12 ZINC000311214416 354197789 /nfs/dbraw/zinc/19/77/89/354197789.db2.gz MLWKIIKGBQCHSN-LPEHRKFASA-N 2 2 266.370 0.751 20 0 CCADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)Nc3nccs3)C[C@H]12 ZINC000311214416 354197792 /nfs/dbraw/zinc/19/77/92/354197792.db2.gz MLWKIIKGBQCHSN-LPEHRKFASA-N 2 2 266.370 0.751 20 0 CCADLP CC[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)CCOC)CCCO1 ZINC000311647182 354202640 /nfs/dbraw/zinc/20/26/40/354202640.db2.gz CJGCENIADURYEZ-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP CC[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)CCOC)CCCO1 ZINC000311647182 354202641 /nfs/dbraw/zinc/20/26/41/354202641.db2.gz CJGCENIADURYEZ-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP CC[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)CCOC)CCCO1 ZINC000311647182 354202643 /nfs/dbraw/zinc/20/26/43/354202643.db2.gz CJGCENIADURYEZ-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP CC[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)CCOC)CCCO1 ZINC000311647182 354202644 /nfs/dbraw/zinc/20/26/44/354202644.db2.gz CJGCENIADURYEZ-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP C[C@@H](C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)C[NH+]1CCCC1 ZINC000312117909 354206899 /nfs/dbraw/zinc/20/68/99/354206899.db2.gz RUWKTGXNWHDHPB-ZFWWWQNUSA-N 3 2 269.433 0.763 20 0 CCADLP C[C@@H](C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C[NH+]1CCCC1 ZINC000312117909 354206902 /nfs/dbraw/zinc/20/69/02/354206902.db2.gz RUWKTGXNWHDHPB-ZFWWWQNUSA-N 3 2 269.433 0.763 20 0 CCADLP C[C@@H]1CO[C@H](CO)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000314467997 354222605 /nfs/dbraw/zinc/22/26/05/354222605.db2.gz ZFNKQUQNHYYKIZ-YPMHNXCESA-N 2 2 253.346 0.434 20 0 CCADLP C[C@@H]1CO[C@H](CO)C[N@H+]1CCCc1c[nH+]cn1C ZINC000314467997 354222608 /nfs/dbraw/zinc/22/26/08/354222608.db2.gz ZFNKQUQNHYYKIZ-YPMHNXCESA-N 2 2 253.346 0.434 20 0 CCADLP [NH3+]CC1(CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000655483345 412588446 /nfs/dbraw/zinc/58/84/46/412588446.db2.gz BXGQIBRYIRJPMG-LLVKDONJSA-N 2 2 262.357 0.691 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)NCc2[nH+]ccn2CC(C)C)[N@H+](C)C1 ZINC000330541504 354401175 /nfs/dbraw/zinc/40/11/75/354401175.db2.gz IBRIRKKNFDWAKZ-STQMWFEESA-N 2 2 294.399 0.874 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)NCc2[nH+]ccn2CC(C)C)[N@@H+](C)C1 ZINC000330541504 354401179 /nfs/dbraw/zinc/40/11/79/354401179.db2.gz IBRIRKKNFDWAKZ-STQMWFEESA-N 2 2 294.399 0.874 20 0 CCADLP C[NH2+][C@@H](C)C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487205 412590724 /nfs/dbraw/zinc/59/07/24/412590724.db2.gz ANOXSAGJUMSCJO-WYUUTHIRSA-N 2 2 257.378 0.208 20 0 CCADLP C[NH2+][C@@H](C)C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487205 412590725 /nfs/dbraw/zinc/59/07/25/412590725.db2.gz ANOXSAGJUMSCJO-WYUUTHIRSA-N 2 2 257.378 0.208 20 0 CCADLP Cn1cc([C@@H](CO)[NH2+]CC[C@H]2CCC[N@@H+]2C)cn1 ZINC000331146325 354466612 /nfs/dbraw/zinc/46/66/12/354466612.db2.gz HFLPZQLZLVSISE-CHWSQXEVSA-N 2 2 252.362 0.527 20 0 CCADLP Cn1cc([C@@H](CO)[NH2+]CC[C@H]2CCC[N@H+]2C)cn1 ZINC000331146325 354466616 /nfs/dbraw/zinc/46/66/16/354466616.db2.gz HFLPZQLZLVSISE-CHWSQXEVSA-N 2 2 252.362 0.527 20 0 CCADLP CC(C)[C@@H](C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)[NH+](C)C ZINC000557580022 291036598 /nfs/dbraw/zinc/03/65/98/291036598.db2.gz TVICTGBMRKQVBQ-KFWWJZLASA-N 2 2 297.443 0.894 20 0 CCADLP c1nc(N2CCCC2)cc(NC[C@H]2C[NH2+]CCCO2)[nH+]1 ZINC000333626051 354765912 /nfs/dbraw/zinc/76/59/12/354765912.db2.gz FVYFYDBDBGXPAW-GFCCVEGCSA-N 2 2 277.372 0.867 20 0 CCADLP c1nc(NC[C@H]2C[NH2+]CCCO2)cc(N2CCCC2)[nH+]1 ZINC000333626051 354765914 /nfs/dbraw/zinc/76/59/14/354765914.db2.gz FVYFYDBDBGXPAW-GFCCVEGCSA-N 2 2 277.372 0.867 20 0 CCADLP O=C(NCc1ccn2cc[nH+]c2c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333643861 354768983 /nfs/dbraw/zinc/76/89/83/354768983.db2.gz UTQWDSRMQBWBAI-OLZOCXBDSA-N 2 2 285.351 0.838 20 0 CCADLP CC1(C)CN(C(=O)NCC2([NH+]3CCOCC3)CC2)CC[NH2+]1 ZINC000333854667 354806053 /nfs/dbraw/zinc/80/60/53/354806053.db2.gz XZOJNBKGLXWNEG-UHFFFAOYSA-N 2 2 296.415 0.245 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000335076561 354958177 /nfs/dbraw/zinc/95/81/77/354958177.db2.gz MKPALUDZSPZDGT-WDEREUQCSA-N 2 2 250.346 0.743 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000335076561 354958179 /nfs/dbraw/zinc/95/81/79/354958179.db2.gz MKPALUDZSPZDGT-WDEREUQCSA-N 2 2 250.346 0.743 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCc2ccsc2)[C@H](C[NH3+])C1 ZINC000558343686 291052038 /nfs/dbraw/zinc/05/20/38/291052038.db2.gz CJBWRLMKAUTKTR-GFCCVEGCSA-N 2 2 267.398 0.782 20 0 CCADLP C[N@H+]1CCN(C(=O)CCc2ccsc2)[C@H](C[NH3+])C1 ZINC000558343686 291052041 /nfs/dbraw/zinc/05/20/41/291052041.db2.gz CJBWRLMKAUTKTR-GFCCVEGCSA-N 2 2 267.398 0.782 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000423756617 235060354 /nfs/dbraw/zinc/06/03/54/235060354.db2.gz GXXLESGNHCBKOD-CYBMUJFWSA-N 2 2 288.351 0.852 20 0 CCADLP C[C@H](C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000423967152 235129460 /nfs/dbraw/zinc/12/94/60/235129460.db2.gz HBTQNNIAPIOUSQ-ILXRZTDVSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H](C(=O)N1CCC(n2cc[nH+]c2)CC1)[NH+]1CCOCC1 ZINC000328710909 202023745 /nfs/dbraw/zinc/02/37/45/202023745.db2.gz AYQAKPDWRKNUOR-ZDUSSCGKSA-N 2 2 292.383 0.767 20 0 CCADLP [NH3+][C@@H]1C[C@@H]1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000424140638 235160233 /nfs/dbraw/zinc/16/02/33/235160233.db2.gz SNYYCEVVQQWQEQ-UONOGXRCSA-N 2 2 270.336 0.895 20 0 CCADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000336841102 355211730 /nfs/dbraw/zinc/21/17/30/355211730.db2.gz NRPVGJFCWFAJHX-GFCCVEGCSA-N 2 2 291.355 0.208 20 0 CCADLP Cc1[nH+]ccn1CCCC[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000336841102 355211731 /nfs/dbraw/zinc/21/17/31/355211731.db2.gz NRPVGJFCWFAJHX-GFCCVEGCSA-N 2 2 291.355 0.208 20 0 CCADLP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1nnnn1C ZINC000336799835 355173503 /nfs/dbraw/zinc/17/35/03/355173503.db2.gz KELAOXCALVEEOH-UHFFFAOYSA-N 2 2 263.349 0.627 20 0 CCADLP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1nnnn1C ZINC000336799835 355173508 /nfs/dbraw/zinc/17/35/08/355173508.db2.gz KELAOXCALVEEOH-UHFFFAOYSA-N 2 2 263.349 0.627 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000336802797 355178143 /nfs/dbraw/zinc/17/81/43/355178143.db2.gz VXHGUKQXFPHSJY-UHFFFAOYSA-N 2 2 286.401 0.192 20 0 CCADLP CC(C)[C@@H]1C[N@H+](C)CCN1CCC[NH+]1CCOCC1 ZINC000336803448 355179471 /nfs/dbraw/zinc/17/94/71/355179471.db2.gz YMZUQXIQDRFWMN-HNNXBMFYSA-N 2 2 269.433 0.981 20 0 CCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1CCC[NH+]1CCOCC1 ZINC000336803448 355179476 /nfs/dbraw/zinc/17/94/76/355179476.db2.gz YMZUQXIQDRFWMN-HNNXBMFYSA-N 2 2 269.433 0.981 20 0 CCADLP CC(C)[C@@H](O)C[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000336807291 355183317 /nfs/dbraw/zinc/18/33/17/355183317.db2.gz IFWJIUQEJXRCIC-ZDUSSCGKSA-N 2 2 266.389 0.555 20 0 CCADLP O=C(C[C@@H]1CC[NH2+]C1)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424188764 235174230 /nfs/dbraw/zinc/17/42/30/235174230.db2.gz JUZPCRJPJFQOLM-VHSXEESVSA-N 2 2 261.316 0.347 20 0 CCADLP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000336814234 355187882 /nfs/dbraw/zinc/18/78/82/355187882.db2.gz FDCVHHLUQZGUBF-CHWSQXEVSA-N 2 2 289.445 0.436 20 0 CCADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000336814234 355187885 /nfs/dbraw/zinc/18/78/85/355187885.db2.gz FDCVHHLUQZGUBF-CHWSQXEVSA-N 2 2 289.445 0.436 20 0 CCADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000336814234 355187890 /nfs/dbraw/zinc/18/78/90/355187890.db2.gz FDCVHHLUQZGUBF-CHWSQXEVSA-N 2 2 289.445 0.436 20 0 CCADLP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000336814234 355187892 /nfs/dbraw/zinc/18/78/92/355187892.db2.gz FDCVHHLUQZGUBF-CHWSQXEVSA-N 2 2 289.445 0.436 20 0 CCADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@@H](O)C[NH3+] ZINC000336815735 355190318 /nfs/dbraw/zinc/19/03/18/355190318.db2.gz IUDFSUGRJKQALW-AWEZNQCLSA-N 3 2 260.341 0.624 20 0 CCADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@@H](O)C[NH3+] ZINC000336815735 355190321 /nfs/dbraw/zinc/19/03/21/355190321.db2.gz IUDFSUGRJKQALW-AWEZNQCLSA-N 3 2 260.341 0.624 20 0 CCADLP C[C@]1(C2CC[NH+](CCn3cc[nH+]c3)CC2)NC(=O)NC1=O ZINC000336832767 355205708 /nfs/dbraw/zinc/20/57/08/355205708.db2.gz BATFWVSXGZJBHU-CQSZACIVSA-N 2 2 291.355 0.193 20 0 CCADLP Cn1cc([C@@H]2C[N@H+](CCc3cccnc3)C[C@H]2[NH3+])cn1 ZINC000424298793 235196000 /nfs/dbraw/zinc/19/60/00/235196000.db2.gz SIZPOTCLLADUDI-LSDHHAIUSA-N 2 2 271.368 0.784 20 0 CCADLP Cn1cc([C@@H]2C[N@@H+](CCc3cccnc3)C[C@H]2[NH3+])cn1 ZINC000424298793 235196003 /nfs/dbraw/zinc/19/60/03/235196003.db2.gz SIZPOTCLLADUDI-LSDHHAIUSA-N 2 2 271.368 0.784 20 0 CCADLP COCC[NH2+]Cc1nc(C2([NH3+])CCCCC2)no1 ZINC000424337987 235198319 /nfs/dbraw/zinc/19/83/19/235198319.db2.gz MHGXOKNJXNTHMD-UHFFFAOYSA-N 2 2 254.334 0.924 20 0 CCADLP C[C@H](O)C[N@H+](C)C1CC[NH+](CCN2CCOC[C@H]2C)CC1 ZINC000337147548 355273600 /nfs/dbraw/zinc/27/36/00/355273600.db2.gz ZHEJOXSIQMPKOE-CABCVRRESA-N 2 2 299.459 0.484 20 0 CCADLP C[C@H](O)C[N@@H+](C)C1CC[NH+](CCN2CCOC[C@H]2C)CC1 ZINC000337147548 355273602 /nfs/dbraw/zinc/27/36/02/355273602.db2.gz ZHEJOXSIQMPKOE-CABCVRRESA-N 2 2 299.459 0.484 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@]2(C)C[C@@H]2F)CC1 ZINC000424715434 235228065 /nfs/dbraw/zinc/22/80/65/235228065.db2.gz ZXBYMAKDBANKSE-GXTWGEPZSA-N 2 2 271.380 0.877 20 0 CCADLP CCN(CCC[NH+](C)C)C(=O)[C@@H]1COCC[N@@H+]1C ZINC000338896351 355447012 /nfs/dbraw/zinc/44/70/12/355447012.db2.gz YLAHHZQLLAVREH-LBPRGKRZSA-N 2 2 257.378 0.117 20 0 CCADLP CCN(CCC[NH+](C)C)C(=O)[C@@H]1COCC[N@H+]1C ZINC000338896351 355447014 /nfs/dbraw/zinc/44/70/14/355447014.db2.gz YLAHHZQLLAVREH-LBPRGKRZSA-N 2 2 257.378 0.117 20 0 CCADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC000346305702 283104919 /nfs/dbraw/zinc/10/49/19/283104919.db2.gz ZBPMQXVOWFIKRL-CZUORRHYSA-N 2 2 288.395 1.000 20 0 CCADLP C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC000346305702 283104920 /nfs/dbraw/zinc/10/49/20/283104920.db2.gz ZBPMQXVOWFIKRL-CZUORRHYSA-N 2 2 288.395 1.000 20 0 CCADLP CO[C@H]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000340255879 355538628 /nfs/dbraw/zinc/53/86/28/355538628.db2.gz RSHWBHZDSVDQDD-AWEZNQCLSA-N 2 2 298.431 0.443 20 0 CCADLP COCCN(C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340251131 355539217 /nfs/dbraw/zinc/53/92/17/355539217.db2.gz GSAYPQIDRSFSER-UHFFFAOYSA-N 2 2 286.420 0.300 20 0 CCADLP Cc1c[nH+]c(CNC[C@H](O)C[NH+]2CCCCC2)n1C ZINC000341120100 355610127 /nfs/dbraw/zinc/61/01/27/355610127.db2.gz HGQSLAVXRNFXQD-ZDUSSCGKSA-N 2 2 266.389 0.665 20 0 CCADLP CN1CC[C@H]([N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000116280320 283117401 /nfs/dbraw/zinc/11/74/01/283117401.db2.gz SYWGOHDBNKZRBY-KGLIPLIRSA-N 2 2 281.400 0.261 20 0 CCADLP CN1CC[C@H]([N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000116280320 283117402 /nfs/dbraw/zinc/11/74/02/283117402.db2.gz SYWGOHDBNKZRBY-KGLIPLIRSA-N 2 2 281.400 0.261 20 0 CCADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1c[nH+]cn1C ZINC000426484856 235338346 /nfs/dbraw/zinc/33/83/46/235338346.db2.gz UZVQTYGRTKZNQQ-QWRGUYRKSA-N 2 2 250.346 0.909 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)[C@H]1CC[NH2+]CC1(F)F ZINC000342758560 355739085 /nfs/dbraw/zinc/73/90/85/355739085.db2.gz ULZFUYFVGJDTGS-MRVPVSSYSA-N 2 2 258.272 0.313 20 0 CCADLP O=C(C[C@@H]1CCC[NH2+]CC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000427275070 235357579 /nfs/dbraw/zinc/35/75/79/235357579.db2.gz OMUMMQJEGVMIJG-CABCVRRESA-N 2 2 295.427 0.699 20 0 CCADLP C[N@@H+]1CC[C@H](NC(=O)C[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000335026075 283121679 /nfs/dbraw/zinc/12/16/79/283121679.db2.gz WAGJKMPFDDELRH-AAEUAGOBSA-N 2 2 269.295 0.785 20 0 CCADLP C[N@H+]1CC[C@H](NC(=O)C[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000335026075 283121680 /nfs/dbraw/zinc/12/16/80/283121680.db2.gz WAGJKMPFDDELRH-AAEUAGOBSA-N 2 2 269.295 0.785 20 0 CCADLP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC)C1 ZINC000342418514 355729466 /nfs/dbraw/zinc/72/94/66/355729466.db2.gz UFZSOCUJKAIUPG-GJZGRUSLSA-N 2 2 297.443 0.897 20 0 CCADLP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CC)C1 ZINC000342418514 355729470 /nfs/dbraw/zinc/72/94/70/355729470.db2.gz UFZSOCUJKAIUPG-GJZGRUSLSA-N 2 2 297.443 0.897 20 0 CCADLP NC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428031948 235391118 /nfs/dbraw/zinc/39/11/18/235391118.db2.gz IKWPZIMWZFKKIF-MJBXVCDLSA-N 2 2 259.353 0.897 20 0 CCADLP NC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428031948 235391121 /nfs/dbraw/zinc/39/11/21/235391121.db2.gz IKWPZIMWZFKKIF-MJBXVCDLSA-N 2 2 259.353 0.897 20 0 CCADLP C[C@H](C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)CS(C)(=O)=O ZINC000428033382 235391341 /nfs/dbraw/zinc/39/13/41/235391341.db2.gz MMBVGLORRJCWLQ-IJLUTSLNSA-N 2 2 260.403 0.351 20 0 CCADLP C[C@H](C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)CS(C)(=O)=O ZINC000428033382 235391343 /nfs/dbraw/zinc/39/13/43/235391343.db2.gz MMBVGLORRJCWLQ-IJLUTSLNSA-N 2 2 260.403 0.351 20 0 CCADLP CCN(CCC[NH+](CC)CC)C(=O)[C@@H]1COCC[N@@H+]1C ZINC000347821040 355883284 /nfs/dbraw/zinc/88/32/84/355883284.db2.gz ISDLRWYMEIZIAT-AWEZNQCLSA-N 2 2 285.432 0.897 20 0 CCADLP CCN(CCC[NH+](CC)CC)C(=O)[C@@H]1COCC[N@H+]1C ZINC000347821040 355883289 /nfs/dbraw/zinc/88/32/89/355883289.db2.gz ISDLRWYMEIZIAT-AWEZNQCLSA-N 2 2 285.432 0.897 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000348218626 355889473 /nfs/dbraw/zinc/88/94/73/355889473.db2.gz XWXLGOXKOCQTEZ-VXGBXAGGSA-N 2 2 277.372 0.846 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000348218626 355889478 /nfs/dbraw/zinc/88/94/78/355889478.db2.gz XWXLGOXKOCQTEZ-VXGBXAGGSA-N 2 2 277.372 0.846 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCOCC2(CC2)C1)C1CC1 ZINC000351612540 356004071 /nfs/dbraw/zinc/00/40/71/356004071.db2.gz WVBUUFUEHLWSKY-CYBMUJFWSA-N 2 2 254.374 0.554 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCOCC2(CC2)C1)C1CC1 ZINC000351612540 356004074 /nfs/dbraw/zinc/00/40/74/356004074.db2.gz WVBUUFUEHLWSKY-CYBMUJFWSA-N 2 2 254.374 0.554 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCOCC2(CC2)C1)C1CC1 ZINC000351612540 356004077 /nfs/dbraw/zinc/00/40/77/356004077.db2.gz WVBUUFUEHLWSKY-CYBMUJFWSA-N 2 2 254.374 0.554 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCOCC2(CC2)C1)C1CC1 ZINC000351612540 356004080 /nfs/dbraw/zinc/00/40/80/356004080.db2.gz WVBUUFUEHLWSKY-CYBMUJFWSA-N 2 2 254.374 0.554 20 0 CCADLP C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352703316 356059198 /nfs/dbraw/zinc/05/91/98/356059198.db2.gz BSVDTAWVEDQOJU-GXFFZTMASA-N 2 2 285.413 0.834 20 0 CCADLP CN(C)c1nccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)n1 ZINC000352718498 356062040 /nfs/dbraw/zinc/06/20/40/356062040.db2.gz KJRVTAXIDSCAEY-AWEZNQCLSA-N 2 2 290.415 0.022 20 0 CCADLP COCC[C@](C)(O)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000352901795 356107062 /nfs/dbraw/zinc/10/70/62/356107062.db2.gz LVCBNDSBMDDAKO-YUTCNCBUSA-N 2 2 256.390 0.846 20 0 CCADLP COCC[C@](C)(O)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000352901795 356107065 /nfs/dbraw/zinc/10/70/65/356107065.db2.gz LVCBNDSBMDDAKO-YUTCNCBUSA-N 2 2 256.390 0.846 20 0 CCADLP COC(=O)CN1CCC([NH2+][C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000356242214 291083823 /nfs/dbraw/zinc/08/38/23/291083823.db2.gz FJTGDVYNQDGTPQ-CYBMUJFWSA-N 2 2 285.432 0.942 20 0 CCADLP COC(=O)CN1CCC([NH2+][C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000356242214 291083828 /nfs/dbraw/zinc/08/38/28/291083828.db2.gz FJTGDVYNQDGTPQ-CYBMUJFWSA-N 2 2 285.432 0.942 20 0 CCADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1CC[NH2+]1 ZINC000353425782 356219192 /nfs/dbraw/zinc/21/91/92/356219192.db2.gz HUFZNBUIKZINMA-AWEZNQCLSA-N 2 2 270.336 0.910 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000353466664 356229323 /nfs/dbraw/zinc/22/93/23/356229323.db2.gz IMQYMCQMZRUXTK-KBXIAJHMSA-N 2 2 297.443 0.846 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000353465058 356229404 /nfs/dbraw/zinc/22/94/04/356229404.db2.gz ZFQRIKHXEWHAHH-AVGNSLFASA-N 2 2 269.389 0.211 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000360554033 138000402 /nfs/dbraw/zinc/00/04/02/138000402.db2.gz VMRIJFAFNSIRKL-ZBFHGGJFSA-N 3 2 294.443 0.224 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000360554033 138000403 /nfs/dbraw/zinc/00/04/03/138000403.db2.gz VMRIJFAFNSIRKL-ZBFHGGJFSA-N 3 2 294.443 0.224 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000353567369 356251088 /nfs/dbraw/zinc/25/10/88/356251088.db2.gz NNLFNVPZMTZQIN-RISCZKNCSA-N 2 2 279.388 0.233 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000353567369 356251091 /nfs/dbraw/zinc/25/10/91/356251091.db2.gz NNLFNVPZMTZQIN-RISCZKNCSA-N 2 2 279.388 0.233 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000353598073 356258041 /nfs/dbraw/zinc/25/80/41/356258041.db2.gz NGVKHAALPUBXPM-OAHLLOKOSA-N 3 2 296.459 0.645 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000353652305 356265470 /nfs/dbraw/zinc/26/54/70/356265470.db2.gz XYDHRMUPBSWVFL-OAHLLOKOSA-N 2 2 293.415 0.582 20 0 CCADLP C[C@@H]1CN(C(=O)C2CC[NH2+]CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000353701443 356276746 /nfs/dbraw/zinc/27/67/46/356276746.db2.gz MMILKXVLXPPQSL-OCCSQVGLSA-N 2 2 281.400 0.165 20 0 CCADLP CC[C@@H]1CN(C(=O)C2([NH3+])CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000353723313 356280506 /nfs/dbraw/zinc/28/05/06/356280506.db2.gz IMCULYYJVABMQX-NEPJUHHUSA-N 2 2 267.373 0.047 20 0 CCADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2c[nH]cn2)CC1 ZINC000361315186 138028988 /nfs/dbraw/zinc/02/89/88/138028988.db2.gz IZBAKPKWVZLBDQ-UHFFFAOYSA-N 2 2 280.372 0.069 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnnn2C)[C@@H](C)C1 ZINC000353751234 356286103 /nfs/dbraw/zinc/28/61/03/356286103.db2.gz JPNGUASEQRHMHG-AAEUAGOBSA-N 2 2 251.378 0.977 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnnn2C)[C@@H](C)C1 ZINC000353751234 356286106 /nfs/dbraw/zinc/28/61/06/356286106.db2.gz JPNGUASEQRHMHG-AAEUAGOBSA-N 2 2 251.378 0.977 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnnn2C)[C@@H](C)C1 ZINC000353751234 356286112 /nfs/dbraw/zinc/28/61/12/356286112.db2.gz JPNGUASEQRHMHG-AAEUAGOBSA-N 2 2 251.378 0.977 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnnn2C)[C@@H](C)C1 ZINC000353751234 356286115 /nfs/dbraw/zinc/28/61/15/356286115.db2.gz JPNGUASEQRHMHG-AAEUAGOBSA-N 2 2 251.378 0.977 20 0 CCADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)CCc1[nH]cc[nH+]1 ZINC000353759281 356288373 /nfs/dbraw/zinc/28/83/73/356288373.db2.gz MQQRDYAFCYMMAM-GFCCVEGCSA-N 2 2 280.372 0.569 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H](O)C(F)F)CC1 ZINC000360956683 138017253 /nfs/dbraw/zinc/01/72/53/138017253.db2.gz VXZXJTSQUHPNFQ-LLVKDONJSA-N 2 2 294.342 0.620 20 0 CCADLP C[C@@H](C(=O)NCCCC[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000353814103 356299490 /nfs/dbraw/zinc/29/94/90/356299490.db2.gz KLUPCXYNSPPOTM-ZDUSSCGKSA-N 2 2 270.421 0.080 20 0 CCADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccnc(N(C)C)n1 ZINC000361046000 138019776 /nfs/dbraw/zinc/01/97/76/138019776.db2.gz NEWUMGWGJIRXTL-ZDUSSCGKSA-N 2 2 293.415 0.743 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000361108281 138021532 /nfs/dbraw/zinc/02/15/32/138021532.db2.gz JZAUZIOZZBXRPU-KGLIPLIRSA-N 3 2 282.432 0.080 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000361108281 138021533 /nfs/dbraw/zinc/02/15/33/138021533.db2.gz JZAUZIOZZBXRPU-KGLIPLIRSA-N 3 2 282.432 0.080 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNc2cc[nH+]c(N3CCCCC3)n2)C1 ZINC000354076654 356343369 /nfs/dbraw/zinc/34/33/69/356343369.db2.gz UNVQSBHWRFMVPP-ZDUSSCGKSA-N 2 2 291.399 0.631 20 0 CCADLP C[N@H+]1CCO[C@@H](CNc2cc[nH+]c(N3CCCCC3)n2)C1 ZINC000354076654 356343373 /nfs/dbraw/zinc/34/33/73/356343373.db2.gz UNVQSBHWRFMVPP-ZDUSSCGKSA-N 2 2 291.399 0.631 20 0 CCADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3cncnc3)CC2)C1 ZINC000362376650 138056710 /nfs/dbraw/zinc/05/67/10/138056710.db2.gz QCCRCXKTMMYPDW-OAHLLOKOSA-N 2 2 275.400 0.688 20 0 CCADLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3cncnc3)CC2)C1 ZINC000362376650 138056711 /nfs/dbraw/zinc/05/67/11/138056711.db2.gz QCCRCXKTMMYPDW-OAHLLOKOSA-N 2 2 275.400 0.688 20 0 CCADLP CC(C)OCC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362824548 138076340 /nfs/dbraw/zinc/07/63/40/138076340.db2.gz AQZBKSQHFHUDEK-CYBMUJFWSA-N 2 2 269.389 0.308 20 0 CCADLP CC(C)OCC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362824548 138076341 /nfs/dbraw/zinc/07/63/41/138076341.db2.gz AQZBKSQHFHUDEK-CYBMUJFWSA-N 2 2 269.389 0.308 20 0 CCADLP CN(CC[NH+](C)C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000354500727 356426679 /nfs/dbraw/zinc/42/66/79/356426679.db2.gz SKCLBFFAYDTTPG-AWEZNQCLSA-N 2 2 283.416 0.650 20 0 CCADLP CN(CC[NH+](C)C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000354500727 356426684 /nfs/dbraw/zinc/42/66/84/356426684.db2.gz SKCLBFFAYDTTPG-AWEZNQCLSA-N 2 2 283.416 0.650 20 0 CCADLP Cc1cnc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cn1 ZINC000362662083 138068436 /nfs/dbraw/zinc/06/84/36/138068436.db2.gz HHJZIIYCLYISDK-AWEZNQCLSA-N 2 2 289.383 0.181 20 0 CCADLP Cc1cnc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cn1 ZINC000362662083 138068437 /nfs/dbraw/zinc/06/84/37/138068437.db2.gz HHJZIIYCLYISDK-AWEZNQCLSA-N 2 2 289.383 0.181 20 0 CCADLP Cc1csc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)n1 ZINC000362676231 138069165 /nfs/dbraw/zinc/06/91/65/138069165.db2.gz UTHFZQUSMPKUKH-GFCCVEGCSA-N 2 2 294.424 0.848 20 0 CCADLP Cc1csc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)n1 ZINC000362676231 138069166 /nfs/dbraw/zinc/06/91/66/138069166.db2.gz UTHFZQUSMPKUKH-GFCCVEGCSA-N 2 2 294.424 0.848 20 0 CCADLP CCOCCNC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000363611916 138092259 /nfs/dbraw/zinc/09/22/59/138092259.db2.gz AXHBDHABKHMUOR-UHFFFAOYSA-N 2 2 280.372 0.742 20 0 CCADLP CCOC[C@@H](O)C[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000354856782 356515223 /nfs/dbraw/zinc/51/52/23/356515223.db2.gz VIALNUPFVCORDG-ZFWWWQNUSA-N 2 2 286.416 0.569 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000333819692 295925559 /nfs/dbraw/zinc/92/55/59/295925559.db2.gz KRUBYRLZBGZQRX-HZSPNIEDSA-N 2 2 298.431 0.347 20 0 CCADLP NC(=O)NC(=O)CCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609258495 363480444 /nfs/dbraw/zinc/48/04/44/363480444.db2.gz ZVPUUYRUBHVFAK-NSHDSACASA-N 2 2 279.344 0.495 20 0 CCADLP NC(=O)NC(=O)CCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609258495 363480452 /nfs/dbraw/zinc/48/04/52/363480452.db2.gz ZVPUUYRUBHVFAK-NSHDSACASA-N 2 2 279.344 0.495 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H](C)CO1 ZINC000355258205 356621317 /nfs/dbraw/zinc/62/13/17/356621317.db2.gz WIICCKPKEALYOI-STQMWFEESA-N 2 2 295.427 0.839 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H](C)CO1 ZINC000355258205 356621320 /nfs/dbraw/zinc/62/13/20/356621320.db2.gz WIICCKPKEALYOI-STQMWFEESA-N 2 2 295.427 0.839 20 0 CCADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000356202059 356722832 /nfs/dbraw/zinc/72/28/32/356722832.db2.gz SGHCIAOYEKPPRM-CYBMUJFWSA-N 2 2 285.432 0.944 20 0 CCADLP CC[NH+](CC)CC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000619889874 366370465 /nfs/dbraw/zinc/37/04/65/366370465.db2.gz KUACFHFSNSSPID-UHFFFAOYSA-N 2 2 297.443 0.899 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000356354379 356751466 /nfs/dbraw/zinc/75/14/66/356751466.db2.gz LCDIIPRDHGCGFU-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000356354379 356751468 /nfs/dbraw/zinc/75/14/68/356751468.db2.gz LCDIIPRDHGCGFU-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP Cn1cc(N2CC[C@H]([N@@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)C2=O)cn1 ZINC000357078764 356768673 /nfs/dbraw/zinc/76/86/73/356768673.db2.gz LZHCLCOMIVJGIS-OBJOEFQTSA-N 2 2 289.383 0.067 20 0 CCADLP Cn1cc(N2CC[C@H]([N@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)C2=O)cn1 ZINC000357078764 356768678 /nfs/dbraw/zinc/76/86/78/356768678.db2.gz LZHCLCOMIVJGIS-OBJOEFQTSA-N 2 2 289.383 0.067 20 0 CCADLP C[C@H](C(=O)NCCc1cccs1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359275092 356791374 /nfs/dbraw/zinc/79/13/74/356791374.db2.gz BUHIRVNGMJAVCY-AGIUHOORSA-N 2 2 293.436 0.947 20 0 CCADLP Cc1cccc(CNC(=O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000359282638 356792977 /nfs/dbraw/zinc/79/29/77/356792977.db2.gz SRXSVTQVJZYOGN-HUUCEWRRSA-N 2 2 273.380 0.762 20 0 CCADLP CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000359380171 356811674 /nfs/dbraw/zinc/81/16/74/356811674.db2.gz ADQVOIVVPAYUMM-LLVKDONJSA-N 2 2 280.372 0.950 20 0 CCADLP CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000359380171 356811677 /nfs/dbraw/zinc/81/16/77/356811677.db2.gz ADQVOIVVPAYUMM-LLVKDONJSA-N 2 2 280.372 0.950 20 0 CCADLP CCOC(=O)c1c[nH+]ccc1N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000359556153 356842639 /nfs/dbraw/zinc/84/26/39/356842639.db2.gz CNEVAOQHCFAIIM-ZIAGYGMSSA-N 2 2 291.351 0.778 20 0 CCADLP CCOC(=O)c1c[nH+]ccc1N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000359556153 356842641 /nfs/dbraw/zinc/84/26/41/356842641.db2.gz CNEVAOQHCFAIIM-ZIAGYGMSSA-N 2 2 291.351 0.778 20 0 CCADLP COC(=O)[C@H](C1CC1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000359592245 356853689 /nfs/dbraw/zinc/85/36/89/356853689.db2.gz XSVXNSPKTLKUES-AWEZNQCLSA-N 2 2 283.416 0.507 20 0 CCADLP COC(=O)[C@H](C1CC1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000359592245 356853691 /nfs/dbraw/zinc/85/36/91/356853691.db2.gz XSVXNSPKTLKUES-AWEZNQCLSA-N 2 2 283.416 0.507 20 0 CCADLP O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(F)(F)F ZINC000655698883 412647327 /nfs/dbraw/zinc/64/73/27/412647327.db2.gz YSVOPEHVPGGTIM-WDEREUQCSA-N 2 2 282.306 0.753 20 0 CCADLP Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[nH]n1 ZINC000364206997 357096040 /nfs/dbraw/zinc/09/60/40/357096040.db2.gz MTOKWINKOBELJQ-GFCCVEGCSA-N 2 2 291.399 0.616 20 0 CCADLP Cc1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[nH]n1 ZINC000364206997 357096044 /nfs/dbraw/zinc/09/60/44/357096044.db2.gz MTOKWINKOBELJQ-GFCCVEGCSA-N 2 2 291.399 0.616 20 0 CCADLP C[C@H](CNC(=O)C[C@@H]1CCC[NH2+]CC1)[NH+]1CCN(C)CC1 ZINC000364220311 357098867 /nfs/dbraw/zinc/09/88/67/357098867.db2.gz LWUAESZEOFIHPQ-HUUCEWRRSA-N 2 2 296.459 0.518 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365401675 357150095 /nfs/dbraw/zinc/15/00/95/357150095.db2.gz GGSKUDCWWSKAQB-GHMZBOCLSA-N 2 2 270.377 0.247 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365401675 357150096 /nfs/dbraw/zinc/15/00/96/357150096.db2.gz GGSKUDCWWSKAQB-GHMZBOCLSA-N 2 2 270.377 0.247 20 0 CCADLP CN1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCC1=O ZINC000655723932 412652308 /nfs/dbraw/zinc/65/23/08/412652308.db2.gz JNPGHVZBPMQIJJ-KGLIPLIRSA-N 2 2 281.400 0.450 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000367849920 357284806 /nfs/dbraw/zinc/28/48/06/357284806.db2.gz NTZUUSIUHBJTEO-MRXNPFEDSA-N 2 2 297.443 0.947 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000367849920 357284808 /nfs/dbraw/zinc/28/48/08/357284808.db2.gz NTZUUSIUHBJTEO-MRXNPFEDSA-N 2 2 297.443 0.947 20 0 CCADLP CCCCOCCNC(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000367849920 357284810 /nfs/dbraw/zinc/28/48/10/357284810.db2.gz NTZUUSIUHBJTEO-MRXNPFEDSA-N 2 2 297.443 0.947 20 0 CCADLP CCCCOCCNC(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000367849920 357284812 /nfs/dbraw/zinc/28/48/12/357284812.db2.gz NTZUUSIUHBJTEO-MRXNPFEDSA-N 2 2 297.443 0.947 20 0 CCADLP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)NCC3CCC3)C2)C1 ZINC000367849377 357284818 /nfs/dbraw/zinc/28/48/18/357284818.db2.gz XTIHRRXVGWJQDX-HNNXBMFYSA-N 2 2 265.401 0.930 20 0 CCADLP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)NCC3CCC3)C2)C1 ZINC000367849377 357284819 /nfs/dbraw/zinc/28/48/19/357284819.db2.gz XTIHRRXVGWJQDX-HNNXBMFYSA-N 2 2 265.401 0.930 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)NCC3CCC3)C2)C1 ZINC000367849377 357284821 /nfs/dbraw/zinc/28/48/21/357284821.db2.gz XTIHRRXVGWJQDX-HNNXBMFYSA-N 2 2 265.401 0.930 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)NCC3CCC3)C2)C1 ZINC000367849377 357284823 /nfs/dbraw/zinc/28/48/23/357284823.db2.gz XTIHRRXVGWJQDX-HNNXBMFYSA-N 2 2 265.401 0.930 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000619903150 366383346 /nfs/dbraw/zinc/38/33/46/366383346.db2.gz WWLKGIBJLQGALG-LLVKDONJSA-N 2 2 250.346 0.861 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000619903150 366383350 /nfs/dbraw/zinc/38/33/50/366383350.db2.gz WWLKGIBJLQGALG-LLVKDONJSA-N 2 2 250.346 0.861 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655754778 412653974 /nfs/dbraw/zinc/65/39/74/412653974.db2.gz HHHSCNJBRXHEKU-CVEARBPZSA-N 3 2 297.443 0.286 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655754778 412653976 /nfs/dbraw/zinc/65/39/76/412653976.db2.gz HHHSCNJBRXHEKU-CVEARBPZSA-N 3 2 297.443 0.286 20 0 CCADLP OC[C@@H](CC1CC1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655737762 412654332 /nfs/dbraw/zinc/65/43/32/412654332.db2.gz PPDVMCCDSVFQPH-CABCVRRESA-N 2 2 268.401 0.990 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cc3n(n2)CCCC3)C1 ZINC000655760426 412655543 /nfs/dbraw/zinc/65/55/43/412655543.db2.gz PZZYIYLIDJUCEV-AWEZNQCLSA-N 2 2 264.373 0.376 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cc3n(n2)CCCC3)C1 ZINC000655760426 412655546 /nfs/dbraw/zinc/65/55/46/412655546.db2.gz PZZYIYLIDJUCEV-AWEZNQCLSA-N 2 2 264.373 0.376 20 0 CCADLP O=C1NCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000377386626 357569273 /nfs/dbraw/zinc/56/92/73/357569273.db2.gz PJVKABIAEGZXNA-HNNXBMFYSA-N 2 2 288.395 0.914 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC[C@@H]3[NH3+])C2)CC1 ZINC000377197773 357550945 /nfs/dbraw/zinc/55/09/45/357550945.db2.gz NALPMCRNLBZSBA-CFVMTHIKSA-N 3 2 294.443 0.399 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CCC[C@@H]3[NH3+])C2)CC1 ZINC000377197773 357550951 /nfs/dbraw/zinc/55/09/51/357550951.db2.gz NALPMCRNLBZSBA-CFVMTHIKSA-N 3 2 294.443 0.399 20 0 CCADLP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)NC ZINC000655775266 412657675 /nfs/dbraw/zinc/65/76/75/412657675.db2.gz VBXYDOIISNPSCS-KGLIPLIRSA-N 2 2 283.416 0.744 20 0 CCADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000377589596 357592081 /nfs/dbraw/zinc/59/20/81/357592081.db2.gz SUQMEPGLSPZEGR-CHWSQXEVSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000377589596 357592087 /nfs/dbraw/zinc/59/20/87/357592087.db2.gz SUQMEPGLSPZEGR-CHWSQXEVSA-N 2 2 283.416 0.602 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC000631773656 370663985 /nfs/dbraw/zinc/66/39/85/370663985.db2.gz PDQZJPBTUJWROC-SOUVJXGZSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@H](C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC000449199740 236021961 /nfs/dbraw/zinc/02/19/61/236021961.db2.gz FYEUCDHAFFIQQL-QLFBSQMISA-N 2 2 295.427 0.555 20 0 CCADLP Cn1cc(C[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cn1 ZINC000378356516 357674927 /nfs/dbraw/zinc/67/49/27/357674927.db2.gz PBXQADBYODDHCO-CQSZACIVSA-N 2 2 291.399 0.334 20 0 CCADLP Cn1cc(C[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cn1 ZINC000378356516 357674931 /nfs/dbraw/zinc/67/49/31/357674931.db2.gz PBXQADBYODDHCO-CQSZACIVSA-N 2 2 291.399 0.334 20 0 CCADLP C[NH+](C)[C@H]1CCCN(C(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000378370147 357675772 /nfs/dbraw/zinc/67/57/72/357675772.db2.gz MWRJJXSMTNBCEI-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1CCO ZINC000382262826 357712021 /nfs/dbraw/zinc/71/20/21/357712021.db2.gz AHKBKRWLUYQEKE-ZIAGYGMSSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1CCO ZINC000382262826 357712026 /nfs/dbraw/zinc/71/20/26/357712026.db2.gz AHKBKRWLUYQEKE-ZIAGYGMSSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1CCO ZINC000382262826 357712028 /nfs/dbraw/zinc/71/20/28/357712028.db2.gz AHKBKRWLUYQEKE-ZIAGYGMSSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@@H]1CCO ZINC000382262826 357712031 /nfs/dbraw/zinc/71/20/31/357712031.db2.gz AHKBKRWLUYQEKE-ZIAGYGMSSA-N 2 2 274.405 0.162 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC[N@H+]1C ZINC000631773656 370663992 /nfs/dbraw/zinc/66/39/92/370663992.db2.gz PDQZJPBTUJWROC-SOUVJXGZSA-N 2 2 295.427 0.650 20 0 CCADLP CC[C@@H](C)[C@@H](NC(=O)C[N@H+](C)C1CC([NH3+])C1)C(=O)OC ZINC000384709631 357721418 /nfs/dbraw/zinc/72/14/18/357721418.db2.gz DCSBDLKLAOGUIX-ZUYNKMSQSA-N 2 2 285.388 0.112 20 0 CCADLP CC[C@@H](C)[C@@H](NC(=O)C[N@@H+](C)C1CC([NH3+])C1)C(=O)OC ZINC000384709631 357721420 /nfs/dbraw/zinc/72/14/20/357721420.db2.gz DCSBDLKLAOGUIX-ZUYNKMSQSA-N 2 2 285.388 0.112 20 0 CCADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000389274364 357736121 /nfs/dbraw/zinc/73/61/21/357736121.db2.gz RWEOWNMHWADELM-YPMHNXCESA-N 2 2 297.359 0.226 20 0 CCADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000389274364 357736122 /nfs/dbraw/zinc/73/61/22/357736122.db2.gz RWEOWNMHWADELM-YPMHNXCESA-N 2 2 297.359 0.226 20 0 CCADLP CNC(=O)CC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129578497 283305592 /nfs/dbraw/zinc/30/55/92/283305592.db2.gz JRHKJHMBXSDMJF-RYUDHWBXSA-N 2 2 250.346 0.902 20 0 CCADLP CNC(=O)CC[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129578497 283305595 /nfs/dbraw/zinc/30/55/95/283305595.db2.gz JRHKJHMBXSDMJF-RYUDHWBXSA-N 2 2 250.346 0.902 20 0 CCADLP C[C@@H](C(=O)NCc1c[nH+]c(N(C)C)n1C)[NH+]1CC(C)C1 ZINC000561245113 291123295 /nfs/dbraw/zinc/12/32/95/291123295.db2.gz JWVMAJANXRFAOK-NSHDSACASA-N 2 2 279.388 0.443 20 0 CCADLP CO[C@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C12CCC2 ZINC000453089680 236273213 /nfs/dbraw/zinc/27/32/13/236273213.db2.gz RSRXSRDZNLBCTH-OLZOCXBDSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)nc[nH+]1 ZINC000294594508 199099890 /nfs/dbraw/zinc/09/98/90/199099890.db2.gz ZMEYRWBBWABGEM-AVGNSLFASA-N 2 2 291.399 0.800 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)nc[nH+]1 ZINC000294594508 199099892 /nfs/dbraw/zinc/09/98/92/199099892.db2.gz ZMEYRWBBWABGEM-AVGNSLFASA-N 2 2 291.399 0.800 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000455035141 236320748 /nfs/dbraw/zinc/32/07/48/236320748.db2.gz OLNXBOJGJDLFCK-ZDUSSCGKSA-N 2 2 292.383 0.780 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000455035141 236320751 /nfs/dbraw/zinc/32/07/51/236320751.db2.gz OLNXBOJGJDLFCK-ZDUSSCGKSA-N 2 2 292.383 0.780 20 0 CCADLP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](CC(=O)OC)C1)[NH+](C)C ZINC000412368071 358118184 /nfs/dbraw/zinc/11/81/84/358118184.db2.gz MSNUQEDBCHEJSK-OLZOCXBDSA-N 2 2 299.415 0.328 20 0 CCADLP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CC(=O)OC)C1)[NH+](C)C ZINC000412368071 358118188 /nfs/dbraw/zinc/11/81/88/358118188.db2.gz MSNUQEDBCHEJSK-OLZOCXBDSA-N 2 2 299.415 0.328 20 0 CCADLP NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CCCn1cc[nH+]c1 ZINC000372753070 283338481 /nfs/dbraw/zinc/33/84/81/283338481.db2.gz UNRVXYWQLVSOBX-AGIUHOORSA-N 2 2 262.357 0.859 20 0 CCADLP NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CCCn1cc[nH+]c1 ZINC000372753070 283338482 /nfs/dbraw/zinc/33/84/82/283338482.db2.gz UNRVXYWQLVSOBX-AGIUHOORSA-N 2 2 262.357 0.859 20 0 CCADLP C[C@H](C[NH3+])CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000418489459 358157664 /nfs/dbraw/zinc/15/76/64/358157664.db2.gz LRWXJINSXVPVKD-CHWSQXEVSA-N 2 2 284.404 0.087 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000418217009 358148675 /nfs/dbraw/zinc/14/86/75/358148675.db2.gz OXASTQGRJSSTMG-DGCLKSJQSA-N 2 2 284.404 0.004 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000418217009 358148681 /nfs/dbraw/zinc/14/86/81/358148681.db2.gz OXASTQGRJSSTMG-DGCLKSJQSA-N 2 2 284.404 0.004 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418404118 358156138 /nfs/dbraw/zinc/15/61/38/358156138.db2.gz JBVWCMDFYCBHNF-ZIAGYGMSSA-N 2 2 298.431 0.478 20 0 CCADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420303160 358179539 /nfs/dbraw/zinc/17/95/39/358179539.db2.gz HFVHHSMWVCQELL-OAHLLOKOSA-N 3 2 296.459 0.615 20 0 CCADLP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420303160 358179540 /nfs/dbraw/zinc/17/95/40/358179540.db2.gz HFVHHSMWVCQELL-OAHLLOKOSA-N 3 2 296.459 0.615 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NCc2cccnc2)C[C@H]1C[NH3+] ZINC000420414653 358181548 /nfs/dbraw/zinc/18/15/48/358181548.db2.gz UOWDJVPRUWISCR-TZMCWYRMSA-N 2 2 276.384 0.615 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NCc2cccnc2)C[C@H]1C[NH3+] ZINC000420414653 358181553 /nfs/dbraw/zinc/18/15/53/358181553.db2.gz UOWDJVPRUWISCR-TZMCWYRMSA-N 2 2 276.384 0.615 20 0 CCADLP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)CC[NH2+]CC1 ZINC000422905443 358194757 /nfs/dbraw/zinc/19/47/57/358194757.db2.gz SCFWVMNBVFYEAW-KGLIPLIRSA-N 3 2 297.443 0.992 20 0 CCADLP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)CC[NH2+]CC1 ZINC000422905443 358194758 /nfs/dbraw/zinc/19/47/58/358194758.db2.gz SCFWVMNBVFYEAW-KGLIPLIRSA-N 3 2 297.443 0.992 20 0 CCADLP c1ccc(NCC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)nc1 ZINC000423009178 358195912 /nfs/dbraw/zinc/19/59/12/358195912.db2.gz VCRCVUSVJJMIML-HIFRSBDPSA-N 2 2 276.384 0.850 20 0 CCADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000423242879 358198141 /nfs/dbraw/zinc/19/81/41/358198141.db2.gz WAHOGUZDNIGWGF-WCQYABFASA-N 2 2 297.424 0.997 20 0 CCADLP c1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)CO2 ZINC000423541797 358201534 /nfs/dbraw/zinc/20/15/34/358201534.db2.gz AXJSKRKLJKPHHZ-ZIAGYGMSSA-N 2 2 262.353 0.958 20 0 CCADLP C[C@@H](C(=O)NCC[C@@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000458173837 358277204 /nfs/dbraw/zinc/27/72/04/358277204.db2.gz RWZWVXSGKMOJLS-KBPBESRZSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H](C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000458173837 358277205 /nfs/dbraw/zinc/27/72/05/358277205.db2.gz RWZWVXSGKMOJLS-KBPBESRZSA-N 2 2 283.416 0.555 20 0 CCADLP Cn1cncc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000329268644 202258645 /nfs/dbraw/zinc/25/86/45/202258645.db2.gz IDARUJJWCHOGDD-GJZGRUSLSA-N 2 2 278.400 0.888 20 0 CCADLP C[C@@H](C[NH2+][C@@H]1CCC(=O)NC1(C)C)C[NH+]1CCOCC1 ZINC000562364928 291146860 /nfs/dbraw/zinc/14/68/60/291146860.db2.gz LCAOGWGEDQKICZ-QWHCGFSZSA-N 2 2 283.416 0.602 20 0 CCADLP O=C1O[C@]2(CN1C[N@@H+]1CCCOCC1)C[NH+]1CCC2CC1 ZINC000496443040 358323897 /nfs/dbraw/zinc/32/38/97/358323897.db2.gz ZXWXDKAAICWVMO-HNNXBMFYSA-N 2 2 295.383 0.583 20 0 CCADLP O=C1O[C@]2(CN1C[N@H+]1CCCOCC1)C[NH+]1CCC2CC1 ZINC000496443040 358323903 /nfs/dbraw/zinc/32/39/03/358323903.db2.gz ZXWXDKAAICWVMO-HNNXBMFYSA-N 2 2 295.383 0.583 20 0 CCADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](C/C=C\Cl)CC1 ZINC000530221507 358380660 /nfs/dbraw/zinc/38/06/60/358380660.db2.gz FIHXHAZJCIKQHY-UPHRSURJSA-N 2 2 272.780 0.382 20 0 CCADLP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530219038 358380678 /nfs/dbraw/zinc/38/06/78/358380678.db2.gz YTJNWPGQNUDEER-RVMXOQNASA-N 3 2 253.390 0.613 20 0 CCADLP CC[C@@H](C(=O)NCC[N@@H+]1CCO[C@@H](C)C1)[NH+](CC)CC ZINC000531056543 358438302 /nfs/dbraw/zinc/43/83/02/358438302.db2.gz QIMOHVCCPRLHEO-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP CC[C@@H](C(=O)NCC[N@H+]1CCO[C@@H](C)C1)[NH+](CC)CC ZINC000531056543 358438307 /nfs/dbraw/zinc/43/83/07/358438307.db2.gz QIMOHVCCPRLHEO-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@H]2CSC2(C)C)C[C@@H](C)O1 ZINC000567707948 358574434 /nfs/dbraw/zinc/57/44/34/358574434.db2.gz GDNUPPUBERMACF-LPWJVIDDSA-N 2 2 288.457 0.940 20 0 CCADLP C[N@@H+]1CCN(Cc2cccc3c2OCCCO3)[C@@H](C[NH3+])C1 ZINC000567734659 358579144 /nfs/dbraw/zinc/57/91/44/358579144.db2.gz SJOGAMCOKHLGGE-AWEZNQCLSA-N 2 2 291.395 0.923 20 0 CCADLP C[N@H+]1CCN(Cc2cccc3c2OCCCO3)[C@@H](C[NH3+])C1 ZINC000567734659 358579147 /nfs/dbraw/zinc/57/91/47/358579147.db2.gz SJOGAMCOKHLGGE-AWEZNQCLSA-N 2 2 291.395 0.923 20 0 CCADLP CCn1ncnc1C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000567736148 358580322 /nfs/dbraw/zinc/58/03/22/358580322.db2.gz MANVUDRUULPDKI-LBPRGKRZSA-N 2 2 294.403 0.118 20 0 CCADLP CCn1ncnc1C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000567736148 358580325 /nfs/dbraw/zinc/58/03/25/358580325.db2.gz MANVUDRUULPDKI-LBPRGKRZSA-N 2 2 294.403 0.118 20 0 CCADLP CC(C)(CNC(=O)NCC[NH+]1CCC1)[NH+]1CCOCC1 ZINC000533112510 358527192 /nfs/dbraw/zinc/52/71/92/358527192.db2.gz SYAZWWLENZPCMW-UHFFFAOYSA-N 2 2 284.404 0.102 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000562496608 291155756 /nfs/dbraw/zinc/15/57/56/291155756.db2.gz UVNWVRYOSUXDKZ-CMPLNLGQSA-N 2 2 262.357 0.941 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000562496608 291155757 /nfs/dbraw/zinc/15/57/57/291155757.db2.gz UVNWVRYOSUXDKZ-CMPLNLGQSA-N 2 2 262.357 0.941 20 0 CCADLP C[C@@H](CNC(=O)COC1CCC([NH3+])CC1)Cn1cc[nH+]c1 ZINC000567972633 358619941 /nfs/dbraw/zinc/61/99/41/358619941.db2.gz CEBFURUBLMORBP-HSBZDZAISA-N 2 2 294.399 0.922 20 0 CCADLP C[C@@H](CC(=O)N[C@@H]1C[NH2+]CCC1(F)F)n1cc[nH+]c1 ZINC000568151590 358636542 /nfs/dbraw/zinc/63/65/42/358636542.db2.gz FVUVQDXJUNKGLL-VHSXEESVSA-N 2 2 272.299 0.948 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCc2occc2C1 ZINC000568176751 358641428 /nfs/dbraw/zinc/64/14/28/358641428.db2.gz DKDCYVWAOREWGV-AWEZNQCLSA-N 2 2 282.384 0.967 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCc2occc2C1 ZINC000568176751 358641430 /nfs/dbraw/zinc/64/14/30/358641430.db2.gz DKDCYVWAOREWGV-AWEZNQCLSA-N 2 2 282.384 0.967 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCc2occc2C1 ZINC000568176751 358641438 /nfs/dbraw/zinc/64/14/38/358641438.db2.gz DKDCYVWAOREWGV-AWEZNQCLSA-N 2 2 282.384 0.967 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)COC1CCC([NH3+])CC1 ZINC000567801909 358588149 /nfs/dbraw/zinc/58/81/49/358588149.db2.gz AJYIALKVBXSMTP-HSBZDZAISA-N 2 2 299.415 0.110 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)COC1CCC([NH3+])CC1 ZINC000567801909 358588155 /nfs/dbraw/zinc/58/81/55/358588155.db2.gz AJYIALKVBXSMTP-HSBZDZAISA-N 2 2 299.415 0.110 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCc2occc2C1 ZINC000568176752 358641895 /nfs/dbraw/zinc/64/18/95/358641895.db2.gz DKDCYVWAOREWGV-CQSZACIVSA-N 2 2 282.384 0.967 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCc2occc2C1 ZINC000568176752 358641898 /nfs/dbraw/zinc/64/18/98/358641898.db2.gz DKDCYVWAOREWGV-CQSZACIVSA-N 2 2 282.384 0.967 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCc2occc2C1 ZINC000568176752 358641903 /nfs/dbraw/zinc/64/19/03/358641903.db2.gz DKDCYVWAOREWGV-CQSZACIVSA-N 2 2 282.384 0.967 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)[C@H](C[NH3+])C1 ZINC000568372737 358667574 /nfs/dbraw/zinc/66/75/74/358667574.db2.gz NAOAXXGREAQFIG-WYUUTHIRSA-N 2 2 252.362 0.069 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@H]2[C@@H]3CCC[C@@H]32)[C@H](C[NH3+])C1 ZINC000568372737 358667578 /nfs/dbraw/zinc/66/75/78/358667578.db2.gz NAOAXXGREAQFIG-WYUUTHIRSA-N 2 2 252.362 0.069 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1([NH+](C)C)CC1 ZINC000568413987 358674378 /nfs/dbraw/zinc/67/43/78/358674378.db2.gz XHHWUPBFRVEYTP-SNVBAGLBSA-N 2 2 250.346 0.799 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1([NH+](C)C)CC1 ZINC000568413987 358674381 /nfs/dbraw/zinc/67/43/81/358674381.db2.gz XHHWUPBFRVEYTP-SNVBAGLBSA-N 2 2 250.346 0.799 20 0 CCADLP Cc1noc([C@H](C)[N@H+](C)CCC(=O)N2CC[NH2+]CC2)n1 ZINC000569378191 358760470 /nfs/dbraw/zinc/76/04/70/358760470.db2.gz JRXVKMASSNZXIN-JTQLQIEISA-N 2 2 281.360 0.193 20 0 CCADLP Cc1noc([C@H](C)[N@@H+](C)CCC(=O)N2CC[NH2+]CC2)n1 ZINC000569378191 358760473 /nfs/dbraw/zinc/76/04/73/358760473.db2.gz JRXVKMASSNZXIN-JTQLQIEISA-N 2 2 281.360 0.193 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@H]2CCC[NH2+]C2)CCO1 ZINC000568975894 358720998 /nfs/dbraw/zinc/72/09/98/358720998.db2.gz UYWATNDCXLWNCK-UONOGXRCSA-N 2 2 298.431 0.396 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@H]2CCC[NH2+]C2)CCO1 ZINC000568975894 358721002 /nfs/dbraw/zinc/72/10/02/358721002.db2.gz UYWATNDCXLWNCK-UONOGXRCSA-N 2 2 298.431 0.396 20 0 CCADLP CNC(=O)CCC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000569495594 358769210 /nfs/dbraw/zinc/76/92/10/358769210.db2.gz HLNHLCPLQXXLKV-AWEZNQCLSA-N 2 2 283.416 0.557 20 0 CCADLP CNC(=O)CCC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000569495594 358769213 /nfs/dbraw/zinc/76/92/13/358769213.db2.gz HLNHLCPLQXXLKV-AWEZNQCLSA-N 2 2 283.416 0.557 20 0 CCADLP COc1coc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1=O ZINC000569984729 358811859 /nfs/dbraw/zinc/81/18/59/358811859.db2.gz ACGILQMRQYYSFC-UWVGGRQHSA-N 2 2 252.314 0.960 20 0 CCADLP COc1coc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1=O ZINC000569984729 358811862 /nfs/dbraw/zinc/81/18/62/358811862.db2.gz ACGILQMRQYYSFC-UWVGGRQHSA-N 2 2 252.314 0.960 20 0 CCADLP CCOC[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000569588614 358776258 /nfs/dbraw/zinc/77/62/58/358776258.db2.gz PUHMAGZZPKYKSB-LSDHHAIUSA-N 2 2 288.432 0.674 20 0 CCADLP CCOC[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000569588614 358776263 /nfs/dbraw/zinc/77/62/63/358776263.db2.gz PUHMAGZZPKYKSB-LSDHHAIUSA-N 2 2 288.432 0.674 20 0 CCADLP CCOC[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000569588614 358776268 /nfs/dbraw/zinc/77/62/68/358776268.db2.gz PUHMAGZZPKYKSB-LSDHHAIUSA-N 2 2 288.432 0.674 20 0 CCADLP CCOC[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000569588614 358776270 /nfs/dbraw/zinc/77/62/70/358776270.db2.gz PUHMAGZZPKYKSB-LSDHHAIUSA-N 2 2 288.432 0.674 20 0 CCADLP CCCNC(=O)[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000569707012 358786501 /nfs/dbraw/zinc/78/65/01/358786501.db2.gz WMUHJMIIUUPAPK-KBPBESRZSA-N 2 2 285.432 0.537 20 0 CCADLP CCCNC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000569707012 358786503 /nfs/dbraw/zinc/78/65/03/358786503.db2.gz WMUHJMIIUUPAPK-KBPBESRZSA-N 2 2 285.432 0.537 20 0 CCADLP CCCNC(=O)[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)CC)C1 ZINC000569707012 358786504 /nfs/dbraw/zinc/78/65/04/358786504.db2.gz WMUHJMIIUUPAPK-KBPBESRZSA-N 2 2 285.432 0.537 20 0 CCADLP CCCNC(=O)[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000569707012 358786507 /nfs/dbraw/zinc/78/65/07/358786507.db2.gz WMUHJMIIUUPAPK-KBPBESRZSA-N 2 2 285.432 0.537 20 0 CCADLP C[C@@H]([NH2+]CCC(=O)NC(N)=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000569838738 358798107 /nfs/dbraw/zinc/79/81/07/358798107.db2.gz NLEDTCHYHZLWQX-RISCZKNCSA-N 2 2 292.383 0.852 20 0 CCADLP C[C@@H]([NH2+]CCC(=O)NC(N)=O)[C@H](c1ccccc1)[NH+](C)C ZINC000569838736 358798681 /nfs/dbraw/zinc/79/86/81/358798681.db2.gz NLEDTCHYHZLWQX-BXUZGUMPSA-N 2 2 292.383 0.852 20 0 CCADLP CC(C)CSCCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000570187600 358831765 /nfs/dbraw/zinc/83/17/65/358831765.db2.gz BQYASPRQZFVIPR-LBPRGKRZSA-N 2 2 288.461 0.660 20 0 CCADLP CC(C)CSCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000570187600 358831768 /nfs/dbraw/zinc/83/17/68/358831768.db2.gz BQYASPRQZFVIPR-LBPRGKRZSA-N 2 2 288.461 0.660 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)CCc1c[nH+]cn1C ZINC000570957919 358898717 /nfs/dbraw/zinc/89/87/17/358898717.db2.gz LMVYOSVSTDJIEB-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)CCc1c[nH+]cn1C ZINC000570957919 358898720 /nfs/dbraw/zinc/89/87/20/358898720.db2.gz LMVYOSVSTDJIEB-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP CC[C@H](C(=O)N[C@@H](C)C[NH+](C)C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000570994260 358902899 /nfs/dbraw/zinc/90/28/99/358902899.db2.gz DMHAMCDRSUHJQJ-MELADBBJSA-N 2 2 285.432 0.942 20 0 CCADLP CC[C@H](C(=O)N[C@@H](C)C[NH+](C)C)[N@H+]1CCO[C@@H](CC)C1 ZINC000570994260 358902903 /nfs/dbraw/zinc/90/29/03/358902903.db2.gz DMHAMCDRSUHJQJ-MELADBBJSA-N 2 2 285.432 0.942 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H]2C[NH3+])CC1 ZINC000571088042 358911024 /nfs/dbraw/zinc/91/10/24/358911024.db2.gz PDYYEAXFVVTSPC-OAHLLOKOSA-N 3 2 268.449 0.826 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H]2C[NH3+])CC1 ZINC000571088042 358911028 /nfs/dbraw/zinc/91/10/28/358911028.db2.gz PDYYEAXFVVTSPC-OAHLLOKOSA-N 3 2 268.449 0.826 20 0 CCADLP COc1ccc(C)cc1CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000573367200 358961026 /nfs/dbraw/zinc/96/10/26/358961026.db2.gz MNDZAIXLQXWDRV-CQSZACIVSA-N 2 2 291.395 0.647 20 0 CCADLP COc1ccc(C)cc1CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000573367200 358961031 /nfs/dbraw/zinc/96/10/31/358961031.db2.gz MNDZAIXLQXWDRV-CQSZACIVSA-N 2 2 291.395 0.647 20 0 CCADLP Cc1cc(NC(=O)NC[C@H]2C[NH2+]CCO2)c(C)c[nH+]1 ZINC000562754963 291166216 /nfs/dbraw/zinc/16/62/16/291166216.db2.gz GBTBWDJNKCVUIQ-LLVKDONJSA-N 2 2 264.329 0.230 20 0 CCADLP CC(=O)c1ccc(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000573562745 358978852 /nfs/dbraw/zinc/97/88/52/358978852.db2.gz YDIFOKCHLBSYAW-OAHLLOKOSA-N 2 2 289.379 0.533 20 0 CCADLP CC(=O)c1ccc(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000573562745 358978857 /nfs/dbraw/zinc/97/88/57/358978857.db2.gz YDIFOKCHLBSYAW-OAHLLOKOSA-N 2 2 289.379 0.533 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC2CCCCCC2)[C@@H](C[NH3+])C1 ZINC000571181767 358920901 /nfs/dbraw/zinc/92/09/01/358920901.db2.gz DFGBSPOURWYYBU-ZDUSSCGKSA-N 2 2 268.405 0.994 20 0 CCADLP C[N@H+]1CCN(C(=O)NC2CCCCCC2)[C@@H](C[NH3+])C1 ZINC000571181767 358920904 /nfs/dbraw/zinc/92/09/04/358920904.db2.gz DFGBSPOURWYYBU-ZDUSSCGKSA-N 2 2 268.405 0.994 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000573263140 358952170 /nfs/dbraw/zinc/95/21/70/358952170.db2.gz FBGCVOSWMPEUJQ-FQUUOJAGSA-N 2 2 274.405 0.423 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000573263140 358952174 /nfs/dbraw/zinc/95/21/74/358952174.db2.gz FBGCVOSWMPEUJQ-FQUUOJAGSA-N 2 2 274.405 0.423 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000573263140 358952175 /nfs/dbraw/zinc/95/21/75/358952175.db2.gz FBGCVOSWMPEUJQ-FQUUOJAGSA-N 2 2 274.405 0.423 20 0 CCADLP C[C@@H](CC(=O)NCCCN1CC[NH+](C)CC1)n1cc[nH+]c1 ZINC000574163313 359035047 /nfs/dbraw/zinc/03/50/47/359035047.db2.gz PDGWVCWLUMUATI-AWEZNQCLSA-N 2 2 293.415 0.588 20 0 CCADLP C[C@@H](CC(=O)NCCC[NH+]1CCN(C)CC1)n1cc[nH+]c1 ZINC000574163313 359035050 /nfs/dbraw/zinc/03/50/50/359035050.db2.gz PDGWVCWLUMUATI-AWEZNQCLSA-N 2 2 293.415 0.588 20 0 CCADLP C[NH+](C)CCCCC(=O)N1CC(n2cc[nH+]c2)C1 ZINC000573852176 359005677 /nfs/dbraw/zinc/00/56/77/359005677.db2.gz LKQRJWBLEFSBDF-UHFFFAOYSA-N 2 2 250.346 0.998 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CC(C)(C)OC)CC1 ZINC000573859487 359006310 /nfs/dbraw/zinc/00/63/10/359006310.db2.gz HTUCXHJPIQGAMN-CYBMUJFWSA-N 2 2 285.432 0.896 20 0 CCADLP CC(C)(CNC(=O)NCC1=CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000562794425 291167686 /nfs/dbraw/zinc/16/76/86/291167686.db2.gz YWCGRMWITGSYHB-UHFFFAOYSA-N 2 2 296.415 0.316 20 0 CCADLP CN(C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C1CCCC1 ZINC000573924858 359012489 /nfs/dbraw/zinc/01/24/89/359012489.db2.gz ZWRWPHGBSPDBJX-GFCCVEGCSA-N 2 2 254.378 0.556 20 0 CCADLP CN(C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C1CCCC1 ZINC000573924858 359012493 /nfs/dbraw/zinc/01/24/93/359012493.db2.gz ZWRWPHGBSPDBJX-GFCCVEGCSA-N 2 2 254.378 0.556 20 0 CCADLP CC(C)[C@H](NC(=O)C[C@H]1COCC[NH2+]1)c1[nH]cc[nH+]1 ZINC000573962691 359015598 /nfs/dbraw/zinc/01/55/98/359015598.db2.gz HUMIBOVKPATRTE-JQWIXIFHSA-N 2 2 266.345 0.602 20 0 CCADLP C[NH+](C)CCn1ccc(C(=O)N2CCn3c[nH+]cc3C2)n1 ZINC000580842670 359101238 /nfs/dbraw/zinc/10/12/38/359101238.db2.gz OABOWRCDDGHASD-UHFFFAOYSA-N 2 2 288.355 0.297 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000580950816 359112512 /nfs/dbraw/zinc/11/25/12/359112512.db2.gz AKRHKTGSUYJXDI-OBJOEFQTSA-N 2 2 299.415 0.361 20 0 CCADLP C[C@H](C[NH3+])C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000579942751 359063270 /nfs/dbraw/zinc/06/32/70/359063270.db2.gz AOODQYUMOAORSO-SNVBAGLBSA-N 2 2 250.346 0.773 20 0 CCADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000581020700 359123436 /nfs/dbraw/zinc/12/34/36/359123436.db2.gz MFRYJVKUZSTVPM-TZMCWYRMSA-N 2 2 254.374 0.960 20 0 CCADLP C[C@@H]1COCC[N@H+]1C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000581020700 359123438 /nfs/dbraw/zinc/12/34/38/359123438.db2.gz MFRYJVKUZSTVPM-TZMCWYRMSA-N 2 2 254.374 0.960 20 0 CCADLP CCO[C@@H]1C[C@H]1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000584568986 359172779 /nfs/dbraw/zinc/17/27/79/359172779.db2.gz KFYYHHWLAYOFJC-ZIAGYGMSSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000584589772 359176721 /nfs/dbraw/zinc/17/67/21/359176721.db2.gz PPHQQAFBFMRCEV-JQWIXIFHSA-N 2 2 286.339 0.390 20 0 CCADLP C[N@H+](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000584842209 359216376 /nfs/dbraw/zinc/21/63/76/359216376.db2.gz YEQHYJXKDFCXIO-LLVKDONJSA-N 2 2 262.357 0.656 20 0 CCADLP C[N@@H+](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000584842209 359216383 /nfs/dbraw/zinc/21/63/83/359216383.db2.gz YEQHYJXKDFCXIO-LLVKDONJSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@@H](O)[C@H](C)[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000562986991 291178850 /nfs/dbraw/zinc/17/88/50/291178850.db2.gz KVHSMVOVWUKTIZ-LSDHHAIUSA-N 3 2 292.427 0.953 20 0 CCADLP C[C@H](C[S@@](C)=O)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000590594750 359494538 /nfs/dbraw/zinc/49/45/38/359494538.db2.gz OWNZUDLMXBKWFB-ADLMAVQZSA-N 2 2 276.446 0.578 20 0 CCADLP C[C@@H](C[S@@](C)=O)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000590594753 359494803 /nfs/dbraw/zinc/49/48/03/359494803.db2.gz OWNZUDLMXBKWFB-BBATYDOGSA-N 2 2 276.446 0.578 20 0 CCADLP CC(C)OCC[C@H](O)C[NH2+]CCc1cn(C)c[nH+]1 ZINC000563000791 291180318 /nfs/dbraw/zinc/18/03/18/291180318.db2.gz NOKBQAXTZLODMF-ZDUSSCGKSA-N 2 2 255.362 0.728 20 0 CCADLP Cc1ccncc1C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000563001327 291180471 /nfs/dbraw/zinc/18/04/71/291180471.db2.gz SZZYBKZIRFPQNC-LZWOXQAQSA-N 2 2 293.411 0.950 20 0 CCADLP Cc1ccncc1C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000563001327 291180473 /nfs/dbraw/zinc/18/04/73/291180473.db2.gz SZZYBKZIRFPQNC-LZWOXQAQSA-N 2 2 293.411 0.950 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)CCCn2cc[nH+]c2)CCO1 ZINC000591177014 359566989 /nfs/dbraw/zinc/56/69/89/359566989.db2.gz IVYKMJPGRPSVDQ-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)CCCn2cc[nH+]c2)CCO1 ZINC000591177014 359566993 /nfs/dbraw/zinc/56/69/93/359566993.db2.gz IVYKMJPGRPSVDQ-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP C[N@H+](CCn1cc[nH+]c1)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000296841346 200012939 /nfs/dbraw/zinc/01/29/39/200012939.db2.gz SSXJDSOJSZPSSZ-GFCCVEGCSA-N 2 2 298.387 0.701 20 0 CCADLP C[N@@H+](CCn1cc[nH+]c1)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000296841346 200012941 /nfs/dbraw/zinc/01/29/41/200012941.db2.gz SSXJDSOJSZPSSZ-GFCCVEGCSA-N 2 2 298.387 0.701 20 0 CCADLP COCC[N@H+](C)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492903609 237338092 /nfs/dbraw/zinc/33/80/92/237338092.db2.gz UFTOFGZJSLWBIX-ARJAWSKDSA-N 2 2 252.318 0.117 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492903609 237338098 /nfs/dbraw/zinc/33/80/98/237338098.db2.gz UFTOFGZJSLWBIX-ARJAWSKDSA-N 2 2 252.318 0.117 20 0 CCADLP [NH3+]C[C@H](NC(=O)NCCCCn1cc[nH+]c1)C(F)(F)F ZINC000655913040 412689968 /nfs/dbraw/zinc/68/99/68/412689968.db2.gz DAKJUJLLBOXUGD-VIFPVBQESA-N 2 2 293.293 0.852 20 0 CCADLP O=C(N[C@H]1CCC[NH2+]C1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000563109400 291194143 /nfs/dbraw/zinc/19/41/43/291194143.db2.gz BPVITGSZQKKFLT-JTQLQIEISA-N 2 2 272.312 0.144 20 0 CCADLP COCC[N@@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC000592090348 359752272 /nfs/dbraw/zinc/75/22/72/359752272.db2.gz CYPMMWMPBSFIIK-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP COCC[N@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC000592090348 359752275 /nfs/dbraw/zinc/75/22/75/359752275.db2.gz CYPMMWMPBSFIIK-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP Cc1nc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)n[nH]1 ZINC000329357595 202297341 /nfs/dbraw/zinc/29/73/41/202297341.db2.gz WQSGRSYTWXNDJS-CKYFFXLPSA-N 2 2 251.378 0.974 20 0 CCADLP Cc1nc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)n[nH]1 ZINC000329357595 202297344 /nfs/dbraw/zinc/29/73/44/202297344.db2.gz WQSGRSYTWXNDJS-CKYFFXLPSA-N 2 2 251.378 0.974 20 0 CCADLP Cc1nnc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)[nH]1 ZINC000329357595 202297347 /nfs/dbraw/zinc/29/73/47/202297347.db2.gz WQSGRSYTWXNDJS-CKYFFXLPSA-N 2 2 251.378 0.974 20 0 CCADLP C[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000620771650 366564878 /nfs/dbraw/zinc/56/48/78/366564878.db2.gz YMXKAXJZOWDHGQ-AWEZNQCLSA-N 2 2 261.369 0.939 20 0 CCADLP C[NH+](C)CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000620771650 366564879 /nfs/dbraw/zinc/56/48/79/366564879.db2.gz YMXKAXJZOWDHGQ-AWEZNQCLSA-N 2 2 261.369 0.939 20 0 CCADLP CCc1cc(NCCCC[NH+]2CCOCC2)nc[nH+]1 ZINC000592456550 359844290 /nfs/dbraw/zinc/84/42/90/359844290.db2.gz ZSYMOXJHFWYANB-UHFFFAOYSA-N 2 2 264.373 0.985 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[N@@H+](C)CC1(C)C ZINC000297662892 200255242 /nfs/dbraw/zinc/25/52/42/200255242.db2.gz VFIQPPVROPBNRP-UHFFFAOYSA-N 2 2 250.346 0.744 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[N@H+](C)CC1(C)C ZINC000297662892 200255244 /nfs/dbraw/zinc/25/52/44/200255244.db2.gz VFIQPPVROPBNRP-UHFFFAOYSA-N 2 2 250.346 0.744 20 0 CCADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+](C)CCC[NH3+] ZINC000592473760 359849872 /nfs/dbraw/zinc/84/98/72/359849872.db2.gz MMOSUHPCFGSFMW-VXGBXAGGSA-N 2 2 284.404 0.672 20 0 CCADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+](C)CCC[NH3+] ZINC000592473760 359849876 /nfs/dbraw/zinc/84/98/76/359849876.db2.gz MMOSUHPCFGSFMW-VXGBXAGGSA-N 2 2 284.404 0.672 20 0 CCADLP C[NH+](C)CCC[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC000620970131 366609382 /nfs/dbraw/zinc/60/93/82/366609382.db2.gz LOOMCXNDPAFYBM-ZDUSSCGKSA-N 2 2 280.372 0.452 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)C[C@H](C)O1 ZINC000593316112 360065362 /nfs/dbraw/zinc/06/53/62/360065362.db2.gz MAVRZFJCVWUXCM-GVXVVHGQSA-N 2 2 256.346 0.248 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)C[C@H](C)O1 ZINC000593316112 360065364 /nfs/dbraw/zinc/06/53/64/360065364.db2.gz MAVRZFJCVWUXCM-GVXVVHGQSA-N 2 2 256.346 0.248 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)N(C)C(C)C)CC1 ZINC000563355765 291216297 /nfs/dbraw/zinc/21/62/97/291216297.db2.gz NKEIDSHJMPEKIP-OAHLLOKOSA-N 2 2 299.459 0.878 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)N(C)C(C)C)CC1 ZINC000563355765 291216299 /nfs/dbraw/zinc/21/62/99/291216299.db2.gz NKEIDSHJMPEKIP-OAHLLOKOSA-N 2 2 299.459 0.878 20 0 CCADLP COC(=O)c1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000593903084 360201123 /nfs/dbraw/zinc/20/11/23/360201123.db2.gz NUHUKZKHWYHRBH-LBPRGKRZSA-N 2 2 279.340 0.691 20 0 CCADLP COC(=O)c1cccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000593902038 360201354 /nfs/dbraw/zinc/20/13/54/360201354.db2.gz MRGUDQBIJLBXEN-LBPRGKRZSA-N 2 2 279.340 0.691 20 0 CCADLP CC[N@@H+]1CCCN(c2cc(NC[C@H](C)O)[nH+]cn2)CC1 ZINC000298326564 200395971 /nfs/dbraw/zinc/39/59/71/200395971.db2.gz RSLABUQVXOLULH-LBPRGKRZSA-N 2 2 279.388 0.801 20 0 CCADLP CC[N@H+]1CCCN(c2cc(NC[C@H](C)O)[nH+]cn2)CC1 ZINC000298326564 200395973 /nfs/dbraw/zinc/39/59/73/200395973.db2.gz RSLABUQVXOLULH-LBPRGKRZSA-N 2 2 279.388 0.801 20 0 CCADLP CCC(CC)(CC(=O)OC)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593905743 360203615 /nfs/dbraw/zinc/20/36/15/360203615.db2.gz OBWJHVGCPRLMRO-LLVKDONJSA-N 2 2 287.404 0.504 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]CCC(=O)NC(N)=O ZINC000594717546 360366716 /nfs/dbraw/zinc/36/67/16/360366716.db2.gz BPYDRKCHUAANPI-SECBINFHSA-N 2 2 256.350 0.034 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]CCC(=O)NC(N)=O ZINC000594717546 360366717 /nfs/dbraw/zinc/36/67/17/360366717.db2.gz BPYDRKCHUAANPI-SECBINFHSA-N 2 2 256.350 0.034 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@H+](C/C=C\c3ccccc3)CCN2C1=O ZINC000594736432 360369579 /nfs/dbraw/zinc/36/95/79/360369579.db2.gz IGQMTKVMCHHNSY-FEGLDZKKSA-N 2 2 271.364 0.944 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](C/C=C\c3ccccc3)CCN2C1=O ZINC000594736432 360369587 /nfs/dbraw/zinc/36/95/87/360369587.db2.gz IGQMTKVMCHHNSY-FEGLDZKKSA-N 2 2 271.364 0.944 20 0 CCADLP CC(C)n1cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cn1 ZINC000594737052 360370663 /nfs/dbraw/zinc/37/06/63/360370663.db2.gz XIYQCOBUDLIHSG-STQMWFEESA-N 2 2 277.372 0.208 20 0 CCADLP CC(C)n1cc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cn1 ZINC000594737052 360370667 /nfs/dbraw/zinc/37/06/67/360370667.db2.gz XIYQCOBUDLIHSG-STQMWFEESA-N 2 2 277.372 0.208 20 0 CCADLP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000611524358 363734074 /nfs/dbraw/zinc/73/40/74/363734074.db2.gz AZTNZCVDOFCDBU-LBPRGKRZSA-N 2 2 299.415 0.470 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000594943517 360422649 /nfs/dbraw/zinc/42/26/49/360422649.db2.gz KGQDLDCTELODAM-IGQOVBAYSA-N 2 2 284.400 0.620 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000594943517 360422653 /nfs/dbraw/zinc/42/26/53/360422653.db2.gz KGQDLDCTELODAM-IGQOVBAYSA-N 2 2 284.400 0.620 20 0 CCADLP C[C@H](CSCCF)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000595014006 360433753 /nfs/dbraw/zinc/43/37/53/360433753.db2.gz KYOWTTUNWAXDLI-LLVKDONJSA-N 2 2 277.409 0.441 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000177669696 189062273 /nfs/dbraw/zinc/06/22/73/189062273.db2.gz QOSLAYNPDYWZSE-GFCCVEGCSA-N 2 2 274.324 0.281 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000177669696 189062274 /nfs/dbraw/zinc/06/22/74/189062274.db2.gz QOSLAYNPDYWZSE-GFCCVEGCSA-N 2 2 274.324 0.281 20 0 CCADLP O=C(NC[C@H]1C[NH2+]CCCO1)Nc1ccn2cc[nH+]c2c1 ZINC000563491965 291233340 /nfs/dbraw/zinc/23/33/40/291233340.db2.gz PINGELWGRLTIBA-GFCCVEGCSA-N 2 2 289.339 0.834 20 0 CCADLP COC(=O)CCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595862457 360682731 /nfs/dbraw/zinc/68/27/31/360682731.db2.gz BZHAGHFTJQNRTN-CYBMUJFWSA-N 2 2 270.373 0.471 20 0 CCADLP COC(=O)CCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595862457 360682736 /nfs/dbraw/zinc/68/27/36/360682736.db2.gz BZHAGHFTJQNRTN-CYBMUJFWSA-N 2 2 270.373 0.471 20 0 CCADLP COC[C@]1(C(=O)OC)CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000595807181 360662491 /nfs/dbraw/zinc/66/24/91/360662491.db2.gz NRVXQRHPRPDBMB-AWEZNQCLSA-N 2 2 281.356 0.617 20 0 CCADLP COC[C@]1(C(=O)OC)CCC[N@H+]1CCc1c[nH+]cn1C ZINC000595807181 360662494 /nfs/dbraw/zinc/66/24/94/360662494.db2.gz NRVXQRHPRPDBMB-AWEZNQCLSA-N 2 2 281.356 0.617 20 0 CCADLP COC(=O)[C@H](C1CC1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595906320 360700304 /nfs/dbraw/zinc/70/03/04/360700304.db2.gz JLVZWPHJZZWKJL-KBPBESRZSA-N 2 2 284.400 0.981 20 0 CCADLP COC(=O)[C@H](C1CC1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595906320 360700306 /nfs/dbraw/zinc/70/03/06/360700306.db2.gz JLVZWPHJZZWKJL-KBPBESRZSA-N 2 2 284.400 0.981 20 0 CCADLP [NH3+]CC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000178669399 189136218 /nfs/dbraw/zinc/13/62/18/189136218.db2.gz IGOVHGVFMHQBHY-ZDUSSCGKSA-N 2 2 263.341 0.135 20 0 CCADLP C[NH2+]CC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000178883437 189152344 /nfs/dbraw/zinc/15/23/44/189152344.db2.gz UVCTXKQRBIUZHS-UHFFFAOYSA-N 2 2 268.386 0.315 20 0 CCADLP C[NH+](C)CCNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000179220345 189178995 /nfs/dbraw/zinc/17/89/95/189178995.db2.gz NONRVFSADKPXEF-UHFFFAOYSA-N 2 2 261.329 0.695 20 0 CCADLP CCn1nccc1/C=C\C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000493599259 238237238 /nfs/dbraw/zinc/23/72/38/238237238.db2.gz ROBCDHIFQLXZMG-ZFDPJTLLSA-N 2 2 277.372 0.018 20 0 CCADLP CCn1nccc1/C=C\C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000493599259 238237250 /nfs/dbraw/zinc/23/72/50/238237250.db2.gz ROBCDHIFQLXZMG-ZFDPJTLLSA-N 2 2 277.372 0.018 20 0 CCADLP COC(=O)CCN1CC[N@H+](CCCn2cc[nH+]c2)[C@H](C)C1 ZINC000179679467 189212656 /nfs/dbraw/zinc/21/26/56/189212656.db2.gz SIJZSVVNHUTKRD-CQSZACIVSA-N 2 2 294.399 0.842 20 0 CCADLP COC(=O)CCN1CC[N@@H+](CCCn2cc[nH+]c2)[C@H](C)C1 ZINC000179679467 189212657 /nfs/dbraw/zinc/21/26/57/189212657.db2.gz SIJZSVVNHUTKRD-CQSZACIVSA-N 2 2 294.399 0.842 20 0 CCADLP C[C@@H](O)C[N@H+](Cc1nc(C(C)(C)[NH3+])no1)C1CC1 ZINC000655949578 412711470 /nfs/dbraw/zinc/71/14/70/412711470.db2.gz YLSUEHHFHIBIPU-MRVPVSSYSA-N 2 2 254.334 0.609 20 0 CCADLP C[C@@H](O)C[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)C1CC1 ZINC000655949578 412711472 /nfs/dbraw/zinc/71/14/72/412711472.db2.gz YLSUEHHFHIBIPU-MRVPVSSYSA-N 2 2 254.334 0.609 20 0 CCADLP COC(=O)c1oc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1C ZINC000597087216 361006379 /nfs/dbraw/zinc/00/63/79/361006379.db2.gz RCWQOFTVGJJTBP-CQSZACIVSA-N 2 2 282.340 0.531 20 0 CCADLP COC(=O)c1oc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1C ZINC000597087216 361006380 /nfs/dbraw/zinc/00/63/80/361006380.db2.gz RCWQOFTVGJJTBP-CQSZACIVSA-N 2 2 282.340 0.531 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262224084 296027657 /nfs/dbraw/zinc/02/76/57/296027657.db2.gz UUPKRXWRSPVGNY-CHWSQXEVSA-N 3 2 268.405 0.010 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262224084 296027658 /nfs/dbraw/zinc/02/76/58/296027658.db2.gz UUPKRXWRSPVGNY-CHWSQXEVSA-N 3 2 268.405 0.010 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@H+](CCOc3ccccc3F)CCN2C1=O ZINC000563899160 291257977 /nfs/dbraw/zinc/25/79/77/291257977.db2.gz QREQYFKQCYMJNC-AAEUAGOBSA-N 2 2 293.342 0.448 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@@H+](CCOc3ccccc3F)CCN2C1=O ZINC000563899160 291257979 /nfs/dbraw/zinc/25/79/79/291257979.db2.gz QREQYFKQCYMJNC-AAEUAGOBSA-N 2 2 293.342 0.448 20 0 CCADLP C[NH+](C)CCn1nccc1NC(=O)Cn1cc[nH+]c1 ZINC000563983071 291262263 /nfs/dbraw/zinc/26/22/63/291262263.db2.gz GJBHELUZRQRVHJ-UHFFFAOYSA-N 2 2 262.317 0.280 20 0 CCADLP Cc1nc(NC[C@H]2C[NH+]3CCN2CC3)c(C)c(C)[nH+]1 ZINC000301796473 201201391 /nfs/dbraw/zinc/20/13/91/201201391.db2.gz UKUOHOZPLBWLIC-ZDUSSCGKSA-N 2 2 261.373 0.814 20 0 CCADLP C[NH2+][C@@H](C(=O)N(C)CCCn1cc[nH+]c1)c1cnn(C)c1 ZINC000564449720 291279950 /nfs/dbraw/zinc/27/99/50/291279950.db2.gz GHRQRECAVCFJGG-CYBMUJFWSA-N 2 2 290.371 0.426 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000599431748 361697105 /nfs/dbraw/zinc/69/71/05/361697105.db2.gz BQRRXMHNRNTUTK-ZFWWWQNUSA-N 2 2 284.400 0.718 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000599431748 361697109 /nfs/dbraw/zinc/69/71/09/361697109.db2.gz BQRRXMHNRNTUTK-ZFWWWQNUSA-N 2 2 284.400 0.718 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000599431748 361697115 /nfs/dbraw/zinc/69/71/15/361697115.db2.gz BQRRXMHNRNTUTK-ZFWWWQNUSA-N 2 2 284.400 0.718 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000599431748 361697118 /nfs/dbraw/zinc/69/71/18/361697118.db2.gz BQRRXMHNRNTUTK-ZFWWWQNUSA-N 2 2 284.400 0.718 20 0 CCADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H]2COC[C@H]2O)C1 ZINC000564666345 291292750 /nfs/dbraw/zinc/29/27/50/291292750.db2.gz IEKXOCYCJNASGH-YNEHKIRRSA-N 2 2 265.357 0.842 20 0 CCADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H]2COC[C@H]2O)C1 ZINC000564666345 291292752 /nfs/dbraw/zinc/29/27/52/291292752.db2.gz IEKXOCYCJNASGH-YNEHKIRRSA-N 2 2 265.357 0.842 20 0 CCADLP C[C@@H](NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)[C@H](C)[NH3+] ZINC000418735352 296055306 /nfs/dbraw/zinc/05/53/06/296055306.db2.gz XDSMTINXPRZWAH-SDDRHHMPSA-N 2 2 272.393 0.084 20 0 CCADLP CC(C)COC[C@H](O)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000564792673 291300333 /nfs/dbraw/zinc/30/03/33/291300333.db2.gz OYQGVSXMSVFSEL-NWDGAFQWSA-N 2 2 267.373 0.890 20 0 CCADLP CC(C)COC[C@H](O)C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000564792673 291300336 /nfs/dbraw/zinc/30/03/36/291300336.db2.gz OYQGVSXMSVFSEL-NWDGAFQWSA-N 2 2 267.373 0.890 20 0 CCADLP CC1(C)NC(=O)N(CCC[N@@H+]2CCCCC[C@@H]([NH3+])C2)C1=O ZINC000631832257 370698943 /nfs/dbraw/zinc/69/89/43/370698943.db2.gz CCAYAAUHXRHIOL-GFCCVEGCSA-N 2 2 296.415 0.910 20 0 CCADLP CC1(C)NC(=O)N(CCC[N@H+]2CCCCC[C@@H]([NH3+])C2)C1=O ZINC000631832257 370698947 /nfs/dbraw/zinc/69/89/47/370698947.db2.gz CCAYAAUHXRHIOL-GFCCVEGCSA-N 2 2 296.415 0.910 20 0 CCADLP CC1(C)NC(=O)N(CC[N@@H+]2CCCCC[C@H]([NH3+])C2)C1=O ZINC000631832861 370699319 /nfs/dbraw/zinc/69/93/19/370699319.db2.gz OOABJVMSAOPDKG-NSHDSACASA-N 2 2 282.388 0.520 20 0 CCADLP CC1(C)NC(=O)N(CC[N@H+]2CCCCC[C@H]([NH3+])C2)C1=O ZINC000631832861 370699323 /nfs/dbraw/zinc/69/93/23/370699323.db2.gz OOABJVMSAOPDKG-NSHDSACASA-N 2 2 282.388 0.520 20 0 CCADLP CNS(=O)(=O)CCC[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834444 370700556 /nfs/dbraw/zinc/70/05/56/370700556.db2.gz XIPVZKAYXGKYNS-NSHDSACASA-N 2 2 263.407 0.129 20 0 CCADLP CNS(=O)(=O)CCC[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834444 370700558 /nfs/dbraw/zinc/70/05/58/370700558.db2.gz XIPVZKAYXGKYNS-NSHDSACASA-N 2 2 263.407 0.129 20 0 CCADLP Nc1cc(C[NH+]2CCC([NH2+]CCO)CC2)ccn1 ZINC000631862753 370723424 /nfs/dbraw/zinc/72/34/24/370723424.db2.gz NFEYDLCQJDVTKG-UHFFFAOYSA-N 2 2 250.346 0.040 20 0 CCADLP CS(=O)(=O)CC1(C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000631867009 370727296 /nfs/dbraw/zinc/72/72/96/370727296.db2.gz GIWMKZFZYUSMON-YPMHNXCESA-N 2 2 272.414 0.543 20 0 CCADLP COc1coc(C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)cc1=O ZINC000631867924 370727380 /nfs/dbraw/zinc/72/73/80/370727380.db2.gz PCZUIXUARQLLGR-YGRLFVJLSA-N 2 2 264.325 0.880 20 0 CCADLP O=S1(=O)CCC[C@H](C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)C1 ZINC000631867399 370727540 /nfs/dbraw/zinc/72/75/40/370727540.db2.gz STNQIQAERPKKKC-UPJWGTAASA-N 2 2 272.414 0.543 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)C[C@H](C)O1 ZINC000631885782 370736690 /nfs/dbraw/zinc/73/66/90/370736690.db2.gz DWBLITUNAICRFB-LXTVHRRPSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)C[C@H](C)O1 ZINC000631885782 370736697 /nfs/dbraw/zinc/73/66/97/370736697.db2.gz DWBLITUNAICRFB-LXTVHRRPSA-N 2 2 295.427 0.696 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631888368 370738273 /nfs/dbraw/zinc/73/82/73/370738273.db2.gz VLNLMVBXIRDONS-LSDHHAIUSA-N 2 2 297.443 0.993 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631888368 370738277 /nfs/dbraw/zinc/73/82/77/370738277.db2.gz VLNLMVBXIRDONS-LSDHHAIUSA-N 2 2 297.443 0.993 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631890626 370740272 /nfs/dbraw/zinc/74/02/72/370740272.db2.gz UGBCWBRZYVKLKO-CHWSQXEVSA-N 2 2 269.389 0.213 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631890626 370740274 /nfs/dbraw/zinc/74/02/74/370740274.db2.gz UGBCWBRZYVKLKO-CHWSQXEVSA-N 2 2 269.389 0.213 20 0 CCADLP CN(CCC[NH+](C)C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000613260459 364185979 /nfs/dbraw/zinc/18/59/79/364185979.db2.gz VOKUOKZLMMUQGV-GFCCVEGCSA-N 2 2 264.373 0.856 20 0 CCADLP C[C@@H]1[NH2+]CCN(S(=O)(=O)CC2([NH+](C)C)CC2)[C@H]1C ZINC000631934604 370768868 /nfs/dbraw/zinc/76/88/68/370768868.db2.gz FTVOFYLXZOIEMY-QWRGUYRKSA-N 2 2 275.418 0.093 20 0 CCADLP O=C(NCCNc1cc[nH+]cc1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000621678266 366830095 /nfs/dbraw/zinc/83/00/95/366830095.db2.gz NRAQFSBRCDMTIY-LLVKDONJSA-N 2 2 285.351 0.560 20 0 CCADLP O=C(NCCNc1cc[nH+]cc1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000621678266 366830099 /nfs/dbraw/zinc/83/00/99/366830099.db2.gz NRAQFSBRCDMTIY-LLVKDONJSA-N 2 2 285.351 0.560 20 0 CCADLP [NH3+][C@]12CCC[C@H]1C[N@H+](CCOC[C@H]1CCCO1)C2 ZINC000621783230 366866123 /nfs/dbraw/zinc/86/61/23/366866123.db2.gz YWXOHGWTCIKPRE-MJBXVCDLSA-N 2 2 254.374 0.995 20 0 CCADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCOC[C@H]1CCCO1)C2 ZINC000621783230 366866127 /nfs/dbraw/zinc/86/61/27/366866127.db2.gz YWXOHGWTCIKPRE-MJBXVCDLSA-N 2 2 254.374 0.995 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)nn2)CC[NH2+]1 ZINC000564949410 291323916 /nfs/dbraw/zinc/32/39/16/291323916.db2.gz XUDIISLHTJPAGO-QWRGUYRKSA-N 2 2 286.339 0.533 20 0 CCADLP [NH3+]C[C@H]1CN(C(=O)[C@@H]([NH3+])c2c(F)cccc2F)CCCO1 ZINC000564952519 291324665 /nfs/dbraw/zinc/32/46/65/291324665.db2.gz BJWUGTXMWKFBSN-ZANVPECISA-N 2 2 299.321 0.541 20 0 CCADLP C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000615089181 364845237 /nfs/dbraw/zinc/84/52/37/364845237.db2.gz XWKCGXWUDBMREH-CYBMUJFWSA-N 2 2 292.383 0.595 20 0 CCADLP C[C@@H]1COCC[N@H+]1C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000615089181 364845242 /nfs/dbraw/zinc/84/52/42/364845242.db2.gz XWKCGXWUDBMREH-CYBMUJFWSA-N 2 2 292.383 0.595 20 0 CCADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000615182674 364872443 /nfs/dbraw/zinc/87/24/43/364872443.db2.gz LKCSQUZCZBVBPL-SUNKGSAMSA-N 2 2 274.368 0.677 20 0 CCADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000615182674 364872448 /nfs/dbraw/zinc/87/24/48/364872448.db2.gz LKCSQUZCZBVBPL-SUNKGSAMSA-N 2 2 274.368 0.677 20 0 CCADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000615182674 364872454 /nfs/dbraw/zinc/87/24/54/364872454.db2.gz LKCSQUZCZBVBPL-SUNKGSAMSA-N 2 2 274.368 0.677 20 0 CCADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000615182674 364872458 /nfs/dbraw/zinc/87/24/58/364872458.db2.gz LKCSQUZCZBVBPL-SUNKGSAMSA-N 2 2 274.368 0.677 20 0 CCADLP C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000615271512 364901072 /nfs/dbraw/zinc/90/10/72/364901072.db2.gz XRWXACWEHYFANK-KGLIPLIRSA-N 2 2 292.383 0.664 20 0 CCADLP C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000615271512 364901078 /nfs/dbraw/zinc/90/10/78/364901078.db2.gz XRWXACWEHYFANK-KGLIPLIRSA-N 2 2 292.383 0.664 20 0 CCADLP C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000615271512 364901084 /nfs/dbraw/zinc/90/10/84/364901084.db2.gz XRWXACWEHYFANK-KGLIPLIRSA-N 2 2 292.383 0.664 20 0 CCADLP C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000615271512 364901088 /nfs/dbraw/zinc/90/10/88/364901088.db2.gz XRWXACWEHYFANK-KGLIPLIRSA-N 2 2 292.383 0.664 20 0 CCADLP CC[NH+](CC)CC(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615549944 365003635 /nfs/dbraw/zinc/00/36/35/365003635.db2.gz UVZYEJHOIKPQCK-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615552076 365004618 /nfs/dbraw/zinc/00/46/18/365004618.db2.gz BRPYPQDDOONOAO-CQSZACIVSA-N 2 2 283.416 0.650 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000615552076 365004624 /nfs/dbraw/zinc/00/46/24/365004624.db2.gz BRPYPQDDOONOAO-CQSZACIVSA-N 2 2 283.416 0.650 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000615610219 365021582 /nfs/dbraw/zinc/02/15/82/365021582.db2.gz VDNBZBCSYMUWMM-GOEBONIOSA-N 2 2 295.427 0.651 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000615610219 365021587 /nfs/dbraw/zinc/02/15/87/365021587.db2.gz VDNBZBCSYMUWMM-GOEBONIOSA-N 2 2 295.427 0.651 20 0 CCADLP CC[NH+]1CCOC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000615610219 365021596 /nfs/dbraw/zinc/02/15/96/365021596.db2.gz VDNBZBCSYMUWMM-GOEBONIOSA-N 2 2 295.427 0.651 20 0 CCADLP CC[NH+]1CCOC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000615610219 365021600 /nfs/dbraw/zinc/02/16/00/365021600.db2.gz VDNBZBCSYMUWMM-GOEBONIOSA-N 2 2 295.427 0.651 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000565155330 291348051 /nfs/dbraw/zinc/34/80/51/291348051.db2.gz DOBWVHWXXAKXED-UONOGXRCSA-N 3 2 296.459 0.787 20 0 CCADLP C[NH+](C)C1(CNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000616341127 365275934 /nfs/dbraw/zinc/27/59/34/365275934.db2.gz LCUGNRBRPXPUDY-SNVBAGLBSA-N 2 2 262.357 0.725 20 0 CCADLP C[NH+](C)C1(CNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000616341127 365275937 /nfs/dbraw/zinc/27/59/37/365275937.db2.gz LCUGNRBRPXPUDY-SNVBAGLBSA-N 2 2 262.357 0.725 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000565155330 291348053 /nfs/dbraw/zinc/34/80/53/291348053.db2.gz DOBWVHWXXAKXED-UONOGXRCSA-N 3 2 296.459 0.787 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CCO1 ZINC000621784826 366868079 /nfs/dbraw/zinc/86/80/79/366868079.db2.gz VNHMQCKPGYHCKW-MGPQQGTHSA-N 2 2 253.390 0.520 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CCO1 ZINC000621784826 366868081 /nfs/dbraw/zinc/86/80/81/366868081.db2.gz VNHMQCKPGYHCKW-MGPQQGTHSA-N 2 2 253.390 0.520 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000656118526 412744431 /nfs/dbraw/zinc/74/44/31/412744431.db2.gz PYXVGRMAAWEGHQ-MNOVXSKESA-N 2 2 293.371 0.103 20 0 CCADLP C[C@@H](CNC(=O)[C@H](C)[NH+]1CC(C)C1)Cn1cc[nH+]c1 ZINC000565189113 291355111 /nfs/dbraw/zinc/35/51/11/291355111.db2.gz LYLIXERSUBUEAF-AAEUAGOBSA-N 2 2 264.373 0.976 20 0 CCADLP CC1(C)C[NH+](CC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000565191873 291355732 /nfs/dbraw/zinc/35/57/32/291355732.db2.gz WWACOBXXMIPUMY-CQSZACIVSA-N 2 2 295.427 0.651 20 0 CCADLP COc1c(N)[nH+]cnc1NC[C@]1([NH+](C)C)CCSC1 ZINC000565228079 291363808 /nfs/dbraw/zinc/36/38/08/291363808.db2.gz FJOHLBHMECAWDV-GFCCVEGCSA-N 2 2 283.401 0.339 20 0 CCADLP CN(C)[C@@H](C(=O)N(C)CCC[NH+](C)C)c1c[nH+]cn1C ZINC000622484646 367183811 /nfs/dbraw/zinc/18/38/11/367183811.db2.gz UXJPBJJZSGPLHL-CYBMUJFWSA-N 2 2 281.404 0.433 20 0 CCADLP CN1CCN(S(=O)(=O)CCC[NH+](C)C)c2ccc[nH+]c21 ZINC000632072347 370859808 /nfs/dbraw/zinc/85/98/08/370859808.db2.gz BKOODCCAOKECID-UHFFFAOYSA-N 2 2 298.412 0.619 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000622557985 367207080 /nfs/dbraw/zinc/20/70/80/367207080.db2.gz WCSLQZLSCLFAKX-UHFFFAOYSA-N 2 2 278.356 0.173 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@@]1(C)C[NH3+] ZINC000623179575 367467323 /nfs/dbraw/zinc/46/73/23/367467323.db2.gz UFLYRZRBFTZTSZ-TYNCELHUSA-N 2 2 276.384 0.889 20 0 CCADLP O=C(CCCC[NH+]1CCOCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623260555 367498532 /nfs/dbraw/zinc/49/85/32/367498532.db2.gz HUKDQZCPGZFGMD-ZDUSSCGKSA-N 2 2 292.383 0.427 20 0 CCADLP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000623461261 367567107 /nfs/dbraw/zinc/56/71/07/367567107.db2.gz DVBFAFGYIXRTDC-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000623461261 367567110 /nfs/dbraw/zinc/56/71/10/367567110.db2.gz DVBFAFGYIXRTDC-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623461261 367567116 /nfs/dbraw/zinc/56/71/16/367567116.db2.gz DVBFAFGYIXRTDC-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623461261 367567120 /nfs/dbraw/zinc/56/71/20/367567120.db2.gz DVBFAFGYIXRTDC-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CN(CCC(=O)N[C@H]1Cc2c[nH+]cn2C1)c1cc[nH+]cc1 ZINC000623262440 367501017 /nfs/dbraw/zinc/50/10/17/367501017.db2.gz BQFOFNDRPODBHE-LBPRGKRZSA-N 2 2 285.351 0.846 20 0 CCADLP C[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)S(C)(=O)=O ZINC000623472328 367569170 /nfs/dbraw/zinc/56/91/70/367569170.db2.gz MFLOWFSTFICARR-QWRGUYRKSA-N 2 2 262.419 0.882 20 0 CCADLP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)S(C)(=O)=O ZINC000623472328 367569175 /nfs/dbraw/zinc/56/91/75/367569175.db2.gz MFLOWFSTFICARR-QWRGUYRKSA-N 2 2 262.419 0.882 20 0 CCADLP C[C@@H](NC(=O)[C@H]1CCC[NH2+][C@H]1C)[C@@H](C)[NH+]1CCOCC1 ZINC000342698812 296101322 /nfs/dbraw/zinc/10/13/22/296101322.db2.gz HYCQQWBUPNULAX-RQJABVFESA-N 2 2 283.416 0.600 20 0 CCADLP CO[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000623619433 367606202 /nfs/dbraw/zinc/60/62/02/367606202.db2.gz FRRVNBINEIOICR-MJBXVCDLSA-N 2 2 283.416 0.873 20 0 CCADLP CO[C@@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000623619433 367606206 /nfs/dbraw/zinc/60/62/06/367606206.db2.gz FRRVNBINEIOICR-MJBXVCDLSA-N 2 2 283.416 0.873 20 0 CCADLP OCC1([NH2+]CC2CC2)CC[NH+](CCn2cncn2)CC1 ZINC000566306065 291392868 /nfs/dbraw/zinc/39/28/68/291392868.db2.gz FCSNKKOFNCNYKZ-UHFFFAOYSA-N 2 2 279.388 0.105 20 0 CCADLP CN1CCOC[C@H]1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000623713520 367627996 /nfs/dbraw/zinc/62/79/96/367627996.db2.gz ARFZERKOIYUWFH-GFCCVEGCSA-N 2 2 250.346 0.250 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000623638836 367613735 /nfs/dbraw/zinc/61/37/35/367613735.db2.gz UFQYIBQAFAFMHG-OKILXGFUSA-N 2 2 294.399 0.807 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000623638836 367613745 /nfs/dbraw/zinc/61/37/45/367613745.db2.gz UFQYIBQAFAFMHG-OKILXGFUSA-N 2 2 294.399 0.807 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NC[C@H]2COCC[NH+]2C)C[N@@H+]1C1CC1 ZINC000623734937 367641699 /nfs/dbraw/zinc/64/16/99/367641699.db2.gz HXLIMFFMUZVJKV-DYEKYZERSA-N 2 2 296.415 0.241 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NC[C@H]2COCC[NH+]2C)C[N@H+]1C1CC1 ZINC000623734937 367641704 /nfs/dbraw/zinc/64/17/04/367641704.db2.gz HXLIMFFMUZVJKV-DYEKYZERSA-N 2 2 296.415 0.241 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NC[C@H]2COCC[N@@H+]2C)C[NH+]1C1CC1 ZINC000623734937 367641708 /nfs/dbraw/zinc/64/17/08/367641708.db2.gz HXLIMFFMUZVJKV-DYEKYZERSA-N 2 2 296.415 0.241 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NC[C@H]2COCC[N@H+]2C)C[NH+]1C1CC1 ZINC000623734937 367641715 /nfs/dbraw/zinc/64/17/15/367641715.db2.gz HXLIMFFMUZVJKV-DYEKYZERSA-N 2 2 296.415 0.241 20 0 CCADLP COCc1ccc(C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000623758418 367647013 /nfs/dbraw/zinc/64/70/13/367647013.db2.gz ACDUQLQGBGDSAM-OAHLLOKOSA-N 2 2 264.369 0.989 20 0 CCADLP COCc1ccc(C[NH2+]CC[N@H+]2CC[C@@H](O)C2)cc1 ZINC000623758418 367647016 /nfs/dbraw/zinc/64/70/16/367647016.db2.gz ACDUQLQGBGDSAM-OAHLLOKOSA-N 2 2 264.369 0.989 20 0 CCADLP Nc1nc(N2CC[NH+](Cc3cccs3)CC2)nc(N)[nH+]1 ZINC000623808715 367665936 /nfs/dbraw/zinc/66/59/36/367665936.db2.gz AKHBKXCHPMFGGN-UHFFFAOYSA-N 2 2 291.384 0.080 20 0 CCADLP Nc1nc(N)[nH+]c(N2CCC([NH+]3CCCCC3)CC2)n1 ZINC000623871640 367683359 /nfs/dbraw/zinc/68/33/59/367683359.db2.gz JNKJSKDQEYQVEZ-UHFFFAOYSA-N 2 2 277.376 0.151 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c2nccn21 ZINC000624086724 367749970 /nfs/dbraw/zinc/74/99/70/367749970.db2.gz STJIIOWKPPWTCC-UPJWGTAASA-N 2 2 291.399 0.818 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c2nccn21 ZINC000624086724 367749972 /nfs/dbraw/zinc/74/99/72/367749972.db2.gz STJIIOWKPPWTCC-UPJWGTAASA-N 2 2 291.399 0.818 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@H](C)[NH+](C)C)CC2 ZINC000623975421 367714009 /nfs/dbraw/zinc/71/40/09/367714009.db2.gz FBYLGTAPJPIXNU-NWDGAFQWSA-N 2 2 264.373 0.820 20 0 CCADLP CC[N@@H+]1CCN(S(=O)(=O)CCC[NH+](C)C)C[C@@H]1C ZINC000632140237 370887264 /nfs/dbraw/zinc/88/72/64/370887264.db2.gz DROUSJTXODTRIY-LBPRGKRZSA-N 2 2 277.434 0.294 20 0 CCADLP CC[N@H+]1CCN(S(=O)(=O)CCC[NH+](C)C)C[C@@H]1C ZINC000632140237 370887269 /nfs/dbraw/zinc/88/72/69/370887269.db2.gz DROUSJTXODTRIY-LBPRGKRZSA-N 2 2 277.434 0.294 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000624334657 367836124 /nfs/dbraw/zinc/83/61/24/367836124.db2.gz FCRVDUHTQCLBQB-KWCYVHTRSA-N 2 2 253.390 0.125 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000624334657 367836128 /nfs/dbraw/zinc/83/61/28/367836128.db2.gz FCRVDUHTQCLBQB-KWCYVHTRSA-N 2 2 253.390 0.125 20 0 CCADLP Cn1cc(CC[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)nn1 ZINC000625398060 368180494 /nfs/dbraw/zinc/18/04/94/368180494.db2.gz GBIJRIDGGFORCR-CQSZACIVSA-N 2 2 293.415 0.402 20 0 CCADLP O[C@@H](Cn1cccn1)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625554484 368245847 /nfs/dbraw/zinc/24/58/47/368245847.db2.gz WUDSTIYQEMXHOH-OAHLLOKOSA-N 2 2 294.399 0.041 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(c2nccnn2)CC1 ZINC000625642118 368281288 /nfs/dbraw/zinc/28/12/88/368281288.db2.gz KQCQOPHGIQJCFS-CYBMUJFWSA-N 2 2 276.388 0.478 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(c2nccnn2)CC1 ZINC000625642118 368281294 /nfs/dbraw/zinc/28/12/94/368281294.db2.gz KQCQOPHGIQJCFS-CYBMUJFWSA-N 2 2 276.388 0.478 20 0 CCADLP C[C@H](NC(=O)N(C)CCC[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000566512680 291420686 /nfs/dbraw/zinc/42/06/86/291420686.db2.gz NSIPPXBDPBTNIP-RYUDHWBXSA-N 2 2 272.393 0.086 20 0 CCADLP Cc1cc(NC(=O)N(C)CCOCC[NH3+])c(C)c[nH+]1 ZINC000625874078 368354271 /nfs/dbraw/zinc/35/42/71/368354271.db2.gz POOJFZWXEATYPU-UHFFFAOYSA-N 2 2 266.345 0.559 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCc3c(O)cccc3C2)CC1 ZINC000626025709 368399339 /nfs/dbraw/zinc/39/93/39/368399339.db2.gz JCDRZUDUPAIEKW-UHFFFAOYSA-N 2 2 289.379 0.524 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCc3c(O)cccc3C2)CC1 ZINC000626025709 368399343 /nfs/dbraw/zinc/39/93/43/368399343.db2.gz JCDRZUDUPAIEKW-UHFFFAOYSA-N 2 2 289.379 0.524 20 0 CCADLP CCC1([NH+](C)C)CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000640016741 376193041 /nfs/dbraw/zinc/19/30/41/376193041.db2.gz CCFIRJAQTYYWPK-UHFFFAOYSA-N 2 2 281.400 0.942 20 0 CCADLP [NH3+]CC1(NC(=O)NCCCCn2cc[nH+]c2)CCOCC1 ZINC000626945075 368692799 /nfs/dbraw/zinc/69/27/99/368692799.db2.gz FQGDBAQVCALUAF-UHFFFAOYSA-N 2 2 295.387 0.470 20 0 CCADLP Cc1ccc(NC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)c(C)[nH+]1 ZINC000626891247 368669737 /nfs/dbraw/zinc/66/97/37/368669737.db2.gz YSXMGLNTYCMXOZ-CABZTGNLSA-N 2 2 290.367 0.894 20 0 CCADLP Cc1ccc(NC(=O)C(=O)NCCOCCC[NH3+])c(C)[nH+]1 ZINC000626892346 368670137 /nfs/dbraw/zinc/67/01/37/368670137.db2.gz AHANJPYKTXKNFL-UHFFFAOYSA-N 2 2 294.355 0.119 20 0 CCADLP CN(C)c1ccc(CNC(=O)N[C@@H]2CC[NH2+]C2)c[nH+]1 ZINC000626935136 368686359 /nfs/dbraw/zinc/68/63/59/368686359.db2.gz YABLWSPJDWKUKP-LLVKDONJSA-N 2 2 263.345 0.309 20 0 CCADLP C[NH2+]CCOCCNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000626934680 368686388 /nfs/dbraw/zinc/68/63/88/368686388.db2.gz LFAPITLPAJZDSK-UHFFFAOYSA-N 2 2 295.387 0.183 20 0 CCADLP CCC1([NH+](C)C)CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000640015928 376193654 /nfs/dbraw/zinc/19/36/54/376193654.db2.gz PDKJTDWWIOVUDY-UHFFFAOYSA-N 2 2 277.434 0.471 20 0 CCADLP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000627051370 368757659 /nfs/dbraw/zinc/75/76/59/368757659.db2.gz BOITUOGIKQHKJH-NWDGAFQWSA-N 2 2 295.387 0.766 20 0 CCADLP CCC[C@@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])OCC ZINC000627122480 368814308 /nfs/dbraw/zinc/81/43/08/368814308.db2.gz HOHPFYPQNMOBFL-STQMWFEESA-N 2 2 286.420 0.476 20 0 CCADLP CCC[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])OCC ZINC000627122480 368814313 /nfs/dbraw/zinc/81/43/13/368814313.db2.gz HOHPFYPQNMOBFL-STQMWFEESA-N 2 2 286.420 0.476 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000627084820 368783506 /nfs/dbraw/zinc/78/35/06/368783506.db2.gz FIKIIXYMSXEVNL-GXTWGEPZSA-N 2 2 284.404 0.006 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000627084820 368783512 /nfs/dbraw/zinc/78/35/12/368783512.db2.gz FIKIIXYMSXEVNL-GXTWGEPZSA-N 2 2 284.404 0.006 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000627239118 368902056 /nfs/dbraw/zinc/90/20/56/368902056.db2.gz ZRTQWYSXOLCFPP-WCQYABFASA-N 2 2 277.372 0.980 20 0 CCADLP C[C@@H]([NH3+])C1CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000627184404 368853906 /nfs/dbraw/zinc/85/39/06/368853906.db2.gz WZIWZBTUGIXNMQ-YPMHNXCESA-N 2 2 284.404 0.086 20 0 CCADLP C[C@@H]([NH3+])C1CCN(C(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000627184404 368853911 /nfs/dbraw/zinc/85/39/11/368853911.db2.gz WZIWZBTUGIXNMQ-YPMHNXCESA-N 2 2 284.404 0.086 20 0 CCADLP CC[C@@H]1CN(Cc2[nH]cc(C)[nH+]2)CC[N@@H+]1C[C@@H](C)O ZINC000628164994 369196450 /nfs/dbraw/zinc/19/64/50/369196450.db2.gz IXHZIMVAPNJDPJ-CHWSQXEVSA-N 2 2 266.389 0.995 20 0 CCADLP CC[C@@H]1CN(Cc2[nH]cc(C)[nH+]2)CC[N@H+]1C[C@@H](C)O ZINC000628164994 369196453 /nfs/dbraw/zinc/19/64/53/369196453.db2.gz IXHZIMVAPNJDPJ-CHWSQXEVSA-N 2 2 266.389 0.995 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1C ZINC000330745580 203180846 /nfs/dbraw/zinc/18/08/46/203180846.db2.gz VWESAQKIKUABSC-MNOVXSKESA-N 2 2 250.346 0.941 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1C ZINC000330745580 203180849 /nfs/dbraw/zinc/18/08/49/203180849.db2.gz VWESAQKIKUABSC-MNOVXSKESA-N 2 2 250.346 0.941 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1C ZINC000330745580 203180852 /nfs/dbraw/zinc/18/08/52/203180852.db2.gz VWESAQKIKUABSC-MNOVXSKESA-N 2 2 250.346 0.941 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1C ZINC000330745580 203180854 /nfs/dbraw/zinc/18/08/54/203180854.db2.gz VWESAQKIKUABSC-MNOVXSKESA-N 2 2 250.346 0.941 20 0 CCADLP O=C([C@H]1C[NH2+]CCO1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000424199445 296137577 /nfs/dbraw/zinc/13/75/77/296137577.db2.gz YSUITQGVKCLJIM-WDEREUQCSA-N 2 2 264.329 0.452 20 0 CCADLP Cc1[nH]c(CN2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)[nH+]c1C ZINC000628314188 369239197 /nfs/dbraw/zinc/23/91/97/369239197.db2.gz POYRATODQYRAKQ-MNOVXSKESA-N 2 2 266.389 0.913 20 0 CCADLP Cc1[nH]c(CN2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)[nH+]c1C ZINC000628314188 369239204 /nfs/dbraw/zinc/23/92/04/369239204.db2.gz POYRATODQYRAKQ-MNOVXSKESA-N 2 2 266.389 0.913 20 0 CCADLP COC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000330823175 203280757 /nfs/dbraw/zinc/28/07/57/203280757.db2.gz GQPIIFSYZCCCKB-MFKMUULPSA-N 2 2 267.329 0.513 20 0 CCADLP COC(=O)[C@@](C)(O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000330823175 203280762 /nfs/dbraw/zinc/28/07/62/203280762.db2.gz GQPIIFSYZCCCKB-MFKMUULPSA-N 2 2 267.329 0.513 20 0 CCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@H]1COCC[N@H+]1C)CC2 ZINC000628923673 369470682 /nfs/dbraw/zinc/47/06/82/369470682.db2.gz RWHPSERMURQFRZ-JSGCOSHPSA-N 2 2 292.383 0.201 20 0 CCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@H]1COCC[N@@H+]1C)CC2 ZINC000628923673 369470686 /nfs/dbraw/zinc/47/06/86/369470686.db2.gz RWHPSERMURQFRZ-JSGCOSHPSA-N 2 2 292.383 0.201 20 0 CCADLP C[C@@H]1C[N@H+](CCC[NH2+]C[C@H](O)C[NH+]2CCCC2)CCCO1 ZINC000629576095 369718975 /nfs/dbraw/zinc/71/89/75/369718975.db2.gz RNQPLWITQKZHKG-CVEARBPZSA-N 3 2 299.459 0.534 20 0 CCADLP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H](O)C[NH+]2CCCC2)CCCO1 ZINC000629576095 369718978 /nfs/dbraw/zinc/71/89/78/369718978.db2.gz RNQPLWITQKZHKG-CVEARBPZSA-N 3 2 299.459 0.534 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000629516113 369688819 /nfs/dbraw/zinc/68/88/19/369688819.db2.gz YBUYZPPREQDDIT-TUVASFSCSA-N 3 2 294.443 0.304 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000629516113 369688821 /nfs/dbraw/zinc/68/88/21/369688821.db2.gz YBUYZPPREQDDIT-TUVASFSCSA-N 3 2 294.443 0.304 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCN(C2CCC2)C1=O)C1CC1 ZINC000629617004 369741897 /nfs/dbraw/zinc/74/18/97/369741897.db2.gz DUYPHIWBOOFNRZ-KGLIPLIRSA-N 2 2 281.400 0.185 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCN(C2CCC2)C1=O)C1CC1 ZINC000629617004 369741903 /nfs/dbraw/zinc/74/19/03/369741903.db2.gz DUYPHIWBOOFNRZ-KGLIPLIRSA-N 2 2 281.400 0.185 20 0 CCADLP C[NH2+]CCOCC[N@H+](C)Cc1nc2c(s1)C[NH2+]CC2 ZINC000629653602 369748978 /nfs/dbraw/zinc/74/89/78/369748978.db2.gz KNMDZLBZCGQXSA-UHFFFAOYSA-N 3 2 284.429 0.457 20 0 CCADLP C[NH2+]CCOCC[N@@H+](C)Cc1nc2c(s1)C[NH2+]CC2 ZINC000629653602 369748982 /nfs/dbraw/zinc/74/89/82/369748982.db2.gz KNMDZLBZCGQXSA-UHFFFAOYSA-N 3 2 284.429 0.457 20 0 CCADLP CO[C@@H]1C[N@H+]([C@H]2CCCN(C(C)C)C2=O)[C@](C)(C[NH3+])C1 ZINC000630366892 370067579 /nfs/dbraw/zinc/06/75/79/370067579.db2.gz XBROTOBXOVDRAZ-YDHLFZDLSA-N 2 2 283.416 0.824 20 0 CCADLP CO[C@@H]1C[N@@H+]([C@H]2CCCN(C(C)C)C2=O)[C@](C)(C[NH3+])C1 ZINC000630366892 370067582 /nfs/dbraw/zinc/06/75/82/370067582.db2.gz XBROTOBXOVDRAZ-YDHLFZDLSA-N 2 2 283.416 0.824 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000630743851 370256674 /nfs/dbraw/zinc/25/66/74/370256674.db2.gz RSDGGBBMPDJKGU-HZSPNIEDSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH+]2CCOCC2)CC[N@H+]1C ZINC000630743851 370256677 /nfs/dbraw/zinc/25/66/77/370256677.db2.gz RSDGGBBMPDJKGU-HZSPNIEDSA-N 2 2 283.416 0.554 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CC[C@H](O)C(F)F)n1C ZINC000631216319 370424903 /nfs/dbraw/zinc/42/49/03/370424903.db2.gz MVMPLOIRJMRWMA-VIFPVBQESA-N 2 2 262.304 0.592 20 0 CCADLP CNS(=O)(=O)CCC[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000631229380 370428822 /nfs/dbraw/zinc/42/88/22/370428822.db2.gz LDLZBUDURXBFET-UHFFFAOYSA-N 2 2 296.396 0.672 20 0 CCADLP Cc1nc(NCCC[NH+](C(C)C)C(C)C)nc(N)[nH+]1 ZINC000631140074 370397204 /nfs/dbraw/zinc/39/72/04/370397204.db2.gz SDIJPBBDRKHZBE-UHFFFAOYSA-N 2 2 266.393 0.935 20 0 CCADLP Cc1nc(N)nc(NCCC[NH+](C(C)C)C(C)C)[nH+]1 ZINC000631140074 370397208 /nfs/dbraw/zinc/39/72/08/370397208.db2.gz SDIJPBBDRKHZBE-UHFFFAOYSA-N 2 2 266.393 0.935 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C2CN(c3ccncn3)C2)n1C ZINC000631257427 370440668 /nfs/dbraw/zinc/44/06/68/370440668.db2.gz WGOCQQXOZLJKKV-UHFFFAOYSA-N 2 2 287.371 0.255 20 0 CCADLP C[NH+]1CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000631635031 370617036 /nfs/dbraw/zinc/61/70/36/370617036.db2.gz HYYGAUZCZOLTCI-UHFFFAOYSA-N 2 2 275.418 0.050 20 0 CCADLP CC[NH+]1CCC([NH2+][C@@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000631681235 370633535 /nfs/dbraw/zinc/63/35/35/370633535.db2.gz WSRWKGULTXHMRT-OAHLLOKOSA-N 2 2 295.427 0.840 20 0 CCADLP O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@H]1CC(F)(F)C[NH2+]1 ZINC000334656488 284245095 /nfs/dbraw/zinc/24/50/95/284245095.db2.gz YWVVWJOZIGABLZ-RQJHMYQMSA-N 2 2 269.242 0.097 20 0 CCADLP COC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343884203 284262787 /nfs/dbraw/zinc/26/27/87/284262787.db2.gz DOSNMUUZORFSJL-RDBSUJKOSA-N 2 2 283.416 0.506 20 0 CCADLP COC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343884203 284262788 /nfs/dbraw/zinc/26/27/88/284262788.db2.gz DOSNMUUZORFSJL-RDBSUJKOSA-N 2 2 283.416 0.506 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000567819397 291518895 /nfs/dbraw/zinc/51/88/95/291518895.db2.gz HZLVDWCLLAJFCS-LBPRGKRZSA-N 2 2 266.345 0.110 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000331947179 204324014 /nfs/dbraw/zinc/32/40/14/204324014.db2.gz IXLWOULHAKYPOT-ZDUSSCGKSA-N 2 2 298.431 0.884 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000331947179 204324016 /nfs/dbraw/zinc/32/40/16/204324016.db2.gz IXLWOULHAKYPOT-ZDUSSCGKSA-N 2 2 298.431 0.884 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000632955144 371336696 /nfs/dbraw/zinc/33/66/96/371336696.db2.gz MQEFFILFHGABKP-ZCFIWIBFSA-N 2 2 265.239 0.441 20 0 CCADLP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)NC1CCOCC1 ZINC000331964398 204342890 /nfs/dbraw/zinc/34/28/90/204342890.db2.gz RAPRROPAXVBZFE-UHFFFAOYSA-N 2 2 292.383 0.884 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000633111699 371401769 /nfs/dbraw/zinc/40/17/69/371401769.db2.gz XGTPFQGEUAUXQI-LLVKDONJSA-N 2 2 293.371 0.098 20 0 CCADLP C[C@@H](NC(=O)N(C)Cc1[nH]cc[nH+]1)[C@H]1C[N@H+](C)CCO1 ZINC000633128744 371408169 /nfs/dbraw/zinc/40/81/69/371408169.db2.gz GFQRUJSZOKDUPA-GHMZBOCLSA-N 2 2 281.360 0.270 20 0 CCADLP C[C@@H](NC(=O)N(C)Cc1[nH]cc[nH+]1)[C@H]1C[N@@H+](C)CCO1 ZINC000633128744 371408170 /nfs/dbraw/zinc/40/81/70/371408170.db2.gz GFQRUJSZOKDUPA-GHMZBOCLSA-N 2 2 281.360 0.270 20 0 CCADLP Cc1ccc(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)c(C)[nH+]1 ZINC000633043014 371375151 /nfs/dbraw/zinc/37/51/51/371375151.db2.gz XJXLICVANGVDIM-ONGXEEELSA-N 2 2 276.340 0.585 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)NCC[NH+]1CCSCC1 ZINC000633076499 371384506 /nfs/dbraw/zinc/38/45/06/371384506.db2.gz WETRFSLEOLYKPR-UHFFFAOYSA-N 2 2 283.401 0.600 20 0 CCADLP CC[C@@H](O)CC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634194891 371944642 /nfs/dbraw/zinc/94/46/42/371944642.db2.gz XJFGKCSBWJGUOE-CYBMUJFWSA-N 2 2 292.383 0.933 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000567909787 291534603 /nfs/dbraw/zinc/53/46/03/291534603.db2.gz UHRMVABWRNEEQN-LBPRGKRZSA-N 2 2 280.372 0.542 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)n1C ZINC000634704350 372150473 /nfs/dbraw/zinc/15/04/73/372150473.db2.gz JXAGSESETFKFKE-ZFWWWQNUSA-N 2 2 296.415 0.488 20 0 CCADLP OC[C@H]1CCC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nn1 ZINC000656440433 412795401 /nfs/dbraw/zinc/79/54/01/412795401.db2.gz HDLXWCMHFXWISN-CYBMUJFWSA-N 2 2 259.313 0.619 20 0 CCADLP OC[C@H]1CCC[N@H+]1Cc1cn(-c2cc[nH+]cc2)nn1 ZINC000656440433 412795406 /nfs/dbraw/zinc/79/54/06/412795406.db2.gz HDLXWCMHFXWISN-CYBMUJFWSA-N 2 2 259.313 0.619 20 0 CCADLP C[C@H]([NH3+])CNc1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1 ZINC000634808764 372249709 /nfs/dbraw/zinc/24/97/09/372249709.db2.gz BMPTXIFIKMRXHW-DCAQKATOSA-N 2 2 265.361 0.443 20 0 CCADLP C[C@H]([NH3+])CNc1cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]cn1 ZINC000634808765 372249983 /nfs/dbraw/zinc/24/99/83/372249983.db2.gz BMPTXIFIKMRXHW-GARJFASQSA-N 2 2 265.361 0.443 20 0 CCADLP C[C@H](O)[C@H]1CCN(c2cc(NC3C[NH2+]C3)nc[nH+]2)C1 ZINC000634809606 372251162 /nfs/dbraw/zinc/25/11/62/372251162.db2.gz XBEMTVVZGQNIPF-UWVGGRQHSA-N 2 2 263.345 0.067 20 0 CCADLP c1nc(N[C@H]2CC[NH2+]C23CCC3)c2c([nH+]1)NCCO2 ZINC000634812946 372257141 /nfs/dbraw/zinc/25/71/41/372257141.db2.gz VEZXEHXVWHNOLC-VIFPVBQESA-N 2 2 261.329 0.977 20 0 CCADLP c1nc(N2CCC[C@@H]3C[NH2+]CC[C@@H]32)c2c([nH+]1)NCCO2 ZINC000634812911 372257155 /nfs/dbraw/zinc/25/71/55/372257155.db2.gz UOAPYAVXYOSIPH-MNOVXSKESA-N 2 2 275.356 0.859 20 0 CCADLP c1nc2c(c(N3CCC[C@@H]4C[NH2+]CC[C@@H]43)[nH+]1)OCCN2 ZINC000634812911 372257160 /nfs/dbraw/zinc/25/71/60/372257160.db2.gz UOAPYAVXYOSIPH-MNOVXSKESA-N 2 2 275.356 0.859 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCNC(=O)CC1 ZINC000634959566 372312359 /nfs/dbraw/zinc/31/23/59/372312359.db2.gz VNJPEQRWFPPQBM-CHWSQXEVSA-N 2 2 269.389 0.356 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCNC(=O)CC1 ZINC000634959566 372312366 /nfs/dbraw/zinc/31/23/66/372312366.db2.gz VNJPEQRWFPPQBM-CHWSQXEVSA-N 2 2 269.389 0.356 20 0 CCADLP O=C1C[C@H]([C@@H]2CCCC[N@@H+]2CC23CC(C2)C[NH2+]3)CN1 ZINC000634992918 372327707 /nfs/dbraw/zinc/32/77/07/372327707.db2.gz FWWKRENKVOCCKH-FMPXUHTOSA-N 2 2 263.385 0.729 20 0 CCADLP O=C1C[C@H]([C@@H]2CCCC[N@H+]2CC23CC(C2)C[NH2+]3)CN1 ZINC000634992918 372327710 /nfs/dbraw/zinc/32/77/10/372327710.db2.gz FWWKRENKVOCCKH-FMPXUHTOSA-N 2 2 263.385 0.729 20 0 CCADLP C[C@@H]([NH2+]Cc1c(Br)cnn1C)C1C[NH2+]C1 ZINC000635020884 372350599 /nfs/dbraw/zinc/35/05/99/372350599.db2.gz NFRPHLKKHTUCPC-SSDOTTSWSA-N 2 2 273.178 0.880 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)NCCN1CC[NH+](C)CC1 ZINC000635160706 372399450 /nfs/dbraw/zinc/39/94/50/372399450.db2.gz KNRYULFLKRGVDC-UHFFFAOYSA-N 2 2 293.415 0.370 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC000635314243 372457952 /nfs/dbraw/zinc/45/79/52/372457952.db2.gz VJYBJCFDDLCIDE-LBPRGKRZSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C1(C[NH+](C)C)CC1 ZINC000635326286 372460980 /nfs/dbraw/zinc/46/09/80/372460980.db2.gz BOYCAPRYDUUCNF-LLVKDONJSA-N 2 2 250.346 0.730 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCO1 ZINC000635467613 372536289 /nfs/dbraw/zinc/53/62/89/372536289.db2.gz UHUCWAUYQBHYNP-VXGBXAGGSA-N 2 2 292.383 0.740 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCO1 ZINC000635467613 372536295 /nfs/dbraw/zinc/53/62/95/372536295.db2.gz UHUCWAUYQBHYNP-VXGBXAGGSA-N 2 2 292.383 0.740 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000333076065 205010490 /nfs/dbraw/zinc/01/04/90/205010490.db2.gz PNZPZDXIPCZKPI-NEPJUHHUSA-N 2 2 278.356 0.207 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000333076065 205010492 /nfs/dbraw/zinc/01/04/92/205010492.db2.gz PNZPZDXIPCZKPI-NEPJUHHUSA-N 2 2 278.356 0.207 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635618363 372691013 /nfs/dbraw/zinc/69/10/13/372691013.db2.gz ANINEKYLUXVJON-VXGBXAGGSA-N 2 2 280.372 0.598 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635618363 372691021 /nfs/dbraw/zinc/69/10/21/372691021.db2.gz ANINEKYLUXVJON-VXGBXAGGSA-N 2 2 280.372 0.598 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635618363 372691031 /nfs/dbraw/zinc/69/10/31/372691031.db2.gz ANINEKYLUXVJON-VXGBXAGGSA-N 2 2 280.372 0.598 20 0 CCADLP C[NH+](C)CC1(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000635697561 372778580 /nfs/dbraw/zinc/77/85/80/372778580.db2.gz PNUPJRYWPZIRFN-CYBMUJFWSA-N 2 2 281.400 0.261 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1COC(=O)NC ZINC000496126091 284348890 /nfs/dbraw/zinc/34/88/90/284348890.db2.gz SNOMHERKRTUYSA-STQMWFEESA-N 2 2 287.404 0.510 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1COC(=O)NC ZINC000496126091 284348891 /nfs/dbraw/zinc/34/88/91/284348891.db2.gz SNOMHERKRTUYSA-STQMWFEESA-N 2 2 287.404 0.510 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1COC(=O)NC ZINC000496126091 284348892 /nfs/dbraw/zinc/34/88/92/284348892.db2.gz SNOMHERKRTUYSA-STQMWFEESA-N 2 2 287.404 0.510 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1COC(=O)NC ZINC000496126091 284348893 /nfs/dbraw/zinc/34/88/93/284348893.db2.gz SNOMHERKRTUYSA-STQMWFEESA-N 2 2 287.404 0.510 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)[nH+]1 ZINC000635819105 372952607 /nfs/dbraw/zinc/95/26/07/372952607.db2.gz VELHCQWZHSDAQT-NWDGAFQWSA-N 2 2 294.399 0.428 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)[nH+]1 ZINC000635819105 372952612 /nfs/dbraw/zinc/95/26/12/372952612.db2.gz VELHCQWZHSDAQT-NWDGAFQWSA-N 2 2 294.399 0.428 20 0 CCADLP C[C@H](C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)[NH+](C)C ZINC000635868601 373024514 /nfs/dbraw/zinc/02/45/14/373024514.db2.gz FWLRDLXHXUGSIG-GFCCVEGCSA-N 2 2 271.405 0.506 20 0 CCADLP C[C@H](C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)[NH+](C)C ZINC000635868601 373024519 /nfs/dbraw/zinc/02/45/19/373024519.db2.gz FWLRDLXHXUGSIG-GFCCVEGCSA-N 2 2 271.405 0.506 20 0 CCADLP O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635915726 373099361 /nfs/dbraw/zinc/09/93/61/373099361.db2.gz ZFCSRGIJVCATRK-YNEHKIRRSA-N 2 2 292.383 0.476 20 0 CCADLP O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635915726 373099373 /nfs/dbraw/zinc/09/93/73/373099373.db2.gz ZFCSRGIJVCATRK-YNEHKIRRSA-N 2 2 292.383 0.476 20 0 CCADLP O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635987682 373209953 /nfs/dbraw/zinc/20/99/53/373209953.db2.gz XNNXSUUHUUWQNN-FZMZJTMJSA-N 2 2 274.368 0.941 20 0 CCADLP O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635987682 373209962 /nfs/dbraw/zinc/20/99/62/373209962.db2.gz XNNXSUUHUUWQNN-FZMZJTMJSA-N 2 2 274.368 0.941 20 0 CCADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000636073273 373329466 /nfs/dbraw/zinc/32/94/66/373329466.db2.gz JUFGQFGMVDIWDO-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000636073273 373329470 /nfs/dbraw/zinc/32/94/70/373329470.db2.gz JUFGQFGMVDIWDO-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1 ZINC000636467708 373613796 /nfs/dbraw/zinc/61/37/96/373613796.db2.gz RBPLQIYFMSYSFF-CYBMUJFWSA-N 2 2 291.399 0.980 20 0 CCADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000636596379 373665911 /nfs/dbraw/zinc/66/59/11/373665911.db2.gz NANXPQGJTUBGPI-XBFCOCLRSA-N 2 2 289.383 0.734 20 0 CCADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000636596379 373665917 /nfs/dbraw/zinc/66/59/17/373665917.db2.gz NANXPQGJTUBGPI-XBFCOCLRSA-N 2 2 289.383 0.734 20 0 CCADLP C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000333934837 205846874 /nfs/dbraw/zinc/84/68/74/205846874.db2.gz IVRICTBSYIWZPC-HZSPNIEDSA-N 2 2 298.431 0.394 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000289493909 197375916 /nfs/dbraw/zinc/37/59/16/197375916.db2.gz CRPOQMLDRCLLAS-ZDUSSCGKSA-N 2 2 262.357 0.706 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000637440373 374153419 /nfs/dbraw/zinc/15/34/19/374153419.db2.gz IWUFEFTXUFSQKO-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000637440373 374153429 /nfs/dbraw/zinc/15/34/29/374153429.db2.gz IWUFEFTXUFSQKO-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)NC[C@@H]1COCC[NH+]1C ZINC000637440168 374154273 /nfs/dbraw/zinc/15/42/73/374154273.db2.gz GRFLUAWKPKGJQK-QWHCGFSZSA-N 2 2 284.404 0.053 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H]1COCC[NH+]1C ZINC000637440168 374154280 /nfs/dbraw/zinc/15/42/80/374154280.db2.gz GRFLUAWKPKGJQK-QWHCGFSZSA-N 2 2 284.404 0.053 20 0 CCADLP CC[C@H]1C[NH+](C)CCN1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637440168 374154285 /nfs/dbraw/zinc/15/42/85/374154285.db2.gz GRFLUAWKPKGJQK-QWHCGFSZSA-N 2 2 284.404 0.053 20 0 CCADLP CC[C@H]1C[NH+](C)CCN1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637440168 374154289 /nfs/dbraw/zinc/15/42/89/374154289.db2.gz GRFLUAWKPKGJQK-QWHCGFSZSA-N 2 2 284.404 0.053 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCC1CC[NH2+]CC1)CC2 ZINC000637805989 374336619 /nfs/dbraw/zinc/33/66/19/374336619.db2.gz RVRJHYAFTTWZPX-ZDUSSCGKSA-N 2 2 276.384 0.870 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)NCCn2cc[nH+]c2)[C@@H](C)CO1 ZINC000656543548 412821469 /nfs/dbraw/zinc/82/14/69/412821469.db2.gz SLHBYUPRJQODOE-QWHCGFSZSA-N 2 2 295.387 0.292 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCCn2cc[nH+]c2)[C@@H](C)CO1 ZINC000656543548 412821475 /nfs/dbraw/zinc/82/14/75/412821475.db2.gz SLHBYUPRJQODOE-QWHCGFSZSA-N 2 2 295.387 0.292 20 0 CCADLP C[C@@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CN(C)Cc1ccccc1 ZINC000637816436 374350970 /nfs/dbraw/zinc/35/09/70/374350970.db2.gz HSLGHMKFQZUIRL-UKRRQHHQSA-N 2 2 290.411 0.266 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@](C)(C[NH3+])C1CC1)CC2 ZINC000637843188 374395688 /nfs/dbraw/zinc/39/56/88/374395688.db2.gz UOANYCVLOVRPAO-IAQYHMDHSA-N 2 2 276.384 0.998 20 0 CCADLP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000637862259 374423743 /nfs/dbraw/zinc/42/37/43/374423743.db2.gz NFSQYZBDVJKQKK-NXEZZACHSA-N 2 2 250.346 0.957 20 0 CCADLP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000637862259 374423745 /nfs/dbraw/zinc/42/37/45/374423745.db2.gz NFSQYZBDVJKQKK-NXEZZACHSA-N 2 2 250.346 0.957 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2cccc3cnccc32)[C@H](C[NH3+])C1 ZINC000637864219 374425608 /nfs/dbraw/zinc/42/56/08/374425608.db2.gz OUCRWGINFUYDDI-OAHLLOKOSA-N 2 2 298.390 0.879 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2cccc3cnccc32)[C@H](C[NH3+])C1 ZINC000637864219 374425614 /nfs/dbraw/zinc/42/56/14/374425614.db2.gz OUCRWGINFUYDDI-OAHLLOKOSA-N 2 2 298.390 0.879 20 0 CCADLP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000334183970 206159937 /nfs/dbraw/zinc/15/99/37/206159937.db2.gz FRTQFBJAJPRGHG-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP CC(C)CC[C@@H]([NH3+])C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000638050099 374591369 /nfs/dbraw/zinc/59/13/69/374591369.db2.gz SGEBFDPNQUGVDD-CYBMUJFWSA-N 2 2 285.432 0.977 20 0 CCADLP COc1cccc([C@H]([NH3+])C(=O)NCC[NH+]2CCOCC2)c1 ZINC000638049012 374591990 /nfs/dbraw/zinc/59/19/90/374591990.db2.gz RNKHRHNJCOYPST-AWEZNQCLSA-N 2 2 293.367 0.143 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000638051689 374593007 /nfs/dbraw/zinc/59/30/07/374593007.db2.gz OOIZGNYRNKRHSN-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH2+][C@H](C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000638060794 374607074 /nfs/dbraw/zinc/60/70/74/374607074.db2.gz RGKAAKBNQQSWJK-LLVKDONJSA-N 2 2 260.341 0.991 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638129197 374697982 /nfs/dbraw/zinc/69/79/82/374697982.db2.gz WEXSEIHOOUPKGI-CYBMUJFWSA-N 3 2 280.416 0.176 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000638099052 374661087 /nfs/dbraw/zinc/66/10/87/374661087.db2.gz FABPEXCSLSECAH-TUAOUCFPSA-N 2 2 257.378 0.210 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(N)nc2N)[C@@H](C)C1 ZINC000638113898 374679732 /nfs/dbraw/zinc/67/97/32/374679732.db2.gz QROYSBWIVUHTDC-JQWIXIFHSA-N 2 2 278.404 0.464 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(N)nc2N)[C@@H](C)C1 ZINC000638113898 374679735 /nfs/dbraw/zinc/67/97/35/374679735.db2.gz QROYSBWIVUHTDC-JQWIXIFHSA-N 2 2 278.404 0.464 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(N)nc2N)[C@@H](C)C1 ZINC000638113898 374679743 /nfs/dbraw/zinc/67/97/43/374679743.db2.gz QROYSBWIVUHTDC-JQWIXIFHSA-N 2 2 278.404 0.464 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(N)nc2N)[C@@H](C)C1 ZINC000638113898 374679750 /nfs/dbraw/zinc/67/97/50/374679750.db2.gz QROYSBWIVUHTDC-JQWIXIFHSA-N 2 2 278.404 0.464 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000638143322 374714252 /nfs/dbraw/zinc/71/42/52/374714252.db2.gz ZANDYLPZDHSAJC-QJPTWQEYSA-N 2 2 260.341 0.866 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000638143322 374714258 /nfs/dbraw/zinc/71/42/58/374714258.db2.gz ZANDYLPZDHSAJC-QJPTWQEYSA-N 2 2 260.341 0.866 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@](C)(C[NH3+])C2)[nH+]1 ZINC000638220462 374807012 /nfs/dbraw/zinc/80/70/12/374807012.db2.gz QHCNMKGJOAGBSR-CYBMUJFWSA-N 2 2 250.346 0.712 20 0 CCADLP c1[nH+]c(CN2C[C@H]3C[NH2+]C[C@H]3C2)cc2c1OCCO2 ZINC000638186268 374770466 /nfs/dbraw/zinc/77/04/66/374770466.db2.gz PGCKPCLIZCETQZ-PHIMTYICSA-N 2 2 261.325 0.504 20 0 CCADLP c1nc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc2c1OCCO2 ZINC000638186268 374770473 /nfs/dbraw/zinc/77/04/73/374770473.db2.gz PGCKPCLIZCETQZ-PHIMTYICSA-N 2 2 261.325 0.504 20 0 CCADLP c1nc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc2c1OCCO2 ZINC000638186268 374770479 /nfs/dbraw/zinc/77/04/79/374770479.db2.gz PGCKPCLIZCETQZ-PHIMTYICSA-N 2 2 261.325 0.504 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[C@H]3CC[NH2+][C@@H]3C1)CC2 ZINC000638200052 374781145 /nfs/dbraw/zinc/78/11/45/374781145.db2.gz XQBFUZFDZVBORB-MGPQQGTHSA-N 2 2 288.395 0.964 20 0 CCADLP CO[C@H]1C[NH2+][C@](C)(C(=O)N(C)Cc2[nH+]ccn2C)C1 ZINC000638270713 374871616 /nfs/dbraw/zinc/87/16/16/374871616.db2.gz GOYWWAKWPLYYAZ-MFKMUULPSA-N 2 2 266.345 0.146 20 0 CCADLP C[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)[C@H]1CCC[NH2+]1 ZINC000574563318 335029640 /nfs/dbraw/zinc/02/96/40/335029640.db2.gz ZYTTVDAIUVHDJI-FRRDWIJNSA-N 2 2 289.445 0.531 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000638287335 374894240 /nfs/dbraw/zinc/89/42/40/374894240.db2.gz WTFUTFFXAQDLAZ-LLVKDONJSA-N 2 2 277.372 0.432 20 0 CCADLP CC(C)(C[NH2+]CCCn1cc[nH+]c1)N1CCOCC1 ZINC000638286546 374894568 /nfs/dbraw/zinc/89/45/68/374894568.db2.gz PKCDWYXINWTHRO-UHFFFAOYSA-N 2 2 266.389 0.974 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000638287338 374895589 /nfs/dbraw/zinc/89/55/89/374895589.db2.gz WTFUTFFXAQDLAZ-NSHDSACASA-N 2 2 277.372 0.432 20 0 CCADLP CCN(CC[NH3+])C(=O)[C@@H]([NH3+])CN(C)Cc1ccccc1 ZINC000638512733 375102921 /nfs/dbraw/zinc/10/29/21/375102921.db2.gz KWBSMGLIXBJWRR-AWEZNQCLSA-N 2 2 278.400 0.253 20 0 CCADLP C[NH2+]CCOCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000638576655 375156111 /nfs/dbraw/zinc/15/61/11/375156111.db2.gz PNXJPUKPERCDCE-NSHDSACASA-N 2 2 254.334 0.186 20 0 CCADLP O=C1C[C@@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)CCCN1 ZINC000638582997 375162617 /nfs/dbraw/zinc/16/26/17/375162617.db2.gz WNHPRKHFXJTVMB-QWHCGFSZSA-N 2 2 251.374 0.729 20 0 CCADLP O=C1C[C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)CCCN1 ZINC000638582997 375162621 /nfs/dbraw/zinc/16/26/21/375162621.db2.gz WNHPRKHFXJTVMB-QWHCGFSZSA-N 2 2 251.374 0.729 20 0 CCADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2C)[C@]12CCCO2 ZINC000638593864 375175670 /nfs/dbraw/zinc/17/56/70/375175670.db2.gz ALZPQMPOBCNEOX-KLHDSHLOSA-N 2 2 297.443 0.548 20 0 CCADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)[C@]12CCCO2 ZINC000638593864 375175677 /nfs/dbraw/zinc/17/56/77/375175677.db2.gz ALZPQMPOBCNEOX-KLHDSHLOSA-N 2 2 297.443 0.548 20 0 CCADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@H+](C)CCN2C)[C@]12CCCO2 ZINC000638593871 375176077 /nfs/dbraw/zinc/17/60/77/375176077.db2.gz ALZPQMPOBCNEOX-ZJIFWQFVSA-N 2 2 297.443 0.548 20 0 CCADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@@H+](C)CCN2C)[C@]12CCCO2 ZINC000638593871 375176080 /nfs/dbraw/zinc/17/60/80/375176080.db2.gz ALZPQMPOBCNEOX-ZJIFWQFVSA-N 2 2 297.443 0.548 20 0 CCADLP CO[C@@H](C[NH2+]C[C@@H]1C[N@H+](C)CCN1C)CC(C)C ZINC000638597192 375177183 /nfs/dbraw/zinc/17/71/83/375177183.db2.gz VKJRERFKTPMETP-ZIAGYGMSSA-N 2 2 257.422 0.883 20 0 CCADLP CO[C@@H](C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C)CC(C)C ZINC000638597192 375177185 /nfs/dbraw/zinc/17/71/85/375177185.db2.gz VKJRERFKTPMETP-ZIAGYGMSSA-N 2 2 257.422 0.883 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638608504 375189864 /nfs/dbraw/zinc/18/98/64/375189864.db2.gz BJTSXOWHCLOUGN-XQQFMLRXSA-N 2 2 269.389 0.067 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000638608504 375189868 /nfs/dbraw/zinc/18/98/68/375189868.db2.gz BJTSXOWHCLOUGN-XQQFMLRXSA-N 2 2 269.389 0.067 20 0 CCADLP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638608843 375189955 /nfs/dbraw/zinc/18/99/55/375189955.db2.gz CEPJYHRCHXTHQI-QWHCGFSZSA-N 2 2 271.405 0.444 20 0 CCADLP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638608843 375189958 /nfs/dbraw/zinc/18/99/58/375189958.db2.gz CEPJYHRCHXTHQI-QWHCGFSZSA-N 2 2 271.405 0.444 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)c1cccc2c1CC[NH2+]C2 ZINC000638611653 375191579 /nfs/dbraw/zinc/19/15/79/375191579.db2.gz PBYMECZMUIMZTQ-CYBMUJFWSA-N 2 2 289.379 0.393 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)c1cccc2c1CC[NH2+]C2 ZINC000638611653 375191582 /nfs/dbraw/zinc/19/15/82/375191582.db2.gz PBYMECZMUIMZTQ-CYBMUJFWSA-N 2 2 289.379 0.393 20 0 CCADLP Cc1ccc([C@H]([NH3+])C(=O)NC[C@@H]2COCC[N@H+]2C)cc1 ZINC000638610790 375192557 /nfs/dbraw/zinc/19/25/57/375192557.db2.gz KUTZKNBBLZUDDB-KGLIPLIRSA-N 2 2 277.368 0.442 20 0 CCADLP Cc1ccc([C@H]([NH3+])C(=O)NC[C@@H]2COCC[N@@H+]2C)cc1 ZINC000638610790 375192562 /nfs/dbraw/zinc/19/25/62/375192562.db2.gz KUTZKNBBLZUDDB-KGLIPLIRSA-N 2 2 277.368 0.442 20 0 CCADLP C[C@@H](C[NH2+]CCCc1cnn(C)c1)C[NH+]1CCOCC1 ZINC000638673999 375277685 /nfs/dbraw/zinc/27/76/85/375277685.db2.gz BLQTZXQEQQMSKQ-AWEZNQCLSA-N 2 2 280.416 0.911 20 0 CCADLP C[C@@H](C[NH2+]C1CC[NH+](CC(C)(C)O)CC1)S(C)(=O)=O ZINC000638805591 375377149 /nfs/dbraw/zinc/37/71/49/375377149.db2.gz HHASOOYOOSJJFJ-NSHDSACASA-N 2 2 292.445 0.244 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC[C@@H]1CNc2ccccc21 ZINC000638872196 375416912 /nfs/dbraw/zinc/41/69/12/375416912.db2.gz GFYBDYLTWFHATE-OCCSQVGLSA-N 2 2 290.411 0.981 20 0 CCADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ncccc1O ZINC000638985119 375497663 /nfs/dbraw/zinc/49/76/63/375497663.db2.gz ZBNUFGSQVPKRHU-UHFFFAOYSA-N 2 2 299.334 0.844 20 0 CCADLP C[NH2+][C@@H](C)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000054074769 284520987 /nfs/dbraw/zinc/52/09/87/284520987.db2.gz JHMLVAYJDINBTA-LBPRGKRZSA-N 2 2 262.357 0.334 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639003557 375512960 /nfs/dbraw/zinc/51/29/60/375512960.db2.gz IAENLJPUQZUGFJ-CQSZACIVSA-N 2 2 291.399 0.147 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+](CCc2cnccn2)CC1)[C@H](C)[NH3+] ZINC000639004966 375514559 /nfs/dbraw/zinc/51/45/59/375514559.db2.gz RZPAEKLQAIJHME-OLZOCXBDSA-N 2 2 291.399 0.147 20 0 CCADLP CCn1ncnc1C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000639123986 375588408 /nfs/dbraw/zinc/58/84/08/375588408.db2.gz WFEWISSLBCFTSN-CYBMUJFWSA-N 2 2 281.404 0.889 20 0 CCADLP CCn1ncnc1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000639123986 375588410 /nfs/dbraw/zinc/58/84/10/375588410.db2.gz WFEWISSLBCFTSN-CYBMUJFWSA-N 2 2 281.404 0.889 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cc3c(cn2)OCCO3)C1 ZINC000639049048 375547825 /nfs/dbraw/zinc/54/78/25/375547825.db2.gz GZWXWAJKSIJOHM-CQSZACIVSA-N 2 2 279.340 0.009 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cc3c(cn2)OCCO3)C1 ZINC000639049048 375547830 /nfs/dbraw/zinc/54/78/30/375547830.db2.gz GZWXWAJKSIJOHM-CQSZACIVSA-N 2 2 279.340 0.009 20 0 CCADLP CO[C@@]1(C[NH2+][C@H]2CCn3cc[nH+]c3C2)CCOC1 ZINC000639071903 375559045 /nfs/dbraw/zinc/55/90/45/375559045.db2.gz QUDKQVVYNGLCFC-WCQYABFASA-N 2 2 251.330 0.593 20 0 CCADLP C[C@H]1C[C@@H](NCC[NH+]2CCCOCC2)CC[N@@H+]1C ZINC000639174562 375618784 /nfs/dbraw/zinc/61/87/84/375618784.db2.gz CFPXKWQOWQGTMV-KBPBESRZSA-N 2 2 255.406 0.781 20 0 CCADLP C[C@H]1C[C@@H](NCC[NH+]2CCCOCC2)CC[N@H+]1C ZINC000639174562 375618792 /nfs/dbraw/zinc/61/87/92/375618792.db2.gz CFPXKWQOWQGTMV-KBPBESRZSA-N 2 2 255.406 0.781 20 0 CCADLP C[C@H]1C[C@@H](NCC[N@@H+]2CCCOCC2)CC[NH+]1C ZINC000639174562 375618799 /nfs/dbraw/zinc/61/87/99/375618799.db2.gz CFPXKWQOWQGTMV-KBPBESRZSA-N 2 2 255.406 0.781 20 0 CCADLP C[C@H]1C[C@@H](NCC[N@H+]2CCCOCC2)CC[NH+]1C ZINC000639174562 375618806 /nfs/dbraw/zinc/61/88/06/375618806.db2.gz CFPXKWQOWQGTMV-KBPBESRZSA-N 2 2 255.406 0.781 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cnc(N)nc1N ZINC000639175536 375619651 /nfs/dbraw/zinc/61/96/51/375619651.db2.gz QODXCXIGOATHGR-UHFFFAOYSA-N 2 2 261.333 0.020 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cnc(N)nc1N ZINC000639175536 375619655 /nfs/dbraw/zinc/61/96/55/375619655.db2.gz QODXCXIGOATHGR-UHFFFAOYSA-N 2 2 261.333 0.020 20 0 CCADLP C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1c[nH+]c(N)nc1N ZINC000639191835 375626793 /nfs/dbraw/zinc/62/67/93/375626793.db2.gz XSJGCGBYGQVQDF-CMPLNLGQSA-N 2 2 276.388 0.360 20 0 CCADLP Cc1cc(C[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n(C)n1 ZINC000574631005 335035094 /nfs/dbraw/zinc/03/50/94/335035094.db2.gz BTIPDEUOOZJOHL-GUTXKFCHSA-N 2 2 296.415 0.288 20 0 CCADLP Cc1cc(C[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)n(C)n1 ZINC000574631005 335035095 /nfs/dbraw/zinc/03/50/95/335035095.db2.gz BTIPDEUOOZJOHL-GUTXKFCHSA-N 2 2 296.415 0.288 20 0 CCADLP CC(C)(CN1CC[NH+]([C@@H]2CCOC2)CC1)[NH+]1CCOCC1 ZINC000639309297 375716030 /nfs/dbraw/zinc/71/60/30/375716030.db2.gz JLKZRRJEAKTEHT-OAHLLOKOSA-N 2 2 297.443 0.504 20 0 CCADLP COc1cc(C[C@H](C)[NH2+]CC[N@@H+]2CC[C@H](O)C2)ccn1 ZINC000639357216 375756133 /nfs/dbraw/zinc/75/61/33/375756133.db2.gz LOWGMMRYVUXVKH-JSGCOSHPSA-N 2 2 279.384 0.677 20 0 CCADLP COc1cc(C[C@H](C)[NH2+]CC[N@H+]2CC[C@H](O)C2)ccn1 ZINC000639357216 375756137 /nfs/dbraw/zinc/75/61/37/375756137.db2.gz LOWGMMRYVUXVKH-JSGCOSHPSA-N 2 2 279.384 0.677 20 0 CCADLP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCc1c[nH+]cn1C ZINC000639474688 375795472 /nfs/dbraw/zinc/79/54/72/375795472.db2.gz QZEPAGJQSNNHFP-GHMZBOCLSA-N 2 2 250.346 0.548 20 0 CCADLP C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1CCc1c[nH+]cn1C ZINC000639474688 375795473 /nfs/dbraw/zinc/79/54/73/375795473.db2.gz QZEPAGJQSNNHFP-GHMZBOCLSA-N 2 2 250.346 0.548 20 0 CCADLP Cn1c[nH+]cc1CCN1CC[N@H+](CCO)C(C)(C)C1 ZINC000639601279 375852830 /nfs/dbraw/zinc/85/28/30/375852830.db2.gz DPUQSXSZYYDSMB-UHFFFAOYSA-N 2 2 266.389 0.351 20 0 CCADLP Cn1c[nH+]cc1CCN1CC[N@@H+](CCO)C(C)(C)C1 ZINC000639601279 375852832 /nfs/dbraw/zinc/85/28/32/375852832.db2.gz DPUQSXSZYYDSMB-UHFFFAOYSA-N 2 2 266.389 0.351 20 0 CCADLP C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1CCc1c[nH+]cn1C ZINC000639640314 375879766 /nfs/dbraw/zinc/87/97/66/375879766.db2.gz CCRPQLLIICENFH-HIFRSBDPSA-N 2 2 278.400 0.758 20 0 CCADLP C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1CCc1c[nH+]cn1C ZINC000639640314 375879770 /nfs/dbraw/zinc/87/97/70/375879770.db2.gz CCRPQLLIICENFH-HIFRSBDPSA-N 2 2 278.400 0.758 20 0 CCADLP Cc1cc(C)c(C[N@@H+]2C[C@H](O)[C@H](CO)C2)c(C)[nH+]1 ZINC000639670244 375901501 /nfs/dbraw/zinc/90/15/01/375901501.db2.gz DIBNORHCYPOAFD-JSGCOSHPSA-N 2 2 250.342 0.792 20 0 CCADLP Cc1cc(C)c(C[N@H+]2C[C@H](O)[C@H](CO)C2)c(C)[nH+]1 ZINC000639670244 375901507 /nfs/dbraw/zinc/90/15/07/375901507.db2.gz DIBNORHCYPOAFD-JSGCOSHPSA-N 2 2 250.342 0.792 20 0 CCADLP Cc1nccnc1C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000639625659 375870517 /nfs/dbraw/zinc/87/05/17/375870517.db2.gz CRVIMXIIRNCDPY-UHFFFAOYSA-N 2 2 258.329 0.830 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CCC[C@@](O)(C[NH+](C)C)C2)CCO1 ZINC000639769319 375999408 /nfs/dbraw/zinc/99/94/08/375999408.db2.gz XUCMUZFJCLGHQR-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CCC[C@@](O)(C[NH+](C)C)C2)CCO1 ZINC000639769319 375999416 /nfs/dbraw/zinc/99/94/16/375999416.db2.gz XUCMUZFJCLGHQR-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)CCO1 ZINC000639769319 375999423 /nfs/dbraw/zinc/99/94/23/375999423.db2.gz XUCMUZFJCLGHQR-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)CCO1 ZINC000639769319 375999429 /nfs/dbraw/zinc/99/94/29/375999429.db2.gz XUCMUZFJCLGHQR-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP c1cnc(CC[NH+]2CCC([NH+]3CCOCC3)CC2)cn1 ZINC000639828900 376037680 /nfs/dbraw/zinc/03/76/80/376037680.db2.gz CDZJXAHXBLJYHR-UHFFFAOYSA-N 2 2 276.384 0.816 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639763681 375990270 /nfs/dbraw/zinc/99/02/70/375990270.db2.gz RXFHQEMFKDKJLY-AWEZNQCLSA-N 3 2 266.389 0.351 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639763681 375990273 /nfs/dbraw/zinc/99/02/73/375990273.db2.gz RXFHQEMFKDKJLY-AWEZNQCLSA-N 3 2 266.389 0.351 20 0 CCADLP 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COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](CO)C[C@@H]1C ZINC000640225621 376288560 /nfs/dbraw/zinc/28/85/60/376288560.db2.gz MQNBTFGMJPMCMY-MJBXVCDLSA-N 2 2 274.405 0.018 20 0 CCADLP C[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@@H]1C(C)(C)C ZINC000640629193 376474896 /nfs/dbraw/zinc/47/48/96/376474896.db2.gz UDOUMFBDCYACHM-CHWSQXEVSA-N 2 2 283.416 0.506 20 0 CCADLP C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@@H]1C(C)(C)C ZINC000640629193 376474901 /nfs/dbraw/zinc/47/49/01/376474901.db2.gz UDOUMFBDCYACHM-CHWSQXEVSA-N 2 2 283.416 0.506 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)C1 ZINC000640629193 376474904 /nfs/dbraw/zinc/47/49/04/376474904.db2.gz UDOUMFBDCYACHM-CHWSQXEVSA-N 2 2 283.416 0.506 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)C1 ZINC000640629193 376474907 /nfs/dbraw/zinc/47/49/07/376474907.db2.gz UDOUMFBDCYACHM-CHWSQXEVSA-N 2 2 283.416 0.506 20 0 CCADLP CCc1[nH+]ccn1Cc1cn(CCn2cc[nH+]c2)nn1 ZINC000641122870 376798114 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377236219 /nfs/dbraw/zinc/23/62/19/377236219.db2.gz OSPQFGMOTLFZBQ-UHFFFAOYSA-N 2 2 283.357 0.219 20 0 CCADLP CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641541509 377243270 /nfs/dbraw/zinc/24/32/70/377243270.db2.gz QLKBLORHUJBLIQ-LBPRGKRZSA-N 2 2 286.401 0.239 20 0 CCADLP CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641541509 377243280 /nfs/dbraw/zinc/24/32/80/377243280.db2.gz QLKBLORHUJBLIQ-LBPRGKRZSA-N 2 2 286.401 0.239 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNc1cc[nH+]cc1F ZINC000641657334 377371335 /nfs/dbraw/zinc/37/13/35/377371335.db2.gz TZWDZUSQFIYSGR-UHFFFAOYSA-N 3 2 254.353 0.938 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNc1cc[nH+]cc1F ZINC000641657334 377371344 /nfs/dbraw/zinc/37/13/44/377371344.db2.gz TZWDZUSQFIYSGR-UHFFFAOYSA-N 3 2 254.353 0.938 20 0 CCADLP NS(=O)(=O)c1ccc(C[NH2+]CCC[NH+]2CCC2)o1 ZINC000641742521 377432987 /nfs/dbraw/zinc/43/29/87/377432987.db2.gz HIGRQAXYCOZTCL-UHFFFAOYSA-N 2 2 273.358 0.112 20 0 CCADLP COCc1cc(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)no1 ZINC000641718004 377416771 /nfs/dbraw/zinc/41/67/71/377416771.db2.gz UJCSYKIVIXVMQD-LBPRGKRZSA-N 2 2 282.388 0.547 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2ccns2)C1 ZINC000641797273 377467422 /nfs/dbraw/zinc/46/74/22/377467422.db2.gz AAEDDSSUGIIALU-LLVKDONJSA-N 2 2 280.397 0.539 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2ccns2)C1 ZINC000641797273 377467425 /nfs/dbraw/zinc/46/74/25/377467425.db2.gz AAEDDSSUGIIALU-LLVKDONJSA-N 2 2 280.397 0.539 20 0 CCADLP CCCCn1nnnc1C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641806429 377478029 /nfs/dbraw/zinc/47/80/29/377478029.db2.gz PKRSHMQYCRIMRY-UWVGGRQHSA-N 2 2 252.366 0.689 20 0 CCADLP O=C(COC1C[NH2+]C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000430679659 249023080 /nfs/dbraw/zinc/02/30/80/249023080.db2.gz WGXNVVUPNDABSP-SNVBAGLBSA-N 2 2 264.329 0.104 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)n1C ZINC000514949897 249114798 /nfs/dbraw/zinc/11/47/98/249114798.db2.gz LHPBPYIEZLLLCP-CYBMUJFWSA-N 2 2 288.355 0.357 20 0 CCADLP CC1CC[NH+](C[C@@H](O)C[NH2+]C[C@H](O)C(F)(F)F)CC1 ZINC000516182162 249153847 /nfs/dbraw/zinc/15/38/47/249153847.db2.gz LDQVHOMTWCVFQE-QWRGUYRKSA-N 2 2 284.322 0.592 20 0 CCADLP C[C@@H](C(=O)Nc1nccs1)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000516185450 249155903 /nfs/dbraw/zinc/15/59/03/249155903.db2.gz BKHCNHLNGAYYIZ-VIFPVBQESA-N 2 2 284.385 0.256 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccccn1 ZINC000516292953 249159618 /nfs/dbraw/zinc/15/96/18/249159618.db2.gz OMGITXVQBNJZBY-VXGBXAGGSA-N 2 2 262.357 0.286 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccccn1 ZINC000516292953 249159619 /nfs/dbraw/zinc/15/96/19/249159619.db2.gz OMGITXVQBNJZBY-VXGBXAGGSA-N 2 2 262.357 0.286 20 0 CCADLP C[C@@H](CCC[NH3+])NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000516492636 249168216 /nfs/dbraw/zinc/16/82/16/249168216.db2.gz QJJNALTVHDQXDC-JTQLQIEISA-N 2 2 289.339 0.516 20 0 CCADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000517932364 249234286 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Cc1[nH+]cc(C[NH2+]CCCN2CCC[N@H+](C)CC2)n1C ZINC000657349100 412964705 /nfs/dbraw/zinc/96/47/05/412964705.db2.gz BDQKKWVMHDKOAL-UHFFFAOYSA-N 3 2 279.432 0.846 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)n1C ZINC000657349100 412964709 /nfs/dbraw/zinc/96/47/09/412964709.db2.gz BDQKKWVMHDKOAL-UHFFFAOYSA-N 3 2 279.432 0.846 20 0 CCADLP CCC[C@H](C)[C@H](CO)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000571331640 291807662 /nfs/dbraw/zinc/80/76/62/291807662.db2.gz REBXJHAJAQTKMO-STQMWFEESA-N 2 2 271.405 0.147 20 0 CCADLP O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000574787162 335047152 /nfs/dbraw/zinc/04/71/52/335047152.db2.gz MNXNQYNNPYHGLM-SDDRHHMPSA-N 2 2 289.383 0.803 20 0 CCADLP O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000574787162 335047154 /nfs/dbraw/zinc/04/71/54/335047154.db2.gz MNXNQYNNPYHGLM-SDDRHHMPSA-N 2 2 289.383 0.803 20 0 CCADLP COCCN1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC000449384575 532984714 /nfs/dbraw/zinc/98/47/14/532984714.db2.gz BXDPLCKPCCUEIT-LSDHHAIUSA-N 2 2 285.432 0.144 20 0 CCADLP COCCN1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)C1 ZINC000449384575 532984723 /nfs/dbraw/zinc/98/47/23/532984723.db2.gz BXDPLCKPCCUEIT-LSDHHAIUSA-N 2 2 285.432 0.144 20 0 CCADLP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000449089521 533009877 /nfs/dbraw/zinc/00/98/77/533009877.db2.gz KXFZQYDTAKJGIU-CHWSQXEVSA-N 2 2 285.432 0.848 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000574810750 335047777 /nfs/dbraw/zinc/04/77/77/335047777.db2.gz NDYQHZDHPOHURC-ZIAGYGMSSA-N 3 2 254.422 0.339 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000574810750 335047779 /nfs/dbraw/zinc/04/77/79/335047779.db2.gz NDYQHZDHPOHURC-ZIAGYGMSSA-N 3 2 254.422 0.339 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1)[C@H]1CCC[NH2+]1 ZINC000571872453 291842288 /nfs/dbraw/zinc/84/22/88/291842288.db2.gz CKYOSVOZIYQEGS-RVMXOQNASA-N 2 2 269.389 0.352 20 0 CCADLP O[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)C(F)(F)F ZINC000248572272 285069485 /nfs/dbraw/zinc/06/94/85/285069485.db2.gz MIYXKFCHQUESHJ-GHMZBOCLSA-N 2 2 282.306 0.564 20 0 CCADLP O[C@H](C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)C(F)(F)F ZINC000248572272 285069488 /nfs/dbraw/zinc/06/94/88/285069488.db2.gz MIYXKFCHQUESHJ-GHMZBOCLSA-N 2 2 282.306 0.564 20 0 CCADLP NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657372039 412979173 /nfs/dbraw/zinc/97/91/73/412979173.db2.gz ZUBVVMNZAAFOQB-WDEREUQCSA-N 2 2 262.357 0.963 20 0 CCADLP [NH3+]C1CC[NH+](Cc2cnc(N3CCCC3)nc2)CC1 ZINC000574811094 335049081 /nfs/dbraw/zinc/04/90/81/335049081.db2.gz VMXYUXQXGIGRPH-UHFFFAOYSA-N 2 2 261.373 1.000 20 0 CCADLP COc1ccc(C)cc1C[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000259022740 285153477 /nfs/dbraw/zinc/15/34/77/285153477.db2.gz YQODUEHOCRAGNZ-AWEZNQCLSA-N 2 2 263.385 0.997 20 0 CCADLP C[C@@H]1CCC[N@H+](CCCS(=O)(=O)N(C)C)[C@@H]1C[NH3+] ZINC000430570336 296388660 /nfs/dbraw/zinc/38/86/60/296388660.db2.gz GFDUTYVBJSQNTL-VXGBXAGGSA-N 2 2 277.434 0.327 20 0 CCADLP C[C@@H]1CCC[N@@H+](CCCS(=O)(=O)N(C)C)[C@@H]1C[NH3+] ZINC000430570336 296388662 /nfs/dbraw/zinc/38/86/62/296388662.db2.gz GFDUTYVBJSQNTL-VXGBXAGGSA-N 2 2 277.434 0.327 20 0 CCADLP C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000393683521 285211260 /nfs/dbraw/zinc/21/12/60/285211260.db2.gz KUFAEHBIFPLVLU-RKDXNWHRSA-N 2 2 267.295 0.785 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC000288222870 197030113 /nfs/dbraw/zinc/03/01/13/197030113.db2.gz ZSYRCLGENQXBOR-GFCCVEGCSA-N 2 2 280.372 0.521 20 0 CCADLP COCC[N@H+]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC000288222870 197030115 /nfs/dbraw/zinc/03/01/15/197030115.db2.gz ZSYRCLGENQXBOR-GFCCVEGCSA-N 2 2 280.372 0.521 20 0 CCADLP Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c(=O)n(C)c1=O ZINC000657524417 413016324 /nfs/dbraw/zinc/01/63/24/413016324.db2.gz LABDOLREQPJGKN-LBPRGKRZSA-N 2 2 294.399 0.046 20 0 CCADLP Cn1cc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c(=O)n(C)c1=O ZINC000657524417 413016327 /nfs/dbraw/zinc/01/63/27/413016327.db2.gz LABDOLREQPJGKN-LBPRGKRZSA-N 2 2 294.399 0.046 20 0 CCADLP COCc1ccc(CNC(=O)C[N@H+](C)C2CC([NH3+])C2)cc1 ZINC000420326975 285241844 /nfs/dbraw/zinc/24/18/44/285241844.db2.gz FWZDPFLKGZALNG-UHFFFAOYSA-N 2 2 291.395 0.871 20 0 CCADLP COCc1ccc(CNC(=O)C[N@@H+](C)C2CC([NH3+])C2)cc1 ZINC000420326975 285241848 /nfs/dbraw/zinc/24/18/48/285241848.db2.gz FWZDPFLKGZALNG-UHFFFAOYSA-N 2 2 291.395 0.871 20 0 CCADLP CO[C@@H](C[NH2+]Cc1c[nH+]c(C)n1C)[C@@H]1CCOC1 ZINC000657540448 413021729 /nfs/dbraw/zinc/02/17/29/413021729.db2.gz HALXIQJNFYWCEO-YPMHNXCESA-N 2 2 253.346 0.870 20 0 CCADLP CN(C)[C@@H](C(=O)NCCC[NH+](C)C)c1c[nH+]cn1C ZINC000281304674 195189647 /nfs/dbraw/zinc/18/96/47/195189647.db2.gz ZBDQOQWKOANNNQ-GFCCVEGCSA-N 2 2 267.377 0.091 20 0 CCADLP O=C1N[C@H]2CC[N@H+](CCn3cc[nH+]c3)C[C@@H]2CO1 ZINC000281345947 195206512 /nfs/dbraw/zinc/20/65/12/195206512.db2.gz MUUOKYKLUYFERO-MNOVXSKESA-N 2 2 250.302 0.313 20 0 CCADLP O=C1N[C@H]2CC[N@@H+](CCn3cc[nH+]c3)C[C@@H]2CO1 ZINC000281345947 195206513 /nfs/dbraw/zinc/20/65/13/195206513.db2.gz MUUOKYKLUYFERO-MNOVXSKESA-N 2 2 250.302 0.313 20 0 CCADLP CN(C)[C@@H](C(=O)N1CC[N@H+](C)C(C)(C)C1)c1c[nH+]cn1C ZINC000521458383 285279866 /nfs/dbraw/zinc/27/98/66/285279866.db2.gz HEGVYFBCGPVVKK-CYBMUJFWSA-N 2 2 293.415 0.575 20 0 CCADLP CN(C)[C@@H](C(=O)N1CC[N@@H+](C)C(C)(C)C1)c1c[nH+]cn1C ZINC000521458383 285279868 /nfs/dbraw/zinc/27/98/68/285279868.db2.gz HEGVYFBCGPVVKK-CYBMUJFWSA-N 2 2 293.415 0.575 20 0 CCADLP COC[C@]1(C)CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000451186723 533226269 /nfs/dbraw/zinc/22/62/69/533226269.db2.gz FOGBBZIDTTWJIR-CQSZACIVSA-N 2 2 269.389 0.119 20 0 CCADLP COC[C@]1(C)CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000451186723 533226275 /nfs/dbraw/zinc/22/62/75/533226275.db2.gz FOGBBZIDTTWJIR-CQSZACIVSA-N 2 2 269.389 0.119 20 0 CCADLP C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC([NH3+])CC2)C1 ZINC000036754737 388843425 /nfs/dbraw/zinc/84/34/25/388843425.db2.gz LDTZOTZSFBSUNC-RYUDHWBXSA-N 2 2 253.390 0.914 20 0 CCADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[NH2+]CC1 ZINC000026029274 388820363 /nfs/dbraw/zinc/82/03/63/388820363.db2.gz PYVIEYKBGLOQRH-UHFFFAOYSA-N 2 2 256.309 0.918 20 0 CCADLP Cc1ncc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)s1 ZINC000040998050 388859523 /nfs/dbraw/zinc/85/95/23/388859523.db2.gz PUNGTPAGXIWIKR-NSHDSACASA-N 2 2 255.387 0.998 20 0 CCADLP C[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)[C@H](C(N)=O)C1 ZINC000187380556 388879993 /nfs/dbraw/zinc/87/99/93/388879993.db2.gz SARIBNMAYFTFCY-NEPJUHHUSA-N 2 2 250.346 0.859 20 0 CCADLP C[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)[C@H](C(N)=O)C1 ZINC000187380556 388879996 /nfs/dbraw/zinc/87/99/96/388879996.db2.gz SARIBNMAYFTFCY-NEPJUHHUSA-N 2 2 250.346 0.859 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCO)[C@H](C)C1 ZINC000187295649 388875448 /nfs/dbraw/zinc/87/54/48/388875448.db2.gz RPSMIWYKHLFNHF-ZIAGYGMSSA-N 2 2 283.416 0.386 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCO)[C@H](C)C1 ZINC000187295649 388875451 /nfs/dbraw/zinc/87/54/51/388875451.db2.gz RPSMIWYKHLFNHF-ZIAGYGMSSA-N 2 2 283.416 0.386 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000187295649 388875452 /nfs/dbraw/zinc/87/54/52/388875452.db2.gz RPSMIWYKHLFNHF-ZIAGYGMSSA-N 2 2 283.416 0.386 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000187295649 388875454 /nfs/dbraw/zinc/87/54/54/388875454.db2.gz RPSMIWYKHLFNHF-ZIAGYGMSSA-N 2 2 283.416 0.386 20 0 CCADLP CCC[N@@H+]1CC[C@@H](CNC(=O)NCCn2cc[nH+]c2)C1 ZINC000048920998 388910492 /nfs/dbraw/zinc/91/04/92/388910492.db2.gz DRIUKYMMZSUTBV-ZDUSSCGKSA-N 2 2 279.388 0.914 20 0 CCADLP CCC[N@H+]1CC[C@@H](CNC(=O)NCCn2cc[nH+]c2)C1 ZINC000048920998 388910493 /nfs/dbraw/zinc/91/04/93/388910493.db2.gz DRIUKYMMZSUTBV-ZDUSSCGKSA-N 2 2 279.388 0.914 20 0 CCADLP C[C@H]1C[NH+](CCCNC(=O)c2coc(C[NH3+])c2)C[C@H](C)O1 ZINC000188052744 388911253 /nfs/dbraw/zinc/91/12/53/388911253.db2.gz UIBXAABFRHQEAI-RYUDHWBXSA-N 2 2 295.383 0.967 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000291042433 388916678 /nfs/dbraw/zinc/91/66/78/388916678.db2.gz OEPUAGMQKTWZEN-SMDDNHRTSA-N 2 2 289.383 0.891 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000291042433 388916680 /nfs/dbraw/zinc/91/66/80/388916680.db2.gz OEPUAGMQKTWZEN-SMDDNHRTSA-N 2 2 289.383 0.891 20 0 CCADLP C[C@@H](CNc1cc(N2CCOCC2)nc[nH+]1)C[NH+](C)C ZINC000291675655 388933009 /nfs/dbraw/zinc/93/30/09/388933009.db2.gz DTEIMAHYEHZIMO-LBPRGKRZSA-N 2 2 279.388 0.923 20 0 CCADLP C[C@@H](CNc1cc(N2CCOCC2)[nH+]cn1)C[NH+](C)C ZINC000291675655 388933011 /nfs/dbraw/zinc/93/30/11/388933011.db2.gz DTEIMAHYEHZIMO-LBPRGKRZSA-N 2 2 279.388 0.923 20 0 CCADLP C[C@H](CNc1cc(N2CCOCC2)nc[nH+]1)C[NH+](C)C ZINC000291675654 388933151 /nfs/dbraw/zinc/93/31/51/388933151.db2.gz DTEIMAHYEHZIMO-GFCCVEGCSA-N 2 2 279.388 0.923 20 0 CCADLP C[C@H](CNc1cc(N2CCOCC2)[nH+]cn1)C[NH+](C)C ZINC000291675654 388933155 /nfs/dbraw/zinc/93/31/55/388933155.db2.gz DTEIMAHYEHZIMO-GFCCVEGCSA-N 2 2 279.388 0.923 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000189198606 388951195 /nfs/dbraw/zinc/95/11/95/388951195.db2.gz QTOMRGQORJLVBZ-KBXIAJHMSA-N 2 2 297.443 0.773 20 0 CCADLP C[C@H]1CN(Cc2[nH]cc[nH+]2)CC[N@@H+]1CC(C)(C)O ZINC000189928670 388977784 /nfs/dbraw/zinc/97/77/84/388977784.db2.gz WDPDKXAPOXUYAV-NSHDSACASA-N 2 2 252.362 0.687 20 0 CCADLP C[C@H]1CN(Cc2[nH]cc[nH+]2)CC[N@H+]1CC(C)(C)O ZINC000189928670 388977786 /nfs/dbraw/zinc/97/77/86/388977786.db2.gz WDPDKXAPOXUYAV-NSHDSACASA-N 2 2 252.362 0.687 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000295247897 388997542 /nfs/dbraw/zinc/99/75/42/388997542.db2.gz PYCZQFBBZQGOCE-NSHDSACASA-N 2 2 259.313 0.734 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCOCC1 ZINC000088397288 389013039 /nfs/dbraw/zinc/01/30/39/389013039.db2.gz PFSIFAWTCARIHT-KBPBESRZSA-N 2 2 250.342 0.250 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000355379132 389069021 /nfs/dbraw/zinc/06/90/21/389069021.db2.gz FXUFQLHLRMFZHK-BNOWGMLFSA-N 2 2 281.400 0.164 20 0 CCADLP CCC[N@H+](CC)CCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338226189 389093930 /nfs/dbraw/zinc/09/39/30/389093930.db2.gz MMXFAEFCILLFEO-UHFFFAOYSA-N 2 2 285.432 0.945 20 0 CCADLP CCC[N@@H+](CC)CCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338226189 389093932 /nfs/dbraw/zinc/09/39/32/389093932.db2.gz MMXFAEFCILLFEO-UHFFFAOYSA-N 2 2 285.432 0.945 20 0 CCADLP C[NH+](C)C1CN(c2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000302843214 389079509 /nfs/dbraw/zinc/07/95/09/389079509.db2.gz MUBPDXUIAVEIGU-UHFFFAOYSA-N 2 2 279.413 0.780 20 0 CCADLP CC(C)[C@@H](CNC1=[NH+]CCCN1)[NH+]1CCN(C)CC1 ZINC000340034705 389146288 /nfs/dbraw/zinc/14/62/88/389146288.db2.gz ZVQRKUUOVLDYSI-CYBMUJFWSA-N 2 2 267.421 0.197 20 0 CCADLP C[C@H]1CCCC[C@H]1NC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577476 389096853 /nfs/dbraw/zinc/09/68/53/389096853.db2.gz IGOVYZXOOCNMGB-IGQOVBAYSA-N 2 2 265.401 0.833 20 0 CCADLP C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577476 389096855 /nfs/dbraw/zinc/09/68/55/389096855.db2.gz IGOVYZXOOCNMGB-IGQOVBAYSA-N 2 2 265.401 0.833 20 0 CCADLP CC[N@@H+]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000355599328 389099371 /nfs/dbraw/zinc/09/93/71/389099371.db2.gz SKHJLYKBBUITMT-UHFFFAOYSA-N 2 2 280.372 0.904 20 0 CCADLP CC[N@H+]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000355599328 389099374 /nfs/dbraw/zinc/09/93/74/389099374.db2.gz SKHJLYKBBUITMT-UHFFFAOYSA-N 2 2 280.372 0.904 20 0 CCADLP COCCN(CC[NH+](C)C)C(=O)c1cc(C[NH+](C)C)on1 ZINC000355599842 389099599 /nfs/dbraw/zinc/09/95/99/389099599.db2.gz SUDZTQNOLOSFIA-UHFFFAOYSA-N 2 2 298.387 0.386 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](CC(=O)N2CCCCCC2)CCCO1 ZINC000313353990 389113437 /nfs/dbraw/zinc/11/34/37/389113437.db2.gz ZTRQGFDTBANVKO-ZDUSSCGKSA-N 2 2 269.389 0.439 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)N2CCCCCC2)CCCO1 ZINC000313353990 389113438 /nfs/dbraw/zinc/11/34/38/389113438.db2.gz ZTRQGFDTBANVKO-ZDUSSCGKSA-N 2 2 269.389 0.439 20 0 CCADLP CCCCCNC(=O)[C@H](C)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313377002 389114057 /nfs/dbraw/zinc/11/40/57/389114057.db2.gz FCDUCSFYDCTMDJ-QWHCGFSZSA-N 2 2 271.405 0.731 20 0 CCADLP CCCCCNC(=O)[C@H](C)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313377002 389114060 /nfs/dbraw/zinc/11/40/60/389114060.db2.gz FCDUCSFYDCTMDJ-QWHCGFSZSA-N 2 2 271.405 0.731 20 0 CCADLP CCN(CCC[NH+](C)C)C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000338896328 389118681 /nfs/dbraw/zinc/11/86/81/389118681.db2.gz XXNQOXQJYJTDND-AWEZNQCLSA-N 2 2 284.448 0.423 20 0 CCADLP Cn1cc(CCC[NH2+]CC[NH+]2CCC(O)CC2)cn1 ZINC000321845899 389122280 /nfs/dbraw/zinc/12/22/80/389122280.db2.gz UJGWPUUDDQEKBV-UHFFFAOYSA-N 2 2 266.389 0.399 20 0 CCADLP CC[C@@]1(C)COCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000357612124 389136592 /nfs/dbraw/zinc/13/65/92/389136592.db2.gz HOBXACLNAIOSQG-AWEZNQCLSA-N 2 2 269.389 0.261 20 0 CCADLP CC[C@@]1(C)COCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000357612124 389136595 /nfs/dbraw/zinc/13/65/95/389136595.db2.gz HOBXACLNAIOSQG-AWEZNQCLSA-N 2 2 269.389 0.261 20 0 CCADLP C[NH2+]CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000237217213 389184651 /nfs/dbraw/zinc/18/46/51/389184651.db2.gz KIQWUHIESWTTBC-UHFFFAOYSA-N 3 2 282.432 0.272 20 0 CCADLP O=C(CN1CC[NH2+]CC1=O)Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC000238119664 389199745 /nfs/dbraw/zinc/19/97/45/389199745.db2.gz CUFROEQLJCBDQE-UHFFFAOYSA-N 2 2 299.334 0.447 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)[C@@]1(C)CCCO1 ZINC000340479273 389160746 /nfs/dbraw/zinc/16/07/46/389160746.db2.gz PMGCJFFXQLXZCO-KCQAQPDRSA-N 2 2 283.416 0.873 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)[C@@]1(C)CCCO1 ZINC000340479273 389160747 /nfs/dbraw/zinc/16/07/47/389160747.db2.gz PMGCJFFXQLXZCO-KCQAQPDRSA-N 2 2 283.416 0.873 20 0 CCADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000359034566 389165424 /nfs/dbraw/zinc/16/54/24/389165424.db2.gz IJBXNVQGXYUJRP-RYUDHWBXSA-N 2 2 274.430 0.884 20 0 CCADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000359034566 389165426 /nfs/dbraw/zinc/16/54/26/389165426.db2.gz IJBXNVQGXYUJRP-RYUDHWBXSA-N 2 2 274.430 0.884 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCN1CC[NH+]2CCC[C@H]2C1 ZINC000248650297 389248577 /nfs/dbraw/zinc/24/85/77/389248577.db2.gz LYJSOEFWMPCYQC-KGLIPLIRSA-N 2 2 253.390 0.487 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCN1CC[NH+]2CCC[C@H]2C1 ZINC000248650297 389248579 /nfs/dbraw/zinc/24/85/79/389248579.db2.gz LYJSOEFWMPCYQC-KGLIPLIRSA-N 2 2 253.390 0.487 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN1CC[N@@H+]2CCC[C@H]2C1 ZINC000248650297 389248580 /nfs/dbraw/zinc/24/85/80/389248580.db2.gz LYJSOEFWMPCYQC-KGLIPLIRSA-N 2 2 253.390 0.487 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN1CC[N@H+]2CCC[C@H]2C1 ZINC000248650297 389248582 /nfs/dbraw/zinc/24/85/82/389248582.db2.gz LYJSOEFWMPCYQC-KGLIPLIRSA-N 2 2 253.390 0.487 20 0 CCADLP COCCCN(C)CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000343251250 389261216 /nfs/dbraw/zinc/26/12/16/389261216.db2.gz MJUBAGSIJTXHBW-ARFHVFGLSA-N 2 2 299.459 0.701 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000131456695 389213307 /nfs/dbraw/zinc/21/33/07/389213307.db2.gz LVIDDBPNNGQXLU-LSDHHAIUSA-N 2 2 295.427 0.970 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000131456695 389213310 /nfs/dbraw/zinc/21/33/10/389213310.db2.gz LVIDDBPNNGQXLU-LSDHHAIUSA-N 2 2 295.427 0.970 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)CC[N@H+]1CCCOCC1 ZINC000361394844 389214791 /nfs/dbraw/zinc/21/47/91/389214791.db2.gz ITLMZRIIACEWPT-HNNXBMFYSA-N 2 2 285.432 0.361 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000361417512 389216328 /nfs/dbraw/zinc/21/63/28/389216328.db2.gz OKPSAXSGRGIGQO-NWDGAFQWSA-N 2 2 282.388 0.378 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000361417512 389216329 /nfs/dbraw/zinc/21/63/29/389216329.db2.gz OKPSAXSGRGIGQO-NWDGAFQWSA-N 2 2 282.388 0.378 20 0 CCADLP CCN(C)C(=O)C[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361520455 389218448 /nfs/dbraw/zinc/21/84/48/389218448.db2.gz UHXPPNQOVVHMOC-UHFFFAOYSA-N 2 2 292.383 0.691 20 0 CCADLP COC[C@@](C)(CC(=O)OC)[NH2+]CCn1cc[nH+]c1 ZINC000131920693 389219101 /nfs/dbraw/zinc/21/91/01/389219101.db2.gz IQDCBFYZNABQFP-GFCCVEGCSA-N 2 2 255.318 0.441 20 0 CCADLP CC[N@H+](CC(=O)N(C)CC[NH+]1CCOCC1)C1CC1 ZINC000131976818 389219613 /nfs/dbraw/zinc/21/96/13/389219613.db2.gz PQPLLYDRQQBNFO-UHFFFAOYSA-N 2 2 269.389 0.261 20 0 CCADLP CC[N@@H+](CC(=O)N(C)CC[NH+]1CCOCC1)C1CC1 ZINC000131976818 389219614 /nfs/dbraw/zinc/21/96/14/389219614.db2.gz PQPLLYDRQQBNFO-UHFFFAOYSA-N 2 2 269.389 0.261 20 0 CCADLP CC(C)[C@@H](C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)[NH+](C)C ZINC000133122392 389232008 /nfs/dbraw/zinc/23/20/08/389232008.db2.gz OXVZJDYHYOPKIA-IHRRRGAJSA-N 2 2 285.432 0.798 20 0 CCADLP C[C@@H]1CCC[N@H+](CCNC(=O)NCc2[nH+]ccn2C)C1 ZINC000264253224 389315461 /nfs/dbraw/zinc/31/54/61/389315461.db2.gz ZAMLPFHZSVXLCC-GFCCVEGCSA-N 2 2 279.388 0.951 20 0 CCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)NCc2[nH+]ccn2C)C1 ZINC000264253224 389315466 /nfs/dbraw/zinc/31/54/66/389315466.db2.gz ZAMLPFHZSVXLCC-GFCCVEGCSA-N 2 2 279.388 0.951 20 0 CCADLP COCCN(CC[NH+](C)C)C(=O)NCCCn1cc[nH+]c1 ZINC000264268998 389317284 /nfs/dbraw/zinc/31/72/84/389317284.db2.gz OJYDQDPDDQYQTC-UHFFFAOYSA-N 2 2 297.403 0.493 20 0 CCADLP CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000345909132 389317578 /nfs/dbraw/zinc/31/75/78/389317578.db2.gz PQXKQYWANBBBKJ-AGIUHOORSA-N 2 2 269.389 0.258 20 0 CCADLP CC[N@H+]1C[C@H](C)N(C(=O)[C@@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000345909132 389317579 /nfs/dbraw/zinc/31/75/79/389317579.db2.gz PQXKQYWANBBBKJ-AGIUHOORSA-N 2 2 269.389 0.258 20 0 CCADLP CC[NH+]1C[C@H](C)N(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000345909132 389317582 /nfs/dbraw/zinc/31/75/82/389317582.db2.gz PQXKQYWANBBBKJ-AGIUHOORSA-N 2 2 269.389 0.258 20 0 CCADLP CC[NH+]1C[C@H](C)N(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000345909132 389317585 /nfs/dbraw/zinc/31/75/85/389317585.db2.gz PQXKQYWANBBBKJ-AGIUHOORSA-N 2 2 269.389 0.258 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)NCCCn2cc[nH+]c2)C1 ZINC000264439350 389328923 /nfs/dbraw/zinc/32/89/23/389328923.db2.gz DLPWISUNMDCFMO-CYBMUJFWSA-N 2 2 295.387 0.293 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)NCCCn2cc[nH+]c2)C1 ZINC000264439350 389328925 /nfs/dbraw/zinc/32/89/25/389328925.db2.gz DLPWISUNMDCFMO-CYBMUJFWSA-N 2 2 295.387 0.293 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H](C)CC(N)=O)C1 ZINC000346778718 389337423 /nfs/dbraw/zinc/33/74/23/389337423.db2.gz UXKPOUXZGDLFTH-VXGBXAGGSA-N 2 2 257.378 0.197 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H](C)CC(N)=O)C1 ZINC000346778718 389337426 /nfs/dbraw/zinc/33/74/26/389337426.db2.gz UXKPOUXZGDLFTH-VXGBXAGGSA-N 2 2 257.378 0.197 20 0 CCADLP C[N@@H+]1CC[C@H](CNC(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000264637785 389340429 /nfs/dbraw/zinc/34/04/29/389340429.db2.gz CVKCFJWUYFWWAU-GFCCVEGCSA-N 2 2 285.351 0.949 20 0 CCADLP C[N@H+]1CC[C@H](CNC(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000264637785 389340432 /nfs/dbraw/zinc/34/04/32/389340432.db2.gz CVKCFJWUYFWWAU-GFCCVEGCSA-N 2 2 285.351 0.949 20 0 CCADLP C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000330993570 389275857 /nfs/dbraw/zinc/27/58/57/389275857.db2.gz NPIUXLGHUKXCEZ-LBPRGKRZSA-N 2 2 293.415 0.845 20 0 CCADLP C[C@H]1C[C@H]([NH+](C)CCC(=O)N2CC[NH2+]CC2)CC[N@@H+]1C ZINC000262074644 389280622 /nfs/dbraw/zinc/28/06/22/389280622.db2.gz KFAGSEAOMBCKTG-UONOGXRCSA-N 3 2 282.432 0.223 20 0 CCADLP C[C@H]1C[C@H]([NH+](C)CCC(=O)N2CC[NH2+]CC2)CC[N@H+]1C ZINC000262074644 389280624 /nfs/dbraw/zinc/28/06/24/389280624.db2.gz KFAGSEAOMBCKTG-UONOGXRCSA-N 3 2 282.432 0.223 20 0 CCADLP C[C@H]1C[C@H]([N@H+](C)CCC(=O)N2CC[NH2+]CC2)CC[NH+]1C ZINC000262074644 389280626 /nfs/dbraw/zinc/28/06/26/389280626.db2.gz KFAGSEAOMBCKTG-UONOGXRCSA-N 3 2 282.432 0.223 20 0 CCADLP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)N2CC[NH2+]CC2)CC[NH+]1C ZINC000262074644 389280628 /nfs/dbraw/zinc/28/06/28/389280628.db2.gz KFAGSEAOMBCKTG-UONOGXRCSA-N 3 2 282.432 0.223 20 0 CCADLP CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CCC[N@H+](C)C1 ZINC000152983165 389294747 /nfs/dbraw/zinc/29/47/47/389294747.db2.gz DYMGLCKIQHUPHN-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CCC[N@@H+](C)C1 ZINC000152983165 389294749 /nfs/dbraw/zinc/29/47/49/389294749.db2.gz DYMGLCKIQHUPHN-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262982919 389297054 /nfs/dbraw/zinc/29/70/54/389297054.db2.gz MVMLUJAVUDIQAG-GHMZBOCLSA-N 2 2 275.343 0.974 20 0 CCADLP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262982919 389297058 /nfs/dbraw/zinc/29/70/58/389297058.db2.gz MVMLUJAVUDIQAG-GHMZBOCLSA-N 2 2 275.343 0.974 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000366376100 389299624 /nfs/dbraw/zinc/29/96/24/389299624.db2.gz PEAYBMQYZMPSFL-ZIAGYGMSSA-N 2 2 292.383 0.400 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000366376100 389299628 /nfs/dbraw/zinc/29/96/28/389299628.db2.gz PEAYBMQYZMPSFL-ZIAGYGMSSA-N 2 2 292.383 0.400 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+](CC(=O)N3CCC3)CC2)c1 ZINC000264158808 389309550 /nfs/dbraw/zinc/30/95/50/389309550.db2.gz FIUVNEOGCGVITR-UHFFFAOYSA-N 2 2 290.367 0.445 20 0 CCADLP C[C@@H](CNC(=O)CCOC1C[NH2+]C1)Cn1cc[nH+]c1 ZINC000349057172 389402628 /nfs/dbraw/zinc/40/26/28/389402628.db2.gz QZPXVKXSLYZGFF-NSHDSACASA-N 2 2 266.345 0.014 20 0 CCADLP C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1CCn1cc[nH+]c1 ZINC000370614065 389409743 /nfs/dbraw/zinc/40/97/43/389409743.db2.gz JYARBJYPHCFCBZ-KGLIPLIRSA-N 2 2 264.373 0.678 20 0 CCADLP [NH3+][C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000333462984 389413900 /nfs/dbraw/zinc/41/39/00/389413900.db2.gz GVTHPHQYPRISND-IJLUTSLNSA-N 2 2 277.372 0.767 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H](C)C1 ZINC000367714527 389350409 /nfs/dbraw/zinc/35/04/09/389350409.db2.gz CIWGEGWRYIZZEI-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H](C)C1 ZINC000367714527 389350412 /nfs/dbraw/zinc/35/04/12/389350412.db2.gz CIWGEGWRYIZZEI-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000347792137 389359463 /nfs/dbraw/zinc/35/94/63/389359463.db2.gz BUORKSYSIPCVRN-DZGCQCFKSA-N 3 2 268.449 0.552 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000347792137 389359465 /nfs/dbraw/zinc/35/94/65/389359465.db2.gz BUORKSYSIPCVRN-DZGCQCFKSA-N 3 2 268.449 0.552 20 0 CCADLP CC(C)[C@@H](C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1)[C@@H](C)[NH3+] ZINC000332708956 389359692 /nfs/dbraw/zinc/35/96/92/389359692.db2.gz YBZGQGBEOOQQSJ-XJFOESAGSA-N 2 2 283.416 0.537 20 0 CCADLP CC(C)[C@@H](C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1)[C@@H](C)[NH3+] ZINC000332708956 389359695 /nfs/dbraw/zinc/35/96/95/389359695.db2.gz YBZGQGBEOOQQSJ-XJFOESAGSA-N 2 2 283.416 0.537 20 0 CCADLP CC(C)[N@@H+](Cc1cccc2[nH+]ccn21)C[C@@H](O)CO ZINC000421403541 389362729 /nfs/dbraw/zinc/36/27/29/389362729.db2.gz FNIPTJGSCDYGFU-CYBMUJFWSA-N 2 2 263.341 0.898 20 0 CCADLP CC(C)[N@H+](Cc1cccc2[nH+]ccn21)C[C@@H](O)CO ZINC000421403541 389362731 /nfs/dbraw/zinc/36/27/31/389362731.db2.gz FNIPTJGSCDYGFU-CYBMUJFWSA-N 2 2 263.341 0.898 20 0 CCADLP C1CC1[C@@H](N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[NH2+]CCO1 ZINC000422733372 389461158 /nfs/dbraw/zinc/46/11/58/389461158.db2.gz BDIHRNAXDYWIJL-VHDGCEQUSA-N 2 2 265.401 0.580 20 0 CCADLP C1CC1[C@@H](N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[NH2+]CCO1 ZINC000422733372 389461159 /nfs/dbraw/zinc/46/11/59/389461159.db2.gz BDIHRNAXDYWIJL-VHDGCEQUSA-N 2 2 265.401 0.580 20 0 CCADLP C1CC1[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1)[C@@H]1C[NH2+]CCO1 ZINC000422733372 389461163 /nfs/dbraw/zinc/46/11/63/389461163.db2.gz BDIHRNAXDYWIJL-VHDGCEQUSA-N 2 2 265.401 0.580 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCC[N@H+](C)C1CCCC1 ZINC000422739716 389463550 /nfs/dbraw/zinc/46/35/50/389463550.db2.gz LOYOFZKBQSLARS-UONOGXRCSA-N 2 2 283.416 0.744 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCC[N@@H+](C)C1CCCC1 ZINC000422739716 389463552 /nfs/dbraw/zinc/46/35/52/389463552.db2.gz LOYOFZKBQSLARS-UONOGXRCSA-N 2 2 283.416 0.744 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCC[N@@H+]1CCCC[C@@H]1C ZINC000422859103 389493686 /nfs/dbraw/zinc/49/36/86/389493686.db2.gz JRLDNTZJMABBFY-MELADBBJSA-N 2 2 283.416 0.744 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCC[N@H+]1CCCC[C@@H]1C ZINC000422859103 389493690 /nfs/dbraw/zinc/49/36/90/389493690.db2.gz JRLDNTZJMABBFY-MELADBBJSA-N 2 2 283.416 0.744 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCC[N@@H+]1CCCC[C@H]1C ZINC000422859104 389493727 /nfs/dbraw/zinc/49/37/27/389493727.db2.gz JRLDNTZJMABBFY-MGPQQGTHSA-N 2 2 283.416 0.744 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCC[N@H+]1CCCC[C@H]1C ZINC000422859104 389493733 /nfs/dbraw/zinc/49/37/33/389493733.db2.gz JRLDNTZJMABBFY-MGPQQGTHSA-N 2 2 283.416 0.744 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1c1noc([C@@H]2CC[NH+](C)C2)n1 ZINC000350049439 389481551 /nfs/dbraw/zinc/48/15/51/389481551.db2.gz SLLATHOIFWRNQZ-GHMZBOCLSA-N 2 2 265.361 0.407 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1c1noc([C@@H]2CC[NH+](C)C2)n1 ZINC000350049439 389481553 /nfs/dbraw/zinc/48/15/53/389481553.db2.gz SLLATHOIFWRNQZ-GHMZBOCLSA-N 2 2 265.361 0.407 20 0 CCADLP CN1CC[NH+](C)C[C@@H]1c1noc([C@@H]2CC[N@H+](C)C2)n1 ZINC000350049439 389481555 /nfs/dbraw/zinc/48/15/55/389481555.db2.gz SLLATHOIFWRNQZ-GHMZBOCLSA-N 2 2 265.361 0.407 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000422823684 389482909 /nfs/dbraw/zinc/48/29/09/389482909.db2.gz DWEBSFOXCVUKAS-JSGCOSHPSA-N 2 2 283.416 0.602 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000422823684 389482914 /nfs/dbraw/zinc/48/29/14/389482914.db2.gz DWEBSFOXCVUKAS-JSGCOSHPSA-N 2 2 283.416 0.602 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@H]([NH3+])C(C)C ZINC000422845007 389489657 /nfs/dbraw/zinc/48/96/57/389489657.db2.gz APZPBTDLCBFQOA-QWHCGFSZSA-N 2 2 271.405 0.587 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@H]([NH3+])C(C)C ZINC000422845007 389489661 /nfs/dbraw/zinc/48/96/61/389489661.db2.gz APZPBTDLCBFQOA-QWHCGFSZSA-N 2 2 271.405 0.587 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000163213377 389425826 /nfs/dbraw/zinc/42/58/26/389425826.db2.gz JVJUHIFRTPSVRJ-MNOVXSKESA-N 2 2 270.377 0.281 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000163213377 389425827 /nfs/dbraw/zinc/42/58/27/389425827.db2.gz JVJUHIFRTPSVRJ-MNOVXSKESA-N 2 2 270.377 0.281 20 0 CCADLP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000422851317 389491730 /nfs/dbraw/zinc/49/17/30/389491730.db2.gz FFWZBDXFFONNIE-SOUVJXGZSA-N 2 2 295.427 0.731 20 0 CCADLP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000422851317 389491731 /nfs/dbraw/zinc/49/17/31/389491731.db2.gz FFWZBDXFFONNIE-SOUVJXGZSA-N 2 2 295.427 0.731 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000163957384 389430970 /nfs/dbraw/zinc/43/09/70/389430970.db2.gz BHKVOVJAQWAFFO-NSHDSACASA-N 2 2 264.435 0.987 20 0 CCADLP C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371400189 389432043 /nfs/dbraw/zinc/43/20/43/389432043.db2.gz DOQKIPWFRSFWLK-YDHLFZDLSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371400189 389432045 /nfs/dbraw/zinc/43/20/45/389432045.db2.gz DOQKIPWFRSFWLK-YDHLFZDLSA-N 2 2 295.427 0.696 20 0 CCADLP CC[N@H+](CCn1cc[nH+]c1C)[C@@H](C)CS(C)(=O)=O ZINC000270829570 389435988 /nfs/dbraw/zinc/43/59/88/389435988.db2.gz CPOUDXITJAYGHJ-NSHDSACASA-N 2 2 273.402 0.947 20 0 CCADLP CC[N@@H+](CCn1cc[nH+]c1C)[C@@H](C)CS(C)(=O)=O ZINC000270829570 389435993 /nfs/dbraw/zinc/43/59/93/389435993.db2.gz CPOUDXITJAYGHJ-NSHDSACASA-N 2 2 273.402 0.947 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000164939864 389437076 /nfs/dbraw/zinc/43/70/76/389437076.db2.gz QNDXWTBVJQXCHH-CQSZACIVSA-N 2 2 262.357 0.763 20 0 CCADLP CO[C@@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000349827286 389441890 /nfs/dbraw/zinc/44/18/90/389441890.db2.gz IKFMQLLVMBKGBY-OAHLLOKOSA-N 2 2 297.443 0.896 20 0 CCADLP CO[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C1CC1 ZINC000349827286 389441894 /nfs/dbraw/zinc/44/18/94/389441894.db2.gz IKFMQLLVMBKGBY-OAHLLOKOSA-N 2 2 297.443 0.896 20 0 CCADLP CC[C@@](C)(O)C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000372548012 389453062 /nfs/dbraw/zinc/45/30/62/389453062.db2.gz PLVUKZFJASWQTN-DZGCQCFKSA-N 2 2 283.416 0.562 20 0 CCADLP CC[C@@](C)(O)C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000372548012 389453066 /nfs/dbraw/zinc/45/30/66/389453066.db2.gz PLVUKZFJASWQTN-DZGCQCFKSA-N 2 2 283.416 0.562 20 0 CCADLP [NH3+][C@@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000422690856 389453161 /nfs/dbraw/zinc/45/31/61/389453161.db2.gz HAXLFCOXFIMPIS-ZIAGYGMSSA-N 2 2 281.400 0.437 20 0 CCADLP [NH3+][C@@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000422690856 389453164 /nfs/dbraw/zinc/45/31/64/389453164.db2.gz HAXLFCOXFIMPIS-ZIAGYGMSSA-N 2 2 281.400 0.437 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@@H](CC(C)C)C[NH+](C)C ZINC000422721880 389458670 /nfs/dbraw/zinc/45/86/70/389458670.db2.gz WHDTXMOPHWLXPJ-MELADBBJSA-N 2 2 285.432 0.846 20 0 CCADLP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422720825 389458815 /nfs/dbraw/zinc/45/88/15/389458815.db2.gz TYVCNCBKBVWLKC-KGLIPLIRSA-N 3 2 282.432 0.271 20 0 CCADLP Cc1ccn2cc(CNC(=O)[C@H]3C[C@@H]([NH3+])C3)[nH+]c2c1 ZINC000335454596 389568458 /nfs/dbraw/zinc/56/84/58/389568458.db2.gz JBUOKSHYMPITAM-PHIMTYICSA-N 2 2 258.325 0.996 20 0 CCADLP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC(=O)NCCc1ccccc1 ZINC000422936843 389507527 /nfs/dbraw/zinc/50/75/27/389507527.db2.gz NABJQUQZVFRVRX-KBPBESRZSA-N 2 2 261.369 0.815 20 0 CCADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000422974175 389513319 /nfs/dbraw/zinc/51/33/19/389513319.db2.gz DILYHZPYDHUKFZ-MGPQQGTHSA-N 3 2 257.422 0.809 20 0 CCADLP CN(C(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)C1CC1 ZINC000334991153 389518275 /nfs/dbraw/zinc/51/82/75/389518275.db2.gz ARZFIKMPFDSFOC-CQSZACIVSA-N 2 2 251.374 0.683 20 0 CCADLP CN(C(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)C1CC1 ZINC000334991153 389518280 /nfs/dbraw/zinc/51/82/80/389518280.db2.gz ARZFIKMPFDSFOC-CQSZACIVSA-N 2 2 251.374 0.683 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCNc1ccccn1 ZINC000422989285 389518528 /nfs/dbraw/zinc/51/85/28/389518528.db2.gz ATGCMNBRMMQAMS-STQMWFEESA-N 2 2 264.373 0.850 20 0 CCADLP C([NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)[C@H]1CN(C2CC2)CCO1 ZINC000423023388 389523551 /nfs/dbraw/zinc/52/35/51/389523551.db2.gz HGZAVATUBPSTBB-JYJNAYRXSA-N 2 2 295.427 0.206 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H]1CN(C2CC2)CCO1 ZINC000423023583 389524432 /nfs/dbraw/zinc/52/44/32/389524432.db2.gz HPDXIKPZCKVBBR-IPYPFGDCSA-N 2 2 283.416 0.206 20 0 CCADLP CC[C@@H](O)C[NH+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000276674547 389526416 /nfs/dbraw/zinc/52/64/16/389526416.db2.gz ZVMRLUHYMKLGIA-ITDFMYJTSA-N 2 2 278.356 0.338 20 0 CCADLP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)OC(C)(C)C ZINC000174728767 389527707 /nfs/dbraw/zinc/52/77/07/389527707.db2.gz WMTZCQPSOIUTOF-UHFFFAOYSA-N 2 2 285.432 0.897 20 0 CCADLP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)OC(C)(C)C ZINC000174728767 389527710 /nfs/dbraw/zinc/52/77/10/389527710.db2.gz WMTZCQPSOIUTOF-UHFFFAOYSA-N 2 2 285.432 0.897 20 0 CCADLP C1CC1[C@@H]([NH2+][C@H]1C[C@H]2OCCC[C@@H]21)[C@@H]1C[NH2+]CCO1 ZINC000423063661 389528905 /nfs/dbraw/zinc/52/89/05/389528905.db2.gz XBRLWZIYTDXPOZ-QKGCVVFFSA-N 2 2 266.385 0.911 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC2CCOCC2)[C@H](C)C1 ZINC000174778854 389529485 /nfs/dbraw/zinc/52/94/85/389529485.db2.gz KZSUVUFKYZOBAE-HIFRSBDPSA-N 2 2 297.443 0.944 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC2CCOCC2)[C@H](C)C1 ZINC000174778854 389529488 /nfs/dbraw/zinc/52/94/88/389529488.db2.gz KZSUVUFKYZOBAE-HIFRSBDPSA-N 2 2 297.443 0.944 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC2CCOCC2)[C@H](C)C1 ZINC000174778854 389529493 /nfs/dbraw/zinc/52/94/93/389529493.db2.gz KZSUVUFKYZOBAE-HIFRSBDPSA-N 2 2 297.443 0.944 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC2CCOCC2)[C@H](C)C1 ZINC000174778854 389529496 /nfs/dbraw/zinc/52/94/96/389529496.db2.gz KZSUVUFKYZOBAE-HIFRSBDPSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@H]1CN(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CCO1 ZINC000423091402 389532429 /nfs/dbraw/zinc/53/24/29/389532429.db2.gz XAMVEYLCZCCNRQ-MELADBBJSA-N 2 2 255.406 0.827 20 0 CCADLP CC[C@H]1C[N@H+](CCN[C@@H](C)[C@H]2CCC[NH2+]2)CCO1 ZINC000423091402 389532434 /nfs/dbraw/zinc/53/24/34/389532434.db2.gz XAMVEYLCZCCNRQ-MELADBBJSA-N 2 2 255.406 0.827 20 0 CCADLP CC[C@H]1C[N@@H+](CCN[C@@H](C)[C@H]2CCC[NH2+]2)CCO1 ZINC000423091402 389532437 /nfs/dbraw/zinc/53/24/37/389532437.db2.gz XAMVEYLCZCCNRQ-MELADBBJSA-N 2 2 255.406 0.827 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NC(=O)NC2CC2)C1 ZINC000174951618 389532482 /nfs/dbraw/zinc/53/24/82/389532482.db2.gz WITVTMYHMXJVHV-LBPRGKRZSA-N 2 2 296.415 0.638 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NC(=O)NC2CC2)C1 ZINC000174951618 389532486 /nfs/dbraw/zinc/53/24/86/389532486.db2.gz WITVTMYHMXJVHV-LBPRGKRZSA-N 2 2 296.415 0.638 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000174951618 389532490 /nfs/dbraw/zinc/53/24/90/389532490.db2.gz WITVTMYHMXJVHV-LBPRGKRZSA-N 2 2 296.415 0.638 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000174951618 389532494 /nfs/dbraw/zinc/53/24/94/389532494.db2.gz WITVTMYHMXJVHV-LBPRGKRZSA-N 2 2 296.415 0.638 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000423088201 389532656 /nfs/dbraw/zinc/53/26/56/389532656.db2.gz RHDDDFYAIGLGSZ-BFHYXJOUSA-N 2 2 297.443 0.990 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000423088201 389532657 /nfs/dbraw/zinc/53/26/57/389532657.db2.gz RHDDDFYAIGLGSZ-BFHYXJOUSA-N 2 2 297.443 0.990 20 0 CCADLP C1=CCN(CC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000423096939 389534400 /nfs/dbraw/zinc/53/44/00/389534400.db2.gz QBVRKTAWSVBWII-CABCVRRESA-N 2 2 265.401 0.605 20 0 CCADLP C1=CC[N@H+](CCN[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000423096939 389534404 /nfs/dbraw/zinc/53/44/04/389534404.db2.gz QBVRKTAWSVBWII-CABCVRRESA-N 2 2 265.401 0.605 20 0 CCADLP C1=CC[N@@H+](CCN[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000423096939 389534407 /nfs/dbraw/zinc/53/44/07/389534407.db2.gz QBVRKTAWSVBWII-CABCVRRESA-N 2 2 265.401 0.605 20 0 CCADLP C[C@H]([NH2+][C@H]1CC(=O)N2CCCC[C@@H]12)[C@H]1CCC[NH2+]1 ZINC000423106473 389535380 /nfs/dbraw/zinc/53/53/80/389535380.db2.gz CYJMYADBYRPHCT-RNJOBUHISA-N 2 2 251.374 0.870 20 0 CCADLP CC[NH+](CC)CCC[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000374024879 389537339 /nfs/dbraw/zinc/53/73/39/389537339.db2.gz TWWWQTYYCWEICR-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH+](CC)CCC[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000374024879 389537342 /nfs/dbraw/zinc/53/73/42/389537342.db2.gz TWWWQTYYCWEICR-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH2+]CC[NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000423233691 389555232 /nfs/dbraw/zinc/55/52/32/389555232.db2.gz KJFLSWTZXHFTIA-AWEZNQCLSA-N 2 2 297.424 0.911 20 0 CCADLP NC(=O)NC(=O)CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374201962 389556880 /nfs/dbraw/zinc/55/68/80/389556880.db2.gz YFCAQEKFRYRZHI-UHFFFAOYSA-N 2 2 265.317 0.174 20 0 CCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@@H]1CCC[NH2+]1 ZINC000335451671 389566202 /nfs/dbraw/zinc/56/62/02/389566202.db2.gz KHPBHFXYXXVZIG-LBPRGKRZSA-N 2 2 262.357 0.930 20 0 CCADLP CC(C)([NH3+])CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000422873425 389497419 /nfs/dbraw/zinc/49/74/19/389497419.db2.gz AFKUFWZYGDBLHQ-LBPRGKRZSA-N 2 2 269.389 0.341 20 0 CCADLP CC(C)([NH3+])CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000422873425 389497423 /nfs/dbraw/zinc/49/74/23/389497423.db2.gz AFKUFWZYGDBLHQ-LBPRGKRZSA-N 2 2 269.389 0.341 20 0 CCADLP O=C(CC[C@H]1CCC[NH2+]1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000423768100 389609792 /nfs/dbraw/zinc/60/97/92/389609792.db2.gz ZVZUNPYPIBJLPG-OCCSQVGLSA-N 2 2 281.400 0.498 20 0 CCADLP O=C(CC[C@H]1CCC[NH2+]1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000423768100 389609794 /nfs/dbraw/zinc/60/97/94/389609794.db2.gz ZVZUNPYPIBJLPG-OCCSQVGLSA-N 2 2 281.400 0.498 20 0 CCADLP CC(C)OC[C@@H](CO)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351649599 389646939 /nfs/dbraw/zinc/64/69/39/389646939.db2.gz NKMGVOYIUGTNKM-ZIAGYGMSSA-N 2 2 274.405 0.159 20 0 CCADLP CC(C)OC[C@@H](CO)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351649599 389646946 /nfs/dbraw/zinc/64/69/46/389646946.db2.gz NKMGVOYIUGTNKM-ZIAGYGMSSA-N 2 2 274.405 0.159 20 0 CCADLP CC(C)OC[C@@H](CO)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351649599 389646948 /nfs/dbraw/zinc/64/69/48/389646948.db2.gz NKMGVOYIUGTNKM-ZIAGYGMSSA-N 2 2 274.405 0.159 20 0 CCADLP CC(C)OC[C@@H](CO)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351649599 389646952 /nfs/dbraw/zinc/64/69/52/389646952.db2.gz NKMGVOYIUGTNKM-ZIAGYGMSSA-N 2 2 274.405 0.159 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)c1ccc(C[NH3+])o1 ZINC000178763387 389620949 /nfs/dbraw/zinc/62/09/49/389620949.db2.gz QJFJQQDACPVNKL-UHFFFAOYSA-N 2 2 281.356 0.579 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)c1ccc(C[NH3+])o1 ZINC000178763387 389620956 /nfs/dbraw/zinc/62/09/56/389620956.db2.gz QJFJQQDACPVNKL-UHFFFAOYSA-N 2 2 281.356 0.579 20 0 CCADLP CC[N@H+](CC(=O)NCC[NH+]1CCOCC1(C)C)C1CC1 ZINC000179167430 389642596 /nfs/dbraw/zinc/64/25/96/389642596.db2.gz PHIYUDLTJMXNFE-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP CC[N@@H+](CC(=O)NCC[NH+]1CCOCC1(C)C)C1CC1 ZINC000179167430 389642601 /nfs/dbraw/zinc/64/26/01/389642601.db2.gz PHIYUDLTJMXNFE-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+](CC(=O)NCC[N@@H+]1CCOCC1(C)C)C1CC1 ZINC000179167430 389642603 /nfs/dbraw/zinc/64/26/03/389642603.db2.gz PHIYUDLTJMXNFE-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+](CC(=O)NCC[N@H+]1CCOCC1(C)C)C1CC1 ZINC000179167430 389642610 /nfs/dbraw/zinc/64/26/10/389642610.db2.gz PHIYUDLTJMXNFE-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP COC(=O)CCn1nc(C)c(C[NH2+]C[C@@H]([NH3+])C2CC2)c1C ZINC000414898755 389643749 /nfs/dbraw/zinc/64/37/49/389643749.db2.gz TXTFXJUYNHRNGB-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@@H+]1CCOC[C@@H]1C)[C@@H](C)[NH3+] ZINC000423384898 389576633 /nfs/dbraw/zinc/57/66/33/389576633.db2.gz QLPDYNYNEOZDMP-XQQFMLRXSA-N 2 2 271.405 0.443 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@H+]1CCOC[C@@H]1C)[C@@H](C)[NH3+] ZINC000423384898 389576636 /nfs/dbraw/zinc/57/66/36/389576636.db2.gz QLPDYNYNEOZDMP-XQQFMLRXSA-N 2 2 271.405 0.443 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)[C@@H]2C[C@H](C)CC[NH2+]2)C[C@H]1C ZINC000423398403 389579247 /nfs/dbraw/zinc/57/92/47/389579247.db2.gz VIRHIDVWHGLIGT-MCIONIFRSA-N 2 2 283.416 0.554 20 0 CCADLP COCC[N@H+]1CCN(C(=O)[C@@H]2C[C@H](C)CC[NH2+]2)C[C@H]1C ZINC000423398403 389579249 /nfs/dbraw/zinc/57/92/49/389579249.db2.gz VIRHIDVWHGLIGT-MCIONIFRSA-N 2 2 283.416 0.554 20 0 CCADLP COCCOc1cc2c(cc1C[NH2+][C@H](C)C[NH3+])OCO2 ZINC000414929133 389645396 /nfs/dbraw/zinc/64/53/96/389645396.db2.gz NIIUNXGAUQSZKJ-SNVBAGLBSA-N 2 2 282.340 0.877 20 0 CCADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(=O)n4[nH]ccc4n3)C[C@@H]12 ZINC000351478495 389586020 /nfs/dbraw/zinc/58/60/20/389586020.db2.gz PMLHOSCYFWULKA-YUSALJHKSA-N 2 2 273.340 0.192 20 0 CCADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(=O)n4[nH]ccc4n3)C[C@@H]12 ZINC000351478495 389586027 /nfs/dbraw/zinc/58/60/27/389586027.db2.gz PMLHOSCYFWULKA-YUSALJHKSA-N 2 2 273.340 0.192 20 0 CCADLP C[C@@H]1CN(Cc2c[nH+]c(N(C)C)n2C)[C@@H](C)C[N@@H+]1CCO ZINC000425373251 389645509 /nfs/dbraw/zinc/64/55/09/389645509.db2.gz VAWRWGDBLKJRNE-OLZOCXBDSA-N 2 2 295.431 0.373 20 0 CCADLP C[C@@H]1CN(Cc2c[nH+]c(N(C)C)n2C)[C@@H](C)C[N@H+]1CCO ZINC000425373251 389645511 /nfs/dbraw/zinc/64/55/11/389645511.db2.gz VAWRWGDBLKJRNE-OLZOCXBDSA-N 2 2 295.431 0.373 20 0 CCADLP Cc1nccc(C[N@@H+](C)C2CC[NH+](CCO)CC2)n1 ZINC000351479046 389586802 /nfs/dbraw/zinc/58/68/02/389586802.db2.gz HYVWIUYHNGOUHA-UHFFFAOYSA-N 2 2 264.373 0.674 20 0 CCADLP Cc1nccc(C[N@H+](C)C2CC[NH+](CCO)CC2)n1 ZINC000351479046 389586805 /nfs/dbraw/zinc/58/68/05/389586805.db2.gz HYVWIUYHNGOUHA-UHFFFAOYSA-N 2 2 264.373 0.674 20 0 CCADLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)NC3CC3)C2)C1 ZINC000335733132 389599521 /nfs/dbraw/zinc/59/95/21/389599521.db2.gz JLZFELGFJKRDON-AWEZNQCLSA-N 2 2 251.374 0.683 20 0 CCADLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)NC3CC3)C2)C1 ZINC000335733132 389599525 /nfs/dbraw/zinc/59/95/25/389599525.db2.gz JLZFELGFJKRDON-AWEZNQCLSA-N 2 2 251.374 0.683 20 0 CCADLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)NC3CC3)C2)C1 ZINC000335733132 389599528 /nfs/dbraw/zinc/59/95/28/389599528.db2.gz JLZFELGFJKRDON-AWEZNQCLSA-N 2 2 251.374 0.683 20 0 CCADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)NC3CC3)C2)C1 ZINC000335733132 389599533 /nfs/dbraw/zinc/59/95/33/389599533.db2.gz JLZFELGFJKRDON-AWEZNQCLSA-N 2 2 251.374 0.683 20 0 CCADLP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)C1(C(=O)OC)CCC1 ZINC000423580224 389602344 /nfs/dbraw/zinc/60/23/44/389602344.db2.gz XKUBCTFUIMXWRD-VXGBXAGGSA-N 2 2 270.373 0.686 20 0 CCADLP C[NH2+]C[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCOCC2)C1 ZINC000428750482 389718131 /nfs/dbraw/zinc/71/81/31/389718131.db2.gz PWWVLSRLGOWXIB-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP C[NH2+]CCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000375835720 389718265 /nfs/dbraw/zinc/71/82/65/389718265.db2.gz YGXZOYDEUCIRHL-UHFFFAOYSA-N 3 2 296.459 0.662 20 0 CCADLP CC(C)[C@@H]1C[N@H+](C)CCN1CC[NH+]1CCOC[C@H]1C ZINC000425480629 389649515 /nfs/dbraw/zinc/64/95/15/389649515.db2.gz PGIWOFYVHIJKQE-CABCVRRESA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1CC[NH+]1CCOC[C@H]1C ZINC000425480629 389649517 /nfs/dbraw/zinc/64/95/17/389649517.db2.gz PGIWOFYVHIJKQE-CABCVRRESA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@@H]1C[NH+](C)CCN1CC[N@@H+]1CCOC[C@H]1C ZINC000425480629 389649519 /nfs/dbraw/zinc/64/95/19/389649519.db2.gz PGIWOFYVHIJKQE-CABCVRRESA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@@H]1C[NH+](C)CCN1CC[N@H+]1CCOC[C@H]1C ZINC000425480629 389649521 /nfs/dbraw/zinc/64/95/21/389649521.db2.gz PGIWOFYVHIJKQE-CABCVRRESA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@@H]1C[N@H+](C)CCN1CC[NH+]1CCOC[C@@H]1C ZINC000425480631 389649996 /nfs/dbraw/zinc/64/99/96/389649996.db2.gz PGIWOFYVHIJKQE-GJZGRUSLSA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1CC[NH+]1CCOC[C@@H]1C ZINC000425480631 389649999 /nfs/dbraw/zinc/64/99/99/389649999.db2.gz PGIWOFYVHIJKQE-GJZGRUSLSA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@@H]1C[NH+](C)CCN1CC[N@@H+]1CCOC[C@@H]1C ZINC000425480631 389650002 /nfs/dbraw/zinc/65/00/02/389650002.db2.gz PGIWOFYVHIJKQE-GJZGRUSLSA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@@H]1C[NH+](C)CCN1CC[N@H+]1CCOC[C@@H]1C ZINC000425480631 389650005 /nfs/dbraw/zinc/65/00/05/389650005.db2.gz PGIWOFYVHIJKQE-GJZGRUSLSA-N 2 2 269.433 0.979 20 0 CCADLP C[C@@H](O)CCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179285725 389650961 /nfs/dbraw/zinc/65/09/61/389650961.db2.gz WBRZLAIGBKDBCU-GFCCVEGCSA-N 2 2 286.420 0.083 20 0 CCADLP CC[C@H](CO)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179281503 389651395 /nfs/dbraw/zinc/65/13/95/389651395.db2.gz SZPFNGRDALCPGK-GFCCVEGCSA-N 2 2 286.420 0.083 20 0 CCADLP CCOC(=O)Cn1nc(C)c(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1C ZINC000415039737 389652721 /nfs/dbraw/zinc/65/27/21/389652721.db2.gz PQIUERLPLPTBLG-NHAGDIPZSA-N 2 2 292.383 0.370 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@H]2C[C@]23CC[NH2+]C3)CCO1 ZINC000375251486 389655087 /nfs/dbraw/zinc/65/50/87/389655087.db2.gz WAEACOILAQVBMQ-DOMZBBRYSA-N 2 2 281.400 0.213 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@H]2C[C@]23CC[NH2+]C3)CCO1 ZINC000375251486 389655089 /nfs/dbraw/zinc/65/50/89/389655089.db2.gz WAEACOILAQVBMQ-DOMZBBRYSA-N 2 2 281.400 0.213 20 0 CCADLP C[N@@H+](Cc1cnc2ccc(Cl)cn12)C[C@H](O)C[NH3+] ZINC000415074219 389655466 /nfs/dbraw/zinc/65/54/66/389655466.db2.gz ZWAHBTUODUQAMH-LLVKDONJSA-N 2 2 268.748 0.739 20 0 CCADLP C[N@H+](Cc1cnc2ccc(Cl)cn12)C[C@H](O)C[NH3+] ZINC000415074219 389655467 /nfs/dbraw/zinc/65/54/67/389655467.db2.gz ZWAHBTUODUQAMH-LLVKDONJSA-N 2 2 268.748 0.739 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](Cc2cccc3c2OCO3)CCCO1 ZINC000415119610 389661408 /nfs/dbraw/zinc/66/14/08/389661408.db2.gz YZKBBKLQVOKQIP-GFCCVEGCSA-N 2 2 264.325 0.965 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc3c2OCO3)CCCO1 ZINC000415119610 389661412 /nfs/dbraw/zinc/66/14/12/389661412.db2.gz YZKBBKLQVOKQIP-GFCCVEGCSA-N 2 2 264.325 0.965 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCC(C)(C)C2)CC1 ZINC000180492911 389671223 /nfs/dbraw/zinc/67/12/23/389671223.db2.gz HHIOJKLTJAYPMS-UHFFFAOYSA-N 2 2 253.390 0.882 20 0 CCADLP CC(C)N1CC[C@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C1=O ZINC000428044108 389685482 /nfs/dbraw/zinc/68/54/82/389685482.db2.gz JOSRIIXQDCGUPA-AVGNSLFASA-N 2 2 251.374 0.680 20 0 CCADLP CC(C)N1CC[C@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C1=O ZINC000428044108 389685483 /nfs/dbraw/zinc/68/54/83/389685483.db2.gz JOSRIIXQDCGUPA-AVGNSLFASA-N 2 2 251.374 0.680 20 0 CCADLP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000181619041 389689770 /nfs/dbraw/zinc/68/97/70/389689770.db2.gz KBOIFLZBSQWIIJ-UONOGXRCSA-N 2 2 297.443 0.944 20 0 CCADLP Cc1nnc(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)[nH]1 ZINC000428303584 389690908 /nfs/dbraw/zinc/69/09/08/389690908.db2.gz SUGSETXXLZEJKX-LBPRGKRZSA-N 2 2 292.431 0.713 20 0 CCADLP Cc1nnc(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)[nH]1 ZINC000428303584 389690909 /nfs/dbraw/zinc/69/09/09/389690909.db2.gz SUGSETXXLZEJKX-LBPRGKRZSA-N 2 2 292.431 0.713 20 0 CCADLP COCCc1noc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000351861619 389701899 /nfs/dbraw/zinc/70/18/99/389701899.db2.gz LBRSFAUKWIAQMR-ZJUUUORDSA-N 2 2 254.334 0.428 20 0 CCADLP COCCc1noc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000351861619 389701902 /nfs/dbraw/zinc/70/19/02/389701902.db2.gz LBRSFAUKWIAQMR-ZJUUUORDSA-N 2 2 254.334 0.428 20 0 CCADLP C[NH+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000182191593 389703211 /nfs/dbraw/zinc/70/32/11/389703211.db2.gz BWLMVGVNFRRMIS-NEPJUHHUSA-N 2 2 262.419 0.884 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C[C@H](O)C[N@H+](C)C1CC1 ZINC000352103585 389753403 /nfs/dbraw/zinc/75/34/03/389753403.db2.gz PSGHJMMARWXWRK-FVQBIDKESA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000352103585 389753407 /nfs/dbraw/zinc/75/34/07/389753407.db2.gz PSGHJMMARWXWRK-FVQBIDKESA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000352103585 389753409 /nfs/dbraw/zinc/75/34/09/389753409.db2.gz PSGHJMMARWXWRK-FVQBIDKESA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000352103585 389753411 /nfs/dbraw/zinc/75/34/11/389753411.db2.gz PSGHJMMARWXWRK-FVQBIDKESA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1C[C@@H](N2CCOCC2)C[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000352103585 389753413 /nfs/dbraw/zinc/75/34/13/389753413.db2.gz PSGHJMMARWXWRK-FVQBIDKESA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1C[C@@H](N2CCOCC2)C[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000352103585 389753414 /nfs/dbraw/zinc/75/34/14/389753414.db2.gz PSGHJMMARWXWRK-FVQBIDKESA-N 2 2 297.443 0.237 20 0 CCADLP CC[NH2+]CC1CCN(C(=O)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000429515649 389759044 /nfs/dbraw/zinc/75/90/44/389759044.db2.gz NZZKGGWDKDDCNE-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP CCOC(=O)C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000429666812 389763498 /nfs/dbraw/zinc/76/34/98/389763498.db2.gz HKAOBSXMVZLEOS-UHFFFAOYSA-N 2 2 297.399 0.178 20 0 CCADLP CCOC(=O)C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000429666812 389763501 /nfs/dbraw/zinc/76/35/01/389763501.db2.gz HKAOBSXMVZLEOS-UHFFFAOYSA-N 2 2 297.399 0.178 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCOC(F)F ZINC000398245037 389781185 /nfs/dbraw/zinc/78/11/85/389781185.db2.gz GSQGCBHVQXLPRE-VHSXEESVSA-N 2 2 252.305 0.972 20 0 CCADLP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000416435159 389742511 /nfs/dbraw/zinc/74/25/11/389742511.db2.gz YKTDIYRVYZACDP-CHWSQXEVSA-N 2 2 284.404 0.135 20 0 CCADLP C[C@@H]1CCCN(CCC[NH+]2CCOCC2)[C@H]1C[NH3+] ZINC000430555522 389807786 /nfs/dbraw/zinc/80/77/86/389807786.db2.gz ITNYFPVLGTUYPR-KGLIPLIRSA-N 2 2 255.406 0.768 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NCc2cccnc2)C1 ZINC000430554871 389807844 /nfs/dbraw/zinc/80/78/44/389807844.db2.gz OECXLALKSSEPMT-OCCSQVGLSA-N 2 2 276.384 0.757 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NCc2cccnc2)C1 ZINC000430554871 389807845 /nfs/dbraw/zinc/80/78/45/389807845.db2.gz OECXLALKSSEPMT-OCCSQVGLSA-N 2 2 276.384 0.757 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)n(C)n1 ZINC000430600880 389811574 /nfs/dbraw/zinc/81/15/74/389811574.db2.gz ZAHOJQZEIMAXRB-NEPJUHHUSA-N 2 2 279.388 0.726 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)n(C)n1 ZINC000430600880 389811576 /nfs/dbraw/zinc/81/15/76/389811576.db2.gz ZAHOJQZEIMAXRB-NEPJUHHUSA-N 2 2 279.388 0.726 20 0 CCADLP c1c([C@@H]2CCC[NH2+]C2)nnn1CC[NH+]1CCOCC1 ZINC000404608190 389811692 /nfs/dbraw/zinc/81/16/92/389811692.db2.gz DHAHYDNRVCHVLC-GFCCVEGCSA-N 2 2 265.361 0.077 20 0 CCADLP CC1(C)NC(=O)N(CCC[N@@H+]2CCCC[C@@H]2C[NH3+])C1=O ZINC000430608124 389812113 /nfs/dbraw/zinc/81/21/13/389812113.db2.gz CGONJDJDHXSPLJ-LLVKDONJSA-N 2 2 282.388 0.520 20 0 CCADLP CC1(C)NC(=O)N(CCC[N@H+]2CCCC[C@@H]2C[NH3+])C1=O ZINC000430608124 389812117 /nfs/dbraw/zinc/81/21/17/389812117.db2.gz CGONJDJDHXSPLJ-LLVKDONJSA-N 2 2 282.388 0.520 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430604571 389812292 /nfs/dbraw/zinc/81/22/92/389812292.db2.gz NVMYHBZPEGNBCK-VXGBXAGGSA-N 2 2 284.404 0.527 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430604571 389812295 /nfs/dbraw/zinc/81/22/95/389812295.db2.gz NVMYHBZPEGNBCK-VXGBXAGGSA-N 2 2 284.404 0.527 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000417413271 389813795 /nfs/dbraw/zinc/81/37/95/389813795.db2.gz GDHGTJYUKLFSDN-OLZOCXBDSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000417413271 389813797 /nfs/dbraw/zinc/81/37/97/389813797.db2.gz GDHGTJYUKLFSDN-OLZOCXBDSA-N 2 2 298.431 0.476 20 0 CCADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000430638744 389814979 /nfs/dbraw/zinc/81/49/79/389814979.db2.gz DGZMJMSCVVGCNP-CYBMUJFWSA-N 3 2 294.443 0.400 20 0 CCADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000430638744 389814982 /nfs/dbraw/zinc/81/49/82/389814982.db2.gz DGZMJMSCVVGCNP-CYBMUJFWSA-N 3 2 294.443 0.400 20 0 CCADLP COc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000430631296 389815116 /nfs/dbraw/zinc/81/51/16/389815116.db2.gz UKENHJPNCMSWSH-CQSZACIVSA-N 2 2 291.395 0.982 20 0 CCADLP COc1ccc(CNC(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000430631296 389815120 /nfs/dbraw/zinc/81/51/20/389815120.db2.gz UKENHJPNCMSWSH-CQSZACIVSA-N 2 2 291.395 0.982 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)N2CCCC[C@@H]2C[NH3+])CCO1 ZINC000417429147 389815889 /nfs/dbraw/zinc/81/58/89/389815889.db2.gz UGSQEHZSQKLRGZ-CYBMUJFWSA-N 2 2 298.431 0.620 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)N2CCCC[C@@H]2C[NH3+])CCO1 ZINC000417429147 389815891 /nfs/dbraw/zinc/81/58/91/389815891.db2.gz UGSQEHZSQKLRGZ-CYBMUJFWSA-N 2 2 298.431 0.620 20 0 CCADLP CN(C(=O)NCC[N@@H+]1CCOC(C)(C)C1)C1CC[NH2+]CC1 ZINC000417430430 389816077 /nfs/dbraw/zinc/81/60/77/389816077.db2.gz XJYFSNRNDDGDIO-UHFFFAOYSA-N 2 2 298.431 0.491 20 0 CCADLP CN(C(=O)NCC[N@H+]1CCOC(C)(C)C1)C1CC[NH2+]CC1 ZINC000417430430 389816079 /nfs/dbraw/zinc/81/60/79/389816079.db2.gz XJYFSNRNDDGDIO-UHFFFAOYSA-N 2 2 298.431 0.491 20 0 CCADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)[C@H]1C[NH2+]CCO1 ZINC000430715076 389819639 /nfs/dbraw/zinc/81/96/39/389819639.db2.gz RCXSRXVZZBTMOM-CQSZACIVSA-N 2 2 286.335 0.477 20 0 CCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)CC[NH3+])C2 ZINC000430709058 389819720 /nfs/dbraw/zinc/81/97/20/389819720.db2.gz LXRANNBSLNHVGF-UHFFFAOYSA-N 2 2 250.346 0.777 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000417498220 389821568 /nfs/dbraw/zinc/82/15/68/389821568.db2.gz CIGSOLWRNGJGTI-UONOGXRCSA-N 2 2 298.431 0.539 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000417498220 389821571 /nfs/dbraw/zinc/82/15/71/389821571.db2.gz CIGSOLWRNGJGTI-UONOGXRCSA-N 2 2 298.431 0.539 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000417502785 389821643 /nfs/dbraw/zinc/82/16/43/389821643.db2.gz BZOIOWKUFFOVFF-RDBSUJKOSA-N 2 2 298.431 0.618 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000417502785 389821645 /nfs/dbraw/zinc/82/16/45/389821645.db2.gz BZOIOWKUFFOVFF-RDBSUJKOSA-N 2 2 298.431 0.618 20 0 CCADLP CC[NH+]1CCC([NH2+][C@H](CCSC)C(=O)NC)CC1 ZINC000352512706 389822371 /nfs/dbraw/zinc/82/23/71/389822371.db2.gz ZMKWYOPWEOTSDA-GFCCVEGCSA-N 2 2 273.446 0.928 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000417510301 389823691 /nfs/dbraw/zinc/82/36/91/389823691.db2.gz SOXBFNKLTIUMDK-LLVKDONJSA-N 2 2 272.393 0.134 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000417510301 389823694 /nfs/dbraw/zinc/82/36/94/389823694.db2.gz SOXBFNKLTIUMDK-LLVKDONJSA-N 2 2 272.393 0.134 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000417514750 389824518 /nfs/dbraw/zinc/82/45/18/389824518.db2.gz BUDZHGYERAARJE-UPJWGTAASA-N 2 2 286.420 0.393 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NCC[N@@H+]2CCOC[C@H]2C)CC[NH2+]1 ZINC000417518467 389824922 /nfs/dbraw/zinc/82/49/22/389824922.db2.gz SQJNURRKZNHIOS-JHJVBQTASA-N 2 2 284.404 0.147 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NCC[N@H+]2CCOC[C@H]2C)CC[NH2+]1 ZINC000417518467 389824925 /nfs/dbraw/zinc/82/49/25/389824925.db2.gz SQJNURRKZNHIOS-JHJVBQTASA-N 2 2 284.404 0.147 20 0 CCADLP C[C@H](C[NH3+])N(C)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000417517016 389824935 /nfs/dbraw/zinc/82/49/35/389824935.db2.gz IFGWZXOIKAHTEE-WOPDTQHZSA-N 2 2 272.393 0.084 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000417517845 389825328 /nfs/dbraw/zinc/82/53/28/389825328.db2.gz RGMWSAORNWCFLW-FRRDWIJNSA-N 2 2 284.404 0.004 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000417517845 389825331 /nfs/dbraw/zinc/82/53/31/389825331.db2.gz RGMWSAORNWCFLW-FRRDWIJNSA-N 2 2 284.404 0.004 20 0 CCADLP CCOC(=O)[C@@H](CC)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000441318947 389830872 /nfs/dbraw/zinc/83/08/72/389830872.db2.gz RUAGLTLAJNFUIH-CYBMUJFWSA-N 2 2 272.389 0.717 20 0 CCADLP CCOC(=O)[C@@H](CC)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000441318947 389830875 /nfs/dbraw/zinc/83/08/75/389830875.db2.gz RUAGLTLAJNFUIH-CYBMUJFWSA-N 2 2 272.389 0.717 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000430881091 389831413 /nfs/dbraw/zinc/83/14/13/389831413.db2.gz YCRJLWZNFRXMTE-HIFRSBDPSA-N 2 2 291.395 0.393 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000430881091 389831414 /nfs/dbraw/zinc/83/14/14/389831414.db2.gz YCRJLWZNFRXMTE-HIFRSBDPSA-N 2 2 291.395 0.393 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H]2CCCN(c3ccn(C)n3)C2=O)C1 ZINC000430924194 389835018 /nfs/dbraw/zinc/83/50/18/389835018.db2.gz IBJHUSNWCLLJQY-STQMWFEESA-N 2 2 291.399 0.457 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H]2CCCN(c3ccn(C)n3)C2=O)C1 ZINC000430924194 389835022 /nfs/dbraw/zinc/83/50/22/389835022.db2.gz IBJHUSNWCLLJQY-STQMWFEESA-N 2 2 291.399 0.457 20 0 CCADLP Cn1ccc(N2CCC[C@@H]([N@@H+]3CC[C@@H](C[NH3+])C3)C2=O)n1 ZINC000430929912 389835746 /nfs/dbraw/zinc/83/57/46/389835746.db2.gz XBBPNDCVVZDFRK-NWDGAFQWSA-N 2 2 277.372 0.196 20 0 CCADLP Cn1ccc(N2CCC[C@@H]([N@H+]3CC[C@@H](C[NH3+])C3)C2=O)n1 ZINC000430929912 389835747 /nfs/dbraw/zinc/83/57/47/389835747.db2.gz XBBPNDCVVZDFRK-NWDGAFQWSA-N 2 2 277.372 0.196 20 0 CCADLP CN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430930224 389836574 /nfs/dbraw/zinc/83/65/74/389836574.db2.gz XKUDAGFIIPVQRY-MRVPVSSYSA-N 2 2 253.268 0.288 20 0 CCADLP CN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430930224 389836578 /nfs/dbraw/zinc/83/65/78/389836578.db2.gz XKUDAGFIIPVQRY-MRVPVSSYSA-N 2 2 253.268 0.288 20 0 CCADLP C[C@@H]1C[N@@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)CC[C@@H]1[NH3+] ZINC000430947319 389838263 /nfs/dbraw/zinc/83/82/63/389838263.db2.gz APUIROHYKVSMLC-WXHSDQCUSA-N 2 2 277.372 0.195 20 0 CCADLP C[C@@H]1C[N@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)CC[C@@H]1[NH3+] ZINC000430947319 389838267 /nfs/dbraw/zinc/83/82/67/389838267.db2.gz APUIROHYKVSMLC-WXHSDQCUSA-N 2 2 277.372 0.195 20 0 CCADLP C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430944665 389838277 /nfs/dbraw/zinc/83/82/77/389838277.db2.gz NJJBHCXFIKHILK-VWYCJHECSA-N 2 2 263.345 0.473 20 0 CCADLP C[C@@H](C(=O)Nc1ncccn1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430944665 389838278 /nfs/dbraw/zinc/83/82/78/389838278.db2.gz NJJBHCXFIKHILK-VWYCJHECSA-N 2 2 263.345 0.473 20 0 CCADLP [NH3+]C[C@@H]1CC[N@@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000430964805 389840950 /nfs/dbraw/zinc/84/09/50/389840950.db2.gz GKANWRNQZCFREQ-DTWKUNHWSA-N 2 2 265.279 0.430 20 0 CCADLP [NH3+]C[C@@H]1CC[N@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000430964805 389840953 /nfs/dbraw/zinc/84/09/53/389840953.db2.gz GKANWRNQZCFREQ-DTWKUNHWSA-N 2 2 265.279 0.430 20 0 CCADLP COc1coc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1=O ZINC000430963158 389841228 /nfs/dbraw/zinc/84/12/28/389841228.db2.gz SHCLBOVNFPPUKW-MWLCHTKSSA-N 2 2 252.314 0.818 20 0 CCADLP COc1coc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1=O ZINC000430963158 389841230 /nfs/dbraw/zinc/84/12/30/389841230.db2.gz SHCLBOVNFPPUKW-MWLCHTKSSA-N 2 2 252.314 0.818 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)C1(C[NH3+])CCCC1 ZINC000431024279 389845847 /nfs/dbraw/zinc/84/58/47/389845847.db2.gz VGAKDQZOWCUGMB-CYBMUJFWSA-N 2 2 282.432 0.258 20 0 CCADLP CC(C)[C@@](C)(O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000353285937 389848874 /nfs/dbraw/zinc/84/88/74/389848874.db2.gz BQCSBCIIWGNHOI-MRXNPFEDSA-N 2 2 299.459 0.878 20 0 CCADLP CC(C)[C@@](C)(O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000353285937 389848877 /nfs/dbraw/zinc/84/88/77/389848877.db2.gz BQCSBCIIWGNHOI-MRXNPFEDSA-N 2 2 299.459 0.878 20 0 CCADLP C[C@@H](C[NH3+])CNC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000417811926 389851587 /nfs/dbraw/zinc/85/15/87/389851587.db2.gz KHYIFRNXEVTGHG-WRWORJQWSA-N 2 2 257.284 0.676 20 0 CCADLP COCC[NH2+]CCNC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000417811670 389851745 /nfs/dbraw/zinc/85/17/45/389851745.db2.gz OWHKBQNSYHESRG-GFCCVEGCSA-N 2 2 287.310 0.317 20 0 CCADLP C[C@@H]([NH3+])CN1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000442657772 389853751 /nfs/dbraw/zinc/85/37/51/389853751.db2.gz HUPDAZMUORNSCM-CYBMUJFWSA-N 2 2 273.384 0.799 20 0 CCADLP C[C@H]([NH3+])C[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000442663061 389854178 /nfs/dbraw/zinc/85/41/78/389854178.db2.gz IQYILNKJXLSYRE-NSHDSACASA-N 2 2 279.388 0.209 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N(C)c1nccs1 ZINC000442751154 389861230 /nfs/dbraw/zinc/86/12/30/389861230.db2.gz BSGPPQSVFFRADN-NXEZZACHSA-N 2 2 268.386 0.775 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N(C)c1nccs1 ZINC000442751154 389861231 /nfs/dbraw/zinc/86/12/31/389861231.db2.gz BSGPPQSVFFRADN-NXEZZACHSA-N 2 2 268.386 0.775 20 0 CCADLP C[N@@H+]1CC[C@H](NC(=O)NCC[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000417951371 389861863 /nfs/dbraw/zinc/86/18/63/389861863.db2.gz LJPDWCINJUSCRD-QWHCGFSZSA-N 2 2 298.337 0.968 20 0 CCADLP C[N@H+]1CC[C@H](NC(=O)NCC[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000417951371 389861864 /nfs/dbraw/zinc/86/18/64/389861864.db2.gz LJPDWCINJUSCRD-QWHCGFSZSA-N 2 2 298.337 0.968 20 0 CCADLP C[N@@H+]1CC[C@@H](NC(=O)NCC[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000417951370 389861928 /nfs/dbraw/zinc/86/19/28/389861928.db2.gz LJPDWCINJUSCRD-OLZOCXBDSA-N 2 2 298.337 0.968 20 0 CCADLP C[N@H+]1CC[C@@H](NC(=O)NCC[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000417951370 389861929 /nfs/dbraw/zinc/86/19/29/389861929.db2.gz LJPDWCINJUSCRD-OLZOCXBDSA-N 2 2 298.337 0.968 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1[C@H]1CCN(CC(F)(F)F)C1=O ZINC000442780910 389862771 /nfs/dbraw/zinc/86/27/71/389862771.db2.gz OLZWKZVWZPZUOU-BBBLOLIVSA-N 2 2 279.306 0.819 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1[C@H]1CCN(CC(F)(F)F)C1=O ZINC000442780910 389862773 /nfs/dbraw/zinc/86/27/73/389862773.db2.gz OLZWKZVWZPZUOU-BBBLOLIVSA-N 2 2 279.306 0.819 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)N(C)CCC[NH+]1CCCC1 ZINC000343775600 285350160 /nfs/dbraw/zinc/35/01/60/285350160.db2.gz GZKNFVUGHFIYAV-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)N(C)CCC[NH+]1CCCC1 ZINC000343775600 285350166 /nfs/dbraw/zinc/35/01/66/285350166.db2.gz GZKNFVUGHFIYAV-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000443343257 389879126 /nfs/dbraw/zinc/87/91/26/389879126.db2.gz IPSRHMIPHVOHQR-MCIONIFRSA-N 2 2 283.416 0.242 20 0 CCADLP C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000443343257 389879128 /nfs/dbraw/zinc/87/91/28/389879128.db2.gz IPSRHMIPHVOHQR-MCIONIFRSA-N 2 2 283.416 0.242 20 0 CCADLP CCOC1CC(O)(C[NH2+][C@@H]2C[N@H+](CC)C[C@@H]2C)C1 ZINC000444006569 389888444 /nfs/dbraw/zinc/88/84/44/389888444.db2.gz BAMGDFIPNRQSPV-RJZJGCCBSA-N 2 2 256.390 0.846 20 0 CCADLP CCOC1CC(O)(C[NH2+][C@@H]2C[N@@H+](CC)C[C@@H]2C)C1 ZINC000444006569 389888445 /nfs/dbraw/zinc/88/84/45/389888445.db2.gz BAMGDFIPNRQSPV-RJZJGCCBSA-N 2 2 256.390 0.846 20 0 CCADLP CC(C)[C@@H](C[NH3+])C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000433162050 389902573 /nfs/dbraw/zinc/90/25/73/389902573.db2.gz LITWKGKITDAYKG-GFCCVEGCSA-N 2 2 271.405 0.444 20 0 CCADLP CC(C)[C@@H](C[NH3+])C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000433162050 389902576 /nfs/dbraw/zinc/90/25/76/389902576.db2.gz LITWKGKITDAYKG-GFCCVEGCSA-N 2 2 271.405 0.444 20 0 CCADLP Cc1cc(NC(=O)C[N@H+](C)[C@H]2CCC[NH2+]CC2)n(C)n1 ZINC000435618817 389959389 /nfs/dbraw/zinc/95/93/89/389959389.db2.gz VARBEOIIVNANGQ-LBPRGKRZSA-N 2 2 279.388 0.741 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+](C)[C@H]2CCC[NH2+]CC2)n(C)n1 ZINC000435618817 389959390 /nfs/dbraw/zinc/95/93/90/389959390.db2.gz VARBEOIIVNANGQ-LBPRGKRZSA-N 2 2 279.388 0.741 20 0 CCADLP C[NH2+]C[C@H](C)CNc1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000420185036 389963239 /nfs/dbraw/zinc/96/32/39/389963239.db2.gz BEMMRSAMZLMELJ-YNEHKIRRSA-N 2 2 293.415 0.951 20 0 CCADLP C[NH2+]C[C@H](C)CNc1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000420185036 389963241 /nfs/dbraw/zinc/96/32/41/389963241.db2.gz BEMMRSAMZLMELJ-YNEHKIRRSA-N 2 2 293.415 0.951 20 0 CCADLP C[NH2+]CCCN1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000435869842 389964920 /nfs/dbraw/zinc/96/49/20/389964920.db2.gz CTFPGHDKFNTKEF-UHFFFAOYSA-N 2 2 296.459 0.662 20 0 CCADLP C[NH2+]CCC[NH+]1CCN(c2cc(C)nc3ncnn32)CC1 ZINC000435885473 389965412 /nfs/dbraw/zinc/96/54/12/389965412.db2.gz KMZITVACEZGBMV-UHFFFAOYSA-N 2 2 289.387 0.164 20 0 CCADLP C[C@H](O)CNc1cc(N2CCC[C@@]3(CC[NH2+]C3)C2)nc[nH+]1 ZINC000420251466 389973442 /nfs/dbraw/zinc/97/34/42/389973442.db2.gz LPIPISLXJSPWIB-WFASDCNBSA-N 2 2 291.399 0.849 20 0 CCADLP C[C@H](O)CNc1cc(N2CCC[C@@]3(CC[NH2+]C3)C2)[nH+]cn1 ZINC000420251466 389973443 /nfs/dbraw/zinc/97/34/43/389973443.db2.gz LPIPISLXJSPWIB-WFASDCNBSA-N 2 2 291.399 0.849 20 0 CCADLP C[N@@H+]1CCCN(C(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000434354321 389930584 /nfs/dbraw/zinc/93/05/84/389930584.db2.gz ZQSMYEAJIZFRAN-UHFFFAOYSA-N 2 2 296.415 0.198 20 0 CCADLP C[N@H+]1CCCN(C(=O)NCC2([NH+]3CCOCC3)CC2)CC1 ZINC000434354321 389930586 /nfs/dbraw/zinc/93/05/86/389930586.db2.gz ZQSMYEAJIZFRAN-UHFFFAOYSA-N 2 2 296.415 0.198 20 0 CCADLP COc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)cn1 ZINC000436250776 389973615 /nfs/dbraw/zinc/97/36/15/389973615.db2.gz YUVZBVUKNPMOKH-CYBMUJFWSA-N 2 2 292.383 0.520 20 0 CCADLP COc1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)cn1 ZINC000436250776 389973617 /nfs/dbraw/zinc/97/36/17/389973617.db2.gz YUVZBVUKNPMOKH-CYBMUJFWSA-N 2 2 292.383 0.520 20 0 CCADLP C[C@H]1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)[C@H](C[NH3+])C1 ZINC000420255009 389973895 /nfs/dbraw/zinc/97/38/95/389973895.db2.gz FKUOWXAHKUDXEH-QWRGUYRKSA-N 2 2 287.371 0.638 20 0 CCADLP CCOCC[C@H](O)C[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000434628842 389938912 /nfs/dbraw/zinc/93/89/12/389938912.db2.gz FDIQSFSZYAZFLP-AWEZNQCLSA-N 2 2 296.415 0.325 20 0 CCADLP C[C@H]([NH3+])CCC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000434680754 389941497 /nfs/dbraw/zinc/94/14/97/389941497.db2.gz KRDXTTRCNFGHDP-NSHDSACASA-N 2 2 265.361 0.181 20 0 CCADLP C[N@H+](C1CC([NH3+])C1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000420332040 389984498 /nfs/dbraw/zinc/98/44/98/389984498.db2.gz NBUMYXXHXCQGPC-HACHORDNSA-N 2 2 265.279 0.571 20 0 CCADLP C[N@@H+](C1CC([NH3+])C1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000420332040 389984499 /nfs/dbraw/zinc/98/44/99/389984499.db2.gz NBUMYXXHXCQGPC-HACHORDNSA-N 2 2 265.279 0.571 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N1CC[NH2+]C[C@](C)(F)C1 ZINC000420340775 389986204 /nfs/dbraw/zinc/98/62/04/389986204.db2.gz UJHKBCLHIPZDDQ-STQMWFEESA-N 2 2 259.369 0.341 20 0 CCADLP CN(CC1CC1)C(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420345903 389987406 /nfs/dbraw/zinc/98/74/06/389987406.db2.gz BWGVMXKIJKFQFW-OAHLLOKOSA-N 2 2 265.401 0.930 20 0 CCADLP CN(CC1CC1)C(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420345903 389987408 /nfs/dbraw/zinc/98/74/08/389987408.db2.gz BWGVMXKIJKFQFW-OAHLLOKOSA-N 2 2 265.401 0.930 20 0 CCADLP C[N@@H+](CC(=O)N[C@@H](c1ccccc1)C1CC1)C[C@H](O)C[NH3+] ZINC000420348963 389987738 /nfs/dbraw/zinc/98/77/38/389987738.db2.gz BINNJUVVSMYFQC-ZBFHGGJFSA-N 2 2 291.395 0.505 20 0 CCADLP C[N@H+](CC(=O)N[C@@H](c1ccccc1)C1CC1)C[C@H](O)C[NH3+] ZINC000420348963 389987740 /nfs/dbraw/zinc/98/77/40/389987740.db2.gz BINNJUVVSMYFQC-ZBFHGGJFSA-N 2 2 291.395 0.505 20 0 CCADLP C[N@@H+](CC(=O)N[C@@H]1CCCc2ccccc21)C[C@H](O)C[NH3+] ZINC000420348933 389987754 /nfs/dbraw/zinc/98/77/54/389987754.db2.gz BFDFPGRZHLLAQN-UKRRQHHQSA-N 2 2 291.395 0.432 20 0 CCADLP C[N@H+](CC(=O)N[C@@H]1CCCc2ccccc21)C[C@H](O)C[NH3+] ZINC000420348933 389987756 /nfs/dbraw/zinc/98/77/56/389987756.db2.gz BFDFPGRZHLLAQN-UKRRQHHQSA-N 2 2 291.395 0.432 20 0 CCADLP C[N@@H+](CC(=O)NCCCC1CCCCC1)C[C@@H](O)C[NH3+] ZINC000420349721 389988346 /nfs/dbraw/zinc/98/83/46/389988346.db2.gz DRZPSHFQUAZKFY-AWEZNQCLSA-N 2 2 285.432 0.715 20 0 CCADLP C[N@H+](CC(=O)NCCCC1CCCCC1)C[C@@H](O)C[NH3+] ZINC000420349721 389988349 /nfs/dbraw/zinc/98/83/49/389988349.db2.gz DRZPSHFQUAZKFY-AWEZNQCLSA-N 2 2 285.432 0.715 20 0 CCADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C[NH3+])cc1C ZINC000420351492 389989121 /nfs/dbraw/zinc/98/91/21/389989121.db2.gz KGUXKMLOYYRMHI-TZMCWYRMSA-N 2 2 279.384 0.882 20 0 CCADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C[NH3+])cc1C ZINC000420351492 389989123 /nfs/dbraw/zinc/98/91/23/389989123.db2.gz KGUXKMLOYYRMHI-TZMCWYRMSA-N 2 2 279.384 0.882 20 0 CCADLP CCc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000420353638 389989473 /nfs/dbraw/zinc/98/94/73/389989473.db2.gz NLHLUNLWCQOWLV-BXUZGUMPSA-N 2 2 279.384 0.827 20 0 CCADLP CCc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000420353638 389989475 /nfs/dbraw/zinc/98/94/75/389989475.db2.gz NLHLUNLWCQOWLV-BXUZGUMPSA-N 2 2 279.384 0.827 20 0 CCADLP COC(=O)CCNC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420355103 389990153 /nfs/dbraw/zinc/99/01/53/389990153.db2.gz BRQQWQXHZHSMTO-GFCCVEGCSA-N 2 2 285.388 0.163 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH3+])[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000420356152 389991043 /nfs/dbraw/zinc/99/10/43/389991043.db2.gz QNEYCTIHFIQYCX-STQMWFEESA-N 2 2 297.786 0.697 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH3+])[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000420356152 389991044 /nfs/dbraw/zinc/99/10/44/389991044.db2.gz QNEYCTIHFIQYCX-STQMWFEESA-N 2 2 297.786 0.697 20 0 CCADLP CCCNC(=O)NC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420358994 389991341 /nfs/dbraw/zinc/99/13/41/389991341.db2.gz KAASKTBAJLMMBR-LBPRGKRZSA-N 2 2 284.404 0.719 20 0 CCADLP Cc1ccccc1C[C@H](C)NC(=O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000420362567 389992202 /nfs/dbraw/zinc/99/22/02/389992202.db2.gz ZDKXSIXTFXIRGD-DZGCQCFKSA-N 2 2 293.411 0.294 20 0 CCADLP Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420362567 389992203 /nfs/dbraw/zinc/99/22/03/389992203.db2.gz ZDKXSIXTFXIRGD-DZGCQCFKSA-N 2 2 293.411 0.294 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccncc1 ZINC000420363823 389992436 /nfs/dbraw/zinc/99/24/36/389992436.db2.gz JXFIXLPDBAWTCN-GYSYKLTISA-N 2 2 262.357 0.418 20 0 CCADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CCCOCC1 ZINC000449392584 389993341 /nfs/dbraw/zinc/99/33/41/389993341.db2.gz KLHFRVRJBQWHKI-KBPBESRZSA-N 2 2 256.390 0.992 20 0 CCADLP OCC[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CCCOCC1 ZINC000449392584 389993343 /nfs/dbraw/zinc/99/33/43/389993343.db2.gz KLHFRVRJBQWHKI-KBPBESRZSA-N 2 2 256.390 0.992 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)C[C@@H](C)O1 ZINC000420372609 389993974 /nfs/dbraw/zinc/99/39/74/389993974.db2.gz QGHAFOCWRJCXKN-FTQJZPFOSA-N 2 2 283.416 0.598 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](OC)[C@@H](C)C2)CC1 ZINC000451551335 390002795 /nfs/dbraw/zinc/00/27/95/390002795.db2.gz WEWHFMUUYRTLIT-KKUMJFAQSA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](OC)[C@@H](C)C2)CC1 ZINC000451551335 390002796 /nfs/dbraw/zinc/00/27/96/390002796.db2.gz WEWHFMUUYRTLIT-KKUMJFAQSA-N 2 2 297.443 0.896 20 0 CCADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCC[NH+]1C1CC1 ZINC000456196233 390013159 /nfs/dbraw/zinc/01/31/59/390013159.db2.gz CILOUIIOWRDWLL-QLFBSQMISA-N 2 2 293.411 0.593 20 0 CCADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCC[NH+]1C1CC1 ZINC000456196233 390013161 /nfs/dbraw/zinc/01/31/61/390013161.db2.gz CILOUIIOWRDWLL-QLFBSQMISA-N 2 2 293.411 0.593 20 0 CCADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCC[N@@H+]1C1CC1 ZINC000456196233 390013162 /nfs/dbraw/zinc/01/31/62/390013162.db2.gz CILOUIIOWRDWLL-QLFBSQMISA-N 2 2 293.411 0.593 20 0 CCADLP O=C(NCC[NH+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCC[N@H+]1C1CC1 ZINC000456196233 390013164 /nfs/dbraw/zinc/01/31/64/390013164.db2.gz CILOUIIOWRDWLL-QLFBSQMISA-N 2 2 293.411 0.593 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC000439120431 390014958 /nfs/dbraw/zinc/01/49/58/390014958.db2.gz RHOCUZNTUKUTPH-GFCCVEGCSA-N 2 2 296.419 0.173 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000439120431 390014960 /nfs/dbraw/zinc/01/49/60/390014960.db2.gz RHOCUZNTUKUTPH-GFCCVEGCSA-N 2 2 296.419 0.173 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000457000476 390023840 /nfs/dbraw/zinc/02/38/40/390023840.db2.gz UTROCTKUDBSGBZ-HUUCEWRRSA-N 2 2 289.379 0.490 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000457000476 390023843 /nfs/dbraw/zinc/02/38/43/390023843.db2.gz UTROCTKUDBSGBZ-HUUCEWRRSA-N 2 2 289.379 0.490 20 0 CCADLP CS[C@H]1CN(CCc2c[nH+]cn2C)C[C@H]1[NH+](C)C ZINC000459391240 390073935 /nfs/dbraw/zinc/07/39/35/390073935.db2.gz OIYYUUAKSYSLAN-OLZOCXBDSA-N 2 2 268.430 0.940 20 0 CCADLP CS[C@H]1C[N@H+](CCc2c[nH+]cn2C)C[C@H]1N(C)C ZINC000459391240 390073936 /nfs/dbraw/zinc/07/39/36/390073936.db2.gz OIYYUUAKSYSLAN-OLZOCXBDSA-N 2 2 268.430 0.940 20 0 CCADLP CS[C@H]1C[N@@H+](CCc2c[nH+]cn2C)C[C@H]1N(C)C ZINC000459391240 390073937 /nfs/dbraw/zinc/07/39/37/390073937.db2.gz OIYYUUAKSYSLAN-OLZOCXBDSA-N 2 2 268.430 0.940 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000459533284 390075962 /nfs/dbraw/zinc/07/59/62/390075962.db2.gz SMDRWRTYHMLFOU-IHRRRGAJSA-N 2 2 281.400 0.450 20 0 CCADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000459533284 390075963 /nfs/dbraw/zinc/07/59/63/390075963.db2.gz SMDRWRTYHMLFOU-IHRRRGAJSA-N 2 2 281.400 0.450 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000459533284 390075964 /nfs/dbraw/zinc/07/59/64/390075964.db2.gz SMDRWRTYHMLFOU-IHRRRGAJSA-N 2 2 281.400 0.450 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000459533284 390075965 /nfs/dbraw/zinc/07/59/65/390075965.db2.gz SMDRWRTYHMLFOU-IHRRRGAJSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000469654443 390077322 /nfs/dbraw/zinc/07/73/22/390077322.db2.gz PEIOAOTYQLYSIY-KKUMJFAQSA-N 2 2 296.459 0.469 20 0 CCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000469654443 390077323 /nfs/dbraw/zinc/07/73/23/390077323.db2.gz PEIOAOTYQLYSIY-KKUMJFAQSA-N 2 2 296.459 0.469 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H]1CCSC1 ZINC000487285680 390085301 /nfs/dbraw/zinc/08/53/01/390085301.db2.gz CBEVEIIEHYVBGL-RYUDHWBXSA-N 2 2 271.430 0.669 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H]1CCSC1 ZINC000487285680 390085302 /nfs/dbraw/zinc/08/53/02/390085302.db2.gz CBEVEIIEHYVBGL-RYUDHWBXSA-N 2 2 271.430 0.669 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[C@H]2OCC[NH+](C)[C@H]2C1 ZINC000488364224 390092968 /nfs/dbraw/zinc/09/29/68/390092968.db2.gz HDMSMTGZHQJQAD-ZOBORPQBSA-N 2 2 281.400 0.116 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[C@H]2OCC[NH+](C)[C@H]2C1 ZINC000488364224 390092969 /nfs/dbraw/zinc/09/29/69/390092969.db2.gz HDMSMTGZHQJQAD-ZOBORPQBSA-N 2 2 281.400 0.116 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000488364224 390092970 /nfs/dbraw/zinc/09/29/70/390092970.db2.gz HDMSMTGZHQJQAD-ZOBORPQBSA-N 2 2 281.400 0.116 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000488364224 390092971 /nfs/dbraw/zinc/09/29/71/390092971.db2.gz HDMSMTGZHQJQAD-ZOBORPQBSA-N 2 2 281.400 0.116 20 0 CCADLP CC[C@H](CNc1nc(C)[nH+]c(N(C)C)n1)[NH+]1CCCC1 ZINC000488367792 390093275 /nfs/dbraw/zinc/09/32/75/390093275.db2.gz NKXLTQOCAUTCIV-GFCCVEGCSA-N 2 2 278.404 0.954 20 0 CCADLP CCOCC[NH+]1CCN(c2nc(C)[nH+]c(N(C)C)n2)CC1 ZINC000488364433 390093369 /nfs/dbraw/zinc/09/33/69/390093369.db2.gz GZYFCFYGPWEXOS-UHFFFAOYSA-N 2 2 294.403 0.405 20 0 CCADLP C[C@H]1C[C@H]1C[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000488424746 390093637 /nfs/dbraw/zinc/09/36/37/390093637.db2.gz YUJCJLWPCBZUKY-GJZGRUSLSA-N 2 2 269.433 0.622 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)N1CC[NH+](CC)CC1 ZINC000459007494 390067238 /nfs/dbraw/zinc/06/72/38/390067238.db2.gz JUIDPFZRLPDMRF-UHFFFAOYSA-N 2 2 265.361 0.750 20 0 CCADLP Cc1ccc(/C=C\C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])nc1 ZINC000493229199 390121210 /nfs/dbraw/zinc/12/12/10/390121210.db2.gz YWZNGWYLQLMPJK-GXMNPTEKSA-N 2 2 274.368 0.505 20 0 CCADLP Cc1ccc(/C=C\C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])nc1 ZINC000493229199 390121211 /nfs/dbraw/zinc/12/12/11/390121211.db2.gz YWZNGWYLQLMPJK-GXMNPTEKSA-N 2 2 274.368 0.505 20 0 CCADLP C[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000493235208 390121455 /nfs/dbraw/zinc/12/14/55/390121455.db2.gz FLVKJEIZPOLAHJ-XDYXTIEYSA-N 2 2 290.367 0.602 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)NCC[NH+]1CCSCC1 ZINC000493247345 390121509 /nfs/dbraw/zinc/12/15/09/390121509.db2.gz CTKQDOLTDCIXDW-UPHRSURJSA-N 2 2 266.370 0.588 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](c3ccncc3)C2)CC1 ZINC000579021845 390136598 /nfs/dbraw/zinc/13/65/98/390136598.db2.gz IMQAHJRRIMMDTE-HNNXBMFYSA-N 2 2 288.395 0.645 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](c3ccncc3)C2)CC1 ZINC000579021845 390136599 /nfs/dbraw/zinc/13/65/99/390136599.db2.gz IMQAHJRRIMMDTE-HNNXBMFYSA-N 2 2 288.395 0.645 20 0 CCADLP CC[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000579083360 390139708 /nfs/dbraw/zinc/13/97/08/390139708.db2.gz BGZVTXDCCNVOLX-QMIVOQANSA-N 2 2 286.416 0.614 20 0 CCADLP C[C@@H](C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1)CS(C)(=O)=O ZINC000535315503 390142823 /nfs/dbraw/zinc/14/28/23/390142823.db2.gz XUODBWDRAYFKTB-RYUDHWBXSA-N 2 2 285.413 0.890 20 0 CCADLP C[C@@H](C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1)CS(C)(=O)=O ZINC000535315503 390142827 /nfs/dbraw/zinc/14/28/27/390142827.db2.gz XUODBWDRAYFKTB-RYUDHWBXSA-N 2 2 285.413 0.890 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCN2CCCC2=O)C1 ZINC000535713613 390147375 /nfs/dbraw/zinc/14/73/75/390147375.db2.gz CVDFIVXHXDDWGM-LBPRGKRZSA-N 2 2 262.357 0.832 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC000535713613 390147378 /nfs/dbraw/zinc/14/73/78/390147378.db2.gz CVDFIVXHXDDWGM-LBPRGKRZSA-N 2 2 262.357 0.832 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000644150325 390148274 /nfs/dbraw/zinc/14/82/74/390148274.db2.gz JUUGVSRLXFARAZ-NEPJUHHUSA-N 2 2 262.357 0.632 20 0 CCADLP C[N@H+](CCC[NH3+])CC(=O)N[C@H]1CCOc2ccccc21 ZINC000647849207 390191504 /nfs/dbraw/zinc/19/15/04/390191504.db2.gz LFYOIBNEPLZCSE-ZDUSSCGKSA-N 2 2 277.368 0.907 20 0 CCADLP C[N@@H+](CCC[NH3+])CC(=O)N[C@H]1CCOc2ccccc21 ZINC000647849207 390191506 /nfs/dbraw/zinc/19/15/06/390191506.db2.gz LFYOIBNEPLZCSE-ZDUSSCGKSA-N 2 2 277.368 0.907 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCc1ncn(C)n1 ZINC000647801266 390176501 /nfs/dbraw/zinc/17/65/01/390176501.db2.gz TVGSOISTHVJWJQ-NWDGAFQWSA-N 2 2 267.377 0.104 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CS(=O)(=O)CCO2)[C@H](C)C1 ZINC000539066811 390201957 /nfs/dbraw/zinc/20/19/57/390201957.db2.gz QUMOZGDGFFAMSJ-AGIUHOORSA-N 2 2 290.429 0.120 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CS(=O)(=O)CCO2)[C@H](C)C1 ZINC000539066811 390201960 /nfs/dbraw/zinc/20/19/60/390201960.db2.gz QUMOZGDGFFAMSJ-AGIUHOORSA-N 2 2 290.429 0.120 20 0 CCADLP C[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)S(C)(=O)=O ZINC000539296154 390204380 /nfs/dbraw/zinc/20/43/80/390204380.db2.gz XJJUEIUKPNUEHW-LLVKDONJSA-N 2 2 274.430 0.884 20 0 CCADLP O=C(C[NH+]1CCN(c2[nH+]ccc3[nH]ccc32)CC1)NC1CC1 ZINC000647850540 390192426 /nfs/dbraw/zinc/19/24/26/390192426.db2.gz PMMLDVTWWSVDNT-UHFFFAOYSA-N 2 2 299.378 0.964 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)Nc1ccon1 ZINC000647858624 390195458 /nfs/dbraw/zinc/19/54/58/390195458.db2.gz MIFARZXQJLMLCD-SNVBAGLBSA-N 2 2 254.334 0.340 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)Nc1ccon1 ZINC000647858624 390195459 /nfs/dbraw/zinc/19/54/59/390195459.db2.gz MIFARZXQJLMLCD-SNVBAGLBSA-N 2 2 254.334 0.340 20 0 CCADLP CC[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C1CCOCC1 ZINC000579691227 390197933 /nfs/dbraw/zinc/19/79/33/390197933.db2.gz JWCDHEBGDQJHKY-UONOGXRCSA-N 2 2 298.431 0.476 20 0 CCADLP CC[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C1CCOCC1 ZINC000579691227 390197935 /nfs/dbraw/zinc/19/79/35/390197935.db2.gz JWCDHEBGDQJHKY-UONOGXRCSA-N 2 2 298.431 0.476 20 0 CCADLP CCCCNC(=O)CC[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000647865716 390198184 /nfs/dbraw/zinc/19/81/84/390198184.db2.gz RGVKZZWIHMABGG-NEPJUHHUSA-N 2 2 257.378 0.341 20 0 CCADLP CCCCNC(=O)CC[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000647865716 390198187 /nfs/dbraw/zinc/19/81/87/390198187.db2.gz RGVKZZWIHMABGG-NEPJUHHUSA-N 2 2 257.378 0.341 20 0 CCADLP CCCn1ncnc1C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000580312285 390237884 /nfs/dbraw/zinc/23/78/84/390237884.db2.gz DNEZFHNEOQIWRQ-CYBMUJFWSA-N 2 2 293.415 0.875 20 0 CCADLP CCCn1ncnc1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000580312285 390237885 /nfs/dbraw/zinc/23/78/85/390237885.db2.gz DNEZFHNEOQIWRQ-CYBMUJFWSA-N 2 2 293.415 0.875 20 0 CCADLP CCO[C@H](CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C(C)C ZINC000580324113 390238628 /nfs/dbraw/zinc/23/86/28/390238628.db2.gz ZXYICPPJLSVEJJ-QWHCGFSZSA-N 2 2 271.405 0.539 20 0 CCADLP CCO[C@H](CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C(C)C ZINC000580324113 390238629 /nfs/dbraw/zinc/23/86/29/390238629.db2.gz ZXYICPPJLSVEJJ-QWHCGFSZSA-N 2 2 271.405 0.539 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]CCOC[C@H]1CCOC1)C1CC1 ZINC000644558191 390252026 /nfs/dbraw/zinc/25/20/26/390252026.db2.gz VNZFSGQCHKPQJR-GXTWGEPZSA-N 2 2 272.389 0.084 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]CCOC[C@H]1CCOC1)C1CC1 ZINC000644558191 390252028 /nfs/dbraw/zinc/25/20/28/390252028.db2.gz VNZFSGQCHKPQJR-GXTWGEPZSA-N 2 2 272.389 0.084 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1)Cn1cccn1 ZINC000644556887 390252333 /nfs/dbraw/zinc/25/23/33/390252333.db2.gz ULTUSOFXNIQLPX-ZIAGYGMSSA-N 2 2 264.373 0.318 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)Cn1cccn1 ZINC000644556887 390252335 /nfs/dbraw/zinc/25/23/35/390252335.db2.gz ULTUSOFXNIQLPX-ZIAGYGMSSA-N 2 2 264.373 0.318 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]CC(C)(C)N1CC[NH+](C)CC1)C1CC1 ZINC000644562482 390254003 /nfs/dbraw/zinc/25/40/03/390254003.db2.gz UUPUWUJCLPOIHJ-HNNXBMFYSA-N 3 2 298.475 0.057 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]CC(C)(C)N1CC[NH+](C)CC1)C1CC1 ZINC000644562482 390254005 /nfs/dbraw/zinc/25/40/05/390254005.db2.gz UUPUWUJCLPOIHJ-HNNXBMFYSA-N 3 2 298.475 0.057 20 0 CCADLP CC(C)c1cc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)on1 ZINC000644568190 390255042 /nfs/dbraw/zinc/25/50/42/390255042.db2.gz XKGCTZGGAIIEAW-CYBMUJFWSA-N 2 2 296.415 0.496 20 0 CCADLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)Cn1cccn1 ZINC000644569365 390255485 /nfs/dbraw/zinc/25/54/85/390255485.db2.gz MCHKPYYMAGPYKB-UONOGXRCSA-N 2 2 266.389 0.708 20 0 CCADLP C[C@@H](C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)[NH+]1CC(C)C1 ZINC000582131330 390262825 /nfs/dbraw/zinc/26/28/25/390262825.db2.gz DVWLSQQZZSGTBH-XQQFMLRXSA-N 2 2 253.390 0.878 20 0 CCADLP C[C@@H](C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)[NH+]1CC(C)C1 ZINC000582131330 390262830 /nfs/dbraw/zinc/26/28/30/390262830.db2.gz DVWLSQQZZSGTBH-XQQFMLRXSA-N 2 2 253.390 0.878 20 0 CCADLP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000644641328 390273790 /nfs/dbraw/zinc/27/37/90/390273790.db2.gz SABYDLPEVJUUJY-GXTWGEPZSA-N 2 2 278.400 0.842 20 0 CCADLP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000644641328 390273795 /nfs/dbraw/zinc/27/37/95/390273795.db2.gz SABYDLPEVJUUJY-GXTWGEPZSA-N 2 2 278.400 0.842 20 0 CCADLP CCc1cc(NCC[N@@H+]2CCO[C@H](C)C2)nc(C)[nH+]1 ZINC000542949276 390277142 /nfs/dbraw/zinc/27/71/42/390277142.db2.gz PNZCKMQSJVFNEG-LLVKDONJSA-N 2 2 264.373 0.902 20 0 CCADLP CCc1cc(NCC[N@H+]2CCO[C@H](C)C2)nc(C)[nH+]1 ZINC000542949276 390277144 /nfs/dbraw/zinc/27/71/44/390277144.db2.gz PNZCKMQSJVFNEG-LLVKDONJSA-N 2 2 264.373 0.902 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000583760669 390309065 /nfs/dbraw/zinc/30/90/65/390309065.db2.gz IGHUQIDYFVDUHD-QEJZJMRPSA-N 2 2 286.416 0.425 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000583760669 390309067 /nfs/dbraw/zinc/30/90/67/390309067.db2.gz IGHUQIDYFVDUHD-QEJZJMRPSA-N 2 2 286.416 0.425 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000583760669 390309068 /nfs/dbraw/zinc/30/90/68/390309068.db2.gz IGHUQIDYFVDUHD-QEJZJMRPSA-N 2 2 286.416 0.425 20 0 CCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000648172466 390327060 /nfs/dbraw/zinc/32/70/60/390327060.db2.gz QOMKCKBDSRUSLR-CYBMUJFWSA-N 2 2 292.383 0.556 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCOC[C@@H]2C)CC[N@@H+]1C ZINC000648769279 390405551 /nfs/dbraw/zinc/40/55/51/390405551.db2.gz PDYULNWBEKPDJD-YNEHKIRRSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCOC[C@@H]2C)CC[N@H+]1C ZINC000648769279 390405553 /nfs/dbraw/zinc/40/55/53/390405553.db2.gz PDYULNWBEKPDJD-YNEHKIRRSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC[NH+]1C ZINC000648769279 390405555 /nfs/dbraw/zinc/40/55/55/390405555.db2.gz PDYULNWBEKPDJD-YNEHKIRRSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC[NH+]1C ZINC000648769279 390405558 /nfs/dbraw/zinc/40/55/58/390405558.db2.gz PDYULNWBEKPDJD-YNEHKIRRSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H]1C[NH+](CCCNC(=O)Cc2c[nH+]cn2C)C[C@@H](C)O1 ZINC000547864081 390406148 /nfs/dbraw/zinc/40/61/48/390406148.db2.gz PPWWSGQYCNLASX-CHWSQXEVSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@@H](CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1)[N@H+](C)C1CC1 ZINC000548001580 390413804 /nfs/dbraw/zinc/41/38/04/390413804.db2.gz ROZHSLNJTAPNOV-NWDGAFQWSA-N 2 2 291.399 0.980 20 0 CCADLP C[C@@H](CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1)[N@@H+](C)C1CC1 ZINC000548001580 390413806 /nfs/dbraw/zinc/41/38/06/390413806.db2.gz ROZHSLNJTAPNOV-NWDGAFQWSA-N 2 2 291.399 0.980 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000639499749 390418407 /nfs/dbraw/zinc/41/84/07/390418407.db2.gz FHSAOZHVEVFPIE-HNNXBMFYSA-N 2 2 278.400 0.759 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000639499749 390418409 /nfs/dbraw/zinc/41/84/09/390418409.db2.gz FHSAOZHVEVFPIE-HNNXBMFYSA-N 2 2 278.400 0.759 20 0 CCADLP COC(C)(C)[C@@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000645398905 390419769 /nfs/dbraw/zinc/41/97/69/390419769.db2.gz MHFBNGRGVXTUDW-LLVKDONJSA-N 2 2 257.378 0.164 20 0 CCADLP CCOC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000497253109 390445032 /nfs/dbraw/zinc/44/50/32/390445032.db2.gz PCNSOARTLSXVIY-OLZOCXBDSA-N 2 2 287.404 0.510 20 0 CCADLP CCOC(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000497253109 390445033 /nfs/dbraw/zinc/44/50/33/390445033.db2.gz PCNSOARTLSXVIY-OLZOCXBDSA-N 2 2 287.404 0.510 20 0 CCADLP CCOC(=O)N[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)CC)C1 ZINC000497253109 390445039 /nfs/dbraw/zinc/44/50/39/390445039.db2.gz PCNSOARTLSXVIY-OLZOCXBDSA-N 2 2 287.404 0.510 20 0 CCADLP CCOC(=O)N[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000497253109 390445041 /nfs/dbraw/zinc/44/50/41/390445041.db2.gz PCNSOARTLSXVIY-OLZOCXBDSA-N 2 2 287.404 0.510 20 0 CCADLP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000645246203 390395804 /nfs/dbraw/zinc/39/58/04/390395804.db2.gz DFIWXFHJIFAELS-CQSZACIVSA-N 2 2 288.395 0.724 20 0 CCADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C1CCCC1 ZINC000517225697 390489036 /nfs/dbraw/zinc/48/90/36/390489036.db2.gz AYRIZKXNINHIDJ-WCQYABFASA-N 2 2 268.405 0.849 20 0 CCADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C1CCCC1 ZINC000517225697 390489038 /nfs/dbraw/zinc/48/90/38/390489038.db2.gz AYRIZKXNINHIDJ-WCQYABFASA-N 2 2 268.405 0.849 20 0 CCADLP c1n[nH]c([C@H]([NH2+]CCN2CC[NH2+]CC2)C2CCCCC2)n1 ZINC000565357343 390505360 /nfs/dbraw/zinc/50/53/60/390505360.db2.gz FCJXYJNNAIPNQU-CQSZACIVSA-N 2 2 292.431 0.921 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000565411169 390510655 /nfs/dbraw/zinc/51/06/55/390510655.db2.gz JEIJWUPHDYTFFE-MCIONIFRSA-N 2 2 296.415 0.243 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000514854756 390470049 /nfs/dbraw/zinc/47/00/49/390470049.db2.gz KRAHGEKOFNFOTP-NDBYEHHHSA-N 2 2 274.430 0.930 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCC[C@H]1C[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000649323211 390581557 /nfs/dbraw/zinc/58/15/57/390581557.db2.gz NMAIMQKWFRPGCP-XDQVBPFNSA-N 2 2 283.416 0.587 20 0 CCADLP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000649335868 390592653 /nfs/dbraw/zinc/59/26/53/390592653.db2.gz HBKFAHBMRFLCCK-UTUOFQBUSA-N 2 2 260.341 0.866 20 0 CCADLP C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000649210137 390523789 /nfs/dbraw/zinc/52/37/89/390523789.db2.gz NWFLJKJGUUPPQE-NWDGAFQWSA-N 2 2 262.357 0.656 20 0 CCADLP C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000649210137 390523792 /nfs/dbraw/zinc/52/37/92/390523792.db2.gz NWFLJKJGUUPPQE-NWDGAFQWSA-N 2 2 262.357 0.656 20 0 CCADLP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000649335868 390592654 /nfs/dbraw/zinc/59/26/54/390592654.db2.gz HBKFAHBMRFLCCK-UTUOFQBUSA-N 2 2 260.341 0.866 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CCO1 ZINC000565661466 390533991 /nfs/dbraw/zinc/53/39/91/390533991.db2.gz SLMUZIMFHSEZLB-UPJWGTAASA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CCO1 ZINC000565661466 390533997 /nfs/dbraw/zinc/53/39/97/390533997.db2.gz SLMUZIMFHSEZLB-UPJWGTAASA-N 2 2 269.389 0.341 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000649334397 390590075 /nfs/dbraw/zinc/59/00/75/390590075.db2.gz CAIXBFKIVFMAGW-ZDUSSCGKSA-N 2 2 289.339 0.372 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CC(C)C2)CC[N@@H+]1C[C@@H](C)O ZINC000565784153 390545394 /nfs/dbraw/zinc/54/53/94/390545394.db2.gz PKGZCBUPWUOCAP-RBSFLKMASA-N 2 2 297.443 0.630 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CC(C)C2)CC[N@H+]1C[C@@H](C)O ZINC000565784153 390545398 /nfs/dbraw/zinc/54/53/98/390545398.db2.gz PKGZCBUPWUOCAP-RBSFLKMASA-N 2 2 297.443 0.630 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@H](C)[NH+]2CC(C)C2)CC[N@@H+]1C[C@@H](C)O ZINC000565784152 390546078 /nfs/dbraw/zinc/54/60/78/390546078.db2.gz PKGZCBUPWUOCAP-QLFBSQMISA-N 2 2 297.443 0.630 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@H](C)[NH+]2CC(C)C2)CC[N@H+]1C[C@@H](C)O ZINC000565784152 390546082 /nfs/dbraw/zinc/54/60/82/390546082.db2.gz PKGZCBUPWUOCAP-QLFBSQMISA-N 2 2 297.443 0.630 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3[NH2+]CC3(C)C)C2)CC1 ZINC000645977674 390555633 /nfs/dbraw/zinc/55/56/33/390555633.db2.gz HWZNJBYXDZDTDH-TZMCWYRMSA-N 3 2 294.443 0.269 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3[NH2+]CC3(C)C)C2)CC1 ZINC000645977674 390555636 /nfs/dbraw/zinc/55/56/36/390555636.db2.gz HWZNJBYXDZDTDH-TZMCWYRMSA-N 3 2 294.443 0.269 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CC3([NH3+])CCC3)C2)CC1 ZINC000645978179 390557229 /nfs/dbraw/zinc/55/72/29/390557229.db2.gz WFTHNBGVZDNNFB-ZDUSSCGKSA-N 3 2 294.443 0.543 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CC3([NH3+])CCC3)C2)CC1 ZINC000645978179 390557232 /nfs/dbraw/zinc/55/72/32/390557232.db2.gz WFTHNBGVZDNNFB-ZDUSSCGKSA-N 3 2 294.443 0.543 20 0 CCADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCC(=O)N(C)C3=O)n2c1 ZINC000643802160 390559058 /nfs/dbraw/zinc/55/90/58/390559058.db2.gz LLBFWEIDKQFFEZ-LBPRGKRZSA-N 2 2 286.335 0.880 20 0 CCADLP COc1cccnc1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000566088859 390575375 /nfs/dbraw/zinc/57/53/75/390575375.db2.gz CYNJGXPTYYTHSA-LSDHHAIUSA-N 2 2 277.368 0.947 20 0 CCADLP CCOC[C@H](O)C[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000566615294 390633189 /nfs/dbraw/zinc/63/31/89/390633189.db2.gz ICSYTROOCPCLBS-CYBMUJFWSA-N 2 2 267.373 0.749 20 0 CCADLP CCN(CC)C(=O)C1CC[NH+](C[C@@H](O)C[N@H+](C)CC)CC1 ZINC000566745915 390644065 /nfs/dbraw/zinc/64/40/65/390644065.db2.gz NSHCKRMHACCOBN-HNNXBMFYSA-N 2 2 299.459 0.879 20 0 CCADLP CCN(CC)C(=O)C1CC[NH+](C[C@@H](O)C[N@@H+](C)CC)CC1 ZINC000566745915 390644066 /nfs/dbraw/zinc/64/40/66/390644066.db2.gz NSHCKRMHACCOBN-HNNXBMFYSA-N 2 2 299.459 0.879 20 0 CCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)NC[C@@H]1CCC[NH2+]1 ZINC000566786624 390646342 /nfs/dbraw/zinc/64/63/42/390646342.db2.gz TYCYBKPHRYEGOZ-LBPRGKRZSA-N 2 2 291.399 0.813 20 0 CCADLP COc1nccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)n1 ZINC000646106744 390599050 /nfs/dbraw/zinc/59/90/50/390599050.db2.gz PTYVTFFAKYQRLK-UHFFFAOYSA-N 2 2 292.383 0.782 20 0 CCADLP COc1nccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)n1 ZINC000646106744 390599055 /nfs/dbraw/zinc/59/90/55/390599055.db2.gz PTYVTFFAKYQRLK-UHFFFAOYSA-N 2 2 292.383 0.782 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@]2(C)CCCO2)C[C@H](C)O1 ZINC000521227316 390599384 /nfs/dbraw/zinc/59/93/84/390599384.db2.gz CZLZCPBPJOVSEY-BARDWOONSA-N 2 2 286.416 0.615 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@]2(C)CCCO2)C[C@H](C)O1 ZINC000521227316 390599390 /nfs/dbraw/zinc/59/93/90/390599390.db2.gz CZLZCPBPJOVSEY-BARDWOONSA-N 2 2 286.416 0.615 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]CCc1cn2c([nH+]1)CCCC2)C1CC1 ZINC000567605444 390706001 /nfs/dbraw/zinc/70/60/01/390706001.db2.gz TWAZHKOUDVXBRX-OAHLLOKOSA-N 3 2 292.427 0.807 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]CCc1cn2c([nH+]1)CCCC2)C1CC1 ZINC000567605444 390706002 /nfs/dbraw/zinc/70/60/02/390706002.db2.gz TWAZHKOUDVXBRX-OAHLLOKOSA-N 3 2 292.427 0.807 20 0 CCADLP C[C@H](CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccncc1 ZINC000646833177 390725866 /nfs/dbraw/zinc/72/58/66/390725866.db2.gz LSHFDEUFEVDDRO-OCCSQVGLSA-N 2 2 276.384 0.677 20 0 CCADLP C[C@H](CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccncc1 ZINC000646833177 390725868 /nfs/dbraw/zinc/72/58/68/390725868.db2.gz LSHFDEUFEVDDRO-OCCSQVGLSA-N 2 2 276.384 0.677 20 0 CCADLP C[C@@H](NC(=O)CC(C)(C)C)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000646835527 390726303 /nfs/dbraw/zinc/72/63/03/390726303.db2.gz XVAUADSBLHPGBU-VXGBXAGGSA-N 2 2 298.431 0.029 20 0 CCADLP C[C@@H](NC(=O)CC(C)(C)C)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000646835527 390726306 /nfs/dbraw/zinc/72/63/06/390726306.db2.gz XVAUADSBLHPGBU-VXGBXAGGSA-N 2 2 298.431 0.029 20 0 CCADLP Cc1ccc(C)c(OCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000646835540 390726430 /nfs/dbraw/zinc/72/64/30/390726430.db2.gz ZHRGSDAZNDALKU-AWEZNQCLSA-N 2 2 291.395 0.784 20 0 CCADLP Cc1ccc(C)c(OCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000646835540 390726434 /nfs/dbraw/zinc/72/64/34/390726434.db2.gz ZHRGSDAZNDALKU-AWEZNQCLSA-N 2 2 291.395 0.784 20 0 CCADLP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000646837253 390726569 /nfs/dbraw/zinc/72/65/69/390726569.db2.gz NFBFEAFQMJXAIN-WPRPVWTQSA-N 2 2 256.375 0.777 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000571236746 390727219 /nfs/dbraw/zinc/72/72/19/390727219.db2.gz LGBXUONNOLRCIH-OLZOCXBDSA-N 2 2 285.457 0.976 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000571236746 390727221 /nfs/dbraw/zinc/72/72/21/390727221.db2.gz LGBXUONNOLRCIH-OLZOCXBDSA-N 2 2 285.457 0.976 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000566998866 390665069 /nfs/dbraw/zinc/66/50/69/390665069.db2.gz WQCLQWHSLWXHLB-KGLIPLIRSA-N 2 2 281.400 0.261 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000566998866 390665071 /nfs/dbraw/zinc/66/50/71/390665071.db2.gz WQCLQWHSLWXHLB-KGLIPLIRSA-N 2 2 281.400 0.261 20 0 CCADLP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+]([C@@H]2COC[C@H]2O)C1 ZINC000567007422 390665193 /nfs/dbraw/zinc/66/51/93/390665193.db2.gz GMYJGGMXJLEUFH-BZUAXINKSA-N 2 2 291.395 0.595 20 0 CCADLP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+]([C@@H]2COC[C@H]2O)C1 ZINC000567007422 390665197 /nfs/dbraw/zinc/66/51/97/390665197.db2.gz GMYJGGMXJLEUFH-BZUAXINKSA-N 2 2 291.395 0.595 20 0 CCADLP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+]([C@@H]2COC[C@H]2O)C1 ZINC000567007422 390665200 /nfs/dbraw/zinc/66/52/00/390665200.db2.gz GMYJGGMXJLEUFH-BZUAXINKSA-N 2 2 291.395 0.595 20 0 CCADLP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+]([C@@H]2COC[C@H]2O)C1 ZINC000567007422 390665203 /nfs/dbraw/zinc/66/52/03/390665203.db2.gz GMYJGGMXJLEUFH-BZUAXINKSA-N 2 2 291.395 0.595 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000567047556 390667989 /nfs/dbraw/zinc/66/79/89/390667989.db2.gz JLLFAVDOPJGWCQ-STQMWFEESA-N 2 2 298.431 0.077 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000567047556 390667990 /nfs/dbraw/zinc/66/79/90/390667990.db2.gz JLLFAVDOPJGWCQ-STQMWFEESA-N 2 2 298.431 0.077 20 0 CCADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](C)[NH3+])C2)CC1 ZINC000567051873 390668472 /nfs/dbraw/zinc/66/84/72/390668472.db2.gz CEXFTTAIXIBLCY-KGLIPLIRSA-N 3 2 254.422 0.434 20 0 CCADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](C)[NH3+])C2)CC1 ZINC000567051873 390668473 /nfs/dbraw/zinc/66/84/73/390668473.db2.gz CEXFTTAIXIBLCY-KGLIPLIRSA-N 3 2 254.422 0.434 20 0 CCADLP Cc1cc(NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)nc[nH+]1 ZINC000528129948 285386485 /nfs/dbraw/zinc/38/64/85/285386485.db2.gz IAZCYTQWIMVABC-OAHLLOKOSA-N 2 2 292.383 0.235 20 0 CCADLP Cc1cc(NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)nc[nH+]1 ZINC000528129948 285386487 /nfs/dbraw/zinc/38/64/87/285386487.db2.gz IAZCYTQWIMVABC-OAHLLOKOSA-N 2 2 292.383 0.235 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)c2ccc3c(c2)C[NH2+]C3)CCO1 ZINC000567051110 390668768 /nfs/dbraw/zinc/66/87/68/390668768.db2.gz FANLRVMEJNBWAL-LBPRGKRZSA-N 2 2 289.379 0.740 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)c2ccc3c(c2)C[NH2+]C3)CCO1 ZINC000567051110 390668770 /nfs/dbraw/zinc/66/87/70/390668770.db2.gz FANLRVMEJNBWAL-LBPRGKRZSA-N 2 2 289.379 0.740 20 0 CCADLP CO[C@H](C[NH3+])C(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000646516146 390689314 /nfs/dbraw/zinc/68/93/14/390689314.db2.gz LJQQSGPLSGDFIH-GFCCVEGCSA-N 2 2 274.324 0.667 20 0 CCADLP Nc1cc[nH+]cc1C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000567387734 390696861 /nfs/dbraw/zinc/69/68/61/390696861.db2.gz HILHTCOSJHDTRK-UHFFFAOYSA-N 2 2 297.362 0.847 20 0 CCADLP CC(C)(C[NH3+])NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000571804109 390753944 /nfs/dbraw/zinc/75/39/44/390753944.db2.gz HNJICRYJEQNBNP-UHFFFAOYSA-N 2 2 260.301 0.129 20 0 CCADLP C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C[NH+]1CCOCC1 ZINC000572044944 390765237 /nfs/dbraw/zinc/76/52/37/390765237.db2.gz GCKKXVBJLSWANN-KGLIPLIRSA-N 2 2 294.399 0.919 20 0 CCADLP CNC(=O)CC[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528726549 390771715 /nfs/dbraw/zinc/77/17/15/390771715.db2.gz DLKNMOQIAZRLAR-UHFFFAOYSA-N 2 2 269.389 0.309 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)[C@@H](C[NH3+])C1 ZINC000572227725 390773115 /nfs/dbraw/zinc/77/31/15/390773115.db2.gz UPGKNTLJKOMACB-QWHCGFSZSA-N 3 2 297.447 0.049 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)[C@@H](C[NH3+])C1 ZINC000572227725 390773117 /nfs/dbraw/zinc/77/31/17/390773117.db2.gz UPGKNTLJKOMACB-QWHCGFSZSA-N 3 2 297.447 0.049 20 0 CCADLP [NH3+][C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)nn1)C1CC1 ZINC000572242103 390773995 /nfs/dbraw/zinc/77/39/95/390773995.db2.gz ZZEOMNJNMBKRSG-SNVBAGLBSA-N 2 2 272.312 0.129 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000572290249 390776629 /nfs/dbraw/zinc/77/66/29/390776629.db2.gz LFFXYDZGNODKBU-AAEUAGOBSA-N 2 2 257.378 0.341 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000572290249 390776632 /nfs/dbraw/zinc/77/66/32/390776632.db2.gz LFFXYDZGNODKBU-AAEUAGOBSA-N 2 2 257.378 0.341 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccnn1-c1ccccn1 ZINC000647196285 390786427 /nfs/dbraw/zinc/78/64/27/390786427.db2.gz WCGKFGACWQXFOZ-HNNXBMFYSA-N 2 2 289.383 0.670 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+]C2(C(N)=O)CC2)CC1 ZINC000572571898 390789858 /nfs/dbraw/zinc/78/98/58/390789858.db2.gz AFFFDOMGCNZBOW-UHFFFAOYSA-N 2 2 283.372 0.012 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](CCOC)[C@@H]1CCO[C@@H]1C ZINC000572852182 390807147 /nfs/dbraw/zinc/80/71/47/390807147.db2.gz ASCUBWWBGGDCHL-HZSPNIEDSA-N 2 2 274.405 0.425 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](CCOC)[C@@H]1CCO[C@@H]1C ZINC000572852182 390807149 /nfs/dbraw/zinc/80/71/49/390807149.db2.gz ASCUBWWBGGDCHL-HZSPNIEDSA-N 2 2 274.405 0.425 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](CCOC)[C@@H]1CCO[C@@H]1C ZINC000572852182 390807150 /nfs/dbraw/zinc/80/71/50/390807150.db2.gz ASCUBWWBGGDCHL-HZSPNIEDSA-N 2 2 274.405 0.425 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000572599648 390791063 /nfs/dbraw/zinc/79/10/63/390791063.db2.gz HTHFQNCNTXWLQN-RYUDHWBXSA-N 2 2 286.420 0.522 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000572599648 390791065 /nfs/dbraw/zinc/79/10/65/390791065.db2.gz HTHFQNCNTXWLQN-RYUDHWBXSA-N 2 2 286.420 0.522 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](CCOC)[C@@H]1CCO[C@@H]1C ZINC000572852182 390807153 /nfs/dbraw/zinc/80/71/53/390807153.db2.gz ASCUBWWBGGDCHL-HZSPNIEDSA-N 2 2 274.405 0.425 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](CCOC)[C@H]1CCO[C@@H]1C ZINC000572852185 390807581 /nfs/dbraw/zinc/80/75/81/390807581.db2.gz ASCUBWWBGGDCHL-RDBSUJKOSA-N 2 2 274.405 0.425 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](CCOC)[C@H]1CCO[C@@H]1C ZINC000572852185 390807583 /nfs/dbraw/zinc/80/75/83/390807583.db2.gz ASCUBWWBGGDCHL-RDBSUJKOSA-N 2 2 274.405 0.425 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](CCOC)[C@H]1CCO[C@@H]1C ZINC000572852185 390807586 /nfs/dbraw/zinc/80/75/86/390807586.db2.gz ASCUBWWBGGDCHL-RDBSUJKOSA-N 2 2 274.405 0.425 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](CCOC)[C@H]1CCO[C@@H]1C ZINC000572852185 390807588 /nfs/dbraw/zinc/80/75/88/390807588.db2.gz ASCUBWWBGGDCHL-RDBSUJKOSA-N 2 2 274.405 0.425 20 0 CCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000529301890 390803406 /nfs/dbraw/zinc/80/34/06/390803406.db2.gz JMDWFOXPTJYLCS-KBPBESRZSA-N 2 2 298.431 0.347 20 0 CCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000529301890 390803407 /nfs/dbraw/zinc/80/34/07/390803407.db2.gz JMDWFOXPTJYLCS-KBPBESRZSA-N 2 2 298.431 0.347 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000571491886 390737927 /nfs/dbraw/zinc/73/79/27/390737927.db2.gz CEVJLNJWYGIJGE-ZDUSSCGKSA-N 2 2 262.357 0.827 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCOCC[NH+](C)C ZINC000571535654 390740172 /nfs/dbraw/zinc/74/01/72/390740172.db2.gz SFSNNFVXXGSPIF-NSHDSACASA-N 2 2 268.361 0.283 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCOCC[NH+](C)C ZINC000571535654 390740175 /nfs/dbraw/zinc/74/01/75/390740175.db2.gz SFSNNFVXXGSPIF-NSHDSACASA-N 2 2 268.361 0.283 20 0 CCADLP CC[NH+]1CCN(CCNC(=O)C(C)(C)c2c[nH]c[nH+]2)CC1 ZINC000646966058 390750130 /nfs/dbraw/zinc/75/01/30/390750130.db2.gz CNZPLECYUZATKP-UHFFFAOYSA-N 2 2 293.415 0.441 20 0 CCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCCc1cn(C)c[nH+]1 ZINC000529332408 390810916 /nfs/dbraw/zinc/81/09/16/390810916.db2.gz RTOLULVRDXJOEV-CYBMUJFWSA-N 2 2 279.388 0.602 20 0 CCADLP CC(C)[C@H](C)NC(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000572971429 390814909 /nfs/dbraw/zinc/81/49/09/390814909.db2.gz CRGIQVGLZWDGPQ-LBPRGKRZSA-N 2 2 279.388 0.692 20 0 CCADLP CO[C@H]1CCN(Cc2cc[nH+]c(N)c2)[C@H](C[NH3+])C1 ZINC000573001184 390819247 /nfs/dbraw/zinc/81/92/47/390819247.db2.gz HBSYPGQSSVKKLK-RYUDHWBXSA-N 2 2 250.346 0.432 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529364597 390819416 /nfs/dbraw/zinc/81/94/16/390819416.db2.gz ICCFJMYDRZOLDG-ZDUSSCGKSA-N 2 2 296.415 0.245 20 0 CCADLP O=C(NC[C@@H]1COCC[NH2+]1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000529381671 390825106 /nfs/dbraw/zinc/82/51/06/390825106.db2.gz QXJFWEWZKCGMJT-NWDGAFQWSA-N 2 2 293.371 0.287 20 0 CCADLP C[C@@H](O)[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000647536442 390835934 /nfs/dbraw/zinc/83/59/34/390835934.db2.gz SAWAXOVEYKRNPY-XJKCOSOUSA-N 2 2 278.396 0.765 20 0 CCADLP C[C@@H](O)[C@@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000647536442 390835937 /nfs/dbraw/zinc/83/59/37/390835937.db2.gz SAWAXOVEYKRNPY-XJKCOSOUSA-N 2 2 278.396 0.765 20 0 CCADLP C[N@@H+]1CCN(Cc2cccc3c2OCCO3)[C@@H](C[NH3+])C1 ZINC000647539388 390837185 /nfs/dbraw/zinc/83/71/85/390837185.db2.gz YYMWILGIMQZLFT-ZDUSSCGKSA-N 2 2 277.368 0.533 20 0 CCADLP C[N@H+]1CCN(Cc2cccc3c2OCCO3)[C@@H](C[NH3+])C1 ZINC000647539388 390837188 /nfs/dbraw/zinc/83/71/88/390837188.db2.gz YYMWILGIMQZLFT-ZDUSSCGKSA-N 2 2 277.368 0.533 20 0 CCADLP CCOC[C@@H](O)C[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000578545570 390891242 /nfs/dbraw/zinc/89/12/42/390891242.db2.gz VYZWYVMRUVJPLT-ZFWWWQNUSA-N 2 2 286.416 0.569 20 0 CCADLP CCOC[C@@H](O)C[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000578545570 390891244 /nfs/dbraw/zinc/89/12/44/390891244.db2.gz VYZWYVMRUVJPLT-ZFWWWQNUSA-N 2 2 286.416 0.569 20 0 CCADLP Cc1cc(NC(=O)NCCC[NH+]2CCOCC2)c(C)c[nH+]1 ZINC000534326241 390893093 /nfs/dbraw/zinc/89/30/93/390893093.db2.gz GLWVXYVHIHILQP-UHFFFAOYSA-N 2 2 292.383 0.964 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)C1CCC(CO)CC1 ZINC000578638760 390895994 /nfs/dbraw/zinc/89/59/94/390895994.db2.gz FZIVKDGMAQJJTR-YMAMQOFZSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)C1CCC(CO)CC1 ZINC000578638760 390895996 /nfs/dbraw/zinc/89/59/96/390895996.db2.gz FZIVKDGMAQJJTR-YMAMQOFZSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)C1CCC(CO)CC1 ZINC000578638760 390895997 /nfs/dbraw/zinc/89/59/97/390895997.db2.gz FZIVKDGMAQJJTR-YMAMQOFZSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)C1CCC(CO)CC1 ZINC000578638760 390895999 /nfs/dbraw/zinc/89/59/99/390895999.db2.gz FZIVKDGMAQJJTR-YMAMQOFZSA-N 2 2 288.432 0.408 20 0 CCADLP CC(C)OCC[C@H](O)C[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000578882293 390905940 /nfs/dbraw/zinc/90/59/40/390905940.db2.gz ZNJFLTUFQCFSKE-GJZGRUSLSA-N 2 2 288.432 0.720 20 0 CCADLP Cc1cnccc1C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000528348293 285397022 /nfs/dbraw/zinc/39/70/22/285397022.db2.gz BLBFIXXHIPPCSS-UHFFFAOYSA-N 2 2 276.384 0.596 20 0 CCADLP COC(=O)CC1CC([NH2+]C[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000424316925 533324744 /nfs/dbraw/zinc/32/47/44/533324744.db2.gz QOTKSSMBNMPWSR-WXRRBKDZSA-N 2 2 269.389 0.164 20 0 CCADLP COC(=O)CC1CC([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000424316925 533324748 /nfs/dbraw/zinc/32/47/48/533324748.db2.gz QOTKSSMBNMPWSR-WXRRBKDZSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H](CC[NH3+])NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000417933027 533578241 /nfs/dbraw/zinc/57/82/41/533578241.db2.gz XBAJDQUOFZVVGL-NWDGAFQWSA-N 2 2 277.372 0.697 20 0 CCADLP CSCC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)C(=O)N(C)C ZINC000423133751 533656052 /nfs/dbraw/zinc/65/60/52/533656052.db2.gz WGBWQEUYUORGHF-UTUOFQBUSA-N 2 2 273.446 0.926 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C3CCOCC3)C2=O)CC[N@@H+]1C ZINC000358183924 533657736 /nfs/dbraw/zinc/65/77/36/533657736.db2.gz DYKJANQXFWNWJU-VNHYZAJKSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C3CCOCC3)C2=O)CC[N@H+]1C ZINC000358183924 533657740 /nfs/dbraw/zinc/65/77/40/533657740.db2.gz DYKJANQXFWNWJU-VNHYZAJKSA-N 2 2 295.427 0.839 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)N(C)Cc1[nH+]ccn1C ZINC000341803442 130066927 /nfs/dbraw/zinc/06/69/27/130066927.db2.gz VZHIXMDXOOMDLO-UHFFFAOYSA-N 2 2 276.344 0.767 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000341808258 130070303 /nfs/dbraw/zinc/07/03/03/130070303.db2.gz OUNFQXBGNUMIBY-XQQFMLRXSA-N 2 2 269.389 0.021 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000341808258 130070305 /nfs/dbraw/zinc/07/03/05/130070305.db2.gz OUNFQXBGNUMIBY-XQQFMLRXSA-N 2 2 269.389 0.021 20 0 CCADLP [NH3+]CC(F)(F)CNC(=O)c1ccc2[nH+]ccn2c1 ZINC000190299727 130086927 /nfs/dbraw/zinc/08/69/27/130086927.db2.gz CRFHIURRKBFLRO-UHFFFAOYSA-N 2 2 254.240 0.658 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[NH2+]CC2([NH3+])CCC2)CC1 ZINC000342112360 130270605 /nfs/dbraw/zinc/27/06/05/130270605.db2.gz VUAAQFLKCRZDKV-UHFFFAOYSA-N 3 2 268.405 0.058 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000342163538 130354690 /nfs/dbraw/zinc/35/46/90/130354690.db2.gz WKFNJAPGEYXKKN-OKILXGFUSA-N 2 2 281.400 0.450 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000342163538 130354691 /nfs/dbraw/zinc/35/46/91/130354691.db2.gz WKFNJAPGEYXKKN-OKILXGFUSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000192100399 130370774 /nfs/dbraw/zinc/37/07/74/130370774.db2.gz YYVLMKNUSMOSSB-GHMZBOCLSA-N 2 2 273.340 0.867 20 0 CCADLP [NH3+]CCC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000237862819 131061566 /nfs/dbraw/zinc/06/15/66/131061566.db2.gz QBZHPKKAPFZREA-CQSZACIVSA-N 2 2 277.368 0.352 20 0 CCADLP [NH3+]CCC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000237862819 131061567 /nfs/dbraw/zinc/06/15/67/131061567.db2.gz QBZHPKKAPFZREA-CQSZACIVSA-N 2 2 277.368 0.352 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCN(C2CC2)C1 ZINC000252964140 131140011 /nfs/dbraw/zinc/14/00/11/131140011.db2.gz QUEIWQBWNRNENC-FRRDWIJNSA-N 2 2 253.390 0.580 20 0 CCADLP Cc1ccn2cc(CNC(=O)C[C@@H]3COCC[NH2+]3)[nH+]c2c1 ZINC000262392096 131217654 /nfs/dbraw/zinc/21/76/54/131217654.db2.gz OHWLHCQZEJAUCC-GFCCVEGCSA-N 2 2 288.351 0.637 20 0 CCADLP [NH3+]CCC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000262418170 131219127 /nfs/dbraw/zinc/21/91/27/131219127.db2.gz ZRONOQWSAAXUJV-UHFFFAOYSA-N 2 2 258.325 0.896 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)C[C@@H]3COCC[NH2+]3)cn2c1 ZINC000262416653 131219435 /nfs/dbraw/zinc/21/94/35/131219435.db2.gz RHCNKKWCPPWQSH-GFCCVEGCSA-N 2 2 288.351 0.637 20 0 CCADLP C[NH2+]CCC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000262464704 131223249 /nfs/dbraw/zinc/22/32/49/131223249.db2.gz XOPHOUSQXLTSMF-UHFFFAOYSA-N 2 2 282.413 0.705 20 0 CCADLP C[NH2+]CC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000262623032 131243183 /nfs/dbraw/zinc/24/31/83/131243183.db2.gz FKIAYEGLFGWQFX-UHFFFAOYSA-N 2 2 263.341 0.677 20 0 CCADLP CN(CC1CC[NH+](C)CC1)C(=O)NCc1[nH+]ccn1C ZINC000264069314 131389859 /nfs/dbraw/zinc/38/98/59/131389859.db2.gz MJKOSMODRYUFNH-UHFFFAOYSA-N 2 2 279.388 0.903 20 0 CCADLP CN1C[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1=O ZINC000268873346 132080780 /nfs/dbraw/zinc/08/07/80/132080780.db2.gz UYVGMTALKYTROR-OAHLLOKOSA-N 2 2 288.395 0.866 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cnccn1 ZINC000268920882 132088901 /nfs/dbraw/zinc/08/89/01/132088901.db2.gz OUWFQMKMLUXLSP-DGCLKSJQSA-N 2 2 277.372 0.467 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cnccn1 ZINC000268920882 132088902 /nfs/dbraw/zinc/08/89/02/132088902.db2.gz OUWFQMKMLUXLSP-DGCLKSJQSA-N 2 2 277.372 0.467 20 0 CCADLP [NH3+][C@H]1CC[C@H](C(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000269230397 132137206 /nfs/dbraw/zinc/13/72/06/132137206.db2.gz CNKZFIJUTHYMMG-QWRGUYRKSA-N 2 2 262.357 0.963 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000269239361 132139188 /nfs/dbraw/zinc/13/91/88/132139188.db2.gz ITHUKSOGXVHHJC-QWRGUYRKSA-N 2 2 250.346 0.971 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000269251361 132142770 /nfs/dbraw/zinc/14/27/70/132142770.db2.gz PSDWIFYASKLULX-SNVBAGLBSA-N 2 2 250.346 0.691 20 0 CCADLP Cc1ccn2cc(CNC(=O)C[C@@H]3C[NH2+]CCO3)[nH+]c2c1 ZINC000269260708 132145035 /nfs/dbraw/zinc/14/50/35/132145035.db2.gz VQQLROZISDOQAK-CYBMUJFWSA-N 2 2 288.351 0.637 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000269267400 132146837 /nfs/dbraw/zinc/14/68/37/132146837.db2.gz ZVVLEWHWEPSLOM-RYUDHWBXSA-N 2 2 266.345 0.156 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](CCc2cccnc2)CC1 ZINC000269481238 132177049 /nfs/dbraw/zinc/17/70/49/132177049.db2.gz KLIFBBYLZWNQAO-UHFFFAOYSA-N 2 2 276.384 0.330 20 0 CCADLP c1c[nH]c(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)n1 ZINC000657751880 413057711 /nfs/dbraw/zinc/05/77/11/413057711.db2.gz VEGPPWSCCVDKIS-LBPRGKRZSA-N 2 2 250.346 0.753 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCn3nccc32)CC1 ZINC000657855600 413069316 /nfs/dbraw/zinc/06/93/16/413069316.db2.gz FJXIPJAZVGTTBM-LBPRGKRZSA-N 2 2 277.372 0.082 20 0 CCADLP COCCc1noc(CC2CC[NH+](C[C@H](C)[NH3+])CC2)n1 ZINC000530229877 285577781 /nfs/dbraw/zinc/57/77/81/285577781.db2.gz BAPPGMHWJVCOIW-NSHDSACASA-N 2 2 282.388 0.860 20 0 CCADLP Cc1nc(NC2CC[NH+](C3CC3)CC2)nc(N(C)C)[nH+]1 ZINC000531758353 285743789 /nfs/dbraw/zinc/74/37/89/285743789.db2.gz VGDVRZVVLPVJDC-UHFFFAOYSA-N 2 2 276.388 0.707 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@]1(CO)CCc2ccccc21)C1CC1 ZINC000685568960 545837561 /nfs/dbraw/zinc/83/75/61/545837561.db2.gz WQEJZJAXNIJKFO-RDJZCZTQSA-N 2 2 290.407 0.865 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@]1(CO)CCc2ccccc21)C1CC1 ZINC000685568960 545837568 /nfs/dbraw/zinc/83/75/68/545837568.db2.gz WQEJZJAXNIJKFO-RDJZCZTQSA-N 2 2 290.407 0.865 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)N[C@H](C)C[NH+](C)C(C)C ZINC000356763786 144030962 /nfs/dbraw/zinc/03/09/62/144030962.db2.gz JCWHWAFHEUFLRK-OLZOCXBDSA-N 2 2 271.405 0.552 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)N[C@H](C)C[NH+](C)C(C)C ZINC000356763786 144030964 /nfs/dbraw/zinc/03/09/64/144030964.db2.gz JCWHWAFHEUFLRK-OLZOCXBDSA-N 2 2 271.405 0.552 20 0 CCADLP CC[NH+]1CCOC[C@H]1C(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000356763786 144030966 /nfs/dbraw/zinc/03/09/66/144030966.db2.gz JCWHWAFHEUFLRK-OLZOCXBDSA-N 2 2 271.405 0.552 20 0 CCADLP CC[NH+]1CCOC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000356763786 144030967 /nfs/dbraw/zinc/03/09/67/144030967.db2.gz JCWHWAFHEUFLRK-OLZOCXBDSA-N 2 2 271.405 0.552 20 0 CCADLP NC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357078029 144058107 /nfs/dbraw/zinc/05/81/07/144058107.db2.gz KCIZXCZPLMOEQD-MJBXVCDLSA-N 2 2 259.353 0.754 20 0 CCADLP NC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357078029 144058109 /nfs/dbraw/zinc/05/81/09/144058109.db2.gz KCIZXCZPLMOEQD-MJBXVCDLSA-N 2 2 259.353 0.754 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)[C@@]12C[NH2+]C[C@H]1CCCC2 ZINC000357243446 144073182 /nfs/dbraw/zinc/07/31/82/144073182.db2.gz ONPKWZBNKATALZ-RISCZKNCSA-N 2 2 262.357 0.848 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCNC(=O)c2ccco2)C1 ZINC000358067272 144148134 /nfs/dbraw/zinc/14/81/34/144148134.db2.gz XHIQAQFVOJIQPO-NWDGAFQWSA-N 2 2 265.357 0.939 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCNC(=O)c2ccco2)C1 ZINC000358067272 144148135 /nfs/dbraw/zinc/14/81/35/144148135.db2.gz XHIQAQFVOJIQPO-NWDGAFQWSA-N 2 2 265.357 0.939 20 0 CCADLP C[C@H]1C[N@H+](Cc2ccnn2C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370695539 144313073 /nfs/dbraw/zinc/31/30/73/144313073.db2.gz BHJXDUCVYSFCMI-HOCLYGCPSA-N 2 2 291.443 0.878 20 0 CCADLP C[C@H]1C[N@@H+](Cc2ccnn2C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370695539 144313074 /nfs/dbraw/zinc/31/30/74/144313074.db2.gz BHJXDUCVYSFCMI-HOCLYGCPSA-N 2 2 291.443 0.878 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)NCC1=CC[NH+](C)CC1 ZINC000371470707 144333124 /nfs/dbraw/zinc/33/31/24/144333124.db2.gz NVGVFPMVEDPDHV-CYBMUJFWSA-N 2 2 267.373 0.085 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)NCC1=CC[NH+](C)CC1 ZINC000371470707 144333126 /nfs/dbraw/zinc/33/31/26/144333126.db2.gz NVGVFPMVEDPDHV-CYBMUJFWSA-N 2 2 267.373 0.085 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)NCC1=CC[N@H+](C)CC1 ZINC000371470707 144333127 /nfs/dbraw/zinc/33/31/27/144333127.db2.gz NVGVFPMVEDPDHV-CYBMUJFWSA-N 2 2 267.373 0.085 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000371470707 144333129 /nfs/dbraw/zinc/33/31/29/144333129.db2.gz NVGVFPMVEDPDHV-CYBMUJFWSA-N 2 2 267.373 0.085 20 0 CCADLP Cn1c[nH+]cc1CN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000371922770 144347396 /nfs/dbraw/zinc/34/73/96/144347396.db2.gz HIJXFIITZYWSOV-AWEZNQCLSA-N 2 2 277.416 0.632 20 0 CCADLP Cn1c[nH+]cc1CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000371922770 144347398 /nfs/dbraw/zinc/34/73/98/144347398.db2.gz HIJXFIITZYWSOV-AWEZNQCLSA-N 2 2 277.416 0.632 20 0 CCADLP NS(=O)(=O)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000372555993 144372642 /nfs/dbraw/zinc/37/26/42/144372642.db2.gz VBNKAXGBGXYJOC-UHFFFAOYSA-N 2 2 289.445 0.615 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000372843355 144382950 /nfs/dbraw/zinc/38/29/50/144382950.db2.gz UYLIJADFZFKIFM-CYBMUJFWSA-N 2 2 280.372 0.452 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000372843355 144382951 /nfs/dbraw/zinc/38/29/51/144382951.db2.gz UYLIJADFZFKIFM-CYBMUJFWSA-N 2 2 280.372 0.452 20 0 CCADLP NS(=O)(=O)[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000372904177 144385034 /nfs/dbraw/zinc/38/50/34/144385034.db2.gz RSQDNSXCKMBYMT-ZDUSSCGKSA-N 2 2 289.445 0.615 20 0 CCADLP NS(=O)(=O)[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000372904177 144385035 /nfs/dbraw/zinc/38/50/35/144385035.db2.gz RSQDNSXCKMBYMT-ZDUSSCGKSA-N 2 2 289.445 0.615 20 0 CCADLP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000372990817 144388611 /nfs/dbraw/zinc/38/86/11/144388611.db2.gz COOVDGAYQRCXRT-CQSZACIVSA-N 3 2 282.432 0.177 20 0 CCADLP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000372990817 144388613 /nfs/dbraw/zinc/38/86/13/144388613.db2.gz COOVDGAYQRCXRT-CQSZACIVSA-N 3 2 282.432 0.177 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000544038904 285821697 /nfs/dbraw/zinc/82/16/97/285821697.db2.gz WNKDJICFDZZFBT-GFCCVEGCSA-N 2 2 278.356 0.235 20 0 CCADLP Cc1cc(C)n(CC[N@@H+]2CCO[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000386813927 397503295 /nfs/dbraw/zinc/50/32/95/397503295.db2.gz SHDZTZPHPYZIEI-CHWSQXEVSA-N 2 2 252.362 0.548 20 0 CCADLP Cc1cc(C)n(CC[N@H+]2CCO[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000386813927 397503303 /nfs/dbraw/zinc/50/33/03/397503303.db2.gz SHDZTZPHPYZIEI-CHWSQXEVSA-N 2 2 252.362 0.548 20 0 CCADLP COCc1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)o1 ZINC000394486801 397517279 /nfs/dbraw/zinc/51/72/79/397517279.db2.gz VKCNCHDHZKOEAQ-ZDUSSCGKSA-N 2 2 279.384 0.906 20 0 CCADLP C[C@H](Nc1ccc(N(C)CCO)c[nH+]1)[C@H]1CC[NH2+]C1 ZINC000643478602 397599269 /nfs/dbraw/zinc/59/92/69/397599269.db2.gz LIICLHIYIZFKOY-RYUDHWBXSA-N 2 2 264.373 0.920 20 0 CCADLP CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000649409063 397605733 /nfs/dbraw/zinc/60/57/33/397605733.db2.gz BISXBGGXMHYAMN-LBPRGKRZSA-N 2 2 279.388 0.049 20 0 CCADLP CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000649409063 397605734 /nfs/dbraw/zinc/60/57/34/397605734.db2.gz BISXBGGXMHYAMN-LBPRGKRZSA-N 2 2 279.388 0.049 20 0 CCADLP C[N@H+](CCC[NH3+])CC(=O)NCCN1CCc2ccccc21 ZINC000649410084 397606049 /nfs/dbraw/zinc/60/60/49/397606049.db2.gz NNUWBWWZHCXHAF-UHFFFAOYSA-N 2 2 290.411 0.446 20 0 CCADLP C[N@@H+](CCC[NH3+])CC(=O)NCCN1CCc2ccccc21 ZINC000649410084 397606051 /nfs/dbraw/zinc/60/60/51/397606051.db2.gz NNUWBWWZHCXHAF-UHFFFAOYSA-N 2 2 290.411 0.446 20 0 CCADLP CC[C@H]1C[N@H+](CC(=O)Nc2ccncc2)CC[C@@H]1[NH3+] ZINC000649416970 397609439 /nfs/dbraw/zinc/60/94/39/397609439.db2.gz SNRFNVORWBPJQK-AAEUAGOBSA-N 2 2 262.357 0.501 20 0 CCADLP CC[C@H]1C[N@@H+](CC(=O)Nc2ccncc2)CC[C@@H]1[NH3+] ZINC000649416970 397609443 /nfs/dbraw/zinc/60/94/43/397609443.db2.gz SNRFNVORWBPJQK-AAEUAGOBSA-N 2 2 262.357 0.501 20 0 CCADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000649420002 397610326 /nfs/dbraw/zinc/61/03/26/397610326.db2.gz RHSSFAODGHFXRH-CQSZACIVSA-N 3 2 296.459 0.692 20 0 CCADLP COCC[N@@H+]1CCN(Cc2[nH+]ccn2C)C(C)(C)C1 ZINC000649848994 397674129 /nfs/dbraw/zinc/67/41/29/397674129.db2.gz JNZIWJSCZQPSJK-UHFFFAOYSA-N 2 2 266.389 0.963 20 0 CCADLP COCC[N@H+]1CCN(Cc2[nH+]ccn2C)C(C)(C)C1 ZINC000649848994 397674130 /nfs/dbraw/zinc/67/41/30/397674130.db2.gz JNZIWJSCZQPSJK-UHFFFAOYSA-N 2 2 266.389 0.963 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@H](n2cc(CO)nn2)C1 ZINC000650725161 397749695 /nfs/dbraw/zinc/74/96/95/397749695.db2.gz UTEWGHBYVXDRIB-AAEUAGOBSA-N 2 2 267.377 0.391 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H](n2cc(CO)nn2)C1 ZINC000650725161 397749699 /nfs/dbraw/zinc/74/96/99/397749699.db2.gz UTEWGHBYVXDRIB-AAEUAGOBSA-N 2 2 267.377 0.391 20 0 CCADLP C[NH+]1CCC(CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000548000240 285995891 /nfs/dbraw/zinc/99/58/91/285995891.db2.gz HJBATTRRXNZTMU-ZDUSSCGKSA-N 2 2 291.399 0.839 20 0 CCADLP C[C@@H]1C[N@@H+](CCCNC(=O)C[NH+]2CC(C)(C)C2)C[C@H](C)O1 ZINC000553255403 286186852 /nfs/dbraw/zinc/18/68/52/286186852.db2.gz BOYRZJQPOCDSIO-OKILXGFUSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]1C[N@H+](CCCNC(=O)C[NH+]2CC(C)(C)C2)C[C@H](C)O1 ZINC000553255403 286186854 /nfs/dbraw/zinc/18/68/54/286186854.db2.gz BOYRZJQPOCDSIO-OKILXGFUSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)c1[nH+]ccn1C ZINC000659026146 413261358 /nfs/dbraw/zinc/26/13/58/413261358.db2.gz XZJAFYDRMPXYLK-RNFRBKRXSA-N 2 2 279.266 0.670 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420351663 292359681 /nfs/dbraw/zinc/35/96/81/292359681.db2.gz ADHUPJDCIGRNBD-HIFRSBDPSA-N 2 2 283.416 0.603 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420351663 292359682 /nfs/dbraw/zinc/35/96/82/292359682.db2.gz ADHUPJDCIGRNBD-HIFRSBDPSA-N 2 2 283.416 0.603 20 0 CCADLP O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659359278 413442112 /nfs/dbraw/zinc/44/21/12/413442112.db2.gz YDYWTHKRWRJIHK-OFQRWUPVSA-N 2 2 293.411 0.309 20 0 CCADLP O=C([C@H]1CC[NH2+]C1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000238004793 304445474 /nfs/dbraw/zinc/44/54/74/304445474.db2.gz CSHZTCHUQXISLX-KBPBESRZSA-N 2 2 281.400 0.309 20 0 CCADLP C[C@@H](c1nnnn1C)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000516867592 287163213 /nfs/dbraw/zinc/16/32/13/287163213.db2.gz GABCGMOZUQKQSD-WCQGTBRESA-N 2 2 280.376 0.099 20 0 CCADLP C[C@H](C[NH2+][C@@H](C)Cn1cccn1)C[NH+]1CCOCC1 ZINC000122740303 298778631 /nfs/dbraw/zinc/77/86/31/298778631.db2.gz LTGRTIRACVRVIJ-KGLIPLIRSA-N 2 2 266.389 0.830 20 0 CCADLP C[NH+](C)CCCNC(=O)NCCNc1cccc[nH+]1 ZINC000042923891 411625566 /nfs/dbraw/zinc/62/55/66/411625566.db2.gz CONQAXHHNAPYMO-UHFFFAOYSA-N 2 2 265.361 0.744 20 0 CCADLP O[C@H](C[NH2+]CCCCn1cc[nH+]c1)C[NH+]1CCCC1 ZINC000045107076 411635847 /nfs/dbraw/zinc/63/58/47/411635847.db2.gz AFOIPXBFRNNTTA-CQSZACIVSA-N 3 2 266.389 0.710 20 0 CCADLP Cc1ccccc1NC(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150242 411694699 /nfs/dbraw/zinc/69/46/99/411694699.db2.gz DCSJWQNKKBPNBL-UHFFFAOYSA-N 2 2 290.411 0.771 20 0 CCADLP Cc1ccccc1NC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150242 411694703 /nfs/dbraw/zinc/69/47/03/411694703.db2.gz DCSJWQNKKBPNBL-UHFFFAOYSA-N 2 2 290.411 0.771 20 0 CCADLP C[NH+](C)Cc1ccc(S(=O)(=O)N2CC([NH+](C)C)C2)cc1 ZINC000351567590 411765189 /nfs/dbraw/zinc/76/51/89/411765189.db2.gz KCVLKMIOEVFJEZ-UHFFFAOYSA-N 2 2 297.424 0.683 20 0 CCADLP CC[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)CCOC)[C@@H](CC)CO1 ZINC000403999043 411791368 /nfs/dbraw/zinc/79/13/68/411791368.db2.gz ZQMBJSKHQRUWOI-SOUVJXGZSA-N 2 2 288.432 0.815 20 0 CCADLP CC[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)CCOC)[C@@H](CC)CO1 ZINC000403999043 411791372 /nfs/dbraw/zinc/79/13/72/411791372.db2.gz ZQMBJSKHQRUWOI-SOUVJXGZSA-N 2 2 288.432 0.815 20 0 CCADLP CC[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)CCOC)[C@@H](CC)CO1 ZINC000403999043 411791373 /nfs/dbraw/zinc/79/13/73/411791373.db2.gz ZQMBJSKHQRUWOI-SOUVJXGZSA-N 2 2 288.432 0.815 20 0 CCADLP CC[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)CCOC)[C@@H](CC)CO1 ZINC000403999043 411791376 /nfs/dbraw/zinc/79/13/76/411791376.db2.gz ZQMBJSKHQRUWOI-SOUVJXGZSA-N 2 2 288.432 0.815 20 0 CCADLP CCO[C@@H]1C[N@@H+]([C@H](C)c2cnccn2)C[C@H]1C[NH3+] ZINC000405267344 411799072 /nfs/dbraw/zinc/79/90/72/411799072.db2.gz SJRIKLLQDCORQU-NQBHXWOUSA-N 2 2 250.346 0.833 20 0 CCADLP CCO[C@@H]1C[N@H+]([C@H](C)c2cnccn2)C[C@H]1C[NH3+] ZINC000405267344 411799077 /nfs/dbraw/zinc/79/90/77/411799077.db2.gz SJRIKLLQDCORQU-NQBHXWOUSA-N 2 2 250.346 0.833 20 0 CCADLP CC(C)(CNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)[NH+]1CCOCC1 ZINC000407307303 411805636 /nfs/dbraw/zinc/80/56/36/411805636.db2.gz MIVUIETVFRWXLU-KGLIPLIRSA-N 2 2 295.427 0.744 20 0 CCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NCc1c[nH+]c[nH]1)CC2 ZINC000651364757 411853111 /nfs/dbraw/zinc/85/31/11/411853111.db2.gz KMAREJQQAABMJJ-JTQLQIEISA-N 2 2 259.313 0.793 20 0 CCADLP COC[C@H](CC(C)(C)C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000651690555 411919791 /nfs/dbraw/zinc/91/97/91/411919791.db2.gz KTEDPMNYGBUQGD-ZDUSSCGKSA-N 2 2 285.432 0.801 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CC[C@@]2(O)CCCOC2)n1C ZINC000652041195 411980296 /nfs/dbraw/zinc/98/02/96/411980296.db2.gz VXDKPMJZNAHXTJ-AWEZNQCLSA-N 2 2 282.388 0.507 20 0 CCADLP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NCCn1cc[nH+]c1)C2 ZINC000652120154 411990185 /nfs/dbraw/zinc/99/01/85/411990185.db2.gz ZJIWTJMOMULUKM-JSGCOSHPSA-N 2 2 277.372 0.654 20 0 CCADLP [NH3+]CC1(CCNC(=O)NCCn2cc[nH+]c2)CC1 ZINC000652119890 411990285 /nfs/dbraw/zinc/99/02/85/411990285.db2.gz GBRJPWSWHOGVEL-UHFFFAOYSA-N 2 2 251.334 0.311 20 0 CCADLP [NH3+]CC1(CCNC(=O)N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000652180113 411997362 /nfs/dbraw/zinc/99/73/62/411997362.db2.gz JKAIZIXCSYTQJH-NSHDSACASA-N 2 2 277.372 0.626 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCN(c2nc(C)cs2)[C@H](C)C1 ZINC000652338904 412031735 /nfs/dbraw/zinc/03/17/35/412031735.db2.gz LRENQTBFRMEJRQ-OCCSQVGLSA-N 2 2 298.456 0.932 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCN(c2nc(C)cs2)[C@H](C)C1 ZINC000652338904 412031737 /nfs/dbraw/zinc/03/17/37/412031737.db2.gz LRENQTBFRMEJRQ-OCCSQVGLSA-N 2 2 298.456 0.932 20 0 CCADLP COCC[NH2+]C1CC[NH+](CCOCCOC)CC1 ZINC000652344416 412033983 /nfs/dbraw/zinc/03/39/83/412033983.db2.gz BWKRCSSXGPWRCC-UHFFFAOYSA-N 2 2 260.378 0.350 20 0 CCADLP CNC(=O)Cc1noc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])n1 ZINC000652354942 412035452 /nfs/dbraw/zinc/03/54/52/412035452.db2.gz LBOUHYQPMPGLTF-GHMZBOCLSA-N 2 2 295.387 0.307 20 0 CCADLP CNC(=O)Cc1noc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])n1 ZINC000652354942 412035454 /nfs/dbraw/zinc/03/54/54/412035454.db2.gz LBOUHYQPMPGLTF-GHMZBOCLSA-N 2 2 295.387 0.307 20 0 CCADLP CC(C)(NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)c1[nH]cc[nH+]1 ZINC000652412267 412048976 /nfs/dbraw/zinc/04/89/76/412048976.db2.gz ZCELNJNOGXBOMN-NSHDSACASA-N 2 2 277.372 0.151 20 0 CCADLP CC(C)(NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)c1[nH]cc[nH+]1 ZINC000652412267 412048978 /nfs/dbraw/zinc/04/89/78/412048978.db2.gz ZCELNJNOGXBOMN-NSHDSACASA-N 2 2 277.372 0.151 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000653091544 412214548 /nfs/dbraw/zinc/21/45/48/412214548.db2.gz ZGICSYRDFWMXDI-GFCCVEGCSA-N 2 2 290.367 0.789 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@H]1OCCc2ccccc21 ZINC000653090542 412214684 /nfs/dbraw/zinc/21/46/84/412214684.db2.gz RYXADQSTVRVNHI-HUUCEWRRSA-N 2 2 291.395 0.696 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2C2CCCC2)[C@@H](C[NH3+])C1 ZINC000653055212 412203984 /nfs/dbraw/zinc/20/39/84/412203984.db2.gz XAQPSPAZHBPDDN-MELADBBJSA-N 2 2 265.401 0.914 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2C2CCCC2)[C@@H](C[NH3+])C1 ZINC000653055212 412203987 /nfs/dbraw/zinc/20/39/87/412203987.db2.gz XAQPSPAZHBPDDN-MELADBBJSA-N 2 2 265.401 0.914 20 0 CCADLP CN(CCOc1ccc(F)cc1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653062379 412205141 /nfs/dbraw/zinc/20/51/41/412205141.db2.gz YVVALVADPFEURV-AWEZNQCLSA-N 2 2 297.374 0.942 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCc1ccc(F)cc1F ZINC000653077358 412210454 /nfs/dbraw/zinc/21/04/54/412210454.db2.gz ZEZPQOKBNFLZPJ-CYBMUJFWSA-N 2 2 285.338 0.903 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000653084057 412212661 /nfs/dbraw/zinc/21/26/61/412212661.db2.gz SWAZDGCMGYGSSY-NSHDSACASA-N 2 2 289.343 0.084 20 0 CCADLP COc1ccccc1CCN(C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653087236 412213331 /nfs/dbraw/zinc/21/33/31/412213331.db2.gz POMPMSBKTXVVEB-CQSZACIVSA-N 2 2 293.411 0.975 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC2(CC2(F)F)CC1 ZINC000653201706 412257248 /nfs/dbraw/zinc/25/72/48/412257248.db2.gz UTUJLYCGYCHLHB-JTQLQIEISA-N 2 2 275.343 0.913 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000653299323 412285238 /nfs/dbraw/zinc/28/52/38/412285238.db2.gz OTMGJLCSZZXYPZ-OJLVUWQFSA-N 3 2 277.412 0.729 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000653299323 412285241 /nfs/dbraw/zinc/28/52/41/412285241.db2.gz OTMGJLCSZZXYPZ-OJLVUWQFSA-N 3 2 277.412 0.729 20 0 CCADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC1(CS(C)(=O)=O)CC1 ZINC000653299458 412285385 /nfs/dbraw/zinc/28/53/85/412285385.db2.gz UZSABTURYRUWIG-WDEREUQCSA-N 2 2 260.403 0.623 20 0 CCADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC1(CS(C)(=O)=O)CC1 ZINC000653299458 412285387 /nfs/dbraw/zinc/28/53/87/412285387.db2.gz UZSABTURYRUWIG-WDEREUQCSA-N 2 2 260.403 0.623 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000653093448 412216201 /nfs/dbraw/zinc/21/62/01/412216201.db2.gz CVOLVFZMGLOWIB-YFKTTZPYSA-N 2 2 269.389 0.195 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@]1(C)CCCS1 ZINC000653098673 412216746 /nfs/dbraw/zinc/21/67/46/412216746.db2.gz UWTYBEBGHAKPJH-JQWIXIFHSA-N 2 2 259.419 0.667 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000653104437 412219613 /nfs/dbraw/zinc/21/96/13/412219613.db2.gz HPSGZVKDXGHRGE-CBBWQLFWSA-N 2 2 273.380 0.720 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000653105348 412220649 /nfs/dbraw/zinc/22/06/49/412220649.db2.gz QYAFXJCKRBLANL-RYUDHWBXSA-N 3 2 298.456 0.746 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000653109501 412221890 /nfs/dbraw/zinc/22/18/90/412221890.db2.gz CUYHUUZCWXYDNQ-LSDHHAIUSA-N 3 2 298.475 0.892 20 0 CCADLP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653109519 412222020 /nfs/dbraw/zinc/22/20/20/412222020.db2.gz DJVAIAVQYZMKMW-QWHCGFSZSA-N 3 2 270.421 0.256 20 0 CCADLP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653109519 412222023 /nfs/dbraw/zinc/22/20/23/412222023.db2.gz DJVAIAVQYZMKMW-QWHCGFSZSA-N 3 2 270.421 0.256 20 0 CCADLP O=C([C@H]1CCC[NH2+]CC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000653111985 412224292 /nfs/dbraw/zinc/22/42/92/412224292.db2.gz IFWPYEZEYQQHGO-GJZGRUSLSA-N 2 2 295.427 0.699 20 0 CCADLP COc1ccncc1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653114216 412225279 /nfs/dbraw/zinc/22/52/79/412225279.db2.gz AKEYUFDWEHMZMQ-SECBINFHSA-N 2 2 252.318 0.308 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCCNc1ccccc1 ZINC000653113978 412225736 /nfs/dbraw/zinc/22/57/36/412225736.db2.gz UDCWPNIHBUKQJP-CQSZACIVSA-N 2 2 278.400 0.884 20 0 CCADLP CCc1nc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)cs1 ZINC000653118366 412228219 /nfs/dbraw/zinc/22/82/19/412228219.db2.gz JRIAWFFRPJMLCB-SNVBAGLBSA-N 2 2 270.402 0.601 20 0 CCADLP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653116733 412228345 /nfs/dbraw/zinc/22/83/45/412228345.db2.gz QKDYVOWXWYJSKS-HZSPNIEDSA-N 3 2 284.448 0.645 20 0 CCADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653116733 412228347 /nfs/dbraw/zinc/22/83/47/412228347.db2.gz QKDYVOWXWYJSKS-HZSPNIEDSA-N 3 2 284.448 0.645 20 0 CCADLP Cc1nc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)sc1C ZINC000653121043 412229316 /nfs/dbraw/zinc/22/93/16/412229316.db2.gz LXUAKVJRXMMJHR-SNVBAGLBSA-N 2 2 270.402 0.655 20 0 CCADLP CN1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)c2cccnc21 ZINC000653120124 412229794 /nfs/dbraw/zinc/22/97/94/412229794.db2.gz GPEUFJRERYFDOW-LLVKDONJSA-N 2 2 277.372 0.143 20 0 CCADLP C[C@H](C[NH3+])CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653126077 412234094 /nfs/dbraw/zinc/23/40/94/412234094.db2.gz JWLXODINOSQKKT-SNVBAGLBSA-N 2 2 250.346 0.473 20 0 CCADLP Cc1cccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1O ZINC000653129626 412235152 /nfs/dbraw/zinc/23/51/52/412235152.db2.gz CXGAAYQIGNISNY-JTQLQIEISA-N 2 2 251.330 0.918 20 0 CCADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653135582 412237054 /nfs/dbraw/zinc/23/70/54/412237054.db2.gz JDSIACKLUPMDNK-NWDGAFQWSA-N 2 2 276.384 0.971 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653136477 412237238 /nfs/dbraw/zinc/23/72/38/412237238.db2.gz QWQDYVDCYLGGST-LLVKDONJSA-N 2 2 264.373 0.876 20 0 CCADLP [NH3+]CC[C@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)C(F)F ZINC000653144868 412240318 /nfs/dbraw/zinc/24/03/18/412240318.db2.gz JWWUDVVZIDHJOB-JTQLQIEISA-N 2 2 286.326 0.861 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000653143186 412240926 /nfs/dbraw/zinc/24/09/26/412240926.db2.gz HRFQUAHONKGFCH-GXTWGEPZSA-N 2 2 288.395 0.972 20 0 CCADLP CCc1[nH]n(C)c2nnc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1-2 ZINC000653151843 412242821 /nfs/dbraw/zinc/24/28/21/412242821.db2.gz VPRVGXVRTNHZBP-QMMMGPOBSA-N 2 2 293.375 0.076 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCc2c1cccc2F ZINC000653150665 412244158 /nfs/dbraw/zinc/24/41/58/412244158.db2.gz JSMVTPBMTRPGSG-GFCCVEGCSA-N 2 2 265.332 0.994 20 0 CCADLP COCCC(C)(C)CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653152982 412244896 /nfs/dbraw/zinc/24/48/96/412244896.db2.gz DRADNQSPAQULAI-LLVKDONJSA-N 2 2 259.394 0.444 20 0 CCADLP CC(C)[N@H+]1CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653168298 412250735 /nfs/dbraw/zinc/25/07/35/412250735.db2.gz XJKIATIEBXQWCH-ZDUSSCGKSA-N 3 2 270.421 0.208 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000653168956 412250742 /nfs/dbraw/zinc/25/07/42/412250742.db2.gz WIEKGQJZGFFXFT-ILXRZTDVSA-N 2 2 297.443 0.931 20 0 CCADLP CNS(=O)(=O)CCC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000653591629 412322737 /nfs/dbraw/zinc/32/27/37/412322737.db2.gz RKRWOFWUBLNUOF-NSHDSACASA-N 2 2 286.401 0.149 20 0 CCADLP CNS(=O)(=O)CCC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000653591629 412322742 /nfs/dbraw/zinc/32/27/42/412322742.db2.gz RKRWOFWUBLNUOF-NSHDSACASA-N 2 2 286.401 0.149 20 0 CCADLP CC[N@H+](C)C[C@H](O)CN1CCn2cc(C)[nH+]c2C1 ZINC000653612506 412323901 /nfs/dbraw/zinc/32/39/01/412323901.db2.gz SIUIZZMQPRTNQF-LBPRGKRZSA-N 2 2 252.362 0.320 20 0 CCADLP CC[N@@H+](C)C[C@H](O)CN1CCn2cc(C)[nH+]c2C1 ZINC000653612506 412323904 /nfs/dbraw/zinc/32/39/04/412323904.db2.gz SIUIZZMQPRTNQF-LBPRGKRZSA-N 2 2 252.362 0.320 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)CC[C@H]1CCCO1 ZINC000653635773 412328397 /nfs/dbraw/zinc/32/83/97/412328397.db2.gz CIKKFHOPNFVOEQ-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)CC[C@H]1CCCO1 ZINC000653635773 412328402 /nfs/dbraw/zinc/32/84/02/412328402.db2.gz CIKKFHOPNFVOEQ-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)CC[C@H]1CCCO1 ZINC000653635773 412328406 /nfs/dbraw/zinc/32/84/06/412328406.db2.gz CIKKFHOPNFVOEQ-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)CC[C@H]1CCCO1 ZINC000653635773 412328411 /nfs/dbraw/zinc/32/84/11/412328411.db2.gz CIKKFHOPNFVOEQ-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP CC(C)N(C)C(=O)[C@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000653646079 412330157 /nfs/dbraw/zinc/33/01/57/412330157.db2.gz QYJARRSJMAKABF-LBPRGKRZSA-N 2 2 279.388 0.787 20 0 CCADLP C[C@H](O)CC[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000653689595 412335854 /nfs/dbraw/zinc/33/58/54/412335854.db2.gz BSNZGHFRJJEHFZ-OLZOCXBDSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@H](O)CC[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000653689595 412335856 /nfs/dbraw/zinc/33/58/56/412335856.db2.gz BSNZGHFRJJEHFZ-OLZOCXBDSA-N 2 2 256.390 0.942 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](CCn2ccccc2=O)CC1 ZINC000653727715 412338328 /nfs/dbraw/zinc/33/83/28/412338328.db2.gz VBCIMZXBJOAHPS-UHFFFAOYSA-N 2 2 293.411 0.673 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC12CCCC2 ZINC000653777280 412345030 /nfs/dbraw/zinc/34/50/30/412345030.db2.gz ZAUDHTHJAWJLMG-ZDUSSCGKSA-N 2 2 256.390 0.944 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC12CCCC2 ZINC000653777280 412345031 /nfs/dbraw/zinc/34/50/31/412345031.db2.gz ZAUDHTHJAWJLMG-ZDUSSCGKSA-N 2 2 256.390 0.944 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC12CCCC2 ZINC000653777280 412345033 /nfs/dbraw/zinc/34/50/33/412345033.db2.gz ZAUDHTHJAWJLMG-ZDUSSCGKSA-N 2 2 256.390 0.944 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC12CCCC2 ZINC000653777280 412345036 /nfs/dbraw/zinc/34/50/36/412345036.db2.gz ZAUDHTHJAWJLMG-ZDUSSCGKSA-N 2 2 256.390 0.944 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC([C@H](C)CO)CC1 ZINC000653779173 412346491 /nfs/dbraw/zinc/34/64/91/412346491.db2.gz ORIBNMOWROODEV-OCCSQVGLSA-N 2 2 258.406 0.639 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC([C@H](C)CO)CC1 ZINC000653779173 412346493 /nfs/dbraw/zinc/34/64/93/412346493.db2.gz ORIBNMOWROODEV-OCCSQVGLSA-N 2 2 258.406 0.639 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@]2(CC2(F)F)C1 ZINC000653780137 412346608 /nfs/dbraw/zinc/34/66/08/412346608.db2.gz XZIYNMRZWCOQDT-RYUDHWBXSA-N 2 2 278.343 0.657 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@]2(CC2(F)F)C1 ZINC000653780137 412346610 /nfs/dbraw/zinc/34/66/10/412346610.db2.gz XZIYNMRZWCOQDT-RYUDHWBXSA-N 2 2 278.343 0.657 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000653780137 412346612 /nfs/dbraw/zinc/34/66/12/412346612.db2.gz XZIYNMRZWCOQDT-RYUDHWBXSA-N 2 2 278.343 0.657 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000653780137 412346613 /nfs/dbraw/zinc/34/66/13/412346613.db2.gz XZIYNMRZWCOQDT-RYUDHWBXSA-N 2 2 278.343 0.657 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)[nH]ccc2=O ZINC000653348033 412292222 /nfs/dbraw/zinc/29/22/22/412292222.db2.gz ZDSHJMJKSJQBIC-LBPRGKRZSA-N 2 2 288.351 0.746 20 0 CCADLP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000659437253 413496234 /nfs/dbraw/zinc/49/62/34/413496234.db2.gz GFDKSWCPNVDWBJ-NWDGAFQWSA-N 2 2 267.377 0.944 20 0 CCADLP CN(CCC[NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659456042 413514022 /nfs/dbraw/zinc/51/40/22/413514022.db2.gz HIBMSJAAORMORC-CYBMUJFWSA-N 3 2 297.447 0.145 20 0 CCADLP CN(CCC[NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659456042 413514029 /nfs/dbraw/zinc/51/40/29/413514029.db2.gz HIBMSJAAORMORC-CYBMUJFWSA-N 3 2 297.447 0.145 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000659484237 413539483 /nfs/dbraw/zinc/53/94/83/413539483.db2.gz QQKKBVBCWLYEIQ-ZJUUUORDSA-N 2 2 251.334 0.105 20 0 CCADLP [NH3+]CC12CC(C1)CN2C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000659494002 413546047 /nfs/dbraw/zinc/54/60/47/413546047.db2.gz KYHREBXUHSPLAT-XIRUVYRFSA-N 2 2 275.356 0.400 20 0 CCADLP [NH3+]CC12CC(C1)CN2C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000659494002 413546056 /nfs/dbraw/zinc/54/60/56/413546056.db2.gz KYHREBXUHSPLAT-XIRUVYRFSA-N 2 2 275.356 0.400 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)NCC23CC(C2)C[NH2+]3)c2[nH+]ccn21 ZINC000659502338 413555801 /nfs/dbraw/zinc/55/58/01/413555801.db2.gz WKGQVMVTXMQDDS-MMIJRFEOSA-N 2 2 275.356 0.940 20 0 CCADLP O=C(NC[C@H]1CCC[NH2+]C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659509818 413569805 /nfs/dbraw/zinc/56/98/05/413569805.db2.gz ISSNRNQOGARWPZ-KBPBESRZSA-N 2 2 296.415 0.102 20 0 CCADLP C[C@@H](NC(=O)N[C@H](C[NH3+])C1CC1)c1[nH+]ccn1C ZINC000659517636 413583598 /nfs/dbraw/zinc/58/35/98/413583598.db2.gz ABODIKYMJHTCDA-PSASIEDQSA-N 2 2 251.334 0.518 20 0 CCADLP [NH3+]C/C=C\CNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000659543052 413631638 /nfs/dbraw/zinc/63/16/38/413631638.db2.gz FDJPWIRLZIHALE-UPHRSURJSA-N 2 2 296.415 0.255 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000659552621 413643439 /nfs/dbraw/zinc/64/34/39/413643439.db2.gz ZOTIVLNBBOOSGC-CQSZACIVSA-N 2 2 298.431 0.478 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCC1([NH3+])CCCC1 ZINC000659574696 413671458 /nfs/dbraw/zinc/67/14/58/413671458.db2.gz PGZVFJYPPXZCBO-ZDUSSCGKSA-N 2 2 298.431 0.620 20 0 CCADLP C[C@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)c1[nH+]ccn1C ZINC000659536520 413621969 /nfs/dbraw/zinc/62/19/69/413621969.db2.gz NPFSTBWIKRPQLN-GARJFASQSA-N 2 2 265.361 0.778 20 0 CCADLP C[C@H](NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C)c1[nH+]ccn1C ZINC000659536518 413622898 /nfs/dbraw/zinc/62/28/98/413622898.db2.gz NPFSTBWIKRPQLN-DCAQKATOSA-N 2 2 265.361 0.778 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CCN2C(=O)CN(C)C2=O)C1 ZINC000659982385 414017640 /nfs/dbraw/zinc/01/76/40/414017640.db2.gz LNQYLUQEQLRAIZ-ZDUSSCGKSA-N 2 2 296.415 0.544 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCN2C(=O)CN(C)C2=O)C1 ZINC000659982385 414017648 /nfs/dbraw/zinc/01/76/48/414017648.db2.gz LNQYLUQEQLRAIZ-ZDUSSCGKSA-N 2 2 296.415 0.544 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000659982385 414017654 /nfs/dbraw/zinc/01/76/54/414017654.db2.gz LNQYLUQEQLRAIZ-ZDUSSCGKSA-N 2 2 296.415 0.544 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000659982385 414017661 /nfs/dbraw/zinc/01/76/61/414017661.db2.gz LNQYLUQEQLRAIZ-ZDUSSCGKSA-N 2 2 296.415 0.544 20 0 CCADLP Cn1c[nH+]c(CN2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000660013136 414056312 /nfs/dbraw/zinc/05/63/12/414056312.db2.gz OOBITOIRBHHCAA-CQSZACIVSA-N 2 2 291.399 0.159 20 0 CCADLP Cn1c[nH+]c(CN2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000660013135 414056435 /nfs/dbraw/zinc/05/64/35/414056435.db2.gz OOBITOIRBHHCAA-AWEZNQCLSA-N 2 2 291.399 0.159 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCSC[C@@H]1CCO ZINC000660004430 414043757 /nfs/dbraw/zinc/04/37/57/414043757.db2.gz WLKKINXMVPBMPB-QWHCGFSZSA-N 2 2 276.446 0.487 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCSC[C@@H]1CCO ZINC000660004430 414043763 /nfs/dbraw/zinc/04/37/63/414043763.db2.gz WLKKINXMVPBMPB-QWHCGFSZSA-N 2 2 276.446 0.487 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCSC[C@@H]1CCO ZINC000660004430 414043770 /nfs/dbraw/zinc/04/37/70/414043770.db2.gz WLKKINXMVPBMPB-QWHCGFSZSA-N 2 2 276.446 0.487 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCSC[C@@H]1CCO ZINC000660004430 414043778 /nfs/dbraw/zinc/04/37/78/414043778.db2.gz WLKKINXMVPBMPB-QWHCGFSZSA-N 2 2 276.446 0.487 20 0 CCADLP C[C@H](C(N)=O)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285656589 196357685 /nfs/dbraw/zinc/35/76/85/196357685.db2.gz MPDKLJRIWQNQRK-LLVKDONJSA-N 2 2 253.346 0.907 20 0 CCADLP C[C@H](C(N)=O)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285656589 196357686 /nfs/dbraw/zinc/35/76/86/196357686.db2.gz MPDKLJRIWQNQRK-LLVKDONJSA-N 2 2 253.346 0.907 20 0 CCADLP C[C@H](C(N)=O)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285656589 196357688 /nfs/dbraw/zinc/35/76/88/196357688.db2.gz MPDKLJRIWQNQRK-LLVKDONJSA-N 2 2 253.346 0.907 20 0 CCADLP C[C@H](C(N)=O)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285656589 196357690 /nfs/dbraw/zinc/35/76/90/196357690.db2.gz MPDKLJRIWQNQRK-LLVKDONJSA-N 2 2 253.346 0.907 20 0 CCADLP C[NH2+][C@H](C(=O)NCc1ccn2cc[nH+]c2c1)c1cnn(C)c1 ZINC000285789694 196398586 /nfs/dbraw/zinc/39/85/86/196398586.db2.gz OMUDYDVWLKMQIR-AWEZNQCLSA-N 2 2 298.350 0.645 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[NH+]([C@@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000660125347 414132727 /nfs/dbraw/zinc/13/27/27/414132727.db2.gz HACZYSKLISTRFS-OWCLPIDISA-N 2 2 297.443 0.502 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[NH+]([C@@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000660125347 414132738 /nfs/dbraw/zinc/13/27/38/414132738.db2.gz HACZYSKLISTRFS-OWCLPIDISA-N 2 2 297.443 0.502 20 0 CCADLP CCN1OC[C@H](N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1=O ZINC000660139018 414144348 /nfs/dbraw/zinc/14/43/48/414144348.db2.gz FXCZJDVKUBETQX-AWEZNQCLSA-N 2 2 298.431 0.107 20 0 CCADLP CCN1OC[C@H](N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1=O ZINC000660139018 414144353 /nfs/dbraw/zinc/14/43/53/414144353.db2.gz FXCZJDVKUBETQX-AWEZNQCLSA-N 2 2 298.431 0.107 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000660463796 414340650 /nfs/dbraw/zinc/34/06/50/414340650.db2.gz IUDAEMJDCKUJFJ-NWDGAFQWSA-N 2 2 298.387 0.656 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000660463796 414340653 /nfs/dbraw/zinc/34/06/53/414340653.db2.gz IUDAEMJDCKUJFJ-NWDGAFQWSA-N 2 2 298.387 0.656 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000660463796 414340657 /nfs/dbraw/zinc/34/06/57/414340657.db2.gz IUDAEMJDCKUJFJ-NWDGAFQWSA-N 2 2 298.387 0.656 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000660463796 414340661 /nfs/dbraw/zinc/34/06/61/414340661.db2.gz IUDAEMJDCKUJFJ-NWDGAFQWSA-N 2 2 298.387 0.656 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000660463796 414340665 /nfs/dbraw/zinc/34/06/65/414340665.db2.gz IUDAEMJDCKUJFJ-NWDGAFQWSA-N 2 2 298.387 0.656 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000660463796 414340669 /nfs/dbraw/zinc/34/06/69/414340669.db2.gz IUDAEMJDCKUJFJ-NWDGAFQWSA-N 2 2 298.387 0.656 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000660463796 414340675 /nfs/dbraw/zinc/34/06/75/414340675.db2.gz IUDAEMJDCKUJFJ-NWDGAFQWSA-N 2 2 298.387 0.656 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000660463796 414340679 /nfs/dbraw/zinc/34/06/79/414340679.db2.gz IUDAEMJDCKUJFJ-NWDGAFQWSA-N 2 2 298.387 0.656 20 0 CCADLP CCNC(=O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660466989 414343061 /nfs/dbraw/zinc/34/30/61/414343061.db2.gz DACCLIPUKWVPNF-ZDUSSCGKSA-N 2 2 269.389 0.309 20 0 CCADLP CCNC(=O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660466989 414343065 /nfs/dbraw/zinc/34/30/65/414343065.db2.gz DACCLIPUKWVPNF-ZDUSSCGKSA-N 2 2 269.389 0.309 20 0 CCADLP COC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660473941 414343346 /nfs/dbraw/zinc/34/33/46/414343346.db2.gz WMJSSVFDXNTOOH-KGLIPLIRSA-N 2 2 272.389 0.180 20 0 CCADLP COC[C@@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660473941 414343350 /nfs/dbraw/zinc/34/33/50/414343350.db2.gz WMJSSVFDXNTOOH-KGLIPLIRSA-N 2 2 272.389 0.180 20 0 CCADLP CC[C@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660472272 414343774 /nfs/dbraw/zinc/34/37/74/414343774.db2.gz IPWAFIZQVRMLIF-KGLIPLIRSA-N 2 2 256.390 0.944 20 0 CCADLP CC[C@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660472272 414343781 /nfs/dbraw/zinc/34/37/81/414343781.db2.gz IPWAFIZQVRMLIF-KGLIPLIRSA-N 2 2 256.390 0.944 20 0 CCADLP C[C@H](O)CC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660478374 414348884 /nfs/dbraw/zinc/34/88/84/414348884.db2.gz LZHJMLGGQBHMIC-UONOGXRCSA-N 2 2 256.390 0.944 20 0 CCADLP C[C@H](O)CC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660478374 414348893 /nfs/dbraw/zinc/34/88/93/414348893.db2.gz LZHJMLGGQBHMIC-UONOGXRCSA-N 2 2 256.390 0.944 20 0 CCADLP C[C@@H](CO)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660477796 414351105 /nfs/dbraw/zinc/35/11/05/414351105.db2.gz JEGMUNIVWYGRIT-ZIAGYGMSSA-N 2 2 256.390 0.802 20 0 CCADLP C[C@@H](CO)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660477796 414351112 /nfs/dbraw/zinc/35/11/12/414351112.db2.gz JEGMUNIVWYGRIT-ZIAGYGMSSA-N 2 2 256.390 0.802 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000660453874 414334506 /nfs/dbraw/zinc/33/45/06/414334506.db2.gz SDOGUUOCFKOIPF-QLFBSQMISA-N 2 2 286.416 0.567 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000660453874 414334509 /nfs/dbraw/zinc/33/45/09/414334509.db2.gz SDOGUUOCFKOIPF-QLFBSQMISA-N 2 2 286.416 0.567 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000660453874 414334515 /nfs/dbraw/zinc/33/45/15/414334515.db2.gz SDOGUUOCFKOIPF-QLFBSQMISA-N 2 2 286.416 0.567 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000660453874 414334522 /nfs/dbraw/zinc/33/45/22/414334522.db2.gz SDOGUUOCFKOIPF-QLFBSQMISA-N 2 2 286.416 0.567 20 0 CCADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)NC[C@H]1CCCO1)C2 ZINC000660651878 414429023 /nfs/dbraw/zinc/42/90/23/414429023.db2.gz DNSAGTIDYFXVLW-ZBFHGGJFSA-N 2 2 295.427 0.699 20 0 CCADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)NC[C@H]1CCCO1)C2 ZINC000660651878 414429029 /nfs/dbraw/zinc/42/90/29/414429029.db2.gz DNSAGTIDYFXVLW-ZBFHGGJFSA-N 2 2 295.427 0.699 20 0 CCADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC(=O)NC[C@H]1CCCO1)C2 ZINC000660651878 414429034 /nfs/dbraw/zinc/42/90/34/414429034.db2.gz DNSAGTIDYFXVLW-ZBFHGGJFSA-N 2 2 295.427 0.699 20 0 CCADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC(=O)NC[C@H]1CCCO1)C2 ZINC000660651878 414429040 /nfs/dbraw/zinc/42/90/40/414429040.db2.gz DNSAGTIDYFXVLW-ZBFHGGJFSA-N 2 2 295.427 0.699 20 0 CCADLP C[C@@H]1NC(=O)N(CC[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000660665099 414432520 /nfs/dbraw/zinc/43/25/20/414432520.db2.gz UDUBBWBIODAHAM-WFASDCNBSA-N 2 2 294.399 0.344 20 0 CCADLP C[C@@H]1NC(=O)N(CC[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000660665099 414432523 /nfs/dbraw/zinc/43/25/23/414432523.db2.gz UDUBBWBIODAHAM-WFASDCNBSA-N 2 2 294.399 0.344 20 0 CCADLP C[C@@H]1NC(=O)N(CC[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)C1=O ZINC000660665099 414432527 /nfs/dbraw/zinc/43/25/27/414432527.db2.gz UDUBBWBIODAHAM-WFASDCNBSA-N 2 2 294.399 0.344 20 0 CCADLP C[C@@H]1NC(=O)N(CC[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000660665099 414432533 /nfs/dbraw/zinc/43/25/33/414432533.db2.gz UDUBBWBIODAHAM-WFASDCNBSA-N 2 2 294.399 0.344 20 0 CCADLP CC(C)C[NH2+]C1(CO)CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000660694657 414445562 /nfs/dbraw/zinc/44/55/62/414445562.db2.gz FCGLSSAGPZJZBS-CYBMUJFWSA-N 2 2 283.416 0.338 20 0 CCADLP CC(C)C[NH2+]C1(CO)CC[NH+](CCc2cn[nH]n2)CC1 ZINC000660699712 414448347 /nfs/dbraw/zinc/44/83/47/414448347.db2.gz YGPSJGSJDZRPBA-UHFFFAOYSA-N 2 2 281.404 0.420 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000660740667 414469559 /nfs/dbraw/zinc/46/95/59/414469559.db2.gz SOVIYZPLEJSGIW-GFCCVEGCSA-N 2 2 297.403 0.749 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000660740667 414469562 /nfs/dbraw/zinc/46/95/62/414469562.db2.gz SOVIYZPLEJSGIW-GFCCVEGCSA-N 2 2 297.403 0.749 20 0 CCADLP C[N@H+](C[C@H](O)CN1CCn2c[nH+]cc2C1)C1CC1 ZINC000660583080 414399591 /nfs/dbraw/zinc/39/95/91/414399591.db2.gz GEFAVZXGITWMSY-ZDUSSCGKSA-N 2 2 250.346 0.154 20 0 CCADLP C[N@@H+](C[C@H](O)CN1CCn2c[nH+]cc2C1)C1CC1 ZINC000660583080 414399597 /nfs/dbraw/zinc/39/95/97/414399597.db2.gz GEFAVZXGITWMSY-ZDUSSCGKSA-N 2 2 250.346 0.154 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](CCO)C[C@@H]2C)C[C@H](C)O1 ZINC000660759368 414474984 /nfs/dbraw/zinc/47/49/84/414474984.db2.gz GISCNVVHCXRCGC-SOUVJXGZSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[NH+](CCO)C[C@@H]2C)C[C@H](C)O1 ZINC000660759368 414474988 /nfs/dbraw/zinc/47/49/88/414474988.db2.gz GISCNVVHCXRCGC-SOUVJXGZSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[N@H+](CCO)C[C@@H]2C)C[C@H](C)O1 ZINC000660759368 414474993 /nfs/dbraw/zinc/47/49/93/414474993.db2.gz GISCNVVHCXRCGC-SOUVJXGZSA-N 2 2 285.432 0.094 20 0 CCADLP C[NH+](C)CC(C)(C)[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC000660762659 414475883 /nfs/dbraw/zinc/47/58/83/414475883.db2.gz BSYFWSNPLIKERG-UHFFFAOYSA-N 2 2 268.409 0.900 20 0 CCADLP CCC[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031577 174026239 /nfs/dbraw/zinc/02/62/39/174026239.db2.gz KUPDRQSXVGYMQF-CHWSQXEVSA-N 2 2 298.431 0.043 20 0 CCADLP CCC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031577 174026241 /nfs/dbraw/zinc/02/62/41/174026241.db2.gz KUPDRQSXVGYMQF-CHWSQXEVSA-N 2 2 298.431 0.043 20 0 CCADLP CCC[NH+]1CCC([NH2+]CCCS(C)(=O)=O)CC1 ZINC000038047032 174057194 /nfs/dbraw/zinc/05/71/94/174057194.db2.gz SLKIOYZFSIZQTG-UHFFFAOYSA-N 2 2 262.419 0.885 20 0 CCADLP Cc1cc(C[NH+]2CCN(C[C@H]3C[NH2+]CCO3)CC2)on1 ZINC000662261230 414701821 /nfs/dbraw/zinc/70/18/21/414701821.db2.gz VDMHUEMHSXMPHE-CQSZACIVSA-N 2 2 280.372 0.089 20 0 CCADLP CC(C)[NH2+]C1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662261966 414702250 /nfs/dbraw/zinc/70/22/50/414702250.db2.gz CPOIYLYOUDRGSQ-CQSZACIVSA-N 3 2 267.417 0.970 20 0 CCADLP C[N@H+](Cc1coc(S(N)(=O)=O)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662266440 414702979 /nfs/dbraw/zinc/70/29/79/414702979.db2.gz ZCHVFKSERNJHQG-FOSCPWQOSA-N 2 2 299.396 0.642 20 0 CCADLP C[N@@H+](Cc1coc(S(N)(=O)=O)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000662266440 414702980 /nfs/dbraw/zinc/70/29/80/414702980.db2.gz ZCHVFKSERNJHQG-FOSCPWQOSA-N 2 2 299.396 0.642 20 0 CCADLP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000662265996 414703082 /nfs/dbraw/zinc/70/30/82/414703082.db2.gz VIMCPZJELYSNPL-OLZOCXBDSA-N 3 2 251.374 0.334 20 0 CCADLP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000662265996 414703083 /nfs/dbraw/zinc/70/30/83/414703083.db2.gz VIMCPZJELYSNPL-OLZOCXBDSA-N 3 2 251.374 0.334 20 0 CCADLP CO[C@@H](C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C1CCC1 ZINC000662267554 414703165 /nfs/dbraw/zinc/70/31/65/414703165.db2.gz VLDNPXJQRVGRLR-CABCVRRESA-N 2 2 295.427 0.698 20 0 CCADLP CO[C@@H](C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C1CCC1 ZINC000662267554 414703166 /nfs/dbraw/zinc/70/31/66/414703166.db2.gz VLDNPXJQRVGRLR-CABCVRRESA-N 2 2 295.427 0.698 20 0 CCADLP Cc1nc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])co1 ZINC000662270660 414703531 /nfs/dbraw/zinc/70/35/31/414703531.db2.gz BKPBQOIHVHMTMQ-ZDUSSCGKSA-N 2 2 280.372 0.803 20 0 CCADLP Cc1nc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])co1 ZINC000662270660 414703532 /nfs/dbraw/zinc/70/35/32/414703532.db2.gz BKPBQOIHVHMTMQ-ZDUSSCGKSA-N 2 2 280.372 0.803 20 0 CCADLP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000662275708 414703934 /nfs/dbraw/zinc/70/39/34/414703934.db2.gz HDXCITGIUYZTQI-FRRDWIJNSA-N 3 2 251.374 0.191 20 0 CCADLP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000662275708 414703935 /nfs/dbraw/zinc/70/39/35/414703935.db2.gz HDXCITGIUYZTQI-FRRDWIJNSA-N 3 2 251.374 0.191 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000662274468 414704154 /nfs/dbraw/zinc/70/41/54/414704154.db2.gz ULMAHAKDCVFFCF-HZSPNIEDSA-N 3 2 253.390 0.296 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000662274468 414704155 /nfs/dbraw/zinc/70/41/55/414704155.db2.gz ULMAHAKDCVFFCF-HZSPNIEDSA-N 3 2 253.390 0.296 20 0 CCADLP FC(F)CN1CCC[N@H+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662279861 414705240 /nfs/dbraw/zinc/70/52/40/414705240.db2.gz MOQUMJBQCIKRAT-LLVKDONJSA-N 2 2 263.332 0.248 20 0 CCADLP FC(F)CN1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662279861 414705241 /nfs/dbraw/zinc/70/52/41/414705241.db2.gz MOQUMJBQCIKRAT-LLVKDONJSA-N 2 2 263.332 0.248 20 0 CCADLP C[C@@H]1CCC[C@@H](NC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)[C@@H]1C ZINC000662286725 414706551 /nfs/dbraw/zinc/70/65/51/414706551.db2.gz ZRMMLJKGYPWBIN-MGPQQGTHSA-N 2 2 297.443 0.631 20 0 CCADLP Cc1ccc(NC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)cc1F ZINC000662285895 414706949 /nfs/dbraw/zinc/70/69/49/414706949.db2.gz LQMBVEVGYZUIHO-UHFFFAOYSA-N 2 2 295.358 0.777 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295923 414707483 /nfs/dbraw/zinc/70/74/83/414707483.db2.gz WXGXQUXPWOTRSQ-GJZGRUSLSA-N 3 2 267.417 0.686 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295923 414707484 /nfs/dbraw/zinc/70/74/84/414707484.db2.gz WXGXQUXPWOTRSQ-GJZGRUSLSA-N 3 2 267.417 0.686 20 0 CCADLP [NH3+]CC[N@@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000662297147 414708192 /nfs/dbraw/zinc/70/81/92/414708192.db2.gz BPSJLYQJESXCAA-BETUJISGSA-N 2 2 273.336 0.062 20 0 CCADLP [NH3+]CC[N@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000662297147 414708193 /nfs/dbraw/zinc/70/81/93/414708193.db2.gz BPSJLYQJESXCAA-BETUJISGSA-N 2 2 273.336 0.062 20 0 CCADLP C[NH+](C)CCC[C@H]1C[N@H+](CC(=O)NC2CC2)CCO1 ZINC000662315483 414709002 /nfs/dbraw/zinc/70/90/02/414709002.db2.gz GAZJPHBMDUQDMG-ZDUSSCGKSA-N 2 2 269.389 0.308 20 0 CCADLP C[NH+](C)CCC[C@H]1C[N@@H+](CC(=O)NC2CC2)CCO1 ZINC000662315483 414709003 /nfs/dbraw/zinc/70/90/03/414709003.db2.gz GAZJPHBMDUQDMG-ZDUSSCGKSA-N 2 2 269.389 0.308 20 0 CCADLP CC[C@H](C)NC(=O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662317990 414709298 /nfs/dbraw/zinc/70/92/98/414709298.db2.gz VNEZJPANZQFNRD-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP CC[C@H](C)NC(=O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662317990 414709299 /nfs/dbraw/zinc/70/92/99/414709299.db2.gz VNEZJPANZQFNRD-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP CC[C@H](C(N)=O)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321791 414709694 /nfs/dbraw/zinc/70/96/94/414709694.db2.gz JHCOEWMWFWIBHZ-NWDGAFQWSA-N 2 2 257.378 0.293 20 0 CCADLP CC[C@H](C(N)=O)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321791 414709695 /nfs/dbraw/zinc/70/96/95/414709695.db2.gz JHCOEWMWFWIBHZ-NWDGAFQWSA-N 2 2 257.378 0.293 20 0 CCADLP Cn1cc[nH+]c1CN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662324622 414709825 /nfs/dbraw/zinc/70/98/25/414709825.db2.gz ZJMOKGXJBNEXTL-ZDUSSCGKSA-N 2 2 266.389 0.963 20 0 CCADLP C(C[NH+]1CCOCC1)C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662033701 414687724 /nfs/dbraw/zinc/68/77/24/414687724.db2.gz KPCODBXROJCREF-KGLIPLIRSA-N 2 2 254.374 0.677 20 0 CCADLP C(C[NH+]1CCOCC1)C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662033701 414687725 /nfs/dbraw/zinc/68/77/25/414687725.db2.gz KPCODBXROJCREF-KGLIPLIRSA-N 2 2 254.374 0.677 20 0 CCADLP CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662158400 414694468 /nfs/dbraw/zinc/69/44/68/414694468.db2.gz UBEINXDYFHAYRF-HIFRSBDPSA-N 2 2 297.443 0.773 20 0 CCADLP CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662158400 414694469 /nfs/dbraw/zinc/69/44/69/414694469.db2.gz UBEINXDYFHAYRF-HIFRSBDPSA-N 2 2 297.443 0.773 20 0 CCADLP NS(=O)(=O)c1cc(C[NH+]2CCC(C[NH3+])CC2)co1 ZINC000662233121 414698631 /nfs/dbraw/zinc/69/86/31/414698631.db2.gz AIDJRHSPHMTBLK-UHFFFAOYSA-N 2 2 273.358 0.098 20 0 CCADLP C[C@@H]([NH3+])C1CC[NH+](Cc2nnn(CC(F)(F)F)n2)CC1 ZINC000662247166 414699043 /nfs/dbraw/zinc/69/90/43/414699043.db2.gz UNTXYGMQXJTAKT-MRVPVSSYSA-N 2 2 292.309 0.795 20 0 CCADLP CNS(=O)(=O)c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]C)C2)cc1 ZINC000662247523 414699237 /nfs/dbraw/zinc/69/92/37/414699237.db2.gz WYEDJSCIYRMPBJ-ZDUSSCGKSA-N 2 2 297.424 0.636 20 0 CCADLP CNS(=O)(=O)c1ccc(C[N@H+]2CC[C@@H](C[NH2+]C)C2)cc1 ZINC000662247523 414699238 /nfs/dbraw/zinc/69/92/38/414699238.db2.gz WYEDJSCIYRMPBJ-ZDUSSCGKSA-N 2 2 297.424 0.636 20 0 CCADLP Cc1noc(C2CC[NH+](C[C@H]3C[NH2+]CCO3)CC2)n1 ZINC000662252078 414700157 /nfs/dbraw/zinc/70/01/57/414700157.db2.gz ILIXSPUVFZVWSL-GFCCVEGCSA-N 2 2 266.345 0.546 20 0 CCADLP CCCNC(=O)[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662256507 414700510 /nfs/dbraw/zinc/70/05/10/414700510.db2.gz IOYNFSZMMMVUSQ-OLZOCXBDSA-N 2 2 269.389 0.213 20 0 CCADLP CCCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662256507 414700511 /nfs/dbraw/zinc/70/05/11/414700511.db2.gz IOYNFSZMMMVUSQ-OLZOCXBDSA-N 2 2 269.389 0.213 20 0 CCADLP [NH3+][C@@H](C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1c(F)cccc1F ZINC000662750291 414759186 /nfs/dbraw/zinc/75/91/86/414759186.db2.gz UFHKYJSUSYMOEJ-NYRNMGCKSA-N 2 2 287.285 0.862 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2cccc(N)c2Cl)[C@@H](C[NH3+])C1 ZINC000662428246 414717521 /nfs/dbraw/zinc/71/75/21/414717521.db2.gz HVJKOUGTIVTLLG-NSHDSACASA-N 2 2 296.802 0.566 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2cccc(N)c2Cl)[C@@H](C[NH3+])C1 ZINC000662428246 414717522 /nfs/dbraw/zinc/71/75/22/414717522.db2.gz HVJKOUGTIVTLLG-NSHDSACASA-N 2 2 296.802 0.566 20 0 CCADLP C[N@@H+]1CCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)[C@@H](C[NH3+])C1 ZINC000662428276 414717588 /nfs/dbraw/zinc/71/75/88/414717588.db2.gz IFUNVHLIWZXUQO-DZGCQCFKSA-N 3 2 288.395 0.322 20 0 CCADLP C[N@H+]1CCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)[C@@H](C[NH3+])C1 ZINC000662428276 414717589 /nfs/dbraw/zinc/71/75/89/414717589.db2.gz IFUNVHLIWZXUQO-DZGCQCFKSA-N 3 2 288.395 0.322 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000662446797 414719077 /nfs/dbraw/zinc/71/90/77/414719077.db2.gz IXQOPYCZRFGHFH-UTUOFQBUSA-N 2 2 257.378 0.210 20 0 CCADLP O=C(NCc1c[nH+]c[nH]1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662467465 414720877 /nfs/dbraw/zinc/72/08/77/414720877.db2.gz BJKQTILPLUAYGM-UHFFFAOYSA-N 2 2 275.312 0.795 20 0 CCADLP O=C(NCc1c[nH]c[nH+]1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662467465 414720878 /nfs/dbraw/zinc/72/08/78/414720878.db2.gz BJKQTILPLUAYGM-UHFFFAOYSA-N 2 2 275.312 0.795 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000662526512 414725455 /nfs/dbraw/zinc/72/54/55/414725455.db2.gz GCTQOELOFUQKHF-VIFPVBQESA-N 2 2 283.376 0.481 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000662586368 414730367 /nfs/dbraw/zinc/73/03/67/414730367.db2.gz SXXOPRTXUBZHOZ-LLVKDONJSA-N 2 2 252.318 0.137 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000662586368 414730368 /nfs/dbraw/zinc/73/03/68/414730368.db2.gz SXXOPRTXUBZHOZ-LLVKDONJSA-N 2 2 252.318 0.137 20 0 CCADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)N(C)Cc2c[nH+]c[nH]2)C1(C)C ZINC000662586582 414730505 /nfs/dbraw/zinc/73/05/05/414730505.db2.gz WKEIFZQAGMUBOD-RISCZKNCSA-N 2 2 280.372 0.901 20 0 CCADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)N(C)Cc2c[nH]c[nH+]2)C1(C)C ZINC000662586582 414730506 /nfs/dbraw/zinc/73/05/06/414730506.db2.gz WKEIFZQAGMUBOD-RISCZKNCSA-N 2 2 280.372 0.901 20 0 CCADLP COc1cccc(OC)c1CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000662628025 414734580 /nfs/dbraw/zinc/73/45/80/414734580.db2.gz VYARYQHGCRKVBS-GFCCVEGCSA-N 2 2 295.383 0.599 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000662630844 414735027 /nfs/dbraw/zinc/73/50/27/414735027.db2.gz NROKLOLBRQONQW-FRRDWIJNSA-N 2 2 271.405 0.600 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000662630844 414735028 /nfs/dbraw/zinc/73/50/28/414735028.db2.gz NROKLOLBRQONQW-FRRDWIJNSA-N 2 2 271.405 0.600 20 0 CCADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662653951 414737389 /nfs/dbraw/zinc/73/73/89/414737389.db2.gz AOOHVNRLZBGQCR-KBPBESRZSA-N 2 2 297.443 0.944 20 0 CCADLP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCCCCNc1cccc[nH+]1 ZINC000662710562 414745085 /nfs/dbraw/zinc/74/50/85/414745085.db2.gz HIUXZWWIYOQQHB-OLZOCXBDSA-N 2 2 292.383 0.754 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662714953 414745613 /nfs/dbraw/zinc/74/56/13/414745613.db2.gz NHWQHYKZHABARX-RYUDHWBXSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662714953 414745614 /nfs/dbraw/zinc/74/56/14/414745614.db2.gz NHWQHYKZHABARX-RYUDHWBXSA-N 2 2 269.389 0.211 20 0 CCADLP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1CSC[NH2+]1 ZINC000662840050 414834068 /nfs/dbraw/zinc/83/40/68/414834068.db2.gz XEWDGRUWYPHBBS-QJPTWQEYSA-N 2 2 269.414 0.782 20 0 CCADLP O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1CSC[NH2+]1 ZINC000662840050 414834073 /nfs/dbraw/zinc/83/40/73/414834073.db2.gz XEWDGRUWYPHBBS-QJPTWQEYSA-N 2 2 269.414 0.782 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000662858152 414849830 /nfs/dbraw/zinc/84/98/30/414849830.db2.gz UZROTEMSFXMVPA-CQSZACIVSA-N 3 2 284.448 0.376 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000662858152 414849834 /nfs/dbraw/zinc/84/98/34/414849834.db2.gz UZROTEMSFXMVPA-CQSZACIVSA-N 3 2 284.448 0.376 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C1([NH3+])CCCCC1 ZINC000662861280 414851000 /nfs/dbraw/zinc/85/10/00/414851000.db2.gz ZIJKINPIRPUUEG-OLZOCXBDSA-N 2 2 283.416 0.873 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C1([NH3+])CCCCC1 ZINC000662861280 414851009 /nfs/dbraw/zinc/85/10/09/414851009.db2.gz ZIJKINPIRPUUEG-OLZOCXBDSA-N 2 2 283.416 0.873 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)CC2([NH3+])CC2)[C@@H](C)CO1 ZINC000662860435 414851341 /nfs/dbraw/zinc/85/13/41/414851341.db2.gz RWOIIJQEDXOCJG-WDEREUQCSA-N 2 2 255.362 0.093 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)CC2([NH3+])CC2)[C@@H](C)CO1 ZINC000662860435 414851344 /nfs/dbraw/zinc/85/13/44/414851344.db2.gz RWOIIJQEDXOCJG-WDEREUQCSA-N 2 2 255.362 0.093 20 0 CCADLP CC1(C)CC[NH2+][C@@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662871380 414855730 /nfs/dbraw/zinc/85/57/30/414855730.db2.gz ZGSSSTBAWSXRHS-CHWSQXEVSA-N 2 2 281.400 0.308 20 0 CCADLP COc1ccc(N(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C)cn1 ZINC000662897820 414877965 /nfs/dbraw/zinc/87/79/65/414877965.db2.gz OXCRGUMZZKLZLS-NSHDSACASA-N 2 2 266.345 0.332 20 0 CCADLP C[C@H](NC(=O)[C@@H]1C[C@]12CCC[NH2+]C2)c1[nH+]ccn1C ZINC000662934747 414903985 /nfs/dbraw/zinc/90/39/85/414903985.db2.gz QFVKMJUBFCLLPJ-MJVIPROJSA-N 2 2 262.357 0.987 20 0 CCADLP C[C@@H](NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)c1[nH+]ccn1C ZINC000662934417 414904280 /nfs/dbraw/zinc/90/42/80/414904280.db2.gz NZDPPDIKUAWBSV-ZJUUUORDSA-N 2 2 288.355 0.711 20 0 CCADLP Cc1cc(CO)cc(N2CC[NH+](C[C@@H](C)O)CC2)[nH+]1 ZINC000663540123 415083754 /nfs/dbraw/zinc/08/37/54/415083754.db2.gz RXFWHFYALPDRFM-GFCCVEGCSA-N 2 2 265.357 0.385 20 0 CCADLP C[C@@H](O)CNc1cc(N2CC[C@@H](F)[C@H]([NH3+])C2)nc[nH+]1 ZINC000663277388 415034399 /nfs/dbraw/zinc/03/43/99/415034399.db2.gz ZGGGNZVPFDIJQE-OPRDCNLKSA-N 2 2 269.324 0.145 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1nncs1 ZINC000664332373 415348766 /nfs/dbraw/zinc/34/87/66/415348766.db2.gz XVNWZQHZUNSCBK-UHFFFAOYSA-N 2 2 286.405 0.543 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1nncs1 ZINC000664332373 415348771 /nfs/dbraw/zinc/34/87/71/415348771.db2.gz XVNWZQHZUNSCBK-UHFFFAOYSA-N 2 2 286.405 0.543 20 0 CCADLP C[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1cn[nH]c1 ZINC000664535988 415410920 /nfs/dbraw/zinc/41/09/20/415410920.db2.gz SWSSDBJECGDKLC-GFCCVEGCSA-N 2 2 296.419 0.653 20 0 CCADLP C[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1cn[nH]c1 ZINC000664535988 415410926 /nfs/dbraw/zinc/41/09/26/415410926.db2.gz SWSSDBJECGDKLC-GFCCVEGCSA-N 2 2 296.419 0.653 20 0 CCADLP Cc1cc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)nc[nH+]1 ZINC000664597014 415428586 /nfs/dbraw/zinc/42/85/86/415428586.db2.gz LZTYINZMLKQTQR-CYBMUJFWSA-N 2 2 262.357 0.820 20 0 CCADLP Cc1cc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)nc[nH+]1 ZINC000664597014 415428589 /nfs/dbraw/zinc/42/85/89/415428589.db2.gz LZTYINZMLKQTQR-CYBMUJFWSA-N 2 2 262.357 0.820 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)CO1 ZINC000665212546 415562556 /nfs/dbraw/zinc/56/25/56/415562556.db2.gz AIGNVICKITUGMW-OLZOCXBDSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CO1 ZINC000665212546 415562562 /nfs/dbraw/zinc/56/25/62/415562562.db2.gz AIGNVICKITUGMW-OLZOCXBDSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@H]([NH2+][C@H]1Cc2ccccc2N(C)C1=O)C1C[NH2+]C1 ZINC000665236904 415571806 /nfs/dbraw/zinc/57/18/06/415571806.db2.gz WDQJCUZVZNCDHN-GWCFXTLKSA-N 2 2 259.353 0.772 20 0 CCADLP Cc1cncc(CC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)n1 ZINC000665274239 415584139 /nfs/dbraw/zinc/58/41/39/415584139.db2.gz MEXZNQXFGCANGQ-HUUCEWRRSA-N 2 2 276.384 0.684 20 0 CCADLP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665294587 415592273 /nfs/dbraw/zinc/59/22/73/415592273.db2.gz RIUJSAMPMWLRED-MWLCHTKSSA-N 3 2 265.361 0.119 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+](CCN2C(=O)c3ccccc3C2=O)C1 ZINC000071145902 176042044 /nfs/dbraw/zinc/04/20/44/176042044.db2.gz NYUFHASRGCYLRG-GFCCVEGCSA-N 2 2 287.363 0.824 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+](CCN2C(=O)c3ccccc3C2=O)C1 ZINC000071145902 176042045 /nfs/dbraw/zinc/04/20/45/176042045.db2.gz NYUFHASRGCYLRG-GFCCVEGCSA-N 2 2 287.363 0.824 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000071276098 176106907 /nfs/dbraw/zinc/10/69/07/176106907.db2.gz LWXMHWJVKZQQAG-NSHDSACASA-N 2 2 250.346 0.816 20 0 CCADLP O=C(NCC[NH+]1CCCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000665532083 416448309 /nfs/dbraw/zinc/44/83/09/416448309.db2.gz ZWPCWFJZYKLVAY-LBPRGKRZSA-N 2 2 262.357 0.658 20 0 CCADLP C[C@@H]1CCC[N@H+](CCN2C(=O)CCC2=O)[C@@H]1C[NH3+] ZINC000070178075 544450221 /nfs/dbraw/zinc/45/02/21/544450221.db2.gz KUMUTPSXYWDFCL-GHMZBOCLSA-N 2 2 253.346 0.195 20 0 CCADLP C[C@@H]1CCC[N@@H+](CCN2C(=O)CCC2=O)[C@@H]1C[NH3+] ZINC000070178075 544450226 /nfs/dbraw/zinc/45/02/26/544450226.db2.gz KUMUTPSXYWDFCL-GHMZBOCLSA-N 2 2 253.346 0.195 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000078758331 544470920 /nfs/dbraw/zinc/47/09/20/544470920.db2.gz OUKVMPWVCIXAGT-ZDUSSCGKSA-N 2 2 271.405 0.506 20 0 CCADLP Cn1c2cc(C[N@@H+]3CCC[NH2+]CC3)ccc2oc1=O ZINC000082621814 544485529 /nfs/dbraw/zinc/48/55/29/544485529.db2.gz NUMWDPGXWDIPMG-UHFFFAOYSA-N 2 2 261.325 0.927 20 0 CCADLP Cn1c2cc(C[N@H+]3CCC[NH2+]CC3)ccc2oc1=O ZINC000082621814 544485532 /nfs/dbraw/zinc/48/55/32/544485532.db2.gz NUMWDPGXWDIPMG-UHFFFAOYSA-N 2 2 261.325 0.927 20 0 CCADLP CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCOC1 ZINC000093159431 544538068 /nfs/dbraw/zinc/53/80/68/544538068.db2.gz BIWWYUGLFRWEMB-ZDUSSCGKSA-N 2 2 269.389 0.119 20 0 CCADLP CC[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCOC1 ZINC000093159431 544538071 /nfs/dbraw/zinc/53/80/71/544538071.db2.gz BIWWYUGLFRWEMB-ZDUSSCGKSA-N 2 2 269.389 0.119 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000091592203 544528462 /nfs/dbraw/zinc/52/84/62/544528462.db2.gz AKVPZUNKJJBAEO-HNNXBMFYSA-N 2 2 290.411 0.924 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNc1cc[nH+]c(N2CCOCC2)n1 ZINC000624620675 419424188 /nfs/dbraw/zinc/42/41/88/419424188.db2.gz JIWMUUKCFNQIRR-GFCCVEGCSA-N 2 2 293.371 0.056 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNc1cc[nH+]c(N2CCOCC2)n1 ZINC000624620675 419424197 /nfs/dbraw/zinc/42/41/97/419424197.db2.gz JIWMUUKCFNQIRR-GFCCVEGCSA-N 2 2 293.371 0.056 20 0 CCADLP C[N@@H+](C[C@@H]1COc2ccccc2O1)C[C@@H]1C[NH2+]CCO1 ZINC000126784995 544600121 /nfs/dbraw/zinc/60/01/21/544600121.db2.gz YCFAMNXIQKYHCV-QWHCGFSZSA-N 2 2 278.352 0.747 20 0 CCADLP C[N@H+](C[C@@H]1COc2ccccc2O1)C[C@@H]1C[NH2+]CCO1 ZINC000126784995 544600124 /nfs/dbraw/zinc/60/01/24/544600124.db2.gz YCFAMNXIQKYHCV-QWHCGFSZSA-N 2 2 278.352 0.747 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)CC[C@@H]1[NH3+] ZINC000147462576 544646835 /nfs/dbraw/zinc/64/68/35/544646835.db2.gz KLOKJOSRFCPOQX-YPMHNXCESA-N 2 2 269.389 0.341 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)CC[C@@H]1[NH3+] ZINC000147462576 544646839 /nfs/dbraw/zinc/64/68/39/544646839.db2.gz KLOKJOSRFCPOQX-YPMHNXCESA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccoc1 ZINC000163239392 544715219 /nfs/dbraw/zinc/71/52/19/544715219.db2.gz CFBULNBNBBNBIZ-LLVKDONJSA-N 2 2 251.330 0.704 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)c2ccc(C[NH3+])o2)CC1 ZINC000164467242 544720137 /nfs/dbraw/zinc/72/01/37/544720137.db2.gz GEWLFEMIEXLAMU-UHFFFAOYSA-N 2 2 281.356 0.533 20 0 CCADLP C[C@H](O)CCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179285714 544750811 /nfs/dbraw/zinc/75/08/11/544750811.db2.gz WBRZLAIGBKDBCU-LBPRGKRZSA-N 2 2 286.420 0.083 20 0 CCADLP CCO[C@H]1C[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000224612206 544827534 /nfs/dbraw/zinc/82/75/34/544827534.db2.gz IRWSCHSTUAQVHS-STQMWFEESA-N 2 2 283.416 0.554 20 0 CCADLP CCS(=O)(=O)CCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226873743 544831309 /nfs/dbraw/zinc/83/13/09/544831309.db2.gz GOYJSOURBQORDS-RYUDHWBXSA-N 2 2 262.419 0.884 20 0 CCADLP CCS(=O)(=O)CCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226873743 544831315 /nfs/dbraw/zinc/83/13/15/544831315.db2.gz GOYJSOURBQORDS-RYUDHWBXSA-N 2 2 262.419 0.884 20 0 CCADLP COCCN(CC[NH+](C)C)C(=O)CCc1c[nH+]c[nH]1 ZINC000276642532 544955311 /nfs/dbraw/zinc/95/53/11/544955311.db2.gz VCMSSJXKGJGSLE-UHFFFAOYSA-N 2 2 268.361 0.379 20 0 CCADLP COCCN(CC[NH+](C)C)C(=O)CCc1c[nH]c[nH+]1 ZINC000276642532 544955315 /nfs/dbraw/zinc/95/53/15/544955315.db2.gz VCMSSJXKGJGSLE-UHFFFAOYSA-N 2 2 268.361 0.379 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000422986570 287625732 /nfs/dbraw/zinc/62/57/32/287625732.db2.gz CTJUTIYJXQMQEW-SYAUCNOPSA-N 3 2 281.444 0.952 20 0 CCADLP CC1CC[NH+](CC(=O)NCc2c[nH+]cn2C)CC1 ZINC000291132995 544971685 /nfs/dbraw/zinc/97/16/85/544971685.db2.gz FHUNLZYVSNNPTJ-UHFFFAOYSA-N 2 2 250.346 0.768 20 0 CCADLP C[C@@H]1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)[C@H](C[NH3+])C1 ZINC000333616081 545041118 /nfs/dbraw/zinc/04/11/18/545041118.db2.gz RCHDKWHOUXCBOB-UPJWGTAASA-N 2 2 291.399 0.967 20 0 CCADLP CC[N@@H+]1CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000351882370 545068884 /nfs/dbraw/zinc/06/88/84/545068884.db2.gz FZSPGCFDYACORJ-LLVKDONJSA-N 2 2 250.346 0.800 20 0 CCADLP CC[N@H+]1CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000351882370 545068885 /nfs/dbraw/zinc/06/88/85/545068885.db2.gz FZSPGCFDYACORJ-LLVKDONJSA-N 2 2 250.346 0.800 20 0 CCADLP CC[N@@H+]1CC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000351882370 545068886 /nfs/dbraw/zinc/06/88/86/545068886.db2.gz FZSPGCFDYACORJ-LLVKDONJSA-N 2 2 250.346 0.800 20 0 CCADLP CC[N@H+]1CC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000351882370 545068887 /nfs/dbraw/zinc/06/88/87/545068887.db2.gz FZSPGCFDYACORJ-LLVKDONJSA-N 2 2 250.346 0.800 20 0 CCADLP [NH3+][C@H]1C[C@@H](C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000519160210 265347697 /nfs/dbraw/zinc/34/76/97/265347697.db2.gz GMFXQMWLBAEDOW-MJBXVCDLSA-N 2 2 281.400 0.437 20 0 CCADLP C(C[NH+](C1CC1)C1COC1)OCC[N@H+](C1CC1)C1COC1 ZINC000451125505 275390666 /nfs/dbraw/zinc/39/06/66/275390666.db2.gz MTNLVMKQLPVDAR-UHFFFAOYSA-N 2 2 296.411 0.729 20 0 CCADLP C(C[NH+](C1CC1)C1COC1)OCC[N@@H+](C1CC1)C1COC1 ZINC000451125505 275390667 /nfs/dbraw/zinc/39/06/67/275390667.db2.gz MTNLVMKQLPVDAR-UHFFFAOYSA-N 2 2 296.411 0.729 20 0 CCADLP CC[NH+](CC)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000368890008 276099117 /nfs/dbraw/zinc/09/91/17/276099117.db2.gz SLYYZLJZTDSENI-LBPRGKRZSA-N 2 2 264.373 0.904 20 0 CCADLP COC(=O)[C@@](C)(O)C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000343957217 277112779 /nfs/dbraw/zinc/11/27/79/277112779.db2.gz IEVDNZZSVIIMKY-HNNXBMFYSA-N 2 2 298.383 0.957 20 0 CCADLP COC(=O)[C@@](C)(O)C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000343957217 277112780 /nfs/dbraw/zinc/11/27/80/277112780.db2.gz IEVDNZZSVIIMKY-HNNXBMFYSA-N 2 2 298.383 0.957 20 0 CCADLP COC(=O)[C@@](C)(O)C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000343957217 277112782 /nfs/dbraw/zinc/11/27/82/277112782.db2.gz IEVDNZZSVIIMKY-HNNXBMFYSA-N 2 2 298.383 0.957 20 0 CCADLP COC(=O)[C@@](C)(O)C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000343957217 277112783 /nfs/dbraw/zinc/11/27/83/277112783.db2.gz IEVDNZZSVIIMKY-HNNXBMFYSA-N 2 2 298.383 0.957 20 0 CCADLP COC(=O)[C@H](C)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355035755 277117567 /nfs/dbraw/zinc/11/75/67/277117567.db2.gz VDEHMHSLLZWWAI-OLZOCXBDSA-N 2 2 283.416 0.648 20 0 CCADLP COC(=O)[C@H](C)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355035755 277117568 /nfs/dbraw/zinc/11/75/68/277117568.db2.gz VDEHMHSLLZWWAI-OLZOCXBDSA-N 2 2 283.416 0.648 20 0 CCADLP C[N@@H+]1CC[C@@H]2CCN(c3cc(-n4cccn4)nc(N)[nH+]3)[C@H]2C1 ZINC000272202086 277146551 /nfs/dbraw/zinc/14/65/51/277146551.db2.gz OSJMJQWLKSJOMJ-NEPJUHHUSA-N 2 2 299.382 0.775 20 0 CCADLP C[N@H+]1CC[C@@H]2CCN(c3cc(-n4cccn4)nc(N)[nH+]3)[C@H]2C1 ZINC000272202086 277146552 /nfs/dbraw/zinc/14/65/52/277146552.db2.gz OSJMJQWLKSJOMJ-NEPJUHHUSA-N 2 2 299.382 0.775 20 0 CCADLP COC[C@H]([NH3+])C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000262356188 277261149 /nfs/dbraw/zinc/26/11/49/277261149.db2.gz VAWQODOPHZJGCU-UWVGGRQHSA-N 2 2 252.318 0.089 20 0 CCADLP COC(=O)[C@H](C1CC1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000310776641 277382691 /nfs/dbraw/zinc/38/26/91/277382691.db2.gz ARVKFMFLNDDIBS-GXTWGEPZSA-N 2 2 252.358 0.966 20 0 CCADLP COC(=O)[C@H](C1CC1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000310776641 277382692 /nfs/dbraw/zinc/38/26/92/277382692.db2.gz ARVKFMFLNDDIBS-GXTWGEPZSA-N 2 2 252.358 0.966 20 0 CCADLP COC(=O)[C@H](C1CC1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000310776641 277382693 /nfs/dbraw/zinc/38/26/93/277382693.db2.gz ARVKFMFLNDDIBS-GXTWGEPZSA-N 2 2 252.358 0.966 20 0 CCADLP COC(=O)[C@H](C1CC1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000310776641 277382695 /nfs/dbraw/zinc/38/26/95/277382695.db2.gz ARVKFMFLNDDIBS-GXTWGEPZSA-N 2 2 252.358 0.966 20 0 CCADLP CC(C)C[C@H]([NH3+])CN1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000414691374 277489332 /nfs/dbraw/zinc/48/93/32/277489332.db2.gz JADIVHWQHPHRQW-ZDUSSCGKSA-N 2 2 265.405 0.901 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1CCCC[NH2+]1)[C@@H](C)[NH+]1CCOCC1 ZINC000167687440 277611347 /nfs/dbraw/zinc/61/13/47/277611347.db2.gz ZHUSPZFCTIVYGE-UPJWGTAASA-N 2 2 269.389 0.354 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000333845188 278015913 /nfs/dbraw/zinc/01/59/13/278015913.db2.gz PAQXTAKNRVWKPP-KWCYVHTRSA-N 2 2 296.415 0.228 20 0 CCADLP C[C@H](NC(=O)NC[C@@H]([NH3+])C1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000417527354 278243874 /nfs/dbraw/zinc/24/38/74/278243874.db2.gz VLHUNQYUAQZUKD-GMXVVIOVSA-N 2 2 284.404 0.132 20 0 CCADLP C[C@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000333246045 278271292 /nfs/dbraw/zinc/27/12/92/278271292.db2.gz FSZNXIMWUXCLGI-TUAOUCFPSA-N 2 2 275.418 0.141 20 0 CCADLP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000429681268 279036754 /nfs/dbraw/zinc/03/67/54/279036754.db2.gz VLCUNCNGQLSYDG-HNNXBMFYSA-N 3 2 296.459 0.424 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000429681268 279036756 /nfs/dbraw/zinc/03/67/56/279036756.db2.gz VLCUNCNGQLSYDG-HNNXBMFYSA-N 3 2 296.459 0.424 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000429681268 279036757 /nfs/dbraw/zinc/03/67/57/279036757.db2.gz VLCUNCNGQLSYDG-HNNXBMFYSA-N 3 2 296.459 0.424 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000429681268 279036759 /nfs/dbraw/zinc/03/67/59/279036759.db2.gz VLCUNCNGQLSYDG-HNNXBMFYSA-N 3 2 296.459 0.424 20 0 CCADLP CC[N@H+](CCNC(=O)CCc1c[nH+]cn1C)C1CC1 ZINC000276559722 279192299 /nfs/dbraw/zinc/19/22/99/279192299.db2.gz IXPANQMQSCGQKN-UHFFFAOYSA-N 2 2 264.373 0.953 20 0 CCADLP CC[N@@H+](CCNC(=O)CCc1c[nH+]cn1C)C1CC1 ZINC000276559722 279192302 /nfs/dbraw/zinc/19/23/02/279192302.db2.gz IXPANQMQSCGQKN-UHFFFAOYSA-N 2 2 264.373 0.953 20 0 CCADLP C[C@H](C(=O)NC[C@H]1C[NH+]2CCN1CC2)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000246088909 279226357 /nfs/dbraw/zinc/22/63/57/279226357.db2.gz ICYVQHJVUXTTOW-BARDWOONSA-N 2 2 294.443 0.364 20 0 CCADLP C[C@H](C(=O)NC[C@H]1C[NH+]2CCN1CC2)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000246088909 279226359 /nfs/dbraw/zinc/22/63/59/279226359.db2.gz ICYVQHJVUXTTOW-BARDWOONSA-N 2 2 294.443 0.364 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NC(C)C)C2)CC1 ZINC000107372447 279372312 /nfs/dbraw/zinc/37/23/12/279372312.db2.gz JFGHTJFUXDNXGV-AWEZNQCLSA-N 2 2 282.432 0.223 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NC(C)C)C2)CC1 ZINC000107372447 279372315 /nfs/dbraw/zinc/37/23/15/279372315.db2.gz JFGHTJFUXDNXGV-AWEZNQCLSA-N 2 2 282.432 0.223 20 0 CCADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)CCn1cc[nH+]c1 ZINC000275441059 288144525 /nfs/dbraw/zinc/14/45/25/288144525.db2.gz MFPLVTJEAQZGEH-CYBMUJFWSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)CCn1cc[nH+]c1 ZINC000275441059 288144530 /nfs/dbraw/zinc/14/45/30/288144530.db2.gz MFPLVTJEAQZGEH-CYBMUJFWSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@H](C2CC2)O1 ZINC000352364621 288184677 /nfs/dbraw/zinc/18/46/77/288184677.db2.gz GVTNRRFBLKSRBK-BYCMXARLSA-N 2 2 268.401 0.941 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@H](C2CC2)O1 ZINC000352364621 288184678 /nfs/dbraw/zinc/18/46/78/288184678.db2.gz GVTNRRFBLKSRBK-BYCMXARLSA-N 2 2 268.401 0.941 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C[C@H](C2CC2)O1 ZINC000352364621 288184679 /nfs/dbraw/zinc/18/46/79/288184679.db2.gz GVTNRRFBLKSRBK-BYCMXARLSA-N 2 2 268.401 0.941 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C[C@H](C2CC2)O1 ZINC000352364621 288184680 /nfs/dbraw/zinc/18/46/80/288184680.db2.gz GVTNRRFBLKSRBK-BYCMXARLSA-N 2 2 268.401 0.941 20 0 CCADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000262150798 280057634 /nfs/dbraw/zinc/05/76/34/280057634.db2.gz HTMOEGHDDRANSB-UPJWGTAASA-N 2 2 267.373 0.060 20 0 CCADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000262150798 280057636 /nfs/dbraw/zinc/05/76/36/280057636.db2.gz HTMOEGHDDRANSB-UPJWGTAASA-N 2 2 267.373 0.060 20 0 CCADLP CC[C@@H](C(=O)NCC[N@@H+]1CCO[C@H](CC)C1)[NH+](C)C ZINC000427734491 280076565 /nfs/dbraw/zinc/07/65/65/280076565.db2.gz MVKKQFVBNPSLLE-OLZOCXBDSA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@@H](C(=O)NCC[N@H+]1CCO[C@H](CC)C1)[NH+](C)C ZINC000427734491 280076568 /nfs/dbraw/zinc/07/65/68/280076568.db2.gz MVKKQFVBNPSLLE-OLZOCXBDSA-N 2 2 271.405 0.554 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000417530349 280285832 /nfs/dbraw/zinc/28/58/32/280285832.db2.gz YGARKWPCAXUQSH-YNEHKIRRSA-N 2 2 286.420 0.378 20 0 CCADLP C[NH+](C)C(C)(C)CNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000367784995 289035382 /nfs/dbraw/zinc/03/53/82/289035382.db2.gz RZIPYZRCVPXOJZ-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@H](C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)[NH+]1CCOCC1 ZINC000428724188 289279900 /nfs/dbraw/zinc/27/99/00/289279900.db2.gz VITBKYHRZGQVFG-ILXRZTDVSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@H](C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)[NH+]1CCOCC1 ZINC000428724188 289279905 /nfs/dbraw/zinc/27/99/05/289279905.db2.gz VITBKYHRZGQVFG-ILXRZTDVSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246464969 289331331 /nfs/dbraw/zinc/33/13/31/289331331.db2.gz ZCGXVACMZUHEIQ-NEPJUHHUSA-N 2 2 298.431 0.883 20 0 CCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246464969 289331335 /nfs/dbraw/zinc/33/13/35/289331335.db2.gz ZCGXVACMZUHEIQ-NEPJUHHUSA-N 2 2 298.431 0.883 20 0 CCADLP C[C@H](CS(C)(=O)=O)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367435637 289723164 /nfs/dbraw/zinc/72/31/64/289723164.db2.gz CKHNCPIYXYAKII-SNVBAGLBSA-N 2 2 271.386 0.742 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)c2ccccc2C1 ZINC000188180373 290027328 /nfs/dbraw/zinc/02/73/28/290027328.db2.gz KPPZEWXVMHLNND-CQSZACIVSA-N 2 2 275.352 0.453 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)c2ccccc2C1 ZINC000188180373 290027332 /nfs/dbraw/zinc/02/73/32/290027332.db2.gz KPPZEWXVMHLNND-CQSZACIVSA-N 2 2 275.352 0.453 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000252549577 290107962 /nfs/dbraw/zinc/10/79/62/290107962.db2.gz NVHSKRDBPIFCJE-UPJWGTAASA-N 2 2 269.389 0.341 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000252549577 290107964 /nfs/dbraw/zinc/10/79/64/290107964.db2.gz NVHSKRDBPIFCJE-UPJWGTAASA-N 2 2 269.389 0.341 20 0 CCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[NH+](C)CC1)C2 ZINC000289524557 293619219 /nfs/dbraw/zinc/61/92/19/293619219.db2.gz BIQSTAREUZGSDS-GFCCVEGCSA-N 2 2 262.357 0.528 20 0 CCADLP C[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000262093914 297028764 /nfs/dbraw/zinc/02/87/64/297028764.db2.gz VABRVZAOVJADCU-IXDOHACOSA-N 3 2 294.487 0.944 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000262093914 297028765 /nfs/dbraw/zinc/02/87/65/297028765.db2.gz VABRVZAOVJADCU-IXDOHACOSA-N 3 2 294.487 0.944 20 0 CCADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC(=O)NC[C@H]1CCCO1)C2 ZINC000383356029 545085113 /nfs/dbraw/zinc/08/51/13/545085113.db2.gz CJRFPRIPHNPFRJ-GUTXKFCHSA-N 2 2 281.400 0.342 20 0 CCADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC[C@H]1CCCO1)C2 ZINC000383356029 545085114 /nfs/dbraw/zinc/08/51/14/545085114.db2.gz CJRFPRIPHNPFRJ-GUTXKFCHSA-N 2 2 281.400 0.342 20 0 CCADLP [NH3+]C1(C[NH2+]CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CCC1 ZINC000342125529 295209177 /nfs/dbraw/zinc/20/91/77/295209177.db2.gz JDOQOGJVKKNDSQ-QWHCGFSZSA-N 2 2 281.400 0.627 20 0 CCADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H](C)CC(N)=O)cc1 ZINC000423335239 295225391 /nfs/dbraw/zinc/22/53/91/295225391.db2.gz PUHUBFNHAUFUBD-TUKIKUTGSA-N 2 2 291.395 0.994 20 0 CCADLP [NH3+][C@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000422697637 295334854 /nfs/dbraw/zinc/33/48/54/295334854.db2.gz VLHKLPVEJRRCMI-GXTWGEPZSA-N 2 2 281.400 0.580 20 0 CCADLP [NH3+][C@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000422697637 295334855 /nfs/dbraw/zinc/33/48/55/295334855.db2.gz VLHKLPVEJRRCMI-GXTWGEPZSA-N 2 2 281.400 0.580 20 0 CCADLP O=C(NCC[NH+]1CCSCC1)[C@H]1CC[NH2+]CC1(F)F ZINC000342766033 295649041 /nfs/dbraw/zinc/64/90/41/295649041.db2.gz RSIJDEWDZRUJCD-SNVBAGLBSA-N 2 2 293.383 0.396 20 0 CCADLP C[C@@H]1COCC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000354123976 297145223 /nfs/dbraw/zinc/14/52/23/297145223.db2.gz FHSLEYRTTRQYSS-KFWWJZLASA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]1COCC[C@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000354123976 297145225 /nfs/dbraw/zinc/14/52/25/297145225.db2.gz FHSLEYRTTRQYSS-KFWWJZLASA-N 2 2 297.443 0.944 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@H](C)[C@@H]1C ZINC000399487326 545089259 /nfs/dbraw/zinc/08/92/59/545089259.db2.gz GSJBNJASFKRIJJ-XUXIUFHCSA-N 2 2 258.406 0.902 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@H](C)[C@@H]1C ZINC000399487326 545089260 /nfs/dbraw/zinc/08/92/60/545089260.db2.gz GSJBNJASFKRIJJ-XUXIUFHCSA-N 2 2 258.406 0.902 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)[C@H](C)[C@@H]1C ZINC000399487326 545089261 /nfs/dbraw/zinc/08/92/61/545089261.db2.gz GSJBNJASFKRIJJ-XUXIUFHCSA-N 2 2 258.406 0.902 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)[C@H](C)[C@@H]1C ZINC000399487326 545089262 /nfs/dbraw/zinc/08/92/62/545089262.db2.gz GSJBNJASFKRIJJ-XUXIUFHCSA-N 2 2 258.406 0.902 20 0 CCADLP C[C@H](CC(=O)N(C)C)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449394999 298280482 /nfs/dbraw/zinc/28/04/82/298280482.db2.gz PAFMJTCZISXGKX-CHWSQXEVSA-N 2 2 271.405 0.290 20 0 CCADLP C[C@H](CC(=O)N(C)C)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449394999 298280486 /nfs/dbraw/zinc/28/04/86/298280486.db2.gz PAFMJTCZISXGKX-CHWSQXEVSA-N 2 2 271.405 0.290 20 0 CCADLP C[C@H](C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1)CN1CC[NH+](C)CC1 ZINC000422709733 298789032 /nfs/dbraw/zinc/78/90/32/298789032.db2.gz DVWXFBTZWCNDTA-BZUAXINKSA-N 3 2 282.476 0.990 20 0 CCADLP Cc1cnc([C@H](C)[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)o1 ZINC000420314719 302370293 /nfs/dbraw/zinc/37/02/93/302370293.db2.gz WCUDJTNDUIMZRT-STQMWFEESA-N 2 2 292.383 0.940 20 0 CCADLP Cc1cnc([C@H](C)[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)o1 ZINC000420314719 302370297 /nfs/dbraw/zinc/37/02/97/302370297.db2.gz WCUDJTNDUIMZRT-STQMWFEESA-N 2 2 292.383 0.940 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CN(C(=O)[C@@H]([NH3+])C(C)(C)C)CCN1C ZINC000423863403 303007246 /nfs/dbraw/zinc/00/72/46/303007246.db2.gz HZGUXMHXKGCIGU-VXGBXAGGSA-N 2 2 293.415 0.609 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[C@H]1CCC[NH2+]C1 ZINC000104357759 303594550 /nfs/dbraw/zinc/59/45/50/303594550.db2.gz QWTJFNXNLGOXMQ-GFCCVEGCSA-N 2 2 250.346 0.779 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000582734267 329132581 /nfs/dbraw/zinc/13/25/81/329132581.db2.gz VJVCHFCOPAZYQW-WOPDTQHZSA-N 2 2 298.349 0.934 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000582734267 329132582 /nfs/dbraw/zinc/13/25/82/329132582.db2.gz VJVCHFCOPAZYQW-WOPDTQHZSA-N 2 2 298.349 0.934 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000582734267 329132583 /nfs/dbraw/zinc/13/25/83/329132583.db2.gz VJVCHFCOPAZYQW-WOPDTQHZSA-N 2 2 298.349 0.934 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000582734267 329132584 /nfs/dbraw/zinc/13/25/84/329132584.db2.gz VJVCHFCOPAZYQW-WOPDTQHZSA-N 2 2 298.349 0.934 20 0 CCADLP CC[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000575320954 335093222 /nfs/dbraw/zinc/09/32/22/335093222.db2.gz PCMAPRSOJFFLBX-SRVKXCTJSA-N 2 2 275.418 0.141 20 0 CCADLP Cc1ncc(C[NH2+]C2(CCO)CC[NH+](C)CC2)cn1 ZINC000584183218 327062176 /nfs/dbraw/zinc/06/21/76/327062176.db2.gz ZJAFFHTZFYFYJB-UHFFFAOYSA-N 2 2 264.373 0.721 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C[NH+]1CC(C)(C)C1 ZINC000584241605 327125342 /nfs/dbraw/zinc/12/53/42/327125342.db2.gz PRWKSAVCKKHBKH-CYBMUJFWSA-N 2 2 283.416 0.507 20 0 CCADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCNc1cccc[nH+]1 ZINC000573483069 327183439 /nfs/dbraw/zinc/18/34/39/327183439.db2.gz IGERGJGMLUAOCZ-VXGBXAGGSA-N 2 2 262.357 0.998 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CN1CCOCC1 ZINC000577623250 327276723 /nfs/dbraw/zinc/27/67/23/327276723.db2.gz JLXOZPVKCCQRAA-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CN1CCOCC1 ZINC000577623250 327276724 /nfs/dbraw/zinc/27/67/24/327276724.db2.gz JLXOZPVKCCQRAA-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000577623250 327276726 /nfs/dbraw/zinc/27/67/26/327276726.db2.gz JLXOZPVKCCQRAA-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000577623250 327276728 /nfs/dbraw/zinc/27/67/28/327276728.db2.gz JLXOZPVKCCQRAA-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP CC[N@H+](C)C[C@@H](O)CN1CCC[C@H]1C[NH+]1CCOCC1 ZINC000577623250 327276729 /nfs/dbraw/zinc/27/67/29/327276729.db2.gz JLXOZPVKCCQRAA-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)CN1CCC[C@H]1C[NH+]1CCOCC1 ZINC000577623250 327276730 /nfs/dbraw/zinc/27/67/30/327276730.db2.gz JLXOZPVKCCQRAA-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP Cn1cc([C@@H]2C[N@H+](C[C@H]3CCCC[C@@H]3O)C[C@H]2[NH3+])cn1 ZINC000583697953 329068862 /nfs/dbraw/zinc/06/88/62/329068862.db2.gz DUEHNJQZHMLSAZ-BEAPCOKYSA-N 2 2 278.400 0.698 20 0 CCADLP Cn1cc([C@@H]2C[N@@H+](C[C@H]3CCCC[C@@H]3O)C[C@H]2[NH3+])cn1 ZINC000583697953 329068863 /nfs/dbraw/zinc/06/88/63/329068863.db2.gz DUEHNJQZHMLSAZ-BEAPCOKYSA-N 2 2 278.400 0.698 20 0 CCADLP COC(=O)C[N@@H+]1CCC[C@H](CNc2cc(C)[nH+]c(C)n2)C1 ZINC000582755716 329144702 /nfs/dbraw/zinc/14/47/02/329144702.db2.gz JXBUSNUSACESBF-CYBMUJFWSA-N 2 2 292.383 0.812 20 0 CCADLP COC(=O)C[N@H+]1CCC[C@H](CNc2cc(C)[nH+]c(C)n2)C1 ZINC000582755716 329144703 /nfs/dbraw/zinc/14/47/03/329144703.db2.gz JXBUSNUSACESBF-CYBMUJFWSA-N 2 2 292.383 0.812 20 0 CCADLP C[C@H](C(=O)NCC[N@@H+]1CCOC[C@H]1C)[NH+]1CC(C)C1 ZINC000582913335 329287726 /nfs/dbraw/zinc/28/77/26/329287726.db2.gz FWSOZLCZQWHOBM-CHWSQXEVSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@H](C(=O)NCC[N@H+]1CCOC[C@H]1C)[NH+]1CC(C)C1 ZINC000582913335 329287728 /nfs/dbraw/zinc/28/77/28/329287728.db2.gz FWSOZLCZQWHOBM-CHWSQXEVSA-N 2 2 269.389 0.164 20 0 CCADLP COc1ccncc1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000575795177 335115546 /nfs/dbraw/zinc/11/55/46/335115546.db2.gz XFYDZPJHVBAVGX-HUUCEWRRSA-N 2 2 277.368 0.947 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCOC2(CCOCC2)CC1)C1CC1 ZINC000576031650 335143484 /nfs/dbraw/zinc/14/34/84/335143484.db2.gz IZEUDXCRKSZFMW-HNNXBMFYSA-N 2 2 298.427 0.713 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCOC2(CCOCC2)CC1)C1CC1 ZINC000576031650 335143485 /nfs/dbraw/zinc/14/34/85/335143485.db2.gz IZEUDXCRKSZFMW-HNNXBMFYSA-N 2 2 298.427 0.713 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCOC2(CCOCC2)CC1)C1CC1 ZINC000576031650 335143486 /nfs/dbraw/zinc/14/34/86/335143486.db2.gz IZEUDXCRKSZFMW-HNNXBMFYSA-N 2 2 298.427 0.713 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCOC2(CCOCC2)CC1)C1CC1 ZINC000576031650 335143487 /nfs/dbraw/zinc/14/34/87/335143487.db2.gz IZEUDXCRKSZFMW-HNNXBMFYSA-N 2 2 298.427 0.713 20 0 CCADLP Cc1[nH+]ccn1CCCN1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000576063853 335148062 /nfs/dbraw/zinc/14/80/62/335148062.db2.gz SBJILYCBLQIXRR-STQMWFEESA-N 2 2 252.362 0.188 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](O)[C@@H](N(C)C)C1 ZINC000576063853 335148064 /nfs/dbraw/zinc/14/80/64/335148064.db2.gz SBJILYCBLQIXRR-STQMWFEESA-N 2 2 252.362 0.188 20 0 CCADLP COC[C@@]1(C(=O)Nc2ccc(N)[nH+]c2)CC[NH2+]C1 ZINC000576100031 335153712 /nfs/dbraw/zinc/15/37/12/335153712.db2.gz UMCQSORRLNJXPA-GFCCVEGCSA-N 2 2 250.302 0.059 20 0 CCADLP [NH3+]CCCCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000576155973 335161671 /nfs/dbraw/zinc/16/16/71/335161671.db2.gz QBBUOMUZEBLSGG-ZDUSSCGKSA-N 2 2 269.389 0.439 20 0 CCADLP Cc1nc(N(C)C)nc(NCCc2c[nH+]cn2C)[nH+]1 ZINC000543398951 333871260 /nfs/dbraw/zinc/87/12/60/333871260.db2.gz WXFILKFTIQJORC-UHFFFAOYSA-N 2 2 261.333 0.056 20 0 CCADLP O=C(C[NH2+]C1CC1)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000573117016 334910141 /nfs/dbraw/zinc/91/01/41/334910141.db2.gz BKAFKLISLZIWMJ-ZIAGYGMSSA-N 2 2 281.400 0.498 20 0 CCADLP [NH3+]C[C@@H]1CN(Cc2[nH+]ccn2CC(F)(F)F)CCCO1 ZINC000573210098 334918018 /nfs/dbraw/zinc/91/80/18/334918018.db2.gz BJFUSBXZGGFXEQ-SNVBAGLBSA-N 2 2 292.305 0.995 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000576531244 335216354 /nfs/dbraw/zinc/21/63/54/335216354.db2.gz WCCFSLVELDZMNF-CYBMUJFWSA-N 2 2 285.432 0.537 20 0 CCADLP COc1ccc(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c(OC)n1 ZINC000576578018 335221128 /nfs/dbraw/zinc/22/11/28/335221128.db2.gz ANCCJDATQQXHBC-CYBMUJFWSA-N 2 2 295.383 0.644 20 0 CCADLP COc1ccc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c(OC)n1 ZINC000576578018 335221129 /nfs/dbraw/zinc/22/11/29/335221129.db2.gz ANCCJDATQQXHBC-CYBMUJFWSA-N 2 2 295.383 0.644 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@H](CO)CC(F)F)C1CC1 ZINC000576636804 335228895 /nfs/dbraw/zinc/22/88/95/335228895.db2.gz LGSNZJIPLLEJJM-WPRPVWTQSA-N 2 2 252.305 0.047 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H](CO)CC(F)F)C1CC1 ZINC000576636804 335228897 /nfs/dbraw/zinc/22/88/97/335228897.db2.gz LGSNZJIPLLEJJM-WPRPVWTQSA-N 2 2 252.305 0.047 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000576928793 335264920 /nfs/dbraw/zinc/26/49/20/335264920.db2.gz QFXSPYJSUMSIQJ-QWHCGFSZSA-N 2 2 269.389 0.042 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000576928793 335264921 /nfs/dbraw/zinc/26/49/21/335264921.db2.gz QFXSPYJSUMSIQJ-QWHCGFSZSA-N 2 2 269.389 0.042 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000576928793 335264923 /nfs/dbraw/zinc/26/49/23/335264923.db2.gz QFXSPYJSUMSIQJ-QWHCGFSZSA-N 2 2 269.389 0.042 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000576928793 335264925 /nfs/dbraw/zinc/26/49/25/335264925.db2.gz QFXSPYJSUMSIQJ-QWHCGFSZSA-N 2 2 269.389 0.042 20 0 CCADLP C[N@@H+]1CCC[C@H](CCNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000576948606 335268309 /nfs/dbraw/zinc/26/83/09/335268309.db2.gz FZNOQLWMTOCHJS-CQSZACIVSA-N 2 2 298.431 0.350 20 0 CCADLP C[N@H+]1CCC[C@H](CCNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000576948606 335268310 /nfs/dbraw/zinc/26/83/10/335268310.db2.gz FZNOQLWMTOCHJS-CQSZACIVSA-N 2 2 298.431 0.350 20 0 CCADLP CCO[C@H]1C[C@]([NH3+])(C(=O)NCc2[nH]c[nH+]c2C)C1(C)C ZINC000379979832 335285728 /nfs/dbraw/zinc/28/57/28/335285728.db2.gz WASZOIFBNGEDQR-FZMZJTMJSA-N 2 2 280.372 0.867 20 0 CCADLP Cc1ccc([C@H](C[NH2+]CCC(=O)NC(N)=O)[NH+](C)C)cc1 ZINC000577097294 335299635 /nfs/dbraw/zinc/29/96/35/335299635.db2.gz BLWMHUHHTRJITK-ZDUSSCGKSA-N 2 2 292.383 0.772 20 0 CCADLP CN(C(=O)c1ccc(-n2cc[nH+]c2)nn1)C1CC([NH3+])C1 ZINC000577177355 335316755 /nfs/dbraw/zinc/31/67/55/335316755.db2.gz VIMDYQUJLIPXNP-UHFFFAOYSA-N 2 2 272.312 0.224 20 0 CCADLP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000577215831 335324069 /nfs/dbraw/zinc/32/40/69/335324069.db2.gz ULQSLSWBHQRYFF-CQSZACIVSA-N 3 2 266.389 0.626 20 0 CCADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC([NH+](C)C)C3)nc[nH+]2)C1 ZINC000577469243 335355570 /nfs/dbraw/zinc/35/55/70/335355570.db2.gz NBQBFYBLWSQRBY-NWDGAFQWSA-N 2 2 291.399 0.434 20 0 CCADLP [NH3+][C@H](C(=O)NC[C@H]1C[NH2+]CCCO1)c1c(F)cccc1F ZINC000578236241 335590084 /nfs/dbraw/zinc/59/00/84/335590084.db2.gz FSUZBFAECZFISR-RNCFNFMXSA-N 2 2 299.321 0.459 20 0 CCADLP C[C@H](CCC[NH3+])NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000579110053 335710421 /nfs/dbraw/zinc/71/04/21/335710421.db2.gz NQYNPCABONBCFT-SNVBAGLBSA-N 2 2 274.328 0.520 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)N(C)CCC[NH3+] ZINC000579142210 335716046 /nfs/dbraw/zinc/71/60/46/335716046.db2.gz GWFOPFQYFUHQAW-UHFFFAOYSA-N 2 2 265.361 0.638 20 0 CCADLP C[NH+](C)C(C)(C)CNC(=O)[C@H]([NH3+])c1cscn1 ZINC000579590417 335815473 /nfs/dbraw/zinc/81/54/73/335815473.db2.gz GVMOZGWZSYTZFT-SECBINFHSA-N 2 2 256.375 0.599 20 0 CCADLP C[C@@H](C(=O)NCC[N@@H+]1CCCOCC1)[NH+]1CC(C)C1 ZINC000581080019 336005761 /nfs/dbraw/zinc/00/57/61/336005761.db2.gz JGUOISFWPJKWEO-ZDUSSCGKSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H](C(=O)NCC[N@H+]1CCCOCC1)[NH+]1CC(C)C1 ZINC000581080019 336005763 /nfs/dbraw/zinc/00/57/63/336005763.db2.gz JGUOISFWPJKWEO-ZDUSSCGKSA-N 2 2 269.389 0.165 20 0 CCADLP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)NC1CCOCC1 ZINC000581311193 336045943 /nfs/dbraw/zinc/04/59/43/336045943.db2.gz NBJNIRRNDQWJNC-OAHLLOKOSA-N 2 2 281.400 0.357 20 0 CCADLP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)NC1CCOCC1 ZINC000581311193 336045944 /nfs/dbraw/zinc/04/59/44/336045944.db2.gz NBJNIRRNDQWJNC-OAHLLOKOSA-N 2 2 281.400 0.357 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000581357600 336059856 /nfs/dbraw/zinc/05/98/56/336059856.db2.gz NECOAMSPQWKZQD-CQSZACIVSA-N 2 2 286.379 0.934 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCC1=CC[NH+](C)CC1 ZINC000581361802 336060700 /nfs/dbraw/zinc/06/07/00/336060700.db2.gz SKSIJYCEFGXIBC-CYBMUJFWSA-N 2 2 296.415 0.268 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCC1=CC[NH+](C)CC1 ZINC000581361802 336060702 /nfs/dbraw/zinc/06/07/02/336060702.db2.gz SKSIJYCEFGXIBC-CYBMUJFWSA-N 2 2 296.415 0.268 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)NCC1=CC[N@H+](C)CC1 ZINC000581361802 336060703 /nfs/dbraw/zinc/06/07/03/336060703.db2.gz SKSIJYCEFGXIBC-CYBMUJFWSA-N 2 2 296.415 0.268 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000581361802 336060705 /nfs/dbraw/zinc/06/07/05/336060705.db2.gz SKSIJYCEFGXIBC-CYBMUJFWSA-N 2 2 296.415 0.268 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000581496619 336090001 /nfs/dbraw/zinc/09/00/01/336090001.db2.gz RAOHPJVSJGILFV-ZDUSSCGKSA-N 2 2 294.399 0.632 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000581496619 336090003 /nfs/dbraw/zinc/09/00/03/336090003.db2.gz RAOHPJVSJGILFV-ZDUSSCGKSA-N 2 2 294.399 0.632 20 0 CCADLP C[C@H]([C@H](C)NC(=O)NCC1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000581537679 336096744 /nfs/dbraw/zinc/09/67/44/336096744.db2.gz AGOFZPMYTCJJGM-QWHCGFSZSA-N 2 2 298.431 0.394 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCc2ccc(O)c(F)c2)[C@H](C[NH3+])C1 ZINC000581873964 336156131 /nfs/dbraw/zinc/15/61/31/336156131.db2.gz WEDZWRAMSWBLCB-LLVKDONJSA-N 2 2 296.346 0.316 20 0 CCADLP C[N@H+]1CCN(C(=O)NCc2ccc(O)c(F)c2)[C@H](C[NH3+])C1 ZINC000581873964 336156133 /nfs/dbraw/zinc/15/61/33/336156133.db2.gz WEDZWRAMSWBLCB-LLVKDONJSA-N 2 2 296.346 0.316 20 0 CCADLP C[C@H](C(=O)N1CCCCC1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000385880311 336159184 /nfs/dbraw/zinc/15/91/84/336159184.db2.gz QDNXPBOABJOWBZ-CABCVRRESA-N 2 2 294.443 0.367 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)[C@H]([NH3+])c2cscn2)CC1 ZINC000582000357 336188223 /nfs/dbraw/zinc/18/82/23/336188223.db2.gz JGYHGDAQVVDFPT-LLVKDONJSA-N 2 2 268.386 0.696 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000582006077 336189941 /nfs/dbraw/zinc/18/99/41/336189941.db2.gz XZQKKLGOKPJGDS-QWHCGFSZSA-N 2 2 292.383 0.282 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000582006077 336189943 /nfs/dbraw/zinc/18/99/43/336189943.db2.gz XZQKKLGOKPJGDS-QWHCGFSZSA-N 2 2 292.383 0.282 20 0 CCADLP CC(C)[C@@H](C[NH+](C)C)[NH2+]C[C@H](O)Cn1cccn1 ZINC000049203986 519793489 /nfs/dbraw/zinc/79/34/89/519793489.db2.gz WNPUMUKBJOFKMC-QWHCGFSZSA-N 2 2 254.378 0.420 20 0 CCADLP C[C@@H](C[NH3+])CNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000418462733 533761043 /nfs/dbraw/zinc/76/10/43/533761043.db2.gz BRNHGMKZFNXNCI-LBPRGKRZSA-N 2 2 277.372 0.508 20 0 CCADLP C[C@@H](C[NH3+])CNC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000417811923 533769036 /nfs/dbraw/zinc/76/90/36/533769036.db2.gz KHYIFRNXEVTGHG-CPCISQLKSA-N 2 2 257.284 0.676 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ncc[nH]1 ZINC000428233074 545094726 /nfs/dbraw/zinc/09/47/26/545094726.db2.gz XISNOMOIBFRFFC-NWDGAFQWSA-N 2 2 279.388 0.648 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ncc[nH]1 ZINC000428233074 545094725 /nfs/dbraw/zinc/09/47/25/545094725.db2.gz XISNOMOIBFRFFC-NWDGAFQWSA-N 2 2 279.388 0.648 20 0 CCADLP C[C@H]1CN(C(=O)[C@H]2CCC[NH+]2C2CC2)CC[N@@H+]1CCO ZINC000427209929 533868614 /nfs/dbraw/zinc/86/86/14/533868614.db2.gz AHVVVKNLRJXYGM-GXTWGEPZSA-N 2 2 281.400 0.138 20 0 CCADLP C[C@H]1CN(C(=O)[C@H]2CCC[NH+]2C2CC2)CC[N@H+]1CCO ZINC000427209929 533868625 /nfs/dbraw/zinc/86/86/25/533868625.db2.gz AHVVVKNLRJXYGM-GXTWGEPZSA-N 2 2 281.400 0.138 20 0 CCADLP C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC[NH+]1CCO ZINC000427209929 533868633 /nfs/dbraw/zinc/86/86/33/533868633.db2.gz AHVVVKNLRJXYGM-GXTWGEPZSA-N 2 2 281.400 0.138 20 0 CCADLP C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CC[NH+]1CCO ZINC000427209929 533868639 /nfs/dbraw/zinc/86/86/39/533868639.db2.gz AHVVVKNLRJXYGM-GXTWGEPZSA-N 2 2 281.400 0.138 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](C)C1 ZINC000341783045 535635846 /nfs/dbraw/zinc/63/58/46/535635846.db2.gz UOIKXZFCAMJMKF-KGLIPLIRSA-N 2 2 283.416 0.507 20 0 CCADLP COC(=O)c1coc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1 ZINC000358303441 534315646 /nfs/dbraw/zinc/31/56/46/534315646.db2.gz SZTZXUQJEYFKOP-CYBMUJFWSA-N 2 2 268.313 0.222 20 0 CCADLP COC(=O)c1coc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000358303441 534315648 /nfs/dbraw/zinc/31/56/48/534315648.db2.gz SZTZXUQJEYFKOP-CYBMUJFWSA-N 2 2 268.313 0.222 20 0 CCADLP C[C@@H]1CC(C)(C)C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000335196833 519099747 /nfs/dbraw/zinc/09/97/47/519099747.db2.gz SSDLCDZDGYJLNG-GFCCVEGCSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@@H]1CC(C)(C)C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000335196833 519099749 /nfs/dbraw/zinc/09/97/49/519099749.db2.gz SSDLCDZDGYJLNG-GFCCVEGCSA-N 2 2 253.390 0.881 20 0 CCADLP Cc1nc(N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000450798807 534434458 /nfs/dbraw/zinc/43/44/58/534434458.db2.gz VTYMBTKJSKVRAK-PHIMTYICSA-N 2 2 294.403 0.137 20 0 CCADLP Cc1nc(N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000450798807 534434467 /nfs/dbraw/zinc/43/44/67/534434467.db2.gz VTYMBTKJSKVRAK-PHIMTYICSA-N 2 2 294.403 0.137 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000163825928 519736615 /nfs/dbraw/zinc/73/66/15/519736615.db2.gz AEBQHRUHHDFUEK-NEPJUHHUSA-N 2 2 284.404 0.385 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000163825928 519736616 /nfs/dbraw/zinc/73/66/16/519736616.db2.gz AEBQHRUHHDFUEK-NEPJUHHUSA-N 2 2 284.404 0.385 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163911921 519885184 /nfs/dbraw/zinc/88/51/84/519885184.db2.gz ZDSGFBYUEPZEMO-WDEREUQCSA-N 2 2 270.377 0.139 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163911921 519885185 /nfs/dbraw/zinc/88/51/85/519885185.db2.gz ZDSGFBYUEPZEMO-WDEREUQCSA-N 2 2 270.377 0.139 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150841581 521741662 /nfs/dbraw/zinc/74/16/62/521741662.db2.gz FASQTWQPPSDOOD-CHWSQXEVSA-N 2 2 296.415 0.638 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150841581 521741663 /nfs/dbraw/zinc/74/16/63/521741663.db2.gz FASQTWQPPSDOOD-CHWSQXEVSA-N 2 2 296.415 0.638 20 0 CCADLP C[NH+](C)CCNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000366105983 521782339 /nfs/dbraw/zinc/78/23/39/521782339.db2.gz NXTAFUMIQUFRRA-VIFPVBQESA-N 2 2 251.334 0.128 20 0 CCADLP C[NH+](C)CCNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000366105983 521782346 /nfs/dbraw/zinc/78/23/46/521782346.db2.gz NXTAFUMIQUFRRA-VIFPVBQESA-N 2 2 251.334 0.128 20 0 CCADLP COC(=O)c1cn(CC[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)nn1 ZINC000341253906 522323312 /nfs/dbraw/zinc/32/33/12/522323312.db2.gz NKMXYUCDVZOSJA-MNOVXSKESA-N 2 2 293.371 0.280 20 0 CCADLP COC(=O)c1cn(CC[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)nn1 ZINC000341253906 522323324 /nfs/dbraw/zinc/32/33/24/522323324.db2.gz NKMXYUCDVZOSJA-MNOVXSKESA-N 2 2 293.371 0.280 20 0 CCADLP COC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(C)o1 ZINC000184636876 522346579 /nfs/dbraw/zinc/34/65/79/522346579.db2.gz DMVDCYSAGUZOTM-CYBMUJFWSA-N 2 2 295.383 0.639 20 0 CCADLP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000423749866 534708612 /nfs/dbraw/zinc/70/86/12/534708612.db2.gz CORLVFNKXRSSNL-VHDGCEQUSA-N 2 2 295.427 0.873 20 0 CCADLP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000423749866 534708617 /nfs/dbraw/zinc/70/86/17/534708617.db2.gz CORLVFNKXRSSNL-VHDGCEQUSA-N 2 2 295.427 0.873 20 0 CCADLP COCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CCn2cccn2)C1 ZINC000354086118 523868100 /nfs/dbraw/zinc/86/81/00/523868100.db2.gz MWHQBEJUIPAKFS-UONOGXRCSA-N 2 2 266.389 0.972 20 0 CCADLP COCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CCn2cccn2)C1 ZINC000354086118 523868106 /nfs/dbraw/zinc/86/81/06/523868106.db2.gz MWHQBEJUIPAKFS-UONOGXRCSA-N 2 2 266.389 0.972 20 0 CCADLP C[NH+](C)C1(CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)CCCC1 ZINC000262984898 524036038 /nfs/dbraw/zinc/03/60/38/524036038.db2.gz NCRNENORHVBGKW-SNVBAGLBSA-N 2 2 275.343 0.974 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000061611652 524628681 /nfs/dbraw/zinc/62/86/81/524628681.db2.gz MKNHUBQMXCNBJS-DZGCQCFKSA-N 2 2 291.395 0.566 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000156534318 524849039 /nfs/dbraw/zinc/84/90/39/524849039.db2.gz NOWOAISSMZKQIW-STQMWFEESA-N 2 2 276.384 0.709 20 0 CCADLP Cc1cc[nH+]c(N2CC[NH+](CCC(=O)NC(N)=O)CC2)c1 ZINC000164041372 525669305 /nfs/dbraw/zinc/66/93/05/525669305.db2.gz LNXWFRAADUGHIM-UHFFFAOYSA-N 2 2 291.355 0.097 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366558903 526072202 /nfs/dbraw/zinc/07/22/02/526072202.db2.gz MHEIRXKTDRDEGV-FMKPAKJESA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366558903 526072212 /nfs/dbraw/zinc/07/22/12/526072212.db2.gz MHEIRXKTDRDEGV-FMKPAKJESA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366558903 526072222 /nfs/dbraw/zinc/07/22/22/526072222.db2.gz MHEIRXKTDRDEGV-FMKPAKJESA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366558903 526072233 /nfs/dbraw/zinc/07/22/33/526072233.db2.gz MHEIRXKTDRDEGV-FMKPAKJESA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1c1nc[nH+]c2c1OCCN2 ZINC000665720559 545105577 /nfs/dbraw/zinc/10/55/77/545105577.db2.gz CIWKPPKCXCPPDR-GHMZBOCLSA-N 2 2 293.371 0.172 20 0 CCADLP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1c1nc[nH+]c2c1OCCN2 ZINC000665720559 545105578 /nfs/dbraw/zinc/10/55/78/545105578.db2.gz CIWKPPKCXCPPDR-GHMZBOCLSA-N 2 2 293.371 0.172 20 0 CCADLP Cc1ncc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000665977169 545110542 /nfs/dbraw/zinc/11/05/42/545110542.db2.gz FDVJDRAJOBDYFG-UHFFFAOYSA-N 2 2 294.403 0.790 20 0 CCADLP Cc1ncc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cn1 ZINC000665977169 545110543 /nfs/dbraw/zinc/11/05/43/545110543.db2.gz FDVJDRAJOBDYFG-UHFFFAOYSA-N 2 2 294.403 0.790 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cccnn1 ZINC000666319673 545119955 /nfs/dbraw/zinc/11/99/55/545119955.db2.gz CHFNWSNHMQYJAM-UHFFFAOYSA-N 2 2 280.376 0.482 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cccnn1 ZINC000666319673 545119956 /nfs/dbraw/zinc/11/99/56/545119956.db2.gz CHFNWSNHMQYJAM-UHFFFAOYSA-N 2 2 280.376 0.482 20 0 CCADLP O[C@@H]1CCC[C@H]1[NH+]1CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000667595865 545150546 /nfs/dbraw/zinc/15/05/46/545150546.db2.gz SJMRNQGSDQQDIY-HUUCEWRRSA-N 2 2 290.411 0.860 20 0 CCADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)n1C ZINC000667617277 545151591 /nfs/dbraw/zinc/15/15/91/545151591.db2.gz MYUFSZSDQOHDNV-LLVKDONJSA-N 2 2 286.401 0.229 20 0 CCADLP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCCn1cc[nH+]c1 ZINC000668042684 545162188 /nfs/dbraw/zinc/16/21/88/545162188.db2.gz JHHYGEAOGATBEM-UONOGXRCSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CCCn1cc[nH+]c1 ZINC000668042684 545162189 /nfs/dbraw/zinc/16/21/89/545162189.db2.gz JHHYGEAOGATBEM-UONOGXRCSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1Cc1c[nH+]c2n1CCC2 ZINC000668188777 545166461 /nfs/dbraw/zinc/16/64/61/545166461.db2.gz OIQVOEQENYKNQH-TZMCWYRMSA-N 2 2 278.400 0.716 20 0 CCADLP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1Cc1c[nH+]c2n1CCC2 ZINC000668188777 545166462 /nfs/dbraw/zinc/16/64/62/545166462.db2.gz OIQVOEQENYKNQH-TZMCWYRMSA-N 2 2 278.400 0.716 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)n1C ZINC000668453923 545178247 /nfs/dbraw/zinc/17/82/47/545178247.db2.gz ROJHOVYRHSTBMP-GFCCVEGCSA-N 2 2 289.387 0.600 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)n1C ZINC000668453923 545178248 /nfs/dbraw/zinc/17/82/48/545178248.db2.gz ROJHOVYRHSTBMP-GFCCVEGCSA-N 2 2 289.387 0.600 20 0 CCADLP C[C@H]1C[NH+](Cc2c[nH+]c(N(C)C)n2C)C[C@H](C)C1O ZINC000668553732 545181595 /nfs/dbraw/zinc/18/15/95/545181595.db2.gz HFTNWOZMHNRNOU-QWRGUYRKSA-N 2 2 266.389 0.935 20 0 CCADLP CN(C)C(=O)CN(CC[NH+](C)C)Cc1c[nH+]c2n1CCC2 ZINC000668557349 545181719 /nfs/dbraw/zinc/18/17/19/545181719.db2.gz INVPLRJVCJJNJX-UHFFFAOYSA-N 2 2 293.415 0.281 20 0 CCADLP CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000668588657 545183215 /nfs/dbraw/zinc/18/32/15/545183215.db2.gz NJHKKZPEPZAKPC-UKRRQHHQSA-N 2 2 288.395 0.998 20 0 CCADLP CC1(C)C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CO1 ZINC000417907026 527741355 /nfs/dbraw/zinc/74/13/55/527741355.db2.gz GLFHSIXCLZQXJI-RYUDHWBXSA-N 2 2 269.389 0.483 20 0 CCADLP CC1(C)C[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CO1 ZINC000417907026 527741363 /nfs/dbraw/zinc/74/13/63/527741363.db2.gz GLFHSIXCLZQXJI-RYUDHWBXSA-N 2 2 269.389 0.483 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428040239 527750463 /nfs/dbraw/zinc/75/04/63/527750463.db2.gz VJPBKZNTANJGIK-LSDHHAIUSA-N 2 2 297.443 0.849 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428040239 527750468 /nfs/dbraw/zinc/75/04/68/527750468.db2.gz VJPBKZNTANJGIK-LSDHHAIUSA-N 2 2 297.443 0.849 20 0 CCADLP CCn1c[nH+]cc1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668738459 545189573 /nfs/dbraw/zinc/18/95/73/545189573.db2.gz DEPJSUKGSDNELI-OAHLLOKOSA-N 2 2 278.400 0.934 20 0 CCADLP CCn1c[nH+]cc1CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668738459 545189574 /nfs/dbraw/zinc/18/95/74/545189574.db2.gz DEPJSUKGSDNELI-OAHLLOKOSA-N 2 2 278.400 0.934 20 0 CCADLP O[C@@H]1CC[N@@H+](C2CCN(Cc3c[nH+]c4n3CCC4)CC2)C1 ZINC000668738791 545189406 /nfs/dbraw/zinc/18/94/06/545189406.db2.gz GOYIZLUFMUURJO-OAHLLOKOSA-N 2 2 290.411 0.860 20 0 CCADLP O[C@@H]1CC[N@H+](C2CCN(Cc3c[nH+]c4n3CCC4)CC2)C1 ZINC000668738791 545189407 /nfs/dbraw/zinc/18/94/07/545189407.db2.gz GOYIZLUFMUURJO-OAHLLOKOSA-N 2 2 290.411 0.860 20 0 CCADLP CCNC(=O)N1CC[C@H]([NH2+][C@@H]2C[N@H+](CC)C[C@@H]2C)C1 ZINC000358283167 528156380 /nfs/dbraw/zinc/15/63/80/528156380.db2.gz CVKGHCFIHFMGCF-RWMBFGLXSA-N 2 2 268.405 0.720 20 0 CCADLP CCNC(=O)N1CC[C@H]([NH2+][C@@H]2C[N@@H+](CC)C[C@@H]2C)C1 ZINC000358283167 528156383 /nfs/dbraw/zinc/15/63/83/528156383.db2.gz CVKGHCFIHFMGCF-RWMBFGLXSA-N 2 2 268.405 0.720 20 0 CCADLP CCC[C@H]([NH3+])C(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000423870078 528162655 /nfs/dbraw/zinc/16/26/55/528162655.db2.gz ONCLLROFHNLCRO-KGLIPLIRSA-N 2 2 283.416 0.683 20 0 CCADLP CCC[C@H]([NH3+])C(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000423870078 528162658 /nfs/dbraw/zinc/16/26/58/528162658.db2.gz ONCLLROFHNLCRO-KGLIPLIRSA-N 2 2 283.416 0.683 20 0 CCADLP O=C(NCC[NH2+]C1CC1)NCc1ccn2cc[nH+]c2c1 ZINC000669533975 545213299 /nfs/dbraw/zinc/21/32/99/545213299.db2.gz WLSGRPGKWQOTRO-UHFFFAOYSA-N 2 2 273.340 0.886 20 0 CCADLP C[C@H](NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@H]1C[N@H+](C)CCO1 ZINC000669538571 545213518 /nfs/dbraw/zinc/21/35/18/545213518.db2.gz XNKNVNRXGKPTNC-FQUUOJAGSA-N 2 2 296.415 0.241 20 0 CCADLP C[C@H](NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@H]1C[N@@H+](C)CCO1 ZINC000669538571 545213519 /nfs/dbraw/zinc/21/35/19/545213519.db2.gz XNKNVNRXGKPTNC-FQUUOJAGSA-N 2 2 296.415 0.241 20 0 CCADLP [NH3+][C@@H](CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1CC1 ZINC000669542798 545214016 /nfs/dbraw/zinc/21/40/16/545214016.db2.gz IAVKQRHUDOGTBA-STQMWFEESA-N 2 2 289.383 0.697 20 0 CCADLP [NH3+]C[C@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CC1 ZINC000669542851 545214106 /nfs/dbraw/zinc/21/41/06/545214106.db2.gz NUYLKNHVIHXMHP-OLZOCXBDSA-N 2 2 289.383 0.697 20 0 CCADLP CC(C)C[C@@H](C[NH3+])NC(=O)NCCc1cn(C)c[nH+]1 ZINC000418273536 528301640 /nfs/dbraw/zinc/30/16/40/528301640.db2.gz BJXCLIRKEBNRKN-LBPRGKRZSA-N 2 2 267.377 0.635 20 0 CCADLP C[C@H]1C[N@@H+](CCN2CC[NH+](C(C)(C)CO)CC2)CCO1 ZINC000669691347 545219031 /nfs/dbraw/zinc/21/90/31/545219031.db2.gz VQHZSNJWDKLKTG-AWEZNQCLSA-N 2 2 285.432 0.096 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000418221409 528408473 /nfs/dbraw/zinc/40/84/73/528408473.db2.gz SUPBNUQEYDYIAH-DGCLKSJQSA-N 2 2 284.404 0.147 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000418221409 528408479 /nfs/dbraw/zinc/40/84/79/528408479.db2.gz SUPBNUQEYDYIAH-DGCLKSJQSA-N 2 2 284.404 0.147 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000423580460 528477481 /nfs/dbraw/zinc/47/74/81/528477481.db2.gz XTNVZCVEZRNESU-CHWSQXEVSA-N 2 2 269.389 0.213 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000423580460 528477486 /nfs/dbraw/zinc/47/74/86/528477486.db2.gz XTNVZCVEZRNESU-CHWSQXEVSA-N 2 2 269.389 0.213 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000423580464 528482379 /nfs/dbraw/zinc/48/23/79/528482379.db2.gz XTNVZCVEZRNESU-OLZOCXBDSA-N 2 2 269.389 0.213 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000423580464 528482384 /nfs/dbraw/zinc/48/23/84/528482384.db2.gz XTNVZCVEZRNESU-OLZOCXBDSA-N 2 2 269.389 0.213 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000418244235 528513450 /nfs/dbraw/zinc/51/34/50/528513450.db2.gz SEWOOPNXSWKONE-GHMZBOCLSA-N 2 2 279.388 0.940 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000418244235 528513454 /nfs/dbraw/zinc/51/34/54/528513454.db2.gz SEWOOPNXSWKONE-GHMZBOCLSA-N 2 2 279.388 0.940 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000449122639 528554197 /nfs/dbraw/zinc/55/41/97/528554197.db2.gz AAOMRHHHXRBOQB-YPMHNXCESA-N 2 2 269.389 0.354 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000449122639 528554200 /nfs/dbraw/zinc/55/42/00/528554200.db2.gz AAOMRHHHXRBOQB-YPMHNXCESA-N 2 2 269.389 0.354 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000449087783 528556519 /nfs/dbraw/zinc/55/65/19/528556519.db2.gz WQZUABQTZHJWBZ-VXGBXAGGSA-N 2 2 257.378 0.211 20 0 CCADLP CCOCC[N@@H+]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C[C@H]1C ZINC000493624720 528728103 /nfs/dbraw/zinc/72/81/03/528728103.db2.gz HUGUKLTWELBQKF-MUBLQREKSA-N 2 2 292.383 0.992 20 0 CCADLP CCOCC[N@H+]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C[C@H]1C ZINC000493624720 528728106 /nfs/dbraw/zinc/72/81/06/528728106.db2.gz HUGUKLTWELBQKF-MUBLQREKSA-N 2 2 292.383 0.992 20 0 CCADLP CCOC(=O)C[N@@H+]1CCCN(C(=O)CC[C@@H](C)[NH3+])CC1 ZINC000423732803 528807235 /nfs/dbraw/zinc/80/72/35/528807235.db2.gz SZARAQZFIXZGSC-GFCCVEGCSA-N 2 2 285.388 0.211 20 0 CCADLP CCOC(=O)C[N@H+]1CCCN(C(=O)CC[C@@H](C)[NH3+])CC1 ZINC000423732803 528807238 /nfs/dbraw/zinc/80/72/38/528807238.db2.gz SZARAQZFIXZGSC-GFCCVEGCSA-N 2 2 285.388 0.211 20 0 CCADLP O=C1NC(=O)C2(CCC([NH2+][C@@H]3CC[N@@H+](C4CC4)C3)CC2)N1 ZINC000671730136 545258883 /nfs/dbraw/zinc/25/88/83/545258883.db2.gz VLNKXHFMIXVJEZ-LOIXOFCESA-N 2 2 292.383 0.334 20 0 CCADLP O=C1NC(=O)C2(CCC([NH2+][C@@H]3CC[N@H+](C4CC4)C3)CC2)N1 ZINC000671730136 545258884 /nfs/dbraw/zinc/25/88/84/545258884.db2.gz VLNKXHFMIXVJEZ-LOIXOFCESA-N 2 2 292.383 0.334 20 0 CCADLP CC(C)[N@H+](C[C@@H](O)C[NH+](C)C1CC1)C[C@@H]1CCC(=O)N1 ZINC000412087910 528919567 /nfs/dbraw/zinc/91/95/67/528919567.db2.gz SAQYIVLCCFNQKZ-JSGCOSHPSA-N 2 2 283.416 0.431 20 0 CCADLP CC(C)[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)C[C@@H]1CCC(=O)N1 ZINC000412087910 528919571 /nfs/dbraw/zinc/91/95/71/528919571.db2.gz SAQYIVLCCFNQKZ-JSGCOSHPSA-N 2 2 283.416 0.431 20 0 CCADLP CC(C)[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C[C@@H]1CCC(=O)N1 ZINC000412087910 528919573 /nfs/dbraw/zinc/91/95/73/528919573.db2.gz SAQYIVLCCFNQKZ-JSGCOSHPSA-N 2 2 283.416 0.431 20 0 CCADLP CC(C)[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C[C@@H]1CCC(=O)N1 ZINC000412087910 528919575 /nfs/dbraw/zinc/91/95/75/528919575.db2.gz SAQYIVLCCFNQKZ-JSGCOSHPSA-N 2 2 283.416 0.431 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000423738141 528990884 /nfs/dbraw/zinc/99/08/84/528990884.db2.gz FRULHAKLDPTXOD-ZDUSSCGKSA-N 2 2 293.415 0.295 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456219640 528992604 /nfs/dbraw/zinc/99/26/04/528992604.db2.gz UUQQATNMGFANGQ-QLFBSQMISA-N 2 2 295.427 0.840 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456219640 528992611 /nfs/dbraw/zinc/99/26/11/528992611.db2.gz UUQQATNMGFANGQ-QLFBSQMISA-N 2 2 295.427 0.840 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456219640 528992617 /nfs/dbraw/zinc/99/26/17/528992617.db2.gz UUQQATNMGFANGQ-QLFBSQMISA-N 2 2 295.427 0.840 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456219640 528992622 /nfs/dbraw/zinc/99/26/22/528992622.db2.gz UUQQATNMGFANGQ-QLFBSQMISA-N 2 2 295.427 0.840 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C2CC2)C2COC2)CC1 ZINC000451132063 528994607 /nfs/dbraw/zinc/99/46/07/528994607.db2.gz UXWZTCWFQFPHCB-UHFFFAOYSA-N 2 2 295.427 0.839 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C2CC2)C2COC2)CC1 ZINC000451132063 528994613 /nfs/dbraw/zinc/99/46/13/528994613.db2.gz UXWZTCWFQFPHCB-UHFFFAOYSA-N 2 2 295.427 0.839 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000418212784 529060163 /nfs/dbraw/zinc/06/01/63/529060163.db2.gz LYHQSXWTUDITRB-CHWSQXEVSA-N 2 2 284.404 0.132 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000418212784 529060167 /nfs/dbraw/zinc/06/01/67/529060167.db2.gz LYHQSXWTUDITRB-CHWSQXEVSA-N 2 2 284.404 0.132 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](SC)C2)CC1 ZINC000451318118 529132333 /nfs/dbraw/zinc/13/23/33/529132333.db2.gz DXJKGRDFFIQDDO-QWHCGFSZSA-N 2 2 285.457 0.976 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](SC)C2)CC1 ZINC000451318118 529132335 /nfs/dbraw/zinc/13/23/35/529132335.db2.gz DXJKGRDFFIQDDO-QWHCGFSZSA-N 2 2 285.457 0.976 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424335869 529135698 /nfs/dbraw/zinc/13/56/98/529135698.db2.gz POKCHZKYIUAJHZ-GMTAPVOTSA-N 2 2 270.377 0.469 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC(Oc3cc[nH+]cc3)C2)C1 ZINC000673658050 545290391 /nfs/dbraw/zinc/29/03/91/545290391.db2.gz MDNIUYLLDBPPGN-ZDUSSCGKSA-N 2 2 277.324 0.002 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CC(Oc3cc[nH+]cc3)C2)C1 ZINC000673658050 545290392 /nfs/dbraw/zinc/29/03/92/545290392.db2.gz MDNIUYLLDBPPGN-ZDUSSCGKSA-N 2 2 277.324 0.002 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)N[C@H](C)CCC[NH3+])CCO1 ZINC000418692227 529293575 /nfs/dbraw/zinc/29/35/75/529293575.db2.gz RUTJVFHQNTVCCE-OLZOCXBDSA-N 2 2 286.420 0.524 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)N[C@H](C)CCC[NH3+])CCO1 ZINC000418692227 529293577 /nfs/dbraw/zinc/29/35/77/529293577.db2.gz RUTJVFHQNTVCCE-OLZOCXBDSA-N 2 2 286.420 0.524 20 0 CCADLP CCC(=O)N[C@H](C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000674000220 545298247 /nfs/dbraw/zinc/29/82/47/545298247.db2.gz CHXSIHAEJHTHNS-GFCCVEGCSA-N 2 2 298.431 0.043 20 0 CCADLP C[C@@H](C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)[NH+](C)C ZINC000674264808 545302193 /nfs/dbraw/zinc/30/21/93/545302193.db2.gz KVIDPOCOFGBLRX-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@@H](C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1)[NH+](C)C ZINC000674287212 545302708 /nfs/dbraw/zinc/30/27/08/545302708.db2.gz DWMBDBVKYGJRDH-NWDGAFQWSA-N 2 2 250.346 0.997 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000356816902 535020864 /nfs/dbraw/zinc/02/08/64/535020864.db2.gz RRVVQWOTKVZQEY-STQMWFEESA-N 2 2 271.405 0.552 20 0 CCADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000356816902 535020870 /nfs/dbraw/zinc/02/08/70/535020870.db2.gz RRVVQWOTKVZQEY-STQMWFEESA-N 2 2 271.405 0.552 20 0 CCADLP CCCC[C@@H](C[NH3+])NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000517234358 535355882 /nfs/dbraw/zinc/35/58/82/535355882.db2.gz COEFGQCEPRISFC-NSHDSACASA-N 2 2 288.355 0.910 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346852779 535490437 /nfs/dbraw/zinc/49/04/37/535490437.db2.gz XJTGGSLQMQGMSY-OAHLLOKOSA-N 3 2 296.459 0.472 20 0 CCADLP C[C@H](NC(=O)N[C@H]1CCC[N@H+](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000676244285 545338231 /nfs/dbraw/zinc/33/82/31/545338231.db2.gz ABRDSPFEOUVHTA-RWMBFGLXSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@H](NC(=O)N[C@H]1CCC[N@@H+](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000676244285 545338232 /nfs/dbraw/zinc/33/82/32/545338232.db2.gz ABRDSPFEOUVHTA-RWMBFGLXSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@H](NC(=O)N[C@H]1CCC[NH+](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000676244285 545338233 /nfs/dbraw/zinc/33/82/33/545338233.db2.gz ABRDSPFEOUVHTA-RWMBFGLXSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@H](NC(=O)N[C@H]1CCC[NH+](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000676244285 545338234 /nfs/dbraw/zinc/33/82/34/545338234.db2.gz ABRDSPFEOUVHTA-RWMBFGLXSA-N 2 2 284.404 0.099 20 0 CCADLP CC[NH+](CC)CCC[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000191801744 535511310 /nfs/dbraw/zinc/51/13/10/535511310.db2.gz LDVRSWMQJJUNMO-UHFFFAOYSA-N 2 2 278.400 0.870 20 0 CCADLP CC[NH+](CC)CCC[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000191801744 535511315 /nfs/dbraw/zinc/51/13/15/535511315.db2.gz LDVRSWMQJJUNMO-UHFFFAOYSA-N 2 2 278.400 0.870 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)[C@H]1C[NH+](C)CCO1 ZINC000676347518 545342244 /nfs/dbraw/zinc/34/22/44/545342244.db2.gz LFQFSQYQHFPQQD-YNEHKIRRSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)[C@H]1C[NH+](C)CCO1 ZINC000676347518 545342245 /nfs/dbraw/zinc/34/22/45/545342245.db2.gz LFQFSQYQHFPQQD-YNEHKIRRSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCCC[NH+]1C)[C@H]1C[N@H+](C)CCO1 ZINC000676347518 545342246 /nfs/dbraw/zinc/34/22/46/545342246.db2.gz LFQFSQYQHFPQQD-YNEHKIRRSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCCC[NH+]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000676347518 545342247 /nfs/dbraw/zinc/34/22/47/545342247.db2.gz LFQFSQYQHFPQQD-YNEHKIRRSA-N 2 2 269.389 0.306 20 0 CCADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CCC[N@H+](C)C(C)C ZINC000422965914 535572134 /nfs/dbraw/zinc/57/21/34/535572134.db2.gz QCKJAWSMMFGUTP-QWHCGFSZSA-N 2 2 271.405 0.600 20 0 CCADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CCC[N@@H+](C)C(C)C ZINC000422965914 535572140 /nfs/dbraw/zinc/57/21/40/535572140.db2.gz QCKJAWSMMFGUTP-QWHCGFSZSA-N 2 2 271.405 0.600 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCCC[N@H+](C)C(C)C ZINC000422965914 535572142 /nfs/dbraw/zinc/57/21/42/535572142.db2.gz QCKJAWSMMFGUTP-QWHCGFSZSA-N 2 2 271.405 0.600 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCCC[N@@H+](C)C(C)C ZINC000422965914 535572145 /nfs/dbraw/zinc/57/21/45/535572145.db2.gz QCKJAWSMMFGUTP-QWHCGFSZSA-N 2 2 271.405 0.600 20 0 CCADLP CC[N@@H+]1CCN(C(=O)C[NH+](C)[C@H]2CCSC2)[C@@H](C)C1 ZINC000341775240 535615800 /nfs/dbraw/zinc/61/58/00/535615800.db2.gz IIWYUZSHRPOYQH-STQMWFEESA-N 2 2 285.457 0.976 20 0 CCADLP CC[N@H+]1CCN(C(=O)C[NH+](C)[C@H]2CCSC2)[C@@H](C)C1 ZINC000341775240 535615804 /nfs/dbraw/zinc/61/58/04/535615804.db2.gz IIWYUZSHRPOYQH-STQMWFEESA-N 2 2 285.457 0.976 20 0 CCADLP CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)[C@@H](C)C1 ZINC000341775240 535615807 /nfs/dbraw/zinc/61/58/07/535615807.db2.gz IIWYUZSHRPOYQH-STQMWFEESA-N 2 2 285.457 0.976 20 0 CCADLP CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)[C@@H](C)C1 ZINC000341775240 535615814 /nfs/dbraw/zinc/61/58/14/535615814.db2.gz IIWYUZSHRPOYQH-STQMWFEESA-N 2 2 285.457 0.976 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](C)C1 ZINC000341783045 535635845 /nfs/dbraw/zinc/63/58/45/535635845.db2.gz UOIKXZFCAMJMKF-KGLIPLIRSA-N 2 2 283.416 0.507 20 0 CCADLP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2c[nH+]c(C)n2C)CC1 ZINC000518218338 535731323 /nfs/dbraw/zinc/73/13/23/535731323.db2.gz HBKQSBOKVFCJAR-ZDUSSCGKSA-N 3 2 279.432 0.844 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)C[C@H]1C ZINC000677195401 545360687 /nfs/dbraw/zinc/36/06/87/545360687.db2.gz UJWXTPYTMXZIRN-ZIAGYGMSSA-N 2 2 282.432 0.175 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)C[C@H]1C ZINC000677195401 545360688 /nfs/dbraw/zinc/36/06/88/545360688.db2.gz UJWXTPYTMXZIRN-ZIAGYGMSSA-N 2 2 282.432 0.175 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250291049 535792202 /nfs/dbraw/zinc/79/22/02/535792202.db2.gz NENQVDHLTROBMS-WSMDXJOWSA-N 2 2 282.388 0.435 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000250291049 535792203 /nfs/dbraw/zinc/79/22/03/535792203.db2.gz NENQVDHLTROBMS-WSMDXJOWSA-N 2 2 282.388 0.435 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000677802749 545372981 /nfs/dbraw/zinc/37/29/81/545372981.db2.gz YYAUWPQGWIEFEE-GFCCVEGCSA-N 2 2 286.401 0.205 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000677802749 545372982 /nfs/dbraw/zinc/37/29/82/545372982.db2.gz YYAUWPQGWIEFEE-GFCCVEGCSA-N 2 2 286.401 0.205 20 0 CCADLP CCn1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cn1 ZINC000252666885 536072158 /nfs/dbraw/zinc/07/21/58/536072158.db2.gz CDQPVEWITWRVOS-KBPBESRZSA-N 2 2 264.373 0.856 20 0 CCADLP CCn1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cn1 ZINC000252666885 536072153 /nfs/dbraw/zinc/07/21/53/536072153.db2.gz CDQPVEWITWRVOS-KBPBESRZSA-N 2 2 264.373 0.856 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000678081127 545383811 /nfs/dbraw/zinc/38/38/11/545383811.db2.gz OEWJRTZXYRCXML-LBPRGKRZSA-N 2 2 277.372 0.324 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000678081127 545383812 /nfs/dbraw/zinc/38/38/12/545383812.db2.gz OEWJRTZXYRCXML-LBPRGKRZSA-N 2 2 277.372 0.324 20 0 CCADLP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000371016331 536109824 /nfs/dbraw/zinc/10/98/24/536109824.db2.gz NKGYQCRFDQMYKT-LLVKDONJSA-N 2 2 264.373 0.902 20 0 CCADLP Cc1[nH+]ccn1CCN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000678631218 545396005 /nfs/dbraw/zinc/39/60/05/545396005.db2.gz ZVTLBWTYVBNORX-CQSZACIVSA-N 2 2 264.373 0.598 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000678631218 545396006 /nfs/dbraw/zinc/39/60/06/545396006.db2.gz ZVTLBWTYVBNORX-CQSZACIVSA-N 2 2 264.373 0.598 20 0 CCADLP CC[N@@H+]1CCN([C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000678718699 545396668 /nfs/dbraw/zinc/39/66/68/545396668.db2.gz MUZYDYKDNHKLTI-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP CC[N@H+]1CCN([C@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000678718699 545396669 /nfs/dbraw/zinc/39/66/69/545396669.db2.gz MUZYDYKDNHKLTI-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP C[NH2+][C@H](C(=O)NCCCn1cc[nH+]c1)c1cnn(C)c1 ZINC000357196471 536381784 /nfs/dbraw/zinc/38/17/84/536381784.db2.gz ZKSRALJMRJYETH-LBPRGKRZSA-N 2 2 276.344 0.084 20 0 CCADLP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@H]1COCC[NH+]1C ZINC000345209198 536406311 /nfs/dbraw/zinc/40/63/11/536406311.db2.gz LAEHCZQRUMGWHQ-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@H]1COCC[NH+]1C ZINC000345209198 536406312 /nfs/dbraw/zinc/40/63/12/536406312.db2.gz LAEHCZQRUMGWHQ-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CN(CC[C@H]1CCCC[NH+]1C)C(=O)[C@H]1COCC[N@@H+]1C ZINC000345209198 536406313 /nfs/dbraw/zinc/40/63/13/536406313.db2.gz LAEHCZQRUMGWHQ-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CN(CC[C@H]1CCCC[NH+]1C)C(=O)[C@H]1COCC[N@H+]1C ZINC000345209198 536406316 /nfs/dbraw/zinc/40/63/16/536406316.db2.gz LAEHCZQRUMGWHQ-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000269239362 536461248 /nfs/dbraw/zinc/46/12/48/536461248.db2.gz ITHUKSOGXVHHJC-WDEREUQCSA-N 2 2 250.346 0.971 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+](Cc2cnn(CCOC)c2)C1 ZINC000347084594 536468313 /nfs/dbraw/zinc/46/83/13/536468313.db2.gz CFRFDFRZXKRTSZ-GFCCVEGCSA-N 2 2 252.362 0.571 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cnn(CCOC)c2)C1 ZINC000347084594 536468317 /nfs/dbraw/zinc/46/83/17/536468317.db2.gz CFRFDFRZXKRTSZ-GFCCVEGCSA-N 2 2 252.362 0.571 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2nc3c(s2)CCC3)C1 ZINC000680815260 545435020 /nfs/dbraw/zinc/43/50/20/545435020.db2.gz MCYKHXORWZZCCI-ZDUSSCGKSA-N 2 2 267.398 0.788 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2nc3c(s2)CCC3)C1 ZINC000680815260 545435021 /nfs/dbraw/zinc/43/50/21/545435021.db2.gz MCYKHXORWZZCCI-ZDUSSCGKSA-N 2 2 267.398 0.788 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cn3cccc(F)c3n2)C1 ZINC000680815623 545435035 /nfs/dbraw/zinc/43/50/35/545435035.db2.gz VFAOCQIDNPVMFV-CQSZACIVSA-N 2 2 278.331 0.630 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cn3cccc(F)c3n2)C1 ZINC000680815623 545435036 /nfs/dbraw/zinc/43/50/36/545435036.db2.gz VFAOCQIDNPVMFV-CQSZACIVSA-N 2 2 278.331 0.630 20 0 CCADLP CC(C)[C@@](C)(O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681189683 545444973 /nfs/dbraw/zinc/44/49/73/545444973.db2.gz WPIRIIUAXXIEAE-CZUORRHYSA-N 2 2 297.443 0.678 20 0 CCADLP CC(C)[C@@](C)(O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681189683 545444974 /nfs/dbraw/zinc/44/49/74/545444974.db2.gz WPIRIIUAXXIEAE-CZUORRHYSA-N 2 2 297.443 0.678 20 0 CCADLP C[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000681654153 545458776 /nfs/dbraw/zinc/45/87/76/545458776.db2.gz AZZJJCGIPCAXEO-NEPJUHHUSA-N 2 2 277.372 0.591 20 0 CCADLP C[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000681654153 545458777 /nfs/dbraw/zinc/45/87/77/545458777.db2.gz AZZJJCGIPCAXEO-NEPJUHHUSA-N 2 2 277.372 0.591 20 0 CCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C1CCSCC1 ZINC000681738938 545460909 /nfs/dbraw/zinc/46/09/09/545460909.db2.gz QCVAKQPBBIBANG-LBPRGKRZSA-N 2 2 285.457 0.882 20 0 CCADLP CC1(C)CN(C(=O)CCCn2cc[nH+]c2)CC[N@@H+]1CCO ZINC000682006588 545469561 /nfs/dbraw/zinc/46/95/61/545469561.db2.gz RKCAOOQRPIILHE-UHFFFAOYSA-N 2 2 294.399 0.578 20 0 CCADLP CC1(C)CN(C(=O)CCCn2cc[nH+]c2)CC[N@H+]1CCO ZINC000682006588 545469562 /nfs/dbraw/zinc/46/95/62/545469562.db2.gz RKCAOOQRPIILHE-UHFFFAOYSA-N 2 2 294.399 0.578 20 0 CCADLP COc1cc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)ccc1C ZINC000683705578 545559665 /nfs/dbraw/zinc/55/96/65/545559665.db2.gz SBMWDGXZNGEPSZ-UHFFFAOYSA-N 2 2 291.395 0.867 20 0 CCADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCCC(=O)N1 ZINC000683931395 545586835 /nfs/dbraw/zinc/58/68/35/545586835.db2.gz DEQFHBXJKFLCBN-LBPRGKRZSA-N 2 2 262.357 0.906 20 0 CCADLP C[C@@H]1NC(=O)N([C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000777651843 581128605 /nfs/dbraw/zinc/12/86/05/581128605.db2.gz GCTKZHRHWQQEBB-CMPLNLGQSA-N 2 2 280.372 0.095 20 0 CCADLP C[C@@H]1NC(=O)N([C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000777651843 581128606 /nfs/dbraw/zinc/12/86/06/581128606.db2.gz GCTKZHRHWQQEBB-CMPLNLGQSA-N 2 2 280.372 0.095 20 0 CCADLP C[C@@H]1OCC[C@@]12C[N@H+](C[C@@H](O)C[NH+]1CCCC1)CCO2 ZINC000791586632 581225162 /nfs/dbraw/zinc/22/51/62/581225162.db2.gz VMMSBEPOFNRPNU-SOUVJXGZSA-N 2 2 284.400 0.323 20 0 CCADLP C[C@@H]1OCC[C@@]12C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)CCO2 ZINC000791586632 581225163 /nfs/dbraw/zinc/22/51/63/581225163.db2.gz VMMSBEPOFNRPNU-SOUVJXGZSA-N 2 2 284.400 0.323 20 0 CCADLP C[C@@H]1CCOCC[N@@H+]1CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783990611 581369574 /nfs/dbraw/zinc/36/95/74/581369574.db2.gz BENSKTUISJLZOY-CHWSQXEVSA-N 2 2 292.383 0.804 20 0 CCADLP C[C@@H]1CCOCC[N@H+]1CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783990611 581369575 /nfs/dbraw/zinc/36/95/75/581369575.db2.gz BENSKTUISJLZOY-CHWSQXEVSA-N 2 2 292.383 0.804 20 0 CCADLP COC[C@@H]1CCC[N@@H+]1CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783991365 581369586 /nfs/dbraw/zinc/36/95/86/581369586.db2.gz VVZRIRMSOGIPAK-OLZOCXBDSA-N 2 2 292.383 0.804 20 0 CCADLP COC[C@@H]1CCC[N@H+]1CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783991365 581369588 /nfs/dbraw/zinc/36/95/88/581369588.db2.gz VVZRIRMSOGIPAK-OLZOCXBDSA-N 2 2 292.383 0.804 20 0 CCADLP C[C@H]1CCOCC[N@@H+]1CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783990613 581370064 /nfs/dbraw/zinc/37/00/64/581370064.db2.gz BENSKTUISJLZOY-QWHCGFSZSA-N 2 2 292.383 0.804 20 0 CCADLP C[C@H]1CCOCC[N@H+]1CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783990613 581370065 /nfs/dbraw/zinc/37/00/65/581370065.db2.gz BENSKTUISJLZOY-QWHCGFSZSA-N 2 2 292.383 0.804 20 0 CCADLP CC[C@]1(C)C[N@H+](C[C@H](O)C[NH+]2CCCC2)CCO1 ZINC000785495639 581410490 /nfs/dbraw/zinc/41/04/90/581410490.db2.gz PJLNLFZYIPOPJW-ZIAGYGMSSA-N 2 2 256.390 0.944 20 0 CCADLP CC[C@]1(C)C[N@@H+](C[C@H](O)C[NH+]2CCCC2)CCO1 ZINC000785495639 581410491 /nfs/dbraw/zinc/41/04/91/581410491.db2.gz PJLNLFZYIPOPJW-ZIAGYGMSSA-N 2 2 256.390 0.944 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(S(N)(=O)=O)cc1 ZINC000094078134 581593372 /nfs/dbraw/zinc/59/33/72/581593372.db2.gz LUMRECKJHSEPRZ-MWLCHTKSSA-N 2 2 269.370 0.347 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(-n2cncn2)nc1 ZINC000756093925 581656801 /nfs/dbraw/zinc/65/68/01/581656801.db2.gz HAPUFBUUCMKESW-YPMHNXCESA-N 2 2 272.356 0.702 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(-n2cncn2)nc1 ZINC000756093925 581656803 /nfs/dbraw/zinc/65/68/03/581656803.db2.gz HAPUFBUUCMKESW-YPMHNXCESA-N 2 2 272.356 0.702 20 0 CCADLP CC[N@H+](CC(=O)N[C@@H](Cn1cc[nH+]c1)C(=O)OC)C1CC1 ZINC000788153728 581738709 /nfs/dbraw/zinc/73/87/09/581738709.db2.gz HVFXVKWKCYYBAG-LBPRGKRZSA-N 2 2 294.355 0.025 20 0 CCADLP CC[N@@H+](CC(=O)N[C@@H](Cn1cc[nH+]c1)C(=O)OC)C1CC1 ZINC000788153728 581738712 /nfs/dbraw/zinc/73/87/12/581738712.db2.gz HVFXVKWKCYYBAG-LBPRGKRZSA-N 2 2 294.355 0.025 20 0 CCADLP O=C1CCCN1[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000732413021 581826678 /nfs/dbraw/zinc/82/66/78/581826678.db2.gz OJQRHOZUWSZLMA-HUUCEWRRSA-N 2 2 295.427 0.530 20 0 CCADLP O=C1CCCN1[C@@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000732413021 581826680 /nfs/dbraw/zinc/82/66/80/581826680.db2.gz OJQRHOZUWSZLMA-HUUCEWRRSA-N 2 2 295.427 0.530 20 0 CCADLP C[N@H+](CC(=O)OCCn1cc[nH+]c1)[C@@H]1CCSC1 ZINC000772051291 581839845 /nfs/dbraw/zinc/83/98/45/581839845.db2.gz ZVIUNMHEOZGAAR-LLVKDONJSA-N 2 2 269.370 0.864 20 0 CCADLP C[N@@H+](CC(=O)OCCn1cc[nH+]c1)[C@@H]1CCSC1 ZINC000772051291 581839848 /nfs/dbraw/zinc/83/98/48/581839848.db2.gz ZVIUNMHEOZGAAR-LLVKDONJSA-N 2 2 269.370 0.864 20 0 CCADLP O=C1CCCN1[C@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000761114003 581888885 /nfs/dbraw/zinc/88/88/85/581888885.db2.gz KSDBSWJHWKECIY-KBPBESRZSA-N 2 2 281.400 0.140 20 0 CCADLP O=C1CCCN1[C@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000761114003 581888889 /nfs/dbraw/zinc/88/88/89/581888889.db2.gz KSDBSWJHWKECIY-KBPBESRZSA-N 2 2 281.400 0.140 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CC(O)(C(C)C)C2)CC1 ZINC000773889789 581946132 /nfs/dbraw/zinc/94/61/32/581946132.db2.gz AODYYMWBSZCRQL-ZDUSSCGKSA-N 2 2 283.416 0.242 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)OC(=O)[C@H]1CCCC[N@@H+]1C ZINC000774278922 581967897 /nfs/dbraw/zinc/96/78/97/581967897.db2.gz CPHPCUPVUWAEKG-CHWSQXEVSA-N 2 2 270.373 0.735 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)OC(=O)[C@H]1CCCC[N@H+]1C ZINC000774278922 581967899 /nfs/dbraw/zinc/96/78/99/581967899.db2.gz CPHPCUPVUWAEKG-CHWSQXEVSA-N 2 2 270.373 0.735 20 0 CCADLP C[NH+](C)C1(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CCC1 ZINC000763002592 581975537 /nfs/dbraw/zinc/97/55/37/581975537.db2.gz RGUYDIKZTYJXDL-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)C2([NH+](C)C)CCC2)CCO1 ZINC000763031678 581978792 /nfs/dbraw/zinc/97/87/92/581978792.db2.gz MRPPIPUVDBNRDE-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)C2([NH+](C)C)CCC2)CCO1 ZINC000763031678 581978794 /nfs/dbraw/zinc/97/87/94/581978794.db2.gz MRPPIPUVDBNRDE-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H](C(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1)[NH+](C)C ZINC000750616269 582053457 /nfs/dbraw/zinc/05/34/57/582053457.db2.gz RQQRAUZHDDCNHQ-MNOVXSKESA-N 2 2 284.429 0.572 20 0 CCADLP C[N@H+]1CC=C(CNC(=S)NCC[NH+]2CCOCC2)CC1 ZINC000776199024 582058074 /nfs/dbraw/zinc/05/80/74/582058074.db2.gz SWYHIBGHIAFFBH-UHFFFAOYSA-N 2 2 298.456 0.045 20 0 CCADLP C[N@@H+]1CC=C(CNC(=S)NCC[NH+]2CCOCC2)CC1 ZINC000776199024 582058076 /nfs/dbraw/zinc/05/80/76/582058076.db2.gz SWYHIBGHIAFFBH-UHFFFAOYSA-N 2 2 298.456 0.045 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=S)NCCC[NH+](C)C)CCO1 ZINC000751014875 582067814 /nfs/dbraw/zinc/06/78/14/582067814.db2.gz NIEVKGGFRIXDLB-GFCCVEGCSA-N 2 2 288.461 0.123 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=S)NCCC[NH+](C)C)CCO1 ZINC000751014875 582067815 /nfs/dbraw/zinc/06/78/15/582067815.db2.gz NIEVKGGFRIXDLB-GFCCVEGCSA-N 2 2 288.461 0.123 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC1CC(C[NH2+]C[C@H]2CCOC2)C1 ZINC000962896875 649907099 /nfs/dbraw/zinc/90/70/99/649907099.db2.gz VWSMNDPHWAMIPO-IYXRBSQSSA-N 2 2 292.383 0.404 20 0 CCADLP Fc1ccc(-c2nn[nH]n2)c(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000822758594 607059098 /nfs/dbraw/zinc/05/90/98/607059098.db2.gz SUWJPYVZILHJNJ-GHMZBOCLSA-N 2 2 288.330 0.657 20 0 CCADLP c1sc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1-c1nn[nH]n1 ZINC000826527062 608858918 /nfs/dbraw/zinc/85/89/18/608858918.db2.gz XQXUJDLIFZPQJY-NXEZZACHSA-N 2 2 276.369 0.579 20 0 CCADLP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000884405286 614116519 /nfs/dbraw/zinc/11/65/19/614116519.db2.gz MFZRXCTUAIMTJD-ZIAGYGMSSA-N 2 2 297.443 0.929 20 0 CCADLP CC(C)[C@H](CNC(=[NH2+])N[C@@H]1C[C@@H]1C)[NH+]1CCOCC1 ZINC000864450012 614208402 /nfs/dbraw/zinc/20/84/02/614208402.db2.gz CKGVWLXZADODKD-XQQFMLRXSA-N 2 2 268.405 0.866 20 0 CCADLP CC(C)[N@H+](C)Cc1cn(CCN2CC[NH+](C)CC2)nn1 ZINC000905056940 614268425 /nfs/dbraw/zinc/26/84/25/614268425.db2.gz MLIPIHIEDGAAQK-UHFFFAOYSA-N 2 2 280.420 0.366 20 0 CCADLP CC(C)[N@@H+](C)Cc1cn(CCN2CC[NH+](C)CC2)nn1 ZINC000905056940 614268428 /nfs/dbraw/zinc/26/84/28/614268428.db2.gz MLIPIHIEDGAAQK-UHFFFAOYSA-N 2 2 280.420 0.366 20 0 CCADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000876730147 613192778 /nfs/dbraw/zinc/19/27/78/613192778.db2.gz DLPFXQMSCFQIMU-PZQWPYDESA-N 2 2 262.357 0.800 20 0 CCADLP C(COC[C@@H]1CCOC1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925567586 613222716 /nfs/dbraw/zinc/22/27/16/613222716.db2.gz PTSCGHYLINVLEP-OLZOCXBDSA-N 2 2 254.374 0.914 20 0 CCADLP C(CN[C@@H]1CC[NH2+]C12CCCC2)C[NH+]1CCOCC1 ZINC000903483091 613225197 /nfs/dbraw/zinc/22/51/97/613225197.db2.gz DELYWAFKKRZTSE-CQSZACIVSA-N 2 2 267.417 0.973 20 0 CCADLP C/C(=C/C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)C[NH+]1CCOCC1 ZINC000911202010 613227943 /nfs/dbraw/zinc/22/79/43/613227943.db2.gz SWPDIASNIMGOTN-SZGZABIGSA-N 2 2 295.427 0.818 20 0 CCADLP C/C(=C/C(=O)N(C)C[C@@H]1CCC[N@H+]1C)C[NH+]1CCOCC1 ZINC000911202010 613227945 /nfs/dbraw/zinc/22/79/45/613227945.db2.gz SWPDIASNIMGOTN-SZGZABIGSA-N 2 2 295.427 0.818 20 0 CCADLP C/C(=C/C(=O)N1CCC[N@@H+](C)CC1)C[NH+]1CCOCC1 ZINC000899935246 613229740 /nfs/dbraw/zinc/22/97/40/613229740.db2.gz MYKZUXNJQRTRDG-OWBHPGMISA-N 2 2 281.400 0.429 20 0 CCADLP C/C(=C/C(=O)N1CCC[N@H+](C)CC1)C[NH+]1CCOCC1 ZINC000899935246 613229742 /nfs/dbraw/zinc/22/97/42/613229742.db2.gz MYKZUXNJQRTRDG-OWBHPGMISA-N 2 2 281.400 0.429 20 0 CCADLP C([NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)[C@@H]1C[NH2+]CCO1 ZINC000925711431 613230147 /nfs/dbraw/zinc/23/01/47/613230147.db2.gz YZOCXQWHPWAMRD-FQUUOJAGSA-N 2 2 254.374 0.770 20 0 CCADLP C/C(=C/C(=O)NC[C@@H](C)C[NH+](C)C)C[NH+]1CCOCC1 ZINC000908345607 613236580 /nfs/dbraw/zinc/23/65/80/613236580.db2.gz JCTDLVXJQLLWCD-RNQWEJQRSA-N 2 2 283.416 0.579 20 0 CCADLP CC(C)(C)CC[C@H]([NH3+])C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000904328128 613914820 /nfs/dbraw/zinc/91/48/20/613914820.db2.gz AADKQVCBQJBQDO-NSHDSACASA-N 2 2 296.415 0.814 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876523944 613948902 /nfs/dbraw/zinc/94/89/02/613948902.db2.gz HWULKMQOGIAFOB-HYXAFXHYSA-N 2 2 269.389 0.379 20 0 CCADLP CC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000917009795 613985621 /nfs/dbraw/zinc/98/56/21/613985621.db2.gz LIQBUPXRORPFII-ZIAGYGMSSA-N 2 2 269.389 0.044 20 0 CCADLP CC(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000917009795 613985623 /nfs/dbraw/zinc/98/56/23/613985623.db2.gz LIQBUPXRORPFII-ZIAGYGMSSA-N 2 2 269.389 0.044 20 0 CCADLP CC(C)(C)n1cc(C[NH2+][C@H]2CCC[C@H]2[NH3+])c(=O)[nH]c1=O ZINC000925809808 614061143 /nfs/dbraw/zinc/06/11/43/614061143.db2.gz XCNXUFLKIZRSGW-MNOVXSKESA-N 2 2 280.372 0.673 20 0 CCADLP CC(C)CC[C@H](O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000923332501 614061488 /nfs/dbraw/zinc/06/14/88/614061488.db2.gz KIIBQQKWWCKSCB-CABCVRRESA-N 2 2 297.443 0.680 20 0 CCADLP CC(C)CC[C@H](O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000923332501 614061489 /nfs/dbraw/zinc/06/14/89/614061489.db2.gz KIIBQQKWWCKSCB-CABCVRRESA-N 2 2 297.443 0.680 20 0 CCADLP CC(C)[C@@H](C(=O)NC[C@H]1CC[NH+]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000928565136 614076116 /nfs/dbraw/zinc/07/61/16/614076116.db2.gz KAPAOHRRYIALAI-BARDWOONSA-N 2 2 297.443 0.941 20 0 CCADLP CC(C)[C@@H](C(=O)NC[C@H]1CC[NH+]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000928565136 614076118 /nfs/dbraw/zinc/07/61/18/614076118.db2.gz KAPAOHRRYIALAI-BARDWOONSA-N 2 2 297.443 0.941 20 0 CCADLP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000928565136 614076120 /nfs/dbraw/zinc/07/61/20/614076120.db2.gz KAPAOHRRYIALAI-BARDWOONSA-N 2 2 297.443 0.941 20 0 CCADLP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000928565136 614076122 /nfs/dbraw/zinc/07/61/22/614076122.db2.gz KAPAOHRRYIALAI-BARDWOONSA-N 2 2 297.443 0.941 20 0 CCADLP CC(C)[C@@H](C(=O)N[C@H](CO)c1c[nH+]cn1C)[NH+](C)C ZINC000898884258 614077305 /nfs/dbraw/zinc/07/73/05/614077305.db2.gz QQHWCPMVLHYCDT-PWSUYJOCSA-N 2 2 268.361 0.156 20 0 CCADLP CC(C)C[C@@H](C(N)=O)[N@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000880591798 614183742 /nfs/dbraw/zinc/18/37/42/614183742.db2.gz MRBSRMWBKJFMMR-ZDUSSCGKSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)C[C@@H](C(N)=O)[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000880591798 614183743 /nfs/dbraw/zinc/18/37/43/614183743.db2.gz MRBSRMWBKJFMMR-ZDUSSCGKSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868423412 614262373 /nfs/dbraw/zinc/26/23/73/614262373.db2.gz IIGVDQGSBHTIJM-GXMNPTEKSA-N 2 2 283.416 0.720 20 0 CCADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868423412 614262375 /nfs/dbraw/zinc/26/23/75/614262375.db2.gz IIGVDQGSBHTIJM-GXMNPTEKSA-N 2 2 283.416 0.720 20 0 CCADLP CC(C)[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903730483 614265628 /nfs/dbraw/zinc/26/56/28/614265628.db2.gz WRQYSIMUVGLGDJ-OLZOCXBDSA-N 2 2 253.390 0.833 20 0 CCADLP CC(C)[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903730483 614265631 /nfs/dbraw/zinc/26/56/31/614265631.db2.gz WRQYSIMUVGLGDJ-OLZOCXBDSA-N 2 2 253.390 0.833 20 0 CCADLP CC(C)[C@H]1COCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000924839688 614275015 /nfs/dbraw/zinc/27/50/15/614275015.db2.gz OHUMQFDWKPQGEO-KGLIPLIRSA-N 2 2 283.416 0.411 20 0 CCADLP CC(C)=CC[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000980893850 614291577 /nfs/dbraw/zinc/29/15/77/614291577.db2.gz PLESUTDCFVURNZ-HNNXBMFYSA-N 2 2 295.427 0.818 20 0 CCADLP CC(C)=CC[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000980893850 614291578 /nfs/dbraw/zinc/29/15/78/614291578.db2.gz PLESUTDCFVURNZ-HNNXBMFYSA-N 2 2 295.427 0.818 20 0 CCADLP CC(C)=CC[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000980893850 614291580 /nfs/dbraw/zinc/29/15/80/614291580.db2.gz PLESUTDCFVURNZ-HNNXBMFYSA-N 2 2 295.427 0.818 20 0 CCADLP CC(C)=CC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000980893850 614291582 /nfs/dbraw/zinc/29/15/82/614291582.db2.gz PLESUTDCFVURNZ-HNNXBMFYSA-N 2 2 295.427 0.818 20 0 CCADLP CC(C)c1[nH+]ccn1CCNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900677190 614328185 /nfs/dbraw/zinc/32/81/85/614328185.db2.gz BJBRPCYHUUWYKE-SWLSCSKDSA-N 2 2 294.399 0.578 20 0 CCADLP CC(C)c1[nH+]ccn1CCNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000900677190 614328187 /nfs/dbraw/zinc/32/81/87/614328187.db2.gz BJBRPCYHUUWYKE-SWLSCSKDSA-N 2 2 294.399 0.578 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923326268 614520897 /nfs/dbraw/zinc/52/08/97/614520897.db2.gz JSUIKCJUMPLSIR-XUXIUFHCSA-N 3 2 255.406 0.501 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923326268 614520901 /nfs/dbraw/zinc/52/09/01/614520901.db2.gz JSUIKCJUMPLSIR-XUXIUFHCSA-N 3 2 255.406 0.501 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923326268 614520904 /nfs/dbraw/zinc/52/09/04/614520904.db2.gz JSUIKCJUMPLSIR-XUXIUFHCSA-N 3 2 255.406 0.501 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923326268 614520908 /nfs/dbraw/zinc/52/09/08/614520908.db2.gz JSUIKCJUMPLSIR-XUXIUFHCSA-N 3 2 255.406 0.501 20 0 CCADLP CCC(CC)C[NH+]1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000843055352 614554133 /nfs/dbraw/zinc/55/41/33/614554133.db2.gz ZWCGPILVMXOXQT-UHFFFAOYSA-N 2 2 289.445 0.342 20 0 CCADLP CCN(C(=O)N[C@H](C)Cn1cc[nH+]c1)[C@@H]1CC[NH2+]C1 ZINC000887279122 614604934 /nfs/dbraw/zinc/60/49/34/614604934.db2.gz ZEJBARJBAQXMBT-VXGBXAGGSA-N 2 2 265.361 0.665 20 0 CCADLP CCN(C(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1)C1C[NH+](CCO)C1 ZINC000950089380 614643629 /nfs/dbraw/zinc/64/36/29/614643629.db2.gz BNQPFWGFZYSRTG-KGLIPLIRSA-N 2 2 295.427 0.386 20 0 CCADLP CCN(C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1)C1C[NH+](CCO)C1 ZINC000950089380 614643633 /nfs/dbraw/zinc/64/36/33/614643633.db2.gz BNQPFWGFZYSRTG-KGLIPLIRSA-N 2 2 295.427 0.386 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000876745544 614655359 /nfs/dbraw/zinc/65/53/59/614655359.db2.gz DEIFOSZTTYUZBS-NWDGAFQWSA-N 2 2 283.416 0.587 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000876745544 614655361 /nfs/dbraw/zinc/65/53/61/614655361.db2.gz DEIFOSZTTYUZBS-NWDGAFQWSA-N 2 2 283.416 0.587 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000876745546 614655618 /nfs/dbraw/zinc/65/56/18/614655618.db2.gz DEIFOSZTTYUZBS-VXGBXAGGSA-N 2 2 283.416 0.587 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000876745546 614655620 /nfs/dbraw/zinc/65/56/20/614655620.db2.gz DEIFOSZTTYUZBS-VXGBXAGGSA-N 2 2 283.416 0.587 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000891473765 614655893 /nfs/dbraw/zinc/65/58/93/614655893.db2.gz YSHKOXLMXPQZLQ-BETUJISGSA-N 2 2 296.415 0.243 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000891473765 614655894 /nfs/dbraw/zinc/65/58/94/614655894.db2.gz YSHKOXLMXPQZLQ-BETUJISGSA-N 2 2 296.415 0.243 20 0 CCADLP CC1(C)CNC(=O)[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000895319047 614690292 /nfs/dbraw/zinc/69/02/92/614690292.db2.gz CFIFVOOKJAQUOK-OLZOCXBDSA-N 2 2 281.400 0.354 20 0 CCADLP CC1(C)CNC(=O)[C@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000924645337 614696942 /nfs/dbraw/zinc/69/69/42/614696942.db2.gz ILYYXMCGVGQNAJ-CYBMUJFWSA-N 2 2 276.384 0.876 20 0 CCADLP CC1(C)C[NH2+]CC[C@H](NC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000872275602 614702348 /nfs/dbraw/zinc/70/23/48/614702348.db2.gz JRRDSXXNJQIUNF-XGACYXMMSA-N 2 2 295.427 0.769 20 0 CCADLP CCC1([NH3+])CC[NH+]([C@@H]2CCOC[C@H]2[C@H](C)[NH3+])CC1 ZINC000925758514 614704475 /nfs/dbraw/zinc/70/44/75/614704475.db2.gz CFJZCROYCSWVFH-RWMBFGLXSA-N 3 2 255.406 0.942 20 0 CCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCN1CCOCC1(C)C ZINC000925475833 614807542 /nfs/dbraw/zinc/80/75/42/614807542.db2.gz FQVAXMHVSPBFCH-LBPRGKRZSA-N 2 2 255.406 0.827 20 0 CCADLP CC1(C)OC[C@@H](C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)O1 ZINC000852708303 614821534 /nfs/dbraw/zinc/82/15/34/614821534.db2.gz WIYITYROPJHWQA-ZIAGYGMSSA-N 2 2 284.400 0.669 20 0 CCADLP CC1(C)OC[C@@H](C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)O1 ZINC000852708303 614821538 /nfs/dbraw/zinc/82/15/38/614821538.db2.gz WIYITYROPJHWQA-ZIAGYGMSSA-N 2 2 284.400 0.669 20 0 CCADLP CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000960652796 614831270 /nfs/dbraw/zinc/83/12/70/614831270.db2.gz YCNZVDWXZKHOGU-SPWCGHHHSA-N 2 2 288.395 0.902 20 0 CCADLP CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000960652796 614831274 /nfs/dbraw/zinc/83/12/74/614831274.db2.gz YCNZVDWXZKHOGU-SPWCGHHHSA-N 2 2 288.395 0.902 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000846792942 614850149 /nfs/dbraw/zinc/85/01/49/614850149.db2.gz MRVDULDKCMODJI-CQSZACIVSA-N 2 2 266.389 0.902 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000846792942 614850152 /nfs/dbraw/zinc/85/01/52/614850152.db2.gz MRVDULDKCMODJI-CQSZACIVSA-N 2 2 266.389 0.902 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000884364255 614852123 /nfs/dbraw/zinc/85/21/23/614852123.db2.gz PFRYVEWASUUVCG-AXFHLTTASA-N 2 2 262.357 0.688 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC([C@H]2COC(=O)N2)CC1 ZINC000932774170 614866109 /nfs/dbraw/zinc/86/61/09/614866109.db2.gz UMIIITOJEGSWOB-QWHCGFSZSA-N 2 2 285.388 0.119 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC([C@H]2COC(=O)N2)CC1 ZINC000932774170 614866112 /nfs/dbraw/zinc/86/61/12/614866112.db2.gz UMIIITOJEGSWOB-QWHCGFSZSA-N 2 2 285.388 0.119 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(CN2CCNC2=O)CC1 ZINC000933580056 614866623 /nfs/dbraw/zinc/86/66/23/614866623.db2.gz RAFBUUMPXVQRFP-AWEZNQCLSA-N 2 2 298.431 0.036 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(CN2CCNC2=O)CC1 ZINC000933580056 614866625 /nfs/dbraw/zinc/86/66/25/614866625.db2.gz RAFBUUMPXVQRFP-AWEZNQCLSA-N 2 2 298.431 0.036 20 0 CCADLP CC[N@H+](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000971431279 614888667 /nfs/dbraw/zinc/88/86/67/614888667.db2.gz ALDOKKNEQDJDDQ-LLVKDONJSA-N 2 2 250.346 0.895 20 0 CCADLP CC[N@@H+](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000971431279 614888670 /nfs/dbraw/zinc/88/86/70/614888670.db2.gz ALDOKKNEQDJDDQ-LLVKDONJSA-N 2 2 250.346 0.895 20 0 CCADLP CC1(CNC(=O)/C=C\C[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000876798969 614894633 /nfs/dbraw/zinc/89/46/33/614894633.db2.gz UNYOQXYZFSJPBN-IHWYPQMZSA-N 2 2 281.400 0.381 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)[NH2+]C[C@@H](O)c1ccc(F)cn1 ZINC000843102894 615000561 /nfs/dbraw/zinc/00/05/61/615000561.db2.gz HLXNXQTVKKPNMY-DZGCQCFKSA-N 2 2 299.390 0.937 20 0 CCADLP CCNC(=O)N1CC[C@H]([NH2+][C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000925587779 615056346 /nfs/dbraw/zinc/05/63/46/615056346.db2.gz JTDBTIGTRPSECD-GRYCIOLGSA-N 2 2 254.378 0.520 20 0 CCADLP CC[NH2+]CC(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000844187494 615077219 /nfs/dbraw/zinc/07/72/19/615077219.db2.gz HDLZWGOJILYLSJ-UHFFFAOYSA-N 2 2 263.332 0.784 20 0 CCADLP CC[NH2+]CC(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000844187494 615077220 /nfs/dbraw/zinc/07/72/20/615077220.db2.gz HDLZWGOJILYLSJ-UHFFFAOYSA-N 2 2 263.332 0.784 20 0 CCADLP CC[NH+]1CC(N2CCN(C(=O)Cn3c[nH+]cc3C)CC2)C1 ZINC000941490268 615086916 /nfs/dbraw/zinc/08/69/16/615086916.db2.gz WVTYIXRJIUVFNP-UHFFFAOYSA-N 2 2 291.399 0.040 20 0 CCADLP CC[NH2+]C[C@@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000980823243 615091683 /nfs/dbraw/zinc/09/16/83/615091683.db2.gz UUXGWMIPEPGSEF-NEPJUHHUSA-N 2 2 250.346 0.730 20 0 CCADLP CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CCc2c[nH+]cn2C)CCO1 ZINC000979453628 615111673 /nfs/dbraw/zinc/11/16/73/615111673.db2.gz YAHKCNYXQSKRJN-GXTWGEPZSA-N 2 2 294.399 0.578 20 0 CCADLP CC[N@@H+]1CCN(C(=O)/C=C(/C)C[NH+]2CCOCC2)C[C@H]1C ZINC000901197795 615147723 /nfs/dbraw/zinc/14/77/23/615147723.db2.gz DWXHUFWCEKRYMK-QKXCFHHRSA-N 2 2 295.427 0.818 20 0 CCADLP CC[N@H+]1CCN(C(=O)/C=C(/C)C[NH+]2CCOCC2)C[C@H]1C ZINC000901197795 615147726 /nfs/dbraw/zinc/14/77/26/615147726.db2.gz DWXHUFWCEKRYMK-QKXCFHHRSA-N 2 2 295.427 0.818 20 0 CCADLP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925548229 615157893 /nfs/dbraw/zinc/15/78/93/615157893.db2.gz ZPIFKGAWJXEBKP-LSDHHAIUSA-N 3 2 268.449 0.744 20 0 CCADLP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925490855 615160220 /nfs/dbraw/zinc/16/02/20/615160220.db2.gz PDJYSOFXFUWODS-OWCLPIDISA-N 3 2 282.476 0.990 20 0 CCADLP CCN1CC[NH+]([C@@H](C)CNc2cc[nH+]cc2CO)CC1 ZINC000891829199 615161262 /nfs/dbraw/zinc/16/12/62/615161262.db2.gz HNEOMPFYNKYOJP-ZDUSSCGKSA-N 2 2 278.400 0.434 20 0 CCADLP CCOC(=O)CCCC[N@@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000923473043 615172183 /nfs/dbraw/zinc/17/21/83/615172183.db2.gz OLJJPQVFBQOETE-CYBMUJFWSA-N 2 2 258.362 0.505 20 0 CCADLP CCOC(=O)CCCC[N@H+]1CCC[C@]([NH3+])(CO)C1 ZINC000923473043 615172184 /nfs/dbraw/zinc/17/21/84/615172184.db2.gz OLJJPQVFBQOETE-CYBMUJFWSA-N 2 2 258.362 0.505 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)OCCC[NH+]2CCCC2)C1 ZINC000805477623 615172409 /nfs/dbraw/zinc/17/24/09/615172409.db2.gz LGSZCZKOXZSAMB-CYBMUJFWSA-N 2 2 270.373 0.736 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)OCCC[NH+]2CCCC2)C1 ZINC000805477623 615172410 /nfs/dbraw/zinc/17/24/10/615172410.db2.gz LGSZCZKOXZSAMB-CYBMUJFWSA-N 2 2 270.373 0.736 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH+](C)CCF)C2)C1 ZINC000980448010 615181544 /nfs/dbraw/zinc/18/15/44/615181544.db2.gz ITKAEZMQJIUDPU-OLZOCXBDSA-N 2 2 287.379 0.209 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH+](C)CCF)C2)C1 ZINC000980448010 615181546 /nfs/dbraw/zinc/18/15/46/615181546.db2.gz ITKAEZMQJIUDPU-OLZOCXBDSA-N 2 2 287.379 0.209 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@@H]([N@H+](C)CCF)C2)C1 ZINC000980448010 615181548 /nfs/dbraw/zinc/18/15/48/615181548.db2.gz ITKAEZMQJIUDPU-OLZOCXBDSA-N 2 2 287.379 0.209 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CCF)C2)C1 ZINC000980448010 615181549 /nfs/dbraw/zinc/18/15/49/615181549.db2.gz ITKAEZMQJIUDPU-OLZOCXBDSA-N 2 2 287.379 0.209 20 0 CCADLP CCOC(=O)C[N@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903751736 615190806 /nfs/dbraw/zinc/19/08/06/615190806.db2.gz IRAOCDBSKXUSDE-ZFWWWQNUSA-N 2 2 282.384 0.783 20 0 CCADLP CCOC(=O)C[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C1CC1 ZINC000903751736 615190812 /nfs/dbraw/zinc/19/08/12/615190812.db2.gz IRAOCDBSKXUSDE-ZFWWWQNUSA-N 2 2 282.384 0.783 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000947929703 615213231 /nfs/dbraw/zinc/21/32/31/615213231.db2.gz NEYSDQSYYOPDBO-VXGBXAGGSA-N 2 2 264.373 0.952 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000947929703 615213234 /nfs/dbraw/zinc/21/32/34/615213234.db2.gz NEYSDQSYYOPDBO-VXGBXAGGSA-N 2 2 264.373 0.952 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876718110 615253802 /nfs/dbraw/zinc/25/38/02/615253802.db2.gz LIEJIKXZUWGAIH-OLZOCXBDSA-N 2 2 287.379 0.115 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000890055740 615255062 /nfs/dbraw/zinc/25/50/62/615255062.db2.gz FSBHCHPJVFNHQI-WDEREUQCSA-N 2 2 263.345 0.201 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000890055740 615255063 /nfs/dbraw/zinc/25/50/63/615255063.db2.gz FSBHCHPJVFNHQI-WDEREUQCSA-N 2 2 263.345 0.201 20 0 CCADLP CCOCCOCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000925873565 615282528 /nfs/dbraw/zinc/28/25/28/615282528.db2.gz BXTYDHKCVMFLPT-KGLIPLIRSA-N 2 2 272.389 0.396 20 0 CCADLP CC[C@@H](C(=O)NCC[NH2+]C1CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911755708 615380472 /nfs/dbraw/zinc/38/04/72/615380472.db2.gz VFXIQHUGSJGVFV-KGLIPLIRSA-N 2 2 283.416 0.744 20 0 CCADLP CC[C@@H](C(=O)NCC[NH2+]C1CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000911755708 615380476 /nfs/dbraw/zinc/38/04/76/615380476.db2.gz VFXIQHUGSJGVFV-KGLIPLIRSA-N 2 2 283.416 0.744 20 0 CCADLP CC[C@@H](C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C)[NH+](C)C ZINC000912391425 615380615 /nfs/dbraw/zinc/38/06/15/615380615.db2.gz OGZISVHVFKXZIP-AGIUHOORSA-N 2 2 271.405 0.552 20 0 CCADLP CC[C@@H](C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C)[NH+](C)C ZINC000912391425 615380617 /nfs/dbraw/zinc/38/06/17/615380617.db2.gz OGZISVHVFKXZIP-AGIUHOORSA-N 2 2 271.405 0.552 20 0 CCADLP CC[C@@H](C(=O)NCCC[NH2+]C)[N@@H+]1CCO[C@H](CC)C1 ZINC000911675774 615381030 /nfs/dbraw/zinc/38/10/30/615381030.db2.gz FRHPUEUYSYSEQV-OLZOCXBDSA-N 2 2 271.405 0.602 20 0 CCADLP CC[C@@H](C(=O)NCCC[NH2+]C)[N@H+]1CCO[C@H](CC)C1 ZINC000911675774 615381032 /nfs/dbraw/zinc/38/10/32/615381032.db2.gz FRHPUEUYSYSEQV-OLZOCXBDSA-N 2 2 271.405 0.602 20 0 CCADLP CCO[C@@H](CNC(=O)NCCc1cn(C)c[nH+]1)C[NH+](C)C ZINC000922822163 615406724 /nfs/dbraw/zinc/40/67/24/615406724.db2.gz MRSXWGMTURCAMO-ZDUSSCGKSA-N 2 2 297.403 0.229 20 0 CCADLP CCO[C@@H](CNC(=O)N[C@H](C)Cn1cc[nH+]c1)C[NH+](C)C ZINC000914196268 615407606 /nfs/dbraw/zinc/40/76/06/615407606.db2.gz MLFDVBWZBTZBDT-OLZOCXBDSA-N 2 2 297.403 0.538 20 0 CCADLP CCO[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C[NH+](C)C ZINC000831713804 615408644 /nfs/dbraw/zinc/40/86/44/615408644.db2.gz PKATWRQHKJXHBU-STQMWFEESA-N 2 2 294.399 0.528 20 0 CCADLP CC[N@H+]1[C@H](C)CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000912023668 615449756 /nfs/dbraw/zinc/44/97/56/615449756.db2.gz HAZNHSICIPIAOZ-TXEJJXNPSA-N 2 2 250.346 0.824 20 0 CCADLP CC[N@@H+]1[C@H](C)CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000912023668 615449759 /nfs/dbraw/zinc/44/97/59/615449759.db2.gz HAZNHSICIPIAOZ-TXEJJXNPSA-N 2 2 250.346 0.824 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)C[N@H+](C)C(C)C ZINC000928637551 615477126 /nfs/dbraw/zinc/47/71/26/615477126.db2.gz AJEPYSRNBHLZNQ-ZDUSSCGKSA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)C[N@@H+](C)C(C)C ZINC000928637551 615477128 /nfs/dbraw/zinc/47/71/28/615477128.db2.gz AJEPYSRNBHLZNQ-ZDUSSCGKSA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)C[N@H+](C)C1CCC1 ZINC000928646334 615477151 /nfs/dbraw/zinc/47/71/51/615477151.db2.gz JPTMLLIMXZPHLT-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)C[N@@H+](C)C1CCC1 ZINC000928646334 615477153 /nfs/dbraw/zinc/47/71/53/615477153.db2.gz JPTMLLIMXZPHLT-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP CCO[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])C[NH+](C)C ZINC000925841891 615484308 /nfs/dbraw/zinc/48/43/08/615484308.db2.gz ULZPSARYCGVRDZ-YIYPIFLZSA-N 3 2 273.421 0.295 20 0 CCADLP CCS(=O)(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000842474071 615533772 /nfs/dbraw/zinc/53/37/72/615533772.db2.gz DBESNRBIEUFQHV-CHWSQXEVSA-N 2 2 274.430 0.885 20 0 CCADLP CCS(=O)(=O)CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000842474071 615533773 /nfs/dbraw/zinc/53/37/73/615533773.db2.gz DBESNRBIEUFQHV-CHWSQXEVSA-N 2 2 274.430 0.885 20 0 CCADLP CCS(=O)(=O)CC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000842474072 615534083 /nfs/dbraw/zinc/53/40/83/615534083.db2.gz DBESNRBIEUFQHV-OLZOCXBDSA-N 2 2 274.430 0.885 20 0 CCADLP CCS(=O)(=O)CC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000842474072 615534084 /nfs/dbraw/zinc/53/40/84/615534084.db2.gz DBESNRBIEUFQHV-OLZOCXBDSA-N 2 2 274.430 0.885 20 0 CCADLP CC[C@@H]1C[N@H+](CCCS(=O)(=O)CCOC)CC[C@H]1[NH3+] ZINC000843376557 615563972 /nfs/dbraw/zinc/56/39/72/615563972.db2.gz BAWSLXNYGXDLFL-CHWSQXEVSA-N 2 2 292.445 0.497 20 0 CCADLP CC[C@@H]1C[N@@H+](CCCS(=O)(=O)CCOC)CC[C@H]1[NH3+] ZINC000843376557 615563973 /nfs/dbraw/zinc/56/39/73/615563973.db2.gz BAWSLXNYGXDLFL-CHWSQXEVSA-N 2 2 292.445 0.497 20 0 CCADLP CC[C@H](C(=O)N[C@H](C[NH3+])C1CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911831647 615565264 /nfs/dbraw/zinc/56/52/64/615565264.db2.gz CFQDTGJMZYUEIV-MGPQQGTHSA-N 2 2 283.416 0.729 20 0 CCADLP CC[C@H](C(=O)N[C@H](C[NH3+])C1CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000911831647 615565265 /nfs/dbraw/zinc/56/52/65/615565265.db2.gz CFQDTGJMZYUEIV-MGPQQGTHSA-N 2 2 283.416 0.729 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CC[NH+](C)[C@@H]1C ZINC000925353555 615567807 /nfs/dbraw/zinc/56/78/07/615567807.db2.gz HMFSPWYJTHZWET-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CC[NH+](C)[C@@H]1C ZINC000925353555 615567808 /nfs/dbraw/zinc/56/78/08/615567808.db2.gz HMFSPWYJTHZWET-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000925353555 615567809 /nfs/dbraw/zinc/56/78/09/615567809.db2.gz HMFSPWYJTHZWET-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000925353555 615567810 /nfs/dbraw/zinc/56/78/10/615567810.db2.gz HMFSPWYJTHZWET-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000874706670 615568282 /nfs/dbraw/zinc/56/82/82/615568282.db2.gz VLRBTDJJUGAPIZ-HIFRSBDPSA-N 2 2 295.427 0.840 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000874706670 615568283 /nfs/dbraw/zinc/56/82/83/615568283.db2.gz VLRBTDJJUGAPIZ-HIFRSBDPSA-N 2 2 295.427 0.840 20 0 CCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000874706670 615568284 /nfs/dbraw/zinc/56/82/84/615568284.db2.gz VLRBTDJJUGAPIZ-HIFRSBDPSA-N 2 2 295.427 0.840 20 0 CCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000874706670 615568285 /nfs/dbraw/zinc/56/82/85/615568285.db2.gz VLRBTDJJUGAPIZ-HIFRSBDPSA-N 2 2 295.427 0.840 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000877435143 615568565 /nfs/dbraw/zinc/56/85/65/615568565.db2.gz XVLANIYMCYBWIM-CHWSQXEVSA-N 2 2 269.389 0.341 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000877435143 615568566 /nfs/dbraw/zinc/56/85/66/615568566.db2.gz XVLANIYMCYBWIM-CHWSQXEVSA-N 2 2 269.389 0.341 20 0 CCADLP CC[C@@](O)(C[NH2+]C[C@H](O)C[NH+]1CCCC1)C(F)(F)F ZINC000905346019 615593446 /nfs/dbraw/zinc/59/34/46/615593446.db2.gz POWQWPZMZCEAPD-WDEREUQCSA-N 2 2 284.322 0.736 20 0 CCADLP CCn1cccc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)c1=O ZINC000925659646 615601390 /nfs/dbraw/zinc/60/13/90/615601390.db2.gz ZBSOZPNRZAVFII-BTFPBAQTSA-N 2 2 273.380 0.954 20 0 CCADLP CCn1cnc2c1CC[N@H+](C[C@@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000923558130 615629262 /nfs/dbraw/zinc/62/92/62/615629262.db2.gz QUHSEIMARSVVJF-LBPRGKRZSA-N 2 2 276.384 0.640 20 0 CCADLP CCn1cnc2c1CC[N@@H+](C[C@@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000923558130 615629265 /nfs/dbraw/zinc/62/92/65/615629265.db2.gz QUHSEIMARSVVJF-LBPRGKRZSA-N 2 2 276.384 0.640 20 0 CCADLP CC[C@H](C[N@@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1)OC ZINC000982035577 615712328 /nfs/dbraw/zinc/71/23/28/615712328.db2.gz LEZJYEGHHYRVIA-CQSZACIVSA-N 2 2 294.399 0.912 20 0 CCADLP CC[C@H](C[N@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1)OC ZINC000982035577 615712329 /nfs/dbraw/zinc/71/23/29/615712329.db2.gz LEZJYEGHHYRVIA-CQSZACIVSA-N 2 2 294.399 0.912 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000925357874 615717981 /nfs/dbraw/zinc/71/79/81/615717981.db2.gz YGQUFOGTMCETJG-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000925357874 615717982 /nfs/dbraw/zinc/71/79/82/615717982.db2.gz YGQUFOGTMCETJG-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912735694 615779128 /nfs/dbraw/zinc/77/91/28/615779128.db2.gz DITXHQKMFZTTKM-OLZOCXBDSA-N 2 2 294.399 0.532 20 0 CCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912735694 615779131 /nfs/dbraw/zinc/77/91/31/615779131.db2.gz DITXHQKMFZTTKM-OLZOCXBDSA-N 2 2 294.399 0.532 20 0 CCADLP CC[C@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)[C@@H]1CCC[NH2+]1 ZINC000925775301 615817608 /nfs/dbraw/zinc/81/76/08/615817608.db2.gz PMIFRLGMFOHSJS-RYUDHWBXSA-N 2 2 289.445 0.531 20 0 CCADLP CC[C@H]([NH2+]Cc1cn(C2CC2)c(=O)[nH]c1=O)[C@@H]1CCC[NH2+]1 ZINC000925765571 615819557 /nfs/dbraw/zinc/81/95/57/615819557.db2.gz KXHZRKAIAAHTII-STQMWFEESA-N 2 2 292.383 0.904 20 0 CCADLP C[NH+](C)C1(C)CC[NH+](CC2CN(S(C)(=O)=O)C2)CC1 ZINC000931355766 615846150 /nfs/dbraw/zinc/84/61/50/615846150.db2.gz WHHRJDVUSMNBHM-UHFFFAOYSA-N 2 2 289.445 0.294 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC1CSC1 ZINC000923835601 615879127 /nfs/dbraw/zinc/87/91/27/615879127.db2.gz QVXGBBKQRCPHFD-UHFFFAOYSA-N 2 2 288.461 0.532 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC1CSC1 ZINC000923835601 615879129 /nfs/dbraw/zinc/87/91/29/615879129.db2.gz QVXGBBKQRCPHFD-UHFFFAOYSA-N 2 2 288.461 0.532 20 0 CCADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865177302 615896112 /nfs/dbraw/zinc/89/61/12/615896112.db2.gz DORYGLINVCFCPA-DGCLKSJQSA-N 2 2 296.371 0.012 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](C[C@@H]2CC3(CCC3)CO2)CC1=O ZINC000878802259 615899828 /nfs/dbraw/zinc/89/98/28/615899828.db2.gz CXCCWFSHVOVXTK-AWEZNQCLSA-N 2 2 295.427 0.651 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](C[C@@H]2CC3(CCC3)CO2)CC1=O ZINC000878802259 615899831 /nfs/dbraw/zinc/89/98/31/615899831.db2.gz CXCCWFSHVOVXTK-AWEZNQCLSA-N 2 2 295.427 0.651 20 0 CCADLP C[NH+](C)CC[C@@H]([NH2+]CCC(N)=O)c1cccnc1 ZINC000905556651 615912428 /nfs/dbraw/zinc/91/24/28/615912428.db2.gz JXKKJYLHUKNRMZ-GFCCVEGCSA-N 2 2 250.346 0.539 20 0 CCADLP CC[C@H]1C[N@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)CCO1 ZINC000903879333 615915392 /nfs/dbraw/zinc/91/53/92/615915392.db2.gz YNPSABRRDQFBEY-ZFWWWQNUSA-N 2 2 280.416 0.957 20 0 CCADLP CC[C@H]1C[N@@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)CCO1 ZINC000903879333 615915395 /nfs/dbraw/zinc/91/53/95/615915395.db2.gz YNPSABRRDQFBEY-ZFWWWQNUSA-N 2 2 280.416 0.957 20 0 CCADLP CC[C@@H](C(=O)NC1CC[NH2+]CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000911628954 615917223 /nfs/dbraw/zinc/91/72/23/615917223.db2.gz QVKJASMSBNWVPD-KBPBESRZSA-N 2 2 283.416 0.744 20 0 CCADLP CC[C@@H](C(=O)NC1CC[NH2+]CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000911628954 615917226 /nfs/dbraw/zinc/91/72/26/615917226.db2.gz QVKJASMSBNWVPD-KBPBESRZSA-N 2 2 283.416 0.744 20 0 CCADLP C[NH+](C)CCn1nccc1NC(=O)Cc1[nH]cc[nH+]1 ZINC000854664500 615923047 /nfs/dbraw/zinc/92/30/47/615923047.db2.gz BUTNXWYZIHRZKG-UHFFFAOYSA-N 2 2 262.317 0.349 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000877435173 615926074 /nfs/dbraw/zinc/92/60/74/615926074.db2.gz YOTYLSWYZCKKRL-KBPBESRZSA-N 2 2 295.427 0.603 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000877435173 615926076 /nfs/dbraw/zinc/92/60/76/615926076.db2.gz YOTYLSWYZCKKRL-KBPBESRZSA-N 2 2 295.427 0.603 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)c1cccc(C[NH3+])c1 ZINC000877432735 615928196 /nfs/dbraw/zinc/92/81/96/615928196.db2.gz GJGOQLZEOZGWHN-HNNXBMFYSA-N 2 2 291.395 0.986 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)c1cccc(C[NH3+])c1 ZINC000877432735 615928198 /nfs/dbraw/zinc/92/81/98/615928198.db2.gz GJGOQLZEOZGWHN-HNNXBMFYSA-N 2 2 291.395 0.986 20 0 CCADLP C[NH+](C)C[C@H](N)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000877247181 615942405 /nfs/dbraw/zinc/94/24/05/615942405.db2.gz DNONNGSPUWIDER-KBPBESRZSA-N 2 2 276.384 0.178 20 0 CCADLP C[NH+](C)C[C@H](N)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000877247181 615942407 /nfs/dbraw/zinc/94/24/07/615942407.db2.gz DNONNGSPUWIDER-KBPBESRZSA-N 2 2 276.384 0.178 20 0 CCADLP CN(C)C(=[NH2+])NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000848990413 615945149 /nfs/dbraw/zinc/94/51/49/615945149.db2.gz JJIGOLVKQPMMQH-UHFFFAOYSA-N 2 2 275.400 0.895 20 0 CCADLP C[NH+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000826048622 615945316 /nfs/dbraw/zinc/94/53/16/615945316.db2.gz JCJMJTMUGKSLNQ-LLVKDONJSA-N 2 2 250.346 0.895 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CC[N@H+]1C)c1ccco1 ZINC000913868991 615974162 /nfs/dbraw/zinc/97/41/62/615974162.db2.gz APIWOIPZOLQGMN-NEPJUHHUSA-N 2 2 280.372 0.886 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCC(=O)N3CCCCC3)C[C@H]21 ZINC000931278696 615997336 /nfs/dbraw/zinc/99/73/36/615997336.db2.gz LLYXWNWDNQWHIX-NHAGDIPZSA-N 2 2 265.401 0.881 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCC(=O)N3CCCCC3)C[C@H]21 ZINC000931278696 615997339 /nfs/dbraw/zinc/99/73/39/615997339.db2.gz LLYXWNWDNQWHIX-NHAGDIPZSA-N 2 2 265.401 0.881 20 0 CCADLP CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[NH2+]CCOC2)C1 ZINC000925500333 615998384 /nfs/dbraw/zinc/99/83/84/615998384.db2.gz YDBWNRJROBVXEO-JHJVBQTASA-N 2 2 269.389 0.211 20 0 CCADLP C[N@H+](C1CC([NH3+])C1)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000843386941 616039082 /nfs/dbraw/zinc/03/90/82/616039082.db2.gz DDRONVIXMHIQPI-KGPNIALWSA-N 2 2 267.373 0.188 20 0 CCADLP C[N@@H+](C1CC([NH3+])C1)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000843386941 616039083 /nfs/dbraw/zinc/03/90/83/616039083.db2.gz DDRONVIXMHIQPI-KGPNIALWSA-N 2 2 267.373 0.188 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](CCCF)CC1)C1CCC1 ZINC000948776144 616043964 /nfs/dbraw/zinc/04/39/64/616043964.db2.gz AKTRQVMFYKEBBE-UHFFFAOYSA-N 2 2 271.380 0.975 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](CCCF)CC1)C1CCC1 ZINC000948776144 616043965 /nfs/dbraw/zinc/04/39/65/616043965.db2.gz AKTRQVMFYKEBBE-UHFFFAOYSA-N 2 2 271.380 0.975 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)[C@@H](CO)C1)CC(C)(C)C ZINC000913539741 616044016 /nfs/dbraw/zinc/04/40/16/616044016.db2.gz GQTJBWUZNQQXHO-GFCCVEGCSA-N 2 2 271.405 0.099 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)[C@@H](CO)C1)CC(C)(C)C ZINC000913539741 616044017 /nfs/dbraw/zinc/04/40/17/616044017.db2.gz GQTJBWUZNQQXHO-GFCCVEGCSA-N 2 2 271.405 0.099 20 0 CCADLP C[NH+](CC(=O)N1CC[N@H+](C)[C@@H](CO)C1)CC(C)(C)C ZINC000913539741 616044018 /nfs/dbraw/zinc/04/40/18/616044018.db2.gz GQTJBWUZNQQXHO-GFCCVEGCSA-N 2 2 271.405 0.099 20 0 CCADLP C[NH+](CC(=O)N1CC[N@@H+](C)[C@@H](CO)C1)CC(C)(C)C ZINC000913539741 616044019 /nfs/dbraw/zinc/04/40/19/616044019.db2.gz GQTJBWUZNQQXHO-GFCCVEGCSA-N 2 2 271.405 0.099 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+](C[C@](C)(O)C(F)F)CC1 ZINC000886013210 616075990 /nfs/dbraw/zinc/07/59/90/616075990.db2.gz YKFQXLQGZRDMCX-ZDUSSCGKSA-N 2 2 280.359 0.781 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+](C[C@](C)(O)C(F)F)CC1 ZINC000886013210 616075991 /nfs/dbraw/zinc/07/59/91/616075991.db2.gz YKFQXLQGZRDMCX-ZDUSSCGKSA-N 2 2 280.359 0.781 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000831406111 616076335 /nfs/dbraw/zinc/07/63/35/616076335.db2.gz IVQZMYHAFMLEOR-GFCCVEGCSA-N 2 2 250.346 0.859 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000901119878 616076578 /nfs/dbraw/zinc/07/65/78/616076578.db2.gz VNXJJUJNMPWNLZ-OCCSQVGLSA-N 2 2 280.372 0.187 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000901119878 616076579 /nfs/dbraw/zinc/07/65/79/616076579.db2.gz VNXJJUJNMPWNLZ-OCCSQVGLSA-N 2 2 280.372 0.187 20 0 CCADLP C[N@H+](CCS(C)(=O)=O)Cc1cccc2c1CC[NH2+]C2 ZINC000124000914 616119754 /nfs/dbraw/zinc/11/97/54/616119754.db2.gz YYNFZBLXKNFCFH-UHFFFAOYSA-N 2 2 282.409 0.809 20 0 CCADLP C[N@@H+](CCS(C)(=O)=O)Cc1cccc2c1CC[NH2+]C2 ZINC000124000914 616119756 /nfs/dbraw/zinc/11/97/56/616119756.db2.gz YYNFZBLXKNFCFH-UHFFFAOYSA-N 2 2 282.409 0.809 20 0 CCADLP C[NH+]1CCC(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000854726937 616166325 /nfs/dbraw/zinc/16/63/25/616166325.db2.gz HPKFLKKLMSATOS-HNNXBMFYSA-N 2 2 295.427 0.651 20 0 CCADLP CN(C(=O)N[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CCC[N@H+](C)C1 ZINC000894311060 616188982 /nfs/dbraw/zinc/18/89/82/616188982.db2.gz YGGZWMJPDYDREC-QWHCGFSZSA-N 2 2 291.399 0.934 20 0 CCADLP CN(C(=O)N[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CCC[N@@H+](C)C1 ZINC000894311060 616188983 /nfs/dbraw/zinc/18/89/83/616188983.db2.gz YGGZWMJPDYDREC-QWHCGFSZSA-N 2 2 291.399 0.934 20 0 CCADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NC23CC[NH+](CC2)C3)[nH]n1 ZINC000913635783 616197294 /nfs/dbraw/zinc/19/72/94/616197294.db2.gz OHIMCNOQTSQBFS-CYBMUJFWSA-N 2 2 289.383 0.754 20 0 CCADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)NC23CC[NH+](CC2)C3)[nH]n1 ZINC000913635783 616197295 /nfs/dbraw/zinc/19/72/95/616197295.db2.gz OHIMCNOQTSQBFS-CYBMUJFWSA-N 2 2 289.383 0.754 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H](O)COC[C@@H]1CCCO1 ZINC000880129859 616199461 /nfs/dbraw/zinc/19/94/61/616199461.db2.gz CFRPRRPQFOJCTL-YHUYYLMFSA-N 2 2 298.427 0.711 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H](O)COC[C@@H]1CCCO1 ZINC000880129859 616199462 /nfs/dbraw/zinc/19/94/62/616199462.db2.gz CFRPRRPQFOJCTL-YHUYYLMFSA-N 2 2 298.427 0.711 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H](O)COC[C@@H]1CCCO1 ZINC000880129859 616199463 /nfs/dbraw/zinc/19/94/63/616199463.db2.gz CFRPRRPQFOJCTL-YHUYYLMFSA-N 2 2 298.427 0.711 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@H](O)COC[C@@H]1CCCO1 ZINC000880129859 616199464 /nfs/dbraw/zinc/19/94/64/616199464.db2.gz CFRPRRPQFOJCTL-YHUYYLMFSA-N 2 2 298.427 0.711 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903782663 616199639 /nfs/dbraw/zinc/19/96/39/616199639.db2.gz QCHAROTUFIABOC-JONQDZQNSA-N 3 2 279.428 0.924 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903782663 616199640 /nfs/dbraw/zinc/19/96/40/616199640.db2.gz QCHAROTUFIABOC-JONQDZQNSA-N 3 2 279.428 0.924 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903782663 616199641 /nfs/dbraw/zinc/19/96/41/616199641.db2.gz QCHAROTUFIABOC-JONQDZQNSA-N 3 2 279.428 0.924 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903782663 616199642 /nfs/dbraw/zinc/19/96/42/616199642.db2.gz QCHAROTUFIABOC-JONQDZQNSA-N 3 2 279.428 0.924 20 0 CCADLP C[N@@H+]1CCC[C@](O)(CC(=O)N[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000908135504 616218998 /nfs/dbraw/zinc/21/89/98/616218998.db2.gz OPCUUMBKVOAVIM-WFASDCNBSA-N 2 2 292.383 0.161 20 0 CCADLP C[N@H+]1CCC[C@](O)(CC(=O)N[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000908135504 616218999 /nfs/dbraw/zinc/21/89/99/616218999.db2.gz OPCUUMBKVOAVIM-WFASDCNBSA-N 2 2 292.383 0.161 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[NH2+]CCC2(C)C)CC1 ZINC000866697603 616222092 /nfs/dbraw/zinc/22/20/92/616222092.db2.gz SXWYTQWAFNJTOJ-UHFFFAOYSA-N 3 2 282.432 0.224 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[NH2+]CCC2(C)C)CC1 ZINC000866697603 616222093 /nfs/dbraw/zinc/22/20/93/616222093.db2.gz SXWYTQWAFNJTOJ-UHFFFAOYSA-N 3 2 282.432 0.224 20 0 CCADLP CN1CCN(C(=O)CC[N@@H+]2CC[NH2+]CCC2(C)C)CC1 ZINC000866697603 616222094 /nfs/dbraw/zinc/22/20/94/616222094.db2.gz SXWYTQWAFNJTOJ-UHFFFAOYSA-N 2 2 282.432 0.224 20 0 CCADLP CN1CCN(C(=O)CC[N@H+]2CC[NH2+]CCC2(C)C)CC1 ZINC000866697603 616222095 /nfs/dbraw/zinc/22/20/95/616222095.db2.gz SXWYTQWAFNJTOJ-UHFFFAOYSA-N 2 2 282.432 0.224 20 0 CCADLP Cn1cc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)c(Cl)n1 ZINC000856768364 616222516 /nfs/dbraw/zinc/22/25/16/616222516.db2.gz FURIFLWKBNUSEC-UHFFFAOYSA-N 2 2 299.806 0.327 20 0 CCADLP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCCc3cn[nH]c32)CC1 ZINC000857853712 616222605 /nfs/dbraw/zinc/22/26/05/616222605.db2.gz VGKDVLFTFMGZTI-ZDUSSCGKSA-N 2 2 291.399 0.541 20 0 CCADLP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCCc3c[nH]nc32)CC1 ZINC000857853712 616222606 /nfs/dbraw/zinc/22/26/06/616222606.db2.gz VGKDVLFTFMGZTI-ZDUSSCGKSA-N 2 2 291.399 0.541 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CC1 ZINC000921607900 616223659 /nfs/dbraw/zinc/22/36/59/616223659.db2.gz CILJRLXMHFVHAU-RBSFLKMASA-N 2 2 295.427 0.555 20 0 CCADLP Cn1cc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cn1 ZINC000877747772 616239317 /nfs/dbraw/zinc/23/93/17/616239317.db2.gz CDEXIIYOJFKWLO-UHFFFAOYSA-N 2 2 277.416 0.632 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000874838626 616258177 /nfs/dbraw/zinc/25/81/77/616258177.db2.gz QGEOFTHKYBUZKL-UPJWGTAASA-N 2 2 267.373 0.012 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000874838626 616258178 /nfs/dbraw/zinc/25/81/78/616258178.db2.gz QGEOFTHKYBUZKL-UPJWGTAASA-N 2 2 267.373 0.012 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)C1 ZINC000874838626 616258179 /nfs/dbraw/zinc/25/81/79/616258179.db2.gz QGEOFTHKYBUZKL-UPJWGTAASA-N 2 2 267.373 0.012 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)C1 ZINC000874838626 616258180 /nfs/dbraw/zinc/25/81/80/616258180.db2.gz QGEOFTHKYBUZKL-UPJWGTAASA-N 2 2 267.373 0.012 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cnn(CCF)c2)C1 ZINC000921999398 616351119 /nfs/dbraw/zinc/35/11/19/616351119.db2.gz UKXZEMSKYPNAOX-GFCCVEGCSA-N 2 2 256.325 0.009 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cnn(CCF)c2)C1 ZINC000921999398 616351121 /nfs/dbraw/zinc/35/11/21/616351121.db2.gz UKXZEMSKYPNAOX-GFCCVEGCSA-N 2 2 256.325 0.009 20 0 CCADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCCn2cc[nH+]c2)C1 ZINC000891554852 616356625 /nfs/dbraw/zinc/35/66/25/616356625.db2.gz BTQLDXZPYVUOOP-RYUDHWBXSA-N 2 2 263.345 0.229 20 0 CCADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NCCn2cc[nH+]c2)C1 ZINC000891554852 616356629 /nfs/dbraw/zinc/35/66/29/616356629.db2.gz BTQLDXZPYVUOOP-RYUDHWBXSA-N 2 2 263.345 0.229 20 0 CCADLP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1nnc2n1CCOC2 ZINC000926271406 616363633 /nfs/dbraw/zinc/36/36/33/616363633.db2.gz HRPMLDAHRDFSGQ-BVUQATHDSA-N 2 2 277.372 0.238 20 0 CCADLP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1nnc2n1CCOC2 ZINC000926271406 616363636 /nfs/dbraw/zinc/36/36/36/616363636.db2.gz HRPMLDAHRDFSGQ-BVUQATHDSA-N 2 2 277.372 0.238 20 0 CCADLP C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@]2(C)C1 ZINC000887924678 616380829 /nfs/dbraw/zinc/38/08/29/616380829.db2.gz VMLHIMAPEQXLDM-IOASZLSFSA-N 2 2 288.395 0.856 20 0 CCADLP C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@]2(C)C1 ZINC000887924678 616380834 /nfs/dbraw/zinc/38/08/34/616380834.db2.gz VMLHIMAPEQXLDM-IOASZLSFSA-N 2 2 288.395 0.856 20 0 CCADLP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3CN(C4CC4)C(=O)O3)C[C@]2(C)C1 ZINC000933734937 616385608 /nfs/dbraw/zinc/38/56/08/616385608.db2.gz YSXHZBRVKGZEKU-KYOSRNDESA-N 2 2 279.384 0.853 20 0 CCADLP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CN(C4CC4)C(=O)O3)C[C@]2(C)C1 ZINC000933734937 616385612 /nfs/dbraw/zinc/38/56/12/616385612.db2.gz YSXHZBRVKGZEKU-KYOSRNDESA-N 2 2 279.384 0.853 20 0 CCADLP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CN(C4CC4)C(=O)O3)C[C@]2(C)C1 ZINC000933734937 616385618 /nfs/dbraw/zinc/38/56/18/616385618.db2.gz YSXHZBRVKGZEKU-KYOSRNDESA-N 2 2 279.384 0.853 20 0 CCADLP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CN(C4CC4)C(=O)O3)C[C@]2(C)C1 ZINC000933734937 616385622 /nfs/dbraw/zinc/38/56/22/616385622.db2.gz YSXHZBRVKGZEKU-KYOSRNDESA-N 2 2 279.384 0.853 20 0 CCADLP COC/C(C)=C\C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000930072585 616387796 /nfs/dbraw/zinc/38/77/96/616387796.db2.gz SJPHAJTZRAQCOZ-XNISGLLXSA-N 2 2 295.427 0.993 20 0 CCADLP COC/C(C)=C\C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000930072585 616387800 /nfs/dbraw/zinc/38/78/00/616387800.db2.gz SJPHAJTZRAQCOZ-XNISGLLXSA-N 2 2 295.427 0.993 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000947755224 616392257 /nfs/dbraw/zinc/39/22/57/616392257.db2.gz YWGQMFDRFMPLNL-NWDGAFQWSA-N 2 2 280.372 0.568 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000947755224 616392262 /nfs/dbraw/zinc/39/22/62/616392262.db2.gz YWGQMFDRFMPLNL-NWDGAFQWSA-N 2 2 280.372 0.568 20 0 CCADLP COC/C=C/C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000865063976 616397444 /nfs/dbraw/zinc/39/74/44/616397444.db2.gz KMFBGYNAICFZBG-ONEGZZNKSA-N 2 2 295.427 0.864 20 0 CCADLP C[N@@H+]1CC[C@H]1CNC(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000925418696 616426892 /nfs/dbraw/zinc/42/68/92/616426892.db2.gz WLPHARNTPNUMGF-RYUDHWBXSA-N 2 2 277.372 0.449 20 0 CCADLP C[N@H+]1CC[C@H]1CNC(=O)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000925418696 616426894 /nfs/dbraw/zinc/42/68/94/616426894.db2.gz WLPHARNTPNUMGF-RYUDHWBXSA-N 2 2 277.372 0.449 20 0 CCADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2CN2CC3(COC3)CC2=O)C1 ZINC000872592592 616448629 /nfs/dbraw/zinc/44/86/29/616448629.db2.gz OVXBNFWMIMXJKS-KBPBESRZSA-N 2 2 293.411 0.609 20 0 CCADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2CN2CC3(COC3)CC2=O)C1 ZINC000872592592 616448634 /nfs/dbraw/zinc/44/86/34/616448634.db2.gz OVXBNFWMIMXJKS-KBPBESRZSA-N 2 2 293.411 0.609 20 0 CCADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2CN2CC3(COC3)CC2=O)C1 ZINC000872592592 616448637 /nfs/dbraw/zinc/44/86/37/616448637.db2.gz OVXBNFWMIMXJKS-KBPBESRZSA-N 2 2 293.411 0.609 20 0 CCADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2CN2CC3(COC3)CC2=O)C1 ZINC000872592592 616448641 /nfs/dbraw/zinc/44/86/41/616448641.db2.gz OVXBNFWMIMXJKS-KBPBESRZSA-N 2 2 293.411 0.609 20 0 CCADLP COC(=O)[C@@H]1[C@@H](C[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1(F)F ZINC000897621858 616503400 /nfs/dbraw/zinc/50/34/00/616503400.db2.gz WXEQZCPYFBHHIH-SRRSOLGSSA-N 2 2 288.338 0.924 20 0 CCADLP COC(=O)[C@@H]1[C@@H](C[N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1(F)F ZINC000897621858 616503404 /nfs/dbraw/zinc/50/34/04/616503404.db2.gz WXEQZCPYFBHHIH-SRRSOLGSSA-N 2 2 288.338 0.924 20 0 CCADLP COC(=O)[C@@H]1[C@@H](C[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)C1(F)F ZINC000897621858 616503407 /nfs/dbraw/zinc/50/34/07/616503407.db2.gz WXEQZCPYFBHHIH-SRRSOLGSSA-N 2 2 288.338 0.924 20 0 CCADLP COC(=O)[C@@H]1[C@@H](C[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)C1(F)F ZINC000897621858 616503411 /nfs/dbraw/zinc/50/34/11/616503411.db2.gz WXEQZCPYFBHHIH-SRRSOLGSSA-N 2 2 288.338 0.924 20 0 CCADLP COC(=O)[C@@H]1[C@H](C[N@@H+](C)CCC[NH+](C)C)C1(F)F ZINC000894765363 616508693 /nfs/dbraw/zinc/50/86/93/616508693.db2.gz ZUPHLPVZFDVOHN-UWVGGRQHSA-N 2 2 264.316 0.924 20 0 CCADLP COC(=O)[C@@H]1[C@H](C[N@H+](C)CCC[NH+](C)C)C1(F)F ZINC000894765363 616508692 /nfs/dbraw/zinc/50/86/92/616508692.db2.gz ZUPHLPVZFDVOHN-UWVGGRQHSA-N 2 2 264.316 0.924 20 0 CCADLP C[NH+]1C[C@]2(C)C[NH+](C[C@H]3CCC(=O)O3)C[C@@]2(C)C1 ZINC000931314218 616514079 /nfs/dbraw/zinc/51/40/79/616514079.db2.gz KKBDQWOMQGZBCF-MRVWCRGKSA-N 2 2 252.358 0.966 20 0 CCADLP COCC[C@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000884183600 616677517 /nfs/dbraw/zinc/67/75/17/616677517.db2.gz RJVJJLSAINTMEI-ZDUSSCGKSA-N 2 2 292.383 0.662 20 0 CCADLP COC[C@H](O)CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925659682 616732866 /nfs/dbraw/zinc/73/28/66/616732866.db2.gz FKQIFZCDDPPXLV-MCIONIFRSA-N 2 2 256.390 0.990 20 0 CCADLP COC[C@H](O)CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925659682 616732871 /nfs/dbraw/zinc/73/28/71/616732871.db2.gz FKQIFZCDDPPXLV-MCIONIFRSA-N 2 2 256.390 0.990 20 0 CCADLP CNC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000879335871 616750729 /nfs/dbraw/zinc/75/07/29/616750729.db2.gz XNEJIRSHLKNBOP-KBPBESRZSA-N 2 2 298.431 0.227 20 0 CCADLP CNC(=O)NC[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000879335871 616750732 /nfs/dbraw/zinc/75/07/32/616750732.db2.gz XNEJIRSHLKNBOP-KBPBESRZSA-N 2 2 298.431 0.227 20 0 CCADLP COC(=O)[C@](C)(Cn1cccn1)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903863404 616751019 /nfs/dbraw/zinc/75/10/19/616751019.db2.gz LNGFQZGRPNGRIY-DYEKYZERSA-N 2 2 280.372 0.532 20 0 CCADLP COC(=O)N(C)CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925716898 616795395 /nfs/dbraw/zinc/79/53/95/616795395.db2.gz RVUDVJSTUPOQOH-NSHDSACASA-N 2 2 255.362 0.949 20 0 CCADLP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000872143930 616861572 /nfs/dbraw/zinc/86/15/72/616861572.db2.gz RQHAIZRFRHZSIY-MELADBBJSA-N 2 2 281.400 0.308 20 0 CCADLP CO[C@H]1C[C@@H](C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000872143930 616861577 /nfs/dbraw/zinc/86/15/77/616861577.db2.gz RQHAIZRFRHZSIY-MELADBBJSA-N 2 2 281.400 0.308 20 0 CCADLP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cnnn2C)CC1 ZINC000924913680 616884725 /nfs/dbraw/zinc/88/47/25/616884725.db2.gz YLECBGZQBMNRIM-LBPRGKRZSA-N 2 2 281.404 0.967 20 0 CCADLP CO[C@@H]1C[C@H]1C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000828140950 616888529 /nfs/dbraw/zinc/88/85/29/616888529.db2.gz IKXIYPKEDFJRRZ-CHWSQXEVSA-N 2 2 290.367 0.807 20 0 CCADLP COC(=O)N[C@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000886850765 616929855 /nfs/dbraw/zinc/92/98/55/616929855.db2.gz RSOLBPKADMPTQN-JTQLQIEISA-N 2 2 252.318 0.393 20 0 CCADLP COC(=O)N[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000886850765 616929857 /nfs/dbraw/zinc/92/98/57/616929857.db2.gz RSOLBPKADMPTQN-JTQLQIEISA-N 2 2 252.318 0.393 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@]2(CO)CCC[C@@H]12 ZINC000886634759 616967719 /nfs/dbraw/zinc/96/77/19/616967719.db2.gz MIVRFZSCANYOJA-RRFJBIMHSA-N 2 2 286.416 0.162 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@]2(CO)CCC[C@@H]12 ZINC000886634759 616967722 /nfs/dbraw/zinc/96/77/22/616967722.db2.gz MIVRFZSCANYOJA-RRFJBIMHSA-N 2 2 286.416 0.162 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@]2(CO)CCC[C@@H]12 ZINC000886634759 616967725 /nfs/dbraw/zinc/96/77/25/616967725.db2.gz MIVRFZSCANYOJA-RRFJBIMHSA-N 2 2 286.416 0.162 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@]2(CO)CCC[C@@H]12 ZINC000886634759 616967728 /nfs/dbraw/zinc/96/77/28/616967728.db2.gz MIVRFZSCANYOJA-RRFJBIMHSA-N 2 2 286.416 0.162 20 0 CCADLP COC(=O)c1cncc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1 ZINC000886589609 616994448 /nfs/dbraw/zinc/99/44/48/616994448.db2.gz ADULOFXFNDFABL-IAQYHMDHSA-N 2 2 293.367 0.585 20 0 CCADLP COC(=O)c1cncc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000886589609 616994451 /nfs/dbraw/zinc/99/44/51/616994451.db2.gz ADULOFXFNDFABL-IAQYHMDHSA-N 2 2 293.367 0.585 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886873876 617001370 /nfs/dbraw/zinc/00/13/70/617001370.db2.gz AAQQKEAAEYHBPH-KBPBESRZSA-N 3 2 255.406 0.422 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886873876 617001376 /nfs/dbraw/zinc/00/13/76/617001376.db2.gz AAQQKEAAEYHBPH-KBPBESRZSA-N 3 2 255.406 0.422 20 0 CCADLP CON(C)C(=O)CC[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000819131470 617015878 /nfs/dbraw/zinc/01/58/78/617015878.db2.gz OAZOHGVMSOYVEF-GFCCVEGCSA-N 2 2 275.418 0.423 20 0 CCADLP CON(C)C(=O)CC[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000819320672 617019410 /nfs/dbraw/zinc/01/94/10/617019410.db2.gz DDBTZXVANDBRJF-VIFPVBQESA-N 2 2 252.318 0.267 20 0 CCADLP CON(C)C(=O)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000895045636 617038122 /nfs/dbraw/zinc/03/81/22/617038122.db2.gz QAINPQPMNVCSAC-CYBMUJFWSA-N 2 2 285.388 0.239 20 0 CCADLP C[NH2+][C@@H](CC(C)C)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000884401574 617045680 /nfs/dbraw/zinc/04/56/80/617045680.db2.gz USHWMCULRRLLNK-MJBXVCDLSA-N 2 2 285.432 0.846 20 0 CCADLP C[NH2+][C@@H](CC(C)C)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000884401574 617045683 /nfs/dbraw/zinc/04/56/83/617045683.db2.gz USHWMCULRRLLNK-MJBXVCDLSA-N 2 2 285.432 0.846 20 0 CCADLP CNc1cc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)nc[nH+]1 ZINC000897219412 617060314 /nfs/dbraw/zinc/06/03/14/617060314.db2.gz KPBDDJPSHKIKAV-RYUDHWBXSA-N 2 2 277.372 0.554 20 0 CCADLP CNc1cc(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)nc[nH+]1 ZINC000897219412 617060318 /nfs/dbraw/zinc/06/03/18/617060318.db2.gz KPBDDJPSHKIKAV-RYUDHWBXSA-N 2 2 277.372 0.554 20 0 CCADLP CNc1cc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)nc[nH+]1 ZINC000894075718 617061242 /nfs/dbraw/zinc/06/12/42/617061242.db2.gz KCEVZZYSKXPBEI-PHIMTYICSA-N 2 2 263.345 0.793 20 0 CCADLP CNc1cc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)nc[nH+]1 ZINC000894075718 617061244 /nfs/dbraw/zinc/06/12/44/617061244.db2.gz KCEVZZYSKXPBEI-PHIMTYICSA-N 2 2 263.345 0.793 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000906094628 617148035 /nfs/dbraw/zinc/14/80/35/617148035.db2.gz OXCZEEBYNMQECL-BQBZGAKWSA-N 2 2 291.277 0.783 20 0 CCADLP CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]12 ZINC001026400063 625431531 /nfs/dbraw/zinc/43/15/31/625431531.db2.gz CVLGOENWVMRHFD-KWCYVHTRSA-N 2 2 276.384 0.809 20 0 CCADLP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001022735729 622708590 /nfs/dbraw/zinc/70/85/90/622708590.db2.gz FHLOOHKPOARKEK-WRWGMCAJSA-N 2 2 262.357 0.780 20 0 CCADLP C[C@@H]1NC(=O)N(CC[N@@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)C1=O ZINC000931319187 625604695 /nfs/dbraw/zinc/60/46/95/625604695.db2.gz XLFRSTAAPFQWEH-TUKIKUTGSA-N 2 2 294.399 0.200 20 0 CCADLP C[C@@H]1NC(=O)N(CC[N@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)C1=O ZINC000931319187 625604697 /nfs/dbraw/zinc/60/46/97/625604697.db2.gz XLFRSTAAPFQWEH-TUKIKUTGSA-N 2 2 294.399 0.200 20 0 CCADLP C[C@@H]1NC(=O)N(CC[NH+]2C[C@@]3(C)C[N@H+](C)C[C@@]3(C)C2)C1=O ZINC000931319187 625604698 /nfs/dbraw/zinc/60/46/98/625604698.db2.gz XLFRSTAAPFQWEH-TUKIKUTGSA-N 2 2 294.399 0.200 20 0 CCADLP C[C@@H]1NC(=O)N(CC[NH+]2C[C@@]3(C)C[N@@H+](C)C[C@@]3(C)C2)C1=O ZINC000931319187 625604699 /nfs/dbraw/zinc/60/46/99/625604699.db2.gz XLFRSTAAPFQWEH-TUKIKUTGSA-N 2 2 294.399 0.200 20 0 CCADLP Cc1nocc1C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001023159573 622931017 /nfs/dbraw/zinc/93/10/17/622931017.db2.gz ZOASPZFHXAOPRK-BETUJISGSA-N 2 2 289.339 0.617 20 0 CCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892566672 623545260 /nfs/dbraw/zinc/54/52/60/623545260.db2.gz LVMKNWQOEYPANM-XDQVBPFNSA-N 2 2 296.415 0.228 20 0 CCADLP O[C@@H](C[NH2+]Cc1cn2ccnc2s1)C[NH+]1CCCC1 ZINC000892669684 623650307 /nfs/dbraw/zinc/65/03/07/623650307.db2.gz JPANIDUBHGUMRB-NSHDSACASA-N 2 2 280.397 0.942 20 0 CCADLP Cc1cc(N)nc(N2CC[NH+](CCOC(C)C)CC2)[nH+]1 ZINC000892764507 623830485 /nfs/dbraw/zinc/83/04/85/623830485.db2.gz IJCCJPABKAENBV-UHFFFAOYSA-N 2 2 279.388 0.914 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[N@H+](CCF)CC1(C)C ZINC000974845410 625679605 /nfs/dbraw/zinc/67/96/05/625679605.db2.gz SUZPMTJSMIPPMS-LBPRGKRZSA-N 2 2 282.363 0.988 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[N@@H+](CCF)CC1(C)C ZINC000974845410 625679608 /nfs/dbraw/zinc/67/96/08/625679608.db2.gz SUZPMTJSMIPPMS-LBPRGKRZSA-N 2 2 282.363 0.988 20 0 CCADLP CC(C)[NH2+][C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001019800696 623910907 /nfs/dbraw/zinc/91/09/07/623910907.db2.gz VIBZDFMOLQBCAY-GJZGRUSLSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1C[NH+](CCF)C1 ZINC000969409319 624497852 /nfs/dbraw/zinc/49/78/52/624497852.db2.gz AJBFWDNNJHCEDI-PWSUYJOCSA-N 2 2 257.353 0.487 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1C[NH+](CCF)C1 ZINC000969409319 624497854 /nfs/dbraw/zinc/49/78/54/624497854.db2.gz AJBFWDNNJHCEDI-PWSUYJOCSA-N 2 2 257.353 0.487 20 0 CCADLP O=C([C@@H]1CCCc2[nH+]c[nH]c21)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969905372 624554793 /nfs/dbraw/zinc/55/47/93/624554793.db2.gz BZCIXLFSLXPWRL-GHMZBOCLSA-N 2 2 278.356 0.012 20 0 CCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC000969949983 624562085 /nfs/dbraw/zinc/56/20/85/624562085.db2.gz CMFNHINSVYUVBX-VXGBXAGGSA-N 2 2 293.371 0.244 20 0 CCADLP C[C@H](CC(=O)N1CC[C@@H]([NH2+]CCO)C1)n1cc[nH+]c1 ZINC000970130118 624612855 /nfs/dbraw/zinc/61/28/55/624612855.db2.gz UIOVFJDUFISJJH-VXGBXAGGSA-N 2 2 266.345 0.017 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]([NH2+]CCC2CC2)C1 ZINC000970482054 624691406 /nfs/dbraw/zinc/69/14/06/624691406.db2.gz ONRXGVJAHIOCGE-CYBMUJFWSA-N 2 2 276.384 0.953 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC1(C[NH3+])CCCCC1 ZINC000891350428 624822207 /nfs/dbraw/zinc/82/22/07/624822207.db2.gz RIPMOJLKGNVUHY-ZDUSSCGKSA-N 2 2 298.431 0.668 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000891529127 624882711 /nfs/dbraw/zinc/88/27/11/624882711.db2.gz UOXNFJYEOJDWBP-ZIAGYGMSSA-N 2 2 297.447 0.145 20 0 CCADLP O=C(NCc1ccn2cc[nH+]c2c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891682548 624903028 /nfs/dbraw/zinc/90/30/28/624903028.db2.gz XZLSDEBXMILMFM-RYUDHWBXSA-N 2 2 271.324 0.590 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnon2)C1 ZINC001022435832 624992789 /nfs/dbraw/zinc/99/27/89/624992789.db2.gz CNTLOFBVLRDHNU-PHIMTYICSA-N 2 2 290.327 0.012 20 0 CCADLP OC[C@H]1CC[NH+]1Cc1cncc(C[N@H+]2CC[C@@H]2CO)c1 ZINC000934014324 625003070 /nfs/dbraw/zinc/00/30/70/625003070.db2.gz BVHPFOFQCMJCHM-HUUCEWRRSA-N 2 2 277.368 0.215 20 0 CCADLP OC[C@H]1CC[NH+]1Cc1cncc(C[N@@H+]2CC[C@@H]2CO)c1 ZINC000934014324 625003071 /nfs/dbraw/zinc/00/30/71/625003071.db2.gz BVHPFOFQCMJCHM-HUUCEWRRSA-N 2 2 277.368 0.215 20 0 CCADLP [NH3+]CCNC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000891976540 625014794 /nfs/dbraw/zinc/01/47/94/625014794.db2.gz NZOLTZWDPAQVDZ-UHFFFAOYSA-N 2 2 295.412 0.393 20 0 CCADLP CC(C)[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027139988 625743123 /nfs/dbraw/zinc/74/31/23/625743123.db2.gz VPQJULQFJMNYOI-NSHDSACASA-N 2 2 250.346 0.799 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H](C[NH2+]CC2CC2)C1 ZINC001027244411 625765825 /nfs/dbraw/zinc/76/58/25/625765825.db2.gz DNTYGLWLURTBET-CYBMUJFWSA-N 2 2 262.357 0.731 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H](C[NH2+]Cc2cccnc2)C1 ZINC001027246210 625767780 /nfs/dbraw/zinc/76/77/80/625767780.db2.gz RXKGNTVNYZIAOC-OAHLLOKOSA-N 2 2 299.378 0.916 20 0 CCADLP Cc1nc(C)c(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)o1 ZINC000257691179 625818216 /nfs/dbraw/zinc/81/82/16/625818216.db2.gz JEXYTAVOLPIDEA-CYBMUJFWSA-N 2 2 264.373 0.771 20 0 CCADLP Cn1nnnc1CCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000903351847 634555247 /nfs/dbraw/zinc/55/52/47/634555247.db2.gz PQXYPIRNHLRLQB-STQMWFEESA-N 2 2 278.404 0.749 20 0 CCADLP Cn1nnnc1CCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000903351847 634555249 /nfs/dbraw/zinc/55/52/49/634555249.db2.gz PQXYPIRNHLRLQB-STQMWFEESA-N 2 2 278.404 0.749 20 0 CCADLP O=S1(=O)CCC[C@@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000903470747 634573074 /nfs/dbraw/zinc/57/30/74/634573074.db2.gz CGIUOVUMMIETLW-RYUDHWBXSA-N 2 2 272.414 0.685 20 0 CCADLP C[C@@H]1CC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)[C@H](C[NH3+])C1 ZINC000903766359 634643249 /nfs/dbraw/zinc/64/32/49/634643249.db2.gz PPNMOFYXICMFGG-LXTVHRRPSA-N 3 2 267.417 0.814 20 0 CCADLP C[C@@H]1CC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)[C@H](C[NH3+])C1 ZINC000903766359 634643258 /nfs/dbraw/zinc/64/32/58/634643258.db2.gz PPNMOFYXICMFGG-LXTVHRRPSA-N 3 2 267.417 0.814 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[NH2+]CCC23CCOCC3)CCO1 ZINC000903818910 634657258 /nfs/dbraw/zinc/65/72/58/634657258.db2.gz XXEBBFXZESNDGX-OAHLLOKOSA-N 2 2 297.443 0.552 20 0 CCADLP [NH3+]C[C@@]12CC[C@H]1CC[N@@H+]2CCCN1CCOCC1 ZINC000903856102 634667913 /nfs/dbraw/zinc/66/79/13/634667913.db2.gz PXNRIWKCLHQANT-KBPBESRZSA-N 2 2 253.390 0.522 20 0 CCADLP [NH3+]C[C@@]12CC[C@H]1CC[N@H+]2CCCN1CCOCC1 ZINC000903856102 634667921 /nfs/dbraw/zinc/66/79/21/634667921.db2.gz PXNRIWKCLHQANT-KBPBESRZSA-N 2 2 253.390 0.522 20 0 CCADLP [NH3+]C[C@@]12CC[C@H]1CCN2CCC[NH+]1CCOCC1 ZINC000903856102 634667925 /nfs/dbraw/zinc/66/79/25/634667925.db2.gz PXNRIWKCLHQANT-KBPBESRZSA-N 2 2 253.390 0.522 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903919026 634686738 /nfs/dbraw/zinc/68/67/38/634686738.db2.gz KLNQRWLDIVKKPU-BZPMIXESSA-N 3 2 278.404 0.290 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[NH2+]CC[C@@H]([NH3+])C(C)C)cnn1C ZINC000903933002 634692531 /nfs/dbraw/zinc/69/25/31/634692531.db2.gz JLFMXSFEBKMMCB-UKRRQHHQSA-N 3 2 281.448 0.809 20 0 CCADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC[C@](F)(CO)C2)cnn1C ZINC000903918085 634695544 /nfs/dbraw/zinc/69/55/44/634695544.db2.gz RQMLRBWGADKLLY-GXTWGEPZSA-N 2 2 284.379 0.252 20 0 CCADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CC[C@](F)(CO)C2)cnn1C ZINC000903918085 634695546 /nfs/dbraw/zinc/69/55/46/634695546.db2.gz RQMLRBWGADKLLY-GXTWGEPZSA-N 2 2 284.379 0.252 20 0 CCADLP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)C1 ZINC000904388625 634737256 /nfs/dbraw/zinc/73/72/56/634737256.db2.gz MGCLDXFJMUVFOB-JXUBOQSCSA-N 3 2 251.296 0.935 20 0 CCADLP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)C1 ZINC000904388625 634737260 /nfs/dbraw/zinc/73/72/60/634737260.db2.gz MGCLDXFJMUVFOB-JXUBOQSCSA-N 3 2 251.296 0.935 20 0 CCADLP C[C@H]1[C@H](NC(=O)NCCn2cc[nH+]c2)CC[N@@H+]1C ZINC000905150312 634810340 /nfs/dbraw/zinc/81/03/40/634810340.db2.gz WTAZSNPHZFCCOH-WDEREUQCSA-N 2 2 251.334 0.275 20 0 CCADLP C[C@H]1[C@H](NC(=O)NCCn2cc[nH+]c2)CC[N@H+]1C ZINC000905150312 634810342 /nfs/dbraw/zinc/81/03/42/634810342.db2.gz WTAZSNPHZFCCOH-WDEREUQCSA-N 2 2 251.334 0.275 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000314257255 630945518 /nfs/dbraw/zinc/94/55/18/630945518.db2.gz ZZOXVLJGUIBNGM-JKSUJKDBSA-N 3 2 299.459 0.390 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000314257255 630945524 /nfs/dbraw/zinc/94/55/24/630945524.db2.gz ZZOXVLJGUIBNGM-JKSUJKDBSA-N 3 2 299.459 0.390 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC[NH+](CCF)CC1 ZINC000981959677 631349935 /nfs/dbraw/zinc/34/99/35/631349935.db2.gz OEBDPIQUUKWMJV-QWHCGFSZSA-N 2 2 271.380 0.688 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC[NH+](CCF)CC1 ZINC000981959677 631349939 /nfs/dbraw/zinc/34/99/39/631349939.db2.gz OEBDPIQUUKWMJV-QWHCGFSZSA-N 2 2 271.380 0.688 20 0 CCADLP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CCC[N@H+](CCF)CC1 ZINC000981959677 631349945 /nfs/dbraw/zinc/34/99/45/631349945.db2.gz OEBDPIQUUKWMJV-QWHCGFSZSA-N 2 2 271.380 0.688 20 0 CCADLP C[C@H]1C[NH+](C)C[C@H]1C(=O)N1CCC[N@@H+](CCF)CC1 ZINC000981959677 631349949 /nfs/dbraw/zinc/34/99/49/631349949.db2.gz OEBDPIQUUKWMJV-QWHCGFSZSA-N 2 2 271.380 0.688 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC2(C1)CCC[N@@H+](CCF)C2 ZINC000982036249 631371487 /nfs/dbraw/zinc/37/14/87/631371487.db2.gz AFHDNJSGRGWDNV-UHFFFAOYSA-N 2 2 280.347 0.846 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC2(C1)CCC[N@H+](CCF)C2 ZINC000982036249 631371492 /nfs/dbraw/zinc/37/14/92/631371492.db2.gz AFHDNJSGRGWDNV-UHFFFAOYSA-N 2 2 280.347 0.846 20 0 CCADLP O=C1O[C@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)CC12CC[NH2+]CC2 ZINC000925849615 631398501 /nfs/dbraw/zinc/39/85/01/631398501.db2.gz QLZXCZBZKXEMAF-QWHCGFSZSA-N 3 2 293.411 0.546 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+]C[C@H]2CCOC2)C1 ZINC000968534105 650019082 /nfs/dbraw/zinc/01/90/82/650019082.db2.gz AJTYWXIWVSEUPG-CHWSQXEVSA-N 2 2 292.383 0.569 20 0 CCADLP C[C@@H]1CCC[N@@H+]1CCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000894310949 631705242 /nfs/dbraw/zinc/70/52/42/631705242.db2.gz XOISXGYSJSPYAK-OLZOCXBDSA-N 2 2 291.399 0.981 20 0 CCADLP C[C@@H]1CCC[N@H+]1CCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000894310949 631705247 /nfs/dbraw/zinc/70/52/47/631705247.db2.gz XOISXGYSJSPYAK-OLZOCXBDSA-N 2 2 291.399 0.981 20 0 CCADLP Cc1noc2ncc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc12 ZINC000894354602 631727536 /nfs/dbraw/zinc/72/75/36/631727536.db2.gz NJKIMQXHJQFREQ-CQSZACIVSA-N 2 2 278.356 0.933 20 0 CCADLP C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000969091920 650039609 /nfs/dbraw/zinc/03/96/09/650039609.db2.gz ATKMHMKQGGHDRJ-CMPLNLGQSA-N 2 2 288.351 0.748 20 0 CCADLP NC(=O)c1c[nH+]ccc1N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000895567511 632104235 /nfs/dbraw/zinc/10/42/35/632104235.db2.gz QQPUXKQFWTTXNC-QWHCGFSZSA-N 2 2 292.408 0.594 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/nfs/dbraw/zinc/85/67/53/638856753.db2.gz LQTVWLDDCJVQEZ-ZDUSSCGKSA-N 2 2 278.400 0.958 20 0 CCADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CC([NH2+]C[C@@H]2CCOC2)C1 ZINC000999473340 638983214 /nfs/dbraw/zinc/98/32/14/638983214.db2.gz LWFKITDUQNRKIZ-DCBWTQNWSA-N 2 2 292.383 0.568 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000999837708 639002276 /nfs/dbraw/zinc/00/22/76/639002276.db2.gz RZAFMTQNSZNTIT-OLZOCXBDSA-N 2 2 280.372 0.235 20 0 CCADLP OCC[NH+]1CCC([NH2+]Cc2cnn(CCF)c2)CC1 ZINC000921700843 639050880 /nfs/dbraw/zinc/05/08/80/639050880.db2.gz XIXRBQPUKGQLRN-UHFFFAOYSA-N 2 2 270.352 0.399 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]([NH2+]C[C@@H](C)O)C1 ZINC001000794735 639167876 /nfs/dbraw/zinc/16/78/76/639167876.db2.gz JGLNDONTRQSNCD-PWSUYJOCSA-N 2 2 280.372 0.222 20 0 CCADLP CC[NH2+][C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001000803429 639170076 /nfs/dbraw/zinc/17/00/76/639170076.db2.gz VNRPMXDQUOXPHF-LLVKDONJSA-N 2 2 250.346 0.861 20 0 CCADLP C[C@@H](O)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001003068640 639500979 /nfs/dbraw/zinc/50/09/79/639500979.db2.gz VSILAFWSNKLNSB-RAIGVLPGSA-N 2 2 292.383 0.475 20 0 CCADLP C[C@@H](O)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001003068640 639500985 /nfs/dbraw/zinc/50/09/85/639500985.db2.gz VSILAFWSNKLNSB-RAIGVLPGSA-N 2 2 292.383 0.475 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](CCCF)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001014992195 650512664 /nfs/dbraw/zinc/51/26/64/650512664.db2.gz WHMIFDRBQFFYSR-QWHCGFSZSA-N 2 2 294.374 0.996 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](CCCF)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001014992195 650512666 /nfs/dbraw/zinc/51/26/66/650512666.db2.gz WHMIFDRBQFFYSR-QWHCGFSZSA-N 2 2 294.374 0.996 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001015029061 650516990 /nfs/dbraw/zinc/51/69/90/650516990.db2.gz UOMIXDMVOZIJAX-NSHDSACASA-N 2 2 280.372 0.950 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001015029061 650516993 /nfs/dbraw/zinc/51/69/93/650516993.db2.gz UOMIXDMVOZIJAX-NSHDSACASA-N 2 2 280.372 0.950 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC1CC[NH+](CCF)CC1 ZINC001004153242 639696830 /nfs/dbraw/zinc/69/68/30/639696830.db2.gz YLZBCTALYLCECP-UHFFFAOYSA-N 2 2 268.336 0.742 20 0 CCADLP COc1cc(OC)nc(NCC[NH+]2CCC([NH3+])CC2)n1 ZINC000321223790 639785839 /nfs/dbraw/zinc/78/58/39/639785839.db2.gz BKCXSWXAUJDSSW-UHFFFAOYSA-N 2 2 281.360 0.329 20 0 CCADLP C[C@@H]1CCC[N@H+](C[C@H](O)COC2CCOCC2)[C@H]1C[NH3+] ZINC000923289319 640072139 /nfs/dbraw/zinc/07/21/39/640072139.db2.gz OTCAMTCVKOPGCT-IPYPFGDCSA-N 2 2 286.416 0.602 20 0 CCADLP C[C@@H]1CCC[N@@H+](C[C@H](O)COC2CCOCC2)[C@H]1C[NH3+] ZINC000923289319 640072147 /nfs/dbraw/zinc/07/21/47/640072147.db2.gz OTCAMTCVKOPGCT-IPYPFGDCSA-N 2 2 286.416 0.602 20 0 CCADLP COC[C@@H](C)[NH+]1CCC(N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001006064012 640105566 /nfs/dbraw/zinc/10/55/66/640105566.db2.gz JFXGAMOOZRDVBQ-GFCCVEGCSA-N 2 2 294.399 0.910 20 0 CCADLP [NH3+][C@H]1CCCCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923411179 640127306 /nfs/dbraw/zinc/12/73/06/640127306.db2.gz MITGYBZDPBBXFB-QWHCGFSZSA-N 3 2 253.390 0.568 20 0 CCADLP [NH3+][C@H]1CCCCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923411179 640127309 /nfs/dbraw/zinc/12/73/09/640127309.db2.gz MITGYBZDPBBXFB-QWHCGFSZSA-N 3 2 253.390 0.568 20 0 CCADLP O=C1NCC[C@@H]2CCC[N@H+](CCC[NH2+]C3CC3)[C@@H]12 ZINC000923425882 640131063 /nfs/dbraw/zinc/13/10/63/640131063.db2.gz KBAMDZLSAVGKCX-WCQYABFASA-N 2 2 251.374 0.729 20 0 CCADLP O=C1NCC[C@@H]2CCC[N@@H+](CCC[NH2+]C3CC3)[C@@H]12 ZINC000923425882 640131072 /nfs/dbraw/zinc/13/10/72/640131072.db2.gz KBAMDZLSAVGKCX-WCQYABFASA-N 2 2 251.374 0.729 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)[C@@H]1C ZINC000923420964 640135642 /nfs/dbraw/zinc/13/56/42/640135642.db2.gz AAWJSIGEHYRLJI-SYQHCUMBSA-N 3 2 267.417 0.813 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)[C@@H]1C ZINC000923420964 640135646 /nfs/dbraw/zinc/13/56/46/640135646.db2.gz AAWJSIGEHYRLJI-SYQHCUMBSA-N 3 2 267.417 0.813 20 0 CCADLP [NH3+][C@]1(CO)CCC[N@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000923471310 640151559 /nfs/dbraw/zinc/15/15/59/640151559.db2.gz CXTLFTASIALUOR-CHWSQXEVSA-N 2 2 254.374 0.874 20 0 CCADLP [NH3+][C@]1(CO)CCC[N@@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000923471310 640151565 /nfs/dbraw/zinc/15/15/65/640151565.db2.gz CXTLFTASIALUOR-CHWSQXEVSA-N 2 2 254.374 0.874 20 0 CCADLP [NH3+][C@@]1(CO)CCC[N@H+](CCC(=O)NCC2CCCCC2)C1 ZINC000923476098 640156030 /nfs/dbraw/zinc/15/60/30/640156030.db2.gz GPSLYHLOMOLAIO-INIZCTEOSA-N 2 2 297.443 0.859 20 0 CCADLP [NH3+][C@@]1(CO)CCC[N@@H+](CCC(=O)NCC2CCCCC2)C1 ZINC000923476098 640156035 /nfs/dbraw/zinc/15/60/35/640156035.db2.gz GPSLYHLOMOLAIO-INIZCTEOSA-N 2 2 297.443 0.859 20 0 CCADLP O=C1N[C@H](C2CC[NH+](C[C@H]3CCC[NH2+]3)CC2)CO1 ZINC000923526708 640177441 /nfs/dbraw/zinc/17/74/41/640177441.db2.gz SWFQIVIQNPYXGO-NEPJUHHUSA-N 2 2 253.346 0.559 20 0 CCADLP C[C@@H](O)C[NH+]1CCC(N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001006192988 640199518 /nfs/dbraw/zinc/19/95/18/640199518.db2.gz PMLBGNDUHGLUGV-LLVKDONJSA-N 2 2 280.372 0.256 20 0 CCADLP O=C1CC[C@@H]([NH+]2CCC(Nc3cccc[nH+]3)CC2)C(=O)N1 ZINC000799149717 640549643 /nfs/dbraw/zinc/54/96/43/640549643.db2.gz YWHODOHJIXRYMC-GFCCVEGCSA-N 2 2 288.351 0.763 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCc1cnn(C)n1 ZINC000815639568 641117449 /nfs/dbraw/zinc/11/74/49/641117449.db2.gz BHVHBGMSHKTYMX-FZMZJTMJSA-N 2 2 263.389 0.820 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCc1cnn(C)n1 ZINC000815639568 641117454 /nfs/dbraw/zinc/11/74/54/641117454.db2.gz BHVHBGMSHKTYMX-FZMZJTMJSA-N 2 2 263.389 0.820 20 0 CCADLP O[C@H](C[NH2+]CCn1cc[nH+]c1)c1ccc(F)cn1 ZINC000818956871 641369231 /nfs/dbraw/zinc/36/92/31/641369231.db2.gz AOPNOKCFDXBDMQ-GFCCVEGCSA-N 2 2 250.277 0.740 20 0 CCADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cccc(-c2nn[nH]n2)c1 ZINC000824570154 641832455 /nfs/dbraw/zinc/83/24/55/641832455.db2.gz LNTLGBQSLYLWMT-GWCFXTLKSA-N 2 2 290.371 0.440 20 0 CCADLP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)o1 ZINC001016253409 650705651 /nfs/dbraw/zinc/70/56/51/650705651.db2.gz YYIJHIAYCURJLL-ZDUSSCGKSA-N 2 2 292.383 0.769 20 0 CCADLP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)o1 ZINC001016253409 650705654 /nfs/dbraw/zinc/70/56/54/650705654.db2.gz YYIJHIAYCURJLL-ZDUSSCGKSA-N 2 2 292.383 0.769 20 0 CCADLP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000828591619 642107888 /nfs/dbraw/zinc/10/78/88/642107888.db2.gz MQUYRLUSZXHVOT-WDEREUQCSA-N 2 2 250.346 0.751 20 0 CCADLP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC000828591619 642107894 /nfs/dbraw/zinc/10/78/94/642107894.db2.gz MQUYRLUSZXHVOT-WDEREUQCSA-N 2 2 250.346 0.751 20 0 CCADLP C[C@H](NC(=O)C[C@@H]([NH3+])C1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000828772764 642118209 /nfs/dbraw/zinc/11/82/09/642118209.db2.gz WVDHDIMNDKXAAG-GMXVVIOVSA-N 2 2 269.389 0.339 20 0 CCADLP [NH3+][C@H](CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1CC1 ZINC000831443836 642364357 /nfs/dbraw/zinc/36/43/57/642364357.db2.gz POGNHNSVYABMLC-QWHCGFSZSA-N 2 2 274.368 0.904 20 0 CCADLP C[C@@H](O)C[NH+]1CCC2(C[C@H]2NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001016849824 650766153 /nfs/dbraw/zinc/76/61/53/650766153.db2.gz FUHGAKDBIXSIQC-DGCLKSJQSA-N 2 2 292.383 0.304 20 0 CCADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000867094085 642537253 /nfs/dbraw/zinc/53/72/53/642537253.db2.gz ZUWFUWXQSKHMPF-ZWNOBZJWSA-N 2 2 280.372 0.632 20 0 CCADLP O=C(CC[NH+]1CCOCC1)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000834600281 642613294 /nfs/dbraw/zinc/61/32/94/642613294.db2.gz QANOJDSAPPQUTL-KGLIPLIRSA-N 2 2 299.390 0.353 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000841058478 642801817 /nfs/dbraw/zinc/80/18/17/642801817.db2.gz HQURSVCYVNJRKJ-BXUZGUMPSA-N 2 2 277.368 0.638 20 0 CCADLP O=C(CO[C@@H]1CCC[NH2+]C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000844188270 643175796 /nfs/dbraw/zinc/17/57/96/643175796.db2.gz WOFMIYQLPBYOKO-CYBMUJFWSA-N 2 2 292.383 0.884 20 0 CCADLP O=C(CO[C@@H]1CCC[NH2+]C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000844188270 643175806 /nfs/dbraw/zinc/17/58/06/643175806.db2.gz WOFMIYQLPBYOKO-CYBMUJFWSA-N 2 2 292.383 0.884 20 0 CCADLP O=C(CO[C@H]1CCC[NH2+]C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000844188271 643176472 /nfs/dbraw/zinc/17/64/72/643176472.db2.gz WOFMIYQLPBYOKO-ZDUSSCGKSA-N 2 2 292.383 0.884 20 0 CCADLP O=C(CO[C@H]1CCC[NH2+]C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000844188271 643176477 /nfs/dbraw/zinc/17/64/77/643176477.db2.gz WOFMIYQLPBYOKO-ZDUSSCGKSA-N 2 2 292.383 0.884 20 0 CCADLP C[C@@](C[NH3+])([NH2+]CC(=O)NCc1ccccn1)C1CC1 ZINC000844220672 643184902 /nfs/dbraw/zinc/18/49/02/643184902.db2.gz JHTHSJNFXFPFFR-AWEZNQCLSA-N 2 2 262.357 0.415 20 0 CCADLP CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001017780773 650821389 /nfs/dbraw/zinc/82/13/89/650821389.db2.gz RQEPJZXHUWBCMN-BETUJISGSA-N 2 2 262.357 0.968 20 0 CCADLP CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001017780773 650821390 /nfs/dbraw/zinc/82/13/90/650821390.db2.gz RQEPJZXHUWBCMN-BETUJISGSA-N 2 2 262.357 0.968 20 0 CCADLP O=C1N=NCN1C1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000846883749 643466790 /nfs/dbraw/zinc/46/67/90/643466790.db2.gz MVFHLBCEBTVRMK-CYBMUJFWSA-N 2 2 295.387 0.077 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]cn1C ZINC001018176487 650847035 /nfs/dbraw/zinc/84/70/35/650847035.db2.gz JDBMDBXHAMWIFT-UPJWGTAASA-N 2 2 292.383 0.019 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]cn1C ZINC001018176487 650847036 /nfs/dbraw/zinc/84/70/36/650847036.db2.gz JDBMDBXHAMWIFT-UPJWGTAASA-N 2 2 292.383 0.019 20 0 CCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000848428589 643635425 /nfs/dbraw/zinc/63/54/25/643635425.db2.gz DLHMZJYMLPDXIN-SWLSCSKDSA-N 2 2 274.368 0.800 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000852846654 644021005 /nfs/dbraw/zinc/02/10/05/644021005.db2.gz JITAKQIMFFHJNN-LBPRGKRZSA-N 3 2 270.421 0.127 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000852846654 644021009 /nfs/dbraw/zinc/02/10/09/644021009.db2.gz JITAKQIMFFHJNN-LBPRGKRZSA-N 3 2 270.421 0.127 20 0 CCADLP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000852853709 644024343 /nfs/dbraw/zinc/02/43/43/644024343.db2.gz ONOSLSNYNIHVCF-YPMHNXCESA-N 2 2 267.373 0.060 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000857101977 644465079 /nfs/dbraw/zinc/46/50/79/644465079.db2.gz BUGKRUURPPQCFB-UWVGGRQHSA-N 2 2 251.334 0.234 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000857111215 644470787 /nfs/dbraw/zinc/47/07/87/644470787.db2.gz GDNXNTWATQRBBC-NSHDSACASA-N 2 2 253.350 0.652 20 0 CCADLP O=C1OC[C@@H]2C[N@H+](Cc3ccnn3-c3cc[nH+]cc3)C[C@H]12 ZINC000862546854 645005586 /nfs/dbraw/zinc/00/55/86/645005586.db2.gz RYWDCUQVUXMWEL-FZMZJTMJSA-N 2 2 284.319 0.872 20 0 CCADLP O=C1OC[C@@H]2C[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C[C@H]12 ZINC000862546854 645005590 /nfs/dbraw/zinc/00/55/90/645005590.db2.gz RYWDCUQVUXMWEL-FZMZJTMJSA-N 2 2 284.319 0.872 20 0 CCADLP Cc1ccc([C@H](O)C[NH2+]C[C@H](O)C[NH+]2CCCC2)o1 ZINC000863560899 645106236 /nfs/dbraw/zinc/10/62/36/645106236.db2.gz AZBQAHLCYYSGBH-QWHCGFSZSA-N 2 2 268.357 0.668 20 0 CCADLP Cn1cc(C[NH2+][C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)cn1 ZINC001019564298 650988674 /nfs/dbraw/zinc/98/86/74/650988674.db2.gz JEOGTKYGUXYJGK-LBPRGKRZSA-N 2 2 288.355 0.076 20 0 CCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(N)=[NH2+])C2)c1 ZINC000864358074 645217420 /nfs/dbraw/zinc/21/74/20/645217420.db2.gz HFPAUUDRFPVNPW-CYBMUJFWSA-N 2 2 262.357 0.679 20 0 CCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(N)=[NH2+])C2)c1 ZINC000864358074 645217422 /nfs/dbraw/zinc/21/74/22/645217422.db2.gz HFPAUUDRFPVNPW-CYBMUJFWSA-N 2 2 262.357 0.679 20 0 CCADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000865605358 645390577 /nfs/dbraw/zinc/39/05/77/645390577.db2.gz SXLNYJDAOGCIQX-BGTMTDRBSA-N 2 2 293.411 0.475 20 0 CCADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000865605358 645390586 /nfs/dbraw/zinc/39/05/86/645390586.db2.gz SXLNYJDAOGCIQX-BGTMTDRBSA-N 2 2 293.411 0.475 20 0 CCADLP C[C@H](O)[C@@H](O)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000865739850 645409680 /nfs/dbraw/zinc/40/96/80/645409680.db2.gz WOBGFGLJINUDBQ-CABZTGNLSA-N 2 2 267.354 0.765 20 0 CCADLP CC(C)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001019868985 651011787 /nfs/dbraw/zinc/01/17/87/651011787.db2.gz PEBMSEAKHGLTMJ-LBPRGKRZSA-N 2 2 250.346 0.730 20 0 CCADLP C[C@@H](NC(=O)/C=C/C[NH+]1CCOCC1)C(C)(C)C[NH+](C)C ZINC000866059311 645471323 /nfs/dbraw/zinc/47/13/23/645471323.db2.gz MHBIQTHJGLYDHI-PSKZRQQASA-N 2 2 297.443 0.967 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCCNc2cccc[nH+]2)C1 ZINC000870861586 646029121 /nfs/dbraw/zinc/02/91/21/646029121.db2.gz DCWGDEQIXPBQFG-MISXGVKJSA-N 2 2 260.341 0.737 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@H]1CC[C@@H]([NH3+])CC1)[NH+]1CCOCC1 ZINC000870882461 646034675 /nfs/dbraw/zinc/03/46/75/646034675.db2.gz NRPDKNPIIKZQSX-RFQIPJPRSA-N 2 2 283.416 0.729 20 0 CCADLP [NH3+]CC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC000872146180 646212200 /nfs/dbraw/zinc/21/22/00/646212200.db2.gz HOCRDOAQLMYZTK-JHJVBQTASA-N 2 2 269.389 0.077 20 0 CCADLP [NH3+]CC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC000872146180 646212205 /nfs/dbraw/zinc/21/22/05/646212205.db2.gz HOCRDOAQLMYZTK-JHJVBQTASA-N 2 2 269.389 0.077 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)c1ccnn1C ZINC000873276799 646368788 /nfs/dbraw/zinc/36/87/88/646368788.db2.gz XAWJTUDWYIHJLS-UTUOFQBUSA-N 2 2 252.362 0.838 20 0 CCADLP [NH3+]C[C@@H](NC(=O)/C=C\C[NH+]1CCOCC1)C1CCCCC1 ZINC000876532133 646621407 /nfs/dbraw/zinc/62/14/07/646621407.db2.gz BYEKDAYKNADQKP-IJVDHGTGSA-N 2 2 295.427 0.899 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)/C=C\C[NH+]2CCOCC2)CC[NH2+]1 ZINC000876835658 646677604 /nfs/dbraw/zinc/67/76/04/646677604.db2.gz ZHCNIPAZHFXPES-FAQRPARDSA-N 2 2 267.373 0.132 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000877434371 646814583 /nfs/dbraw/zinc/81/45/83/646814583.db2.gz QLKGKGGXRSDXDP-ZDUSSCGKSA-N 2 2 295.427 0.875 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000877434371 646814586 /nfs/dbraw/zinc/81/45/86/646814586.db2.gz QLKGKGGXRSDXDP-ZDUSSCGKSA-N 2 2 295.427 0.875 20 0 CCADLP Cc1n[nH]cc1C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000877747521 646838265 /nfs/dbraw/zinc/83/82/65/646838265.db2.gz OXPCTTGQHJCCPY-UHFFFAOYSA-N 2 2 277.416 0.930 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000878549237 646934047 /nfs/dbraw/zinc/93/40/47/646934047.db2.gz HBTNRFOPJRDBMY-PWSUYJOCSA-N 2 2 264.329 0.393 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000878549237 646934049 /nfs/dbraw/zinc/93/40/49/646934049.db2.gz HBTNRFOPJRDBMY-PWSUYJOCSA-N 2 2 264.329 0.393 20 0 CCADLP Nc1nnc([C@H]2CCC[N@H+](C[C@@H](O)C[NH+]3CCCC3)C2)o1 ZINC000878946964 647002301 /nfs/dbraw/zinc/00/23/01/647002301.db2.gz HMMAYARDOPCNAJ-RYUDHWBXSA-N 2 2 295.387 0.288 20 0 CCADLP Nc1nnc([C@H]2CCC[N@@H+](C[C@@H](O)C[NH+]3CCCC3)C2)o1 ZINC000878946964 647002304 /nfs/dbraw/zinc/00/23/04/647002304.db2.gz HMMAYARDOPCNAJ-RYUDHWBXSA-N 2 2 295.387 0.288 20 0 CCADLP NC(=O)[C@H](F)C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000879042680 647018450 /nfs/dbraw/zinc/01/84/50/647018450.db2.gz UIDCLMOTQPLWQC-GFCCVEGCSA-N 2 2 268.336 0.809 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCC([C@H](F)C(N)=O)CC1 ZINC000879045467 647019184 /nfs/dbraw/zinc/01/91/84/647019184.db2.gz YCWCWMNDKUOUKA-LBPRGKRZSA-N 2 2 268.336 0.727 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[C@H]3[C@H]2CCC[NH+]3C)CCO1 ZINC000880136860 647159113 /nfs/dbraw/zinc/15/91/13/647159113.db2.gz UAWYEAMWHBGHOH-QLFBSQMISA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[C@H]3[C@H]2CCC[NH+]3C)CCO1 ZINC000880136860 647159114 /nfs/dbraw/zinc/15/91/14/647159114.db2.gz UAWYEAMWHBGHOH-QLFBSQMISA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[C@H]3[C@H]2CCC[N@@H+]3C)CCO1 ZINC000880136860 647159115 /nfs/dbraw/zinc/15/91/15/647159115.db2.gz UAWYEAMWHBGHOH-QLFBSQMISA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[C@H]3[C@H]2CCC[N@H+]3C)CCO1 ZINC000880136860 647159117 /nfs/dbraw/zinc/15/91/17/647159117.db2.gz UAWYEAMWHBGHOH-QLFBSQMISA-N 2 2 267.417 0.876 20 0 CCADLP O=C1C[C@@H](C[N@@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)CN1 ZINC000880207319 647170283 /nfs/dbraw/zinc/17/02/83/647170283.db2.gz XZKILLFCTUYPCZ-TZMCWYRMSA-N 2 2 281.400 0.356 20 0 CCADLP O=C1C[C@@H](C[N@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)CN1 ZINC000880207319 647170294 /nfs/dbraw/zinc/17/02/94/647170294.db2.gz XZKILLFCTUYPCZ-TZMCWYRMSA-N 2 2 281.400 0.356 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCCCN2CC[NH2+]CC2)c[nH+]1 ZINC000884005809 647606718 /nfs/dbraw/zinc/60/67/18/647606718.db2.gz VVPNSIFDBPIHSU-UHFFFAOYSA-N 2 2 293.415 0.338 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000218878366 647942750 /nfs/dbraw/zinc/94/27/50/647942750.db2.gz LBQYANFJOPMGEO-QJPTWQEYSA-N 2 2 250.346 0.905 20 0 CCADLP C[C@@H]1CC2(CC([NH2+]CC(=O)N3CC[NH+](C)CC3)C2)CO1 ZINC000924839405 648382922 /nfs/dbraw/zinc/38/29/22/648382922.db2.gz MLGRYKTZVJJUQQ-DNOWBOINSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC[N@@H+]1C ZINC000925342611 648421840 /nfs/dbraw/zinc/42/18/40/648421840.db2.gz CEAYLFYUWVDCGU-CKYFFXLPSA-N 2 2 263.345 0.200 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC[N@H+]1C ZINC000925342611 648421842 /nfs/dbraw/zinc/42/18/42/648421842.db2.gz CEAYLFYUWVDCGU-CKYFFXLPSA-N 2 2 263.345 0.200 20 0 CCADLP NC(=O)c1ccc(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc1 ZINC000925508172 648439612 /nfs/dbraw/zinc/43/96/12/648439612.db2.gz ZDDYHGLZMNZCMD-LXFSFDBISA-N 2 2 271.364 0.872 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000925667254 648452417 /nfs/dbraw/zinc/45/24/17/648452417.db2.gz BPKYFRXRLGYTTQ-YNEHKIRRSA-N 2 2 289.445 0.531 20 0 CCADLP [NH3+][C@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCNCC2)C12CCC2 ZINC000925840018 648465475 /nfs/dbraw/zinc/46/54/75/648465475.db2.gz FQTMTOMVIUZXGH-LSDHHAIUSA-N 3 2 280.460 0.921 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cnnn1C ZINC000926288655 648495412 /nfs/dbraw/zinc/49/54/12/648495412.db2.gz WIVIZFQIEMDDCP-OLZOCXBDSA-N 2 2 281.404 0.967 20 0 CCADLP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927105591 648544346 /nfs/dbraw/zinc/54/43/46/648544346.db2.gz LAFAQNRIWIWTMT-IPYPFGDCSA-N 2 2 295.427 0.887 20 0 CCADLP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000927105591 648544349 /nfs/dbraw/zinc/54/43/49/648544349.db2.gz LAFAQNRIWIWTMT-IPYPFGDCSA-N 2 2 295.427 0.887 20 0 CCADLP C[N@@H+]1CC[C@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC000928560161 648649791 /nfs/dbraw/zinc/64/97/91/648649791.db2.gz OVXZLPNRBCQBMB-ZDUSSCGKSA-N 2 2 269.389 0.309 20 0 CCADLP C[N@H+]1CC[C@H]1CNC(=O)CCCC[NH+]1CCOCC1 ZINC000928560161 648649794 /nfs/dbraw/zinc/64/97/94/648649794.db2.gz OVXZLPNRBCQBMB-ZDUSSCGKSA-N 2 2 269.389 0.309 20 0 CCADLP CS(=O)(=O)N1CC(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000929803915 648794552 /nfs/dbraw/zinc/79/45/52/648794552.db2.gz QGOBWECLSBHEKX-UHFFFAOYSA-N 2 2 298.412 0.481 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CCO[C@H]2CCOC2)CC1 ZINC000930068278 648818583 /nfs/dbraw/zinc/81/85/83/648818583.db2.gz SQSGCKGBIJFKJX-ZDUSSCGKSA-N 2 2 280.372 0.348 20 0 CCADLP C[C@H](O)[C@H](O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000930129461 648827663 /nfs/dbraw/zinc/82/76/63/648827663.db2.gz PPQBFMBTYHTGEQ-WCQYABFASA-N 2 2 265.357 0.700 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1[C@H](C)C(=O)N[C@H](C)[C@H]1C ZINC000930839360 648914588 /nfs/dbraw/zinc/91/45/88/648914588.db2.gz WQYYAOBYXSYARU-GMTAPVOTSA-N 2 2 250.346 0.789 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1[C@H](C)C(=O)N[C@H](C)[C@H]1C ZINC000930839360 648914590 /nfs/dbraw/zinc/91/45/90/648914590.db2.gz WQYYAOBYXSYARU-GMTAPVOTSA-N 2 2 250.346 0.789 20 0 CCADLP O[C@@H]1CC[N@@H+](C2CC[NH+](CCO[C@H]3CCOC3)CC2)C1 ZINC000931065971 648942289 /nfs/dbraw/zinc/94/22/89/648942289.db2.gz GPKVRANUTYEBJS-CABCVRRESA-N 2 2 284.400 0.323 20 0 CCADLP O[C@@H]1CC[N@H+](C2CC[NH+](CCO[C@H]3CCOC3)CC2)C1 ZINC000931065971 648942292 /nfs/dbraw/zinc/94/22/92/648942292.db2.gz GPKVRANUTYEBJS-CABCVRRESA-N 2 2 284.400 0.323 20 0 CCADLP C[C@@H](c1ncccn1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931480297 648994604 /nfs/dbraw/zinc/99/46/04/648994604.db2.gz SUXWNTIAWUGGHX-LBPRGKRZSA-N 2 2 264.373 0.926 20 0 CCADLP Nc1cc[nH+]c2c1C[N@H+](CC[C@H]1CCNC1=O)CC2 ZINC000931518630 649000661 /nfs/dbraw/zinc/00/06/61/649000661.db2.gz QCSXVBPKQCOQNM-SNVBAGLBSA-N 2 2 260.341 0.548 20 0 CCADLP Nc1cc[nH+]c2c1C[N@@H+](CC[C@H]1CCNC1=O)CC2 ZINC000931518630 649000662 /nfs/dbraw/zinc/00/06/62/649000662.db2.gz QCSXVBPKQCOQNM-SNVBAGLBSA-N 2 2 260.341 0.548 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000933721179 649138527 /nfs/dbraw/zinc/13/85/27/649138527.db2.gz BQDRTQBHLSFRJA-TXEJJXNPSA-N 2 2 269.370 0.168 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000933721179 649138530 /nfs/dbraw/zinc/13/85/30/649138530.db2.gz BQDRTQBHLSFRJA-TXEJJXNPSA-N 2 2 269.370 0.168 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CCCO ZINC000947931044 649355891 /nfs/dbraw/zinc/35/58/91/649355891.db2.gz YYLWYCIJYZSXJW-CHWSQXEVSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1CCCO ZINC000947931044 649355892 /nfs/dbraw/zinc/35/58/92/649355892.db2.gz YYLWYCIJYZSXJW-CHWSQXEVSA-N 2 2 294.399 0.314 20 0 CCADLP O=C(c1ccn2c[nH+]cc2c1)N1CC[NH+](CCCO)CC1 ZINC000949118024 649412599 /nfs/dbraw/zinc/41/25/99/649412599.db2.gz WRDFOXPBXLIPKV-UHFFFAOYSA-N 2 2 288.351 0.475 20 0 CCADLP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CC[NH+](CCCO)CC1 ZINC000949472758 649425925 /nfs/dbraw/zinc/42/59/25/649425925.db2.gz KLQPPFWCWDXQLR-OAHLLOKOSA-N 2 2 295.427 0.387 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CCO1 ZINC000252413493 649825555 /nfs/dbraw/zinc/82/55/55/649825555.db2.gz DBVTVGHGGYAYIU-QLFBSQMISA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CCO1 ZINC000252413493 649825556 /nfs/dbraw/zinc/82/55/56/649825556.db2.gz DBVTVGHGGYAYIU-QLFBSQMISA-N 2 2 295.427 0.698 20 0 CCADLP Cc1cc(N2CCN3CC[NH2+]C[C@H]3C2)nc(C2CC2)[nH+]1 ZINC001164405908 718841141 /nfs/dbraw/zinc/84/11/41/718841141.db2.gz QQRGSYOPCPTMIW-ZDUSSCGKSA-N 2 2 273.384 0.756 20 0 CCADLP Cc1nc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c2c([nH+]1)CCC2 ZINC001164671461 719421320 /nfs/dbraw/zinc/42/13/20/719421320.db2.gz PLWCLNZJFNBKGQ-KGLIPLIRSA-N 2 2 274.368 0.793 20 0 CCADLP Cc1nc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c2c([nH+]1)CCC2 ZINC001164671461 719421324 /nfs/dbraw/zinc/42/13/24/719421324.db2.gz PLWCLNZJFNBKGQ-KGLIPLIRSA-N 2 2 274.368 0.793 20 0 CCADLP C[C@@H]1C(=O)NCCN1c1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001165035662 721883072 /nfs/dbraw/zinc/88/30/72/721883072.db2.gz HJULCASPAWTQEY-GFCCVEGCSA-N 2 2 289.383 0.158 20 0 CCADLP COC(=O)[C@@H](C)C[NH+]1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001208727048 790452300 /nfs/dbraw/zinc/45/23/00/790452300.db2.gz WOJXNZNXAAMMQR-AWEZNQCLSA-N 2 2 297.443 0.755 20 0 CCADLP COCC[NH2+]CC1(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001167331533 790904489 /nfs/dbraw/zinc/90/44/89/790904489.db2.gz OXGPFYKOSSMTKX-UHFFFAOYSA-N 2 2 280.372 0.475 20 0 CCADLP CC[NH2+]CC1(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001167331364 790905470 /nfs/dbraw/zinc/90/54/70/790905470.db2.gz HQLHWQZFMOFNET-UHFFFAOYSA-N 2 2 250.346 0.848 20 0 CCADLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3c[nH]c(=O)[nH]c3=O)C[C@@H]2C1 ZINC001231701479 805834651 /nfs/dbraw/zinc/83/46/51/805834651.db2.gz PEVPJNHGOXAJCZ-NWDGAFQWSA-N 2 2 294.355 0.040 20 0 CCADLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3c[nH]c(=O)[nH]c3=O)C[C@@H]2C1 ZINC001231701479 805834659 /nfs/dbraw/zinc/83/46/59/805834659.db2.gz PEVPJNHGOXAJCZ-NWDGAFQWSA-N 2 2 294.355 0.040 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3c[nH]c(=O)[nH]c3=O)C[C@@H]2C1 ZINC001231701479 805834669 /nfs/dbraw/zinc/83/46/69/805834669.db2.gz PEVPJNHGOXAJCZ-NWDGAFQWSA-N 2 2 294.355 0.040 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3c[nH]c(=O)[nH]c3=O)C[C@@H]2C1 ZINC001231701479 805834678 /nfs/dbraw/zinc/83/46/78/805834678.db2.gz PEVPJNHGOXAJCZ-NWDGAFQWSA-N 2 2 294.355 0.040 20 0 CCADLP COCc1nc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)no1 ZINC001277607589 805895585 /nfs/dbraw/zinc/89/55/85/805895585.db2.gz RPSHQIKXAYHGFR-TXEJJXNPSA-N 2 2 280.372 0.990 20 0 CCADLP COCc1nc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)no1 ZINC001277607589 805895593 /nfs/dbraw/zinc/89/55/93/805895593.db2.gz RPSHQIKXAYHGFR-TXEJJXNPSA-N 2 2 280.372 0.990 20 0 CCADLP COCc1nc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)no1 ZINC001277607589 805895601 /nfs/dbraw/zinc/89/56/01/805895601.db2.gz RPSHQIKXAYHGFR-TXEJJXNPSA-N 2 2 280.372 0.990 20 0 CCADLP COCc1nc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)no1 ZINC001277607589 805895608 /nfs/dbraw/zinc/89/56/08/805895608.db2.gz RPSHQIKXAYHGFR-TXEJJXNPSA-N 2 2 280.372 0.990 20 0 CCADLP Cc1nc(-n2cc(C[NH3+])cn2)cc(N2CCOCC2)[nH+]1 ZINC001168254177 814926084 /nfs/dbraw/zinc/92/60/84/814926084.db2.gz HDFSYHVVLTZORM-UHFFFAOYSA-N 2 2 274.328 0.266 20 0 CCADLP CCN(C)c1cc(C)[nH+]c(N2C[C@@H]3C[N@@H+](C)C[C@H](C2)O3)n1 ZINC001277737589 805999097 /nfs/dbraw/zinc/99/90/97/805999097.db2.gz BOUKMTCRXTXVTP-BETUJISGSA-N 2 2 291.399 0.760 20 0 CCADLP CCN(C)c1cc(C)[nH+]c(N2C[C@@H]3C[N@H+](C)C[C@H](C2)O3)n1 ZINC001277737589 805999105 /nfs/dbraw/zinc/99/91/05/805999105.db2.gz BOUKMTCRXTXVTP-BETUJISGSA-N 2 2 291.399 0.760 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCCO)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001277765103 806023890 /nfs/dbraw/zinc/02/38/90/806023890.db2.gz ZOKXTALYHYRPHR-NWDGAFQWSA-N 2 2 280.372 0.304 20 0 CCADLP Cc1cc(C[NH2+]CCN(C)C(=O)Cn2c[nH+]cc2C)on1 ZINC001266775409 791229613 /nfs/dbraw/zinc/22/96/13/791229613.db2.gz WXEKUDZITLIUIW-UHFFFAOYSA-N 2 2 291.355 0.736 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000723881706 791308963 /nfs/dbraw/zinc/30/89/63/791308963.db2.gz CYMRAGUYWFXQBH-WDEREUQCSA-N 2 2 262.419 0.787 20 0 CCADLP CN(CC[NH2+]CC1CCOCC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001266911941 791340486 /nfs/dbraw/zinc/34/04/86/791340486.db2.gz WYOWSWSESBQNDJ-UHFFFAOYSA-N 2 2 280.372 0.427 20 0 CCADLP CO[C@@H](C)C[NH2+]CCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001267018183 791454203 /nfs/dbraw/zinc/45/42/03/791454203.db2.gz YBWRAOJNPQFBDO-JTQLQIEISA-N 2 2 268.361 0.344 20 0 CCADLP C[C@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC1CC1 ZINC001267145176 791588934 /nfs/dbraw/zinc/58/89/34/791588934.db2.gz BBBXMBHUASXVMP-SNVBAGLBSA-N 2 2 250.346 0.847 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724572215 791596841 /nfs/dbraw/zinc/59/68/41/791596841.db2.gz YFWRLXDZVDSUOH-PEDHHIEDSA-N 2 2 254.374 0.992 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724572215 791596846 /nfs/dbraw/zinc/59/68/46/791596846.db2.gz YFWRLXDZVDSUOH-PEDHHIEDSA-N 2 2 254.374 0.992 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+](C[C@H]([NH3+])Cc2ccccc2)C1 ZINC001204597914 791665747 /nfs/dbraw/zinc/66/57/47/791665747.db2.gz CGFJEGFNHGLSGU-ZIAGYGMSSA-N 2 2 261.369 0.754 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+](C[C@H]([NH3+])Cc2ccccc2)C1 ZINC001204597914 791665752 /nfs/dbraw/zinc/66/57/52/791665752.db2.gz CGFJEGFNHGLSGU-ZIAGYGMSSA-N 2 2 261.369 0.754 20 0 CCADLP CC(C)[N@H+]1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001277799055 806104091 /nfs/dbraw/zinc/10/40/91/806104091.db2.gz IVZDMBAVTXEGMB-KGLIPLIRSA-N 2 2 264.373 0.677 20 0 CCADLP CC(C)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001277799055 806104093 /nfs/dbraw/zinc/10/40/93/806104093.db2.gz IVZDMBAVTXEGMB-KGLIPLIRSA-N 2 2 264.373 0.677 20 0 CCADLP CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001234010149 806166864 /nfs/dbraw/zinc/16/68/64/806166864.db2.gz BLGYYXYFYZSHEF-NSHDSACASA-N 2 2 250.346 0.895 20 0 CCADLP COc1cccc([C@H](O)C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1 ZINC001246022361 807122186 /nfs/dbraw/zinc/12/21/86/807122186.db2.gz NPVOXXNOJOGYEB-MGPQQGTHSA-N 2 2 266.341 0.123 20 0 CCADLP COCCOC[NH+]1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001277898882 806308211 /nfs/dbraw/zinc/30/82/11/806308211.db2.gz RTVWGBSWRTZTTL-UHFFFAOYSA-N 2 2 294.399 0.928 20 0 CCADLP CCCOC[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001246053498 807135328 /nfs/dbraw/zinc/13/53/28/807135328.db2.gz RNYOCSSEUCOWOD-VWYCJHECSA-N 2 2 284.322 0.985 20 0 CCADLP Cc1cccn2c(CN3CCN[C@]4(CC[NH2+]C4)C3)c[nH+]c12 ZINC001235051327 806352176 /nfs/dbraw/zinc/35/21/76/806352176.db2.gz ITCCCTRDJZMJAZ-INIZCTEOSA-N 2 2 285.395 0.780 20 0 CCADLP OCCOc1ccc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235056056 806359493 /nfs/dbraw/zinc/35/94/93/806359493.db2.gz YIMIJBUZHYWKQI-INIZCTEOSA-N 2 2 291.395 0.195 20 0 CCADLP OCCOc1ccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235056056 806359500 /nfs/dbraw/zinc/35/95/00/806359500.db2.gz YIMIJBUZHYWKQI-INIZCTEOSA-N 2 2 291.395 0.195 20 0 CCADLP COc1ccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1N ZINC001235060571 806362534 /nfs/dbraw/zinc/36/25/34/806362534.db2.gz GKKIEDWEYCKXIA-OAHLLOKOSA-N 2 2 276.384 0.415 20 0 CCADLP COc1ccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1N ZINC001235060571 806362546 /nfs/dbraw/zinc/36/25/46/806362546.db2.gz GKKIEDWEYCKXIA-OAHLLOKOSA-N 2 2 276.384 0.415 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1C[C@@H](C(=O)N2CCCC2)C[C@H]2OCC[C@H]21 ZINC001235484141 806431127 /nfs/dbraw/zinc/43/11/27/806431127.db2.gz OSXDWSCAPBTTLT-IGQOVBAYSA-N 2 2 281.400 0.435 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1C[C@@H](C(=O)N2CCCC2)C[C@H]2OCC[C@H]21 ZINC001235484141 806431131 /nfs/dbraw/zinc/43/11/31/806431131.db2.gz OSXDWSCAPBTTLT-IGQOVBAYSA-N 2 2 281.400 0.435 20 0 CCADLP [NH3+]CC[NH+]1CCC2(C[C@@H](c3cncnc3)CO2)CC1 ZINC001235500868 806435290 /nfs/dbraw/zinc/43/52/90/806435290.db2.gz BNHVAAPIFBQBHY-GFCCVEGCSA-N 2 2 262.357 0.774 20 0 CCADLP C[C@H]([NH3+])C[NH+]1CCC2(CC1)NC(=O)C[C@@H]2c1cnn(C)c1 ZINC001235582337 806464017 /nfs/dbraw/zinc/46/40/17/806464017.db2.gz HPYFCWJCSSVWNZ-WCQYABFASA-N 2 2 291.399 0.205 20 0 CCADLP [NH3+]CC[N@@H+]1C[C@@H]2COC[C@@H](CC(=O)NC3CCC3)[C@@H]2C1 ZINC001235580461 806461685 /nfs/dbraw/zinc/46/16/85/806461685.db2.gz HYGLUAPUVIECQO-BZPMIXESSA-N 2 2 281.400 0.198 20 0 CCADLP [NH3+]CC[N@H+]1C[C@@H]2COC[C@@H](CC(=O)NC3CCC3)[C@@H]2C1 ZINC001235580461 806461689 /nfs/dbraw/zinc/46/16/89/806461689.db2.gz HYGLUAPUVIECQO-BZPMIXESSA-N 2 2 281.400 0.198 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1CC[C@]2(C1)C[C@H](NC(=O)N(C)C)CCO2 ZINC001235613515 806473641 /nfs/dbraw/zinc/47/36/41/806473641.db2.gz YSWSJKZFHINDPI-OUCADQQQSA-N 2 2 284.404 0.228 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1CC[C@]2(C1)C[C@H](NC(=O)N(C)C)CCO2 ZINC001235613515 806473646 /nfs/dbraw/zinc/47/36/46/806473646.db2.gz YSWSJKZFHINDPI-OUCADQQQSA-N 2 2 284.404 0.228 20 0 CCADLP C[C@H](O)C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001277959781 806485028 /nfs/dbraw/zinc/48/50/28/806485028.db2.gz VKOZRUYKRXHTOI-DZGCQCFKSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@H](O)C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001277959781 806485037 /nfs/dbraw/zinc/48/50/37/806485037.db2.gz VKOZRUYKRXHTOI-DZGCQCFKSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@H](O)C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001277959781 806485043 /nfs/dbraw/zinc/48/50/43/806485043.db2.gz VKOZRUYKRXHTOI-DZGCQCFKSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@H](O)C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001277959781 806485048 /nfs/dbraw/zinc/48/50/48/806485048.db2.gz VKOZRUYKRXHTOI-DZGCQCFKSA-N 2 2 283.416 0.243 20 0 CCADLP COC(=O)[C@H]1C[C@H]([NH3+])C[N@H+](CC2CC3(C2)CC[NH2+]CC3)C1 ZINC001235769874 806502420 /nfs/dbraw/zinc/50/24/20/806502420.db2.gz ICMQEOVWOPJGCI-KBPBESRZSA-N 3 2 295.427 0.588 20 0 CCADLP COC(=O)[C@H]1C[C@H]([NH3+])C[N@@H+](CC2CC3(C2)CC[NH2+]CC3)C1 ZINC001235769874 806502422 /nfs/dbraw/zinc/50/24/22/806502422.db2.gz ICMQEOVWOPJGCI-KBPBESRZSA-N 3 2 295.427 0.588 20 0 CCADLP [NH3+]CCCC[NH+]1CC2(C1)[C@H](CF)CCS2(=O)=O ZINC001235990865 806522997 /nfs/dbraw/zinc/52/29/97/806522997.db2.gz DKRSXKKKUHTDLU-JTQLQIEISA-N 2 2 264.366 0.184 20 0 CCADLP CSc1ncc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cn1 ZINC001235993225 806523892 /nfs/dbraw/zinc/52/38/92/806523892.db2.gz GIMUCAVUFWHSPV-FOSCPWQOSA-N 2 2 280.397 0.604 20 0 CCADLP CSc1ncc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cn1 ZINC001235993225 806523899 /nfs/dbraw/zinc/52/38/99/806523899.db2.gz GIMUCAVUFWHSPV-FOSCPWQOSA-N 2 2 280.397 0.604 20 0 CCADLP COC(=O)c1ccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cn1 ZINC001235999957 806526888 /nfs/dbraw/zinc/52/68/88/806526888.db2.gz OCOSMJYUCJARJS-ONXXMXGDSA-N 2 2 291.351 0.274 20 0 CCADLP COC(=O)c1ccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cn1 ZINC001235999957 806526892 /nfs/dbraw/zinc/52/68/92/806526892.db2.gz OCOSMJYUCJARJS-ONXXMXGDSA-N 2 2 291.351 0.274 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cccc2[nH+]ccn21 ZINC001236202947 806554939 /nfs/dbraw/zinc/55/49/39/806554939.db2.gz YWDKSLINABPTHF-PWSUYJOCSA-N 2 2 274.324 0.409 20 0 CCADLP COC(=O)CC[N@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C1CC1 ZINC001236258257 806558428 /nfs/dbraw/zinc/55/84/28/806558428.db2.gz AILWBERPXBPVSP-NSHDSACASA-N 2 2 256.346 0.738 20 0 CCADLP COC(=O)CC[N@@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C1CC1 ZINC001236258257 806558437 /nfs/dbraw/zinc/55/84/37/806558437.db2.gz AILWBERPXBPVSP-NSHDSACASA-N 2 2 256.346 0.738 20 0 CCADLP COC(=O)[C@H]1CN(Cc2ccc3[nH+]ccn3c2)C[C@H]1[NH3+] ZINC001236348217 806578537 /nfs/dbraw/zinc/57/85/37/806578537.db2.gz LWUUTVHVDGFUMJ-NWDGAFQWSA-N 2 2 274.324 0.266 20 0 CCADLP NC(=O)C[NH+]1CCC2(C[NH+](Cc3ccc[nH]3)C2)CC1 ZINC001277982572 806590155 /nfs/dbraw/zinc/59/01/55/806590155.db2.gz YOGJPMZBXNCXRY-UHFFFAOYSA-N 2 2 262.357 0.398 20 0 CCADLP C[N@H+](Cc1ccccc1N1CC[NH2+]CC1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236410398 806589410 /nfs/dbraw/zinc/58/94/10/806589410.db2.gz BLDIIZGJVROANB-QLPKVWCKSA-N 3 2 286.423 0.746 20 0 CCADLP C[N@@H+](Cc1ccccc1N1CC[NH2+]CC1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236410398 806589418 /nfs/dbraw/zinc/58/94/18/806589418.db2.gz BLDIIZGJVROANB-QLPKVWCKSA-N 3 2 286.423 0.746 20 0 CCADLP CCCNC(=O)COC1CC[NH+](C[C@H](C)[NH3+])CC1 ZINC001236861309 806615437 /nfs/dbraw/zinc/61/54/37/806615437.db2.gz ZZHOAWKVAUPVNG-NSHDSACASA-N 2 2 257.378 0.341 20 0 CCADLP CCOC(=O)[C@H]1C[N@H+](C[C@@H]2CCCC[NH2+]2)CCC12C[NH2+]C2 ZINC001237413281 806661441 /nfs/dbraw/zinc/66/14/41/806661441.db2.gz WBBMAIHDOGXIRB-UONOGXRCSA-N 3 2 295.427 0.603 20 0 CCADLP CCOC(=O)[C@H]1C[N@@H+](C[C@@H]2CCCC[NH2+]2)CCC12C[NH2+]C2 ZINC001237413281 806661445 /nfs/dbraw/zinc/66/14/45/806661445.db2.gz WBBMAIHDOGXIRB-UONOGXRCSA-N 3 2 295.427 0.603 20 0 CCADLP CCOC(=O)[C@@H]1C[N@H+](C[C@@H]2CCCC[NH2+]2)CCC12C[NH2+]C2 ZINC001237413272 806661506 /nfs/dbraw/zinc/66/15/06/806661506.db2.gz WBBMAIHDOGXIRB-KBPBESRZSA-N 3 2 295.427 0.603 20 0 CCADLP CCOC(=O)[C@@H]1C[N@@H+](C[C@@H]2CCCC[NH2+]2)CCC12C[NH2+]C2 ZINC001237413272 806661508 /nfs/dbraw/zinc/66/15/08/806661508.db2.gz WBBMAIHDOGXIRB-KBPBESRZSA-N 3 2 295.427 0.603 20 0 CCADLP Cc1[nH+]c2ccccn2c1NS(=O)(=O)CC[NH3+] ZINC001237504246 806676467 /nfs/dbraw/zinc/67/64/67/806676467.db2.gz LUVULMJXBFBVQS-UHFFFAOYSA-N 2 2 254.315 0.343 20 0 CCADLP CCOCC[C@@H](O)C[NH2+]CC(C)(C)n1cc[nH+]c1 ZINC001120611392 798888248 /nfs/dbraw/zinc/88/82/48/798888248.db2.gz SBKCMQLFVBKPTG-GFCCVEGCSA-N 2 2 255.362 0.995 20 0 CCADLP C[N@@H+]1CCC[C@@H](C[NH+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(N)=O)C1 ZINC001278141997 806715169 /nfs/dbraw/zinc/71/51/69/806715169.db2.gz CTSSLARYYUXKGU-ITGHMWBKSA-N 2 2 281.400 0.027 20 0 CCADLP C[N@H+]1CCC[C@@H](C[NH+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(N)=O)C1 ZINC001278141997 806715173 /nfs/dbraw/zinc/71/51/73/806715173.db2.gz CTSSLARYYUXKGU-ITGHMWBKSA-N 2 2 281.400 0.027 20 0 CCADLP C[NH+]1CCC[C@@H](C[N@@H+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(N)=O)C1 ZINC001278141997 806715176 /nfs/dbraw/zinc/71/51/76/806715176.db2.gz CTSSLARYYUXKGU-ITGHMWBKSA-N 2 2 281.400 0.027 20 0 CCADLP C[NH+]1CCC[C@@H](C[N@H+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(N)=O)C1 ZINC001278141997 806715180 /nfs/dbraw/zinc/71/51/80/806715180.db2.gz CTSSLARYYUXKGU-ITGHMWBKSA-N 2 2 281.400 0.027 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H]([NH3+])C(F)F)CC[C@H]21 ZINC001122192694 799166303 /nfs/dbraw/zinc/16/63/03/799166303.db2.gz VRSPVQMJSRGEDL-KXUCPTDWSA-N 2 2 261.316 0.522 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]([NH3+])C(F)F)CC[C@H]21 ZINC001122192694 799166307 /nfs/dbraw/zinc/16/63/07/799166307.db2.gz VRSPVQMJSRGEDL-KXUCPTDWSA-N 2 2 261.316 0.522 20 0 CCADLP CC[C@H]1CC[C@@H](C(=O)NCC[NH+]2CCC([NH3+])CC2)O1 ZINC001122238922 799177005 /nfs/dbraw/zinc/17/70/05/799177005.db2.gz KHPIXMBLRWVOKZ-STQMWFEESA-N 2 2 269.389 0.483 20 0 CCADLP CC1(C)C[NH2+]C[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001122362514 799212089 /nfs/dbraw/zinc/21/20/89/799212089.db2.gz CPYOSVYRGFSAFJ-GHMZBOCLSA-N 2 2 262.357 0.560 20 0 CCADLP OC[C@H]1CC[N@H+](Cc2cccc3c[nH+]cn32)C[C@H]1O ZINC001238104457 806749962 /nfs/dbraw/zinc/74/99/62/806749962.db2.gz VRXOICVZOQGXOG-BXUZGUMPSA-N 2 2 261.325 0.509 20 0 CCADLP OC[C@H]1CC[N@@H+](Cc2cccc3c[nH+]cn32)C[C@H]1O ZINC001238104457 806749968 /nfs/dbraw/zinc/74/99/68/806749968.db2.gz VRXOICVZOQGXOG-BXUZGUMPSA-N 2 2 261.325 0.509 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC001137894717 799693805 /nfs/dbraw/zinc/69/38/05/799693805.db2.gz ZFVWSRBFUFIWJB-GHMZBOCLSA-N 2 2 250.346 0.812 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC001137894717 799693808 /nfs/dbraw/zinc/69/38/08/799693808.db2.gz ZFVWSRBFUFIWJB-GHMZBOCLSA-N 2 2 250.346 0.812 20 0 CCADLP CC[NH+](CC)CCN1CC[NH+](CC(=O)N(C)C)CC1 ZINC001203004910 799882367 /nfs/dbraw/zinc/88/23/67/799882367.db2.gz DGRKIWINRNDIHI-UHFFFAOYSA-N 2 2 270.421 0.034 20 0 CCADLP C[N@@H+](Cc1cccc(-n2cc[nH+]c2)c1)C[C@@H](O)CO ZINC001141239495 799993597 /nfs/dbraw/zinc/99/35/97/799993597.db2.gz VDKSZDWBYZVKSE-CQSZACIVSA-N 2 2 261.325 0.657 20 0 CCADLP C[N@H+](Cc1cccc(-n2cc[nH+]c2)c1)C[C@@H](O)CO ZINC001141239495 799993603 /nfs/dbraw/zinc/99/36/03/799993603.db2.gz VDKSZDWBYZVKSE-CQSZACIVSA-N 2 2 261.325 0.657 20 0 CCADLP O=C(NCC1([NH+]2CCCC2)COC1)[C@H]1CC2CC[NH+]1CC2 ZINC001142635589 800142171 /nfs/dbraw/zinc/14/21/71/800142171.db2.gz ORWDYJLWVONDIZ-CQSZACIVSA-N 2 2 293.411 0.452 20 0 CCADLP CC(C)COCC[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149570942 800277050 /nfs/dbraw/zinc/27/70/50/800277050.db2.gz HWJKADKMTBEEFD-UHFFFAOYSA-N 2 2 296.415 0.731 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]C/C=C/Cl ZINC001149571194 800278258 /nfs/dbraw/zinc/27/82/58/800278258.db2.gz SSODXEMCEFQZON-GORDUTHDSA-N 2 2 270.764 0.811 20 0 CCADLP CCC[N@@H+]1CCCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150380733 800334026 /nfs/dbraw/zinc/33/40/26/800334026.db2.gz YNVOFBWXVVVLEX-CYBMUJFWSA-N 2 2 280.372 0.569 20 0 CCADLP CCC[N@H+]1CCCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150380733 800334033 /nfs/dbraw/zinc/33/40/33/800334033.db2.gz YNVOFBWXVVVLEX-CYBMUJFWSA-N 2 2 280.372 0.569 20 0 CCADLP CCC[N@@H+]1CCCO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150496076 800341118 /nfs/dbraw/zinc/34/11/18/800341118.db2.gz AWVHSEQQWOYDCZ-LBPRGKRZSA-N 2 2 280.372 0.569 20 0 CCADLP CCC[N@H+]1CCCO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150496076 800341125 /nfs/dbraw/zinc/34/11/25/800341125.db2.gz AWVHSEQQWOYDCZ-LBPRGKRZSA-N 2 2 280.372 0.569 20 0 CCADLP CC[N@@H+]1CCCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150507150 800342400 /nfs/dbraw/zinc/34/24/00/800342400.db2.gz CYKQEYJGDPWGON-LLVKDONJSA-N 2 2 266.345 0.179 20 0 CCADLP CC[N@H+]1CCCO[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150507150 800342405 /nfs/dbraw/zinc/34/24/05/800342405.db2.gz CYKQEYJGDPWGON-LLVKDONJSA-N 2 2 266.345 0.179 20 0 CCADLP CCCC[N@@H+]1CCCO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150508278 800343300 /nfs/dbraw/zinc/34/33/00/800343300.db2.gz QJLCKVJCEUTORE-ZDUSSCGKSA-N 2 2 294.399 0.959 20 0 CCADLP CCCC[N@H+]1CCCO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150508278 800343306 /nfs/dbraw/zinc/34/33/06/800343306.db2.gz QJLCKVJCEUTORE-ZDUSSCGKSA-N 2 2 294.399 0.959 20 0 CCADLP CC(C)c1cnc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001151064657 800393995 /nfs/dbraw/zinc/39/39/95/800393995.db2.gz CRYUPDLJXQBVFB-GFCCVEGCSA-N 2 2 294.399 0.956 20 0 CCADLP CC(C)c1cnc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001151064657 800394000 /nfs/dbraw/zinc/39/40/00/800394000.db2.gz CRYUPDLJXQBVFB-GFCCVEGCSA-N 2 2 294.399 0.956 20 0 CCADLP CCc1noc([C@@H](C)[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001151073273 800395632 /nfs/dbraw/zinc/39/56/32/800395632.db2.gz IFIJQPDIXXVCOQ-MNOVXSKESA-N 2 2 295.387 0.351 20 0 CCADLP CCc1noc([C@@H](C)[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001151073273 800395638 /nfs/dbraw/zinc/39/56/38/800395638.db2.gz IFIJQPDIXXVCOQ-MNOVXSKESA-N 2 2 295.387 0.351 20 0 CCADLP Cc1ncc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2C)o1 ZINC001151122568 800402142 /nfs/dbraw/zinc/40/21/42/800402142.db2.gz UADJPIKERXEPOK-UHFFFAOYSA-N 2 2 277.328 0.394 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001152439461 800520747 /nfs/dbraw/zinc/52/07/47/800520747.db2.gz NCKGJVNRQNRIOC-UHFFFAOYSA-N 2 2 295.387 0.493 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001152439461 800520753 /nfs/dbraw/zinc/52/07/53/800520753.db2.gz NCKGJVNRQNRIOC-UHFFFAOYSA-N 2 2 295.387 0.493 20 0 CCADLP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CC1CC1)c1cccnc1 ZINC001152618496 800542939 /nfs/dbraw/zinc/54/29/39/800542939.db2.gz OOLADLOCVODIKV-CQSZACIVSA-N 2 2 276.384 0.800 20 0 CCADLP Cn1cc(C[NH2+]CCNC(=O)CCCn2cc[nH+]c2)cn1 ZINC001153339077 800623541 /nfs/dbraw/zinc/62/35/41/800623541.db2.gz FTILVXIAAOJUEY-UHFFFAOYSA-N 2 2 290.371 0.303 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NCC[NH2+]CCCF ZINC001153344396 800624992 /nfs/dbraw/zinc/62/49/92/800624992.db2.gz BSTZGAUJIBMNDW-UHFFFAOYSA-N 2 2 256.325 0.729 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CCn1cc(Cl)cn1 ZINC001153496214 800635557 /nfs/dbraw/zinc/63/55/57/800635557.db2.gz WJSHTVXYMXLXIZ-UHFFFAOYSA-N 2 2 296.762 0.139 20 0 CCADLP COC(=O)c1cnc(-n2c[nH+]cc2C2CC[NH2+]CC2)cn1 ZINC001155053400 800898903 /nfs/dbraw/zinc/89/89/03/800898903.db2.gz MXUWIFLKYIPZGF-UHFFFAOYSA-N 2 2 287.323 0.916 20 0 CCADLP CCOc1nccnc1N1CCC[C@@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155383918 800963825 /nfs/dbraw/zinc/96/38/25/800963825.db2.gz UQDAYMSKCQXXRS-CYBMUJFWSA-N 2 2 291.399 0.735 20 0 CCADLP CC[N@H+](C[C@@H]1CCOC1)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155469208 800983287 /nfs/dbraw/zinc/98/32/87/800983287.db2.gz GSZSSJNEGFMBMW-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP CC[N@@H+](C[C@@H]1CCOC1)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155469208 800983293 /nfs/dbraw/zinc/98/32/93/800983293.db2.gz GSZSSJNEGFMBMW-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP Cc1nc([C@@H](C)[NH2+]CCCNC(=O)[C@@H]2CCC[N@@H+]2C)no1 ZINC001155811018 801056007 /nfs/dbraw/zinc/05/60/07/801056007.db2.gz GHIYSOZVKZENKM-PWSUYJOCSA-N 2 2 295.387 0.629 20 0 CCADLP Cc1nc([C@@H](C)[NH2+]CCCNC(=O)[C@@H]2CCC[N@H+]2C)no1 ZINC001155811018 801056015 /nfs/dbraw/zinc/05/60/15/801056015.db2.gz GHIYSOZVKZENKM-PWSUYJOCSA-N 2 2 295.387 0.629 20 0 CCADLP CN(C)c1cncc(NCC2([NH+](C)C)CC[NH+](C)CC2)n1 ZINC001156176893 801122083 /nfs/dbraw/zinc/12/20/83/801122083.db2.gz VUGJPLYHNALWOU-UHFFFAOYSA-N 2 2 292.431 0.981 20 0 CCADLP C[C@H](CCO)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001156452494 801167896 /nfs/dbraw/zinc/16/78/96/801167896.db2.gz UQRMWZFQSDKXHD-LLVKDONJSA-N 2 2 250.346 0.674 20 0 CCADLP Cc1[nH+]c(N)ccc1CNc1ncc2c(n1)C[NH2+]C2 ZINC001156980968 801278810 /nfs/dbraw/zinc/27/88/10/801278810.db2.gz RHVBQODKRNWKKF-UHFFFAOYSA-N 2 2 256.313 0.978 20 0 CCADLP CC[N@@H+]1CCO[C@@H]2CN(Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC001204384378 801305391 /nfs/dbraw/zinc/30/53/91/801305391.db2.gz VQDAMVVHKBTQEW-GXTWGEPZSA-N 2 2 264.373 0.573 20 0 CCADLP CC[N@H+]1CCO[C@@H]2CN(Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC001204384378 801305400 /nfs/dbraw/zinc/30/54/00/801305400.db2.gz VQDAMVVHKBTQEW-GXTWGEPZSA-N 2 2 264.373 0.573 20 0 CCADLP c1cc(NC[C@H]2COCCO2)[nH+]cc1N1CC[NH2+]CC1 ZINC001157482779 801397692 /nfs/dbraw/zinc/39/76/92/801397692.db2.gz AFCFCKFJSVUPRU-ZDUSSCGKSA-N 2 2 278.356 0.319 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])[C@@H](c2ccccc2)C1 ZINC001157496495 801401439 /nfs/dbraw/zinc/40/14/39/801401439.db2.gz VRBSXIJJGKTNNT-LSDHHAIUSA-N 3 2 290.411 0.568 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])[C@@H](c2ccccc2)C1 ZINC001157496495 801401443 /nfs/dbraw/zinc/40/14/43/801401443.db2.gz VRBSXIJJGKTNNT-LSDHHAIUSA-N 3 2 290.411 0.568 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@H]([NH3+])CCC[NH3+])[C@@H](c2ccccc2)C1 ZINC001157496494 801401563 /nfs/dbraw/zinc/40/15/63/801401563.db2.gz VRBSXIJJGKTNNT-HUUCEWRRSA-N 3 2 290.411 0.568 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]([NH3+])CCC[NH3+])[C@@H](c2ccccc2)C1 ZINC001157496494 801401567 /nfs/dbraw/zinc/40/15/67/801401567.db2.gz VRBSXIJJGKTNNT-HUUCEWRRSA-N 3 2 290.411 0.568 20 0 CCADLP c1nc(N[C@@H]2CCC[N@@H+](C3COC3)C2)cc(C2C[NH2+]C2)n1 ZINC001157587283 801427738 /nfs/dbraw/zinc/42/77/38/801427738.db2.gz CLFSFXHUCMLWTK-GFCCVEGCSA-N 2 2 289.383 0.439 20 0 CCADLP c1nc(N[C@@H]2CCC[N@H+](C3COC3)C2)cc(C2C[NH2+]C2)n1 ZINC001157587283 801427744 /nfs/dbraw/zinc/42/77/44/801427744.db2.gz CLFSFXHUCMLWTK-GFCCVEGCSA-N 2 2 289.383 0.439 20 0 CCADLP C[C@H]1C[C@@H](CF)N(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001157877684 801508841 /nfs/dbraw/zinc/50/88/41/801508841.db2.gz NUJFQOPIFAVBQM-MRBYEJRBSA-N 2 2 255.337 0.144 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC[C@](CF)(C(F)(F)F)C2)C1 ZINC001157891138 801511142 /nfs/dbraw/zinc/51/11/42/801511142.db2.gz UYDHTYNZUHXOHC-KHQFGBGNSA-N 2 2 283.269 0.426 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cnc3cc[nH]c3n2)CC1 ZINC001157910618 801517069 /nfs/dbraw/zinc/51/70/69/801517069.db2.gz OAJUNIJSMKCPRM-UHFFFAOYSA-N 2 2 259.317 0.552 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2nccc(N3CCCC3)n2)CC1 ZINC001157910854 801517694 /nfs/dbraw/zinc/51/76/94/801517694.db2.gz SFHHXOFYDAIEAH-UHFFFAOYSA-N 2 2 289.387 0.671 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ncnc3ncccc32)CC1 ZINC001157914525 801519360 /nfs/dbraw/zinc/51/93/60/801519360.db2.gz HFIRRFVBJOMFGT-UHFFFAOYSA-N 2 2 271.328 0.619 20 0 CCADLP O=C([C@@H]1C[NH2+]CC(F)(F)C1)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158198783 801588740 /nfs/dbraw/zinc/58/87/40/801588740.db2.gz ITSUXHGQAVPSSA-LPEHRKFASA-N 2 2 259.300 0.194 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncnc2ccc(F)cc21 ZINC001158203472 801591042 /nfs/dbraw/zinc/59/10/42/801591042.db2.gz ORIZWPVWADWWGG-SNVBAGLBSA-N 2 2 287.298 0.817 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc(Cl)nc2nc[nH]c21 ZINC001158204989 801592553 /nfs/dbraw/zinc/59/25/53/801592553.db2.gz ZUDJVHYLMUYBBQ-SSDOTTSWSA-N 2 2 292.730 0.659 20 0 CCADLP COc1ccc(Cl)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158204686 801593095 /nfs/dbraw/zinc/59/30/95/801593095.db2.gz UBYHIZSTMGXRGI-MRVPVSSYSA-N 2 2 282.731 0.791 20 0 CCADLP COCc1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1 ZINC001158209521 801597442 /nfs/dbraw/zinc/59/74/42/801597442.db2.gz WPVOYJQOVKVKSH-LLVKDONJSA-N 2 2 262.313 0.276 20 0 CCADLP CC(C)Cc1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ncn1 ZINC001158209516 801597470 /nfs/dbraw/zinc/59/74/70/801597470.db2.gz WHSKIGWMWHNTSY-LLVKDONJSA-N 2 2 275.356 0.723 20 0 CCADLP COc1nccnc1N1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158258360 801606993 /nfs/dbraw/zinc/60/69/93/801606993.db2.gz XDCLMAZUYNESNB-NSHDSACASA-N 2 2 277.372 0.487 20 0 CCADLP COc1nccnc1N1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158258360 801606996 /nfs/dbraw/zinc/60/69/96/801606996.db2.gz XDCLMAZUYNESNB-NSHDSACASA-N 2 2 277.372 0.487 20 0 CCADLP COc1cc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)nc(C)n1 ZINC001158262881 801609955 /nfs/dbraw/zinc/60/99/55/801609955.db2.gz WUBWKYPFXDUOBM-LBPRGKRZSA-N 2 2 291.399 0.795 20 0 CCADLP COc1cc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)nc(C)n1 ZINC001158262881 801609957 /nfs/dbraw/zinc/60/99/57/801609957.db2.gz WUBWKYPFXDUOBM-LBPRGKRZSA-N 2 2 291.399 0.795 20 0 CCADLP Nc1ccc(N2CCO[C@@H](C[NH+]3CCCC3)C2)[nH+]c1 ZINC001158306749 801617870 /nfs/dbraw/zinc/61/78/70/801617870.db2.gz YIFRCVQZDMJZDJ-ZDUSSCGKSA-N 2 2 262.357 0.965 20 0 CCADLP COc1ccc[nH+]c1NCCOCCOCC[NH3+] ZINC001159444720 801807481 /nfs/dbraw/zinc/80/74/81/801807481.db2.gz LEUWJNJKDJBTBD-UHFFFAOYSA-N 2 2 255.318 0.494 20 0 CCADLP CCOC(=O)Cc1ccc[nH+]c1N[C@H](C)[C@H]1C[NH2+]CCO1 ZINC001159495326 801819970 /nfs/dbraw/zinc/81/99/70/801819970.db2.gz DPJPQYSVVSOBOK-DGCLKSJQSA-N 2 2 293.367 0.976 20 0 CCADLP CC[C@@H](C[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1)OC ZINC001159537157 801831388 /nfs/dbraw/zinc/83/13/88/801831388.db2.gz MNAOYILTRPHMNE-ZDUSSCGKSA-N 2 2 282.388 0.863 20 0 CCADLP CC[C@@H](C[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1)OC ZINC001159537157 801831398 /nfs/dbraw/zinc/83/13/98/801831398.db2.gz MNAOYILTRPHMNE-ZDUSSCGKSA-N 2 2 282.388 0.863 20 0 CCADLP [NH3+]Cc1ncc(-c2cnn(CC[NH+]3CCOCC3)c2)cn1 ZINC001240542803 806945253 /nfs/dbraw/zinc/94/52/53/806945253.db2.gz NHRZPKPKTYYUMA-UHFFFAOYSA-N 2 2 288.355 0.131 20 0 CCADLP COCCN(C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)C(C)C ZINC001160463651 801946612 /nfs/dbraw/zinc/94/66/12/801946612.db2.gz LRZSHFPZWCSJRS-LBPRGKRZSA-N 2 2 268.361 0.173 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC(OCc3ccccc3)C2)C1 ZINC001160490748 801950333 /nfs/dbraw/zinc/95/03/33/801950333.db2.gz GTMDRQBMYKBEBW-OCCSQVGLSA-N 2 2 275.352 0.103 20 0 CCADLP C[C@@H]([NH3+])C(=O)N1CC[NH+](CCc2ccncc2)CC1 ZINC001160489902 801950462 /nfs/dbraw/zinc/95/04/62/801950462.db2.gz HDVSXHWTBNJOQR-GFCCVEGCSA-N 2 2 262.357 0.116 20 0 CCADLP CC(C)C[C@@H](C(=O)NCCC[NH2+]C[C@H](C)O)n1cc[nH+]c1 ZINC001160528771 801961901 /nfs/dbraw/zinc/96/19/01/801961901.db2.gz UWXFPELYIJWBKW-KBPBESRZSA-N 2 2 296.415 0.947 20 0 CCADLP CC(C)[C@H]1COCCN1C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001160670088 801994993 /nfs/dbraw/zinc/99/49/93/801994993.db2.gz RQPPKNSXENIRKY-BYNQJWBRSA-N 2 2 267.373 0.092 20 0 CCADLP c1nc2c(c(N[C@@H]3CCC[C@@H]3[NH+]3CCOCC3)n1)C[NH2+]C2 ZINC001160722973 802010336 /nfs/dbraw/zinc/01/03/36/802010336.db2.gz JEMWXMUCZIRNGJ-OCCSQVGLSA-N 2 2 289.383 0.745 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCCC3(CC(F)C3)CC2)C1 ZINC001160755925 802014950 /nfs/dbraw/zinc/01/49/50/802014950.db2.gz CBSKLBOFEUCAJI-BEVNXUHPSA-N 2 2 269.364 0.806 20 0 CCADLP Cc1c[nH]c2nc[nH+]c(NCCN3CC[NH2+]CC3=O)c12 ZINC001161019717 802064474 /nfs/dbraw/zinc/06/44/74/802064474.db2.gz RBWIZLMOSWAKGB-UHFFFAOYSA-N 2 2 274.328 0.062 20 0 CCADLP COC(=O)[C@@H]1C[C@H]1CNc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001161042596 802073982 /nfs/dbraw/zinc/07/39/82/802073982.db2.gz NDSLWXXULLHFLP-WCQYABFASA-N 2 2 290.367 0.712 20 0 CCADLP CN(Cc1cncs1)C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161065228 802081541 /nfs/dbraw/zinc/08/15/41/802081541.db2.gz PXDRBJXKGXVHPB-JOYOIKCWSA-N 2 2 266.370 0.053 20 0 CCADLP Nc1ccc2c(c1)CN(C(=O)C1([NH3+])CC[NH2+]CC1)CC2 ZINC001161075572 802082213 /nfs/dbraw/zinc/08/22/13/802082213.db2.gz CTDPIDFATNRTBV-UHFFFAOYSA-N 2 2 274.368 0.234 20 0 CCADLP CCN(C(=O)[C@@H]([NH3+])Cc1ccsc1)C1C[NH+](C)C1 ZINC001161135118 802097857 /nfs/dbraw/zinc/09/78/57/802097857.db2.gz SONAPVXAGBLTLW-LBPRGKRZSA-N 2 2 267.398 0.780 20 0 CCADLP c1ccc(N2CC(Nc3ncnc4c3CC[NH2+]C4)C2)[nH+]c1 ZINC001161318956 802125457 /nfs/dbraw/zinc/12/54/57/802125457.db2.gz CNDJVXDIIMPQGH-UHFFFAOYSA-N 2 2 282.351 0.818 20 0 CCADLP CCN(C(=O)c1cnc2n1CC[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC001161346596 802135140 /nfs/dbraw/zinc/13/51/40/802135140.db2.gz MAJRDQWCIVTNFF-LLVKDONJSA-N 2 2 277.372 0.200 20 0 CCADLP COc1cc2c(cc1OC)CN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C2 ZINC001161468400 802160089 /nfs/dbraw/zinc/16/00/89/802160089.db2.gz LQAWOJNGKYVRIB-RYUDHWBXSA-N 2 2 291.351 0.093 20 0 CCADLP CC(=O)NCCNc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001161661992 802195076 /nfs/dbraw/zinc/19/50/76/802195076.db2.gz WLSMADBCVAZATD-CQSZACIVSA-N 2 2 276.384 0.768 20 0 CCADLP CC(=O)NCCNc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001161661992 802195084 /nfs/dbraw/zinc/19/50/84/802195084.db2.gz WLSMADBCVAZATD-CQSZACIVSA-N 2 2 276.384 0.768 20 0 CCADLP COCCC1([NH3+])CCN(c2cc(N(C)C)[nH+]cn2)CC1 ZINC001162041944 802269420 /nfs/dbraw/zinc/26/94/20/802269420.db2.gz UJFDKSZREHZSNF-UHFFFAOYSA-N 2 2 279.388 0.877 20 0 CCADLP COCCC1([NH3+])CCN(c2cc(N(C)C)nc[nH+]2)CC1 ZINC001162041944 802269424 /nfs/dbraw/zinc/26/94/24/802269424.db2.gz UJFDKSZREHZSNF-UHFFFAOYSA-N 2 2 279.388 0.877 20 0 CCADLP C[C@@H]1C[C@@H](CNc2[nH+]cnc3[nH]cc(C(N)=O)c32)C[NH2+]1 ZINC001162558531 802369145 /nfs/dbraw/zinc/36/91/45/802369145.db2.gz VSAXWXGTXPNRJU-HTQZYQBOSA-N 2 2 274.328 0.418 20 0 CCADLP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1COC[C@H]1[NH3+])C2 ZINC001255183469 808327128 /nfs/dbraw/zinc/32/71/28/808327128.db2.gz RDDQEMLSCGRYRI-NZEXEKPDSA-N 2 2 283.372 0.454 20 0 CCADLP c1nc(N2CCCC2)cc(N[C@H]2COCCC23C[NH2+]C3)[nH+]1 ZINC001163070464 802473037 /nfs/dbraw/zinc/47/30/37/802473037.db2.gz XZXOCOMDTZFLIB-LBPRGKRZSA-N 2 2 289.383 0.867 20 0 CCADLP c1nc(N[C@H]2COCCC23C[NH2+]C3)cc(N2CCCC2)[nH+]1 ZINC001163070464 802473041 /nfs/dbraw/zinc/47/30/41/802473041.db2.gz XZXOCOMDTZFLIB-LBPRGKRZSA-N 2 2 289.383 0.867 20 0 CCADLP CC(C)OC[C@H](O)C[NH+]1CCC([NH+]2CCC2)CC1 ZINC000700378467 809742618 /nfs/dbraw/zinc/74/26/18/809742618.db2.gz PKCUXTZNRHGFNY-CQSZACIVSA-N 2 2 256.390 0.942 20 0 CCADLP COC(=O)Cc1c[nH]c2[nH+]ccc(N3CC[C@@H]([NH3+])C3)c12 ZINC001164288414 802707968 /nfs/dbraw/zinc/70/79/68/802707968.db2.gz OVNFSPVMCBWWNO-SNVBAGLBSA-N 2 2 274.324 0.816 20 0 CCADLP [NH3+][C@@H]1CN(c2cc[nH+]c(N3CCOCC3)n2)CCC1(F)F ZINC001164323659 802722652 /nfs/dbraw/zinc/72/26/52/802722652.db2.gz NRARKOSWALXXPX-SNVBAGLBSA-N 2 2 299.325 0.486 20 0 CCADLP C[NH+](C)C[C@@H]1CCCN1c1cc(N2CCOCC2)[nH+]cn1 ZINC001165073199 802779212 /nfs/dbraw/zinc/77/92/12/802779212.db2.gz WGUKSJSYTFYBQX-ZDUSSCGKSA-N 2 2 291.399 0.844 20 0 CCADLP C[C@H](O)C[NH2+]CC1(CCNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001165383293 802831321 /nfs/dbraw/zinc/83/13/21/802831321.db2.gz FOQOAOJJDLGXOP-LBPRGKRZSA-N 2 2 294.399 0.599 20 0 CCADLP C[C@H](O)C[NH2+]CC1(CCNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001165383293 802831326 /nfs/dbraw/zinc/83/13/26/802831326.db2.gz FOQOAOJJDLGXOP-LBPRGKRZSA-N 2 2 294.399 0.599 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@@H]([NH2+]CCCO)C12CCC2 ZINC001203531230 803032878 /nfs/dbraw/zinc/03/28/78/803032878.db2.gz QNYZGRUNAYINLF-NEPJUHHUSA-N 2 2 292.383 0.352 20 0 CCADLP C[C@H](CCCC(C)(C)O)CC[N@@H+]1C[C@@H]([NH3+])[C@H](O)C1 ZINC001205339055 803135451 /nfs/dbraw/zinc/13/54/51/803135451.db2.gz DQGBZOSZVZQVNP-JHJVBQTASA-N 2 2 258.406 0.958 20 0 CCADLP C[C@H](CCCC(C)(C)O)CC[N@H+]1C[C@@H]([NH3+])[C@H](O)C1 ZINC001205339055 803135455 /nfs/dbraw/zinc/13/54/55/803135455.db2.gz DQGBZOSZVZQVNP-JHJVBQTASA-N 2 2 258.406 0.958 20 0 CCADLP C[C@@H](O)C[NH2+]CC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001205804535 803175451 /nfs/dbraw/zinc/17/54/51/803175451.db2.gz CRRFDSNEPJLWGH-CYBMUJFWSA-N 2 2 294.399 0.482 20 0 CCADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@@H]2COC[C@H]12 ZINC001205933297 803188454 /nfs/dbraw/zinc/18/84/54/803188454.db2.gz RRRHWCGVUDSLFH-ZOBORPQBSA-N 2 2 254.374 0.458 20 0 CCADLP OCCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@@H]2COC[C@H]12 ZINC001205933297 803188457 /nfs/dbraw/zinc/18/84/57/803188457.db2.gz RRRHWCGVUDSLFH-ZOBORPQBSA-N 2 2 254.374 0.458 20 0 CCADLP Cn1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c(C2CC2)n1 ZINC001205966679 803193677 /nfs/dbraw/zinc/19/36/77/803193677.db2.gz AHHORAKTILAFTP-VXGBXAGGSA-N 2 2 250.346 0.191 20 0 CCADLP Cn1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c(C2CC2)n1 ZINC001205966679 803193680 /nfs/dbraw/zinc/19/36/80/803193680.db2.gz AHHORAKTILAFTP-VXGBXAGGSA-N 2 2 250.346 0.191 20 0 CCADLP N[C@@]1(C(F)(F)F)CC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC001206209510 803215648 /nfs/dbraw/zinc/21/56/48/803215648.db2.gz GAVJIMQSZMXZKS-ZJUUUORDSA-N 2 2 251.296 0.952 20 0 CCADLP N[C@@]1(C(F)(F)F)CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC001206209510 803215653 /nfs/dbraw/zinc/21/56/53/803215653.db2.gz GAVJIMQSZMXZKS-ZJUUUORDSA-N 2 2 251.296 0.952 20 0 CCADLP Cn1nccc1C[N@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001206355227 803234374 /nfs/dbraw/zinc/23/43/74/803234374.db2.gz MZVRVSULQZFQIB-UHFFFAOYSA-N 2 2 279.388 0.016 20 0 CCADLP Cn1nccc1C[N@@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001206355227 803234379 /nfs/dbraw/zinc/23/43/79/803234379.db2.gz MZVRVSULQZFQIB-UHFFFAOYSA-N 2 2 279.388 0.016 20 0 CCADLP COC[C@@H](C)[NH2+]CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001206412089 803239394 /nfs/dbraw/zinc/23/93/94/803239394.db2.gz YLKCIBLRCKRNRJ-GFCCVEGCSA-N 2 2 294.399 0.815 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2c[nH]c3ncc(Cl)cc23)C[C@H]1O ZINC001206463682 803247351 /nfs/dbraw/zinc/24/73/51/803247351.db2.gz BEHAFDUUMYLKBJ-QPUJVOFHSA-N 2 2 280.759 0.968 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2c[nH]c3ncc(Cl)cc23)C[C@H]1O ZINC001206463682 803247357 /nfs/dbraw/zinc/24/73/57/803247357.db2.gz BEHAFDUUMYLKBJ-QPUJVOFHSA-N 2 2 280.759 0.968 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cn2)C[C@@H]1O ZINC001206518664 803256651 /nfs/dbraw/zinc/25/66/51/803256651.db2.gz DEDJUZDUVJAEAU-KWQFWETISA-N 2 2 275.274 0.852 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cn2)C[C@@H]1O ZINC001206518664 803256660 /nfs/dbraw/zinc/25/66/60/803256660.db2.gz DEDJUZDUVJAEAU-KWQFWETISA-N 2 2 275.274 0.852 20 0 CCADLP C(C[NH+]1CCOCC1)N1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC001207957036 803471506 /nfs/dbraw/zinc/47/15/06/803471506.db2.gz DQBPLBNEOWIHKA-INIZCTEOSA-N 2 2 297.443 0.505 20 0 CCADLP C[NH+](C)CC1(C[N@@H+]2CCN3C(=O)COC[C@@H]3C2)CCCC1 ZINC001208186184 803496917 /nfs/dbraw/zinc/49/69/17/803496917.db2.gz OHXDGTJWCRLPPQ-AWEZNQCLSA-N 2 2 295.427 0.651 20 0 CCADLP C[NH+](C)CC1(C[N@H+]2CCN3C(=O)COC[C@@H]3C2)CCCC1 ZINC001208186184 803496919 /nfs/dbraw/zinc/49/69/19/803496919.db2.gz OHXDGTJWCRLPPQ-AWEZNQCLSA-N 2 2 295.427 0.651 20 0 CCADLP COCC[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001208299976 803502745 /nfs/dbraw/zinc/50/27/45/803502745.db2.gz UOOSNYKTSWYVNR-CYBMUJFWSA-N 2 2 280.372 0.569 20 0 CCADLP COCC[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001208299976 803502747 /nfs/dbraw/zinc/50/27/47/803502747.db2.gz UOOSNYKTSWYVNR-CYBMUJFWSA-N 2 2 280.372 0.569 20 0 CCADLP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3ccns3)C[C@@H]21 ZINC001276591860 803550570 /nfs/dbraw/zinc/55/05/70/803550570.db2.gz RSNVFVUAZYAJJM-KBPBESRZSA-N 2 2 296.440 0.590 20 0 CCADLP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3ccns3)C[C@@H]21 ZINC001276591860 803550574 /nfs/dbraw/zinc/55/05/74/803550574.db2.gz RSNVFVUAZYAJJM-KBPBESRZSA-N 2 2 296.440 0.590 20 0 CCADLP CCc1nccc(C[NH+]2CC3(CN(CC[NH+](C)C)C3)C2)n1 ZINC001276605088 803561319 /nfs/dbraw/zinc/56/13/19/803561319.db2.gz ZXMYAPDFUDKESY-UHFFFAOYSA-N 2 2 289.427 0.718 20 0 CCADLP O=C(N[C@@H](C[NH2+]CCF)C1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001276611613 803571637 /nfs/dbraw/zinc/57/16/37/803571637.db2.gz JUOBYMWFEDSPKH-OCCSQVGLSA-N 2 2 294.374 0.899 20 0 CCADLP COCC(=O)NC1CC[NH+](Cc2c[nH+]ccc2N)CC1 ZINC001209735638 803627196 /nfs/dbraw/zinc/62/71/96/803627196.db2.gz ZGXAYTRQKYLZST-UHFFFAOYSA-N 2 2 278.356 0.221 20 0 CCADLP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1[nH]nc3c1CCC3)C2 ZINC001276674585 803633049 /nfs/dbraw/zinc/63/30/49/803633049.db2.gz QSQGXLMAYZLOIO-UHFFFAOYSA-N 2 2 289.427 0.578 20 0 CCADLP COCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001211452395 803682019 /nfs/dbraw/zinc/68/20/19/803682019.db2.gz XRNJBVVAFNMYSE-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP COCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001211452395 803682021 /nfs/dbraw/zinc/68/20/21/803682021.db2.gz XRNJBVVAFNMYSE-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1nc(C2CC2)cs1 ZINC001218500436 803967021 /nfs/dbraw/zinc/96/70/21/803967021.db2.gz BHHIQASUUKNUCS-YUMQZZPRSA-N 2 2 252.343 0.506 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cc(C2CCCC2)no1 ZINC001218506791 803972742 /nfs/dbraw/zinc/97/27/42/803972742.db2.gz BLLQTFILRJXTKG-VIFPVBQESA-N 2 2 252.318 0.947 20 0 CCADLP COc1ccc2[nH]c(NC(=O)[C@@H]([NH3+])CC[NH3+])nc2c1 ZINC001218520385 803982295 /nfs/dbraw/zinc/98/22/95/803982295.db2.gz AGTWGMJBFYQDQZ-QMMMGPOBSA-N 2 2 263.301 0.186 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)Nc2ncnn3cccc23)cc1 ZINC001218564238 804009128 /nfs/dbraw/zinc/00/91/28/804009128.db2.gz GHGYZLSPFVXSBB-GFCCVEGCSA-N 2 2 296.334 0.362 20 0 CCADLP Cc1nc(Br)ccc1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218571664 804014633 /nfs/dbraw/zinc/01/46/33/804014633.db2.gz ZCHOPTJVMVIGGE-ZETCQYMHSA-N 2 2 287.161 0.767 20 0 CCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)Nc2ccc(OCC3CCC3)nc2)C1 ZINC001218592164 804024418 /nfs/dbraw/zinc/02/44/18/804024418.db2.gz QZDMMLIZGQVPHI-AAEUAGOBSA-N 2 2 290.367 0.888 20 0 CCADLP COc1ncc(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)cn1 ZINC001218593768 804025334 /nfs/dbraw/zinc/02/53/34/804025334.db2.gz ODYSRUXMCSOZGM-LBPRGKRZSA-N 2 2 287.323 0.696 20 0 CCADLP Cc1nc(Cl)c(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c(Cl)n1 ZINC001218595188 804028355 /nfs/dbraw/zinc/02/83/55/804028355.db2.gz MMKTUCKTMYEXNG-RITPCOANSA-N 2 2 290.154 0.720 20 0 CCADLP Nc1cc[nH+]c(-c2cc(NC(=O)C[C@H](O)C[NH3+])ccn2)c1 ZINC001218611973 804032771 /nfs/dbraw/zinc/03/27/71/804032771.db2.gz KMUJXGHRFPUDAT-NSHDSACASA-N 2 2 287.323 0.374 20 0 CCADLP [NH3+]CCCC[C@H]([NH3+])CC(=O)Nc1cc[nH+]c2c1CCC2 ZINC001218619540 804036315 /nfs/dbraw/zinc/03/63/15/804036315.db2.gz DAEJEEYRVYTGSZ-NSHDSACASA-N 3 2 276.384 0.777 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc[nH]c1=S ZINC001218620624 804037688 /nfs/dbraw/zinc/03/76/88/804037688.db2.gz BZVAZLOXYUFKBT-QMMMGPOBSA-N 2 2 263.326 0.602 20 0 CCADLP Cn1ncc(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)n1 ZINC001218627126 804045002 /nfs/dbraw/zinc/04/50/02/804045002.db2.gz SOAOFMYUMBZKSY-SNVBAGLBSA-N 2 2 260.301 0.026 20 0 CCADLP CC(=O)Nc1cc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)ccn1 ZINC001218649596 804057621 /nfs/dbraw/zinc/05/76/21/804057621.db2.gz GVCMLCALWYJSHJ-NSHDSACASA-N 2 2 288.311 0.272 20 0 CCADLP Cc1cccc2ncc(NC(=O)C3([NH3+])CC[NH2+]CC3)n21 ZINC001218737004 804100797 /nfs/dbraw/zinc/10/07/97/804100797.db2.gz LXFYZOHMICYQTJ-UHFFFAOYSA-N 2 2 273.340 0.662 20 0 CCADLP Cc1cc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)n(CCF)n1 ZINC001218743066 804105273 /nfs/dbraw/zinc/10/52/73/804105273.db2.gz FQPCOTORQGGVKN-BREBYQMCSA-N 2 2 281.335 0.321 20 0 CCADLP CC(C)Cn1cnc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)c1 ZINC001218747300 804108294 /nfs/dbraw/zinc/10/82/94/804108294.db2.gz CFAMKRWOOLNKQX-LBPRGKRZSA-N 2 2 290.371 0.781 20 0 CCADLP CC(C)Cn1cnc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c1 ZINC001218748733 804108550 /nfs/dbraw/zinc/10/85/50/804108550.db2.gz UQUHMBADNKINFH-UWVGGRQHSA-N 2 2 251.334 0.024 20 0 CCADLP Cc1ccc(Br)nc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218749492 804110036 /nfs/dbraw/zinc/11/00/36/804110036.db2.gz CNQWMALIMIXWMW-SFYZADRCSA-N 2 2 299.172 0.780 20 0 CCADLP COc1cc(OC)c(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)cn1 ZINC001218759606 804112923 /nfs/dbraw/zinc/11/29/23/804112923.db2.gz LTGIRGGXLRRJRT-NUPCCRGMSA-N 2 2 292.339 0.259 20 0 CCADLP [NH3+]C1(C(=O)Nc2cnn(C(F)F)c2)CC[NH2+]CC1 ZINC001218772618 804118187 /nfs/dbraw/zinc/11/81/87/804118187.db2.gz QXJLMOSGJIBVOT-UHFFFAOYSA-N 2 2 259.260 0.298 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1cnc2nccn2c1 ZINC001218785017 804118737 /nfs/dbraw/zinc/11/87/37/804118737.db2.gz OGPCASCLBHRQPK-UHFFFAOYSA-N 2 2 274.328 0.009 20 0 CCADLP CCc1nccc(C)c1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218801991 804126325 /nfs/dbraw/zinc/12/63/25/804126325.db2.gz JIVPXXROHDYKON-UHFFFAOYSA-N 2 2 262.357 0.972 20 0 CCADLP O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1C[NH2+]C[C@H]1O ZINC001218849253 804139260 /nfs/dbraw/zinc/13/92/60/804139260.db2.gz XSKQHAJLKSLZDS-UONOGXRCSA-N 2 2 286.335 0.450 20 0 CCADLP Cc1cc2c(cccc2NC(=O)C2([NH3+])CC[NH2+]CC2)nn1 ZINC001218860328 804140503 /nfs/dbraw/zinc/14/05/03/804140503.db2.gz WQYOLDVAYTZHPM-UHFFFAOYSA-N 2 2 285.351 0.958 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cccc(-c3nnco3)c2)C1 ZINC001218863678 804140581 /nfs/dbraw/zinc/14/05/81/804140581.db2.gz ZQNUUNIWKDTFDP-KOLCDFICSA-N 2 2 273.296 0.364 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cccc3cnncc32)C1 ZINC001218892524 804149892 /nfs/dbraw/zinc/14/98/92/804149892.db2.gz XCZKDXSVGHTCKB-SKDRFNHKSA-N 2 2 257.297 0.258 20 0 CCADLP Cc1ccc(NC(=O)[C@@H](N)C[NH+]2CCC([NH3+])CC2)cc1O ZINC001218898384 804151278 /nfs/dbraw/zinc/15/12/78/804151278.db2.gz WBWPNERKQISUBH-ZDUSSCGKSA-N 2 2 292.383 0.390 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccccc1-c1nc[nH]n1 ZINC001218975551 804171224 /nfs/dbraw/zinc/17/12/24/804171224.db2.gz PMISRUNPIMNEBS-VIFPVBQESA-N 2 2 260.301 0.086 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1cccc2c1C[NH2+]C2 ZINC001218994097 804178175 /nfs/dbraw/zinc/17/81/75/804178175.db2.gz AJNHPXDTVURLHJ-ZDUSSCGKSA-N 3 2 285.351 0.532 20 0 CCADLP COc1ccc(N)c(NC(=O)C2([NH3+])CC[NH2+]CC2)c1 ZINC001219142045 804216372 /nfs/dbraw/zinc/21/63/72/804216372.db2.gz IYSLEFIMIFNFKT-UHFFFAOYSA-N 2 2 264.329 0.297 20 0 CCADLP Nc1ccc2c(c1)CCCN2C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001219266754 804253504 /nfs/dbraw/zinc/25/35/04/804253504.db2.gz VOLHOFQVLKAUON-NEPJUHHUSA-N 2 2 260.341 0.237 20 0 CCADLP COc1ccc2ccc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc2n1 ZINC001219407226 804299799 /nfs/dbraw/zinc/29/97/99/804299799.db2.gz YQDNBJZLWKKARQ-NSHDSACASA-N 2 2 274.324 0.858 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)c1ccncc1 ZINC001219600250 804368252 /nfs/dbraw/zinc/36/82/52/804368252.db2.gz MVCGZGRSXRMMDP-LPTSXCQYSA-N 2 2 260.341 0.209 20 0 CCADLP C[C@@H]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219673357 804401917 /nfs/dbraw/zinc/40/19/17/804401917.db2.gz HQUSDHJQYCCGNJ-IKOXMDCHSA-N 2 2 265.401 0.879 20 0 CCADLP C[C@@H](NC(=O)C1([NH3+])CC[NH2+]CC1)c1cnc2ccccn21 ZINC001219701568 804409663 /nfs/dbraw/zinc/40/96/63/804409663.db2.gz OEHNPRULEBHPPG-LLVKDONJSA-N 2 2 287.367 0.592 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)c1cnc2ccccn21 ZINC001219703658 804409873 /nfs/dbraw/zinc/40/98/73/804409873.db2.gz OIYPWUSITJYENL-MXWKQRLJSA-N 2 2 273.340 0.201 20 0 CCADLP O=C(NCCC[NH2+]C1CCCCC1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219951826 804455914 /nfs/dbraw/zinc/45/59/14/804455914.db2.gz DCGJRKAANRFUFQ-AEGPPILISA-N 3 2 294.443 0.365 20 0 CCADLP Cc1c[nH]c(CCNC(=O)[C@@H]2C[C@@H](F)CC[NH2+]2)[nH+]1 ZINC001219952247 804456185 /nfs/dbraw/zinc/45/61/85/804456185.db2.gz QGPZUZJBNLNXSO-UWVGGRQHSA-N 2 2 254.309 0.467 20 0 CCADLP Cc1c[nH]c(CCNC(=O)C[C@H]2CCC[NH2+]C2)[nH+]1 ZINC001219952523 804456392 /nfs/dbraw/zinc/45/63/92/804456392.db2.gz XFHMUJTUUWVGJG-LLVKDONJSA-N 2 2 250.346 0.767 20 0 CCADLP O=C(NCCC[NH2+]C1CCCCC1)C1(F)C[NH2+]C1 ZINC001219951992 804456558 /nfs/dbraw/zinc/45/65/58/804456558.db2.gz KONWKUQQTMWQCE-UHFFFAOYSA-N 2 2 257.353 0.727 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2ccc(-c3ncon3)cc2)C1 ZINC001220004854 804468403 /nfs/dbraw/zinc/46/84/03/804468403.db2.gz GYQFZDXVJTYRDG-NEPJUHHUSA-N 2 2 287.323 0.042 20 0 CCADLP O=C(NCc1nccc2ccccc21)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220046822 804483491 /nfs/dbraw/zinc/48/34/91/804483491.db2.gz FTMIOGUHPLGBPH-SUMWQHHRSA-N 2 2 296.374 0.803 20 0 CCADLP COC(=O)[C@@H]([NH3+])CCC(=O)N(C(N)=[NH2+])c1ccccc1F ZINC001220106052 804501878 /nfs/dbraw/zinc/50/18/78/804501878.db2.gz AFEMMJZKLSMOPV-VIFPVBQESA-N 2 2 296.302 0.333 20 0 CCADLP C[NH2+][C@H](C(=O)NC1C[NH+](C(C)C)C1)[C@@H](C)OC(C)(C)C ZINC001220159093 804522053 /nfs/dbraw/zinc/52/20/53/804522053.db2.gz MJTLEEMCTZOION-YPMHNXCESA-N 2 2 285.432 0.987 20 0 CCADLP [NH3+]Cc1ccccc1C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001220197442 804533973 /nfs/dbraw/zinc/53/39/73/804533973.db2.gz CVILKMFYIYHUFQ-UHFFFAOYSA-N 2 2 289.379 0.740 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NCCC2COC2)cc1 ZINC001220340514 804577913 /nfs/dbraw/zinc/57/79/13/804577913.db2.gz HUSVBHHGZDTBOP-CYBMUJFWSA-N 2 2 263.341 0.411 20 0 CCADLP O=C(NCCc1c[nH]c2cccnc12)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220384060 804591342 /nfs/dbraw/zinc/59/13/42/804591342.db2.gz IJCQPTKEYOAXDG-MLGOLLRUSA-N 2 2 299.378 0.173 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](O)C1CCCCC1 ZINC001220467486 804610660 /nfs/dbraw/zinc/61/06/60/804610660.db2.gz YCHWCSBWSGNOOW-CHWSQXEVSA-N 2 2 280.372 0.337 20 0 CCADLP [NH3+][C@@H](Cc1ccsc1)C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001220570854 804625677 /nfs/dbraw/zinc/62/56/77/804625677.db2.gz BKYYIEPYOBQVLQ-LBPRGKRZSA-N 2 2 295.408 0.066 20 0 CCADLP [NH3+][C@@H](C(=O)NCC[NH+]1CC2(COC2)C1)c1ccccc1 ZINC001220571375 804627658 /nfs/dbraw/zinc/62/76/58/804627658.db2.gz PYDCQGDSCVEBLK-CYBMUJFWSA-N 2 2 275.352 0.135 20 0 CCADLP COC(CCCNC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)OC ZINC001220743750 804659503 /nfs/dbraw/zinc/65/95/03/804659503.db2.gz OPNFHOQRSJKTSJ-ZDUSSCGKSA-N 2 2 295.383 0.774 20 0 CCADLP O=C(NCc1sccc1Cl)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220821708 804672996 /nfs/dbraw/zinc/67/29/96/804672996.db2.gz OZPAPWKHEKLWMM-PELKAZGASA-N 2 2 285.800 0.969 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NC2(c3ncccn3)CC2)cc1 ZINC001220934165 804702248 /nfs/dbraw/zinc/70/22/48/804702248.db2.gz KITOGMUAXOLYEJ-ZDUSSCGKSA-N 2 2 297.362 0.854 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H]1CCc2ccccc21 ZINC001221102767 804730507 /nfs/dbraw/zinc/73/05/07/804730507.db2.gz AADSTJBOAHCDQP-XBFCOCLRSA-N 2 2 259.353 0.379 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O ZINC001221161238 804736965 /nfs/dbraw/zinc/73/69/65/804736965.db2.gz BZLXZXUPGXEJGU-OLZOCXBDSA-N 2 2 298.362 0.184 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O ZINC001221161238 804736972 /nfs/dbraw/zinc/73/69/72/804736972.db2.gz BZLXZXUPGXEJGU-OLZOCXBDSA-N 2 2 298.362 0.184 20 0 CCADLP CC(C)(C)[NH+]1CC(NC(=O)c2ccc([C@@H](N)C[NH3+])cc2)C1 ZINC001221195708 804744228 /nfs/dbraw/zinc/74/42/28/804744228.db2.gz DKRXRQAMDPZPFX-AWEZNQCLSA-N 2 2 290.411 0.858 20 0 CCADLP O=C(N[C@@H]1CCCc2cnccc21)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221292042 804768350 /nfs/dbraw/zinc/76/83/50/804768350.db2.gz CYXCLPNSAMZCQM-JGGQBBKZSA-N 2 2 286.379 0.527 20 0 CCADLP CCCC(C[NH3+])(CCC)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001221371998 804791387 /nfs/dbraw/zinc/79/13/87/804791387.db2.gz JURCXTXISCSNIF-LBPRGKRZSA-N 2 2 271.405 0.731 20 0 CCADLP CCCC(C[NH3+])(CCC)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001221371998 804791395 /nfs/dbraw/zinc/79/13/95/804791395.db2.gz JURCXTXISCSNIF-LBPRGKRZSA-N 2 2 271.405 0.731 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001221407784 804809064 /nfs/dbraw/zinc/80/90/64/804809064.db2.gz MQFOKRUUCBJDEZ-KWCYVHTRSA-N 3 2 293.415 0.515 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001221407784 804809072 /nfs/dbraw/zinc/80/90/72/804809072.db2.gz MQFOKRUUCBJDEZ-KWCYVHTRSA-N 3 2 293.415 0.515 20 0 CCADLP Fc1ccc(CN2CC[NH2+]C3(CC[NH2+]CC3)C2)nc1 ZINC001222086524 804867055 /nfs/dbraw/zinc/86/70/55/804867055.db2.gz ZUYWJLLQGLZVPT-UHFFFAOYSA-N 2 2 264.348 0.748 20 0 CCADLP Fc1ccnc(CN2CC[NH2+]C3(CC[NH2+]CC3)C2)c1 ZINC001222100000 804871075 /nfs/dbraw/zinc/87/10/75/804871075.db2.gz PTLFJPDQBCQWQP-UHFFFAOYSA-N 2 2 264.348 0.748 20 0 CCADLP [NH3+]Cc1ccc(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001222502636 804908201 /nfs/dbraw/zinc/90/82/01/804908201.db2.gz OWNBXNIYKZOGJQ-HOTGVXAUSA-N 3 2 274.412 0.671 20 0 CCADLP [NH3+]Cc1ccc(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1 ZINC001222502636 804908206 /nfs/dbraw/zinc/90/82/06/804908206.db2.gz OWNBXNIYKZOGJQ-HOTGVXAUSA-N 3 2 274.412 0.671 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCC1CC[NH+](CCCO)CC1 ZINC001223042719 804950345 /nfs/dbraw/zinc/95/03/45/804950345.db2.gz FYKNPLGMKGLSKR-UHFFFAOYSA-N 2 2 294.399 0.553 20 0 CCADLP C[NH+]1CCN(CCOC2C[NH+](C(C)(C)C)C2)CC1 ZINC001224551756 805051600 /nfs/dbraw/zinc/05/16/00/805051600.db2.gz KNTPBHKJQPLSMH-UHFFFAOYSA-N 2 2 255.406 0.733 20 0 CCADLP CN1CC[NH+](CCOC2C[NH+](C(C)(C)C)C2)CC1 ZINC001224551756 805051611 /nfs/dbraw/zinc/05/16/11/805051611.db2.gz KNTPBHKJQPLSMH-UHFFFAOYSA-N 2 2 255.406 0.733 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC1CC[NH+](CCCO)CC1 ZINC001224981596 805097277 /nfs/dbraw/zinc/09/72/77/805097277.db2.gz ZXLOXZDRGWUHQU-UHFFFAOYSA-N 2 2 280.372 0.163 20 0 CCADLP Cn1c(C[NH+]2CC3(CCN3CC[NH+](C)C)C2)cccc1=O ZINC001277315782 805457985 /nfs/dbraw/zinc/45/79/85/805457985.db2.gz KIFSZAJKFHLFKT-UHFFFAOYSA-N 2 2 290.411 0.207 20 0 CCADLP C[C@@H](O)C[NH+]1CCC(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001229558921 805541951 /nfs/dbraw/zinc/54/19/51/805541951.db2.gz KOCQROYXIRRMTG-VXGBXAGGSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@@H](O)C[NH+]1CCC(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001229558921 805541957 /nfs/dbraw/zinc/54/19/57/805541957.db2.gz KOCQROYXIRRMTG-VXGBXAGGSA-N 2 2 294.399 0.550 20 0 CCADLP Nc1cc(-c2cnc(N3CC[NH2+]CC3)nc2)cc[nH+]1 ZINC001241898156 806984068 /nfs/dbraw/zinc/98/40/68/806984068.db2.gz ZAAXQZWHWRWRQM-UHFFFAOYSA-N 2 2 256.313 0.530 20 0 CCADLP C[NH+]1CCN(c2cc(C3=C[NH2+]CCC3)ncn2)CC1 ZINC001243950172 807048057 /nfs/dbraw/zinc/04/80/57/807048057.db2.gz XFHCNKFQGYDVTR-UHFFFAOYSA-N 2 2 259.357 0.953 20 0 CCADLP CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000989730910 815089058 /nfs/dbraw/zinc/08/90/58/815089058.db2.gz RPHNOIQQRJLUHO-KOLCDFICSA-N 2 2 250.346 0.860 20 0 CCADLP CC(C)(C)[C@H](O)C[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001245986359 807108738 /nfs/dbraw/zinc/10/87/38/807108738.db2.gz PCNYAEDLARMQQD-CHWSQXEVSA-N 3 2 269.433 0.857 20 0 CCADLP OCCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC001246011778 807114478 /nfs/dbraw/zinc/11/44/78/807114478.db2.gz UJYXTIXYTJGUIK-HUUCEWRRSA-N 2 2 294.395 0.303 20 0 CCADLP O[C@H](COCc1ccco1)C[N@@H+]1CCC[NH2+]CC1 ZINC001246016053 807116965 /nfs/dbraw/zinc/11/69/65/807116965.db2.gz YXFNUTQRGWGUMH-LBPRGKRZSA-N 2 2 254.330 0.452 20 0 CCADLP O[C@H](COCc1ccco1)C[N@H+]1CCC[NH2+]CC1 ZINC001246016053 807116969 /nfs/dbraw/zinc/11/69/69/807116969.db2.gz YXFNUTQRGWGUMH-LBPRGKRZSA-N 2 2 254.330 0.452 20 0 CCADLP COc1cccc([C@H](O)C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1 ZINC001246022361 807122183 /nfs/dbraw/zinc/12/21/83/807122183.db2.gz NPVOXXNOJOGYEB-MGPQQGTHSA-N 2 2 266.341 0.123 20 0 CCADLP CCCOC[C@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C(F)(F)F)C1 ZINC001246053498 807135327 /nfs/dbraw/zinc/13/53/27/807135327.db2.gz RNYOCSSEUCOWOD-VWYCJHECSA-N 2 2 284.322 0.985 20 0 CCADLP O[C@]1(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)CCC[NH2+]C1 ZINC001246059695 807136984 /nfs/dbraw/zinc/13/69/84/807136984.db2.gz LVASUMMWZNOZLF-MGPQQGTHSA-N 3 2 253.390 0.175 20 0 CCADLP O[C@]1(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)CCC[NH2+]C1 ZINC001246059695 807136987 /nfs/dbraw/zinc/13/69/87/807136987.db2.gz LVASUMMWZNOZLF-MGPQQGTHSA-N 3 2 253.390 0.175 20 0 CCADLP [NH3+]C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc(F)c1 ZINC001246067549 807139536 /nfs/dbraw/zinc/13/95/36/807139536.db2.gz UCWZHNRFMHNKIX-CHWSQXEVSA-N 2 2 268.332 0.989 20 0 CCADLP [NH3+]C[C@H]1CCC[N@H+]1C[C@@H](O)COc1cccc(F)c1 ZINC001246067549 807139541 /nfs/dbraw/zinc/13/95/41/807139541.db2.gz UCWZHNRFMHNKIX-CHWSQXEVSA-N 2 2 268.332 0.989 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[NH2+]C2)CCN1 ZINC001246089594 807150409 /nfs/dbraw/zinc/15/04/09/807150409.db2.gz GTEJICQQVSVKDZ-UTUOFQBUSA-N 2 2 255.362 0.012 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@]2(F)CCCC[NH2+]C2)CN1 ZINC001246115125 807157154 /nfs/dbraw/zinc/15/71/54/807157154.db2.gz QZWWDMKDMHJQJP-SGMGOOAPSA-N 2 2 287.379 0.351 20 0 CCADLP CC(=O)N1CCC([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001246122696 807159716 /nfs/dbraw/zinc/15/97/16/807159716.db2.gz BTUFLRBSZMGGOQ-HNNXBMFYSA-N 3 2 294.443 0.461 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N[C@H]2C[NH2+]CC23CC3)C[NH2+]1 ZINC001246130557 807160641 /nfs/dbraw/zinc/16/06/41/807160641.db2.gz HYRKXHATLDUIFK-WOPDTQHZSA-N 2 2 281.400 0.400 20 0 CCADLP [NH3+]CC[N@H+](Cc1ccccc1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246126640 807161371 /nfs/dbraw/zinc/16/13/71/807161371.db2.gz IFOZHPGAVHOYOE-HNNXBMFYSA-N 3 2 274.412 0.541 20 0 CCADLP [NH3+]CC[N@@H+](Cc1ccccc1)[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246126640 807161373 /nfs/dbraw/zinc/16/13/73/807161373.db2.gz IFOZHPGAVHOYOE-HNNXBMFYSA-N 3 2 274.412 0.541 20 0 CCADLP C[NH2+]CC[C@H](C)[NH2+][C@@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001246160880 807172035 /nfs/dbraw/zinc/17/20/35/807172035.db2.gz PTPKVVCISACJID-BFHYXJOUSA-N 3 2 255.406 0.875 20 0 CCADLP CCCC[N@H+](CC)CCN[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246162985 807172301 /nfs/dbraw/zinc/17/23/01/807172301.db2.gz UPAKHTBSCXJSSP-STQMWFEESA-N 2 2 271.405 0.602 20 0 CCADLP CCCC[N@@H+](CC)CCN[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246162985 807172305 /nfs/dbraw/zinc/17/23/05/807172305.db2.gz UPAKHTBSCXJSSP-STQMWFEESA-N 2 2 271.405 0.602 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@@H](CCC(=O)OC(C)(C)C)C(N)=O)CC[NH2+]1 ZINC001246268392 807202415 /nfs/dbraw/zinc/20/24/15/807202415.db2.gz PKSYQVKTBIHHSM-UTUOFQBUSA-N 2 2 299.415 0.692 20 0 CCADLP COc1ccccc1C[C@H](C)[NH2+][C@H]1C[NH2+]C[C@H]1CO ZINC001246304083 807215999 /nfs/dbraw/zinc/21/59/99/807215999.db2.gz GTQQNKDJVYWMLT-UBHSHLNASA-N 2 2 264.369 0.796 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@@H]1[NH2+][C@@H]1CCc2cccc(F)c2C1 ZINC001246302342 807216138 /nfs/dbraw/zinc/21/61/38/807216138.db2.gz DARPDOLJFDNNPQ-ZOWXZIJZSA-N 2 2 264.344 0.853 20 0 CCADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@@H]1C[NH2+]C[C@H]1CO ZINC001246308995 807217176 /nfs/dbraw/zinc/21/71/76/807217176.db2.gz QMWGTIRUSWJTTH-BFHYXJOUSA-N 2 2 292.379 0.906 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@H]1[NH2+]C1Cc2cc(F)c(F)cc2C1 ZINC001246306751 807217654 /nfs/dbraw/zinc/21/76/54/807217654.db2.gz LHCYUHVIJCTYNZ-IINYFYTJSA-N 2 2 268.307 0.602 20 0 CCADLP COC(=O)[C@H](CCC[NH3+])[NH2+][C@@H]1CCC[C@H](C(=O)OC)C1 ZINC001246401120 807243444 /nfs/dbraw/zinc/24/34/44/807243444.db2.gz KIQXGVFJQBHZHJ-TUAOUCFPSA-N 2 2 286.372 0.588 20 0 CCADLP COCCC1([NH3+])CC[NH+]([C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246422745 807250146 /nfs/dbraw/zinc/25/01/46/807250146.db2.gz FHIIOLFMHXVYPG-CHWSQXEVSA-N 3 2 255.406 0.957 20 0 CCADLP COCCOc1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)ncn1 ZINC001246437202 807251751 /nfs/dbraw/zinc/25/17/51/807251751.db2.gz ZYIFMEXIRXTDRK-NWDGAFQWSA-N 2 2 280.372 0.732 20 0 CCADLP CC[C@@]1(N[C@@H]2C[NH2+][C@H](C(=O)OC(C)(C)C)C2)CC[NH2+]C1 ZINC001246467000 807257606 /nfs/dbraw/zinc/25/76/06/807257606.db2.gz YHKXDRMAAIOBJR-SLEUVZQESA-N 2 2 283.416 0.790 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H](N[C@H](C[NH3+])CC(C)C)C[NH2+]1 ZINC001246504268 807267914 /nfs/dbraw/zinc/26/79/14/807267914.db2.gz PUCYXDLNYKEVML-SGMGOOAPSA-N 2 2 271.405 0.633 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([N@@H+]2CCC[C@@]23CCC[NH2+]C3)CCN1 ZINC001246609602 807322641 /nfs/dbraw/zinc/32/26/41/807322641.db2.gz MAKCRTJVOQJXSX-KCQAQPDRSA-N 2 2 281.400 0.498 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([N@H+]2CCC[C@@]23CCC[NH2+]C3)CCN1 ZINC001246609602 807322650 /nfs/dbraw/zinc/32/26/50/807322650.db2.gz MAKCRTJVOQJXSX-KCQAQPDRSA-N 2 2 281.400 0.498 20 0 CCADLP OC[C@@H]1C[C@H]2OCC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@H]2C1 ZINC001246654324 807347659 /nfs/dbraw/zinc/34/76/59/807347659.db2.gz JXTYLFPKFQPGHR-ZRGDOOIKSA-N 2 2 266.385 0.741 20 0 CCADLP OC[C@@H]1C[C@H]2OCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@H]2C1 ZINC001246654324 807347665 /nfs/dbraw/zinc/34/76/65/807347665.db2.gz JXTYLFPKFQPGHR-ZRGDOOIKSA-N 2 2 266.385 0.741 20 0 CCADLP CN1C[C@]2(CC1=O)CCCC[N@@H+]2[C@H]1CCC[NH2+]C1 ZINC001246719285 807365311 /nfs/dbraw/zinc/36/53/11/807365311.db2.gz YTTWDOFAVJZRFK-GXTWGEPZSA-N 2 2 251.374 0.825 20 0 CCADLP CN1C[C@]2(CC1=O)CCCC[N@H+]2[C@H]1CCC[NH2+]C1 ZINC001246719285 807365319 /nfs/dbraw/zinc/36/53/19/807365319.db2.gz YTTWDOFAVJZRFK-GXTWGEPZSA-N 2 2 251.374 0.825 20 0 CCADLP CN1C[C@@]2(CC1=O)CCCC[N@@H+]2[C@@H]1CCC[NH2+]C1 ZINC001246719564 807367222 /nfs/dbraw/zinc/36/72/22/807367222.db2.gz YTTWDOFAVJZRFK-OCCSQVGLSA-N 2 2 251.374 0.825 20 0 CCADLP CN1C[C@@]2(CC1=O)CCCC[N@H+]2[C@@H]1CCC[NH2+]C1 ZINC001246719564 807367229 /nfs/dbraw/zinc/36/72/29/807367229.db2.gz YTTWDOFAVJZRFK-OCCSQVGLSA-N 2 2 251.374 0.825 20 0 CCADLP O=C(C1CC[NH+]([C@H]2CCC[NH2+]C2)CC1)N1CCOCC1 ZINC001246782628 807376263 /nfs/dbraw/zinc/37/62/63/807376263.db2.gz UCSHXBBEVFVERO-AWEZNQCLSA-N 2 2 281.400 0.309 20 0 CCADLP C[C@H]1CC[C@@H](N2CC[NH+](CC(=O)N3CCCC3)CC2)C[NH2+]1 ZINC001246790318 807382225 /nfs/dbraw/zinc/38/22/25/807382225.db2.gz NMQPPDDSMFUDEP-LSDHHAIUSA-N 2 2 294.443 0.367 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N2CC[NH+](CC3CCCC3)CC2)C[NH2+]1 ZINC001246794138 807383563 /nfs/dbraw/zinc/38/35/63/807383563.db2.gz GBVAOZIQUWPCSN-GJZGRUSLSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]1CC[C@@H](N2CC[N@H+](CC(N)=O)C(C)(C)C2)C[NH2+]1 ZINC001246820959 807395428 /nfs/dbraw/zinc/39/54/28/807395428.db2.gz RJYCGCIEKQZYFV-VXGBXAGGSA-N 2 2 268.405 0.008 20 0 CCADLP C[C@@H]1CC[C@@H](N2CC[N@@H+](CC(N)=O)C(C)(C)C2)C[NH2+]1 ZINC001246820959 807395436 /nfs/dbraw/zinc/39/54/36/807395436.db2.gz RJYCGCIEKQZYFV-VXGBXAGGSA-N 2 2 268.405 0.008 20 0 CCADLP COC(=O)[C@@H]1COCCC12C[NH+]([C@@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246854945 807408053 /nfs/dbraw/zinc/40/80/53/807408053.db2.gz RMNDWMZDGOTSGF-XQQFMLRXSA-N 2 2 282.384 0.638 20 0 CCADLP CCOC(=O)[C@]12C[N@@H+]([C@H]3CCCC[NH2+]C3)C[C@H]1C[NH2+]CC2 ZINC001246855638 807408341 /nfs/dbraw/zinc/40/83/41/807408341.db2.gz AIXOVLMJVXMPPK-IJEWVQPXSA-N 3 2 295.427 0.603 20 0 CCADLP CCOC(=O)[C@]12C[N@H+]([C@H]3CCCC[NH2+]C3)C[C@H]1C[NH2+]CC2 ZINC001246855638 807408344 /nfs/dbraw/zinc/40/83/44/807408344.db2.gz AIXOVLMJVXMPPK-IJEWVQPXSA-N 3 2 295.427 0.603 20 0 CCADLP c1ncc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cn1 ZINC001246872954 807416060 /nfs/dbraw/zinc/41/60/60/807416060.db2.gz RZFNSFWNLLKYGO-PBWFPOADSA-N 2 2 273.384 0.882 20 0 CCADLP C1[C@@H]2C[NH2+]C[C@H]2[N@@H+]1C1CCC2(CC1)C[NH2+]CCO2 ZINC001246923267 807428919 /nfs/dbraw/zinc/42/89/19/807428919.db2.gz XLHCRLHMZSWMIO-RJZJGCCBSA-N 3 2 251.374 0.191 20 0 CCADLP C1[C@@H]2C[NH2+]C[C@H]2[N@H+]1C1CCC2(CC1)C[NH2+]CCO2 ZINC001246923267 807428925 /nfs/dbraw/zinc/42/89/25/807428925.db2.gz XLHCRLHMZSWMIO-RJZJGCCBSA-N 3 2 251.374 0.191 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+]([C@H]2CCC[C@@H](C(=O)OC)CC2)C[C@H]1[NH3+] ZINC001246937801 807436135 /nfs/dbraw/zinc/43/61/35/807436135.db2.gz NZEDLJSRVWYGMF-YVECIDJPSA-N 2 2 298.383 0.540 20 0 CCADLP COC(=O)[C@@H]1C[N@H+]([C@H]2CCC[C@@H](C(=O)OC)CC2)C[C@H]1[NH3+] ZINC001246937801 807436139 /nfs/dbraw/zinc/43/61/39/807436139.db2.gz NZEDLJSRVWYGMF-YVECIDJPSA-N 2 2 298.383 0.540 20 0 CCADLP C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)CC[NH2+]1 ZINC001246956615 807440461 /nfs/dbraw/zinc/44/04/61/807440461.db2.gz ZJKUKXFBSNCIIJ-MGPQQGTHSA-N 3 2 282.432 0.269 20 0 CCADLP C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)CC[NH2+]1 ZINC001246956615 807440464 /nfs/dbraw/zinc/44/04/64/807440464.db2.gz ZJKUKXFBSNCIIJ-MGPQQGTHSA-N 3 2 282.432 0.269 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N(c2ccccn2)[C@@H]2CC[NH2+]C2)C[NH2+]1 ZINC001246962405 807441357 /nfs/dbraw/zinc/44/13/57/807441357.db2.gz UGDGZIFGKZQLMD-UPJWGTAASA-N 2 2 290.367 0.153 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N2CC[N@H+](C(C)C)[C@@H](C)C2)C[NH2+]1 ZINC001246976753 807445204 /nfs/dbraw/zinc/44/52/04/807445204.db2.gz AWVVZBNBOPAPBW-AVGNSLFASA-N 2 2 269.389 0.304 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N2CC[N@@H+](C(C)C)[C@@H](C)C2)C[NH2+]1 ZINC001246976753 807445205 /nfs/dbraw/zinc/44/52/05/807445205.db2.gz AWVVZBNBOPAPBW-AVGNSLFASA-N 2 2 269.389 0.304 20 0 CCADLP O[C@@H]1C[NH2+]C[C@H]1c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001247711260 807480888 /nfs/dbraw/zinc/48/08/88/807480888.db2.gz OKRNFDSJUUWDSN-DGCLKSJQSA-N 2 2 297.318 0.970 20 0 CCADLP CC[NH+]1C[C@H]2C[NH+](Cc3cccc(=O)n3C)C[C@@H]2C1 ZINC001248810062 807528413 /nfs/dbraw/zinc/52/84/13/807528413.db2.gz WMJBPZKKWXBKRY-STQMWFEESA-N 2 2 261.369 0.769 20 0 CCADLP [NH3+]C[C@H]([NH3+])Cc1nc(-c2ccc3c(c2)OCCC3=O)no1 ZINC001249128482 807544313 /nfs/dbraw/zinc/54/43/13/807544313.db2.gz DEJOAPOOEMLSCD-SECBINFHSA-N 2 2 288.307 0.530 20 0 CCADLP Cc1c2cccc(-c3noc(C[C@@H]([NH3+])C[NH3+])n3)c2nn1C ZINC001249129629 807545086 /nfs/dbraw/zinc/54/50/86/807545086.db2.gz PKEQISSMTJMMRL-SECBINFHSA-N 2 2 286.339 0.760 20 0 CCADLP C[NH+]1CCN(c2ncc(CC[NH+]3CCOCC3)cn2)CC1 ZINC001250275323 807587829 /nfs/dbraw/zinc/58/78/29/807587829.db2.gz GKRVDKTXGSNLPG-UHFFFAOYSA-N 2 2 291.399 0.103 20 0 CCADLP COc1cccc([C@H](O)CNC(=[NH2+])N2CC[NH+](C)CC2)c1 ZINC001250730732 807609960 /nfs/dbraw/zinc/60/99/60/807609960.db2.gz NVIRGHYOLPNUBO-CQSZACIVSA-N 2 2 292.383 0.500 20 0 CCADLP CC[NH+]1C[C@@H]2C[NH+](C[C@@H](O)C(F)(F)F)C[C@H]2C1 ZINC001250976272 807628421 /nfs/dbraw/zinc/62/84/21/807628421.db2.gz AUAJSBKXAUEIQG-OPRDCNLKSA-N 2 2 252.280 0.793 20 0 CCADLP Cc1ccc(O)c(NC[C@@H](O)C[NH+]2CCOCC2)[nH+]1 ZINC001251007865 807638983 /nfs/dbraw/zinc/63/89/83/807638983.db2.gz VSBSFWDTXPJMCR-LLVKDONJSA-N 2 2 267.329 0.201 20 0 CCADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](CC(C)(C)O)C[C@H]3C2)cn1 ZINC001252353356 807813379 /nfs/dbraw/zinc/81/33/79/807813379.db2.gz YYKSOVQUPXDINH-HUUCEWRRSA-N 2 2 292.427 0.945 20 0 CCADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](CC(C)(C)O)C[C@H]3C2)cn1 ZINC001252353356 807813385 /nfs/dbraw/zinc/81/33/85/807813385.db2.gz YYKSOVQUPXDINH-HUUCEWRRSA-N 2 2 292.427 0.945 20 0 CCADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](CC(C)(C)O)C[C@H]3C2)cn1 ZINC001252353356 807813392 /nfs/dbraw/zinc/81/33/92/807813392.db2.gz YYKSOVQUPXDINH-HUUCEWRRSA-N 2 2 292.427 0.945 20 0 CCADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](CC(C)(C)O)C[C@H]3C2)cn1 ZINC001252353356 807813400 /nfs/dbraw/zinc/81/34/00/807813400.db2.gz YYKSOVQUPXDINH-HUUCEWRRSA-N 2 2 292.427 0.945 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH+]1CC2(C1)CCOCC2 ZINC001253187105 808023364 /nfs/dbraw/zinc/02/33/64/808023364.db2.gz UTNAGGOGOKAVLG-CYBMUJFWSA-N 2 2 256.390 0.802 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH+]1CC2(C1)CCOCC2 ZINC001253187106 808023379 /nfs/dbraw/zinc/02/33/79/808023379.db2.gz UTNAGGOGOKAVLG-ZDUSSCGKSA-N 2 2 256.390 0.802 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H](CO)[C@@H](O)c1ccccc1 ZINC001253208872 808031487 /nfs/dbraw/zinc/03/14/87/808031487.db2.gz UFMFWBUCMKFKBQ-PMPSAXMXSA-N 2 2 296.411 0.373 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH+]1CCC2(CCOC2=O)CC1 ZINC001253395659 808055273 /nfs/dbraw/zinc/05/52/73/808055273.db2.gz KBWZROMWAZJSGG-GFCCVEGCSA-N 2 2 284.400 0.765 20 0 CCADLP C[N@@H+]1CCC[C@@H]([NH2+][C@@H](CC(=O)OC(C)(C)C)C(N)=O)CC1 ZINC001254511727 808252222 /nfs/dbraw/zinc/25/22/22/808252222.db2.gz DMSAYAOGPWVSGV-NEPJUHHUSA-N 2 2 299.415 0.646 20 0 CCADLP C[N@H+]1CCC[C@@H]([NH2+][C@@H](CC(=O)OC(C)(C)C)C(N)=O)CC1 ZINC001254511727 808252228 /nfs/dbraw/zinc/25/22/28/808252228.db2.gz DMSAYAOGPWVSGV-NEPJUHHUSA-N 2 2 299.415 0.646 20 0 CCADLP CCOC(=O)C1=C(O)CC[N@@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254519932 808253794 /nfs/dbraw/zinc/25/37/94/808253794.db2.gz LIHXHIXMYDYUMG-QWHCGFSZSA-N 2 2 282.384 0.925 20 0 CCADLP CCOC(=O)C1=C(O)CC[N@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254519932 808253802 /nfs/dbraw/zinc/25/38/02/808253802.db2.gz LIHXHIXMYDYUMG-QWHCGFSZSA-N 2 2 282.384 0.925 20 0 CCADLP CCOC(=O)C1=C(O)CC[NH+]([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254519932 808253806 /nfs/dbraw/zinc/25/38/06/808253806.db2.gz LIHXHIXMYDYUMG-QWHCGFSZSA-N 2 2 282.384 0.925 20 0 CCADLP CCOC(=O)C1=C(O)CC[NH+]([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254519932 808253811 /nfs/dbraw/zinc/25/38/11/808253811.db2.gz LIHXHIXMYDYUMG-QWHCGFSZSA-N 2 2 282.384 0.925 20 0 CCADLP C[N@@H+]1CCCN(CC[NH2+][C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254841660 808285134 /nfs/dbraw/zinc/28/51/34/808285134.db2.gz ZCYHNKGKNGGFSF-MRXNPFEDSA-N 3 2 280.460 0.698 20 0 CCADLP C[N@H+]1CCCN(CC[NH2+][C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254841660 808285138 /nfs/dbraw/zinc/28/51/38/808285138.db2.gz ZCYHNKGKNGGFSF-MRXNPFEDSA-N 3 2 280.460 0.698 20 0 CCADLP COCC(=O)N1CCC([NH2+][C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254845667 808286687 /nfs/dbraw/zinc/28/66/87/808286687.db2.gz QSPXJNZZYLZHRJ-OAHLLOKOSA-N 2 2 295.427 0.698 20 0 CCADLP CC[N@H+](C)C[C@@H](O)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001278860517 808349572 /nfs/dbraw/zinc/34/95/72/808349572.db2.gz YIYLRNSOSQXENW-GFCCVEGCSA-N 2 2 268.361 0.113 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001278860517 808349580 /nfs/dbraw/zinc/34/95/80/808349580.db2.gz YIYLRNSOSQXENW-GFCCVEGCSA-N 2 2 268.361 0.113 20 0 CCADLP CC[N@H+](C)C[C@@H](O)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001278860517 808349589 /nfs/dbraw/zinc/34/95/89/808349589.db2.gz YIYLRNSOSQXENW-GFCCVEGCSA-N 2 2 268.361 0.113 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001278860517 808349598 /nfs/dbraw/zinc/34/95/98/808349598.db2.gz YIYLRNSOSQXENW-GFCCVEGCSA-N 2 2 268.361 0.113 20 0 CCADLP CCOC(=O)N1CC[C@H](N2CC[NH+](CCC[NH3+])CC2)C1 ZINC001256019494 808451295 /nfs/dbraw/zinc/45/12/95/808451295.db2.gz ZPHTUDFLUCYARB-ZDUSSCGKSA-N 2 2 284.404 0.184 20 0 CCADLP C[NH+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]C2CC[NH+](C)CC2)CC1 ZINC001256199718 808478195 /nfs/dbraw/zinc/47/81/95/808478195.db2.gz VWQWXMITIVOTBM-HDJSIYSDSA-N 3 2 296.459 0.659 20 0 CCADLP C[NH+]1CCC([NH+]2CCC3(CC2)CC(=O)NC(=O)C3)CC1 ZINC001256209573 808481680 /nfs/dbraw/zinc/48/16/80/808481680.db2.gz YMORZJCVOUGWSM-UHFFFAOYSA-N 2 2 279.384 0.599 20 0 CCADLP CC(=O)[C@@H]1C[N@H+](C2CCC([NH+]3CCOCC3)CC2)CCO1 ZINC001256700436 808552503 /nfs/dbraw/zinc/55/25/03/808552503.db2.gz XCXKOZCTOKWITQ-GPANFISMSA-N 2 2 296.411 0.920 20 0 CCADLP CC(C)[NH+]1CCC(n2c[nH+]cc2C[C@@H]([NH3+])CO)CC1 ZINC001257207817 808597322 /nfs/dbraw/zinc/59/73/22/808597322.db2.gz LXYHSWMEYQPNQU-GFCCVEGCSA-N 3 2 266.389 0.791 20 0 CCADLP COC(=O)CC[C@@H](C)[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001258378984 808679967 /nfs/dbraw/zinc/67/99/67/808679967.db2.gz GJKDIZVUHLXWON-GFCCVEGCSA-N 2 2 269.389 0.260 20 0 CCADLP CCOC(=O)CC[C@H](C)[NH2+][C@@H](CCC[NH3+])C(=O)OCC ZINC001258477118 808686481 /nfs/dbraw/zinc/68/64/81/808686481.db2.gz BEMWSIRMAWBOFP-RYUDHWBXSA-N 2 2 288.388 0.978 20 0 CCADLP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@@H](C)Cc1cccnc1 ZINC001258611682 808696016 /nfs/dbraw/zinc/69/60/16/808696016.db2.gz MTPZYWGLGYNQNC-WCQYABFASA-N 2 2 265.357 0.883 20 0 CCADLP CC(C)C[NH2+]CC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC001261501878 809001239 /nfs/dbraw/zinc/00/12/39/809001239.db2.gz QVIHJDFEYLGIIE-LBPRGKRZSA-N 2 2 252.362 0.881 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001262553893 809339180 /nfs/dbraw/zinc/33/91/80/809339180.db2.gz NHZPOKZCIGTKRX-QWRGUYRKSA-N 2 2 250.346 0.417 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)NCCn1cc[nH+]c1 ZINC001262560695 809342843 /nfs/dbraw/zinc/34/28/43/809342843.db2.gz YMPZXRHYRLCDGE-VXGBXAGGSA-N 2 2 265.361 0.428 20 0 CCADLP CC(C)[N@H+](C)CCC[NH2+]C[C@H](C)S(C)(=O)=O ZINC001262561633 809343018 /nfs/dbraw/zinc/34/30/18/809343018.db2.gz CDJAFZQHAATFFC-NSHDSACASA-N 2 2 250.408 0.739 20 0 CCADLP CC(C)[N@@H+](C)CCC[NH2+]C[C@H](C)S(C)(=O)=O ZINC001262561633 809343024 /nfs/dbraw/zinc/34/30/24/809343024.db2.gz CDJAFZQHAATFFC-NSHDSACASA-N 2 2 250.408 0.739 20 0 CCADLP [NH3+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001263133313 809456277 /nfs/dbraw/zinc/45/62/77/809456277.db2.gz QSZGUWXCEQIKCJ-CYZMBNFOSA-N 2 2 262.357 0.832 20 0 CCADLP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001263995623 809619308 /nfs/dbraw/zinc/61/93/08/809619308.db2.gz HWCQRZKQKWPWIK-TUAOUCFPSA-N 2 2 262.357 0.799 20 0 CCADLP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001263995623 809619312 /nfs/dbraw/zinc/61/93/12/809619312.db2.gz HWCQRZKQKWPWIK-TUAOUCFPSA-N 2 2 262.357 0.799 20 0 CCADLP CC[N@H+](C)CCOCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001264110183 809631317 /nfs/dbraw/zinc/63/13/17/809631317.db2.gz OYPJOZCPKKJOIE-UHFFFAOYSA-N 2 2 268.361 0.379 20 0 CCADLP CC[N@@H+](C)CCOCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001264110183 809631319 /nfs/dbraw/zinc/63/13/19/809631319.db2.gz OYPJOZCPKKJOIE-UHFFFAOYSA-N 2 2 268.361 0.379 20 0 CCADLP COCC[NH2+][C@@H]1CCCCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001264682492 809672078 /nfs/dbraw/zinc/67/20/78/809672078.db2.gz YCSQLPBURCUWIX-CYBMUJFWSA-N 2 2 294.399 0.959 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC001076633595 815323664 /nfs/dbraw/zinc/32/36/64/815323664.db2.gz WCKHCZPILBHTPH-NWDGAFQWSA-N 2 2 266.320 0.385 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001076633595 815323673 /nfs/dbraw/zinc/32/36/73/815323673.db2.gz WCKHCZPILBHTPH-NWDGAFQWSA-N 2 2 266.320 0.385 20 0 CCADLP Cc1nnc(C[N@H+](C)CCCNC(=O)[C@@H]2CCC[NH+]2C)o1 ZINC001265815163 809861350 /nfs/dbraw/zinc/86/13/50/809861350.db2.gz QJUKNXDOTUBIQD-LBPRGKRZSA-N 2 2 295.387 0.410 20 0 CCADLP Cc1nnc(C[N@@H+](C)CCCNC(=O)[C@@H]2CCC[NH+]2C)o1 ZINC001265815163 809861356 /nfs/dbraw/zinc/86/13/56/809861356.db2.gz QJUKNXDOTUBIQD-LBPRGKRZSA-N 2 2 295.387 0.410 20 0 CCADLP Cc1nnc(C[NH+](C)CCCNC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001265815163 809861365 /nfs/dbraw/zinc/86/13/65/809861365.db2.gz QJUKNXDOTUBIQD-LBPRGKRZSA-N 2 2 295.387 0.410 20 0 CCADLP Cc1nnc(C[NH+](C)CCCNC(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001265815163 809861369 /nfs/dbraw/zinc/86/13/69/809861369.db2.gz QJUKNXDOTUBIQD-LBPRGKRZSA-N 2 2 295.387 0.410 20 0 CCADLP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ncccn1 ZINC001265815170 809862155 /nfs/dbraw/zinc/86/21/55/809862155.db2.gz QTOXQCFBDKGFIO-ZDUSSCGKSA-N 2 2 291.399 0.509 20 0 CCADLP C[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ncccn1 ZINC001265815170 809862158 /nfs/dbraw/zinc/86/21/58/809862158.db2.gz QTOXQCFBDKGFIO-ZDUSSCGKSA-N 2 2 291.399 0.509 20 0 CCADLP C[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1ncccn1 ZINC001265815170 809862164 /nfs/dbraw/zinc/86/21/64/809862164.db2.gz QTOXQCFBDKGFIO-ZDUSSCGKSA-N 2 2 291.399 0.509 20 0 CCADLP C[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C)Cc1ncccn1 ZINC001265815170 809862173 /nfs/dbraw/zinc/86/21/73/809862173.db2.gz QTOXQCFBDKGFIO-ZDUSSCGKSA-N 2 2 291.399 0.509 20 0 CCADLP C[NH+](C)CC1(C(=O)NCCC[N@H+](C)Cc2ccon2)CC1 ZINC001265912366 809892082 /nfs/dbraw/zinc/89/20/82/809892082.db2.gz WUSMCTPKVGVPBB-UHFFFAOYSA-N 2 2 294.399 0.955 20 0 CCADLP C[NH+](C)CC1(C(=O)NCCC[N@@H+](C)Cc2ccon2)CC1 ZINC001265912366 809892084 /nfs/dbraw/zinc/89/20/84/809892084.db2.gz WUSMCTPKVGVPBB-UHFFFAOYSA-N 2 2 294.399 0.955 20 0 CCADLP CCOCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001265949377 809902686 /nfs/dbraw/zinc/90/26/86/809902686.db2.gz KTLQOXIRASGLSQ-LBPRGKRZSA-N 2 2 266.345 0.110 20 0 CCADLP CCOCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001279204779 809972323 /nfs/dbraw/zinc/97/23/23/809972323.db2.gz OTYTYCYTSLKYNM-KBPBESRZSA-N 2 2 294.399 0.604 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C[C@@H]([NH3+])C(F)F ZINC000724737327 809988850 /nfs/dbraw/zinc/98/88/50/809988850.db2.gz AOTBAQYLCZXJFL-OPRDCNLKSA-N 2 2 261.316 0.664 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C[C@@H]([NH3+])C(F)F ZINC000724737327 809988854 /nfs/dbraw/zinc/98/88/54/809988854.db2.gz AOTBAQYLCZXJFL-OPRDCNLKSA-N 2 2 261.316 0.664 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1([NH2+]CCF)CCC1 ZINC001280549174 810031069 /nfs/dbraw/zinc/03/10/69/810031069.db2.gz RZWZSZPAVZYXQC-UHFFFAOYSA-N 2 2 254.309 0.481 20 0 CCADLP [NH3+][C@H](CC(=O)N1CC[C@@H]([NH+]2CCCC2)C1)C(F)F ZINC000724753437 811091783 /nfs/dbraw/zinc/09/17/83/811091783.db2.gz VROUNJMKBWDPIX-NXEZZACHSA-N 2 2 261.316 0.666 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[NH2+]CCCO ZINC001267439900 811307824 /nfs/dbraw/zinc/30/78/24/811307824.db2.gz YWYOZNVWSITSFU-LLVKDONJSA-N 2 2 268.361 0.019 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[NH2+]CCCO ZINC001267439900 811307835 /nfs/dbraw/zinc/30/78/35/811307835.db2.gz YWYOZNVWSITSFU-LLVKDONJSA-N 2 2 268.361 0.019 20 0 CCADLP FC1(F)C[NH2+]C[C@@H]1Oc1ccc2c(n1)CC[NH2+]CC2 ZINC001218230629 811471371 /nfs/dbraw/zinc/47/13/71/811471371.db2.gz BVXPBRZVMWICNX-NSHDSACASA-N 2 2 269.295 0.756 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cncc(OC(F)(F)F)c1 ZINC001218794815 811614110 /nfs/dbraw/zinc/61/41/10/811614110.db2.gz UYEAFCRXVAZQTC-IUCAKERBSA-N 2 2 290.245 0.465 20 0 CCADLP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001077251839 815468804 /nfs/dbraw/zinc/46/88/04/815468804.db2.gz RNGMDWTYOICMTB-IACUBPJLSA-N 2 2 292.383 0.015 20 0 CCADLP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001077251839 815468807 /nfs/dbraw/zinc/46/88/07/815468807.db2.gz RNGMDWTYOICMTB-IACUBPJLSA-N 2 2 292.383 0.015 20 0 CCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1CC[NH2+]CCF ZINC001105101764 811841894 /nfs/dbraw/zinc/84/18/94/811841894.db2.gz BBPQCTCLXBCFBC-CHWSQXEVSA-N 2 2 282.363 0.927 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O ZINC001077392969 815492355 /nfs/dbraw/zinc/49/23/55/815492355.db2.gz ZNLJINNDBAYRJN-JGLYPNHGSA-N 2 2 298.774 0.105 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O ZINC001077392969 815492360 /nfs/dbraw/zinc/49/23/60/815492360.db2.gz ZNLJINNDBAYRJN-JGLYPNHGSA-N 2 2 298.774 0.105 20 0 CCADLP CCN1CCC[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)C1=O ZINC000722348261 812133739 /nfs/dbraw/zinc/13/37/39/812133739.db2.gz RXJNMUSOTAIVDZ-XNBXPENISA-N 2 2 263.385 0.583 20 0 CCADLP CN1CCOc2c1cn[nH+]c2NCC[NH+]1CCSCC1 ZINC001167835356 812247126 /nfs/dbraw/zinc/24/71/26/812247126.db2.gz TXYBHOLYVDSDKG-UHFFFAOYSA-N 2 2 295.412 0.766 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925829661 812348461 /nfs/dbraw/zinc/34/84/61/812348461.db2.gz FRPYCWOCPGDIOK-RMEBNNNOSA-N 2 2 266.385 0.934 20 0 CCADLP CCN(CC[NH2+]CCF)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001268459977 812602452 /nfs/dbraw/zinc/60/24/52/812602452.db2.gz MHZINOPFSUYBBN-LBPRGKRZSA-N 2 2 282.363 0.853 20 0 CCADLP Cc1cc(NC(=O)CC[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)no1 ZINC000300092910 812711215 /nfs/dbraw/zinc/71/12/15/812711215.db2.gz VTKDCSAHIKKBIW-PSASIEDQSA-N 2 2 252.318 0.591 20 0 CCADLP Cc1cc(NC(=O)CC[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)no1 ZINC000300092910 812711221 /nfs/dbraw/zinc/71/12/21/812711221.db2.gz VTKDCSAHIKKBIW-PSASIEDQSA-N 2 2 252.318 0.591 20 0 CCADLP O=C(NC[C@H]1CC[N@@H+](CCF)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001028641365 813100562 /nfs/dbraw/zinc/10/05/62/813100562.db2.gz FJGIKLPBTWSVDE-CHWSQXEVSA-N 2 2 294.374 0.853 20 0 CCADLP O=C(NC[C@H]1CC[N@H+](CCF)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001028641365 813100566 /nfs/dbraw/zinc/10/05/66/813100566.db2.gz FJGIKLPBTWSVDE-CHWSQXEVSA-N 2 2 294.374 0.853 20 0 CCADLP CN(CCC[NH2+]C[C@@H]1CCCCO1)C(=O)Cc1[nH]cc[nH+]1 ZINC001268894366 813136637 /nfs/dbraw/zinc/13/66/37/813136637.db2.gz XAPFMHYKUMDGDQ-ZDUSSCGKSA-N 2 2 294.399 0.959 20 0 CCADLP CC[NH2+]C[C@H](NC(=O)CCc1c[nH+]cn1C)C1CC1 ZINC001269140511 813235417 /nfs/dbraw/zinc/23/54/17/813235417.db2.gz LGIBNNRIGURCNR-ZDUSSCGKSA-N 2 2 264.373 0.857 20 0 CCADLP COCCCC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001269303052 813317149 /nfs/dbraw/zinc/31/71/49/813317149.db2.gz YIMFFGOKFWNUBI-CQSZACIVSA-N 2 2 294.399 0.842 20 0 CCADLP COCCCC[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001269303052 813317156 /nfs/dbraw/zinc/31/71/56/813317156.db2.gz YIMFFGOKFWNUBI-CQSZACIVSA-N 2 2 294.399 0.842 20 0 CCADLP C[NH+]1CC2(C1)CCCN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001270456177 813770107 /nfs/dbraw/zinc/77/01/07/813770107.db2.gz LJJSLGJGQRAYJY-UHFFFAOYSA-N 2 2 262.357 0.897 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+]C[C@H]1CCOC1 ZINC001167977758 813882068 /nfs/dbraw/zinc/88/20/68/813882068.db2.gz IZTRLVMOODRNME-CHWSQXEVSA-N 2 2 294.399 0.721 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+]C[C@H]1CCOC1 ZINC001167977758 813882076 /nfs/dbraw/zinc/88/20/76/813882076.db2.gz IZTRLVMOODRNME-CHWSQXEVSA-N 2 2 294.399 0.721 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[N@@H+]1C[C@H](C)O ZINC001087811006 814219075 /nfs/dbraw/zinc/21/90/75/814219075.db2.gz XAIUWHDDMMUDTH-VHRBIJSZSA-N 2 2 294.399 0.611 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[N@H+]1C[C@H](C)O ZINC001087811006 814219082 /nfs/dbraw/zinc/21/90/82/814219082.db2.gz XAIUWHDDMMUDTH-VHRBIJSZSA-N 2 2 294.399 0.611 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1C[C@@H](C)O ZINC001087847579 814235618 /nfs/dbraw/zinc/23/56/18/814235618.db2.gz GYCUGUJJNYREQM-FRRDWIJNSA-N 2 2 280.372 0.233 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1C[C@@H](C)O ZINC001087847579 814235625 /nfs/dbraw/zinc/23/56/25/814235625.db2.gz GYCUGUJJNYREQM-FRRDWIJNSA-N 2 2 280.372 0.233 20 0 CCADLP COCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001088219404 814448100 /nfs/dbraw/zinc/44/81/00/814448100.db2.gz ATGOITGABPXVKF-KGLIPLIRSA-N 2 2 292.383 0.310 20 0 CCADLP COCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001088219404 814448102 /nfs/dbraw/zinc/44/81/02/814448102.db2.gz ATGOITGABPXVKF-KGLIPLIRSA-N 2 2 292.383 0.310 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001029607310 814479514 /nfs/dbraw/zinc/47/95/14/814479514.db2.gz GXBRMPHABKXGAF-OKILXGFUSA-N 2 2 274.368 0.968 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001029607310 814479518 /nfs/dbraw/zinc/47/95/18/814479518.db2.gz GXBRMPHABKXGAF-OKILXGFUSA-N 2 2 274.368 0.968 20 0 CCADLP C[C@@]1(NC(=O)/C=C/C[NH+]2CCOCC2)C[NH+]2CCC1CC2 ZINC000912373386 815615991 /nfs/dbraw/zinc/61/59/91/815615991.db2.gz CDLXGXNCDJKMAZ-WOMSROEHSA-N 2 2 293.411 0.475 20 0 CCADLP C[C@]1(NC(=O)/C=C/C[NH+]2CCOCC2)C[NH+]2CCC1CC2 ZINC000912373384 815616168 /nfs/dbraw/zinc/61/61/68/815616168.db2.gz CDLXGXNCDJKMAZ-KZSQQDEKSA-N 2 2 293.411 0.475 20 0 CCADLP CC(C)[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]C[C@H](C)O ZINC001271902109 814625812 /nfs/dbraw/zinc/62/58/12/814625812.db2.gz PSIBLDNPMGOOGZ-JQWIXIFHSA-N 2 2 268.361 0.063 20 0 CCADLP C[N@@H+]1CCO[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001271931009 814634594 /nfs/dbraw/zinc/63/45/94/814634594.db2.gz DREMYXSEASQNNU-GJZGRUSLSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@H+]1CCO[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001271931009 814634596 /nfs/dbraw/zinc/63/45/96/814634596.db2.gz DREMYXSEASQNNU-GJZGRUSLSA-N 2 2 295.427 0.794 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001088390202 814667825 /nfs/dbraw/zinc/66/78/25/814667825.db2.gz IDZMDDPWQZCKHC-STQMWFEESA-N 2 2 294.399 0.694 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CCF)CCN1C(=O)CCc1[nH+]ccn1C ZINC000986603272 814761025 /nfs/dbraw/zinc/76/10/25/814761025.db2.gz SBLVYGLJSSXLKC-RYUDHWBXSA-N 2 2 282.363 0.901 20 0 CCADLP C[C@H]1NC(=O)N(C2CC[NH+](C3CC[NH+](C)CC3)CC2)C1=O ZINC000348877112 815631469 /nfs/dbraw/zinc/63/14/69/815631469.db2.gz HASZEDDUVAOALR-LLVKDONJSA-N 2 2 294.399 0.485 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](C[C@H]2CCCCO2)C1 ZINC001030160102 815849485 /nfs/dbraw/zinc/84/94/85/815849485.db2.gz ASFNJZJIVOQEQB-KGLIPLIRSA-N 2 2 281.400 0.450 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](C[C@H]2CCCCO2)C1 ZINC001030160102 815849492 /nfs/dbraw/zinc/84/94/92/815849492.db2.gz ASFNJZJIVOQEQB-KGLIPLIRSA-N 2 2 281.400 0.450 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001030162813 815856350 /nfs/dbraw/zinc/85/63/50/815856350.db2.gz ZOTJHKIKMLJIEH-KBPBESRZSA-N 2 2 295.427 0.696 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001030162813 815856357 /nfs/dbraw/zinc/85/63/57/815856357.db2.gz ZOTJHKIKMLJIEH-KBPBESRZSA-N 2 2 295.427 0.696 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001030181846 815874925 /nfs/dbraw/zinc/87/49/25/815874925.db2.gz HMWVUHALUGVGBO-CQSZACIVSA-N 2 2 295.427 0.554 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)NC2C[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001030181846 815874928 /nfs/dbraw/zinc/87/49/28/815874928.db2.gz HMWVUHALUGVGBO-CQSZACIVSA-N 2 2 295.427 0.554 20 0 CCADLP O=C(NC1C[NH+](CCO)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001030315145 815973242 /nfs/dbraw/zinc/97/32/42/815973242.db2.gz ORGDTOMHQRXVFU-CYBMUJFWSA-N 2 2 295.427 0.434 20 0 CCADLP O=C(NC1C[NH+](CCO)C1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001030315145 815973248 /nfs/dbraw/zinc/97/32/48/815973248.db2.gz ORGDTOMHQRXVFU-CYBMUJFWSA-N 2 2 295.427 0.434 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001030321750 815976169 /nfs/dbraw/zinc/97/61/69/815976169.db2.gz NEJNWVUCPJFACL-FZMZJTMJSA-N 2 2 281.400 0.164 20 0 CCADLP CC[N@H+](C)CCC(=O)NC[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001105944113 816019804 /nfs/dbraw/zinc/01/98/04/816019804.db2.gz JTKPLXRMTPSSII-GFCCVEGCSA-N 2 2 295.387 0.016 20 0 CCADLP CC[N@@H+](C)CCC(=O)NC[C@H](O)CNc1cc[nH+]c(C)n1 ZINC001105944113 816019811 /nfs/dbraw/zinc/01/98/11/816019811.db2.gz JTKPLXRMTPSSII-GFCCVEGCSA-N 2 2 295.387 0.016 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](C[C@H]2CCCOC2)C1 ZINC001030535127 816092071 /nfs/dbraw/zinc/09/20/71/816092071.db2.gz KXALPBMLLFBFHT-HIFRSBDPSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](C[C@H]2CCCOC2)C1 ZINC001030535127 816092075 /nfs/dbraw/zinc/09/20/75/816092075.db2.gz KXALPBMLLFBFHT-HIFRSBDPSA-N 2 2 295.427 0.698 20 0 CCADLP Cc1nc(NC[C@H](O)CNC(=O)CCC[NH+](C)C)cc[nH+]1 ZINC001106075973 816176283 /nfs/dbraw/zinc/17/62/83/816176283.db2.gz MTEOIANFHWYOKU-LBPRGKRZSA-N 2 2 295.387 0.016 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC1C[NH+](CC[C@@H](C)F)C1 ZINC001030684161 816215954 /nfs/dbraw/zinc/21/59/54/816215954.db2.gz OAZXWFJWJHRGPD-SNVBAGLBSA-N 2 2 268.336 0.740 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001030683487 816217238 /nfs/dbraw/zinc/21/72/38/816217238.db2.gz LYZLSYKBVAKSSY-NSHDSACASA-N 2 2 266.345 0.027 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1Cc1ccon1 ZINC001089037949 816220283 /nfs/dbraw/zinc/22/02/83/816220283.db2.gz XLXIGAQEVBQUAZ-BZPMIXESSA-N 2 2 292.383 0.705 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1Cc1ccon1 ZINC001089037949 816220288 /nfs/dbraw/zinc/22/02/88/816220288.db2.gz XLXIGAQEVBQUAZ-BZPMIXESSA-N 2 2 292.383 0.705 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1Cc1ccon1 ZINC001089037949 816220295 /nfs/dbraw/zinc/22/02/95/816220295.db2.gz XLXIGAQEVBQUAZ-BZPMIXESSA-N 2 2 292.383 0.705 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1Cc1ccon1 ZINC001089037949 816220296 /nfs/dbraw/zinc/22/02/96/816220296.db2.gz XLXIGAQEVBQUAZ-BZPMIXESSA-N 2 2 292.383 0.705 20 0 CCADLP O=S(=O)(C[C@@]12CC[N@@H+](C1)CCC2)NCC[NH+]1CCC1 ZINC000914281770 816599629 /nfs/dbraw/zinc/59/96/29/816599629.db2.gz ZMGZVIROXHVKOO-ZDUSSCGKSA-N 2 2 287.429 0.097 20 0 CCADLP CC[NH+]1CC(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001031083953 816633661 /nfs/dbraw/zinc/63/36/61/816633661.db2.gz PPMFNIWTWCZZKG-OLZOCXBDSA-N 2 2 251.374 0.824 20 0 CCADLP CC[NH+]1CC(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001031083953 816633664 /nfs/dbraw/zinc/63/36/64/816633664.db2.gz PPMFNIWTWCZZKG-OLZOCXBDSA-N 2 2 251.374 0.824 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001106498637 816793254 /nfs/dbraw/zinc/79/32/54/816793254.db2.gz IBGUFFJQHISLIN-HZSPNIEDSA-N 2 2 294.399 0.338 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC1C[NH+](CC2CCCC2)C1 ZINC001031258623 816907853 /nfs/dbraw/zinc/90/78/53/816907853.db2.gz OJMLJFGOMGKNTB-UHFFFAOYSA-N 2 2 276.384 0.953 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC1C[NH+](CC[C@H](C)F)C1 ZINC001031391967 817027837 /nfs/dbraw/zinc/02/78/37/817027837.db2.gz PTHCSAHLJDUILR-JTQLQIEISA-N 2 2 268.336 0.740 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+]([C@@H](C)COC)C1 ZINC001031439886 817056575 /nfs/dbraw/zinc/05/65/75/817056575.db2.gz KTWZZYFWPNNTRD-GXTWGEPZSA-N 2 2 283.416 0.696 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+]([C@@H](C)COC)C1 ZINC001031439886 817056584 /nfs/dbraw/zinc/05/65/84/817056584.db2.gz KTWZZYFWPNNTRD-GXTWGEPZSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@H](CCC(=O)OC)C[N@@H+]1C[C@H]([NH3+])[C@@H](C(=O)OC)C1 ZINC001236344641 817271137 /nfs/dbraw/zinc/27/11/37/817271137.db2.gz RNTXXJJRPVVUDY-WOPDTQHZSA-N 2 2 286.372 0.398 20 0 CCADLP CC[C@H](CCC(=O)OC)C[N@H+]1C[C@H]([NH3+])[C@@H](C(=O)OC)C1 ZINC001236344641 817271139 /nfs/dbraw/zinc/27/11/39/817271139.db2.gz RNTXXJJRPVVUDY-WOPDTQHZSA-N 2 2 286.372 0.398 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000353456623 817362961 /nfs/dbraw/zinc/36/29/61/817362961.db2.gz DJBBWAMLBNGDKC-AWEZNQCLSA-N 2 2 293.367 0.431 20 0 CCADLP N[C@H](C[NH+]1CCC([NH3+])CC1)c1nc(-c2ccncc2)no1 ZINC001212315119 817364186 /nfs/dbraw/zinc/36/41/86/817364186.db2.gz RTLQAJSNPOXCNT-GFCCVEGCSA-N 2 2 288.355 0.555 20 0 CCADLP CCC[NH+]1CC(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001031783096 817365843 /nfs/dbraw/zinc/36/58/43/817365843.db2.gz AMISEJNCFDBGCG-CYBMUJFWSA-N 2 2 276.384 0.904 20 0 CCADLP C[NH+]1CCC(C(=O)NCC2C[NH+](CCF)C2)CC1 ZINC001031948393 817484258 /nfs/dbraw/zinc/48/42/58/817484258.db2.gz YBGQBHVPAISPTJ-UHFFFAOYSA-N 2 2 257.353 0.346 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]C/C(Cl)=C/Cl)C1 ZINC001125221266 817731876 /nfs/dbraw/zinc/73/18/76/817731876.db2.gz PCTONHDSBQLDJI-MBACFSSFSA-N 2 2 296.198 0.342 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)NCC[NH2+]C/C(Cl)=C/Cl)C1 ZINC001125221266 817731880 /nfs/dbraw/zinc/73/18/80/817731880.db2.gz PCTONHDSBQLDJI-MBACFSSFSA-N 2 2 296.198 0.342 20 0 CCADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCC[NH2+]CCCF)[nH]n1 ZINC001127773744 817853391 /nfs/dbraw/zinc/85/33/91/817853391.db2.gz UPNJXOOXINXGHX-CYBMUJFWSA-N 2 2 297.378 0.855 20 0 CCADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCC[NH2+]CCCF)[nH]n1 ZINC001127773744 817853402 /nfs/dbraw/zinc/85/34/02/817853402.db2.gz UPNJXOOXINXGHX-CYBMUJFWSA-N 2 2 297.378 0.855 20 0 CCADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCC[NH2+]CCF)[nH]n1 ZINC001127774343 817855053 /nfs/dbraw/zinc/85/50/53/817855053.db2.gz YIMUHFSPEWTHNU-GFCCVEGCSA-N 2 2 283.351 0.465 20 0 CCADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCC[NH2+]CCF)[nH]n1 ZINC001127774343 817855062 /nfs/dbraw/zinc/85/50/62/817855062.db2.gz YIMUHFSPEWTHNU-GFCCVEGCSA-N 2 2 283.351 0.465 20 0 CCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CC[N@H+](CCCO)C1 ZINC001033163549 818589513 /nfs/dbraw/zinc/58/95/13/818589513.db2.gz MZIZLMMEKUCBOW-YNEHKIRRSA-N 2 2 292.383 0.428 20 0 CCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033163549 818589516 /nfs/dbraw/zinc/58/95/16/818589516.db2.gz MZIZLMMEKUCBOW-YNEHKIRRSA-N 2 2 292.383 0.428 20 0 CCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H]1CC[N@H+](CCCO)C1 ZINC001033163549 818589521 /nfs/dbraw/zinc/58/95/21/818589521.db2.gz MZIZLMMEKUCBOW-YNEHKIRRSA-N 2 2 292.383 0.428 20 0 CCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033163549 818589528 /nfs/dbraw/zinc/58/95/28/818589528.db2.gz MZIZLMMEKUCBOW-YNEHKIRRSA-N 2 2 292.383 0.428 20 0 CCADLP C[C@@H](CC[NH2+]Cc1ccn(C)n1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001273091566 818593505 /nfs/dbraw/zinc/59/35/05/818593505.db2.gz VAAUBCSGDABAPE-NSHDSACASA-N 2 2 290.371 0.370 20 0 CCADLP CC(C)n1ncc(NC(=[NH2+])N2CC[NH+](C)CC2)cc1=O ZINC001168741300 818611084 /nfs/dbraw/zinc/61/10/84/818611084.db2.gz WKAXXZRSDGJBGD-UHFFFAOYSA-N 2 2 278.360 0.418 20 0 CCADLP CC[NH+](CC)C[C@H](F)C(=O)NCC[NH2+]Cc1ccon1 ZINC001128533104 818611271 /nfs/dbraw/zinc/61/12/71/818611271.db2.gz GWRUZKXOTCQYAO-LBPRGKRZSA-N 2 2 286.351 0.560 20 0 CCADLP CC(C)n1cc(NC(=[NH2+])N2CC[NH+](C)CC2)ncc1=O ZINC001168746579 818628372 /nfs/dbraw/zinc/62/83/72/818628372.db2.gz XNXWVRHRESVXQO-UHFFFAOYSA-N 2 2 278.360 0.418 20 0 CCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001033202839 818648089 /nfs/dbraw/zinc/64/80/89/818648089.db2.gz NZASXHJICDGIDX-JSGCOSHPSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001033202839 818648093 /nfs/dbraw/zinc/64/80/93/818648093.db2.gz NZASXHJICDGIDX-JSGCOSHPSA-N 2 2 276.384 0.998 20 0 CCADLP CO[C@H](C)C[NH2+]CC[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001273122936 818681574 /nfs/dbraw/zinc/68/15/74/818681574.db2.gz KBSGCYXUCTWIJD-VXGBXAGGSA-N 2 2 282.388 0.482 20 0 CCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001033453735 818784602 /nfs/dbraw/zinc/78/46/02/818784602.db2.gz ZEHPRWCJGTWKMS-ZDUSSCGKSA-N 2 2 262.357 0.895 20 0 CCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001033453735 818784607 /nfs/dbraw/zinc/78/46/07/818784607.db2.gz ZEHPRWCJGTWKMS-ZDUSSCGKSA-N 2 2 262.357 0.895 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034485627 819221455 /nfs/dbraw/zinc/22/14/55/819221455.db2.gz RYBHIPPOYPWJLF-OLZOCXBDSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@@H](O)C[N@H+]1CCCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034485627 819221464 /nfs/dbraw/zinc/22/14/64/819221464.db2.gz RYBHIPPOYPWJLF-OLZOCXBDSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@@H](F)CC[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128967120 819234049 /nfs/dbraw/zinc/23/40/49/819234049.db2.gz BWLYHSRXXYILNG-SNVBAGLBSA-N 2 2 256.325 0.796 20 0 CCADLP C[C@@H](F)CC[NH2+]CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001128967120 819234056 /nfs/dbraw/zinc/23/40/56/819234056.db2.gz BWLYHSRXXYILNG-SNVBAGLBSA-N 2 2 256.325 0.796 20 0 CCADLP C[C@@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703614456 819303787 /nfs/dbraw/zinc/30/37/87/819303787.db2.gz NPQCNKAHYXVFNH-VNHYZAJKSA-N 2 2 265.401 0.929 20 0 CCADLP C[C@@H]1CCCCN1C(=O)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703614456 819303790 /nfs/dbraw/zinc/30/37/90/819303790.db2.gz NPQCNKAHYXVFNH-VNHYZAJKSA-N 2 2 265.401 0.929 20 0 CCADLP CC(C)[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001034895517 819358927 /nfs/dbraw/zinc/35/89/27/819358927.db2.gz WKRGOAOLMGBAKD-CHWSQXEVSA-N 2 2 269.389 0.306 20 0 CCADLP CC(C)[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001034895517 819358935 /nfs/dbraw/zinc/35/89/35/819358935.db2.gz WKRGOAOLMGBAKD-CHWSQXEVSA-N 2 2 269.389 0.306 20 0 CCADLP CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001035393127 819505271 /nfs/dbraw/zinc/50/52/71/819505271.db2.gz VDRYKDIDXSYBPT-STQMWFEESA-N 2 2 292.383 0.597 20 0 CCADLP CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001035393127 819505277 /nfs/dbraw/zinc/50/52/77/819505277.db2.gz VDRYKDIDXSYBPT-STQMWFEESA-N 2 2 292.383 0.597 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001036204316 819704977 /nfs/dbraw/zinc/70/49/77/819704977.db2.gz JJRCCXWIZUCAPV-PWSUYJOCSA-N 2 2 250.346 0.799 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001036228449 819709913 /nfs/dbraw/zinc/70/99/13/819709913.db2.gz CDRZYJNROAFVRP-QWRGUYRKSA-N 2 2 250.346 0.799 20 0 CCADLP COC[C@@H](C)OC[C@@H](O)C[N@@H+]1CCCC[C@H]1C[NH3+] ZINC000711353243 820008215 /nfs/dbraw/zinc/00/82/15/820008215.db2.gz KOTVXYOIBSFDQG-AGIUHOORSA-N 2 2 260.378 0.212 20 0 CCADLP COC[C@@H](C)OC[C@@H](O)C[N@H+]1CCCC[C@H]1C[NH3+] ZINC000711353243 820008221 /nfs/dbraw/zinc/00/82/21/820008221.db2.gz KOTVXYOIBSFDQG-AGIUHOORSA-N 2 2 260.378 0.212 20 0 CCADLP CO[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001081670523 820816394 /nfs/dbraw/zinc/81/63/94/820816394.db2.gz XYMLYPJLMYNGFX-BFHYXJOUSA-N 2 2 299.390 0.113 20 0 CCADLP CO[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001081670523 820816404 /nfs/dbraw/zinc/81/64/04/820816404.db2.gz XYMLYPJLMYNGFX-BFHYXJOUSA-N 2 2 299.390 0.113 20 0 CCADLP CC(C)(C(=O)N1C[C@H]2CC[N@H+](CCO)C[C@H]21)c1c[nH+]c[nH]1 ZINC001084776505 821387374 /nfs/dbraw/zinc/38/73/74/821387374.db2.gz DFYDPJUPPSJTJH-VXGBXAGGSA-N 2 2 292.383 0.212 20 0 CCADLP CC(C)(C(=O)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21)c1c[nH+]c[nH]1 ZINC001084776505 821387386 /nfs/dbraw/zinc/38/73/86/821387386.db2.gz DFYDPJUPPSJTJH-VXGBXAGGSA-N 2 2 292.383 0.212 20 0 CCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCF)CC[N@@H+]1C ZINC001085605205 821849217 /nfs/dbraw/zinc/84/92/17/821849217.db2.gz CPNVXWTWUDPHRN-JHJVBQTASA-N 2 2 271.380 0.829 20 0 CCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCF)CC[N@H+]1C ZINC001085605205 821849220 /nfs/dbraw/zinc/84/92/20/821849220.db2.gz CPNVXWTWUDPHRN-JHJVBQTASA-N 2 2 271.380 0.829 20 0 CCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2CCF)CC[NH+]1C ZINC001085605205 821849231 /nfs/dbraw/zinc/84/92/31/821849231.db2.gz CPNVXWTWUDPHRN-JHJVBQTASA-N 2 2 271.380 0.829 20 0 CCADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2CCF)CC[NH+]1C ZINC001085605205 821849243 /nfs/dbraw/zinc/84/92/43/821849243.db2.gz CPNVXWTWUDPHRN-JHJVBQTASA-N 2 2 271.380 0.829 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)[C@@H](C2CC2)[NH+](C)C)o1 ZINC001129436001 837509395 /nfs/dbraw/zinc/50/93/95/837509395.db2.gz KZTDJIXLZZZDLR-CYBMUJFWSA-N 2 2 280.372 0.529 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)C[N@@H+](C)C2CCC2)o1 ZINC001129526688 837519253 /nfs/dbraw/zinc/51/92/53/837519253.db2.gz OBWFGIYHGAXOBH-UHFFFAOYSA-N 2 2 281.360 0.068 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)C[N@H+](C)C2CCC2)o1 ZINC001129526688 837519261 /nfs/dbraw/zinc/51/92/61/837519261.db2.gz OBWFGIYHGAXOBH-UHFFFAOYSA-N 2 2 281.360 0.068 20 0 CCADLP CCOc1cncc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001157910538 837680102 /nfs/dbraw/zinc/68/01/02/837680102.db2.gz JURWIPGSABQXLR-UHFFFAOYSA-N 2 2 264.333 0.469 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NCC[NH2+]CCC[C@@H](C)O ZINC001130176512 837710765 /nfs/dbraw/zinc/71/07/65/837710765.db2.gz RRJDVNOYOABZFD-GFCCVEGCSA-N 2 2 295.383 0.500 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCC[NH2+]C[C@H](C)O)c[nH+]1 ZINC001130165280 837711376 /nfs/dbraw/zinc/71/13/76/837711376.db2.gz WYVBUVOGZMNNHM-NSHDSACASA-N 2 2 268.361 0.013 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NCC[NH2+]C(C)C ZINC001130180343 837714410 /nfs/dbraw/zinc/71/44/10/837714410.db2.gz NQRPIIDCBYCJHJ-UHFFFAOYSA-N 2 2 251.330 0.747 20 0 CCADLP CCc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@@H](CC)[NH+](C)C)o1 ZINC001130205654 837728123 /nfs/dbraw/zinc/72/81/23/837728123.db2.gz RIUMGWDJYHMFKA-GHMZBOCLSA-N 2 2 297.403 0.739 20 0 CCADLP [NH3+]Cc1nc(=O)[nH]n1-c1cc(Cl)nc2c1CC[NH2+]C2 ZINC001157941249 837746966 /nfs/dbraw/zinc/74/69/66/837746966.db2.gz YHYQIVHHORRTBP-UHFFFAOYSA-N 2 2 280.719 0.126 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2CCCC[N@H+]2C)s1 ZINC001130296707 837751007 /nfs/dbraw/zinc/75/10/07/837751007.db2.gz BDWWABVKZSZCRT-NSHDSACASA-N 2 2 297.428 0.537 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2CCCC[N@@H+]2C)s1 ZINC001130296707 837751019 /nfs/dbraw/zinc/75/10/19/837751019.db2.gz BDWWABVKZSZCRT-NSHDSACASA-N 2 2 297.428 0.537 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@H]2CCCC[N@@H+]2C)[nH]1 ZINC001130300356 837758923 /nfs/dbraw/zinc/75/89/23/837758923.db2.gz NCQFFSNKJQLJOA-ZYHUDNBSSA-N 2 2 294.403 0.364 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@H]2CCCC[N@H+]2C)[nH]1 ZINC001130300356 837758929 /nfs/dbraw/zinc/75/89/29/837758929.db2.gz NCQFFSNKJQLJOA-ZYHUDNBSSA-N 2 2 294.403 0.364 20 0 CCADLP CC(C)C[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130407742 837786012 /nfs/dbraw/zinc/78/60/12/837786012.db2.gz XOCVXFCILGTUGF-GFCCVEGCSA-N 2 2 264.373 0.807 20 0 CCADLP O=C(NCC[NH2+]C[C@@H]1CCOC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130406931 837786948 /nfs/dbraw/zinc/78/69/48/837786948.db2.gz HWTGHPAZUDLZFG-QWHCGFSZSA-N 2 2 292.383 0.188 20 0 CCADLP CC[C@H](C[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)OC ZINC001130478135 837800988 /nfs/dbraw/zinc/80/09/88/837800988.db2.gz SXGWMYKLPFBJKQ-CHWSQXEVSA-N 2 2 294.399 0.576 20 0 CCADLP Cc1[nH+]ccn1-c1cc(NCCN(C)CC[NH3+])ncn1 ZINC001170497304 837804472 /nfs/dbraw/zinc/80/44/72/837804472.db2.gz GFHFSAXANGRULX-UHFFFAOYSA-N 2 2 275.360 0.273 20 0 CCADLP CC(C)OCC[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130487951 837810430 /nfs/dbraw/zinc/81/04/30/837810430.db2.gz LUDLNBFRGPETCR-ZDUSSCGKSA-N 2 2 294.399 0.576 20 0 CCADLP CCCC[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130484256 837808758 /nfs/dbraw/zinc/80/87/58/837808758.db2.gz JAISCVHXAIKZBN-LBPRGKRZSA-N 2 2 264.373 0.951 20 0 CCADLP CC[C@@H](F)C[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130487604 837813215 /nfs/dbraw/zinc/81/32/15/837813215.db2.gz HXTBAEYQWWDRRJ-VXGBXAGGSA-N 2 2 282.363 0.899 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)CCc1ccc(N)[nH+]c1 ZINC001183934987 844114629 /nfs/dbraw/zinc/11/46/29/844114629.db2.gz FLWOLNGHQONJCV-UHFFFAOYSA-N 2 2 273.340 0.918 20 0 CCADLP Cc1nc(NC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001108387334 835996904 /nfs/dbraw/zinc/99/69/04/835996904.db2.gz DUXUFZQTRRODLF-CMPLNLGQSA-N 2 2 277.372 0.653 20 0 CCADLP Cc1nc(NC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001108387334 835996910 /nfs/dbraw/zinc/99/69/10/835996910.db2.gz DUXUFZQTRRODLF-CMPLNLGQSA-N 2 2 277.372 0.653 20 0 CCADLP Cc1[nH]c2c(ncnc2-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1C ZINC001169070811 836123598 /nfs/dbraw/zinc/12/35/98/836123598.db2.gz CPNFCXWDEPUMRC-SNVBAGLBSA-N 2 2 286.339 0.623 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1c[nH]cc2ncnc1-2 ZINC001169073837 836126522 /nfs/dbraw/zinc/12/65/22/836126522.db2.gz MYOXWJKVWIRRFM-MRVPVSSYSA-N 2 2 258.285 0.006 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1COCCC13OCCO3)C2 ZINC001169099077 836130082 /nfs/dbraw/zinc/13/00/82/836130082.db2.gz MVMWYFGYPJKXQS-XJFOESAGSA-N 2 2 282.384 0.733 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1COCCC13OCCO3)C2 ZINC001169099077 836130086 /nfs/dbraw/zinc/13/00/86/836130086.db2.gz MVMWYFGYPJKXQS-XJFOESAGSA-N 2 2 282.384 0.733 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001169098393 836130451 /nfs/dbraw/zinc/13/04/51/836130451.db2.gz HCWXHKQSSUFKLF-RVMXOQNASA-N 2 2 272.414 0.636 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001169098393 836130454 /nfs/dbraw/zinc/13/04/54/836130454.db2.gz HCWXHKQSSUFKLF-RVMXOQNASA-N 2 2 272.414 0.636 20 0 CCADLP C[C@H]1CC[C@@H](C[NH2+]CCCNC(=O)Cc2[nH]cc[nH+]2)O1 ZINC001169203739 836158655 /nfs/dbraw/zinc/15/86/55/836158655.db2.gz AZPXRECFHWLASP-RYUDHWBXSA-N 2 2 280.372 0.616 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)CCCC[NH+](C)C ZINC001184058837 844148416 /nfs/dbraw/zinc/14/84/16/844148416.db2.gz LSDFUOVYDDTZKW-LBPRGKRZSA-N 2 2 285.388 0.034 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)CCCC[NH+](C)C ZINC001184058837 844148418 /nfs/dbraw/zinc/14/84/18/844148418.db2.gz LSDFUOVYDDTZKW-LBPRGKRZSA-N 2 2 285.388 0.034 20 0 CCADLP CC(=O)N1CC[C@H]([NH+]2C[C@H]3[C@H](C2)CCC[N@@H+]3C)C1 ZINC001169564494 836355011 /nfs/dbraw/zinc/35/50/11/836355011.db2.gz XTDNJOCHFFRFCB-IHRRRGAJSA-N 2 2 251.374 0.633 20 0 CCADLP CC(=O)N1CC[C@H]([NH+]2C[C@H]3[C@H](C2)CCC[N@H+]3C)C1 ZINC001169564494 836355003 /nfs/dbraw/zinc/35/50/03/836355003.db2.gz XTDNJOCHFFRFCB-IHRRRGAJSA-N 2 2 251.374 0.633 20 0 CCADLP CC(=O)N1CC[C@H]([N@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)C1 ZINC001169564494 836355015 /nfs/dbraw/zinc/35/50/15/836355015.db2.gz XTDNJOCHFFRFCB-IHRRRGAJSA-N 2 2 251.374 0.633 20 0 CCADLP CC(=O)N1CC[C@H]([N@@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)C1 ZINC001169564494 836355024 /nfs/dbraw/zinc/35/50/24/836355024.db2.gz XTDNJOCHFFRFCB-IHRRRGAJSA-N 2 2 251.374 0.633 20 0 CCADLP C=CC(=O)NCCNc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001169814824 836450257 /nfs/dbraw/zinc/45/02/57/836450257.db2.gz XLWVPPCXIJEWAJ-CQSZACIVSA-N 2 2 288.395 0.934 20 0 CCADLP C=CC(=O)NCCNc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001169814824 836450267 /nfs/dbraw/zinc/45/02/67/836450267.db2.gz XLWVPPCXIJEWAJ-CQSZACIVSA-N 2 2 288.395 0.934 20 0 CCADLP C[NH2+][C@@H]1CCN1c1cccc(N2CC[NH+](C)CC2)n1 ZINC001156661255 836664739 /nfs/dbraw/zinc/66/47/39/836664739.db2.gz YDSBEOSGQUNATR-LBPRGKRZSA-N 2 2 261.373 0.589 20 0 CCADLP c1[nH+]c(C2C[NH2+]C2)c2ccc(NC[C@H]3COCC[NH2+]3)cn12 ZINC001170042245 836771928 /nfs/dbraw/zinc/77/19/28/836771928.db2.gz BIVMTKGRHNWTJE-ZDUSSCGKSA-N 3 2 287.367 0.421 20 0 CCADLP COCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC001115015739 837090201 /nfs/dbraw/zinc/09/02/01/837090201.db2.gz JSYJWWBSBPYAKG-JYAVWHMHSA-N 2 2 292.383 0.425 20 0 CCADLP COCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC001115015739 837090212 /nfs/dbraw/zinc/09/02/12/837090212.db2.gz JSYJWWBSBPYAKG-JYAVWHMHSA-N 2 2 292.383 0.425 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[NH+](CCC[C@@H](C)O)CC1 ZINC001113634424 837182092 /nfs/dbraw/zinc/18/20/92/837182092.db2.gz CJDZDRCIZIUIEQ-CYBMUJFWSA-N 2 2 294.399 0.497 20 0 CCADLP COCc1ccc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)nn1 ZINC001158267666 838011279 /nfs/dbraw/zinc/01/12/79/838011279.db2.gz IXFQDFFUPXMZAF-LBPRGKRZSA-N 2 2 291.399 0.625 20 0 CCADLP COCc1ccc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)nn1 ZINC001158267666 838011292 /nfs/dbraw/zinc/01/12/92/838011292.db2.gz IXFQDFFUPXMZAF-LBPRGKRZSA-N 2 2 291.399 0.625 20 0 CCADLP C[C@@H](Nc1ccc(N(C)C)c[nH+]1)[C@@H]1C[NH2+]CCO1 ZINC001170569135 838136757 /nfs/dbraw/zinc/13/67/57/838136757.db2.gz ICFMMFPGHMTABG-PWSUYJOCSA-N 2 2 250.346 0.936 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]CCOC1CCC1 ZINC001131652872 838167240 /nfs/dbraw/zinc/16/72/40/838167240.db2.gz LEXSMGFNGAKXJJ-UHFFFAOYSA-N 2 2 294.399 0.628 20 0 CCADLP COCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132025121 838295113 /nfs/dbraw/zinc/29/51/13/838295113.db2.gz MEBJWWYIQDMRBG-OLZOCXBDSA-N 2 2 294.399 0.958 20 0 CCADLP COCC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)CC[C@H]1C ZINC001132025121 838295123 /nfs/dbraw/zinc/29/51/23/838295123.db2.gz MEBJWWYIQDMRBG-OLZOCXBDSA-N 2 2 294.399 0.958 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)CCn2cc[nH+]c2)cn1 ZINC001132081878 838313273 /nfs/dbraw/zinc/31/32/73/838313273.db2.gz FKVAITIRKPJIJG-UHFFFAOYSA-N 2 2 288.355 0.278 20 0 CCADLP Cc1ncc(C[NH2+]CCNC(=O)CCn2cc[nH+]c2)s1 ZINC001132080036 838313324 /nfs/dbraw/zinc/31/33/24/838313324.db2.gz YUTWXFPGOKSAPZ-UHFFFAOYSA-N 2 2 293.396 0.944 20 0 CCADLP CC(C)OCCC[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132082339 838314616 /nfs/dbraw/zinc/31/46/16/838314616.db2.gz LPBLCGTVRFDHMG-UHFFFAOYSA-N 2 2 282.388 0.794 20 0 CCADLP C[NH+](C)Cc1ccoc1C(=O)NCC[NH2+]Cc1ccon1 ZINC001132983962 838530035 /nfs/dbraw/zinc/53/00/35/838530035.db2.gz SIGVVHZFYWXNOJ-UHFFFAOYSA-N 2 2 292.339 0.849 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)C2(C[NH+](C)C)CC2)o1 ZINC001132995091 838532823 /nfs/dbraw/zinc/53/28/23/838532823.db2.gz LQNWSKXFPDMACQ-SNVBAGLBSA-N 2 2 295.387 0.487 20 0 CCADLP C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CCCO ZINC001133355275 838609519 /nfs/dbraw/zinc/60/95/19/838609519.db2.gz WYRHMHWHRFOIMU-ZIAGYGMSSA-N 2 2 294.399 0.340 20 0 CCADLP O=C(NCC[NH2+]C[C@H]1CCOC1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001133664127 838691159 /nfs/dbraw/zinc/69/11/59/838691159.db2.gz MDJQEWQZIQSABW-NEPJUHHUSA-N 2 2 292.383 0.572 20 0 CCADLP O=C(NCC[NH2+]CCF)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001133664442 838691191 /nfs/dbraw/zinc/69/11/91/838691191.db2.gz REYMYZFJFQQAAN-SECBINFHSA-N 2 2 254.309 0.505 20 0 CCADLP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]Cc1csnn1 ZINC001133834060 838734658 /nfs/dbraw/zinc/73/46/58/838734658.db2.gz MTYQBKMKNUYQDL-JTQLQIEISA-N 2 2 283.401 0.228 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)oc1C ZINC001133866734 838758220 /nfs/dbraw/zinc/75/82/20/838758220.db2.gz OJMGANAUTDOWST-GWCFXTLKSA-N 2 2 294.399 0.695 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)oc1C ZINC001133866734 838758225 /nfs/dbraw/zinc/75/82/25/838758225.db2.gz OJMGANAUTDOWST-GWCFXTLKSA-N 2 2 294.399 0.695 20 0 CCADLP CC[C@@H](C(=O)NCC[NH2+]Cc1nnc(C2CC2)o1)[NH+](C)C ZINC001133983045 838803798 /nfs/dbraw/zinc/80/37/98/838803798.db2.gz WLLZNMGJBNGAEM-NSHDSACASA-N 2 2 295.387 0.493 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]C[C@H]1C[C@]12CCOC2 ZINC001134396919 838966283 /nfs/dbraw/zinc/96/62/83/838966283.db2.gz IGOOSYODMAKKOJ-RISCZKNCSA-N 2 2 278.356 0.085 20 0 CCADLP C[C@H](CC(=O)NCC[NH2+][C@H](C)C(=O)N(C)C)n1cc[nH+]c1 ZINC001134517660 839002019 /nfs/dbraw/zinc/00/20/19/839002019.db2.gz NRMQSKDJJXQYBJ-VXGBXAGGSA-N 2 2 295.387 0.017 20 0 CCADLP COCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001135056921 839143979 /nfs/dbraw/zinc/14/39/79/839143979.db2.gz PJNRWFYVGXWJIU-QWHCGFSZSA-N 2 2 296.415 0.872 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]Cc1cccnc1 ZINC001135075485 839150683 /nfs/dbraw/zinc/15/06/83/839150683.db2.gz MEPWUAJPUNOKFH-LBPRGKRZSA-N 2 2 287.367 0.889 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]Cc1cccnc1 ZINC001135075485 839150693 /nfs/dbraw/zinc/15/06/93/839150693.db2.gz MEPWUAJPUNOKFH-LBPRGKRZSA-N 2 2 287.367 0.889 20 0 CCADLP COCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135135921 839168566 /nfs/dbraw/zinc/16/85/66/839168566.db2.gz DFPSGODNRSTCQX-CHWSQXEVSA-N 2 2 282.388 0.793 20 0 CCADLP Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)C2)o1 ZINC001185407836 844415457 /nfs/dbraw/zinc/41/54/57/844415457.db2.gz FMNXUOSSEQMPCC-LLVKDONJSA-N 2 2 281.360 0.020 20 0 CCADLP CCc1nnc([C@H](C)[NH2+]CCNC(=O)C[NH+](CC)CC)o1 ZINC001135513745 839280705 /nfs/dbraw/zinc/28/07/05/839280705.db2.gz XJDRKAMIRDRNDM-NSHDSACASA-N 2 2 297.403 0.741 20 0 CCADLP CCc1nnc([C@@H](C)[NH2+]CCNC(=O)C[NH+](CC)CC)o1 ZINC001135513744 839281029 /nfs/dbraw/zinc/28/10/29/839281029.db2.gz XJDRKAMIRDRNDM-LLVKDONJSA-N 2 2 297.403 0.741 20 0 CCADLP COCCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135552803 839291715 /nfs/dbraw/zinc/29/17/15/839291715.db2.gz KQFNRCGQYRTOFO-NEPJUHHUSA-N 2 2 282.388 0.862 20 0 CCADLP C[C@H](Nc1cc(N(C)C)nc[nH+]1)[C@@H]1C[NH2+]CCO1 ZINC001159489495 839302374 /nfs/dbraw/zinc/30/23/74/839302374.db2.gz PHXXYWZCOLOGRJ-UWVGGRQHSA-N 2 2 251.334 0.331 20 0 CCADLP C[C@H](Nc1cc(N(C)C)[nH+]cn1)[C@@H]1C[NH2+]CCO1 ZINC001159489495 839302383 /nfs/dbraw/zinc/30/23/83/839302383.db2.gz PHXXYWZCOLOGRJ-UWVGGRQHSA-N 2 2 251.334 0.331 20 0 CCADLP COCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001273508459 844452751 /nfs/dbraw/zinc/45/27/51/844452751.db2.gz KNAOUVRPJHUHGE-ZIAGYGMSSA-N 2 2 292.383 0.595 20 0 CCADLP COCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCn1cc[nH+]c1 ZINC001273508459 844452754 /nfs/dbraw/zinc/45/27/54/844452754.db2.gz KNAOUVRPJHUHGE-ZIAGYGMSSA-N 2 2 292.383 0.595 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+]CCCCN2CC[NH2+]CC2)C[NH2+]1 ZINC001246089106 839603153 /nfs/dbraw/zinc/60/31/53/839603153.db2.gz OPJLEMLZHOZDBZ-KGLIPLIRSA-N 3 2 254.422 0.402 20 0 CCADLP CCOC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[NH2+]C2)CCN1 ZINC001246089264 839603418 /nfs/dbraw/zinc/60/34/18/839603418.db2.gz BXAIHDXYBGVAAM-XQQFMLRXSA-N 2 2 269.389 0.402 20 0 CCADLP CCCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001090600494 839667739 /nfs/dbraw/zinc/66/77/39/839667739.db2.gz LFRYPEYWHQRUJS-OLZOCXBDSA-N 2 2 280.372 0.304 20 0 CCADLP CCCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001090600494 839667740 /nfs/dbraw/zinc/66/77/40/839667740.db2.gz LFRYPEYWHQRUJS-OLZOCXBDSA-N 2 2 280.372 0.304 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H](N[C@@]2(C)CCC[NH2+]C2)C[NH2+]1 ZINC001246189521 839671078 /nfs/dbraw/zinc/67/10/78/839671078.db2.gz NBZQQDLLDRPKJO-FPMFFAJLSA-N 2 2 269.389 0.402 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[N@@H+](CCC2CC2)C[C@@H]1O ZINC001090677799 839732289 /nfs/dbraw/zinc/73/22/89/839732289.db2.gz BJXCZXUHCKQVLP-OLZOCXBDSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[N@H+](CCC2CC2)C[C@@H]1O ZINC001090677799 839732295 /nfs/dbraw/zinc/73/22/95/839732295.db2.gz BJXCZXUHCKQVLP-OLZOCXBDSA-N 2 2 292.383 0.304 20 0 CCADLP CCCCOC(=O)CC[C@H](C)[NH2+][C@H]1C[NH2+]C[C@@H]1CO ZINC001246299997 839775745 /nfs/dbraw/zinc/77/57/45/839775745.db2.gz OKNKFVGKWAULGW-XQQFMLRXSA-N 2 2 272.389 0.668 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@@H](N[C@@H]2C[NH2+]C[C@H](C)C2)C[NH2+]1 ZINC001246497708 839876553 /nfs/dbraw/zinc/87/65/53/839876553.db2.gz PLYDCLFNVJKVNZ-GFQSEFKGSA-N 2 2 269.389 0.258 20 0 CCADLP CCOC(=O)CN1CC[NH+]([C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246537598 839916856 /nfs/dbraw/zinc/91/68/56/839916856.db2.gz KYLXWPMOWDDNBG-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP CC(C)C[NH+]1CCC([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246585743 840124878 /nfs/dbraw/zinc/12/48/78/840124878.db2.gz QGYSHLPIXUUKQT-JSGCOSHPSA-N 3 2 255.406 0.358 20 0 CCADLP CC(C)C[NH+]1CCC([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC1 ZINC001246585743 840124883 /nfs/dbraw/zinc/12/48/83/840124883.db2.gz QGYSHLPIXUUKQT-JSGCOSHPSA-N 3 2 255.406 0.358 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CCN1 ZINC001246589731 840133272 /nfs/dbraw/zinc/13/32/72/840133272.db2.gz UBTTTXUDFLVZKE-VOAKCMCISA-N 2 2 287.379 0.431 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CCN1 ZINC001246589731 840133280 /nfs/dbraw/zinc/13/32/80/840133280.db2.gz UBTTTXUDFLVZKE-VOAKCMCISA-N 2 2 287.379 0.431 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCN(c3cccnn3)CC2)CC[NH2+]1 ZINC001246813706 840259673 /nfs/dbraw/zinc/25/96/73/840259673.db2.gz PDACKUGZKFQYRA-CHWSQXEVSA-N 2 2 261.373 0.739 20 0 CCADLP C[C@H]1C[C@H]([NH+]2CCN(CCC[NH+](C)C)CC2)CC[NH2+]1 ZINC001246823945 840266491 /nfs/dbraw/zinc/26/64/91/840266491.db2.gz HVDAKAPQDMJNIV-LSDHHAIUSA-N 3 2 268.449 0.696 20 0 CCADLP CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001146787114 840378380 /nfs/dbraw/zinc/37/83/80/840378380.db2.gz RCZRDQYZAWGOAN-CYBMUJFWSA-N 2 2 269.389 0.165 20 0 CCADLP CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001146787114 840378395 /nfs/dbraw/zinc/37/83/95/840378395.db2.gz RCZRDQYZAWGOAN-CYBMUJFWSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH+](C)C1 ZINC001186364887 844543088 /nfs/dbraw/zinc/54/30/88/844543088.db2.gz VJUOWLXEDNTDIF-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCC[NH+](C)C1 ZINC001186364887 844543097 /nfs/dbraw/zinc/54/30/97/844543097.db2.gz VJUOWLXEDNTDIF-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@H]1CCC[N@H+](C)C1 ZINC001186364887 844543103 /nfs/dbraw/zinc/54/31/03/844543103.db2.gz VJUOWLXEDNTDIF-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@H]1CCC[N@@H+](C)C1 ZINC001186364887 844543113 /nfs/dbraw/zinc/54/31/13/844543113.db2.gz VJUOWLXEDNTDIF-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP CC[C@@H](C[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C)OC ZINC001149123632 840516885 /nfs/dbraw/zinc/51/68/85/840516885.db2.gz MQKJJBIXDXHONO-NSHDSACASA-N 2 2 268.361 0.391 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)o2)C1 ZINC001186452492 844550568 /nfs/dbraw/zinc/55/05/68/844550568.db2.gz QHOOPAAUSGEZDN-GFCCVEGCSA-N 2 2 295.387 0.410 20 0 CCADLP COCCC[N@@H+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001148350478 840788819 /nfs/dbraw/zinc/78/88/19/840788819.db2.gz ACTVPEADEAEPBL-UHFFFAOYSA-N 2 2 292.383 0.523 20 0 CCADLP COCCC[N@H+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001148350478 840788826 /nfs/dbraw/zinc/78/88/26/840788826.db2.gz ACTVPEADEAEPBL-UHFFFAOYSA-N 2 2 292.383 0.523 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)CCCC[NH+](C)C)o1 ZINC001148360526 840793316 /nfs/dbraw/zinc/79/33/16/840793316.db2.gz WMQJFGQYASENPC-UHFFFAOYSA-N 2 2 297.403 0.570 20 0 CCADLP O=S1(=O)CCCN1CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000715013334 841244211 /nfs/dbraw/zinc/24/42/11/841244211.db2.gz RQPSIINCHYJGSW-CHWSQXEVSA-N 2 2 287.429 0.096 20 0 CCADLP O=S1(=O)CCCN1CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000715013334 841244217 /nfs/dbraw/zinc/24/42/17/841244217.db2.gz RQPSIINCHYJGSW-CHWSQXEVSA-N 2 2 287.429 0.096 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]2[C@@H](CC[N@H+]2CCCO)C1 ZINC001036829359 841333919 /nfs/dbraw/zinc/33/39/19/841333919.db2.gz DAXOEOBYHFYXCI-GXTWGEPZSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCCO)C1 ZINC001036829359 841333930 /nfs/dbraw/zinc/33/39/30/841333930.db2.gz DAXOEOBYHFYXCI-GXTWGEPZSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2[C@@H](CC[N@H+]2CCCO)C1 ZINC001036829360 841335631 /nfs/dbraw/zinc/33/56/31/841335631.db2.gz DAXOEOBYHFYXCI-JSGCOSHPSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2[C@@H](CC[N@@H+]2CCCO)C1 ZINC001036829360 841335639 /nfs/dbraw/zinc/33/56/39/841335639.db2.gz DAXOEOBYHFYXCI-JSGCOSHPSA-N 2 2 292.383 0.257 20 0 CCADLP C[NH+]1CC(C[NH2+][C@H]2CC(=O)N(C(=O)OC(C)(C)C)C2)C1 ZINC001171691750 841758197 /nfs/dbraw/zinc/75/81/97/841758197.db2.gz UNEFTJMNKAHBEM-NSHDSACASA-N 2 2 283.372 0.674 20 0 CCADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCN(C2CC2)C(=O)C1 ZINC001171997106 841780627 /nfs/dbraw/zinc/78/06/27/841780627.db2.gz AWDCSDGQRJFKKA-YPMHNXCESA-N 2 2 251.374 0.824 20 0 CCADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCN(C2CC2)C(=O)C1 ZINC001171997106 841780625 /nfs/dbraw/zinc/78/06/25/841780625.db2.gz AWDCSDGQRJFKKA-YPMHNXCESA-N 2 2 251.374 0.824 20 0 CCADLP CCOC(=O)[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(CC)C(=O)C1 ZINC001172027784 841805106 /nfs/dbraw/zinc/80/51/06/841805106.db2.gz FPLGSRPKRQAGOA-NEPJUHHUSA-N 2 2 285.388 0.258 20 0 CCADLP C[NH+](C)[C@H]1CCCN(C2C[C@@H]3COC[C@H](C2)[N@@H+]3C)C1 ZINC001172140157 841845169 /nfs/dbraw/zinc/84/51/69/841845169.db2.gz SGVHLWIQSBJHDV-AVOUXACISA-N 2 2 267.417 0.874 20 0 CCADLP C[NH+](C)[C@H]1CCCN(C2C[C@@H]3COC[C@H](C2)[N@H+]3C)C1 ZINC001172140157 841845177 /nfs/dbraw/zinc/84/51/77/841845177.db2.gz SGVHLWIQSBJHDV-AVOUXACISA-N 2 2 267.417 0.874 20 0 CCADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1C[C@@H]2COC[C@H](C1)N2C ZINC001172123007 841854408 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CCADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]C[C@H]1CCCCO1 ZINC001177405591 842578068 /nfs/dbraw/zinc/57/80/68/842578068.db2.gz PILHYLOUXHRMGW-CYBMUJFWSA-N 2 2 280.372 0.548 20 0 CCADLP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H](C)n2cc[nH+]c2)O1 ZINC001177926275 842712875 /nfs/dbraw/zinc/71/28/75/842712875.db2.gz ANGLTVBTNQTELY-BYNQJWBRSA-N 2 2 296.371 0.285 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001178697306 842904333 /nfs/dbraw/zinc/90/43/33/842904333.db2.gz GBXHQXXVCDGNBI-CYBMUJFWSA-N 2 2 281.400 0.452 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001178697306 842904339 /nfs/dbraw/zinc/90/43/39/842904339.db2.gz GBXHQXXVCDGNBI-CYBMUJFWSA-N 2 2 281.400 0.452 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001179617638 843027588 /nfs/dbraw/zinc/02/75/88/843027588.db2.gz JNXDNZCYEFJLPM-GVXVVHGQSA-N 2 2 280.372 0.566 20 0 CCADLP CC(C)[NH+]1CCN(CC(=O)NCCc2cn(C)c[nH+]2)CC1 ZINC001180349541 843149084 /nfs/dbraw/zinc/14/90/84/843149084.db2.gz PDZFMOYBOGXWMB-UHFFFAOYSA-N 2 2 293.415 0.105 20 0 CCADLP CN(C)c1cc[nH+]cc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001180756150 843276444 /nfs/dbraw/zinc/27/64/44/843276444.db2.gz VYAIHRZCXXVCMB-GFCCVEGCSA-N 2 2 264.329 0.417 20 0 CCADLP CN(C)c1cc[nH+]cc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001180756150 843276452 /nfs/dbraw/zinc/27/64/52/843276452.db2.gz VYAIHRZCXXVCMB-GFCCVEGCSA-N 2 2 264.329 0.417 20 0 CCADLP COCCC[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001182220121 843756536 /nfs/dbraw/zinc/75/65/36/843756536.db2.gz AUPLKAIHMSMVEH-GFCCVEGCSA-N 2 2 280.372 0.569 20 0 CCADLP Cc1cc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cnc1OC(C)C ZINC001206535330 843895386 /nfs/dbraw/zinc/89/53/86/843895386.db2.gz JUGXZRQCPNMMCY-KBPBESRZSA-N 2 2 279.384 0.929 20 0 CCADLP Cc1cc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cnc1OC(C)C ZINC001206535330 843895388 /nfs/dbraw/zinc/89/53/88/843895388.db2.gz JUGXZRQCPNMMCY-KBPBESRZSA-N 2 2 279.384 0.929 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001187092069 844649723 /nfs/dbraw/zinc/64/97/23/844649723.db2.gz NLQUTRYANKJHRO-VXGBXAGGSA-N 2 2 280.372 0.188 20 0 CCADLP C[C@H](O)CCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001187091040 844650407 /nfs/dbraw/zinc/65/04/07/844650407.db2.gz FOHYXLAASUIGSZ-QWHCGFSZSA-N 2 2 294.399 0.314 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001187420639 844723507 /nfs/dbraw/zinc/72/35/07/844723507.db2.gz PQMPQMKTLPMSLU-LLVKDONJSA-N 2 2 266.345 0.098 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001187522827 844734252 /nfs/dbraw/zinc/73/42/52/844734252.db2.gz UNDKNDZBHAOTJI-CHWSQXEVSA-N 2 2 294.399 0.578 20 0 CCADLP COCCCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001188369072 844874604 /nfs/dbraw/zinc/87/46/04/844874604.db2.gz OZIDUGNZBLXDCD-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP COC[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001188375846 844875914 /nfs/dbraw/zinc/87/59/14/844875914.db2.gz LOCLCSQFVGXSCT-NWDGAFQWSA-N 2 2 266.345 0.109 20 0 CCADLP CO[C@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001190546378 845423840 /nfs/dbraw/zinc/42/38/40/845423840.db2.gz GONLZWKJZUOAHU-TZMCWYRMSA-N 2 2 294.399 0.910 20 0 CCADLP CO[C@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001190546378 845423842 /nfs/dbraw/zinc/42/38/42/845423842.db2.gz GONLZWKJZUOAHU-TZMCWYRMSA-N 2 2 294.399 0.910 20 0 CCADLP CO[C@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001190546378 845423849 /nfs/dbraw/zinc/42/38/49/845423849.db2.gz GONLZWKJZUOAHU-TZMCWYRMSA-N 2 2 294.399 0.910 20 0 CCADLP CO[C@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001190546378 845423856 /nfs/dbraw/zinc/42/38/56/845423856.db2.gz GONLZWKJZUOAHU-TZMCWYRMSA-N 2 2 294.399 0.910 20 0 CCADLP COC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001191633677 845698653 /nfs/dbraw/zinc/69/86/53/845698653.db2.gz SMJOIRRBFHWRGR-UONOGXRCSA-N 2 2 294.399 0.841 20 0 CCADLP COC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001191633677 845698656 /nfs/dbraw/zinc/69/86/56/845698656.db2.gz SMJOIRRBFHWRGR-UONOGXRCSA-N 2 2 294.399 0.841 20 0 CCADLP Cn1ccc(C[N@H+](C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001192153337 845795195 /nfs/dbraw/zinc/79/51/95/845795195.db2.gz OXOTUISYRXLJBU-AWEZNQCLSA-N 2 2 293.415 0.405 20 0 CCADLP Cn1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001192153337 845795199 /nfs/dbraw/zinc/79/51/99/845795199.db2.gz OXOTUISYRXLJBU-AWEZNQCLSA-N 2 2 293.415 0.405 20 0 CCADLP CO[C@@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193695390 846142040 /nfs/dbraw/zinc/14/20/40/846142040.db2.gz IBIWIJASSKMNNE-WCQYABFASA-N 2 2 294.399 0.828 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193695390 846142042 /nfs/dbraw/zinc/14/20/42/846142042.db2.gz IBIWIJASSKMNNE-WCQYABFASA-N 2 2 294.399 0.828 20 0 CCADLP C[N@H+](CCCO)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194448755 846291902 /nfs/dbraw/zinc/29/19/02/846291902.db2.gz LHBABKODTLAKHS-AWEZNQCLSA-N 2 2 294.399 0.578 20 0 CCADLP C[N@@H+](CCCO)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194448755 846291914 /nfs/dbraw/zinc/29/19/14/846291914.db2.gz LHBABKODTLAKHS-AWEZNQCLSA-N 2 2 294.399 0.578 20 0 CCADLP COC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194457882 846293831 /nfs/dbraw/zinc/29/38/31/846293831.db2.gz CMRGEHLLGZGPDD-QWHCGFSZSA-N 2 2 280.372 0.451 20 0 CCADLP COC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194457882 846293844 /nfs/dbraw/zinc/29/38/44/846293844.db2.gz CMRGEHLLGZGPDD-QWHCGFSZSA-N 2 2 280.372 0.451 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2cncc(O)c2)C1 ZINC001205689734 846483062 /nfs/dbraw/zinc/48/30/62/846483062.db2.gz RFDUGOFDEOHZDM-CYBMUJFWSA-N 2 2 251.330 0.463 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2cncc(O)c2)C1 ZINC001205689734 846483077 /nfs/dbraw/zinc/48/30/77/846483077.db2.gz RFDUGOFDEOHZDM-CYBMUJFWSA-N 2 2 251.330 0.463 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O ZINC001197049627 846832043 /nfs/dbraw/zinc/83/20/43/846832043.db2.gz ORDKQQQAKZSWGG-IEVRTODYSA-N 2 2 289.807 0.242 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O ZINC001197049627 846832058 /nfs/dbraw/zinc/83/20/58/846832058.db2.gz ORDKQQQAKZSWGG-IEVRTODYSA-N 2 2 289.807 0.242 20 0 CCADLP NC(=O)NC(=O)OCCC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC001197106357 846842990 /nfs/dbraw/zinc/84/29/90/846842990.db2.gz XYOOHYZYLXJHQA-UHFFFAOYSA-N 2 2 293.327 0.217 20 0 CCADLP NC(=O)NC(=O)OCCC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC001197106357 846842996 /nfs/dbraw/zinc/84/29/96/846842996.db2.gz XYOOHYZYLXJHQA-UHFFFAOYSA-N 2 2 293.327 0.217 20 0 CCADLP CCC[N@H+](C)CCC(=O)N1CCC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001197898982 846999831 /nfs/dbraw/zinc/99/98/31/846999831.db2.gz KXRFNBALJVRXOV-ZDUSSCGKSA-N 2 2 298.431 0.126 20 0 CCADLP CCC[N@@H+](C)CCC(=O)N1CCC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001197898982 846999840 /nfs/dbraw/zinc/99/98/40/846999840.db2.gz KXRFNBALJVRXOV-ZDUSSCGKSA-N 2 2 298.431 0.126 20 0 CCADLP CCC[NH+](C)CCC(=O)N1CCC[N@@H+]([C@@H](C)C(N)=O)CC1 ZINC001197898982 846999845 /nfs/dbraw/zinc/99/98/45/846999845.db2.gz KXRFNBALJVRXOV-ZDUSSCGKSA-N 2 2 298.431 0.126 20 0 CCADLP CCC[NH+](C)CCC(=O)N1CCC[N@H+]([C@@H](C)C(N)=O)CC1 ZINC001197898982 846999850 /nfs/dbraw/zinc/99/98/50/846999850.db2.gz KXRFNBALJVRXOV-ZDUSSCGKSA-N 2 2 298.431 0.126 20 0 CCADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)NCCO)cc1 ZINC001198007622 847015390 /nfs/dbraw/zinc/01/53/90/847015390.db2.gz NUAUIIMYGUGOGT-UHFFFAOYSA-N 2 2 293.411 0.792 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)NCCO)cc1 ZINC001198007622 847015394 /nfs/dbraw/zinc/01/53/94/847015394.db2.gz NUAUIIMYGUGOGT-UHFFFAOYSA-N 2 2 293.411 0.792 20 0 CCADLP CC(C)c1nnc(C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C)o1 ZINC001152440102 847090863 /nfs/dbraw/zinc/09/08/63/847090863.db2.gz YVFJSHKCFXGCPU-UHFFFAOYSA-N 2 2 297.403 0.739 20 0 CCADLP CC(C)c1nnc(C[NH2+]CCNC(=O)C[N@H+](C)C(C)C)o1 ZINC001152440102 847090872 /nfs/dbraw/zinc/09/08/72/847090872.db2.gz YVFJSHKCFXGCPU-UHFFFAOYSA-N 2 2 297.403 0.739 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001199352134 847296455 /nfs/dbraw/zinc/29/64/55/847296455.db2.gz RKGGESZEFIWSQZ-UHFFFAOYSA-N 2 2 290.367 0.210 20 0 CCADLP CN1C[C@]2(CC[N@@H+](C3CC[NH+](C)CC3)C2)OCC1=O ZINC001273829609 847619577 /nfs/dbraw/zinc/61/95/77/847619577.db2.gz IOIDZGDGQZZQFZ-AWEZNQCLSA-N 2 2 267.373 0.014 20 0 CCADLP CN1C[C@]2(CC[N@H+](C3CC[NH+](C)CC3)C2)OCC1=O ZINC001273829609 847619583 /nfs/dbraw/zinc/61/95/83/847619583.db2.gz IOIDZGDGQZZQFZ-AWEZNQCLSA-N 2 2 267.373 0.014 20 0 CCADLP CN1CC[C@@]2(CCC[N@@H+]2C[C@H](O)C[NH2+]C(C)(C)C)C1=O ZINC001273868255 847704337 /nfs/dbraw/zinc/70/43/37/847704337.db2.gz NHLWUYNWJLTXKT-DOMZBBRYSA-N 2 2 283.416 0.432 20 0 CCADLP CN1CC[C@@]2(CCC[N@H+]2C[C@H](O)C[NH2+]C(C)(C)C)C1=O ZINC001273868255 847704341 /nfs/dbraw/zinc/70/43/41/847704341.db2.gz NHLWUYNWJLTXKT-DOMZBBRYSA-N 2 2 283.416 0.432 20 0 CCADLP CC[N@@H+]1CCO[C@@H]2C[NH+](CCCC(=O)OC)C[C@@H]2C1 ZINC001202218758 847869156 /nfs/dbraw/zinc/86/91/56/847869156.db2.gz QHUQPKOAONJTQQ-QWHCGFSZSA-N 2 2 270.373 0.592 20 0 CCADLP CC[N@H+]1CCO[C@@H]2C[NH+](CCCC(=O)OC)C[C@@H]2C1 ZINC001202218758 847869161 /nfs/dbraw/zinc/86/91/61/847869161.db2.gz QHUQPKOAONJTQQ-QWHCGFSZSA-N 2 2 270.373 0.592 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@H+](CCCC(=O)OC)C[C@@H]2C1 ZINC001202218758 847869168 /nfs/dbraw/zinc/86/91/68/847869168.db2.gz QHUQPKOAONJTQQ-QWHCGFSZSA-N 2 2 270.373 0.592 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@@H+](CCCC(=O)OC)C[C@@H]2C1 ZINC001202218758 847869173 /nfs/dbraw/zinc/86/91/73/847869173.db2.gz QHUQPKOAONJTQQ-QWHCGFSZSA-N 2 2 270.373 0.592 20 0 CCADLP C[C@H](O)CCC[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001202667790 848206830 /nfs/dbraw/zinc/20/68/30/848206830.db2.gz MWLGRUADGVATRE-LBPRGKRZSA-N 2 2 294.399 0.694 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@@H](O)c1cc(F)ccc1F ZINC000717316580 848228346 /nfs/dbraw/zinc/22/83/46/848228346.db2.gz LCLZUTZFDRDZRI-ZWNOBZJWSA-N 2 2 274.311 0.510 20 0 CCADLP CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001274143428 848360171 /nfs/dbraw/zinc/36/01/71/848360171.db2.gz SBZNWYGMWNABDH-AAOUONPWSA-N 2 2 262.357 0.727 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC/C=C\C[NH2+]CCF ZINC001274244962 848427141 /nfs/dbraw/zinc/42/71/41/848427141.db2.gz ZBRWHCRCWJRQHP-UPHRSURJSA-N 2 2 254.309 0.505 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC2(C[C@H]2C(=O)NC)CC1 ZINC001274657468 848533286 /nfs/dbraw/zinc/53/32/86/848533286.db2.gz XUSYYAPYJFIRFE-KGLIPLIRSA-N 2 2 297.443 0.537 20 0 CCADLP c1cn(CCN2CCO[C@H]3C[N@H+](CC4CC4)C[C@@H]32)c[nH+]1 ZINC001275138070 848647493 /nfs/dbraw/zinc/64/74/93/848647493.db2.gz IFARYVJKBAWVQH-GJZGRUSLSA-N 2 2 276.384 0.678 20 0 CCADLP c1cn(CCN2CCO[C@H]3C[N@@H+](CC4CC4)C[C@@H]32)c[nH+]1 ZINC001275138070 848647497 /nfs/dbraw/zinc/64/74/97/848647497.db2.gz IFARYVJKBAWVQH-GJZGRUSLSA-N 2 2 276.384 0.678 20 0 CCADLP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCC(=O)N1 ZINC001275186629 848659880 /nfs/dbraw/zinc/65/98/80/848659880.db2.gz DBQMCQVWTBIUQP-AVOUXACISA-N 2 2 294.443 0.412 20 0 CCADLP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCC(=O)N1 ZINC001275186629 848659885 /nfs/dbraw/zinc/65/98/85/848659885.db2.gz DBQMCQVWTBIUQP-AVOUXACISA-N 2 2 294.443 0.412 20 0 CCADLP C[NH+](C)CCN1C[C@@H]2CC[N@H+](Cc3cc[nH]n3)[C@@H]2C1 ZINC001275204679 848664813 /nfs/dbraw/zinc/66/48/13/848664813.db2.gz FHACDNWCZBDLLI-GXTWGEPZSA-N 2 2 263.389 0.477 20 0 CCADLP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3cc[nH]n3)[C@@H]2C1 ZINC001275204679 848664817 /nfs/dbraw/zinc/66/48/17/848664817.db2.gz FHACDNWCZBDLLI-GXTWGEPZSA-N 2 2 263.389 0.477 20 0 CCADLP Cc1cncc(C[NH+]2CC3(C2)CCN(CC[NH+](C)C)C3)n1 ZINC001275223668 848672772 /nfs/dbraw/zinc/67/27/72/848672772.db2.gz UPLVOEMTPMYUOX-UHFFFAOYSA-N 2 2 289.427 0.854 20 0 CCADLP CCc1[nH]c(CN2CC3(CN(CC[NH+](C)C)C3)C2)c(C)[nH+]1 ZINC001275231401 848673326 /nfs/dbraw/zinc/67/33/26/848673326.db2.gz ZXRBVAJJWGWFFY-UHFFFAOYSA-N 2 2 291.443 0.960 20 0 CCADLP CN(C)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1cn[nH]n1)CC2 ZINC001275229974 848673407 /nfs/dbraw/zinc/67/34/07/848673407.db2.gz YANZGEFTJTYAGS-UHFFFAOYSA-N 2 2 292.431 0.654 20 0 CCADLP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](Cc1cn[nH]n1)CC2 ZINC001275229974 848673413 /nfs/dbraw/zinc/67/34/13/848673413.db2.gz YANZGEFTJTYAGS-UHFFFAOYSA-N 2 2 292.431 0.654 20 0 CCADLP CN(C)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1c[nH]nn1)CC2 ZINC001275229974 848673415 /nfs/dbraw/zinc/67/34/15/848673415.db2.gz YANZGEFTJTYAGS-UHFFFAOYSA-N 2 2 292.431 0.654 20 0 CCADLP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](Cc1c[nH]nn1)CC2 ZINC001275229974 848673419 /nfs/dbraw/zinc/67/34/19/848673419.db2.gz YANZGEFTJTYAGS-UHFFFAOYSA-N 2 2 292.431 0.654 20 0 CCADLP C[C@@H](C[NH2+]CC[C@H]1CCOC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001275319286 848690071 /nfs/dbraw/zinc/69/00/71/848690071.db2.gz DLODENQJHJOYDJ-RYUDHWBXSA-N 2 2 280.372 0.473 20 0 CCADLP CC[C@H](F)C[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001275468216 848728777 /nfs/dbraw/zinc/72/87/77/848728777.db2.gz VGIOHDHLVHZTDH-QWRGUYRKSA-N 2 2 256.325 0.726 20 0 CCADLP C[NH+](C)CCN1C[C@@H]2C[N@@H+](Cc3ccncc3)C[C@H](C1)O2 ZINC001275889218 848858121 /nfs/dbraw/zinc/85/81/21/848858121.db2.gz PGQKHQHBOUQIJF-IYBDPMFKSA-N 2 2 290.411 0.528 20 0 CCADLP C[NH+](C)CCN1C[C@@H]2C[N@H+](Cc3ccncc3)C[C@H](C1)O2 ZINC001275889218 848858131 /nfs/dbraw/zinc/85/81/31/848858131.db2.gz PGQKHQHBOUQIJF-IYBDPMFKSA-N 2 2 290.411 0.528 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C(C)(C)O)C1 ZINC000719635355 849320882 /nfs/dbraw/zinc/32/08/82/849320882.db2.gz AUFLBNGSJDHIDT-ZIAGYGMSSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C(C)(C)O)C1 ZINC000719635355 849320889 /nfs/dbraw/zinc/32/08/89/849320889.db2.gz AUFLBNGSJDHIDT-ZIAGYGMSSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000719635355 849320894 /nfs/dbraw/zinc/32/08/94/849320894.db2.gz AUFLBNGSJDHIDT-ZIAGYGMSSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000719635355 849320901 /nfs/dbraw/zinc/32/09/01/849320901.db2.gz AUFLBNGSJDHIDT-ZIAGYGMSSA-N 2 2 288.432 0.408 20 0 CCADLP CCOC(=O)CC[C@@H](C)[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001258486639 849362875 /nfs/dbraw/zinc/36/28/75/849362875.db2.gz KRJLLFCWSCZBMA-GFCCVEGCSA-N 2 2 272.389 0.765 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H](O)CO[C@@H](C)COC ZINC000300256575 849364641 /nfs/dbraw/zinc/36/46/41/849364641.db2.gz DGSZNRPPLGEQKI-AVGNSLFASA-N 2 2 260.378 0.083 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H](O)CO[C@@H](C)COC ZINC000300256575 849364648 /nfs/dbraw/zinc/36/46/48/849364648.db2.gz DGSZNRPPLGEQKI-AVGNSLFASA-N 2 2 260.378 0.083 20 0 CCADLP CC(C)OC[C@H](O)C[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000720366103 849420224 /nfs/dbraw/zinc/42/02/24/849420224.db2.gz HVRDDEDZEULJFL-HZSPNIEDSA-N 2 2 256.390 0.941 20 0 CCADLP CC(C)OC[C@H](O)C[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000720366103 849420229 /nfs/dbraw/zinc/42/02/29/849420229.db2.gz HVRDDEDZEULJFL-HZSPNIEDSA-N 2 2 256.390 0.941 20 0 CCADLP CC(C)OC[C@H](O)C[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000720366103 849420232 /nfs/dbraw/zinc/42/02/32/849420232.db2.gz HVRDDEDZEULJFL-HZSPNIEDSA-N 2 2 256.390 0.941 20 0 CCADLP CC(C)OC[C@H](O)C[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000720366103 849420236 /nfs/dbraw/zinc/42/02/36/849420236.db2.gz HVRDDEDZEULJFL-HZSPNIEDSA-N 2 2 256.390 0.941 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000720482264 849474469 /nfs/dbraw/zinc/47/44/69/849474469.db2.gz PRPKFLIKLMCZIQ-YJNKXOJESA-N 2 2 286.416 0.567 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000720482264 849474473 /nfs/dbraw/zinc/47/44/73/849474473.db2.gz PRPKFLIKLMCZIQ-YJNKXOJESA-N 2 2 286.416 0.567 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000720482264 849474479 /nfs/dbraw/zinc/47/44/79/849474479.db2.gz PRPKFLIKLMCZIQ-YJNKXOJESA-N 2 2 286.416 0.567 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000720482264 849474484 /nfs/dbraw/zinc/47/44/84/849474484.db2.gz PRPKFLIKLMCZIQ-YJNKXOJESA-N 2 2 286.416 0.567 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+]2CCCF)O1 ZINC001038401469 849880718 /nfs/dbraw/zinc/88/07/18/849880718.db2.gz VCFRAMMZIFMWPF-JHJVBQTASA-N 2 2 287.379 0.256 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+]2CCCF)O1 ZINC001038401469 849880725 /nfs/dbraw/zinc/88/07/25/849880725.db2.gz VCFRAMMZIFMWPF-JHJVBQTASA-N 2 2 287.379 0.256 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@@H+]2CCCF)O1 ZINC001038401469 849880733 /nfs/dbraw/zinc/88/07/33/849880733.db2.gz VCFRAMMZIFMWPF-JHJVBQTASA-N 2 2 287.379 0.256 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@H+]2CCCF)O1 ZINC001038401469 849880742 /nfs/dbraw/zinc/88/07/42/849880742.db2.gz VCFRAMMZIFMWPF-JHJVBQTASA-N 2 2 287.379 0.256 20 0 CCADLP COCC[N@@H+]1CC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001038935361 850093929 /nfs/dbraw/zinc/09/39/29/850093929.db2.gz NDBZPEWBZOFRDL-LBPRGKRZSA-N 2 2 292.383 0.598 20 0 CCADLP COCC[N@H+]1CC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001038935361 850093931 /nfs/dbraw/zinc/09/39/31/850093931.db2.gz NDBZPEWBZOFRDL-LBPRGKRZSA-N 2 2 292.383 0.598 20 0 CCADLP Cc1oncc1C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039028056 850126047 /nfs/dbraw/zinc/12/60/47/850126047.db2.gz MFEUWQRYPOBGFG-GXTWGEPZSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1oncc1C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001039028056 850126051 /nfs/dbraw/zinc/12/60/51/850126051.db2.gz MFEUWQRYPOBGFG-GXTWGEPZSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1oncc1C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039028056 850126055 /nfs/dbraw/zinc/12/60/55/850126055.db2.gz MFEUWQRYPOBGFG-GXTWGEPZSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1oncc1C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039028056 850126057 /nfs/dbraw/zinc/12/60/57/850126057.db2.gz MFEUWQRYPOBGFG-GXTWGEPZSA-N 2 2 292.383 0.625 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041714299 850488638 /nfs/dbraw/zinc/48/86/38/850488638.db2.gz PHUBEXGAQRYRCI-SWLSCSKDSA-N 2 2 292.383 0.257 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041714299 850488644 /nfs/dbraw/zinc/48/86/44/850488644.db2.gz PHUBEXGAQRYRCI-SWLSCSKDSA-N 2 2 292.383 0.257 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001041807811 850507820 /nfs/dbraw/zinc/50/78/20/850507820.db2.gz SKGAIAFQKUQCLW-HNNXBMFYSA-N 2 2 292.383 0.177 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001041807811 850507830 /nfs/dbraw/zinc/50/78/30/850507830.db2.gz SKGAIAFQKUQCLW-HNNXBMFYSA-N 2 2 292.383 0.177 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@@H]2CC[N@@H+](CCO)[C@@H]2C1 ZINC001042034371 850565092 /nfs/dbraw/zinc/56/50/92/850565092.db2.gz IURRZYQIWXWALK-QWHCGFSZSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@@H]2CC[N@H+](CCO)[C@@H]2C1 ZINC001042034371 850565100 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ZINC001072828652 854475103 /nfs/dbraw/zinc/47/51/03/854475103.db2.gz KYIRVURMCZMYGZ-VXGBXAGGSA-N 2 2 290.367 0.040 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001072828652 854475106 /nfs/dbraw/zinc/47/51/06/854475106.db2.gz KYIRVURMCZMYGZ-VXGBXAGGSA-N 2 2 290.367 0.040 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001072828652 854475110 /nfs/dbraw/zinc/47/51/10/854475110.db2.gz KYIRVURMCZMYGZ-VXGBXAGGSA-N 2 2 290.367 0.040 20 0 CCADLP CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001073647323 854624465 /nfs/dbraw/zinc/62/44/65/854624465.db2.gz IOJDSKVWZYDCEB-JHJVBQTASA-N 2 2 292.383 0.740 20 0 CCADLP CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001073647323 854624468 /nfs/dbraw/zinc/62/44/68/854624468.db2.gz IOJDSKVWZYDCEB-JHJVBQTASA-N 2 2 292.383 0.740 20 0 CCADLP CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001073647323 854624470 /nfs/dbraw/zinc/62/44/70/854624470.db2.gz IOJDSKVWZYDCEB-JHJVBQTASA-N 2 2 292.383 0.740 20 0 CCADLP CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001073647323 854624473 /nfs/dbraw/zinc/62/44/73/854624473.db2.gz IOJDSKVWZYDCEB-JHJVBQTASA-N 2 2 292.383 0.740 20 0 CCADLP CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001074327579 854711816 /nfs/dbraw/zinc/71/18/16/854711816.db2.gz VYRRINUYYZAXMK-LSDHHAIUSA-N 2 2 295.427 0.650 20 0 CCADLP CC[N@H+]1CCO[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001074327579 854711824 /nfs/dbraw/zinc/71/18/24/854711824.db2.gz VYRRINUYYZAXMK-LSDHHAIUSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CC2CC2)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001074581718 854753243 /nfs/dbraw/zinc/75/32/43/854753243.db2.gz KYNWSTUSNJGKNX-UBHSHLNASA-N 2 2 281.400 0.306 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CC2CC2)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001074581718 854753247 /nfs/dbraw/zinc/75/32/47/854753247.db2.gz KYNWSTUSNJGKNX-UBHSHLNASA-N 2 2 281.400 0.306 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]C[C@H](C)O)[C@@H]1C ZINC001075072885 854811251 /nfs/dbraw/zinc/81/12/51/854811251.db2.gz GDQMFAHMXMUPBD-DLOVCJGASA-N 2 2 280.372 0.220 20 0 CCADLP CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1 ZINC001099184329 854921320 /nfs/dbraw/zinc/92/13/20/854921320.db2.gz KDVWFABOYMYUSX-JSGCOSHPSA-N 2 2 262.357 0.874 20 0 CCADLP CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1 ZINC001099184329 854921324 /nfs/dbraw/zinc/92/13/24/854921324.db2.gz KDVWFABOYMYUSX-JSGCOSHPSA-N 2 2 262.357 0.874 20 0 CCADLP C[C@@H](O)CCC[NH2+]C1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001100710444 855212867 /nfs/dbraw/zinc/21/28/67/855212867.db2.gz RTYKMYIKLYMKBO-PNESKVBLSA-N 2 2 294.399 0.598 20 0 CCADLP C[C@@H](O)CCC[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001101071447 855258849 /nfs/dbraw/zinc/25/88/49/855258849.db2.gz ISJDRWWXIGEHHC-IYXRBSQSSA-N 2 2 294.399 0.529 20 0 CCADLP C[C@@H]1C[N@H+](CCF)C[C@H]1CCNC(=O)Cn1cc[nH+]c1 ZINC001103779159 855529426 /nfs/dbraw/zinc/52/94/26/855529426.db2.gz PAINUDHZEDQTCU-CHWSQXEVSA-N 2 2 282.363 0.927 20 0 CCADLP C[C@@H]1C[N@@H+](CCF)C[C@H]1CCNC(=O)Cn1cc[nH+]c1 ZINC001103779159 855529433 /nfs/dbraw/zinc/52/94/33/855529433.db2.gz PAINUDHZEDQTCU-CHWSQXEVSA-N 2 2 282.363 0.927 20 0 CCADLP COC1(OC)CCOC[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000698382591 855623841 /nfs/dbraw/zinc/62/38/41/855623841.db2.gz XIGNVAAKJGJACS-QWHCGFSZSA-N 2 2 272.389 0.838 20 0 CCADLP COC1(OC)CCOC[C@H]1[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000698382591 855623844 /nfs/dbraw/zinc/62/38/44/855623844.db2.gz XIGNVAAKJGJACS-QWHCGFSZSA-N 2 2 272.389 0.838 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@@H](C)n2cc[nH+]c2)C[C@@H]1C ZINC001116370928 855755286 /nfs/dbraw/zinc/75/52/86/855755286.db2.gz RLUDVKVHMFENTQ-NWDGAFQWSA-N 2 2 250.346 0.997 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@@H](C)n2cc[nH+]c2)C[C@@H]1C ZINC001116370928 855755288 /nfs/dbraw/zinc/75/52/88/855755288.db2.gz RLUDVKVHMFENTQ-NWDGAFQWSA-N 2 2 250.346 0.997 20 0 CCADLP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(=O)[nH]n1 ZINC001116833372 855842286 /nfs/dbraw/zinc/84/22/86/855842286.db2.gz XJUJETCWAMXPHL-NSHDSACASA-N 2 2 280.372 0.680 20 0 CCADLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc[nH]n2)CC1 ZINC001118500367 856319820 /nfs/dbraw/zinc/31/98/20/856319820.db2.gz GUDMQTYRFCRZJZ-UHFFFAOYSA-N 2 2 265.405 0.915 20 0 CCADLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccn[nH]2)CC1 ZINC001118500367 856319833 /nfs/dbraw/zinc/31/98/33/856319833.db2.gz GUDMQTYRFCRZJZ-UHFFFAOYSA-N 2 2 265.405 0.915 20 0 CCADLP Cc1[nH+]cc(C[N@@H+]2CCc3n[nH]c(=O)cc3C2)n1C ZINC001118639159 856376211 /nfs/dbraw/zinc/37/62/11/856376211.db2.gz LOXPYYWPBRKPOP-UHFFFAOYSA-N 2 2 259.313 0.782 20 0 CCADLP Cc1[nH+]cc(C[N@H+]2CCc3n[nH]c(=O)cc3C2)n1C ZINC001118639159 856376216 /nfs/dbraw/zinc/37/62/16/856376216.db2.gz LOXPYYWPBRKPOP-UHFFFAOYSA-N 2 2 259.313 0.782 20 0 CCADLP C[C@@H]1CN(C(=O)NCc2c[nH+]cn2C)CC[C@H]1[NH3+] ZINC001119482893 856701519 /nfs/dbraw/zinc/70/15/19/856701519.db2.gz MPPFHZHZTFRTEV-MWLCHTKSSA-N 2 2 251.334 0.299 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1([NH2+]CC[C@@H]2CCCO2)CC1 ZINC001392961296 912286813 /nfs/dbraw/zinc/28/68/13/912286813.db2.gz CABBUGMHWVZWDU-ZDUSSCGKSA-N 2 2 292.383 0.691 20 0 CCADLP CC(=O)NCC[NH+]1CCC([NH2+]CCn2cccn2)CC1 ZINC001393416324 912559535 /nfs/dbraw/zinc/55/95/35/912559535.db2.gz KMXZLJKGTXHRRE-UHFFFAOYSA-N 2 2 279.388 0.073 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001324089191 912661588 /nfs/dbraw/zinc/66/15/88/912661588.db2.gz NGEQQERDDURGJG-OLZOCXBDSA-N 2 2 294.399 0.578 20 0 CCADLP CC[N@H+](C)CCCN(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001393639550 912696852 /nfs/dbraw/zinc/69/68/52/912696852.db2.gz YTENXVMRDHJIOI-UHFFFAOYSA-N 2 2 285.432 0.897 20 0 CCADLP CC[N@@H+](C)CCCN(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001393639550 912696855 /nfs/dbraw/zinc/69/68/55/912696855.db2.gz YTENXVMRDHJIOI-UHFFFAOYSA-N 2 2 285.432 0.897 20 0 CCADLP CC[C@H](C(=O)N[C@@H](C)C1C[NH+](CC(N)=O)C1)[NH+](CC)CC ZINC001394257120 913104458 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ZINC001481693698 893023088 /nfs/dbraw/zinc/02/30/88/893023088.db2.gz JTEQBSWWSYAQEJ-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP COCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001481693698 893023104 /nfs/dbraw/zinc/02/31/04/893023104.db2.gz JTEQBSWWSYAQEJ-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP COCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001481693698 893023123 /nfs/dbraw/zinc/02/31/23/893023123.db2.gz JTEQBSWWSYAQEJ-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]C[C@@H]1CCCOC1 ZINC001481886041 893245707 /nfs/dbraw/zinc/24/57/07/893245707.db2.gz YWWHOUVTHOJKLV-KBPBESRZSA-N 2 2 294.399 0.794 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001362099650 893509700 /nfs/dbraw/zinc/50/97/00/893509700.db2.gz NIXNPQABFKNHEG-MCIONIFRSA-N 2 2 281.400 0.138 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001362099650 893509711 /nfs/dbraw/zinc/50/97/11/893509711.db2.gz NIXNPQABFKNHEG-MCIONIFRSA-N 2 2 281.400 0.138 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CC[NH+](C)[C@@H](CO)C2)C1 ZINC001363511185 893762643 /nfs/dbraw/zinc/76/26/43/893762643.db2.gz RIZLXXYYKMLHOZ-UONOGXRCSA-N 2 2 283.416 0.242 20 0 CCADLP CC(C)[N@H+]1CCC[C@H](C(=O)N2CC[NH+](C)[C@@H](CO)C2)C1 ZINC001363511185 893762653 /nfs/dbraw/zinc/76/26/53/893762653.db2.gz RIZLXXYYKMLHOZ-UONOGXRCSA-N 2 2 283.416 0.242 20 0 CCADLP CC(C)[NH+]1CCC[C@H](C(=O)N2CC[N@H+](C)[C@@H](CO)C2)C1 ZINC001363511185 893762662 /nfs/dbraw/zinc/76/26/62/893762662.db2.gz RIZLXXYYKMLHOZ-UONOGXRCSA-N 2 2 283.416 0.242 20 0 CCADLP CC(C)[NH+]1CCC[C@H](C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)C1 ZINC001363511185 893762675 /nfs/dbraw/zinc/76/26/75/893762675.db2.gz RIZLXXYYKMLHOZ-UONOGXRCSA-N 2 2 283.416 0.242 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnns1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001482335616 893882662 /nfs/dbraw/zinc/88/26/62/893882662.db2.gz NPDLRCXMLKPUTN-VIFPVBQESA-N 2 2 294.384 0.440 20 0 CCADLP Cc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)Cn2cc[nH+]c2)on1 ZINC001482371975 893928021 /nfs/dbraw/zinc/92/80/21/893928021.db2.gz BQVONOSLARSFOE-GFCCVEGCSA-N 2 2 291.355 0.816 20 0 CCADLP C[C@@H](O)C[N@H+](C)CCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001482613442 894408976 /nfs/dbraw/zinc/40/89/76/894408976.db2.gz HDEXXJMQDWUCHC-GFCCVEGCSA-N 2 2 290.367 0.719 20 0 CCADLP C[C@@H](O)C[N@@H+](C)CCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001482613442 894408985 /nfs/dbraw/zinc/40/89/85/894408985.db2.gz HDEXXJMQDWUCHC-GFCCVEGCSA-N 2 2 290.367 0.719 20 0 CCADLP CCN(CC[NH2+]CC[C@H]1CCCO1)C(=O)Cc1c[nH+]c[nH]1 ZINC001482952418 894720601 /nfs/dbraw/zinc/72/06/01/894720601.db2.gz JSMMDVLPLYLGAP-CQSZACIVSA-N 2 2 294.399 0.959 20 0 CCADLP C[C@H](C[NH2+]CCCF)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001483143592 895023697 /nfs/dbraw/zinc/02/36/97/895023697.db2.gz FPWRRLDFNHCZNQ-NEPJUHHUSA-N 2 2 282.363 0.899 20 0 CCADLP C[C@H](C[NH2+]Cc1csnn1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001483161322 895043087 /nfs/dbraw/zinc/04/30/87/895043087.db2.gz CGHCJJZOOOWYJK-SNVBAGLBSA-N 2 2 297.428 0.474 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001483170955 895054403 /nfs/dbraw/zinc/05/44/03/895054403.db2.gz ZNVMAGQGSJFQDC-NXEZZACHSA-N 2 2 254.334 0.081 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1csnn1 ZINC001409450703 895188122 /nfs/dbraw/zinc/18/81/22/895188122.db2.gz VWBHYIGJBRXKOU-MNOVXSKESA-N 2 2 299.444 0.863 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1csnn1 ZINC001409450703 895188133 /nfs/dbraw/zinc/18/81/33/895188133.db2.gz VWBHYIGJBRXKOU-MNOVXSKESA-N 2 2 299.444 0.863 20 0 CCADLP CO[C@H](C)C[N@H+](C)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001409644364 895303895 /nfs/dbraw/zinc/30/38/95/895303895.db2.gz VPDQYORRPDUCDC-CHWSQXEVSA-N 2 2 296.415 0.824 20 0 CCADLP CO[C@H](C)C[N@@H+](C)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001409644364 895303912 /nfs/dbraw/zinc/30/39/12/895303912.db2.gz VPDQYORRPDUCDC-CHWSQXEVSA-N 2 2 296.415 0.824 20 0 CCADLP C[C@@H](C[NH2+]CCc1ccns1)NC(=O)Cn1cc[nH+]c1 ZINC001483299989 895419723 /nfs/dbraw/zinc/41/97/23/895419723.db2.gz MHMYPFXSGZLIOZ-NSHDSACASA-N 2 2 293.396 0.677 20 0 CCADLP CC[NH2+]C[C@@H](NC(=O)CCc1[nH+]ccn1C)C1CC1 ZINC001483576654 895658200 /nfs/dbraw/zinc/65/82/00/895658200.db2.gz HQOBFPUVQAWULC-GFCCVEGCSA-N 2 2 264.373 0.857 20 0 CCADLP Cc1cnc(C[NH2+]CCN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)o1 ZINC001493695758 895953155 /nfs/dbraw/zinc/95/31/55/895953155.db2.gz VDWOPMYZUHXIBG-GFCCVEGCSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1cnc(C[NH2+]CCN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)o1 ZINC001493695758 895953162 /nfs/dbraw/zinc/95/31/62/895953162.db2.gz VDWOPMYZUHXIBG-GFCCVEGCSA-N 2 2 294.399 0.873 20 0 CCADLP CN(CCC[NH+](C)C)C(=O)CCc1[nH+]ccn1C ZINC001521301882 896362058 /nfs/dbraw/zinc/36/20/58/896362058.db2.gz NBMACMSQFRLOJV-UHFFFAOYSA-N 2 2 252.362 0.763 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@](CO)([NH2+]CC2CC2)C1 ZINC001484852318 896630784 /nfs/dbraw/zinc/63/07/84/896630784.db2.gz VZBVKJLZVUSMDP-OAHLLOKOSA-N 2 2 292.383 0.305 20 0 CCADLP CC(C)OCC[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001485202191 896845694 /nfs/dbraw/zinc/84/56/94/896845694.db2.gz PDBQHYRJPVUARP-NWDGAFQWSA-N 2 2 282.388 0.860 20 0 CCADLP CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001485323405 896958810 /nfs/dbraw/zinc/95/88/10/896958810.db2.gz SRERCLOPKSQWGE-RYUDHWBXSA-N 2 2 264.373 0.902 20 0 CCADLP CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001485323405 896958819 /nfs/dbraw/zinc/95/88/19/896958819.db2.gz SRERCLOPKSQWGE-RYUDHWBXSA-N 2 2 264.373 0.902 20 0 CCADLP C[C@H](NC(=O)Cc1c[nH+]cn1C)C1C[NH+](CCCF)C1 ZINC001485533732 897113382 /nfs/dbraw/zinc/11/33/82/897113382.db2.gz SXJHLYBLSXHTLA-NSHDSACASA-N 2 2 282.363 0.759 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1cnsn1)[NH+](C)C ZINC001366327998 897259668 /nfs/dbraw/zinc/25/96/68/897259668.db2.gz ROQFQOSMCYZPRE-KOLCDFICSA-N 2 2 285.417 0.473 20 0 CCADLP O=C([C@@H]1CCCc2[nH+]ccn21)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001032444855 897583572 /nfs/dbraw/zinc/58/35/72/897583572.db2.gz PJGOPOKGSHQMAI-AVGNSLFASA-N 2 2 290.367 0.038 20 0 CCADLP O=C([C@@H]1CCCc2[nH+]ccn21)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001032444855 897583585 /nfs/dbraw/zinc/58/35/85/897583585.db2.gz PJGOPOKGSHQMAI-AVGNSLFASA-N 2 2 290.367 0.038 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001048395495 897728337 /nfs/dbraw/zinc/72/83/37/897728337.db2.gz BTAZIKNBVHBFGI-WDEREUQCSA-N 2 2 250.346 0.656 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCc1[nH+]ccn1C ZINC000094647977 897849077 /nfs/dbraw/zinc/84/90/77/897849077.db2.gz AYFQVXXEMQAOBW-WDEREUQCSA-N 2 2 250.346 0.467 20 0 CCADLP CO[C@@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC001032651485 897896770 /nfs/dbraw/zinc/89/67/70/897896770.db2.gz ACDDXJHVPWTKSB-DRZSPHRISA-N 2 2 278.356 0.272 20 0 CCADLP CO[C@@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC001032651485 897896781 /nfs/dbraw/zinc/89/67/81/897896781.db2.gz ACDDXJHVPWTKSB-DRZSPHRISA-N 2 2 278.356 0.272 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH+]cn1C ZINC001032759192 898117440 /nfs/dbraw/zinc/11/74/40/898117440.db2.gz BLPQASOUICSJIZ-UBHSHLNASA-N 2 2 292.383 0.019 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH+]cn1C ZINC001032759192 898117452 /nfs/dbraw/zinc/11/74/52/898117452.db2.gz BLPQASOUICSJIZ-UBHSHLNASA-N 2 2 292.383 0.019 20 0 CCADLP CC(C)[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCCO1 ZINC001078492224 898395068 /nfs/dbraw/zinc/39/50/68/898395068.db2.gz JUQVZJUPPRWMPH-GFCCVEGCSA-N 2 2 280.372 0.568 20 0 CCADLP C[C@@H]1[C@H]([NH2+]CCCF)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001486091552 898650081 /nfs/dbraw/zinc/65/00/81/898650081.db2.gz URNDRFMEUHXIJC-GHMZBOCLSA-N 2 2 268.336 0.891 20 0 CCADLP CC(C)=CC[NH2+]C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001486307157 898771124 /nfs/dbraw/zinc/77/11/24/898771124.db2.gz MVKUKFWAGFDVCD-LBPRGKRZSA-N 2 2 280.372 0.327 20 0 CCADLP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1nc(C)no1)[NH+](C)C ZINC001410393596 899387099 /nfs/dbraw/zinc/38/70/99/899387099.db2.gz MNQUSQSTMHOEAG-ZYHUDNBSSA-N 2 2 297.403 0.655 20 0 CCADLP C[C@@H](CCCC[NH2+]CCO)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001175643744 899967956 /nfs/dbraw/zinc/96/79/56/899967956.db2.gz GDVHZBYMSWEHLU-STQMWFEESA-N 2 2 296.415 0.845 20 0 CCADLP C[C@@H](CCCC[NH2+]CCO)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001175643744 899967963 /nfs/dbraw/zinc/96/79/63/899967963.db2.gz GDVHZBYMSWEHLU-STQMWFEESA-N 2 2 296.415 0.845 20 0 CCADLP C[C@H](C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)n1cc[nH+]c1 ZINC001327196799 914412255 /nfs/dbraw/zinc/41/22/55/914412255.db2.gz WULLXOYGLKKORU-UTUOFQBUSA-N 2 2 250.346 0.887 20 0 CCADLP COCC[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001488688241 900344536 /nfs/dbraw/zinc/34/45/36/900344536.db2.gz WNDOLHVSWCOQGY-GFCCVEGCSA-N 2 2 280.372 0.440 20 0 CCADLP COCC[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001488688241 900344549 /nfs/dbraw/zinc/34/45/49/900344549.db2.gz WNDOLHVSWCOQGY-GFCCVEGCSA-N 2 2 280.372 0.440 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@@H]1C[NH2+]CCCO ZINC001319076932 900870711 /nfs/dbraw/zinc/87/07/11/900870711.db2.gz BZPSWWJFPDRRSI-CYBMUJFWSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@@H]1C[NH2+]CCCO ZINC001319076932 900870721 /nfs/dbraw/zinc/87/07/21/900870721.db2.gz BZPSWWJFPDRRSI-CYBMUJFWSA-N 2 2 280.372 0.305 20 0 CCADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001412378685 901675177 /nfs/dbraw/zinc/67/51/77/901675177.db2.gz ZCUZAMHZIUIODO-UPJWGTAASA-N 2 2 294.399 0.690 20 0 CCADLP C[C@H]([C@H](C)O)[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001413051128 902587531 /nfs/dbraw/zinc/58/75/31/902587531.db2.gz VAGCQGAOODEIGS-OLZOCXBDSA-N 2 2 283.416 0.562 20 0 CCADLP C[C@@H](C(=O)N[C@@H](CC[NH3+])C(F)(F)F)n1cc[nH+]c1 ZINC001329572005 903810986 /nfs/dbraw/zinc/81/09/86/903810986.db2.gz ZIGUDYPXCJFOJJ-YUMQZZPRSA-N 2 2 264.251 0.840 20 0 CCADLP CCn1cc(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cn1 ZINC001329596864 903813675 /nfs/dbraw/zinc/81/36/75/903813675.db2.gz RXIRHSFIQQSECB-UHFFFAOYSA-N 2 2 262.317 0.147 20 0 CCADLP CC(=O)Oc1ccc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235050471 903968227 /nfs/dbraw/zinc/96/82/27/903968227.db2.gz DNZXRZUCGPUZBV-INIZCTEOSA-N 2 2 289.379 0.749 20 0 CCADLP CC(=O)Oc1ccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235050471 903968238 /nfs/dbraw/zinc/96/82/38/903968238.db2.gz DNZXRZUCGPUZBV-INIZCTEOSA-N 2 2 289.379 0.749 20 0 CCADLP COCc1cc(C[NH2+]CCc2c[nH+]cn2C)no1 ZINC001331934543 904032911 /nfs/dbraw/zinc/03/29/11/904032911.db2.gz YJMSNPYKFRJCOB-UHFFFAOYSA-N 2 2 250.302 0.887 20 0 CCADLP [NH3+][C@@H](C(=O)N1CC[NH+](CCO)CC1)C1CCCCC1 ZINC001332451052 904116079 /nfs/dbraw/zinc/11/60/79/904116079.db2.gz QHXDTMDYGBGQBX-CYBMUJFWSA-N 2 2 269.389 0.031 20 0 CCADLP CN(C[C@H]1CC[N@H+]1CC1CC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001316605381 904139462 /nfs/dbraw/zinc/13/94/62/904139462.db2.gz XBWZWCSQIQWECJ-CYBMUJFWSA-N 2 2 262.357 0.895 20 0 CCADLP CN(C[C@H]1CC[N@@H+]1CC1CC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001316605381 904139450 /nfs/dbraw/zinc/13/94/50/904139450.db2.gz XBWZWCSQIQWECJ-CYBMUJFWSA-N 2 2 262.357 0.895 20 0 CCADLP CN(CC(C)(C)C[NH2+]CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001282325524 904445619 /nfs/dbraw/zinc/44/56/19/904445619.db2.gz INKHJBMUZHEYAB-UHFFFAOYSA-N 2 2 268.361 0.019 20 0 CCADLP CC[N@H+](CCNC(=O)CC[NH+](C)C)Cc1cc(C)n(C)n1 ZINC001377335543 904789264 /nfs/dbraw/zinc/78/92/64/904789264.db2.gz BQQRIJAEYRXMLY-UHFFFAOYSA-N 2 2 295.431 0.618 20 0 CCADLP CC[N@@H+](CCNC(=O)CC[NH+](C)C)Cc1cc(C)n(C)n1 ZINC001377335543 904789270 /nfs/dbraw/zinc/78/92/70/904789270.db2.gz BQQRIJAEYRXMLY-UHFFFAOYSA-N 2 2 295.431 0.618 20 0 CCADLP CC(C)=CC[NH2+][C@@H](CO)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001283814426 905030930 /nfs/dbraw/zinc/03/09/30/905030930.db2.gz WDMNSHORCBHGBL-UONOGXRCSA-N 2 2 294.399 0.867 20 0 CCADLP C[C@H](O)C[N@H+](C)C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001377672420 905085172 /nfs/dbraw/zinc/08/51/72/905085172.db2.gz HBBBVYOORVGYJB-STQMWFEESA-N 2 2 280.372 0.187 20 0 CCADLP C[C@H](O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001377672420 905085189 /nfs/dbraw/zinc/08/51/89/905085189.db2.gz HBBBVYOORVGYJB-STQMWFEESA-N 2 2 280.372 0.187 20 0 CCADLP CC[C@@H](C[NH2+]CC1CC(NC(=O)Cc2[nH]cc[nH+]2)C1)OC ZINC001377728433 905116060 /nfs/dbraw/zinc/11/60/60/905116060.db2.gz SSVKMDGZDCLXIS-BPCQOVAHSA-N 2 2 294.399 0.862 20 0 CCADLP CC[N@H+](C)CCC(=O)NCC1C[NH+](Cc2cnc(C)o2)C1 ZINC001378005080 905323033 /nfs/dbraw/zinc/32/30/33/905323033.db2.gz FYRZXEYMKHZFLY-UHFFFAOYSA-N 2 2 294.399 0.873 20 0 CCADLP CC[N@@H+](C)CCC(=O)NCC1C[NH+](Cc2cnc(C)o2)C1 ZINC001378005080 905323052 /nfs/dbraw/zinc/32/30/52/905323052.db2.gz FYRZXEYMKHZFLY-UHFFFAOYSA-N 2 2 294.399 0.873 20 0 CCADLP C[C@@H](NC(=O)NCC[NH+]1CCC([NH3+])CC1)C1(C)CC1 ZINC001337023619 921159436 /nfs/dbraw/zinc/15/94/36/921159436.db2.gz CUCAFOBJHKTMJK-LLVKDONJSA-N 2 2 268.405 0.897 20 0 CCADLP C[C@H](O)C[NH2+]CC1(NC(=O)CCn2cc[nH+]c2)CCCC1 ZINC001378351318 905604887 /nfs/dbraw/zinc/60/48/87/905604887.db2.gz FEFAOENXONLUCY-ZDUSSCGKSA-N 2 2 294.399 0.673 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H](CNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001379008821 905924625 /nfs/dbraw/zinc/92/46/25/905924625.db2.gz LBKIMQFNCJQSHL-NWDGAFQWSA-N 2 2 282.388 0.718 20 0 CCADLP Cc1ncc(C[NH2+][C@@H](C)CN(C)C(=O)Cc2c[nH+]c[nH]2)o1 ZINC001379246951 906088189 /nfs/dbraw/zinc/08/81/89/906088189.db2.gz ZVQVMICOQVOEMW-JTQLQIEISA-N 2 2 291.355 0.885 20 0 CCADLP C[C@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+]C[C@H]1CCOC1 ZINC001379279043 906108841 /nfs/dbraw/zinc/10/88/41/906108841.db2.gz SFYOZNIVRXVDIO-CHWSQXEVSA-N 2 2 294.399 0.436 20 0 CCADLP CNC(=O)C[NH2+]C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001379518766 906319759 /nfs/dbraw/zinc/31/97/59/906319759.db2.gz RJKNGZHTKHYDIS-VIFPVBQESA-N 2 2 289.339 0.017 20 0 CCADLP C[C@@H](C[N@H+](C)CC[C@@H]1CCOC1)NC(=O)Cn1cc[nH+]c1 ZINC001379812793 906489809 /nfs/dbraw/zinc/48/98/09/906489809.db2.gz XIUZHNHWQDOOST-UONOGXRCSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@@H](C[N@@H+](C)CC[C@@H]1CCOC1)NC(=O)Cn1cc[nH+]c1 ZINC001379812793 906489817 /nfs/dbraw/zinc/48/98/17/906489817.db2.gz XIUZHNHWQDOOST-UONOGXRCSA-N 2 2 294.399 0.746 20 0 CCADLP CC[C@@H](F)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001379852395 906509456 /nfs/dbraw/zinc/50/94/56/906509456.db2.gz LMDZQUSPIYJRDT-MNOVXSKESA-N 2 2 286.351 0.109 20 0 CCADLP C[C@H](CC[NH+]1CCN(C)CC1)Nc1cc[nH+]c(N)n1 ZINC001337938454 921304471 /nfs/dbraw/zinc/30/44/71/921304471.db2.gz GKNHWHKININQBP-LLVKDONJSA-N 2 2 264.377 0.497 20 0 CCADLP C[C@H](CCN1CC[NH+](C)CC1)Nc1cc[nH+]c(N)n1 ZINC001337938454 921304474 /nfs/dbraw/zinc/30/44/74/921304474.db2.gz GKNHWHKININQBP-LLVKDONJSA-N 2 2 264.377 0.497 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@H+](C)CC[C@@H]1CCCO1 ZINC001381593357 907316238 /nfs/dbraw/zinc/31/62/38/907316238.db2.gz ZGZYHAFCXUOVMJ-OCCSQVGLSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@@H+](C)CC[C@@H]1CCCO1 ZINC001381593357 907316251 /nfs/dbraw/zinc/31/62/51/907316251.db2.gz ZGZYHAFCXUOVMJ-OCCSQVGLSA-N 2 2 294.399 0.958 20 0 CCADLP Cc1nn(C)cc1C[NH2+][C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001491590748 907427999 /nfs/dbraw/zinc/42/79/99/907427999.db2.gz QIGODVZDYGAZLP-JTQLQIEISA-N 2 2 290.371 0.289 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](C)[NH2+]CCF ZINC001491603822 907487569 /nfs/dbraw/zinc/48/75/69/907487569.db2.gz AAYFCAWRRQHAKN-ZJUUUORDSA-N 2 2 256.325 0.652 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](C)[NH2+]CCF ZINC001491603822 907487582 /nfs/dbraw/zinc/48/75/82/907487582.db2.gz AAYFCAWRRQHAKN-ZJUUUORDSA-N 2 2 256.325 0.652 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001382041555 907502085 /nfs/dbraw/zinc/50/20/85/907502085.db2.gz PDXZIQKGZJVQCV-OCCSQVGLSA-N 2 2 294.399 0.745 20 0 CCADLP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ncccn1)[NH+](C)C ZINC001382091153 907543379 /nfs/dbraw/zinc/54/33/79/907543379.db2.gz UIPHORHZZVLFCM-QWHCGFSZSA-N 2 2 293.415 0.753 20 0 CCADLP CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001492047468 907680951 /nfs/dbraw/zinc/68/09/51/907680951.db2.gz RECRALAULGRRHR-RYUDHWBXSA-N 2 2 264.373 0.950 20 0 CCADLP C[C@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1nccn1C ZINC001492102279 907704878 /nfs/dbraw/zinc/70/48/78/907704878.db2.gz VZMDZUUCCOOZPK-LLVKDONJSA-N 2 2 290.371 0.370 20 0 CCADLP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]C[C@@H]1CCCOC1 ZINC001492133462 907734118 /nfs/dbraw/zinc/73/41/18/907734118.db2.gz WGYMEOABAXLUBI-KGLIPLIRSA-N 2 2 294.399 0.794 20 0 CCADLP CC(C)C[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001382470404 907759737 /nfs/dbraw/zinc/75/97/37/907759737.db2.gz NJYFFRLKIMYSNC-ZDUSSCGKSA-N 2 2 282.388 0.359 20 0 CCADLP CC(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001382470404 907759743 /nfs/dbraw/zinc/75/97/43/907759743.db2.gz NJYFFRLKIMYSNC-ZDUSSCGKSA-N 2 2 282.388 0.359 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CCOC1CCC1 ZINC001317282072 908030880 /nfs/dbraw/zinc/03/08/80/908030880.db2.gz GRHUTPGZCHAGET-GFCCVEGCSA-N 2 2 294.399 0.626 20 0 CCADLP Cc1[nH]c(CNC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)c(C)[nH+]1 ZINC001303892748 908123385 /nfs/dbraw/zinc/12/33/85/908123385.db2.gz UGLXXWUXILNWSP-ZWNOBZJWSA-N 2 2 266.345 0.098 20 0 CCADLP Cc1[nH]c(CNC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)c(C)[nH+]1 ZINC001303892748 908123395 /nfs/dbraw/zinc/12/33/95/908123395.db2.gz UGLXXWUXILNWSP-ZWNOBZJWSA-N 2 2 266.345 0.098 20 0 CCADLP CCn1ncc(C[NH2+]CCCN2CC[NH+](C)CC2)n1 ZINC001308186419 908393997 /nfs/dbraw/zinc/39/39/97/908393997.db2.gz YTZFFNDQZDRXSF-UHFFFAOYSA-N 2 2 266.393 0.025 20 0 CCADLP Cn1cc([C@H](CO)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC001308360804 908411514 /nfs/dbraw/zinc/41/15/14/908411514.db2.gz PNHGRFXSJBZCBV-RDBSUJKOSA-N 2 2 264.373 0.670 20 0 CCADLP Cn1cc([C@H](CO)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC001308360804 908411521 /nfs/dbraw/zinc/41/15/21/908411521.db2.gz PNHGRFXSJBZCBV-RDBSUJKOSA-N 2 2 264.373 0.670 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[N@@H+](CCCF)C1 ZINC001317534577 908614099 /nfs/dbraw/zinc/61/40/99/908614099.db2.gz SJFDBWVSYYLNAM-LLVKDONJSA-N 2 2 268.336 0.750 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[N@H+](CCCF)C1 ZINC001317534577 908614101 /nfs/dbraw/zinc/61/41/01/908614101.db2.gz SJFDBWVSYYLNAM-LLVKDONJSA-N 2 2 268.336 0.750 20 0 CCADLP CCOCC[NH2+][C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001317065183 908954396 /nfs/dbraw/zinc/95/43/96/908954396.db2.gz WBYOGEGSYAGCLB-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP CCOCC[NH2+][C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001317065183 908954402 /nfs/dbraw/zinc/95/44/02/908954402.db2.gz WBYOGEGSYAGCLB-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001317120824 908994343 /nfs/dbraw/zinc/99/43/43/908994343.db2.gz IENVTOLUYGKAHV-RWMBFGLXSA-N 2 2 280.372 0.717 20 0 CCADLP CCOCC[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001317533541 909302654 /nfs/dbraw/zinc/30/26/54/909302654.db2.gz WIYFOCJWEBVCQL-ZDUSSCGKSA-N 2 2 294.399 0.437 20 0 CCADLP CCOCC[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001317533541 909302670 /nfs/dbraw/zinc/30/26/70/909302670.db2.gz WIYFOCJWEBVCQL-ZDUSSCGKSA-N 2 2 294.399 0.437 20 0 CCADLP Cc1nnc(C[NH2+]CCN(C)C(=O)CCC[NH+](C)C)o1 ZINC001317633583 909430834 /nfs/dbraw/zinc/43/08/34/909430834.db2.gz KXTFHALVORFVTR-UHFFFAOYSA-N 2 2 283.376 0.268 20 0 CCADLP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1nccc(C)n1)[NH+](C)C ZINC001317652678 909447572 /nfs/dbraw/zinc/44/75/72/909447572.db2.gz CLVLQJFPXZBSHZ-ZDUSSCGKSA-N 2 2 293.415 0.673 20 0 CCADLP Cc1cc(C[NH2+]CCN(C)C(=O)Cn2cc[nH+]c2)on1 ZINC001317666806 909459384 /nfs/dbraw/zinc/45/93/84/909459384.db2.gz IKCQGLZYKUXTRI-UHFFFAOYSA-N 2 2 277.328 0.428 20 0 CCADLP CC[N@H+](CCO)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001388782453 909581863 /nfs/dbraw/zinc/58/18/63/909581863.db2.gz SKHODQWOPOSNFG-CQSZACIVSA-N 2 2 294.399 0.578 20 0 CCADLP CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001388782453 909581880 /nfs/dbraw/zinc/58/18/80/909581880.db2.gz SKHODQWOPOSNFG-CQSZACIVSA-N 2 2 294.399 0.578 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001390148948 910250676 /nfs/dbraw/zinc/25/06/76/910250676.db2.gz GYUCGIBMMHVWSR-OCCSQVGLSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cnsn1 ZINC001390305955 910327779 /nfs/dbraw/zinc/32/77/79/910327779.db2.gz IVLUPOFOHLAQMI-GXSJLCMTSA-N 2 2 283.401 0.227 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1cnsn1 ZINC001390305955 910327798 /nfs/dbraw/zinc/32/77/98/910327798.db2.gz IVLUPOFOHLAQMI-GXSJLCMTSA-N 2 2 283.401 0.227 20 0 CCADLP COCC[NH2+][C@H](CNC(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001319958834 910374378 /nfs/dbraw/zinc/37/43/78/910374378.db2.gz ZAAZSHCWQRJYKO-CYBMUJFWSA-N 2 2 282.388 0.637 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+]Cc1cscn1 ZINC001390525526 910493568 /nfs/dbraw/zinc/49/35/68/910493568.db2.gz ZHVOLTRCENDKRW-SNVBAGLBSA-N 2 2 293.396 0.943 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC[C@H]1CCCCO1 ZINC001390547097 910508088 /nfs/dbraw/zinc/50/80/88/910508088.db2.gz SKRWVFSLCLQWRY-ZIAGYGMSSA-N 2 2 294.399 0.937 20 0 CCADLP CCC[NH2+]C[C@@H](O)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001320215829 910529991 /nfs/dbraw/zinc/52/99/91/910529991.db2.gz HBBZEVYKPOGJCK-CYBMUJFWSA-N 2 2 290.367 0.733 20 0 CCADLP CN(C[C@H]1CC[N@@H+]1CCCO)C(=O)CCc1c[nH+]cn1C ZINC001417746802 921588854 /nfs/dbraw/zinc/58/88/54/921588854.db2.gz OWXCIDYXTIRPHM-CQSZACIVSA-N 2 2 294.399 0.268 20 0 CCADLP CN(C[C@H]1CC[N@H+]1CCCO)C(=O)CCc1c[nH+]cn1C ZINC001417746802 921588866 /nfs/dbraw/zinc/58/88/66/921588866.db2.gz OWXCIDYXTIRPHM-CQSZACIVSA-N 2 2 294.399 0.268 20 0 CCADLP C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC[C@H]1CCOC1 ZINC001390694008 910593860 /nfs/dbraw/zinc/59/38/60/910593860.db2.gz BKPAWVSTWIQSCX-STQMWFEESA-N 2 2 294.399 0.863 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)CC[NH2+]Cc1cnon1 ZINC001320492926 910700505 /nfs/dbraw/zinc/70/05/05/910700505.db2.gz WDXWVXOATBGHPA-SNVBAGLBSA-N 2 2 292.343 0.259 20 0 CCADLP CCN(CC[NH2+]CC[C@H]1CCOC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001320854637 910905294 /nfs/dbraw/zinc/90/52/94/910905294.db2.gz OLZFNMZJLWQFRK-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001417802356 921620316 /nfs/dbraw/zinc/62/03/16/921620316.db2.gz WAVBMGSISZQNQX-DRZSPHRISA-N 2 2 294.399 0.780 20 0 CCADLP COC[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001391210336 910972332 /nfs/dbraw/zinc/97/23/32/910972332.db2.gz PNLCBVDWMQULPC-OLZOCXBDSA-N 2 2 294.399 0.528 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC/C=C/C[NH2+]CCCO)c[nH+]1 ZINC001321108927 911087498 /nfs/dbraw/zinc/08/74/98/911087498.db2.gz HCRRMISADZFOAQ-SNAWJCMRSA-N 2 2 294.399 0.571 20 0 CCADLP CCC[N@H+](C)CC(=O)NC1C[NH+](CCC[C@@H]2CCOC2)C1 ZINC001391456001 911149336 /nfs/dbraw/zinc/14/93/36/911149336.db2.gz SMCNSHCKZMXHQD-CQSZACIVSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC1C[NH+](CCC[C@@H]2CCOC2)C1 ZINC001391456001 911149350 /nfs/dbraw/zinc/14/93/50/911149350.db2.gz SMCNSHCKZMXHQD-CQSZACIVSA-N 2 2 297.443 0.945 20 0 CCADLP C[C@H](O)CCC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001391630856 911275673 /nfs/dbraw/zinc/27/56/73/911275673.db2.gz FLAWLWAMPOKRTC-UONOGXRCSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@H](O)CCC[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001391630856 911275682 /nfs/dbraw/zinc/27/56/82/911275682.db2.gz FLAWLWAMPOKRTC-UONOGXRCSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@@H](C[NH2+]C/C=C/Cl)NC(=O)Cc1[nH]cc[nH+]1 ZINC001322033281 911628681 /nfs/dbraw/zinc/62/86/81/911628681.db2.gz SKHLJCFUTYAWKE-HPOULIHZSA-N 2 2 256.737 0.799 20 0 CCADLP C[C@H](C[NH2+]Cc1csnn1)NC(=O)C1([NH+](C)C)CCC1 ZINC001392482966 911852520 /nfs/dbraw/zinc/85/25/20/911852520.db2.gz JLQVJAFESPFKHL-SNVBAGLBSA-N 2 2 297.428 0.617 20 0 CCADLP C[C@@H](C[NH2+]CC1CCOCC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001392603321 911982630 /nfs/dbraw/zinc/98/26/30/911982630.db2.gz ILBCFZZIEXKICS-NSHDSACASA-N 2 2 280.372 0.473 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+]Cc1nccs1 ZINC001399005534 914991842 /nfs/dbraw/zinc/99/18/42/914991842.db2.gz OEOOUCLAGOVXAR-SNVBAGLBSA-N 2 2 293.396 0.943 20 0 CCADLP C[C@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cncn1C ZINC001399407262 915156484 /nfs/dbraw/zinc/15/64/84/915156484.db2.gz VEKUILWTYZYWON-LLVKDONJSA-N 2 2 290.371 0.370 20 0 CCADLP C[NH2+][C@H](C)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001328646173 915331540 /nfs/dbraw/zinc/33/15/40/915331540.db2.gz LVJARVODHWIQRQ-MNOVXSKESA-N 2 2 250.346 0.560 20 0 CCADLP Cc1nnc(C[N@H+]2CC[C@@H](CNC(=O)CC[NH+](C)C)C2)o1 ZINC001399937484 915456471 /nfs/dbraw/zinc/45/64/71/915456471.db2.gz YRBMCCCXNHJVHU-LBPRGKRZSA-N 2 2 295.387 0.268 20 0 CCADLP Cc1nnc(C[N@@H+]2CC[C@@H](CNC(=O)CC[NH+](C)C)C2)o1 ZINC001399937484 915456481 /nfs/dbraw/zinc/45/64/81/915456481.db2.gz YRBMCCCXNHJVHU-LBPRGKRZSA-N 2 2 295.387 0.268 20 0 CCADLP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1nncs1 ZINC001400935637 915991912 /nfs/dbraw/zinc/99/19/12/915991912.db2.gz VUHCZNFKUQXYNF-LLVKDONJSA-N 2 2 297.428 0.618 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]CCO ZINC001401328138 916175325 /nfs/dbraw/zinc/17/53/25/916175325.db2.gz JAMUHOFTEDUZET-JSGCOSHPSA-N 2 2 294.399 0.168 20 0 CCADLP O[C@H](C[NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccn1 ZINC001329977862 916330279 /nfs/dbraw/zinc/33/02/79/916330279.db2.gz YFSLSGGLHYMIMG-WCQYABFASA-N 2 2 258.325 0.916 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001401854842 916633087 /nfs/dbraw/zinc/63/30/87/916633087.db2.gz JMLOAVUPZTUAFA-ZWNOBZJWSA-N 2 2 280.372 0.472 20 0 CCADLP COCCNC(=O)C1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC001330657446 916771425 /nfs/dbraw/zinc/77/14/25/916771425.db2.gz KNXBSLYKVQLOAY-UHFFFAOYSA-N 2 2 294.399 0.437 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001402115217 916818328 /nfs/dbraw/zinc/81/83/28/916818328.db2.gz FPXRYPURHPXKHH-CQSZACIVSA-N 2 2 294.399 0.626 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC001402115217 916818346 /nfs/dbraw/zinc/81/83/46/916818346.db2.gz FPXRYPURHPXKHH-CQSZACIVSA-N 2 2 294.399 0.626 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@]1(C)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001402154966 916842105 /nfs/dbraw/zinc/84/21/05/916842105.db2.gz GKHBXVAGLXMDFF-IUODEOHRSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@]1(C)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001402154966 916842111 /nfs/dbraw/zinc/84/21/11/916842111.db2.gz GKHBXVAGLXMDFF-IUODEOHRSA-N 2 2 294.399 0.551 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2csnn2)C1 ZINC001402465683 917039717 /nfs/dbraw/zinc/03/97/17/917039717.db2.gz NGLSAPZNOJQVSX-NSHDSACASA-N 2 2 297.428 0.569 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2csnn2)C1 ZINC001402465683 917039732 /nfs/dbraw/zinc/03/97/32/917039732.db2.gz NGLSAPZNOJQVSX-NSHDSACASA-N 2 2 297.428 0.569 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+]Cc1ccnn1C ZINC001403094931 917476313 /nfs/dbraw/zinc/47/63/13/917476313.db2.gz KNWHQTMAQXXHIE-SNVBAGLBSA-N 2 2 290.371 0.289 20 0 CCADLP CCCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001331789601 917609897 /nfs/dbraw/zinc/60/98/97/917609897.db2.gz JUNMBKNDVRILTE-JHJVBQTASA-N 2 2 294.399 0.390 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1[C@H]2C[N@H+](CCCF)C[C@H]21 ZINC001403368496 917679011 /nfs/dbraw/zinc/67/90/11/917679011.db2.gz ALVRMDZHJUBQGT-ZSOGYDGISA-N 2 2 294.374 0.996 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1[C@H]2C[N@@H+](CCCF)C[C@H]21 ZINC001403368496 917679022 /nfs/dbraw/zinc/67/90/22/917679022.db2.gz ALVRMDZHJUBQGT-ZSOGYDGISA-N 2 2 294.374 0.996 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1[C@H]2C[N@H+](CCCF)C[C@H]21 ZINC001403368496 917679040 /nfs/dbraw/zinc/67/90/40/917679040.db2.gz ALVRMDZHJUBQGT-ZSOGYDGISA-N 2 2 294.374 0.996 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1[C@H]2C[N@@H+](CCCF)C[C@H]21 ZINC001403368496 917679050 /nfs/dbraw/zinc/67/90/50/917679050.db2.gz ALVRMDZHJUBQGT-ZSOGYDGISA-N 2 2 294.374 0.996 20 0 CCADLP COCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001403422967 917707727 /nfs/dbraw/zinc/70/77/27/917707727.db2.gz RQCOJICHXWWFLY-XYYAHUGASA-N 2 2 292.383 0.201 20 0 CCADLP COCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001403422967 917707737 /nfs/dbraw/zinc/70/77/37/917707737.db2.gz RQCOJICHXWWFLY-XYYAHUGASA-N 2 2 292.383 0.201 20 0 CCADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)[C@@H](C)C(N)=O ZINC001403703213 917944701 /nfs/dbraw/zinc/94/47/01/917944701.db2.gz OGHMYGLQLXRNCP-QWHCGFSZSA-N 2 2 298.431 0.171 20 0 CCADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)[C@@H](C)C(N)=O ZINC001403703213 917944710 /nfs/dbraw/zinc/94/47/10/917944710.db2.gz OGHMYGLQLXRNCP-QWHCGFSZSA-N 2 2 298.431 0.171 20 0 CCADLP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+](C)[C@@H](C)C(N)=O ZINC001403703213 917944716 /nfs/dbraw/zinc/94/47/16/917944716.db2.gz OGHMYGLQLXRNCP-QWHCGFSZSA-N 2 2 298.431 0.171 20 0 CCADLP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+](C)[C@@H](C)C(N)=O ZINC001403703213 917944723 /nfs/dbraw/zinc/94/47/23/917944723.db2.gz OGHMYGLQLXRNCP-QWHCGFSZSA-N 2 2 298.431 0.171 20 0 CCADLP C[C@H](O)C[NH2+]C1CC(N(C)C(=O)CCc2c[nH+]cn2C)C1 ZINC001404017606 918171299 /nfs/dbraw/zinc/17/12/99/918171299.db2.gz KTECLBXZEXKJBT-DCBWTQNWSA-N 2 2 294.399 0.313 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC001404752861 918454336 /nfs/dbraw/zinc/45/43/36/918454336.db2.gz CYJFXLKXCCNJHA-ZDUSSCGKSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001404752861 918454347 /nfs/dbraw/zinc/45/43/47/918454347.db2.gz CYJFXLKXCCNJHA-ZDUSSCGKSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC001404752861 918454352 /nfs/dbraw/zinc/45/43/52/918454352.db2.gz CYJFXLKXCCNJHA-ZDUSSCGKSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001404752861 918454361 /nfs/dbraw/zinc/45/43/61/918454361.db2.gz CYJFXLKXCCNJHA-ZDUSSCGKSA-N 2 2 280.372 0.305 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H](C[NH2+]CCO)C(C)(C)C ZINC001332822130 918457792 /nfs/dbraw/zinc/45/77/92/918457792.db2.gz GWKNMQBWMRQMRC-LBPRGKRZSA-N 2 2 296.415 0.466 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001405595744 918816166 /nfs/dbraw/zinc/81/61/66/918816166.db2.gz YBUWFNOCFAQDJA-QWHCGFSZSA-N 2 2 294.399 0.578 20 0 CCADLP COC[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001405892156 918959968 /nfs/dbraw/zinc/95/99/68/918959968.db2.gz OJANZBJBDUZLJR-QWRGUYRKSA-N 2 2 282.388 0.732 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNc1cc[nH+]cc1CO ZINC001333697745 919103969 /nfs/dbraw/zinc/10/39/69/919103969.db2.gz QQPAENREFNFRHN-LLVKDONJSA-N 2 2 251.330 0.128 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNc1cc[nH+]cc1CO ZINC001333697745 919103979 /nfs/dbraw/zinc/10/39/79/919103979.db2.gz QQPAENREFNFRHN-LLVKDONJSA-N 2 2 251.330 0.128 20 0 CCADLP C[C@H](C[NH2+]Cc1cnon1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001406401088 919237154 /nfs/dbraw/zinc/23/71/54/919237154.db2.gz PZOXWSPATJMSFW-LLVKDONJSA-N 2 2 297.403 0.642 20 0 CCADLP C[C@H](C[NH2+]Cc1cnon1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001406401088 919237160 /nfs/dbraw/zinc/23/71/60/919237160.db2.gz PZOXWSPATJMSFW-LLVKDONJSA-N 2 2 297.403 0.642 20 0 CCADLP Cc1nc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)oc1C ZINC001406520969 919321931 /nfs/dbraw/zinc/32/19/31/919321931.db2.gz UCYDUHOUDYRYLV-GXFFZTMASA-N 2 2 294.399 0.980 20 0 CCADLP Cc1nc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)oc1C ZINC001406520969 919321948 /nfs/dbraw/zinc/32/19/48/919321948.db2.gz UCYDUHOUDYRYLV-GXFFZTMASA-N 2 2 294.399 0.980 20 0 CCADLP CO[C@H](C)C[N@H+](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001406699151 919436583 /nfs/dbraw/zinc/43/65/83/919436583.db2.gz QZGUORZCABAKNF-WDEREUQCSA-N 2 2 282.388 0.732 20 0 CCADLP CO[C@H](C)C[N@@H+](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001406699151 919436587 /nfs/dbraw/zinc/43/65/87/919436587.db2.gz QZGUORZCABAKNF-WDEREUQCSA-N 2 2 282.388 0.732 20 0 CCADLP Cc1nc(C[NH2+]C2(CNC(=O)C[NH+]3CCCC3)CC2)co1 ZINC001407010806 919575823 /nfs/dbraw/zinc/57/58/23/919575823.db2.gz HSYKNKLXMUNTLG-UHFFFAOYSA-N 2 2 292.383 0.817 20 0 CCADLP CC(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001407099712 919614365 /nfs/dbraw/zinc/61/43/65/919614365.db2.gz WVJKFSOHTCAQJL-ZIAGYGMSSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001407099712 919614371 /nfs/dbraw/zinc/61/43/71/919614371.db2.gz WVJKFSOHTCAQJL-ZIAGYGMSSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@H](C(=O)NC[C@H]1COCC[N@@H+]1CC)[NH+](CC)CC ZINC001407760782 919876449 /nfs/dbraw/zinc/87/64/49/919876449.db2.gz RELOFXFEUHNKNJ-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP CC[C@H](C(=O)NC[C@H]1COCC[N@H+]1CC)[NH+](CC)CC ZINC001407760782 919876462 /nfs/dbraw/zinc/87/64/62/919876462.db2.gz RELOFXFEUHNKNJ-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP CC(C)C[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001407843281 919918641 /nfs/dbraw/zinc/91/86/41/919918641.db2.gz AIALARZZQVEGKH-CQSZACIVSA-N 2 2 294.399 0.746 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N1CCOC2(C[NH+](C(C)C)C2)C1 ZINC001407957877 919969752 /nfs/dbraw/zinc/96/97/52/919969752.db2.gz FULQQCKPGZQDOM-UHFFFAOYSA-N 2 2 283.416 0.648 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N1CCOC2(C[NH+](C(C)C)C2)C1 ZINC001407957877 919969762 /nfs/dbraw/zinc/96/97/62/919969762.db2.gz FULQQCKPGZQDOM-UHFFFAOYSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@H]1[C@H](NC(=O)N2CCn3c[nH+]cc3C2)CC[N@H+]1C ZINC001335251319 920062735 /nfs/dbraw/zinc/06/27/35/920062735.db2.gz JKEFCBLWIFRLTG-CMPLNLGQSA-N 2 2 263.345 0.501 20 0 CCADLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@H](O)CC2(O)CCOCC2)C1 ZINC001335443183 920195193 /nfs/dbraw/zinc/19/51/93/920195193.db2.gz CVOJXQMUPWZBFY-ZIAGYGMSSA-N 2 2 286.416 0.210 20 0 CCADLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@H](O)CC2(O)CCOCC2)C1 ZINC001335443183 920195200 /nfs/dbraw/zinc/19/52/00/920195200.db2.gz CVOJXQMUPWZBFY-ZIAGYGMSSA-N 2 2 286.416 0.210 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)NCCc2cn(C)c[nH+]2)C1 ZINC001414664472 920453408 /nfs/dbraw/zinc/45/34/08/920453408.db2.gz JRRSAQIQEZTNTN-CYBMUJFWSA-N 2 2 293.415 0.992 20 0 CCADLP CC(C)[N@H+]1CC[C@H](CNC(=O)NCCc2cn(C)c[nH+]2)C1 ZINC001414664472 920453420 /nfs/dbraw/zinc/45/34/20/920453420.db2.gz JRRSAQIQEZTNTN-CYBMUJFWSA-N 2 2 293.415 0.992 20 0 CCADLP C[C@@H](COCC1CC1)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC001336004286 920558883 /nfs/dbraw/zinc/55/88/83/920558883.db2.gz YGBHUHKZYOGNQK-FZMZJTMJSA-N 2 2 256.390 0.846 20 0 CCADLP C[C@@H](COCC1CC1)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC001336004286 920558897 /nfs/dbraw/zinc/55/88/97/920558897.db2.gz YGBHUHKZYOGNQK-FZMZJTMJSA-N 2 2 256.390 0.846 20 0 CCADLP C[C@H](COCC1CC1)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC001336004284 920559227 /nfs/dbraw/zinc/55/92/27/920559227.db2.gz YGBHUHKZYOGNQK-BXUZGUMPSA-N 2 2 256.390 0.846 20 0 CCADLP C[C@H](COCC1CC1)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC001336004284 920559239 /nfs/dbraw/zinc/55/92/39/920559239.db2.gz YGBHUHKZYOGNQK-BXUZGUMPSA-N 2 2 256.390 0.846 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@H](O)c1ccncc1)C1CC1 ZINC001336702819 920940848 /nfs/dbraw/zinc/94/08/48/920940848.db2.gz GCUJEOHTWRXKHW-KBPBESRZSA-N 2 2 265.357 0.160 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H](O)c1ccncc1)C1CC1 ZINC001336702819 920940859 /nfs/dbraw/zinc/94/08/59/920940859.db2.gz GCUJEOHTWRXKHW-KBPBESRZSA-N 2 2 265.357 0.160 20 0 CCADLP C[C@H](Nc1cc[nH+]c(N)n1)[C@H]1C[N@@H+](C)CCN1C ZINC001336726817 920955779 /nfs/dbraw/zinc/95/57/79/920955779.db2.gz RTTQYDHIHXZCOM-VHSXEESVSA-N 2 2 250.350 0.105 20 0 CCADLP CC[N@@H+]1CCC[C@@H](CNC(=O)C[C@H]([NH3+])C(F)F)C1 ZINC001340190941 922003397 /nfs/dbraw/zinc/00/33/97/922003397.db2.gz PKTFVPACHWGHLL-UWVGGRQHSA-N 2 2 263.332 0.817 20 0 CCADLP CC[N@H+]1CCC[C@@H](CNC(=O)C[C@H]([NH3+])C(F)F)C1 ZINC001340190941 922003412 /nfs/dbraw/zinc/00/34/12/922003412.db2.gz PKTFVPACHWGHLL-UWVGGRQHSA-N 2 2 263.332 0.817 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001418346721 922043552 /nfs/dbraw/zinc/04/35/52/922043552.db2.gz VQVGCEZYAVHTBH-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001418346721 922043570 /nfs/dbraw/zinc/04/35/70/922043570.db2.gz VQVGCEZYAVHTBH-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP COC[C@@H](C)[N@H+](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001418497820 922184738 /nfs/dbraw/zinc/18/47/38/922184738.db2.gz CMLYXAGRUHIXPJ-CHWSQXEVSA-N 2 2 282.388 0.917 20 0 CCADLP COC[C@@H](C)[N@@H+](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001418497820 922184744 /nfs/dbraw/zinc/18/47/44/922184744.db2.gz CMLYXAGRUHIXPJ-CHWSQXEVSA-N 2 2 282.388 0.917 20 0 CCADLP C[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C[C@@H]1C[C@@]12CCOC2 ZINC001418499013 922187125 /nfs/dbraw/zinc/18/71/25/922187125.db2.gz OXSFLMMNAZCFIG-SWLSCSKDSA-N 2 2 292.383 0.427 20 0 CCADLP C[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C[C@@H]1C[C@@]12CCOC2 ZINC001418499013 922187131 /nfs/dbraw/zinc/18/71/31/922187131.db2.gz OXSFLMMNAZCFIG-SWLSCSKDSA-N 2 2 292.383 0.427 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001418603059 922300208 /nfs/dbraw/zinc/30/02/08/922300208.db2.gz BWRIQKWAPHAOGD-DGCLKSJQSA-N 2 2 294.399 0.828 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001418603059 922300221 /nfs/dbraw/zinc/30/02/21/922300221.db2.gz BWRIQKWAPHAOGD-DGCLKSJQSA-N 2 2 294.399 0.828 20 0 CCADLP COC[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001418830856 922444715 /nfs/dbraw/zinc/44/47/15/922444715.db2.gz ZDXGPPCHIHDCAB-OLZOCXBDSA-N 2 2 294.399 0.528 20 0 CCADLP CCC[N@H+](C)CC(=O)NC1C[NH+](C[C@@H]2CCCCO2)C1 ZINC001419001095 922560563 /nfs/dbraw/zinc/56/05/63/922560563.db2.gz ZVYUDZPXPMSKPM-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC1C[NH+](C[C@@H]2CCCCO2)C1 ZINC001419001095 922560576 /nfs/dbraw/zinc/56/05/76/922560576.db2.gz ZVYUDZPXPMSKPM-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP Cc1cccn2cc(CC(=O)N[C@H]3C[C@@H]([NH3+])C3)[nH+]c12 ZINC001342172500 922845408 /nfs/dbraw/zinc/84/54/08/922845408.db2.gz ZZSWEZMSRQGCIL-PHIMTYICSA-N 2 2 258.325 0.791 20 0 CCADLP [NH3+]CCNCC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001342467436 922972628 /nfs/dbraw/zinc/97/26/28/922972628.db2.gz GDFDCIBRYXUWGJ-CQSZACIVSA-N 2 2 287.367 0.289 20 0 CCADLP [NH3+][C@H](CC(=O)NCCCCCN1CC[NH2+]CC1)C(F)F ZINC001342678666 923051866 /nfs/dbraw/zinc/05/18/66/923051866.db2.gz FRBULHNHCVEQEP-LLVKDONJSA-N 2 2 292.374 0.161 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@H](C)[NH2+]C[C@@H](C)O)c[nH+]1 ZINC001419777530 923090106 /nfs/dbraw/zinc/09/01/06/923090106.db2.gz STYBLQXLGUOPNT-CMPLNLGQSA-N 2 2 282.388 0.402 20 0 CCADLP COC[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1CC(C)C ZINC001342901237 923130246 /nfs/dbraw/zinc/13/02/46/923130246.db2.gz BCHCFHGJJHHFJM-NEPJUHHUSA-N 2 2 257.378 0.149 20 0 CCADLP COC[C@@H](C)[N@H+](C)CCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001419970315 923196006 /nfs/dbraw/zinc/19/60/06/923196006.db2.gz JLQVDTSHLSODNL-GFCCVEGCSA-N 2 2 282.388 0.767 20 0 CCADLP COC[C@@H](C)[N@@H+](C)CCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001419970315 923196018 /nfs/dbraw/zinc/19/60/18/923196018.db2.gz JLQVDTSHLSODNL-GFCCVEGCSA-N 2 2 282.388 0.767 20 0 CCADLP COC[C@@H](C)[N@H+](C)CCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001419970315 923196035 /nfs/dbraw/zinc/19/60/35/923196035.db2.gz JLQVDTSHLSODNL-GFCCVEGCSA-N 2 2 282.388 0.767 20 0 CCADLP COC[C@@H](C)[N@@H+](C)CCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001419970315 923196044 /nfs/dbraw/zinc/19/60/44/923196044.db2.gz JLQVDTSHLSODNL-GFCCVEGCSA-N 2 2 282.388 0.767 20 0 CCADLP Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)o1 ZINC001420289402 923505306 /nfs/dbraw/zinc/50/53/06/923505306.db2.gz DYPPMVWNBKXJPP-CKYFFXLPSA-N 2 2 295.387 0.313 20 0 CCADLP Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)o1 ZINC001420289402 923505319 /nfs/dbraw/zinc/50/53/19/923505319.db2.gz DYPPMVWNBKXJPP-CKYFFXLPSA-N 2 2 295.387 0.313 20 0 CCADLP Cc1ncccc1C[NH2+]C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001420352744 923569139 /nfs/dbraw/zinc/56/91/39/923569139.db2.gz RNYUIJUMFBXFQM-LLVKDONJSA-N 2 2 287.367 0.950 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC001420470889 923696764 /nfs/dbraw/zinc/69/67/64/923696764.db2.gz PDNWNCMLFFIVCM-CYBMUJFWSA-N 2 2 294.399 0.316 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC001420470889 923696773 /nfs/dbraw/zinc/69/67/73/923696773.db2.gz PDNWNCMLFFIVCM-CYBMUJFWSA-N 2 2 294.399 0.316 20 0 CCADLP COCC[N@H+](C)C[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001420607616 923821059 /nfs/dbraw/zinc/82/10/59/923821059.db2.gz ABDPEYVZCMQDKP-LBPRGKRZSA-N 2 2 282.388 0.436 20 0 CCADLP COCC[N@@H+](C)C[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001420607616 923821068 /nfs/dbraw/zinc/82/10/68/923821068.db2.gz ABDPEYVZCMQDKP-LBPRGKRZSA-N 2 2 282.388 0.436 20 0 CCADLP CCC[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C[C@@H]1CCOC1 ZINC001420609137 923821229 /nfs/dbraw/zinc/82/12/29/923821229.db2.gz IPFSPAKRIFYQFI-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP CCC[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C[C@@H]1CCOC1 ZINC001420609137 923821232 /nfs/dbraw/zinc/82/12/32/923821232.db2.gz IPFSPAKRIFYQFI-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP C[C@@H]([NH2+]C[C@H](C)O)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001420757176 923923545 /nfs/dbraw/zinc/92/35/45/923923545.db2.gz DLXCOXQKOOUQJA-NWDGAFQWSA-N 2 2 294.399 0.550 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[N@@H+]1C[C@@H]1CCOC1 ZINC001420897327 924006966 /nfs/dbraw/zinc/00/69/66/924006966.db2.gz RLLSOBBTEZWCCN-QWHCGFSZSA-N 2 2 292.383 0.488 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[N@H+]1C[C@@H]1CCOC1 ZINC001420897327 924006979 /nfs/dbraw/zinc/00/69/79/924006979.db2.gz RLLSOBBTEZWCCN-QWHCGFSZSA-N 2 2 292.383 0.488 20 0 CCADLP CO[C@@H](C)C[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001420934806 924041497 /nfs/dbraw/zinc/04/14/97/924041497.db2.gz SCPKPLWWFRLHPP-STQMWFEESA-N 2 2 294.399 0.767 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001420934806 924041510 /nfs/dbraw/zinc/04/15/10/924041510.db2.gz SCPKPLWWFRLHPP-STQMWFEESA-N 2 2 294.399 0.767 20 0 CCADLP CO[C@@H](C)C[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001420934802 924042838 /nfs/dbraw/zinc/04/28/38/924042838.db2.gz SCPKPLWWFRLHPP-QWHCGFSZSA-N 2 2 294.399 0.767 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001420934802 924042853 /nfs/dbraw/zinc/04/28/53/924042853.db2.gz SCPKPLWWFRLHPP-QWHCGFSZSA-N 2 2 294.399 0.767 20 0 CCADLP O=C(C[NH+]1CCCC1)NCC1([NH2+]Cc2ncccn2)CC1 ZINC001421000404 924084660 /nfs/dbraw/zinc/08/46/60/924084660.db2.gz BAIZGCMRGQIBGS-UHFFFAOYSA-N 2 2 289.383 0.311 20 0 CCADLP CC(C)OCC[NH+]1CC(NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001421046590 924117728 /nfs/dbraw/zinc/11/77/28/924117728.db2.gz OKQHXVUAQRXFDC-UHFFFAOYSA-N 2 2 283.416 0.696 20 0 CCADLP [NH3+][C@H](C(=O)N[C@@H]1C[C@H]([NH3+])C1)c1c(F)cccc1F ZINC001346419199 924201744 /nfs/dbraw/zinc/20/17/44/924201744.db2.gz FUFJSLFKABKNJU-CVJICSNFSA-N 2 2 255.268 0.571 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC001349598654 925000781 /nfs/dbraw/zinc/00/07/81/925000781.db2.gz BCLCZBPTSJNKNG-UTUOFQBUSA-N 2 2 269.389 0.197 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC001349598654 925000790 /nfs/dbraw/zinc/00/07/90/925000790.db2.gz BCLCZBPTSJNKNG-UTUOFQBUSA-N 2 2 269.389 0.197 20 0 CCADLP C[NH2+]C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001350359364 925178586 /nfs/dbraw/zinc/17/85/86/925178586.db2.gz USXKNJQMIRHXNW-LLVKDONJSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@H]([NH3+])CN(C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001351539833 925431454 /nfs/dbraw/zinc/43/14/54/925431454.db2.gz RCWHJKXCGGGATG-VHSXEESVSA-N 2 2 251.334 0.187 20 0 CCADLP CSCC[C@H]([NH3+])CC(=O)NCCCn1cc[nH+]c1 ZINC001353434371 925833320 /nfs/dbraw/zinc/83/33/20/925833320.db2.gz YREDWEAEFMLZAR-NSHDSACASA-N 2 2 270.402 0.860 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC001353653108 925895968 /nfs/dbraw/zinc/89/59/68/925895968.db2.gz BNLLOVRBBKPVIJ-JQWIXIFHSA-N 2 2 262.357 0.847 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC001353653108 925895977 /nfs/dbraw/zinc/89/59/77/925895977.db2.gz BNLLOVRBBKPVIJ-JQWIXIFHSA-N 2 2 262.357 0.847 20 0 CCADLP [NH3+][C@H](CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(F)F ZINC001354523920 926125042 /nfs/dbraw/zinc/12/50/42/926125042.db2.gz QZMGNWAMXNOYSS-UTINFBMNSA-N 2 2 261.316 0.616 20 0 CCADLP C[NH2+]CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001354855088 926175393 /nfs/dbraw/zinc/17/53/93/926175393.db2.gz XQWCVHURPSBEKU-GFCCVEGCSA-N 2 2 264.373 0.902 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CC1(C[NH3+])CC1 ZINC001356607092 926407835 /nfs/dbraw/zinc/40/78/35/926407835.db2.gz MQIXRJNOHLIQRW-GFCCVEGCSA-N 2 2 269.389 0.295 20 0 CCADLP Cc1nnc(C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)C(C)C)o1 ZINC001421982507 927025170 /nfs/dbraw/zinc/02/51/70/927025170.db2.gz KZEJVNRJZUSMOF-LLVKDONJSA-N 2 2 297.403 0.655 20 0 CCADLP Cc1nnc(C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C(C)C)o1 ZINC001421982507 927025183 /nfs/dbraw/zinc/02/51/83/927025183.db2.gz KZEJVNRJZUSMOF-LLVKDONJSA-N 2 2 297.403 0.655 20 0 CCADLP COCc1nnc2n1CC[N@@H+](CCCn1cc[nH+]c1C)C2 ZINC001422017953 927037787 /nfs/dbraw/zinc/03/77/87/927037787.db2.gz WXIPJZXASMXSJB-UHFFFAOYSA-N 2 2 290.371 0.835 20 0 CCADLP COCc1nnc2n1CC[N@H+](CCCn1cc[nH+]c1C)C2 ZINC001422017953 927037808 /nfs/dbraw/zinc/03/78/08/927037808.db2.gz WXIPJZXASMXSJB-UHFFFAOYSA-N 2 2 290.371 0.835 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CCC[C@@H]1C[N@H+](C)CCO ZINC001422250203 927174562 /nfs/dbraw/zinc/17/45/62/927174562.db2.gz FSDCUZYNPWYROO-CQSZACIVSA-N 2 2 294.399 0.268 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CCC[C@@H]1C[N@@H+](C)CCO ZINC001422250203 927174568 /nfs/dbraw/zinc/17/45/68/927174568.db2.gz FSDCUZYNPWYROO-CQSZACIVSA-N 2 2 294.399 0.268 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(c2ncccn2)CC1 ZINC001422283255 927191740 /nfs/dbraw/zinc/19/17/40/927191740.db2.gz PYCOENMMTICKQC-AWEZNQCLSA-N 2 2 278.400 0.969 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2ncccn2)CC1 ZINC001422283255 927191751 /nfs/dbraw/zinc/19/17/51/927191751.db2.gz PYCOENMMTICKQC-AWEZNQCLSA-N 2 2 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PBBOKRKXMGVGTN-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)C[C@H]1CCCOC1 ZINC001448122366 930825510 /nfs/dbraw/zinc/82/55/10/930825510.db2.gz PBBOKRKXMGVGTN-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC001448464822 930894395 /nfs/dbraw/zinc/89/43/95/930894395.db2.gz LOBDZRKFSDMYRV-ZSOGYDGISA-N 2 2 288.395 0.965 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC001448464822 930894397 /nfs/dbraw/zinc/89/43/97/930894397.db2.gz LOBDZRKFSDMYRV-ZSOGYDGISA-N 2 2 288.395 0.965 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@]2(C)CC[NH+](CCF)C2)C1 ZINC001375844455 930989647 /nfs/dbraw/zinc/98/96/47/930989647.db2.gz PMYXQSOEOUHVOV-TZMCWYRMSA-N 2 2 271.380 0.878 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@]2(C)CC[NH+](CCF)C2)C1 ZINC001375844455 930989652 /nfs/dbraw/zinc/98/96/52/930989652.db2.gz PMYXQSOEOUHVOV-TZMCWYRMSA-N 2 2 271.380 0.878 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)N[C@]2(C)CC[N@H+](CCF)C2)C1 ZINC001375844455 930989654 /nfs/dbraw/zinc/98/96/54/930989654.db2.gz PMYXQSOEOUHVOV-TZMCWYRMSA-N 2 2 271.380 0.878 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)N[C@]2(C)CC[N@@H+](CCF)C2)C1 ZINC001375844455 930989658 /nfs/dbraw/zinc/98/96/58/930989658.db2.gz PMYXQSOEOUHVOV-TZMCWYRMSA-N 2 2 271.380 0.878 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@]1(O)CC[N@H+](CC2CCC2)C1 ZINC001376115161 931054298 /nfs/dbraw/zinc/05/42/98/931054298.db2.gz CQAVDKVCGNSFCP-HNNXBMFYSA-N 2 2 292.383 0.236 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@]1(O)CC[N@@H+](CC2CCC2)C1 ZINC001376115161 931054303 /nfs/dbraw/zinc/05/43/03/931054303.db2.gz CQAVDKVCGNSFCP-HNNXBMFYSA-N 2 2 292.383 0.236 20 0 CCADLP CC[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001376229389 931096422 /nfs/dbraw/zinc/09/64/22/931096422.db2.gz IUMCEPPYUWBQMC-KGLIPLIRSA-N 2 2 297.443 0.680 20 0 CCADLP CC[C@@H](C)C[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001376229389 931096431 /nfs/dbraw/zinc/09/64/31/931096431.db2.gz IUMCEPPYUWBQMC-KGLIPLIRSA-N 2 2 297.443 0.680 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]([NH2+]CCO)C1CC1 ZINC001376246731 931105314 /nfs/dbraw/zinc/10/53/14/931105314.db2.gz CFQRCUNSJGARQZ-ZWNOBZJWSA-N 2 2 280.372 0.065 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]([NH2+]CCO)C1CC1 ZINC001376246731 931105319 /nfs/dbraw/zinc/10/53/19/931105319.db2.gz CFQRCUNSJGARQZ-ZWNOBZJWSA-N 2 2 280.372 0.065 20 0 CCADLP CC(C)c1noc(C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)n1 ZINC001376804470 931282845 /nfs/dbraw/zinc/28/28/45/931282845.db2.gz BWKFRPGONSHHHY-NSHDSACASA-N 2 2 297.403 0.739 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CO2 ZINC001377072095 931373615 /nfs/dbraw/zinc/37/36/15/931373615.db2.gz CWDPVBDWWPGNBN-QWHCGFSZSA-N 2 2 283.416 0.552 20 0 CCADLP CCNS(=O)(=O)[C@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000092844051 349507890 /nfs/dbraw/zinc/50/78/90/349507890.db2.gz CSLJFFCESJUJEB-STQMWFEESA-N 2 2 289.445 0.484 20 0 CCADLP CCNS(=O)(=O)[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000092844051 349507892 /nfs/dbraw/zinc/50/78/92/349507892.db2.gz CSLJFFCESJUJEB-STQMWFEESA-N 2 2 289.445 0.484 20 0 CCADLP CCNS(=O)(=O)[C@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000092844051 349507896 /nfs/dbraw/zinc/50/78/96/349507896.db2.gz CSLJFFCESJUJEB-STQMWFEESA-N 2 2 289.445 0.484 20 0 CCADLP CCNS(=O)(=O)[C@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000092844051 349507898 /nfs/dbraw/zinc/50/78/98/349507898.db2.gz CSLJFFCESJUJEB-STQMWFEESA-N 2 2 289.445 0.484 20 0 CCADLP COC(=O)[C@]1(OC)CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000599566954 361746520 /nfs/dbraw/zinc/74/65/20/361746520.db2.gz UIGDWRDHJSRUOK-LBPRGKRZSA-N 2 2 253.302 0.147 20 0 CCADLP COC(=O)[C@]1(OC)CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000599566954 361746523 /nfs/dbraw/zinc/74/65/23/361746523.db2.gz UIGDWRDHJSRUOK-LBPRGKRZSA-N 2 2 253.302 0.147 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000617342586 365611053 /nfs/dbraw/zinc/61/10/53/365611053.db2.gz GINWXIMDPPBKKO-LLVKDONJSA-N 2 2 250.346 0.872 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000617342586 365611056 /nfs/dbraw/zinc/61/10/56/365611056.db2.gz GINWXIMDPPBKKO-LLVKDONJSA-N 2 2 250.346 0.872 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCc3cc(F)ccc3C2)CC1 ZINC000093257041 349534193 /nfs/dbraw/zinc/53/41/93/349534193.db2.gz BHBSBVPWQHFDRI-UHFFFAOYSA-N 2 2 291.370 0.958 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCc3cc(F)ccc3C2)CC1 ZINC000093257041 349534196 /nfs/dbraw/zinc/53/41/96/349534196.db2.gz BHBSBVPWQHFDRI-UHFFFAOYSA-N 2 2 291.370 0.958 20 0 CCADLP CC(C)[C@H](C(=O)NCC[NH+]1CCC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000337638208 214192412 /nfs/dbraw/zinc/19/24/12/214192412.db2.gz ZOVBCSMKFAJAHI-RBSFLKMASA-N 2 2 297.443 0.942 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)C[C@H](C)O1 ZINC000094342161 349568430 /nfs/dbraw/zinc/56/84/30/349568430.db2.gz IWDDUHGWQHONSJ-RVMXOQNASA-N 2 2 269.389 0.291 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)C[C@H](C)O1 ZINC000094342161 349568434 /nfs/dbraw/zinc/56/84/34/349568434.db2.gz IWDDUHGWQHONSJ-RVMXOQNASA-N 2 2 269.389 0.291 20 0 CCADLP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)O1 ZINC000094563680 349569502 /nfs/dbraw/zinc/56/95/02/349569502.db2.gz KDVYYFKWOBFUMM-OLZOCXBDSA-N 2 2 290.367 0.237 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000337749673 214245420 /nfs/dbraw/zinc/24/54/20/214245420.db2.gz IGNWXFUEQWCEPY-AWEZNQCLSA-N 2 2 271.405 0.590 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000337749673 214245422 /nfs/dbraw/zinc/24/54/22/214245422.db2.gz IGNWXFUEQWCEPY-AWEZNQCLSA-N 2 2 271.405 0.590 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3nnnn3C3CC3)C[C@@H]21 ZINC000125329621 187180285 /nfs/dbraw/zinc/18/02/85/187180285.db2.gz FMZVWRVFDMLSSR-ZMLRMANQSA-N 2 2 262.361 0.567 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3nnnn3C3CC3)C[C@@H]21 ZINC000125329621 187180286 /nfs/dbraw/zinc/18/02/86/187180286.db2.gz FMZVWRVFDMLSSR-ZMLRMANQSA-N 2 2 262.361 0.567 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)NCCn1cc[nH+]c1 ZINC000337906307 214306728 /nfs/dbraw/zinc/30/67/28/214306728.db2.gz VEFPAQXESKQBTL-UHFFFAOYSA-N 2 2 276.344 0.778 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)N[C@@H](C)C[NH+](C)C ZINC000492920873 529554872 /nfs/dbraw/zinc/55/48/72/529554872.db2.gz KJXZRZQFQINTCC-MLRMMBSGSA-N 2 2 250.346 0.983 20 0 CCADLP CC[C@@H](Cn1cncn1)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000453268051 529549434 /nfs/dbraw/zinc/54/94/34/529549434.db2.gz PTBYDXFUSDPNRV-UONOGXRCSA-N 2 2 281.404 0.493 20 0 CCADLP CC[C@@H](Cn1cncn1)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000453268051 529549437 /nfs/dbraw/zinc/54/94/37/529549437.db2.gz PTBYDXFUSDPNRV-UONOGXRCSA-N 2 2 281.404 0.493 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)NCC[N@H+](C)CCCOC ZINC000454563206 529573749 /nfs/dbraw/zinc/57/37/49/529573749.db2.gz VZHOBQVIHQUCMV-UHFFFAOYSA-N 2 2 297.403 0.671 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)NCC[N@@H+](C)CCCOC ZINC000454563206 529573754 /nfs/dbraw/zinc/57/37/54/529573754.db2.gz VZHOBQVIHQUCMV-UHFFFAOYSA-N 2 2 297.403 0.671 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)NCc1c[nH+]ccc1OC ZINC000418222451 529562681 /nfs/dbraw/zinc/56/26/81/529562681.db2.gz XEOKMTFMBDMDFH-SNVBAGLBSA-N 2 2 252.318 0.627 20 0 CCADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)NCC(F)(F)F ZINC000104315501 349715067 /nfs/dbraw/zinc/71/50/67/349715067.db2.gz WFCKZFDJHNEHDF-VIFPVBQESA-N 2 2 267.295 0.868 20 0 CCADLP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)NCC(F)(F)F ZINC000104315501 349715070 /nfs/dbraw/zinc/71/50/70/349715070.db2.gz WFCKZFDJHNEHDF-VIFPVBQESA-N 2 2 267.295 0.868 20 0 CCADLP CC(C)N(C(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)C(C)C ZINC000107573925 349738030 /nfs/dbraw/zinc/73/80/30/349738030.db2.gz ZMVZXKIVNYSLFY-STQMWFEESA-N 2 2 253.390 0.783 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000108553283 349750201 /nfs/dbraw/zinc/75/02/01/349750201.db2.gz IECJWVZPXSQNLL-ZIAGYGMSSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000108553283 349750205 /nfs/dbraw/zinc/75/02/05/349750205.db2.gz IECJWVZPXSQNLL-ZIAGYGMSSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000111263318 349768064 /nfs/dbraw/zinc/76/80/64/349768064.db2.gz RHUAASXMYVLOBO-CHWSQXEVSA-N 2 2 274.368 0.586 20 0 CCADLP COC(=O)c1cnc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cn1 ZINC000600705945 362037733 /nfs/dbraw/zinc/03/77/33/362037733.db2.gz BSOLIWFULBCUAP-VHSXEESVSA-N 2 2 264.329 0.432 20 0 CCADLP COC(=O)c1cnc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cn1 ZINC000600705945 362037739 /nfs/dbraw/zinc/03/77/39/362037739.db2.gz BSOLIWFULBCUAP-VHSXEESVSA-N 2 2 264.329 0.432 20 0 CCADLP COC(=O)c1cnc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000600707350 362039540 /nfs/dbraw/zinc/03/95/40/362039540.db2.gz AYOQIMMSDBNSJH-QWRGUYRKSA-N 2 2 278.356 0.680 20 0 CCADLP COC(=O)c1cnc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000600707350 362039542 /nfs/dbraw/zinc/03/95/42/362039542.db2.gz AYOQIMMSDBNSJH-QWRGUYRKSA-N 2 2 278.356 0.680 20 0 CCADLP COC(=O)c1cnc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000600708418 362041160 /nfs/dbraw/zinc/04/11/60/362041160.db2.gz CSHNCAWSDSSRMV-OAHLLOKOSA-N 2 2 290.367 0.839 20 0 CCADLP COC(=O)c1cnc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000600708418 362041162 /nfs/dbraw/zinc/04/11/62/362041162.db2.gz CSHNCAWSDSSRMV-OAHLLOKOSA-N 2 2 290.367 0.839 20 0 CCADLP CCC(CC)[C@@H](C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[NH+]1CCOCC1 ZINC000366513336 282224774 /nfs/dbraw/zinc/22/47/74/282224774.db2.gz KFSQSODJMKFVHW-YJNKXOJESA-N 2 2 295.427 0.457 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C2([NH+](C)C)CC2)[C@@H](C)CO1 ZINC000617718731 365722634 /nfs/dbraw/zinc/72/26/34/365722634.db2.gz BZMPCBCKLFBYQK-NWDGAFQWSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2([NH+](C)C)CC2)[C@@H](C)CO1 ZINC000617718731 365722639 /nfs/dbraw/zinc/72/26/39/365722639.db2.gz BZMPCBCKLFBYQK-NWDGAFQWSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)C2([NH+](C)C)CC2)[C@@H](C)CO1 ZINC000617718732 365723574 /nfs/dbraw/zinc/72/35/74/365723574.db2.gz BZMPCBCKLFBYQK-RYUDHWBXSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)C2([NH+](C)C)CC2)[C@@H](C)CO1 ZINC000617718732 365723577 /nfs/dbraw/zinc/72/35/77/365723577.db2.gz BZMPCBCKLFBYQK-RYUDHWBXSA-N 2 2 269.389 0.306 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C)[NH+](C)C ZINC000617730172 365740559 /nfs/dbraw/zinc/74/05/59/365740559.db2.gz KAOVTCQLXSVDHI-RDBSUJKOSA-N 2 2 285.432 0.798 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C)[NH+](C)C ZINC000617730172 365740561 /nfs/dbraw/zinc/74/05/61/365740561.db2.gz KAOVTCQLXSVDHI-RDBSUJKOSA-N 2 2 285.432 0.798 20 0 CCADLP C[C@H](NC(=O)N1CCC[C@@H]1C[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000417513943 299094595 /nfs/dbraw/zinc/09/45/95/299094595.db2.gz AMGKZPAZSVDPIO-RWMBFGLXSA-N 2 2 284.404 0.228 20 0 CCADLP CCOC(=O)C1(C)CC([NH2+]CC(=O)N2CC[NH+](C)CC2)C1 ZINC000601264637 362195208 /nfs/dbraw/zinc/19/52/08/362195208.db2.gz BVASHXFJCNAYAK-UHFFFAOYSA-N 2 2 297.399 0.082 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NCC[NH+]1C[C@H](C)OC[C@@H]1C ZINC000617735554 365745736 /nfs/dbraw/zinc/74/57/36/365745736.db2.gz QZONOASVRJXXTM-STQMWFEESA-N 2 2 271.405 0.552 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NCC[NH+]1C[C@H](C)OC[C@@H]1C ZINC000617735554 365745739 /nfs/dbraw/zinc/74/57/39/365745739.db2.gz QZONOASVRJXXTM-STQMWFEESA-N 2 2 271.405 0.552 20 0 CCADLP CC(C)[NH+](C)CC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000617735554 365745743 /nfs/dbraw/zinc/74/57/43/365745743.db2.gz QZONOASVRJXXTM-STQMWFEESA-N 2 2 271.405 0.552 20 0 CCADLP CC(C)[NH+](C)CC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000617735554 365745746 /nfs/dbraw/zinc/74/57/46/365745746.db2.gz QZONOASVRJXXTM-STQMWFEESA-N 2 2 271.405 0.552 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(O)CCCC1 ZINC000617765582 365770590 /nfs/dbraw/zinc/77/05/90/365770590.db2.gz HSXGRJASSLHGSF-UHFFFAOYSA-N 2 2 271.405 0.291 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(O)CCCC1 ZINC000617765582 365770597 /nfs/dbraw/zinc/77/05/97/365770597.db2.gz HSXGRJASSLHGSF-UHFFFAOYSA-N 2 2 271.405 0.291 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnn(CCF)c1 ZINC000617764114 365765479 /nfs/dbraw/zinc/76/54/79/365765479.db2.gz JPSMLOBDCAGQHP-UHFFFAOYSA-N 2 2 299.394 0.466 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnn(CCF)c1 ZINC000617764114 365765484 /nfs/dbraw/zinc/76/54/84/365765484.db2.gz JPSMLOBDCAGQHP-UHFFFAOYSA-N 2 2 299.394 0.466 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CC1(F)F ZINC000617763059 365765654 /nfs/dbraw/zinc/76/56/54/365765654.db2.gz CFPWJVAQNAPWAJ-JTQLQIEISA-N 2 2 263.332 0.641 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CC1(F)F ZINC000617763059 365765658 /nfs/dbraw/zinc/76/56/58/365765658.db2.gz CFPWJVAQNAPWAJ-JTQLQIEISA-N 2 2 263.332 0.641 20 0 CCADLP CCc1nc(N2CC[N@H+](CCO)C[C@@H]2C)cc(C)[nH+]1 ZINC000450959377 529730033 /nfs/dbraw/zinc/73/00/33/529730033.db2.gz YAPNLKBWLDXYJZ-LBPRGKRZSA-N 2 2 264.373 0.850 20 0 CCADLP CCc1nc(N2CC[N@@H+](CCO)C[C@@H]2C)cc(C)[nH+]1 ZINC000450959377 529730034 /nfs/dbraw/zinc/73/00/34/529730034.db2.gz YAPNLKBWLDXYJZ-LBPRGKRZSA-N 2 2 264.373 0.850 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCc1cnccn1 ZINC000617764248 365768338 /nfs/dbraw/zinc/76/83/38/365768338.db2.gz PCVSXOXTUXQJNR-UHFFFAOYSA-N 2 2 293.415 0.409 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCc1cnccn1 ZINC000617764248 365768345 /nfs/dbraw/zinc/76/83/45/365768345.db2.gz PCVSXOXTUXQJNR-UHFFFAOYSA-N 2 2 293.415 0.409 20 0 CCADLP CCO[C@H]1C[C@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767471 365773929 /nfs/dbraw/zinc/77/39/29/365773929.db2.gz XDTDUAXJOWINLE-OLZOCXBDSA-N 2 2 271.405 0.411 20 0 CCADLP CCO[C@H]1C[C@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767471 365773934 /nfs/dbraw/zinc/77/39/34/365773934.db2.gz XDTDUAXJOWINLE-OLZOCXBDSA-N 2 2 271.405 0.411 20 0 CCADLP Cc1noc(CCC(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000617768076 365773966 /nfs/dbraw/zinc/77/39/66/365773966.db2.gz OAABXIAUGJSGNA-UHFFFAOYSA-N 2 2 297.403 0.310 20 0 CCADLP Cc1noc(CCC(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000617768076 365773970 /nfs/dbraw/zinc/77/39/70/365773970.db2.gz OAABXIAUGJSGNA-UHFFFAOYSA-N 2 2 297.403 0.310 20 0 CCADLP C[C@H]1C[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)CCC1=O ZINC000617765855 365770841 /nfs/dbraw/zinc/77/08/41/365770841.db2.gz SZCYDBCHWBWYBT-UONOGXRCSA-N 2 2 297.443 0.991 20 0 CCADLP C[C@H]1C[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCC1=O ZINC000617765855 365770847 /nfs/dbraw/zinc/77/08/47/365770847.db2.gz SZCYDBCHWBWYBT-UONOGXRCSA-N 2 2 297.443 0.991 20 0 CCADLP C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765982 365770902 /nfs/dbraw/zinc/77/09/02/365770902.db2.gz YIDXDWDPMPYUIT-HIFRSBDPSA-N 2 2 297.443 0.991 20 0 CCADLP C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765982 365770907 /nfs/dbraw/zinc/77/09/07/365770907.db2.gz YIDXDWDPMPYUIT-HIFRSBDPSA-N 2 2 297.443 0.991 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnco1 ZINC000617765430 365771013 /nfs/dbraw/zinc/77/10/13/365771013.db2.gz ADLUGKXKBDABLG-UHFFFAOYSA-N 2 2 254.334 0.288 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnco1 ZINC000617765430 365771015 /nfs/dbraw/zinc/77/10/15/365771015.db2.gz ADLUGKXKBDABLG-UHFFFAOYSA-N 2 2 254.334 0.288 20 0 CCADLP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)[C@H]2CC[NH2+]C2)C1 ZINC000423862598 529782545 /nfs/dbraw/zinc/78/25/45/529782545.db2.gz GFDQNRRMATXBDF-UONOGXRCSA-N 2 2 281.400 0.165 20 0 CCADLP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)[C@H]2CC[NH2+]C2)C1 ZINC000423862598 529782546 /nfs/dbraw/zinc/78/25/46/529782546.db2.gz GFDQNRRMATXBDF-UONOGXRCSA-N 2 2 281.400 0.165 20 0 CCADLP O=C1CNC(=O)N1CC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000128134723 187353858 /nfs/dbraw/zinc/35/38/58/187353858.db2.gz AXIMNHAACQMYNO-UHFFFAOYSA-N 2 2 280.372 0.002 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000423775849 529979893 /nfs/dbraw/zinc/97/98/93/529979893.db2.gz DFWOXHSVVHRWNW-LLVKDONJSA-N 2 2 277.372 0.289 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000417892304 529983589 /nfs/dbraw/zinc/98/35/89/529983589.db2.gz QJWJZKPNFUFMCV-LLVKDONJSA-N 2 2 275.356 0.989 20 0 CCADLP C[N@@H+](CC(=O)N1CCCC1)C[C@H]1CCC[NH+](C)C1 ZINC000158075789 282342839 /nfs/dbraw/zinc/34/28/39/282342839.db2.gz STGUMNLRTBPITQ-ZDUSSCGKSA-N 2 2 253.390 0.882 20 0 CCADLP C[N@H+](CC(=O)N1CCCC1)C[C@H]1CCC[NH+](C)C1 ZINC000158075789 282342840 /nfs/dbraw/zinc/34/28/40/282342840.db2.gz STGUMNLRTBPITQ-ZDUSSCGKSA-N 2 2 253.390 0.882 20 0 CCADLP C[NH+](CC(=O)N1CCCC1)C[C@H]1CCC[N@H+](C)C1 ZINC000158075789 282342841 /nfs/dbraw/zinc/34/28/41/282342841.db2.gz STGUMNLRTBPITQ-ZDUSSCGKSA-N 2 2 253.390 0.882 20 0 CCADLP C[NH+](CC(=O)N1CCCC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000158075789 282342842 /nfs/dbraw/zinc/34/28/42/282342842.db2.gz STGUMNLRTBPITQ-ZDUSSCGKSA-N 2 2 253.390 0.882 20 0 CCADLP C[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)C[C@@H](O)C[NH3+] ZINC000336837405 282343804 /nfs/dbraw/zinc/34/38/04/282343804.db2.gz ZARQDGGJIGSNKB-IHRRRGAJSA-N 2 2 283.416 0.419 20 0 CCADLP C[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)C[C@@H](O)C[NH3+] ZINC000336837405 282343805 /nfs/dbraw/zinc/34/38/05/282343805.db2.gz ZARQDGGJIGSNKB-IHRRRGAJSA-N 2 2 283.416 0.419 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)n1C ZINC000602007276 362455267 /nfs/dbraw/zinc/45/52/67/362455267.db2.gz NBUDZRVAYUMLHO-CYBMUJFWSA-N 2 2 294.399 0.147 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)n1C ZINC000602007276 362455276 /nfs/dbraw/zinc/45/52/76/362455276.db2.gz NBUDZRVAYUMLHO-CYBMUJFWSA-N 2 2 294.399 0.147 20 0 CCADLP CC[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)OC)[C@@H]1CCC[NH2+]1 ZINC000602021573 362461541 /nfs/dbraw/zinc/46/15/41/362461541.db2.gz PTPWGMYOCWWMTO-YFKTTZPYSA-N 2 2 285.388 0.173 20 0 CCADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000423932295 530042093 /nfs/dbraw/zinc/04/20/93/530042093.db2.gz OEWQOJLDCWCCIS-MELADBBJSA-N 2 2 297.443 0.942 20 0 CCADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000423932295 530042094 /nfs/dbraw/zinc/04/20/94/530042094.db2.gz OEWQOJLDCWCCIS-MELADBBJSA-N 2 2 297.443 0.942 20 0 CCADLP C[N@@H+]1CCN(C(=O)/C=C/c2cccnc2)[C@@H](C[NH3+])C1 ZINC000493554820 530066062 /nfs/dbraw/zinc/06/60/62/530066062.db2.gz QYFNYNQGHITRRY-IHVVCDCBSA-N 2 2 260.341 0.196 20 0 CCADLP C[N@H+]1CCN(C(=O)/C=C/c2cccnc2)[C@@H](C[NH3+])C1 ZINC000493554820 530066063 /nfs/dbraw/zinc/06/60/63/530066063.db2.gz QYFNYNQGHITRRY-IHVVCDCBSA-N 2 2 260.341 0.196 20 0 CCADLP CN1CC[N@H+](C)[C@@H](CNC(=O)C[C@H]2CCC[NH2+]CC2)C1 ZINC000427292895 530070379 /nfs/dbraw/zinc/07/03/79/530070379.db2.gz VSTCOESMUBAKIK-KBPBESRZSA-N 2 2 282.432 0.128 20 0 CCADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)C[C@H]2CCC[NH2+]CC2)C1 ZINC000427292895 530070380 /nfs/dbraw/zinc/07/03/80/530070380.db2.gz VSTCOESMUBAKIK-KBPBESRZSA-N 2 2 282.432 0.128 20 0 CCADLP Cc1nn(C)c(C)c1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358154625 232053377 /nfs/dbraw/zinc/05/33/77/232053377.db2.gz DTYVTEWWMZLEEW-ZDUSSCGKSA-N 2 2 252.362 0.193 20 0 CCADLP Cc1nn(C)c(C)c1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358154625 232053381 /nfs/dbraw/zinc/05/33/81/232053381.db2.gz DTYVTEWWMZLEEW-ZDUSSCGKSA-N 2 2 252.362 0.193 20 0 CCADLP CC[C@@H](C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000655244070 412518930 /nfs/dbraw/zinc/51/89/30/412518930.db2.gz MIWORKJFRHYISW-FQUUOJAGSA-N 2 2 285.432 0.941 20 0 CCADLP CC[C@@H](C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000655244070 412518934 /nfs/dbraw/zinc/51/89/34/412518934.db2.gz MIWORKJFRHYISW-FQUUOJAGSA-N 2 2 285.432 0.941 20 0 CCADLP C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C[NH3+] ZINC000163551073 290745286 /nfs/dbraw/zinc/74/52/86/290745286.db2.gz LTCALWRECUGFRF-NEPJUHHUSA-N 2 2 250.346 0.717 20 0 CCADLP COC(=O)c1cc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)on1 ZINC000602513009 362651880 /nfs/dbraw/zinc/65/18/80/362651880.db2.gz YWCGLQUFGMQSGC-VIFPVBQESA-N 2 2 264.285 0.836 20 0 CCADLP C[C@H](CNC(=O)[C@]1(C)CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000119968851 349963995 /nfs/dbraw/zinc/96/39/95/349963995.db2.gz BFLHKFIEZRFEKU-TZMCWYRMSA-N 2 2 269.389 0.213 20 0 CCADLP CCN(C#N)CC[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000602791573 362801966 /nfs/dbraw/zinc/80/19/66/362801966.db2.gz WDNNMAZYIBYFRS-OAHLLOKOSA-N 2 2 279.432 0.501 20 0 CCADLP CCN(C#N)CC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000602791573 362801972 /nfs/dbraw/zinc/80/19/72/362801972.db2.gz WDNNMAZYIBYFRS-OAHLLOKOSA-N 2 2 279.432 0.501 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000618181191 365917845 /nfs/dbraw/zinc/91/78/45/365917845.db2.gz ARKHNZKWUIYNOQ-CYBMUJFWSA-N 2 2 278.356 0.125 20 0 CCADLP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261556039 137008231 /nfs/dbraw/zinc/00/82/31/137008231.db2.gz BVCGZABUXBONIV-WOPDTQHZSA-N 2 2 253.390 0.973 20 0 CCADLP C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261556039 137008232 /nfs/dbraw/zinc/00/82/32/137008232.db2.gz BVCGZABUXBONIV-WOPDTQHZSA-N 2 2 253.390 0.973 20 0 CCADLP c1c(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)nc2ncccn12 ZINC000261580498 137010270 /nfs/dbraw/zinc/01/02/70/137010270.db2.gz FKWNYKSKPCBYRJ-AWEZNQCLSA-N 2 2 257.341 0.915 20 0 CCADLP c1c(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)nc2ncccn12 ZINC000261580498 137010271 /nfs/dbraw/zinc/01/02/71/137010271.db2.gz FKWNYKSKPCBYRJ-AWEZNQCLSA-N 2 2 257.341 0.915 20 0 CCADLP O=C(C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)N1CCCCCC1 ZINC000261609853 137012196 /nfs/dbraw/zinc/01/21/96/137012196.db2.gz DRDCYPHBSVNCRH-OAHLLOKOSA-N 2 2 294.443 0.369 20 0 CCADLP CC1CCN(C(=O)C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000261633215 137013031 /nfs/dbraw/zinc/01/30/31/137013031.db2.gz WDIZQLKCDFKCKK-OAHLLOKOSA-N 2 2 265.401 0.930 20 0 CCADLP CC1CCN(C(=O)C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000261633215 137013032 /nfs/dbraw/zinc/01/30/32/137013032.db2.gz WDIZQLKCDFKCKK-OAHLLOKOSA-N 2 2 265.401 0.930 20 0 CCADLP C[C@@H]([NH3+])CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000261645432 137013430 /nfs/dbraw/zinc/01/34/30/137013430.db2.gz XMLHHVGDVCZVSW-HIFRSBDPSA-N 2 2 291.395 0.741 20 0 CCADLP C[C@@H]([NH3+])CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000261645432 137013431 /nfs/dbraw/zinc/01/34/31/137013431.db2.gz XMLHHVGDVCZVSW-HIFRSBDPSA-N 2 2 291.395 0.741 20 0 CCADLP CCC(CC)[C@@H](C(=O)NC[C@H](C)[NH2+]C)[NH+]1CCOCC1 ZINC000261648571 137013883 /nfs/dbraw/zinc/01/38/83/137013883.db2.gz DXHVJXWEOTXIMA-JSGCOSHPSA-N 2 2 285.432 0.848 20 0 CCADLP COC[C@H]([NH3+])C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000262340689 137039508 /nfs/dbraw/zinc/03/95/08/137039508.db2.gz SSJSOUFGJRJUCK-NSHDSACASA-N 2 2 262.313 0.233 20 0 CCADLP C[C@H](C[NH3+])C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000262460109 137044331 /nfs/dbraw/zinc/04/43/31/137044331.db2.gz XBJLOPVLJAQCKE-SNVBAGLBSA-N 2 2 250.346 0.473 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)C1([NH3+])CCCC1 ZINC000262643023 137048844 /nfs/dbraw/zinc/04/88/44/137048844.db2.gz LVAYPXLSODUQKV-GFCCVEGCSA-N 2 2 268.405 0.010 20 0 CCADLP Cc1ccc([C@H]([NH3+])C(=O)NC[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000262665077 137049602 /nfs/dbraw/zinc/04/96/02/137049602.db2.gz PEDUDSJTIICQPG-HIFRSBDPSA-N 2 2 291.395 0.832 20 0 CCADLP C[NH+](C)C1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000262994082 137057034 /nfs/dbraw/zinc/05/70/34/137057034.db2.gz OCAVILOJTBRQJC-JTQLQIEISA-N 2 2 261.316 0.536 20 0 CCADLP FC(F)n1ccnc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261752183 137018053 /nfs/dbraw/zinc/01/80/53/137018053.db2.gz MYEANCPUZHPBNB-LLVKDONJSA-N 2 2 285.342 0.758 20 0 CCADLP FC(F)n1ccnc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261752183 137018054 /nfs/dbraw/zinc/01/80/54/137018054.db2.gz MYEANCPUZHPBNB-LLVKDONJSA-N 2 2 285.342 0.758 20 0 CCADLP C[C@]1(C[N@@H+]2CCCC[C@@H](S(C)(=O)=O)C2)CC[NH2+]C1 ZINC000261761618 137018876 /nfs/dbraw/zinc/01/88/76/137018876.db2.gz LKHBWBWKEKCKTB-OLZOCXBDSA-N 2 2 274.430 0.885 20 0 CCADLP C[C@]1(C[N@H+]2CCCC[C@@H](S(C)(=O)=O)C2)CC[NH2+]C1 ZINC000261761618 137018877 /nfs/dbraw/zinc/01/88/77/137018877.db2.gz LKHBWBWKEKCKTB-OLZOCXBDSA-N 2 2 274.430 0.885 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000261847482 137022282 /nfs/dbraw/zinc/02/22/82/137022282.db2.gz OLQLLVCNDIGSIO-CQSZACIVSA-N 3 2 296.459 0.518 20 0 CCADLP C[C@H](CNC(=O)CC[C@@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000261904528 137025352 /nfs/dbraw/zinc/02/53/52/137025352.db2.gz ZTTXXCWCVXCBQS-CHWSQXEVSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@]1(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CC[NH2+]C1 ZINC000261922319 137026072 /nfs/dbraw/zinc/02/60/72/137026072.db2.gz BTKZHKCTTRZEEO-GJZGRUSLSA-N 3 2 267.417 0.640 20 0 CCADLP CC[C@@H]1CN(Cc2noc(C[NH3+])n2)CC[N@@H+]1CCOC ZINC000262263904 137033706 /nfs/dbraw/zinc/03/37/06/137033706.db2.gz RQVBCYPXMPSKEW-LLVKDONJSA-N 2 2 283.376 0.071 20 0 CCADLP CC[C@@H]1CN(Cc2noc(C[NH3+])n2)CC[N@H+]1CCOC ZINC000262263904 137033707 /nfs/dbraw/zinc/03/37/07/137033707.db2.gz RQVBCYPXMPSKEW-LLVKDONJSA-N 2 2 283.376 0.071 20 0 CCADLP CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)C[C@H]1CCCO1 ZINC000311126598 137073953 /nfs/dbraw/zinc/07/39/53/137073953.db2.gz YUVIVFVQTIXCFM-ZIAGYGMSSA-N 2 2 256.390 0.942 20 0 CCADLP CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C[C@H]1CCCO1 ZINC000311126598 137073954 /nfs/dbraw/zinc/07/39/54/137073954.db2.gz YUVIVFVQTIXCFM-ZIAGYGMSSA-N 2 2 256.390 0.942 20 0 CCADLP CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)C[C@H]1CCCO1 ZINC000311126598 137073955 /nfs/dbraw/zinc/07/39/55/137073955.db2.gz YUVIVFVQTIXCFM-ZIAGYGMSSA-N 2 2 256.390 0.942 20 0 CCADLP CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C[C@H]1CCCO1 ZINC000311126598 137073956 /nfs/dbraw/zinc/07/39/56/137073956.db2.gz YUVIVFVQTIXCFM-ZIAGYGMSSA-N 2 2 256.390 0.942 20 0 CCADLP [NH3+]CC[N@H+](CCO)Cc1ccc(-n2cccn2)cc1 ZINC000342386062 137090691 /nfs/dbraw/zinc/09/06/91/137090691.db2.gz LDZVCROVDBBIHO-UHFFFAOYSA-N 2 2 260.341 0.625 20 0 CCADLP [NH3+]CC[N@@H+](CCO)Cc1ccc(-n2cccn2)cc1 ZINC000342386062 137090692 /nfs/dbraw/zinc/09/06/92/137090692.db2.gz LDZVCROVDBBIHO-UHFFFAOYSA-N 2 2 260.341 0.625 20 0 CCADLP [NH3+]CC[N@H+](CCO)CCOc1ccccc1Cl ZINC000342402328 137091685 /nfs/dbraw/zinc/09/16/85/137091685.db2.gz PMISTPDMGIOTMA-UHFFFAOYSA-N 2 2 258.749 0.972 20 0 CCADLP [NH3+]CC[N@@H+](CCO)CCOc1ccccc1Cl ZINC000342402328 137091686 /nfs/dbraw/zinc/09/16/86/137091686.db2.gz PMISTPDMGIOTMA-UHFFFAOYSA-N 2 2 258.749 0.972 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000342486008 137096822 /nfs/dbraw/zinc/09/68/22/137096822.db2.gz GAWBOKKBPOKEEV-IXXDHKBRSA-N 2 2 295.427 0.791 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000342486008 137096823 /nfs/dbraw/zinc/09/68/23/137096823.db2.gz GAWBOKKBPOKEEV-IXXDHKBRSA-N 2 2 295.427 0.791 20 0 CCADLP CC[NH+]1CCOC[C@H]1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000342486008 137096824 /nfs/dbraw/zinc/09/68/24/137096824.db2.gz GAWBOKKBPOKEEV-IXXDHKBRSA-N 2 2 295.427 0.791 20 0 CCADLP CC[NH+]1CCOC[C@H]1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000342486008 137096825 /nfs/dbraw/zinc/09/68/25/137096825.db2.gz GAWBOKKBPOKEEV-IXXDHKBRSA-N 2 2 295.427 0.791 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+]CCC[NH+](C)C)CC1 ZINC000342542071 137099428 /nfs/dbraw/zinc/09/94/28/137099428.db2.gz NSEWNQCZEHWXFS-UHFFFAOYSA-N 3 2 285.432 0.945 20 0 CCADLP CCc1nc(N2CC[N@H+](CCO)[C@@H](C)C2)cc(C)[nH+]1 ZINC000343025683 137110518 /nfs/dbraw/zinc/11/05/18/137110518.db2.gz FWSRVFXMEKWMTR-LBPRGKRZSA-N 2 2 264.373 0.850 20 0 CCADLP CCc1nc(N2CC[N@@H+](CCO)[C@@H](C)C2)cc(C)[nH+]1 ZINC000343025683 137110519 /nfs/dbraw/zinc/11/05/19/137110519.db2.gz FWSRVFXMEKWMTR-LBPRGKRZSA-N 2 2 264.373 0.850 20 0 CCADLP COC(=O)C[N@H+](CCN1CC[NH+](C)CC1)C[C@H]1C[C@H]1C ZINC000343628842 137146686 /nfs/dbraw/zinc/14/66/86/137146686.db2.gz XLYAVCJBJSRSGS-ZIAGYGMSSA-N 2 2 283.416 0.365 20 0 CCADLP COC(=O)C[N@@H+](CCN1CC[NH+](C)CC1)C[C@H]1C[C@H]1C ZINC000343628842 137146687 /nfs/dbraw/zinc/14/66/87/137146687.db2.gz XLYAVCJBJSRSGS-ZIAGYGMSSA-N 2 2 283.416 0.365 20 0 CCADLP C[N@H+](CCc1ccccc1O)CC(=O)N1CC[NH+](C)CC1 ZINC000344162022 137180823 /nfs/dbraw/zinc/18/08/23/137180823.db2.gz HBOHFGYJXAHFGT-UHFFFAOYSA-N 2 2 291.395 0.641 20 0 CCADLP C[N@@H+](CCc1ccccc1O)CC(=O)N1CC[NH+](C)CC1 ZINC000344162022 137180824 /nfs/dbraw/zinc/18/08/24/137180824.db2.gz HBOHFGYJXAHFGT-UHFFFAOYSA-N 2 2 291.395 0.641 20 0 CCADLP Cc1c[nH+]c(N[C@H](C)C[NH+](C)C)nc1N[C@@H](C)C[NH+](C)C ZINC000343803118 137158383 /nfs/dbraw/zinc/15/83/83/137158383.db2.gz HYKNHMYAZAYJDD-QWHCGFSZSA-N 3 2 294.447 0.931 20 0 CCADLP COc1cncc(C[N@H+](C)C2CC[NH+](CCO)CC2)c1 ZINC000343948019 137169412 /nfs/dbraw/zinc/16/94/12/137169412.db2.gz CLOMIGDNGQWHNO-UHFFFAOYSA-N 2 2 279.384 0.979 20 0 CCADLP COc1cncc(C[N@@H+](C)C2CC[NH+](CCO)CC2)c1 ZINC000343948019 137169413 /nfs/dbraw/zinc/16/94/13/137169413.db2.gz CLOMIGDNGQWHNO-UHFFFAOYSA-N 2 2 279.384 0.979 20 0 CCADLP COC[C@@](C)([NH2+]CCCn1cc[nH+]c1C)C(=O)OC ZINC000273319050 192110814 /nfs/dbraw/zinc/11/08/14/192110814.db2.gz PASRQSZCGAOKOR-CYBMUJFWSA-N 2 2 269.345 0.749 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)[C@@H]1[NH2+]CCO[C@H]1C ZINC000344470220 137196168 /nfs/dbraw/zinc/19/61/68/137196168.db2.gz GNCDYMCSWWSFKK-CMPLNLGQSA-N 2 2 266.345 0.075 20 0 CCADLP CNC(=O)C[C@@H](C)[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000344477834 137196516 /nfs/dbraw/zinc/19/65/16/137196516.db2.gz PONKIIRLNBQHGZ-UPJWGTAASA-N 2 2 271.405 0.600 20 0 CCADLP CNC(=O)C[C@@H](C)[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000344477834 137196517 /nfs/dbraw/zinc/19/65/17/137196517.db2.gz PONKIIRLNBQHGZ-UPJWGTAASA-N 2 2 271.405 0.600 20 0 CCADLP O=C([C@H]1CCCC[NH2+]1)N1CCN(c2cccc[nH+]2)CC1 ZINC000019412189 348060757 /nfs/dbraw/zinc/06/07/57/348060757.db2.gz QBKUIWHROWRCOL-CYBMUJFWSA-N 2 2 274.368 0.872 20 0 CCADLP CC(C)CC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000339410871 215155943 /nfs/dbraw/zinc/15/59/43/215155943.db2.gz YFXCGWGYFQENHG-ZDUSSCGKSA-N 2 2 253.390 0.929 20 0 CCADLP CC(C)CC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000339410871 215155945 /nfs/dbraw/zinc/15/59/45/215155945.db2.gz YFXCGWGYFQENHG-ZDUSSCGKSA-N 2 2 253.390 0.929 20 0 CCADLP O=C(C1CC[NH2+]CC1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000037802766 348206134 /nfs/dbraw/zinc/20/61/34/348206134.db2.gz ODCHPUZYEAPAQN-UHFFFAOYSA-N 2 2 288.395 0.725 20 0 CCADLP O=C(C1CC[NH2+]CC1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000037818438 348210274 /nfs/dbraw/zinc/21/02/74/348210274.db2.gz VRCBZNNRWQIDGI-UHFFFAOYSA-N 2 2 288.395 0.725 20 0 CCADLP C[C@H]1CN(c2cccc[nH+]2)C[C@@H]1C(=O)NCC[NH+]1CCC1 ZINC000345897373 137258404 /nfs/dbraw/zinc/25/84/04/137258404.db2.gz ZZEWQMTYKIBBDG-KBPBESRZSA-N 2 2 288.395 0.976 20 0 CCADLP [NH3+][C@@H](CC(F)F)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000345749296 137249979 /nfs/dbraw/zinc/24/99/79/137249979.db2.gz SSDAACHTOANHCI-JTQLQIEISA-N 2 2 282.294 0.976 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000346358776 137280880 /nfs/dbraw/zinc/28/08/80/137280880.db2.gz PEIOAOTYQLYSIY-KFWWJZLASA-N 2 2 296.459 0.469 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000346358776 137280881 /nfs/dbraw/zinc/28/08/81/137280881.db2.gz PEIOAOTYQLYSIY-KFWWJZLASA-N 2 2 296.459 0.469 20 0 CCADLP CN(C)c1ccc(CNC(=O)NCCn2cc[nH+]c2)c[nH+]1 ZINC000043311326 348306711 /nfs/dbraw/zinc/30/67/11/348306711.db2.gz CXODKYTUWMWVLE-UHFFFAOYSA-N 2 2 288.355 0.844 20 0 CCADLP COC(=O)CCn1nc(C)c(C[NH+]2CCC([NH3+])CC2)c1C ZINC000346639543 137296236 /nfs/dbraw/zinc/29/62/36/137296236.db2.gz JFQQIQLFTSXPQD-UHFFFAOYSA-N 2 2 294.399 0.986 20 0 CCADLP C[C@H]1C[N@H+](CCn2cc[nH+]c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000346188669 137272021 /nfs/dbraw/zinc/27/20/21/137272021.db2.gz MXFLXGULBUDWJK-HOTGVXAUSA-N 3 2 291.443 0.841 20 0 CCADLP C[C@H]1C[N@@H+](CCn2cc[nH+]c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000346188669 137272022 /nfs/dbraw/zinc/27/20/22/137272022.db2.gz MXFLXGULBUDWJK-HOTGVXAUSA-N 3 2 291.443 0.841 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]Cc1cccc2c[nH]nc21 ZINC000346207524 137272898 /nfs/dbraw/zinc/27/28/98/137272898.db2.gz DFVRJYZBEALWTM-UHFFFAOYSA-N 2 2 262.357 0.967 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]Cc1cccc2c[nH]nc21 ZINC000346207524 137272899 /nfs/dbraw/zinc/27/28/99/137272899.db2.gz DFVRJYZBEALWTM-UHFFFAOYSA-N 2 2 262.357 0.967 20 0 CCADLP CC(C)[C@@H](C[NH3+])C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000044806184 348326536 /nfs/dbraw/zinc/32/65/36/348326536.db2.gz DYYPKZZOTXGGNG-NWDGAFQWSA-N 2 2 257.378 0.054 20 0 CCADLP Cc1cnn(C[C@H]2C[N@H+](C[C@@H]3CCC[NH2+]C3)CCO2)c1 ZINC000346847603 137308029 /nfs/dbraw/zinc/30/80/29/137308029.db2.gz DHKBJSZVRWUZBQ-HUUCEWRRSA-N 2 2 278.400 0.892 20 0 CCADLP Cc1cnn(C[C@H]2C[N@@H+](C[C@@H]3CCC[NH2+]C3)CCO2)c1 ZINC000346847603 137308030 /nfs/dbraw/zinc/30/80/30/137308030.db2.gz DHKBJSZVRWUZBQ-HUUCEWRRSA-N 2 2 278.400 0.892 20 0 CCADLP CC[C@H]1C[N@H+](CC(=O)NC2CC[NH+](CC)CC2)CCO1 ZINC000046513279 348358683 /nfs/dbraw/zinc/35/86/83/348358683.db2.gz UZBMDNPDPAFASN-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@H]1C[N@@H+](CC(=O)NC2CC[NH+](CC)CC2)CCO1 ZINC000046513279 348358694 /nfs/dbraw/zinc/35/86/94/348358694.db2.gz UZBMDNPDPAFASN-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000048393266 348407898 /nfs/dbraw/zinc/40/78/98/348407898.db2.gz KDOXQQJUAIDWKQ-UHFFFAOYSA-N 2 2 271.324 0.627 20 0 CCADLP CC(C)([NH3+])C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000347479316 137338475 /nfs/dbraw/zinc/33/84/75/137338475.db2.gz PZQJOCJAOLIHKK-UHFFFAOYSA-N 2 2 278.356 0.272 20 0 CCADLP CC[NH+]1CCC(NCC[N@@H+]2CCCOCC2)CC1 ZINC000349420824 137393448 /nfs/dbraw/zinc/39/34/48/137393448.db2.gz SAKXYHYAOASEPT-UHFFFAOYSA-N 2 2 255.406 0.783 20 0 CCADLP CC[NH+]1CCC(NCC[N@H+]2CCCOCC2)CC1 ZINC000349420824 137393449 /nfs/dbraw/zinc/39/34/49/137393449.db2.gz SAKXYHYAOASEPT-UHFFFAOYSA-N 2 2 255.406 0.783 20 0 CCADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000347773892 137356252 /nfs/dbraw/zinc/35/62/52/137356252.db2.gz GESQKPPKJKNTHP-ZDUSSCGKSA-N 2 2 291.395 0.986 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000347792147 137357476 /nfs/dbraw/zinc/35/74/76/137357476.db2.gz BUORKSYSIPCVRN-UKRRQHHQSA-N 3 2 268.449 0.552 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000347792147 137357477 /nfs/dbraw/zinc/35/74/77/137357477.db2.gz BUORKSYSIPCVRN-UKRRQHHQSA-N 3 2 268.449 0.552 20 0 CCADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CS(=O)(=O)CCO1 ZINC000348136502 137373991 /nfs/dbraw/zinc/37/39/91/137373991.db2.gz NZRXCDCNSZJIFM-AWEZNQCLSA-N 2 2 298.408 0.726 20 0 CCADLP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@H]1CCC[NH2+]C1 ZINC000050162625 348469431 /nfs/dbraw/zinc/46/94/31/348469431.db2.gz BDOZVTWUEGDOST-NEPJUHHUSA-N 2 2 250.346 0.778 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnccn1 ZINC000058970653 348635953 /nfs/dbraw/zinc/63/59/53/348635953.db2.gz JNJAUONJTQFXPJ-UHFFFAOYSA-N 2 2 291.399 0.575 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnccn1 ZINC000058970653 348635956 /nfs/dbraw/zinc/63/59/56/348635956.db2.gz JNJAUONJTQFXPJ-UHFFFAOYSA-N 2 2 291.399 0.575 20 0 CCADLP CNC(=O)NC(=O)CC[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063190099 348682720 /nfs/dbraw/zinc/68/27/20/348682720.db2.gz AXLSQKGNZCTYCR-RYUDHWBXSA-N 2 2 282.388 0.439 20 0 CCADLP CNC(=O)NC(=O)CC[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063190099 348682724 /nfs/dbraw/zinc/68/27/24/348682724.db2.gz AXLSQKGNZCTYCR-RYUDHWBXSA-N 2 2 282.388 0.439 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H](C)CO1 ZINC000064508586 348701413 /nfs/dbraw/zinc/70/14/13/348701413.db2.gz WIICCKPKEALYOI-QWHCGFSZSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H](C)CO1 ZINC000064508586 348701414 /nfs/dbraw/zinc/70/14/14/348701414.db2.gz WIICCKPKEALYOI-QWHCGFSZSA-N 2 2 295.427 0.839 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2ncc[nH]2)C1 ZINC000066593928 348749635 /nfs/dbraw/zinc/74/96/35/348749635.db2.gz MZMKJAJOSWMVDN-LLVKDONJSA-N 2 2 265.361 0.087 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2ncc[nH]2)C1 ZINC000066593928 348749639 /nfs/dbraw/zinc/74/96/39/348749639.db2.gz MZMKJAJOSWMVDN-LLVKDONJSA-N 2 2 265.361 0.087 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+](CCCNCc2[nH]cc[nH+]2)C1 ZINC000066593928 348749642 /nfs/dbraw/zinc/74/96/42/348749642.db2.gz MZMKJAJOSWMVDN-LLVKDONJSA-N 2 2 265.361 0.087 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+](CCCNCc2[nH]cc[nH+]2)C1 ZINC000066593928 348749647 /nfs/dbraw/zinc/74/96/47/348749647.db2.gz MZMKJAJOSWMVDN-LLVKDONJSA-N 2 2 265.361 0.087 20 0 CCADLP O=S1(=O)CCC[C@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000069135657 348832752 /nfs/dbraw/zinc/83/27/52/348832752.db2.gz WNSOFULHIYKNJS-NSHDSACASA-N 2 2 257.359 0.440 20 0 CCADLP C[NH+](C)Cc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000069181985 348835790 /nfs/dbraw/zinc/83/57/90/348835790.db2.gz ONMXPLKAVHRXCN-UHFFFAOYSA-N 2 2 291.395 0.810 20 0 CCADLP CC(C)(O)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069802558 348861518 /nfs/dbraw/zinc/86/15/18/348861518.db2.gz ULWMIMWRWUMOHJ-CYBMUJFWSA-N 2 2 256.390 0.802 20 0 CCADLP CC(C)(O)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069802558 348861520 /nfs/dbraw/zinc/86/15/20/348861520.db2.gz ULWMIMWRWUMOHJ-CYBMUJFWSA-N 2 2 256.390 0.802 20 0 CCADLP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C(=O)N(C)C ZINC000070143037 348873540 /nfs/dbraw/zinc/87/35/40/348873540.db2.gz ZIJKHXMGOCWLFZ-VIFPVBQESA-N 2 2 253.350 0.052 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000070253017 348881594 /nfs/dbraw/zinc/88/15/94/348881594.db2.gz QSVUWFZWMKKGMI-OLZOCXBDSA-N 2 2 281.400 0.213 20 0 CCADLP Cn1cc[nH+]c1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000071089335 348904140 /nfs/dbraw/zinc/90/41/40/348904140.db2.gz FCAVDXRVYXHSBO-CYBMUJFWSA-N 2 2 264.373 0.717 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)NCCCOC)C1 ZINC000076004138 349063103 /nfs/dbraw/zinc/06/31/03/349063103.db2.gz PSLGXKQYMXQKLX-CQSZACIVSA-N 2 2 285.432 0.803 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)NCCCOC)C1 ZINC000076004138 349063106 /nfs/dbraw/zinc/06/31/06/349063106.db2.gz PSLGXKQYMXQKLX-CQSZACIVSA-N 2 2 285.432 0.803 20 0 CCADLP CC[N@H+](C)CCNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000120746020 350002771 /nfs/dbraw/zinc/00/27/71/350002771.db2.gz XVTPGKYPBLFXOY-UHFFFAOYSA-N 2 2 286.420 0.348 20 0 CCADLP CC[N@@H+](C)CCNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000120746020 350002775 /nfs/dbraw/zinc/00/27/75/350002775.db2.gz XVTPGKYPBLFXOY-UHFFFAOYSA-N 2 2 286.420 0.348 20 0 CCADLP CC(C)[C@@H](C[NH3+])C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000087524910 349351316 /nfs/dbraw/zinc/35/13/16/349351316.db2.gz WEWVDJWGXIFXPW-OAHLLOKOSA-N 2 2 290.411 0.957 20 0 CCADLP CCc1nsc(N2CC[NH+](CCC[NH3+])CC2)n1 ZINC000087639558 349352218 /nfs/dbraw/zinc/35/22/18/349352218.db2.gz FKFVWUWJMRBOBX-UHFFFAOYSA-N 2 2 255.391 0.571 20 0 CCADLP CSCC[C@@H]([NH3+])C(=O)NCCCn1cc[nH+]c1 ZINC000083417144 349305339 /nfs/dbraw/zinc/30/53/39/349305339.db2.gz VUYHFQQCRUSWEE-SNVBAGLBSA-N 2 2 256.375 0.470 20 0 CCADLP CCN(CC)C(=O)[C@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926892 349412601 /nfs/dbraw/zinc/41/26/01/349412601.db2.gz CXSBFCHKRSJREH-ZDUSSCGKSA-N 2 2 293.415 0.799 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000121748425 350054542 /nfs/dbraw/zinc/05/45/42/350054542.db2.gz FNIBLPIVCXJHIN-GFCCVEGCSA-N 2 2 280.372 0.489 20 0 CCADLP COC(=O)CC[N@H+]1CCN(Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000121748425 350054544 /nfs/dbraw/zinc/05/45/44/350054544.db2.gz FNIBLPIVCXJHIN-GFCCVEGCSA-N 2 2 280.372 0.489 20 0 CCADLP C[N@@H+]1CCN(C(=O)COc2ccccc2)[C@@H](C[NH3+])C1 ZINC000122556224 350065732 /nfs/dbraw/zinc/06/57/32/350065732.db2.gz XNBOJDOYPUZDQF-LBPRGKRZSA-N 2 2 263.341 0.167 20 0 CCADLP C[N@H+]1CCN(C(=O)COc2ccccc2)[C@@H](C[NH3+])C1 ZINC000122556224 350065734 /nfs/dbraw/zinc/06/57/34/350065734.db2.gz XNBOJDOYPUZDQF-LBPRGKRZSA-N 2 2 263.341 0.167 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2ccc(Cl)cc2)[C@@H](C[NH3+])C1 ZINC000122572013 350066978 /nfs/dbraw/zinc/06/69/78/350066978.db2.gz AVEPJKOVABHGFS-ZDUSSCGKSA-N 2 2 281.787 0.984 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2ccc(Cl)cc2)[C@@H](C[NH3+])C1 ZINC000122572013 350066982 /nfs/dbraw/zinc/06/69/82/350066982.db2.gz AVEPJKOVABHGFS-ZDUSSCGKSA-N 2 2 281.787 0.984 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2cccc(F)c2)[C@@H](C[NH3+])C1 ZINC000122609048 350067051 /nfs/dbraw/zinc/06/70/51/350067051.db2.gz AIEUPZGXKSEZDM-ZDUSSCGKSA-N 2 2 265.332 0.470 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2cccc(F)c2)[C@@H](C[NH3+])C1 ZINC000122609048 350067054 /nfs/dbraw/zinc/06/70/54/350067054.db2.gz AIEUPZGXKSEZDM-ZDUSSCGKSA-N 2 2 265.332 0.470 20 0 CCADLP CC(C)[C@H](C(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1)[NH+](C)C ZINC000124483351 350099684 /nfs/dbraw/zinc/09/96/84/350099684.db2.gz CJCYPMMGOIRVFN-RWMBFGLXSA-N 2 2 269.389 0.114 20 0 CCADLP CC(C)[C@H](C(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1)[NH+](C)C ZINC000124483351 350099686 /nfs/dbraw/zinc/09/96/86/350099686.db2.gz CJCYPMMGOIRVFN-RWMBFGLXSA-N 2 2 269.389 0.114 20 0 CCADLP COc1ccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])c(OC)c1 ZINC000124259426 350093010 /nfs/dbraw/zinc/09/30/10/350093010.db2.gz WJEWYRDINCOZPG-CYBMUJFWSA-N 2 2 279.384 0.779 20 0 CCADLP COc1ccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])c(OC)c1 ZINC000124259426 350093012 /nfs/dbraw/zinc/09/30/12/350093012.db2.gz WJEWYRDINCOZPG-CYBMUJFWSA-N 2 2 279.384 0.779 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124342427 350096474 /nfs/dbraw/zinc/09/64/74/350096474.db2.gz DPHZPPGLFKYVBA-GFCCVEGCSA-N 2 2 295.387 0.828 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124342427 350096477 /nfs/dbraw/zinc/09/64/77/350096477.db2.gz DPHZPPGLFKYVBA-GFCCVEGCSA-N 2 2 295.387 0.828 20 0 CCADLP Cc1cc(N2CC[C@@H](OCC[NH+](C)C)C2)nc[nH+]1 ZINC000339681071 215297799 /nfs/dbraw/zinc/29/77/99/215297799.db2.gz DREBRAUDNDEJOT-GFCCVEGCSA-N 2 2 250.346 0.942 20 0 CCADLP CNC(=O)CC[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000125744607 350128213 /nfs/dbraw/zinc/12/82/13/350128213.db2.gz NPIIFZZZNNOWII-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP CNC(=O)CC[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000125744607 350128216 /nfs/dbraw/zinc/12/82/16/350128216.db2.gz NPIIFZZZNNOWII-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H](O)CNc1cc(NCC[NH+]2CCCCC2)nc[nH+]1 ZINC000413050768 233316973 /nfs/dbraw/zinc/31/69/73/233316973.db2.gz DVIILYCFTJOILY-GFCCVEGCSA-N 2 2 279.388 0.589 20 0 CCADLP CC[NH+]1CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000105302238 186050992 /nfs/dbraw/zinc/05/09/92/186050992.db2.gz RBWNYGIVWGDHHR-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000130314077 350235177 /nfs/dbraw/zinc/23/51/77/350235177.db2.gz QRNWLAVYBMMIOD-DGCLKSJQSA-N 2 2 292.383 0.660 20 0 CCADLP CCN(C)C(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000130413049 350236713 /nfs/dbraw/zinc/23/67/13/350236713.db2.gz LUYNHGUCGUREAO-OAHLLOKOSA-N 2 2 297.443 0.899 20 0 CCADLP CCN(C)C(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000130413049 350236717 /nfs/dbraw/zinc/23/67/17/350236717.db2.gz LUYNHGUCGUREAO-OAHLLOKOSA-N 2 2 297.443 0.899 20 0 CCADLP CC[NH+](CC)[C@@H]1CCN(c2nc[nH+]c(N)c2OC)C1 ZINC000134886014 350378521 /nfs/dbraw/zinc/37/85/21/350378521.db2.gz BYWLCDBYTSLOHA-SNVBAGLBSA-N 2 2 265.361 0.988 20 0 CCADLP C[C@H]1CC[N@H+](CCS(C)(=O)=O)C[C@@H]1n1cc[nH+]c1 ZINC000136083156 350414501 /nfs/dbraw/zinc/41/45/01/350414501.db2.gz HLTBESMAWWMEID-RYUDHWBXSA-N 2 2 271.386 0.811 20 0 CCADLP C[C@H]1CC[N@@H+](CCS(C)(=O)=O)C[C@@H]1n1cc[nH+]c1 ZINC000136083156 350414502 /nfs/dbraw/zinc/41/45/02/350414502.db2.gz HLTBESMAWWMEID-RYUDHWBXSA-N 2 2 271.386 0.811 20 0 CCADLP CC1CC[NH+](CC(=O)N(C)CC[NH+]2CCOCC2)CC1 ZINC000136250740 350418743 /nfs/dbraw/zinc/41/87/43/350418743.db2.gz FJSPBYUBAAJGEZ-UHFFFAOYSA-N 2 2 283.416 0.509 20 0 CCADLP C[C@]([NH3+])(C(=O)NCCc1[nH]cc[nH+]1)c1ccccc1 ZINC000139603732 350447943 /nfs/dbraw/zinc/44/79/43/350447943.db2.gz LJYSUKOCGGLUTH-CQSZACIVSA-N 2 2 258.325 0.943 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000151434944 350501962 /nfs/dbraw/zinc/50/19/62/350501962.db2.gz NJZBMQMCCFICAH-CYBMUJFWSA-N 2 2 294.399 0.530 20 0 CCADLP COCC[N@@H+](C)CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000151434944 350501964 /nfs/dbraw/zinc/50/19/64/350501964.db2.gz NJZBMQMCCFICAH-CYBMUJFWSA-N 2 2 294.399 0.530 20 0 CCADLP COc1ccc(C[NH+]2CCN(C(=O)CC[NH3+])CC2)cc1F ZINC000107271628 186164859 /nfs/dbraw/zinc/16/48/59/186164859.db2.gz DWGQRQCULUGALC-UHFFFAOYSA-N 2 2 295.358 0.827 20 0 CCADLP Cc1cccn2c(=O)cc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)nc12 ZINC000107855585 186195557 /nfs/dbraw/zinc/19/55/57/186195557.db2.gz UHZRQDJJJBTPGC-BETUJISGSA-N 2 2 284.363 0.654 20 0 CCADLP Cc1cccn2c(=O)cc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)nc12 ZINC000107855585 186195558 /nfs/dbraw/zinc/19/55/58/186195558.db2.gz UHZRQDJJJBTPGC-BETUJISGSA-N 2 2 284.363 0.654 20 0 CCADLP C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152406573 350526509 /nfs/dbraw/zinc/52/65/09/350526509.db2.gz HUTMFVFSBQJXCJ-ZNMIVQPWSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H](C(=O)NC[C@@H]1CCCO1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152406573 350526511 /nfs/dbraw/zinc/52/65/11/350526511.db2.gz HUTMFVFSBQJXCJ-ZNMIVQPWSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H](C(=O)NC[C@@H]1CCCO1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152406573 350526512 /nfs/dbraw/zinc/52/65/12/350526512.db2.gz HUTMFVFSBQJXCJ-ZNMIVQPWSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H](C(=O)NC[C@@H]1CCCO1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152406573 350526515 /nfs/dbraw/zinc/52/65/15/350526515.db2.gz HUTMFVFSBQJXCJ-ZNMIVQPWSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000154992411 350606275 /nfs/dbraw/zinc/60/62/75/350606275.db2.gz STJLNBVIXPCKQT-ILXRZTDVSA-N 3 2 268.449 0.552 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)[C@H]1[NH2+]CCc2ccccc21 ZINC000157265049 350641954 /nfs/dbraw/zinc/64/19/54/350641954.db2.gz UASNYFOFSFWTRP-AWEZNQCLSA-N 2 2 270.336 0.955 20 0 CCADLP NC(=O)[C@H]1CCCC[NH+]1CCC[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000157328180 350642994 /nfs/dbraw/zinc/64/29/94/350642994.db2.gz JABZKSSYSUVNCB-CHWSQXEVSA-N 2 2 296.415 0.056 20 0 CCADLP O=C(CC[NH+]1CCC(n2cc[nH+]c2)CC1)N1CCOCC1 ZINC000109794618 186272367 /nfs/dbraw/zinc/27/23/67/186272367.db2.gz AAPSBJLGXDVEJS-UHFFFAOYSA-N 2 2 292.383 0.769 20 0 CCADLP O=C(NCCn1cc[nH+]c1)N1CC[NH+](C2CC2)CC1 ZINC000158374682 350658360 /nfs/dbraw/zinc/65/83/60/350658360.db2.gz IOTXJFNNEOUENJ-UHFFFAOYSA-N 2 2 263.345 0.373 20 0 CCADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000163962627 350775447 /nfs/dbraw/zinc/77/54/47/350775447.db2.gz ZAOJPJWLTLFXNE-UPJWGTAASA-N 2 2 274.368 0.798 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000164942021 350784786 /nfs/dbraw/zinc/78/47/86/350784786.db2.gz QHAPVQLUHXCBET-GFCCVEGCSA-N 2 2 262.357 0.906 20 0 CCADLP C[NH+](C)CC(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000171361461 350904140 /nfs/dbraw/zinc/90/41/40/350904140.db2.gz GKSCBRGEUBBKSR-UHFFFAOYSA-N 2 2 277.372 0.334 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)NCCn1cc[nH+]c1 ZINC000171094192 350885291 /nfs/dbraw/zinc/88/52/91/350885291.db2.gz PCRRXGCQYOWJLY-UHFFFAOYSA-N 2 2 295.387 0.293 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)NCCn1cc[nH+]c1 ZINC000171094192 350885294 /nfs/dbraw/zinc/88/52/94/350885294.db2.gz PCRRXGCQYOWJLY-UHFFFAOYSA-N 2 2 295.387 0.293 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](COC)C2)CC1 ZINC000171997860 350950422 /nfs/dbraw/zinc/95/04/22/350950422.db2.gz NUMSQCROQVXWMD-GJZGRUSLSA-N 2 2 297.443 0.897 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](COC)C2)CC1 ZINC000171997860 350950424 /nfs/dbraw/zinc/95/04/24/350950424.db2.gz NUMSQCROQVXWMD-GJZGRUSLSA-N 2 2 297.443 0.897 20 0 CCADLP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000172939904 351017707 /nfs/dbraw/zinc/01/77/07/351017707.db2.gz PWLFCEHGQOVORM-SOUVJXGZSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000172939904 351017710 /nfs/dbraw/zinc/01/77/10/351017710.db2.gz PWLFCEHGQOVORM-SOUVJXGZSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]1C[NH+](CCOCC[N@@H+]2CCO[C@@H](C)C2)CCO1 ZINC000178592759 351235238 /nfs/dbraw/zinc/23/52/38/351235238.db2.gz ZESXWPZNZHLOCJ-OKILXGFUSA-N 2 2 272.389 0.444 20 0 CCADLP C[C@@H]1C[NH+](CCOCC[N@H+]2CCO[C@@H](C)C2)CCO1 ZINC000178592759 351235240 /nfs/dbraw/zinc/23/52/40/351235240.db2.gz ZESXWPZNZHLOCJ-OKILXGFUSA-N 2 2 272.389 0.444 20 0 CCADLP C[C@@H]1C[N@H+](CCOCC[NH+]2CCO[C@@H](C)C2)CCO1 ZINC000178592759 351235242 /nfs/dbraw/zinc/23/52/42/351235242.db2.gz ZESXWPZNZHLOCJ-OKILXGFUSA-N 2 2 272.389 0.444 20 0 CCADLP C[C@@H]1C[N@@H+](CCOCC[NH+]2CCO[C@@H](C)C2)CCO1 ZINC000178592759 351235244 /nfs/dbraw/zinc/23/52/44/351235244.db2.gz ZESXWPZNZHLOCJ-OKILXGFUSA-N 2 2 272.389 0.444 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000178744831 351243507 /nfs/dbraw/zinc/24/35/07/351243507.db2.gz DTMMVJCHFXXQCI-NEPJUHHUSA-N 2 2 271.405 0.587 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000178744831 351243512 /nfs/dbraw/zinc/24/35/12/351243512.db2.gz DTMMVJCHFXXQCI-NEPJUHHUSA-N 2 2 271.405 0.587 20 0 CCADLP CNC(=O)[C@@H]1C[N@H+](CCCCn2cc[nH+]c2C)CCO1 ZINC000184067655 351399673 /nfs/dbraw/zinc/39/96/73/351399673.db2.gz LZJQWXAFWBQSGD-ZDUSSCGKSA-N 2 2 280.372 0.419 20 0 CCADLP CNC(=O)[C@@H]1C[N@@H+](CCCCn2cc[nH+]c2C)CCO1 ZINC000184067655 351399678 /nfs/dbraw/zinc/39/96/78/351399678.db2.gz LZJQWXAFWBQSGD-ZDUSSCGKSA-N 2 2 280.372 0.419 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(CCn2cc[nH+]c2)[C@@H](C)C1 ZINC000182095574 351347642 /nfs/dbraw/zinc/34/76/42/351347642.db2.gz YPGGCHGFKNKAKR-ZDUSSCGKSA-N 2 2 280.372 0.452 20 0 CCADLP COC(=O)CC[N@H+]1CCN(CCn2cc[nH+]c2)[C@@H](C)C1 ZINC000182095574 351347646 /nfs/dbraw/zinc/34/76/46/351347646.db2.gz YPGGCHGFKNKAKR-ZDUSSCGKSA-N 2 2 280.372 0.452 20 0 CCADLP CC[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000185672991 351453787 /nfs/dbraw/zinc/45/37/87/351453787.db2.gz LNFLCIWKVKEDEO-QWHCGFSZSA-N 2 2 253.390 0.881 20 0 CCADLP CC[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000185672991 351453791 /nfs/dbraw/zinc/45/37/91/351453791.db2.gz LNFLCIWKVKEDEO-QWHCGFSZSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000339815736 215348847 /nfs/dbraw/zinc/34/88/47/215348847.db2.gz WGJFSVDBENQZLI-NEPJUHHUSA-N 2 2 257.378 0.164 20 0 CCADLP Cc1cccn2cc(CNC(=O)[C@H]3C[NH2+]CCO3)[nH+]c12 ZINC000188194685 351578608 /nfs/dbraw/zinc/57/86/08/351578608.db2.gz PJBKBQYWQQYZRC-GFCCVEGCSA-N 2 2 274.324 0.247 20 0 CCADLP C[C@@H]1CN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CC[NH2+]1 ZINC000188365708 351589021 /nfs/dbraw/zinc/58/90/21/351589021.db2.gz JHUGFIXDWAWSMA-LLVKDONJSA-N 2 2 271.324 0.701 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123161415 187074878 /nfs/dbraw/zinc/07/48/78/187074878.db2.gz DYMNNXVIBPRULZ-NEPJUHHUSA-N 2 2 284.404 0.637 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123161415 187074879 /nfs/dbraw/zinc/07/48/79/187074879.db2.gz DYMNNXVIBPRULZ-NEPJUHHUSA-N 2 2 284.404 0.637 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123161415 187074880 /nfs/dbraw/zinc/07/48/80/187074880.db2.gz DYMNNXVIBPRULZ-NEPJUHHUSA-N 2 2 284.404 0.637 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123161415 187074881 /nfs/dbraw/zinc/07/48/81/187074881.db2.gz DYMNNXVIBPRULZ-NEPJUHHUSA-N 2 2 284.404 0.637 20 0 CCADLP C[N@@H+]1CCN(C(=O)CC[C@H]2CCCCO2)[C@@H](C[NH3+])C1 ZINC000226612334 352030386 /nfs/dbraw/zinc/03/03/86/352030386.db2.gz YEUXQKGHCMOPOF-QWHCGFSZSA-N 2 2 269.389 0.437 20 0 CCADLP C[N@H+]1CCN(C(=O)CC[C@H]2CCCCO2)[C@@H](C[NH3+])C1 ZINC000226612334 352030387 /nfs/dbraw/zinc/03/03/87/352030387.db2.gz YEUXQKGHCMOPOF-QWHCGFSZSA-N 2 2 269.389 0.437 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000230024406 352100747 /nfs/dbraw/zinc/10/07/47/352100747.db2.gz CHDNYDUZHLHIBO-UHFFFAOYSA-N 2 2 292.383 0.683 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000230024406 352100751 /nfs/dbraw/zinc/10/07/51/352100751.db2.gz CHDNYDUZHLHIBO-UHFFFAOYSA-N 2 2 292.383 0.683 20 0 CCADLP C[C@H](NC(=O)N[C@H]1CC[NH2+]C[C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000417515861 299186467 /nfs/dbraw/zinc/18/64/67/299186467.db2.gz FDUITYUUWCJNON-RFGFWPKPSA-N 2 2 298.431 0.393 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000236782346 352214068 /nfs/dbraw/zinc/21/40/68/352214068.db2.gz UPYPNJKFEIVHNM-VXGBXAGGSA-N 2 2 287.429 0.122 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CSC[NH2+]2)C1 ZINC000236782346 352214071 /nfs/dbraw/zinc/21/40/71/352214071.db2.gz UPYPNJKFEIVHNM-VXGBXAGGSA-N 2 2 287.429 0.122 20 0 CCADLP CCN(CC)c1ccc(CNC(=O)C[NH2+]CCOC)c[nH+]1 ZINC000236906435 352226735 /nfs/dbraw/zinc/22/67/35/352226735.db2.gz MDHRMNSJVCKUFJ-UHFFFAOYSA-N 2 2 294.399 0.780 20 0 CCADLP CC[C@H]([NH3+])C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000236962902 352232834 /nfs/dbraw/zinc/23/28/34/352232834.db2.gz FVLWZYKYPOQOEQ-NSHDSACASA-N 2 2 278.356 0.902 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000237289527 352259212 /nfs/dbraw/zinc/25/92/12/352259212.db2.gz GDFYJGVBLQAUQM-KBPBESRZSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H]1CC12CC[NH2+]CC2)[NH+]1CCOCC1 ZINC000237442215 352264994 /nfs/dbraw/zinc/26/49/94/352264994.db2.gz ZVVOCSLPYYDWRT-MJBXVCDLSA-N 2 2 295.427 0.602 20 0 CCADLP COCC[NH2+]CC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000237205431 352252573 /nfs/dbraw/zinc/25/25/73/352252573.db2.gz WAYYRWMDVCKZNJ-UHFFFAOYSA-N 2 2 292.383 0.534 20 0 CCADLP [NH3+][C@@H](C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1 ZINC000237827329 352284730 /nfs/dbraw/zinc/28/47/30/352284730.db2.gz PAHKDJVLCGHDFA-LSDHHAIUSA-N 2 2 289.379 0.666 20 0 CCADLP [NH3+][C@@H](C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccccc1 ZINC000237827329 352284733 /nfs/dbraw/zinc/28/47/33/352284733.db2.gz PAHKDJVLCGHDFA-LSDHHAIUSA-N 2 2 289.379 0.666 20 0 CCADLP C[C@]1(CNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CCC[NH2+]C1 ZINC000418251744 234039563 /nfs/dbraw/zinc/03/95/63/234039563.db2.gz YCUBPCFGTKCGDI-ABAIWWIYSA-N 2 2 291.399 0.956 20 0 CCADLP C[C@]1(CNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CCC[NH2+]C1 ZINC000418251744 234039568 /nfs/dbraw/zinc/03/95/68/234039568.db2.gz YCUBPCFGTKCGDI-ABAIWWIYSA-N 2 2 291.399 0.956 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)CC1 ZINC000245527995 352327327 /nfs/dbraw/zinc/32/73/27/352327327.db2.gz DMCSUGNXTLNQLM-LSDHHAIUSA-N 3 2 294.443 0.177 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)CC1 ZINC000245527995 352327329 /nfs/dbraw/zinc/32/73/29/352327329.db2.gz DMCSUGNXTLNQLM-LSDHHAIUSA-N 3 2 294.443 0.177 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000245527995 352327331 /nfs/dbraw/zinc/32/73/31/352327331.db2.gz DMCSUGNXTLNQLM-LSDHHAIUSA-N 3 2 294.443 0.177 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000245527995 352327332 /nfs/dbraw/zinc/32/73/32/352327332.db2.gz DMCSUGNXTLNQLM-LSDHHAIUSA-N 3 2 294.443 0.177 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246675830 352378499 /nfs/dbraw/zinc/37/84/99/352378499.db2.gz JRPUJPFDUYFYSH-QWHCGFSZSA-N 2 2 299.415 0.422 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246675830 352378500 /nfs/dbraw/zinc/37/85/00/352378500.db2.gz JRPUJPFDUYFYSH-QWHCGFSZSA-N 2 2 299.415 0.422 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246675830 352378503 /nfs/dbraw/zinc/37/85/03/352378503.db2.gz JRPUJPFDUYFYSH-QWHCGFSZSA-N 2 2 299.415 0.422 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246675830 352378506 /nfs/dbraw/zinc/37/85/06/352378506.db2.gz JRPUJPFDUYFYSH-QWHCGFSZSA-N 2 2 299.415 0.422 20 0 CCADLP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CCO1 ZINC000655419015 412564463 /nfs/dbraw/zinc/56/44/63/412564463.db2.gz JKSFUNICRGEPMA-SDDRHHMPSA-N 2 2 278.356 0.020 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000247973093 352428326 /nfs/dbraw/zinc/42/83/26/352428326.db2.gz JYKXDVAELGOAPF-ZNMIVQPWSA-N 2 2 297.443 0.849 20 0 CCADLP COc1c(C)c[nH+]c(C[N@@H+]2C[C@H](O)C[C@H]2CO)c1C ZINC000248395221 352437577 /nfs/dbraw/zinc/43/75/77/352437577.db2.gz OHSAPIDUXUJFFM-NWDGAFQWSA-N 2 2 266.341 0.635 20 0 CCADLP COc1c(C)c[nH+]c(C[N@H+]2C[C@H](O)C[C@H]2CO)c1C ZINC000248395221 352437579 /nfs/dbraw/zinc/43/75/79/352437579.db2.gz OHSAPIDUXUJFFM-NWDGAFQWSA-N 2 2 266.341 0.635 20 0 CCADLP C[C@H](C(=O)N1CCCCCC1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453284 352514912 /nfs/dbraw/zinc/51/49/12/352514912.db2.gz GFYOWLPBEOYDOJ-RDBSUJKOSA-N 2 2 265.401 0.929 20 0 CCADLP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000252513766 352518355 /nfs/dbraw/zinc/51/83/55/352518355.db2.gz PMUIMDJHVTWQTN-NZEXEKPDSA-N 2 2 269.389 0.147 20 0 CCADLP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000252513766 352518356 /nfs/dbraw/zinc/51/83/56/352518356.db2.gz PMUIMDJHVTWQTN-NZEXEKPDSA-N 2 2 269.389 0.147 20 0 CCADLP C[C@]1(C[N@@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)CC[NH2+]C1 ZINC000262144670 352583215 /nfs/dbraw/zinc/58/32/15/352583215.db2.gz ZLNDFKHRKPBPNK-DYEKYZERSA-N 2 2 251.374 0.729 20 0 CCADLP C[C@]1(C[N@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)CC[NH2+]C1 ZINC000262144670 352583218 /nfs/dbraw/zinc/58/32/18/352583218.db2.gz ZLNDFKHRKPBPNK-DYEKYZERSA-N 2 2 251.374 0.729 20 0 CCADLP C[C@H](C(=O)Nc1cc[nH+]c(N(C)C)c1)N1CC[NH+](C)CC1 ZINC000267264108 352755229 /nfs/dbraw/zinc/75/52/29/352755229.db2.gz QUQBMLQZOGEJQN-GFCCVEGCSA-N 2 2 291.399 0.722 20 0 CCADLP Cn1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000270660310 352964274 /nfs/dbraw/zinc/96/42/74/352964274.db2.gz STZWVQCNADSJCN-CYBMUJFWSA-N 2 2 264.373 0.455 20 0 CCADLP Cn1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000270660310 352964277 /nfs/dbraw/zinc/96/42/77/352964277.db2.gz STZWVQCNADSJCN-CYBMUJFWSA-N 2 2 264.373 0.455 20 0 CCADLP Cc1[nH+]ccn1CCC[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000270941766 353006481 /nfs/dbraw/zinc/00/64/81/353006481.db2.gz YTLSFZOIYLBMKB-LBPRGKRZSA-N 2 2 280.372 0.107 20 0 CCADLP C[NH+]1CCC([N@H+](CCO)Cc2cnc3cnccn23)CC1 ZINC000271004812 353013688 /nfs/dbraw/zinc/01/36/88/353013688.db2.gz MRMUUYBMLXKYNG-UHFFFAOYSA-N 2 2 289.383 0.618 20 0 CCADLP C[NH+]1CCC([N@@H+](CCO)Cc2cnc3cnccn23)CC1 ZINC000271004812 353013690 /nfs/dbraw/zinc/01/36/90/353013690.db2.gz MRMUUYBMLXKYNG-UHFFFAOYSA-N 2 2 289.383 0.618 20 0 CCADLP CNC(=O)CC[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000273637604 353113126 /nfs/dbraw/zinc/11/31/26/353113126.db2.gz TYSDIDLUODBHQC-UHFFFAOYSA-N 2 2 263.345 0.043 20 0 CCADLP C[C@@H]1CN(c2[nH+]cnc3[nH]ccc32)[C@@H](C)C[N@@H+]1CCO ZINC000419004351 234284866 /nfs/dbraw/zinc/28/48/66/234284866.db2.gz OEAVTQUZUIJSOQ-MNOVXSKESA-N 2 2 275.356 0.849 20 0 CCADLP C[C@@H]1CN(c2[nH+]cnc3[nH]ccc32)[C@@H](C)C[N@H+]1CCO ZINC000419004351 234284868 /nfs/dbraw/zinc/28/48/68/234284868.db2.gz OEAVTQUZUIJSOQ-MNOVXSKESA-N 2 2 275.356 0.849 20 0 CCADLP Cc1cc(C[N@H+](C)CCC(=O)N2CC[NH+](C)CC2)no1 ZINC000275307707 353204008 /nfs/dbraw/zinc/20/40/08/353204008.db2.gz QUBJBVBFGBISIU-UHFFFAOYSA-N 2 2 280.372 0.579 20 0 CCADLP Cc1cc(C[N@@H+](C)CCC(=O)N2CC[NH+](C)CC2)no1 ZINC000275307707 353204010 /nfs/dbraw/zinc/20/40/10/353204010.db2.gz QUBJBVBFGBISIU-UHFFFAOYSA-N 2 2 280.372 0.579 20 0 CCADLP Cc1ccccc1[C@H]([NH3+])C(=O)N(C)CC[NH+]1CCOCC1 ZINC000295167342 199382291 /nfs/dbraw/zinc/38/22/91/199382291.db2.gz LBAXGANKRHJCKF-HNNXBMFYSA-N 2 2 291.395 0.785 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC1([NH+]2CCOCC2)CC1 ZINC000278034615 353279436 /nfs/dbraw/zinc/27/94/36/353279436.db2.gz UQIPEBBBQOOCLS-UHFFFAOYSA-N 2 2 278.356 0.254 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000278330585 353294032 /nfs/dbraw/zinc/29/40/32/353294032.db2.gz WGTXHCZGJVXDLW-JTQLQIEISA-N 3 2 275.312 0.570 20 0 CCADLP Cn1cnc2cc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)ccc21 ZINC000271681366 191274183 /nfs/dbraw/zinc/27/41/83/191274183.db2.gz OXJCXTVIXFIOCZ-OAHLLOKOSA-N 2 2 276.384 0.976 20 0 CCADLP COC(=O)C1(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)CC1 ZINC000279732698 353312928 /nfs/dbraw/zinc/31/29/28/353312928.db2.gz JLSXMUDYNVIYGN-UHFFFAOYSA-N 2 2 290.367 0.860 20 0 CCADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655450235 412577410 /nfs/dbraw/zinc/57/74/10/412577410.db2.gz HEGTYYCQALWOJJ-GRYCIOLGSA-N 2 2 262.357 0.641 20 0 CCADLP Cn1nc([C@@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)nc1N ZINC000283972452 353540861 /nfs/dbraw/zinc/54/08/61/353540861.db2.gz IOMPUCFWJTXCBU-NSHDSACASA-N 2 2 275.360 0.821 20 0 CCADLP Cn1nc([C@@H]2CCC[N@H+]2CCCn2cc[nH+]c2)nc1N ZINC000283972452 353540865 /nfs/dbraw/zinc/54/08/65/353540865.db2.gz IOMPUCFWJTXCBU-NSHDSACASA-N 2 2 275.360 0.821 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cn[nH]c1 ZINC000284016623 353543083 /nfs/dbraw/zinc/54/30/83/353543083.db2.gz IONUWBHFSMYJKY-ZYHUDNBSSA-N 2 2 265.361 0.400 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cn[nH]c1 ZINC000284016623 353543087 /nfs/dbraw/zinc/54/30/87/353543087.db2.gz IONUWBHFSMYJKY-ZYHUDNBSSA-N 2 2 265.361 0.400 20 0 CCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000556713889 291000909 /nfs/dbraw/zinc/00/09/09/291000909.db2.gz XACDSPDLOURVLJ-VXGBXAGGSA-N 2 2 250.346 0.824 20 0 CCADLP CC[N@H+]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000556713889 291000913 /nfs/dbraw/zinc/00/09/13/291000913.db2.gz XACDSPDLOURVLJ-VXGBXAGGSA-N 2 2 250.346 0.824 20 0 CCADLP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Cn1cc[nH+]c1 ZINC000286613998 353599848 /nfs/dbraw/zinc/59/98/48/353599848.db2.gz AAKUTDRMMWUKKZ-QWHCGFSZSA-N 2 2 262.357 0.968 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000286183301 353567092 /nfs/dbraw/zinc/56/70/92/353567092.db2.gz AKXFTVAYXZGNML-DGCLKSJQSA-N 2 2 262.357 0.813 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000286183301 353567094 /nfs/dbraw/zinc/56/70/94/353567094.db2.gz AKXFTVAYXZGNML-DGCLKSJQSA-N 2 2 262.357 0.813 20 0 CCADLP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000655464783 412582401 /nfs/dbraw/zinc/58/24/01/412582401.db2.gz KXTHPJGYHBYEKO-BXUZGUMPSA-N 2 2 280.347 0.606 20 0 CCADLP CC(C)C(=O)NCC[N@H+](C)CCc1c[nH+]cn1C ZINC000290035996 353703226 /nfs/dbraw/zinc/70/32/26/353703226.db2.gz NRUGIXLNNORZDB-UHFFFAOYSA-N 2 2 252.362 0.667 20 0 CCADLP CC(C)C(=O)NCC[N@@H+](C)CCc1c[nH+]cn1C ZINC000290035996 353703228 /nfs/dbraw/zinc/70/32/28/353703228.db2.gz NRUGIXLNNORZDB-UHFFFAOYSA-N 2 2 252.362 0.667 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCn2c[nH+]cc2C1 ZINC000290498385 353730493 /nfs/dbraw/zinc/73/04/93/353730493.db2.gz HKGBKOGAVFVELI-LLVKDONJSA-N 2 2 274.328 0.694 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000295791669 353919081 /nfs/dbraw/zinc/91/90/81/353919081.db2.gz QZMCRYKYGHBUEU-LLVKDONJSA-N 2 2 282.413 0.957 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000296550810 353950878 /nfs/dbraw/zinc/95/08/78/353950878.db2.gz SWYOOUVXVSAKQY-LLVKDONJSA-N 2 2 265.361 0.796 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000296550810 353950880 /nfs/dbraw/zinc/95/08/80/353950880.db2.gz SWYOOUVXVSAKQY-LLVKDONJSA-N 2 2 265.361 0.796 20 0 CCADLP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000296520722 353950362 /nfs/dbraw/zinc/95/03/62/353950362.db2.gz SADIVFQCXOJJAG-ZFWWWQNUSA-N 2 2 291.395 0.832 20 0 CCADLP C[NH+](C)CCn1ccc(=NC(=O)[C@@H]2CCCC[N@@H+]2C)[nH]1 ZINC000606359857 363279488 /nfs/dbraw/zinc/27/94/88/363279488.db2.gz UOKNFFPTUFNHSD-LBPRGKRZSA-N 2 2 279.388 0.289 20 0 CCADLP C[NH+](C)CCn1ccc(=NC(=O)[C@@H]2CCCC[N@H+]2C)[nH]1 ZINC000606359857 363279495 /nfs/dbraw/zinc/27/94/95/363279495.db2.gz UOKNFFPTUFNHSD-LBPRGKRZSA-N 2 2 279.388 0.289 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000296776076 353959072 /nfs/dbraw/zinc/95/90/72/353959072.db2.gz PYPOQXNIAYYCMX-LBPRGKRZSA-N 2 2 266.345 0.964 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000296776076 353959073 /nfs/dbraw/zinc/95/90/73/353959073.db2.gz PYPOQXNIAYYCMX-LBPRGKRZSA-N 2 2 266.345 0.964 20 0 CCADLP CC(C)C[C@H](CNC1=[NH+]CCCN1)[NH+]1CCOCC1 ZINC000303263570 354097220 /nfs/dbraw/zinc/09/72/20/354097220.db2.gz RBTCEVBOMJKMGU-CYBMUJFWSA-N 2 2 268.405 0.672 20 0 CCADLP CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655476135 412586750 /nfs/dbraw/zinc/58/67/50/412586750.db2.gz NDKVZYUHQFLDFD-WDEREUQCSA-N 2 2 264.373 0.935 20 0 CCADLP CC(C)(C)[NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000607039811 363333849 /nfs/dbraw/zinc/33/38/49/363333849.db2.gz JCEGNSIOFBTMCN-UHFFFAOYSA-N 2 2 288.355 0.780 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCc2cccs2)[C@@H](C[NH3+])C1 ZINC000557078033 291021562 /nfs/dbraw/zinc/02/15/62/291021562.db2.gz HKPFELNBVYGMBJ-JTQLQIEISA-N 2 2 268.386 0.532 20 0 CCADLP C[N@H+]1CCN(C(=O)NCc2cccs2)[C@@H](C[NH3+])C1 ZINC000557078033 291021565 /nfs/dbraw/zinc/02/15/65/291021565.db2.gz HKPFELNBVYGMBJ-JTQLQIEISA-N 2 2 268.386 0.532 20 0 CCADLP COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000310815012 354191775 /nfs/dbraw/zinc/19/17/75/354191775.db2.gz ATEKMYVZQUITIW-NEPJUHHUSA-N 2 2 258.362 0.182 20 0 CCADLP COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000310815012 354191779 /nfs/dbraw/zinc/19/17/79/354191779.db2.gz ATEKMYVZQUITIW-NEPJUHHUSA-N 2 2 258.362 0.182 20 0 CCADLP COC(=O)[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000310815012 354191780 /nfs/dbraw/zinc/19/17/80/354191780.db2.gz ATEKMYVZQUITIW-NEPJUHHUSA-N 2 2 258.362 0.182 20 0 CCADLP COC(=O)[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000310815012 354191783 /nfs/dbraw/zinc/19/17/83/354191783.db2.gz ATEKMYVZQUITIW-NEPJUHHUSA-N 2 2 258.362 0.182 20 0 CCADLP COC(=O)[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000310815013 354192633 /nfs/dbraw/zinc/19/26/33/354192633.db2.gz ATEKMYVZQUITIW-NWDGAFQWSA-N 2 2 258.362 0.182 20 0 CCADLP COC(=O)[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000310815013 354192635 /nfs/dbraw/zinc/19/26/35/354192635.db2.gz ATEKMYVZQUITIW-NWDGAFQWSA-N 2 2 258.362 0.182 20 0 CCADLP COC(=O)[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000310815013 354192639 /nfs/dbraw/zinc/19/26/39/354192639.db2.gz ATEKMYVZQUITIW-NWDGAFQWSA-N 2 2 258.362 0.182 20 0 CCADLP COC(=O)[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000310815013 354192643 /nfs/dbraw/zinc/19/26/43/354192643.db2.gz ATEKMYVZQUITIW-NWDGAFQWSA-N 2 2 258.362 0.182 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCO[C@@H](C)C1 ZINC000310967618 354194854 /nfs/dbraw/zinc/19/48/54/354194854.db2.gz BWPNGYZIBQFYPN-QWHCGFSZSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCO[C@@H](C)C1 ZINC000310967618 354194857 /nfs/dbraw/zinc/19/48/57/354194857.db2.gz BWPNGYZIBQFYPN-QWHCGFSZSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCO[C@@H](C)C1 ZINC000310967618 354194860 /nfs/dbraw/zinc/19/48/60/354194860.db2.gz BWPNGYZIBQFYPN-QWHCGFSZSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCO[C@@H](C)C1 ZINC000310967618 354194862 /nfs/dbraw/zinc/19/48/62/354194862.db2.gz BWPNGYZIBQFYPN-QWHCGFSZSA-N 2 2 260.378 0.036 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]CC(=O)N1CCCCC1)C1CC1 ZINC000312080142 354206863 /nfs/dbraw/zinc/20/68/63/354206863.db2.gz SNQMXMLNPXISEG-CYBMUJFWSA-N 2 2 269.389 0.044 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]CC(=O)N1CCCCC1)C1CC1 ZINC000312080142 354206866 /nfs/dbraw/zinc/20/68/66/354206866.db2.gz SNQMXMLNPXISEG-CYBMUJFWSA-N 2 2 269.389 0.044 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)NC(=O)NC1CCCC1 ZINC000315067738 354224515 /nfs/dbraw/zinc/22/45/15/354224515.db2.gz LFKVZIYNFBJVOV-YPMHNXCESA-N 2 2 294.399 0.439 20 0 CCADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)NC(=O)NC1CCCC1 ZINC000315067738 354224520 /nfs/dbraw/zinc/22/45/20/354224520.db2.gz LFKVZIYNFBJVOV-YPMHNXCESA-N 2 2 294.399 0.439 20 0 CCADLP COCCC1(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CCC1 ZINC000557182829 291025211 /nfs/dbraw/zinc/02/52/11/291025211.db2.gz OTVSMZOADHYQNC-ZDUSSCGKSA-N 2 2 298.431 0.478 20 0 CCADLP COCCC1(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CCC1 ZINC000557182829 291025213 /nfs/dbraw/zinc/02/52/13/291025213.db2.gz OTVSMZOADHYQNC-ZDUSSCGKSA-N 2 2 298.431 0.478 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000330186753 354304825 /nfs/dbraw/zinc/30/48/25/354304825.db2.gz JZQXJXYSMWYNJS-LBPRGKRZSA-N 2 2 278.404 0.954 20 0 CCADLP CC[N@H+]1CCCC[C@H]1CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000330186753 354304827 /nfs/dbraw/zinc/30/48/27/354304827.db2.gz JZQXJXYSMWYNJS-LBPRGKRZSA-N 2 2 278.404 0.954 20 0 CCADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)NC(=O)NC1CCCC1 ZINC000557341839 291030890 /nfs/dbraw/zinc/03/08/90/291030890.db2.gz RLAWHHBRCNRRBT-NSHDSACASA-N 2 2 284.404 0.718 20 0 CCADLP CC[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)c1[nH]cc[nH+]1 ZINC000331262837 354509615 /nfs/dbraw/zinc/50/96/15/354509615.db2.gz DWCYUHCPVAXCDE-NWDGAFQWSA-N 2 2 280.372 0.945 20 0 CCADLP [NH3+]C[C@H]1CCCN1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000332163780 354623512 /nfs/dbraw/zinc/62/35/12/354623512.db2.gz UASNUZRORSWFFS-CHWSQXEVSA-N 2 2 289.383 0.793 20 0 CCADLP C[C@H](NC(=O)[C@@]1(C)CCC[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000353641058 299220980 /nfs/dbraw/zinc/22/09/80/299220980.db2.gz NTVDSIIZYQBKHS-YDHLFZDLSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@]1(CNC(=O)N2CCn3cc[nH+]c3C2)CCC[NH2+]C1 ZINC000333808763 354798761 /nfs/dbraw/zinc/79/87/61/354798761.db2.gz IWTTUYVSKCKZOE-CQSZACIVSA-N 2 2 277.372 0.798 20 0 CCADLP Cc1nc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc[nH+]1 ZINC000608082644 363399997 /nfs/dbraw/zinc/39/99/97/363399997.db2.gz ISWIUKKFHLWJCP-CHWSQXEVSA-N 2 2 262.357 0.820 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000333819693 354800630 /nfs/dbraw/zinc/80/06/30/354800630.db2.gz KRUBYRLZBGZQRX-MCIONIFRSA-N 2 2 298.431 0.347 20 0 CCADLP C[C@]1(CNC(=O)N2CCn3c[nH+]cc3C2)CCC[NH2+]C1 ZINC000333872028 354808728 /nfs/dbraw/zinc/80/87/28/354808728.db2.gz UTPZQVWNWPEQNK-AWEZNQCLSA-N 2 2 277.372 0.798 20 0 CCADLP Cc1nc(NC[C@@]2([NH+]3CCOCC3)CCSC2)cc[nH+]1 ZINC000608014527 363391030 /nfs/dbraw/zinc/39/10/30/363391030.db2.gz VIQCCJKWLMAREH-AWEZNQCLSA-N 2 2 294.424 0.827 20 0 CCADLP CC[C@H]1C[N@@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CCO1 ZINC000608017761 363392964 /nfs/dbraw/zinc/39/29/64/363392964.db2.gz SPCKWABHWWLOKJ-QWHCGFSZSA-N 2 2 297.399 0.176 20 0 CCADLP CC[C@H]1C[N@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CCO1 ZINC000608017761 363392968 /nfs/dbraw/zinc/39/29/68/363392968.db2.gz SPCKWABHWWLOKJ-QWHCGFSZSA-N 2 2 297.399 0.176 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2ccc(CO)o2)C1 ZINC000608056017 363396957 /nfs/dbraw/zinc/39/69/57/363396957.db2.gz SKIPNFORGKYYDJ-GFCCVEGCSA-N 2 2 295.383 0.449 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc(CO)o2)C1 ZINC000608056017 363396960 /nfs/dbraw/zinc/39/69/60/363396960.db2.gz SKIPNFORGKYYDJ-GFCCVEGCSA-N 2 2 295.383 0.449 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000245434060 283062882 /nfs/dbraw/zinc/06/28/82/283062882.db2.gz PMQALTQTQRTVJI-MNOVXSKESA-N 2 2 270.377 0.234 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000245434060 283062884 /nfs/dbraw/zinc/06/28/84/283062884.db2.gz PMQALTQTQRTVJI-MNOVXSKESA-N 2 2 270.377 0.234 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000245434060 283062886 /nfs/dbraw/zinc/06/28/86/283062886.db2.gz PMQALTQTQRTVJI-MNOVXSKESA-N 2 2 270.377 0.234 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000245434060 283062888 /nfs/dbraw/zinc/06/28/88/283062888.db2.gz PMQALTQTQRTVJI-MNOVXSKESA-N 2 2 270.377 0.234 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000335033485 354941720 /nfs/dbraw/zinc/94/17/20/354941720.db2.gz UWPNPGUULKEZSD-CYBMUJFWSA-N 2 2 265.332 0.860 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000423596421 235014324 /nfs/dbraw/zinc/01/43/24/235014324.db2.gz RPHIYLNOYPGMPN-VHDGCEQUSA-N 2 2 295.427 0.744 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000423596421 235014328 /nfs/dbraw/zinc/01/43/28/235014328.db2.gz RPHIYLNOYPGMPN-VHDGCEQUSA-N 2 2 295.427 0.744 20 0 CCADLP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)N3CCCC3)C2)C1 ZINC000335887842 355037522 /nfs/dbraw/zinc/03/75/22/355037522.db2.gz RJSBYEVIMOJULR-AWEZNQCLSA-N 2 2 251.374 0.636 20 0 CCADLP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)N3CCCC3)C2)C1 ZINC000335887842 355037530 /nfs/dbraw/zinc/03/75/30/355037530.db2.gz RJSBYEVIMOJULR-AWEZNQCLSA-N 2 2 251.374 0.636 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)N3CCCC3)C2)C1 ZINC000335887842 355037536 /nfs/dbraw/zinc/03/75/36/355037536.db2.gz RJSBYEVIMOJULR-AWEZNQCLSA-N 2 2 251.374 0.636 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)N3CCCC3)C2)C1 ZINC000335887842 355037543 /nfs/dbraw/zinc/03/75/43/355037543.db2.gz RJSBYEVIMOJULR-AWEZNQCLSA-N 2 2 251.374 0.636 20 0 CCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)CCn1cc[nH+]c1 ZINC000335892018 355038517 /nfs/dbraw/zinc/03/85/17/355038517.db2.gz CCNFLKNDWYMDBV-VXGBXAGGSA-N 2 2 250.346 0.824 20 0 CCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)CCn1cc[nH+]c1 ZINC000335892018 355038520 /nfs/dbraw/zinc/03/85/20/355038520.db2.gz CCNFLKNDWYMDBV-VXGBXAGGSA-N 2 2 250.346 0.824 20 0 CCADLP COC[C@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000423824506 235091031 /nfs/dbraw/zinc/09/10/31/235091031.db2.gz VZWUUKAKUZWDGB-YPMHNXCESA-N 2 2 297.424 0.927 20 0 CCADLP COC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000423824505 235092382 /nfs/dbraw/zinc/09/23/82/235092382.db2.gz VZWUUKAKUZWDGB-WCQYABFASA-N 2 2 297.424 0.927 20 0 CCADLP C[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000336514560 355117301 /nfs/dbraw/zinc/11/73/01/355117301.db2.gz CNKFXAFKNOGXLD-CHWSQXEVSA-N 2 2 253.390 0.881 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CC2CCC2)C1 ZINC000336605985 355121158 /nfs/dbraw/zinc/12/11/58/355121158.db2.gz QISMHVKYOKMAGL-CYBMUJFWSA-N 2 2 251.374 0.683 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC000336605985 355121161 /nfs/dbraw/zinc/12/11/61/355121161.db2.gz QISMHVKYOKMAGL-CYBMUJFWSA-N 2 2 251.374 0.683 20 0 CCADLP COCC1=CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)CC1 ZINC000336793331 355166373 /nfs/dbraw/zinc/16/63/73/355166373.db2.gz WHLZHEJUEDOMGN-CQSZACIVSA-N 2 2 254.374 0.720 20 0 CCADLP COCC1=CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)CC1 ZINC000336793331 355166377 /nfs/dbraw/zinc/16/63/77/355166377.db2.gz WHLZHEJUEDOMGN-CQSZACIVSA-N 2 2 254.374 0.720 20 0 CCADLP COCC1=CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000336793331 355166381 /nfs/dbraw/zinc/16/63/81/355166381.db2.gz WHLZHEJUEDOMGN-CQSZACIVSA-N 2 2 254.374 0.720 20 0 CCADLP COCC1=CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000336793331 355166384 /nfs/dbraw/zinc/16/63/84/355166384.db2.gz WHLZHEJUEDOMGN-CQSZACIVSA-N 2 2 254.374 0.720 20 0 CCADLP [NH3+][C@@H]1C[C@@H]1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000424144358 235161261 /nfs/dbraw/zinc/16/12/61/235161261.db2.gz XGPOPCONFMIHIH-UONOGXRCSA-N 2 2 275.352 0.805 20 0 CCADLP C[C@@H](O)CCC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000336793937 355167492 /nfs/dbraw/zinc/16/74/92/355167492.db2.gz ZANUJVOJAAMOCA-GFCCVEGCSA-N 2 2 252.362 0.688 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000336833905 355206739 /nfs/dbraw/zinc/20/67/39/355206739.db2.gz HFQNQAWHWUHJDP-NWDGAFQWSA-N 2 2 282.388 0.154 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000336833905 355206743 /nfs/dbraw/zinc/20/67/43/355206743.db2.gz HFQNQAWHWUHJDP-NWDGAFQWSA-N 2 2 282.388 0.154 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000336833903 355207328 /nfs/dbraw/zinc/20/73/28/355207328.db2.gz HFQNQAWHWUHJDP-NEPJUHHUSA-N 2 2 282.388 0.154 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000336833903 355207329 /nfs/dbraw/zinc/20/73/29/355207329.db2.gz HFQNQAWHWUHJDP-NEPJUHHUSA-N 2 2 282.388 0.154 20 0 CCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000424296711 235195992 /nfs/dbraw/zinc/19/59/92/235195992.db2.gz SGACDMDWQIFVIV-HUUCEWRRSA-N 3 2 294.443 0.589 20 0 CCADLP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCCCn1cc[nH+]c1 ZINC000424407041 235203898 /nfs/dbraw/zinc/20/38/98/235203898.db2.gz BFLDYKVGGXIHLK-VXGBXAGGSA-N 2 2 265.361 0.842 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@H]1CCC12CCOCC2 ZINC000558623866 291063030 /nfs/dbraw/zinc/06/30/30/291063030.db2.gz XRXMNONDCIHHFP-KBPBESRZSA-N 2 2 267.417 0.781 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H]1CCC12CCOCC2 ZINC000558623866 291063031 /nfs/dbraw/zinc/06/30/31/291063031.db2.gz XRXMNONDCIHHFP-KBPBESRZSA-N 2 2 267.417 0.781 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)CC[NH+]2CCCC2)CCO1 ZINC000337260753 355292178 /nfs/dbraw/zinc/29/21/78/355292178.db2.gz XFLRCMNGEICPCY-CQSZACIVSA-N 2 2 255.406 0.735 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)CC[NH+]2CCCC2)CCO1 ZINC000337260753 355292181 /nfs/dbraw/zinc/29/21/81/355292181.db2.gz XFLRCMNGEICPCY-CQSZACIVSA-N 2 2 255.406 0.735 20 0 CCADLP C[NH+](C)CC(=O)N1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000339137402 355492585 /nfs/dbraw/zinc/49/25/85/355492585.db2.gz RWNKUWQDAFDUBS-UHFFFAOYSA-N 2 2 288.355 0.168 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)no1 ZINC000425048477 235255918 /nfs/dbraw/zinc/25/59/18/235255918.db2.gz CAIBLLXMTQXKFZ-SMDDNHRTSA-N 2 2 292.383 0.902 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)no1 ZINC000425048477 235255919 /nfs/dbraw/zinc/25/59/19/235255919.db2.gz CAIBLLXMTQXKFZ-SMDDNHRTSA-N 2 2 292.383 0.902 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000340286081 355548634 /nfs/dbraw/zinc/54/86/34/355548634.db2.gz LNXWIZLFECGPQU-XUWVNRHRSA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000340286081 355548640 /nfs/dbraw/zinc/54/86/40/355548640.db2.gz LNXWIZLFECGPQU-XUWVNRHRSA-N 2 2 297.443 0.237 20 0 CCADLP CN1C[C@@H](C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)OC1=O ZINC000496431564 283106478 /nfs/dbraw/zinc/10/64/78/283106478.db2.gz GDYXHDZAVZEZQQ-WCQYABFASA-N 2 2 253.346 0.465 20 0 CCADLP CN1C[C@@H](C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)OC1=O ZINC000496431564 283106482 /nfs/dbraw/zinc/10/64/82/283106482.db2.gz GDYXHDZAVZEZQQ-WCQYABFASA-N 2 2 253.346 0.465 20 0 CCADLP CN1C[C@@H](C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)OC1=O ZINC000496431564 283106485 /nfs/dbraw/zinc/10/64/85/283106485.db2.gz GDYXHDZAVZEZQQ-WCQYABFASA-N 2 2 253.346 0.465 20 0 CCADLP CN1C[C@@H](C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)OC1=O ZINC000496431564 283106488 /nfs/dbraw/zinc/10/64/88/283106488.db2.gz GDYXHDZAVZEZQQ-WCQYABFASA-N 2 2 253.346 0.465 20 0 CCADLP C[C@H](CO[C@H]1CCOC1)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425339598 235288622 /nfs/dbraw/zinc/28/86/22/235288622.db2.gz CSJNYBGIYFUCHS-YPMHNXCESA-N 2 2 282.388 0.770 20 0 CCADLP COC(=O)c1cn(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)nn1 ZINC000341253903 355640730 /nfs/dbraw/zinc/64/07/30/355640730.db2.gz NKMXYUCDVZOSJA-GHMZBOCLSA-N 2 2 293.371 0.280 20 0 CCADLP COC(=O)c1cn(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)nn1 ZINC000341253903 355640733 /nfs/dbraw/zinc/64/07/33/355640733.db2.gz NKMXYUCDVZOSJA-GHMZBOCLSA-N 2 2 293.371 0.280 20 0 CCADLP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H]1CC[N@H+](CCOC)C1 ZINC000341580190 355697617 /nfs/dbraw/zinc/69/76/17/355697617.db2.gz ACBBPJVSXDZMLN-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H]1CC[N@@H+](CCOC)C1 ZINC000341580190 355697622 /nfs/dbraw/zinc/69/76/22/355697622.db2.gz ACBBPJVSXDZMLN-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP CN1CC[C@H]([NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1=O ZINC000247565208 283117437 /nfs/dbraw/zinc/11/74/37/283117437.db2.gz VOJXSVUPJNMCMD-GJZGRUSLSA-N 2 2 294.443 0.319 20 0 CCADLP CN1CC[C@H]([NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C1=O ZINC000247565208 283117438 /nfs/dbraw/zinc/11/74/38/283117438.db2.gz VOJXSVUPJNMCMD-GJZGRUSLSA-N 2 2 294.443 0.319 20 0 CCADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000558859925 291073518 /nfs/dbraw/zinc/07/35/18/291073518.db2.gz LFAAHIRORFBMER-NWDGAFQWSA-N 2 2 253.390 0.975 20 0 CCADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000558859925 291073521 /nfs/dbraw/zinc/07/35/21/291073521.db2.gz LFAAHIRORFBMER-NWDGAFQWSA-N 2 2 253.390 0.975 20 0 CCADLP O=C(C[C@H]1CC[NH2+]C1)NCCc1cn2c([nH+]1)CCCC2 ZINC000427289347 235357605 /nfs/dbraw/zinc/35/76/05/235357605.db2.gz ULBPFXURRKZQPA-GFCCVEGCSA-N 2 2 276.384 0.878 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000345440578 355826538 /nfs/dbraw/zinc/82/65/38/355826538.db2.gz ZRUDJPXBLHPODK-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC000345440578 355826543 /nfs/dbraw/zinc/82/65/43/355826543.db2.gz ZRUDJPXBLHPODK-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)NCC1CCC1 ZINC000428031577 235391729 /nfs/dbraw/zinc/39/17/29/235391729.db2.gz HMMONOSUJCISRY-OLZOCXBDSA-N 2 2 251.374 0.587 20 0 CCADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)NCC1CCC1 ZINC000428031577 235391731 /nfs/dbraw/zinc/39/17/31/235391731.db2.gz HMMONOSUJCISRY-OLZOCXBDSA-N 2 2 251.374 0.587 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCOCC2(CCOCC2)C1)C1CC1 ZINC000351608319 356004297 /nfs/dbraw/zinc/00/42/97/356004297.db2.gz ZHTKGKHOIAPJTQ-HNNXBMFYSA-N 2 2 298.427 0.571 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCOCC2(CCOCC2)C1)C1CC1 ZINC000351608319 356004299 /nfs/dbraw/zinc/00/42/99/356004299.db2.gz ZHTKGKHOIAPJTQ-HNNXBMFYSA-N 2 2 298.427 0.571 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCOCC2(CCOCC2)C1)C1CC1 ZINC000351608319 356004301 /nfs/dbraw/zinc/00/43/01/356004301.db2.gz ZHTKGKHOIAPJTQ-HNNXBMFYSA-N 2 2 298.427 0.571 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCOCC2(CCOCC2)C1)C1CC1 ZINC000351608319 356004302 /nfs/dbraw/zinc/00/43/02/356004302.db2.gz ZHTKGKHOIAPJTQ-HNNXBMFYSA-N 2 2 298.427 0.571 20 0 CCADLP C[C@H](C(=O)N1CCC([C@H](C)[NH3+])CC1)[NH+]1CCOCC1 ZINC000428925808 235434754 /nfs/dbraw/zinc/43/47/54/235434754.db2.gz WUVSYWMTEYCIFV-NWDGAFQWSA-N 2 2 269.389 0.293 20 0 CCADLP CN1C[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)CC1=O ZINC000352764051 356074107 /nfs/dbraw/zinc/07/41/07/356074107.db2.gz ADARISKXKPEDNH-VIFPVBQESA-N 2 2 268.386 0.525 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H](C)[NH+](C)C[C@H]2C)C1 ZINC000352813048 356087427 /nfs/dbraw/zinc/08/74/27/356087427.db2.gz ITGOGCHBYCRKIE-XQQFMLRXSA-N 2 2 269.389 0.258 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H](C)[NH+](C)C[C@H]2C)C1 ZINC000352813048 356087432 /nfs/dbraw/zinc/08/74/32/356087432.db2.gz ITGOGCHBYCRKIE-XQQFMLRXSA-N 2 2 269.389 0.258 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000352813048 356087438 /nfs/dbraw/zinc/08/74/38/356087438.db2.gz ITGOGCHBYCRKIE-XQQFMLRXSA-N 2 2 269.389 0.258 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000352813048 356087441 /nfs/dbraw/zinc/08/74/41/356087441.db2.gz ITGOGCHBYCRKIE-XQQFMLRXSA-N 2 2 269.389 0.258 20 0 CCADLP CC(C)[C@@H](O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000352841212 356094335 /nfs/dbraw/zinc/09/43/35/356094335.db2.gz GJPQYVYDWJDNEM-CQSZACIVSA-N 2 2 285.432 0.488 20 0 CCADLP CC(C)[C@@H](O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000352841212 356094339 /nfs/dbraw/zinc/09/43/39/356094339.db2.gz GJPQYVYDWJDNEM-CQSZACIVSA-N 2 2 285.432 0.488 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000353433374 356221179 /nfs/dbraw/zinc/22/11/79/356221179.db2.gz UDQMKNZNWXZCIO-UPJWGTAASA-N 2 2 269.389 0.211 20 0 CCADLP CCN(C)C(=O)[C@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000353343594 356206912 /nfs/dbraw/zinc/20/69/12/356206912.db2.gz BNFMWFYXJIDBSK-LBPRGKRZSA-N 2 2 271.405 0.554 20 0 CCADLP Cc1n[nH]c(C)c1C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000353350769 356207498 /nfs/dbraw/zinc/20/74/98/356207498.db2.gz JFJSXKIQQAPRAC-UHFFFAOYSA-N 2 2 266.389 0.915 20 0 CCADLP Cc1n[nH]c(C)c1C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000353350769 356207501 /nfs/dbraw/zinc/20/75/01/356207501.db2.gz JFJSXKIQQAPRAC-UHFFFAOYSA-N 2 2 266.389 0.915 20 0 CCADLP CCn1cc[nH+]c1CN(C)C1CC[NH+](CCO)CC1 ZINC000353360544 356209203 /nfs/dbraw/zinc/20/92/03/356209203.db2.gz INIANNGEKGXDEA-UHFFFAOYSA-N 2 2 266.389 0.792 20 0 CCADLP CN(Cc1[nH+]ccn1C)C1CC[NH+](CCO)CC1 ZINC000353360238 356209376 /nfs/dbraw/zinc/20/93/76/356209376.db2.gz GRHXRROAPKXYAD-UHFFFAOYSA-N 2 2 252.362 0.309 20 0 CCADLP [NH3+][C@@H](CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)c1ccccc1 ZINC000360818754 138011800 /nfs/dbraw/zinc/01/18/00/138011800.db2.gz QHMHSOMNYLFLTR-WDEREUQCSA-N 2 2 269.295 0.800 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](CO)[C@@H]1CCOC1 ZINC000360885978 138014999 /nfs/dbraw/zinc/01/49/99/138014999.db2.gz UBFFQOBCEBLERJ-CXTNEJHOSA-N 2 2 268.401 0.704 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](CO)[C@@H]1CCOC1 ZINC000360885978 138015000 /nfs/dbraw/zinc/01/50/00/138015000.db2.gz UBFFQOBCEBLERJ-CXTNEJHOSA-N 2 2 268.401 0.704 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC000360885796 138015324 /nfs/dbraw/zinc/01/53/24/138015324.db2.gz WARDZKHNWAWMLF-UHFFFAOYSA-N 3 2 296.459 0.470 20 0 CCADLP COC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C1CC1 ZINC000360895733 138015327 /nfs/dbraw/zinc/01/53/27/138015327.db2.gz ZVVYHUIRTFGQTA-HUUCEWRRSA-N 2 2 297.443 0.944 20 0 CCADLP COC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)C1CC1 ZINC000360895733 138015328 /nfs/dbraw/zinc/01/53/28/138015328.db2.gz ZVVYHUIRTFGQTA-HUUCEWRRSA-N 2 2 297.443 0.944 20 0 CCADLP CCC[NH+]1CCC([NH2+]CC(=O)NCC(F)F)CC1 ZINC000360921179 138015940 /nfs/dbraw/zinc/01/59/40/138015940.db2.gz DMVASUJKCDBFMN-UHFFFAOYSA-N 2 2 263.332 0.832 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)CCc2[nH]cc[nH+]2)n1C ZINC000353763108 356289392 /nfs/dbraw/zinc/28/93/92/356289392.db2.gz ZSMZEHGJXOWKLG-UHFFFAOYSA-N 2 2 276.344 0.458 20 0 CCADLP C[C@H]1C[N@H+](C)CCN1C(=O)c1c[nH+]ccc1N(C)C ZINC000353776673 356292849 /nfs/dbraw/zinc/29/28/49/356292849.db2.gz WFNXAXVSUYZMOM-NSHDSACASA-N 2 2 262.357 0.924 20 0 CCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)c1c[nH+]ccc1N(C)C ZINC000353776673 356292851 /nfs/dbraw/zinc/29/28/51/356292851.db2.gz WFNXAXVSUYZMOM-NSHDSACASA-N 2 2 262.357 0.924 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2C=C[C@@H](CO)C2)CC1 ZINC000360983488 138017773 /nfs/dbraw/zinc/01/77/73/138017773.db2.gz AVHXMRUSAVEJDN-HIFRSBDPSA-N 2 2 296.411 0.931 20 0 CCADLP CC[NH+](CC)CCCCNC(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000353829964 356300974 /nfs/dbraw/zinc/30/09/74/356300974.db2.gz UEIKNPVDWYHVBJ-OAHLLOKOSA-N 2 2 298.475 0.861 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cnnn2C)CC1 ZINC000361140761 138022945 /nfs/dbraw/zinc/02/29/45/138022945.db2.gz HNGSPFCLGMWSBW-UHFFFAOYSA-N 2 2 295.387 0.322 20 0 CCADLP COC(=O)CCC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000354105780 356347181 /nfs/dbraw/zinc/34/71/81/356347181.db2.gz DYVOVPIGOGPLST-UHFFFAOYSA-N 2 2 266.345 0.481 20 0 CCADLP CC[C@H](C)[N@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000354151517 356355032 /nfs/dbraw/zinc/35/50/32/356355032.db2.gz XSWQGZBCRKAQAB-ZDUSSCGKSA-N 2 2 285.432 0.944 20 0 CCADLP CC[C@H](C)[N@@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000354151517 356355035 /nfs/dbraw/zinc/35/50/35/356355035.db2.gz XSWQGZBCRKAQAB-ZDUSSCGKSA-N 2 2 285.432 0.944 20 0 CCADLP C[C@H](NC(=O)[C@]1(C)CC[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000167688438 299241507 /nfs/dbraw/zinc/24/15/07/299241507.db2.gz ZWCDUQYLDDAPJA-SGMGOOAPSA-N 2 2 269.389 0.211 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)[C@@H]2CCNC2=O)CC1 ZINC000328802424 202063901 /nfs/dbraw/zinc/06/39/01/202063901.db2.gz AYQCOIIIUYLXIE-NWDGAFQWSA-N 2 2 282.388 0.200 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)[C@@H]2CCNC2=O)CC1 ZINC000328802424 202063903 /nfs/dbraw/zinc/06/39/03/202063903.db2.gz AYQCOIIIUYLXIE-NWDGAFQWSA-N 2 2 282.388 0.200 20 0 CCADLP C[C@@H](CNC(=O)NCC[N@@H+]1CCOC[C@@H]1C)[NH+](C)C1CC1 ZINC000356335441 356747789 /nfs/dbraw/zinc/74/77/89/356747789.db2.gz NBZIWRNVXHEUBF-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H](CNC(=O)NCC[N@H+]1CCOC[C@@H]1C)[NH+](C)C1CC1 ZINC000356335441 356747792 /nfs/dbraw/zinc/74/77/92/356747792.db2.gz NBZIWRNVXHEUBF-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H](CNC(=O)NCC[NH+]1CCOC[C@@H]1C)[N@H+](C)C1CC1 ZINC000356335441 356747795 /nfs/dbraw/zinc/74/77/95/356747795.db2.gz NBZIWRNVXHEUBF-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H](CNC(=O)NCC[NH+]1CCOC[C@@H]1C)[N@@H+](C)C1CC1 ZINC000356335441 356747800 /nfs/dbraw/zinc/74/78/00/356747800.db2.gz NBZIWRNVXHEUBF-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000357236083 356769252 /nfs/dbraw/zinc/76/92/52/356769252.db2.gz SPPLQMVNEMUCBJ-HZSPNIEDSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCOCC1 ZINC000357236083 356769256 /nfs/dbraw/zinc/76/92/56/356769256.db2.gz SPPLQMVNEMUCBJ-HZSPNIEDSA-N 2 2 283.416 0.648 20 0 CCADLP Cc1ccccc1CCNC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359292376 356796407 /nfs/dbraw/zinc/79/64/07/356796407.db2.gz UIYUWYUUBFUDAW-IYBDPMFKSA-N 2 2 287.407 0.805 20 0 CCADLP Cc1ccccc1CCNC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359292376 356796412 /nfs/dbraw/zinc/79/64/12/356796412.db2.gz UIYUWYUUBFUDAW-IYBDPMFKSA-N 2 2 287.407 0.805 20 0 CCADLP C[C@H](C(=O)NCc1ccccc1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359317747 356802082 /nfs/dbraw/zinc/80/20/82/356802082.db2.gz YCULIFXPBLSFSJ-BPLDGKMQSA-N 2 2 273.380 0.843 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000360162637 356961719 /nfs/dbraw/zinc/96/17/19/356961719.db2.gz NWOGZAXPWJEHMD-CYBMUJFWSA-N 2 2 292.383 0.485 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000360162637 356961720 /nfs/dbraw/zinc/96/17/20/356961720.db2.gz NWOGZAXPWJEHMD-CYBMUJFWSA-N 2 2 292.383 0.485 20 0 CCADLP COCCNC(=[NH2+])NCC[N@@H+]1CCc2sccc2C1 ZINC000360603302 357040277 /nfs/dbraw/zinc/04/02/77/357040277.db2.gz XNKYKQQHPQCSRG-UHFFFAOYSA-N 2 2 282.413 0.867 20 0 CCADLP COCCNC(=[NH2+])NCC[N@H+]1CCc2sccc2C1 ZINC000360603302 357040281 /nfs/dbraw/zinc/04/02/81/357040281.db2.gz XNKYKQQHPQCSRG-UHFFFAOYSA-N 2 2 282.413 0.867 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)Cn2cc[nH+]c2)CCO1 ZINC000360453157 357015273 /nfs/dbraw/zinc/01/52/73/357015273.db2.gz BQWVZSBUUGFGNS-GFCCVEGCSA-N 2 2 266.345 0.110 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)Cn2cc[nH+]c2)CCO1 ZINC000360453157 357015276 /nfs/dbraw/zinc/01/52/76/357015276.db2.gz BQWVZSBUUGFGNS-GFCCVEGCSA-N 2 2 266.345 0.110 20 0 CCADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@H](O)CO ZINC000364053995 357082057 /nfs/dbraw/zinc/08/20/57/357082057.db2.gz OCININYPUPMASA-BPLDGKMQSA-N 2 2 264.369 0.450 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@H](O)CO ZINC000364053995 357082060 /nfs/dbraw/zinc/08/20/60/357082060.db2.gz OCININYPUPMASA-BPLDGKMQSA-N 2 2 264.369 0.450 20 0 CCADLP Cn1ncc2c1nc(N[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)[nH+]c2N ZINC000365051240 357135336 /nfs/dbraw/zinc/13/53/36/357135336.db2.gz GOFLHXHPTJUIAT-NXEZZACHSA-N 2 2 287.371 0.406 20 0 CCADLP Cn1ncc2c1nc(N[C@@H]1CC[N@H+]3CCC[C@@H]3C1)[nH+]c2N ZINC000365051240 357135338 /nfs/dbraw/zinc/13/53/38/357135338.db2.gz GOFLHXHPTJUIAT-NXEZZACHSA-N 2 2 287.371 0.406 20 0 CCADLP Cc1cn[nH]c1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000368081067 357317799 /nfs/dbraw/zinc/31/77/99/357317799.db2.gz KIAPOJDGUXQVEI-AWEZNQCLSA-N 2 2 293.415 0.214 20 0 CCADLP Cc1c[nH]nc1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000368081067 357317805 /nfs/dbraw/zinc/31/78/05/357317805.db2.gz KIAPOJDGUXQVEI-AWEZNQCLSA-N 2 2 293.415 0.214 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C[NH2+]CC3CC3)C2)CC1 ZINC000377195172 357551127 /nfs/dbraw/zinc/55/11/27/357551127.db2.gz DJGGRWWUDBNALF-AWEZNQCLSA-N 3 2 294.443 0.271 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C[NH2+]CC3CC3)C2)CC1 ZINC000377195172 357551130 /nfs/dbraw/zinc/55/11/30/357551130.db2.gz DJGGRWWUDBNALF-AWEZNQCLSA-N 3 2 294.443 0.271 20 0 CCADLP O=C1NCCN1CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000377277419 357560131 /nfs/dbraw/zinc/56/01/31/357560131.db2.gz SIHGLOWJXMPWGK-GFCCVEGCSA-N 2 2 263.345 0.545 20 0 CCADLP O=C1NCCN1CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000377277419 357560138 /nfs/dbraw/zinc/56/01/38/357560138.db2.gz SIHGLOWJXMPWGK-GFCCVEGCSA-N 2 2 263.345 0.545 20 0 CCADLP O=C(NCCn1cc[nH+]c1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377744599 357610997 /nfs/dbraw/zinc/61/09/97/357610997.db2.gz LFYKTXRIVQMNPX-QWHCGFSZSA-N 2 2 262.357 0.635 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCn3ccnc32)C1 ZINC000655755265 412656594 /nfs/dbraw/zinc/65/65/94/412656594.db2.gz VNCPKMLGLRAVFK-WCQYABFASA-N 2 2 250.346 0.374 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCn3ccnc32)C1 ZINC000655755265 412656598 /nfs/dbraw/zinc/65/65/98/412656598.db2.gz VNCPKMLGLRAVFK-WCQYABFASA-N 2 2 250.346 0.374 20 0 CCADLP CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)NC ZINC000655775267 412658242 /nfs/dbraw/zinc/65/82/42/412658242.db2.gz VBXYDOIISNPSCS-UONOGXRCSA-N 2 2 283.416 0.744 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000380391852 357703719 /nfs/dbraw/zinc/70/37/19/357703719.db2.gz CGUSJEUYDPZQHD-RWMBFGLXSA-N 2 2 256.390 0.513 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000380391852 357703721 /nfs/dbraw/zinc/70/37/21/357703721.db2.gz CGUSJEUYDPZQHD-RWMBFGLXSA-N 2 2 256.390 0.513 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000380391852 357703723 /nfs/dbraw/zinc/70/37/23/357703723.db2.gz CGUSJEUYDPZQHD-RWMBFGLXSA-N 2 2 256.390 0.513 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000380391852 357703724 /nfs/dbraw/zinc/70/37/24/357703724.db2.gz CGUSJEUYDPZQHD-RWMBFGLXSA-N 2 2 256.390 0.513 20 0 CCADLP Cc1nc(NCC[N@@H+]2CCCC2(C)C)nc(N(C)C)[nH+]1 ZINC000450952518 236124017 /nfs/dbraw/zinc/12/40/17/236124017.db2.gz UJTITLMEHABUAY-UHFFFAOYSA-N 2 2 278.404 0.954 20 0 CCADLP Cc1nc(NCC[N@H+]2CCCC2(C)C)nc(N(C)C)[nH+]1 ZINC000450952518 236124020 /nfs/dbraw/zinc/12/40/20/236124020.db2.gz UJTITLMEHABUAY-UHFFFAOYSA-N 2 2 278.404 0.954 20 0 CCADLP CC(C)[C@H](CNC(=O)C[NH+]1CC(C)(C)C1)[NH+]1CCOCC1 ZINC000561106312 291117083 /nfs/dbraw/zinc/11/70/83/291117083.db2.gz IPOMJSYENRWWET-AWEZNQCLSA-N 2 2 297.443 0.801 20 0 CCADLP CC(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+]1CCOCC1 ZINC000561105221 291117123 /nfs/dbraw/zinc/11/71/23/291117123.db2.gz CKVBWBMKGPWLAW-HUUCEWRRSA-N 2 2 297.443 0.801 20 0 CCADLP CC(C)[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH+]1CCOCC1 ZINC000561105221 291117124 /nfs/dbraw/zinc/11/71/24/291117124.db2.gz CKVBWBMKGPWLAW-HUUCEWRRSA-N 2 2 297.443 0.801 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CC(C)(C)OC2(C)C)[C@@H](C[NH3+])C1 ZINC000561185533 291119878 /nfs/dbraw/zinc/11/98/78/291119878.db2.gz HYRZWDNQDNFOFP-NWDGAFQWSA-N 2 2 298.431 0.617 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CC(C)(C)OC2(C)C)[C@@H](C[NH3+])C1 ZINC000561185533 291119880 /nfs/dbraw/zinc/11/98/80/291119880.db2.gz HYRZWDNQDNFOFP-NWDGAFQWSA-N 2 2 298.431 0.617 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)[C@H](C)[NH+]2CC(C)C2)C[C@H]1C ZINC000561247348 291123398 /nfs/dbraw/zinc/12/33/98/291123398.db2.gz WFCUFKASIPCQRD-KGLIPLIRSA-N 2 2 283.416 0.506 20 0 CCADLP COCC[N@H+]1CCN(C(=O)[C@H](C)[NH+]2CC(C)C2)C[C@H]1C ZINC000561247348 291123400 /nfs/dbraw/zinc/12/34/00/291123400.db2.gz WFCUFKASIPCQRD-KGLIPLIRSA-N 2 2 283.416 0.506 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000294591623 199098676 /nfs/dbraw/zinc/09/86/76/199098676.db2.gz MPCSDZGBLBFQTF-GFCCVEGCSA-N 2 2 265.313 0.037 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000294591623 199098678 /nfs/dbraw/zinc/09/86/78/199098678.db2.gz MPCSDZGBLBFQTF-GFCCVEGCSA-N 2 2 265.313 0.037 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000417035147 358129155 /nfs/dbraw/zinc/12/91/55/358129155.db2.gz REZYYVFRIAJWLG-BFHYXJOUSA-N 2 2 298.431 0.333 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000422878391 358193747 /nfs/dbraw/zinc/19/37/47/358193747.db2.gz STWYLAQAXJCBKH-KYEXWDHISA-N 2 2 267.417 0.826 20 0 CCADLP C[C@@H](C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)[NH+]1CCSCC1 ZINC000425056711 358212873 /nfs/dbraw/zinc/21/28/73/358212873.db2.gz KNESMOFJEXJJDP-MELADBBJSA-N 2 2 297.468 0.976 20 0 CCADLP C[C@@H](C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)[NH+]1CCSCC1 ZINC000425056711 358212875 /nfs/dbraw/zinc/21/28/75/358212875.db2.gz KNESMOFJEXJJDP-MELADBBJSA-N 2 2 297.468 0.976 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000562273754 291141557 /nfs/dbraw/zinc/14/15/57/291141557.db2.gz NCZUUUDHHBOAAD-CYBMUJFWSA-N 2 2 262.357 0.970 20 0 CCADLP C[C@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)CC[N@@H+](C2CC2)C1 ZINC000452178226 358265884 /nfs/dbraw/zinc/26/58/84/358265884.db2.gz YNRIRUROAFDPPE-TZMCWYRMSA-N 2 2 281.400 0.260 20 0 CCADLP C[C@H]1CN(C(=O)[C@H]2C[NH+](C)CCO2)CC[N@H+](C2CC2)C1 ZINC000452178226 358265890 /nfs/dbraw/zinc/26/58/90/358265890.db2.gz YNRIRUROAFDPPE-TZMCWYRMSA-N 2 2 281.400 0.260 20 0 CCADLP C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC[NH+](C2CC2)C1 ZINC000452178226 358265895 /nfs/dbraw/zinc/26/58/95/358265895.db2.gz YNRIRUROAFDPPE-TZMCWYRMSA-N 2 2 281.400 0.260 20 0 CCADLP C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC[NH+](C2CC2)C1 ZINC000452178226 358265898 /nfs/dbraw/zinc/26/58/98/358265898.db2.gz YNRIRUROAFDPPE-TZMCWYRMSA-N 2 2 281.400 0.260 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)[C@@H]1C ZINC000495089027 358314439 /nfs/dbraw/zinc/31/44/39/358314439.db2.gz XAOZZEGSRZXHGC-NDBYEHHHSA-N 2 2 253.390 0.960 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)[C@@H]1C ZINC000495089027 358314442 /nfs/dbraw/zinc/31/44/42/358314442.db2.gz XAOZZEGSRZXHGC-NDBYEHHHSA-N 2 2 253.390 0.960 20 0 CCADLP O=C1C[C@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)[C@H]2CCCCN12 ZINC000515413419 358337798 /nfs/dbraw/zinc/33/77/98/358337798.db2.gz WTJUZDGLFCTSDC-DSJMHWKBSA-N 2 2 293.411 0.496 20 0 CCADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(c2nc(C)cc(C)n2)CC1 ZINC000516974522 358341259 /nfs/dbraw/zinc/34/12/59/358341259.db2.gz CNCAALYVVNPHGC-HNNXBMFYSA-N 2 2 293.415 0.186 20 0 CCADLP Cc1cnccc1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000530219808 358380707 /nfs/dbraw/zinc/38/07/07/358380707.db2.gz QWHGHCGBBBPORY-OAHLLOKOSA-N 2 2 288.395 0.786 20 0 CCADLP Cc1cnccc1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000530219808 358380709 /nfs/dbraw/zinc/38/07/09/358380709.db2.gz QWHGHCGBBBPORY-OAHLLOKOSA-N 2 2 288.395 0.786 20 0 CCADLP Cc1noc(C23CC(C2)C[N@@H+]3CCN2CC[NH2+]CC2)n1 ZINC000530230524 358383942 /nfs/dbraw/zinc/38/39/42/358383942.db2.gz HLZZDCMKIPXNQA-UHFFFAOYSA-N 2 2 277.372 0.204 20 0 CCADLP Cc1noc(C23CC(C2)C[N@H+]3CCN2CC[NH2+]CC2)n1 ZINC000530230524 358383948 /nfs/dbraw/zinc/38/39/48/358383948.db2.gz HLZZDCMKIPXNQA-UHFFFAOYSA-N 2 2 277.372 0.204 20 0 CCADLP CC[C@H](C(=O)NCC[N@@H+]1CCO[C@@H](C)C1)[NH+](CC)CC ZINC000531056545 358438393 /nfs/dbraw/zinc/43/83/93/358438393.db2.gz QIMOHVCCPRLHEO-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP CC[C@H](C(=O)NCC[N@H+]1CCO[C@@H](C)C1)[NH+](CC)CC ZINC000531056545 358438397 /nfs/dbraw/zinc/43/83/97/358438397.db2.gz QIMOHVCCPRLHEO-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC2(CCO2)CC1)C1CC1 ZINC000565628571 358564578 /nfs/dbraw/zinc/56/45/78/358564578.db2.gz YIMGFLKUQMMXJC-CYBMUJFWSA-N 2 2 254.374 0.696 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC2(CCO2)CC1)C1CC1 ZINC000565628571 358564580 /nfs/dbraw/zinc/56/45/80/358564580.db2.gz YIMGFLKUQMMXJC-CYBMUJFWSA-N 2 2 254.374 0.696 20 0 CCADLP C[C@@H](O)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000565712055 358565505 /nfs/dbraw/zinc/56/55/05/358565505.db2.gz NZNVQTATHFWYLG-PJIALRRASA-N 2 2 283.416 0.429 20 0 CCADLP C[C@@H](O)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000565712055 358565509 /nfs/dbraw/zinc/56/55/09/358565509.db2.gz NZNVQTATHFWYLG-PJIALRRASA-N 2 2 283.416 0.429 20 0 CCADLP CC(C)OC[C@H](O)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000567709228 358575401 /nfs/dbraw/zinc/57/54/01/358575401.db2.gz NBERUNBWABJTFI-GHMZBOCLSA-N 2 2 253.346 0.643 20 0 CCADLP CC(C)OC[C@H](O)C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000567709228 358575402 /nfs/dbraw/zinc/57/54/02/358575402.db2.gz NBERUNBWABJTFI-GHMZBOCLSA-N 2 2 253.346 0.643 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567889736 358607090 /nfs/dbraw/zinc/60/70/90/358607090.db2.gz PLLQBSNCIATDGW-DZGCQCFKSA-N 2 2 283.416 0.603 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567889736 358607093 /nfs/dbraw/zinc/60/70/93/358607093.db2.gz PLLQBSNCIATDGW-DZGCQCFKSA-N 2 2 283.416 0.603 20 0 CCADLP COCC[N@@H+]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000568190922 358643991 /nfs/dbraw/zinc/64/39/91/358643991.db2.gz SZLMFNOVNJXPAX-CYBMUJFWSA-N 2 2 294.399 0.769 20 0 CCADLP COCC[N@H+]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000568190922 358643992 /nfs/dbraw/zinc/64/39/92/358643992.db2.gz SZLMFNOVNJXPAX-CYBMUJFWSA-N 2 2 294.399 0.769 20 0 CCADLP COCC[N@@H+]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000568190922 358643993 /nfs/dbraw/zinc/64/39/93/358643993.db2.gz SZLMFNOVNJXPAX-CYBMUJFWSA-N 2 2 294.399 0.769 20 0 CCADLP COCC[N@H+]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000568190922 358643994 /nfs/dbraw/zinc/64/39/94/358643994.db2.gz SZLMFNOVNJXPAX-CYBMUJFWSA-N 2 2 294.399 0.769 20 0 CCADLP COC(=O)CC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000567994843 358623240 /nfs/dbraw/zinc/62/32/40/358623240.db2.gz WRLVYTXNNVAHNR-UHFFFAOYSA-N 2 2 270.373 0.376 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCc2ccc(O)cc2C1 ZINC000568164672 358638666 /nfs/dbraw/zinc/63/86/66/358638666.db2.gz WSGSQNNJUWVEQX-MRXNPFEDSA-N 2 2 294.395 0.689 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCc2ccc(O)cc2C1 ZINC000568164672 358638668 /nfs/dbraw/zinc/63/86/68/358638668.db2.gz WSGSQNNJUWVEQX-MRXNPFEDSA-N 2 2 294.395 0.689 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000568164672 358638671 /nfs/dbraw/zinc/63/86/71/358638671.db2.gz WSGSQNNJUWVEQX-MRXNPFEDSA-N 2 2 294.395 0.689 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCc2ccc(O)cc2C1 ZINC000568164672 358638673 /nfs/dbraw/zinc/63/86/73/358638673.db2.gz WSGSQNNJUWVEQX-MRXNPFEDSA-N 2 2 294.395 0.689 20 0 CCADLP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000568166537 358638730 /nfs/dbraw/zinc/63/87/30/358638730.db2.gz NBPXSFGFKIPEMO-NWDGAFQWSA-N 2 2 279.388 0.835 20 0 CCADLP [NH3+]CCCCNc1cc(NCCCC[NH3+])[nH+]cn1 ZINC000568257520 358657801 /nfs/dbraw/zinc/65/78/01/358657801.db2.gz POUDNXYSTVZETQ-UHFFFAOYSA-N 3 2 252.366 0.200 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CCN2CCSCC2)n1C ZINC000568272908 358660823 /nfs/dbraw/zinc/66/08/23/358660823.db2.gz CRWODNYKHLHSHV-UHFFFAOYSA-N 2 2 254.403 0.867 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000568882143 358715010 /nfs/dbraw/zinc/71/50/10/358715010.db2.gz XPAWLKBSEBHXHI-JTQLQIEISA-N 2 2 290.371 0.704 20 0 CCADLP CC[C@H](C)[C@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000568974739 358720217 /nfs/dbraw/zinc/72/02/17/358720217.db2.gz QPDHXQPUWWQEGF-SDDRHHMPSA-N 2 2 256.394 0.705 20 0 CCADLP CC[C@H](C)[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000568974739 358720224 /nfs/dbraw/zinc/72/02/24/358720224.db2.gz QPDHXQPUWWQEGF-SDDRHHMPSA-N 2 2 256.394 0.705 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000569010761 358726828 /nfs/dbraw/zinc/72/68/28/358726828.db2.gz RBMHDVRHWYJCHI-LLVKDONJSA-N 2 2 294.321 0.841 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000569010761 358726829 /nfs/dbraw/zinc/72/68/29/358726829.db2.gz RBMHDVRHWYJCHI-LLVKDONJSA-N 2 2 294.321 0.841 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)N[C@H]2CCC[NH2+]C2)CCO1 ZINC000569086844 358732020 /nfs/dbraw/zinc/73/20/20/358732020.db2.gz OHYJITYEYSVYMQ-STQMWFEESA-N 2 2 284.404 0.148 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)N[C@H]2CCC[NH2+]C2)CCO1 ZINC000569086844 358732022 /nfs/dbraw/zinc/73/20/22/358732022.db2.gz OHYJITYEYSVYMQ-STQMWFEESA-N 2 2 284.404 0.148 20 0 CCADLP CCN1CC[NH+]([C@H]2CCN(C(=O)CC[C@@H](C)[NH3+])C2)CC1 ZINC000569217934 358743169 /nfs/dbraw/zinc/74/31/69/358743169.db2.gz QUFIPQVSSUPKGO-KGLIPLIRSA-N 2 2 282.432 0.352 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000569576172 358774840 /nfs/dbraw/zinc/77/48/40/358774840.db2.gz FQUDHOUCTSAWAR-CHWSQXEVSA-N 2 2 284.404 0.006 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000569576172 358774842 /nfs/dbraw/zinc/77/48/42/358774842.db2.gz FQUDHOUCTSAWAR-CHWSQXEVSA-N 2 2 284.404 0.006 20 0 CCADLP COCC1(CC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000569579335 358775534 /nfs/dbraw/zinc/77/55/34/358775534.db2.gz WPTNJUZSQTVOCL-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP CCn1cc([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)CC)cn1 ZINC000569707152 358786572 /nfs/dbraw/zinc/78/65/72/358786572.db2.gz YUMPBQXUJWMHSV-WCQYABFASA-N 2 2 254.378 0.866 20 0 CCADLP CCn1cc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)CC)cn1 ZINC000569707152 358786576 /nfs/dbraw/zinc/78/65/76/358786576.db2.gz YUMPBQXUJWMHSV-WCQYABFASA-N 2 2 254.378 0.866 20 0 CCADLP CCCNC(=O)[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000569707015 358786744 /nfs/dbraw/zinc/78/67/44/358786744.db2.gz WMUHJMIIUUPAPK-ZIAGYGMSSA-N 2 2 285.432 0.537 20 0 CCADLP CCCNC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000569707015 358786747 /nfs/dbraw/zinc/78/67/47/358786747.db2.gz WMUHJMIIUUPAPK-ZIAGYGMSSA-N 2 2 285.432 0.537 20 0 CCADLP CCCNC(=O)[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)CC)C1 ZINC000569707015 358786748 /nfs/dbraw/zinc/78/67/48/358786748.db2.gz WMUHJMIIUUPAPK-ZIAGYGMSSA-N 2 2 285.432 0.537 20 0 CCADLP CCCNC(=O)[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)CC)C1 ZINC000569707015 358786751 /nfs/dbraw/zinc/78/67/51/358786751.db2.gz WMUHJMIIUUPAPK-ZIAGYGMSSA-N 2 2 285.432 0.537 20 0 CCADLP C[C@H](CC(=O)NCC[N@@H+]1CCCOCC1)n1cc[nH+]c1 ZINC000571171827 358918658 /nfs/dbraw/zinc/91/86/58/358918658.db2.gz ZSIGZWCBYMKUMO-CYBMUJFWSA-N 2 2 280.372 0.673 20 0 CCADLP C[C@H](CC(=O)NCC[N@H+]1CCCOCC1)n1cc[nH+]c1 ZINC000571171827 358918660 /nfs/dbraw/zinc/91/86/60/358918660.db2.gz ZSIGZWCBYMKUMO-CYBMUJFWSA-N 2 2 280.372 0.673 20 0 CCADLP C[N@@H+]1CCC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC000573380074 358962211 /nfs/dbraw/zinc/96/22/11/358962211.db2.gz DHHLXBJXYCWCQT-GFCCVEGCSA-N 2 2 250.346 0.731 20 0 CCADLP C[N@H+]1CCC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC000573380074 358962217 /nfs/dbraw/zinc/96/22/17/358962217.db2.gz DHHLXBJXYCWCQT-GFCCVEGCSA-N 2 2 250.346 0.731 20 0 CCADLP CC(=O)c1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000574020728 359021046 /nfs/dbraw/zinc/02/10/46/359021046.db2.gz WZCGGSLAANSOAF-CQSZACIVSA-N 2 2 290.367 0.996 20 0 CCADLP CC(=O)c1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000574020728 359021048 /nfs/dbraw/zinc/02/10/48/359021048.db2.gz WZCGGSLAANSOAF-CQSZACIVSA-N 2 2 290.367 0.996 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000574045083 359022905 /nfs/dbraw/zinc/02/29/05/359022905.db2.gz NJSDVIZJUZCAES-AWEZNQCLSA-N 3 2 296.459 0.646 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000574045083 359022906 /nfs/dbraw/zinc/02/29/06/359022906.db2.gz NJSDVIZJUZCAES-AWEZNQCLSA-N 3 2 296.459 0.646 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@H](O)COc1ccccc1F ZINC000574159002 359033382 /nfs/dbraw/zinc/03/33/82/359033382.db2.gz ZACCSOILILBWQK-NEPJUHHUSA-N 2 2 286.347 0.078 20 0 CCADLP CN(C(=O)[C@@H]([NH3+])c1c(F)cccc1F)[C@@H]1CC[NH2+]C1 ZINC000562805425 291168273 /nfs/dbraw/zinc/16/82/73/291168273.db2.gz UDRUENVJLQHETP-PELKAZGASA-N 2 2 269.295 0.785 20 0 CCADLP C[C@H](CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)n1cc[nH+]c1 ZINC000573856321 359005538 /nfs/dbraw/zinc/00/55/38/359005538.db2.gz WGMXEURCAAIAEV-AGIUHOORSA-N 2 2 262.357 0.902 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)Cc2c[nH+]cn2C)CC[N@H+]1C ZINC000579990468 359074617 /nfs/dbraw/zinc/07/46/17/359074617.db2.gz FMPUYLOMSQTILE-MNOVXSKESA-N 2 2 250.346 0.514 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)Cc2c[nH+]cn2C)CC[N@@H+]1C ZINC000579990468 359074618 /nfs/dbraw/zinc/07/46/18/359074618.db2.gz FMPUYLOMSQTILE-MNOVXSKESA-N 2 2 250.346 0.514 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)OC2(CCC2)C1 ZINC000580343738 359082696 /nfs/dbraw/zinc/08/26/96/359082696.db2.gz XAKZZLPSVGKQQL-ZIAGYGMSSA-N 2 2 286.416 0.569 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)OC2(CCC2)C1 ZINC000580343738 359082699 /nfs/dbraw/zinc/08/26/99/359082699.db2.gz XAKZZLPSVGKQQL-ZIAGYGMSSA-N 2 2 286.416 0.569 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000580343738 359082708 /nfs/dbraw/zinc/08/27/08/359082708.db2.gz XAKZZLPSVGKQQL-ZIAGYGMSSA-N 2 2 286.416 0.569 20 0 CCADLP C[C@@H]1CCC[C@@H]1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000580882070 359103737 /nfs/dbraw/zinc/10/37/37/359103737.db2.gz AWFGUIIHIKVMFA-WOPDTQHZSA-N 2 2 254.378 0.459 20 0 CCADLP C[C@@H]1CCC[C@@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000580882070 359103741 /nfs/dbraw/zinc/10/37/41/359103741.db2.gz AWFGUIIHIKVMFA-WOPDTQHZSA-N 2 2 254.378 0.459 20 0 CCADLP C[C@@H]1CCC[C@H]1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000580882062 359103812 /nfs/dbraw/zinc/10/38/12/359103812.db2.gz AWFGUIIHIKVMFA-GRYCIOLGSA-N 2 2 254.378 0.459 20 0 CCADLP C[C@@H]1CCC[C@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000580882062 359103816 /nfs/dbraw/zinc/10/38/16/359103816.db2.gz AWFGUIIHIKVMFA-GRYCIOLGSA-N 2 2 254.378 0.459 20 0 CCADLP CCN(C)c1ccc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000580952406 359113109 /nfs/dbraw/zinc/11/31/09/359113109.db2.gz CQWCSKDORYJJKB-AWEZNQCLSA-N 2 2 277.416 0.612 20 0 CCADLP CCN(C)c1ccc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000580952406 359113113 /nfs/dbraw/zinc/11/31/13/359113113.db2.gz CQWCSKDORYJJKB-AWEZNQCLSA-N 2 2 277.416 0.612 20 0 CCADLP COc1c(N)[nH+]cnc1N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000580963699 359115292 /nfs/dbraw/zinc/11/52/92/359115292.db2.gz WAOMHUBPQAKTNB-JTQLQIEISA-N 2 2 265.361 0.845 20 0 CCADLP COc1c(N)nc[nH+]c1N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000580963699 359115297 /nfs/dbraw/zinc/11/52/97/359115297.db2.gz WAOMHUBPQAKTNB-JTQLQIEISA-N 2 2 265.361 0.845 20 0 CCADLP COc1c(N)nc[nH+]c1N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000580963699 359115300 /nfs/dbraw/zinc/11/53/00/359115300.db2.gz WAOMHUBPQAKTNB-JTQLQIEISA-N 2 2 265.361 0.845 20 0 CCADLP CC(C)CNC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000584598006 359178219 /nfs/dbraw/zinc/17/82/19/359178219.db2.gz BKFPXTLPEHUFRI-AWEZNQCLSA-N 2 2 253.390 0.834 20 0 CCADLP CC(C)CNC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000584598006 359178222 /nfs/dbraw/zinc/17/82/22/359178222.db2.gz BKFPXTLPEHUFRI-AWEZNQCLSA-N 2 2 253.390 0.834 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C(C)C)[C@@H]1CCOC1 ZINC000584788787 359208786 /nfs/dbraw/zinc/20/87/86/359208786.db2.gz QRCCNMMJIIRGON-ZIAGYGMSSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C(C)C)[C@@H]1CCOC1 ZINC000584788787 359208787 /nfs/dbraw/zinc/20/87/87/359208787.db2.gz QRCCNMMJIIRGON-ZIAGYGMSSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C(C)C)[C@@H]1CCOC1 ZINC000584788787 359208789 /nfs/dbraw/zinc/20/87/89/359208789.db2.gz QRCCNMMJIIRGON-ZIAGYGMSSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C(C)C)[C@@H]1CCOC1 ZINC000584788787 359208791 /nfs/dbraw/zinc/20/87/91/359208791.db2.gz QRCCNMMJIIRGON-ZIAGYGMSSA-N 2 2 274.405 0.425 20 0 CCADLP CC[C@@]1(C)C[N@H+](C[C@H](O)C[NH+](C)CCOC)CCO1 ZINC000562933296 291173486 /nfs/dbraw/zinc/17/34/86/291173486.db2.gz FCWLIGQGTCCVMQ-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP CC[C@@]1(C)C[N@@H+](C[C@H](O)C[NH+](C)CCOC)CCO1 ZINC000562933296 291173488 /nfs/dbraw/zinc/17/34/88/291173488.db2.gz FCWLIGQGTCCVMQ-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP CC[C@@]1(C)C[NH+](C[C@H](O)C[N@H+](C)CCOC)CCO1 ZINC000562933296 291173490 /nfs/dbraw/zinc/17/34/90/291173490.db2.gz FCWLIGQGTCCVMQ-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP CC[C@@]1(C)C[NH+](C[C@H](O)C[N@@H+](C)CCOC)CCO1 ZINC000562933296 291173491 /nfs/dbraw/zinc/17/34/91/291173491.db2.gz FCWLIGQGTCCVMQ-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000562962823 291175458 /nfs/dbraw/zinc/17/54/58/291175458.db2.gz MXZWUDFSMXZNKN-BNOWGMLFSA-N 3 2 255.406 0.861 20 0 CCADLP CSC[C@H](O)C[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000562994069 291179294 /nfs/dbraw/zinc/17/92/94/291179294.db2.gz UQVSGYKEURFLFC-NWDGAFQWSA-N 2 2 262.419 0.268 20 0 CCADLP Cc1ccncc1C[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000563001325 291180745 /nfs/dbraw/zinc/18/07/45/291180745.db2.gz SZZYBKZIRFPQNC-FMKPAKJESA-N 2 2 293.411 0.950 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CCCn1cc[nH+]c1 ZINC000591230116 359571670 /nfs/dbraw/zinc/57/16/70/359571670.db2.gz KASUVXPMRNFGAL-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)CCCn1cc[nH+]c1 ZINC000591230116 359571673 /nfs/dbraw/zinc/57/16/73/359571673.db2.gz KASUVXPMRNFGAL-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP Cn1cc(C[NH+]2CCN(C(=O)CC3(C[NH3+])CC3)CC2)cn1 ZINC000563074806 291188099 /nfs/dbraw/zinc/18/80/99/291188099.db2.gz HXPQJQRAZQQGRE-UHFFFAOYSA-N 2 2 291.399 0.193 20 0 CCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000563077511 291188604 /nfs/dbraw/zinc/18/86/04/291188604.db2.gz HYMAGGBMOQOFBA-MJBXVCDLSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000563077508 291188655 /nfs/dbraw/zinc/18/86/55/291188655.db2.gz HYMAGGBMOQOFBA-BFHYXJOUSA-N 2 2 281.400 0.308 20 0 CCADLP NS(=O)(=O)CCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591868840 359668523 /nfs/dbraw/zinc/66/85/23/359668523.db2.gz GNKSRFODCJIZHA-NSHDSACASA-N 2 2 272.374 0.199 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)NCC[N@H+](C)CC ZINC000297253363 200126727 /nfs/dbraw/zinc/12/67/27/200126727.db2.gz OOSWNQAOUOBUIS-UHFFFAOYSA-N 2 2 253.350 0.654 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)NCC[N@@H+](C)CC ZINC000297253363 200126729 /nfs/dbraw/zinc/12/67/29/200126729.db2.gz OOSWNQAOUOBUIS-UHFFFAOYSA-N 2 2 253.350 0.654 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492861329 237323404 /nfs/dbraw/zinc/32/34/04/237323404.db2.gz QAMHFCSZQCUVDM-DLGQBQFBSA-N 2 2 264.329 0.260 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492861329 237323407 /nfs/dbraw/zinc/32/34/07/237323407.db2.gz QAMHFCSZQCUVDM-DLGQBQFBSA-N 2 2 264.329 0.260 20 0 CCADLP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@@H]1CCC[NH2+]1 ZINC000423093722 299297436 /nfs/dbraw/zinc/29/74/36/299297436.db2.gz AERWDTBNDPNJNU-KBPBESRZSA-N 3 2 268.449 0.743 20 0 CCADLP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CCC[NH2+]1 ZINC000423093722 299297437 /nfs/dbraw/zinc/29/74/37/299297437.db2.gz AERWDTBNDPNJNU-KBPBESRZSA-N 3 2 268.449 0.743 20 0 CCADLP COC(=O)[C@@H]1C[C@H](O)C[N@H+](CCCn2cc[nH+]c2)C1 ZINC000592193220 359782144 /nfs/dbraw/zinc/78/21/44/359782144.db2.gz DOIULZKXXGKJPN-NEPJUHHUSA-N 2 2 267.329 0.129 20 0 CCADLP COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000592193220 359782146 /nfs/dbraw/zinc/78/21/46/359782146.db2.gz DOIULZKXXGKJPN-NEPJUHHUSA-N 2 2 267.329 0.129 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N1CC[NH+](C)CC1 ZINC000297466253 200200618 /nfs/dbraw/zinc/20/06/18/200200618.db2.gz RKQGIIMGAKLPFW-UHFFFAOYSA-N 2 2 264.329 0.547 20 0 CCADLP C[C@H]1C[N@H+](CCSC[C@@H]2C[NH+](C)CCO2)CCO1 ZINC000592359034 359824881 /nfs/dbraw/zinc/82/48/81/359824881.db2.gz OOWXBIGNAGRSAS-STQMWFEESA-N 2 2 274.430 0.771 20 0 CCADLP C[C@H]1C[N@@H+](CCSC[C@@H]2C[NH+](C)CCO2)CCO1 ZINC000592359034 359824888 /nfs/dbraw/zinc/82/48/88/359824888.db2.gz OOWXBIGNAGRSAS-STQMWFEESA-N 2 2 274.430 0.771 20 0 CCADLP C[C@H]1C[NH+](CCSC[C@@H]2C[N@H+](C)CCO2)CCO1 ZINC000592359034 359824893 /nfs/dbraw/zinc/82/48/93/359824893.db2.gz OOWXBIGNAGRSAS-STQMWFEESA-N 2 2 274.430 0.771 20 0 CCADLP C[C@H]1C[NH+](CCSC[C@@H]2C[N@@H+](C)CCO2)CCO1 ZINC000592359034 359824896 /nfs/dbraw/zinc/82/48/96/359824896.db2.gz OOWXBIGNAGRSAS-STQMWFEESA-N 2 2 274.430 0.771 20 0 CCADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NCC(C)C)CC[C@H]1[NH3+] ZINC000592487944 359855127 /nfs/dbraw/zinc/85/51/27/359855127.db2.gz DICCTSBVQBITPG-JHJVBQTASA-N 2 2 298.431 0.916 20 0 CCADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NCC(C)C)CC[C@H]1[NH3+] ZINC000592487944 359855130 /nfs/dbraw/zinc/85/51/30/359855130.db2.gz DICCTSBVQBITPG-JHJVBQTASA-N 2 2 298.431 0.916 20 0 CCADLP NC(=O)NC(=O)CC[N@@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000592495294 359858569 /nfs/dbraw/zinc/85/85/69/359858569.db2.gz RKWXHKCUWVWFRC-GFCCVEGCSA-N 2 2 276.340 0.130 20 0 CCADLP NC(=O)NC(=O)CC[N@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000592495294 359858572 /nfs/dbraw/zinc/85/85/72/359858572.db2.gz RKWXHKCUWVWFRC-GFCCVEGCSA-N 2 2 276.340 0.130 20 0 CCADLP COC(=O)[C@H]1CCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000297841365 200290698 /nfs/dbraw/zinc/29/06/98/200290698.db2.gz OBJOOFLDBYESPX-NSHDSACASA-N 2 2 251.330 0.848 20 0 CCADLP COC(=O)[C@H]1CCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000297841365 200290699 /nfs/dbraw/zinc/29/06/99/200290699.db2.gz OBJOOFLDBYESPX-NSHDSACASA-N 2 2 251.330 0.848 20 0 CCADLP C[C@H](CC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)n1cc[nH+]c1 ZINC000563254227 291209934 /nfs/dbraw/zinc/20/99/34/291209934.db2.gz LHWOQLSQSUWSMU-RDBSUJKOSA-N 2 2 294.399 0.748 20 0 CCADLP C[C@H](CC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C)n1cc[nH+]c1 ZINC000563254227 291209936 /nfs/dbraw/zinc/20/99/36/291209936.db2.gz LHWOQLSQSUWSMU-RDBSUJKOSA-N 2 2 294.399 0.748 20 0 CCADLP CO[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)[C@H](C[NH3+])C1 ZINC000563338128 291214407 /nfs/dbraw/zinc/21/44/07/291214407.db2.gz IRDVHKFIGDYWDF-FRRDWIJNSA-N 2 2 280.372 0.799 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](CC(C)(C)O)C1CC1 ZINC000563354348 291215959 /nfs/dbraw/zinc/21/59/59/291215959.db2.gz QVTIKKHJARWLHE-CYBMUJFWSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](CC(C)(C)O)C1CC1 ZINC000563354348 291215960 /nfs/dbraw/zinc/21/59/60/291215960.db2.gz QVTIKKHJARWLHE-CYBMUJFWSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](CC(C)(C)O)C1CC1 ZINC000563354348 291215961 /nfs/dbraw/zinc/21/59/61/291215961.db2.gz QVTIKKHJARWLHE-CYBMUJFWSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](CC(C)(C)O)C1CC1 ZINC000563354348 291215962 /nfs/dbraw/zinc/21/59/62/291215962.db2.gz QVTIKKHJARWLHE-CYBMUJFWSA-N 2 2 274.405 0.161 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)N(C)C(C)C)CC1 ZINC000563355764 291216523 /nfs/dbraw/zinc/21/65/23/291216523.db2.gz NKEIDSHJMPEKIP-HNNXBMFYSA-N 2 2 299.459 0.878 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)N(C)C(C)C)CC1 ZINC000563355764 291216524 /nfs/dbraw/zinc/21/65/24/291216524.db2.gz NKEIDSHJMPEKIP-HNNXBMFYSA-N 2 2 299.459 0.878 20 0 CCADLP COC(=O)Cc1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000593901221 360199451 /nfs/dbraw/zinc/19/94/51/360199451.db2.gz BZNRAWFSFUAEDO-ZDUSSCGKSA-N 2 2 293.367 0.620 20 0 CCADLP COC(=O)c1cccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000593902404 360201342 /nfs/dbraw/zinc/20/13/42/360201342.db2.gz SRJADWDSCHSCQN-CYBMUJFWSA-N 2 2 293.367 0.368 20 0 CCADLP COC(=O)[C@@]1([NH2+]CCCc2c[nH+]cn2C)CCOC1 ZINC000593968923 360225142 /nfs/dbraw/zinc/22/51/42/360225142.db2.gz OBWLJLYHVIBDST-CYBMUJFWSA-N 2 2 267.329 0.274 20 0 CCADLP COc1cccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1F ZINC000594738112 360370770 /nfs/dbraw/zinc/37/07/70/360370770.db2.gz HRVYIFBLIBENOK-RYUDHWBXSA-N 2 2 293.342 0.578 20 0 CCADLP COc1cccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1F ZINC000594738112 360370776 /nfs/dbraw/zinc/37/07/76/360370776.db2.gz HRVYIFBLIBENOK-RYUDHWBXSA-N 2 2 293.342 0.578 20 0 CCADLP C[C@H](C[NH2+]C[C@H]1CNc2ccnn2C1)[N@H+](C)C1CC1 ZINC000595145456 360443448 /nfs/dbraw/zinc/44/34/48/360443448.db2.gz KFNBFEJPSYRHSM-NEPJUHHUSA-N 2 2 263.389 0.997 20 0 CCADLP C[C@H](C[NH2+]C[C@H]1CNc2ccnn2C1)[N@@H+](C)C1CC1 ZINC000595145456 360443453 /nfs/dbraw/zinc/44/34/53/360443453.db2.gz KFNBFEJPSYRHSM-NEPJUHHUSA-N 2 2 263.389 0.997 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000595148522 360445241 /nfs/dbraw/zinc/44/52/41/360445241.db2.gz YBXLUXPXSVIQTD-ZIAGYGMSSA-N 2 2 293.415 0.625 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000595148522 360445243 /nfs/dbraw/zinc/44/52/43/360445243.db2.gz YBXLUXPXSVIQTD-ZIAGYGMSSA-N 2 2 293.415 0.625 20 0 CCADLP C[C@@H]([NH3+])CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000261858339 296016693 /nfs/dbraw/zinc/01/66/93/296016693.db2.gz PKYXMEQGSIQILI-HIFRSBDPSA-N 2 2 291.395 0.913 20 0 CCADLP C[C@@H](NC(=O)N(C)Cc1c[nH+]c[nH]1)[C@H]1CCC[NH2+]C1 ZINC000563451794 291231525 /nfs/dbraw/zinc/23/15/25/291231525.db2.gz OUTHAFXEHVSWGL-MNOVXSKESA-N 2 2 265.361 0.939 20 0 CCADLP C[C@@H](NC(=O)N(C)Cc1c[nH]c[nH+]1)[C@H]1CCC[NH2+]C1 ZINC000563451794 291231528 /nfs/dbraw/zinc/23/15/28/291231528.db2.gz OUTHAFXEHVSWGL-MNOVXSKESA-N 2 2 265.361 0.939 20 0 CCADLP CN(CCC[NH3+])C(=O)NCCCCn1cc[nH+]c1 ZINC000563457581 291232286 /nfs/dbraw/zinc/23/22/86/291232286.db2.gz MSIYVPXHOICSTB-UHFFFAOYSA-N 2 2 253.350 0.654 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)NCC1CC1 ZINC000178434791 189116211 /nfs/dbraw/zinc/11/62/11/189116211.db2.gz SMPNYQSOEICCGB-UHFFFAOYSA-N 2 2 250.346 0.731 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)NCC1CC1 ZINC000178434791 189116212 /nfs/dbraw/zinc/11/62/12/189116212.db2.gz SMPNYQSOEICCGB-UHFFFAOYSA-N 2 2 250.346 0.731 20 0 CCADLP COC(=O)CCN1CC[C@H]([NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)C1=O ZINC000595893642 360694205 /nfs/dbraw/zinc/69/42/05/360694205.db2.gz TVXNBHVGRMKMIY-ZJQBRPOHSA-N 2 2 297.399 0.127 20 0 CCADLP C[NH2+]CCCC(=O)NCCCNc1cccc[nH+]1 ZINC000178708779 189138919 /nfs/dbraw/zinc/13/89/19/189138919.db2.gz UCLJENIUQLAPIL-UHFFFAOYSA-N 2 2 250.346 0.999 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)c1ccc(C[NH3+])cc1 ZINC000178881787 189152254 /nfs/dbraw/zinc/15/22/54/189152254.db2.gz UHTONTROOMDCOE-CYBMUJFWSA-N 2 2 290.411 0.511 20 0 CCADLP CCc1[nH+]ccn1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000179183278 189175521 /nfs/dbraw/zinc/17/55/21/189175521.db2.gz RNHMWEFPWOCPQL-UHFFFAOYSA-N 2 2 294.399 0.673 20 0 CCADLP C[C@@H]1CC[N@H+](CCCS(N)(=O)=O)C[C@@H]1n1cc[nH+]c1 ZINC000179295210 189183911 /nfs/dbraw/zinc/18/39/11/189183911.db2.gz YCYNYPLEXOHDJO-NEPJUHHUSA-N 2 2 286.401 0.445 20 0 CCADLP C[C@@H]1CC[N@@H+](CCCS(N)(=O)=O)C[C@@H]1n1cc[nH+]c1 ZINC000179295210 189183912 /nfs/dbraw/zinc/18/39/12/189183912.db2.gz YCYNYPLEXOHDJO-NEPJUHHUSA-N 2 2 286.401 0.445 20 0 CCADLP COC(=O)[C@H]1C[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000597222868 361034241 /nfs/dbraw/zinc/03/42/41/361034241.db2.gz ONEWUNVQDONHCS-YUTCNCBUSA-N 2 2 282.384 0.781 20 0 CCADLP CCC[N@@H+]1CC[C@H]([NH2+]C2CCN(CC(=O)OC)CC2)C1 ZINC000597223170 361034299 /nfs/dbraw/zinc/03/42/99/361034299.db2.gz MHZQZJAHXDBDLC-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[N@H+]1CC[C@H]([NH2+]C2CCN(CC(=O)OC)CC2)C1 ZINC000597223170 361034307 /nfs/dbraw/zinc/03/43/07/361034307.db2.gz MHZQZJAHXDBDLC-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](C)S(C)(=O)=O)C1 ZINC000563806527 291251144 /nfs/dbraw/zinc/25/11/44/291251144.db2.gz ZEKHQPKXHGEZDK-STQMWFEESA-N 2 2 276.446 0.987 20 0 CCADLP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@H](C)S(C)(=O)=O)C1 ZINC000563806527 291251146 /nfs/dbraw/zinc/25/11/46/291251146.db2.gz ZEKHQPKXHGEZDK-STQMWFEESA-N 2 2 276.446 0.987 20 0 CCADLP O=C(/C=C/c1[nH]cc[nH+]1)NCCCC[NH+]1CCOCC1 ZINC000493771804 238373186 /nfs/dbraw/zinc/37/31/86/238373186.db2.gz NXXOEEHVRXSVFV-ONEGZZNKSA-N 2 2 278.356 0.652 20 0 CCADLP CSC[C@@H](C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000597989306 361297896 /nfs/dbraw/zinc/29/78/96/361297896.db2.gz CHUNNMQOFBEVJQ-GFCCVEGCSA-N 2 2 275.462 0.985 20 0 CCADLP CSC[C@@H](C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000597989306 361297901 /nfs/dbraw/zinc/29/79/01/361297901.db2.gz CHUNNMQOFBEVJQ-GFCCVEGCSA-N 2 2 275.462 0.985 20 0 CCADLP CO[C@@H]1C[N@H+](CCn2cc[nH+]c2C)C[C@H]1c1c[nH]nn1 ZINC000621316195 366726663 /nfs/dbraw/zinc/72/66/63/366726663.db2.gz HWSYJCAQICJPDP-WCQYABFASA-N 2 2 276.344 0.424 20 0 CCADLP CO[C@@H]1C[N@@H+](CCn2cc[nH+]c2C)C[C@H]1c1c[nH]nn1 ZINC000621316195 366726665 /nfs/dbraw/zinc/72/66/65/366726665.db2.gz HWSYJCAQICJPDP-WCQYABFASA-N 2 2 276.344 0.424 20 0 CCADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1nc(C2CCC2)no1 ZINC000631821616 370687217 /nfs/dbraw/zinc/68/72/17/370687217.db2.gz DHEDKKCWKYBCNU-UHFFFAOYSA-N 2 2 279.388 0.674 20 0 CCADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1nc(C2CCC2)no1 ZINC000631821616 370687222 /nfs/dbraw/zinc/68/72/22/370687222.db2.gz DHEDKKCWKYBCNU-UHFFFAOYSA-N 2 2 279.388 0.674 20 0 CCADLP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000611751453 363776052 /nfs/dbraw/zinc/77/60/52/363776052.db2.gz WGFORRBWKVRRLN-CHWSQXEVSA-N 2 2 276.384 0.904 20 0 CCADLP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000611751453 363776054 /nfs/dbraw/zinc/77/60/54/363776054.db2.gz WGFORRBWKVRRLN-CHWSQXEVSA-N 2 2 276.384 0.904 20 0 CCADLP COC(=O)c1cnc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cn1 ZINC000599292275 361637081 /nfs/dbraw/zinc/63/70/81/361637081.db2.gz ADNHNANDCRVTBG-NSHDSACASA-N 2 2 278.356 0.647 20 0 CCADLP COC(=O)c1cnc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cn1 ZINC000599292275 361637082 /nfs/dbraw/zinc/63/70/82/361637082.db2.gz ADNHNANDCRVTBG-NSHDSACASA-N 2 2 278.356 0.647 20 0 CCADLP COC(=O)CCCC[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000599290025 361637085 /nfs/dbraw/zinc/63/70/85/361637085.db2.gz NWDCGHNPJGPFGT-UHFFFAOYSA-N 2 2 294.399 0.881 20 0 CCADLP CCOC(=O)C[C@@H](O)C[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000599302219 361643562 /nfs/dbraw/zinc/64/35/62/361643562.db2.gz AVSOIDGAXPQBPI-ZIAGYGMSSA-N 2 2 286.416 0.964 20 0 CCADLP CCOC(=O)C[C@@H](O)C[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000599302219 361643565 /nfs/dbraw/zinc/64/35/65/361643565.db2.gz AVSOIDGAXPQBPI-ZIAGYGMSSA-N 2 2 286.416 0.964 20 0 CCADLP COCCOC[C@@H](O)C[NH2+]Cc1ccn2cc[nH+]c2c1 ZINC000564723844 291295369 /nfs/dbraw/zinc/29/53/69/291295369.db2.gz SSNJCTJMYQENLD-ZDUSSCGKSA-N 2 2 279.340 0.448 20 0 CCADLP O=C(C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2)N1CCCCC1 ZINC000631871109 370730459 /nfs/dbraw/zinc/73/04/59/370730459.db2.gz YRESSVFJARZGMZ-OCCSQVGLSA-N 2 2 251.374 0.731 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCCN1C(=O)NC(C)(C)C1=O ZINC000631859245 370720933 /nfs/dbraw/zinc/72/09/33/370720933.db2.gz LKYHSBGISLNDFN-ZJUUUORDSA-N 2 2 268.361 0.128 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCCN1C(=O)NC(C)(C)C1=O ZINC000631859245 370720935 /nfs/dbraw/zinc/72/09/35/370720935.db2.gz LKYHSBGISLNDFN-ZJUUUORDSA-N 2 2 268.361 0.128 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccccc1-n1ccnn1 ZINC000564827964 291303219 /nfs/dbraw/zinc/30/32/19/291303219.db2.gz AOBRNKLMLMNIRW-STQMWFEESA-N 2 2 287.367 0.906 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)no1 ZINC000631867631 370727048 /nfs/dbraw/zinc/72/70/48/370727048.db2.gz GFUPXLPCMHIXTK-RISCZKNCSA-N 2 2 278.356 0.465 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cccn2)C[N@@H+]1C1CC1 ZINC000564850668 291307256 /nfs/dbraw/zinc/30/72/56/291307256.db2.gz XQQYZQZBIHOPOH-MBNYWOFBSA-N 2 2 264.373 0.459 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cccn2)C[N@H+]1C1CC1 ZINC000564850668 291307258 /nfs/dbraw/zinc/30/72/58/291307258.db2.gz XQQYZQZBIHOPOH-MBNYWOFBSA-N 2 2 264.373 0.459 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621682098 366834115 /nfs/dbraw/zinc/83/41/15/366834115.db2.gz ZMYYYDNETVENSO-SQWLQELKSA-N 2 2 295.427 0.827 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621682098 366834122 /nfs/dbraw/zinc/83/41/22/366834122.db2.gz ZMYYYDNETVENSO-SQWLQELKSA-N 2 2 295.427 0.827 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]([NH3+])c2cscn2)C[C@H]1C ZINC000564924191 291316923 /nfs/dbraw/zinc/31/69/23/291316923.db2.gz JCWQEDPBFPRVIU-JFGNBEQYSA-N 2 2 298.412 0.056 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]([NH3+])c2cscn2)C[C@H]1C ZINC000564924191 291316924 /nfs/dbraw/zinc/31/69/24/291316924.db2.gz JCWQEDPBFPRVIU-JFGNBEQYSA-N 2 2 298.412 0.056 20 0 CCADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCOC[C@H]1CCCO1)C2 ZINC000621783229 366865940 /nfs/dbraw/zinc/86/59/40/366865940.db2.gz YWXOHGWTCIKPRE-MCIONIFRSA-N 2 2 254.374 0.995 20 0 CCADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCOC[C@H]1CCCO1)C2 ZINC000621783229 366865945 /nfs/dbraw/zinc/86/59/45/366865945.db2.gz YWXOHGWTCIKPRE-MCIONIFRSA-N 2 2 254.374 0.995 20 0 CCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000564924195 291317006 /nfs/dbraw/zinc/31/70/06/291317006.db2.gz JDRSJZGETVTLPU-KKUMJFAQSA-N 2 2 295.427 0.698 20 0 CCADLP CC(=O)N1CC[C@@H]([NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000621742268 366858456 /nfs/dbraw/zinc/85/84/56/366858456.db2.gz LGVYJAKPPLOHQR-QKCSRTOESA-N 2 2 251.374 0.680 20 0 CCADLP CC(=O)N1CC[C@@H]([NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000621742268 366858460 /nfs/dbraw/zinc/85/84/60/366858460.db2.gz LGVYJAKPPLOHQR-QKCSRTOESA-N 2 2 251.374 0.680 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000614274862 364557712 /nfs/dbraw/zinc/55/77/12/364557712.db2.gz DNGLSGKYAVHKAD-LBPRGKRZSA-N 2 2 274.324 0.994 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)Nc2ccn3cc[nH+]c3c2)C1 ZINC000614274862 364557715 /nfs/dbraw/zinc/55/77/15/364557715.db2.gz DNGLSGKYAVHKAD-LBPRGKRZSA-N 2 2 274.324 0.994 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCCCCO)C[C@H](C)O1 ZINC000564977625 291329555 /nfs/dbraw/zinc/32/95/55/291329555.db2.gz XWNPBXSRSICKBM-HZSPNIEDSA-N 2 2 274.405 0.209 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCCCCO)C[C@H](C)O1 ZINC000564977625 291329558 /nfs/dbraw/zinc/32/95/58/291329558.db2.gz XWNPBXSRSICKBM-HZSPNIEDSA-N 2 2 274.405 0.209 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@@H]2CN(C)C(=O)O2)C1 ZINC000496421274 240052149 /nfs/dbraw/zinc/05/21/49/240052149.db2.gz XKNBADXKLPXFKE-MNOVXSKESA-N 2 2 264.329 0.660 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@@H]2CN(C)C(=O)O2)C1 ZINC000496421274 240052157 /nfs/dbraw/zinc/05/21/57/240052157.db2.gz XKNBADXKLPXFKE-MNOVXSKESA-N 2 2 264.329 0.660 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCOC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000615268459 364900348 /nfs/dbraw/zinc/90/03/48/364900348.db2.gz HJVWKGNJRZRDEU-KBPBESRZSA-N 2 2 292.383 0.582 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCOC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000615268459 364900349 /nfs/dbraw/zinc/90/03/49/364900349.db2.gz HJVWKGNJRZRDEU-KBPBESRZSA-N 2 2 292.383 0.582 20 0 CCADLP CS(=O)(=O)CC1(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000564987203 291331848 /nfs/dbraw/zinc/33/18/48/291331848.db2.gz SNGXUUBQTQKFQZ-ZDUSSCGKSA-N 2 2 286.441 0.887 20 0 CCADLP CS(=O)(=O)CC1(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000564987203 291331849 /nfs/dbraw/zinc/33/18/49/291331849.db2.gz SNGXUUBQTQKFQZ-ZDUSSCGKSA-N 2 2 286.441 0.887 20 0 CCADLP CCOC(=O)N1CCC([NH2+]CC[NH2+]CCOC)CC1 ZINC000496596775 240227850 /nfs/dbraw/zinc/22/78/50/240227850.db2.gz RJFNWGDOJVZEAS-UHFFFAOYSA-N 2 2 273.377 0.433 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000616307504 365258875 /nfs/dbraw/zinc/25/88/75/365258875.db2.gz QPIGNLJFXNBXKI-GHMZBOCLSA-N 2 2 262.357 0.725 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000616307504 365258879 /nfs/dbraw/zinc/25/88/79/365258879.db2.gz QPIGNLJFXNBXKI-GHMZBOCLSA-N 2 2 262.357 0.725 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000616307504 365258885 /nfs/dbraw/zinc/25/88/85/365258885.db2.gz QPIGNLJFXNBXKI-GHMZBOCLSA-N 2 2 262.357 0.725 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000616307504 365258889 /nfs/dbraw/zinc/25/88/89/365258889.db2.gz QPIGNLJFXNBXKI-GHMZBOCLSA-N 2 2 262.357 0.725 20 0 CCADLP COc1c(C)[nH+]cnc1NCCN1CC[NH+](C)CC1 ZINC000656109422 412742781 /nfs/dbraw/zinc/74/27/81/412742781.db2.gz XYTJDEUBZIHNPH-UHFFFAOYSA-N 2 2 265.361 0.453 20 0 CCADLP CC[N@H+](C)C[C@H](O)CN1CC[NH+](Cc2ccco2)CC1 ZINC000565167228 291350700 /nfs/dbraw/zinc/35/07/00/291350700.db2.gz XBKTYXGRLIYYOU-AWEZNQCLSA-N 2 2 281.400 0.710 20 0 CCADLP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](Cc2ccco2)CC1 ZINC000565167228 291350702 /nfs/dbraw/zinc/35/07/02/291350702.db2.gz XBKTYXGRLIYYOU-AWEZNQCLSA-N 2 2 281.400 0.710 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000565167854 291350842 /nfs/dbraw/zinc/35/08/42/291350842.db2.gz ZWWGDOKLZCTXKC-HBNTYKKESA-N 2 2 284.322 0.687 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000565167854 291350845 /nfs/dbraw/zinc/35/08/45/291350845.db2.gz ZWWGDOKLZCTXKC-HBNTYKKESA-N 2 2 284.322 0.687 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000565167854 291350846 /nfs/dbraw/zinc/35/08/46/291350846.db2.gz ZWWGDOKLZCTXKC-HBNTYKKESA-N 2 2 284.322 0.687 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000565167854 291350848 /nfs/dbraw/zinc/35/08/48/291350848.db2.gz ZWWGDOKLZCTXKC-HBNTYKKESA-N 2 2 284.322 0.687 20 0 CCADLP CC(C)(C)n1nnc(CC[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)n1 ZINC000621784791 366867820 /nfs/dbraw/zinc/86/78/20/366867820.db2.gz VDVFXTNTIHJFKR-SMDDNHRTSA-N 2 2 278.404 0.784 20 0 CCADLP CC(C)(C)n1nnc(CC[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)n1 ZINC000621784791 366867822 /nfs/dbraw/zinc/86/78/22/366867822.db2.gz VDVFXTNTIHJFKR-SMDDNHRTSA-N 2 2 278.404 0.784 20 0 CCADLP CC(=O)N[C@@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000565170975 291351252 /nfs/dbraw/zinc/35/12/52/291351252.db2.gz GVCYMBZTPNHWBO-GFCCVEGCSA-N 2 2 250.346 0.563 20 0 CCADLP CC(=O)N[C@@H]1CC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000565170975 291351253 /nfs/dbraw/zinc/35/12/53/291351253.db2.gz GVCYMBZTPNHWBO-GFCCVEGCSA-N 2 2 250.346 0.563 20 0 CCADLP C[C@@H](NC(=O)NC[C@H](C)[NH+](C)C)[C@H](C)[NH+]1CCOCC1 ZINC000454541956 296082536 /nfs/dbraw/zinc/08/25/36/296082536.db2.gz KVXJGJFROOMJDR-XQQFMLRXSA-N 2 2 286.420 0.345 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000565182886 291353775 /nfs/dbraw/zinc/35/37/75/291353775.db2.gz SOJVAFVOTQGVHI-VXGBXAGGSA-N 2 2 250.346 0.730 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000565182886 291353777 /nfs/dbraw/zinc/35/37/77/291353777.db2.gz SOJVAFVOTQGVHI-VXGBXAGGSA-N 2 2 250.346 0.730 20 0 CCADLP CC[NH+]1CCN(CC(=O)N(C)Cc2c[nH+]c[nH]2)CC1 ZINC000616925285 365471498 /nfs/dbraw/zinc/47/14/98/365471498.db2.gz BRYYBIDGELFPMW-UHFFFAOYSA-N 2 2 265.361 0.006 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)CN1CC[NH+](CC)CC1 ZINC000565216786 291362038 /nfs/dbraw/zinc/36/20/38/291362038.db2.gz XPNZDDXLOVFECN-UHFFFAOYSA-N 2 2 279.388 0.157 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CCN2CCOCC2(C)C)n1C ZINC000565238643 291365750 /nfs/dbraw/zinc/36/57/50/291365750.db2.gz QWDVCOSITDWCHM-UHFFFAOYSA-N 2 2 266.389 0.929 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000622124804 367049143 /nfs/dbraw/zinc/04/91/43/367049143.db2.gz ZIVKMDWFHUQIRX-UHFFFAOYSA-N 2 2 294.399 0.580 20 0 CCADLP COCC[N@H+](C)C[C@H](O)Cn1cc[nH+]c1-c1cccnc1 ZINC000656152115 412752083 /nfs/dbraw/zinc/75/20/83/412752083.db2.gz MQXZENPTUQONJO-AWEZNQCLSA-N 2 2 290.367 0.884 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)Cn1cc[nH+]c1-c1cccnc1 ZINC000656152115 412752087 /nfs/dbraw/zinc/75/20/87/412752087.db2.gz MQXZENPTUQONJO-AWEZNQCLSA-N 2 2 290.367 0.884 20 0 CCADLP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623180394 367469051 /nfs/dbraw/zinc/46/90/51/367469051.db2.gz CCSVOOOLKRGFNW-NWDGAFQWSA-N 2 2 264.373 0.935 20 0 CCADLP C[C@@H](CC(=O)N[C@@H]1Cc2c[nH+]cn2C1)n1cc[nH+]c1 ZINC000623255055 367491896 /nfs/dbraw/zinc/49/18/96/367491896.db2.gz ILYNJXHMQWSUSE-WDEREUQCSA-N 2 2 259.313 0.772 20 0 CCADLP O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@H]1CCc2c[nH+]cn2C1 ZINC000623257734 367494539 /nfs/dbraw/zinc/49/45/39/367494539.db2.gz SLERLAGCBIKTDK-QWRGUYRKSA-N 2 2 271.324 0.383 20 0 CCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1Cc3c[nH+]cn3C1)CC2 ZINC000623259091 367496216 /nfs/dbraw/zinc/49/62/16/367496216.db2.gz QTDKOXOTLXDHKB-NWDGAFQWSA-N 2 2 285.351 0.692 20 0 CCADLP CCC[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623177351 367466204 /nfs/dbraw/zinc/46/62/04/367466204.db2.gz SWOWTQZWLMFUCF-LLVKDONJSA-N 2 2 250.346 0.561 20 0 CCADLP C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000623461226 367567342 /nfs/dbraw/zinc/56/73/42/367567342.db2.gz CXCYRULFKXNFFD-ZIAGYGMSSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000623461226 367567345 /nfs/dbraw/zinc/56/73/45/367567345.db2.gz CXCYRULFKXNFFD-ZIAGYGMSSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@@H]1CCC[NH+](CCNC(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000623461226 367567353 /nfs/dbraw/zinc/56/73/53/367567353.db2.gz CXCYRULFKXNFFD-ZIAGYGMSSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@@H]1CCC[NH+](CCNC(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000623461226 367567359 /nfs/dbraw/zinc/56/73/59/367567359.db2.gz CXCYRULFKXNFFD-ZIAGYGMSSA-N 2 2 298.431 0.348 20 0 CCADLP Cn1nccc1[C@@H](CO)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623547687 367590217 /nfs/dbraw/zinc/59/02/17/367590217.db2.gz YDEFTHINXGVIDW-NWDGAFQWSA-N 2 2 266.389 0.916 20 0 CCADLP Cn1nccc1[C@@H](CO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623547687 367590226 /nfs/dbraw/zinc/59/02/26/367590226.db2.gz YDEFTHINXGVIDW-NWDGAFQWSA-N 2 2 266.389 0.916 20 0 CCADLP O[C@@H]1CC[N@H+](CC[NH2+]Cc2c[nH]nc2-c2cccnc2)C1 ZINC000623758196 367646767 /nfs/dbraw/zinc/64/67/67/367646767.db2.gz SEFPSPWMMRVSGG-CQSZACIVSA-N 2 2 287.367 0.628 20 0 CCADLP O[C@@H]1CC[N@@H+](CC[NH2+]Cc2c[nH]nc2-c2cccnc2)C1 ZINC000623758196 367646775 /nfs/dbraw/zinc/64/67/75/367646775.db2.gz SEFPSPWMMRVSGG-CQSZACIVSA-N 2 2 287.367 0.628 20 0 CCADLP CC(C)[C@H]1C[C@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)CCO1 ZINC000623758685 367647262 /nfs/dbraw/zinc/64/72/62/367647262.db2.gz KTEVUOQRGKFXLR-MGPQQGTHSA-N 2 2 256.390 0.846 20 0 CCADLP CC(C)[C@H]1C[C@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)CCO1 ZINC000623758685 367647266 /nfs/dbraw/zinc/64/72/66/367647266.db2.gz KTEVUOQRGKFXLR-MGPQQGTHSA-N 2 2 256.390 0.846 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000566352053 291396585 /nfs/dbraw/zinc/39/65/85/291396585.db2.gz STZDEMAZDQDPJR-WFASDCNBSA-N 2 2 293.415 0.832 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000566352053 291396586 /nfs/dbraw/zinc/39/65/86/291396586.db2.gz STZDEMAZDQDPJR-WFASDCNBSA-N 2 2 293.415 0.832 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000566352053 291396588 /nfs/dbraw/zinc/39/65/88/291396588.db2.gz STZDEMAZDQDPJR-WFASDCNBSA-N 2 2 293.415 0.832 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000566352053 291396592 /nfs/dbraw/zinc/39/65/92/291396592.db2.gz STZDEMAZDQDPJR-WFASDCNBSA-N 2 2 293.415 0.832 20 0 CCADLP CN(CC[C@H]1CCCC[N@@H+]1C)c1nc(N)nc(N)[nH+]1 ZINC000624000570 367721471 /nfs/dbraw/zinc/72/14/71/367721471.db2.gz GGQPJNZTZCQZGB-SECBINFHSA-N 2 2 265.365 0.007 20 0 CCADLP CN(CC[C@H]1CCCC[N@H+]1C)c1nc(N)nc(N)[nH+]1 ZINC000624000570 367721472 /nfs/dbraw/zinc/72/14/72/367721472.db2.gz GGQPJNZTZCQZGB-SECBINFHSA-N 2 2 265.365 0.007 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCC[NH+]2CCC[C@H]2C(N)=O)CC[N@@H+]1C ZINC000624085373 367747522 /nfs/dbraw/zinc/74/75/22/367747522.db2.gz PWHACXQJIZPFFV-MJBXVCDLSA-N 3 2 282.432 0.399 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCC[NH+]2CCC[C@H]2C(N)=O)CC[N@H+]1C ZINC000624085373 367747529 /nfs/dbraw/zinc/74/75/29/367747529.db2.gz PWHACXQJIZPFFV-MJBXVCDLSA-N 3 2 282.432 0.399 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CC[NH+]1C ZINC000624085373 367747537 /nfs/dbraw/zinc/74/75/37/367747537.db2.gz PWHACXQJIZPFFV-MJBXVCDLSA-N 3 2 282.432 0.399 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CC[NH+]1C ZINC000624085373 367747546 /nfs/dbraw/zinc/74/75/46/367747546.db2.gz PWHACXQJIZPFFV-MJBXVCDLSA-N 3 2 282.432 0.399 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)[C@@H]1CCOC1 ZINC000624085166 367747945 /nfs/dbraw/zinc/74/79/45/367747945.db2.gz BRSOEHYDXLYCHA-UPJWGTAASA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)[C@@H]1CCOC1 ZINC000624085166 367747950 /nfs/dbraw/zinc/74/79/50/367747950.db2.gz BRSOEHYDXLYCHA-UPJWGTAASA-N 2 2 269.389 0.341 20 0 CCADLP CN(CCCn1cc[nH+]c1)S(=O)(=O)CCC[NH+](C)C ZINC000632119617 370878127 /nfs/dbraw/zinc/87/81/27/370878127.db2.gz YWSMPUOAWIXYGK-UHFFFAOYSA-N 2 2 288.417 0.487 20 0 CCADLP CN1CCOC[C@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000624173261 367775251 /nfs/dbraw/zinc/77/52/51/367775251.db2.gz BTVICQOOTVMPCP-OAHLLOKOSA-N 2 2 290.411 0.971 20 0 CCADLP C[N@@H+]1CCN(c2nc(N)[nH+]c(N)n2)C[C@@H]1Cc1ccccc1 ZINC000624192011 367784087 /nfs/dbraw/zinc/78/40/87/367784087.db2.gz GZIIBVACFGASGA-LBPRGKRZSA-N 2 2 299.382 0.060 20 0 CCADLP C[N@H+]1CCN(c2nc(N)[nH+]c(N)n2)C[C@@H]1Cc1ccccc1 ZINC000624192011 367784093 /nfs/dbraw/zinc/78/40/93/367784093.db2.gz GZIIBVACFGASGA-LBPRGKRZSA-N 2 2 299.382 0.060 20 0 CCADLP O[C@@H]1CCN(CC[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000624230748 367797958 /nfs/dbraw/zinc/79/79/58/367797958.db2.gz GBZAIGWICIKJMR-CQSZACIVSA-N 2 2 253.390 0.269 20 0 CCADLP CCc1nc(NC[C@H]2COCC[N@@H+]2C)cc(C)[nH+]1 ZINC000624621084 367932711 /nfs/dbraw/zinc/93/27/11/367932711.db2.gz SZMNSFFLNAHFGC-NSHDSACASA-N 2 2 250.346 0.512 20 0 CCADLP CCc1nc(NC[C@H]2COCC[N@H+]2C)cc(C)[nH+]1 ZINC000624621084 367932716 /nfs/dbraw/zinc/93/27/16/367932716.db2.gz SZMNSFFLNAHFGC-NSHDSACASA-N 2 2 250.346 0.512 20 0 CCADLP O[C@@H]1CC[N@H+](CCNc2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000624678875 367952722 /nfs/dbraw/zinc/95/27/22/367952722.db2.gz SAPRGGHETBRZHZ-LLVKDONJSA-N 2 2 274.328 0.141 20 0 CCADLP O[C@@H]1CC[N@@H+](CCNc2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000624678875 367952726 /nfs/dbraw/zinc/95/27/26/367952726.db2.gz SAPRGGHETBRZHZ-LLVKDONJSA-N 2 2 274.328 0.141 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000624729631 367969419 /nfs/dbraw/zinc/96/94/19/367969419.db2.gz PSUXJRZMGJZYEG-CQSZACIVSA-N 2 2 292.383 0.596 20 0 CCADLP COC1CC(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000625520830 368231002 /nfs/dbraw/zinc/23/10/02/368231002.db2.gz YGROUCMYBVYJEQ-OWYJLGKBSA-N 2 2 295.427 0.696 20 0 CCADLP COC1CC(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000625520830 368231005 /nfs/dbraw/zinc/23/10/05/368231005.db2.gz YGROUCMYBVYJEQ-OWYJLGKBSA-N 2 2 295.427 0.696 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CC(C)C2)CC1 ZINC000566628618 291428212 /nfs/dbraw/zinc/42/82/12/291428212.db2.gz IIMIBUCSVBZIEA-KGLIPLIRSA-N 2 2 283.416 0.242 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC000335559634 284052144 /nfs/dbraw/zinc/05/21/44/284052144.db2.gz QMNDBISIZNEQGI-NWDGAFQWSA-N 2 2 274.368 0.798 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC000335559634 284052145 /nfs/dbraw/zinc/05/21/45/284052145.db2.gz QMNDBISIZNEQGI-NWDGAFQWSA-N 2 2 274.368 0.798 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1[C@H](C)C[NH+](C)C[C@H]1C ZINC000626269798 368502929 /nfs/dbraw/zinc/50/29/29/368502929.db2.gz CLUOAXRLTBOXDZ-VXGBXAGGSA-N 2 2 250.346 0.743 20 0 CCADLP CCN(CC[NH3+])C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000626962433 368698373 /nfs/dbraw/zinc/69/83/73/368698373.db2.gz PCCFJPPOVDTCIB-UHFFFAOYSA-N 2 2 272.393 0.087 20 0 CCADLP CCN(CC[NH3+])C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000626962433 368698377 /nfs/dbraw/zinc/69/83/77/368698377.db2.gz PCCFJPPOVDTCIB-UHFFFAOYSA-N 2 2 272.393 0.087 20 0 CCADLP C[C@@H](NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[C@@H](C)[NH+]1CCOCC1 ZINC000626970804 368703194 /nfs/dbraw/zinc/70/31/94/368703194.db2.gz UURIJWASNHIILO-SYQHCUMBSA-N 2 2 298.431 0.535 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NCC1([NH3+])CCCCCC1 ZINC000627063249 368765085 /nfs/dbraw/zinc/76/50/85/368765085.db2.gz PLIZGEKPIWQMKF-ZDUSSCGKSA-N 2 2 298.431 0.668 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NCC1([NH3+])CCCCCC1 ZINC000627063249 368765087 /nfs/dbraw/zinc/76/50/87/368765087.db2.gz PLIZGEKPIWQMKF-ZDUSSCGKSA-N 2 2 298.431 0.668 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000627074484 368771232 /nfs/dbraw/zinc/77/12/32/368771232.db2.gz JOTVCXQHZPLIAR-KGLIPLIRSA-N 2 2 298.431 0.524 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000627074484 368771236 /nfs/dbraw/zinc/77/12/36/368771236.db2.gz JOTVCXQHZPLIAR-KGLIPLIRSA-N 2 2 298.431 0.524 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000627084821 368783388 /nfs/dbraw/zinc/78/33/88/368783388.db2.gz FIKIIXYMSXEVNL-JSGCOSHPSA-N 2 2 284.404 0.006 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000627084821 368783395 /nfs/dbraw/zinc/78/33/95/368783395.db2.gz FIKIIXYMSXEVNL-JSGCOSHPSA-N 2 2 284.404 0.006 20 0 CCADLP C[NH2+]CCC1CCN(C(=O)[C@H]([NH3+])c2cscn2)CC1 ZINC000574276125 335006133 /nfs/dbraw/zinc/00/61/33/335006133.db2.gz IRQVWOLBCAZLKY-GFCCVEGCSA-N 2 2 282.413 0.991 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000330675252 203104637 /nfs/dbraw/zinc/10/46/37/203104637.db2.gz JBTKFSLGHHIOQK-WDEREUQCSA-N 2 2 250.346 0.512 20 0 CCADLP C[C@@H](CC(=O)NC1CC([NH+]2CCOCC2)C1)n1cc[nH+]c1 ZINC000627942331 369143038 /nfs/dbraw/zinc/14/30/38/369143038.db2.gz OYTSYYKLYPMXRE-HSBZDZAISA-N 2 2 292.383 0.814 20 0 CCADLP COC1CC(C(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000628062089 369173968 /nfs/dbraw/zinc/17/39/68/369173968.db2.gz WNSXMRLVRZEPTA-UHFFFAOYSA-N 2 2 271.405 0.411 20 0 CCADLP COC1CC(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000628062089 369173972 /nfs/dbraw/zinc/17/39/72/369173972.db2.gz WNSXMRLVRZEPTA-UHFFFAOYSA-N 2 2 271.405 0.411 20 0 CCADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]21 ZINC000574338291 335012093 /nfs/dbraw/zinc/01/20/93/335012093.db2.gz RRUMHPDDPDVSGC-ZIAGYGMSSA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+]1CCO[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]21 ZINC000574338291 335012095 /nfs/dbraw/zinc/01/20/95/335012095.db2.gz RRUMHPDDPDVSGC-ZIAGYGMSSA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+]1CCO[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]21 ZINC000574338291 335012096 /nfs/dbraw/zinc/01/20/96/335012096.db2.gz RRUMHPDDPDVSGC-ZIAGYGMSSA-N 2 2 295.427 0.650 20 0 CCADLP Cc1[nH]c(CN2CCN(CC[NH+](C)C)C(=O)C2)[nH+]c1C ZINC000628323938 369241324 /nfs/dbraw/zinc/24/13/24/369241324.db2.gz VXHHWNMQPBLQPK-UHFFFAOYSA-N 2 2 279.388 0.232 20 0 CCADLP C[N@@H+]1CCCC[C@H](CNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000628747068 369373512 /nfs/dbraw/zinc/37/35/12/369373512.db2.gz KZKAEJSHFIYVEY-CQSZACIVSA-N 2 2 297.443 0.945 20 0 CCADLP C[N@H+]1CCCC[C@H](CNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000628747068 369373517 /nfs/dbraw/zinc/37/35/17/369373517.db2.gz KZKAEJSHFIYVEY-CQSZACIVSA-N 2 2 297.443 0.945 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000628911899 369443226 /nfs/dbraw/zinc/44/32/26/369443226.db2.gz COUMXYOJZRUCBE-HNNXBMFYSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000628911899 369443232 /nfs/dbraw/zinc/44/32/32/369443232.db2.gz COUMXYOJZRUCBE-HNNXBMFYSA-N 2 2 295.427 0.698 20 0 CCADLP CC[C@H](C(=O)NC[C@H]1COCC[N@@H+]1C)[NH+](CC)CC ZINC000628915435 369452773 /nfs/dbraw/zinc/45/27/73/369452773.db2.gz BKWOUTKQUURMID-QWHCGFSZSA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@H](C(=O)NC[C@H]1COCC[N@H+]1C)[NH+](CC)CC ZINC000628915435 369452776 /nfs/dbraw/zinc/45/27/76/369452776.db2.gz BKWOUTKQUURMID-QWHCGFSZSA-N 2 2 271.405 0.554 20 0 CCADLP C[NH+]1CCC(CC(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000628915139 369452848 /nfs/dbraw/zinc/45/28/48/369452848.db2.gz PROGOXCRXYTSEF-ZDUSSCGKSA-N 2 2 269.389 0.165 20 0 CCADLP C[NH+]1CCC(CC(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000628915139 369452852 /nfs/dbraw/zinc/45/28/52/369452852.db2.gz PROGOXCRXYTSEF-ZDUSSCGKSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000628917706 369458955 /nfs/dbraw/zinc/45/89/55/369458955.db2.gz ODZJBBJLHVQLGC-JHJVBQTASA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000628917706 369458959 /nfs/dbraw/zinc/45/89/59/369458959.db2.gz ODZJBBJLHVQLGC-JHJVBQTASA-N 2 2 269.389 0.306 20 0 CCADLP [NH3+]C1(C[NH2+]C2CC[NH+](CC3CC3)CC2)CCOCC1 ZINC000629387297 369651082 /nfs/dbraw/zinc/65/10/82/369651082.db2.gz DNAOGVWWQMASEE-UHFFFAOYSA-N 3 2 267.417 0.958 20 0 CCADLP CCNC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563435 369709896 /nfs/dbraw/zinc/70/98/96/369709896.db2.gz PSFUWFORTQEZMM-IUCAKERBSA-N 2 2 267.295 0.582 20 0 CCADLP CCNC(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629563435 369709901 /nfs/dbraw/zinc/70/99/01/369709901.db2.gz PSFUWFORTQEZMM-IUCAKERBSA-N 2 2 267.295 0.582 20 0 CCADLP CN(C(=O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CCCCC1 ZINC000629562676 369710568 /nfs/dbraw/zinc/71/05/68/369710568.db2.gz CAJPKHZDLQXVIY-OAHLLOKOSA-N 2 2 297.443 0.824 20 0 CCADLP Cc1cc(C[C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)n[nH]1 ZINC000629571295 369716376 /nfs/dbraw/zinc/71/63/76/369716376.db2.gz KOVCCIIMZREKJI-RISCZKNCSA-N 2 2 266.389 0.695 20 0 CCADLP [NH3+]CCCOCC[NH2+][C@H](c1cnn[nH]1)c1ccc(F)cc1 ZINC000629535652 369694870 /nfs/dbraw/zinc/69/48/70/369694870.db2.gz DAJNVTQGEWOCMP-AWEZNQCLSA-N 2 2 293.346 0.988 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C[NH2+]1 ZINC000629541279 369697705 /nfs/dbraw/zinc/69/77/05/369697705.db2.gz SUPHTVURHYOODS-GZBLMMOJSA-N 3 2 267.417 0.874 20 0 CCADLP Cc1noc([C@H]2OCC[C@H]2[NH2+][C@H](C)[C@H]2CCC[NH2+]2)n1 ZINC000629544559 369698573 /nfs/dbraw/zinc/69/85/73/369698573.db2.gz AJWSNBIOHMHFGE-HKWIRBFKSA-N 2 2 266.345 0.938 20 0 CCADLP Cc1noc([C@H]2OCC[C@H]2[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)n1 ZINC000629545433 369699518 /nfs/dbraw/zinc/69/95/18/369699518.db2.gz IWMRTFLAXJTGQW-MGAJPHDKSA-N 2 2 296.371 0.565 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC000629556138 369705752 /nfs/dbraw/zinc/70/57/52/369705752.db2.gz KUXVLZKIJKGERD-BZPMIXESSA-N 2 2 281.400 0.496 20 0 CCADLP O=C1[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CCN1C1CCC1 ZINC000629618041 369743248 /nfs/dbraw/zinc/74/32/48/369743248.db2.gz SIBQKDUVHQJIPI-KBPBESRZSA-N 2 2 281.400 0.186 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@H]2CCN(C3CCC3)C2=O)C1 ZINC000629674207 369753017 /nfs/dbraw/zinc/75/30/17/369753017.db2.gz YLXSBDYHFQBOCU-LOWVWBTDSA-N 2 2 251.374 0.727 20 0 CCADLP C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1[NH+]1CCOCC1 ZINC000276538902 193372305 /nfs/dbraw/zinc/37/23/05/193372305.db2.gz FZZKQNMNEGLIDU-SDEBIZQBSA-N 2 2 290.367 0.602 20 0 CCADLP O=C1NCC[NH2+][C@@H]1c1cccc(C2=CC[NH2+]CC2)c1 ZINC000629723267 369764549 /nfs/dbraw/zinc/76/45/49/369764549.db2.gz LUGYZJUAOJLCFV-CQSZACIVSA-N 2 2 257.337 0.824 20 0 CCADLP O[C@H](C[NH2+][C@@H]1c2ccccc2C[C@@H]1O)C[NH+]1CCCC1 ZINC000629583154 369726129 /nfs/dbraw/zinc/72/61/29/369726129.db2.gz RXXYSBRXHGELBT-VNQPRFMTSA-N 2 2 276.380 0.691 20 0 CCADLP O[C@@H](C[NH2+][C@H]1c2ccccc2C[C@H]1O)C[NH+]1CCCC1 ZINC000629583153 369726852 /nfs/dbraw/zinc/72/68/52/369726852.db2.gz RXXYSBRXHGELBT-IMJJTQAJSA-N 2 2 276.380 0.691 20 0 CCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CC(=O)NC1CCCC1)C2 ZINC000629585074 369730055 /nfs/dbraw/zinc/73/00/55/369730055.db2.gz ZTDVKZUYEOAYMF-GASCZTMLSA-N 2 2 265.401 0.977 20 0 CCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CC(=O)NC1CCCC1)C2 ZINC000629585074 369730058 /nfs/dbraw/zinc/73/00/58/369730058.db2.gz ZTDVKZUYEOAYMF-GASCZTMLSA-N 2 2 265.401 0.977 20 0 CCADLP C[C@@H](O)[C@H]1CCN(c2cc(N[C@@H]3CC[NH2+][C@H]3C)nc[nH+]2)C1 ZINC000630546569 370162210 /nfs/dbraw/zinc/16/22/10/370162210.db2.gz XHTUXJLAVUHKRT-QNWHQSFQSA-N 2 2 291.399 0.846 20 0 CCADLP CCCCNc1cc(NC2CC[NH2+]CC2)nc(N)[nH+]1 ZINC000630552530 370163407 /nfs/dbraw/zinc/16/34/07/370163407.db2.gz JGTALHXVNOFZDC-UHFFFAOYSA-N 2 2 264.377 0.687 20 0 CCADLP CCCCNc1cc(NC2CC[NH2+]CC2)[nH+]c(N)n1 ZINC000630552530 370163416 /nfs/dbraw/zinc/16/34/16/370163416.db2.gz JGTALHXVNOFZDC-UHFFFAOYSA-N 2 2 264.377 0.687 20 0 CCADLP CC(=O)c1cn(CC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000630612742 370209872 /nfs/dbraw/zinc/20/98/72/370209872.db2.gz YPWYLEKYWVHTFD-UHFFFAOYSA-N 2 2 253.350 0.364 20 0 CCADLP CC(=O)c1cn(CC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000630612742 370209878 /nfs/dbraw/zinc/20/98/78/370209878.db2.gz YPWYLEKYWVHTFD-UHFFFAOYSA-N 2 2 253.350 0.364 20 0 CCADLP COC[C@H]([NH3+])Cc1cn(-c2ccc3[nH]c(C)[nH+]c3c2)nn1 ZINC000630585418 370189094 /nfs/dbraw/zinc/18/90/94/370189094.db2.gz CMKUKBMQGKOLLB-SNVBAGLBSA-N 2 2 286.339 0.968 20 0 CCADLP COC[C@H]([NH3+])Cc1cn(-c2ccc3[nH+]c(C)[nH]c3c2)nn1 ZINC000630585418 370189098 /nfs/dbraw/zinc/18/90/98/370189098.db2.gz CMKUKBMQGKOLLB-SNVBAGLBSA-N 2 2 286.339 0.968 20 0 CCADLP COC1CC[NH+](Cc2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000630596772 370196731 /nfs/dbraw/zinc/19/67/31/370196731.db2.gz RJWOHBZPXXYYBP-CYBMUJFWSA-N 2 2 279.388 0.813 20 0 CCADLP [NH3+]C[C@@H](O)CCc1cn(Cc2cn3ccccc3[nH+]2)nn1 ZINC000630601896 370201735 /nfs/dbraw/zinc/20/17/35/370201735.db2.gz OXMJETCDKXSQGI-ZDUSSCGKSA-N 2 2 286.339 0.226 20 0 CCADLP Cc1nc(NC[C@@H](c2ccc(F)cc2)[NH+](C)C)nc(N)[nH+]1 ZINC000631064116 370373066 /nfs/dbraw/zinc/37/30/66/370373066.db2.gz ISAKWJALQFVYBQ-LBPRGKRZSA-N 2 2 290.346 0.868 20 0 CCADLP COCC[N@@H+]1CC[C@H]([NH2+]CC[C@@H](O)C(F)F)C1 ZINC000631217539 370426339 /nfs/dbraw/zinc/42/63/39/370426339.db2.gz YJSDTVQJIUVMFR-VHSXEESVSA-N 2 2 252.305 0.313 20 0 CCADLP COCC[N@H+]1CC[C@H]([NH2+]CC[C@@H](O)C(F)F)C1 ZINC000631217539 370426345 /nfs/dbraw/zinc/42/63/45/370426345.db2.gz YJSDTVQJIUVMFR-VHSXEESVSA-N 2 2 252.305 0.313 20 0 CCADLP CNS(=O)(=O)CCC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000631229016 370429144 /nfs/dbraw/zinc/42/91/44/370429144.db2.gz FTJINNKDGGYBNE-UHFFFAOYSA-N 2 2 282.369 0.363 20 0 CCADLP CC[NH+](CC)CCO[C@H]1CCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000631142389 370396672 /nfs/dbraw/zinc/39/66/72/370396672.db2.gz KWJTXIBKWHGIKQ-LBPRGKRZSA-N 2 2 294.403 0.530 20 0 CCADLP CC[NH+](CC)CCO[C@H]1CCN(c2nc(N)nc(C)[nH+]2)C1 ZINC000631142389 370396676 /nfs/dbraw/zinc/39/66/76/370396676.db2.gz KWJTXIBKWHGIKQ-LBPRGKRZSA-N 2 2 294.403 0.530 20 0 CCADLP C[NH+](C)CCn1cc(C(=O)NCc2[nH]cc[nH+]2)cn1 ZINC000631239802 370435357 /nfs/dbraw/zinc/43/53/57/370435357.db2.gz WNJDXODXERXZSY-UHFFFAOYSA-N 2 2 262.317 0.098 20 0 CCADLP Cc1cc(CNc2nc(C)[nH+]c(N)n2)cc(N2CCCC2)[nH+]1 ZINC000631277670 370451573 /nfs/dbraw/zinc/45/15/73/370451573.db2.gz HZXVRKAINABUFR-UHFFFAOYSA-N 2 2 299.382 0.930 20 0 CCADLP Cc1cc(CNc2nc(N)nc(C)[nH+]2)cc(N2CCCC2)[nH+]1 ZINC000631277670 370451580 /nfs/dbraw/zinc/45/15/80/370451580.db2.gz HZXVRKAINABUFR-UHFFFAOYSA-N 2 2 299.382 0.930 20 0 CCADLP Cn1ncc2c1nc[nH+]c2N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000631344830 370485527 /nfs/dbraw/zinc/48/55/27/370485527.db2.gz UTJZKIGIJKAKPZ-AWEZNQCLSA-N 2 2 290.371 0.256 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@H](C)O1 ZINC000631626463 370614443 /nfs/dbraw/zinc/61/44/43/370614443.db2.gz YAQGOHDHELMWPI-VNHYZAJKSA-N 2 2 297.443 0.942 20 0 CCADLP CCN(CCC[NH+](C)C)C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632580730 371157652 /nfs/dbraw/zinc/15/76/52/371157652.db2.gz CVUFZKAPBYNFDB-UHFFFAOYSA-N 2 2 295.387 0.168 20 0 CCADLP COC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343884202 284262520 /nfs/dbraw/zinc/26/25/20/284262520.db2.gz DOSNMUUZORFSJL-MELADBBJSA-N 2 2 283.416 0.506 20 0 CCADLP COC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343884202 284262526 /nfs/dbraw/zinc/26/25/26/284262526.db2.gz DOSNMUUZORFSJL-MELADBBJSA-N 2 2 283.416 0.506 20 0 CCADLP Cc1nnc([C@H]2C[N@H+](CCn3cc[nH+]c3C)CCO2)[nH]1 ZINC000331805973 204182791 /nfs/dbraw/zinc/18/27/91/204182791.db2.gz ROPFTSGSRXOXIE-GFCCVEGCSA-N 2 2 276.344 0.692 20 0 CCADLP Cc1nnc([C@H]2C[N@@H+](CCn3cc[nH+]c3C)CCO2)[nH]1 ZINC000331805973 204182796 /nfs/dbraw/zinc/18/27/96/204182796.db2.gz ROPFTSGSRXOXIE-GFCCVEGCSA-N 2 2 276.344 0.692 20 0 CCADLP CCN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371301014 284273688 /nfs/dbraw/zinc/27/36/88/284273688.db2.gz SBQVIWURRCZDGO-BFHYXJOUSA-N 2 2 283.416 0.648 20 0 CCADLP CCN(C)C(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371301014 284273690 /nfs/dbraw/zinc/27/36/90/284273690.db2.gz SBQVIWURRCZDGO-BFHYXJOUSA-N 2 2 283.416 0.648 20 0 CCADLP C[NH+](C)CCn1cc(C(=O)N2CCn3c[nH+]cc3C2)cn1 ZINC000633141084 371413027 /nfs/dbraw/zinc/41/30/27/371413027.db2.gz YUNXLKZZMNQKMJ-UHFFFAOYSA-N 2 2 288.355 0.297 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ncccc1N ZINC000633618366 371634039 /nfs/dbraw/zinc/63/40/39/371634039.db2.gz PHHQSUFBDRNOLW-UHFFFAOYSA-N 2 2 279.388 0.277 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ncccc1N ZINC000633618366 371634041 /nfs/dbraw/zinc/63/40/41/371634041.db2.gz PHHQSUFBDRNOLW-UHFFFAOYSA-N 2 2 279.388 0.277 20 0 CCADLP Cc1cc(C)c(CNC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c[nH+]1 ZINC000633716325 371697095 /nfs/dbraw/zinc/69/70/95/371697095.db2.gz VEQVBXDPWFWJRW-GXTWGEPZSA-N 2 2 292.383 0.956 20 0 CCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C3(O)CCC3)c2)CC1 ZINC000634194345 371944491 /nfs/dbraw/zinc/94/44/91/371944491.db2.gz UTDAKEPVNYVDCJ-UHFFFAOYSA-N 2 2 290.367 0.687 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)C1 ZINC000634708585 372153698 /nfs/dbraw/zinc/15/36/98/372153698.db2.gz WVOXJJSZGVELMJ-SPWCGHHHSA-N 2 2 270.417 0.828 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)C1 ZINC000634708585 372153704 /nfs/dbraw/zinc/15/37/04/372153704.db2.gz WVOXJJSZGVELMJ-SPWCGHHHSA-N 2 2 270.417 0.828 20 0 CCADLP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC000634741053 372186205 /nfs/dbraw/zinc/18/62/05/372186205.db2.gz QVNCUNYHNGBZLB-WQVCFCJDSA-N 2 2 288.395 0.904 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCO[C@@H](C(F)F)CC1 ZINC000634758961 372204866 /nfs/dbraw/zinc/20/48/66/372204866.db2.gz ZFLHPQPQNUJYEM-VXGBXAGGSA-N 2 2 296.358 0.282 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCO[C@@H](C(F)F)CC1 ZINC000634758961 372204868 /nfs/dbraw/zinc/20/48/68/372204868.db2.gz ZFLHPQPQNUJYEM-VXGBXAGGSA-N 2 2 296.358 0.282 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634758961 372204873 /nfs/dbraw/zinc/20/48/73/372204873.db2.gz ZFLHPQPQNUJYEM-VXGBXAGGSA-N 2 2 296.358 0.282 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634758961 372204878 /nfs/dbraw/zinc/20/48/78/372204878.db2.gz ZFLHPQPQNUJYEM-VXGBXAGGSA-N 2 2 296.358 0.282 20 0 CCADLP C[C@H](O)[C@H]1CCN(c2cc(N3CCC[C@H]([NH3+])C3)nc[nH+]2)C1 ZINC000634807286 372247013 /nfs/dbraw/zinc/24/70/13/372247013.db2.gz FPAXXKYARMSAPC-AVGNSLFASA-N 2 2 291.399 0.611 20 0 CCADLP CC1(O)CCN(c2cc(N[C@@H]3[C@H]4C[NH2+]C[C@H]43)[nH+]cn2)CC1 ZINC000634810407 372253646 /nfs/dbraw/zinc/25/36/46/372253646.db2.gz WPFGMFDZBKIBTR-YABSGUDNSA-N 2 2 289.383 0.458 20 0 CCADLP CC1(O)CCN(c2cc(N[C@@H]3[C@H]4C[NH2+]C[C@H]43)nc[nH+]2)CC1 ZINC000634810407 372253651 /nfs/dbraw/zinc/25/36/51/372253651.db2.gz WPFGMFDZBKIBTR-YABSGUDNSA-N 2 2 289.383 0.458 20 0 CCADLP c1cc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)no1 ZINC000634962504 372313618 /nfs/dbraw/zinc/31/36/18/372313618.db2.gz VDKGFACRWJQVMG-CQSZACIVSA-N 2 2 280.372 0.171 20 0 CCADLP O=C1CC[C@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)CCN1 ZINC000634960976 372314155 /nfs/dbraw/zinc/31/41/55/372314155.db2.gz HGFRGJNYQPECRF-QWHCGFSZSA-N 2 2 251.374 0.729 20 0 CCADLP O=C1CC[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)CCN1 ZINC000634960976 372314160 /nfs/dbraw/zinc/31/41/60/372314160.db2.gz HGFRGJNYQPECRF-QWHCGFSZSA-N 2 2 251.374 0.729 20 0 CCADLP C[C@H](C[NH2+][C@H]1CCNC(=O)CC1)C[NH+]1CCOCC1 ZINC000634963523 372315852 /nfs/dbraw/zinc/31/58/52/372315852.db2.gz WADMEVMNXMPKAJ-CHWSQXEVSA-N 2 2 269.389 0.213 20 0 CCADLP O=C1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)CCN1 ZINC000634982505 372322570 /nfs/dbraw/zinc/32/25/70/372322570.db2.gz NCMQILISIFGQLW-QWHCGFSZSA-N 2 2 269.389 0.092 20 0 CCADLP O=C1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)CCN1 ZINC000634982505 372322572 /nfs/dbraw/zinc/32/25/72/372322572.db2.gz NCMQILISIFGQLW-QWHCGFSZSA-N 2 2 269.389 0.092 20 0 CCADLP CC(C)[C@H](C[NH3+])C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000634993668 372329520 /nfs/dbraw/zinc/32/95/20/372329520.db2.gz BHVYMDJZRRRNRI-KGLIPLIRSA-N 3 2 282.432 0.114 20 0 CCADLP CC(C)[C@H](C[NH3+])C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000634993668 372329523 /nfs/dbraw/zinc/32/95/23/372329523.db2.gz BHVYMDJZRRRNRI-KGLIPLIRSA-N 3 2 282.432 0.114 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635555630 372622425 /nfs/dbraw/zinc/62/24/25/372622425.db2.gz FHTSXAQPGQLSIB-VXGBXAGGSA-N 2 2 278.356 0.304 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CC(=O)N(C2CC2)C1 ZINC000333330140 205225568 /nfs/dbraw/zinc/22/55/68/205225568.db2.gz WBGQAFRHFSXYTI-IJLUTSLNSA-N 2 2 267.373 0.106 20 0 CCADLP C[C@H](CC(=O)NC[C@](C)(O)CC[NH+](C)C)n1cc[nH+]c1 ZINC000568146293 291555867 /nfs/dbraw/zinc/55/58/67/291555867.db2.gz JHFSXHCVEANTDP-TZMCWYRMSA-N 2 2 282.388 0.653 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1NCc1n[nH]c(C2CC[NH2+]CC2)n1 ZINC000333463041 205341549 /nfs/dbraw/zinc/34/15/49/205341549.db2.gz GXCNNMBDGRDIJI-ZYHUDNBSSA-N 2 2 278.404 0.311 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1NCc1n[nH]c(C2CC[NH2+]CC2)n1 ZINC000333463041 205341553 /nfs/dbraw/zinc/34/15/53/205341553.db2.gz GXCNNMBDGRDIJI-ZYHUDNBSSA-N 2 2 278.404 0.311 20 0 CCADLP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333463041 205341556 /nfs/dbraw/zinc/34/15/56/205341556.db2.gz GXCNNMBDGRDIJI-ZYHUDNBSSA-N 2 2 278.404 0.311 20 0 CCADLP [NH3+]Cc1ccc(-n2cc([C@@H]3COCC[NH2+]3)nn2)cc1 ZINC000656459791 412805561 /nfs/dbraw/zinc/80/55/61/412805561.db2.gz UFRHODOSOYBGGF-ZDUSSCGKSA-N 2 2 259.313 0.387 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000635918471 373103902 /nfs/dbraw/zinc/10/39/02/373103902.db2.gz RXQTWVGGLGLQFX-YPMHNXCESA-N 2 2 262.357 0.798 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000635918471 373103909 /nfs/dbraw/zinc/10/39/09/373103909.db2.gz RXQTWVGGLGLQFX-YPMHNXCESA-N 2 2 262.357 0.798 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)[nH+]1 ZINC000635953578 373150609 /nfs/dbraw/zinc/15/06/09/373150609.db2.gz HUDWGVDGNUCUNU-PWSUYJOCSA-N 2 2 262.357 0.677 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)[nH+]1 ZINC000635953578 373150618 /nfs/dbraw/zinc/15/06/18/373150618.db2.gz HUDWGVDGNUCUNU-PWSUYJOCSA-N 2 2 262.357 0.677 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)CC(C)(C)[NH3+] ZINC000656474384 412810645 /nfs/dbraw/zinc/81/06/45/412810645.db2.gz UAGWOTGHYMTYHK-JTQLQIEISA-N 2 2 253.350 0.650 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000568244277 291572723 /nfs/dbraw/zinc/57/27/23/291572723.db2.gz HKPDEPAZSUVBSV-LLVKDONJSA-N 2 2 293.371 0.226 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+](CCc2ccncc2)CC1)[NH+](C)C ZINC000636293120 373529681 /nfs/dbraw/zinc/52/96/81/373529681.db2.gz SCFGGAKJVVPTDC-AWEZNQCLSA-N 2 2 290.411 0.718 20 0 CCADLP O=C(N[C@H]1Cc2c[nH+]cn2C1)NC1CC[NH+](C2CC2)CC1 ZINC000636516937 373625909 /nfs/dbraw/zinc/62/59/09/373625909.db2.gz RPISPBWAWKKADE-LBPRGKRZSA-N 2 2 289.383 0.734 20 0 CCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636557687 373644258 /nfs/dbraw/zinc/64/42/58/373644258.db2.gz YNKQBGPPVNCROL-QWHCGFSZSA-N 2 2 291.399 0.981 20 0 CCADLP C[NH+]1CCC(CCNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1 ZINC000636726224 373725445 /nfs/dbraw/zinc/72/54/45/373725445.db2.gz CJKKOWRFVBEIBB-CYBMUJFWSA-N 2 2 291.399 0.839 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636789701 373758587 /nfs/dbraw/zinc/75/85/87/373758587.db2.gz JIWYXMSSDKSRMV-GHMZBOCLSA-N 2 2 275.356 0.344 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636789701 373758593 /nfs/dbraw/zinc/75/85/93/373758593.db2.gz JIWYXMSSDKSRMV-GHMZBOCLSA-N 2 2 275.356 0.344 20 0 CCADLP [NH3+]C[C@@H](NC(=O)N1CCn2c[nH+]cc2C1)C1CCCC1 ZINC000333881322 205798003 /nfs/dbraw/zinc/79/80/03/205798003.db2.gz WHIJSSWYZBMHPA-CYBMUJFWSA-N 2 2 277.372 0.926 20 0 CCADLP CN(CCC[NH3+])C(=O)N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000568288083 291580634 /nfs/dbraw/zinc/58/06/34/291580634.db2.gz UOMGUQMWHYGUSZ-LLVKDONJSA-N 2 2 265.361 0.861 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637144504 373954427 /nfs/dbraw/zinc/95/44/27/373954427.db2.gz BKBBXUNIAHMDEW-OLZOCXBDSA-N 2 2 291.399 0.981 20 0 CCADLP CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637144504 373954436 /nfs/dbraw/zinc/95/44/36/373954436.db2.gz BKBBXUNIAHMDEW-OLZOCXBDSA-N 2 2 291.399 0.981 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)NC[C@H]1CCC[N@H+]1C)CC2 ZINC000637380260 374128707 /nfs/dbraw/zinc/12/87/07/374128707.db2.gz BXVVITAUDCETLH-GFCCVEGCSA-N 2 2 277.372 0.811 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)NC[C@H]1CCC[N@@H+]1C)CC2 ZINC000637380260 374128717 /nfs/dbraw/zinc/12/87/17/374128717.db2.gz BXVVITAUDCETLH-GFCCVEGCSA-N 2 2 277.372 0.811 20 0 CCADLP CN(CC[NH+]1CCCC1)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637449126 374174233 /nfs/dbraw/zinc/17/42/33/374174233.db2.gz YCWHQQKDDSHVLZ-ZDUSSCGKSA-N 2 2 284.404 0.054 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@@H]2CCC[NH+]2C)[C@H](C)CO1 ZINC000637532503 374217171 /nfs/dbraw/zinc/21/71/71/374217171.db2.gz FBWXJCTVPCVRGC-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H]2CCC[NH+]2C)[C@H](C)CO1 ZINC000637532503 374217176 /nfs/dbraw/zinc/21/71/76/374217176.db2.gz FBWXJCTVPCVRGC-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2CCC[N@@H+]2C)[C@H](C)CO1 ZINC000637532503 374217183 /nfs/dbraw/zinc/21/71/83/374217183.db2.gz FBWXJCTVPCVRGC-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2CCC[N@H+]2C)[C@H](C)CO1 ZINC000637532503 374217191 /nfs/dbraw/zinc/21/71/91/374217191.db2.gz FBWXJCTVPCVRGC-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP [NH3+]CCNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000637796866 374321082 /nfs/dbraw/zinc/32/10/82/374321082.db2.gz AQCOHJHSWVIKHN-ZETCQYMHSA-N 2 2 250.224 0.452 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC[C@H](C)[NH+](C)C ZINC000656543073 412820340 /nfs/dbraw/zinc/82/03/40/412820340.db2.gz OEQVOKDELKCABI-NEPJUHHUSA-N 2 2 267.377 0.911 20 0 CCADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N1CC[NH2+]CC1 ZINC000637802204 374329504 /nfs/dbraw/zinc/32/95/04/374329504.db2.gz WLUIMNPPDBZATQ-SECBINFHSA-N 2 2 276.262 0.808 20 0 CCADLP C[C@H](CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C(F)(F)F ZINC000637864128 374424841 /nfs/dbraw/zinc/42/48/41/374424841.db2.gz MUTOBAWRXWLSTD-BDAKNGLRSA-N 2 2 267.295 0.676 20 0 CCADLP C[C@H](CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C(F)(F)F ZINC000637864128 374424842 /nfs/dbraw/zinc/42/48/42/374424842.db2.gz MUTOBAWRXWLSTD-BDAKNGLRSA-N 2 2 267.295 0.676 20 0 CCADLP Nc1nc(N)c(CN2CCC[C@@H]2C[NH+]2CCCCC2)c[nH+]1 ZINC000637959573 374507608 /nfs/dbraw/zinc/50/76/08/374507608.db2.gz GXGDNQXTMUROOD-CYBMUJFWSA-N 2 2 290.415 0.752 20 0 CCADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000638046654 374587151 /nfs/dbraw/zinc/58/71/51/374587151.db2.gz DFINYGJHBKXVCN-WCQYABFASA-N 2 2 266.345 0.156 20 0 CCADLP C[NH+](C)C[C@@H]1CCN(CC(C)(C)[NH+]2CCOCC2)C1 ZINC000638077420 374632239 /nfs/dbraw/zinc/63/22/39/374632239.db2.gz SGSDZNMICMDTSE-AWEZNQCLSA-N 2 2 269.433 0.981 20 0 CCADLP COC[C@@]1(C(=O)NC[C@H](C)Cn2cc[nH+]c2)CCCC[NH2+]1 ZINC000638077648 374632508 /nfs/dbraw/zinc/63/25/08/374632508.db2.gz WYFOTJOUNVDJNL-DZGCQCFKSA-N 2 2 294.399 0.794 20 0 CCADLP C[C@@]1(C(=O)NCCCNc2cccc[nH+]2)C[NH2+]CCO1 ZINC000638072866 374623757 /nfs/dbraw/zinc/62/37/57/374623757.db2.gz QYGCBCYQCLRUAI-AWEZNQCLSA-N 2 2 278.356 0.378 20 0 CCADLP COc1cc[nH+]cc1NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638091505 374652502 /nfs/dbraw/zinc/65/25/02/374652502.db2.gz WQGLDIVIGJMGHU-CYBMUJFWSA-N 2 2 265.313 0.784 20 0 CCADLP CC[NH2+][C@H](C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000638097163 374658423 /nfs/dbraw/zinc/65/84/23/374658423.db2.gz BIZGIFVISAHDJX-LLVKDONJSA-N 2 2 257.378 0.211 20 0 CCADLP CC[NH2+][C@H](C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000638097163 374658426 /nfs/dbraw/zinc/65/84/26/374658426.db2.gz BIZGIFVISAHDJX-LLVKDONJSA-N 2 2 257.378 0.211 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000638117967 374684696 /nfs/dbraw/zinc/68/46/96/374684696.db2.gz UPKQFWKCYVDKCD-OLZOCXBDSA-N 3 2 282.432 0.269 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000638117967 374684700 /nfs/dbraw/zinc/68/47/00/374684700.db2.gz UPKQFWKCYVDKCD-OLZOCXBDSA-N 3 2 282.432 0.269 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000638117970 374685373 /nfs/dbraw/zinc/68/53/73/374685373.db2.gz UPKQFWKCYVDKCD-QWHCGFSZSA-N 3 2 282.432 0.269 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000638117970 374685381 /nfs/dbraw/zinc/68/53/81/374685381.db2.gz UPKQFWKCYVDKCD-QWHCGFSZSA-N 3 2 282.432 0.269 20 0 CCADLP CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2[nH+]ccn2CC(C)C)C1 ZINC000638123606 374691341 /nfs/dbraw/zinc/69/13/41/374691341.db2.gz QXKRAVBBQAMGHX-DOMZBBRYSA-N 2 2 294.399 0.922 20 0 CCADLP CC(C)CC[C@H]([NH3+])C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000638125954 374695180 /nfs/dbraw/zinc/69/51/80/374695180.db2.gz NUSMIEOZHOUOTB-LBPRGKRZSA-N 2 2 298.431 0.158 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1c[nH+]c(N)nc1N ZINC000638167321 374746140 /nfs/dbraw/zinc/74/61/40/374746140.db2.gz LITVIOWSLBEUOC-NEPJUHHUSA-N 2 2 276.388 0.360 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1c[nH+]c(N)nc1N ZINC000638167321 374746145 /nfs/dbraw/zinc/74/61/45/374746145.db2.gz LITVIOWSLBEUOC-NEPJUHHUSA-N 2 2 276.388 0.360 20 0 CCADLP CCc1c[nH]c(CC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)[nH+]1 ZINC000638140425 374710158 /nfs/dbraw/zinc/71/01/58/374710158.db2.gz BVUDGLZZUNWKNT-LBPRGKRZSA-N 2 2 262.357 0.868 20 0 CCADLP CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1c[nH+]c(N)nc1N ZINC000638149415 374719781 /nfs/dbraw/zinc/71/97/81/374719781.db2.gz RNHBLDRCAQDZGA-CHWSQXEVSA-N 2 2 290.415 0.750 20 0 CCADLP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1c[nH+]c(N)nc1N ZINC000638149415 374719787 /nfs/dbraw/zinc/71/97/87/374719787.db2.gz RNHBLDRCAQDZGA-CHWSQXEVSA-N 2 2 290.415 0.750 20 0 CCADLP CCC[NH2+]CCNC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000638148572 374719969 /nfs/dbraw/zinc/71/99/69/374719969.db2.gz XNACCXJRLDLSPM-GFCCVEGCSA-N 2 2 264.373 0.870 20 0 CCADLP CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1c[nH+]c(N)nc1N ZINC000638149416 374720219 /nfs/dbraw/zinc/72/02/19/374720219.db2.gz RNHBLDRCAQDZGA-OLZOCXBDSA-N 2 2 290.415 0.750 20 0 CCADLP CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1Cc1c[nH+]c(N)nc1N ZINC000638149416 374720222 /nfs/dbraw/zinc/72/02/22/374720222.db2.gz RNHBLDRCAQDZGA-OLZOCXBDSA-N 2 2 290.415 0.750 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)[nH+]1 ZINC000638227309 374815033 /nfs/dbraw/zinc/81/50/33/374815033.db2.gz PVJSHXCBTIKPMA-ZDUSSCGKSA-N 2 2 291.399 0.021 20 0 CCADLP C[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)[C@H]1CCC[NH2+]1 ZINC000574563325 335029294 /nfs/dbraw/zinc/02/92/94/335029294.db2.gz ZYTTVDAIUVHDJI-YNEHKIRRSA-N 2 2 289.445 0.531 20 0 CCADLP O=C(CCC1C[NH2+]C1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000638289207 374897340 /nfs/dbraw/zinc/89/73/40/374897340.db2.gz FFCOKUMQAAAFGO-CYBMUJFWSA-N 2 2 274.368 0.776 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@H]2CC23CC[NH2+]CC3)[nH+]1 ZINC000638246210 374839173 /nfs/dbraw/zinc/83/91/73/374839173.db2.gz SFOUBNDTSJNJIJ-NSHDSACASA-N 2 2 262.357 0.773 20 0 CCADLP CCn1ncnc1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000638349718 374947745 /nfs/dbraw/zinc/94/77/45/374947745.db2.gz TUOAICLYCQPUAE-UHFFFAOYSA-N 2 2 280.420 0.414 20 0 CCADLP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCn1cc[nH+]c1 ZINC000638298016 374905789 /nfs/dbraw/zinc/90/57/89/374905789.db2.gz MLHLHYGHQDYNSP-RYUDHWBXSA-N 2 2 250.346 0.920 20 0 CCADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cnc(N)nc1N ZINC000638303290 374909529 /nfs/dbraw/zinc/90/95/29/374909529.db2.gz PXCWZCZBPCGOBB-LLVKDONJSA-N 2 2 278.404 0.656 20 0 CCADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cnc(N)nc1N ZINC000638303290 374909533 /nfs/dbraw/zinc/90/95/33/374909533.db2.gz PXCWZCZBPCGOBB-LLVKDONJSA-N 2 2 278.404 0.656 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@@H](C[NH3+])C(F)(F)F)[nH+]1 ZINC000638398471 374993994 /nfs/dbraw/zinc/99/39/94/374993994.db2.gz ZRCNQJMGVBVPFI-ZETCQYMHSA-N 2 2 264.251 0.520 20 0 CCADLP COCCC1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000638468649 375070752 /nfs/dbraw/zinc/07/07/52/375070752.db2.gz VBNKCRWYGLLHGL-CYBMUJFWSA-N 2 2 271.405 0.541 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000638490668 375084784 /nfs/dbraw/zinc/08/47/84/375084784.db2.gz BUFFAEYQJFFJDO-GFCCVEGCSA-N 2 2 250.346 0.717 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000638571857 375148603 /nfs/dbraw/zinc/14/86/03/375148603.db2.gz AKCLGULYRVPZST-WDEREUQCSA-N 2 2 286.339 0.533 20 0 CCADLP Cc1cc(NCCNC(=O)[C@H]([NH3+])C(C)C)nc(C(C)C)[nH+]1 ZINC000638582737 375162857 /nfs/dbraw/zinc/16/28/57/375162857.db2.gz CCNPEKYOLMSRMY-CYBMUJFWSA-N 2 2 293.415 0.842 20 0 CCADLP Cc1cc(NCCNC(=O)[C@@H](C)[C@H](C)[NH3+])nc(C(C)C)[nH+]1 ZINC000638584291 375164509 /nfs/dbraw/zinc/16/45/09/375164509.db2.gz SOHHQWGVAXMRHX-RYUDHWBXSA-N 2 2 293.415 0.842 20 0 CCADLP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000638596245 375176913 /nfs/dbraw/zinc/17/69/13/375176913.db2.gz GZGGEMWQADCXPQ-RDBSUJKOSA-N 2 2 282.432 0.269 20 0 CCADLP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000638596245 375176920 /nfs/dbraw/zinc/17/69/20/375176920.db2.gz GZGGEMWQADCXPQ-RDBSUJKOSA-N 2 2 282.432 0.269 20 0 CCADLP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000638596244 375177468 /nfs/dbraw/zinc/17/74/68/375177468.db2.gz GZGGEMWQADCXPQ-MGPQQGTHSA-N 2 2 282.432 0.269 20 0 CCADLP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000638596244 375177473 /nfs/dbraw/zinc/17/74/73/375177473.db2.gz GZGGEMWQADCXPQ-MGPQQGTHSA-N 2 2 282.432 0.269 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638608496 375189682 /nfs/dbraw/zinc/18/96/82/375189682.db2.gz BJTSXOWHCLOUGN-AVGNSLFASA-N 2 2 269.389 0.067 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000638608496 375189686 /nfs/dbraw/zinc/18/96/86/375189686.db2.gz BJTSXOWHCLOUGN-AVGNSLFASA-N 2 2 269.389 0.067 20 0 CCADLP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638609158 375190653 /nfs/dbraw/zinc/19/06/53/375190653.db2.gz FCMWRTSVJTZMEM-OCCSQVGLSA-N 2 2 277.368 0.442 20 0 CCADLP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638609158 375190657 /nfs/dbraw/zinc/19/06/57/375190657.db2.gz FCMWRTSVJTZMEM-OCCSQVGLSA-N 2 2 277.368 0.442 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000638609809 375190841 /nfs/dbraw/zinc/19/08/41/375190841.db2.gz HCUZKQRFDXSLKG-UONOGXRCSA-N 2 2 283.416 0.731 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000638609809 375190849 /nfs/dbraw/zinc/19/08/49/375190849.db2.gz HCUZKQRFDXSLKG-UONOGXRCSA-N 2 2 283.416 0.731 20 0 CCADLP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638611329 375192366 /nfs/dbraw/zinc/19/23/66/375192366.db2.gz OFEFFXUYVJNRLC-NWDGAFQWSA-N 2 2 257.378 0.197 20 0 CCADLP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@H]1COCC[N@H+]1C ZINC000638611329 375192373 /nfs/dbraw/zinc/19/23/73/375192373.db2.gz OFEFFXUYVJNRLC-NWDGAFQWSA-N 2 2 257.378 0.197 20 0 CCADLP CN(CCOCC[NH3+])C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000638674451 375277735 /nfs/dbraw/zinc/27/77/35/375277735.db2.gz KQQYGASCLOWLFQ-UHFFFAOYSA-N 2 2 289.339 0.315 20 0 CCADLP Cc1nnsc1C[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000638674560 375279100 /nfs/dbraw/zinc/27/91/00/375279100.db2.gz KZOJXBWZXWEJRK-JTQLQIEISA-N 2 2 270.402 0.904 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1cccc2c1CCOC2 ZINC000638989304 375501936 /nfs/dbraw/zinc/50/19/36/375501936.db2.gz HVVIILWDSJTDKY-OAHLLOKOSA-N 2 2 291.395 0.655 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639002941 375513602 /nfs/dbraw/zinc/51/36/02/375513602.db2.gz CAPHFAUBAVJZCE-AWEZNQCLSA-N 2 2 291.399 0.161 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639018909 375523457 /nfs/dbraw/zinc/52/34/57/375523457.db2.gz ABWZVBDSWHWLHO-AAEUAGOBSA-N 2 2 262.357 0.861 20 0 CCADLP CC[N@H+](CCO)CC[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1 ZINC000639053542 375549278 /nfs/dbraw/zinc/54/92/78/375549278.db2.gz JHCGLBRWIJTYDK-STQMWFEESA-N 2 2 271.405 0.338 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1 ZINC000639053542 375549281 /nfs/dbraw/zinc/54/92/81/375549281.db2.gz JHCGLBRWIJTYDK-STQMWFEESA-N 2 2 271.405 0.338 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1CNCc1c[nH+]c(N)nc1N ZINC000639165455 375615081 /nfs/dbraw/zinc/61/50/81/375615081.db2.gz JVOIBYNJMFZBIM-NSHDSACASA-N 2 2 264.377 0.266 20 0 CCADLP CCC[N@H+]1CCC[C@H]1CNCc1c[nH+]c(N)nc1N ZINC000639165455 375615086 /nfs/dbraw/zinc/61/50/86/375615086.db2.gz JVOIBYNJMFZBIM-NSHDSACASA-N 2 2 264.377 0.266 20 0 CCADLP CCCN(CC[NH+]1CCCC1)Cc1c[nH+]c(N)nc1N ZINC000639161183 375610664 /nfs/dbraw/zinc/61/06/64/375610664.db2.gz JMNKJPFJAONEOZ-UHFFFAOYSA-N 2 2 278.404 0.610 20 0 CCADLP C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1c[nH+]c(N)nc1N ZINC000639160163 375610787 /nfs/dbraw/zinc/61/07/87/375610787.db2.gz AWRRNDLYJNAKSP-JQWIXIFHSA-N 2 2 276.388 0.360 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]CCN1CCOC(C)(C)C1)C1CC1 ZINC000574632338 335035270 /nfs/dbraw/zinc/03/52/70/335035270.db2.gz UTKGVSFTIBOSSL-CQSZACIVSA-N 2 2 285.432 0.142 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]CCN1CCOC(C)(C)C1)C1CC1 ZINC000574632338 335035272 /nfs/dbraw/zinc/03/52/72/335035272.db2.gz UTKGVSFTIBOSSL-CQSZACIVSA-N 2 2 285.432 0.142 20 0 CCADLP Cn1cc(CCC[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)cn1 ZINC000639217054 375638257 /nfs/dbraw/zinc/63/82/57/375638257.db2.gz DGPIYJHSPRDWGP-HNNXBMFYSA-N 2 2 280.416 0.789 20 0 CCADLP Cn1cc(CCC[NH2+]C[C@@H]2CCC[N@H+]2CCCO)cn1 ZINC000639217054 375638261 /nfs/dbraw/zinc/63/82/61/375638261.db2.gz DGPIYJHSPRDWGP-HNNXBMFYSA-N 2 2 280.416 0.789 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H]([NH3+])c2cscn2)CC1 ZINC000574636287 335035763 /nfs/dbraw/zinc/03/57/63/335035763.db2.gz UGWYZUSRZZUWFV-SNVBAGLBSA-N 2 2 254.359 0.307 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(CCCO)C2)CC[N@@H+]1C ZINC000639220318 375644621 /nfs/dbraw/zinc/64/46/21/375644621.db2.gz XYCSREBMBVZEFA-RBSFLKMASA-N 2 2 269.433 0.906 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(CCCO)C2)CC[N@H+]1C ZINC000639220318 375644624 /nfs/dbraw/zinc/64/46/24/375644624.db2.gz XYCSREBMBVZEFA-RBSFLKMASA-N 2 2 269.433 0.906 20 0 CCADLP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000639220294 375645426 /nfs/dbraw/zinc/64/54/26/375645426.db2.gz XBEGAGUTNPNXDJ-KFWWJZLASA-N 2 2 297.443 0.870 20 0 CCADLP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000639220294 375645432 /nfs/dbraw/zinc/64/54/32/375645432.db2.gz XBEGAGUTNPNXDJ-KFWWJZLASA-N 2 2 297.443 0.870 20 0 CCADLP CO[C@@H](C[N@H+](C)CC1C[NH+](C)C1)C1CCOCC1 ZINC000639308575 375715650 /nfs/dbraw/zinc/71/56/50/375715650.db2.gz DVBYBGCFKJISPM-AWEZNQCLSA-N 2 2 256.390 0.921 20 0 CCADLP CO[C@@H](C[N@@H+](C)CC1C[NH+](C)C1)C1CCOCC1 ZINC000639308575 375715654 /nfs/dbraw/zinc/71/56/54/375715654.db2.gz DVBYBGCFKJISPM-AWEZNQCLSA-N 2 2 256.390 0.921 20 0 CCADLP CO[C@@]1(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)CCOC1 ZINC000639350371 375750230 /nfs/dbraw/zinc/75/02/30/375750230.db2.gz GWXOHOSEKMFXFX-MRXNPFEDSA-N 2 2 298.427 0.979 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(CO)cc1 ZINC000639350062 375750691 /nfs/dbraw/zinc/75/06/91/375750691.db2.gz TVFAFZTUJHJCSU-HNNXBMFYSA-N 2 2 291.395 0.608 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(CO)cc1 ZINC000639350062 375750699 /nfs/dbraw/zinc/75/06/99/375750699.db2.gz TVFAFZTUJHJCSU-HNNXBMFYSA-N 2 2 291.395 0.608 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+](CC(N)=O)C1CCCC1 ZINC000639473643 375795383 /nfs/dbraw/zinc/79/53/83/375795383.db2.gz GUFIBVSJBCYLPZ-UHFFFAOYSA-N 2 2 250.346 0.693 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+](CC(N)=O)C1CCCC1 ZINC000639473643 375795388 /nfs/dbraw/zinc/79/53/88/375795388.db2.gz GUFIBVSJBCYLPZ-UHFFFAOYSA-N 2 2 250.346 0.693 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000639499750 375811056 /nfs/dbraw/zinc/81/10/56/375811056.db2.gz FHSAOZHVEVFPIE-OAHLLOKOSA-N 2 2 278.400 0.759 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000639499750 375811059 /nfs/dbraw/zinc/81/10/59/375811059.db2.gz FHSAOZHVEVFPIE-OAHLLOKOSA-N 2 2 278.400 0.759 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000639588793 375846530 /nfs/dbraw/zinc/84/65/30/375846530.db2.gz KHPOBVPDLBJTJN-CYBMUJFWSA-N 2 2 251.330 0.454 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000639588793 375846535 /nfs/dbraw/zinc/84/65/35/375846535.db2.gz KHPOBVPDLBJTJN-CYBMUJFWSA-N 2 2 251.330 0.454 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000639588794 375846952 /nfs/dbraw/zinc/84/69/52/375846952.db2.gz KHPOBVPDLBJTJN-ZDUSSCGKSA-N 2 2 251.330 0.454 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000639588794 375846959 /nfs/dbraw/zinc/84/69/59/375846959.db2.gz KHPOBVPDLBJTJN-ZDUSSCGKSA-N 2 2 251.330 0.454 20 0 CCADLP Cn1ncc(C2CC2)c1C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000656710531 412846118 /nfs/dbraw/zinc/84/61/18/412846118.db2.gz JJYYXOCEUATBFC-ZDUSSCGKSA-N 2 2 278.400 0.842 20 0 CCADLP Cn1ncc(C2CC2)c1C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000656710531 412846121 /nfs/dbraw/zinc/84/61/21/412846121.db2.gz JJYYXOCEUATBFC-ZDUSSCGKSA-N 2 2 278.400 0.842 20 0 CCADLP CCn1nccc1C[N@H+](CCO)CCc1c[nH+]cn1C ZINC000639619959 375866359 /nfs/dbraw/zinc/86/63/59/375866359.db2.gz WPJQCPSRDDUGLQ-UHFFFAOYSA-N 2 2 277.372 0.674 20 0 CCADLP CCn1nccc1C[N@@H+](CCO)CCc1c[nH+]cn1C ZINC000639619959 375866363 /nfs/dbraw/zinc/86/63/63/375866363.db2.gz WPJQCPSRDDUGLQ-UHFFFAOYSA-N 2 2 277.372 0.674 20 0 CCADLP CC[C@@H](C)NC(=O)C[NH+]1CCN(CCC[NH2+]C)CC1 ZINC000568884453 291632318 /nfs/dbraw/zinc/63/23/18/291632318.db2.gz KQSDDAUDVVITMN-CYBMUJFWSA-N 2 2 270.421 0.128 20 0 CCADLP COc1ccc(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)cn1 ZINC000639762813 375991492 /nfs/dbraw/zinc/99/14/92/375991492.db2.gz UYSQJYNADAKUMT-HNNXBMFYSA-N 2 2 279.384 0.979 20 0 CCADLP COc1ccc(C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)cn1 ZINC000639762813 375991498 /nfs/dbraw/zinc/99/14/98/375991498.db2.gz UYSQJYNADAKUMT-HNNXBMFYSA-N 2 2 279.384 0.979 20 0 CCADLP Cn1ccnc1[C@H]([NH2+]CCn1cc[nH+]c1)C(C)(C)CO ZINC000639771584 376002631 /nfs/dbraw/zinc/00/26/31/376002631.db2.gz IDPGNHAILGGFMV-LBPRGKRZSA-N 2 2 277.372 0.966 20 0 CCADLP COc1cncc(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000639761742 375987974 /nfs/dbraw/zinc/98/79/74/375987974.db2.gz DPEAJTMNQIFYFB-OAHLLOKOSA-N 2 2 279.384 0.979 20 0 CCADLP COc1cncc(C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000639761742 375987979 /nfs/dbraw/zinc/98/79/79/375987979.db2.gz DPEAJTMNQIFYFB-OAHLLOKOSA-N 2 2 279.384 0.979 20 0 CCADLP C[C@@H](c1cnccn1)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761694 375988088 /nfs/dbraw/zinc/98/80/88/375988088.db2.gz CZMOJRIHOBBBBB-JSGCOSHPSA-N 2 2 264.373 0.926 20 0 CCADLP C[C@@H](c1cnccn1)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761694 375988090 /nfs/dbraw/zinc/98/80/90/375988090.db2.gz CZMOJRIHOBBBBB-JSGCOSHPSA-N 2 2 264.373 0.926 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCO[C@@H]2CCCCO2)C1 ZINC000639762129 375988652 /nfs/dbraw/zinc/98/86/52/375988652.db2.gz GNSKJUOIXPHGJV-HUUCEWRRSA-N 2 2 286.416 0.918 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCO[C@@H]2CCCCO2)C1 ZINC000639762129 375988661 /nfs/dbraw/zinc/98/86/61/375988661.db2.gz GNSKJUOIXPHGJV-HUUCEWRRSA-N 2 2 286.416 0.918 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@](C)(O)C(F)(F)F ZINC000640051270 376216590 /nfs/dbraw/zinc/21/65/90/376216590.db2.gz MLXQTDPQJKJPAY-LLVKDONJSA-N 2 2 297.321 0.006 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@](C)(O)C(F)(F)F ZINC000640051270 376216596 /nfs/dbraw/zinc/21/65/96/376216596.db2.gz MLXQTDPQJKJPAY-LLVKDONJSA-N 2 2 297.321 0.006 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1COC(C)(C)C1 ZINC000640064382 376224051 /nfs/dbraw/zinc/22/40/51/376224051.db2.gz URCXUEAMUSVOCD-LBPRGKRZSA-N 2 2 269.389 0.260 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1COC(C)(C)C1 ZINC000640064382 376224056 /nfs/dbraw/zinc/22/40/56/376224056.db2.gz URCXUEAMUSVOCD-LBPRGKRZSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@@H](CC(=O)N[C@@H](CO)C[NH+]1CCCC1)n1cc[nH+]c1 ZINC000640319595 376307186 /nfs/dbraw/zinc/30/71/86/376307186.db2.gz AVGILYJXTXWTFJ-QWHCGFSZSA-N 2 2 280.372 0.407 20 0 CCADLP Cc1[nH+]ccn1Cc1cn(CC[NH+]2CCOCC2)nn1 ZINC000641034023 376691299 /nfs/dbraw/zinc/69/12/99/376691299.db2.gz WUFIXOYOLHMFSE-UHFFFAOYSA-N 2 2 276.344 0.164 20 0 CCADLP CC(C)(C)[C@H]([NH3+])c1cn(C[C@H](O)C[NH+]2CCOCC2)nn1 ZINC000641209489 376884669 /nfs/dbraw/zinc/88/46/69/376884669.db2.gz YHRGDBNTMNRRPK-DGCLKSJQSA-N 2 2 297.403 0.017 20 0 CCADLP C[C@H](CC[NH+](C)C)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641354122 377028706 /nfs/dbraw/zinc/02/87/06/377028706.db2.gz LZPNHNPOARPBBM-LLVKDONJSA-N 2 2 274.390 0.143 20 0 CCADLP CN(CCCn1cc[nH+]c1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641386338 377056689 /nfs/dbraw/zinc/05/66/89/377056689.db2.gz ZUSUVEVKONIXAD-UHFFFAOYSA-N 2 2 297.384 0.432 20 0 CCADLP [NH3+][C@@H](C(=O)NC1[C@@H]2CC[C@H]1CC([NH3+])C2)c1cscn1 ZINC000569220676 291659932 /nfs/dbraw/zinc/65/99/32/291659932.db2.gz BHGDMXBTIKIHFI-WKKFPCDCSA-N 2 2 280.397 0.775 20 0 CCADLP C[N@@H+]1CC[C@]2(CCN(S(=O)(=O)CCn3cc[nH+]c3)C2)C1 ZINC000641507308 377192906 /nfs/dbraw/zinc/19/29/06/377192906.db2.gz BEKYHUNBEANUCM-ZDUSSCGKSA-N 2 2 298.412 0.241 20 0 CCADLP C[N@H+]1CC[C@]2(CCN(S(=O)(=O)CCn3cc[nH+]c3)C2)C1 ZINC000641507308 377192914 /nfs/dbraw/zinc/19/29/14/377192914.db2.gz BEKYHUNBEANUCM-ZDUSSCGKSA-N 2 2 298.412 0.241 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](C)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641500371 377182229 /nfs/dbraw/zinc/18/22/29/377182229.db2.gz GKUOPXKQYPQSDT-GFCCVEGCSA-N 2 2 288.417 0.531 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641500371 377182234 /nfs/dbraw/zinc/18/22/34/377182234.db2.gz GKUOPXKQYPQSDT-GFCCVEGCSA-N 2 2 288.417 0.531 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000641741812 377433302 /nfs/dbraw/zinc/43/33/02/377433302.db2.gz IPKNUAHNNMHLBS-CQSZACIVSA-N 2 2 278.356 0.671 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)CO1 ZINC000641786315 377464588 /nfs/dbraw/zinc/46/45/88/377464588.db2.gz PGBPCVAWDVVXKN-PMPSAXMXSA-N 2 2 297.443 0.550 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)[C@@H]1C ZINC000641804518 377476836 /nfs/dbraw/zinc/47/68/36/377476836.db2.gz CFKJRPBMFCPLLP-SYQHCUMBSA-N 3 2 267.417 0.955 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)[C@@H]1C ZINC000641804518 377476843 /nfs/dbraw/zinc/47/68/43/377476843.db2.gz CFKJRPBMFCPLLP-SYQHCUMBSA-N 3 2 267.417 0.955 20 0 CCADLP CCS(=O)(=O)NCCC[N@@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000641809571 377481768 /nfs/dbraw/zinc/48/17/68/377481768.db2.gz RKZKMTHQXYUZPS-AVGNSLFASA-N 2 2 291.461 0.764 20 0 CCADLP CCS(=O)(=O)NCCC[N@H+]1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000641809571 377481774 /nfs/dbraw/zinc/48/17/74/377481774.db2.gz RKZKMTHQXYUZPS-AVGNSLFASA-N 2 2 291.461 0.764 20 0 CCADLP [NH3+]C/C=C/CNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000641865489 377514763 /nfs/dbraw/zinc/51/47/63/377514763.db2.gz WEKFSEKLKXJPMG-OWOJBTEDSA-N 2 2 278.356 0.622 20 0 CCADLP C[NH+](C)CCCNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000641959374 377526331 /nfs/dbraw/zinc/52/63/31/377526331.db2.gz HXZDNGVHWYXCDL-SNVBAGLBSA-N 2 2 265.361 0.518 20 0 CCADLP C[NH+](C)CCCNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000641959374 377526335 /nfs/dbraw/zinc/52/63/35/377526335.db2.gz HXZDNGVHWYXCDL-SNVBAGLBSA-N 2 2 265.361 0.518 20 0 CCADLP Cc1cc(C)c(CNC(=O)NC[C@H]2C[NH2+]CCN2C)c[nH+]1 ZINC000514591505 249091649 /nfs/dbraw/zinc/09/16/49/249091649.db2.gz DLJBYABKCMSQGL-CQSZACIVSA-N 2 2 291.399 0.401 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000514614676 249094133 /nfs/dbraw/zinc/09/41/33/249094133.db2.gz XYVJFFYAPNZVSP-ZDUSSCGKSA-N 2 2 281.400 0.309 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000514614676 249094135 /nfs/dbraw/zinc/09/41/35/249094135.db2.gz XYVJFFYAPNZVSP-ZDUSSCGKSA-N 2 2 281.400 0.309 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000514614675 249094662 /nfs/dbraw/zinc/09/46/62/249094662.db2.gz XYVJFFYAPNZVSP-CYBMUJFWSA-N 2 2 281.400 0.309 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000514614675 249094663 /nfs/dbraw/zinc/09/46/63/249094663.db2.gz XYVJFFYAPNZVSP-CYBMUJFWSA-N 2 2 281.400 0.309 20 0 CCADLP Cc1c[nH+]c(C)nc1NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000514798681 249105218 /nfs/dbraw/zinc/10/52/18/249105218.db2.gz LPJGXFRGOJMAFK-LBPRGKRZSA-N 2 2 277.372 0.267 20 0 CCADLP Cc1c[nH+]c(C)nc1NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000514798681 249105221 /nfs/dbraw/zinc/10/52/21/249105221.db2.gz LPJGXFRGOJMAFK-LBPRGKRZSA-N 2 2 277.372 0.267 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000516179462 249153950 /nfs/dbraw/zinc/15/39/50/249153950.db2.gz SMTIYLSCQPXTHJ-LBPRGKRZSA-N 2 2 288.355 0.471 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)NCCc1cn(C)c[nH+]1 ZINC000515644617 249140754 /nfs/dbraw/zinc/14/07/54/249140754.db2.gz DYUDHSZEBIKBDM-UWVGGRQHSA-N 2 2 253.350 0.388 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCCNc2cccc[nH+]2)CC[NH2+]1 ZINC000516968311 249193873 /nfs/dbraw/zinc/19/38/73/249193873.db2.gz OTUONTOKZFVGDB-RYUDHWBXSA-N 2 2 262.357 0.998 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000517381737 249217517 /nfs/dbraw/zinc/21/75/17/249217517.db2.gz NUEAFUHHPYKZQL-HUUCEWRRSA-N 3 2 269.433 0.765 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000517381737 249217518 /nfs/dbraw/zinc/21/75/18/249217518.db2.gz NUEAFUHHPYKZQL-HUUCEWRRSA-N 3 2 269.433 0.765 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@@H+]1CCO[C@@H](C)C1)[NH+](C)C ZINC000518926659 249264043 /nfs/dbraw/zinc/26/40/43/249264043.db2.gz IUHUJDZNESETDN-QWHCGFSZSA-N 2 2 271.405 0.410 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@H+]1CCO[C@@H](C)C1)[NH+](C)C ZINC000518926659 249264045 /nfs/dbraw/zinc/26/40/45/249264045.db2.gz IUHUJDZNESETDN-QWHCGFSZSA-N 2 2 271.405 0.410 20 0 CCADLP Nc1[nH+]cnc(N2CC[C@H]3CC[NH2+][C@H]3C2)c1Cl ZINC000643034191 377698035 /nfs/dbraw/zinc/69/80/35/377698035.db2.gz VGIWSNLJJVUZBY-SFYZADRCSA-N 2 2 253.737 0.900 20 0 CCADLP Cc1cc(N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)nc[nH+]1 ZINC000642994945 377681663 /nfs/dbraw/zinc/68/16/63/377681663.db2.gz QWCNSROWDCTQPF-ZDUSSCGKSA-N 2 2 289.383 0.433 20 0 CCADLP C[N@@H+]1CCc2ncnc(NC[C@@H]3CCCC[NH2+]3)c2C1 ZINC000642996273 377682409 /nfs/dbraw/zinc/68/24/09/377682409.db2.gz QHPGAOXJZQRUON-NSHDSACASA-N 2 2 261.373 0.440 20 0 CCADLP C[N@H+]1CCc2ncnc(NC[C@@H]3CCCC[NH2+]3)c2C1 ZINC000642996273 377682417 /nfs/dbraw/zinc/68/24/17/377682417.db2.gz QHPGAOXJZQRUON-NSHDSACASA-N 2 2 261.373 0.440 20 0 CCADLP Cc1c[nH+]ccc1CC[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000574684334 335039197 /nfs/dbraw/zinc/03/91/97/335039197.db2.gz LGWMPZFWSMKGNA-LLVKDONJSA-N 2 2 256.371 0.955 20 0 CCADLP O=C(NC[C@@H]1CCC[NH2+]1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000569677869 291698685 /nfs/dbraw/zinc/69/86/85/291698685.db2.gz QSOUZPNSHRYITJ-GXTWGEPZSA-N 2 2 290.367 0.996 20 0 CCADLP C[C@@H](C(=O)N1CCC2(CC[NH2+]C2)CC1)[NH+]1CCN(C)CC1 ZINC000576281117 335182535 /nfs/dbraw/zinc/18/25/35/335182535.db2.gz UFSCWHHOHUCLOQ-AWEZNQCLSA-N 2 2 294.443 0.224 20 0 CCADLP C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000569808405 291709734 /nfs/dbraw/zinc/70/97/34/291709734.db2.gz NXLKCKVBPPJRGC-VXGBXAGGSA-N 2 2 250.346 0.730 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccnn1C ZINC000278752958 194138667 /nfs/dbraw/zinc/13/86/67/194138667.db2.gz NXXAPXCTBLSSHN-WCQYABFASA-N 2 2 279.388 0.411 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccnn1C ZINC000278752958 194138669 /nfs/dbraw/zinc/13/86/69/194138669.db2.gz NXXAPXCTBLSSHN-WCQYABFASA-N 2 2 279.388 0.411 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CCCC[NH+](C)C ZINC000570034855 291728158 /nfs/dbraw/zinc/72/81/58/291728158.db2.gz RIQYSMFMPYBPGG-CQSZACIVSA-N 2 2 285.432 0.897 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000279006410 194248816 /nfs/dbraw/zinc/24/88/16/194248816.db2.gz MVLICTJNRHDMSN-MNOVXSKESA-N 2 2 288.355 0.502 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H](C)[NH+](C)C ZINC000684070468 545607600 /nfs/dbraw/zinc/60/76/00/545607600.db2.gz OXVJTILVMLNCGG-NEPJUHHUSA-N 2 2 257.378 0.116 20 0 CCADLP COC(=O)CC[C@@H]([NH3+])C(=O)Nc1cc[nH+]c(C)c1 ZINC000288820650 197172263 /nfs/dbraw/zinc/17/22/63/197172263.db2.gz UFQIIVPCVRRELK-SNVBAGLBSA-N 2 2 251.286 0.609 20 0 CCADLP C[NH+](C)C1(CNC(=O)CCc2[nH]cc[nH+]2)CCC1 ZINC000288896424 197188392 /nfs/dbraw/zinc/18/83/92/197188392.db2.gz GSMVBWGPHOPNCH-UHFFFAOYSA-N 2 2 250.346 0.943 20 0 CCADLP Cc1cccn2cc(CC(=O)N3CC[C@H]([NH3+])C3)[nH+]c12 ZINC000334914894 207283606 /nfs/dbraw/zinc/28/36/06/207283606.db2.gz AHJUTAGMIRMPRA-NSHDSACASA-N 2 2 258.325 0.745 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000334922678 207297833 /nfs/dbraw/zinc/29/78/33/207297833.db2.gz RDQAFXZGBUCNPJ-ZDUSSCGKSA-N 2 2 283.351 0.535 20 0 CCADLP CC[NH+]1CCN(CCNc2nc(C)[nH+]cc2C)CC1 ZINC000571225010 291800780 /nfs/dbraw/zinc/80/07/80/291800780.db2.gz QRFNUDUEBIGWBH-UHFFFAOYSA-N 2 2 263.389 0.565 20 0 CCADLP [NH3+]C[C@@H]1CN(C(=O)[C@H]([NH3+])c2c(F)cccc2F)CCO1 ZINC000571325588 291806991 /nfs/dbraw/zinc/80/69/91/291806991.db2.gz UMFGLVLTAVTYED-PRHODGIISA-N 2 2 285.294 0.151 20 0 CCADLP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCS(=O)(=O)C2)C1 ZINC000246203120 285009798 /nfs/dbraw/zinc/00/97/98/285009798.db2.gz VPRKDWLZBHDMBF-NEPJUHHUSA-N 2 2 260.403 0.495 20 0 CCADLP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCS(=O)(=O)C2)C1 ZINC000246203120 285009801 /nfs/dbraw/zinc/00/98/01/285009801.db2.gz VPRKDWLZBHDMBF-NEPJUHHUSA-N 2 2 260.403 0.495 20 0 CCADLP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000423932294 533007251 /nfs/dbraw/zinc/00/72/51/533007251.db2.gz OEWQOJLDCWCCIS-HZSPNIEDSA-N 2 2 297.443 0.942 20 0 CCADLP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000423932294 533007256 /nfs/dbraw/zinc/00/72/56/533007256.db2.gz OEWQOJLDCWCCIS-HZSPNIEDSA-N 2 2 297.443 0.942 20 0 CCADLP CC[C@H](C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)[NH+](C)C ZINC000247162559 285043657 /nfs/dbraw/zinc/04/36/57/285043657.db2.gz XYGRCCDWMZFTSX-FRRDWIJNSA-N 2 2 271.405 0.552 20 0 CCADLP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000449118166 533009864 /nfs/dbraw/zinc/00/98/64/533009864.db2.gz RIMDRDLXGHSDHW-CHWSQXEVSA-N 2 2 285.432 0.848 20 0 CCADLP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000449118166 533009866 /nfs/dbraw/zinc/00/98/66/533009866.db2.gz RIMDRDLXGHSDHW-CHWSQXEVSA-N 2 2 285.432 0.848 20 0 CCADLP C[NH+](C)CC1(NC(=O)CCn2cc[nH+]c2)CCC1 ZINC000280985859 195057678 /nfs/dbraw/zinc/05/76/78/195057678.db2.gz BVXKBNCYRCASEF-UHFFFAOYSA-N 2 2 250.346 0.874 20 0 CCADLP C[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC(F)F)CC2)C1 ZINC000571789539 291837701 /nfs/dbraw/zinc/83/77/01/291837701.db2.gz CNWRQUKAZZFNEW-LLVKDONJSA-N 2 2 275.343 0.784 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000247704484 285058814 /nfs/dbraw/zinc/05/88/14/285058814.db2.gz YOONSVYEXNYXGS-LSDHHAIUSA-N 2 2 297.443 0.945 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000247704484 285058815 /nfs/dbraw/zinc/05/88/15/285058815.db2.gz YOONSVYEXNYXGS-LSDHHAIUSA-N 2 2 297.443 0.945 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)[C@@H]3CC[NH2+]C3)cn2c1 ZINC000335334141 208213036 /nfs/dbraw/zinc/21/30/36/208213036.db2.gz OOUNLHAHELUWDE-LLVKDONJSA-N 2 2 258.325 0.868 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000572013675 291852828 /nfs/dbraw/zinc/85/28/28/291852828.db2.gz HTOMSPRRSFSMOL-UHFFFAOYSA-N 2 2 274.328 0.333 20 0 CCADLP [NH3+][C@H](C(=O)N[C@@H]1CC[NH2+]C1)c1c(F)cccc1F ZINC000335402047 208377278 /nfs/dbraw/zinc/37/72/78/208377278.db2.gz YGAMGOMNWQMSEY-HQJQHLMTSA-N 2 2 255.268 0.443 20 0 CCADLP COc1ccnc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)n1 ZINC000424376682 533056284 /nfs/dbraw/zinc/05/62/84/533056284.db2.gz LSNYTOSNZBDUBB-JHJVBQTASA-N 2 2 292.383 0.732 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(CCn2cc[nH+]c2)[C@H](C)C1 ZINC000249291371 285109343 /nfs/dbraw/zinc/10/93/43/285109343.db2.gz PSWWJJUBCICVLR-OLZOCXBDSA-N 2 2 252.362 0.270 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(CCn2cc[nH+]c2)[C@H](C)C1 ZINC000249291371 285109345 /nfs/dbraw/zinc/10/93/45/285109345.db2.gz PSWWJJUBCICVLR-OLZOCXBDSA-N 2 2 252.362 0.270 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[C@@H](C[NH+](C)C)C2)CCO1 ZINC000249299188 285109911 /nfs/dbraw/zinc/10/99/11/285109911.db2.gz RUHDHAZMDLQFOT-KGLIPLIRSA-N 2 2 255.406 0.591 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[C@@H](C[NH+](C)C)C2)CCO1 ZINC000249299188 285109913 /nfs/dbraw/zinc/10/99/13/285109913.db2.gz RUHDHAZMDLQFOT-KGLIPLIRSA-N 2 2 255.406 0.591 20 0 CCADLP COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000362715542 285111076 /nfs/dbraw/zinc/11/10/76/285111076.db2.gz JBZNFRZDVMQKIM-ZOBORPQBSA-N 2 2 272.389 0.347 20 0 CCADLP COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000362715542 285111078 /nfs/dbraw/zinc/11/10/78/285111078.db2.gz JBZNFRZDVMQKIM-ZOBORPQBSA-N 2 2 272.389 0.347 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](O)[C@@H](C)C2)CC1 ZINC000249602118 285132987 /nfs/dbraw/zinc/13/29/87/285132987.db2.gz YPNJOIWVFYKZHN-MELADBBJSA-N 2 2 283.416 0.242 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](O)[C@@H](C)C2)CC1 ZINC000249602118 285132990 /nfs/dbraw/zinc/13/29/90/285132990.db2.gz YPNJOIWVFYKZHN-MELADBBJSA-N 2 2 283.416 0.242 20 0 CCADLP CC(C)([NH3+])CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000258633632 285152977 /nfs/dbraw/zinc/15/29/77/285152977.db2.gz KWZGSGCQSSABMA-UHFFFAOYSA-N 2 2 251.334 0.462 20 0 CCADLP COc1ccc(C)cc1C[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000259022741 285153548 /nfs/dbraw/zinc/15/35/48/285153548.db2.gz YQODUEHOCRAGNZ-CQSZACIVSA-N 2 2 263.385 0.997 20 0 CCADLP CN(C)CC[N@H+](C)CCCNc1[nH+]cnc2c1cnn2C ZINC000288787691 197166160 /nfs/dbraw/zinc/16/61/60/197166160.db2.gz DZXFGTSOOIJLDF-UHFFFAOYSA-N 2 2 291.403 0.659 20 0 CCADLP CN(C)CC[N@@H+](C)CCCNc1[nH+]cnc2c1cnn2C ZINC000288787691 197166161 /nfs/dbraw/zinc/16/61/61/197166161.db2.gz DZXFGTSOOIJLDF-UHFFFAOYSA-N 2 2 291.403 0.659 20 0 CCADLP CCN1C[C@H](C[NH2+]Cc2c[nH+]c(C)n2C)CC1=O ZINC000657502088 413010266 /nfs/dbraw/zinc/01/02/66/413010266.db2.gz HGINKSLBZOAJQG-NSHDSACASA-N 2 2 250.346 0.687 20 0 CCADLP Cn1c2ccccc2[nH+]c1NC[C@@H]1C[NH2+]CCN1C ZINC000394783834 285218543 /nfs/dbraw/zinc/21/85/43/285218543.db2.gz JABIXLRVTAMYGV-NSHDSACASA-N 2 2 259.357 0.311 20 0 CCADLP O=C1NCC[C@@H]1CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000574867953 335053480 /nfs/dbraw/zinc/05/34/80/335053480.db2.gz JGSXAQKEKYPGDD-UONOGXRCSA-N 2 2 281.400 0.167 20 0 CCADLP O=C1NCC[C@@H]1CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000574867953 335053481 /nfs/dbraw/zinc/05/34/81/335053481.db2.gz JGSXAQKEKYPGDD-UONOGXRCSA-N 2 2 281.400 0.167 20 0 CCADLP O=C1NCC[C@H]1CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000574867952 335053509 /nfs/dbraw/zinc/05/35/09/335053509.db2.gz JGSXAQKEKYPGDD-KGLIPLIRSA-N 2 2 281.400 0.167 20 0 CCADLP O=C1NCC[C@H]1CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000574867952 335053510 /nfs/dbraw/zinc/05/35/10/335053510.db2.gz JGSXAQKEKYPGDD-KGLIPLIRSA-N 2 2 281.400 0.167 20 0 CCADLP C[C@@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@H](C)[NH3+] ZINC000417920787 533199959 /nfs/dbraw/zinc/19/99/59/533199959.db2.gz HARISSOPDORBEQ-QJPTWQEYSA-N 2 2 277.372 0.695 20 0 CCADLP COC[C@@H]1CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425339514 285279202 /nfs/dbraw/zinc/27/92/02/285279202.db2.gz SNUUJAZMJRBWBV-LLVKDONJSA-N 2 2 252.362 0.954 20 0 CCADLP COC[C@@H]1CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425339514 285279206 /nfs/dbraw/zinc/27/92/06/285279206.db2.gz SNUUJAZMJRBWBV-LLVKDONJSA-N 2 2 252.362 0.954 20 0 CCADLP CC[N@H+](C)CCNC(=O)NCC[NH+]1CCOCC1(C)C ZINC000171106064 335055371 /nfs/dbraw/zinc/05/53/71/335055371.db2.gz CHJBDWUNFKAZDA-UHFFFAOYSA-N 2 2 286.420 0.348 20 0 CCADLP CC[N@@H+](C)CCNC(=O)NCC[NH+]1CCOCC1(C)C ZINC000171106064 335055372 /nfs/dbraw/zinc/05/53/72/335055372.db2.gz CHJBDWUNFKAZDA-UHFFFAOYSA-N 2 2 286.420 0.348 20 0 CCADLP CC[NH+](C)CCNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000171106064 335055373 /nfs/dbraw/zinc/05/53/73/335055373.db2.gz CHJBDWUNFKAZDA-UHFFFAOYSA-N 2 2 286.420 0.348 20 0 CCADLP CC[NH+](C)CCNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000171106064 335055374 /nfs/dbraw/zinc/05/53/74/335055374.db2.gz CHJBDWUNFKAZDA-UHFFFAOYSA-N 2 2 286.420 0.348 20 0 CCADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000185222972 388794171 /nfs/dbraw/zinc/79/41/71/388794171.db2.gz BJNBKRKDESOCNI-AWEZNQCLSA-N 3 2 266.389 0.550 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cc(O)cc(F)c1 ZINC000185607189 388810683 /nfs/dbraw/zinc/81/06/83/388810683.db2.gz QOMARAWQDREOEQ-CYBMUJFWSA-N 2 2 256.321 0.934 20 0 CCADLP CC1CC([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000184408403 388772705 /nfs/dbraw/zinc/77/27/05/388772705.db2.gz HDKSRDKJVPEICA-JXQTWKCFSA-N 2 2 281.400 0.308 20 0 CCADLP CSCC[C@H]([NH3+])C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000011954849 388777394 /nfs/dbraw/zinc/77/73/94/388777394.db2.gz ITKKECBKBGOMBP-NSHDSACASA-N 2 2 289.445 0.294 20 0 CCADLP C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCC([NH3+])CC2)C1 ZINC000036754738 388843611 /nfs/dbraw/zinc/84/36/11/388843611.db2.gz LDTZOTZSFBSUNC-VXGBXAGGSA-N 2 2 253.390 0.914 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)NCCCn1cc[nH+]c1 ZINC000286065207 388831113 /nfs/dbraw/zinc/83/11/13/388831113.db2.gz AQQQAKSXTHUTNW-NSHDSACASA-N 2 2 253.350 0.523 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000287392643 388852126 /nfs/dbraw/zinc/85/21/26/388852126.db2.gz PBHFUQFIWMAGCT-SDEBIZQBSA-N 2 2 290.367 0.745 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)NCCn1cc[nH+]c1 ZINC000043311274 388869125 /nfs/dbraw/zinc/86/91/25/388869125.db2.gz DNBCSGLOXFBOAZ-UHFFFAOYSA-N 2 2 288.355 0.844 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)CCN1CCNC1=O ZINC000289597269 388875461 /nfs/dbraw/zinc/87/54/61/388875461.db2.gz AALCSNDILJNMKH-UHFFFAOYSA-N 2 2 251.334 0.230 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)CCN1CCNC1=O ZINC000289597269 388875465 /nfs/dbraw/zinc/87/54/65/388875465.db2.gz AALCSNDILJNMKH-UHFFFAOYSA-N 2 2 251.334 0.230 20 0 CCADLP CC[C@H](C)[N@H+](C)CCNC(=O)NCc1c[nH+]cn1C ZINC000290600044 388908139 /nfs/dbraw/zinc/90/81/39/388908139.db2.gz BXOZKRLTTXEKJC-NSHDSACASA-N 2 2 267.377 0.950 20 0 CCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)NCc1c[nH+]cn1C ZINC000290600044 388908140 /nfs/dbraw/zinc/90/81/40/388908140.db2.gz BXOZKRLTTXEKJC-NSHDSACASA-N 2 2 267.377 0.950 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000292783488 388957934 /nfs/dbraw/zinc/95/79/34/388957934.db2.gz SZZBNWKRGPCXHT-TZMCWYRMSA-N 2 2 292.383 0.582 20 0 CCADLP C[NH+](C)C1(CNC(=O)N2CCn3c[nH+]cc3C2)CCC1 ZINC000292823288 388961340 /nfs/dbraw/zinc/96/13/40/388961340.db2.gz DVJSCPIRAMVUGO-UHFFFAOYSA-N 2 2 277.372 0.893 20 0 CCADLP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCn2cc[nH+]c2C1 ZINC000062254688 388938759 /nfs/dbraw/zinc/93/87/59/388938759.db2.gz ZTYZHWSPFDJVJU-CYBMUJFWSA-N 2 2 270.336 0.795 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCc1c[nH+]cn1C ZINC000292440473 388949188 /nfs/dbraw/zinc/94/91/88/388949188.db2.gz VUBNUBFPAGTGKW-LBPRGKRZSA-N 2 2 295.387 0.282 20 0 CCADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NC(=O)NC2CC2)C1 ZINC000072858642 388971769 /nfs/dbraw/zinc/97/17/69/388971769.db2.gz QXDZAISOJDOCTG-LLVKDONJSA-N 2 2 282.388 0.248 20 0 CCADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NC(=O)NC2CC2)C1 ZINC000072858642 388971772 /nfs/dbraw/zinc/97/17/72/388971772.db2.gz QXDZAISOJDOCTG-LLVKDONJSA-N 2 2 282.388 0.248 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000072858642 388971776 /nfs/dbraw/zinc/97/17/76/388971776.db2.gz QXDZAISOJDOCTG-LLVKDONJSA-N 2 2 282.388 0.248 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000072858642 388971777 /nfs/dbraw/zinc/97/17/77/388971777.db2.gz QXDZAISOJDOCTG-LLVKDONJSA-N 2 2 282.388 0.248 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000354623648 389029392 /nfs/dbraw/zinc/02/93/92/389029392.db2.gz FNBGUPMWEFZJTK-ZDUSSCGKSA-N 3 2 299.463 0.262 20 0 CCADLP COCCN(C)CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336785825 389017917 /nfs/dbraw/zinc/01/79/17/389017917.db2.gz AOVNJXJDWHQNER-UHFFFAOYSA-N 2 2 255.406 0.781 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000336794930 389019264 /nfs/dbraw/zinc/01/92/64/389019264.db2.gz GSYCLIOEOYHFQI-CHWSQXEVSA-N 2 2 274.430 0.980 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000336794930 389019268 /nfs/dbraw/zinc/01/92/68/389019268.db2.gz GSYCLIOEOYHFQI-CHWSQXEVSA-N 2 2 274.430 0.980 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000336794930 389019272 /nfs/dbraw/zinc/01/92/72/389019272.db2.gz GSYCLIOEOYHFQI-CHWSQXEVSA-N 2 2 274.430 0.980 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000336794930 389019279 /nfs/dbraw/zinc/01/92/79/389019279.db2.gz GSYCLIOEOYHFQI-CHWSQXEVSA-N 2 2 274.430 0.980 20 0 CCADLP C[C@@H](CN1CCOCC1)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000091512386 389024070 /nfs/dbraw/zinc/02/40/70/389024070.db2.gz IFOPAMPXGWTRJI-JKSUJKDBSA-N 2 2 297.443 0.361 20 0 CCADLP C[C@@H](CN1CCOCC1)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000091512386 389024072 /nfs/dbraw/zinc/02/40/72/389024072.db2.gz IFOPAMPXGWTRJI-JKSUJKDBSA-N 2 2 297.443 0.361 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@@H+]1C ZINC000355519063 389088248 /nfs/dbraw/zinc/08/82/48/389088248.db2.gz JFCKDNGLKCGTGC-KGLIPLIRSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@H+]1C ZINC000355519063 389088249 /nfs/dbraw/zinc/08/82/49/389088249.db2.gz JFCKDNGLKCGTGC-KGLIPLIRSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)CCS1 ZINC000121160439 389145938 /nfs/dbraw/zinc/14/59/38/389145938.db2.gz NHAUVRRYIDUSFE-CYBMUJFWSA-N 2 2 285.457 0.834 20 0 CCADLP CC(C)[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CCS1 ZINC000121160439 389145940 /nfs/dbraw/zinc/14/59/40/389145940.db2.gz NHAUVRRYIDUSFE-CYBMUJFWSA-N 2 2 285.457 0.834 20 0 CCADLP CN(CC[NH+]1CCCC1)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000355579978 389096727 /nfs/dbraw/zinc/09/67/27/389096727.db2.gz VWFNLGCEFOEWOB-UHFFFAOYSA-N 2 2 295.427 0.796 20 0 CCADLP Cc1[nH+]ccn1CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000310804349 389098548 /nfs/dbraw/zinc/09/85/48/389098548.db2.gz BBFHVVKJRALZDJ-CYBMUJFWSA-N 3 2 252.362 0.236 20 0 CCADLP Cc1[nH+]ccn1CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000310804349 389098552 /nfs/dbraw/zinc/09/85/52/389098552.db2.gz BBFHVVKJRALZDJ-CYBMUJFWSA-N 3 2 252.362 0.236 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)c1ccccc1 ZINC000310815777 389098759 /nfs/dbraw/zinc/09/87/59/389098759.db2.gz AUVFQUUUFOAPBW-KBPBESRZSA-N 2 2 252.358 0.622 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)c1ccccc1 ZINC000310815777 389098763 /nfs/dbraw/zinc/09/87/63/389098763.db2.gz AUVFQUUUFOAPBW-KBPBESRZSA-N 2 2 252.358 0.622 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000355595932 389098878 /nfs/dbraw/zinc/09/88/78/389098878.db2.gz JFUAFBYQVPOIJP-AWEZNQCLSA-N 2 2 284.448 0.328 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000355595932 389098884 /nfs/dbraw/zinc/09/88/84/389098884.db2.gz JFUAFBYQVPOIJP-AWEZNQCLSA-N 2 2 284.448 0.328 20 0 CCADLP C[C@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)CC(C)(C)O1 ZINC000311123436 389101927 /nfs/dbraw/zinc/10/19/27/389101927.db2.gz YEHOODVPILPTKG-AAEUAGOBSA-N 2 2 256.390 0.941 20 0 CCADLP C[C@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)CC(C)(C)O1 ZINC000311123436 389101929 /nfs/dbraw/zinc/10/19/29/389101929.db2.gz YEHOODVPILPTKG-AAEUAGOBSA-N 2 2 256.390 0.941 20 0 CCADLP C[C@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC(C)(C)O1 ZINC000311123436 389101933 /nfs/dbraw/zinc/10/19/33/389101933.db2.gz YEHOODVPILPTKG-AAEUAGOBSA-N 2 2 256.390 0.941 20 0 CCADLP C[C@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC(C)(C)O1 ZINC000311123436 389101936 /nfs/dbraw/zinc/10/19/36/389101936.db2.gz YEHOODVPILPTKG-AAEUAGOBSA-N 2 2 256.390 0.941 20 0 CCADLP COCc1ccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)o1 ZINC000313351892 389113412 /nfs/dbraw/zinc/11/34/12/389113412.db2.gz KVIQQYOCRFJXSQ-ZDUSSCGKSA-N 2 2 254.330 0.976 20 0 CCADLP COCc1ccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)o1 ZINC000313351892 389113413 /nfs/dbraw/zinc/11/34/13/389113413.db2.gz KVIQQYOCRFJXSQ-ZDUSSCGKSA-N 2 2 254.330 0.976 20 0 CCADLP CCC(CC)NC(=O)[C@H](C)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313395571 389113630 /nfs/dbraw/zinc/11/36/30/389113630.db2.gz PLOZETGWSMSJHR-AAEUAGOBSA-N 2 2 271.405 0.729 20 0 CCADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313395571 389113634 /nfs/dbraw/zinc/11/36/34/389113634.db2.gz PLOZETGWSMSJHR-AAEUAGOBSA-N 2 2 271.405 0.729 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000111785855 389114318 /nfs/dbraw/zinc/11/43/18/389114318.db2.gz MCKVXIKCLSVGOS-UHFFFAOYSA-N 2 2 295.387 0.247 20 0 CCADLP COCCCNC(=O)C[N@@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000316103819 389119593 /nfs/dbraw/zinc/11/95/93/389119593.db2.gz LHCWLTIQCOIDAR-AGIUHOORSA-N 2 2 271.405 0.587 20 0 CCADLP COCCCNC(=O)C[N@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000316103819 389119595 /nfs/dbraw/zinc/11/95/95/389119595.db2.gz LHCWLTIQCOIDAR-AGIUHOORSA-N 2 2 271.405 0.587 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)[NH+](C)C ZINC000114858042 389131846 /nfs/dbraw/zinc/13/18/46/389131846.db2.gz MBLLMBIXUFAYJD-ZIAGYGMSSA-N 2 2 283.416 0.552 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)[NH+](C)C ZINC000114858042 389131848 /nfs/dbraw/zinc/13/18/48/389131848.db2.gz MBLLMBIXUFAYJD-ZIAGYGMSSA-N 2 2 283.416 0.552 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CC2(C1)CCOCC2)C1CC1 ZINC000357442193 389134716 /nfs/dbraw/zinc/13/47/16/389134716.db2.gz SIKKTBIJPZTYQW-ZDUSSCGKSA-N 2 2 254.374 0.554 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CC2(C1)CCOCC2)C1CC1 ZINC000357442193 389134718 /nfs/dbraw/zinc/13/47/18/389134718.db2.gz SIKKTBIJPZTYQW-ZDUSSCGKSA-N 2 2 254.374 0.554 20 0 CCADLP CNC(=O)[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)CCO1 ZINC000359656225 389180404 /nfs/dbraw/zinc/18/04/04/389180404.db2.gz VYQBRABNESRFLW-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP CNC(=O)[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)CCO1 ZINC000359656225 389180407 /nfs/dbraw/zinc/18/04/07/389180407.db2.gz VYQBRABNESRFLW-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP CNC(=O)[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC000359656225 389180409 /nfs/dbraw/zinc/18/04/09/389180409.db2.gz VYQBRABNESRFLW-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP CNC(=O)[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)CCO1 ZINC000359656225 389180411 /nfs/dbraw/zinc/18/04/11/389180411.db2.gz VYQBRABNESRFLW-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP COCC[N@H+](C)CCCNCc1[nH+]cc(C)n1C ZINC000341090099 389185679 /nfs/dbraw/zinc/18/56/79/389185679.db2.gz ILAJCLVJOWEBNY-UHFFFAOYSA-N 2 2 254.378 0.786 20 0 CCADLP COCC[N@@H+](C)CCCNCc1[nH+]cc(C)n1C ZINC000341090099 389185681 /nfs/dbraw/zinc/18/56/81/389185681.db2.gz ILAJCLVJOWEBNY-UHFFFAOYSA-N 2 2 254.378 0.786 20 0 CCADLP Cc1cc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)no1 ZINC000362829542 389241619 /nfs/dbraw/zinc/24/16/19/389241619.db2.gz HCCUTWGHUSTGCZ-ZDUSSCGKSA-N 2 2 278.356 0.379 20 0 CCADLP Cc1cc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)no1 ZINC000362829542 389241621 /nfs/dbraw/zinc/24/16/21/389241621.db2.gz HCCUTWGHUSTGCZ-ZDUSSCGKSA-N 2 2 278.356 0.379 20 0 CCADLP COC(=O)CC[C@@H]([NH3+])C(=O)NCc1[nH+]ccn1CC(C)C ZINC000342700632 389243791 /nfs/dbraw/zinc/24/37/91/389243791.db2.gz ILNDHSISFIKJTQ-LLVKDONJSA-N 2 2 296.371 0.436 20 0 CCADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)CO)C1 ZINC000330808154 389254896 /nfs/dbraw/zinc/25/48/96/389254896.db2.gz LWWGAMPTVBFPSH-BPLDGKMQSA-N 2 2 264.369 0.765 20 0 CCADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)CO)C1 ZINC000330808154 389254898 /nfs/dbraw/zinc/25/48/98/389254898.db2.gz LWWGAMPTVBFPSH-BPLDGKMQSA-N 2 2 264.369 0.765 20 0 CCADLP C[C@@H]1CC[C@H](C[N@H+]2CCO[C@@H](CN3CC[NH+](C)CC3)C2)O1 ZINC000364381136 389260841 /nfs/dbraw/zinc/26/08/41/389260841.db2.gz JDIHPFOBAMHAOX-OAGGEKHMSA-N 2 2 297.443 0.502 20 0 CCADLP C[C@@H]1OCC[NH2+][C@@H]1C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000361083219 389207955 /nfs/dbraw/zinc/20/79/55/389207955.db2.gz XKSIKWYGPVJZQT-HZMBPMFUSA-N 2 2 291.351 0.484 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1CC[N@H+]1CCCOCC1 ZINC000361395804 389215352 /nfs/dbraw/zinc/21/53/52/389215352.db2.gz QBYQTBNXSCFKRF-CVEARBPZSA-N 2 2 297.443 0.504 20 0 CCADLP C[C@H](CCS(C)(=O)=O)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000247037223 389234688 /nfs/dbraw/zinc/23/46/88/389234688.db2.gz LOCMLJVAUQHJBN-IJLUTSLNSA-N 2 2 262.419 0.882 20 0 CCADLP C[C@H](CCS(C)(=O)=O)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000247037223 389234690 /nfs/dbraw/zinc/23/46/90/389234690.db2.gz LOCMLJVAUQHJBN-IJLUTSLNSA-N 2 2 262.419 0.882 20 0 CCADLP O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2CCn2cc[nH+]c2)CN1 ZINC000133770783 389238784 /nfs/dbraw/zinc/23/87/84/389238784.db2.gz AEGFJDSTXRZTDT-OLZOCXBDSA-N 2 2 262.357 0.874 20 0 CCADLP O=C1C[C@@H]([C@@H]2CCCC[N@H+]2CCn2cc[nH+]c2)CN1 ZINC000133770783 389238787 /nfs/dbraw/zinc/23/87/87/389238787.db2.gz AEGFJDSTXRZTDT-OLZOCXBDSA-N 2 2 262.357 0.874 20 0 CCADLP CC(C)(O)CC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000367318205 389329853 /nfs/dbraw/zinc/32/98/53/389329853.db2.gz DTMAIEHVEUZEMT-CYBMUJFWSA-N 2 2 283.416 0.562 20 0 CCADLP CC(C)(O)CC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000367318205 389329855 /nfs/dbraw/zinc/32/98/55/389329855.db2.gz DTMAIEHVEUZEMT-CYBMUJFWSA-N 2 2 283.416 0.562 20 0 CCADLP C[C@@H]1CC[C@H](C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)O1 ZINC000364495280 389270491 /nfs/dbraw/zinc/27/04/91/389270491.db2.gz ZZRWIRGTKOPKBP-YUELXQCFSA-N 2 2 295.427 0.968 20 0 CCADLP C[C@@H]1CC[C@H](C[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)O1 ZINC000364495280 389270493 /nfs/dbraw/zinc/27/04/93/389270493.db2.gz ZZRWIRGTKOPKBP-YUELXQCFSA-N 2 2 295.427 0.968 20 0 CCADLP CCC[N@H+](C[C@H]1CCC[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC000261583479 389272212 /nfs/dbraw/zinc/27/22/12/389272212.db2.gz RUPCXYAMPMZXNK-STQMWFEESA-N 2 2 274.430 0.885 20 0 CCADLP CCC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC000261583479 389272213 /nfs/dbraw/zinc/27/22/13/389272213.db2.gz RUPCXYAMPMZXNK-STQMWFEESA-N 2 2 274.430 0.885 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H]2CCOC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343871360 389275170 /nfs/dbraw/zinc/27/51/70/389275170.db2.gz IWGHVEOXKCMMDQ-BZUAXINKSA-N 2 2 281.444 0.981 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H]2CCOC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343871360 389275174 /nfs/dbraw/zinc/27/51/74/389275174.db2.gz IWGHVEOXKCMMDQ-BZUAXINKSA-N 2 2 281.444 0.981 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCc3nc(C)nn3C2)C1 ZINC000344056731 389277863 /nfs/dbraw/zinc/27/78/63/389277863.db2.gz IJOKEGWNFQJFKE-WCFLWFBJSA-N 2 2 263.389 0.831 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCc3nc(C)nn3C2)C1 ZINC000344056731 389277866 /nfs/dbraw/zinc/27/78/66/389277866.db2.gz IJOKEGWNFQJFKE-WCFLWFBJSA-N 2 2 263.389 0.831 20 0 CCADLP Cn1ccnc1C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000261936304 389278762 /nfs/dbraw/zinc/27/87/62/389278762.db2.gz DFTPVTXSSMNSSJ-GFCCVEGCSA-N 2 2 279.388 0.240 20 0 CCADLP Cn1ccnc1C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000261936304 389278765 /nfs/dbraw/zinc/27/87/65/389278765.db2.gz DFTPVTXSSMNSSJ-GFCCVEGCSA-N 2 2 279.388 0.240 20 0 CCADLP C[C@H]1C[N@H+](C)CCN1c1ncnc2c1C[NH+](C)CC2 ZINC000344429969 389281502 /nfs/dbraw/zinc/28/15/02/389281502.db2.gz LFTSUOTVYHLKMB-NSHDSACASA-N 2 2 261.373 0.605 20 0 CCADLP C[C@H]1C[N@@H+](C)CCN1c1ncnc2c1C[NH+](C)CC2 ZINC000344429969 389281503 /nfs/dbraw/zinc/28/15/03/389281503.db2.gz LFTSUOTVYHLKMB-NSHDSACASA-N 2 2 261.373 0.605 20 0 CCADLP C[C@H]1C[NH+](C)CCN1c1ncnc2c1C[N@H+](C)CC2 ZINC000344429969 389281505 /nfs/dbraw/zinc/28/15/05/389281505.db2.gz LFTSUOTVYHLKMB-NSHDSACASA-N 2 2 261.373 0.605 20 0 CCADLP C[C@H]1C[NH+](C)CCN1c1ncnc2c1C[N@@H+](C)CC2 ZINC000344429969 389281506 /nfs/dbraw/zinc/28/15/06/389281506.db2.gz LFTSUOTVYHLKMB-NSHDSACASA-N 2 2 261.373 0.605 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000262245025 389283822 /nfs/dbraw/zinc/28/38/22/389283822.db2.gz CFDPRMHJQOTCKG-UPJWGTAASA-N 2 2 269.389 0.341 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152383688 389289770 /nfs/dbraw/zinc/28/97/70/389289770.db2.gz WERHEPAZBDYWKY-CYBMUJFWSA-N 2 2 299.415 0.282 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152383688 389289773 /nfs/dbraw/zinc/28/97/73/389289773.db2.gz WERHEPAZBDYWKY-CYBMUJFWSA-N 2 2 299.415 0.282 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152383688 389289775 /nfs/dbraw/zinc/28/97/75/389289775.db2.gz WERHEPAZBDYWKY-CYBMUJFWSA-N 2 2 299.415 0.282 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152383688 389289777 /nfs/dbraw/zinc/28/97/77/389289777.db2.gz WERHEPAZBDYWKY-CYBMUJFWSA-N 2 2 299.415 0.282 20 0 CCADLP C[C@@H]1C[N@@H+](CC2CC[NH+](CC[NH3+])CC2)C[C@H](C)O1 ZINC000262961597 389296901 /nfs/dbraw/zinc/29/69/01/389296901.db2.gz KTPPDPJCAAJQPP-BETUJISGSA-N 3 2 255.406 0.766 20 0 CCADLP C[C@@H]1C[N@H+](CC2CC[NH+](CC[NH3+])CC2)C[C@H](C)O1 ZINC000262961597 389296905 /nfs/dbraw/zinc/29/69/05/389296905.db2.gz KTPPDPJCAAJQPP-BETUJISGSA-N 3 2 255.406 0.766 20 0 CCADLP COCC[N@H+](C)CCC[NH2+][C@H]1CC[NH+](C)C[C@H]1C ZINC000153756086 389308044 /nfs/dbraw/zinc/30/80/44/389308044.db2.gz FYQFDVFKBALNPH-KGLIPLIRSA-N 3 2 257.422 0.885 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+][C@H]1CC[NH+](C)C[C@H]1C ZINC000153756086 389308047 /nfs/dbraw/zinc/30/80/47/389308047.db2.gz FYQFDVFKBALNPH-KGLIPLIRSA-N 3 2 257.422 0.885 20 0 CCADLP COCC[NH+](C)CCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000153756086 389308048 /nfs/dbraw/zinc/30/80/48/389308048.db2.gz FYQFDVFKBALNPH-KGLIPLIRSA-N 3 2 257.422 0.885 20 0 CCADLP COCC[NH+](C)CCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000153756086 389308050 /nfs/dbraw/zinc/30/80/50/389308050.db2.gz FYQFDVFKBALNPH-KGLIPLIRSA-N 3 2 257.422 0.885 20 0 CCADLP CC[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369373303 389395180 /nfs/dbraw/zinc/39/51/80/389395180.db2.gz OTHJTFBVBILCEN-OLZOCXBDSA-N 2 2 298.431 0.225 20 0 CCADLP CC[C@H](CO)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369373303 389395184 /nfs/dbraw/zinc/39/51/84/389395184.db2.gz OTHJTFBVBILCEN-OLZOCXBDSA-N 2 2 298.431 0.225 20 0 CCADLP C[C@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[N@@H+]1C ZINC000332746927 389364632 /nfs/dbraw/zinc/36/46/32/389364632.db2.gz QFMUAOGJYZDCSS-NWDGAFQWSA-N 2 2 264.373 0.952 20 0 CCADLP C[C@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[N@H+]1C ZINC000332746927 389364634 /nfs/dbraw/zinc/36/46/34/389364634.db2.gz QFMUAOGJYZDCSS-NWDGAFQWSA-N 2 2 264.373 0.952 20 0 CCADLP CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000422731009 389461202 /nfs/dbraw/zinc/46/12/02/389461202.db2.gz GCHLCUMHMJGYSO-QWHCGFSZSA-N 2 2 283.397 0.564 20 0 CCADLP CNS(=O)(=O)c1cccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000422728862 389461339 /nfs/dbraw/zinc/46/13/39/389461339.db2.gz AYLXEODCSZRPSD-RISCZKNCSA-N 2 2 297.424 0.682 20 0 CCADLP OC[C@@H]([NH2+]CC[NH+]1CCCCC1)[C@H]1CCCOC1 ZINC000411990743 389472841 /nfs/dbraw/zinc/47/28/41/389472841.db2.gz ILLDVEGXPZJCPN-UONOGXRCSA-N 2 2 256.390 0.849 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000334364324 389473877 /nfs/dbraw/zinc/47/38/77/389473877.db2.gz GHICKYSKELSUEF-TZMCWYRMSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000334364324 389473881 /nfs/dbraw/zinc/47/38/81/389473881.db2.gz GHICKYSKELSUEF-TZMCWYRMSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@H](C(=O)N(C)C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000334364324 389473883 /nfs/dbraw/zinc/47/38/83/389473883.db2.gz GHICKYSKELSUEF-TZMCWYRMSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@H](C(=O)N(C)C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000334364324 389473886 /nfs/dbraw/zinc/47/38/86/389473886.db2.gz GHICKYSKELSUEF-TZMCWYRMSA-N 2 2 253.390 0.881 20 0 CCADLP C(C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)C[NH+]1CCCC1 ZINC000422787724 389475804 /nfs/dbraw/zinc/47/58/04/389475804.db2.gz QGBAVSJMQNKYLZ-LSDHHAIUSA-N 3 2 267.417 0.829 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@](C)(F)C2)CC1 ZINC000334372991 389477347 /nfs/dbraw/zinc/47/73/47/389477347.db2.gz ZHJFWPPKNKAMKJ-GXTWGEPZSA-N 2 2 271.380 0.973 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@](C)(F)C2)CC1 ZINC000334372991 389477352 /nfs/dbraw/zinc/47/73/52/389477352.db2.gz ZHJFWPPKNKAMKJ-GXTWGEPZSA-N 2 2 271.380 0.973 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C[C@@H](C)[NH2+]1 ZINC000422816076 389480543 /nfs/dbraw/zinc/48/05/43/389480543.db2.gz DGNSUDJCXNWHML-NFAWXSAZSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C[C@@H](C)[NH2+]1 ZINC000422816076 389480545 /nfs/dbraw/zinc/48/05/45/389480545.db2.gz DGNSUDJCXNWHML-NFAWXSAZSA-N 2 2 295.427 0.839 20 0 CCADLP C[N@@H+]1CCC[C@H]1CNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413166458 389483762 /nfs/dbraw/zinc/48/37/62/389483762.db2.gz GJUXDMOXGQNECO-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP C[N@H+]1CCC[C@H]1CNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413166458 389483766 /nfs/dbraw/zinc/48/37/66/389483766.db2.gz GJUXDMOXGQNECO-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[N@H+](CC)CCN[C@@H]1CC[NH2+][C@H]1C(=O)OCC ZINC000422825851 389483904 /nfs/dbraw/zinc/48/39/04/389483904.db2.gz QBMJZSBHJMHGBY-CHWSQXEVSA-N 2 2 271.405 0.602 20 0 CCADLP CCC[N@@H+](CC)CCN[C@@H]1CC[NH2+][C@H]1C(=O)OCC ZINC000422825851 389483908 /nfs/dbraw/zinc/48/39/08/389483908.db2.gz QBMJZSBHJMHGBY-CHWSQXEVSA-N 2 2 271.405 0.602 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(c2cc(NC3CC3)[nH+]cn2)[C@@H](C)C1 ZINC000413253434 389485521 /nfs/dbraw/zinc/48/55/21/389485521.db2.gz UXPQZWFOCSERTF-NWDGAFQWSA-N 2 2 291.399 0.942 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(c2cc(NC3CC3)[nH+]cn2)[C@@H](C)C1 ZINC000413253434 389485525 /nfs/dbraw/zinc/48/55/25/389485525.db2.gz UXPQZWFOCSERTF-NWDGAFQWSA-N 2 2 291.399 0.942 20 0 CCADLP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)C(=O)N1CCOCC1 ZINC000422846050 389489942 /nfs/dbraw/zinc/48/99/42/389489942.db2.gz DQNSGKJWUFXNFK-AGIUHOORSA-N 2 2 269.389 0.354 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000422847458 389490915 /nfs/dbraw/zinc/49/09/15/389490915.db2.gz IHKDUCWOGNUZJQ-STQMWFEESA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000422847458 389490919 /nfs/dbraw/zinc/49/09/19/389490919.db2.gz IHKDUCWOGNUZJQ-STQMWFEESA-N 2 2 298.431 0.029 20 0 CCADLP CN(C)c1ncc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cn1 ZINC000271179216 389439863 /nfs/dbraw/zinc/43/98/63/389439863.db2.gz LKVSMMCMPJWDPD-GFCCVEGCSA-N 2 2 263.389 0.926 20 0 CCADLP CN(C)c1ncc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cn1 ZINC000271179216 389439870 /nfs/dbraw/zinc/43/98/70/389439870.db2.gz LKVSMMCMPJWDPD-GFCCVEGCSA-N 2 2 263.389 0.926 20 0 CCADLP COCCCNC(=O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000411664460 389442189 /nfs/dbraw/zinc/44/21/89/389442189.db2.gz GEPFAKRQRLXTQU-CQSZACIVSA-N 2 2 293.367 0.687 20 0 CCADLP COCCCNC(=O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000411664460 389442194 /nfs/dbraw/zinc/44/21/94/389442194.db2.gz GEPFAKRQRLXTQU-CQSZACIVSA-N 2 2 293.367 0.687 20 0 CCADLP COC(=O)[C@@H]1CN(C)CC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000411907195 389457209 /nfs/dbraw/zinc/45/72/09/389457209.db2.gz CTDRYSDYXBLSBN-CQSZACIVSA-N 2 2 294.399 0.618 20 0 CCADLP COC(=O)[C@@H]1CN(C)CC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000411907195 389457214 /nfs/dbraw/zinc/45/72/14/389457214.db2.gz CTDRYSDYXBLSBN-CQSZACIVSA-N 2 2 294.399 0.618 20 0 CCADLP COC(=O)[C@H]1CN(CCCn2cc[nH+]c2C)CC[N@H+](C)C1 ZINC000411907195 389457220 /nfs/dbraw/zinc/45/72/20/389457220.db2.gz CTDRYSDYXBLSBN-CQSZACIVSA-N 2 2 294.399 0.618 20 0 CCADLP COC(=O)[C@H]1CN(CCCn2cc[nH+]c2C)CC[N@@H+](C)C1 ZINC000411907195 389457223 /nfs/dbraw/zinc/45/72/23/389457223.db2.gz CTDRYSDYXBLSBN-CQSZACIVSA-N 2 2 294.399 0.618 20 0 CCADLP O=C(NCCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)C1CCC1 ZINC000422918128 389506181 /nfs/dbraw/zinc/50/61/81/389506181.db2.gz GQPWZIPNDPSIHQ-CABCVRRESA-N 2 2 295.427 0.649 20 0 CCADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)N1CCNC1=O ZINC000173634107 389506162 /nfs/dbraw/zinc/50/61/62/389506162.db2.gz MKYFCORATQRNON-GFCCVEGCSA-N 2 2 282.388 0.344 20 0 CCADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)N1CCNC1=O ZINC000173634107 389506165 /nfs/dbraw/zinc/50/61/65/389506165.db2.gz MKYFCORATQRNON-GFCCVEGCSA-N 2 2 282.388 0.344 20 0 CCADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC(=O)N1CCNC1=O ZINC000173634107 389506166 /nfs/dbraw/zinc/50/61/66/389506166.db2.gz MKYFCORATQRNON-GFCCVEGCSA-N 2 2 282.388 0.344 20 0 CCADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC(=O)N1CCNC1=O ZINC000173634107 389506169 /nfs/dbraw/zinc/50/61/69/389506169.db2.gz MKYFCORATQRNON-GFCCVEGCSA-N 2 2 282.388 0.344 20 0 CCADLP CCN(CC)C(=O)CCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422954867 389510164 /nfs/dbraw/zinc/51/01/64/389510164.db2.gz IIFGQACNGPVFHY-ZBFHGGJFSA-N 2 2 297.443 0.992 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000422968428 389511266 /nfs/dbraw/zinc/51/12/66/389511266.db2.gz WWAVQJXUYJUTEG-QLFBSQMISA-N 2 2 297.443 0.990 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000422968430 389511326 /nfs/dbraw/zinc/51/13/26/389511326.db2.gz WWAVQJXUYJUTEG-RRFJBIMHSA-N 2 2 297.443 0.990 20 0 CCADLP CC(C)COC[C@H](O)C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000422972586 389513086 /nfs/dbraw/zinc/51/30/86/389513086.db2.gz MHFHBOBQJWAJSI-MELADBBJSA-N 2 2 274.405 0.377 20 0 CCADLP CC[C@H](O)C[NH+]1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000276556500 389518056 /nfs/dbraw/zinc/51/80/56/389518056.db2.gz IOQUNKDBBODWER-ZDUSSCGKSA-N 2 2 280.372 0.257 20 0 CCADLP CC[C@H](O)C[NH+]1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000276556500 389518058 /nfs/dbraw/zinc/51/80/58/389518058.db2.gz IOQUNKDBBODWER-ZDUSSCGKSA-N 2 2 280.372 0.257 20 0 CCADLP Fc1cccnc1OCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422993499 389518342 /nfs/dbraw/zinc/51/83/42/389518342.db2.gz FTLVMSCAXSSBNR-UONOGXRCSA-N 2 2 295.358 0.956 20 0 CCADLP CC[C@@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)[C@@H]1CCC[NH2+]1 ZINC000423026715 389523669 /nfs/dbraw/zinc/52/36/69/389523669.db2.gz NQWPBUHCXQVMCD-ZNMIVQPWSA-N 2 2 267.417 0.970 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000423088202 389532922 /nfs/dbraw/zinc/53/29/22/389532922.db2.gz RHDDDFYAIGLGSZ-HZSPNIEDSA-N 2 2 297.443 0.990 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000423088202 389532928 /nfs/dbraw/zinc/53/29/28/389532928.db2.gz RHDDDFYAIGLGSZ-HZSPNIEDSA-N 2 2 297.443 0.990 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCCN(c2ccnn2C)C1 ZINC000423091934 389532977 /nfs/dbraw/zinc/53/29/77/389532977.db2.gz ZQMLMYJAHCILRE-MGPQQGTHSA-N 2 2 277.416 0.977 20 0 CCADLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423222443 389554098 /nfs/dbraw/zinc/55/40/98/389554098.db2.gz AZIUZLGWDUMBSH-NSHDSACASA-N 2 2 285.413 0.807 20 0 CCADLP [NH3+]C[C@H]1CCN(C(=O)[C@H]([NH3+])c2c(F)cccc2F)C1 ZINC000335418146 389555698 /nfs/dbraw/zinc/55/56/98/389555698.db2.gz QQSHYLUGAWIKDP-PRHODGIISA-N 2 2 269.295 0.772 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@H]([NH3+])c1ccccc1 ZINC000423249107 389556666 /nfs/dbraw/zinc/55/66/66/389556666.db2.gz OFRZGDNKGATZFQ-MELADBBJSA-N 2 2 277.368 0.570 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@H](C[NH3+])C1CCCCC1 ZINC000423260886 389557553 /nfs/dbraw/zinc/55/75/53/389557553.db2.gz IPRCFWHUKTUAED-MGPQQGTHSA-N 2 2 283.416 0.777 20 0 CCADLP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423260886 389557555 /nfs/dbraw/zinc/55/75/55/389557555.db2.gz IPRCFWHUKTUAED-MGPQQGTHSA-N 2 2 283.416 0.777 20 0 CCADLP C[C@H]1C[N@H+](CCCNC(=O)Cn2cc[nH+]c2)CCCO1 ZINC000278648745 389560535 /nfs/dbraw/zinc/56/05/35/389560535.db2.gz SOKAGDYYHQTNAA-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP C[C@H]1C[N@@H+](CCCNC(=O)Cn2cc[nH+]c2)CCCO1 ZINC000278648745 389560539 /nfs/dbraw/zinc/56/05/39/389560539.db2.gz SOKAGDYYHQTNAA-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP COCC[NH2+]CC[NH2+][C@@H](Cn1cccn1)C(C)C ZINC000423319755 389564335 /nfs/dbraw/zinc/56/43/35/389564335.db2.gz CWMRXZHJECNTMW-ZDUSSCGKSA-N 2 2 254.378 0.733 20 0 CCADLP CCCNC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374322418 389567138 /nfs/dbraw/zinc/56/71/38/389567138.db2.gz CWPNDVQENKOMQC-GJZGRUSLSA-N 2 2 296.459 0.470 20 0 CCADLP CCCNC(=O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374322418 389567142 /nfs/dbraw/zinc/56/71/42/389567142.db2.gz CWPNDVQENKOMQC-GJZGRUSLSA-N 2 2 296.459 0.470 20 0 CCADLP C[C@H](O)CNc1cc(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)nc[nH+]1 ZINC000413322441 389495896 /nfs/dbraw/zinc/49/58/96/389495896.db2.gz SCPRWUZWFIYYNN-SDDRHHMPSA-N 2 2 277.372 0.410 20 0 CCADLP C[C@H](O)CNc1cc(N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)nc[nH+]1 ZINC000413322441 389495902 /nfs/dbraw/zinc/49/59/02/389495902.db2.gz SCPRWUZWFIYYNN-SDDRHHMPSA-N 2 2 277.372 0.410 20 0 CCADLP CN(CC(C)(C)C[NH3+])C(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000422903295 389503152 /nfs/dbraw/zinc/50/31/52/389503152.db2.gz VYGDSSUBJUDSCM-CQSZACIVSA-N 2 2 297.443 0.931 20 0 CCADLP CN(CC(C)(C)C[NH3+])C(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000422903295 389503153 /nfs/dbraw/zinc/50/31/53/389503153.db2.gz VYGDSSUBJUDSCM-CQSZACIVSA-N 2 2 297.443 0.931 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)[C@H]3C[C@@H]([NH3+])C3)cn2c1 ZINC000335454650 389568322 /nfs/dbraw/zinc/56/83/22/389568322.db2.gz LOJSUYJSEZFRRQ-PHIMTYICSA-N 2 2 258.325 0.996 20 0 CCADLP CC(C)OC(=O)CC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000173520621 389503927 /nfs/dbraw/zinc/50/39/27/389503927.db2.gz QPKUGOLPFNGFLF-UHFFFAOYSA-N 2 2 285.388 0.034 20 0 CCADLP C[C@H](CCN1CCOCC1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422909941 389504784 /nfs/dbraw/zinc/50/47/84/389504784.db2.gz GYWIZDVHSCADSS-BFHYXJOUSA-N 2 2 255.406 0.685 20 0 CCADLP C[C@H](CC[NH+]1CCOCC1)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000422909941 389504786 /nfs/dbraw/zinc/50/47/86/389504786.db2.gz GYWIZDVHSCADSS-BFHYXJOUSA-N 2 2 255.406 0.685 20 0 CCADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)C[C@H]3CCCC[C@H]3[NH3+])C[C@@H]21 ZINC000423934260 389616000 /nfs/dbraw/zinc/61/60/00/389616000.db2.gz VEFOQDXVJYTMIT-APIJFGDWSA-N 2 2 295.427 0.826 20 0 CCADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)C[C@H]3CCCC[C@H]3[NH3+])C[C@@H]21 ZINC000423934260 389616004 /nfs/dbraw/zinc/61/60/04/389616004.db2.gz VEFOQDXVJYTMIT-APIJFGDWSA-N 2 2 295.427 0.826 20 0 CCADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000414964199 389647533 /nfs/dbraw/zinc/64/75/33/389647533.db2.gz LYMFKMOJRKBANG-ZDUSSCGKSA-N 2 2 277.368 0.451 20 0 CCADLP Cc1nc(N2CCC(O)(C[NH+]3CCOCC3)CC2)cc[nH+]1 ZINC000374965357 389624485 /nfs/dbraw/zinc/62/44/85/389624485.db2.gz SUIACQYGDNLRSC-UHFFFAOYSA-N 2 2 292.383 0.449 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000414736270 389634121 /nfs/dbraw/zinc/63/41/21/389634121.db2.gz GLCFUQAATHILBH-DGCLKSJQSA-N 2 2 268.405 0.896 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000414736270 389634123 /nfs/dbraw/zinc/63/41/23/389634123.db2.gz GLCFUQAATHILBH-DGCLKSJQSA-N 2 2 268.405 0.896 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000414753748 389635423 /nfs/dbraw/zinc/63/54/23/389635423.db2.gz FDBMWBKHILFACH-ZNMIVQPWSA-N 2 2 280.416 0.801 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000414753748 389635424 /nfs/dbraw/zinc/63/54/24/389635424.db2.gz FDBMWBKHILFACH-ZNMIVQPWSA-N 2 2 280.416 0.801 20 0 CCADLP COCCn1cc(C[N@H+](C)C2(C[NH3+])CCC2)cn1 ZINC000414779012 389637635 /nfs/dbraw/zinc/63/76/35/389637635.db2.gz GYSRJRCWUBPMOB-UHFFFAOYSA-N 2 2 252.362 0.843 20 0 CCADLP COCCn1cc(C[N@@H+](C)C2(C[NH3+])CCC2)cn1 ZINC000414779012 389637640 /nfs/dbraw/zinc/63/76/40/389637640.db2.gz GYSRJRCWUBPMOB-UHFFFAOYSA-N 2 2 252.362 0.843 20 0 CCADLP CCC[NH2+]CC[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000414864469 389641696 /nfs/dbraw/zinc/64/16/96/389641696.db2.gz CSAGEJUPELUSTR-UHFFFAOYSA-N 2 2 275.352 0.872 20 0 CCADLP COCC[NH2+]CC[NH2+][C@@H](C)Cc1cccc(OC)n1 ZINC000414866246 389641962 /nfs/dbraw/zinc/64/19/62/389641962.db2.gz ABEUHNAROUOQLR-LBPRGKRZSA-N 2 2 267.373 0.847 20 0 CCADLP CCc1nn(C)c(CC)c1C[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414966205 389648715 /nfs/dbraw/zinc/64/87/15/389648715.db2.gz OCVMJLWLTCPGLD-GFCCVEGCSA-N 2 2 279.432 0.538 20 0 CCADLP CCOC(=O)C1CCC([NH2+]CC[NH2+]CCOC)CC1 ZINC000414882001 389642267 /nfs/dbraw/zinc/64/22/67/389642267.db2.gz LCQIJYWAYHONOB-UHFFFAOYSA-N 2 2 272.389 0.934 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@H]([NH3+])C2CCC2)CCO1 ZINC000423369542 389574632 /nfs/dbraw/zinc/57/46/32/389574632.db2.gz FBIDYEZJBHECKJ-GFCCVEGCSA-N 2 2 269.389 0.341 20 0 CCADLP COCC1(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)CC[NH2+]CC1 ZINC000423410221 389581136 /nfs/dbraw/zinc/58/11/36/389581136.db2.gz RMLABHKKBUIRMY-OLZOCXBDSA-N 3 2 255.406 0.542 20 0 CCADLP COCC1(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CC[NH2+]CC1 ZINC000423410221 389581138 /nfs/dbraw/zinc/58/11/38/389581138.db2.gz RMLABHKKBUIRMY-OLZOCXBDSA-N 3 2 255.406 0.542 20 0 CCADLP Cc1ccc(CCC[NH2+]CC(=O)N2CCOCC2)c[nH+]1 ZINC000351474386 389584808 /nfs/dbraw/zinc/58/48/08/389584808.db2.gz ZEEGEWZRCNUGNL-UHFFFAOYSA-N 2 2 277.368 0.771 20 0 CCADLP COCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000423425993 389584833 /nfs/dbraw/zinc/58/48/33/389584833.db2.gz DZBLAQVEEALSBO-QLFBSQMISA-N 3 2 267.417 0.685 20 0 CCADLP COCC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000423425993 389584838 /nfs/dbraw/zinc/58/48/38/389584838.db2.gz DZBLAQVEEALSBO-QLFBSQMISA-N 3 2 267.417 0.685 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H]1[C@H](O)C(F)(F)F)C1CC1 ZINC000351494266 389593597 /nfs/dbraw/zinc/59/35/97/389593597.db2.gz XRYVBBVIKZORBC-TUAOUCFPSA-N 2 2 296.333 0.829 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F)C1CC1 ZINC000351494266 389593600 /nfs/dbraw/zinc/59/36/00/389593600.db2.gz XRYVBBVIKZORBC-TUAOUCFPSA-N 2 2 296.333 0.829 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F)C1CC1 ZINC000351494266 389593604 /nfs/dbraw/zinc/59/36/04/389593604.db2.gz XRYVBBVIKZORBC-TUAOUCFPSA-N 2 2 296.333 0.829 20 0 CCADLP O=C1NCC[C@H]1[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000178309215 389602002 /nfs/dbraw/zinc/60/20/02/389602002.db2.gz BSCVSACIQJHUAU-CHWSQXEVSA-N 2 2 251.374 0.683 20 0 CCADLP O=C1NCC[C@H]1[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000178309215 389602004 /nfs/dbraw/zinc/60/20/04/389602004.db2.gz BSCVSACIQJHUAU-CHWSQXEVSA-N 2 2 251.374 0.683 20 0 CCADLP COC(=O)[C@@H]1CC12CC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)CC2 ZINC000351520724 389603293 /nfs/dbraw/zinc/60/32/93/389603293.db2.gz SMLDVUFGESZTKX-KBPBESRZSA-N 2 2 296.411 0.717 20 0 CCADLP COC(=O)[C@@H]1CC12CC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)CC2 ZINC000351520724 389603296 /nfs/dbraw/zinc/60/32/96/389603296.db2.gz SMLDVUFGESZTKX-KBPBESRZSA-N 2 2 296.411 0.717 20 0 CCADLP COC[C@]1(C[NH2+]Cc2c[nH]c(C(=O)OC)c2)CCC[NH2+]1 ZINC000414941211 389646574 /nfs/dbraw/zinc/64/65/74/389646574.db2.gz ISKBWXRUEWYHQQ-CQSZACIVSA-N 2 2 281.356 0.660 20 0 CCADLP CC[NH2+][C@H](C)C[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000414950044 389646606 /nfs/dbraw/zinc/64/66/06/389646606.db2.gz FTBHJGZKPDXETN-LLVKDONJSA-N 2 2 275.352 0.870 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375764593 389710185 /nfs/dbraw/zinc/71/01/85/389710185.db2.gz RJQBDANVSCBDSY-YIONKMFJSA-N 3 2 294.443 0.317 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375764593 389710189 /nfs/dbraw/zinc/71/01/89/389710189.db2.gz RJQBDANVSCBDSY-YIONKMFJSA-N 3 2 294.443 0.317 20 0 CCADLP C[NH+](CC(=O)N1CC[NH+](C)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375764593 389710192 /nfs/dbraw/zinc/71/01/92/389710192.db2.gz RJQBDANVSCBDSY-YIONKMFJSA-N 3 2 294.443 0.317 20 0 CCADLP C[NH+](CC(=O)N1CC[NH+](C)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375764593 389710196 /nfs/dbraw/zinc/71/01/96/389710196.db2.gz RJQBDANVSCBDSY-YIONKMFJSA-N 3 2 294.443 0.317 20 0 CCADLP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1csnn1 ZINC000351915970 389713621 /nfs/dbraw/zinc/71/36/21/389713621.db2.gz UKYQMPWFLUPNLB-NSHDSACASA-N 2 2 269.418 0.654 20 0 CCADLP COCCOc1ccc(C[NH2+]C[C@H]2C[NH2+]CCN2C)cc1 ZINC000414972336 389649282 /nfs/dbraw/zinc/64/92/82/389649282.db2.gz XPPZDNHCUWKHSC-OAHLLOKOSA-N 2 2 293.411 0.705 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1ccnn1-c1ccccc1 ZINC000414970308 389649385 /nfs/dbraw/zinc/64/93/85/389649385.db2.gz GKMYQTVQNIFTFP-MRXNPFEDSA-N 2 2 285.395 0.866 20 0 CCADLP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(N(C)CCOC)nc1 ZINC000414988894 389652246 /nfs/dbraw/zinc/65/22/46/389652246.db2.gz MOAFJQJGCLSTBK-CYBMUJFWSA-N 2 2 266.389 0.991 20 0 CCADLP COc1cc(OC)c(OC)cc1C[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415097630 389658761 /nfs/dbraw/zinc/65/87/61/389658761.db2.gz TZDNSCOORGRWKI-GFCCVEGCSA-N 2 2 296.367 0.790 20 0 CCADLP Cc1cccc2ncc(C[NH2+]C[C@@H]3C[NH2+]CCO3)n21 ZINC000415099110 389659640 /nfs/dbraw/zinc/65/96/40/389659640.db2.gz XTEMYHWNRXOBNS-ZDUSSCGKSA-N 2 2 260.341 0.721 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000415386406 389679965 /nfs/dbraw/zinc/67/99/65/389679965.db2.gz PCKJXCZSGDDZFY-VIFPVBQESA-N 2 2 258.272 0.916 20 0 CCADLP O=C1CCC[C@@H]1[C@@H]1COCC[N@@H+]1CCn1cc[nH+]c1 ZINC000375535966 389685808 /nfs/dbraw/zinc/68/58/08/389685808.db2.gz SBINMIKOFLIOIR-OLZOCXBDSA-N 2 2 263.341 0.953 20 0 CCADLP O=C1CCC[C@@H]1[C@@H]1COCC[N@H+]1CCn1cc[nH+]c1 ZINC000375535966 389685809 /nfs/dbraw/zinc/68/58/09/389685809.db2.gz SBINMIKOFLIOIR-OLZOCXBDSA-N 2 2 263.341 0.953 20 0 CCADLP CCOC1CC(C[NH+]2CCN(C(=O)C[NH+](C)C)CC2)C1 ZINC000351846047 389697108 /nfs/dbraw/zinc/69/71/08/389697108.db2.gz ZEZAJEDAJGRSSA-UHFFFAOYSA-N 2 2 283.416 0.507 20 0 CCADLP CC[C@@H](C(=O)N1CC[NH+](C[C@H](C)O)CC1)[NH+](CC)CC ZINC000428516044 389703921 /nfs/dbraw/zinc/70/39/21/389703921.db2.gz PUAFHTIRWQPWAZ-KBPBESRZSA-N 2 2 285.432 0.632 20 0 CCADLP Cc1ccc(NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)c(C)[nH+]1 ZINC000415873229 389706744 /nfs/dbraw/zinc/70/67/44/389706744.db2.gz UMGSRBFZLZIQGH-LBPRGKRZSA-N 2 2 290.367 0.895 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCSC[C@@H](C)C1 ZINC000379462170 389761405 /nfs/dbraw/zinc/76/14/05/389761405.db2.gz CIOLQNBZCBAOEL-QWHCGFSZSA-N 2 2 276.446 0.610 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCSC[C@@H](C)C1 ZINC000379462170 389761409 /nfs/dbraw/zinc/76/14/09/389761409.db2.gz CIOLQNBZCBAOEL-QWHCGFSZSA-N 2 2 276.446 0.610 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCSC[C@@H](C)C1 ZINC000379462170 389761411 /nfs/dbraw/zinc/76/14/11/389761411.db2.gz CIOLQNBZCBAOEL-QWHCGFSZSA-N 2 2 276.446 0.610 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCSC[C@@H](C)C1 ZINC000379462170 389761415 /nfs/dbraw/zinc/76/14/15/389761415.db2.gz CIOLQNBZCBAOEL-QWHCGFSZSA-N 2 2 276.446 0.610 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCN1CC=CCC1 ZINC000392289500 389774677 /nfs/dbraw/zinc/77/46/77/389774677.db2.gz INBSQCXVSIFDNI-UONOGXRCSA-N 2 2 253.390 0.605 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)NCC[N@H+]1CC=CCC1 ZINC000392289500 389774678 /nfs/dbraw/zinc/77/46/78/389774678.db2.gz INBSQCXVSIFDNI-UONOGXRCSA-N 2 2 253.390 0.605 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)NCC[N@@H+]1CC=CCC1 ZINC000392289500 389774680 /nfs/dbraw/zinc/77/46/80/389774680.db2.gz INBSQCXVSIFDNI-UONOGXRCSA-N 2 2 253.390 0.605 20 0 CCADLP C[C@@H](NC(=O)NCCc1cn2ccccc2[nH+]1)[C@H](C)[NH3+] ZINC000416945799 389783427 /nfs/dbraw/zinc/78/34/27/389783427.db2.gz NKSSPIIMAIDTIV-WDEREUQCSA-N 2 2 275.356 0.912 20 0 CCADLP C[C@H]([NH3+])[C@H](C)NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000416945798 389783430 /nfs/dbraw/zinc/78/34/30/389783430.db2.gz NKSSPIIMAIDTIV-QWRGUYRKSA-N 2 2 275.356 0.912 20 0 CCADLP C[C@H](O)C[C@H](C)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000398582209 389783789 /nfs/dbraw/zinc/78/37/89/389783789.db2.gz MNIQJPZQNZQRQT-QWRGUYRKSA-N 2 2 254.378 0.983 20 0 CCADLP C[C@@H](CNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000417001649 389788263 /nfs/dbraw/zinc/78/82/63/389788263.db2.gz FBMMZFMLJJLMKZ-RDBSUJKOSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@H](CC[NH3+])NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000417003300 389788420 /nfs/dbraw/zinc/78/84/20/389788420.db2.gz GZXZLCOJOYMPQA-SNVBAGLBSA-N 2 2 265.361 0.684 20 0 CCADLP C[C@@H](NC(=O)NCc1ccc[nH+]c1N(C)C)[C@H](C)[NH3+] ZINC000417008443 389788969 /nfs/dbraw/zinc/78/89/69/389788969.db2.gz ISFPUKACSQBBIF-VHSXEESVSA-N 2 2 265.361 0.683 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000417020399 389790153 /nfs/dbraw/zinc/79/01/53/389790153.db2.gz SAUCMLOQQOEONP-NSHDSACASA-N 2 2 279.388 0.802 20 0 CCADLP CC[NH2+]CCNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000417024007 389790581 /nfs/dbraw/zinc/79/05/81/389790581.db2.gz WRHHGNNKCSEGHE-UHFFFAOYSA-N 2 2 265.361 0.556 20 0 CCADLP C[C@@H](C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000352326769 389791147 /nfs/dbraw/zinc/79/11/47/389791147.db2.gz NNMCMEFHOCDISK-LSDHHAIUSA-N 2 2 295.427 0.651 20 0 CCADLP C[C@H](C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000352326766 389791293 /nfs/dbraw/zinc/79/12/93/389791293.db2.gz NNMCMEFHOCDISK-CABCVRRESA-N 2 2 295.427 0.651 20 0 CCADLP COCC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H]1CCO[C@@H]1C ZINC000352355597 389796401 /nfs/dbraw/zinc/79/64/01/389796401.db2.gz CYURCLLUUOMLGP-BPLDGKMQSA-N 2 2 286.416 0.567 20 0 CCADLP COCC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H]1CCO[C@@H]1C ZINC000352355597 389796405 /nfs/dbraw/zinc/79/64/05/389796405.db2.gz CYURCLLUUOMLGP-BPLDGKMQSA-N 2 2 286.416 0.567 20 0 CCADLP COCC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@@H]1CCO[C@@H]1C ZINC000352355597 389796408 /nfs/dbraw/zinc/79/64/08/389796408.db2.gz CYURCLLUUOMLGP-BPLDGKMQSA-N 2 2 286.416 0.567 20 0 CCADLP COCC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCO[C@@H]1C ZINC000352355597 389796411 /nfs/dbraw/zinc/79/64/11/389796411.db2.gz CYURCLLUUOMLGP-BPLDGKMQSA-N 2 2 286.416 0.567 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)CC(C)(C)C[NH3+] ZINC000416434787 389742549 /nfs/dbraw/zinc/74/25/49/389742549.db2.gz WKYNPPDGRABNNM-NSHDSACASA-N 2 2 267.377 0.898 20 0 CCADLP C[C@H](C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)[NH+]1CCOCC1 ZINC000429191656 389744262 /nfs/dbraw/zinc/74/42/62/389744262.db2.gz XTNWHDGICBNEGR-YNEHKIRRSA-N 2 2 269.389 0.293 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000416441456 389744588 /nfs/dbraw/zinc/74/45/88/389744588.db2.gz VKFUGBQBAPCRTQ-TUAOUCFPSA-N 2 2 265.361 0.569 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)NCC(F)(F)C[NH3+] ZINC000417165010 389801211 /nfs/dbraw/zinc/80/12/11/389801211.db2.gz VJPHMOFMQMSZDL-UHFFFAOYSA-N 2 2 275.303 0.475 20 0 CCADLP C[C@@H]1CCC[N@H+](CCCN2C(=O)NC(C)(C)C2=O)[C@@H]1C[NH3+] ZINC000430568152 389808289 /nfs/dbraw/zinc/80/82/89/389808289.db2.gz FNTARLSEJGGIFT-VXGBXAGGSA-N 2 2 296.415 0.766 20 0 CCADLP C[C@@H]1CCC[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)[C@@H]1C[NH3+] ZINC000430568152 389808292 /nfs/dbraw/zinc/80/82/92/389808292.db2.gz FNTARLSEJGGIFT-VXGBXAGGSA-N 2 2 296.415 0.766 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000430600265 389811545 /nfs/dbraw/zinc/81/15/45/389811545.db2.gz GYRVHTNNEMTXET-NSHDSACASA-N 2 2 275.356 0.454 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000430600265 389811548 /nfs/dbraw/zinc/81/15/48/389811548.db2.gz GYRVHTNNEMTXET-NSHDSACASA-N 2 2 275.356 0.454 20 0 CCADLP CC(C)(C[NH3+])NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000417410701 389813246 /nfs/dbraw/zinc/81/32/46/389813246.db2.gz CCYUZEQHHHKORQ-UHFFFAOYSA-N 2 2 272.393 0.134 20 0 CCADLP CC(C)(C[NH3+])NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000417410701 389813249 /nfs/dbraw/zinc/81/32/49/389813249.db2.gz CCYUZEQHHHKORQ-UHFFFAOYSA-N 2 2 272.393 0.134 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC[C@H]2CCCO2)C1 ZINC000430637965 389814904 /nfs/dbraw/zinc/81/49/04/389814904.db2.gz DXFWMNGKGCNDKC-HZSPNIEDSA-N 2 2 283.416 0.602 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC[C@H]2CCCO2)C1 ZINC000430637965 389814906 /nfs/dbraw/zinc/81/49/06/389814906.db2.gz DXFWMNGKGCNDKC-HZSPNIEDSA-N 2 2 283.416 0.602 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)NC[C@@H]2CCC[NH2+]2)CCO1 ZINC000417425867 389815005 /nfs/dbraw/zinc/81/50/05/389815005.db2.gz MCPPSHXWALLUGK-LBPRGKRZSA-N 2 2 284.404 0.148 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)NC[C@@H]2CCC[NH2+]2)CCO1 ZINC000417425867 389815007 /nfs/dbraw/zinc/81/50/07/389815007.db2.gz MCPPSHXWALLUGK-LBPRGKRZSA-N 2 2 284.404 0.148 20 0 CCADLP Cn1cc(N2CCC[C@@H]([N@@H+]3CCC[C@@H](C[NH3+])C3)C2=O)cn1 ZINC000430659370 389817235 /nfs/dbraw/zinc/81/72/35/389817235.db2.gz ZNHYTRUSPOGDCG-GXTWGEPZSA-N 2 2 291.399 0.586 20 0 CCADLP Cn1cc(N2CCC[C@@H]([N@H+]3CCC[C@@H](C[NH3+])C3)C2=O)cn1 ZINC000430659370 389817237 /nfs/dbraw/zinc/81/72/37/389817237.db2.gz ZNHYTRUSPOGDCG-GXTWGEPZSA-N 2 2 291.399 0.586 20 0 CCADLP O=C(COC1C[NH2+]C1)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000430710352 389819486 /nfs/dbraw/zinc/81/94/86/389819486.db2.gz APSUUZNRFRDESG-UHFFFAOYSA-N 2 2 286.335 0.477 20 0 CCADLP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000417502680 389821526 /nfs/dbraw/zinc/82/15/26/389821526.db2.gz JWVFHLYRTDCNKW-STQMWFEESA-N 2 2 298.431 0.394 20 0 CCADLP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000417502680 389821528 /nfs/dbraw/zinc/82/15/28/389821528.db2.gz JWVFHLYRTDCNKW-STQMWFEESA-N 2 2 298.431 0.394 20 0 CCADLP O=C(NCc1ccc[nH+]c1N1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000430748935 389822096 /nfs/dbraw/zinc/82/20/96/389822096.db2.gz SFUJYEDHYHMMJN-ZDUSSCGKSA-N 2 2 290.367 0.144 20 0 CCADLP CC(C)(C)CCNC(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352512361 389822317 /nfs/dbraw/zinc/82/23/17/389822317.db2.gz XAHWRDLNPRACDI-CQSZACIVSA-N 2 2 296.459 0.518 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2CC[NH3+])n(C)n1 ZINC000352518156 389824151 /nfs/dbraw/zinc/82/41/51/389824151.db2.gz HIULEJWSTFXOIP-GFCCVEGCSA-N 2 2 279.388 0.870 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2CC[NH3+])n(C)n1 ZINC000352518156 389824154 /nfs/dbraw/zinc/82/41/54/389824154.db2.gz HIULEJWSTFXOIP-GFCCVEGCSA-N 2 2 279.388 0.870 20 0 CCADLP COCC[NH2+]CC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000430773157 389824483 /nfs/dbraw/zinc/82/44/83/389824483.db2.gz QSXPFDSETOMZQU-UHFFFAOYSA-N 2 2 266.345 0.352 20 0 CCADLP COCC[NH2+]CC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000430773157 389824485 /nfs/dbraw/zinc/82/44/85/389824485.db2.gz QSXPFDSETOMZQU-UHFFFAOYSA-N 2 2 266.345 0.352 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N1CC[NH2+][C@H](C)[C@H]1C)[NH+]1CCOCC1 ZINC000417521307 389826233 /nfs/dbraw/zinc/82/62/33/389826233.db2.gz PEIZQYUPJHTVSL-XJFOESAGSA-N 2 2 298.431 0.487 20 0 CCADLP CCC([NH3+])(CC)CNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000417525136 389827184 /nfs/dbraw/zinc/82/71/84/389827184.db2.gz LBEVJHXBKYGMEY-GFCCVEGCSA-N 2 2 286.420 0.524 20 0 CCADLP CCC([NH3+])(CC)CNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000417525136 389827188 /nfs/dbraw/zinc/82/71/88/389827188.db2.gz LBEVJHXBKYGMEY-GFCCVEGCSA-N 2 2 286.420 0.524 20 0 CCADLP C[NH2+]C[C@H]1CCCN1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000417534107 389828161 /nfs/dbraw/zinc/82/81/61/389828161.db2.gz YMEIUVYEUGAOPE-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP C[NH2+]C[C@H]1CCCN1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000417534107 389828162 /nfs/dbraw/zinc/82/81/62/389828162.db2.gz YMEIUVYEUGAOPE-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP O=C(COC1C[NH2+]C1)NCc1[nH+]ccn1CC(F)(F)F ZINC000430892315 389832362 /nfs/dbraw/zinc/83/23/62/389832362.db2.gz CUXSBIHGKBJEEZ-UHFFFAOYSA-N 2 2 292.261 0.050 20 0 CCADLP [NH3+][C@H]1CC[C@H](C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000431002716 389843442 /nfs/dbraw/zinc/84/34/42/389843442.db2.gz NRBRWFHOLGSNQR-RYUDHWBXSA-N 2 2 277.372 0.181 20 0 CCADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)C[NH2+]CC2CC2)no1 ZINC000431042785 389847482 /nfs/dbraw/zinc/84/74/82/389847482.db2.gz LEAJYLQNWWZYSH-UHFFFAOYSA-N 2 2 295.387 0.482 20 0 CCADLP COCC[NH2+]CC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000431045779 389847928 /nfs/dbraw/zinc/84/79/28/389847928.db2.gz AIZXSVPJNTZWCW-UHFFFAOYSA-N 2 2 276.340 0.495 20 0 CCADLP C[C@H]([NH3+])CN1CC[NH+](CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000442660731 389853804 /nfs/dbraw/zinc/85/38/04/389853804.db2.gz MMLQCUQZKCOYIE-KFWWJZLASA-N 2 2 296.459 0.456 20 0 CCADLP C[C@H]([NH3+])CN1CC[NH+](CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000442660732 389854113 /nfs/dbraw/zinc/85/41/13/389854113.db2.gz MMLQCUQZKCOYIE-KKUMJFAQSA-N 2 2 296.459 0.456 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000417829750 389854133 /nfs/dbraw/zinc/85/41/33/389854133.db2.gz ITDUFPTXQNFAJP-HBNTYKKESA-N 2 2 275.343 0.736 20 0 CCADLP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000444179599 389895427 /nfs/dbraw/zinc/89/54/27/389895427.db2.gz ZQGBOVOQSWMGSP-OFQRWUPVSA-N 2 2 293.411 0.309 20 0 CCADLP O=C([C@H]1C[C@]12CC[NH2+]C2)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000444269938 389898904 /nfs/dbraw/zinc/89/89/04/389898904.db2.gz PCINFRAQKRYGJU-DOMZBBRYSA-N 2 2 289.383 0.054 20 0 CCADLP CC(C)[C@@H](C[NH3+])C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000433158729 389902480 /nfs/dbraw/zinc/90/24/80/389902480.db2.gz QBBKSUBEJMNXMM-VXGBXAGGSA-N 2 2 257.378 0.054 20 0 CCADLP COC[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)[C@H]1CCCO1 ZINC000419738083 389910044 /nfs/dbraw/zinc/91/00/44/389910044.db2.gz YVTPFIKFEKDSTI-QWHCGFSZSA-N 2 2 282.388 0.770 20 0 CCADLP C[N@H+](CC(=O)NCc1cccnc1)[C@@H]1CCC[NH2+]CC1 ZINC000435620738 389959436 /nfs/dbraw/zinc/95/94/36/389959436.db2.gz FMTJDXIVXHYOBH-CQSZACIVSA-N 2 2 276.384 0.772 20 0 CCADLP C[N@@H+](CC(=O)NCc1cccnc1)[C@@H]1CCC[NH2+]CC1 ZINC000435620738 389959437 /nfs/dbraw/zinc/95/94/37/389959437.db2.gz FMTJDXIVXHYOBH-CQSZACIVSA-N 2 2 276.384 0.772 20 0 CCADLP Cc1nc(N2CC[C@H](C)C[C@@H]2C[NH3+])nc(N(C)C)[nH+]1 ZINC000420266091 389975325 /nfs/dbraw/zinc/97/53/25/389975325.db2.gz WQXUFGUNKHCDTF-GXSJLCMTSA-N 2 2 264.377 0.810 20 0 CCADLP [NH3+]C[C@H]1CCC[N@@H+]1CCc1nnnn1-c1ccccc1 ZINC000433492734 389916240 /nfs/dbraw/zinc/91/62/40/389916240.db2.gz GNELWJNDCPTOKU-CYBMUJFWSA-N 2 2 272.356 0.628 20 0 CCADLP [NH3+]C[C@H]1CCC[N@H+]1CCc1nnnn1-c1ccccc1 ZINC000433492734 389916242 /nfs/dbraw/zinc/91/62/42/389916242.db2.gz GNELWJNDCPTOKU-CYBMUJFWSA-N 2 2 272.356 0.628 20 0 CCADLP CC[N@H+](C)CCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434464279 389935316 /nfs/dbraw/zinc/93/53/16/389935316.db2.gz AFXQYWCEJKYKPV-UHFFFAOYSA-N 2 2 284.404 0.102 20 0 CCADLP CC[N@@H+](C)CCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434464279 389935318 /nfs/dbraw/zinc/93/53/18/389935318.db2.gz AFXQYWCEJKYKPV-UHFFFAOYSA-N 2 2 284.404 0.102 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000440624585 390041661 /nfs/dbraw/zinc/04/16/61/390041661.db2.gz MCBJCTKRHCMRSX-JTQLQIEISA-N 2 2 278.278 0.585 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000440624585 390041663 /nfs/dbraw/zinc/04/16/63/390041663.db2.gz MCBJCTKRHCMRSX-JTQLQIEISA-N 2 2 278.278 0.585 20 0 CCADLP Cc1ccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)c(C)n1 ZINC000420284287 389977793 /nfs/dbraw/zinc/97/77/93/389977793.db2.gz CVDQJGGFQBMYRM-UHFFFAOYSA-N 2 2 276.384 0.562 20 0 CCADLP Cc1ccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c(C)n1 ZINC000420284287 389977794 /nfs/dbraw/zinc/97/77/94/389977794.db2.gz CVDQJGGFQBMYRM-UHFFFAOYSA-N 2 2 276.384 0.562 20 0 CCADLP CCOC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328910 389983919 /nfs/dbraw/zinc/98/39/19/389983919.db2.gz NLHPHLRTZNTHME-VXGBXAGGSA-N 2 2 270.373 0.625 20 0 CCADLP CCOC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328910 389983920 /nfs/dbraw/zinc/98/39/20/389983920.db2.gz NLHPHLRTZNTHME-VXGBXAGGSA-N 2 2 270.373 0.625 20 0 CCADLP COc1ccc([C@H](C[NH3+])C[N@H+](C)CC(=O)NC2CC2)cc1 ZINC000420325096 389984114 /nfs/dbraw/zinc/98/41/14/389984114.db2.gz WGGKGVXNWJKTGL-CYBMUJFWSA-N 2 2 291.395 0.948 20 0 CCADLP COc1ccc([C@H](C[NH3+])C[N@@H+](C)CC(=O)NC2CC2)cc1 ZINC000420325096 389984116 /nfs/dbraw/zinc/98/41/16/389984116.db2.gz WGGKGVXNWJKTGL-CYBMUJFWSA-N 2 2 291.395 0.948 20 0 CCADLP C[C@@H]1CC[N@H+](CCCN2C(=O)NC(C)(C)C2=O)[C@@H](C[NH3+])C1 ZINC000420326451 389984328 /nfs/dbraw/zinc/98/43/28/389984328.db2.gz CHJOSTYQBKRVQF-VXGBXAGGSA-N 2 2 296.415 0.766 20 0 CCADLP C[C@@H]1CC[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)[C@@H](C[NH3+])C1 ZINC000420326451 389984330 /nfs/dbraw/zinc/98/43/30/389984330.db2.gz CHJOSTYQBKRVQF-VXGBXAGGSA-N 2 2 296.415 0.766 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)C2CC([NH3+])C2)CC1 ZINC000420331295 389984648 /nfs/dbraw/zinc/98/46/48/389984648.db2.gz MDTYFUKKAPRNCM-UHFFFAOYSA-N 3 2 282.432 0.397 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)C2CC([NH3+])C2)CC1 ZINC000420331295 389984650 /nfs/dbraw/zinc/98/46/50/389984650.db2.gz MDTYFUKKAPRNCM-UHFFFAOYSA-N 3 2 282.432 0.397 20 0 CCADLP CC(C)N1CCC[C@H]([N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1=O ZINC000420332648 389984754 /nfs/dbraw/zinc/98/47/54/389984754.db2.gz DLRUQNMEFQIDIM-AGIUHOORSA-N 2 2 251.374 0.680 20 0 CCADLP CC(C)N1CCC[C@H]([N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)C1=O ZINC000420332648 389984757 /nfs/dbraw/zinc/98/47/57/389984757.db2.gz DLRUQNMEFQIDIM-AGIUHOORSA-N 2 2 251.374 0.680 20 0 CCADLP CCCCNC(=O)CC[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420346996 389987467 /nfs/dbraw/zinc/98/74/67/389987467.db2.gz ZRPGPHQCPCLYFE-QWHCGFSZSA-N 2 2 253.390 0.977 20 0 CCADLP CCCCNC(=O)CC[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420346996 389987469 /nfs/dbraw/zinc/98/74/69/389987469.db2.gz ZRPGPHQCPCLYFE-QWHCGFSZSA-N 2 2 253.390 0.977 20 0 CCADLP C[N@@H+](CC(=O)N[C@@H]1CCCc2ccccc21)C[C@@H](O)C[NH3+] ZINC000420348931 389987944 /nfs/dbraw/zinc/98/79/44/389987944.db2.gz BFDFPGRZHLLAQN-DZGCQCFKSA-N 2 2 291.395 0.432 20 0 CCADLP C[N@H+](CC(=O)N[C@@H]1CCCc2ccccc21)C[C@@H](O)C[NH3+] ZINC000420348931 389987947 /nfs/dbraw/zinc/98/79/47/389987947.db2.gz BFDFPGRZHLLAQN-DZGCQCFKSA-N 2 2 291.395 0.432 20 0 CCADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420351722 389988891 /nfs/dbraw/zinc/98/88/91/389988891.db2.gz KRAMZHBIFYGBIS-SKDRFNHKSA-N 2 2 285.775 0.918 20 0 CCADLP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420351722 389988894 /nfs/dbraw/zinc/98/88/94/389988894.db2.gz KRAMZHBIFYGBIS-SKDRFNHKSA-N 2 2 285.775 0.918 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420353136 389989631 /nfs/dbraw/zinc/98/96/31/389989631.db2.gz AGOONJBEIYYAEA-CHWFTXMASA-N 2 2 270.377 0.197 20 0 CCADLP [NH3+]C[C@H]([NH2+]CC(=O)NC(=O)NC1CC1)C1CCCCC1 ZINC000420355274 389990121 /nfs/dbraw/zinc/99/01/21/389990121.db2.gz FCIHQSAVLQUBKJ-LBPRGKRZSA-N 2 2 282.388 0.472 20 0 CCADLP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@@H](C)[NH3+])CC1 ZINC000420360720 389991377 /nfs/dbraw/zinc/99/13/77/389991377.db2.gz MBSQRRSBTMTQGN-CQSZACIVSA-N 3 2 298.475 0.894 20 0 CCADLP CCOC(=O)[C@@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000420361317 389992155 /nfs/dbraw/zinc/99/21/55/389992155.db2.gz NFLNJYSLPFUIFB-ZDUSSCGKSA-N 2 2 269.389 0.309 20 0 CCADLP CCOCCNC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420366761 389992906 /nfs/dbraw/zinc/99/29/06/389992906.db2.gz MFSZPWBLLVFAKY-CYBMUJFWSA-N 2 2 271.405 0.636 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)[C@@H](C)O1 ZINC000449396927 389993704 /nfs/dbraw/zinc/99/37/04/389993704.db2.gz NLRQMKVWICCLIU-MQYQWHSLSA-N 2 2 256.390 0.989 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2CCO)[C@@H](C)O1 ZINC000449396927 389993705 /nfs/dbraw/zinc/99/37/05/389993705.db2.gz NLRQMKVWICCLIU-MQYQWHSLSA-N 2 2 256.390 0.989 20 0 CCADLP COCCCNC(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420375262 389994493 /nfs/dbraw/zinc/99/44/93/389994493.db2.gz ODEVZPNUMMZUIK-CQSZACIVSA-N 2 2 269.389 0.215 20 0 CCADLP COCCCNC(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420375262 389994495 /nfs/dbraw/zinc/99/44/95/389994495.db2.gz ODEVZPNUMMZUIK-CQSZACIVSA-N 2 2 269.389 0.215 20 0 CCADLP C[C@H](C(=O)NCc1ccccc1)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420391540 389996083 /nfs/dbraw/zinc/99/60/83/389996083.db2.gz OMFHPHZBDLQMSL-HIFRSBDPSA-N 2 2 291.395 0.741 20 0 CCADLP C[C@H](C(=O)NCc1ccccc1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420391540 389996085 /nfs/dbraw/zinc/99/60/85/389996085.db2.gz OMFHPHZBDLQMSL-HIFRSBDPSA-N 2 2 291.395 0.741 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](OC)[C@H](C)C2)CC1 ZINC000451551341 390002805 /nfs/dbraw/zinc/00/28/05/390002805.db2.gz WEWHFMUUYRTLIT-QLFBSQMISA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](OC)[C@H](C)C2)CC1 ZINC000451551341 390002806 /nfs/dbraw/zinc/00/28/06/390002806.db2.gz WEWHFMUUYRTLIT-QLFBSQMISA-N 2 2 297.443 0.896 20 0 CCADLP CN(C)C(=O)N[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000452004885 390006037 /nfs/dbraw/zinc/00/60/37/390006037.db2.gz BVYAGUXPXAQULJ-TZMCWYRMSA-N 2 2 298.431 0.177 20 0 CCADLP CN(C)C(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000452004885 390006038 /nfs/dbraw/zinc/00/60/38/390006038.db2.gz BVYAGUXPXAQULJ-TZMCWYRMSA-N 2 2 298.431 0.177 20 0 CCADLP CN(C)C(=O)N[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000452004885 390006039 /nfs/dbraw/zinc/00/60/39/390006039.db2.gz BVYAGUXPXAQULJ-TZMCWYRMSA-N 2 2 298.431 0.177 20 0 CCADLP CN(C)C(=O)N[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000452004885 390006040 /nfs/dbraw/zinc/00/60/40/390006040.db2.gz BVYAGUXPXAQULJ-TZMCWYRMSA-N 2 2 298.431 0.177 20 0 CCADLP CC[C@H](Cn1cncn1)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000453268052 390009888 /nfs/dbraw/zinc/00/98/88/390009888.db2.gz PTBYDXFUSDPNRV-ZIAGYGMSSA-N 2 2 281.404 0.493 20 0 CCADLP CC[C@H](Cn1cncn1)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000453268052 390009891 /nfs/dbraw/zinc/00/98/91/390009891.db2.gz PTBYDXFUSDPNRV-ZIAGYGMSSA-N 2 2 281.404 0.493 20 0 CCADLP CN(C[C@H]1CCC[N@@H+]1C)c1cc(N2CCOCC2)[nH+]cn1 ZINC000420637961 390019545 /nfs/dbraw/zinc/01/95/45/390019545.db2.gz PTDYEVQHTPVGAP-CYBMUJFWSA-N 2 2 291.399 0.844 20 0 CCADLP CN(C[C@H]1CCC[N@H+]1C)c1cc(N2CCOCC2)[nH+]cn1 ZINC000420637961 390019547 /nfs/dbraw/zinc/01/95/47/390019547.db2.gz PTDYEVQHTPVGAP-CYBMUJFWSA-N 2 2 291.399 0.844 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493122217 390119087 /nfs/dbraw/zinc/11/90/87/390119087.db2.gz BKYTZAPISZKRCP-ONEGZZNKSA-N 2 2 278.356 0.650 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493122217 390119088 /nfs/dbraw/zinc/11/90/88/390119088.db2.gz BKYTZAPISZKRCP-ONEGZZNKSA-N 2 2 278.356 0.650 20 0 CCADLP CC(C)[C@H]1CN(CCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000488031535 390091313 /nfs/dbraw/zinc/09/13/13/390091313.db2.gz LJOPFKXUVAPQLM-OAHLLOKOSA-N 2 2 269.433 0.981 20 0 CCADLP CC(C)[C@H]1CN(CCC[NH+]2CCOCC2)CC[N@H+]1C ZINC000488031535 390091314 /nfs/dbraw/zinc/09/13/14/390091314.db2.gz LJOPFKXUVAPQLM-OAHLLOKOSA-N 2 2 269.433 0.981 20 0 CCADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)C=Cc3c[nH]c[nH+]3)C2)C1 ZINC000493148584 390119517 /nfs/dbraw/zinc/11/95/17/390119517.db2.gz JEZXDTHCSCOHJW-PYLYLYNFSA-N 2 2 260.341 0.977 20 0 CCADLP C[N@H+]1CC[C@@]2(CCN(C(=O)C=Cc3c[nH]c[nH+]3)C2)C1 ZINC000493148584 390119518 /nfs/dbraw/zinc/11/95/18/390119518.db2.gz JEZXDTHCSCOHJW-PYLYLYNFSA-N 2 2 260.341 0.977 20 0 CCADLP CC[C@H](O)CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000489904904 390102689 /nfs/dbraw/zinc/10/26/89/390102689.db2.gz ABVSHINLHUPAMJ-ZDUSSCGKSA-N 2 2 286.420 0.083 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC000457714817 390048687 /nfs/dbraw/zinc/04/86/87/390048687.db2.gz DGRNHGQQXPBWQD-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCc1cn(C)c[nH+]1 ZINC000457863736 390050835 /nfs/dbraw/zinc/05/08/35/390050835.db2.gz SOGSXAJJQIGSPS-RYUDHWBXSA-N 2 2 264.373 0.952 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458757699 390062976 /nfs/dbraw/zinc/06/29/76/390062976.db2.gz LCNXMUPLLXGOLS-RWMBFGLXSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000458757699 390062977 /nfs/dbraw/zinc/06/29/77/390062977.db2.gz LCNXMUPLLXGOLS-RWMBFGLXSA-N 2 2 284.404 0.099 20 0 CCADLP O[C@@H](C[NH2+]Cc1cncc(F)c1)C[NH+]1CCCC1 ZINC000494563193 390181226 /nfs/dbraw/zinc/18/12/26/390181226.db2.gz SLHDKVMCNWPPBK-ZDUSSCGKSA-N 2 2 253.321 0.767 20 0 CCADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1nnc2n1CCCCC2 ZINC000647836166 390186677 /nfs/dbraw/zinc/18/66/77/390186677.db2.gz FTCDZZPNPVLVHF-UHFFFAOYSA-N 2 2 292.431 0.342 20 0 CCADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1nnc2n1CCCCC2 ZINC000647836166 390186680 /nfs/dbraw/zinc/18/66/80/390186680.db2.gz FTCDZZPNPVLVHF-UHFFFAOYSA-N 2 2 292.431 0.342 20 0 CCADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)/C=C/c3[nH]cc[nH+]3)[C@@H]2C1 ZINC000493252578 390121722 /nfs/dbraw/zinc/12/17/22/390121722.db2.gz KEICPJQBLCRXNT-RUULKOMLSA-N 2 2 260.341 0.976 20 0 CCADLP C[N@H+]1C[C@@H]2CCCN(C(=O)/C=C/c3[nH]cc[nH+]3)[C@@H]2C1 ZINC000493252578 390121723 /nfs/dbraw/zinc/12/17/23/390121723.db2.gz KEICPJQBLCRXNT-RUULKOMLSA-N 2 2 260.341 0.976 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493448279 390125894 /nfs/dbraw/zinc/12/58/94/390125894.db2.gz ICPBTHIMVAEWOT-PCAWENJQSA-N 2 2 278.356 0.338 20 0 CCADLP C[C@@H]1C[N@H+](CCNc2cc(NCC3CC3)[nH+]cn2)CCO1 ZINC000534609074 390129675 /nfs/dbraw/zinc/12/96/75/390129675.db2.gz NPXBDMJJCCUJBD-GFCCVEGCSA-N 2 2 291.399 0.853 20 0 CCADLP C[C@@H]1C[N@@H+](CCNc2cc(NCC3CC3)[nH+]cn2)CCO1 ZINC000534609074 390129679 /nfs/dbraw/zinc/12/96/79/390129679.db2.gz NPXBDMJJCCUJBD-GFCCVEGCSA-N 2 2 291.399 0.853 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)c2[nH]cc[nH+]2)C1 ZINC000579024685 390137068 /nfs/dbraw/zinc/13/70/68/390137068.db2.gz SHKDVMUINAMQMP-NXEZZACHSA-N 2 2 252.318 0.308 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)c2[nH]cc[nH+]2)C1 ZINC000579024685 390137070 /nfs/dbraw/zinc/13/70/70/390137070.db2.gz SHKDVMUINAMQMP-NXEZZACHSA-N 2 2 252.318 0.308 20 0 CCADLP [NH3+][C@@H](C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1)c1cscn1 ZINC000644135866 390142365 /nfs/dbraw/zinc/14/23/65/390142365.db2.gz TVELGGASUACHTR-IQJOONFLSA-N 2 2 268.386 0.777 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535316595 390142611 /nfs/dbraw/zinc/14/26/11/390142611.db2.gz LRANKFMVLBEGFM-LLVKDONJSA-N 2 2 286.401 0.149 20 0 CCADLP CCS(=O)(=O)NCC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535316595 390142617 /nfs/dbraw/zinc/14/26/17/390142617.db2.gz LRANKFMVLBEGFM-LLVKDONJSA-N 2 2 286.401 0.149 20 0 CCADLP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000579211206 390150905 /nfs/dbraw/zinc/15/09/05/390150905.db2.gz XCBOXCZPQBQIRT-STQMWFEESA-N 3 2 285.436 0.001 20 0 CCADLP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000579211206 390150908 /nfs/dbraw/zinc/15/09/08/390150908.db2.gz XCBOXCZPQBQIRT-STQMWFEESA-N 3 2 285.436 0.001 20 0 CCADLP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](C)C[C@@H]2C[NH3+])C1 ZINC000579211028 390151239 /nfs/dbraw/zinc/15/12/39/390151239.db2.gz FDEQWZSUNYUKCQ-KGLIPLIRSA-N 3 2 297.447 0.003 20 0 CCADLP CCC[N@H+]1CC[C@H](CNC(=O)N2CC[NH+](C)C[C@@H]2C[NH3+])C1 ZINC000579211028 390151240 /nfs/dbraw/zinc/15/12/40/390151240.db2.gz FDEQWZSUNYUKCQ-KGLIPLIRSA-N 3 2 297.447 0.003 20 0 CCADLP CCC[NH+]1CC[C@H](CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000579211028 390151241 /nfs/dbraw/zinc/15/12/41/390151241.db2.gz FDEQWZSUNYUKCQ-KGLIPLIRSA-N 3 2 297.447 0.003 20 0 CCADLP CCC[NH+]1CC[C@H](CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000579211028 390151242 /nfs/dbraw/zinc/15/12/42/390151242.db2.gz FDEQWZSUNYUKCQ-KGLIPLIRSA-N 3 2 297.447 0.003 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000579224318 390151962 /nfs/dbraw/zinc/15/19/62/390151962.db2.gz AXEFFXAVYKIIST-CAOSSQGBSA-N 2 2 299.459 0.483 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000579224318 390151966 /nfs/dbraw/zinc/15/19/66/390151966.db2.gz AXEFFXAVYKIIST-CAOSSQGBSA-N 2 2 299.459 0.483 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)NCC(F)(F)F)C1 ZINC000536068707 390157005 /nfs/dbraw/zinc/15/70/05/390157005.db2.gz KKKWCTMWSICVQK-SECBINFHSA-N 2 2 290.289 0.888 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)NCC(F)(F)F)C1 ZINC000536068707 390157007 /nfs/dbraw/zinc/15/70/07/390157007.db2.gz KKKWCTMWSICVQK-SECBINFHSA-N 2 2 290.289 0.888 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](CO)c1ccsc1 ZINC000579254200 390157832 /nfs/dbraw/zinc/15/78/32/390157832.db2.gz ALNYMFKSBZQRMC-VXGBXAGGSA-N 2 2 258.387 0.684 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](CO)c1ccsc1 ZINC000579254200 390157836 /nfs/dbraw/zinc/15/78/36/390157836.db2.gz ALNYMFKSBZQRMC-VXGBXAGGSA-N 2 2 258.387 0.684 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](CO)c1ccccc1OC ZINC000579370723 390167368 /nfs/dbraw/zinc/16/73/68/390167368.db2.gz QFBHAEBQCZCGMS-GXTWGEPZSA-N 2 2 282.384 0.631 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](CO)c1ccccc1OC ZINC000579370723 390167372 /nfs/dbraw/zinc/16/73/72/390167372.db2.gz QFBHAEBQCZCGMS-GXTWGEPZSA-N 2 2 282.384 0.631 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCc1ncn(C)n1 ZINC000647801267 390176612 /nfs/dbraw/zinc/17/66/12/390176612.db2.gz TVGSOISTHVJWJQ-RYUDHWBXSA-N 2 2 267.377 0.104 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+][C@@H]2CCCC[C@H]2O)C[C@H](C)O1 ZINC000579712821 390200797 /nfs/dbraw/zinc/20/07/97/390200797.db2.gz WVBWIEMTGFIFOZ-XPABHHOTSA-N 2 2 286.416 0.350 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+][C@@H]2CCCC[C@H]2O)C[C@H](C)O1 ZINC000579712821 390200801 /nfs/dbraw/zinc/20/08/01/390200801.db2.gz WVBWIEMTGFIFOZ-XPABHHOTSA-N 2 2 286.416 0.350 20 0 CCADLP Cc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c(C)[nH]1 ZINC000647872639 390201565 /nfs/dbraw/zinc/20/15/65/390201565.db2.gz LGVXNBWIEXSUFQ-LLVKDONJSA-N 2 2 250.346 0.346 20 0 CCADLP Cc1cc(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c(C)[nH]1 ZINC000647872639 390201567 /nfs/dbraw/zinc/20/15/67/390201567.db2.gz LGVXNBWIEXSUFQ-LLVKDONJSA-N 2 2 250.346 0.346 20 0 CCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000647874418 390202496 /nfs/dbraw/zinc/20/24/96/390202496.db2.gz UHCZQEMQUNPPMH-CHWSQXEVSA-N 3 2 293.415 0.498 20 0 CCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000647874418 390202497 /nfs/dbraw/zinc/20/24/97/390202497.db2.gz UHCZQEMQUNPPMH-CHWSQXEVSA-N 3 2 293.415 0.498 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)c2nnnn2C2CC2)C1 ZINC000647906692 390213565 /nfs/dbraw/zinc/21/35/65/390213565.db2.gz LIAQRJBIOKAHNS-GUBZILKMSA-N 2 2 250.350 0.738 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)c2nnnn2C2CC2)C1 ZINC000647906692 390213570 /nfs/dbraw/zinc/21/35/70/390213570.db2.gz LIAQRJBIOKAHNS-GUBZILKMSA-N 2 2 250.350 0.738 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000647907938 390213795 /nfs/dbraw/zinc/21/37/95/390213795.db2.gz VIPRWJJXQKPEPA-GARJFASQSA-N 3 2 279.388 0.823 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000647907938 390213798 /nfs/dbraw/zinc/21/37/98/390213798.db2.gz VIPRWJJXQKPEPA-GARJFASQSA-N 3 2 279.388 0.823 20 0 CCADLP CN1CCN(C)[C@@H](C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000647908980 390214384 /nfs/dbraw/zinc/21/43/84/390214384.db2.gz CPUQKFZELILEAC-HNNXBMFYSA-N 2 2 298.475 0.057 20 0 CCADLP CC(C)c1noc(CCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])n1 ZINC000580071914 390217158 /nfs/dbraw/zinc/21/71/58/390217158.db2.gz SHNKZUPBPGDRGE-NSHDSACASA-N 2 2 295.387 0.227 20 0 CCADLP CC(C)c1noc(CCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])n1 ZINC000580071914 390217159 /nfs/dbraw/zinc/21/71/59/390217159.db2.gz SHNKZUPBPGDRGE-NSHDSACASA-N 2 2 295.387 0.227 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)C1CC1 ZINC000580074196 390217707 /nfs/dbraw/zinc/21/77/07/390217707.db2.gz IFHKYFNRDVBVTF-MRVWCRGKSA-N 2 2 288.432 0.189 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)C1CC1 ZINC000580074196 390217710 /nfs/dbraw/zinc/21/77/10/390217710.db2.gz IFHKYFNRDVBVTF-MRVWCRGKSA-N 2 2 288.432 0.189 20 0 CCADLP C[C@H]1CN(C(=O)C[NH+]2CCC(C)([NH3+])CC2)C[C@H](C)O1 ZINC000647927719 390220048 /nfs/dbraw/zinc/22/00/48/390220048.db2.gz BGULDLBZWMGKTP-RYUDHWBXSA-N 2 2 269.389 0.435 20 0 CCADLP C[NH+]1CCN(CCCNC(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000580092976 390220364 /nfs/dbraw/zinc/22/03/64/390220364.db2.gz WASPJGHTUJDSSW-UHFFFAOYSA-N 2 2 282.432 0.082 20 0 CCADLP CN1CC[NH+](CCCNC(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000580092976 390220368 /nfs/dbraw/zinc/22/03/68/390220368.db2.gz WASPJGHTUJDSSW-UHFFFAOYSA-N 2 2 282.432 0.082 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)NCC2CCC2)CC[C@@H]1[NH3+] ZINC000647937256 390223333 /nfs/dbraw/zinc/22/33/33/390223333.db2.gz UOUQTOWAHJCFIW-OLZOCXBDSA-N 2 2 253.390 0.962 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)NCC2CCC2)CC[C@@H]1[NH3+] ZINC000647937256 390223337 /nfs/dbraw/zinc/22/33/37/390223337.db2.gz UOUQTOWAHJCFIW-OLZOCXBDSA-N 2 2 253.390 0.962 20 0 CCADLP O=C(Cn1c[nH+]c2c1CCCC2)NCc1[nH]cc[nH+]1 ZINC000540882025 390225567 /nfs/dbraw/zinc/22/55/67/390225567.db2.gz BNWFHVNJRCPJSI-UHFFFAOYSA-N 2 2 259.313 0.801 20 0 CCADLP O=c1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)nc2cc[nH]n21 ZINC000647956702 390226968 /nfs/dbraw/zinc/22/69/68/390226968.db2.gz ZLDBUOXEEAYZSS-HNNXBMFYSA-N 2 2 287.367 0.598 20 0 CCADLP O=c1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)nc2cc[nH]n21 ZINC000647956702 390226971 /nfs/dbraw/zinc/22/69/71/390226971.db2.gz ZLDBUOXEEAYZSS-HNNXBMFYSA-N 2 2 287.367 0.598 20 0 CCADLP CCCCNC(=O)CC[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000647865717 390198631 /nfs/dbraw/zinc/19/86/31/390198631.db2.gz RGVKZZWIHMABGG-NWDGAFQWSA-N 2 2 257.378 0.341 20 0 CCADLP CCCCNC(=O)CC[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000647865717 390198635 /nfs/dbraw/zinc/19/86/35/390198635.db2.gz RGVKZZWIHMABGG-NWDGAFQWSA-N 2 2 257.378 0.341 20 0 CCADLP CCO[C@H](CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C(C)C ZINC000580324111 390238745 /nfs/dbraw/zinc/23/87/45/390238745.db2.gz ZXYICPPJLSVEJJ-CHWSQXEVSA-N 2 2 271.405 0.539 20 0 CCADLP CCO[C@H](CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C(C)C ZINC000580324111 390238749 /nfs/dbraw/zinc/23/87/49/390238749.db2.gz ZXYICPPJLSVEJJ-CHWSQXEVSA-N 2 2 271.405 0.539 20 0 CCADLP CN(C)C(=O)C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644513504 390241281 /nfs/dbraw/zinc/24/12/81/390241281.db2.gz XLBQAEZFHNAETC-CQSZACIVSA-N 2 2 279.384 0.157 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](O)[C@@H]2CCCO2)n1C ZINC000527759219 285366129 /nfs/dbraw/zinc/36/61/29/285366129.db2.gz ZYGUGHIQABNCBN-NEPJUHHUSA-N 2 2 268.361 0.116 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC000580396455 390243378 /nfs/dbraw/zinc/24/33/78/390243378.db2.gz FFINVTWJVSBLTQ-CQSZACIVSA-N 2 2 285.432 0.536 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC000580396455 390243382 /nfs/dbraw/zinc/24/33/82/390243382.db2.gz FFINVTWJVSBLTQ-CQSZACIVSA-N 2 2 285.432 0.536 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCc2cscn2)C[C@H](C)O1 ZINC000580769302 390247800 /nfs/dbraw/zinc/24/78/00/390247800.db2.gz KUEJEZUDNOUHDE-MBNYWOFBSA-N 2 2 299.440 0.745 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCc2cscn2)C[C@H](C)O1 ZINC000580769302 390247803 /nfs/dbraw/zinc/24/78/03/390247803.db2.gz KUEJEZUDNOUHDE-MBNYWOFBSA-N 2 2 299.440 0.745 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N(C)CCC[NH+](C)C ZINC000541822902 390248046 /nfs/dbraw/zinc/24/80/46/390248046.db2.gz VTRCFVZXVQMYQM-CYBMUJFWSA-N 2 2 286.420 0.300 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N(C)CCC[NH+](C)C ZINC000541822902 390248048 /nfs/dbraw/zinc/24/80/48/390248048.db2.gz VTRCFVZXVQMYQM-CYBMUJFWSA-N 2 2 286.420 0.300 20 0 CCADLP COC1CC[NH+](CC[NH2+][C@@H]2CCC(=O)NC2(C)C)CC1 ZINC000644536694 390248861 /nfs/dbraw/zinc/24/88/61/390248861.db2.gz JUKRLDVPYSQYJO-CYBMUJFWSA-N 2 2 283.416 0.744 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1CNC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000644559508 390253132 /nfs/dbraw/zinc/25/31/32/390253132.db2.gz ANHSDEJCRUUBMF-JKSUJKDBSA-N 2 2 298.475 0.059 20 0 CCADLP CC[N@H+]1CCCC[C@H]1CNC[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000644559508 390253135 /nfs/dbraw/zinc/25/31/35/390253135.db2.gz ANHSDEJCRUUBMF-JKSUJKDBSA-N 2 2 298.475 0.059 20 0 CCADLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)C(=O)N(C)C ZINC000644562706 390253929 /nfs/dbraw/zinc/25/39/29/390253929.db2.gz JZKZODKMKQIKLM-ZFWWWQNUSA-N 2 2 293.411 0.546 20 0 CCADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)C(=O)N(C)C ZINC000644562706 390253931 /nfs/dbraw/zinc/25/39/31/390253931.db2.gz JZKZODKMKQIKLM-ZFWWWQNUSA-N 2 2 293.411 0.546 20 0 CCADLP Cc1cnc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)s1 ZINC000644577140 390257327 /nfs/dbraw/zinc/25/73/27/390257327.db2.gz CDIBLAVOJJCFBH-GFCCVEGCSA-N 2 2 284.429 0.149 20 0 CCADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000648039756 390260577 /nfs/dbraw/zinc/26/05/77/390260577.db2.gz SVQGJNQROZIOKN-KGLIPLIRSA-N 2 2 293.415 0.361 20 0 CCADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000648039756 390260579 /nfs/dbraw/zinc/26/05/79/390260579.db2.gz SVQGJNQROZIOKN-KGLIPLIRSA-N 2 2 293.415 0.361 20 0 CCADLP COC(=O)c1ccc(C[N@H+](CCO)C2CC[NH+](C)CC2)[nH]1 ZINC000542857263 390274369 /nfs/dbraw/zinc/27/43/69/390274369.db2.gz RYDQDGFHXPLITO-UHFFFAOYSA-N 2 2 295.383 0.690 20 0 CCADLP COC(=O)c1ccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)[nH]1 ZINC000542857263 390274375 /nfs/dbraw/zinc/27/43/75/390274375.db2.gz RYDQDGFHXPLITO-UHFFFAOYSA-N 2 2 295.383 0.690 20 0 CCADLP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCCC2(F)F)CC1 ZINC000644648065 390276286 /nfs/dbraw/zinc/27/62/86/390276286.db2.gz YQGICINBIUURTR-VXGBXAGGSA-N 2 2 277.359 0.372 20 0 CCADLP COc1cc(F)c(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1OC ZINC000583326566 390285184 /nfs/dbraw/zinc/28/51/84/390285184.db2.gz DXTLXDRCTWAQGC-OAHLLOKOSA-N 2 2 298.358 0.999 20 0 CCADLP COc1cc(F)c(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1OC ZINC000583326566 390285185 /nfs/dbraw/zinc/28/51/85/390285185.db2.gz DXTLXDRCTWAQGC-OAHLLOKOSA-N 2 2 298.358 0.999 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H](N2CCCC2=O)C1)C1CC1 ZINC000583781125 390311155 /nfs/dbraw/zinc/31/11/55/390311155.db2.gz RJYNZPYYVLNEPQ-CABCVRRESA-N 2 2 295.427 0.528 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H](N2CCCC2=O)C1)C1CC1 ZINC000583781125 390311157 /nfs/dbraw/zinc/31/11/57/390311157.db2.gz RJYNZPYYVLNEPQ-CABCVRRESA-N 2 2 295.427 0.528 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H](N2CCCC2=O)C1)C1CC1 ZINC000583781125 390311159 /nfs/dbraw/zinc/31/11/59/390311159.db2.gz RJYNZPYYVLNEPQ-CABCVRRESA-N 2 2 295.427 0.528 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H](N2CCCC2=O)C1)C1CC1 ZINC000583781125 390311163 /nfs/dbraw/zinc/31/11/63/390311163.db2.gz RJYNZPYYVLNEPQ-CABCVRRESA-N 2 2 295.427 0.528 20 0 CCADLP [NH3+]CCCCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000584350000 390337299 /nfs/dbraw/zinc/33/72/99/390337299.db2.gz GJEDKIQNDBPTSE-UHFFFAOYSA-N 2 2 259.313 0.736 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCOC[C@@H]2CCOC2)n1C ZINC000644902333 390342626 /nfs/dbraw/zinc/34/26/26/390342626.db2.gz SIEZUNWBXBGSSW-GFCCVEGCSA-N 2 2 282.388 0.629 20 0 CCADLP Cc1cccc2[nH+]c(CCNC(=O)C3([NH3+])CC3)cn21 ZINC000648211008 390342785 /nfs/dbraw/zinc/34/27/85/390342785.db2.gz HHUBWWYJHGZTHS-UHFFFAOYSA-N 2 2 258.325 0.793 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)CCC(=O)OC(C)(C)C ZINC000584477488 390347847 /nfs/dbraw/zinc/34/78/47/390347847.db2.gz IWGCSUNVXSOGOY-LBPRGKRZSA-N 2 2 274.405 0.963 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCC(=O)OC(C)(C)C ZINC000584477488 390347850 /nfs/dbraw/zinc/34/78/50/390347850.db2.gz IWGCSUNVXSOGOY-LBPRGKRZSA-N 2 2 274.405 0.963 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)CCC(=O)OC(C)(C)C ZINC000584477488 390347852 /nfs/dbraw/zinc/34/78/52/390347852.db2.gz IWGCSUNVXSOGOY-LBPRGKRZSA-N 2 2 274.405 0.963 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000584477488 390347857 /nfs/dbraw/zinc/34/78/57/390347857.db2.gz IWGCSUNVXSOGOY-LBPRGKRZSA-N 2 2 274.405 0.963 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000648771033 390405304 /nfs/dbraw/zinc/40/53/04/390405304.db2.gz ADENNFQSHAHPST-IGQOVBAYSA-N 2 2 283.416 0.552 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000648771033 390405306 /nfs/dbraw/zinc/40/53/06/390405306.db2.gz ADENNFQSHAHPST-IGQOVBAYSA-N 2 2 283.416 0.552 20 0 CCADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)COCC[NH3+] ZINC000645300541 390406051 /nfs/dbraw/zinc/40/60/51/390406051.db2.gz IYPNFRAINJEYMN-UHFFFAOYSA-N 2 2 290.367 0.826 20 0 CCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@@]1(C)CCCO1 ZINC000645398986 390420037 /nfs/dbraw/zinc/42/00/37/390420037.db2.gz VDHDIAZHGKKPCC-TZMCWYRMSA-N 2 2 269.389 0.308 20 0 CCADLP Cn1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000602203322 390377727 /nfs/dbraw/zinc/37/77/27/390377727.db2.gz UYAHCIZFIKGPHC-GFCCVEGCSA-N 2 2 291.399 0.318 20 0 CCADLP Cn1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000602203322 390377730 /nfs/dbraw/zinc/37/77/30/390377730.db2.gz UYAHCIZFIKGPHC-GFCCVEGCSA-N 2 2 291.399 0.318 20 0 CCADLP C[NH+]1CCN(c2cc[nH+]cc2NS(C)(=O)=O)CC1 ZINC000547496025 390378581 /nfs/dbraw/zinc/37/85/81/390378581.db2.gz LTJOXSVLFGWXJD-UHFFFAOYSA-N 2 2 270.358 0.205 20 0 CCADLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000547631103 390386779 /nfs/dbraw/zinc/38/67/79/390386779.db2.gz XEEJULXURUACNJ-RYUDHWBXSA-N 2 2 289.383 0.734 20 0 CCADLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000547631103 390386783 /nfs/dbraw/zinc/38/67/83/390386783.db2.gz XEEJULXURUACNJ-RYUDHWBXSA-N 2 2 289.383 0.734 20 0 CCADLP CC(C)(C)c1n[nH]cc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000517041226 390488134 /nfs/dbraw/zinc/48/81/34/390488134.db2.gz KDYSJKCMFKZPQD-RYUDHWBXSA-N 2 2 291.399 0.451 20 0 CCADLP CC(C)(C)c1n[nH]cc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000517041226 390488135 /nfs/dbraw/zinc/48/81/35/390488135.db2.gz KDYSJKCMFKZPQD-RYUDHWBXSA-N 2 2 291.399 0.451 20 0 CCADLP C[C@@H](C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)[NH+]1CC(C)C1 ZINC000519562189 390510207 /nfs/dbraw/zinc/51/02/07/390510207.db2.gz WUNVBKSJIMLZMD-AWEZNQCLSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@@H](C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)[NH+]1CC(C)C1 ZINC000519562189 390510209 /nfs/dbraw/zinc/51/02/09/390510209.db2.gz WUNVBKSJIMLZMD-AWEZNQCLSA-N 2 2 297.443 0.896 20 0 CCADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC000565423800 390512320 /nfs/dbraw/zinc/51/23/20/390512320.db2.gz PZTAJRLDZPRUOF-GZBFAFLISA-N 2 2 288.395 0.998 20 0 CCADLP C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC000565423800 390512324 /nfs/dbraw/zinc/51/23/24/390512324.db2.gz PZTAJRLDZPRUOF-GZBFAFLISA-N 2 2 288.395 0.998 20 0 CCADLP CC[C@H](O)C[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000566108094 390580354 /nfs/dbraw/zinc/58/03/54/390580354.db2.gz SWYSIPQRTQMUKM-AWEZNQCLSA-N 2 2 293.415 0.349 20 0 CCADLP Cc1[nH+]c2n(c1C)CCN(C(=O)[C@@H]([NH3+])C1CCC1)C2 ZINC000646044017 390583010 /nfs/dbraw/zinc/58/30/10/390583010.db2.gz BYQTUZAWPVDBSR-ZDUSSCGKSA-N 2 2 262.357 0.970 20 0 CCADLP CN(CC[NH+](C)C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000649213159 390524663 /nfs/dbraw/zinc/52/46/63/390524663.db2.gz DPLJJYDPBMJTOT-NSHDSACASA-N 2 2 250.346 0.466 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000565599118 390528847 /nfs/dbraw/zinc/52/88/47/390528847.db2.gz KQMSWBZLACVRNX-IJEWVQPXSA-N 2 2 295.427 0.746 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000565599118 390528851 /nfs/dbraw/zinc/52/88/51/390528851.db2.gz KQMSWBZLACVRNX-IJEWVQPXSA-N 2 2 295.427 0.746 20 0 CCADLP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@H]1CCC[NH2+]1 ZINC000649333514 390590262 /nfs/dbraw/zinc/59/02/62/390590262.db2.gz ZCZIFXHJENRRRV-MCIONIFRSA-N 2 2 281.400 0.498 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3([NH3+])CCC3)C2)CC1 ZINC000645977521 390556118 /nfs/dbraw/zinc/55/61/18/390556118.db2.gz FDJLMAWLHZEIKV-LBPRGKRZSA-N 3 2 280.416 0.153 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3([NH3+])CCC3)C2)CC1 ZINC000645977521 390556120 /nfs/dbraw/zinc/55/61/20/390556120.db2.gz FDJLMAWLHZEIKV-LBPRGKRZSA-N 3 2 280.416 0.153 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@](O)(CC(=O)N(C)C)C1 ZINC000643812887 390566817 /nfs/dbraw/zinc/56/68/17/390566817.db2.gz VVEVTIHUHHRFII-HNNXBMFYSA-N 2 2 294.399 0.497 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@](O)(CC(=O)N(C)C)C1 ZINC000643812887 390566818 /nfs/dbraw/zinc/56/68/18/390566818.db2.gz VVEVTIHUHHRFII-HNNXBMFYSA-N 2 2 294.399 0.497 20 0 CCADLP CC[N@H+](C)C[C@H]1CCN(c2nc[nH+]c(N)c2OC)C1 ZINC000566478148 390619547 /nfs/dbraw/zinc/61/95/47/390619547.db2.gz CVTTYQYBJXMCRR-SNVBAGLBSA-N 2 2 265.361 0.845 20 0 CCADLP CC[N@@H+](C)C[C@H]1CCN(c2nc[nH+]c(N)c2OC)C1 ZINC000566478148 390619549 /nfs/dbraw/zinc/61/95/49/390619549.db2.gz CVTTYQYBJXMCRR-SNVBAGLBSA-N 2 2 265.361 0.845 20 0 CCADLP CC[N@H+](C)C[C@H]1CCN(c2[nH+]cnc(N)c2OC)C1 ZINC000566478148 390619551 /nfs/dbraw/zinc/61/95/51/390619551.db2.gz CVTTYQYBJXMCRR-SNVBAGLBSA-N 2 2 265.361 0.845 20 0 CCADLP CC[N@@H+](C)C[C@H]1CCN(c2[nH+]cnc(N)c2OC)C1 ZINC000566478148 390619552 /nfs/dbraw/zinc/61/95/52/390619552.db2.gz CVTTYQYBJXMCRR-SNVBAGLBSA-N 2 2 265.361 0.845 20 0 CCADLP CCc1ncc(C[NH2+]C2(CCO)CC[NH+](C)CC2)cn1 ZINC000566806633 390650446 /nfs/dbraw/zinc/65/04/46/390650446.db2.gz UCXICYJGLSVMED-UHFFFAOYSA-N 2 2 278.400 0.975 20 0 CCADLP C[C@H]([NH3+])CCC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000646265080 390653747 /nfs/dbraw/zinc/65/37/47/390653747.db2.gz KRZWTRIIRWFNGB-RYUDHWBXSA-N 2 2 262.357 0.904 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CC(F)(F)C[NH3+])CC1 ZINC000566407479 390596543 /nfs/dbraw/zinc/59/65/43/390596543.db2.gz MOOKMDSBXWJUSY-UHFFFAOYSA-N 3 2 292.374 0.113 20 0 CCADLP Cc1nc2n(n1)CC[N@@H+](CCCc1c[nH+]cn1C)C2 ZINC000566413452 390597918 /nfs/dbraw/zinc/59/79/18/390597918.db2.gz FYDVDSHOKWVNSD-UHFFFAOYSA-N 2 2 260.345 0.768 20 0 CCADLP Cc1nc2n(n1)CC[N@H+](CCCc1c[nH+]cn1C)C2 ZINC000566413452 390597922 /nfs/dbraw/zinc/59/79/22/390597922.db2.gz FYDVDSHOKWVNSD-UHFFFAOYSA-N 2 2 260.345 0.768 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106625 390599541 /nfs/dbraw/zinc/59/95/41/390599541.db2.gz HASSMMAYKFROJT-UHFFFAOYSA-N 3 2 278.400 0.759 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106625 390599546 /nfs/dbraw/zinc/59/95/46/390599546.db2.gz HASSMMAYKFROJT-UHFFFAOYSA-N 3 2 278.400 0.759 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000566426587 390602986 /nfs/dbraw/zinc/60/29/86/390602986.db2.gz VAADTHDWKZPFPO-SOUVJXGZSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000566426587 390602991 /nfs/dbraw/zinc/60/29/91/390602991.db2.gz VAADTHDWKZPFPO-SOUVJXGZSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H](CN1CCOCC1)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000566426587 390602993 /nfs/dbraw/zinc/60/29/93/390602993.db2.gz VAADTHDWKZPFPO-SOUVJXGZSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H](CN1CCOCC1)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000566426587 390602996 /nfs/dbraw/zinc/60/29/96/390602996.db2.gz VAADTHDWKZPFPO-SOUVJXGZSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H](CN1CCOCC1)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000566426587 390603001 /nfs/dbraw/zinc/60/30/01/390603001.db2.gz VAADTHDWKZPFPO-SOUVJXGZSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H](CN1CCOCC1)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000566426587 390603006 /nfs/dbraw/zinc/60/30/06/390603006.db2.gz VAADTHDWKZPFPO-SOUVJXGZSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H](c1nccc(N)n1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000521455973 390608475 /nfs/dbraw/zinc/60/84/75/390608475.db2.gz YLHBTXZONFDOKY-ZDUSSCGKSA-N 2 2 292.431 0.519 20 0 CCADLP C[C@@H](c1nccc(N)n1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000521455973 390608481 /nfs/dbraw/zinc/60/84/81/390608481.db2.gz YLHBTXZONFDOKY-ZDUSSCGKSA-N 2 2 292.431 0.519 20 0 CCADLP CC(C)CNC(=O)[C@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000521527822 390609116 /nfs/dbraw/zinc/60/91/16/390609116.db2.gz MZRTXDCUSKIDPC-LBPRGKRZSA-N 2 2 279.388 0.692 20 0 CCADLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3cccnc3N)CC2)C1 ZINC000649382158 390613133 /nfs/dbraw/zinc/61/31/33/390613133.db2.gz PICYAMCDKRYQAO-HNNXBMFYSA-N 2 2 289.427 0.876 20 0 CCADLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3cccnc3N)CC2)C1 ZINC000649382158 390613139 /nfs/dbraw/zinc/61/31/39/390613139.db2.gz PICYAMCDKRYQAO-HNNXBMFYSA-N 2 2 289.427 0.876 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1(CC(N)=O)CC1 ZINC000567603854 390705779 /nfs/dbraw/zinc/70/57/79/390705779.db2.gz IXKMFGAPZFYQPZ-PWSUYJOCSA-N 2 2 251.374 0.714 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1(CC(N)=O)CC1 ZINC000567603854 390705781 /nfs/dbraw/zinc/70/57/81/390705781.db2.gz IXKMFGAPZFYQPZ-PWSUYJOCSA-N 2 2 251.374 0.714 20 0 CCADLP CCCC[C@H](C[NH3+])NC(=O)[C@H]([NH3+])c1cscn1 ZINC000646837250 390726791 /nfs/dbraw/zinc/72/67/91/390726791.db2.gz NFBFEAFQMJXAIN-PSASIEDQSA-N 2 2 256.375 0.777 20 0 CCADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)Cn1cc[nH+]c1 ZINC000571259546 390727605 /nfs/dbraw/zinc/72/76/05/390727605.db2.gz PFBJLGDTOADXLL-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)Cn1cc[nH+]c1 ZINC000571259546 390727606 /nfs/dbraw/zinc/72/76/06/390727606.db2.gz PFBJLGDTOADXLL-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]CCOC[C@H]1CCCO1)C1CC1 ZINC000571277566 390728558 /nfs/dbraw/zinc/72/85/58/390728558.db2.gz LHZDCPYZYKKJJU-UONOGXRCSA-N 2 2 272.389 0.227 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]CCOC[C@H]1CCCO1)C1CC1 ZINC000571277566 390728560 /nfs/dbraw/zinc/72/85/60/390728560.db2.gz LHZDCPYZYKKJJU-UONOGXRCSA-N 2 2 272.389 0.227 20 0 CCADLP COC[C@@H](C)C[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000525863521 390666631 /nfs/dbraw/zinc/66/66/31/390666631.db2.gz NXIGVVVZUITBCS-QWHCGFSZSA-N 2 2 294.399 0.783 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000567047554 390667460 /nfs/dbraw/zinc/66/74/60/390667460.db2.gz JLLFAVDOPJGWCQ-OLZOCXBDSA-N 2 2 298.431 0.077 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000567047554 390667463 /nfs/dbraw/zinc/66/74/63/390667463.db2.gz JLLFAVDOPJGWCQ-OLZOCXBDSA-N 2 2 298.431 0.077 20 0 CCADLP [NH3+][C@@H](C(=O)N1CCC2(CC[NH2+]C2)CC1)c1cscn1 ZINC000646372429 390674393 /nfs/dbraw/zinc/67/43/93/390674393.db2.gz JNDZFKBQEBOTTM-LLVKDONJSA-N 2 2 280.397 0.745 20 0 CCADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)CC2([NH3+])CCC2)no1 ZINC000646426346 390681116 /nfs/dbraw/zinc/68/11/16/390681116.db2.gz AROUVPFEDDIGRS-UHFFFAOYSA-N 2 2 295.387 0.754 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)[C@@H](C[NH3+])C1 ZINC000567361786 390694987 /nfs/dbraw/zinc/69/49/87/390694987.db2.gz KWKGWVAAMOHGAD-RRFJBIMHSA-N 2 2 288.395 0.827 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)[C@@H](C[NH3+])C1 ZINC000567361786 390694989 /nfs/dbraw/zinc/69/49/89/390694989.db2.gz KWKGWVAAMOHGAD-RRFJBIMHSA-N 2 2 288.395 0.827 20 0 CCADLP C[C@@H](c1nnnn1C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000567398602 390697264 /nfs/dbraw/zinc/69/72/64/390697264.db2.gz HNYDMGHZIQPTKY-VHSXEESVSA-N 2 2 261.333 0.494 20 0 CCADLP C[C@@H](c1nnnn1C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000567398602 390697267 /nfs/dbraw/zinc/69/72/67/390697267.db2.gz HNYDMGHZIQPTKY-VHSXEESVSA-N 2 2 261.333 0.494 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](CO)c1ccccc1C ZINC000572055307 390765826 /nfs/dbraw/zinc/76/58/26/390765826.db2.gz HRSMAPJAIJGKFF-ZBFHGGJFSA-N 2 2 296.411 0.557 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](CO)c1ccccc1C ZINC000572055307 390765827 /nfs/dbraw/zinc/76/58/27/390765827.db2.gz HRSMAPJAIJGKFF-ZBFHGGJFSA-N 2 2 296.411 0.557 20 0 CCADLP [NH3+][C@H](C(=O)NCCC[NH+]1CCCC1)c1cscn1 ZINC000572840029 390805956 /nfs/dbraw/zinc/80/59/56/390805956.db2.gz JDTPNGDDWKLMKS-NSHDSACASA-N 2 2 268.386 0.745 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528777947 390777096 /nfs/dbraw/zinc/77/70/96/390777096.db2.gz GPZSHLGMEYANOP-OLZOCXBDSA-N 2 2 283.397 0.843 20 0 CCADLP [NH3+]CCC1CC[NH+](Cc2cc(=O)n3[nH]ccc3n2)CC1 ZINC000572489807 390786177 /nfs/dbraw/zinc/78/61/77/390786177.db2.gz FDIQWSYYKFUVPM-UHFFFAOYSA-N 2 2 275.356 0.583 20 0 CCADLP OC[C@H]1CC[C@H]([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000571669287 390747757 /nfs/dbraw/zinc/74/77/57/390747757.db2.gz DGYGNXDEUSBGLY-NGFQHRJXSA-N 2 2 268.401 0.894 20 0 CCADLP CN(C)[C@@H](C(=O)N(C)CC[N@H+](C)C1CC1)c1c[nH+]cn1C ZINC000646959713 390748971 /nfs/dbraw/zinc/74/89/71/390748971.db2.gz DORDFUSBXWNGHD-CQSZACIVSA-N 2 2 293.415 0.575 20 0 CCADLP CN(C)[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC1)c1c[nH+]cn1C ZINC000646959713 390748972 /nfs/dbraw/zinc/74/89/72/390748972.db2.gz DORDFUSBXWNGHD-CQSZACIVSA-N 2 2 293.415 0.575 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000578404667 390881703 /nfs/dbraw/zinc/88/17/03/390881703.db2.gz ZFORMCWNCSEEAT-QLFBSQMISA-N 2 2 288.432 0.408 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000578404667 390881704 /nfs/dbraw/zinc/88/17/04/390881704.db2.gz ZFORMCWNCSEEAT-QLFBSQMISA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000578404667 390881705 /nfs/dbraw/zinc/88/17/05/390881705.db2.gz ZFORMCWNCSEEAT-QLFBSQMISA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000578404667 390881706 /nfs/dbraw/zinc/88/17/06/390881706.db2.gz ZFORMCWNCSEEAT-QLFBSQMISA-N 2 2 288.432 0.408 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000578244690 390873124 /nfs/dbraw/zinc/87/31/24/390873124.db2.gz CKJGQCHWWKHNSU-KBPBESRZSA-N 2 2 270.348 0.761 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000578244690 390873126 /nfs/dbraw/zinc/87/31/26/390873126.db2.gz CKJGQCHWWKHNSU-KBPBESRZSA-N 2 2 270.348 0.761 20 0 CCADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)[C@H](C)O ZINC000578315982 390876129 /nfs/dbraw/zinc/87/61/29/390876129.db2.gz IQIJCSVLHBTDPN-KGLIPLIRSA-N 2 2 293.415 0.348 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@@H]([NH3+])CC(F)F)CC2)cc[nH+]1 ZINC000572999369 390818407 /nfs/dbraw/zinc/81/84/07/390818407.db2.gz UACUGHJRTOTING-JTQLQIEISA-N 2 2 299.325 0.416 20 0 CCADLP C[C@@H](C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)S(C)(=O)=O ZINC000575040294 390831536 /nfs/dbraw/zinc/83/15/36/390831536.db2.gz SQNQRLTWBMCEER-OLZOCXBDSA-N 2 2 292.445 0.510 20 0 CCADLP C[C@@H](C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1)S(C)(=O)=O ZINC000575040294 390831538 /nfs/dbraw/zinc/83/15/38/390831538.db2.gz SQNQRLTWBMCEER-OLZOCXBDSA-N 2 2 292.445 0.510 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]([NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000647546775 390838898 /nfs/dbraw/zinc/83/88/98/390838898.db2.gz AUQRSQZBTVEJFE-TUAOUCFPSA-N 3 2 294.365 0.410 20 0 CCADLP C[C@@H](C(=O)N1CCCCC1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000577861503 390849308 /nfs/dbraw/zinc/84/93/08/390849308.db2.gz CBDSWRFPXIRDFV-ZDUSSCGKSA-N 2 2 291.399 0.933 20 0 CCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533866145 390886796 /nfs/dbraw/zinc/88/67/96/390886796.db2.gz QKOGRVBAIHHWSJ-WDEREUQCSA-N 2 2 250.346 0.686 20 0 CCADLP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533866145 390886798 /nfs/dbraw/zinc/88/67/98/390886798.db2.gz QKOGRVBAIHHWSJ-WDEREUQCSA-N 2 2 250.346 0.686 20 0 CCADLP [NH3+][C@H](C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cscn1 ZINC000578536684 390891049 /nfs/dbraw/zinc/89/10/49/390891049.db2.gz KTNPTGZHIGUWSU-JLLWLGSASA-N 2 2 280.397 0.886 20 0 CCADLP [NH3+][C@H](C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cscn1 ZINC000578536684 390891050 /nfs/dbraw/zinc/89/10/50/390891050.db2.gz KTNPTGZHIGUWSU-JLLWLGSASA-N 2 2 280.397 0.886 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000528432999 285404558 /nfs/dbraw/zinc/40/45/58/285404558.db2.gz JYNLATAOXBCHLC-OLZOCXBDSA-N 2 2 280.372 0.417 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493593815 533343420 /nfs/dbraw/zinc/34/34/20/533343420.db2.gz YHUZNSDKKRQXHS-ZYOFXKKJSA-N 2 2 278.356 0.650 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493593815 533343423 /nfs/dbraw/zinc/34/34/23/533343423.db2.gz YHUZNSDKKRQXHS-ZYOFXKKJSA-N 2 2 278.356 0.650 20 0 CCADLP COC(=O)[C@H]1CC12CC[NH+](CCC[NH+]1CCOCC1)CC2 ZINC000358498824 533372567 /nfs/dbraw/zinc/37/25/67/533372567.db2.gz ZFSKWZIJDUXQIO-CQSZACIVSA-N 2 2 296.411 0.984 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H](C)O)CC1 ZINC000361427392 533381450 /nfs/dbraw/zinc/38/14/50/533381450.db2.gz UEGKHMYBKUQOSX-NSHDSACASA-N 2 2 258.362 0.374 20 0 CCADLP COC(=O)CN1CCC([NH2+]CC2([NH+](C)C)CC2)CC1 ZINC000418116862 533502832 /nfs/dbraw/zinc/50/28/32/533502832.db2.gz RKIYLZAUZQMROV-UHFFFAOYSA-N 2 2 269.389 0.308 20 0 CCADLP [NH3+]CC(F)(F)CNC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000190307625 130088108 /nfs/dbraw/zinc/08/81/08/130088108.db2.gz GXEGZFBAKPXKPW-LLVKDONJSA-N 2 2 269.295 0.411 20 0 CCADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)C1C[NH2+]C1 ZINC000342117345 130274125 /nfs/dbraw/zinc/27/41/25/130274125.db2.gz FXVITRZICSCGQE-UHFFFAOYSA-N 2 2 276.262 0.623 20 0 CCADLP C[C@H]1[C@@H](NC(=O)NCC[NH+]2CCOCC2)CCC[N@@H+]1C ZINC000342209795 130385162 /nfs/dbraw/zinc/38/51/62/130385162.db2.gz WTEPKPVBIRGRRL-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H]1[C@@H](NC(=O)NCC[NH+]2CCOCC2)CCC[N@H+]1C ZINC000342209795 130385165 /nfs/dbraw/zinc/38/51/65/130385165.db2.gz WTEPKPVBIRGRRL-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP [NH3+]C1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000237924095 131065539 /nfs/dbraw/zinc/06/55/39/131065539.db2.gz CCQKGGKFAUENNM-CQSZACIVSA-N 2 2 289.379 0.495 20 0 CCADLP [NH3+]C1(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000237924095 131065542 /nfs/dbraw/zinc/06/55/42/131065542.db2.gz CCQKGGKFAUENNM-CQSZACIVSA-N 2 2 289.379 0.495 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H]1CCCC[C@H]1O ZINC000252951151 131140392 /nfs/dbraw/zinc/14/03/92/131140392.db2.gz DNKOQAPPJJIWDX-AAVRWANBSA-N 2 2 256.390 0.894 20 0 CCADLP C[NH+]1CCN(C(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000253235907 131141048 /nfs/dbraw/zinc/14/10/48/131141048.db2.gz NBINSOUKDJOQOR-YWPYICTPSA-N 2 2 281.400 0.293 20 0 CCADLP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)c(C)n1 ZINC000268888011 132083877 /nfs/dbraw/zinc/08/38/77/132083877.db2.gz JAOMBKGBAQHIKV-BXUZGUMPSA-N 2 2 277.416 0.990 20 0 CCADLP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)c(C)n1 ZINC000268888011 132083878 /nfs/dbraw/zinc/08/38/78/132083878.db2.gz JAOMBKGBAQHIKV-BXUZGUMPSA-N 2 2 277.416 0.990 20 0 CCADLP [NH3+][C@@H]1CC[C@@H](C(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000269230392 132137272 /nfs/dbraw/zinc/13/72/72/132137272.db2.gz CNKZFIJUTHYMMG-GHMZBOCLSA-N 2 2 262.357 0.963 20 0 CCADLP C[NH+](C)CCc1ccc(NC(=O)[C@H]2COCC[NH2+]2)cc1 ZINC000269254004 132143451 /nfs/dbraw/zinc/14/34/51/132143451.db2.gz RBYUSEJEOLVSNN-CQSZACIVSA-N 2 2 277.368 0.718 20 0 CCADLP OCc1ccc(F)c(C[NH2+]C2(CO)CC[NH2+]CC2)c1 ZINC000530223101 285574198 /nfs/dbraw/zinc/57/41/98/285574198.db2.gz MUIXONRFWBBEPE-UHFFFAOYSA-N 2 2 268.332 0.522 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCn3nccc32)C1 ZINC000657974310 413080257 /nfs/dbraw/zinc/08/02/57/413080257.db2.gz NBHHDJLNQNLTQJ-YPMHNXCESA-N 2 2 250.346 0.374 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCn3nccc32)C1 ZINC000657974310 413080262 /nfs/dbraw/zinc/08/02/62/413080262.db2.gz NBHHDJLNQNLTQJ-YPMHNXCESA-N 2 2 250.346 0.374 20 0 CCADLP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)N1CCOCC1 ZINC000037917642 397390256 /nfs/dbraw/zinc/39/02/56/397390256.db2.gz OSWLBZQMYSXBFU-UONOGXRCSA-N 2 2 281.400 0.309 20 0 CCADLP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)N1CCOCC1 ZINC000037917642 397390260 /nfs/dbraw/zinc/39/02/60/397390260.db2.gz OSWLBZQMYSXBFU-UONOGXRCSA-N 2 2 281.400 0.309 20 0 CCADLP C(C[NH+]1CCOCC1)C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000135569259 397415336 /nfs/dbraw/zinc/41/53/36/397415336.db2.gz JWFBZWSXTWZNEI-UONOGXRCSA-N 2 2 286.441 0.915 20 0 CCADLP C(C[NH+]1CCOCC1)C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000135569259 397415341 /nfs/dbraw/zinc/41/53/41/397415341.db2.gz JWFBZWSXTWZNEI-UONOGXRCSA-N 2 2 286.441 0.915 20 0 CCADLP C[C@@H](NC(=O)N1CCC[N@H+](C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000356555592 144014009 /nfs/dbraw/zinc/01/40/09/144014009.db2.gz WUGVKGNNWBAWLN-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H](NC(=O)N1CCC[N@@H+](C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000356555592 144014011 /nfs/dbraw/zinc/01/40/11/144014011.db2.gz WUGVKGNNWBAWLN-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)NC(C1CC1)C1CC1 ZINC000357074566 144056884 /nfs/dbraw/zinc/05/68/84/144056884.db2.gz IGUFZOQBRHUSOM-KBPBESRZSA-N 2 2 277.412 0.833 20 0 CCADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)NC(C1CC1)C1CC1 ZINC000357074566 144056885 /nfs/dbraw/zinc/05/68/85/144056885.db2.gz IGUFZOQBRHUSOM-KBPBESRZSA-N 2 2 277.412 0.833 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357085073 144058535 /nfs/dbraw/zinc/05/85/35/144058535.db2.gz QFJRZPHLACENMO-HUUCEWRRSA-N 2 2 297.443 0.707 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357085073 144058536 /nfs/dbraw/zinc/05/85/36/144058536.db2.gz QFJRZPHLACENMO-HUUCEWRRSA-N 2 2 297.443 0.707 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+](CCOCC[NH3+])CC2)c1 ZINC000357089826 144059355 /nfs/dbraw/zinc/05/93/55/144059355.db2.gz ZEAHKTZHQHUSOY-UHFFFAOYSA-N 3 2 280.372 0.188 20 0 CCADLP Cc1cc(NCCC[N@@H+]2CCNC(=O)C2)nc(C(C)C)[nH+]1 ZINC000357252682 144074563 /nfs/dbraw/zinc/07/45/63/144074563.db2.gz BBLSHURZDNMUBQ-UHFFFAOYSA-N 2 2 291.399 0.564 20 0 CCADLP Cc1cc(NCCC[N@H+]2CCNC(=O)C2)nc(C(C)C)[nH+]1 ZINC000357252682 144074564 /nfs/dbraw/zinc/07/45/64/144074564.db2.gz BBLSHURZDNMUBQ-UHFFFAOYSA-N 2 2 291.399 0.564 20 0 CCADLP C[C@@H]1[C@@H]([NH+]2CCOCC2)CCN1c1cc[nH+]c(N(C)C)n1 ZINC000357598780 144103262 /nfs/dbraw/zinc/10/32/62/144103262.db2.gz SIKHNURNUVDCBZ-OLZOCXBDSA-N 2 2 291.399 0.842 20 0 CCADLP [NH3+]C[C@H]1CN(Cc2[nH+]ccn2CC(F)(F)F)CCO1 ZINC000357971136 144138677 /nfs/dbraw/zinc/13/86/77/144138677.db2.gz SKKZFIOVABYPOZ-VIFPVBQESA-N 2 2 278.278 0.605 20 0 CCADLP c1c[nH+]c(CN2CC[NH+](CCC3CC[NH2+]CC3)CC2)[nH]1 ZINC000359217257 144203120 /nfs/dbraw/zinc/20/31/20/144203120.db2.gz KASSMFAFZRGRLI-UHFFFAOYSA-N 3 2 277.416 0.917 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccncc3)C2)CC1 ZINC000369274504 144261636 /nfs/dbraw/zinc/26/16/36/144261636.db2.gz PRZSQUUGPLAABJ-CQSZACIVSA-N 2 2 288.395 0.980 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccncc3)C2)CC1 ZINC000369274504 144261637 /nfs/dbraw/zinc/26/16/37/144261637.db2.gz PRZSQUUGPLAABJ-CQSZACIVSA-N 2 2 288.395 0.980 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc[nH]3)C2)CC1 ZINC000369274577 144261665 /nfs/dbraw/zinc/26/16/65/144261665.db2.gz QIIKAEKWYGJHLK-LBPRGKRZSA-N 2 2 276.384 0.913 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc[nH]3)C2)CC1 ZINC000369274577 144261666 /nfs/dbraw/zinc/26/16/66/144261666.db2.gz QIIKAEKWYGJHLK-LBPRGKRZSA-N 2 2 276.384 0.913 20 0 CCADLP COCCNC(=[NH2+])NCc1c[nH+]c2n1CCCC2 ZINC000370294033 144297143 /nfs/dbraw/zinc/29/71/43/144297143.db2.gz KRZRKVHMAFOFNU-UHFFFAOYSA-N 2 2 251.334 0.480 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000370657922 144311514 /nfs/dbraw/zinc/31/15/14/144311514.db2.gz LVVUPYSZKQUZCV-QWRGUYRKSA-N 2 2 273.340 0.867 20 0 CCADLP COC(=O)C1(O)CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000371465104 144332383 /nfs/dbraw/zinc/33/23/83/144332383.db2.gz ZOOJCPKHODOHGM-ZDUSSCGKSA-N 2 2 284.400 0.861 20 0 CCADLP COC(=O)C1(O)CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000371465104 144332385 /nfs/dbraw/zinc/33/23/85/144332385.db2.gz ZOOJCPKHODOHGM-ZDUSSCGKSA-N 2 2 284.400 0.861 20 0 CCADLP C[C@@H]1CC(=O)NCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000372823615 144382370 /nfs/dbraw/zinc/38/23/70/144382370.db2.gz MAMRUHXDNUNLSW-GFCCVEGCSA-N 2 2 285.351 0.978 20 0 CCADLP C[C@@H]1CC(=O)NCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000372823615 144382371 /nfs/dbraw/zinc/38/23/71/144382371.db2.gz MAMRUHXDNUNLSW-GFCCVEGCSA-N 2 2 285.351 0.978 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372992080 144388779 /nfs/dbraw/zinc/38/87/79/144388779.db2.gz WMCXMWCOZVXONL-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000372992080 144388780 /nfs/dbraw/zinc/38/87/80/144388780.db2.gz WMCXMWCOZVXONL-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP CN(C)C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373116103 144393118 /nfs/dbraw/zinc/39/31/18/144393118.db2.gz RVRNVPMPDOCXRU-LLVKDONJSA-N 2 2 250.346 0.688 20 0 CCADLP CN(C)C(=O)C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373116103 144393119 /nfs/dbraw/zinc/39/31/19/144393119.db2.gz RVRNVPMPDOCXRU-LLVKDONJSA-N 2 2 250.346 0.688 20 0 CCADLP CN(C)C(=O)C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373116104 144393373 /nfs/dbraw/zinc/39/33/73/144393373.db2.gz RVRNVPMPDOCXRU-NSHDSACASA-N 2 2 250.346 0.688 20 0 CCADLP CN(C)C(=O)C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373116104 144393375 /nfs/dbraw/zinc/39/33/75/144393375.db2.gz RVRNVPMPDOCXRU-NSHDSACASA-N 2 2 250.346 0.688 20 0 CCADLP c1c[nH+]c([C@H]2CCC[N@@H+](CCN3CC[NH2+]CC3)C2)[nH]1 ZINC000649411836 397606080 /nfs/dbraw/zinc/60/60/80/397606080.db2.gz IKWZMHYFDHJQBA-ZDUSSCGKSA-N 3 2 263.389 0.494 20 0 CCADLP c1c[nH+]c([C@H]2CCC[N@H+](CCN3CC[NH2+]CC3)C2)[nH]1 ZINC000649411836 397606081 /nfs/dbraw/zinc/60/60/81/397606081.db2.gz IKWZMHYFDHJQBA-ZDUSSCGKSA-N 3 2 263.389 0.494 20 0 CCADLP c1ccc(C[NH+]2CCN(C[C@@H]3CC[NH2+]C3)CC2)nc1 ZINC000649414473 397608712 /nfs/dbraw/zinc/60/87/12/397608712.db2.gz AIFOEFGGWLLLGN-CQSZACIVSA-N 2 2 260.385 0.809 20 0 CCADLP c1ccc(CN2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)nc1 ZINC000649414473 397608714 /nfs/dbraw/zinc/60/87/14/397608714.db2.gz AIFOEFGGWLLLGN-CQSZACIVSA-N 2 2 260.385 0.809 20 0 CCADLP Cn1ncnc1C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000649420425 397610379 /nfs/dbraw/zinc/61/03/79/397610379.db2.gz NDHFBVSYSWQNEQ-GXTWGEPZSA-N 2 2 279.388 0.533 20 0 CCADLP C[C@@H](c1ccncc1)[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649688103 397656983 /nfs/dbraw/zinc/65/69/83/397656983.db2.gz RCKOEQVLHBNICQ-ZDUSSCGKSA-N 2 2 276.384 0.848 20 0 CCADLP C[C@@H](c1ccncc1)[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649688103 397656987 /nfs/dbraw/zinc/65/69/87/397656987.db2.gz RCKOEQVLHBNICQ-ZDUSSCGKSA-N 2 2 276.384 0.848 20 0 CCADLP Cc1cc(N2CC[N@@H+](CCO)C[C@H]2C)nc(C)[nH+]1 ZINC000649566057 397636721 /nfs/dbraw/zinc/63/67/21/397636721.db2.gz WOEKBNDECPZFIW-LLVKDONJSA-N 2 2 250.346 0.596 20 0 CCADLP Cc1cc(N2CC[N@H+](CCO)C[C@H]2C)nc(C)[nH+]1 ZINC000649566057 397636722 /nfs/dbraw/zinc/63/67/22/397636722.db2.gz WOEKBNDECPZFIW-LLVKDONJSA-N 2 2 250.346 0.596 20 0 CCADLP C[C@@H](O)CNc1cc(NCCC2(C[NH3+])CC2)[nH+]cn1 ZINC000650302056 397710502 /nfs/dbraw/zinc/71/05/02/397710502.db2.gz RGTUSMLCYXCHLO-SNVBAGLBSA-N 2 2 265.361 0.232 20 0 CCADLP C[C@@H](O)CNc1cc(NCCC2(C[NH3+])CC2)nc[nH+]1 ZINC000650302056 397710503 /nfs/dbraw/zinc/71/05/03/397710503.db2.gz RGTUSMLCYXCHLO-SNVBAGLBSA-N 2 2 265.361 0.232 20 0 CCADLP CN(CC[NH+]1CCCC1)C(=O)Cc1c[nH+]cn1C ZINC000548791209 286068399 /nfs/dbraw/zinc/06/83/99/286068399.db2.gz PLTPROWQIHYHEB-UHFFFAOYSA-N 2 2 250.346 0.517 20 0 CCADLP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@@H](C)[NH+]1CCOCC1 ZINC000548798302 286069090 /nfs/dbraw/zinc/06/90/90/286069090.db2.gz WXYRXECILDBWPQ-VXGBXAGGSA-N 2 2 280.372 0.188 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](C)C(C)(C)C1)[NH+]1CCSCC1 ZINC000550118058 286103872 /nfs/dbraw/zinc/10/38/72/286103872.db2.gz ZFMXTGFVKKYIHI-LBPRGKRZSA-N 2 2 285.457 0.976 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](C)C(C)(C)C1)[NH+]1CCSCC1 ZINC000550118058 286103873 /nfs/dbraw/zinc/10/38/73/286103873.db2.gz ZFMXTGFVKKYIHI-LBPRGKRZSA-N 2 2 285.457 0.976 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000551953229 286139885 /nfs/dbraw/zinc/13/98/85/286139885.db2.gz XAQMSBRAYRLFCQ-QWHCGFSZSA-N 2 2 269.389 0.117 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000551953229 286139886 /nfs/dbraw/zinc/13/98/86/286139886.db2.gz XAQMSBRAYRLFCQ-QWHCGFSZSA-N 2 2 269.389 0.117 20 0 CCADLP C[C@@H](C(=O)NCCCC[NH+]1CCOCC1)[NH+]1CC(C)C1 ZINC000552998026 286177671 /nfs/dbraw/zinc/17/76/71/286177671.db2.gz NOYNVWICSREKSH-AWEZNQCLSA-N 2 2 283.416 0.555 20 0 CCADLP O=C(NCCC[NH+]1CCOCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000553190399 286184368 /nfs/dbraw/zinc/18/43/68/286184368.db2.gz QKJRGWOVBZVJQV-ZDUSSCGKSA-N 2 2 292.383 0.284 20 0 CCADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CC[NH+](C3CC3)CC2)C1(C)C ZINC000156986848 286305563 /nfs/dbraw/zinc/30/55/63/286305563.db2.gz VMVMYHPPADRMIE-CZUORRHYSA-N 2 2 295.427 0.826 20 0 CCADLP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000444179600 304398479 /nfs/dbraw/zinc/39/84/79/304398479.db2.gz ZQGBOVOQSWMGSP-YCPHGPKFSA-N 2 2 293.411 0.309 20 0 CCADLP COCCCNC(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420375258 292357159 /nfs/dbraw/zinc/35/71/59/292357159.db2.gz ODEVZPNUMMZUIK-AWEZNQCLSA-N 2 2 269.389 0.215 20 0 CCADLP COCCCNC(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420375258 292357160 /nfs/dbraw/zinc/35/71/60/292357160.db2.gz ODEVZPNUMMZUIK-AWEZNQCLSA-N 2 2 269.389 0.215 20 0 CCADLP C[C@@H](CC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)n1cc[nH+]c1 ZINC000659386607 413466839 /nfs/dbraw/zinc/46/68/39/413466839.db2.gz CJZBNIPYYWUWLA-HBNTYKKESA-N 2 2 254.309 0.732 20 0 CCADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(-n2cnnn2)cc1 ZINC000154368621 287031311 /nfs/dbraw/zinc/03/13/11/287031311.db2.gz WWWIHVKNKPYPLV-BXUZGUMPSA-N 2 2 290.371 0.235 20 0 CCADLP C[C@@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420403563 287159883 /nfs/dbraw/zinc/15/98/83/287159883.db2.gz LDRRXNGOCAKUKW-VWYCJHECSA-N 2 2 293.419 0.328 20 0 CCADLP C[C@@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420403563 287159884 /nfs/dbraw/zinc/15/98/84/287159884.db2.gz LDRRXNGOCAKUKW-VWYCJHECSA-N 2 2 293.419 0.328 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000284234028 196008933 /nfs/dbraw/zinc/00/89/33/196008933.db2.gz BTPXAXQNMQISGV-AORQRIRUSA-N 2 2 290.367 0.604 20 0 CCADLP C[C@@H](C1CC1)[N@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000071838166 411694166 /nfs/dbraw/zinc/69/41/66/411694166.db2.gz JIJLDEKHIYYAKV-ZDUSSCGKSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H](C1CC1)[N@@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000071838166 411694172 /nfs/dbraw/zinc/69/41/72/411694172.db2.gz JIJLDEKHIYYAKV-ZDUSSCGKSA-N 2 2 297.443 0.944 20 0 CCADLP CCC[C@@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405227101 411800614 /nfs/dbraw/zinc/80/06/14/411800614.db2.gz TXHJIWQMSLBLHH-XJFOESAGSA-N 2 2 285.432 0.975 20 0 CCADLP CCC[C@@H](C)NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405227101 411800617 /nfs/dbraw/zinc/80/06/17/411800617.db2.gz TXHJIWQMSLBLHH-XJFOESAGSA-N 2 2 285.432 0.975 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407308181 411806096 /nfs/dbraw/zinc/80/60/96/411806096.db2.gz FRJVBXHHASEYDT-RAIGVLPGSA-N 2 2 262.357 0.918 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCC1(C[NH3+])CC1 ZINC000652127940 411990381 /nfs/dbraw/zinc/99/03/81/411990381.db2.gz JKBKZYSBTGQJSV-LBPRGKRZSA-N 2 2 284.404 0.135 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](CC2=CCCOC2)CC1=O ZINC000651890509 411952866 /nfs/dbraw/zinc/95/28/66/411952866.db2.gz FYXPVINJJJRMAS-UHFFFAOYSA-N 2 2 267.373 0.039 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](CC2=CCCOC2)CC1=O ZINC000651890509 411952869 /nfs/dbraw/zinc/95/28/69/411952869.db2.gz FYXPVINJJJRMAS-UHFFFAOYSA-N 2 2 267.373 0.039 20 0 CCADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000652335795 412029804 /nfs/dbraw/zinc/02/98/04/412029804.db2.gz HHAYXKMACZELLZ-LLVKDONJSA-N 2 2 297.424 0.906 20 0 CCADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000652335795 412029808 /nfs/dbraw/zinc/02/98/08/412029808.db2.gz HHAYXKMACZELLZ-LLVKDONJSA-N 2 2 297.424 0.906 20 0 CCADLP C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352652 412036596 /nfs/dbraw/zinc/03/65/96/412036596.db2.gz JBGLZVQNKPKSMR-NHCYSSNCSA-N 2 2 250.350 0.332 20 0 CCADLP C[C@@H](c1nnnn1C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352652 412036599 /nfs/dbraw/zinc/03/65/99/412036599.db2.gz JBGLZVQNKPKSMR-NHCYSSNCSA-N 2 2 250.350 0.332 20 0 CCADLP [NH3+]CCC1CC[NH+](CC(=O)Nc2ccon2)CC1 ZINC000652359384 412038435 /nfs/dbraw/zinc/03/84/35/412038435.db2.gz PCRWTJGAUBNIAJ-UHFFFAOYSA-N 2 2 252.318 0.096 20 0 CCADLP Cn1nnnc1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652363830 412039688 /nfs/dbraw/zinc/03/96/88/412039688.db2.gz PEEOQXPPYYJZDL-QJPTWQEYSA-N 2 2 280.376 0.071 20 0 CCADLP Cn1nnnc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652363830 412039690 /nfs/dbraw/zinc/03/96/90/412039690.db2.gz PEEOQXPPYYJZDL-QJPTWQEYSA-N 2 2 280.376 0.071 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)NCc2ccccc2)C1 ZINC000020475784 171220026 /nfs/dbraw/zinc/22/00/26/171220026.db2.gz SIXJEJZMJPPDMU-AWEZNQCLSA-N 2 2 261.369 0.974 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)NCc2ccccc2)C1 ZINC000020475784 171220027 /nfs/dbraw/zinc/22/00/27/171220027.db2.gz SIXJEJZMJPPDMU-AWEZNQCLSA-N 2 2 261.369 0.974 20 0 CCADLP [NH3+]Cc1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000022166863 171366151 /nfs/dbraw/zinc/36/61/51/171366151.db2.gz OYBTYUCKMYGUFN-UHFFFAOYSA-N 2 2 263.341 0.207 20 0 CCADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653055228 412203288 /nfs/dbraw/zinc/20/32/88/412203288.db2.gz YPSDRSKGQXCODC-NEPJUHHUSA-N 3 2 258.410 0.097 20 0 CCADLP COc1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1OC ZINC000653057055 412204500 /nfs/dbraw/zinc/20/45/00/412204500.db2.gz MLERJEGDEUVWLJ-LLVKDONJSA-N 2 2 281.356 0.921 20 0 CCADLP CC(C)COCCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653061244 412204925 /nfs/dbraw/zinc/20/49/25/412204925.db2.gz HFKUTAKZUAJYBS-LBPRGKRZSA-N 2 2 259.394 0.444 20 0 CCADLP CCCc1nnc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)s1 ZINC000653060738 412205081 /nfs/dbraw/zinc/20/50/81/412205081.db2.gz PWEXCMUPALUDFU-QMMMGPOBSA-N 2 2 271.390 0.708 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCOc2ccccc2C1 ZINC000653076063 412210545 /nfs/dbraw/zinc/21/05/45/412210545.db2.gz HKKZDVANPNKLLW-CYBMUJFWSA-N 2 2 277.368 0.687 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H]1CCOc2ccccc21 ZINC000653081966 412212118 /nfs/dbraw/zinc/21/21/18/412212118.db2.gz DYHVBQCMRCCDMP-OCCSQVGLSA-N 2 2 291.395 0.948 20 0 CCADLP CC(C)C[C@@H]1COCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653089216 412213771 /nfs/dbraw/zinc/21/37/71/412213771.db2.gz AUQLBOBSVCMNOF-CHWSQXEVSA-N 2 2 271.405 0.539 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1ccc(C[NH3+])cc1F ZINC000653222870 412262151 /nfs/dbraw/zinc/26/21/51/412262151.db2.gz SLZMUGOWFBDTGB-ZDUSSCGKSA-N 3 2 282.363 0.180 20 0 CCADLP C[C@@H](COCC1CC1)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653255326 412271656 /nfs/dbraw/zinc/27/16/56/412271656.db2.gz OXPOHQUMWLLDBN-JQWIXIFHSA-N 2 2 257.378 0.197 20 0 CCADLP COC(C)(C)C[C@@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653096862 412216812 /nfs/dbraw/zinc/21/68/12/412216812.db2.gz XVHQFSJMQJVLFQ-GHMZBOCLSA-N 2 2 259.394 0.585 20 0 CCADLP Cn1cc([C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(C)(C)C)cn1 ZINC000653102427 412219091 /nfs/dbraw/zinc/21/90/91/412219091.db2.gz XYZSGNHBPVWUAR-STQMWFEESA-N 2 2 295.431 0.903 20 0 CCADLP CC1CC[NH+](CCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653107064 412220673 /nfs/dbraw/zinc/22/06/73/412220673.db2.gz WGOCLZXYNSTGTC-AWEZNQCLSA-N 3 2 284.448 0.504 20 0 CCADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653111078 412223643 /nfs/dbraw/zinc/22/36/43/412223643.db2.gz CLMDHLQBLDFKIG-WCQYABFASA-N 3 2 281.404 0.223 20 0 CCADLP C[C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C[NH+]1CCCC1 ZINC000653111112 412224669 /nfs/dbraw/zinc/22/46/69/412224669.db2.gz FDQRNKZLAOYARJ-OLZOCXBDSA-N 3 2 270.421 0.114 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[NH2+]CC2)CCO1 ZINC000653114367 412226043 /nfs/dbraw/zinc/22/60/43/412226043.db2.gz FXSYEMJOXXJWGN-CHWSQXEVSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[NH2+]CC2)CCO1 ZINC000653114367 412226047 /nfs/dbraw/zinc/22/60/47/412226047.db2.gz FXSYEMJOXXJWGN-CHWSQXEVSA-N 2 2 269.389 0.213 20 0 CCADLP CCc1cnc(CN(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C)s1 ZINC000653123313 412231865 /nfs/dbraw/zinc/23/18/65/412231865.db2.gz UVMDFTCFGPSMBW-NSHDSACASA-N 2 2 284.429 0.943 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000653123066 412232475 /nfs/dbraw/zinc/23/24/75/412232475.db2.gz MRMGJXXBHPPMDB-LSDHHAIUSA-N 3 2 296.459 0.456 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000653123066 412232477 /nfs/dbraw/zinc/23/24/77/412232477.db2.gz MRMGJXXBHPPMDB-LSDHHAIUSA-N 3 2 296.459 0.456 20 0 CCADLP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653126824 412233643 /nfs/dbraw/zinc/23/36/43/412233643.db2.gz JJSDOBTYAQLIDR-RYUDHWBXSA-N 2 2 276.384 0.958 20 0 CCADLP C[C@]1(C[NH3+])CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000653137776 412237343 /nfs/dbraw/zinc/23/73/43/412237343.db2.gz SDXJAZKSUUVONI-OAHLLOKOSA-N 2 2 276.384 0.959 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653144904 412241138 /nfs/dbraw/zinc/24/11/38/412241138.db2.gz LSCPBASHZNYMDN-ZJUUUORDSA-N 2 2 250.346 0.614 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000653148292 412241763 /nfs/dbraw/zinc/24/17/63/412241763.db2.gz VROCIGOTEPKBAT-OAHLLOKOSA-N 3 2 296.459 0.742 20 0 CCADLP COc1cc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)ccc1O ZINC000653147985 412242186 /nfs/dbraw/zinc/24/21/86/412242186.db2.gz JASFUTPBFHZSGP-NSHDSACASA-N 2 2 281.356 0.296 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1ccn(C2CCCC2)n1 ZINC000653157031 412246632 /nfs/dbraw/zinc/24/66/32/412246632.db2.gz SDOOVPCUEMNCGO-CQSZACIVSA-N 2 2 293.415 0.893 20 0 CCADLP C[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@H](O)Cc1ccccc1 ZINC000653157528 412246746 /nfs/dbraw/zinc/24/67/46/412246746.db2.gz DUIHVMHFAXQVNN-AEGPPILISA-N 2 2 293.411 0.374 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCOc2cccc(F)c2C1 ZINC000653160701 412246899 /nfs/dbraw/zinc/24/68/99/412246899.db2.gz STPBCBCYJFBKID-CYBMUJFWSA-N 2 2 295.358 0.826 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000653164721 412249737 /nfs/dbraw/zinc/24/97/37/412249737.db2.gz DNZRJBWJONJZFG-KGLIPLIRSA-N 3 2 296.459 0.502 20 0 CCADLP C[C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)CC(F)F ZINC000653167433 412249795 /nfs/dbraw/zinc/24/97/95/412249795.db2.gz UWNNSHOPCIBSOC-IUCAKERBSA-N 2 2 251.321 0.673 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@]2(CCOC2)C1 ZINC000653568511 412318864 /nfs/dbraw/zinc/31/88/64/412318864.db2.gz YTZFPNMITBOJEQ-KGLIPLIRSA-N 2 2 272.389 0.038 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@]2(CCOC2)C1 ZINC000653568511 412318867 /nfs/dbraw/zinc/31/88/67/412318867.db2.gz YTZFPNMITBOJEQ-KGLIPLIRSA-N 2 2 272.389 0.038 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000653568511 412318868 /nfs/dbraw/zinc/31/88/68/412318868.db2.gz YTZFPNMITBOJEQ-KGLIPLIRSA-N 2 2 272.389 0.038 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000653568511 412318871 /nfs/dbraw/zinc/31/88/71/412318871.db2.gz YTZFPNMITBOJEQ-KGLIPLIRSA-N 2 2 272.389 0.038 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000653564549 412319044 /nfs/dbraw/zinc/31/90/44/412319044.db2.gz BOXSYBJEIUOHGN-ZFWWWQNUSA-N 2 2 286.416 0.569 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000653564549 412319047 /nfs/dbraw/zinc/31/90/47/412319047.db2.gz BOXSYBJEIUOHGN-ZFWWWQNUSA-N 2 2 286.416 0.569 20 0 CCADLP CC(=O)N1CC[N@H+](CCCc2c[nH+]cn2C)[C@@H](C)C1 ZINC000653569943 412319253 /nfs/dbraw/zinc/31/92/53/412319253.db2.gz TVCNXMPHXGOIAK-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP CC(=O)N1CC[N@@H+](CCCc2c[nH+]cn2C)[C@@H](C)C1 ZINC000653569943 412319255 /nfs/dbraw/zinc/31/92/55/412319255.db2.gz TVCNXMPHXGOIAK-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP COC[C@H]1C[C@@H](O)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000653778605 412345048 /nfs/dbraw/zinc/34/50/48/412345048.db2.gz IIXANEKPVDEQHC-CHWSQXEVSA-N 2 2 253.346 0.434 20 0 CCADLP COC[C@H]1C[C@@H](O)C[N@H+]1CCCc1c[nH+]cn1C ZINC000653778605 412345051 /nfs/dbraw/zinc/34/50/51/412345051.db2.gz IIXANEKPVDEQHC-CHWSQXEVSA-N 2 2 253.346 0.434 20 0 CCADLP COCC[N@H+](CCn1cc[nH+]c1)C[C@@H](O)C(F)(F)F ZINC000653787686 412348230 /nfs/dbraw/zinc/34/82/30/412348230.db2.gz GEIHDEVFRPFLRX-SNVBAGLBSA-N 2 2 281.278 0.755 20 0 CCADLP COCC[N@@H+](CCn1cc[nH+]c1)C[C@@H](O)C(F)(F)F ZINC000653787686 412348232 /nfs/dbraw/zinc/34/82/32/412348232.db2.gz GEIHDEVFRPFLRX-SNVBAGLBSA-N 2 2 281.278 0.755 20 0 CCADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H](C)[N@H+]1CCO ZINC000653884722 412360026 /nfs/dbraw/zinc/36/00/26/412360026.db2.gz XBJHLPRWBGPHGA-OKILXGFUSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H](C)[N@@H+]1CCO ZINC000653884722 412360030 /nfs/dbraw/zinc/36/00/30/412360030.db2.gz XBJHLPRWBGPHGA-OKILXGFUSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000654392065 412391496 /nfs/dbraw/zinc/39/14/96/412391496.db2.gz JCYGAQKHQLEJNJ-LSDHHAIUSA-N 2 2 295.427 0.651 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000654392065 412391498 /nfs/dbraw/zinc/39/14/98/412391498.db2.gz JCYGAQKHQLEJNJ-LSDHHAIUSA-N 2 2 295.427 0.651 20 0 CCADLP C[C@H](C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1)[NH+]1CC(C)C1 ZINC000655065267 412472135 /nfs/dbraw/zinc/47/21/35/412472135.db2.gz HROXUJBNBVHKMQ-HZSPNIEDSA-N 2 2 281.400 0.258 20 0 CCADLP C[C@H](C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1)[NH+]1CC(C)C1 ZINC000655065267 412472137 /nfs/dbraw/zinc/47/21/37/412472137.db2.gz HROXUJBNBVHKMQ-HZSPNIEDSA-N 2 2 281.400 0.258 20 0 CCADLP C[C@@H](C(=O)N(C)CCCN(C)CC[NH+](C)C)[NH+]1CC(C)C1 ZINC000655082607 412474997 /nfs/dbraw/zinc/47/49/97/412474997.db2.gz GQIFFJYECQWUPM-HNNXBMFYSA-N 2 2 298.475 0.669 20 0 CCADLP CN(C)CC[N@H+](C)CCCNC(=O)C[NH+]1CC(C)(C)C1 ZINC000655082597 412475207 /nfs/dbraw/zinc/47/52/07/412475207.db2.gz DOWWFURIQSCBKS-UHFFFAOYSA-N 2 2 284.448 0.328 20 0 CCADLP CN(C)CC[N@@H+](C)CCCNC(=O)C[NH+]1CC(C)(C)C1 ZINC000655082597 412475209 /nfs/dbraw/zinc/47/52/09/412475209.db2.gz DOWWFURIQSCBKS-UHFFFAOYSA-N 2 2 284.448 0.328 20 0 CCADLP CN(CCCNC(=O)C[NH+]1CC(C)(C)C1)CC[NH+](C)C ZINC000655082597 412475210 /nfs/dbraw/zinc/47/52/10/412475210.db2.gz DOWWFURIQSCBKS-UHFFFAOYSA-N 2 2 284.448 0.328 20 0 CCADLP [NH3+]C1(CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CCCC1 ZINC000659494417 413548302 /nfs/dbraw/zinc/54/83/02/413548302.db2.gz RKUNVSCYPOLYGJ-JTQLQIEISA-N 2 2 277.372 0.838 20 0 CCADLP [NH3+]C1(CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CCCC1 ZINC000659494417 413548308 /nfs/dbraw/zinc/54/83/08/413548308.db2.gz RKUNVSCYPOLYGJ-JTQLQIEISA-N 2 2 277.372 0.838 20 0 CCADLP [NH3+]CCCNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000659512382 413575655 /nfs/dbraw/zinc/57/56/55/413575655.db2.gz NIVWTXWQJHIYFQ-UHFFFAOYSA-N 2 2 277.372 0.830 20 0 CCADLP C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCCO1)c1[nH+]ccn1C ZINC000659552189 413642848 /nfs/dbraw/zinc/64/28/48/413642848.db2.gz ZUDFKFJJUGQYKX-QWRGUYRKSA-N 2 2 281.360 0.159 20 0 CCADLP C[C@@H](CCC[NH3+])NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000659554869 413648432 /nfs/dbraw/zinc/64/84/32/413648432.db2.gz VYCIAPFYHGUUCY-UWVGGRQHSA-N 2 2 253.350 0.908 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000659642695 413747728 /nfs/dbraw/zinc/74/77/28/413747728.db2.gz YMVLPVAKOWUBFY-VIFPVBQESA-N 2 2 251.334 0.325 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000659730744 413824320 /nfs/dbraw/zinc/82/43/20/413824320.db2.gz ZBIFBGXOARUJJT-NSHDSACASA-N 2 2 278.356 0.039 20 0 CCADLP Cc1cc(CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])cc(C)[nH+]1 ZINC000659729411 413824591 /nfs/dbraw/zinc/82/45/91/413824591.db2.gz RYXBALABOOYLMY-UHFFFAOYSA-N 2 2 292.383 0.510 20 0 CCADLP CCN1OC[C@H]([N@@H+]2CC[C@H](OCC[NH+](CC)CC)C2)C1=O ZINC000659980136 414016477 /nfs/dbraw/zinc/01/64/77/414016477.db2.gz RPOVLIWENKRFOD-KBPBESRZSA-N 2 2 299.415 0.581 20 0 CCADLP CCN1OC[C@H]([N@H+]2CC[C@H](OCC[NH+](CC)CC)C2)C1=O ZINC000659980136 414016487 /nfs/dbraw/zinc/01/64/87/414016487.db2.gz RPOVLIWENKRFOD-KBPBESRZSA-N 2 2 299.415 0.581 20 0 CCADLP CCN1CC[C@H]([N@H+](C)C[C@H]2CCC[NH+](C)C2)C1=O ZINC000659948316 413993522 /nfs/dbraw/zinc/99/35/22/413993522.db2.gz PJSDTSCXQIHJJQ-STQMWFEESA-N 2 2 253.390 0.881 20 0 CCADLP CCN1CC[C@H]([N@@H+](C)C[C@H]2CCC[NH+](C)C2)C1=O ZINC000659948316 413993530 /nfs/dbraw/zinc/99/35/30/413993530.db2.gz PJSDTSCXQIHJJQ-STQMWFEESA-N 2 2 253.390 0.881 20 0 CCADLP CCN1CC[C@H]([NH+](C)C[C@H]2CCC[N@H+](C)C2)C1=O ZINC000659948316 413993538 /nfs/dbraw/zinc/99/35/38/413993538.db2.gz PJSDTSCXQIHJJQ-STQMWFEESA-N 2 2 253.390 0.881 20 0 CCADLP CCN1CC[C@H]([NH+](C)C[C@H]2CCC[N@@H+](C)C2)C1=O ZINC000659948316 413993546 /nfs/dbraw/zinc/99/35/46/413993546.db2.gz PJSDTSCXQIHJJQ-STQMWFEESA-N 2 2 253.390 0.881 20 0 CCADLP CC[NH+]1CCC([N@H+](C)CCN2C(=O)CN(C)C2=O)CC1 ZINC000659983348 414023080 /nfs/dbraw/zinc/02/30/80/414023080.db2.gz JXMGJQLOBQEGMP-UHFFFAOYSA-N 2 2 282.388 0.297 20 0 CCADLP CC[NH+]1CCC([N@@H+](C)CCN2C(=O)CN(C)C2=O)CC1 ZINC000659983348 414023091 /nfs/dbraw/zinc/02/30/91/414023091.db2.gz JXMGJQLOBQEGMP-UHFFFAOYSA-N 2 2 282.388 0.297 20 0 CCADLP Cn1c[nH+]cc1CCC[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000575135161 335071271 /nfs/dbraw/zinc/07/12/71/335071271.db2.gz UYAOIHWMZIPZFF-UHFFFAOYSA-N 2 2 276.384 0.907 20 0 CCADLP CCN1OC[C@H]([N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C1=O ZINC000660011103 414052881 /nfs/dbraw/zinc/05/28/81/414052881.db2.gz NLZTUMRMQNWXAY-AVGNSLFASA-N 2 2 267.373 0.565 20 0 CCADLP CCN1OC[C@H]([N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C1=O ZINC000660011103 414052886 /nfs/dbraw/zinc/05/28/86/414052886.db2.gz NLZTUMRMQNWXAY-AVGNSLFASA-N 2 2 267.373 0.565 20 0 CCADLP CCN1OC[C@H]([NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)C1=O ZINC000660011103 414052892 /nfs/dbraw/zinc/05/28/92/414052892.db2.gz NLZTUMRMQNWXAY-AVGNSLFASA-N 2 2 267.373 0.565 20 0 CCADLP CCN1OC[C@H]([NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)C1=O ZINC000660011103 414052899 /nfs/dbraw/zinc/05/28/99/414052899.db2.gz NLZTUMRMQNWXAY-AVGNSLFASA-N 2 2 267.373 0.565 20 0 CCADLP CCN1OC[C@H]([N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C1=O ZINC000660011111 414054035 /nfs/dbraw/zinc/05/40/35/414054035.db2.gz NLZTUMRMQNWXAY-UPJWGTAASA-N 2 2 267.373 0.565 20 0 CCADLP CCN1OC[C@H]([N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C1=O ZINC000660011111 414054044 /nfs/dbraw/zinc/05/40/44/414054044.db2.gz NLZTUMRMQNWXAY-UPJWGTAASA-N 2 2 267.373 0.565 20 0 CCADLP CCN1OC[C@H]([NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C1=O ZINC000660011111 414054055 /nfs/dbraw/zinc/05/40/55/414054055.db2.gz NLZTUMRMQNWXAY-UPJWGTAASA-N 2 2 267.373 0.565 20 0 CCADLP CCN1OC[C@H]([NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C1=O ZINC000660011111 414054064 /nfs/dbraw/zinc/05/40/64/414054064.db2.gz NLZTUMRMQNWXAY-UPJWGTAASA-N 2 2 267.373 0.565 20 0 CCADLP COCCO[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000660140285 414145515 /nfs/dbraw/zinc/14/55/15/414145515.db2.gz NIOABLFSYFZGLQ-HUUCEWRRSA-N 2 2 288.432 0.815 20 0 CCADLP COCCO[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000660140285 414145523 /nfs/dbraw/zinc/14/55/23/414145523.db2.gz NIOABLFSYFZGLQ-HUUCEWRRSA-N 2 2 288.432 0.815 20 0 CCADLP COCCO[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000660140285 414145530 /nfs/dbraw/zinc/14/55/30/414145530.db2.gz NIOABLFSYFZGLQ-HUUCEWRRSA-N 2 2 288.432 0.815 20 0 CCADLP COCCO[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000660140285 414145534 /nfs/dbraw/zinc/14/55/34/414145534.db2.gz NIOABLFSYFZGLQ-HUUCEWRRSA-N 2 2 288.432 0.815 20 0 CCADLP CCN1OC[C@H]([N@H+](C)CCCn2cc[nH+]c2C)C1=O ZINC000660116672 414121599 /nfs/dbraw/zinc/12/15/99/414121599.db2.gz JGQHTDJAXSVFOK-LBPRGKRZSA-N 2 2 266.345 0.676 20 0 CCADLP CCN1OC[C@H]([N@@H+](C)CCCn2cc[nH+]c2C)C1=O ZINC000660116672 414121603 /nfs/dbraw/zinc/12/16/03/414121603.db2.gz JGQHTDJAXSVFOK-LBPRGKRZSA-N 2 2 266.345 0.676 20 0 CCADLP CCN1CC[C@@H]([NH+]2CCN(c3[nH+]ccn3C)CC2)C1=O ZINC000660113283 414121969 /nfs/dbraw/zinc/12/19/69/414121969.db2.gz QQYNYCYJVFTNPU-GFCCVEGCSA-N 2 2 277.372 0.163 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1c1nc(=N)n(C)[nH]1 ZINC000660468901 414343465 /nfs/dbraw/zinc/34/34/65/414343465.db2.gz HOZTUMLNOMKVMW-LLVKDONJSA-N 2 2 275.360 0.570 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1c1nc(=N)n(C)[nH]1 ZINC000660468901 414343470 /nfs/dbraw/zinc/34/34/70/414343470.db2.gz HOZTUMLNOMKVMW-LLVKDONJSA-N 2 2 275.360 0.570 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660659088 414432754 /nfs/dbraw/zinc/43/27/54/414432754.db2.gz MSJJFLPNJVGRTA-OAHLLOKOSA-N 2 2 283.416 0.557 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660659088 414432760 /nfs/dbraw/zinc/43/27/60/414432760.db2.gz MSJJFLPNJVGRTA-OAHLLOKOSA-N 2 2 283.416 0.557 20 0 CCADLP CCOCCNC(=O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660659088 414432768 /nfs/dbraw/zinc/43/27/68/414432768.db2.gz MSJJFLPNJVGRTA-OAHLLOKOSA-N 2 2 283.416 0.557 20 0 CCADLP CCOCCNC(=O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660659088 414432773 /nfs/dbraw/zinc/43/27/73/414432773.db2.gz MSJJFLPNJVGRTA-OAHLLOKOSA-N 2 2 283.416 0.557 20 0 CCADLP c1cn(C[C@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)nn1 ZINC000661145567 414566654 /nfs/dbraw/zinc/56/66/54/414566654.db2.gz MAVWJFOOSLCAAU-ZDUSSCGKSA-N 2 2 260.345 0.887 20 0 CCADLP c1cn(C[C@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)nn1 ZINC000661145567 414566659 /nfs/dbraw/zinc/56/66/59/414566659.db2.gz MAVWJFOOSLCAAU-ZDUSSCGKSA-N 2 2 260.345 0.887 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCO[C@@](C)(C2CC2)C1)C1CC1 ZINC000661173534 414574865 /nfs/dbraw/zinc/57/48/65/414574865.db2.gz ZCLUXZJNSPLDOI-LSDHHAIUSA-N 2 2 268.401 0.942 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCO[C@@](C)(C2CC2)C1)C1CC1 ZINC000661173534 414574868 /nfs/dbraw/zinc/57/48/68/414574868.db2.gz ZCLUXZJNSPLDOI-LSDHHAIUSA-N 2 2 268.401 0.942 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCO[C@@](C)(C2CC2)C1)C1CC1 ZINC000661173534 414574870 /nfs/dbraw/zinc/57/48/70/414574870.db2.gz ZCLUXZJNSPLDOI-LSDHHAIUSA-N 2 2 268.401 0.942 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCO[C@@](C)(C2CC2)C1)C1CC1 ZINC000661173534 414574873 /nfs/dbraw/zinc/57/48/73/414574873.db2.gz ZCLUXZJNSPLDOI-LSDHHAIUSA-N 2 2 268.401 0.942 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCO[C@](C)(C2CC2)C1 ZINC000661173428 414574884 /nfs/dbraw/zinc/57/48/84/414574884.db2.gz XYBNJQYXAMSPFB-KBPBESRZSA-N 2 2 256.390 0.800 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCO[C@](C)(C2CC2)C1 ZINC000661173428 414574886 /nfs/dbraw/zinc/57/48/86/414574886.db2.gz XYBNJQYXAMSPFB-KBPBESRZSA-N 2 2 256.390 0.800 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661173428 414574888 /nfs/dbraw/zinc/57/48/88/414574888.db2.gz XYBNJQYXAMSPFB-KBPBESRZSA-N 2 2 256.390 0.800 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661173428 414574891 /nfs/dbraw/zinc/57/48/91/414574891.db2.gz XYBNJQYXAMSPFB-KBPBESRZSA-N 2 2 256.390 0.800 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2C[C@H](C)C(O)[C@@H](C)C2)CC1 ZINC000661623762 414656316 /nfs/dbraw/zinc/65/63/16/414656316.db2.gz NWPYXRMQIWSWQE-IHRRRGAJSA-N 2 2 297.443 0.488 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)C[C@H]1COCCO1 ZINC000661615092 414654802 /nfs/dbraw/zinc/65/48/02/414654802.db2.gz WLXILIBMEJWNOQ-STQMWFEESA-N 2 2 260.378 0.035 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@H]1COCCO1 ZINC000661615092 414654804 /nfs/dbraw/zinc/65/48/04/414654804.db2.gz WLXILIBMEJWNOQ-STQMWFEESA-N 2 2 260.378 0.035 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)C[C@H]1COCCO1 ZINC000661615092 414654806 /nfs/dbraw/zinc/65/48/06/414654806.db2.gz WLXILIBMEJWNOQ-STQMWFEESA-N 2 2 260.378 0.035 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@H]1COCCO1 ZINC000661615092 414654807 /nfs/dbraw/zinc/65/48/07/414654807.db2.gz WLXILIBMEJWNOQ-STQMWFEESA-N 2 2 260.378 0.035 20 0 CCADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662264928 414702859 /nfs/dbraw/zinc/70/28/59/414702859.db2.gz SAPFFAQGAJBVEI-GJZGRUSLSA-N 3 2 285.432 0.408 20 0 CCADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662264928 414702860 /nfs/dbraw/zinc/70/28/60/414702860.db2.gz SAPFFAQGAJBVEI-GJZGRUSLSA-N 3 2 285.432 0.408 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000662273927 414704034 /nfs/dbraw/zinc/70/40/34/414704034.db2.gz BKLUGOFEZKNYIN-KGLIPLIRSA-N 3 2 253.390 0.439 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000662278240 414704758 /nfs/dbraw/zinc/70/47/58/414704758.db2.gz ZOJWOXMSVACYCE-KGLIPLIRSA-N 2 2 254.374 0.866 20 0 CCADLP Cc1nnc([C@H](C)[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)[nH]1 ZINC000662282749 414705704 /nfs/dbraw/zinc/70/57/04/414705704.db2.gz QIYZWCOVTCMRIL-JOYOIKCWSA-N 2 2 290.375 0.561 20 0 CCADLP C[C@@H]1C[C@H](C)[N@H+](Cc2nc(N(C)C)no2)C[C@@H]1C[NH3+] ZINC000662282200 414705975 /nfs/dbraw/zinc/70/59/75/414705975.db2.gz DIQINIOFFSDFSC-VWYCJHECSA-N 2 2 267.377 0.941 20 0 CCADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2nc(N(C)C)no2)C[C@@H]1C[NH3+] ZINC000662282200 414705976 /nfs/dbraw/zinc/70/59/76/414705976.db2.gz DIQINIOFFSDFSC-VWYCJHECSA-N 2 2 267.377 0.941 20 0 CCADLP CNS(=O)(=O)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000662284968 414706127 /nfs/dbraw/zinc/70/61/27/414706127.db2.gz SLGCFBVFGQRFST-DGCLKSJQSA-N 2 2 297.424 0.906 20 0 CCADLP CNS(=O)(=O)c1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000662284968 414706128 /nfs/dbraw/zinc/70/61/28/414706128.db2.gz SLGCFBVFGQRFST-DGCLKSJQSA-N 2 2 297.424 0.906 20 0 CCADLP CC(C)n1cc[nH+]c1CNC1(CO)CC[NH2+]CC1 ZINC000662286757 414706512 /nfs/dbraw/zinc/70/65/12/414706512.db2.gz LEIHLBVZJSDNOP-UHFFFAOYSA-N 2 2 252.362 0.668 20 0 CCADLP [NH3+]CC[N@H+](CCCc1ccccc1)C[C@H](O)CO ZINC000662289332 414707234 /nfs/dbraw/zinc/70/72/34/414707234.db2.gz UOUHUJZMBSBPHQ-AWEZNQCLSA-N 2 2 252.358 0.233 20 0 CCADLP [NH3+]CC[N@@H+](CCCc1ccccc1)C[C@H](O)CO ZINC000662289332 414707235 /nfs/dbraw/zinc/70/72/35/414707235.db2.gz UOUHUJZMBSBPHQ-AWEZNQCLSA-N 2 2 252.358 0.233 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CC1(C)C ZINC000662348604 414711426 /nfs/dbraw/zinc/71/14/26/414711426.db2.gz WGTZZLKUTDXUGY-LBPRGKRZSA-N 2 2 253.390 0.738 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CC1(C)C ZINC000662348604 414711427 /nfs/dbraw/zinc/71/14/27/414711427.db2.gz WGTZZLKUTDXUGY-LBPRGKRZSA-N 2 2 253.390 0.738 20 0 CCADLP C[NH+](C)CCC[C@H]1C[N@H+](CC(=O)N2CCCC2)CCO1 ZINC000662320288 414709128 /nfs/dbraw/zinc/70/91/28/414709128.db2.gz SQYUGKHELDTSQZ-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP C[NH+](C)CCC[C@H]1C[N@@H+](CC(=O)N2CCCC2)CCO1 ZINC000662320288 414709129 /nfs/dbraw/zinc/70/91/29/414709129.db2.gz SQYUGKHELDTSQZ-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP Cc1cccc([C@H]2C(=O)NCC[N@H+]2CCOCC[NH3+])c1 ZINC000662317986 414709588 /nfs/dbraw/zinc/70/95/88/414709588.db2.gz VKVYJYRGDVNIPE-AWEZNQCLSA-N 2 2 277.368 0.443 20 0 CCADLP Cc1cccc([C@H]2C(=O)NCC[N@@H+]2CCOCC[NH3+])c1 ZINC000662317986 414709589 /nfs/dbraw/zinc/70/95/89/414709589.db2.gz VKVYJYRGDVNIPE-AWEZNQCLSA-N 2 2 277.368 0.443 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CC1(C)C ZINC000662348603 414711433 /nfs/dbraw/zinc/71/14/33/414711433.db2.gz WGTZZLKUTDXUGY-GFCCVEGCSA-N 2 2 253.390 0.738 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CC1(C)C ZINC000662348603 414711434 /nfs/dbraw/zinc/71/14/34/414711434.db2.gz WGTZZLKUTDXUGY-GFCCVEGCSA-N 2 2 253.390 0.738 20 0 CCADLP O[C@H]1CC[N@@H+](C2CC[NH+](CCn3cccn3)CC2)C1 ZINC000662150389 414693434 /nfs/dbraw/zinc/69/34/34/414693434.db2.gz VMFIGHWYKBWXMO-AWEZNQCLSA-N 2 2 264.373 0.414 20 0 CCADLP O[C@H]1CC[N@H+](C2CC[NH+](CCn3cccn3)CC2)C1 ZINC000662150389 414693435 /nfs/dbraw/zinc/69/34/35/414693435.db2.gz VMFIGHWYKBWXMO-AWEZNQCLSA-N 2 2 264.373 0.414 20 0 CCADLP Cn1c[nH+]cc1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662155467 414694289 /nfs/dbraw/zinc/69/42/89/414694289.db2.gz JDZMNBRNKFBFBP-CQSZACIVSA-N 2 2 264.373 0.451 20 0 CCADLP Cn1c[nH+]cc1CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662155467 414694290 /nfs/dbraw/zinc/69/42/90/414694290.db2.gz JDZMNBRNKFBFBP-CQSZACIVSA-N 2 2 264.373 0.451 20 0 CCADLP COc1ccc([C@@H](CO)[N@H+](C)C[C@@H]2C[NH2+]CCO2)cc1 ZINC000662254121 414699783 /nfs/dbraw/zinc/69/97/83/414699783.db2.gz FVHPTOWIIBHPPU-LSDHHAIUSA-N 2 2 280.368 0.649 20 0 CCADLP COc1ccc([C@@H](CO)[N@@H+](C)C[C@@H]2C[NH2+]CCO2)cc1 ZINC000662254121 414699784 /nfs/dbraw/zinc/69/97/84/414699784.db2.gz FVHPTOWIIBHPPU-LSDHHAIUSA-N 2 2 280.368 0.649 20 0 CCADLP FC(F)(F)[C@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662256015 414700667 /nfs/dbraw/zinc/70/06/67/414700667.db2.gz HSMRKYJOLGJRBS-VHSXEESVSA-N 2 2 280.290 0.771 20 0 CCADLP FC(F)(F)[C@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662256015 414700668 /nfs/dbraw/zinc/70/06/68/414700668.db2.gz HSMRKYJOLGJRBS-VHSXEESVSA-N 2 2 280.290 0.771 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000662740697 414750577 /nfs/dbraw/zinc/75/05/77/414750577.db2.gz VPFFVVWHKYOOOJ-CBBWQLFWSA-N 2 2 291.370 0.859 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000662354730 414711586 /nfs/dbraw/zinc/71/15/86/414711586.db2.gz BEQPTCUBPMKFLF-AWEZNQCLSA-N 2 2 276.384 0.724 20 0 CCADLP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000662381895 414712989 /nfs/dbraw/zinc/71/29/89/414712989.db2.gz JFXMYMLJAMEMAN-QWRGUYRKSA-N 2 2 254.334 0.140 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@H]2CCc3cc(F)ccc32)[C@H](C[NH3+])C1 ZINC000662430500 414717892 /nfs/dbraw/zinc/71/78/92/414717892.db2.gz YPZLRPNUCNIXSJ-HIFRSBDPSA-N 2 2 291.370 0.957 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]2CCc3cc(F)ccc32)[C@H](C[NH3+])C1 ZINC000662430500 414717893 /nfs/dbraw/zinc/71/78/93/414717893.db2.gz YPZLRPNUCNIXSJ-HIFRSBDPSA-N 2 2 291.370 0.957 20 0 CCADLP CC(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000662442075 414718755 /nfs/dbraw/zinc/71/87/55/414718755.db2.gz PGURSEAPNAPPKT-RYUDHWBXSA-N 2 2 280.372 0.868 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000662536127 414726116 /nfs/dbraw/zinc/72/61/16/414726116.db2.gz VTHCIKLTQGXMIL-LBPRGKRZSA-N 2 2 277.372 0.432 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662589685 414730990 /nfs/dbraw/zinc/73/09/90/414730990.db2.gz JAJJVOSGQQSCCA-HUUCEWRRSA-N 3 2 296.459 0.504 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[NH2+]C2)[C@H](C)CO1 ZINC000662631783 414734757 /nfs/dbraw/zinc/73/47/57/414734757.db2.gz VLTDGIZSDPVBGW-JHJVBQTASA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[NH2+]C2)[C@H](C)CO1 ZINC000662631783 414734758 /nfs/dbraw/zinc/73/47/58/414734758.db2.gz VLTDGIZSDPVBGW-JHJVBQTASA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C1(C[NH3+])CCCC1 ZINC000662631034 414734790 /nfs/dbraw/zinc/73/47/90/414734790.db2.gz PGNRFQFTBWUOFD-OLZOCXBDSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C1(C[NH3+])CCCC1 ZINC000662631034 414734791 /nfs/dbraw/zinc/73/47/91/414734791.db2.gz PGNRFQFTBWUOFD-OLZOCXBDSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[NH2+]C2)[C@@H](C)CO1 ZINC000662631787 414734983 /nfs/dbraw/zinc/73/49/83/414734983.db2.gz VLTDGIZSDPVBGW-YNEHKIRRSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[NH2+]C2)[C@@H](C)CO1 ZINC000662631787 414734984 /nfs/dbraw/zinc/73/49/84/414734984.db2.gz VLTDGIZSDPVBGW-YNEHKIRRSA-N 2 2 269.389 0.211 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1csc(C[NH3+])n1 ZINC000662633601 414735277 /nfs/dbraw/zinc/73/52/77/414735277.db2.gz MRHOVEFMNXYWEI-UHFFFAOYSA-N 3 2 299.444 0.215 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1csc(C[NH3+])n1 ZINC000662633601 414735278 /nfs/dbraw/zinc/73/52/78/414735278.db2.gz MRHOVEFMNXYWEI-UHFFFAOYSA-N 3 2 299.444 0.215 20 0 CCADLP CC(C)[NH2+]CC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000662633250 414735299 /nfs/dbraw/zinc/73/52/99/414735299.db2.gz JRKSIRJZSBSQEV-NEPJUHHUSA-N 2 2 257.378 0.210 20 0 CCADLP CC(C)[NH2+]CC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000662633250 414735300 /nfs/dbraw/zinc/73/53/00/414735300.db2.gz JRKSIRJZSBSQEV-NEPJUHHUSA-N 2 2 257.378 0.210 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)CC(F)(F)C[NH3+])[C@@H](C)CO1 ZINC000662633353 414735475 /nfs/dbraw/zinc/73/54/75/414735475.db2.gz KEDDFRJZKDZUHZ-UWVGGRQHSA-N 2 2 279.331 0.196 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)CC(F)(F)C[NH3+])[C@@H](C)CO1 ZINC000662633353 414735476 /nfs/dbraw/zinc/73/54/76/414735476.db2.gz KEDDFRJZKDZUHZ-UWVGGRQHSA-N 2 2 279.331 0.196 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]([NH3+])CC(F)F)[C@@H](C)CO1 ZINC000662633396 414735595 /nfs/dbraw/zinc/73/55/95/414735595.db2.gz KRSDGGPKOFNYTR-IVZWLZJFSA-N 2 2 279.331 0.194 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]([NH3+])CC(F)F)[C@@H](C)CO1 ZINC000662633396 414735596 /nfs/dbraw/zinc/73/55/96/414735596.db2.gz KRSDGGPKOFNYTR-IVZWLZJFSA-N 2 2 279.331 0.194 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)CC[NH2+]1 ZINC000662634108 414735908 /nfs/dbraw/zinc/73/59/08/414735908.db2.gz QJZYPPNMXDZIKX-KBPBESRZSA-N 3 2 284.448 0.374 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC[NH2+]1 ZINC000662634108 414735909 /nfs/dbraw/zinc/73/59/09/414735909.db2.gz QJZYPPNMXDZIKX-KBPBESRZSA-N 3 2 284.448 0.374 20 0 CCADLP CC1(C)CC[NH2+][C@H]1C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000662665450 414738700 /nfs/dbraw/zinc/73/87/00/414738700.db2.gz KSWGTMKLMQIKDT-KGLIPLIRSA-N 2 2 295.427 0.698 20 0 CCADLP [NH3+]C1(CC(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000662685451 414741010 /nfs/dbraw/zinc/74/10/10/414741010.db2.gz UPKMZAGBDHCUPE-UHFFFAOYSA-N 2 2 262.357 0.760 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662685721 414741096 /nfs/dbraw/zinc/74/10/96/414741096.db2.gz GXUVHCHSICLTGK-QWRGUYRKSA-N 2 2 250.346 0.776 20 0 CCADLP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000662695330 414742357 /nfs/dbraw/zinc/74/23/57/414742357.db2.gz ZDBSDSKBPRLWDI-GJZGRUSLSA-N 2 2 289.379 0.482 20 0 CCADLP O=C([C@@H]1CCC[NH2+]C1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662704000 414743946 /nfs/dbraw/zinc/74/39/46/414743946.db2.gz RFSXIZZECWYGJY-OAHLLOKOSA-N 2 2 295.427 0.557 20 0 CCADLP CO[C@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)C1CCCC1 ZINC000662711487 414744988 /nfs/dbraw/zinc/74/49/88/414744988.db2.gz NKYBBHKIXGZWEW-CHWSQXEVSA-N 2 2 271.405 0.587 20 0 CCADLP C[C@H](NC(=O)C1([NH2+]C2CC2)CCC1)[C@H](C)[NH+]1CCOCC1 ZINC000662719692 414746256 /nfs/dbraw/zinc/74/62/56/414746256.db2.gz AMCARAAJZYUKGC-STQMWFEESA-N 2 2 295.427 0.887 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]([NH3+])C(C)(C)C)[C@@H](C)CO1 ZINC000662858669 414848963 /nfs/dbraw/zinc/84/89/63/414848963.db2.gz HHSNITHXOFRVNO-SDDRHHMPSA-N 2 2 271.405 0.585 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]([NH3+])C(C)(C)C)[C@@H](C)CO1 ZINC000662858669 414848967 /nfs/dbraw/zinc/84/89/67/414848967.db2.gz HHSNITHXOFRVNO-SDDRHHMPSA-N 2 2 271.405 0.585 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C2([NH3+])CCCC2)[C@H](C)CO1 ZINC000662861278 414853003 /nfs/dbraw/zinc/85/30/03/414853003.db2.gz ZHSUZOZLKVQERR-VXGBXAGGSA-N 2 2 269.389 0.483 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2([NH3+])CCCC2)[C@H](C)CO1 ZINC000662861278 414853006 /nfs/dbraw/zinc/85/30/06/414853006.db2.gz ZHSUZOZLKVQERR-VXGBXAGGSA-N 2 2 269.389 0.483 20 0 CCADLP [NH3+]C1(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CCCC1 ZINC000662870632 414856886 /nfs/dbraw/zinc/85/68/86/414856886.db2.gz JLJJVPJRMUUMHO-GFCCVEGCSA-N 2 2 267.373 0.191 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CC[NH2+]CC1(F)F)c1[nH+]ccn1C ZINC000662934908 414904751 /nfs/dbraw/zinc/90/47/51/414904751.db2.gz RCQMVSMQGAUPSV-IUCAKERBSA-N 2 2 272.299 0.842 20 0 CCADLP COc1ccc(N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)cn1 ZINC000662897812 414877294 /nfs/dbraw/zinc/87/72/94/414877294.db2.gz OXCRGUMZZKLZLS-LLVKDONJSA-N 2 2 266.345 0.332 20 0 CCADLP CN(C(=O)[C@H]1CCC[NH2+]1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899148 414880384 /nfs/dbraw/zinc/88/03/84/414880384.db2.gz BYBGQHJXFCALCO-HUUCEWRRSA-N 3 2 294.443 0.365 20 0 CCADLP CN(C(=O)[C@H]1CCC[NH2+]1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899148 414880388 /nfs/dbraw/zinc/88/03/88/414880388.db2.gz BYBGQHJXFCALCO-HUUCEWRRSA-N 3 2 294.443 0.365 20 0 CCADLP CN(C(=O)C(C)(C)C[NH3+])[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900525 414880949 /nfs/dbraw/zinc/88/09/49/414880949.db2.gz MTVGANZUXJAHFU-AWEZNQCLSA-N 3 2 296.459 0.598 20 0 CCADLP CN(C(=O)C(C)(C)C[NH3+])[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900525 414880955 /nfs/dbraw/zinc/88/09/55/414880955.db2.gz MTVGANZUXJAHFU-AWEZNQCLSA-N 3 2 296.459 0.598 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000662901185 414880991 /nfs/dbraw/zinc/88/09/91/414880991.db2.gz FICQHHWTAKXVAM-SUNKGSAMSA-N 2 2 278.356 0.316 20 0 CCADLP C[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662898972 414881243 /nfs/dbraw/zinc/88/12/43/414881243.db2.gz AHJFAAQWWRZVSS-TZMCWYRMSA-N 3 2 282.432 0.351 20 0 CCADLP C[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662898972 414881248 /nfs/dbraw/zinc/88/12/48/414881248.db2.gz AHJFAAQWWRZVSS-TZMCWYRMSA-N 3 2 282.432 0.351 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000663371940 415051052 /nfs/dbraw/zinc/05/10/52/415051052.db2.gz BUINDDBSGKLYHV-HOCLYGCPSA-N 2 2 277.412 0.773 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000663371940 415051056 /nfs/dbraw/zinc/05/10/56/415051056.db2.gz BUINDDBSGKLYHV-HOCLYGCPSA-N 2 2 277.412 0.773 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000663371938 415051078 /nfs/dbraw/zinc/05/10/78/415051078.db2.gz BUINDDBSGKLYHV-GDBMZVCRSA-N 2 2 277.412 0.773 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000663371938 415051081 /nfs/dbraw/zinc/05/10/81/415051081.db2.gz BUINDDBSGKLYHV-GDBMZVCRSA-N 2 2 277.412 0.773 20 0 CCADLP C[C@@H](O)CNc1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)nc[nH+]1 ZINC000663428945 415063747 /nfs/dbraw/zinc/06/37/47/415063747.db2.gz WSXCSLOHEXZYMO-GHMZBOCLSA-N 2 2 277.372 0.918 20 0 CCADLP C[C@@H](O)CNc1cc(N[C@@H]2CC[N@H+](C3CC3)C2)nc[nH+]1 ZINC000663428945 415063754 /nfs/dbraw/zinc/06/37/54/415063754.db2.gz WSXCSLOHEXZYMO-GHMZBOCLSA-N 2 2 277.372 0.918 20 0 CCADLP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1nc2c(s1)C[NH2+]CC2 ZINC000663496491 415077886 /nfs/dbraw/zinc/07/78/86/415077886.db2.gz GWZPSBAHTRMGNV-VHSXEESVSA-N 3 2 266.414 0.876 20 0 CCADLP CCCNC(=O)[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000663304843 415039455 /nfs/dbraw/zinc/03/94/55/415039455.db2.gz TVBPOQUNCSWYRW-GXTWGEPZSA-N 2 2 283.416 0.744 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CCC[NH+](C)C2)[C@H](C)CO1 ZINC000663775418 415132497 /nfs/dbraw/zinc/13/24/97/415132497.db2.gz XVVZSACDDBROEY-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCC[NH+](C)C2)[C@H](C)CO1 ZINC000663775418 415132504 /nfs/dbraw/zinc/13/25/04/415132504.db2.gz XVVZSACDDBROEY-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CCC[N@H+](C)C2)[C@H](C)CO1 ZINC000663775418 415132514 /nfs/dbraw/zinc/13/25/14/415132514.db2.gz XVVZSACDDBROEY-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CCC[N@@H+](C)C2)[C@H](C)CO1 ZINC000663775418 415132521 /nfs/dbraw/zinc/13/25/21/415132521.db2.gz XVVZSACDDBROEY-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)NCc2[nH+]ccn2C)[C@H](C)CO1 ZINC000663973589 415187871 /nfs/dbraw/zinc/18/78/71/415187871.db2.gz BWEXOGMFRDHOLT-VXGBXAGGSA-N 2 2 295.387 0.329 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCc2[nH+]ccn2C)[C@H](C)CO1 ZINC000663973589 415187879 /nfs/dbraw/zinc/18/78/79/415187879.db2.gz BWEXOGMFRDHOLT-VXGBXAGGSA-N 2 2 295.387 0.329 20 0 CCADLP C[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)C1 ZINC000044529988 175195042 /nfs/dbraw/zinc/19/50/42/175195042.db2.gz CGAHGYZIRCMAOG-QWHCGFSZSA-N 2 2 253.390 0.916 20 0 CCADLP C[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)C1 ZINC000044529988 175195043 /nfs/dbraw/zinc/19/50/43/175195043.db2.gz CGAHGYZIRCMAOG-QWHCGFSZSA-N 2 2 253.390 0.916 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC000665235898 415572198 /nfs/dbraw/zinc/57/21/98/415572198.db2.gz BWMCLLXTYAEGEP-WRWGMCAJSA-N 2 2 265.361 0.641 20 0 CCADLP Cc1cncc(CC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)n1 ZINC000665274237 415583984 /nfs/dbraw/zinc/58/39/84/415583984.db2.gz MEXZNQXFGCANGQ-CABCVRRESA-N 2 2 276.384 0.684 20 0 CCADLP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000665282333 415587367 /nfs/dbraw/zinc/58/73/67/415587367.db2.gz VXYFPOQZASGEHJ-MCIONIFRSA-N 3 2 255.406 0.716 20 0 CCADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]C2CC[NH+](C3CC3)CC2)n1 ZINC000665294516 415590458 /nfs/dbraw/zinc/59/04/58/415590458.db2.gz QCSPDVFHJMDSCR-UHFFFAOYSA-N 3 2 277.372 0.357 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000071147246 176043178 /nfs/dbraw/zinc/04/31/78/176043178.db2.gz UJGAFYOMLJSZDU-JTQLQIEISA-N 2 2 278.381 0.797 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000071147246 176043180 /nfs/dbraw/zinc/04/31/80/176043180.db2.gz UJGAFYOMLJSZDU-JTQLQIEISA-N 2 2 278.381 0.797 20 0 CCADLP C[C@@H]1CCCC[N@@H+]1CCNc1nc[nH+]c2c1OCCN2 ZINC000665692188 416474838 /nfs/dbraw/zinc/47/48/38/416474838.db2.gz NMIFIQHIPCMNLR-LLVKDONJSA-N 2 2 277.372 0.680 20 0 CCADLP C[C@@H]1CCCC[N@H+]1CCNc1nc[nH+]c2c1OCCN2 ZINC000665692188 416474844 /nfs/dbraw/zinc/47/48/44/416474844.db2.gz NMIFIQHIPCMNLR-LLVKDONJSA-N 2 2 277.372 0.680 20 0 CCADLP C[C@@H]1C[C@H](C(=O)NCCn2cc[nH+]c2)CC[N@@H+]1C ZINC000352707514 227175835 /nfs/dbraw/zinc/17/58/35/227175835.db2.gz SFVYVBRULLTBMA-VXGBXAGGSA-N 2 2 250.346 0.730 20 0 CCADLP C[C@@H]1C[C@H](C(=O)NCCn2cc[nH+]c2)CC[N@H+]1C ZINC000352707514 227175838 /nfs/dbraw/zinc/17/58/38/227175838.db2.gz SFVYVBRULLTBMA-VXGBXAGGSA-N 2 2 250.346 0.730 20 0 CCADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CC(=O)N(C3CC3)C2=O)C1 ZINC000044535938 544430591 /nfs/dbraw/zinc/43/05/91/544430591.db2.gz IXLIBYRPRFACCD-CMPLNLGQSA-N 2 2 265.357 0.208 20 0 CCADLP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CC(=O)N(C3CC3)C2=O)C1 ZINC000044535938 544430595 /nfs/dbraw/zinc/43/05/95/544430595.db2.gz IXLIBYRPRFACCD-CMPLNLGQSA-N 2 2 265.357 0.208 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)C1CC[NH+](C)CC1 ZINC000068801642 544449449 /nfs/dbraw/zinc/44/94/49/544449449.db2.gz IHLNPRUPIKLOPX-DZGCQCFKSA-N 3 2 268.449 0.552 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)C1CC[NH+](C)CC1 ZINC000068801642 544449454 /nfs/dbraw/zinc/44/94/54/544449454.db2.gz IHLNPRUPIKLOPX-DZGCQCFKSA-N 3 2 268.449 0.552 20 0 CCADLP CC[NH+]1CCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000073044533 544453751 /nfs/dbraw/zinc/45/37/51/544453751.db2.gz CIOQTWXEJLWTHY-UHFFFAOYSA-N 2 2 298.431 0.444 20 0 CCADLP CC[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccoc1 ZINC000093170741 544537536 /nfs/dbraw/zinc/53/75/36/544537536.db2.gz VXXOUIOSUSEHMR-UHFFFAOYSA-N 2 2 265.357 0.876 20 0 CCADLP CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccoc1 ZINC000093170741 544537538 /nfs/dbraw/zinc/53/75/38/544537538.db2.gz VXXOUIOSUSEHMR-UHFFFAOYSA-N 2 2 265.357 0.876 20 0 CCADLP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000088288929 544504985 /nfs/dbraw/zinc/50/49/85/544504985.db2.gz SJEOJCKYZYATEE-LSDHHAIUSA-N 2 2 297.443 0.931 20 0 CCADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000088539376 544509536 /nfs/dbraw/zinc/50/95/36/544509536.db2.gz XMFIDLMRYQSQLQ-SECBINFHSA-N 2 2 275.374 0.357 20 0 CCADLP CCNC(=O)C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000157908867 544685176 /nfs/dbraw/zinc/68/51/76/544685176.db2.gz XKKCGBQIZURNEO-UHFFFAOYSA-N 2 2 276.384 0.772 20 0 CCADLP C[C@H](C[NH2+]CCC[NH+]1CCCCC1)S(C)(=O)=O ZINC000168436923 544729628 /nfs/dbraw/zinc/72/96/28/544729628.db2.gz UUVHUXZSKFYSJQ-GFCCVEGCSA-N 2 2 262.419 0.885 20 0 CCADLP CC(C)[C@H](CNC(=O)c1ccc(C[NH3+])o1)[NH+]1CCOCC1 ZINC000164309948 544718796 /nfs/dbraw/zinc/71/87/96/544718796.db2.gz ACAJLKVBAXFIDV-ZDUSSCGKSA-N 2 2 295.383 0.825 20 0 CCADLP CCc1nn(C)cc1C[NH2+]CC[N@@H+](CC)CCO ZINC000184539070 544773200 /nfs/dbraw/zinc/77/32/00/544773200.db2.gz QKCQYYZMPKWECT-UHFFFAOYSA-N 2 2 254.378 0.386 20 0 CCADLP CC(C)C1(C[NH2+]CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000232660215 544863672 /nfs/dbraw/zinc/86/36/72/544863672.db2.gz USSOAGPKJARZPH-UHFFFAOYSA-N 2 2 253.390 0.786 20 0 CCADLP CC[NH2+]Cc1cn(Cc2[nH+]ccc(OC)c2OC)nn1 ZINC000232198834 544862459 /nfs/dbraw/zinc/86/24/59/544862459.db2.gz UQMJILIZGPZGCV-UHFFFAOYSA-N 2 2 277.328 0.848 20 0 CCADLP COCC[NH+]1CCN(C(=O)C2([NH3+])CCCC2)CC1 ZINC000237112157 544891200 /nfs/dbraw/zinc/89/12/00/544891200.db2.gz IIQIOTDKTSNOSB-UHFFFAOYSA-N 2 2 255.362 0.049 20 0 CCADLP CCCNC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250554450 544922879 /nfs/dbraw/zinc/92/28/79/544922879.db2.gz UMBWCLPQFJVARX-CHWSQXEVSA-N 2 2 253.390 0.977 20 0 CCADLP CCCNC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250554450 544922882 /nfs/dbraw/zinc/92/28/82/544922882.db2.gz UMBWCLPQFJVARX-CHWSQXEVSA-N 2 2 253.390 0.977 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000253161967 544933175 /nfs/dbraw/zinc/93/31/75/544933175.db2.gz VGCVCQQRGVGWAC-KFWWJZLASA-N 2 2 295.427 0.698 20 0 CCADLP Cc1cc(NCC[NH+]2CCC(O)CC2)nc(C)[nH+]1 ZINC000296069681 544976699 /nfs/dbraw/zinc/97/66/99/544976699.db2.gz RTXGHIRHBWDFMO-UHFFFAOYSA-N 2 2 250.346 0.962 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)CN2CC[NH+](C)CC2(C)C)C[C@H](C)O1 ZINC000347603026 545062995 /nfs/dbraw/zinc/06/29/95/545062995.db2.gz XTTVUSPAUDJMCF-ZNMIVQPWSA-N 2 2 299.459 0.483 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)CN2CC[NH+](C)CC2(C)C)C[C@H](C)O1 ZINC000347603026 545062996 /nfs/dbraw/zinc/06/29/96/545062996.db2.gz XTTVUSPAUDJMCF-ZNMIVQPWSA-N 2 2 299.459 0.483 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN2CC[N@H+](C)CC2(C)C)C[C@H](C)O1 ZINC000347603026 545062997 /nfs/dbraw/zinc/06/29/97/545062997.db2.gz XTTVUSPAUDJMCF-ZNMIVQPWSA-N 2 2 299.459 0.483 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN2CC[N@@H+](C)CC2(C)C)C[C@H](C)O1 ZINC000347603026 545062998 /nfs/dbraw/zinc/06/29/98/545062998.db2.gz XTTVUSPAUDJMCF-ZNMIVQPWSA-N 2 2 299.459 0.483 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000335320715 545048383 /nfs/dbraw/zinc/04/83/83/545048383.db2.gz UMYXOOCUXWLHEC-CQSZACIVSA-N 2 2 262.357 0.875 20 0 CCADLP C[C@H](CC[N@@H+]1CC[C@](F)(CO)C1)[NH+]1CC[C@@](F)(CO)C1 ZINC000338590152 545052641 /nfs/dbraw/zinc/05/26/41/545052641.db2.gz CVQYJRMQDQRAMF-MCIONIFRSA-N 2 2 292.370 0.578 20 0 CCADLP C[C@H](CC[N@H+]1CC[C@](F)(CO)C1)[NH+]1CC[C@@](F)(CO)C1 ZINC000338590152 545052642 /nfs/dbraw/zinc/05/26/42/545052642.db2.gz CVQYJRMQDQRAMF-MCIONIFRSA-N 2 2 292.370 0.578 20 0 CCADLP C[C@H](CC[NH+]1CC[C@](F)(CO)C1)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338590152 545052643 /nfs/dbraw/zinc/05/26/43/545052643.db2.gz CVQYJRMQDQRAMF-MCIONIFRSA-N 2 2 292.370 0.578 20 0 CCADLP C[C@H](CC[NH+]1CC[C@](F)(CO)C1)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338590152 545052645 /nfs/dbraw/zinc/05/26/45/545052645.db2.gz CVQYJRMQDQRAMF-MCIONIFRSA-N 2 2 292.370 0.578 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000528551604 269840987 /nfs/dbraw/zinc/84/09/87/269840987.db2.gz IJHWPMUCHBGNEP-UHFFFAOYSA-N 2 2 276.344 0.307 20 0 CCADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H](C)CO)c2cc1C ZINC000519155542 265334380 /nfs/dbraw/zinc/33/43/80/265334380.db2.gz HKUFHISVOSCLJM-STQMWFEESA-N 2 2 277.368 0.984 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000433146824 276016394 /nfs/dbraw/zinc/01/63/94/276016394.db2.gz MOVQFCFWGSQCFP-IHRRRGAJSA-N 2 2 283.416 0.396 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(C)n(C)n3)C2)CC1 ZINC000336834255 276201371 /nfs/dbraw/zinc/20/13/71/276201371.db2.gz FUXIGKGTWQRTNJ-INIZCTEOSA-N 2 2 291.443 0.940 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(C)n(C)n3)C2)CC1 ZINC000336834255 276201372 /nfs/dbraw/zinc/20/13/72/276201372.db2.gz FUXIGKGTWQRTNJ-INIZCTEOSA-N 2 2 291.443 0.940 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000245401321 276380899 /nfs/dbraw/zinc/38/08/99/276380899.db2.gz DMGJFFBQZZMSTP-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000245401321 276380902 /nfs/dbraw/zinc/38/09/02/276380902.db2.gz DMGJFFBQZZMSTP-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CN1C(=O)CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1=O ZINC000328599855 277006889 /nfs/dbraw/zinc/00/68/89/277006889.db2.gz CNPUWXSLXHEDMA-GFCCVEGCSA-N 2 2 265.357 0.350 20 0 CCADLP CC(=O)NCCC[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000343920777 277030700 /nfs/dbraw/zinc/03/07/00/277030700.db2.gz IGTPLRDIBZFING-GDBMZVCRSA-N 2 2 296.459 0.470 20 0 CCADLP CC(=O)NCCC[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000343920777 277030702 /nfs/dbraw/zinc/03/07/02/277030702.db2.gz IGTPLRDIBZFING-GDBMZVCRSA-N 2 2 296.459 0.470 20 0 CCADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000423481568 287931740 /nfs/dbraw/zinc/93/17/40/287931740.db2.gz WWYOVHABFJROJR-JQWIXIFHSA-N 2 2 285.413 0.983 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000332620521 277046724 /nfs/dbraw/zinc/04/67/24/277046724.db2.gz NPEBHYBDGKMOBN-RYUDHWBXSA-N 2 2 280.372 0.097 20 0 CCADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000332620521 277046725 /nfs/dbraw/zinc/04/67/25/277046725.db2.gz NPEBHYBDGKMOBN-RYUDHWBXSA-N 2 2 280.372 0.097 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000332620521 277046726 /nfs/dbraw/zinc/04/67/26/277046726.db2.gz NPEBHYBDGKMOBN-RYUDHWBXSA-N 2 2 280.372 0.097 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000332620521 277046728 /nfs/dbraw/zinc/04/67/28/277046728.db2.gz NPEBHYBDGKMOBN-RYUDHWBXSA-N 2 2 280.372 0.097 20 0 CCADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@H+](C)CCN2C)[C@H]1C ZINC000354332772 277065728 /nfs/dbraw/zinc/06/57/28/277065728.db2.gz VYQNOTXLOGCEED-AJNGGQMLSA-N 2 2 297.443 0.800 20 0 CCADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@@H+](C)CCN2C)[C@H]1C ZINC000354332772 277065729 /nfs/dbraw/zinc/06/57/29/277065729.db2.gz VYQNOTXLOGCEED-AJNGGQMLSA-N 2 2 297.443 0.800 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]CCCS(N)(=O)=O)[C@H]1c1ccccc1 ZINC000289307996 277170690 /nfs/dbraw/zinc/17/06/90/277170690.db2.gz AYOVXJSAGIRFMM-UONOGXRCSA-N 2 2 297.424 0.700 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]CCCS(N)(=O)=O)[C@H]1c1ccccc1 ZINC000289307996 277170692 /nfs/dbraw/zinc/17/06/92/277170692.db2.gz AYOVXJSAGIRFMM-UONOGXRCSA-N 2 2 297.424 0.700 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H]2CCCN(c3ccn(C)n3)C2=O)C1 ZINC000430924193 277279798 /nfs/dbraw/zinc/27/97/98/277279798.db2.gz IBJHUSNWCLLJQY-QWHCGFSZSA-N 2 2 291.399 0.457 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H]2CCCN(c3ccn(C)n3)C2=O)C1 ZINC000430924193 277279799 /nfs/dbraw/zinc/27/97/99/277279799.db2.gz IBJHUSNWCLLJQY-QWHCGFSZSA-N 2 2 291.399 0.457 20 0 CCADLP CC(C)(C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)N1CCOCC1 ZINC000422752049 277302722 /nfs/dbraw/zinc/30/27/22/277302722.db2.gz GQTFYHTZNHYDQC-GJZGRUSLSA-N 2 2 297.443 0.454 20 0 CCADLP COc1ccccc1[C@@H]([NH3+])C(=O)N1CC[NH+](C)CC1 ZINC000257648091 277471192 /nfs/dbraw/zinc/47/11/92/277471192.db2.gz BHSGCLHPNQAPNA-CYBMUJFWSA-N 2 2 263.341 0.469 20 0 CCADLP C[C@@H]1[N@H+](CC(=O)N2CC[NH+](C)CC2)CCC12CCOCC2 ZINC000363802469 278044356 /nfs/dbraw/zinc/04/43/56/278044356.db2.gz TUTSCFCTICFDRW-AWEZNQCLSA-N 2 2 295.427 0.651 20 0 CCADLP C[C@@H]1[N@@H+](CC(=O)N2CC[NH+](C)CC2)CCC12CCOCC2 ZINC000363802469 278044358 /nfs/dbraw/zinc/04/43/58/278044358.db2.gz TUTSCFCTICFDRW-AWEZNQCLSA-N 2 2 295.427 0.651 20 0 CCADLP C[C@H](C[N@H+](C)C[C@H]1CCC[NH+](C)C1)CS(C)(=O)=O ZINC000246425277 278178395 /nfs/dbraw/zinc/17/83/95/278178395.db2.gz CEYSJVVOBYNZAJ-OLZOCXBDSA-N 2 2 276.446 0.941 20 0 CCADLP C[C@H](C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)CS(C)(=O)=O ZINC000246425277 278178396 /nfs/dbraw/zinc/17/83/96/278178396.db2.gz CEYSJVVOBYNZAJ-OLZOCXBDSA-N 2 2 276.446 0.941 20 0 CCADLP C[C@H](C[NH+](C)C[C@H]1CCC[N@H+](C)C1)CS(C)(=O)=O ZINC000246425277 278178399 /nfs/dbraw/zinc/17/83/99/278178399.db2.gz CEYSJVVOBYNZAJ-OLZOCXBDSA-N 2 2 276.446 0.941 20 0 CCADLP C[C@H](C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)CS(C)(=O)=O ZINC000246425277 278178400 /nfs/dbraw/zinc/17/84/00/278178400.db2.gz CEYSJVVOBYNZAJ-OLZOCXBDSA-N 2 2 276.446 0.941 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000127143868 278193784 /nfs/dbraw/zinc/19/37/84/278193784.db2.gz JYKXDVAELGOAPF-RBSFLKMASA-N 2 2 297.443 0.849 20 0 CCADLP C[C@H]1CC[NH2+][C@@H](C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000126777877 278373823 /nfs/dbraw/zinc/37/38/23/278373823.db2.gz ZXACWDWSMXFOAJ-WCQYABFASA-N 2 2 251.374 0.681 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C ZINC000279114264 278396939 /nfs/dbraw/zinc/39/69/39/278396939.db2.gz CKEDCLOTWPRHKE-NWDGAFQWSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C ZINC000279114264 278396940 /nfs/dbraw/zinc/39/69/40/278396940.db2.gz CKEDCLOTWPRHKE-NWDGAFQWSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000337800054 288091351 /nfs/dbraw/zinc/09/13/51/288091351.db2.gz GGVVCCONWROEIR-NDBYEHHHSA-N 2 2 251.374 0.680 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000337800054 288091353 /nfs/dbraw/zinc/09/13/53/288091353.db2.gz GGVVCCONWROEIR-NDBYEHHHSA-N 2 2 251.374 0.680 20 0 CCADLP CC[NH+](CC(O)C[N@@H+](CC)[C@H]1CCOC1)[C@H]1CCOC1 ZINC000361596911 279065462 /nfs/dbraw/zinc/06/54/62/279065462.db2.gz WAIKFNCMBQMLOU-KBPBESRZSA-N 2 2 286.416 0.569 20 0 CCADLP CC[NH+](CC(O)C[N@H+](CC)[C@H]1CCOC1)[C@H]1CCOC1 ZINC000361596911 279065465 /nfs/dbraw/zinc/06/54/65/279065465.db2.gz WAIKFNCMBQMLOU-KBPBESRZSA-N 2 2 286.416 0.569 20 0 CCADLP CC(C)C[C@H]([NH3+])CN1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000414684551 279179836 /nfs/dbraw/zinc/17/98/36/279179836.db2.gz VXUQYCKDHOVVJM-KBPBESRZSA-N 2 2 296.459 0.645 20 0 CCADLP C[C@H](C(=O)NC[C@H]1C[NH+]2CCN1CC2)[NH+]1CCCCCC1 ZINC000178785889 279226454 /nfs/dbraw/zinc/22/64/54/279226454.db2.gz PKWNSSYFXDZITH-CABCVRRESA-N 2 2 294.443 0.367 20 0 CCADLP C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420349753 279226843 /nfs/dbraw/zinc/22/68/43/279226843.db2.gz DSPKAVYWNANFSY-MFKMUULPSA-N 2 2 283.347 0.082 20 0 CCADLP C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420349753 279226844 /nfs/dbraw/zinc/22/68/44/279226844.db2.gz DSPKAVYWNANFSY-MFKMUULPSA-N 2 2 283.347 0.082 20 0 CCADLP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000423524900 279247348 /nfs/dbraw/zinc/24/73/48/279247348.db2.gz OUQQFGPRADXDIC-TZMCWYRMSA-N 2 2 277.368 0.982 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434380762 279278090 /nfs/dbraw/zinc/27/80/90/279278090.db2.gz WOWGAIFLHLYMHU-AWEZNQCLSA-N 2 2 295.427 0.842 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434380762 279278092 /nfs/dbraw/zinc/27/80/92/279278092.db2.gz WOWGAIFLHLYMHU-AWEZNQCLSA-N 2 2 295.427 0.842 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000291042429 288119011 /nfs/dbraw/zinc/11/90/11/288119011.db2.gz OEPUAGMQKTWZEN-RISCZKNCSA-N 2 2 289.383 0.891 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000291042429 288119015 /nfs/dbraw/zinc/11/90/15/288119015.db2.gz OEPUAGMQKTWZEN-RISCZKNCSA-N 2 2 289.383 0.891 20 0 CCADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000429602162 279874657 /nfs/dbraw/zinc/87/46/57/279874657.db2.gz OEXDBAWMWQIFMW-OLZOCXBDSA-N 2 2 271.405 0.539 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC000420304069 280266007 /nfs/dbraw/zinc/26/60/07/280266007.db2.gz IMHOBQIKYNMXKZ-CABCVRRESA-N 2 2 295.427 0.842 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC000420304069 280266009 /nfs/dbraw/zinc/26/60/09/280266009.db2.gz IMHOBQIKYNMXKZ-CABCVRRESA-N 2 2 295.427 0.842 20 0 CCADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000456367431 281163324 /nfs/dbraw/zinc/16/33/24/281163324.db2.gz DNTVKTLNFDGVBK-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000456367431 281163325 /nfs/dbraw/zinc/16/33/25/281163325.db2.gz DNTVKTLNFDGVBK-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@H]1C[NH+](CC)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000456367431 281163326 /nfs/dbraw/zinc/16/33/26/281163326.db2.gz DNTVKTLNFDGVBK-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@H]1C[NH+](CC)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000456367431 281163328 /nfs/dbraw/zinc/16/33/28/281163328.db2.gz DNTVKTLNFDGVBK-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP C[NH+](C)C1CC[NH+]([C@@H]2CCN(C3CC3)C2=O)CC1 ZINC000336415990 282052164 /nfs/dbraw/zinc/05/21/64/282052164.db2.gz CSOXBPMKNCRKCS-CYBMUJFWSA-N 2 2 251.374 0.776 20 0 CCADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C1CCN(C(N)=O)CC1 ZINC000037319693 289572720 /nfs/dbraw/zinc/57/27/20/289572720.db2.gz KOTALUAXHKVEPF-GFCCVEGCSA-N 2 2 268.405 0.994 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1CN[C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21 ZINC000353523674 290036109 /nfs/dbraw/zinc/03/61/09/290036109.db2.gz YFEUVMIPJPINTR-FPCVCCKLSA-N 2 2 280.460 0.695 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1CN[C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21 ZINC000353523674 290036110 /nfs/dbraw/zinc/03/61/10/290036110.db2.gz YFEUVMIPJPINTR-FPCVCCKLSA-N 2 2 280.460 0.695 20 0 CCADLP CN1CC[NH+](C)C[C@H]1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353523674 290036111 /nfs/dbraw/zinc/03/61/11/290036111.db2.gz YFEUVMIPJPINTR-FPCVCCKLSA-N 2 2 280.460 0.695 20 0 CCADLP CN1CC[NH+](C)C[C@H]1CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353523674 290036112 /nfs/dbraw/zinc/03/61/12/290036112.db2.gz YFEUVMIPJPINTR-FPCVCCKLSA-N 2 2 280.460 0.695 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1CCCO1 ZINC000386429856 336173268 /nfs/dbraw/zinc/17/32/68/336173268.db2.gz OHWOWFBMHROZRA-STQMWFEESA-N 2 2 260.378 0.036 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1CCCO1 ZINC000386429856 336173270 /nfs/dbraw/zinc/17/32/70/336173270.db2.gz OHWOWFBMHROZRA-STQMWFEESA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)C[C@@H]1CCCO1 ZINC000386429856 336173271 /nfs/dbraw/zinc/17/32/71/336173271.db2.gz OHWOWFBMHROZRA-STQMWFEESA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@@H]1CCCO1 ZINC000386429856 336173272 /nfs/dbraw/zinc/17/32/72/336173272.db2.gz OHWOWFBMHROZRA-STQMWFEESA-N 2 2 260.378 0.036 20 0 CCADLP [NH3+]C1(C(=O)NCCn2cc[nH+]c2)Cc2ccccc2C1 ZINC000163652224 295202902 /nfs/dbraw/zinc/20/29/02/295202902.db2.gz FJIFNVKETWQKCG-UHFFFAOYSA-N 2 2 270.336 0.496 20 0 CCADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H](C)CC(N)=O)cc1 ZINC000423335236 295225397 /nfs/dbraw/zinc/22/53/97/295225397.db2.gz PUHUBFNHAUFUBD-BYCMXARLSA-N 2 2 291.395 0.994 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC000342254230 297265027 /nfs/dbraw/zinc/26/50/27/297265027.db2.gz SYZVNAKDCWWQSD-MCIONIFRSA-N 2 2 281.400 0.402 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1CCC[N@H+]1C ZINC000342254230 297265029 /nfs/dbraw/zinc/26/50/29/297265029.db2.gz SYZVNAKDCWWQSD-MCIONIFRSA-N 2 2 281.400 0.402 20 0 CCADLP COC1(CO)CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000401729815 545090037 /nfs/dbraw/zinc/09/00/37/545090037.db2.gz AWLGNGGFSRYKFK-UHFFFAOYSA-N 2 2 253.346 0.665 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000389106541 545086603 /nfs/dbraw/zinc/08/66/03/545086603.db2.gz PFLUVRZTNWLZBD-CYBMUJFWSA-N 2 2 263.345 0.599 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000389106541 545086604 /nfs/dbraw/zinc/08/66/04/545086604.db2.gz PFLUVRZTNWLZBD-CYBMUJFWSA-N 2 2 263.345 0.599 20 0 CCADLP COc1c(N)nc[nH+]c1N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000389106541 545086605 /nfs/dbraw/zinc/08/66/05/545086605.db2.gz PFLUVRZTNWLZBD-CYBMUJFWSA-N 2 2 263.345 0.599 20 0 CCADLP COc1c(N)nc[nH+]c1N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000389106541 545086606 /nfs/dbraw/zinc/08/66/06/545086606.db2.gz PFLUVRZTNWLZBD-CYBMUJFWSA-N 2 2 263.345 0.599 20 0 CCADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)COCCOC)C1 ZINC000389211291 545086788 /nfs/dbraw/zinc/08/67/88/545086788.db2.gz BYVYVGPLHPIVLS-QWHCGFSZSA-N 2 2 260.378 0.084 20 0 CCADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)COCCOC)C1 ZINC000389211291 545086789 /nfs/dbraw/zinc/08/67/89/545086789.db2.gz BYVYVGPLHPIVLS-QWHCGFSZSA-N 2 2 260.378 0.084 20 0 CCADLP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394397539 545088129 /nfs/dbraw/zinc/08/81/29/545088129.db2.gz CIHAWVPJVHVKFA-GJZGRUSLSA-N 2 2 296.459 0.504 20 0 CCADLP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000394397539 545088130 /nfs/dbraw/zinc/08/81/30/545088130.db2.gz CIHAWVPJVHVKFA-GJZGRUSLSA-N 2 2 296.459 0.504 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246188854 298122031 /nfs/dbraw/zinc/12/20/31/298122031.db2.gz SYZQIUYECZBWFE-NEPJUHHUSA-N 2 2 296.415 0.637 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246188854 298122033 /nfs/dbraw/zinc/12/20/33/298122033.db2.gz SYZQIUYECZBWFE-NEPJUHHUSA-N 2 2 296.415 0.637 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246188854 298122034 /nfs/dbraw/zinc/12/20/34/298122034.db2.gz SYZQIUYECZBWFE-NEPJUHHUSA-N 2 2 296.415 0.637 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246188854 298122035 /nfs/dbraw/zinc/12/20/35/298122035.db2.gz SYZQIUYECZBWFE-NEPJUHHUSA-N 2 2 296.415 0.637 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000376869047 298406739 /nfs/dbraw/zinc/40/67/39/298406739.db2.gz IXHFBFTZTOEUHQ-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP C[N@@H+]1CCN(C(=O)c2cccc3c2CCC3)[C@@H](C[NH3+])C1 ZINC000584232216 327071358 /nfs/dbraw/zinc/07/13/58/327071358.db2.gz KCTNDZCPWNIWSF-ZDUSSCGKSA-N 2 2 273.380 0.890 20 0 CCADLP C[N@H+]1CCN(C(=O)c2cccc3c2CCC3)[C@@H](C[NH3+])C1 ZINC000584232216 327071360 /nfs/dbraw/zinc/07/13/60/327071360.db2.gz KCTNDZCPWNIWSF-ZDUSSCGKSA-N 2 2 273.380 0.890 20 0 CCADLP Cc1c[nH+]c(C)nc1NCCC[NH+]1CCC(O)CC1 ZINC000565962885 327099205 /nfs/dbraw/zinc/09/92/05/327099205.db2.gz XVGVLENGMAJLLM-UHFFFAOYSA-N 2 2 264.373 0.774 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@H]3CC[NH2+][C@H]3C)CC2)cc[nH+]1 ZINC000566008480 327112636 /nfs/dbraw/zinc/11/26/36/327112636.db2.gz JJUBPYXEXKZTML-AAEUAGOBSA-N 2 2 289.383 0.432 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1CCCC[C@@H]1O ZINC000573739765 327254586 /nfs/dbraw/zinc/25/45/86/327254586.db2.gz CKZYYNVUHJJYDY-KKUMJFAQSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1CCCC[C@@H]1O ZINC000573739765 327254584 /nfs/dbraw/zinc/25/45/84/327254584.db2.gz CKZYYNVUHJJYDY-KKUMJFAQSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000573739765 327254588 /nfs/dbraw/zinc/25/45/88/327254588.db2.gz CKZYYNVUHJJYDY-KKUMJFAQSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000573739765 327254590 /nfs/dbraw/zinc/25/45/90/327254590.db2.gz CKZYYNVUHJJYDY-KKUMJFAQSA-N 2 2 288.432 0.408 20 0 CCADLP C[C@@H]1CC[C@H](CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000583371185 327329128 /nfs/dbraw/zinc/32/91/28/327329128.db2.gz JIEAJPBNRUTJNT-FRRDWIJNSA-N 2 2 268.405 0.707 20 0 CCADLP C[C@@H]1CC[C@H](CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000583371185 327329130 /nfs/dbraw/zinc/32/91/30/327329130.db2.gz JIEAJPBNRUTJNT-FRRDWIJNSA-N 2 2 268.405 0.707 20 0 CCADLP COC[C@]1(CNC(=O)[C@H]([NH3+])c2cscn2)CCC[NH2+]1 ZINC000578435101 327341641 /nfs/dbraw/zinc/34/16/41/327341641.db2.gz POPQUOZHOUASQK-ZYHUDNBSSA-N 2 2 284.385 0.028 20 0 CCADLP Cc1[nH]c(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)c[nH+]1 ZINC000579110142 327356525 /nfs/dbraw/zinc/35/65/25/327356525.db2.gz UDDYVUVNTMBAJN-ZETCQYMHSA-N 2 2 250.224 0.728 20 0 CCADLP Cn1cc[nH+]c1CN1CCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000574807868 327379446 /nfs/dbraw/zinc/37/94/46/327379446.db2.gz FDRILTZKXLZIDN-ZDUSSCGKSA-N 2 2 291.399 0.206 20 0 CCADLP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)C1C[NH2+]C1 ZINC000582354538 328968471 /nfs/dbraw/zinc/96/84/71/328968471.db2.gz ZZURFKHYBGQQDX-NSHDSACASA-N 3 2 261.373 0.511 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)c1cn(CCC[NH3+])nn1 ZINC000582724044 329130770 /nfs/dbraw/zinc/13/07/70/329130770.db2.gz ZTLGMIQVJFBXKW-UHFFFAOYSA-N 2 2 260.301 0.005 20 0 CCADLP COc1c(N)[nH+]cnc1NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000582796101 329207889 /nfs/dbraw/zinc/20/78/89/329207889.db2.gz JPETWBKBGMVCRH-SNVBAGLBSA-N 2 2 265.361 0.633 20 0 CCADLP COc1c(N)[nH+]cnc1NCC[N@H+]1CCC[C@@H](C)C1 ZINC000582796101 329207891 /nfs/dbraw/zinc/20/78/91/329207891.db2.gz JPETWBKBGMVCRH-SNVBAGLBSA-N 2 2 265.361 0.633 20 0 CCADLP O=C1NCCN1CC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000582809128 329236326 /nfs/dbraw/zinc/23/63/26/329236326.db2.gz HFRABSMUZKNDHN-UHFFFAOYSA-N 2 2 289.383 0.983 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000582905718 329284145 /nfs/dbraw/zinc/28/41/45/329284145.db2.gz BOGGRHXYPLBVIF-NSHDSACASA-N 2 2 260.403 0.353 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000582905718 329284146 /nfs/dbraw/zinc/28/41/46/329284146.db2.gz BOGGRHXYPLBVIF-NSHDSACASA-N 2 2 260.403 0.353 20 0 CCADLP C[C@H]([NH2+]CCOCC[NH3+])c1nc(C(C)(C)C)no1 ZINC000582846330 329276186 /nfs/dbraw/zinc/27/61/86/329276186.db2.gz JABZALPQALHMJE-VIFPVBQESA-N 2 2 256.350 0.993 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C2(C[NH3+])CCCC2)CCO1 ZINC000583026408 329299295 /nfs/dbraw/zinc/29/92/95/329299295.db2.gz BADKRQXNKYUWNO-GFCCVEGCSA-N 2 2 269.389 0.342 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2(C[NH3+])CCCC2)CCO1 ZINC000583026408 329299297 /nfs/dbraw/zinc/29/92/97/329299297.db2.gz BADKRQXNKYUWNO-GFCCVEGCSA-N 2 2 269.389 0.342 20 0 CCADLP C[N@H+](CCCCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC000583149096 329322881 /nfs/dbraw/zinc/32/28/81/329322881.db2.gz ARCPOWVTHXIFQL-UHFFFAOYSA-N 2 2 250.346 0.874 20 0 CCADLP C[N@@H+](CCCCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC000583149096 329322883 /nfs/dbraw/zinc/32/28/83/329322883.db2.gz ARCPOWVTHXIFQL-UHFFFAOYSA-N 2 2 250.346 0.874 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)n1C ZINC000583213966 329367562 /nfs/dbraw/zinc/36/75/62/329367562.db2.gz AFNAYAPLHIKAOY-SECBINFHSA-N 2 2 271.386 0.784 20 0 CCADLP CC[C@H](CSC)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000580532823 335107833 /nfs/dbraw/zinc/10/78/33/335107833.db2.gz IIBQCMAHGMSAMC-GHMZBOCLSA-N 2 2 274.434 0.412 20 0 CCADLP CC[C@H](CSC)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000580532823 335107834 /nfs/dbraw/zinc/10/78/34/335107834.db2.gz IIBQCMAHGMSAMC-GHMZBOCLSA-N 2 2 274.434 0.412 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NCCc2c[nH+]cn2C)C1 ZINC000575879820 335127693 /nfs/dbraw/zinc/12/76/93/335127693.db2.gz ANJKQPQYPAXOGJ-NSHDSACASA-N 2 2 250.346 0.421 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)NCCc2c[nH+]cn2C)C1 ZINC000575879820 335127694 /nfs/dbraw/zinc/12/76/94/335127694.db2.gz ANJKQPQYPAXOGJ-NSHDSACASA-N 2 2 250.346 0.421 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@H](C[NH3+])C2CCCCC2)[C@@H](C[NH3+])C1 ZINC000576134877 335159108 /nfs/dbraw/zinc/15/91/08/335159108.db2.gz RDGVCRAIDKYNEO-UONOGXRCSA-N 3 2 297.447 0.178 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[NH2+]Cc1ccn2cc[nH+]c2c1 ZINC000565535497 334571760 /nfs/dbraw/zinc/57/17/60/334571760.db2.gz IBTOZVMNOVNDGA-JSGCOSHPSA-N 2 2 293.367 0.836 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)C[C@@H](C)O1 ZINC000566123982 334625735 /nfs/dbraw/zinc/62/57/35/334625735.db2.gz FWCRVFJUMVFNJL-LWGJEFJTSA-N 2 2 268.401 0.845 20 0 CCADLP Cn1c[nH+]c(CC[NH2+]C[C@@](C)(O)C(F)(F)F)c1 ZINC000313277388 334763476 /nfs/dbraw/zinc/76/34/76/334763476.db2.gz DPWVHLTZBSPOQC-SECBINFHSA-N 2 2 251.252 0.866 20 0 CCADLP [NH3+][C@@H](C(=O)NCCC[NH+]1CCCC1)c1cscn1 ZINC000572840028 334882864 /nfs/dbraw/zinc/88/28/64/334882864.db2.gz JDTPNGDDWKLMKS-LLVKDONJSA-N 2 2 268.386 0.745 20 0 CCADLP CCCCNC(=O)[C@@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000576475672 335209179 /nfs/dbraw/zinc/20/91/79/335209179.db2.gz IXYWKQFNOLRCQG-GFCCVEGCSA-N 2 2 279.388 0.837 20 0 CCADLP [NH3+][C@H](C(=O)N1CC[NH+](CC2CC2)CC1)c1cscn1 ZINC000576634622 335228251 /nfs/dbraw/zinc/22/82/51/335228251.db2.gz XHPWQBIIKDTUFF-LBPRGKRZSA-N 2 2 280.397 0.697 20 0 CCADLP C[N@@H+]1CCC[C@@H](CCNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000576948601 335268337 /nfs/dbraw/zinc/26/83/37/335268337.db2.gz FZNOQLWMTOCHJS-AWEZNQCLSA-N 2 2 298.431 0.350 20 0 CCADLP C[N@H+]1CCC[C@@H](CCNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000576948601 335268338 /nfs/dbraw/zinc/26/83/38/335268338.db2.gz FZNOQLWMTOCHJS-AWEZNQCLSA-N 2 2 298.431 0.350 20 0 CCADLP CC(C)[C@](C)(C[NH3+])NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000580554882 335279569 /nfs/dbraw/zinc/27/95/69/335279569.db2.gz DTWURXJQQBFEEG-AWEZNQCLSA-N 2 2 288.355 0.766 20 0 CCADLP C[NH+]1CCC(CNC(=O)[C@H]([NH3+])c2cscn2)CC1 ZINC000580557554 335280255 /nfs/dbraw/zinc/28/02/55/335280255.db2.gz GIHQQQZKZMZABL-LLVKDONJSA-N 2 2 268.386 0.601 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3cc(O)cc(F)c3)CCN2C1=O ZINC000580570769 335285268 /nfs/dbraw/zinc/28/52/68/335285268.db2.gz LINLRHWGTKHOLL-YPMHNXCESA-N 2 2 279.315 0.275 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3cc(O)cc(F)c3)CCN2C1=O ZINC000580570769 335285269 /nfs/dbraw/zinc/28/52/69/335285269.db2.gz LINLRHWGTKHOLL-YPMHNXCESA-N 2 2 279.315 0.275 20 0 CCADLP [NH3+][C@@H]1CCC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC000577066528 335294473 /nfs/dbraw/zinc/29/44/73/335294473.db2.gz VJOWIZSVOCHUFE-NWDGAFQWSA-N 2 2 250.346 0.907 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000577222643 335325587 /nfs/dbraw/zinc/32/55/87/335325587.db2.gz PVVUNVCHYXHRRW-ZDUSSCGKSA-N 2 2 250.346 0.874 20 0 CCADLP C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)CC[NH2+]1 ZINC000577607932 335377289 /nfs/dbraw/zinc/37/72/89/335377289.db2.gz JMGDNBCTARPVSY-JTQLQIEISA-N 2 2 272.312 0.096 20 0 CCADLP C[NH+](C)CCOCCNC(=O)C[NH+]1CC(C)(C)C1 ZINC000578080774 335483057 /nfs/dbraw/zinc/48/30/57/335483057.db2.gz BMANGTCOVICHDP-UHFFFAOYSA-N 2 2 257.378 0.023 20 0 CCADLP C[C@H](CC(=O)NC1(CCO)CC[NH+](C)CC1)n1cc[nH+]c1 ZINC000578198101 335554074 /nfs/dbraw/zinc/55/40/74/335554074.db2.gz GWRPZZAFIOQQDN-CYBMUJFWSA-N 2 2 294.399 0.797 20 0 CCADLP NC(=O)c1c[nH+]ccc1N1CC[NH+](C2CCC2)CC1 ZINC000579821747 335892267 /nfs/dbraw/zinc/89/22/67/335892267.db2.gz OOGWCUFKKXAZNY-UHFFFAOYSA-N 2 2 260.341 0.855 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000581082248 336006252 /nfs/dbraw/zinc/00/62/52/336006252.db2.gz QHNHXSSXQZCOKB-NSHDSACASA-N 2 2 250.346 0.421 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000581082248 336006253 /nfs/dbraw/zinc/00/62/53/336006253.db2.gz QHNHXSSXQZCOKB-NSHDSACASA-N 2 2 250.346 0.421 20 0 CCADLP C[C@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C[NH+]1CCOCC1 ZINC000581140685 336014851 /nfs/dbraw/zinc/01/48/51/336014851.db2.gz OXYAOOPNDRDVJG-CHWSQXEVSA-N 2 2 294.399 0.673 20 0 CCADLP C[C@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C[NH+]1CCOCC1 ZINC000581140685 336014852 /nfs/dbraw/zinc/01/48/52/336014852.db2.gz OXYAOOPNDRDVJG-CHWSQXEVSA-N 2 2 294.399 0.673 20 0 CCADLP Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H](O)C[NH+](C)C)c(C)c1 ZINC000581310662 336045688 /nfs/dbraw/zinc/04/56/88/336045688.db2.gz JXOJZQHTPZJINR-HUUCEWRRSA-N 2 2 296.411 0.555 20 0 CCADLP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H](O)C[NH+](C)C)c(C)c1 ZINC000581310661 336045800 /nfs/dbraw/zinc/04/58/00/336045800.db2.gz JXOJZQHTPZJINR-GJZGRUSLSA-N 2 2 296.411 0.555 20 0 CCADLP C[NH2+]C[C@](C)(O)CN1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000581613219 336112387 /nfs/dbraw/zinc/11/23/87/336112387.db2.gz VTTUNPICBMCFTQ-ZBFHGGJFSA-N 2 2 292.427 0.731 20 0 CCADLP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000384250349 336123007 /nfs/dbraw/zinc/12/30/07/336123007.db2.gz LXSJQHLRRVXEFE-OLZOCXBDSA-N 2 2 283.416 0.602 20 0 CCADLP CN(C(=O)c1ccc(-n2cc[nH+]c2)nn1)[C@@H](C[NH3+])C1CC1 ZINC000581725247 336137963 /nfs/dbraw/zinc/13/79/63/336137963.db2.gz DHIXSYSYRBHWLO-LBPRGKRZSA-N 2 2 286.339 0.472 20 0 CCADLP C[N@H+](CC(=O)NCc1cccs1)C1CC([NH3+])C1 ZINC000385253395 336143179 /nfs/dbraw/zinc/14/31/79/336143179.db2.gz XHSBCHYFQNWRAS-UHFFFAOYSA-N 2 2 253.371 0.786 20 0 CCADLP C[N@@H+](CC(=O)NCc1cccs1)C1CC([NH3+])C1 ZINC000385253395 336143180 /nfs/dbraw/zinc/14/31/80/336143180.db2.gz XHSBCHYFQNWRAS-UHFFFAOYSA-N 2 2 253.371 0.786 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)oc1C ZINC000358297505 533822996 /nfs/dbraw/zinc/82/29/96/533822996.db2.gz KPDJDGYDBLYVJU-AWEZNQCLSA-N 2 2 282.340 0.531 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)oc1C ZINC000358297505 533822999 /nfs/dbraw/zinc/82/29/99/533822999.db2.gz KPDJDGYDBLYVJU-AWEZNQCLSA-N 2 2 282.340 0.531 20 0 CCADLP CCC[C@H]1C[NH2+]CCN1C(=O)NCc1c[nH+]cn1C ZINC000418213142 545094460 /nfs/dbraw/zinc/09/44/60/545094460.db2.gz ICKWQODPWCXPSK-NSHDSACASA-N 2 2 265.361 0.704 20 0 CCADLP C[C@H](C[NH3+])CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000417924868 534046319 /nfs/dbraw/zinc/04/63/19/534046319.db2.gz MUUWHQUCJMAKAQ-NEPJUHHUSA-N 2 2 277.372 0.554 20 0 CCADLP C[C@H](C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)CS(C)(=O)=O ZINC000428033387 534069610 /nfs/dbraw/zinc/06/96/10/534069610.db2.gz MMBVGLORRJCWLQ-WOPDTQHZSA-N 2 2 260.403 0.351 20 0 CCADLP C[C@H](C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)CS(C)(=O)=O ZINC000428033387 534069614 /nfs/dbraw/zinc/06/96/14/534069614.db2.gz MMBVGLORRJCWLQ-WOPDTQHZSA-N 2 2 260.403 0.351 20 0 CCADLP C[C@H](O)C[N@H+](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000361512735 534070409 /nfs/dbraw/zinc/07/04/09/534070409.db2.gz PNSNTKOHDDXJIW-ZDUSSCGKSA-N 2 2 295.383 0.236 20 0 CCADLP C[C@H](O)C[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000361512735 534070413 /nfs/dbraw/zinc/07/04/13/534070413.db2.gz PNSNTKOHDDXJIW-ZDUSSCGKSA-N 2 2 295.383 0.236 20 0 CCADLP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000423520793 517637156 /nfs/dbraw/zinc/63/71/56/517637156.db2.gz KMRZJFSURLXFIK-RYUDHWBXSA-N 2 2 257.378 0.211 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000366321634 519525334 /nfs/dbraw/zinc/52/53/34/519525334.db2.gz HTMZEMVBGWAGSR-CYBMUJFWSA-N 2 2 268.336 0.857 20 0 CCADLP CC(C)NC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150844753 519707343 /nfs/dbraw/zinc/70/73/43/519707343.db2.gz SRKZXXXSSBPVNX-CYBMUJFWSA-N 2 2 253.390 0.929 20 0 CCADLP CC(C)NC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150844753 519707344 /nfs/dbraw/zinc/70/73/44/519707344.db2.gz SRKZXXXSSBPVNX-CYBMUJFWSA-N 2 2 253.390 0.929 20 0 CCADLP CC(=O)Nc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000068800429 519717371 /nfs/dbraw/zinc/71/73/71/519717371.db2.gz LCYIRHVJDUOLLI-MRXNPFEDSA-N 2 2 290.411 0.980 20 0 CCADLP CC(=O)Nc1ccc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000068800429 519717374 /nfs/dbraw/zinc/71/73/74/519717374.db2.gz LCYIRHVJDUOLLI-MRXNPFEDSA-N 2 2 290.411 0.980 20 0 CCADLP [NH3+]CC(F)(F)CNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000418522204 534577606 /nfs/dbraw/zinc/57/76/06/534577606.db2.gz IHBZAXACJMMYQM-UHFFFAOYSA-N 2 2 299.325 0.507 20 0 CCADLP CC(C)(C)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362664685 534605930 /nfs/dbraw/zinc/60/59/30/534605930.db2.gz CEYPIZQIYYQFLS-LBPRGKRZSA-N 2 2 253.390 0.929 20 0 CCADLP CC(C)(C)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362664685 534605939 /nfs/dbraw/zinc/60/59/39/534605939.db2.gz CEYPIZQIYYQFLS-LBPRGKRZSA-N 2 2 253.390 0.929 20 0 CCADLP COC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccco1 ZINC000184513682 522732348 /nfs/dbraw/zinc/73/23/48/522732348.db2.gz GNPMMAFHOPQUPT-LBPRGKRZSA-N 2 2 281.356 0.331 20 0 CCADLP COCCCNC(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000364868442 523323985 /nfs/dbraw/zinc/32/39/85/523323985.db2.gz YNXHSBFRECNAQD-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP COCCCNC(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000364868442 523323994 /nfs/dbraw/zinc/32/39/94/523323994.db2.gz YNXHSBFRECNAQD-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP CO[C@@H](C)C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000183792424 523412957 /nfs/dbraw/zinc/41/29/57/523412957.db2.gz BVNUBSAKBIYWFN-NSHDSACASA-N 2 2 250.346 0.942 20 0 CCADLP C[C@@H](C(=O)N1CCC[C@@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000357535197 524115335 /nfs/dbraw/zinc/11/53/35/524115335.db2.gz YXRNJWGDVLHBFG-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)C1C[NH2+]C1 ZINC000163834568 524128957 /nfs/dbraw/zinc/12/89/57/524128957.db2.gz KWVXAXFZISQYOL-GFCCVEGCSA-N 2 2 274.368 0.586 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000052881822 524353420 /nfs/dbraw/zinc/35/34/20/524353420.db2.gz RJFYKMOQDOIKNK-CZUORRHYSA-N 2 2 291.395 0.697 20 0 CCADLP C[C@]([NH3+])(C(=O)NCCn1cc[nH+]c1)c1ccccc1 ZINC000052882781 525144737 /nfs/dbraw/zinc/14/47/37/525144737.db2.gz IPGUOSVSDPHSBO-CQSZACIVSA-N 2 2 258.325 0.873 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1nc[nH+]c2c1OCCN2 ZINC000665709750 545104742 /nfs/dbraw/zinc/10/47/42/545104742.db2.gz LYYMAVMBPIWTBL-VHSXEESVSA-N 2 2 263.345 0.810 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1nc[nH+]c2c1OCCN2 ZINC000665709750 545104743 /nfs/dbraw/zinc/10/47/43/545104743.db2.gz LYYMAVMBPIWTBL-VHSXEESVSA-N 2 2 263.345 0.810 20 0 CCADLP C[N@@H+]1CCO[C@@H]2CCN(c3nc[nH+]c4c3OCCN4)C[C@H]21 ZINC000665717749 545105112 /nfs/dbraw/zinc/10/51/12/545105112.db2.gz CITPIJXHVUNIJJ-GHMZBOCLSA-N 2 2 291.355 0.190 20 0 CCADLP C[N@H+]1CCO[C@@H]2CCN(c3nc[nH+]c4c3OCCN4)C[C@H]21 ZINC000665717749 545105113 /nfs/dbraw/zinc/10/51/13/545105113.db2.gz CITPIJXHVUNIJJ-GHMZBOCLSA-N 2 2 291.355 0.190 20 0 CCADLP C[N@@H+]1CC[C@@]2(CCN(c3nc[nH+]c4c3OCCN4)C2)C1 ZINC000665720596 545105551 /nfs/dbraw/zinc/10/55/51/545105551.db2.gz QBQJAAYXFJYIHQ-CQSZACIVSA-N 2 2 275.356 0.813 20 0 CCADLP C[N@H+]1CC[C@@]2(CCN(c3nc[nH+]c4c3OCCN4)C2)C1 ZINC000665720596 545105552 /nfs/dbraw/zinc/10/55/52/545105552.db2.gz QBQJAAYXFJYIHQ-CQSZACIVSA-N 2 2 275.356 0.813 20 0 CCADLP COC(=O)CC[C@@H]([NH3+])C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000516568648 536459559 /nfs/dbraw/zinc/45/95/59/536459559.db2.gz QSBKCEXFUDQMLT-GFCCVEGCSA-N 2 2 279.340 0.595 20 0 CCADLP CC(C)(C[NH3+])NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000417921570 527075892 /nfs/dbraw/zinc/07/58/92/527075892.db2.gz HQPCKGGCOXNSLE-NSHDSACASA-N 2 2 277.372 0.697 20 0 CCADLP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000308636409 527079736 /nfs/dbraw/zinc/07/97/36/527079736.db2.gz RPWXUJPZVZHWOV-CQSZACIVSA-N 2 2 285.432 0.144 20 0 CCADLP COCCNC(=O)C1CC[NH+](Cc2c[nH+]c(C)n2C)CC1 ZINC000667494417 545148935 /nfs/dbraw/zinc/14/89/35/545148935.db2.gz ZMZGXRYZNHMIPB-UHFFFAOYSA-N 2 2 294.399 0.703 20 0 CCADLP NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668042222 545162019 /nfs/dbraw/zinc/16/20/19/545162019.db2.gz NHPPBEXRYLRJGQ-JKOKRWQUSA-N 2 2 274.368 0.915 20 0 CCADLP NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668042222 545162020 /nfs/dbraw/zinc/16/20/20/545162020.db2.gz NHPPBEXRYLRJGQ-JKOKRWQUSA-N 2 2 274.368 0.915 20 0 CCADLP c1cn(C[C@@H]2CC[N@H+](Cc3c[nH+]c4n3CCC4)C2)nn1 ZINC000668454055 545178182 /nfs/dbraw/zinc/17/81/82/545178182.db2.gz WVZLKLDLILPTNL-GFCCVEGCSA-N 2 2 272.356 0.943 20 0 CCADLP c1cn(C[C@@H]2CC[N@@H+](Cc3c[nH+]c4n3CCC4)C2)nn1 ZINC000668454055 545178183 /nfs/dbraw/zinc/17/81/83/545178183.db2.gz WVZLKLDLILPTNL-GFCCVEGCSA-N 2 2 272.356 0.943 20 0 CCADLP C[N@@H+](Cc1cc(C(N)=O)cs1)CC1C[NH+](C)C1 ZINC000668539624 545180943 /nfs/dbraw/zinc/18/09/43/545180943.db2.gz FNEIMNVFOUPPJB-UHFFFAOYSA-N 2 2 253.371 0.840 20 0 CCADLP C[N@H+](Cc1cc(C(N)=O)cs1)CC1C[NH+](C)C1 ZINC000668539624 545180944 /nfs/dbraw/zinc/18/09/44/545180944.db2.gz FNEIMNVFOUPPJB-UHFFFAOYSA-N 2 2 253.371 0.840 20 0 CCADLP COc1cccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000668565026 545181915 /nfs/dbraw/zinc/18/19/15/545181915.db2.gz HULKLWNQVQSBFG-ZDUSSCGKSA-N 2 2 292.383 0.480 20 0 CCADLP COc1cccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000668565026 545181916 /nfs/dbraw/zinc/18/19/16/545181916.db2.gz HULKLWNQVQSBFG-ZDUSSCGKSA-N 2 2 292.383 0.480 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC3(COC3)C2)n1C ZINC000668719284 545188841 /nfs/dbraw/zinc/18/88/41/545188841.db2.gz SZBWPEPXNOECFY-UHFFFAOYSA-N 2 2 250.346 0.708 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2CCC3(COC3)C2)n1C ZINC000668719284 545188842 /nfs/dbraw/zinc/18/88/42/545188842.db2.gz SZBWPEPXNOECFY-UHFFFAOYSA-N 2 2 250.346 0.708 20 0 CCADLP Cc1cnn(C)c1C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000668792592 545190749 /nfs/dbraw/zinc/19/07/49/545190749.db2.gz CYFNERYATYUJSJ-UHFFFAOYSA-N 2 2 274.372 0.784 20 0 CCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)NC[C@@H](C)[NH3+] ZINC000668793119 545190952 /nfs/dbraw/zinc/19/09/52/545190952.db2.gz JKIMYVYPCDVWFW-SNVBAGLBSA-N 2 2 275.356 0.991 20 0 CCADLP CC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1COC1 ZINC000451282819 527905559 /nfs/dbraw/zinc/90/55/59/527905559.db2.gz FTFLRZJGPXXETO-UHFFFAOYSA-N 2 2 281.400 0.450 20 0 CCADLP CC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1COC1 ZINC000451282819 527905565 /nfs/dbraw/zinc/90/55/65/527905565.db2.gz FTFLRZJGPXXETO-UHFFFAOYSA-N 2 2 281.400 0.450 20 0 CCADLP CCN1C[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)CC1=O ZINC000449519873 527950224 /nfs/dbraw/zinc/95/02/24/527950224.db2.gz RBEFLULGJRKJMS-JTQLQIEISA-N 2 2 282.413 0.915 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669323311 545205343 /nfs/dbraw/zinc/20/53/43/545205343.db2.gz LZBISCUJVBFAED-MGPQQGTHSA-N 2 2 296.415 0.101 20 0 CCADLP [NH3+]C/C=C\CNC(=O)NCCCNc1cccc[nH+]1 ZINC000669387965 545206346 /nfs/dbraw/zinc/20/63/46/545206346.db2.gz BONKMGGOOPTHEM-RQOWECAXSA-N 2 2 263.345 0.698 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000669457118 545208593 /nfs/dbraw/zinc/20/85/93/545208593.db2.gz QBQJUJNXHNBIDN-ZDUSSCGKSA-N 2 2 298.431 0.539 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000669457118 545208594 /nfs/dbraw/zinc/20/85/94/545208594.db2.gz QBQJUJNXHNBIDN-ZDUSSCGKSA-N 2 2 298.431 0.539 20 0 CCADLP C[C@H]([C@H](C)NC(=O)NC[C@H]1CCCC[NH2+]1)[NH+]1CCOCC1 ZINC000669463897 545208759 /nfs/dbraw/zinc/20/87/59/545208759.db2.gz AZMUYUCWEYCXBA-BFHYXJOUSA-N 2 2 298.431 0.537 20 0 CCADLP CCNC(=O)N1CC[C@H]([NH2+][C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000358284109 528155339 /nfs/dbraw/zinc/15/53/39/528155339.db2.gz DWLLMROCIQVMRZ-GRYCIOLGSA-N 2 2 254.378 0.330 20 0 CCADLP CCNC(=O)N1CC[C@H]([NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000358284109 528155349 /nfs/dbraw/zinc/15/53/49/528155349.db2.gz DWLLMROCIQVMRZ-GRYCIOLGSA-N 2 2 254.378 0.330 20 0 CCADLP CCC[C@H]([NH3+])C(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000423870076 528162732 /nfs/dbraw/zinc/16/27/32/528162732.db2.gz ONCLLROFHNLCRO-KBPBESRZSA-N 2 2 283.416 0.683 20 0 CCADLP CCC[C@H]([NH3+])C(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000423870076 528162734 /nfs/dbraw/zinc/16/27/34/528162734.db2.gz ONCLLROFHNLCRO-KBPBESRZSA-N 2 2 283.416 0.683 20 0 CCADLP CC1CC[NH+](CCN(C)C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000305178129 528240981 /nfs/dbraw/zinc/24/09/81/528240981.db2.gz VSKNCMSTRJIYMX-MRXNPFEDSA-N 2 2 299.459 0.343 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442764828 528297834 /nfs/dbraw/zinc/29/78/34/528297834.db2.gz IFOZSCUHGDNVBN-NEPJUHHUSA-N 2 2 262.419 0.869 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442764828 528297836 /nfs/dbraw/zinc/29/78/36/528297836.db2.gz IFOZSCUHGDNVBN-NEPJUHHUSA-N 2 2 262.419 0.869 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CCO1 ZINC000669689374 545219174 /nfs/dbraw/zinc/21/91/74/545219174.db2.gz KBDCREULYYXBBM-PMPSAXMXSA-N 2 2 297.443 0.238 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000423684634 528476259 /nfs/dbraw/zinc/47/62/59/528476259.db2.gz RPGJDJGFRWWPJK-SDDRHHMPSA-N 2 2 257.378 0.339 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000423684634 528476264 /nfs/dbraw/zinc/47/62/64/528476264.db2.gz RPGJDJGFRWWPJK-SDDRHHMPSA-N 2 2 257.378 0.339 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]C1CC(CC(=O)OC)C1 ZINC000424282170 528549794 /nfs/dbraw/zinc/54/97/94/528549794.db2.gz PCAPYGFQEVJEAL-UHFFFAOYSA-N 2 2 258.362 0.232 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]C1CC(CC(=O)OC)C1 ZINC000424282170 528549797 /nfs/dbraw/zinc/54/97/97/528549797.db2.gz PCAPYGFQEVJEAL-UHFFFAOYSA-N 2 2 258.362 0.232 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000449139262 528549961 /nfs/dbraw/zinc/54/99/61/528549961.db2.gz AGEIYIZFMALYKQ-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)N=c1ccn(CC[NH+](C)C)[nH]1 ZINC000449337164 528553192 /nfs/dbraw/zinc/55/31/92/528553192.db2.gz AGINESHXSJNLIF-LLVKDONJSA-N 2 2 267.377 0.193 20 0 CCADLP C[C@@H](NC(=O)c1ccc2c[nH+]cn2c1)[C@@H]1C[N@H+](C)CCO1 ZINC000670810596 545239557 /nfs/dbraw/zinc/23/95/57/545239557.db2.gz YMLBEHQMPQKHAH-RISCZKNCSA-N 2 2 288.351 0.783 20 0 CCADLP C[C@@H](NC(=O)c1ccc2c[nH+]cn2c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670810596 545239558 /nfs/dbraw/zinc/23/95/58/545239558.db2.gz YMLBEHQMPQKHAH-RISCZKNCSA-N 2 2 288.351 0.783 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)N(C)CC[NH+]1CCOCC1 ZINC000423741127 528649036 /nfs/dbraw/zinc/64/90/36/528649036.db2.gz HBQNKYPKSWORIT-UHFFFAOYSA-N 2 2 271.405 0.542 20 0 CCADLP CCOCC[N@@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000492865615 528728719 /nfs/dbraw/zinc/72/87/19/528728719.db2.gz PAIJTJRNIQHSEW-MUBLQREKSA-N 2 2 292.383 0.992 20 0 CCADLP CCOCC[N@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000492865615 528728724 /nfs/dbraw/zinc/72/87/24/528728724.db2.gz PAIJTJRNIQHSEW-MUBLQREKSA-N 2 2 292.383 0.992 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493619704 528729308 /nfs/dbraw/zinc/72/93/08/528729308.db2.gz JHOWAUZVPFUFGK-ONEGZZNKSA-N 2 2 278.356 0.604 20 0 CCADLP CCC(CC)[C@H](C(=O)N[C@H](C)[C@@H](C)[NH3+])[NH+]1CCOCC1 ZINC000449605646 528843102 /nfs/dbraw/zinc/84/31/02/528843102.db2.gz WTAVPJAZHGHVQC-YRGRVCCFSA-N 2 2 285.432 0.975 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@@H]1CC[NH2+]CC1(F)F)[C@H](C)[NH3+] ZINC000423690885 528920079 /nfs/dbraw/zinc/92/00/79/528920079.db2.gz DVDUWTRAKCWQRU-DCAQKATOSA-N 2 2 277.359 0.967 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000672688028 545271390 /nfs/dbraw/zinc/27/13/90/545271390.db2.gz UBDKNNDHAPVEIO-UHFFFAOYSA-N 2 2 285.351 0.706 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673869132 545294054 /nfs/dbraw/zinc/29/40/54/545294054.db2.gz MKPOYBWNAYDRCJ-UHFFFAOYSA-N 2 2 291.359 0.500 20 0 CCADLP CCN(CC)C(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000673896239 545294797 /nfs/dbraw/zinc/29/47/97/545294797.db2.gz XIFNNKOOXHKOJO-UHFFFAOYSA-N 2 2 265.361 0.400 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)NC[C@@H](C)C[NH2+]C)CCO1 ZINC000418381506 529292692 /nfs/dbraw/zinc/29/26/92/529292692.db2.gz HYSYWOKEBVFMGA-STQMWFEESA-N 2 2 286.420 0.252 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)NC[C@@H](C)C[NH2+]C)CCO1 ZINC000418381506 529292693 /nfs/dbraw/zinc/29/26/93/529292693.db2.gz HYSYWOKEBVFMGA-STQMWFEESA-N 2 2 286.420 0.252 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)N[C@@H](C[NH3+])C2CC2)CCO1 ZINC000418405404 529294139 /nfs/dbraw/zinc/29/41/39/529294139.db2.gz RCBYSOSULONLTH-STQMWFEESA-N 2 2 284.404 0.134 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)N[C@@H](C[NH3+])C2CC2)CCO1 ZINC000418405404 529294141 /nfs/dbraw/zinc/29/41/41/529294141.db2.gz RCBYSOSULONLTH-STQMWFEESA-N 2 2 284.404 0.134 20 0 CCADLP CCCCCNC(=O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357719909 535047155 /nfs/dbraw/zinc/04/71/55/535047155.db2.gz DJJJPFQXGAMXRW-UHFFFAOYSA-N 2 2 285.432 0.681 20 0 CCADLP CCCCCNC(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357719909 535047164 /nfs/dbraw/zinc/04/71/64/535047164.db2.gz DJJJPFQXGAMXRW-UHFFFAOYSA-N 2 2 285.432 0.681 20 0 CCADLP CC(C)[C@@H](CNC(=O)C[NH2+]CC1CC1)[NH+]1CCOCC1 ZINC000262671111 535187349 /nfs/dbraw/zinc/18/73/49/535187349.db2.gz OHHDETZODOBCBI-CQSZACIVSA-N 2 2 283.416 0.459 20 0 CCADLP COCCC[C@@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000675782783 545331436 /nfs/dbraw/zinc/33/14/36/545331436.db2.gz XYVCYOIGEXVOMM-GFCCVEGCSA-N 2 2 257.378 0.165 20 0 CCADLP Cc1nc(N2CCN(c3cc[nH+]cc3)CC2)nc(N(C)C)[nH+]1 ZINC000676077270 545334383 /nfs/dbraw/zinc/33/43/83/545334383.db2.gz SIYIJWZMQLVBCE-UHFFFAOYSA-N 2 2 299.382 0.968 20 0 CCADLP Cc1nc(N(C)C)nc(N2CCN(c3cc[nH+]cc3)CC2)[nH+]1 ZINC000676077270 545334384 /nfs/dbraw/zinc/33/43/84/545334384.db2.gz SIYIJWZMQLVBCE-UHFFFAOYSA-N 2 2 299.382 0.968 20 0 CCADLP CCOCCCNC(=O)C1CC[NH+](CC[NH3+])CC1 ZINC000345519682 535530096 /nfs/dbraw/zinc/53/00/96/535530096.db2.gz GISWDMIXIOOUJO-UHFFFAOYSA-N 2 2 257.378 0.200 20 0 CCADLP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676286897 545339790 /nfs/dbraw/zinc/33/97/90/545339790.db2.gz JHAKOJWQKOEOFR-NEPJUHHUSA-N 2 2 266.345 0.109 20 0 CCADLP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676286897 545339791 /nfs/dbraw/zinc/33/97/91/545339791.db2.gz JHAKOJWQKOEOFR-NEPJUHHUSA-N 2 2 266.345 0.109 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@](C)(C[NH3+])C2)CC1 ZINC000261606555 535638360 /nfs/dbraw/zinc/63/83/60/535638360.db2.gz ASJXUPBMOUCESS-DZGCQCFKSA-N 3 2 282.432 0.210 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@](C)(C[NH3+])C2)CC1 ZINC000261606555 535638364 /nfs/dbraw/zinc/63/83/64/535638364.db2.gz ASJXUPBMOUCESS-DZGCQCFKSA-N 3 2 282.432 0.210 20 0 CCADLP CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000676842981 545353497 /nfs/dbraw/zinc/35/34/97/545353497.db2.gz LAPCHMQYRXSKSL-GXTWGEPZSA-N 2 2 292.383 0.282 20 0 CCADLP CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000676842981 545353498 /nfs/dbraw/zinc/35/34/98/545353498.db2.gz LAPCHMQYRXSKSL-GXTWGEPZSA-N 2 2 292.383 0.282 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NCCNc2cccc[nH+]2)C1 ZINC000370025702 535762255 /nfs/dbraw/zinc/76/22/55/535762255.db2.gz JSHSCJYBOVXEJW-LBPRGKRZSA-N 2 2 278.356 0.330 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NCCNc2cccc[nH+]2)C1 ZINC000370025702 535762261 /nfs/dbraw/zinc/76/22/61/535762261.db2.gz JSHSCJYBOVXEJW-LBPRGKRZSA-N 2 2 278.356 0.330 20 0 CCADLP Cc1[nH+]ccn1CCCN1CC[NH+](C(C)(C)CO)CC1 ZINC000677818959 545373379 /nfs/dbraw/zinc/37/33/79/545373379.db2.gz MEGGNKGCUGVTBA-UHFFFAOYSA-N 2 2 280.416 0.970 20 0 CCADLP Cc1[nH+]ccn1CCC[NH+]1CCN(C(C)(C)CO)CC1 ZINC000677818959 545373380 /nfs/dbraw/zinc/37/33/80/545373380.db2.gz MEGGNKGCUGVTBA-UHFFFAOYSA-N 2 2 280.416 0.970 20 0 CCADLP C[C@@H]1C[N@H+](Cc2cn[nH]c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000678286450 545388436 /nfs/dbraw/zinc/38/84/36/545388436.db2.gz XHSAURALBWPXFL-HIFRSBDPSA-N 2 2 277.416 0.868 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2cn[nH]c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000678286450 545388437 /nfs/dbraw/zinc/38/84/37/545388437.db2.gz XHSAURALBWPXFL-HIFRSBDPSA-N 2 2 277.416 0.868 20 0 CCADLP CC(C)(C[NH2+]CC[NH+]1CCCC1)N1CCOCC1 ZINC000678994004 545400924 /nfs/dbraw/zinc/40/09/24/545400924.db2.gz BGZQHGHHTNALHO-UHFFFAOYSA-N 2 2 255.406 0.783 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@H](O)CCc1ccccc1 ZINC000514598186 536410359 /nfs/dbraw/zinc/41/03/59/536410359.db2.gz GXPCGAVLVPZIMO-DLBZAZTESA-N 2 2 291.439 0.816 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@H](O)CCc1ccccc1 ZINC000514598186 536410360 /nfs/dbraw/zinc/41/03/60/536410360.db2.gz GXPCGAVLVPZIMO-DLBZAZTESA-N 2 2 291.439 0.816 20 0 CCADLP C[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C[C@H]1F ZINC000679184430 545403338 /nfs/dbraw/zinc/40/33/38/545403338.db2.gz WZRTWRRHSQUPDI-JHJVBQTASA-N 2 2 299.390 0.746 20 0 CCADLP C[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C[C@H]1F ZINC000679184430 545403339 /nfs/dbraw/zinc/40/33/39/545403339.db2.gz WZRTWRRHSQUPDI-JHJVBQTASA-N 2 2 299.390 0.746 20 0 CCADLP COC(=O)c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)nc1 ZINC000261717184 536674916 /nfs/dbraw/zinc/67/49/16/536674916.db2.gz JWSWMGSNAIDTDQ-WCQYABFASA-N 2 2 275.352 0.910 20 0 CCADLP COC(=O)c1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)nc1 ZINC000261717184 536674921 /nfs/dbraw/zinc/67/49/21/536674921.db2.gz JWSWMGSNAIDTDQ-WCQYABFASA-N 2 2 275.352 0.910 20 0 CCADLP CC[N@@H+]1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)C[C@@H]1C ZINC000679890093 545417827 /nfs/dbraw/zinc/41/78/27/545417827.db2.gz LHMXEBLBVAUFQX-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP CC[N@H+]1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)C[C@@H]1C ZINC000679890093 545417828 /nfs/dbraw/zinc/41/78/28/545417828.db2.gz LHMXEBLBVAUFQX-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP COCC[NH+]1CCC([N@H+](C)[C@@H](C)C[S@](C)=O)CC1 ZINC000362069338 536858648 /nfs/dbraw/zinc/85/86/48/536858648.db2.gz UKMSRQDBMQQMJA-SGTLLEGYSA-N 2 2 276.446 0.796 20 0 CCADLP COCC[NH+]1CCC([N@@H+](C)[C@@H](C)C[S@](C)=O)CC1 ZINC000362069338 536858654 /nfs/dbraw/zinc/85/86/54/536858654.db2.gz UKMSRQDBMQQMJA-SGTLLEGYSA-N 2 2 276.446 0.796 20 0 CCADLP Cc1cncc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)c1 ZINC000681052789 545440938 /nfs/dbraw/zinc/44/09/38/545440938.db2.gz UERTVBKCQOVDBB-CYBMUJFWSA-N 2 2 276.384 0.815 20 0 CCADLP CC[N@H+](CC(=O)Nc1cc[nH+]cc1N(C)C)C1CC1 ZINC000681358124 545451854 /nfs/dbraw/zinc/45/18/54/545451854.db2.gz QKVKWMSGYLCKBW-UHFFFAOYSA-N 2 2 262.357 0.992 20 0 CCADLP CC[N@@H+](CC(=O)Nc1cc[nH+]cc1N(C)C)C1CC1 ZINC000681358124 545451855 /nfs/dbraw/zinc/45/18/55/545451855.db2.gz QKVKWMSGYLCKBW-UHFFFAOYSA-N 2 2 262.357 0.992 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000681754379 545461590 /nfs/dbraw/zinc/46/15/90/545461590.db2.gz CVSCLBRFIRIBNC-VXGBXAGGSA-N 2 2 262.357 0.798 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000681754379 545461591 /nfs/dbraw/zinc/46/15/91/545461591.db2.gz CVSCLBRFIRIBNC-VXGBXAGGSA-N 2 2 262.357 0.798 20 0 CCADLP Cc1[nH+]ccn1CCN1CC[N@H+](CCO)C(C)(C)C1 ZINC000682032806 545470831 /nfs/dbraw/zinc/47/08/31/545470831.db2.gz KWJVUALKYMMRQL-UHFFFAOYSA-N 2 2 266.389 0.580 20 0 CCADLP Cc1[nH+]ccn1CCN1CC[N@@H+](CCO)C(C)(C)C1 ZINC000682032806 545470832 /nfs/dbraw/zinc/47/08/32/545470832.db2.gz KWJVUALKYMMRQL-UHFFFAOYSA-N 2 2 266.389 0.580 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCN(CCO)C(C)(C)C1 ZINC000682032806 545470833 /nfs/dbraw/zinc/47/08/33/545470833.db2.gz KWJVUALKYMMRQL-UHFFFAOYSA-N 2 2 266.389 0.580 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCN(CCO)C(C)(C)C1 ZINC000682032806 545470834 /nfs/dbraw/zinc/47/08/34/545470834.db2.gz KWJVUALKYMMRQL-UHFFFAOYSA-N 2 2 266.389 0.580 20 0 CCADLP COC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)C1CCOCC1 ZINC000682138208 545473316 /nfs/dbraw/zinc/47/33/16/545473316.db2.gz JLJVJYSDPCJFGP-UBHSHLNASA-N 2 2 256.390 0.968 20 0 CCADLP COC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)C1CCOCC1 ZINC000682138208 545473317 /nfs/dbraw/zinc/47/33/17/545473317.db2.gz JLJVJYSDPCJFGP-UBHSHLNASA-N 2 2 256.390 0.968 20 0 CCADLP O=C(NCCn1cc[nH+]c1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682456553 545479606 /nfs/dbraw/zinc/47/96/06/545479606.db2.gz FHKMFWAFNOHZDC-LLVKDONJSA-N 2 2 259.313 0.458 20 0 CCADLP CC[N@@H+]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000682495552 545480669 /nfs/dbraw/zinc/48/06/69/545480669.db2.gz 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O[C@@H](C[NH+]1CCCC1)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000778309036 581150567 /nfs/dbraw/zinc/15/05/67/581150567.db2.gz QBUSQYZKNCOTHV-NSHDSACASA-N 2 2 278.343 0.535 20 0 CCADLP COCCO[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000781964425 581283053 /nfs/dbraw/zinc/28/30/53/581283053.db2.gz UCVQBCKATVVJCV-ZIAGYGMSSA-N 2 2 272.389 0.180 20 0 CCADLP COCCO[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000781964425 581283055 /nfs/dbraw/zinc/28/30/55/581283055.db2.gz UCVQBCKATVVJCV-ZIAGYGMSSA-N 2 2 272.389 0.180 20 0 CCADLP Cn1c[nH+]cc1CCOC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000793251602 581289603 /nfs/dbraw/zinc/28/96/03/581289603.db2.gz HMLRPCVHZPDSBE-LBPRGKRZSA-N 2 2 283.397 0.943 20 0 CCADLP Cn1c[nH+]cc1CCOC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000793251602 581289604 /nfs/dbraw/zinc/28/96/04/581289604.db2.gz HMLRPCVHZPDSBE-LBPRGKRZSA-N 2 2 283.397 0.943 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000793290314 581292154 /nfs/dbraw/zinc/29/21/54/581292154.db2.gz 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ZINC000782962365 581328947 /nfs/dbraw/zinc/32/89/47/581328947.db2.gz RNNRIDNXCAHQKI-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)NCC2([NH+](C)C)CCC2)CCO1 ZINC000782962365 581328950 /nfs/dbraw/zinc/32/89/50/581328950.db2.gz RNNRIDNXCAHQKI-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000796378535 581439064 /nfs/dbraw/zinc/43/90/64/581439064.db2.gz RMWWINLZQBKMFD-OWCLPIDISA-N 2 2 297.443 0.238 20 0 CCADLP C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000796378535 581439066 /nfs/dbraw/zinc/43/90/66/581439066.db2.gz RMWWINLZQBKMFD-OWCLPIDISA-N 2 2 297.443 0.238 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C[C@H](O)C[NH+]1CCCC1 ZINC000796378535 581439068 /nfs/dbraw/zinc/43/90/68/581439068.db2.gz RMWWINLZQBKMFD-OWCLPIDISA-N 2 2 297.443 0.238 20 0 CCADLP COc1c[nH+]ccc1N1CC[NH+](CC2OCCO2)CC1 ZINC000796573698 581444254 /nfs/dbraw/zinc/44/42/54/581444254.db2.gz AYWZBMZFAKFMLV-UHFFFAOYSA-N 2 2 279.340 0.585 20 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CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000743272544 581806266 /nfs/dbraw/zinc/80/62/66/581806266.db2.gz XYQVKCKOIGIWRA-HUUCEWRRSA-N 2 2 297.443 0.776 20 0 CCADLP CCN(CC)C(=O)[C@H]1CCC[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000743272544 581806270 /nfs/dbraw/zinc/80/62/70/581806270.db2.gz XYQVKCKOIGIWRA-HUUCEWRRSA-N 2 2 297.443 0.776 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@H+](CN2C(=O)CC23CCC3)C1 ZINC000743366437 581809584 /nfs/dbraw/zinc/80/95/84/581809584.db2.gz JTOXHBADNHFYIE-LBPRGKRZSA-N 2 2 251.374 0.982 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@@H+](CN2C(=O)CC23CCC3)C1 ZINC000743366437 581809586 /nfs/dbraw/zinc/80/95/86/581809586.db2.gz JTOXHBADNHFYIE-LBPRGKRZSA-N 2 2 251.374 0.982 20 0 CCADLP COC(=O)c1ncn(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000738158159 582025970 /nfs/dbraw/zinc/02/59/70/582025970.db2.gz KZHZBSJZAMKICQ-NSHDSACASA-N 2 2 290.327 0.556 20 0 CCADLP COC(=O)c1ncn(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000738158159 582025971 /nfs/dbraw/zinc/02/59/71/582025971.db2.gz KZHZBSJZAMKICQ-NSHDSACASA-N 2 2 290.327 0.556 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)OCCC[NH+]1CCOCC1 ZINC000750891403 582063268 /nfs/dbraw/zinc/06/32/68/582063268.db2.gz QIWYUXLDTIXATQ-ZDUSSCGKSA-N 2 2 270.373 0.736 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)OCCC[NH+]1CCOCC1 ZINC000750891403 582063270 /nfs/dbraw/zinc/06/32/70/582063270.db2.gz QIWYUXLDTIXATQ-ZDUSSCGKSA-N 2 2 270.373 0.736 20 0 CCADLP O=C(CC[NH+]1CCOCC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000751399129 582078666 /nfs/dbraw/zinc/07/86/66/582078666.db2.gz ZDGDUYLUQRGUGX-UHFFFAOYSA-N 2 2 292.383 0.838 20 0 CCADLP O=C(CC[NH+]1CCOCC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000751399129 582078667 /nfs/dbraw/zinc/07/86/67/582078667.db2.gz ZDGDUYLUQRGUGX-UHFFFAOYSA-N 2 2 292.383 0.838 20 0 CCADLP C#CCNC(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151332989 612947943 /nfs/dbraw/zinc/94/79/43/612947943.db2.gz ZDVMCOXEWPNAHR-CYBMUJFWSA-N 2 2 272.352 0.342 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC1CC2(C1)CC([NH2+]CCF)C2 ZINC000965588441 649934675 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C/C(=C/C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)C[NH+]1CCOCC1 ZINC000907805076 613234082 /nfs/dbraw/zinc/23/40/82/613234082.db2.gz NEUOOXGASHGWPQ-BABFWUTDSA-N 2 2 293.411 0.285 20 0 CCADLP C/C(=C\C(=O)N1CCC([NH+](C)C)CC1)C[NH+]1CCOCC1 ZINC000900634643 613249495 /nfs/dbraw/zinc/24/94/95/613249495.db2.gz KGHKCIBOFZYTPL-WYMLVPIESA-N 2 2 295.427 0.818 20 0 CCADLP C/C(=C\C(=O)NC[C@@H]1CC[N@@H+](C)C1)C[NH+]1CCOCC1 ZINC000900306471 613256944 /nfs/dbraw/zinc/25/69/44/613256944.db2.gz RIOQUNKNABJZPR-SSUFTNFISA-N 2 2 281.400 0.333 20 0 CCADLP C/C(=C\C(=O)NC[C@@H]1CC[N@H+](C)C1)C[NH+]1CCOCC1 ZINC000900306471 613256947 /nfs/dbraw/zinc/25/69/47/613256947.db2.gz RIOQUNKNABJZPR-SSUFTNFISA-N 2 2 281.400 0.333 20 0 CCADLP C/C(=C\C(=O)N[C@@H](C[NH+](C)C)C(C)C)C[NH+]1CCOCC1 ZINC000900692897 613258154 /nfs/dbraw/zinc/25/81/54/613258154.db2.gz LEQPFOQFCAGHLP-IPJDOKCGSA-N 2 2 297.443 0.967 20 0 CCADLP C/C(=C\C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)C[NH+]1CCOCC1 ZINC000900372263 613259792 /nfs/dbraw/zinc/25/97/92/613259792.db2.gz RJMMSFIZBLXNFK-UELRPHRMSA-N 2 2 293.411 0.618 20 0 CCADLP C/C(=C\C(=O)N[C@H]1CC[N@H+](C2CC2)C1)C[NH+]1CCOCC1 ZINC000900372263 613259794 /nfs/dbraw/zinc/25/97/94/613259794.db2.gz RJMMSFIZBLXNFK-UELRPHRMSA-N 2 2 293.411 0.618 20 0 CCADLP CC(C)(C)CC[C@@H]([NH3+])C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000904373108 613914789 /nfs/dbraw/zinc/91/47/89/613914789.db2.gz LBUUZKPZJVUGDE-GFCCVEGCSA-N 3 2 257.422 0.926 20 0 CCADLP CC(C)NC(=O)NCC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933732810 613925977 /nfs/dbraw/zinc/92/59/77/613925977.db2.gz BWDRNBLNCNRMOP-GXTWGEPZSA-N 2 2 268.405 0.578 20 0 CCADLP CC(C)NC(=O)NCC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933732810 613925979 /nfs/dbraw/zinc/92/59/79/613925979.db2.gz BWDRNBLNCNRMOP-GXTWGEPZSA-N 2 2 268.405 0.578 20 0 CCADLP CC(C)NC(=O)NCC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933732810 613925982 /nfs/dbraw/zinc/92/59/82/613925982.db2.gz BWDRNBLNCNRMOP-GXTWGEPZSA-N 2 2 268.405 0.578 20 0 CCADLP CC(C)NC(=O)NCC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933732810 613925983 /nfs/dbraw/zinc/92/59/83/613925983.db2.gz BWDRNBLNCNRMOP-GXTWGEPZSA-N 2 2 268.405 0.578 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000898279642 613928362 /nfs/dbraw/zinc/92/83/62/613928362.db2.gz HYISESDBVUXJRG-CHWSQXEVSA-N 2 2 281.400 0.137 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000898279642 613928364 /nfs/dbraw/zinc/92/83/64/613928364.db2.gz HYISESDBVUXJRG-CHWSQXEVSA-N 2 2 281.400 0.137 20 0 CCADLP CC(C)(C)[NH+]1CC[C@@H]1C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000898279642 613928368 /nfs/dbraw/zinc/92/83/68/613928368.db2.gz HYISESDBVUXJRG-CHWSQXEVSA-N 2 2 281.400 0.137 20 0 CCADLP CC(C)(C)[NH+]1CC[C@@H]1C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000898279642 613928372 /nfs/dbraw/zinc/92/83/72/613928372.db2.gz HYISESDBVUXJRG-CHWSQXEVSA-N 2 2 281.400 0.137 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000864063809 613931012 /nfs/dbraw/zinc/93/10/12/613931012.db2.gz NCHKNDPMDXRGNI-JXQTWKCFSA-N 2 2 295.427 0.839 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000864063809 613931014 /nfs/dbraw/zinc/93/10/14/613931014.db2.gz NCHKNDPMDXRGNI-JXQTWKCFSA-N 2 2 295.427 0.839 20 0 CCADLP CC(C)NC(=S)NCC[N@H+](C)CCC[NH+](C)C ZINC000849280411 613937810 /nfs/dbraw/zinc/93/78/10/613937810.db2.gz UUEGHRHKWCVGBE-UHFFFAOYSA-N 2 2 260.451 0.742 20 0 CCADLP CC(C)NC(=S)NCC[N@@H+](C)CCC[NH+](C)C ZINC000849280411 613937812 /nfs/dbraw/zinc/93/78/12/613937812.db2.gz UUEGHRHKWCVGBE-UHFFFAOYSA-N 2 2 260.451 0.742 20 0 CCADLP CC(C)[NH2+][C@@H](C)[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC000979341602 613965568 /nfs/dbraw/zinc/96/55/68/613965568.db2.gz AWTANYFONUUXPQ-UONOGXRCSA-N 2 2 294.399 0.887 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC000840748923 614098041 /nfs/dbraw/zinc/09/80/41/614098041.db2.gz MEDAOEKMLTWIIW-UONOGXRCSA-N 2 2 256.390 0.704 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C[C@@H](O)C2CC2)C1 ZINC000840748923 614098043 /nfs/dbraw/zinc/09/80/43/614098043.db2.gz MEDAOEKMLTWIIW-UONOGXRCSA-N 2 2 256.390 0.704 20 0 CCADLP CC(C)COC[C@@H](O)CN1C[C@@H](c2c[nH+]cn2C)[C@H]([NH3+])C1 ZINC000923420453 614164659 /nfs/dbraw/zinc/16/46/59/614164659.db2.gz NMTBLZPZSRCDDY-BFHYXJOUSA-N 2 2 296.415 0.180 20 0 CCADLP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NCCn2cc[nH+]c2)C1 ZINC000864407491 614189470 /nfs/dbraw/zinc/18/94/70/614189470.db2.gz GBZSBDLNRXCBHP-LBPRGKRZSA-N 2 2 295.387 0.028 20 0 CCADLP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NCCn2cc[nH+]c2)C1 ZINC000864407491 614189471 /nfs/dbraw/zinc/18/94/71/614189471.db2.gz GBZSBDLNRXCBHP-LBPRGKRZSA-N 2 2 295.387 0.028 20 0 CCADLP CC(C)C[C@H]([NH3+])C[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000904427997 614218196 /nfs/dbraw/zinc/21/81/96/614218196.db2.gz CYAFYAHFJQBDIM-NSHDSACASA-N 2 2 255.362 0.934 20 0 CCADLP CC(C)(C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)[NH+]1CCCCC1 ZINC000911904899 614288751 /nfs/dbraw/zinc/28/87/51/614288751.db2.gz LBFHUVDCHCICIN-CQSZACIVSA-N 2 2 295.427 0.528 20 0 CCADLP CC(C)(C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)[NH+]1CCCCC1 ZINC000911904899 614288755 /nfs/dbraw/zinc/28/87/55/614288755.db2.gz LBFHUVDCHCICIN-CQSZACIVSA-N 2 2 295.427 0.528 20 0 CCADLP CC(C)=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963025670 614320326 /nfs/dbraw/zinc/32/03/26/614320326.db2.gz XSQJWFCHGHZQEI-NHAGDIPZSA-N 2 2 274.368 0.896 20 0 CCADLP CC(C)=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963025670 614320328 /nfs/dbraw/zinc/32/03/28/614320328.db2.gz XSQJWFCHGHZQEI-NHAGDIPZSA-N 2 2 274.368 0.896 20 0 CCADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](C)C1 ZINC000911510657 614501378 /nfs/dbraw/zinc/50/13/78/614501378.db2.gz AQRHGTYITSIXJE-GFCCVEGCSA-N 2 2 250.346 0.895 20 0 CCADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](C)C1 ZINC000911510657 614501379 /nfs/dbraw/zinc/50/13/79/614501379.db2.gz AQRHGTYITSIXJE-GFCCVEGCSA-N 2 2 250.346 0.895 20 0 CCADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898887413 614504395 /nfs/dbraw/zinc/50/43/95/614504395.db2.gz BRZJZTSBGFBKHH-WDEREUQCSA-N 2 2 282.388 0.736 20 0 CCADLP CCC[NH+]1CCC([NH2+]CC(=O)N(C)OCC)CC1 ZINC000846065374 614620450 /nfs/dbraw/zinc/62/04/50/614620450.db2.gz QFSSTZPBJYKFEW-UHFFFAOYSA-N 2 2 257.378 0.860 20 0 CCADLP CCN(C(=O)[C@H]1CCCC[N@@H+]1C)C1C[NH+](CCCO)C1 ZINC000950627648 614668387 /nfs/dbraw/zinc/66/83/87/614668387.db2.gz HFFIUPAPOHTUDV-CQSZACIVSA-N 2 2 283.416 0.386 20 0 CCADLP CCN(C(=O)[C@H]1CCCC[N@H+]1C)C1C[NH+](CCCO)C1 ZINC000950627648 614668389 /nfs/dbraw/zinc/66/83/89/614668389.db2.gz HFFIUPAPOHTUDV-CQSZACIVSA-N 2 2 283.416 0.386 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)CC(C)(C)O ZINC000872207901 614683917 /nfs/dbraw/zinc/68/39/17/614683917.db2.gz HYFLIBCPJVNMPK-QWHCGFSZSA-N 2 2 258.406 0.972 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)CC(C)(C)O ZINC000872207901 614683918 /nfs/dbraw/zinc/68/39/18/614683918.db2.gz HYFLIBCPJVNMPK-QWHCGFSZSA-N 2 2 258.406 0.972 20 0 CCADLP CC1(C)NC(=O)N(CCC[N@@H+]2CC[C@@H]3CC[C@]32C[NH3+])C1=O ZINC000903853832 614803738 /nfs/dbraw/zinc/80/37/38/614803738.db2.gz HCLAICIDBIVVDL-NHYWBVRUSA-N 2 2 294.399 0.520 20 0 CCADLP CC1(C)NC(=O)N(CCC[N@H+]2CC[C@@H]3CC[C@]32C[NH3+])C1=O ZINC000903853832 614803739 /nfs/dbraw/zinc/80/37/39/614803739.db2.gz HCLAICIDBIVVDL-NHYWBVRUSA-N 2 2 294.399 0.520 20 0 CCADLP CC1(C)NC(=O)N(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)C1=O ZINC000903487011 614805217 /nfs/dbraw/zinc/80/52/17/614805217.db2.gz ZSXXCHGNESYFQA-LLVKDONJSA-N 2 2 294.399 0.581 20 0 CCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000841088325 614808845 /nfs/dbraw/zinc/80/88/45/614808845.db2.gz ZFORPBLIMLJWIR-CYBMUJFWSA-N 2 2 277.368 0.781 20 0 CCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H]1CCCN1S(C)(=O)=O ZINC000925607155 614808865 /nfs/dbraw/zinc/80/88/65/614808865.db2.gz OKSOFPOQTPAAEY-GHMZBOCLSA-N 2 2 275.418 0.141 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(Cc2noc(C)n2)CC1 ZINC000932246078 614849906 /nfs/dbraw/zinc/84/99/06/614849906.db2.gz GNULXOYMVLCXHH-CQSZACIVSA-N 2 2 296.415 0.945 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(Cc2noc(C)n2)CC1 ZINC000932246078 614849908 /nfs/dbraw/zinc/84/99/08/614849908.db2.gz GNULXOYMVLCXHH-CQSZACIVSA-N 2 2 296.415 0.945 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@]1(CC(=O)OC)CCCOC1 ZINC000846857473 614852409 /nfs/dbraw/zinc/85/24/09/614852409.db2.gz JKLKFNPCUNGINK-GXTWGEPZSA-N 2 2 288.388 0.001 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@]1(CC(=O)OC)CCCOC1 ZINC000846857473 614852411 /nfs/dbraw/zinc/85/24/11/614852411.db2.gz JKLKFNPCUNGINK-GXTWGEPZSA-N 2 2 288.388 0.001 20 0 CCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000816941008 614864021 /nfs/dbraw/zinc/86/40/21/614864021.db2.gz TUCBVETWEMXCIT-NSHDSACASA-N 2 2 250.346 0.752 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000816941008 614864022 /nfs/dbraw/zinc/86/40/22/614864022.db2.gz TUCBVETWEMXCIT-NSHDSACASA-N 2 2 250.346 0.752 20 0 CCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900889857 614864512 /nfs/dbraw/zinc/86/45/12/614864512.db2.gz KUABQUBSRMEJLH-NSHDSACASA-N 2 2 250.346 0.752 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000900889857 614864514 /nfs/dbraw/zinc/86/45/14/614864514.db2.gz KUABQUBSRMEJLH-NSHDSACASA-N 2 2 250.346 0.752 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](CC1CC1)[C@H](C(N)=O)C1CC1 ZINC000879487415 614865922 /nfs/dbraw/zinc/86/59/22/614865922.db2.gz WIZRHBQCIKBJHE-KBPBESRZSA-N 2 2 283.416 0.275 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](CC1CC1)[C@H](C(N)=O)C1CC1 ZINC000879487415 614865925 /nfs/dbraw/zinc/86/59/25/614865925.db2.gz WIZRHBQCIKBJHE-KBPBESRZSA-N 2 2 283.416 0.275 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](CC1CC1)[C@H](C(N)=O)C1CC1 ZINC000879487415 614865928 /nfs/dbraw/zinc/86/59/28/614865928.db2.gz WIZRHBQCIKBJHE-KBPBESRZSA-N 2 2 283.416 0.275 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](CC1CC1)[C@H](C(N)=O)C1CC1 ZINC000879487415 614865931 /nfs/dbraw/zinc/86/59/31/614865931.db2.gz WIZRHBQCIKBJHE-KBPBESRZSA-N 2 2 283.416 0.275 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC([C@]2(C)COC(=O)N2)CC1 ZINC000932097577 614866573 /nfs/dbraw/zinc/86/65/73/614866573.db2.gz BNJRMJGKWKNATG-ZFWWWQNUSA-N 2 2 299.415 0.510 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC([C@]2(C)COC(=O)N2)CC1 ZINC000932097577 614866576 /nfs/dbraw/zinc/86/65/76/614866576.db2.gz BNJRMJGKWKNATG-ZFWWWQNUSA-N 2 2 299.415 0.510 20 0 CCADLP CC[N@H+](C)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC000961035487 614871973 /nfs/dbraw/zinc/87/19/73/614871973.db2.gz FLMOIGBXJWSYST-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP CC[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC000961035487 614871974 /nfs/dbraw/zinc/87/19/74/614871974.db2.gz FLMOIGBXJWSYST-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000971817477 614912606 /nfs/dbraw/zinc/91/26/06/614912606.db2.gz GVJCAGWXGJQBCK-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000971817477 614912610 /nfs/dbraw/zinc/91/26/10/614912610.db2.gz GVJCAGWXGJQBCK-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP CC1([NH+]2CCCCC2)CCN(c2nc(N)nc(N)[nH+]2)CC1 ZINC000872661761 614913272 /nfs/dbraw/zinc/91/32/72/614913272.db2.gz BRGIMNVXUZPPIU-UHFFFAOYSA-N 2 2 291.403 0.881 20 0 CCADLP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000866181721 615004564 /nfs/dbraw/zinc/00/45/64/615004564.db2.gz FZXFAQHXKXJWFG-DGCLKSJQSA-N 2 2 280.372 0.633 20 0 CCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000866192021 615010655 /nfs/dbraw/zinc/01/06/55/615010655.db2.gz WWZAOCHYWJWQRM-ZYHUDNBSSA-N 2 2 266.345 0.386 20 0 CCADLP CCC[C@H](O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932578309 615045636 /nfs/dbraw/zinc/04/56/36/615045636.db2.gz WAOOMIHXTYVZPX-GJZGRUSLSA-N 2 2 297.443 0.774 20 0 CCADLP CCC[C@H](O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932578309 615045637 /nfs/dbraw/zinc/04/56/37/615045637.db2.gz WAOOMIHXTYVZPX-GJZGRUSLSA-N 2 2 297.443 0.774 20 0 CCADLP CC[NH2+]CC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848432316 615078683 /nfs/dbraw/zinc/07/86/83/615078683.db2.gz ZEZQQRIQLGWKGM-UTUOFQBUSA-N 2 2 257.378 0.210 20 0 CCADLP CC[NH2+]CC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848432316 615078685 /nfs/dbraw/zinc/07/86/85/615078685.db2.gz ZEZQQRIQLGWKGM-UTUOFQBUSA-N 2 2 257.378 0.210 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864609880 615145618 /nfs/dbraw/zinc/14/56/18/615145618.db2.gz HMADKDURRCNJQH-SDQPKGBYSA-N 2 2 281.400 0.475 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864609880 615145620 /nfs/dbraw/zinc/14/56/20/615145620.db2.gz HMADKDURRCNJQH-SDQPKGBYSA-N 2 2 281.400 0.475 20 0 CCADLP CC[NH+]1CCN([C@@H](C)CNc2cc(NC)[nH+]cn2)CC1 ZINC000891830246 615161940 /nfs/dbraw/zinc/16/19/40/615161940.db2.gz XGCCPJRRMVTSKI-LBPRGKRZSA-N 2 2 278.404 0.956 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C)C[C@@H]2CC(C)C)C1 ZINC000886592816 615180939 /nfs/dbraw/zinc/18/09/39/615180939.db2.gz BZOHLXXGQYQNDN-GJZGRUSLSA-N 2 2 297.443 0.896 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C)C[C@@H]2CC(C)C)C1 ZINC000886592816 615180940 /nfs/dbraw/zinc/18/09/40/615180940.db2.gz BZOHLXXGQYQNDN-GJZGRUSLSA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2CC(C)C)C1 ZINC000886592816 615180941 /nfs/dbraw/zinc/18/09/41/615180941.db2.gz BZOHLXXGQYQNDN-GJZGRUSLSA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2CC(C)C)C1 ZINC000886592816 615180942 /nfs/dbraw/zinc/18/09/42/615180942.db2.gz BZOHLXXGQYQNDN-GJZGRUSLSA-N 2 2 297.443 0.896 20 0 CCADLP CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000972361946 615190350 /nfs/dbraw/zinc/19/03/50/615190350.db2.gz MIHYPUHRHKILRE-OAHLLOKOSA-N 2 2 292.383 0.666 20 0 CCADLP CC[N@H+]1CCO[C@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000972361946 615190351 /nfs/dbraw/zinc/19/03/51/615190351.db2.gz MIHYPUHRHKILRE-OAHLLOKOSA-N 2 2 292.383 0.666 20 0 CCADLP CCOC(=O)C[N@@H+]1CCCN(c2cc[nH+]c(CO)c2)CC1 ZINC000858421793 615192087 /nfs/dbraw/zinc/19/20/87/615192087.db2.gz JAOPYGPXNZEHRR-UHFFFAOYSA-N 2 2 293.367 0.649 20 0 CCADLP CCOC(=O)C[N@H+]1CCCN(c2cc[nH+]c(CO)c2)CC1 ZINC000858421793 615192090 /nfs/dbraw/zinc/19/20/90/615192090.db2.gz JAOPYGPXNZEHRR-UHFFFAOYSA-N 2 2 293.367 0.649 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000883900248 615246053 /nfs/dbraw/zinc/24/60/53/615246053.db2.gz GWQBGNNBDHMNID-KGLIPLIRSA-N 2 2 296.415 0.197 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000883900248 615246054 /nfs/dbraw/zinc/24/60/54/615246054.db2.gz GWQBGNNBDHMNID-KGLIPLIRSA-N 2 2 296.415 0.197 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000883118009 615251495 /nfs/dbraw/zinc/25/14/95/615251495.db2.gz MTEDGSVFNUNKHK-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000883118009 615251496 /nfs/dbraw/zinc/25/14/96/615251496.db2.gz MTEDGSVFNUNKHK-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP CCOCCOC[C@@H](O)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925649507 615285248 /nfs/dbraw/zinc/28/52/48/615285248.db2.gz GJHLEYODCZCOAP-RYUDHWBXSA-N 2 2 260.378 0.131 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]1C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000931067906 615320745 /nfs/dbraw/zinc/32/07/45/615320745.db2.gz URHZCEZPAYNIGV-AEGPPILISA-N 2 2 296.411 0.717 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]1C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000931067906 615320748 /nfs/dbraw/zinc/32/07/48/615320748.db2.gz URHZCEZPAYNIGV-AEGPPILISA-N 2 2 296.411 0.717 20 0 CCADLP CCN1CC[C@H]1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000883356145 615326056 /nfs/dbraw/zinc/32/60/56/615326056.db2.gz HAEBZBCKHRLQIG-GJZGRUSLSA-N 2 2 267.417 0.924 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)N(C)OC ZINC000799128678 615328793 /nfs/dbraw/zinc/32/87/93/615328793.db2.gz RUARKKKFGSFTPH-OLZOCXBDSA-N 2 2 269.389 0.955 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)N(C)OC ZINC000799128678 615328795 /nfs/dbraw/zinc/32/87/95/615328795.db2.gz RUARKKKFGSFTPH-OLZOCXBDSA-N 2 2 269.389 0.955 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)N(C)OC ZINC000799128678 615328797 /nfs/dbraw/zinc/32/87/97/615328797.db2.gz RUARKKKFGSFTPH-OLZOCXBDSA-N 2 2 269.389 0.955 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)N(C)OC ZINC000799128678 615328799 /nfs/dbraw/zinc/32/87/99/615328799.db2.gz RUARKKKFGSFTPH-OLZOCXBDSA-N 2 2 269.389 0.955 20 0 CCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC000901272446 615338094 /nfs/dbraw/zinc/33/80/94/615338094.db2.gz QQWOUZITMXLYJO-GHMZBOCLSA-N 2 2 250.346 0.893 20 0 CCADLP CC[N@H+]1C[C@@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC000901272446 615338097 /nfs/dbraw/zinc/33/80/97/615338097.db2.gz QQWOUZITMXLYJO-GHMZBOCLSA-N 2 2 250.346 0.893 20 0 CCADLP CC[C@@H](C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC000615548150 615371053 /nfs/dbraw/zinc/37/10/53/615371053.db2.gz SRCIWFQXWPXFCK-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@@H](C(=O)N1CC[NH2+]CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911647000 615371742 /nfs/dbraw/zinc/37/17/42/615371742.db2.gz KQPZLUZJMJIOJJ-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP CC[C@@H](C(=O)N1CC[NH2+]CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000911647000 615371744 /nfs/dbraw/zinc/37/17/44/615371744.db2.gz KQPZLUZJMJIOJJ-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1)[NH+](C)C ZINC000969986291 615374849 /nfs/dbraw/zinc/37/48/49/615374849.db2.gz VITBMICQJPOMCX-PWSUYJOCSA-N 2 2 281.360 0.100 20 0 CCADLP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]C)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911656695 615374894 /nfs/dbraw/zinc/37/48/94/615374894.db2.gz POBRUASPSDIXBG-MCIONIFRSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]C)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000911656695 615374897 /nfs/dbraw/zinc/37/48/97/615374897.db2.gz POBRUASPSDIXBG-MCIONIFRSA-N 2 2 283.416 0.696 20 0 CCADLP CC[N@H+]1[C@H](C)CN(C(=O)[C@H](C)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000880608444 615450196 /nfs/dbraw/zinc/45/01/96/615450196.db2.gz BSFPCXZHUYKDDQ-ZNMIVQPWSA-N 2 2 296.459 0.563 20 0 CCADLP CC[N@@H+]1[C@H](C)CN(C(=O)[C@H](C)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000880608444 615450198 /nfs/dbraw/zinc/45/01/98/615450198.db2.gz BSFPCXZHUYKDDQ-ZNMIVQPWSA-N 2 2 296.459 0.563 20 0 CCADLP CCO[C@H](CC[NH+](C)C)CNC(=O)CNc1cccc[nH+]1 ZINC000900993860 615479459 /nfs/dbraw/zinc/47/94/59/615479459.db2.gz KUMTYGHFYGAMEJ-CYBMUJFWSA-N 2 2 294.399 0.967 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)Nc1nc(N)cc(C)[nH+]1 ZINC000895800359 615480370 /nfs/dbraw/zinc/48/03/70/615480370.db2.gz AYICALSBSQYMJP-NSHDSACASA-N 2 2 265.361 0.890 20 0 CCADLP CCO[C@H](C[NH2+]C[C@@](C)(O)C(F)(F)F)C[NH+](C)C ZINC000905577721 615483931 /nfs/dbraw/zinc/48/39/31/615483931.db2.gz ABZUWNZZQOIWRN-NXEZZACHSA-N 2 2 272.311 0.856 20 0 CCADLP CCO[C@H](C[NH2+]C[C@H]1COC(C)(C)O1)C[NH+](C)C ZINC000896878053 615484154 /nfs/dbraw/zinc/48/41/54/615484154.db2.gz OIQGCSMYRWICQX-NEPJUHHUSA-N 2 2 260.378 0.694 20 0 CCADLP CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925679786 615485109 /nfs/dbraw/zinc/48/51/09/615485109.db2.gz FEGXMCCIVXXBOU-NWDGAFQWSA-N 2 2 289.445 0.579 20 0 CCADLP CCS(=O)(=O)CC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000842474073 615534030 /nfs/dbraw/zinc/53/40/30/615534030.db2.gz DBESNRBIEUFQHV-QWHCGFSZSA-N 2 2 274.430 0.885 20 0 CCADLP CCS(=O)(=O)CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000842474073 615534031 /nfs/dbraw/zinc/53/40/31/615534031.db2.gz DBESNRBIEUFQHV-QWHCGFSZSA-N 2 2 274.430 0.885 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000818972154 615562712 /nfs/dbraw/zinc/56/27/12/615562712.db2.gz SSCDBQSRBKEWHL-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000818972154 615562713 /nfs/dbraw/zinc/56/27/13/615562713.db2.gz SSCDBQSRBKEWHL-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C[NH+](CC)CC ZINC000874702179 615567140 /nfs/dbraw/zinc/56/71/40/615567140.db2.gz CPVXEOMDHVRASJ-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C[NH+](CC)CC ZINC000874702179 615567141 /nfs/dbraw/zinc/56/71/41/615567141.db2.gz CPVXEOMDHVRASJ-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP CC[C@@](C)(O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000824956265 615591188 /nfs/dbraw/zinc/59/11/88/615591188.db2.gz FLGLEJHNRNLEFG-CYBMUJFWSA-N 2 2 259.394 0.147 20 0 CCADLP CC[C@@](C)(O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000824956265 615591189 /nfs/dbraw/zinc/59/11/89/615591189.db2.gz FLGLEJHNRNLEFG-CYBMUJFWSA-N 2 2 259.394 0.147 20 0 CCADLP CCc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)no1 ZINC000898668812 615623668 /nfs/dbraw/zinc/62/36/68/615623668.db2.gz KPPWHQOQQXDLAZ-UHFFFAOYSA-N 2 2 282.388 0.850 20 0 CCADLP CCc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)no1 ZINC000898668812 615623670 /nfs/dbraw/zinc/62/36/70/615623670.db2.gz KPPWHQOQQXDLAZ-UHFFFAOYSA-N 2 2 282.388 0.850 20 0 CCADLP CCc1cc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)n[nH]1 ZINC000849007645 615646083 /nfs/dbraw/zinc/64/60/83/615646083.db2.gz JSNKBSJMQYSJJF-UHFFFAOYSA-N 2 2 294.403 0.308 20 0 CCADLP CCc1cnc(N2CC[NH+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)s1 ZINC000923324172 615708617 /nfs/dbraw/zinc/70/86/17/615708617.db2.gz CVAHKPDLXLBVEY-DRZSPHRISA-N 2 2 296.440 0.678 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)Nc1cc[nH+]cc1C(N)=O ZINC000895802697 615714757 /nfs/dbraw/zinc/71/47/57/615714757.db2.gz WHZJGBIZVMLKDH-LLVKDONJSA-N 2 2 278.356 0.125 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925679785 615727796 /nfs/dbraw/zinc/72/77/96/615727796.db2.gz FEGXMCCIVXXBOU-NEPJUHHUSA-N 2 2 289.445 0.579 20 0 CCADLP CN(C(=O)Cn1cc[nH+]c1)C1CCC([NH2+]CCO)CC1 ZINC000964478093 615830413 /nfs/dbraw/zinc/83/04/13/615830413.db2.gz CNJJBDUNMMLVHG-UHFFFAOYSA-N 2 2 280.372 0.235 20 0 CCADLP CC[C@H](O)C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000905447330 615830685 /nfs/dbraw/zinc/83/06/85/615830685.db2.gz QIBDTTAHZXWYQK-GJZGRUSLSA-N 2 2 285.432 0.144 20 0 CCADLP CC[C@H](O)[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900674731 615835401 /nfs/dbraw/zinc/83/54/01/615835401.db2.gz NIIWPKBRDDVKIB-NFAWXSAZSA-N 2 2 297.443 0.678 20 0 CCADLP CC[C@H](O)[C@@H](C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900674731 615835403 /nfs/dbraw/zinc/83/54/03/615835403.db2.gz NIIWPKBRDDVKIB-NFAWXSAZSA-N 2 2 297.443 0.678 20 0 CCADLP C[NH+](C)C1(CNC(=O)NC[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000923000523 615849322 /nfs/dbraw/zinc/84/93/22/615849322.db2.gz VXZZGUBJQGMGIZ-LBPRGKRZSA-N 2 2 291.399 0.839 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cncc(Cl)n1 ZINC000857308664 615880135 /nfs/dbraw/zinc/88/01/35/615880135.db2.gz RCBJKQCMQDTTEF-UHFFFAOYSA-N 2 2 299.806 0.743 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cncc(Cl)n1 ZINC000857308664 615880136 /nfs/dbraw/zinc/88/01/36/615880136.db2.gz RCBJKQCMQDTTEF-UHFFFAOYSA-N 2 2 299.806 0.743 20 0 CCADLP C[NH+](C)CCONC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000844145292 615908125 /nfs/dbraw/zinc/90/81/25/615908125.db2.gz SXBGAVPUIJEMDC-JTQLQIEISA-N 2 2 252.318 0.055 20 0 CCADLP CC[C@H](C(=O)NCC[NH2+]C1CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000911755709 615918198 /nfs/dbraw/zinc/91/81/98/615918198.db2.gz VFXIQHUGSJGVFV-UONOGXRCSA-N 2 2 283.416 0.744 20 0 CCADLP CC[C@H](C(=O)NCC[NH2+]C1CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000911755709 615918201 /nfs/dbraw/zinc/91/82/01/615918201.db2.gz VFXIQHUGSJGVFV-UONOGXRCSA-N 2 2 283.416 0.744 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc2oc(=O)oc2c1 ZINC000883074858 615951545 /nfs/dbraw/zinc/95/15/45/615951545.db2.gz LIUDAEZVXIOJLU-CQSZACIVSA-N 2 2 280.324 0.788 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@H](O)c2ccccn2)C1 ZINC000878865874 615952290 /nfs/dbraw/zinc/95/22/90/615952290.db2.gz OPZMEUZBOAZPIM-LSDHHAIUSA-N 2 2 279.384 0.504 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@H](O)c2ccccn2)C1 ZINC000878865874 615952293 /nfs/dbraw/zinc/95/22/93/615952293.db2.gz OPZMEUZBOAZPIM-LSDHHAIUSA-N 2 2 279.384 0.504 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@@H]2COC(C)(C)O2)C1 ZINC000878864996 615952378 /nfs/dbraw/zinc/95/23/78/615952378.db2.gz CIYLDWJFWPDPMQ-TZMCWYRMSA-N 2 2 272.389 0.526 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@@H]2COC(C)(C)O2)C1 ZINC000878864996 615952379 /nfs/dbraw/zinc/95/23/79/615952379.db2.gz CIYLDWJFWPDPMQ-TZMCWYRMSA-N 2 2 272.389 0.526 20 0 CCADLP C[NH+](C)Cc1cnc(CN2CC[NH2+]CC[NH2+]CC2)s1 ZINC000904396051 615957369 /nfs/dbraw/zinc/95/73/69/615957369.db2.gz KGSGDBGSQLIRIQ-UHFFFAOYSA-N 3 2 283.445 0.200 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC000901161370 615980778 /nfs/dbraw/zinc/98/07/78/615980778.db2.gz AXGMFWUSAGZWQQ-MGPQQGTHSA-N 2 2 292.383 0.662 20 0 CCADLP CN(C)C(=O)OC1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000815187272 615987642 /nfs/dbraw/zinc/98/76/42/615987642.db2.gz RLUNZUCSROLOFX-ZDUSSCGKSA-N 2 2 299.415 0.606 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)/C=C/C[NH+]1CCOCC1)C1CC1 ZINC000864939650 615989416 /nfs/dbraw/zinc/98/94/16/615989416.db2.gz FGKJLQKUYMJVJT-RDFMZFSFSA-N 2 2 281.400 0.331 20 0 CCADLP CCn1cc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c(C)n1 ZINC000895571529 615996906 /nfs/dbraw/zinc/99/69/06/615996906.db2.gz HZTUQBHUEVMFHE-AWEZNQCLSA-N 2 2 293.415 0.641 20 0 CCADLP CCn1cc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c(C)n1 ZINC000895571529 615996907 /nfs/dbraw/zinc/99/69/07/615996907.db2.gz HZTUQBHUEVMFHE-AWEZNQCLSA-N 2 2 293.415 0.641 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+]([C@@H]3C[C@H]4CCCC[C@@H]4NC3=O)C[C@H]21 ZINC000931277714 615999006 /nfs/dbraw/zinc/99/90/06/615999006.db2.gz NMZSOFCWNUVZPN-YRKSKIDTSA-N 2 2 277.412 0.926 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+]([C@@H]3C[C@H]4CCCC[C@@H]4NC3=O)C[C@H]21 ZINC000931277714 615999008 /nfs/dbraw/zinc/99/90/08/615999008.db2.gz NMZSOFCWNUVZPN-YRKSKIDTSA-N 2 2 277.412 0.926 20 0 CCADLP CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@H]2CC[NH2+]C2(C)C)O1 ZINC000925628592 616002923 /nfs/dbraw/zinc/00/29/23/616002923.db2.gz DVPRTCLODAESHE-WOPDTQHZSA-N 2 2 269.389 0.352 20 0 CCADLP CC[S@@](=O)CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000848531970 616005849 /nfs/dbraw/zinc/00/58/49/616005849.db2.gz YMFVNNVIRVIJFI-AUUYWEPGSA-N 2 2 288.457 0.988 20 0 CCADLP CN(C)c1[nH+]cc(CN2CC[NH+](CCCCO)CC2)n1C ZINC000822443596 616035844 /nfs/dbraw/zinc/03/58/44/616035844.db2.gz YHBDAXZEPWHMNX-UHFFFAOYSA-N 2 2 295.431 0.376 20 0 CCADLP C[N@H+](CC1CC1)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980539376 616061300 /nfs/dbraw/zinc/06/13/00/616061300.db2.gz QGBHVLPWBGMCAK-CYBMUJFWSA-N 2 2 262.357 0.826 20 0 CCADLP C[N@@H+](CC1CC1)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980539376 616061301 /nfs/dbraw/zinc/06/13/01/616061301.db2.gz QGBHVLPWBGMCAK-CYBMUJFWSA-N 2 2 262.357 0.826 20 0 CCADLP Cn1cc(C[N@H+](C)C[C@H]2CC3(CO2)CC[NH2+]CC3)nn1 ZINC000903767337 616091308 /nfs/dbraw/zinc/09/13/08/616091308.db2.gz VQJPHRHKLDJCHB-CYBMUJFWSA-N 2 2 279.388 0.406 20 0 CCADLP Cn1cc(C[N@@H+](C)C[C@H]2CC3(CO2)CC[NH2+]CC3)nn1 ZINC000903767337 616091309 /nfs/dbraw/zinc/09/13/09/616091309.db2.gz VQJPHRHKLDJCHB-CYBMUJFWSA-N 2 2 279.388 0.406 20 0 CCADLP CN(C(=O)NCC[NH+](C)C1CC1)[C@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000454640580 616092243 /nfs/dbraw/zinc/09/22/43/616092243.db2.gz KLBPNZKSCUYUQU-KBPBESRZSA-N 2 2 296.415 0.195 20 0 CCADLP CN(C(=O)NCC[NH+](C)C1CC1)[C@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000454640580 616092244 /nfs/dbraw/zinc/09/22/44/616092244.db2.gz KLBPNZKSCUYUQU-KBPBESRZSA-N 2 2 296.415 0.195 20 0 CCADLP CN(C(=O)NCC[N@H+](C)C1CC1)[C@H]1CC[NH+]2CCO[C@H]1C2 ZINC000454640580 616092247 /nfs/dbraw/zinc/09/22/47/616092247.db2.gz KLBPNZKSCUYUQU-KBPBESRZSA-N 2 2 296.415 0.195 20 0 CCADLP CN(C(=O)NCC[N@@H+](C)C1CC1)[C@H]1CC[NH+]2CCO[C@H]1C2 ZINC000454640580 616092249 /nfs/dbraw/zinc/09/22/49/616092249.db2.gz KLBPNZKSCUYUQU-KBPBESRZSA-N 2 2 296.415 0.195 20 0 CCADLP C[N@H+](Cc1nc(C2([NH3+])CC2)no1)[C@H]1CCSC1 ZINC000905326611 616102194 /nfs/dbraw/zinc/10/21/94/616102194.db2.gz RRARVPCESXYYBS-QMMMGPOBSA-N 2 2 254.359 0.955 20 0 CCADLP C[N@@H+](Cc1nc(C2([NH3+])CC2)no1)[C@H]1CCSC1 ZINC000905326611 616102196 /nfs/dbraw/zinc/10/21/96/616102196.db2.gz RRARVPCESXYYBS-QMMMGPOBSA-N 2 2 254.359 0.955 20 0 CCADLP C[N@H+](CCS(C)(=O)=O)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211978214 616119610 /nfs/dbraw/zinc/11/96/10/616119610.db2.gz DQMAOQYMKCNOBI-UHFFFAOYSA-N 2 2 282.409 0.809 20 0 CCADLP C[N@@H+](CCS(C)(=O)=O)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000211978214 616119612 /nfs/dbraw/zinc/11/96/12/616119612.db2.gz DQMAOQYMKCNOBI-UHFFFAOYSA-N 2 2 282.409 0.809 20 0 CCADLP CN1C(=O)[C@H]2C[N@H+](C[C@H]([NH3+])CCC(C)(C)C)C[C@H]2C1=O ZINC000904384980 616158399 /nfs/dbraw/zinc/15/83/99/616158399.db2.gz QJVDPJMFPKMLEC-UTUOFQBUSA-N 2 2 281.400 0.687 20 0 CCADLP CN1C(=O)[C@H]2C[N@@H+](C[C@H]([NH3+])CCC(C)(C)C)C[C@H]2C1=O ZINC000904384980 616158400 /nfs/dbraw/zinc/15/84/00/616158400.db2.gz QJVDPJMFPKMLEC-UTUOFQBUSA-N 2 2 281.400 0.687 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC000898722004 616163692 /nfs/dbraw/zinc/16/36/92/616163692.db2.gz SOFZOKIFULIEKW-CQSZACIVSA-N 2 2 291.399 0.810 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC000898722004 616163694 /nfs/dbraw/zinc/16/36/94/616163694.db2.gz SOFZOKIFULIEKW-CQSZACIVSA-N 2 2 291.399 0.810 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3(F)CC3)C2)CC1 ZINC000843795214 616171935 /nfs/dbraw/zinc/17/19/35/616171935.db2.gz FNZWEYTVXHDEOQ-LLVKDONJSA-N 2 2 269.364 0.773 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3(F)CC3)C2)CC1 ZINC000843795214 616171936 /nfs/dbraw/zinc/17/19/36/616171936.db2.gz FNZWEYTVXHDEOQ-LLVKDONJSA-N 2 2 269.364 0.773 20 0 CCADLP C[NH+]1CCC(ONC(=O)CCn2cc[nH+]c2)CC1 ZINC000819692927 616176011 /nfs/dbraw/zinc/17/60/11/616176011.db2.gz TWJUXSOITJJFSE-UHFFFAOYSA-N 2 2 252.318 0.415 20 0 CCADLP C[N@@H+]1CCCC[C@H](CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000897563794 616182172 /nfs/dbraw/zinc/18/21/72/616182172.db2.gz LLMAJXHCFHVYOK-OLZOCXBDSA-N 2 2 291.399 0.839 20 0 CCADLP C[N@H+]1CCCC[C@H](CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000897563794 616182173 /nfs/dbraw/zinc/18/21/73/616182173.db2.gz LLMAJXHCFHVYOK-OLZOCXBDSA-N 2 2 291.399 0.839 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000874833768 616199848 /nfs/dbraw/zinc/19/98/48/616199848.db2.gz NIXBAMZNZJSXOT-CHWSQXEVSA-N 2 2 262.357 0.658 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000874833768 616199849 /nfs/dbraw/zinc/19/98/49/616199849.db2.gz NIXBAMZNZJSXOT-CHWSQXEVSA-N 2 2 262.357 0.658 20 0 CCADLP C[N@@H+]1CCC[C@](O)(CC(=O)N[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000911570172 616218954 /nfs/dbraw/zinc/21/89/54/616218954.db2.gz GRBYKUPPWTWLPA-DOMZBBRYSA-N 2 2 292.383 0.161 20 0 CCADLP C[N@H+]1CCC[C@](O)(CC(=O)N[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000911570172 616218955 /nfs/dbraw/zinc/21/89/55/616218955.db2.gz GRBYKUPPWTWLPA-DOMZBBRYSA-N 2 2 292.383 0.161 20 0 CCADLP C[NH+]1CCN(C(=O)CC[NH2+]Cc2ccc(Cl)nn2)CC1 ZINC000877017123 616222657 /nfs/dbraw/zinc/22/26/57/616222657.db2.gz KRHYUABNWDTPFW-UHFFFAOYSA-N 2 2 297.790 0.384 20 0 CCADLP CN(C)c1cc(NC(=O)C2CN(C)CC[N@H+](C)C2)cc[nH+]1 ZINC000906902875 616234859 /nfs/dbraw/zinc/23/48/59/616234859.db2.gz PKEHFIKNASBTJE-UHFFFAOYSA-N 2 2 291.399 0.580 20 0 CCADLP CN(C)c1cc(NC(=O)C2CN(C)CC[N@@H+](C)C2)cc[nH+]1 ZINC000906902875 616234860 /nfs/dbraw/zinc/23/48/60/616234860.db2.gz PKEHFIKNASBTJE-UHFFFAOYSA-N 2 2 291.399 0.580 20 0 CCADLP CN1CCN(C(=O)[C@H]2CC[NH+]2C(C)(C)C)CC[N@H+](C)CC1 ZINC000888980643 616236298 /nfs/dbraw/zinc/23/62/98/616236298.db2.gz KHQKMBVPQLPPMY-CQSZACIVSA-N 2 2 296.459 0.565 20 0 CCADLP CN1CCN(C(=O)[C@H]2CC[NH+]2C(C)(C)C)CC[N@@H+](C)CC1 ZINC000888980643 616236299 /nfs/dbraw/zinc/23/62/99/616236299.db2.gz KHQKMBVPQLPPMY-CQSZACIVSA-N 2 2 296.459 0.565 20 0 CCADLP CN1CCN(C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)CC[NH+](C)CC1 ZINC000888980643 616236300 /nfs/dbraw/zinc/23/63/00/616236300.db2.gz KHQKMBVPQLPPMY-CQSZACIVSA-N 2 2 296.459 0.565 20 0 CCADLP CN1CCN(C(=O)[C@H]2CC[N@H+]2C(C)(C)C)CC[NH+](C)CC1 ZINC000888980643 616236301 /nfs/dbraw/zinc/23/63/01/616236301.db2.gz KHQKMBVPQLPPMY-CQSZACIVSA-N 2 2 296.459 0.565 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)NC2[C@H]3C[NH+](C/C=C/Cl)C[C@@H]23)C1 ZINC000958474649 616258598 /nfs/dbraw/zinc/25/85/98/616258598.db2.gz OZLFMUPYSSXFHZ-AGYAYBGXSA-N 2 2 299.802 0.116 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)NC2[C@H]3C[NH+](C/C=C/Cl)C[C@@H]23)C1 ZINC000958474649 616258599 /nfs/dbraw/zinc/25/85/99/616258599.db2.gz OZLFMUPYSSXFHZ-AGYAYBGXSA-N 2 2 299.802 0.116 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)NC2[C@H]3C[N@H+](C/C=C/Cl)C[C@@H]23)C1 ZINC000958474649 616258600 /nfs/dbraw/zinc/25/86/00/616258600.db2.gz OZLFMUPYSSXFHZ-AGYAYBGXSA-N 2 2 299.802 0.116 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)NC2[C@H]3C[N@@H+](C/C=C/Cl)C[C@@H]23)C1 ZINC000958474649 616258601 /nfs/dbraw/zinc/25/86/01/616258601.db2.gz OZLFMUPYSSXFHZ-AGYAYBGXSA-N 2 2 299.802 0.116 20 0 CCADLP C[N@@H+]1CC[C@@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000925408800 616289797 /nfs/dbraw/zinc/28/97/97/616289797.db2.gz BKCATIWZDYJTDC-ZIAGYGMSSA-N 2 2 296.415 0.197 20 0 CCADLP C[N@H+]1CC[C@@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000925408800 616289801 /nfs/dbraw/zinc/28/98/01/616289801.db2.gz BKCATIWZDYJTDC-ZIAGYGMSSA-N 2 2 296.415 0.197 20 0 CCADLP C[N@@H+]1CC[C@@H]1CNS(=O)(=O)C[C@@]12CC[NH+](C1)CCC2 ZINC000921411016 616303431 /nfs/dbraw/zinc/30/34/31/616303431.db2.gz JMKWYEMQLYFPHG-OLZOCXBDSA-N 2 2 287.429 0.096 20 0 CCADLP C[N@H+]1CC[C@@H]1CNS(=O)(=O)C[C@@]12CC[NH+](C1)CCC2 ZINC000921411016 616303435 /nfs/dbraw/zinc/30/34/35/616303435.db2.gz JMKWYEMQLYFPHG-OLZOCXBDSA-N 2 2 287.429 0.096 20 0 CCADLP C[NH+]1CC[C@@H]1CNS(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2 ZINC000921411016 616303439 /nfs/dbraw/zinc/30/34/39/616303439.db2.gz JMKWYEMQLYFPHG-OLZOCXBDSA-N 2 2 287.429 0.096 20 0 CCADLP COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@@H]1C ZINC000852653041 616307688 /nfs/dbraw/zinc/30/76/88/616307688.db2.gz JTUWNQLHGHJMDP-MELADBBJSA-N 2 2 284.400 0.574 20 0 CCADLP COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@@H]1C ZINC000852653041 616307693 /nfs/dbraw/zinc/30/76/93/616307693.db2.gz JTUWNQLHGHJMDP-MELADBBJSA-N 2 2 284.400 0.574 20 0 CCADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000900753988 616318842 /nfs/dbraw/zinc/31/88/42/616318842.db2.gz HAZWVQAZVGDEJN-WFASDCNBSA-N 2 2 292.383 0.455 20 0 CCADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCCNc1cccc[nH+]1 ZINC000900753988 616318844 /nfs/dbraw/zinc/31/88/44/616318844.db2.gz HAZWVQAZVGDEJN-WFASDCNBSA-N 2 2 292.383 0.455 20 0 CCADLP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)N3CCOCC3)CC[C@H]21 ZINC000879571318 616334160 /nfs/dbraw/zinc/33/41/60/616334160.db2.gz PKEVSEQVGHSXQU-ZIAGYGMSSA-N 2 2 281.400 0.261 20 0 CCADLP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)N3CCOCC3)CC[C@H]21 ZINC000879571318 616334161 /nfs/dbraw/zinc/33/41/61/616334161.db2.gz PKEVSEQVGHSXQU-ZIAGYGMSSA-N 2 2 281.400 0.261 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)N3CCOCC3)CC[C@H]21 ZINC000879571318 616334167 /nfs/dbraw/zinc/33/41/67/616334167.db2.gz PKEVSEQVGHSXQU-ZIAGYGMSSA-N 2 2 281.400 0.261 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)N3CCOCC3)CC[C@H]21 ZINC000879571318 616334171 /nfs/dbraw/zinc/33/41/71/616334171.db2.gz PKEVSEQVGHSXQU-ZIAGYGMSSA-N 2 2 281.400 0.261 20 0 CCADLP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000900446037 616341627 /nfs/dbraw/zinc/34/16/27/616341627.db2.gz KEGRJJAQIVDESX-SWLSCSKDSA-N 2 2 292.383 0.571 20 0 CCADLP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000900446037 616341633 /nfs/dbraw/zinc/34/16/33/616341633.db2.gz KEGRJJAQIVDESX-SWLSCSKDSA-N 2 2 292.383 0.571 20 0 CCADLP COC(=O)C1(C[N@H+]2CCc3[nH+]ccc(N)c3C2)CC1 ZINC000931516772 616356895 /nfs/dbraw/zinc/35/68/95/616356895.db2.gz AVDCYBOUEHEXSD-UHFFFAOYSA-N 2 2 261.325 0.975 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3csnn3)C2)C1 ZINC000970713461 616363309 /nfs/dbraw/zinc/36/33/09/616363309.db2.gz YDGZZTMBSVTQIS-WDEREUQCSA-N 2 2 295.412 0.180 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3csnn3)C2)C1 ZINC000970713461 616363312 /nfs/dbraw/zinc/36/33/12/616363312.db2.gz YDGZZTMBSVTQIS-WDEREUQCSA-N 2 2 295.412 0.180 20 0 CCADLP C[N@@H+]1C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC000887926681 616378583 /nfs/dbraw/zinc/37/85/83/616378583.db2.gz TYZTXXNKHWHNHL-RISCZKNCSA-N 2 2 262.357 0.752 20 0 CCADLP C[N@H+]1C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC000887926681 616378586 /nfs/dbraw/zinc/37/85/86/616378586.db2.gz TYZTXXNKHWHNHL-RISCZKNCSA-N 2 2 262.357 0.752 20 0 CCADLP C[N@@H+]1C[C@@H]2C[NH+](C[C@H]3CN(C4CC4)C(=O)O3)C[C@]2(C)C1 ZINC000933734939 616385783 /nfs/dbraw/zinc/38/57/83/616385783.db2.gz YSXHZBRVKGZEKU-ZLDLUXBVSA-N 2 2 279.384 0.853 20 0 CCADLP C[N@H+]1C[C@@H]2C[NH+](C[C@H]3CN(C4CC4)C(=O)O3)C[C@]2(C)C1 ZINC000933734939 616385787 /nfs/dbraw/zinc/38/57/87/616385787.db2.gz YSXHZBRVKGZEKU-ZLDLUXBVSA-N 2 2 279.384 0.853 20 0 CCADLP C[NH+]1C[C@@H]2C[N@H+](C[C@H]3CN(C4CC4)C(=O)O3)C[C@]2(C)C1 ZINC000933734939 616385795 /nfs/dbraw/zinc/38/57/95/616385795.db2.gz YSXHZBRVKGZEKU-ZLDLUXBVSA-N 2 2 279.384 0.853 20 0 CCADLP C[NH+]1C[C@@H]2C[N@@H+](C[C@H]3CN(C4CC4)C(=O)O3)C[C@]2(C)C1 ZINC000933734939 616385800 /nfs/dbraw/zinc/38/58/00/616385800.db2.gz YSXHZBRVKGZEKU-ZLDLUXBVSA-N 2 2 279.384 0.853 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC000947981308 616390841 /nfs/dbraw/zinc/39/08/41/616390841.db2.gz VFMSJSFVZLJPOY-DGCLKSJQSA-N 2 2 294.399 0.876 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC000947981308 616390845 /nfs/dbraw/zinc/39/08/45/616390845.db2.gz VFMSJSFVZLJPOY-DGCLKSJQSA-N 2 2 294.399 0.876 20 0 CCADLP C[N@@H+]1C[C@]2(C)C[NH+](C[C@@H]3CCC(=O)O3)C[C@]2(C)C1 ZINC000931314213 616397616 /nfs/dbraw/zinc/39/76/16/616397616.db2.gz KKBDQWOMQGZBCF-FPMFFAJLSA-N 2 2 252.358 0.966 20 0 CCADLP C[N@H+]1C[C@]2(C)C[NH+](C[C@@H]3CCC(=O)O3)C[C@]2(C)C1 ZINC000931314213 616397619 /nfs/dbraw/zinc/39/76/19/616397619.db2.gz KKBDQWOMQGZBCF-FPMFFAJLSA-N 2 2 252.358 0.966 20 0 CCADLP C[NH+]1C[C@]2(C)C[N@H+](C[C@@H]3CCC(=O)O3)C[C@]2(C)C1 ZINC000931314213 616397623 /nfs/dbraw/zinc/39/76/23/616397623.db2.gz KKBDQWOMQGZBCF-FPMFFAJLSA-N 2 2 252.358 0.966 20 0 CCADLP C[NH+]1C[C@]2(C)C[N@@H+](C[C@@H]3CCC(=O)O3)C[C@]2(C)C1 ZINC000931314213 616397627 /nfs/dbraw/zinc/39/76/27/616397627.db2.gz KKBDQWOMQGZBCF-FPMFFAJLSA-N 2 2 252.358 0.966 20 0 CCADLP COCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968701349 616407605 /nfs/dbraw/zinc/40/76/05/616407605.db2.gz GAYCMQUHKAXXAC-STQMWFEESA-N 2 2 280.372 0.356 20 0 CCADLP COCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968701349 616407609 /nfs/dbraw/zinc/40/76/09/616407609.db2.gz GAYCMQUHKAXXAC-STQMWFEESA-N 2 2 280.372 0.356 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000944102156 616415302 /nfs/dbraw/zinc/41/53/02/616415302.db2.gz YCMUJMSBQQIJNQ-JSGCOSHPSA-N 2 2 294.399 0.436 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000944102156 616415305 /nfs/dbraw/zinc/41/53/05/616415305.db2.gz YCMUJMSBQQIJNQ-JSGCOSHPSA-N 2 2 294.399 0.436 20 0 CCADLP CN(CC(F)(F)F)C(=O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931434927 616443389 /nfs/dbraw/zinc/44/33/89/616443389.db2.gz BPIUGAVECUSDBI-WDEREUQCSA-N 2 2 293.333 0.891 20 0 CCADLP CN(CC(F)(F)F)C(=O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931434927 616443392 /nfs/dbraw/zinc/44/33/92/616443392.db2.gz BPIUGAVECUSDBI-WDEREUQCSA-N 2 2 293.333 0.891 20 0 CCADLP CN(CC(F)(F)F)C(=O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931434927 616443396 /nfs/dbraw/zinc/44/33/96/616443396.db2.gz BPIUGAVECUSDBI-WDEREUQCSA-N 2 2 293.333 0.891 20 0 CCADLP CN(CC(F)(F)F)C(=O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931434927 616443397 /nfs/dbraw/zinc/44/33/97/616443397.db2.gz BPIUGAVECUSDBI-WDEREUQCSA-N 2 2 293.333 0.891 20 0 CCADLP C[N@@H+]1CC[C@H]2C[NH+](CCN3C(=O)NC(C)(C)C3=O)CC[C@@H]21 ZINC000879572254 616445095 /nfs/dbraw/zinc/44/50/95/616445095.db2.gz WZGILIAZCHTGDR-RYUDHWBXSA-N 2 2 294.399 0.343 20 0 CCADLP C[N@H+]1CC[C@H]2C[NH+](CCN3C(=O)NC(C)(C)C3=O)CC[C@@H]21 ZINC000879572254 616445099 /nfs/dbraw/zinc/44/50/99/616445099.db2.gz WZGILIAZCHTGDR-RYUDHWBXSA-N 2 2 294.399 0.343 20 0 CCADLP C[NH+]1CC[C@H]2C[N@H+](CCN3C(=O)NC(C)(C)C3=O)CC[C@@H]21 ZINC000879572254 616445101 /nfs/dbraw/zinc/44/51/01/616445101.db2.gz WZGILIAZCHTGDR-RYUDHWBXSA-N 2 2 294.399 0.343 20 0 CCADLP C[NH+]1CC[C@H]2C[N@@H+](CCN3C(=O)NC(C)(C)C3=O)CC[C@@H]21 ZINC000879572254 616445104 /nfs/dbraw/zinc/44/51/04/616445104.db2.gz WZGILIAZCHTGDR-RYUDHWBXSA-N 2 2 294.399 0.343 20 0 CCADLP COC(=O)[C@@H]1[C@@H](C[NH2+]C(C)(C)C[NH+](C)C)C1(F)F ZINC000894969310 616503937 /nfs/dbraw/zinc/50/39/37/616503937.db2.gz KDAJJLRBISEKAN-BDAKNGLRSA-N 2 2 264.316 0.971 20 0 CCADLP COCCOC[C@H]1CC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903898221 616568652 /nfs/dbraw/zinc/56/86/52/616568652.db2.gz MMFFBHFKHGNIGQ-WDEREUQCSA-N 2 2 266.332 0.954 20 0 CCADLP COCCOC[C@H]1CC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903898221 616568654 /nfs/dbraw/zinc/56/86/54/616568654.db2.gz MMFFBHFKHGNIGQ-WDEREUQCSA-N 2 2 266.332 0.954 20 0 CCADLP COCC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000899247075 616646401 /nfs/dbraw/zinc/64/64/01/616646401.db2.gz FBIVASFNAKASII-QWHCGFSZSA-N 2 2 295.387 0.292 20 0 CCADLP COCC(C)(C)[NH+]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000911288224 616721007 /nfs/dbraw/zinc/72/10/07/616721007.db2.gz LXCGMLKNMGOIRB-UHFFFAOYSA-N 2 2 280.372 0.521 20 0 CCADLP COC[C@@H](C)NC(=[NH2+])NCCCCn1cc[nH+]c1 ZINC000848995446 616818578 /nfs/dbraw/zinc/81/85/78/616818578.db2.gz KINRYIYSMWACRQ-LLVKDONJSA-N 2 2 253.350 0.812 20 0 CCADLP COC(=O)N1CCC[C@H]([NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)C1 ZINC000817903446 616839111 /nfs/dbraw/zinc/83/91/11/616839111.db2.gz PCYYVSAGPAIPMU-AVGNSLFASA-N 2 2 285.388 0.574 20 0 CCADLP COC(=O)NC1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000852770485 616859050 /nfs/dbraw/zinc/85/90/50/616859050.db2.gz PUUACAWUCCJBBN-ZDUSSCGKSA-N 2 2 285.388 0.264 20 0 CCADLP COC(=O)c1ccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])cc1C ZINC000904351182 616898488 /nfs/dbraw/zinc/89/84/88/616898488.db2.gz VXGLFSNPIIUZEW-CQSZACIVSA-N 2 2 291.395 0.856 20 0 CCADLP COC(=O)c1ccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])cc1C ZINC000904351182 616898493 /nfs/dbraw/zinc/89/84/93/616898493.db2.gz VXGLFSNPIIUZEW-CQSZACIVSA-N 2 2 291.395 0.856 20 0 CCADLP COC[C@@H]([NH2+]CCn1cc[nH+]c1)[C@H]1CCCOC1 ZINC000883165978 616900426 /nfs/dbraw/zinc/90/04/26/616900426.db2.gz QAUKANGTIQDPHQ-QWHCGFSZSA-N 2 2 253.346 0.914 20 0 CCADLP COCC[N@H+](C)CCNC(=[NH2+])NC[C@@H]1CCCS1 ZINC000905040807 616956427 /nfs/dbraw/zinc/95/64/27/616956427.db2.gz CARDHHWSYBKHAX-NSHDSACASA-N 2 2 274.434 0.574 20 0 CCADLP COCC[N@@H+](C)CCNC(=[NH2+])NC[C@@H]1CCCS1 ZINC000905040807 616956432 /nfs/dbraw/zinc/95/64/32/616956432.db2.gz CARDHHWSYBKHAX-NSHDSACASA-N 2 2 274.434 0.574 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](O)CC(C)(C)C1 ZINC000879624048 616965940 /nfs/dbraw/zinc/96/59/40/616965940.db2.gz LDSLWMAXWCTEFI-CHWSQXEVSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](O)CC(C)(C)C1 ZINC000879624048 616965946 /nfs/dbraw/zinc/96/59/46/616965946.db2.gz LDSLWMAXWCTEFI-CHWSQXEVSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879624048 616965948 /nfs/dbraw/zinc/96/59/48/616965948.db2.gz LDSLWMAXWCTEFI-CHWSQXEVSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879624048 616965955 /nfs/dbraw/zinc/96/59/55/616965955.db2.gz LDSLWMAXWCTEFI-CHWSQXEVSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000933385329 616966708 /nfs/dbraw/zinc/96/67/08/616966708.db2.gz GJOLAWACIPPBEX-KCQAQPDRSA-N 2 2 284.400 0.227 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000933385329 616966710 /nfs/dbraw/zinc/96/67/10/616966710.db2.gz GJOLAWACIPPBEX-KCQAQPDRSA-N 2 2 284.400 0.227 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(n2cccn2)CC1 ZINC000846802061 616967403 /nfs/dbraw/zinc/96/74/03/616967403.db2.gz FKHFOVSUXPXEQZ-HNNXBMFYSA-N 2 2 296.415 0.459 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(n2cccn2)CC1 ZINC000846802061 616967406 /nfs/dbraw/zinc/96/74/06/616967406.db2.gz FKHFOVSUXPXEQZ-HNNXBMFYSA-N 2 2 296.415 0.459 20 0 CCADLP COCC[N@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000849133510 616969161 /nfs/dbraw/zinc/96/91/61/616969161.db2.gz YCGBPXFFRAKPRL-LLVKDONJSA-N 2 2 253.350 0.281 20 0 CCADLP COCC[N@@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000849133510 616969165 /nfs/dbraw/zinc/96/91/65/616969165.db2.gz YCGBPXFFRAKPRL-LLVKDONJSA-N 2 2 253.350 0.281 20 0 CCADLP C[NH2+]C[C@H]1CCCC[N@@H+]1CCC(=O)N(C)CC(=O)OC ZINC000883449782 616996434 /nfs/dbraw/zinc/99/64/34/616996434.db2.gz LFDRKFZXIJDQMP-GFCCVEGCSA-N 2 2 285.388 0.082 20 0 CCADLP C[NH2+]C[C@H]1CCCC[N@H+]1CCC(=O)N(C)CC(=O)OC ZINC000883449782 616996439 /nfs/dbraw/zinc/99/64/39/616996439.db2.gz LFDRKFZXIJDQMP-GFCCVEGCSA-N 2 2 285.388 0.082 20 0 CCADLP C[NH2+][C@@H](CC(C)C)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000884197156 617044147 /nfs/dbraw/zinc/04/41/47/617044147.db2.gz LVGJUBGOBBHLMN-GJZGRUSLSA-N 2 2 297.443 0.944 20 0 CCADLP CON(C)C(=O)[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000858588960 617053480 /nfs/dbraw/zinc/05/34/80/617053480.db2.gz WHFPSQXSQWTAMH-DGCLKSJQSA-N 2 2 285.388 0.238 20 0 CCADLP CON(C)C(=O)[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000858580772 617068461 /nfs/dbraw/zinc/06/84/61/617068461.db2.gz WHFPSQXSQWTAMH-AAEUAGOBSA-N 2 2 285.388 0.238 20 0 CCADLP COC[C@H](C)NC(=[NH2+])NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000849049517 617074464 /nfs/dbraw/zinc/07/44/64/617074464.db2.gz RTFHVFHHKAHGHB-QNWHQSFQSA-N 2 2 286.420 0.633 20 0 CCADLP COC[C@H](C)NC(=[NH2+])NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000849049517 617074467 /nfs/dbraw/zinc/07/44/67/617074467.db2.gz RTFHVFHHKAHGHB-QNWHQSFQSA-N 2 2 286.420 0.633 20 0 CCADLP CON1CC[C@H]([N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000929532290 617098185 /nfs/dbraw/zinc/09/81/85/617098185.db2.gz LATWUDRKFMOJGU-NEPJUHHUSA-N 2 2 264.329 0.682 20 0 CCADLP CON1CC[C@H]([N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1=O ZINC000929532290 617098186 /nfs/dbraw/zinc/09/81/86/617098186.db2.gz LATWUDRKFMOJGU-NEPJUHHUSA-N 2 2 264.329 0.682 20 0 CCADLP CO[C@@H]1CC[C@@H]1[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CC[C@@H]1OC ZINC000934115412 617106185 /nfs/dbraw/zinc/10/61/85/617106185.db2.gz GZNJOYUYQIEBOS-CUZDEVPKSA-N 2 2 286.416 0.566 20 0 CCADLP CO[C@@H]1CC[C@@H]1[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CC[C@@H]1OC ZINC000934115412 617106186 /nfs/dbraw/zinc/10/61/86/617106186.db2.gz GZNJOYUYQIEBOS-CUZDEVPKSA-N 2 2 286.416 0.566 20 0 CCADLP CO[C@@H]1CC[C@@H]1[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H]1CC[C@@H]1OC ZINC000934115412 617106187 /nfs/dbraw/zinc/10/61/87/617106187.db2.gz GZNJOYUYQIEBOS-CUZDEVPKSA-N 2 2 286.416 0.566 20 0 CCADLP CO[C@@H]1CC[C@@H]1[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H]1CC[C@@H]1OC ZINC000934115412 617106188 /nfs/dbraw/zinc/10/61/88/617106188.db2.gz GZNJOYUYQIEBOS-CUZDEVPKSA-N 2 2 286.416 0.566 20 0 CCADLP CONC(=O)C1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000879926459 617108505 /nfs/dbraw/zinc/10/85/05/617108505.db2.gz SGFYLNKKBUWXRB-UHFFFAOYSA-N 2 2 280.372 0.742 20 0 CCADLP CONC(=O)C1CC[NH+](C[C@@H]([NH3+])CC(C)C)CC1 ZINC000873227079 617108652 /nfs/dbraw/zinc/10/86/52/617108652.db2.gz GNJAPHGEGIUVGN-LBPRGKRZSA-N 2 2 257.378 0.749 20 0 CCADLP CO[C@H]1COCC[C@H]1[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000883461135 617116381 /nfs/dbraw/zinc/11/63/81/617116381.db2.gz OKXKHAQEPYGTKZ-ZJUUUORDSA-N 2 2 284.360 0.499 20 0 CCADLP CO[C@H]1COCC[C@H]1[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000883461135 617116382 /nfs/dbraw/zinc/11/63/82/617116382.db2.gz OKXKHAQEPYGTKZ-ZJUUUORDSA-N 2 2 284.360 0.499 20 0 CCADLP CO[C@@H](C)C[NH+]1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC000949318106 617153859 /nfs/dbraw/zinc/15/38/59/617153859.db2.gz XEGBVBKCBJEUOT-ZDUSSCGKSA-N 2 2 280.372 0.371 20 0 CCADLP C[C@H](C[NH2+][C@H]1CCC[NH2+][C@H]1C)CN1CCOCC1 ZINC000925510262 625335931 /nfs/dbraw/zinc/33/59/31/625335931.db2.gz VINUOFJNEZWWJC-RDBSUJKOSA-N 2 2 255.406 0.685 20 0 CCADLP C[C@H](CN[C@H]1CCC[NH2+][C@H]1C)C[NH+]1CCOCC1 ZINC000925510262 625335936 /nfs/dbraw/zinc/33/59/36/625335936.db2.gz VINUOFJNEZWWJC-RDBSUJKOSA-N 2 2 255.406 0.685 20 0 CCADLP Cc1ccc(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)c(=O)n1C ZINC000925655225 625474400 /nfs/dbraw/zinc/47/44/00/625474400.db2.gz FRBOUXXCDDIQJL-LXFSFDBISA-N 2 2 273.380 0.780 20 0 CCADLP C[C@H](O)C[NH2+]C1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001026613321 625481377 /nfs/dbraw/zinc/48/13/77/625481377.db2.gz CFHJSQFSKJYNCO-HIFPTAJRSA-N 2 2 280.372 0.281 20 0 CCADLP C[C@H]([NH3+])[C@@H]([NH2+]C[C@@H](O)Cn1ccnn1)c1ccccc1 ZINC000925685059 625559602 /nfs/dbraw/zinc/55/96/02/625559602.db2.gz FHNGHXGFJKMJBU-IACUBPJLSA-N 2 2 275.356 0.317 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000925689953 625577049 /nfs/dbraw/zinc/57/70/49/625577049.db2.gz IWGTWVSRCWHZOB-FQUUOJAGSA-N 2 2 253.390 0.580 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000892168790 622635412 /nfs/dbraw/zinc/63/54/12/622635412.db2.gz GVIMLUACFPEYRT-VHSXEESVSA-N 2 2 251.334 0.347 20 0 CCADLP Cc1cc(N)nc(NCC[N@@H+]2CCO[C@H](C)C2)[nH+]1 ZINC000892247053 622688822 /nfs/dbraw/zinc/68/88/22/622688822.db2.gz RGXHTUHCYSBMPP-SNVBAGLBSA-N 2 2 251.334 0.500 20 0 CCADLP Cc1cc(N)nc(NCC[N@H+]2CCO[C@H](C)C2)[nH+]1 ZINC000892247053 622688826 /nfs/dbraw/zinc/68/88/26/622688826.db2.gz RGXHTUHCYSBMPP-SNVBAGLBSA-N 2 2 251.334 0.500 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC001022888919 622834223 /nfs/dbraw/zinc/83/42/23/622834223.db2.gz UJCBZAMWKFCDKP-UPJWGTAASA-N 2 2 292.383 0.616 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001023024965 622887020 /nfs/dbraw/zinc/88/70/20/622887020.db2.gz OFXMLFLNVGEWMA-RWMBFGLXSA-N 2 2 292.383 0.534 20 0 CCADLP Cc1cc(N)nc(N[C@H](C)[C@@H](C)[NH+]2CCOCC2)[nH+]1 ZINC000892339437 622920211 /nfs/dbraw/zinc/92/02/11/622920211.db2.gz ICWSKUKVAJHZJH-GHMZBOCLSA-N 2 2 265.361 0.888 20 0 CCADLP Cc1conc1C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001023161180 622935102 /nfs/dbraw/zinc/93/51/02/622935102.db2.gz RHMSZGUHKKTDEC-TXEJJXNPSA-N 2 2 289.339 0.617 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC2CC2)C1 ZINC001024913160 623485785 /nfs/dbraw/zinc/48/57/85/623485785.db2.gz VJRQHOKUWSWQHM-CABCVRRESA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CC2CC2)C1 ZINC001024913160 623485791 /nfs/dbraw/zinc/48/57/91/623485791.db2.gz VJRQHOKUWSWQHM-CABCVRRESA-N 2 2 295.427 0.698 20 0 CCADLP COc1c(C)c[nH+]c(CNC(=O)[C@H]2C[NH2+]CCO2)c1C ZINC000166467738 623710285 /nfs/dbraw/zinc/71/02/85/623710285.db2.gz ZISIOWWIOMFBTH-GFCCVEGCSA-N 2 2 279.340 0.312 20 0 CCADLP CC(C)[C@@H](CNC1=[NH+]C[C@@H](C)N1)[NH+]1CCN(C)CC1 ZINC000311488891 623745322 /nfs/dbraw/zinc/74/53/22/623745322.db2.gz MRCJTBAKXKFRGN-CHWSQXEVSA-N 2 2 267.421 0.196 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@@H]([NH2+]CCF)C1 ZINC000969518238 624514809 /nfs/dbraw/zinc/51/48/09/624514809.db2.gz GBQUMJBMFHNYJT-LLVKDONJSA-N 2 2 254.309 0.433 20 0 CCADLP COc1nn(C)cc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000902455155 634389673 /nfs/dbraw/zinc/38/96/73/634389673.db2.gz JQVNNBUJNHOVBX-MGPQQGTHSA-N 2 2 294.399 0.675 20 0 CCADLP CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001020603530 624547756 /nfs/dbraw/zinc/54/77/56/624547756.db2.gz FHLOOHKPOARKEK-DDHJBXDOSA-N 2 2 262.357 0.780 20 0 CCADLP O=C(c1ccc2c[nH+]cn2c1)N1CC[NH+](CCCO)CC1 ZINC000949307608 624585122 /nfs/dbraw/zinc/58/51/22/624585122.db2.gz LDQVHPIDMNFZEJ-UHFFFAOYSA-N 2 2 288.351 0.475 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CC2)C1 ZINC001020980655 624634606 /nfs/dbraw/zinc/63/46/06/624634606.db2.gz PWVMJGKLDZGZBC-HAQNSBGRSA-N 2 2 262.357 0.907 20 0 CCADLP C[C@@H]1COC[C@@H]1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000926022421 624641228 /nfs/dbraw/zinc/64/12/28/624641228.db2.gz OCQWVBFZUBBXMW-OLZOCXBDSA-N 2 2 286.420 0.204 20 0 CCADLP C[C@@H]1COC[C@@H]1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000926022421 624641229 /nfs/dbraw/zinc/64/12/29/624641229.db2.gz OCQWVBFZUBBXMW-OLZOCXBDSA-N 2 2 286.420 0.204 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]Cc2cccnc2)C1 ZINC001021127010 624663156 /nfs/dbraw/zinc/66/31/56/624663156.db2.gz CTKNVKJHZPKRNS-HDJSIYSDSA-N 2 2 285.351 0.715 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]Cc2ccon2)C1 ZINC000970721642 624738882 /nfs/dbraw/zinc/73/88/82/624738882.db2.gz PATOCVFSJALZNX-CYBMUJFWSA-N 2 2 289.339 0.570 20 0 CCADLP Cc1csc2nc(C[N@@H+]3CC[C@@H](C[NH3+])C3)cc(=O)n12 ZINC000050247443 624803516 /nfs/dbraw/zinc/80/35/16/624803516.db2.gz STPVWZOCDREZBW-JTQLQIEISA-N 2 2 278.381 0.845 20 0 CCADLP Cc1csc2nc(C[N@H+]3CC[C@@H](C[NH3+])C3)cc(=O)n12 ZINC000050247443 624803517 /nfs/dbraw/zinc/80/35/17/624803517.db2.gz STPVWZOCDREZBW-JTQLQIEISA-N 2 2 278.381 0.845 20 0 CCADLP [NH3+]C[C@@H]1CC[N@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000050247232 624804157 /nfs/dbraw/zinc/80/41/57/624804157.db2.gz JTXYIGBGGUFDMP-VIFPVBQESA-N 2 2 264.354 0.537 20 0 CCADLP [NH3+]C[C@@H]1CC[N@@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000050247232 624804163 /nfs/dbraw/zinc/80/41/63/624804163.db2.gz JTXYIGBGGUFDMP-VIFPVBQESA-N 2 2 264.354 0.537 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000891350760 624822220 /nfs/dbraw/zinc/82/22/20/624822220.db2.gz UYPIRGABYGDTEM-IPYPFGDCSA-N 2 2 296.415 0.291 20 0 CCADLP CC[C@@H]1CN(C(=O)c2coc(C[NH3+])c2)CC[N@@H+]1CCOC ZINC000188188512 624837131 /nfs/dbraw/zinc/83/71/31/624837131.db2.gz QLDOCSDAXGRZDN-CYBMUJFWSA-N 2 2 295.383 0.921 20 0 CCADLP CC[C@@H]1CN(C(=O)c2coc(C[NH3+])c2)CC[N@H+]1CCOC ZINC000188188512 624837132 /nfs/dbraw/zinc/83/71/32/624837132.db2.gz QLDOCSDAXGRZDN-CYBMUJFWSA-N 2 2 295.383 0.921 20 0 CCADLP Cc1cc(N)nc(N2CC[NH+](C[C@@H]3CCCO3)CC2)[nH+]1 ZINC000891509876 624880700 /nfs/dbraw/zinc/88/07/00/624880700.db2.gz QJOFPBUFLLHAAG-LBPRGKRZSA-N 2 2 277.372 0.668 20 0 CCADLP Cn1cnnc1N1CC[NH+]([C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925714685 625720313 /nfs/dbraw/zinc/72/03/13/625720313.db2.gz UTDTZLZSLZLBAG-RYUDHWBXSA-N 2 2 276.388 0.207 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](C[NH2+]Cc2cccnc2)C1 ZINC001027090989 625727277 /nfs/dbraw/zinc/72/72/77/625727277.db2.gz BHELATRYAGEAFW-CQSZACIVSA-N 2 2 299.378 0.986 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000903439981 634563154 /nfs/dbraw/zinc/56/31/54/634563154.db2.gz SARVYRVPZCJIFU-WOPDTQHZSA-N 2 2 260.403 0.208 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000903439981 634563159 /nfs/dbraw/zinc/56/31/59/634563159.db2.gz SARVYRVPZCJIFU-WOPDTQHZSA-N 2 2 260.403 0.208 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000903479909 634575834 /nfs/dbraw/zinc/57/58/34/634575834.db2.gz ZGUWZGMJZUFZPQ-VPOLOUISSA-N 3 2 265.323 0.911 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000903479909 634575841 /nfs/dbraw/zinc/57/58/41/634575841.db2.gz ZGUWZGMJZUFZPQ-VPOLOUISSA-N 3 2 265.323 0.911 20 0 CCADLP C[C@]1(C2CC[NH+](C[C@@H]3C[NH2+]CCO3)CC2)COC(=O)N1 ZINC000903563434 634606899 /nfs/dbraw/zinc/60/68/99/634606899.db2.gz CNAAIVXEMUABKK-GXTWGEPZSA-N 2 2 283.372 0.185 20 0 CCADLP O=C1C[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCN1C1CC1 ZINC000903729867 634632492 /nfs/dbraw/zinc/63/24/92/634632492.db2.gz RUFBJNPDBUIBGC-AWEZNQCLSA-N 2 2 293.411 0.452 20 0 CCADLP O=C1C[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCN1C1CC1 ZINC000903729867 634632495 /nfs/dbraw/zinc/63/24/95/634632495.db2.gz RUFBJNPDBUIBGC-AWEZNQCLSA-N 2 2 293.411 0.452 20 0 CCADLP FCCn1cc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cn1 ZINC000903750247 634636057 /nfs/dbraw/zinc/63/60/57/634636057.db2.gz VWUTZNGYLCIWIX-AWEZNQCLSA-N 2 2 281.379 0.332 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000903803176 634655970 /nfs/dbraw/zinc/65/59/70/634655970.db2.gz WGJDWPZUTMLVSU-KCQAQPDRSA-N 3 2 265.401 0.711 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000903803176 634655972 /nfs/dbraw/zinc/65/59/72/634655972.db2.gz WGJDWPZUTMLVSU-KCQAQPDRSA-N 3 2 265.401 0.711 20 0 CCADLP O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869944 634671186 /nfs/dbraw/zinc/67/11/86/634671186.db2.gz KZTZPKOLYXFHFK-ZNMIVQPWSA-N 2 2 284.400 0.371 20 0 CCADLP O[C@H](COC[C@H]1CCCO1)C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869944 634671190 /nfs/dbraw/zinc/67/11/90/634671190.db2.gz KZTZPKOLYXFHFK-ZNMIVQPWSA-N 2 2 284.400 0.371 20 0 CCADLP [NH3+][C@@H](CC(F)F)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000903918163 634696221 /nfs/dbraw/zinc/69/62/21/634696221.db2.gz UDBBEVWEVDMTRD-LOWVWBTDSA-N 3 2 277.359 0.797 20 0 CCADLP C[C@@]1(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)CCC[NH2+]C1 ZINC000904350482 634733411 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Cc1ncoc1C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001010382317 650213307 /nfs/dbraw/zinc/21/33/07/650213307.db2.gz HUAZJBBDFOJWGX-CHWSQXEVSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1ncoc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010382317 650213313 /nfs/dbraw/zinc/21/33/13/650213313.db2.gz HUAZJBBDFOJWGX-CHWSQXEVSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1ncoc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010382317 650213317 /nfs/dbraw/zinc/21/33/17/650213317.db2.gz HUAZJBBDFOJWGX-CHWSQXEVSA-N 2 2 292.383 0.768 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H](C)[NH2+]1 ZINC000911793855 636386169 /nfs/dbraw/zinc/38/61/69/636386169.db2.gz DCJMUOLTVYWXFT-TUAOUCFPSA-N 2 2 262.357 0.654 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CCO1 ZINC000911879956 636429568 /nfs/dbraw/zinc/42/95/68/636429568.db2.gz ITSSSMYLXGLHQK-GVXVVHGQSA-N 2 2 278.356 0.020 20 0 CCADLP C[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)[C@@H]1CCCO1 ZINC000912387312 636561899 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CCADLP CC[C@@H](C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)[NH+](C)C ZINC000163957220 636854155 /nfs/dbraw/zinc/85/41/55/636854155.db2.gz XYGRCCDWMZFTSX-XQQFMLRXSA-N 2 2 271.405 0.552 20 0 CCADLP C(c1nnnn1C1CC1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063200903 637208186 /nfs/dbraw/zinc/20/81/86/637208186.db2.gz ULXGYDFFSKFOHQ-ZDUSSCGKSA-N 2 2 276.388 0.972 20 0 CCADLP O=C(N[C@H]1CC[N@@H+](CCF)C1)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001015325158 637572403 /nfs/dbraw/zinc/57/24/03/637572403.db2.gz QQFCYZJEATXWAI-SBEAFCBVSA-N 2 2 297.374 0.010 20 0 CCADLP O=C(N[C@H]1CC[N@H+](CCF)C1)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001015325158 637572413 /nfs/dbraw/zinc/57/24/13/637572413.db2.gz QQFCYZJEATXWAI-SBEAFCBVSA-N 2 2 297.374 0.010 20 0 CCADLP O=C(N[C@H]1CC[NH+](CCF)C1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001015325158 637572424 /nfs/dbraw/zinc/57/24/24/637572424.db2.gz QQFCYZJEATXWAI-SBEAFCBVSA-N 2 2 297.374 0.010 20 0 CCADLP Cc1[nH+]ccn1CCCCNC(=O)NC[C@H]1CC[N@@H+]1C ZINC000920265679 638130295 /nfs/dbraw/zinc/13/02/95/638130295.db2.gz IAKGWIQSDFKKKV-CYBMUJFWSA-N 2 2 279.388 0.975 20 0 CCADLP C[C@H](CC(=O)NC[C@@H](C)[NH+]1CCOCC1)C1CC[NH2+]CC1 ZINC000237644682 638233782 /nfs/dbraw/zinc/23/37/82/638233782.db2.gz QVUDOQHLTFDWSR-ZIAGYGMSSA-N 2 2 297.443 0.849 20 0 CCADLP CC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000995151380 638535540 /nfs/dbraw/zinc/53/55/40/638535540.db2.gz HRIXLNYABRLCLC-WDEREUQCSA-N 2 2 250.346 0.847 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC000997126866 638855355 /nfs/dbraw/zinc/85/53/55/638855355.db2.gz OSUYTAHIDPWLKN-LBPRGKRZSA-N 2 2 292.383 0.569 20 0 CCADLP Cn1nc2c(c1C[NH2+]C[C@H](O)C[NH+]1CCCCC1)CCC2 ZINC000921587501 638865538 /nfs/dbraw/zinc/86/55/38/638865538.db2.gz QNYXUIIITGSHOK-ZDUSSCGKSA-N 2 2 292.427 0.845 20 0 CCADLP O[C@H](C[NH2+]Cc1cnn(CCF)c1)C[NH+]1CCCCC1 ZINC000921586342 638865591 /nfs/dbraw/zinc/86/55/91/638865591.db2.gz KAPGNZBHISRDOS-CQSZACIVSA-N 2 2 284.379 0.789 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N2CC[C@H]3OCC[NH+](C)[C@H]3C2)CC[N@@H+]1C ZINC000925344514 638938265 /nfs/dbraw/zinc/93/82/65/638938265.db2.gz QMZNWJJCDTUWQN-YIYPIFLZSA-N 2 2 296.415 0.194 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N2CC[C@H]3OCC[NH+](C)[C@H]3C2)CC[N@H+]1C ZINC000925344514 638938267 /nfs/dbraw/zinc/93/82/67/638938267.db2.gz QMZNWJJCDTUWQN-YIYPIFLZSA-N 2 2 296.415 0.194 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)CC[NH+]1C ZINC000925344514 638938273 /nfs/dbraw/zinc/93/82/73/638938273.db2.gz QMZNWJJCDTUWQN-YIYPIFLZSA-N 2 2 296.415 0.194 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)CC[NH+]1C ZINC000925344514 638938275 /nfs/dbraw/zinc/93/82/75/638938275.db2.gz QMZNWJJCDTUWQN-YIYPIFLZSA-N 2 2 296.415 0.194 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]([NH2+]CC2CC2)C1 ZINC001000688643 639153028 /nfs/dbraw/zinc/15/30/28/639153028.db2.gz LOQOXYSSHWRTIY-CYBMUJFWSA-N 2 2 276.384 0.953 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1C ZINC000922079876 639481043 /nfs/dbraw/zinc/48/10/43/639481043.db2.gz UKGXMRNPGBXIER-IJLUTSLNSA-N 2 2 277.372 0.590 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC[N@H+]1C ZINC000922079876 639481044 /nfs/dbraw/zinc/48/10/44/639481044.db2.gz UKGXMRNPGBXIER-IJLUTSLNSA-N 2 2 277.372 0.590 20 0 CCADLP C[C@H](O)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001003068639 639500871 /nfs/dbraw/zinc/50/08/71/639500871.db2.gz VSILAFWSNKLNSB-CYZMBNFOSA-N 2 2 292.383 0.475 20 0 CCADLP C[C@H](O)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001003068639 639500874 /nfs/dbraw/zinc/50/08/74/639500874.db2.gz VSILAFWSNKLNSB-CYZMBNFOSA-N 2 2 292.383 0.475 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CC2(O)CCC3(CC2)OCCO3)n1C ZINC000922619756 639750586 /nfs/dbraw/zinc/75/05/86/639750586.db2.gz IVIJFDJMMMAXOE-UHFFFAOYSA-N 2 2 295.383 0.866 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NCC1([NH+](C)C)CC1 ZINC000922998060 639995931 /nfs/dbraw/zinc/99/59/31/639995931.db2.gz GZKXEFDATMOJLB-ZDUSSCGKSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H](C[NH3+])[N@H+](C)C[C@H](O)COc1ccc(F)cc1 ZINC000923289039 640071891 /nfs/dbraw/zinc/07/18/91/640071891.db2.gz DCNXTTRZGBFFAP-PWSUYJOCSA-N 2 2 256.321 0.844 20 0 CCADLP C[C@H](C[NH3+])[N@@H+](C)C[C@H](O)COc1ccc(F)cc1 ZINC000923289039 640071895 /nfs/dbraw/zinc/07/18/95/640071895.db2.gz DCNXTTRZGBFFAP-PWSUYJOCSA-N 2 2 256.321 0.844 20 0 CCADLP c1cn(C2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)c[nH+]1 ZINC000923322141 640083962 /nfs/dbraw/zinc/08/39/62/640083962.db2.gz LXWZWHUPWAKEQB-CQSZACIVSA-N 3 2 276.384 0.899 20 0 CCADLP [NH3+]CC[N@H+](CCO)C[C@H](O)CCc1ccccc1 ZINC000923332638 640090064 /nfs/dbraw/zinc/09/00/64/640090064.db2.gz UIUOTGFWAMGHMZ-CQSZACIVSA-N 2 2 252.358 0.233 20 0 CCADLP [NH3+]CC[N@@H+](CCO)C[C@H](O)CCc1ccccc1 ZINC000923332638 640090067 /nfs/dbraw/zinc/09/00/67/640090067.db2.gz UIUOTGFWAMGHMZ-CQSZACIVSA-N 2 2 252.358 0.233 20 0 CCADLP CO[C@@H](C)C[NH+]1CCC(N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001006060391 640094348 /nfs/dbraw/zinc/09/43/48/640094348.db2.gz OKNXQRPZPNEOFX-LBPRGKRZSA-N 2 2 294.399 0.910 20 0 CCADLP Cc1noc([C@@H](C)[N@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)n1 ZINC000923386085 640116431 /nfs/dbraw/zinc/11/64/31/640116431.db2.gz DCMNCNSZLLQKEK-KOLCDFICSA-N 2 2 266.345 0.749 20 0 CCADLP Cc1noc([C@@H](C)[N@@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)n1 ZINC000923386085 640116438 /nfs/dbraw/zinc/11/64/38/640116438.db2.gz DCMNCNSZLLQKEK-KOLCDFICSA-N 2 2 266.345 0.749 20 0 CCADLP OCC[NH2+]C1CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000923413554 640129308 /nfs/dbraw/zinc/12/93/08/640129308.db2.gz QVOIFOLECKANDS-OAHLLOKOSA-N 2 2 282.359 0.905 20 0 CCADLP [NH3+][C@]1(CO)CCC[N@H+](C[C@@H]2C[C@H]3CCC[C@H]3O2)C1 ZINC000923474748 640155259 /nfs/dbraw/zinc/15/52/59/640155259.db2.gz VKRGAJLKIMVXBY-XJFOESAGSA-N 2 2 254.374 0.730 20 0 CCADLP [NH3+][C@]1(CO)CCC[N@@H+](C[C@@H]2C[C@H]3CCC[C@H]3O2)C1 ZINC000923474748 640155262 /nfs/dbraw/zinc/15/52/62/640155262.db2.gz VKRGAJLKIMVXBY-XJFOESAGSA-N 2 2 254.374 0.730 20 0 CCADLP C[C@@H](C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)CS(C)(=O)=O ZINC000923519921 640174780 /nfs/dbraw/zinc/17/47/80/640174780.db2.gz XDDSRLUMDFKARF-SDDRHHMPSA-N 2 2 260.403 0.208 20 0 CCADLP C[C@@H](C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)CS(C)(=O)=O ZINC000923519921 640174785 /nfs/dbraw/zinc/17/47/85/640174785.db2.gz XDDSRLUMDFKARF-SDDRHHMPSA-N 2 2 260.403 0.208 20 0 CCADLP CN(C[C@H](O)C[NH+]1CCCC1)C(C)(C)C[NH+]1CCOCC1 ZINC000839673840 640353219 /nfs/dbraw/zinc/35/32/19/640353219.db2.gz KZJBXGKKOMAXPQ-HNNXBMFYSA-N 2 2 299.459 0.486 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCCC1)C(C)(C)CN1CCOCC1 ZINC000839673840 640353229 /nfs/dbraw/zinc/35/32/29/640353229.db2.gz KZJBXGKKOMAXPQ-HNNXBMFYSA-N 2 2 299.459 0.486 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C(C)(C)CN1CCOCC1 ZINC000839673840 640353236 /nfs/dbraw/zinc/35/32/36/640353236.db2.gz KZJBXGKKOMAXPQ-HNNXBMFYSA-N 2 2 299.459 0.486 20 0 CCADLP O=C1CC[C@H]([N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C(=O)N1 ZINC000799143820 640548167 /nfs/dbraw/zinc/54/81/67/640548167.db2.gz RTCMUYRCSBHXPW-BNOWGMLFSA-N 2 2 291.395 0.740 20 0 CCADLP O=C1CC[C@H]([N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C(=O)N1 ZINC000799143820 640548176 /nfs/dbraw/zinc/54/81/76/640548176.db2.gz RTCMUYRCSBHXPW-BNOWGMLFSA-N 2 2 291.395 0.740 20 0 CCADLP O=C1CC[C@H]([NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C(=O)N1 ZINC000799143820 640548183 /nfs/dbraw/zinc/54/81/83/640548183.db2.gz RTCMUYRCSBHXPW-BNOWGMLFSA-N 2 2 291.395 0.740 20 0 CCADLP O=C1CC[C@H]([NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C(=O)N1 ZINC000799143820 640548191 /nfs/dbraw/zinc/54/81/91/640548191.db2.gz RTCMUYRCSBHXPW-BNOWGMLFSA-N 2 2 291.395 0.740 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016395807 650725348 /nfs/dbraw/zinc/72/53/48/650725348.db2.gz AEPGQEPAQDQTQQ-RYUDHWBXSA-N 2 2 266.345 0.109 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016395807 650725352 /nfs/dbraw/zinc/72/53/52/650725352.db2.gz AEPGQEPAQDQTQQ-RYUDHWBXSA-N 2 2 266.345 0.109 20 0 CCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)[C@@]1(F)CC[NH2+]C1 ZINC000831443929 642363600 /nfs/dbraw/zinc/36/36/00/642363600.db2.gz REFYITAUQCFNQI-SMDDNHRTSA-N 2 2 278.331 0.478 20 0 CCADLP Cc1ccc(NC(=O)NCCC[NH3+])c(N(C)C)[nH+]1 ZINC000841155078 642805633 /nfs/dbraw/zinc/80/56/33/642805633.db2.gz RNPUSKZQWYKLME-UHFFFAOYSA-N 2 2 251.334 0.926 20 0 CCADLP Cn1c[nH+]cc1CNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000867273900 642838034 /nfs/dbraw/zinc/83/80/34/642838034.db2.gz GSMPCYJXJDMNFO-UHFFFAOYSA-N 2 2 286.401 0.325 20 0 CCADLP CC(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001017442308 650803254 /nfs/dbraw/zinc/80/32/54/650803254.db2.gz VMZMSAVFJVZNLQ-QLFBSQMISA-N 2 2 295.427 0.648 20 0 CCADLP CC(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001017442308 650803256 /nfs/dbraw/zinc/80/32/56/650803256.db2.gz VMZMSAVFJVZNLQ-QLFBSQMISA-N 2 2 295.427 0.648 20 0 CCADLP CC(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001017442308 650803257 /nfs/dbraw/zinc/80/32/57/650803257.db2.gz VMZMSAVFJVZNLQ-QLFBSQMISA-N 2 2 295.427 0.648 20 0 CCADLP CC(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001017442308 650803259 /nfs/dbraw/zinc/80/32/59/650803259.db2.gz VMZMSAVFJVZNLQ-QLFBSQMISA-N 2 2 295.427 0.648 20 0 CCADLP O=C1C[NH2+]CCN1Cc1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000843227110 643016369 /nfs/dbraw/zinc/01/63/69/643016369.db2.gz SYBKWQLTBTVTJT-UHFFFAOYSA-N 2 2 298.306 0.316 20 0 CCADLP C[C@@H]1C[C@H](C)N(C(=O)c2n[nH]c3c2C[NH2+]CC3)C[C@@H]1C[NH3+] ZINC000843501048 643086899 /nfs/dbraw/zinc/08/68/99/643086899.db2.gz APHIQCULSAHUFH-VWYCJHECSA-N 2 2 291.399 0.501 20 0 CCADLP [NH3+]CC[C@H]1CCCC[N@@H+]1CC(=O)NCc1ccccn1 ZINC000844224023 643186799 /nfs/dbraw/zinc/18/67/99/643186799.db2.gz LKJMCCXLVVWHAT-CQSZACIVSA-N 2 2 276.384 0.901 20 0 CCADLP [NH3+]CC[C@H]1CCCC[N@H+]1CC(=O)NCc1ccccn1 ZINC000844224023 643186800 /nfs/dbraw/zinc/18/68/00/643186800.db2.gz LKJMCCXLVVWHAT-CQSZACIVSA-N 2 2 276.384 0.901 20 0 CCADLP COCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001017780452 650821149 /nfs/dbraw/zinc/82/11/49/650821149.db2.gz MMNSIDMHNVWDEZ-OKILXGFUSA-N 2 2 292.383 0.595 20 0 CCADLP COCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001017780452 650821152 /nfs/dbraw/zinc/82/11/52/650821152.db2.gz MMNSIDMHNVWDEZ-OKILXGFUSA-N 2 2 292.383 0.595 20 0 CCADLP OCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC000848535197 643650153 /nfs/dbraw/zinc/65/01/53/643650153.db2.gz XSWXDAOYRWGMDU-GJZGRUSLSA-N 2 2 268.401 0.990 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848722593 643671775 /nfs/dbraw/zinc/67/17/75/643671775.db2.gz VPBAMBXGVYQERZ-NTZNESFSSA-N 2 2 283.372 0.326 20 0 CCADLP Cn1c[nH+]c(CCNC(=[NH2+])NC[C@@H]2CCCO2)c1 ZINC000849040109 643706442 /nfs/dbraw/zinc/70/64/42/643706442.db2.gz LCMFOXOIXMKGNL-NSHDSACASA-N 2 2 251.334 0.256 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(N2CCOC2=O)CC1)C1CC1 ZINC000852720595 643991017 /nfs/dbraw/zinc/99/10/17/643991017.db2.gz LZTPHJWTUCHECJ-CQSZACIVSA-N 2 2 297.399 0.358 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(N2CCOC2=O)CC1)C1CC1 ZINC000852720595 643991019 /nfs/dbraw/zinc/99/10/19/643991019.db2.gz LZTPHJWTUCHECJ-CQSZACIVSA-N 2 2 297.399 0.358 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000857107749 644468525 /nfs/dbraw/zinc/46/85/25/644468525.db2.gz GOHJXKCMHAAUCN-RWMBFGLXSA-N 2 2 284.404 0.228 20 0 CCADLP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CCn2cc[nH+]c2C1 ZINC000857847280 644565580 /nfs/dbraw/zinc/56/55/80/644565580.db2.gz MFCRMZSDNFSWBO-NXEZZACHSA-N 2 2 284.310 0.559 20 0 CCADLP Nc1nc(N)[nH+]c(NC2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000858347620 644611612 /nfs/dbraw/zinc/61/16/12/644611612.db2.gz DQJIZNINKDFQPK-JTQLQIEISA-N 2 2 293.375 0.091 20 0 CCADLP C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000861615614 644897894 /nfs/dbraw/zinc/89/78/94/644897894.db2.gz RWCJQEZFJYPDML-RYUDHWBXSA-N 2 2 277.372 0.649 20 0 CCADLP C[C@H]1CC[C@H]([NH2+]Cc2ccc(OCC(N)=O)cc2)C[NH2+]1 ZINC000863484810 645100152 /nfs/dbraw/zinc/10/01/52/645100152.db2.gz NCZJRAQGJSXXMJ-AAEUAGOBSA-N 2 2 277.368 0.781 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]([NH2+]CC2CCOCC2)C1 ZINC001019565901 650988708 /nfs/dbraw/zinc/98/87/08/650988708.db2.gz IBTODZQHVBGLDW-ZDUSSCGKSA-N 2 2 292.383 0.569 20 0 CCADLP C[C@@H](O)c1cn(CC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000864646059 645258191 /nfs/dbraw/zinc/25/81/91/645258191.db2.gz RVTUFMXXWYVSGF-LLVKDONJSA-N 2 2 255.366 0.215 20 0 CCADLP C[C@@H](O)c1cn(CC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000864646059 645258199 /nfs/dbraw/zinc/25/81/99/645258199.db2.gz RVTUFMXXWYVSGF-LLVKDONJSA-N 2 2 255.366 0.215 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001019867794 651011378 /nfs/dbraw/zinc/01/13/78/651011378.db2.gz KPYXQKLVZQFRPL-OLZOCXBDSA-N 2 2 278.356 0.110 20 0 CCADLP O=C([C@@H](O)c1c[nH+]c[nH]1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000866102243 645481214 /nfs/dbraw/zinc/48/12/14/645481214.db2.gz BWEIWACZXAEXFV-OCCSQVGLSA-N 2 2 292.383 0.778 20 0 CCADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000868335119 645751461 /nfs/dbraw/zinc/75/14/61/645751461.db2.gz DPOWMFWLOXLSDO-RTXFEEFZSA-N 2 2 278.356 0.528 20 0 CCADLP CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001020307373 651058011 /nfs/dbraw/zinc/05/80/11/651058011.db2.gz DCVGRHPBSWWQCJ-IJLUTSLNSA-N 2 2 262.357 0.702 20 0 CCADLP C[C@@H](C(=O)N1CC[NH2+][C@H](c2ccc(O)cc2)C1)[NH+](C)C ZINC000870084426 645959272 /nfs/dbraw/zinc/95/92/72/645959272.db2.gz RQVZRGYEZKLQOY-FZMZJTMJSA-N 2 2 277.368 0.815 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H](C)CO1 ZINC000870952905 646060806 /nfs/dbraw/zinc/06/08/06/646060806.db2.gz AFKQKLLPMUIBGN-IGQOVBAYSA-N 2 2 283.416 0.729 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H](C)CO1 ZINC000870952905 646060809 /nfs/dbraw/zinc/06/08/09/646060809.db2.gz AFKQKLLPMUIBGN-IGQOVBAYSA-N 2 2 283.416 0.729 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000870982594 646072073 /nfs/dbraw/zinc/07/20/73/646072073.db2.gz IZYAUUUULZPBBM-MRXNPFEDSA-N 2 2 296.459 0.742 20 0 CCADLP [NH3+]Cc1cn(-c2cccc(C[NH2+][C@H]3CCC[C@H]3[NH3+])c2)nn1 ZINC000873243035 646364838 /nfs/dbraw/zinc/36/48/38/646364838.db2.gz ITJKTGLAOZKNMV-CABCVRRESA-N 3 2 286.383 0.695 20 0 CCADLP Cc1nonc1CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000876437590 646606684 /nfs/dbraw/zinc/60/66/84/646606684.db2.gz LERTWWCCULXCFM-UHFFFAOYSA-N 2 2 298.391 0.061 20 0 CCADLP Cc1nonc1CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000876437590 646606687 /nfs/dbraw/zinc/60/66/87/646606687.db2.gz LERTWWCCULXCFM-UHFFFAOYSA-N 2 2 298.391 0.061 20 0 CCADLP Cc1cc(CNS(=O)(=O)[C@H]2CCC[NH2+]C2)cc(C)[nH+]1 ZINC000923648924 646609972 /nfs/dbraw/zinc/60/99/72/646609972.db2.gz JXVSBGHTFQIEJK-ZDUSSCGKSA-N 2 2 283.397 0.870 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@]23CCC[C@H]2[NH2+]CC3)CCO1 ZINC000876746280 646655751 /nfs/dbraw/zinc/65/57/51/646655751.db2.gz JRKLZINTZOWBGT-NFAWXSAZSA-N 2 2 281.400 0.356 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@]23CCC[C@H]2[NH2+]CC3)CCO1 ZINC000876746280 646655755 /nfs/dbraw/zinc/65/57/55/646655755.db2.gz JRKLZINTZOWBGT-NFAWXSAZSA-N 2 2 281.400 0.356 20 0 CCADLP [NH3+]C[C@@H]1[C@H](C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1(F)F ZINC000876768564 646660364 /nfs/dbraw/zinc/66/03/64/646660364.db2.gz ILZIOZDURZNWNE-MWLCHTKSSA-N 2 2 284.310 0.956 20 0 CCADLP [NH3+]C[C@@H]1[C@H](C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1(F)F ZINC000876768564 646660368 /nfs/dbraw/zinc/66/03/68/646660368.db2.gz ILZIOZDURZNWNE-MWLCHTKSSA-N 2 2 284.310 0.956 20 0 CCADLP [NH3+]C[C@H]1CC[C@H](NC(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000877181669 646751373 /nfs/dbraw/zinc/75/13/73/646751373.db2.gz PITVQYDZGAYLMU-DUYGPWGFSA-N 2 2 281.400 0.509 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C(C)(C)C[NH3+] ZINC000877432269 646814454 /nfs/dbraw/zinc/81/44/54/646814454.db2.gz CPICOKZNOKZHFK-NSHDSACASA-N 2 2 257.378 0.198 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C(C)(C)C[NH3+] ZINC000877432269 646814457 /nfs/dbraw/zinc/81/44/57/646814457.db2.gz CPICOKZNOKZHFK-NSHDSACASA-N 2 2 257.378 0.198 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C)CC2)C[C@@H](C2CC2)O1 ZINC000878533990 646931300 /nfs/dbraw/zinc/93/13/00/646931300.db2.gz CPDJTDJJCPUOPV-DOMZBBRYSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C[C@@H](C2CC2)O1 ZINC000878533990 646931301 /nfs/dbraw/zinc/93/13/01/646931301.db2.gz CPDJTDJJCPUOPV-DOMZBBRYSA-N 2 2 295.427 0.696 20 0 CCADLP NC(=O)[C@@H](C1CC1)[N@H+](C[C@@H](O)C[NH+]1CCCC1)CC1CC1 ZINC000879490979 647065610 /nfs/dbraw/zinc/06/56/10/647065610.db2.gz ANGQDPIBUYLLDJ-LSDHHAIUSA-N 2 2 295.427 0.419 20 0 CCADLP NC(=O)[C@@H](C1CC1)[N@@H+](C[C@@H](O)C[NH+]1CCCC1)CC1CC1 ZINC000879490979 647065614 /nfs/dbraw/zinc/06/56/14/647065614.db2.gz ANGQDPIBUYLLDJ-LSDHHAIUSA-N 2 2 295.427 0.419 20 0 CCADLP Cn1ccc(C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1=O ZINC000879571053 647075733 /nfs/dbraw/zinc/07/57/33/647075733.db2.gz MFHQIGBKBHOLKM-KGLIPLIRSA-N 2 2 261.369 0.911 20 0 CCADLP Cn1ccc(C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)cc1=O ZINC000879571053 647075736 /nfs/dbraw/zinc/07/57/36/647075736.db2.gz MFHQIGBKBHOLKM-KGLIPLIRSA-N 2 2 261.369 0.911 20 0 CCADLP Cn1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1=O ZINC000879571053 647075737 /nfs/dbraw/zinc/07/57/37/647075737.db2.gz MFHQIGBKBHOLKM-KGLIPLIRSA-N 2 2 261.369 0.911 20 0 CCADLP Cn1ccc(C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1=O ZINC000879571053 647075739 /nfs/dbraw/zinc/07/57/39/647075739.db2.gz MFHQIGBKBHOLKM-KGLIPLIRSA-N 2 2 261.369 0.911 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000879726300 647104268 /nfs/dbraw/zinc/10/42/68/647104268.db2.gz VKGJHZYYWOCJRC-KGLIPLIRSA-N 2 2 292.383 0.332 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000879726300 647104272 /nfs/dbraw/zinc/10/42/72/647104272.db2.gz VKGJHZYYWOCJRC-KGLIPLIRSA-N 2 2 292.383 0.332 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000879935979 647129310 /nfs/dbraw/zinc/12/93/10/647129310.db2.gz DGQGRJGIBCSKOC-OLZOCXBDSA-N 2 2 297.424 0.719 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000879935979 647129311 /nfs/dbraw/zinc/12/93/11/647129311.db2.gz DGQGRJGIBCSKOC-OLZOCXBDSA-N 2 2 297.424 0.719 20 0 CCADLP COCC1([N@H+](C)C[C@@H](O)C[NH+](C)C2CC2)CCC1 ZINC000880185267 647168143 /nfs/dbraw/zinc/16/81/43/647168143.db2.gz KNRGGBHMTHPWRB-ZDUSSCGKSA-N 2 2 256.390 0.942 20 0 CCADLP COCC1([N@@H+](C)C[C@@H](O)C[NH+](C)C2CC2)CCC1 ZINC000880185267 647168144 /nfs/dbraw/zinc/16/81/44/647168144.db2.gz KNRGGBHMTHPWRB-ZDUSSCGKSA-N 2 2 256.390 0.942 20 0 CCADLP COCC1([NH+](C)C[C@@H](O)C[N@H+](C)C2CC2)CCC1 ZINC000880185267 647168145 /nfs/dbraw/zinc/16/81/45/647168145.db2.gz KNRGGBHMTHPWRB-ZDUSSCGKSA-N 2 2 256.390 0.942 20 0 CCADLP COCC1([NH+](C)C[C@@H](O)C[N@@H+](C)C2CC2)CCC1 ZINC000880185267 647168146 /nfs/dbraw/zinc/16/81/46/647168146.db2.gz KNRGGBHMTHPWRB-ZDUSSCGKSA-N 2 2 256.390 0.942 20 0 CCADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCC(=O)NCC12COC2 ZINC000880401058 647195169 /nfs/dbraw/zinc/19/51/69/647195169.db2.gz ODAHCHQNGDZWBN-UHFFFAOYSA-N 2 2 292.383 0.563 20 0 CCADLP Cc1[nH+]ccn1CCCC[N@H+]1CCC(=O)NCC12COC2 ZINC000880401058 647195172 /nfs/dbraw/zinc/19/51/72/647195172.db2.gz ODAHCHQNGDZWBN-UHFFFAOYSA-N 2 2 292.383 0.563 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)CN1C(=O)CC(C)(C)C1=O ZINC000130578229 647468135 /nfs/dbraw/zinc/46/81/35/647468135.db2.gz WFFQCIVYLFDMQH-UHFFFAOYSA-N 2 2 278.356 0.948 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)CN1C(=O)CC(C)(C)C1=O ZINC000130578229 647468136 /nfs/dbraw/zinc/46/81/36/647468136.db2.gz WFFQCIVYLFDMQH-UHFFFAOYSA-N 2 2 278.356 0.948 20 0 CCADLP Cc1nc(NCC[N@@H+](C)CCOCCO)c(C)c(C)[nH+]1 ZINC000882951739 647468687 /nfs/dbraw/zinc/46/86/87/647468687.db2.gz SBIXUNLRZWZUIK-UHFFFAOYSA-N 2 2 282.388 0.754 20 0 CCADLP Cc1nc(NCC[N@H+](C)CCOCCO)c(C)c(C)[nH+]1 ZINC000882951739 647468689 /nfs/dbraw/zinc/46/86/89/647468689.db2.gz SBIXUNLRZWZUIK-UHFFFAOYSA-N 2 2 282.388 0.754 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N2CCC[NH2+]CC2)c[nH+]1 ZINC000884009044 647609294 /nfs/dbraw/zinc/60/92/94/647609294.db2.gz KALXOXJBDWJMQD-UHFFFAOYSA-N 2 2 250.346 0.749 20 0 CCADLP C[C@@](O)(C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)C(F)F ZINC000886285999 647957337 /nfs/dbraw/zinc/95/73/37/647957337.db2.gz YODUJTHBPFSWTN-WCQYABFASA-N 2 2 278.343 0.534 20 0 CCADLP C[C@@](O)(C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)C(F)F ZINC000886285999 647957338 /nfs/dbraw/zinc/95/73/38/647957338.db2.gz YODUJTHBPFSWTN-WCQYABFASA-N 2 2 278.343 0.534 20 0 CCADLP CS(=O)(=O)CCC[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886870325 648027375 /nfs/dbraw/zinc/02/73/75/648027375.db2.gz VZTNTYXGFCASKV-ZDUSSCGKSA-N 2 2 274.430 0.887 20 0 CCADLP CS(=O)(=O)CCC[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886870325 648027381 /nfs/dbraw/zinc/02/73/81/648027381.db2.gz VZTNTYXGFCASKV-ZDUSSCGKSA-N 2 2 274.430 0.887 20 0 CCADLP [NH3+][C@@H]1CCCN(Cc2cn(-c3cc[nH+]c(CO)c3)nn2)C1 ZINC000887419748 648104445 /nfs/dbraw/zinc/10/44/45/648104445.db2.gz ZFXCGYPSOPSFAR-LLVKDONJSA-N 2 2 288.355 0.078 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889769658 648248536 /nfs/dbraw/zinc/24/85/36/648248536.db2.gz MPZFLPYDXRFJLJ-KBPBESRZSA-N 2 2 292.383 0.331 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889769658 648248542 /nfs/dbraw/zinc/24/85/42/648248542.db2.gz MPZFLPYDXRFJLJ-KBPBESRZSA-N 2 2 292.383 0.331 20 0 CCADLP Cc1nonc1[C@@H](C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000924944458 648389849 /nfs/dbraw/zinc/38/98/49/648389849.db2.gz ANGDQUHGPSGCQT-SNVBAGLBSA-N 2 2 281.360 0.193 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@H]2CC[NH+]2C)[C@@H](C)CO1 ZINC000925434402 648434685 /nfs/dbraw/zinc/43/46/85/648434685.db2.gz JKPSLZPRKPBMBV-YNEHKIRRSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@H]2CC[NH+]2C)[C@@H](C)CO1 ZINC000925434402 648434688 /nfs/dbraw/zinc/43/46/88/648434688.db2.gz JKPSLZPRKPBMBV-YNEHKIRRSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@H]2CC[N@@H+]2C)[C@@H](C)CO1 ZINC000925434402 648434691 /nfs/dbraw/zinc/43/46/91/648434691.db2.gz JKPSLZPRKPBMBV-YNEHKIRRSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@H]2CC[N@H+]2C)[C@@H](C)CO1 ZINC000925434402 648434693 /nfs/dbraw/zinc/43/46/93/648434693.db2.gz JKPSLZPRKPBMBV-YNEHKIRRSA-N 2 2 284.404 0.099 20 0 CCADLP O=S1(=O)CCC[C@@H]1CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925765597 648459167 /nfs/dbraw/zinc/45/91/67/648459167.db2.gz LOHAOKGKXBJJOJ-NEPJUHHUSA-N 2 2 272.414 0.828 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](CO)C[C@@H]1CCCO1 ZINC000925765754 648459396 /nfs/dbraw/zinc/45/93/96/648459396.db2.gz DQQKGOGQJZIZBK-SYQHCUMBSA-N 2 2 272.389 0.273 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2ccc(F)nc2)CC1 ZINC000926069872 648484368 /nfs/dbraw/zinc/48/43/68/648484368.db2.gz UEQBNTPPVADTFY-UHFFFAOYSA-N 2 2 281.335 0.765 20 0 CCADLP C[C@@H]1COC[C@@H](C)C1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000926749996 648524375 /nfs/dbraw/zinc/52/43/75/648524375.db2.gz OKNRYFQNXFRKEZ-UPJWGTAASA-N 2 2 283.416 0.587 20 0 CCADLP C[C@@H]1COC[C@@H](C)C1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000926749996 648524380 /nfs/dbraw/zinc/52/43/80/648524380.db2.gz OKNRYFQNXFRKEZ-UPJWGTAASA-N 2 2 283.416 0.587 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928087600 648613677 /nfs/dbraw/zinc/61/36/77/648613677.db2.gz CROJPYRHBVOZEP-OLZOCXBDSA-N 2 2 294.424 0.659 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928087600 648613680 /nfs/dbraw/zinc/61/36/80/648613680.db2.gz CROJPYRHBVOZEP-OLZOCXBDSA-N 2 2 294.424 0.659 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[N@@H+]1C ZINC000928438220 648634546 /nfs/dbraw/zinc/63/45/46/648634546.db2.gz YRNZJAOQMOFIJD-WZRBSPASSA-N 2 2 262.357 0.654 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[N@H+]1C ZINC000928438220 648634551 /nfs/dbraw/zinc/63/45/51/648634551.db2.gz YRNZJAOQMOFIJD-WZRBSPASSA-N 2 2 262.357 0.654 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[NH+](CCCCCO)CC2)CCO1 ZINC000931497833 648996697 /nfs/dbraw/zinc/99/66/97/648996697.db2.gz WMQLNVAXNDNGDM-MRXNPFEDSA-N 2 2 299.459 0.487 20 0 CCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H](O)CC(C)(C)O ZINC000931718545 649021717 /nfs/dbraw/zinc/02/17/17/649021717.db2.gz ATXGWXYTKPTFSK-YNEHKIRRSA-N 2 2 256.390 0.677 20 0 CCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H](O)CC(C)(C)O ZINC000931718545 649021721 /nfs/dbraw/zinc/02/17/21/649021721.db2.gz ATXGWXYTKPTFSK-YNEHKIRRSA-N 2 2 256.390 0.677 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@H](O)CC(C)(C)O ZINC000931718545 649021724 /nfs/dbraw/zinc/02/17/24/649021724.db2.gz ATXGWXYTKPTFSK-YNEHKIRRSA-N 2 2 256.390 0.677 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@H](O)CC(C)(C)O ZINC000931718545 649021730 /nfs/dbraw/zinc/02/17/30/649021730.db2.gz ATXGWXYTKPTFSK-YNEHKIRRSA-N 2 2 256.390 0.677 20 0 CCADLP CO[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)C1 ZINC000189175590 649371570 /nfs/dbraw/zinc/37/15/70/649371570.db2.gz NEVSDQWCOSOJRW-MGPQQGTHSA-N 2 2 281.400 0.607 20 0 CCADLP CO[C@@H]1CC(=O)N(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)C1 ZINC000189175590 649371573 /nfs/dbraw/zinc/37/15/73/649371573.db2.gz NEVSDQWCOSOJRW-MGPQQGTHSA-N 2 2 281.400 0.607 20 0 CCADLP CO[C@@H]1CC(=O)N(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000189175590 649371574 /nfs/dbraw/zinc/37/15/74/649371574.db2.gz NEVSDQWCOSOJRW-MGPQQGTHSA-N 2 2 281.400 0.607 20 0 CCADLP CO[C@@H]1CC(=O)N(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000189175590 649371577 /nfs/dbraw/zinc/37/15/77/649371577.db2.gz NEVSDQWCOSOJRW-MGPQQGTHSA-N 2 2 281.400 0.607 20 0 CCADLP CCCc1cc(N2CCN3CC[NH2+]C[C@H]3C2)nc(C)[nH+]1 ZINC001164398789 718836647 /nfs/dbraw/zinc/83/66/47/718836647.db2.gz LJUUHMJCXBYBCV-AWEZNQCLSA-N 2 2 275.400 0.831 20 0 CCADLP Nc1nc(N2CC[NH+](C[C@H]3CCCO3)CC2)cc[nH+]1 ZINC001165036410 721914928 /nfs/dbraw/zinc/91/49/28/721914928.db2.gz CIYCPTJDTKVHEE-LLVKDONJSA-N 2 2 263.345 0.360 20 0 CCADLP CCOCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001230352475 805595485 /nfs/dbraw/zinc/59/54/85/805595485.db2.gz BLWXAWNKHDEVAR-ZIAGYGMSSA-N 2 2 294.399 0.937 20 0 CCADLP COC(=O)CN1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001208606376 790426033 /nfs/dbraw/zinc/42/60/33/790426033.db2.gz FJHGKTAUOJWQCS-CYBMUJFWSA-N 2 2 269.389 0.119 20 0 CCADLP COC(=O)CN1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001208606376 790426043 /nfs/dbraw/zinc/42/60/43/790426043.db2.gz FJHGKTAUOJWQCS-CYBMUJFWSA-N 2 2 269.389 0.119 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccnnc2)C1 ZINC001139986235 790547371 /nfs/dbraw/zinc/54/73/71/790547371.db2.gz DWFKQDXMQSCICZ-CYBMUJFWSA-N 2 2 277.372 0.119 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccnnc2)C1 ZINC001139986235 790547380 /nfs/dbraw/zinc/54/73/80/790547380.db2.gz DWFKQDXMQSCICZ-CYBMUJFWSA-N 2 2 277.372 0.119 20 0 CCADLP CCN(CC)c1cc(N2C[C@H]3COC[C@@H](C2)C3[NH3+])nc[nH+]1 ZINC001167188063 790686546 /nfs/dbraw/zinc/68/65/46/790686546.db2.gz PRNZRQFOCVATLP-ODOQXGPZSA-N 2 2 291.399 0.733 20 0 CCADLP CCN(CC)c1cc(N2C[C@H]3COC[C@@H](C2)C3[NH3+])[nH+]cn1 ZINC001167188063 790686551 /nfs/dbraw/zinc/68/65/51/790686551.db2.gz PRNZRQFOCVATLP-ODOQXGPZSA-N 2 2 291.399 0.733 20 0 CCADLP C[C@H]([NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1)c1cnccn1 ZINC001167346886 790936975 /nfs/dbraw/zinc/93/69/75/790936975.db2.gz TYIHEMNBFIOGJP-NSHDSACASA-N 2 2 288.355 0.599 20 0 CCADLP CN(CC[NH2+]CC[C@H]1CCOC1)C(=O)CCc1c[nH]c[nH+]1 ZINC001266720528 791183511 /nfs/dbraw/zinc/18/35/11/791183511.db2.gz NAFMIJNDBOXADZ-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP CN(CC[NH2+]CC[C@H]1CCOC1)C(=O)CCc1c[nH+]c[nH]1 ZINC001266720528 791183516 /nfs/dbraw/zinc/18/35/16/791183516.db2.gz NAFMIJNDBOXADZ-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP CC(C)c1nnc(C[NH2+]CCN(C)C(=O)CC[NH+](C)C)o1 ZINC001266827317 791271254 /nfs/dbraw/zinc/27/12/54/791271254.db2.gz RXZCDVUBMGGTSM-UHFFFAOYSA-N 2 2 297.403 0.693 20 0 CCADLP CCOCCC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001267072937 791503869 /nfs/dbraw/zinc/50/38/69/791503869.db2.gz LONWELASQHWXPY-AWEZNQCLSA-N 2 2 294.399 0.748 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC1(C[NH2+]CCCO)CC1 ZINC001167529005 791511167 /nfs/dbraw/zinc/51/11/67/791511167.db2.gz VAKUFUOZMJUWDJ-UHFFFAOYSA-N 2 2 280.372 0.211 20 0 CCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)C[C@@H]([NH3+])C(F)F ZINC000724714396 791703090 /nfs/dbraw/zinc/70/30/90/791703090.db2.gz AZLJKYMYOQYJMJ-RKDXNWHRSA-N 2 2 251.321 0.815 20 0 CCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)C[C@@H]([NH3+])C(F)F ZINC000724714396 791703096 /nfs/dbraw/zinc/70/30/96/791703096.db2.gz AZLJKYMYOQYJMJ-RKDXNWHRSA-N 2 2 251.321 0.815 20 0 CCADLP CC(C)[N@@H+]1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001277799053 806103289 /nfs/dbraw/zinc/10/32/89/806103289.db2.gz IVZDMBAVTXEGMB-KBPBESRZSA-N 2 2 264.373 0.677 20 0 CCADLP CC(C)[N@H+]1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001277799053 806103291 /nfs/dbraw/zinc/10/32/91/806103291.db2.gz IVZDMBAVTXEGMB-KBPBESRZSA-N 2 2 264.373 0.677 20 0 CCADLP CN(C[C@H]1CC[N@@H+]1CCCO)C(=O)CCc1[nH]cc[nH+]1 ZINC001233976431 806161548 /nfs/dbraw/zinc/16/15/48/806161548.db2.gz FHMNSWOUERLQGS-GFCCVEGCSA-N 2 2 280.372 0.257 20 0 CCADLP CN(C[C@H]1CC[N@H+]1CCCO)C(=O)CCc1[nH]cc[nH+]1 ZINC001233976431 806161550 /nfs/dbraw/zinc/16/15/50/806161550.db2.gz FHMNSWOUERLQGS-GFCCVEGCSA-N 2 2 280.372 0.257 20 0 CCADLP COC(=O)C[NH+]1CCC2(C[NH+](CCn3ccnc3)C2)CC1 ZINC001277822734 806163219 /nfs/dbraw/zinc/16/32/19/806163219.db2.gz ZMZTUKAPFFHANF-UHFFFAOYSA-N 2 2 292.383 0.454 20 0 CCADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001234971693 806320722 /nfs/dbraw/zinc/32/07/22/806320722.db2.gz RVORFBLEDBCPCW-FVCCEPFGSA-N 3 2 289.370 0.397 20 0 CCADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001234971693 806320730 /nfs/dbraw/zinc/32/07/30/806320730.db2.gz RVORFBLEDBCPCW-FVCCEPFGSA-N 3 2 289.370 0.397 20 0 CCADLP Oc1ccc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c(F)c1F ZINC001234989751 806336216 /nfs/dbraw/zinc/33/62/16/806336216.db2.gz SSRPFXMUGXASGK-AWEZNQCLSA-N 2 2 283.322 0.808 20 0 CCADLP CC(=O)Oc1cccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235054612 806358106 /nfs/dbraw/zinc/35/81/06/806358106.db2.gz QBVFCCFXPOQROC-MRXNPFEDSA-N 2 2 289.379 0.749 20 0 CCADLP CC(=O)Oc1cccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235054612 806358116 /nfs/dbraw/zinc/35/81/16/806358116.db2.gz QBVFCCFXPOQROC-MRXNPFEDSA-N 2 2 289.379 0.749 20 0 CCADLP c1cn2cc(CN3CCN[C@@]4(CC[NH2+]C4)C3)ccc2[nH+]1 ZINC001235061247 806363552 /nfs/dbraw/zinc/36/35/52/806363552.db2.gz IYLCUPROPSVSFH-OAHLLOKOSA-N 2 2 271.368 0.472 20 0 CCADLP c1cn2c(cccc2CN2CCN[C@]3(CC[NH2+]C3)C2)[nH+]1 ZINC001235063558 806365581 /nfs/dbraw/zinc/36/55/81/806365581.db2.gz STWQUHUOOCIRBF-HNNXBMFYSA-N 2 2 271.368 0.472 20 0 CCADLP CN(C[C@@H]1CC[N@@H+]1CCF)C(=O)C[NH+](C)C1CCC1 ZINC001235411951 806420105 /nfs/dbraw/zinc/42/01/05/806420105.db2.gz ZVHCFPZFKCUWSI-ZDUSSCGKSA-N 2 2 271.380 0.973 20 0 CCADLP CN(C[C@@H]1CC[N@H+]1CCF)C(=O)C[NH+](C)C1CCC1 ZINC001235411951 806420110 /nfs/dbraw/zinc/42/01/10/806420110.db2.gz ZVHCFPZFKCUWSI-ZDUSSCGKSA-N 2 2 271.380 0.973 20 0 CCADLP CN(C[C@@H]1CC[NH+]1CCF)C(=O)C[N@H+](C)C1CCC1 ZINC001235411951 806420115 /nfs/dbraw/zinc/42/01/15/806420115.db2.gz ZVHCFPZFKCUWSI-ZDUSSCGKSA-N 2 2 271.380 0.973 20 0 CCADLP CN(C[C@@H]1CC[NH+]1CCF)C(=O)C[N@@H+](C)C1CCC1 ZINC001235411951 806420120 /nfs/dbraw/zinc/42/01/20/806420120.db2.gz ZVHCFPZFKCUWSI-ZDUSSCGKSA-N 2 2 271.380 0.973 20 0 CCADLP COCCCC[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001277946783 806426610 /nfs/dbraw/zinc/42/66/10/806426610.db2.gz BBRSKUHEJSXEAC-CQSZACIVSA-N 2 2 294.399 0.959 20 0 CCADLP [NH3+]CC[NH+]1CCC2(CC1)CN(c1ncc(F)cn1)CCO2 ZINC001235490552 806432835 /nfs/dbraw/zinc/43/28/35/806432835.db2.gz WXVUOKXSSSWJIK-UHFFFAOYSA-N 2 2 295.362 0.246 20 0 CCADLP CC[NH+]1CCC(C[N@@H+]2CCn3cnc(CO)c3C2)CC1 ZINC001235501116 806436525 /nfs/dbraw/zinc/43/65/25/806436525.db2.gz CQRDCGQLMAKFEW-UHFFFAOYSA-N 2 2 278.400 0.923 20 0 CCADLP CC[NH+]1CCC(C[N@H+]2CCn3cnc(CO)c3C2)CC1 ZINC001235501116 806436528 /nfs/dbraw/zinc/43/65/28/806436528.db2.gz CQRDCGQLMAKFEW-UHFFFAOYSA-N 2 2 278.400 0.923 20 0 CCADLP [NH3+]CCN1Cc2c[nH+]cn2C[C@H](COc2cccnc2)C1 ZINC001235539150 806449719 /nfs/dbraw/zinc/44/97/19/806449719.db2.gz TZEWIBXQSGXFTO-CYBMUJFWSA-N 2 2 287.367 0.748 20 0 CCADLP C[C@@H]([NH3+])C[NH+]1CCC2(CC1)NC(=O)C[C@H]2c1cnn(C)c1 ZINC001235582340 806463519 /nfs/dbraw/zinc/46/35/19/806463519.db2.gz HPYFCWJCSSVWNZ-YPMHNXCESA-N 2 2 291.399 0.205 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)CO1 ZINC001246084600 807146562 /nfs/dbraw/zinc/14/65/62/807146562.db2.gz KVVFGESBEUMFPV-CYDGBPFRSA-N 2 2 270.373 0.827 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+]1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)N2CCCC2)C1 ZINC001235628516 806477249 /nfs/dbraw/zinc/47/72/49/806477249.db2.gz DOTVBMMOFRRIAO-TUVASFSCSA-N 2 2 295.427 0.683 20 0 CCADLP C[C@@H]([NH3+])C[N@H+]1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)N2CCCC2)C1 ZINC001235628516 806477253 /nfs/dbraw/zinc/47/72/53/806477253.db2.gz DOTVBMMOFRRIAO-TUVASFSCSA-N 2 2 295.427 0.683 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1CC[C@]2(C[C@H]2C(=O)NCc2cccnc2)C1 ZINC001235613572 806472574 /nfs/dbraw/zinc/47/25/74/806472574.db2.gz XPIMHOSEVUDAPP-NOLJZWGESA-N 2 2 288.395 0.757 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1CC[C@]2(C[C@H]2C(=O)NCc2cccnc2)C1 ZINC001235613572 806472581 /nfs/dbraw/zinc/47/25/81/806472581.db2.gz XPIMHOSEVUDAPP-NOLJZWGESA-N 2 2 288.395 0.757 20 0 CCADLP [NH3+]CC[N@@H+]1CCC[C@]2(CCN(Cc3ccncc3)C2=O)C1 ZINC001235617508 806474490 /nfs/dbraw/zinc/47/44/90/806474490.db2.gz GAFYPFVNXXZAFH-INIZCTEOSA-N 2 2 288.395 0.855 20 0 CCADLP [NH3+]CC[N@H+]1CCC[C@]2(CCN(Cc3ccncc3)C2=O)C1 ZINC001235617508 806474494 /nfs/dbraw/zinc/47/44/94/806474494.db2.gz GAFYPFVNXXZAFH-INIZCTEOSA-N 2 2 288.395 0.855 20 0 CCADLP C[C@H](O)C[N@@H+]1CCC[C@]2(CCC[NH+](CC(=O)N(C)C)C2)C1 ZINC001277959047 806480890 /nfs/dbraw/zinc/48/08/90/806480890.db2.gz PWBLLCZSKYWWGX-HOCLYGCPSA-N 2 2 297.443 0.633 20 0 CCADLP C[C@H](O)C[N@H+]1CCC[C@]2(CCC[NH+](CC(=O)N(C)C)C2)C1 ZINC001277959047 806480895 /nfs/dbraw/zinc/48/08/95/806480895.db2.gz PWBLLCZSKYWWGX-HOCLYGCPSA-N 2 2 297.443 0.633 20 0 CCADLP C[C@H](O)C[NH+]1CCC[C@]2(CCC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001277959047 806480899 /nfs/dbraw/zinc/48/08/99/806480899.db2.gz PWBLLCZSKYWWGX-HOCLYGCPSA-N 2 2 297.443 0.633 20 0 CCADLP C[C@H](O)C[NH+]1CCC[C@]2(CCC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001277959047 806480905 /nfs/dbraw/zinc/48/09/05/806480905.db2.gz PWBLLCZSKYWWGX-HOCLYGCPSA-N 2 2 297.443 0.633 20 0 CCADLP [NH3+]CC[N@@H+]1CCC[C@]2(CCN(c3cncnc3)C2=O)C1 ZINC001235661729 806487186 /nfs/dbraw/zinc/48/71/86/806487186.db2.gz WWGDMOSJVCLYPX-AWEZNQCLSA-N 2 2 275.356 0.254 20 0 CCADLP [NH3+]CC[N@H+]1CCC[C@]2(CCN(c3cncnc3)C2=O)C1 ZINC001235661729 806487191 /nfs/dbraw/zinc/48/71/91/806487191.db2.gz WWGDMOSJVCLYPX-AWEZNQCLSA-N 2 2 275.356 0.254 20 0 CCADLP C[C@@H]([NH3+])C[NH+]1CCC(NC(=O)C2CCOCC2)CC1 ZINC001235704810 806497096 /nfs/dbraw/zinc/49/70/96/806497096.db2.gz BBCBFMCWPYELRB-LLVKDONJSA-N 2 2 269.389 0.341 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([NH3+])C[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001235769933 806502440 /nfs/dbraw/zinc/50/24/40/806502440.db2.gz IHEMOTOAZBAIGA-JHJVBQTASA-N 3 2 269.389 0.198 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([NH3+])C[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC001235769933 806502443 /nfs/dbraw/zinc/50/24/43/806502443.db2.gz IHEMOTOAZBAIGA-JHJVBQTASA-N 3 2 269.389 0.198 20 0 CCADLP Cc1cnc(F)c(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1 ZINC001236000079 806526590 /nfs/dbraw/zinc/52/65/90/806526590.db2.gz QZUXXMLGYYQYSW-FUNVUKJBSA-N 2 2 265.332 0.935 20 0 CCADLP Cc1cnc(F)c(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1 ZINC001236000079 806526594 /nfs/dbraw/zinc/52/65/94/806526594.db2.gz QZUXXMLGYYQYSW-FUNVUKJBSA-N 2 2 265.332 0.935 20 0 CCADLP COc1cncc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1C ZINC001236000515 806526439 /nfs/dbraw/zinc/52/64/39/806526439.db2.gz VXBAXZPWIXGNOZ-NNQSOWQGSA-N 2 2 277.368 0.804 20 0 CCADLP COc1cncc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1C ZINC001236000515 806526444 /nfs/dbraw/zinc/52/64/44/806526444.db2.gz VXBAXZPWIXGNOZ-NNQSOWQGSA-N 2 2 277.368 0.804 20 0 CCADLP COc1ccoc1C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001236002192 806528633 /nfs/dbraw/zinc/52/86/33/806528633.db2.gz RSBBXVJSDOLPOM-HWYHXSKPSA-N 2 2 252.314 0.694 20 0 CCADLP COc1ccoc1C[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001236002192 806528638 /nfs/dbraw/zinc/52/86/38/806528638.db2.gz RSBBXVJSDOLPOM-HWYHXSKPSA-N 2 2 252.314 0.694 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1[nH+]c2ccccn2c1C ZINC001236195943 806547356 /nfs/dbraw/zinc/54/73/56/806547356.db2.gz JBEFROJWAMKZGZ-AAEUAGOBSA-N 2 2 288.351 0.717 20 0 CCADLP CCOC(=O)CC[NH+](CCC(=O)OCC)C[C@H](C)[NH3+] ZINC001236306664 806564818 /nfs/dbraw/zinc/56/48/18/806564818.db2.gz BDILYVULJWIPSN-NSHDSACASA-N 2 2 274.361 0.542 20 0 CCADLP COC(=O)[C@@H]1CN(Cc2c[nH+]c3c(C)cccn23)C[C@H]1[NH3+] ZINC001236346235 806576409 /nfs/dbraw/zinc/57/64/09/806576409.db2.gz SHAJFDGPKHCNSO-CHWSQXEVSA-N 2 2 288.351 0.575 20 0 CCADLP [NH3+]CC[N@H+](CC[C@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC001236522389 806591539 /nfs/dbraw/zinc/59/15/39/806591539.db2.gz NUVSYOBLQLXMHH-HNNXBMFYSA-N 3 2 263.385 0.826 20 0 CCADLP [NH3+]CC[N@@H+](CC[C@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC001236522389 806591547 /nfs/dbraw/zinc/59/15/47/806591547.db2.gz NUVSYOBLQLXMHH-HNNXBMFYSA-N 3 2 263.385 0.826 20 0 CCADLP Cc1ccc(NCCNC(=O)NCC(F)(F)C[NH3+])[nH+]c1 ZINC001120543794 798857439 /nfs/dbraw/zinc/85/74/39/798857439.db2.gz ICTUXCCOYNNNJE-UHFFFAOYSA-N 2 2 287.314 0.695 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC001120555448 798864365 /nfs/dbraw/zinc/86/43/65/798864365.db2.gz ZIAZNYHVUGIOHJ-VXGBXAGGSA-N 2 2 265.361 0.523 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)NCC1([NH3+])CC1 ZINC001120665484 798908181 /nfs/dbraw/zinc/90/81/81/798908181.db2.gz RXORJLSZUVLFFE-UHFFFAOYSA-N 2 2 251.334 0.406 20 0 CCADLP [NH3+][C@H](CC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)C(F)F ZINC001121998277 799117897 /nfs/dbraw/zinc/11/78/97/799117897.db2.gz VEGKXQUMXSYSBP-VHSXEESVSA-N 2 2 261.316 0.569 20 0 CCADLP [NH3+][C@H](CC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)C(F)F ZINC001121998277 799117894 /nfs/dbraw/zinc/11/78/94/799117894.db2.gz VEGKXQUMXSYSBP-VHSXEESVSA-N 2 2 261.316 0.569 20 0 CCADLP C[NH2+]C1(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)CCC1 ZINC001122139521 799152318 /nfs/dbraw/zinc/15/23/18/799152318.db2.gz ZIMIRHBUOVZSIF-NWDGAFQWSA-N 2 2 269.389 0.354 20 0 CCADLP C[NH2+]C1(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)CCC1 ZINC001122139521 799152321 /nfs/dbraw/zinc/15/23/21/799152321.db2.gz ZIMIRHBUOVZSIF-NWDGAFQWSA-N 2 2 269.389 0.354 20 0 CCADLP C[C@]1(CO)CC[N@H+](Cc2cccc3c[nH+]cn32)C[C@H]1O ZINC001238108438 806752381 /nfs/dbraw/zinc/75/23/81/806752381.db2.gz WOHYEPZSGNBYNS-HUUCEWRRSA-N 2 2 275.352 0.900 20 0 CCADLP C[C@]1(CO)CC[N@@H+](Cc2cccc3c[nH+]cn32)C[C@H]1O ZINC001238108438 806752384 /nfs/dbraw/zinc/75/23/84/806752384.db2.gz WOHYEPZSGNBYNS-HUUCEWRRSA-N 2 2 275.352 0.900 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001124877962 799642010 /nfs/dbraw/zinc/64/20/10/799642010.db2.gz JCAWINWZDRFMMX-MWLCHTKSSA-N 2 2 281.360 0.239 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001124877962 799642014 /nfs/dbraw/zinc/64/20/14/799642014.db2.gz JCAWINWZDRFMMX-MWLCHTKSSA-N 2 2 281.360 0.239 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)s1 ZINC001124878809 799642562 /nfs/dbraw/zinc/64/25/62/799642562.db2.gz OTRONAQGACTJLG-MWLCHTKSSA-N 2 2 297.428 0.708 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)s1 ZINC001124878809 799642565 /nfs/dbraw/zinc/64/25/65/799642565.db2.gz OTRONAQGACTJLG-MWLCHTKSSA-N 2 2 297.428 0.708 20 0 CCADLP CC[N@@H+]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001137568834 799673734 /nfs/dbraw/zinc/67/37/34/799673734.db2.gz MBORGGXRQWMTNL-JTQLQIEISA-N 2 2 250.346 0.813 20 0 CCADLP CC[N@H+]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001137568834 799673738 /nfs/dbraw/zinc/67/37/38/799673738.db2.gz MBORGGXRQWMTNL-JTQLQIEISA-N 2 2 250.346 0.813 20 0 CCADLP CCC[NH+]1C[C@H]2CN(C(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)C[C@@H]2C1 ZINC001161176916 799682058 /nfs/dbraw/zinc/68/20/58/799682058.db2.gz XMAWPIYJWXFTQC-JAAXMTQOSA-N 3 2 292.427 0.008 20 0 CCADLP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@@H](O)CO ZINC001139054476 799776654 /nfs/dbraw/zinc/77/66/54/799776654.db2.gz CHOFWIRWUYTMEG-MRXNPFEDSA-N 2 2 294.395 0.304 20 0 CCADLP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@@H](O)CO ZINC001139054476 799776656 /nfs/dbraw/zinc/77/66/56/799776656.db2.gz CHOFWIRWUYTMEG-MRXNPFEDSA-N 2 2 294.395 0.304 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2CCC(O)CC2)cc1 ZINC001161185333 799799803 /nfs/dbraw/zinc/79/98/03/799799803.db2.gz RCDLMTBIEPGEKT-CYBMUJFWSA-N 2 2 263.341 0.242 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[C@@H]([NH2+]CCO)C12CCC2 ZINC001203015026 799889855 /nfs/dbraw/zinc/88/98/55/799889855.db2.gz UBLRUYFSVZBSCR-CHWSQXEVSA-N 2 2 292.383 0.352 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[C@@H]([NH2+]CCO)C12CCC2 ZINC001203015026 799889860 /nfs/dbraw/zinc/88/98/60/799889860.db2.gz UBLRUYFSVZBSCR-CHWSQXEVSA-N 2 2 292.383 0.352 20 0 CCADLP CC(C)OCC[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001203060373 799934771 /nfs/dbraw/zinc/93/47/71/799934771.db2.gz VWYHKQNFUDTFQG-UHFFFAOYSA-N 2 2 294.399 0.958 20 0 CCADLP CCCc1ccc(S(=O)(=O)NCC[NH2+]CC[NH3+])cc1 ZINC001238838615 806813495 /nfs/dbraw/zinc/81/34/95/806813495.db2.gz KROGBGKVPWJGOR-UHFFFAOYSA-N 2 2 285.413 0.466 20 0 CCADLP COCCC[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149564946 800276908 /nfs/dbraw/zinc/27/69/08/800276908.db2.gz QZJHTXRDYPTWJT-UHFFFAOYSA-N 2 2 268.361 0.095 20 0 CCADLP CCC[N@@H+]1CCCO[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001149633063 800285918 /nfs/dbraw/zinc/28/59/18/800285918.db2.gz ZJOIGQXPZLZIMF-ZDUSSCGKSA-N 2 2 294.399 0.959 20 0 CCADLP CCC[N@H+]1CCCO[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001149633063 800285924 /nfs/dbraw/zinc/28/59/24/800285924.db2.gz ZJOIGQXPZLZIMF-ZDUSSCGKSA-N 2 2 294.399 0.959 20 0 CCADLP CCCC[N@@H+]1CCCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150379628 800333481 /nfs/dbraw/zinc/33/34/81/800333481.db2.gz IJFWMCYLPMKVRC-CQSZACIVSA-N 2 2 294.399 0.959 20 0 CCADLP CCCC[N@H+]1CCCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150379628 800333489 /nfs/dbraw/zinc/33/34/89/800333489.db2.gz IJFWMCYLPMKVRC-CQSZACIVSA-N 2 2 294.399 0.959 20 0 CCADLP CC(C)[N@@H+]1CCCO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150496602 800343019 /nfs/dbraw/zinc/34/30/19/800343019.db2.gz FJBQINXAIKKXMV-LBPRGKRZSA-N 2 2 280.372 0.568 20 0 CCADLP CC(C)[N@H+]1CCCO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001150496602 800343023 /nfs/dbraw/zinc/34/30/23/800343023.db2.gz FJBQINXAIKKXMV-LBPRGKRZSA-N 2 2 280.372 0.568 20 0 CCADLP CCc1nnc([C@H](C)[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001151066967 800392539 /nfs/dbraw/zinc/39/25/39/800392539.db2.gz ZHTXNYJGNXVKLS-QWRGUYRKSA-N 2 2 295.387 0.351 20 0 CCADLP CCc1nnc([C@H](C)[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001151066967 800392547 /nfs/dbraw/zinc/39/25/47/800392547.db2.gz ZHTXNYJGNXVKLS-QWRGUYRKSA-N 2 2 295.387 0.351 20 0 CCADLP CCc1nnc([C@@H](C)[NH2+]CCNC(=O)C[NH+]2CCCC2)o1 ZINC001151101106 800398800 /nfs/dbraw/zinc/39/88/00/800398800.db2.gz LXTGZHMRADEQBS-LLVKDONJSA-N 2 2 295.387 0.495 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)C[N@H+](C)C(C)C)o1 ZINC001152440057 800521846 /nfs/dbraw/zinc/52/18/46/800521846.db2.gz WKOVVVGERKCDQI-UHFFFAOYSA-N 2 2 282.388 0.783 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C)o1 ZINC001152440057 800521848 /nfs/dbraw/zinc/52/18/48/800521848.db2.gz WKOVVVGERKCDQI-UHFFFAOYSA-N 2 2 282.388 0.783 20 0 CCADLP CCC[NH2+]CCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001152618406 800542755 /nfs/dbraw/zinc/54/27/55/800542755.db2.gz MVKMERYZIVDSOJ-ZDUSSCGKSA-N 2 2 264.373 0.800 20 0 CCADLP O=S(=O)([C@@H]1CC[NH2+]C1)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC001239094290 806846731 /nfs/dbraw/zinc/84/67/31/806846731.db2.gz TYTNXWXQMWSHLA-KGLIPLIRSA-N 2 2 295.408 0.325 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NCC[NH2+]C[C@@H]1CCCCO1 ZINC001153351522 800624605 /nfs/dbraw/zinc/62/46/05/800624605.db2.gz VYNDRQOSAQREFO-AWEZNQCLSA-N 2 2 294.399 0.938 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]C[C@@H](O)c1ccccc1 ZINC001153496235 800634970 /nfs/dbraw/zinc/63/49/70/800634970.db2.gz WSKLRKDDRXGLJL-CQSZACIVSA-N 2 2 288.351 0.323 20 0 CCADLP c1[nH+]cn(-c2cc3c(nn2)CC[NH2+]C3)c1C1CC[NH2+]CC1 ZINC001155063903 800901778 /nfs/dbraw/zinc/90/17/78/800901778.db2.gz JHTXZWJPJZXNDU-UHFFFAOYSA-N 3 2 284.367 0.775 20 0 CCADLP [NH3+]CC1C[NH+]([C@@H]2CCCN(c3ccc(Cl)c[n+]3[O-])C2)C1 ZINC001155376389 800961349 /nfs/dbraw/zinc/96/13/49/800961349.db2.gz MFCUCYJWTXSJOO-CYBMUJFWSA-N 2 2 296.802 0.833 20 0 CCADLP Cc1cc[nH+]c(NCC[C@@H]2CCOC23C[NH2+]C3)c1C(N)=O ZINC001155477724 800985810 /nfs/dbraw/zinc/98/58/10/800985810.db2.gz OLJFGVSQWNPFPB-LLVKDONJSA-N 2 2 290.367 0.669 20 0 CCADLP CCN(CC)c1cc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)[nH+]cn1 ZINC001155483204 800987370 /nfs/dbraw/zinc/98/73/70/800987370.db2.gz JWEFPCFFGRPLBF-JHJVBQTASA-N 2 2 291.399 0.969 20 0 CCADLP CCN(CC)c1cc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)nc[nH+]1 ZINC001155483204 800987374 /nfs/dbraw/zinc/98/73/74/800987374.db2.gz JWEFPCFFGRPLBF-JHJVBQTASA-N 2 2 291.399 0.969 20 0 CCADLP CC[N@H+](CCO)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155520747 800998317 /nfs/dbraw/zinc/99/83/17/800998317.db2.gz BHEGMZAEMPLCTO-QWHCGFSZSA-N 2 2 282.388 0.653 20 0 CCADLP CC[N@@H+](CCO)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001155520747 800998320 /nfs/dbraw/zinc/99/83/20/800998320.db2.gz BHEGMZAEMPLCTO-QWHCGFSZSA-N 2 2 282.388 0.653 20 0 CCADLP Cc1nc([C@@H](C)[NH2+]CCCNC(=O)[C@H]2CCC[N@@H+]2C)no1 ZINC001155811019 801054830 /nfs/dbraw/zinc/05/48/30/801054830.db2.gz GHIYSOZVKZENKM-ZYHUDNBSSA-N 2 2 295.387 0.629 20 0 CCADLP Cc1nc([C@@H](C)[NH2+]CCCNC(=O)[C@H]2CCC[N@H+]2C)no1 ZINC001155811019 801054834 /nfs/dbraw/zinc/05/48/34/801054834.db2.gz GHIYSOZVKZENKM-ZYHUDNBSSA-N 2 2 295.387 0.629 20 0 CCADLP Cc1nc([C@H](C)[NH2+]CCCNC(=O)[C@@H]2CCC[N@@H+]2C)no1 ZINC001155811017 801056071 /nfs/dbraw/zinc/05/60/71/801056071.db2.gz GHIYSOZVKZENKM-JQWIXIFHSA-N 2 2 295.387 0.629 20 0 CCADLP Cc1nc([C@H](C)[NH2+]CCCNC(=O)[C@@H]2CCC[N@H+]2C)no1 ZINC001155811017 801056075 /nfs/dbraw/zinc/05/60/75/801056075.db2.gz GHIYSOZVKZENKM-JQWIXIFHSA-N 2 2 295.387 0.629 20 0 CCADLP CC[N@H+](C[C@H](C)O)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156012010 801093971 /nfs/dbraw/zinc/09/39/71/801093971.db2.gz XXCGGJQNZJPRQT-MNOVXSKESA-N 2 2 268.361 0.160 20 0 CCADLP CC[N@@H+](C[C@H](C)O)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156012010 801093973 /nfs/dbraw/zinc/09/39/73/801093973.db2.gz XXCGGJQNZJPRQT-MNOVXSKESA-N 2 2 268.361 0.160 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Nc2cc(N)c(C)c[nH+]2)C[NH2+]1 ZINC001156248759 801139484 /nfs/dbraw/zinc/13/94/84/801139484.db2.gz ITXPIBUQIBQXGP-WPRPVWTQSA-N 2 2 250.302 0.288 20 0 CCADLP CC[N@H+](C[C@@H](C)O)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156384178 801159347 /nfs/dbraw/zinc/15/93/47/801159347.db2.gz ZBOOTPLZQVKCSD-VXGBXAGGSA-N 2 2 282.388 0.170 20 0 CCADLP CC[N@@H+](C[C@@H](C)O)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156384178 801159352 /nfs/dbraw/zinc/15/93/52/801159352.db2.gz ZBOOTPLZQVKCSD-VXGBXAGGSA-N 2 2 282.388 0.170 20 0 CCADLP Cn1cncc1C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001204384405 801306194 /nfs/dbraw/zinc/30/61/94/801306194.db2.gz WXRXVEKAFUGJKU-UHFFFAOYSA-N 2 2 277.416 0.632 20 0 CCADLP CCC(CO)(CO)Nc1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001157200611 801324164 /nfs/dbraw/zinc/32/41/64/801324164.db2.gz UGVIDBJJISDCEV-UHFFFAOYSA-N 2 2 294.399 0.379 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCCC[NH2+]Cc1nncs1 ZINC001157264044 801335862 /nfs/dbraw/zinc/33/58/62/801335862.db2.gz APGOOJJPYOXKIP-UHFFFAOYSA-N 2 2 294.384 0.490 20 0 CCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC001157567426 801422612 /nfs/dbraw/zinc/42/26/12/801422612.db2.gz LVPBWSPQUQTGRC-VJTDZRGJSA-N 2 2 291.395 0.297 20 0 CCADLP [NH3+]C1(C(=O)N2CCC(=O)[C@@H]3CCCC[C@H]32)CC[NH2+]CC1 ZINC001157569343 801423439 /nfs/dbraw/zinc/42/34/39/801423439.db2.gz XMAPEMXLBCSLTG-VXGBXAGGSA-N 2 2 279.384 0.428 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC(=O)[C@@H]3CCCC[C@H]32)C1 ZINC001157568368 801424575 /nfs/dbraw/zinc/42/45/75/801424575.db2.gz SAGPXTUKGCNQFC-WISYIIOYSA-N 2 2 265.357 0.036 20 0 CCADLP C[C@@H]1CCCCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001157781337 801482879 /nfs/dbraw/zinc/48/28/79/801482879.db2.gz OEQUCSHEVPENSM-BYNQJWBRSA-N 2 2 251.374 0.857 20 0 CCADLP C[C@H]1C[C@@H](CF)N(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001157877687 801509093 /nfs/dbraw/zinc/50/90/93/801509093.db2.gz NUJFQOPIFAVBQM-ZPFDUUQYSA-N 2 2 255.337 0.144 20 0 CCADLP C[C@]1(F)CCCCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001157915785 801520120 /nfs/dbraw/zinc/52/01/20/801520120.db2.gz WSMAOOUAFDXKCU-RFHZTLPTSA-N 2 2 269.364 0.949 20 0 CCADLP COc1nc(C)nc(NC(=[NH2+])N2CC[NH+](C)CC2)c1C ZINC001157916212 801520967 /nfs/dbraw/zinc/52/09/67/801520967.db2.gz OJRWSTBVBZKZKV-UHFFFAOYSA-N 2 2 278.360 0.696 20 0 CCADLP COc1ncc(Cl)c(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001157916316 801521096 /nfs/dbraw/zinc/52/10/96/801521096.db2.gz SQOHCIBGPOWPDY-UHFFFAOYSA-N 2 2 284.751 0.733 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[C@](C)(F)[C@H](F)C1 ZINC001157922525 801522534 /nfs/dbraw/zinc/52/25/34/801522534.db2.gz QCQXLJJWFJEPHD-LOWVWBTDSA-N 2 2 286.326 0.589 20 0 CCADLP O=C(N1CCC(OC2CCC2)CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157960009 801540749 /nfs/dbraw/zinc/54/07/49/801540749.db2.gz GUTQJJKVTBAJNR-LRDDRELGSA-N 2 2 293.411 0.498 20 0 CCADLP Cc1ncn(-c2cc[nH+]c(N)n2)c1CSCC[NH3+] ZINC001157962825 801542182 /nfs/dbraw/zinc/54/21/82/801542182.db2.gz ARQFKLFMGFCITE-UHFFFAOYSA-N 2 2 264.358 0.745 20 0 CCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])c1ccsc1 ZINC001158000765 801551705 /nfs/dbraw/zinc/55/17/05/801551705.db2.gz ZOVZMKLYHBCBIR-MNOVXSKESA-N 2 2 297.380 0.111 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nnc2ccccc2n1 ZINC001158209376 801595612 /nfs/dbraw/zinc/59/56/12/801595612.db2.gz SWFMQHBVCFNGIC-SECBINFHSA-N 2 2 270.296 0.073 20 0 CCADLP CCc1cc(CC)nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158209162 801596148 /nfs/dbraw/zinc/59/61/48/801596148.db2.gz IWDYKVKYDVSMTJ-SNVBAGLBSA-N 2 2 275.356 0.649 20 0 CCADLP COc1nc(C)cc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158260438 801608315 /nfs/dbraw/zinc/60/83/15/801608315.db2.gz DZTWEBHETFHHEL-LBPRGKRZSA-N 2 2 291.399 0.795 20 0 CCADLP COc1nc(C)cc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158260438 801608318 /nfs/dbraw/zinc/60/83/18/801608318.db2.gz DZTWEBHETFHHEL-LBPRGKRZSA-N 2 2 291.399 0.795 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)NCCC[NH2+]CCF ZINC001158486622 801657370 /nfs/dbraw/zinc/65/73/70/801657370.db2.gz PTBSMAFDJKBPOO-UHFFFAOYSA-N 2 2 282.363 0.827 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc([C@H](N)C[NH3+])cc1 ZINC001158630119 801673343 /nfs/dbraw/zinc/67/33/43/801673343.db2.gz LZXYYXJYQLOBRE-YWPYICTPSA-N 2 2 290.411 0.810 20 0 CCADLP C[NH+]1CC2(CN(c3nc(N4CCCC4)cc[nH+]3)C2)C1 ZINC001158860214 801715762 /nfs/dbraw/zinc/71/57/62/801715762.db2.gz ZXTQTQGVVWQLJH-UHFFFAOYSA-N 2 2 259.357 0.829 20 0 CCADLP C[C@H](O)C[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001158955659 801727847 /nfs/dbraw/zinc/72/78/47/801727847.db2.gz QCDYQBKEBANENS-UONOGXRCSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@H](O)C[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001158955659 801727851 /nfs/dbraw/zinc/72/78/51/801727851.db2.gz QCDYQBKEBANENS-UONOGXRCSA-N 2 2 294.399 0.577 20 0 CCADLP c1ncn(Cc2ccc(N3CCC4(C[NH2+]C4)CC3)[nH+]c2)n1 ZINC001159049447 801752118 /nfs/dbraw/zinc/75/21/18/801752118.db2.gz GTYIRIXKYRMJKQ-UHFFFAOYSA-N 2 2 284.367 0.911 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@]2(C)CCC[NH2+]C2)CN1 ZINC001246186809 807179984 /nfs/dbraw/zinc/17/99/84/807179984.db2.gz DOHULPTVLNIHGD-OBJOEFQTSA-N 2 2 269.389 0.402 20 0 CCADLP CSc1nc(N[C@@H]2C[NH2+]C[C@H]2CO)cc(C)[nH+]1 ZINC001159673400 801846620 /nfs/dbraw/zinc/84/66/20/801846620.db2.gz WZSILRZMYDRRJI-DTWKUNHWSA-N 2 2 254.359 0.499 20 0 CCADLP CC[C@@]([NH3+])(CO)Nc1cc[nH+]c(N2CCCCC2)n1 ZINC001159743851 801859325 /nfs/dbraw/zinc/85/93/25/801859325.db2.gz MGZMNABJGRQZHJ-ZDUSSCGKSA-N 2 2 265.361 0.936 20 0 CCADLP C[C@@H](O)CCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160331871 801930922 /nfs/dbraw/zinc/93/09/22/801930922.db2.gz BQRKHYOAGNXQQC-JHJVBQTASA-N 2 2 294.399 0.770 20 0 CCADLP C[C@@H](O)CCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160331871 801930929 /nfs/dbraw/zinc/93/09/29/801930929.db2.gz BQRKHYOAGNXQQC-JHJVBQTASA-N 2 2 294.399 0.770 20 0 CCADLP C[NH2+]Cc1ccc(NC(=O)C2([NH3+])CC[NH2+]CC2)cc1 ZINC001160443475 801941812 /nfs/dbraw/zinc/94/18/12/801941812.db2.gz KWMOOKHYXMQHCM-UHFFFAOYSA-N 3 2 262.357 0.425 20 0 CCADLP COCCN(C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C(C)C ZINC001160463520 801945098 /nfs/dbraw/zinc/94/50/98/801945098.db2.gz KQDWQZKEABUAPT-NSHDSACASA-N 2 2 254.334 0.163 20 0 CCADLP O=C([C@@H]1CC[NH2+]1)N1CC[NH+](CCc2ccccn2)CC1 ZINC001160482477 801949256 /nfs/dbraw/zinc/94/92/56/801949256.db2.gz IEZDNNDTAYHOBT-AWEZNQCLSA-N 2 2 274.368 0.130 20 0 CCADLP O=C(N1CC(Oc2ccccc2)C1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160500962 801952523 /nfs/dbraw/zinc/95/25/23/801952523.db2.gz YLFVIGZLCMNDHL-WBMJQRKESA-N 2 2 287.363 0.228 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC(C(=O)C(F)(F)F)CC2)C1 ZINC001160548583 801967859 /nfs/dbraw/zinc/96/78/59/801967859.db2.gz JMYCQADUSPFJKP-BDAKNGLRSA-N 2 2 293.289 0.046 20 0 CCADLP CN(CCc1ccc(F)cc1)C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001160596242 801978076 /nfs/dbraw/zinc/97/80/76/801978076.db2.gz DUBKRQIVGSGENX-OLZOCXBDSA-N 2 2 265.332 0.516 20 0 CCADLP Cc1cc[nH+]c(N2CCN(C(=O)[C@@H]3COCC[NH2+]3)CC2)c1 ZINC001160601935 801980522 /nfs/dbraw/zinc/98/05/22/801980522.db2.gz HNTUUCHCYDBNQH-ZDUSSCGKSA-N 2 2 290.367 0.027 20 0 CCADLP CN(C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)C1(C)COC1 ZINC001160666983 801994610 /nfs/dbraw/zinc/99/46/10/801994610.db2.gz BAVNEGWFARJTRM-LBPRGKRZSA-N 2 2 263.341 0.506 20 0 CCADLP CN(Cc1ccon1)C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001160688002 802001791 /nfs/dbraw/zinc/00/17/91/802001791.db2.gz LMUCMVZXJAVJMK-CYBMUJFWSA-N 2 2 274.324 0.905 20 0 CCADLP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001160726527 802012508 /nfs/dbraw/zinc/01/25/08/802012508.db2.gz OZDAJBCDHLFNIP-ZDUSSCGKSA-N 3 2 293.415 0.893 20 0 CCADLP N[C@]1(C(=O)N2CCC(n3cc[nH+]c3)CC2)CCC[NH2+]C1 ZINC001160727085 802012479 /nfs/dbraw/zinc/01/24/79/802012479.db2.gz YXJRJCSWCNHQAO-CQSZACIVSA-N 2 2 277.372 0.128 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NCCC[NH2+]C[C@@H](C)OC ZINC001160839006 802026051 /nfs/dbraw/zinc/02/60/51/802026051.db2.gz PRZTYIVMBALJBD-GFCCVEGCSA-N 2 2 295.383 0.764 20 0 CCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC[C@@H]1c1ccccn1 ZINC001160936300 802050008 /nfs/dbraw/zinc/05/00/08/802050008.db2.gz USRXNSLHQRJJLX-SPWCGHHHSA-N 2 2 286.379 0.695 20 0 CCADLP O=C1C[NH2+]CCN1CCNc1ccc2c([nH+]1)CCC2 ZINC001161018674 802062899 /nfs/dbraw/zinc/06/28/99/802062899.db2.gz AOAPJWPFUGZUDC-UHFFFAOYSA-N 2 2 260.341 0.414 20 0 CCADLP CC(C)[N@H+](C)[C@@H]1CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001161049183 802075549 /nfs/dbraw/zinc/07/55/49/802075549.db2.gz CUZJWSQNBYSMMK-BHPKHCPMSA-N 3 2 280.416 0.149 20 0 CCADLP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001161049183 802075557 /nfs/dbraw/zinc/07/55/57/802075557.db2.gz CUZJWSQNBYSMMK-BHPKHCPMSA-N 3 2 280.416 0.149 20 0 CCADLP Cc1ccc(CN(C)C(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)cc1C ZINC001161096787 802089973 /nfs/dbraw/zinc/08/99/73/802089973.db2.gz LDNVLXPCPHJRBP-KBPBESRZSA-N 2 2 261.369 0.951 20 0 CCADLP CCN(C(=O)[C@@H]([NH3+])COC(C)(C)C)C1C[NH+](C)C1 ZINC001161138210 802099757 /nfs/dbraw/zinc/09/97/57/802099757.db2.gz PPBOYVKUBMGISS-NSHDSACASA-N 2 2 257.378 0.291 20 0 CCADLP CN(CC[N@H+](C)Cc1ccccc1)C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001161160670 802104759 /nfs/dbraw/zinc/10/47/59/802104759.db2.gz DFFZLTBWCHGECF-CABCVRRESA-N 3 2 290.411 0.266 20 0 CCADLP CN(CC[N@@H+](C)Cc1ccccc1)C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001161160670 802104765 /nfs/dbraw/zinc/10/47/65/802104765.db2.gz DFFZLTBWCHGECF-CABCVRRESA-N 3 2 290.411 0.266 20 0 CCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCCC[NH2+]C[C@H](C)O)C2 ZINC001161323090 802125004 /nfs/dbraw/zinc/12/50/04/802125004.db2.gz BZMFCGCNYWNUDS-CMPLNLGQSA-N 2 2 294.399 0.300 20 0 CCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCCC[NH2+]C[C@H](C)O)CC2 ZINC001161323090 802125010 /nfs/dbraw/zinc/12/50/10/802125010.db2.gz BZMFCGCNYWNUDS-CMPLNLGQSA-N 2 2 294.399 0.300 20 0 CCADLP c1ccc(N2CC(Nc3cc(C4C[NH2+]C4)ncn3)C2)[nH+]c1 ZINC001161325540 802126323 /nfs/dbraw/zinc/12/63/23/802126323.db2.gz FAZLCKWTCDZVSX-UHFFFAOYSA-N 2 2 282.351 0.859 20 0 CCADLP O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001161422058 802152279 /nfs/dbraw/zinc/15/22/79/802152279.db2.gz YWMYAWZWXIIOCL-HUUCEWRRSA-N 2 2 271.364 0.617 20 0 CCADLP O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CC[N@H+]2CC[C@@H]2C1 ZINC001161422058 802152283 /nfs/dbraw/zinc/15/22/83/802152283.db2.gz YWMYAWZWXIIOCL-HUUCEWRRSA-N 2 2 271.364 0.617 20 0 CCADLP CC[NH+]1CCC(CNC(=O)Cc2[nH]cc[nH+]2)(COC)CC1 ZINC001162552785 802367997 /nfs/dbraw/zinc/36/79/97/802367997.db2.gz CEXABAGAKIKWFK-UHFFFAOYSA-N 2 2 294.399 0.817 20 0 CCADLP C1=C[C@H](Nc2cc(N3CCOCC3)nc[nH+]2)[C@H]2C[NH2+]C[C@H]12 ZINC001162789450 802416896 /nfs/dbraw/zinc/41/68/96/802416896.db2.gz FPZPFCYBPCJPMH-AVGNSLFASA-N 2 2 287.367 0.499 20 0 CCADLP C1=C[C@H](Nc2cc(N3CCOCC3)[nH+]cn2)[C@H]2C[NH2+]C[C@H]12 ZINC001162789450 802416901 /nfs/dbraw/zinc/41/69/01/802416901.db2.gz FPZPFCYBPCJPMH-AVGNSLFASA-N 2 2 287.367 0.499 20 0 CCADLP Cc1nc(-n2cncn2)cc(NC[C@@H]2CC[NH2+]C[C@@H]2F)[nH+]1 ZINC001162809032 802424095 /nfs/dbraw/zinc/42/40/95/802424095.db2.gz VEWAFJRSGKGPNQ-QWRGUYRKSA-N 2 2 291.334 0.725 20 0 CCADLP c1[nH+]c2c(cc1NCc1nnc3n1CCC[NH2+]C3)CCCN2 ZINC001163026152 802463782 /nfs/dbraw/zinc/46/37/82/802463782.db2.gz BQSUMYXCNKYWGT-UHFFFAOYSA-N 2 2 299.382 0.424 20 0 CCADLP CN(C)c1ccc(N[C@H]2COCCC23C[NH2+]C3)[nH+]c1 ZINC001163078758 802474504 /nfs/dbraw/zinc/47/45/04/802474504.db2.gz FYGUQSFILJMXPB-LBPRGKRZSA-N 2 2 262.357 0.938 20 0 CCADLP Fc1c[nH]c2nc[nH+]c(NC[C@]34C[NH2+]C[C@H]3COC4)c12 ZINC001163147859 802494416 /nfs/dbraw/zinc/49/44/16/802494416.db2.gz PUYJPTWLGMDEIY-SDBXPKJASA-N 2 2 277.303 0.745 20 0 CCADLP COc1c[nH+]c(NC[C@@]23C[NH2+][C@@H](CO2)C3)nc1NC1CC1 ZINC001163190942 802503236 /nfs/dbraw/zinc/50/32/36/802503236.db2.gz CCPHFPKDQFRRDY-QMTHXVAHSA-N 2 2 291.355 0.602 20 0 CCADLP C[N@@H+]1CCc2ncnc(NC[C@@]34C[NH2+][C@@H](CO3)C4)c2C1 ZINC001163197297 802505349 /nfs/dbraw/zinc/50/53/49/802505349.db2.gz RYQKMDRWOIRIPH-QMTHXVAHSA-N 2 2 275.356 0.007 20 0 CCADLP C[N@H+]1CCc2ncnc(NC[C@@]34C[NH2+][C@@H](CO3)C4)c2C1 ZINC001163197297 802505352 /nfs/dbraw/zinc/50/53/52/802505352.db2.gz RYQKMDRWOIRIPH-QMTHXVAHSA-N 2 2 275.356 0.007 20 0 CCADLP CC(C)OCC[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163599716 802575595 /nfs/dbraw/zinc/57/55/95/802575595.db2.gz SIFAAVNNSYWXAT-UHFFFAOYSA-N 2 2 282.388 0.794 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCC[NH2+]C[C@H]1CCOC1 ZINC001163599777 802575825 /nfs/dbraw/zinc/57/58/25/802575825.db2.gz WGXDCVWYNPXVHI-CYBMUJFWSA-N 2 2 280.372 0.406 20 0 CCADLP COCC1CN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC001163732921 802600686 /nfs/dbraw/zinc/60/06/86/802600686.db2.gz ZRQNIMGJTCOCNK-UHFFFAOYSA-N 2 2 262.357 0.574 20 0 CCADLP COC(=O)[C@@H](CO)Nc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001163803571 802616799 /nfs/dbraw/zinc/61/67/99/802616799.db2.gz HCEBOAGVBAIDIY-TZMCWYRMSA-N 2 2 293.367 0.165 20 0 CCADLP COC(=O)[C@@H](CO)Nc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001163803571 802616803 /nfs/dbraw/zinc/61/68/03/802616803.db2.gz HCEBOAGVBAIDIY-TZMCWYRMSA-N 2 2 293.367 0.165 20 0 CCADLP C[NH+](C)C1(CNc2ncnc(Cl)n2)CC[NH+](C)CC1 ZINC001164206574 802687011 /nfs/dbraw/zinc/68/70/11/802687011.db2.gz SENZRSYLRWYKCA-UHFFFAOYSA-N 2 2 284.795 0.963 20 0 CCADLP Cn1nc(NCC2([NH+](C)C)CC[NH+](C)CC2)ccc1=O ZINC001164211780 802688041 /nfs/dbraw/zinc/68/80/41/802688041.db2.gz SYLXJJAKEACUSV-UHFFFAOYSA-N 2 2 279.388 0.218 20 0 CCADLP CNc1ccnc(NCC2([NH+](C)C)CC[NH+](C)CC2)n1 ZINC001164207508 802688685 /nfs/dbraw/zinc/68/86/85/802688685.db2.gz ZAJPIYBOMPMQKW-UHFFFAOYSA-N 2 2 278.404 0.956 20 0 CCADLP COc1cc(C)c[nH+]c1N1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001165283373 802812846 /nfs/dbraw/zinc/81/28/46/802812846.db2.gz VUOPJSMDWCITCJ-RISCZKNCSA-N 2 2 263.341 0.417 20 0 CCADLP Cc1[nH+]c2c(n1-c1nccnc1N(C)C)CC[NH2+]CC2 ZINC001165352977 802826358 /nfs/dbraw/zinc/82/63/58/802826358.db2.gz KKONFLZKQKSPPK-UHFFFAOYSA-N 2 2 272.356 0.725 20 0 CCADLP Cc1[nH+]c2c(n1-c1ncccc1C(N)=O)CC[NH2+]CC2 ZINC001165352033 802826612 /nfs/dbraw/zinc/82/66/12/802826612.db2.gz LOJJHFSTSFMBPT-UHFFFAOYSA-N 2 2 271.324 0.363 20 0 CCADLP COC(=O)[C@H]1C[NH2+]CCN1c1cc(-n2cc[nH+]c2)ccn1 ZINC001165442343 802844680 /nfs/dbraw/zinc/84/46/80/802844680.db2.gz MVEANGJHRPPCID-GFCCVEGCSA-N 2 2 287.323 0.219 20 0 CCADLP CC(C)c1nc(C[NH2+]CCCNC(=O)CC[NH+](C)C)no1 ZINC001165793843 802866777 /nfs/dbraw/zinc/86/67/77/802866777.db2.gz CNZZBQJFHPNJOU-UHFFFAOYSA-N 2 2 297.403 0.741 20 0 CCADLP COCC[NH2+]C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001203493739 803030633 /nfs/dbraw/zinc/03/06/33/803030633.db2.gz CKMZWLOOCCGJML-UHFFFAOYSA-N 2 2 280.372 0.488 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1C[C@H]([NH2+]CCCO)C12CCC2 ZINC001203531231 803032729 /nfs/dbraw/zinc/03/27/29/803032729.db2.gz QNYZGRUNAYINLF-NWDGAFQWSA-N 2 2 292.383 0.352 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)c1cnc(C[NH3+])s1 ZINC000720263234 803051760 /nfs/dbraw/zinc/05/17/60/803051760.db2.gz UGVWULSYOYELNB-UHFFFAOYSA-N 2 2 265.342 0.537 20 0 CCADLP CCOC(=O)c1ccc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)[nH]1 ZINC001205681130 803154199 /nfs/dbraw/zinc/15/41/99/803154199.db2.gz FOVYDLZPGWDWHG-OAHLLOKOSA-N 2 2 295.383 0.867 20 0 CCADLP CCOC(=O)c1ccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)[nH]1 ZINC001205681130 803154200 /nfs/dbraw/zinc/15/42/00/803154200.db2.gz FOVYDLZPGWDWHG-OAHLLOKOSA-N 2 2 295.383 0.867 20 0 CCADLP Cc1[nH]c(CN2CCCC[C@](O)(C[NH3+])C2)c(C)[nH+]1 ZINC001205726889 803167241 /nfs/dbraw/zinc/16/72/41/803167241.db2.gz ZHHZVDIYJZCFFU-ZDUSSCGKSA-N 2 2 252.362 0.702 20 0 CCADLP COc1cc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)cc(OC)n1 ZINC001205726512 803167415 /nfs/dbraw/zinc/16/74/15/803167415.db2.gz TXEWSPUCWIYVAW-HNNXBMFYSA-N 2 2 295.383 0.775 20 0 CCADLP COc1cc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)cc(OC)n1 ZINC001205726512 803167416 /nfs/dbraw/zinc/16/74/16/803167416.db2.gz TXEWSPUCWIYVAW-HNNXBMFYSA-N 2 2 295.383 0.775 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1O ZINC001205960002 803191877 /nfs/dbraw/zinc/19/18/77/803191877.db2.gz WOSDZUZFSWDEBV-VXGBXAGGSA-N 2 2 264.325 0.352 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3c(c2)OCCO3)C[C@H]1O ZINC001205960002 803191882 /nfs/dbraw/zinc/19/18/82/803191882.db2.gz WOSDZUZFSWDEBV-VXGBXAGGSA-N 2 2 264.325 0.352 20 0 CCADLP COc1ncc(C[N@H+](C)CCN2CC[NH+](C)CC2)cn1 ZINC001206417805 803239660 /nfs/dbraw/zinc/23/96/60/803239660.db2.gz APQYZQVHPNMOCQ-UHFFFAOYSA-N 2 2 279.388 0.164 20 0 CCADLP COc1ncc(C[N@@H+](C)CCN2CC[NH+](C)CC2)cn1 ZINC001206417805 803239664 /nfs/dbraw/zinc/23/96/64/803239664.db2.gz APQYZQVHPNMOCQ-UHFFFAOYSA-N 2 2 279.388 0.164 20 0 CCADLP Cn1nc(-c2ccccc2)cc1C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206525131 803260456 /nfs/dbraw/zinc/26/04/56/803260456.db2.gz HOAJNMNVQMCOFB-BBRMVZONSA-N 2 2 286.379 0.839 20 0 CCADLP Cn1nc(-c2ccccc2)cc1C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206525131 803260464 /nfs/dbraw/zinc/26/04/64/803260464.db2.gz HOAJNMNVQMCOFB-BBRMVZONSA-N 2 2 286.379 0.839 20 0 CCADLP OCCn1cc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)cn1 ZINC001206563001 803266869 /nfs/dbraw/zinc/26/68/69/803266869.db2.gz YGBSMNYLMFODCY-UHFFFAOYSA-N 2 2 283.335 0.877 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C[NH2+]C[C@@H](C)O)CC1 ZINC001206898278 803302258 /nfs/dbraw/zinc/30/22/58/803302258.db2.gz KMLPSDBDQXGJFK-LLVKDONJSA-N 2 2 294.399 0.470 20 0 CCADLP COCCC[NH+]1CCN(CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001207304465 803382178 /nfs/dbraw/zinc/38/21/78/803382178.db2.gz WWFNITCBZCWPED-UHFFFAOYSA-N 2 2 299.459 0.751 20 0 CCADLP C[NH+]1CCC[C@@H](C[N@@H+]2Cc3ccnn3CC[C@@H]2CO)C1 ZINC001208619997 803529657 /nfs/dbraw/zinc/52/96/57/803529657.db2.gz ZYOWFQBTCZGZAO-UKRRQHHQSA-N 2 2 278.400 0.792 20 0 CCADLP C[N@@H+]1CCC[C@@H](C[NH+]2Cc3ccnn3CC[C@@H]2CO)C1 ZINC001208619997 803529650 /nfs/dbraw/zinc/52/96/50/803529650.db2.gz ZYOWFQBTCZGZAO-UKRRQHHQSA-N 2 2 278.400 0.792 20 0 CCADLP C[N@H+]1CCC[C@@H](C[NH+]2Cc3ccnn3CC[C@@H]2CO)C1 ZINC001208619997 803529654 /nfs/dbraw/zinc/52/96/54/803529654.db2.gz ZYOWFQBTCZGZAO-UKRRQHHQSA-N 2 2 278.400 0.792 20 0 CCADLP C[NH+]1CCC[C@@H](C[N@H+]2Cc3ccnn3CC[C@@H]2CO)C1 ZINC001208619997 803529661 /nfs/dbraw/zinc/52/96/61/803529661.db2.gz ZYOWFQBTCZGZAO-UKRRQHHQSA-N 2 2 278.400 0.792 20 0 CCADLP Cc1nnc(C[NH2+][C@H]2CCCN(C(=O)CC[NH+](C)C)C2)o1 ZINC001209446751 803604068 /nfs/dbraw/zinc/60/40/68/803604068.db2.gz UUXYRLRPMKISJE-LBPRGKRZSA-N 2 2 295.387 0.410 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccon2)C[C@H]1C ZINC001209635695 803620216 /nfs/dbraw/zinc/62/02/16/803620216.db2.gz USMLUEYCFQOVQL-TZMCWYRMSA-N 2 2 294.399 0.953 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccon2)C[C@H]1C ZINC001209635695 803620220 /nfs/dbraw/zinc/62/02/20/803620220.db2.gz USMLUEYCFQOVQL-TZMCWYRMSA-N 2 2 294.399 0.953 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]([NH2+]CCCF)C1 ZINC001209837922 803632331 /nfs/dbraw/zinc/63/23/31/803632331.db2.gz UGUXYWWCJCVAAV-NSHDSACASA-N 2 2 268.336 0.892 20 0 CCADLP COCCC[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001210666973 803657289 /nfs/dbraw/zinc/65/72/89/803657289.db2.gz BSNWYBUJJLGQRA-ZDUSSCGKSA-N 2 2 294.399 0.580 20 0 CCADLP CCOCC[NH2+][C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001210849727 803661408 /nfs/dbraw/zinc/66/14/08/803661408.db2.gz RAVKWZBIIFQTRS-ZDUSSCGKSA-N 2 2 294.399 0.878 20 0 CCADLP CC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](OC)C1 ZINC001213243942 803686500 /nfs/dbraw/zinc/68/65/00/803686500.db2.gz RIPWPAVHZVFJAJ-VXGBXAGGSA-N 2 2 266.345 0.109 20 0 CCADLP CC(C)OCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215684846 803823701 /nfs/dbraw/zinc/82/37/01/803823701.db2.gz FLTHAFAVGVYJDT-TZMCWYRMSA-N 2 2 294.399 0.814 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Oc2cccc(C[NH3+])c2)C[NH2+]1 ZINC001218177730 803934458 /nfs/dbraw/zinc/93/44/58/803934458.db2.gz LJMALWHGIUEALC-RYUDHWBXSA-N 2 2 250.298 0.428 20 0 CCADLP Cc1cnc(C)c(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)n1 ZINC001218495240 803961599 /nfs/dbraw/zinc/96/15/99/803961599.db2.gz CSBVTXAARWZBGS-BREBYQMCSA-N 2 2 261.329 0.254 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1n[nH]cc1Br ZINC001218507086 803973762 /nfs/dbraw/zinc/97/37/62/803973762.db2.gz HESLZMMSTQKJIT-SSDOTTSWSA-N 2 2 299.132 0.404 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1nc2c(s1)CCC2 ZINC001218517729 803979900 /nfs/dbraw/zinc/97/99/00/803979900.db2.gz HYNPLZXXHMBACD-VIFPVBQESA-N 2 2 291.380 0.874 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cnc(Cl)nc1Cl ZINC001218579745 804019277 /nfs/dbraw/zinc/01/92/77/804019277.db2.gz MMYGRNAVNMHARN-BYPYZUCNSA-N 2 2 264.116 0.398 20 0 CCADLP C[S@@](=O)CC[C@H]([NH3+])C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001218620411 804037047 /nfs/dbraw/zinc/03/70/47/804037047.db2.gz LXWLWPSTYRYMHI-APBUJDDRSA-N 2 2 281.381 0.027 20 0 CCADLP CC(=O)Nc1cc(NC(=O)C2([NH3+])CC[NH2+]CC2)ccn1 ZINC001218649540 804058143 /nfs/dbraw/zinc/05/81/43/804058143.db2.gz DMVIAEZXGDGLTJ-UHFFFAOYSA-N 2 2 277.328 0.059 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)Nc2cn[nH]c(=O)c2)cc1 ZINC001218652734 804063235 /nfs/dbraw/zinc/06/32/35/804063235.db2.gz PBQPYZQSWNJSKA-NSHDSACASA-N 2 2 273.296 0.393 20 0 CCADLP Nc1cc[nH]c(=O)c1NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001218678790 804077895 /nfs/dbraw/zinc/07/78/95/804077895.db2.gz LQFAVEJZQVUJRW-NSHDSACASA-N 2 2 287.323 0.580 20 0 CCADLP CN(C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)c1nc(Cl)ccc1N ZINC001218682539 804078512 /nfs/dbraw/zinc/07/85/12/804078512.db2.gz LAYVHWLCOIUKOJ-SECBINFHSA-N 2 2 294.746 0.573 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccc3[nH]nc(Cl)c3c2)C1 ZINC001218823875 804133507 /nfs/dbraw/zinc/13/35/07/804133507.db2.gz KPENQMZHPCPAPQ-LDWIPMOCSA-N 2 2 279.731 0.844 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC001218835613 804136983 /nfs/dbraw/zinc/13/69/83/804136983.db2.gz HVQXFQXOIOQEAF-SECBINFHSA-N 2 2 286.295 0.500 20 0 CCADLP NC1(C(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)CC[NH2+]CC1 ZINC001218847112 804139034 /nfs/dbraw/zinc/13/90/34/804139034.db2.gz BBQPDDVMUMPVFJ-UHFFFAOYSA-N 2 2 299.378 0.951 20 0 CCADLP Cc1c2ccc(NC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])cc2nn1C ZINC001218890244 804150089 /nfs/dbraw/zinc/15/00/89/804150089.db2.gz ZYIILTLILZOTPY-RYUDHWBXSA-N 2 2 273.340 0.367 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001218999460 804180086 /nfs/dbraw/zinc/18/00/86/804180086.db2.gz UDXFPYIJLVOTTF-XBFCOCLRSA-N 3 2 274.368 0.249 20 0 CCADLP C[NH+](C)CCc1ccc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc1 ZINC001219022700 804184383 /nfs/dbraw/zinc/18/43/83/804184383.db2.gz QFBQDWNXFVDERW-ZDUSSCGKSA-N 3 2 264.373 0.405 20 0 CCADLP COc1ccc(CO)c(NC(=O)C2([NH3+])CC[NH2+]CC2)c1 ZINC001219074740 804192263 /nfs/dbraw/zinc/19/22/63/804192263.db2.gz VLOGKJYKWVVDLG-UHFFFAOYSA-N 2 2 279.340 0.207 20 0 CCADLP COc1ccc(N)c(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)c1 ZINC001219142466 804215364 /nfs/dbraw/zinc/21/53/64/804215364.db2.gz QGVGNCWISVLQGX-NSHDSACASA-N 2 2 275.312 0.509 20 0 CCADLP CC[NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000310973274 804221528 /nfs/dbraw/zinc/22/15/28/804221528.db2.gz CTGGPBKSYNHGDM-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cc(OC(F)(F)F)ccc1O ZINC001219276242 804255994 /nfs/dbraw/zinc/25/59/94/804255994.db2.gz JFOKIJZROTXZNH-ZETCQYMHSA-N 2 2 293.245 0.905 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc2ncnc(Cl)c2c1 ZINC001219373568 804289742 /nfs/dbraw/zinc/28/97/42/804289742.db2.gz UEUAQQZFZBIDHU-VIFPVBQESA-N 2 2 279.731 0.898 20 0 CCADLP COC(=O)[C@H]1CCc2cc(NC(=O)[C@@H]([NH3+])CC[NH3+])ccc21 ZINC001219425044 804305745 /nfs/dbraw/zinc/30/57/45/804305745.db2.gz BJLWJADDNCWFGQ-STQMWFEESA-N 2 2 291.351 0.504 20 0 CCADLP CCC(CC)CNC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001219600371 804368386 /nfs/dbraw/zinc/36/83/86/804368386.db2.gz QZYUNMUDKPBCDY-LBPRGKRZSA-N 2 2 252.362 0.842 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCC[C@H]1F ZINC001219671807 804400671 /nfs/dbraw/zinc/40/06/71/804400671.db2.gz QMKGQLUJUQCSAK-GMTAPVOTSA-N 2 2 254.309 0.676 20 0 CCADLP C[C@@H]1CCCC[C@@H]1CNC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001219673202 804402003 /nfs/dbraw/zinc/40/20/03/804402003.db2.gz FYZHAHCFSQJVKX-UMVBOHGHSA-N 2 2 296.459 0.679 20 0 CCADLP Cn1cc(C[C@H]([NH3+])C(=O)NC2C[NH+](C)C2)c2ccccc21 ZINC001220013461 804471964 /nfs/dbraw/zinc/47/19/64/804471964.db2.gz WRIIPAWGHFNOPC-AWEZNQCLSA-N 2 2 286.379 0.478 20 0 CCADLP O=C(NCc1nccc2ccccc21)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220046820 804483878 /nfs/dbraw/zinc/48/38/78/804483878.db2.gz FTMIOGUHPLGBPH-DYVFJYSZSA-N 2 2 296.374 0.803 20 0 CCADLP C[NH2+]CCNC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC001220051196 804485180 /nfs/dbraw/zinc/48/51/80/804485180.db2.gz NYBSIIMVTMUWJV-GFCCVEGCSA-N 2 2 262.357 0.634 20 0 CCADLP CCCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220105666 804500733 /nfs/dbraw/zinc/50/07/33/804500733.db2.gz GPSVSZYSNFEILV-OLZOCXBDSA-N 2 2 280.372 0.235 20 0 CCADLP CCCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220105666 804500736 /nfs/dbraw/zinc/50/07/36/804500736.db2.gz GPSVSZYSNFEILV-OLZOCXBDSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@@]1(O)C[C@H](NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)C1 ZINC001220149788 804515706 /nfs/dbraw/zinc/51/57/06/804515706.db2.gz CMMVFGPGCCEDAE-SGMGOOAPSA-N 2 2 263.341 0.288 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NCc2cn[nH]c2)cc1 ZINC001220150291 804516297 /nfs/dbraw/zinc/51/62/97/804516297.db2.gz XMWUVWZKULJSSG-LBPRGKRZSA-N 2 2 259.313 0.298 20 0 CCADLP CC[C@@H](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220240471 804546385 /nfs/dbraw/zinc/54/63/85/804546385.db2.gz LQFROAMDYVGIMM-NAWOPXAZSA-N 2 2 253.390 0.877 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)C1CCC(C[NH3+])CC1 ZINC001220274631 804558383 /nfs/dbraw/zinc/55/83/83/804558383.db2.gz LLZJVQVEJWBBBS-UHFFFAOYSA-N 2 2 294.399 0.911 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC001220274581 804558951 /nfs/dbraw/zinc/55/89/51/804558951.db2.gz JJKDCYAUXUOLKW-WCQYABFASA-N 2 2 280.372 0.534 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)[C@@H]1CC[NH2+]C[C@H]1F ZINC001220274476 804559042 /nfs/dbraw/zinc/55/90/42/804559042.db2.gz DNPJRZGBIAUUMK-VXGBXAGGSA-N 2 2 284.335 0.093 20 0 CCADLP [NH3+]C12CCC(C(=O)N[C@@H](CO)Cc3c[nH]c[nH+]3)(CC1)CC2 ZINC001220290758 804564253 /nfs/dbraw/zinc/56/42/53/804564253.db2.gz DEWVAKZXKMEHCJ-LRVUVFPRSA-N 2 2 292.383 0.481 20 0 CCADLP [NH3+]C12CCC(C(=O)N[C@@H](CO)Cc3c[nH+]c[nH]3)(CC1)CC2 ZINC001220290758 804564260 /nfs/dbraw/zinc/56/42/60/804564260.db2.gz DEWVAKZXKMEHCJ-LRVUVFPRSA-N 2 2 292.383 0.481 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCC(F)(F)C1 ZINC001220308106 804568705 /nfs/dbraw/zinc/56/87/05/804568705.db2.gz COAZLMWKFKJFKV-PSASIEDQSA-N 2 2 272.299 0.974 20 0 CCADLP [NH3+][C@@H](CNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)c1ccccc1 ZINC001220499869 804616612 /nfs/dbraw/zinc/61/66/12/804616612.db2.gz FFORCYOSEUNXIJ-COMQUAJESA-N 3 2 274.368 0.024 20 0 CCADLP C[C@H](NC(=O)C1([NH3+])CC[NH2+]CC1)[C@H](O)c1cccc(O)c1 ZINC001220548807 804621648 /nfs/dbraw/zinc/62/16/48/804621648.db2.gz SSYBPQUYLWQDKY-GWCFXTLKSA-N 2 2 293.367 0.011 20 0 CCADLP O=C(NCOc1ccccc1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220562534 804624430 /nfs/dbraw/zinc/62/44/30/804624430.db2.gz BHYKKZPSFUBZPX-WCFLWFBJSA-N 2 2 261.325 0.089 20 0 CCADLP O=C(NCC(F)(F)c1ccccn1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220569369 804625377 /nfs/dbraw/zinc/62/53/77/804625377.db2.gz JZEJSCPXLFDWIL-GWCFXTLKSA-N 2 2 296.321 0.241 20 0 CCADLP COc1cc(F)cc(CNC(=O)C2([NH3+])CC[NH2+]CC2)c1 ZINC001220665499 804645279 /nfs/dbraw/zinc/64/52/79/804645279.db2.gz AZBMUZMLXMDPFX-UHFFFAOYSA-N 2 2 281.331 0.531 20 0 CCADLP COC1CCC(CCNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001220754655 804660464 /nfs/dbraw/zinc/66/04/64/804660464.db2.gz KFFYESMZYPDILF-MFQJDOPTSA-N 2 2 295.427 0.649 20 0 CCADLP [NH3+]C1(C(=O)NCCC2CCC(O)CC2)CC[NH2+]CC1 ZINC001220759116 804661980 /nfs/dbraw/zinc/66/19/80/804661980.db2.gz OVGJAFUTJXEGHB-UHFFFAOYSA-N 2 2 269.389 0.125 20 0 CCADLP C[C@H](CNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)CC(C)(C)CC[NH3+] ZINC001220763926 804662403 /nfs/dbraw/zinc/66/24/03/804662403.db2.gz SRYWTJJGAFCHLE-WOSRLPQWSA-N 3 2 296.459 0.455 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](F)CC)C[C@@H]1O ZINC001220829610 804676789 /nfs/dbraw/zinc/67/67/89/804676789.db2.gz XKZMIDQTKRDYLG-XQQFMLRXSA-N 2 2 289.395 0.238 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C[C@@H](F)CC)C[C@@H]1O ZINC001220829610 804676792 /nfs/dbraw/zinc/67/67/92/804676792.db2.gz XKZMIDQTKRDYLG-XQQFMLRXSA-N 2 2 289.395 0.238 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](F)CC)C[C@@H]1O ZINC001220829610 804676799 /nfs/dbraw/zinc/67/67/99/804676799.db2.gz XKZMIDQTKRDYLG-XQQFMLRXSA-N 2 2 289.395 0.238 20 0 CCADLP CC1(C)C[C@@H](CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CCO1 ZINC001220952876 804706210 /nfs/dbraw/zinc/70/62/10/804706210.db2.gz GZAZKBFCYNVMAJ-ZDEQEGDKSA-N 2 2 281.400 0.258 20 0 CCADLP Cc1cc2c(cn1)[C@@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])CC2 ZINC001220960158 804709464 /nfs/dbraw/zinc/70/94/64/804709464.db2.gz JQJYRYXQTCHXGP-AVGNSLFASA-N 2 2 260.341 0.040 20 0 CCADLP [NH3+]CCSC[C@H]([NH3+])C(=O)NCc1c[nH+]cn1C1CCC1 ZINC001221023930 804721599 /nfs/dbraw/zinc/72/15/99/804721599.db2.gz VXOUMHQCIBHRIP-LBPRGKRZSA-N 3 2 297.428 0.244 20 0 CCADLP O=C(NC[C@@H]1CCc2ccccc21)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221100064 804729900 /nfs/dbraw/zinc/72/99/00/804729900.db2.gz BQYNBORHARHSCG-GRDNDAEWSA-N 2 2 285.391 0.784 20 0 CCADLP [NH3+]C1(C(=O)NC[C@]2(CC3CC3)CCC[NH2+]2)CC[NH2+]CC1 ZINC001221247880 804757857 /nfs/dbraw/zinc/75/78/57/804757857.db2.gz AHSQBASTHDFXRJ-CQSZACIVSA-N 3 2 280.416 0.106 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@@H]2CCOc3c(F)cc(F)cc32)C1 ZINC001221259915 804761317 /nfs/dbraw/zinc/76/13/17/804761317.db2.gz AWJVREJTGMECGM-FXAINCCUSA-N 2 2 297.305 0.594 20 0 CCADLP c1cc(-c2cnc(N3CC[NH2+]CC3)nc2)c2c([nH+]1)NCC2 ZINC001241899870 806985766 /nfs/dbraw/zinc/98/57/66/806985766.db2.gz OXRZLQQBTKRETG-UHFFFAOYSA-N 2 2 282.351 0.916 20 0 CCADLP Cc1ncsc1CCNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001221330917 804778330 /nfs/dbraw/zinc/77/83/30/804778330.db2.gz YKXPWKQMMCUVFZ-BREBYQMCSA-N 2 2 280.397 0.332 20 0 CCADLP Cc1ncsc1CCNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001221330868 804778982 /nfs/dbraw/zinc/77/89/82/804778982.db2.gz XYDDUELEFILUMI-JTQLQIEISA-N 2 2 279.369 0.403 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCCOc1cccc2ccoc21 ZINC001221383583 804797179 /nfs/dbraw/zinc/79/71/79/804797179.db2.gz ROUNQMAZHVHJID-RYUDHWBXSA-N 2 2 289.335 0.475 20 0 CCADLP C[C@@H](O)CCC[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222098813 804868857 /nfs/dbraw/zinc/86/88/57/804868857.db2.gz QEDUAZLKSMRFEQ-KGLIPLIRSA-N 2 2 294.399 0.625 20 0 CCADLP CCOCC[N@@H+]1CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001276892662 804973124 /nfs/dbraw/zinc/97/31/24/804973124.db2.gz SMQFSMSTCPYTCO-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP CCOCC[N@H+]1CC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001276892662 804973130 /nfs/dbraw/zinc/97/31/30/804973130.db2.gz SMQFSMSTCPYTCO-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP C[C@H](O)C[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001225677249 805150287 /nfs/dbraw/zinc/15/02/87/805150287.db2.gz SWJUJFCYHSWNBB-LBPRGKRZSA-N 2 2 280.372 0.092 20 0 CCADLP CC[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001277195899 805340785 /nfs/dbraw/zinc/34/07/85/805340785.db2.gz XLBMQXZBTNOOAN-JTQLQIEISA-N 2 2 250.346 0.847 20 0 CCADLP CC[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001277195899 805340790 /nfs/dbraw/zinc/34/07/90/805340790.db2.gz XLBMQXZBTNOOAN-JTQLQIEISA-N 2 2 250.346 0.847 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCO ZINC001229940024 805567154 /nfs/dbraw/zinc/56/71/54/805567154.db2.gz TXMHAJBNUZLVIW-CHWSQXEVSA-N 2 2 294.399 0.660 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246025877 807124199 /nfs/dbraw/zinc/12/41/99/807124199.db2.gz DHNRWNSFOPCSIM-XUWVNRHRSA-N 3 2 295.402 0.679 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246025877 807124205 /nfs/dbraw/zinc/12/42/05/807124205.db2.gz DHNRWNSFOPCSIM-XUWVNRHRSA-N 3 2 295.402 0.679 20 0 CCADLP COc1ccc(OC[C@H](O)C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001246045435 807131497 /nfs/dbraw/zinc/13/14/97/807131497.db2.gz KHFHVKVECPRWHC-XJKCOSOUSA-N 2 2 292.379 0.858 20 0 CCADLP COc1ccc(OC[C@H](O)C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001246045435 807131501 /nfs/dbraw/zinc/13/15/01/807131501.db2.gz KHFHVKVECPRWHC-XJKCOSOUSA-N 2 2 292.379 0.858 20 0 CCADLP COc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246048640 807133137 /nfs/dbraw/zinc/13/31/37/807133137.db2.gz ZDJCATAWSDLVBG-WOSRLPQWSA-N 2 2 292.379 0.858 20 0 CCADLP COc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001246048640 807133141 /nfs/dbraw/zinc/13/31/41/807133141.db2.gz ZDJCATAWSDLVBG-WOSRLPQWSA-N 2 2 292.379 0.858 20 0 CCADLP CC[C@H]([NH3+])C[N@H+](C)C[C@H](O)COc1ccc(CCO)cc1 ZINC001246060386 807137892 /nfs/dbraw/zinc/13/78/92/807137892.db2.gz SSIMCMKHRUPZMK-GJZGRUSLSA-N 2 2 296.411 0.630 20 0 CCADLP CC[C@H]([NH3+])C[N@@H+](C)C[C@H](O)COc1ccc(CCO)cc1 ZINC001246060386 807137896 /nfs/dbraw/zinc/13/78/96/807137896.db2.gz SSIMCMKHRUPZMK-GJZGRUSLSA-N 2 2 296.411 0.630 20 0 CCADLP COc1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2C[NH3+])c1 ZINC001246065486 807138681 /nfs/dbraw/zinc/13/86/81/807138681.db2.gz PAPZQYQQTJLCHG-OLZOCXBDSA-N 2 2 280.368 0.858 20 0 CCADLP COc1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2C[NH3+])c1 ZINC001246065486 807138686 /nfs/dbraw/zinc/13/86/86/807138686.db2.gz PAPZQYQQTJLCHG-OLZOCXBDSA-N 2 2 280.368 0.858 20 0 CCADLP COc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC001246069751 807140056 /nfs/dbraw/zinc/14/00/56/807140056.db2.gz ZIIJKDXLMIWBAB-OLZOCXBDSA-N 2 2 280.368 0.858 20 0 CCADLP COc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC001246069751 807140060 /nfs/dbraw/zinc/14/00/60/807140060.db2.gz ZIIJKDXLMIWBAB-OLZOCXBDSA-N 2 2 280.368 0.858 20 0 CCADLP F[C@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCN(c2ncccn2)CC1 ZINC001246088171 807148729 /nfs/dbraw/zinc/14/87/29/807148729.db2.gz RRGJEJCBMRBTBM-STQMWFEESA-N 2 2 279.363 0.735 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)CN1 ZINC001246097870 807152123 /nfs/dbraw/zinc/15/21/23/807152123.db2.gz OYZBYRBQJZXGDW-NDBYEHHHSA-N 2 2 269.389 0.258 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@@H]2C[NH2+]CC23CC3)C[NH2+]1 ZINC001246130554 807161231 /nfs/dbraw/zinc/16/12/31/807161231.db2.gz HYRKXHATLDUIFK-SDDRHHMPSA-N 2 2 281.400 0.400 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@@]23CCC[C@@H]2[NH2+]CC3)C[NH2+]1 ZINC001246138323 807164151 /nfs/dbraw/zinc/16/41/51/807164151.db2.gz YJWSBBHDPRTTQQ-WFGGJUAMSA-N 2 2 295.427 0.933 20 0 CCADLP COC(=O)CC[C@H](C)[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246152455 807168901 /nfs/dbraw/zinc/16/89/01/807168901.db2.gz YVDLDYQTDIBQGQ-STQMWFEESA-N 3 2 283.416 0.792 20 0 CCADLP CC(C)(C)OC(=O)[C@H](CCC[NH3+])[NH2+][C@@H]1CCNC(=O)C1 ZINC001246206592 807186149 /nfs/dbraw/zinc/18/61/49/807186149.db2.gz IKCHPSWOZMYFHO-MNOVXSKESA-N 2 2 285.388 0.304 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCN(C3COC3)C2)C[NH2+]1 ZINC001246223821 807191213 /nfs/dbraw/zinc/19/12/13/807191213.db2.gz VILHVGFZLFDIPY-FRRDWIJNSA-N 2 2 253.390 0.580 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2COCCC23OCCO3)CC[NH2+]1 ZINC001246219905 807191549 /nfs/dbraw/zinc/19/15/49/807191549.db2.gz AJTAUCCMAHWWCO-WOPDTQHZSA-N 2 2 256.346 0.249 20 0 CCADLP C[C@H]1CC[C@@H](NCC2([NH+]3CCCC3)COC2)C[NH2+]1 ZINC001246220818 807191601 /nfs/dbraw/zinc/19/16/01/807191601.db2.gz IAZBIUQZZBHRBA-QWHCGFSZSA-N 2 2 253.390 0.581 20 0 CCADLP CC(C)(C)OC(=O)C(C)(C)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246266640 807202629 /nfs/dbraw/zinc/20/26/29/807202629.db2.gz XVVRMZGTBFDFOY-LLVKDONJSA-N 2 2 283.416 0.790 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2(C[NH3+])CCCC2)CN1 ZINC001246285227 807208893 /nfs/dbraw/zinc/20/88/93/807208893.db2.gz GSEDPTQMGQSMLN-NEPJUHHUSA-N 2 2 269.389 0.531 20 0 CCADLP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246300665 807213971 /nfs/dbraw/zinc/21/39/71/807213971.db2.gz TXFGERGYZGBYEM-MGPQQGTHSA-N 3 2 295.427 0.649 20 0 CCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246330412 807223617 /nfs/dbraw/zinc/22/36/17/807223617.db2.gz ACGIIGYZBBGDKT-BRZZBQFESA-N 2 2 292.383 0.377 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H](N[C@H]2CCC[NH2+][C@@H]2C)C[NH2+]1 ZINC001246332985 807225197 /nfs/dbraw/zinc/22/51/97/807225197.db2.gz TYCWZYTWTCXSPB-OWTLIXCDSA-N 2 2 269.389 0.400 20 0 CCADLP CCOC(=O)[C@H](N)C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246415530 807247021 /nfs/dbraw/zinc/24/70/21/807247021.db2.gz DIFVUIUJPLTNRA-KFWWJZLASA-N 2 2 291.395 0.960 20 0 CCADLP COCCC1([NH3+])CC[NH+]([C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246422750 807250269 /nfs/dbraw/zinc/25/02/69/807250269.db2.gz FHIIOLFMHXVYPG-QWHCGFSZSA-N 3 2 255.406 0.957 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC[NH2+]C(C)C)CN1 ZINC001246456131 807254230 /nfs/dbraw/zinc/25/42/30/807254230.db2.gz ZCOJHTOPDMJTEL-NEPJUHHUSA-N 2 2 257.378 0.258 20 0 CCADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)N[C@@H]1CCC[NH2+]C1 ZINC001246469563 807258573 /nfs/dbraw/zinc/25/85/73/807258573.db2.gz OKPAOENUQSYVMY-YPMHNXCESA-N 2 2 280.372 0.236 20 0 CCADLP CCCCOC(=O)CC[C@H](C)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246489304 807263159 /nfs/dbraw/zinc/26/31/59/807263159.db2.gz MYUWNKMFKZNZAF-QWHCGFSZSA-N 2 2 271.405 0.649 20 0 CCADLP CCCCOC(=O)CC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246489308 807263540 /nfs/dbraw/zinc/26/35/40/807263540.db2.gz MYUWNKMFKZNZAF-STQMWFEESA-N 2 2 271.405 0.649 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@@H](N[C@H]2C[C@@H]([NH2+]C)C2)C[NH2+]1 ZINC001246495799 807265183 /nfs/dbraw/zinc/26/51/83/807265183.db2.gz LRJWVSLGIDTZSJ-LSCVPOLPSA-N 2 2 255.362 0.010 20 0 CCADLP [NH3+]C[C@@H]([NH2+][C@@H]1CCOC2(C[NH2+]C2)C1)c1ccccc1 ZINC001246506681 807269064 /nfs/dbraw/zinc/26/90/64/807269064.db2.gz INPKYLWANQFCIV-ZIAGYGMSSA-N 3 2 261.369 0.797 20 0 CCADLP [NH3+]CCCC[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)C(=O)N1CCCC1 ZINC001246522303 807273332 /nfs/dbraw/zinc/27/33/32/807273332.db2.gz ZXDSTMKYSSBPPI-CABCVRRESA-N 3 2 296.459 0.838 20 0 CCADLP CCCCC[C@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(=O)OC ZINC001246526668 807274207 /nfs/dbraw/zinc/27/42/07/807274207.db2.gz WLPRWZQKKTUUQZ-OLZOCXBDSA-N 2 2 283.416 0.792 20 0 CCADLP CCCCC[C@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C(=O)OC ZINC001246526669 807274399 /nfs/dbraw/zinc/27/43/99/807274399.db2.gz WLPRWZQKKTUUQZ-STQMWFEESA-N 2 2 283.416 0.792 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C[C@@H]1O ZINC001246578630 807299732 /nfs/dbraw/zinc/29/97/32/807299732.db2.gz GVISXHURFQWGEZ-JJXSEGSLSA-N 3 2 275.396 0.731 20 0 CCADLP [NH3+]C[C@H]1C[N@H+]([C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C[C@@H]1O ZINC001246578630 807299735 /nfs/dbraw/zinc/29/97/35/807299735.db2.gz GVISXHURFQWGEZ-JJXSEGSLSA-N 3 2 275.396 0.731 20 0 CCADLP OC[C@@H]1C[C@@H]2OCC[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@H]2C1 ZINC001246654319 807348326 /nfs/dbraw/zinc/34/83/26/807348326.db2.gz JXTYLFPKFQPGHR-REVZXKJASA-N 2 2 266.385 0.741 20 0 CCADLP OC[C@@H]1C[C@@H]2OCC[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)[C@H]2C1 ZINC001246654319 807348336 /nfs/dbraw/zinc/34/83/36/807348336.db2.gz JXTYLFPKFQPGHR-REVZXKJASA-N 2 2 266.385 0.741 20 0 CCADLP CN(C)C(=O)[C@@H]1CC12CC[NH+]([C@@H]1CCC[NH2+]C1)CC2 ZINC001246759565 807373644 /nfs/dbraw/zinc/37/36/44/807373644.db2.gz NGZGDWHZGPWUJZ-OLZOCXBDSA-N 2 2 265.401 0.929 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N2CC[C@H]([NH+]3CCCCC3)C2)C[NH2+]1 ZINC001246800532 807388187 /nfs/dbraw/zinc/38/81/87/807388187.db2.gz QNCCEJMGPZATEU-IHRRRGAJSA-N 2 2 281.400 0.450 20 0 CCADLP CCN(CC[NH+]1CCOCC1)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246839432 807401811 /nfs/dbraw/zinc/40/18/11/807401811.db2.gz BFMVCSHTGZVKEI-KGLIPLIRSA-N 2 2 255.406 0.781 20 0 CCADLP C[C@H]1CC[C@@H]([NH+]2CCC(OCC(=O)NC3CC3)CC2)C[NH2+]1 ZINC001246845550 807403484 /nfs/dbraw/zinc/40/34/84/807403484.db2.gz OSRJSOLCSLWPMK-GXTWGEPZSA-N 2 2 295.427 0.887 20 0 CCADLP COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246908347 807425832 /nfs/dbraw/zinc/42/58/32/807425832.db2.gz APKNYSMPVFYNBA-HNGCFSAESA-N 2 2 295.383 0.023 20 0 CCADLP COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246908347 807425834 /nfs/dbraw/zinc/42/58/34/807425834.db2.gz APKNYSMPVFYNBA-HNGCFSAESA-N 2 2 295.383 0.023 20 0 CCADLP c1cc(N2CCC([N@@H+]3C[C@@H]4C[NH2+]C[C@@H]43)CC2)cc[nH+]1 ZINC001246923809 807429834 /nfs/dbraw/zinc/42/98/34/807429834.db2.gz ZODKQWINRFZJCL-WFASDCNBSA-N 3 2 258.369 0.954 20 0 CCADLP c1cc(N2CCC([N@H+]3C[C@@H]4C[NH2+]C[C@@H]43)CC2)cc[nH+]1 ZINC001246923809 807429840 /nfs/dbraw/zinc/42/98/40/807429840.db2.gz ZODKQWINRFZJCL-WFASDCNBSA-N 3 2 258.369 0.954 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C2CCC3(COC3)CC2)C[C@H]1[NH3+] ZINC001246931788 807431246 /nfs/dbraw/zinc/43/12/46/807431246.db2.gz OCCFFCPPGIOJFX-VXGBXAGGSA-N 2 2 268.357 0.378 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C2CCC3(COC3)CC2)C[C@H]1[NH3+] ZINC001246931788 807431252 /nfs/dbraw/zinc/43/12/52/807431252.db2.gz OCCFFCPPGIOJFX-VXGBXAGGSA-N 2 2 268.357 0.378 20 0 CCADLP COC(=O)CCCC[C@H](C)[N@@H+]1C[C@@H]([NH3+])[C@@H](C(=O)OC)C1 ZINC001246939511 807435213 /nfs/dbraw/zinc/43/52/13/807435213.db2.gz RZPUHWCFRIDZMW-SDDRHHMPSA-N 2 2 286.372 0.540 20 0 CCADLP COC(=O)CCCC[C@H](C)[N@H+]1C[C@@H]([NH3+])[C@@H](C(=O)OC)C1 ZINC001246939511 807435216 /nfs/dbraw/zinc/43/52/16/807435216.db2.gz RZPUHWCFRIDZMW-SDDRHHMPSA-N 2 2 286.372 0.540 20 0 CCADLP C[C@@H]1C[C@@H](N2CC([NH+]3C[C@@H](C)O[C@H](C)C3)C2)CC[NH2+]1 ZINC001246985540 807446959 /nfs/dbraw/zinc/44/69/59/807446959.db2.gz CQMNVFRRGZNNNF-SYQHCUMBSA-N 2 2 267.417 0.920 20 0 CCADLP [NH3+][C@H]1C[N@@H+](C2CCC3(CCC[NH2+]C3)CC2)CC12COC2 ZINC001246992896 807450054 /nfs/dbraw/zinc/45/00/54/807450054.db2.gz WXOQXCMKOQGPAM-SLTAFYQDSA-N 3 2 279.428 0.958 20 0 CCADLP [NH3+][C@H]1C[N@H+](C2CCC3(CCC[NH2+]C3)CC2)CC12COC2 ZINC001246992896 807450055 /nfs/dbraw/zinc/45/00/55/807450055.db2.gz WXOQXCMKOQGPAM-SLTAFYQDSA-N 3 2 279.428 0.958 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247015281 807452922 /nfs/dbraw/zinc/45/29/22/807452922.db2.gz OADBFRIGAYJMLF-ILXRZTDVSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247015281 807452924 /nfs/dbraw/zinc/45/29/24/807452924.db2.gz OADBFRIGAYJMLF-ILXRZTDVSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+](C)Cc1ccc(-c2noc([C@H]([NH3+])CO)n2)cc1 ZINC001247492063 807462591 /nfs/dbraw/zinc/46/25/91/807462591.db2.gz ZAPAOSJKLOKCAK-LLVKDONJSA-N 2 2 262.313 0.790 20 0 CCADLP [NH3+]CC(=O)NCc1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001247627759 807472797 /nfs/dbraw/zinc/47/27/97/807472797.db2.gz WOLHRPXBEOWTEF-UHFFFAOYSA-N 2 2 298.306 0.497 20 0 CCADLP COc1ccc(F)c(-c2noc(C[C@@H]([NH3+])C[NH3+])n2)c1 ZINC001249128478 807544811 /nfs/dbraw/zinc/54/48/11/807544811.db2.gz DBWOJHTURQLDJH-SSDOTTSWSA-N 2 2 266.276 0.713 20 0 CCADLP C[NH+](C)CCNC(=S)N1CCC(n2cc[nH+]c2)CC1 ZINC001249836352 807574311 /nfs/dbraw/zinc/57/43/11/807574311.db2.gz MGKXMMWJGKVJDJ-UHFFFAOYSA-N 2 2 281.429 0.956 20 0 CCADLP O[C@@H](CNc1ccc2[nH+]ccn2c1)C[NH+]1CCOCC1 ZINC001251006048 807637364 /nfs/dbraw/zinc/63/73/64/807637364.db2.gz CIKCAXGQYQNMKT-ZDUSSCGKSA-N 2 2 276.340 0.439 20 0 CCADLP CCc1cccc(NC[C@@H](O)C[NH+]2CCOCC2)[nH+]1 ZINC001251007185 807639072 /nfs/dbraw/zinc/63/90/72/807639072.db2.gz SRCKFGPWVPTEFO-CYBMUJFWSA-N 2 2 265.357 0.749 20 0 CCADLP CC(C)(C)C[N@@H+]1CC[C@H](NC[C@H](O)C[NH+]2CCOCC2)C1 ZINC001251044696 807655171 /nfs/dbraw/zinc/65/51/71/807655171.db2.gz BCLFASBSTIRPLF-GJZGRUSLSA-N 2 2 299.459 0.390 20 0 CCADLP CC(C)(C)C[N@H+]1CC[C@H](NC[C@H](O)C[NH+]2CCOCC2)C1 ZINC001251044696 807655177 /nfs/dbraw/zinc/65/51/77/807655177.db2.gz BCLFASBSTIRPLF-GJZGRUSLSA-N 2 2 299.459 0.390 20 0 CCADLP COc1ccc(OC[C@@H](O)C[NH2+]CCc2[nH]cc[nH+]2)cc1 ZINC001252731389 807951508 /nfs/dbraw/zinc/95/15/08/807951508.db2.gz YQAYLBWQGSLIDR-LBPRGKRZSA-N 2 2 291.351 0.990 20 0 CCADLP CC1(CO)C[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001252921641 807986259 /nfs/dbraw/zinc/98/62/59/807986259.db2.gz CZEZWKXIZJZALW-KRWDZBQOSA-N 2 2 290.407 0.938 20 0 CCADLP CC1(CO)C[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001252921641 807986263 /nfs/dbraw/zinc/98/62/63/807986263.db2.gz CZEZWKXIZJZALW-KRWDZBQOSA-N 2 2 290.407 0.938 20 0 CCADLP OC1(C[NH2+]CCOc2cc[nH+]cc2)CCOCC1 ZINC001252980463 807999696 /nfs/dbraw/zinc/99/96/96/807999696.db2.gz PMQOTFKMXUYJGV-UHFFFAOYSA-N 2 2 252.314 0.592 20 0 CCADLP C[NH+]1CCN(C2C[NH+](C[C@@](C)(O)c3ccccc3)C2)CC1 ZINC001253105705 808004176 /nfs/dbraw/zinc/00/41/76/808004176.db2.gz QWWVEUQEEBBIHF-QGZVFWFLSA-N 2 2 289.423 0.826 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@H](c2nc(C)no2)C1 ZINC001253188298 808023614 /nfs/dbraw/zinc/02/36/14/808023614.db2.gz VCFIZTNEGBBHMJ-QWHCGFSZSA-N 2 2 282.388 0.870 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CC[C@H](c2nc(C)no2)C1 ZINC001253188298 808023617 /nfs/dbraw/zinc/02/36/17/808023617.db2.gz VCFIZTNEGBBHMJ-QWHCGFSZSA-N 2 2 282.388 0.870 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@H+](C)[C@@H]1CCCN(C(C)=O)C1 ZINC001253194198 808026285 /nfs/dbraw/zinc/02/62/85/808026285.db2.gz KHKZVZLPIXGOKD-HUUCEWRRSA-N 2 2 285.432 0.632 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@@H+](C)[C@@H]1CCCN(C(C)=O)C1 ZINC001253194198 808026292 /nfs/dbraw/zinc/02/62/92/808026292.db2.gz KHKZVZLPIXGOKD-HUUCEWRRSA-N 2 2 285.432 0.632 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]Cc1ccc(C(=O)OC)[nH]1 ZINC001253211894 808035363 /nfs/dbraw/zinc/03/53/63/808035363.db2.gz CCNVQYXKISBUOZ-GFCCVEGCSA-N 2 2 283.372 0.594 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CC(=O)NCc1ccco1 ZINC001253408129 808061767 /nfs/dbraw/zinc/06/17/67/808061767.db2.gz UQYMDZSFADAEDO-NSHDSACASA-N 2 2 283.372 0.234 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253413097 808064442 /nfs/dbraw/zinc/06/44/42/808064442.db2.gz XXLMILJUTAISCE-FRRDWIJNSA-N 3 2 257.422 0.665 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253413097 808064449 /nfs/dbraw/zinc/06/44/49/808064449.db2.gz XXLMILJUTAISCE-FRRDWIJNSA-N 3 2 257.422 0.665 20 0 CCADLP CNc1cc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)nc[nH+]1 ZINC000128338379 815171785 /nfs/dbraw/zinc/17/17/85/815171785.db2.gz ABWZTCHCQAXAKO-MNOVXSKESA-N 2 2 263.345 0.793 20 0 CCADLP CNc1cc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)nc[nH+]1 ZINC000128338379 815171790 /nfs/dbraw/zinc/17/17/90/815171790.db2.gz ABWZTCHCQAXAKO-MNOVXSKESA-N 2 2 263.345 0.793 20 0 CCADLP Cc1c[nH]c(CC[NH2+]C[C@@H](O)C(=O)OC(C)(C)C)[nH+]1 ZINC001253700494 808121569 /nfs/dbraw/zinc/12/15/69/808121569.db2.gz UJYJQRZRURQNDL-SNVBAGLBSA-N 2 2 269.345 0.553 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH2+]CCCn1cc[nH+]c1 ZINC001253788755 808139082 /nfs/dbraw/zinc/13/90/82/808139082.db2.gz HCOSOQILTXSSNT-NSHDSACASA-N 2 2 255.318 0.177 20 0 CCADLP COc1cc(N2CCN(C(=O)C3C[NH+](C)C3)CC2)cc[nH+]1 ZINC001142595671 815189544 /nfs/dbraw/zinc/18/95/44/815189544.db2.gz JFLKUWRFYIRZEZ-UHFFFAOYSA-N 2 2 290.367 0.300 20 0 CCADLP O=C1C[C@@H](C[NH2+][C@@H]2CC3CC[NH+](CC3)C2)CCN1 ZINC001254833086 808281793 /nfs/dbraw/zinc/28/17/93/808281793.db2.gz MPGFZESZYNMVMA-QWHCGFSZSA-N 2 2 251.374 0.587 20 0 CCADLP O=C(CC[NH2+][C@H]1CC2CC[NH+](CC2)C1)N1CCOCC1 ZINC001254830568 808282143 /nfs/dbraw/zinc/28/21/43/808282143.db2.gz HAKRGKZEHUMRQI-AWEZNQCLSA-N 2 2 281.400 0.309 20 0 CCADLP CS(=O)(=O)N1CC[C@@H]([NH2+][C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254845539 808286895 /nfs/dbraw/zinc/28/68/95/808286895.db2.gz OKUFUZJVUMIEHQ-CHWSQXEVSA-N 2 2 287.429 0.094 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])N[C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254924125 808297026 /nfs/dbraw/zinc/29/70/26/808297026.db2.gz JEEJIDMTMMXBSH-GDNZZTSVSA-N 2 2 264.373 0.516 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1[NH3+] ZINC001255561339 808402938 /nfs/dbraw/zinc/40/29/38/808402938.db2.gz AFDGHRSHYWQXHF-QEJZJMRPSA-N 2 2 263.385 0.823 20 0 CCADLP CC(C)=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001278878121 808418720 /nfs/dbraw/zinc/41/87/20/808418720.db2.gz JEQNAHRGNCLMFA-ZDUSSCGKSA-N 2 2 294.399 0.670 20 0 CCADLP CC(C)=CC[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001278878121 808418726 /nfs/dbraw/zinc/41/87/26/808418726.db2.gz JEQNAHRGNCLMFA-ZDUSSCGKSA-N 2 2 294.399 0.670 20 0 CCADLP CCOC(=O)N1CC[C@@H](n2cc[nH+]c2CC[NH3+])C1 ZINC001256014075 808448824 /nfs/dbraw/zinc/44/88/24/808448824.db2.gz JPPRPULXZHABEJ-SNVBAGLBSA-N 2 2 252.318 0.788 20 0 CCADLP CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256081695 808470019 /nfs/dbraw/zinc/47/00/19/808470019.db2.gz KQWWFZGYUMVSSL-GFCCVEGCSA-N 2 2 251.374 0.824 20 0 CCADLP CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256081695 808470023 /nfs/dbraw/zinc/47/00/23/808470023.db2.gz KQWWFZGYUMVSSL-GFCCVEGCSA-N 2 2 251.374 0.824 20 0 CCADLP C[NH+]1CCC([NH2+][C@@H](Cc2ccc(O)cc2)C(N)=O)CC1 ZINC001256195290 808476031 /nfs/dbraw/zinc/47/60/31/808476031.db2.gz JIKKALAQSSHQEP-AWEZNQCLSA-N 2 2 277.368 0.472 20 0 CCADLP COCCn1cncc1C[NH2+]C1CC[NH+](C)CC1 ZINC001256196535 808476404 /nfs/dbraw/zinc/47/64/04/808476404.db2.gz QHTJDDWIXVOARP-UHFFFAOYSA-N 2 2 252.362 0.713 20 0 CCADLP COCC(=O)N[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001256208523 808479238 /nfs/dbraw/zinc/47/92/38/808479238.db2.gz BECCEQMKXYKCIM-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP COCC(=O)N[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001256208523 808479242 /nfs/dbraw/zinc/47/92/42/808479242.db2.gz BECCEQMKXYKCIM-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](N3CCOCC3)C2)CC1 ZINC001256207812 808480081 /nfs/dbraw/zinc/48/00/81/808480081.db2.gz UIOBHGFVPLRJRB-AWEZNQCLSA-N 2 2 253.390 0.487 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](N3CCOCC3)C2)CC1 ZINC001256207812 808480088 /nfs/dbraw/zinc/48/00/88/808480088.db2.gz UIOBHGFVPLRJRB-AWEZNQCLSA-N 2 2 253.390 0.487 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCCN(C2CC[NH+](C)CC2)C1 ZINC001256209091 808481563 /nfs/dbraw/zinc/48/15/63/808481563.db2.gz LDRVGJZYQVJUDB-CYBMUJFWSA-N 2 2 282.432 0.223 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@H](C)CC(=O)N2CCOCC2)C1 ZINC001256321099 808493501 /nfs/dbraw/zinc/49/35/01/808493501.db2.gz DQHPNSZFBKCTEO-ZIAGYGMSSA-N 2 2 283.416 0.696 20 0 CCADLP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H](C)CC(=O)N2CCOCC2)C1 ZINC001256321099 808493502 /nfs/dbraw/zinc/49/35/02/808493502.db2.gz DQHPNSZFBKCTEO-ZIAGYGMSSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@@H](CO)C(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC001256529133 808532269 /nfs/dbraw/zinc/53/22/69/808532269.db2.gz QVGYWFMWCMNCKB-YUELXQCFSA-N 2 2 291.395 0.475 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@@H](CO)C(N)=O)CC[N@H+]1Cc1ccccc1 ZINC001256529133 808532274 /nfs/dbraw/zinc/53/22/74/808532274.db2.gz QVGYWFMWCMNCKB-YUELXQCFSA-N 2 2 291.395 0.475 20 0 CCADLP C[C@H](Cc1ccncc1)NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001256722215 808554213 /nfs/dbraw/zinc/55/42/13/808554213.db2.gz HUCOOSWRTTWLEZ-GFCCVEGCSA-N 2 2 261.373 0.784 20 0 CCADLP C[C@@H](Cc1ccncc1)NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001256722216 808554276 /nfs/dbraw/zinc/55/42/76/808554276.db2.gz HUCOOSWRTTWLEZ-LBPRGKRZSA-N 2 2 261.373 0.784 20 0 CCADLP CCOC(=O)CC[C@H](C)[NH2+][C@H](CCC[NH3+])C(=O)OC ZINC001258477128 808686722 /nfs/dbraw/zinc/68/67/22/808686722.db2.gz BJPOTMXTJQQXHD-WDEREUQCSA-N 2 2 274.361 0.588 20 0 CCADLP CCC[NH+]1CCC([NH2+]CC(=O)NCC(=O)OCC)CC1 ZINC001258766478 808700422 /nfs/dbraw/zinc/70/04/22/808700422.db2.gz VKPXDGOKFWAPJW-UHFFFAOYSA-N 2 2 285.388 0.130 20 0 CCADLP Cn1c[nH+]cc1CCC[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC001261544243 809014266 /nfs/dbraw/zinc/01/42/66/809014266.db2.gz LXHOVCWGYXBAOZ-UHFFFAOYSA-N 2 2 291.355 0.027 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1cc[nH+]c(N)n1 ZINC001262701079 809399853 /nfs/dbraw/zinc/39/98/53/809399853.db2.gz AMCPREXYMZWJFN-ZJUUUORDSA-N 2 2 251.334 0.580 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1cc[nH+]c(N)n1 ZINC001262701079 809399856 /nfs/dbraw/zinc/39/98/56/809399856.db2.gz AMCPREXYMZWJFN-ZJUUUORDSA-N 2 2 251.334 0.580 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)Cn1cc[nH+]c1 ZINC001263095925 809442020 /nfs/dbraw/zinc/44/20/20/809442020.db2.gz AOIISEVJETYGQT-WUHRBBMRSA-N 2 2 262.357 0.776 20 0 CCADLP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCc3[nH]cc[nH+]3)[C@H]2C1 ZINC001263995622 809619734 /nfs/dbraw/zinc/61/97/34/809619734.db2.gz HWCQRZKQKWPWIK-SRVKXCTJSA-N 2 2 262.357 0.799 20 0 CCADLP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCc3[nH]cc[nH+]3)[C@H]2C1 ZINC001263995622 809619735 /nfs/dbraw/zinc/61/97/35/809619735.db2.gz HWCQRZKQKWPWIK-SRVKXCTJSA-N 2 2 262.357 0.799 20 0 CCADLP COC[C@H](C)[N@H+](C)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001265041413 809699091 /nfs/dbraw/zinc/69/90/91/809699091.db2.gz XYJXKXPQIRAPOH-NSHDSACASA-N 2 2 268.361 0.425 20 0 CCADLP COC[C@H](C)[N@@H+](C)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001265041413 809699092 /nfs/dbraw/zinc/69/90/92/809699092.db2.gz XYJXKXPQIRAPOH-NSHDSACASA-N 2 2 268.361 0.425 20 0 CCADLP C[NH+]1CCN(C2CN(Cc3cccc(N)[nH+]3)C2)CC1 ZINC000700212914 809731342 /nfs/dbraw/zinc/73/13/42/809731342.db2.gz VVEJJTXRSQNNLU-UHFFFAOYSA-N 2 2 261.373 0.095 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N1CC[C@H]([NH2+]CCCO)C1 ZINC001265437193 809779228 /nfs/dbraw/zinc/77/92/28/809779228.db2.gz WUAJHZOSOWVHHY-ZDUSSCGKSA-N 2 2 293.367 0.206 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CCCC[C@@H]1C[NH2+]CCO ZINC001265671892 809823793 /nfs/dbraw/zinc/82/37/93/809823793.db2.gz PZQASXKFUWJCLB-CYBMUJFWSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CCCC[C@@H]1C[NH2+]CCO ZINC001265671892 809823798 /nfs/dbraw/zinc/82/37/98/809823798.db2.gz PZQASXKFUWJCLB-CYBMUJFWSA-N 2 2 280.372 0.305 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001265923197 809894435 /nfs/dbraw/zinc/89/44/35/809894435.db2.gz KITFSVWOFOMZTG-LBPRGKRZSA-N 2 2 266.345 0.110 20 0 CCADLP CNC(=O)[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702624951 809932587 /nfs/dbraw/zinc/93/25/87/809932587.db2.gz MFQGQINVLVYTLO-XJKSGUPXSA-N 2 2 291.395 0.348 20 0 CCADLP CNC(=O)[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702624951 809932590 /nfs/dbraw/zinc/93/25/90/809932590.db2.gz MFQGQINVLVYTLO-XJKSGUPXSA-N 2 2 291.395 0.348 20 0 CCADLP C[C@H](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CCCO ZINC001266155505 809950759 /nfs/dbraw/zinc/95/07/59/809950759.db2.gz OLMQCARYHPERSV-CHWSQXEVSA-N 2 2 294.399 0.312 20 0 CCADLP C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]CCCO ZINC001279139061 809971146 /nfs/dbraw/zinc/97/11/46/809971146.db2.gz UVKNQGYZKAJSDH-UONOGXRCSA-N 2 2 294.399 0.340 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@H+]1CCCF ZINC001267283156 811093186 /nfs/dbraw/zinc/09/31/86/811093186.db2.gz JBVNQUJWMMATLF-GFCCVEGCSA-N 2 2 268.336 0.823 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@@H+]1CCCF ZINC001267283156 811093197 /nfs/dbraw/zinc/09/31/97/811093197.db2.gz JBVNQUJWMMATLF-GFCCVEGCSA-N 2 2 268.336 0.823 20 0 CCADLP Cc1ncc(C[NH3+])c(=N)n1-c1cccn2c[nH+]cc12 ZINC001167675966 811230242 /nfs/dbraw/zinc/23/02/42/811230242.db2.gz UNUYIVWEIYHNTN-UHFFFAOYSA-N 2 2 254.297 0.767 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cnon1 ZINC001267379340 811241694 /nfs/dbraw/zinc/24/16/94/811241694.db2.gz BAGREKZQDZEXJP-ZDUSSCGKSA-N 2 2 295.387 0.492 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cnon1 ZINC001267379340 811241697 /nfs/dbraw/zinc/24/16/97/811241697.db2.gz BAGREKZQDZEXJP-ZDUSSCGKSA-N 2 2 295.387 0.492 20 0 CCADLP CN(CC[NH2+]CC1CC1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001267394153 811282744 /nfs/dbraw/zinc/28/27/44/811282744.db2.gz BOONRCGXCMJCEM-CYBMUJFWSA-N 2 2 276.384 0.904 20 0 CCADLP OC[C@H](C[C@H]1CCCO1)[NH2+][C@@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000926868512 811608825 /nfs/dbraw/zinc/60/88/25/811608825.db2.gz PNLBATXAFMWBQF-IGQOVBAYSA-N 2 2 254.374 0.600 20 0 CCADLP OC[C@H](C[C@H]1CCCO1)[NH2+][C@@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000926868512 811608830 /nfs/dbraw/zinc/60/88/30/811608830.db2.gz PNLBATXAFMWBQF-IGQOVBAYSA-N 2 2 254.374 0.600 20 0 CCADLP CC(C)C[NH2+]C[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001268009575 811947150 /nfs/dbraw/zinc/94/71/50/811947150.db2.gz VZJUGWNFAVCWDD-NSHDSACASA-N 2 2 252.362 0.950 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000925829665 812348342 /nfs/dbraw/zinc/34/83/42/812348342.db2.gz FRPYCWOCPGDIOK-SEBNEYGDSA-N 2 2 266.385 0.934 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001268318685 812481812 /nfs/dbraw/zinc/48/18/12/812481812.db2.gz WDZODLRVOJLZQW-LLVKDONJSA-N 2 2 269.389 0.306 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001268318685 812481814 /nfs/dbraw/zinc/48/18/14/812481814.db2.gz WDZODLRVOJLZQW-LLVKDONJSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@H](CC[NH2+]CCCO)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001268377683 812531496 /nfs/dbraw/zinc/53/14/96/812531496.db2.gz MFSJNEYGTFVJRS-OLZOCXBDSA-N 2 2 294.399 0.312 20 0 CCADLP COc1ncccc1-c1noc([C@H]2C[NH2+]C[C@@H]2[NH3+])n1 ZINC001211755470 812670036 /nfs/dbraw/zinc/67/00/36/812670036.db2.gz OJQOBAJKKBNUPB-IUCAKERBSA-N 2 2 261.285 0.154 20 0 CCADLP Cn1ncc2cc(-c3noc([C@H]4C[NH2+]C[C@@H]4[NH3+])n3)ccc21 ZINC001211755523 812670959 /nfs/dbraw/zinc/67/09/59/812670959.db2.gz RCYNZECOZAPBIT-QWRGUYRKSA-N 2 2 284.323 0.637 20 0 CCADLP COc1cccc(-c2noc([C@H]3C[NH2+]C[C@@H]3[NH3+])n2)c1OC ZINC001211755555 812671330 /nfs/dbraw/zinc/67/13/30/812671330.db2.gz SIQWKWWHVWWKLO-UWVGGRQHSA-N 2 2 290.323 0.768 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1C[NH+](CCOCC2CC2)C1 ZINC001268916908 813146817 /nfs/dbraw/zinc/14/68/17/813146817.db2.gz HIDHDLYLMJUAGC-UHFFFAOYSA-N 2 2 292.383 0.358 20 0 CCADLP CC[NH2+]C1(CNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001269530656 813405850 /nfs/dbraw/zinc/40/58/50/813405850.db2.gz UATHLWBQXGBBKH-UHFFFAOYSA-N 2 2 250.346 0.611 20 0 CCADLP COCC[NH2+]CC1(NC(=O)Cc2[nH]c[nH+]c2C)CCCC1 ZINC001269588091 813434558 /nfs/dbraw/zinc/43/45/58/813434558.db2.gz KOVCUNMOKNYXST-UHFFFAOYSA-N 2 2 294.399 0.926 20 0 CCADLP C[C@H](O)C[NH2+]CC[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001269785470 813510101 /nfs/dbraw/zinc/51/01/01/813510101.db2.gz NNLIMQKDFGWEHU-STQMWFEESA-N 2 2 294.399 0.551 20 0 CCADLP CCOC1CC(C[NH2+]CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001126437015 813585764 /nfs/dbraw/zinc/58/57/64/813585764.db2.gz RHHCVIHEIWHUGV-UHFFFAOYSA-N 2 2 294.399 0.863 20 0 CCADLP COCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001038424725 813826047 /nfs/dbraw/zinc/82/60/47/813826047.db2.gz VMFVHWRJYDQPHI-JSGCOSHPSA-N 2 2 292.383 0.282 20 0 CCADLP COCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001038424725 813826057 /nfs/dbraw/zinc/82/60/57/813826057.db2.gz VMFVHWRJYDQPHI-JSGCOSHPSA-N 2 2 292.383 0.282 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001270618436 813842152 /nfs/dbraw/zinc/84/21/52/813842152.db2.gz ZBFHJLRANAJIKQ-XQQFMLRXSA-N 2 2 251.374 0.776 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001270618436 813842163 /nfs/dbraw/zinc/84/21/63/813842163.db2.gz ZBFHJLRANAJIKQ-XQQFMLRXSA-N 2 2 251.374 0.776 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001270618436 813842170 /nfs/dbraw/zinc/84/21/70/813842170.db2.gz ZBFHJLRANAJIKQ-XQQFMLRXSA-N 2 2 251.374 0.776 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001270618436 813842183 /nfs/dbraw/zinc/84/21/83/813842183.db2.gz ZBFHJLRANAJIKQ-XQQFMLRXSA-N 2 2 251.374 0.776 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+]C[C@@H]1CCOC1 ZINC001167977759 813881261 /nfs/dbraw/zinc/88/12/61/813881261.db2.gz IZTRLVMOODRNME-OLZOCXBDSA-N 2 2 294.399 0.721 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+]C[C@@H]1CCOC1 ZINC001167977759 813881267 /nfs/dbraw/zinc/88/12/67/813881267.db2.gz IZTRLVMOODRNME-OLZOCXBDSA-N 2 2 294.399 0.721 20 0 CCADLP C[C@@H](C[NH2+]CCF)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001270996501 814110368 /nfs/dbraw/zinc/11/03/68/814110368.db2.gz TVOWZYMIDXFNQY-HBNTYKKESA-N 2 2 268.336 0.919 20 0 CCADLP C[C@@H](C(=O)N1CC2(C1)C[NH+](Cc1cn[nH]c1)C2)[NH+](C)C ZINC001271146515 814209154 /nfs/dbraw/zinc/20/91/54/814209154.db2.gz FAOPJLSPKAVSQY-NSHDSACASA-N 2 2 277.372 0.004 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCF ZINC001029473443 814292990 /nfs/dbraw/zinc/29/29/90/814292990.db2.gz MOMFXDBJXWZCLH-MQYQWHSLSA-N 2 2 283.391 0.829 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCF ZINC001029473443 814292998 /nfs/dbraw/zinc/29/29/98/814292998.db2.gz MOMFXDBJXWZCLH-MQYQWHSLSA-N 2 2 283.391 0.829 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001029473443 814293006 /nfs/dbraw/zinc/29/30/06/814293006.db2.gz MOMFXDBJXWZCLH-MQYQWHSLSA-N 2 2 283.391 0.829 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001029473443 814293016 /nfs/dbraw/zinc/29/30/16/814293016.db2.gz MOMFXDBJXWZCLH-MQYQWHSLSA-N 2 2 283.391 0.829 20 0 CCADLP c1cnc(N2CC[NH+](C[C@@H]3CCCC[NH2+]C3)CC2)nc1 ZINC000696999620 814557223 /nfs/dbraw/zinc/55/72/23/814557223.db2.gz NILRKLSGGHAWQR-CQSZACIVSA-N 2 2 275.400 0.988 20 0 CCADLP C[C@@H]1C[C@H](n2c[nH+]cc2CCNC(=O)CC[NH3+])CCO1 ZINC001168091043 814628431 /nfs/dbraw/zinc/62/84/31/814628431.db2.gz IRCDIYJCBWJCID-VXGBXAGGSA-N 2 2 280.372 0.631 20 0 CCADLP CC[C@@H](C)C[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001030180564 815871772 /nfs/dbraw/zinc/87/17/72/815871772.db2.gz SCEMRAZQHFOOJB-YPMHNXCESA-N 2 2 269.389 0.164 20 0 CCADLP CC[C@@H](C)C[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001030180564 815871778 /nfs/dbraw/zinc/87/17/78/815871778.db2.gz SCEMRAZQHFOOJB-YPMHNXCESA-N 2 2 269.389 0.164 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001030323359 815976484 /nfs/dbraw/zinc/97/64/84/815976484.db2.gz LCLVCGXROOFUAP-FZMZJTMJSA-N 2 2 281.400 0.164 20 0 CCADLP CC[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001030432539 816036220 /nfs/dbraw/zinc/03/62/20/816036220.db2.gz JWSRBNDJUGBHAD-GFCCVEGCSA-N 2 2 253.390 0.785 20 0 CCADLP CC[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001030432539 816036227 /nfs/dbraw/zinc/03/62/27/816036227.db2.gz JWSRBNDJUGBHAD-GFCCVEGCSA-N 2 2 253.390 0.785 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001030513653 816078633 /nfs/dbraw/zinc/07/86/33/816078633.db2.gz PJPKUAVRNFXZDU-CYBMUJFWSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H](O)C[NH+]1CC(NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001030513664 816078663 /nfs/dbraw/zinc/07/86/63/816078663.db2.gz PVGCIRVNIHGWQO-LBPRGKRZSA-N 2 2 281.400 0.044 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CC[C@H]2CCCO2)C1 ZINC001030532469 816089315 /nfs/dbraw/zinc/08/93/15/816089315.db2.gz QBPZTIUTHFGZJS-HUUCEWRRSA-N 2 2 295.427 0.840 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001030594833 816132329 /nfs/dbraw/zinc/13/23/29/816132329.db2.gz RIEVATVMHSPVSW-UKRRQHHQSA-N 2 2 297.443 0.942 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001030594833 816132331 /nfs/dbraw/zinc/13/23/31/816132331.db2.gz RIEVATVMHSPVSW-UKRRQHHQSA-N 2 2 297.443 0.942 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001030607000 816142342 /nfs/dbraw/zinc/14/23/42/816142342.db2.gz ATTJXCSJVRPTSA-LBPRGKRZSA-N 2 2 281.400 0.450 20 0 CCADLP O=C(C[NH2+]C[C@@H](O)C[NH+]1CCCC1)NC1CCCC1 ZINC001120573819 816143446 /nfs/dbraw/zinc/14/34/46/816143446.db2.gz IQBDCPXWZIPPNK-CYBMUJFWSA-N 2 2 269.389 0.092 20 0 CCADLP O=C(NC1C[NH+](CCCO)C1)c1ccn2c[nH+]cc2c1 ZINC001030618241 816151767 /nfs/dbraw/zinc/15/17/67/816151767.db2.gz BVCVRYPMXLEWMM-UHFFFAOYSA-N 2 2 274.324 0.131 20 0 CCADLP Cc1[nH]c(CN2CC([N@@H+](C)[C@H]3CCOC3)C2)c[nH+]1 ZINC001232463799 816156759 /nfs/dbraw/zinc/15/67/59/816156759.db2.gz NWICANLMCBFKRJ-LBPRGKRZSA-N 2 2 250.346 0.623 20 0 CCADLP Cc1[nH]c(CN2CC([N@H+](C)[C@H]3CCOC3)C2)c[nH+]1 ZINC001232463799 816156764 /nfs/dbraw/zinc/15/67/64/816156764.db2.gz NWICANLMCBFKRJ-LBPRGKRZSA-N 2 2 250.346 0.623 20 0 CCADLP Cc1[nH]cc(CN2CC([N@@H+](C)[C@H]3CCOC3)C2)[nH+]1 ZINC001232463799 816156768 /nfs/dbraw/zinc/15/67/68/816156768.db2.gz NWICANLMCBFKRJ-LBPRGKRZSA-N 2 2 250.346 0.623 20 0 CCADLP Cc1[nH]cc(CN2CC([N@H+](C)[C@H]3CCOC3)C2)[nH+]1 ZINC001232463799 816156770 /nfs/dbraw/zinc/15/67/70/816156770.db2.gz NWICANLMCBFKRJ-LBPRGKRZSA-N 2 2 250.346 0.623 20 0 CCADLP C[C@H]1CC[C@H](C[NH+]2CC(NC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC001030892001 816401419 /nfs/dbraw/zinc/40/14/19/816401419.db2.gz YKPJWKXRGVQHPU-SWLSCSKDSA-N 2 2 295.427 0.696 20 0 CCADLP CCC[N@@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001272457650 816445531 /nfs/dbraw/zinc/44/55/31/816445531.db2.gz VJTABZPCYFVDFE-HNNXBMFYSA-N 2 2 292.383 0.596 20 0 CCADLP CCC[N@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001272457650 816445533 /nfs/dbraw/zinc/44/55/33/816445533.db2.gz VJTABZPCYFVDFE-HNNXBMFYSA-N 2 2 292.383 0.596 20 0 CCADLP C[C@@H]1[NH2+]CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC001122017438 816538186 /nfs/dbraw/zinc/53/81/86/816538186.db2.gz MRLMTESGZCWPSO-SDDRHHMPSA-N 2 2 262.357 0.654 20 0 CCADLP CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)[C@@H]1CC[NH2+]C1 ZINC001122134747 816592584 /nfs/dbraw/zinc/59/25/84/816592584.db2.gz YCVLWBQHFIZWSY-ZYHUDNBSSA-N 2 2 250.346 0.799 20 0 CCADLP CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)[C@@H]1CC[NH2+]C1 ZINC001122134747 816592589 /nfs/dbraw/zinc/59/25/89/816592589.db2.gz YCVLWBQHFIZWSY-ZYHUDNBSSA-N 2 2 250.346 0.799 20 0 CCADLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+](CCCC[NH3+])C2)C1 ZINC001235485614 816883824 /nfs/dbraw/zinc/88/38/24/816883824.db2.gz KZYXLOYHAZDBHZ-MRXNPFEDSA-N 3 2 299.459 0.786 20 0 CCADLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+](CCCC[NH3+])C2)C1 ZINC001235485614 816883831 /nfs/dbraw/zinc/88/38/31/816883831.db2.gz KZYXLOYHAZDBHZ-MRXNPFEDSA-N 3 2 299.459 0.786 20 0 CCADLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+](CCCC[NH3+])C2)C1 ZINC001235485614 816883839 /nfs/dbraw/zinc/88/38/39/816883839.db2.gz KZYXLOYHAZDBHZ-MRXNPFEDSA-N 3 2 299.459 0.786 20 0 CCADLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+](CCCC[NH3+])C2)C1 ZINC001235485614 816883845 /nfs/dbraw/zinc/88/38/45/816883845.db2.gz KZYXLOYHAZDBHZ-MRXNPFEDSA-N 3 2 299.459 0.786 20 0 CCADLP Cn1c[nH+]cc1CN1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001031254034 816900626 /nfs/dbraw/zinc/90/06/26/816900626.db2.gz VCOVYPGBYOFUBS-LBPRGKRZSA-N 2 2 291.399 0.062 20 0 CCADLP Cn1c[nH+]cc1CN1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001031254034 816900631 /nfs/dbraw/zinc/90/06/31/816900631.db2.gz VCOVYPGBYOFUBS-LBPRGKRZSA-N 2 2 291.399 0.062 20 0 CCADLP COC(=O)[C@H]1C[N@H+](CC2CCSCC2)C[C@@H]1[NH3+] ZINC001236341940 817266461 /nfs/dbraw/zinc/26/64/61/817266461.db2.gz LZFIOTRIHAVNHL-QWRGUYRKSA-N 2 2 258.387 0.562 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](CC2CCSCC2)C[C@@H]1[NH3+] ZINC001236341940 817266468 /nfs/dbraw/zinc/26/64/68/817266468.db2.gz LZFIOTRIHAVNHL-QWRGUYRKSA-N 2 2 258.387 0.562 20 0 CCADLP C[C@@H](O)C[NH+]1CC(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001031844028 817412464 /nfs/dbraw/zinc/41/24/64/817412464.db2.gz UQDGHHPAJIYGRA-LLVKDONJSA-N 2 2 288.351 0.377 20 0 CCADLP C[NH+](C)CCn1cc(C(=O)NCC2C[NH+](CCF)C2)cn1 ZINC001032044708 817575696 /nfs/dbraw/zinc/57/56/96/817575696.db2.gz YMWYHAJAGJAKBB-UHFFFAOYSA-N 2 2 297.378 0.076 20 0 CCADLP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001077656509 817943547 /nfs/dbraw/zinc/94/35/47/817943547.db2.gz NCQKESHQRQUTSN-RAIGVLPGSA-N 2 2 292.383 0.399 20 0 CCADLP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001077656509 817943550 /nfs/dbraw/zinc/94/35/50/817943550.db2.gz NCQKESHQRQUTSN-RAIGVLPGSA-N 2 2 292.383 0.399 20 0 CCADLP O=C1[C@H]([N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)CCN1C1CCOCC1 ZINC000360542335 818440669 /nfs/dbraw/zinc/44/06/69/818440669.db2.gz CKDYIQQZGZMNGX-GDBMZVCRSA-N 2 2 293.411 0.452 20 0 CCADLP O=C1[C@H]([N@H+]2CC[C@@]3(CC[NH2+]C3)C2)CCN1C1CCOCC1 ZINC000360542335 818440672 /nfs/dbraw/zinc/44/06/72/818440672.db2.gz CKDYIQQZGZMNGX-GDBMZVCRSA-N 2 2 293.411 0.452 20 0 CCADLP C[C@H](CC[NH2+]CCF)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001273026755 818472030 /nfs/dbraw/zinc/47/20/30/818472030.db2.gz KSZKFUUJJJUFAF-IJLUTSLNSA-N 2 2 282.363 0.978 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cc(Cl)cc[n+]2[O-])CC1 ZINC001168735036 818533217 /nfs/dbraw/zinc/53/32/17/818533217.db2.gz GDKFKRJRMRYCPK-UHFFFAOYSA-N 2 2 269.736 0.567 20 0 CCADLP Cc1nc2ncc(NC(=[NH2+])N3CC[NH+](C)CC3)nc2s1 ZINC001168735577 818537665 /nfs/dbraw/zinc/53/76/65/818537665.db2.gz TVXBTRVSDMHGPH-UHFFFAOYSA-N 2 2 291.384 0.989 20 0 CCADLP CN(C)C(=O)c1cccnc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168736043 818540792 /nfs/dbraw/zinc/54/07/92/818540792.db2.gz IWEMIYGPBQGWBJ-UHFFFAOYSA-N 2 2 290.371 0.377 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2c(N)nccc2F)CC1 ZINC001168736105 818542369 /nfs/dbraw/zinc/54/23/69/818542369.db2.gz KFUBDBSTFBDCLQ-UHFFFAOYSA-N 2 2 252.297 0.397 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2nccc3c2CCN3)CC1 ZINC001168736123 818542969 /nfs/dbraw/zinc/54/29/69/818542969.db2.gz ZBHKMLOCQILSGV-UHFFFAOYSA-N 2 2 260.345 0.644 20 0 CCADLP COC(=O)c1ccc(N)c(NC(=[NH2+])N2CC[NH+](C)CC2)c1 ZINC001168736777 818552294 /nfs/dbraw/zinc/55/22/94/818552294.db2.gz PEAYHUUQGKOESB-UHFFFAOYSA-N 2 2 291.355 0.649 20 0 CCADLP CC[NH+](CC)CC(=O)NCc1cnn2c1C[N@H+](CC)CC2 ZINC001128525211 818605264 /nfs/dbraw/zinc/60/52/64/818605264.db2.gz VOFFIDPQXUAHRQ-UHFFFAOYSA-N 2 2 293.415 0.677 20 0 CCADLP CC[NH+](CC)CC(=O)NCc1cnn2c1C[N@@H+](CC)CC2 ZINC001128525211 818605269 /nfs/dbraw/zinc/60/52/69/818605269.db2.gz VOFFIDPQXUAHRQ-UHFFFAOYSA-N 2 2 293.415 0.677 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCF)C2)O1 ZINC001033197378 818635453 /nfs/dbraw/zinc/63/54/53/818635453.db2.gz PLPRXXDSTRAHLN-JHJVBQTASA-N 2 2 287.379 0.208 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCF)C2)O1 ZINC001033197378 818635456 /nfs/dbraw/zinc/63/54/56/818635456.db2.gz PLPRXXDSTRAHLN-JHJVBQTASA-N 2 2 287.379 0.208 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@H+](CCF)C2)O1 ZINC001033197378 818635459 /nfs/dbraw/zinc/63/54/59/818635459.db2.gz PLPRXXDSTRAHLN-JHJVBQTASA-N 2 2 287.379 0.208 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](CCF)C2)O1 ZINC001033197378 818635462 /nfs/dbraw/zinc/63/54/62/818635462.db2.gz PLPRXXDSTRAHLN-JHJVBQTASA-N 2 2 287.379 0.208 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033452770 818783023 /nfs/dbraw/zinc/78/30/23/818783023.db2.gz OHOZILPSACGQLI-YPMHNXCESA-N 2 2 280.372 0.520 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033452770 818783034 /nfs/dbraw/zinc/78/30/34/818783034.db2.gz OHOZILPSACGQLI-YPMHNXCESA-N 2 2 280.372 0.520 20 0 CCADLP CN(C)C(=O)CN1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000700786619 818841010 /nfs/dbraw/zinc/84/10/10/818841010.db2.gz RZHHYTDJEFWONW-CQSZACIVSA-N 2 2 282.432 0.082 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001033592042 818841750 /nfs/dbraw/zinc/84/17/50/818841750.db2.gz XMHSCBLIYMPGGW-RYUDHWBXSA-N 2 2 294.399 0.601 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001033592042 818841753 /nfs/dbraw/zinc/84/17/53/818841753.db2.gz XMHSCBLIYMPGGW-RYUDHWBXSA-N 2 2 294.399 0.601 20 0 CCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033617522 818854667 /nfs/dbraw/zinc/85/46/67/818854667.db2.gz VILPLOMGIKXXMQ-NSHDSACASA-N 2 2 250.346 0.813 20 0 CCADLP CC[N@H+]1CC[C@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033617522 818854671 /nfs/dbraw/zinc/85/46/71/818854671.db2.gz VILPLOMGIKXXMQ-NSHDSACASA-N 2 2 250.346 0.813 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001033621395 818855793 /nfs/dbraw/zinc/85/57/93/818855793.db2.gz VCVULWZDNLZQBQ-PWSUYJOCSA-N 2 2 280.372 0.174 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001033621395 818855802 /nfs/dbraw/zinc/85/58/02/818855802.db2.gz VCVULWZDNLZQBQ-PWSUYJOCSA-N 2 2 280.372 0.174 20 0 CCADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001033788621 818934426 /nfs/dbraw/zinc/93/44/26/818934426.db2.gz INYBTPOLBVBNFF-CABCVRRESA-N 2 2 295.427 0.650 20 0 CCADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001033788621 818934434 /nfs/dbraw/zinc/93/44/34/818934434.db2.gz INYBTPOLBVBNFF-CABCVRRESA-N 2 2 295.427 0.650 20 0 CCADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+](CC2CC2)C1 ZINC001033788621 818934438 /nfs/dbraw/zinc/93/44/38/818934438.db2.gz INYBTPOLBVBNFF-CABCVRRESA-N 2 2 295.427 0.650 20 0 CCADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+](CC2CC2)C1 ZINC001033788621 818934443 /nfs/dbraw/zinc/93/44/43/818934443.db2.gz INYBTPOLBVBNFF-CABCVRRESA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH2+]CCNC(=O)CCc2c[nH]c[nH+]2)O1 ZINC001128967269 819238090 /nfs/dbraw/zinc/23/80/90/819238090.db2.gz IXVATMLQSHYWSI-YPMHNXCESA-N 2 2 280.372 0.616 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH2+]CCNC(=O)CCc2c[nH+]c[nH]2)O1 ZINC001128967269 819238098 /nfs/dbraw/zinc/23/80/98/819238098.db2.gz IXVATMLQSHYWSI-YPMHNXCESA-N 2 2 280.372 0.616 20 0 CCADLP Cc1ncccc1C[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128986359 819290775 /nfs/dbraw/zinc/29/07/75/819290775.db2.gz SYHYJDVMQTWGOT-UHFFFAOYSA-N 2 2 287.367 0.952 20 0 CCADLP Cc1ncccc1C[NH2+]CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001128986359 819290778 /nfs/dbraw/zinc/29/07/78/819290778.db2.gz SYHYJDVMQTWGOT-UHFFFAOYSA-N 2 2 287.367 0.952 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]1C[NH2+]C[C@@H]1CCOC1 ZINC001035086416 819390961 /nfs/dbraw/zinc/39/09/61/819390961.db2.gz NVJWRHMZAZCJPZ-QWHCGFSZSA-N 2 2 292.383 0.569 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710650308 819860077 /nfs/dbraw/zinc/86/00/77/819860077.db2.gz UVWCAQUQLKZVJJ-UHFFFAOYSA-N 3 2 266.389 0.580 20 0 CCADLP CO[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082326691 820940504 /nfs/dbraw/zinc/94/05/04/820940504.db2.gz NPMIYFVGZZRKNN-YNEHKIRRSA-N 2 2 287.379 0.113 20 0 CCADLP CO[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082326691 820940510 /nfs/dbraw/zinc/94/05/10/820940510.db2.gz NPMIYFVGZZRKNN-YNEHKIRRSA-N 2 2 287.379 0.113 20 0 CCADLP CO[C@@H]1C[NH+](CCF)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001082326691 820940518 /nfs/dbraw/zinc/94/05/18/820940518.db2.gz NPMIYFVGZZRKNN-YNEHKIRRSA-N 2 2 287.379 0.113 20 0 CCADLP CO[C@@H]1C[NH+](CCF)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001082326691 820940526 /nfs/dbraw/zinc/94/05/26/820940526.db2.gz NPMIYFVGZZRKNN-YNEHKIRRSA-N 2 2 287.379 0.113 20 0 CCADLP CO[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082326690 820940665 /nfs/dbraw/zinc/94/06/65/820940665.db2.gz NPMIYFVGZZRKNN-JHJVBQTASA-N 2 2 287.379 0.113 20 0 CCADLP CO[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082326690 820940671 /nfs/dbraw/zinc/94/06/71/820940671.db2.gz NPMIYFVGZZRKNN-JHJVBQTASA-N 2 2 287.379 0.113 20 0 CCADLP CO[C@@H]1C[NH+](CCF)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001082326690 820940677 /nfs/dbraw/zinc/94/06/77/820940677.db2.gz NPMIYFVGZZRKNN-JHJVBQTASA-N 2 2 287.379 0.113 20 0 CCADLP CO[C@@H]1C[NH+](CCF)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001082326690 820940683 /nfs/dbraw/zinc/94/06/83/820940683.db2.gz NPMIYFVGZZRKNN-JHJVBQTASA-N 2 2 287.379 0.113 20 0 CCADLP Cc1conc1C[NH2+]CC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001273213076 821170144 /nfs/dbraw/zinc/17/01/44/821170144.db2.gz YTYJSCQULQTBSY-GFCCVEGCSA-N 2 2 291.355 0.864 20 0 CCADLP CC(C)=CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084057637 821190168 /nfs/dbraw/zinc/19/01/68/821190168.db2.gz UTOWIWZPARLTOT-KGLIPLIRSA-N 2 2 281.400 0.210 20 0 CCADLP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001084057637 821190176 /nfs/dbraw/zinc/19/01/76/821190176.db2.gz UTOWIWZPARLTOT-KGLIPLIRSA-N 2 2 281.400 0.210 20 0 CCADLP COC(=O)[C@@H](O)C[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC000716166763 821548323 /nfs/dbraw/zinc/54/83/23/821548323.db2.gz GJKWPDZXTMLPAU-AWEZNQCLSA-N 2 2 278.352 0.242 20 0 CCADLP CN(C[C@H]1CC[N@@H+]1CCO)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001085639582 821868254 /nfs/dbraw/zinc/86/82/54/821868254.db2.gz ROIXNKQSISTNRP-OLZOCXBDSA-N 2 2 292.383 0.286 20 0 CCADLP CN(C[C@H]1CC[N@H+]1CCO)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001085639582 821868259 /nfs/dbraw/zinc/86/82/59/821868259.db2.gz ROIXNKQSISTNRP-OLZOCXBDSA-N 2 2 292.383 0.286 20 0 CCADLP O=C(C[NH+]1CCC1)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc[nH]1 ZINC001273362435 821955059 /nfs/dbraw/zinc/95/50/59/821955059.db2.gz ALBMFZKIFIALGC-GJZGRUSLSA-N 2 2 288.395 0.896 20 0 CCADLP O=C(C[NH+]1CCC1)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc[nH]1 ZINC001273362435 821955068 /nfs/dbraw/zinc/95/50/68/821955068.db2.gz ALBMFZKIFIALGC-GJZGRUSLSA-N 2 2 288.395 0.896 20 0 CCADLP O=C(NC[C@H]1C[C@@H]([NH2+]CCF)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001086124536 822121334 /nfs/dbraw/zinc/12/13/34/822121334.db2.gz VDGFYOKKSUXFSA-RWMBFGLXSA-N 2 2 294.374 0.899 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@](C)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001108243894 822124584 /nfs/dbraw/zinc/12/45/84/822124584.db2.gz BWHVNJYAFXISBK-OAHLLOKOSA-N 2 2 294.399 0.815 20 0 CCADLP CC(C)C[N@H+]1CCO[C@](C)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001108243894 822124588 /nfs/dbraw/zinc/12/45/88/822124588.db2.gz BWHVNJYAFXISBK-OAHLLOKOSA-N 2 2 294.399 0.815 20 0 CCADLP CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001086408950 822242544 /nfs/dbraw/zinc/24/25/44/822242544.db2.gz ZZHRXLCMVJNBRX-AVGNSLFASA-N 2 2 276.384 0.950 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)C[N@H+](C)C2CCC2)[nH]1 ZINC001129531590 837519722 /nfs/dbraw/zinc/51/97/22/837519722.db2.gz ANTKIUIGSRGLSZ-SNVBAGLBSA-N 2 2 294.403 0.364 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)C[N@@H+](C)C2CCC2)[nH]1 ZINC001129531590 837519726 /nfs/dbraw/zinc/51/97/26/837519726.db2.gz ANTKIUIGSRGLSZ-SNVBAGLBSA-N 2 2 294.403 0.364 20 0 CCADLP O=C(NCC[NH2+]C[C@H]1CCOC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129892903 837580133 /nfs/dbraw/zinc/58/01/33/837580133.db2.gz DVFFZZMNUZYVSE-IJLUTSLNSA-N 2 2 278.356 0.256 20 0 CCADLP O=C(NCC[NH2+]C[C@H]1CCOC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129892903 837580138 /nfs/dbraw/zinc/58/01/38/837580138.db2.gz DVFFZZMNUZYVSE-IJLUTSLNSA-N 2 2 278.356 0.256 20 0 CCADLP O=C(NCC[NH2+]C[C@H]1CCCCO1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129892865 837577783 /nfs/dbraw/zinc/57/77/83/837577783.db2.gz COVOLWMVXPJLOS-JHJVBQTASA-N 2 2 292.383 0.788 20 0 CCADLP O=C(NCC[NH2+]C[C@H]1CCCCO1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129892865 837577793 /nfs/dbraw/zinc/57/77/93/837577793.db2.gz COVOLWMVXPJLOS-JHJVBQTASA-N 2 2 292.383 0.788 20 0 CCADLP CC[C@H](C(=O)NCC[NH2+]Cc1cnsn1)[NH+](C)C ZINC001130197058 837722539 /nfs/dbraw/zinc/72/25/39/837722539.db2.gz CLGWTXZCMGXYDL-SNVBAGLBSA-N 2 2 271.390 0.084 20 0 CCADLP CC[C@H](C(=O)NCC[NH2+]Cc1ncc(C)o1)[NH+](C)C ZINC001130198176 837722724 /nfs/dbraw/zinc/72/27/24/837722724.db2.gz YMUDUGVPHCKWDZ-LLVKDONJSA-N 2 2 268.361 0.529 20 0 CCADLP C[C@H](CCCC[NH2+]CCO)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170483965 837736588 /nfs/dbraw/zinc/73/65/88/837736588.db2.gz SDBQWRJLJGIIMX-GFCCVEGCSA-N 2 2 282.388 0.599 20 0 CCADLP Cn1cc(C[NH2+]CCNC(=O)c2cc3c[nH+]ccc3[nH]2)cn1 ZINC001130265853 837745365 /nfs/dbraw/zinc/74/53/65/837745365.db2.gz BKYJBZZXOOEVDF-UHFFFAOYSA-N 2 2 298.350 0.816 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ncccn1 ZINC001130300838 837758503 /nfs/dbraw/zinc/75/85/03/837758503.db2.gz WCFJQXVKRNTPOQ-OLZOCXBDSA-N 2 2 291.399 0.728 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C)c1ncccn1 ZINC001130300838 837758511 /nfs/dbraw/zinc/75/85/11/837758511.db2.gz WCFJQXVKRNTPOQ-OLZOCXBDSA-N 2 2 291.399 0.728 20 0 CCADLP CCOCC[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130406945 837785868 /nfs/dbraw/zinc/78/58/68/837785868.db2.gz IESJWMVNVRHFOV-GFCCVEGCSA-N 2 2 280.372 0.188 20 0 CCADLP CO[C@H](C)C[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130405115 837786897 /nfs/dbraw/zinc/78/68/97/837786897.db2.gz XNEUABWSZWQEKN-VXGBXAGGSA-N 2 2 280.372 0.186 20 0 CCADLP C[C@H](F)CC[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130484779 837807097 /nfs/dbraw/zinc/80/70/97/837807097.db2.gz VSSMADGPFYAPDY-RYUDHWBXSA-N 2 2 282.363 0.899 20 0 CCADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001183730245 844081872 /nfs/dbraw/zinc/08/18/72/844081872.db2.gz FQGYZTDVTYGJNL-QWHCGFSZSA-N 2 2 292.383 0.018 20 0 CCADLP CC[N@@H+]1CCO[C@](C)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001108438039 836104768 /nfs/dbraw/zinc/10/47/68/836104768.db2.gz UCCNWAXDKYDJFG-OAHLLOKOSA-N 2 2 294.399 0.890 20 0 CCADLP CC[N@H+]1CCO[C@](C)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001108438039 836104770 /nfs/dbraw/zinc/10/47/70/836104770.db2.gz UCCNWAXDKYDJFG-OAHLLOKOSA-N 2 2 294.399 0.890 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cncc(OC(F)F)n1 ZINC001169073138 836125373 /nfs/dbraw/zinc/12/53/73/836125373.db2.gz ZURQMXMNBJXKFB-SSDOTTSWSA-N 2 2 285.254 0.126 20 0 CCADLP COc1ccc2nccc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)c2n1 ZINC001169074589 836127295 /nfs/dbraw/zinc/12/72/95/836127295.db2.gz STUPOPLNLQEQTB-SNVBAGLBSA-N 2 2 299.334 0.686 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cccc2c1COC2 ZINC001169074740 836128998 /nfs/dbraw/zinc/12/89/98/836128998.db2.gz MDGRWOYSMFNXAF-LLVKDONJSA-N 2 2 259.309 0.765 20 0 CCADLP CO[C@H](C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1)C1CCC1 ZINC001169212072 836160289 /nfs/dbraw/zinc/16/02/89/836160289.db2.gz OHZPPTCMTBUUJG-CYBMUJFWSA-N 2 2 294.399 0.863 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]C[C@H]1CCCOC1 ZINC001169205239 836168843 /nfs/dbraw/zinc/16/88/43/836168843.db2.gz VUEMXOSREVCUJE-GFCCVEGCSA-N 2 2 280.372 0.475 20 0 CCADLP CC(=O)N1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCOCC3)C2)C1 ZINC001169587376 836384044 /nfs/dbraw/zinc/38/40/44/836384044.db2.gz DKQKEWCQHHWACE-CABCVRRESA-N 2 2 295.427 0.840 20 0 CCADLP CC(=O)N1CCC[C@@H]([NH2+][C@H]2CC[N@H+](C3CCOCC3)C2)C1 ZINC001169587376 836384059 /nfs/dbraw/zinc/38/40/59/836384059.db2.gz DKQKEWCQHHWACE-CABCVRRESA-N 2 2 295.427 0.840 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCO)C1 ZINC001112552455 836794430 /nfs/dbraw/zinc/79/44/30/836794430.db2.gz YXLMJJZDEMEFOH-WFASDCNBSA-N 2 2 292.383 0.163 20 0 CCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[NH+](CC)CC1 ZINC001112906956 836959542 /nfs/dbraw/zinc/95/95/42/836959542.db2.gz UPMNIWXMLLIRKA-GFCCVEGCSA-N 2 2 259.369 0.830 20 0 CCADLP C[C@H](O)CCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001113019275 837000295 /nfs/dbraw/zinc/00/02/95/837000295.db2.gz LVODNBJLOUXNKZ-GJZGRUSLSA-N 2 2 297.443 0.776 20 0 CCADLP C[C@H](O)CCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001113019275 837000306 /nfs/dbraw/zinc/00/03/06/837000306.db2.gz LVODNBJLOUXNKZ-GJZGRUSLSA-N 2 2 297.443 0.776 20 0 CCADLP CCc1cc(-n2cc(C[NH3+])cn2)nc(N2CCOCC2)[nH+]1 ZINC001157474194 837031976 /nfs/dbraw/zinc/03/19/76/837031976.db2.gz ACSQAMVRAGVHBC-UHFFFAOYSA-N 2 2 288.355 0.520 20 0 CCADLP Cn1c[nH+]cc1CN1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001113297515 837081410 /nfs/dbraw/zinc/08/14/10/837081410.db2.gz FSCHEOAKAIZARP-UHFFFAOYSA-N 2 2 279.388 0.016 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[NH+](CCC[C@H](C)O)CC1 ZINC001113634425 837182855 /nfs/dbraw/zinc/18/28/55/837182855.db2.gz CJDZDRCIZIUIEQ-ZDUSSCGKSA-N 2 2 294.399 0.497 20 0 CCADLP COC(=O)[C@@H](CCCC[NH3+])[NH2+][C@H]1CC[C@@H](C(=O)OC)C1 ZINC001170508175 837870536 /nfs/dbraw/zinc/87/05/36/837870536.db2.gz FVTDZKMQKUHISR-GRYCIOLGSA-N 2 2 286.372 0.588 20 0 CCADLP COc1cncnc1N1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158258919 838008870 /nfs/dbraw/zinc/00/88/70/838008870.db2.gz MAWXEQPVDBORJS-LLVKDONJSA-N 2 2 277.372 0.487 20 0 CCADLP COc1cncnc1N1CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158258919 838008874 /nfs/dbraw/zinc/00/88/74/838008874.db2.gz MAWXEQPVDBORJS-LLVKDONJSA-N 2 2 277.372 0.487 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]CCNC(=O)Cn2c[nH+]cc2C)n1 ZINC001131387308 838080898 /nfs/dbraw/zinc/08/08/98/838080898.db2.gz KLEWQKMVSFREDZ-SNVBAGLBSA-N 2 2 292.343 0.350 20 0 CCADLP Cc1cc(C)c(C(=O)NCC[NH2+]CCOCCO)c(C)[nH+]1 ZINC001131560360 838141990 /nfs/dbraw/zinc/14/19/90/838141990.db2.gz KGYGJONXIOFCTG-UHFFFAOYSA-N 2 2 295.383 0.335 20 0 CCADLP COCCOc1cc(N[C@H](C)[C@H]2C[NH2+]CCO2)cc[nH+]1 ZINC001170577146 838172683 /nfs/dbraw/zinc/17/26/83/838172683.db2.gz YGDWTRBNKJZXKE-DGCLKSJQSA-N 2 2 281.356 0.896 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]CCC[C@H]1CCOC1 ZINC001132081812 838313051 /nfs/dbraw/zinc/31/30/51/838313051.db2.gz DVQRLSIMMJWBBO-AWEZNQCLSA-N 2 2 294.399 0.796 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]Cc1cncc(F)c1 ZINC001132079868 838313076 /nfs/dbraw/zinc/31/30/76/838313076.db2.gz QIKOHFDNSCHENN-UHFFFAOYSA-N 2 2 291.330 0.713 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]CC1CCC1 ZINC001132082103 838313594 /nfs/dbraw/zinc/31/35/94/838313594.db2.gz JPDQNIQHVSDTBW-UHFFFAOYSA-N 2 2 250.346 0.779 20 0 CCADLP CCO[C@@H](C[NH2+]CCNC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001132081617 838313643 /nfs/dbraw/zinc/31/36/43/838313643.db2.gz COHUYVJZBIMEIL-AWEZNQCLSA-N 2 2 294.399 0.794 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@@H+]1CCCO ZINC001132090780 838315721 /nfs/dbraw/zinc/31/57/21/838315721.db2.gz MCLVTWKUCJJUAL-OCCSQVGLSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[N@H+]1CCCO ZINC001132090780 838315725 /nfs/dbraw/zinc/31/57/25/838315725.db2.gz MCLVTWKUCJJUAL-OCCSQVGLSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@@H+]1CCCO ZINC001132090780 838315729 /nfs/dbraw/zinc/31/57/29/838315729.db2.gz MCLVTWKUCJJUAL-OCCSQVGLSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C[N@H+]1CCCO ZINC001132090780 838315733 /nfs/dbraw/zinc/31/57/33/838315733.db2.gz MCLVTWKUCJJUAL-OCCSQVGLSA-N 2 2 294.399 0.694 20 0 CCADLP CCOCC[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132085396 838319183 /nfs/dbraw/zinc/31/91/83/838319183.db2.gz UFBHLJLFYZFGRW-UHFFFAOYSA-N 2 2 254.334 0.016 20 0 CCADLP COCCC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001132533019 838427680 /nfs/dbraw/zinc/42/76/80/838427680.db2.gz IUYOEQKRCBITKH-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP COCCC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001132533019 838427682 /nfs/dbraw/zinc/42/76/82/838427682.db2.gz IUYOEQKRCBITKH-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP CC(C)c1nnc(C[NH2+]CCNC(=O)CCC[NH+](C)C)o1 ZINC001133040401 838538990 /nfs/dbraw/zinc/53/89/90/838538990.db2.gz PGWOZROTRCMJRX-UHFFFAOYSA-N 2 2 297.403 0.741 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CCO)C1 ZINC001133272238 838586502 /nfs/dbraw/zinc/58/65/02/838586502.db2.gz WYMTYJVJJNPHRZ-DGCLKSJQSA-N 2 2 294.399 0.327 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)CC[NH+](C)C)c1csnn1 ZINC001133288509 838589564 /nfs/dbraw/zinc/58/95/64/838589564.db2.gz YPEUSFMHLOOAMJ-VIFPVBQESA-N 2 2 271.390 0.257 20 0 CCADLP CC[C@H](C(=O)NCC[NH2+]Cc1nc(C)no1)[NH+](CC)CC ZINC001133685663 838696139 /nfs/dbraw/zinc/69/61/39/838696139.db2.gz YVRFLJFGLUHEEK-GFCCVEGCSA-N 2 2 297.403 0.704 20 0 CCADLP CC[C@@H](C(=O)NCC[NH2+]Cc1ncccn1)[NH+](CC)CC ZINC001133684742 838696195 /nfs/dbraw/zinc/69/61/95/838696195.db2.gz MMFLYDHATCBINA-ZDUSSCGKSA-N 2 2 293.415 0.803 20 0 CCADLP CCc1noc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)n1 ZINC001133864178 838756501 /nfs/dbraw/zinc/75/65/01/838756501.db2.gz WLRXUWHEVDXNMH-MNOVXSKESA-N 2 2 295.387 0.036 20 0 CCADLP CCc1noc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)n1 ZINC001133864178 838756510 /nfs/dbraw/zinc/75/65/10/838756510.db2.gz WLRXUWHEVDXNMH-MNOVXSKESA-N 2 2 295.387 0.036 20 0 CCADLP Cc1nonc1C[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001133899818 838775892 /nfs/dbraw/zinc/77/58/92/838775892.db2.gz YUUTVYPSYYUZEC-UHFFFAOYSA-N 2 2 297.403 0.562 20 0 CCADLP Cc1nonc1C[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001133899818 838775904 /nfs/dbraw/zinc/77/59/04/838775904.db2.gz YUUTVYPSYYUZEC-UHFFFAOYSA-N 2 2 297.403 0.562 20 0 CCADLP CCc1noc([C@@H](C)[NH2+]CCNC(=O)[C@H](CC)[NH+](C)C)n1 ZINC001133968123 838797184 /nfs/dbraw/zinc/79/71/84/838797184.db2.gz OOLYMXXIOQAMIC-MNOVXSKESA-N 2 2 297.403 0.739 20 0 CCADLP CCc1noc([C@H](C)[NH2+]CCNC(=O)[C@H](CC)[NH+](C)C)n1 ZINC001133968124 838797803 /nfs/dbraw/zinc/79/78/03/838797803.db2.gz OOLYMXXIOQAMIC-QWRGUYRKSA-N 2 2 297.403 0.739 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)[C@H](CC)[NH+](C)C)o1 ZINC001133983102 838805617 /nfs/dbraw/zinc/80/56/17/838805617.db2.gz ZTMFWCZHULQMLK-JTQLQIEISA-N 2 2 283.376 0.178 20 0 CCADLP C[C@@H](F)CC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134049315 838844401 /nfs/dbraw/zinc/84/44/01/838844401.db2.gz BHANLKINRIDYHU-IJLUTSLNSA-N 2 2 282.363 0.978 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CC[C@@H]1CCCO1 ZINC001135080121 839156884 /nfs/dbraw/zinc/15/68/84/839156884.db2.gz LDFBEKFZARVJNC-OCCSQVGLSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]CC[C@@H]1CCCO1 ZINC001135080121 839156887 /nfs/dbraw/zinc/15/68/87/839156887.db2.gz LDFBEKFZARVJNC-OCCSQVGLSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C[NH2+]CCF ZINC001185380091 844406826 /nfs/dbraw/zinc/40/68/26/844406826.db2.gz IRQAQFDFDKYPFV-NEPJUHHUSA-N 2 2 282.363 0.996 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1C[NH2+]CCO ZINC001185502293 844425861 /nfs/dbraw/zinc/42/58/61/844425861.db2.gz LJEBHULTWILMTN-OLZOCXBDSA-N 2 2 294.399 0.029 20 0 CCADLP CC1CC[NH+](CC(=O)NCC[NH2+]Cc2ccon2)CC1 ZINC001135702934 839365450 /nfs/dbraw/zinc/36/54/50/839365450.db2.gz UWDBQBKVNZEPPC-UHFFFAOYSA-N 2 2 280.372 0.612 20 0 CCADLP CCOCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001135949240 839477320 /nfs/dbraw/zinc/47/73/20/839477320.db2.gz KBFJAWJVOCXODZ-OLZOCXBDSA-N 2 2 296.415 0.872 20 0 CCADLP [NH3+]CCC[C@@H]([NH3+])Nc1cc[nH+]c(N2CCCC2)n1 ZINC001170897434 839543542 /nfs/dbraw/zinc/54/35/42/839543542.db2.gz HQTPTKMAIQKAQS-JTQLQIEISA-N 3 2 250.350 0.512 20 0 CCADLP COC(=O)c1c[nH+]c(N[C@H]([NH3+])CCC[NH3+])c2ccn(C)c21 ZINC001170897970 839543598 /nfs/dbraw/zinc/54/35/98/839543598.db2.gz KNMQNFHIGBYPHQ-NSHDSACASA-N 3 2 291.355 0.796 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001245976045 839575284 /nfs/dbraw/zinc/57/52/84/839575284.db2.gz BEPJIOMBXOSWMZ-AVGNSLFASA-N 3 2 257.422 0.571 20 0 CCADLP COCC[N@@H+]1CCC[C@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001273508376 844450906 /nfs/dbraw/zinc/45/09/06/844450906.db2.gz IBKJVYJNJGLHPF-OAHLLOKOSA-N 2 2 292.383 0.596 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[N@@H+](CCC2CC2)C[C@@H]1O ZINC001090600976 839664879 /nfs/dbraw/zinc/66/48/79/839664879.db2.gz NOXKKXUMRIWOHM-KGLIPLIRSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[N@H+](CCC2CC2)C[C@@H]1O ZINC001090600976 839664883 /nfs/dbraw/zinc/66/48/83/839664883.db2.gz NOXKKXUMRIWOHM-KGLIPLIRSA-N 2 2 292.383 0.304 20 0 CCADLP C[NH+]1CCC([NH2+]C2CN(C3CC[NH2+]CC3)C2)CC1 ZINC001246216395 839686951 /nfs/dbraw/zinc/68/69/51/839686951.db2.gz ZHZBPFNCBDHACZ-UHFFFAOYSA-N 3 2 252.406 0.106 20 0 CCADLP Cc1n[nH]c(C)c1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000112839304 839700416 /nfs/dbraw/zinc/70/04/16/839700416.db2.gz WVRVTRHEJGMVTM-OLZOCXBDSA-N 2 2 264.373 0.979 20 0 CCADLP Cc1n[nH]c(C)c1C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000112839304 839700426 /nfs/dbraw/zinc/70/04/26/839700426.db2.gz WVRVTRHEJGMVTM-OLZOCXBDSA-N 2 2 264.373 0.979 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@@H](N[C@@H]2C[NH2+]CCC2(C)C)C[NH2+]1 ZINC001246333434 839800752 /nfs/dbraw/zinc/80/07/52/839800752.db2.gz VDTCTDLJQNKBNU-LALPHHSUSA-N 2 2 283.416 0.648 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[NH2+]C[C@H](C)C2)CN1 ZINC001246570575 840061018 /nfs/dbraw/zinc/06/10/18/840061018.db2.gz JPUPBWPQGUZBEX-XQQFMLRXSA-N 2 2 269.389 0.211 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CC[NH2+]C[C@H](C)C2)CN1 ZINC001246570575 840061022 /nfs/dbraw/zinc/06/10/22/840061022.db2.gz JPUPBWPQGUZBEX-XQQFMLRXSA-N 2 2 269.389 0.211 20 0 CCADLP Cc1nc(C[NH2+]CCCNC(=O)Cc2c[nH+]cn2C)co1 ZINC001171238985 840180958 /nfs/dbraw/zinc/18/09/58/840180958.db2.gz WCUAZCCSUIBEAK-UHFFFAOYSA-N 2 2 291.355 0.555 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]C[C@H]1CCOC1 ZINC001171244251 840186256 /nfs/dbraw/zinc/18/62/56/840186256.db2.gz KVSQQFAHEUYTRV-GFCCVEGCSA-N 2 2 280.372 0.095 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CC1CCC1 ZINC001149123177 840328023 /nfs/dbraw/zinc/32/80/23/840328023.db2.gz IJHXGDHAXKJNON-UHFFFAOYSA-N 2 2 250.346 0.767 20 0 CCADLP CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146772159 840362801 /nfs/dbraw/zinc/36/28/01/840362801.db2.gz RTNVQKOKZITLLP-STQMWFEESA-N 2 2 282.388 0.793 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC001147455998 840601131 /nfs/dbraw/zinc/60/11/31/840601131.db2.gz BHKUEXRAQVVYDV-VXGBXAGGSA-N 2 2 250.346 0.730 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC001147455998 840601138 /nfs/dbraw/zinc/60/11/38/840601138.db2.gz BHKUEXRAQVVYDV-VXGBXAGGSA-N 2 2 250.346 0.730 20 0 CCADLP CC[C@H](F)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186575801 844570141 /nfs/dbraw/zinc/57/01/41/844570141.db2.gz DBWQXFRTAKEZDR-WDEREUQCSA-N 2 2 268.336 0.891 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1csnn1 ZINC001148638512 840873864 /nfs/dbraw/zinc/87/38/64/840873864.db2.gz JMBADNPIQLSENC-UHFFFAOYSA-N 2 2 271.390 0.086 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1csnn1 ZINC001148638512 840873871 /nfs/dbraw/zinc/87/38/71/840873871.db2.gz JMBADNPIQLSENC-UHFFFAOYSA-N 2 2 271.390 0.086 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1nc(C(C)C)no1 ZINC001148638783 840874285 /nfs/dbraw/zinc/87/42/85/840874285.db2.gz RKPKYJNWLYKARF-UHFFFAOYSA-N 2 2 297.403 0.741 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1nc(C(C)C)no1 ZINC001148638783 840874290 /nfs/dbraw/zinc/87/42/90/840874290.db2.gz RKPKYJNWLYKARF-UHFFFAOYSA-N 2 2 297.403 0.741 20 0 CCADLP C[N@@H+]1CCCC[C@@]12CC(=O)N(CCn1cc[nH+]c1)C2 ZINC001273525835 844589856 /nfs/dbraw/zinc/58/98/56/844589856.db2.gz YWEACRQONWXMRI-AWEZNQCLSA-N 2 2 262.357 0.970 20 0 CCADLP C[N@H+]1CCCC[C@@]12CC(=O)N(CCn1cc[nH+]c1)C2 ZINC001273525835 844589860 /nfs/dbraw/zinc/58/98/60/844589860.db2.gz YWEACRQONWXMRI-AWEZNQCLSA-N 2 2 262.357 0.970 20 0 CCADLP CCN(CC[NH2+]C[C@H](C)O)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001273448965 840928470 /nfs/dbraw/zinc/92/84/70/840928470.db2.gz HKNMVABPWODJSX-ZDUSSCGKSA-N 2 2 296.415 0.746 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1OCC ZINC001087088346 840957626 /nfs/dbraw/zinc/95/76/26/840957626.db2.gz UQCDGNGOPIQBRX-DGCLKSJQSA-N 2 2 280.372 0.425 20 0 CCADLP [NH3+][C@@H]1COC[C@H]1[NH2+][C@H]1CCc2c(F)cccc2C1 ZINC001171399925 841170108 /nfs/dbraw/zinc/17/01/08/841170108.db2.gz ACWGWGFCFSUHEX-ZLKJLUDKSA-N 2 2 250.317 0.999 20 0 CCADLP [NH3+][C@@H]1COC[C@H]1[NH2+][C@@H]1CCc2c(F)cccc2C1 ZINC001171399924 841170165 /nfs/dbraw/zinc/17/01/65/841170165.db2.gz ACWGWGFCFSUHEX-LERXQTSPSA-N 2 2 250.317 0.999 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]2[C@@H](CC[N@H+]2CCF)C1 ZINC001036830677 841336551 /nfs/dbraw/zinc/33/65/51/841336551.db2.gz YXRAOCLCUAYWNF-WCQYABFASA-N 2 2 280.347 0.845 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCF)C1 ZINC001036830677 841336561 /nfs/dbraw/zinc/33/65/61/841336561.db2.gz YXRAOCLCUAYWNF-WCQYABFASA-N 2 2 280.347 0.845 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])N[C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172106504 841849707 /nfs/dbraw/zinc/84/97/07/841849707.db2.gz PPSUMAVJHLTITD-BTTYYORXSA-N 3 2 279.432 0.773 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172106504 841849713 /nfs/dbraw/zinc/84/97/13/841849713.db2.gz PPSUMAVJHLTITD-BTTYYORXSA-N 3 2 279.432 0.773 20 0 CCADLP C[NH+](C)CCC[N@H+](CCC[NH3+])[C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172153001 841865662 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846138077 /nfs/dbraw/zinc/13/80/77/846138077.db2.gz MGTGJLIJWNDMJQ-IACUBPJLSA-N 2 2 294.399 0.550 20 0 CCADLP CC[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001193601823 846138079 /nfs/dbraw/zinc/13/80/79/846138079.db2.gz MGTGJLIJWNDMJQ-IACUBPJLSA-N 2 2 294.399 0.550 20 0 CCADLP CO[C@@H](C)C[N@H+](C)[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193695388 846142129 /nfs/dbraw/zinc/14/21/29/846142129.db2.gz IBIWIJASSKMNNE-AAEUAGOBSA-N 2 2 294.399 0.828 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193695388 846142131 /nfs/dbraw/zinc/14/21/31/846142131.db2.gz IBIWIJASSKMNNE-AAEUAGOBSA-N 2 2 294.399 0.828 20 0 CCADLP COCCCC[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194460531 846296091 /nfs/dbraw/zinc/29/60/91/846296091.db2.gz PYMINERDPUPGTI-CQSZACIVSA-N 2 2 294.399 0.842 20 0 CCADLP COCCCC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194460531 846296105 /nfs/dbraw/zinc/29/61/05/846296105.db2.gz PYMINERDPUPGTI-CQSZACIVSA-N 2 2 294.399 0.842 20 0 CCADLP CN(C)c1ncc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)cn1 ZINC001205673945 846368703 /nfs/dbraw/zinc/36/87/03/846368703.db2.gz WIMAYTCOERNJQD-CQSZACIVSA-N 2 2 279.388 0.218 20 0 CCADLP CN(C)c1ncc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)cn1 ZINC001205673945 846368705 /nfs/dbraw/zinc/36/87/05/846368705.db2.gz WIMAYTCOERNJQD-CQSZACIVSA-N 2 2 279.388 0.218 20 0 CCADLP C[NH+](C)CCC[N@@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001273711423 846679201 /nfs/dbraw/zinc/67/92/01/846679201.db2.gz DBDCTROLLKAKCA-INIZCTEOSA-N 3 2 296.459 0.567 20 0 CCADLP C[NH+](C)CCC[N@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001273711423 846679209 /nfs/dbraw/zinc/67/92/09/846679209.db2.gz DBDCTROLLKAKCA-INIZCTEOSA-N 3 2 296.459 0.567 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ncccn2)C1 ZINC001198165220 847058427 /nfs/dbraw/zinc/05/84/27/847058427.db2.gz PDKGGIYMZBKXCY-OLZOCXBDSA-N 2 2 264.373 0.579 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ncccn2)C1 ZINC001198165220 847058434 /nfs/dbraw/zinc/05/84/34/847058434.db2.gz PDKGGIYMZBKXCY-OLZOCXBDSA-N 2 2 264.373 0.579 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](c2ncccn2)C1 ZINC001198165220 847058446 /nfs/dbraw/zinc/05/84/46/847058446.db2.gz PDKGGIYMZBKXCY-OLZOCXBDSA-N 2 2 264.373 0.579 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](c2ncccn2)C1 ZINC001198165220 847058454 /nfs/dbraw/zinc/05/84/54/847058454.db2.gz PDKGGIYMZBKXCY-OLZOCXBDSA-N 2 2 264.373 0.579 20 0 CCADLP CN1C[C@]2(CC1=O)COCC[N@@H+](C1CC[NH+](C)CC1)C2 ZINC001273829420 847617124 /nfs/dbraw/zinc/61/71/24/847617124.db2.gz CBBWLHNAKBDVRP-HNNXBMFYSA-N 2 2 281.400 0.261 20 0 CCADLP CN1C[C@]2(CC1=O)COCC[N@H+](C1CC[NH+](C)CC1)C2 ZINC001273829420 847617130 /nfs/dbraw/zinc/61/71/30/847617130.db2.gz CBBWLHNAKBDVRP-HNNXBMFYSA-N 2 2 281.400 0.261 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CCO[C@H]1CC1(F)F ZINC001153495924 848011730 /nfs/dbraw/zinc/01/17/30/848011730.db2.gz RABHHEIQTHHZON-JTQLQIEISA-N 2 2 288.298 0.013 20 0 CCADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@H](O)c1ccccc1Cl ZINC000717310829 848226380 /nfs/dbraw/zinc/22/63/80/848226380.db2.gz YBIXSQRGVHALQZ-GWCFXTLKSA-N 2 2 272.776 0.886 20 0 CCADLP C[C@H](C[NH2+]CCc1ccnn1C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001274938710 848599003 /nfs/dbraw/zinc/59/90/03/848599003.db2.gz RGAJZESGQACCHQ-LLVKDONJSA-N 2 2 290.371 0.023 20 0 CCADLP C[NH+](C)CCN1CCC2(C[NH+](Cc3cn[nH]c3)C2)C1 ZINC001275212674 848667537 /nfs/dbraw/zinc/66/75/37/848667537.db2.gz VIBZTIBUYMGXQI-UHFFFAOYSA-N 2 2 263.389 0.479 20 0 CCADLP CC[C@@H](F)C[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001275468217 848728464 /nfs/dbraw/zinc/72/84/64/848728464.db2.gz VGIOHDHLVHZTDH-WDEREUQCSA-N 2 2 256.325 0.726 20 0 CCADLP C[C@@H](NC(=O)CCc1c[nH+]cn1C)[C@H](C)[NH2+]CCCO ZINC001275553101 848760701 /nfs/dbraw/zinc/76/07/01/848760701.db2.gz MMUCVOIMCLUKCW-NWDGAFQWSA-N 2 2 282.388 0.218 20 0 CCADLP C[C@@H]([NH2+]CCCO)[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001275553100 848760718 /nfs/dbraw/zinc/76/07/18/848760718.db2.gz MMUCVOIMCLUKCW-NEPJUHHUSA-N 2 2 282.388 0.218 20 0 CCADLP C[NH+](C)CCN1CCC12C[NH+](Cc1cccnc1)C2 ZINC001275885291 848856965 /nfs/dbraw/zinc/85/69/65/848856965.db2.gz CAUOHFQKAXAJLZ-UHFFFAOYSA-N 2 2 260.385 0.903 20 0 CCADLP C[C@@H]1C[C@@H]1C[N@@H+]1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001276034182 848899924 /nfs/dbraw/zinc/89/99/24/848899924.db2.gz XWIDYGQXSQXGQK-WCVJEAGWSA-N 2 2 290.411 0.924 20 0 CCADLP C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001276034182 848899930 /nfs/dbraw/zinc/89/99/30/848899930.db2.gz XWIDYGQXSQXGQK-WCVJEAGWSA-N 2 2 290.411 0.924 20 0 CCADLP CC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000225262832 849009419 /nfs/dbraw/zinc/00/94/19/849009419.db2.gz IFIZISPTAOBSLJ-ZIAGYGMSSA-N 3 2 255.406 0.375 20 0 CCADLP CC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000225262832 849009426 /nfs/dbraw/zinc/00/94/26/849009426.db2.gz IFIZISPTAOBSLJ-ZIAGYGMSSA-N 3 2 255.406 0.375 20 0 CCADLP C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO)n1cc[nH+]c1 ZINC001111077902 849066318 /nfs/dbraw/zinc/06/63/18/849066318.db2.gz BPTHJKKKUMIJIZ-SYQHCUMBSA-N 2 2 292.383 0.548 20 0 CCADLP C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO)n1cc[nH+]c1 ZINC001111077902 849066331 /nfs/dbraw/zinc/06/63/31/849066331.db2.gz BPTHJKKKUMIJIZ-SYQHCUMBSA-N 2 2 292.383 0.548 20 0 CCADLP CCc1nc(N2CC[N@H+](C)[C@@H](CO)C2)cc(C)[nH+]1 ZINC000687589594 849110642 /nfs/dbraw/zinc/11/06/42/849110642.db2.gz WMSQUADEQYVTLJ-LLVKDONJSA-N 2 2 250.346 0.460 20 0 CCADLP CCc1nc(N2CC[N@@H+](C)[C@@H](CO)C2)cc(C)[nH+]1 ZINC000687589594 849110646 /nfs/dbraw/zinc/11/06/46/849110646.db2.gz WMSQUADEQYVTLJ-LLVKDONJSA-N 2 2 250.346 0.460 20 0 CCADLP COC(=O)CC[C@@H](C)[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001258362921 849252588 /nfs/dbraw/zinc/25/25/88/849252588.db2.gz AYAOEZDDORSMQS-LLVKDONJSA-N 2 2 258.362 0.374 20 0 CCADLP CCS(=O)(=O)CC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000383930953 849281334 /nfs/dbraw/zinc/28/13/34/849281334.db2.gz SOYLHHXUNARDGO-RYUDHWBXSA-N 2 2 260.403 0.482 20 0 CCADLP CCS(=O)(=O)CC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000383930953 849281341 /nfs/dbraw/zinc/28/13/41/849281341.db2.gz SOYLHHXUNARDGO-RYUDHWBXSA-N 2 2 260.403 0.482 20 0 CCADLP C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001114750409 849386090 /nfs/dbraw/zinc/38/60/90/849386090.db2.gz HPPPJNHJXCYEMJ-NHAGDIPZSA-N 2 2 292.383 0.563 20 0 CCADLP C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001114750409 849386095 /nfs/dbraw/zinc/38/60/95/849386095.db2.gz HPPPJNHJXCYEMJ-NHAGDIPZSA-N 2 2 292.383 0.563 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCCN2CCSC[C@H]12 ZINC000720414159 849455016 /nfs/dbraw/zinc/45/50/16/849455016.db2.gz SQDCUQWEQNCZON-APIJFGDWSA-N 2 2 299.484 0.923 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1C(F)(F)F ZINC000720805289 849540518 /nfs/dbraw/zinc/54/05/18/849540518.db2.gz LZTQTLAWAYOZOI-VHSXEESVSA-N 2 2 279.306 0.678 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1C(F)(F)F ZINC000720805289 849540526 /nfs/dbraw/zinc/54/05/26/849540526.db2.gz LZTQTLAWAYOZOI-VHSXEESVSA-N 2 2 279.306 0.678 20 0 CCADLP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000381261286 849748327 /nfs/dbraw/zinc/74/83/27/849748327.db2.gz PGXVMCQZGCVELG-UTUOFQBUSA-N 2 2 250.346 0.918 20 0 CCADLP O=C(NC[C@@H]1CC[N@H+]1CCCO)c1cc2c[nH+]ccc2[nH]1 ZINC001038418714 849887547 /nfs/dbraw/zinc/88/75/47/849887547.db2.gz ZKPHGGPRCFADQK-LBPRGKRZSA-N 2 2 288.351 0.749 20 0 CCADLP O=C(NC[C@@H]1CC[N@@H+]1CCCO)c1cc2c[nH+]ccc2[nH]1 ZINC001038418714 849887556 /nfs/dbraw/zinc/88/75/56/849887556.db2.gz ZKPHGGPRCFADQK-LBPRGKRZSA-N 2 2 288.351 0.749 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NC[C@H]2CC[N@@H+]2CCCF)no1 ZINC001038440876 849899699 /nfs/dbraw/zinc/89/96/99/849899699.db2.gz CCGJHGLGTNUPLZ-LLVKDONJSA-N 2 2 298.362 0.900 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NC[C@H]2CC[N@H+]2CCCF)no1 ZINC001038440876 849899703 /nfs/dbraw/zinc/89/97/03/849899703.db2.gz CCGJHGLGTNUPLZ-LLVKDONJSA-N 2 2 298.362 0.900 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2Cc2ccccn2)C1 ZINC001039007556 850117046 /nfs/dbraw/zinc/11/70/46/850117046.db2.gz QXMZIHLOBBSEKZ-DZGCQCFKSA-N 2 2 288.395 0.724 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2Cc2ccccn2)C1 ZINC001039007556 850117057 /nfs/dbraw/zinc/11/70/57/850117057.db2.gz QXMZIHLOBBSEKZ-DZGCQCFKSA-N 2 2 288.395 0.724 20 0 CCADLP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccn2)C1 ZINC001039007556 850117066 /nfs/dbraw/zinc/11/70/66/850117066.db2.gz QXMZIHLOBBSEKZ-DZGCQCFKSA-N 2 2 288.395 0.724 20 0 CCADLP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@H+]2Cc2ccccn2)C1 ZINC001039007556 850117074 /nfs/dbraw/zinc/11/70/74/850117074.db2.gz QXMZIHLOBBSEKZ-DZGCQCFKSA-N 2 2 288.395 0.724 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CC[N@@H+](CCCO)[C@H]2C1 ZINC001042250337 850602214 /nfs/dbraw/zinc/60/22/14/850602214.db2.gz SUPFGKRGTICLQI-OCCSQVGLSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CC[N@H+](CCCO)[C@H]2C1 ZINC001042250337 850602223 /nfs/dbraw/zinc/60/22/23/850602223.db2.gz SUPFGKRGTICLQI-OCCSQVGLSA-N 2 2 292.383 0.257 20 0 CCADLP CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001043123919 850817776 /nfs/dbraw/zinc/81/77/76/850817776.db2.gz KWJMXUPWQFXEHB-GFCCVEGCSA-N 2 2 276.384 0.998 20 0 CCADLP COC[C@@H](C)[NH+]1CC(N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001043875267 850955168 /nfs/dbraw/zinc/95/51/68/850955168.db2.gz KBXHBPXGRDLSAU-CHWSQXEVSA-N 2 2 283.416 0.648 20 0 CCADLP COC[C@@H](C)[NH+]1CC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001043875267 850955175 /nfs/dbraw/zinc/95/51/75/850955175.db2.gz KBXHBPXGRDLSAU-CHWSQXEVSA-N 2 2 283.416 0.648 20 0 CCADLP CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046216103 851427121 /nfs/dbraw/zinc/42/71/21/851427121.db2.gz YEBAWHJBONSGTG-JSGCOSHPSA-N 2 2 269.389 0.308 20 0 CCADLP CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046216103 851427123 /nfs/dbraw/zinc/42/71/23/851427123.db2.gz YEBAWHJBONSGTG-JSGCOSHPSA-N 2 2 269.389 0.308 20 0 CCADLP CCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001046216103 851427124 /nfs/dbraw/zinc/42/71/24/851427124.db2.gz YEBAWHJBONSGTG-JSGCOSHPSA-N 2 2 269.389 0.308 20 0 CCADLP CCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001046216103 851427126 /nfs/dbraw/zinc/42/71/26/851427126.db2.gz YEBAWHJBONSGTG-JSGCOSHPSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@H+](CCCO)C1 ZINC001046395743 851485826 /nfs/dbraw/zinc/48/58/26/851485826.db2.gz XEHGRORZTCSHFF-JMSVASOKSA-N 2 2 292.383 0.476 20 0 CCADLP C[C@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@@H+](CCCO)C1 ZINC001046395743 851485836 /nfs/dbraw/zinc/48/58/36/851485836.db2.gz XEHGRORZTCSHFF-JMSVASOKSA-N 2 2 292.383 0.476 20 0 CCADLP C[C@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@H+](CCCO)C1 ZINC001046395743 851485841 /nfs/dbraw/zinc/48/58/41/851485841.db2.gz XEHGRORZTCSHFF-JMSVASOKSA-N 2 2 292.383 0.476 20 0 CCADLP C[C@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@@H+](CCCO)C1 ZINC001046395743 851485849 /nfs/dbraw/zinc/48/58/49/851485849.db2.gz XEHGRORZTCSHFF-JMSVASOKSA-N 2 2 292.383 0.476 20 0 CCADLP C[C@H](CNC(=O)C1C[NH+]([C@H]2CCOC2)C1)Cn1cc[nH+]c1 ZINC000900789132 851512223 /nfs/dbraw/zinc/51/22/23/851512223.db2.gz ZFUGECGJGLVBPN-OCCSQVGLSA-N 2 2 292.383 0.356 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@]2(C)CC[NH+](Cc3ccon3)C2)C1 ZINC001046835005 851625821 /nfs/dbraw/zinc/62/58/21/851625821.db2.gz ZMRJNVXBHJEGIF-IUODEOHRSA-N 2 2 292.383 0.707 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)N[C@]2(C)CC[NH+](Cc3ccon3)C2)C1 ZINC001046835005 851625827 /nfs/dbraw/zinc/62/58/27/851625827.db2.gz ZMRJNVXBHJEGIF-IUODEOHRSA-N 2 2 292.383 0.707 20 0 CCADLP C[NH+]1CC[C@@H](C(=O)N[C@]2(C)CC[N@H+](Cc3ccon3)C2)C1 ZINC001046835005 851625832 /nfs/dbraw/zinc/62/58/32/851625832.db2.gz ZMRJNVXBHJEGIF-IUODEOHRSA-N 2 2 292.383 0.707 20 0 CCADLP C[NH+]1CC[C@@H](C(=O)N[C@]2(C)CC[N@@H+](Cc3ccon3)C2)C1 ZINC001046835005 851625840 /nfs/dbraw/zinc/62/58/40/851625840.db2.gz ZMRJNVXBHJEGIF-IUODEOHRSA-N 2 2 292.383 0.707 20 0 CCADLP CC[NH2+][C@H](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001048074770 851888616 /nfs/dbraw/zinc/88/86/16/851888616.db2.gz RAGAANYBLYNIOK-NEPJUHHUSA-N 2 2 250.346 0.730 20 0 CCADLP COCC[N@H+]1C[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001048853419 852085408 /nfs/dbraw/zinc/08/54/08/852085408.db2.gz BFSZYGFIRYHVAE-BETUJISGSA-N 2 2 292.383 0.379 20 0 CCADLP COCC[N@@H+]1C[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001048853419 852085415 /nfs/dbraw/zinc/08/54/15/852085415.db2.gz BFSZYGFIRYHVAE-BETUJISGSA-N 2 2 292.383 0.379 20 0 CCADLP COCC[N@H+]1C[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001048853419 852085417 /nfs/dbraw/zinc/08/54/17/852085417.db2.gz BFSZYGFIRYHVAE-BETUJISGSA-N 2 2 292.383 0.379 20 0 CCADLP COCC[N@@H+]1C[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001048853419 852085427 /nfs/dbraw/zinc/08/54/27/852085427.db2.gz BFSZYGFIRYHVAE-BETUJISGSA-N 2 2 292.383 0.379 20 0 CCADLP COCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001096433712 852091201 /nfs/dbraw/zinc/09/12/01/852091201.db2.gz SNWNADNAMLXRPV-XBFCOCLRSA-N 2 2 292.383 0.629 20 0 CCADLP COCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001096433712 852091214 /nfs/dbraw/zinc/09/12/14/852091214.db2.gz SNWNADNAMLXRPV-XBFCOCLRSA-N 2 2 292.383 0.629 20 0 CCADLP CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001049390577 852255884 /nfs/dbraw/zinc/25/58/84/852255884.db2.gz BYULIAKSMFZBRN-RBSFLKMASA-N 2 2 295.427 0.792 20 0 CCADLP CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001049390577 852255893 /nfs/dbraw/zinc/25/58/93/852255893.db2.gz BYULIAKSMFZBRN-RBSFLKMASA-N 2 2 295.427 0.792 20 0 CCADLP CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001049390577 852255904 /nfs/dbraw/zinc/25/59/04/852255904.db2.gz BYULIAKSMFZBRN-RBSFLKMASA-N 2 2 295.427 0.792 20 0 CCADLP CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001049390577 852255917 /nfs/dbraw/zinc/25/59/17/852255917.db2.gz BYULIAKSMFZBRN-RBSFLKMASA-N 2 2 295.427 0.792 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCO ZINC001049511853 852301383 /nfs/dbraw/zinc/30/13/83/852301383.db2.gz PZERLNFUVGWASX-ZIAGYGMSSA-N 2 2 292.383 0.400 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCO ZINC001049511853 852301391 /nfs/dbraw/zinc/30/13/91/852301391.db2.gz PZERLNFUVGWASX-ZIAGYGMSSA-N 2 2 292.383 0.400 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCO ZINC001049511853 852301398 /nfs/dbraw/zinc/30/13/98/852301398.db2.gz PZERLNFUVGWASX-ZIAGYGMSSA-N 2 2 292.383 0.400 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCO ZINC001049511853 852301404 /nfs/dbraw/zinc/30/14/04/852301404.db2.gz PZERLNFUVGWASX-ZIAGYGMSSA-N 2 2 292.383 0.400 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049934524 852399622 /nfs/dbraw/zinc/39/96/22/852399622.db2.gz XNMAMBDNSGUPDN-IHRRRGAJSA-N 2 2 292.383 0.329 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001049934524 852399629 /nfs/dbraw/zinc/39/96/29/852399629.db2.gz XNMAMBDNSGUPDN-IHRRRGAJSA-N 2 2 292.383 0.329 20 0 CCADLP Cc1nc(N[C@@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C)cc[nH+]1 ZINC001097729312 852592652 /nfs/dbraw/zinc/59/26/52/852592652.db2.gz IKZKZOAOBBELGI-CMPLNLGQSA-N 2 2 277.372 0.796 20 0 CCADLP Cc1nc(N[C@@H](C)CNC(=O)[C@H]2CCC[N@H+]2C)cc[nH+]1 ZINC001097729312 852592658 /nfs/dbraw/zinc/59/26/58/852592658.db2.gz IKZKZOAOBBELGI-CMPLNLGQSA-N 2 2 277.372 0.796 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[N@H+](CCCO)CC1 ZINC001052867650 852665091 /nfs/dbraw/zinc/66/50/91/852665091.db2.gz NBKVUUWLZYLOKA-CYBMUJFWSA-N 2 2 294.399 0.316 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[N@@H+](CCCO)CC1 ZINC001052867650 852665100 /nfs/dbraw/zinc/66/51/00/852665100.db2.gz NBKVUUWLZYLOKA-CYBMUJFWSA-N 2 2 294.399 0.316 20 0 CCADLP CC[C@@H](C(=O)N1CCOC2(C[NH+](C(C)C)C2)C1)[NH+](C)C ZINC001053432277 852742041 /nfs/dbraw/zinc/74/20/41/852742041.db2.gz VSXSVVIJZJIPQW-ZDUSSCGKSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)C[N@@H+]1CC[C@H](C)C1)CCO2 ZINC001053428740 852742167 /nfs/dbraw/zinc/74/21/67/852742167.db2.gz UUMAGZHWJFZZMI-ZDUSSCGKSA-N 2 2 281.400 0.261 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)C[N@H+]1CC[C@H](C)C1)CCO2 ZINC001053428740 852742171 /nfs/dbraw/zinc/74/21/71/852742171.db2.gz UUMAGZHWJFZZMI-ZDUSSCGKSA-N 2 2 281.400 0.261 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)C[N@@H+]1CCC[C@H]1C)CCO2 ZINC001053429352 852743103 /nfs/dbraw/zinc/74/31/03/852743103.db2.gz NAWTWLBTTJDOKW-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)C[N@H+]1CCC[C@H]1C)CCO2 ZINC001053429352 852743111 /nfs/dbraw/zinc/74/31/11/852743111.db2.gz NAWTWLBTTJDOKW-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)CO2 ZINC001053924804 852847621 /nfs/dbraw/zinc/84/76/21/852847621.db2.gz CEGUYRFJZCNGEA-STQMWFEESA-N 2 2 281.400 0.308 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@H+]1CC[C@H](C)C1)CO2 ZINC001053924804 852847622 /nfs/dbraw/zinc/84/76/22/852847622.db2.gz CEGUYRFJZCNGEA-STQMWFEESA-N 2 2 281.400 0.308 20 0 CCADLP CC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001054950852 853043331 /nfs/dbraw/zinc/04/33/31/853043331.db2.gz GWAYGRYILKTKJU-VXGBXAGGSA-N 2 2 250.346 0.730 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]3C[NH+](CCF)C[C@H]32)C1 ZINC001050006753 853292519 /nfs/dbraw/zinc/29/25/19/853292519.db2.gz PVMBWCUUVMHUOC-BFHYXJOUSA-N 2 2 299.390 0.209 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]3C[NH+](CCF)C[C@H]32)C1 ZINC001050006753 853292524 /nfs/dbraw/zinc/29/25/24/853292524.db2.gz PVMBWCUUVMHUOC-BFHYXJOUSA-N 2 2 299.390 0.209 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2CCC[C@H]3C[N@H+](CCF)C[C@H]32)C1 ZINC001050006753 853292532 /nfs/dbraw/zinc/29/25/32/853292532.db2.gz PVMBWCUUVMHUOC-BFHYXJOUSA-N 2 2 299.390 0.209 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2CCC[C@H]3C[N@@H+](CCF)C[C@H]32)C1 ZINC001050006753 853292539 /nfs/dbraw/zinc/29/25/39/853292539.db2.gz PVMBWCUUVMHUOC-BFHYXJOUSA-N 2 2 299.390 0.209 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001050183531 853331190 /nfs/dbraw/zinc/33/11/90/853331190.db2.gz FCBYXIVNCGMAEM-GXTWGEPZSA-N 2 2 294.374 0.855 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC001050183531 853331202 /nfs/dbraw/zinc/33/12/02/853331202.db2.gz FCBYXIVNCGMAEM-GXTWGEPZSA-N 2 2 294.374 0.855 20 0 CCADLP CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CCO1 ZINC001051690993 853624558 /nfs/dbraw/zinc/62/45/58/853624558.db2.gz WRDLFXJIBNDYHO-STQMWFEESA-N 2 2 292.383 0.282 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CCO1 ZINC001051690992 853624737 /nfs/dbraw/zinc/62/47/37/853624737.db2.gz WRDLFXJIBNDYHO-QWHCGFSZSA-N 2 2 292.383 0.282 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCO1 ZINC001051834590 853649258 /nfs/dbraw/zinc/64/92/58/853649258.db2.gz RHRLATXKJKWIEP-JHJVBQTASA-N 2 2 292.383 0.361 20 0 CCADLP CC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)CCO1 ZINC001051921243 853659141 /nfs/dbraw/zinc/65/91/41/853659141.db2.gz ZPHIHCVJVBICFR-ZDUSSCGKSA-N 2 2 280.372 0.190 20 0 CCADLP CC(C)[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)CCO1 ZINC001051920264 853659163 /nfs/dbraw/zinc/65/91/63/853659163.db2.gz OZIUIVSTHGPXAB-CQSZACIVSA-N 2 2 294.399 0.578 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC001137396005 853782842 /nfs/dbraw/zinc/78/28/42/853782842.db2.gz OEMGANCHQUINKP-RAIGVLPGSA-N 2 2 251.374 0.680 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC001137396005 853782852 /nfs/dbraw/zinc/78/28/52/853782852.db2.gz OEMGANCHQUINKP-RAIGVLPGSA-N 2 2 251.374 0.680 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC001137396005 853782862 /nfs/dbraw/zinc/78/28/62/853782862.db2.gz OEMGANCHQUINKP-RAIGVLPGSA-N 2 2 251.374 0.680 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC001137396005 853782866 /nfs/dbraw/zinc/78/28/66/853782866.db2.gz OEMGANCHQUINKP-RAIGVLPGSA-N 2 2 251.374 0.680 20 0 CCADLP CC(C)(C)[NH2+]CCC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394381172 854175815 /nfs/dbraw/zinc/17/58/15/854175815.db2.gz CWWCIYRCQNJLHA-ZDUSSCGKSA-N 2 2 282.432 0.271 20 0 CCADLP CC(C)(C)[NH2+]CCC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000394381172 854175820 /nfs/dbraw/zinc/17/58/20/854175820.db2.gz CWWCIYRCQNJLHA-ZDUSSCGKSA-N 2 2 282.432 0.271 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000396641473 854370823 /nfs/dbraw/zinc/37/08/23/854370823.db2.gz BDQHYOPLCVBQPW-UONOGXRCSA-N 3 2 254.422 0.354 20 0 CCADLP CC1(C)CC[C@H](CNC(=O)Cn2cc[nH+]c2)[N@@H+](CCO)C1 ZINC001099358790 854928491 /nfs/dbraw/zinc/92/84/91/854928491.db2.gz KYZCRWPPQUXIBN-CYBMUJFWSA-N 2 2 294.399 0.482 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CC[N@@H+](CCCF)C[C@H]1O ZINC001099804043 854999812 /nfs/dbraw/zinc/99/98/12/854999812.db2.gz HAMMCCWYWCXHOY-VXGBXAGGSA-N 2 2 298.362 0.253 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CCCF)C[C@@H]1O ZINC001099940094 855038756 /nfs/dbraw/zinc/03/87/56/855038756.db2.gz PZODTDWTWAJFNQ-OLZOCXBDSA-N 2 2 298.362 0.184 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[N@H+](CCCF)C[C@@H]1O ZINC001099940094 855038763 /nfs/dbraw/zinc/03/87/63/855038763.db2.gz PZODTDWTWAJFNQ-OLZOCXBDSA-N 2 2 298.362 0.184 20 0 CCADLP CCCCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001100136135 855106666 /nfs/dbraw/zinc/10/66/66/855106666.db2.gz IECGESKDSJBMFL-KBPBESRZSA-N 2 2 294.399 0.625 20 0 CCADLP CCCCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001100136135 855106669 /nfs/dbraw/zinc/10/66/69/855106669.db2.gz IECGESKDSJBMFL-KBPBESRZSA-N 2 2 294.399 0.625 20 0 CCADLP COCC[NH2+]C1CC(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001100918160 855238659 /nfs/dbraw/zinc/23/86/59/855238659.db2.gz GYNAAXVWJFJVAH-UHFFFAOYSA-N 2 2 280.372 0.391 20 0 CCADLP Cc1nc(N2CC[C@@H](CNC(=O)CC[NH+](C)C)C2)cc[nH+]1 ZINC001101052792 855258245 /nfs/dbraw/zinc/25/82/45/855258245.db2.gz WIULXMDHAHMAPW-ZDUSSCGKSA-N 2 2 291.399 0.679 20 0 CCADLP C[C@@H](O)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC001115015348 855634339 /nfs/dbraw/zinc/63/43/39/855634339.db2.gz CLJQVJABEVNXIY-FJJYHAOUSA-N 2 2 292.383 0.160 20 0 CCADLP C[C@@H](O)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC001115015348 855634344 /nfs/dbraw/zinc/63/43/44/855634344.db2.gz CLJQVJABEVNXIY-FJJYHAOUSA-N 2 2 292.383 0.160 20 0 CCADLP CN(CCC[NH3+])C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001118482838 856309207 /nfs/dbraw/zinc/30/92/07/856309207.db2.gz RRVMJNSFWCCKOI-JTQLQIEISA-N 2 2 251.334 0.188 20 0 CCADLP CC[C@@H](C[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CC1)OC ZINC001392935931 912277979 /nfs/dbraw/zinc/27/79/79/912277979.db2.gz DRJZTFNAHWBTJT-LBPRGKRZSA-N 2 2 280.372 0.616 20 0 CCADLP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]Cc3ccon3)CC2)C1 ZINC001392950840 912283954 /nfs/dbraw/zinc/28/39/54/912283954.db2.gz RTIUHLCTZGKVHX-GFCCVEGCSA-N 2 2 292.383 0.755 20 0 CCADLP C[N@H+]1CC[C@H](CC(=O)NCC2([NH2+]Cc3ccon3)CC2)C1 ZINC001392950840 912283978 /nfs/dbraw/zinc/28/39/78/912283978.db2.gz RTIUHLCTZGKVHX-GFCCVEGCSA-N 2 2 292.383 0.755 20 0 CCADLP C[C@@H](O)CCC[NH+]1CC(N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001392999392 912315942 /nfs/dbraw/zinc/31/59/42/912315942.db2.gz VMXQZHQRWNQCEI-CYBMUJFWSA-N 2 2 297.443 0.774 20 0 CCADLP CC(C)[NH+]1CC(N(C)C(=O)CCc2c[nH+]cn2C)C1 ZINC001324018960 912631688 /nfs/dbraw/zinc/63/16/88/912631688.db2.gz ZXDQYRIQJZNAQJ-UHFFFAOYSA-N 2 2 264.373 0.904 20 0 CCADLP CC[C@H](C(=O)N[C@H](C)C1C[NH+](CC(N)=O)C1)[NH+](CC)CC ZINC001394257117 913104213 /nfs/dbraw/zinc/10/42/13/913104213.db2.gz YTSDPIXDYHDLQZ-DGCLKSJQSA-N 2 2 298.431 0.029 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](CO)[NH2+]CC1CCC1 ZINC001394635131 913327955 /nfs/dbraw/zinc/32/79/55/913327955.db2.gz BCWLUFHFNXSKSE-SMDDNHRTSA-N 2 2 294.399 0.455 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](CO)[NH2+]CC1CCC1 ZINC001394635131 913327963 /nfs/dbraw/zinc/32/79/63/913327963.db2.gz BCWLUFHFNXSKSE-SMDDNHRTSA-N 2 2 294.399 0.455 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+](C)C/C=C/Cl)C1 ZINC001480950798 891934212 /nfs/dbraw/zinc/93/42/12/891934212.db2.gz WDVHJAGJJRJTSF-ZYOFXKKJSA-N 2 2 289.807 0.508 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+](C)C/C=C/Cl)C1 ZINC001480950798 891934220 /nfs/dbraw/zinc/93/42/20/891934220.db2.gz WDVHJAGJJRJTSF-ZYOFXKKJSA-N 2 2 289.807 0.508 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@H+](C)C/C=C/Cl)C1 ZINC001480950798 891934229 /nfs/dbraw/zinc/93/42/29/891934229.db2.gz WDVHJAGJJRJTSF-ZYOFXKKJSA-N 2 2 289.807 0.508 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+](C)C/C=C/Cl)C1 ZINC001480950798 891934243 /nfs/dbraw/zinc/93/42/43/891934243.db2.gz WDVHJAGJJRJTSF-ZYOFXKKJSA-N 2 2 289.807 0.508 20 0 CCADLP CCOCC[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001481242351 892419533 /nfs/dbraw/zinc/41/95/33/892419533.db2.gz HRRHXAJUDUBSTQ-VXGBXAGGSA-N 2 2 280.372 0.598 20 0 CCADLP CCOCC[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001481242351 892419543 /nfs/dbraw/zinc/41/95/43/892419543.db2.gz HRRHXAJUDUBSTQ-VXGBXAGGSA-N 2 2 280.372 0.598 20 0 CCADLP Cc1nnc(C[NH2+]CCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)o1 ZINC001481303131 892552369 /nfs/dbraw/zinc/55/23/69/892552369.db2.gz VSLKXIOPIIUGFC-GFCCVEGCSA-N 2 2 295.387 0.268 20 0 CCADLP Cc1nnc(C[NH2+]CCN(C)C(=O)C[C@H]2CC[N@@H+](C)C2)o1 ZINC001481303131 892552403 /nfs/dbraw/zinc/55/24/03/892552403.db2.gz VSLKXIOPIIUGFC-GFCCVEGCSA-N 2 2 295.387 0.268 20 0 CCADLP COCC[NH+]1CC(NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001481565543 892837361 /nfs/dbraw/zinc/83/73/61/892837361.db2.gz LEVOWRGDGGTXEJ-LBPRGKRZSA-N 2 2 257.378 0.019 20 0 CCADLP COCCC[NH+]1CC(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001481567503 892837854 /nfs/dbraw/zinc/83/78/54/892837854.db2.gz TWYFOMMGIFSFJQ-LSDHHAIUSA-N 2 2 295.427 0.840 20 0 CCADLP COCCC[NH+]1CC(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001481567503 892837866 /nfs/dbraw/zinc/83/78/66/892837866.db2.gz TWYFOMMGIFSFJQ-LSDHHAIUSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@@H](O)CCC[NH+]1CC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001481583182 892864791 /nfs/dbraw/zinc/86/47/91/892864791.db2.gz YLNMJVYIAFJKLN-CHWSQXEVSA-N 2 2 283.416 0.290 20 0 CCADLP C[C@@H](O)CCC[NH+]1CC(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001481583182 892864807 /nfs/dbraw/zinc/86/48/07/892864807.db2.gz YLNMJVYIAFJKLN-CHWSQXEVSA-N 2 2 283.416 0.290 20 0 CCADLP CO[C@H](C)C[NH+]1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001481646018 892960237 /nfs/dbraw/zinc/96/02/37/892960237.db2.gz DZAVZSQFKXYFFW-SNVBAGLBSA-N 2 2 266.345 0.035 20 0 CCADLP CO[C@H](C)C[NH+]1CC(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001481656112 892973159 /nfs/dbraw/zinc/97/31/59/892973159.db2.gz OJVZZPCXRNVOOD-SNVBAGLBSA-N 2 2 280.372 0.344 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@](C)(C[NH2+]CCF)C2CC2)C1 ZINC001481921436 893265976 /nfs/dbraw/zinc/26/59/76/893265976.db2.gz GDSCMXWBOFGGKT-TZMCWYRMSA-N 2 2 287.379 0.161 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@](C)(C[NH2+]CCF)C2CC2)C1 ZINC001481921436 893265987 /nfs/dbraw/zinc/26/59/87/893265987.db2.gz GDSCMXWBOFGGKT-TZMCWYRMSA-N 2 2 287.379 0.161 20 0 CCADLP C[C@@](C[NH2+]CCF)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001481949247 893284147 /nfs/dbraw/zinc/28/41/47/893284147.db2.gz XDEYLWATZZQYEI-ZDUSSCGKSA-N 2 2 268.336 0.796 20 0 CCADLP CNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001422860377 893986777 /nfs/dbraw/zinc/98/67/77/893986777.db2.gz IVJCXLHSXUOLMD-GFCCVEGCSA-N 2 2 298.431 0.043 20 0 CCADLP CNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001422860377 893986796 /nfs/dbraw/zinc/98/67/96/893986796.db2.gz IVJCXLHSXUOLMD-GFCCVEGCSA-N 2 2 298.431 0.043 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001482555781 894234717 /nfs/dbraw/zinc/23/47/17/894234717.db2.gz DOSJPHXTVNGOPW-AAEUAGOBSA-N 2 2 282.388 0.718 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)CC[NH2+]C[C@H](C)O)c[nH+]1 ZINC001482842436 894645248 /nfs/dbraw/zinc/64/52/48/894645248.db2.gz CNIYZISAVLTBCT-AAEUAGOBSA-N 2 2 296.415 0.792 20 0 CCADLP Cc1cc(C)c(C(=O)N[C@H](C)CC[NH2+]CC(N)=O)c(C)[nH+]1 ZINC001482855699 894655884 /nfs/dbraw/zinc/65/58/84/894655884.db2.gz IIWVJNHUHYLLMD-SNVBAGLBSA-N 2 2 292.383 0.590 20 0 CCADLP CCC[NH+]1CC(CCO)(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001409703093 895335812 /nfs/dbraw/zinc/33/58/12/895335812.db2.gz SWZQUSCKPWTONS-CQSZACIVSA-N 2 2 297.443 0.822 20 0 CCADLP CCC[NH+]1CC(CCO)(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001409703093 895335825 /nfs/dbraw/zinc/33/58/25/895335825.db2.gz SWZQUSCKPWTONS-CQSZACIVSA-N 2 2 297.443 0.822 20 0 CCADLP CC(C)CC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001409699122 895343122 /nfs/dbraw/zinc/34/31/22/895343122.db2.gz CFJVBZVMXGPRTP-AWEZNQCLSA-N 2 2 297.443 0.680 20 0 CCADLP CC(C)CC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001409699122 895343134 /nfs/dbraw/zinc/34/31/34/895343134.db2.gz CFJVBZVMXGPRTP-AWEZNQCLSA-N 2 2 297.443 0.680 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001409759532 895363873 /nfs/dbraw/zinc/36/38/73/895363873.db2.gz PTAVEYSJXFAKBW-UHFFFAOYSA-N 2 2 283.416 0.291 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[N@@H+](C)C[C@@H](C)O)c[nH+]1 ZINC001483354226 895492443 /nfs/dbraw/zinc/49/24/43/895492443.db2.gz YSJHGNFDAAOMMH-CHWSQXEVSA-N 2 2 296.415 0.744 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[N@H+](C)C[C@@H](C)O)c[nH+]1 ZINC001483354226 895492450 /nfs/dbraw/zinc/49/24/50/895492450.db2.gz YSJHGNFDAAOMMH-CHWSQXEVSA-N 2 2 296.415 0.744 20 0 CCADLP C[C@@H](C[N@H+](C)C[C@@H]1CCOC1)NC(=O)Cc1c[nH+]cn1C ZINC001483409734 895544822 /nfs/dbraw/zinc/54/48/22/895544822.db2.gz TVFVYBGBCPXGET-STQMWFEESA-N 2 2 294.399 0.436 20 0 CCADLP C[C@@H](C[N@@H+](C)C[C@@H]1CCOC1)NC(=O)Cc1c[nH+]cn1C ZINC001483409734 895544829 /nfs/dbraw/zinc/54/48/29/895544829.db2.gz TVFVYBGBCPXGET-STQMWFEESA-N 2 2 294.399 0.436 20 0 CCADLP CCC[NH2+]C[C@H](NC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001483599167 895671950 /nfs/dbraw/zinc/67/19/50/895671950.db2.gz QLSMYZHSLOKMAV-ZDUSSCGKSA-N 2 2 264.373 0.857 20 0 CCADLP CNC(=O)C[C@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC001365425284 895946827 /nfs/dbraw/zinc/94/68/27/895946827.db2.gz MQARIFIXQPKCLQ-VIFPVBQESA-N 2 2 270.402 0.819 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001326582108 914033271 /nfs/dbraw/zinc/03/32/71/914033271.db2.gz KPERTMITIFOUSC-NEPJUHHUSA-N 2 2 260.403 0.353 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001326582108 914033289 /nfs/dbraw/zinc/03/32/89/914033289.db2.gz KPERTMITIFOUSC-NEPJUHHUSA-N 2 2 260.403 0.353 20 0 CCADLP CN(C(=O)CCn1cc[nH+]c1)C1C[NH+](C[C@@H]2CCOC2)C1 ZINC001483873150 896098214 /nfs/dbraw/zinc/09/82/14/896098214.db2.gz OPJQLWWAYBJTIU-ZDUSSCGKSA-N 2 2 292.383 0.452 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001397177012 914080741 /nfs/dbraw/zinc/08/07/41/914080741.db2.gz ZXOYFTBJNSBPPL-RWMBFGLXSA-N 2 2 294.399 0.862 20 0 CCADLP CCCC[NH2+]CC1(NC(=O)Cn2cc[nH+]c2)CCOCC1 ZINC001484872331 896643070 /nfs/dbraw/zinc/64/30/70/896643070.db2.gz AZUCLPQLGJOZOV-UHFFFAOYSA-N 2 2 294.399 0.938 20 0 CCADLP COC[C@@H](C)[NH2+]CC1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001485112542 896778867 /nfs/dbraw/zinc/77/88/67/896778867.db2.gz RQIHNTVADPYMPK-PNESKVBLSA-N 2 2 280.372 0.402 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[N@@H+](C)C[C@H](C)O ZINC001485377957 897006488 /nfs/dbraw/zinc/00/64/88/897006488.db2.gz PDAKDMRODYZBOK-UWVGGRQHSA-N 2 2 268.361 0.078 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[N@H+](C)C[C@H](C)O ZINC001485377957 897006503 /nfs/dbraw/zinc/00/65/03/897006503.db2.gz PDAKDMRODYZBOK-UWVGGRQHSA-N 2 2 268.361 0.078 20 0 CCADLP C[C@@H](O)CCC[N@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001485394585 897019099 /nfs/dbraw/zinc/01/90/99/897019099.db2.gz HKDFXVYPYKIYIQ-QWHCGFSZSA-N 2 2 282.388 0.481 20 0 CCADLP C[C@@H](O)CCC[N@@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001485394585 897019109 /nfs/dbraw/zinc/01/91/09/897019109.db2.gz HKDFXVYPYKIYIQ-QWHCGFSZSA-N 2 2 282.388 0.481 20 0 CCADLP CCC[NH+]1CC(CCO)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001485418255 897043418 /nfs/dbraw/zinc/04/34/18/897043418.db2.gz ADNLEEHIDCWDKE-CYBMUJFWSA-N 2 2 283.416 0.291 20 0 CCADLP CCC[NH+]1CC(CCO)(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001485418255 897043429 /nfs/dbraw/zinc/04/34/29/897043429.db2.gz ADNLEEHIDCWDKE-CYBMUJFWSA-N 2 2 283.416 0.291 20 0 CCADLP C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C1C[NH+](CCCO)C1 ZINC001485508322 897095686 /nfs/dbraw/zinc/09/56/86/897095686.db2.gz BXPBUGQJQSTPPO-LLVKDONJSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C1C[NH+](CCCO)C1 ZINC001485508322 897095701 /nfs/dbraw/zinc/09/57/01/897095701.db2.gz BXPBUGQJQSTPPO-LLVKDONJSA-N 2 2 280.372 0.161 20 0 CCADLP CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001032443824 897581724 /nfs/dbraw/zinc/58/17/24/897581724.db2.gz DZUPPNAMTGKWMN-IHRRRGAJSA-N 2 2 291.399 0.118 20 0 CCADLP CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001032443824 897581730 /nfs/dbraw/zinc/58/17/30/897581730.db2.gz DZUPPNAMTGKWMN-IHRRRGAJSA-N 2 2 291.399 0.118 20 0 CCADLP CCC[NH+]1CC(N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001043139137 898371929 /nfs/dbraw/zinc/37/19/29/898371929.db2.gz DXIIYOKPZACSAW-GFCCVEGCSA-N 2 2 276.384 0.998 20 0 CCADLP CC(C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCCO1 ZINC001078478819 898387550 /nfs/dbraw/zinc/38/75/50/898387550.db2.gz MLLRHXKGWGQVOG-CYBMUJFWSA-N 2 2 280.372 0.568 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCCO1 ZINC001078484368 898391080 /nfs/dbraw/zinc/39/10/80/898391080.db2.gz HIWCGXBMFBQJNJ-TZMCWYRMSA-N 2 2 294.399 0.815 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCCO1 ZINC001078484368 898391089 /nfs/dbraw/zinc/39/10/89/898391089.db2.gz HIWCGXBMFBQJNJ-TZMCWYRMSA-N 2 2 294.399 0.815 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCO[C@H](C[NH2+]C(C)C)C1 ZINC001078503136 898399449 /nfs/dbraw/zinc/39/94/49/898399449.db2.gz XWAWSNJKLGSVKX-CYBMUJFWSA-N 2 2 294.399 0.876 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001485944423 898528887 /nfs/dbraw/zinc/52/88/87/898528887.db2.gz DPZDOINMOMSCLV-NWDGAFQWSA-N 2 2 282.388 0.434 20 0 CCADLP COCCC[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CCC1 ZINC001326913704 914264726 /nfs/dbraw/zinc/26/47/26/914264726.db2.gz RQAHJUQRPAVNIL-UHFFFAOYSA-N 2 2 294.399 0.628 20 0 CCADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001397574865 914282225 /nfs/dbraw/zinc/28/22/25/914282225.db2.gz JUBFPBJKVWNIKZ-QWHCGFSZSA-N 2 2 298.431 0.123 20 0 CCADLP CC[C@H](C(N)=O)[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001397574865 914282243 /nfs/dbraw/zinc/28/22/43/914282243.db2.gz JUBFPBJKVWNIKZ-QWHCGFSZSA-N 2 2 298.431 0.123 20 0 CCADLP CC[C@H](C(N)=O)[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+](C)C(C)C ZINC001397574865 914282255 /nfs/dbraw/zinc/28/22/55/914282255.db2.gz JUBFPBJKVWNIKZ-QWHCGFSZSA-N 2 2 298.431 0.123 20 0 CCADLP CC[C@H](C(N)=O)[NH+]1CC[C@H]1CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001397574865 914282271 /nfs/dbraw/zinc/28/22/71/914282271.db2.gz JUBFPBJKVWNIKZ-QWHCGFSZSA-N 2 2 298.431 0.123 20 0 CCADLP CCC[NH2+]C[C@H](O)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001486312117 898784913 /nfs/dbraw/zinc/78/49/13/898784913.db2.gz VCAKLKVRNWEGPK-NSHDSACASA-N 2 2 282.388 0.506 20 0 CCADLP C[C@H](CC(=O)NC[C@H]1C[C@H]([NH2+]CCO)C1)n1cc[nH+]c1 ZINC001397676950 914326741 /nfs/dbraw/zinc/32/67/41/914326741.db2.gz OZXUGHZOAWEDSU-JHJVBQTASA-N 2 2 280.372 0.311 20 0 CCADLP C[C@H](O)C[NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001410503718 899442434 /nfs/dbraw/zinc/44/24/34/899442434.db2.gz YRUFXCGUJPUJFN-RYUDHWBXSA-N 2 2 282.388 0.170 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@H](CO)[NH2+]CC2CC2)c[nH+]1 ZINC001410668787 899521255 /nfs/dbraw/zinc/52/12/55/899521255.db2.gz NLRMFMMGZKAUEU-CYBMUJFWSA-N 2 2 294.399 0.403 20 0 CCADLP COCC[NH2+]CCCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175872942 899971149 /nfs/dbraw/zinc/97/11/49/899971149.db2.gz IVAJDNZVZPHKIA-LBPRGKRZSA-N 2 2 282.388 0.863 20 0 CCADLP CC[C@@H](C(=O)NCCC[N@H+](C)Cc1cnns1)[NH+](C)C ZINC001490271126 900585398 /nfs/dbraw/zinc/58/53/98/900585398.db2.gz CLZZBKQOQMPOKB-LBPRGKRZSA-N 2 2 299.444 0.816 20 0 CCADLP CC[C@@H](C(=O)NCCC[N@@H+](C)Cc1cnns1)[NH+](C)C ZINC001490271126 900585403 /nfs/dbraw/zinc/58/54/03/900585403.db2.gz CLZZBKQOQMPOKB-LBPRGKRZSA-N 2 2 299.444 0.816 20 0 CCADLP Cn1nccc1C[NH+]1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001276281781 902024550 /nfs/dbraw/zinc/02/45/50/902024550.db2.gz UOPMUVSWHGANMI-UHFFFAOYSA-N 2 2 263.389 0.099 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]CC[C@@H]1CCCO1 ZINC001495748814 902112539 /nfs/dbraw/zinc/11/25/39/902112539.db2.gz SRIJCGVEXIJDAE-JSGCOSHPSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@@H]1[C@H](C(=O)N2CCc3cc[nH+]c(N)c3C2)CC[N@@H+]1C ZINC001413380413 902915085 /nfs/dbraw/zinc/91/50/85/902915085.db2.gz SJOQFKOBIYBNKR-ZYHUDNBSSA-N 2 2 274.368 0.889 20 0 CCADLP C[C@@H]1[C@H](C(=O)N2CCc3cc[nH+]c(N)c3C2)CC[N@H+]1C ZINC001413380413 902915098 /nfs/dbraw/zinc/91/50/98/902915098.db2.gz SJOQFKOBIYBNKR-ZYHUDNBSSA-N 2 2 274.368 0.889 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC001413464406 902968740 /nfs/dbraw/zinc/96/87/40/902968740.db2.gz HBGCFXHFOWVDRG-UHFFFAOYSA-N 2 2 292.383 0.712 20 0 CCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001413689342 903187218 /nfs/dbraw/zinc/18/72/18/903187218.db2.gz MMSMDLYHCCSXPA-RYUDHWBXSA-N 2 2 290.367 0.035 20 0 CCADLP Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC001327719752 914728376 /nfs/dbraw/zinc/72/83/76/914728376.db2.gz LQCPWSDDLAQPEV-SSDOTTSWSA-N 2 2 262.317 0.523 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH2+]Cc1ccon1 ZINC001491528156 903642691 /nfs/dbraw/zinc/64/26/91/903642691.db2.gz KIEOGPDDNMXDIS-JTQLQIEISA-N 2 2 277.328 0.474 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001413819515 903697069 /nfs/dbraw/zinc/69/70/69/903697069.db2.gz WTBDFOSNDLOHAU-RYMFRWLXSA-N 2 2 288.395 0.980 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001413819515 903697075 /nfs/dbraw/zinc/69/70/75/903697075.db2.gz WTBDFOSNDLOHAU-RYMFRWLXSA-N 2 2 288.395 0.980 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001398725279 914813450 /nfs/dbraw/zinc/81/34/50/914813450.db2.gz LSJCLTDIVKOTOI-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP CCc1nocc1C[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001377261197 904731371 /nfs/dbraw/zinc/73/13/71/904731371.db2.gz NNWIAHDDNKALFE-UHFFFAOYSA-N 2 2 294.399 0.881 20 0 CCADLP CCc1nocc1C[N@@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001377261197 904731375 /nfs/dbraw/zinc/73/13/75/904731375.db2.gz NNWIAHDDNKALFE-UHFFFAOYSA-N 2 2 294.399 0.881 20 0 CCADLP C[C@H](CCC[NH2+]CCO)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001283202367 904754194 /nfs/dbraw/zinc/75/41/94/904754194.db2.gz HQFLDUFAWBPVCR-OLZOCXBDSA-N 2 2 294.399 0.312 20 0 CCADLP CC(C)C[NH2+]CC1(O)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001377355845 904802775 /nfs/dbraw/zinc/80/27/75/904802775.db2.gz PVVMSZJMVONFDJ-UHFFFAOYSA-N 2 2 294.399 0.551 20 0 CCADLP COC[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001283691252 904962238 /nfs/dbraw/zinc/96/22/38/904962238.db2.gz LFHCYMIGFMKVBK-GHMZBOCLSA-N 2 2 268.361 0.424 20 0 CCADLP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)c1csnn1 ZINC001377583739 905019162 /nfs/dbraw/zinc/01/91/62/905019162.db2.gz APHDCMDOLIQECL-JQWIXIFHSA-N 2 2 297.428 0.741 20 0 CCADLP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C)c1csnn1 ZINC001377583739 905019183 /nfs/dbraw/zinc/01/91/83/905019183.db2.gz APHDCMDOLIQECL-JQWIXIFHSA-N 2 2 297.428 0.741 20 0 CCADLP COCCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC001283922370 905089525 /nfs/dbraw/zinc/08/95/25/905089525.db2.gz IWWIAZKQFUDYKF-NWDGAFQWSA-N 2 2 280.372 0.568 20 0 CCADLP COC[C@@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001377682942 905095780 /nfs/dbraw/zinc/09/57/80/905095780.db2.gz GVMMRVLMWDIXPU-OLZOCXBDSA-N 2 2 294.399 0.910 20 0 CCADLP COC[C@@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001377682942 905095799 /nfs/dbraw/zinc/09/57/99/905095799.db2.gz GVMMRVLMWDIXPU-OLZOCXBDSA-N 2 2 294.399 0.910 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC001377826937 905171655 /nfs/dbraw/zinc/17/16/55/905171655.db2.gz URCGPBPJJQGOPQ-CYBMUJFWSA-N 2 2 294.399 0.316 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001377826937 905171660 /nfs/dbraw/zinc/17/16/60/905171660.db2.gz URCGPBPJJQGOPQ-CYBMUJFWSA-N 2 2 294.399 0.316 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH+]2CC(NC(=O)C[N@H+](C)C3CCC3)C2)O1 ZINC001377890770 905219123 /nfs/dbraw/zinc/21/91/23/905219123.db2.gz JXGSWYVDWWIAOV-DOMZBBRYSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH+]2CC(NC(=O)C[N@@H+](C)C3CCC3)C2)O1 ZINC001377890770 905219134 /nfs/dbraw/zinc/21/91/34/905219134.db2.gz JXGSWYVDWWIAOV-DOMZBBRYSA-N 2 2 295.427 0.839 20 0 CCADLP Cc1nocc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001377913030 905241773 /nfs/dbraw/zinc/24/17/73/905241773.db2.gz XDDOGHODXSGEPH-WDEREUQCSA-N 2 2 291.355 0.863 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH+]2CC(CNC(=O)Cc3c[nH]c[nH+]3)C2)O1 ZINC001377997864 905313271 /nfs/dbraw/zinc/31/32/71/905313271.db2.gz DBMVCEROXZDYDQ-RISCZKNCSA-N 2 2 292.383 0.568 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)Cc1ccnn1C ZINC001378028226 905356673 /nfs/dbraw/zinc/35/66/73/905356673.db2.gz ZXELNSCUMYQWCS-GXTWGEPZSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)Cc1ccnn1C ZINC001378028226 905356693 /nfs/dbraw/zinc/35/66/93/905356693.db2.gz ZXELNSCUMYQWCS-GXTWGEPZSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@H+](C)Cc1ccnn1C ZINC001378028226 905356710 /nfs/dbraw/zinc/35/67/10/905356710.db2.gz ZXELNSCUMYQWCS-GXTWGEPZSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@@H+](C)Cc1ccnn1C ZINC001378028226 905356729 /nfs/dbraw/zinc/35/67/29/905356729.db2.gz ZXELNSCUMYQWCS-GXTWGEPZSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]Cc1cncn1C ZINC001378616079 905712454 /nfs/dbraw/zinc/71/24/54/905712454.db2.gz UOWHWMQSZHYNRL-LLVKDONJSA-N 2 2 290.371 0.228 20 0 CCADLP Cc1nnc(C[NH2+]C[C@H](C)N(C)C(=O)CCC[NH+](C)C)o1 ZINC001378810631 905832301 /nfs/dbraw/zinc/83/23/01/905832301.db2.gz KOHACEHJWMVTRF-NSHDSACASA-N 2 2 297.403 0.656 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1nc(C)no1 ZINC001378846664 905855756 /nfs/dbraw/zinc/85/57/56/905855756.db2.gz UHWYZTKYCAUOFZ-LLVKDONJSA-N 2 2 297.403 0.656 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1nc(C)no1 ZINC001378846664 905855768 /nfs/dbraw/zinc/85/57/68/905855768.db2.gz UHWYZTKYCAUOFZ-LLVKDONJSA-N 2 2 297.403 0.656 20 0 CCADLP C[C@H](O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001379084192 905985001 /nfs/dbraw/zinc/98/50/01/905985001.db2.gz RAFHLLKBIWKKNA-STQMWFEESA-N 2 2 294.399 0.217 20 0 CCADLP C[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001379084192 905985016 /nfs/dbraw/zinc/98/50/16/905985016.db2.gz RAFHLLKBIWKKNA-STQMWFEESA-N 2 2 294.399 0.217 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001379309414 906135808 /nfs/dbraw/zinc/13/58/08/906135808.db2.gz GOYJHSASVFKYJU-WDEREUQCSA-N 2 2 282.388 0.732 20 0 CCADLP CC(C)[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001379842210 906499479 /nfs/dbraw/zinc/49/94/79/906499479.db2.gz MAXTYYFMMAGOJV-AAEUAGOBSA-N 2 2 282.388 0.406 20 0 CCADLP CC(C)[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001379842210 906499493 /nfs/dbraw/zinc/49/94/93/906499493.db2.gz MAXTYYFMMAGOJV-AAEUAGOBSA-N 2 2 282.388 0.406 20 0 CCADLP CC[C@H](F)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001379852403 906508955 /nfs/dbraw/zinc/50/89/55/906508955.db2.gz LMDZQUSPIYJRDT-QWRGUYRKSA-N 2 2 286.351 0.109 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(CC[N@@H+](C)C[C@@H](C)O)C(C)C ZINC001380046824 906605549 /nfs/dbraw/zinc/60/55/49/906605549.db2.gz OHCQEMJLITXOLB-GFCCVEGCSA-N 2 2 296.415 0.810 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(CC[N@H+](C)C[C@@H](C)O)C(C)C ZINC001380046824 906605563 /nfs/dbraw/zinc/60/55/63/906605563.db2.gz OHCQEMJLITXOLB-GFCCVEGCSA-N 2 2 296.415 0.810 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]Cc2cnon2)CC1 ZINC001380168314 906663970 /nfs/dbraw/zinc/66/39/70/906663970.db2.gz BISIUFSFCRYXGH-UHFFFAOYSA-N 2 2 281.360 0.148 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]Cc2cnon2)CC1 ZINC001380168314 906663979 /nfs/dbraw/zinc/66/39/79/906663979.db2.gz BISIUFSFCRYXGH-UHFFFAOYSA-N 2 2 281.360 0.148 20 0 CCADLP CC[C@@H](C(=O)N(C)C1C[NH+](CCOC)C1)[NH+](CC)CC ZINC001380240130 906688782 /nfs/dbraw/zinc/68/87/82/906688782.db2.gz HYRIWUUPVYUAJT-AWEZNQCLSA-N 2 2 285.432 0.896 20 0 CCADLP CC[C@H](C(=O)N(C)C1C[NH+](CCOC(C)C)C1)[NH+](C)C ZINC001380248837 906695652 /nfs/dbraw/zinc/69/56/52/906695652.db2.gz AEBXPUKZNXSUIQ-CQSZACIVSA-N 2 2 285.432 0.894 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001380302092 906721917 /nfs/dbraw/zinc/72/19/17/906721917.db2.gz SJNJZRSCMCQKSL-ZIAGYGMSSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@]1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001380422781 906767347 /nfs/dbraw/zinc/76/73/47/906767347.db2.gz KLFBZRPUPBOAFI-BXUZGUMPSA-N 2 2 280.372 0.161 20 0 CCADLP [NH3+]Cc1nccnc1N[C@@H]1CCC[N@H+](CCF)C1 ZINC001337707435 921287174 /nfs/dbraw/zinc/28/71/74/921287174.db2.gz MJYUKGQJQIPVQX-SNVBAGLBSA-N 2 2 253.325 0.781 20 0 CCADLP [NH3+]Cc1nccnc1N[C@@H]1CCC[N@@H+](CCF)C1 ZINC001337707435 921287177 /nfs/dbraw/zinc/28/71/77/921287177.db2.gz MJYUKGQJQIPVQX-SNVBAGLBSA-N 2 2 253.325 0.781 20 0 CCADLP C[C@H](O)C[N@H+](C)C[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001381300629 907146891 /nfs/dbraw/zinc/14/68/91/907146891.db2.gz JGEHFLTVLSDBDE-UONOGXRCSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@H](O)C[N@@H+](C)C[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001381300629 907146915 /nfs/dbraw/zinc/14/69/15/907146915.db2.gz JGEHFLTVLSDBDE-UONOGXRCSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@@H](O)C[N@H+](C)C[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001381300627 907148561 /nfs/dbraw/zinc/14/85/61/907148561.db2.gz JGEHFLTVLSDBDE-KGLIPLIRSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001381300627 907148572 /nfs/dbraw/zinc/14/85/72/907148572.db2.gz JGEHFLTVLSDBDE-KGLIPLIRSA-N 2 2 294.399 0.577 20 0 CCADLP C[NH+](C)C1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CCCC1 ZINC001298232623 907189982 /nfs/dbraw/zinc/18/99/82/907189982.db2.gz SBFGGEDYWURLIX-LLVKDONJSA-N 2 2 262.357 0.798 20 0 CCADLP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1ccnn1C ZINC001381447729 907206212 /nfs/dbraw/zinc/20/62/12/907206212.db2.gz NBJRFLCOLVCIBQ-RYUDHWBXSA-N 2 2 290.371 0.300 20 0 CCADLP C[C@@H](O)CCC[N@H+](C)[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001381594597 907315559 /nfs/dbraw/zinc/31/55/59/907315559.db2.gz DZNXLGWWECPXNG-NWDGAFQWSA-N 2 2 282.388 0.550 20 0 CCADLP C[C@@H](O)CCC[N@@H+](C)[C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001381594597 907315574 /nfs/dbraw/zinc/31/55/74/907315574.db2.gz DZNXLGWWECPXNG-NWDGAFQWSA-N 2 2 282.388 0.550 20 0 CCADLP CO[C@@H](C)C[N@H+](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001381984339 907482980 /nfs/dbraw/zinc/48/29/80/907482980.db2.gz DJQMNFCWJFXKLL-LBPRGKRZSA-N 2 2 294.399 0.910 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001381984339 907482986 /nfs/dbraw/zinc/48/29/86/907482986.db2.gz DJQMNFCWJFXKLL-LBPRGKRZSA-N 2 2 294.399 0.910 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+]Cc1cnoc1C ZINC001491650936 907485669 /nfs/dbraw/zinc/48/56/69/907485669.db2.gz OEAFIZCJZRDHEM-SECBINFHSA-N 2 2 291.355 0.852 20 0 CCADLP CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1cnsn1)[NH+](C)C ZINC001382161791 907581050 /nfs/dbraw/zinc/58/10/50/907581050.db2.gz RCPVOJKCBXGHOC-JQWIXIFHSA-N 2 2 299.444 0.815 20 0 CCADLP Cc1ncoc1C[NH2+][C@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001382165170 907581341 /nfs/dbraw/zinc/58/13/41/907581341.db2.gz QHMACCMDAZMRFC-LLVKDONJSA-N 2 2 291.355 0.816 20 0 CCADLP O=C(NCc1c[nH+]c2n1CCC2)C12CC[NH+](CC1)C2 ZINC001303551159 908093476 /nfs/dbraw/zinc/09/34/76/908093476.db2.gz LTVDJWOGJMCEOH-UHFFFAOYSA-N 2 2 260.341 0.541 20 0 CCADLP C[C@@H]1NC(=O)N(CC[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)C1=O ZINC001307517326 908320504 /nfs/dbraw/zinc/32/05/04/908320504.db2.gz YBWOZLAEBCAQDZ-SRVKXCTJSA-N 2 2 282.388 0.341 20 0 CCADLP C[C@@H]1NC(=O)N(CC[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)C1=O ZINC001307517326 908320513 /nfs/dbraw/zinc/32/05/13/908320513.db2.gz YBWOZLAEBCAQDZ-SRVKXCTJSA-N 2 2 282.388 0.341 20 0 CCADLP C[C@@H]1NC(=O)N(CC[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1=O ZINC001307517326 908320527 /nfs/dbraw/zinc/32/05/27/908320527.db2.gz YBWOZLAEBCAQDZ-SRVKXCTJSA-N 2 2 282.388 0.341 20 0 CCADLP C[C@@H]1NC(=O)N(CC[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1=O ZINC001307517326 908320539 /nfs/dbraw/zinc/32/05/39/908320539.db2.gz YBWOZLAEBCAQDZ-SRVKXCTJSA-N 2 2 282.388 0.341 20 0 CCADLP COCCCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001316990467 908897467 /nfs/dbraw/zinc/89/74/67/908897467.db2.gz IIADKJSDPJJCOQ-ZDUSSCGKSA-N 2 2 294.399 0.878 20 0 CCADLP COCCCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001316990467 908897474 /nfs/dbraw/zinc/89/74/74/908897474.db2.gz IIADKJSDPJJCOQ-ZDUSSCGKSA-N 2 2 294.399 0.878 20 0 CCADLP COCCC[N@@H+]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001317138027 909006064 /nfs/dbraw/zinc/00/60/64/909006064.db2.gz QKSRZLXPUIDGCR-CQSZACIVSA-N 2 2 294.399 0.748 20 0 CCADLP COCCC[N@H+]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001317138027 909006083 /nfs/dbraw/zinc/00/60/83/909006083.db2.gz QKSRZLXPUIDGCR-CQSZACIVSA-N 2 2 294.399 0.748 20 0 CCADLP [NH3+][C@H]1CCCN(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC001338472522 921477026 /nfs/dbraw/zinc/47/70/26/921477026.db2.gz CMWCZYNZSOHILL-LBPRGKRZSA-N 2 2 265.361 0.796 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@H+](C)CCCO ZINC001317463881 909245010 /nfs/dbraw/zinc/24/50/10/909245010.db2.gz JSHCRCKWDUVRIP-NSHDSACASA-N 2 2 268.361 0.019 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@@H+](C)CCCO ZINC001317463881 909245025 /nfs/dbraw/zinc/24/50/25/909245025.db2.gz JSHCRCKWDUVRIP-NSHDSACASA-N 2 2 268.361 0.019 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@H+](C)CCCO ZINC001317463881 909245037 /nfs/dbraw/zinc/24/50/37/909245037.db2.gz JSHCRCKWDUVRIP-NSHDSACASA-N 2 2 268.361 0.019 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@@H+](C)CCCO ZINC001317463881 909245053 /nfs/dbraw/zinc/24/50/53/909245053.db2.gz JSHCRCKWDUVRIP-NSHDSACASA-N 2 2 268.361 0.019 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001388681838 909548891 /nfs/dbraw/zinc/54/88/91/909548891.db2.gz JSWZFXBUFFGSEB-SGMGOOAPSA-N 2 2 294.399 0.862 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001388681838 909548905 /nfs/dbraw/zinc/54/89/05/909548905.db2.gz JSWZFXBUFFGSEB-SGMGOOAPSA-N 2 2 294.399 0.862 20 0 CCADLP CC[N@@H+]1CCCN(C(=O)[C@H](C)n2cc[nH+]c2)CC1 ZINC001318380024 909726126 /nfs/dbraw/zinc/72/61/26/909726126.db2.gz PVAMVBSPGCTDCF-LBPRGKRZSA-N 2 2 250.346 0.998 20 0 CCADLP CC[N@H+]1CCCN(C(=O)[C@H](C)n2cc[nH+]c2)CC1 ZINC001318380024 909726131 /nfs/dbraw/zinc/72/61/31/909726131.db2.gz PVAMVBSPGCTDCF-LBPRGKRZSA-N 2 2 250.346 0.998 20 0 CCADLP CC[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CCCO ZINC001318543791 909812595 /nfs/dbraw/zinc/81/25/95/909812595.db2.gz ZTDGPFSWLIWIEX-QWHCGFSZSA-N 2 2 294.399 0.312 20 0 CCADLP O=C(NC[C@@H]([NH2+]CCF)C1CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001389623997 910002705 /nfs/dbraw/zinc/00/27/05/910002705.db2.gz RDIXRPWQDXPDCV-TZMCWYRMSA-N 2 2 294.374 0.899 20 0 CCADLP C[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@H]1CO)n1cc[nH+]c1 ZINC001319585294 910213210 /nfs/dbraw/zinc/21/32/10/910213210.db2.gz HRXPEXXXQAUZHU-KBPBESRZSA-N 2 2 294.399 0.797 20 0 CCADLP C[C@@H](C(=O)NCCCC[N@H+]1CCC[C@H]1CO)n1cc[nH+]c1 ZINC001319585294 910213222 /nfs/dbraw/zinc/21/32/22/910213222.db2.gz HRXPEXXXQAUZHU-KBPBESRZSA-N 2 2 294.399 0.797 20 0 CCADLP C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]Cc1cnsn1 ZINC001390459038 910438233 /nfs/dbraw/zinc/43/82/33/910438233.db2.gz HJJKVHNUCXWKMF-SNVBAGLBSA-N 2 2 297.428 0.474 20 0 CCADLP C[N@H+](CCCO)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001390634910 910557814 /nfs/dbraw/zinc/55/78/14/910557814.db2.gz GCYKKCOARBQZDJ-CYBMUJFWSA-N 2 2 280.372 0.188 20 0 CCADLP C[N@@H+](CCCO)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001390634910 910557834 /nfs/dbraw/zinc/55/78/34/910557834.db2.gz GCYKKCOARBQZDJ-CYBMUJFWSA-N 2 2 280.372 0.188 20 0 CCADLP C[C@H](O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001321125228 911103607 /nfs/dbraw/zinc/10/36/07/911103607.db2.gz JLZIBAZJRMICEE-GPRRCUJPSA-N 2 2 292.383 0.088 20 0 CCADLP CC(C)[C@@H](C(=O)NC1C[NH+](CCC[C@H](C)O)C1)[NH+](C)C ZINC001391422720 911122676 /nfs/dbraw/zinc/12/26/76/911122676.db2.gz WVFDEANLRVEWSQ-JSGCOSHPSA-N 2 2 285.432 0.534 20 0 CCADLP C[NH+](C)CCC(=O)NC/C=C\C[NH2+]Cc1ncccn1 ZINC001321221087 911173306 /nfs/dbraw/zinc/17/33/06/911173306.db2.gz FNSAYGBJVUWCAH-ARJAWSKDSA-N 2 2 277.372 0.190 20 0 CCADLP C[C@H](O)CCC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001391630853 911275063 /nfs/dbraw/zinc/27/50/63/911275063.db2.gz FLAWLWAMPOKRTC-KBPBESRZSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@H](O)CCC[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001391630853 911275068 /nfs/dbraw/zinc/27/50/68/911275068.db2.gz FLAWLWAMPOKRTC-KBPBESRZSA-N 2 2 294.399 0.577 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@](C)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001391799133 911401995 /nfs/dbraw/zinc/40/19/95/911401995.db2.gz CBZJPQPJUVFDEY-WFASDCNBSA-N 2 2 294.399 0.793 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1C[N@H+](C(C)C)CCO1 ZINC001391984497 911506954 /nfs/dbraw/zinc/50/69/54/911506954.db2.gz CYZFAVYDYJUVHY-ZDUSSCGKSA-N 2 2 280.372 0.417 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001391984497 911506966 /nfs/dbraw/zinc/50/69/66/911506966.db2.gz CYZFAVYDYJUVHY-ZDUSSCGKSA-N 2 2 280.372 0.417 20 0 CCADLP C[C@H](C[NH2+]C[C@H]1CCCOC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001392104359 911576808 /nfs/dbraw/zinc/57/68/08/911576808.db2.gz BENIGCXLFRIEKP-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP CC(C)OCC[N@H+](C)CCN(C)C(=O)Cc1c[nH+]cn1C ZINC001392317525 911722232 /nfs/dbraw/zinc/72/22/32/911722232.db2.gz FAWPTPYREMACMX-UHFFFAOYSA-N 2 2 296.415 0.778 20 0 CCADLP CC(C)OCC[N@@H+](C)CCN(C)C(=O)Cc1c[nH+]cn1C ZINC001392317525 911722242 /nfs/dbraw/zinc/72/22/42/911722242.db2.gz FAWPTPYREMACMX-UHFFFAOYSA-N 2 2 296.415 0.778 20 0 CCADLP C[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001417905384 921694178 /nfs/dbraw/zinc/69/41/78/921694178.db2.gz LZYFJSLXZJTDMD-YPMHNXCESA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001417905384 921694152 /nfs/dbraw/zinc/69/41/52/921694152.db2.gz LZYFJSLXZJTDMD-YPMHNXCESA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001417905384 921694160 /nfs/dbraw/zinc/69/41/60/921694160.db2.gz LZYFJSLXZJTDMD-YPMHNXCESA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001417905384 921694167 /nfs/dbraw/zinc/69/41/67/921694167.db2.gz LZYFJSLXZJTDMD-YPMHNXCESA-N 2 2 280.372 0.304 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)c1nc(C)no1 ZINC001392525822 911876910 /nfs/dbraw/zinc/87/69/10/911876910.db2.gz POZAGRQHQSDGQC-MNOVXSKESA-N 2 2 297.403 0.875 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)c1nc(C)no1 ZINC001392525822 911876926 /nfs/dbraw/zinc/87/69/26/911876926.db2.gz POZAGRQHQSDGQC-MNOVXSKESA-N 2 2 297.403 0.875 20 0 CCADLP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ncc(C)o1)[NH+](C)C ZINC001392571867 911950686 /nfs/dbraw/zinc/95/06/86/911950686.db2.gz BBHAPQBGHTXWHT-CMPLNLGQSA-N 2 2 282.388 0.918 20 0 CCADLP COCC[N@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001392699190 912097718 /nfs/dbraw/zinc/09/77/18/912097718.db2.gz DDEVSEDAOKNNNN-CHWSQXEVSA-N 2 2 282.388 0.917 20 0 CCADLP COCC[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001392699190 912097735 /nfs/dbraw/zinc/09/77/35/912097735.db2.gz DDEVSEDAOKNNNN-CHWSQXEVSA-N 2 2 282.388 0.917 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@@H]2CC[N@H+]2C[C@@H](C)O)c[nH+]1 ZINC001392845034 912196859 /nfs/dbraw/zinc/19/68/59/912196859.db2.gz WDTHKIJKZSWKHN-OLZOCXBDSA-N 2 2 294.399 0.498 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@@H]2CC[N@@H+]2C[C@@H](C)O)c[nH+]1 ZINC001392845034 912196877 /nfs/dbraw/zinc/19/68/77/912196877.db2.gz WDTHKIJKZSWKHN-OLZOCXBDSA-N 2 2 294.399 0.498 20 0 CCADLP C[C@@H](O)CCC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC001339457213 921730739 /nfs/dbraw/zinc/73/07/39/921730739.db2.gz ACPHKZODZRYJFM-OAHLLOKOSA-N 2 2 299.459 0.534 20 0 CCADLP C[C@@H](O)CCC[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC001339457213 921730745 /nfs/dbraw/zinc/73/07/45/921730745.db2.gz ACPHKZODZRYJFM-OAHLLOKOSA-N 2 2 299.459 0.534 20 0 CCADLP C[C@@H](C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)n1cc[nH+]c1 ZINC001328025576 914929917 /nfs/dbraw/zinc/92/99/17/914929917.db2.gz PLFKQXSEQFFIBI-RWMBFGLXSA-N 2 2 262.357 0.997 20 0 CCADLP C[C@@H](C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21)n1cc[nH+]c1 ZINC001328025576 914929922 /nfs/dbraw/zinc/92/99/22/914929922.db2.gz PLFKQXSEQFFIBI-RWMBFGLXSA-N 2 2 262.357 0.997 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001398932547 914962409 /nfs/dbraw/zinc/96/24/09/914962409.db2.gz LYTWXLYANOLXTE-ZWNOBZJWSA-N 2 2 279.388 0.904 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001398932547 914962414 /nfs/dbraw/zinc/96/24/14/914962414.db2.gz LYTWXLYANOLXTE-ZWNOBZJWSA-N 2 2 279.388 0.904 20 0 CCADLP Cc1nonc1C[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001398950695 914969254 /nfs/dbraw/zinc/96/92/54/914969254.db2.gz JFJDHOPPBROWNI-ZWNOBZJWSA-N 2 2 295.387 0.457 20 0 CCADLP Cc1nonc1C[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001398950695 914969268 /nfs/dbraw/zinc/96/92/68/914969268.db2.gz JFJDHOPPBROWNI-ZWNOBZJWSA-N 2 2 295.387 0.457 20 0 CCADLP Cc1noc(C[NH2+][C@H](C)CNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001399127919 915060050 /nfs/dbraw/zinc/06/00/50/915060050.db2.gz WOMKWTUIMKEGGH-SNVBAGLBSA-N 2 2 293.371 0.068 20 0 CCADLP COC[C@H](C)[NH2+]C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001399238709 915087606 /nfs/dbraw/zinc/08/76/06/915087606.db2.gz QKAREBAKHXDUJZ-UONOGXRCSA-N 2 2 294.399 0.746 20 0 CCADLP CC1(C)C[N@H+](CC(=O)N2CC[NH2+]CC2)C(C)(C)CO1 ZINC001328490221 915231753 /nfs/dbraw/zinc/23/17/53/915231753.db2.gz LHYRGRRADNXDGP-UHFFFAOYSA-N 2 2 269.389 0.308 20 0 CCADLP CC1(C)C[N@@H+](CC(=O)N2CC[NH2+]CC2)C(C)(C)CO1 ZINC001328490221 915231768 /nfs/dbraw/zinc/23/17/68/915231768.db2.gz LHYRGRRADNXDGP-UHFFFAOYSA-N 2 2 269.389 0.308 20 0 CCADLP C[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)CC1CCOCC1 ZINC001399575665 915248831 /nfs/dbraw/zinc/24/88/31/915248831.db2.gz BGENXCCUAZDABQ-UHFFFAOYSA-N 2 2 280.372 0.427 20 0 CCADLP C[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)CC1CCOCC1 ZINC001399575665 915248844 /nfs/dbraw/zinc/24/88/44/915248844.db2.gz BGENXCCUAZDABQ-UHFFFAOYSA-N 2 2 280.372 0.427 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[N@H+](C)CC[C@@H]1CCOC1 ZINC001399644208 915285335 /nfs/dbraw/zinc/28/53/35/915285335.db2.gz RBSYEJRBYSJRRG-CYBMUJFWSA-N 2 2 294.399 0.437 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[N@@H+](C)CC[C@@H]1CCOC1 ZINC001399644208 915285352 /nfs/dbraw/zinc/28/53/52/915285352.db2.gz RBSYEJRBYSJRRG-CYBMUJFWSA-N 2 2 294.399 0.437 20 0 CCADLP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+](Cc2nncs2)C1 ZINC001399934640 915455319 /nfs/dbraw/zinc/45/53/19/915455319.db2.gz WJHQYZIGLLQXEL-LLVKDONJSA-N 2 2 297.428 0.428 20 0 CCADLP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+](Cc2nncs2)C1 ZINC001399934640 915455329 /nfs/dbraw/zinc/45/53/29/915455329.db2.gz WJHQYZIGLLQXEL-LLVKDONJSA-N 2 2 297.428 0.428 20 0 CCADLP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](Cc2nncs2)C1 ZINC001399934650 915456533 /nfs/dbraw/zinc/45/65/33/915456533.db2.gz WJHQYZIGLLQXEL-NSHDSACASA-N 2 2 297.428 0.428 20 0 CCADLP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+](Cc2nncs2)C1 ZINC001399934650 915456543 /nfs/dbraw/zinc/45/65/43/915456543.db2.gz WJHQYZIGLLQXEL-NSHDSACASA-N 2 2 297.428 0.428 20 0 CCADLP C[C@H](CCC[NH3+])NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001329108403 915675401 /nfs/dbraw/zinc/67/54/01/915675401.db2.gz WXJNRJWAKDSZTN-MNOVXSKESA-N 2 2 250.346 0.689 20 0 CCADLP C[NH+](C)CC1(C(=O)NC2C[NH+](CCn3cccn3)C2)CC1 ZINC001400398700 915729061 /nfs/dbraw/zinc/72/90/61/915729061.db2.gz PLEQFKWBUQGUCU-UHFFFAOYSA-N 2 2 291.399 0.025 20 0 CCADLP CCC[N@H+](C)CC(=O)NC1C[NH+](CCC[C@H](C)O)C1 ZINC001400427462 915745591 /nfs/dbraw/zinc/74/55/91/915745591.db2.gz DVJQXMKVSCDUPV-LBPRGKRZSA-N 2 2 271.405 0.290 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC1C[NH+](CCC[C@H](C)O)C1 ZINC001400427462 915745603 /nfs/dbraw/zinc/74/56/03/915745603.db2.gz DVJQXMKVSCDUPV-LBPRGKRZSA-N 2 2 271.405 0.290 20 0 CCADLP COC[C@H](C)[NH+]1CC(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001400529768 915793798 /nfs/dbraw/zinc/79/37/98/915793798.db2.gz QPHYTFXWTHDYKC-NEPJUHHUSA-N 2 2 294.399 0.671 20 0 CCADLP [NH3+][C@@H](c1noc([C@H]2C[NH2+]CCO2)n1)c1ccccc1 ZINC001329408563 915892115 /nfs/dbraw/zinc/89/21/15/915892115.db2.gz BVFSMUOQHIYFNU-GHMZBOCLSA-N 2 2 260.297 0.779 20 0 CCADLP Cc1cc(C[NH2+]C[C@H](C)CNC(=O)Cc2c[nH]c[nH+]2)no1 ZINC001401140609 916069012 /nfs/dbraw/zinc/06/90/12/916069012.db2.gz FTZRRMVTSFTVQE-JTQLQIEISA-N 2 2 291.355 0.791 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC001401256578 916150805 /nfs/dbraw/zinc/15/08/05/916150805.db2.gz PNJRDKZQWPCRGW-VXGBXAGGSA-N 2 2 282.388 0.434 20 0 CCADLP C[C@H](C[NH2+]C[C@H]1CCOC1)N(C)C(=O)Cc1c[nH+]cn1C ZINC001401260074 916151262 /nfs/dbraw/zinc/15/12/62/916151262.db2.gz WTPCWDNHSYTJBV-CHWSQXEVSA-N 2 2 294.399 0.436 20 0 CCADLP OC[C@H](CCF)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC001329939962 916298111 /nfs/dbraw/zinc/29/81/11/916298111.db2.gz JRLCFIHBOYUMFA-STQMWFEESA-N 2 2 260.353 0.550 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)C[NH2+]CC1CCCC1 ZINC001401571565 916336142 /nfs/dbraw/zinc/33/61/42/916336142.db2.gz TZMOJWHAHXJZBW-CYBMUJFWSA-N 2 2 294.399 0.518 20 0 CCADLP CC[C@H](C(=O)N[C@H](C)C[N@H+](C)Cc1cnnn1C)[NH+](C)C ZINC001401762129 916573561 /nfs/dbraw/zinc/57/35/61/916573561.db2.gz PPILKFXKJKDYHG-DGCLKSJQSA-N 2 2 296.419 0.092 20 0 CCADLP CC[C@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1cnnn1C)[NH+](C)C ZINC001401762129 916573581 /nfs/dbraw/zinc/57/35/81/916573581.db2.gz PPILKFXKJKDYHG-DGCLKSJQSA-N 2 2 296.419 0.092 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1CC[NH+](CCO)CC1 ZINC001402050089 916775087 /nfs/dbraw/zinc/77/50/87/916775087.db2.gz IKHJNQVMZIIXKR-GFCCVEGCSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1CC[NH+](CCO)CC1 ZINC001402050089 916775105 /nfs/dbraw/zinc/77/51/05/916775105.db2.gz IKHJNQVMZIIXKR-GFCCVEGCSA-N 2 2 294.399 0.503 20 0 CCADLP O=C(NC[C@H]([NH2+]CCO)C1CC1)c1cccc2[nH+]ccn21 ZINC001402322870 916955513 /nfs/dbraw/zinc/95/55/13/916955513.db2.gz HOGXRAKLCGTPDY-LBPRGKRZSA-N 2 2 288.351 0.425 20 0 CCADLP CO[C@H](C)C[N@H+](C)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001402926552 917353182 /nfs/dbraw/zinc/35/31/82/917353182.db2.gz GEQXVOFTTLLLLN-ZIAGYGMSSA-N 2 2 294.399 0.841 20 0 CCADLP CO[C@H](C)C[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001402926552 917353197 /nfs/dbraw/zinc/35/31/97/917353197.db2.gz GEQXVOFTTLLLLN-ZIAGYGMSSA-N 2 2 294.399 0.841 20 0 CCADLP CC(C)C[NH+]1CC(CCO)(NC(=O)C[NH+]2CCCC2)C1 ZINC001403347321 917666870 /nfs/dbraw/zinc/66/68/70/917666870.db2.gz XYJMFAFHKWZLMI-UHFFFAOYSA-N 2 2 283.416 0.291 20 0 CCADLP COCCC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001332033550 917814188 /nfs/dbraw/zinc/81/41/88/917814188.db2.gz VDRRSIIDWILNGG-RYUDHWBXSA-N 2 2 280.372 0.568 20 0 CCADLP CO[C@@H](C)C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001403680612 917916977 /nfs/dbraw/zinc/91/69/77/917916977.db2.gz HABGZQGSXXKCTJ-YNEHKIRRSA-N 2 2 294.399 0.607 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001403680612 917916989 /nfs/dbraw/zinc/91/69/89/917916989.db2.gz HABGZQGSXXKCTJ-YNEHKIRRSA-N 2 2 294.399 0.607 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@@H+](C[C@H](C)O)C1CC1 ZINC001404261061 918261277 /nfs/dbraw/zinc/26/12/77/918261277.db2.gz CJOKEXAIAKVIRX-NEPJUHHUSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@H+](C[C@H](C)O)C1CC1 ZINC001404261061 918261290 /nfs/dbraw/zinc/26/12/90/918261290.db2.gz CJOKEXAIAKVIRX-NEPJUHHUSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@@H+](C[C@H](C)O)C1CC1 ZINC001404261061 918261304 /nfs/dbraw/zinc/26/13/04/918261304.db2.gz CJOKEXAIAKVIRX-NEPJUHHUSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@H+](C[C@H](C)O)C1CC1 ZINC001404261061 918261321 /nfs/dbraw/zinc/26/13/21/918261321.db2.gz CJOKEXAIAKVIRX-NEPJUHHUSA-N 2 2 294.399 0.550 20 0 CCADLP CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001404441396 918348333 /nfs/dbraw/zinc/34/83/33/918348333.db2.gz PTVXMTFHWGMSIG-QWHCGFSZSA-N 2 2 298.431 0.125 20 0 CCADLP CC[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)c1ncccn1)[NH+](C)C ZINC001404467624 918359848 /nfs/dbraw/zinc/35/98/48/918359848.db2.gz OWTINYZLWJPZOU-STQMWFEESA-N 2 2 293.415 0.926 20 0 CCADLP CN(C(=O)CC[NH+]1CCOCC1)[C@@H]1CC[N@H+](CCF)C1 ZINC001405134075 918619837 /nfs/dbraw/zinc/61/98/37/918619837.db2.gz YOPROSMYLIDOTK-CYBMUJFWSA-N 2 2 287.379 0.211 20 0 CCADLP CN(C(=O)CC[NH+]1CCOCC1)[C@@H]1CC[N@@H+](CCF)C1 ZINC001405134075 918619848 /nfs/dbraw/zinc/61/98/48/918619848.db2.gz YOPROSMYLIDOTK-CYBMUJFWSA-N 2 2 287.379 0.211 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001405531813 918790095 /nfs/dbraw/zinc/79/00/95/918790095.db2.gz XWSSNSZJPXYWFF-MGPQQGTHSA-N 2 2 294.399 0.671 20 0 CCADLP Cc1cccnc1C[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001406430007 919255338 /nfs/dbraw/zinc/25/53/38/919255338.db2.gz LUSFSLSRQZXHDZ-CYBMUJFWSA-N 2 2 287.367 0.881 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001406795727 919464061 /nfs/dbraw/zinc/46/40/61/919464061.db2.gz ZATFRZSLUFXMKA-PWSUYJOCSA-N 2 2 280.372 0.472 20 0 CCADLP OCCCOCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001334406491 919557976 /nfs/dbraw/zinc/55/79/76/919557976.db2.gz QWIPBLUFDNVTRC-ZIAGYGMSSA-N 2 2 256.390 0.992 20 0 CCADLP OCCCOCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001334406491 919557985 /nfs/dbraw/zinc/55/79/85/919557985.db2.gz QWIPBLUFDNVTRC-ZIAGYGMSSA-N 2 2 256.390 0.992 20 0 CCADLP COCC[N@@H+]1CCC[C@@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001407286381 919688222 /nfs/dbraw/zinc/68/82/22/919688222.db2.gz ANGHSTLCXZZXLJ-HNNXBMFYSA-N 2 2 294.399 0.748 20 0 CCADLP COCC[N@H+]1CCC[C@@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001407286381 919688244 /nfs/dbraw/zinc/68/82/44/919688244.db2.gz ANGHSTLCXZZXLJ-HNNXBMFYSA-N 2 2 294.399 0.748 20 0 CCADLP O[C@H](C[NH2+]CCCCn1cc[nH+]c1)C[C@@]1(O)CCOC1 ZINC001334765382 919750847 /nfs/dbraw/zinc/75/08/47/919750847.db2.gz VOEVRGTUWKMKHJ-KBPBESRZSA-N 2 2 283.372 0.155 20 0 CCADLP CC(=O)NCC[NH+]1CCC([NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC001407571607 919814977 /nfs/dbraw/zinc/81/49/77/919814977.db2.gz RJCJMGPOGVWNIR-HNNXBMFYSA-N 2 2 297.443 0.992 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1CCO ZINC001408153628 920069699 /nfs/dbraw/zinc/06/96/99/920069699.db2.gz FVWIKYSZFCCEOT-RYUDHWBXSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1CCO ZINC001408153628 920069715 /nfs/dbraw/zinc/06/97/15/920069715.db2.gz FVWIKYSZFCCEOT-RYUDHWBXSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1CCO ZINC001408153628 920069725 /nfs/dbraw/zinc/06/97/25/920069725.db2.gz FVWIKYSZFCCEOT-RYUDHWBXSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1CCO ZINC001408153628 920069743 /nfs/dbraw/zinc/06/97/43/920069743.db2.gz FVWIKYSZFCCEOT-RYUDHWBXSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H]1CN(C(=O)NCCCn2cc[nH+]c2)CC[C@H]1C[NH3+] ZINC001335898255 920501064 /nfs/dbraw/zinc/50/10/64/920501064.db2.gz PKFJFRMMRKINEZ-STQMWFEESA-N 2 2 279.388 0.900 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1C[C@H]1C(F)(F)F)C[NH+]1CCCC1 ZINC001335986690 920544573 /nfs/dbraw/zinc/54/45/73/920544573.db2.gz OQFNKKPFAKGZPK-IVZWLZJFSA-N 2 2 252.280 0.984 20 0 CCADLP [NH3+]C[C@H]1C[C@H](NC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001336085194 920601953 /nfs/dbraw/zinc/60/19/53/920601953.db2.gz ZHSHZSVZCRXOBU-DCAQKATOSA-N 2 2 263.345 0.234 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCCCC[NH3+] ZINC001336893194 921088192 /nfs/dbraw/zinc/08/81/92/921088192.db2.gz JDBTXDRUHSDBSE-LBPRGKRZSA-N 2 2 272.393 0.135 20 0 CCADLP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ncccn1 ZINC001418313891 922014659 /nfs/dbraw/zinc/01/46/59/922014659.db2.gz GNIWHDLUZOOKTG-GFCCVEGCSA-N 2 2 277.372 0.167 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCC[N@@H+](C)C[C@@H](C)O)c[nH+]1 ZINC001418478664 922163192 /nfs/dbraw/zinc/16/31/92/922163192.db2.gz ZBCZETJFTTVIAG-GFCCVEGCSA-N 2 2 282.388 0.355 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCC[N@H+](C)C[C@@H](C)O)c[nH+]1 ZINC001418478664 922163198 /nfs/dbraw/zinc/16/31/98/922163198.db2.gz ZBCZETJFTTVIAG-GFCCVEGCSA-N 2 2 282.388 0.355 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C(=O)NCCCCNc1cccc[nH+]1 ZINC001340845573 922236380 /nfs/dbraw/zinc/23/63/80/922236380.db2.gz QLCPWEPNAWBHTE-CYBMUJFWSA-N 2 2 291.399 0.294 20 0 CCADLP C[NH+](C)[C@@H]1CCCN(C(=O)C[C@@H]([NH3+])C(F)F)CC1 ZINC001340987989 922306733 /nfs/dbraw/zinc/30/67/33/922306733.db2.gz ZPNGFBQSPXZSRY-NXEZZACHSA-N 2 2 263.332 0.912 20 0 CCADLP C[C@]1(C(=O)NCC[NH+]2CCC([NH3+])CC2)CC1(F)F ZINC001341056928 922330333 /nfs/dbraw/zinc/33/03/33/922330333.db2.gz POUKKMCWHQDTDO-LLVKDONJSA-N 2 2 261.316 0.571 20 0 CCADLP C[NH2+]C[C@H](O)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001341493026 922514881 /nfs/dbraw/zinc/51/48/81/922514881.db2.gz OBZZTTRIGUDYRT-LBPRGKRZSA-N 2 2 265.357 0.659 20 0 CCADLP C[NH+](C)CCCC(=O)NC1C[NH+](CCn2cccn2)C1 ZINC001418982369 922539087 /nfs/dbraw/zinc/53/90/87/922539087.db2.gz APIYPOYYVWUSPV-UHFFFAOYSA-N 2 2 279.388 0.025 20 0 CCADLP Cc1sc(C[NH3+])nc1C(=O)NCCn1cc[nH+]c1 ZINC001341629710 922591321 /nfs/dbraw/zinc/59/13/21/922591321.db2.gz JFEOYKDIELXMIK-UHFFFAOYSA-N 2 2 265.342 0.537 20 0 CCADLP [NH3+][C@@H]1C[C@@H](NC(=O)/C=C/C[NH+]2CCOCC2)C12CCC2 ZINC001341656136 922608662 /nfs/dbraw/zinc/60/86/62/922608662.db2.gz OWEXLNBSMWTJRU-FKAUMTQSSA-N 2 2 279.384 0.261 20 0 CCADLP CCN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1CC[N@H+](CCO)C1 ZINC001419169644 922684442 /nfs/dbraw/zinc/68/44/42/922684442.db2.gz VMAOADVDLGSVOO-CYBMUJFWSA-N 2 2 280.372 0.257 20 0 CCADLP CCN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001419169644 922684453 /nfs/dbraw/zinc/68/44/53/922684453.db2.gz VMAOADVDLGSVOO-CYBMUJFWSA-N 2 2 280.372 0.257 20 0 CCADLP CCN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CCO)C1 ZINC001419169644 922684461 /nfs/dbraw/zinc/68/44/61/922684461.db2.gz VMAOADVDLGSVOO-CYBMUJFWSA-N 2 2 280.372 0.257 20 0 CCADLP CCN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001419169644 922684471 /nfs/dbraw/zinc/68/44/71/922684471.db2.gz VMAOADVDLGSVOO-CYBMUJFWSA-N 2 2 280.372 0.257 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001341956561 922737763 /nfs/dbraw/zinc/73/77/63/922737763.db2.gz AQERDIGOTJUPGR-PWSUYJOCSA-N 2 2 266.345 0.165 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001341956561 922737772 /nfs/dbraw/zinc/73/77/72/922737772.db2.gz AQERDIGOTJUPGR-PWSUYJOCSA-N 2 2 266.345 0.165 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@@H](C)[NH2+]C[C@@H](C)O)c[nH+]1 ZINC001419777534 923090692 /nfs/dbraw/zinc/09/06/92/923090692.db2.gz STYBLQXLGUOPNT-ZYHUDNBSSA-N 2 2 282.388 0.402 20 0 CCADLP Cc1conc1C[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001419777676 923092541 /nfs/dbraw/zinc/09/25/41/923092541.db2.gz UMBXPUUIIZUGKJ-GFCCVEGCSA-N 2 2 291.355 0.816 20 0 CCADLP COC[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1CC(C)C ZINC001342901240 923128834 /nfs/dbraw/zinc/12/88/34/923128834.db2.gz BCHCFHGJJHHFJM-RYUDHWBXSA-N 2 2 257.378 0.149 20 0 CCADLP Cc1cn2cc(NC(=O)[C@@H]([NH3+])C(C)(C)O)ccc2[nH+]1 ZINC001343422317 923310806 /nfs/dbraw/zinc/31/08/06/923310806.db2.gz ZQLGVIUNJRLJIB-LLVKDONJSA-N 2 2 262.313 0.679 20 0 CCADLP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001343706915 923432831 /nfs/dbraw/zinc/43/28/31/923432831.db2.gz FQPCXVRLLBCOSI-VXGBXAGGSA-N 2 2 250.346 0.872 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)CC[NH2+]CC1CC1 ZINC001344811504 923692750 /nfs/dbraw/zinc/69/27/50/923692750.db2.gz BHEATQQHBGMZQH-AWEZNQCLSA-N 2 2 283.416 0.603 20 0 CCADLP COCC[N@H+](C)C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001420607604 923820742 /nfs/dbraw/zinc/82/07/42/923820742.db2.gz ABDPEYVZCMQDKP-GFCCVEGCSA-N 2 2 282.388 0.436 20 0 CCADLP COCC[N@@H+](C)C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001420607604 923820759 /nfs/dbraw/zinc/82/07/59/923820759.db2.gz ABDPEYVZCMQDKP-GFCCVEGCSA-N 2 2 282.388 0.436 20 0 CCADLP C[N@H+](C[C@H]1CCCS(=O)(=O)C1)C1CC[NH2+]CC1 ZINC001346015402 924043217 /nfs/dbraw/zinc/04/32/17/924043217.db2.gz VASULDURRIMCHP-LLVKDONJSA-N 2 2 260.403 0.495 20 0 CCADLP C[N@@H+](C[C@H]1CCCS(=O)(=O)C1)C1CC[NH2+]CC1 ZINC001346015402 924043231 /nfs/dbraw/zinc/04/32/31/924043231.db2.gz VASULDURRIMCHP-LLVKDONJSA-N 2 2 260.403 0.495 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001421002870 924088072 /nfs/dbraw/zinc/08/80/72/924088072.db2.gz QVHKVLUWJSXNCJ-OLZOCXBDSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001421002870 924088082 /nfs/dbraw/zinc/08/80/82/924088082.db2.gz QVHKVLUWJSXNCJ-OLZOCXBDSA-N 2 2 280.372 0.235 20 0 CCADLP CC[N@H+](C)CCC(=O)NC1C[NH+](C[C@H]2CC[C@@H](C)O2)C1 ZINC001421084393 924142350 /nfs/dbraw/zinc/14/23/50/924142350.db2.gz OTGXEDGKGLKOFA-TZMCWYRMSA-N 2 2 283.416 0.696 20 0 CCADLP CC[N@@H+](C)CCC(=O)NC1C[NH+](C[C@H]2CC[C@@H](C)O2)C1 ZINC001421084393 924142356 /nfs/dbraw/zinc/14/23/56/924142356.db2.gz OTGXEDGKGLKOFA-TZMCWYRMSA-N 2 2 283.416 0.696 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@](C)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001421225846 924226027 /nfs/dbraw/zinc/22/60/27/924226027.db2.gz RVSGBKLQANYRHI-NHYWBVRUSA-N 2 2 294.399 0.876 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@](C)(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001421225846 924226038 /nfs/dbraw/zinc/22/60/38/924226038.db2.gz RVSGBKLQANYRHI-NHYWBVRUSA-N 2 2 294.399 0.876 20 0 CCADLP C[NH+](C)Cc1nc(CNC(=O)[C@H]2CC[N@H+](C)C2)co1 ZINC001347449193 924450286 /nfs/dbraw/zinc/45/02/86/924450286.db2.gz OZORQSANYMRAQN-JTQLQIEISA-N 2 2 266.345 0.304 20 0 CCADLP C[NH+](C)Cc1nc(CNC(=O)[C@H]2CC[N@@H+](C)C2)co1 ZINC001347449193 924450288 /nfs/dbraw/zinc/45/02/88/924450288.db2.gz OZORQSANYMRAQN-JTQLQIEISA-N 2 2 266.345 0.304 20 0 CCADLP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001348052768 924586846 /nfs/dbraw/zinc/58/68/46/924586846.db2.gz UEMHPHQMYLTWTI-IQLKVPPVSA-N 2 2 260.341 0.395 20 0 CCADLP CC[N@@H+]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001349368722 924940872 /nfs/dbraw/zinc/94/08/72/924940872.db2.gz NWOROMFXQXAEFH-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP CC[N@H+]1CCN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001349368722 924940880 /nfs/dbraw/zinc/94/08/80/924940880.db2.gz NWOROMFXQXAEFH-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP C[C@H]1COCCN1CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC001350953919 925320876 /nfs/dbraw/zinc/32/08/76/925320876.db2.gz ADVHUMNBROLWFZ-STQMWFEESA-N 2 2 253.390 0.581 20 0 CCADLP [NH3+]CCOCc1cn(Cc2[nH+]ccn2CC(F)F)nn1 ZINC001352992293 925693140 /nfs/dbraw/zinc/69/31/40/925693140.db2.gz LPNZCGFNRQVYEX-UHFFFAOYSA-N 2 2 286.286 0.263 20 0 CCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)CNCC[NH3+])CC1 ZINC001353773185 925929492 /nfs/dbraw/zinc/92/94/92/925929492.db2.gz HKMJSLPXRMAXJZ-GFCCVEGCSA-N 2 2 296.440 0.502 20 0 CCADLP CC(C)(C(=O)N1CC[C@H]([NH+]2CCC2)C1)c1c[nH+]c[nH]1 ZINC001354103131 926016910 /nfs/dbraw/zinc/01/69/10/926016910.db2.gz LVAQYCSLPKNGJJ-NSHDSACASA-N 2 2 262.357 0.994 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)[C@@H]2CC2(Cl)Cl)CC1 ZINC001354770891 926162985 /nfs/dbraw/zinc/16/29/85/926162985.db2.gz JKIZXHFTBYCMGA-VIFPVBQESA-N 2 2 280.199 0.720 20 0 CCADLP O=C(/C=C\C[NH+]1CCOCC1)NC[C@@H]1CCCCC[NH2+]1 ZINC001355520467 926276640 /nfs/dbraw/zinc/27/66/40/926276640.db2.gz MTTQKMRYMMMNJG-SDQPKGBYSA-N 2 2 281.400 0.523 20 0 CCADLP CC(C)[C@@H](C[NH+](C)C)[NH2+]C[C@H](O)C1(O)CCCC1 ZINC001357243855 926500718 /nfs/dbraw/zinc/50/07/18/926500718.db2.gz VMBBYZIZHMQPPD-OLZOCXBDSA-N 2 2 258.406 0.828 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC001357452910 926534008 /nfs/dbraw/zinc/53/40/08/926534008.db2.gz ICPXGSUXLDDMMF-MNOVXSKESA-N 2 2 250.346 0.847 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC001357452910 926534013 /nfs/dbraw/zinc/53/40/13/926534013.db2.gz ICPXGSUXLDDMMF-MNOVXSKESA-N 2 2 250.346 0.847 20 0 CCADLP CC[C@H](C(=O)NC[C@H]1COCC[N@@H+]1CC(C)C)[NH+](C)C ZINC001421702593 926864440 /nfs/dbraw/zinc/86/44/40/926864440.db2.gz HZBSXJBSMFOSMT-UONOGXRCSA-N 2 2 285.432 0.800 20 0 CCADLP CC[C@H](C(=O)NC[C@H]1COCC[N@H+]1CC(C)C)[NH+](C)C ZINC001421702593 926864447 /nfs/dbraw/zinc/86/44/47/926864447.db2.gz HZBSXJBSMFOSMT-UONOGXRCSA-N 2 2 285.432 0.800 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCCN(CC(=O)N(C)C)CC1 ZINC001414044647 926897312 /nfs/dbraw/zinc/89/73/12/926897312.db2.gz JZNBYBAMNFHNQC-UHFFFAOYSA-N 2 2 293.415 0.287 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCCN(CC(=O)N(C)C)CC1 ZINC001414044647 926897321 /nfs/dbraw/zinc/89/73/21/926897321.db2.gz JZNBYBAMNFHNQC-UHFFFAOYSA-N 2 2 293.415 0.287 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC1([NH2+]C[C@H]2CCOC2)CCC1 ZINC001421778374 926907014 /nfs/dbraw/zinc/90/70/14/926907014.db2.gz XIUOLHIBKHZGRD-GFCCVEGCSA-N 2 2 292.383 0.617 20 0 CCADLP CN(CC[N@H+](C)Cc1cnnn1C)C(=O)CCC[NH+](C)C ZINC001422189583 927134659 /nfs/dbraw/zinc/13/46/59/927134659.db2.gz BCKVEPJZMXPXPS-UHFFFAOYSA-N 2 2 296.419 0.047 20 0 CCADLP CN(CC[N@@H+](C)Cc1cnnn1C)C(=O)CCC[NH+](C)C ZINC001422189583 927134669 /nfs/dbraw/zinc/13/46/69/927134669.db2.gz BCKVEPJZMXPXPS-UHFFFAOYSA-N 2 2 296.419 0.047 20 0 CCADLP C[C@@H](O)C[NH2+]CC1CC(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001422274139 927187187 /nfs/dbraw/zinc/18/71/87/927187187.db2.gz KGZIDGWVIGKLKQ-PNESKVBLSA-N 2 2 294.399 0.218 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001361829158 927364786 /nfs/dbraw/zinc/36/47/86/927364786.db2.gz LFKIIIRFGCYJOY-YNEHKIRRSA-N 2 2 280.372 0.233 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC001361829158 927364797 /nfs/dbraw/zinc/36/47/97/927364797.db2.gz LFKIIIRFGCYJOY-YNEHKIRRSA-N 2 2 280.372 0.233 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)C[C@H]1CCCCO1 ZINC001422568428 927373596 /nfs/dbraw/zinc/37/35/96/927373596.db2.gz CIOGKCPLRBQPJH-QWHCGFSZSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)C[C@H]1CCCCO1 ZINC001422568428 927373606 /nfs/dbraw/zinc/37/36/06/927373606.db2.gz CIOGKCPLRBQPJH-QWHCGFSZSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)C[C@H]1CCCCO1 ZINC001422568419 927376770 /nfs/dbraw/zinc/37/67/70/927376770.db2.gz CIOGKCPLRBQPJH-CHWSQXEVSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)C[C@H]1CCCCO1 ZINC001422568419 927376783 /nfs/dbraw/zinc/37/67/83/927376783.db2.gz CIOGKCPLRBQPJH-CHWSQXEVSA-N 2 2 294.399 0.958 20 0 CCADLP Cc1noc(C)c1C[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001422757514 927490917 /nfs/dbraw/zinc/49/09/17/927490917.db2.gz KCQGHVWDAMOHKJ-JTQLQIEISA-N 2 2 291.355 0.782 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC(N)=O ZINC001422850633 927548793 /nfs/dbraw/zinc/54/87/93/927548793.db2.gz JJWHHLNUOMGYDC-STQMWFEESA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC(N)=O ZINC001422850633 927548798 /nfs/dbraw/zinc/54/87/98/927548798.db2.gz JJWHHLNUOMGYDC-STQMWFEESA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CC(N)=O ZINC001422850633 927548816 /nfs/dbraw/zinc/54/88/16/927548816.db2.gz JJWHHLNUOMGYDC-STQMWFEESA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC(N)=O ZINC001422850633 927548825 /nfs/dbraw/zinc/54/88/25/927548825.db2.gz JJWHHLNUOMGYDC-STQMWFEESA-N 2 2 298.431 0.029 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001423064190 927654787 /nfs/dbraw/zinc/65/47/87/927654787.db2.gz WDHVBLAIYONIFL-AAEUAGOBSA-N 2 2 280.372 0.402 20 0 CCADLP CC[NH+](CC)CC(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001362198930 927721171 /nfs/dbraw/zinc/72/11/71/927721171.db2.gz IWHMBVUGJVMXCD-ZDUSSCGKSA-N 2 2 297.399 0.224 20 0 CCADLP CC[N@@H+]1CC[C@H]1C(=O)N1CC[NH+](CCC(=O)OC)C[C@H]1C ZINC001362295702 927840038 /nfs/dbraw/zinc/84/00/38/927840038.db2.gz OXJYKULXEDCLDI-OLZOCXBDSA-N 2 2 297.399 0.176 20 0 CCADLP CC[N@H+]1CC[C@H]1C(=O)N1CC[NH+](CCC(=O)OC)C[C@H]1C ZINC001362295702 927840056 /nfs/dbraw/zinc/84/00/56/927840056.db2.gz OXJYKULXEDCLDI-OLZOCXBDSA-N 2 2 297.399 0.176 20 0 CCADLP CC[NH+]1CC[C@H]1C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC001362295702 927840067 /nfs/dbraw/zinc/84/00/67/927840067.db2.gz OXJYKULXEDCLDI-OLZOCXBDSA-N 2 2 297.399 0.176 20 0 CCADLP CC[NH+]1CC[C@H]1C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC001362295702 927840079 /nfs/dbraw/zinc/84/00/79/927840079.db2.gz OXJYKULXEDCLDI-OLZOCXBDSA-N 2 2 297.399 0.176 20 0 CCADLP CO[C@@H](C)C[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001423695635 927959789 /nfs/dbraw/zinc/95/97/89/927959789.db2.gz NRVALYMOZQOUIU-HIFPTAJRSA-N 2 2 280.372 0.497 20 0 CCADLP CC[N@@H+]1CC[C@H]1C(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC001362468726 928057549 /nfs/dbraw/zinc/05/75/49/928057549.db2.gz LYWGOQVRNRUVJQ-LBPRGKRZSA-N 2 2 277.372 0.163 20 0 CCADLP CC[N@H+]1CC[C@H]1C(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC001362468726 928057562 /nfs/dbraw/zinc/05/75/62/928057562.db2.gz LYWGOQVRNRUVJQ-LBPRGKRZSA-N 2 2 277.372 0.163 20 0 CCADLP CC(C)[NH2+]CCN(CCO)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001424044394 928075744 /nfs/dbraw/zinc/07/57/44/928075744.db2.gz OCVYBPZNCFYNPF-CYBMUJFWSA-N 2 2 294.399 0.264 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3cnon3)CCC2)C1 ZINC001424211734 928127263 /nfs/dbraw/zinc/12/72/63/928127263.db2.gz BDPSPHHWMOGKSK-LLVKDONJSA-N 2 2 293.371 0.150 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]Cc3cnon3)CCC2)C1 ZINC001424211734 928127272 /nfs/dbraw/zinc/12/72/72/928127272.db2.gz BDPSPHHWMOGKSK-LLVKDONJSA-N 2 2 293.371 0.150 20 0 CCADLP C[C@H](O)C[N@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001424717272 928264595 /nfs/dbraw/zinc/26/45/95/928264595.db2.gz VAHWIRBHAIAQNS-WCQYABFASA-N 2 2 280.372 0.256 20 0 CCADLP C[C@H](O)C[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001424717272 928264604 /nfs/dbraw/zinc/26/46/04/928264604.db2.gz VAHWIRBHAIAQNS-WCQYABFASA-N 2 2 280.372 0.256 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC001362660916 928321199 /nfs/dbraw/zinc/32/11/99/928321199.db2.gz PWJHWCNYQOHZPD-HZSPNIEDSA-N 2 2 285.432 0.800 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC001362660916 928321210 /nfs/dbraw/zinc/32/12/10/928321210.db2.gz PWJHWCNYQOHZPD-HZSPNIEDSA-N 2 2 285.432 0.800 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001425685452 928623943 /nfs/dbraw/zinc/62/39/43/928623943.db2.gz UMBBMLJHBSZTLG-NWDGAFQWSA-N 2 2 282.388 0.434 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC001362917159 928651071 /nfs/dbraw/zinc/65/10/71/928651071.db2.gz MSSFTKDTUDGLCG-XQQFMLRXSA-N 2 2 283.441 0.777 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC001362917159 928651079 /nfs/dbraw/zinc/65/10/79/928651079.db2.gz MSSFTKDTUDGLCG-XQQFMLRXSA-N 2 2 283.441 0.777 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001362917159 928651083 /nfs/dbraw/zinc/65/10/83/928651083.db2.gz MSSFTKDTUDGLCG-XQQFMLRXSA-N 2 2 283.441 0.777 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001362917159 928651093 /nfs/dbraw/zinc/65/10/93/928651093.db2.gz MSSFTKDTUDGLCG-XQQFMLRXSA-N 2 2 283.441 0.777 20 0 CCADLP CC(C)CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001425761249 928659226 /nfs/dbraw/zinc/65/92/26/928659226.db2.gz LAHUTVKLYUKYMX-JHJVBQTASA-N 2 2 294.399 0.626 20 0 CCADLP CC(C)CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001425761249 928659234 /nfs/dbraw/zinc/65/92/34/928659234.db2.gz LAHUTVKLYUKYMX-JHJVBQTASA-N 2 2 294.399 0.626 20 0 CCADLP C[N@H+](CC(=O)N[C@@H]1CCn2c[nH+]cc21)[C@@H]1CCC[C@H]1O ZINC001363315118 929106686 /nfs/dbraw/zinc/10/66/86/929106686.db2.gz NHISDRPZBICMEF-NQBHXWOUSA-N 2 2 278.356 0.289 20 0 CCADLP C[N@@H+](CC(=O)N[C@@H]1CCn2c[nH+]cc21)[C@@H]1CCC[C@H]1O ZINC001363315118 929106690 /nfs/dbraw/zinc/10/66/90/929106690.db2.gz NHISDRPZBICMEF-NQBHXWOUSA-N 2 2 278.356 0.289 20 0 CCADLP CC[N@H+](C)CCC(=O)NC1C[NH+](C[C@@H]2CCCCO2)C1 ZINC001443523136 929637059 /nfs/dbraw/zinc/63/70/59/929637059.db2.gz CVOCQNMHSLCLHR-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP CC[N@@H+](C)CCC(=O)NC1C[NH+](C[C@@H]2CCCCO2)C1 ZINC001443523136 929637064 /nfs/dbraw/zinc/63/70/64/929637064.db2.gz CVOCQNMHSLCLHR-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP CCN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@H+](CCCO)C1 ZINC001443884660 929728857 /nfs/dbraw/zinc/72/88/57/929728857.db2.gz PITILDWBLAQGJS-CYBMUJFWSA-N 2 2 294.399 0.268 20 0 CCADLP CCN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001443884660 929728866 /nfs/dbraw/zinc/72/88/66/929728866.db2.gz PITILDWBLAQGJS-CYBMUJFWSA-N 2 2 294.399 0.268 20 0 CCADLP CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001444397133 929860691 /nfs/dbraw/zinc/86/06/91/929860691.db2.gz VSBSWMDCDPGWAN-HIFRSBDPSA-N 2 2 297.443 0.992 20 0 CCADLP CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001444397133 929860702 /nfs/dbraw/zinc/86/07/02/929860702.db2.gz VSBSWMDCDPGWAN-HIFRSBDPSA-N 2 2 297.443 0.992 20 0 CCADLP Cc1cnc(C[N@@H+](C)CCN(C)C(=O)CC[NH+](C)C)cn1 ZINC001445024447 930006341 /nfs/dbraw/zinc/00/63/41/930006341.db2.gz BUFGHQGTKVZOQY-UHFFFAOYSA-N 2 2 293.415 0.627 20 0 CCADLP Cc1cnc(C[N@H+](C)CCN(C)C(=O)CC[NH+](C)C)cn1 ZINC001445024447 930006351 /nfs/dbraw/zinc/00/63/51/930006351.db2.gz BUFGHQGTKVZOQY-UHFFFAOYSA-N 2 2 293.415 0.627 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC1C[NH+](CCCF)C1 ZINC001373482734 930212494 /nfs/dbraw/zinc/21/24/94/930212494.db2.gz USLLITBTDMSPME-LBPRGKRZSA-N 2 2 287.379 0.115 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1C[NH+](CCOC2CCC2)C1 ZINC001373559163 930241521 /nfs/dbraw/zinc/24/15/21/930241521.db2.gz KQEXXTREHUYKIJ-UHFFFAOYSA-N 2 2 292.383 0.500 20 0 CCADLP CN(C(=O)CCn1cc[nH+]c1)[C@H]1CC[N@H+](CCCO)C1 ZINC001373679015 930295202 /nfs/dbraw/zinc/29/52/02/930295202.db2.gz RPBSHQHTYRUALP-ZDUSSCGKSA-N 2 2 280.372 0.188 20 0 CCADLP CN(C(=O)CCn1cc[nH+]c1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001373679015 930295206 /nfs/dbraw/zinc/29/52/06/930295206.db2.gz RPBSHQHTYRUALP-ZDUSSCGKSA-N 2 2 280.372 0.188 20 0 CCADLP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)CC[NH+](C)C)C2)no1 ZINC001373680933 930298193 /nfs/dbraw/zinc/29/81/93/930298193.db2.gz PUAQWCGLIYBNMH-AWEZNQCLSA-N 2 2 294.399 0.967 20 0 CCADLP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)CC[NH+](C)C)C2)no1 ZINC001373680933 930298203 /nfs/dbraw/zinc/29/82/03/930298203.db2.gz PUAQWCGLIYBNMH-AWEZNQCLSA-N 2 2 294.399 0.967 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@@H+]1CC[C@@H]1CCCO1 ZINC001446113971 930336838 /nfs/dbraw/zinc/33/68/38/930336838.db2.gz BIZSDIQEPUGMLN-KBPBESRZSA-N 2 2 292.383 0.643 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@H+]1CC[C@@H]1CCCO1 ZINC001446113971 930336847 /nfs/dbraw/zinc/33/68/47/930336847.db2.gz BIZSDIQEPUGMLN-KBPBESRZSA-N 2 2 292.383 0.643 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001446128324 930342889 /nfs/dbraw/zinc/34/28/89/930342889.db2.gz ZIHGFVZLAUGFRA-QWHCGFSZSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001446128324 930342896 /nfs/dbraw/zinc/34/28/96/930342896.db2.gz ZIHGFVZLAUGFRA-QWHCGFSZSA-N 2 2 280.372 0.235 20 0 CCADLP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]C[C@H]1CCCOC1 ZINC001373809347 930350541 /nfs/dbraw/zinc/35/05/41/930350541.db2.gz GQNIOJGHYBUCON-OLZOCXBDSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]Cc1cnn(C)c1 ZINC001374080718 930418594 /nfs/dbraw/zinc/41/85/94/930418594.db2.gz QTQIBLGSVZIPKM-NSHDSACASA-N 2 2 290.371 0.228 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001374231263 930461637 /nfs/dbraw/zinc/46/16/37/930461637.db2.gz DIOPEZMHJLPPAM-NWDGAFQWSA-N 2 2 282.388 0.814 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001374231263 930461646 /nfs/dbraw/zinc/46/16/46/930461646.db2.gz DIOPEZMHJLPPAM-NWDGAFQWSA-N 2 2 282.388 0.814 20 0 CCADLP CC[C@@H](F)C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001374833445 930685537 /nfs/dbraw/zinc/68/55/37/930685537.db2.gz NXNRUQHRMVZGEL-GHMZBOCLSA-N 2 2 270.352 0.805 20 0 CCADLP Cc1cccnc1C[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001374983570 930743810 /nfs/dbraw/zinc/74/38/10/930743810.db2.gz LUSFSLSRQZXHDZ-ZDUSSCGKSA-N 2 2 287.367 0.881 20 0 CCADLP C[C@H](O)C[NH2+]CC(C)(C)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001447966047 930765356 /nfs/dbraw/zinc/76/53/56/930765356.db2.gz LRJXGMYXTWYBOA-ZDUSSCGKSA-N 2 2 296.415 0.728 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H](NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001375240675 930825719 /nfs/dbraw/zinc/82/57/19/930825719.db2.gz JZVQYWYYLIKSCK-YPMHNXCESA-N 2 2 280.372 0.138 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC1(CCO)C[NH+](CCC2CC2)C1 ZINC001448208096 930850811 /nfs/dbraw/zinc/85/08/11/930850811.db2.gz HSAFHCVRFRRKRC-UHFFFAOYSA-N 2 2 292.383 0.236 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]([NH2+]CCO)C(C)C ZINC001448561571 930918104 /nfs/dbraw/zinc/91/81/04/930918104.db2.gz NGVKXXJJNMROGF-GFCCVEGCSA-N 2 2 282.388 0.373 20 0 CCADLP COC[C@H](C)[NH+]1CCC(C)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001375782302 930975882 /nfs/dbraw/zinc/97/58/82/930975882.db2.gz LHQAQLGNYIVIGX-ZDUSSCGKSA-N 2 2 294.399 0.889 20 0 CCADLP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2cnn(C)c2)C1)[NH+](C)C ZINC001376155275 931073287 /nfs/dbraw/zinc/07/32/87/931073287.db2.gz AODNPWRUJJKKMH-UONOGXRCSA-N 2 2 293.415 0.451 20 0 CCADLP CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2cnn(C)c2)C1)[NH+](C)C ZINC001376155275 931073298 /nfs/dbraw/zinc/07/32/98/931073298.db2.gz AODNPWRUJJKKMH-UONOGXRCSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1nncs1 ZINC001376815534 931289371 /nfs/dbraw/zinc/28/93/71/931289371.db2.gz YCEOUCDMQNQWDH-SECBINFHSA-N 2 2 271.390 0.084 20 0 CCADLP C[C@@H]1CCN(C(=O)C[NH+](C)C)C[C@@H]1n1cc[nH+]c1 ZINC000124370277 187134614 /nfs/dbraw/zinc/13/46/14/187134614.db2.gz YPLUDEFUVBCVTN-NEPJUHHUSA-N 2 2 250.346 0.854 20 0 CCADLP c1[nH]nc2c1C[NH+](CCC[N@@H+]1CCc3n[nH]cc3C1)CC2 ZINC000091077710 349449894 /nfs/dbraw/zinc/44/98/94/349449894.db2.gz YMVLBFWTLYEBMA-UHFFFAOYSA-N 2 2 286.383 0.939 20 0 CCADLP c1[nH]nc2c1C[NH+](CCC[N@H+]1CCc3n[nH]cc3C1)CC2 ZINC000091077710 349449895 /nfs/dbraw/zinc/44/98/95/349449895.db2.gz YMVLBFWTLYEBMA-UHFFFAOYSA-N 2 2 286.383 0.939 20 0 CCADLP COC[C@H](O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000127636226 187323076 /nfs/dbraw/zinc/32/30/76/187323076.db2.gz QCPWQIPJGKKUSR-YPMHNXCESA-N 2 2 252.314 0.542 20 0 CCADLP COC[C@H](O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000127636226 187323078 /nfs/dbraw/zinc/32/30/78/187323078.db2.gz QCPWQIPJGKKUSR-YPMHNXCESA-N 2 2 252.314 0.542 20 0 CCADLP CS(=O)(=O)[C@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000337447532 214087194 /nfs/dbraw/zinc/08/71/94/214087194.db2.gz JENCYNYXJDQAHC-NSHDSACASA-N 2 2 257.359 0.392 20 0 CCADLP CS(=O)(=O)[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000337447532 214087197 /nfs/dbraw/zinc/08/71/97/214087197.db2.gz JENCYNYXJDQAHC-NSHDSACASA-N 2 2 257.359 0.392 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)[nH]1 ZINC000093085996 349524601 /nfs/dbraw/zinc/52/46/01/349524601.db2.gz RVAUJFQGLAEXSE-CHWSQXEVSA-N 2 2 293.367 0.754 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)[nH]1 ZINC000093085996 349524603 /nfs/dbraw/zinc/52/46/03/349524603.db2.gz RVAUJFQGLAEXSE-CHWSQXEVSA-N 2 2 293.367 0.754 20 0 CCADLP CC[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccn1 ZINC000093189260 349529427 /nfs/dbraw/zinc/52/94/27/349529427.db2.gz OPWSYGSXOSXYAX-UHFFFAOYSA-N 2 2 276.384 0.678 20 0 CCADLP CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccn1 ZINC000093189260 349529430 /nfs/dbraw/zinc/52/94/30/349529430.db2.gz OPWSYGSXOSXYAX-UHFFFAOYSA-N 2 2 276.384 0.678 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC000093176399 349529711 /nfs/dbraw/zinc/52/97/11/349529711.db2.gz MRDJOCZYMVVRSP-TXEJJXNPSA-N 2 2 251.374 0.348 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC000093176399 349529715 /nfs/dbraw/zinc/52/97/15/349529715.db2.gz MRDJOCZYMVVRSP-TXEJJXNPSA-N 2 2 251.374 0.348 20 0 CCADLP Cc1ccc(NCCCNC(=O)C[NH+](C)C)[nH+]c1 ZINC000127798961 187333664 /nfs/dbraw/zinc/33/36/64/187333664.db2.gz JRRAZXDHBQTFJM-UHFFFAOYSA-N 2 2 250.346 0.870 20 0 CCADLP COC(=O)[C@@H](C)C[N@H+](CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000093170940 349528563 /nfs/dbraw/zinc/52/85/63/349528563.db2.gz CHFQQGWBVQOODT-LBPRGKRZSA-N 2 2 297.399 0.034 20 0 CCADLP COC(=O)[C@@H](C)C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000093170940 349528567 /nfs/dbraw/zinc/52/85/67/349528567.db2.gz CHFQQGWBVQOODT-LBPRGKRZSA-N 2 2 297.399 0.034 20 0 CCADLP COCC1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000093173712 349530003 /nfs/dbraw/zinc/53/00/03/349530003.db2.gz ZXGLPVIMSCZMQR-UHFFFAOYSA-N 2 2 269.389 0.119 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCOCC23CCC3)CC1 ZINC000093204083 349531245 /nfs/dbraw/zinc/53/12/45/349531245.db2.gz GRHWZKSMBZNPST-UHFFFAOYSA-N 2 2 267.373 0.015 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCOCC23CCC3)CC1 ZINC000093204083 349531247 /nfs/dbraw/zinc/53/12/47/349531247.db2.gz GRHWZKSMBZNPST-UHFFFAOYSA-N 2 2 267.373 0.015 20 0 CCADLP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CCO1 ZINC000328938427 282125166 /nfs/dbraw/zinc/12/51/66/282125166.db2.gz GSNCOYGHAVFQMY-TZMCWYRMSA-N 2 2 292.383 0.235 20 0 CCADLP CCN(C(=O)CCc1[nH]cc[nH+]1)[C@H]1CC[N@H+](C)C1 ZINC000617550750 365671557 /nfs/dbraw/zinc/67/15/57/365671557.db2.gz BXSZGSLYZZKOGT-NSHDSACASA-N 2 2 250.346 0.895 20 0 CCADLP CCN(C(=O)CCc1[nH]cc[nH+]1)[C@H]1CC[N@@H+](C)C1 ZINC000617550750 365671566 /nfs/dbraw/zinc/67/15/66/365671566.db2.gz BXSZGSLYZZKOGT-NSHDSACASA-N 2 2 250.346 0.895 20 0 CCADLP NC(=O)c1csc(C[NH2+]CCn2cc[nH+]c2)c1 ZINC000093687575 349550409 /nfs/dbraw/zinc/55/04/09/349550409.db2.gz UCTRPKSWTNHTFD-UHFFFAOYSA-N 2 2 250.327 0.833 20 0 CCADLP Cc1cc(=O)n2nc(C[N@@H+](C)CC(C)(C)C[NH3+])sc2n1 ZINC000093874092 349555223 /nfs/dbraw/zinc/55/52/23/349555223.db2.gz GSFKHVVOZQBMEV-UHFFFAOYSA-N 2 2 295.412 0.876 20 0 CCADLP Cc1cc(=O)n2nc(C[N@H+](C)CC(C)(C)C[NH3+])sc2n1 ZINC000093874092 349555225 /nfs/dbraw/zinc/55/52/25/349555225.db2.gz GSFKHVVOZQBMEV-UHFFFAOYSA-N 2 2 295.412 0.876 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@H]2CCCC[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000423877324 529377302 /nfs/dbraw/zinc/37/73/02/529377302.db2.gz OWYXWGXRXJZZGQ-RBSFLKMASA-N 2 2 295.427 0.698 20 0 CCADLP OCCOCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000095428236 349609990 /nfs/dbraw/zinc/60/99/90/349609990.db2.gz GMPOJZIVWROWFP-ZDUSSCGKSA-N 2 2 252.314 0.544 20 0 CCADLP OCCOCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000095428236 349609991 /nfs/dbraw/zinc/60/99/91/349609991.db2.gz GMPOJZIVWROWFP-ZDUSSCGKSA-N 2 2 252.314 0.544 20 0 CCADLP [NH3+][C@@H]1CC[C@@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000097092404 349626626 /nfs/dbraw/zinc/62/66/26/349626626.db2.gz PTSVFWYCGGZTQR-CHWSQXEVSA-N 2 2 274.368 0.858 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC000600474880 361988964 /nfs/dbraw/zinc/98/89/64/361988964.db2.gz LYWAXMCUAXIWEA-CYBMUJFWSA-N 2 2 279.388 0.025 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC000600474880 361988969 /nfs/dbraw/zinc/98/89/69/361988969.db2.gz LYWAXMCUAXIWEA-CYBMUJFWSA-N 2 2 279.388 0.025 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC1CC[NH+](C)CC1 ZINC000101761973 349669354 /nfs/dbraw/zinc/66/93/54/349669354.db2.gz KZLIIZQBPSKXFK-GFCCVEGCSA-N 2 2 279.388 0.913 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)NCC[NH3+])c1c(F)cccc1F ZINC000417661910 282175594 /nfs/dbraw/zinc/17/55/94/282175594.db2.gz QRHVHVHCTGMAEL-NSHDSACASA-N 2 2 286.326 0.825 20 0 CCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C)CC2 ZINC000518543114 282181473 /nfs/dbraw/zinc/18/14/73/282181473.db2.gz BRBFXGRSNSIUNZ-WCQYABFASA-N 2 2 276.384 0.916 20 0 CCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1C)CC2 ZINC000518543114 282181474 /nfs/dbraw/zinc/18/14/74/282181474.db2.gz BRBFXGRSNSIUNZ-WCQYABFASA-N 2 2 276.384 0.916 20 0 CCADLP CCOC(=O)CC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000103230734 349693849 /nfs/dbraw/zinc/69/38/49/349693849.db2.gz MFRMCOFDASZIHB-UHFFFAOYSA-N 2 2 297.399 0.180 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)NC[C@@H](C)C[NH2+]C ZINC000493565474 529553540 /nfs/dbraw/zinc/55/35/40/529553540.db2.gz YEKSHRMMFHAFHC-QRGHLMKCSA-N 2 2 250.346 0.888 20 0 CCADLP CN(C(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000107576095 349738563 /nfs/dbraw/zinc/73/85/63/349738563.db2.gz XNDGZYRWUHMSSV-STQMWFEESA-N 2 2 265.401 0.929 20 0 CCADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCc2ccccc2C1 ZINC000107575567 349738930 /nfs/dbraw/zinc/73/89/30/349738930.db2.gz UQQQHKPJBVWOAA-HOTGVXAUSA-N 2 2 285.391 0.723 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NCC[N@H+](C)CCOC ZINC000454439018 529588103 /nfs/dbraw/zinc/58/81/03/529588103.db2.gz OLNWBLMKUHYMIC-GFCCVEGCSA-N 2 2 297.403 0.841 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NCC[N@@H+](C)CCOC ZINC000454439018 529588105 /nfs/dbraw/zinc/58/81/05/529588105.db2.gz OLNWBLMKUHYMIC-GFCCVEGCSA-N 2 2 297.403 0.841 20 0 CCADLP Cn1ncc2c1nc[nH+]c2NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000112090842 349778259 /nfs/dbraw/zinc/77/82/59/349778259.db2.gz USACENIAPXADQX-MNOVXSKESA-N 2 2 288.355 0.638 20 0 CCADLP Cn1ncc2c1nc[nH+]c2NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000112090842 349778261 /nfs/dbraw/zinc/77/82/61/349778261.db2.gz USACENIAPXADQX-MNOVXSKESA-N 2 2 288.355 0.638 20 0 CCADLP C[C@@H]([NH2+]Cc1c[nH+]cn1C)C(=O)N1CCCCC1 ZINC000112342228 349780054 /nfs/dbraw/zinc/78/00/54/349780054.db2.gz ZAOILABFTPVPTF-LLVKDONJSA-N 2 2 250.346 0.911 20 0 CCADLP CN(C(=O)C[N@@H+]1CCO[C@H]2C[C@H]([NH+](C)C)CC[C@@H]21)C1CC1 ZINC000374423186 282225919 /nfs/dbraw/zinc/22/59/19/282225919.db2.gz VLCSLYCQESCTBV-ILXRZTDVSA-N 2 2 295.427 0.791 20 0 CCADLP CN(C(=O)C[N@H+]1CCO[C@H]2C[C@H]([NH+](C)C)CC[C@@H]21)C1CC1 ZINC000374423186 282225921 /nfs/dbraw/zinc/22/59/21/282225921.db2.gz VLCSLYCQESCTBV-ILXRZTDVSA-N 2 2 295.427 0.791 20 0 CCADLP CS[C@H]1CN(c2nc(C)[nH+]c(N)n2)C[C@@H]1[NH+](C)C ZINC000601134429 362153622 /nfs/dbraw/zinc/15/36/22/362153622.db2.gz CHTQCJHGEJMYMA-IUCAKERBSA-N 2 2 268.390 0.074 20 0 CCADLP C[NH+](C)[C@H]1CCN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000332903325 282262088 /nfs/dbraw/zinc/26/20/88/282262088.db2.gz QTOOUEWSXZKPLH-MNOVXSKESA-N 2 2 277.372 0.613 20 0 CCADLP C[NH+](C)[C@H]1CCN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000332903325 282262090 /nfs/dbraw/zinc/26/20/90/282262090.db2.gz QTOOUEWSXZKPLH-MNOVXSKESA-N 2 2 277.372 0.613 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[NH+]2C)[C@@H](C)CO1 ZINC000617732585 365743255 /nfs/dbraw/zinc/74/32/55/365743255.db2.gz HDNJMGIEQGFFJT-XQQFMLRXSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[NH+]2C)[C@@H](C)CO1 ZINC000617732585 365743260 /nfs/dbraw/zinc/74/32/60/365743260.db2.gz HDNJMGIEQGFFJT-XQQFMLRXSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](C)CO1 ZINC000617732585 365743262 /nfs/dbraw/zinc/74/32/62/365743262.db2.gz HDNJMGIEQGFFJT-XQQFMLRXSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](C)CO1 ZINC000617732585 365743268 /nfs/dbraw/zinc/74/32/68/365743268.db2.gz HDNJMGIEQGFFJT-XQQFMLRXSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCC(=O)NC(=O)NCC(F)(F)F ZINC000601329837 362226926 /nfs/dbraw/zinc/22/69/26/362226926.db2.gz MXUVWKQTJWMRRY-SFYZADRCSA-N 2 2 296.293 0.186 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCC(=O)NC(=O)NCC(F)(F)F ZINC000601329837 362226929 /nfs/dbraw/zinc/22/69/29/362226929.db2.gz MXUVWKQTJWMRRY-SFYZADRCSA-N 2 2 296.293 0.186 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1CC(C)(O)C1 ZINC000617762332 365764437 /nfs/dbraw/zinc/76/44/37/365764437.db2.gz MWNVRXSRRNDHTA-UHFFFAOYSA-N 2 2 271.405 0.147 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1CC(C)(O)C1 ZINC000617762332 365764441 /nfs/dbraw/zinc/76/44/41/365764441.db2.gz MWNVRXSRRNDHTA-UHFFFAOYSA-N 2 2 271.405 0.147 20 0 CCADLP Cc1cc(=O)[nH]c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000617763229 365766500 /nfs/dbraw/zinc/76/65/00/365766500.db2.gz KBJJQVPXVIYXHA-UHFFFAOYSA-N 2 2 294.399 0.709 20 0 CCADLP Cc1cc(=O)[nH]c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000617763229 365766506 /nfs/dbraw/zinc/76/65/06/365766506.db2.gz KBJJQVPXVIYXHA-UHFFFAOYSA-N 2 2 294.399 0.709 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CC12CC2 ZINC000617763245 365766727 /nfs/dbraw/zinc/76/67/27/365766727.db2.gz KKLCOJQVBVHNAX-GFCCVEGCSA-N 2 2 253.390 0.786 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CC12CC2 ZINC000617763245 365766732 /nfs/dbraw/zinc/76/67/32/365766732.db2.gz KKLCOJQVBVHNAX-GFCCVEGCSA-N 2 2 253.390 0.786 20 0 CCADLP CC[C@@H](O)CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617763358 365766743 /nfs/dbraw/zinc/76/67/43/365766743.db2.gz OLQOJFSMBOVBHC-GFCCVEGCSA-N 2 2 259.394 0.147 20 0 CCADLP CC[C@@H](O)CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617763358 365766745 /nfs/dbraw/zinc/76/67/45/365766745.db2.gz OLQOJFSMBOVBHC-GFCCVEGCSA-N 2 2 259.394 0.147 20 0 CCADLP CC(C)[C@H](O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617763937 365766753 /nfs/dbraw/zinc/76/67/53/365766753.db2.gz CBWNNOLPEOUNOD-LBPRGKRZSA-N 2 2 259.394 0.003 20 0 CCADLP CC(C)[C@H](O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617763937 365766757 /nfs/dbraw/zinc/76/67/57/365766757.db2.gz CBWNNOLPEOUNOD-LBPRGKRZSA-N 2 2 259.394 0.003 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1ncccc1F ZINC000617764417 365768750 /nfs/dbraw/zinc/76/87/50/365768750.db2.gz WKUSCQPOZMVMKF-UHFFFAOYSA-N 2 2 296.390 0.763 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1ncccc1F ZINC000617764417 365768754 /nfs/dbraw/zinc/76/87/54/365768754.db2.gz WKUSCQPOZMVMKF-UHFFFAOYSA-N 2 2 296.390 0.763 20 0 CCADLP CCc1c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cnn1C ZINC000617766924 365773618 /nfs/dbraw/zinc/77/36/18/365773618.db2.gz ZDWWSAUTPUGYLP-UHFFFAOYSA-N 2 2 295.431 0.596 20 0 CCADLP CCc1c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cnn1C ZINC000617766924 365773622 /nfs/dbraw/zinc/77/36/22/365773622.db2.gz ZDWWSAUTPUGYLP-UHFFFAOYSA-N 2 2 295.431 0.596 20 0 CCADLP C[C@H]1C[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)CO1 ZINC000617765208 365771332 /nfs/dbraw/zinc/77/13/32/365771332.db2.gz XDERVMKXVZTEGM-STQMWFEESA-N 2 2 271.405 0.411 20 0 CCADLP C[C@H]1C[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CO1 ZINC000617765208 365771335 /nfs/dbraw/zinc/77/13/35/365771335.db2.gz XDERVMKXVZTEGM-STQMWFEESA-N 2 2 271.405 0.411 20 0 CCADLP CC1CC[NH+](CC(=O)NCCc2c[nH+]cn2C)CC1 ZINC000155588484 290697987 /nfs/dbraw/zinc/69/79/87/290697987.db2.gz BRCXRVCEMNMEAU-UHFFFAOYSA-N 2 2 264.373 0.811 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2c[nH]nc2C(C)(C)C)C1 ZINC000358172741 529800503 /nfs/dbraw/zinc/80/05/03/529800503.db2.gz UPSBTNXCBCNKKN-CQSZACIVSA-N 2 2 266.389 0.863 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2c[nH]nc2C(C)(C)C)C1 ZINC000358172741 529800504 /nfs/dbraw/zinc/80/05/04/529800504.db2.gz UPSBTNXCBCNKKN-CQSZACIVSA-N 2 2 266.389 0.863 20 0 CCADLP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428050328 529860154 /nfs/dbraw/zinc/86/01/54/529860154.db2.gz BARGQEMEVVSEIB-STQMWFEESA-N 2 2 251.374 0.539 20 0 CCADLP CN(CC1CC1)C(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428050328 529860155 /nfs/dbraw/zinc/86/01/55/529860155.db2.gz BARGQEMEVVSEIB-STQMWFEESA-N 2 2 251.374 0.539 20 0 CCADLP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428050325 529860236 /nfs/dbraw/zinc/86/02/36/529860236.db2.gz BARGQEMEVVSEIB-CHWSQXEVSA-N 2 2 251.374 0.539 20 0 CCADLP CN(CC1CC1)C(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428050325 529860238 /nfs/dbraw/zinc/86/02/38/529860238.db2.gz BARGQEMEVVSEIB-CHWSQXEVSA-N 2 2 251.374 0.539 20 0 CCADLP CNC(=O)[C@@H]([NH2+]C1CC[NH+](CCOC)CC1)C(C)C ZINC000426530883 529898528 /nfs/dbraw/zinc/89/85/28/529898528.db2.gz FUOSFAIXQULOIQ-ZDUSSCGKSA-N 2 2 271.405 0.457 20 0 CCADLP CN(CC[NH3+])C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000423993619 529906627 /nfs/dbraw/zinc/90/66/27/529906627.db2.gz BCFRPXNLWLZVMA-LBPRGKRZSA-N 2 2 255.362 0.047 20 0 CCADLP CN(CC[NH3+])C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000423993619 529906628 /nfs/dbraw/zinc/90/66/28/529906628.db2.gz BCFRPXNLWLZVMA-LBPRGKRZSA-N 2 2 255.362 0.047 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)C1([NH3+])CCCC1 ZINC000423734979 529910762 /nfs/dbraw/zinc/91/07/62/529910762.db2.gz BQLPIUWQNRVJDH-UHFFFAOYSA-N 2 2 255.362 0.049 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000423746288 529911337 /nfs/dbraw/zinc/91/13/37/529911337.db2.gz NQGDNHRIGXSQAM-GOEBONIOSA-N 2 2 295.427 0.557 20 0 CCADLP CN(C[C@@H](O)C[N@H+](C)C1CC1)C(C)(C)C[NH+]1CCOCC1 ZINC000412099770 529959312 /nfs/dbraw/zinc/95/93/12/529959312.db2.gz QPWXCDWLNZWOQH-HNNXBMFYSA-N 2 2 299.459 0.484 20 0 CCADLP CN(C[C@@H](O)C[N@@H+](C)C1CC1)C(C)(C)C[NH+]1CCOCC1 ZINC000412099770 529959314 /nfs/dbraw/zinc/95/93/14/529959314.db2.gz QPWXCDWLNZWOQH-HNNXBMFYSA-N 2 2 299.459 0.484 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C(C)(C)CN1CCOCC1 ZINC000412099770 529959315 /nfs/dbraw/zinc/95/93/15/529959315.db2.gz QPWXCDWLNZWOQH-HNNXBMFYSA-N 2 2 299.459 0.484 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C(C)(C)CN1CCOCC1 ZINC000412099770 529959316 /nfs/dbraw/zinc/95/93/16/529959316.db2.gz QPWXCDWLNZWOQH-HNNXBMFYSA-N 2 2 299.459 0.484 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+](C)C(C)(C)CN1CCOCC1)C1CC1 ZINC000412099770 529959317 /nfs/dbraw/zinc/95/93/17/529959317.db2.gz QPWXCDWLNZWOQH-HNNXBMFYSA-N 2 2 299.459 0.484 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+](C)C(C)(C)CN1CCOCC1)C1CC1 ZINC000412099770 529959319 /nfs/dbraw/zinc/95/93/19/529959319.db2.gz QPWXCDWLNZWOQH-HNNXBMFYSA-N 2 2 299.459 0.484 20 0 CCADLP C[NH2+]CCCN1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000435886134 529965105 /nfs/dbraw/zinc/96/51/05/529965105.db2.gz SRCNZYYUTWOUDJ-UHFFFAOYSA-N 2 2 251.378 0.147 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)NCc1c[nH+]ccc1OC ZINC000418211810 529996850 /nfs/dbraw/zinc/99/68/50/529996850.db2.gz ISMQCFUNDRVXSQ-JTQLQIEISA-N 2 2 266.345 0.745 20 0 CCADLP C[C@H](O)CNc1cc(N[C@@H](C)C[NH+](C)C)nc[nH+]1 ZINC000298792490 232005891 /nfs/dbraw/zinc/00/58/91/232005891.db2.gz DXFCHJMNHXNGBW-UWVGGRQHSA-N 2 2 253.350 0.631 20 0 CCADLP C[N@@H+]1CCN(C(=O)/C=C\c2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000312151935 530066120 /nfs/dbraw/zinc/06/61/20/530066120.db2.gz QLOUQVALYLQVRO-HJHHMULASA-N 2 2 277.343 0.940 20 0 CCADLP C[N@H+]1CCN(C(=O)/C=C\c2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000312151935 530066121 /nfs/dbraw/zinc/06/61/21/530066121.db2.gz QLOUQVALYLQVRO-HJHHMULASA-N 2 2 277.343 0.940 20 0 CCADLP Cn1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c(C(C)(C)C)n1 ZINC000358138489 232048468 /nfs/dbraw/zinc/04/84/68/232048468.db2.gz MYCYYCVAYLMYQI-HNNXBMFYSA-N 2 2 280.416 0.874 20 0 CCADLP Cn1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c(C(C)(C)C)n1 ZINC000358138489 232048471 /nfs/dbraw/zinc/04/84/71/232048471.db2.gz MYCYYCVAYLMYQI-HNNXBMFYSA-N 2 2 280.416 0.874 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(F)cc2)CCO1 ZINC000358137225 232048551 /nfs/dbraw/zinc/04/85/51/232048551.db2.gz NXQSRDNCIURWMA-CYBMUJFWSA-N 2 2 281.331 0.814 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(F)cc2)CCO1 ZINC000358137225 232048553 /nfs/dbraw/zinc/04/85/53/232048553.db2.gz NXQSRDNCIURWMA-CYBMUJFWSA-N 2 2 281.331 0.814 20 0 CCADLP Cc1cc(NC[C@@]2(O)CC[N@@H+](C)C2)nc(-c2ccncc2)[nH+]1 ZINC000358348842 232085676 /nfs/dbraw/zinc/08/56/76/232085676.db2.gz JUPWFAZJQUXPMQ-INIZCTEOSA-N 2 2 299.378 0.747 20 0 CCADLP Cc1cc(NC[C@@]2(O)CC[N@H+](C)C2)nc(-c2ccncc2)[nH+]1 ZINC000358348842 232085678 /nfs/dbraw/zinc/08/56/78/232085678.db2.gz JUPWFAZJQUXPMQ-INIZCTEOSA-N 2 2 299.378 0.747 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000127562854 187316193 /nfs/dbraw/zinc/31/61/93/187316193.db2.gz LUYBBZAHJJSCED-NSHDSACASA-N 2 2 257.297 0.359 20 0 CCADLP CC1=CC[NH+](CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000339200162 215007859 /nfs/dbraw/zinc/00/78/59/215007859.db2.gz DRAJZEKAMKCHLF-ZDUSSCGKSA-N 2 2 267.373 0.085 20 0 CCADLP CC1=CC[NH+](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000339200162 215007861 /nfs/dbraw/zinc/00/78/61/215007861.db2.gz DRAJZEKAMKCHLF-ZDUSSCGKSA-N 2 2 267.373 0.085 20 0 CCADLP CC1=CC[N@H+](CCNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000339200162 215007863 /nfs/dbraw/zinc/00/78/63/215007863.db2.gz DRAJZEKAMKCHLF-ZDUSSCGKSA-N 2 2 267.373 0.085 20 0 CCADLP CC1=CC[N@@H+](CCNC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000339200162 215007865 /nfs/dbraw/zinc/00/78/65/215007865.db2.gz DRAJZEKAMKCHLF-ZDUSSCGKSA-N 2 2 267.373 0.085 20 0 CCADLP CCNC(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119741256 349951344 /nfs/dbraw/zinc/95/13/44/349951344.db2.gz FKUJYLQRJNVSIQ-YIONKMFJSA-N 2 2 294.443 0.365 20 0 CCADLP CCNC(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119741256 349951345 /nfs/dbraw/zinc/95/13/45/349951345.db2.gz FKUJYLQRJNVSIQ-YIONKMFJSA-N 2 2 294.443 0.365 20 0 CCADLP CCNC(=O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119741256 349951347 /nfs/dbraw/zinc/95/13/47/349951347.db2.gz FKUJYLQRJNVSIQ-YIONKMFJSA-N 2 2 294.443 0.365 20 0 CCADLP CCNC(=O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119741256 349951348 /nfs/dbraw/zinc/95/13/48/349951348.db2.gz FKUJYLQRJNVSIQ-YIONKMFJSA-N 2 2 294.443 0.365 20 0 CCADLP CC[C@@H](C(=O)NCCC[NH+](C)C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339228305 215028536 /nfs/dbraw/zinc/02/85/36/215028536.db2.gz MPCYJGVNSWHFFW-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP CC[C@@H](C(=O)NCCC[NH+](C)C)[N@H+]1CCO[C@@H](CC)C1 ZINC000339228305 215028539 /nfs/dbraw/zinc/02/85/39/215028539.db2.gz MPCYJGVNSWHFFW-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP Cc1ccc(CCC[NH2+]CCc2nnnn2C)c[nH+]1 ZINC000684392069 545662278 /nfs/dbraw/zinc/66/22/78/545662278.db2.gz VBFBANHUANFGKB-UHFFFAOYSA-N 2 2 260.345 0.678 20 0 CCADLP COC(=O)C1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000602757594 362787597 /nfs/dbraw/zinc/78/75/97/362787597.db2.gz BOGWNJZSKNSUIR-UHFFFAOYSA-N 2 2 251.330 0.848 20 0 CCADLP CCN(C#N)CC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000602797366 362806345 /nfs/dbraw/zinc/80/63/45/362806345.db2.gz HIBJINMHOQCDMS-JKSUJKDBSA-N 2 2 293.459 0.747 20 0 CCADLP CCN(C#N)CC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000602797366 362806349 /nfs/dbraw/zinc/80/63/49/362806349.db2.gz HIBJINMHOQCDMS-JKSUJKDBSA-N 2 2 293.459 0.747 20 0 CCADLP CCOC(=O)[C@@H]([NH2+]CCc1c[nH+]cn1C)[C@H]1CCCOC1 ZINC000602806321 362810712 /nfs/dbraw/zinc/81/07/12/362810712.db2.gz NJMXJGLJBYDXOZ-JSGCOSHPSA-N 2 2 295.383 0.911 20 0 CCADLP CCN(C#N)CC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000602822959 362819913 /nfs/dbraw/zinc/81/99/13/362819913.db2.gz HOHVBLWEESZCNL-OAHLLOKOSA-N 2 2 280.416 0.834 20 0 CCADLP CCN(C#N)CC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000602822959 362819919 /nfs/dbraw/zinc/81/99/19/362819919.db2.gz HOHVBLWEESZCNL-OAHLLOKOSA-N 2 2 280.416 0.834 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000249688096 137000633 /nfs/dbraw/zinc/00/06/33/137000633.db2.gz HXNZKPKCHJWQGH-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000249688096 137000634 /nfs/dbraw/zinc/00/06/34/137000634.db2.gz HXNZKPKCHJWQGH-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP Cc1nn(C)c(C)c1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252668452 137003775 /nfs/dbraw/zinc/00/37/75/137003775.db2.gz XETJMXFRRHNHEO-KBPBESRZSA-N 2 2 278.400 0.990 20 0 CCADLP Cc1nn(C)c(C)c1C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252668452 137003776 /nfs/dbraw/zinc/00/37/76/137003776.db2.gz XETJMXFRRHNHEO-KBPBESRZSA-N 2 2 278.400 0.990 20 0 CCADLP CC1CCN(C(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000261579818 137010152 /nfs/dbraw/zinc/01/01/52/137010152.db2.gz FAUOUHMREGTOMX-UONOGXRCSA-N 2 2 265.401 0.786 20 0 CCADLP CC1CCN(C(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000261579818 137010153 /nfs/dbraw/zinc/01/01/53/137010153.db2.gz FAUOUHMREGTOMX-UONOGXRCSA-N 2 2 265.401 0.786 20 0 CCADLP C[C@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261590824 137010979 /nfs/dbraw/zinc/01/09/79/137010979.db2.gz LONXXUJGAXRLJX-HZSPNIEDSA-N 2 2 265.401 0.929 20 0 CCADLP C[C@H](C(=O)N1CCCCC1)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261590824 137010980 /nfs/dbraw/zinc/01/09/80/137010980.db2.gz LONXXUJGAXRLJX-HZSPNIEDSA-N 2 2 265.401 0.929 20 0 CCADLP O=c1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)nc2ccccn12 ZINC000261595926 137011179 /nfs/dbraw/zinc/01/11/79/137011179.db2.gz AABORFKWNGKMSK-STQMWFEESA-N 2 2 284.363 0.736 20 0 CCADLP O=c1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)nc2ccccn12 ZINC000261595926 137011180 /nfs/dbraw/zinc/01/11/80/137011180.db2.gz AABORFKWNGKMSK-STQMWFEESA-N 2 2 284.363 0.736 20 0 CCADLP O=C(C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)Nc1ccccc1 ZINC000261634653 137013359 /nfs/dbraw/zinc/01/33/59/137013359.db2.gz IDCIVTXMXAZAEQ-OAHLLOKOSA-N 2 2 288.395 0.605 20 0 CCADLP COc1c(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c(C)nn1C ZINC000261637778 137013587 /nfs/dbraw/zinc/01/35/87/137013587.db2.gz IJIAUDRKBFWIML-ZDUSSCGKSA-N 2 2 293.415 0.217 20 0 CCADLP COC(=O)c1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)o1 ZINC000261659356 137014595 /nfs/dbraw/zinc/01/45/95/137014595.db2.gz KKXVUHXHQLMRDP-LBPRGKRZSA-N 2 2 293.367 0.546 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)CCCn1cc[nH+]c1 ZINC000618193553 365924566 /nfs/dbraw/zinc/92/45/66/365924566.db2.gz XSXUBIMSJRCZBO-UHFFFAOYSA-N 2 2 250.346 0.683 20 0 CCADLP COC[C@H]([NH3+])C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000262360563 137040288 /nfs/dbraw/zinc/04/02/88/137040288.db2.gz VMDUUWRLFRYHCN-ZDUSSCGKSA-N 2 2 297.424 0.409 20 0 CCADLP C[C@@H](C[NH3+])C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000262534175 137046064 /nfs/dbraw/zinc/04/60/64/137046064.db2.gz MLHKSMXSCNPMDP-NSHDSACASA-N 2 2 278.356 0.129 20 0 CCADLP C[C@H]1CCC[N@@H+](CCNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263062637 137057629 /nfs/dbraw/zinc/05/76/29/137057629.db2.gz VMSDYPZXGWZDMZ-QWRGUYRKSA-N 2 2 275.343 0.832 20 0 CCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263065389 137057774 /nfs/dbraw/zinc/05/77/74/137057774.db2.gz VWAWCDDESNDURP-QWRGUYRKSA-N 2 2 275.343 0.974 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000263128011 137058665 /nfs/dbraw/zinc/05/86/65/137058665.db2.gz BKHGEYRZEXAVSO-GXFFZTMASA-N 2 2 250.346 0.944 20 0 CCADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)NCc1ccc(F)cc1 ZINC000261733331 137017229 /nfs/dbraw/zinc/01/72/29/137017229.db2.gz RIFUZELTMBUECA-KBPBESRZSA-N 2 2 291.370 0.983 20 0 CCADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)NCc1ccc(F)cc1 ZINC000261733331 137017230 /nfs/dbraw/zinc/01/72/30/137017230.db2.gz RIFUZELTMBUECA-KBPBESRZSA-N 2 2 291.370 0.983 20 0 CCADLP O=c1n2ccccc2nn1CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261795670 137020427 /nfs/dbraw/zinc/02/04/27/137020427.db2.gz YHNMFCFFMVEQEH-STQMWFEESA-N 2 2 287.367 0.180 20 0 CCADLP O=c1n2ccccc2nn1CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261795670 137020428 /nfs/dbraw/zinc/02/04/28/137020428.db2.gz YHNMFCFFMVEQEH-STQMWFEESA-N 2 2 287.367 0.180 20 0 CCADLP C[C@]1(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CC[NH2+]C1 ZINC000261922317 137025872 /nfs/dbraw/zinc/02/58/72/137025872.db2.gz BTKZHKCTTRZEEO-CABCVRRESA-N 3 2 267.417 0.640 20 0 CCADLP CCN(C)CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000262001684 137027966 /nfs/dbraw/zinc/02/79/66/137027966.db2.gz URDMIRMOKVDVGM-MJBXVCDLSA-N 2 2 255.406 0.685 20 0 CCADLP Cc1cccn2cc(CNC(=O)[C@H]3[NH2+]CCO[C@@H]3C)[nH+]c12 ZINC000262274464 137034330 /nfs/dbraw/zinc/03/43/30/137034330.db2.gz NGPGIQGXOOCVIB-YPMHNXCESA-N 2 2 288.351 0.636 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C[C@@H]1C ZINC000263308117 137063868 /nfs/dbraw/zinc/06/38/68/137063868.db2.gz YDMAAZQDTSCAEI-WDEREUQCSA-N 2 2 291.342 0.163 20 0 CCADLP COCC[N@H+]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C[C@@H]1C ZINC000263308117 137063869 /nfs/dbraw/zinc/06/38/69/137063869.db2.gz YDMAAZQDTSCAEI-WDEREUQCSA-N 2 2 291.342 0.163 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CCCCCO)CC1 ZINC000305696394 137070757 /nfs/dbraw/zinc/07/07/57/137070757.db2.gz AIPRXUPZIDOKKH-CQSZACIVSA-N 2 2 283.416 0.563 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CCCCCO)CC1 ZINC000305696394 137070758 /nfs/dbraw/zinc/07/07/58/137070758.db2.gz AIPRXUPZIDOKKH-CQSZACIVSA-N 2 2 283.416 0.563 20 0 CCADLP COC(=O)[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000312046524 137076641 /nfs/dbraw/zinc/07/66/41/137076641.db2.gz ZJXQLJOPJMPWER-AAEUAGOBSA-N 2 2 270.373 0.327 20 0 CCADLP COC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000312046524 137076642 /nfs/dbraw/zinc/07/66/42/137076642.db2.gz ZJXQLJOPJMPWER-AAEUAGOBSA-N 2 2 270.373 0.327 20 0 CCADLP COC(=O)[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000312046524 137076643 /nfs/dbraw/zinc/07/66/43/137076643.db2.gz ZJXQLJOPJMPWER-AAEUAGOBSA-N 2 2 270.373 0.327 20 0 CCADLP COC(=O)[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000312046524 137076644 /nfs/dbraw/zinc/07/66/44/137076644.db2.gz ZJXQLJOPJMPWER-AAEUAGOBSA-N 2 2 270.373 0.327 20 0 CCADLP CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1)C(=O)OC ZINC000314283586 137078722 /nfs/dbraw/zinc/07/87/22/137078722.db2.gz NUNCEVPOBFTDIP-LNSITVRQSA-N 2 2 299.415 0.361 20 0 CCADLP CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1)C(=O)OC ZINC000314283586 137078723 /nfs/dbraw/zinc/07/87/23/137078723.db2.gz NUNCEVPOBFTDIP-LNSITVRQSA-N 2 2 299.415 0.361 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000343509234 137139141 /nfs/dbraw/zinc/13/91/41/137139141.db2.gz HQDWRUSYZGHELE-STQMWFEESA-N 2 2 291.399 0.442 20 0 CCADLP COC(=O)C1(O)CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000343558660 137141855 /nfs/dbraw/zinc/14/18/55/137141855.db2.gz CAJQSMNGUPVONL-UHFFFAOYSA-N 2 2 267.329 0.273 20 0 CCADLP CC[N@H+](CCCO)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000343680677 137149090 /nfs/dbraw/zinc/14/90/90/137149090.db2.gz GFJIZMAYWAPCMH-CYBMUJFWSA-N 2 2 271.405 0.243 20 0 CCADLP CC[N@@H+](CCCO)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000343680677 137149091 /nfs/dbraw/zinc/14/90/91/137149091.db2.gz GFJIZMAYWAPCMH-CYBMUJFWSA-N 2 2 271.405 0.243 20 0 CCADLP CC[N@H+](CCCO)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000343680685 137149121 /nfs/dbraw/zinc/14/91/21/137149121.db2.gz GFJIZMAYWAPCMH-ZDUSSCGKSA-N 2 2 271.405 0.243 20 0 CCADLP CC[N@@H+](CCCO)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000343680685 137149122 /nfs/dbraw/zinc/14/91/22/137149122.db2.gz GFJIZMAYWAPCMH-ZDUSSCGKSA-N 2 2 271.405 0.243 20 0 CCADLP Cc1nnc(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)o1 ZINC000343726298 137153213 /nfs/dbraw/zinc/15/32/13/137153213.db2.gz HBURXIGWKNSLQV-GFCCVEGCSA-N 2 2 293.415 0.978 20 0 CCADLP Cc1nnc(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)o1 ZINC000343726298 137153214 /nfs/dbraw/zinc/15/32/14/137153214.db2.gz HBURXIGWKNSLQV-GFCCVEGCSA-N 2 2 293.415 0.978 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)CCC[N@@H+]1C ZINC000343776209 137156721 /nfs/dbraw/zinc/15/67/21/137156721.db2.gz CWBJYMRFFDJLRS-UPJWGTAASA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)CCC[N@H+]1C ZINC000343776209 137156722 /nfs/dbraw/zinc/15/67/22/137156722.db2.gz CWBJYMRFFDJLRS-UPJWGTAASA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CCC[NH+]1C ZINC000343776209 137156724 /nfs/dbraw/zinc/15/67/24/137156724.db2.gz CWBJYMRFFDJLRS-UPJWGTAASA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000343866169 137162926 /nfs/dbraw/zinc/16/29/26/137162926.db2.gz JCWBMYKLJGUVEA-UBHSHLNASA-N 2 2 281.400 0.354 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000343866169 137162927 /nfs/dbraw/zinc/16/29/27/137162927.db2.gz JCWBMYKLJGUVEA-UBHSHLNASA-N 2 2 281.400 0.354 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000344005131 137173335 /nfs/dbraw/zinc/17/33/35/137173335.db2.gz DXKRQBYPBYADBL-BPLDGKMQSA-N 2 2 295.427 0.554 20 0 CCADLP Cc1cc(N2CC[NH2+][C@@H](C(N)=O)C2)nc(C(C)C)[nH+]1 ZINC000343353433 137130047 /nfs/dbraw/zinc/13/00/47/137130047.db2.gz KXGCIZLQBWMWDE-SNVBAGLBSA-N 2 2 263.345 0.172 20 0 CCADLP CC(C)[C@@H](C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)[NH+](C)C ZINC000344348835 137189942 /nfs/dbraw/zinc/18/99/42/137189942.db2.gz RKZSXOBYHOEHKA-MFKMUULPSA-N 2 2 264.373 0.969 20 0 CCADLP CC(C)[C@@H](C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)[NH+](C)C ZINC000344348835 137189943 /nfs/dbraw/zinc/18/99/43/137189943.db2.gz RKZSXOBYHOEHKA-MFKMUULPSA-N 2 2 264.373 0.969 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000684432348 545668475 /nfs/dbraw/zinc/66/84/75/545668475.db2.gz ACTGYDUVZHRLPI-LLVKDONJSA-N 2 2 250.346 0.563 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000684432348 545668479 /nfs/dbraw/zinc/66/84/79/545668479.db2.gz ACTGYDUVZHRLPI-LLVKDONJSA-N 2 2 250.346 0.563 20 0 CCADLP C[C@H](CNC(=O)C1(C[NH3+])CCOCC1)Cn1cc[nH+]c1 ZINC000344486279 137197212 /nfs/dbraw/zinc/19/72/12/137197212.db2.gz ZAWQRQJLVGTVQD-GFCCVEGCSA-N 2 2 280.372 0.391 20 0 CCADLP c1cn([C@H]2COC[C@@H]2[NH2+]Cc2cccc3[nH+]ccn32)nn1 ZINC000344501711 137198079 /nfs/dbraw/zinc/19/80/79/137198079.db2.gz VGFQQARMCHWREV-STQMWFEESA-N 2 2 284.323 0.656 20 0 CCADLP C[N@H+](CC(=O)NCC[NH+]1CCC1)[C@H]1CCSC1 ZINC000344711366 137208778 /nfs/dbraw/zinc/20/87/78/137208778.db2.gz DKXSJZWBELHWFH-NSHDSACASA-N 2 2 257.403 0.246 20 0 CCADLP C[N@@H+](CC(=O)NCC[NH+]1CCC1)[C@H]1CCSC1 ZINC000344711366 137208779 /nfs/dbraw/zinc/20/87/79/137208779.db2.gz DKXSJZWBELHWFH-NSHDSACASA-N 2 2 257.403 0.246 20 0 CCADLP Cc1cccn2cc(CC(=O)N3CC[NH+](C)CC3)[nH+]c12 ZINC000041291939 348250722 /nfs/dbraw/zinc/25/07/22/348250722.db2.gz WVGCVVHWDVSLDV-UHFFFAOYSA-N 2 2 272.352 0.959 20 0 CCADLP CC[NH+](CC)CCCCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000041573141 348257125 /nfs/dbraw/zinc/25/71/25/348257125.db2.gz CMVGZZQIOQLHDR-CQSZACIVSA-N 2 2 285.432 0.945 20 0 CCADLP COC(=O)CCC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602878118 362859485 /nfs/dbraw/zinc/85/94/85/362859485.db2.gz VUOQTCLQCOQLFL-CYBMUJFWSA-N 2 2 258.362 0.328 20 0 CCADLP COC(=O)CCC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602878118 362859486 /nfs/dbraw/zinc/85/94/86/362859486.db2.gz VUOQTCLQCOQLFL-CYBMUJFWSA-N 2 2 258.362 0.328 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@@H]([NH3+])CC(F)F)c[nH+]1 ZINC000345729363 137248317 /nfs/dbraw/zinc/24/83/17/137248317.db2.gz WSEQVVMCMUBEOC-VIFPVBQESA-N 2 2 272.299 0.746 20 0 CCADLP CC[C@H](C(=O)NCC[NH+]1CCOCC1)[NH+](CC)CC ZINC000345786834 137252829 /nfs/dbraw/zinc/25/28/29/137252829.db2.gz AJOJWZDELVZWNF-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000346358773 137280819 /nfs/dbraw/zinc/28/08/19/137280819.db2.gz PEIOAOTYQLYSIY-ILXRZTDVSA-N 2 2 296.459 0.469 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000346358773 137280820 /nfs/dbraw/zinc/28/08/20/137280820.db2.gz PEIOAOTYQLYSIY-ILXRZTDVSA-N 2 2 296.459 0.469 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(CO)CC2)CC1 ZINC000046090667 348349755 /nfs/dbraw/zinc/34/97/55/348349755.db2.gz BDHMXLYIDGTSFJ-ZDUSSCGKSA-N 2 2 283.416 0.243 20 0 CCADLP CCc1nc([C@@H]2C[N@H+](CC3CC[NH2+]CC3)CCO2)n[nH]1 ZINC000346839721 137307647 /nfs/dbraw/zinc/30/76/47/137307647.db2.gz SPFARWLXFOHZPR-LBPRGKRZSA-N 2 2 279.388 0.740 20 0 CCADLP CCc1nc([C@@H]2C[N@@H+](CC3CC[NH2+]CC3)CCO2)n[nH]1 ZINC000346839721 137307648 /nfs/dbraw/zinc/30/76/48/137307648.db2.gz SPFARWLXFOHZPR-LBPRGKRZSA-N 2 2 279.388 0.740 20 0 CCADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cn(Cc4cccnc4)nn3)C[C@@H]12 ZINC000346842221 137307875 /nfs/dbraw/zinc/30/78/75/137307875.db2.gz HSMKQMSHIVWWCF-FVQBIDKESA-N 2 2 298.394 0.891 20 0 CCADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cn(Cc4cccnc4)nn3)C[C@@H]12 ZINC000346842221 137307876 /nfs/dbraw/zinc/30/78/76/137307876.db2.gz HSMKQMSHIVWWCF-FVQBIDKESA-N 2 2 298.394 0.891 20 0 CCADLP CN(C1CC[NH+](CC(C)(C)[NH3+])CC1)S(C)(=O)=O ZINC000346854194 137308712 /nfs/dbraw/zinc/30/87/12/137308712.db2.gz TZAWGBBPHNXQMM-UHFFFAOYSA-N 2 2 263.407 0.080 20 0 CCADLP COCC[NH+]1CCN(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000047027295 348369690 /nfs/dbraw/zinc/36/96/90/348369690.db2.gz WUKUKMBOPVZMKN-ZDUSSCGKSA-N 2 2 295.387 0.245 20 0 CCADLP COC(=O)[C@]1(C)C[C@H](OC)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000602947879 362904868 /nfs/dbraw/zinc/90/48/68/362904868.db2.gz ZFSPNJMSAMPBNF-JSGCOSHPSA-N 2 2 281.356 0.926 20 0 CCADLP COC(=O)[C@]1(C)C[C@H](OC)C[N@H+]1CCCn1cc[nH+]c1 ZINC000602947879 362904870 /nfs/dbraw/zinc/90/48/70/362904870.db2.gz ZFSPNJMSAMPBNF-JSGCOSHPSA-N 2 2 281.356 0.926 20 0 CCADLP CCC1([NH+]2CCCC2)CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC1 ZINC000602949557 362904989 /nfs/dbraw/zinc/90/49/89/362904989.db2.gz HTDVYNVICGMRGQ-LBPRGKRZSA-N 2 2 296.415 0.910 20 0 CCADLP CC(C)SCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989539 362926269 /nfs/dbraw/zinc/92/62/69/362926269.db2.gz SHDQZHSMUOMFAZ-UHFFFAOYSA-N 2 2 273.446 0.834 20 0 CCADLP CC(C)SCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989539 362926274 /nfs/dbraw/zinc/92/62/74/362926274.db2.gz SHDQZHSMUOMFAZ-UHFFFAOYSA-N 2 2 273.446 0.834 20 0 CCADLP Cn1nnnc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000347601869 137344928 /nfs/dbraw/zinc/34/49/28/137344928.db2.gz WPBYIQIBKSXUOT-UHFFFAOYSA-N 2 2 266.393 0.764 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000062331232 348667748 /nfs/dbraw/zinc/66/77/48/348667748.db2.gz XWVCKZSTGLKAGZ-WDEREUQCSA-N 2 2 250.346 0.896 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976698 348674511 /nfs/dbraw/zinc/67/45/11/348674511.db2.gz SEKRCIUIQUSRQR-AVGNSLFASA-N 2 2 269.389 0.293 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC[NH+](CCC(=O)N(C)C)CC2)CCO1 ZINC000067457407 348774502 /nfs/dbraw/zinc/77/45/02/348774502.db2.gz ZHUDEXNFQSTXNT-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@@H]1C[N@H+](C2CC[NH+](CCC(=O)N(C)C)CC2)CCO1 ZINC000067457407 348774509 /nfs/dbraw/zinc/77/45/09/348774509.db2.gz ZHUDEXNFQSTXNT-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@H](O)C[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000067486404 348776055 /nfs/dbraw/zinc/77/60/55/348776055.db2.gz XMQBDAQNMXQXRQ-ZDUSSCGKSA-N 2 2 264.373 0.986 20 0 CCADLP CN(C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)C1CC1 ZINC000069805316 348862737 /nfs/dbraw/zinc/86/27/37/348862737.db2.gz VFXIFHUJDVWVFO-AWEZNQCLSA-N 2 2 295.427 0.651 20 0 CCADLP CN(C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)C1CC1 ZINC000069805316 348862739 /nfs/dbraw/zinc/86/27/39/348862739.db2.gz VFXIFHUJDVWVFO-AWEZNQCLSA-N 2 2 295.427 0.651 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)N1CCC1 ZINC000069856690 348863381 /nfs/dbraw/zinc/86/33/81/348863381.db2.gz CXFDGAZHZYPZBJ-AWEZNQCLSA-N 2 2 281.400 0.263 20 0 CCADLP O=C(C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)N1CCC1 ZINC000069856690 348863383 /nfs/dbraw/zinc/86/33/83/348863383.db2.gz CXFDGAZHZYPZBJ-AWEZNQCLSA-N 2 2 281.400 0.263 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000070172819 348876689 /nfs/dbraw/zinc/87/66/89/348876689.db2.gz SETVVASOYKPXFH-NWDGAFQWSA-N 2 2 250.346 0.859 20 0 CCADLP CCOC(=O)[C@@]1(C)C[N@H+](CCc2c[nH+]cn2C)CCO1 ZINC000603005836 362934693 /nfs/dbraw/zinc/93/46/93/362934693.db2.gz REAVGDKUDIQCGG-CQSZACIVSA-N 2 2 281.356 0.617 20 0 CCADLP CCOC(=O)[C@@]1(C)C[N@@H+](CCc2c[nH+]cn2C)CCO1 ZINC000603005836 362934697 /nfs/dbraw/zinc/93/46/97/362934697.db2.gz REAVGDKUDIQCGG-CQSZACIVSA-N 2 2 281.356 0.617 20 0 CCADLP COCCCNC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075836156 349053504 /nfs/dbraw/zinc/05/35/04/349053504.db2.gz MPRICJDPDGCBJO-HNNXBMFYSA-N 2 2 297.443 0.947 20 0 CCADLP COCCCNC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075836156 349053508 /nfs/dbraw/zinc/05/35/08/349053508.db2.gz MPRICJDPDGCBJO-HNNXBMFYSA-N 2 2 297.443 0.947 20 0 CCADLP COC(=O)CCNC(=O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860794 349055234 /nfs/dbraw/zinc/05/52/34/349055234.db2.gz CAHKHYDQOOJNSB-ZDUSSCGKSA-N 2 2 299.415 0.472 20 0 CCADLP COC(=O)CCNC(=O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860794 349055235 /nfs/dbraw/zinc/05/52/35/349055235.db2.gz CAHKHYDQOOJNSB-ZDUSSCGKSA-N 2 2 299.415 0.472 20 0 CCADLP COC(=O)CCNC(=O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860794 349055236 /nfs/dbraw/zinc/05/52/36/349055236.db2.gz CAHKHYDQOOJNSB-ZDUSSCGKSA-N 2 2 299.415 0.472 20 0 CCADLP COC(=O)CCNC(=O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075860794 349055237 /nfs/dbraw/zinc/05/52/37/349055237.db2.gz CAHKHYDQOOJNSB-ZDUSSCGKSA-N 2 2 299.415 0.472 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000076001235 349062425 /nfs/dbraw/zinc/06/24/25/349062425.db2.gz YOONSVYEXNYXGS-CABCVRRESA-N 2 2 297.443 0.945 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000076001235 349062428 /nfs/dbraw/zinc/06/24/28/349062428.db2.gz YOONSVYEXNYXGS-CABCVRRESA-N 2 2 297.443 0.945 20 0 CCADLP CC(C)(CNC(=O)[C@H]1CCCCC[NH2+]1)[NH+]1CCOCC1 ZINC000080998435 349239003 /nfs/dbraw/zinc/23/90/03/349239003.db2.gz XIQLLBMUOBZDBT-CYBMUJFWSA-N 2 2 283.416 0.746 20 0 CCADLP C[NH+]1CCC(CNC(N)=O)([NH+]2CCCCC2)CC1 ZINC000080599488 349221025 /nfs/dbraw/zinc/22/10/25/349221025.db2.gz ZOFUWDIXIAFCRA-UHFFFAOYSA-N 2 2 254.378 0.605 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccc[nH]2)CC1 ZINC000121252736 350030154 /nfs/dbraw/zinc/03/01/54/350030154.db2.gz WVLDPVUMMCPSPG-AWEZNQCLSA-N 2 2 276.384 0.926 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2c2ccc[nH]2)CC1 ZINC000121252736 350030155 /nfs/dbraw/zinc/03/01/55/350030155.db2.gz WVLDPVUMMCPSPG-AWEZNQCLSA-N 2 2 276.384 0.926 20 0 CCADLP COC(=O)CCNC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123583279 350077398 /nfs/dbraw/zinc/07/73/98/350077398.db2.gz OFQPSZDMQNXENI-NEPJUHHUSA-N 2 2 285.388 0.080 20 0 CCADLP COC(=O)CCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123583279 350077400 /nfs/dbraw/zinc/07/74/00/350077400.db2.gz OFQPSZDMQNXENI-NEPJUHHUSA-N 2 2 285.388 0.080 20 0 CCADLP COC(=O)CCNC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123583279 350077402 /nfs/dbraw/zinc/07/74/02/350077402.db2.gz OFQPSZDMQNXENI-NEPJUHHUSA-N 2 2 285.388 0.080 20 0 CCADLP COC(=O)CCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123583279 350077404 /nfs/dbraw/zinc/07/74/04/350077404.db2.gz OFQPSZDMQNXENI-NEPJUHHUSA-N 2 2 285.388 0.080 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)NC(=O)NC1CC1 ZINC000123698855 350080762 /nfs/dbraw/zinc/08/07/62/350080762.db2.gz LCKQUZXPIHGSQW-LLVKDONJSA-N 2 2 270.377 0.280 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)NC(=O)NC1CC1 ZINC000123698855 350080765 /nfs/dbraw/zinc/08/07/65/350080765.db2.gz LCKQUZXPIHGSQW-LLVKDONJSA-N 2 2 270.377 0.280 20 0 CCADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1cncn1C ZINC000124215193 350091901 /nfs/dbraw/zinc/09/19/01/350091901.db2.gz AOBPICQOJSIPSJ-GFCCVEGCSA-N 2 2 252.362 0.621 20 0 CCADLP CN(C)c1cccc(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000124293386 350094301 /nfs/dbraw/zinc/09/43/01/350094301.db2.gz JWJORWLRJOQPRD-CQSZACIVSA-N 2 2 276.384 0.468 20 0 CCADLP CN(C)c1cccc(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000124293386 350094305 /nfs/dbraw/zinc/09/43/05/350094305.db2.gz JWJORWLRJOQPRD-CQSZACIVSA-N 2 2 276.384 0.468 20 0 CCADLP CCN(CC)C(=O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000126425427 350146523 /nfs/dbraw/zinc/14/65/23/350146523.db2.gz UICNVRIWCLOSQM-UHFFFAOYSA-N 2 2 298.475 0.813 20 0 CCADLP CCN(CC)C(=O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000126425427 350146526 /nfs/dbraw/zinc/14/65/26/350146526.db2.gz UICNVRIWCLOSQM-UHFFFAOYSA-N 2 2 298.475 0.813 20 0 CCADLP CCN(CC)C(=O)CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000126425427 350146529 /nfs/dbraw/zinc/14/65/29/350146529.db2.gz UICNVRIWCLOSQM-UHFFFAOYSA-N 2 2 298.475 0.813 20 0 CCADLP CCN(CC)C(=O)CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000126425427 350146532 /nfs/dbraw/zinc/14/65/32/350146532.db2.gz UICNVRIWCLOSQM-UHFFFAOYSA-N 2 2 298.475 0.813 20 0 CCADLP CC1(C)C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CCO1 ZINC000127149747 350162381 /nfs/dbraw/zinc/16/23/81/350162381.db2.gz CCJYBVQZIGOKLH-UHFFFAOYSA-N 2 2 295.427 0.840 20 0 CCADLP CC1(C)C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CCO1 ZINC000127149747 350162385 /nfs/dbraw/zinc/16/23/85/350162385.db2.gz CCJYBVQZIGOKLH-UHFFFAOYSA-N 2 2 295.427 0.840 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000127667265 350174472 /nfs/dbraw/zinc/17/44/72/350174472.db2.gz WJNWOPZJZWWTNQ-LBPRGKRZSA-N 2 2 256.309 0.964 20 0 CCADLP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129305590 350210880 /nfs/dbraw/zinc/21/08/80/350210880.db2.gz FTXHSFZYBUEBGP-UONOGXRCSA-N 2 2 283.416 0.555 20 0 CCADLP CCCNC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129305590 350210883 /nfs/dbraw/zinc/21/08/83/350210883.db2.gz FTXHSFZYBUEBGP-UONOGXRCSA-N 2 2 283.416 0.555 20 0 CCADLP C([C@H]1CC[N@@H+](C[C@@H]2CCCO2)C1)[NH+]1CCOCC1 ZINC000129454905 350214679 /nfs/dbraw/zinc/21/46/79/350214679.db2.gz ZDZVSHWMROGLHH-KGLIPLIRSA-N 2 2 254.374 0.820 20 0 CCADLP C([C@H]1CC[N@H+](C[C@@H]2CCCO2)C1)[NH+]1CCOCC1 ZINC000129454905 350214682 /nfs/dbraw/zinc/21/46/82/350214682.db2.gz ZDZVSHWMROGLHH-KGLIPLIRSA-N 2 2 254.374 0.820 20 0 CCADLP CC[N@H+](CCNC(=O)N(C)CC[NH+]1CCOCC1)C1CC1 ZINC000105224958 186047682 /nfs/dbraw/zinc/04/76/82/186047682.db2.gz MRNKHHJQDJGCDQ-UHFFFAOYSA-N 2 2 298.431 0.444 20 0 CCADLP CC[NH+]1CCN(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000105302243 186051307 /nfs/dbraw/zinc/05/13/07/186051307.db2.gz RBWNYGIVWGDHHR-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(CCn2cc[nH+]c2)CC1 ZINC000131750198 350285639 /nfs/dbraw/zinc/28/56/39/350285639.db2.gz OCKMZCLJXGINGM-AWEZNQCLSA-N 2 2 291.399 0.122 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CCN(CCn2cc[nH+]c2)CC1 ZINC000131750198 350285641 /nfs/dbraw/zinc/28/56/41/350285641.db2.gz OCKMZCLJXGINGM-AWEZNQCLSA-N 2 2 291.399 0.122 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC(C)(C)N1CCOCC1 ZINC000133414765 350335376 /nfs/dbraw/zinc/33/53/76/350335376.db2.gz CGOLBORJZCXWRK-ZIAGYGMSSA-N 2 2 285.432 0.454 20 0 CCADLP CN(C)c1nc(N2CC[NH+](C[C@H]3CCCO3)CC2)cc[nH+]1 ZINC000134181909 350356727 /nfs/dbraw/zinc/35/67/27/350356727.db2.gz IGTCKASTTAPCAZ-CYBMUJFWSA-N 2 2 291.399 0.844 20 0 CCADLP COc1c(N)[nH+]cnc1NCC1CC[NH+](C)CC1 ZINC000134865250 350377651 /nfs/dbraw/zinc/37/76/51/350377651.db2.gz WNLQHFBMQDBHJZ-UHFFFAOYSA-N 2 2 251.334 0.821 20 0 CCADLP COc1c(N)nc[nH+]c1NCC1CC[NH+](C)CC1 ZINC000134865250 350377653 /nfs/dbraw/zinc/37/76/53/350377653.db2.gz WNLQHFBMQDBHJZ-UHFFFAOYSA-N 2 2 251.334 0.821 20 0 CCADLP CC(C)(CNC(=O)C1([NH3+])CCC1)[NH+]1CCOCC1 ZINC000148083258 350472033 /nfs/dbraw/zinc/47/20/33/350472033.db2.gz AYTKTYSLUBWPCW-UHFFFAOYSA-N 2 2 255.362 0.095 20 0 CCADLP Cc1ccc(CNC(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107579312 186181083 /nfs/dbraw/zinc/18/10/83/186181083.db2.gz QLKYTXKMNAEKIL-GASCZTMLSA-N 2 2 273.380 0.762 20 0 CCADLP Cc1ccc(CNC(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000107579312 186181085 /nfs/dbraw/zinc/18/10/85/186181085.db2.gz QLKYTXKMNAEKIL-GASCZTMLSA-N 2 2 273.380 0.762 20 0 CCADLP COCC[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000155349303 350616580 /nfs/dbraw/zinc/61/65/80/350616580.db2.gz PKQYNFYEPNCNQR-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP COCC[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000155349303 350616583 /nfs/dbraw/zinc/61/65/83/350616583.db2.gz PKQYNFYEPNCNQR-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000110041888 186283277 /nfs/dbraw/zinc/28/32/77/186283277.db2.gz FGYXJUYZFYKBOR-UONOGXRCSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000110041888 186283279 /nfs/dbraw/zinc/28/32/79/186283279.db2.gz FGYXJUYZFYKBOR-UONOGXRCSA-N 2 2 281.400 0.404 20 0 CCADLP C[NH2+]CCC[N@H+](C)[C@H](C)C(=O)NCC(F)(F)F ZINC000159884730 350691371 /nfs/dbraw/zinc/69/13/71/350691371.db2.gz OUKZUUNDUVIYAU-MRVPVSSYSA-N 2 2 255.284 0.595 20 0 CCADLP C[NH2+]CCC[N@@H+](C)[C@H](C)C(=O)NCC(F)(F)F ZINC000159884730 350691373 /nfs/dbraw/zinc/69/13/73/350691373.db2.gz OUKZUUNDUVIYAU-MRVPVSSYSA-N 2 2 255.284 0.595 20 0 CCADLP c1cn(CC2CC[NH+](CCn3cc[nH+]c3)CC2)nn1 ZINC000163410467 350765367 /nfs/dbraw/zinc/76/53/67/350765367.db2.gz OSMWNOWARQMPAG-UHFFFAOYSA-N 2 2 260.345 0.887 20 0 CCADLP C[C@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)Cn1cc[nH+]c1 ZINC000165590629 350791761 /nfs/dbraw/zinc/79/17/61/350791761.db2.gz WESDUTWAJZENKU-ZYHUDNBSSA-N 2 2 254.309 0.337 20 0 CCADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@@]2(F)CC[NH2+]C2)no1 ZINC000165749208 350792942 /nfs/dbraw/zinc/79/29/42/350792942.db2.gz ODUIZPSKKNPASG-CYBMUJFWSA-N 2 2 299.350 0.184 20 0 CCADLP CCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000167318140 350808572 /nfs/dbraw/zinc/80/85/72/350808572.db2.gz YRYHASBIDAAGLL-KGLIPLIRSA-N 2 2 283.416 0.827 20 0 CCADLP C[NH+](C)CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000170250513 350843505 /nfs/dbraw/zinc/84/35/05/350843505.db2.gz PIAJCXIWUZIPQW-NSHDSACASA-N 2 2 250.346 0.513 20 0 CCADLP C[NH+](C)CC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000170753590 350857100 /nfs/dbraw/zinc/85/71/00/350857100.db2.gz LBUZVSWFAZTOCV-UHFFFAOYSA-N 2 2 278.356 0.096 20 0 CCADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)C[NH+](C)C)cn1 ZINC000171388940 350906058 /nfs/dbraw/zinc/90/60/58/350906058.db2.gz YBTISKBFGYXPOQ-UHFFFAOYSA-N 2 2 273.340 0.754 20 0 CCADLP CC[C@@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000172939899 351017798 /nfs/dbraw/zinc/01/77/98/351017798.db2.gz PWLFCEHGQOVORM-QLFBSQMISA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000172939899 351017803 /nfs/dbraw/zinc/01/78/03/351017803.db2.gz PWLFCEHGQOVORM-QLFBSQMISA-N 2 2 297.443 0.944 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)N1CCNC1=O ZINC000173590189 351047439 /nfs/dbraw/zinc/04/74/39/351047439.db2.gz BNBIROJENJYMNA-ZDUSSCGKSA-N 2 2 294.399 0.346 20 0 CCADLP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)N1CCNC1=O ZINC000173590189 351047443 /nfs/dbraw/zinc/04/74/43/351047443.db2.gz BNBIROJENJYMNA-ZDUSSCGKSA-N 2 2 294.399 0.346 20 0 CCADLP C[C@H]1C[C@H](N(C)C(=O)NCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000173891664 351059993 /nfs/dbraw/zinc/05/99/93/351059993.db2.gz QGGLTOCSILOOJS-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H]1C[C@H](N(C)C(=O)NCC[NH+]2CCOCC2)CC[N@H+]1C ZINC000173891664 351059995 /nfs/dbraw/zinc/05/99/95/351059995.db2.gz QGGLTOCSILOOJS-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP COCCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177115403 351194999 /nfs/dbraw/zinc/19/49/99/351194999.db2.gz ZVCZTNLEELIRKE-UHFFFAOYSA-N 2 2 257.378 0.165 20 0 CCADLP C[C@H]1C[C@H](NC(=O)NCC[NH+]2CCOCC2)C[N@@H+]1C1CC1 ZINC000176484980 351176602 /nfs/dbraw/zinc/17/66/02/351176602.db2.gz QETZXKQBXVOQFO-STQMWFEESA-N 2 2 296.415 0.243 20 0 CCADLP C[C@H]1C[C@H](NC(=O)NCC[NH+]2CCOCC2)C[N@H+]1C1CC1 ZINC000176484980 351176606 /nfs/dbraw/zinc/17/66/06/351176606.db2.gz QETZXKQBXVOQFO-STQMWFEESA-N 2 2 296.415 0.243 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC2CCCC2)C1 ZINC000113515919 186586093 /nfs/dbraw/zinc/58/60/93/186586093.db2.gz XVYUIKXOWJJDFH-LBPRGKRZSA-N 2 2 253.390 0.929 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC000113515919 186586095 /nfs/dbraw/zinc/58/60/95/186586095.db2.gz XVYUIKXOWJJDFH-LBPRGKRZSA-N 2 2 253.390 0.929 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])C(C)(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000178861334 351249759 /nfs/dbraw/zinc/24/97/59/351249759.db2.gz HDTAVPOLTNRSDU-JHJVBQTASA-N 2 2 283.416 0.539 20 0 CCADLP CCOCC[NH+]1CCN([C@H](C)C[NH+]2CCOCC2)CC1 ZINC000180477877 351287149 /nfs/dbraw/zinc/28/71/49/351287149.db2.gz KTWCHJXPRHJCCL-OAHLLOKOSA-N 2 2 285.432 0.361 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000180505897 351287884 /nfs/dbraw/zinc/28/78/84/351287884.db2.gz WCZLIMUPOBBDDA-HNNXBMFYSA-N 3 2 294.443 0.178 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000180505897 351287887 /nfs/dbraw/zinc/28/78/87/351287887.db2.gz WCZLIMUPOBBDDA-HNNXBMFYSA-N 3 2 294.443 0.178 20 0 CCADLP CC[C@@H](C)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181025270 351298840 /nfs/dbraw/zinc/29/88/40/351298840.db2.gz DVTAOFPFXROBPS-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H](CC1CC1)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181046898 351301545 /nfs/dbraw/zinc/30/15/45/351301545.db2.gz UAOIXWTZIDQTSG-ZFWWWQNUSA-N 2 2 295.427 0.698 20 0 CCADLP c1cn(CCC[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c[nH+]1 ZINC000183181596 351377459 /nfs/dbraw/zinc/37/74/59/351377459.db2.gz DHDNMHPTKFEWPS-OAHLLOKOSA-N 2 2 278.400 0.927 20 0 CCADLP c1cn(CCC[N@H+]2CC[C@@H](CN3CCOCC3)C2)c[nH+]1 ZINC000183181596 351377464 /nfs/dbraw/zinc/37/74/64/351377464.db2.gz DHDNMHPTKFEWPS-OAHLLOKOSA-N 2 2 278.400 0.927 20 0 CCADLP CCCN(C(=O)c1n[nH]c2c1C[NH2+]CC2)[C@H]1CC[NH2+]C1 ZINC000188185210 351578834 /nfs/dbraw/zinc/57/88/34/351578834.db2.gz PQQCDBHHXGTCAG-JTQLQIEISA-N 2 2 277.372 0.270 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+](C[C@@H](O)CSC)CC2)c1 ZINC000187875476 351560511 /nfs/dbraw/zinc/56/05/11/351560511.db2.gz XWQSILZQRWGYJF-GFCCVEGCSA-N 2 2 297.424 0.936 20 0 CCADLP C[C@@H]1CC[C@H](C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)O1 ZINC000190513141 351725806 /nfs/dbraw/zinc/72/58/06/351725806.db2.gz ZLTUZFIXNSRSFH-HUUCEWRRSA-N 2 2 295.427 0.794 20 0 CCADLP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccnn1C ZINC000192722033 351795629 /nfs/dbraw/zinc/79/56/29/351795629.db2.gz UAKLJRFDNMGFBY-GFCCVEGCSA-N 2 2 266.389 0.918 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCNC(=O)[C@@H]2C)CC1 ZINC000191473370 351760162 /nfs/dbraw/zinc/76/01/62/351760162.db2.gz RICQQWWBPQCQNK-AWEZNQCLSA-N 2 2 282.432 0.223 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCNC(=O)[C@@H]2C)CC1 ZINC000191473370 351760164 /nfs/dbraw/zinc/76/01/64/351760164.db2.gz RICQQWWBPQCQNK-AWEZNQCLSA-N 2 2 282.432 0.223 20 0 CCADLP C[C@H]([NH3+])CCC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000193296695 351821170 /nfs/dbraw/zinc/82/11/70/351821170.db2.gz JQZLCQPNXPBCAF-LBPRGKRZSA-N 2 2 292.383 0.662 20 0 CCADLP COCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCn2cccn2)C1 ZINC000354086116 137558947 /nfs/dbraw/zinc/55/89/47/137558947.db2.gz MWHQBEJUIPAKFS-KBPBESRZSA-N 2 2 266.389 0.972 20 0 CCADLP COCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCn2cccn2)C1 ZINC000354086116 137558948 /nfs/dbraw/zinc/55/89/48/137558948.db2.gz MWHQBEJUIPAKFS-KBPBESRZSA-N 2 2 266.389 0.972 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123814614 187109442 /nfs/dbraw/zinc/10/94/42/187109442.db2.gz VPEABZXBGYZLGG-CHWSQXEVSA-N 2 2 298.431 0.883 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123814614 187109443 /nfs/dbraw/zinc/10/94/43/187109443.db2.gz VPEABZXBGYZLGG-CHWSQXEVSA-N 2 2 298.431 0.883 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123814614 187109444 /nfs/dbraw/zinc/10/94/44/187109444.db2.gz VPEABZXBGYZLGG-CHWSQXEVSA-N 2 2 298.431 0.883 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123814614 187109445 /nfs/dbraw/zinc/10/94/45/187109445.db2.gz VPEABZXBGYZLGG-CHWSQXEVSA-N 2 2 298.431 0.883 20 0 CCADLP O=C(c1ccc2[nH+]ccn2c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195242399 351905242 /nfs/dbraw/zinc/90/52/42/351905242.db2.gz JKUANIBSEYOHOV-TXEJJXNPSA-N 2 2 256.309 0.626 20 0 CCADLP Nc1cc(N)[nH+]c(SCCC[NH+]2CCOCC2)n1 ZINC000195335299 351909846 /nfs/dbraw/zinc/90/98/46/351909846.db2.gz RLYZOOFKEQJJCP-UHFFFAOYSA-N 2 2 269.374 0.455 20 0 CCADLP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000223736819 351989417 /nfs/dbraw/zinc/98/94/17/351989417.db2.gz ONAKILIKLWUTJR-LBPRGKRZSA-N 2 2 262.419 0.884 20 0 CCADLP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000223736819 351989421 /nfs/dbraw/zinc/98/94/21/351989421.db2.gz ONAKILIKLWUTJR-LBPRGKRZSA-N 2 2 262.419 0.884 20 0 CCADLP O=C(NCC1CC[NH2+]CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655412154 412561228 /nfs/dbraw/zinc/56/12/28/412561228.db2.gz MMJLSSMTKHAWRD-GFCCVEGCSA-N 2 2 262.357 0.561 20 0 CCADLP C[C@@H](CO)CCC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000228277197 352071749 /nfs/dbraw/zinc/07/17/49/352071749.db2.gz XVEBQHCIAXBQDQ-LLVKDONJSA-N 2 2 254.378 0.984 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226034162 352018423 /nfs/dbraw/zinc/01/84/23/352018423.db2.gz MVHUWTAPXFQBBO-GARJFASQSA-N 2 2 270.377 0.280 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226034162 352018426 /nfs/dbraw/zinc/01/84/26/352018426.db2.gz MVHUWTAPXFQBBO-GARJFASQSA-N 2 2 270.377 0.280 20 0 CCADLP CN(C)C(=O)C[NH+]1CCC([NH2+]C[C@@H]2CCSC2)CC1 ZINC000226380305 352024925 /nfs/dbraw/zinc/02/49/25/352024925.db2.gz ABCDVMGRCZJJED-LBPRGKRZSA-N 2 2 285.457 0.882 20 0 CCADLP [NH3+]Cc1nc(C(=O)NCC[NH+]2CCSCC2)cs1 ZINC000226390216 352026177 /nfs/dbraw/zinc/02/61/77/352026177.db2.gz BSDXCCGKDNFACP-UHFFFAOYSA-N 2 2 286.426 0.380 20 0 CCADLP C[N@@H+]1CCN(Cc2ccc(-n3cccn3)cc2)[C@@H](C[NH3+])C1 ZINC000226625298 352031053 /nfs/dbraw/zinc/03/10/53/352031053.db2.gz NYDZPOYQUCVIAP-INIZCTEOSA-N 2 2 285.395 0.947 20 0 CCADLP C[N@H+]1CCN(Cc2ccc(-n3cccn3)cc2)[C@@H](C[NH3+])C1 ZINC000226625298 352031055 /nfs/dbraw/zinc/03/10/55/352031055.db2.gz NYDZPOYQUCVIAP-INIZCTEOSA-N 2 2 285.395 0.947 20 0 CCADLP C[C@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)[C@@H]([NH3+])c1ccccc1 ZINC000226802875 352034075 /nfs/dbraw/zinc/03/40/75/352034075.db2.gz QITZKONUWAJBSG-AEGPPILISA-N 2 2 291.395 0.769 20 0 CCADLP C[C@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)[C@@H]([NH3+])c1ccccc1 ZINC000226802875 352034078 /nfs/dbraw/zinc/03/40/78/352034078.db2.gz QITZKONUWAJBSG-AEGPPILISA-N 2 2 291.395 0.769 20 0 CCADLP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000230801532 352120232 /nfs/dbraw/zinc/12/02/32/352120232.db2.gz CCFDDGKPNVWHAV-ZIAGYGMSSA-N 2 2 277.368 0.442 20 0 CCADLP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000230801532 352120234 /nfs/dbraw/zinc/12/02/34/352120234.db2.gz CCFDDGKPNVWHAV-ZIAGYGMSSA-N 2 2 277.368 0.442 20 0 CCADLP CNC(=O)NC(=O)CC[N@H+](CC[NH3+])Cc1ccccc1 ZINC000231784016 352133661 /nfs/dbraw/zinc/13/36/61/352133661.db2.gz REZLECCWJIZGRA-UHFFFAOYSA-N 2 2 278.356 0.293 20 0 CCADLP CNC(=O)NC(=O)CC[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000231784016 352133665 /nfs/dbraw/zinc/13/36/65/352133665.db2.gz REZLECCWJIZGRA-UHFFFAOYSA-N 2 2 278.356 0.293 20 0 CCADLP C[C@@H](NC(=O)C1CC[NH2+]CC1)[C@H](C)[NH+]1CCOCC1 ZINC000237498659 352268674 /nfs/dbraw/zinc/26/86/74/352268674.db2.gz OOGBBKFLTLYFDP-NEPJUHHUSA-N 2 2 269.389 0.211 20 0 CCADLP COCC[NH2+]CC(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000237151770 352247821 /nfs/dbraw/zinc/24/78/21/352247821.db2.gz RCKZSPJTGUTXLQ-UHFFFAOYSA-N 2 2 277.368 0.701 20 0 CCADLP COCC[NH2+]CC(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000237151770 352247825 /nfs/dbraw/zinc/24/78/25/352247825.db2.gz RCKZSPJTGUTXLQ-UHFFFAOYSA-N 2 2 277.368 0.701 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000246212312 352354229 /nfs/dbraw/zinc/35/42/29/352354229.db2.gz FXDDBYAYZUDNBA-VXGBXAGGSA-N 2 2 269.389 0.341 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000246212312 352354235 /nfs/dbraw/zinc/35/42/35/352354235.db2.gz FXDDBYAYZUDNBA-VXGBXAGGSA-N 2 2 269.389 0.341 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000245448407 352322606 /nfs/dbraw/zinc/32/26/06/352322606.db2.gz MVQKNAXLYYYKHT-NEPJUHHUSA-N 2 2 284.404 0.494 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000245448407 352322609 /nfs/dbraw/zinc/32/26/09/352322609.db2.gz MVQKNAXLYYYKHT-NEPJUHHUSA-N 2 2 284.404 0.494 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000245448407 352322613 /nfs/dbraw/zinc/32/26/13/352322613.db2.gz MVQKNAXLYYYKHT-NEPJUHHUSA-N 2 2 284.404 0.494 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000245448407 352322617 /nfs/dbraw/zinc/32/26/17/352322617.db2.gz MVQKNAXLYYYKHT-NEPJUHHUSA-N 2 2 284.404 0.494 20 0 CCADLP C[C@@H](C(=O)NC[C@H]1C[NH+]2CCN1CC2)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000246088919 352348518 /nfs/dbraw/zinc/34/85/18/352348518.db2.gz ICYVQHJVUXTTOW-XGUBFFRZSA-N 2 2 294.443 0.364 20 0 CCADLP 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CS(=O)(=O)[C@H]1CCCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261632718 352562299 /nfs/dbraw/zinc/56/22/99/352562299.db2.gz CSBGXKHHOHSGFW-OLZOCXBDSA-N 2 2 274.430 0.885 20 0 CCADLP Cc1nc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cs1 ZINC000262132672 352581647 /nfs/dbraw/zinc/58/16/47/352581647.db2.gz OHLSXVARUQIUDX-CYBMUJFWSA-N 2 2 294.424 0.848 20 0 CCADLP Cc1nc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cs1 ZINC000262132672 352581649 /nfs/dbraw/zinc/58/16/49/352581649.db2.gz OHLSXVARUQIUDX-CYBMUJFWSA-N 2 2 294.424 0.848 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC000265254781 352629007 /nfs/dbraw/zinc/62/90/07/352629007.db2.gz BURXNNPITXZZAK-ZDUSSCGKSA-N 2 2 280.372 0.452 20 0 CCADLP COCC[N@H+]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC000265254781 352629011 /nfs/dbraw/zinc/62/90/11/352629011.db2.gz BURXNNPITXZZAK-ZDUSSCGKSA-N 2 2 280.372 0.452 20 0 CCADLP CCOC[C@@H](O)C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000266353420 352698321 /nfs/dbraw/zinc/69/83/21/352698321.db2.gz JVCWHXCQZADKGS-ZDUSSCGKSA-N 2 2 280.372 0.304 20 0 CCADLP CCOC[C@H](O)C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000266353418 352698413 /nfs/dbraw/zinc/69/84/13/352698413.db2.gz JVCWHXCQZADKGS-CYBMUJFWSA-N 2 2 280.372 0.304 20 0 CCADLP CCCNC(=O)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604389465 363193572 /nfs/dbraw/zinc/19/35/72/363193572.db2.gz SLCBRZPRAWZSKD-CQSZACIVSA-N 2 2 282.432 0.224 20 0 CCADLP CCCNC(=O)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604389465 363193579 /nfs/dbraw/zinc/19/35/79/363193579.db2.gz SLCBRZPRAWZSKD-CQSZACIVSA-N 2 2 282.432 0.224 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)c1ccsc1 ZINC000266798560 352721188 /nfs/dbraw/zinc/72/11/88/352721188.db2.gz GNMXFQOKDCWKJA-OLZOCXBDSA-N 2 2 297.424 0.798 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccsc1 ZINC000266798560 352721190 /nfs/dbraw/zinc/72/11/90/352721190.db2.gz GNMXFQOKDCWKJA-OLZOCXBDSA-N 2 2 297.424 0.798 20 0 CCADLP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[NH+](Cc2cccnc2)CC1 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Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000270829528 352992070 /nfs/dbraw/zinc/99/20/70/352992070.db2.gz CMWODYXYBBKJJZ-LBPRGKRZSA-N 2 2 250.346 0.779 20 0 CCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@H]2C1 ZINC000272391922 353059211 /nfs/dbraw/zinc/05/92/11/353059211.db2.gz CXPHELFGPXAPLC-OLZOCXBDSA-N 2 2 262.357 0.826 20 0 CCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@H]2C1 ZINC000272391922 353059215 /nfs/dbraw/zinc/05/92/15/353059215.db2.gz CXPHELFGPXAPLC-OLZOCXBDSA-N 2 2 262.357 0.826 20 0 CCADLP CC(C)([NH3+])CN1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000346851834 535198933 /nfs/dbraw/zinc/19/89/33/535198933.db2.gz RFNFEXAVIFKHMR-UHFFFAOYSA-N 2 2 296.459 0.790 20 0 CCADLP COc1cccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)n1 ZINC000276953614 353213379 /nfs/dbraw/zinc/21/33/79/353213379.db2.gz KIKZKRBVSVVIAR-CYBMUJFWSA-N 2 2 265.357 0.637 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@H](CO)C(C)(C)C)C[C@@H](C)O1 ZINC000555976357 290986252 /nfs/dbraw/zinc/98/62/52/290986252.db2.gz QRJGPQIOFGKATF-AAVRWANBSA-N 2 2 288.432 0.453 20 0 CCADLP C[NH2+][C@@H](C)C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000655448472 412575417 /nfs/dbraw/zinc/57/54/17/412575417.db2.gz KZESCAJNIQCNQB-NSHDSACASA-N 2 2 260.341 0.909 20 0 CCADLP C[NH+](C)C1CN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C1 ZINC000277853023 353269287 /nfs/dbraw/zinc/26/92/87/353269287.db2.gz QZPAFSAGUWLPFY-GFCCVEGCSA-N 2 2 291.399 0.578 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000278191348 353286756 /nfs/dbraw/zinc/28/67/56/353286756.db2.gz FKINSVPVONKLQZ-GFCCVEGCSA-N 2 2 276.340 0.623 20 0 CCADLP C[C@H](CNC(=O)[C@H]1C[C@]12CCC[NH2+]C2)[NH+]1CCN(C)CC1 ZINC000655449733 412576412 /nfs/dbraw/zinc/57/64/12/412576412.db2.gz NFFIUWOSEQCGPR-FMKPAKJESA-N 2 2 294.443 0.128 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000280281598 353352222 /nfs/dbraw/zinc/35/22/22/353352222.db2.gz OAKKMKSMUKNRCV-UHFFFAOYSA-N 2 2 294.399 0.580 20 0 CCADLP C[C@@H](NC(=O)CCc1c[nH+]cn1C)[C@@H](C)[NH+]1CCOCC1 ZINC000280551563 353368417 /nfs/dbraw/zinc/36/84/17/353368417.db2.gz PKMSFBXYYATRJH-CHWSQXEVSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@@H](NC(=O)CCc1c[nH+]cn1C)[C@H](C)[NH+]1CCOCC1 ZINC000280551564 353368533 /nfs/dbraw/zinc/36/85/33/353368533.db2.gz PKMSFBXYYATRJH-OLZOCXBDSA-N 2 2 294.399 0.578 20 0 CCADLP CN(C)[C@H](C(=O)N1CCC[C@H]([NH+](C)C)C1)c1c[nH+]cn1C ZINC000280721758 353377691 /nfs/dbraw/zinc/37/76/91/353377691.db2.gz HKEJZEOGMAQSGJ-JSGCOSHPSA-N 2 2 293.415 0.575 20 0 CCADLP CN(C)[C@@H](C(=O)N1CCC[C@H]([NH+](C)C)C1)c1c[nH+]cn1C ZINC000280721757 353378116 /nfs/dbraw/zinc/37/81/16/353378116.db2.gz HKEJZEOGMAQSGJ-GXTWGEPZSA-N 2 2 293.415 0.575 20 0 CCADLP C[C@]1(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CCC[NH2+]C1 ZINC000655452536 412577683 /nfs/dbraw/zinc/57/76/83/412577683.db2.gz JRQHPVODYPEYQH-WFASDCNBSA-N 2 2 276.384 0.951 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655452887 412577713 /nfs/dbraw/zinc/57/77/13/412577713.db2.gz CEPHLYCKSZPBKF-WOPDTQHZSA-N 2 2 262.357 0.560 20 0 CCADLP CC(C)N(CC[NH+](C)C)C(=O)NCCn1cc[nH+]c1 ZINC000158897653 188399268 /nfs/dbraw/zinc/39/92/68/188399268.db2.gz ICZCIVWMEMWSMA-UHFFFAOYSA-N 2 2 267.377 0.865 20 0 CCADLP O=C(NCC[NH+]1CCOCC1)c1ccc2c[nH+]cn2c1 ZINC000283873031 353534935 /nfs/dbraw/zinc/53/49/35/353534935.db2.gz CSCKWXIMSQAWEF-UHFFFAOYSA-N 2 2 274.324 0.396 20 0 CCADLP Cn1nccc1[C@H]1[C@H](C[N@H+](C)CC(N)=O)CCC[NH+]1C ZINC000286760482 353608285 /nfs/dbraw/zinc/60/82/85/353608285.db2.gz MKQNJRVSAUBNFW-SMDDNHRTSA-N 2 2 279.388 0.220 20 0 CCADLP Cn1nccc1[C@H]1[C@H](C[N@@H+](C)CC(N)=O)CCC[NH+]1C ZINC000286760482 353608287 /nfs/dbraw/zinc/60/82/87/353608287.db2.gz MKQNJRVSAUBNFW-SMDDNHRTSA-N 2 2 279.388 0.220 20 0 CCADLP Cn1nccc1[C@H]1[C@H](C[NH+](C)CC(N)=O)CCC[N@H+]1C ZINC000286760482 353608290 /nfs/dbraw/zinc/60/82/90/353608290.db2.gz MKQNJRVSAUBNFW-SMDDNHRTSA-N 2 2 279.388 0.220 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CC[NH2+][C@H]1C(C)C ZINC000290019705 353701456 /nfs/dbraw/zinc/70/14/56/353701456.db2.gz FGMDIYMJYJEMSY-JQWIXIFHSA-N 2 2 250.346 0.968 20 0 CCADLP CNC(=O)[C@@H]1CCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000290121504 353709174 /nfs/dbraw/zinc/70/91/74/353709174.db2.gz UFSLSBAKSOUGPX-LLVKDONJSA-N 2 2 250.346 0.421 20 0 CCADLP CNC(=O)[C@@H]1CCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000290121504 353709176 /nfs/dbraw/zinc/70/91/76/353709176.db2.gz UFSLSBAKSOUGPX-LLVKDONJSA-N 2 2 250.346 0.421 20 0 CCADLP C[C@@H](O)CNc1cc(N2CCC[C@H]([NH+](C)C)C2)nc[nH+]1 ZINC000294342800 353888999 /nfs/dbraw/zinc/88/89/99/353888999.db2.gz JZXVEBLQWAHGKF-NEPJUHHUSA-N 2 2 279.388 0.800 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCC(N2CCNC2=O)CC1 ZINC000328685089 202009949 /nfs/dbraw/zinc/00/99/49/202009949.db2.gz XEBCOWJRNVCXGH-UHFFFAOYSA-N 2 2 277.372 0.886 20 0 CCADLP CC[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)CCOC)CCS1 ZINC000311102154 354196618 /nfs/dbraw/zinc/19/66/18/354196618.db2.gz CKXJBDYLNZGMEY-QWHCGFSZSA-N 2 2 276.446 0.753 20 0 CCADLP CC[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)CCOC)CCS1 ZINC000311102154 354196620 /nfs/dbraw/zinc/19/66/20/354196620.db2.gz CKXJBDYLNZGMEY-QWHCGFSZSA-N 2 2 276.446 0.753 20 0 CCADLP CC[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)CCOC)CCS1 ZINC000311102154 354196623 /nfs/dbraw/zinc/19/66/23/354196623.db2.gz CKXJBDYLNZGMEY-QWHCGFSZSA-N 2 2 276.446 0.753 20 0 CCADLP CC[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)CCOC)CCS1 ZINC000311102154 354196625 /nfs/dbraw/zinc/19/66/25/354196625.db2.gz CKXJBDYLNZGMEY-QWHCGFSZSA-N 2 2 276.446 0.753 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@@H]1CCCCO1 ZINC000311744419 354203398 /nfs/dbraw/zinc/20/33/98/354203398.db2.gz TYFUKLQNDWAEQI-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@@H]1CCCCO1 ZINC000311744419 354203400 /nfs/dbraw/zinc/20/34/00/354203400.db2.gz TYFUKLQNDWAEQI-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@@H]1CCCCO1 ZINC000311744419 354203402 /nfs/dbraw/zinc/20/34/02/354203402.db2.gz TYFUKLQNDWAEQI-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000311744419 354203406 /nfs/dbraw/zinc/20/34/06/354203406.db2.gz TYFUKLQNDWAEQI-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)NC2CCCCCC2)CCCO1 ZINC000313354072 354213978 /nfs/dbraw/zinc/21/39/78/354213978.db2.gz PWOTVQZXOVNBHD-CQSZACIVSA-N 2 2 283.416 0.875 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NC2CCCCCC2)CCCO1 ZINC000313354072 354213981 /nfs/dbraw/zinc/21/39/81/354213981.db2.gz PWOTVQZXOVNBHD-CQSZACIVSA-N 2 2 283.416 0.875 20 0 CCADLP CC1CCC(NC(=O)C[N@@H+]2CCCO[C@H](C[NH3+])C2)CC1 ZINC000313349151 354214339 /nfs/dbraw/zinc/21/43/39/354214339.db2.gz LFKFVXXILGLFSC-JXQTWKCFSA-N 2 2 283.416 0.731 20 0 CCADLP CC1CCC(NC(=O)C[N@H+]2CCCO[C@H](C[NH3+])C2)CC1 ZINC000313349151 354214343 /nfs/dbraw/zinc/21/43/43/354214343.db2.gz LFKFVXXILGLFSC-JXQTWKCFSA-N 2 2 283.416 0.731 20 0 CCADLP CC(C)[C@H](C)CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000557167163 291024043 /nfs/dbraw/zinc/02/40/43/291024043.db2.gz JTGDACQHWFIRRT-VXGBXAGGSA-N 2 2 256.394 0.563 20 0 CCADLP CC(C)[C@H](C)CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000557167163 291024046 /nfs/dbraw/zinc/02/40/46/291024046.db2.gz JTGDACQHWFIRRT-VXGBXAGGSA-N 2 2 256.394 0.563 20 0 CCADLP Cc1nc(NCC[NH+]2CCCCC2)nc(N(C)C)[nH+]1 ZINC000330201748 354306714 /nfs/dbraw/zinc/30/67/14/354306714.db2.gz YGWOHBVGGILBCK-UHFFFAOYSA-N 2 2 264.377 0.566 20 0 CCADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1cc[nH]n1 ZINC000330423880 354353282 /nfs/dbraw/zinc/35/32/82/354353282.db2.gz BZNOJPKNASHFST-UHFFFAOYSA-N 2 2 265.361 0.006 20 0 CCADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1cc[nH]n1 ZINC000330423880 354353284 /nfs/dbraw/zinc/35/32/84/354353284.db2.gz BZNOJPKNASHFST-UHFFFAOYSA-N 2 2 265.361 0.006 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000081309545 283017165 /nfs/dbraw/zinc/01/71/65/283017165.db2.gz HZSSLNFOYHBPMK-ZDUSSCGKSA-N 2 2 278.356 0.377 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000081309545 283017169 /nfs/dbraw/zinc/01/71/69/283017169.db2.gz HZSSLNFOYHBPMK-ZDUSSCGKSA-N 2 2 278.356 0.377 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000266798137 283017947 /nfs/dbraw/zinc/01/79/47/283017947.db2.gz DVBREEARFRGFNN-NEPJUHHUSA-N 2 2 278.356 0.446 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000266798137 283017951 /nfs/dbraw/zinc/01/79/51/283017951.db2.gz DVBREEARFRGFNN-NEPJUHHUSA-N 2 2 278.356 0.446 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000331065826 354435939 /nfs/dbraw/zinc/43/59/39/354435939.db2.gz XYEPTBQPEXTVEU-UHFFFAOYSA-N 2 2 284.404 0.786 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000331065826 354435940 /nfs/dbraw/zinc/43/59/40/354435940.db2.gz XYEPTBQPEXTVEU-UHFFFAOYSA-N 2 2 284.404 0.786 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000330539792 354400252 /nfs/dbraw/zinc/40/02/52/354400252.db2.gz RLZQKFCNBOXJAG-NEPJUHHUSA-N 2 2 264.373 0.902 20 0 CCADLP CN(C(=O)NCC(C)(C)[NH+]1CCOCC1)C1CC([NH3+])C1 ZINC000331502980 354592329 /nfs/dbraw/zinc/59/23/29/354592329.db2.gz ZLHZJMYCUSJHEY-UHFFFAOYSA-N 2 2 284.404 0.228 20 0 CCADLP CC[N@@H+]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000557524401 291034992 /nfs/dbraw/zinc/03/49/92/291034992.db2.gz GFLNHGOQCMAEIY-LLVKDONJSA-N 2 2 250.346 0.515 20 0 CCADLP CC[N@H+]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000557524401 291034993 /nfs/dbraw/zinc/03/49/93/291034993.db2.gz GFLNHGOQCMAEIY-LLVKDONJSA-N 2 2 250.346 0.515 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCc1[nH]cc[nH+]1 ZINC000332292819 354641404 /nfs/dbraw/zinc/64/14/04/354641404.db2.gz HVURXFWGSBLBNT-PHIMTYICSA-N 2 2 250.346 0.941 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCc1[nH]cc[nH+]1 ZINC000332292819 354641406 /nfs/dbraw/zinc/64/14/06/354641406.db2.gz HVURXFWGSBLBNT-PHIMTYICSA-N 2 2 250.346 0.941 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000333703161 354779118 /nfs/dbraw/zinc/77/91/18/354779118.db2.gz DQFRMPYMEUZXJS-ZFWWWQNUSA-N 2 2 298.431 0.396 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC[C@@H](OC2CCC2)C1 ZINC000655495622 412596277 /nfs/dbraw/zinc/59/62/77/412596277.db2.gz RIHONFMRNWOLPB-ZIAGYGMSSA-N 2 2 283.416 0.826 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](CC(=O)N(C2CC2)C2CCCC2)CCCO1 ZINC000333828105 354801821 /nfs/dbraw/zinc/80/18/21/354801821.db2.gz IXOQBCXGOQVBQO-HNNXBMFYSA-N 2 2 295.427 0.970 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)N(C2CC2)C2CCCC2)CCCO1 ZINC000333828105 354801823 /nfs/dbraw/zinc/80/18/23/354801823.db2.gz IXOQBCXGOQVBQO-HNNXBMFYSA-N 2 2 295.427 0.970 20 0 CCADLP Cn1cc(N2CC[N@H+](CC[C@@H]3CCC[NH2+]C3)CC2=O)cn1 ZINC000333863516 354807272 /nfs/dbraw/zinc/80/72/72/354807272.db2.gz QKLFWLWDIFXACM-ZDUSSCGKSA-N 2 2 291.399 0.458 20 0 CCADLP Cn1cc(N2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)CC2=O)cn1 ZINC000333863516 354807275 /nfs/dbraw/zinc/80/72/75/354807275.db2.gz QKLFWLWDIFXACM-ZDUSSCGKSA-N 2 2 291.399 0.458 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000608150555 363411226 /nfs/dbraw/zinc/41/12/26/363411226.db2.gz WQCLQWHSLWXHLB-ZIAGYGMSSA-N 2 2 281.400 0.261 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000608150555 363411230 /nfs/dbraw/zinc/41/12/30/363411230.db2.gz WQCLQWHSLWXHLB-ZIAGYGMSSA-N 2 2 281.400 0.261 20 0 CCADLP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000423596984 235015281 /nfs/dbraw/zinc/01/52/81/235015281.db2.gz SYIXUPRUHKKQDT-AAEUAGOBSA-N 2 2 285.351 0.995 20 0 CCADLP CN(C(=O)NCc1cn2ccccc2[nH+]1)C1CC([NH3+])C1 ZINC000335159919 354976143 /nfs/dbraw/zinc/97/61/43/354976143.db2.gz YYGCDJNFPJVIDI-UHFFFAOYSA-N 2 2 273.340 0.965 20 0 CCADLP C[C@]1([NH3+])CCCC[C@H]1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000423748169 235053678 /nfs/dbraw/zinc/05/36/78/235053678.db2.gz ANSSHSXQKJXHBE-DZKIICNBSA-N 2 2 295.427 0.873 20 0 CCADLP C[C@]1([NH3+])CCCC[C@H]1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000423748169 235053681 /nfs/dbraw/zinc/05/36/81/235053681.db2.gz ANSSHSXQKJXHBE-DZKIICNBSA-N 2 2 295.427 0.873 20 0 CCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)CCn1cc[nH+]c1 ZINC000335968914 355061543 /nfs/dbraw/zinc/06/15/43/355061543.db2.gz IFXIBAKYEWAMQR-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)CCn1cc[nH+]c1 ZINC000335968914 355061547 /nfs/dbraw/zinc/06/15/47/355061547.db2.gz IFXIBAKYEWAMQR-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP C[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000336308186 355113370 /nfs/dbraw/zinc/11/33/70/355113370.db2.gz LMQSHRKSVIAWTL-AAEUAGOBSA-N 2 2 251.374 0.776 20 0 CCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000336308186 355113373 /nfs/dbraw/zinc/11/33/73/355113373.db2.gz LMQSHRKSVIAWTL-AAEUAGOBSA-N 2 2 251.374 0.776 20 0 CCADLP C[C@H]1C[NH+](C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000336308186 355113376 /nfs/dbraw/zinc/11/33/76/355113376.db2.gz LMQSHRKSVIAWTL-AAEUAGOBSA-N 2 2 251.374 0.776 20 0 CCADLP C[C@H]1C[NH+](C)CCN1C(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000336308186 355113381 /nfs/dbraw/zinc/11/33/81/355113381.db2.gz LMQSHRKSVIAWTL-AAEUAGOBSA-N 2 2 251.374 0.776 20 0 CCADLP COc1ccc2c(c1)CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C2 ZINC000655504316 412602812 /nfs/dbraw/zinc/60/28/12/412602812.db2.gz QSAFFHCJOCSVDX-CQSZACIVSA-N 2 2 277.368 0.816 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+](C)CCOCC1CC1)C1CC1 ZINC000336793022 355166223 /nfs/dbraw/zinc/16/62/23/355166223.db2.gz VDGJCTXBBHTDJW-AWEZNQCLSA-N 2 2 256.390 0.800 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+](C)CCOCC1CC1)C1CC1 ZINC000336793022 355166229 /nfs/dbraw/zinc/16/62/29/355166229.db2.gz VDGJCTXBBHTDJW-AWEZNQCLSA-N 2 2 256.390 0.800 20 0 CCADLP C[NH+](CCOCC1CC1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336793022 355166232 /nfs/dbraw/zinc/16/62/32/355166232.db2.gz VDGJCTXBBHTDJW-AWEZNQCLSA-N 2 2 256.390 0.800 20 0 CCADLP C[NH+](CCOCC1CC1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336793022 355166236 /nfs/dbraw/zinc/16/62/36/355166236.db2.gz VDGJCTXBBHTDJW-AWEZNQCLSA-N 2 2 256.390 0.800 20 0 CCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424138055 235158530 /nfs/dbraw/zinc/15/85/30/235158530.db2.gz BREMZVACXXOYAW-BNOWGMLFSA-N 2 2 274.368 0.634 20 0 CCADLP C([C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1)[NH+]1CCOCC1 ZINC000336709682 355144872 /nfs/dbraw/zinc/14/48/72/355144872.db2.gz MIGLMKFOXXVKTM-KBPBESRZSA-N 2 2 254.374 0.677 20 0 CCADLP C([C@@H]1CC[N@H+](C[C@@H]2CCOC2)C1)[NH+]1CCOCC1 ZINC000336709682 355144875 /nfs/dbraw/zinc/14/48/75/355144875.db2.gz MIGLMKFOXXVKTM-KBPBESRZSA-N 2 2 254.374 0.677 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@]12CCOC2)C1CC1 ZINC000336796069 355169212 /nfs/dbraw/zinc/16/92/12/355169212.db2.gz PDWSEPUVAQOATL-ZIAGYGMSSA-N 2 2 254.374 0.696 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@]12CCOC2)C1CC1 ZINC000336796069 355169213 /nfs/dbraw/zinc/16/92/13/355169213.db2.gz PDWSEPUVAQOATL-ZIAGYGMSSA-N 2 2 254.374 0.696 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@]12CCOC2)C1CC1 ZINC000336796069 355169214 /nfs/dbraw/zinc/16/92/14/355169214.db2.gz PDWSEPUVAQOATL-ZIAGYGMSSA-N 2 2 254.374 0.696 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@]12CCOC2)C1CC1 ZINC000336796069 355169215 /nfs/dbraw/zinc/16/92/15/355169215.db2.gz PDWSEPUVAQOATL-ZIAGYGMSSA-N 2 2 254.374 0.696 20 0 CCADLP Cc1cc[nH+]c(N2CC[NH+](C[C@@H]3COCCO3)CC2)c1 ZINC000336825268 355200300 /nfs/dbraw/zinc/20/03/00/355200300.db2.gz XVGRXZCCDZCEIF-CQSZACIVSA-N 2 2 277.368 0.927 20 0 CCADLP Cc1cnn(CC[NH+]2CCN(c3[nH+]ccn3C)CC2)c1 ZINC000336829850 355204767 /nfs/dbraw/zinc/20/47/67/355204767.db2.gz IZDLODLVKUMIRC-UHFFFAOYSA-N 2 2 274.372 0.747 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000336903626 355224139 /nfs/dbraw/zinc/22/41/39/355224139.db2.gz YIICRJMCXHYFHN-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000336903626 355224140 /nfs/dbraw/zinc/22/41/40/355224140.db2.gz YIICRJMCXHYFHN-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP COCC[NH+]1CCC([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC000424372969 235201155 /nfs/dbraw/zinc/20/11/55/235201155.db2.gz XDKJTRUPFWIVBX-LBPRGKRZSA-N 3 2 291.386 0.932 20 0 CCADLP CC[NH+](CC)CCC[NH2+][C@@H](CO)c1cnn(C)c1 ZINC000338293263 355312555 /nfs/dbraw/zinc/31/25/55/355312555.db2.gz UEIJCGHSRBVYJQ-ZDUSSCGKSA-N 2 2 254.378 0.775 20 0 CCADLP COc1ccc(C[N@H+](C)C2CC[NH+](CCO)CC2)nn1 ZINC000338309133 355317135 /nfs/dbraw/zinc/31/71/35/355317135.db2.gz TZQWKOGTLYWFCV-UHFFFAOYSA-N 2 2 280.372 0.374 20 0 CCADLP COc1ccc(C[N@@H+](C)C2CC[NH+](CCO)CC2)nn1 ZINC000338309133 355317139 /nfs/dbraw/zinc/31/71/39/355317139.db2.gz TZQWKOGTLYWFCV-UHFFFAOYSA-N 2 2 280.372 0.374 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCOCC23CC3)CC1 ZINC000338591073 355373289 /nfs/dbraw/zinc/37/32/89/355373289.db2.gz HYMSBVHQJNIHSQ-UHFFFAOYSA-N 2 2 267.373 0.015 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCOCC23CC3)CC1 ZINC000338591073 355373294 /nfs/dbraw/zinc/37/32/94/355373294.db2.gz HYMSBVHQJNIHSQ-UHFFFAOYSA-N 2 2 267.373 0.015 20 0 CCADLP C[C@@H](C[NH+]1CC[C@](F)(CO)C1)C[N@H+]1CC[C@@](F)(CO)C1 ZINC000338626037 355383047 /nfs/dbraw/zinc/38/30/47/355383047.db2.gz PNKBOJYKVHXYDS-BTTYYORXSA-N 2 2 292.370 0.435 20 0 CCADLP C[C@H](C[NH+]1CC[C@@](F)(CO)C1)C[N@@H+]1CC[C@](F)(CO)C1 ZINC000338626037 355383049 /nfs/dbraw/zinc/38/30/49/355383049.db2.gz PNKBOJYKVHXYDS-BTTYYORXSA-N 2 2 292.370 0.435 20 0 CCADLP C[C@H](C[NH+]1CC[C@@](F)(CO)C1)C[N@H+]1CC[C@](F)(CO)C1 ZINC000338626037 355383051 /nfs/dbraw/zinc/38/30/51/355383051.db2.gz PNKBOJYKVHXYDS-BTTYYORXSA-N 2 2 292.370 0.435 20 0 CCADLP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+]CCC(=O)NC(N)=O ZINC000558656959 291065667 /nfs/dbraw/zinc/06/56/67/291065667.db2.gz ANAUROVLEFBIBY-ZDUSSCGKSA-N 2 2 292.383 0.334 20 0 CCADLP Cn1cc[nH+]c1N1CCC(NC(=O)C[NH+](C)C)CC1 ZINC000338879785 355443258 /nfs/dbraw/zinc/44/32/58/355443258.db2.gz HGQAQVNLIFKEGP-UHFFFAOYSA-N 2 2 265.361 0.067 20 0 CCADLP C[C@H](O)CNc1cc(N2CCC[C@H]3C[N@H+](C)C[C@H]32)nc[nH+]1 ZINC000425278024 235279948 /nfs/dbraw/zinc/27/99/48/235279948.db2.gz DHOYGFYKIZMECH-RWMBFGLXSA-N 2 2 291.399 0.800 20 0 CCADLP C[C@H](O)CNc1cc(N2CCC[C@H]3C[N@@H+](C)C[C@H]32)nc[nH+]1 ZINC000425278024 235279951 /nfs/dbraw/zinc/27/99/51/235279951.db2.gz DHOYGFYKIZMECH-RWMBFGLXSA-N 2 2 291.399 0.800 20 0 CCADLP C[C@H](C(=O)NC(C)(C)CCC[NH3+])[NH+]1CCOCC1 ZINC000340129886 355508992 /nfs/dbraw/zinc/50/89/92/355508992.db2.gz AIPVXZOCMPNAQA-LLVKDONJSA-N 2 2 257.378 0.341 20 0 CCADLP CS(=O)(=O)NCC[N@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000340221891 355528445 /nfs/dbraw/zinc/52/84/45/355528445.db2.gz YQUAYGDENYUVTM-UHFFFAOYSA-N 2 2 286.401 0.287 20 0 CCADLP CS(=O)(=O)NCC[N@@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000340221891 355528453 /nfs/dbraw/zinc/52/84/53/355528453.db2.gz YQUAYGDENYUVTM-UHFFFAOYSA-N 2 2 286.401 0.287 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000341118232 355609492 /nfs/dbraw/zinc/60/94/92/355609492.db2.gz IABCYLILQXMXQU-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000341118232 355609495 /nfs/dbraw/zinc/60/94/95/355609495.db2.gz IABCYLILQXMXQU-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH+]1CCC[C@H]1CNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000341118232 355609497 /nfs/dbraw/zinc/60/94/97/355609497.db2.gz IABCYLILQXMXQU-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CCCCNc1cc(NCC[NH+](C)C)nc(N)[nH+]1 ZINC000341274485 355643750 /nfs/dbraw/zinc/64/37/50/355643750.db2.gz DMMXISPWLWBJHS-UHFFFAOYSA-N 2 2 252.366 0.497 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000341710643 355719650 /nfs/dbraw/zinc/71/96/50/355719650.db2.gz NMIPHUYNOSLOHN-STQMWFEESA-N 2 2 291.461 0.035 20 0 CCADLP CN(C)C(=O)c1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)[nH]1 ZINC000427136818 235353701 /nfs/dbraw/zinc/35/37/01/235353701.db2.gz MHVJRCJWENMNIO-DGCLKSJQSA-N 2 2 276.384 0.900 20 0 CCADLP CN(C)C(=O)c1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)[nH]1 ZINC000427136818 235353704 /nfs/dbraw/zinc/35/37/04/235353704.db2.gz MHVJRCJWENMNIO-DGCLKSJQSA-N 2 2 276.384 0.900 20 0 CCADLP COC[C@@H](O)C[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000342776206 355743285 /nfs/dbraw/zinc/74/32/85/355743285.db2.gz GRDUNOSMDBIHRV-ZDUSSCGKSA-N 2 2 288.388 0.001 20 0 CCADLP Cc1c[nH+]c(CNC2(CCO)CC[NH+](C)CC2)n1C ZINC000342798561 355748613 /nfs/dbraw/zinc/74/86/13/355748613.db2.gz VNYNVFJXQHSPAH-UHFFFAOYSA-N 2 2 266.389 0.665 20 0 CCADLP CS[C@@H]1CN([C@H](C)C[NH+]2CCOCC2)C[C@@H]1[NH+](C)C ZINC000343618265 355776151 /nfs/dbraw/zinc/77/61/51/355776151.db2.gz FCLOHHBPLBFYAD-HZSPNIEDSA-N 2 2 287.473 0.685 20 0 CCADLP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343886634 355778688 /nfs/dbraw/zinc/77/86/88/355778688.db2.gz KETYHQZFSYRKMH-QLFBSQMISA-N 2 2 296.459 0.421 20 0 CCADLP NC(=O)C[C@H]([NH2+]CCCn1cc[nH+]c1)C1CCOCC1 ZINC000348281301 355903102 /nfs/dbraw/zinc/90/31/02/355903102.db2.gz XSZCHWWYLJUOKL-ZDUSSCGKSA-N 2 2 280.372 0.533 20 0 CCADLP CC[C@@H]1CC[C@H]1[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000348367508 355920707 /nfs/dbraw/zinc/92/07/07/355920707.db2.gz COVPCCVVFNIWOP-QLFBSQMISA-N 2 2 295.427 0.698 20 0 CCADLP CC[N@H+](CCNC(=O)NC[C@H]1CN(C)CC[NH+]1C)C(C)C ZINC000348386401 355923207 /nfs/dbraw/zinc/92/32/07/355923207.db2.gz VOZSSNYWPATQJK-AWEZNQCLSA-N 2 2 299.463 0.262 20 0 CCADLP CC[N@@H+](CCNC(=O)NC[C@H]1CN(C)CC[NH+]1C)C(C)C ZINC000348386401 355923210 /nfs/dbraw/zinc/92/32/10/355923210.db2.gz VOZSSNYWPATQJK-AWEZNQCLSA-N 2 2 299.463 0.262 20 0 CCADLP CC[NH+](CCNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)C(C)C ZINC000348386401 355923213 /nfs/dbraw/zinc/92/32/13/355923213.db2.gz VOZSSNYWPATQJK-AWEZNQCLSA-N 2 2 299.463 0.262 20 0 CCADLP CC[NH+](CCNC(=O)NC[C@H]1CN(C)CC[N@H+]1C)C(C)C ZINC000348386401 355923215 /nfs/dbraw/zinc/92/32/15/355923215.db2.gz VOZSSNYWPATQJK-AWEZNQCLSA-N 2 2 299.463 0.262 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000347543530 355880008 /nfs/dbraw/zinc/88/00/08/355880008.db2.gz QUPXOXAGOOEEKD-STQMWFEESA-N 2 2 289.445 0.614 20 0 CCADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000347543530 355880013 /nfs/dbraw/zinc/88/00/13/355880013.db2.gz QUPXOXAGOOEEKD-STQMWFEESA-N 2 2 289.445 0.614 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000347543530 355880016 /nfs/dbraw/zinc/88/00/16/355880016.db2.gz QUPXOXAGOOEEKD-STQMWFEESA-N 2 2 289.445 0.614 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000347543530 355880019 /nfs/dbraw/zinc/88/00/19/355880019.db2.gz QUPXOXAGOOEEKD-STQMWFEESA-N 2 2 289.445 0.614 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]Cc1cc(C(=O)OC)n(C)c1 ZINC000348217855 355890069 /nfs/dbraw/zinc/89/00/69/355890069.db2.gz HQPLQCIDNKWKLF-UHFFFAOYSA-N 2 2 283.372 0.216 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]Cc1cc(C(=O)OC)n(C)c1 ZINC000348217855 355890072 /nfs/dbraw/zinc/89/00/72/355890072.db2.gz HQPLQCIDNKWKLF-UHFFFAOYSA-N 2 2 283.372 0.216 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000352556912 356014432 /nfs/dbraw/zinc/01/44/32/356014432.db2.gz HARXZPJCWSRDJV-GFCCVEGCSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000352556912 356014433 /nfs/dbraw/zinc/01/44/33/356014433.db2.gz HARXZPJCWSRDJV-GFCCVEGCSA-N 2 2 286.420 0.347 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)C1 ZINC000352916456 356111514 /nfs/dbraw/zinc/11/15/14/356111514.db2.gz UDGDOIXFVLEVLD-OAHLLOKOSA-N 2 2 291.351 0.174 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)C1 ZINC000352916456 356111519 /nfs/dbraw/zinc/11/15/19/356111519.db2.gz UDGDOIXFVLEVLD-OAHLLOKOSA-N 2 2 291.351 0.174 20 0 CCADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@H](O)C(F)F)s1 ZINC000352754486 356071108 /nfs/dbraw/zinc/07/11/08/356071108.db2.gz IXIDPXVGDAMNIS-QMMMGPOBSA-N 2 2 265.329 0.920 20 0 CCADLP C[NH+](C)Cc1cnc(C[NH2+]CCNc2cnccn2)s1 ZINC000352755656 356071162 /nfs/dbraw/zinc/07/11/62/356071162.db2.gz MYCRVSNZGPDZDI-UHFFFAOYSA-N 2 2 292.412 0.618 20 0 CCADLP CCc1ccc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)cn1 ZINC000352780592 356078070 /nfs/dbraw/zinc/07/80/70/356078070.db2.gz YFQSTYCTUBLTOL-HNNXBMFYSA-N 2 2 262.401 0.979 20 0 CCADLP CCc1ccc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cn1 ZINC000352780592 356078075 /nfs/dbraw/zinc/07/80/75/356078075.db2.gz YFQSTYCTUBLTOL-HNNXBMFYSA-N 2 2 262.401 0.979 20 0 CCADLP COC[C@H](CCO)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352786824 356080014 /nfs/dbraw/zinc/08/00/14/356080014.db2.gz KHRZWZPYMGZIHR-JTQLQIEISA-N 2 2 273.402 0.692 20 0 CCADLP CCCC[C@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000353201997 356177778 /nfs/dbraw/zinc/17/77/78/356177778.db2.gz IPTLBZWURKWRGK-OLZOCXBDSA-N 2 2 299.415 0.600 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](COC(F)F)C2)CC1 ZINC000353020941 356139869 /nfs/dbraw/zinc/13/98/69/356139869.db2.gz IYJJEMCFPPMPBE-LLVKDONJSA-N 2 2 291.342 0.322 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](COC(F)F)C2)CC1 ZINC000353020941 356139872 /nfs/dbraw/zinc/13/98/72/356139872.db2.gz IYJJEMCFPPMPBE-LLVKDONJSA-N 2 2 291.342 0.322 20 0 CCADLP COc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)cc1O ZINC000353390488 356214572 /nfs/dbraw/zinc/21/45/72/356214572.db2.gz UWFJMCIWJXASJS-ZYHUDNBSSA-N 2 2 268.357 0.974 20 0 CCADLP C[NH+]1CCO[C@H](CNC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)C1 ZINC000353398535 356215221 /nfs/dbraw/zinc/21/52/21/356215221.db2.gz ZXLFXBSHAGZXAI-MJBXVCDLSA-N 2 2 296.415 0.053 20 0 CCADLP C[NH+]1CCO[C@H](CNC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)C1 ZINC000353398535 356215224 /nfs/dbraw/zinc/21/52/24/356215224.db2.gz ZXLFXBSHAGZXAI-MJBXVCDLSA-N 2 2 296.415 0.053 20 0 CCADLP C[NH+]1CC[C@H]2CCN(C(=O)NC[C@@H]3C[N@H+](C)CCO3)[C@H]2C1 ZINC000353398535 356215227 /nfs/dbraw/zinc/21/52/27/356215227.db2.gz ZXLFXBSHAGZXAI-MJBXVCDLSA-N 2 2 296.415 0.053 20 0 CCADLP C[NH+]1CC[C@H]2CCN(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)[C@H]2C1 ZINC000353398535 356215230 /nfs/dbraw/zinc/21/52/30/356215230.db2.gz ZXLFXBSHAGZXAI-MJBXVCDLSA-N 2 2 296.415 0.053 20 0 CCADLP CC1CC[NH+](C[C@@H](O)CNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000353407293 356216282 /nfs/dbraw/zinc/21/62/82/356216282.db2.gz FDHORARBLFOVOV-ZDUSSCGKSA-N 2 2 294.399 0.551 20 0 CCADLP CCCC[C@H]([NH3+])C(=O)N1CCC[N@H+](CC(=O)NCC)CC1 ZINC000353474453 356232506 /nfs/dbraw/zinc/23/25/06/356232506.db2.gz VIUCMPTWEYXPFG-ZDUSSCGKSA-N 2 2 298.431 0.174 20 0 CCADLP CCCC[C@H]([NH3+])C(=O)N1CCC[N@@H+](CC(=O)NCC)CC1 ZINC000353474453 356232510 /nfs/dbraw/zinc/23/25/10/356232510.db2.gz VIUCMPTWEYXPFG-ZDUSSCGKSA-N 2 2 298.431 0.174 20 0 CCADLP O=C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)NC(C1CC1)C1CC1 ZINC000360565734 138000740 /nfs/dbraw/zinc/00/07/40/138000740.db2.gz VYAMNXGCDIHRTR-MRXNPFEDSA-N 2 2 277.412 0.977 20 0 CCADLP O=C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)NC(C1CC1)C1CC1 ZINC000360565734 138000741 /nfs/dbraw/zinc/00/07/41/138000741.db2.gz VYAMNXGCDIHRTR-MRXNPFEDSA-N 2 2 277.412 0.977 20 0 CCADLP Cc1nn(C)c(C)c1C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000353348745 356207278 /nfs/dbraw/zinc/20/72/78/356207278.db2.gz FAQYEBITXDQJAE-UHFFFAOYSA-N 2 2 280.416 0.925 20 0 CCADLP Cc1nn(C)c(C)c1C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000353348745 356207280 /nfs/dbraw/zinc/20/72/80/356207280.db2.gz FAQYEBITXDQJAE-UHFFFAOYSA-N 2 2 280.416 0.925 20 0 CCADLP CCCC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000353589744 356255688 /nfs/dbraw/zinc/25/56/88/356255688.db2.gz NENMEWJCDUEEBI-LBPRGKRZSA-N 2 2 271.405 0.731 20 0 CCADLP CCCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000353589744 356255691 /nfs/dbraw/zinc/25/56/91/356255691.db2.gz NENMEWJCDUEEBI-LBPRGKRZSA-N 2 2 271.405 0.731 20 0 CCADLP C[N@@H+]1CCC[C@@H](C[NH2+][C@H](CS(C)(=O)=O)C2CC2)C1 ZINC000559765844 291087741 /nfs/dbraw/zinc/08/77/41/291087741.db2.gz DDQMDJCSIQQYMP-WCQYABFASA-N 2 2 274.430 0.741 20 0 CCADLP C[N@H+]1CCC[C@@H](C[NH2+][C@H](CS(C)(=O)=O)C2CC2)C1 ZINC000559765844 291087743 /nfs/dbraw/zinc/08/77/43/291087743.db2.gz DDQMDJCSIQQYMP-WCQYABFASA-N 2 2 274.430 0.741 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)N(C)CC[NH+]1CCOCC1 ZINC000353633477 356262069 /nfs/dbraw/zinc/26/20/69/356262069.db2.gz HBLGDUAWHNDVRV-LBPRGKRZSA-N 2 2 257.378 0.150 20 0 CCADLP CC[C@H]1CN(C(=O)C2([NH3+])CC2)C[C@H]1[NH+]1CCOCC1 ZINC000353723314 356280743 /nfs/dbraw/zinc/28/07/43/356280743.db2.gz IMCULYYJVABMQX-NWDGAFQWSA-N 2 2 267.373 0.047 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000353760545 356287777 /nfs/dbraw/zinc/28/77/77/356287777.db2.gz IWTLJGCCOPMOAG-NEPJUHHUSA-N 2 2 278.356 0.207 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC000353760545 356287781 /nfs/dbraw/zinc/28/77/81/356287781.db2.gz IWTLJGCCOPMOAG-NEPJUHHUSA-N 2 2 278.356 0.207 20 0 CCADLP CNC(=O)C[N@@H+]1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC000361257840 138026146 /nfs/dbraw/zinc/02/61/46/138026146.db2.gz LGGDVJZLTDFOOP-UHFFFAOYSA-N 2 2 291.399 0.660 20 0 CCADLP CNC(=O)C[N@H+]1CCCN(c2nc(C)[nH+]c(C)c2C)CC1 ZINC000361257840 138026147 /nfs/dbraw/zinc/02/61/47/138026147.db2.gz LGGDVJZLTDFOOP-UHFFFAOYSA-N 2 2 291.399 0.660 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000361860475 138037164 /nfs/dbraw/zinc/03/71/64/138037164.db2.gz YBFRLMJGXFQBPD-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NCC[NH+]2CCOCC2)CC[N@H+]1C ZINC000361860475 138037165 /nfs/dbraw/zinc/03/71/65/138037165.db2.gz YBFRLMJGXFQBPD-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP CC(C)[NH+]1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1 ZINC000354080041 356343814 /nfs/dbraw/zinc/34/38/14/356343814.db2.gz OVOKBKOLTLRBLV-UHFFFAOYSA-N 2 2 291.399 0.844 20 0 CCADLP CN(CCC[NH+](C)C)C(=O)NCc1c[nH+]cn1C ZINC000573976241 334982181 /nfs/dbraw/zinc/98/21/81/334982181.db2.gz JIDTVCNHLTUDLU-UHFFFAOYSA-N 2 2 253.350 0.513 20 0 CCADLP Cc1nc(NC[C@@H]2CCC[N@H+](C)C2)nc(N(C)C)[nH+]1 ZINC000532269002 358502909 /nfs/dbraw/zinc/50/29/09/358502909.db2.gz VUYKLIFARFODLE-NSHDSACASA-N 2 2 264.377 0.422 20 0 CCADLP Cc1nc(NC[C@@H]2CCC[N@@H+](C)C2)nc(N(C)C)[nH+]1 ZINC000532269002 358502914 /nfs/dbraw/zinc/50/29/14/358502914.db2.gz VUYKLIFARFODLE-NSHDSACASA-N 2 2 264.377 0.422 20 0 CCADLP Cc1nc(N(C)C)nc(NC[C@@H]2CCC[N@H+](C)C2)[nH+]1 ZINC000532269002 358502917 /nfs/dbraw/zinc/50/29/17/358502917.db2.gz VUYKLIFARFODLE-NSHDSACASA-N 2 2 264.377 0.422 20 0 CCADLP Cc1nc(N(C)C)nc(NC[C@@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000532269002 358502921 /nfs/dbraw/zinc/50/29/21/358502921.db2.gz VUYKLIFARFODLE-NSHDSACASA-N 2 2 264.377 0.422 20 0 CCADLP CC1CC[NH+](CC(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000354331951 356391260 /nfs/dbraw/zinc/39/12/60/356391260.db2.gz SOCFGWKIKNJHNT-AWEZNQCLSA-N 2 2 283.416 0.555 20 0 CCADLP CC1CC[NH+](CC(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000354331951 356391262 /nfs/dbraw/zinc/39/12/62/356391262.db2.gz SOCFGWKIKNJHNT-AWEZNQCLSA-N 2 2 283.416 0.555 20 0 CCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000362470314 138061042 /nfs/dbraw/zinc/06/10/42/138061042.db2.gz VNVDPBAPLBMDCE-KGLIPLIRSA-N 2 2 283.416 0.507 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000362470314 138061043 /nfs/dbraw/zinc/06/10/43/138061043.db2.gz VNVDPBAPLBMDCE-KGLIPLIRSA-N 2 2 283.416 0.507 20 0 CCADLP Cc1nc(NC[C@H]2CCC[N@H+](C)C2)nc(N(C)C)[nH+]1 ZINC000532268999 358502386 /nfs/dbraw/zinc/50/23/86/358502386.db2.gz VUYKLIFARFODLE-LLVKDONJSA-N 2 2 264.377 0.422 20 0 CCADLP Cc1nc(NC[C@H]2CCC[N@@H+](C)C2)nc(N(C)C)[nH+]1 ZINC000532268999 358502390 /nfs/dbraw/zinc/50/23/90/358502390.db2.gz VUYKLIFARFODLE-LLVKDONJSA-N 2 2 264.377 0.422 20 0 CCADLP Cc1nc(N(C)C)nc(NC[C@H]2CCC[N@H+](C)C2)[nH+]1 ZINC000532268999 358502395 /nfs/dbraw/zinc/50/23/95/358502395.db2.gz VUYKLIFARFODLE-LLVKDONJSA-N 2 2 264.377 0.422 20 0 CCADLP Cc1nc(N(C)C)nc(NC[C@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000532268999 358502400 /nfs/dbraw/zinc/50/24/00/358502400.db2.gz VUYKLIFARFODLE-LLVKDONJSA-N 2 2 264.377 0.422 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000362849884 138077518 /nfs/dbraw/zinc/07/75/18/138077518.db2.gz IJGOOLKYWAISQV-CHWSQXEVSA-N 2 2 291.399 0.252 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000362849884 138077519 /nfs/dbraw/zinc/07/75/19/138077519.db2.gz IJGOOLKYWAISQV-CHWSQXEVSA-N 2 2 291.399 0.252 20 0 CCADLP Cc1nc(NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c(C)c(C)[nH+]1 ZINC000354376844 356401912 /nfs/dbraw/zinc/40/19/12/356401912.db2.gz DLNCTCZMKYRIHZ-CYBMUJFWSA-N 2 2 291.399 0.575 20 0 CCADLP Cc1nc(NCCC[N@H+]2CCC[C@@H]2C(N)=O)c(C)c(C)[nH+]1 ZINC000354376844 356401915 /nfs/dbraw/zinc/40/19/15/356401915.db2.gz DLNCTCZMKYRIHZ-CYBMUJFWSA-N 2 2 291.399 0.575 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)NC2CC2)CCN1C1CC[NH+](C)CC1 ZINC000355075087 356568935 /nfs/dbraw/zinc/56/89/35/356568935.db2.gz VWYRLZBSKVXJGY-CYBMUJFWSA-N 2 2 294.443 0.365 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)CCN1C1CC[NH+](C)CC1 ZINC000355075087 356568936 /nfs/dbraw/zinc/56/89/36/356568936.db2.gz VWYRLZBSKVXJGY-CYBMUJFWSA-N 2 2 294.443 0.365 20 0 CCADLP CN1C[C@@H](C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)OC1=O ZINC000495733958 283193010 /nfs/dbraw/zinc/19/30/10/283193010.db2.gz YSPXHGMMKPQOON-GXTWGEPZSA-N 2 2 267.373 0.855 20 0 CCADLP CN1C[C@@H](C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)OC1=O ZINC000495733958 283193014 /nfs/dbraw/zinc/19/30/14/283193014.db2.gz YSPXHGMMKPQOON-GXTWGEPZSA-N 2 2 267.373 0.855 20 0 CCADLP CN1C[C@@H](C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)OC1=O ZINC000495733958 283193015 /nfs/dbraw/zinc/19/30/15/283193015.db2.gz YSPXHGMMKPQOON-GXTWGEPZSA-N 2 2 267.373 0.855 20 0 CCADLP CN1C[C@@H](C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)OC1=O ZINC000495733958 283193017 /nfs/dbraw/zinc/19/30/17/283193017.db2.gz YSPXHGMMKPQOON-GXTWGEPZSA-N 2 2 267.373 0.855 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC000355864694 356662055 /nfs/dbraw/zinc/66/20/55/356662055.db2.gz OMQDYXHSGNVXEY-LLVKDONJSA-N 2 2 280.372 0.950 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC[N@@H+]1CCO ZINC000355945100 356673301 /nfs/dbraw/zinc/67/33/01/356673301.db2.gz SYPWIWKJAUKTJD-STQMWFEESA-N 2 2 292.383 0.286 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC[N@H+]1CCO ZINC000355945100 356673306 /nfs/dbraw/zinc/67/33/06/356673306.db2.gz SYPWIWKJAUKTJD-STQMWFEESA-N 2 2 292.383 0.286 20 0 CCADLP CCN1CCN(C(=O)C[NH+](C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000356037357 356690853 /nfs/dbraw/zinc/69/08/53/356690853.db2.gz QEEORUWGMVNPBO-NSHDSACASA-N 2 2 265.361 0.177 20 0 CCADLP CC(C)c1cc(NC[C@@H]2C[N@H+](C)CCO2)nc(N(C)C)[nH+]1 ZINC000360988643 535338764 /nfs/dbraw/zinc/33/87/64/535338764.db2.gz ZYHVCMNICSQDIV-GFCCVEGCSA-N 2 2 293.415 0.830 20 0 CCADLP CC(C)c1cc(NC[C@@H]2C[N@@H+](C)CCO2)nc(N(C)C)[nH+]1 ZINC000360988643 535338766 /nfs/dbraw/zinc/33/87/66/535338766.db2.gz ZYHVCMNICSQDIV-GFCCVEGCSA-N 2 2 293.415 0.830 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)NCCNc1cc[nH+]cc1 ZINC000356209225 356723389 /nfs/dbraw/zinc/72/33/89/356723389.db2.gz DFRHVOSHBYYSPR-UHFFFAOYSA-N 2 2 271.324 0.862 20 0 CCADLP Cc1cn[nH]c1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000356331584 356747239 /nfs/dbraw/zinc/74/72/39/356747239.db2.gz FCPDHRFOVBSIIL-UHFFFAOYSA-N 2 2 265.405 0.787 20 0 CCADLP Cc1c[nH]nc1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000356331584 356747241 /nfs/dbraw/zinc/74/72/41/356747241.db2.gz FCPDHRFOVBSIIL-UHFFFAOYSA-N 2 2 265.405 0.787 20 0 CCADLP Cc1c[nH]nc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000356331584 356747245 /nfs/dbraw/zinc/74/72/45/356747245.db2.gz FCPDHRFOVBSIIL-UHFFFAOYSA-N 2 2 265.405 0.787 20 0 CCADLP Cn1cc(N2CC[C@H]([N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2=O)cn1 ZINC000357078760 356768856 /nfs/dbraw/zinc/76/88/56/356768856.db2.gz LZHCLCOMIVJGIS-DYEKYZERSA-N 2 2 289.383 0.067 20 0 CCADLP Cn1cc(N2CC[C@H]([N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2=O)cn1 ZINC000357078760 356768861 /nfs/dbraw/zinc/76/88/61/356768861.db2.gz LZHCLCOMIVJGIS-DYEKYZERSA-N 2 2 289.383 0.067 20 0 CCADLP C[C@H](C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)CS(C)(=O)=O ZINC000357079393 356768911 /nfs/dbraw/zinc/76/89/11/356768911.db2.gz SGXNPIODNTXAKF-WOPDTQHZSA-N 2 2 260.403 0.208 20 0 CCADLP C[C@H](C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)CS(C)(=O)=O ZINC000357079393 356768914 /nfs/dbraw/zinc/76/89/14/356768914.db2.gz SGXNPIODNTXAKF-WOPDTQHZSA-N 2 2 260.403 0.208 20 0 CCADLP CC[C@@H](C(=O)NCC[N@@H+]1CCO[C@@H](C)C1)[NH+](C)C ZINC000532473607 358511758 /nfs/dbraw/zinc/51/17/58/358511758.db2.gz XYUZDWIRNPHGOP-RYUDHWBXSA-N 2 2 257.378 0.164 20 0 CCADLP CC[C@@H](C(=O)NCC[N@H+]1CCO[C@@H](C)C1)[NH+](C)C ZINC000532473607 358511760 /nfs/dbraw/zinc/51/17/60/358511760.db2.gz XYUZDWIRNPHGOP-RYUDHWBXSA-N 2 2 257.378 0.164 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359297719 356797040 /nfs/dbraw/zinc/79/70/40/356797040.db2.gz DOBATXNDCSOASK-SDDRHHMPSA-N 2 2 282.388 0.008 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359297719 356797043 /nfs/dbraw/zinc/79/70/43/356797043.db2.gz DOBATXNDCSOASK-SDDRHHMPSA-N 2 2 282.388 0.008 20 0 CCADLP COc1coc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1=O ZINC000359321408 356801986 /nfs/dbraw/zinc/80/19/86/356801986.db2.gz LXNPHFKPSNZLHX-NXEZZACHSA-N 2 2 250.298 0.300 20 0 CCADLP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@H]1COCC[NH+]1CC ZINC000359743315 356882959 /nfs/dbraw/zinc/88/29/59/356882959.db2.gz MWYBYAVSEMZZHK-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@H]1COCC[NH+]1CC ZINC000359743315 356882962 /nfs/dbraw/zinc/88/29/62/356882962.db2.gz MWYBYAVSEMZZHK-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP CCC[NH+](CC)C[C@H](C)NC(=O)[C@H]1COCC[N@@H+]1CC ZINC000359743315 356882965 /nfs/dbraw/zinc/88/29/65/356882965.db2.gz MWYBYAVSEMZZHK-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP CCC[NH+](CC)C[C@H](C)NC(=O)[C@H]1COCC[N@H+]1CC ZINC000359743315 356882968 /nfs/dbraw/zinc/88/29/68/356882968.db2.gz MWYBYAVSEMZZHK-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP CCNC(=O)[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655683648 412645521 /nfs/dbraw/zinc/64/55/21/412645521.db2.gz TWJOYAZXDUGWLY-TZMCWYRMSA-N 2 2 283.416 0.744 20 0 CCADLP CCCN(CC[NH+](C)C)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000339814940 283229565 /nfs/dbraw/zinc/22/95/65/283229565.db2.gz RXHVIRUOLJWOBF-ZDUSSCGKSA-N 2 2 271.405 0.507 20 0 CCADLP CCCNC(=O)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655682408 412646244 /nfs/dbraw/zinc/64/62/44/412646244.db2.gz DVLJPYWXPIDQSC-AWEZNQCLSA-N 2 2 283.416 0.746 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000360175240 356964296 /nfs/dbraw/zinc/96/42/96/356964296.db2.gz IUZNFMFLTPUWSE-JTQLQIEISA-N 2 2 268.386 0.818 20 0 CCADLP COCCN(C)CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655708195 412647186 /nfs/dbraw/zinc/64/71/86/412647186.db2.gz JRSNZAJMCFDTSZ-INIZCTEOSA-N 2 2 299.459 0.798 20 0 CCADLP C[C@@H](CC(N)=O)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000360446945 357013483 /nfs/dbraw/zinc/01/34/83/357013483.db2.gz VJONWUSALCTSQM-LBPRGKRZSA-N 2 2 276.384 0.900 20 0 CCADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@H](O)CO ZINC000364055968 357081844 /nfs/dbraw/zinc/08/18/44/357081844.db2.gz OCININYPUPMASA-VHDGCEQUSA-N 2 2 264.369 0.450 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@H](O)CO ZINC000364055968 357081846 /nfs/dbraw/zinc/08/18/46/357081846.db2.gz OCININYPUPMASA-VHDGCEQUSA-N 2 2 264.369 0.450 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C[C@@H]3CCOC3)C2)CC1 ZINC000365468546 357153312 /nfs/dbraw/zinc/15/33/12/357153312.db2.gz ODHAGPKHEAQZSR-UONOGXRCSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C[C@@H]3CCOC3)C2)CC1 ZINC000365468546 357153318 /nfs/dbraw/zinc/15/33/18/357153318.db2.gz ODHAGPKHEAQZSR-UONOGXRCSA-N 2 2 295.427 0.698 20 0 CCADLP c1nc(N2CC[N@@H+]3CCOC[C@@H]3C2)cc(N2CCCC2)[nH+]1 ZINC000375942596 357418074 /nfs/dbraw/zinc/41/80/74/357418074.db2.gz QHBBNBGEDSDAJO-ZDUSSCGKSA-N 2 2 289.383 0.598 20 0 CCADLP c1nc(N2CC[N@H+]3CCOC[C@@H]3C2)cc(N2CCCC2)[nH+]1 ZINC000375942596 357418077 /nfs/dbraw/zinc/41/80/77/357418077.db2.gz QHBBNBGEDSDAJO-ZDUSSCGKSA-N 2 2 289.383 0.598 20 0 CCADLP CO[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000376097216 357432165 /nfs/dbraw/zinc/43/21/65/357432165.db2.gz PHLIXGRKTFMPTQ-UKRRQHHQSA-N 2 2 295.427 0.696 20 0 CCADLP CO[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000376097216 357432169 /nfs/dbraw/zinc/43/21/69/357432169.db2.gz PHLIXGRKTFMPTQ-UKRRQHHQSA-N 2 2 295.427 0.696 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000377163363 357546758 /nfs/dbraw/zinc/54/67/58/357546758.db2.gz AIYVRHNUMDOQKE-UKRRQHHQSA-N 2 2 278.400 0.987 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000377163363 357546763 /nfs/dbraw/zinc/54/67/63/357546763.db2.gz AIYVRHNUMDOQKE-UKRRQHHQSA-N 2 2 278.400 0.987 20 0 CCADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N(C)C ZINC000655759572 412656891 /nfs/dbraw/zinc/65/68/91/412656891.db2.gz CNALZECRIRUOEJ-WCQYABFASA-N 2 2 269.389 0.306 20 0 CCADLP CCN1CC[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1=O ZINC000655765466 412657030 /nfs/dbraw/zinc/65/70/30/412657030.db2.gz GEQNLFJNYOXDHA-UONOGXRCSA-N 2 2 281.400 0.450 20 0 CCADLP CC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)NC ZINC000655774935 412658642 /nfs/dbraw/zinc/65/86/42/412658642.db2.gz MTWCIGIXMCRGTM-OLZOCXBDSA-N 2 2 269.389 0.354 20 0 CCADLP Cc1ccccc1[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000449119168 236018191 /nfs/dbraw/zinc/01/81/91/236018191.db2.gz WTQMDCILWCTPRD-ZFWWWQNUSA-N 2 2 291.395 0.832 20 0 CCADLP Cc1ccccc1[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000449119168 236018193 /nfs/dbraw/zinc/01/81/93/236018193.db2.gz WTQMDCILWCTPRD-ZFWWWQNUSA-N 2 2 291.395 0.832 20 0 CCADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000449652759 236043550 /nfs/dbraw/zinc/04/35/50/236043550.db2.gz BMPARTJIWMORIZ-NQBHXWOUSA-N 2 2 287.354 0.737 20 0 CCADLP Cc1cc(NC[C@H]2CCC[N@@H+]2CCCO)nc(C)[nH+]1 ZINC000450595652 236098481 /nfs/dbraw/zinc/09/84/81/236098481.db2.gz MGTXKZLMDAPYSN-CYBMUJFWSA-N 2 2 264.373 0.774 20 0 CCADLP Cc1cc(NC[C@H]2CCC[N@H+]2CCCO)nc(C)[nH+]1 ZINC000450595652 236098484 /nfs/dbraw/zinc/09/84/84/236098484.db2.gz MGTXKZLMDAPYSN-CYBMUJFWSA-N 2 2 264.373 0.774 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2nccs2)CC1 ZINC000408015078 357867632 /nfs/dbraw/zinc/86/76/32/357867632.db2.gz SAPIYDYSHLEXQJ-UHFFFAOYSA-N 2 2 254.359 0.007 20 0 CCADLP Cc1cn2cc(NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)ccc2[nH+]1 ZINC000408030839 357875610 /nfs/dbraw/zinc/87/56/10/357875610.db2.gz NZBFSIUNQIVPGO-CQSZACIVSA-N 2 2 299.378 0.971 20 0 CCADLP Cc1cn2cc(NC(=O)[C@H]3C[N@H+]4CCN3CCC4)ccc2[nH+]1 ZINC000408030839 357875611 /nfs/dbraw/zinc/87/56/11/357875611.db2.gz NZBFSIUNQIVPGO-CQSZACIVSA-N 2 2 299.378 0.971 20 0 CCADLP COCC1(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CCC1 ZINC000561198586 291120937 /nfs/dbraw/zinc/12/09/37/291120937.db2.gz XYVVVHLNIMGZLG-LBPRGKRZSA-N 2 2 284.404 0.087 20 0 CCADLP COCC1(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CCC1 ZINC000561198586 291120939 /nfs/dbraw/zinc/12/09/39/291120939.db2.gz XYVVVHLNIMGZLG-LBPRGKRZSA-N 2 2 284.404 0.087 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000455036446 236320836 /nfs/dbraw/zinc/32/08/36/236320836.db2.gz QFVHXMOJVJQJGB-GFCCVEGCSA-N 2 2 278.356 0.342 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000455036446 236320838 /nfs/dbraw/zinc/32/08/38/236320838.db2.gz QFVHXMOJVJQJGB-GFCCVEGCSA-N 2 2 278.356 0.342 20 0 CCADLP Cc1cc(NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)cc[nH+]1 ZINC000455039545 236321187 /nfs/dbraw/zinc/32/11/87/236321187.db2.gz LZAWILDAFHMLRW-AWEZNQCLSA-N 2 2 292.383 0.780 20 0 CCADLP Cc1cc(NC(=O)NC[C@@H]2CCC[N@H+]2CCCO)cc[nH+]1 ZINC000455039545 236321189 /nfs/dbraw/zinc/32/11/89/236321189.db2.gz LZAWILDAFHMLRW-AWEZNQCLSA-N 2 2 292.383 0.780 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000417030667 358129592 /nfs/dbraw/zinc/12/95/92/358129592.db2.gz OXKUTWCVZPVPST-MGPQQGTHSA-N 2 2 298.431 0.476 20 0 CCADLP C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@H](C[NH3+])C1CC1 ZINC000420310812 358179515 /nfs/dbraw/zinc/17/95/15/358179515.db2.gz GWNZVTKZYINIFX-XHSDSOJGSA-N 3 2 277.412 0.586 20 0 CCADLP C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@H](C[NH3+])C1CC1 ZINC000420310812 358179516 /nfs/dbraw/zinc/17/95/16/358179516.db2.gz GWNZVTKZYINIFX-XHSDSOJGSA-N 3 2 277.412 0.586 20 0 CCADLP C[C@H](C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C)CS(C)(=O)=O ZINC000422636904 358191665 /nfs/dbraw/zinc/19/16/65/358191665.db2.gz NUDRZCPTBLDVBC-LPWJVIDDSA-N 2 2 276.446 0.972 20 0 CCADLP C[C@H](C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C)CS(C)(=O)=O ZINC000422636904 358191666 /nfs/dbraw/zinc/19/16/66/358191666.db2.gz NUDRZCPTBLDVBC-LPWJVIDDSA-N 2 2 276.446 0.972 20 0 CCADLP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)CC[NH2+]CC1 ZINC000422905442 358194738 /nfs/dbraw/zinc/19/47/38/358194738.db2.gz SCFWVMNBVFYEAW-KBPBESRZSA-N 3 2 297.443 0.992 20 0 CCADLP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)CC[NH2+]CC1 ZINC000422905442 358194739 /nfs/dbraw/zinc/19/47/39/358194739.db2.gz SCFWVMNBVFYEAW-KBPBESRZSA-N 3 2 297.443 0.992 20 0 CCADLP C[C@](C[NH3+])([NH2+]CC(=O)NC(=O)NC1CCCCC1)C1CC1 ZINC000430587011 358227445 /nfs/dbraw/zinc/22/74/45/358227445.db2.gz ZVFYQJMSJXPUPG-OAHLLOKOSA-N 2 2 296.415 0.862 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCC[NH3+])CC1 ZINC000516297943 358339794 /nfs/dbraw/zinc/33/97/94/358339794.db2.gz UMTOGJSPFYZMIA-GASCZTMLSA-N 3 2 268.449 0.826 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCC[NH3+])CC1 ZINC000516297943 358339795 /nfs/dbraw/zinc/33/97/95/358339795.db2.gz UMTOGJSPFYZMIA-GASCZTMLSA-N 3 2 268.449 0.826 20 0 CCADLP C[N@H+](C[C@H](O)C[NH3+])[C@@H]1CCN(C2CCCCC2)C1=O ZINC000530226667 358382852 /nfs/dbraw/zinc/38/28/52/358382852.db2.gz PPTDCUWXYARSFR-CHWSQXEVSA-N 2 2 269.389 0.171 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH3+])[C@@H]1CCN(C2CCCCC2)C1=O ZINC000530226667 358382855 /nfs/dbraw/zinc/38/28/55/358382855.db2.gz PPTDCUWXYARSFR-CHWSQXEVSA-N 2 2 269.389 0.171 20 0 CCADLP O[C@@H](CNC[C@@H]1CC[N@@H+]1C1CCCC1)C[NH+]1CCOCC1 ZINC000530241948 358385327 /nfs/dbraw/zinc/38/53/27/358385327.db2.gz FJADPHUVTJOQHV-HOTGVXAUSA-N 2 2 297.443 0.286 20 0 CCADLP O[C@@H](CNC[C@@H]1CC[N@H+]1C1CCCC1)C[NH+]1CCOCC1 ZINC000530241948 358385328 /nfs/dbraw/zinc/38/53/28/358385328.db2.gz FJADPHUVTJOQHV-HOTGVXAUSA-N 2 2 297.443 0.286 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](COC(F)F)C1 ZINC000567748579 358580622 /nfs/dbraw/zinc/58/06/22/358580622.db2.gz YTMPUEHFSJSTFO-RYUDHWBXSA-N 2 2 296.358 0.487 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](COC(F)F)C1 ZINC000567748579 358580626 /nfs/dbraw/zinc/58/06/26/358580626.db2.gz YTMPUEHFSJSTFO-RYUDHWBXSA-N 2 2 296.358 0.487 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000567748579 358580629 /nfs/dbraw/zinc/58/06/29/358580629.db2.gz YTMPUEHFSJSTFO-RYUDHWBXSA-N 2 2 296.358 0.487 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](COC(F)F)C1 ZINC000567748579 358580636 /nfs/dbraw/zinc/58/06/36/358580636.db2.gz YTMPUEHFSJSTFO-RYUDHWBXSA-N 2 2 296.358 0.487 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000568181841 358642758 /nfs/dbraw/zinc/64/27/58/358642758.db2.gz AYKOGWHQFKIHEJ-NWDGAFQWSA-N 2 2 267.377 0.215 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000568181841 358642763 /nfs/dbraw/zinc/64/27/63/358642763.db2.gz AYKOGWHQFKIHEJ-NWDGAFQWSA-N 2 2 267.377 0.215 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000568181841 358642766 /nfs/dbraw/zinc/64/27/66/358642766.db2.gz AYKOGWHQFKIHEJ-NWDGAFQWSA-N 2 2 267.377 0.215 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000568181841 358642771 /nfs/dbraw/zinc/64/27/71/358642771.db2.gz AYKOGWHQFKIHEJ-NWDGAFQWSA-N 2 2 267.377 0.215 20 0 CCADLP CC(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000567892582 358607418 /nfs/dbraw/zinc/60/74/18/358607418.db2.gz SCYMPIPWVLWMRI-AGIUHOORSA-N 2 2 269.389 0.149 20 0 CCADLP CC(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000567892582 358607422 /nfs/dbraw/zinc/60/74/22/358607422.db2.gz SCYMPIPWVLWMRI-AGIUHOORSA-N 2 2 269.389 0.149 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCSC[C@H]1C1CC1 ZINC000568181024 358643142 /nfs/dbraw/zinc/64/31/42/358643142.db2.gz IQWJUHVLGUDJRL-KGLIPLIRSA-N 2 2 288.457 0.753 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCSC[C@H]1C1CC1 ZINC000568181024 358643143 /nfs/dbraw/zinc/64/31/43/358643143.db2.gz IQWJUHVLGUDJRL-KGLIPLIRSA-N 2 2 288.457 0.753 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000568181024 358643145 /nfs/dbraw/zinc/64/31/45/358643145.db2.gz IQWJUHVLGUDJRL-KGLIPLIRSA-N 2 2 288.457 0.753 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCSC[C@H]1C1CC1 ZINC000568181024 358643147 /nfs/dbraw/zinc/64/31/47/358643147.db2.gz IQWJUHVLGUDJRL-KGLIPLIRSA-N 2 2 288.457 0.753 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCCC[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000567983199 358621696 /nfs/dbraw/zinc/62/16/96/358621696.db2.gz XXTQYCIFSURUGD-QLFBSQMISA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H](CCCC[NH3+])NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000568087182 358632370 /nfs/dbraw/zinc/63/23/70/358632370.db2.gz UIMDYFPNZQNYID-LLVKDONJSA-N 2 2 288.355 0.910 20 0 CCADLP C[C@@H](CC(=O)N[C@H]1C[NH2+]CCC1(F)F)n1cc[nH+]c1 ZINC000568151589 358636289 /nfs/dbraw/zinc/63/62/89/358636289.db2.gz FVUVQDXJUNKGLL-UWVGGRQHSA-N 2 2 272.299 0.948 20 0 CCADLP CC(C)[NH2+]C1(CO)CCN(CC[NH+]2CCOCC2)CC1 ZINC000568175102 358640503 /nfs/dbraw/zinc/64/05/03/358640503.db2.gz RRWIINAIFDOWQH-UHFFFAOYSA-N 2 2 285.432 0.144 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](CCN2CCOCC2)CC1 ZINC000568175102 358640506 /nfs/dbraw/zinc/64/05/06/358640506.db2.gz RRWIINAIFDOWQH-UHFFFAOYSA-N 2 2 285.432 0.144 20 0 CCADLP C[C@H]1C[N@H+](CCN2CC[C@@]3(C2)CCC[NH2+]C3)CCO1 ZINC000568749238 358701990 /nfs/dbraw/zinc/70/19/90/358701990.db2.gz GXGUTRWJBXTQPB-GJZGRUSLSA-N 2 2 267.417 0.783 20 0 CCADLP C[C@H]1C[N@@H+](CCN2CC[C@@]3(C2)CCC[NH2+]C3)CCO1 ZINC000568749238 358701993 /nfs/dbraw/zinc/70/19/93/358701993.db2.gz GXGUTRWJBXTQPB-GJZGRUSLSA-N 2 2 267.417 0.783 20 0 CCADLP CCOc1ccccc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000568259321 358658748 /nfs/dbraw/zinc/65/87/48/358658748.db2.gz COGIHKPDSOHZJY-ZIAGYGMSSA-N 2 2 289.379 0.829 20 0 CCADLP CCOc1ccccc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000568259321 358658749 /nfs/dbraw/zinc/65/87/49/358658749.db2.gz COGIHKPDSOHZJY-ZIAGYGMSSA-N 2 2 289.379 0.829 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC000568501670 358679211 /nfs/dbraw/zinc/67/92/11/358679211.db2.gz WMVCDZZPNJJPFX-ARFHVFGLSA-N 3 2 298.475 0.057 20 0 CCADLP CCOCC[C@@H](O)C[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000569228405 358745069 /nfs/dbraw/zinc/74/50/69/358745069.db2.gz DMNGKYCXONLQGY-CHWSQXEVSA-N 2 2 276.446 0.801 20 0 CCADLP COCC1(CNC(=O)N(C)Cc2c[nH+]c[nH]2)CC[NH2+]CC1 ZINC000568882958 358715458 /nfs/dbraw/zinc/71/54/58/358715458.db2.gz BDQBGVNXNWHNME-UHFFFAOYSA-N 2 2 295.387 0.567 20 0 CCADLP COCC1(CNC(=O)N(C)Cc2c[nH]c[nH+]2)CC[NH2+]CC1 ZINC000568882958 358715462 /nfs/dbraw/zinc/71/54/62/358715462.db2.gz BDQBGVNXNWHNME-UHFFFAOYSA-N 2 2 295.387 0.567 20 0 CCADLP CCc1nc(NCC[N@@H+]2CCO[C@@H](C)C2)cc(C)[nH+]1 ZINC000568979033 358720829 /nfs/dbraw/zinc/72/08/29/358720829.db2.gz GFHGDZBHYWHKNJ-LBPRGKRZSA-N 2 2 264.373 0.902 20 0 CCADLP CCc1nc(NCC[N@H+]2CCO[C@@H](C)C2)cc(C)[nH+]1 ZINC000568979033 358720835 /nfs/dbraw/zinc/72/08/35/358720835.db2.gz GFHGDZBHYWHKNJ-LBPRGKRZSA-N 2 2 264.373 0.902 20 0 CCADLP C[NH2+][C@@H](C)C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000569020174 358727281 /nfs/dbraw/zinc/72/72/81/358727281.db2.gz VTPFANPPVZPWJU-LBPRGKRZSA-N 2 2 277.368 0.644 20 0 CCADLP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000570081862 358819903 /nfs/dbraw/zinc/81/99/03/358819903.db2.gz KEQMTBAJMLMYGK-NFAWXSAZSA-N 3 2 296.415 0.251 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)C[NH+]2CC(C)(C)C2)CCO1 ZINC000569589249 358776303 /nfs/dbraw/zinc/77/63/03/358776303.db2.gz GLXCMCQRCGIJGP-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)C[NH+]2CC(C)(C)C2)CCO1 ZINC000569589249 358776307 /nfs/dbraw/zinc/77/63/07/358776307.db2.gz GLXCMCQRCGIJGP-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H]1CN(CCCc2c[nH+]cn2C)[C@@H](C)C[N@@H+]1CCO ZINC000569618521 358780805 /nfs/dbraw/zinc/78/08/05/358780805.db2.gz IJHDYKWKZHZKFU-UONOGXRCSA-N 2 2 280.416 0.740 20 0 CCADLP C[C@@H]1CN(CCCc2c[nH+]cn2C)[C@@H](C)C[N@H+]1CCO ZINC000569618521 358780808 /nfs/dbraw/zinc/78/08/08/358780808.db2.gz IJHDYKWKZHZKFU-UONOGXRCSA-N 2 2 280.416 0.740 20 0 CCADLP C[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)[C@@H](C)CN1CCO ZINC000569618521 358780812 /nfs/dbraw/zinc/78/08/12/358780812.db2.gz IJHDYKWKZHZKFU-UONOGXRCSA-N 2 2 280.416 0.740 20 0 CCADLP C[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)[C@@H](C)CN1CCO ZINC000569618521 358780817 /nfs/dbraw/zinc/78/08/17/358780817.db2.gz IJHDYKWKZHZKFU-UONOGXRCSA-N 2 2 280.416 0.740 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000569676678 358783776 /nfs/dbraw/zinc/78/37/76/358783776.db2.gz QAFDOZWYYSNEEX-CHWSQXEVSA-N 2 2 284.404 0.006 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000569676678 358783778 /nfs/dbraw/zinc/78/37/78/358783778.db2.gz QAFDOZWYYSNEEX-CHWSQXEVSA-N 2 2 284.404 0.006 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000570108284 358824681 /nfs/dbraw/zinc/82/46/81/358824681.db2.gz YFYGTVPPOZCQEI-TZMCWYRMSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000570108284 358824684 /nfs/dbraw/zinc/82/46/84/358824684.db2.gz YFYGTVPPOZCQEI-TZMCWYRMSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000570108284 358824689 /nfs/dbraw/zinc/82/46/89/358824689.db2.gz YFYGTVPPOZCQEI-TZMCWYRMSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000570108284 358824694 /nfs/dbraw/zinc/82/46/94/358824694.db2.gz YFYGTVPPOZCQEI-TZMCWYRMSA-N 2 2 294.399 0.551 20 0 CCADLP CCn1cc([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)CC)cn1 ZINC000569707153 358786556 /nfs/dbraw/zinc/78/65/56/358786556.db2.gz YUMPBQXUJWMHSV-YPMHNXCESA-N 2 2 254.378 0.866 20 0 CCADLP CCn1cc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)CC)cn1 ZINC000569707153 358786558 /nfs/dbraw/zinc/78/65/58/358786558.db2.gz YUMPBQXUJWMHSV-YPMHNXCESA-N 2 2 254.378 0.866 20 0 CCADLP CCn1cc([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)CC)cn1 ZINC000569707150 358786690 /nfs/dbraw/zinc/78/66/90/358786690.db2.gz YUMPBQXUJWMHSV-AAEUAGOBSA-N 2 2 254.378 0.866 20 0 CCADLP CCn1cc([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)CC)cn1 ZINC000569707150 358786693 /nfs/dbraw/zinc/78/66/93/358786693.db2.gz YUMPBQXUJWMHSV-AAEUAGOBSA-N 2 2 254.378 0.866 20 0 CCADLP C[NH2+]C[C@](C)(O)CN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000569817269 358796459 /nfs/dbraw/zinc/79/64/59/358796459.db2.gz IAPBSAKSCZWDGN-INIZCTEOSA-N 2 2 293.411 0.480 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NCC[NH+]1CCOCC1 ZINC000620411806 366494034 /nfs/dbraw/zinc/49/40/34/366494034.db2.gz LONAVRAYEWERRL-UHFFFAOYSA-N 2 2 266.345 0.112 20 0 CCADLP C[C@H](CNC(=O)[C@@H]([NH3+])C1CCC1)Cn1cc[nH+]c1 ZINC000570164735 358829995 /nfs/dbraw/zinc/82/99/95/358829995.db2.gz ILMJPVOIKPPFHQ-PWSUYJOCSA-N 2 2 250.346 0.763 20 0 CCADLP COc1ccccc1[C@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000570320502 358845473 /nfs/dbraw/zinc/84/54/73/358845473.db2.gz OARFUIFIQCEVPP-HIFRSBDPSA-N 2 2 294.395 0.773 20 0 CCADLP COc1ccccc1[C@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000570320502 358845475 /nfs/dbraw/zinc/84/54/75/358845475.db2.gz OARFUIFIQCEVPP-HIFRSBDPSA-N 2 2 294.395 0.773 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000570694996 358886398 /nfs/dbraw/zinc/88/63/98/358886398.db2.gz VMFBJBLNJDZRJL-HUUCEWRRSA-N 2 2 295.427 0.651 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000570694996 358886400 /nfs/dbraw/zinc/88/64/00/358886400.db2.gz VMFBJBLNJDZRJL-HUUCEWRRSA-N 2 2 295.427 0.651 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])c2cscn2)C[N@@H+]1C1CC1 ZINC000570716876 358888219 /nfs/dbraw/zinc/88/82/19/358888219.db2.gz XHZGSPCLXRARFZ-LNLATYFQSA-N 2 2 280.397 0.884 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000570981193 358900181 /nfs/dbraw/zinc/90/01/81/358900181.db2.gz HNUARDFWIXPINV-CHWSQXEVSA-N 2 2 286.416 0.963 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000570981193 358900186 /nfs/dbraw/zinc/90/01/86/358900186.db2.gz HNUARDFWIXPINV-CHWSQXEVSA-N 2 2 286.416 0.963 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000570981193 358900190 /nfs/dbraw/zinc/90/01/90/358900190.db2.gz HNUARDFWIXPINV-CHWSQXEVSA-N 2 2 286.416 0.963 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000570981193 358900196 /nfs/dbraw/zinc/90/01/96/358900196.db2.gz HNUARDFWIXPINV-CHWSQXEVSA-N 2 2 286.416 0.963 20 0 CCADLP CC[C@H]1C[N@H+](CCNc2cc[nH+]cc2C(N)=O)CCO1 ZINC000573388959 358962816 /nfs/dbraw/zinc/96/28/16/358962816.db2.gz IOWAEDCVFPSPNL-NSHDSACASA-N 2 2 278.356 0.125 20 0 CCADLP CC[C@H]1C[N@@H+](CCNc2cc[nH+]cc2C(N)=O)CCO1 ZINC000573388959 358962822 /nfs/dbraw/zinc/96/28/22/358962822.db2.gz IOWAEDCVFPSPNL-NSHDSACASA-N 2 2 278.356 0.125 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@H]2CCCNC2=O)C1 ZINC000573503066 358973492 /nfs/dbraw/zinc/97/34/92/358973492.db2.gz MNDIWWFNKPPQAO-NWDGAFQWSA-N 2 2 262.357 0.736 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@H]2CCCNC2=O)C1 ZINC000573503066 358973498 /nfs/dbraw/zinc/97/34/98/358973498.db2.gz MNDIWWFNKPPQAO-NWDGAFQWSA-N 2 2 262.357 0.736 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCc2ccc(F)cc2F)[C@@H](C[NH3+])C1 ZINC000573189556 358945247 /nfs/dbraw/zinc/94/52/47/358945247.db2.gz BDUNMVGRRJQNHI-LBPRGKRZSA-N 2 2 298.337 0.749 20 0 CCADLP C[N@H+]1CCN(C(=O)NCc2ccc(F)cc2F)[C@@H](C[NH3+])C1 ZINC000573189556 358945249 /nfs/dbraw/zinc/94/52/49/358945249.db2.gz BDUNMVGRRJQNHI-LBPRGKRZSA-N 2 2 298.337 0.749 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC(C)(C)c1[nH]cc[nH+]1 ZINC000573259461 358952687 /nfs/dbraw/zinc/95/26/87/358952687.db2.gz XUWYXUJZYSZGKW-NSHDSACASA-N 2 2 280.372 0.729 20 0 CCADLP CN(C)c1noc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)n1 ZINC000573740983 358995633 /nfs/dbraw/zinc/99/56/33/358995633.db2.gz KXVVGYHDCOOSII-JTQLQIEISA-N 2 2 276.344 0.859 20 0 CCADLP CN(C)c1noc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)n1 ZINC000573740983 358995638 /nfs/dbraw/zinc/99/56/38/358995638.db2.gz KXVVGYHDCOOSII-JTQLQIEISA-N 2 2 276.344 0.859 20 0 CCADLP Cc1ccoc1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000581001367 359118580 /nfs/dbraw/zinc/11/85/80/359118580.db2.gz BBEDWSGZYRDFEN-NSHDSACASA-N 2 2 266.345 0.372 20 0 CCADLP Cc1ccoc1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000581001367 359118584 /nfs/dbraw/zinc/11/85/84/359118584.db2.gz BBEDWSGZYRDFEN-NSHDSACASA-N 2 2 266.345 0.372 20 0 CCADLP [NH3+]C1(C(=O)NCc2[nH+]ccn2CC(F)(F)F)CCC1 ZINC000584718405 359193984 /nfs/dbraw/zinc/19/39/84/359193984.db2.gz UEHSWKDBZDBWCD-UHFFFAOYSA-N 2 2 276.262 0.943 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000584728270 359197320 /nfs/dbraw/zinc/19/73/20/359197320.db2.gz HBZZGGPSQZWOGX-CHWSQXEVSA-N 2 2 293.415 0.381 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000584728270 359197324 /nfs/dbraw/zinc/19/73/24/359197324.db2.gz HBZZGGPSQZWOGX-CHWSQXEVSA-N 2 2 293.415 0.381 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000584728270 359197329 /nfs/dbraw/zinc/19/73/29/359197329.db2.gz HBZZGGPSQZWOGX-CHWSQXEVSA-N 2 2 293.415 0.381 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000584728270 359197332 /nfs/dbraw/zinc/19/73/32/359197332.db2.gz HBZZGGPSQZWOGX-CHWSQXEVSA-N 2 2 293.415 0.381 20 0 CCADLP C[NH+](C)CCn1cc(NC(=O)CCn2cc[nH+]c2)cn1 ZINC000586756863 359284394 /nfs/dbraw/zinc/28/43/94/359284394.db2.gz OJFJDTYOGZYCRX-UHFFFAOYSA-N 2 2 276.344 0.670 20 0 CCADLP C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000586755589 359283642 /nfs/dbraw/zinc/28/36/42/359283642.db2.gz AECUTUCAVNGDEN-NSHDSACASA-N 2 2 286.339 0.486 20 0 CCADLP C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000586755589 359283646 /nfs/dbraw/zinc/28/36/46/359283646.db2.gz AECUTUCAVNGDEN-NSHDSACASA-N 2 2 286.339 0.486 20 0 CCADLP C[C@H](COCC(F)(F)F)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000562986713 291178218 /nfs/dbraw/zinc/17/82/18/291178218.db2.gz NYABQJDDJUINJS-KOLCDFICSA-N 2 2 284.322 0.999 20 0 CCADLP C[C@H](COCC(F)(F)F)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000562986713 291178221 /nfs/dbraw/zinc/17/82/21/291178221.db2.gz NYABQJDDJUINJS-KOLCDFICSA-N 2 2 284.322 0.999 20 0 CCADLP COC[C@@H](O)C[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000562997844 291180179 /nfs/dbraw/zinc/18/01/79/291180179.db2.gz XTGYPLACWDSYMG-RYUDHWBXSA-N 2 2 253.346 0.666 20 0 CCADLP CCOC(=O)CC[C@H](O)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000563014072 291181358 /nfs/dbraw/zinc/18/13/58/291181358.db2.gz UVXOBAHTZXRVGR-RYUDHWBXSA-N 2 2 281.356 0.492 20 0 CCADLP CSCCC[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000562995744 291179799 /nfs/dbraw/zinc/17/97/99/291179799.db2.gz MHWXNKBVHZJFCI-XQQFMLRXSA-N 2 2 276.446 0.799 20 0 CCADLP CSCCC[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000562995744 291179801 /nfs/dbraw/zinc/17/98/01/291179801.db2.gz MHWXNKBVHZJFCI-XQQFMLRXSA-N 2 2 276.446 0.799 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000591563314 359599737 /nfs/dbraw/zinc/59/97/37/359599737.db2.gz QNMRYZJNXAIWGJ-NSHDSACASA-N 2 2 282.388 0.437 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000591571623 359600849 /nfs/dbraw/zinc/60/08/49/359600849.db2.gz RYDZFZCCERTHHS-ZDUSSCGKSA-N 2 2 284.404 0.054 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000591571623 359600851 /nfs/dbraw/zinc/60/08/51/359600851.db2.gz RYDZFZCCERTHHS-ZDUSSCGKSA-N 2 2 284.404 0.054 20 0 CCADLP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000563048139 291184798 /nfs/dbraw/zinc/18/47/98/291184798.db2.gz RUDYURTWLXMULS-ONGXEEELSA-N 2 2 270.402 0.989 20 0 CCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000563048139 291184800 /nfs/dbraw/zinc/18/48/00/291184800.db2.gz RUDYURTWLXMULS-ONGXEEELSA-N 2 2 270.402 0.989 20 0 CCADLP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]([NH3+])c1cscn1 ZINC000563048136 291184963 /nfs/dbraw/zinc/18/49/63/291184963.db2.gz RUDYURTWLXMULS-GXSJLCMTSA-N 2 2 270.402 0.989 20 0 CCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]([NH3+])c1cscn1 ZINC000563048136 291184964 /nfs/dbraw/zinc/18/49/64/291184964.db2.gz RUDYURTWLXMULS-GXSJLCMTSA-N 2 2 270.402 0.989 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc([S@@](C)=O)cc1)C1CC1 ZINC000591750168 359652862 /nfs/dbraw/zinc/65/28/62/359652862.db2.gz WJVFGKWYNUJPMU-VBKZILBWSA-N 2 2 296.436 0.969 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc([S@@](C)=O)cc1)C1CC1 ZINC000591750168 359652865 /nfs/dbraw/zinc/65/28/65/359652865.db2.gz WJVFGKWYNUJPMU-VBKZILBWSA-N 2 2 296.436 0.969 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000297456066 200196321 /nfs/dbraw/zinc/19/63/21/200196321.db2.gz WUTUBSCDJIGYOG-CQSZACIVSA-N 2 2 294.399 0.665 20 0 CCADLP C[C@H]1C[N@H+](CCN2CC[NH2+]C[C@@H]2C(F)F)CCO1 ZINC000563149467 291199253 /nfs/dbraw/zinc/19/92/53/291199253.db2.gz BKMAPQWSHLIUAD-WDEREUQCSA-N 2 2 263.332 0.246 20 0 CCADLP C[C@H]1C[N@@H+](CCN2CC[NH2+]C[C@@H]2C(F)F)CCO1 ZINC000563149467 291199254 /nfs/dbraw/zinc/19/92/54/291199254.db2.gz BKMAPQWSHLIUAD-WDEREUQCSA-N 2 2 263.332 0.246 20 0 CCADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)CC[C@H]1[NH3+] ZINC000592487885 359854444 /nfs/dbraw/zinc/85/44/44/359854444.db2.gz AMLKJDHOLJMGIX-HOSYDEDBSA-N 2 2 282.388 0.422 20 0 CCADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)CC[C@H]1[NH3+] ZINC000592487885 359854446 /nfs/dbraw/zinc/85/44/46/359854446.db2.gz AMLKJDHOLJMGIX-HOSYDEDBSA-N 2 2 282.388 0.422 20 0 CCADLP CCOC[C@H](C(=O)OC)[N@H+](C)CCn1cc[nH+]c1C ZINC000611225188 363687611 /nfs/dbraw/zinc/68/76/11/363687611.db2.gz UEPJNZAGOQJNER-GFCCVEGCSA-N 2 2 269.345 0.701 20 0 CCADLP CCOC[C@H](C(=O)OC)[N@@H+](C)CCn1cc[nH+]c1C ZINC000611225188 363687619 /nfs/dbraw/zinc/68/76/19/363687619.db2.gz UEPJNZAGOQJNER-GFCCVEGCSA-N 2 2 269.345 0.701 20 0 CCADLP C[C@H](CC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C)n1cc[nH+]c1 ZINC000563254225 291209813 /nfs/dbraw/zinc/20/98/13/291209813.db2.gz LHWOQLSQSUWSMU-MCIONIFRSA-N 2 2 294.399 0.748 20 0 CCADLP C[C@H](CC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C)n1cc[nH+]c1 ZINC000563254225 291209816 /nfs/dbraw/zinc/20/98/16/291209816.db2.gz LHWOQLSQSUWSMU-MCIONIFRSA-N 2 2 294.399 0.748 20 0 CCADLP COc1ccc[nH+]c1N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000592883434 359969074 /nfs/dbraw/zinc/96/90/74/359969074.db2.gz LPJHKQDCZUIKDP-UHFFFAOYSA-N 2 2 278.356 0.300 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC[NH2+]1 ZINC000621159147 366661538 /nfs/dbraw/zinc/66/15/38/366661538.db2.gz DIMZANWDTWQPNW-GXTWGEPZSA-N 2 2 276.384 0.902 20 0 CCADLP COC(=O)C1(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)CCCCCC1 ZINC000593902993 360200954 /nfs/dbraw/zinc/20/09/54/360200954.db2.gz ZRJGROWXWDRRCW-LBPRGKRZSA-N 2 2 299.415 0.648 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC000593905700 360203354 /nfs/dbraw/zinc/20/33/54/360203354.db2.gz BNJHBRONYUMBRK-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC000593905700 360203364 /nfs/dbraw/zinc/20/33/64/360203364.db2.gz BNJHBRONYUMBRK-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP CSCC[C@H](C)N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593908791 360205651 /nfs/dbraw/zinc/20/56/51/360205651.db2.gz DOGLVEGDCSEKHG-WDEREUQCSA-N 2 2 261.435 0.865 20 0 CCADLP CCOC(=O)CC[N@H+](CC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000594049728 360242050 /nfs/dbraw/zinc/24/20/50/360242050.db2.gz DBVDACWUEWUPJL-UHFFFAOYSA-N 2 2 299.415 0.424 20 0 CCADLP CCOC(=O)CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000594049728 360242054 /nfs/dbraw/zinc/24/20/54/360242054.db2.gz DBVDACWUEWUPJL-UHFFFAOYSA-N 2 2 299.415 0.424 20 0 CCADLP CCOC(=O)CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C(C)C ZINC000594456675 360318329 /nfs/dbraw/zinc/31/83/29/360318329.db2.gz NNHUAKDQPOCHIW-GFCCVEGCSA-N 2 2 287.404 0.456 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC2 ZINC000655924920 412699642 /nfs/dbraw/zinc/69/96/42/412699642.db2.gz STWAPNCALSYXCX-MRVPVSSYSA-N 2 2 291.277 0.606 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3cccc(O)c3)CCN2C1=O ZINC000594737003 360371081 /nfs/dbraw/zinc/37/10/81/360371081.db2.gz VMXCICGCJMDTPT-WCQYABFASA-N 2 2 261.325 0.136 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3cccc(O)c3)CCN2C1=O ZINC000594737003 360371088 /nfs/dbraw/zinc/37/10/88/360371088.db2.gz VMXCICGCJMDTPT-WCQYABFASA-N 2 2 261.325 0.136 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3cc(C4CC4)no3)CCN2C1=O ZINC000594876392 360407017 /nfs/dbraw/zinc/40/70/17/360407017.db2.gz XCXWMXUSGAYNQA-ZYHUDNBSSA-N 2 2 276.340 0.296 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3cc(C4CC4)no3)CCN2C1=O ZINC000594876392 360407019 /nfs/dbraw/zinc/40/70/19/360407019.db2.gz XCXWMXUSGAYNQA-ZYHUDNBSSA-N 2 2 276.340 0.296 20 0 CCADLP [NH3+]C[C@@H](NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C(F)(F)F ZINC000655925464 412700323 /nfs/dbraw/zinc/70/03/23/412700323.db2.gz BMNXDVYBENTNKC-HZGVNTEJSA-N 2 2 291.277 0.456 20 0 CCADLP [NH3+]C[C@@H](NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C(F)(F)F ZINC000655925464 412700324 /nfs/dbraw/zinc/70/03/24/412700324.db2.gz BMNXDVYBENTNKC-HZGVNTEJSA-N 2 2 291.277 0.456 20 0 CCADLP [NH3+]C[C@@H](NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)C(F)(F)F ZINC000655925465 412700389 /nfs/dbraw/zinc/70/03/89/412700389.db2.gz BMNXDVYBENTNKC-IMTBSYHQSA-N 2 2 291.277 0.456 20 0 CCADLP [NH3+]C[C@@H](NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)C(F)(F)F ZINC000655925465 412700391 /nfs/dbraw/zinc/70/03/91/412700391.db2.gz BMNXDVYBENTNKC-IMTBSYHQSA-N 2 2 291.277 0.456 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C2(CO)CC[NH2+]CC2)cc1 ZINC000595896241 360695234 /nfs/dbraw/zinc/69/52/34/360695234.db2.gz AUVOKUAPJUWHLW-UHFFFAOYSA-N 2 2 278.352 0.677 20 0 CCADLP CCOC(=O)CC1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000595893108 360693755 /nfs/dbraw/zinc/69/37/55/360693755.db2.gz PITUXODCYZWJHF-CYBMUJFWSA-N 2 2 270.373 0.640 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N1CC[N@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000595955757 360732474 /nfs/dbraw/zinc/73/24/74/360732474.db2.gz HVMYENCGYJETGW-RYUDHWBXSA-N 2 2 285.388 0.080 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N1CC[N@@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000595955757 360732477 /nfs/dbraw/zinc/73/24/77/360732477.db2.gz HVMYENCGYJETGW-RYUDHWBXSA-N 2 2 285.388 0.080 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)c2csc(C[NH3+])n2)CC1 ZINC000178685451 189137265 /nfs/dbraw/zinc/13/72/65/189137265.db2.gz TVWFWVIXFDJKLJ-UHFFFAOYSA-N 2 2 298.412 0.396 20 0 CCADLP C[C@@H]1CCC[C@@H]1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000563591297 291239461 /nfs/dbraw/zinc/23/94/61/291239461.db2.gz PLJICMWGMSJIDC-JHJVBQTASA-N 2 2 268.405 0.707 20 0 CCADLP C[C@@H]1CCC[C@@H]1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000563591297 291239462 /nfs/dbraw/zinc/23/94/62/291239462.db2.gz PLJICMWGMSJIDC-JHJVBQTASA-N 2 2 268.405 0.707 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@H](C)[NH+](C)C ZINC000299548187 200772665 /nfs/dbraw/zinc/77/26/65/200772665.db2.gz WYPOYNIIYXTKEB-VIFPVBQESA-N 2 2 280.328 0.095 20 0 CCADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCn2cncn2)CC1 ZINC000563674019 291246249 /nfs/dbraw/zinc/24/62/49/291246249.db2.gz YAIWAFJHDSMAIC-CYBMUJFWSA-N 2 2 279.388 0.463 20 0 CCADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCn2cncn2)CC1 ZINC000563674019 291246252 /nfs/dbraw/zinc/24/62/52/291246252.db2.gz YAIWAFJHDSMAIC-CYBMUJFWSA-N 2 2 279.388 0.463 20 0 CCADLP COCC(C)(C)[NH+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493710490 238321042 /nfs/dbraw/zinc/32/10/42/238321042.db2.gz TUHYAGYDGZDVAT-SNAWJCMRSA-N 2 2 292.383 0.992 20 0 CCADLP COC(=O)[C@@H]1OCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000597186509 361026926 /nfs/dbraw/zinc/02/69/26/361026926.db2.gz HEHULZYLOUMKBE-MELADBBJSA-N 2 2 298.383 0.160 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000563810642 291252068 /nfs/dbraw/zinc/25/20/68/291252068.db2.gz RNYRTPRDDUVDAN-RKDXNWHRSA-N 2 2 260.301 0.128 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CCS(=O)(=O)NC)C[C@@H]1C ZINC000621261342 366686932 /nfs/dbraw/zinc/68/69/32/366686932.db2.gz MVDBSLCHRKYNPV-RYUDHWBXSA-N 2 2 277.434 0.340 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CCS(=O)(=O)NC)C[C@@H]1C ZINC000621261342 366686937 /nfs/dbraw/zinc/68/69/37/366686937.db2.gz MVDBSLCHRKYNPV-RYUDHWBXSA-N 2 2 277.434 0.340 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CCS(=O)(=O)NC)C[C@@H]1C ZINC000621261342 366686942 /nfs/dbraw/zinc/68/69/42/366686942.db2.gz MVDBSLCHRKYNPV-RYUDHWBXSA-N 2 2 277.434 0.340 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CCS(=O)(=O)NC)C[C@@H]1C ZINC000621261342 366686948 /nfs/dbraw/zinc/68/69/48/366686948.db2.gz MVDBSLCHRKYNPV-RYUDHWBXSA-N 2 2 277.434 0.340 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CCS(=O)(=O)NC)[C@H](C)C1 ZINC000621267236 366692284 /nfs/dbraw/zinc/69/22/84/366692284.db2.gz SOMIQGSLYBMZID-NEPJUHHUSA-N 2 2 277.434 0.198 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CCS(=O)(=O)NC)[C@H](C)C1 ZINC000621267236 366692287 /nfs/dbraw/zinc/69/22/87/366692287.db2.gz SOMIQGSLYBMZID-NEPJUHHUSA-N 2 2 277.434 0.198 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CCS(=O)(=O)NC)[C@H](C)C1 ZINC000621267236 366692292 /nfs/dbraw/zinc/69/22/92/366692292.db2.gz SOMIQGSLYBMZID-NEPJUHHUSA-N 2 2 277.434 0.198 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CCS(=O)(=O)NC)[C@H](C)C1 ZINC000621267236 366692296 /nfs/dbraw/zinc/69/22/96/366692296.db2.gz SOMIQGSLYBMZID-NEPJUHHUSA-N 2 2 277.434 0.198 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000621346384 366741624 /nfs/dbraw/zinc/74/16/24/366741624.db2.gz MKWZAOIRFYCBOU-LBPRGKRZSA-N 2 2 262.357 0.728 20 0 CCADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)Nc1ccccn1 ZINC000631827129 370693141 /nfs/dbraw/zinc/69/31/41/370693141.db2.gz GBHPFQRRJGTHBW-SNVBAGLBSA-N 2 2 250.346 0.983 20 0 CCADLP C[NH2+]C1CC[NH+]([C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000631821520 370687356 /nfs/dbraw/zinc/68/73/56/370687356.db2.gz AHQWNZAHARXMDS-ZDUSSCGKSA-N 2 2 251.374 0.824 20 0 CCADLP CCCn1nccc1NC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000631823158 370688147 /nfs/dbraw/zinc/68/81/47/370688147.db2.gz XNGPHNXUICPTMA-RYUDHWBXSA-N 2 2 279.388 0.901 20 0 CCADLP CCCn1nccc1NC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000631823158 370688155 /nfs/dbraw/zinc/68/81/55/370688155.db2.gz XNGPHNXUICPTMA-RYUDHWBXSA-N 2 2 279.388 0.901 20 0 CCADLP CN(C)S(=O)(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000564129685 291267617 /nfs/dbraw/zinc/26/76/17/291267617.db2.gz QQYHYZPITUHQJN-UHFFFAOYSA-N 2 2 299.400 0.052 20 0 CCADLP CCC[NH2+]CCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000564099961 291266658 /nfs/dbraw/zinc/26/66/58/291266658.db2.gz HELRFWKNEBPVJF-UHFFFAOYSA-N 2 2 289.339 0.389 20 0 CCADLP C[N@H+]1CCN(C(=O)NC2Cc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000564186762 291268563 /nfs/dbraw/zinc/26/85/63/291268563.db2.gz BCJOWSXEFKXLBL-OAHLLOKOSA-N 2 2 288.395 0.438 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621646599 366815510 /nfs/dbraw/zinc/81/55/10/366815510.db2.gz YRORQJJOWSFRMN-AWEZNQCLSA-N 2 2 297.443 0.993 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621646599 366815516 /nfs/dbraw/zinc/81/55/16/366815516.db2.gz YRORQJJOWSFRMN-AWEZNQCLSA-N 2 2 297.443 0.993 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621667559 366825396 /nfs/dbraw/zinc/82/53/96/366825396.db2.gz GJIWBFTVBRLVOG-HNNXBMFYSA-N 3 2 298.475 0.766 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621667559 366825406 /nfs/dbraw/zinc/82/54/06/366825406.db2.gz GJIWBFTVBRLVOG-HNNXBMFYSA-N 3 2 298.475 0.766 20 0 CCADLP C[C@@H](CNc1nc(N(C)C)cc[nH+]1)N1CC[NH+](C)CC1 ZINC000301707168 201151083 /nfs/dbraw/zinc/15/10/83/201151083.db2.gz BYAMYPBORPRFQE-LBPRGKRZSA-N 2 2 278.404 0.590 20 0 CCADLP C[C@@](O)(CNc1cccc[nH+]1)C[NH+]1CCOCC1 ZINC000301748743 201174577 /nfs/dbraw/zinc/17/45/77/201174577.db2.gz HNBSXCZLIFKYLT-CYBMUJFWSA-N 2 2 251.330 0.577 20 0 CCADLP COC(=O)CCNC(=O)CC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000599087748 361569941 /nfs/dbraw/zinc/56/99/41/361569941.db2.gz GGTQXUHTVHCXQZ-DGCLKSJQSA-N 2 2 297.399 0.128 20 0 CCADLP COC(=O)CCNC(=O)CC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000599087748 361569946 /nfs/dbraw/zinc/56/99/46/361569946.db2.gz GGTQXUHTVHCXQZ-DGCLKSJQSA-N 2 2 297.399 0.128 20 0 CCADLP CN(CC1([NH+](C)C)CCC1)C(=O)Cn1cc[nH+]c1 ZINC000564647388 291290170 /nfs/dbraw/zinc/29/01/70/291290170.db2.gz ADSCJVGEMGLOEP-UHFFFAOYSA-N 2 2 250.346 0.826 20 0 CCADLP CC(C)(O)C[NH+]1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000302204457 201394149 /nfs/dbraw/zinc/39/41/49/201394149.db2.gz CPDRJFYWSNBLKD-UHFFFAOYSA-N 2 2 278.356 0.073 20 0 CCADLP CN(C)c1ccc(CNC(=O)N[C@]2(C)CC[NH2+]C2)c[nH+]1 ZINC000612868077 364026523 /nfs/dbraw/zinc/02/65/23/364026523.db2.gz MDAQRCYSOYINNH-CQSZACIVSA-N 2 2 277.372 0.699 20 0 CCADLP C[C@@]1(NC(=O)NCC[N@@H+]2CCOCC2(C)C)CC[NH2+]C1 ZINC000612874178 364029662 /nfs/dbraw/zinc/02/96/62/364029662.db2.gz BTIGUFIQEKMLGW-CQSZACIVSA-N 2 2 284.404 0.148 20 0 CCADLP C[C@@]1(NC(=O)NCC[N@H+]2CCOCC2(C)C)CC[NH2+]C1 ZINC000612874178 364029664 /nfs/dbraw/zinc/02/96/64/364029664.db2.gz BTIGUFIQEKMLGW-CQSZACIVSA-N 2 2 284.404 0.148 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)n(C)n1 ZINC000631839536 370706089 /nfs/dbraw/zinc/70/60/89/370706089.db2.gz HMQOZVOITVRUSM-MWLCHTKSSA-N 2 2 265.361 0.194 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)n(C)n1 ZINC000631839536 370706094 /nfs/dbraw/zinc/70/60/94/370706094.db2.gz HMQOZVOITVRUSM-MWLCHTKSSA-N 2 2 265.361 0.194 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N1CCCCC[C@@H]([NH3+])C1 ZINC000631834645 370700580 /nfs/dbraw/zinc/70/05/80/370700580.db2.gz CGRSYROIEWDAHM-UONOGXRCSA-N 2 2 255.406 0.910 20 0 CCADLP O=C1C[N@H+](CCN2CC[NH2+]CC2)CCN1c1ccccc1 ZINC000631879998 370733815 /nfs/dbraw/zinc/73/38/15/370733815.db2.gz KSGWKIXDBJDDCX-UHFFFAOYSA-N 2 2 288.395 0.240 20 0 CCADLP O=C1C[N@@H+](CCN2CC[NH2+]CC2)CCN1c1ccccc1 ZINC000631879998 370733819 /nfs/dbraw/zinc/73/38/19/370733819.db2.gz KSGWKIXDBJDDCX-UHFFFAOYSA-N 2 2 288.395 0.240 20 0 CCADLP CCCCNC(=O)[C@H](C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631863718 370724051 /nfs/dbraw/zinc/72/40/51/370724051.db2.gz DHJFORWZINZLIO-LBPRGKRZSA-N 2 2 271.405 0.338 20 0 CCADLP CCN(CC)C(=O)[C@H](C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631865110 370724604 /nfs/dbraw/zinc/72/46/04/370724604.db2.gz ZJRPJPSUXLSWGH-LBPRGKRZSA-N 2 2 271.405 0.290 20 0 CCADLP CC(C)CCNC(=O)[C@@H](C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631864283 370724829 /nfs/dbraw/zinc/72/48/29/370724829.db2.gz MNCVBYYHDWPCPB-CYBMUJFWSA-N 2 2 285.432 0.584 20 0 CCADLP CNC(=O)c1ccc(C[NH+]2CCC([NH2+]CCO)CC2)cc1 ZINC000631864411 370725024 /nfs/dbraw/zinc/72/50/24/370725024.db2.gz OCAIXPCVKUYBHW-UHFFFAOYSA-N 2 2 291.395 0.593 20 0 CCADLP C(COC[C@H]1CCCO1)[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631868023 370727137 /nfs/dbraw/zinc/72/71/37/370727137.db2.gz TVUAZTABYJZTOV-MCIONIFRSA-N 2 2 254.374 0.914 20 0 CCADLP O=S1(=O)CCC[C@H](C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)C1 ZINC000631889214 370738681 /nfs/dbraw/zinc/73/86/81/370738681.db2.gz DJTMHAIIVQLOGV-MCIONIFRSA-N 2 2 286.441 0.885 20 0 CCADLP O=S1(=O)CCC[C@H](C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)C1 ZINC000631889214 370738683 /nfs/dbraw/zinc/73/86/83/370738683.db2.gz DJTMHAIIVQLOGV-MCIONIFRSA-N 2 2 286.441 0.885 20 0 CCADLP C[N@H+]1CC=C(CNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000613264973 364190122 /nfs/dbraw/zinc/19/01/22/364190122.db2.gz IFTCNZMLRHCHLB-LBPRGKRZSA-N 2 2 274.368 0.893 20 0 CCADLP C[N@@H+]1CC=C(CNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000613264973 364190128 /nfs/dbraw/zinc/19/01/28/364190128.db2.gz IFTCNZMLRHCHLB-LBPRGKRZSA-N 2 2 274.368 0.893 20 0 CCADLP C[N@H+]1CC=C(CNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000613264973 364190132 /nfs/dbraw/zinc/19/01/32/364190132.db2.gz IFTCNZMLRHCHLB-LBPRGKRZSA-N 2 2 274.368 0.893 20 0 CCADLP C[N@@H+]1CC=C(CNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000613264973 364190139 /nfs/dbraw/zinc/19/01/39/364190139.db2.gz IFTCNZMLRHCHLB-LBPRGKRZSA-N 2 2 274.368 0.893 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000564904912 291313173 /nfs/dbraw/zinc/31/31/73/291313173.db2.gz FMQJLRMTHHHMKH-SCZZXKLOSA-N 2 2 254.359 0.353 20 0 CCADLP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000564904912 291313174 /nfs/dbraw/zinc/31/31/74/291313174.db2.gz FMQJLRMTHHHMKH-SCZZXKLOSA-N 2 2 254.359 0.353 20 0 CCADLP C[C@H](N[C@@H](C)[C@H]1CCC[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000422745873 299344566 /nfs/dbraw/zinc/34/45/66/299344566.db2.gz VWGYCUDAIPNXBN-XDQVBPFNSA-N 2 2 255.406 0.826 20 0 CCADLP O=S1(=O)Cc2ccccc2[C@@H]([NH2+]C[C@H]2CC[NH2+]C2)C1 ZINC000621776380 366863924 /nfs/dbraw/zinc/86/39/24/366863924.db2.gz KDEDWQHQALEGBC-FZMZJTMJSA-N 2 2 280.393 0.855 20 0 CCADLP O=S1(=O)Cc2ccccc2[C@H]([NH2+]C[C@@H]2CC[NH2+]C2)C1 ZINC000621776379 366864070 /nfs/dbraw/zinc/86/40/70/366864070.db2.gz KDEDWQHQALEGBC-BXUZGUMPSA-N 2 2 280.393 0.855 20 0 CCADLP [NH3+]CC1(CC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CC1 ZINC000564924703 291316986 /nfs/dbraw/zinc/31/69/86/291316986.db2.gz OUSBOLLRYSFHLC-ZDUSSCGKSA-N 2 2 281.400 0.439 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1(C)C ZINC000614409397 364596329 /nfs/dbraw/zinc/59/63/29/364596329.db2.gz FVCCZKPHMSBBFN-GFCCVEGCSA-N 2 2 276.384 0.998 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1(C)C ZINC000614409397 364596335 /nfs/dbraw/zinc/59/63/35/364596335.db2.gz FVCCZKPHMSBBFN-GFCCVEGCSA-N 2 2 276.384 0.998 20 0 CCADLP CC[C@H]1C[N@H+](C)CCCN1C(=O)Cc1c[nH+]cn1C ZINC000614332726 364574109 /nfs/dbraw/zinc/57/41/09/364574109.db2.gz YBJCDISZQCNYHV-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCCN1C(=O)Cc1c[nH+]cn1C ZINC000614332726 364574113 /nfs/dbraw/zinc/57/41/13/364574113.db2.gz YBJCDISZQCNYHV-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]([NH3+])c1cscn1 ZINC000564934935 291319359 /nfs/dbraw/zinc/31/93/59/291319359.db2.gz ODXVYNRZUSQMDE-UBHAPETDSA-N 2 2 280.397 0.742 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)[C@H]([NH3+])c1cscn1 ZINC000564934935 291319361 /nfs/dbraw/zinc/31/93/61/291319361.db2.gz ODXVYNRZUSQMDE-UBHAPETDSA-N 2 2 280.397 0.742 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000614515049 364645278 /nfs/dbraw/zinc/64/52/78/364645278.db2.gz SFZLLFJNQOMHOQ-OCCSQVGLSA-N 2 2 291.399 0.094 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000614515049 364645288 /nfs/dbraw/zinc/64/52/88/364645288.db2.gz SFZLLFJNQOMHOQ-OCCSQVGLSA-N 2 2 291.399 0.094 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000614515049 364645297 /nfs/dbraw/zinc/64/52/97/364645297.db2.gz SFZLLFJNQOMHOQ-OCCSQVGLSA-N 2 2 291.399 0.094 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000614515049 364645304 /nfs/dbraw/zinc/64/53/04/364645304.db2.gz SFZLLFJNQOMHOQ-OCCSQVGLSA-N 2 2 291.399 0.094 20 0 CCADLP [NH3+]C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CCO1 ZINC000564950335 291324163 /nfs/dbraw/zinc/32/41/63/291324163.db2.gz PBIIDLBBCDKFTF-GFCCVEGCSA-N 2 2 287.323 0.067 20 0 CCADLP C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]c[nH]c4C3)[C@@H]2C1 ZINC000615182670 364873022 /nfs/dbraw/zinc/87/30/22/364873022.db2.gz LKCSQUZCZBVBPL-COPLHBTASA-N 2 2 274.368 0.677 20 0 CCADLP C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]c[nH]c4C3)[C@@H]2C1 ZINC000615182670 364873029 /nfs/dbraw/zinc/87/30/29/364873029.db2.gz LKCSQUZCZBVBPL-COPLHBTASA-N 2 2 274.368 0.677 20 0 CCADLP C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH]c[nH+]c4C3)[C@@H]2C1 ZINC000615182670 364873031 /nfs/dbraw/zinc/87/30/31/364873031.db2.gz LKCSQUZCZBVBPL-COPLHBTASA-N 2 2 274.368 0.677 20 0 CCADLP C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH]c[nH+]c4C3)[C@@H]2C1 ZINC000615182670 364873035 /nfs/dbraw/zinc/87/30/35/364873035.db2.gz LKCSQUZCZBVBPL-COPLHBTASA-N 2 2 274.368 0.677 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]([NH3+])c2c(F)cccc2F)CC[NH2+]1 ZINC000335610780 212322158 /nfs/dbraw/zinc/32/21/58/212322158.db2.gz ZUVFBURTBWRWFD-PRHODGIISA-N 2 2 269.295 0.785 20 0 CCADLP CC(C)COC(=O)N1CCC([NH2+]C[C@H]2C[NH2+]CCO2)CC1 ZINC000496452976 240085076 /nfs/dbraw/zinc/08/50/76/240085076.db2.gz FUQNHCNWDLEULB-CQSZACIVSA-N 2 2 299.415 0.821 20 0 CCADLP C[C@@H](NC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[C@@H](C)[NH+]1CCOCC1 ZINC000417529069 296071182 /nfs/dbraw/zinc/07/11/82/296071182.db2.gz WZQYSFBAIQGRQG-AAVRWANBSA-N 2 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C[NH2+][C@@H](C)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000565218626 291362190 /nfs/dbraw/zinc/36/21/90/291362190.db2.gz ZVOJELVUGYKMGW-JTQLQIEISA-N 2 2 267.398 0.830 20 0 CCADLP C[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000565218626 291362192 /nfs/dbraw/zinc/36/21/92/291362192.db2.gz ZVOJELVUGYKMGW-JTQLQIEISA-N 2 2 267.398 0.830 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3ccncc3Cl)CCN2C1=O ZINC000565238377 291365665 /nfs/dbraw/zinc/36/56/65/291365665.db2.gz HGGWTKHVPSUOTJ-PWSUYJOCSA-N 2 2 280.759 0.479 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3ccncc3Cl)CCN2C1=O ZINC000565238377 291365668 /nfs/dbraw/zinc/36/56/68/291365668.db2.gz HGGWTKHVPSUOTJ-PWSUYJOCSA-N 2 2 280.759 0.479 20 0 CCADLP C[NH+](C)C1CC(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000622007884 366977789 /nfs/dbraw/zinc/97/77/89/366977789.db2.gz QBIQRZIKUGBESQ-VOMCLLRMSA-N 2 2 262.357 0.654 20 0 CCADLP CCOC(=O)C[N@@H+]1CCCN(C(=O)CCCC[NH3+])CC1 ZINC000566194452 291372486 /nfs/dbraw/zinc/37/24/86/291372486.db2.gz 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ZINC000623178981 367467833 /nfs/dbraw/zinc/46/78/33/367467833.db2.gz PMRORNBPZCLJPB-RYUDHWBXSA-N 2 2 276.384 0.950 20 0 CCADLP C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623176037 367462829 /nfs/dbraw/zinc/46/28/29/367462829.db2.gz BPKWIANGEUTCPA-NWDGAFQWSA-N 2 2 262.357 0.656 20 0 CCADLP CN(CC(C)(C)C[NH3+])C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623176032 367463058 /nfs/dbraw/zinc/46/30/58/367463058.db2.gz ARXLASUJMABGCY-NSHDSACASA-N 2 2 264.373 0.889 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623270487 367505749 /nfs/dbraw/zinc/50/57/49/367505749.db2.gz HKLDRIQPLQOZLZ-YPMHNXCESA-N 2 2 262.357 0.798 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623270487 367505755 /nfs/dbraw/zinc/50/57/55/367505755.db2.gz HKLDRIQPLQOZLZ-YPMHNXCESA-N 2 2 262.357 0.798 20 0 CCADLP CC(C)[NH2+]CCC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000566286415 291389337 /nfs/dbraw/zinc/38/93/37/291389337.db2.gz MUOAIILDGRSPLE-LBPRGKRZSA-N 2 2 257.378 0.211 20 0 CCADLP CC(C)[NH2+]CCC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000566286415 291389339 /nfs/dbraw/zinc/38/93/39/291389339.db2.gz MUOAIILDGRSPLE-LBPRGKRZSA-N 2 2 257.378 0.211 20 0 CCADLP CCCn1nccc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000623620749 367608074 /nfs/dbraw/zinc/60/80/74/367608074.db2.gz ZTNJAZNOJCZAPQ-AWEZNQCLSA-N 2 2 293.415 0.723 20 0 CCADLP CCCn1nccc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000623620749 367608081 /nfs/dbraw/zinc/60/80/81/367608081.db2.gz ZTNJAZNOJCZAPQ-AWEZNQCLSA-N 2 2 293.415 0.723 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000566351730 291396545 /nfs/dbraw/zinc/39/65/45/291396545.db2.gz ZOOPKNXOAGLSFX-SWLSCSKDSA-N 2 2 280.368 0.729 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000566351730 291396547 /nfs/dbraw/zinc/39/65/47/291396547.db2.gz ZOOPKNXOAGLSFX-SWLSCSKDSA-N 2 2 280.368 0.729 20 0 CCADLP COC1([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CCC1 ZINC000624086657 367749180 /nfs/dbraw/zinc/74/91/80/367749180.db2.gz 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CCADLP CCC[NH+]1CC[C@H](NC(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000624380603 367863094 /nfs/dbraw/zinc/86/30/94/367863094.db2.gz LXYSBCKWGXZPPQ-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP CCC[NH+]1CC[C@H](NC(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000624380603 367863102 /nfs/dbraw/zinc/86/31/02/367863102.db2.gz LXYSBCKWGXZPPQ-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP Cn1cc(CC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)nn1 ZINC000625255951 368119258 /nfs/dbraw/zinc/11/92/58/368119258.db2.gz WFDCQTHCCMAGQC-NSHDSACASA-N 2 2 260.345 0.960 20 0 CCADLP Cn1cc(CC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)nn1 ZINC000625255951 368119262 /nfs/dbraw/zinc/11/92/62/368119262.db2.gz WFDCQTHCCMAGQC-NSHDSACASA-N 2 2 260.345 0.960 20 0 CCADLP C(C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)OC1CCOCC1 ZINC000625188832 368093620 /nfs/dbraw/zinc/09/36/20/368093620.db2.gz NJCXMDCSUVAIIU-OAHLLOKOSA-N 2 2 298.427 0.836 20 0 CCADLP C(C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)OC1CCOCC1 ZINC000625188832 368093624 /nfs/dbraw/zinc/09/36/24/368093624.db2.gz NJCXMDCSUVAIIU-OAHLLOKOSA-N 2 2 298.427 0.836 20 0 CCADLP C([C@H]1CCCO1)[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625551247 368242856 /nfs/dbraw/zinc/24/28/56/368242856.db2.gz FNWYJFQVYUNBOD-CQSZACIVSA-N 2 2 254.374 0.962 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@H](CCO)C2CCOCC2)n1C ZINC000566496651 291418400 /nfs/dbraw/zinc/41/84/00/291418400.db2.gz KUJKMVQKBUECPN-CQSZACIVSA-N 2 2 267.373 0.996 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000625896409 368361937 /nfs/dbraw/zinc/36/19/37/368361937.db2.gz GCUMHDNOUNIDCO-ZDUSSCGKSA-N 2 2 278.356 0.597 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000625896409 368361939 /nfs/dbraw/zinc/36/19/39/368361939.db2.gz GCUMHDNOUNIDCO-ZDUSSCGKSA-N 2 2 278.356 0.597 20 0 CCADLP Cc1noc([C@H]2OCC[C@H]2[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)n1 ZINC000626144042 368456161 /nfs/dbraw/zinc/45/61/61/368456161.db2.gz PMOZGNVDVOJVKE-UPJWGTAASA-N 2 2 298.387 0.499 20 0 CCADLP Cc1noc([C@H]2OCC[C@H]2[NH2+]C[C@@H](O)C[N@H+](C)C(C)C)n1 ZINC000626144042 368456164 /nfs/dbraw/zinc/45/61/64/368456164.db2.gz PMOZGNVDVOJVKE-UPJWGTAASA-N 2 2 298.387 0.499 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@H](C)[NH+]2CC(C)C2)CC1 ZINC000566628619 291427897 /nfs/dbraw/zinc/42/78/97/291427897.db2.gz IIMIBUCSVBZIEA-UONOGXRCSA-N 2 2 283.416 0.242 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000626206541 368487445 /nfs/dbraw/zinc/48/74/45/368487445.db2.gz RKIDVJOBWMEJON-VXGBXAGGSA-N 2 2 266.345 0.027 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000626206541 368487447 /nfs/dbraw/zinc/48/74/47/368487447.db2.gz RKIDVJOBWMEJON-VXGBXAGGSA-N 2 2 266.345 0.027 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCC3(C[NH+](C)C3)C1)CC2 ZINC000626670685 368605165 /nfs/dbraw/zinc/60/51/65/368605165.db2.gz ZERJWNLXEDQXQN-ZDUSSCGKSA-N 2 2 288.395 0.918 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000626968487 368701271 /nfs/dbraw/zinc/70/12/71/368701271.db2.gz HJRLURIGUMMMIY-QWHCGFSZSA-N 2 2 298.431 0.537 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000626968487 368701279 /nfs/dbraw/zinc/70/12/79/368701279.db2.gz HJRLURIGUMMMIY-QWHCGFSZSA-N 2 2 298.431 0.537 20 0 CCADLP C[NH+](C)C1(CS(=O)(=O)N2CC[N@H+](C)CC2(C)C)CC1 ZINC000632163933 370900411 /nfs/dbraw/zinc/90/04/11/370900411.db2.gz FXTOOWFZJXFBTJ-UHFFFAOYSA-N 2 2 289.445 0.436 20 0 CCADLP C[NH+](C)C1(CS(=O)(=O)N2CC[N@@H+](C)CC2(C)C)CC1 ZINC000632163933 370900414 /nfs/dbraw/zinc/90/04/14/370900414.db2.gz FXTOOWFZJXFBTJ-UHFFFAOYSA-N 2 2 289.445 0.436 20 0 CCADLP O=C(N[C@@H]1CC[NH2+]C1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000627004002 368729255 /nfs/dbraw/zinc/72/92/55/368729255.db2.gz CXJGZOZYBGHTMF-VXGBXAGGSA-N 2 2 275.356 0.321 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)N(C)CCOCC[NH3+])c2[nH+]ccn21 ZINC000627052666 368758756 /nfs/dbraw/zinc/75/87/56/368758756.db2.gz RUKLOSHPQMTFRS-GHMZBOCLSA-N 2 2 281.360 0.506 20 0 CCADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(=O)[nH]n1 ZINC000330611428 296127753 /nfs/dbraw/zinc/12/77/53/296127753.db2.gz OXMFLWCBGSXUDB-CHWSQXEVSA-N 2 2 294.399 0.926 20 0 CCADLP Cc1cc(NCCNC(=O)NCC[NH3+])nc(C(C)C)[nH+]1 ZINC000627066955 368766642 /nfs/dbraw/zinc/76/66/42/368766642.db2.gz TWDXNQYRFJQYIV-UHFFFAOYSA-N 2 2 280.376 0.000 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627049613 368756858 /nfs/dbraw/zinc/75/68/58/368756858.db2.gz WLCKXEQISWXANE-VHSXEESVSA-N 2 2 251.334 0.453 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)nn3)C[C@H]21 ZINC000627650043 369065077 /nfs/dbraw/zinc/06/50/77/369065077.db2.gz WDVXNZOCCPSRTL-YABSGUDNSA-N 2 2 298.350 0.294 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000627931974 369138205 /nfs/dbraw/zinc/13/82/05/369138205.db2.gz HAZSRNRDEUWEPL-WXRRBKDZSA-N 2 2 267.373 0.060 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000627931974 369138209 /nfs/dbraw/zinc/13/82/09/369138209.db2.gz HAZSRNRDEUWEPL-WXRRBKDZSA-N 2 2 267.373 0.060 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000627932337 369138288 /nfs/dbraw/zinc/13/82/88/369138288.db2.gz PZROJEZVSXHHOT-JXQTWKCFSA-N 2 2 281.400 0.450 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000627932337 369138291 /nfs/dbraw/zinc/13/82/91/369138291.db2.gz PZROJEZVSXHHOT-JXQTWKCFSA-N 2 2 281.400 0.450 20 0 CCADLP Cc1c[nH]c(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)[nH+]1 ZINC000628162754 369197095 /nfs/dbraw/zinc/19/70/95/369197095.db2.gz CKJANWYPVQDWGM-OLZOCXBDSA-N 2 2 264.373 0.749 20 0 CCADLP Cc1ncc(C[NH2+]CCC[NH+]2CCC(O)CC2)o1 ZINC000628209212 369212482 /nfs/dbraw/zinc/21/24/82/369212482.db2.gz UGGNXMMIPXRJLX-UHFFFAOYSA-N 2 2 253.346 0.919 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(C(N)=O)no2)CC1(C)C ZINC000628238158 369221728 /nfs/dbraw/zinc/22/17/28/369221728.db2.gz MYLURQHNWSENTM-VIFPVBQESA-N 2 2 266.345 0.736 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]Cc2cc(C(N)=O)no2)CC1(C)C ZINC000628238158 369221732 /nfs/dbraw/zinc/22/17/32/369221732.db2.gz MYLURQHNWSENTM-VIFPVBQESA-N 2 2 266.345 0.736 20 0 CCADLP NC(=O)NC(=O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000330821149 203278060 /nfs/dbraw/zinc/27/80/60/203278060.db2.gz SXOKPRDGMVRSRS-UHFFFAOYSA-N 2 2 293.371 0.984 20 0 CCADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000567280269 291472186 /nfs/dbraw/zinc/47/21/86/291472186.db2.gz VQLZDIKXYOQWPZ-AWEZNQCLSA-N 2 2 264.373 0.174 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](CC(=O)NCC2CC2)CC[C@@H]1C(F)(F)F ZINC000629562053 369709351 /nfs/dbraw/zinc/70/93/51/369709351.db2.gz LHBDTPBOOHCJGS-QWRGUYRKSA-N 2 2 293.333 0.972 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)NCC2CC2)CC[C@@H]1C(F)(F)F ZINC000629562053 369709360 /nfs/dbraw/zinc/70/93/60/369709360.db2.gz LHBDTPBOOHCJGS-QWRGUYRKSA-N 2 2 293.333 0.972 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629565023 369712764 /nfs/dbraw/zinc/71/27/64/369712764.db2.gz UMGIEWPELSWHNX-MXWKQRLJSA-N 3 2 283.338 0.416 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629565023 369712770 /nfs/dbraw/zinc/71/27/70/369712770.db2.gz UMGIEWPELSWHNX-MXWKQRLJSA-N 3 2 283.338 0.416 20 0 CCADLP CC(C)NC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629568139 369713522 /nfs/dbraw/zinc/71/35/22/369713522.db2.gz RPMQOACFLXYVHN-ZJUUUORDSA-N 2 2 281.322 0.970 20 0 CCADLP CC(C)NC(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629568139 369713525 /nfs/dbraw/zinc/71/35/25/369713525.db2.gz RPMQOACFLXYVHN-ZJUUUORDSA-N 2 2 281.322 0.970 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CCc2cn[nH]c2C1)C[NH+]1CCCC1 ZINC000629568296 369713537 /nfs/dbraw/zinc/71/35/37/369713537.db2.gz SUDCDDYXFVDQMN-CHWSQXEVSA-N 2 2 264.373 0.313 20 0 CCADLP C[NH2+]CCOCC[N@H+](C)Cc1nc(CC(F)(F)F)no1 ZINC000629571676 369715921 /nfs/dbraw/zinc/71/59/21/369715921.db2.gz ORTBRDWCESXLAM-UHFFFAOYSA-N 2 2 296.293 0.842 20 0 CCADLP C[NH2+]CCOCC[N@@H+](C)Cc1nc(CC(F)(F)F)no1 ZINC000629571676 369715923 /nfs/dbraw/zinc/71/59/23/369715923.db2.gz ORTBRDWCESXLAM-UHFFFAOYSA-N 2 2 296.293 0.842 20 0 CCADLP Cc1cc(C[C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)n[nH]1 ZINC000629571291 369716250 /nfs/dbraw/zinc/71/62/50/369716250.db2.gz KOVCCIIMZREKJI-BXUZGUMPSA-N 2 2 266.389 0.695 20 0 CCADLP CC(C)(CC[NH2+]C[C@@H](O)C[NH+]1CCCC1)S(C)(=O)=O ZINC000629579759 369722769 /nfs/dbraw/zinc/72/27/69/369722769.db2.gz HDQVAGXALPFWIZ-GFCCVEGCSA-N 2 2 292.445 0.246 20 0 CCADLP [NH3+]CC1CC[NH+](CCS(=O)(=O)c2ccccn2)CC1 ZINC000629508832 369686189 /nfs/dbraw/zinc/68/61/89/369686189.db2.gz DDOYRJMQWHGJQD-UHFFFAOYSA-N 2 2 283.397 0.526 20 0 CCADLP C[NH2+]CCOCC[NH2+][C@H](c1cnn[nH]1)c1ccc(F)cc1 ZINC000629531010 369692425 /nfs/dbraw/zinc/69/24/25/369692425.db2.gz XKZNIKHSHJAULT-AWEZNQCLSA-N 2 2 293.346 0.859 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C[NH+]1CCCC1 ZINC000629579260 369721643 /nfs/dbraw/zinc/72/16/43/369721643.db2.gz DAYOWBNPNUGUAQ-NEPJUHHUSA-N 3 2 264.373 0.313 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C[NH+]1CCCC1 ZINC000629579260 369721649 /nfs/dbraw/zinc/72/16/49/369721649.db2.gz DAYOWBNPNUGUAQ-NEPJUHHUSA-N 3 2 264.373 0.313 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1CCc2nc[nH]c2C1)C[NH+]1CCCC1 ZINC000629579260 369721653 /nfs/dbraw/zinc/72/16/53/369721653.db2.gz DAYOWBNPNUGUAQ-NEPJUHHUSA-N 2 2 264.373 0.313 20 0 CCADLP C[C@H]([NH2+]CCN1CC[C@H](O)C1)c1c[nH+]ccc1N ZINC000629555770 369704754 /nfs/dbraw/zinc/70/47/54/369704754.db2.gz DITBPVQOMSFPTN-QWRGUYRKSA-N 2 2 250.346 0.211 20 0 CCADLP C[C@H](NCC[N@@H+]1CC[C@H](O)C1)c1c[nH+]ccc1N ZINC000629555770 369704759 /nfs/dbraw/zinc/70/47/59/369704759.db2.gz DITBPVQOMSFPTN-QWRGUYRKSA-N 2 2 250.346 0.211 20 0 CCADLP C[C@H](NCC[N@H+]1CC[C@H](O)C1)c1c[nH+]ccc1N ZINC000629555770 369704763 /nfs/dbraw/zinc/70/47/63/369704763.db2.gz DITBPVQOMSFPTN-QWRGUYRKSA-N 2 2 250.346 0.211 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCN(C)CC(F)F ZINC000629555885 369704919 /nfs/dbraw/zinc/70/49/19/369704919.db2.gz HTSJUAFPTVMKQX-MNOVXSKESA-N 2 2 265.348 0.540 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CO[C@@H](C2CC2)C1)C1CC1 ZINC000629607317 369737606 /nfs/dbraw/zinc/73/76/06/369737606.db2.gz LGGRCSXWTKRLNS-IACUBPJLSA-N 2 2 254.374 0.599 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CO[C@@H](C2CC2)C1)C1CC1 ZINC000629607317 369737610 /nfs/dbraw/zinc/73/76/10/369737610.db2.gz LGGRCSXWTKRLNS-IACUBPJLSA-N 2 2 254.374 0.599 20 0 CCADLP O[C@@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C[NH+]1CCCC1 ZINC000629579462 369723114 /nfs/dbraw/zinc/72/31/14/369723114.db2.gz DAYOWBNPNUGUAQ-RYUDHWBXSA-N 3 2 264.373 0.313 20 0 CCADLP O[C@@H](C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C[NH+]1CCCC1 ZINC000629579462 369723119 /nfs/dbraw/zinc/72/31/19/369723119.db2.gz DAYOWBNPNUGUAQ-RYUDHWBXSA-N 3 2 264.373 0.313 20 0 CCADLP O[C@@H](C[NH2+][C@H]1CCc2nc[nH]c2C1)C[NH+]1CCCC1 ZINC000629579462 369723123 /nfs/dbraw/zinc/72/31/23/369723123.db2.gz DAYOWBNPNUGUAQ-RYUDHWBXSA-N 2 2 264.373 0.313 20 0 CCADLP OCc1ccccc1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629583103 369726386 /nfs/dbraw/zinc/72/63/86/369726386.db2.gz QKIJQOUPQCNNGW-HNNXBMFYSA-N 2 2 264.369 0.725 20 0 CCADLP O[C@H](C[NH2+][C@H]1c2ccccc2C[C@H]1O)C[NH+]1CCCC1 ZINC000629583151 369726948 /nfs/dbraw/zinc/72/69/48/369726948.db2.gz RXXYSBRXHGELBT-BMFZPTHFSA-N 2 2 276.380 0.691 20 0 CCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CC(=O)NCC1CC1)C2 ZINC000629598949 369733441 /nfs/dbraw/zinc/73/34/41/369733441.db2.gz YJXRTZFMLJPFEV-OKILXGFUSA-N 2 2 251.374 0.444 20 0 CCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CC(=O)NCC1CC1)C2 ZINC000629598949 369733447 /nfs/dbraw/zinc/73/34/47/369733447.db2.gz YJXRTZFMLJPFEV-OKILXGFUSA-N 2 2 251.374 0.444 20 0 CCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CC(=O)NCc1cccnc1)C2 ZINC000629596424 369733590 /nfs/dbraw/zinc/73/35/90/369733590.db2.gz YTSSZWUHDMRAII-IYBDPMFKSA-N 2 2 288.395 0.629 20 0 CCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CC(=O)NCc1cccnc1)C2 ZINC000629596424 369733595 /nfs/dbraw/zinc/73/35/95/369733595.db2.gz YTSSZWUHDMRAII-IYBDPMFKSA-N 2 2 288.395 0.629 20 0 CCADLP C[C@@](O)(C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)C(F)(F)F ZINC000629602445 369736402 /nfs/dbraw/zinc/73/64/02/369736402.db2.gz FLHRTLMJPBXWND-GXSJLCMTSA-N 2 2 297.321 0.229 20 0 CCADLP c1nc(N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(N2CCOCC2)[nH+]1 ZINC000630558568 370169778 /nfs/dbraw/zinc/16/97/78/370169778.db2.gz WAARLXXQYVDYJD-TXEJJXNPSA-N 2 2 275.356 0.254 20 0 CCADLP CCc1cc(NC[C@H]2COCC[NH2+]2)nc(-c2ccncc2)[nH+]1 ZINC000630532282 370151350 /nfs/dbraw/zinc/15/13/50/370151350.db2.gz HMIJTHITPVMYQP-AWEZNQCLSA-N 2 2 299.378 0.923 20 0 CCADLP C[C@@H](O)[C@H]1CCN(c2cc(N[C@@H]3CC[NH2+]C3)nc[nH+]2)C1 ZINC000630547743 370162779 /nfs/dbraw/zinc/16/27/79/370162779.db2.gz VVDMVVYRRJSRRX-GRYCIOLGSA-N 2 2 277.372 0.458 20 0 CCADLP COC1CC[NH+](Cc2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000630606282 370204372 /nfs/dbraw/zinc/20/43/72/370204372.db2.gz WAPHCVWZJIKWRG-GFCCVEGCSA-N 2 2 279.388 0.641 20 0 CCADLP Cc1nc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)nc(N)[nH+]1 ZINC000631276175 370450172 /nfs/dbraw/zinc/45/01/72/370450172.db2.gz LGOBVXJNHUGRAV-MWLCHTKSSA-N 2 2 262.361 0.656 20 0 CCADLP C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O)[C@@H]1CCC[NH2+]1 ZINC000333309319 296162776 /nfs/dbraw/zinc/16/27/76/296162776.db2.gz RKCWBVUJLDTLRL-XBFCOCLRSA-N 2 2 291.399 0.646 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000331947176 204323510 /nfs/dbraw/zinc/32/35/10/204323510.db2.gz IXLWOULHAKYPOT-CYBMUJFWSA-N 2 2 298.431 0.884 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000331947176 204323514 /nfs/dbraw/zinc/32/35/14/204323514.db2.gz IXLWOULHAKYPOT-CYBMUJFWSA-N 2 2 298.431 0.884 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CC1CSC1 ZINC000633618425 371633840 /nfs/dbraw/zinc/63/38/40/371633840.db2.gz PSAXDGZJMWQGLG-UHFFFAOYSA-N 2 2 273.446 0.739 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CC1CSC1 ZINC000633618425 371633845 /nfs/dbraw/zinc/63/38/45/371633845.db2.gz PSAXDGZJMWQGLG-UHFFFAOYSA-N 2 2 273.446 0.739 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCC2CC(F)(F)C2)[C@H](C[NH3+])C1 ZINC000633783189 371707916 /nfs/dbraw/zinc/70/79/16/371707916.db2.gz NJHYWLYCDGYWAW-LLVKDONJSA-N 2 2 290.358 0.706 20 0 CCADLP C[C@H](O)C[C@H](C)C[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000567875517 291528966 /nfs/dbraw/zinc/52/89/66/291528966.db2.gz GFEHANMHVPEZPL-AHDPXTMNSA-N 2 2 288.432 0.453 20 0 CCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CC(C)(C)O)c2)CC1 ZINC000634194914 371944125 /nfs/dbraw/zinc/94/41/25/371944125.db2.gz XQRFSZPIKVHNBY-UHFFFAOYSA-N 2 2 292.383 0.933 20 0 CCADLP C[C@H](O)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634193909 371944682 /nfs/dbraw/zinc/94/46/82/371944682.db2.gz NSNSZAKSSUHDIO-JTQLQIEISA-N 2 2 264.329 0.153 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640043548 376209363 /nfs/dbraw/zinc/20/93/63/376209363.db2.gz ISQTVEIJYPEDOZ-GARJFASQSA-N 2 2 284.322 0.402 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640043548 376209365 /nfs/dbraw/zinc/20/93/65/376209365.db2.gz ISQTVEIJYPEDOZ-GARJFASQSA-N 2 2 284.322 0.402 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640043548 376209368 /nfs/dbraw/zinc/20/93/68/376209368.db2.gz ISQTVEIJYPEDOZ-GARJFASQSA-N 2 2 284.322 0.402 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640043548 376209371 /nfs/dbraw/zinc/20/93/71/376209371.db2.gz ISQTVEIJYPEDOZ-GARJFASQSA-N 2 2 284.322 0.402 20 0 CCADLP CC(C)C[C@@H]([NH3+])c1noc([C@H](C)N2CC[NH2+]CC2=O)n1 ZINC000634555443 372079779 /nfs/dbraw/zinc/07/97/79/372079779.db2.gz KNEAYFBADKJQNI-VHSXEESVSA-N 2 2 281.360 0.608 20 0 CCADLP C[C@@H]1CC[C@H](C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)O1 ZINC000634688003 372133260 /nfs/dbraw/zinc/13/32/60/372133260.db2.gz FFGCUACNUQFFES-ZIAGYGMSSA-N 2 2 296.415 0.197 20 0 CCADLP C[C@](O)(C[C@H](O)C[NH2+][C@H]1CC[N@H+](CC2CC2)C1)C1CC1 ZINC000634705111 372150596 /nfs/dbraw/zinc/15/05/96/372150596.db2.gz VJSNMOOMGAZECT-JYJNAYRXSA-N 2 2 282.428 0.972 20 0 CCADLP C[C@](O)(C[C@H](O)C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C1CC1 ZINC000634705111 372150599 /nfs/dbraw/zinc/15/05/99/372150599.db2.gz VJSNMOOMGAZECT-JYJNAYRXSA-N 2 2 282.428 0.972 20 0 CCADLP CN(C)C(=O)c1ccc(C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)[nH]1 ZINC000634733746 372177966 /nfs/dbraw/zinc/17/79/66/372177966.db2.gz MRVMTJUVFKMJLV-ABAIWWIYSA-N 2 2 276.384 0.948 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634763789 372211065 /nfs/dbraw/zinc/21/10/65/372211065.db2.gz CXHZVHLXUQNPJV-VXGBXAGGSA-N 3 2 270.421 0.160 20 0 CCADLP O=C(N[C@]12CCC[C@@H]1C[NH2+]C2)[C@@H]1CCc2[nH+]ccn2C1 ZINC000634769918 372218246 /nfs/dbraw/zinc/21/82/46/372218246.db2.gz SSKMPTPVRUUKIG-JMSVASOKSA-N 2 2 274.368 0.704 20 0 CCADLP Cn1ncc2c1nc[nH+]c2N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000634813083 372257190 /nfs/dbraw/zinc/25/71/90/372257190.db2.gz YTSFLVHIDQNIPB-PWSUYJOCSA-N 2 2 272.356 0.942 20 0 CCADLP c1nc(N2CCOCC2)cc(N[C@@H]2CCC[NH2+]CC2)[nH+]1 ZINC000634813374 372258210 /nfs/dbraw/zinc/25/82/10/372258210.db2.gz ITGSUVGZPYENSJ-GFCCVEGCSA-N 2 2 277.372 0.867 20 0 CCADLP c1nc(N[C@@H]2CCC[NH2+]CC2)cc(N2CCOCC2)[nH+]1 ZINC000634813374 372258216 /nfs/dbraw/zinc/25/82/16/372258216.db2.gz ITGSUVGZPYENSJ-GFCCVEGCSA-N 2 2 277.372 0.867 20 0 CCADLP C[NH+](C)[C@@]1(C[NH2+][C@H]2CCNC(=O)CC2)CCSC1 ZINC000634967376 372318782 /nfs/dbraw/zinc/31/87/82/372318782.db2.gz MIFHTUWAVXKQCZ-DGCLKSJQSA-N 2 2 271.430 0.682 20 0 CCADLP COCc1ccc(C[NH+]2CCC([NH2+]CCO)CC2)o1 ZINC000635002669 372336754 /nfs/dbraw/zinc/33/67/54/372336754.db2.gz XFSOHWKTZNROBU-UHFFFAOYSA-N 2 2 268.357 0.972 20 0 CCADLP CC(C)(O)C[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635533234 372597088 /nfs/dbraw/zinc/59/70/88/372597088.db2.gz SFYOKYQWVMZKJV-VXGBXAGGSA-N 2 2 292.383 0.428 20 0 CCADLP CC(C)(O)C[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000635533234 372597092 /nfs/dbraw/zinc/59/70/92/372597092.db2.gz SFYOKYQWVMZKJV-VXGBXAGGSA-N 2 2 292.383 0.428 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)N(C)CC[NH+]1CCOCC1 ZINC000635478329 372544326 /nfs/dbraw/zinc/54/43/26/372544326.db2.gz BAKMUZWFPIMYIL-UHFFFAOYSA-N 2 2 294.399 0.797 20 0 CCADLP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+](C)C ZINC000635553277 372620617 /nfs/dbraw/zinc/62/06/17/372620617.db2.gz YPOXCCICDFMJGI-UKRRQHHQSA-N 3 2 296.459 0.563 20 0 CCADLP C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+](C)C ZINC000635553277 372620624 /nfs/dbraw/zinc/62/06/24/372620624.db2.gz YPOXCCICDFMJGI-UKRRQHHQSA-N 3 2 296.459 0.563 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000333128036 205054754 /nfs/dbraw/zinc/05/47/54/205054754.db2.gz BJEFVNVYNFTQJA-QWHCGFSZSA-N 2 2 298.431 0.537 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000333128036 205054759 /nfs/dbraw/zinc/05/47/59/205054759.db2.gz BJEFVNVYNFTQJA-QWHCGFSZSA-N 2 2 298.431 0.537 20 0 CCADLP CC(C)(CNC(=O)NC[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000333137019 205060545 /nfs/dbraw/zinc/06/05/45/205060545.db2.gz CNBGQAIOKFBWAL-CYBMUJFWSA-N 2 2 298.431 0.396 20 0 CCADLP CC1(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C[NH2+]C1 ZINC000333229498 205135261 /nfs/dbraw/zinc/13/52/61/205135261.db2.gz BQQUYVYDBLQKCW-NSHDSACASA-N 2 2 260.341 0.386 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CC(=O)N(C2CC2)C1 ZINC000333330142 205224033 /nfs/dbraw/zinc/22/40/33/205224033.db2.gz WBGQAFRHFSXYTI-WOPDTQHZSA-N 2 2 267.373 0.106 20 0 CCADLP Cn1cc(C(=O)N2CC[NH+](C)CC2)c([C@H]2CCC[NH2+]C2)n1 ZINC000333355716 205248694 /nfs/dbraw/zinc/24/86/94/205248694.db2.gz BYXGRUAMLALXMM-LBPRGKRZSA-N 2 2 291.399 0.275 20 0 CCADLP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000333467897 205344227 /nfs/dbraw/zinc/34/42/27/205344227.db2.gz AKXJWKGERVLXMM-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP C[NH+](C)C1(CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)CCCC1 ZINC000636466126 373611882 /nfs/dbraw/zinc/61/18/82/373611882.db2.gz WYJQXBKIUYPLLN-LBPRGKRZSA-N 2 2 291.399 0.981 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)c2[nH+]ccn21 ZINC000637197274 373996133 /nfs/dbraw/zinc/99/61/33/373996133.db2.gz HVFACGSJEOIQGD-GRYCIOLGSA-N 2 2 293.371 0.255 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)c2[nH+]ccn21 ZINC000637197274 373996138 /nfs/dbraw/zinc/99/61/38/373996138.db2.gz HVFACGSJEOIQGD-GRYCIOLGSA-N 2 2 293.371 0.255 20 0 CCADLP CC[C@H](C)[NH+]1CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000637441490 374159486 /nfs/dbraw/zinc/15/94/86/374159486.db2.gz NFJCUHWHSRSSPJ-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@H](C)[NH+]1CCN(C(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000637441490 374159494 /nfs/dbraw/zinc/15/94/94/374159494.db2.gz NFJCUHWHSRSSPJ-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP CC(C)C[NH+]1CCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000637446916 374172202 /nfs/dbraw/zinc/17/22/02/374172202.db2.gz UVSHQOQENNGVIF-CQSZACIVSA-N 2 2 298.431 0.300 20 0 CCADLP CC(C)C[NH+]1CCN(C(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000637446916 374172204 /nfs/dbraw/zinc/17/22/04/374172204.db2.gz UVSHQOQENNGVIF-CQSZACIVSA-N 2 2 298.431 0.300 20 0 CCADLP Cn1cc[nH+]c1CN1CCN(C(=O)C[NH2+]CC2CC2)CC1 ZINC000568389527 291588761 /nfs/dbraw/zinc/58/87/61/291588761.db2.gz NLFARYIOMFYBFC-UHFFFAOYSA-N 2 2 291.399 0.064 20 0 CCADLP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000637797880 374322842 /nfs/dbraw/zinc/32/28/42/374322842.db2.gz RTFUGDCCIPMOIO-CABCVRRESA-N 2 2 290.411 0.395 20 0 CCADLP C[NH2+]CCCNC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000637807079 374337798 /nfs/dbraw/zinc/33/77/98/374337798.db2.gz ZNKZUFGJCPZEHW-LLVKDONJSA-N 2 2 250.346 0.480 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CCC[C@@H]([NH2+]C)C2)[nH+]1 ZINC000637822384 374360023 /nfs/dbraw/zinc/36/00/23/374360023.db2.gz ANJWDKPFXMIXAS-LLVKDONJSA-N 2 2 250.346 0.725 20 0 CCADLP C[C@@H]([N@H+](CCO)C1CC[NH+](C)CC1)C(C)(C)n1cncn1 ZINC000637815506 374349986 /nfs/dbraw/zinc/34/99/86/374349986.db2.gz USMAXFPMJKXOHI-CYBMUJFWSA-N 2 2 295.431 0.790 20 0 CCADLP C[C@@H]([N@@H+](CCO)C1CC[NH+](C)CC1)C(C)(C)n1cncn1 ZINC000637815506 374349994 /nfs/dbraw/zinc/34/99/94/374349994.db2.gz USMAXFPMJKXOHI-CYBMUJFWSA-N 2 2 295.431 0.790 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1)CC2 ZINC000637842150 374392102 /nfs/dbraw/zinc/39/21/02/374392102.db2.gz XQBBPIWDACIVBH-GMXVVIOVSA-N 2 2 276.384 0.963 20 0 CCADLP Nc1nc(N)c(CN2CC[NH+](C3CCCC3)CC2)c[nH+]1 ZINC000637892433 374454827 /nfs/dbraw/zinc/45/48/27/374454827.db2.gz KBNIQJWKSQBPSZ-UHFFFAOYSA-N 2 2 276.388 0.362 20 0 CCADLP CC[NH+](CC)[C@@H]1CCN(Cc2c[nH+]c(N)nc2N)C1 ZINC000637892366 374455866 /nfs/dbraw/zinc/45/58/66/374455866.db2.gz QOGUIENXXPWQRF-LLVKDONJSA-N 2 2 264.377 0.218 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000638077344 374633486 /nfs/dbraw/zinc/63/34/86/374633486.db2.gz RNUQAJCCSOZLNQ-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP COC[C@@]1(C(=O)N2CC[NH+](C3CC3)CC2)CCCC[NH2+]1 ZINC000638062730 374607267 /nfs/dbraw/zinc/60/72/67/374607267.db2.gz QHRNMRNPWQUCGF-OAHLLOKOSA-N 2 2 281.400 0.452 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000638063289 374609739 /nfs/dbraw/zinc/60/97/39/374609739.db2.gz CKDCAMLYIPFEGJ-LBPRGKRZSA-N 2 2 292.383 0.532 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@@]2(C)C[NH2+]CCO2)c[nH+]1 ZINC000638069753 374617387 /nfs/dbraw/zinc/61/73/87/374617387.db2.gz RZRYTRRBPFALAC-CQSZACIVSA-N 2 2 278.356 0.142 20 0 CCADLP CO[C@H]1C[NH2+][C@](C)(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000638116813 374683187 /nfs/dbraw/zinc/68/31/87/374683187.db2.gz HACSNQNEZSRRLW-DOMZBBRYSA-N 2 2 292.383 0.883 20 0 CCADLP CO[C@H]1C[NH2+][C@](C)(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000638116813 374683191 /nfs/dbraw/zinc/68/31/91/374683191.db2.gz HACSNQNEZSRRLW-DOMZBBRYSA-N 2 2 292.383 0.883 20 0 CCADLP C[C@@]1(C(=O)NCc2ccn3cc[nH+]c3c2)C[NH2+]CCO1 ZINC000638119450 374687247 /nfs/dbraw/zinc/68/72/47/374687247.db2.gz RLHQNVOFOPPRPM-AWEZNQCLSA-N 2 2 274.324 0.329 20 0 CCADLP Nc1nc(N)c(CN2CC[C@H](C[NH+]3CCCCC3)C2)c[nH+]1 ZINC000638125829 374694879 /nfs/dbraw/zinc/69/48/79/374694879.db2.gz ZPTDAFZVBFAIJK-GFCCVEGCSA-N 2 2 290.415 0.610 20 0 CCADLP COc1cccc([C@@H]([NH3+])C(=O)NCC(F)(F)C[NH3+])c1 ZINC000638175193 374760069 /nfs/dbraw/zinc/76/00/69/374760069.db2.gz XWNFAJGHBPHADT-SNVBAGLBSA-N 2 2 273.283 0.405 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@H]([NH3+])C1CC1)CC2 ZINC000638155308 374727339 /nfs/dbraw/zinc/72/73/39/374727339.db2.gz UMVPPABCBUPZCX-NEPJUHHUSA-N 2 2 262.357 0.607 20 0 CCADLP CCc1c[nH]c(CC(=O)NC2(C)CC[NH2+]CC2)[nH+]1 ZINC000638209725 374796606 /nfs/dbraw/zinc/79/66/06/374796606.db2.gz ZQBPCAJSCWMXOV-UHFFFAOYSA-N 2 2 250.346 0.773 20 0 CCADLP C[C@H]([NH3+])CNC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000638210256 374798559 /nfs/dbraw/zinc/79/85/59/374798559.db2.gz GXNFTASAWMRHCC-JGVFFNPUSA-N 2 2 264.251 0.840 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000638269134 374870350 /nfs/dbraw/zinc/87/03/50/374870350.db2.gz WBADZAXKWWFJFH-MRVPVSSYSA-N 2 2 264.251 0.657 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000638269134 374870357 /nfs/dbraw/zinc/87/03/57/374870357.db2.gz WBADZAXKWWFJFH-MRVPVSSYSA-N 2 2 264.251 0.657 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000638270777 374871765 /nfs/dbraw/zinc/87/17/65/374871765.db2.gz IYMQOSQHDQPEDM-CYBMUJFWSA-N 2 2 276.384 0.724 20 0 CCADLP CO[C@@H](C[NH2+]CCCn1cc[nH+]c1)[C@H]1CCOC1 ZINC000638285643 374893467 /nfs/dbraw/zinc/89/34/67/374893467.db2.gz JAAAPOZPXCEDAC-STQMWFEESA-N 2 2 253.346 0.914 20 0 CCADLP CCc1c[nH]c(CC(=O)N(C)[C@H](C[NH3+])C2CC2)[nH+]1 ZINC000638330040 374931026 /nfs/dbraw/zinc/93/10/26/374931026.db2.gz ZLLFBARXBLSDSO-LLVKDONJSA-N 2 2 250.346 0.710 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CCC3(CC[NH2+]3)CC2)[nH+]1 ZINC000638357494 374955761 /nfs/dbraw/zinc/95/57/61/374955761.db2.gz MOQWPPJURAYKKA-UHFFFAOYSA-N 2 2 262.357 0.869 20 0 CCADLP COCC[N@H+](C)CCC[NH2+]Cc1snnc1C ZINC000638359071 374957047 /nfs/dbraw/zinc/95/70/47/374957047.db2.gz GUHYGMWRCJNRNH-UHFFFAOYSA-N 2 2 258.391 0.904 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+]Cc1snnc1C ZINC000638359071 374957049 /nfs/dbraw/zinc/95/70/49/374957049.db2.gz GUHYGMWRCJNRNH-UHFFFAOYSA-N 2 2 258.391 0.904 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C2=CC[C@@H]([NH3+])C2)[C@@H](C)CO1 ZINC000638407164 375004659 /nfs/dbraw/zinc/00/46/59/375004659.db2.gz UTTOOXPKCXPEFU-DMDPSCGWSA-N 2 2 267.373 0.259 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2=CC[C@@H]([NH3+])C2)[C@@H](C)CO1 ZINC000638407164 375004667 /nfs/dbraw/zinc/00/46/67/375004667.db2.gz UTTOOXPKCXPEFU-DMDPSCGWSA-N 2 2 267.373 0.259 20 0 CCADLP Cc1cccc2c1C[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)CO2 ZINC000638475524 375073521 /nfs/dbraw/zinc/07/35/21/375073521.db2.gz JZIJTYPPKZFLFM-GXTWGEPZSA-N 2 2 291.395 0.694 20 0 CCADLP COCC[NH+]1CCC(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000574582467 335031857 /nfs/dbraw/zinc/03/18/57/335031857.db2.gz IVMTZNFRIOWOOJ-LBPRGKRZSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[NH+]1CCC(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000574582467 335031858 /nfs/dbraw/zinc/03/18/58/335031858.db2.gz IVMTZNFRIOWOOJ-LBPRGKRZSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H]1CCC[C@H](C)[NH+]1CCNCc1c[nH+]c(N)nc1N ZINC000638579539 375160065 /nfs/dbraw/zinc/16/00/65/375160065.db2.gz RWHPPUIMWXGVDR-QWRGUYRKSA-N 2 2 278.404 0.654 20 0 CCADLP C[NH2+]CCOCCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000638594089 375175574 /nfs/dbraw/zinc/17/55/74/375175574.db2.gz ZNHBFULXFWKETQ-LBPRGKRZSA-N 2 2 268.361 0.529 20 0 CCADLP CCN(CC[NH3+])C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000638519348 375112839 /nfs/dbraw/zinc/11/28/39/375112839.db2.gz XTGNXEUYSHUZCM-ZDUSSCGKSA-N 2 2 269.389 0.437 20 0 CCADLP CCN(CC[NH3+])C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000638519348 375112843 /nfs/dbraw/zinc/11/28/43/375112843.db2.gz XTGNXEUYSHUZCM-ZDUSSCGKSA-N 2 2 269.389 0.437 20 0 CCADLP CN(C)C(=O)C[NH+]1CCC([NH2+]CCC[C@H]2CCO2)CC1 ZINC000638522926 375116257 /nfs/dbraw/zinc/11/62/57/375116257.db2.gz VOSXQBQWICPHNT-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP CO[C@@H](C[NH2+]C[C@H](C)C[NH+]1CCOCC1)C1CC1 ZINC000638674822 375278714 /nfs/dbraw/zinc/27/87/14/375278714.db2.gz NYGDJTORZATRAC-JSGCOSHPSA-N 2 2 256.390 0.969 20 0 CCADLP Cc1cccn2cc(CC(=O)N(C)CCOCC[NH3+])[nH+]c12 ZINC000638676138 375280739 /nfs/dbraw/zinc/28/07/39/375280739.db2.gz PPWKHADSJWUCRJ-UHFFFAOYSA-N 2 2 290.367 0.619 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)NCCOCCC[NH3+])ccn12 ZINC000638663172 375265854 /nfs/dbraw/zinc/26/58/54/375265854.db2.gz ILGYKDJUKPAWGS-UHFFFAOYSA-N 2 2 276.340 0.738 20 0 CCADLP C[C@H]([NH3+])CC(=O)NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000638728934 375324530 /nfs/dbraw/zinc/32/45/30/375324530.db2.gz NINGMIPDVXFRSV-GXTWGEPZSA-N 2 2 292.383 0.136 20 0 CCADLP C[C@H]([NH3+])CC(=O)NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000638728934 375324534 /nfs/dbraw/zinc/32/45/34/375324534.db2.gz NINGMIPDVXFRSV-GXTWGEPZSA-N 2 2 292.383 0.136 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCNC(=O)C1 ZINC000638781058 375353198 /nfs/dbraw/zinc/35/31/98/375353198.db2.gz RHTPJRAPERRYJM-WZRBSPASSA-N 2 2 251.374 0.727 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCNC(=O)C1 ZINC000638781058 375353201 /nfs/dbraw/zinc/35/32/01/375353201.db2.gz RHTPJRAPERRYJM-WZRBSPASSA-N 2 2 251.374 0.727 20 0 CCADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000638932139 375468383 /nfs/dbraw/zinc/46/83/83/375468383.db2.gz ULBTWVHPMBQLMK-WDEREUQCSA-N 2 2 262.357 0.710 20 0 CCADLP CO[C@H](C[NH2+]CC[N@@H+]1CC[C@H](C)C1)[C@H]1CCOC1 ZINC000638873158 375416961 /nfs/dbraw/zinc/41/69/61/375416961.db2.gz FCJFEHGCQCZYSM-MELADBBJSA-N 2 2 256.390 0.969 20 0 CCADLP CO[C@H](C[NH2+]CC[N@H+]1CC[C@H](C)C1)[C@H]1CCOC1 ZINC000638873158 375416967 /nfs/dbraw/zinc/41/69/67/375416967.db2.gz FCJFEHGCQCZYSM-MELADBBJSA-N 2 2 256.390 0.969 20 0 CCADLP CO[C@H](C[NH2+]CC[NH+]1CCC(OC)CC1)[C@@H]1CCOC1 ZINC000638900488 375437999 /nfs/dbraw/zinc/43/79/99/375437999.db2.gz PHVHCJBUMLTECT-UKRRQHHQSA-N 2 2 286.416 0.738 20 0 CCADLP N[C@@]1(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)CC1(F)F ZINC000638984134 375496861 /nfs/dbraw/zinc/49/68/61/375496861.db2.gz SNIXSHRPRLPHAH-GFCCVEGCSA-N 2 2 297.309 0.166 20 0 CCADLP C[NH2+]CC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000638990998 375503286 /nfs/dbraw/zinc/50/32/86/375503286.db2.gz SOKARLMDSDMQRU-UHFFFAOYSA-N 2 2 280.397 0.470 20 0 CCADLP CC(C)(C[NH3+])C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639003270 375512457 /nfs/dbraw/zinc/51/24/57/375512457.db2.gz FXCKFJZOZYPRKU-UHFFFAOYSA-N 2 2 291.399 0.148 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1C[C@H]1C(F)(F)F ZINC000639004228 375513026 /nfs/dbraw/zinc/51/30/26/375513026.db2.gz LEAHDKYTFATOSC-GJMOJQLCSA-N 2 2 253.268 0.332 20 0 CCADLP O=C(N[C@]12CCC[C@@H]1C[NH2+]C2)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000639001844 375513658 /nfs/dbraw/zinc/51/36/58/375513658.db2.gz PKBLXXYWDXCMEB-BIAAXOCRSA-N 2 2 260.341 0.772 20 0 CCADLP O=C(N[C@]12CCC[C@@H]1C[NH2+]C2)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000639001844 375513667 /nfs/dbraw/zinc/51/36/67/375513667.db2.gz PKBLXXYWDXCMEB-BIAAXOCRSA-N 2 2 260.341 0.772 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000639016692 375519563 /nfs/dbraw/zinc/51/95/63/375519563.db2.gz NGXKZWHNNDDVOZ-GFCCVEGCSA-N 2 2 288.355 0.803 20 0 CCADLP CO[C@@]1(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)CCOC1 ZINC000639139053 375598312 /nfs/dbraw/zinc/59/83/12/375598312.db2.gz JGORFMIOMBMJCO-JKSUJKDBSA-N 2 2 298.427 0.836 20 0 CCADLP CO[C@@]1(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)CCOC1 ZINC000639139053 375598314 /nfs/dbraw/zinc/59/83/14/375598314.db2.gz JGORFMIOMBMJCO-JKSUJKDBSA-N 2 2 298.427 0.836 20 0 CCADLP C[C@@H]1CN(CC(C)(C)[NH+]2CCOCC2)C[C@H](C)[N@H+]1CCO ZINC000639234436 375651740 /nfs/dbraw/zinc/65/17/40/375651740.db2.gz FBKZFURMXMHVJO-GASCZTMLSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1CN(CC(C)(C)[NH+]2CCOCC2)C[C@H](C)[N@@H+]1CCO ZINC000639234436 375651748 /nfs/dbraw/zinc/65/17/48/375651748.db2.gz FBKZFURMXMHVJO-GASCZTMLSA-N 2 2 299.459 0.484 20 0 CCADLP CO[C@@]1(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)CCOC1 ZINC000639216930 375638077 /nfs/dbraw/zinc/63/80/77/375638077.db2.gz AEUDOMGBNWSBMA-ZIAGYGMSSA-N 2 2 272.389 0.228 20 0 CCADLP CO[C@@]1(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)CCOC1 ZINC000639216930 375638078 /nfs/dbraw/zinc/63/80/78/375638078.db2.gz AEUDOMGBNWSBMA-ZIAGYGMSSA-N 2 2 272.389 0.228 20 0 CCADLP CO[C@H](C[NH2+]C[C@H]1CCCC[N@@H+]1CCO)C1CC1 ZINC000639218488 375640882 /nfs/dbraw/zinc/64/08/82/375640882.db2.gz KFZXBNPEVWHYCK-ZIAGYGMSSA-N 2 2 256.390 0.848 20 0 CCADLP CO[C@H](C[NH2+]C[C@H]1CCCC[N@H+]1CCO)C1CC1 ZINC000639218488 375640887 /nfs/dbraw/zinc/64/08/87/375640887.db2.gz KFZXBNPEVWHYCK-ZIAGYGMSSA-N 2 2 256.390 0.848 20 0 CCADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]CCC[C@@H]1CCO1 ZINC000639219940 375643500 /nfs/dbraw/zinc/64/35/00/375643500.db2.gz YWWAQUSMDGXDRY-ZIAGYGMSSA-N 2 2 256.390 0.992 20 0 CCADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]CCC[C@@H]1CCO1 ZINC000639219940 375643506 /nfs/dbraw/zinc/64/35/06/375643506.db2.gz YWWAQUSMDGXDRY-ZIAGYGMSSA-N 2 2 256.390 0.992 20 0 CCADLP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000639255994 375667973 /nfs/dbraw/zinc/66/79/73/375667973.db2.gz RJGGDIRMIXEJPS-VXGBXAGGSA-N 2 2 264.373 1.000 20 0 CCADLP CO[C@@]1(C[NH+]2CCN(c3[nH+]ccn3C)CC2)CCOC1 ZINC000639333330 375733612 /nfs/dbraw/zinc/73/36/12/375733612.db2.gz VKJQNDNUJFBATM-CQSZACIVSA-N 2 2 280.372 0.348 20 0 CCADLP C[N@@H+]1CCN(Cc2c[nH+]c3ccccn23)[C@@H](CO)C1 ZINC000639336089 375735216 /nfs/dbraw/zinc/73/52/16/375735216.db2.gz FFILHWRYLWQMDU-CYBMUJFWSA-N 2 2 260.341 0.443 20 0 CCADLP C[N@H+]1CCN(Cc2c[nH+]c3ccccn23)[C@@H](CO)C1 ZINC000639336089 375735224 /nfs/dbraw/zinc/73/52/24/375735224.db2.gz FFILHWRYLWQMDU-CYBMUJFWSA-N 2 2 260.341 0.443 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cccc(F)c1N ZINC000639348715 375747896 /nfs/dbraw/zinc/74/78/96/375747896.db2.gz HRHARLHODKPMBD-ZDUSSCGKSA-N 2 2 294.374 0.837 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cccc(F)c1N ZINC000639348715 375747904 /nfs/dbraw/zinc/74/79/04/375747904.db2.gz HRHARLHODKPMBD-ZDUSSCGKSA-N 2 2 294.374 0.837 20 0 CCADLP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000639355115 375754185 /nfs/dbraw/zinc/75/41/85/375754185.db2.gz PCJCZYXVAHHYQT-RWMBFGLXSA-N 2 2 269.389 0.090 20 0 CCADLP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000639355115 375754190 /nfs/dbraw/zinc/75/41/90/375754190.db2.gz PCJCZYXVAHHYQT-RWMBFGLXSA-N 2 2 269.389 0.090 20 0 CCADLP O=C1C[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCCN1 ZINC000639328948 375727887 /nfs/dbraw/zinc/72/78/87/375727887.db2.gz USLRRCZIADZREO-UONOGXRCSA-N 2 2 281.400 0.498 20 0 CCADLP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000639357608 375757054 /nfs/dbraw/zinc/75/70/54/375757054.db2.gz PCJCZYXVAHHYQT-XQQFMLRXSA-N 2 2 269.389 0.090 20 0 CCADLP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000639357608 375757055 /nfs/dbraw/zinc/75/70/55/375757055.db2.gz PCJCZYXVAHHYQT-XQQFMLRXSA-N 2 2 269.389 0.090 20 0 CCADLP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ncc[nH]2)CC1 ZINC000639373391 375767170 /nfs/dbraw/zinc/76/71/70/375767170.db2.gz YXXBXSQNLHXOKQ-UHFFFAOYSA-N 2 2 252.362 0.735 20 0 CCADLP CC(C)(O)C[NH+]1CCC(NCc2[nH]cc[nH+]2)CC1 ZINC000639373391 375767173 /nfs/dbraw/zinc/76/71/73/375767173.db2.gz YXXBXSQNLHXOKQ-UHFFFAOYSA-N 2 2 252.362 0.735 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC000639543788 375828415 /nfs/dbraw/zinc/82/84/15/375828415.db2.gz QCJIWJSUBYZYOM-GFCCVEGCSA-N 2 2 287.371 0.321 20 0 CCADLP C[C@@H]1OCC[C@H]1C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000639543438 375828771 /nfs/dbraw/zinc/82/87/71/375828771.db2.gz GOIXMFIWNJVMBM-STQMWFEESA-N 2 2 264.373 0.967 20 0 CCADLP C[C@@H]1OCC[C@@H]1C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000639547501 375830699 /nfs/dbraw/zinc/83/06/99/375830699.db2.gz WZVGEFBQNYHTLA-GZBFAFLISA-N 2 2 295.427 0.826 20 0 CCADLP C[C@@H]1OCC[C@@H]1C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000639547501 375830702 /nfs/dbraw/zinc/83/07/02/375830702.db2.gz WZVGEFBQNYHTLA-GZBFAFLISA-N 2 2 295.427 0.826 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@H]1CNC[C@@H](O)C[NH+]1CCOCC1 ZINC000656701842 412843329 /nfs/dbraw/zinc/84/33/29/412843329.db2.gz DLKXAGZJZAFHQH-UONOGXRCSA-N 2 2 285.432 0.142 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@H]1CNC[C@@H](O)C[NH+]1CCOCC1 ZINC000656701842 412843331 /nfs/dbraw/zinc/84/33/31/412843331.db2.gz DLKXAGZJZAFHQH-UONOGXRCSA-N 2 2 285.432 0.142 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000656701211 412843520 /nfs/dbraw/zinc/84/35/20/412843520.db2.gz QXPARWWZRALZRB-AWEZNQCLSA-N 2 2 298.431 0.177 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000656701211 412843522 /nfs/dbraw/zinc/84/35/22/412843522.db2.gz QXPARWWZRALZRB-AWEZNQCLSA-N 2 2 298.431 0.177 20 0 CCADLP CC[N@H+]1[C@H](C)CN(C[C@@H](O)C[NH+]2CCOCC2)C[C@@H]1C ZINC000639744301 375972677 /nfs/dbraw/zinc/97/26/77/375972677.db2.gz CQGUYWWEBBFFDS-ZNMIVQPWSA-N 2 2 285.432 0.094 20 0 CCADLP CC[N@@H+]1[C@H](C)CN(C[C@@H](O)C[NH+]2CCOCC2)C[C@@H]1C ZINC000639744301 375972684 /nfs/dbraw/zinc/97/26/84/375972684.db2.gz CQGUYWWEBBFFDS-ZNMIVQPWSA-N 2 2 285.432 0.094 20 0 CCADLP O=S1(=O)CCC[C@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000069137593 284550915 /nfs/dbraw/zinc/55/09/15/284550915.db2.gz DUQRISJLPOVRLA-LBPRGKRZSA-N 2 2 271.386 0.830 20 0 CCADLP C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764598 375993751 /nfs/dbraw/zinc/99/37/51/375993751.db2.gz HKWNTXVAXXNFTA-CZUORRHYSA-N 2 2 297.443 0.822 20 0 CCADLP C[C@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764598 375993757 /nfs/dbraw/zinc/99/37/57/375993757.db2.gz HKWNTXVAXXNFTA-CZUORRHYSA-N 2 2 297.443 0.822 20 0 CCADLP COc1cc(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)ccn1 ZINC000639767279 375997571 /nfs/dbraw/zinc/99/75/71/375997571.db2.gz QKYGOZSTSFWKPY-HNNXBMFYSA-N 2 2 279.384 0.979 20 0 CCADLP COc1cc(C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)ccn1 ZINC000639767279 375997577 /nfs/dbraw/zinc/99/75/77/375997577.db2.gz QKYGOZSTSFWKPY-HNNXBMFYSA-N 2 2 279.384 0.979 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639778051 376006698 /nfs/dbraw/zinc/00/66/98/376006698.db2.gz PGAKKJWDWFGRGF-CHWSQXEVSA-N 2 2 252.362 0.859 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639778051 376006704 /nfs/dbraw/zinc/00/67/04/376006704.db2.gz PGAKKJWDWFGRGF-CHWSQXEVSA-N 2 2 252.362 0.859 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639778051 376006706 /nfs/dbraw/zinc/00/67/06/376006706.db2.gz PGAKKJWDWFGRGF-CHWSQXEVSA-N 2 2 252.362 0.859 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639778051 376006712 /nfs/dbraw/zinc/00/67/12/376006712.db2.gz PGAKKJWDWFGRGF-CHWSQXEVSA-N 2 2 252.362 0.859 20 0 CCADLP Cc1noc(CCC[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)n1 ZINC000639762833 375989838 /nfs/dbraw/zinc/98/98/38/375989838.db2.gz NXADVHQKNGSQEQ-CQSZACIVSA-N 2 2 282.388 0.699 20 0 CCADLP Cc1noc(CCC[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)n1 ZINC000639762833 375989841 /nfs/dbraw/zinc/98/98/41/375989841.db2.gz NXADVHQKNGSQEQ-CQSZACIVSA-N 2 2 282.388 0.699 20 0 CCADLP CC1([NH+]2CCCC2)CC[NH+](CCOCCO)CC1 ZINC000639981873 376168170 /nfs/dbraw/zinc/16/81/70/376168170.db2.gz ANPZJCQFXUHKLU-UHFFFAOYSA-N 2 2 256.390 0.946 20 0 CCADLP Cc1cncc(C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)c1 ZINC000640051481 376215560 /nfs/dbraw/zinc/21/55/60/376215560.db2.gz NYRMCBHZGUBBKY-UHFFFAOYSA-N 2 2 276.384 0.596 20 0 CCADLP Cc1cncc(C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)c1 ZINC000640051481 376215563 /nfs/dbraw/zinc/21/55/63/376215563.db2.gz NYRMCBHZGUBBKY-UHFFFAOYSA-N 2 2 276.384 0.596 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCC(C)(C)O1 ZINC000640051469 376216752 /nfs/dbraw/zinc/21/67/52/376216752.db2.gz NQFJGKBDMINZPQ-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCC(C)(C)O1 ZINC000640051469 376216755 /nfs/dbraw/zinc/21/67/55/376216755.db2.gz NQFJGKBDMINZPQ-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@@H]1C[C@H](C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000640051580 376216850 /nfs/dbraw/zinc/21/68/50/376216850.db2.gz QXLVKXXVZSQCMM-ZIAGYGMSSA-N 2 2 283.416 0.507 20 0 CCADLP CC(C)(C(=O)N[C@@H](CO)C[NH+]1CCCC1)c1c[nH]c[nH+]1 ZINC000640321971 376313481 /nfs/dbraw/zinc/31/34/81/376313481.db2.gz SEEAPEJHSJGNQN-LLVKDONJSA-N 2 2 280.372 0.260 20 0 CCADLP CC(C)(C(=O)N[C@@H](CO)C[NH+]1CCCC1)c1c[nH+]c[nH]1 ZINC000640321971 376313492 /nfs/dbraw/zinc/31/34/92/376313492.db2.gz SEEAPEJHSJGNQN-LLVKDONJSA-N 2 2 280.372 0.260 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N1CCn2c[nH+]cc2C1 ZINC000640454097 376371279 /nfs/dbraw/zinc/37/12/79/376371279.db2.gz GORBNCCYPOKGHF-UHFFFAOYSA-N 2 2 259.313 0.902 20 0 CCADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@@H]1CCC[NH2+]CC1 ZINC000641076283 376743897 /nfs/dbraw/zinc/74/38/97/376743897.db2.gz RHVSDISINLKHLY-MCIONIFRSA-N 2 2 296.415 0.291 20 0 CCADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)N[C@@H]1CCC[NH2+]CC1 ZINC000641076283 376743901 /nfs/dbraw/zinc/74/39/01/376743901.db2.gz RHVSDISINLKHLY-MCIONIFRSA-N 2 2 296.415 0.291 20 0 CCADLP COC[C@H]([NH3+])Cc1cn(Cc2ccc(N(C)C)[nH+]c2)nn1 ZINC000641178557 376852088 /nfs/dbraw/zinc/85/20/88/376852088.db2.gz XXVCZZFZIHWWSN-GFCCVEGCSA-N 2 2 290.371 0.304 20 0 CCADLP O=S(=O)(CCn1cc[nH+]c1)NC1CC[NH+](C2CC2)CC1 ZINC000641263971 376952242 /nfs/dbraw/zinc/95/22/42/376952242.db2.gz FRWQBRNDZZIHQG-UHFFFAOYSA-N 2 2 298.412 0.429 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641394191 377066204 /nfs/dbraw/zinc/06/62/04/377066204.db2.gz FWVHZHWXBIIQON-DGCLKSJQSA-N 2 2 298.412 0.285 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641394191 377066210 /nfs/dbraw/zinc/06/62/10/377066210.db2.gz FWVHZHWXBIIQON-DGCLKSJQSA-N 2 2 298.412 0.285 20 0 CCADLP C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641566179 377264890 /nfs/dbraw/zinc/26/48/90/377264890.db2.gz AZEHEIDBFHCBRN-TXEJJXNPSA-N 2 2 286.401 0.143 20 0 CCADLP CC(C)[C@H]1CN(S(=O)(=O)CCn2cc[nH+]c2)CC[NH2+]1 ZINC000641622549 377328009 /nfs/dbraw/zinc/32/80/09/377328009.db2.gz YAOIMNSFIKJCDW-GFCCVEGCSA-N 2 2 286.401 0.143 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1ccncc1N ZINC000641769821 377453641 /nfs/dbraw/zinc/45/36/41/377453641.db2.gz DXBGJPRDESOFSS-ZDUSSCGKSA-N 2 2 266.389 0.846 20 0 CCADLP CN(C)c1[nH+]cc(CNc2cc(CO)cc[nH+]2)n1C ZINC000641762098 377450098 /nfs/dbraw/zinc/45/00/98/377450098.db2.gz FEZGHDYLRKMFER-UHFFFAOYSA-N 2 2 261.329 0.986 20 0 CCADLP CCOC[C@@H](C)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641786238 377462160 /nfs/dbraw/zinc/46/21/60/377462160.db2.gz JPPZLBXOQXFAAU-CVEARBPZSA-N 2 2 299.459 0.798 20 0 CCADLP COc1cc(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)on1 ZINC000641800090 377468373 /nfs/dbraw/zinc/46/83/73/377468373.db2.gz VKEUUKUBDOMZDX-LLVKDONJSA-N 2 2 292.343 0.571 20 0 CCADLP COc1cc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)on1 ZINC000641800090 377468381 /nfs/dbraw/zinc/46/83/81/377468381.db2.gz VKEUUKUBDOMZDX-LLVKDONJSA-N 2 2 292.343 0.571 20 0 CCADLP CC1(C)[C@H]([NH2+]C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C[C@@H]1[NH3+] ZINC000641801636 377471719 /nfs/dbraw/zinc/47/17/19/377471719.db2.gz DAOCPKWOMKBGKP-ZQDZILKHSA-N 3 2 277.412 0.633 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C[NH+]1CCCC1 ZINC000422967213 249012442 /nfs/dbraw/zinc/01/24/42/249012442.db2.gz BQUKSZIEBLRTON-LVQVYYBASA-N 3 2 281.444 0.953 20 0 CCADLP O=C1C[C@H]([NH2+][C@H]2CC[NH2+]C2)CN1CCOc1ccccc1 ZINC000514660415 249096661 /nfs/dbraw/zinc/09/66/61/249096661.db2.gz JPLHJIRRLLMFGW-KBPBESRZSA-N 2 2 289.379 0.618 20 0 CCADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC[NH2+]1 ZINC000514783417 249104821 /nfs/dbraw/zinc/10/48/21/249104821.db2.gz XKENIBCPBNTWBP-SNVBAGLBSA-N 2 2 287.323 0.093 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)[NH+]1CC(C)C1 ZINC000515356532 249129720 /nfs/dbraw/zinc/12/97/20/249129720.db2.gz XTPCWBCBEXTXDM-MELADBBJSA-N 2 2 283.416 0.240 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C)[NH+]1CC(C)C1 ZINC000515356532 249129722 /nfs/dbraw/zinc/12/97/22/249129722.db2.gz XTPCWBCBEXTXDM-MELADBBJSA-N 2 2 283.416 0.240 20 0 CCADLP Cc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])nc1C ZINC000515402564 249133399 /nfs/dbraw/zinc/13/33/99/249133399.db2.gz CRLWLAVYMHQWBX-CQSZACIVSA-N 2 2 291.399 0.483 20 0 CCADLP Cc1ccc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])nc1C ZINC000515402564 249133401 /nfs/dbraw/zinc/13/34/01/249133401.db2.gz CRLWLAVYMHQWBX-CQSZACIVSA-N 2 2 291.399 0.483 20 0 CCADLP CC1(C)CC[N@H+](CC(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000515497019 249137268 /nfs/dbraw/zinc/13/72/68/249137268.db2.gz NDADKAWZKCVQBI-UHFFFAOYSA-N 2 2 262.357 0.998 20 0 CCADLP CC1(C)CC[N@@H+](CC(=O)N2CC(n3cc[nH+]c3)C2)C1 ZINC000515497019 249137270 /nfs/dbraw/zinc/13/72/70/249137270.db2.gz NDADKAWZKCVQBI-UHFFFAOYSA-N 2 2 262.357 0.998 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCCn1cc[nH+]c1C ZINC000516580451 249172247 /nfs/dbraw/zinc/17/22/47/249172247.db2.gz HLYSPXHMWCHAPD-CQSZACIVSA-N 3 2 268.405 0.826 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCCn1cc[nH+]c1C ZINC000516580451 249172249 /nfs/dbraw/zinc/17/22/49/249172249.db2.gz HLYSPXHMWCHAPD-CQSZACIVSA-N 3 2 268.405 0.826 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000516580451 249172252 /nfs/dbraw/zinc/17/22/52/249172252.db2.gz HLYSPXHMWCHAPD-CQSZACIVSA-N 3 2 268.405 0.826 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000516580451 249172254 /nfs/dbraw/zinc/17/22/54/249172254.db2.gz HLYSPXHMWCHAPD-CQSZACIVSA-N 3 2 268.405 0.826 20 0 CCADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC000516770813 249178658 /nfs/dbraw/zinc/17/86/58/249178658.db2.gz NZWQQXGOXHSDDG-YPMHNXCESA-N 2 2 257.378 0.245 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N1CC[N@H+](C)C(C)(C)C1 ZINC000516875807 249185374 /nfs/dbraw/zinc/18/53/74/249185374.db2.gz WNUOYCNWTQILFD-ZDUSSCGKSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000516875807 249185376 /nfs/dbraw/zinc/18/53/76/249185376.db2.gz WNUOYCNWTQILFD-ZDUSSCGKSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@@H](CNC(=O)[C@H](C)[NH+]1CC(C)C1)N1CC[NH+](C)CC1 ZINC000517245564 249212918 /nfs/dbraw/zinc/21/29/18/249212918.db2.gz UPUFMQFNJGSUHU-KBPBESRZSA-N 2 2 282.432 0.079 20 0 CCADLP CC1CC[NH+](CCNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1 ZINC000517537914 249220855 /nfs/dbraw/zinc/22/08/55/249220855.db2.gz OQUDYWDSLMGNCW-CQSZACIVSA-N 3 2 297.447 0.003 20 0 CCADLP CCn1ccnc1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000517795124 249230832 /nfs/dbraw/zinc/23/08/32/249230832.db2.gz FECXSGPPPNKYDE-UHFFFAOYSA-N 2 2 266.389 0.839 20 0 CCADLP C[C@H]1CN(c2cc(-n3cc[nH+]c3)ncn2)[C@@H](C)C[NH2+]1 ZINC000643023130 377692536 /nfs/dbraw/zinc/69/25/36/377692536.db2.gz UERRYHOSSMDZJU-QWRGUYRKSA-N 2 2 258.329 0.849 20 0 CCADLP Cc1nc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)nc(N(C)C)[nH+]1 ZINC000643031147 377697208 /nfs/dbraw/zinc/69/72/08/377697208.db2.gz HWVDHFLSLWNEIF-WDEREUQCSA-N 2 2 262.361 0.434 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000569776857 291707774 /nfs/dbraw/zinc/70/77/74/291707774.db2.gz 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/nfs/dbraw/zinc/05/85/02/335058502.db2.gz XRHSBFOFQZCRGX-NEPJUHHUSA-N 2 2 284.404 0.276 20 0 CCADLP O=C(C[NH2+]CC1CC1)NCCCCn1cc[nH+]c1 ZINC000045109150 388873333 /nfs/dbraw/zinc/87/33/33/388873333.db2.gz TZQNXUXEZZQEID-UHFFFAOYSA-N 2 2 250.346 0.779 20 0 CCADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(S(N)(=O)=O)cc1 ZINC000041119551 388861338 /nfs/dbraw/zinc/86/13/38/388861338.db2.gz TWVIVCKKLIIXFL-LLVKDONJSA-N 2 2 294.380 0.881 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@@H](CO)c1ccc(F)cc1)C1CC1 ZINC000289460135 388870651 /nfs/dbraw/zinc/87/06/51/388870651.db2.gz GEPFAJWHIXZBAL-CABCVRRESA-N 2 2 282.359 0.904 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H](CO)c1ccc(F)cc1)C1CC1 ZINC000289460135 388870654 /nfs/dbraw/zinc/87/06/54/388870654.db2.gz GEPFAJWHIXZBAL-CABCVRRESA-N 2 2 282.359 0.904 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044529966 388871338 /nfs/dbraw/zinc/87/13/38/388871338.db2.gz RCWFDUPGLRLGTB-LLVKDONJSA-N 2 2 270.377 0.283 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044529966 388871339 /nfs/dbraw/zinc/87/13/39/388871339.db2.gz RCWFDUPGLRLGTB-LLVKDONJSA-N 2 2 270.377 0.283 20 0 CCADLP C[C@H]1CC[N@H+](CCN2CCNC2=O)C[C@@H]1n1cc[nH+]c1 ZINC000289769805 388890916 /nfs/dbraw/zinc/89/09/16/388890916.db2.gz ILDSBBGVVGEYRS-STQMWFEESA-N 2 2 277.372 0.791 20 0 CCADLP C[C@H]1CC[N@@H+](CCN2CCNC2=O)C[C@@H]1n1cc[nH+]c1 ZINC000289769805 388890917 /nfs/dbraw/zinc/89/09/17/388890917.db2.gz ILDSBBGVVGEYRS-STQMWFEESA-N 2 2 277.372 0.791 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)NCc1c[nH+]cn1C ZINC000290633783 388909621 /nfs/dbraw/zinc/90/96/21/388909621.db2.gz DCDILHAZNNYOEB-JTQLQIEISA-N 2 2 253.350 0.560 20 0 CCADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188726570 388939437 /nfs/dbraw/zinc/93/94/37/388939437.db2.gz BRVZJWFHLKWSDU-WCQYABFASA-N 2 2 292.358 0.867 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)NCc2c[nH+]cn2C)CC1 ZINC000292314349 388947854 /nfs/dbraw/zinc/94/78/54/388947854.db2.gz LYWZEBDLJJLFMD-UHFFFAOYSA-N 2 2 265.361 0.656 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000295247894 388997385 /nfs/dbraw/zinc/99/73/85/388997385.db2.gz PYCZQFBBZQGOCE-LLVKDONJSA-N 2 2 259.313 0.734 20 0 CCADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000081570450 389001135 /nfs/dbraw/zinc/00/11/35/389001135.db2.gz PMQALTQTQRTVJI-WDEREUQCSA-N 2 2 270.377 0.234 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000081570450 389001139 /nfs/dbraw/zinc/00/11/39/389001139.db2.gz PMQALTQTQRTVJI-WDEREUQCSA-N 2 2 270.377 0.234 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000081570450 389001142 /nfs/dbraw/zinc/00/11/42/389001142.db2.gz PMQALTQTQRTVJI-WDEREUQCSA-N 2 2 270.377 0.234 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000081570450 389001144 /nfs/dbraw/zinc/00/11/44/389001144.db2.gz PMQALTQTQRTVJI-WDEREUQCSA-N 2 2 270.377 0.234 20 0 CCADLP CC(C)[C@H](O)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354557949 389028302 /nfs/dbraw/zinc/02/83/02/389028302.db2.gz IDPFDCFWILQENG-ZFWWWQNUSA-N 2 2 297.443 0.630 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H](CO)OC(C)(C)C1 ZINC000336783469 389017422 /nfs/dbraw/zinc/01/74/22/389017422.db2.gz STAMLZNNRAAMBZ-OLZOCXBDSA-N 2 2 256.390 0.942 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H](CO)OC(C)(C)C1 ZINC000336783469 389017427 /nfs/dbraw/zinc/01/74/27/389017427.db2.gz STAMLZNNRAAMBZ-OLZOCXBDSA-N 2 2 256.390 0.942 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000336783469 389017432 /nfs/dbraw/zinc/01/74/32/389017432.db2.gz STAMLZNNRAAMBZ-OLZOCXBDSA-N 2 2 256.390 0.942 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000336783469 389017438 /nfs/dbraw/zinc/01/74/38/389017438.db2.gz STAMLZNNRAAMBZ-OLZOCXBDSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@H]1C[C@@H]([NH+](C)CCS(=O)(=O)N(C)C)CC[N@@H+]1C ZINC000336785919 389017756 /nfs/dbraw/zinc/01/77/56/389017756.db2.gz GLNKHBJHEZAHJU-RYUDHWBXSA-N 2 2 277.434 0.292 20 0 CCADLP C[C@H]1C[C@@H]([NH+](C)CCS(=O)(=O)N(C)C)CC[N@H+]1C ZINC000336785919 389017757 /nfs/dbraw/zinc/01/77/57/389017757.db2.gz GLNKHBJHEZAHJU-RYUDHWBXSA-N 2 2 277.434 0.292 20 0 CCADLP C[C@H]1C[C@@H]([N@H+](C)CCS(=O)(=O)N(C)C)CC[NH+]1C ZINC000336785919 389017758 /nfs/dbraw/zinc/01/77/58/389017758.db2.gz GLNKHBJHEZAHJU-RYUDHWBXSA-N 2 2 277.434 0.292 20 0 CCADLP C[C@H]1C[C@@H]([N@@H+](C)CCS(=O)(=O)N(C)C)CC[NH+]1C ZINC000336785919 389017761 /nfs/dbraw/zinc/01/77/61/389017761.db2.gz GLNKHBJHEZAHJU-RYUDHWBXSA-N 2 2 277.434 0.292 20 0 CCADLP CO[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)CC[C@@H]1C ZINC000336786889 389018310 /nfs/dbraw/zinc/01/83/10/389018310.db2.gz CYGNTLAKXVTVQU-IACUBPJLSA-N 2 2 256.390 0.798 20 0 CCADLP CO[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)CC[C@@H]1C ZINC000336786889 389018317 /nfs/dbraw/zinc/01/83/17/389018317.db2.gz CYGNTLAKXVTVQU-IACUBPJLSA-N 2 2 256.390 0.798 20 0 CCADLP CO[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC[C@@H]1C ZINC000336786889 389018321 /nfs/dbraw/zinc/01/83/21/389018321.db2.gz CYGNTLAKXVTVQU-IACUBPJLSA-N 2 2 256.390 0.798 20 0 CCADLP CO[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC[C@@H]1C ZINC000336786889 389018323 /nfs/dbraw/zinc/01/83/23/389018323.db2.gz CYGNTLAKXVTVQU-IACUBPJLSA-N 2 2 256.390 0.798 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(O)(C(F)(F)F)CC1)C1CC1 ZINC000336844295 389026311 /nfs/dbraw/zinc/02/63/11/389026311.db2.gz YWHHQQFEDQQLAL-LLVKDONJSA-N 2 2 296.333 0.831 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(O)(C(F)(F)F)CC1)C1CC1 ZINC000336844295 389026315 /nfs/dbraw/zinc/02/63/15/389026315.db2.gz YWHHQQFEDQQLAL-LLVKDONJSA-N 2 2 296.333 0.831 20 0 CCADLP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)CCn1cc[nH+]c1 ZINC000355330989 389061575 /nfs/dbraw/zinc/06/15/75/389061575.db2.gz FQDOIEICQPAGMH-CQSZACIVSA-N 2 2 294.399 0.842 20 0 CCADLP CC[N@@H+]1CC[C@@H]2OCCN(C(=O)CCn3cc[nH+]c3)[C@H]2C1 ZINC000355352712 389065089 /nfs/dbraw/zinc/06/50/89/389065089.db2.gz QJDCEJBEYFNGBB-KBPBESRZSA-N 2 2 292.383 0.595 20 0 CCADLP CC[N@H+]1CC[C@@H]2OCCN(C(=O)CCn3cc[nH+]c3)[C@H]2C1 ZINC000355352712 389065090 /nfs/dbraw/zinc/06/50/90/389065090.db2.gz QJDCEJBEYFNGBB-KBPBESRZSA-N 2 2 292.383 0.595 20 0 CCADLP NC(=O)c1c[nH+]ccc1NCCC[NH+]1CCOCC1 ZINC000302222296 389065724 /nfs/dbraw/zinc/06/57/24/389065724.db2.gz MVSNLONAMXSLPG-UHFFFAOYSA-N 2 2 264.329 0.315 20 0 CCADLP CC(C)(C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000338164002 389082018 /nfs/dbraw/zinc/08/20/18/389082018.db2.gz DYLXJDVHDKHZDX-CYBMUJFWSA-N 2 2 295.427 0.698 20 0 CCADLP CC(C)(C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)[NH+]1CCOCC1 ZINC000338164002 389082022 /nfs/dbraw/zinc/08/20/22/389082022.db2.gz DYLXJDVHDKHZDX-CYBMUJFWSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+](C)CC(C)(C)CNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338165184 389082042 /nfs/dbraw/zinc/08/20/42/389082042.db2.gz QEVYALDNEIFIHO-UHFFFAOYSA-N 2 2 285.432 0.801 20 0 CCADLP C[NH+]1CCC(CCNC(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000338196145 389088337 /nfs/dbraw/zinc/08/83/37/389088337.db2.gz HKBDMWAMULDMBB-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP COC(=O)[C@]1(C)CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000298591698 389033652 /nfs/dbraw/zinc/03/36/52/389033652.db2.gz YLMUIOXOIOVLGO-ZDUSSCGKSA-N 2 2 251.330 0.990 20 0 CCADLP COC(=O)[C@]1(C)CCC[N@H+]1CCc1c[nH+]cn1C ZINC000298591698 389033653 /nfs/dbraw/zinc/03/36/53/389033653.db2.gz YLMUIOXOIOVLGO-ZDUSSCGKSA-N 2 2 251.330 0.990 20 0 CCADLP C[C@H]1C[C@H](C)CN(C(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000107574393 389096925 /nfs/dbraw/zinc/09/69/25/389096925.db2.gz VGBQIEGPDVBGFO-XDQVBPFNSA-N 2 2 265.401 0.642 20 0 CCADLP C[C@H]1C[C@H](C)CN(C(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000107574393 389096927 /nfs/dbraw/zinc/09/69/27/389096927.db2.gz VGBQIEGPDVBGFO-XDQVBPFNSA-N 2 2 265.401 0.642 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000355595934 389098847 /nfs/dbraw/zinc/09/88/47/389098847.db2.gz JFUAFBYQVPOIJP-CQSZACIVSA-N 2 2 284.448 0.328 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000355595934 389098850 /nfs/dbraw/zinc/09/88/50/389098850.db2.gz JFUAFBYQVPOIJP-CQSZACIVSA-N 2 2 284.448 0.328 20 0 CCADLP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000312346121 389107346 /nfs/dbraw/zinc/10/73/46/389107346.db2.gz LVWNWFSTMSHPTI-CABCVRRESA-N 2 2 279.432 0.743 20 0 CCADLP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000312346121 389107348 /nfs/dbraw/zinc/10/73/48/389107348.db2.gz LVWNWFSTMSHPTI-CABCVRRESA-N 2 2 279.432 0.743 20 0 CCADLP CCC(CC)[C@H](C(=O)NC[C@@H](C)[NH3+])[NH+]1CCOCC1 ZINC000194901572 389109737 /nfs/dbraw/zinc/10/97/37/389109737.db2.gz PMZAYILFILQKQB-DGCLKSJQSA-N 2 2 271.405 0.587 20 0 CCADLP CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000356126744 389120684 /nfs/dbraw/zinc/12/06/84/389120684.db2.gz UQEYRRFOKPDATQ-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000356126744 389120687 /nfs/dbraw/zinc/12/06/87/389120687.db2.gz UQEYRRFOKPDATQ-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CC[N@@H+]1CC[C@H]2OCCN(Cc3[nH+]ccn3C)[C@H]2C1 ZINC000339379034 389131526 /nfs/dbraw/zinc/13/15/26/389131526.db2.gz NFWHCEWJGWKFND-QWHCGFSZSA-N 2 2 264.373 0.715 20 0 CCADLP CC[N@H+]1CC[C@H]2OCCN(Cc3[nH+]ccn3C)[C@H]2C1 ZINC000339379034 389131527 /nfs/dbraw/zinc/13/15/27/389131527.db2.gz NFWHCEWJGWKFND-QWHCGFSZSA-N 2 2 264.373 0.715 20 0 CCADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)C[NH3+] ZINC000237200292 389184446 /nfs/dbraw/zinc/18/44/46/389184446.db2.gz JJBNASJRBVLPNA-UHFFFAOYSA-N 2 2 258.325 0.849 20 0 CCADLP C[C@@H](CNC(=O)[C@@H](c1c[nH+]cn1C)N(C)C)C[NH+](C)C ZINC000341255180 389186687 /nfs/dbraw/zinc/18/66/87/389186687.db2.gz HFCNUPNGGQQVKF-WCQYABFASA-N 2 2 281.404 0.337 20 0 CCADLP C[C@H](C(=O)NCC[NH+]1CCOCC1)[C@H]([NH3+])c1ccccc1 ZINC000130077751 389198060 /nfs/dbraw/zinc/19/80/60/389198060.db2.gz APUJHOYUNNOJAN-ZFWWWQNUSA-N 2 2 291.395 0.771 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)NCC(F)(F)F ZINC000123722930 389158099 /nfs/dbraw/zinc/15/80/99/389158099.db2.gz KWMFONRCNJZAQH-VIFPVBQESA-N 2 2 269.311 0.970 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)NCC(F)(F)F ZINC000123722930 389158101 /nfs/dbraw/zinc/15/81/01/389158101.db2.gz KWMFONRCNJZAQH-VIFPVBQESA-N 2 2 269.311 0.970 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)NCC(F)(F)F)C[C@@H]21 ZINC000125354671 389165080 /nfs/dbraw/zinc/16/50/80/389165080.db2.gz JVRQAPMKZRTUBI-KXUCPTDWSA-N 2 2 279.306 0.724 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)NCC(F)(F)F)C[C@@H]21 ZINC000125354671 389165081 /nfs/dbraw/zinc/16/50/81/389165081.db2.gz JVRQAPMKZRTUBI-KXUCPTDWSA-N 2 2 279.306 0.724 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000342702822 389244646 /nfs/dbraw/zinc/24/46/46/389244646.db2.gz ZRZWANOPKRGKDB-AGIUHOORSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000342702822 389244648 /nfs/dbraw/zinc/24/46/48/389244648.db2.gz ZRZWANOPKRGKDB-AGIUHOORSA-N 2 2 269.389 0.211 20 0 CCADLP COC(=O)[C@@H]1CC12CC[NH+](CC[N@@H+]1CCCOCC1)CC2 ZINC000361294932 389211600 /nfs/dbraw/zinc/21/16/00/389211600.db2.gz BWZNXICXJFRPAU-AWEZNQCLSA-N 2 2 296.411 0.984 20 0 CCADLP COC(=O)[C@@H]1CC12CC[NH+](CC[N@H+]1CCCOCC1)CC2 ZINC000361294932 389211602 /nfs/dbraw/zinc/21/16/02/389211602.db2.gz BWZNXICXJFRPAU-AWEZNQCLSA-N 2 2 296.411 0.984 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000131456914 389212646 /nfs/dbraw/zinc/21/26/46/389212646.db2.gz LVIDDBPNNGQXLU-HUUCEWRRSA-N 2 2 295.427 0.970 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000131456914 389212649 /nfs/dbraw/zinc/21/26/49/389212649.db2.gz LVIDDBPNNGQXLU-HUUCEWRRSA-N 2 2 295.427 0.970 20 0 CCADLP CC[N@H+](CC(=O)N1CC[NH+](C2CC2)CC1)C1CC1 ZINC000131527493 389214763 /nfs/dbraw/zinc/21/47/63/389214763.db2.gz KBUXAGPCRZWHLF-UHFFFAOYSA-N 2 2 251.374 0.777 20 0 CCADLP CC[N@@H+](CC(=O)N1CC[NH+](C2CC2)CC1)C1CC1 ZINC000131527493 389214766 /nfs/dbraw/zinc/21/47/66/389214766.db2.gz KBUXAGPCRZWHLF-UHFFFAOYSA-N 2 2 251.374 0.777 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NC(C)(C)C)C2)CC1 ZINC000107372278 285334635 /nfs/dbraw/zinc/33/46/35/285334635.db2.gz PDRJXTYFCCKQRH-CQSZACIVSA-N 2 2 296.459 0.613 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NC(C)(C)C)C2)CC1 ZINC000107372278 285334636 /nfs/dbraw/zinc/33/46/36/285334636.db2.gz PDRJXTYFCCKQRH-CQSZACIVSA-N 2 2 296.459 0.613 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+](CCCCO)CC2)c1 ZINC000264226615 389314163 /nfs/dbraw/zinc/31/41/63/389314163.db2.gz XHBAHGCNFKZWAC-UHFFFAOYSA-N 2 2 265.357 0.985 20 0 CCADLP C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC000346327529 389326719 /nfs/dbraw/zinc/32/67/19/389326719.db2.gz QJCHODQYBSRMFD-BBRMVZONSA-N 2 2 288.395 1.000 20 0 CCADLP C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC000346327529 389326722 /nfs/dbraw/zinc/32/67/22/389326722.db2.gz QJCHODQYBSRMFD-BBRMVZONSA-N 2 2 288.395 1.000 20 0 CCADLP CC[C@H](O)C[NH+]1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000264427358 389327115 /nfs/dbraw/zinc/32/71/15/389327115.db2.gz JXHPGNWJPIUGAV-ZDUSSCGKSA-N 2 2 280.372 0.188 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)NCCCn2cc[nH+]c2)C1 ZINC000264439351 389329060 /nfs/dbraw/zinc/32/90/60/389329060.db2.gz DLPWISUNMDCFMO-ZDUSSCGKSA-N 2 2 295.387 0.293 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)NCCCn2cc[nH+]c2)C1 ZINC000264439351 389329063 /nfs/dbraw/zinc/32/90/63/389329063.db2.gz DLPWISUNMDCFMO-ZDUSSCGKSA-N 2 2 295.387 0.293 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCCS1(=O)=O ZINC000346805803 389338228 /nfs/dbraw/zinc/33/82/28/389338228.db2.gz IWWNURSZUJYUHR-UPJWGTAASA-N 2 2 274.430 0.884 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCCS1(=O)=O ZINC000346805803 389338231 /nfs/dbraw/zinc/33/82/31/389338231.db2.gz IWWNURSZUJYUHR-UPJWGTAASA-N 2 2 274.430 0.884 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1NCC1([NH+](C)C)CCOCC1 ZINC000344447591 389280981 /nfs/dbraw/zinc/28/09/81/389280981.db2.gz LWTFBJIMBKRYIY-STQMWFEESA-N 2 2 255.406 0.637 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1NCC1([NH+](C)C)CCOCC1 ZINC000344447591 389280983 /nfs/dbraw/zinc/28/09/83/389280983.db2.gz LWTFBJIMBKRYIY-STQMWFEESA-N 2 2 255.406 0.637 20 0 CCADLP C[C@H]1CN(C)C[C@@H]1[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000344447591 389280985 /nfs/dbraw/zinc/28/09/85/389280985.db2.gz LWTFBJIMBKRYIY-STQMWFEESA-N 2 2 255.406 0.637 20 0 CCADLP CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)c[nH+]1 ZINC000262421657 389286602 /nfs/dbraw/zinc/28/66/02/389286602.db2.gz QPVUGLPJNKMELZ-CHWSQXEVSA-N 2 2 292.383 0.267 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000331665725 389309709 /nfs/dbraw/zinc/30/97/09/389309709.db2.gz PHGOIHPTTKQJKN-BXUZGUMPSA-N 2 2 282.388 0.248 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000331665725 389309713 /nfs/dbraw/zinc/30/97/13/389309713.db2.gz PHGOIHPTTKQJKN-BXUZGUMPSA-N 2 2 282.388 0.248 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000331665725 389309715 /nfs/dbraw/zinc/30/97/15/389309715.db2.gz PHGOIHPTTKQJKN-BXUZGUMPSA-N 2 2 282.388 0.248 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000331665725 389309718 /nfs/dbraw/zinc/30/97/18/389309718.db2.gz PHGOIHPTTKQJKN-BXUZGUMPSA-N 2 2 282.388 0.248 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN2C(=O)NC[C@@H]2C1 ZINC000162196354 389416388 /nfs/dbraw/zinc/41/63/88/389416388.db2.gz SXPLPKMQBHIQQO-NWDGAFQWSA-N 2 2 252.362 0.180 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN2C(=O)NC[C@@H]2C1 ZINC000162196354 389416389 /nfs/dbraw/zinc/41/63/89/389416389.db2.gz SXPLPKMQBHIQQO-NWDGAFQWSA-N 2 2 252.362 0.180 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000162196354 389416391 /nfs/dbraw/zinc/41/63/91/389416391.db2.gz SXPLPKMQBHIQQO-NWDGAFQWSA-N 2 2 252.362 0.180 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000162196354 389416394 /nfs/dbraw/zinc/41/63/94/389416394.db2.gz SXPLPKMQBHIQQO-NWDGAFQWSA-N 2 2 252.362 0.180 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC000332927857 389394572 /nfs/dbraw/zinc/39/45/72/389394572.db2.gz WEBATNUUHRXVEX-FRRDWIJNSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC000332927857 389394574 /nfs/dbraw/zinc/39/45/74/389394574.db2.gz WEBATNUUHRXVEX-FRRDWIJNSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC000332927857 389394576 /nfs/dbraw/zinc/39/45/76/389394576.db2.gz WEBATNUUHRXVEX-FRRDWIJNSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC000332927857 389394578 /nfs/dbraw/zinc/39/45/78/389394578.db2.gz WEBATNUUHRXVEX-FRRDWIJNSA-N 2 2 284.404 0.099 20 0 CCADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000333004037 389401719 /nfs/dbraw/zinc/40/17/19/389401719.db2.gz OZRVKGMKJDJDRF-QWHCGFSZSA-N 2 2 289.383 0.688 20 0 CCADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000333004037 389401721 /nfs/dbraw/zinc/40/17/21/389401721.db2.gz OZRVKGMKJDJDRF-QWHCGFSZSA-N 2 2 289.383 0.688 20 0 CCADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000332152752 389344980 /nfs/dbraw/zinc/34/49/80/389344980.db2.gz QQPNPMJZAWRQRN-AVGNSLFASA-N 2 2 289.383 0.791 20 0 CCADLP C[NH2+][C@@H]1CCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000332156170 389345925 /nfs/dbraw/zinc/34/59/25/389345925.db2.gz RMMHQZSPOZPVGY-CHWSQXEVSA-N 2 2 289.383 0.664 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)[C@@H](C)C1 ZINC000347812339 389359473 /nfs/dbraw/zinc/35/94/73/389359473.db2.gz QEVSVYXVKIGPAH-HOCLYGCPSA-N 3 2 282.476 0.942 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)[C@@H](C)C1 ZINC000347812339 389359475 /nfs/dbraw/zinc/35/94/75/389359475.db2.gz QEVSVYXVKIGPAH-HOCLYGCPSA-N 3 2 282.476 0.942 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000422733210 389461484 /nfs/dbraw/zinc/46/14/84/389461484.db2.gz QJUDLFPLICIHQN-OLZOCXBDSA-N 2 2 298.431 0.171 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000422733210 389461488 /nfs/dbraw/zinc/46/14/88/389461488.db2.gz QJUDLFPLICIHQN-OLZOCXBDSA-N 2 2 298.431 0.171 20 0 CCADLP C[C@@H]([NH3+])CCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000422792495 389477190 /nfs/dbraw/zinc/47/71/90/389477190.db2.gz ZINZLYFKKBGMKR-DGCLKSJQSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]([NH3+])CCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000422792495 389477194 /nfs/dbraw/zinc/47/71/94/389477194.db2.gz ZINZLYFKKBGMKR-DGCLKSJQSA-N 2 2 269.389 0.341 20 0 CCADLP CCC[N@H+](CC)CCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000350033300 389479445 /nfs/dbraw/zinc/47/94/45/389479445.db2.gz MJTXWMZFPOHUTD-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[N@@H+](CC)CCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000350033300 389479449 /nfs/dbraw/zinc/47/94/49/389479449.db2.gz MJTXWMZFPOHUTD-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2cn[nH]c2)CC1 ZINC000274062746 389481574 /nfs/dbraw/zinc/48/15/74/389481574.db2.gz PBAHKCBZUCJBJL-NWDGAFQWSA-N 2 2 279.388 0.613 20 0 CCADLP COC[C@H](CCC[NH3+])[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000422824801 389484238 /nfs/dbraw/zinc/48/42/38/389484238.db2.gz OLLZWQNQVBASMZ-QWHCGFSZSA-N 3 2 275.462 0.767 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC[NH2+]1 ZINC000422836634 389487469 /nfs/dbraw/zinc/48/74/69/389487469.db2.gz KPYXXSBSHPNAMG-OCCSQVGLSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC[NH2+]1 ZINC000422836634 389487473 /nfs/dbraw/zinc/48/74/73/389487473.db2.gz KPYXXSBSHPNAMG-OCCSQVGLSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC[C@@H]1[NH3+] ZINC000422844625 389489617 /nfs/dbraw/zinc/48/96/17/389489617.db2.gz MLAWMCHHHWDUEB-VHDGCEQUSA-N 2 2 295.427 0.683 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC[C@@H]1[NH3+] ZINC000422844625 389489621 /nfs/dbraw/zinc/48/96/21/389489621.db2.gz MLAWMCHHHWDUEB-VHDGCEQUSA-N 2 2 295.427 0.683 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000270679660 389434226 /nfs/dbraw/zinc/43/42/26/389434226.db2.gz UJYCWVITXJQGLI-QWRGUYRKSA-N 2 2 273.402 0.945 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000270679660 389434228 /nfs/dbraw/zinc/43/42/28/389434228.db2.gz UJYCWVITXJQGLI-QWRGUYRKSA-N 2 2 273.402 0.945 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(c3cc(-n4cccn4)nc(N)[nH+]3)C[C@@H]21 ZINC000333667719 389439623 /nfs/dbraw/zinc/43/96/23/389439623.db2.gz IFQDVPJEXZFJJE-MNOVXSKESA-N 2 2 285.355 0.215 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(c3cc(-n4cccn4)nc(N)[nH+]3)C[C@@H]21 ZINC000333667719 389439628 /nfs/dbraw/zinc/43/96/28/389439628.db2.gz IFQDVPJEXZFJJE-MNOVXSKESA-N 2 2 285.355 0.215 20 0 CCADLP CC(C)CNC(=O)[C@H](C)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422625854 389448114 /nfs/dbraw/zinc/44/81/14/389448114.db2.gz CTHUFJXESUAIDP-LBPRGKRZSA-N 2 2 253.390 0.975 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173641244 389506561 /nfs/dbraw/zinc/50/65/61/389506561.db2.gz AHKUAPXPNLXBKP-STQMWFEESA-N 2 2 299.415 0.470 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173641244 389506565 /nfs/dbraw/zinc/50/65/65/389506565.db2.gz AHKUAPXPNLXBKP-STQMWFEESA-N 2 2 299.415 0.470 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173641244 389506568 /nfs/dbraw/zinc/50/65/68/389506568.db2.gz AHKUAPXPNLXBKP-STQMWFEESA-N 2 2 299.415 0.470 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173641244 389506572 /nfs/dbraw/zinc/50/65/72/389506572.db2.gz AHKUAPXPNLXBKP-STQMWFEESA-N 2 2 299.415 0.470 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(OCCO)cc1 ZINC000422936783 389507741 /nfs/dbraw/zinc/50/77/41/389507741.db2.gz BVTVWIAROAQRPF-HIFRSBDPSA-N 2 2 294.395 0.914 20 0 CCADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000422945810 389509321 /nfs/dbraw/zinc/50/93/21/389509321.db2.gz NZGMBSFZMOTPAP-AAEUAGOBSA-N 2 2 297.424 0.949 20 0 CCADLP Cc1cc(CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C)cc(C)[nH+]1 ZINC000422974101 389513484 /nfs/dbraw/zinc/51/34/84/389513484.db2.gz QKKUILOXBZIYAV-GFCCVEGCSA-N 2 2 290.367 0.135 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCNc1ccccn1 ZINC000422989282 389518259 /nfs/dbraw/zinc/51/82/59/389518259.db2.gz ATGCMNBRMMQAMS-CHWSQXEVSA-N 2 2 264.373 0.850 20 0 CCADLP COC(=O)C[C@H]([NH3+])C(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000423013438 389522382 /nfs/dbraw/zinc/52/23/82/389522382.db2.gz MSNCTJIZZOTBLZ-VIFPVBQESA-N 2 2 276.296 0.700 20 0 CCADLP C[C@](O)(C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)C(F)(F)F ZINC000423015228 389522472 /nfs/dbraw/zinc/52/24/72/389522472.db2.gz QNDLTUZWZJAJEH-AXFHLTTASA-N 2 2 282.306 0.656 20 0 CCADLP COC(=O)[C@@H]1CN(c2cccc(C)[nH+]2)CC[N@H+](C)C1 ZINC000413500876 389524437 /nfs/dbraw/zinc/52/44/37/389524437.db2.gz OSVINYSPZWSHLN-LBPRGKRZSA-N 2 2 263.341 0.931 20 0 CCADLP COC(=O)[C@@H]1CN(c2cccc(C)[nH+]2)CC[N@@H+](C)C1 ZINC000413500876 389524439 /nfs/dbraw/zinc/52/44/39/389524439.db2.gz OSVINYSPZWSHLN-LBPRGKRZSA-N 2 2 263.341 0.931 20 0 CCADLP CC(C)C[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)C(=O)NCC[NH+](C)C ZINC000423028460 389525024 /nfs/dbraw/zinc/52/50/24/389525024.db2.gz QTGWASCOQJRLLI-KFWWJZLASA-N 3 2 298.475 0.809 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C)Cc3ccccc32)C1 ZINC000174617980 389525814 /nfs/dbraw/zinc/52/58/14/389525814.db2.gz BZASRJUSDXTQNV-HNNXBMFYSA-N 2 2 289.379 0.796 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C)Cc3ccccc32)C1 ZINC000174617980 389525818 /nfs/dbraw/zinc/52/58/18/389525818.db2.gz BZASRJUSDXTQNV-HNNXBMFYSA-N 2 2 289.379 0.796 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CC[N@H+](C)Cc3ccccc32)C1 ZINC000174617980 389525821 /nfs/dbraw/zinc/52/58/21/389525821.db2.gz BZASRJUSDXTQNV-HNNXBMFYSA-N 2 2 289.379 0.796 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](C)Cc3ccccc32)C1 ZINC000174617980 389525825 /nfs/dbraw/zinc/52/58/25/389525825.db2.gz BZASRJUSDXTQNV-HNNXBMFYSA-N 2 2 289.379 0.796 20 0 CCADLP CCn1ccnc1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174717695 389528540 /nfs/dbraw/zinc/52/85/40/389528540.db2.gz MSFBNOJXKBIXDB-UHFFFAOYSA-N 2 2 279.432 0.972 20 0 CCADLP CCn1ccnc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174717695 389528543 /nfs/dbraw/zinc/52/85/43/389528543.db2.gz MSFBNOJXKBIXDB-UHFFFAOYSA-N 2 2 279.432 0.972 20 0 CCADLP O=C(Cc1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000423113094 389536403 /nfs/dbraw/zinc/53/64/03/389536403.db2.gz YJWXIWHFZUUQGG-CABCVRRESA-N 2 2 273.380 0.782 20 0 CCADLP c1cc(C[NH2+][C@H]2CC[NH2+]C2)cc(N2CCOCC2)c1 ZINC000423139615 389541996 /nfs/dbraw/zinc/54/19/96/389541996.db2.gz VWQIJGPFKOXHOG-AWEZNQCLSA-N 2 2 261.369 0.975 20 0 CCADLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000175513800 389542395 /nfs/dbraw/zinc/54/23/95/389542395.db2.gz CHWHONMAYQAOMJ-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000423146411 389543168 /nfs/dbraw/zinc/54/31/68/389543168.db2.gz PDZJFTYKXUBVPO-KFWWJZLASA-N 2 2 285.432 0.190 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000423146411 389543171 /nfs/dbraw/zinc/54/31/71/389543171.db2.gz PDZJFTYKXUBVPO-KFWWJZLASA-N 2 2 285.432 0.190 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CCCCN1CCO ZINC000423146411 389543174 /nfs/dbraw/zinc/54/31/74/389543174.db2.gz PDZJFTYKXUBVPO-KFWWJZLASA-N 2 2 285.432 0.190 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423158568 389545428 /nfs/dbraw/zinc/54/54/28/389545428.db2.gz OEZYRKVIEDGUQC-IJLUTSLNSA-N 2 2 277.434 0.434 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1C)[NH+]1CCSCC1 ZINC000335347324 389549735 /nfs/dbraw/zinc/54/97/35/389549735.db2.gz GUNXPUCUOLROFF-RYUDHWBXSA-N 2 2 271.430 0.586 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C)[NH+]1CCSCC1 ZINC000335347324 389549737 /nfs/dbraw/zinc/54/97/37/389549737.db2.gz GUNXPUCUOLROFF-RYUDHWBXSA-N 2 2 271.430 0.586 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1)[NH+](C)C ZINC000350898967 389553300 /nfs/dbraw/zinc/55/33/00/389553300.db2.gz XZXNLXMHVYRRGV-GXTWGEPZSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1)[NH+](C)C ZINC000350898967 389553304 /nfs/dbraw/zinc/55/33/04/389553304.db2.gz XZXNLXMHVYRRGV-GXTWGEPZSA-N 2 2 283.416 0.554 20 0 CCADLP CCCC[C@H](C[NH3+])N[C@@H]1CC[NH2+][C@@H]1C(=O)OCC ZINC000423294894 389560141 /nfs/dbraw/zinc/56/01/41/389560141.db2.gz DCOKEZNKNOBIJW-UTUOFQBUSA-N 2 2 257.378 0.387 20 0 CCADLP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCN[C@@H]1C(=O)OCC ZINC000423294894 389560146 /nfs/dbraw/zinc/56/01/46/389560146.db2.gz DCOKEZNKNOBIJW-UTUOFQBUSA-N 2 2 257.378 0.387 20 0 CCADLP C[C@H](C[NH3+])[NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423322516 389564132 /nfs/dbraw/zinc/56/41/32/389564132.db2.gz IRHXEARTSRDKLX-GHMZBOCLSA-N 2 2 285.413 0.935 20 0 CCADLP Cc1nc(N(C)C)nc(NCCCC[N@H+](C)C2CC2)[nH+]1 ZINC000413350148 389499670 /nfs/dbraw/zinc/49/96/70/389499670.db2.gz VMGQGHOSXBNBHX-UHFFFAOYSA-N 2 2 278.404 0.954 20 0 CCADLP Cc1nc(N(C)C)nc(NCCCC[N@@H+](C)C2CC2)[nH+]1 ZINC000413350148 389499674 /nfs/dbraw/zinc/49/96/74/389499674.db2.gz VMGQGHOSXBNBHX-UHFFFAOYSA-N 2 2 278.404 0.954 20 0 CCADLP Cc1nc(NCCCC[N@H+](C)C2CC2)nc(N(C)C)[nH+]1 ZINC000413350148 389499677 /nfs/dbraw/zinc/49/96/77/389499677.db2.gz VMGQGHOSXBNBHX-UHFFFAOYSA-N 2 2 278.404 0.954 20 0 CCADLP Cc1nc(NCCCC[N@@H+](C)C2CC2)nc(N(C)C)[nH+]1 ZINC000413350148 389499680 /nfs/dbraw/zinc/49/96/80/389499680.db2.gz VMGQGHOSXBNBHX-UHFFFAOYSA-N 2 2 278.404 0.954 20 0 CCADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000422899486 389502123 /nfs/dbraw/zinc/50/21/23/389502123.db2.gz OQJQQAOBQWQXGM-ZIAGYGMSSA-N 2 2 284.448 0.454 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000351188549 389568363 /nfs/dbraw/zinc/56/83/63/389568363.db2.gz YCOOSDIXVVZZJQ-OLZOCXBDSA-N 2 2 289.445 0.484 20 0 CCADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000351188549 389568368 /nfs/dbraw/zinc/56/83/68/389568368.db2.gz YCOOSDIXVVZZJQ-OLZOCXBDSA-N 2 2 289.445 0.484 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000351188549 389568372 /nfs/dbraw/zinc/56/83/72/389568372.db2.gz YCOOSDIXVVZZJQ-OLZOCXBDSA-N 2 2 289.445 0.484 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000351188549 389568376 /nfs/dbraw/zinc/56/83/76/389568376.db2.gz YCOOSDIXVVZZJQ-OLZOCXBDSA-N 2 2 289.445 0.484 20 0 CCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000335798810 389610840 /nfs/dbraw/zinc/61/08/40/389610840.db2.gz VMSYVYSXGDWBEY-AWEZNQCLSA-N 2 2 253.390 0.929 20 0 CCADLP CC(C)NC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000335798810 389610842 /nfs/dbraw/zinc/61/08/42/389610842.db2.gz VMSYVYSXGDWBEY-AWEZNQCLSA-N 2 2 253.390 0.929 20 0 CCADLP CC(C)NC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000335798810 389610844 /nfs/dbraw/zinc/61/08/44/389610844.db2.gz VMSYVYSXGDWBEY-AWEZNQCLSA-N 2 2 253.390 0.929 20 0 CCADLP CC(C)NC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000335798810 389610847 /nfs/dbraw/zinc/61/08/47/389610847.db2.gz VMSYVYSXGDWBEY-AWEZNQCLSA-N 2 2 253.390 0.929 20 0 CCADLP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000423851630 389612708 /nfs/dbraw/zinc/61/27/08/389612708.db2.gz RWBXAYCZXRLIPN-SNVBAGLBSA-N 2 2 261.316 0.536 20 0 CCADLP CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000423851630 389612718 /nfs/dbraw/zinc/61/27/18/389612718.db2.gz RWBXAYCZXRLIPN-SNVBAGLBSA-N 2 2 261.316 0.536 20 0 CCADLP Cc1cc(C[NH2+]C[C@H](C)C[NH+]2CCOCC2)nn1C ZINC000414357375 389613095 /nfs/dbraw/zinc/61/30/95/389613095.db2.gz IZHTUCCTQNDFHM-LBPRGKRZSA-N 2 2 266.389 0.786 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCCNC(=O)C2CCC2)n1C ZINC000414373748 389613517 /nfs/dbraw/zinc/61/35/17/389613517.db2.gz ZTURUWTZCCEAMO-UHFFFAOYSA-N 2 2 293.415 0.882 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCCC[C@@]1(C)C(N)=O)C1CC1 ZINC000351596413 389626081 /nfs/dbraw/zinc/62/60/81/389626081.db2.gz SNYOKHQJCQAGFD-OCCSQVGLSA-N 2 2 269.389 0.171 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCC[C@@]1(C)C(N)=O)C1CC1 ZINC000351596413 389626085 /nfs/dbraw/zinc/62/60/85/389626085.db2.gz SNYOKHQJCQAGFD-OCCSQVGLSA-N 2 2 269.389 0.171 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCCC[C@@]1(C)C(N)=O)C1CC1 ZINC000351596413 389626087 /nfs/dbraw/zinc/62/60/87/389626087.db2.gz SNYOKHQJCQAGFD-OCCSQVGLSA-N 2 2 269.389 0.171 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCCC[C@@]1(C)C(N)=O)C1CC1 ZINC000351596413 389626092 /nfs/dbraw/zinc/62/60/92/389626092.db2.gz SNYOKHQJCQAGFD-OCCSQVGLSA-N 2 2 269.389 0.171 20 0 CCADLP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[NH+](C)CC2)cc1 ZINC000414702753 389628164 /nfs/dbraw/zinc/62/81/64/389628164.db2.gz IKNXHXGVCGEKDG-UHFFFAOYSA-N 2 2 290.367 0.119 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(C)(CO)CC1)C1CC1 ZINC000351601387 389628686 /nfs/dbraw/zinc/62/86/86/389628686.db2.gz FJZAMSSWZCUCJL-CYBMUJFWSA-N 2 2 256.390 0.536 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(C)(CO)CC1)C1CC1 ZINC000351601387 389628691 /nfs/dbraw/zinc/62/86/91/389628691.db2.gz FJZAMSSWZCUCJL-CYBMUJFWSA-N 2 2 256.390 0.536 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)N1CCC1 ZINC000375085089 389638120 /nfs/dbraw/zinc/63/81/20/389638120.db2.gz PXKMMFNXGRBBHA-CYBMUJFWSA-N 2 2 261.325 0.767 20 0 CCADLP O=C(C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)N1CCC1 ZINC000375085089 389638124 /nfs/dbraw/zinc/63/81/24/389638124.db2.gz PXKMMFNXGRBBHA-CYBMUJFWSA-N 2 2 261.325 0.767 20 0 CCADLP COCC[NH2+]CCNCc1c[nH+]c2cccc(C)n12 ZINC000414884606 389642919 /nfs/dbraw/zinc/64/29/19/389642919.db2.gz NWRZYLYTJXRQCS-UHFFFAOYSA-N 2 2 262.357 0.968 20 0 CCADLP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423370720 389574664 /nfs/dbraw/zinc/57/46/64/389574664.db2.gz PTDLQXMNWOOUIO-WDEREUQCSA-N 2 2 285.413 0.935 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@@H+]1CCOC[C@H]1C)[C@H](C)[NH3+] ZINC000423384895 389576617 /nfs/dbraw/zinc/57/66/17/389576617.db2.gz QLPDYNYNEOZDMP-AGIUHOORSA-N 2 2 271.405 0.443 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@H+]1CCOC[C@H]1C)[C@H](C)[NH3+] ZINC000423384895 389576620 /nfs/dbraw/zinc/57/66/20/389576620.db2.gz QLPDYNYNEOZDMP-AGIUHOORSA-N 2 2 271.405 0.443 20 0 CCADLP CC(C)[C@H](C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)[C@@H](C)[NH3+] ZINC000423393524 389578050 /nfs/dbraw/zinc/57/80/50/389578050.db2.gz YQJILWNIOJCSAW-MQYQWHSLSA-N 2 2 285.432 0.831 20 0 CCADLP C[NH2+][C@@H](C)C[NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000423401524 389580176 /nfs/dbraw/zinc/58/01/76/389580176.db2.gz VXWUWXQPUCMBRN-HZMBPMFUSA-N 2 2 297.424 0.909 20 0 CCADLP CNC(=O)C[C@H](C)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000423415679 389582811 /nfs/dbraw/zinc/58/28/11/389582811.db2.gz FCXQVUPTWIHHPJ-FZMZJTMJSA-N 2 2 261.369 0.988 20 0 CCADLP COCCc1noc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000351488101 389590665 /nfs/dbraw/zinc/59/06/65/389590665.db2.gz DQAMAZPCMXKKJQ-GARJFASQSA-N 2 2 266.345 0.428 20 0 CCADLP COCCc1noc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000351488101 389590670 /nfs/dbraw/zinc/59/06/70/389590670.db2.gz DQAMAZPCMXKKJQ-GARJFASQSA-N 2 2 266.345 0.428 20 0 CCADLP C[N@@H+]1CCCC12CC[NH+](CCCS(N)(=O)=O)CC2 ZINC000374601344 389592166 /nfs/dbraw/zinc/59/21/66/389592166.db2.gz FNSCZZOILHJQJG-UHFFFAOYSA-N 2 2 275.418 0.225 20 0 CCADLP C[N@H+]1CCCC12CC[NH+](CCCS(N)(=O)=O)CC2 ZINC000374601344 389592171 /nfs/dbraw/zinc/59/21/71/389592171.db2.gz FNSCZZOILHJQJG-UHFFFAOYSA-N 2 2 275.418 0.225 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)CC1 ZINC000374631227 389594655 /nfs/dbraw/zinc/59/46/55/389594655.db2.gz MVUHQCKASATMNV-CABCVRRESA-N 2 2 281.400 0.308 20 0 CCADLP CNC(=O)c1ccc(C[NH2+]C[C@]2(COC)CCC[NH2+]2)cc1 ZINC000414942286 389645899 /nfs/dbraw/zinc/64/58/99/389645899.db2.gz JXLIGTMPQUBAHE-INIZCTEOSA-N 2 2 291.395 0.904 20 0 CCADLP CC[C@H](C(=O)NCC[N@@H+]1CCOCC1(C)C)[NH+](C)C ZINC000178030482 389596183 /nfs/dbraw/zinc/59/61/83/389596183.db2.gz JEOCTVBANNBSIA-GFCCVEGCSA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@H](C(=O)NCC[N@H+]1CCOCC1(C)C)[NH+](C)C ZINC000178030482 389596188 /nfs/dbraw/zinc/59/61/88/389596188.db2.gz JEOCTVBANNBSIA-GFCCVEGCSA-N 2 2 271.405 0.554 20 0 CCADLP Cc1cc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)on1 ZINC000351502025 389597145 /nfs/dbraw/zinc/59/71/45/389597145.db2.gz YTQZMQIRDKVATH-FIQHERPVSA-N 2 2 278.356 0.979 20 0 CCADLP Cc1cc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)on1 ZINC000351502025 389597150 /nfs/dbraw/zinc/59/71/50/389597150.db2.gz YTQZMQIRDKVATH-FIQHERPVSA-N 2 2 278.356 0.979 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000423509357 389597312 /nfs/dbraw/zinc/59/73/12/389597312.db2.gz JODKQGJQBRKBFR-MGPQQGTHSA-N 2 2 283.416 0.683 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000423509357 389597317 /nfs/dbraw/zinc/59/73/17/389597317.db2.gz JODKQGJQBRKBFR-MGPQQGTHSA-N 2 2 283.416 0.683 20 0 CCADLP CN(C)C(=O)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000351515731 389601385 /nfs/dbraw/zinc/60/13/85/389601385.db2.gz UIZQKRQRWRVDTQ-CYBMUJFWSA-N 2 2 253.390 0.738 20 0 CCADLP CN(C)C(=O)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000351515731 389601390 /nfs/dbraw/zinc/60/13/90/389601390.db2.gz UIZQKRQRWRVDTQ-CYBMUJFWSA-N 2 2 253.390 0.738 20 0 CCADLP CN(C)C(=O)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000351515731 389601393 /nfs/dbraw/zinc/60/13/93/389601393.db2.gz UIZQKRQRWRVDTQ-CYBMUJFWSA-N 2 2 253.390 0.738 20 0 CCADLP CN(C)C(=O)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000351515731 389601396 /nfs/dbraw/zinc/60/13/96/389601396.db2.gz UIZQKRQRWRVDTQ-CYBMUJFWSA-N 2 2 253.390 0.738 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000375816007 389716657 /nfs/dbraw/zinc/71/66/57/389716657.db2.gz QGCYLNJURHXVNL-LLVKDONJSA-N 2 2 282.388 0.391 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000375816007 389716659 /nfs/dbraw/zinc/71/66/59/389716659.db2.gz QGCYLNJURHXVNL-LLVKDONJSA-N 2 2 282.388 0.391 20 0 CCADLP COCc1cccc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)c1 ZINC000414966253 389649613 /nfs/dbraw/zinc/64/96/13/389649613.db2.gz OJXSCXUVMLTPBL-HNNXBMFYSA-N 2 2 263.385 0.826 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1cc(O)cc(F)c1 ZINC000414981991 389650437 /nfs/dbraw/zinc/65/04/37/389650437.db2.gz YLRYDWFOLFMJRQ-GFCCVEGCSA-N 2 2 253.321 0.525 20 0 CCADLP CN(CC[NH+](C)C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179312551 389651972 /nfs/dbraw/zinc/65/19/72/389651972.db2.gz LVIGMGCKJARDDH-UHFFFAOYSA-N 3 2 299.463 0.215 20 0 CCADLP COCCn1cc(C[NH2+][C@H]2CC[NH2+]C2(C)C)cn1 ZINC000415048130 389654632 /nfs/dbraw/zinc/65/46/32/389654632.db2.gz WULJSIFYRUPQQY-LBPRGKRZSA-N 2 2 252.362 0.760 20 0 CCADLP Cc1nn2c(C[N@H+](C)C[C@H](O)C[NH3+])c(C(C)C)nc2s1 ZINC000415067702 389655476 /nfs/dbraw/zinc/65/54/76/389655476.db2.gz KYSCZHYOLZMWPU-SNVBAGLBSA-N 2 2 297.428 0.974 20 0 CCADLP Cc1nn2c(C[N@@H+](C)C[C@H](O)C[NH3+])c(C(C)C)nc2s1 ZINC000415067702 389655477 /nfs/dbraw/zinc/65/54/77/389655477.db2.gz KYSCZHYOLZMWPU-SNVBAGLBSA-N 2 2 297.428 0.974 20 0 CCADLP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1nccs1 ZINC000179423610 389655822 /nfs/dbraw/zinc/65/58/22/389655822.db2.gz DPZHZDSAQGBHEK-NSHDSACASA-N 2 2 282.413 0.958 20 0 CCADLP FC(F)(F)c1cc(C[NH2+]C[C@@H]2C[NH2+]CCO2)[nH]n1 ZINC000415097907 389658147 /nfs/dbraw/zinc/65/81/47/389658147.db2.gz UJCSDSTUJQAPDU-QMMMGPOBSA-N 2 2 264.251 0.507 20 0 CCADLP CC(C)(C)c1n[nH]cc1C[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415098112 389658365 /nfs/dbraw/zinc/65/83/65/389658365.db2.gz UWRRYDIHBWXNJZ-LLVKDONJSA-N 2 2 252.362 0.785 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CC1)[NH+]1CCOCC1 ZINC000426351216 389663905 /nfs/dbraw/zinc/66/39/05/389663905.db2.gz JYCCXEJGCBDXAW-GZBFAFLISA-N 2 2 295.427 0.839 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CC1)[NH+]1CCOCC1 ZINC000426351216 389663907 /nfs/dbraw/zinc/66/39/07/389663907.db2.gz JYCCXEJGCBDXAW-GZBFAFLISA-N 2 2 295.427 0.839 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(=O)[nH]n1 ZINC000428216492 389686774 /nfs/dbraw/zinc/68/67/74/389686774.db2.gz PQDMPTMJLOYBRU-NWDGAFQWSA-N 2 2 280.372 0.944 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000351855275 389699628 /nfs/dbraw/zinc/69/96/28/389699628.db2.gz SIJYZXAIFREHRK-GXFFZTMASA-N 2 2 265.401 0.960 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000351855275 389699631 /nfs/dbraw/zinc/69/96/31/389699631.db2.gz SIJYZXAIFREHRK-GXFFZTMASA-N 2 2 265.401 0.960 20 0 CCADLP C[NH2+][C@H]1CCCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000416832586 389774737 /nfs/dbraw/zinc/77/47/37/389774737.db2.gz UQLPLGAJMWLIBZ-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000352316822 389789050 /nfs/dbraw/zinc/78/90/50/389789050.db2.gz YCEUXOZREHQCGH-CFVMTHIKSA-N 2 2 293.411 0.308 20 0 CCADLP CC1(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C[NH2+]C1 ZINC000399226461 389790116 /nfs/dbraw/zinc/79/01/16/389790116.db2.gz YBXMAZBGIJCECI-UHFFFAOYSA-N 2 2 274.368 0.776 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCC[NH2+]C1CC1 ZINC000417023227 389790180 /nfs/dbraw/zinc/79/01/80/389790180.db2.gz LQRVPKDIPRHTJF-LBPRGKRZSA-N 2 2 284.404 0.148 20 0 CCADLP CC(C)[C@H](C(=O)NCC(C)(C)[NH+]1CCOCC1)[C@H](C)[NH3+] ZINC000399617163 389792687 /nfs/dbraw/zinc/79/26/87/389792687.db2.gz ZMBCHQFHSOQCAS-STQMWFEESA-N 2 2 285.432 0.833 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1C[C@]2(CCOC2)OC(C)(C)C1)C1CC1 ZINC000352341415 389792960 /nfs/dbraw/zinc/79/29/60/389792960.db2.gz GZGIVJOFRBEPIK-HOCLYGCPSA-N 2 2 298.427 0.711 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1C[C@]2(CCOC2)OC(C)(C)C1)C1CC1 ZINC000352341415 389792961 /nfs/dbraw/zinc/79/29/61/389792961.db2.gz GZGIVJOFRBEPIK-HOCLYGCPSA-N 2 2 298.427 0.711 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1)C1CC1 ZINC000352341415 389792962 /nfs/dbraw/zinc/79/29/62/389792962.db2.gz GZGIVJOFRBEPIK-HOCLYGCPSA-N 2 2 298.427 0.711 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1)C1CC1 ZINC000352341415 389792963 /nfs/dbraw/zinc/79/29/63/389792963.db2.gz GZGIVJOFRBEPIK-HOCLYGCPSA-N 2 2 298.427 0.711 20 0 CCADLP O=C(NCCCNc1cccc[nH+]1)NC[C@H]1C[NH2+]CCO1 ZINC000417076240 389793909 /nfs/dbraw/zinc/79/39/09/389793909.db2.gz KCZKUUIDCBAQMP-GFCCVEGCSA-N 2 2 293.371 0.171 20 0 CCADLP CO[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000376097217 389729209 /nfs/dbraw/zinc/72/92/09/389729209.db2.gz PHLIXGRKTFMPTQ-ZFWWWQNUSA-N 2 2 295.427 0.696 20 0 CCADLP CO[C@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000376097217 389729212 /nfs/dbraw/zinc/72/92/12/389729212.db2.gz PHLIXGRKTFMPTQ-ZFWWWQNUSA-N 2 2 295.427 0.696 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000376191026 389731466 /nfs/dbraw/zinc/73/14/66/389731466.db2.gz XCUXPFXFWVXGLC-KGLIPLIRSA-N 2 2 283.416 0.648 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000376191026 389731471 /nfs/dbraw/zinc/73/14/71/389731471.db2.gz XCUXPFXFWVXGLC-KGLIPLIRSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000376336737 389733381 /nfs/dbraw/zinc/73/33/81/389733381.db2.gz MTOXHTWESAPMPO-UONOGXRCSA-N 2 2 283.416 0.603 20 0 CCADLP [NH3+]C[C@@H](NC(=O)NCC[NH+]1CCOCC1)C1CCCCC1 ZINC000416431471 389741698 /nfs/dbraw/zinc/74/16/98/389741698.db2.gz HSLSTHKTVMHYQE-CQSZACIVSA-N 2 2 298.431 0.525 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000352074008 389746389 /nfs/dbraw/zinc/74/63/89/389746389.db2.gz KMFJGIPPWNITEM-OLZOCXBDSA-N 2 2 291.461 0.682 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000352074008 389746391 /nfs/dbraw/zinc/74/63/91/389746391.db2.gz KMFJGIPPWNITEM-OLZOCXBDSA-N 2 2 291.461 0.682 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430551376 389807185 /nfs/dbraw/zinc/80/71/85/389807185.db2.gz HUTNBVPJOAFVIY-CYBMUJFWSA-N 2 2 270.377 0.185 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NCc2cccnc2)C1 ZINC000430554870 389807717 /nfs/dbraw/zinc/80/77/17/389807717.db2.gz OECXLALKSSEPMT-JSGCOSHPSA-N 2 2 276.384 0.757 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NCc2cccnc2)C1 ZINC000430554870 389807720 /nfs/dbraw/zinc/80/77/20/389807720.db2.gz OECXLALKSSEPMT-JSGCOSHPSA-N 2 2 276.384 0.757 20 0 CCADLP CCOCCNC(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430579251 389809260 /nfs/dbraw/zinc/80/92/60/389809260.db2.gz BYGBAYXCESYSIH-GFCCVEGCSA-N 2 2 259.394 0.444 20 0 CCADLP CCOCCNC(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430579251 389809261 /nfs/dbraw/zinc/80/92/61/389809261.db2.gz BYGBAYXCESYSIH-GFCCVEGCSA-N 2 2 259.394 0.444 20 0 CCADLP [NH3+]C[C@H]1CCC[N@@H+]1CCC(=O)NC(=O)NCC(F)(F)F ZINC000430580745 389809423 /nfs/dbraw/zinc/80/94/23/389809423.db2.gz FPCRHSONOYFNDC-MRVPVSSYSA-N 2 2 296.293 0.188 20 0 CCADLP [NH3+]C[C@H]1CCC[N@H+]1CCC(=O)NC(=O)NCC(F)(F)F ZINC000430580745 389809424 /nfs/dbraw/zinc/80/94/24/389809424.db2.gz FPCRHSONOYFNDC-MRVPVSSYSA-N 2 2 296.293 0.188 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)C[C@H](C)CS(C)(=O)=O ZINC000430584992 389809663 /nfs/dbraw/zinc/80/96/63/389809663.db2.gz QVPDOEDTKSVDCG-RYUDHWBXSA-N 2 2 264.435 0.972 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)C[C@H](C)CS(C)(=O)=O ZINC000430584992 389809667 /nfs/dbraw/zinc/80/96/67/389809667.db2.gz QVPDOEDTKSVDCG-RYUDHWBXSA-N 2 2 264.435 0.972 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)CC1 ZINC000430605693 389811894 /nfs/dbraw/zinc/81/18/94/389811894.db2.gz RQDFBICKGRCTTD-CYBMUJFWSA-N 3 2 282.432 0.258 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)CC1 ZINC000430605693 389811896 /nfs/dbraw/zinc/81/18/96/389811896.db2.gz RQDFBICKGRCTTD-CYBMUJFWSA-N 3 2 282.432 0.258 20 0 CCADLP CCCC[C@H](C[NH3+])NC(=O)NCc1[nH+]ccn1C ZINC000417485014 389820069 /nfs/dbraw/zinc/82/00/69/389820069.db2.gz VSDKRAJPFDNJRH-SNVBAGLBSA-N 2 2 253.350 0.737 20 0 CCADLP C[C@@H](NC(=O)N[C@H]1CC[NH2+]C[C@H]1C)[C@@H](C)[NH+]1CCOCC1 ZINC000417515864 389823969 /nfs/dbraw/zinc/82/39/69/389823969.db2.gz FDUITYUUWCJNON-SYQHCUMBSA-N 2 2 298.431 0.393 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000417512571 389824092 /nfs/dbraw/zinc/82/40/92/389824092.db2.gz VNVDHPOHTJPIMN-GFCCVEGCSA-N 2 2 284.404 0.134 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000417512571 389824095 /nfs/dbraw/zinc/82/40/95/389824095.db2.gz VNVDHPOHTJPIMN-GFCCVEGCSA-N 2 2 284.404 0.134 20 0 CCADLP C[C@@H]1CN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC[C@@H]1[NH3+] ZINC000417511495 389824242 /nfs/dbraw/zinc/82/42/42/389824242.db2.gz UICYMEYRKSVPBZ-OLZOCXBDSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H]1CN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC[C@@H]1[NH3+] ZINC000417511495 389824244 /nfs/dbraw/zinc/82/42/44/389824244.db2.gz UICYMEYRKSVPBZ-OLZOCXBDSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC1(C)CC[NH2+]CC1 ZINC000417518120 389825112 /nfs/dbraw/zinc/82/51/12/389825112.db2.gz RTERGOYWTBLULG-GFCCVEGCSA-N 2 2 284.404 0.148 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC1(C)CC[NH2+]CC1 ZINC000417518120 389825117 /nfs/dbraw/zinc/82/51/17/389825117.db2.gz RTERGOYWTBLULG-GFCCVEGCSA-N 2 2 284.404 0.148 20 0 CCADLP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000417529253 389826869 /nfs/dbraw/zinc/82/68/69/389826869.db2.gz QNAHEVVTIIXCTM-XQQFMLRXSA-N 2 2 284.404 0.086 20 0 CCADLP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000417529253 389826870 /nfs/dbraw/zinc/82/68/70/389826870.db2.gz QNAHEVVTIIXCTM-XQQFMLRXSA-N 2 2 284.404 0.086 20 0 CCADLP C[NH2+][C@H]1CCCN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000417533345 389828151 /nfs/dbraw/zinc/82/81/51/389828151.db2.gz XJHFHVFHHVYUII-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP C[NH2+][C@H]1CCCN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC000417533345 389828152 /nfs/dbraw/zinc/82/81/52/389828152.db2.gz XJHFHVFHHVYUII-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000430844249 389829136 /nfs/dbraw/zinc/82/91/36/389829136.db2.gz JXGAVEZQHFVBOQ-KBPBESRZSA-N 2 2 283.416 0.733 20 0 CCADLP COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)c(OC)c1 ZINC000430966999 389841775 /nfs/dbraw/zinc/84/17/75/389841775.db2.gz QVGYVCAYKACYLH-NSHDSACASA-N 2 2 293.367 0.923 20 0 CCADLP COc1ccc(NC(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)c(OC)c1 ZINC000430966999 389841778 /nfs/dbraw/zinc/84/17/78/389841778.db2.gz QVGYVCAYKACYLH-NSHDSACASA-N 2 2 293.367 0.923 20 0 CCADLP CCn1c[nH+]cc1CN1CCO[C@@H](C[NH+](C)C)C1 ZINC000417705563 389843781 /nfs/dbraw/zinc/84/37/81/389843781.db2.gz UQKWKRJUPRZDEN-ZDUSSCGKSA-N 2 2 252.362 0.665 20 0 CCADLP O=C([C@@H]1CCCC[NH2+]1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000431004929 389844391 /nfs/dbraw/zinc/84/43/91/389844391.db2.gz SZISALYAFXRFAG-LBPRGKRZSA-N 2 2 277.372 0.196 20 0 CCADLP Cn1cc(C[NH+]2CCN(C(=O)[C@@H]3CC[C@@H]([NH3+])C3)CC2)cn1 ZINC000431013579 389845282 /nfs/dbraw/zinc/84/52/82/389845282.db2.gz YTXMCKWMWFCRSG-ZIAGYGMSSA-N 2 2 291.399 0.192 20 0 CCADLP NC(=O)NC(=O)CCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431163234 389851471 /nfs/dbraw/zinc/85/14/71/389851471.db2.gz WUSBCKNRKQMFMJ-LBPRGKRZSA-N 2 2 292.339 0.510 20 0 CCADLP NC(=O)NC(=O)CCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431163234 389851474 /nfs/dbraw/zinc/85/14/74/389851474.db2.gz WUSBCKNRKQMFMJ-LBPRGKRZSA-N 2 2 292.339 0.510 20 0 CCADLP C[C@H]([NH3+])CN1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000442659527 389853909 /nfs/dbraw/zinc/85/39/09/389853909.db2.gz KXBFFTVRZMKZPE-STQMWFEESA-N 2 2 282.432 0.399 20 0 CCADLP C[C@H]([NH3+])C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000442667501 389854438 /nfs/dbraw/zinc/85/44/38/389854438.db2.gz XROUSUOKEWRWIE-ZDUSSCGKSA-N 3 2 255.406 0.910 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)NCC[N@H+](C)C1CC1 ZINC000431279986 389854865 /nfs/dbraw/zinc/85/48/65/389854865.db2.gz HUUZRCJOZKRXPO-UHFFFAOYSA-N 2 2 278.356 0.984 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)NCC[N@@H+](C)C1CC1 ZINC000431279986 389854867 /nfs/dbraw/zinc/85/48/67/389854867.db2.gz HUUZRCJOZKRXPO-UHFFFAOYSA-N 2 2 278.356 0.984 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442764833 389862292 /nfs/dbraw/zinc/86/22/92/389862292.db2.gz IFOZSCUHGDNVBN-RYUDHWBXSA-N 2 2 262.419 0.869 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442764833 389862293 /nfs/dbraw/zinc/86/22/93/389862293.db2.gz IFOZSCUHGDNVBN-RYUDHWBXSA-N 2 2 262.419 0.869 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+]3CCC3)[C@@H](F)C2)O1 ZINC000527557885 285349982 /nfs/dbraw/zinc/34/99/82/285349982.db2.gz IPLBQYDHEAONNR-XJFOESAGSA-N 2 2 299.390 0.350 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+]3CCC3)[C@@H](F)C2)O1 ZINC000527557885 285349987 /nfs/dbraw/zinc/34/99/87/285349987.db2.gz IPLBQYDHEAONNR-XJFOESAGSA-N 2 2 299.390 0.350 20 0 CCADLP COCCN1CC[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000432364135 389879165 /nfs/dbraw/zinc/87/91/65/389879165.db2.gz ZTAQRSSQFUCELH-JKSUJKDBSA-N 2 2 299.459 0.798 20 0 CCADLP COCCN1CC[C@@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000432364135 389879167 /nfs/dbraw/zinc/87/91/67/389879167.db2.gz ZTAQRSSQFUCELH-JKSUJKDBSA-N 2 2 299.459 0.798 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)c[nH+]1 ZINC000444182040 389895280 /nfs/dbraw/zinc/89/52/80/389895280.db2.gz KZYAZGAUMVWGCJ-SWLSCSKDSA-N 2 2 274.368 0.763 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](O)C23CCCC3)CC1 ZINC000433035831 389897078 /nfs/dbraw/zinc/89/70/78/389897078.db2.gz ZVNHICMHNZVGCH-ZDUSSCGKSA-N 2 2 281.400 0.140 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](O)C23CCCC3)CC1 ZINC000433035831 389897080 /nfs/dbraw/zinc/89/70/80/389897080.db2.gz ZVNHICMHNZVGCH-ZDUSSCGKSA-N 2 2 281.400 0.140 20 0 CCADLP C[C@@H]1CN(C(=O)c2coc(C[NH3+])c2)C[C@@H]1[NH+]1CCOCC1 ZINC000444270670 389898945 /nfs/dbraw/zinc/89/89/45/389898945.db2.gz VSNNCFIFHXHJGL-RISCZKNCSA-N 2 2 293.367 0.531 20 0 CCADLP CC(C)[C@@H](C[NH3+])C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000433168152 389903161 /nfs/dbraw/zinc/90/31/61/389903161.db2.gz LMQKTPQBCNURIG-CQSZACIVSA-N 2 2 293.415 0.295 20 0 CCADLP CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH+]1CCOCC1)[NH+](C)C ZINC000447655689 389961423 /nfs/dbraw/zinc/96/14/23/389961423.db2.gz DYNGFCAZBKALSB-KGLIPLIRSA-N 2 2 285.432 0.752 20 0 CCADLP C[C@H](CCC[NH3+])Nc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000420263293 389975198 /nfs/dbraw/zinc/97/51/98/389975198.db2.gz NRFFKVOSCWERRD-ZJUUUORDSA-N 2 2 253.350 0.809 20 0 CCADLP C[C@H](CCC[NH3+])Nc1cc(NC[C@H](C)O)nc[nH+]1 ZINC000420263293 389975200 /nfs/dbraw/zinc/97/52/00/389975200.db2.gz NRFFKVOSCWERRD-ZJUUUORDSA-N 2 2 253.350 0.809 20 0 CCADLP CC[N@H+](CC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)C1CC1 ZINC000447657797 389961925 /nfs/dbraw/zinc/96/19/25/389961925.db2.gz WGFYCBCWPFQBRA-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP CC[N@@H+](CC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)C1CC1 ZINC000447657797 389961928 /nfs/dbraw/zinc/96/19/28/389961928.db2.gz WGFYCBCWPFQBRA-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP C[NH2+]CCC[N@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000435886383 389965331 /nfs/dbraw/zinc/96/53/31/389965331.db2.gz WRIWVZDBNWUGQO-VIFPVBQESA-N 2 2 267.295 0.691 20 0 CCADLP C[NH2+]CCC[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000435886383 389965333 /nfs/dbraw/zinc/96/53/33/389965333.db2.gz WRIWVZDBNWUGQO-VIFPVBQESA-N 2 2 267.295 0.691 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000433479912 389915448 /nfs/dbraw/zinc/91/54/48/389915448.db2.gz JPPNCXCEDJIULR-CABZTGNLSA-N 2 2 258.366 0.184 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCC[N@H+](C)C1CC1 ZINC000434172059 389925952 /nfs/dbraw/zinc/92/59/52/389925952.db2.gz GXGDGHLNTTXXHW-CYBMUJFWSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCC[N@@H+](C)C1CC1 ZINC000434172059 389925954 /nfs/dbraw/zinc/92/59/54/389925954.db2.gz GXGDGHLNTTXXHW-CYBMUJFWSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000420278189 389976801 /nfs/dbraw/zinc/97/68/01/389976801.db2.gz UYDWTPAUJRRCFM-ZIAGYGMSSA-N 3 2 282.432 0.352 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000420278189 389976802 /nfs/dbraw/zinc/97/68/02/389976802.db2.gz UYDWTPAUJRRCFM-ZIAGYGMSSA-N 3 2 282.432 0.352 20 0 CCADLP C[C@H]1CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H]1C[NH3+] ZINC000420283593 389978047 /nfs/dbraw/zinc/97/80/47/389978047.db2.gz CGBBVCYMTWOOTR-UONOGXRCSA-N 3 2 282.432 0.210 20 0 CCADLP C[C@H]1CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H]1C[NH3+] ZINC000420283593 389978050 /nfs/dbraw/zinc/97/80/50/389978050.db2.gz CGBBVCYMTWOOTR-UONOGXRCSA-N 3 2 282.432 0.210 20 0 CCADLP CN(CC[NH3+])c1cc(N2CCSCC2)[nH+]cn1 ZINC000420286696 389978264 /nfs/dbraw/zinc/97/82/64/389978264.db2.gz QTLXUTFSWIFFHC-UHFFFAOYSA-N 2 2 253.375 0.425 20 0 CCADLP COC(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000420292214 389979210 /nfs/dbraw/zinc/97/92/10/389979210.db2.gz LOSBBUZBPVHGHH-LLVKDONJSA-N 2 2 291.351 0.692 20 0 CCADLP COC(=O)c1ccc(NC(=O)C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000420292214 389979214 /nfs/dbraw/zinc/97/92/14/389979214.db2.gz LOSBBUZBPVHGHH-LLVKDONJSA-N 2 2 291.351 0.692 20 0 CCADLP CCC[C@@H]1CNCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000420303976 389980670 /nfs/dbraw/zinc/98/06/70/389980670.db2.gz IEQSCNMCBFEMNV-CQSZACIVSA-N 2 2 282.432 0.224 20 0 CCADLP CCC[C@@H]1CNCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000420303976 389980671 /nfs/dbraw/zinc/98/06/71/389980671.db2.gz IEQSCNMCBFEMNV-CQSZACIVSA-N 2 2 282.432 0.224 20 0 CCADLP COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)c1C ZINC000420303341 389980799 /nfs/dbraw/zinc/98/07/99/389980799.db2.gz XESAJZSANBWKSO-LLVKDONJSA-N 2 2 293.367 0.881 20 0 CCADLP COC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CC[C@H](C[NH3+])C2)c1C ZINC000420303341 389980802 /nfs/dbraw/zinc/98/08/02/389980802.db2.gz XESAJZSANBWKSO-LLVKDONJSA-N 2 2 293.367 0.881 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420305792 389981015 /nfs/dbraw/zinc/98/10/15/389981015.db2.gz KMUPZUSZLOOAHX-CABCVRRESA-N 3 2 294.443 0.272 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420305792 389981017 /nfs/dbraw/zinc/98/10/17/389981017.db2.gz KMUPZUSZLOOAHX-CABCVRRESA-N 3 2 294.443 0.272 20 0 CCADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCO[C@H](CO)C2)cc1 ZINC000420308974 389981270 /nfs/dbraw/zinc/98/12/70/389981270.db2.gz SRAXYNNLNKIIRL-HIFRSBDPSA-N 2 2 280.368 0.431 20 0 CCADLP COc1ccc([C@H](C[NH3+])C[N@H+]2CCO[C@H](CO)C2)cc1 ZINC000420308974 389981273 /nfs/dbraw/zinc/98/12/73/389981273.db2.gz SRAXYNNLNKIIRL-HIFRSBDPSA-N 2 2 280.368 0.431 20 0 CCADLP C[C@H](c1nnnn1C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000420312286 389982100 /nfs/dbraw/zinc/98/21/00/389982100.db2.gz IGUKKDYDGUDWON-BNOWGMLFSA-N 2 2 286.383 0.945 20 0 CCADLP C[C@H](c1nnnn1C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000420312286 389982102 /nfs/dbraw/zinc/98/21/02/389982102.db2.gz IGUKKDYDGUDWON-BNOWGMLFSA-N 2 2 286.383 0.945 20 0 CCADLP CCS(=O)(=O)NCCC[N@@H+]1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000420337220 389985603 /nfs/dbraw/zinc/98/56/03/389985603.db2.gz MZGAMQBPMOJEFK-NWDGAFQWSA-N 2 2 277.434 0.375 20 0 CCADLP CCS(=O)(=O)NCCC[N@H+]1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000420337220 389985606 /nfs/dbraw/zinc/98/56/06/389985606.db2.gz MZGAMQBPMOJEFK-NWDGAFQWSA-N 2 2 277.434 0.375 20 0 CCADLP C[N@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)C1CC([NH3+])C1 ZINC000420340823 389986191 /nfs/dbraw/zinc/98/61/91/389986191.db2.gz UPETVWNGJXLVCG-NWINJMCUSA-N 2 2 281.400 0.578 20 0 CCADLP C[N@@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)C1CC([NH3+])C1 ZINC000420340823 389986193 /nfs/dbraw/zinc/98/61/93/389986193.db2.gz UPETVWNGJXLVCG-NWINJMCUSA-N 2 2 281.400 0.578 20 0 CCADLP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420350801 389988371 /nfs/dbraw/zinc/98/83/71/389988371.db2.gz IDKMCKQJQCQVJC-GXTWGEPZSA-N 2 2 279.384 0.285 20 0 CCADLP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420350801 389988373 /nfs/dbraw/zinc/98/83/73/389988373.db2.gz IDKMCKQJQCQVJC-GXTWGEPZSA-N 2 2 279.384 0.285 20 0 CCADLP Cc1nc(N2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)cc[nH+]1 ZINC000420357539 389990830 /nfs/dbraw/zinc/99/08/30/389990830.db2.gz ICXFDRNKCUJZGZ-AWEZNQCLSA-N 3 2 275.400 0.907 20 0 CCADLP CCCCOCCNC(=O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420368583 389993470 /nfs/dbraw/zinc/99/34/70/389993470.db2.gz NRHDULOUIOAXPM-KCQAQPDRSA-N 2 2 285.432 0.895 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)NCc1cccnc1 ZINC000420378864 389994696 /nfs/dbraw/zinc/99/46/96/389994696.db2.gz XHVXBNKDBWVJET-XUJVJEKNSA-N 2 2 276.384 0.674 20 0 CCADLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000420383755 389995335 /nfs/dbraw/zinc/99/53/35/389995335.db2.gz ZZAQWNXCCKYINE-QWRGUYRKSA-N 2 2 285.413 0.935 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NCC2CCC2)C[C@H]1C[NH3+] ZINC000420416262 389999241 /nfs/dbraw/zinc/99/92/41/389999241.db2.gz VQIKUHZKAJNDIY-DGCLKSJQSA-N 2 2 253.390 0.819 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NCC2CCC2)C[C@H]1C[NH3+] ZINC000420416262 389999242 /nfs/dbraw/zinc/99/92/42/389999242.db2.gz VQIKUHZKAJNDIY-DGCLKSJQSA-N 2 2 253.390 0.819 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N(C)CC(F)(F)F)C[C@H]1C[NH3+] ZINC000420417285 389999824 /nfs/dbraw/zinc/99/98/24/389999824.db2.gz WGUNSNLPKLDMTK-VHSXEESVSA-N 2 2 281.322 0.924 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N(C)CC(F)(F)F)C[C@H]1C[NH3+] ZINC000420417285 389999826 /nfs/dbraw/zinc/99/98/26/389999826.db2.gz WGUNSNLPKLDMTK-VHSXEESVSA-N 2 2 281.322 0.924 20 0 CCADLP CC[C@H](Cn1cncn1)[NH2+]C[C@@H]1CCC[N@@H+]1CCOC ZINC000438834382 390010642 /nfs/dbraw/zinc/01/06/42/390010642.db2.gz SEEPVPNASWDGDP-KGLIPLIRSA-N 2 2 281.404 0.757 20 0 CCADLP CC[C@H](Cn1cncn1)[NH2+]C[C@@H]1CCC[N@H+]1CCOC ZINC000438834382 390010643 /nfs/dbraw/zinc/01/06/43/390010643.db2.gz SEEPVPNASWDGDP-KGLIPLIRSA-N 2 2 281.404 0.757 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CO1 ZINC000439284637 390018966 /nfs/dbraw/zinc/01/89/66/390018966.db2.gz ZLVAYEWGYYAFNK-ZIAGYGMSSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CO1 ZINC000439284637 390018969 /nfs/dbraw/zinc/01/89/69/390018969.db2.gz ZLVAYEWGYYAFNK-ZIAGYGMSSA-N 2 2 297.443 0.896 20 0 CCADLP CC1CC[NH+](CC(=O)N2CC[N@H+](CCO)C[C@H]2C)CC1 ZINC000457094325 390028147 /nfs/dbraw/zinc/02/81/47/390028147.db2.gz HGHSNQMOVWFYLG-CQSZACIVSA-N 2 2 283.416 0.243 20 0 CCADLP CC1CC[NH+](CC(=O)N2CC[N@@H+](CCO)C[C@H]2C)CC1 ZINC000457094325 390028150 /nfs/dbraw/zinc/02/81/50/390028150.db2.gz HGHSNQMOVWFYLG-CQSZACIVSA-N 2 2 283.416 0.243 20 0 CCADLP CCC[N@H+](C)C[C@H]1CC[NH+](CCN2C(=O)N[C@@H](C)C2=O)C1 ZINC000459347720 390073035 /nfs/dbraw/zinc/07/30/35/390073035.db2.gz CVRBCOMQXXYJFM-QWHCGFSZSA-N 2 2 296.415 0.590 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CCN2C(=O)N[C@@H](C)C2=O)C1 ZINC000459347720 390073036 /nfs/dbraw/zinc/07/30/36/390073036.db2.gz CVRBCOMQXXYJFM-QWHCGFSZSA-N 2 2 296.415 0.590 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@H+](CCN2C(=O)N[C@@H](C)C2=O)C1 ZINC000459347720 390073037 /nfs/dbraw/zinc/07/30/37/390073037.db2.gz CVRBCOMQXXYJFM-QWHCGFSZSA-N 2 2 296.415 0.590 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CCN2C(=O)N[C@@H](C)C2=O)C1 ZINC000459347720 390073038 /nfs/dbraw/zinc/07/30/38/390073038.db2.gz CVRBCOMQXXYJFM-QWHCGFSZSA-N 2 2 296.415 0.590 20 0 CCADLP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[NH+](CCO)CC1 ZINC000478717898 390080905 /nfs/dbraw/zinc/08/09/05/390080905.db2.gz UOMLVRYYWUIWDU-CYBMUJFWSA-N 2 2 271.405 0.290 20 0 CCADLP C[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)C[C@H](C)[N@H+]1CCO ZINC000493115907 390118958 /nfs/dbraw/zinc/11/89/58/390118958.db2.gz JAJUVMOHGPESFE-ROUHBEFFSA-N 2 2 278.356 0.336 20 0 CCADLP C[C@@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)C[C@H](C)[N@@H+]1CCO ZINC000493115907 390118959 /nfs/dbraw/zinc/11/89/59/390118959.db2.gz JAJUVMOHGPESFE-ROUHBEFFSA-N 2 2 278.356 0.336 20 0 CCADLP O=C(C1CC1)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000538348771 390191009 /nfs/dbraw/zinc/19/10/09/390191009.db2.gz FFKDDECJOOBJKN-UHFFFAOYSA-N 2 2 262.357 0.827 20 0 CCADLP O[C@H](C[NH2+]Cc1cncc(F)c1)C[NH+]1CCCC1 ZINC000494563192 390181524 /nfs/dbraw/zinc/18/15/24/390181524.db2.gz SLHDKVMCNWPPBK-CYBMUJFWSA-N 2 2 253.321 0.767 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000535316845 390142976 /nfs/dbraw/zinc/14/29/76/390142976.db2.gz ZIFNTHOTASXFFY-SNVBAGLBSA-N 2 2 291.355 0.198 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000535316845 390142978 /nfs/dbraw/zinc/14/29/78/390142978.db2.gz ZIFNTHOTASXFFY-SNVBAGLBSA-N 2 2 291.355 0.198 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000579139415 390147135 /nfs/dbraw/zinc/14/71/35/390147135.db2.gz GRWGLFUCQCVZLU-LBPRGKRZSA-N 2 2 282.388 0.673 20 0 CCADLP COCC[N@@H+](C)CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000579139415 390147137 /nfs/dbraw/zinc/14/71/37/390147137.db2.gz GRWGLFUCQCVZLU-LBPRGKRZSA-N 2 2 282.388 0.673 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000579139415 390147138 /nfs/dbraw/zinc/14/71/38/390147138.db2.gz GRWGLFUCQCVZLU-LBPRGKRZSA-N 2 2 282.388 0.673 20 0 CCADLP COCC[N@@H+](C)CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000579139415 390147139 /nfs/dbraw/zinc/14/71/39/390147139.db2.gz GRWGLFUCQCVZLU-LBPRGKRZSA-N 2 2 282.388 0.673 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000535721516 390148847 /nfs/dbraw/zinc/14/88/47/390148847.db2.gz GAIHBFYCFFYLMB-NWDGAFQWSA-N 2 2 282.413 0.825 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000535721516 390148849 /nfs/dbraw/zinc/14/88/49/390148849.db2.gz GAIHBFYCFFYLMB-NWDGAFQWSA-N 2 2 282.413 0.825 20 0 CCADLP CNC(=O)NC(=O)CC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536068146 390157215 /nfs/dbraw/zinc/15/72/15/390157215.db2.gz SXZQGFWQCNXWOZ-SNVBAGLBSA-N 2 2 279.344 0.055 20 0 CCADLP CNC(=O)NC(=O)CC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536068146 390157217 /nfs/dbraw/zinc/15/72/17/390157217.db2.gz SXZQGFWQCNXWOZ-SNVBAGLBSA-N 2 2 279.344 0.055 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)NC[C@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000579351354 390163930 /nfs/dbraw/zinc/16/39/30/390163930.db2.gz SUXAXFOILOOHRK-QWHCGFSZSA-N 2 2 299.415 0.376 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)NC[C@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000579351354 390163931 /nfs/dbraw/zinc/16/39/31/390163931.db2.gz SUXAXFOILOOHRK-QWHCGFSZSA-N 2 2 299.415 0.376 20 0 CCADLP CNS(=O)(=O)[C@H]1CCC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000536573484 390165993 /nfs/dbraw/zinc/16/59/93/390165993.db2.gz PWGHWOZYNMTCBV-LBPRGKRZSA-N 2 2 286.401 0.205 20 0 CCADLP CNS(=O)(=O)[C@H]1CCC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000536573484 390165997 /nfs/dbraw/zinc/16/59/97/390165997.db2.gz PWGHWOZYNMTCBV-LBPRGKRZSA-N 2 2 286.401 0.205 20 0 CCADLP COCCC[N@H+](C)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647785742 390171479 /nfs/dbraw/zinc/17/14/79/390171479.db2.gz DVCLQVBBNRUZFK-RBSFLKMASA-N 3 2 269.433 0.932 20 0 CCADLP COCCC[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647785742 390171481 /nfs/dbraw/zinc/17/14/81/390171481.db2.gz DVCLQVBBNRUZFK-RBSFLKMASA-N 3 2 269.433 0.932 20 0 CCADLP Cn1cc([C@H](CO)[NH2+]CC[C@H]2CCCC[N@@H+]2C)cn1 ZINC000494809910 390202230 /nfs/dbraw/zinc/20/22/30/390202230.db2.gz PYQPRMUJEATUKW-KGLIPLIRSA-N 2 2 266.389 0.918 20 0 CCADLP Cn1cc([C@H](CO)[NH2+]CC[C@H]2CCCC[N@H+]2C)cn1 ZINC000494809910 390202234 /nfs/dbraw/zinc/20/22/34/390202234.db2.gz PYQPRMUJEATUKW-KGLIPLIRSA-N 2 2 266.389 0.918 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC000647925820 390219351 /nfs/dbraw/zinc/21/93/51/390219351.db2.gz YTUISGGHZYYTPE-LBPRGKRZSA-N 2 2 271.405 0.731 20 0 CCADLP C[C@@H]1CCC[N@H+](CCNc2nc[nH+]c3c2OCCN3)C1 ZINC000647856991 390194288 /nfs/dbraw/zinc/19/42/88/390194288.db2.gz ZROSBFIHYPHYJW-LLVKDONJSA-N 2 2 277.372 0.537 20 0 CCADLP C[C@@H]1CCC[N@@H+](CCNc2nc[nH+]c3c2OCCN3)C1 ZINC000647856991 390194289 /nfs/dbraw/zinc/19/42/89/390194289.db2.gz ZROSBFIHYPHYJW-LLVKDONJSA-N 2 2 277.372 0.537 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCN(C(=O)C2CC2)CC1 ZINC000647972367 390236328 /nfs/dbraw/zinc/23/63/28/390236328.db2.gz ZRMHRIGFMHFAGO-HNNXBMFYSA-N 2 2 297.443 0.632 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCN(C(=O)C2CC2)CC1 ZINC000647972367 390236330 /nfs/dbraw/zinc/23/63/30/390236330.db2.gz ZRMHRIGFMHFAGO-HNNXBMFYSA-N 2 2 297.443 0.632 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000647972367 390236334 /nfs/dbraw/zinc/23/63/34/390236334.db2.gz ZRMHRIGFMHFAGO-HNNXBMFYSA-N 2 2 297.443 0.632 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000647972367 390236336 /nfs/dbraw/zinc/23/63/36/390236336.db2.gz ZRMHRIGFMHFAGO-HNNXBMFYSA-N 2 2 297.443 0.632 20 0 CCADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@@H]1CCNC1=O ZINC000541536011 390241567 /nfs/dbraw/zinc/24/15/67/390241567.db2.gz RQDDPCUYDAOIGK-CQSZACIVSA-N 2 2 285.351 0.896 20 0 CCADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@@H]1CCNC1=O ZINC000541536011 390241570 /nfs/dbraw/zinc/24/15/70/390241570.db2.gz RQDDPCUYDAOIGK-CQSZACIVSA-N 2 2 285.351 0.896 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC2(C1)CCCC2 ZINC000583574697 390294408 /nfs/dbraw/zinc/29/44/08/390294408.db2.gz HBLZRBAREDXXEW-ZDUSSCGKSA-N 2 2 256.390 0.802 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC2(C1)CCCC2 ZINC000583574697 390294409 /nfs/dbraw/zinc/29/44/09/390294409.db2.gz HBLZRBAREDXXEW-ZDUSSCGKSA-N 2 2 256.390 0.802 20 0 CCADLP C[N@@H+]1CCN(C(=O)Nc2ccc3c(c2)OCO3)[C@H](C[NH3+])C1 ZINC000580408856 390245110 /nfs/dbraw/zinc/24/51/10/390245110.db2.gz AERJVEXMLTXGRJ-LLVKDONJSA-N 2 2 292.339 0.522 20 0 CCADLP C[N@H+]1CCN(C(=O)Nc2ccc3c(c2)OCO3)[C@H](C[NH3+])C1 ZINC000580408856 390245114 /nfs/dbraw/zinc/24/51/14/390245114.db2.gz AERJVEXMLTXGRJ-LLVKDONJSA-N 2 2 292.339 0.522 20 0 CCADLP CN1C[C@@H](C[NH2+]C(C)(C)C[NH+]2CCCC2)OC1=O ZINC000495870200 390258697 /nfs/dbraw/zinc/25/86/97/390258697.db2.gz UAANYHJKGITPET-LLVKDONJSA-N 2 2 255.362 0.901 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3cccc(F)c3F)CCN2C1=O ZINC000582073769 390258723 /nfs/dbraw/zinc/25/87/23/390258723.db2.gz PDJURTPLAWNNBS-JQWIXIFHSA-N 2 2 281.306 0.709 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3cccc(F)c3F)CCN2C1=O ZINC000582073769 390258725 /nfs/dbraw/zinc/25/87/25/390258725.db2.gz PDJURTPLAWNNBS-JQWIXIFHSA-N 2 2 281.306 0.709 20 0 CCADLP Cc1cccc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000582230478 390270922 /nfs/dbraw/zinc/27/09/22/390270922.db2.gz URQRJFVVDNUGIV-CQSZACIVSA-N 2 2 276.384 0.779 20 0 CCADLP Cc1cccc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000582230478 390270923 /nfs/dbraw/zinc/27/09/23/390270923.db2.gz URQRJFVVDNUGIV-CQSZACIVSA-N 2 2 276.384 0.779 20 0 CCADLP C[NH2+]C[C@](C)(O)C[NH+]1CCC(c2nc(C)no2)CC1 ZINC000582245990 390274644 /nfs/dbraw/zinc/27/46/44/390274644.db2.gz HHCJAYLYISCBHT-ZDUSSCGKSA-N 2 2 268.361 0.528 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCCCn1cc[nH+]c1 ZINC000543094313 390278189 /nfs/dbraw/zinc/27/81/89/390278189.db2.gz GPSONWLKZZVSNE-AWEZNQCLSA-N 2 2 294.399 0.748 20 0 CCADLP C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000543085650 390278199 /nfs/dbraw/zinc/27/81/99/390278199.db2.gz SCNBEUWALCNAQD-XQQFMLRXSA-N 2 2 292.383 0.678 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@H](CO)Cc1cccnc1)C1CC1 ZINC000583322568 390283065 /nfs/dbraw/zinc/28/30/65/390283065.db2.gz ORFURIFQTVWPKN-ZFWWWQNUSA-N 2 2 279.384 0.030 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H](CO)Cc1cccnc1)C1CC1 ZINC000583322568 390283067 /nfs/dbraw/zinc/28/30/67/390283067.db2.gz ORFURIFQTVWPKN-ZFWWWQNUSA-N 2 2 279.384 0.030 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN2CCOC[C@H]2C1 ZINC000543558638 390284851 /nfs/dbraw/zinc/28/48/51/390284851.db2.gz XZXDLKZONIEWOH-HUUCEWRRSA-N 2 2 267.417 0.877 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN2CCOC[C@H]2C1 ZINC000543558638 390284856 /nfs/dbraw/zinc/28/48/56/390284856.db2.gz XZXDLKZONIEWOH-HUUCEWRRSA-N 2 2 267.417 0.877 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000543558638 390284860 /nfs/dbraw/zinc/28/48/60/390284860.db2.gz XZXDLKZONIEWOH-HUUCEWRRSA-N 2 2 267.417 0.877 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCN2CCOC[C@H]2C1 ZINC000543558638 390284862 /nfs/dbraw/zinc/28/48/62/390284862.db2.gz XZXDLKZONIEWOH-HUUCEWRRSA-N 2 2 267.417 0.877 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CCN1CC[NH+]2CCOC[C@H]2C1 ZINC000543558638 390284866 /nfs/dbraw/zinc/28/48/66/390284866.db2.gz XZXDLKZONIEWOH-HUUCEWRRSA-N 2 2 267.417 0.877 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CCN1CC[NH+]2CCOC[C@H]2C1 ZINC000543558638 390284869 /nfs/dbraw/zinc/28/48/69/390284869.db2.gz XZXDLKZONIEWOH-HUUCEWRRSA-N 2 2 267.417 0.877 20 0 CCADLP C[NH+]1CCCC[C@@H]1CCN1CC[N@@H+]2CCOC[C@H]2C1 ZINC000543558638 390284872 /nfs/dbraw/zinc/28/48/72/390284872.db2.gz XZXDLKZONIEWOH-HUUCEWRRSA-N 2 2 267.417 0.877 20 0 CCADLP C[NH+]1CCCC[C@@H]1CCN1CC[N@H+]2CCOC[C@H]2C1 ZINC000543558638 390284876 /nfs/dbraw/zinc/28/48/76/390284876.db2.gz XZXDLKZONIEWOH-HUUCEWRRSA-N 2 2 267.417 0.877 20 0 CCADLP CCOC(=O)N[C@H]1CCC[N@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000496166375 390313274 /nfs/dbraw/zinc/31/32/74/390313274.db2.gz CLIOGWKVWJAWIW-AAEUAGOBSA-N 2 2 273.377 0.167 20 0 CCADLP CCOC(=O)N[C@H]1CCC[N@@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000496166375 390313277 /nfs/dbraw/zinc/31/32/77/390313277.db2.gz CLIOGWKVWJAWIW-AAEUAGOBSA-N 2 2 273.377 0.167 20 0 CCADLP Cn1cc[nH+]c1CN1CCN(C(=O)CCC(C)(C)[NH3+])CC1 ZINC000648152676 390314663 /nfs/dbraw/zinc/31/46/63/390314663.db2.gz WIGQVKGOQPEPRA-UHFFFAOYSA-N 2 2 293.415 0.582 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C[NH+]1CCOCC1 ZINC000584004706 390334415 /nfs/dbraw/zinc/33/44/15/390334415.db2.gz SEHHHSOTYVUEIJ-MGPQQGTHSA-N 3 2 255.406 0.814 20 0 CCADLP Cc1cc(C[NH2+]Cc2c[nH+]c(N(C)C)n2C)ncn1 ZINC000644902347 390341870 /nfs/dbraw/zinc/34/18/70/390341870.db2.gz UIDAYGRCAJTIIO-UHFFFAOYSA-N 2 2 260.345 0.874 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C2(CCO)CCOCC2)n1C ZINC000644902394 390342470 /nfs/dbraw/zinc/34/24/70/390342470.db2.gz ZZBZLOVNTDDHBT-UHFFFAOYSA-N 2 2 282.388 0.507 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cnn3ccccc23)C1 ZINC000546567040 390350501 /nfs/dbraw/zinc/35/05/01/390350501.db2.gz VCYOVXFBXYXULF-CQSZACIVSA-N 2 2 260.341 0.491 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cnn3ccccc23)C1 ZINC000546567040 390350504 /nfs/dbraw/zinc/35/05/04/390350504.db2.gz VCYOVXFBXYXULF-CQSZACIVSA-N 2 2 260.341 0.491 20 0 CCADLP CC[C@H](CCO)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000584529999 390352806 /nfs/dbraw/zinc/35/28/06/390352806.db2.gz IMWOEISXIKNMRG-XJFOESAGSA-N 2 2 274.405 0.207 20 0 CCADLP CC[C@H](CCO)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000584529999 390352809 /nfs/dbraw/zinc/35/28/09/390352809.db2.gz IMWOEISXIKNMRG-XJFOESAGSA-N 2 2 274.405 0.207 20 0 CCADLP CC1(C)C[NH2+][C@@H]1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000645292879 390405433 /nfs/dbraw/zinc/40/54/33/390405433.db2.gz GNPHTMKNYDUHHN-CYBMUJFWSA-N 2 2 272.352 0.991 20 0 CCADLP CCOC(=O)N1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000497073808 390413300 /nfs/dbraw/zinc/41/33/00/390413300.db2.gz RZXROCPUFULMBE-ZDUSSCGKSA-N 2 2 255.362 0.760 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC000554551019 390432823 /nfs/dbraw/zinc/43/28/23/390432823.db2.gz MOADVGVLNQUFSR-GFCCVEGCSA-N 2 2 280.372 0.190 20 0 CCADLP Cc1cnc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)s1 ZINC000648437221 390372407 /nfs/dbraw/zinc/37/24/07/390372407.db2.gz DODPKQGDVGCDSO-UHFFFAOYSA-N 2 2 268.386 0.315 20 0 CCADLP O=C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NC[C@@H]1CCCO1 ZINC000517371638 390489738 /nfs/dbraw/zinc/48/97/38/390489738.db2.gz DDEABFLBZOPPNQ-ZFWWWQNUSA-N 2 2 281.400 0.357 20 0 CCADLP O=C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NC[C@@H]1CCCO1 ZINC000517371638 390489744 /nfs/dbraw/zinc/48/97/44/390489744.db2.gz DDEABFLBZOPPNQ-ZFWWWQNUSA-N 2 2 281.400 0.357 20 0 CCADLP Cc1cnn(CC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000519420391 390500270 /nfs/dbraw/zinc/50/02/70/390500270.db2.gz DNNITRSLADHRMX-UHFFFAOYSA-N 2 2 260.345 0.737 20 0 CCADLP Cc1cn2cc(NC(=O)c3cn(CCC[NH3+])nn3)ccc2[nH+]1 ZINC000645879822 390518279 /nfs/dbraw/zinc/51/82/79/390518279.db2.gz UUOPMJNOIKLYDN-UHFFFAOYSA-N 2 2 299.338 0.835 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@H]([NH3+])c1cscn1 ZINC000519598080 390514606 /nfs/dbraw/zinc/51/46/06/390514606.db2.gz CGQIUXJAULVVGW-LLVKDONJSA-N 2 2 279.369 0.888 20 0 CCADLP C[C@@H](N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000643452316 390448179 /nfs/dbraw/zinc/44/81/79/390448179.db2.gz FMIHMPGWWGHREN-YCPHGPKFSA-N 3 2 280.460 0.885 20 0 CCADLP C[C@@H](N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000643452316 390448182 /nfs/dbraw/zinc/44/81/82/390448182.db2.gz FMIHMPGWWGHREN-YCPHGPKFSA-N 3 2 280.460 0.885 20 0 CCADLP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000643452316 390448185 /nfs/dbraw/zinc/44/81/85/390448185.db2.gz FMIHMPGWWGHREN-YCPHGPKFSA-N 3 2 280.460 0.885 20 0 CCADLP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000643462665 390448946 /nfs/dbraw/zinc/44/89/46/390448946.db2.gz AMGCWQXTGURRLG-ZIAGYGMSSA-N 3 2 255.406 0.814 20 0 CCADLP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000643462665 390448951 /nfs/dbraw/zinc/44/89/51/390448951.db2.gz AMGCWQXTGURRLG-ZIAGYGMSSA-N 3 2 255.406 0.814 20 0 CCADLP O=C(C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)NC1CCCC1 ZINC000643469809 390450652 /nfs/dbraw/zinc/45/06/52/390450652.db2.gz VCJRFNBNHDGMGN-UKRRQHHQSA-N 2 2 281.400 0.402 20 0 CCADLP CC(C)[C@H]([NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)C(=O)N1CCCC1 ZINC000643470377 390450812 /nfs/dbraw/zinc/45/08/12/390450812.db2.gz KFAZAGZIZAPVID-KFWWJZLASA-N 2 2 297.443 0.990 20 0 CCADLP CCCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](C)C1 ZINC000648998094 390464019 /nfs/dbraw/zinc/46/40/19/390464019.db2.gz DKYCNCQRUHHRKF-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CCCN(C(=O)[C@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](C)C1 ZINC000648998094 390464023 /nfs/dbraw/zinc/46/40/23/390464023.db2.gz DKYCNCQRUHHRKF-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CCCN(C(=O)[C@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](C)C1 ZINC000648998094 390464026 /nfs/dbraw/zinc/46/40/26/390464026.db2.gz DKYCNCQRUHHRKF-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CCCN(C(=O)[C@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](C)C1 ZINC000648998094 390464029 /nfs/dbraw/zinc/46/40/29/390464029.db2.gz DKYCNCQRUHHRKF-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP Cc1noc(C)c1[C@H](C)CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000515842273 390478015 /nfs/dbraw/zinc/47/80/15/390478015.db2.gz VILMQWWGYZEMDI-MFKMUULPSA-N 2 2 294.399 0.886 20 0 CCADLP Cc1noc(C)c1[C@H](C)CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000515842273 390478018 /nfs/dbraw/zinc/47/80/18/390478018.db2.gz VILMQWWGYZEMDI-MFKMUULPSA-N 2 2 294.399 0.886 20 0 CCADLP CC[C@@H]1C[C@H](C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CCO1 ZINC000516649686 390484310 /nfs/dbraw/zinc/48/43/10/390484310.db2.gz YRIKNVIVHPOCPD-JHJVBQTASA-N 2 2 269.389 0.293 20 0 CCADLP CC[C@@H]1C[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CCO1 ZINC000516649686 390484314 /nfs/dbraw/zinc/48/43/14/390484314.db2.gz YRIKNVIVHPOCPD-JHJVBQTASA-N 2 2 269.389 0.293 20 0 CCADLP C[C@@H]1CCCN(c2cc(N3CCO[C@@H](C[NH3+])C3)nc[nH+]2)C1 ZINC000521011131 390591955 /nfs/dbraw/zinc/59/19/55/390591955.db2.gz KHRHULCYGGVDJK-OLZOCXBDSA-N 2 2 291.399 0.877 20 0 CCADLP C[C@@H]1CCCN(c2cc(N3CCO[C@@H](C[NH3+])C3)[nH+]cn2)C1 ZINC000521011131 390591960 /nfs/dbraw/zinc/59/19/60/390591960.db2.gz KHRHULCYGGVDJK-OLZOCXBDSA-N 2 2 291.399 0.877 20 0 CCADLP Cc1cc(CC[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)on1 ZINC000566128942 390582523 /nfs/dbraw/zinc/58/25/23/390582523.db2.gz QGPPXRKATINSCE-IHRRRGAJSA-N 2 2 297.399 0.585 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000519643578 390522541 /nfs/dbraw/zinc/52/25/41/390522541.db2.gz FFIZZJXHAPROQQ-LBPRGKRZSA-N 2 2 263.345 0.062 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000519643578 390522542 /nfs/dbraw/zinc/52/25/42/390522542.db2.gz FFIZZJXHAPROQQ-LBPRGKRZSA-N 2 2 263.345 0.062 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCSC[C@@H]1CC(=O)OC ZINC000565870913 390554158 /nfs/dbraw/zinc/55/41/58/390554158.db2.gz MXFFEMIZFOQABN-RYUDHWBXSA-N 2 2 290.429 0.280 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCSC[C@@H]1CC(=O)OC ZINC000565870913 390554162 /nfs/dbraw/zinc/55/41/62/390554162.db2.gz MXFFEMIZFOQABN-RYUDHWBXSA-N 2 2 290.429 0.280 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCSC[C@@H]1CC(=O)OC ZINC000565870913 390554167 /nfs/dbraw/zinc/55/41/67/390554167.db2.gz MXFFEMIZFOQABN-RYUDHWBXSA-N 2 2 290.429 0.280 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCSC[C@@H]1CC(=O)OC ZINC000565870913 390554170 /nfs/dbraw/zinc/55/41/70/390554170.db2.gz MXFFEMIZFOQABN-RYUDHWBXSA-N 2 2 290.429 0.280 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649299740 390560048 /nfs/dbraw/zinc/56/00/48/390560048.db2.gz QKUHFADHCIAZJB-ZJUUUORDSA-N 2 2 272.299 0.633 20 0 CCADLP CC(=O)NCCC[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000565958947 390562739 /nfs/dbraw/zinc/56/27/39/390562739.db2.gz HFCQOOHALQZPFJ-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP CC(=O)NCCC[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000565958947 390562744 /nfs/dbraw/zinc/56/27/44/390562744.db2.gz HFCQOOHALQZPFJ-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@H](CC(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1)n1cc[nH+]c1 ZINC000565957723 390563186 /nfs/dbraw/zinc/56/31/86/390563186.db2.gz ONMDDFCHUVQIDO-FRRDWIJNSA-N 2 2 278.356 0.424 20 0 CCADLP CC(C)N1C[C@H]([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1=O ZINC000520394082 390570054 /nfs/dbraw/zinc/57/00/54/390570054.db2.gz FOMBSDYXLIMQLO-IPYPFGDCSA-N 2 2 281.400 0.352 20 0 CCADLP CC1(C)C[NH2+][C@@H]1C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000649319744 390577258 /nfs/dbraw/zinc/57/72/58/390577258.db2.gz VNXYKMZJMKLHFS-UONOGXRCSA-N 2 2 295.427 0.698 20 0 CCADLP O=C(C[N@H+](C1CC1)C1CC[NH2+]CC1)NCc1cccnc1 ZINC000649409017 390624190 /nfs/dbraw/zinc/62/41/90/390624190.db2.gz XLUQBYZSAZPLDN-UHFFFAOYSA-N 2 2 288.395 0.914 20 0 CCADLP O=C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)NCc1cccnc1 ZINC000649409017 390624194 /nfs/dbraw/zinc/62/41/94/390624194.db2.gz XLUQBYZSAZPLDN-UHFFFAOYSA-N 2 2 288.395 0.914 20 0 CCADLP Cc1cccc2[nH+]c(CCNC(=O)NCC[NH3+])cn21 ZINC000646196272 390630217 /nfs/dbraw/zinc/63/02/17/390630217.db2.gz BXRTVPBFEHICCW-UHFFFAOYSA-N 2 2 261.329 0.443 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000523125062 390633496 /nfs/dbraw/zinc/63/34/96/390633496.db2.gz GDNRTFZTWRMVST-UHFFFAOYSA-N 2 2 297.322 0.597 20 0 CCADLP CC(C)[C@@H](C(=O)N1CC(n2cc[nH+]c2)C1)[NH+](C)C ZINC000523689505 390640250 /nfs/dbraw/zinc/64/02/50/390640250.db2.gz XFBPIMXTDVNVGO-LBPRGKRZSA-N 2 2 250.346 0.853 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCCCCn1cc[nH+]c1 ZINC000524367665 390644519 /nfs/dbraw/zinc/64/45/19/390644519.db2.gz HMYBSXXMHNDQPD-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NCCCCn1cc[nH+]c1 ZINC000524367665 390644524 /nfs/dbraw/zinc/64/45/24/390644524.db2.gz HMYBSXXMHNDQPD-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000566849887 390652778 /nfs/dbraw/zinc/65/27/78/390652778.db2.gz YJPZKGUMKPBRKB-BARDWOONSA-N 2 2 284.400 0.395 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@@H](F)C2)[C@H](C[NH3+])C1 ZINC000566854380 390653640 /nfs/dbraw/zinc/65/36/40/390653640.db2.gz LJTXJNXDQYFXJJ-IJLUTSLNSA-N 2 2 257.353 0.616 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2CCC[C@@H](F)C2)[C@H](C[NH3+])C1 ZINC000566854380 390653644 /nfs/dbraw/zinc/65/36/44/390653644.db2.gz LJTXJNXDQYFXJJ-IJLUTSLNSA-N 2 2 257.353 0.616 20 0 CCADLP [NH3+]CCCCC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000646265299 390653680 /nfs/dbraw/zinc/65/36/80/390653680.db2.gz RVAGCSDDKSPFOK-GFCCVEGCSA-N 2 2 262.357 0.906 20 0 CCADLP O=C(C[C@H]1CC[NH2+]C1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000646264971 390654100 /nfs/dbraw/zinc/65/41/00/390654100.db2.gz HAJZIBWZZNKCMC-OLZOCXBDSA-N 2 2 274.368 0.776 20 0 CCADLP C[C@H]1CC[N@H+](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC000524774502 390654759 /nfs/dbraw/zinc/65/47/59/390654759.db2.gz LPIQBYFVGBFUGA-LBPRGKRZSA-N 2 2 250.346 0.731 20 0 CCADLP C[C@H]1CC[N@@H+](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC000524774502 390654764 /nfs/dbraw/zinc/65/47/64/390654764.db2.gz LPIQBYFVGBFUGA-LBPRGKRZSA-N 2 2 250.346 0.731 20 0 CCADLP CC[N@@H+]1C[C@H](C)N(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000566874342 390656489 /nfs/dbraw/zinc/65/64/89/390656489.db2.gz PEGBCBFZLAZHSI-RYUDHWBXSA-N 2 2 264.373 0.904 20 0 CCADLP CC[N@H+]1C[C@H](C)N(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000566874342 390656495 /nfs/dbraw/zinc/65/64/95/390656495.db2.gz PEGBCBFZLAZHSI-RYUDHWBXSA-N 2 2 264.373 0.904 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649339849 390594580 /nfs/dbraw/zinc/59/45/80/390594580.db2.gz HBFWODQZFHXMLV-PJXYFTJBSA-N 2 2 262.357 0.621 20 0 CCADLP CCS(=O)(=O)CCC[NH2+]Cc1c[nH+]c(C)n1C ZINC000521069964 390595465 /nfs/dbraw/zinc/59/54/65/390595465.db2.gz ZJLCXCKXOBXYTP-UHFFFAOYSA-N 2 2 259.375 0.643 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)Cc1cccc(O)c1 ZINC000566415201 390598625 /nfs/dbraw/zinc/59/86/25/390598625.db2.gz YGRRFYRSHVLQGT-OAHLLOKOSA-N 2 2 282.384 0.763 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1cccc(O)c1 ZINC000566415201 390598627 /nfs/dbraw/zinc/59/86/27/390598627.db2.gz YGRRFYRSHVLQGT-OAHLLOKOSA-N 2 2 282.384 0.763 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)Cc1cccc(O)c1 ZINC000566415201 390598629 /nfs/dbraw/zinc/59/86/29/390598629.db2.gz YGRRFYRSHVLQGT-OAHLLOKOSA-N 2 2 282.384 0.763 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1cccc(O)c1 ZINC000566415201 390598630 /nfs/dbraw/zinc/59/86/30/390598630.db2.gz YGRRFYRSHVLQGT-OAHLLOKOSA-N 2 2 282.384 0.763 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)CCc1ccccc1O ZINC000566417619 390600547 /nfs/dbraw/zinc/60/05/47/390600547.db2.gz ZLPZYWCVUSKKOD-HNNXBMFYSA-N 2 2 296.411 0.806 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)CCc1ccccc1O ZINC000566417619 390600554 /nfs/dbraw/zinc/60/05/54/390600554.db2.gz ZLPZYWCVUSKKOD-HNNXBMFYSA-N 2 2 296.411 0.806 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)CCc1ccccc1O ZINC000566417619 390600557 /nfs/dbraw/zinc/60/05/57/390600557.db2.gz ZLPZYWCVUSKKOD-HNNXBMFYSA-N 2 2 296.411 0.806 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)CCc1ccccc1O ZINC000566417619 390600563 /nfs/dbraw/zinc/60/05/63/390600563.db2.gz ZLPZYWCVUSKKOD-HNNXBMFYSA-N 2 2 296.411 0.806 20 0 CCADLP COC[C@]1(C(=O)NCc2[nH]c[nH+]c2C)CCC[NH2+]1 ZINC000649347894 390600964 /nfs/dbraw/zinc/60/09/64/390600964.db2.gz LKARVZZAYQJCSF-LBPRGKRZSA-N 2 2 252.318 0.103 20 0 CCADLP CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000646112300 390603282 /nfs/dbraw/zinc/60/32/82/390603282.db2.gz MVMACFPRTYSJBD-NSHDSACASA-N 2 2 290.289 0.884 20 0 CCADLP CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000646112300 390603286 /nfs/dbraw/zinc/60/32/86/390603286.db2.gz MVMACFPRTYSJBD-NSHDSACASA-N 2 2 290.289 0.884 20 0 CCADLP CC1(C)CC[N@H+](CC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000566436753 390606422 /nfs/dbraw/zinc/60/64/22/390606422.db2.gz FHVQFFDLNGBWNU-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP CC1(C)CC[N@@H+](CC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000566436753 390606426 /nfs/dbraw/zinc/60/64/26/390606426.db2.gz FHVQFFDLNGBWNU-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP CC1(C)CC[NH+](CC(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000566436753 390606430 /nfs/dbraw/zinc/60/64/30/390606430.db2.gz FHVQFFDLNGBWNU-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP CC1(C)CC[NH+](CC(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000566436753 390606434 /nfs/dbraw/zinc/60/64/34/390606434.db2.gz FHVQFFDLNGBWNU-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP O=C1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](O)C2)CCN1 ZINC000643959947 390606782 /nfs/dbraw/zinc/60/67/82/390606782.db2.gz KPIKJIFIURAUSB-YJNKXOJESA-N 2 2 295.427 0.480 20 0 CCADLP O=C1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](O)C2)CCN1 ZINC000643959947 390606788 /nfs/dbraw/zinc/60/67/88/390606788.db2.gz KPIKJIFIURAUSB-YJNKXOJESA-N 2 2 295.427 0.480 20 0 CCADLP O=C1CC[C@@H](C[NH2+][C@@H]2CCC[C@@H]2[N@@H+]2CC[C@H](O)C2)CCN1 ZINC000643959944 390607550 /nfs/dbraw/zinc/60/75/50/390607550.db2.gz KPIKJIFIURAUSB-BARDWOONSA-N 2 2 295.427 0.480 20 0 CCADLP O=C1CC[C@@H](C[NH2+][C@@H]2CCC[C@@H]2[N@H+]2CC[C@H](O)C2)CCN1 ZINC000643959944 390607554 /nfs/dbraw/zinc/60/75/54/390607554.db2.gz KPIKJIFIURAUSB-BARDWOONSA-N 2 2 295.427 0.480 20 0 CCADLP Cc1[nH+]c2cc(NC(=O)[C@@H]3C[NH2+]CCO3)ccc2n1C ZINC000646125242 390612411 /nfs/dbraw/zinc/61/24/11/390612411.db2.gz ANGLCDRHDORNIE-ZDUSSCGKSA-N 2 2 274.324 0.809 20 0 CCADLP O=C(NC[C@@H]1CCCC[NH2+]1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000646650782 390703661 /nfs/dbraw/zinc/70/36/61/390703661.db2.gz LBKKXKGTKPDFRM-NSHDSACASA-N 2 2 286.339 0.534 20 0 CCADLP CN(CCC[NH3+])C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000646782334 390719137 /nfs/dbraw/zinc/71/91/37/390719137.db2.gz RJIQCHUWQVIXFR-UHFFFAOYSA-N 2 2 293.415 0.439 20 0 CCADLP CCCn1cc[nH+]c1CCCN(C)C(=O)C[NH2+]C ZINC000570840422 390721200 /nfs/dbraw/zinc/72/12/00/390721200.db2.gz WWJPDBFZPQJFEN-UHFFFAOYSA-N 2 2 252.362 0.904 20 0 CCADLP Cc1nnsc1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000570850005 390721497 /nfs/dbraw/zinc/72/14/97/390721497.db2.gz UTYROHRWNZJIIF-UHFFFAOYSA-N 2 2 283.445 0.916 20 0 CCADLP Cc1nnsc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000570850005 390721499 /nfs/dbraw/zinc/72/14/99/390721499.db2.gz UTYROHRWNZJIIF-UHFFFAOYSA-N 2 2 283.445 0.916 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](CO)c1ccc(OC)cc1 ZINC000570906793 390723539 /nfs/dbraw/zinc/72/35/39/390723539.db2.gz BRHYDNZPRZXYNX-GDBMZVCRSA-N 2 2 296.411 0.973 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](CO)c1ccc(OC)cc1 ZINC000570906793 390723540 /nfs/dbraw/zinc/72/35/40/390723540.db2.gz BRHYDNZPRZXYNX-GDBMZVCRSA-N 2 2 296.411 0.973 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](CO)c1ccc(OC)cc1 ZINC000570906793 390723541 /nfs/dbraw/zinc/72/35/41/390723541.db2.gz BRHYDNZPRZXYNX-GDBMZVCRSA-N 2 2 296.411 0.973 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](CO)c1ccc(OC)cc1 ZINC000570906793 390723542 /nfs/dbraw/zinc/72/35/42/390723542.db2.gz BRHYDNZPRZXYNX-GDBMZVCRSA-N 2 2 296.411 0.973 20 0 CCADLP Cc1ncncc1[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000566983882 390664287 /nfs/dbraw/zinc/66/42/87/390664287.db2.gz STOXILDHYHFGMW-MFKMUULPSA-N 2 2 250.346 0.502 20 0 CCADLP Cc1ncncc1[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000566983882 390664291 /nfs/dbraw/zinc/66/42/91/390664291.db2.gz STOXILDHYHFGMW-MFKMUULPSA-N 2 2 250.346 0.502 20 0 CCADLP [NH3+][C@H](C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1cscn1 ZINC000646385932 390675611 /nfs/dbraw/zinc/67/56/11/390675611.db2.gz FTVVSVRCBDOMMN-LOWVWBTDSA-N 2 2 294.424 0.991 20 0 CCADLP C[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)[C@@H]1CCCC[NH2+]1 ZINC000567226889 390680782 /nfs/dbraw/zinc/68/07/82/390680782.db2.gz WNFOZMZNPMKSIW-NEPJUHHUSA-N 2 2 291.461 0.825 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2C[C@@H](O)C2(C)C)C[C@@H](C)O1 ZINC000567235437 390681322 /nfs/dbraw/zinc/68/13/22/390681322.db2.gz KOZYSOLDKRNOBJ-DHGKCCLASA-N 2 2 286.416 0.206 20 0 CCADLP C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC1=O ZINC000567492631 390701431 /nfs/dbraw/zinc/70/14/31/390701431.db2.gz IUGWPQUIOUGLSI-XWUBHJNHSA-N 2 2 281.400 0.040 20 0 CCADLP C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC1=O ZINC000567492631 390701432 /nfs/dbraw/zinc/70/14/32/390701432.db2.gz IUGWPQUIOUGLSI-XWUBHJNHSA-N 2 2 281.400 0.040 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC000571810555 390754570 /nfs/dbraw/zinc/75/45/70/390754570.db2.gz DNEUXVKUOZIIKS-ZNMIVQPWSA-N 2 2 295.427 0.434 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC000571810555 390754573 /nfs/dbraw/zinc/75/45/73/390754573.db2.gz DNEUXVKUOZIIKS-ZNMIVQPWSA-N 2 2 295.427 0.434 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000528636014 390765625 /nfs/dbraw/zinc/76/56/25/390765625.db2.gz ULPABYFKWZEDRG-ZDUSSCGKSA-N 2 2 264.373 0.990 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000528636014 390765627 /nfs/dbraw/zinc/76/56/27/390765627.db2.gz ULPABYFKWZEDRG-ZDUSSCGKSA-N 2 2 264.373 0.990 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCCNc1cccc[nH+]1 ZINC000572057178 390765791 /nfs/dbraw/zinc/76/57/91/390765791.db2.gz SRHBEMNHODPWSZ-UHFFFAOYSA-N 2 2 259.313 0.897 20 0 CCADLP C[C@]1(CO)C[N@@H+](CCCn2cc[nH+]c2)C[C@@]1(C)CO ZINC000528749998 390774150 /nfs/dbraw/zinc/77/41/50/390774150.db2.gz GPJNBSKXJXSYHJ-OKILXGFUSA-N 2 2 267.373 0.586 20 0 CCADLP C[C@]1(CO)C[N@H+](CCCn2cc[nH+]c2)C[C@@]1(C)CO ZINC000528749998 390774152 /nfs/dbraw/zinc/77/41/52/390774152.db2.gz GPJNBSKXJXSYHJ-OKILXGFUSA-N 2 2 267.373 0.586 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+]C2CN(C(C)=O)C2)CC1 ZINC000572257273 390774975 /nfs/dbraw/zinc/77/49/75/390774975.db2.gz KTUQXZKDKMJNQZ-UHFFFAOYSA-N 2 2 297.399 0.224 20 0 CCADLP C[NH2+][C@@H](C)Cc1noc([C@@H]2CC[NH2+]CC2(F)F)n1 ZINC000647142933 390779838 /nfs/dbraw/zinc/77/98/38/390779838.db2.gz VMFZKQVIZDGBFG-YUMQZZPRSA-N 2 2 260.288 0.932 20 0 CCADLP C([NH2+]C[C@@H]1CCCO1)c1nc([C@H]2CCC[NH2+]2)no1 ZINC000647156802 390780845 /nfs/dbraw/zinc/78/08/45/390780845.db2.gz SDKWXZNOHPXEDV-VHSXEESVSA-N 2 2 252.318 0.763 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)CO1 ZINC000647183855 390784448 /nfs/dbraw/zinc/78/44/48/390784448.db2.gz PVKNDBKNRABIAU-RBSFLKMASA-N 2 2 283.416 0.160 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2ccc3c[nH]nc3c2)[C@H](C[NH3+])C1 ZINC000572481222 390785020 /nfs/dbraw/zinc/78/50/20/390785020.db2.gz YDNTZGHTYHNPME-CYBMUJFWSA-N 2 2 287.367 0.207 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2ccc3c[nH]nc3c2)[C@H](C[NH3+])C1 ZINC000572481222 390785023 /nfs/dbraw/zinc/78/50/23/390785023.db2.gz YDNTZGHTYHNPME-CYBMUJFWSA-N 2 2 287.367 0.207 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)[C@@]1(O)CCOC1 ZINC000647246783 390796752 /nfs/dbraw/zinc/79/67/52/390796752.db2.gz QJWANMJGCNSWJW-MBNYWOFBSA-N 2 2 256.390 0.704 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)[C@@]1(O)CCOC1 ZINC000647246783 390796753 /nfs/dbraw/zinc/79/67/53/390796753.db2.gz QJWANMJGCNSWJW-MBNYWOFBSA-N 2 2 256.390 0.704 20 0 CCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000529290719 390802047 /nfs/dbraw/zinc/80/20/47/390802047.db2.gz KTDPDMHKNHETNV-OLZOCXBDSA-N 2 2 279.388 0.911 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529293141 390802220 /nfs/dbraw/zinc/80/22/20/390802220.db2.gz OKEAGHCWCUQKFT-STQMWFEESA-N 2 2 296.415 0.291 20 0 CCADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000646914460 390739077 /nfs/dbraw/zinc/73/90/77/390739077.db2.gz YCRXLGCWYMPKCF-QWRGUYRKSA-N 2 2 262.357 0.850 20 0 CCADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000646914460 390739080 /nfs/dbraw/zinc/73/90/80/390739080.db2.gz YCRXLGCWYMPKCF-QWRGUYRKSA-N 2 2 262.357 0.850 20 0 CCADLP Cc1c[nH+]ccc1CC[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000571551903 390741157 /nfs/dbraw/zinc/74/11/57/390741157.db2.gz ZTUMVNFFFYDNNY-OAHLLOKOSA-N 3 2 263.385 0.977 20 0 CCADLP Cc1c[nH+]ccc1CC[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000571551903 390741161 /nfs/dbraw/zinc/74/11/61/390741161.db2.gz ZTUMVNFFFYDNNY-OAHLLOKOSA-N 3 2 263.385 0.977 20 0 CCADLP CSCCCCCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000578121765 390865308 /nfs/dbraw/zinc/86/53/08/390865308.db2.gz LVGCZGAHJNSKNW-GFCCVEGCSA-N 2 2 288.461 0.804 20 0 CCADLP CSCCCCCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000578121765 390865309 /nfs/dbraw/zinc/86/53/09/390865309.db2.gz LVGCZGAHJNSKNW-GFCCVEGCSA-N 2 2 288.461 0.804 20 0 CCADLP C[C@H]1CCC[N@H+](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC000573054108 390819819 /nfs/dbraw/zinc/81/98/19/390819819.db2.gz PSGWWOCIVBUOCZ-LBPRGKRZSA-N 2 2 250.346 0.731 20 0 CCADLP C[C@H]1CCC[N@@H+](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC000573054108 390819823 /nfs/dbraw/zinc/81/98/23/390819823.db2.gz PSGWWOCIVBUOCZ-LBPRGKRZSA-N 2 2 250.346 0.731 20 0 CCADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)[C@H](O)C(F)(F)F ZINC000647515077 390828030 /nfs/dbraw/zinc/82/80/30/390828030.db2.gz ONUBCXIWXRGSEI-SFGNSQDASA-N 2 2 270.295 0.343 20 0 CCADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)[C@H](O)C(F)(F)F ZINC000647515077 390828031 /nfs/dbraw/zinc/82/80/31/390828031.db2.gz ONUBCXIWXRGSEI-SFGNSQDASA-N 2 2 270.295 0.343 20 0 CCADLP O[C@H](C[NH2+]CC1(O)CCC1)C[N@@H+]1CCc2ccccc2C1 ZINC000647517548 390829477 /nfs/dbraw/zinc/82/94/77/390829477.db2.gz WHNUURYHCCDADX-MRXNPFEDSA-N 2 2 290.407 0.910 20 0 CCADLP O[C@H](C[NH2+]CC1(O)CCC1)C[N@H+]1CCc2ccccc2C1 ZINC000647517548 390829479 /nfs/dbraw/zinc/82/94/79/390829479.db2.gz WHNUURYHCCDADX-MRXNPFEDSA-N 2 2 290.407 0.910 20 0 CCADLP CN(C(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1)C1CC1 ZINC000534348600 390893912 /nfs/dbraw/zinc/89/39/12/390893912.db2.gz VYUZDTGLOZAGSU-LLVKDONJSA-N 2 2 262.357 0.830 20 0 CCADLP CN(C(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1)C1CC1 ZINC000534348600 390893913 /nfs/dbraw/zinc/89/39/13/390893913.db2.gz VYUZDTGLOZAGSU-LLVKDONJSA-N 2 2 262.357 0.830 20 0 CCADLP CC(C)OCC[C@@H](O)C[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000578882296 390905687 /nfs/dbraw/zinc/90/56/87/390905687.db2.gz ZNJFLTUFQCFSKE-LSDHHAIUSA-N 2 2 288.432 0.720 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](C)[NH2+]C2CC2)C[C@@H]1C ZINC000423894711 533421446 /nfs/dbraw/zinc/42/14/46/533421446.db2.gz MEPVJDOAVIRJOI-NWDGAFQWSA-N 2 2 297.399 0.223 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](C)[NH2+]C2CC2)C[C@@H]1C ZINC000423894711 533421448 /nfs/dbraw/zinc/42/14/48/533421448.db2.gz MEPVJDOAVIRJOI-NWDGAFQWSA-N 2 2 297.399 0.223 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](C)[NH2+]C2CC2)C[C@H]1C ZINC000423894715 533421782 /nfs/dbraw/zinc/42/17/82/533421782.db2.gz MEPVJDOAVIRJOI-VXGBXAGGSA-N 2 2 297.399 0.223 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](C)[NH2+]C2CC2)C[C@H]1C ZINC000423894715 533421785 /nfs/dbraw/zinc/42/17/85/533421785.db2.gz MEPVJDOAVIRJOI-VXGBXAGGSA-N 2 2 297.399 0.223 20 0 CCADLP COC(=O)CN1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000355282986 533513337 /nfs/dbraw/zinc/51/33/37/533513337.db2.gz QBPQLDZUDIDBGW-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP COC(=O)CN1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000355282986 533513343 /nfs/dbraw/zinc/51/33/43/533513343.db2.gz QBPQLDZUDIDBGW-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)NC(=O)NC1CC1 ZINC000424332045 533518188 /nfs/dbraw/zinc/51/81/88/533518188.db2.gz KKQIXRDPOUFNLX-FBIMIBRVSA-N 2 2 268.361 0.223 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC(=O)N(C)C2)C[N@@H+]1C1CC1 ZINC000657695739 413049624 /nfs/dbraw/zinc/04/96/24/413049624.db2.gz CXYBRCAUAYTQHD-UTUOFQBUSA-N 2 2 251.374 0.680 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC(=O)N(C)C2)C[N@H+]1C1CC1 ZINC000657695739 413049628 /nfs/dbraw/zinc/04/96/28/413049628.db2.gz CXYBRCAUAYTQHD-UTUOFQBUSA-N 2 2 251.374 0.680 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCCn2cc(CO)nn2)C[N@@H+]1C1CC1 ZINC000353221320 130090709 /nfs/dbraw/zinc/09/07/09/130090709.db2.gz FKEPNFSVJMKHFQ-RYUDHWBXSA-N 2 2 279.388 0.375 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCCn2cc(CO)nn2)C[N@H+]1C1CC1 ZINC000353221320 130090712 /nfs/dbraw/zinc/09/07/12/130090712.db2.gz FKEPNFSVJMKHFQ-RYUDHWBXSA-N 2 2 279.388 0.375 20 0 CCADLP CNC(=O)C[C@H](C)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000341960962 130175767 /nfs/dbraw/zinc/17/57/67/130175767.db2.gz AFBRKAFWTYTPNP-CMPLNLGQSA-N 2 2 259.419 0.538 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000192100406 130369573 /nfs/dbraw/zinc/36/95/73/130369573.db2.gz YYVLMKNUSMOSSB-QWRGUYRKSA-N 2 2 273.340 0.867 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000192121471 130377509 /nfs/dbraw/zinc/37/75/09/130377509.db2.gz PAWMNRMMVLIOLU-VXGBXAGGSA-N 3 2 270.421 0.112 20 0 CCADLP C[NH2+]CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000237204868 131013361 /nfs/dbraw/zinc/01/33/61/131013361.db2.gz PKHOQPJMOLLSQI-UHFFFAOYSA-N 2 2 291.399 0.776 20 0 CCADLP C[NH2+]CC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000237224516 131015750 /nfs/dbraw/zinc/01/57/50/131015750.db2.gz LBRLVMQUTMVMDD-UHFFFAOYSA-N 2 2 253.371 0.442 20 0 CCADLP C[NH2+]CC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000237224516 131015751 /nfs/dbraw/zinc/01/57/51/131015751.db2.gz LBRLVMQUTMVMDD-UHFFFAOYSA-N 2 2 253.371 0.442 20 0 CCADLP O=C(NCCCCNc1cccc[nH+]1)[C@H]1CC[NH2+]C1 ZINC000238019731 131073023 /nfs/dbraw/zinc/07/30/23/131073023.db2.gz HVCDAMPKSAOWGO-LBPRGKRZSA-N 2 2 262.357 0.999 20 0 CCADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)[C@H]1CSC[NH2+]1 ZINC000238060041 131075017 /nfs/dbraw/zinc/07/50/17/131075017.db2.gz HDYKLTXMNACKDB-GFCCVEGCSA-N 2 2 292.408 0.961 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000251068991 131128696 /nfs/dbraw/zinc/12/86/96/131128696.db2.gz FAPBCGRGRATNOP-MGPQQGTHSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)NC(=O)NC(C)(C)C)CC[C@H]1[NH3+] ZINC000251689574 131130646 /nfs/dbraw/zinc/13/06/46/131130646.db2.gz IGMSDXYYHZALHQ-NXEZZACHSA-N 2 2 270.377 0.280 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)CC[C@H]1[NH3+] ZINC000251689574 131130648 /nfs/dbraw/zinc/13/06/48/131130648.db2.gz IGMSDXYYHZALHQ-NXEZZACHSA-N 2 2 270.377 0.280 20 0 CCADLP CN1CC[NH+](CCOc2ccc(NC(=O)C[NH3+])cc2)CC1 ZINC000262633319 131244462 /nfs/dbraw/zinc/24/44/62/131244462.db2.gz GGVGDCXTLXZCCN-UHFFFAOYSA-N 2 2 292.383 0.210 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000262741685 131258052 /nfs/dbraw/zinc/25/80/52/131258052.db2.gz JCFLNPHKXPQMHP-DGCLKSJQSA-N 2 2 272.352 0.991 20 0 CCADLP CN(C)c1ccc(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000264036785 131384547 /nfs/dbraw/zinc/38/45/47/131384547.db2.gz UKJFQZKXCLJTRO-CYBMUJFWSA-N 2 2 291.399 0.993 20 0 CCADLP [NH3+][C@H]1CC[C@@H](C(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000269230395 132137337 /nfs/dbraw/zinc/13/73/37/132137337.db2.gz CNKZFIJUTHYMMG-MNOVXSKESA-N 2 2 262.357 0.963 20 0 CCADLP Cc1cccn2cc(CNC(=O)C[C@H]3C[NH2+]CCO3)[nH+]c12 ZINC000269263008 132145956 /nfs/dbraw/zinc/14/59/56/132145956.db2.gz NLFISDBRGNMSKU-ZDUSSCGKSA-N 2 2 288.351 0.637 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCn3nccc32)C1 ZINC000657974309 413080966 /nfs/dbraw/zinc/08/09/66/413080966.db2.gz NBHHDJLNQNLTQJ-WCQYABFASA-N 2 2 250.346 0.374 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCn3nccc32)C1 ZINC000657974309 413080976 /nfs/dbraw/zinc/08/09/76/413080976.db2.gz NBHHDJLNQNLTQJ-WCQYABFASA-N 2 2 250.346 0.374 20 0 CCADLP C[C@H]([NH3+])CC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000040856530 397394546 /nfs/dbraw/zinc/39/45/46/397394546.db2.gz VXCVMAPVXKWJMD-NSHDSACASA-N 2 2 278.356 0.272 20 0 CCADLP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1COCC[NH+]1CC ZINC000356606271 144018444 /nfs/dbraw/zinc/01/84/44/144018444.db2.gz VWYAOHLRVOMIQK-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1COCC[NH+]1CC ZINC000356606271 144018445 /nfs/dbraw/zinc/01/84/45/144018445.db2.gz VWYAOHLRVOMIQK-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP CCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1COCC[N@@H+]1CC ZINC000356606271 144018447 /nfs/dbraw/zinc/01/84/47/144018447.db2.gz VWYAOHLRVOMIQK-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP CCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1COCC[N@H+]1CC ZINC000356606271 144018448 /nfs/dbraw/zinc/01/84/48/144018448.db2.gz VWYAOHLRVOMIQK-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCOCC[NH3+] ZINC000357072594 144056784 /nfs/dbraw/zinc/05/67/84/144056784.db2.gz KWPVACYCWXMRGZ-ZDUSSCGKSA-N 3 2 252.362 0.631 20 0 CCADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000357072594 144056785 /nfs/dbraw/zinc/05/67/85/144056785.db2.gz KWPVACYCWXMRGZ-ZDUSSCGKSA-N 3 2 252.362 0.631 20 0 CCADLP [NH3+]CCOCC[NH+]1CCN(C(=O)c2ccsc2)CC1 ZINC000357100411 144060189 /nfs/dbraw/zinc/06/01/89/144060189.db2.gz FGHDTLISQVUFOR-UHFFFAOYSA-N 2 2 283.397 0.481 20 0 CCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)[NH+]2CCOCC2)[C@H](C)C1 ZINC000357233636 144071219 /nfs/dbraw/zinc/07/12/19/144071219.db2.gz FADSMCMCNPTWBR-KFWWJZLASA-N 2 2 297.443 0.896 20 0 CCADLP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)[NH+]2CCOCC2)[C@H](C)C1 ZINC000357233636 144071220 /nfs/dbraw/zinc/07/12/20/144071220.db2.gz FADSMCMCNPTWBR-KFWWJZLASA-N 2 2 297.443 0.896 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H](CO)c1ccccc1 ZINC000357318742 144081540 /nfs/dbraw/zinc/08/15/40/144081540.db2.gz JNMULXLWMDQHDI-HNNXBMFYSA-N 2 2 291.395 0.426 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H](CO)c1ccccc1 ZINC000357318742 144081541 /nfs/dbraw/zinc/08/15/41/144081541.db2.gz JNMULXLWMDQHDI-HNNXBMFYSA-N 2 2 291.395 0.426 20 0 CCADLP Cc1nc(N[C@@H](C)C[N@H+](C)C(C)C)nc(N(C)C)[nH+]1 ZINC000357568375 144100970 /nfs/dbraw/zinc/10/09/70/144100970.db2.gz NQRSIKUJLUQCQO-JTQLQIEISA-N 2 2 266.393 0.809 20 0 CCADLP Cc1nc(N[C@@H](C)C[N@@H+](C)C(C)C)nc(N(C)C)[nH+]1 ZINC000357568375 144100972 /nfs/dbraw/zinc/10/09/72/144100972.db2.gz NQRSIKUJLUQCQO-JTQLQIEISA-N 2 2 266.393 0.809 20 0 CCADLP C[C@H](C(=O)N1CCCCC1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357721928 144115932 /nfs/dbraw/zinc/11/59/32/144115932.db2.gz FSHKDBJVLBNLJY-CQSZACIVSA-N 2 2 297.443 0.776 20 0 CCADLP C[C@H](C(=O)N1CCCCC1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357721928 144115934 /nfs/dbraw/zinc/11/59/34/144115934.db2.gz FSHKDBJVLBNLJY-CQSZACIVSA-N 2 2 297.443 0.776 20 0 CCADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000357922662 144133931 /nfs/dbraw/zinc/13/39/31/144133931.db2.gz NSDYGUQOTBUNMR-CHWSQXEVSA-N 2 2 290.367 0.021 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000357985228 144140178 /nfs/dbraw/zinc/14/01/78/144140178.db2.gz JNLJPWZQQJDHHF-MNOVXSKESA-N 2 2 279.388 0.906 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000357985228 144140179 /nfs/dbraw/zinc/14/01/79/144140179.db2.gz JNLJPWZQQJDHHF-MNOVXSKESA-N 2 2 279.388 0.906 20 0 CCADLP COc1cccc(C(=O)NCC[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000358019859 144142138 /nfs/dbraw/zinc/14/21/38/144142138.db2.gz DTIFRPQEHNICAT-IUODEOHRSA-N 2 2 291.395 0.965 20 0 CCADLP COc1cccc(C(=O)NCC[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000358019859 144142140 /nfs/dbraw/zinc/14/21/40/144142140.db2.gz DTIFRPQEHNICAT-IUODEOHRSA-N 2 2 291.395 0.965 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCNC(=O)c2ccco2)C1 ZINC000358067269 144148737 /nfs/dbraw/zinc/14/87/37/144148737.db2.gz XHIQAQFVOJIQPO-NEPJUHHUSA-N 2 2 265.357 0.939 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCNC(=O)c2ccco2)C1 ZINC000358067269 144148738 /nfs/dbraw/zinc/14/87/38/144148738.db2.gz XHIQAQFVOJIQPO-NEPJUHHUSA-N 2 2 265.357 0.939 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)CCn2cc[nH+]c2)n1C ZINC000358082222 144150092 /nfs/dbraw/zinc/15/00/92/144150092.db2.gz WSVUIDOVJAOJKZ-UHFFFAOYSA-N 2 2 276.344 0.389 20 0 CCADLP C[C@@H](C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000358727411 144177018 /nfs/dbraw/zinc/17/70/18/144177018.db2.gz RLFNEJAPWGMQCE-MJBXVCDLSA-N 2 2 282.432 0.173 20 0 CCADLP C[C@@H](C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000358727411 144177020 /nfs/dbraw/zinc/17/70/20/144177020.db2.gz RLFNEJAPWGMQCE-MJBXVCDLSA-N 2 2 282.432 0.173 20 0 CCADLP CNC(=O)C[C@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000359101795 144194142 /nfs/dbraw/zinc/19/41/42/144194142.db2.gz RTVUHRNMMNOREK-NSHDSACASA-N 2 2 264.373 0.876 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(C[NH+](C)C)on1 ZINC000359155188 144197199 /nfs/dbraw/zinc/19/71/99/144197199.db2.gz CZXHKOSCUZAYJN-SNVBAGLBSA-N 2 2 277.328 0.751 20 0 CCADLP Cc1nc([C@H]2C[N@H+](CCC3CC[NH2+]CC3)CCO2)n[nH]1 ZINC000359215058 144202744 /nfs/dbraw/zinc/20/27/44/144202744.db2.gz PWDGSOMNJOGHTF-CYBMUJFWSA-N 2 2 279.388 0.876 20 0 CCADLP Cc1nc([C@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCO2)n[nH]1 ZINC000359215058 144202745 /nfs/dbraw/zinc/20/27/45/144202745.db2.gz PWDGSOMNJOGHTF-CYBMUJFWSA-N 2 2 279.388 0.876 20 0 CCADLP Cc1n[nH]cc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369273782 144261475 /nfs/dbraw/zinc/26/14/75/144261475.db2.gz JNONMWRVUFWJBH-LBPRGKRZSA-N 2 2 291.399 0.616 20 0 CCADLP Cc1n[nH]cc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369273782 144261476 /nfs/dbraw/zinc/26/14/76/144261476.db2.gz JNONMWRVUFWJBH-LBPRGKRZSA-N 2 2 291.399 0.616 20 0 CCADLP C[C@H]1OCC[C@@]12C[N@H+](CCn1cc[nH+]c1)CCO2 ZINC000369314776 144263956 /nfs/dbraw/zinc/26/39/56/144263956.db2.gz PGIVOQGQXKFRPW-CHWSQXEVSA-N 2 2 251.330 0.763 20 0 CCADLP C[C@H]1OCC[C@@]12C[N@@H+](CCn1cc[nH+]c1)CCO2 ZINC000369314776 144263957 /nfs/dbraw/zinc/26/39/57/144263957.db2.gz PGIVOQGQXKFRPW-CHWSQXEVSA-N 2 2 251.330 0.763 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCCOCC2)CC1 ZINC000371140665 144319596 /nfs/dbraw/zinc/31/95/96/144319596.db2.gz YETQPJQLWVAQFV-UHFFFAOYSA-N 2 2 298.431 0.444 20 0 CCADLP COC(=O)CCC[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000371305614 144325961 /nfs/dbraw/zinc/32/59/61/144325961.db2.gz ZMDMHTVQHVWFGN-LSDHHAIUSA-N 2 2 297.443 0.897 20 0 CCADLP COC(=O)CCC[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000371305614 144325962 /nfs/dbraw/zinc/32/59/62/144325962.db2.gz ZMDMHTVQHVWFGN-LSDHHAIUSA-N 2 2 297.443 0.897 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](COC)C1 ZINC000389060418 397509330 /nfs/dbraw/zinc/50/93/30/397509330.db2.gz IVZZNRIXEVPWGV-ZIAGYGMSSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](COC)C1 ZINC000389060418 397509331 /nfs/dbraw/zinc/50/93/31/397509331.db2.gz IVZZNRIXEVPWGV-ZIAGYGMSSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](COC)C1 ZINC000389060418 397509333 /nfs/dbraw/zinc/50/93/33/397509333.db2.gz IVZZNRIXEVPWGV-ZIAGYGMSSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](COC)C1 ZINC000389060418 397509334 /nfs/dbraw/zinc/50/93/34/397509334.db2.gz IVZZNRIXEVPWGV-ZIAGYGMSSA-N 2 2 274.405 0.284 20 0 CCADLP COC1(C[NH2+]CCC[NH+]2CCOCC2)CCOCC1 ZINC000428874944 292121270 /nfs/dbraw/zinc/12/12/70/292121270.db2.gz BVQOHGFXAXCAPT-UHFFFAOYSA-N 2 2 272.389 0.494 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@](C)(F)C1 ZINC000521366686 397570591 /nfs/dbraw/zinc/57/05/91/397570591.db2.gz MRHOOIRJPKLVPN-STQMWFEESA-N 2 2 262.369 0.750 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@](C)(F)C1 ZINC000521366686 397570597 /nfs/dbraw/zinc/57/05/97/397570597.db2.gz MRHOOIRJPKLVPN-STQMWFEESA-N 2 2 262.369 0.750 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@](C)(F)C1 ZINC000521366686 397570600 /nfs/dbraw/zinc/57/06/00/397570600.db2.gz MRHOOIRJPKLVPN-STQMWFEESA-N 2 2 262.369 0.750 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@](C)(F)C1 ZINC000521366686 397570605 /nfs/dbraw/zinc/57/06/05/397570605.db2.gz MRHOOIRJPKLVPN-STQMWFEESA-N 2 2 262.369 0.750 20 0 CCADLP CC(C)CC[C@@H](O)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649684809 397655082 /nfs/dbraw/zinc/65/50/82/397655082.db2.gz CQIDNZOOVJLTPW-CQSZACIVSA-N 2 2 285.432 0.489 20 0 CCADLP CC(C)CC[C@@H](O)C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649684809 397655084 /nfs/dbraw/zinc/65/50/84/397655084.db2.gz CQIDNZOOVJLTPW-CQSZACIVSA-N 2 2 285.432 0.489 20 0 CCADLP C[C@H](C(=O)Nc1nccs1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000649409613 397606019 /nfs/dbraw/zinc/60/60/19/397606019.db2.gz DIBDGPPBILSEON-LLVKDONJSA-N 2 2 297.428 0.307 20 0 CCADLP C[C@H](C(=O)Nc1nccs1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000649409613 397606020 /nfs/dbraw/zinc/60/60/20/397606020.db2.gz DIBDGPPBILSEON-LLVKDONJSA-N 2 2 297.428 0.307 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](CC)CC2)CC[C@@H]1[NH3+] ZINC000649417132 397609272 /nfs/dbraw/zinc/60/92/72/397609272.db2.gz YTVWXLQVXXZYBE-HIFRSBDPSA-N 3 2 296.459 0.646 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](CC)CC2)CC[C@@H]1[NH3+] ZINC000649417132 397609273 /nfs/dbraw/zinc/60/92/73/397609273.db2.gz YTVWXLQVXXZYBE-HIFRSBDPSA-N 3 2 296.459 0.646 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]C2(C3CCC3)CC2)CC1 ZINC000649808006 397670076 /nfs/dbraw/zinc/67/00/76/397670076.db2.gz NMXQKXNIQRGCIL-UHFFFAOYSA-N 2 2 251.374 0.683 20 0 CCADLP CCOC(=O)[C@](C)(O)C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000355088558 285949259 /nfs/dbraw/zinc/94/92/59/285949259.db2.gz OOWIIFKLXJENIF-CQSZACIVSA-N 2 2 272.389 0.763 20 0 CCADLP COCCn1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cn1 ZINC000547642373 285962980 /nfs/dbraw/zinc/96/29/80/285962980.db2.gz BSTBNFWRVWUVRY-CYBMUJFWSA-N 2 2 275.356 0.831 20 0 CCADLP CCC[NH+]1CCC(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC000548191735 286015535 /nfs/dbraw/zinc/01/55/35/286015535.db2.gz ORVZQMCLBCDBES-UHFFFAOYSA-N 2 2 264.373 0.953 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000430610720 286094116 /nfs/dbraw/zinc/09/41/16/286094116.db2.gz LNNIIFXROCXQKU-GFCCVEGCSA-N 2 2 257.378 0.071 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000430610720 286094118 /nfs/dbraw/zinc/09/41/18/286094118.db2.gz LNNIIFXROCXQKU-GFCCVEGCSA-N 2 2 257.378 0.071 20 0 CCADLP CN(C)S(=O)(=O)CC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000375692760 289241585 /nfs/dbraw/zinc/24/15/85/289241585.db2.gz YMUXRHRGOYNICW-UHFFFAOYSA-N 2 2 289.445 0.438 20 0 CCADLP CN(C)S(=O)(=O)CC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000375692760 289241588 /nfs/dbraw/zinc/24/15/88/289241588.db2.gz YMUXRHRGOYNICW-UHFFFAOYSA-N 2 2 289.445 0.438 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)c2ccc3c[nH+]cn3c2)CCO1 ZINC000550563544 286110305 /nfs/dbraw/zinc/11/03/05/286110305.db2.gz VEURWJBUONUVTI-LBPRGKRZSA-N 2 2 288.351 0.785 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)c2ccc3c[nH+]cn3c2)CCO1 ZINC000550563544 286110306 /nfs/dbraw/zinc/11/03/06/286110306.db2.gz VEURWJBUONUVTI-LBPRGKRZSA-N 2 2 288.351 0.785 20 0 CCADLP C[C@H](C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000360085998 289252935 /nfs/dbraw/zinc/25/29/35/289252935.db2.gz CFUMDLGNJJHHPG-KGLIPLIRSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@H](C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000360085998 289252937 /nfs/dbraw/zinc/25/29/37/289252937.db2.gz CFUMDLGNJJHHPG-KGLIPLIRSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@H](C(=O)NC[C@H](C)C[NH+]1CCOCC1)[NH+]1CC(C)C1 ZINC000553144856 286182025 /nfs/dbraw/zinc/18/20/25/286182025.db2.gz ILUNSKWAGNYRMX-GXTWGEPZSA-N 2 2 283.416 0.411 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)[NH+]1CC(C)C1 ZINC000553158438 286182732 /nfs/dbraw/zinc/18/27/32/286182732.db2.gz YCOYUGSPXRGLSL-HZSPNIEDSA-N 2 2 283.416 0.240 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1)[NH+]1CC(C)C1 ZINC000553158438 286182733 /nfs/dbraw/zinc/18/27/33/286182733.db2.gz YCOYUGSPXRGLSL-HZSPNIEDSA-N 2 2 283.416 0.240 20 0 CCADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cn[nH]c1 ZINC000340476114 287031961 /nfs/dbraw/zinc/03/19/61/287031961.db2.gz SXGKNAGIZLBMFB-DGCLKSJQSA-N 2 2 252.362 0.907 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@@H](C)CC[NH3+])CCO1 ZINC000418567320 287195127 /nfs/dbraw/zinc/19/51/27/287195127.db2.gz WLKOEVGRIKTFPS-NWDGAFQWSA-N 2 2 272.393 0.134 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@@H](C)CC[NH3+])CCO1 ZINC000418567320 287195129 /nfs/dbraw/zinc/19/51/29/287195129.db2.gz WLKOEVGRIKTFPS-NWDGAFQWSA-N 2 2 272.393 0.134 20 0 CCADLP C[NH+](C)[C@@]1(CNC(=O)C=Cc2c[nH]c[nH+]2)CCSC1 ZINC000284418867 196050760 /nfs/dbraw/zinc/05/07/60/196050760.db2.gz OKMPMSIITBMVQO-ITDFMYJTSA-N 2 2 280.397 0.976 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C[C@H](C)O1 ZINC000314194616 411754969 /nfs/dbraw/zinc/75/49/69/411754969.db2.gz NUSRJGBJHHOXCA-KPWCQOOUSA-N 2 2 253.390 0.247 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C[C@H](C)O1 ZINC000314194616 411754973 /nfs/dbraw/zinc/75/49/73/411754973.db2.gz NUSRJGBJHHOXCA-KPWCQOOUSA-N 2 2 253.390 0.247 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C2CC2)C1 ZINC000400007382 411776523 /nfs/dbraw/zinc/77/65/23/411776523.db2.gz SMBXCERTOWOEHE-UONOGXRCSA-N 2 2 256.390 0.657 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C2CC2)C1 ZINC000400007382 411776527 /nfs/dbraw/zinc/77/65/27/411776527.db2.gz SMBXCERTOWOEHE-UONOGXRCSA-N 2 2 256.390 0.657 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000400007382 411776529 /nfs/dbraw/zinc/77/65/29/411776529.db2.gz SMBXCERTOWOEHE-UONOGXRCSA-N 2 2 256.390 0.657 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](C2CC2)C1 ZINC000400007382 411776532 /nfs/dbraw/zinc/77/65/32/411776532.db2.gz SMBXCERTOWOEHE-UONOGXRCSA-N 2 2 256.390 0.657 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C2CC2)C1 ZINC000400007380 411777232 /nfs/dbraw/zinc/77/72/32/411777232.db2.gz SMBXCERTOWOEHE-KBPBESRZSA-N 2 2 256.390 0.657 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C2CC2)C1 ZINC000400007380 411777236 /nfs/dbraw/zinc/77/72/36/411777236.db2.gz SMBXCERTOWOEHE-KBPBESRZSA-N 2 2 256.390 0.657 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000400007380 411777240 /nfs/dbraw/zinc/77/72/40/411777240.db2.gz SMBXCERTOWOEHE-KBPBESRZSA-N 2 2 256.390 0.657 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C2CC2)C1 ZINC000400007380 411777243 /nfs/dbraw/zinc/77/72/43/411777243.db2.gz SMBXCERTOWOEHE-KBPBESRZSA-N 2 2 256.390 0.657 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](OC(C)C)C1 ZINC000404496818 411796328 /nfs/dbraw/zinc/79/63/28/411796328.db2.gz VSUXQBNFHLBSPU-HUUCEWRRSA-N 2 2 288.432 0.815 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](OC(C)C)C1 ZINC000404496818 411796331 /nfs/dbraw/zinc/79/63/31/411796331.db2.gz VSUXQBNFHLBSPU-HUUCEWRRSA-N 2 2 288.432 0.815 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](OC(C)C)C1 ZINC000404496818 411796339 /nfs/dbraw/zinc/79/63/39/411796339.db2.gz VSUXQBNFHLBSPU-HUUCEWRRSA-N 2 2 288.432 0.815 20 0 CCADLP CCCN(CCC)C(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405206522 411800352 /nfs/dbraw/zinc/80/03/52/411800352.db2.gz JBFJKOHWAQHGLN-ZIAGYGMSSA-N 2 2 285.432 0.931 20 0 CCADLP CCCN(CCC)C(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405206522 411800353 /nfs/dbraw/zinc/80/03/53/411800353.db2.gz JBFJKOHWAQHGLN-ZIAGYGMSSA-N 2 2 285.432 0.931 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)NCC[NH+]1CCC1 ZINC000651563755 411897769 /nfs/dbraw/zinc/89/77/69/411897769.db2.gz FQIPQHYZJXNXGE-UHFFFAOYSA-N 2 2 262.357 0.584 20 0 CCADLP CC[N@H+](CCO)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000651754858 411928418 /nfs/dbraw/zinc/92/84/18/411928418.db2.gz QUFBKMFFWGXYPX-GFCCVEGCSA-N 2 2 268.361 0.265 20 0 CCADLP CC[N@@H+](CCO)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000651754858 411928423 /nfs/dbraw/zinc/92/84/23/411928423.db2.gz QUFBKMFFWGXYPX-GFCCVEGCSA-N 2 2 268.361 0.265 20 0 CCADLP CCN1C[C@H](C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1=O ZINC000652015129 411977207 /nfs/dbraw/zinc/97/72/07/411977207.db2.gz VETRJBCSOVORAO-DYEKYZERSA-N 2 2 265.401 0.927 20 0 CCADLP CCN1C[C@H](C[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1=O ZINC000652015129 411977211 /nfs/dbraw/zinc/97/72/11/411977211.db2.gz VETRJBCSOVORAO-DYEKYZERSA-N 2 2 265.401 0.927 20 0 CCADLP O=C(NCCC1CC[NH2+]CC1)NCCn1cc[nH+]c1 ZINC000652119991 411989560 /nfs/dbraw/zinc/98/95/60/411989560.db2.gz OTXRBORIIMUUKI-UHFFFAOYSA-N 2 2 265.361 0.572 20 0 CCADLP C[C@H]1CCC[N@H+](CC(=O)Nc2ccon2)[C@@H]1CC[NH3+] ZINC000652353734 412035974 /nfs/dbraw/zinc/03/59/74/412035974.db2.gz BVZCMKRTQMKTDJ-WDEREUQCSA-N 2 2 266.345 0.484 20 0 CCADLP C[C@H]1CCC[N@@H+](CC(=O)Nc2ccon2)[C@@H]1CC[NH3+] ZINC000652353734 412035977 /nfs/dbraw/zinc/03/59/77/412035977.db2.gz BVZCMKRTQMKTDJ-WDEREUQCSA-N 2 2 266.345 0.484 20 0 CCADLP CCO[C@@H]1C[N@H+](CC(=O)N(C)CC2CC2)C[C@H]1C[NH3+] ZINC000652356410 412036074 /nfs/dbraw/zinc/03/60/74/412036074.db2.gz IJDVAUKQJKHSDN-CHWSQXEVSA-N 2 2 269.389 0.150 20 0 CCADLP CCO[C@@H]1C[N@@H+](CC(=O)N(C)CC2CC2)C[C@H]1C[NH3+] ZINC000652356410 412036078 /nfs/dbraw/zinc/03/60/78/412036078.db2.gz IJDVAUKQJKHSDN-CHWSQXEVSA-N 2 2 269.389 0.150 20 0 CCADLP COc1ccccc1C(=O)N1CC[NH+](CCC[NH3+])CC1 ZINC000020181754 171045599 /nfs/dbraw/zinc/04/55/99/171045599.db2.gz RWOPXGAJNYMVCL-UHFFFAOYSA-N 2 2 277.368 0.802 20 0 CCADLP [NH3+]CCC[NH+]1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000020181791 171045652 /nfs/dbraw/zinc/04/56/52/171045652.db2.gz BEKDRHGYPNPWDN-UHFFFAOYSA-N 2 2 291.351 0.522 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(-c2nc[nH]n2)cc1 ZINC000653089153 412214643 /nfs/dbraw/zinc/21/46/43/412214643.db2.gz YOTVNNLMYWZKOS-LBPRGKRZSA-N 2 2 288.355 0.689 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC[C@@H]1[NH3+] ZINC000653051385 412202225 /nfs/dbraw/zinc/20/22/25/412202225.db2.gz YBGZHKHPNRFTSS-YPMHNXCESA-N 2 2 276.384 0.958 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCc2ccccc2C1 ZINC000653056023 412203939 /nfs/dbraw/zinc/20/39/39/412203939.db2.gz RQBBFDFPLQGNSK-AWEZNQCLSA-N 2 2 261.369 0.850 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCCOc1ccccc1 ZINC000653062037 412204958 /nfs/dbraw/zinc/20/49/58/412204958.db2.gz KDDQOHDKLDTMHD-CQSZACIVSA-N 2 2 279.384 0.851 20 0 CCADLP CN(C[C@H]1CCCCO1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653077047 412210011 /nfs/dbraw/zinc/21/00/11/412210011.db2.gz MYZWPFIYUDEEPP-NEPJUHHUSA-N 2 2 257.378 0.293 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000652891118 412146692 /nfs/dbraw/zinc/14/66/92/412146692.db2.gz ACVRZEBUAOHOHC-GFCCVEGCSA-N 2 2 290.367 0.039 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000652891118 412146696 /nfs/dbraw/zinc/14/66/96/412146696.db2.gz ACVRZEBUAOHOHC-GFCCVEGCSA-N 2 2 290.367 0.039 20 0 CCADLP COCCOCC[NH+]1CCN(C(=O)CC2([NH3+])CCC2)CC1 ZINC000653275482 412276323 /nfs/dbraw/zinc/27/63/23/412276323.db2.gz GSKIDDLQHVTDCF-UHFFFAOYSA-N 2 2 299.415 0.065 20 0 CCADLP CCc1cc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)n(C)n1 ZINC000653092341 412216289 /nfs/dbraw/zinc/21/62/89/412216289.db2.gz ZNGWKIFKFJVMIV-SNVBAGLBSA-N 2 2 253.350 0.200 20 0 CCADLP C[C@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)Oc1ccc(F)cc1 ZINC000653096219 412217070 /nfs/dbraw/zinc/21/70/70/412217070.db2.gz GOGOPZUPPFGMOP-BXUZGUMPSA-N 2 2 297.374 0.988 20 0 CCADLP CCC[NH+]1CCC(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653107002 412220849 /nfs/dbraw/zinc/22/08/49/412220849.db2.gz UHYHFAWZJQSPOC-ZDUSSCGKSA-N 3 2 270.421 0.256 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cccnc1-n1cccn1 ZINC000653108645 412221312 /nfs/dbraw/zinc/22/13/12/412221312.db2.gz CKDBJUUKGUEJJT-NSHDSACASA-N 2 2 288.355 0.485 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000653109498 412222725 /nfs/dbraw/zinc/22/27/25/412222725.db2.gz CUYHUUZCWXYDNQ-CABCVRRESA-N 3 2 298.475 0.892 20 0 CCADLP C[C@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000653113871 412225466 /nfs/dbraw/zinc/22/54/66/412225466.db2.gz QOOJJONQXXJODH-ZIAGYGMSSA-N 3 2 284.448 0.502 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653116528 412228131 /nfs/dbraw/zinc/22/81/31/412228131.db2.gz KGXHBJIOVWDBHC-CHWSQXEVSA-N 3 2 270.421 0.256 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653116528 412228134 /nfs/dbraw/zinc/22/81/34/412228134.db2.gz KGXHBJIOVWDBHC-CHWSQXEVSA-N 3 2 270.421 0.256 20 0 CCADLP Cc1cnc([C@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C)s1 ZINC000653123401 412232563 /nfs/dbraw/zinc/23/25/63/412232563.db2.gz XLAXHHWPQYWPLF-VHSXEESVSA-N 2 2 270.402 0.908 20 0 CCADLP CCC[NH2+]CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653126806 412234121 /nfs/dbraw/zinc/23/41/21/412234121.db2.gz IRZZDHNEUGCQAA-UHFFFAOYSA-N 2 2 264.373 0.878 20 0 CCADLP C[C@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](C)C[NH2+]1 ZINC000653128804 412234408 /nfs/dbraw/zinc/23/44/08/412234408.db2.gz ZJJMIQAFDSZBAQ-RYUDHWBXSA-N 2 2 276.384 0.971 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000653130527 412235057 /nfs/dbraw/zinc/23/50/57/412235057.db2.gz QYJKBUXGSQTTIO-AWEZNQCLSA-N 3 2 278.400 0.253 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000653148719 412242071 /nfs/dbraw/zinc/24/20/71/412242071.db2.gz ITVCWRPSXCJNSG-MCIONIFRSA-N 2 2 277.368 0.040 20 0 CCADLP CO[C@@H]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653149070 412242586 /nfs/dbraw/zinc/24/25/86/412242586.db2.gz VPYAYTHSJPTPEK-IJLUTSLNSA-N 2 2 257.378 0.197 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC[C@H](OCC2CC2)C1 ZINC000653151308 412243838 /nfs/dbraw/zinc/24/38/38/412243838.db2.gz CKWBQKXZJPPVKV-UONOGXRCSA-N 2 2 283.416 0.683 20 0 CCADLP CCOC[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(C)C ZINC000653151313 412243920 /nfs/dbraw/zinc/24/39/20/412243920.db2.gz CNCRMDWKJNWFHA-RYUDHWBXSA-N 2 2 259.394 0.443 20 0 CCADLP COc1ccc(N(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653180037 412253178 /nfs/dbraw/zinc/25/31/78/412253178.db2.gz HFJAONXAZCAPAJ-ZDUSSCGKSA-N 2 2 265.357 0.937 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000653499587 412308858 /nfs/dbraw/zinc/30/88/58/412308858.db2.gz SZZIJMKVMORZKW-STQMWFEESA-N 2 2 266.389 0.902 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000653499587 412308859 /nfs/dbraw/zinc/30/88/59/412308859.db2.gz SZZIJMKVMORZKW-STQMWFEESA-N 2 2 266.389 0.902 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000653499587 412308863 /nfs/dbraw/zinc/30/88/63/412308863.db2.gz SZZIJMKVMORZKW-STQMWFEESA-N 2 2 266.389 0.902 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC2(CC2)CC1 ZINC000653593636 412321876 /nfs/dbraw/zinc/32/18/76/412321876.db2.gz IVGRWEIXHLVBPN-ZDUSSCGKSA-N 2 2 256.390 0.802 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC2(CC2)CC1 ZINC000653593636 412321878 /nfs/dbraw/zinc/32/18/78/412321878.db2.gz IVGRWEIXHLVBPN-ZDUSSCGKSA-N 2 2 256.390 0.802 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@H](F)C1 ZINC000653609334 412325033 /nfs/dbraw/zinc/32/50/33/412325033.db2.gz IADUCAVDYLCZMH-RWMBFGLXSA-N 2 2 262.369 0.605 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@H](F)C1 ZINC000653609334 412325034 /nfs/dbraw/zinc/32/50/34/412325034.db2.gz IADUCAVDYLCZMH-RWMBFGLXSA-N 2 2 262.369 0.605 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000653609334 412325038 /nfs/dbraw/zinc/32/50/38/412325038.db2.gz IADUCAVDYLCZMH-RWMBFGLXSA-N 2 2 262.369 0.605 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000653609334 412325040 /nfs/dbraw/zinc/32/50/40/412325040.db2.gz IADUCAVDYLCZMH-RWMBFGLXSA-N 2 2 262.369 0.605 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000653477104 412303794 /nfs/dbraw/zinc/30/37/94/412303794.db2.gz DWBDNSHUHWWHNN-UPJWGTAASA-N 2 2 279.388 0.911 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000654737022 412434678 /nfs/dbraw/zinc/43/46/78/412434678.db2.gz JTBNUBUVHYKPDX-WDEREUQCSA-N 2 2 250.346 0.799 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000654737022 412434680 /nfs/dbraw/zinc/43/46/80/412434680.db2.gz JTBNUBUVHYKPDX-WDEREUQCSA-N 2 2 250.346 0.799 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000654737022 412434683 /nfs/dbraw/zinc/43/46/83/412434683.db2.gz JTBNUBUVHYKPDX-WDEREUQCSA-N 2 2 250.346 0.799 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000654737022 412434685 /nfs/dbraw/zinc/43/46/85/412434685.db2.gz JTBNUBUVHYKPDX-WDEREUQCSA-N 2 2 250.346 0.799 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000654889862 412448387 /nfs/dbraw/zinc/44/83/87/412448387.db2.gz BKFYQPPSADOJQY-TZMCWYRMSA-N 2 2 292.383 0.521 20 0 CCADLP CC1(C)C[NH+](CC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000654890112 412448438 /nfs/dbraw/zinc/44/84/38/412448438.db2.gz JHJJHFZBLGORGB-CYBMUJFWSA-N 2 2 281.400 0.261 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)NCC[NH+]2CCCCC2)c1 ZINC000654954079 412453091 /nfs/dbraw/zinc/45/30/91/412453091.db2.gz BQIHRUPNUJMEAQ-UHFFFAOYSA-N 2 2 279.388 0.748 20 0 CCADLP C[C@H](C(=O)N(C)CCCN(C)CC[NH+](C)C)[NH+]1CC(C)C1 ZINC000655082608 412475189 /nfs/dbraw/zinc/47/51/89/412475189.db2.gz GQIFFJYECQWUPM-OAHLLOKOSA-N 2 2 298.475 0.669 20 0 CCADLP [NH3+]CC12CC(C1)CN2C(=O)NCCCCn1cc[nH+]c1 ZINC000659442155 413502110 /nfs/dbraw/zinc/50/21/10/413502110.db2.gz ZJHUQUAYEGHUQK-UHFFFAOYSA-N 2 2 277.372 0.796 20 0 CCADLP CC[NH2+]CCCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659504803 413560030 /nfs/dbraw/zinc/56/00/30/413560030.db2.gz ABLUNKVUGDRJPJ-CYBMUJFWSA-N 2 2 284.404 0.102 20 0 CCADLP C[C@@H](NC(=O)N[C@@H]1CCC[NH2+]C1)c1[nH+]ccn1C ZINC000659518478 413588625 /nfs/dbraw/zinc/58/86/25/413588625.db2.gz XUMAOHBYHQPWTG-NXEZZACHSA-N 2 2 251.334 0.532 20 0 CCADLP C[C@@H](NC(=O)NCC[C@@H]1CC[NH2+]C1)c1[nH+]ccn1C ZINC000659514807 413578037 /nfs/dbraw/zinc/57/80/37/413578037.db2.gz VDCJWXFTIXBDTG-MNOVXSKESA-N 2 2 265.361 0.780 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000659555164 413648190 /nfs/dbraw/zinc/64/81/90/413648190.db2.gz OYIDZGDGHGBERZ-ZJUUUORDSA-N 2 2 251.334 0.679 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000659555164 413648200 /nfs/dbraw/zinc/64/82/00/413648200.db2.gz OYIDZGDGHGBERZ-ZJUUUORDSA-N 2 2 251.334 0.679 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC2=CCCC2)[C@H](C[NH3+])C1 ZINC000659607984 413691790 /nfs/dbraw/zinc/69/17/90/413691790.db2.gz IQXSNRMLHPMENS-GFCCVEGCSA-N 2 2 252.362 0.381 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC2=CCCC2)[C@H](C[NH3+])C1 ZINC000659607984 413691798 /nfs/dbraw/zinc/69/17/98/413691798.db2.gz IQXSNRMLHPMENS-GFCCVEGCSA-N 2 2 252.362 0.381 20 0 CCADLP C[C@H](NC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)c1[nH+]ccn1C ZINC000659628012 413724202 /nfs/dbraw/zinc/72/42/02/413724202.db2.gz JTSWLUNIZSCFBB-OUAUKWLOSA-N 2 2 265.361 0.860 20 0 CCADLP C[C@H](NC(=O)N1C[C@@H](C[NH3+])C[C@H]1C)c1[nH+]ccn1C ZINC000659627281 413724823 /nfs/dbraw/zinc/72/48/23/413724823.db2.gz GXZMMBVDCWCMSK-OUAUKWLOSA-N 2 2 265.361 0.860 20 0 CCADLP C[C@H](NC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)c1[nH+]ccn1C ZINC000659628146 413725204 /nfs/dbraw/zinc/72/52/04/413725204.db2.gz LXOSZFJLNQZOGT-QJPTWQEYSA-N 2 2 277.372 0.875 20 0 CCADLP C[C@H](NC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)c1[nH+]ccn1C ZINC000659628148 413725260 /nfs/dbraw/zinc/72/52/60/413725260.db2.gz LXOSZFJLNQZOGT-SRVKXCTJSA-N 2 2 277.372 0.875 20 0 CCADLP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[NH+](CC(N)=O)CC2)C1 ZINC000659824036 413892371 /nfs/dbraw/zinc/89/23/71/413892371.db2.gz MGNRSQPUJDEFDY-ZIAGYGMSSA-N 2 2 282.432 0.067 20 0 CCADLP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)CC(N)=O ZINC000285579220 196332782 /nfs/dbraw/zinc/33/27/82/196332782.db2.gz WUGSYZIXUJGILV-UHFFFAOYSA-N 2 2 290.411 0.221 20 0 CCADLP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)CC(N)=O ZINC000285579220 196332783 /nfs/dbraw/zinc/33/27/83/196332783.db2.gz WUGSYZIXUJGILV-UHFFFAOYSA-N 2 2 290.411 0.221 20 0 CCADLP CCN1OC[C@H]([N@@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)C1=O ZINC000659980137 414019016 /nfs/dbraw/zinc/01/90/16/414019016.db2.gz RPOVLIWENKRFOD-KGLIPLIRSA-N 2 2 299.415 0.581 20 0 CCADLP CCN1OC[C@H]([N@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)C1=O ZINC000659980137 414019028 /nfs/dbraw/zinc/01/90/28/414019028.db2.gz RPOVLIWENKRFOD-KGLIPLIRSA-N 2 2 299.415 0.581 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285721906 196377615 /nfs/dbraw/zinc/37/76/15/196377615.db2.gz QFJCFYIMLUZFQC-NSHDSACASA-N 2 2 296.371 0.617 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285721906 196377617 /nfs/dbraw/zinc/37/76/17/196377617.db2.gz QFJCFYIMLUZFQC-NSHDSACASA-N 2 2 296.371 0.617 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285721906 196377618 /nfs/dbraw/zinc/37/76/18/196377618.db2.gz QFJCFYIMLUZFQC-NSHDSACASA-N 2 2 296.371 0.617 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285721906 196377620 /nfs/dbraw/zinc/37/76/20/196377620.db2.gz QFJCFYIMLUZFQC-NSHDSACASA-N 2 2 296.371 0.617 20 0 CCADLP CC(C)[NH2+]C1CC[NH+](CCN2C(=O)CN(C)C2=O)CC1 ZINC000660064870 414084219 /nfs/dbraw/zinc/08/42/19/414084219.db2.gz WUDXTUBDZYWEFT-UHFFFAOYSA-N 2 2 282.388 0.343 20 0 CCADLP C[C@@H]1C[NH+](CCN(C)Cc2[nH]cc[nH+]2)C[C@@H](C)O1 ZINC000660142477 414150202 /nfs/dbraw/zinc/15/02/02/414150202.db2.gz ZTLZKRKZKGDVGT-VXGBXAGGSA-N 2 2 252.362 0.951 20 0 CCADLP Cc1nc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)co1 ZINC000660165097 414174919 /nfs/dbraw/zinc/17/49/19/414174919.db2.gz PMAQLXRCPJVKOZ-UHFFFAOYSA-N 2 2 295.383 0.642 20 0 CCADLP CO[C@@H](C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)[C@H]1CCOC1 ZINC000660420420 414306725 /nfs/dbraw/zinc/30/67/25/414306725.db2.gz RHYFIKAALHIRFZ-STQMWFEESA-N 2 2 280.372 0.583 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000660463797 414337277 /nfs/dbraw/zinc/33/72/77/414337277.db2.gz IUDAEMJDCKUJFJ-RYUDHWBXSA-N 2 2 298.387 0.656 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000660463797 414337280 /nfs/dbraw/zinc/33/72/80/414337280.db2.gz IUDAEMJDCKUJFJ-RYUDHWBXSA-N 2 2 298.387 0.656 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000660463797 414337284 /nfs/dbraw/zinc/33/72/84/414337284.db2.gz IUDAEMJDCKUJFJ-RYUDHWBXSA-N 2 2 298.387 0.656 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000660463797 414337288 /nfs/dbraw/zinc/33/72/88/414337288.db2.gz IUDAEMJDCKUJFJ-RYUDHWBXSA-N 2 2 298.387 0.656 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000660463797 414337294 /nfs/dbraw/zinc/33/72/94/414337294.db2.gz IUDAEMJDCKUJFJ-RYUDHWBXSA-N 2 2 298.387 0.656 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000660463797 414337298 /nfs/dbraw/zinc/33/72/98/414337298.db2.gz IUDAEMJDCKUJFJ-RYUDHWBXSA-N 2 2 298.387 0.656 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000660463797 414337304 /nfs/dbraw/zinc/33/73/04/414337304.db2.gz IUDAEMJDCKUJFJ-RYUDHWBXSA-N 2 2 298.387 0.656 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000660463797 414337307 /nfs/dbraw/zinc/33/73/07/414337307.db2.gz IUDAEMJDCKUJFJ-RYUDHWBXSA-N 2 2 298.387 0.656 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000660527881 414379625 /nfs/dbraw/zinc/37/96/25/414379625.db2.gz HXAALOKXKYLRIK-VWYCJHECSA-N 2 2 286.338 0.836 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000660527881 414379630 /nfs/dbraw/zinc/37/96/30/414379630.db2.gz HXAALOKXKYLRIK-VWYCJHECSA-N 2 2 286.338 0.836 20 0 CCADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)N1CCOCC1)C2 ZINC000660653010 414429251 /nfs/dbraw/zinc/42/92/51/414429251.db2.gz NWWUAORRAYAQGB-OAHLLOKOSA-N 2 2 281.400 0.263 20 0 CCADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)N1CCOCC1)C2 ZINC000660653010 414429255 /nfs/dbraw/zinc/42/92/55/414429255.db2.gz NWWUAORRAYAQGB-OAHLLOKOSA-N 2 2 281.400 0.263 20 0 CCADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC(=O)N1CCOCC1)C2 ZINC000660653010 414429261 /nfs/dbraw/zinc/42/92/61/414429261.db2.gz NWWUAORRAYAQGB-OAHLLOKOSA-N 2 2 281.400 0.263 20 0 CCADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC(=O)N1CCOCC1)C2 ZINC000660653010 414429264 /nfs/dbraw/zinc/42/92/64/414429264.db2.gz NWWUAORRAYAQGB-OAHLLOKOSA-N 2 2 281.400 0.263 20 0 CCADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)N1CCOCC1)C2 ZINC000660653009 414430054 /nfs/dbraw/zinc/43/00/54/414430054.db2.gz NWWUAORRAYAQGB-HNNXBMFYSA-N 2 2 281.400 0.263 20 0 CCADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)N1CCOCC1)C2 ZINC000660653009 414430061 /nfs/dbraw/zinc/43/00/61/414430061.db2.gz NWWUAORRAYAQGB-HNNXBMFYSA-N 2 2 281.400 0.263 20 0 CCADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC(=O)N1CCOCC1)C2 ZINC000660653009 414430065 /nfs/dbraw/zinc/43/00/65/414430065.db2.gz NWWUAORRAYAQGB-HNNXBMFYSA-N 2 2 281.400 0.263 20 0 CCADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC(=O)N1CCOCC1)C2 ZINC000660653009 414430072 /nfs/dbraw/zinc/43/00/72/414430072.db2.gz NWWUAORRAYAQGB-HNNXBMFYSA-N 2 2 281.400 0.263 20 0 CCADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+]([C@H]1CCCNC1=O)C2 ZINC000660659095 414433731 /nfs/dbraw/zinc/43/37/31/414433731.db2.gz KGBPAHQANRIQFJ-JSGCOSHPSA-N 2 2 251.374 0.683 20 0 CCADLP C[N@H+]1CC[C@]2(C1)CCC[NH+]([C@H]1CCCNC1=O)C2 ZINC000660659095 414433734 /nfs/dbraw/zinc/43/37/34/414433734.db2.gz KGBPAHQANRIQFJ-JSGCOSHPSA-N 2 2 251.374 0.683 20 0 CCADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+]([C@H]1CCCNC1=O)C2 ZINC000660659095 414433738 /nfs/dbraw/zinc/43/37/38/414433738.db2.gz KGBPAHQANRIQFJ-JSGCOSHPSA-N 2 2 251.374 0.683 20 0 CCADLP C[NH+]1CC[C@]2(C1)CCC[N@H+]([C@H]1CCCNC1=O)C2 ZINC000660659095 414433741 /nfs/dbraw/zinc/43/37/41/414433741.db2.gz KGBPAHQANRIQFJ-JSGCOSHPSA-N 2 2 251.374 0.683 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCc2c(cnn2C)C1 ZINC000660799465 414483148 /nfs/dbraw/zinc/48/31/48/414483148.db2.gz WENSDHAIUPUHFO-AWEZNQCLSA-N 2 2 280.416 0.869 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCc2c(cnn2C)C1 ZINC000660799465 414483153 /nfs/dbraw/zinc/48/31/53/414483153.db2.gz WENSDHAIUPUHFO-AWEZNQCLSA-N 2 2 280.416 0.869 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCc2c(cnn2C)C1 ZINC000660799465 414483155 /nfs/dbraw/zinc/48/31/55/414483155.db2.gz WENSDHAIUPUHFO-AWEZNQCLSA-N 2 2 280.416 0.869 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCc2c(cnn2C)C1 ZINC000660799465 414483159 /nfs/dbraw/zinc/48/31/59/414483159.db2.gz WENSDHAIUPUHFO-AWEZNQCLSA-N 2 2 280.416 0.869 20 0 CCADLP C[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000660838777 414500812 /nfs/dbraw/zinc/50/08/12/414500812.db2.gz ZFHGDKIKEXVMEX-UONOGXRCSA-N 2 2 296.415 0.197 20 0 CCADLP C[N@H+]1CCC[C@H](NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000660838777 414500815 /nfs/dbraw/zinc/50/08/15/414500815.db2.gz ZFHGDKIKEXVMEX-UONOGXRCSA-N 2 2 296.415 0.197 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](CCF)C2)CC1 ZINC000661697610 414664845 /nfs/dbraw/zinc/66/48/45/414664845.db2.gz RDGRGAPGPSHRCG-CYBMUJFWSA-N 2 2 271.380 0.832 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746842 174391857 /nfs/dbraw/zinc/39/18/57/174391857.db2.gz SSOVUKRAFJFLSK-ZACCUICWSA-N 2 2 268.361 0.047 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746842 174391858 /nfs/dbraw/zinc/39/18/58/174391858.db2.gz SSOVUKRAFJFLSK-ZACCUICWSA-N 2 2 268.361 0.047 20 0 CCADLP C[N@H+](CC(=O)N1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747142 174392646 /nfs/dbraw/zinc/39/26/46/174392646.db2.gz DZUJIDQOWKULOE-FUNVUKJBSA-N 2 2 251.374 0.824 20 0 CCADLP C[N@@H+](CC(=O)N1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747142 174392647 /nfs/dbraw/zinc/39/26/47/174392647.db2.gz DZUJIDQOWKULOE-FUNVUKJBSA-N 2 2 251.374 0.824 20 0 CCADLP Cc1cc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)nc(C)n1 ZINC000662280708 414705011 /nfs/dbraw/zinc/70/50/11/414705011.db2.gz HBPGJXUHXGZMHA-ZDUSSCGKSA-N 2 2 250.346 0.643 20 0 CCADLP Cc1cc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)nc(C)n1 ZINC000662280708 414705012 /nfs/dbraw/zinc/70/50/12/414705012.db2.gz HBPGJXUHXGZMHA-ZDUSSCGKSA-N 2 2 250.346 0.643 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000662278814 414705362 /nfs/dbraw/zinc/70/53/62/414705362.db2.gz MFZFPVUDKQGFIP-UONOGXRCSA-N 2 2 254.374 0.723 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000662278814 414705363 /nfs/dbraw/zinc/70/53/63/414705363.db2.gz MFZFPVUDKQGFIP-UONOGXRCSA-N 2 2 254.374 0.723 20 0 CCADLP Cc1noc(C[N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662285115 414706318 /nfs/dbraw/zinc/70/63/18/414706318.db2.gz XAXFXIQZZUJJAD-SNVBAGLBSA-N 2 2 252.318 0.331 20 0 CCADLP C[NH+](C)CCC[C@@H]1C[N@@H+]([C@H]2CCCNC2=O)CCO1 ZINC000662326218 414710462 /nfs/dbraw/zinc/71/04/62/414710462.db2.gz WTSONFNVHRDEEL-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP C[NH+](C)CCC[C@@H]1C[N@H+]([C@H]2CCCNC2=O)CCO1 ZINC000662326218 414710463 /nfs/dbraw/zinc/71/04/63/414710463.db2.gz WTSONFNVHRDEEL-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662335952 414710879 /nfs/dbraw/zinc/71/08/79/414710879.db2.gz BJAGANUIOQISME-CHWSQXEVSA-N 3 2 292.431 0.346 20 0 CCADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662335952 414710880 /nfs/dbraw/zinc/71/08/80/414710880.db2.gz BJAGANUIOQISME-CHWSQXEVSA-N 3 2 292.431 0.346 20 0 CCADLP O[C@H]1CC[N@@H+](C2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000662155469 414694098 /nfs/dbraw/zinc/69/40/98/414694098.db2.gz JHHGFWKQWUSWQJ-LBPRGKRZSA-N 2 2 250.346 0.441 20 0 CCADLP O[C@H]1CC[N@H+](C2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000662155469 414694099 /nfs/dbraw/zinc/69/40/99/414694099.db2.gz JHHGFWKQWUSWQJ-LBPRGKRZSA-N 2 2 250.346 0.441 20 0 CCADLP CC(C)OC[C@H](O)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662154171 414694483 /nfs/dbraw/zinc/69/44/83/414694483.db2.gz FEDWZHJSGQIDGP-HUUCEWRRSA-N 2 2 286.416 0.303 20 0 CCADLP CC(C)OC[C@H](O)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662154171 414694484 /nfs/dbraw/zinc/69/44/84/414694484.db2.gz FEDWZHJSGQIDGP-HUUCEWRRSA-N 2 2 286.416 0.303 20 0 CCADLP Cn1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1=O ZINC000662161843 414694712 /nfs/dbraw/zinc/69/47/12/414694712.db2.gz XKIVYLMHHXHBAT-HNNXBMFYSA-N 2 2 291.395 0.416 20 0 CCADLP Cn1ccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1=O ZINC000662161843 414694713 /nfs/dbraw/zinc/69/47/13/414694713.db2.gz XKIVYLMHHXHBAT-HNNXBMFYSA-N 2 2 291.395 0.416 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000662380380 414713022 /nfs/dbraw/zinc/71/30/22/414713022.db2.gz KWSFZJRGLJTVBR-NSHDSACASA-N 2 2 250.346 0.762 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662445246 414719182 /nfs/dbraw/zinc/71/91/82/414719182.db2.gz QUKOOUCYGRSBDI-UHFFFAOYSA-N 2 2 256.309 0.953 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000662486462 414722587 /nfs/dbraw/zinc/72/25/87/414722587.db2.gz WMDCWIIEWWNTMU-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000662629155 414734465 /nfs/dbraw/zinc/73/44/65/414734465.db2.gz CLGQHDTZBNGHQS-IJLUTSLNSA-N 2 2 257.378 0.195 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000662629155 414734466 /nfs/dbraw/zinc/73/44/66/414734466.db2.gz CLGQHDTZBNGHQS-IJLUTSLNSA-N 2 2 257.378 0.195 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000662629157 414734494 /nfs/dbraw/zinc/73/44/94/414734494.db2.gz CLGQHDTZBNGHQS-SDDRHHMPSA-N 2 2 257.378 0.195 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000662629157 414734495 /nfs/dbraw/zinc/73/44/95/414734495.db2.gz CLGQHDTZBNGHQS-SDDRHHMPSA-N 2 2 257.378 0.195 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)CC2([NH3+])CCC2)[C@@H](C)CO1 ZINC000662629024 414734653 /nfs/dbraw/zinc/73/46/53/414734653.db2.gz ACZYNNOXGJTHRT-RYUDHWBXSA-N 2 2 269.389 0.483 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)CC2([NH3+])CCC2)[C@@H](C)CO1 ZINC000662629024 414734654 /nfs/dbraw/zinc/73/46/54/414734654.db2.gz ACZYNNOXGJTHRT-RYUDHWBXSA-N 2 2 269.389 0.483 20 0 CCADLP C[C@@H]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)O1 ZINC000662667863 414739206 /nfs/dbraw/zinc/73/92/06/414739206.db2.gz ZITLDJFATALRHC-WOPDTQHZSA-N 2 2 257.378 0.339 20 0 CCADLP COc1cc[nH+]cc1NC(=O)[C@@H]([NH3+])COC(C)C ZINC000662701834 414743273 /nfs/dbraw/zinc/74/32/73/414743273.db2.gz TZLURXNZBHEHRM-VIFPVBQESA-N 2 2 253.302 0.781 20 0 CCADLP C[C@@H](NC(=O)C1([NH3+])CC2(CCC2)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000662720870 414746171 /nfs/dbraw/zinc/74/61/71/414746171.db2.gz MTIJGPBAONENQB-CHWSQXEVSA-N 2 2 295.427 0.873 20 0 CCADLP CCCn1cc[nH+]c1CCCN(C)C(=O)C1(O)C[NH2+]C1 ZINC000662802602 414805408 /nfs/dbraw/zinc/80/54/08/414805408.db2.gz JTXPDJTVUYEKNQ-UHFFFAOYSA-N 2 2 280.372 0.018 20 0 CCADLP CN(CC(C)(C)[NH3+])C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000662844923 414835802 /nfs/dbraw/zinc/83/58/02/414835802.db2.gz IKZGLTJXJJKQHZ-UHFFFAOYSA-N 2 2 264.373 0.958 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)C2([NH3+])CC3(CCC3)C2)[C@@H](C)CO1 ZINC000662858676 414849868 /nfs/dbraw/zinc/84/98/68/414849868.db2.gz HIWZMAMHGVNLEU-STQMWFEESA-N 2 2 295.427 0.873 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)C2([NH3+])CC3(CCC3)C2)[C@@H](C)CO1 ZINC000662858676 414849872 /nfs/dbraw/zinc/84/98/72/414849872.db2.gz HIWZMAMHGVNLEU-STQMWFEESA-N 2 2 295.427 0.873 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@]2(C)CCC[NH2+]C2)[C@H](C)CO1 ZINC000662860199 414852333 /nfs/dbraw/zinc/85/23/33/414852333.db2.gz RGWYYMSKUZUXMT-NFAWXSAZSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@]2(C)CCC[NH2+]C2)[C@H](C)CO1 ZINC000662860199 414852339 /nfs/dbraw/zinc/85/23/39/414852339.db2.gz RGWYYMSKUZUXMT-NFAWXSAZSA-N 2 2 283.416 0.602 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000662969719 414922467 /nfs/dbraw/zinc/92/24/67/414922467.db2.gz PUJXABPJNRKPSB-JTQLQIEISA-N 2 2 250.346 0.486 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H]1CSC[NH2+]1 ZINC000662899240 414880517 /nfs/dbraw/zinc/88/05/17/414880517.db2.gz DUKGQPPCYWSJMW-DTWKUNHWSA-N 2 2 254.359 0.743 20 0 CCADLP C[C@H](NC[C@H](O)C[N@H+](C)C1CC1)c1[nH+]ccn1C ZINC000663380749 415055066 /nfs/dbraw/zinc/05/50/66/415055066.db2.gz ZOWPSKQEWHWDOS-JQWIXIFHSA-N 2 2 252.362 0.526 20 0 CCADLP C[C@H](NC[C@H](O)C[N@@H+](C)C1CC1)c1[nH+]ccn1C ZINC000663380749 415055070 /nfs/dbraw/zinc/05/50/70/415055070.db2.gz ZOWPSKQEWHWDOS-JQWIXIFHSA-N 2 2 252.362 0.526 20 0 CCADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)NC1CC1 ZINC000663305369 415040308 /nfs/dbraw/zinc/04/03/08/415040308.db2.gz YMVVIAZPVRORAD-RISCZKNCSA-N 2 2 281.400 0.496 20 0 CCADLP CN(CC1C[NH+](C)C1)c1nc(N2CCOCC2)cc[nH+]1 ZINC000664329078 415345038 /nfs/dbraw/zinc/34/50/38/415345038.db2.gz FDCYQUUKKFSIGU-UHFFFAOYSA-N 2 2 277.372 0.311 20 0 CCADLP CN(CC1C[NH+](C)C1)c1cc(-n2cc[nH+]c2)ncn1 ZINC000664332398 415347939 /nfs/dbraw/zinc/34/79/39/415347939.db2.gz YDISNRBMEQASOD-UHFFFAOYSA-N 2 2 258.329 0.660 20 0 CCADLP CC(=O)c1c[nH]c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000664332269 415348576 /nfs/dbraw/zinc/34/85/76/415348576.db2.gz COMJVGFGEFCWLF-UHFFFAOYSA-N 2 2 294.399 0.831 20 0 CCADLP CC(=O)c1c[nH]c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000664332269 415348582 /nfs/dbraw/zinc/34/85/82/415348582.db2.gz COMJVGFGEFCWLF-UHFFFAOYSA-N 2 2 294.399 0.831 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC(C)(C)[NH+](C)C ZINC000665359062 415622806 /nfs/dbraw/zinc/62/28/06/415622806.db2.gz WXRALGWTZJTWJR-GHMZBOCLSA-N 2 2 264.373 0.980 20 0 CCADLP NC(=O)c1csc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000665273415 415583201 /nfs/dbraw/zinc/58/32/01/415583201.db2.gz WKXXSVNLDGYLEP-YUMQZZPRSA-N 2 2 254.359 0.602 20 0 CCADLP CCS(=O)(=O)C1(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000665275219 415584567 /nfs/dbraw/zinc/58/45/67/415584567.db2.gz FNERFJRDWPTPJY-WDEREUQCSA-N 2 2 260.403 0.541 20 0 CCADLP CC[NH+]1CCC([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000665289564 415586992 /nfs/dbraw/zinc/58/69/92/415586992.db2.gz RKYMCOVGNIRHTH-UHFFFAOYSA-N 3 2 265.361 0.215 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)c1nccn1C ZINC000665283508 415587264 /nfs/dbraw/zinc/58/72/64/415587264.db2.gz PBWQIYFZNWSGLH-IJLUTSLNSA-N 2 2 252.362 0.838 20 0 CCADLP C[C@H](C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+])S(C)(=O)=O ZINC000665299128 415590287 /nfs/dbraw/zinc/59/02/87/415590287.db2.gz HEQJJIVZMPKOTG-DYEKYZERSA-N 2 2 284.425 0.968 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NC(=O)NCC(C)C)C1 ZINC000071146803 176042923 /nfs/dbraw/zinc/04/29/23/176042923.db2.gz KBFBBQNLIYEHLK-NSHDSACASA-N 2 2 270.377 0.010 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NCC(C)C)C1 ZINC000071146803 176042925 /nfs/dbraw/zinc/04/29/25/176042925.db2.gz KBFBBQNLIYEHLK-NSHDSACASA-N 2 2 270.377 0.010 20 0 CCADLP CC(C)C[NH+]1CCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC000665530988 416450376 /nfs/dbraw/zinc/45/03/76/416450376.db2.gz KBWOBNNGGYWFOA-UHFFFAOYSA-N 2 2 253.390 0.881 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc(C)nn1C ZINC000417904617 227128479 /nfs/dbraw/zinc/12/84/79/227128479.db2.gz WERQAAUYQMOLSC-CYBMUJFWSA-N 2 2 266.389 0.929 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc(C)nn1C ZINC000417904617 227128485 /nfs/dbraw/zinc/12/84/85/227128485.db2.gz WERQAAUYQMOLSC-CYBMUJFWSA-N 2 2 266.389 0.929 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCc3ccccc3C2)CC1 ZINC000049899718 544436610 /nfs/dbraw/zinc/43/66/10/544436610.db2.gz OVHRJRRFAUXOGE-MRXNPFEDSA-N 2 2 287.407 0.908 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)Cc2cn[nH]c2)CC1 ZINC000085825577 544495959 /nfs/dbraw/zinc/49/59/59/544495959.db2.gz YWNWGTRXBHJMJX-LBPRGKRZSA-N 2 2 279.388 0.394 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2cn[nH]c2)CC1 ZINC000085825577 544495963 /nfs/dbraw/zinc/49/59/63/544495963.db2.gz YWNWGTRXBHJMJX-LBPRGKRZSA-N 2 2 279.388 0.394 20 0 CCADLP O=C(C[C@H]1CC[NH2+]C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000089717644 544516318 /nfs/dbraw/zinc/51/63/18/544516318.db2.gz ZOBLJSAUGZQGBO-CYBMUJFWSA-N 2 2 274.368 0.730 20 0 CCADLP Cc1nc(N2CC[NH+](C[C@H]3CCCO3)CC2)nc(N)[nH+]1 ZINC000631038410 419476632 /nfs/dbraw/zinc/47/66/32/419476632.db2.gz VPRKPGXEJHCBIU-LLVKDONJSA-N 2 2 278.360 0.063 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc3c2CC[NH2+]C3)C1 ZINC000124348591 544589790 /nfs/dbraw/zinc/58/97/90/544589790.db2.gz INBPDOJTFULOLK-ZDUSSCGKSA-N 2 2 289.379 0.393 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)c2cccc3c2CC[NH2+]C3)C1 ZINC000124348591 544589792 /nfs/dbraw/zinc/58/97/92/544589792.db2.gz INBPDOJTFULOLK-ZDUSSCGKSA-N 2 2 289.379 0.393 20 0 CCADLP C[N@H+](C[C@H](O)COCc1ccccc1)C[C@H]1C[NH2+]CCO1 ZINC000126757669 544598507 /nfs/dbraw/zinc/59/85/07/544598507.db2.gz XSXCFWFCPCXPFA-JKSUJKDBSA-N 2 2 294.395 0.484 20 0 CCADLP C[N@@H+](C[C@H](O)COCc1ccccc1)C[C@H]1C[NH2+]CCO1 ZINC000126757669 544598511 /nfs/dbraw/zinc/59/85/11/544598511.db2.gz XSXCFWFCPCXPFA-JKSUJKDBSA-N 2 2 294.395 0.484 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000134974083 544633665 /nfs/dbraw/zinc/63/36/65/544633665.db2.gz BLEFGIOZGHTLHH-RYUDHWBXSA-N 2 2 257.378 0.164 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000134974083 544633670 /nfs/dbraw/zinc/63/36/70/544633670.db2.gz BLEFGIOZGHTLHH-RYUDHWBXSA-N 2 2 257.378 0.164 20 0 CCADLP CN(C)C(=O)N1CCC([NH2+][C@H]2CCC[N@H+](C)C2)CC1 ZINC000135122514 544634821 /nfs/dbraw/zinc/63/48/21/544634821.db2.gz KAKPDEPNMMBIII-ZDUSSCGKSA-N 2 2 268.405 0.816 20 0 CCADLP CN(C)C(=O)N1CCC([NH2+][C@H]2CCC[N@@H+](C)C2)CC1 ZINC000135122514 544634823 /nfs/dbraw/zinc/63/48/23/544634823.db2.gz KAKPDEPNMMBIII-ZDUSSCGKSA-N 2 2 268.405 0.816 20 0 CCADLP CC[C@@H](COC)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000152948231 544662439 /nfs/dbraw/zinc/66/24/39/544662439.db2.gz OQZVSZRCAQXERM-HNNXBMFYSA-N 2 2 299.459 0.798 20 0 CCADLP CC[C@@H](COC)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000152948231 544662444 /nfs/dbraw/zinc/66/24/44/544662444.db2.gz OQZVSZRCAQXERM-HNNXBMFYSA-N 2 2 299.459 0.798 20 0 CCADLP C[C@@H](C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)[NH+](C)C ZINC000154519027 544670696 /nfs/dbraw/zinc/67/06/96/544670696.db2.gz UBZOPYNHWUDVMX-RYUDHWBXSA-N 2 2 262.357 0.727 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000193372742 544805221 /nfs/dbraw/zinc/80/52/21/544805221.db2.gz JQZCUCKVXSCTST-AWEZNQCLSA-N 2 2 294.399 0.815 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000193372742 544805225 /nfs/dbraw/zinc/80/52/25/544805225.db2.gz JQZCUCKVXSCTST-AWEZNQCLSA-N 2 2 294.399 0.815 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000193372742 544805231 /nfs/dbraw/zinc/80/52/31/544805231.db2.gz JQZCUCKVXSCTST-AWEZNQCLSA-N 2 2 294.399 0.815 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000193372742 544805237 /nfs/dbraw/zinc/80/52/37/544805237.db2.gz JQZCUCKVXSCTST-AWEZNQCLSA-N 2 2 294.399 0.815 20 0 CCADLP COc1cc[nH+]c(CN2C[C@H]3C[NH2+]C[C@H]3C2)c1OC ZINC000232198014 544862525 /nfs/dbraw/zinc/86/25/25/544862525.db2.gz RDPWMFRAJPALIQ-PHIMTYICSA-N 2 2 263.341 0.750 20 0 CCADLP CS(=O)(=O)CCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250927235 544924831 /nfs/dbraw/zinc/92/48/31/544924831.db2.gz ATYBDFPGJSQACW-CHWSQXEVSA-N 2 2 274.430 0.885 20 0 CCADLP CS(=O)(=O)CCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250927235 544924833 /nfs/dbraw/zinc/92/48/33/544924833.db2.gz ATYBDFPGJSQACW-CHWSQXEVSA-N 2 2 274.430 0.885 20 0 CCADLP [NH3+]CC[N@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccccc1 ZINC000262038201 544938377 /nfs/dbraw/zinc/93/83/77/544938377.db2.gz HLBXSOMUVBNVCN-UHFFFAOYSA-N 3 2 290.411 0.269 20 0 CCADLP [NH3+]CC[N@@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccccc1 ZINC000262038201 544938379 /nfs/dbraw/zinc/93/83/79/544938379.db2.gz HLBXSOMUVBNVCN-UHFFFAOYSA-N 3 2 290.411 0.269 20 0 CCADLP CC[N@@H+]1CCCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000280629208 544959113 /nfs/dbraw/zinc/95/91/13/544959113.db2.gz XEJKFKWKXTXBMY-UHFFFAOYSA-N 2 2 250.346 0.897 20 0 CCADLP CC[N@H+]1CCCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000280629208 544959124 /nfs/dbraw/zinc/95/91/24/544959124.db2.gz XEJKFKWKXTXBMY-UHFFFAOYSA-N 2 2 250.346 0.897 20 0 CCADLP CC[N@@H+]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC000288635531 544967876 /nfs/dbraw/zinc/96/78/76/544967876.db2.gz YTOWRUSCULNWOI-LLVKDONJSA-N 2 2 250.346 0.895 20 0 CCADLP CC[N@H+]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC000288635531 544967880 /nfs/dbraw/zinc/96/78/80/544967880.db2.gz YTOWRUSCULNWOI-LLVKDONJSA-N 2 2 250.346 0.895 20 0 CCADLP CC[N@@H+]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000288635531 544967883 /nfs/dbraw/zinc/96/78/83/544967883.db2.gz YTOWRUSCULNWOI-LLVKDONJSA-N 2 2 250.346 0.895 20 0 CCADLP CC[N@H+]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000288635531 544967884 /nfs/dbraw/zinc/96/78/84/544967884.db2.gz YTOWRUSCULNWOI-LLVKDONJSA-N 2 2 250.346 0.895 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@](C)(CO)c1ccccc1)C1CC1 ZINC000312355837 545013318 /nfs/dbraw/zinc/01/33/18/545013318.db2.gz KOBSRAWJEMOGRK-JKSUJKDBSA-N 2 2 278.396 0.939 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@](C)(CO)c1ccccc1)C1CC1 ZINC000312355837 545013319 /nfs/dbraw/zinc/01/33/19/545013319.db2.gz KOBSRAWJEMOGRK-JKSUJKDBSA-N 2 2 278.396 0.939 20 0 CCADLP Cn1nnnc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000329772758 545025977 /nfs/dbraw/zinc/02/59/77/545025977.db2.gz KXRUMJDDWMEUNV-UHFFFAOYSA-N 2 2 294.403 0.287 20 0 CCADLP C[NH+](C)CCn1ccc(=NC(=O)CCc2c[nH+]c[nH]2)[nH]1 ZINC000352797917 545070392 /nfs/dbraw/zinc/07/03/92/545070392.db2.gz TZHYNVYJNDJFED-UHFFFAOYSA-N 2 2 276.344 0.161 20 0 CCADLP C[NH+](C)CCn1ccc(=NC(=O)CCc2c[nH]c[nH+]2)[nH]1 ZINC000352797917 545070393 /nfs/dbraw/zinc/07/03/93/545070393.db2.gz TZHYNVYJNDJFED-UHFFFAOYSA-N 2 2 276.344 0.161 20 0 CCADLP COc1c(C)c[nH+]c(C[N@H+](CCO)C[C@@H](C)O)c1C ZINC000289362135 274087672 /nfs/dbraw/zinc/08/76/72/274087672.db2.gz AIXSBYLEWXYMDC-LLVKDONJSA-N 2 2 268.357 0.882 20 0 CCADLP COc1c(C)c[nH+]c(C[N@@H+](CCO)C[C@@H](C)O)c1C ZINC000289362135 274087674 /nfs/dbraw/zinc/08/76/74/274087674.db2.gz AIXSBYLEWXYMDC-LLVKDONJSA-N 2 2 268.357 0.882 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2CC[N@H+](C)C2)n1C ZINC000523694876 269787211 /nfs/dbraw/zinc/78/72/11/269787211.db2.gz RAAXKNTZSYXUIG-SNVBAGLBSA-N 2 2 265.361 0.054 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1C ZINC000523694876 269787212 /nfs/dbraw/zinc/78/72/12/269787212.db2.gz RAAXKNTZSYXUIG-SNVBAGLBSA-N 2 2 265.361 0.054 20 0 CCADLP CC[NH+](CC)CCC[N@H+](C)CC(=O)N1CCOCC1 ZINC000171931284 335085558 /nfs/dbraw/zinc/08/55/58/335085558.db2.gz XASAAGGTTKCERH-UHFFFAOYSA-N 2 2 271.405 0.509 20 0 CCADLP CC[NH+](CC)CCC[N@@H+](C)CC(=O)N1CCOCC1 ZINC000171931284 335085559 /nfs/dbraw/zinc/08/55/59/335085559.db2.gz XASAAGGTTKCERH-UHFFFAOYSA-N 2 2 271.405 0.509 20 0 CCADLP C[C@H](CC(=O)NCC[C@H]1CC[NH2+]C1)n1cc[nH+]c1 ZINC000519172982 265357437 /nfs/dbraw/zinc/35/74/37/265357437.db2.gz AZAXREWXZZZKSX-VXGBXAGGSA-N 2 2 250.346 0.950 20 0 CCADLP c1cc2c(nc[nH+]c2N2CC[N@H+]3CCOC[C@@H]3C2)[nH]1 ZINC000371804732 275065195 /nfs/dbraw/zinc/06/51/95/275065195.db2.gz ZMYAJEFGCKKZQR-JTQLQIEISA-N 2 2 259.313 0.479 20 0 CCADLP c1cc2c(nc[nH+]c2N2CC[N@@H+]3CCOC[C@@H]3C2)[nH]1 ZINC000371804732 275065196 /nfs/dbraw/zinc/06/51/96/275065196.db2.gz ZMYAJEFGCKKZQR-JTQLQIEISA-N 2 2 259.313 0.479 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@H]1CC[NH2+]CC1(F)F)[NH+](C)C ZINC000449656387 275695104 /nfs/dbraw/zinc/69/51/04/275695104.db2.gz KQGDJQVQYYVCSY-GHMZBOCLSA-N 2 2 277.359 0.934 20 0 CCADLP CCN1CCN(C(=O)/C=C\C[NH+](C)C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000492721683 276188429 /nfs/dbraw/zinc/18/84/29/276188429.db2.gz SPUGXDFUFJDRIH-CFHLNLSMSA-N 2 2 291.399 0.733 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@]2(CC[NH+](C)C2)C1 ZINC000346301821 276204514 /nfs/dbraw/zinc/20/45/14/276204514.db2.gz WACFJZGYUMJRFC-ZFWWWQNUSA-N 2 2 281.400 0.261 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@]2(CC[NH+](C)C2)C1 ZINC000346301821 276204516 /nfs/dbraw/zinc/20/45/16/276204516.db2.gz WACFJZGYUMJRFC-ZFWWWQNUSA-N 2 2 281.400 0.261 20 0 CCADLP CC[NH+]1CCOC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000346301821 276204517 /nfs/dbraw/zinc/20/45/17/276204517.db2.gz WACFJZGYUMJRFC-ZFWWWQNUSA-N 2 2 281.400 0.261 20 0 CCADLP CC[NH+]1CCOC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000346301821 276204518 /nfs/dbraw/zinc/20/45/18/276204518.db2.gz WACFJZGYUMJRFC-ZFWWWQNUSA-N 2 2 281.400 0.261 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000422794551 276235599 /nfs/dbraw/zinc/23/55/99/276235599.db2.gz YYAGDEHEFZPEIY-QWHCGFSZSA-N 2 2 269.389 0.356 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000422794551 276235601 /nfs/dbraw/zinc/23/56/01/276235601.db2.gz YYAGDEHEFZPEIY-QWHCGFSZSA-N 2 2 269.389 0.356 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377195024 276292034 /nfs/dbraw/zinc/29/20/34/276292034.db2.gz CKWNXLJKWSPDEW-CJNGLKHVSA-N 3 2 296.459 0.789 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377195024 276292035 /nfs/dbraw/zinc/29/20/35/276292035.db2.gz CKWNXLJKWSPDEW-CJNGLKHVSA-N 3 2 296.459 0.789 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCc1nccs1 ZINC000515032776 276305959 /nfs/dbraw/zinc/30/59/59/276305959.db2.gz SBYXZQROTGCPTN-LLVKDONJSA-N 2 2 257.403 0.930 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCc1nccs1 ZINC000515032776 276305960 /nfs/dbraw/zinc/30/59/60/276305960.db2.gz SBYXZQROTGCPTN-LLVKDONJSA-N 2 2 257.403 0.930 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCc1nccs1 ZINC000515032776 276305961 /nfs/dbraw/zinc/30/59/61/276305961.db2.gz SBYXZQROTGCPTN-LLVKDONJSA-N 2 2 257.403 0.930 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCc1nccs1 ZINC000515032776 276305962 /nfs/dbraw/zinc/30/59/62/276305962.db2.gz SBYXZQROTGCPTN-LLVKDONJSA-N 2 2 257.403 0.930 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425349117 276389266 /nfs/dbraw/zinc/38/92/66/276389266.db2.gz KTDPORNPVCOTAB-JTQLQIEISA-N 2 2 288.417 0.399 20 0 CCADLP CCOC1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000381287213 545084661 /nfs/dbraw/zinc/08/46/61/545084661.db2.gz WQMSELVWLLJAEC-CYBMUJFWSA-N 2 2 256.390 0.942 20 0 CCADLP CCOC1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000381287213 545084660 /nfs/dbraw/zinc/08/46/60/545084660.db2.gz WQMSELVWLLJAEC-CYBMUJFWSA-N 2 2 256.390 0.942 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245448189 277004234 /nfs/dbraw/zinc/00/42/34/277004234.db2.gz MRORYFFQVIOGDY-OLZOCXBDSA-N 2 2 296.415 0.638 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245448189 277004236 /nfs/dbraw/zinc/00/42/36/277004236.db2.gz MRORYFFQVIOGDY-OLZOCXBDSA-N 2 2 296.415 0.638 20 0 CCADLP CC(=O)NCCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129493943 277030655 /nfs/dbraw/zinc/03/06/55/277030655.db2.gz HOLNVJWTGISAKV-AWEZNQCLSA-N 2 2 269.389 0.167 20 0 CCADLP CC(=O)NCCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129493943 277030656 /nfs/dbraw/zinc/03/06/56/277030656.db2.gz HOLNVJWTGISAKV-AWEZNQCLSA-N 2 2 269.389 0.167 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000262010996 277104539 /nfs/dbraw/zinc/10/45/39/277104539.db2.gz VAXWUXSBONMNRT-AVGNSLFASA-N 2 2 270.373 0.638 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000262010996 277104540 /nfs/dbraw/zinc/10/45/40/277104540.db2.gz VAXWUXSBONMNRT-AVGNSLFASA-N 2 2 270.373 0.638 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000358250189 277183992 /nfs/dbraw/zinc/18/39/92/277183992.db2.gz LBRFORVYALAAAF-RDBSUJKOSA-N 3 2 253.390 0.269 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000358250189 277183993 /nfs/dbraw/zinc/18/39/93/277183993.db2.gz LBRFORVYALAAAF-RDBSUJKOSA-N 3 2 253.390 0.269 20 0 CCADLP C[NH+]1CC[C@](O)(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000358250189 277183994 /nfs/dbraw/zinc/18/39/94/277183994.db2.gz LBRFORVYALAAAF-RDBSUJKOSA-N 3 2 253.390 0.269 20 0 CCADLP C[NH+]1CC[C@](O)(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000358250189 277183995 /nfs/dbraw/zinc/18/39/95/277183995.db2.gz LBRFORVYALAAAF-RDBSUJKOSA-N 3 2 253.390 0.269 20 0 CCADLP C[NH2+]CCC[N@H+](C)[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000420384620 277267485 /nfs/dbraw/zinc/26/74/85/277267485.db2.gz DSMGLIBDFZWDIB-GFCCVEGCSA-N 2 2 279.388 0.375 20 0 CCADLP C[NH2+]CCC[N@@H+](C)[C@@H]1CCN(c2cc(C)nn2C)C1=O ZINC000420384620 277267486 /nfs/dbraw/zinc/26/74/86/277267486.db2.gz DSMGLIBDFZWDIB-GFCCVEGCSA-N 2 2 279.388 0.375 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)NCc1ccc[nH+]c1N(C)C ZINC000262756637 277328672 /nfs/dbraw/zinc/32/86/72/277328672.db2.gz DNOBUAPOEQYHEJ-NSHDSACASA-N 2 2 266.345 0.128 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCC(=O)N1CCCCC1 ZINC000134202653 277592384 /nfs/dbraw/zinc/59/23/84/277592384.db2.gz KNTRLBZJGBAZSL-KBPBESRZSA-N 2 2 283.416 0.746 20 0 CCADLP COC[C@](C)(CC(=O)OC)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425335679 277607871 /nfs/dbraw/zinc/60/78/71/277607871.db2.gz IKXQPHWAJOVPFO-AWEZNQCLSA-N 2 2 298.387 0.544 20 0 CCADLP CC(C)[C@@H](C[NH3+])C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976545 277737158 /nfs/dbraw/zinc/73/71/58/277737158.db2.gz RWMSTZLOUDUBLZ-CHWSQXEVSA-N 2 2 269.389 0.150 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[N@H+]1C ZINC000356847985 278090504 /nfs/dbraw/zinc/09/05/04/278090504.db2.gz KFKRXWSLIFDTDR-FRRDWIJNSA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1C ZINC000356847985 278090506 /nfs/dbraw/zinc/09/05/06/278090506.db2.gz KFKRXWSLIFDTDR-FRRDWIJNSA-N 2 2 276.384 0.997 20 0 CCADLP CC(C)(C(=O)N1CC[C@H]([NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000366754783 278267378 /nfs/dbraw/zinc/26/73/78/278267378.db2.gz QWCJZQLVJHWIJV-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP CC1(C)CN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC[NH2+]1 ZINC000417430112 278302295 /nfs/dbraw/zinc/30/22/95/278302295.db2.gz WSSFWINJUWPYMY-UHFFFAOYSA-N 2 2 298.431 0.491 20 0 CCADLP CC1(C)CN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC[NH2+]1 ZINC000417430112 278302296 /nfs/dbraw/zinc/30/22/96/278302296.db2.gz WSSFWINJUWPYMY-UHFFFAOYSA-N 2 2 298.431 0.491 20 0 CCADLP CC(C)(CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000070577365 278619489 /nfs/dbraw/zinc/61/94/89/278619489.db2.gz VOGFUITYCSIZOJ-STQMWFEESA-N 2 2 283.416 0.731 20 0 CCADLP CCCC[C@H]([NH3+])C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000154597399 278738396 /nfs/dbraw/zinc/73/83/96/278738396.db2.gz GFMNAXKMQWJZCC-HZSPNIEDSA-N 2 2 283.416 0.683 20 0 CCADLP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1=O ZINC000422919523 278938099 /nfs/dbraw/zinc/93/80/99/278938099.db2.gz JWEFAHXJKDVHCC-KVSVUVNWSA-N 2 2 251.374 0.583 20 0 CCADLP C[C@@]1(F)C[NH2+]CCN(C(=O)c2ccc(C[NH3+])o2)C1 ZINC000335342631 279166976 /nfs/dbraw/zinc/16/69/76/279166976.db2.gz YERJCGZPOWNZGP-GFCCVEGCSA-N 2 2 255.293 0.512 20 0 CCADLP C[C@H](C(=O)N1CCCc2ccccc21)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420349791 279196591 /nfs/dbraw/zinc/19/65/91/279196591.db2.gz DUFHLYRULCDCMV-TZMCWYRMSA-N 2 2 291.395 0.606 20 0 CCADLP C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420349791 279196595 /nfs/dbraw/zinc/19/65/95/279196595.db2.gz DUFHLYRULCDCMV-TZMCWYRMSA-N 2 2 291.395 0.606 20 0 CCADLP CCN1C(=O)[C@H]2C[N@H+](CC[C@H]3CCC[NH+]3C)CCN2C1=O ZINC000363459216 279252812 /nfs/dbraw/zinc/25/28/12/279252812.db2.gz IPOCWCADIUNJFV-CHWSQXEVSA-N 2 2 294.399 0.439 20 0 CCADLP CCN1C(=O)[C@H]2C[N@@H+](CC[C@H]3CCC[NH+]3C)CCN2C1=O ZINC000363459216 279252813 /nfs/dbraw/zinc/25/28/13/279252813.db2.gz IPOCWCADIUNJFV-CHWSQXEVSA-N 2 2 294.399 0.439 20 0 CCADLP CCN1C(=O)[C@H]2C[NH+](CC[C@H]3CCC[N@@H+]3C)CCN2C1=O ZINC000363459216 279252814 /nfs/dbraw/zinc/25/28/14/279252814.db2.gz IPOCWCADIUNJFV-CHWSQXEVSA-N 2 2 294.399 0.439 20 0 CCADLP CCN1C(=O)[C@H]2C[NH+](CC[C@H]3CCC[N@H+]3C)CCN2C1=O ZINC000363459216 279252815 /nfs/dbraw/zinc/25/28/15/279252815.db2.gz IPOCWCADIUNJFV-CHWSQXEVSA-N 2 2 294.399 0.439 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000370519307 279347839 /nfs/dbraw/zinc/34/78/39/279347839.db2.gz WAMHQTIIQFZKBP-OAHLLOKOSA-N 2 2 295.427 0.794 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000370519307 279347841 /nfs/dbraw/zinc/34/78/41/279347841.db2.gz WAMHQTIIQFZKBP-OAHLLOKOSA-N 2 2 295.427 0.794 20 0 CCADLP C[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)C[C@H](C(N)=O)O1 ZINC000351735838 288181728 /nfs/dbraw/zinc/18/17/28/288181728.db2.gz CJHBGTFTJHKNLB-FRRDWIJNSA-N 2 2 269.389 0.435 20 0 CCADLP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)C[C@H](C(N)=O)O1 ZINC000351735838 288181730 /nfs/dbraw/zinc/18/17/30/288181730.db2.gz CJHBGTFTJHKNLB-FRRDWIJNSA-N 2 2 269.389 0.435 20 0 CCADLP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)C[C@H](C(N)=O)O1 ZINC000351735838 288181732 /nfs/dbraw/zinc/18/17/32/288181732.db2.gz CJHBGTFTJHKNLB-FRRDWIJNSA-N 2 2 269.389 0.435 20 0 CCADLP C[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)C[C@H](C(N)=O)O1 ZINC000351735838 288181724 /nfs/dbraw/zinc/18/17/24/288181724.db2.gz CJHBGTFTJHKNLB-FRRDWIJNSA-N 2 2 269.389 0.435 20 0 CCADLP CC[C@@H](CO)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369373304 280149410 /nfs/dbraw/zinc/14/94/10/280149410.db2.gz OTHJTFBVBILCEN-QWHCGFSZSA-N 2 2 298.431 0.225 20 0 CCADLP CC[C@@H](CO)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369373304 280149411 /nfs/dbraw/zinc/14/94/11/280149411.db2.gz OTHJTFBVBILCEN-QWHCGFSZSA-N 2 2 298.431 0.225 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000178861414 280273395 /nfs/dbraw/zinc/27/33/95/280273395.db2.gz FWQYWEVDCWQMPJ-UPJWGTAASA-N 2 2 269.389 0.149 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000418416069 280283946 /nfs/dbraw/zinc/28/39/46/280283946.db2.gz VITVNSNVGYFURM-CHWSQXEVSA-N 2 2 286.420 0.332 20 0 CCADLP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000423390788 280397034 /nfs/dbraw/zinc/39/70/34/280397034.db2.gz KMFMEEJQJAJVFI-QWRGUYRKSA-N 2 2 285.413 0.949 20 0 CCADLP CC[C@H](C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C)[NH+](C)C ZINC000342255907 280671462 /nfs/dbraw/zinc/67/14/62/280671462.db2.gz VKBYCQCPWAKQPS-MELADBBJSA-N 2 2 283.416 0.648 20 0 CCADLP C[NH+](C)C/C=C\C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000492862033 282021939 /nfs/dbraw/zinc/02/19/39/282021939.db2.gz IGOQYCYXLMCHCD-AIMRDXAKSA-N 2 2 267.373 0.036 20 0 CCADLP C[NH+](C)C/C=C\C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000492862033 282021940 /nfs/dbraw/zinc/02/19/40/282021940.db2.gz IGOQYCYXLMCHCD-AIMRDXAKSA-N 2 2 267.373 0.036 20 0 CCADLP C[NH+](C)C1(CNC(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000416307912 289043983 /nfs/dbraw/zinc/04/39/83/289043983.db2.gz NGZMXGIPSPWROO-UHFFFAOYSA-N 2 2 281.400 0.452 20 0 CCADLP C[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)[NH+]1CCSCC1 ZINC000421713242 289252512 /nfs/dbraw/zinc/25/25/12/289252512.db2.gz SFSLWCPVLBMWJF-OLZOCXBDSA-N 2 2 285.457 0.976 20 0 CCADLP C[C@H](C(=O)N(C)C[C@@H]1CCC[N@H+]1C)[NH+]1CCSCC1 ZINC000421713242 289252513 /nfs/dbraw/zinc/25/25/13/289252513.db2.gz SFSLWCPVLBMWJF-OLZOCXBDSA-N 2 2 285.457 0.976 20 0 CCADLP C[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)C[C@@H](C(N)=O)O1 ZINC000351735837 297008748 /nfs/dbraw/zinc/00/87/48/297008748.db2.gz CJHBGTFTJHKNLB-AGIUHOORSA-N 2 2 269.389 0.435 20 0 CCADLP C[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)C[C@@H](C(N)=O)O1 ZINC000351735837 297008750 /nfs/dbraw/zinc/00/87/50/297008750.db2.gz CJHBGTFTJHKNLB-AGIUHOORSA-N 2 2 269.389 0.435 20 0 CCADLP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)C[C@@H](C(N)=O)O1 ZINC000351735837 297008753 /nfs/dbraw/zinc/00/87/53/297008753.db2.gz CJHBGTFTJHKNLB-AGIUHOORSA-N 2 2 269.389 0.435 20 0 CCADLP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)C[C@@H](C(N)=O)O1 ZINC000351735837 297008756 /nfs/dbraw/zinc/00/87/56/297008756.db2.gz CJHBGTFTJHKNLB-AGIUHOORSA-N 2 2 269.389 0.435 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@@H](C2CC2)O1 ZINC000352364622 297022461 /nfs/dbraw/zinc/02/24/61/297022461.db2.gz GVTNRRFBLKSRBK-DFBGVHRSSA-N 2 2 268.401 0.941 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@@H](C2CC2)O1 ZINC000352364622 297022464 /nfs/dbraw/zinc/02/24/64/297022464.db2.gz GVTNRRFBLKSRBK-DFBGVHRSSA-N 2 2 268.401 0.941 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)C[C@@H](C2CC2)O1 ZINC000352364622 297022466 /nfs/dbraw/zinc/02/24/66/297022466.db2.gz GVTNRRFBLKSRBK-DFBGVHRSSA-N 2 2 268.401 0.941 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C[C@@H](C2CC2)O1 ZINC000352364622 297022467 /nfs/dbraw/zinc/02/24/67/297022467.db2.gz GVTNRRFBLKSRBK-DFBGVHRSSA-N 2 2 268.401 0.941 20 0 CCADLP CO[C@H](C)C[N@H+](C)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496559453 294266117 /nfs/dbraw/zinc/26/61/17/294266117.db2.gz QINOAYAPMCNIKF-IUODEOHRSA-N 2 2 297.399 0.827 20 0 CCADLP CO[C@H](C)C[N@@H+](C)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496559453 294266118 /nfs/dbraw/zinc/26/61/18/294266118.db2.gz QINOAYAPMCNIKF-IUODEOHRSA-N 2 2 297.399 0.827 20 0 CCADLP [NH3+]CCCC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000237934917 295227432 /nfs/dbraw/zinc/22/74/32/295227432.db2.gz LIEWVKDYKQEISI-OAHLLOKOSA-N 2 2 291.395 0.915 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCOC[C@@H]1C ZINC000394130097 545087913 /nfs/dbraw/zinc/08/79/13/545087913.db2.gz LODZDHSSSYQRCG-STQMWFEESA-N 2 2 260.378 0.036 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCOC[C@@H]1C ZINC000394130097 545087914 /nfs/dbraw/zinc/08/79/14/545087914.db2.gz LODZDHSSSYQRCG-STQMWFEESA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCOC[C@@H]1C ZINC000394130097 545087915 /nfs/dbraw/zinc/08/79/15/545087915.db2.gz LODZDHSSSYQRCG-STQMWFEESA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCOC[C@@H]1C ZINC000394130097 545087916 /nfs/dbraw/zinc/08/79/16/545087916.db2.gz LODZDHSSSYQRCG-STQMWFEESA-N 2 2 260.378 0.036 20 0 CCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261601771 298120299 /nfs/dbraw/zinc/12/02/99/298120299.db2.gz AIOQOOHXPTWYNC-QMTHXVAHSA-N 2 2 284.404 0.670 20 0 CCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261601771 298120301 /nfs/dbraw/zinc/12/03/01/298120301.db2.gz AIOQOOHXPTWYNC-QMTHXVAHSA-N 2 2 284.404 0.670 20 0 CCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360567694 298120685 /nfs/dbraw/zinc/12/06/85/298120685.db2.gz GWAIHDFSAAWWIK-ABAIWWIYSA-N 2 2 296.415 0.685 20 0 CCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360567694 298120686 /nfs/dbraw/zinc/12/06/86/298120686.db2.gz GWAIHDFSAAWWIK-ABAIWWIYSA-N 2 2 296.415 0.685 20 0 CCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359309818 298121564 /nfs/dbraw/zinc/12/15/64/298121564.db2.gz QEBIBBVFCTUESS-VWYCJHECSA-N 2 2 282.388 0.150 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246903938 298133755 /nfs/dbraw/zinc/13/37/55/298133755.db2.gz RPGBNZVDESPIGN-NTZNESFSSA-N 2 2 294.399 0.519 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246903938 298133757 /nfs/dbraw/zinc/13/37/57/298133757.db2.gz RPGBNZVDESPIGN-NTZNESFSSA-N 2 2 294.399 0.519 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246903938 298133759 /nfs/dbraw/zinc/13/37/59/298133759.db2.gz RPGBNZVDESPIGN-NTZNESFSSA-N 2 2 294.399 0.519 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246903938 298133761 /nfs/dbraw/zinc/13/37/61/298133761.db2.gz RPGBNZVDESPIGN-NTZNESFSSA-N 2 2 294.399 0.519 20 0 CCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC000424287071 303453813 /nfs/dbraw/zinc/45/38/13/303453813.db2.gz IJGBMFKAUSSVEZ-IJLUTSLNSA-N 2 2 255.362 0.141 20 0 CCADLP [NH3+]CCC1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000583505284 328587230 /nfs/dbraw/zinc/58/72/30/328587230.db2.gz ZDTCZKMLWKSPRL-CYBMUJFWSA-N 2 2 291.399 0.968 20 0 CCADLP C[C@@H]1CN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)C[C@@H](C)[NH2+]1 ZINC000565832027 327030683 /nfs/dbraw/zinc/03/06/83/327030683.db2.gz NFICKWNPKBQZAP-MXWKQRLJSA-N 2 2 277.372 0.309 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CC(C)(C)CCO)C[C@H](C)O1 ZINC000584172831 327057483 /nfs/dbraw/zinc/05/74/83/327057483.db2.gz HJZNOJFQNFJWGS-MJBXVCDLSA-N 2 2 288.432 0.455 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CC(C)(C)CCO)C[C@H](C)O1 ZINC000584172831 327057484 /nfs/dbraw/zinc/05/74/84/327057484.db2.gz HJZNOJFQNFJWGS-MJBXVCDLSA-N 2 2 288.432 0.455 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C)[NH+]1CC(C)C1 ZINC000584182030 327061231 /nfs/dbraw/zinc/06/12/31/327061231.db2.gz PEUHBVFJTRAOOT-YNEHKIRRSA-N 2 2 253.390 0.878 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C)[NH+]1CC(C)C1 ZINC000584182030 327061233 /nfs/dbraw/zinc/06/12/33/327061233.db2.gz PEUHBVFJTRAOOT-YNEHKIRRSA-N 2 2 253.390 0.878 20 0 CCADLP CC(C)COC[C@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000573206804 327125381 /nfs/dbraw/zinc/12/53/81/327125381.db2.gz OLWLMVUQRGVHLY-LSDHHAIUSA-N 2 2 288.432 0.456 20 0 CCADLP CC(C)COC[C@H](O)C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000573206804 327125382 /nfs/dbraw/zinc/12/53/82/327125382.db2.gz OLWLMVUQRGVHLY-LSDHHAIUSA-N 2 2 288.432 0.456 20 0 CCADLP C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000579511442 327381837 /nfs/dbraw/zinc/38/18/37/327381837.db2.gz XALOHDWOYQLWBV-CQSZACIVSA-N 2 2 262.357 0.827 20 0 CCADLP C[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000579511442 327381838 /nfs/dbraw/zinc/38/18/38/327381838.db2.gz XALOHDWOYQLWBV-CQSZACIVSA-N 2 2 262.357 0.827 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NC(=O)NCC(F)(F)F ZINC000583701075 329093178 /nfs/dbraw/zinc/09/31/78/329093178.db2.gz CACHJZYPNHOVJM-HTQZYQBOSA-N 2 2 296.293 0.186 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NC(=O)NCC(F)(F)F ZINC000583701075 329093179 /nfs/dbraw/zinc/09/31/79/329093179.db2.gz CACHJZYPNHOVJM-HTQZYQBOSA-N 2 2 296.293 0.186 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000582554638 329110879 /nfs/dbraw/zinc/11/08/79/329110879.db2.gz SWSZLQOBPGLDBT-KGLIPLIRSA-N 2 2 266.389 0.751 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000582554638 329110880 /nfs/dbraw/zinc/11/08/80/329110880.db2.gz SWSZLQOBPGLDBT-KGLIPLIRSA-N 2 2 266.389 0.751 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000582554638 329110882 /nfs/dbraw/zinc/11/08/82/329110882.db2.gz SWSZLQOBPGLDBT-KGLIPLIRSA-N 2 2 266.389 0.751 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000582554638 329110883 /nfs/dbraw/zinc/11/08/83/329110883.db2.gz SWSZLQOBPGLDBT-KGLIPLIRSA-N 2 2 266.389 0.751 20 0 CCADLP COC[C@@]1(C(=O)N2CCC(n3cc[nH+]c3)CC2)CC[NH2+]C1 ZINC000582603817 329114575 /nfs/dbraw/zinc/11/45/75/329114575.db2.gz WNRRHPRAIJQVFB-OAHLLOKOSA-N 2 2 292.383 0.673 20 0 CCADLP COC[C@@H](O)C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000582720601 329130146 /nfs/dbraw/zinc/13/01/46/329130146.db2.gz YHLANWRKFZWPOW-INIZCTEOSA-N 2 2 294.395 0.616 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](CCO)[C@H]1CC[C@@H](C)C1 ZINC000582793563 329210372 /nfs/dbraw/zinc/21/03/72/329210372.db2.gz HDUVOYFDYZBDHN-ILXRZTDVSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](CCO)[C@H]1CC[C@@H](C)C1 ZINC000582793563 329210373 /nfs/dbraw/zinc/21/03/73/329210373.db2.gz HDUVOYFDYZBDHN-ILXRZTDVSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](CCO)[C@H]1CC[C@@H](C)C1 ZINC000582793563 329210374 /nfs/dbraw/zinc/21/03/74/329210374.db2.gz HDUVOYFDYZBDHN-ILXRZTDVSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](CCO)[C@H]1CC[C@@H](C)C1 ZINC000582793563 329210376 /nfs/dbraw/zinc/21/03/76/329210376.db2.gz HDUVOYFDYZBDHN-ILXRZTDVSA-N 2 2 288.432 0.408 20 0 CCADLP C[NH+](C)[C@H]1CCN(C(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000582962399 329290446 /nfs/dbraw/zinc/29/04/46/329290446.db2.gz TXXINNUMCRYUEW-WPRPVWTQSA-N 2 2 254.359 0.305 20 0 CCADLP C[C@@H](O)CNc1cc(NCC2CC[NH+](C)CC2)nc[nH+]1 ZINC000583130922 329317910 /nfs/dbraw/zinc/31/79/10/329317910.db2.gz XZVGKEBLHUBKOP-LLVKDONJSA-N 2 2 279.388 0.445 20 0 CCADLP C[C@@H](O)CNc1cc(NCC2CC[NH+](C)CC2)[nH+]cn1 ZINC000583130922 329317912 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COCC[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccc(C)o1 ZINC000311734562 333237034 /nfs/dbraw/zinc/23/70/34/333237034.db2.gz RRHZFNNDEDXIBW-ZDUSSCGKSA-N 2 2 270.373 0.959 20 0 CCADLP [NH3+]CC(F)(F)CC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000575998234 335140127 /nfs/dbraw/zinc/14/01/27/335140127.db2.gz ORFHGVJXRYRKRQ-UHFFFAOYSA-N 2 2 287.314 0.038 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)SCC[NH2+]C)CC1 ZINC000565598159 334577324 /nfs/dbraw/zinc/57/73/24/334577324.db2.gz QULCGWGPNOSNLP-LLVKDONJSA-N 2 2 259.419 0.492 20 0 CCADLP CC[C@H](C[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1)OC ZINC000566129513 334626284 /nfs/dbraw/zinc/62/62/84/334626284.db2.gz HCYILFMFZYLKRA-XDQVBPFNSA-N 2 2 274.405 0.471 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(CC[NH3+])CC2)CC1 ZINC000573096806 334908144 /nfs/dbraw/zinc/90/81/44/334908144.db2.gz GLDZKNBGIUWWFS-AWEZNQCLSA-N 3 2 296.459 0.600 20 0 CCADLP COc1c(N)[nH+]cnc1N[C@@H]1CCn2cc[nH+]c2C1 ZINC000576359450 335194586 /nfs/dbraw/zinc/19/45/86/335194586.db2.gz 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CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000577121611 335303962 /nfs/dbraw/zinc/30/39/62/335303962.db2.gz GOZDCEMOASZVIM-RDBSUJKOSA-N 2 2 272.389 0.179 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000577121611 335303963 /nfs/dbraw/zinc/30/39/63/335303963.db2.gz GOZDCEMOASZVIM-RDBSUJKOSA-N 2 2 272.389 0.179 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000577164209 335312884 /nfs/dbraw/zinc/31/28/84/335312884.db2.gz UMDQUQHYSNLYDM-ZFWWWQNUSA-N 2 2 296.415 0.102 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000577164209 335312886 /nfs/dbraw/zinc/31/28/86/335312886.db2.gz UMDQUQHYSNLYDM-ZFWWWQNUSA-N 2 2 296.415 0.102 20 0 CCADLP COC(=O)[C@H]1[C@@H](C(=O)OC)CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000346251548 335360511 /nfs/dbraw/zinc/36/05/11/335360511.db2.gz KUACBDKMAWSAAD-NWDGAFQWSA-N 2 2 295.339 0.310 20 0 CCADLP COC(=O)[C@H]1[C@@H](C(=O)OC)CCC[N@H+]1CCn1cc[nH+]c1 ZINC000346251548 335360514 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O=C(CCC1CC[NH2+]CC1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000423754232 534334199 /nfs/dbraw/zinc/33/41/99/534334199.db2.gz HSOSXZHIFNTGQC-OAHLLOKOSA-N 2 2 295.427 0.746 20 0 CCADLP O=C(CCC1CC[NH2+]CC1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000423754232 534334207 /nfs/dbraw/zinc/33/42/07/534334207.db2.gz HSOSXZHIFNTGQC-OAHLLOKOSA-N 2 2 295.427 0.746 20 0 CCADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C12CCC[NH+]1CCC2 ZINC000456207181 534344689 /nfs/dbraw/zinc/34/46/89/534344689.db2.gz SEVNGRHIQQJZFI-OKILXGFUSA-N 2 2 293.411 0.594 20 0 CCADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C12CCC[NH+]1CCC2 ZINC000456207181 534344697 /nfs/dbraw/zinc/34/46/97/534344697.db2.gz SEVNGRHIQQJZFI-OKILXGFUSA-N 2 2 293.411 0.594 20 0 CCADLP Cc1ccn2c(CN3CC[NH+](CCO)CC3)c[nH+]c2c1 ZINC000305179713 534345688 /nfs/dbraw/zinc/34/56/88/534345688.db2.gz HDSQMOMJFWKSOP-UHFFFAOYSA-N 2 2 274.368 0.753 20 0 CCADLP CC(C)(C)[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000156446435 518756512 /nfs/dbraw/zinc/75/65/12/518756512.db2.gz 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CCC[NH+](C)CC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456216156 527819976 /nfs/dbraw/zinc/81/99/76/527819976.db2.gz NFYYOBGJFHPLHA-BETUJISGSA-N 2 2 269.389 0.308 20 0 CCADLP CCC[NH+](C)CC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456216156 527819979 /nfs/dbraw/zinc/81/99/79/527819979.db2.gz NFYYOBGJFHPLHA-BETUJISGSA-N 2 2 269.389 0.308 20 0 CCADLP CC[C@@H]1CN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC[C@H]1[NH3+] ZINC000669323351 545205375 /nfs/dbraw/zinc/20/53/75/545205375.db2.gz YEQSRHSWRBSKLZ-BFHYXJOUSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000669412550 545207631 /nfs/dbraw/zinc/20/76/31/545207631.db2.gz SZQSBOMFYIAILJ-PWSUYJOCSA-N 2 2 254.378 0.317 20 0 CCADLP C[C@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C1CC1 ZINC000669412550 545207632 /nfs/dbraw/zinc/20/76/32/545207632.db2.gz SZQSBOMFYIAILJ-PWSUYJOCSA-N 2 2 254.378 0.317 20 0 CCADLP CCNC(=O)N1CC[C@H]([NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000358284113 528156292 /nfs/dbraw/zinc/15/62/92/528156292.db2.gz DWLLMROCIQVMRZ-SDDRHHMPSA-N 2 2 254.378 0.330 20 0 CCADLP CCNC(=O)N1CC[C@H]([NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000358284113 528156296 /nfs/dbraw/zinc/15/62/96/528156296.db2.gz DWLLMROCIQVMRZ-SDDRHHMPSA-N 2 2 254.378 0.330 20 0 CCADLP C[NH2+]CCNC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000669512034 545211572 /nfs/dbraw/zinc/21/15/72/545211572.db2.gz SLZHKVNSIYWKGH-UHFFFAOYSA-N 2 2 275.356 0.704 20 0 CCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000669538305 545213490 /nfs/dbraw/zinc/21/34/90/545213490.db2.gz KDHHKZRDAZCSCD-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000669538305 545213491 /nfs/dbraw/zinc/21/34/91/545213491.db2.gz KDHHKZRDAZCSCD-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])[C@H]1CCCCO1 ZINC000669553739 545214525 /nfs/dbraw/zinc/21/45/25/545214525.db2.gz XZWJZUASEJLFDE-RWMBFGLXSA-N 2 2 284.404 0.228 20 0 CCADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])[C@H]1CCCCO1 ZINC000669553739 545214526 /nfs/dbraw/zinc/21/45/26/545214526.db2.gz XZWJZUASEJLFDE-RWMBFGLXSA-N 2 2 284.404 0.228 20 0 CCADLP CC[NH2+]CCNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000418328162 528308447 /nfs/dbraw/zinc/30/84/47/528308447.db2.gz RSDZPDLREHPBOT-CYBMUJFWSA-N 2 2 293.415 0.994 20 0 CCADLP CC[NH2+]CCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000418318622 528310383 /nfs/dbraw/zinc/31/03/83/528310383.db2.gz AFIXDNPFBDJYTM-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000418113936 528405130 /nfs/dbraw/zinc/40/51/30/528405130.db2.gz KOJHORCEQSIVIM-GFCCVEGCSA-N 2 2 284.404 0.148 20 0 CCADLP CCN(CCC[NH+](C)C)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000423801913 528441390 /nfs/dbraw/zinc/44/13/90/528441390.db2.gz WIKIIIJIBTXVJV-JTQLQIEISA-N 2 2 263.332 0.784 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)N1CCC[N@H+](CC(=O)NCC)CC1 ZINC000449105167 528534883 /nfs/dbraw/zinc/53/48/83/528534883.db2.gz HHGYIYDESKDJAS-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)N1CCC[N@@H+](CC(=O)NCC)CC1 ZINC000449105167 528534891 /nfs/dbraw/zinc/53/48/91/528534891.db2.gz HHGYIYDESKDJAS-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP O=C1NCC[C@@H]1[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670985386 545240868 /nfs/dbraw/zinc/24/08/68/545240868.db2.gz BJAZYWVCFXEPDY-OLZOCXBDSA-N 2 2 267.373 0.062 20 0 CCADLP O=C1NCC[C@@H]1[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670985386 545240869 /nfs/dbraw/zinc/24/08/69/545240869.db2.gz BJAZYWVCFXEPDY-OLZOCXBDSA-N 2 2 267.373 0.062 20 0 CCADLP C[NH+]1CCC(C(=O)N[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000672147537 545263131 /nfs/dbraw/zinc/26/31/31/545263131.db2.gz PNKMZCCYNXOLQR-LBPRGKRZSA-N 2 2 262.357 0.656 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672158351 545264148 /nfs/dbraw/zinc/26/41/48/545264148.db2.gz WYNCECNAZLHENA-LLVKDONJSA-N 2 2 250.346 0.654 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672158351 545264149 /nfs/dbraw/zinc/26/41/49/545264149.db2.gz WYNCECNAZLHENA-LLVKDONJSA-N 2 2 250.346 0.654 20 0 CCADLP C[C@@H](C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)[NH+](C)C ZINC000672209627 545265007 /nfs/dbraw/zinc/26/50/07/545265007.db2.gz TVENLPSZXBQVHJ-FRRDWIJNSA-N 2 2 269.389 0.258 20 0 CCADLP C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)[C@H]1C[N@H+](C)CCO1 ZINC000673017416 545278095 /nfs/dbraw/zinc/27/80/95/545278095.db2.gz YDMJGJUTUMOQJN-GHMZBOCLSA-N 2 2 266.345 0.178 20 0 CCADLP C[C@@H](NC(=O)CCc1[nH]cc[nH+]1)[C@H]1C[N@@H+](C)CCO1 ZINC000673017416 545278096 /nfs/dbraw/zinc/27/80/96/545278096.db2.gz YDMJGJUTUMOQJN-GHMZBOCLSA-N 2 2 266.345 0.178 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@](C)(COC)C2)CC1 ZINC000451184464 529132828 /nfs/dbraw/zinc/13/28/28/529132828.db2.gz AXXZSTJFQVWCJG-GOEBONIOSA-N 2 2 297.443 0.897 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@](C)(COC)C2)CC1 ZINC000451184464 529132830 /nfs/dbraw/zinc/13/28/30/529132830.db2.gz AXXZSTJFQVWCJG-GOEBONIOSA-N 2 2 297.443 0.897 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[N@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000423900129 529213338 /nfs/dbraw/zinc/21/33/38/529213338.db2.gz RIUORDCJZLPWSL-SGMGOOAPSA-N 2 2 299.415 0.456 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[N@@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000423900129 529213341 /nfs/dbraw/zinc/21/33/41/529213341.db2.gz RIUORDCJZLPWSL-SGMGOOAPSA-N 2 2 299.415 0.456 20 0 CCADLP CC[C@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CC[N@@H+]1CCOC ZINC000493107852 529259421 /nfs/dbraw/zinc/25/94/21/529259421.db2.gz QQWVTLFZGOZHTP-IHVVCDCBSA-N 2 2 292.383 0.992 20 0 CCADLP CC[C@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CC[N@H+]1CCOC ZINC000493107852 529259425 /nfs/dbraw/zinc/25/94/25/529259425.db2.gz QQWVTLFZGOZHTP-IHVVCDCBSA-N 2 2 292.383 0.992 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)/C=C\C[NH+](C)C)CCO1 ZINC000493769427 529291719 /nfs/dbraw/zinc/29/17/19/529291719.db2.gz GHSFGJFSFOUWEO-SZZPACECSA-N 2 2 269.389 0.331 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)/C=C\C[NH+](C)C)CCO1 ZINC000493769427 529291723 /nfs/dbraw/zinc/29/17/23/529291723.db2.gz GHSFGJFSFOUWEO-SZZPACECSA-N 2 2 269.389 0.331 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)NCC[C@H]2CC[NH2+]C2)CCO1 ZINC000418336358 529292653 /nfs/dbraw/zinc/29/26/53/529292653.db2.gz IJACAOPSYVYODK-KGLIPLIRSA-N 2 2 298.431 0.396 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)NCC[C@H]2CC[NH2+]C2)CCO1 ZINC000418336358 529292656 /nfs/dbraw/zinc/29/26/56/529292656.db2.gz IJACAOPSYVYODK-KGLIPLIRSA-N 2 2 298.431 0.396 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000269234363 535056537 /nfs/dbraw/zinc/05/65/37/535056537.db2.gz GBRIAOAQUPUDOK-LBPRGKRZSA-N 2 2 250.346 0.819 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000675782839 545331284 /nfs/dbraw/zinc/33/12/84/545331284.db2.gz ZFAJMVAEPCWQQK-ZIAGYGMSSA-N 3 2 282.432 0.080 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000675782839 545331285 /nfs/dbraw/zinc/33/12/85/545331285.db2.gz ZFAJMVAEPCWQQK-ZIAGYGMSSA-N 3 2 282.432 0.080 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH2+]CC(=O)N2CCN(C)CC2)[C@H](C)C1 ZINC000675782839 545331286 /nfs/dbraw/zinc/33/12/86/545331286.db2.gz ZFAJMVAEPCWQQK-ZIAGYGMSSA-N 2 2 282.432 0.080 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH2+]CC(=O)N2CCN(C)CC2)[C@H](C)C1 ZINC000675782839 545331287 /nfs/dbraw/zinc/33/12/87/545331287.db2.gz ZFAJMVAEPCWQQK-ZIAGYGMSSA-N 2 2 282.432 0.080 20 0 CCADLP CCN(CC)C(=O)C[NH+]1CCN(CC(C)(C)[NH3+])CC1 ZINC000346858576 535431121 /nfs/dbraw/zinc/43/11/21/535431121.db2.gz RIFRPMMUZGUXCD-UHFFFAOYSA-N 2 2 270.421 0.210 20 0 CCADLP CCN(CC)C(=O)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000363218738 535431860 /nfs/dbraw/zinc/43/18/60/535431860.db2.gz LOHAUTLHJBNLDD-HNNXBMFYSA-N 2 2 296.459 0.567 20 0 CCADLP CCN(CC)C(=O)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000363218738 535431864 /nfs/dbraw/zinc/43/18/64/535431864.db2.gz LOHAUTLHJBNLDD-HNNXBMFYSA-N 2 2 296.459 0.567 20 0 CCADLP CN(C(=O)c1nc[nH]n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000676527264 545345326 /nfs/dbraw/zinc/34/53/26/545345326.db2.gz DFAODKBMFMNJFE-GFCCVEGCSA-N 2 2 292.387 0.045 20 0 CCADLP CN(C(=O)c1nc[nH]n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000676527264 545345327 /nfs/dbraw/zinc/34/53/27/545345327.db2.gz DFAODKBMFMNJFE-GFCCVEGCSA-N 2 2 292.387 0.045 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+]C2CCN(C(=O)OC)CC2)C1 ZINC000496577484 535768918 /nfs/dbraw/zinc/76/89/18/535768918.db2.gz KTLUDMPNYWWLMV-LBPRGKRZSA-N 2 2 255.362 0.901 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+]C2CCN(C(=O)OC)CC2)C1 ZINC000496577484 535768921 /nfs/dbraw/zinc/76/89/21/535768921.db2.gz KTLUDMPNYWWLMV-LBPRGKRZSA-N 2 2 255.362 0.901 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]CCS(=O)(=O)NC(C)C)[C@@H](C)C1 ZINC000358018329 535784094 /nfs/dbraw/zinc/78/40/94/535784094.db2.gz AQSGGIWZRYADMQ-RYUDHWBXSA-N 2 2 277.434 0.244 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]CCS(=O)(=O)NC(C)C)[C@@H](C)C1 ZINC000358018329 535784098 /nfs/dbraw/zinc/78/40/98/535784098.db2.gz AQSGGIWZRYADMQ-RYUDHWBXSA-N 2 2 277.434 0.244 20 0 CCADLP CC[N@@H+]1CCN(C(=O)C[NH+](C)[C@H]2CCSC2)C[C@H]1C ZINC000677931624 545377756 /nfs/dbraw/zinc/37/77/56/545377756.db2.gz UVWXXALVFRXMQP-OLZOCXBDSA-N 2 2 285.457 0.976 20 0 CCADLP CC[N@H+]1CCN(C(=O)C[NH+](C)[C@H]2CCSC2)C[C@H]1C ZINC000677931624 545377757 /nfs/dbraw/zinc/37/77/57/545377757.db2.gz UVWXXALVFRXMQP-OLZOCXBDSA-N 2 2 285.457 0.976 20 0 CCADLP CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)C[C@H]1C ZINC000677931624 545377758 /nfs/dbraw/zinc/37/77/58/545377758.db2.gz UVWXXALVFRXMQP-OLZOCXBDSA-N 2 2 285.457 0.976 20 0 CCADLP CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)C[C@H]1C ZINC000677931624 545377759 /nfs/dbraw/zinc/37/77/59/545377759.db2.gz UVWXXALVFRXMQP-OLZOCXBDSA-N 2 2 285.457 0.976 20 0 CCADLP C[NH+](C)CCOc1ccc(C[N@@H+]2CCNC(=O)C2)cc1 ZINC000678122435 545384959 /nfs/dbraw/zinc/38/49/59/545384959.db2.gz OJDASHONEHGNFT-UHFFFAOYSA-N 2 2 277.368 0.559 20 0 CCADLP C[NH+](C)CCOc1ccc(C[N@H+]2CCNC(=O)C2)cc1 ZINC000678122435 545384960 /nfs/dbraw/zinc/38/49/60/545384960.db2.gz OJDASHONEHGNFT-UHFFFAOYSA-N 2 2 277.368 0.559 20 0 CCADLP Cc1nn(C)cc1C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000678257887 545387486 /nfs/dbraw/zinc/38/74/86/545387486.db2.gz UCEINHVYNWISCS-MRXNPFEDSA-N 2 2 291.443 0.940 20 0 CCADLP Cc1nn(C)cc1C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000678257887 545387487 /nfs/dbraw/zinc/38/74/87/545387487.db2.gz UCEINHVYNWISCS-MRXNPFEDSA-N 2 2 291.443 0.940 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCOc3ccccc3C2)CC1 ZINC000678514693 545393621 /nfs/dbraw/zinc/39/36/21/545393621.db2.gz PTKKLMLXDODEMK-UHFFFAOYSA-N 2 2 289.379 0.655 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCOc3ccccc3C2)CC1 ZINC000678514693 545393622 /nfs/dbraw/zinc/39/36/22/545393622.db2.gz PTKKLMLXDODEMK-UHFFFAOYSA-N 2 2 289.379 0.655 20 0 CCADLP C[NH+]1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000343168983 536405732 /nfs/dbraw/zinc/40/57/32/536405732.db2.gz CIYRLKGGCWXBMD-UHFFFAOYSA-N 2 2 284.404 0.054 20 0 CCADLP C[NH+]1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000343168983 536405735 /nfs/dbraw/zinc/40/57/35/536405735.db2.gz CIYRLKGGCWXBMD-UHFFFAOYSA-N 2 2 284.404 0.054 20 0 CCADLP CN1CC[N@H+](C)[C@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000250421130 536411643 /nfs/dbraw/zinc/41/16/43/536411643.db2.gz ZENXKMDOKFLQEQ-JALIKCBVSA-N 2 2 294.443 0.269 20 0 CCADLP CN1CC[N@@H+](C)[C@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000250421130 536411647 /nfs/dbraw/zinc/41/16/47/536411647.db2.gz ZENXKMDOKFLQEQ-JALIKCBVSA-N 2 2 294.443 0.269 20 0 CCADLP COC1(C)CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000342179757 536562027 /nfs/dbraw/zinc/56/20/27/536562027.db2.gz NXSCNMLHTIXIAQ-UHFFFAOYSA-N 2 2 269.389 0.261 20 0 CCADLP COC[C@@H]([NH3+])C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000262165156 536663707 /nfs/dbraw/zinc/66/37/07/536663707.db2.gz AGRHCDUTWABTEP-GFCCVEGCSA-N 2 2 274.324 0.462 20 0 CCADLP C[C@H](NC(=O)c1c[nH+]ccc1N(C)C)[C@H]1C[N@H+](C)CCO1 ZINC000680590268 545433129 /nfs/dbraw/zinc/43/31/29/545433129.db2.gz NZVRQVBKAYRTHD-SMDDNHRTSA-N 2 2 292.383 0.597 20 0 CCADLP C[C@H](NC(=O)c1c[nH+]ccc1N(C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000680590268 545433130 /nfs/dbraw/zinc/43/31/30/545433130.db2.gz NZVRQVBKAYRTHD-SMDDNHRTSA-N 2 2 292.383 0.597 20 0 CCADLP COCC[NH2+]C1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000516574776 536893401 /nfs/dbraw/zinc/89/34/01/536893401.db2.gz COFAFWZHWNSDLM-UHFFFAOYSA-N 2 2 295.387 0.293 20 0 CCADLP CC[N@@H+](CCO)CCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000681100177 545443037 /nfs/dbraw/zinc/44/30/37/545443037.db2.gz VIUBXNDXIGKXMN-UHFFFAOYSA-N 2 2 291.355 0.770 20 0 CCADLP CC[C@@H](NC(=O)CN1CC[NH+](C)CC1)c1[nH]cc[nH+]1 ZINC000682041763 545471587 /nfs/dbraw/zinc/47/15/87/545471587.db2.gz WJOYHDVMKDXSBC-LLVKDONJSA-N 2 2 265.361 0.224 20 0 CCADLP CC[N@@H+]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000682495554 545480576 /nfs/dbraw/zinc/48/05/76/545480576.db2.gz SEIFYSJLOFWGAI-ZDUSSCGKSA-N 2 2 276.384 1.000 20 0 CCADLP CC[N@H+]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000682495554 545480577 /nfs/dbraw/zinc/48/05/77/545480577.db2.gz SEIFYSJLOFWGAI-ZDUSSCGKSA-N 2 2 276.384 1.000 20 0 CCADLP COC1(C[C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)CCC1 ZINC000683227998 545499682 /nfs/dbraw/zinc/49/96/82/545499682.db2.gz LQZXQQGMZHKLOQ-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CC([C@H]2CCOC2)C1)C1CC1 ZINC000685911333 545867863 /nfs/dbraw/zinc/86/78/63/545867863.db2.gz DRHWVYUJROTIKB-FZMZJTMJSA-N 2 2 254.374 0.410 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CC([C@H]2CCOC2)C1)C1CC1 ZINC000685911333 545867868 /nfs/dbraw/zinc/86/78/68/545867868.db2.gz DRHWVYUJROTIKB-FZMZJTMJSA-N 2 2 254.374 0.410 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCF)C[C@H]21 ZINC000962402809 649899931 /nfs/dbraw/zinc/89/99/31/649899931.db2.gz FTSSTSLESFCIHM-YABSGUDNSA-N 2 2 280.347 0.667 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCF)C[C@H]21 ZINC000962402809 649899932 /nfs/dbraw/zinc/89/99/32/649899932.db2.gz FTSSTSLESFCIHM-YABSGUDNSA-N 2 2 280.347 0.667 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1ccc(F)nc1 ZINC000778170384 581144501 /nfs/dbraw/zinc/14/45/01/581144501.db2.gz OWPYZFHXAMLSBD-LBPRGKRZSA-N 2 2 252.337 0.556 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1ccc(F)nc1 ZINC000778170384 581144502 /nfs/dbraw/zinc/14/45/02/581144502.db2.gz OWPYZFHXAMLSBD-LBPRGKRZSA-N 2 2 252.337 0.556 20 0 CCADLP C[NH+](C)CCNC(=S)NCc1c[nH+]c2n1CCCC2 ZINC000789374677 581147009 /nfs/dbraw/zinc/14/70/09/581147009.db2.gz OYTZGGAHAKFCOE-UHFFFAOYSA-N 2 2 281.429 0.745 20 0 CCADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](CC3OCCO3)CC2)C1 ZINC000777615410 581191206 /nfs/dbraw/zinc/19/12/06/581191206.db2.gz JMRFNUFUBREUNG-CYBMUJFWSA-N 2 2 269.389 0.071 20 0 CCADLP C[N@H+]1CCC[C@@H](N2CC[NH+](CC3OCCO3)CC2)C1 ZINC000777615410 581191208 /nfs/dbraw/zinc/19/12/08/581191208.db2.gz JMRFNUFUBREUNG-CYBMUJFWSA-N 2 2 269.389 0.071 20 0 CCADLP CCN1CC(=O)N([C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000777652455 581128559 /nfs/dbraw/zinc/12/85/59/581128559.db2.gz NHNTYBDGDLTVEB-CYBMUJFWSA-N 2 2 294.399 0.439 20 0 CCADLP CCN1CC(=O)N([C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000777652455 581128560 /nfs/dbraw/zinc/12/85/60/581128560.db2.gz NHNTYBDGDLTVEB-CYBMUJFWSA-N 2 2 294.399 0.439 20 0 CCADLP O[C@H](C[NH2+]Cc1ccc(F)nc1)C[NH+]1CCCC1 ZINC000778160343 581143994 /nfs/dbraw/zinc/14/39/94/581143994.db2.gz UFXYSPPEISGCIJ-GFCCVEGCSA-N 2 2 253.321 0.767 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C[C@H](O)C[NH+]1CCCC1 ZINC000789342397 581144437 /nfs/dbraw/zinc/14/44/37/581144437.db2.gz UVJGUQZACXMWFE-CABCVRRESA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H](CN1CCOCC1)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000789342397 581144439 /nfs/dbraw/zinc/14/44/39/581144439.db2.gz UVJGUQZACXMWFE-CABCVRRESA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H](CN1CCOCC1)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000789342397 581144441 /nfs/dbraw/zinc/14/44/41/581144441.db2.gz UVJGUQZACXMWFE-CABCVRRESA-N 2 2 285.432 0.096 20 0 CCADLP CC[C@@H](CO)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000779804026 581207461 /nfs/dbraw/zinc/20/74/61/581207461.db2.gz RXWKWNRBYWCUGP-LBPRGKRZSA-N 2 2 271.405 0.147 20 0 CCADLP COC(=O)[C@H](C)C[N@H+](C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000726843466 581254760 /nfs/dbraw/zinc/25/47/60/581254760.db2.gz FJZCTEMNCYLCOC-TZMCWYRMSA-N 2 2 284.400 0.717 20 0 CCADLP COC(=O)[C@H](C)C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000726843466 581254761 /nfs/dbraw/zinc/25/47/61/581254761.db2.gz FJZCTEMNCYLCOC-TZMCWYRMSA-N 2 2 284.400 0.717 20 0 CCADLP Cc1cc([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)n(C)n1 ZINC000793527651 581302303 /nfs/dbraw/zinc/30/23/03/581302303.db2.gz OPYNHQJTAATTAS-LBPRGKRZSA-N 2 2 279.388 0.153 20 0 CCADLP O=C(CC[NH+]1CCOCC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000727736140 581330857 /nfs/dbraw/zinc/33/08/57/581330857.db2.gz HYDPVTIDFAEWHV-CYBMUJFWSA-N 2 2 292.383 0.838 20 0 CCADLP CO[C@H]1CCC[N@H+](CN2C[C@@H](c3c[nH+]cn3C)CC2=O)C1 ZINC000783978726 581369711 /nfs/dbraw/zinc/36/97/11/581369711.db2.gz MTTALQVQLJCNNC-STQMWFEESA-N 2 2 292.383 0.804 20 0 CCADLP CO[C@H]1CCC[N@@H+](CN2C[C@@H](c3c[nH+]cn3C)CC2=O)C1 ZINC000783978726 581369714 /nfs/dbraw/zinc/36/97/14/581369714.db2.gz MTTALQVQLJCNNC-STQMWFEESA-N 2 2 292.383 0.804 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1CCCc2n[nH]cc21)C[NH+]1CCCC1 ZINC000796703007 581448635 /nfs/dbraw/zinc/44/86/35/581448635.db2.gz OUDJAJSKPINQKQ-WCQYABFASA-N 2 2 264.373 0.833 20 0 CCADLP CC1(C)OCC(CO)([NH2+]CCC[NH+]2CCCCC2)CO1 ZINC000787997885 581484503 /nfs/dbraw/zinc/48/45/03/581484503.db2.gz CLYAHTWELCUVRI-UHFFFAOYSA-N 2 2 286.416 0.966 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3=COCC3)C2)CC1 ZINC000734127744 581547525 /nfs/dbraw/zinc/54/75/25/581547525.db2.gz ANGBJBHXAHNESH-CYBMUJFWSA-N 2 2 279.384 0.575 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3=COCC3)C2)CC1 ZINC000734127744 581547529 /nfs/dbraw/zinc/54/75/29/581547529.db2.gz ANGBJBHXAHNESH-CYBMUJFWSA-N 2 2 279.384 0.575 20 0 CCADLP C[NH+](C)C[C@H](O)CNc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000766391732 581564501 /nfs/dbraw/zinc/56/45/01/581564501.db2.gz ITOXIIYYCMRRNJ-SNVBAGLBSA-N 2 2 292.387 0.916 20 0 CCADLP Cn1cc(C(C)(C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cn1 ZINC000754868020 581613972 /nfs/dbraw/zinc/61/39/72/581613972.db2.gz GSGYKABIZVKYHS-CYBMUJFWSA-N 2 2 266.389 0.702 20 0 CCADLP C[C@H]1C[NH+]=C(N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)S1 ZINC000744609187 581845995 /nfs/dbraw/zinc/84/59/95/581845995.db2.gz WGQWVGRMWQFOJV-RYUDHWBXSA-N 2 2 296.440 0.574 20 0 CCADLP C[C@H]1C[NH+]=C(N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)S1 ZINC000744609187 581845998 /nfs/dbraw/zinc/84/59/98/581845998.db2.gz WGQWVGRMWQFOJV-RYUDHWBXSA-N 2 2 296.440 0.574 20 0 CCADLP COc1ccccc1[C@H](NC(=O)C[NH3+])c1[nH+]ccn1C ZINC000746298505 581909052 /nfs/dbraw/zinc/90/90/52/581909052.db2.gz XTLQUIWSNCGAAZ-ZDUSSCGKSA-N 2 2 274.324 0.593 20 0 CCADLP Cc1nc(N2CC[NH+](CC[S@@](C)=O)CC2)c(C)c(C)[nH+]1 ZINC000761907930 581925602 /nfs/dbraw/zinc/92/56/02/581925602.db2.gz QTFACZBBDWAERS-HXUWFJFHSA-N 2 2 296.440 0.902 20 0 CCADLP CC[C@@H](C(=O)OCC[NH+]1CCOCC1)[NH+](CC)CC ZINC000747703988 581950777 /nfs/dbraw/zinc/95/07/77/581950777.db2.gz NCQACZUEDSRUSH-ZDUSSCGKSA-N 2 2 272.389 0.982 20 0 CCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000738000790 582012969 /nfs/dbraw/zinc/01/29/69/582012969.db2.gz ZVGGWNWMATWWTR-CQSZACIVSA-N 2 2 283.416 0.507 20 0 CCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000738000790 582012971 /nfs/dbraw/zinc/01/29/71/582012971.db2.gz ZVGGWNWMATWWTR-CQSZACIVSA-N 2 2 283.416 0.507 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]C2CCC3(CC2)OCCO3)CC1 ZINC000775496183 582026495 /nfs/dbraw/zinc/02/64/95/582026495.db2.gz GKYQRISPOWXEOQ-UHFFFAOYSA-N 2 2 297.399 0.036 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+](C)[C@H]2CCSC2)CC[N@@H+]1C ZINC000764402794 582045101 /nfs/dbraw/zinc/04/51/01/582045101.db2.gz OOQVQRBORAHTCG-NEPJUHHUSA-N 2 2 271.430 0.586 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+](C)[C@H]2CCSC2)CC[N@H+]1C ZINC000764402794 582045103 /nfs/dbraw/zinc/04/51/03/582045103.db2.gz OOQVQRBORAHTCG-NEPJUHHUSA-N 2 2 271.430 0.586 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC[NH+]1C ZINC000764402794 582045105 /nfs/dbraw/zinc/04/51/05/582045105.db2.gz OOQVQRBORAHTCG-NEPJUHHUSA-N 2 2 271.430 0.586 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)[C@H]2CCSC2)CC[NH+]1C ZINC000764402794 582045107 /nfs/dbraw/zinc/04/51/07/582045107.db2.gz OOQVQRBORAHTCG-NEPJUHHUSA-N 2 2 271.430 0.586 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CCOC[C@@H]1OC ZINC000880437471 614866351 /nfs/dbraw/zinc/86/63/51/614866351.db2.gz LLXLRGRNOZJILI-XQQFMLRXSA-N 2 2 260.378 0.035 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCOC[C@@H]1OC ZINC000880437471 614866353 /nfs/dbraw/zinc/86/63/53/614866353.db2.gz LLXLRGRNOZJILI-XQQFMLRXSA-N 2 2 260.378 0.035 20 0 CCADLP C[C@@H]([NH3+])c1nc(-c2ccc(N3CC[NH+](C)CC3)nc2)no1 ZINC000843199616 617179120 /nfs/dbraw/zinc/17/91/20/617179120.db2.gz ZDBVHPPIMBUNRN-SNVBAGLBSA-N 2 2 288.355 0.903 20 0 CCADLP CC(C)[C@H](C[NH2+][C@H](C)c1cn(C)nn1)N1CC[NH+](C)CC1 ZINC000902740266 614210478 /nfs/dbraw/zinc/21/04/78/614210478.db2.gz QOZHWFQTDHOVOC-HIFRSBDPSA-N 2 2 294.447 0.738 20 0 CCADLP CC(C)[C@H](O)C[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880252733 614259164 /nfs/dbraw/zinc/25/91/64/614259164.db2.gz BRIVNNRUTUKCBL-CQSZACIVSA-N 2 2 297.443 0.809 20 0 CCADLP COc1cccc([C@H](O)C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000843067937 617310052 /nfs/dbraw/zinc/31/00/52/617310052.db2.gz HXLPLXOACHDDDO-GDBMZVCRSA-N 2 2 294.395 0.773 20 0 CCADLP COc1cccc([C@H](O)C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000843067937 617310053 /nfs/dbraw/zinc/31/00/53/617310053.db2.gz HXLPLXOACHDDDO-GDBMZVCRSA-N 2 2 294.395 0.773 20 0 CCADLP C(CN1C[C@H]2CC[C@@H](C1)O2)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903471949 613222605 /nfs/dbraw/zinc/22/26/05/613222605.db2.gz NRNVGNLMKXTLCQ-HZSPNIEDSA-N 2 2 265.401 0.724 20 0 CCADLP C(C[C@@H]1CCC2(CCOCC2)CO1)[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925774163 613228679 /nfs/dbraw/zinc/22/86/79/613228679.db2.gz SFVQUISEEFWOMU-GJZGRUSLSA-N 2 2 298.427 0.930 20 0 CCADLP C/C(=C\C(=O)N1CCC[C@@H]1C[NH+](C)C)C[NH+]1CCOCC1 ZINC000900522778 613250220 /nfs/dbraw/zinc/25/02/20/613250220.db2.gz HSAWYZINGFVAIZ-ATGUSINASA-N 2 2 295.427 0.818 20 0 CCADLP C/C(=C\C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000908435819 613254314 /nfs/dbraw/zinc/25/43/14/613254314.db2.gz JZZSMCDLVAHODS-SKLCMXRPSA-N 2 2 295.427 0.816 20 0 CCADLP C/C(=C\C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000908435819 613254318 /nfs/dbraw/zinc/25/43/18/613254318.db2.gz JZZSMCDLVAHODS-SKLCMXRPSA-N 2 2 295.427 0.816 20 0 CCADLP CC(C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000960646268 613903864 /nfs/dbraw/zinc/90/38/64/613903864.db2.gz QIYWYSDAZHGDDI-RMRHIDDWSA-N 2 2 288.395 0.900 20 0 CCADLP CC(C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000960646268 613903866 /nfs/dbraw/zinc/90/38/66/613903866.db2.gz QIYWYSDAZHGDDI-RMRHIDDWSA-N 2 2 288.395 0.900 20 0 CCADLP CC(C)NC(=O)NCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879579547 613925572 /nfs/dbraw/zinc/92/55/72/613925572.db2.gz NSPCKKPUZIOZSN-CHWSQXEVSA-N 2 2 268.405 0.720 20 0 CCADLP CC(C)NC(=O)NCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879579547 613925575 /nfs/dbraw/zinc/92/55/75/613925575.db2.gz NSPCKKPUZIOZSN-CHWSQXEVSA-N 2 2 268.405 0.720 20 0 CCADLP CC(C)NC(=O)NCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879579547 613925578 /nfs/dbraw/zinc/92/55/78/613925578.db2.gz NSPCKKPUZIOZSN-CHWSQXEVSA-N 2 2 268.405 0.720 20 0 CCADLP CC(C)NC(=O)NCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879579547 613925581 /nfs/dbraw/zinc/92/55/81/613925581.db2.gz NSPCKKPUZIOZSN-CHWSQXEVSA-N 2 2 268.405 0.720 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H](O)C2(O)CCC2)CC1 ZINC000930614199 613939128 /nfs/dbraw/zinc/93/91/28/613939128.db2.gz UPIWTBDRLOHMDB-CYBMUJFWSA-N 2 2 286.416 0.087 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H](O)CC(C)(C)O)CC1 ZINC000878667936 613939867 /nfs/dbraw/zinc/93/98/67/613939867.db2.gz FZIAXHMSYAMRBD-CYBMUJFWSA-N 2 2 288.432 0.333 20 0 CCADLP CC(C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000939861742 613975764 /nfs/dbraw/zinc/97/57/64/613975764.db2.gz RTGQSPADIPHVCA-VXGBXAGGSA-N 2 2 250.346 0.728 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@@H](O)C2(O)CCC2)C1 ZINC000899875186 614100106 /nfs/dbraw/zinc/10/01/06/614100106.db2.gz CSUCAVWLIWJEFE-ZIAGYGMSSA-N 2 2 286.416 0.209 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@@H](O)C2(O)CCC2)C1 ZINC000899875186 614100109 /nfs/dbraw/zinc/10/01/09/614100109.db2.gz CSUCAVWLIWJEFE-ZIAGYGMSSA-N 2 2 286.416 0.209 20 0 CCADLP CC(C)C[NH2+]C1(CO)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000912589564 614144009 /nfs/dbraw/zinc/14/40/09/614144009.db2.gz VLBFHKRQYQGTHH-UHFFFAOYSA-N 2 2 294.399 0.551 20 0 CCADLP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)CNc2cccc[nH+]2)C1 ZINC000913427194 614188846 /nfs/dbraw/zinc/18/88/46/614188846.db2.gz DLVZODAMQSNDKQ-LBPRGKRZSA-N 2 2 292.383 0.455 20 0 CCADLP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)CNc2cccc[nH+]2)C1 ZINC000913427194 614188847 /nfs/dbraw/zinc/18/88/47/614188847.db2.gz DLVZODAMQSNDKQ-LBPRGKRZSA-N 2 2 292.383 0.455 20 0 CCADLP CC(C)[C@H](CNC(=[NH2+])NC[C@H]1CCCO1)[NH+]1CCOCC1 ZINC000848983846 614208239 /nfs/dbraw/zinc/20/82/39/614208239.db2.gz MLGVWZZPXHQCIQ-KGLIPLIRSA-N 2 2 298.431 0.636 20 0 CCADLP CC(C)=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962296772 614320075 /nfs/dbraw/zinc/32/00/75/614320075.db2.gz WXBQWSWCJGENMH-FOLVSLTJSA-N 2 2 288.395 0.975 20 0 CCADLP CC(C)=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962296772 614320076 /nfs/dbraw/zinc/32/00/76/614320076.db2.gz WXBQWSWCJGENMH-FOLVSLTJSA-N 2 2 288.395 0.975 20 0 CCADLP CC(C)[NH+]1CCC(C(=O)N[C@@H](CO)c2c[nH+]cn2C)CC1 ZINC000898887265 614324591 /nfs/dbraw/zinc/32/45/91/614324591.db2.gz KEOWTJGVAIGEQO-ZDUSSCGKSA-N 2 2 294.399 0.690 20 0 CCADLP CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC000962138200 614411991 /nfs/dbraw/zinc/41/19/91/614411991.db2.gz BQMZQVINYFYNEA-YABSGUDNSA-N 2 2 262.357 0.799 20 0 CCADLP CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC000962138200 614411992 /nfs/dbraw/zinc/41/19/92/614411992.db2.gz BQMZQVINYFYNEA-YABSGUDNSA-N 2 2 262.357 0.799 20 0 CCADLP CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963026713 614412344 /nfs/dbraw/zinc/41/23/44/614412344.db2.gz ZOXFSMXEZRIYBY-IMRBUKKESA-N 2 2 262.357 0.730 20 0 CCADLP CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC000963026713 614412345 /nfs/dbraw/zinc/41/23/45/614412345.db2.gz ZOXFSMXEZRIYBY-IMRBUKKESA-N 2 2 262.357 0.730 20 0 CCADLP CCCC[C@H](C[NH3+])NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876543187 614482947 /nfs/dbraw/zinc/48/29/47/614482947.db2.gz HNUSKZHNKRCVCT-DIECRNLCSA-N 2 2 269.389 0.509 20 0 CCADLP CCC[NH+]1CC(N(CC)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000950611449 614595279 /nfs/dbraw/zinc/59/52/79/614595279.db2.gz IUUMWNJDDLEDGQ-TZMCWYRMSA-N 2 2 283.416 0.648 20 0 CCADLP CCC[NH+]1CC(N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000950611449 614595282 /nfs/dbraw/zinc/59/52/82/614595282.db2.gz IUUMWNJDDLEDGQ-TZMCWYRMSA-N 2 2 283.416 0.648 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCO)CC1 ZINC000948637633 614659854 /nfs/dbraw/zinc/65/98/54/614659854.db2.gz JKDOPBKAXWXPBS-CQSZACIVSA-N 2 2 283.416 0.387 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCO)CC1 ZINC000948637633 614659856 /nfs/dbraw/zinc/65/98/56/614659856.db2.gz JKDOPBKAXWXPBS-CQSZACIVSA-N 2 2 283.416 0.387 20 0 CCADLP CCC1(CC)CNC(=O)[C@@H]1[NH2+]C[C@H](O)C[N@H+](C)C(C)C ZINC000933287704 614683738 /nfs/dbraw/zinc/68/37/38/614683738.db2.gz ZAQNXRXWRZJVEG-STQMWFEESA-N 2 2 285.432 0.582 20 0 CCADLP CCC1(CC)CNC(=O)[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC000933287704 614683741 /nfs/dbraw/zinc/68/37/41/614683741.db2.gz ZAQNXRXWRZJVEG-STQMWFEESA-N 2 2 285.432 0.582 20 0 CCADLP CCC1(CC)CNC(=O)[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000933287041 614684118 /nfs/dbraw/zinc/68/41/18/614684118.db2.gz SOPZVPNKOJFHCJ-OLZOCXBDSA-N 2 2 283.416 0.336 20 0 CCADLP CCC1(CC)CNC(=O)[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000933287041 614684122 /nfs/dbraw/zinc/68/41/22/614684122.db2.gz SOPZVPNKOJFHCJ-OLZOCXBDSA-N 2 2 283.416 0.336 20 0 CCADLP CCC1(CC)CNC(=O)[C@H]1[NH2+]C[C@H](O)C[N@H+](C)C(C)C ZINC000933287703 614688850 /nfs/dbraw/zinc/68/88/50/614688850.db2.gz ZAQNXRXWRZJVEG-QWHCGFSZSA-N 2 2 285.432 0.582 20 0 CCADLP CCC1(CC)CNC(=O)[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC000933287703 614688853 /nfs/dbraw/zinc/68/88/53/614688853.db2.gz ZAQNXRXWRZJVEG-QWHCGFSZSA-N 2 2 285.432 0.582 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876753257 614719013 /nfs/dbraw/zinc/71/90/13/614719013.db2.gz JENSQZDGDBBYDO-UWVGGRQHSA-N 2 2 291.342 0.053 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876753257 614719016 /nfs/dbraw/zinc/71/90/16/614719016.db2.gz JENSQZDGDBBYDO-UWVGGRQHSA-N 2 2 291.342 0.053 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876753268 614719107 /nfs/dbraw/zinc/71/91/07/614719107.db2.gz JMDSLWIISNIINA-NEPJUHHUSA-N 2 2 287.379 0.161 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876753268 614719110 /nfs/dbraw/zinc/71/91/10/614719110.db2.gz JMDSLWIISNIINA-NEPJUHHUSA-N 2 2 287.379 0.161 20 0 CCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000925631463 614808893 /nfs/dbraw/zinc/80/88/93/614808893.db2.gz ZIYFAGNLOXAFEQ-VXGBXAGGSA-N 2 2 270.373 0.639 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000934431775 614850993 /nfs/dbraw/zinc/85/09/93/614850993.db2.gz FSFDGEQDJDWOTI-BRWVUGGUSA-N 2 2 292.423 0.834 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000934431775 614850995 /nfs/dbraw/zinc/85/09/95/614850995.db2.gz FSFDGEQDJDWOTI-BRWVUGGUSA-N 2 2 292.423 0.834 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000934431775 614850997 /nfs/dbraw/zinc/85/09/97/614850997.db2.gz FSFDGEQDJDWOTI-BRWVUGGUSA-N 2 2 292.423 0.834 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000934431775 614850998 /nfs/dbraw/zinc/85/09/98/614850998.db2.gz FSFDGEQDJDWOTI-BRWVUGGUSA-N 2 2 292.423 0.834 20 0 CCADLP CC1(C)[C@H](NC(=O)C[NH+]2CCCC2)C[C@H]1[NH+]1CCOCC1 ZINC000911841601 614862695 /nfs/dbraw/zinc/86/26/95/614862695.db2.gz HCNLLCIYVPWPCJ-ZIAGYGMSSA-N 2 2 295.427 0.698 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](Cc2nc(C)no2)C1 ZINC000933563285 614866147 /nfs/dbraw/zinc/86/61/47/614866147.db2.gz ANXNQUXBDONSPE-KBPBESRZSA-N 2 2 296.415 0.945 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](Cc2nc(C)no2)C1 ZINC000933563285 614866149 /nfs/dbraw/zinc/86/61/49/614866149.db2.gz ANXNQUXBDONSPE-KBPBESRZSA-N 2 2 296.415 0.945 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](Cc2nc(C)no2)C1 ZINC000933563285 614866151 /nfs/dbraw/zinc/86/61/51/614866151.db2.gz ANXNQUXBDONSPE-KBPBESRZSA-N 2 2 296.415 0.945 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](Cc2nc(C)no2)C1 ZINC000933563285 614866153 /nfs/dbraw/zinc/86/61/53/614866153.db2.gz ANXNQUXBDONSPE-KBPBESRZSA-N 2 2 296.415 0.945 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCOC[C@@H]1OC ZINC000880437471 614866348 /nfs/dbraw/zinc/86/63/48/614866348.db2.gz LLXLRGRNOZJILI-XQQFMLRXSA-N 2 2 260.378 0.035 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCOC[C@@H]1OC ZINC000880437471 614866350 /nfs/dbraw/zinc/86/63/50/614866350.db2.gz LLXLRGRNOZJILI-XQQFMLRXSA-N 2 2 260.378 0.035 20 0 CCADLP CC1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)OCCO1 ZINC000848537118 614902855 /nfs/dbraw/zinc/90/28/55/614902855.db2.gz ZYNOVTGCVFAILL-CYBMUJFWSA-N 2 2 270.373 0.592 20 0 CCADLP CCCONC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000828272195 614949481 /nfs/dbraw/zinc/94/94/81/614949481.db2.gz HFLRJONWZZKZDX-LBPRGKRZSA-N 2 2 284.404 0.796 20 0 CCADLP CCCONC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000828272195 614949483 /nfs/dbraw/zinc/94/94/83/614949483.db2.gz HFLRJONWZZKZDX-LBPRGKRZSA-N 2 2 284.404 0.796 20 0 CCADLP CC1=CC[NH+](CCNC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000907385262 614970703 /nfs/dbraw/zinc/97/07/03/614970703.db2.gz DYJSFKNLQYPFFP-DZGCQCFKSA-N 2 2 281.400 0.210 20 0 CCADLP CC1=CC[NH+](CCNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000907385262 614970705 /nfs/dbraw/zinc/97/07/05/614970705.db2.gz DYJSFKNLQYPFFP-DZGCQCFKSA-N 2 2 281.400 0.210 20 0 CCADLP CC1=CC[N@H+](CCNC(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)CC1 ZINC000907385262 614970707 /nfs/dbraw/zinc/97/07/07/614970707.db2.gz DYJSFKNLQYPFFP-DZGCQCFKSA-N 2 2 281.400 0.210 20 0 CCADLP CC1=CC[N@@H+](CCNC(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)CC1 ZINC000907385262 614970708 /nfs/dbraw/zinc/97/07/08/614970708.db2.gz DYJSFKNLQYPFFP-DZGCQCFKSA-N 2 2 281.400 0.210 20 0 CCADLP CCN(CC)C(=O)C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000817891205 614978071 /nfs/dbraw/zinc/97/80/71/614978071.db2.gz HTRYPCGSWMSRDL-OCCSQVGLSA-N 2 2 269.389 0.211 20 0 CCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000866192020 615009994 /nfs/dbraw/zinc/00/99/94/615009994.db2.gz WWZAOCHYWJWQRM-PWSUYJOCSA-N 2 2 266.345 0.386 20 0 CCADLP CCNC(=O)N1CC[C@@H]([NH2+][C@H]2CC[NH2+]C2(C)C)C1 ZINC000925585868 615055718 /nfs/dbraw/zinc/05/57/18/615055718.db2.gz ATQZQTGXVWQVDT-MNOVXSKESA-N 2 2 254.378 0.520 20 0 CCADLP CCNC(=O)N1CC[C@H]([NH2+][C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000925587781 615056414 /nfs/dbraw/zinc/05/64/14/615056414.db2.gz JTDBTIGTRPSECD-SDDRHHMPSA-N 2 2 254.378 0.520 20 0 CCADLP CCN(OC)C(=O)C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000877607024 615075719 /nfs/dbraw/zinc/07/57/19/615075719.db2.gz UJVWZHMZGXJVPD-UHFFFAOYSA-N 2 2 287.404 0.221 20 0 CCADLP CCN1C(=O)[C@H]2C[N@H+](C[C@H]3CCCC[NH2+]C3)CCN2C1=O ZINC000903734127 615080476 /nfs/dbraw/zinc/08/04/76/615080476.db2.gz OUURMFPNDKJIKN-QWHCGFSZSA-N 2 2 294.399 0.344 20 0 CCADLP CCN1C(=O)[C@H]2C[N@@H+](C[C@H]3CCCC[NH2+]C3)CCN2C1=O ZINC000903734127 615080477 /nfs/dbraw/zinc/08/04/77/615080477.db2.gz OUURMFPNDKJIKN-QWHCGFSZSA-N 2 2 294.399 0.344 20 0 CCADLP CCNS(=O)(=O)[C@H]1CC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904328328 615108688 /nfs/dbraw/zinc/10/86/88/615108688.db2.gz CORKMTPNRQQGFH-QWHCGFSZSA-N 2 2 289.445 0.390 20 0 CCADLP CCNS(=O)(=O)[C@H]1CC[N@@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904328328 615108690 /nfs/dbraw/zinc/10/86/90/615108690.db2.gz CORKMTPNRQQGFH-QWHCGFSZSA-N 2 2 289.445 0.390 20 0 CCADLP CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CCO1 ZINC000979280783 615111756 /nfs/dbraw/zinc/11/17/56/615111756.db2.gz QEHZQPYPBUDBGS-NWDGAFQWSA-N 2 2 280.372 0.568 20 0 CCADLP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925493771 615159179 /nfs/dbraw/zinc/15/91/79/615159179.db2.gz ZCZAHWULEPNCGT-LSDHHAIUSA-N 3 2 282.476 0.990 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C)[C@H](C(C)(C)C)C2)C1 ZINC000880612458 615169392 /nfs/dbraw/zinc/16/93/92/615169392.db2.gz IAXYWGCBGLLQCH-KGLIPLIRSA-N 2 2 297.443 0.896 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](C)[C@H](C(C)(C)C)C2)C1 ZINC000880612458 615169393 /nfs/dbraw/zinc/16/93/93/615169393.db2.gz IAXYWGCBGLLQCH-KGLIPLIRSA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](C)[C@H](C(C)(C)C)C2)C1 ZINC000880612458 615169395 /nfs/dbraw/zinc/16/93/95/615169395.db2.gz IAXYWGCBGLLQCH-KGLIPLIRSA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)C1 ZINC000880612458 615169396 /nfs/dbraw/zinc/16/93/96/615169396.db2.gz IAXYWGCBGLLQCH-KGLIPLIRSA-N 2 2 297.443 0.896 20 0 CCADLP CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000972683128 615177000 /nfs/dbraw/zinc/17/70/00/615177000.db2.gz LUOKEMGVOSMBJM-HNNXBMFYSA-N 2 2 292.383 0.515 20 0 CCADLP CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC000972683128 615177003 /nfs/dbraw/zinc/17/70/03/615177003.db2.gz LUOKEMGVOSMBJM-HNNXBMFYSA-N 2 2 292.383 0.515 20 0 CCADLP CCOCCCNC(=[NH2+])NCCc1cn(C)c[nH+]1 ZINC000849040515 615242332 /nfs/dbraw/zinc/24/23/32/615242332.db2.gz ZQNTVFGNKQNBCQ-UHFFFAOYSA-N 2 2 253.350 0.503 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000883348608 615320015 /nfs/dbraw/zinc/32/00/15/615320015.db2.gz XUFXJFLVCYDRIU-KBPBESRZSA-N 2 2 297.447 0.016 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000883348608 615320017 /nfs/dbraw/zinc/32/00/17/615320017.db2.gz XUFXJFLVCYDRIU-KBPBESRZSA-N 2 2 297.447 0.016 20 0 CCADLP CCN1C[C@H](C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)OC1=O ZINC000852762173 615403817 /nfs/dbraw/zinc/40/38/17/615403817.db2.gz IGSXACSCXXTIGV-KGLIPLIRSA-N 2 2 299.415 0.870 20 0 CCADLP CCN1C[C@H](C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)OC1=O ZINC000852762173 615403818 /nfs/dbraw/zinc/40/38/18/615403818.db2.gz IGSXACSCXXTIGV-KGLIPLIRSA-N 2 2 299.415 0.870 20 0 CCADLP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000960648745 615438947 /nfs/dbraw/zinc/43/89/47/615438947.db2.gz ZSSFRABMZULQTH-NMKXLXIOSA-N 2 2 274.368 0.512 20 0 CCADLP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000960648745 615438949 /nfs/dbraw/zinc/43/89/49/615438949.db2.gz ZSSFRABMZULQTH-NMKXLXIOSA-N 2 2 274.368 0.512 20 0 CCADLP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000960648735 615440227 /nfs/dbraw/zinc/44/02/27/615440227.db2.gz ZSSFRABMZULQTH-CIQGVGRVSA-N 2 2 274.368 0.512 20 0 CCADLP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000960648735 615440228 /nfs/dbraw/zinc/44/02/28/615440228.db2.gz ZSSFRABMZULQTH-CIQGVGRVSA-N 2 2 274.368 0.512 20 0 CCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865126825 615454313 /nfs/dbraw/zinc/45/43/13/615454313.db2.gz VYMSHFMAXMXZDN-VBROQKIQSA-N 2 2 283.416 0.721 20 0 CCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865126825 615454316 /nfs/dbraw/zinc/45/43/16/615454316.db2.gz VYMSHFMAXMXZDN-VBROQKIQSA-N 2 2 283.416 0.721 20 0 CCADLP CC[C@H](C(=O)NC[C@@H]1CCC[NH2+]1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911750883 615565072 /nfs/dbraw/zinc/56/50/72/615565072.db2.gz GIBDDKSNOBHEOL-BFHYXJOUSA-N 2 2 283.416 0.744 20 0 CCADLP CC[C@H](C(=O)NC[C@@H]1CCC[NH2+]1)[N@H+]1CCO[C@H](CC)C1 ZINC000911750883 615565073 /nfs/dbraw/zinc/56/50/73/615565073.db2.gz GIBDDKSNOBHEOL-BFHYXJOUSA-N 2 2 283.416 0.744 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000877432394 615568313 /nfs/dbraw/zinc/56/83/13/615568313.db2.gz CWJFLKVFICDTBO-ZIAGYGMSSA-N 2 2 283.416 0.603 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000877432394 615568314 /nfs/dbraw/zinc/56/83/14/615568314.db2.gz CWJFLKVFICDTBO-ZIAGYGMSSA-N 2 2 283.416 0.603 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000877432383 615568589 /nfs/dbraw/zinc/56/85/89/615568589.db2.gz COXJVVICAWAGCZ-JHJVBQTASA-N 2 2 287.379 0.161 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000877432383 615568590 /nfs/dbraw/zinc/56/85/90/615568590.db2.gz COXJVVICAWAGCZ-JHJVBQTASA-N 2 2 287.379 0.161 20 0 CCADLP CCn1nc(C)c(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])n1 ZINC000818615034 615665450 /nfs/dbraw/zinc/66/54/50/615665450.db2.gz KWLVTVVYVGDNFD-YUSALJHKSA-N 2 2 267.377 0.448 20 0 CCADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC000905123784 615711579 /nfs/dbraw/zinc/71/15/79/615711579.db2.gz ZUKMNGXETFKYOH-KFWWJZLASA-N 2 2 286.416 0.353 20 0 CCADLP CC[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C(=O)N1CCOCC1 ZINC000925540581 615823727 /nfs/dbraw/zinc/82/37/27/615823727.db2.gz HMPJQQQONXDMFY-UQGHGMQMSA-N 2 2 293.411 0.210 20 0 CCADLP CN(C)C(=O)c1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)[nH]1 ZINC000904420173 615835198 /nfs/dbraw/zinc/83/51/98/615835198.db2.gz FKSZNUWCPSGCOS-NWDGAFQWSA-N 2 2 276.384 0.758 20 0 CCADLP CN(C)C(=O)c1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)[nH]1 ZINC000904420173 615835200 /nfs/dbraw/zinc/83/52/00/615835200.db2.gz FKSZNUWCPSGCOS-NWDGAFQWSA-N 2 2 276.384 0.758 20 0 CCADLP C[NH+](C)C1(C[NH2+]Cc2cc[nH]c(=O)c2)CCOCC1 ZINC000921743767 615851527 /nfs/dbraw/zinc/85/15/27/615851527.db2.gz RIHYXHGHOAFRNL-UHFFFAOYSA-N 2 2 265.357 0.988 20 0 CCADLP C[NH+](C)C1CC(NC(=O)CCCn2cc[nH+]c2)C1 ZINC000816523793 615853509 /nfs/dbraw/zinc/85/35/09/615853509.db2.gz FCJSSMHFFSNSCS-UHFFFAOYSA-N 2 2 250.346 0.872 20 0 CCADLP C[NH+](C)CCONC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897877770 615908652 /nfs/dbraw/zinc/90/86/52/615908652.db2.gz UBYJSQWHYJCJKL-LBPRGKRZSA-N 2 2 281.360 0.399 20 0 CCADLP C[NH+](C)CCONC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000897877770 615908654 /nfs/dbraw/zinc/90/86/54/615908654.db2.gz UBYJSQWHYJCJKL-LBPRGKRZSA-N 2 2 281.360 0.399 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000908442314 615908807 /nfs/dbraw/zinc/90/88/07/615908807.db2.gz DQONERSRVDLAHK-UONOGXRCSA-N 2 2 281.400 0.260 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000908442314 615908809 /nfs/dbraw/zinc/90/88/09/615908809.db2.gz DQONERSRVDLAHK-UONOGXRCSA-N 2 2 281.400 0.260 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)NC[C@@H]1CC[NH+]1C ZINC000925424256 615909259 /nfs/dbraw/zinc/90/92/59/615909259.db2.gz LGUDWKDOSWYQDF-RYUDHWBXSA-N 2 2 254.378 0.426 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H]1CC[NH+]1C ZINC000925424256 615909262 /nfs/dbraw/zinc/90/92/62/615909262.db2.gz LGUDWKDOSWYQDF-RYUDHWBXSA-N 2 2 254.378 0.426 20 0 CCADLP CC[C@H]1C[NH+](C)CCN1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925424256 615909263 /nfs/dbraw/zinc/90/92/63/615909263.db2.gz LGUDWKDOSWYQDF-RYUDHWBXSA-N 2 2 254.378 0.426 20 0 CCADLP CC[C@H]1C[NH+](C)CCN1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000925424256 615909266 /nfs/dbraw/zinc/90/92/66/615909266.db2.gz LGUDWKDOSWYQDF-RYUDHWBXSA-N 2 2 254.378 0.426 20 0 CCADLP CC[C@H]1C[N@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)CCO1 ZINC000903879331 615914603 /nfs/dbraw/zinc/91/46/03/615914603.db2.gz YNPSABRRDQFBEY-HIFRSBDPSA-N 2 2 280.416 0.957 20 0 CCADLP CC[C@H]1C[N@@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)CCO1 ZINC000903879331 615914607 /nfs/dbraw/zinc/91/46/07/615914607.db2.gz YNPSABRRDQFBEY-HIFRSBDPSA-N 2 2 280.416 0.957 20 0 CCADLP CC[C@@H](C(=O)NC(C)(C)C[NH3+])[N@@H+]1CCO[C@@H](CC)C1 ZINC000911761451 615917331 /nfs/dbraw/zinc/91/73/31/615917331.db2.gz AIUPWDIRDDHPIA-RYUDHWBXSA-N 2 2 271.405 0.729 20 0 CCADLP CC[C@@H](C(=O)NC(C)(C)C[NH3+])[N@H+]1CCO[C@@H](CC)C1 ZINC000911761451 615917333 /nfs/dbraw/zinc/91/73/33/615917333.db2.gz AIUPWDIRDDHPIA-RYUDHWBXSA-N 2 2 271.405 0.729 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000877432104 615926202 /nfs/dbraw/zinc/92/62/02/615926202.db2.gz ASWVDKTUWOMOQZ-NWDGAFQWSA-N 2 2 257.378 0.211 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000877432104 615926199 /nfs/dbraw/zinc/92/61/99/615926199.db2.gz ASWVDKTUWOMOQZ-NWDGAFQWSA-N 2 2 257.378 0.211 20 0 CCADLP CN(C)C(=O)CC[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880207135 615954350 /nfs/dbraw/zinc/95/43/50/615954350.db2.gz SAUAYSPRCBICQT-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP CN(C)C(=O)CC[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880207135 615954351 /nfs/dbraw/zinc/95/43/51/615954351.db2.gz SAUAYSPRCBICQT-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C)c1ccco1 ZINC000899957158 615990713 /nfs/dbraw/zinc/99/07/13/615990713.db2.gz JHMLOXOPKGFSEU-YWPYICTPSA-N 2 2 295.383 0.454 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C)c1ccco1 ZINC000899957158 615990714 /nfs/dbraw/zinc/99/07/14/615990714.db2.gz JHMLOXOPKGFSEU-YWPYICTPSA-N 2 2 295.383 0.454 20 0 CCADLP C[N@@H+](CC(=O)N1CCOCC1)C[C@@H]1CCCC[NH2+]C1 ZINC000903722879 616044646 /nfs/dbraw/zinc/04/46/46/616044646.db2.gz FBJKOKDVXCHHJS-CYBMUJFWSA-N 2 2 269.389 0.167 20 0 CCADLP C[N@H+](CC(=O)N1CCOCC1)C[C@@H]1CCCC[NH2+]C1 ZINC000903722879 616044647 /nfs/dbraw/zinc/04/46/47/616044647.db2.gz FBJKOKDVXCHHJS-CYBMUJFWSA-N 2 2 269.389 0.167 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+](CC[C@H]2CCOC2=O)CC1 ZINC000120619413 616075814 /nfs/dbraw/zinc/07/58/14/616075814.db2.gz BZKMPJXTZYWMMX-ZDUSSCGKSA-N 2 2 284.400 0.718 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+](CC[C@H]2CCOC2=O)CC1 ZINC000120619413 616075815 /nfs/dbraw/zinc/07/58/15/616075815.db2.gz BZKMPJXTZYWMMX-ZDUSSCGKSA-N 2 2 284.400 0.718 20 0 CCADLP C[N@H+](CCF)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980538187 616080869 /nfs/dbraw/zinc/08/08/69/616080869.db2.gz BLRJYFNHQNNXFD-NSHDSACASA-N 2 2 254.309 0.385 20 0 CCADLP C[N@@H+](CCF)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980538187 616080870 /nfs/dbraw/zinc/08/08/70/616080870.db2.gz BLRJYFNHQNNXFD-NSHDSACASA-N 2 2 254.309 0.385 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)NCC1([NH+](C)C)CC1 ZINC000923010634 616089611 /nfs/dbraw/zinc/08/96/11/616089611.db2.gz WYKIKJXQGLKMDZ-UHFFFAOYSA-N 2 2 284.404 0.054 20 0 CCADLP CN(CC[N@H+](C)CCO)C(=O)CCCn1cc[nH+]c1 ZINC000912606092 616100028 /nfs/dbraw/zinc/10/00/28/616100028.db2.gz KBTVFQOBPIMDKM-UHFFFAOYSA-N 2 2 268.361 0.046 20 0 CCADLP CN(CC[N@@H+](C)CCO)C(=O)CCCn1cc[nH+]c1 ZINC000912606092 616100029 /nfs/dbraw/zinc/10/00/29/616100029.db2.gz KBTVFQOBPIMDKM-UHFFFAOYSA-N 2 2 268.361 0.046 20 0 CCADLP C[N@H+](CCO)CCNc1cc(N2CCCC2)[nH+]cn1 ZINC000884824621 616108286 /nfs/dbraw/zinc/10/82/86/616108286.db2.gz FEMQPJHVPAXJES-UHFFFAOYSA-N 2 2 265.361 0.413 20 0 CCADLP C[N@@H+](CCO)CCNc1cc(N2CCCC2)[nH+]cn1 ZINC000884824621 616108287 /nfs/dbraw/zinc/10/82/87/616108287.db2.gz FEMQPJHVPAXJES-UHFFFAOYSA-N 2 2 265.361 0.413 20 0 CCADLP C[N@H+](CCO)[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000972729363 616112376 /nfs/dbraw/zinc/11/23/76/616112376.db2.gz NQDITSGIGSMWME-NSHDSACASA-N 2 2 280.372 0.212 20 0 CCADLP C[N@@H+](CCO)[C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000972729363 616112378 /nfs/dbraw/zinc/11/23/78/616112378.db2.gz NQDITSGIGSMWME-NSHDSACASA-N 2 2 280.372 0.212 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H]1COC(C)(C)O1)C1CC1 ZINC000819154793 616131910 /nfs/dbraw/zinc/13/19/10/616131910.db2.gz MENRIIFTLWHEBI-NWDGAFQWSA-N 2 2 258.362 0.183 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H]1COC(C)(C)O1)C1CC1 ZINC000819154793 616131911 /nfs/dbraw/zinc/13/19/11/616131911.db2.gz MENRIIFTLWHEBI-NWDGAFQWSA-N 2 2 258.362 0.183 20 0 CCADLP CN(C(=O)COC1CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000879167410 616172324 /nfs/dbraw/zinc/17/23/24/616172324.db2.gz HORPDSVTBMTCLZ-AWEZNQCLSA-N 2 2 295.427 0.792 20 0 CCADLP CN(C(=O)COC1CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000879167410 616172325 /nfs/dbraw/zinc/17/23/25/616172325.db2.gz HORPDSVTBMTCLZ-AWEZNQCLSA-N 2 2 295.427 0.792 20 0 CCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC000901103113 616197868 /nfs/dbraw/zinc/19/78/68/616197868.db2.gz BBUFVLNXWRYIQZ-DGCLKSJQSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC000901103113 616197869 /nfs/dbraw/zinc/19/78/69/616197869.db2.gz BBUFVLNXWRYIQZ-DGCLKSJQSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CC[C@H]1CCNC1=O ZINC000880141386 616199302 /nfs/dbraw/zinc/19/93/02/616199302.db2.gz IDTHWXHHWSAGDW-FRRDWIJNSA-N 2 2 251.374 0.681 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CC[C@H]1CCNC1=O ZINC000880141386 616199303 /nfs/dbraw/zinc/19/93/03/616199303.db2.gz IDTHWXHHWSAGDW-FRRDWIJNSA-N 2 2 251.374 0.681 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC[C@H]1CCNC1=O ZINC000880141386 616199304 /nfs/dbraw/zinc/19/93/04/616199304.db2.gz IDTHWXHHWSAGDW-FRRDWIJNSA-N 2 2 251.374 0.681 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CC[C@H]1CCNC1=O ZINC000880141386 616199305 /nfs/dbraw/zinc/19/93/05/616199305.db2.gz IDTHWXHHWSAGDW-FRRDWIJNSA-N 2 2 251.374 0.681 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@@H](O)C1(O)CCCC1 ZINC000931622845 616200300 /nfs/dbraw/zinc/20/03/00/616200300.db2.gz SWIBZPQCRYRGFZ-MGPQQGTHSA-N 2 2 268.401 0.821 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@@H](O)C1(O)CCCC1 ZINC000931622845 616200301 /nfs/dbraw/zinc/20/03/01/616200301.db2.gz SWIBZPQCRYRGFZ-MGPQQGTHSA-N 2 2 268.401 0.821 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H](O)C1(O)CCCC1 ZINC000931622845 616200302 /nfs/dbraw/zinc/20/03/02/616200302.db2.gz SWIBZPQCRYRGFZ-MGPQQGTHSA-N 2 2 268.401 0.821 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@@H](O)C1(O)CCCC1 ZINC000931622845 616200303 /nfs/dbraw/zinc/20/03/03/616200303.db2.gz SWIBZPQCRYRGFZ-MGPQQGTHSA-N 2 2 268.401 0.821 20 0 CCADLP C[N@@H+]1CCC[C@]2(CC[NH+]([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC000815144200 616219592 /nfs/dbraw/zinc/21/95/92/616219592.db2.gz CLEPOYCOUSUZAY-RISCZKNCSA-N 2 2 265.357 0.209 20 0 CCADLP C[N@H+]1CCC[C@]2(CC[NH+]([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC000815144200 616219593 /nfs/dbraw/zinc/21/95/93/616219593.db2.gz CLEPOYCOUSUZAY-RISCZKNCSA-N 2 2 265.357 0.209 20 0 CCADLP C[NH+]1CCC[C@]2(CC[N@@H+]([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC000815144200 616219594 /nfs/dbraw/zinc/21/95/94/616219594.db2.gz CLEPOYCOUSUZAY-RISCZKNCSA-N 2 2 265.357 0.209 20 0 CCADLP C[NH+]1CCC[C@]2(CC[N@H+]([C@@H]3CCC(=O)NC3=O)C2)C1 ZINC000815144200 616219595 /nfs/dbraw/zinc/21/95/95/616219595.db2.gz CLEPOYCOUSUZAY-RISCZKNCSA-N 2 2 265.357 0.209 20 0 CCADLP C[N@@H+]1CCN(Cc2cccc3c2CC[NH2+]C3)[C@@H](C[NH3+])C1 ZINC000903918402 616245280 /nfs/dbraw/zinc/24/52/80/616245280.db2.gz YPQAPHHJZXHVEJ-HNNXBMFYSA-N 3 2 274.412 0.407 20 0 CCADLP C[N@H+]1CCN(Cc2cccc3c2CC[NH2+]C3)[C@@H](C[NH3+])C1 ZINC000903918402 616245281 /nfs/dbraw/zinc/24/52/81/616245281.db2.gz YPQAPHHJZXHVEJ-HNNXBMFYSA-N 3 2 274.412 0.407 20 0 CCADLP C[N@@H+]1CC[C@@H]1CNC1CC[NH+](CC(C)(C)O)CC1 ZINC000896596339 616302870 /nfs/dbraw/zinc/30/28/70/616302870.db2.gz XMLKDKUXWQKJKK-CYBMUJFWSA-N 2 2 255.406 0.515 20 0 CCADLP C[N@H+]1CC[C@@H]1CNC1CC[NH+](CC(C)(C)O)CC1 ZINC000896596339 616302874 /nfs/dbraw/zinc/30/28/74/616302874.db2.gz XMLKDKUXWQKJKK-CYBMUJFWSA-N 2 2 255.406 0.515 20 0 CCADLP COC(C[NH+]1CCC(CO)([NH2+]CC(C)C)CC1)OC ZINC000852123003 616317267 /nfs/dbraw/zinc/31/72/67/616317267.db2.gz CRZIMBCZOROUBV-UHFFFAOYSA-N 2 2 274.405 0.678 20 0 CCADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000912613979 616317953 /nfs/dbraw/zinc/31/79/53/616317953.db2.gz GCWKCBZPGQPVRL-FZMZJTMJSA-N 2 2 280.372 0.190 20 0 CCADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC(C)(C)n1cc[nH+]c1 ZINC000912613979 616317959 /nfs/dbraw/zinc/31/79/59/616317959.db2.gz GCWKCBZPGQPVRL-FZMZJTMJSA-N 2 2 280.372 0.190 20 0 CCADLP COC(=O)C(C)(C)N1CC[NH+](C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904342266 616341033 /nfs/dbraw/zinc/34/10/33/616341033.db2.gz BEMIKRPLGHDOMH-MRXNPFEDSA-N 2 2 297.443 0.945 20 0 CCADLP Cn1nc2c(c1C[NH2+]C[C@]1(O)CC[N@H+](C)C1)CSCC2 ZINC000883088494 616351339 /nfs/dbraw/zinc/35/13/39/616351339.db2.gz HDFHSKFBEILZEE-CQSZACIVSA-N 2 2 296.440 0.366 20 0 CCADLP Cn1nc2c(c1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1)CSCC2 ZINC000883088494 616351342 /nfs/dbraw/zinc/35/13/42/616351342.db2.gz HDFHSKFBEILZEE-CQSZACIVSA-N 2 2 296.440 0.366 20 0 CCADLP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC[NH+]1CCC[C@H]1C(N)=O ZINC000926750791 616362961 /nfs/dbraw/zinc/36/29/61/616362961.db2.gz URNVKSJOGHHKRY-MBOZISHXSA-N 3 2 294.443 0.256 20 0 CCADLP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC[NH+]1CCC[C@H]1C(N)=O ZINC000926750791 616362962 /nfs/dbraw/zinc/36/29/62/616362962.db2.gz URNVKSJOGHHKRY-MBOZISHXSA-N 3 2 294.443 0.256 20 0 CCADLP C[NH+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000926750791 616362964 /nfs/dbraw/zinc/36/29/64/616362964.db2.gz URNVKSJOGHHKRY-MBOZISHXSA-N 3 2 294.443 0.256 20 0 CCADLP C[NH+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000926750791 616362966 /nfs/dbraw/zinc/36/29/66/616362966.db2.gz URNVKSJOGHHKRY-MBOZISHXSA-N 3 2 294.443 0.256 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000932687492 616365874 /nfs/dbraw/zinc/36/58/74/616365874.db2.gz CQYISJPDNOIIDK-CQSZACIVSA-N 2 2 283.416 0.650 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000932687492 616365877 /nfs/dbraw/zinc/36/58/77/616365877.db2.gz CQYISJPDNOIIDK-CQSZACIVSA-N 2 2 283.416 0.650 20 0 CCADLP C[N@@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC000887933461 616377956 /nfs/dbraw/zinc/37/79/56/616377956.db2.gz SDYWPRRFIQNCTK-OCCSQVGLSA-N 2 2 262.357 0.683 20 0 CCADLP C[N@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC000887933461 616377960 /nfs/dbraw/zinc/37/79/60/616377960.db2.gz SDYWPRRFIQNCTK-OCCSQVGLSA-N 2 2 262.357 0.683 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC000944444870 616391579 /nfs/dbraw/zinc/39/15/79/616391579.db2.gz LZZXMQRPSLOGDC-DGCLKSJQSA-N 2 2 294.399 0.734 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC000944444870 616391583 /nfs/dbraw/zinc/39/15/83/616391583.db2.gz LZZXMQRPSLOGDC-DGCLKSJQSA-N 2 2 294.399 0.734 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941247339 616392412 /nfs/dbraw/zinc/39/24/12/616392412.db2.gz IXBUVJXOFGTRFV-CYBMUJFWSA-N 2 2 294.399 0.746 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941247339 616392418 /nfs/dbraw/zinc/39/24/18/616392418.db2.gz IXBUVJXOFGTRFV-CYBMUJFWSA-N 2 2 294.399 0.746 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000948091053 616392710 /nfs/dbraw/zinc/39/27/10/616392710.db2.gz SQIZXDFTDHVZQG-QWHCGFSZSA-N 2 2 280.372 0.499 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000948091053 616392712 /nfs/dbraw/zinc/39/27/12/616392712.db2.gz SQIZXDFTDHVZQG-QWHCGFSZSA-N 2 2 280.372 0.499 20 0 CCADLP COC(=O)C12CC(C1)C[N@@H+]2C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903767279 616401796 /nfs/dbraw/zinc/40/17/96/616401796.db2.gz VGWYTZZSVHBSBX-PBOMKEBTSA-N 2 2 280.368 0.392 20 0 CCADLP COC(=O)C12CC(C1)C[N@H+]2C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903767279 616401799 /nfs/dbraw/zinc/40/17/99/616401799.db2.gz VGWYTZZSVHBSBX-PBOMKEBTSA-N 2 2 280.368 0.392 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)C1CC1 ZINC000931436746 616444366 /nfs/dbraw/zinc/44/43/66/616444366.db2.gz LFMYUZBDFBVSEQ-GUTXKFCHSA-N 3 2 267.417 0.325 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)C1CC1 ZINC000931436746 616444369 /nfs/dbraw/zinc/44/43/69/616444369.db2.gz LFMYUZBDFBVSEQ-GUTXKFCHSA-N 3 2 267.417 0.325 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)C1CC1 ZINC000931436746 616444374 /nfs/dbraw/zinc/44/43/74/616444374.db2.gz LFMYUZBDFBVSEQ-GUTXKFCHSA-N 3 2 267.417 0.325 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)C1CC1 ZINC000931436746 616444378 /nfs/dbraw/zinc/44/43/78/616444378.db2.gz LFMYUZBDFBVSEQ-GUTXKFCHSA-N 3 2 267.417 0.325 20 0 CCADLP C[N@@H+]1CC[C@H]2C[NH+](CCN3CCNC3=O)CC[C@@H]21 ZINC000879581336 616444721 /nfs/dbraw/zinc/44/47/21/616444721.db2.gz YMOFMANRFXDVPS-RYUDHWBXSA-N 2 2 252.362 0.038 20 0 CCADLP C[N@H+]1CC[C@H]2C[NH+](CCN3CCNC3=O)CC[C@@H]21 ZINC000879581336 616444723 /nfs/dbraw/zinc/44/47/23/616444723.db2.gz YMOFMANRFXDVPS-RYUDHWBXSA-N 2 2 252.362 0.038 20 0 CCADLP C[NH+]1CC[C@H]2C[N@H+](CCN3CCNC3=O)CC[C@@H]21 ZINC000879581336 616444725 /nfs/dbraw/zinc/44/47/25/616444725.db2.gz YMOFMANRFXDVPS-RYUDHWBXSA-N 2 2 252.362 0.038 20 0 CCADLP C[NH+]1CC[C@H]2C[N@@H+](CCN3CCNC3=O)CC[C@@H]21 ZINC000879581336 616444726 /nfs/dbraw/zinc/44/47/26/616444726.db2.gz YMOFMANRFXDVPS-RYUDHWBXSA-N 2 2 252.362 0.038 20 0 CCADLP COCC[N@H+]1[C@H](C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C ZINC000844024591 616474670 /nfs/dbraw/zinc/47/46/70/616474670.db2.gz NCZNKAMRIXKELD-BETUJISGSA-N 2 2 294.399 0.910 20 0 CCADLP COCC[N@@H+]1[C@H](C)CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C ZINC000844024591 616474673 /nfs/dbraw/zinc/47/46/73/616474673.db2.gz NCZNKAMRIXKELD-BETUJISGSA-N 2 2 294.399 0.910 20 0 CCADLP COC1(OC)CC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000926744751 616484446 /nfs/dbraw/zinc/48/44/46/616484446.db2.gz KPACLYBKVDWZEF-NWDGAFQWSA-N 2 2 285.388 0.067 20 0 CCADLP COC1(OC)CC[C@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000926744751 616484447 /nfs/dbraw/zinc/48/44/47/616484447.db2.gz KPACLYBKVDWZEF-NWDGAFQWSA-N 2 2 285.388 0.067 20 0 CCADLP COC(=O)[C@@H]1[C@@H](C[NH2+][C@@H]2CCn3cc[nH+]c3C2)C1(F)F ZINC000894492584 616505900 /nfs/dbraw/zinc/50/59/00/616505900.db2.gz CUAFUNSTJZOVMZ-KKZNHRDASA-N 2 2 285.294 0.842 20 0 CCADLP C[N@@H+]1C[C@H]2CCN(C(=O)NCCCn3cc[nH+]c3)[C@H]2C1 ZINC000891426010 616506894 /nfs/dbraw/zinc/50/68/94/616506894.db2.gz HGLZBSKZWPCSHD-OLZOCXBDSA-N 2 2 277.372 0.619 20 0 CCADLP C[N@H+]1C[C@H]2CCN(C(=O)NCCCn3cc[nH+]c3)[C@H]2C1 ZINC000891426010 616506898 /nfs/dbraw/zinc/50/68/98/616506898.db2.gz HGLZBSKZWPCSHD-OLZOCXBDSA-N 2 2 277.372 0.619 20 0 CCADLP COCC[NH2+]CC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000867998962 616507371 /nfs/dbraw/zinc/50/73/71/616507371.db2.gz NGJCVHRHPGQOOD-CQSZACIVSA-N 2 2 277.368 0.525 20 0 CCADLP COCC[NH2+]CC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000867998962 616507373 /nfs/dbraw/zinc/50/73/73/616507373.db2.gz NGJCVHRHPGQOOD-CQSZACIVSA-N 2 2 277.368 0.525 20 0 CCADLP COCCOCCOCC[N@@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903804432 616551343 /nfs/dbraw/zinc/55/13/43/616551343.db2.gz GKSJKLYZECVIRV-CABCVRRESA-N 2 2 286.416 0.869 20 0 CCADLP COCCOCCOCC[N@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903804432 616551345 /nfs/dbraw/zinc/55/13/45/616551345.db2.gz GKSJKLYZECVIRV-CABCVRRESA-N 2 2 286.416 0.869 20 0 CCADLP COC(=O)CN(C)C(=O)CC[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880133837 616584393 /nfs/dbraw/zinc/58/43/93/616584393.db2.gz QRUDUECDEFWODN-OLZOCXBDSA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)CN(C)C(=O)CC[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880133837 616584395 /nfs/dbraw/zinc/58/43/95/616584395.db2.gz QRUDUECDEFWODN-OLZOCXBDSA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)CN(C)C(=O)CC[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880133837 616584398 /nfs/dbraw/zinc/58/43/98/616584398.db2.gz QRUDUECDEFWODN-OLZOCXBDSA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)CN(C)C(=O)CC[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880133837 616584400 /nfs/dbraw/zinc/58/44/00/616584400.db2.gz QRUDUECDEFWODN-OLZOCXBDSA-N 2 2 297.399 0.176 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000923393482 616623182 /nfs/dbraw/zinc/62/31/82/616623182.db2.gz RBVZVQJALOHPDM-LQULJDIASA-N 2 2 286.416 0.602 20 0 CCADLP COCC[C@@H]1C[NH2+]CCN1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000899247072 616646766 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COC(=O)NCC[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000819355914 616896542 /nfs/dbraw/zinc/89/65/42/616896542.db2.gz VQQJNENBOYGFDR-CQSZACIVSA-N 2 2 295.383 0.425 20 0 CCADLP COC(=O)NCC[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000819355914 616896546 /nfs/dbraw/zinc/89/65/46/616896546.db2.gz VQQJNENBOYGFDR-CQSZACIVSA-N 2 2 295.383 0.425 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCc2cccc(NC(C)=O)c2C1 ZINC000866683907 616987672 /nfs/dbraw/zinc/98/76/72/616987672.db2.gz HCRMSYLCUOYTMO-MRXNPFEDSA-N 2 2 291.395 0.974 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCc2cccc(NC(C)=O)c2C1 ZINC000866683907 616987673 /nfs/dbraw/zinc/98/76/73/616987673.db2.gz HCRMSYLCUOYTMO-MRXNPFEDSA-N 2 2 291.395 0.974 20 0 CCADLP COCCN(CC1CC[NH+](C)CC1)C(=O)Cn1cc[nH+]c1 ZINC000869763649 616990073 /nfs/dbraw/zinc/99/00/73/616990073.db2.gz ZTIFYXJSAXRPOH-UHFFFAOYSA-N 2 2 294.399 0.700 20 0 CCADLP COCC[N@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@@H](C)C(N)=O ZINC000873204494 617027378 /nfs/dbraw/zinc/02/73/78/617027378.db2.gz DRTCXVONAJXDHR-JTQLQIEISA-N 2 2 297.424 0.716 20 0 CCADLP COCC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)[C@@H](C)C(N)=O ZINC000873204494 617027381 /nfs/dbraw/zinc/02/73/81/617027381.db2.gz DRTCXVONAJXDHR-JTQLQIEISA-N 2 2 297.424 0.716 20 0 CCADLP COC[C@H](C)[NH+]1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000948770874 617064444 /nfs/dbraw/zinc/06/44/44/617064444.db2.gz HNEYBVUIRANYLM-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP COC[C@H](C)[NH+]1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000948770874 617064447 /nfs/dbraw/zinc/06/44/47/617064447.db2.gz HNEYBVUIRANYLM-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP CON1CC[C@@H]([N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)C1=O ZINC000903452168 617093956 /nfs/dbraw/zinc/09/39/56/617093956.db2.gz IBTKUVOZCFTKCU-DGCLKSJQSA-N 2 2 253.346 0.224 20 0 CCADLP CON1CC[C@@H]([N@H+]2CC[C@]3(C2)CCC[NH2+]C3)C1=O ZINC000903452168 617093957 /nfs/dbraw/zinc/09/39/57/617093957.db2.gz IBTKUVOZCFTKCU-DGCLKSJQSA-N 2 2 253.346 0.224 20 0 CCADLP CON1CC[C@H]([N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)C1=O ZINC000903452172 617098823 /nfs/dbraw/zinc/09/88/23/617098823.db2.gz IBTKUVOZCFTKCU-WCQYABFASA-N 2 2 253.346 0.224 20 0 CCADLP CON1CC[C@H]([N@H+]2CC[C@]3(C2)CCC[NH2+]C3)C1=O ZINC000903452172 617098825 /nfs/dbraw/zinc/09/88/25/617098825.db2.gz IBTKUVOZCFTKCU-WCQYABFASA-N 2 2 253.346 0.224 20 0 CCADLP CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]21 ZINC001026387485 625423418 /nfs/dbraw/zinc/42/34/18/625423418.db2.gz BESJNRFWQMRXAB-SDDRHHMPSA-N 2 2 262.357 0.799 20 0 CCADLP c1nc2c([nH]1)C[C@H]([NH2+][C@H]1[C@@H]3[NH2+]C[C@@H]4C[C@H]1C[C@@H]43)CC2 ZINC000925668479 625489081 /nfs/dbraw/zinc/48/90/81/625489081.db2.gz HXCFZYXVVNXVPR-CQQZSXHASA-N 2 2 258.369 0.853 20 0 CCADLP CS(=O)(=O)C1(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CCCC1 ZINC000925670005 625490441 /nfs/dbraw/zinc/49/04/41/625490441.db2.gz FIAMBDBGBSVDGU-YHQUGGNUSA-N 2 2 298.452 0.930 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+]Cc2ccns2)C1 ZINC001022775926 622743728 /nfs/dbraw/zinc/74/37/28/622743728.db2.gz 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C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000891507025 624880995 /nfs/dbraw/zinc/88/09/95/624880995.db2.gz OPXLFXIFZCIFIR-NWDGAFQWSA-N 2 2 284.404 0.228 20 0 CCADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000891507025 624880996 /nfs/dbraw/zinc/88/09/96/624880996.db2.gz OPXLFXIFZCIFIR-NWDGAFQWSA-N 2 2 284.404 0.228 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933964120 624999653 /nfs/dbraw/zinc/99/96/53/624999653.db2.gz KNOAZYLBPRFQGW-QWHCGFSZSA-N 2 2 251.330 0.452 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933964120 624999654 /nfs/dbraw/zinc/99/96/54/624999654.db2.gz KNOAZYLBPRFQGW-QWHCGFSZSA-N 2 2 251.330 0.452 20 0 CCADLP OC[C@H]1CC[N@@H+]1C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000934011041 625002224 /nfs/dbraw/zinc/00/22/24/625002224.db2.gz IOTURQUNMYPNNZ-HZPDHXFCSA-N 2 2 276.380 0.690 20 0 CCADLP OC[C@H]1CC[N@H+]1C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000934011041 625002226 /nfs/dbraw/zinc/00/22/26/625002226.db2.gz IOTURQUNMYPNNZ-HZPDHXFCSA-N 2 2 276.380 0.690 20 0 CCADLP OC[C@H]1CC[NH+]1C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000934011041 625002227 /nfs/dbraw/zinc/00/22/27/625002227.db2.gz IOTURQUNMYPNNZ-HZPDHXFCSA-N 2 2 276.380 0.690 20 0 CCADLP OC[C@H]1CC[NH+]1C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000934011041 625002229 /nfs/dbraw/zinc/00/22/29/625002229.db2.gz IOTURQUNMYPNNZ-HZPDHXFCSA-N 2 2 276.380 0.690 20 0 CCADLP C[N@H+](CCO)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000971928796 625017443 /nfs/dbraw/zinc/01/74/43/625017443.db2.gz QYVWQRMHNWCIQH-LBPRGKRZSA-N 2 2 288.351 0.473 20 0 CCADLP C[N@@H+](CCO)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000971928796 625017445 /nfs/dbraw/zinc/01/74/45/625017445.db2.gz QYVWQRMHNWCIQH-LBPRGKRZSA-N 2 2 288.351 0.473 20 0 CCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903442453 634566267 /nfs/dbraw/zinc/56/62/67/634566267.db2.gz RAQBONXYPVXDEW-TZMCWYRMSA-N 2 2 280.416 0.023 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CCOC2CC2)C1 ZINC000903448453 634570706 /nfs/dbraw/zinc/57/07/06/634570706.db2.gz FSOPKGUSSREGIU-LBPRGKRZSA-N 2 2 267.373 0.062 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CCOC2CC2)C1 ZINC000903448453 634570711 /nfs/dbraw/zinc/57/07/11/634570711.db2.gz FSOPKGUSSREGIU-LBPRGKRZSA-N 2 2 267.373 0.062 20 0 CCADLP Cc1nccc(N2CC[NH+](C[C@@H]3C[NH2+]C[C@H]3C)CC2)n1 ZINC000903456682 634572226 /nfs/dbraw/zinc/57/22/26/634572226.db2.gz IXHCFWCXZKHYFO-OCCSQVGLSA-N 2 2 275.400 0.763 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@H]1[NH3+] ZINC000903753054 634637865 /nfs/dbraw/zinc/63/78/65/634637865.db2.gz ZFYKHBKJIXGCCR-JHJVBQTASA-N 3 2 253.390 0.424 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@H]1[NH3+] ZINC000903753054 634637866 /nfs/dbraw/zinc/63/78/66/634637866.db2.gz ZFYKHBKJIXGCCR-JHJVBQTASA-N 3 2 253.390 0.424 20 0 CCADLP c1csc(C[C@@H]2CC[N@H+](C[C@H]3C[NH2+]CCO3)C2)n1 ZINC000903833465 634662831 /nfs/dbraw/zinc/66/28/31/634662831.db2.gz XBPRRDXRDNJRNY-NWDGAFQWSA-N 2 2 267.398 0.996 20 0 CCADLP c1csc(C[C@@H]2CC[N@@H+](C[C@H]3C[NH2+]CCO3)C2)n1 ZINC000903833465 634662835 /nfs/dbraw/zinc/66/28/35/634662835.db2.gz XBPRRDXRDNJRNY-NWDGAFQWSA-N 2 2 267.398 0.996 20 0 CCADLP [NH3+]C[C@@]12CC[C@@H]1CC[N@H+]2CCOC1CCOCC1 ZINC000903859707 634669841 /nfs/dbraw/zinc/66/98/41/634669841.db2.gz ONUVVPHDCZVQAY-OCCSQVGLSA-N 2 2 254.374 0.995 20 0 CCADLP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2[C@@H]1CCN(C2CCOCC2)C1=O ZINC000903856501 634668877 /nfs/dbraw/zinc/66/88/77/634668877.db2.gz RGPVAPZNJCOADP-JGGQBBKZSA-N 2 2 293.411 0.580 20 0 CCADLP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2[C@@H]1CCN(C2CCOCC2)C1=O ZINC000903856501 634668881 /nfs/dbraw/zinc/66/88/81/634668881.db2.gz RGPVAPZNJCOADP-JGGQBBKZSA-N 2 2 293.411 0.580 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CCOC[C@H]1CCCO1 ZINC000903856518 634668919 /nfs/dbraw/zinc/66/89/19/634668919.db2.gz RNOROKBGFXQJGR-MGPQQGTHSA-N 2 2 254.374 0.995 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CCOC[C@H]1CCCO1 ZINC000903856518 634668924 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Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCO[C@@H](CCF)C2)cnn1C ZINC000903934194 634691750 /nfs/dbraw/zinc/69/17/50/634691750.db2.gz DHOGRQJRUOHSOA-HIFRSBDPSA-N 2 2 298.406 0.906 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCO[C@@H](CCF)C2)cnn1C ZINC000903934194 634691752 /nfs/dbraw/zinc/69/17/52/634691752.db2.gz DHOGRQJRUOHSOA-HIFRSBDPSA-N 2 2 298.406 0.906 20 0 CCADLP [NH3+][C@H]1C[C@@H](C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000904388656 634737355 /nfs/dbraw/zinc/73/73/55/634737355.db2.gz MGCLDXFJMUVFOB-QCLAVDOMSA-N 3 2 251.296 0.935 20 0 CCADLP [NH3+][C@H]1C[C@@H](C[N@H+]2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000904388656 634737359 /nfs/dbraw/zinc/73/73/59/634737359.db2.gz MGCLDXFJMUVFOB-QCLAVDOMSA-N 3 2 251.296 0.935 20 0 CCADLP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1csnn1)CC2 ZINC000904392269 634738745 /nfs/dbraw/zinc/73/87/45/634738745.db2.gz OKFBWEVKAHFGTC-NSHDSACASA-N 2 2 268.386 0.868 20 0 CCADLP Cc1ccc2[nH+]cc(CN3CCC[C@]([NH3+])(CO)C3)n2c1 ZINC000904400788 634742898 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ZWBJDIWRQGYTRJ-UHFFFAOYSA-N 2 2 281.404 0.342 20 0 CCADLP Cc1ncc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1C ZINC000912388935 636568630 /nfs/dbraw/zinc/56/86/30/636568630.db2.gz ZWBJDIWRQGYTRJ-UHFFFAOYSA-N 2 2 281.404 0.342 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000912613858 636623929 /nfs/dbraw/zinc/62/39/29/636623929.db2.gz HLHBZODAKWNVHC-IJLUTSLNSA-N 2 2 280.372 0.443 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000227351527 637021075 /nfs/dbraw/zinc/02/10/75/637021075.db2.gz ONRNHMBCEZBHJN-QWRGUYRKSA-N 2 2 268.361 0.388 20 0 CCADLP O=C(N[C@H]1CC[N@@H+](CCCF)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001014996565 637287921 /nfs/dbraw/zinc/28/79/21/637287921.db2.gz POLABLPPMZNECI-STQMWFEESA-N 2 2 294.374 0.996 20 0 CCADLP O=C(N[C@H]1CC[N@H+](CCCF)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001014996565 637287932 /nfs/dbraw/zinc/28/79/32/637287932.db2.gz POLABLPPMZNECI-STQMWFEESA-N 2 2 294.374 0.996 20 0 CCADLP CCOC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000312501932 637374044 /nfs/dbraw/zinc/37/40/44/637374044.db2.gz GTZFKBHAPRPQEG-KGLIPLIRSA-N 2 2 284.400 0.718 20 0 CCADLP CCOC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000312501932 637374049 /nfs/dbraw/zinc/37/40/49/637374049.db2.gz GTZFKBHAPRPQEG-KGLIPLIRSA-N 2 2 284.400 0.718 20 0 CCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC13CC[NH+](CC1)C3)C2 ZINC000913634289 637391937 /nfs/dbraw/zinc/39/19/37/637391937.db2.gz JZJKARRELZBUHA-LLVKDONJSA-N 2 2 274.368 0.787 20 0 CCADLP O[C@H](C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)C[C@]1(O)CCOC1 ZINC000929803298 637569673 /nfs/dbraw/zinc/56/96/73/637569673.db2.gz GKSRDPHVZXSCGB-DZGCQCFKSA-N 2 2 295.383 0.492 20 0 CCADLP C[C@H]([C@H](C)NC(=O)NCC1([NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000917015981 637941002 /nfs/dbraw/zinc/94/10/02/637941002.db2.gz QGZZIXSNXGQDHG-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H](O)C1(O)CCOCC1 ZINC000930126162 638134195 /nfs/dbraw/zinc/13/41/95/638134195.db2.gz QIZBZYYZOZHWOQ-CYBMUJFWSA-N 2 2 283.372 0.107 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H](O)C1(O)CCOCC1 ZINC000930126162 638134200 /nfs/dbraw/zinc/13/42/00/638134200.db2.gz QIZBZYYZOZHWOQ-CYBMUJFWSA-N 2 2 283.372 0.107 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000068807443 638272261 /nfs/dbraw/zinc/27/22/61/638272261.db2.gz JJPCYNJSFGXHAM-ZIAGYGMSSA-N 2 2 276.384 0.048 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000068807443 638272271 /nfs/dbraw/zinc/27/22/71/638272271.db2.gz JJPCYNJSFGXHAM-ZIAGYGMSSA-N 2 2 276.384 0.048 20 0 CCADLP CC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000995108387 638499910 /nfs/dbraw/zinc/49/99/10/638499910.db2.gz UGKASSKVXUIVKJ-WDEREUQCSA-N 2 2 250.346 0.847 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC000941061398 638512617 /nfs/dbraw/zinc/51/26/17/638512617.db2.gz MMKPXNIDFQQWHH-DGCLKSJQSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC000941061398 638512624 /nfs/dbraw/zinc/51/26/24/638512624.db2.gz MMKPXNIDFQQWHH-DGCLKSJQSA-N 2 2 294.399 0.550 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([NH2+]CCF)CC1 ZINC000997039087 638849686 /nfs/dbraw/zinc/84/96/86/638849686.db2.gz ABTCGVPICWOWSO-UHFFFAOYSA-N 2 2 254.309 0.502 20 0 CCADLP CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC([NH2+]CCO)C1 ZINC000999006846 638953833 /nfs/dbraw/zinc/95/38/33/638953833.db2.gz GJQFOCYIJVSFJI-PNESKVBLSA-N 2 2 292.383 0.017 20 0 CCADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000999537852 638984741 /nfs/dbraw/zinc/98/47/41/638984741.db2.gz UYGXLECYDHNWET-CHWSQXEVSA-N 2 2 292.383 0.018 20 0 CCADLP CCC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001000315976 639072274 /nfs/dbraw/zinc/07/22/74/639072274.db2.gz DWQXUXRNZISEFG-LLVKDONJSA-N 2 2 250.346 0.943 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001000541637 639112266 /nfs/dbraw/zinc/11/22/66/639112266.db2.gz IJXRWKVCBUUKEI-OLZOCXBDSA-N 2 2 292.383 0.569 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001001050829 639217311 /nfs/dbraw/zinc/21/73/11/639217311.db2.gz BOUVYRVWEHXUCS-ZIAGYGMSSA-N 2 2 292.383 0.500 20 0 CCADLP CC(C)[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001001052874 639221991 /nfs/dbraw/zinc/22/19/91/639221991.db2.gz PJZNDABKBQAEET-LBPRGKRZSA-N 2 2 250.346 0.872 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]([NH2+]CC2CC2)C1 ZINC001001057215 639223080 /nfs/dbraw/zinc/22/30/80/639223080.db2.gz VHEVNWDJWOQJPJ-CYBMUJFWSA-N 2 2 262.357 0.874 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cnn(CC3CCC3)c2)C1 ZINC000921998442 639457528 /nfs/dbraw/zinc/45/75/28/639457528.db2.gz JTVFBDAJNNKCOV-HNNXBMFYSA-N 2 2 278.400 0.839 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cnn(CC3CCC3)c2)C1 ZINC000921998442 639457532 /nfs/dbraw/zinc/45/75/32/639457532.db2.gz JTVFBDAJNNKCOV-HNNXBMFYSA-N 2 2 278.400 0.839 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001014991740 650511984 /nfs/dbraw/zinc/51/19/84/650511984.db2.gz TWVBBGBQPZKCJY-VXGBXAGGSA-N 2 2 262.357 0.656 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001014991740 650511990 /nfs/dbraw/zinc/51/19/90/650511990.db2.gz TWVBBGBQPZKCJY-VXGBXAGGSA-N 2 2 262.357 0.656 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](CCCF)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001014996562 650513555 /nfs/dbraw/zinc/51/35/55/650513555.db2.gz POLABLPPMZNECI-CHWSQXEVSA-N 2 2 294.374 0.996 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](CCCF)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001014996562 650513557 /nfs/dbraw/zinc/51/35/57/650513557.db2.gz POLABLPPMZNECI-CHWSQXEVSA-N 2 2 294.374 0.996 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC1CC[NH+](C[C@H](C)O)CC1 ZINC001004053888 639670373 /nfs/dbraw/zinc/67/03/73/639670373.db2.gz SLVOPECJCKIULN-JTQLQIEISA-N 2 2 280.372 0.222 20 0 CCADLP C[C@@H]1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)[C@@H]1C[NH3+] ZINC000923288662 640072779 /nfs/dbraw/zinc/07/27/79/640072779.db2.gz MDGCXILQGQRATQ-JHJVBQTASA-N 3 2 253.390 0.424 20 0 CCADLP C[C@@H]1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)[C@@H]1C[NH3+] ZINC000923288662 640072783 /nfs/dbraw/zinc/07/27/83/640072783.db2.gz MDGCXILQGQRATQ-JHJVBQTASA-N 3 2 253.390 0.424 20 0 CCADLP C[C@H](O)C[NH+]1CCC(N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001006061131 640098204 /nfs/dbraw/zinc/09/82/04/640098204.db2.gz QCSALOJWWDCSEW-NSHDSACASA-N 2 2 280.372 0.256 20 0 CCADLP COC[C@H](C)[NH+]1CCC(N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001006064014 640106387 /nfs/dbraw/zinc/10/63/87/640106387.db2.gz JFXGAMOOZRDVBQ-LBPRGKRZSA-N 2 2 294.399 0.910 20 0 CCADLP NC(=O)c1c[nH]nc1[C@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000923424444 640131665 /nfs/dbraw/zinc/13/16/65/640131665.db2.gz GAUYCXBLZLPIEJ-NSHDSACASA-N 2 2 291.399 0.830 20 0 CCADLP NC(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923424444 640131673 /nfs/dbraw/zinc/13/16/73/640131673.db2.gz GAUYCXBLZLPIEJ-NSHDSACASA-N 2 2 291.399 0.830 20 0 CCADLP O=S(=O)(NCc1cn2c([nH+]1)CCCC2)[C@H]1CCC[NH2+]C1 ZINC000923602464 640219561 /nfs/dbraw/zinc/21/95/61/640219561.db2.gz CCHJGIMNMOEROK-LBPRGKRZSA-N 2 2 298.412 0.391 20 0 CCADLP O=C1CC[C@H]([NH+]2CCC(Nc3cccc[nH+]3)CC2)C(=O)N1 ZINC000799149719 640549357 /nfs/dbraw/zinc/54/93/57/640549357.db2.gz YWHODOHJIXRYMC-LBPRGKRZSA-N 2 2 288.351 0.763 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC2(CNC(=O)O2)CC1)C1CC1 ZINC000809984936 640918574 /nfs/dbraw/zinc/91/85/74/640918574.db2.gz CCQPVMPSUMZXPT-GFCCVEGCSA-N 2 2 283.372 0.016 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC2(CNC(=O)O2)CC1)C1CC1 ZINC000809984936 640918575 /nfs/dbraw/zinc/91/85/75/640918575.db2.gz CCQPVMPSUMZXPT-GFCCVEGCSA-N 2 2 283.372 0.016 20 0 CCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[N@H+](C)[C@@H](C)C1)C2 ZINC000810441977 640934424 /nfs/dbraw/zinc/93/44/24/640934424.db2.gz CZMCDUNCECSJRR-AAEUAGOBSA-N 2 2 276.384 0.916 20 0 CCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC000810441977 640934428 /nfs/dbraw/zinc/93/44/28/640934428.db2.gz CZMCDUNCECSJRR-AAEUAGOBSA-N 2 2 276.384 0.916 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCc1cnn(C)n1 ZINC000815639567 641118280 /nfs/dbraw/zinc/11/82/80/641118280.db2.gz BHVHBGMSHKTYMX-BXUZGUMPSA-N 2 2 263.389 0.820 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCc1cnn(C)n1 ZINC000815639567 641118286 /nfs/dbraw/zinc/11/82/86/641118286.db2.gz BHVHBGMSHKTYMX-BXUZGUMPSA-N 2 2 263.389 0.820 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000816932045 641231525 /nfs/dbraw/zinc/23/15/25/641231525.db2.gz FELVZBZBQVIHOP-GFCCVEGCSA-N 2 2 262.357 0.897 20 0 CCADLP C[C@H](C[NH2+]CCS(C)(=O)=O)C[NH+]1CCCCC1 ZINC000818968988 641370138 /nfs/dbraw/zinc/37/01/38/641370138.db2.gz IGUVGIVBBWEMOA-GFCCVEGCSA-N 2 2 262.419 0.743 20 0 CCADLP O=C(NCCNc1cccc[nH+]1)c1[nH]nc2c1C[NH2+]CC2 ZINC000826548705 641942253 /nfs/dbraw/zinc/94/22/53/641942253.db2.gz OCYVXLDQVZDRTN-UHFFFAOYSA-N 2 2 286.339 0.292 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC23CC[NH+](CCF)CC3)C1 ZINC001016553429 650744098 /nfs/dbraw/zinc/74/40/98/650744098.db2.gz RBQATWBLRKKYAM-CHWSQXEVSA-N 2 2 299.390 0.257 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC23CC[NH+](CCF)CC3)C1 ZINC001016553429 650744099 /nfs/dbraw/zinc/74/40/99/650744099.db2.gz RBQATWBLRKKYAM-CHWSQXEVSA-N 2 2 299.390 0.257 20 0 CCADLP COCC[NH+]1CCC2(C[C@H]2NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001016852181 650765825 /nfs/dbraw/zinc/76/58/25/650765825.db2.gz UEJSDDWOWYRGDE-CYBMUJFWSA-N 2 2 292.383 0.569 20 0 CCADLP Cc1ccc(NC(=O)NC[C@H]2C[NH2+]CCO2)c(N(C)C)[nH+]1 ZINC000841154411 642805526 /nfs/dbraw/zinc/80/55/26/642805526.db2.gz HOYWTYSBNDPMKY-LLVKDONJSA-N 2 2 293.371 0.566 20 0 CCADLP C[C@H]1CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C[C@H]1C[NH3+] ZINC000842510252 642902720 /nfs/dbraw/zinc/90/27/20/642902720.db2.gz PMZOFTKNYXSCNZ-VHSXEESVSA-N 2 2 277.372 0.112 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NCc2ccccn2)C[C@@H]1C[NH3+] ZINC000844227135 643186560 /nfs/dbraw/zinc/18/65/60/643186560.db2.gz TZDKKLZGDQPRAJ-STQMWFEESA-N 2 2 276.384 0.615 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)NCc2ccccn2)C[C@@H]1C[NH3+] ZINC000844227135 643186562 /nfs/dbraw/zinc/18/65/62/643186562.db2.gz TZDKKLZGDQPRAJ-STQMWFEESA-N 2 2 276.384 0.615 20 0 CCADLP C[C@H](CNC(=O)[C@@H](C)[NH2+]C1CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848431407 643636991 /nfs/dbraw/zinc/63/69/91/643636991.db2.gz JQANOSOSUKBVTN-FVCCEPFGSA-N 2 2 283.416 0.741 20 0 CCADLP C[C@H](CNC(=O)[C@@H](C)[NH2+]C1CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848431407 643636993 /nfs/dbraw/zinc/63/69/93/643636993.db2.gz JQANOSOSUKBVTN-FVCCEPFGSA-N 2 2 283.416 0.741 20 0 CCADLP OCCOCC[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1CCC1 ZINC000852292002 643951206 /nfs/dbraw/zinc/95/12/06/643951206.db2.gz KFHDIJRFUBFLMN-HNNXBMFYSA-N 2 2 286.416 0.307 20 0 CCADLP OCCOCC[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1CCC1 ZINC000852292002 643951211 /nfs/dbraw/zinc/95/12/11/643951211.db2.gz KFHDIJRFUBFLMN-HNNXBMFYSA-N 2 2 286.416 0.307 20 0 CCADLP C[C@H](CNC(=O)C=C1CC[NH2+]CC1)Cn1cc[nH+]c1 ZINC000852860546 644029174 /nfs/dbraw/zinc/02/91/74/644029174.db2.gz GNVOQNWLTSOWSB-GFCCVEGCSA-N 2 2 262.357 0.945 20 0 CCADLP C[C@H](CCNC(=O)NCC[N@@H+]1CCO[C@H](C)C1)[NH+](C)C ZINC000853605575 644128515 /nfs/dbraw/zinc/12/85/15/644128515.db2.gz MUWRWPXTHGUWCH-CHWSQXEVSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@H](CCNC(=O)NCC[N@H+]1CCO[C@H](C)C1)[NH+](C)C ZINC000853605575 644128520 /nfs/dbraw/zinc/12/85/20/644128520.db2.gz MUWRWPXTHGUWCH-CHWSQXEVSA-N 2 2 286.420 0.347 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001018784041 650906536 /nfs/dbraw/zinc/90/65/36/650906536.db2.gz AJTYWXIWVSEUPG-STQMWFEESA-N 2 2 292.383 0.569 20 0 CCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(C=O)[nH]1 ZINC000855345470 644307458 /nfs/dbraw/zinc/30/74/58/644307458.db2.gz BCLGKDMUORZWDD-LBPRGKRZSA-N 2 2 294.399 0.829 20 0 CCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(C=O)[nH]1 ZINC000855345470 644307463 /nfs/dbraw/zinc/30/74/63/644307463.db2.gz BCLGKDMUORZWDD-LBPRGKRZSA-N 2 2 294.399 0.829 20 0 CCADLP Cc1cc(OCC(=O)NCC[N@@H+](C)CCC[NH+](C)C)no1 ZINC000855416082 644316949 /nfs/dbraw/zinc/31/69/49/644316949.db2.gz DWFKCALMHLFYPT-UHFFFAOYSA-N 2 2 298.387 0.362 20 0 CCADLP Cc1cc(OCC(=O)NCC[N@H+](C)CCC[NH+](C)C)no1 ZINC000855416082 644316952 /nfs/dbraw/zinc/31/69/52/644316952.db2.gz DWFKCALMHLFYPT-UHFFFAOYSA-N 2 2 298.387 0.362 20 0 CCADLP CC(C)[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001019181446 650944393 /nfs/dbraw/zinc/94/43/93/650944393.db2.gz JDBRPOZXQMSKGC-LBPRGKRZSA-N 2 2 264.373 0.952 20 0 CCADLP Cc1c(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)ccnc1F ZINC000862326802 644994554 /nfs/dbraw/zinc/99/45/54/644994554.db2.gz UMEPIDYKYUJIEJ-ZDUSSCGKSA-N 2 2 253.321 0.685 20 0 CCADLP Cc1c(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)ccnc1F ZINC000862326802 644994560 /nfs/dbraw/zinc/99/45/60/644994560.db2.gz UMEPIDYKYUJIEJ-ZDUSSCGKSA-N 2 2 253.321 0.685 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001019493944 650978092 /nfs/dbraw/zinc/97/80/92/650978092.db2.gz SQJRPUYTDDYZJT-QWRGUYRKSA-N 2 2 250.346 0.799 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001019493944 650978095 /nfs/dbraw/zinc/97/80/95/650978095.db2.gz SQJRPUYTDDYZJT-QWRGUYRKSA-N 2 2 250.346 0.799 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]CC1(O)CCCCC1 ZINC000863571417 645109021 /nfs/dbraw/zinc/10/90/21/645109021.db2.gz YBEUPRJLNIYPBV-ZDUSSCGKSA-N 2 2 283.416 0.611 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]CC1(O)CCCCC1 ZINC000863571417 645109023 /nfs/dbraw/zinc/10/90/23/645109023.db2.gz YBEUPRJLNIYPBV-ZDUSSCGKSA-N 2 2 283.416 0.611 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)c1ccccc1 ZINC000863571111 645109225 /nfs/dbraw/zinc/10/92/25/645109225.db2.gz QMQCSJFIAFQLQC-GJZGRUSLSA-N 2 2 291.395 0.649 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)c1ccccc1 ZINC000863571111 645109234 /nfs/dbraw/zinc/10/92/34/645109234.db2.gz QMQCSJFIAFQLQC-GJZGRUSLSA-N 2 2 291.395 0.649 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]([NH2+]Cc2ccccn2)C1 ZINC001019655006 650996211 /nfs/dbraw/zinc/99/62/11/650996211.db2.gz 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ZINC000865142754 645329396 /nfs/dbraw/zinc/32/93/96/645329396.db2.gz LGEJPCBMYHYKAV-ITDFMYJTSA-N 2 2 281.400 0.474 20 0 CCADLP Cc1nocc1C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001019867781 651011024 /nfs/dbraw/zinc/01/10/24/651011024.db2.gz KBTTYXPAVBCQJH-ZDUSSCGKSA-N 2 2 289.339 0.570 20 0 CCADLP O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000865987745 645453531 /nfs/dbraw/zinc/45/35/31/645453531.db2.gz BQXNYZNBAUMVJH-OCCSQVGLSA-N 2 2 292.383 0.920 20 0 CCADLP CCCN(CC[NH+]1CCCC1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000868275631 645741600 /nfs/dbraw/zinc/74/16/00/645741600.db2.gz GWUXBSMSCRJVNL-ZDUSSCGKSA-N 2 2 280.372 0.778 20 0 CCADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000868335118 645752163 /nfs/dbraw/zinc/75/21/63/645752163.db2.gz DPOWMFWLOXLSDO-RAIGVLPGSA-N 2 2 278.356 0.528 20 0 CCADLP C[C@@H]([NH2+]Cc1ccnc(-n2cncn2)c1)[C@H]1CCC[NH2+]1 ZINC000873236856 646364611 /nfs/dbraw/zinc/36/46/11/646364611.db2.gz GUKMOUPPZFMMEP-DGCLKSJQSA-N 2 2 272.356 0.892 20 0 CCADLP [NH3+]C[C@H]1CCCCN1C(=O)NCCn1cc[nH+]c1 ZINC000874433982 646464438 /nfs/dbraw/zinc/46/44/38/646464438.db2.gz WWPFISFEIQDOFE-LLVKDONJSA-N 2 2 251.334 0.406 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000876305888 646595427 /nfs/dbraw/zinc/59/54/27/646595427.db2.gz XAEOEJWHZFGNJP-GFCCVEGCSA-N 2 2 295.387 0.066 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000876305888 646595430 /nfs/dbraw/zinc/59/54/30/646595430.db2.gz XAEOEJWHZFGNJP-GFCCVEGCSA-N 2 2 295.387 0.066 20 0 CCADLP O=C(N1CC[NH+]([C@@H]2CCOC2)CC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876966268 646709217 /nfs/dbraw/zinc/70/92/17/646709217.db2.gz OIFXNURVXPRQMC-FMKPAKJESA-N 2 2 293.411 0.452 20 0 CCADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000877006242 646715350 /nfs/dbraw/zinc/71/53/50/646715350.db2.gz YVMNYVFZZAVKGK-CHWPNHQFSA-N 2 2 279.384 0.276 20 0 CCADLP OC[C@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@H]1CO ZINC000877763747 646839794 /nfs/dbraw/zinc/83/97/94/646839794.db2.gz IOEJOOIPWIOSSV-BETUJISGSA-N 2 2 288.351 0.300 20 0 CCADLP OC[C@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@H]1CO ZINC000877763747 646839797 /nfs/dbraw/zinc/83/97/97/646839797.db2.gz IOEJOOIPWIOSSV-BETUJISGSA-N 2 2 288.351 0.300 20 0 CCADLP Cn1nnnc1CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000878173460 646877221 /nfs/dbraw/zinc/87/72/21/646877221.db2.gz XHMVGCWOUWDOFV-UHFFFAOYSA-N 2 2 261.333 0.286 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000879993661 647140524 /nfs/dbraw/zinc/14/05/24/647140524.db2.gz ZOAUCDYIQXESBQ-YPMHNXCESA-N 2 2 280.372 0.161 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000879993661 647140528 /nfs/dbraw/zinc/14/05/28/647140528.db2.gz ZOAUCDYIQXESBQ-YPMHNXCESA-N 2 2 280.372 0.161 20 0 CCADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](C[C@H]2CCOC2)CC1 ZINC000880249673 647175084 /nfs/dbraw/zinc/17/50/84/647175084.db2.gz DYYDROFJCKPRIF-CQSZACIVSA-N 2 2 295.427 0.829 20 0 CCADLP C[C@H]1C[N@H+](Cc2cnnn2C)CCN1c1cc[nH+]cc1 ZINC000880258829 647176438 /nfs/dbraw/zinc/17/64/38/647176438.db2.gz CVZWHKYDJXUKMC-LBPRGKRZSA-N 2 2 272.356 0.921 20 0 CCADLP C[C@H]1C[N@@H+](Cc2cnnn2C)CCN1c1cc[nH+]cc1 ZINC000880258829 647176440 /nfs/dbraw/zinc/17/64/40/647176440.db2.gz CVZWHKYDJXUKMC-LBPRGKRZSA-N 2 2 272.356 0.921 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)N2CCC2)CCN1c1cc[nH+]cc1 ZINC000880262363 647176974 /nfs/dbraw/zinc/17/69/74/647176974.db2.gz XROOLXXFKAMOKA-ZDUSSCGKSA-N 2 2 274.368 0.824 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)N2CCC2)CCN1c1cc[nH+]cc1 ZINC000880262363 647176980 /nfs/dbraw/zinc/17/69/80/647176980.db2.gz XROOLXXFKAMOKA-ZDUSSCGKSA-N 2 2 274.368 0.824 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261529 647177365 /nfs/dbraw/zinc/17/73/65/647177365.db2.gz LQYVKLSKRYMERQ-WDEREUQCSA-N 2 2 291.355 0.176 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261529 647177368 /nfs/dbraw/zinc/17/73/68/647177368.db2.gz LQYVKLSKRYMERQ-WDEREUQCSA-N 2 2 291.355 0.176 20 0 CCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ncc(C=O)cn1 ZINC000882581288 647421557 /nfs/dbraw/zinc/42/15/57/647421557.db2.gz RVLLWZFWNFLJEL-LBPRGKRZSA-N 2 2 279.388 0.973 20 0 CCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ncc(C=O)cn1 ZINC000882581288 647421563 /nfs/dbraw/zinc/42/15/63/647421563.db2.gz RVLLWZFWNFLJEL-LBPRGKRZSA-N 2 2 279.388 0.973 20 0 CCADLP C[C@H](NC(=O)[C@@H]1C[NH2+]CC1(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000884212588 647669875 /nfs/dbraw/zinc/66/98/75/647669875.db2.gz JCFOOPDXDTXLDX-AVGNSLFASA-N 2 2 283.416 0.457 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@H]2C[C@H]([NH3+])C2)c[nH+]1 ZINC000884469276 647745519 /nfs/dbraw/zinc/74/55/19/647745519.db2.gz BKOLOXJPRQXADE-XYPYZODXSA-N 2 2 250.346 0.780 20 0 CCADLP C[C@@H](C[NH2+][C@H]1CCC[NH2+][C@H]1C)N1CC[NH+](C)CC1 ZINC000925490049 648438643 /nfs/dbraw/zinc/43/86/43/648438643.db2.gz AHWQPTNBAIIBKV-IHRRRGAJSA-N 3 2 254.422 0.352 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925494536 648438892 /nfs/dbraw/zinc/43/88/92/648438892.db2.gz KLPQWTXMWBYGNR-HZSPNIEDSA-N 3 2 294.443 0.433 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000925494536 648438896 /nfs/dbraw/zinc/43/88/96/648438896.db2.gz KLPQWTXMWBYGNR-HZSPNIEDSA-N 3 2 294.443 0.433 20 0 CCADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cnnn1C ZINC000925554449 648442779 /nfs/dbraw/zinc/44/27/79/648442779.db2.gz AMLXGOUEZVKVGR-CORIIIEPSA-N 2 2 293.415 0.844 20 0 CCADLP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C12CCC2 ZINC000925612929 648446965 /nfs/dbraw/zinc/44/69/65/648446965.db2.gz OCJHOGXPUUGTCJ-MJBXVCDLSA-N 3 2 267.417 0.693 20 0 CCADLP Cn1cc([C@@H]2OCC[C@H]2[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cn1 ZINC000925704762 648454653 /nfs/dbraw/zinc/45/46/53/648454653.db2.gz JWTHMAIHVXKGSB-VEKPVXPTSA-N 2 2 288.395 0.836 20 0 CCADLP O=C1OC[C@]2(C[NH2+][C@H]3CC[NH2+]C34CCC4)COCCN12 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CCADLP CC[C@H]1COC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000926749276 648524513 /nfs/dbraw/zinc/52/45/13/648524513.db2.gz LCRQRTFZJJIFOU-AVGNSLFASA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]1COC[C@H]1[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000926865436 648531543 /nfs/dbraw/zinc/53/15/43/648531543.db2.gz JTCZZZLTPWLXBA-BZUAXINKSA-N 2 2 297.443 0.408 20 0 CCADLP O=C1NCCN1CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926872682 648532377 /nfs/dbraw/zinc/53/23/77/648532377.db2.gz JBBKMEWBHOVTQP-STQMWFEESA-N 2 2 266.389 0.618 20 0 CCADLP O=C1NCCN1CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926872682 648532379 /nfs/dbraw/zinc/53/23/79/648532379.db2.gz JBBKMEWBHOVTQP-STQMWFEESA-N 2 2 266.389 0.618 20 0 CCADLP O=C(C[NH+]1CCCC1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928102946 648616042 /nfs/dbraw/zinc/61/60/42/648616042.db2.gz KDBRKWQRYIKFLJ-QWHCGFSZSA-N 2 2 283.441 0.778 20 0 CCADLP O=C(C[NH+]1CCCC1)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928102946 648616050 /nfs/dbraw/zinc/61/60/50/648616050.db2.gz 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ZINC000947928509 649356136 /nfs/dbraw/zinc/35/61/36/649356136.db2.gz BNGUEABWVBAWBV-RYUDHWBXSA-N 2 2 282.363 0.901 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1CCF ZINC000947928509 649356137 /nfs/dbraw/zinc/35/61/37/649356137.db2.gz BNGUEABWVBAWBV-RYUDHWBXSA-N 2 2 282.363 0.901 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)CCO1 ZINC000248003983 649724638 /nfs/dbraw/zinc/72/46/38/649724638.db2.gz KQHLHOMMWBJDSM-QLFBSQMISA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)CCO1 ZINC000248003983 649724642 /nfs/dbraw/zinc/72/46/42/649724642.db2.gz KQHLHOMMWBJDSM-QLFBSQMISA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CCO1 ZINC000248003983 649724646 /nfs/dbraw/zinc/72/46/46/649724646.db2.gz KQHLHOMMWBJDSM-QLFBSQMISA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CCO1 ZINC000248003983 649724650 /nfs/dbraw/zinc/72/46/50/649724650.db2.gz KQHLHOMMWBJDSM-QLFBSQMISA-N 2 2 295.427 0.650 20 0 CCADLP CCc1cc(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)nc(C)[nH+]1 ZINC000302075834 719410898 /nfs/dbraw/zinc/41/08/98/719410898.db2.gz HAUYQKGZQHBRPJ-QWHCGFSZSA-N 2 2 262.357 0.867 20 0 CCADLP CCc1cc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)nc(C)[nH+]1 ZINC000302075834 719410906 /nfs/dbraw/zinc/41/09/06/719410906.db2.gz HAUYQKGZQHBRPJ-QWHCGFSZSA-N 2 2 262.357 0.867 20 0 CCADLP C[C@@H](O)C[NH+]1CCC(NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001230166084 805584984 /nfs/dbraw/zinc/58/49/84/805584984.db2.gz DRWKQNTXWMTNPW-GFCCVEGCSA-N 2 2 294.399 0.314 20 0 CCADLP Cc1cn(C)nc1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000723498991 791207744 /nfs/dbraw/zinc/20/77/44/791207744.db2.gz APGDIFPXDGDMLR-UHFFFAOYSA-N 2 2 251.378 0.066 20 0 CCADLP CC(C)OCC[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209835683 790694543 /nfs/dbraw/zinc/69/45/43/790694543.db2.gz CUIQCPUUCBUSFS-ZDUSSCGKSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@@H](C)C[NH2+]CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001161300243 790845604 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ZINC001277571062 805858537 /nfs/dbraw/zinc/85/85/37/805858537.db2.gz IMOWTXNIUOMDEL-CYBMUJFWSA-N 2 2 284.400 0.982 20 0 CCADLP COC[C@H](C(=O)OC)[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001277571062 805858544 /nfs/dbraw/zinc/85/85/44/805858544.db2.gz IMOWTXNIUOMDEL-CYBMUJFWSA-N 2 2 284.400 0.982 20 0 CCADLP CN(C)C(=O)C[NH+]1CC2(C1)CCCN(c1c[nH+]cn1C)C2 ZINC001277765449 806024637 /nfs/dbraw/zinc/02/46/37/806024637.db2.gz IUXBXAQKMMPQMN-UHFFFAOYSA-N 2 2 291.399 0.411 20 0 CCADLP COCCOC[NH+]1CC2(C1)CCN(c1c[nH+]cn1C)CC2 ZINC001277769931 806026372 /nfs/dbraw/zinc/02/63/72/806026372.db2.gz ZGXCNBRUWZZXQM-UHFFFAOYSA-N 2 2 294.399 0.943 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)NCCC[NH+]1CCOCC1 ZINC000068997530 791165520 /nfs/dbraw/zinc/16/55/20/791165520.db2.gz BKFIBKXYNDICNO-UHFFFAOYSA-N 2 2 294.399 0.810 20 0 CCADLP Cc1cn(C)nc1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000723498991 791207738 /nfs/dbraw/zinc/20/77/38/791207738.db2.gz APGDIFPXDGDMLR-UHFFFAOYSA-N 2 2 251.378 0.066 20 0 CCADLP CCOCC[N@@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001266769817 791224789 /nfs/dbraw/zinc/22/47/89/791224789.db2.gz IUBVJVCWQFALCV-AWEZNQCLSA-N 2 2 294.399 0.748 20 0 CCADLP CCOCC[N@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001266769817 791224792 /nfs/dbraw/zinc/22/47/92/791224792.db2.gz IUBVJVCWQFALCV-AWEZNQCLSA-N 2 2 294.399 0.748 20 0 CCADLP C[C@@H](NC(=O)N1CCCC[C@H]1C[NH3+])[C@@H](C)[NH+]1CCOCC1 ZINC000891517869 791264781 /nfs/dbraw/zinc/26/47/81/791264781.db2.gz MOBYDGAXXIQJEC-MCIONIFRSA-N 2 2 298.431 0.618 20 0 CCADLP [NH3+]C[C@H]1CCCCN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000891820033 791332959 /nfs/dbraw/zinc/33/29/59/791332959.db2.gz VFSXUPLCJJNJOD-NWDGAFQWSA-N 2 2 277.372 0.721 20 0 CCADLP CN(CC[NH2+]C[C@H]1CC(C)(C)CO1)C(=O)Cc1[nH]cc[nH+]1 ZINC001266911742 791340940 /nfs/dbraw/zinc/34/09/40/791340940.db2.gz SEBHRWZBIMEJAE-GFCCVEGCSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[NH2+][C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001266974581 791410943 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O[C@]1(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)CCC[NH2+]C1 ZINC001246023978 807122523 /nfs/dbraw/zinc/12/25/23/807122523.db2.gz NRTHSWBOCUDFCY-HUUCEWRRSA-N 3 2 267.417 0.567 20 0 CCADLP CC(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001277832869 806187395 /nfs/dbraw/zinc/18/73/95/806187395.db2.gz XCHKCENWHJRZFK-CABCVRRESA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001277832869 806187399 /nfs/dbraw/zinc/18/73/99/806187399.db2.gz XCHKCENWHJRZFK-CABCVRRESA-N 2 2 297.443 0.944 20 0 CCADLP c1cc2cc(C[N@@H+]3CCN[C@]4(CC[NH2+]C4)C3)cnc2[nH]1 ZINC001235052077 806352400 /nfs/dbraw/zinc/35/24/00/806352400.db2.gz DKQKWTODHBMDFU-HNNXBMFYSA-N 2 2 271.368 0.700 20 0 CCADLP c1cc2cc(C[N@H+]3CCN[C@]4(CC[NH2+]C4)C3)cnc2[nH]1 ZINC001235052077 806352409 /nfs/dbraw/zinc/35/24/09/806352409.db2.gz DKQKWTODHBMDFU-HNNXBMFYSA-N 2 2 271.368 0.700 20 0 CCADLP Cn1cnc2cc(C[N@@H+]3CCN[C@@]4(CC[NH2+]C4)C3)ccc21 ZINC001235052100 806354227 /nfs/dbraw/zinc/35/42/27/806354227.db2.gz DPJXOCOXJBQBLR-MRXNPFEDSA-N 2 2 285.395 0.711 20 0 CCADLP Cn1cnc2cc(C[N@H+]3CCN[C@@]4(CC[NH2+]C4)C3)ccc21 ZINC001235052100 806354235 /nfs/dbraw/zinc/35/42/35/806354235.db2.gz DPJXOCOXJBQBLR-MRXNPFEDSA-N 2 2 285.395 0.711 20 0 CCADLP c1cc(C[N@@H+]2C[C@@H]3C[NH2+]CC[C@H]32)cc(N2CC[NH2+]CC2)c1 ZINC001235262367 806396161 /nfs/dbraw/zinc/39/61/61/806396161.db2.gz QRRCYXSXXQOPAM-DOTOQJQBSA-N 3 2 286.423 0.890 20 0 CCADLP c1cc(C[N@H+]2C[C@@H]3C[NH2+]CC[C@H]32)cc(N2CC[NH2+]CC2)c1 ZINC001235262367 806396168 /nfs/dbraw/zinc/39/61/68/806396168.db2.gz QRRCYXSXXQOPAM-DOTOQJQBSA-N 3 2 286.423 0.890 20 0 CCADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+](CCO)C2)C1 ZINC001235487733 806432524 /nfs/dbraw/zinc/43/25/24/806432524.db2.gz YKLCJEDDMHGENV-AWEZNQCLSA-N 2 2 272.389 0.040 20 0 CCADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+](CCO)C2)C1 ZINC001235487733 806432526 /nfs/dbraw/zinc/43/25/26/806432526.db2.gz YKLCJEDDMHGENV-AWEZNQCLSA-N 2 2 272.389 0.040 20 0 CCADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+](CCO)C2)C1 ZINC001235487733 806432529 /nfs/dbraw/zinc/43/25/29/806432529.db2.gz YKLCJEDDMHGENV-AWEZNQCLSA-N 2 2 272.389 0.040 20 0 CCADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+](CCO)C2)C1 ZINC001235487733 806432533 /nfs/dbraw/zinc/43/25/33/806432533.db2.gz YKLCJEDDMHGENV-AWEZNQCLSA-N 2 2 272.389 0.040 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC[C@]3(CCCC(=O)N3)C2)O1 ZINC001235575110 806461769 /nfs/dbraw/zinc/46/17/69/806461769.db2.gz HQXCOJWTSGZLOM-SWLSCSKDSA-N 2 2 281.400 0.846 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC[C@]3(CCCC(=O)N3)C2)O1 ZINC001235575110 806461773 /nfs/dbraw/zinc/46/17/73/806461773.db2.gz HQXCOJWTSGZLOM-SWLSCSKDSA-N 2 2 281.400 0.846 20 0 CCADLP CN(C)C(=O)C1CC[NH+](C2CC[NH+](CCO)CC2)CC1 ZINC001235609393 806470518 /nfs/dbraw/zinc/47/05/18/806470518.db2.gz KSZTXALNXFIOAW-UHFFFAOYSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+]1C[C@@H]2COC[C@]2(COc2ccccn2)C1 ZINC001235614957 806473460 /nfs/dbraw/zinc/47/34/60/806473460.db2.gz JOHHSAWGDBVFIM-NFAWXSAZSA-N 2 2 277.368 0.756 20 0 CCADLP C[C@@H]([NH3+])C[N@H+]1C[C@@H]2COC[C@]2(COc2ccccn2)C1 ZINC001235614957 806473464 /nfs/dbraw/zinc/47/34/64/806473464.db2.gz JOHHSAWGDBVFIM-NFAWXSAZSA-N 2 2 277.368 0.756 20 0 CCADLP [NH3+]CC[NH+]1C[C@@H]2CN(C(=O)c3cccnc3)C[C@H]2C1 ZINC001235617375 806474952 /nfs/dbraw/zinc/47/49/52/806474952.db2.gz GMZFSPASFKTCGX-CHWSQXEVSA-N 2 2 260.341 0.044 20 0 CCADLP CCC(=O)NC1CC[NH+](C[C@@H]2C[NH2+]C(C)(C)O2)CC1 ZINC001235704839 806496151 /nfs/dbraw/zinc/49/61/51/806496151.db2.gz CIWSEKVWHGLBPI-LBPRGKRZSA-N 2 2 269.389 0.702 20 0 CCADLP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1CN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC001235911179 806515660 /nfs/dbraw/zinc/51/56/60/806515660.db2.gz OPMMDOPYNDSEMJ-LNFKQOIKSA-N 2 2 265.323 0.848 20 0 CCADLP c1c(C[NH+]2CC(N3CC[NH2+]CC3)C2)sc2c1CC[NH2+]C2 ZINC001236158835 806545060 /nfs/dbraw/zinc/54/50/60/806545060.db2.gz FYCHYKCAVFDKQC-UHFFFAOYSA-N 3 2 292.452 0.483 20 0 CCADLP C[C@H](CO)C[N@H+]1C[C@H]2CC[C@@H](C1)N2CCn1cc[nH+]c1 ZINC001277998123 806602636 /nfs/dbraw/zinc/60/26/36/806602636.db2.gz AIZAPFXOQHQWNO-SOUVJXGZSA-N 2 2 278.400 0.660 20 0 CCADLP C[C@H](CO)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2CCn1cc[nH+]c1 ZINC001277998123 806602641 /nfs/dbraw/zinc/60/26/41/806602641.db2.gz AIZAPFXOQHQWNO-SOUVJXGZSA-N 2 2 278.400 0.660 20 0 CCADLP CC[C@@H](C)CONC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001120623104 798891071 /nfs/dbraw/zinc/89/10/71/798891071.db2.gz GSRWZMOSIDVAQK-LLVKDONJSA-N 2 2 272.393 0.686 20 0 CCADLP [NH3+]C1(CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC001120663796 798908111 /nfs/dbraw/zinc/90/81/11/798908111.db2.gz BXAJPYGROQECPB-SNVBAGLBSA-N 2 2 263.345 0.790 20 0 CCADLP Cc1nc(N[C@@H](CO)CNC(=O)C[N@@H+](C)C(C)C)cc[nH+]1 ZINC001121670797 799063941 /nfs/dbraw/zinc/06/39/41/799063941.db2.gz UXTYKBROJVNJHV-GFCCVEGCSA-N 2 2 295.387 0.014 20 0 CCADLP Cc1nc(N[C@@H](CO)CNC(=O)C[N@H+](C)C(C)C)cc[nH+]1 ZINC001121670797 799063942 /nfs/dbraw/zinc/06/39/42/799063942.db2.gz UXTYKBROJVNJHV-GFCCVEGCSA-N 2 2 295.387 0.014 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1[NH2+]CC12CCCC2 ZINC001121829103 799074343 /nfs/dbraw/zinc/07/43/43/799074343.db2.gz JSURFSZRKNZKLH-NEPJUHHUSA-N 2 2 262.357 0.920 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C1CC([NH2+]C)C1 ZINC001122202356 799168081 /nfs/dbraw/zinc/16/80/81/799168081.db2.gz BEANKVGPKURPDV-WXRRBKDZSA-N 2 2 269.389 0.211 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C1CC([NH2+]C)C1 ZINC001122202356 799168083 /nfs/dbraw/zinc/16/80/83/799168083.db2.gz BEANKVGPKURPDV-WXRRBKDZSA-N 2 2 269.389 0.211 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)CCCC[NH2+]C ZINC001122255037 799179928 /nfs/dbraw/zinc/17/99/28/799179928.db2.gz SOBGIPRYESTWFK-ZDUSSCGKSA-N 2 2 271.405 0.603 20 0 CCADLP CC1(C)C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001122362515 799212823 /nfs/dbraw/zinc/21/28/23/799212823.db2.gz CPYOSVYRGFSAFJ-MNOVXSKESA-N 2 2 262.357 0.560 20 0 CCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@@H]1CCc2c[nH+]cn2C1 ZINC001122385565 799220124 /nfs/dbraw/zinc/22/01/24/799220124.db2.gz WLFGKONYCRRVIU-VCDKRKBESA-N 2 2 260.341 0.455 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CC[N@H+](C)CC1(C)C ZINC001123678001 799453624 /nfs/dbraw/zinc/45/36/24/799453624.db2.gz LOUUXDUDTKHXMJ-UHFFFAOYSA-N 2 2 264.373 0.905 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CC[N@@H+](C)CC1(C)C ZINC001123678001 799453627 /nfs/dbraw/zinc/45/36/27/799453627.db2.gz LOUUXDUDTKHXMJ-UHFFFAOYSA-N 2 2 264.373 0.905 20 0 CCADLP CC[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H](C)[NH2+]1 ZINC001123839165 799484512 /nfs/dbraw/zinc/48/45/12/799484512.db2.gz ZTUQAMXIGUPJJN-NWDGAFQWSA-N 2 2 264.373 0.952 20 0 CCADLP C[NH+]1CCN(C2CC[NH+](Cc3cnc(N)nc3)CC2)CC1 ZINC001138165474 799706245 /nfs/dbraw/zinc/70/62/45/799706245.db2.gz QGOOCCXYSXCEQB-UHFFFAOYSA-N 2 2 290.415 0.271 20 0 CCADLP C[NH+]1CCN(C2CC[NH+](Cc3ncccc3O)CC2)CC1 ZINC001138392657 799725450 /nfs/dbraw/zinc/72/54/50/799725450.db2.gz CLWSPRHKZZHJOU-UHFFFAOYSA-N 2 2 290.411 0.999 20 0 CCADLP CC[N@H+]1C[C@@H]2C[NH+](CC3C(=O)N=CNC3=O)C[C@@H]2C1 ZINC001140475177 799916776 /nfs/dbraw/zinc/91/67/76/799916776.db2.gz WNFDTAJLKYPACA-AOOOYVTPSA-N 2 2 264.329 0.271 20 0 CCADLP CC[N@@H+]1C[C@@H]2C[NH+](CC3C(=O)N=CNC3=O)C[C@@H]2C1 ZINC001140475177 799916782 /nfs/dbraw/zinc/91/67/82/799916782.db2.gz WNFDTAJLKYPACA-AOOOYVTPSA-N 2 2 264.329 0.271 20 0 CCADLP CC[NH+]1C[C@@H]2C[N@@H+](CC3C(=O)N=CNC3=O)C[C@@H]2C1 ZINC001140475177 799916786 /nfs/dbraw/zinc/91/67/86/799916786.db2.gz WNFDTAJLKYPACA-AOOOYVTPSA-N 2 2 264.329 0.271 20 0 CCADLP CC[NH+]1C[C@@H]2C[N@H+](CC3C(=O)N=CNC3=O)C[C@@H]2C1 ZINC001140475177 799916790 /nfs/dbraw/zinc/91/67/90/799916790.db2.gz WNFDTAJLKYPACA-AOOOYVTPSA-N 2 2 264.329 0.271 20 0 CCADLP C[C@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C(=O)OC(C)(C)C ZINC001246159687 807172706 /nfs/dbraw/zinc/17/27/06/807172706.db2.gz ZFSLWWXBYNEQOE-QWRGUYRKSA-N 2 2 269.389 0.400 20 0 CCADLP C[NH+]1CCN(c2ccccc2C[NH+]2CC(O)C2)CC1 ZINC001140968344 799966816 /nfs/dbraw/zinc/96/68/16/799966816.db2.gz JUMNTZKOKLWRBM-UHFFFAOYSA-N 2 2 261.369 0.615 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCO ZINC001141311210 799999581 /nfs/dbraw/zinc/99/95/81/799999581.db2.gz BBPOBNJRPWLXCP-QWHCGFSZSA-N 2 2 269.389 0.044 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCO ZINC001141311210 799999586 /nfs/dbraw/zinc/99/95/86/799999586.db2.gz BBPOBNJRPWLXCP-QWHCGFSZSA-N 2 2 269.389 0.044 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC001141311210 799999590 /nfs/dbraw/zinc/99/95/90/799999590.db2.gz BBPOBNJRPWLXCP-QWHCGFSZSA-N 2 2 269.389 0.044 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC001141311210 799999592 /nfs/dbraw/zinc/99/95/92/799999592.db2.gz BBPOBNJRPWLXCP-QWHCGFSZSA-N 2 2 269.389 0.044 20 0 CCADLP [NH3+]CCS(=O)(=O)NCc1c[nH+]cn1CC1CCC1 ZINC001238819060 806809494 /nfs/dbraw/zinc/80/94/94/806809494.db2.gz SELTXFROOWSMSP-UHFFFAOYSA-N 2 2 272.374 0.061 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]Cc1ccccn1 ZINC001149552988 800275764 /nfs/dbraw/zinc/27/57/64/800275764.db2.gz FGLVOCOXMWLIGL-UHFFFAOYSA-N 2 2 287.367 0.654 20 0 CCADLP Cc1oncc1C[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149564844 800276766 /nfs/dbraw/zinc/27/67/66/800276766.db2.gz LXTIREHAIKHQAC-UHFFFAOYSA-N 2 2 291.355 0.555 20 0 CCADLP CCCC[N@@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150825000 800371338 /nfs/dbraw/zinc/37/13/38/800371338.db2.gz PQHYMROVBGJKHY-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP CCCC[N@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150825000 800371343 /nfs/dbraw/zinc/37/13/43/800371343.db2.gz PQHYMROVBGJKHY-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)C[NH+]2CCCC2)s1 ZINC001151096793 800398042 /nfs/dbraw/zinc/39/80/42/800398042.db2.gz GROMKGMRTQNJBW-UHFFFAOYSA-N 2 2 297.428 0.402 20 0 CCADLP O=C(NCC[NH2+]CCC1CC1)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001151814732 800461443 /nfs/dbraw/zinc/46/14/43/800461443.db2.gz KGWKGGXHSUJKOC-OAHLLOKOSA-N 2 2 295.427 0.603 20 0 CCADLP CC[C@H](C)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001151814114 800461673 /nfs/dbraw/zinc/46/16/73/800461673.db2.gz DCHIKZPXMUFALM-DZGCQCFKSA-N 2 2 297.443 0.849 20 0 CCADLP C[NH+]1CC2(CN(C(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001151905885 800469986 /nfs/dbraw/zinc/46/99/86/800469986.db2.gz SGTRJTSLNCLONB-UHFFFAOYSA-N 2 2 256.309 0.722 20 0 CCADLP Cc1nonc1C[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152340746 800511678 /nfs/dbraw/zinc/51/16/78/800511678.db2.gz XGVWWFJLWFBMMF-UHFFFAOYSA-N 2 2 295.387 0.460 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]CCNC(=O)C[N@@H+](C)C(C)C)n1 ZINC001152445221 800522670 /nfs/dbraw/zinc/52/26/70/800522670.db2.gz DQPYBJVLHZEKCW-SNVBAGLBSA-N 2 2 283.376 0.485 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]CCNC(=O)C[N@H+](C)C(C)C)n1 ZINC001152445221 800522674 /nfs/dbraw/zinc/52/26/74/800522674.db2.gz DQPYBJVLHZEKCW-SNVBAGLBSA-N 2 2 283.376 0.485 20 0 CCADLP O=S(=O)([C@@H]1CC[NH2+]C1)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001239094294 806846335 /nfs/dbraw/zinc/84/63/35/806846335.db2.gz TYTNXWXQMWSHLA-ZIAGYGMSSA-N 2 2 295.408 0.325 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CCOC1CCC1 ZINC001153495868 800635958 /nfs/dbraw/zinc/63/59/58/800635958.db2.gz QMGKBRKLWNRKIU-UHFFFAOYSA-N 2 2 266.345 0.158 20 0 CCADLP CCN(CC)c1cc(N[C@@H]2COC[C@@H]2[NH3+])nc[nH+]1 ZINC001155353974 800957239 /nfs/dbraw/zinc/95/72/39/800957239.db2.gz WALMPLYFUPMMQI-VHSXEESVSA-N 2 2 251.334 0.461 20 0 CCADLP Cc1nc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)c2c([nH+]1)CCC2 ZINC001155576383 801013190 /nfs/dbraw/zinc/01/31/90/801013190.db2.gz QJMLHGLKASTEOI-FZMZJTMJSA-N 2 2 273.340 0.264 20 0 CCADLP CN1CC[C@@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)C1=O ZINC001156507208 801177513 /nfs/dbraw/zinc/17/75/13/801177513.db2.gz LSNKJCVCCYWSLS-GFCCVEGCSA-N 2 2 275.356 0.134 20 0 CCADLP Nc1cc(CNc2ccc(N3CC[NH2+]CC3)nn2)cc[nH+]1 ZINC001156755655 801231649 /nfs/dbraw/zinc/23/16/49/801231649.db2.gz GURHZUNECCKJLU-UHFFFAOYSA-N 2 2 285.355 0.476 20 0 CCADLP CC[N@H+](C[C@@H](C)OC)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157294361 801345068 /nfs/dbraw/zinc/34/50/68/801345068.db2.gz XQYKKQIEOHZBDM-CHWSQXEVSA-N 2 2 282.388 0.745 20 0 CCADLP CC[N@@H+](C[C@@H](C)OC)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157294361 801345075 /nfs/dbraw/zinc/34/50/75/801345075.db2.gz XQYKKQIEOHZBDM-CHWSQXEVSA-N 2 2 282.388 0.745 20 0 CCADLP CC[N@H+](CCCOC)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157294367 801346166 /nfs/dbraw/zinc/34/61/66/801346166.db2.gz XTTFSLAMGVAKHD-CYBMUJFWSA-N 2 2 282.388 0.746 20 0 CCADLP CC[N@@H+](CCCOC)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157294367 801346171 /nfs/dbraw/zinc/34/61/71/801346171.db2.gz XTTFSLAMGVAKHD-CYBMUJFWSA-N 2 2 282.388 0.746 20 0 CCADLP C[NH+]1CCN(C(=O)[C@H]([NH3+])Cc2ccnc3ccccc23)CC1 ZINC001157451389 801386975 /nfs/dbraw/zinc/38/69/75/801386975.db2.gz USBLCWQGXFCRPX-OAHLLOKOSA-N 2 2 298.390 0.879 20 0 CCADLP C[C@]1(CO)CCCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC1 ZINC001157900478 801513384 /nfs/dbraw/zinc/51/33/84/801513384.db2.gz KISXTFZFBNJUFX-UXOAXIEHSA-N 2 2 281.400 0.219 20 0 CCADLP COC(=O)c1cccc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001157910368 801517037 /nfs/dbraw/zinc/51/70/37/801517037.db2.gz FYNRENBQAGCNEC-UHFFFAOYSA-N 2 2 277.328 0.462 20 0 CCADLP CC(C)N(c1cc(N2CCOCC2)[nH+]cn1)[C@@H]1CC[NH2+]C1 ZINC001158022439 801555029 /nfs/dbraw/zinc/55/50/29/801555029.db2.gz OCDNGFMHNMSOFK-CYBMUJFWSA-N 2 2 291.399 0.890 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)N1C[C@H]2c3ccccc3C(=O)[C@H]2C1 ZINC001158179883 801584349 /nfs/dbraw/zinc/58/43/49/801584349.db2.gz SJNSOMOSDOTGHH-AVGNSLFASA-N 2 2 273.336 0.101 20 0 CCADLP CSc1nc(C)cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158203452 801591665 /nfs/dbraw/zinc/59/16/65/801591665.db2.gz NKODBTWTCALKHV-SECBINFHSA-N 2 2 279.369 0.555 20 0 CCADLP CCCc1nccnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158208954 801595790 /nfs/dbraw/zinc/59/57/90/801595790.db2.gz ASESXLDGSLQUFM-SNVBAGLBSA-N 2 2 261.329 0.477 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Nc2cc(N(C)C)[nH+]c(C)n2)C[NH2+]1 ZINC001158254895 801605713 /nfs/dbraw/zinc/60/57/13/801605713.db2.gz XTOPBQAMLMLWII-ZJUUUORDSA-N 2 2 279.344 0.166 20 0 CCADLP Cc1cnnc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)c1 ZINC001158259592 801608993 /nfs/dbraw/zinc/60/89/93/801608993.db2.gz SGGSGOHIPHCTLH-LBPRGKRZSA-N 2 2 261.373 0.787 20 0 CCADLP Cc1cnnc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)c1 ZINC001158259592 801608995 /nfs/dbraw/zinc/60/89/95/801608995.db2.gz SGGSGOHIPHCTLH-LBPRGKRZSA-N 2 2 261.373 0.787 20 0 CCADLP C[C@]1(C(=O)N2CCC[C@@H]3[NH2+]C[C@@H]32)CC(F)(F)C[NH2+]1 ZINC001158423809 801643823 /nfs/dbraw/zinc/64/38/23/801643823.db2.gz PKMCQOIDMONZCO-ATZCPNFKSA-N 2 2 259.300 0.337 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCCC[NH2+]CC1CCOCC1 ZINC001159540548 801832333 /nfs/dbraw/zinc/83/23/33/801832333.db2.gz RCYBRUUJFPRRJA-UHFFFAOYSA-N 2 2 294.399 0.865 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCCC[NH2+]CC1CCOCC1 ZINC001159540548 801832340 /nfs/dbraw/zinc/83/23/40/801832340.db2.gz RCYBRUUJFPRRJA-UHFFFAOYSA-N 2 2 294.399 0.865 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCCC[NH2+]CCCF ZINC001159537064 801832501 /nfs/dbraw/zinc/83/25/01/801832501.db2.gz IODRDSUVONUQFE-UHFFFAOYSA-N 2 2 256.325 0.798 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCCC[NH2+]CCCF ZINC001159537064 801832507 /nfs/dbraw/zinc/83/25/07/801832507.db2.gz IODRDSUVONUQFE-UHFFFAOYSA-N 2 2 256.325 0.798 20 0 CCADLP CCOC(=O)CN(CC[NH3+])c1cc(-n2cc[nH+]c2)ccn1 ZINC001159865344 801883863 /nfs/dbraw/zinc/88/38/63/801883863.db2.gz FHJLKUWGRBNUDN-UHFFFAOYSA-N 2 2 289.339 0.596 20 0 CCADLP CO[C@H](C)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160325908 801930863 /nfs/dbraw/zinc/93/08/63/801930863.db2.gz FPCSBIKRCXIPLE-IJLUTSLNSA-N 2 2 280.372 0.644 20 0 CCADLP CO[C@H](C)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160325908 801930867 /nfs/dbraw/zinc/93/08/67/801930867.db2.gz FPCSBIKRCXIPLE-IJLUTSLNSA-N 2 2 280.372 0.644 20 0 CCADLP CC[NH+](CC)C1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001160482746 801949404 /nfs/dbraw/zinc/94/94/04/801949404.db2.gz KRNOJJDZUKYNHZ-CJNGLKHVSA-N 3 2 294.443 0.271 20 0 CCADLP CCN(C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)C1CCOCC1 ZINC001160495449 801950371 /nfs/dbraw/zinc/95/03/71/801950371.db2.gz YOKYIIMORMLKPM-BZPMIXESSA-N 2 2 267.373 0.236 20 0 CCADLP [NH3+]C1(C(=O)N2CCO[C@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC001160530263 801963365 /nfs/dbraw/zinc/96/33/65/801963365.db2.gz GJVCGTFLDXWOAA-AWEZNQCLSA-N 2 2 289.379 0.667 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC(C(=O)C(F)(F)F)CC1 ZINC001160548549 801968823 /nfs/dbraw/zinc/96/88/23/801968823.db2.gz INQPCJWTIQDVEC-QMMMGPOBSA-N 2 2 281.278 0.033 20 0 CCADLP COC(C)(C)[C@@H]1CCCN1C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160581220 801974210 /nfs/dbraw/zinc/97/42/10/801974210.db2.gz FIIHJVJMDGDVHS-HUBLWGQQSA-N 2 2 281.400 0.354 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2CCC[C@H](CCO)C2)cc1 ZINC001160610777 801981775 /nfs/dbraw/zinc/98/17/75/801981775.db2.gz LVXSWCKZKIZOOV-IUODEOHRSA-N 2 2 291.395 0.880 20 0 CCADLP CCc1noc([C@H]2CCCN(C(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)C2)n1 ZINC001160741052 802013521 /nfs/dbraw/zinc/01/35/21/802013521.db2.gz FFBWVYFDMBYHGM-AXFHLTTASA-N 2 2 293.371 0.027 20 0 CCADLP C[NH2+][C@@H](CC(C)C)C(=O)N1CCc2[nH+]ccn2CC1 ZINC001160760789 802016788 /nfs/dbraw/zinc/01/67/88/802016788.db2.gz SISDZILDCSGJMV-LBPRGKRZSA-N 2 2 264.373 0.902 20 0 CCADLP COCC[NH2+]CCCNC(=O)Cc1c[nH+]ccc1OC ZINC001160837390 802026728 /nfs/dbraw/zinc/02/67/28/802026728.db2.gz BHKKWPJJYKEMMJ-UHFFFAOYSA-N 2 2 281.356 0.375 20 0 CCADLP CN(C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161057772 802078236 /nfs/dbraw/zinc/07/82/36/802078236.db2.gz GCXTZGRNUFXMKI-SDDRHHMPSA-N 3 2 265.361 0.008 20 0 CCADLP CN(C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161057771 802078631 /nfs/dbraw/zinc/07/86/31/802078631.db2.gz GCXTZGRNUFXMKI-QJPTWQEYSA-N 3 2 265.361 0.008 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCc2[nH]ccc2C1 ZINC001161134661 802098107 /nfs/dbraw/zinc/09/81/07/802098107.db2.gz HZBUUUXAAFXJTM-LBPRGKRZSA-N 2 2 273.340 0.203 20 0 CCADLP CCN(CCC(=O)OC)C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001161132604 802098337 /nfs/dbraw/zinc/09/83/37/802098337.db2.gz PWRPTTFWRFBMHZ-CYBMUJFWSA-N 2 2 293.367 0.670 20 0 CCADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)c1cccc(C[NH3+])c1 ZINC001161238036 802113987 /nfs/dbraw/zinc/11/39/87/802113987.db2.gz QOLMDDGNUNQPLT-CYBMUJFWSA-N 2 2 291.351 0.075 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)c1cccc(C[NH3+])c1 ZINC001161238036 802113994 /nfs/dbraw/zinc/11/39/94/802113994.db2.gz QOLMDDGNUNQPLT-CYBMUJFWSA-N 2 2 291.351 0.075 20 0 CCADLP CO[C@H](C)C[NH2+]CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001161315033 802123524 /nfs/dbraw/zinc/12/35/24/802123524.db2.gz MUGYBQUMGDHHCR-CHWSQXEVSA-N 2 2 294.399 0.576 20 0 CCADLP C[C@]1(C[NH3+])CCCN(C(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)C1 ZINC001161486772 802162764 /nfs/dbraw/zinc/16/27/64/802162764.db2.gz AWPKUSHBVAKOCN-GOEBONIOSA-N 3 2 290.411 0.846 20 0 CCADLP CCOC(=O)[C@H]([NH3+])CNc1cc(Cl)nc2c1CC[NH2+]C2 ZINC001161949733 802255430 /nfs/dbraw/zinc/25/54/30/802255430.db2.gz HDRXMMBOVBLEJA-SECBINFHSA-N 2 2 298.774 0.683 20 0 CCADLP CCOC(=O)C1CCC([NH2+][C@@H]2COC[C@H]2[NH3+])CC1 ZINC001255251707 808336475 /nfs/dbraw/zinc/33/64/75/808336475.db2.gz BQLXPRNFDTWUTN-KIDURHIOSA-N 2 2 256.346 0.424 20 0 CCADLP CC1(C)C(=O)NC[C@H]1Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001163012672 802457143 /nfs/dbraw/zinc/45/71/43/802457143.db2.gz YWUQUSGYXKPHRK-GFCCVEGCSA-N 2 2 289.383 0.428 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCCC[NH2+]C[C@H]1CCOC1 ZINC001163051315 802468354 /nfs/dbraw/zinc/46/83/54/802468354.db2.gz WGFPXVPQXPHFPT-CYBMUJFWSA-N 2 2 294.399 0.485 20 0 CCADLP CCOCC[NH2+]CCCNC(=O)CCc1[nH+]ccn1C ZINC001163051050 802468585 /nfs/dbraw/zinc/46/85/85/802468585.db2.gz RANGPOPXKSOIMF-UHFFFAOYSA-N 2 2 282.388 0.485 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]([NH3+])C1CN(c2[nH+]cccc2N)C1 ZINC001163117600 802485702 /nfs/dbraw/zinc/48/57/02/802485702.db2.gz KYQMFVRFANNCDF-NSHDSACASA-N 2 2 278.356 0.769 20 0 CCADLP CC(C)(C)OC(=O)[C@H]([NH3+])C1CN(c2cc[nH+]c(N)n2)C1 ZINC001163119631 802485734 /nfs/dbraw/zinc/48/57/34/802485734.db2.gz TZOOOBAWROVYCL-SNVBAGLBSA-N 2 2 279.344 0.164 20 0 CCADLP Nc1cn2ccc(N[C@@H]3C[NH2+][C@@H]4COC[C@H]34)cc2[nH+]1 ZINC001163141584 802492807 /nfs/dbraw/zinc/49/28/07/802492807.db2.gz MTCZQWUDESSWHS-GMTAPVOTSA-N 2 2 259.313 0.315 20 0 CCADLP O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2cc(N3CCCC3)[nH+]cn2)N1 ZINC001163239162 802512367 /nfs/dbraw/zinc/51/23/67/802512367.db2.gz RICAFIXJQDKEMZ-QMTHXVAHSA-N 2 2 288.355 0.067 20 0 CCADLP C[N@@H+]1CCc2ncnc(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)c2C1 ZINC001163261540 802524326 /nfs/dbraw/zinc/52/43/26/802524326.db2.gz BTRHQKRNGHZZBF-SUNKGSAMSA-N 2 2 273.384 0.874 20 0 CCADLP C[N@H+]1CCc2ncnc(N[C@H]3CC[C@@H]4C[NH2+]C[C@@H]43)c2C1 ZINC001163261540 802524329 /nfs/dbraw/zinc/52/43/29/802524329.db2.gz BTRHQKRNGHZZBF-SUNKGSAMSA-N 2 2 273.384 0.874 20 0 CCADLP FC1(F)C[NH2+]CCN(c2cc(C3C[NH2+]C3)ncn2)C1 ZINC001164502267 802750652 /nfs/dbraw/zinc/75/06/52/802750652.db2.gz MFJCYOBMNVDONQ-UHFFFAOYSA-N 2 2 269.299 0.208 20 0 CCADLP CC[NH2+]CCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001166407694 802905266 /nfs/dbraw/zinc/90/52/66/802905266.db2.gz BNTRPPBSCOEUFM-JTQLQIEISA-N 2 2 250.346 0.945 20 0 CCADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4C[C@H]3CO4)[nH+]2)CC1 ZINC001166757019 802957619 /nfs/dbraw/zinc/95/76/19/802957619.db2.gz XRHBPGAGVBJYOK-STQMWFEESA-N 2 2 274.368 0.811 20 0 CCADLP C[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001166960538 802995934 /nfs/dbraw/zinc/99/59/34/802995934.db2.gz JNHHTKIVPVWPLY-QJPTWQEYSA-N 2 2 280.372 0.000 20 0 CCADLP COCC[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001204075807 803062395 /nfs/dbraw/zinc/06/23/95/803062395.db2.gz GIFNUVMUBPCRRN-UHFFFAOYSA-N 2 2 266.345 0.110 20 0 CCADLP Cc1cc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)nn1C ZINC001205673601 803155085 /nfs/dbraw/zinc/15/50/85/803155085.db2.gz RYHOLSCRGNLKFU-ZDUSSCGKSA-N 2 2 252.362 0.404 20 0 CCADLP Cc1cc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)nn1C ZINC001205673601 803155087 /nfs/dbraw/zinc/15/50/87/803155087.db2.gz RYHOLSCRGNLKFU-ZDUSSCGKSA-N 2 2 252.362 0.404 20 0 CCADLP COC(=O)c1cccc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)n1 ZINC001205690950 803158225 /nfs/dbraw/zinc/15/82/25/803158225.db2.gz ZFBXJZMZFBELRO-OAHLLOKOSA-N 2 2 293.367 0.544 20 0 CCADLP COC(=O)c1cccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)n1 ZINC001205690950 803158230 /nfs/dbraw/zinc/15/82/30/803158230.db2.gz ZFBXJZMZFBELRO-OAHLLOKOSA-N 2 2 293.367 0.544 20 0 CCADLP C[C@H](O)C[NH2+]CC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001205804536 803175464 /nfs/dbraw/zinc/17/54/64/803175464.db2.gz CRRFDSNEPJLWGH-ZDUSSCGKSA-N 2 2 294.399 0.482 20 0 CCADLP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cn3c(n2)C[NH2+]CC3)CC1 ZINC001206304975 803226443 /nfs/dbraw/zinc/22/64/43/803226443.db2.gz SJJDKKGPYPSFPB-OAHLLOKOSA-N 3 2 277.416 0.937 20 0 CCADLP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cn3c(n2)C[NH2+]CC3)CC1 ZINC001206304975 803226448 /nfs/dbraw/zinc/22/64/48/803226448.db2.gz SJJDKKGPYPSFPB-OAHLLOKOSA-N 3 2 277.416 0.937 20 0 CCADLP COc1cc(O)ccc1C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206467972 803247187 /nfs/dbraw/zinc/24/71/87/803247187.db2.gz FGZJVZFPGBPCRF-CMPLNLGQSA-N 2 2 252.314 0.152 20 0 CCADLP COc1cc(O)ccc1C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206467972 803247192 /nfs/dbraw/zinc/24/71/92/803247192.db2.gz FGZJVZFPGBPCRF-CMPLNLGQSA-N 2 2 252.314 0.152 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2cccc3c2OCO3)C[C@@H]1O ZINC001206525007 803259766 /nfs/dbraw/zinc/25/97/66/803259766.db2.gz GQQSINKXSHXPDZ-QWRGUYRKSA-N 2 2 250.298 0.167 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2cccc3c2OCO3)C[C@@H]1O ZINC001206525007 803259770 /nfs/dbraw/zinc/25/97/70/803259770.db2.gz GQQSINKXSHXPDZ-QWRGUYRKSA-N 2 2 250.298 0.167 20 0 CCADLP CN1CC[NH+](CCCO[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@@H+]3C)CC1 ZINC001206590230 803271459 /nfs/dbraw/zinc/27/14/59/803271459.db2.gz ILMVAQKGEAWZGY-IMJJTQAJSA-N 2 2 295.427 0.445 20 0 CCADLP CN1CC[NH+](CCCO[C@H]2C[C@@H]3CC(=O)C[C@H]2[N@H+]3C)CC1 ZINC001206590230 803271466 /nfs/dbraw/zinc/27/14/66/803271466.db2.gz ILMVAQKGEAWZGY-IMJJTQAJSA-N 2 2 295.427 0.445 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C[NH2+]CCCO)CC1 ZINC001206898105 803303377 /nfs/dbraw/zinc/30/33/77/803303377.db2.gz CHSBCEQWVKNMPW-UHFFFAOYSA-N 2 2 294.399 0.471 20 0 CCADLP COCCC[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001206970691 803319817 /nfs/dbraw/zinc/31/98/17/803319817.db2.gz BMJJMXUQNZPIDY-UHFFFAOYSA-N 2 2 294.399 0.748 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC(C[NH2+]CCF)CC1 ZINC001206970689 803319871 /nfs/dbraw/zinc/31/98/71/803319871.db2.gz BFFVZWDIPYQMKN-UHFFFAOYSA-N 2 2 268.336 0.681 20 0 CCADLP COC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208247613 803500251 /nfs/dbraw/zinc/50/02/51/803500251.db2.gz PKNUANHDFVPTSD-HZSPNIEDSA-N 2 2 294.399 0.745 20 0 CCADLP COC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208247613 803500255 /nfs/dbraw/zinc/50/02/55/803500255.db2.gz PKNUANHDFVPTSD-HZSPNIEDSA-N 2 2 294.399 0.745 20 0 CCADLP CCOC(=O)C1=C(O)CC[N@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208607972 803527854 /nfs/dbraw/zinc/52/78/54/803527854.db2.gz OKEXXLIBJKOEAW-OLZOCXBDSA-N 2 2 282.384 0.782 20 0 CCADLP CCOC(=O)C1=C(O)CC[N@@H+](C[C@@H]2CCC[NH+](C)C2)C1 ZINC001208607972 803527857 /nfs/dbraw/zinc/52/78/57/803527857.db2.gz OKEXXLIBJKOEAW-OLZOCXBDSA-N 2 2 282.384 0.782 20 0 CCADLP CCOC(=O)C1=C(O)CC[NH+](C[C@@H]2CCC[N@H+](C)C2)C1 ZINC001208607972 803527858 /nfs/dbraw/zinc/52/78/58/803527858.db2.gz OKEXXLIBJKOEAW-OLZOCXBDSA-N 2 2 282.384 0.782 20 0 CCADLP CCOC(=O)C1=C(O)CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC001208607972 803527861 /nfs/dbraw/zinc/52/78/61/803527861.db2.gz OKEXXLIBJKOEAW-OLZOCXBDSA-N 2 2 282.384 0.782 20 0 CCADLP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3cnsc3)C[C@@H]21 ZINC001276609426 803565694 /nfs/dbraw/zinc/56/56/94/803565694.db2.gz ZOGDVPMIQUVERB-KBPBESRZSA-N 2 2 296.440 0.590 20 0 CCADLP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3cnsc3)C[C@@H]21 ZINC001276609426 803565696 /nfs/dbraw/zinc/56/56/96/803565696.db2.gz ZOGDVPMIQUVERB-KBPBESRZSA-N 2 2 296.440 0.590 20 0 CCADLP COCCC[N@@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001209051152 803570934 /nfs/dbraw/zinc/57/09/34/803570934.db2.gz IVDAHTKWHFWHRY-UHFFFAOYSA-N 2 2 290.371 0.765 20 0 CCADLP COCCC[N@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001209051152 803570937 /nfs/dbraw/zinc/57/09/37/803570937.db2.gz IVDAHTKWHFWHRY-UHFFFAOYSA-N 2 2 290.371 0.765 20 0 CCADLP COCC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209836510 803632305 /nfs/dbraw/zinc/63/23/05/803632305.db2.gz LHQPXHXIHBPZAP-LLVKDONJSA-N 2 2 266.345 0.179 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ncnc2sccc21 ZINC001218514931 803978316 /nfs/dbraw/zinc/97/83/16/803978316.db2.gz FXISAWAPTGJXKZ-SECBINFHSA-N 2 2 288.336 0.923 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1nc(Br)ccc1O ZINC001218515084 803978446 /nfs/dbraw/zinc/97/84/46/803978446.db2.gz XZFMEDLBOJOXFX-YFKPBYRVSA-N 2 2 289.133 0.164 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1nc2c(s1)CCC2 ZINC001218519165 803981666 /nfs/dbraw/zinc/98/16/66/803981666.db2.gz WLGSZTJIHXXVTE-BQBZGAKWSA-N 2 2 252.343 0.117 20 0 CCADLP COc1ccc(NC(=O)C[NH2+]C2CC[NH2+]CC2)c(C)n1 ZINC001218538158 803992875 /nfs/dbraw/zinc/99/28/75/803992875.db2.gz IPSATEGNDLEGFY-UHFFFAOYSA-N 2 2 278.356 0.679 20 0 CCADLP COC(=O)c1cnc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c(Cl)c1 ZINC001218596772 804028572 /nfs/dbraw/zinc/02/85/72/804028572.db2.gz QRNTYJTZAWSAKC-CBAPKCEASA-N 2 2 298.730 0.007 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cc(-c2ccncc2)no1 ZINC001218626405 804042957 /nfs/dbraw/zinc/04/29/57/804042957.db2.gz IBUXYBVYPUUQRM-NSHDSACASA-N 2 2 298.306 0.968 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1cc(Cl)ncc1CO ZINC001218694182 804081591 /nfs/dbraw/zinc/08/15/91/804081591.db2.gz SUDYRMCMDKDQRH-UHFFFAOYSA-N 2 2 298.774 0.507 20 0 CCADLP [NH3+]C1(C(=O)Nc2cc([C@@H]3CCC[NH2+]3)no2)CC[NH2+]CC1 ZINC001218710791 804092598 /nfs/dbraw/zinc/09/25/98/804092598.db2.gz HXEASMDULFRMCE-VIFPVBQESA-N 3 2 279.344 0.119 20 0 CCADLP Cc1cnn(-c2ccccn2)c1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218741924 804103695 /nfs/dbraw/zinc/10/36/95/804103695.db2.gz UMCWYKSTIDDYMJ-MNOVXSKESA-N 2 2 286.339 0.203 20 0 CCADLP Cc1cnn(-c2ccccn2)c1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218741053 804103988 /nfs/dbraw/zinc/10/39/88/804103988.db2.gz IGVCNGPWZPHDKT-QWRGUYRKSA-N 2 2 286.339 0.061 20 0 CCADLP COc1cc(Cl)ncc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218758060 804113115 /nfs/dbraw/zinc/11/31/15/804113115.db2.gz ZBGUCVNQDLTVIJ-BQBZGAKWSA-N 2 2 270.720 0.229 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2csc(-c3ccncc3)n2)C1 ZINC001218763767 804113930 /nfs/dbraw/zinc/11/39/30/804113930.db2.gz DNOCCGTXCAATNB-ZJUUUORDSA-N 2 2 289.364 0.833 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccc(Cl)nc1N ZINC001218767922 804116422 /nfs/dbraw/zinc/11/64/22/804116422.db2.gz DOBBVJUNYJETSP-QMMMGPOBSA-N 2 2 294.746 0.559 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccnn1Br ZINC001218772224 804117986 /nfs/dbraw/zinc/11/79/86/804117986.db2.gz LPOUDDKHCVJJDS-ZETCQYMHSA-N 2 2 299.132 0.273 20 0 CCADLP CCc1ncsc1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218800207 804124185 /nfs/dbraw/zinc/12/41/85/804124185.db2.gz CSYQAAOONNADTR-UHFFFAOYSA-N 2 2 254.359 0.725 20 0 CCADLP [NH3+]C1(C(=O)Nc2nc3n[nH]cc3c(Cl)n2)CC[NH2+]CC1 ZINC001218799507 804124482 /nfs/dbraw/zinc/12/44/82/804124482.db2.gz RVXQLBZJRBDEEY-UHFFFAOYSA-N 2 2 295.734 0.026 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2scnc2C2CC2)C1 ZINC001218806497 804126783 /nfs/dbraw/zinc/12/67/83/804126783.db2.gz NNAKWPMUBVSCQY-SFYZADRCSA-N 2 2 252.343 0.648 20 0 CCADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001218812721 804131631 /nfs/dbraw/zinc/13/16/31/804131631.db2.gz XOFNPXPKXPHMQM-OLZOCXBDSA-N 2 2 272.308 0.391 20 0 CCADLP Cc1ccc2c(c1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)CNC2=O ZINC001218820261 804133520 /nfs/dbraw/zinc/13/35/20/804133520.db2.gz SCJZKUFDDKHBCL-GFCCVEGCSA-N 2 2 299.334 0.470 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccc3c(c2)NCCC3)C1 ZINC001218903918 804153156 /nfs/dbraw/zinc/15/31/56/804153156.db2.gz KZFJJRPVJLNYPY-MFKMUULPSA-N 2 2 260.341 0.672 20 0 CCADLP CC1(C)c2ccc(NC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])cc2NC1=O ZINC001218977497 804171771 /nfs/dbraw/zinc/17/17/71/804171771.db2.gz DFBYYYQZAZOMLC-ONGXEEELSA-N 2 2 288.351 0.402 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2)C1 ZINC001219016487 804182592 /nfs/dbraw/zinc/18/25/92/804182592.db2.gz GLSSAXXVEXAYBJ-RISCZKNCSA-N 2 2 298.346 0.465 20 0 CCADLP COCCCNC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001219558197 804348552 /nfs/dbraw/zinc/34/85/52/804348552.db2.gz MEHMDWWMEUTMGR-GFCCVEGCSA-N 2 2 251.330 0.411 20 0 CCADLP Cc1ncc(CNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)s1 ZINC001219595880 804366792 /nfs/dbraw/zinc/36/67/92/804366792.db2.gz URGOLIOYYJAUAC-CABZTGNLSA-N 2 2 266.370 0.019 20 0 CCADLP C[C@@H]1CCCC[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219673631 804402245 /nfs/dbraw/zinc/40/22/45/804402245.db2.gz LKTRXCUGIYZMGB-CXTNEJHOSA-N 2 2 265.401 0.880 20 0 CCADLP C[C@@H](NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)c1nc2ccccc2[nH]1 ZINC001219701790 804409065 /nfs/dbraw/zinc/40/90/65/804409065.db2.gz QGKURHHQUMLWQA-IIHVQRNFSA-N 2 2 299.378 0.962 20 0 CCADLP COc1ccc(O[C@@H](C)CNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc1 ZINC001219945214 804455345 /nfs/dbraw/zinc/45/53/45/804455345.db2.gz DJLZTMSFQNTBHX-WDMOLILDSA-N 2 2 293.367 0.268 20 0 CCADLP Cc1c[nH]c(CCNC(=O)[C@@H]([NH3+])C2CCC(O)CC2)[nH+]1 ZINC001219952031 804456352 /nfs/dbraw/zinc/45/63/52/804456352.db2.gz MBYHJSUBUDVAOG-XIVSLSHWSA-N 2 2 280.372 0.255 20 0 CCADLP Cc1c[nH]c(CCNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)[nH+]1 ZINC001219952494 804456380 /nfs/dbraw/zinc/45/63/80/804456380.db2.gz WLVITYALMNZSLR-GHMZBOCLSA-N 2 2 250.346 0.765 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC1CCC(C(F)(F)F)CC1 ZINC001219982933 804464908 /nfs/dbraw/zinc/46/49/08/804464908.db2.gz WXMFEWSZNXQJIB-QLEHZGMVSA-N 2 2 279.306 0.770 20 0 CCADLP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220062100 804491155 /nfs/dbraw/zinc/49/11/55/804491155.db2.gz MBQLLJFZDYQUIR-JSGCOSHPSA-N 3 2 293.415 0.660 20 0 CCADLP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220062100 804491158 /nfs/dbraw/zinc/49/11/58/804491158.db2.gz MBQLLJFZDYQUIR-JSGCOSHPSA-N 3 2 293.415 0.660 20 0 CCADLP Cn1cc2cccc(CNC(=O)C3([NH3+])CC[NH2+]CC3)c2n1 ZINC001220143846 804512979 /nfs/dbraw/zinc/51/29/79/804512979.db2.gz XRCSVNBILYSQEP-UHFFFAOYSA-N 2 2 287.367 0.270 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCCc2cccnc21 ZINC001220225882 804542037 /nfs/dbraw/zinc/54/20/37/804542037.db2.gz KSELVCGAMZZMMX-STQMWFEESA-N 2 2 285.351 0.868 20 0 CCADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220331629 804574315 /nfs/dbraw/zinc/57/43/15/804574315.db2.gz AHPAUJPWUYSYSK-AWEZNQCLSA-N 3 2 296.459 0.565 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N[C@H]2CC23CCOCC3)cc1 ZINC001220331868 804577177 /nfs/dbraw/zinc/57/71/77/804577177.db2.gz DQYHWFDZBPOMIJ-KGLIPLIRSA-N 2 2 289.379 0.944 20 0 CCADLP O=C(NCc1cc[nH]c1)[C@H]1CCC[N@@H+]([C@@H]2CC[NH2+]C2)C1 ZINC001220386322 804591318 /nfs/dbraw/zinc/59/13/18/804591318.db2.gz PACGUEQSSYDNRO-UONOGXRCSA-N 2 2 276.384 0.705 20 0 CCADLP O=C(NCc1cc[nH]c1)[C@H]1CCC[N@H+]([C@@H]2CC[NH2+]C2)C1 ZINC001220386322 804591321 /nfs/dbraw/zinc/59/13/21/804591321.db2.gz PACGUEQSSYDNRO-UONOGXRCSA-N 2 2 276.384 0.705 20 0 CCADLP O=C(NCCc1c[nH]c2cccnc12)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220384061 804591428 /nfs/dbraw/zinc/59/14/28/804591428.db2.gz IJCQPTKEYOAXDG-WBMJQRKESA-N 2 2 299.378 0.173 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@H]2CCc3ccc(O)cc3C2)C1 ZINC001220592485 804632623 /nfs/dbraw/zinc/63/26/23/804632623.db2.gz LICZFNJZHLEOGQ-DYEKYZERSA-N 2 2 275.352 0.055 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCCc1ccc2[nH]ccc2c1 ZINC001220592822 804633475 /nfs/dbraw/zinc/63/34/75/804633475.db2.gz VPBRAEHIQPVFMU-STQMWFEESA-N 2 2 272.352 0.373 20 0 CCADLP O=C(NCCc1ccc2[nH]ccc2c1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220591011 804633758 /nfs/dbraw/zinc/63/37/58/804633758.db2.gz SZGWLPHOEXSDMX-WMLDXEAASA-N 2 2 298.390 0.778 20 0 CCADLP N=C(NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)c1cccnc1Cl ZINC001220660515 804644240 /nfs/dbraw/zinc/64/42/40/804644240.db2.gz IAULRTWDEGPMRN-VIFPVBQESA-N 2 2 292.730 0.470 20 0 CCADLP CC(C)C[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])c1ccccn1 ZINC001220718519 804655519 /nfs/dbraw/zinc/65/55/19/804655519.db2.gz BHWQNNGLHXOZMQ-OBJOEFQTSA-N 2 2 276.384 0.832 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)c1cccc(C[NH3+])c1 ZINC001220725341 804656958 /nfs/dbraw/zinc/65/69/58/804656958.db2.gz QKPYTXYTRYVRPQ-GFCCVEGCSA-N 2 2 277.368 0.596 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)c1cccc(C[NH3+])c1 ZINC001220725341 804656963 /nfs/dbraw/zinc/65/69/63/804656963.db2.gz QKPYTXYTRYVRPQ-GFCCVEGCSA-N 2 2 277.368 0.596 20 0 CCADLP O=C(NC1CC2(C1)CC(F)(F)C2)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220736482 804657631 /nfs/dbraw/zinc/65/76/31/804657631.db2.gz LRJJOGZJVVAGRZ-YMTOWFKASA-N 2 2 285.338 0.632 20 0 CCADLP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)NCc1[nH+]cn2ccccc12 ZINC001221008333 804716668 /nfs/dbraw/zinc/71/66/68/804716668.db2.gz REBCIWGEABUIJQ-NSHDSACASA-N 2 2 284.323 0.244 20 0 CCADLP CCOc1ccc([C@@H](C)NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc1 ZINC001221084793 804728152 /nfs/dbraw/zinc/72/81/52/804728152.db2.gz SOBWESOMDHWCKW-QKCSRTOESA-N 2 2 277.368 0.952 20 0 CCADLP O=C(NC[C@@H]1CCc2ccccc21)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221100067 804730043 /nfs/dbraw/zinc/73/00/43/804730043.db2.gz BQYNBORHARHSCG-ZQIUZPCESA-N 2 2 285.391 0.784 20 0 CCADLP CC(C)n1ccc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc1=O ZINC001221151511 804734790 /nfs/dbraw/zinc/73/47/90/804734790.db2.gz HNGGZDIDQRHOSW-JTQLQIEISA-N 2 2 252.318 0.044 20 0 CCADLP CC(C)(CNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)CC1CC1 ZINC001221166486 804739367 /nfs/dbraw/zinc/73/93/67/804739367.db2.gz IBRFOKKVSWZEKM-IUODEOHRSA-N 2 2 265.401 0.880 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCc1cnc(Cl)cn1 ZINC001221319424 804776182 /nfs/dbraw/zinc/77/61/82/804776182.db2.gz ZUEYKPLLLKQKEO-JTQLQIEISA-N 2 2 294.746 0.050 20 0 CCADLP CC(=O)Nc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc1 ZINC001221338067 804781223 /nfs/dbraw/zinc/78/12/23/804781223.db2.gz WYVRNJDUSVAGSE-BHYNMZESSA-N 2 2 290.367 0.511 20 0 CCADLP CCCC(C[NH3+])(CCC)NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001221372408 804790780 /nfs/dbraw/zinc/79/07/80/804790780.db2.gz NFCAZPKMJCPLSQ-JMSVASOKSA-N 3 2 282.432 0.622 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)[C@H](C)C1 ZINC001221406790 804808492 /nfs/dbraw/zinc/80/84/92/804808492.db2.gz ILMHKNWGFDADBL-CAEXGNQWSA-N 3 2 294.443 0.171 20 0 CCADLP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)[C@H](C)C1 ZINC001221406790 804808495 /nfs/dbraw/zinc/80/84/95/804808495.db2.gz ILMHKNWGFDADBL-CAEXGNQWSA-N 3 2 294.443 0.171 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001222091831 804865943 /nfs/dbraw/zinc/86/59/43/804865943.db2.gz ANEZADPYOVCSKI-ZDUSSCGKSA-N 2 2 280.372 0.236 20 0 CCADLP Fc1cccnc1CN1CC[NH2+]C2(CC[NH2+]CC2)C1 ZINC001222086034 804866483 /nfs/dbraw/zinc/86/64/83/804866483.db2.gz RCVXITMXLBFTBL-UHFFFAOYSA-N 2 2 264.348 0.748 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC1CC[NH+](CCO)CC1 ZINC001223420759 804970507 /nfs/dbraw/zinc/97/05/07/804970507.db2.gz VXWAOJAWPOIVNY-UHFFFAOYSA-N 2 2 280.372 0.163 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC1CC[NH+](CCO)CC1 ZINC001223420759 804970509 /nfs/dbraw/zinc/97/05/09/804970509.db2.gz VXWAOJAWPOIVNY-UHFFFAOYSA-N 2 2 280.372 0.163 20 0 CCADLP COCC[NH2+]CC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1n1cncn1 ZINC000423331125 804975810 /nfs/dbraw/zinc/97/58/10/804975810.db2.gz MMVNMWUJTPDLPA-MGPQQGTHSA-N 2 2 281.404 0.833 20 0 CCADLP Cc1cncc(C(=O)NCC[NH+]2CCC([NH3+])CC2)c1 ZINC000321286169 805006578 /nfs/dbraw/zinc/00/65/78/805006578.db2.gz HULOWLIOMNAXLI-UHFFFAOYSA-N 2 2 262.357 0.543 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC1CC[NH+](CCO)CC1 ZINC001225309962 805120162 /nfs/dbraw/zinc/12/01/62/805120162.db2.gz FOPKAUIQXNIYBO-UHFFFAOYSA-N 2 2 294.399 0.173 20 0 CCADLP C[C@@H](O)C[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001225677247 805150788 /nfs/dbraw/zinc/15/07/88/805150788.db2.gz SWJUJFCYHSWNBB-GFCCVEGCSA-N 2 2 280.372 0.092 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCO ZINC001229046520 805500165 /nfs/dbraw/zinc/50/01/65/805500165.db2.gz PSHPOWHQBOGQAK-IACUBPJLSA-N 2 2 294.399 0.598 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCO ZINC001229046520 805500172 /nfs/dbraw/zinc/50/01/72/805500172.db2.gz PSHPOWHQBOGQAK-IACUBPJLSA-N 2 2 294.399 0.598 20 0 CCADLP C[C@@H](CC(=O)NC1CC[NH+](CCO)CC1)n1cc[nH+]c1 ZINC001229393693 805528296 /nfs/dbraw/zinc/52/82/96/805528296.db2.gz URFASIVKUGCBDC-LBPRGKRZSA-N 2 2 280.372 0.407 20 0 CCADLP COC(=O)[C@H](CCCC[NH3+])[NH2+]C[C@@H](O)C(C)(C)C ZINC001245979672 807105502 /nfs/dbraw/zinc/10/55/02/807105502.db2.gz XFKJRBCKVHWIHA-WDEREUQCSA-N 2 2 260.378 0.654 20 0 CCADLP OCCc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC001245985214 807107180 /nfs/dbraw/zinc/10/71/80/807107180.db2.gz ZZWVWACFBCLEFW-CABCVRRESA-N 2 2 294.395 0.303 20 0 CCADLP [NH3+][C@]12CC[C@@H]1C[N@H+](C[C@H](O)COCc1ccccc1)C2 ZINC001246045966 807132205 /nfs/dbraw/zinc/13/22/05/807132205.db2.gz MBLLKYRHOJWZAV-PMPSAXMXSA-N 2 2 276.380 0.987 20 0 CCADLP [NH3+][C@]12CC[C@@H]1C[N@@H+](C[C@H](O)COCc1ccccc1)C2 ZINC001246045966 807132210 /nfs/dbraw/zinc/13/22/10/807132210.db2.gz MBLLKYRHOJWZAV-PMPSAXMXSA-N 2 2 276.380 0.987 20 0 CCADLP C([NH2+][C@@H]1CCCOC1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246126370 807161566 /nfs/dbraw/zinc/16/15/66/807161566.db2.gz LGHDRYDVQFWITN-QWHCGFSZSA-N 3 2 253.390 0.629 20 0 CCADLP O=C(NCC[NH2+][C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC001246242920 807196914 /nfs/dbraw/zinc/19/69/14/807196914.db2.gz JSCNPXFGSQHTIJ-ZDUSSCGKSA-N 2 2 265.332 0.897 20 0 CCADLP CCOC(=O)C1([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)CCC1 ZINC001246282482 807207421 /nfs/dbraw/zinc/20/74/21/807207421.db2.gz WVRREMCDZRGKGY-NSHDSACASA-N 2 2 267.373 0.156 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](NC[C@H]([NH3+])c2ccccc2)C[NH2+]1 ZINC001246295959 807210634 /nfs/dbraw/zinc/21/06/34/807210634.db2.gz ZNDKLZLMLVPYQU-AGIUHOORSA-N 2 2 263.341 0.180 20 0 CCADLP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246299669 807211764 /nfs/dbraw/zinc/21/17/64/807211764.db2.gz MTIVKUPCBDRRDU-KQTLUZQSSA-N 3 2 295.427 0.649 20 0 CCADLP OC[C@H]1C[NH2+]C[C@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC001246302031 807214091 /nfs/dbraw/zinc/21/40/91/807214091.db2.gz ZVSHRALLNBIAOE-CZUORRHYSA-N 2 2 275.396 0.825 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N[C@H]2CC[NH2+]C[C@H]2C(F)(F)F)C[NH2+]1 ZINC001246339842 807225888 /nfs/dbraw/zinc/22/58/88/807225888.db2.gz FMPOIKRUJSVKAT-JXUBOQSCSA-N 2 2 295.305 0.020 20 0 CCADLP CC[C@@]1(C(=O)OC)C[C@@H](NC[C@H]2C[NH2+]CC(C)(C)O2)C[NH2+]1 ZINC001246414903 807247706 /nfs/dbraw/zinc/24/77/06/807247706.db2.gz UZFBTZOKDPOHDP-JMSVASOKSA-N 2 2 299.415 0.027 20 0 CCADLP CCOC(=O)[C@@H]([NH3+])Cc1cn([C@H]2CCC[NH2+]C2)cn1 ZINC001246524029 807273969 /nfs/dbraw/zinc/27/39/69/807273969.db2.gz OEPGHVXBAYBAFM-RYUDHWBXSA-N 2 2 266.345 0.241 20 0 CCADLP CC(=O)N1CC[C@H]([N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)C1 ZINC001246561193 807290824 /nfs/dbraw/zinc/29/08/24/807290824.db2.gz VXNRIRHWDCJENK-QWRGUYRKSA-N 2 2 261.316 0.523 20 0 CCADLP CC(=O)N1CC[C@H]([N@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)C1 ZINC001246561193 807290845 /nfs/dbraw/zinc/29/08/45/807290845.db2.gz VXNRIRHWDCJENK-QWRGUYRKSA-N 2 2 261.316 0.523 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C[C@H]1O ZINC001246579770 807300685 /nfs/dbraw/zinc/30/06/85/807300685.db2.gz GVISXHURFQWGEZ-XUWVNRHRSA-N 3 2 275.396 0.731 20 0 CCADLP [NH3+]C[C@H]1C[N@H+]([C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C[C@H]1O ZINC001246579770 807300695 /nfs/dbraw/zinc/30/06/95/807300695.db2.gz GVISXHURFQWGEZ-XUWVNRHRSA-N 3 2 275.396 0.731 20 0 CCADLP CCOC(=O)C1=C(O)CC[N@@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246597209 807315006 /nfs/dbraw/zinc/31/50/06/807315006.db2.gz SOPRXWMVVNGWMM-UTUOFQBUSA-N 2 2 268.357 0.581 20 0 CCADLP CCOC(=O)C1=C(O)CC[N@H+]([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246597209 807315014 /nfs/dbraw/zinc/31/50/14/807315014.db2.gz SOPRXWMVVNGWMM-UTUOFQBUSA-N 2 2 268.357 0.581 20 0 CCADLP CC[C@@H]1C[C@H]([N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)C[C@H](CC)[NH2+]1 ZINC001246646308 807344205 /nfs/dbraw/zinc/34/42/05/807344205.db2.gz XAPUFYVHFMIVHG-JJXSEGSLSA-N 3 2 280.460 0.933 20 0 CCADLP CC[C@@H]1C[C@H]([N@H+]2CCN[C@]3(CC[NH2+]C3)C2)C[C@H](CC)[NH2+]1 ZINC001246646308 807344213 /nfs/dbraw/zinc/34/42/13/807344213.db2.gz XAPUFYVHFMIVHG-JJXSEGSLSA-N 3 2 280.460 0.933 20 0 CCADLP C[C@@H]1C[C@H]([N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@@H]32)CC[NH2+]1 ZINC001246652785 807347962 /nfs/dbraw/zinc/34/79/62/807347962.db2.gz HPIJQXYZOGHPOW-XGFWRYKXSA-N 2 2 254.374 0.599 20 0 CCADLP C[C@@H]1C[C@H]([N@H+]2CCO[C@@H]3C[C@H](CO)C[C@@H]32)CC[NH2+]1 ZINC001246652785 807347972 /nfs/dbraw/zinc/34/79/72/807347972.db2.gz HPIJQXYZOGHPOW-XGFWRYKXSA-N 2 2 254.374 0.599 20 0 CCADLP COCCN1CCC2(CC[NH+]([C@H]3CCC[NH2+]C3)CC2)C1=O ZINC001246747281 807370901 /nfs/dbraw/zinc/37/09/01/807370901.db2.gz UALIUPHYWDROSH-AWEZNQCLSA-N 2 2 295.427 0.699 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N2CCC[C@@H]2C[NH+]2CCCC2)C[NH2+]1 ZINC001246803734 807389030 /nfs/dbraw/zinc/38/90/30/807389030.db2.gz CRNNBKGFTWDIOF-MCIONIFRSA-N 2 2 281.400 0.450 20 0 CCADLP O=C1OC[C@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCN12 ZINC001246822299 807394366 /nfs/dbraw/zinc/39/43/66/807394366.db2.gz YHHFFLZGUPXTPL-AYLPWXGPSA-N 2 2 251.330 0.406 20 0 CCADLP O=C1OC[C@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CCN12 ZINC001246822299 807394370 /nfs/dbraw/zinc/39/43/70/807394370.db2.gz YHHFFLZGUPXTPL-AYLPWXGPSA-N 2 2 251.330 0.406 20 0 CCADLP COCCC[NH+](C1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001246837223 807400519 /nfs/dbraw/zinc/40/05/19/807400519.db2.gz RPDZZBIRXABCIG-UHFFFAOYSA-N 3 2 255.406 0.829 20 0 CCADLP C[C@@H]1C[C@@H](N2CC([N@@H+]3CCOC(C)(C)C3)C2)CC[NH2+]1 ZINC001246845887 807403236 /nfs/dbraw/zinc/40/32/36/807403236.db2.gz MXOZFCWMKSISMR-OLZOCXBDSA-N 2 2 267.417 0.922 20 0 CCADLP C[C@@H]1C[C@@H](N2CC([N@H+]3CCOC(C)(C)C3)C2)CC[NH2+]1 ZINC001246845887 807403242 /nfs/dbraw/zinc/40/32/42/807403242.db2.gz MXOZFCWMKSISMR-OLZOCXBDSA-N 2 2 267.417 0.922 20 0 CCADLP C[NH2+]Cc1cccc(N[C@H]2C[NH2+][C@H](C(=O)OC)C2)c1 ZINC001246849588 807404635 /nfs/dbraw/zinc/40/46/35/807404635.db2.gz GVXAFNZMOSRBFL-OLZOCXBDSA-N 2 2 263.341 0.721 20 0 CCADLP COC(=O)[C@@H]1COCCC12C[NH+]([C@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246854932 807408062 /nfs/dbraw/zinc/40/80/62/807408062.db2.gz RMNDWMZDGOTSGF-AGIUHOORSA-N 2 2 282.384 0.638 20 0 CCADLP COc1cccc(N2CC[NH+](C3CC[NH2+]CC3)CC2)n1 ZINC001246867755 807415208 /nfs/dbraw/zinc/41/52/08/807415208.db2.gz ZTUTYIXTWOSLPZ-UHFFFAOYSA-N 2 2 276.384 0.964 20 0 CCADLP C[C@H]1CC[C@@H]([NH+]2CCC3(CC2)CNC(=O)CO3)C[NH2+]1 ZINC001246880000 807419744 /nfs/dbraw/zinc/41/97/44/807419744.db2.gz OABFOEANSLOZPN-NWDGAFQWSA-N 2 2 267.373 0.108 20 0 CCADLP CN1CCC2(CC[NH+]([C@H]3CCC[NH2+]C3)CC2)C1=O ZINC001246893302 807420537 /nfs/dbraw/zinc/42/05/37/807420537.db2.gz IWYGZHZVYHRYDV-LBPRGKRZSA-N 2 2 251.374 0.683 20 0 CCADLP CS(=O)(=O)CCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168356162 815117038 /nfs/dbraw/zinc/11/70/38/815117038.db2.gz MIYBGJGCUXRGNH-UHFFFAOYSA-N 2 2 274.430 0.885 20 0 CCADLP OC[C@H]1CCn2nccc2C[N@@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246941979 807437176 /nfs/dbraw/zinc/43/71/76/807437176.db2.gz NKDFGXHYZHGVGT-ZDGFDOJISA-N 2 2 276.384 0.733 20 0 CCADLP OC[C@H]1CCn2nccc2C[N@H+]1C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246941979 807437179 /nfs/dbraw/zinc/43/71/79/807437179.db2.gz NKDFGXHYZHGVGT-ZDGFDOJISA-N 2 2 276.384 0.733 20 0 CCADLP CCC[N@H+]1C[C@@H]2C[NH+]([C@H]3CN[C@H](C(=O)OC)C3)C[C@@H]2C1 ZINC001246941390 807437721 /nfs/dbraw/zinc/43/77/21/807437721.db2.gz KGPKFNAGJFWGRD-RQJABVFESA-N 2 2 281.400 0.164 20 0 CCADLP CCC[N@@H+]1C[C@@H]2C[NH+]([C@H]3CN[C@H](C(=O)OC)C3)C[C@@H]2C1 ZINC001246941390 807437724 /nfs/dbraw/zinc/43/77/24/807437724.db2.gz KGPKFNAGJFWGRD-RQJABVFESA-N 2 2 281.400 0.164 20 0 CCADLP CCC[NH+]1C[C@@H]2C[N@H+]([C@H]3CN[C@H](C(=O)OC)C3)C[C@@H]2C1 ZINC001246941390 807437728 /nfs/dbraw/zinc/43/77/28/807437728.db2.gz KGPKFNAGJFWGRD-RQJABVFESA-N 2 2 281.400 0.164 20 0 CCADLP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H]3CN[C@H](C(=O)OC)C3)C[C@@H]2C1 ZINC001246941390 807437732 /nfs/dbraw/zinc/43/77/32/807437732.db2.gz KGPKFNAGJFWGRD-RQJABVFESA-N 2 2 281.400 0.164 20 0 CCADLP [NH3+]C[C@H]([NH3+])Cc1nc(-c2cccc(F)c2F)no1 ZINC001249130150 807544377 /nfs/dbraw/zinc/54/43/77/807544377.db2.gz UWKXGOBZUNPTNX-ZCFIWIBFSA-N 2 2 254.240 0.843 20 0 CCADLP CCOc1cc(-c2noc(C[C@@H]([NH3+])C[NH3+])n2)ccc1OC ZINC001249129665 807544862 /nfs/dbraw/zinc/54/48/62/807544862.db2.gz QWFNIIAFHMLGEX-SNVBAGLBSA-N 2 2 292.339 0.972 20 0 CCADLP C[C@@]1(C[NH2+]CCO)CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001278588606 807606773 /nfs/dbraw/zinc/60/67/73/807606773.db2.gz DXCUYOPFANDYOR-HNNXBMFYSA-N 2 2 294.399 0.484 20 0 CCADLP COCC[NH+]1CCC([NH2+]C[C@@H](O)C(F)(F)F)CC1 ZINC001250992742 807631646 /nfs/dbraw/zinc/63/16/46/807631646.db2.gz IMPKERXPIAFHTC-SNVBAGLBSA-N 2 2 270.295 0.610 20 0 CCADLP Cc1[nH+]c2ccccn2c1NC[C@H](O)C[NH+]1CCOCC1 ZINC001251006741 807638876 /nfs/dbraw/zinc/63/88/76/807638876.db2.gz KOUKXHWHUDJOED-ZDUSSCGKSA-N 2 2 290.367 0.748 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC001251705581 807695174 /nfs/dbraw/zinc/69/51/74/807695174.db2.gz SFJLIEIEXXVCKS-RYUDHWBXSA-N 2 2 266.345 0.281 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)[C@H](C)n2cc[nH+]c2)C1 ZINC001251705581 807695177 /nfs/dbraw/zinc/69/51/77/807695177.db2.gz SFJLIEIEXXVCKS-RYUDHWBXSA-N 2 2 266.345 0.281 20 0 CCADLP C[C@H](O)C[NH+]1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001251962568 807753530 /nfs/dbraw/zinc/75/35/30/807753530.db2.gz HPQBIGOHHBGTTO-ZDUSSCGKSA-N 2 2 291.399 0.580 20 0 CCADLP COC(=O)[C@H](O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC001252428514 807842822 /nfs/dbraw/zinc/84/28/22/807842822.db2.gz RBVNAFIYAMBROD-NWDGAFQWSA-N 2 2 266.297 0.069 20 0 CCADLP COC(=O)[C@H](O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC001252428514 807842830 /nfs/dbraw/zinc/84/28/30/807842830.db2.gz RBVNAFIYAMBROD-NWDGAFQWSA-N 2 2 266.297 0.069 20 0 CCADLP C[NH+]1CCN(C2C[NH+](C[C@@H](O)c3ccc(F)cc3)C2)CC1 ZINC001252848569 807977464 /nfs/dbraw/zinc/97/74/64/807977464.db2.gz PXWGSELZTXNPTH-MRXNPFEDSA-N 2 2 293.386 0.791 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)C ZINC001253185178 808021035 /nfs/dbraw/zinc/02/10/35/808021035.db2.gz DOJOCEQCVFQUFZ-KBXIAJHMSA-N 2 2 297.443 0.392 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)C ZINC001253185178 808021040 /nfs/dbraw/zinc/02/10/40/808021040.db2.gz DOJOCEQCVFQUFZ-KBXIAJHMSA-N 2 2 297.443 0.392 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC(C(C)(C)C(N)=O)CC1 ZINC001253188063 808023039 /nfs/dbraw/zinc/02/30/39/808023039.db2.gz OLNYDVLAXWMVJW-CQSZACIVSA-N 2 2 299.459 0.913 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001253187648 808023243 /nfs/dbraw/zinc/02/32/43/808023243.db2.gz GQHLWKPDMPTUNU-KBPBESRZSA-N 2 2 256.390 0.944 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@]2(CCO2)C1 ZINC001253187648 808023250 /nfs/dbraw/zinc/02/32/50/808023250.db2.gz GQHLWKPDMPTUNU-KBPBESRZSA-N 2 2 256.390 0.944 20 0 CCADLP CC[NH+](CC)C[C@@H](O)CN1CC([N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001253192678 808026925 /nfs/dbraw/zinc/02/69/25/808026925.db2.gz WREXBURTXZSJLT-IJEWVQPXSA-N 2 2 299.459 0.483 20 0 CCADLP CC[NH+](CC)C[C@@H](O)CN1CC([N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001253192678 808026929 /nfs/dbraw/zinc/02/69/29/808026929.db2.gz WREXBURTXZSJLT-IJEWVQPXSA-N 2 2 299.459 0.483 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]C1(C(N)=O)CCCCCC1 ZINC001253204700 808030630 /nfs/dbraw/zinc/03/06/30/808030630.db2.gz UMTPFESNSCCFCW-CYBMUJFWSA-N 2 2 285.432 0.857 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]CC1(F)CCOCC1 ZINC001253206555 808031390 /nfs/dbraw/zinc/03/13/90/808031390.db2.gz PQIUFHHALUOSFQ-GFCCVEGCSA-N 2 2 262.369 0.797 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+]C[C@H](O)c1ccccn1 ZINC001253209289 808032585 /nfs/dbraw/zinc/03/25/85/808032585.db2.gz DNPSGTKOYVINSB-JSGCOSHPSA-N 2 2 267.373 0.407 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@@H](CO)[C@@H](O)c1ccccc1 ZINC001253406209 808060634 /nfs/dbraw/zinc/06/06/34/808060634.db2.gz CTZDSAWYROQKFB-KKUMJFAQSA-N 2 2 296.411 0.420 20 0 CCADLP CN(C[C@@H](O)C[NH2+]CCCF)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001278768121 808195960 /nfs/dbraw/zinc/19/59/60/808195960.db2.gz OKUGUFCRDXOJIQ-QJPTWQEYSA-N 2 2 298.362 0.282 20 0 CCADLP CN(C[C@@H](O)C[NH2+]CCCF)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001278768121 808195965 /nfs/dbraw/zinc/19/59/65/808195965.db2.gz OKUGUFCRDXOJIQ-QJPTWQEYSA-N 2 2 298.362 0.282 20 0 CCADLP CC(C)(C)OC(=O)N1C[C@@H]([NH2+][C@H]2CCCOC2)[C@@H]([NH3+])C1 ZINC001254364105 808223601 /nfs/dbraw/zinc/22/36/01/808223601.db2.gz OEHISBGCLIHSKN-SDDRHHMPSA-N 2 2 285.388 0.702 20 0 CCADLP COC(=O)CCC(=O)C[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC001254504056 808246270 /nfs/dbraw/zinc/24/62/70/808246270.db2.gz RTZBQIBSWHCMGC-LLVKDONJSA-N 2 2 256.346 0.583 20 0 CCADLP COC(=O)CCC(=O)C[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254504056 808246275 /nfs/dbraw/zinc/24/62/75/808246275.db2.gz RTZBQIBSWHCMGC-LLVKDONJSA-N 2 2 256.346 0.583 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])N[C@@H]2CCC[N@H+](C)CC2)CC1 ZINC001254502464 808246866 /nfs/dbraw/zinc/24/68/66/808246866.db2.gz DVXLODNIYLJQGW-GFCCVEGCSA-N 3 2 253.394 0.242 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])N[C@@H]2CCC[N@@H+](C)CC2)CC1 ZINC001254502464 808246871 /nfs/dbraw/zinc/24/68/71/808246871.db2.gz DVXLODNIYLJQGW-GFCCVEGCSA-N 3 2 253.394 0.242 20 0 CCADLP C[C@H](F)CC[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001278811195 808278723 /nfs/dbraw/zinc/27/87/23/808278723.db2.gz RCLRXTWRQDRHBZ-CMPLNLGQSA-N 2 2 286.351 0.109 20 0 CCADLP CC(=O)N1CC[C@H]([NH2+][C@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254849002 808287375 /nfs/dbraw/zinc/28/73/75/808287375.db2.gz QJQZBUMOOVLTQS-KBPBESRZSA-N 2 2 251.374 0.681 20 0 CCADLP O=C1NCC2(CC[NH+]([C@@H]3CC4CC[NH+](CC4)C3)CC2)N1 ZINC001254869835 808291495 /nfs/dbraw/zinc/29/14/95/808291495.db2.gz YWHSZIWUCRDROI-CYBMUJFWSA-N 2 2 278.400 0.618 20 0 CCADLP OC[C@@H]1CC[N@@H+](C2CC[NH+](C3CC3)CC2)C[C@H]1O ZINC001256072792 808467533 /nfs/dbraw/zinc/46/75/33/808467533.db2.gz HWTVLHYGGZJGSL-SMDDNHRTSA-N 2 2 254.374 0.288 20 0 CCADLP OC[C@@H]1CC[N@H+](C2CC[NH+](C3CC3)CC2)C[C@H]1O ZINC001256072792 808467541 /nfs/dbraw/zinc/46/75/41/808467541.db2.gz HWTVLHYGGZJGSL-SMDDNHRTSA-N 2 2 254.374 0.288 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H]2CC3CC[NH+]2CC3)CC1 ZINC001142628502 815208643 /nfs/dbraw/zinc/20/86/43/815208643.db2.gz JHJJPWNUCNVKOM-AWEZNQCLSA-N 2 2 281.400 0.261 20 0 CCADLP CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C1CC[NH+](C)CC1 ZINC001256207359 808479457 /nfs/dbraw/zinc/47/94/57/808479457.db2.gz JMACKTNTLLDTBN-CHWSQXEVSA-N 2 2 251.374 0.776 20 0 CCADLP CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C1CC[NH+](C)CC1 ZINC001256207359 808479461 /nfs/dbraw/zinc/47/94/61/808479461.db2.gz JMACKTNTLLDTBN-CHWSQXEVSA-N 2 2 251.374 0.776 20 0 CCADLP COC(=O)CO[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001256214337 808481006 /nfs/dbraw/zinc/48/10/06/808481006.db2.gz IIWZPLIKNCREGG-LBPRGKRZSA-N 2 2 256.346 0.345 20 0 CCADLP COC(=O)CO[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001256214337 808481008 /nfs/dbraw/zinc/48/10/08/808481008.db2.gz IIWZPLIKNCREGG-LBPRGKRZSA-N 2 2 256.346 0.345 20 0 CCADLP C[NH+]1CC2(C1)CC[NH+](C1CCS(=O)(=O)CC1)CC2 ZINC001256391805 808523003 /nfs/dbraw/zinc/52/30/03/808523003.db2.gz KKUJDMZIEXGVNW-UHFFFAOYSA-N 2 2 272.414 0.591 20 0 CCADLP CN1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1=O ZINC001256627980 808541812 /nfs/dbraw/zinc/54/18/12/808541812.db2.gz NBYCUFJTOCFWDR-FUNVUKJBSA-N 2 2 251.374 0.776 20 0 CCADLP CN1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1=O ZINC001256627980 808541819 /nfs/dbraw/zinc/54/18/19/808541819.db2.gz NBYCUFJTOCFWDR-FUNVUKJBSA-N 2 2 251.374 0.776 20 0 CCADLP CN1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1=O ZINC001256627980 808541825 /nfs/dbraw/zinc/54/18/25/808541825.db2.gz NBYCUFJTOCFWDR-FUNVUKJBSA-N 2 2 251.374 0.776 20 0 CCADLP CN1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1=O ZINC001256627980 808541829 /nfs/dbraw/zinc/54/18/29/808541829.db2.gz NBYCUFJTOCFWDR-FUNVUKJBSA-N 2 2 251.374 0.776 20 0 CCADLP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](CO)C(=O)OC ZINC001258897667 808705241 /nfs/dbraw/zinc/70/52/41/808705241.db2.gz AUHCDIUMULZLHM-VXGBXAGGSA-N 2 2 260.378 0.620 20 0 CCADLP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC001261507094 809003538 /nfs/dbraw/zinc/00/35/38/809003538.db2.gz OIVPDRJLBNWMPY-SECBINFHSA-N 2 2 260.345 0.828 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001262094739 809188893 /nfs/dbraw/zinc/18/88/93/809188893.db2.gz YRPWVMCEVJYGTA-ZJUUUORDSA-N 2 2 251.334 0.489 20 0 CCADLP C[C@@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1cc(CO)on1 ZINC001262197334 809236459 /nfs/dbraw/zinc/23/64/59/809236459.db2.gz LAWODGZMRYAXAZ-CYBMUJFWSA-N 2 2 296.415 0.845 20 0 CCADLP O[C@H]1CCOC2(CC[NH+](CCn3cc[nH+]c3)CC2)C1 ZINC001262319376 809274756 /nfs/dbraw/zinc/27/47/56/809274756.db2.gz GMGPJMDWHPNHER-ZDUSSCGKSA-N 2 2 265.357 0.889 20 0 CCADLP CCCC[N@H+](C)CCNC(=O)C[C@@H]([NH3+])C(F)F ZINC001263098842 809442913 /nfs/dbraw/zinc/44/29/13/809442913.db2.gz PXCNVQUAULNNAU-SECBINFHSA-N 2 2 251.321 0.817 20 0 CCADLP CCCC[N@@H+](C)CCNC(=O)C[C@@H]([NH3+])C(F)F ZINC001263098842 809442919 /nfs/dbraw/zinc/44/29/19/809442919.db2.gz PXCNVQUAULNNAU-SECBINFHSA-N 2 2 251.321 0.817 20 0 CCADLP COCCN(CC[NH+](C)C)C(=O)C[C@@H]([NH3+])C(F)F ZINC001263112845 809451039 /nfs/dbraw/zinc/45/10/39/809451039.db2.gz SBNWXYKCGXRZTA-SECBINFHSA-N 2 2 267.320 0.006 20 0 CCADLP CC(C)(C(=O)N1CCCO[C@@H](C[NH3+])C1)c1c[nH+]c[nH]1 ZINC001263128660 809454313 /nfs/dbraw/zinc/45/43/13/809454313.db2.gz QWRPZFSBJXHYEO-JTQLQIEISA-N 2 2 266.345 0.264 20 0 CCADLP C[NH2+]CCCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001263128882 809454493 /nfs/dbraw/zinc/45/44/93/809454493.db2.gz WEGQEIGKEJPTOK-LLVKDONJSA-N 2 2 250.346 0.513 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC001263194504 809476536 /nfs/dbraw/zinc/47/65/36/809476536.db2.gz MTWGPYYQGMTWDL-KOLCDFICSA-N 2 2 250.346 0.784 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC001263194504 809476542 /nfs/dbraw/zinc/47/65/42/809476542.db2.gz MTWGPYYQGMTWDL-KOLCDFICSA-N 2 2 250.346 0.784 20 0 CCADLP CCOCC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001264155436 809635023 /nfs/dbraw/zinc/63/50/23/809635023.db2.gz URWRAFUCTACKAP-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP CCOCC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001264155436 809635028 /nfs/dbraw/zinc/63/50/28/809635028.db2.gz URWRAFUCTACKAP-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP COC[C@@H](C)[NH2+][C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001265829717 809867032 /nfs/dbraw/zinc/86/70/32/809867032.db2.gz GQMOZYGQXKJNBZ-NXEZZACHSA-N 2 2 254.334 0.081 20 0 CCADLP C[C@@H](O)CCC[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001265872588 809881299 /nfs/dbraw/zinc/88/12/99/809881299.db2.gz BXNFXXNTVBHPCT-VXGBXAGGSA-N 2 2 268.361 0.138 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH+]1CCC(NC(=O)NC)CC1 ZINC000702145207 809883429 /nfs/dbraw/zinc/88/34/29/809883429.db2.gz QJNNVZFBFZKEQI-ZDUSSCGKSA-N 2 2 286.420 0.083 20 0 CCADLP CCOCC[N@H+](C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001266113729 809937902 /nfs/dbraw/zinc/93/79/02/809937902.db2.gz SAAWLORUCPDZRK-CYBMUJFWSA-N 2 2 294.399 0.912 20 0 CCADLP CCOCC[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001266113729 809937907 /nfs/dbraw/zinc/93/79/07/809937907.db2.gz SAAWLORUCPDZRK-CYBMUJFWSA-N 2 2 294.399 0.912 20 0 CCADLP CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000724878540 811094727 /nfs/dbraw/zinc/09/47/27/811094727.db2.gz SZCZWFNSQKJUJF-UMSGYPCISA-N 2 2 258.362 0.147 20 0 CCADLP CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000724878542 811096153 /nfs/dbraw/zinc/09/61/53/811096153.db2.gz SZCZWFNSQKJUJF-YVECIDJPSA-N 2 2 258.362 0.147 20 0 CCADLP Cc1ncc(C[NH3+])c(=N)n1-c1cccn2cc[nH+]c12 ZINC001167674651 811193758 /nfs/dbraw/zinc/19/37/58/811193758.db2.gz UNQHQBBVGQOEGC-UHFFFAOYSA-N 2 2 254.297 0.767 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[NH2+]CCCO ZINC001267439901 811307718 /nfs/dbraw/zinc/30/77/18/811307718.db2.gz YWYOZNVWSITSFU-NSHDSACASA-N 2 2 268.361 0.019 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[NH2+]CCCO ZINC001267439901 811307731 /nfs/dbraw/zinc/30/77/31/811307731.db2.gz YWYOZNVWSITSFU-NSHDSACASA-N 2 2 268.361 0.019 20 0 CCADLP CC[C@H](C(=O)NC1C[NH+]([C@@H](C)COC)C1)[NH+](C)C ZINC001267651217 811618527 /nfs/dbraw/zinc/61/85/27/811618527.db2.gz XEPBMQCZQRGCHS-CMPLNLGQSA-N 2 2 257.378 0.162 20 0 CCADLP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001077233248 815464761 /nfs/dbraw/zinc/46/47/61/815464761.db2.gz RCRLSXVLPBCERN-CHWSQXEVSA-N 2 2 274.324 0.358 20 0 CCADLP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001077233248 815464763 /nfs/dbraw/zinc/46/47/63/815464763.db2.gz RCRLSXVLPBCERN-CHWSQXEVSA-N 2 2 274.324 0.358 20 0 CCADLP NC(=[NH2+])N(CCCC[NH3+])C(=O)[C@H]([NH3+])c1ccccc1 ZINC001220101608 811716313 /nfs/dbraw/zinc/71/63/13/811716313.db2.gz UOGYEQPQVDPUAA-LLVKDONJSA-N 3 2 263.345 0.147 20 0 CCADLP C[C@@H](O)C[NH2+]CC1(CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001167737216 811764596 /nfs/dbraw/zinc/76/45/96/811764596.db2.gz ORBACZXPOAZEMP-GFCCVEGCSA-N 2 2 294.399 0.220 20 0 CCADLP CC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000721706602 811866224 /nfs/dbraw/zinc/86/62/24/811866224.db2.gz VWBFJUDMJOHZQT-VXGBXAGGSA-N 2 2 250.346 0.920 20 0 CCADLP CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001267953841 811892030 /nfs/dbraw/zinc/89/20/30/811892030.db2.gz UDVGVKASQKLPCK-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001267953841 811892036 /nfs/dbraw/zinc/89/20/36/811892036.db2.gz UDVGVKASQKLPCK-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP CC(C)OCC[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001268085529 812217866 /nfs/dbraw/zinc/21/78/66/812217866.db2.gz NCDLTZPTJICLBW-LBPRGKRZSA-N 2 2 282.388 0.814 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC/C=C/C[NH2+]CC[C@@H]1CCCO1 ZINC001268632579 812954966 /nfs/dbraw/zinc/95/49/66/812954966.db2.gz HQPXXBHMCCCTTI-YUKKFKLSSA-N 2 2 292.383 0.714 20 0 CCADLP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1cnon1)[NH+](C)C ZINC001268711344 813028083 /nfs/dbraw/zinc/02/80/83/813028083.db2.gz FLRCCGPOFSXOQZ-ONGXEEELSA-N 2 2 269.349 0.004 20 0 CCADLP COCC[N@H+](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001268753431 813066816 /nfs/dbraw/zinc/06/68/16/813066816.db2.gz UTFYCSFXYSAAQK-LLVKDONJSA-N 2 2 268.361 0.046 20 0 CCADLP COCC[N@@H+](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001268753431 813066825 /nfs/dbraw/zinc/06/68/25/813066825.db2.gz UTFYCSFXYSAAQK-LLVKDONJSA-N 2 2 268.361 0.046 20 0 CCADLP CCCC[N@H+](C)CCN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000348518804 815580690 /nfs/dbraw/zinc/58/06/90/815580690.db2.gz YDFBDWWTVBJVJR-LBPRGKRZSA-N 2 2 293.371 0.605 20 0 CCADLP CCCC[N@@H+](C)CCN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000348518804 815580693 /nfs/dbraw/zinc/58/06/93/815580693.db2.gz YDFBDWWTVBJVJR-LBPRGKRZSA-N 2 2 293.371 0.605 20 0 CCADLP CCCC[N@H+](C)CCN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000348518804 815580696 /nfs/dbraw/zinc/58/06/96/815580696.db2.gz YDFBDWWTVBJVJR-LBPRGKRZSA-N 2 2 293.371 0.605 20 0 CCADLP CCCC[N@@H+](C)CCN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000348518804 815580701 /nfs/dbraw/zinc/58/07/01/815580701.db2.gz YDFBDWWTVBJVJR-LBPRGKRZSA-N 2 2 293.371 0.605 20 0 CCADLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H](C)COC ZINC001269476810 813385028 /nfs/dbraw/zinc/38/50/28/813385028.db2.gz HRFGGECUKGTBGG-GHMZBOCLSA-N 2 2 268.361 0.472 20 0 CCADLP CCOCC[NH+]1CC(N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001269805896 813514590 /nfs/dbraw/zinc/51/45/90/813514590.db2.gz SMTRSAYPZQFDLZ-CYBMUJFWSA-N 2 2 271.405 0.506 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)CCc1[nH]cc[nH+]1)c1cnccn1 ZINC001126436776 813584358 /nfs/dbraw/zinc/58/43/58/813584358.db2.gz LNYIVKMYQAZLAD-NSHDSACASA-N 2 2 288.355 0.599 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]C[C@@H]1C[C@@]12CCOC2 ZINC001126447276 813629476 /nfs/dbraw/zinc/62/94/76/813629476.db2.gz BTVFNZQYMBEREW-SWLSCSKDSA-N 2 2 292.383 0.475 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]1C[NH2+]CCCF ZINC001270165322 813659088 /nfs/dbraw/zinc/65/90/88/813659088.db2.gz LAEJKGLMNGLKGE-LBPRGKRZSA-N 2 2 282.363 0.903 20 0 CCADLP [NH3+]CCN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167964879 813793916 /nfs/dbraw/zinc/79/39/16/813793916.db2.gz ZMAZQXCQZBTYSK-SJPCQFCGSA-N 3 2 292.471 0.968 20 0 CCADLP [NH3+]CCN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167964879 813793918 /nfs/dbraw/zinc/79/39/18/813793918.db2.gz ZMAZQXCQZBTYSK-SJPCQFCGSA-N 3 2 292.471 0.968 20 0 CCADLP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@]2(C1)C[N@H+](C)CCO2 ZINC001270618254 813840110 /nfs/dbraw/zinc/84/01/10/813840110.db2.gz WFAHKQIXNMHLGT-ZBFHGGJFSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@]2(C1)C[N@@H+](C)CCO2 ZINC001270618254 813840120 /nfs/dbraw/zinc/84/01/20/813840120.db2.gz WFAHKQIXNMHLGT-ZBFHGGJFSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+]1CCO[C@@]2(CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)C1 ZINC001270618254 813840130 /nfs/dbraw/zinc/84/01/30/813840130.db2.gz WFAHKQIXNMHLGT-ZBFHGGJFSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+]1CCO[C@@]2(CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)C1 ZINC001270618254 813840139 /nfs/dbraw/zinc/84/01/39/813840139.db2.gz WFAHKQIXNMHLGT-ZBFHGGJFSA-N 2 2 295.427 0.794 20 0 CCADLP COC[C@H](C)[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001167976776 813880112 /nfs/dbraw/zinc/88/01/12/813880112.db2.gz DZVJXHNMOUZIEE-RYUDHWBXSA-N 2 2 282.388 0.719 20 0 CCADLP COC[C@H](C)[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001167976776 813880124 /nfs/dbraw/zinc/88/01/24/813880124.db2.gz DZVJXHNMOUZIEE-RYUDHWBXSA-N 2 2 282.388 0.719 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[N@@H+]1CCO ZINC001087810892 814218027 /nfs/dbraw/zinc/21/80/27/814218027.db2.gz QZJGIJGZRXWWAE-WCQYABFASA-N 2 2 280.372 0.222 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[N@H+]1CCO ZINC001087810892 814218037 /nfs/dbraw/zinc/21/80/37/814218037.db2.gz QZJGIJGZRXWWAE-WCQYABFASA-N 2 2 280.372 0.222 20 0 CCADLP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CN(Cc2c[nH+]cn2C)C1 ZINC001042546224 814416712 /nfs/dbraw/zinc/41/67/12/814416712.db2.gz UOFLYORZWYJUIV-AWEZNQCLSA-N 2 2 291.399 0.157 20 0 CCADLP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1CN(Cc2c[nH+]cn2C)C1 ZINC001042546224 814416715 /nfs/dbraw/zinc/41/67/15/814416715.db2.gz UOFLYORZWYJUIV-AWEZNQCLSA-N 2 2 291.399 0.157 20 0 CCADLP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1C[NH+](C[C@@H]2CCCCO2)C1 ZINC001042547024 814419056 /nfs/dbraw/zinc/41/90/56/814419056.db2.gz JHUPZVJQPGOWCN-GJZGRUSLSA-N 2 2 295.427 0.792 20 0 CCADLP CN(C(=O)[C@@H]1CCC[N@H+]1C)C1C[NH+](C[C@@H]2CCCCO2)C1 ZINC001042547024 814419059 /nfs/dbraw/zinc/41/90/59/814419059.db2.gz JHUPZVJQPGOWCN-GJZGRUSLSA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CCC[C@@]2(C1)C[NH+](C)CCO2 ZINC001271927818 814633157 /nfs/dbraw/zinc/63/31/57/814633157.db2.gz RYNRPIGIYVNJHK-HOCLYGCPSA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)[N@H+]1CC[C@H]1C(=O)N1CCC[C@@]2(C1)C[NH+](C)CCO2 ZINC001271927818 814633160 /nfs/dbraw/zinc/63/31/60/814633160.db2.gz RYNRPIGIYVNJHK-HOCLYGCPSA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)[NH+]1CC[C@H]1C(=O)N1CCC[C@@]2(C1)C[N@H+](C)CCO2 ZINC001271927818 814633165 /nfs/dbraw/zinc/63/31/65/814633165.db2.gz RYNRPIGIYVNJHK-HOCLYGCPSA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)[NH+]1CC[C@H]1C(=O)N1CCC[C@@]2(C1)C[N@@H+](C)CCO2 ZINC001271927818 814633171 /nfs/dbraw/zinc/63/31/71/814633171.db2.gz RYNRPIGIYVNJHK-HOCLYGCPSA-N 2 2 295.427 0.792 20 0 CCADLP COCC[NH+]1CC(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001030442629 816041966 /nfs/dbraw/zinc/04/19/66/816041966.db2.gz ZXPMIDDTQNWALW-AWEZNQCLSA-N 2 2 283.416 0.696 20 0 CCADLP COCC[NH+]1CC(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001030442629 816041974 /nfs/dbraw/zinc/04/19/74/816041974.db2.gz ZXPMIDDTQNWALW-AWEZNQCLSA-N 2 2 283.416 0.696 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001030594831 816132245 /nfs/dbraw/zinc/13/22/45/816132245.db2.gz RIEVATVMHSPVSW-DZGCQCFKSA-N 2 2 297.443 0.942 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001030594831 816132250 /nfs/dbraw/zinc/13/22/50/816132250.db2.gz RIEVATVMHSPVSW-DZGCQCFKSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@H](Nc1nccnc1C[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC001120812337 816228182 /nfs/dbraw/zinc/22/81/82/816228182.db2.gz RTTCPUVACOWDBB-QWRGUYRKSA-N 2 2 265.361 0.456 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001030737685 816257900 /nfs/dbraw/zinc/25/79/00/816257900.db2.gz GVTOHRNJYROHJX-WFASDCNBSA-N 2 2 295.427 0.696 20 0 CCADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cc[nH+]c(N)c1 ZINC001272304300 816290138 /nfs/dbraw/zinc/29/01/38/816290138.db2.gz PAFIUWOATZBUON-YHWZYXNKSA-N 2 2 274.368 0.948 20 0 CCADLP CCCC[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001030839711 816333054 /nfs/dbraw/zinc/33/30/54/816333054.db2.gz QXKPPXHZVQRHOQ-CQSZACIVSA-N 2 2 283.416 0.696 20 0 CCADLP CCCC[NH+]1CC(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001030839711 816333061 /nfs/dbraw/zinc/33/30/61/816333061.db2.gz QXKPPXHZVQRHOQ-CQSZACIVSA-N 2 2 283.416 0.696 20 0 CCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC1C[NH+](CC3CC3)C1)CC2 ZINC001030855060 816348471 /nfs/dbraw/zinc/34/84/71/816348471.db2.gz YRCPDNRJTUBJCN-ZDUSSCGKSA-N 2 2 288.395 0.964 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001030960334 816505739 /nfs/dbraw/zinc/50/57/39/816505739.db2.gz RGXLFCXLYLVTDQ-VXGBXAGGSA-N 2 2 269.389 0.164 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001030960334 816505743 /nfs/dbraw/zinc/50/57/43/816505743.db2.gz RGXLFCXLYLVTDQ-VXGBXAGGSA-N 2 2 269.389 0.164 20 0 CCADLP CC1(C)CC[N@H+](CC(=O)NC2C[NH+](CCCF)C2)C1 ZINC001030964650 816511580 /nfs/dbraw/zinc/51/15/80/816511580.db2.gz OXWBBDDRIYRCRF-UHFFFAOYSA-N 2 2 271.380 0.878 20 0 CCADLP CC1(C)CC[N@@H+](CC(=O)NC2C[NH+](CCCF)C2)C1 ZINC001030964650 816511587 /nfs/dbraw/zinc/51/15/87/816511587.db2.gz OXWBBDDRIYRCRF-UHFFFAOYSA-N 2 2 271.380 0.878 20 0 CCADLP O=C(NCC1=CC[NH2+]CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001122015266 816535228 /nfs/dbraw/zinc/53/52/28/816535228.db2.gz MKLJJNRNBNRVHD-LBPRGKRZSA-N 2 2 260.341 0.481 20 0 CCADLP Cn1c[nH+]cc1CN1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001038095664 816618050 /nfs/dbraw/zinc/61/80/50/816618050.db2.gz MKUCWGKDQFGDGB-JSGCOSHPSA-N 2 2 291.399 0.205 20 0 CCADLP Cn1c[nH+]cc1CN1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001038095664 816618054 /nfs/dbraw/zinc/61/80/54/816618054.db2.gz MKUCWGKDQFGDGB-JSGCOSHPSA-N 2 2 291.399 0.205 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)NCC[NH2+]C[C@@H](C)O)ccn12 ZINC001127293566 816646172 /nfs/dbraw/zinc/64/61/72/816646172.db2.gz WSCYNKWZOGUBST-LLVKDONJSA-N 2 2 276.340 0.343 20 0 CCADLP CCC[NH+]1CC(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001031142459 816696422 /nfs/dbraw/zinc/69/64/22/816696422.db2.gz ZTISWTKFEUMQEC-UHFFFAOYSA-N 2 2 253.390 0.929 20 0 CCADLP COc1cccc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1 ZINC001235055173 816798794 /nfs/dbraw/zinc/79/87/94/816798794.db2.gz ZURQORIYWKCYDU-HNNXBMFYSA-N 2 2 261.369 0.833 20 0 CCADLP COc1cccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1 ZINC001235055173 816798798 /nfs/dbraw/zinc/79/87/98/816798798.db2.gz ZURQORIYWKCYDU-HNNXBMFYSA-N 2 2 261.369 0.833 20 0 CCADLP O=C1CCC[C@@]2(C[NH2+]CC[N@@H+](CCCCCO)C2)N1 ZINC001235173619 816829632 /nfs/dbraw/zinc/82/96/32/816829632.db2.gz DHEILVTZLUWHEG-AWEZNQCLSA-N 2 2 269.389 0.093 20 0 CCADLP O=C1CCC[C@@]2(C[NH2+]CC[N@H+](CCCCCO)C2)N1 ZINC001235173619 816829637 /nfs/dbraw/zinc/82/96/37/816829637.db2.gz DHEILVTZLUWHEG-AWEZNQCLSA-N 2 2 269.389 0.093 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC1C[NH+](CC2CCC2)C1 ZINC001031314126 816964523 /nfs/dbraw/zinc/96/45/23/816964523.db2.gz JPLJHLDRLTWTQA-UHFFFAOYSA-N 2 2 262.357 0.861 20 0 CCADLP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1ccc(OCCO)cc1)C2 ZINC001235993884 816982675 /nfs/dbraw/zinc/98/26/75/816982675.db2.gz OVMBPRXFYREPAX-HIFRSBDPSA-N 2 2 262.353 0.981 20 0 CCADLP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1ccc(OCCO)cc1)C2 ZINC001235993884 816982680 /nfs/dbraw/zinc/98/26/80/816982680.db2.gz OVMBPRXFYREPAX-HIFRSBDPSA-N 2 2 262.353 0.981 20 0 CCADLP CC[C@H](C)C[NH+]1CC(NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001031413887 817040214 /nfs/dbraw/zinc/04/02/14/817040214.db2.gz CFHBMSSNOHRCOT-JSGCOSHPSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@H](C)C[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001031413887 817040218 /nfs/dbraw/zinc/04/02/18/817040218.db2.gz CFHBMSSNOHRCOT-JSGCOSHPSA-N 2 2 283.416 0.554 20 0 CCADLP CC[NH+]1CC(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001031783920 817365001 /nfs/dbraw/zinc/36/50/01/817365001.db2.gz IXYFQYKYKJBOPE-LBPRGKRZSA-N 2 2 262.357 0.513 20 0 CCADLP CCC[NH+]1CC(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001031782895 817365805 /nfs/dbraw/zinc/36/58/05/817365805.db2.gz PBTCAUVOIMYSTC-CYBMUJFWSA-N 2 2 276.384 0.904 20 0 CCADLP CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@@H](O)C1 ZINC001083768423 817427123 /nfs/dbraw/zinc/42/71/23/817427123.db2.gz ALCGYNYRBUMNJL-RTXFEEFZSA-N 2 2 292.383 0.401 20 0 CCADLP CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@@H](O)C1 ZINC001083768423 817427125 /nfs/dbraw/zinc/42/71/25/817427125.db2.gz ALCGYNYRBUMNJL-RTXFEEFZSA-N 2 2 292.383 0.401 20 0 CCADLP Cc1cc(C[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)no1 ZINC001124837602 817591103 /nfs/dbraw/zinc/59/11/03/817591103.db2.gz OPHIACVOPIEFMJ-GFCCVEGCSA-N 2 2 266.345 0.283 20 0 CCADLP Cc1cc(C[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)no1 ZINC001124837602 817591108 /nfs/dbraw/zinc/59/11/08/817591108.db2.gz OPHIACVOPIEFMJ-GFCCVEGCSA-N 2 2 266.345 0.283 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)NCC1C[NH+](CCF)C1 ZINC001032131857 817658836 /nfs/dbraw/zinc/65/88/36/817658836.db2.gz CQOUROYUCIUZKP-UHFFFAOYSA-N 2 2 280.347 0.779 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001107079166 817716456 /nfs/dbraw/zinc/71/64/56/817716456.db2.gz VUSFSCUZNZGTGR-MGPQQGTHSA-N 2 2 294.399 0.602 20 0 CCADLP CC[C@@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1)OC ZINC001032814978 818039627 /nfs/dbraw/zinc/03/96/27/818039627.db2.gz SWBLZSSXVHUBHZ-IHRRRGAJSA-N 2 2 292.383 0.593 20 0 CCADLP CC[C@@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1)OC ZINC001032814978 818039632 /nfs/dbraw/zinc/03/96/32/818039632.db2.gz SWBLZSSXVHUBHZ-IHRRRGAJSA-N 2 2 292.383 0.593 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H]1CCOC1 ZINC001032815019 818041120 /nfs/dbraw/zinc/04/11/20/818041120.db2.gz VFKISNLNNOWHDO-IHRRRGAJSA-N 2 2 290.367 0.205 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CCOC1 ZINC001032815019 818041125 /nfs/dbraw/zinc/04/11/25/818041125.db2.gz VFKISNLNNOWHDO-IHRRRGAJSA-N 2 2 290.367 0.205 20 0 CCADLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1OC)[NH+](C)C ZINC001212462628 818139623 /nfs/dbraw/zinc/13/96/23/818139623.db2.gz GSHPFYSYDXPAEW-IJLUTSLNSA-N 2 2 275.368 0.112 20 0 CCADLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1OC)[NH+](C)C ZINC001212462628 818139629 /nfs/dbraw/zinc/13/96/29/818139629.db2.gz GSHPFYSYDXPAEW-IJLUTSLNSA-N 2 2 275.368 0.112 20 0 CCADLP CC[C@H](C(=O)NCc1cnn2c1C[N@H+](CC)CC2)[NH+](C)C ZINC001128397043 818217823 /nfs/dbraw/zinc/21/78/23/818217823.db2.gz OVPKTAHFDFPVNW-CYBMUJFWSA-N 2 2 293.415 0.675 20 0 CCADLP CC[C@H](C(=O)NCc1cnn2c1C[N@@H+](CC)CC2)[NH+](C)C ZINC001128397043 818217830 /nfs/dbraw/zinc/21/78/30/818217830.db2.gz OVPKTAHFDFPVNW-CYBMUJFWSA-N 2 2 293.415 0.675 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ncc3[nH]ccc3n2)CC1 ZINC001168735951 818540552 /nfs/dbraw/zinc/54/05/52/818540552.db2.gz HASSWKXMCJZFBC-UHFFFAOYSA-N 2 2 259.317 0.552 20 0 CCADLP CCC[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001108075673 818556043 /nfs/dbraw/zinc/55/60/43/818556043.db2.gz BNCPTJGUYRCVSJ-HNNXBMFYSA-N 2 2 294.399 0.809 20 0 CCADLP CCC[N@H+]1CCO[C@@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001108075673 818556049 /nfs/dbraw/zinc/55/60/49/818556049.db2.gz BNCPTJGUYRCVSJ-HNNXBMFYSA-N 2 2 294.399 0.809 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cnc3c(c2)CCCN3)CC1 ZINC001168746489 818628627 /nfs/dbraw/zinc/62/86/27/818628627.db2.gz RZEXWCHZFUSZCV-UHFFFAOYSA-N 2 2 274.372 0.321 20 0 CCADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCF)C1 ZINC001033773038 818927511 /nfs/dbraw/zinc/92/75/11/818927511.db2.gz CPKIMOIMCSMDEE-STQMWFEESA-N 2 2 271.380 0.973 20 0 CCADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](CCF)C1 ZINC001033773038 818927517 /nfs/dbraw/zinc/92/75/17/818927517.db2.gz CPKIMOIMCSMDEE-STQMWFEESA-N 2 2 271.380 0.973 20 0 CCADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CCF)C1 ZINC001033773038 818927522 /nfs/dbraw/zinc/92/75/22/818927522.db2.gz CPKIMOIMCSMDEE-STQMWFEESA-N 2 2 271.380 0.973 20 0 CCADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CCF)C1 ZINC001033773038 818927529 /nfs/dbraw/zinc/92/75/29/818927529.db2.gz CPKIMOIMCSMDEE-STQMWFEESA-N 2 2 271.380 0.973 20 0 CCADLP CCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702118761 819057778 /nfs/dbraw/zinc/05/77/78/819057778.db2.gz ARRKHWXRSGUBPH-SGMGOOAPSA-N 2 2 253.390 0.833 20 0 CCADLP CCCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702118761 819057783 /nfs/dbraw/zinc/05/77/83/819057783.db2.gz ARRKHWXRSGUBPH-SGMGOOAPSA-N 2 2 253.390 0.833 20 0 CCADLP COCC[N@@H+]1CCCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034483509 819219861 /nfs/dbraw/zinc/21/98/61/819219861.db2.gz DXLBDMSCZWATEC-CYBMUJFWSA-N 2 2 294.399 0.580 20 0 CCADLP COCC[N@H+]1CCCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034483509 819219862 /nfs/dbraw/zinc/21/98/62/819219862.db2.gz DXLBDMSCZWATEC-CYBMUJFWSA-N 2 2 294.399 0.580 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[N@H+](CCCO)C1 ZINC001034503817 819222886 /nfs/dbraw/zinc/22/28/86/819222886.db2.gz TVNVOBONXWXHBD-ZDUSSCGKSA-N 2 2 294.399 0.614 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[N@@H+](CCCO)C1 ZINC001034503817 819222892 /nfs/dbraw/zinc/22/28/92/819222892.db2.gz TVNVOBONXWXHBD-ZDUSSCGKSA-N 2 2 294.399 0.614 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+]CC[C@@H]1CCCO1 ZINC001128967419 819237489 /nfs/dbraw/zinc/23/74/89/819237489.db2.gz PRRJKRMJTWZCFL-ZDUSSCGKSA-N 2 2 280.372 0.617 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC[NH2+]CC[C@@H]1CCCO1 ZINC001128967419 819237497 /nfs/dbraw/zinc/23/74/97/819237497.db2.gz PRRJKRMJTWZCFL-ZDUSSCGKSA-N 2 2 280.372 0.617 20 0 CCADLP Cc1cc(N2CCOCC2)[nH+]cc1-n1nccc1C[NH3+] ZINC001162593832 819319861 /nfs/dbraw/zinc/31/98/61/819319861.db2.gz RBTDLDIKIPRFPH-UHFFFAOYSA-N 2 2 273.340 0.871 20 0 CCADLP C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1[NH2+]CCO ZINC001036134544 819694633 /nfs/dbraw/zinc/69/46/33/819694633.db2.gz WZZQGYQJWHMWMJ-STQMWFEESA-N 2 2 280.372 0.092 20 0 CCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1[NH2+]CCF ZINC001036312957 819724099 /nfs/dbraw/zinc/72/40/99/819724099.db2.gz HYHXFLAAGFUPLO-NEPJUHHUSA-N 2 2 268.336 0.679 20 0 CCADLP Cc1ccnc(C[NH+]2CCC(O)(C[NH+](C)C)CC2)n1 ZINC000710608067 819855732 /nfs/dbraw/zinc/85/57/32/819855732.db2.gz SVLARIOQLHENEQ-UHFFFAOYSA-N 2 2 264.373 0.674 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000711051329 819875557 /nfs/dbraw/zinc/87/55/57/819875557.db2.gz JAGFFTJMLBQMLK-JHJVBQTASA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711335366 820005757 /nfs/dbraw/zinc/00/57/57/820005757.db2.gz QQHJTUPOQXIQOA-RYUDHWBXSA-N 2 2 269.389 0.069 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711335139 820005840 /nfs/dbraw/zinc/00/58/40/820005840.db2.gz QQHJTUPOQXIQOA-NEPJUHHUSA-N 2 2 269.389 0.069 20 0 CCADLP COCc1noc(C[NH+]2CCC(OCCC[NH3+])CC2)n1 ZINC001118261198 820201920 /nfs/dbraw/zinc/20/19/20/820201920.db2.gz PJGVHQAYBPAMQI-UHFFFAOYSA-N 2 2 284.360 0.546 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001079990569 820495432 /nfs/dbraw/zinc/49/54/32/820495432.db2.gz IGRCCOVTVAJSKY-JHJVBQTASA-N 2 2 276.384 0.902 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001079990569 820495437 /nfs/dbraw/zinc/49/54/37/820495437.db2.gz IGRCCOVTVAJSKY-JHJVBQTASA-N 2 2 276.384 0.902 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](CCF)C[C@H]2C)C1 ZINC001080446856 820578279 /nfs/dbraw/zinc/57/82/79/820578279.db2.gz RVYXLIYNGQXHQP-JHJVBQTASA-N 2 2 271.380 0.734 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](CCF)C[C@H]2C)C1 ZINC001080446856 820578283 /nfs/dbraw/zinc/57/82/83/820578283.db2.gz RVYXLIYNGQXHQP-JHJVBQTASA-N 2 2 271.380 0.734 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](CCF)C[C@H]2C)C1 ZINC001080446856 820578289 /nfs/dbraw/zinc/57/82/89/820578289.db2.gz RVYXLIYNGQXHQP-JHJVBQTASA-N 2 2 271.380 0.734 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](CCF)C[C@H]2C)C1 ZINC001080446856 820578295 /nfs/dbraw/zinc/57/82/95/820578295.db2.gz RVYXLIYNGQXHQP-JHJVBQTASA-N 2 2 271.380 0.734 20 0 CCADLP C[C@@H]1C[N@H+](CC2CC2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001080782573 820637414 /nfs/dbraw/zinc/63/74/14/820637414.db2.gz RDZZNEAPZHSWDL-BXUZGUMPSA-N 2 2 276.384 0.809 20 0 CCADLP C[C@@H]1C[N@@H+](CC2CC2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001080782573 820637418 /nfs/dbraw/zinc/63/74/18/820637418.db2.gz RDZZNEAPZHSWDL-BXUZGUMPSA-N 2 2 276.384 0.809 20 0 CCADLP CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H](OC)C1 ZINC001081867046 820849866 /nfs/dbraw/zinc/84/98/66/820849866.db2.gz CZEYKTLZKMNBHI-IACUBPJLSA-N 2 2 292.383 0.281 20 0 CCADLP CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H](OC)C1 ZINC001081867046 820849873 /nfs/dbraw/zinc/84/98/73/820849873.db2.gz CZEYKTLZKMNBHI-IACUBPJLSA-N 2 2 292.383 0.281 20 0 CCADLP CC[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](OC)C1 ZINC001081880168 820853163 /nfs/dbraw/zinc/85/31/63/820853163.db2.gz NVUDNOPUZSRBPL-CHWSQXEVSA-N 2 2 296.371 0.185 20 0 CCADLP CC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H](OC)C1 ZINC001081880168 820853171 /nfs/dbraw/zinc/85/31/71/820853171.db2.gz NVUDNOPUZSRBPL-CHWSQXEVSA-N 2 2 296.371 0.185 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1[NH2+]CCF ZINC001082601310 821004941 /nfs/dbraw/zinc/00/49/41/821004941.db2.gz VIISWDAOWPRCHH-MBNYWOFBSA-N 2 2 294.374 0.852 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@H]2CC[N@@H+](CCCO)C[C@H]21 ZINC001084311527 821266779 /nfs/dbraw/zinc/26/67/79/821266779.db2.gz OOLAIMMQQHHTIL-CHWSQXEVSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@H]2CC[N@H+](CCCO)C[C@H]21 ZINC001084311527 821266791 /nfs/dbraw/zinc/26/67/91/821266791.db2.gz OOLAIMMQQHHTIL-CHWSQXEVSA-N 2 2 292.383 0.257 20 0 CCADLP CC(C)C[N@@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099811251 821336998 /nfs/dbraw/zinc/33/69/98/821336998.db2.gz XKBYJYPNYDXQPN-OLZOCXBDSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)C[N@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099811251 821337005 /nfs/dbraw/zinc/33/70/05/821337005.db2.gz XKBYJYPNYDXQPN-OLZOCXBDSA-N 2 2 294.399 0.550 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[N@@H+](C[C@H](C)O)C[C@H]21 ZINC001084799221 821393442 /nfs/dbraw/zinc/39/34/42/821393442.db2.gz XRRMOCXQHZBTSM-ZKYQVNSYSA-N 2 2 292.383 0.174 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[N@H+](C[C@H](C)O)C[C@H]21 ZINC001084799221 821393454 /nfs/dbraw/zinc/39/34/54/821393454.db2.gz XRRMOCXQHZBTSM-ZKYQVNSYSA-N 2 2 292.383 0.174 20 0 CCADLP O=C(C[NH+]1CCC1)N1CC2(C1)CC[N@H+](Cc1cn[nH]c1)C2 ZINC001273363259 821959302 /nfs/dbraw/zinc/95/93/02/821959302.db2.gz LMSBLECAUCSRMK-UHFFFAOYSA-N 2 2 289.383 0.150 20 0 CCADLP O=C(C[NH+]1CCC1)N1CC2(C1)CC[N@@H+](Cc1cn[nH]c1)C2 ZINC001273363259 821959307 /nfs/dbraw/zinc/95/93/07/821959307.db2.gz LMSBLECAUCSRMK-UHFFFAOYSA-N 2 2 289.383 0.150 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716087160 822109758 /nfs/dbraw/zinc/10/97/58/822109758.db2.gz ADYLVUBIYQNORR-WHXUTIOJSA-N 2 2 257.359 0.437 20 0 CCADLP O=C(NC[C@H]1C[C@@H]([NH2+]CCF)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001086129207 822121723 /nfs/dbraw/zinc/12/17/23/822121723.db2.gz SPHYRHZLGZHXGC-UPJWGTAASA-N 2 2 294.374 0.899 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NC[C@H]2C[C@@H]([NH2+]CCF)C2)no1 ZINC001086132550 822122676 /nfs/dbraw/zinc/12/26/76/822122676.db2.gz WWHHHGUCYGGJKF-PHIMTYICSA-N 2 2 298.362 0.804 20 0 CCADLP [NH3+][C@H]1COC[C@H]1Nc1cc(N2CCCCC2)[nH+]cn1 ZINC001155354028 822132013 /nfs/dbraw/zinc/13/20/13/822132013.db2.gz ZCQYIMYJEKNDDY-WDEREUQCSA-N 2 2 263.345 0.605 20 0 CCADLP O=C(NC[C@H]1C[C@H]([NH2+]CCF)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001086407051 822240981 /nfs/dbraw/zinc/24/09/81/822240981.db2.gz SPHYRHZLGZHXGC-AVGNSLFASA-N 2 2 294.374 0.899 20 0 CCADLP O=C(NC[C@H]1C[C@H]([NH2+]CCO)C1)c1cccc2[nH+]ccn21 ZINC001086427413 822250935 /nfs/dbraw/zinc/25/09/35/822250935.db2.gz QCCWOILESALZQK-HAQNSBGRSA-N 2 2 288.351 0.425 20 0 CCADLP C[C@@H]1CCN(C(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)C[C@@H]1[NH3+] ZINC001157821600 837470788 /nfs/dbraw/zinc/47/07/88/837470788.db2.gz RFIOEAHNFUKDKC-HONMWMINSA-N 3 2 276.384 0.454 20 0 CCADLP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]Cc1cnsn1 ZINC001129840997 837572572 /nfs/dbraw/zinc/57/25/72/837572572.db2.gz LBZFGJWXFQBFQY-LBPRGKRZSA-N 2 2 297.428 0.618 20 0 CCADLP C[N@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]Cc1cnsn1 ZINC001129840997 837572575 /nfs/dbraw/zinc/57/25/75/837572575.db2.gz LBZFGJWXFQBFQY-LBPRGKRZSA-N 2 2 297.428 0.618 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[NH2+]Cc1cnsn1)[NH+](C)C ZINC001129947099 837596999 /nfs/dbraw/zinc/59/69/99/837596999.db2.gz JTZGQYNMNPJRGD-NSHDSACASA-N 2 2 285.417 0.330 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)[C@H]2CCCC[N@H+]2C)nc1 ZINC001130296738 837751772 /nfs/dbraw/zinc/75/17/72/837751772.db2.gz CBWDPUDSXJAISW-CYBMUJFWSA-N 2 2 291.399 0.475 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)[C@H]2CCCC[N@@H+]2C)nc1 ZINC001130296738 837751781 /nfs/dbraw/zinc/75/17/81/837751781.db2.gz CBWDPUDSXJAISW-CYBMUJFWSA-N 2 2 291.399 0.475 20 0 CCADLP COCCCC[NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130407024 837787521 /nfs/dbraw/zinc/78/75/21/837787521.db2.gz JTCXRUZJSOPPGJ-ZDUSSCGKSA-N 2 2 294.399 0.578 20 0 CCADLP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1nonc1C ZINC001130419367 837795033 /nfs/dbraw/zinc/79/50/33/837795033.db2.gz XFAGUIJCIYVMSW-UHFFFAOYSA-N 2 2 283.376 0.314 20 0 CCADLP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1nonc1C ZINC001130419367 837795041 /nfs/dbraw/zinc/79/50/41/837795041.db2.gz XFAGUIJCIYVMSW-UHFFFAOYSA-N 2 2 283.376 0.314 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@]1(C)C[N@@H+](C(C)C)CCO1 ZINC001108400131 836019615 /nfs/dbraw/zinc/01/96/15/836019615.db2.gz DSOFEKSJKCAMRL-OAHLLOKOSA-N 2 2 294.399 0.807 20 0 CCADLP CC(=O)Nc1ccnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1 ZINC001169066719 836122759 /nfs/dbraw/zinc/12/27/59/836122759.db2.gz GWMNLXMDCMTXRA-SNVBAGLBSA-N 2 2 275.312 0.088 20 0 CCADLP CCc1nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ncc1F ZINC001169071219 836124323 /nfs/dbraw/zinc/12/43/23/836124323.db2.gz ICFLVMKRKDPZBF-MRVPVSSYSA-N 2 2 265.292 0.226 20 0 CCADLP CN1c2ccc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)cc2CC1=O ZINC001169073810 836126924 /nfs/dbraw/zinc/12/69/24/836126924.db2.gz LXKFAYHGCVVHOO-LLVKDONJSA-N 2 2 286.335 0.253 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccnc(OC(F)F)c1 ZINC001169074331 836127449 /nfs/dbraw/zinc/12/74/49/836127449.db2.gz JYOFDSXBRFMYFC-MRVPVSSYSA-N 2 2 284.266 0.731 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H](n2cc[nH+]c2CC[NH3+])CO1 ZINC001169317813 836195579 /nfs/dbraw/zinc/19/55/79/836195579.db2.gz CUSZSQZVYRRREA-QWRGUYRKSA-N 2 2 267.329 0.668 20 0 CCADLP CC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001169515658 836319315 /nfs/dbraw/zinc/31/93/15/836319315.db2.gz XJZGOBMPYDXFFP-KBPBESRZSA-N 2 2 251.374 0.681 20 0 CCADLP CC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001169515658 836319331 /nfs/dbraw/zinc/31/93/31/836319331.db2.gz XJZGOBMPYDXFFP-KBPBESRZSA-N 2 2 251.374 0.681 20 0 CCADLP O=C1COc2c[nH+]c(NCC[C@H]3CCC[NH2+]3)cc2N1 ZINC001169558693 836347061 /nfs/dbraw/zinc/34/70/61/836347061.db2.gz NPKUCXIGUDKDJG-SECBINFHSA-N 2 2 262.313 0.967 20 0 CCADLP COCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC001115341310 836700333 /nfs/dbraw/zinc/70/03/33/836700333.db2.gz AABSPJSRTRTVMK-NHAGDIPZSA-N 2 2 292.383 0.356 20 0 CCADLP COCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC001115341310 836700338 /nfs/dbraw/zinc/70/03/38/836700338.db2.gz AABSPJSRTRTVMK-NHAGDIPZSA-N 2 2 292.383 0.356 20 0 CCADLP O=C(N1CC2(C1)CC(F)(F)C2)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157522042 837081815 /nfs/dbraw/zinc/08/18/15/837081815.db2.gz PGWCUJMAFYYFAT-NOZJJQNGSA-N 2 2 271.311 0.196 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001113346315 837095513 /nfs/dbraw/zinc/09/55/13/837095513.db2.gz VJAJREMCISLMCR-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001113346315 837095523 /nfs/dbraw/zinc/09/55/23/837095523.db2.gz VJAJREMCISLMCR-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP COCCCC[NH+]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001113385057 837104137 /nfs/dbraw/zinc/10/41/37/837104137.db2.gz XHWNCEYWPIUDRI-UHFFFAOYSA-N 2 2 280.372 0.523 20 0 CCADLP CC[NH+](CC)[C@H](C(=O)N1CC[NH+](CCCO)CC1)C(C)C ZINC001113441464 837115976 /nfs/dbraw/zinc/11/59/76/837115976.db2.gz BJCHQDXNSTZTGP-HNNXBMFYSA-N 2 2 299.459 0.879 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC001113572653 837163846 /nfs/dbraw/zinc/16/38/46/837163846.db2.gz DVSVUZNBCBRRDB-UHFFFAOYSA-N 2 2 293.415 0.406 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CCN(Cc2c[nH+]cn2C)CC1 ZINC001113572653 837163851 /nfs/dbraw/zinc/16/38/51/837163851.db2.gz DVSVUZNBCBRRDB-UHFFFAOYSA-N 2 2 293.415 0.406 20 0 CCADLP C[NH+]1CC(CNc2nc(N3CCOCC3)cc[nH+]2)C1 ZINC001170249883 837283621 /nfs/dbraw/zinc/28/36/21/837283621.db2.gz RGGNVKFUTLSDTR-UHFFFAOYSA-N 2 2 263.345 0.287 20 0 CCADLP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@@H](CO)n2cc[nH+]c2)CC1 ZINC001157728746 837326134 /nfs/dbraw/zinc/32/61/34/837326134.db2.gz AFYUOFRXOIPOOG-DGCLKSJQSA-N 2 2 284.335 0.096 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1coc(C)n1 ZINC001131380364 838073999 /nfs/dbraw/zinc/07/39/99/838073999.db2.gz JQIQRYIWCXIOLS-UHFFFAOYSA-N 2 2 277.328 0.394 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1ccon1 ZINC001131380689 838078105 /nfs/dbraw/zinc/07/81/05/838078105.db2.gz WSBZUUQAHBSMTG-UHFFFAOYSA-N 2 2 263.301 0.086 20 0 CCADLP C[C@@H](Nc1ccc(N(C)C)c[nH+]1)[C@H]1C[NH2+]CCO1 ZINC001170569140 838136653 /nfs/dbraw/zinc/13/66/53/838136653.db2.gz ICFMMFPGHMTABG-ZYHUDNBSSA-N 2 2 250.346 0.936 20 0 CCADLP Cc1nonc1C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132886687 838513566 /nfs/dbraw/zinc/51/35/66/838513566.db2.gz RJJXCEZAOITOGK-JQWIXIFHSA-N 2 2 295.387 0.314 20 0 CCADLP Cc1nonc1C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132886687 838513571 /nfs/dbraw/zinc/51/35/71/838513571.db2.gz RJJXCEZAOITOGK-JQWIXIFHSA-N 2 2 295.387 0.314 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)C2(C[NH+](C)C)CC2)o1 ZINC001132993094 838532840 /nfs/dbraw/zinc/53/28/40/838532840.db2.gz NEPKXKOETLACHC-UHFFFAOYSA-N 2 2 295.387 0.180 20 0 CCADLP C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCO ZINC001133135626 838559640 /nfs/dbraw/zinc/55/96/40/838559640.db2.gz VARMXVGGNTYLQO-NWDGAFQWSA-N 2 2 280.372 0.019 20 0 CCADLP C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CCO ZINC001133194770 838574323 /nfs/dbraw/zinc/57/43/23/838574323.db2.gz KMQGRJVKAWGQIT-NWDGAFQWSA-N 2 2 280.372 0.019 20 0 CCADLP C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C[NH2+]CCO ZINC001133242197 838582722 /nfs/dbraw/zinc/58/27/22/838582722.db2.gz OQJQPVMTHKVYDO-OLZOCXBDSA-N 2 2 294.399 0.029 20 0 CCADLP Cc1noc([C@H](C)[NH2+]CCNC(=O)CC[NH+](C)C)n1 ZINC001133294520 838592653 /nfs/dbraw/zinc/59/26/53/838592653.db2.gz LZNLTCIIBIRFFO-VIFPVBQESA-N 2 2 269.349 0.097 20 0 CCADLP CC(C)c1nnc(C[NH2+]CCNC(=O)CC[NH+](C)C)o1 ZINC001133294969 838592907 /nfs/dbraw/zinc/59/29/07/838592907.db2.gz YBZZZCVVGXJYCS-UHFFFAOYSA-N 2 2 283.376 0.351 20 0 CCADLP Cc1noc([C@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C)n1 ZINC001133434688 838635392 /nfs/dbraw/zinc/63/53/92/838635392.db2.gz ZDBMERJIANMCHE-CMPLNLGQSA-N 2 2 297.403 0.731 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)C[N@@H+]2CCC[C@@H]2C)[nH]1 ZINC001133824077 838736929 /nfs/dbraw/zinc/73/69/29/838736929.db2.gz XHELHRNGYITOKL-WDEREUQCSA-N 2 2 294.403 0.364 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)C[N@H+]2CCC[C@@H]2C)[nH]1 ZINC001133824077 838736936 /nfs/dbraw/zinc/73/69/36/838736936.db2.gz XHELHRNGYITOKL-WDEREUQCSA-N 2 2 294.403 0.364 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]C/C=C\Cl ZINC001134045889 838843142 /nfs/dbraw/zinc/84/31/42/838843142.db2.gz QKSHQWOKMPMAGX-LVUHIJSRSA-N 2 2 282.775 0.982 20 0 CCADLP C[NH+](C)CCCC(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC001185249466 844379310 /nfs/dbraw/zinc/37/93/10/844379310.db2.gz YPQBTUUVRARCNZ-LLVKDONJSA-N 2 2 297.428 0.570 20 0 CCADLP C[C@H]1CC[C@H](C[NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)O1 ZINC001134393651 838963963 /nfs/dbraw/zinc/96/39/63/838963963.db2.gz QTTPWEOXTWUMQQ-CMPLNLGQSA-N 2 2 266.345 0.226 20 0 CCADLP [NH3+]CCC(=O)NCCc1c[nH+]cn1[C@H]1CCCOCC1 ZINC001170791209 839159141 /nfs/dbraw/zinc/15/91/41/839159141.db2.gz BBFITTHNFPAAKB-LBPRGKRZSA-N 2 2 280.372 0.632 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1nc(C2CC2)no1 ZINC001135510910 839279281 /nfs/dbraw/zinc/27/92/81/839279281.db2.gz IEZGVZMASWWUGD-UHFFFAOYSA-N 2 2 295.387 0.495 20 0 CCADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1C[NH2+]CCO ZINC001185502295 844426127 /nfs/dbraw/zinc/42/61/27/844426127.db2.gz LJEBHULTWILMTN-STQMWFEESA-N 2 2 294.399 0.029 20 0 CCADLP C[C@H](C[C@@H](C)[NH2+]CCF)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135799595 839418794 /nfs/dbraw/zinc/41/87/94/839418794.db2.gz VZMAKHJXEHCAPG-NXEZZACHSA-N 2 2 256.325 0.795 20 0 CCADLP CCN(CC)c1cc(N[C@H]2C[NH2+]C[C@H]2CO)nc[nH+]1 ZINC001159679354 839509838 /nfs/dbraw/zinc/50/98/38/839509838.db2.gz SXRJMYIHTWHCNZ-QWRGUYRKSA-N 2 2 265.361 0.315 20 0 CCADLP CCN(CC)c1cc(N[C@@H]2C[NH2+]C[C@@H]2CO)nc[nH+]1 ZINC001159679352 839510066 /nfs/dbraw/zinc/51/00/66/839510066.db2.gz SXRJMYIHTWHCNZ-GHMZBOCLSA-N 2 2 265.361 0.315 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001245978028 839575653 /nfs/dbraw/zinc/57/56/53/839575653.db2.gz YVKHIDUBSHDEOX-MGPQQGTHSA-N 3 2 257.422 0.667 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C1CC1)[NH+](C)C ZINC001136323619 839589910 /nfs/dbraw/zinc/58/99/10/839589910.db2.gz IFERNTVDFBRJGT-GFCCVEGCSA-N 2 2 250.346 0.717 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCC[NH2+]C2)CN1 ZINC001246122056 839634036 /nfs/dbraw/zinc/63/40/36/839634036.db2.gz FGFFENZSBIVPRX-SRVKXCTJSA-N 2 2 255.362 0.012 20 0 CCADLP C([NH2+][C@H]1CCC2(C[NH2+]C2)C1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246140769 839640696 /nfs/dbraw/zinc/64/06/96/839640696.db2.gz GTHYURFCJGFYGX-UONOGXRCSA-N 4 2 278.444 0.592 20 0 CCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C[NH2+]CCCO ZINC001185787380 844460453 /nfs/dbraw/zinc/46/04/53/844460453.db2.gz GALKBRBKAYNNBG-ZIAGYGMSSA-N 2 2 294.399 0.340 20 0 CCADLP CC[NH2+]CCCNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001170994422 839678347 /nfs/dbraw/zinc/67/83/47/839678347.db2.gz GLMISETZGDXOPI-UHFFFAOYSA-N 2 2 273.340 0.997 20 0 CCADLP CCOC(=O)CN(CC[NH3+])c1cc[nH+]c(CC)c1 ZINC001170996080 839684701 /nfs/dbraw/zinc/68/47/01/839684701.db2.gz HPYWGFFNIPLIHO-UHFFFAOYSA-N 2 2 251.330 0.972 20 0 CCADLP c1cc(OC2COC2)cc(C[NH2+]C2CC[NH2+]CC2)n1 ZINC001246235050 839716283 /nfs/dbraw/zinc/71/62/83/839716283.db2.gz XGVXRPKZQWKTTB-UHFFFAOYSA-N 2 2 263.341 0.701 20 0 CCADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246361747 839819354 /nfs/dbraw/zinc/81/93/54/839819354.db2.gz NJPMPWVVDPVFMC-KGLIPLIRSA-N 3 2 266.433 0.400 20 0 CCADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246361747 839819359 /nfs/dbraw/zinc/81/93/59/839819359.db2.gz NJPMPWVVDPVFMC-KGLIPLIRSA-N 3 2 266.433 0.400 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001185924846 844475567 /nfs/dbraw/zinc/47/55/67/844475567.db2.gz GBBHWKFOBGUQLQ-UDIQPFLZSA-N 2 2 268.748 0.895 20 0 CCADLP CN(C)c1cc[nH+]cc1NC(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC001186033837 844485116 /nfs/dbraw/zinc/48/51/16/844485116.db2.gz JYVCZEJQFQTJLO-SNVBAGLBSA-N 2 2 264.329 0.153 20 0 CCADLP CN(C)c1cc[nH+]cc1NC(=O)C[N@H+]1CC[C@@H](O)C1 ZINC001186033837 844485120 /nfs/dbraw/zinc/48/51/20/844485120.db2.gz JYVCZEJQFQTJLO-SNVBAGLBSA-N 2 2 264.329 0.153 20 0 CCADLP COC(=O)[C@@H]([NH3+])CCC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001160726459 840155197 /nfs/dbraw/zinc/15/51/97/840155197.db2.gz NUGPSNQQAVBLRD-LBPRGKRZSA-N 2 2 294.355 0.327 20 0 CCADLP C[C@H](F)CC[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171239243 840174810 /nfs/dbraw/zinc/17/48/10/840174810.db2.gz YUUOHDTXRDGCIZ-NSHDSACASA-N 2 2 270.352 0.807 20 0 CCADLP Cc1nocc1C[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171238953 840179007 /nfs/dbraw/zinc/17/90/07/840179007.db2.gz UFTBBTAXRAFEPN-UHFFFAOYSA-N 2 2 291.355 0.555 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]Cc1nncs1 ZINC001171245128 840187934 /nfs/dbraw/zinc/18/79/34/840187934.db2.gz WYOZXIRFJNVLMJ-UHFFFAOYSA-N 2 2 294.384 0.110 20 0 CCADLP C[C@H](C[C@H](C)[NH2+]CCCO)NC(=O)CCCn1cc[nH+]c1 ZINC001146716314 840352936 /nfs/dbraw/zinc/35/29/36/840352936.db2.gz ZCPJGKKULBIVOY-UONOGXRCSA-N 2 2 296.415 0.919 20 0 CCADLP [NH3+]CC1C[NH+]([C@@H]2CCCN(C3CC[NH2+]CC3)C2)C1 ZINC001246871824 840361519 /nfs/dbraw/zinc/36/15/19/840361519.db2.gz MUNTYAPNRQWNEP-CQSZACIVSA-N 3 2 252.406 0.093 20 0 CCADLP CCOCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146772156 840361890 /nfs/dbraw/zinc/36/18/90/840361890.db2.gz RTNVQKOKZITLLP-CHWSQXEVSA-N 2 2 282.388 0.793 20 0 CCADLP C[C@@H](O)C[NH2+]CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001160990096 840363673 /nfs/dbraw/zinc/36/36/73/840363673.db2.gz DFUQZHDFMNWEBK-SNVBAGLBSA-N 2 2 276.340 0.653 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+]([C@H]2C[C@@H]3[C@H](C2)C3(C)C)C[C@@H]1[NH3+] ZINC001246933959 840586287 /nfs/dbraw/zinc/58/62/87/840586287.db2.gz UMLMEBXGZNKYEN-ZIQFBCGOSA-N 2 2 252.358 0.853 20 0 CCADLP COC(=O)[C@@H]1C[N@H+]([C@H]2C[C@@H]3[C@H](C2)C3(C)C)C[C@@H]1[NH3+] ZINC001246933959 840586290 /nfs/dbraw/zinc/58/62/90/840586290.db2.gz UMLMEBXGZNKYEN-ZIQFBCGOSA-N 2 2 252.358 0.853 20 0 CCADLP CC[NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001147615719 840649212 /nfs/dbraw/zinc/64/92/12/840649212.db2.gz ZKSZYNSNBZZQPU-UHFFFAOYSA-N 2 2 259.313 0.607 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)COCC[NH+](C)C)o1 ZINC001147841232 840697717 /nfs/dbraw/zinc/69/77/17/840697717.db2.gz AHQIKLYBZADTNS-UHFFFAOYSA-N 2 2 298.387 0.021 20 0 CCADLP CC(C)=CC[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147871777 840708001 /nfs/dbraw/zinc/70/80/01/840708001.db2.gz LNOGOIBGXUOSRF-UHFFFAOYSA-N 2 2 250.346 0.635 20 0 CCADLP C[C@H]1CC[C@H](C[NH2+]CCNC(=O)Cc2c[nH+]cn2C)O1 ZINC001147871625 840708347 /nfs/dbraw/zinc/70/83/47/840708347.db2.gz FKKKXCIDBHUJBT-WCQYABFASA-N 2 2 280.372 0.236 20 0 CCADLP CO[C@@H](C[NH2+]CCNC(=O)Cc1c[nH+]cn1C)C1CCC1 ZINC001147876980 840710053 /nfs/dbraw/zinc/71/00/53/840710053.db2.gz BCOIDIPVMQLDHH-AWEZNQCLSA-N 2 2 294.399 0.484 20 0 CCADLP CC(C)CCOCC[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147915491 840722512 /nfs/dbraw/zinc/72/25/12/840722512.db2.gz KYQNCOABORUQKE-UHFFFAOYSA-N 2 2 296.415 0.731 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N1CC2(C1)CC[N@@H+](CCO)C2 ZINC001148888256 840904927 /nfs/dbraw/zinc/90/49/27/840904927.db2.gz ZQRBXWCBFFISLE-UHFFFAOYSA-N 2 2 292.383 0.190 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N1CC2(C1)CC[N@H+](CCO)C2 ZINC001148888256 840904931 /nfs/dbraw/zinc/90/49/31/840904931.db2.gz ZQRBXWCBFFISLE-UHFFFAOYSA-N 2 2 292.383 0.190 20 0 CCADLP C[C@H]([NH2+]CC[C@H]1CCCS1(=O)=O)[C@@H]1CCC[NH2+]1 ZINC000714337904 841194219 /nfs/dbraw/zinc/19/42/19/841194219.db2.gz KJZAMMMARZOOEH-TUAOUCFPSA-N 2 2 260.403 0.684 20 0 CCADLP O=S1(=O)CCC(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)CC1 ZINC000714999034 841238598 /nfs/dbraw/zinc/23/85/98/841238598.db2.gz OPJAHAJKHYGAIQ-ZIAGYGMSSA-N 2 2 286.441 0.885 20 0 CCADLP O=S1(=O)CCC(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)CC1 ZINC000714999034 841238607 /nfs/dbraw/zinc/23/86/07/841238607.db2.gz OPJAHAJKHYGAIQ-ZIAGYGMSSA-N 2 2 286.441 0.885 20 0 CCADLP CC[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC001036910266 841673726 /nfs/dbraw/zinc/67/37/26/841673726.db2.gz QQMJUZYLCPLYLA-STQMWFEESA-N 2 2 262.357 0.826 20 0 CCADLP CC[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC001036910266 841673737 /nfs/dbraw/zinc/67/37/37/841673737.db2.gz QQMJUZYLCPLYLA-STQMWFEESA-N 2 2 262.357 0.826 20 0 CCADLP Cn1cc[nH+]c1CC[NH2+][C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172166694 841876643 /nfs/dbraw/zinc/87/66/43/841876643.db2.gz QTOMKGKJJVYHOB-RYUDHWBXSA-N 2 2 262.357 0.706 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])N[C@H]2CCc3ncsc3C2)CC1 ZINC001173123488 841998501 /nfs/dbraw/zinc/99/85/01/841998501.db2.gz FOSCYTAFGCZADQ-JTQLQIEISA-N 2 2 279.413 0.772 20 0 CCADLP CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1)C2 ZINC001095067777 842019573 /nfs/dbraw/zinc/01/95/73/842019573.db2.gz LZVRIPLJZLWROO-XQQFMLRXSA-N 2 2 262.357 0.872 20 0 CCADLP CC[N@@H+]1CC[C@H](N[C@@H](Cc2c[nH+]cn2C)C(=O)OC)C1 ZINC001173353909 842051627 /nfs/dbraw/zinc/05/16/27/842051627.db2.gz SAGGTMXFIHHXIY-AAEUAGOBSA-N 2 2 280.372 0.188 20 0 CCADLP C[NH+]1CC(C[NH2+][C@H]2CCC[C@@H](n3ncnn3)C2)C1 ZINC001173756850 842149918 /nfs/dbraw/zinc/14/99/18/842149918.db2.gz LJSGIXVOPDYJRV-NWDGAFQWSA-N 2 2 250.350 0.308 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]Cc1ccn(C)n1 ZINC001174681972 842199590 /nfs/dbraw/zinc/19/95/90/842199590.db2.gz DMPOCEUWIWRLND-UHFFFAOYSA-N 2 2 290.371 0.290 20 0 CCADLP C[C@@H](CCCC[NH2+]CCO)NC(=O)CCc1c[nH+]cn1C ZINC001176392765 842363718 /nfs/dbraw/zinc/36/37/18/842363718.db2.gz MLGGADUTYKLFAF-ZDUSSCGKSA-N 2 2 296.415 0.610 20 0 CCADLP COCCC1([NH3+])CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001176883776 842439422 /nfs/dbraw/zinc/43/94/22/842439422.db2.gz MVRZIBICTNMDCF-UHFFFAOYSA-N 2 2 280.372 0.630 20 0 CCADLP [NH3+]CC1(NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)COC1 ZINC001176970629 842473939 /nfs/dbraw/zinc/47/39/39/842473939.db2.gz OYDAHYMEHSGZAB-GFCCVEGCSA-N 2 2 290.367 0.142 20 0 CCADLP COC[C@@H](C)[NH2+]CCCNC(=O)CCCn1cc[nH+]c1 ZINC001177351517 842563432 /nfs/dbraw/zinc/56/34/32/842563432.db2.gz GFNJGYOUURDOGO-CYBMUJFWSA-N 2 2 282.388 0.794 20 0 CCADLP C[C@@H]1C[C@@H](C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)CCO1 ZINC001177404816 842578529 /nfs/dbraw/zinc/57/85/29/842578529.db2.gz HILRCTRSHQAOFX-KGLIPLIRSA-N 2 2 294.399 0.794 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]CC1CCC1 ZINC001177405632 842579032 /nfs/dbraw/zinc/57/90/32/842579032.db2.gz QNLIDUKSNGXFIF-UHFFFAOYSA-N 2 2 250.346 0.779 20 0 CCADLP C[NH+](C)C[C@@H]1COCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178105595 842759315 /nfs/dbraw/zinc/75/93/15/842759315.db2.gz YGRHLKWVVIZBIP-QWHCGFSZSA-N 2 2 292.383 0.235 20 0 CCADLP C[C@H](O)C[NH2+]CCCCCCNC(=O)Cc1c[nH+]cn1C ZINC001180065704 843102693 /nfs/dbraw/zinc/10/26/93/843102693.db2.gz YYDDKWUIVLKFGB-ZDUSSCGKSA-N 2 2 296.415 0.610 20 0 CCADLP CC[C@@H](C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C)OC ZINC001180279302 843142265 /nfs/dbraw/zinc/14/22/65/843142265.db2.gz AWNVGZJUMSZLBL-IHRRRGAJSA-N 2 2 294.399 0.887 20 0 CCADLP CC[NH+](CC)CC(=O)N1CCc2[nH]c(C)[nH+]c2CC1 ZINC001180387952 843158347 /nfs/dbraw/zinc/15/83/47/843158347.db2.gz KLZXSMIFQFCTMA-UHFFFAOYSA-N 2 2 264.373 0.987 20 0 CCADLP CC[NH+](CC)CC(=O)N1CCc2[nH+]ccn2CC1 ZINC001180389002 843158750 /nfs/dbraw/zinc/15/87/50/843158750.db2.gz CMGDREXIQOHXON-UHFFFAOYSA-N 2 2 250.346 0.610 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)CC12CCC[NH+]1CCC2 ZINC001181110962 843403802 /nfs/dbraw/zinc/40/38/02/843403802.db2.gz QYICXTLQQYRPBC-AWEZNQCLSA-N 2 2 295.427 0.842 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)CC12CCC[NH+]1CCC2 ZINC001181110962 843403805 /nfs/dbraw/zinc/40/38/05/843403805.db2.gz QYICXTLQQYRPBC-AWEZNQCLSA-N 2 2 295.427 0.842 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001151066568 843629362 /nfs/dbraw/zinc/62/93/62/843629362.db2.gz WKSAHYOMXKBYGC-ONGXEEELSA-N 2 2 281.360 0.097 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001151066568 843629368 /nfs/dbraw/zinc/62/93/68/843629368.db2.gz WKSAHYOMXKBYGC-ONGXEEELSA-N 2 2 281.360 0.097 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CC[NH+](C(C)C)C1 ZINC001181977524 843656305 /nfs/dbraw/zinc/65/63/05/843656305.db2.gz LPIGAAGABVFAFU-OLZOCXBDSA-N 2 2 297.399 0.032 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CC[NH+](C(C)C)C1 ZINC001181977524 843656309 /nfs/dbraw/zinc/65/63/09/843656309.db2.gz LPIGAAGABVFAFU-OLZOCXBDSA-N 2 2 297.399 0.032 20 0 CCADLP COC(=O)[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001181977524 843656311 /nfs/dbraw/zinc/65/63/11/843656311.db2.gz LPIGAAGABVFAFU-OLZOCXBDSA-N 2 2 297.399 0.032 20 0 CCADLP COC(=O)[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1CC[N@H+](C(C)C)C1 ZINC001181977524 843656313 /nfs/dbraw/zinc/65/63/13/843656313.db2.gz LPIGAAGABVFAFU-OLZOCXBDSA-N 2 2 297.399 0.032 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC001181981554 843659945 /nfs/dbraw/zinc/65/99/45/843659945.db2.gz GOLOMBGZSOKFFV-STQMWFEESA-N 2 2 269.389 0.164 20 0 CCADLP CC(C)[N@H+]1CC[C@H](C(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC001181981554 843659949 /nfs/dbraw/zinc/65/99/49/843659949.db2.gz GOLOMBGZSOKFFV-STQMWFEESA-N 2 2 269.389 0.164 20 0 CCADLP CC(C)[NH+]1CC[C@H](C(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC001181981554 843659953 /nfs/dbraw/zinc/65/99/53/843659953.db2.gz GOLOMBGZSOKFFV-STQMWFEESA-N 2 2 269.389 0.164 20 0 CCADLP CC(C)[NH+]1CC[C@H](C(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC001181981554 843659957 /nfs/dbraw/zinc/65/99/57/843659957.db2.gz GOLOMBGZSOKFFV-STQMWFEESA-N 2 2 269.389 0.164 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(OC(F)F)nc2)C[C@H]1O ZINC001206480966 843722393 /nfs/dbraw/zinc/72/23/93/843722393.db2.gz NDKPLXIECQMXBO-VHSXEESVSA-N 2 2 273.283 0.434 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(OC(F)F)nc2)C[C@H]1O ZINC001206480966 843722394 /nfs/dbraw/zinc/72/23/94/843722394.db2.gz NDKPLXIECQMXBO-VHSXEESVSA-N 2 2 273.283 0.434 20 0 CCADLP COc1c(O)cccc1C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206530096 843867707 /nfs/dbraw/zinc/86/77/07/843867707.db2.gz BPOKLEUXPZLLOY-JQWIXIFHSA-N 2 2 252.314 0.152 20 0 CCADLP COc1c(O)cccc1C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206530096 843867717 /nfs/dbraw/zinc/86/77/17/843867717.db2.gz BPOKLEUXPZLLOY-JQWIXIFHSA-N 2 2 252.314 0.152 20 0 CCADLP COc1ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)nc1C ZINC001206540363 843901258 /nfs/dbraw/zinc/90/12/58/843901258.db2.gz BKLDICMMORVYDF-JQWIXIFHSA-N 2 2 251.330 0.150 20 0 CCADLP COc1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)nc1C ZINC001206540363 843901259 /nfs/dbraw/zinc/90/12/59/843901259.db2.gz BKLDICMMORVYDF-JQWIXIFHSA-N 2 2 251.330 0.150 20 0 CCADLP COC[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001188346833 844871309 /nfs/dbraw/zinc/87/13/09/844871309.db2.gz 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CC[C@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195128599 846468665 /nfs/dbraw/zinc/46/86/65/846468665.db2.gz LLDXBEHLMJLOCJ-BFHYXJOUSA-N 2 2 294.399 0.481 20 0 CCADLP COCCC[N@@H+]1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001195651889 846600106 /nfs/dbraw/zinc/60/01/06/846600106.db2.gz CYVNYNDUKYEVPU-UHFFFAOYSA-N 2 2 294.399 0.913 20 0 CCADLP COCCC[N@H+]1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001195651889 846600110 /nfs/dbraw/zinc/60/01/10/846600110.db2.gz CYVNYNDUKYEVPU-UHFFFAOYSA-N 2 2 294.399 0.913 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]CCCO)C12CCC2 ZINC001203814303 846606589 /nfs/dbraw/zinc/60/65/89/846606589.db2.gz JMTGCIJPXGEGDE-OLZOCXBDSA-N 2 2 292.383 0.283 20 0 CCADLP CC[NH+](CC)CCN1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC001250958469 846665895 /nfs/dbraw/zinc/66/58/95/846665895.db2.gz ZXBQKZLVUFBGJQ-GFCCVEGCSA-N 2 2 297.365 0.869 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO ZINC001110506591 847091475 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CC(C)OC[C@H](O)C[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001252681345 848060196 /nfs/dbraw/zinc/06/01/96/848060196.db2.gz MCQBMQJDGDLUNZ-MJBXVCDLSA-N 2 2 256.390 0.798 20 0 CCADLP CC(C)OC[C@H](O)C[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001252681345 848060205 /nfs/dbraw/zinc/06/02/05/848060205.db2.gz MCQBMQJDGDLUNZ-MJBXVCDLSA-N 2 2 256.390 0.798 20 0 CCADLP CC(C)OC[C@H](O)C[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001252681345 848060216 /nfs/dbraw/zinc/06/02/16/848060216.db2.gz MCQBMQJDGDLUNZ-MJBXVCDLSA-N 2 2 256.390 0.798 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@@H](O)c1ccc(F)cc1F ZINC000717319095 848228313 /nfs/dbraw/zinc/22/83/13/848228313.db2.gz SJMIBTPMRJGUJL-ZWNOBZJWSA-N 2 2 274.311 0.510 20 0 CCADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@@H](O)c1cc(F)ccc1F ZINC000717316576 848228547 /nfs/dbraw/zinc/22/85/47/848228547.db2.gz LCLZUTZFDRDZRI-GXFFZTMASA-N 2 2 274.311 0.510 20 0 CCADLP CCC[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001275542964 848754708 /nfs/dbraw/zinc/75/47/08/848754708.db2.gz XNLBKZHUKZYKCW-GHMZBOCLSA-N 2 2 252.362 0.855 20 0 CCADLP c1cn(CC[N@H+]2C[C@H]3C[C@@H](C2)N3Cc2csnn2)c[nH+]1 ZINC001276182427 848953093 /nfs/dbraw/zinc/95/30/93/848953093.db2.gz ARWPBOSUOLKBJR-BETUJISGSA-N 2 2 290.396 0.693 20 0 CCADLP c1cn(CC[N@@H+]2C[C@H]3C[C@@H](C2)N3Cc2csnn2)c[nH+]1 ZINC001276182427 848953099 /nfs/dbraw/zinc/95/30/99/848953099.db2.gz ARWPBOSUOLKBJR-BETUJISGSA-N 2 2 290.396 0.693 20 0 CCADLP COc1c(C)c[nH+]c(CN2CC[N@H+](C)[C@H](CO)C2)c1C ZINC000687589485 849110083 /nfs/dbraw/zinc/11/00/83/849110083.db2.gz QLODFVHKQSTHHS-ZDUSSCGKSA-N 2 2 279.384 0.815 20 0 CCADLP COc1c(C)c[nH+]c(CN2CC[N@@H+](C)[C@H](CO)C2)c1C ZINC000687589485 849110093 /nfs/dbraw/zinc/11/00/93/849110093.db2.gz QLODFVHKQSTHHS-ZDUSSCGKSA-N 2 2 279.384 0.815 20 0 CCADLP CS(=O)(=O)CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000037740805 849241896 /nfs/dbraw/zinc/24/18/96/849241896.db2.gz SLVGPDNDYANIDS-UHFFFAOYSA-N 2 2 283.397 0.685 20 0 CCADLP CC(C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1 ZINC001114655229 849347515 /nfs/dbraw/zinc/34/75/15/849347515.db2.gz IHUQKVFJVZTHCV-IMRBUKKESA-N 2 2 262.357 0.728 20 0 CCADLP CC(C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1 ZINC001114655229 849347522 /nfs/dbraw/zinc/34/75/22/849347522.db2.gz IHUQKVFJVZTHCV-IMRBUKKESA-N 2 2 262.357 0.728 20 0 CCADLP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nccs3)C[C@H]21 ZINC001114774928 849392591 /nfs/dbraw/zinc/39/25/91/849392591.db2.gz WYLYTTWKPALRCI-YABSGUDNSA-N 2 2 294.424 0.641 20 0 CCADLP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nccs3)C[C@H]21 ZINC001114774928 849392599 /nfs/dbraw/zinc/39/25/99/849392599.db2.gz WYLYTTWKPALRCI-YABSGUDNSA-N 2 2 294.424 0.641 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1C(F)(F)F ZINC000720805288 849540773 /nfs/dbraw/zinc/54/07/73/849540773.db2.gz LZTQTLAWAYOZOI-UWVGGRQHSA-N 2 2 279.306 0.678 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1C(F)(F)F ZINC000720805288 849540776 /nfs/dbraw/zinc/54/07/76/849540776.db2.gz LZTQTLAWAYOZOI-UWVGGRQHSA-N 2 2 279.306 0.678 20 0 CCADLP C[C@H](O)C[NH2+]C1CCC(N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC000964465784 849573944 /nfs/dbraw/zinc/57/39/44/849573944.db2.gz XOIBRJSZDVGFRE-HSBZDZAISA-N 2 2 294.399 0.623 20 0 CCADLP O=C(NC[C@H]1CC[N@H+]1CCCF)[C@H]1CCn2c[nH+]cc2C1 ZINC001038415334 849887667 /nfs/dbraw/zinc/88/76/67/849887667.db2.gz DDZOGOWQEFDJLJ-QWHCGFSZSA-N 2 2 294.374 0.996 20 0 CCADLP O=C(NC[C@H]1CC[N@@H+]1CCCF)[C@H]1CCn2c[nH+]cc2C1 ZINC001038415334 849887674 /nfs/dbraw/zinc/88/76/74/849887674.db2.gz DDZOGOWQEFDJLJ-QWHCGFSZSA-N 2 2 294.374 0.996 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000721885232 849926618 /nfs/dbraw/zinc/92/66/18/849926618.db2.gz FLHAELXIVFDLMW-CHWSQXEVSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000721885232 849926627 /nfs/dbraw/zinc/92/66/27/849926627.db2.gz FLHAELXIVFDLMW-CHWSQXEVSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C(C)(C)O)C1 ZINC000721885232 849926594 /nfs/dbraw/zinc/92/65/94/849926594.db2.gz FLHAELXIVFDLMW-CHWSQXEVSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C(C)(C)O)C1 ZINC000721885232 849926602 /nfs/dbraw/zinc/92/66/02/849926602.db2.gz FLHAELXIVFDLMW-CHWSQXEVSA-N 2 2 274.405 0.018 20 0 CCADLP C[NH+](C)Cc1ccoc1C(=O)NC[C@H]1CC[N@@H+]1CCCO ZINC001038642363 849968135 /nfs/dbraw/zinc/96/81/35/849968135.db2.gz BVKOOBFIDUFFGH-CYBMUJFWSA-N 2 2 295.383 0.528 20 0 CCADLP C[NH+](C)Cc1ccoc1C(=O)NC[C@H]1CC[N@H+]1CCCO ZINC001038642363 849968142 /nfs/dbraw/zinc/96/81/42/849968142.db2.gz BVKOOBFIDUFFGH-CYBMUJFWSA-N 2 2 295.383 0.528 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001038935348 850090361 /nfs/dbraw/zinc/09/03/61/850090361.db2.gz NBRUAIRCQSXVAO-NSHDSACASA-N 2 2 262.357 0.972 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001038935348 850090368 /nfs/dbraw/zinc/09/03/68/850090368.db2.gz NBRUAIRCQSXVAO-NSHDSACASA-N 2 2 262.357 0.972 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccccn2)C1 ZINC001039007561 850116621 /nfs/dbraw/zinc/11/66/21/850116621.db2.gz QXMZIHLOBBSEKZ-ZFWWWQNUSA-N 2 2 288.395 0.724 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccccn2)C1 ZINC001039007561 850116626 /nfs/dbraw/zinc/11/66/26/850116626.db2.gz QXMZIHLOBBSEKZ-ZFWWWQNUSA-N 2 2 288.395 0.724 20 0 CCADLP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccn2)C1 ZINC001039007561 850116632 /nfs/dbraw/zinc/11/66/32/850116632.db2.gz QXMZIHLOBBSEKZ-ZFWWWQNUSA-N 2 2 288.395 0.724 20 0 CCADLP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccn2)C1 ZINC001039007561 850116637 /nfs/dbraw/zinc/11/66/37/850116637.db2.gz QXMZIHLOBBSEKZ-ZFWWWQNUSA-N 2 2 288.395 0.724 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2Cc2cncs2)C1 ZINC001039027318 850125851 /nfs/dbraw/zinc/12/58/51/850125851.db2.gz JOIKDSQMXQDMFB-NWDGAFQWSA-N 2 2 294.424 0.785 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2Cc2cncs2)C1 ZINC001039027318 850125854 /nfs/dbraw/zinc/12/58/54/850125854.db2.gz JOIKDSQMXQDMFB-NWDGAFQWSA-N 2 2 294.424 0.785 20 0 CCADLP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2cncs2)C1 ZINC001039027318 850125861 /nfs/dbraw/zinc/12/58/61/850125861.db2.gz JOIKDSQMXQDMFB-NWDGAFQWSA-N 2 2 294.424 0.785 20 0 CCADLP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@H+]2Cc2cncs2)C1 ZINC001039027318 850125866 /nfs/dbraw/zinc/12/58/66/850125866.db2.gz JOIKDSQMXQDMFB-NWDGAFQWSA-N 2 2 294.424 0.785 20 0 CCADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1cnc2n1CCOC2 ZINC000722821200 850160848 /nfs/dbraw/zinc/16/08/48/850160848.db2.gz QVRGTJSVCJEDGT-LLVKDONJSA-N 2 2 252.362 0.843 20 0 CCADLP COCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001042379068 850622132 /nfs/dbraw/zinc/62/21/32/850622132.db2.gz FVYPGXWEKYMVEB-KGLIPLIRSA-N 2 2 292.383 0.452 20 0 CCADLP COCC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001042379068 850622133 /nfs/dbraw/zinc/62/21/33/850622133.db2.gz FVYPGXWEKYMVEB-KGLIPLIRSA-N 2 2 292.383 0.452 20 0 CCADLP COCC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001042379070 850622168 /nfs/dbraw/zinc/62/21/68/850622168.db2.gz FVYPGXWEKYMVEB-ZIAGYGMSSA-N 2 2 292.383 0.452 20 0 CCADLP COCC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001042379070 850622169 /nfs/dbraw/zinc/62/21/69/850622169.db2.gz FVYPGXWEKYMVEB-ZIAGYGMSSA-N 2 2 292.383 0.452 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001043357519 850858725 /nfs/dbraw/zinc/85/87/25/850858725.db2.gz MKQIRCADXBBJLB-LBPRGKRZSA-N 2 2 280.372 0.369 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001043867087 850943981 /nfs/dbraw/zinc/94/39/81/850943981.db2.gz BFEJCGVPZYIKPQ-LBPRGKRZSA-N 2 2 269.389 0.260 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001043867087 850943984 /nfs/dbraw/zinc/94/39/84/850943984.db2.gz BFEJCGVPZYIKPQ-LBPRGKRZSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@]1(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC[N@H+](CCO)C1 ZINC001046433825 851502729 /nfs/dbraw/zinc/50/27/29/851502729.db2.gz ICZNUVKLBXLENT-WFASDCNBSA-N 2 2 292.383 0.018 20 0 CCADLP C[C@]1(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC[N@@H+](CCO)C1 ZINC001046433825 851502739 /nfs/dbraw/zinc/50/27/39/851502739.db2.gz ICZNUVKLBXLENT-WFASDCNBSA-N 2 2 292.383 0.018 20 0 CCADLP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001047525680 851800807 /nfs/dbraw/zinc/80/08/07/851800807.db2.gz YODNLNHIZKWDPI-DRZSPHRISA-N 2 2 292.383 0.353 20 0 CCADLP CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001047598988 851831124 /nfs/dbraw/zinc/83/11/24/851831124.db2.gz YMJFTNDEUSMPIM-RYUDHWBXSA-N 2 2 294.399 0.601 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1C[N@H+](CC2CC2)C[C@@H]1O ZINC001047612199 851835898 /nfs/dbraw/zinc/83/58/98/851835898.db2.gz ZUSJDHFFTJQXQI-KBPBESRZSA-N 2 2 292.383 0.174 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1C[N@@H+](CC2CC2)C[C@@H]1O ZINC001047612199 851835904 /nfs/dbraw/zinc/83/59/04/851835904.db2.gz ZUSJDHFFTJQXQI-KBPBESRZSA-N 2 2 292.383 0.174 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001048395492 851950605 /nfs/dbraw/zinc/95/06/05/851950605.db2.gz BTAZIKNBVHBFGI-GHMZBOCLSA-N 2 2 250.346 0.656 20 0 CCADLP COC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001049082941 852157617 /nfs/dbraw/zinc/15/76/17/852157617.db2.gz NBGMIBVHULDQHM-UPJWGTAASA-N 2 2 292.383 0.377 20 0 CCADLP COC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001049082941 852157621 /nfs/dbraw/zinc/15/76/21/852157621.db2.gz NBGMIBVHULDQHM-UPJWGTAASA-N 2 2 292.383 0.377 20 0 CCADLP C[C@@H](CC(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1)n1cc[nH+]c1 ZINC001049089439 852160630 /nfs/dbraw/zinc/16/06/30/852160630.db2.gz OCTFDFRKQHZCMI-MELADBBJSA-N 2 2 292.383 0.217 20 0 CCADLP C[C@@H](CC(=O)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1)n1cc[nH+]c1 ZINC001049089439 852160639 /nfs/dbraw/zinc/16/06/39/852160639.db2.gz OCTFDFRKQHZCMI-MELADBBJSA-N 2 2 292.383 0.217 20 0 CCADLP CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001049391029 852254813 /nfs/dbraw/zinc/25/48/13/852254813.db2.gz FYZAVRGMWDMWGI-MCIONIFRSA-N 2 2 281.400 0.402 20 0 CCADLP CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001049391029 852254817 /nfs/dbraw/zinc/25/48/17/852254817.db2.gz FYZAVRGMWDMWGI-MCIONIFRSA-N 2 2 281.400 0.402 20 0 CCADLP CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001049391029 852254824 /nfs/dbraw/zinc/25/48/24/852254824.db2.gz FYZAVRGMWDMWGI-MCIONIFRSA-N 2 2 281.400 0.402 20 0 CCADLP CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001049391029 852254835 /nfs/dbraw/zinc/25/48/35/852254835.db2.gz FYZAVRGMWDMWGI-MCIONIFRSA-N 2 2 281.400 0.402 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCO ZINC001049751344 852366760 /nfs/dbraw/zinc/36/67/60/852366760.db2.gz TZBUMUOMWORHEX-STQMWFEESA-N 2 2 278.356 0.010 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCO ZINC001049751344 852366768 /nfs/dbraw/zinc/36/67/68/852366768.db2.gz TZBUMUOMWORHEX-STQMWFEESA-N 2 2 278.356 0.010 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052747794 852649247 /nfs/dbraw/zinc/64/92/47/852649247.db2.gz IKWAOPAZGDTVQY-QWHCGFSZSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@@H](C)C[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052747794 852649249 /nfs/dbraw/zinc/64/92/49/852649249.db2.gz IKWAOPAZGDTVQY-QWHCGFSZSA-N 2 2 294.399 0.958 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)C1([NH+](C)C)CCC1)CCO2 ZINC001053287019 852723713 /nfs/dbraw/zinc/72/37/13/852723713.db2.gz IQRYBTGYPQVBQW-UHFFFAOYSA-N 2 2 281.400 0.404 20 0 CCADLP CC(C)[NH+]1CC2(C1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1C)CCO2 ZINC001053429974 852742011 /nfs/dbraw/zinc/74/20/11/852742011.db2.gz FMYBPEXCISCHNA-KBPBESRZSA-N 2 2 295.427 0.506 20 0 CCADLP CC(C)[NH+]1CC2(C1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)CCO2 ZINC001053429974 852742023 /nfs/dbraw/zinc/74/20/23/852742023.db2.gz FMYBPEXCISCHNA-KBPBESRZSA-N 2 2 295.427 0.506 20 0 CCADLP CC[NH2+][C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001054716963 853001175 /nfs/dbraw/zinc/00/11/75/853001175.db2.gz AKHYHVAXHKJDCE-JQWIXIFHSA-N 2 2 250.346 0.799 20 0 CCADLP CC[NH2+][C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001054716963 853001183 /nfs/dbraw/zinc/00/11/83/853001183.db2.gz AKHYHVAXHKJDCE-JQWIXIFHSA-N 2 2 250.346 0.799 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1[NH2+]CCF ZINC001054721056 853003957 /nfs/dbraw/zinc/00/39/57/853003957.db2.gz MQQPBSQHGQTKSR-PWSUYJOCSA-N 2 2 268.336 0.748 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CCF ZINC001054721056 853003963 /nfs/dbraw/zinc/00/39/63/853003963.db2.gz MQQPBSQHGQTKSR-PWSUYJOCSA-N 2 2 268.336 0.748 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC2(C1)CC[NH+](CCCO)CC2 ZINC001050771614 853426121 /nfs/dbraw/zinc/42/61/21/853426121.db2.gz ABFBELGHJLMEJH-UHFFFAOYSA-N 2 2 292.383 0.190 20 0 CCADLP CC(C)C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001050983762 853501135 /nfs/dbraw/zinc/50/11/35/853501135.db2.gz VSYQTHLOMOEDRV-GJZGRUSLSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001050983762 853501143 /nfs/dbraw/zinc/50/11/43/853501143.db2.gz VSYQTHLOMOEDRV-GJZGRUSLSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)C[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001050983762 853501151 /nfs/dbraw/zinc/50/11/51/853501151.db2.gz VSYQTHLOMOEDRV-GJZGRUSLSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)C[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001050983762 853501159 /nfs/dbraw/zinc/50/11/59/853501159.db2.gz VSYQTHLOMOEDRV-GJZGRUSLSA-N 2 2 297.443 0.944 20 0 CCADLP CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCO1 ZINC001051663822 853618288 /nfs/dbraw/zinc/61/82/88/853618288.db2.gz HSOVCSPMEDPSCX-QJPTWQEYSA-N 2 2 278.356 0.350 20 0 CCADLP CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCO1 ZINC001051663822 853618292 /nfs/dbraw/zinc/61/82/92/853618292.db2.gz HSOVCSPMEDPSCX-QJPTWQEYSA-N 2 2 278.356 0.350 20 0 CCADLP CC[NH2+]C[C@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)CCO1 ZINC001051851776 853650544 /nfs/dbraw/zinc/65/05/44/853650544.db2.gz SYPRGMBWIRTDHG-STQMWFEESA-N 2 2 280.372 0.671 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCO[C@H](C[NH2+]CC2CCC2)C1 ZINC001051952529 853662608 /nfs/dbraw/zinc/66/26/08/853662608.db2.gz ZPWNUPKXJXEZKA-CQSZACIVSA-N 2 2 292.383 0.500 20 0 CCADLP CC[NH+]1CCN([C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001052123446 853685082 /nfs/dbraw/zinc/68/50/82/853685082.db2.gz IRKDJCJDANOCDV-CQSZACIVSA-N 2 2 291.399 0.122 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1CC[NH3+] ZINC000388793905 853980600 /nfs/dbraw/zinc/98/06/00/853980600.db2.gz SFEIOOWXXUMOLU-ZIAGYGMSSA-N 3 2 273.421 0.129 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1CC[NH3+] ZINC000388793905 853980604 /nfs/dbraw/zinc/98/06/04/853980604.db2.gz SFEIOOWXXUMOLU-ZIAGYGMSSA-N 3 2 273.421 0.129 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000388793905 853980609 /nfs/dbraw/zinc/98/06/09/853980609.db2.gz SFEIOOWXXUMOLU-ZIAGYGMSSA-N 3 2 273.421 0.129 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000388793905 853980616 /nfs/dbraw/zinc/98/06/16/853980616.db2.gz SFEIOOWXXUMOLU-ZIAGYGMSSA-N 3 2 273.421 0.129 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC3(C2)CC[NH+](CCF)C3)C1 ZINC001073447354 854560331 /nfs/dbraw/zinc/56/03/31/854560331.db2.gz PCQBSPNFRVKNSB-CYBMUJFWSA-N 2 2 299.390 0.211 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC3(C2)CC[NH+](CCF)C3)C1 ZINC001073447354 854560343 /nfs/dbraw/zinc/56/03/43/854560343.db2.gz PCQBSPNFRVKNSB-CYBMUJFWSA-N 2 2 299.390 0.211 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC3(C2)CC[N@H+](CCF)C3)C1 ZINC001073447354 854560354 /nfs/dbraw/zinc/56/03/54/854560354.db2.gz PCQBSPNFRVKNSB-CYBMUJFWSA-N 2 2 299.390 0.211 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC3(C2)CC[N@@H+](CCF)C3)C1 ZINC001073447354 854560360 /nfs/dbraw/zinc/56/03/60/854560360.db2.gz PCQBSPNFRVKNSB-CYBMUJFWSA-N 2 2 299.390 0.211 20 0 CCADLP CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001074384917 854723593 /nfs/dbraw/zinc/72/35/93/854723593.db2.gz OSQWRJVOXYVETC-ZIAGYGMSSA-N 2 2 293.411 0.404 20 0 CCADLP CC[N@H+]1CCO[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC001074384917 854723600 /nfs/dbraw/zinc/72/36/00/854723600.db2.gz OSQWRJVOXYVETC-ZIAGYGMSSA-N 2 2 293.411 0.404 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CCF)CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001074718516 854770112 /nfs/dbraw/zinc/77/01/12/854770112.db2.gz WTHRJLONUNBQGD-XQQFMLRXSA-N 2 2 294.374 0.994 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@H]1C ZINC001074764850 854777066 /nfs/dbraw/zinc/77/70/66/854777066.db2.gz ZQLLUHXKYVIQPH-AGIUHOORSA-N 2 2 294.399 0.313 20 0 CCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCF)C12CC[NH+](CC1)C2 ZINC001098223716 854853302 /nfs/dbraw/zinc/85/33/02/854853302.db2.gz YEQPPNUDNVAHHO-UPJWGTAASA-N 2 2 281.375 0.773 20 0 CCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCF)C12CC[NH+](CC1)C2 ZINC001098223716 854853305 /nfs/dbraw/zinc/85/33/05/854853305.db2.gz YEQPPNUDNVAHHO-UPJWGTAASA-N 2 2 281.375 0.773 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001100094002 855097102 /nfs/dbraw/zinc/09/71/02/855097102.db2.gz FWDCVRLWOHZGJA-KBPBESRZSA-N 2 2 294.399 0.313 20 0 CCADLP CC(C)[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001100094002 855097108 /nfs/dbraw/zinc/09/71/08/855097108.db2.gz FWDCVRLWOHZGJA-KBPBESRZSA-N 2 2 294.399 0.313 20 0 CCADLP COCC[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001100419030 855163090 /nfs/dbraw/zinc/16/30/90/855163090.db2.gz MWMMQEHFFVOVGW-FIYWTHMPSA-N 2 2 292.383 0.644 20 0 CCADLP COCC[NH2+]C1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001100419030 855163097 /nfs/dbraw/zinc/16/30/97/855163097.db2.gz MWMMQEHFFVOVGW-FIYWTHMPSA-N 2 2 292.383 0.644 20 0 CCADLP CCOCC[NH2+]C1CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001100551509 855185974 /nfs/dbraw/zinc/18/59/74/855185974.db2.gz HTTPHUXFYVQVQS-UHFFFAOYSA-N 2 2 294.399 0.794 20 0 CCADLP CCC[N@@H+]1CCCC[C@@H]1C(=O)NCC(F)(F)C[NH3+] ZINC001118222153 856211302 /nfs/dbraw/zinc/21/13/02/856211302.db2.gz QMLDNKGOTGAHPQ-SNVBAGLBSA-N 2 2 263.332 0.961 20 0 CCADLP CCC[N@H+]1CCCC[C@@H]1C(=O)NCC(F)(F)C[NH3+] ZINC001118222153 856211316 /nfs/dbraw/zinc/21/13/16/856211316.db2.gz QMLDNKGOTGAHPQ-SNVBAGLBSA-N 2 2 263.332 0.961 20 0 CCADLP C[C@@H](C(=O)NCC1(C)CC[NH2+]CC1)n1cc[nH+]c1 ZINC001118280990 856241353 /nfs/dbraw/zinc/24/13/53/856241353.db2.gz DTNJOZSQXCUFPB-NSHDSACASA-N 2 2 250.346 0.950 20 0 CCADLP O=c1[nH]cccc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC001118958178 856507588 /nfs/dbraw/zinc/50/75/88/856507588.db2.gz BLGSVDNDTHFDPR-GFCCVEGCSA-N 2 2 251.330 0.334 20 0 CCADLP CC(=O)CCn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC001118979923 856516495 /nfs/dbraw/zinc/51/64/95/856516495.db2.gz ZGOYYDPWMBXFOG-UHFFFAOYSA-N 2 2 265.361 0.223 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC1([NH2+]CCO)CCCCC1 ZINC001120010393 856961364 /nfs/dbraw/zinc/96/13/64/856961364.db2.gz PTPOSOSWZFISIM-UHFFFAOYSA-N 2 2 294.399 0.364 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+]C[C@H](O)c1ccccn1 ZINC001120504692 857098266 /nfs/dbraw/zinc/09/82/66/857098266.db2.gz UCWSODDLPDSLGL-QWHCGFSZSA-N 2 2 253.346 0.017 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CC[N@@H+]1C[C@H]1CCOC1 ZINC001392866456 912213979 /nfs/dbraw/zinc/21/39/79/912213979.db2.gz ISCUXSWQPCQTDI-OLZOCXBDSA-N 2 2 292.383 0.190 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CC[N@H+]1C[C@H]1CCOC1 ZINC001392866456 912213995 /nfs/dbraw/zinc/21/39/95/912213995.db2.gz ISCUXSWQPCQTDI-OLZOCXBDSA-N 2 2 292.383 0.190 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC1([NH2+]CCC2CC2)CC1 ZINC001323555124 912413379 /nfs/dbraw/zinc/41/33/79/912413379.db2.gz NVRCLYDYCPPPEB-UHFFFAOYSA-N 2 2 262.357 0.991 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+]CC2CCC2)CC1 ZINC001323579260 912427616 /nfs/dbraw/zinc/42/76/16/912427616.db2.gz GVDUJAASARSMNT-UHFFFAOYSA-N 2 2 262.357 0.991 20 0 CCADLP C[C@H]([NH2+]CCO)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001393375109 912537814 /nfs/dbraw/zinc/53/78/14/912537814.db2.gz DTQONKFXJSKNFB-RYUDHWBXSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@H]([NH2+]CCO)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001393375109 912537834 /nfs/dbraw/zinc/53/78/34/912537834.db2.gz DTQONKFXJSKNFB-RYUDHWBXSA-N 2 2 280.372 0.161 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001393508281 912609672 /nfs/dbraw/zinc/60/96/72/912609672.db2.gz UMGZSFDNRLBERL-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP CC[N@H+]1CCOC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001393508281 912609678 /nfs/dbraw/zinc/60/96/78/912609678.db2.gz UMGZSFDNRLBERL-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+]1CCOC[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001393508281 912609683 /nfs/dbraw/zinc/60/96/83/912609683.db2.gz UMGZSFDNRLBERL-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+]1CCOC[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001393508281 912609687 /nfs/dbraw/zinc/60/96/87/912609687.db2.gz UMGZSFDNRLBERL-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CCOC2(C[NH+](CCC)C2)C1 ZINC001393651523 912701330 /nfs/dbraw/zinc/70/13/30/912701330.db2.gz HNOBRXWQLIUWDY-UHFFFAOYSA-N 2 2 283.416 0.651 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CCOC2(C[NH+](CCC)C2)C1 ZINC001393651523 912701350 /nfs/dbraw/zinc/70/13/50/912701350.db2.gz HNOBRXWQLIUWDY-UHFFFAOYSA-N 2 2 283.416 0.651 20 0 CCADLP C[C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[N@@H+]1CCO ZINC001393788679 912763389 /nfs/dbraw/zinc/76/33/89/912763389.db2.gz UUFUOWHYMDSJGZ-QWHCGFSZSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[N@H+]1CCO ZINC001393788679 912763402 /nfs/dbraw/zinc/76/34/02/912763402.db2.gz UUFUOWHYMDSJGZ-QWHCGFSZSA-N 2 2 280.372 0.235 20 0 CCADLP CC[NH+]1CCC(CO)(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001393843401 912792664 /nfs/dbraw/zinc/79/26/64/912792664.db2.gz HKACVZDGLLHMGU-UHFFFAOYSA-N 2 2 280.372 0.305 20 0 CCADLP CC[NH+]1CCC(CO)(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001393843401 912792681 /nfs/dbraw/zinc/79/26/81/912792681.db2.gz HKACVZDGLLHMGU-UHFFFAOYSA-N 2 2 280.372 0.305 20 0 CCADLP COC[C@H](C)[NH2+]CC1CC(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001393898725 912827399 /nfs/dbraw/zinc/82/73/99/912827399.db2.gz IPIGTDHZHRIPQY-DCBWTQNWSA-N 2 2 294.399 0.862 20 0 CCADLP COC[C@H](C)[NH2+]CC1CC(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001393898725 912827413 /nfs/dbraw/zinc/82/74/13/912827413.db2.gz IPIGTDHZHRIPQY-DCBWTQNWSA-N 2 2 294.399 0.862 20 0 CCADLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H](C)[NH2+]Cc1ccnn1C ZINC001393969965 912889517 /nfs/dbraw/zinc/88/95/17/912889517.db2.gz BNKHAKHBWPEWEN-GHMZBOCLSA-N 2 2 290.371 0.369 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1CC[NH+](CCCCO)CC1 ZINC001324872745 913076067 /nfs/dbraw/zinc/07/60/67/913076067.db2.gz PGQRPUXPNDINNY-OAHLLOKOSA-N 2 2 285.432 0.097 20 0 CCADLP C[C@@H](NC(=O)CCn1cc[nH+]c1)C1C[NH+](CCCO)C1 ZINC001394249963 913101680 /nfs/dbraw/zinc/10/16/80/913101680.db2.gz WNMHGJYGVPXBQQ-GFCCVEGCSA-N 2 2 280.372 0.092 20 0 CCADLP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1csnn1 ZINC001394559812 913257117 /nfs/dbraw/zinc/25/71/17/913257117.db2.gz ODQBFOJPDHDNTM-LLVKDONJSA-N 2 2 297.428 0.570 20 0 CCADLP CC[NH+]1CC(O)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001325317876 913339504 /nfs/dbraw/zinc/33/95/04/913339504.db2.gz GBYXNNDTJRWCIG-UHFFFAOYSA-N 2 2 269.389 0.045 20 0 CCADLP CN(C)c1ncccc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC001325313741 913340657 /nfs/dbraw/zinc/34/06/57/913340657.db2.gz BTRDWNLDQUGXRO-CQSZACIVSA-N 2 2 264.373 0.304 20 0 CCADLP CN(C)c1ncccc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC001325313741 913340673 /nfs/dbraw/zinc/34/06/73/913340673.db2.gz BTRDWNLDQUGXRO-CQSZACIVSA-N 2 2 264.373 0.304 20 0 CCADLP COCC[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H]1C ZINC001394686245 913367816 /nfs/dbraw/zinc/36/78/16/913367816.db2.gz BTVOPKJCMYHFEF-JSGCOSHPSA-N 2 2 294.399 0.958 20 0 CCADLP COCC[N@H+]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H]1C ZINC001394686245 913367833 /nfs/dbraw/zinc/36/78/33/913367833.db2.gz BTVOPKJCMYHFEF-JSGCOSHPSA-N 2 2 294.399 0.958 20 0 CCADLP COCC[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H]1C ZINC001394686245 913367866 /nfs/dbraw/zinc/36/78/66/913367866.db2.gz BTVOPKJCMYHFEF-JSGCOSHPSA-N 2 2 294.399 0.958 20 0 CCADLP COCC[N@H+]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H]1C ZINC001394686245 913367881 /nfs/dbraw/zinc/36/78/81/913367881.db2.gz BTVOPKJCMYHFEF-JSGCOSHPSA-N 2 2 294.399 0.958 20 0 CCADLP COCC[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H]1C ZINC001394686235 913368742 /nfs/dbraw/zinc/36/87/42/913368742.db2.gz BTVOPKJCMYHFEF-GXTWGEPZSA-N 2 2 294.399 0.958 20 0 CCADLP COCC[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H]1C ZINC001394686235 913368761 /nfs/dbraw/zinc/36/87/61/913368761.db2.gz BTVOPKJCMYHFEF-GXTWGEPZSA-N 2 2 294.399 0.958 20 0 CCADLP COCC[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H]1C ZINC001394686235 913368781 /nfs/dbraw/zinc/36/87/81/913368781.db2.gz BTVOPKJCMYHFEF-GXTWGEPZSA-N 2 2 294.399 0.958 20 0 CCADLP COCC[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H]1C ZINC001394686235 913368796 /nfs/dbraw/zinc/36/87/96/913368796.db2.gz BTVOPKJCMYHFEF-GXTWGEPZSA-N 2 2 294.399 0.958 20 0 CCADLP CC1=CCN(C(=O)NCC[NH+]2CCC([NH3+])CC2)CC1 ZINC001336939863 921117257 /nfs/dbraw/zinc/11/72/57/921117257.db2.gz AYOIGJRKDBQEFW-UHFFFAOYSA-N 2 2 266.389 0.771 20 0 CCADLP CC[N@H+](CCCO)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001480984178 892016509 /nfs/dbraw/zinc/01/65/09/892016509.db2.gz VHTWWDZWWBBTDG-CYBMUJFWSA-N 2 2 294.399 0.266 20 0 CCADLP CC[N@@H+](CCCO)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001480984178 892016521 /nfs/dbraw/zinc/01/65/21/892016521.db2.gz VHTWWDZWWBBTDG-CYBMUJFWSA-N 2 2 294.399 0.266 20 0 CCADLP CN(CC[NH2+]CCF)C(=O)c1cccc2[nH+]ccn21 ZINC001481256771 892442492 /nfs/dbraw/zinc/44/24/92/892442492.db2.gz SOPSPBKSFRBMLF-UHFFFAOYSA-N 2 2 264.304 0.965 20 0 CCADLP CN(CC[NH2+]C/C=C\Cl)C(=O)Cc1c[nH+]cn1C ZINC001481304347 892554465 /nfs/dbraw/zinc/55/44/65/892554465.db2.gz QSIQEQXHORDXTA-ARJAWSKDSA-N 2 2 270.764 0.763 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001481589144 892875494 /nfs/dbraw/zinc/87/54/94/892875494.db2.gz JQPYFVYIAOREOQ-LBPRGKRZSA-N 2 2 294.399 0.807 20 0 CCADLP C[NH2+]C1CC(C(=O)N(C)CCCn2cc[nH+]c2)C1 ZINC001343592998 892943930 /nfs/dbraw/zinc/94/39/30/892943930.db2.gz LKGSCUWOXYTECN-UHFFFAOYSA-N 2 2 250.346 0.730 20 0 CCADLP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CCn1cccn1 ZINC001481859296 893217310 /nfs/dbraw/zinc/21/73/10/893217310.db2.gz YAVIDYKPQWCEBN-LBPRGKRZSA-N 2 2 290.371 0.333 20 0 CCADLP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cnsn1 ZINC001481879868 893239742 /nfs/dbraw/zinc/23/97/42/893239742.db2.gz ZWIZZJDNECFOQW-NSHDSACASA-N 2 2 297.428 0.618 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@@H]1C[NH2+]CCO ZINC001482058085 893338243 /nfs/dbraw/zinc/33/82/43/893338243.db2.gz HCXMJOZJIPVZSV-IJLUTSLNSA-N 2 2 278.356 0.086 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@@H]1C[NH2+]CCO ZINC001482058085 893338260 /nfs/dbraw/zinc/33/82/60/893338260.db2.gz HCXMJOZJIPVZSV-IJLUTSLNSA-N 2 2 278.356 0.086 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]Cc1ccnn1C ZINC001482144953 893437343 /nfs/dbraw/zinc/43/73/43/893437343.db2.gz LZPRPGICVKYYFE-NSHDSACASA-N 2 2 290.371 0.228 20 0 CCADLP O[C@@H](C[NH2+]CCn1cc[nH+]c1)COC1CCOCC1 ZINC001326147917 913776130 /nfs/dbraw/zinc/77/61/30/913776130.db2.gz VKUVUKPCLHITMA-LBPRGKRZSA-N 2 2 269.345 0.029 20 0 CCADLP CNC(=O)[C@H]1CC[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC001363641448 893781044 /nfs/dbraw/zinc/78/10/44/893781044.db2.gz MHGPLPFNOVHNOR-JTQLQIEISA-N 2 2 282.413 0.773 20 0 CCADLP CNC(=O)[C@H]1CC[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC001363641448 893781050 /nfs/dbraw/zinc/78/10/50/893781050.db2.gz MHGPLPFNOVHNOR-JTQLQIEISA-N 2 2 282.413 0.773 20 0 CCADLP Cc1cc(C[NH2+]C[C@H](C)N(C)C(=O)Cn2cc[nH+]c2)on1 ZINC001482371976 893926822 /nfs/dbraw/zinc/92/68/22/893926822.db2.gz BQVONOSLARSFOE-LBPRGKRZSA-N 2 2 291.355 0.816 20 0 CCADLP CO[C@@H](C)C[N@H+](C)CCN(C)C(=O)CCc1c[nH+]cn1C ZINC001482646296 894444308 /nfs/dbraw/zinc/44/43/08/894444308.db2.gz ZMUXWQOWTFUFJH-ZDUSSCGKSA-N 2 2 296.415 0.778 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)CCN(C)C(=O)CCc1c[nH+]cn1C ZINC001482646296 894444313 /nfs/dbraw/zinc/44/43/13/894444313.db2.gz ZMUXWQOWTFUFJH-ZDUSSCGKSA-N 2 2 296.415 0.778 20 0 CCADLP C[C@H](CC(=O)N1CC[C@H](CC[NH2+]CCO)C1)n1cc[nH+]c1 ZINC001326384820 913925995 /nfs/dbraw/zinc/92/59/95/913925995.db2.gz VRIBLOVLUXAMGY-KGLIPLIRSA-N 2 2 294.399 0.655 20 0 CCADLP CCCC[NH+]1CC(CCO)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001409739260 895356773 /nfs/dbraw/zinc/35/67/73/895356773.db2.gz QQRORGKZVOTWPN-CYBMUJFWSA-N 2 2 283.416 0.434 20 0 CCADLP CCCC[NH+]1CC(CCO)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001409739260 895356786 /nfs/dbraw/zinc/35/67/86/895356786.db2.gz QQRORGKZVOTWPN-CYBMUJFWSA-N 2 2 283.416 0.434 20 0 CCADLP Cc1nonc1C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001483241445 895371553 /nfs/dbraw/zinc/37/15/53/895371553.db2.gz YEJBRDJMDIFKDJ-GXFFZTMASA-N 2 2 295.387 0.457 20 0 CCADLP Cc1nonc1C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001483241445 895371565 /nfs/dbraw/zinc/37/15/65/895371565.db2.gz YEJBRDJMDIFKDJ-GXFFZTMASA-N 2 2 295.387 0.457 20 0 CCADLP C[C@@H](C[NH2+]C[C@H]1CCOC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001483270165 895400482 /nfs/dbraw/zinc/40/04/82/895400482.db2.gz MSKYNZMKFLWDKM-WDEREUQCSA-N 2 2 266.345 0.083 20 0 CCADLP C[C@@H](C[NH2+]C[C@H]1CCOC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001483278294 895409245 /nfs/dbraw/zinc/40/92/45/895409245.db2.gz YXCOGSOHWMCHOW-WDEREUQCSA-N 2 2 266.345 0.083 20 0 CCADLP CO[C@H](C)C[N@H+](C)C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001483415919 895551158 /nfs/dbraw/zinc/55/11/58/895551158.db2.gz RLFHWACLTIYLPC-CHWSQXEVSA-N 2 2 296.415 0.824 20 0 CCADLP CO[C@H](C)C[N@@H+](C)C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001483415919 895551174 /nfs/dbraw/zinc/55/11/74/895551174.db2.gz RLFHWACLTIYLPC-CHWSQXEVSA-N 2 2 296.415 0.824 20 0 CCADLP CN(CCC[NH2+]Cc1ccon1)C(=O)Cc1c[nH+]c[nH]1 ZINC001483495268 895611243 /nfs/dbraw/zinc/61/12/43/895611243.db2.gz VARVVOSLZKPGDM-UHFFFAOYSA-N 2 2 277.328 0.579 20 0 CCADLP CS(=O)(=O)CCCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC001326583832 914030894 /nfs/dbraw/zinc/03/08/94/914030894.db2.gz 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C[C@H]([NH2+]CCO)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001378909785 905882119 /nfs/dbraw/zinc/88/21/19/905882119.db2.gz HRFZDMPHXJHIGC-NWDGAFQWSA-N 2 2 280.372 0.161 20 0 CCADLP CC(C)[NH2+]C[C@@H](O)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001379813297 906492268 /nfs/dbraw/zinc/49/22/68/906492268.db2.gz ZZRSIAYSTFEJBU-GFCCVEGCSA-N 2 2 290.367 0.994 20 0 CCADLP C[C@H]1CC[N@H+](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001293958778 906535952 /nfs/dbraw/zinc/53/59/52/906535952.db2.gz GTGYEITYPZUBKD-NSHDSACASA-N 2 2 250.346 0.800 20 0 CCADLP C[C@H]1CC[N@@H+](CCNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001293958778 906535968 /nfs/dbraw/zinc/53/59/68/906535968.db2.gz GTGYEITYPZUBKD-NSHDSACASA-N 2 2 250.346 0.800 20 0 CCADLP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1Cc1ccnn1C ZINC001380008697 906584530 /nfs/dbraw/zinc/58/45/30/906584530.db2.gz HUEQIVPSLGOMIJ-ZDUSSCGKSA-N 2 2 293.415 0.452 20 0 CCADLP CC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1Cc1ccnn1C ZINC001380008697 906584539 /nfs/dbraw/zinc/58/45/39/906584539.db2.gz HUEQIVPSLGOMIJ-ZDUSSCGKSA-N 2 2 293.415 0.452 20 0 CCADLP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccnn1C ZINC001380008697 906584548 /nfs/dbraw/zinc/58/45/48/906584548.db2.gz HUEQIVPSLGOMIJ-ZDUSSCGKSA-N 2 2 293.415 0.452 20 0 CCADLP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1Cc1ccnn1C ZINC001380008697 906584552 /nfs/dbraw/zinc/58/45/52/906584552.db2.gz HUEQIVPSLGOMIJ-ZDUSSCGKSA-N 2 2 293.415 0.452 20 0 CCADLP Cc1nocc1C[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001380018655 906590099 /nfs/dbraw/zinc/59/00/99/906590099.db2.gz SGDOBVTYLVMIEX-ZDUSSCGKSA-N 2 2 280.372 0.625 20 0 CCADLP Cc1nocc1C[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001380018655 906590108 /nfs/dbraw/zinc/59/01/08/906590108.db2.gz SGDOBVTYLVMIEX-ZDUSSCGKSA-N 2 2 280.372 0.625 20 0 CCADLP [NH3+]Cc1nccnc1N[C@H]1CCC[N@H+](CCF)C1 ZINC001337707433 921287128 /nfs/dbraw/zinc/28/71/28/921287128.db2.gz MJYUKGQJQIPVQX-JTQLQIEISA-N 2 2 253.325 0.781 20 0 CCADLP [NH3+]Cc1nccnc1N[C@H]1CCC[N@@H+](CCF)C1 ZINC001337707433 921287129 /nfs/dbraw/zinc/28/71/29/921287129.db2.gz MJYUKGQJQIPVQX-JTQLQIEISA-N 2 2 253.325 0.781 20 0 CCADLP C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccnn1C ZINC001381222108 907124584 /nfs/dbraw/zinc/12/45/84/907124584.db2.gz WDCAKZHKNKVIHF-NSHDSACASA-N 2 2 290.371 0.370 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNc1nccnc1C[NH3+] ZINC001337836796 921297552 /nfs/dbraw/zinc/29/75/52/921297552.db2.gz HWYQMUYZANYMCT-JTQLQIEISA-N 2 2 251.334 0.068 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNc1nccnc1C[NH3+] ZINC001337836796 921297554 /nfs/dbraw/zinc/29/75/54/921297554.db2.gz HWYQMUYZANYMCT-JTQLQIEISA-N 2 2 251.334 0.068 20 0 CCADLP C[C@@H](O)C[N@H+](C)C[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001381300631 907147851 /nfs/dbraw/zinc/14/78/51/907147851.db2.gz JGEHFLTVLSDBDE-ZIAGYGMSSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001381300631 907147856 /nfs/dbraw/zinc/14/78/56/907147856.db2.gz JGEHFLTVLSDBDE-ZIAGYGMSSA-N 2 2 294.399 0.577 20 0 CCADLP CCn1ccc(C[N@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C)n1 ZINC001381562441 907296673 /nfs/dbraw/zinc/29/66/73/907296673.db2.gz FKGJEERTKRFYKU-CYBMUJFWSA-N 2 2 295.431 0.791 20 0 CCADLP CCn1ccc(C[N@@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C)n1 ZINC001381562441 907296697 /nfs/dbraw/zinc/29/66/97/907296697.db2.gz FKGJEERTKRFYKU-CYBMUJFWSA-N 2 2 295.431 0.791 20 0 CCADLP CC(C)OCC[NH+]1CC([C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001381837678 907421096 /nfs/dbraw/zinc/42/10/96/907421096.db2.gz ZTJHVDIIFLZWOQ-ZDUSSCGKSA-N 2 2 294.399 0.745 20 0 CCADLP Cc1cncc(C[NH2+][C@@H](C)CNC(=O)Cn2cc[nH+]c2)c1 ZINC001491695023 907506847 /nfs/dbraw/zinc/50/68/47/907506847.db2.gz XGRDNCMRBHIZCK-ZDUSSCGKSA-N 2 2 287.367 0.881 20 0 CCADLP COC[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001382083420 907540918 /nfs/dbraw/zinc/54/09/18/907540918.db2.gz CFKLNOIHAJMKJL-RYUDHWBXSA-N 2 2 282.388 0.814 20 0 CCADLP COC[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001382083420 907540932 /nfs/dbraw/zinc/54/09/32/907540932.db2.gz CFKLNOIHAJMKJL-RYUDHWBXSA-N 2 2 282.388 0.814 20 0 CCADLP Cc1ncoc1C[NH2+][C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001382165171 907583470 /nfs/dbraw/zinc/58/34/70/907583470.db2.gz QHMACCMDAZMRFC-NSHDSACASA-N 2 2 291.355 0.816 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1CCC[C@@H]([NH2+]CCO)C1 ZINC001491883316 907623199 /nfs/dbraw/zinc/62/31/99/907623199.db2.gz NYFNCIAZAPYKEP-OLZOCXBDSA-N 2 2 294.399 0.362 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@@H](CO)[NH2+]C/C=C/Cl ZINC001382244757 907638871 /nfs/dbraw/zinc/63/88/71/907638871.db2.gz YPDPGSBRTHFOIB-VEPLAOFISA-N 2 2 286.763 0.092 20 0 CCADLP COCC[NH2+][C@H](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001492110816 907708817 /nfs/dbraw/zinc/70/88/17/907708817.db2.gz SBWJVASGIVUCHK-LLVKDONJSA-N 2 2 268.361 0.093 20 0 CCADLP CN(C[C@@H](O)C[N@H+](C)CC1CCC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001382470149 907758078 /nfs/dbraw/zinc/75/80/78/907758078.db2.gz DNQOGPKAOAREAX-ZDUSSCGKSA-N 2 2 294.399 0.503 20 0 CCADLP CN(C[C@@H](O)C[N@@H+](C)CC1CCC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001382470149 907758087 /nfs/dbraw/zinc/75/80/87/907758087.db2.gz DNQOGPKAOAREAX-ZDUSSCGKSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)Cn1cc[nH+]c1 ZINC001338463875 908213059 /nfs/dbraw/zinc/21/30/59/908213059.db2.gz XJXCAPDWIOTAFQ-UONOGXRCSA-N 3 2 266.389 0.566 20 0 CCADLP CC[N@@H+]1CCC[C@H]([NH2+]CCNC(=O)c2ccn[nH]2)C1 ZINC001308637826 908425185 /nfs/dbraw/zinc/42/51/85/908425185.db2.gz RLTKAKYJSFJGCK-NSHDSACASA-N 2 2 265.361 0.213 20 0 CCADLP CC[N@H+]1CCC[C@H]([NH2+]CCNC(=O)c2ccn[nH]2)C1 ZINC001308637826 908425192 /nfs/dbraw/zinc/42/51/92/908425192.db2.gz RLTKAKYJSFJGCK-NSHDSACASA-N 2 2 265.361 0.213 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC001340181822 908509692 /nfs/dbraw/zinc/50/96/92/908509692.db2.gz KHKSENQHDVQVNI-GMTAPVOTSA-N 2 2 250.346 0.832 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC001340181822 908509701 /nfs/dbraw/zinc/50/97/01/908509701.db2.gz KHKSENQHDVQVNI-GMTAPVOTSA-N 2 2 250.346 0.832 20 0 CCADLP CCOCC[NH2+][C@@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001317367044 909161460 /nfs/dbraw/zinc/16/14/60/909161460.db2.gz XBKSWYDUFYKSPJ-KGLIPLIRSA-N 2 2 294.399 0.937 20 0 CCADLP C[C@H](O)C[NH2+]CCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001317609694 909402348 /nfs/dbraw/zinc/40/23/48/909402348.db2.gz BLHLEZIGNJIJOV-NSHDSACASA-N 2 2 276.340 0.377 20 0 CCADLP C[C@@H](C[NH2+]C[C@H]1CCCC[N@H+](C)C1)S(C)(=O)=O ZINC001338519750 921496769 /nfs/dbraw/zinc/49/67/69/921496769.db2.gz MVVWKRPCCJOOSQ-NWDGAFQWSA-N 2 2 262.419 0.741 20 0 CCADLP C[C@@H](C[NH2+]C[C@H]1CCCC[N@@H+](C)C1)S(C)(=O)=O ZINC001338519750 921496780 /nfs/dbraw/zinc/49/67/80/921496780.db2.gz MVVWKRPCCJOOSQ-NWDGAFQWSA-N 2 2 262.419 0.741 20 0 CCADLP CC[N@H+](C)CCC(=O)NCC[NH+](C)Cc1ccnn1C ZINC001492483878 909469264 /nfs/dbraw/zinc/46/92/64/909469264.db2.gz KMQTZNJQJOFRIJ-UHFFFAOYSA-N 2 2 281.404 0.310 20 0 CCADLP CC[N@@H+](C)CCC(=O)NCC[NH+](C)Cc1ccnn1C ZINC001492483878 909469274 /nfs/dbraw/zinc/46/92/74/909469274.db2.gz KMQTZNJQJOFRIJ-UHFFFAOYSA-N 2 2 281.404 0.310 20 0 CCADLP CC[NH+](C)CCC(=O)NCC[N@H+](C)Cc1ccnn1C ZINC001492483878 909469288 /nfs/dbraw/zinc/46/92/88/909469288.db2.gz KMQTZNJQJOFRIJ-UHFFFAOYSA-N 2 2 281.404 0.310 20 0 CCADLP CC[NH+](C)CCC(=O)NCC[N@@H+](C)Cc1ccnn1C ZINC001492483878 909469295 /nfs/dbraw/zinc/46/92/95/909469295.db2.gz KMQTZNJQJOFRIJ-UHFFFAOYSA-N 2 2 281.404 0.310 20 0 CCADLP COCCC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317856945 909527834 /nfs/dbraw/zinc/52/78/34/909527834.db2.gz LIWXCUFXNPWRKG-ZDUSSCGKSA-N 2 2 294.399 0.769 20 0 CCADLP COCCC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317856945 909527848 /nfs/dbraw/zinc/52/78/48/909527848.db2.gz LIWXCUFXNPWRKG-ZDUSSCGKSA-N 2 2 294.399 0.769 20 0 CCADLP COCCC[NH+]1CC(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001318071018 909607906 /nfs/dbraw/zinc/60/79/06/909607906.db2.gz JLCJDFHKRGZFOF-UHFFFAOYSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@H](C(=O)NCC[N@@H+]1CC[C@@H](C)C1)n1cc[nH+]c1 ZINC001318882919 909911578 /nfs/dbraw/zinc/91/15/78/909911578.db2.gz ZRKFIKXALBPADY-VXGBXAGGSA-N 2 2 250.346 0.902 20 0 CCADLP C[C@H](C(=O)NCC[N@H+]1CC[C@@H](C)C1)n1cc[nH+]c1 ZINC001318882919 909911593 /nfs/dbraw/zinc/91/15/93/909911593.db2.gz ZRKFIKXALBPADY-VXGBXAGGSA-N 2 2 250.346 0.902 20 0 CCADLP Cc1ncc(C[N@H+]2CC[C@H](NC(=O)CC[NH+](C)C)C2)cn1 ZINC001389487603 909932663 /nfs/dbraw/zinc/93/26/63/909932663.db2.gz NFYIYNFBDUFBND-AWEZNQCLSA-N 2 2 291.399 0.427 20 0 CCADLP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)CC[NH+](C)C)C2)cn1 ZINC001389487603 909932670 /nfs/dbraw/zinc/93/26/70/909932670.db2.gz NFYIYNFBDUFBND-AWEZNQCLSA-N 2 2 291.399 0.427 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H](CNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001389683020 910026519 /nfs/dbraw/zinc/02/65/19/910026519.db2.gz AKHFZODFQLJJJQ-RISCZKNCSA-N 2 2 294.399 0.482 20 0 CCADLP COCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001319209311 910038740 /nfs/dbraw/zinc/03/87/40/910038740.db2.gz OQOVJPBUFXHIRX-STQMWFEESA-N 2 2 294.399 0.434 20 0 CCADLP C[C@@H](C[NH2+]CCCF)N(C)C(=O)Cc1c[nH+]cn1C ZINC001319561247 910203539 /nfs/dbraw/zinc/20/35/39/910203539.db2.gz VBNFFDPWMIQXRP-NSHDSACASA-N 2 2 270.352 0.759 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H](C)C[NH2+]C[C@H](C)O ZINC001319576006 910211960 /nfs/dbraw/zinc/21/19/60/910211960.db2.gz KDVSWDYIOVSSCH-ZJUUUORDSA-N 2 2 268.361 0.078 20 0 CCADLP Cc1cc(C[NH2+][C@@H](C)CNC(=O)Cn2c[nH+]cc2C)on1 ZINC001390436454 910413565 /nfs/dbraw/zinc/41/35/65/910413565.db2.gz LARFAMARGYZEFR-NSHDSACASA-N 2 2 291.355 0.782 20 0 CCADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1cnns1 ZINC001390454129 910430940 /nfs/dbraw/zinc/43/09/40/910430940.db2.gz HCYFVOKDZCWBPU-SNVBAGLBSA-N 2 2 294.384 0.419 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]C[C@@H]1CCCOC1 ZINC001390496581 910466627 /nfs/dbraw/zinc/46/66/27/910466627.db2.gz TXQSTOCPTJZBRA-NEPJUHHUSA-N 2 2 280.372 0.473 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]C[C@@H]1CCCOC1 ZINC001390496584 910469070 /nfs/dbraw/zinc/46/90/70/910469070.db2.gz TXQSTOCPTJZBRA-RYUDHWBXSA-N 2 2 280.372 0.473 20 0 CCADLP COC[C@H](C)[N@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001390630207 910553103 /nfs/dbraw/zinc/55/31/03/910553103.db2.gz VDGQZXNYNJPOCI-JSGCOSHPSA-N 2 2 294.399 0.910 20 0 CCADLP COC[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001390630207 910553114 /nfs/dbraw/zinc/55/31/14/910553114.db2.gz VDGQZXNYNJPOCI-JSGCOSHPSA-N 2 2 294.399 0.910 20 0 CCADLP C[N@@H+](C/C=C/Cl)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001390742075 910638185 /nfs/dbraw/zinc/63/81/85/910638185.db2.gz LERDYKCPGODZST-PGLGOXFNSA-N 2 2 275.780 0.118 20 0 CCADLP C[N@H+](C/C=C/Cl)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001390742075 910638199 /nfs/dbraw/zinc/63/81/99/910638199.db2.gz LERDYKCPGODZST-PGLGOXFNSA-N 2 2 275.780 0.118 20 0 CCADLP C[NH+](C/C=C/Cl)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001390742075 910638209 /nfs/dbraw/zinc/63/82/09/910638209.db2.gz LERDYKCPGODZST-PGLGOXFNSA-N 2 2 275.780 0.118 20 0 CCADLP C[NH+](C/C=C/Cl)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001390742075 910638217 /nfs/dbraw/zinc/63/82/17/910638217.db2.gz LERDYKCPGODZST-PGLGOXFNSA-N 2 2 275.780 0.118 20 0 CCADLP O=c1cc2c(n[nH]1)CC[N@H+](CCCn1cc[nH+]c1)C2 ZINC001320417993 910665252 /nfs/dbraw/zinc/66/52/52/910665252.db2.gz QMEAVBOXDDRESB-UHFFFAOYSA-N 2 2 259.313 0.827 20 0 CCADLP O=c1cc2c(n[nH]1)CC[N@@H+](CCCn1cc[nH+]c1)C2 ZINC001320417993 910665280 /nfs/dbraw/zinc/66/52/80/910665280.db2.gz QMEAVBOXDDRESB-UHFFFAOYSA-N 2 2 259.313 0.827 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@H+](C)Cc1ccnn1C)[NH+](C)C ZINC001390809125 910697657 /nfs/dbraw/zinc/69/76/57/910697657.db2.gz GORZZKNUODNSMC-CQSZACIVSA-N 2 2 295.431 0.554 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@@H+](C)Cc1ccnn1C)[NH+](C)C ZINC001390809125 910697662 /nfs/dbraw/zinc/69/76/62/910697662.db2.gz GORZZKNUODNSMC-CQSZACIVSA-N 2 2 295.431 0.554 20 0 CCADLP CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C[C@H](C)O ZINC001390966870 910800150 /nfs/dbraw/zinc/80/01/50/910800150.db2.gz UCKUOFPPECQKDH-YNEHKIRRSA-N 2 2 294.399 0.343 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C[C@H](C)O ZINC001390966870 910800173 /nfs/dbraw/zinc/80/01/73/910800173.db2.gz UCKUOFPPECQKDH-YNEHKIRRSA-N 2 2 294.399 0.343 20 0 CCADLP CC[NH2+]C/C=C\CNC(=O)Cc1c[nH+]ccc1OC ZINC001321108191 911088994 /nfs/dbraw/zinc/08/89/94/911088994.db2.gz DKICIYRZGJFFDA-PLNGDYQASA-N 2 2 263.341 0.915 20 0 CCADLP O=C(NCC[NH+]1CCC(O)CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001417869780 921654546 /nfs/dbraw/zinc/65/45/46/921654546.db2.gz YWNBMIXZSNOKNE-LBPRGKRZSA-N 2 2 292.383 0.018 20 0 CCADLP COCC[NH2+]C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001321919626 911568906 /nfs/dbraw/zinc/56/89/06/911568906.db2.gz FOZXHRHHWPLDAZ-NSHDSACASA-N 2 2 276.340 0.689 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@@H](O)C[NH2+]C(C)C)c[nH+]1 ZINC001392397071 911786035 /nfs/dbraw/zinc/78/60/35/911786035.db2.gz XQQJDCATKGBCMK-LBPRGKRZSA-N 2 2 282.388 0.402 20 0 CCADLP CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1cnsn1)[NH+](C)C ZINC001392512065 911875354 /nfs/dbraw/zinc/87/53/54/911875354.db2.gz NHMPXAKHZLWOMT-KOLCDFICSA-N 2 2 285.417 0.473 20 0 CCADLP COCCO[C@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC001323084569 912106191 /nfs/dbraw/zinc/10/61/91/912106191.db2.gz DILDKCPENJSVCH-CABCVRRESA-N 2 2 286.416 0.571 20 0 CCADLP COCCO[C@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC001323084569 912106201 /nfs/dbraw/zinc/10/62/01/912106201.db2.gz DILDKCPENJSVCH-CABCVRRESA-N 2 2 286.416 0.571 20 0 CCADLP Cc1nonc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001398950662 914970255 /nfs/dbraw/zinc/97/02/55/914970255.db2.gz JFJDHOPPBROWNI-GWCFXTLKSA-N 2 2 295.387 0.457 20 0 CCADLP Cc1nonc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001398950662 914970267 /nfs/dbraw/zinc/97/02/67/914970267.db2.gz JFJDHOPPBROWNI-GWCFXTLKSA-N 2 2 295.387 0.457 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001399252202 915095637 /nfs/dbraw/zinc/09/56/37/915095637.db2.gz SFUOIGHZCLDZQZ-YPMHNXCESA-N 2 2 294.399 0.734 20 0 CCADLP CC[C@@H](F)C[N@H+](C)CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001399660200 915304379 /nfs/dbraw/zinc/30/43/79/915304379.db2.gz OMLVPMOXHKPUAS-CHWSQXEVSA-N 2 2 289.395 0.503 20 0 CCADLP CC[C@@H](F)C[N@@H+](C)CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001399660200 915304399 /nfs/dbraw/zinc/30/43/99/915304399.db2.gz OMLVPMOXHKPUAS-CHWSQXEVSA-N 2 2 289.395 0.503 20 0 CCADLP CC[C@@H](F)C[NH+](C)CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001399660200 915304419 /nfs/dbraw/zinc/30/44/19/915304419.db2.gz OMLVPMOXHKPUAS-CHWSQXEVSA-N 2 2 289.395 0.503 20 0 CCADLP CC[C@@H](F)C[NH+](C)CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001399660200 915304437 /nfs/dbraw/zinc/30/44/37/915304437.db2.gz OMLVPMOXHKPUAS-CHWSQXEVSA-N 2 2 289.395 0.503 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001418014396 921765439 /nfs/dbraw/zinc/76/54/39/921765439.db2.gz PUBVLDWNFMIEOJ-AAEUAGOBSA-N 2 2 280.372 0.402 20 0 CCADLP C[C@H](CCC[NH3+])NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001329108400 915676954 /nfs/dbraw/zinc/67/69/54/915676954.db2.gz WXJNRJWAKDSZTN-GHMZBOCLSA-N 2 2 250.346 0.689 20 0 CCADLP C[NH2+]CC1CCN(C(=O)[C@@H](C)n2cc[nH+]c2)CC1 ZINC001329561539 916010493 /nfs/dbraw/zinc/01/04/93/916010493.db2.gz LAZLPZWNZRIOOK-LLVKDONJSA-N 2 2 250.346 0.902 20 0 CCADLP CC(C)(C)[NH2+]CC(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC001329805771 916197432 /nfs/dbraw/zinc/19/74/32/916197432.db2.gz XTOYDLBYVAJGIH-SNVBAGLBSA-N 2 2 250.346 0.702 20 0 CCADLP C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1C[NH+](CCCF)C1 ZINC001330054357 916385488 /nfs/dbraw/zinc/38/54/88/916385488.db2.gz OGJHEHHYYWBUSE-JTQLQIEISA-N 2 2 268.336 0.748 20 0 CCADLP C[C@@H](C[NH2+]Cc1cncc(F)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001401706299 916499249 /nfs/dbraw/zinc/49/92/49/916499249.db2.gz KRALEKDAIVJOQK-JTQLQIEISA-N 2 2 291.330 0.781 20 0 CCADLP COCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001330364664 916582273 /nfs/dbraw/zinc/58/22/73/916582273.db2.gz NMJVNJKLXDRMLD-ZSOGYDGISA-N 2 2 292.383 0.214 20 0 CCADLP COCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001330364664 916582291 /nfs/dbraw/zinc/58/22/91/916582291.db2.gz NMJVNJKLXDRMLD-ZSOGYDGISA-N 2 2 292.383 0.214 20 0 CCADLP Cc1cc(C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]2CC[NH+](C)C2)no1 ZINC001401803206 916597413 /nfs/dbraw/zinc/59/74/13/916597413.db2.gz KJJAXFMGLFVNFR-WCQYABFASA-N 2 2 294.399 0.871 20 0 CCADLP Cc1cc(C[N@H+](C)C[C@H](C)NC(=O)[C@@H]2CC[NH+](C)C2)no1 ZINC001401803206 916597420 /nfs/dbraw/zinc/59/74/20/916597420.db2.gz KJJAXFMGLFVNFR-WCQYABFASA-N 2 2 294.399 0.871 20 0 CCADLP Cc1cc(C[NH+](C)C[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)no1 ZINC001401803206 916597427 /nfs/dbraw/zinc/59/74/27/916597427.db2.gz KJJAXFMGLFVNFR-WCQYABFASA-N 2 2 294.399 0.871 20 0 CCADLP Cc1cc(C[NH+](C)C[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)no1 ZINC001401803206 916597438 /nfs/dbraw/zinc/59/74/38/916597438.db2.gz KJJAXFMGLFVNFR-WCQYABFASA-N 2 2 294.399 0.871 20 0 CCADLP C[C@H](C[N@@H+](C)CCC[C@H](C)O)NC(=O)Cn1cc[nH+]c1 ZINC001401812518 916608329 /nfs/dbraw/zinc/60/83/29/916608329.db2.gz BOEMMVHMEXCONI-OLZOCXBDSA-N 2 2 282.388 0.481 20 0 CCADLP C[C@H](C[N@H+](C)CCC[C@H](C)O)NC(=O)Cn1cc[nH+]c1 ZINC001401812518 916608336 /nfs/dbraw/zinc/60/83/36/916608336.db2.gz BOEMMVHMEXCONI-OLZOCXBDSA-N 2 2 282.388 0.481 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001401908746 916683759 /nfs/dbraw/zinc/68/37/59/916683759.db2.gz NJXQDAQZKPMSEM-TZMCWYRMSA-N 2 2 294.399 0.578 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001401908746 916683762 /nfs/dbraw/zinc/68/37/62/916683762.db2.gz NJXQDAQZKPMSEM-TZMCWYRMSA-N 2 2 294.399 0.578 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@]1(O)CC[N@@H+](CC(C)C)C1 ZINC001402325239 916958579 /nfs/dbraw/zinc/95/85/79/916958579.db2.gz ZTMGAFZTHHZLDO-OAHLLOKOSA-N 2 2 294.399 0.470 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@]1(O)CC[N@H+](CC(C)C)C1 ZINC001402325239 916958594 /nfs/dbraw/zinc/95/85/94/916958594.db2.gz ZTMGAFZTHHZLDO-OAHLLOKOSA-N 2 2 294.399 0.470 20 0 CCADLP CC(=O)NCC[NH+]1CCC([NH2+]C[C@@H]2C[C@@]23CCOC3)CC1 ZINC001402428357 917010874 /nfs/dbraw/zinc/01/08/74/917010874.db2.gz CWFPFWSPSSXTNQ-GOEBONIOSA-N 2 2 295.427 0.603 20 0 CCADLP CC(=O)NCC[NH+]1CCC([NH2+]C[C@@H]2C[C@]23CCOC3)CC1 ZINC001402428358 917011103 /nfs/dbraw/zinc/01/11/03/917011103.db2.gz CWFPFWSPSSXTNQ-HOCLYGCPSA-N 2 2 295.427 0.603 20 0 CCADLP C[C@H](O)C[NH2+]CC1CC(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001402941994 917367572 /nfs/dbraw/zinc/36/75/72/917367572.db2.gz AZRNNDYNNWSGNR-HIFPTAJRSA-N 2 2 294.399 0.218 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)CNC(=O)CCC[NH+](C)C)o1 ZINC001402981399 917398410 /nfs/dbraw/zinc/39/84/10/917398410.db2.gz NNJCKIXAFGLYKI-SNVBAGLBSA-N 2 2 283.376 0.314 20 0 CCADLP Cc1cnc(C[NH2+][C@@H](C)CNC(=O)C[NH+]2CCCC2)o1 ZINC001403127220 917512036 /nfs/dbraw/zinc/51/20/36/917512036.db2.gz CHLIDDXJMLGXKP-NSHDSACASA-N 2 2 280.372 0.673 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCC2(COC(=O)N2)CC1 ZINC001331772075 917593225 /nfs/dbraw/zinc/59/32/25/917593225.db2.gz VJSHQCWTMFPLCD-UHFFFAOYSA-N 2 2 264.329 0.537 20 0 CCADLP CC(C)CC[NH2+][C@@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001331805246 917620959 /nfs/dbraw/zinc/62/09/59/917620959.db2.gz NVVHHUPQBYYXBI-LLVKDONJSA-N 2 2 268.361 0.065 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CCC(C)([NH3+])CC1 ZINC001331891648 917694559 /nfs/dbraw/zinc/69/45/59/917694559.db2.gz BWRRTVJJSZHBRI-UHFFFAOYSA-N 2 2 251.334 0.443 20 0 CCADLP CC[C@H](F)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001403431284 917709866 /nfs/dbraw/zinc/70/98/66/917709866.db2.gz XWLJZGZAJUXIIP-XDQVBPFNSA-N 2 2 294.374 0.925 20 0 CCADLP CC[C@H](F)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001403431284 917709877 /nfs/dbraw/zinc/70/98/77/917709877.db2.gz XWLJZGZAJUXIIP-XDQVBPFNSA-N 2 2 294.374 0.925 20 0 CCADLP COC1CC[NH+](Cc2cn(CC3C[NH2+]C3)nn2)CC1 ZINC001331917449 917716131 /nfs/dbraw/zinc/71/61/31/917716131.db2.gz INEGGBBIGFFBPC-UHFFFAOYSA-N 2 2 265.361 0.108 20 0 CCADLP CCOCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCn2cc[nH+]c2)C1 ZINC001332016537 917803372 /nfs/dbraw/zinc/80/33/72/917803372.db2.gz VALBJDBEBZHXFI-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP COC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001403627458 917859363 /nfs/dbraw/zinc/85/93/63/917859363.db2.gz YZCCNNAPOWBSLU-QWHCGFSZSA-N 2 2 294.399 0.528 20 0 CCADLP COC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001403627458 917859381 /nfs/dbraw/zinc/85/93/81/917859381.db2.gz YZCCNNAPOWBSLU-QWHCGFSZSA-N 2 2 294.399 0.528 20 0 CCADLP C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)Cc1cncs1 ZINC001403738147 917981379 /nfs/dbraw/zinc/98/13/79/917981379.db2.gz UAWPPCHTQFGEFD-UHFFFAOYSA-N 2 2 294.424 0.787 20 0 CCADLP C[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)Cc1cncs1 ZINC001403738147 917981396 /nfs/dbraw/zinc/98/13/96/917981396.db2.gz UAWPPCHTQFGEFD-UHFFFAOYSA-N 2 2 294.424 0.787 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H](CO)[NH2+]Cc1ccsc1 ZINC001403756745 917995840 /nfs/dbraw/zinc/99/58/40/917995840.db2.gz WENJSNPMSOLJRS-LBPRGKRZSA-N 2 2 294.380 0.212 20 0 CCADLP C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C)n2cc[nH+]c2)C1 ZINC001332517430 918242578 /nfs/dbraw/zinc/24/25/78/918242578.db2.gz RCDGGFDFQSMZPY-VXGBXAGGSA-N 2 2 250.346 0.902 20 0 CCADLP CO[C@H](C)C[N@@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001404395832 918335789 /nfs/dbraw/zinc/33/57/89/918335789.db2.gz OAPCTVTWBQSQJZ-LLVKDONJSA-N 2 2 294.399 0.876 20 0 CCADLP CC[C@H](C[NH+]1CC(CNC(=O)CCn2cc[nH+]c2)C1)OC ZINC001404907647 918514115 /nfs/dbraw/zinc/51/41/15/918514115.db2.gz ZRIUKUIJYBBWRF-CQSZACIVSA-N 2 2 294.399 0.746 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001405122089 918613298 /nfs/dbraw/zinc/61/32/98/918613298.db2.gz LMGZBWILJJXZCE-JSGCOSHPSA-N 2 2 294.399 0.910 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001405122089 918613308 /nfs/dbraw/zinc/61/33/08/918613308.db2.gz LMGZBWILJJXZCE-JSGCOSHPSA-N 2 2 294.399 0.910 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001405122089 918613315 /nfs/dbraw/zinc/61/33/15/918613315.db2.gz LMGZBWILJJXZCE-JSGCOSHPSA-N 2 2 294.399 0.910 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001405122089 918613326 /nfs/dbraw/zinc/61/33/26/918613326.db2.gz LMGZBWILJJXZCE-JSGCOSHPSA-N 2 2 294.399 0.910 20 0 CCADLP CCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001405194518 918647780 /nfs/dbraw/zinc/64/77/80/918647780.db2.gz QHOPBYZIBAUFCG-CHWSQXEVSA-N 2 2 280.372 0.187 20 0 CCADLP CCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001405194518 918647783 /nfs/dbraw/zinc/64/77/83/918647783.db2.gz QHOPBYZIBAUFCG-CHWSQXEVSA-N 2 2 280.372 0.187 20 0 CCADLP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1csnn1 ZINC001405346364 918732728 /nfs/dbraw/zinc/73/27/28/918732728.db2.gz OYTHRINWDIXZLI-WDEREUQCSA-N 2 2 297.428 0.474 20 0 CCADLP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1csnn1 ZINC001405346364 918732746 /nfs/dbraw/zinc/73/27/46/918732746.db2.gz OYTHRINWDIXZLI-WDEREUQCSA-N 2 2 297.428 0.474 20 0 CCADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cccnc1 ZINC001405375206 918748403 /nfs/dbraw/zinc/74/84/03/918748403.db2.gz VFNZAPCYMTXKPV-AWEZNQCLSA-N 2 2 287.367 0.963 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC001405529004 918791905 /nfs/dbraw/zinc/79/19/05/918791905.db2.gz UQDRYRKYVUPPDN-JOCQHMNTSA-N 2 2 294.399 0.362 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H](C)C[NH2+]Cc1cnon1 ZINC001405887484 918960456 /nfs/dbraw/zinc/96/04/56/918960456.db2.gz KCGXSOZHZCXBMN-SNVBAGLBSA-N 2 2 292.343 0.211 20 0 CCADLP C[NH2+]C[C@H]1CCCN1C(=O)NCc1c[nH+]cn1C ZINC001333626606 919051913 /nfs/dbraw/zinc/05/19/13/919051913.db2.gz WLHGTBJDUQHPCJ-SNVBAGLBSA-N 2 2 251.334 0.314 20 0 CCADLP C[C@H](CNC(=O)c1ncoc1C[NH3+])Cn1cc[nH+]c1 ZINC001333631668 919057960 /nfs/dbraw/zinc/05/79/60/919057960.db2.gz SZZDKLQYYRZTFS-SECBINFHSA-N 2 2 263.301 0.396 20 0 CCADLP C[C@H](O)CCC[N@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001406172830 919085841 /nfs/dbraw/zinc/08/58/41/919085841.db2.gz PVBJHKPRKJXYDX-ZDUSSCGKSA-N 2 2 282.388 0.434 20 0 CCADLP C[C@H](O)CCC[N@@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001406172830 919085856 /nfs/dbraw/zinc/08/58/56/919085856.db2.gz PVBJHKPRKJXYDX-ZDUSSCGKSA-N 2 2 282.388 0.434 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H](O)C[NH2+]CC1CCCC1 ZINC001406275165 919147865 /nfs/dbraw/zinc/14/78/65/919147865.db2.gz RGWLLPBKCDZFLF-CYBMUJFWSA-N 2 2 280.372 0.209 20 0 CCADLP CC[C@@H](C[NH2+]C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C)OC ZINC001406551210 919344275 /nfs/dbraw/zinc/34/42/75/919344275.db2.gz GTHYDONPHCXSHV-JQWIXIFHSA-N 2 2 282.388 0.780 20 0 CCADLP COCC[N@@H+]1CC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001406885314 919517132 /nfs/dbraw/zinc/51/71/32/919517132.db2.gz WRDKQCOSPYSANO-OLZOCXBDSA-N 2 2 280.372 0.671 20 0 CCADLP COCC[N@H+]1CC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001406885314 919517143 /nfs/dbraw/zinc/51/71/43/919517143.db2.gz WRDKQCOSPYSANO-OLZOCXBDSA-N 2 2 280.372 0.671 20 0 CCADLP C[C@H](F)CC[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001407388110 919736252 /nfs/dbraw/zinc/73/62/52/919736252.db2.gz VEWIGHAZZYASDE-GXTWGEPZSA-N 2 2 298.362 0.184 20 0 CCADLP C[C@H](F)CC[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001407388110 919736265 /nfs/dbraw/zinc/73/62/65/919736265.db2.gz VEWIGHAZZYASDE-GXTWGEPZSA-N 2 2 298.362 0.184 20 0 CCADLP CCOC(=O)CC[C@H](O)C[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC001335445374 920195659 /nfs/dbraw/zinc/19/56/59/920195659.db2.gz RHURNPOCBDITIU-OLZOCXBDSA-N 2 2 272.389 0.622 20 0 CCADLP CCOC(=O)CC[C@H](O)C[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC001335445374 920195663 /nfs/dbraw/zinc/19/56/63/920195663.db2.gz RHURNPOCBDITIU-OLZOCXBDSA-N 2 2 272.389 0.622 20 0 CCADLP C[NH2+]CCN(C(=O)NCc1c[nH+]cn1C)C(C)C ZINC001335571854 920286736 /nfs/dbraw/zinc/28/67/36/920286736.db2.gz LRCHXVATAGQVGM-UHFFFAOYSA-N 2 2 253.350 0.560 20 0 CCADLP CCCN(C(=O)NCC[NH+]1CCC([NH3+])CC1)C1CC1 ZINC001335623338 920330571 /nfs/dbraw/zinc/33/05/71/920330571.db2.gz OFUPKRYGQQOEAB-UHFFFAOYSA-N 2 2 268.405 0.994 20 0 CCADLP CC1(C)C[NH2+]C[C@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC001335703447 920383511 /nfs/dbraw/zinc/38/35/11/920383511.db2.gz JPSWBOINIKOGCF-LLVKDONJSA-N 2 2 263.345 0.406 20 0 CCADLP C[C@H](COCC1CC1)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC001336004290 920559056 /nfs/dbraw/zinc/55/90/56/920559056.db2.gz YGBHUHKZYOGNQK-RISCZKNCSA-N 2 2 256.390 0.846 20 0 CCADLP C[C@H](COCC1CC1)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC001336004290 920559061 /nfs/dbraw/zinc/55/90/61/920559061.db2.gz YGBHUHKZYOGNQK-RISCZKNCSA-N 2 2 256.390 0.846 20 0 CCADLP O[C@H](C[NH2+][C@@H]1Cc2c[nH+]cn2C1)CC1(O)CCCC1 ZINC001336033545 920575368 /nfs/dbraw/zinc/57/53/68/920575368.db2.gz CBEBLFSWPHXBDE-YPMHNXCESA-N 2 2 265.357 0.454 20 0 CCADLP C[C@@H]1CCCCN1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336191224 920650134 /nfs/dbraw/zinc/65/01/34/920650134.db2.gz CPKLKTDNVXUECT-GFCCVEGCSA-N 2 2 268.405 0.994 20 0 CCADLP C[C@H](CC(=O)NC1(C[NH3+])CCOCC1)n1cc[nH+]c1 ZINC001336743159 920974332 /nfs/dbraw/zinc/97/43/32/920974332.db2.gz WQDXECXWQLXJFM-LLVKDONJSA-N 2 2 266.345 0.458 20 0 CCADLP CC[C@H]1COCCN1CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC001336798733 921019069 /nfs/dbraw/zinc/01/90/69/921019069.db2.gz YCOCKZYFDCBVPG-ZFWWWQNUSA-N 2 2 285.432 0.142 20 0 CCADLP CC[C@H]1COCCN1CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC001336798733 921019084 /nfs/dbraw/zinc/01/90/84/921019084.db2.gz YCOCKZYFDCBVPG-ZFWWWQNUSA-N 2 2 285.432 0.142 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)[NH2+]C[C@H](C)O)ccn12 ZINC001418220268 921932916 /nfs/dbraw/zinc/93/29/16/921932916.db2.gz ISXALFWMHUCWJT-JQWIXIFHSA-N 2 2 290.367 0.731 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)C[C@H]([NH3+])C(F)F)C[N@@H+]1C1CC1 ZINC001340111428 921960024 /nfs/dbraw/zinc/96/00/24/921960024.db2.gz BYCPMGHFVDUZPX-MRTMQBJTSA-N 2 2 261.316 0.710 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)C[C@H]([NH3+])C(F)F)C[N@H+]1C1CC1 ZINC001340111428 921960036 /nfs/dbraw/zinc/96/00/36/921960036.db2.gz BYCPMGHFVDUZPX-MRTMQBJTSA-N 2 2 261.316 0.710 20 0 CCADLP CC[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H]([NH3+])C(F)F)C1 ZINC001340190942 922004705 /nfs/dbraw/zinc/00/47/05/922004705.db2.gz PKTFVPACHWGHLL-VHSXEESVSA-N 2 2 263.332 0.817 20 0 CCADLP CC[N@H+]1CCC[C@@H](CNC(=O)C[C@@H]([NH3+])C(F)F)C1 ZINC001340190942 922004720 /nfs/dbraw/zinc/00/47/20/922004720.db2.gz PKTFVPACHWGHLL-VHSXEESVSA-N 2 2 263.332 0.817 20 0 CCADLP C[C@H](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]CCF ZINC001418402860 922083912 /nfs/dbraw/zinc/08/39/12/922083912.db2.gz DMDCCGKFPDPRIR-VXGBXAGGSA-N 2 2 282.363 0.899 20 0 CCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(O)cn1 ZINC001418426309 922099176 /nfs/dbraw/zinc/09/91/76/922099176.db2.gz JPLGKUZAGBOEIX-LBPRGKRZSA-N 2 2 294.399 0.789 20 0 CCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(O)cn1 ZINC001418426309 922099188 /nfs/dbraw/zinc/09/91/88/922099188.db2.gz JPLGKUZAGBOEIX-LBPRGKRZSA-N 2 2 294.399 0.789 20 0 CCADLP CC[N@H+](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)[C@@H](C)C(N)=O ZINC001418562610 922260977 /nfs/dbraw/zinc/26/09/77/922260977.db2.gz ABBQHYTWVIRVNC-NEPJUHHUSA-N 2 2 295.387 0.146 20 0 CCADLP CC[N@@H+](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)[C@@H](C)C(N)=O ZINC001418562610 922260994 /nfs/dbraw/zinc/26/09/94/922260994.db2.gz ABBQHYTWVIRVNC-NEPJUHHUSA-N 2 2 295.387 0.146 20 0 CCADLP [NH3+]CC(F)(F)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001340908245 922270256 /nfs/dbraw/zinc/27/02/56/922270256.db2.gz RYUZHHVOYMMLSO-UHFFFAOYSA-N 2 2 254.240 0.887 20 0 CCADLP Cc1oncc1C[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001418599855 922297976 /nfs/dbraw/zinc/29/79/76/922297976.db2.gz NVIMHKSSAOJIDR-CQSZACIVSA-N 2 2 294.399 0.967 20 0 CCADLP Cc1oncc1C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001418599855 922297987 /nfs/dbraw/zinc/29/79/87/922297987.db2.gz NVIMHKSSAOJIDR-CQSZACIVSA-N 2 2 294.399 0.967 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001418608254 922303673 /nfs/dbraw/zinc/30/36/73/922303673.db2.gz RXSAQHKAXUFVCQ-OLZOCXBDSA-N 2 2 280.372 0.451 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001418608254 922303685 /nfs/dbraw/zinc/30/36/85/922303685.db2.gz RXSAQHKAXUFVCQ-OLZOCXBDSA-N 2 2 280.372 0.451 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)CC1([NH3+])CCC1 ZINC001341005347 922313802 /nfs/dbraw/zinc/31/38/02/922313802.db2.gz OMSYZFIPRMBGHK-GFCCVEGCSA-N 2 2 269.389 0.485 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC001341127716 922353556 /nfs/dbraw/zinc/35/35/56/922353556.db2.gz BRSZWZCQRWUHTD-IQIPOGNMSA-N 2 2 262.357 0.766 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC001341468563 922502169 /nfs/dbraw/zinc/50/21/69/922502169.db2.gz YHQAJDWSQXVDJU-MWLCHTKSSA-N 2 2 250.346 0.703 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC001341468563 922502179 /nfs/dbraw/zinc/50/21/79/922502179.db2.gz YHQAJDWSQXVDJU-MWLCHTKSSA-N 2 2 250.346 0.703 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC001341481674 922509059 /nfs/dbraw/zinc/50/90/59/922509059.db2.gz CPDKFUKGLMKGSG-UHIISALHSA-N 2 2 262.357 0.928 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC001341481674 922509065 /nfs/dbraw/zinc/50/90/65/922509065.db2.gz CPDKFUKGLMKGSG-UHIISALHSA-N 2 2 262.357 0.928 20 0 CCADLP C[C@H]1[NH2+]CCn2c(C(=O)N3CC[NH+](C)CC3)ccc21 ZINC001341635234 922594164 /nfs/dbraw/zinc/59/41/64/922594164.db2.gz WEWZEIKMHUDKNF-LLVKDONJSA-N 2 2 262.357 0.540 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001419109497 922637345 /nfs/dbraw/zinc/63/73/45/922637345.db2.gz FQBRAGJFIFIGNM-QWHCGFSZSA-N 2 2 280.372 0.187 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001419109497 922637358 /nfs/dbraw/zinc/63/73/58/922637358.db2.gz FQBRAGJFIFIGNM-QWHCGFSZSA-N 2 2 280.372 0.187 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CCOC(C)C)C1 ZINC001419177306 922693957 /nfs/dbraw/zinc/69/39/57/922693957.db2.gz DWYJDPPFUITNRO-CYBMUJFWSA-N 2 2 294.399 0.876 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CCOC(C)C)C1 ZINC001419177306 922693960 /nfs/dbraw/zinc/69/39/60/922693960.db2.gz DWYJDPPFUITNRO-CYBMUJFWSA-N 2 2 294.399 0.876 20 0 CCADLP CC[C@H](C[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1)OC ZINC001419366325 922784384 /nfs/dbraw/zinc/78/43/84/922784384.db2.gz ZIRGKIHERYCJBE-UONOGXRCSA-N 2 2 294.399 0.958 20 0 CCADLP CC[C@H](C[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1)OC ZINC001419366325 922784396 /nfs/dbraw/zinc/78/43/96/922784396.db2.gz ZIRGKIHERYCJBE-UONOGXRCSA-N 2 2 294.399 0.958 20 0 CCADLP C[NH+](C)CC[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC001419414591 922816393 /nfs/dbraw/zinc/81/63/93/922816393.db2.gz MPDKKJCSAJOMGD-AWEZNQCLSA-N 2 2 297.443 0.897 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCC1CC[NH+](CCO)CC1 ZINC001419416087 922816829 /nfs/dbraw/zinc/81/68/29/922816829.db2.gz KWZCOIRTRQBSPL-UHFFFAOYSA-N 2 2 294.399 0.173 20 0 CCADLP CC(C)[N@@H+]1CCCN(C(=O)C[C@@H]([NH3+])C(F)F)CC1 ZINC001342126394 922818143 /nfs/dbraw/zinc/81/81/43/922818143.db2.gz CEJNBUAYEJCHTC-SNVBAGLBSA-N 2 2 263.332 0.912 20 0 CCADLP CC(C)[N@H+]1CCCN(C(=O)C[C@@H]([NH3+])C(F)F)CC1 ZINC001342126394 922818161 /nfs/dbraw/zinc/81/81/61/922818161.db2.gz CEJNBUAYEJCHTC-SNVBAGLBSA-N 2 2 263.332 0.912 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC001342196733 922855816 /nfs/dbraw/zinc/85/58/16/922855816.db2.gz WJEXRJXKVDMHGR-NEPJUHHUSA-N 2 2 257.378 0.149 20 0 CCADLP C[NH2+]C1CC(C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)C1 ZINC001342204904 922859522 /nfs/dbraw/zinc/85/95/22/922859522.db2.gz STYLEHYZKTZRGB-ZFDZMSFRSA-N 2 2 269.389 0.210 20 0 CCADLP C[NH2+]C1CC(C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)C1 ZINC001342204904 922859533 /nfs/dbraw/zinc/85/95/33/922859533.db2.gz STYLEHYZKTZRGB-ZFDZMSFRSA-N 2 2 269.389 0.210 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C[C@H]1CCC[NH2+]1 ZINC001342303449 922902347 /nfs/dbraw/zinc/90/23/47/922902347.db2.gz NNOUGEZYMJTNLT-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H](C)N(C)C(=O)CCc1[nH+]ccn1C ZINC001419682922 922991889 /nfs/dbraw/zinc/99/18/89/922991889.db2.gz DSYVOAFBRVFFRZ-NWDGAFQWSA-N 2 2 282.388 0.170 20 0 CCADLP C[C@H](C[NH2+]C[C@H](C)O)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001419684188 922991956 /nfs/dbraw/zinc/99/19/56/922991956.db2.gz BXAMMGYIWYBDTP-NEPJUHHUSA-N 2 2 290.367 0.765 20 0 CCADLP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]Cc1cnsn1 ZINC001419780676 923092168 /nfs/dbraw/zinc/09/21/68/923092168.db2.gz WHUNSTSFCXJVEC-SNVBAGLBSA-N 2 2 297.428 0.617 20 0 CCADLP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH2+]Cc1cnsn1 ZINC001419780676 923092172 /nfs/dbraw/zinc/09/21/72/923092172.db2.gz WHUNSTSFCXJVEC-SNVBAGLBSA-N 2 2 297.428 0.617 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC[C@H]1CCOC1 ZINC001419842815 923127456 /nfs/dbraw/zinc/12/74/56/923127456.db2.gz AGXFOIBEQRGWDA-NEPJUHHUSA-N 2 2 280.372 0.473 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)[C@H](C)C(N)=O ZINC001419968116 923198653 /nfs/dbraw/zinc/19/86/53/923198653.db2.gz RVLZESJISNTNJO-OLZOCXBDSA-N 2 2 298.431 0.123 20 0 CCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)[C@H](C)C(N)=O ZINC001419968116 923198661 /nfs/dbraw/zinc/19/86/61/923198661.db2.gz RVLZESJISNTNJO-OLZOCXBDSA-N 2 2 298.431 0.123 20 0 CCADLP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)[C@H](C)C(N)=O ZINC001419968116 923198671 /nfs/dbraw/zinc/19/86/71/923198671.db2.gz RVLZESJISNTNJO-OLZOCXBDSA-N 2 2 298.431 0.123 20 0 CCADLP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)[C@H](C)C(N)=O ZINC001419968116 923198680 /nfs/dbraw/zinc/19/86/80/923198680.db2.gz RVLZESJISNTNJO-OLZOCXBDSA-N 2 2 298.431 0.123 20 0 CCADLP C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC001420017830 923238244 /nfs/dbraw/zinc/23/82/44/923238244.db2.gz UDWFTFHUCSYMTH-NWDGAFQWSA-N 2 2 276.384 0.902 20 0 CCADLP C[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC001420017830 923238251 /nfs/dbraw/zinc/23/82/51/923238251.db2.gz UDWFTFHUCSYMTH-NWDGAFQWSA-N 2 2 276.384 0.902 20 0 CCADLP C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC001420017820 923241883 /nfs/dbraw/zinc/24/18/83/923241883.db2.gz UDWFTFHUCSYMTH-NEPJUHHUSA-N 2 2 276.384 0.902 20 0 CCADLP C[N@H+]1C[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC001420017820 923241895 /nfs/dbraw/zinc/24/18/95/923241895.db2.gz UDWFTFHUCSYMTH-NEPJUHHUSA-N 2 2 276.384 0.902 20 0 CCADLP C[NH+]1CCN(C(=O)c2cc3n(n2)CCC[C@H]3[NH3+])CC1 ZINC001343460088 923329880 /nfs/dbraw/zinc/32/98/80/923329880.db2.gz VWUWHPRMACOODR-SNVBAGLBSA-N 2 2 263.345 0.064 20 0 CCADLP CC1([NH3+])CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001343472705 923336779 /nfs/dbraw/zinc/33/67/79/923336779.db2.gz HRNAOAFGYIYNGL-LLVKDONJSA-N 2 2 262.357 0.785 20 0 CCADLP C[C@H](CC(=O)N1CC([NH2+][C@H]2CCOC2)C1)n1cc[nH+]c1 ZINC001420141871 923344912 /nfs/dbraw/zinc/34/49/12/923344912.db2.gz DZTXUCDIHBNKGN-NEPJUHHUSA-N 2 2 278.356 0.424 20 0 CCADLP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]CC[C@@H]1CCCO1 ZINC001420167954 923360429 /nfs/dbraw/zinc/36/04/29/923360429.db2.gz IQYXHELSDHRSTQ-KBPBESRZSA-N 2 2 294.399 0.937 20 0 CCADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@@H]1CCC[NH2+]CC1 ZINC001343716111 923437043 /nfs/dbraw/zinc/43/70/43/923437043.db2.gz ZOHUJGQQNRFNMF-KWEXDPCDSA-N 2 2 281.400 0.381 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1([NH3+])CCCC1 ZINC001344011421 923529580 /nfs/dbraw/zinc/52/95/80/923529580.db2.gz ODVFVAGKKOSPNR-SNVBAGLBSA-N 2 2 250.346 0.976 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1([NH3+])CCCC1 ZINC001344011421 923529592 /nfs/dbraw/zinc/52/95/92/923529592.db2.gz ODVFVAGKKOSPNR-SNVBAGLBSA-N 2 2 250.346 0.976 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCN(c2cnn(C)c2)C1 ZINC001345470324 923898214 /nfs/dbraw/zinc/89/82/14/923898214.db2.gz QXNGPNUFZNMBMA-MBNYWOFBSA-N 2 2 263.389 0.586 20 0 CCADLP COC[C@H](C)[NH2+]CCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001420725200 923905045 /nfs/dbraw/zinc/90/50/45/923905045.db2.gz FTIPALFPDMMLQS-NEPJUHHUSA-N 2 2 282.388 0.671 20 0 CCADLP COC[C@H](C)[NH2+]CCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001420725200 923905054 /nfs/dbraw/zinc/90/50/54/923905054.db2.gz FTIPALFPDMMLQS-NEPJUHHUSA-N 2 2 282.388 0.671 20 0 CCADLP COCC[N@@H+]1CC[C@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001420891900 924000373 /nfs/dbraw/zinc/00/03/73/924000373.db2.gz RDTWSLGJWYYJSC-ZDUSSCGKSA-N 2 2 294.399 0.735 20 0 CCADLP COCC[N@H+]1CC[C@H](CCNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001420891900 924000391 /nfs/dbraw/zinc/00/03/91/924000391.db2.gz RDTWSLGJWYYJSC-ZDUSSCGKSA-N 2 2 294.399 0.735 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC001346058177 924058546 /nfs/dbraw/zinc/05/85/46/924058546.db2.gz WAMFRLMRZKRMDP-MNOVXSKESA-N 2 2 250.346 0.786 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC001346058177 924058555 /nfs/dbraw/zinc/05/85/55/924058555.db2.gz WAMFRLMRZKRMDP-MNOVXSKESA-N 2 2 250.346 0.786 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC001346228259 924121832 /nfs/dbraw/zinc/12/18/32/924121832.db2.gz GZTDYBBRZDMUHZ-NSHDSACASA-N 2 2 262.357 0.706 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC001346228259 924121836 /nfs/dbraw/zinc/12/18/36/924121836.db2.gz GZTDYBBRZDMUHZ-NSHDSACASA-N 2 2 262.357 0.706 20 0 CCADLP C[C@](O)(C[C@@H](O)C[NH2+][C@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC001346338163 924167011 /nfs/dbraw/zinc/16/70/11/924167011.db2.gz DKNQAJFIYLJYOS-YUTCNCBUSA-N 2 2 265.357 0.309 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001421135710 924176138 /nfs/dbraw/zinc/17/61/38/924176138.db2.gz FSOJUBICZJWMMI-OLZOCXBDSA-N 2 2 280.372 0.499 20 0 CCADLP C[C@@H]1CN(C(=O)NCc2c[nH+]cn2C)C[C@H]1CC[NH3+] ZINC001346439488 924211969 /nfs/dbraw/zinc/21/19/69/924211969.db2.gz ADDZTPLVQIKZMN-GHMZBOCLSA-N 2 2 265.361 0.546 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001347103464 924373659 /nfs/dbraw/zinc/37/36/59/924373659.db2.gz ZONHFBJCZKPIIR-RYUDHWBXSA-N 2 2 262.357 0.515 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001347103464 924373673 /nfs/dbraw/zinc/37/36/73/924373673.db2.gz ZONHFBJCZKPIIR-RYUDHWBXSA-N 2 2 262.357 0.515 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC001347103467 924374561 /nfs/dbraw/zinc/37/45/61/924374561.db2.gz ZONHFBJCZKPIIR-VXGBXAGGSA-N 2 2 262.357 0.515 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC001347103467 924374569 /nfs/dbraw/zinc/37/45/69/924374569.db2.gz ZONHFBJCZKPIIR-VXGBXAGGSA-N 2 2 262.357 0.515 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC[NH+]1CCCCC1 ZINC001347343205 924427004 /nfs/dbraw/zinc/42/70/04/924427004.db2.gz ITTGKVUDYJXZEI-UHFFFAOYSA-N 2 2 264.373 0.955 20 0 CCADLP C/C(=C/C(=O)NC[C@H]1CCCC[N@H+]1C)C[NH+]1CCOCC1 ZINC001347501443 924464526 /nfs/dbraw/zinc/46/45/26/924464526.db2.gz GSQGHMXGRMPVTL-QKXCFHHRSA-N 2 2 295.427 0.865 20 0 CCADLP C/C(=C/C(=O)NC[C@H]1CCCC[N@@H+]1C)C[NH+]1CCOCC1 ZINC001347501443 924464530 /nfs/dbraw/zinc/46/45/30/924464530.db2.gz GSQGHMXGRMPVTL-QKXCFHHRSA-N 2 2 295.427 0.865 20 0 CCADLP C/C(=C/C(=O)NC[C@@H]1CCCC[N@H+]1C)C[NH+]1CCOCC1 ZINC001347501444 924464696 /nfs/dbraw/zinc/46/46/96/924464696.db2.gz GSQGHMXGRMPVTL-SZGZABIGSA-N 2 2 295.427 0.865 20 0 CCADLP C/C(=C/C(=O)NC[C@@H]1CCCC[N@@H+]1C)C[NH+]1CCOCC1 ZINC001347501444 924464705 /nfs/dbraw/zinc/46/47/05/924464705.db2.gz GSQGHMXGRMPVTL-SZGZABIGSA-N 2 2 295.427 0.865 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)CCc2[nH+]ccn2C)CC[N@H+]1C ZINC001349392153 924947492 /nfs/dbraw/zinc/94/74/92/924947492.db2.gz PPMJMMJNXOAWHJ-NEPJUHHUSA-N 2 2 264.373 0.904 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)CCc2[nH+]ccn2C)CC[N@@H+]1C ZINC001349392153 924947497 /nfs/dbraw/zinc/94/74/97/924947497.db2.gz PPMJMMJNXOAWHJ-NEPJUHHUSA-N 2 2 264.373 0.904 20 0 CCADLP COC(=O)c1cnc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cn1 ZINC001351680035 925454713 /nfs/dbraw/zinc/45/47/13/925454713.db2.gz UDCWJUJDXLVTHL-CYBMUJFWSA-N 2 2 264.329 0.434 20 0 CCADLP COC(=O)c1cnc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cn1 ZINC001351680035 925454719 /nfs/dbraw/zinc/45/47/19/925454719.db2.gz UDCWJUJDXLVTHL-CYBMUJFWSA-N 2 2 264.329 0.434 20 0 CCADLP [NH3+][C@H]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001352864137 925660299 /nfs/dbraw/zinc/66/02/99/925660299.db2.gz UBZYZDFWFGQJJT-IJLUTSLNSA-N 2 2 262.357 0.832 20 0 CCADLP CN1C[C@H](C[N@@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)OC1=O ZINC001352926588 925674778 /nfs/dbraw/zinc/67/47/78/925674778.db2.gz XRAYMLMVORVBMU-IJLUTSLNSA-N 2 2 253.346 0.463 20 0 CCADLP CN1C[C@H](C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)OC1=O ZINC001352926588 925674780 /nfs/dbraw/zinc/67/47/80/925674780.db2.gz XRAYMLMVORVBMU-IJLUTSLNSA-N 2 2 253.346 0.463 20 0 CCADLP CN1C[C@H](C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)OC1=O ZINC001352926588 925674782 /nfs/dbraw/zinc/67/47/82/925674782.db2.gz XRAYMLMVORVBMU-IJLUTSLNSA-N 2 2 253.346 0.463 20 0 CCADLP CN1C[C@H](C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)OC1=O ZINC001352926588 925674783 /nfs/dbraw/zinc/67/47/83/925674783.db2.gz XRAYMLMVORVBMU-IJLUTSLNSA-N 2 2 253.346 0.463 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCn2cncc2C1)C1CC1 ZINC001353340699 925805625 /nfs/dbraw/zinc/80/56/25/925805625.db2.gz SNJUUMCYTJYTLO-BXUZGUMPSA-N 2 2 264.373 0.243 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCn2cncc2C1)C1CC1 ZINC001353340699 925805635 /nfs/dbraw/zinc/80/56/35/925805635.db2.gz SNJUUMCYTJYTLO-BXUZGUMPSA-N 2 2 264.373 0.243 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001357446950 926533769 /nfs/dbraw/zinc/53/37/69/926533769.db2.gz VCCTUJHXEAEWFM-GMTAPVOTSA-N 2 2 250.346 0.784 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001357446950 926533777 /nfs/dbraw/zinc/53/37/77/926533777.db2.gz VCCTUJHXEAEWFM-GMTAPVOTSA-N 2 2 250.346 0.784 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001357472162 926542431 /nfs/dbraw/zinc/54/24/31/926542431.db2.gz MSYFAMZVPMEYHO-YWVKMMECSA-N 2 2 254.309 0.405 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001357472162 926542441 /nfs/dbraw/zinc/54/24/41/926542441.db2.gz MSYFAMZVPMEYHO-YWVKMMECSA-N 2 2 254.309 0.405 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)C[C@H]1CCC[NH2+]1 ZINC001358154540 926647266 /nfs/dbraw/zinc/64/72/66/926647266.db2.gz JGXPYORGIMBMNR-CHWSQXEVSA-N 2 2 269.389 0.356 20 0 CCADLP CC(=O)NCC[NH+]1CCC([NH2+]C[C@@H]2CCCCO2)CC1 ZINC001421570535 926801453 /nfs/dbraw/zinc/80/14/53/926801453.db2.gz BPESUBXDRBWQPI-HNNXBMFYSA-N 2 2 283.416 0.746 20 0 CCADLP CC[NH2+][C@]1(CO)CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001421974717 927023870 /nfs/dbraw/zinc/02/38/70/927023870.db2.gz VLJPYPHDEGWWNU-CQSZACIVSA-N 2 2 280.372 0.236 20 0 CCADLP C[C@H](C[NH2+]C[C@H]1CCOC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001421975423 927023981 /nfs/dbraw/zinc/02/39/81/927023981.db2.gz AQHBGXGOMSCGRW-CHWSQXEVSA-N 2 2 280.372 0.356 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC(C)([NH2+]CCF)CC1 ZINC001422067350 927058899 /nfs/dbraw/zinc/05/88/99/927058899.db2.gz LMLIXEGXTVUFPN-UHFFFAOYSA-N 2 2 282.363 0.903 20 0 CCADLP C[C@H](CC(=O)N(C)CC[N@@H+](C)CCCO)n1cc[nH+]c1 ZINC001422205918 927142494 /nfs/dbraw/zinc/14/24/94/927142494.db2.gz KPDAJHQLJPBASJ-CYBMUJFWSA-N 2 2 282.388 0.607 20 0 CCADLP CC(C)OCC[N@H+](C)CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001422208247 927149341 /nfs/dbraw/zinc/14/93/41/927149341.db2.gz OFURSIYXAJCFIG-UHFFFAOYSA-N 2 2 282.388 0.767 20 0 CCADLP CC(C)OCC[N@@H+](C)CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001422208247 927149350 /nfs/dbraw/zinc/14/93/50/927149350.db2.gz OFURSIYXAJCFIG-UHFFFAOYSA-N 2 2 282.388 0.767 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001362013766 927522386 /nfs/dbraw/zinc/52/23/86/927522386.db2.gz CLWXKZVSDBRUSV-ZIAGYGMSSA-N 2 2 281.400 0.404 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001362013766 927522393 /nfs/dbraw/zinc/52/23/93/927522393.db2.gz CLWXKZVSDBRUSV-ZIAGYGMSSA-N 2 2 281.400 0.404 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccon1 ZINC001423103898 927676120 /nfs/dbraw/zinc/67/61/20/927676120.db2.gz WTXQDNLNVNDUSZ-LLVKDONJSA-N 2 2 291.355 0.816 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC1([NH2+]Cc2ccon2)CC1 ZINC001423236996 927759071 /nfs/dbraw/zinc/75/90/71/927759071.db2.gz GJZFXDHTEAVUFN-UHFFFAOYSA-N 2 2 289.339 0.618 20 0 CCADLP CC[C@H](C(=O)NCC1([NH2+]Cc2nnc(C)[nH]2)CC1)[NH+](C)C ZINC001423247712 927761211 /nfs/dbraw/zinc/76/12/11/927761211.db2.gz UAWWEIFSWZENMT-LLVKDONJSA-N 2 2 294.403 0.192 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H](CO)[NH2+]Cc1ccccc1 ZINC001423308002 927806067 /nfs/dbraw/zinc/80/60/67/927806067.db2.gz IGORNJHKUSQXGV-AWEZNQCLSA-N 2 2 288.351 0.150 20 0 CCADLP CC[N@@H+]1CC[C@H]1C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC001362605546 928239964 /nfs/dbraw/zinc/23/99/64/928239964.db2.gz PPIKGTXBPXQHEF-STQMWFEESA-N 2 2 283.416 0.384 20 0 CCADLP CC[N@H+]1CC[C@H]1C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC001362605546 928239973 /nfs/dbraw/zinc/23/99/73/928239973.db2.gz PPIKGTXBPXQHEF-STQMWFEESA-N 2 2 283.416 0.384 20 0 CCADLP CC[NH+]1CC[C@H]1C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC001362605546 928239986 /nfs/dbraw/zinc/23/99/86/928239986.db2.gz PPIKGTXBPXQHEF-STQMWFEESA-N 2 2 283.416 0.384 20 0 CCADLP CC[NH+]1CC[C@H]1C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC001362605546 928239998 /nfs/dbraw/zinc/23/99/98/928239998.db2.gz PPIKGTXBPXQHEF-STQMWFEESA-N 2 2 283.416 0.384 20 0 CCADLP C[C@@H](CC[NH+](C)C)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC001362660915 928320316 /nfs/dbraw/zinc/32/03/16/928320316.db2.gz PWJHWCNYQOHZPD-BFHYXJOUSA-N 2 2 285.432 0.800 20 0 CCADLP C[C@@H](CC[NH+](C)C)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC001362660915 928320331 /nfs/dbraw/zinc/32/03/31/928320331.db2.gz PWJHWCNYQOHZPD-BFHYXJOUSA-N 2 2 285.432 0.800 20 0 CCADLP CO[C@H](C)C[N@H+](C)[C@@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001424991029 928387202 /nfs/dbraw/zinc/38/72/02/928387202.db2.gz BUWSOKYGMFMIML-QWHCGFSZSA-N 2 2 296.415 0.824 20 0 CCADLP CO[C@H](C)C[N@@H+](C)[C@@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001424991029 928387216 /nfs/dbraw/zinc/38/72/16/928387216.db2.gz BUWSOKYGMFMIML-QWHCGFSZSA-N 2 2 296.415 0.824 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[N@@H+](C)CCC[C@H](C)O ZINC001425055350 928414310 /nfs/dbraw/zinc/41/43/10/928414310.db2.gz KTZANBLECQERMH-RYUDHWBXSA-N 2 2 296.415 0.858 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[N@H+](C)CCC[C@H](C)O ZINC001425055350 928414313 /nfs/dbraw/zinc/41/43/13/928414313.db2.gz KTZANBLECQERMH-RYUDHWBXSA-N 2 2 296.415 0.858 20 0 CCADLP CC1(C)C[N@H+](CCCO)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001425298001 928499351 /nfs/dbraw/zinc/49/93/51/928499351.db2.gz XXWDFOFSIYIIBO-CYBMUJFWSA-N 2 2 294.399 0.482 20 0 CCADLP CC1(C)C[N@@H+](CCCO)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001425298001 928499355 /nfs/dbraw/zinc/49/93/55/928499355.db2.gz XXWDFOFSIYIIBO-CYBMUJFWSA-N 2 2 294.399 0.482 20 0 CCADLP COC[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001425611836 928605794 /nfs/dbraw/zinc/60/57/94/928605794.db2.gz SQFJVHJLCKVQLG-CHWSQXEVSA-N 2 2 296.415 0.824 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC001425684493 928623740 /nfs/dbraw/zinc/62/37/40/928623740.db2.gz SWRBZNTXGWGIKI-NSHDSACASA-N 2 2 296.419 0.391 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC001425684493 928623750 /nfs/dbraw/zinc/62/37/50/928623750.db2.gz SWRBZNTXGWGIKI-NSHDSACASA-N 2 2 296.419 0.391 20 0 CCADLP CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001426066137 928746235 /nfs/dbraw/zinc/74/62/35/928746235.db2.gz IPRSGWGBPJXKJL-QWHCGFSZSA-N 2 2 294.399 0.217 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001426066137 928746243 /nfs/dbraw/zinc/74/62/43/928746243.db2.gz IPRSGWGBPJXKJL-QWHCGFSZSA-N 2 2 294.399 0.217 20 0 CCADLP C[N@H+](CC(=O)N[C@H](CO)Cc1c[nH]c[nH+]1)CC(C)(C)C ZINC001363657901 929460016 /nfs/dbraw/zinc/46/00/16/929460016.db2.gz LNJFVFMIJPDHBU-LBPRGKRZSA-N 2 2 282.388 0.407 20 0 CCADLP C[N@@H+](CC(=O)N[C@H](CO)Cc1c[nH]c[nH+]1)CC(C)(C)C ZINC001363657901 929460017 /nfs/dbraw/zinc/46/00/17/929460017.db2.gz LNJFVFMIJPDHBU-LBPRGKRZSA-N 2 2 282.388 0.407 20 0 CCADLP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]CCn1cccn1 ZINC001371889508 929652767 /nfs/dbraw/zinc/65/27/67/929652767.db2.gz OUEMMVBCXARFLN-ZDUSSCGKSA-N 2 2 290.371 0.264 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC1C[NH+](C/C=C/Cl)C1 ZINC001443645941 929666763 /nfs/dbraw/zinc/66/67/63/929666763.db2.gz BFOTUPGTVWHDJF-NSCUHMNNSA-N 2 2 282.775 0.992 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001443741522 929690314 /nfs/dbraw/zinc/69/03/14/929690314.db2.gz VSHJHZOKVNZXEB-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001443741522 929690320 /nfs/dbraw/zinc/69/03/20/929690320.db2.gz VSHJHZOKVNZXEB-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP CC[C@H](CNC(=O)Cc1c[nH+]ccc1OC)[NH2+]C[C@H](C)O ZINC001443934211 929746193 /nfs/dbraw/zinc/74/61/93/929746193.db2.gz CAZYCUAIRUWOEI-WCQYABFASA-N 2 2 295.383 0.498 20 0 CCADLP C[C@@H](C[NH2+]CC1CCOCC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001444724491 929938935 /nfs/dbraw/zinc/93/89/35/929938935.db2.gz KXUAZFYIQKGGJN-ZDUSSCGKSA-N 2 2 294.399 0.746 20 0 CCADLP CN(CC[N@H+](C)Cc1cncn1C)C(=O)[C@H]1CCC[NH+]1C ZINC001445028069 930011744 /nfs/dbraw/zinc/01/17/44/930011744.db2.gz LDUZEODKNBLBFW-CQSZACIVSA-N 2 2 293.415 0.405 20 0 CCADLP CN(CC[N@@H+](C)Cc1cncn1C)C(=O)[C@H]1CCC[NH+]1C ZINC001445028069 930011753 /nfs/dbraw/zinc/01/17/53/930011753.db2.gz LDUZEODKNBLBFW-CQSZACIVSA-N 2 2 293.415 0.405 20 0 CCADLP CN(CC[NH+](C)Cc1cncn1C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001445028069 930011756 /nfs/dbraw/zinc/01/17/56/930011756.db2.gz LDUZEODKNBLBFW-CQSZACIVSA-N 2 2 293.415 0.405 20 0 CCADLP CN(CC[NH+](C)Cc1cncn1C)C(=O)[C@H]1CCC[N@H+]1C ZINC001445028069 930011763 /nfs/dbraw/zinc/01/17/63/930011763.db2.gz LDUZEODKNBLBFW-CQSZACIVSA-N 2 2 293.415 0.405 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC[C@@H]1CC[N@H+](CCO)C1 ZINC001373197330 930101030 /nfs/dbraw/zinc/10/10/30/930101030.db2.gz ABVFBRJWXFEHJR-CYBMUJFWSA-N 2 2 294.399 0.173 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC[C@@H]1CC[N@@H+](CCO)C1 ZINC001373197330 930101042 /nfs/dbraw/zinc/10/10/42/930101042.db2.gz ABVFBRJWXFEHJR-CYBMUJFWSA-N 2 2 294.399 0.173 20 0 CCADLP Cc1oncc1C[NH2+]C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001445589204 930178981 /nfs/dbraw/zinc/17/89/81/930178981.db2.gz HHOBBERAOTXLEQ-NSHDSACASA-N 2 2 291.355 0.864 20 0 CCADLP C[C@@H](C[N@H+](C)CC[C@H]1CCOC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001445821536 930260933 /nfs/dbraw/zinc/26/09/33/930260933.db2.gz QYCSYILEMYHGGR-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H](C[N@@H+](C)CC[C@H]1CCOC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001445821536 930260942 /nfs/dbraw/zinc/26/09/42/930260942.db2.gz QYCSYILEMYHGGR-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001373673235 930293686 /nfs/dbraw/zinc/29/36/86/930293686.db2.gz ORSBYDXRPGWLIF-WCQYABFASA-N 2 2 280.372 0.256 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001373673235 930293697 /nfs/dbraw/zinc/29/36/97/930293697.db2.gz ORSBYDXRPGWLIF-WCQYABFASA-N 2 2 280.372 0.256 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001373673235 930293705 /nfs/dbraw/zinc/29/37/05/930293705.db2.gz ORSBYDXRPGWLIF-WCQYABFASA-N 2 2 280.372 0.256 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001373673235 930293716 /nfs/dbraw/zinc/29/37/16/930293716.db2.gz ORSBYDXRPGWLIF-WCQYABFASA-N 2 2 280.372 0.256 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001373673233 930295020 /nfs/dbraw/zinc/29/50/20/930295020.db2.gz ORSBYDXRPGWLIF-AAEUAGOBSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001373673233 930295023 /nfs/dbraw/zinc/29/50/23/930295023.db2.gz ORSBYDXRPGWLIF-AAEUAGOBSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001373673233 930295027 /nfs/dbraw/zinc/29/50/27/930295027.db2.gz ORSBYDXRPGWLIF-AAEUAGOBSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001373673233 930295035 /nfs/dbraw/zinc/29/50/35/930295035.db2.gz ORSBYDXRPGWLIF-AAEUAGOBSA-N 2 2 280.372 0.256 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@@H+]1C[C@H]1CCCOC1 ZINC001446121936 930339843 /nfs/dbraw/zinc/33/98/43/930339843.db2.gz NYAXPUSIQVJTON-ZIAGYGMSSA-N 2 2 292.383 0.500 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@H+]1C[C@H]1CCCOC1 ZINC001446121936 930339852 /nfs/dbraw/zinc/33/98/52/930339852.db2.gz NYAXPUSIQVJTON-ZIAGYGMSSA-N 2 2 292.383 0.500 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001446128322 930343057 /nfs/dbraw/zinc/34/30/57/930343057.db2.gz ZIHGFVZLAUGFRA-OLZOCXBDSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001446128322 930343067 /nfs/dbraw/zinc/34/30/67/930343067.db2.gz ZIHGFVZLAUGFRA-OLZOCXBDSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@@H](O)CCC[N@@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001446558141 930437641 /nfs/dbraw/zinc/43/76/41/930437641.db2.gz DQKSKFMYDGCTMQ-HIFRSBDPSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@@H](O)CCC[N@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001446558141 930437648 /nfs/dbraw/zinc/43/76/48/930437648.db2.gz DQKSKFMYDGCTMQ-HIFRSBDPSA-N 2 2 294.399 0.625 20 0 CCADLP CC[C@H](C(=O)N[C@H](C)C[NH2+][C@H](C)c1nnc(C)o1)[NH+](C)C ZINC001374777467 930657660 /nfs/dbraw/zinc/65/76/60/930657660.db2.gz UHMZERSAWQQSLW-CKYFFXLPSA-N 2 2 297.403 0.874 20 0 CCADLP C[C@@H](C[N@H+](C)CCCO)NC(=O)CCc1c[nH+]cn1C ZINC001375155447 930805002 /nfs/dbraw/zinc/80/50/02/930805002.db2.gz XIARSHBKBPFQKA-LBPRGKRZSA-N 2 2 282.388 0.172 20 0 CCADLP C[C@@H](C[N@@H+](C)CCCO)NC(=O)CCc1c[nH+]cn1C ZINC001375155447 930805012 /nfs/dbraw/zinc/80/50/12/930805012.db2.gz XIARSHBKBPFQKA-LBPRGKRZSA-N 2 2 282.388 0.172 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001448524030 930911222 /nfs/dbraw/zinc/91/12/22/930911222.db2.gz HACWIWGPHYTQRJ-SRVKXCTJSA-N 2 2 280.372 0.472 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001375573491 930923235 /nfs/dbraw/zinc/92/32/35/930923235.db2.gz DEWOYNIQINRAHA-HZSPNIEDSA-N 2 2 294.399 0.529 20 0 CCADLP CC[C@H](C)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001449157638 931088159 /nfs/dbraw/zinc/08/81/59/931088159.db2.gz DEURBIZJNUQADR-RYUDHWBXSA-N 2 2 282.388 0.407 20 0 CCADLP C[C@H](F)CC[NH+]1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001376234189 931099982 /nfs/dbraw/zinc/09/99/82/931099982.db2.gz XITVOIYNAUMVSZ-LBPRGKRZSA-N 2 2 289.395 0.239 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001376540726 931177724 /nfs/dbraw/zinc/17/77/24/931177724.db2.gz YPXGGKFGMISJMN-KBPBESRZSA-N 2 2 294.399 0.746 20 0 CCADLP CO[C@@H](C)C[N@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001376540726 931177732 /nfs/dbraw/zinc/17/77/32/931177732.db2.gz YPXGGKFGMISJMN-KBPBESRZSA-N 2 2 294.399 0.746 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2cnon2)CC[N@@H+]1C ZINC001376729969 931251964 /nfs/dbraw/zinc/25/19/64/931251964.db2.gz IRYKWHGEPAPVME-KGYLQXTDSA-N 2 2 295.387 0.394 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2cnon2)CC[N@H+]1C ZINC001376729969 931251971 /nfs/dbraw/zinc/25/19/71/931251971.db2.gz IRYKWHGEPAPVME-KGYLQXTDSA-N 2 2 295.387 0.394 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C)[nH]1 ZINC001376763904 931263189 /nfs/dbraw/zinc/26/31/89/931263189.db2.gz NUCSEKOMRDZFLN-CMPLNLGQSA-N 2 2 294.403 0.192 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCCC[N@H+]2C)[nH]1 ZINC001376763904 931263198 /nfs/dbraw/zinc/26/31/98/931263198.db2.gz NUCSEKOMRDZFLN-CMPLNLGQSA-N 2 2 294.403 0.192 20 0 CCADLP C[NH+]1CCC([NH2+]C2CC[NH+](CCCC(=O)[O-])CC2)CC1 ZINC001598586781 993395398 /nfs/dbraw/zinc/39/53/98/993395398.db2.gz ARLROSGUOIHKAK-UHFFFAOYSA-N 2 2 283.416 0.999 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN([C@H](C)C[NH+]2CCOCC2)CC1 ZINC000091512611 349466076 /nfs/dbraw/zinc/46/60/76/349466076.db2.gz WUEPOHJTACGVRL-CABCVRRESA-N 2 2 285.432 0.096 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@@H]2CCCC[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000423877312 529374944 /nfs/dbraw/zinc/37/49/44/529374944.db2.gz OWYXWGXRXJZZGQ-ILXRZTDVSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H](CO)C(C)(C)C ZINC000093203319 349531258 /nfs/dbraw/zinc/53/12/58/349531258.db2.gz PMIUIIXAJFWOKC-GFCCVEGCSA-N 2 2 271.405 0.099 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H](CO)C(C)(C)C ZINC000093203319 349531261 /nfs/dbraw/zinc/53/12/61/349531261.db2.gz PMIUIIXAJFWOKC-GFCCVEGCSA-N 2 2 271.405 0.099 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000093677049 349550134 /nfs/dbraw/zinc/55/01/34/349550134.db2.gz PPMONANZYHPGRX-FFHGMXDLSA-N 2 2 295.427 0.744 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000418717842 529560792 /nfs/dbraw/zinc/56/07/92/529560792.db2.gz HHBMPHTVJUKSSU-NEPJUHHUSA-N 2 2 272.393 0.134 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000418717842 529560795 /nfs/dbraw/zinc/56/07/95/529560795.db2.gz HHBMPHTVJUKSSU-NEPJUHHUSA-N 2 2 272.393 0.134 20 0 CCADLP COCC[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000104717049 349717598 /nfs/dbraw/zinc/71/75/98/349717598.db2.gz AFOOPRATDKTDPU-UHFFFAOYSA-N 2 2 251.330 0.859 20 0 CCADLP C[C@H]([C@H](C)NC(=O)CCCn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000104598784 349717799 /nfs/dbraw/zinc/71/77/99/349717799.db2.gz JUCBCSPKODKBFK-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP COc1cccc(CNC(=O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000107576207 349738954 /nfs/dbraw/zinc/73/89/54/349738954.db2.gz IMHAOCHVHHFUBU-KBPBESRZSA-N 2 2 289.379 0.463 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)CC[NH+]1CCCC1 ZINC000112743243 349791410 /nfs/dbraw/zinc/79/14/10/349791410.db2.gz YFZWECYCKJANKL-CQSZACIVSA-N 2 2 298.431 0.444 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617719067 365723506 /nfs/dbraw/zinc/72/35/06/365723506.db2.gz HFRSTWVUZVTITJ-NWDGAFQWSA-N 2 2 280.372 0.417 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000617719067 365723513 /nfs/dbraw/zinc/72/35/13/365723513.db2.gz HFRSTWVUZVTITJ-NWDGAFQWSA-N 2 2 280.372 0.417 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000617718641 365723803 /nfs/dbraw/zinc/72/38/03/365723803.db2.gz AUFATRAXUWXCBR-YNEHKIRRSA-N 2 2 294.399 0.814 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000617718641 365723806 /nfs/dbraw/zinc/72/38/06/365723806.db2.gz AUFATRAXUWXCBR-YNEHKIRRSA-N 2 2 294.399 0.814 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)c1cccs1 ZINC000245496240 282244839 /nfs/dbraw/zinc/24/48/39/282244839.db2.gz RAVNLDPICQYMIQ-NEPJUHHUSA-N 2 2 297.424 0.798 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)c1cccs1 ZINC000245496240 282244843 /nfs/dbraw/zinc/24/48/43/282244843.db2.gz RAVNLDPICQYMIQ-NEPJUHHUSA-N 2 2 297.424 0.798 20 0 CCADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000601294085 362206106 /nfs/dbraw/zinc/20/61/06/362206106.db2.gz MZQSVKJHRJLREG-BJDJZHNGSA-N 2 2 285.388 0.125 20 0 CCADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000601294085 362206112 /nfs/dbraw/zinc/20/61/12/362206112.db2.gz MZQSVKJHRJLREG-BJDJZHNGSA-N 2 2 285.388 0.125 20 0 CCADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000601294086 362206133 /nfs/dbraw/zinc/20/61/33/362206133.db2.gz MZQSVKJHRJLREG-FIQHERPVSA-N 2 2 285.388 0.125 20 0 CCADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000601294086 362206139 /nfs/dbraw/zinc/20/61/39/362206139.db2.gz MZQSVKJHRJLREG-FIQHERPVSA-N 2 2 285.388 0.125 20 0 CCADLP C[C@H](CCNC(=O)[C@H](c1c[nH+]cn1C)N(C)C)[NH+](C)C ZINC000617757851 365760785 /nfs/dbraw/zinc/76/07/85/365760785.db2.gz CCCHIPUFYCUETJ-YPMHNXCESA-N 2 2 281.404 0.479 20 0 CCADLP C[C@@H](CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH+](C)C ZINC000617759362 365762270 /nfs/dbraw/zinc/76/22/70/365762270.db2.gz FLJGFEPGJGZMMC-RYUDHWBXSA-N 2 2 264.373 0.902 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1([NH+](C)C)CC1 ZINC000617761858 365765113 /nfs/dbraw/zinc/76/51/13/365765113.db2.gz ALUDTZMLWSTCNM-UHFFFAOYSA-N 3 2 270.421 0.080 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1([NH+](C)C)CC1 ZINC000617761858 365765118 /nfs/dbraw/zinc/76/51/18/365765118.db2.gz ALUDTZMLWSTCNM-UHFFFAOYSA-N 3 2 270.421 0.080 20 0 CCADLP Cc1c[nH]nc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617762326 365765229 /nfs/dbraw/zinc/76/52/29/365765229.db2.gz MTFXKJPAFDRAOT-UHFFFAOYSA-N 2 2 267.377 0.331 20 0 CCADLP Cc1c[nH]nc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617762326 365765231 /nfs/dbraw/zinc/76/52/31/365765231.db2.gz MTFXKJPAFDRAOT-UHFFFAOYSA-N 2 2 267.377 0.331 20 0 CCADLP C[C@@H](CC(=O)NCC[N@H+](C)CCC[NH+](C)C)n1cccn1 ZINC000617763693 365766225 /nfs/dbraw/zinc/76/62/25/365766225.db2.gz XTTLOQJSMXLEJM-AWEZNQCLSA-N 2 2 295.431 0.834 20 0 CCADLP C[C@@H](CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1cccn1 ZINC000617763693 365766231 /nfs/dbraw/zinc/76/62/31/365766231.db2.gz XTTLOQJSMXLEJM-AWEZNQCLSA-N 2 2 295.431 0.834 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000617764434 365768059 /nfs/dbraw/zinc/76/80/59/365768059.db2.gz XIURDWLPYGVLQK-OAHLLOKOSA-N 3 2 296.459 0.613 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000617764434 365768061 /nfs/dbraw/zinc/76/80/61/365768061.db2.gz XIURDWLPYGVLQK-OAHLLOKOSA-N 3 2 296.459 0.613 20 0 CCADLP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000617764434 365768070 /nfs/dbraw/zinc/76/80/70/365768070.db2.gz XIURDWLPYGVLQK-OAHLLOKOSA-N 3 2 296.459 0.613 20 0 CCADLP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000617764434 365768078 /nfs/dbraw/zinc/76/80/78/365768078.db2.gz XIURDWLPYGVLQK-OAHLLOKOSA-N 3 2 296.459 0.613 20 0 CCADLP C[C@@H]1OCC[C@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764743 365769211 /nfs/dbraw/zinc/76/92/11/365769211.db2.gz DUDGGXDPRYNBML-QWHCGFSZSA-N 2 2 271.405 0.411 20 0 CCADLP C[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764743 365769216 /nfs/dbraw/zinc/76/92/16/365769216.db2.gz DUDGGXDPRYNBML-QWHCGFSZSA-N 2 2 271.405 0.411 20 0 CCADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1cc(O)cc(F)c1 ZINC000414981992 529780209 /nfs/dbraw/zinc/78/02/09/529780209.db2.gz YLRYDWFOLFMJRQ-LBPRGKRZSA-N 2 2 253.321 0.525 20 0 CCADLP CC(C)CC[C@H](O)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000361227830 534948693 /nfs/dbraw/zinc/94/86/93/534948693.db2.gz HTBWTIQELDLDIL-AWEZNQCLSA-N 2 2 285.432 0.489 20 0 CCADLP CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)CCC[NH3+])C1 ZINC000423924822 529815290 /nfs/dbraw/zinc/81/52/90/529815290.db2.gz FASRYQOIKUAUCZ-LBPRGKRZSA-N 2 2 292.383 0.866 20 0 CCADLP CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)CC[NH3+])C1 ZINC000423929973 529815310 /nfs/dbraw/zinc/81/53/10/529815310.db2.gz NFVXJGSJDYOLEJ-NSHDSACASA-N 2 2 278.356 0.476 20 0 CCADLP CN(C)c1[nH+]cc(CN2CCC[N@H+](C)CC2)n1C ZINC000425325032 529807332 /nfs/dbraw/zinc/80/73/32/529807332.db2.gz NPPMRBYINXTAQC-UHFFFAOYSA-N 2 2 251.378 0.624 20 0 CCADLP CN(C)c1[nH+]cc(CN2CCC[N@@H+](C)CC2)n1C ZINC000425325032 529807333 /nfs/dbraw/zinc/80/73/33/529807333.db2.gz NPPMRBYINXTAQC-UHFFFAOYSA-N 2 2 251.378 0.624 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCS[C@@H](C(C)C)C1 ZINC000576422235 335201982 /nfs/dbraw/zinc/20/19/82/335201982.db2.gz OBGFFCPIUTTWOO-ZIAGYGMSSA-N 2 2 290.473 0.999 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCS[C@@H](C(C)C)C1 ZINC000576422235 335201983 /nfs/dbraw/zinc/20/19/83/335201983.db2.gz OBGFFCPIUTTWOO-ZIAGYGMSSA-N 2 2 290.473 0.999 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCS[C@@H](C(C)C)C1 ZINC000576422235 335201985 /nfs/dbraw/zinc/20/19/85/335201985.db2.gz OBGFFCPIUTTWOO-ZIAGYGMSSA-N 2 2 290.473 0.999 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000237349457 290707507 /nfs/dbraw/zinc/70/75/07/290707507.db2.gz VVTUCXHWFUSDCK-QJPTWQEYSA-N 2 2 257.378 0.067 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418750430 529910843 /nfs/dbraw/zinc/91/08/43/529910843.db2.gz OKFWJPGUMMZREG-AWEZNQCLSA-N 2 2 298.431 0.492 20 0 CCADLP CN(CC[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+]2CCO[C@H]1C2 ZINC000451137132 529932050 /nfs/dbraw/zinc/93/20/50/529932050.db2.gz HMSOWVWXBDHGDW-ILXRZTDVSA-N 2 2 267.417 0.876 20 0 CCADLP CN(CC[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+]2CCO[C@H]1C2 ZINC000451137132 529932051 /nfs/dbraw/zinc/93/20/51/529932051.db2.gz HMSOWVWXBDHGDW-ILXRZTDVSA-N 2 2 267.417 0.876 20 0 CCADLP CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)C(C)(C)[NH3+])C1 ZINC000423933457 282327870 /nfs/dbraw/zinc/32/78/70/282327870.db2.gz VUJVOFSFLWORHY-NSHDSACASA-N 2 2 292.383 0.865 20 0 CCADLP C[NH2+]CCCNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000418277372 529967484 /nfs/dbraw/zinc/96/74/84/529967484.db2.gz ILYJMZFKNFOWCA-ZDUSSCGKSA-N 2 2 284.404 0.102 20 0 CCADLP C[NH2+]CCCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000418279928 529967713 /nfs/dbraw/zinc/96/77/13/529967713.db2.gz QKHSTKVFRRQAIN-CYBMUJFWSA-N 2 2 278.356 0.854 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000418217011 529983203 /nfs/dbraw/zinc/98/32/03/529983203.db2.gz OXASTQGRJSSTMG-YPMHNXCESA-N 2 2 284.404 0.004 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000418217011 529983204 /nfs/dbraw/zinc/98/32/04/529983204.db2.gz OXASTQGRJSSTMG-YPMHNXCESA-N 2 2 284.404 0.004 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000418108158 529995981 /nfs/dbraw/zinc/99/59/81/529995981.db2.gz ALIBNNQDHFMUAK-LBPRGKRZSA-N 2 2 284.404 0.006 20 0 CCADLP C[NH2+][C@@H](C)CNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000418621132 530039058 /nfs/dbraw/zinc/03/90/58/530039058.db2.gz SIDDXLIKXCXQHQ-AAEUAGOBSA-N 2 2 278.356 0.852 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000342607249 232033768 /nfs/dbraw/zinc/03/37/68/232033768.db2.gz PTLIDNVCUUGRQE-PWSUYJOCSA-N 2 2 250.346 0.777 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000342607249 232033770 /nfs/dbraw/zinc/03/37/70/232033770.db2.gz PTLIDNVCUUGRQE-PWSUYJOCSA-N 2 2 250.346 0.777 20 0 CCADLP Cc1cccc2ncc(C[NH2+]C[C@]3(O)CC[N@@H+](C)C3)n21 ZINC000358164144 232055209 /nfs/dbraw/zinc/05/52/09/232055209.db2.gz NCSBRDCWQOIWQM-OAHLLOKOSA-N 2 2 274.368 0.799 20 0 CCADLP Cc1cccc2ncc(C[NH2+]C[C@]3(O)CC[N@H+](C)C3)n21 ZINC000358164144 232055213 /nfs/dbraw/zinc/05/52/13/232055213.db2.gz NCSBRDCWQOIWQM-OAHLLOKOSA-N 2 2 274.368 0.799 20 0 CCADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C[NH+](C)C ZINC000162873998 290742358 /nfs/dbraw/zinc/74/23/58/290742358.db2.gz GTRHNQHKUWLSMU-UHFFFAOYSA-N 2 2 271.405 0.365 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3csnn3)C2)CC1 ZINC000602195847 362552504 /nfs/dbraw/zinc/55/25/04/362552504.db2.gz NPMFABHKDJOMJS-SNVBAGLBSA-N 2 2 295.412 0.436 20 0 CCADLP C[C@H](CO)[N@@H+](CC(=O)N1CC[NH+](C)CC1)CC1CCC1 ZINC000361492569 232140019 /nfs/dbraw/zinc/14/00/19/232140019.db2.gz JQDDQRPHBNCILO-CYBMUJFWSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@H](CO)[N@H+](CC(=O)N1CC[NH+](C)CC1)CC1CCC1 ZINC000361492569 232140020 /nfs/dbraw/zinc/14/00/20/232140020.db2.gz JQDDQRPHBNCILO-CYBMUJFWSA-N 2 2 283.416 0.243 20 0 CCADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000655245389 412520204 /nfs/dbraw/zinc/52/02/04/412520204.db2.gz MEDRNDUDQDJVPZ-OKILXGFUSA-N 2 2 295.427 0.698 20 0 CCADLP COC(=O)c1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)[nH]c1C ZINC000602493746 362643868 /nfs/dbraw/zinc/64/38/68/362643868.db2.gz KPMIHVXXTCLKCS-PHIMTYICSA-N 2 2 263.341 0.761 20 0 CCADLP COC(=O)c1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)[nH]c1C ZINC000602493746 362643876 /nfs/dbraw/zinc/64/38/76/362643876.db2.gz KPMIHVXXTCLKCS-PHIMTYICSA-N 2 2 263.341 0.761 20 0 CCADLP CCOC(=O)c1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)[nH]1 ZINC000602526054 362658236 /nfs/dbraw/zinc/65/82/36/362658236.db2.gz NXXHQSMGGMMSTF-ZDUSSCGKSA-N 2 2 295.383 0.738 20 0 CCADLP CC(C)[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C)N1CC[NH+](C)CC1 ZINC000422964010 535019071 /nfs/dbraw/zinc/01/90/71/535019071.db2.gz KEDQFPHBTLYWSY-XHSDSOJGSA-N 3 2 282.476 0.846 20 0 CCADLP c1cn(CC[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)c[nH+]1 ZINC000367571488 232391669 /nfs/dbraw/zinc/39/16/69/232391669.db2.gz AXRUGROZEXHLNP-OLZOCXBDSA-N 2 2 251.330 0.763 20 0 CCADLP c1cn(CC[N@H+]2CCOC[C@@H]2[C@@H]2CCCO2)c[nH+]1 ZINC000367571488 232391676 /nfs/dbraw/zinc/39/16/76/232391676.db2.gz AXRUGROZEXHLNP-OLZOCXBDSA-N 2 2 251.330 0.763 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@]2(CC)CC[NH2+]C2)CC1 ZINC000119593088 349943910 /nfs/dbraw/zinc/94/39/10/349943910.db2.gz GWSHANJJMBKXDH-OAHLLOKOSA-N 2 2 283.416 0.557 20 0 CCADLP COC(=O)c1cc(C[NH2+]CCn2cc[nH+]c2C)on1 ZINC000602533862 362663842 /nfs/dbraw/zinc/66/38/42/362663842.db2.gz PXQKGQDKEMSCRH-UHFFFAOYSA-N 2 2 264.285 0.756 20 0 CCADLP CCN(C#N)CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000602779196 362796480 /nfs/dbraw/zinc/79/64/80/362796480.db2.gz FOZSYZAGOJWJKB-CQSZACIVSA-N 2 2 266.389 0.443 20 0 CCADLP CCN(C#N)CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000602779196 362796481 /nfs/dbraw/zinc/79/64/81/362796481.db2.gz FOZSYZAGOJWJKB-CQSZACIVSA-N 2 2 266.389 0.443 20 0 CCADLP C[C@@H]1C[N@H+](CCc2c[nH+]cn2C)CC[S@](=O)C1 ZINC000602824699 362820247 /nfs/dbraw/zinc/82/02/47/362820247.db2.gz ZYUVOQRFOYARNL-DIFFPNOSSA-N 2 2 255.387 0.663 20 0 CCADLP C[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)CC[S@](=O)C1 ZINC000602824699 362820250 /nfs/dbraw/zinc/82/02/50/362820250.db2.gz ZYUVOQRFOYARNL-DIFFPNOSSA-N 2 2 255.387 0.663 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000618181485 365917603 /nfs/dbraw/zinc/91/76/03/365917603.db2.gz IDPCHELSWYNWKM-GFCCVEGCSA-N 2 2 278.356 0.194 20 0 CCADLP CC(=O)[C@@H](NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+])C(C)C ZINC000250708824 137001256 /nfs/dbraw/zinc/00/12/56/137001256.db2.gz ZRLDPAZADQEJEO-ZFWWWQNUSA-N 2 2 283.416 0.920 20 0 CCADLP CC(=O)[C@@H](NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+])C(C)C ZINC000250708824 137001257 /nfs/dbraw/zinc/00/12/57/137001257.db2.gz ZRLDPAZADQEJEO-ZFWWWQNUSA-N 2 2 283.416 0.920 20 0 CCADLP NC(=O)c1csc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000250749549 137001385 /nfs/dbraw/zinc/00/13/85/137001385.db2.gz CJEJPUOKTSLGID-RYUDHWBXSA-N 2 2 295.408 0.800 20 0 CCADLP NC(=O)c1csc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000250749549 137001386 /nfs/dbraw/zinc/00/13/86/137001386.db2.gz CJEJPUOKTSLGID-RYUDHWBXSA-N 2 2 295.408 0.800 20 0 CCADLP NC(=O)c1csc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000250749546 137001408 /nfs/dbraw/zinc/00/14/08/137001408.db2.gz CJEJPUOKTSLGID-NWDGAFQWSA-N 2 2 295.408 0.800 20 0 CCADLP NC(=O)c1csc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000250749546 137001409 /nfs/dbraw/zinc/00/14/09/137001409.db2.gz CJEJPUOKTSLGID-NWDGAFQWSA-N 2 2 295.408 0.800 20 0 CCADLP Cc1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000257678712 137005420 /nfs/dbraw/zinc/00/54/20/137005420.db2.gz GJXOJUKZDDUKTK-OAHLLOKOSA-N 2 2 260.385 0.870 20 0 CCADLP C[C@@H](CC(=O)N(C)CC1C[NH+](C)C1)n1cc[nH+]c1 ZINC000618188618 365919687 /nfs/dbraw/zinc/91/96/87/365919687.db2.gz DMRPWPFJTHTXEB-NSHDSACASA-N 2 2 250.346 0.854 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCCCC1 ZINC000261573296 137009411 /nfs/dbraw/zinc/00/94/11/137009411.db2.gz MEJBONKBTAFHKP-OLZOCXBDSA-N 2 2 251.374 0.540 20 0 CCADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCCCC1 ZINC000261573296 137009412 /nfs/dbraw/zinc/00/94/12/137009412.db2.gz MEJBONKBTAFHKP-OLZOCXBDSA-N 2 2 251.374 0.540 20 0 CCADLP CC1CCN(C(=O)C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000261579817 137009947 /nfs/dbraw/zinc/00/99/47/137009947.db2.gz FAUOUHMREGTOMX-KGLIPLIRSA-N 2 2 265.401 0.786 20 0 CCADLP CC1CCN(C(=O)C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000261579817 137009948 /nfs/dbraw/zinc/00/99/48/137009948.db2.gz FAUOUHMREGTOMX-KGLIPLIRSA-N 2 2 265.401 0.786 20 0 CCADLP COc1c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c(C)nn1C ZINC000261581460 137010284 /nfs/dbraw/zinc/01/02/84/137010284.db2.gz GBQKCTMSBVRHCT-AAEUAGOBSA-N 2 2 264.373 0.921 20 0 CCADLP COc1c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c(C)nn1C ZINC000261581460 137010285 /nfs/dbraw/zinc/01/02/85/137010285.db2.gz GBQKCTMSBVRHCT-AAEUAGOBSA-N 2 2 264.373 0.921 20 0 CCADLP CC1(C)CC[N@H+](CC2CC[NH2+]CC2)CCS1(=O)=O ZINC000261620515 137012896 /nfs/dbraw/zinc/01/28/96/137012896.db2.gz BSHOXVFEGXVTMR-UHFFFAOYSA-N 2 2 274.430 0.885 20 0 CCADLP CC1(C)CC[N@@H+](CC2CC[NH2+]CC2)CCS1(=O)=O ZINC000261620515 137012897 /nfs/dbraw/zinc/01/28/97/137012897.db2.gz BSHOXVFEGXVTMR-UHFFFAOYSA-N 2 2 274.430 0.885 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262345101 137039187 /nfs/dbraw/zinc/03/91/87/137039187.db2.gz ILUJDPBRIWUGRL-IJEWVQPXSA-N 2 2 295.427 0.603 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262345101 137039188 /nfs/dbraw/zinc/03/91/88/137039188.db2.gz ILUJDPBRIWUGRL-IJEWVQPXSA-N 2 2 295.427 0.603 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)C[C@H]1[NH+]1CCOCC1 ZINC000262354986 137039715 /nfs/dbraw/zinc/03/97/15/137039715.db2.gz HUDMVAYLNDDKAE-CBBWQLFWSA-N 2 2 295.427 0.554 20 0 CCADLP COC[C@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000262387002 137041765 /nfs/dbraw/zinc/04/17/65/137041765.db2.gz YMHBUPKBFRCAPK-JQWIXIFHSA-N 2 2 297.424 0.585 20 0 CCADLP COC[C@H]([NH3+])C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000262387002 137041766 /nfs/dbraw/zinc/04/17/66/137041766.db2.gz YMHBUPKBFRCAPK-JQWIXIFHSA-N 2 2 297.424 0.585 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000262660924 137049731 /nfs/dbraw/zinc/04/97/31/137049731.db2.gz GBCWLIHQECTDCQ-LLVKDONJSA-N 2 2 250.346 0.765 20 0 CCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262988732 137056547 /nfs/dbraw/zinc/05/65/47/137056547.db2.gz NMFPPABQIDIZMN-NSHDSACASA-N 2 2 298.337 0.875 20 0 CCADLP C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCN(CC[NH3+])CC2)C1 ZINC000263024229 137057129 /nfs/dbraw/zinc/05/71/29/137057129.db2.gz RDONZGHQPKLJJD-KBPBESRZSA-N 2 2 282.432 0.067 20 0 CCADLP O=c1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)nc2ccccn12 ZINC000261813136 137020983 /nfs/dbraw/zinc/02/09/83/137020983.db2.gz ZYMNDYYJICWLTP-INIZCTEOSA-N 2 2 284.363 0.880 20 0 CCADLP O=c1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)nc2ccccn12 ZINC000261813136 137020984 /nfs/dbraw/zinc/02/09/84/137020984.db2.gz ZYMNDYYJICWLTP-INIZCTEOSA-N 2 2 284.363 0.880 20 0 CCADLP Cn1ccnc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261837840 137022261 /nfs/dbraw/zinc/02/22/61/137022261.db2.gz AEGYVZFOMHUEGH-XQQFMLRXSA-N 2 2 264.373 0.667 20 0 CCADLP C[C@@H]([NH3+])CC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000261861619 137023008 /nfs/dbraw/zinc/02/30/08/137023008.db2.gz PSYJXEFVLCMQPB-LLVKDONJSA-N 2 2 278.356 0.272 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000618190818 365923110 /nfs/dbraw/zinc/92/31/10/365923110.db2.gz HWARPZPLDHRRAL-UHFFFAOYSA-N 2 2 250.346 0.707 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261896166 137024926 /nfs/dbraw/zinc/02/49/26/137024926.db2.gz ULUQZAYEJZDEMD-STQMWFEESA-N 2 2 269.389 0.213 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261896166 137024927 /nfs/dbraw/zinc/02/49/27/137024927.db2.gz ULUQZAYEJZDEMD-STQMWFEESA-N 2 2 269.389 0.213 20 0 CCADLP C[C@]1(C[NH3+])CC[N@H+](Cc2cn(Cc3cccnc3)nn2)C1 ZINC000261903180 137025333 /nfs/dbraw/zinc/02/53/33/137025333.db2.gz WUFFZQBRHPLFBG-OAHLLOKOSA-N 2 2 286.383 0.892 20 0 CCADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2cn(Cc3cccnc3)nn2)C1 ZINC000261903180 137025334 /nfs/dbraw/zinc/02/53/34/137025334.db2.gz WUFFZQBRHPLFBG-OAHLLOKOSA-N 2 2 286.383 0.892 20 0 CCADLP Cn1cc[nH+]c1CN1CC[NH2+]C[C@H]1c1nccn1C ZINC000261924518 137026222 /nfs/dbraw/zinc/02/62/22/137026222.db2.gz BYUPLXWESOGZRE-NSHDSACASA-N 2 2 260.345 0.300 20 0 CCADLP CC(C)([NH3+])CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000261976878 137027243 /nfs/dbraw/zinc/02/72/43/137027243.db2.gz GHIOJLRGIIPTGX-SNVBAGLBSA-N 2 2 265.361 0.587 20 0 CCADLP CCn1nccc1C[N@H+](CCO)C[C@@]1(C)CC[NH2+]C1 ZINC000262016571 137028245 /nfs/dbraw/zinc/02/82/45/137028245.db2.gz MUTLFSVHARWQHU-AWEZNQCLSA-N 2 2 266.389 0.697 20 0 CCADLP CCn1nccc1C[N@@H+](CCO)C[C@@]1(C)CC[NH2+]C1 ZINC000262016571 137028246 /nfs/dbraw/zinc/02/82/46/137028246.db2.gz MUTLFSVHARWQHU-AWEZNQCLSA-N 2 2 266.389 0.697 20 0 CCADLP Cn1cc(N2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)cn1 ZINC000262007970 137028586 /nfs/dbraw/zinc/02/85/86/137028586.db2.gz MAKMKRARYFSNSQ-CQSZACIVSA-N 2 2 263.389 0.542 20 0 CCADLP [NH3+]CC[N@H+](CCO)CCC(=O)NCC1CCCCC1 ZINC000342433551 137093892 /nfs/dbraw/zinc/09/38/92/137093892.db2.gz JPRPPPAYHVLIMJ-UHFFFAOYSA-N 2 2 271.405 0.326 20 0 CCADLP [NH3+]CC[N@@H+](CCO)CCC(=O)NCC1CCCCC1 ZINC000342433551 137093893 /nfs/dbraw/zinc/09/38/93/137093893.db2.gz JPRPPPAYHVLIMJ-UHFFFAOYSA-N 2 2 271.405 0.326 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000342477330 137096605 /nfs/dbraw/zinc/09/66/05/137096605.db2.gz QYNQPPFUCQWPSG-CQSZACIVSA-N 2 2 283.416 0.507 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000342477330 137096606 /nfs/dbraw/zinc/09/66/06/137096606.db2.gz QYNQPPFUCQWPSG-CQSZACIVSA-N 2 2 283.416 0.507 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CCCCNC1=O ZINC000120261322 349977268 /nfs/dbraw/zinc/97/72/68/349977268.db2.gz PTIULMPAHSDBLT-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCCCNC1=O ZINC000120261322 349977272 /nfs/dbraw/zinc/97/72/72/349977272.db2.gz PTIULMPAHSDBLT-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](O)COCC(C)C)C1 ZINC000343714439 137152050 /nfs/dbraw/zinc/15/20/50/137152050.db2.gz NYNZTBAQBFIBMN-BFHYXJOUSA-N 2 2 258.406 0.950 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](O)COCC(C)C)C1 ZINC000343714439 137152051 /nfs/dbraw/zinc/15/20/51/137152051.db2.gz NYNZTBAQBFIBMN-BFHYXJOUSA-N 2 2 258.406 0.950 20 0 CCADLP C[C@H](C(=O)N(C)CCC[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000343744295 137153832 /nfs/dbraw/zinc/15/38/32/137153832.db2.gz BNPPXPVHHDOSJD-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP C[NH+](C)CCn1ccc(=NC(=O)C23CCC[NH+]2CCC3)[nH]1 ZINC000343284616 137124675 /nfs/dbraw/zinc/12/46/75/137124675.db2.gz UJGDZOATQDKNLH-UHFFFAOYSA-N 2 2 291.399 0.434 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000343344375 137129561 /nfs/dbraw/zinc/12/95/61/137129561.db2.gz CZAIDABIEFUBNR-NFAWXSAZSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000343344375 137129562 /nfs/dbraw/zinc/12/95/62/137129562.db2.gz CZAIDABIEFUBNR-NFAWXSAZSA-N 2 2 295.427 0.839 20 0 CCADLP CC(C)[C@@H](C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)[NH+](C)C ZINC000344348829 137190014 /nfs/dbraw/zinc/19/00/14/137190014.db2.gz RKZSXOBYHOEHKA-GWCFXTLKSA-N 2 2 264.373 0.969 20 0 CCADLP CC(C)[C@@H](C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)[NH+](C)C ZINC000344348829 137190015 /nfs/dbraw/zinc/19/00/15/137190015.db2.gz RKZSXOBYHOEHKA-GWCFXTLKSA-N 2 2 264.373 0.969 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000344227327 137185011 /nfs/dbraw/zinc/18/50/11/137185011.db2.gz STKRVVRJGZGRRL-GDBMZVCRSA-N 3 2 282.476 0.800 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000344227327 137185012 /nfs/dbraw/zinc/18/50/12/137185012.db2.gz STKRVVRJGZGRRL-GDBMZVCRSA-N 3 2 282.476 0.800 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]CC1=CCCOC1 ZINC000344222312 137185086 /nfs/dbraw/zinc/18/50/86/137185086.db2.gz XHJJXLWICPZTRU-ZDUSSCGKSA-N 2 2 267.373 0.263 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]CC1=CCCOC1 ZINC000344222312 137185087 /nfs/dbraw/zinc/18/50/87/137185087.db2.gz XHJJXLWICPZTRU-ZDUSSCGKSA-N 2 2 267.373 0.263 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000414981540 282973822 /nfs/dbraw/zinc/97/38/22/282973822.db2.gz XSBZVZXDAKTQAW-LXTVHRRPSA-N 3 2 266.433 0.400 20 0 CCADLP C[N@H+](Cc1cc(=O)n2ccccc2n1)C1CC[NH2+]CC1 ZINC000036300642 348165958 /nfs/dbraw/zinc/16/59/58/348165958.db2.gz ZUDZCKOLDUAACC-UHFFFAOYSA-N 2 2 272.352 0.878 20 0 CCADLP C[N@@H+](Cc1cc(=O)n2ccccc2n1)C1CC[NH2+]CC1 ZINC000036300642 348165959 /nfs/dbraw/zinc/16/59/59/348165959.db2.gz ZUDZCKOLDUAACC-UHFFFAOYSA-N 2 2 272.352 0.878 20 0 CCADLP [NH3+]C1CC[NH+](CC(=O)NC(=O)NC2CCCC2)CC1 ZINC000036754667 348169897 /nfs/dbraw/zinc/16/98/97/348169897.db2.gz AOMCNNWEAQDIER-UHFFFAOYSA-N 2 2 268.361 0.178 20 0 CCADLP CC(C)C[C@@H](CNC(=O)[C@H]1CCCC[NH2+]1)[NH+]1CCOCC1 ZINC000040824551 348243669 /nfs/dbraw/zinc/24/36/69/348243669.db2.gz WDRXGMULEUXRLO-LSDHHAIUSA-N 2 2 297.443 0.992 20 0 CCADLP CC[C@]1(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CCC[NH2+]1 ZINC000128805390 187391651 /nfs/dbraw/zinc/39/16/51/187391651.db2.gz LZSILAAZTBLHBM-GXTWGEPZSA-N 2 2 269.389 0.356 20 0 CCADLP CC[NH+]1C[C@H](C)N(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@@H]1C ZINC000345916514 137259613 /nfs/dbraw/zinc/25/96/13/137259613.db2.gz JJPVWGIJUCRISS-IHRRRGAJSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1C[C@H](C)N(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@@H]1C ZINC000345916514 137259614 /nfs/dbraw/zinc/25/96/14/137259614.db2.gz JJPVWGIJUCRISS-IHRRRGAJSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H](C)[N@H+](CC)C[C@@H]2C)C1 ZINC000345916514 137259615 /nfs/dbraw/zinc/25/96/15/137259615.db2.gz JJPVWGIJUCRISS-IHRRRGAJSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)C1 ZINC000345916514 137259616 /nfs/dbraw/zinc/25/96/16/137259616.db2.gz JJPVWGIJUCRISS-IHRRRGAJSA-N 2 2 283.416 0.648 20 0 CCADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)NC[C@H]3CCCO3)C2)C1 ZINC000339433497 215168147 /nfs/dbraw/zinc/16/81/47/215168147.db2.gz KOCKUHMMNSUJSU-GDBMZVCRSA-N 2 2 295.427 0.699 20 0 CCADLP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)NC[C@H]3CCCO3)C2)C1 ZINC000339433497 215168150 /nfs/dbraw/zinc/16/81/50/215168150.db2.gz KOCKUHMMNSUJSU-GDBMZVCRSA-N 2 2 295.427 0.699 20 0 CCADLP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)NC[C@H]3CCCO3)C2)C1 ZINC000339433497 215168153 /nfs/dbraw/zinc/16/81/53/215168153.db2.gz KOCKUHMMNSUJSU-GDBMZVCRSA-N 2 2 295.427 0.699 20 0 CCADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)NC[C@H]3CCCO3)C2)C1 ZINC000339433497 215168155 /nfs/dbraw/zinc/16/81/55/215168155.db2.gz KOCKUHMMNSUJSU-GDBMZVCRSA-N 2 2 295.427 0.699 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000346130156 137268811 /nfs/dbraw/zinc/26/88/11/137268811.db2.gz GGXRNDCCHYVGBO-OCCSQVGLSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000346130156 137268812 /nfs/dbraw/zinc/26/88/12/137268812.db2.gz GGXRNDCCHYVGBO-OCCSQVGLSA-N 2 2 283.416 0.696 20 0 CCADLP C[NH+]1CCC(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000346141370 137269352 /nfs/dbraw/zinc/26/93/52/137269352.db2.gz ZASQYZMIKBYICA-UHFFFAOYSA-N 2 2 291.399 0.396 20 0 CCADLP CC[N@@H+]1C[C@@H](C)N(CC[NH+]2CCOCC2)C[C@H]1C ZINC000346192620 137271885 /nfs/dbraw/zinc/27/18/85/137271885.db2.gz POSGWXOEVBDIFK-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP CC[N@H+]1C[C@@H](C)N(CC[NH+]2CCOCC2)C[C@H]1C ZINC000346192620 137271886 /nfs/dbraw/zinc/27/18/86/137271886.db2.gz POSGWXOEVBDIFK-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP COC(=O)[C@@]1(C)C[C@H](OC)C[N@@H+]1CCn1cc[nH+]c1 ZINC000602946344 362903476 /nfs/dbraw/zinc/90/34/76/362903476.db2.gz UIFNDSYICHABAZ-WCQYABFASA-N 2 2 267.329 0.536 20 0 CCADLP COC(=O)[C@@]1(C)C[C@H](OC)C[N@H+]1CCn1cc[nH+]c1 ZINC000602946344 362903477 /nfs/dbraw/zinc/90/34/77/362903477.db2.gz UIFNDSYICHABAZ-WCQYABFASA-N 2 2 267.329 0.536 20 0 CCADLP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000347528503 137341698 /nfs/dbraw/zinc/34/16/98/137341698.db2.gz IEUDWVMWVMMBGW-DGCLKSJQSA-N 2 2 266.389 0.836 20 0 CCADLP CCOCC[NH+]1CCN(CCc2c[nH+]cn2C)CC1 ZINC000347736139 137353557 /nfs/dbraw/zinc/35/35/57/137353557.db2.gz OKJCRYZPKFJOBB-UHFFFAOYSA-N 2 2 266.389 0.617 20 0 CCADLP CC(=O)N1CCC[N@@H+](CCc2c[nH+]cn2C)CC1 ZINC000347738902 137354027 /nfs/dbraw/zinc/35/40/27/137354027.db2.gz WVEIPECTWRMTQD-UHFFFAOYSA-N 2 2 250.346 0.517 20 0 CCADLP CC(=O)N1CCC[N@H+](CCc2c[nH+]cn2C)CC1 ZINC000347738902 137354028 /nfs/dbraw/zinc/35/40/28/137354028.db2.gz WVEIPECTWRMTQD-UHFFFAOYSA-N 2 2 250.346 0.517 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCN2CCOC[C@@H]2C)C1 ZINC000347767260 137355763 /nfs/dbraw/zinc/35/57/63/137355763.db2.gz CNGOXFFSJZGRBM-MELADBBJSA-N 2 2 255.406 0.637 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCN2CCOC[C@@H]2C)C1 ZINC000347767260 137355764 /nfs/dbraw/zinc/35/57/64/137355764.db2.gz CNGOXFFSJZGRBM-MELADBBJSA-N 2 2 255.406 0.637 20 0 CCADLP COC(=O)[C@@H]([N@@H+]1CC[C@H](C[NH+](C)C)C1)C1(OC)CCC1 ZINC000347821884 137359347 /nfs/dbraw/zinc/35/93/47/137359347.db2.gz YUJVDXYCOOJJRB-CHWSQXEVSA-N 2 2 284.400 0.981 20 0 CCADLP COC(=O)[C@@H]([N@H+]1CC[C@H](C[NH+](C)C)C1)C1(OC)CCC1 ZINC000347821884 137359348 /nfs/dbraw/zinc/35/93/48/137359348.db2.gz YUJVDXYCOOJJRB-CHWSQXEVSA-N 2 2 284.400 0.981 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@@H+]1CCOC[C@H]1C)[NH+](C)C ZINC000348820157 137377733 /nfs/dbraw/zinc/37/77/33/137377733.db2.gz WKEYIXZKCKYZEU-CHWSQXEVSA-N 2 2 271.405 0.410 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@H+]1CCOC[C@H]1C)[NH+](C)C ZINC000348820157 137377734 /nfs/dbraw/zinc/37/77/34/137377734.db2.gz WKEYIXZKCKYZEU-CHWSQXEVSA-N 2 2 271.405 0.410 20 0 CCADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000050247313 348472027 /nfs/dbraw/zinc/47/20/27/348472027.db2.gz BDUWXZVTZOSVSQ-JTQLQIEISA-N 2 2 268.361 0.035 20 0 CCADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000050247313 348472030 /nfs/dbraw/zinc/47/20/30/348472030.db2.gz BDUWXZVTZOSVSQ-JTQLQIEISA-N 2 2 268.361 0.035 20 0 CCADLP CNS(=O)(=O)C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000339499242 215211022 /nfs/dbraw/zinc/21/10/22/215211022.db2.gz NLJPLOWHEXPVJB-UHFFFAOYSA-N 2 2 286.401 0.287 20 0 CCADLP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CN(C)CCN2C)CC1 ZINC000068800699 348822596 /nfs/dbraw/zinc/82/25/96/348822596.db2.gz LAUXLDABDUDCTE-OAHLLOKOSA-N 2 2 268.449 0.695 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000070574394 348892777 /nfs/dbraw/zinc/89/27/77/348892777.db2.gz LBQYANFJOPMGEO-UTUOFQBUSA-N 2 2 250.346 0.905 20 0 CCADLP COC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069856709 348862904 /nfs/dbraw/zinc/86/29/04/348862904.db2.gz SFCKWGIAWCUBBA-ZDUSSCGKSA-N 2 2 270.373 0.594 20 0 CCADLP COC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069856709 348862910 /nfs/dbraw/zinc/86/29/10/348862910.db2.gz SFCKWGIAWCUBBA-ZDUSSCGKSA-N 2 2 270.373 0.594 20 0 CCADLP CN(C)c1[nH+]cc(CNCC[NH+]2CCCC2)n1C ZINC000070142777 348873733 /nfs/dbraw/zinc/87/37/33/348873733.db2.gz JJIFNYGFRUGXNO-UHFFFAOYSA-N 2 2 251.378 0.672 20 0 CCADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070174233 348876855 /nfs/dbraw/zinc/87/68/55/348876855.db2.gz XIPXEQUNGXVHHV-OLZOCXBDSA-N 2 2 298.431 0.030 20 0 CCADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070174233 348876859 /nfs/dbraw/zinc/87/68/59/348876859.db2.gz XIPXEQUNGXVHHV-OLZOCXBDSA-N 2 2 298.431 0.030 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NCCCOC)C1 ZINC000071147662 348905002 /nfs/dbraw/zinc/90/50/02/348905002.db2.gz GDTJXLFYXAZBBO-NWDGAFQWSA-N 2 2 257.378 0.069 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)C(=O)NCCCOC)C1 ZINC000071147662 348905004 /nfs/dbraw/zinc/90/50/04/348905004.db2.gz GDTJXLFYXAZBBO-NWDGAFQWSA-N 2 2 257.378 0.069 20 0 CCADLP O[C@@H](CN1CC[NH+](C2CCCC2)CC1)C[NH+]1CCOCC1 ZINC000075673033 349045566 /nfs/dbraw/zinc/04/55/66/349045566.db2.gz PRTTVESALPMYQD-INIZCTEOSA-N 2 2 297.443 0.240 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000076001473 349062441 /nfs/dbraw/zinc/06/24/41/349062441.db2.gz WWXGPILPKLVTIS-CHWSQXEVSA-N 2 2 253.390 0.881 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000076001473 349062443 /nfs/dbraw/zinc/06/24/43/349062443.db2.gz WWXGPILPKLVTIS-CHWSQXEVSA-N 2 2 253.390 0.881 20 0 CCADLP Cc1nc(NCCCC[NH+]2CCN(CCO)CC2)cc[nH+]1 ZINC000078260614 349131294 /nfs/dbraw/zinc/13/12/94/349131294.db2.gz VRZSIWFHQBMMTM-UHFFFAOYSA-N 2 2 293.415 0.587 20 0 CCADLP CC(C)[C@H](CNC(=O)N1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000339614902 215270348 /nfs/dbraw/zinc/27/03/48/215270348.db2.gz ZWYYDSARFQPPHF-AWEZNQCLSA-N 2 2 298.431 0.300 20 0 CCADLP C[N@@H+]1CCC[C@@H](NC(=O)NCCCn2cc[nH+]c2)C1 ZINC000080322453 349208419 /nfs/dbraw/zinc/20/84/19/349208419.db2.gz OQHAYKWHWULJCX-GFCCVEGCSA-N 2 2 265.361 0.667 20 0 CCADLP C[N@H+]1CCC[C@@H](NC(=O)NCCCn2cc[nH+]c2)C1 ZINC000080322453 349208423 /nfs/dbraw/zinc/20/84/23/349208423.db2.gz OQHAYKWHWULJCX-GFCCVEGCSA-N 2 2 265.361 0.667 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000339620042 215272729 /nfs/dbraw/zinc/27/27/29/215272729.db2.gz SDKXHTOMZIVCSQ-YIDVYQOGSA-N 2 2 299.459 0.481 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000339620042 215272730 /nfs/dbraw/zinc/27/27/30/215272730.db2.gz SDKXHTOMZIVCSQ-YIDVYQOGSA-N 2 2 299.459 0.481 20 0 CCADLP C[C@@H]1C[N@H+](CCN2C[C@@H](C)[NH+](C)[C@@H](C)C2)CCO1 ZINC000339627081 215275957 /nfs/dbraw/zinc/27/59/57/215275957.db2.gz DYPDDIOXBABFBO-HZSPNIEDSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2C[C@@H](C)[NH+](C)[C@@H](C)C2)CCO1 ZINC000339627081 215275959 /nfs/dbraw/zinc/27/59/59/215275959.db2.gz DYPDDIOXBABFBO-HZSPNIEDSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1C[NH+](CCN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)CCO1 ZINC000339627081 215275962 /nfs/dbraw/zinc/27/59/62/215275962.db2.gz DYPDDIOXBABFBO-HZSPNIEDSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1C[NH+](CCN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)CCO1 ZINC000339627081 215275963 /nfs/dbraw/zinc/27/59/63/215275963.db2.gz DYPDDIOXBABFBO-HZSPNIEDSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)CC[NH3+])CC1 ZINC000082256244 349292839 /nfs/dbraw/zinc/29/28/39/349292839.db2.gz ZBDUUFXUWOKAND-GFCCVEGCSA-N 2 2 262.357 0.636 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000684484408 545681744 /nfs/dbraw/zinc/68/17/44/545681744.db2.gz WSYOKQWLBRUEND-UHFFFAOYSA-N 2 2 294.399 0.268 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000684484408 545681748 /nfs/dbraw/zinc/68/17/48/545681748.db2.gz WSYOKQWLBRUEND-UHFFFAOYSA-N 2 2 294.399 0.268 20 0 CCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@H]1COCC[NH2+]1 ZINC000088371692 349364350 /nfs/dbraw/zinc/36/43/50/349364350.db2.gz BXPNAKQEXAONJI-ZDUSSCGKSA-N 2 2 288.351 0.449 20 0 CCADLP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)CN1CC[NH+](C)CC1 ZINC000120804986 350007153 /nfs/dbraw/zinc/00/71/53/350007153.db2.gz XOHLRBIKCBTZCM-OAGGEKHMSA-N 3 2 282.476 0.942 20 0 CCADLP CCOC(=O)CC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926591 349412580 /nfs/dbraw/zinc/41/25/80/349412580.db2.gz ZPUCWVHTMVWYON-UHFFFAOYSA-N 2 2 266.345 0.495 20 0 CCADLP CC(C)[N@H+](C)CCCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000339684677 215296846 /nfs/dbraw/zinc/29/68/46/215296846.db2.gz XZQSQKDYHQPRMD-CYBMUJFWSA-N 2 2 271.405 0.554 20 0 CCADLP CC(C)[N@@H+](C)CCCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000339684677 215296852 /nfs/dbraw/zinc/29/68/52/215296852.db2.gz XZQSQKDYHQPRMD-CYBMUJFWSA-N 2 2 271.405 0.554 20 0 CCADLP C[N@@H+]1CCN(C(=O)C2C(C)(C)C2(C)C)[C@H](C[NH3+])C1 ZINC000122582368 350066415 /nfs/dbraw/zinc/06/64/15/350066415.db2.gz JWYPBFZHYRZWKE-SNVBAGLBSA-N 2 2 253.390 0.770 20 0 CCADLP C[N@H+]1CCN(C(=O)C2C(C)(C)C2(C)C)[C@H](C[NH3+])C1 ZINC000122582368 350066417 /nfs/dbraw/zinc/06/64/17/350066417.db2.gz JWYPBFZHYRZWKE-SNVBAGLBSA-N 2 2 253.390 0.770 20 0 CCADLP CCNC(=O)N1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000124759874 350106446 /nfs/dbraw/zinc/10/64/46/350106446.db2.gz URBURSOLWHQBPL-ZDUSSCGKSA-N 2 2 268.405 0.818 20 0 CCADLP CCNC(=O)N1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000124759874 350106449 /nfs/dbraw/zinc/10/64/49/350106449.db2.gz URBURSOLWHQBPL-ZDUSSCGKSA-N 2 2 268.405 0.818 20 0 CCADLP C[C@H]1C[C@H]([NH+](C)CC(=O)NCC2CC2)CC[N@@H+]1C ZINC000123857262 350084641 /nfs/dbraw/zinc/08/46/41/350084641.db2.gz QOMAXTWKNYTTIK-WCQYABFASA-N 2 2 253.390 0.927 20 0 CCADLP C[C@H]1C[C@H]([NH+](C)CC(=O)NCC2CC2)CC[N@H+]1C ZINC000123857262 350084642 /nfs/dbraw/zinc/08/46/42/350084642.db2.gz QOMAXTWKNYTTIK-WCQYABFASA-N 2 2 253.390 0.927 20 0 CCADLP C[C@H]1C[C@H]([N@H+](C)CC(=O)NCC2CC2)CC[NH+]1C ZINC000123857262 350084644 /nfs/dbraw/zinc/08/46/44/350084644.db2.gz QOMAXTWKNYTTIK-WCQYABFASA-N 2 2 253.390 0.927 20 0 CCADLP C[C@H]1C[C@H]([N@@H+](C)CC(=O)NCC2CC2)CC[NH+]1C ZINC000123857262 350084646 /nfs/dbraw/zinc/08/46/46/350084646.db2.gz QOMAXTWKNYTTIK-WCQYABFASA-N 2 2 253.390 0.927 20 0 CCADLP C[N@@H+]1CCN(C(=O)COc2cccc(Cl)c2)[C@@H](C[NH3+])C1 ZINC000124304973 350094619 /nfs/dbraw/zinc/09/46/19/350094619.db2.gz VMRZEPHEKQKQHN-LBPRGKRZSA-N 2 2 297.786 0.820 20 0 CCADLP C[N@H+]1CCN(C(=O)COc2cccc(Cl)c2)[C@@H](C[NH3+])C1 ZINC000124304973 350094621 /nfs/dbraw/zinc/09/46/21/350094621.db2.gz VMRZEPHEKQKQHN-LBPRGKRZSA-N 2 2 297.786 0.820 20 0 CCADLP Cc1noc(CN2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000125138830 350115417 /nfs/dbraw/zinc/11/54/17/350115417.db2.gz KDHCEDINNQGYMK-AWEZNQCLSA-N 2 2 293.415 0.980 20 0 CCADLP Cc1noc(CN2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000125138830 350115420 /nfs/dbraw/zinc/11/54/20/350115420.db2.gz KDHCEDINNQGYMK-AWEZNQCLSA-N 2 2 293.415 0.980 20 0 CCADLP CC[NH+]1CCN(C(=O)c2csc(C[NH3+])n2)CC1 ZINC000090930096 180063640 /nfs/dbraw/zinc/06/36/40/180063640.db2.gz DEJILMJJKFYGTL-UHFFFAOYSA-N 2 2 254.359 0.380 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000128503660 350194026 /nfs/dbraw/zinc/19/40/26/350194026.db2.gz ICTTZWTVNGVENE-GFCCVEGCSA-N 2 2 286.420 0.918 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000128503660 350194030 /nfs/dbraw/zinc/19/40/30/350194030.db2.gz ICTTZWTVNGVENE-GFCCVEGCSA-N 2 2 286.420 0.918 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)n1C ZINC000128076985 350184764 /nfs/dbraw/zinc/18/47/64/350184764.db2.gz VOHLMNPBKSEKEL-WDEREUQCSA-N 2 2 252.362 0.735 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000136200227 350417656 /nfs/dbraw/zinc/41/76/56/350417656.db2.gz QOFCONKMEAMTIY-TZMCWYRMSA-N 2 2 269.389 0.356 20 0 CCADLP CCNC(=O)C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000154026957 350572569 /nfs/dbraw/zinc/57/25/69/350572569.db2.gz DXZANVYBJMEUNJ-HUUCEWRRSA-N 2 2 296.459 0.613 20 0 CCADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NC(=O)NC2CC2)CC[N@@H+]1C ZINC000123712271 297258273 /nfs/dbraw/zinc/25/82/73/297258273.db2.gz LOWACABYJMCIRL-PWSUYJOCSA-N 2 2 282.388 0.389 20 0 CCADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NC(=O)NC2CC2)CC[N@H+]1C ZINC000123712271 297258274 /nfs/dbraw/zinc/25/82/74/297258274.db2.gz LOWACABYJMCIRL-PWSUYJOCSA-N 2 2 282.388 0.389 20 0 CCADLP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)NC(=O)NC2CC2)CC[NH+]1C ZINC000123712271 297258275 /nfs/dbraw/zinc/25/82/75/297258275.db2.gz LOWACABYJMCIRL-PWSUYJOCSA-N 2 2 282.388 0.389 20 0 CCADLP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NC(=O)NC2CC2)CC[NH+]1C ZINC000123712271 297258276 /nfs/dbraw/zinc/25/82/76/297258276.db2.gz LOWACABYJMCIRL-PWSUYJOCSA-N 2 2 282.388 0.389 20 0 CCADLP Cn1ccc(N2CCC[C@H]([NH2+][C@@H]3CCCC[C@H]3[NH3+])C2=O)n1 ZINC000424302116 282714204 /nfs/dbraw/zinc/71/42/04/282714204.db2.gz YZBWZRWVDLJMGS-UPJWGTAASA-N 2 2 291.399 0.775 20 0 CCADLP Cc1cc(NC(=O)C[NH+]2CCC([C@@H](C)[NH3+])CC2)on1 ZINC000110649274 186309367 /nfs/dbraw/zinc/30/93/67/186309367.db2.gz SPLLUPVRQXNYLK-SNVBAGLBSA-N 2 2 266.345 0.981 20 0 CCADLP COC(=O)C1=NOC2(C1)CC[NH+](CCn1cc[nH+]c1)CC2 ZINC000161273299 350717577 /nfs/dbraw/zinc/71/75/77/350717577.db2.gz BMWVDNZCLGNPBM-UHFFFAOYSA-N 2 2 292.339 0.667 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCCC[NH2+]1)Cn1cc[nH+]c1 ZINC000165583302 350791923 /nfs/dbraw/zinc/79/19/23/350791923.db2.gz QNLJFTAIQHPXST-NEPJUHHUSA-N 2 2 250.346 0.778 20 0 CCADLP O=C([C@@H]1CSC[NH2+]1)N1CCC(n2cc[nH+]c2)CC1 ZINC000166573037 350799678 /nfs/dbraw/zinc/79/96/78/350799678.db2.gz SJFCODZUTMWFQC-NSHDSACASA-N 2 2 266.370 0.709 20 0 CCADLP C[NH+](C)CC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000171199754 350893420 /nfs/dbraw/zinc/89/34/20/350893420.db2.gz IFTIXEDVRRCZIR-OAHLLOKOSA-N 2 2 291.395 0.738 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173883110 351060057 /nfs/dbraw/zinc/06/00/57/351060057.db2.gz CNVCCDXKEMLXGP-ZDUSSCGKSA-N 2 2 296.415 0.640 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173883110 351060059 /nfs/dbraw/zinc/06/00/59/351060059.db2.gz CNVCCDXKEMLXGP-ZDUSSCGKSA-N 2 2 296.415 0.640 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173927828 351062057 /nfs/dbraw/zinc/06/20/57/351062057.db2.gz CZDRZSZPYFRKCT-CQSZACIVSA-N 2 2 289.383 0.929 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000178763855 351244809 /nfs/dbraw/zinc/24/48/09/351244809.db2.gz XEFBUBPZGUFRKZ-NWDGAFQWSA-N 2 2 271.405 0.587 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000178763855 351244813 /nfs/dbraw/zinc/24/48/13/351244813.db2.gz XEFBUBPZGUFRKZ-NWDGAFQWSA-N 2 2 271.405 0.587 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])C(C)(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000178861314 351249618 /nfs/dbraw/zinc/24/96/18/351249618.db2.gz HDTAVPOLTNRSDU-FRRDWIJNSA-N 2 2 283.416 0.539 20 0 CCADLP CC[C@@H]([NH2+]C1CC[NH+](CCOC(C)C)CC1)C(N)=O ZINC000177487894 351205837 /nfs/dbraw/zinc/20/58/37/351205837.db2.gz SQLUYVPIIBXILR-CYBMUJFWSA-N 2 2 271.405 0.729 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)CC[N@@H+]1C ZINC000180962609 351296000 /nfs/dbraw/zinc/29/60/00/351296000.db2.gz JYDXCTMZNLDKDE-YRGRVCCFSA-N 2 2 291.399 0.598 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)CC[N@H+]1C ZINC000180962609 351296003 /nfs/dbraw/zinc/29/60/03/351296003.db2.gz JYDXCTMZNLDKDE-YRGRVCCFSA-N 2 2 291.399 0.598 20 0 CCADLP CC[C@@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181025240 351299286 /nfs/dbraw/zinc/29/92/86/351299286.db2.gz DVTAOFPFXROBPS-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000339798679 215341841 /nfs/dbraw/zinc/34/18/41/215341841.db2.gz FBSXBBXVNLMVDC-STQMWFEESA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000339798679 215341844 /nfs/dbraw/zinc/34/18/44/215341844.db2.gz FBSXBBXVNLMVDC-STQMWFEESA-N 2 2 271.405 0.554 20 0 CCADLP CC(C)C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000179424199 351267320 /nfs/dbraw/zinc/26/73/20/351267320.db2.gz SRAHMUCTJKAJEZ-CYBMUJFWSA-N 2 2 269.389 0.165 20 0 CCADLP c1[nH]cc(CN2CC[NH+](CC3CCOCC3)CC2)[nH+]1 ZINC000179625883 351273233 /nfs/dbraw/zinc/27/32/33/351273233.db2.gz GPMMMNGDSOSXDG-UHFFFAOYSA-N 2 2 264.373 0.954 20 0 CCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Cc1c[nH+]cn1C ZINC000185706420 351454902 /nfs/dbraw/zinc/45/49/02/351454902.db2.gz NMELRTFUQSNLSG-ZDUSSCGKSA-N 2 2 264.373 0.761 20 0 CCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Cc1c[nH+]cn1C ZINC000185706420 351454906 /nfs/dbraw/zinc/45/49/06/351454906.db2.gz NMELRTFUQSNLSG-ZDUSSCGKSA-N 2 2 264.373 0.761 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(C)(CO)CC2)CC1 ZINC000186904940 351520647 /nfs/dbraw/zinc/52/06/47/351520647.db2.gz WVYPZUFQUPZPLJ-AWEZNQCLSA-N 2 2 297.443 0.633 20 0 CCADLP CC(C)[C@@H](CNC(=O)c1c[nH+]ccc1N)[NH+]1CCOCC1 ZINC000188053129 351570446 /nfs/dbraw/zinc/57/04/46/351570446.db2.gz PJIFLHJTRCIASD-CQSZACIVSA-N 2 2 292.383 0.750 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)c2c[nH+]ccc2N)C[C@H]1C ZINC000188187730 351578577 /nfs/dbraw/zinc/57/85/77/351578577.db2.gz JNKZLPHXKJIJMM-LLVKDONJSA-N 2 2 278.356 0.457 20 0 CCADLP COCC[N@H+]1CCN(C(=O)c2c[nH+]ccc2N)C[C@H]1C ZINC000188187730 351578582 /nfs/dbraw/zinc/57/85/82/351578582.db2.gz JNKZLPHXKJIJMM-LLVKDONJSA-N 2 2 278.356 0.457 20 0 CCADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000187912036 351562393 /nfs/dbraw/zinc/56/23/93/351562393.db2.gz AJXPMTOWCHXZNT-NWDGAFQWSA-N 2 2 278.356 0.377 20 0 CCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C1 ZINC000188710224 351621155 /nfs/dbraw/zinc/62/11/55/351621155.db2.gz KODJZZASVHDVAO-LLVKDONJSA-N 2 2 291.399 0.612 20 0 CCADLP CN(C)c1noc(C[N@H+](C)CCCn2cc[nH+]c2)n1 ZINC000189588308 351691032 /nfs/dbraw/zinc/69/10/32/351691032.db2.gz ZXMYJMODRDXVJI-UHFFFAOYSA-N 2 2 264.333 0.854 20 0 CCADLP CN(C)c1noc(C[N@@H+](C)CCCn2cc[nH+]c2)n1 ZINC000189588308 351691035 /nfs/dbraw/zinc/69/10/35/351691035.db2.gz ZXMYJMODRDXVJI-UHFFFAOYSA-N 2 2 264.333 0.854 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCN1CC[NH+](CC2CC2)CC1 ZINC000191455387 351759165 /nfs/dbraw/zinc/75/91/65/351759165.db2.gz BMCOYFFPNWLWFZ-CQSZACIVSA-N 2 2 267.417 0.735 20 0 CCADLP C[C@H]([NH3+])CCC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000193296126 351821433 /nfs/dbraw/zinc/82/14/33/351821433.db2.gz ORHMSCAMZQJKMK-LBPRGKRZSA-N 2 2 292.383 0.662 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000194951481 351891631 /nfs/dbraw/zinc/89/16/31/351891631.db2.gz IJIBKLXKKXQYDL-NSHDSACASA-N 2 2 251.330 0.593 20 0 CCADLP O=C(Cc1cn2ccccc2[nH+]1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195213498 351903734 /nfs/dbraw/zinc/90/37/34/351903734.db2.gz NUJXYNQKTIJFCT-TXEJJXNPSA-N 2 2 270.336 0.555 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000225324216 352000863 /nfs/dbraw/zinc/00/08/63/352000863.db2.gz LEUMXDQTUIOICM-HNNXBMFYSA-N 2 2 291.395 0.809 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCN2CCSCC2)n1C ZINC000230931616 352122667 /nfs/dbraw/zinc/12/26/67/352122667.db2.gz SZHKIYFCGIVUGM-UHFFFAOYSA-N 2 2 283.445 0.625 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000228917163 352086138 /nfs/dbraw/zinc/08/61/38/352086138.db2.gz UPGBBSYPTLOSCT-ITDIGPHOSA-N 2 2 292.383 0.569 20 0 CCADLP COC[C@@H](CO)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000234863483 352175884 /nfs/dbraw/zinc/17/58/84/352175884.db2.gz SJSGGWJRSXJBFN-CYBMUJFWSA-N 2 2 265.357 0.647 20 0 CCADLP C[C@H](CCCC[NH3+])NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000417041577 233912916 /nfs/dbraw/zinc/91/29/16/233912916.db2.gz WKAJXFQGRZBXCW-CHWSQXEVSA-N 2 2 286.420 0.524 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000236785347 352213605 /nfs/dbraw/zinc/21/36/05/352213605.db2.gz MYFSTNDDYFPKPR-WOPDTQHZSA-N 2 2 257.378 0.195 20 0 CCADLP C[NH2+]CC1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000655413994 412562388 /nfs/dbraw/zinc/56/23/88/412562388.db2.gz CJLDZPLBKSNOID-CYBMUJFWSA-N 2 2 276.384 0.904 20 0 CCADLP COc1ccc([C@H](NC(=O)CC[NH3+])c2[nH+]ccn2C)cc1 ZINC000237268034 352256676 /nfs/dbraw/zinc/25/66/76/352256676.db2.gz DBJWLDQWOWMAPO-AWEZNQCLSA-N 2 2 288.351 0.983 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CC12CC[NH2+]CC2)[NH+]1CCOCC1 ZINC000237461862 352265629 /nfs/dbraw/zinc/26/56/29/352265629.db2.gz SYELBJMYKXVWMS-CHWSQXEVSA-N 2 2 281.400 0.213 20 0 CCADLP C[C@@H]([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000237527226 352269968 /nfs/dbraw/zinc/26/99/68/352269968.db2.gz VDQVECKCURISNT-IJLUTSLNSA-N 2 2 292.383 0.659 20 0 CCADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000237606751 352274773 /nfs/dbraw/zinc/27/47/73/352274773.db2.gz CBZQCSZPYNKEEQ-CQSZACIVSA-N 2 2 292.383 0.688 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000237158004 352247965 /nfs/dbraw/zinc/24/79/65/352247965.db2.gz GDFYJGVBLQAUQM-ZIAGYGMSSA-N 2 2 283.416 0.555 20 0 CCADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC000245434591 352323071 /nfs/dbraw/zinc/32/30/71/352323071.db2.gz CJTUKXJMOKMTNL-VXGBXAGGSA-N 2 2 296.415 0.637 20 0 CCADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC000245434591 352323075 /nfs/dbraw/zinc/32/30/75/352323075.db2.gz CJTUKXJMOKMTNL-VXGBXAGGSA-N 2 2 296.415 0.637 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC000245434591 352323077 /nfs/dbraw/zinc/32/30/77/352323077.db2.gz CJTUKXJMOKMTNL-VXGBXAGGSA-N 2 2 296.415 0.637 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC000245434591 352323081 /nfs/dbraw/zinc/32/30/81/352323081.db2.gz CJTUKXJMOKMTNL-VXGBXAGGSA-N 2 2 296.415 0.637 20 0 CCADLP CCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246592239 352374400 /nfs/dbraw/zinc/37/44/00/352374400.db2.gz JKOLORAMIUYZHM-CABCVRRESA-N 2 2 297.443 0.945 20 0 CCADLP CCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246592239 352374402 /nfs/dbraw/zinc/37/44/02/352374402.db2.gz JKOLORAMIUYZHM-CABCVRRESA-N 2 2 297.443 0.945 20 0 CCADLP Cc1cc[nH+]cc1N1CCN(C(=O)NCC[NH3+])CC1 ZINC000418297713 234059713 /nfs/dbraw/zinc/05/97/13/234059713.db2.gz KVZVANINPGXENP-UHFFFAOYSA-N 2 2 263.345 0.180 20 0 CCADLP C[N@@H+](CC(=O)NC[C@H]1CCCO1)C[C@@H]1CCC[NH+](C)C1 ZINC000247155078 352401765 /nfs/dbraw/zinc/40/17/65/352401765.db2.gz XSAWBRACZDYRMC-ZIAGYGMSSA-N 2 2 283.416 0.555 20 0 CCADLP C[N@H+](CC(=O)NC[C@H]1CCCO1)C[C@@H]1CCC[NH+](C)C1 ZINC000247155078 352401768 /nfs/dbraw/zinc/40/17/68/352401768.db2.gz XSAWBRACZDYRMC-ZIAGYGMSSA-N 2 2 283.416 0.555 20 0 CCADLP C[NH+](CC(=O)NC[C@H]1CCCO1)C[C@@H]1CCC[N@H+](C)C1 ZINC000247155078 352401770 /nfs/dbraw/zinc/40/17/70/352401770.db2.gz XSAWBRACZDYRMC-ZIAGYGMSSA-N 2 2 283.416 0.555 20 0 CCADLP C[NH+](CC(=O)NC[C@H]1CCCO1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000247155078 352401773 /nfs/dbraw/zinc/40/17/73/352401773.db2.gz XSAWBRACZDYRMC-ZIAGYGMSSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000249040738 352474233 /nfs/dbraw/zinc/47/42/33/352474233.db2.gz MWGVVTBGPUBZTR-HUUCEWRRSA-N 2 2 267.417 0.877 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000249040738 352474235 /nfs/dbraw/zinc/47/42/35/352474235.db2.gz MWGVVTBGPUBZTR-HUUCEWRRSA-N 2 2 267.417 0.877 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000249886727 352502716 /nfs/dbraw/zinc/50/27/16/352502716.db2.gz QJPGWBAEEVAFBI-MNOVXSKESA-N 2 2 270.377 0.424 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000249886727 352502719 /nfs/dbraw/zinc/50/27/19/352502719.db2.gz QJPGWBAEEVAFBI-MNOVXSKESA-N 2 2 270.377 0.424 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000253152053 352528977 /nfs/dbraw/zinc/52/89/77/352528977.db2.gz INAZGOZRWBHDJE-JHJVBQTASA-N 2 2 269.389 0.211 20 0 CCADLP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261583151 352561825 /nfs/dbraw/zinc/56/18/25/352561825.db2.gz RPSZQTFKLMUZTC-UTUOFQBUSA-N 2 2 253.390 0.831 20 0 CCADLP C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261583151 352561828 /nfs/dbraw/zinc/56/18/28/352561828.db2.gz RPSZQTFKLMUZTC-UTUOFQBUSA-N 2 2 253.390 0.831 20 0 CCADLP CS(=O)(=O)[C@@H]1CCCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261632719 352562556 /nfs/dbraw/zinc/56/25/56/352562556.db2.gz CSBGXKHHOHSGFW-QWHCGFSZSA-N 2 2 274.430 0.885 20 0 CCADLP CS(=O)(=O)[C@@H]1CCCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261632719 352562558 /nfs/dbraw/zinc/56/25/58/352562558.db2.gz CSBGXKHHOHSGFW-QWHCGFSZSA-N 2 2 274.430 0.885 20 0 CCADLP CCC[C@@]1(C)C(=O)NCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261658790 352563083 /nfs/dbraw/zinc/56/30/83/352563083.db2.gz BLXAEYYWQPXJAN-OCCSQVGLSA-N 2 2 253.390 0.977 20 0 CCADLP CCC[C@@]1(C)C(=O)NCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261658790 352563086 /nfs/dbraw/zinc/56/30/86/352563086.db2.gz BLXAEYYWQPXJAN-OCCSQVGLSA-N 2 2 253.390 0.977 20 0 CCADLP COC(=O)C(C)(C)N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261965450 352568453 /nfs/dbraw/zinc/56/84/53/352568453.db2.gz PSUVSDBRTBZRIT-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP O=C(CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1)N1CC[NH2+]CC1 ZINC000262021065 352569404 /nfs/dbraw/zinc/56/94/04/352569404.db2.gz GDFJPWFQNHFHGX-UHFFFAOYSA-N 3 2 291.399 0.411 20 0 CCADLP CCC[N@H+](CCC(=O)N1CC[NH2+]CC1)CC(F)F ZINC000262126231 352580932 /nfs/dbraw/zinc/58/09/32/352580932.db2.gz NRBNBBRSZLAKKB-UHFFFAOYSA-N 2 2 263.332 0.785 20 0 CCADLP CCC[N@@H+](CCC(=O)N1CC[NH2+]CC1)CC(F)F ZINC000262126231 352580935 /nfs/dbraw/zinc/58/09/35/352580935.db2.gz NRBNBBRSZLAKKB-UHFFFAOYSA-N 2 2 263.332 0.785 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000266782641 352720144 /nfs/dbraw/zinc/72/01/44/352720144.db2.gz GYMOMNYWTLDAGW-LBPRGKRZSA-N 2 2 275.356 0.576 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+]([C@H](C(N)=O)c2ccccc2)CC1 ZINC000266933229 352733409 /nfs/dbraw/zinc/73/34/09/352733409.db2.gz PFLITTCLXRJKCE-AWEZNQCLSA-N 2 2 299.378 0.769 20 0 CCADLP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)NCc3cccnc3)C2)C1 ZINC000292138382 198178080 /nfs/dbraw/zinc/17/80/80/198178080.db2.gz MFOJHFJKCIQQCA-INIZCTEOSA-N 2 2 288.395 0.725 20 0 CCADLP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)NCc3cccnc3)C2)C1 ZINC000292138382 198178081 /nfs/dbraw/zinc/17/80/81/198178081.db2.gz MFOJHFJKCIQQCA-INIZCTEOSA-N 2 2 288.395 0.725 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)NCc3cccnc3)C2)C1 ZINC000292138382 198178083 /nfs/dbraw/zinc/17/80/83/198178083.db2.gz MFOJHFJKCIQQCA-INIZCTEOSA-N 2 2 288.395 0.725 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)NCc3cccnc3)C2)C1 ZINC000292138382 198178085 /nfs/dbraw/zinc/17/80/85/198178085.db2.gz MFOJHFJKCIQQCA-INIZCTEOSA-N 2 2 288.395 0.725 20 0 CCADLP O[C@@H](Cn1cccn1)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267467548 352769358 /nfs/dbraw/zinc/76/93/58/352769358.db2.gz WTORQBNVRQTKRX-CHWSQXEVSA-N 2 2 275.356 0.847 20 0 CCADLP O[C@@H](Cn1cccn1)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267467548 352769362 /nfs/dbraw/zinc/76/93/62/352769362.db2.gz WTORQBNVRQTKRX-CHWSQXEVSA-N 2 2 275.356 0.847 20 0 CCADLP CN(C[C@H](O)C[NH+]1CCOCC1)c1cccc[nH+]1 ZINC000267533408 352773240 /nfs/dbraw/zinc/77/32/40/352773240.db2.gz LPUCZDGENJTGLT-LBPRGKRZSA-N 2 2 251.330 0.211 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)NC[C@@H]1CCCO1 ZINC000269618589 352853730 /nfs/dbraw/zinc/85/37/30/352853730.db2.gz HMBLVKAXILMZON-OLZOCXBDSA-N 2 2 292.383 0.884 20 0 CCADLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)NC[C@@H]1CCCO1 ZINC000269618589 352853735 /nfs/dbraw/zinc/85/37/35/352853735.db2.gz HMBLVKAXILMZON-OLZOCXBDSA-N 2 2 292.383 0.884 20 0 CCADLP COC(=O)[C@]1(F)CC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000270904567 353001846 /nfs/dbraw/zinc/00/18/46/353001846.db2.gz RUFMUFVIKGQIRR-LBPRGKRZSA-N 2 2 255.293 0.779 20 0 CCADLP COC(=O)[C@]1(F)CC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000270904567 353001849 /nfs/dbraw/zinc/00/18/49/353001849.db2.gz RUFMUFVIKGQIRR-LBPRGKRZSA-N 2 2 255.293 0.779 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000269232144 535206555 /nfs/dbraw/zinc/20/65/55/535206555.db2.gz IWMFCZPPEWELQS-CQSZACIVSA-N 2 2 292.383 0.518 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](CCOCC2CCC2)CC1 ZINC000419184477 234326426 /nfs/dbraw/zinc/32/64/26/234326426.db2.gz JSEYUSPDYYMQGR-UHFFFAOYSA-N 2 2 283.416 0.509 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655447137 412576143 /nfs/dbraw/zinc/57/61/43/412576143.db2.gz SBGTWBMOQVCTPJ-BBRMVZONSA-N 2 2 295.427 0.603 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655447137 412576148 /nfs/dbraw/zinc/57/61/48/412576148.db2.gz SBGTWBMOQVCTPJ-BBRMVZONSA-N 2 2 295.427 0.603 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000280231696 353348468 /nfs/dbraw/zinc/34/84/68/353348468.db2.gz JTRKFCYWUXVTBL-ZDUSSCGKSA-N 2 2 264.373 0.905 20 0 CCADLP C1=CC[N@H+](CCNc2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000280273534 353352629 /nfs/dbraw/zinc/35/26/29/353352629.db2.gz PAQUANIQIDHADG-UHFFFAOYSA-N 2 2 289.383 0.987 20 0 CCADLP C1=CC[N@@H+](CCNc2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000280273534 353352631 /nfs/dbraw/zinc/35/26/31/353352631.db2.gz PAQUANIQIDHADG-UHFFFAOYSA-N 2 2 289.383 0.987 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655452881 412577986 /nfs/dbraw/zinc/57/79/86/412577986.db2.gz CEPHLYCKSZPBKF-GRYCIOLGSA-N 2 2 262.357 0.560 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)NCC[N@@H+]1CCCOCC1 ZINC000282989148 353471220 /nfs/dbraw/zinc/47/12/20/353471220.db2.gz FYRISULGDFSAEB-NSCUHMNNSA-N 2 2 264.329 0.261 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)NCC[N@H+]1CCCOCC1 ZINC000282989148 353471224 /nfs/dbraw/zinc/47/12/24/353471224.db2.gz FYRISULGDFSAEB-NSCUHMNNSA-N 2 2 264.329 0.261 20 0 CCADLP C[NH+](C)CCN1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000283402457 353506199 /nfs/dbraw/zinc/50/61/99/353506199.db2.gz HHXJJQZFTOQATN-ONEGZZNKSA-N 2 2 277.372 0.129 20 0 CCADLP C[NH2+]CCC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000286024709 353562425 /nfs/dbraw/zinc/56/24/25/353562425.db2.gz JYJCPTBQZYVBRF-CYBMUJFWSA-N 2 2 276.384 0.896 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[NH2+]1 ZINC000655458487 412581094 /nfs/dbraw/zinc/58/10/94/412581094.db2.gz QCFWOHSONRLPEA-IJLUTSLNSA-N 2 2 262.357 0.702 20 0 CCADLP CCN(CC)c1ccc(CNC(=O)[C@@H](C[NH3+])OC)c[nH+]1 ZINC000289951482 353696539 /nfs/dbraw/zinc/69/65/39/353696539.db2.gz MEULAUGSPBTAGE-GFCCVEGCSA-N 2 2 280.372 0.518 20 0 CCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000290110984 353709230 /nfs/dbraw/zinc/70/92/30/353709230.db2.gz SSZGEDQKPKAMMT-LBPRGKRZSA-N 2 2 250.346 0.515 20 0 CCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCc1c[nH+]cn1C ZINC000290110984 353709232 /nfs/dbraw/zinc/70/92/32/353709232.db2.gz SSZGEDQKPKAMMT-LBPRGKRZSA-N 2 2 250.346 0.515 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000290160917 353711898 /nfs/dbraw/zinc/71/18/98/353711898.db2.gz XLEMTBTZUZKKCD-UHFFFAOYSA-N 3 2 274.372 0.518 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cn(C)cn3)C2)CC1 ZINC000618904125 366115894 /nfs/dbraw/zinc/11/58/94/366115894.db2.gz PDAQATQDKLJSAU-HNNXBMFYSA-N 2 2 277.416 0.632 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cn(C)cn3)C2)CC1 ZINC000618904125 366115902 /nfs/dbraw/zinc/11/59/02/366115902.db2.gz PDAQATQDKLJSAU-HNNXBMFYSA-N 2 2 277.416 0.632 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655467028 412583319 /nfs/dbraw/zinc/58/33/19/412583319.db2.gz CKJFUVABLJHPBG-RISCZKNCSA-N 2 2 262.357 0.768 20 0 CCADLP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000296503100 353949261 /nfs/dbraw/zinc/94/92/61/353949261.db2.gz RALQZNOIUWGJNM-CYBMUJFWSA-N 2 2 288.395 0.866 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)NCCNc1cccc[nH+]1 ZINC000296515278 353950420 /nfs/dbraw/zinc/95/04/20/353950420.db2.gz RSFXCNOJNNOQAI-LLVKDONJSA-N 2 2 250.346 0.998 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)N1CC[NH+](C)CC1 ZINC000298967512 353980937 /nfs/dbraw/zinc/98/09/37/353980937.db2.gz NUIADBPMGURVIE-UHFFFAOYSA-N 2 2 265.361 0.539 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000299647595 354035877 /nfs/dbraw/zinc/03/58/77/354035877.db2.gz WRMWYJRJVOLNOS-UHFFFAOYSA-N 2 2 250.346 0.826 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000300298537 354064060 /nfs/dbraw/zinc/06/40/60/354064060.db2.gz MPDORLLMDFODOQ-HZPDHXFCSA-N 2 2 287.407 0.893 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2CCc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000300298537 354064064 /nfs/dbraw/zinc/06/40/64/354064064.db2.gz MPDORLLMDFODOQ-HZPDHXFCSA-N 2 2 287.407 0.893 20 0 CCADLP C[C@H](NC(=O)NC[C@H]1C[N@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000606676479 363304302 /nfs/dbraw/zinc/30/43/02/363304302.db2.gz CWLWMDPHTKYHMV-JSGCOSHPSA-N 2 2 298.431 0.347 20 0 CCADLP C[C@H](NC(=O)NC[C@H]1C[N@@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000606676479 363304305 /nfs/dbraw/zinc/30/43/05/363304305.db2.gz CWLWMDPHTKYHMV-JSGCOSHPSA-N 2 2 298.431 0.347 20 0 CCADLP C[C@@H](C(=O)NC1CCCCC1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000310924283 354193546 /nfs/dbraw/zinc/19/35/46/354193546.db2.gz GLPZXRXZLKTAPD-JQWIXIFHSA-N 2 2 257.378 0.075 20 0 CCADLP C[C@@H](C(=O)NC1CCCCC1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000310924283 354193551 /nfs/dbraw/zinc/19/35/51/354193551.db2.gz GLPZXRXZLKTAPD-JQWIXIFHSA-N 2 2 257.378 0.075 20 0 CCADLP CC[C@H]1C[N@H+](C[C@H](O)C[NH+](C)CCOC)CCCO1 ZINC000311647178 354202393 /nfs/dbraw/zinc/20/23/93/354202393.db2.gz CJGCENIADURYEZ-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP CC[C@H]1C[N@@H+](C[C@H](O)C[NH+](C)CCOC)CCCO1 ZINC000311647178 354202396 /nfs/dbraw/zinc/20/23/96/354202396.db2.gz CJGCENIADURYEZ-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP CC[C@H]1C[NH+](C[C@H](O)C[N@H+](C)CCOC)CCCO1 ZINC000311647178 354202400 /nfs/dbraw/zinc/20/24/00/354202400.db2.gz CJGCENIADURYEZ-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP CC[C@H]1C[NH+](C[C@H](O)C[N@@H+](C)CCOC)CCCO1 ZINC000311647178 354202402 /nfs/dbraw/zinc/20/24/02/354202402.db2.gz CJGCENIADURYEZ-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP CC(C)[C@@H](C)CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000557167162 291023767 /nfs/dbraw/zinc/02/37/67/291023767.db2.gz JTGDACQHWFIRRT-RYUDHWBXSA-N 2 2 256.394 0.563 20 0 CCADLP CC(C)[C@@H](C)CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000557167162 291023768 /nfs/dbraw/zinc/02/37/68/291023768.db2.gz JTGDACQHWFIRRT-RYUDHWBXSA-N 2 2 256.394 0.563 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655483962 412587995 /nfs/dbraw/zinc/58/79/95/412587995.db2.gz OLPVOVRMQQHKIJ-DCAQKATOSA-N 2 2 250.346 0.688 20 0 CCADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)NC(=O)NC1CCCC1 ZINC000314264141 354222874 /nfs/dbraw/zinc/22/28/74/354222874.db2.gz SWDDIHGWPNFMEA-RYUDHWBXSA-N 2 2 294.399 0.296 20 0 CCADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)NC(=O)NC1CCCC1 ZINC000314264141 354222877 /nfs/dbraw/zinc/22/28/77/354222877.db2.gz SWDDIHGWPNFMEA-RYUDHWBXSA-N 2 2 294.399 0.296 20 0 CCADLP C[C@H](O)C[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000607754927 363365545 /nfs/dbraw/zinc/36/55/45/363365545.db2.gz RGYOPEWIFOTCFL-DZGCQCFKSA-N 2 2 266.385 0.792 20 0 CCADLP C[C@H](O)C[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000607754927 363365553 /nfs/dbraw/zinc/36/55/53/363365553.db2.gz RGYOPEWIFOTCFL-DZGCQCFKSA-N 2 2 266.385 0.792 20 0 CCADLP C[C@H](O)C[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000607754927 363365558 /nfs/dbraw/zinc/36/55/58/363365558.db2.gz RGYOPEWIFOTCFL-DZGCQCFKSA-N 2 2 266.385 0.792 20 0 CCADLP C[C@H](O)C[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000607754927 363365563 /nfs/dbraw/zinc/36/55/63/363365563.db2.gz RGYOPEWIFOTCFL-DZGCQCFKSA-N 2 2 266.385 0.792 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000329874295 354267912 /nfs/dbraw/zinc/26/79/12/354267912.db2.gz CSMCYKSOJORZRR-ZIAGYGMSSA-N 2 2 291.351 0.392 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000329874295 354267913 /nfs/dbraw/zinc/26/79/13/354267913.db2.gz CSMCYKSOJORZRR-ZIAGYGMSSA-N 2 2 291.351 0.392 20 0 CCADLP Cc1cccn2c(NC(=O)CN3CC[NH+](C)CC3)c[nH+]c12 ZINC000619012948 366154715 /nfs/dbraw/zinc/15/47/15/366154715.db2.gz KDCGLACELBKFQU-UHFFFAOYSA-N 2 2 287.367 0.829 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000330404052 354346130 /nfs/dbraw/zinc/34/61/30/354346130.db2.gz CTZSNWWVGDPBLL-OLZOCXBDSA-N 2 2 279.388 0.024 20 0 CCADLP O=C(CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)Nc1cccnc1 ZINC000557330049 291030695 /nfs/dbraw/zinc/03/06/95/291030695.db2.gz MTQKQRBZJJWLGG-YPMHNXCESA-N 2 2 260.341 0.704 20 0 CCADLP O=C(CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21)Nc1cccnc1 ZINC000557330049 291030698 /nfs/dbraw/zinc/03/06/98/291030698.db2.gz MTQKQRBZJJWLGG-YPMHNXCESA-N 2 2 260.341 0.704 20 0 CCADLP C[N@H+](CC(N)=O)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000330590903 354425678 /nfs/dbraw/zinc/42/56/78/354425678.db2.gz YWKVRJPWSKELCG-UHFFFAOYSA-N 2 2 278.360 0.195 20 0 CCADLP C[N@@H+](CC(N)=O)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000330590903 354425679 /nfs/dbraw/zinc/42/56/79/354425679.db2.gz YWKVRJPWSKELCG-UHFFFAOYSA-N 2 2 278.360 0.195 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000336383554 213239304 /nfs/dbraw/zinc/23/93/04/213239304.db2.gz JQHNTBLFJMZLDJ-BXUZGUMPSA-N 2 2 265.401 0.927 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000336383554 213239306 /nfs/dbraw/zinc/23/93/06/213239306.db2.gz JQHNTBLFJMZLDJ-BXUZGUMPSA-N 2 2 265.401 0.927 20 0 CCADLP CNC(=O)[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C(C)C ZINC000331245758 354503592 /nfs/dbraw/zinc/50/35/92/354503592.db2.gz SEZZMAGZZZZHAP-LLVKDONJSA-N 2 2 267.377 0.346 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000287261008 295885749 /nfs/dbraw/zinc/88/57/49/295885749.db2.gz RUBCHKSQHZHXOP-JQWIXIFHSA-N 2 2 267.377 0.089 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000333651699 354770505 /nfs/dbraw/zinc/77/05/05/354770505.db2.gz VWTMONIGPDPHGE-UONOGXRCSA-N 2 2 298.431 0.524 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000333651699 354770507 /nfs/dbraw/zinc/77/05/07/354770507.db2.gz VWTMONIGPDPHGE-UONOGXRCSA-N 2 2 298.431 0.524 20 0 CCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000333667179 354773525 /nfs/dbraw/zinc/77/35/25/354773525.db2.gz MLXIACPGLFGPSW-NSHDSACASA-N 2 2 297.403 0.379 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000333670391 354773704 /nfs/dbraw/zinc/77/37/04/354773704.db2.gz MYJCTKXZFWBVEG-MQYQWHSLSA-N 2 2 296.415 0.147 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000333670391 354773706 /nfs/dbraw/zinc/77/37/06/354773706.db2.gz MYJCTKXZFWBVEG-MQYQWHSLSA-N 2 2 296.415 0.147 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000333703160 354779437 /nfs/dbraw/zinc/77/94/37/354779437.db2.gz DQFRMPYMEUZXJS-UKRRQHHQSA-N 2 2 298.431 0.396 20 0 CCADLP C[NH+](C)C[C@H]1CCN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000332869484 354737278 /nfs/dbraw/zinc/73/72/78/354737278.db2.gz LLRPPUXSLFRAAE-NEPJUHHUSA-N 2 2 291.399 0.860 20 0 CCADLP C[NH+](C)C[C@H]1CCN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000332869484 354737282 /nfs/dbraw/zinc/73/72/82/354737282.db2.gz LLRPPUXSLFRAAE-NEPJUHHUSA-N 2 2 291.399 0.860 20 0 CCADLP CN(C)c1ccc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c[nH+]1 ZINC000333940305 354817827 /nfs/dbraw/zinc/81/78/27/354817827.db2.gz NYCNANUBTXYDIC-OLZOCXBDSA-N 2 2 289.383 0.651 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000608008138 363389568 /nfs/dbraw/zinc/38/95/68/363389568.db2.gz MMSZJFRXZRPWOT-UHFFFAOYSA-N 2 2 271.324 0.627 20 0 CCADLP CCC[N@H+](C)CC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413963393 283056381 /nfs/dbraw/zinc/05/63/81/283056381.db2.gz COGFPSIAFTWFMW-UHFFFAOYSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413963393 283056383 /nfs/dbraw/zinc/05/63/83/283056383.db2.gz COGFPSIAFTWFMW-UHFFFAOYSA-N 2 2 271.405 0.555 20 0 CCADLP O=C([C@H]1CC[NH2+]1)N1CC[NH+](Cc2cccs2)CC1 ZINC000334577952 354900557 /nfs/dbraw/zinc/90/05/57/354900557.db2.gz OIVVCATXLITCMV-GFCCVEGCSA-N 2 2 265.382 0.754 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@]3(CCSC3)C2)CC1 ZINC000334626309 354913598 /nfs/dbraw/zinc/91/35/98/354913598.db2.gz HOHLKIOIZJXUIL-OAHLLOKOSA-N 2 2 297.468 0.980 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@]3(CCSC3)C2)CC1 ZINC000334626309 354913601 /nfs/dbraw/zinc/91/36/01/354913601.db2.gz HOHLKIOIZJXUIL-OAHLLOKOSA-N 2 2 297.468 0.980 20 0 CCADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423587847 235012701 /nfs/dbraw/zinc/01/27/01/235012701.db2.gz AKKKQTWHEQUWIP-GUTXKFCHSA-N 2 2 293.411 0.308 20 0 CCADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423587847 235012707 /nfs/dbraw/zinc/01/27/07/235012707.db2.gz AKKKQTWHEQUWIP-GUTXKFCHSA-N 2 2 293.411 0.308 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000423707079 235040415 /nfs/dbraw/zinc/04/04/15/235040415.db2.gz CUWZGDALGIQXKY-AWEZNQCLSA-N 2 2 295.358 0.444 20 0 CCADLP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000423748171 235053833 /nfs/dbraw/zinc/05/38/33/235053833.db2.gz ANSSHSXQKJXHBE-LZWOXQAQSA-N 2 2 295.427 0.873 20 0 CCADLP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000423748171 235053840 /nfs/dbraw/zinc/05/38/40/235053840.db2.gz ANSSHSXQKJXHBE-LZWOXQAQSA-N 2 2 295.427 0.873 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@H]2CCCC[NH2+]2)C[C@H](C)O1 ZINC000423766063 235066537 /nfs/dbraw/zinc/06/65/37/235066537.db2.gz VHBNCKDPAJFUOM-MJBXVCDLSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@H]2CCCC[NH2+]2)C[C@H](C)O1 ZINC000423766063 235066541 /nfs/dbraw/zinc/06/65/41/235066541.db2.gz VHBNCKDPAJFUOM-MJBXVCDLSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@H]2CCCC[NH2+]2)C[C@H](C)O1 ZINC000423766060 235067301 /nfs/dbraw/zinc/06/73/01/235067301.db2.gz VHBNCKDPAJFUOM-HZSPNIEDSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@H]2CCCC[NH2+]2)C[C@H](C)O1 ZINC000423766060 235067303 /nfs/dbraw/zinc/06/73/03/235067303.db2.gz VHBNCKDPAJFUOM-HZSPNIEDSA-N 2 2 283.416 0.696 20 0 CCADLP CCC[NH+]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000335936424 355052038 /nfs/dbraw/zinc/05/20/38/355052038.db2.gz SLUUNYXPBWHSBF-ZDUSSCGKSA-N 2 2 276.384 1.000 20 0 CCADLP CCSCC[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000336786192 355159665 /nfs/dbraw/zinc/15/96/65/355159665.db2.gz BGXSQDZLWCEWNR-UHFFFAOYSA-N 2 2 273.446 0.882 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH+]2CCC([N@H+](C)CCO)CC2)O1 ZINC000336783685 355156336 /nfs/dbraw/zinc/15/63/36/355156336.db2.gz FFBYELDDQBQTHF-OCCSQVGLSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH+]2CCC([N@@H+](C)CCO)CC2)O1 ZINC000336783685 355156340 /nfs/dbraw/zinc/15/63/40/355156340.db2.gz FFBYELDDQBQTHF-OCCSQVGLSA-N 2 2 256.390 0.942 20 0 CCADLP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000424163798 235166076 /nfs/dbraw/zinc/16/60/76/235166076.db2.gz YEOGSHQDNPQRAU-FRRDWIJNSA-N 2 2 267.373 0.047 20 0 CCADLP Cc1cc[nH+]c(N2CC[NH+](CCN3CCNC3=O)CC2)c1 ZINC000336847491 355216094 /nfs/dbraw/zinc/21/60/94/355216094.db2.gz FFQCSDIWQZXKGP-UHFFFAOYSA-N 2 2 289.383 0.537 20 0 CCADLP Cn1cc[nH+]c1CC1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000424180199 235170492 /nfs/dbraw/zinc/17/04/92/235170492.db2.gz NFGVTVRYWKTLFX-ZDUSSCGKSA-N 2 2 292.383 0.190 20 0 CCADLP [NH3+]Cc1cc(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)ccn1 ZINC000424194991 235176362 /nfs/dbraw/zinc/17/63/62/235176362.db2.gz SNKVQRJHFGNODD-SNVBAGLBSA-N 2 2 284.310 0.515 20 0 CCADLP COCC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000336893974 355221528 /nfs/dbraw/zinc/22/15/28/355221528.db2.gz LIQGYNZJBSDKED-MELADBBJSA-N 2 2 255.406 0.637 20 0 CCADLP COCC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000336893974 355221530 /nfs/dbraw/zinc/22/15/30/355221530.db2.gz LIQGYNZJBSDKED-MELADBBJSA-N 2 2 255.406 0.637 20 0 CCADLP COCC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C)C[C@@H]2C)C1 ZINC000336893974 355221531 /nfs/dbraw/zinc/22/15/31/355221531.db2.gz LIQGYNZJBSDKED-MELADBBJSA-N 2 2 255.406 0.637 20 0 CCADLP COCC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C)C[C@@H]2C)C1 ZINC000336893974 355221533 /nfs/dbraw/zinc/22/15/33/355221533.db2.gz LIQGYNZJBSDKED-MELADBBJSA-N 2 2 255.406 0.637 20 0 CCADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)NC[C@@H]1CCCO1 ZINC000424277705 235192042 /nfs/dbraw/zinc/19/20/42/235192042.db2.gz AROQUUCTBHADCE-WUHRBBMRSA-N 2 2 269.389 0.530 20 0 CCADLP Cn1cc([C@@H]2C[N@H+](CCC3CC[NH2+]CC3)C[C@H]2[NH3+])cn1 ZINC000424303307 235196705 /nfs/dbraw/zinc/19/67/05/235196705.db2.gz ZKOYPSTZJNATJX-LSDHHAIUSA-N 3 2 277.416 0.536 20 0 CCADLP Cn1cc([C@@H]2C[N@@H+](CCC3CC[NH2+]CC3)C[C@H]2[NH3+])cn1 ZINC000424303307 235196707 /nfs/dbraw/zinc/19/67/07/235196707.db2.gz ZKOYPSTZJNATJX-LSDHHAIUSA-N 3 2 277.416 0.536 20 0 CCADLP COCCCNC(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000271893612 191395415 /nfs/dbraw/zinc/39/54/15/191395415.db2.gz FKWFXKMGXPVCJO-UHFFFAOYSA-N 2 2 268.361 0.358 20 0 CCADLP COCCCNC(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000271893612 191395418 /nfs/dbraw/zinc/39/54/18/191395418.db2.gz FKWFXKMGXPVCJO-UHFFFAOYSA-N 2 2 268.361 0.358 20 0 CCADLP C[C@H]1C[N@H+](CCN2CC[NH+](C3CCC3)CC2)CCO1 ZINC000337241825 355288953 /nfs/dbraw/zinc/28/89/53/355288953.db2.gz GEYPSLGKTKZKLR-AWEZNQCLSA-N 2 2 267.417 0.877 20 0 CCADLP C[C@H]1C[N@@H+](CCN2CC[NH+](C3CCC3)CC2)CCO1 ZINC000337241825 355288957 /nfs/dbraw/zinc/28/89/57/355288957.db2.gz GEYPSLGKTKZKLR-AWEZNQCLSA-N 2 2 267.417 0.877 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000337269731 355293624 /nfs/dbraw/zinc/29/36/24/355293624.db2.gz LYXRMLNCXTWVON-UHFFFAOYSA-N 2 2 270.377 0.250 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337269731 355293627 /nfs/dbraw/zinc/29/36/27/355293627.db2.gz LYXRMLNCXTWVON-UHFFFAOYSA-N 2 2 270.377 0.250 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](CCn2cc[nH+]c2C)C[C@@H](C)O1 ZINC000338343365 355326501 /nfs/dbraw/zinc/32/65/01/355326501.db2.gz RUOBPZUPJAJABR-PWSUYJOCSA-N 2 2 267.329 0.454 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](CCn2cc[nH+]c2C)C[C@@H](C)O1 ZINC000338343365 355326504 /nfs/dbraw/zinc/32/65/04/355326504.db2.gz RUOBPZUPJAJABR-PWSUYJOCSA-N 2 2 267.329 0.454 20 0 CCADLP CC(=O)C1(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000340299410 355553966 /nfs/dbraw/zinc/55/39/66/355553966.db2.gz FRCGWTUABPDCFZ-UHFFFAOYSA-N 2 2 295.427 0.840 20 0 CCADLP CC(=O)C1(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000340299410 355553970 /nfs/dbraw/zinc/55/39/70/355553970.db2.gz FRCGWTUABPDCFZ-UHFFFAOYSA-N 2 2 295.427 0.840 20 0 CCADLP CCOC(=O)C[N@H+](CC)CCC(=O)N1CC[NH+](C)CC1 ZINC000558720155 291070416 /nfs/dbraw/zinc/07/04/16/291070416.db2.gz OXKICXHIIYNNGJ-UHFFFAOYSA-N 2 2 285.388 0.036 20 0 CCADLP CCOC(=O)C[N@@H+](CC)CCC(=O)N1CC[NH+](C)CC1 ZINC000558720155 291070421 /nfs/dbraw/zinc/07/04/21/291070421.db2.gz OXKICXHIIYNNGJ-UHFFFAOYSA-N 2 2 285.388 0.036 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2CC23CC3)CC1 ZINC000425723325 235314591 /nfs/dbraw/zinc/31/45/91/235314591.db2.gz IUSVXHZFKSHBOC-CYBMUJFWSA-N 2 2 280.416 0.864 20 0 CCADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cn(C)nn2)C1 ZINC000341562160 355693184 /nfs/dbraw/zinc/69/31/84/355693184.db2.gz DNYJYLMAWKGUIT-AWEZNQCLSA-N 2 2 281.404 0.748 20 0 CCADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cn(C)nn2)C1 ZINC000341562160 355693186 /nfs/dbraw/zinc/69/31/86/355693186.db2.gz DNYJYLMAWKGUIT-AWEZNQCLSA-N 2 2 281.404 0.748 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000341639230 355709288 /nfs/dbraw/zinc/70/92/88/355709288.db2.gz NEEKOXIKKHFUJM-CHWSQXEVSA-N 2 2 269.389 0.117 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000341639230 355709290 /nfs/dbraw/zinc/70/92/90/355709290.db2.gz NEEKOXIKKHFUJM-CHWSQXEVSA-N 2 2 269.389 0.117 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000341691071 355715887 /nfs/dbraw/zinc/71/58/87/355715887.db2.gz DVHDKCLGRNUGMV-CHWSQXEVSA-N 2 2 291.461 0.035 20 0 CCADLP COc1cc[nH+]c(CN2CC[N@H+](CCO)[C@@H](C)C2)c1 ZINC000426486658 235338248 /nfs/dbraw/zinc/33/82/48/235338248.db2.gz MNFRGNGTVUUMPU-LBPRGKRZSA-N 2 2 265.357 0.589 20 0 CCADLP COc1cc[nH+]c(CN2CC[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000426486658 235338249 /nfs/dbraw/zinc/33/82/49/235338249.db2.gz MNFRGNGTVUUMPU-LBPRGKRZSA-N 2 2 265.357 0.589 20 0 CCADLP Cc1c[nH+]c(CN2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)n1C ZINC000342796230 355748875 /nfs/dbraw/zinc/74/88/75/355748875.db2.gz JPGVSOGGZBIQKP-QWHCGFSZSA-N 2 2 266.389 0.615 20 0 CCADLP Cc1c[nH+]c(CN2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)n1C ZINC000342796230 355748877 /nfs/dbraw/zinc/74/88/77/355748877.db2.gz JPGVSOGGZBIQKP-QWHCGFSZSA-N 2 2 266.389 0.615 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000345744680 355863352 /nfs/dbraw/zinc/86/33/52/355863352.db2.gz ZZWRZKDLZAEYGV-RYUDHWBXSA-N 2 2 253.390 0.927 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000345744680 355863355 /nfs/dbraw/zinc/86/33/55/355863355.db2.gz ZZWRZKDLZAEYGV-RYUDHWBXSA-N 2 2 253.390 0.927 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000345744680 355863357 /nfs/dbraw/zinc/86/33/57/355863357.db2.gz ZZWRZKDLZAEYGV-RYUDHWBXSA-N 2 2 253.390 0.927 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000345744680 355863358 /nfs/dbraw/zinc/86/33/58/355863358.db2.gz ZZWRZKDLZAEYGV-RYUDHWBXSA-N 2 2 253.390 0.927 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000346997427 355874675 /nfs/dbraw/zinc/87/46/75/355874675.db2.gz WLTODOMWXNACCW-VXGBXAGGSA-N 2 2 262.419 0.741 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000346997427 355874677 /nfs/dbraw/zinc/87/46/77/355874677.db2.gz WLTODOMWXNACCW-VXGBXAGGSA-N 2 2 262.419 0.741 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NCc2c[nH+]ccc2OC)C1 ZINC000348252692 355897058 /nfs/dbraw/zinc/89/70/58/355897058.db2.gz BEANZACWIOJZPV-ZDUSSCGKSA-N 2 2 279.340 0.427 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NCc2c[nH+]ccc2OC)C1 ZINC000348252692 355897062 /nfs/dbraw/zinc/89/70/62/355897062.db2.gz BEANZACWIOJZPV-ZDUSSCGKSA-N 2 2 279.340 0.427 20 0 CCADLP CC[C@H](C(=O)OC)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000352692855 356056171 /nfs/dbraw/zinc/05/61/71/356056171.db2.gz GZOAFEMBXROTEU-CQSZACIVSA-N 2 2 294.399 0.842 20 0 CCADLP CC[C@@H](C(=O)OC)N1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000352699192 356057897 /nfs/dbraw/zinc/05/78/97/356057897.db2.gz PBOXKDWGAAZFBQ-ZDUSSCGKSA-N 2 2 280.372 0.452 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000352936097 356114844 /nfs/dbraw/zinc/11/48/44/356114844.db2.gz UCSBGQULHLJPAI-UHFFFAOYSA-N 2 2 293.367 0.421 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000352971113 356123856 /nfs/dbraw/zinc/12/38/56/356123856.db2.gz XEKDMPALSOWOGD-GFCCVEGCSA-N 2 2 280.372 0.569 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000352971113 356123857 /nfs/dbraw/zinc/12/38/57/356123857.db2.gz XEKDMPALSOWOGD-GFCCVEGCSA-N 2 2 280.372 0.569 20 0 CCADLP C[NH+](C)Cc1cnc(C[NH2+]CC(=O)NCC2CC2)s1 ZINC000352744304 356068613 /nfs/dbraw/zinc/06/86/13/356068613.db2.gz ZEGIYOWGTUFBMJ-UHFFFAOYSA-N 2 2 282.413 0.821 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCN2CC[NH2+]CC2)C[N@@H+]1C1CC1 ZINC000423207820 291083072 /nfs/dbraw/zinc/08/30/72/291083072.db2.gz SHGLIKWZPMTWOO-QWHCGFSZSA-N 3 2 252.406 0.106 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCN2CC[NH2+]CC2)C[N@H+]1C1CC1 ZINC000423207820 291083076 /nfs/dbraw/zinc/08/30/76/291083076.db2.gz SHGLIKWZPMTWOO-QWHCGFSZSA-N 3 2 252.406 0.106 20 0 CCADLP CNC(=O)COc1cccc(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000353119692 356159536 /nfs/dbraw/zinc/15/95/36/356159536.db2.gz OUXBOJCSKTVENM-IUODEOHRSA-N 2 2 291.395 0.851 20 0 CCADLP CNC(=O)COc1cccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000353119692 356159538 /nfs/dbraw/zinc/15/95/38/356159538.db2.gz OUXBOJCSKTVENM-IUODEOHRSA-N 2 2 291.395 0.851 20 0 CCADLP CCCC[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000353201999 356177496 /nfs/dbraw/zinc/17/74/96/356177496.db2.gz IPTLBZWURKWRGK-STQMWFEESA-N 2 2 299.415 0.600 20 0 CCADLP CO[C@H](C[NH3+])C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000353427001 356219121 /nfs/dbraw/zinc/21/91/21/356219121.db2.gz NWRRAJOSANIAAE-CYBMUJFWSA-N 2 2 292.383 0.449 20 0 CCADLP C[C@H]1[C@@H](Nc2cc[nH+]c(N3CCOCC3)n2)CCC[N@@H+]1C ZINC000353284389 356195374 /nfs/dbraw/zinc/19/53/74/356195374.db2.gz YXAHJLVINJKDPB-STQMWFEESA-N 2 2 291.399 0.630 20 0 CCADLP C[C@H]1[C@@H](Nc2cc[nH+]c(N3CCOCC3)n2)CCC[N@H+]1C ZINC000353284389 356195377 /nfs/dbraw/zinc/19/53/77/356195377.db2.gz YXAHJLVINJKDPB-STQMWFEESA-N 2 2 291.399 0.630 20 0 CCADLP CCCC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000353581629 356253900 /nfs/dbraw/zinc/25/39/00/356253900.db2.gz YWTHFPVEHJJOSC-NEPJUHHUSA-N 2 2 257.378 0.341 20 0 CCADLP CCCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000353581629 356253902 /nfs/dbraw/zinc/25/39/02/356253902.db2.gz YWTHFPVEHJJOSC-NEPJUHHUSA-N 2 2 257.378 0.341 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)C2CCOCC2)C[N@@H+]1C1CC1 ZINC000360796887 138011141 /nfs/dbraw/zinc/01/11/41/138011141.db2.gz ACKXMJFLCYTVHR-UXIGCNINSA-N 2 2 268.401 0.989 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)C2CCOCC2)C[N@H+]1C1CC1 ZINC000360796887 138011142 /nfs/dbraw/zinc/01/11/42/138011142.db2.gz ACKXMJFLCYTVHR-UXIGCNINSA-N 2 2 268.401 0.989 20 0 CCADLP CN1CC[N@H+](C)[C@H](CNC(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000353502543 356240401 /nfs/dbraw/zinc/24/04/01/356240401.db2.gz PXFSHGBFBPZZEK-LSDHHAIUSA-N 2 2 296.459 0.613 20 0 CCADLP CN1CC[N@@H+](C)[C@H](CNC(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000353502543 356240404 /nfs/dbraw/zinc/24/04/04/356240404.db2.gz PXFSHGBFBPZZEK-LSDHHAIUSA-N 2 2 296.459 0.613 20 0 CCADLP CN1CC[NH+](C)[C@H](CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000353502543 356240406 /nfs/dbraw/zinc/24/04/06/356240406.db2.gz PXFSHGBFBPZZEK-LSDHHAIUSA-N 2 2 296.459 0.613 20 0 CCADLP CN1CC[NH+](C)[C@H](CNC(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000353502543 356240409 /nfs/dbraw/zinc/24/04/09/356240409.db2.gz PXFSHGBFBPZZEK-LSDHHAIUSA-N 2 2 296.459 0.613 20 0 CCADLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)[C@@H]1CCOC1 ZINC000361219654 138025518 /nfs/dbraw/zinc/02/55/18/138025518.db2.gz FVCUKUVYVFFEFA-HZSPNIEDSA-N 2 2 283.416 0.731 20 0 CCADLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)[C@@H]1CCOC1 ZINC000361219654 138025519 /nfs/dbraw/zinc/02/55/19/138025519.db2.gz FVCUKUVYVFFEFA-HZSPNIEDSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[N@@H+]1C ZINC000354073375 356341293 /nfs/dbraw/zinc/34/12/93/356341293.db2.gz WMFOIJSMRKZFOL-GHMZBOCLSA-N 2 2 250.346 0.941 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)CCc2[nH]cc[nH+]2)CC[N@H+]1C ZINC000354073375 356341298 /nfs/dbraw/zinc/34/12/98/356341298.db2.gz WMFOIJSMRKZFOL-GHMZBOCLSA-N 2 2 250.346 0.941 20 0 CCADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(N)=O)nc2)CC[N@@H+]1C ZINC000361925154 138038516 /nfs/dbraw/zinc/03/85/16/138038516.db2.gz HSMULCRBZMQIHW-CMPLNLGQSA-N 2 2 262.357 0.753 20 0 CCADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(N)=O)nc2)CC[N@H+]1C ZINC000361925154 138038517 /nfs/dbraw/zinc/03/85/17/138038517.db2.gz HSMULCRBZMQIHW-CMPLNLGQSA-N 2 2 262.357 0.753 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000354203548 356365378 /nfs/dbraw/zinc/36/53/78/356365378.db2.gz CBOYDVKHRNTKAN-CHWSQXEVSA-N 2 2 291.399 0.123 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000354203548 356365382 /nfs/dbraw/zinc/36/53/82/356365382.db2.gz CBOYDVKHRNTKAN-CHWSQXEVSA-N 2 2 291.399 0.123 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000362690809 138069720 /nfs/dbraw/zinc/06/97/20/138069720.db2.gz GJSXGLORSSSCMW-CHWSQXEVSA-N 2 2 283.416 0.411 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000362690809 138069721 /nfs/dbraw/zinc/06/97/21/138069721.db2.gz GJSXGLORSSSCMW-CHWSQXEVSA-N 2 2 283.416 0.411 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000362690809 138069722 /nfs/dbraw/zinc/06/97/22/138069722.db2.gz GJSXGLORSSSCMW-CHWSQXEVSA-N 2 2 283.416 0.411 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000362690809 138069723 /nfs/dbraw/zinc/06/97/23/138069723.db2.gz GJSXGLORSSSCMW-CHWSQXEVSA-N 2 2 283.416 0.411 20 0 CCADLP COC[C@@H](C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354983067 356543386 /nfs/dbraw/zinc/54/33/86/356543386.db2.gz IWMUTHJKDIMSRM-ZIAGYGMSSA-N 2 2 297.443 0.896 20 0 CCADLP COC[C@@H](C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354983067 356543391 /nfs/dbraw/zinc/54/33/91/356543391.db2.gz IWMUTHJKDIMSRM-ZIAGYGMSSA-N 2 2 297.443 0.896 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157367 363475106 /nfs/dbraw/zinc/47/51/06/363475106.db2.gz GNBYHOLWFVLGKF-NSHDSACASA-N 2 2 279.344 0.366 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157367 363475116 /nfs/dbraw/zinc/47/51/16/363475116.db2.gz GNBYHOLWFVLGKF-NSHDSACASA-N 2 2 279.344 0.366 20 0 CCADLP O=[S@](CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000609193163 363478342 /nfs/dbraw/zinc/47/83/42/363478342.db2.gz OOXATWSNPHBQQP-ZJNRKIDTSA-N 2 2 264.394 0.945 20 0 CCADLP O=[S@](CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000609193160 363478364 /nfs/dbraw/zinc/47/83/64/363478364.db2.gz OOXATWSNPHBQQP-FHSNZYRGSA-N 2 2 264.394 0.945 20 0 CCADLP O=[S@](CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000609193160 363478367 /nfs/dbraw/zinc/47/83/67/363478367.db2.gz OOXATWSNPHBQQP-FHSNZYRGSA-N 2 2 264.394 0.945 20 0 CCADLP CCCn1nccc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000560959789 291115099 /nfs/dbraw/zinc/11/50/99/291115099.db2.gz AGNLYARYKSEYRC-LLVKDONJSA-N 2 2 280.376 0.400 20 0 CCADLP CCCn1nccc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000560959789 291115101 /nfs/dbraw/zinc/11/51/01/291115101.db2.gz AGNLYARYKSEYRC-LLVKDONJSA-N 2 2 280.376 0.400 20 0 CCADLP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000356626045 356765092 /nfs/dbraw/zinc/76/50/92/356765092.db2.gz IRRULEIPEQLCOC-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000356626045 356765095 /nfs/dbraw/zinc/76/50/95/356765095.db2.gz IRRULEIPEQLCOC-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP CCC[C@H]1C[NH2+]CCN1C(=O)CCn1cc[nH+]c1 ZINC000359222414 356788244 /nfs/dbraw/zinc/78/82/44/356788244.db2.gz RAROVACAJMUOCU-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP CCCCN(CC)C(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359287648 356794020 /nfs/dbraw/zinc/79/40/20/356794020.db2.gz YNVIRBHEXITKJM-BETUJISGSA-N 2 2 253.390 0.786 20 0 CCADLP CCCCN(CC)C(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359287648 356794021 /nfs/dbraw/zinc/79/40/21/356794021.db2.gz YNVIRBHEXITKJM-BETUJISGSA-N 2 2 253.390 0.786 20 0 CCADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000359296424 356797225 /nfs/dbraw/zinc/79/72/25/356797225.db2.gz CVCBUAYVHRRZAJ-XGUBFFRZSA-N 2 2 293.411 0.308 20 0 CCADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000359296424 356797228 /nfs/dbraw/zinc/79/72/28/356797228.db2.gz CVCBUAYVHRRZAJ-XGUBFFRZSA-N 2 2 293.411 0.308 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NCC[NH+]2CCC2)no1 ZINC000359389323 356813744 /nfs/dbraw/zinc/81/37/44/356813744.db2.gz IDTXKNIFSMVKPC-UHFFFAOYSA-N 2 2 252.318 0.172 20 0 CCADLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)NC(=O)NC(C)C)CC1 ZINC000359953176 356927081 /nfs/dbraw/zinc/92/70/81/356927081.db2.gz VCYVPSSLDAJYBH-LLVKDONJSA-N 2 2 284.404 0.683 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000360545718 357037673 /nfs/dbraw/zinc/03/76/73/357037673.db2.gz HVKSOIXZUSAPIQ-UONOGXRCSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000360545718 357037676 /nfs/dbraw/zinc/03/76/76/357037676.db2.gz HVKSOIXZUSAPIQ-UONOGXRCSA-N 2 2 295.427 0.792 20 0 CCADLP C[N@H+](C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1)[C@H]1COC[C@H]1O ZINC000361381534 357046646 /nfs/dbraw/zinc/04/66/46/357046646.db2.gz OJDFWDZMOUUVCJ-CAOSSQGBSA-N 2 2 291.395 0.766 20 0 CCADLP C[N@@H+](C[C@@H]1CC[NH+](C)[C@@H]1c1cccnc1)[C@H]1COC[C@H]1O ZINC000361381534 357046647 /nfs/dbraw/zinc/04/66/47/357046647.db2.gz OJDFWDZMOUUVCJ-CAOSSQGBSA-N 2 2 291.395 0.766 20 0 CCADLP C[NH+](C[C@@H]1CC[N@H+](C)[C@@H]1c1cccnc1)[C@H]1COC[C@H]1O ZINC000361381534 357046648 /nfs/dbraw/zinc/04/66/48/357046648.db2.gz OJDFWDZMOUUVCJ-CAOSSQGBSA-N 2 2 291.395 0.766 20 0 CCADLP C[NH+](C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccnc1)[C@H]1COC[C@H]1O ZINC000361381534 357046649 /nfs/dbraw/zinc/04/66/49/357046649.db2.gz OJDFWDZMOUUVCJ-CAOSSQGBSA-N 2 2 291.395 0.766 20 0 CCADLP C[NH+](C)CCNC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000363971975 357073997 /nfs/dbraw/zinc/07/39/97/357073997.db2.gz PNYXETWTFIRHMD-ZDUSSCGKSA-N 2 2 276.384 0.976 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@H]1CCCCC[NH2+]1)[NH+]1CCOCC1 ZINC000364466641 357114119 /nfs/dbraw/zinc/11/41/19/357114119.db2.gz MAFAQUKEBFUEBX-BFHYXJOUSA-N 2 2 283.416 0.744 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CCOC3)C2)CC1 ZINC000364208140 357095999 /nfs/dbraw/zinc/09/59/99/357095999.db2.gz RAZCQWXWCMUUPF-QWHCGFSZSA-N 2 2 281.400 0.308 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CCOC3)C2)CC1 ZINC000364208140 357096001 /nfs/dbraw/zinc/09/60/01/357096001.db2.gz RAZCQWXWCMUUPF-QWHCGFSZSA-N 2 2 281.400 0.308 20 0 CCADLP COC(=O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000364646104 357128452 /nfs/dbraw/zinc/12/84/52/357128452.db2.gz LPFOJTSCSBLMBZ-UHFFFAOYSA-N 2 2 283.416 0.509 20 0 CCADLP CO[C@]1(C)CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000366483802 357216607 /nfs/dbraw/zinc/21/66/07/357216607.db2.gz UZSGLZSKJALTON-OAHLLOKOSA-N 2 2 283.416 0.651 20 0 CCADLP CO[C@]1(C)CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000366483802 357216612 /nfs/dbraw/zinc/21/66/12/357216612.db2.gz UZSGLZSKJALTON-OAHLLOKOSA-N 2 2 283.416 0.651 20 0 CCADLP O=C(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)NC1CCCC1 ZINC000655726869 412652825 /nfs/dbraw/zinc/65/28/25/412652825.db2.gz GXDGAEZKHMTZPG-HNNXBMFYSA-N 2 2 295.427 0.888 20 0 CCADLP CNS(=O)(=O)[C@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000371197620 357367655 /nfs/dbraw/zinc/36/76/55/357367655.db2.gz JTXAMIUTHGGLMY-OLZOCXBDSA-N 2 2 289.445 0.484 20 0 CCADLP CNS(=O)(=O)[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000371197620 357367660 /nfs/dbraw/zinc/36/76/60/357367660.db2.gz JTXAMIUTHGGLMY-OLZOCXBDSA-N 2 2 289.445 0.484 20 0 CCADLP CNS(=O)(=O)[C@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000371197620 357367661 /nfs/dbraw/zinc/36/76/61/357367661.db2.gz JTXAMIUTHGGLMY-OLZOCXBDSA-N 2 2 289.445 0.484 20 0 CCADLP CNS(=O)(=O)[C@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000371197620 357367665 /nfs/dbraw/zinc/36/76/65/357367665.db2.gz JTXAMIUTHGGLMY-OLZOCXBDSA-N 2 2 289.445 0.484 20 0 CCADLP CN(C)C(=O)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655748212 412654654 /nfs/dbraw/zinc/65/46/54/412654654.db2.gz TULUSLZTTAEOHJ-CYBMUJFWSA-N 2 2 269.389 0.308 20 0 CCADLP CC[C@](C)(CO)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655747651 412654173 /nfs/dbraw/zinc/65/41/73/412654173.db2.gz IMYQFQLLNNZXAR-ZIAGYGMSSA-N 2 2 256.390 0.990 20 0 CCADLP CCc1nc(N2CCC[N@H+](CC(N)=O)CC2)cc(C)[nH+]1 ZINC000376115458 357432874 /nfs/dbraw/zinc/43/28/74/357432874.db2.gz NURICNNXKQUVOG-UHFFFAOYSA-N 2 2 277.372 0.345 20 0 CCADLP CCc1nc(N2CCC[N@@H+](CC(N)=O)CC2)cc(C)[nH+]1 ZINC000376115458 357432878 /nfs/dbraw/zinc/43/28/78/357432878.db2.gz NURICNNXKQUVOG-UHFFFAOYSA-N 2 2 277.372 0.345 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000619902478 366383584 /nfs/dbraw/zinc/38/35/84/366383584.db2.gz INNHJGWNCJLPQP-OCCSQVGLSA-N 2 2 293.415 0.623 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)[C@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000619902478 366383589 /nfs/dbraw/zinc/38/35/89/366383589.db2.gz INNHJGWNCJLPQP-OCCSQVGLSA-N 2 2 293.415 0.623 20 0 CCADLP Cn1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)n1 ZINC000655736171 412655000 /nfs/dbraw/zinc/65/50/00/412655000.db2.gz NJNZKVVXGUWLIQ-AWEZNQCLSA-N 2 2 264.373 0.763 20 0 CCADLP C[NH2+]CCCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377196167 357551303 /nfs/dbraw/zinc/55/13/03/357551303.db2.gz HHGISNVPOIPEFE-CYBMUJFWSA-N 3 2 282.432 0.271 20 0 CCADLP C[NH2+]CCCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377196167 357551304 /nfs/dbraw/zinc/55/13/04/357551304.db2.gz HHGISNVPOIPEFE-CYBMUJFWSA-N 3 2 282.432 0.271 20 0 CCADLP Cc1nn(C)cc1C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449388533 236031391 /nfs/dbraw/zinc/03/13/91/236031391.db2.gz AIABVJOBOXWFBS-CQSZACIVSA-N 2 2 266.389 0.665 20 0 CCADLP Cc1nn(C)cc1C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449388533 236031393 /nfs/dbraw/zinc/03/13/93/236031393.db2.gz AIABVJOBOXWFBS-CQSZACIVSA-N 2 2 266.389 0.665 20 0 CCADLP CCOC(=O)[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000388633804 357735163 /nfs/dbraw/zinc/73/51/63/357735163.db2.gz WGTIWNZVYQUIKN-CHWSQXEVSA-N 2 2 272.389 0.574 20 0 CCADLP CCOC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000388633804 357735165 /nfs/dbraw/zinc/73/51/65/357735165.db2.gz WGTIWNZVYQUIKN-CHWSQXEVSA-N 2 2 272.389 0.574 20 0 CCADLP CCOC(=O)[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)CC)C1 ZINC000388633804 357735166 /nfs/dbraw/zinc/73/51/66/357735166.db2.gz WGTIWNZVYQUIKN-CHWSQXEVSA-N 2 2 272.389 0.574 20 0 CCADLP CCOC(=O)[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)CC)C1 ZINC000388633804 357735168 /nfs/dbraw/zinc/73/51/68/357735168.db2.gz WGTIWNZVYQUIKN-CHWSQXEVSA-N 2 2 272.389 0.574 20 0 CCADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCC(N)=O ZINC000389849410 357739233 /nfs/dbraw/zinc/73/92/33/357739233.db2.gz TWTGFQMZFBGCEB-OCCSQVGLSA-N 2 2 261.369 0.972 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCC(N)=O ZINC000389849410 357739240 /nfs/dbraw/zinc/73/92/40/357739240.db2.gz TWTGFQMZFBGCEB-OCCSQVGLSA-N 2 2 261.369 0.972 20 0 CCADLP Cc1nc(N[C@H](C)C2CC[NH+](C)CC2)nc(N)[nH+]1 ZINC000396475763 357762607 /nfs/dbraw/zinc/76/26/07/357762607.db2.gz UGOGUQWVJRWWLJ-MRVPVSSYSA-N 2 2 250.350 0.157 20 0 CCADLP Cc1nc(N)nc(N[C@H](C)C2CC[NH+](C)CC2)[nH+]1 ZINC000396475763 357762610 /nfs/dbraw/zinc/76/26/10/357762610.db2.gz UGOGUQWVJRWWLJ-MRVPVSSYSA-N 2 2 250.350 0.157 20 0 CCADLP CNC(=O)C1CCC([NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000334270977 283285930 /nfs/dbraw/zinc/28/59/30/283285930.db2.gz GFXYBGWAZMLUDT-WTIISPKJSA-N 2 2 253.390 0.831 20 0 CCADLP CNC(=O)C1CCC([NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000334270977 283285934 /nfs/dbraw/zinc/28/59/34/283285934.db2.gz GFXYBGWAZMLUDT-WTIISPKJSA-N 2 2 253.390 0.831 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCN2CCCC2=O)n1C ZINC000405335290 357824626 /nfs/dbraw/zinc/82/46/26/357824626.db2.gz HKWBJSCRAWFIIA-UHFFFAOYSA-N 2 2 265.361 0.198 20 0 CCADLP CCCN(C(=O)NCC[N@@H+]1CCOC[C@@H]1C)[C@H]1CC[NH2+]C1 ZINC000561164335 291119135 /nfs/dbraw/zinc/11/91/35/291119135.db2.gz PQPZBHVHFPNMSK-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CCCN(C(=O)NCC[N@H+]1CCOC[C@@H]1C)[C@H]1CC[NH2+]C1 ZINC000561164335 291119138 /nfs/dbraw/zinc/11/91/38/291119138.db2.gz PQPZBHVHFPNMSK-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CSCCCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000561181212 291119435 /nfs/dbraw/zinc/11/94/35/291119435.db2.gz VLIGIRRGQIMUBS-JTQLQIEISA-N 2 2 260.407 0.024 20 0 CCADLP CSCCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000561181212 291119437 /nfs/dbraw/zinc/11/94/37/291119437.db2.gz VLIGIRRGQIMUBS-JTQLQIEISA-N 2 2 260.407 0.024 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cc1c[nH+]cn1C ZINC000561201034 291120549 /nfs/dbraw/zinc/12/05/49/291120549.db2.gz SGFWWAZIJGKTTD-OCCSQVGLSA-N 2 2 292.383 0.284 20 0 CCADLP C[C@H]1C[C@H]([NH+](C)CCN2C(=O)NC(C)(C)C2=O)CC[N@@H+]1C ZINC000123750524 291125216 /nfs/dbraw/zinc/12/52/16/291125216.db2.gz SGLYOEXLTVJMSI-NWDGAFQWSA-N 2 2 296.415 0.731 20 0 CCADLP C[C@H]1C[C@H]([NH+](C)CCN2C(=O)NC(C)(C)C2=O)CC[N@H+]1C ZINC000123750524 291125217 /nfs/dbraw/zinc/12/52/17/291125217.db2.gz SGLYOEXLTVJMSI-NWDGAFQWSA-N 2 2 296.415 0.731 20 0 CCADLP C[C@H]1C[C@H]([N@H+](C)CCN2C(=O)NC(C)(C)C2=O)CC[NH+]1C ZINC000123750524 291125218 /nfs/dbraw/zinc/12/52/18/291125218.db2.gz SGLYOEXLTVJMSI-NWDGAFQWSA-N 2 2 296.415 0.731 20 0 CCADLP C[C@H]1C[C@H]([N@@H+](C)CCN2C(=O)NC(C)(C)C2=O)CC[NH+]1C ZINC000123750524 291125219 /nfs/dbraw/zinc/12/52/19/291125219.db2.gz SGLYOEXLTVJMSI-NWDGAFQWSA-N 2 2 296.415 0.731 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)C(C)(C)n1cncn1 ZINC000453251112 236272798 /nfs/dbraw/zinc/27/27/98/236272798.db2.gz AUTVZNRCDWZLQF-KBPBESRZSA-N 2 2 295.431 0.838 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)C(C)(C)n1cncn1 ZINC000453251112 236272801 /nfs/dbraw/zinc/27/28/01/236272801.db2.gz AUTVZNRCDWZLQF-KBPBESRZSA-N 2 2 295.431 0.838 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@H](C)[NH+](C)C ZINC000454334398 236290209 /nfs/dbraw/zinc/29/02/09/236290209.db2.gz DYXDTOITGKYFRR-QWRGUYRKSA-N 2 2 253.350 0.521 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCCC[NH2+]1)Cn1cc[nH+]c1 ZINC000165583178 295963374 /nfs/dbraw/zinc/96/33/74/295963374.db2.gz QNLJFTAIQHPXST-RYUDHWBXSA-N 2 2 250.346 0.778 20 0 CCADLP CNC(=O)C[C@@H](C)[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000346772206 283328829 /nfs/dbraw/zinc/32/88/29/283328829.db2.gz NXGDUPQUPPXWOW-OLZOCXBDSA-N 2 2 271.405 0.457 20 0 CCADLP CNC(=O)C[C@@H](C)[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000346772206 283328830 /nfs/dbraw/zinc/32/88/30/283328830.db2.gz NXGDUPQUPPXWOW-OLZOCXBDSA-N 2 2 271.405 0.457 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456197773 236367449 /nfs/dbraw/zinc/36/74/49/236367449.db2.gz FAWUWPPROLPFDP-FQUUOJAGSA-N 2 2 281.400 0.164 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456197773 236367455 /nfs/dbraw/zinc/36/74/55/236367455.db2.gz FAWUWPPROLPFDP-FQUUOJAGSA-N 2 2 281.400 0.164 20 0 CCADLP C[C@H]1C[NH+](C)C[C@@H]1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456197773 236367458 /nfs/dbraw/zinc/36/74/58/236367458.db2.gz FAWUWPPROLPFDP-FQUUOJAGSA-N 2 2 281.400 0.164 20 0 CCADLP C[C@H]1C[NH+](C)C[C@@H]1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456197773 236367460 /nfs/dbraw/zinc/36/74/60/236367460.db2.gz FAWUWPPROLPFDP-FQUUOJAGSA-N 2 2 281.400 0.164 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)n1C ZINC000655824295 412666600 /nfs/dbraw/zinc/66/66/00/412666600.db2.gz HVTIAEALBMKIHL-TXEJJXNPSA-N 3 2 265.405 0.916 20 0 CCADLP O=C(NCCC[NH2+]C1CC1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000418225561 358149466 /nfs/dbraw/zinc/14/94/66/358149466.db2.gz XPMUSNKBWPQBJS-AWEZNQCLSA-N 2 2 296.415 0.291 20 0 CCADLP O=C(NCCC[NH2+]C1CC1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000418225561 358149470 /nfs/dbraw/zinc/14/94/70/358149470.db2.gz XPMUSNKBWPQBJS-AWEZNQCLSA-N 2 2 296.415 0.291 20 0 CCADLP CCn1cc(CC[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)cn1 ZINC000329168208 202213900 /nfs/dbraw/zinc/21/39/00/202213900.db2.gz IQSUHLGVKRXFRM-UHFFFAOYSA-N 2 2 288.399 0.986 20 0 CCADLP C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420349785 358180316 /nfs/dbraw/zinc/18/03/16/358180316.db2.gz DUFHLYRULCDCMV-GXTWGEPZSA-N 2 2 291.395 0.606 20 0 CCADLP C[C@@H](C(=O)N1CCCc2ccccc21)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420349785 358180320 /nfs/dbraw/zinc/18/03/20/358180320.db2.gz DUFHLYRULCDCMV-GXTWGEPZSA-N 2 2 291.395 0.606 20 0 CCADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420350002 358180400 /nfs/dbraw/zinc/18/04/00/358180400.db2.gz FMQKYZGLMQINOL-QMVSFRDZSA-N 2 2 285.432 0.567 20 0 CCADLP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420350002 358180402 /nfs/dbraw/zinc/18/04/02/358180402.db2.gz FMQKYZGLMQINOL-QMVSFRDZSA-N 2 2 285.432 0.567 20 0 CCADLP C[NH2+]CCC[N@H+](C)CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000420389467 358181282 /nfs/dbraw/zinc/18/12/82/358181282.db2.gz OEFCMAAPJJKAIS-QWHCGFSZSA-N 2 2 298.431 0.932 20 0 CCADLP C[NH2+]CCC[N@@H+](C)CC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000420389467 358181285 /nfs/dbraw/zinc/18/12/85/358181285.db2.gz OEFCMAAPJJKAIS-QWHCGFSZSA-N 2 2 298.431 0.932 20 0 CCADLP C[C@@H](C(=O)N1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C)[NH+]1CCOCC1 ZINC000424057238 358208349 /nfs/dbraw/zinc/20/83/49/358208349.db2.gz CKRGSYWBPHMZGV-ZOBORPQBSA-N 2 2 283.416 0.539 20 0 CCADLP CNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157256740 283354198 /nfs/dbraw/zinc/35/41/98/283354198.db2.gz UWDKOAVIXPFILF-LBPRGKRZSA-N 2 2 282.388 0.392 20 0 CCADLP CNC(=O)NC(=O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157256740 283354199 /nfs/dbraw/zinc/35/41/99/283354199.db2.gz UWDKOAVIXPFILF-LBPRGKRZSA-N 2 2 282.388 0.392 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2(C)C)C1 ZINC000562340429 291145172 /nfs/dbraw/zinc/14/51/72/291145172.db2.gz JXGXEWXQWXQJAL-KGLIPLIRSA-N 2 2 297.443 0.990 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H]2CCC(=O)NC2(C)C)C1 ZINC000562340429 291145174 /nfs/dbraw/zinc/14/51/74/291145174.db2.gz JXGXEWXQWXQJAL-KGLIPLIRSA-N 2 2 297.443 0.990 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000495054374 358314304 /nfs/dbraw/zinc/31/43/04/358314304.db2.gz TZZUFBSWKRCXMB-QWHCGFSZSA-N 2 2 283.416 0.744 20 0 CCADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000495054374 358314307 /nfs/dbraw/zinc/31/43/07/358314307.db2.gz TZZUFBSWKRCXMB-QWHCGFSZSA-N 2 2 283.416 0.744 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000495054375 358314394 /nfs/dbraw/zinc/31/43/94/358314394.db2.gz TZZUFBSWKRCXMB-STQMWFEESA-N 2 2 283.416 0.744 20 0 CCADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000495054375 358314398 /nfs/dbraw/zinc/31/43/98/358314398.db2.gz TZZUFBSWKRCXMB-STQMWFEESA-N 2 2 283.416 0.744 20 0 CCADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCc1[nH]cc[nH+]1 ZINC000530643166 358413917 /nfs/dbraw/zinc/41/39/17/358413917.db2.gz UQJXCVSABJJTRZ-ZDUSSCGKSA-N 2 2 280.372 0.819 20 0 CCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)NCC[NH+]1CCC1 ZINC000533572367 358544370 /nfs/dbraw/zinc/54/43/70/358544370.db2.gz GRWKCKHLAVNPNA-UHFFFAOYSA-N 2 2 291.399 0.767 20 0 CCADLP CSC[C@H](O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000565536050 358562395 /nfs/dbraw/zinc/56/23/95/358562395.db2.gz RXSDUYBBPKGEKD-SNVBAGLBSA-N 2 2 258.391 0.300 20 0 CCADLP C[C@H](O)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000565712056 358565648 /nfs/dbraw/zinc/56/56/48/358565648.db2.gz NZNVQTATHFWYLG-WSOGJNRSSA-N 2 2 283.416 0.429 20 0 CCADLP C[C@H](O)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000565712056 358565649 /nfs/dbraw/zinc/56/56/49/358565649.db2.gz NZNVQTATHFWYLG-WSOGJNRSSA-N 2 2 283.416 0.429 20 0 CCADLP C[C@H]([NH2+]CC1(CS(C)(=O)=O)CC1)[C@H]1CCCC[NH2+]1 ZINC000422919739 299280721 /nfs/dbraw/zinc/28/07/21/299280721.db2.gz KJAPZLQSECCLSU-NWDGAFQWSA-N 2 2 274.430 0.931 20 0 CCADLP C[C@@H](CC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)n1cc[nH+]c1 ZINC000568153369 358636287 /nfs/dbraw/zinc/63/62/87/358636287.db2.gz CLMHIUUHYCMZGP-GRYCIOLGSA-N 2 2 250.346 0.948 20 0 CCADLP CCN(CC)C(=O)C[NH+]1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261916257 535431440 /nfs/dbraw/zinc/43/14/40/535431440.db2.gz ZJKPVCKVUDMQLK-INIZCTEOSA-N 2 2 296.459 0.472 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3cc(F)cc(F)c3)CCN2C1=O ZINC000568260689 358658639 /nfs/dbraw/zinc/65/86/39/358658639.db2.gz YIRPAHMIILNVTG-OLZOCXBDSA-N 2 2 281.306 0.709 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3cc(F)cc(F)c3)CCN2C1=O ZINC000568260689 358658642 /nfs/dbraw/zinc/65/86/42/358658642.db2.gz YIRPAHMIILNVTG-OLZOCXBDSA-N 2 2 281.306 0.709 20 0 CCADLP Cn1cc[nH+]c1CN1C(=O)N[C@]2(CCCC[C@@H]2C[NH3+])C1=O ZINC000568387037 358669790 /nfs/dbraw/zinc/66/97/90/358669790.db2.gz KPQVYDCYHXZMLJ-YGRLFVJLSA-N 2 2 291.355 0.360 20 0 CCADLP C[C@H]([NH2+]CC1([NH3+])CCC1)C(=O)NC(=O)NC(C)(C)C ZINC000342131619 299282106 /nfs/dbraw/zinc/28/21/06/299282106.db2.gz IJOJIXPTERLVRO-VIFPVBQESA-N 2 2 270.377 0.470 20 0 CCADLP O=S1(=O)CCC[C@H](C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000568512240 358680578 /nfs/dbraw/zinc/68/05/78/358680578.db2.gz RDXKEUXLOXMBPK-KGLIPLIRSA-N 2 2 286.441 0.887 20 0 CCADLP O=S1(=O)CCC[C@H](C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000568512240 358680581 /nfs/dbraw/zinc/68/05/81/358680581.db2.gz RDXKEUXLOXMBPK-KGLIPLIRSA-N 2 2 286.441 0.887 20 0 CCADLP Cc1cncc(C[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000569111469 358735218 /nfs/dbraw/zinc/73/52/18/358735218.db2.gz REIAHQWUCWBTQB-LZWOXQAQSA-N 2 2 293.411 0.950 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@@H](CO)Cc1ccncc1)C1CC1 ZINC000569122976 358737841 /nfs/dbraw/zinc/73/78/41/358737841.db2.gz QVLUXHWWZOSRGU-UKRRQHHQSA-N 2 2 279.384 0.030 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H](CO)Cc1ccncc1)C1CC1 ZINC000569122976 358737843 /nfs/dbraw/zinc/73/78/43/358737843.db2.gz QVLUXHWWZOSRGU-UKRRQHHQSA-N 2 2 279.384 0.030 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000569213598 358742237 /nfs/dbraw/zinc/74/22/37/358742237.db2.gz ZXDAGVDOECTYDE-VXGBXAGGSA-N 2 2 265.361 0.713 20 0 CCADLP Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H](O)C[NH+](C)C ZINC000570044238 358816473 /nfs/dbraw/zinc/81/64/73/358816473.db2.gz CDPARMXBAIRGBT-UONOGXRCSA-N 2 2 282.384 0.247 20 0 CCADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1CCCc1c[nH+]cn1C ZINC000569618522 358780466 /nfs/dbraw/zinc/78/04/66/358780466.db2.gz IJHDYKWKZHZKFU-ZIAGYGMSSA-N 2 2 280.416 0.740 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1CCCc1c[nH+]cn1C ZINC000569618522 358780470 /nfs/dbraw/zinc/78/04/70/358780470.db2.gz IJHDYKWKZHZKFU-ZIAGYGMSSA-N 2 2 280.416 0.740 20 0 CCADLP C[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)[C@H](C)CN1CCO ZINC000569618522 358780475 /nfs/dbraw/zinc/78/04/75/358780475.db2.gz IJHDYKWKZHZKFU-ZIAGYGMSSA-N 2 2 280.416 0.740 20 0 CCADLP C[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)[C@H](C)CN1CCO ZINC000569618522 358780478 /nfs/dbraw/zinc/78/04/78/358780478.db2.gz IJHDYKWKZHZKFU-ZIAGYGMSSA-N 2 2 280.416 0.740 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000569676679 358783809 /nfs/dbraw/zinc/78/38/09/358783809.db2.gz QAFDOZWYYSNEEX-OLZOCXBDSA-N 2 2 284.404 0.006 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000569676679 358783811 /nfs/dbraw/zinc/78/38/11/358783811.db2.gz QAFDOZWYYSNEEX-OLZOCXBDSA-N 2 2 284.404 0.006 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000570108282 358824768 /nfs/dbraw/zinc/82/47/68/358824768.db2.gz YFYGTVPPOZCQEI-JSGCOSHPSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000570108282 358824773 /nfs/dbraw/zinc/82/47/73/358824773.db2.gz YFYGTVPPOZCQEI-JSGCOSHPSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000570108282 358824777 /nfs/dbraw/zinc/82/47/77/358824777.db2.gz YFYGTVPPOZCQEI-JSGCOSHPSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000570108282 358824783 /nfs/dbraw/zinc/82/47/83/358824783.db2.gz YFYGTVPPOZCQEI-JSGCOSHPSA-N 2 2 294.399 0.551 20 0 CCADLP CO[C@](C)(CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C1CC1 ZINC000570188448 358832358 /nfs/dbraw/zinc/83/23/58/358832358.db2.gz RMHHUDQSMDFXCI-TZMCWYRMSA-N 2 2 284.404 0.086 20 0 CCADLP CO[C@](C)(CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C1CC1 ZINC000570188448 358832361 /nfs/dbraw/zinc/83/23/61/358832361.db2.gz RMHHUDQSMDFXCI-TZMCWYRMSA-N 2 2 284.404 0.086 20 0 CCADLP CCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000570210760 358833711 /nfs/dbraw/zinc/83/37/11/358833711.db2.gz UNFMKXSRQWMYMH-NEPJUHHUSA-N 2 2 285.388 0.115 20 0 CCADLP CCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000570210760 358833714 /nfs/dbraw/zinc/83/37/14/358833714.db2.gz UNFMKXSRQWMYMH-NEPJUHHUSA-N 2 2 285.388 0.115 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+][C@@H]2CCCOC2)C[C@H](C)O1 ZINC000570325490 358844696 /nfs/dbraw/zinc/84/46/96/358844696.db2.gz MVRBHBIEAGSKHO-RQJABVFESA-N 2 2 272.389 0.225 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+][C@@H]2CCCOC2)C[C@H](C)O1 ZINC000570325490 358844699 /nfs/dbraw/zinc/84/46/99/358844699.db2.gz MVRBHBIEAGSKHO-RQJABVFESA-N 2 2 272.389 0.225 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000570344696 358848358 /nfs/dbraw/zinc/84/83/58/358848358.db2.gz VNQXTQRCXNNSLK-QWHCGFSZSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000570344696 358848363 /nfs/dbraw/zinc/84/83/63/358848363.db2.gz VNQXTQRCXNNSLK-QWHCGFSZSA-N 2 2 269.389 0.213 20 0 CCADLP c1cn2c(cccc2C[NH2+]CCN2CCOCC2)[nH+]1 ZINC000570639481 358878538 /nfs/dbraw/zinc/87/85/38/358878538.db2.gz GITRDMMZRURLDN-UHFFFAOYSA-N 2 2 260.341 0.756 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000573023017 358932031 /nfs/dbraw/zinc/93/20/31/358932031.db2.gz OSJKZNDBEJLZEV-NSHDSACASA-N 2 2 263.345 0.661 20 0 CCADLP Cc1n[nH]cc1C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000574191704 359037755 /nfs/dbraw/zinc/03/77/55/359037755.db2.gz IHAISXJPPCMIEW-WDMOLILDSA-N 2 2 282.388 0.278 20 0 CCADLP Cc1n[nH]cc1C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000574191704 359037760 /nfs/dbraw/zinc/03/77/60/359037760.db2.gz IHAISXJPPCMIEW-WDMOLILDSA-N 2 2 282.388 0.278 20 0 CCADLP Cc1n[nH]cc1C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000574191702 359037872 /nfs/dbraw/zinc/03/78/72/359037872.db2.gz IHAISXJPPCMIEW-UHIISALHSA-N 2 2 282.388 0.278 20 0 CCADLP Cc1n[nH]cc1C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000574191702 359037875 /nfs/dbraw/zinc/03/78/75/359037875.db2.gz IHAISXJPPCMIEW-UHIISALHSA-N 2 2 282.388 0.278 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000573802865 359001266 /nfs/dbraw/zinc/00/12/66/359001266.db2.gz DPGVVUJVHFAKPS-UHFFFAOYSA-N 2 2 276.384 0.971 20 0 CCADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCNS(=O)(=O)c1ccccc1 ZINC000580841562 359099508 /nfs/dbraw/zinc/09/95/08/359099508.db2.gz TWBOWPIOKDRZLW-QWHCGFSZSA-N 2 2 297.424 0.777 20 0 CCADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCNS(=O)(=O)c1ccccc1 ZINC000580841562 359099513 /nfs/dbraw/zinc/09/95/13/359099513.db2.gz TWBOWPIOKDRZLW-QWHCGFSZSA-N 2 2 297.424 0.777 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000580894674 359105933 /nfs/dbraw/zinc/10/59/33/359105933.db2.gz LFDGDJYVHRNXBD-MCIONIFRSA-N 2 2 283.416 0.457 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000580894674 359105937 /nfs/dbraw/zinc/10/59/37/359105937.db2.gz LFDGDJYVHRNXBD-MCIONIFRSA-N 2 2 283.416 0.457 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000580950817 359112632 /nfs/dbraw/zinc/11/26/32/359112632.db2.gz AKRHKTGSUYJXDI-SCRDCRAPSA-N 2 2 299.415 0.361 20 0 CCADLP Cc1nc(N2CCN(C(=O)c3c[nH+]ccc3N)CC2)cc[nH+]1 ZINC000579839809 359053529 /nfs/dbraw/zinc/05/35/29/359053529.db2.gz XVABTBADFICURA-UHFFFAOYSA-N 2 2 298.350 0.555 20 0 CCADLP C[C@@H](C(=O)N(C)CCCN1CC[NH+](C)CC1)[NH+]1CC(C)C1 ZINC000582368675 359139737 /nfs/dbraw/zinc/13/97/37/359139737.db2.gz OJUQQRZTAOYNKJ-HNNXBMFYSA-N 2 2 296.459 0.423 20 0 CCADLP C[C@@H](C(=O)N(C)CCC[NH+]1CCN(C)CC1)[NH+]1CC(C)C1 ZINC000582368675 359139740 /nfs/dbraw/zinc/13/97/40/359139740.db2.gz OJUQQRZTAOYNKJ-HNNXBMFYSA-N 2 2 296.459 0.423 20 0 CCADLP CCC(=O)N1CCC[NH+](C[C@H](O)C[N@@H+](C)CC)CC1 ZINC000583212087 359152429 /nfs/dbraw/zinc/15/24/29/359152429.db2.gz IYXZUAUMJAWQBI-CYBMUJFWSA-N 2 2 271.405 0.243 20 0 CCADLP CCC(=O)N1CCC[NH+](C[C@H](O)C[N@H+](C)CC)CC1 ZINC000583212087 359152432 /nfs/dbraw/zinc/15/24/32/359152432.db2.gz IYXZUAUMJAWQBI-CYBMUJFWSA-N 2 2 271.405 0.243 20 0 CCADLP CCC(=O)N1CCC[N@@H+](C[C@H](O)C[NH+](C)CC)CC1 ZINC000583212087 359152435 /nfs/dbraw/zinc/15/24/35/359152435.db2.gz IYXZUAUMJAWQBI-CYBMUJFWSA-N 2 2 271.405 0.243 20 0 CCADLP CCC(=O)N1CCC[N@H+](C[C@H](O)C[NH+](C)CC)CC1 ZINC000583212087 359152437 /nfs/dbraw/zinc/15/24/37/359152437.db2.gz IYXZUAUMJAWQBI-CYBMUJFWSA-N 2 2 271.405 0.243 20 0 CCADLP C[NH2+]C[C@@H](C)CNc1cc(NC[C@H](C)C[NH2+]C)[nH+]cn1 ZINC000584731280 359198500 /nfs/dbraw/zinc/19/85/00/359198500.db2.gz FWDQVYDMUYGLTF-VXGBXAGGSA-N 3 2 280.420 0.433 20 0 CCADLP CO[C@H](C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000562989832 291178993 /nfs/dbraw/zinc/17/89/93/291178993.db2.gz TYYVTTYLQVQFEK-LJISPDSOSA-N 2 2 288.432 0.717 20 0 CCADLP CO[C@H](C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000562989832 291178995 /nfs/dbraw/zinc/17/89/95/291178995.db2.gz TYYVTTYLQVQFEK-LJISPDSOSA-N 2 2 288.432 0.717 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)[C@@H](C)C1 ZINC000591686755 359639724 /nfs/dbraw/zinc/63/97/24/359639724.db2.gz XZUCFGWMYMKJIT-AAEUAGOBSA-N 2 2 297.399 0.080 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)[C@@H](C)C1 ZINC000591686755 359639727 /nfs/dbraw/zinc/63/97/27/359639727.db2.gz XZUCFGWMYMKJIT-AAEUAGOBSA-N 2 2 297.399 0.080 20 0 CCADLP NC(=O)NC(=O)CC[NH2+]CCCNc1cccc[nH+]1 ZINC000591740853 359651198 /nfs/dbraw/zinc/65/11/98/359651198.db2.gz ULRZJAUKLNTTTG-UHFFFAOYSA-N 2 2 265.317 0.058 20 0 CCADLP C[C@H](C[S@](C)=O)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000591760485 359655234 /nfs/dbraw/zinc/65/52/34/359655234.db2.gz LAYQHNOKESEXSG-RCDCFZSISA-N 2 2 298.452 0.836 20 0 CCADLP C[C@H](C[S@](C)=O)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000591760485 359655238 /nfs/dbraw/zinc/65/52/38/359655238.db2.gz LAYQHNOKESEXSG-RCDCFZSISA-N 2 2 298.452 0.836 20 0 CCADLP O=C(NCC1CC[NH2+]CC1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000563105815 291193825 /nfs/dbraw/zinc/19/38/25/291193825.db2.gz DYOYWUDJYMCNJN-UHFFFAOYSA-N 2 2 286.339 0.392 20 0 CCADLP CC1(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000563137741 291197869 /nfs/dbraw/zinc/19/78/69/291197869.db2.gz ODVMWEPPZVFVPY-LBPRGKRZSA-N 2 2 251.374 0.683 20 0 CCADLP CC1(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000563137741 291197870 /nfs/dbraw/zinc/19/78/70/291197870.db2.gz ODVMWEPPZVFVPY-LBPRGKRZSA-N 2 2 251.374 0.683 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC[N@H+]2CCO[C@H](C)C2)C1 ZINC000563198385 291204291 /nfs/dbraw/zinc/20/42/91/291204291.db2.gz VJHPKCDSUNJHKB-JHJVBQTASA-N 2 2 269.389 0.211 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@@]2(C)CCC[NH2+]C2)CCO1 ZINC000563198292 291204352 /nfs/dbraw/zinc/20/43/52/291204352.db2.gz NTAKHMFHOYKJSJ-JSGCOSHPSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@]2(C)CCC[NH2+]C2)CCO1 ZINC000563198292 291204354 /nfs/dbraw/zinc/20/43/54/291204354.db2.gz NTAKHMFHOYKJSJ-JSGCOSHPSA-N 2 2 269.389 0.213 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C)([NH3+])CC1 ZINC000592485253 359853592 /nfs/dbraw/zinc/85/35/92/359853592.db2.gz UJIBKZIDGOXJGE-LLVKDONJSA-N 2 2 284.404 0.670 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000563198385 291204287 /nfs/dbraw/zinc/20/42/87/291204287.db2.gz VJHPKCDSUNJHKB-JHJVBQTASA-N 2 2 269.389 0.211 20 0 CCADLP C[NH+](C)C1(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000563200331 291204684 /nfs/dbraw/zinc/20/46/84/291204684.db2.gz PQPPMCHMTQSRCK-LLVKDONJSA-N 2 2 262.357 0.656 20 0 CCADLP C[NH+](C)CCC[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CCO1 ZINC000620976757 366611908 /nfs/dbraw/zinc/61/19/08/366611908.db2.gz LSWUKCYCUAMMCJ-CYBMUJFWSA-N 2 2 294.399 0.912 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[NH2+]1 ZINC000621159775 366663278 /nfs/dbraw/zinc/66/32/78/366663278.db2.gz RTLKHEZLHQLXHQ-JHJVBQTASA-N 2 2 276.384 0.980 20 0 CCADLP C[NH2+]CCCNC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000083419788 283519612 /nfs/dbraw/zinc/51/96/12/283519612.db2.gz JICBMPDVOUTVBL-LLVKDONJSA-N 2 2 257.284 0.690 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCOC[C@H]1C1CCC1 ZINC000563364755 291218020 /nfs/dbraw/zinc/21/80/20/291218020.db2.gz KLJJQWUYVLJREF-KBPBESRZSA-N 2 2 256.390 0.800 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCOC[C@H]1C1CCC1 ZINC000563364755 291218021 /nfs/dbraw/zinc/21/80/21/291218021.db2.gz KLJJQWUYVLJREF-KBPBESRZSA-N 2 2 256.390 0.800 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000563364755 291218024 /nfs/dbraw/zinc/21/80/24/291218024.db2.gz KLJJQWUYVLJREF-KBPBESRZSA-N 2 2 256.390 0.800 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000563364755 291218026 /nfs/dbraw/zinc/21/80/26/291218026.db2.gz KLJJQWUYVLJREF-KBPBESRZSA-N 2 2 256.390 0.800 20 0 CCADLP COC(=O)[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1CCCCC1 ZINC000593905377 360202352 /nfs/dbraw/zinc/20/23/52/360202352.db2.gz DRIFBLFCFKTJPO-OLZOCXBDSA-N 2 2 299.415 0.504 20 0 CCADLP COC(=O)CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C(C)C ZINC000593906488 360203531 /nfs/dbraw/zinc/20/35/31/360203531.db2.gz IDFCHLNEIFTMME-LLVKDONJSA-N 2 2 273.377 0.066 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C(C)C)C1COC1 ZINC000563366549 291217802 /nfs/dbraw/zinc/21/78/02/291217802.db2.gz ZYJZJKBTQZTULZ-ZDUSSCGKSA-N 2 2 260.378 0.035 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C(C)C)C1COC1 ZINC000563366549 291217805 /nfs/dbraw/zinc/21/78/05/291217805.db2.gz ZYJZJKBTQZTULZ-ZDUSSCGKSA-N 2 2 260.378 0.035 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C(C)C)C1COC1 ZINC000563366549 291217807 /nfs/dbraw/zinc/21/78/07/291217807.db2.gz ZYJZJKBTQZTULZ-ZDUSSCGKSA-N 2 2 260.378 0.035 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C(C)C)C1COC1 ZINC000563366549 291217809 /nfs/dbraw/zinc/21/78/09/291217809.db2.gz ZYJZJKBTQZTULZ-ZDUSSCGKSA-N 2 2 260.378 0.035 20 0 CCADLP CCOC(=O)CCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000611522546 363732040 /nfs/dbraw/zinc/73/20/40/363732040.db2.gz HUZLEAHXRKUQLX-UHFFFAOYSA-N 2 2 285.388 0.036 20 0 CCADLP CCOC(=O)CCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000611522546 363732042 /nfs/dbraw/zinc/73/20/42/363732042.db2.gz HUZLEAHXRKUQLX-UHFFFAOYSA-N 2 2 285.388 0.036 20 0 CCADLP CC[N@H+](CC[NH2+]C[C@@H]1CNc2ccnn2C1)C1CC1 ZINC000595148527 360445024 /nfs/dbraw/zinc/44/50/24/360445024.db2.gz YESIRUVXQVQVCM-GFCCVEGCSA-N 2 2 263.389 0.999 20 0 CCADLP CC[N@@H+](CC[NH2+]C[C@@H]1CNc2ccnn2C1)C1CC1 ZINC000595148527 360445027 /nfs/dbraw/zinc/44/50/27/360445027.db2.gz YESIRUVXQVQVCM-GFCCVEGCSA-N 2 2 263.389 0.999 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000594925341 360416864 /nfs/dbraw/zinc/41/68/64/360416864.db2.gz RUACARZOQWKRIT-WUHRBBMRSA-N 2 2 269.389 0.019 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000594925341 360416867 /nfs/dbraw/zinc/41/68/67/360416867.db2.gz RUACARZOQWKRIT-WUHRBBMRSA-N 2 2 269.389 0.019 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000594946049 360424080 /nfs/dbraw/zinc/42/40/80/360424080.db2.gz MXQBZUSIDACVHO-IRCOFANPSA-N 2 2 263.341 0.985 20 0 CCADLP C[N@@H+]1CC[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC000595706541 360626581 /nfs/dbraw/zinc/62/65/81/360626581.db2.gz YRMHMAKORLGWLI-LBPRGKRZSA-N 2 2 250.346 0.731 20 0 CCADLP C[N@H+]1CC[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC000595706541 360626583 /nfs/dbraw/zinc/62/65/83/360626583.db2.gz YRMHMAKORLGWLI-LBPRGKRZSA-N 2 2 250.346 0.731 20 0 CCADLP COC(=O)CCN1CC[C@H]([NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)C1=O ZINC000595893635 360693261 /nfs/dbraw/zinc/69/32/61/360693261.db2.gz TVXNBHVGRMKMIY-NRWUCQMLSA-N 2 2 297.399 0.127 20 0 CCADLP C[C@@H]([NH3+])CCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000269159242 296019606 /nfs/dbraw/zinc/01/96/06/296019606.db2.gz KDVIWLKBOUFPGY-CYBMUJFWSA-N 2 2 291.395 0.986 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1F ZINC000597086949 361006344 /nfs/dbraw/zinc/00/63/44/361006344.db2.gz PIGXFBMTWWVTNN-OAHLLOKOSA-N 2 2 296.342 0.769 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1F ZINC000597086949 361006345 /nfs/dbraw/zinc/00/63/45/361006345.db2.gz PIGXFBMTWWVTNN-OAHLLOKOSA-N 2 2 296.342 0.769 20 0 CCADLP COC(=O)[C@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000597245794 361040040 /nfs/dbraw/zinc/04/00/40/361040040.db2.gz ONEWUNVQDONHCS-MRVWCRGKSA-N 2 2 282.384 0.781 20 0 CCADLP COC(=O)[C@H]1C[C@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000597242565 361040129 /nfs/dbraw/zinc/04/01/29/361040129.db2.gz BYBPZYPVLFVUQO-MGCOHNPYSA-N 2 2 266.345 0.527 20 0 CCADLP C(C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)N1CC[NH2+]CC1 ZINC000563811571 291252248 /nfs/dbraw/zinc/25/22/48/291252248.db2.gz BJAKPZKTFPECBB-RDJZCZTQSA-N 3 2 292.471 0.840 20 0 CCADLP C(C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)N1CC[NH2+]CC1 ZINC000563811571 291252251 /nfs/dbraw/zinc/25/22/51/291252251.db2.gz BJAKPZKTFPECBB-RDJZCZTQSA-N 3 2 292.471 0.840 20 0 CCADLP C(C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CC[NH2+]CC1 ZINC000563811571 291252253 /nfs/dbraw/zinc/25/22/53/291252253.db2.gz BJAKPZKTFPECBB-RDJZCZTQSA-N 3 2 292.471 0.840 20 0 CCADLP C(C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CC[NH2+]CC1 ZINC000563811571 291252254 /nfs/dbraw/zinc/25/22/54/291252254.db2.gz BJAKPZKTFPECBB-RDJZCZTQSA-N 3 2 292.471 0.840 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000563992230 291262740 /nfs/dbraw/zinc/26/27/40/291262740.db2.gz DGQBBWMNIHXXKE-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000563992230 291262742 /nfs/dbraw/zinc/26/27/42/291262742.db2.gz DGQBBWMNIHXXKE-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP CCCn1nccc1NC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000631823156 370688514 /nfs/dbraw/zinc/68/85/14/370688514.db2.gz XNGPHNXUICPTMA-NEPJUHHUSA-N 2 2 279.388 0.901 20 0 CCADLP CCCn1nccc1NC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000631823156 370688520 /nfs/dbraw/zinc/68/85/20/370688520.db2.gz XNGPHNXUICPTMA-NEPJUHHUSA-N 2 2 279.388 0.901 20 0 CCADLP Cc1cccc(COCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000621624751 366811489 /nfs/dbraw/zinc/81/14/89/366811489.db2.gz WETKZAUWQWYQOF-OAHLLOKOSA-N 2 2 291.395 0.613 20 0 CCADLP Cc1cccc(COCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000621624751 366811493 /nfs/dbraw/zinc/81/14/93/366811493.db2.gz WETKZAUWQWYQOF-OAHLLOKOSA-N 2 2 291.395 0.613 20 0 CCADLP Nc1cc[nH+]cc1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000262126402 283681668 /nfs/dbraw/zinc/68/16/68/283681668.db2.gz COCMSLXTNQOIQC-UHFFFAOYSA-N 2 2 260.341 0.974 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)c[nH]1 ZINC000598992965 361547198 /nfs/dbraw/zinc/54/71/98/361547198.db2.gz FPUHHCXQFWJRFG-LLVKDONJSA-N 2 2 251.330 0.985 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@H]2CCC[N@H+]2C)c[nH]1 ZINC000598992965 361547200 /nfs/dbraw/zinc/54/72/00/361547200.db2.gz FPUHHCXQFWJRFG-LLVKDONJSA-N 2 2 251.330 0.985 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]Cc2cccn2C)C[C@@H](C)O1 ZINC000564444939 291279612 /nfs/dbraw/zinc/27/96/12/291279612.db2.gz VYMMYXBSDVNWPA-NFAWXSAZSA-N 2 2 281.400 0.585 20 0 CCADLP FC(F)[C@@H]1C[NH2+]CCN1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000564452150 291280248 /nfs/dbraw/zinc/28/02/48/291280248.db2.gz BRCGNAHPBOCSMB-TUAOUCFPSA-N 2 2 275.343 0.389 20 0 CCADLP FC(F)[C@@H]1C[NH2+]CCN1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000564452150 291280252 /nfs/dbraw/zinc/28/02/52/291280252.db2.gz BRCGNAHPBOCSMB-TUAOUCFPSA-N 2 2 275.343 0.389 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000599307338 361644317 /nfs/dbraw/zinc/64/43/17/361644317.db2.gz SEDKKGOOIONEOM-ZDUSSCGKSA-N 2 2 281.356 0.834 20 0 CCADLP CCc1cc(NC[C@@](C)(O)C[NH+]2CCOCC2)nc(C)[nH+]1 ZINC000302068032 201328448 /nfs/dbraw/zinc/32/84/48/201328448.db2.gz DFJRULRIYCGXDC-OAHLLOKOSA-N 2 2 294.399 0.843 20 0 CCADLP CCO[C@@H]1C[N@@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1C[NH3+] ZINC000631829310 370696307 /nfs/dbraw/zinc/69/63/07/370696307.db2.gz NCVIRFUUQFAKHI-KWCYVHTRSA-N 2 2 281.400 0.435 20 0 CCADLP CCO[C@@H]1C[N@H+]([C@H]2CCN(C3CCC3)C2=O)C[C@H]1C[NH3+] ZINC000631829310 370696311 /nfs/dbraw/zinc/69/63/11/370696311.db2.gz NCVIRFUUQFAKHI-KWCYVHTRSA-N 2 2 281.400 0.435 20 0 CCADLP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2CCC[C@](C)(F)C2)C1=O ZINC000564632329 291289169 /nfs/dbraw/zinc/28/91/69/291289169.db2.gz XERJXPFYQGAHJZ-FZMZJTMJSA-N 2 2 285.363 0.500 20 0 CCADLP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2CCC[C@](C)(F)C2)C1=O ZINC000564632329 291289170 /nfs/dbraw/zinc/28/91/70/291289170.db2.gz XERJXPFYQGAHJZ-FZMZJTMJSA-N 2 2 285.363 0.500 20 0 CCADLP C[C@]1(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC[NH2+]C1 ZINC000612896090 364036185 /nfs/dbraw/zinc/03/61/85/364036185.db2.gz OKPKKDJDMDMEPB-WFASDCNBSA-N 2 2 289.383 0.712 20 0 CCADLP C[C@@H](NC(=O)N[C@@]1(C)CC[NH2+]C1)c1[nH+]ccn1C ZINC000612929189 364048902 /nfs/dbraw/zinc/04/89/02/364048902.db2.gz FOVPXPIAAOSGOS-SKDRFNHKSA-N 2 2 251.334 0.532 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N[C@H]2CC23CC[NH2+]CC3)c1 ZINC000612984192 364068460 /nfs/dbraw/zinc/06/84/60/364068460.db2.gz AFZWUBVRFCIOIT-LBPRGKRZSA-N 2 2 277.372 0.404 20 0 CCADLP C[C@H](c1nnnn1C1CC1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837109 370702236 /nfs/dbraw/zinc/70/22/36/370702236.db2.gz MYGCYMFDROUEJQ-OPRDCNLKSA-N 2 2 250.350 0.596 20 0 CCADLP C[C@H](c1nnnn1C1CC1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631837109 370702241 /nfs/dbraw/zinc/70/22/41/370702241.db2.gz MYGCYMFDROUEJQ-OPRDCNLKSA-N 2 2 250.350 0.596 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2(CO)CC2)CC1 ZINC000613255507 364183989 /nfs/dbraw/zinc/18/39/89/364183989.db2.gz OBNQNHONUKWMNV-UHFFFAOYSA-N 2 2 284.400 0.766 20 0 CCADLP O=C([C@@H]1COCC[N@@H+]1CC1CCC1)N1CCC[NH2+]CC1 ZINC000422708561 296057264 /nfs/dbraw/zinc/05/72/64/296057264.db2.gz JEHVRCUCUWDQPF-AWEZNQCLSA-N 2 2 281.400 0.309 20 0 CCADLP O=C([C@@H]1COCC[N@H+]1CC1CCC1)N1CCC[NH2+]CC1 ZINC000422708561 296057267 /nfs/dbraw/zinc/05/72/67/296057267.db2.gz JEHVRCUCUWDQPF-AWEZNQCLSA-N 2 2 281.400 0.309 20 0 CCADLP COc1ccc(C[NH+]2CCC([NH2+]CCO)CC2)cn1 ZINC000631863395 370723221 /nfs/dbraw/zinc/72/32/21/370723221.db2.gz ZTNIZHMNEQWEBH-UHFFFAOYSA-N 2 2 265.357 0.637 20 0 CCADLP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631863879 370725118 /nfs/dbraw/zinc/72/51/18/370725118.db2.gz HGBGSPAEWKNOJV-LBPRGKRZSA-N 2 2 285.432 0.726 20 0 CCADLP CC(C)N1CCC[C@@H]([NH+]2CCC([NH2+]CCO)CC2)C1=O ZINC000631863967 370725256 /nfs/dbraw/zinc/72/52/56/370725256.db2.gz GQPPIWLTNFRLCR-CQSZACIVSA-N 2 2 283.416 0.432 20 0 CCADLP C[C@H](C(=O)NC1CCCC1)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631866753 370726352 /nfs/dbraw/zinc/72/63/52/370726352.db2.gz XSCFZSQYWRLDRQ-GFCCVEGCSA-N 2 2 283.416 0.480 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)C[C@H](C)O1 ZINC000631870536 370729736 /nfs/dbraw/zinc/72/97/36/370729736.db2.gz QPRZAYHHWAKOLE-COMQUAJESA-N 2 2 281.400 0.354 20 0 CCADLP CCC[C@H]1C[NH2+]CCN1S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631933213 370767597 /nfs/dbraw/zinc/76/75/97/370767597.db2.gz GQFCTTKZWHDWKG-LBPRGKRZSA-N 2 2 289.445 0.484 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000614035677 364470707 /nfs/dbraw/zinc/47/07/07/364470707.db2.gz YJBMNMBJDZABPI-VXGBXAGGSA-N 2 2 274.368 0.688 20 0 CCADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000564954262 291325020 /nfs/dbraw/zinc/32/50/20/291325020.db2.gz KHTDFWKWLMITJV-JQWIXIFHSA-N 2 2 271.324 0.829 20 0 CCADLP C[C@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)nn2)CC[NH2+]1 ZINC000564949411 291323841 /nfs/dbraw/zinc/32/38/41/291323841.db2.gz XUDIISLHTJPAGO-WDEREUQCSA-N 2 2 286.339 0.533 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000564949178 291323963 /nfs/dbraw/zinc/32/39/63/291323963.db2.gz KVBNPDLNVZZQNL-CYBMUJFWSA-N 2 2 298.431 0.030 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000564949178 291323966 /nfs/dbraw/zinc/32/39/66/291323966.db2.gz KVBNPDLNVZZQNL-CYBMUJFWSA-N 2 2 298.431 0.030 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000335637759 212353774 /nfs/dbraw/zinc/35/37/74/212353774.db2.gz IAUWBQXJUDCXAF-QWRGUYRKSA-N 2 2 265.361 0.795 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000615185267 364874273 /nfs/dbraw/zinc/87/42/73/364874273.db2.gz WBQRMNMJQDJSRS-HKUMRIAESA-N 2 2 274.368 0.686 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000615185267 364874276 /nfs/dbraw/zinc/87/42/76/364874276.db2.gz WBQRMNMJQDJSRS-HKUMRIAESA-N 2 2 274.368 0.686 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2c(F)cccc2F)CC[NH2+]1 ZINC000335610779 212322826 /nfs/dbraw/zinc/32/28/26/212322826.db2.gz ZUVFBURTBWRWFD-PELKAZGASA-N 2 2 269.295 0.785 20 0 CCADLP C[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)c1[nH]cc[nH+]1 ZINC000615158498 364865074 /nfs/dbraw/zinc/86/50/74/364865074.db2.gz QIFLAHYVLLMINU-SNVBAGLBSA-N 2 2 276.344 0.659 20 0 CCADLP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000615302644 364911702 /nfs/dbraw/zinc/91/17/02/364911702.db2.gz MZTNOZPEUMGTEC-UPJWGTAASA-N 2 2 276.384 0.997 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564987366 291331768 /nfs/dbraw/zinc/33/17/68/291331768.db2.gz ZGVWFAGUFPECSB-HOCLYGCPSA-N 2 2 297.443 0.993 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564987366 291331769 /nfs/dbraw/zinc/33/17/69/291331769.db2.gz ZGVWFAGUFPECSB-HOCLYGCPSA-N 2 2 297.443 0.993 20 0 CCADLP Cn1ncc2c1nc(N)[nH+]c2N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000656110204 412742237 /nfs/dbraw/zinc/74/22/37/412742237.db2.gz YIHMNFGGGKRKFZ-UWVGGRQHSA-N 2 2 287.371 0.984 20 0 CCADLP Cn1ncc2c1nc(N)[nH+]c2N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000656110204 412742238 /nfs/dbraw/zinc/74/22/38/412742238.db2.gz YIHMNFGGGKRKFZ-UWVGGRQHSA-N 2 2 287.371 0.984 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC000335567083 212277491 /nfs/dbraw/zinc/27/74/91/212277491.db2.gz XRMCMBAEDYQSJW-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H](C)C1 ZINC000335567083 212277493 /nfs/dbraw/zinc/27/74/93/212277493.db2.gz XRMCMBAEDYQSJW-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000656106053 412742508 /nfs/dbraw/zinc/74/25/08/412742508.db2.gz JPMMOKMNQOXBFG-NSHDSACASA-N 2 2 293.371 0.368 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000616307104 365256559 /nfs/dbraw/zinc/25/65/59/365256559.db2.gz FWYOBGGKWCCCGO-QJPTWQEYSA-N 2 2 262.357 0.734 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000616307104 365256562 /nfs/dbraw/zinc/25/65/62/365256562.db2.gz FWYOBGGKWCCCGO-QJPTWQEYSA-N 2 2 262.357 0.734 20 0 CCADLP Cn1cc[nH+]c1[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(C)(C)CO ZINC000616863322 365462150 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CN(C[C@H]1CCC[N@@H+]1C)C(=O)CCc1[nH]cc[nH+]1 ZINC000622728760 367361546 /nfs/dbraw/zinc/36/15/46/367361546.db2.gz KAVPRBBRXPCONH-LLVKDONJSA-N 2 2 250.346 0.895 20 0 CCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)CCc1[nH]cc[nH+]1 ZINC000622728760 367361556 /nfs/dbraw/zinc/36/15/56/367361556.db2.gz KAVPRBBRXPCONH-LLVKDONJSA-N 2 2 250.346 0.895 20 0 CCADLP [NH3+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623180165 367467984 /nfs/dbraw/zinc/46/79/84/367467984.db2.gz UWENOAIPGWEJPH-IJLUTSLNSA-N 2 2 262.357 0.832 20 0 CCADLP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623180395 367469624 /nfs/dbraw/zinc/46/96/24/367469624.db2.gz CCSVOOOLKRGFNW-VXGBXAGGSA-N 2 2 264.373 0.935 20 0 CCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)CC[NH2+]C(C)C)CC1 ZINC000566250737 291385127 /nfs/dbraw/zinc/38/51/27/291385127.db2.gz DUNZRDSTRHYUTH-UHFFFAOYSA-N 2 2 298.431 0.045 20 0 CCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)CC[NH2+]C(C)C)CC1 ZINC000566250737 291385130 /nfs/dbraw/zinc/38/51/30/291385130.db2.gz DUNZRDSTRHYUTH-UHFFFAOYSA-N 2 2 298.431 0.045 20 0 CCADLP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cn1 ZINC000623259172 367496998 /nfs/dbraw/zinc/49/69/98/367496998.db2.gz TVRHJSMHKIXCIK-CYBMUJFWSA-N 2 2 285.351 0.694 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623176068 367464374 /nfs/dbraw/zinc/46/43/74/367464374.db2.gz CVFDRYHYDHIQIS-LBPRGKRZSA-N 2 2 264.373 0.950 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623302559 367525611 /nfs/dbraw/zinc/52/56/11/367525611.db2.gz JJRVTWZPCMYUHG-LLVKDONJSA-N 2 2 250.346 0.656 20 0 CCADLP O=C(N[C@H]1CCn2c[nH+]cc2C1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000623303082 367525950 /nfs/dbraw/zinc/52/59/50/367525950.db2.gz VMXRTQWWLKOJMI-SMDDNHRTSA-N 2 2 274.368 0.941 20 0 CCADLP O=C(N[C@H]1CCn2c[nH+]cc2C1)[C@H]1CCC[N@H+]1C1CC1 ZINC000623303082 367525957 /nfs/dbraw/zinc/52/59/57/367525957.db2.gz VMXRTQWWLKOJMI-SMDDNHRTSA-N 2 2 274.368 0.941 20 0 CCADLP C[C@H](C(=O)N[C@H]1Cc2c[nH+]cn2C1)[NH+]1CCSCC1 ZINC000623263157 367502114 /nfs/dbraw/zinc/50/21/14/367502114.db2.gz DOWDFNWGTVFPDQ-MNOVXSKESA-N 2 2 280.397 0.361 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623303938 367525301 /nfs/dbraw/zinc/52/53/01/367525301.db2.gz NPZSILQYDGMRDI-YPMHNXCESA-N 2 2 262.357 0.798 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623303938 367525307 /nfs/dbraw/zinc/52/53/07/367525307.db2.gz NPZSILQYDGMRDI-YPMHNXCESA-N 2 2 262.357 0.798 20 0 CCADLP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H]([NH3+])c1cscn1 ZINC000566298390 291391412 /nfs/dbraw/zinc/39/14/12/291391412.db2.gz XKSVUGVSXOMPFP-CKYFFXLPSA-N 2 2 280.397 0.838 20 0 CCADLP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]([NH3+])c1cscn1 ZINC000566298390 291391415 /nfs/dbraw/zinc/39/14/15/291391415.db2.gz XKSVUGVSXOMPFP-CKYFFXLPSA-N 2 2 280.397 0.838 20 0 CCADLP O=C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)NCc1cccnc1 ZINC000566302666 291392596 /nfs/dbraw/zinc/39/25/96/291392596.db2.gz FYJLVUIRTDMGLL-MRXNPFEDSA-N 2 2 288.395 0.773 20 0 CCADLP O=C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)NCc1cccnc1 ZINC000566302666 291392597 /nfs/dbraw/zinc/39/25/97/291392597.db2.gz FYJLVUIRTDMGLL-MRXNPFEDSA-N 2 2 288.395 0.773 20 0 CCADLP C[N@@H+]1CCCC[C@@H](CNC(=O)NCCn2cc[nH+]c2)C1 ZINC000623705048 367623288 /nfs/dbraw/zinc/62/32/88/367623288.db2.gz BSVAUFQUPDKOGL-ZDUSSCGKSA-N 2 2 279.388 0.914 20 0 CCADLP C[N@H+]1CCCC[C@@H](CNC(=O)NCCn2cc[nH+]c2)C1 ZINC000623705048 367623294 /nfs/dbraw/zinc/62/32/94/367623294.db2.gz BSVAUFQUPDKOGL-ZDUSSCGKSA-N 2 2 279.388 0.914 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000623709997 367625553 /nfs/dbraw/zinc/62/55/53/367625553.db2.gz PTQKEUNKMQAPLO-TZMCWYRMSA-N 2 2 296.415 0.101 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000623709997 367625561 /nfs/dbraw/zinc/62/55/61/367625561.db2.gz PTQKEUNKMQAPLO-TZMCWYRMSA-N 2 2 296.415 0.101 20 0 CCADLP C[NH+]1CCOC[C@H]1CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000623709997 367625564 /nfs/dbraw/zinc/62/55/64/367625564.db2.gz PTQKEUNKMQAPLO-TZMCWYRMSA-N 2 2 296.415 0.101 20 0 CCADLP C[NH+]1CCOC[C@H]1CNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000623709997 367625571 /nfs/dbraw/zinc/62/55/71/367625571.db2.gz PTQKEUNKMQAPLO-TZMCWYRMSA-N 2 2 296.415 0.101 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000566319724 291393937 /nfs/dbraw/zinc/39/39/37/291393937.db2.gz CVZQEZFVWKOYQF-ZDUSSCGKSA-N 2 2 276.384 0.918 20 0 CCADLP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000566341986 291396175 /nfs/dbraw/zinc/39/61/75/291396175.db2.gz SCUFZLAPRPPBNB-GFCCVEGCSA-N 2 2 298.412 0.271 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000566352050 291396719 /nfs/dbraw/zinc/39/67/19/291396719.db2.gz STZDEMAZDQDPJR-DOMZBBRYSA-N 2 2 293.415 0.832 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000566352050 291396721 /nfs/dbraw/zinc/39/67/21/291396721.db2.gz STZDEMAZDQDPJR-DOMZBBRYSA-N 2 2 293.415 0.832 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000566352050 291396723 /nfs/dbraw/zinc/39/67/23/291396723.db2.gz STZDEMAZDQDPJR-DOMZBBRYSA-N 2 2 293.415 0.832 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000566352050 291396726 /nfs/dbraw/zinc/39/67/26/291396726.db2.gz STZDEMAZDQDPJR-DOMZBBRYSA-N 2 2 293.415 0.832 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCCn1cc[nH+]c1)CC2 ZINC000624075517 367745282 /nfs/dbraw/zinc/74/52/82/367745282.db2.gz ISLHROZJMXUHKB-LBPRGKRZSA-N 2 2 273.340 0.767 20 0 CCADLP C[NH+](C)C1CCC(NC(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000624229831 367796335 /nfs/dbraw/zinc/79/63/35/367796335.db2.gz FBXAFPUIIYODBN-JXQTWKCFSA-N 2 2 298.431 0.489 20 0 CCADLP C[NH+](C)C1CCC(NC(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000624229831 367796340 /nfs/dbraw/zinc/79/63/40/367796340.db2.gz FBXAFPUIIYODBN-JXQTWKCFSA-N 2 2 298.431 0.489 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC[C@@H]1CCCC[NH+](C)C1 ZINC000624609116 367928142 /nfs/dbraw/zinc/92/81/42/367928142.db2.gz ORBJYEKTCTYTNX-UONOGXRCSA-N 2 2 298.431 0.348 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC[C@@H]1CCCC[NH+](C)C1 ZINC000624609116 367928145 /nfs/dbraw/zinc/92/81/45/367928145.db2.gz ORBJYEKTCTYTNX-UONOGXRCSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH+]1CCOC[C@H]1CNC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000624609116 367928148 /nfs/dbraw/zinc/92/81/48/367928148.db2.gz ORBJYEKTCTYTNX-UONOGXRCSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH+]1CCOC[C@H]1CNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624609116 367928150 /nfs/dbraw/zinc/92/81/50/367928150.db2.gz ORBJYEKTCTYTNX-UONOGXRCSA-N 2 2 298.431 0.348 20 0 CCADLP O[C@H]1CC[N@H+](CCNc2cc[nH+]c(N3CCCCC3)n2)C1 ZINC000624774049 367988583 /nfs/dbraw/zinc/98/85/83/367988583.db2.gz MZUVXVDEVCTQEI-ZDUSSCGKSA-N 2 2 291.399 0.367 20 0 CCADLP O[C@H]1CC[N@@H+](CCNc2cc[nH+]c(N3CCCCC3)n2)C1 ZINC000624774049 367988591 /nfs/dbraw/zinc/98/85/91/367988591.db2.gz MZUVXVDEVCTQEI-ZDUSSCGKSA-N 2 2 291.399 0.367 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656200116 412763462 /nfs/dbraw/zinc/76/34/62/412763462.db2.gz JVJTZPNJDOJTPH-SUJAAXHWSA-N 2 2 299.459 0.841 20 0 CCADLP CO[C@@H](C[NH+]1CCC([NH+]2CCOCC2)CC1)[C@H]1CCOC1 ZINC000625543978 368237714 /nfs/dbraw/zinc/23/77/14/368237714.db2.gz IWQOBGQIGLDPFQ-HOCLYGCPSA-N 2 2 298.427 0.835 20 0 CCADLP Cn1c2ccccc2[nH+]c1N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000566489348 291417290 /nfs/dbraw/zinc/41/72/90/291417290.db2.gz KPXWAHPVXKPYIK-WDEREUQCSA-N 2 2 285.351 0.322 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000625747226 368318818 /nfs/dbraw/zinc/31/88/18/368318818.db2.gz AYFLWANUYOPOOO-LBPRGKRZSA-N 2 2 280.372 0.276 20 0 CCADLP [NH3+]C1(CNC(=O)Nc2ccc3[nH+]ccn3c2)CCOCC1 ZINC000625862702 368348523 /nfs/dbraw/zinc/34/85/23/368348523.db2.gz PDGRYFZONJLCFF-UHFFFAOYSA-N 2 2 289.339 0.964 20 0 CCADLP Cc1cc(CNC(=O)[C@H]2CSC[NH2+]2)cc(C)[nH+]1 ZINC000335494707 212172407 /nfs/dbraw/zinc/17/24/07/212172407.db2.gz JFTGBOHAZPLDPV-LLVKDONJSA-N 2 2 251.355 0.977 20 0 CCADLP Cc1cc(NC(=O)NCC[N@@H+]2CC[C@H](O)C2)c(C)c[nH+]1 ZINC000626469739 368556221 /nfs/dbraw/zinc/55/62/21/368556221.db2.gz LYRAPQYQYGYWDJ-LBPRGKRZSA-N 2 2 278.356 0.308 20 0 CCADLP Cc1cc(NC(=O)NCC[N@H+]2CC[C@H](O)C2)c(C)c[nH+]1 ZINC000626469739 368556226 /nfs/dbraw/zinc/55/62/26/368556226.db2.gz LYRAPQYQYGYWDJ-LBPRGKRZSA-N 2 2 278.356 0.308 20 0 CCADLP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@H]1CCC[NH2+]1 ZINC000422816866 296125089 /nfs/dbraw/zinc/12/50/89/296125089.db2.gz GHBNJLKQCDGYKO-UKRRQHHQSA-N 3 2 268.449 0.743 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000626940189 368690818 /nfs/dbraw/zinc/69/08/18/368690818.db2.gz UJTPJWAGQZOUEH-SDDRHHMPSA-N 2 2 265.361 0.711 20 0 CCADLP C[C@H]1CC[C@@H](NC(=O)NCCn2cc[nH+]c2)C[NH2+]1 ZINC000626922565 368679484 /nfs/dbraw/zinc/67/94/84/368679484.db2.gz ADLBRLVAZFHERC-WDEREUQCSA-N 2 2 251.334 0.323 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)NCCOCCC[NH3+] ZINC000626934936 368686067 /nfs/dbraw/zinc/68/60/67/368686067.db2.gz RSTSCKNLQMPBMB-UHFFFAOYSA-N 2 2 295.387 0.312 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000330606260 203030865 /nfs/dbraw/zinc/03/08/65/203030865.db2.gz ZXMZOIUOQWYWCV-LBPRGKRZSA-N 2 2 282.388 0.587 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000330606260 203030867 /nfs/dbraw/zinc/03/08/67/203030867.db2.gz ZXMZOIUOQWYWCV-LBPRGKRZSA-N 2 2 282.388 0.587 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000627058397 368762237 /nfs/dbraw/zinc/76/22/37/368762237.db2.gz WNNMYCZJCFXCNJ-GASCZTMLSA-N 2 2 291.399 0.604 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627052024 368757406 /nfs/dbraw/zinc/75/74/06/368757406.db2.gz JMTCXSZMQKNBRB-NXEZZACHSA-N 2 2 251.334 0.625 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000627118395 368810599 /nfs/dbraw/zinc/81/05/99/368810599.db2.gz ZSTZMPALFAIZTI-OUAUKWLOSA-N 2 2 265.361 0.921 20 0 CCADLP Cc1cc(CNC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)cc(C)[nH+]1 ZINC000627421408 368994652 /nfs/dbraw/zinc/99/46/52/368994652.db2.gz JELSTCWRSOEHBX-WCQYABFASA-N 2 2 290.367 0.181 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)Cc3cn4ccccc4[nH+]3)C[C@H]21 ZINC000627647047 369063381 /nfs/dbraw/zinc/06/33/81/369063381.db2.gz LVJQIRVHZQZOMK-VIKVFOODSA-N 2 2 284.363 0.895 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@H]21 ZINC000627656011 369069251 /nfs/dbraw/zinc/06/92/51/369069251.db2.gz PRYMXZKRGHKEDX-ZZVYKPCYSA-N 2 2 274.368 0.464 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627656258 369069685 /nfs/dbraw/zinc/06/96/85/369069685.db2.gz ZSQAZPSEYSOMCX-FTYKPCCVSA-N 2 2 262.357 0.607 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627656258 369069687 /nfs/dbraw/zinc/06/96/87/369069687.db2.gz ZSQAZPSEYSOMCX-FTYKPCCVSA-N 2 2 262.357 0.607 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCCF)CC2)C1 ZINC000627958921 369146860 /nfs/dbraw/zinc/14/68/60/369146860.db2.gz OJMDGAQGQBLIIF-CYBMUJFWSA-N 2 2 287.379 0.211 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCCF)CC2)C1 ZINC000627958921 369146864 /nfs/dbraw/zinc/14/68/64/369146864.db2.gz OJMDGAQGQBLIIF-CYBMUJFWSA-N 2 2 287.379 0.211 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[NH+](CCCF)CC1 ZINC000627961108 369149178 /nfs/dbraw/zinc/14/91/78/369149178.db2.gz GUDQTGMRUGKRRS-UHFFFAOYSA-N 2 2 268.336 0.846 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnn(C2CC2)c1 ZINC000628060964 369172891 /nfs/dbraw/zinc/17/28/91/369172891.db2.gz AKNTUDRADVGCTD-UHFFFAOYSA-N 2 2 293.415 0.831 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnn(C2CC2)c1 ZINC000628060964 369172895 /nfs/dbraw/zinc/17/28/95/369172895.db2.gz AKNTUDRADVGCTD-UHFFFAOYSA-N 2 2 293.415 0.831 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cnc(C3CC3)o2)C1 ZINC000628239545 369222141 /nfs/dbraw/zinc/22/21/41/369222141.db2.gz VNQCBQOIIFOMIP-ZDUSSCGKSA-N 2 2 251.330 0.708 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cnc(C3CC3)o2)C1 ZINC000628239545 369222148 /nfs/dbraw/zinc/22/21/48/369222148.db2.gz VNQCBQOIIFOMIP-ZDUSSCGKSA-N 2 2 251.330 0.708 20 0 CCADLP CC1CC[NH+](CC(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000628919864 369464465 /nfs/dbraw/zinc/46/44/65/369464465.db2.gz SXCDFGYRDQNIJE-CYBMUJFWSA-N 2 2 269.389 0.165 20 0 CCADLP CC1CC[NH+](CC(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000628919864 369464470 /nfs/dbraw/zinc/46/44/70/369464470.db2.gz SXCDFGYRDQNIJE-CYBMUJFWSA-N 2 2 269.389 0.165 20 0 CCADLP C[NH+](C)Cc1ccsc1C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629173620 369552870 /nfs/dbraw/zinc/55/28/70/369552870.db2.gz RDUVUWHKWQANTP-GFCCVEGCSA-N 2 2 297.424 0.606 20 0 CCADLP C[NH+](C)Cc1ccsc1C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000629173620 369552879 /nfs/dbraw/zinc/55/28/79/369552879.db2.gz RDUVUWHKWQANTP-GFCCVEGCSA-N 2 2 297.424 0.606 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)CC[C@H]1C(F)(F)F ZINC000629561815 369710419 /nfs/dbraw/zinc/71/04/19/369710419.db2.gz JSOCFCOLAOCKMR-HLTSFMKQSA-N 2 2 265.279 0.334 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCNC2=O)CC[C@H]1C(F)(F)F ZINC000629561815 369710423 /nfs/dbraw/zinc/71/04/23/369710423.db2.gz JSOCFCOLAOCKMR-HLTSFMKQSA-N 2 2 265.279 0.334 20 0 CCADLP C[NH2+]CCOCC[N@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000629570215 369713428 /nfs/dbraw/zinc/71/34/28/369713428.db2.gz AGIAJWSIOKDIBP-SNVBAGLBSA-N 2 2 272.349 0.445 20 0 CCADLP C[NH2+]CCOCC[N@@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000629570215 369713431 /nfs/dbraw/zinc/71/34/31/369713431.db2.gz AGIAJWSIOKDIBP-SNVBAGLBSA-N 2 2 272.349 0.445 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCN(C)CC(F)F ZINC000629555883 369705056 /nfs/dbraw/zinc/70/50/56/369705056.db2.gz HTSJUAFPTVMKQX-GHMZBOCLSA-N 2 2 265.348 0.540 20 0 CCADLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629556943 369706220 /nfs/dbraw/zinc/70/62/20/369706220.db2.gz SDGWTPOZXOHRQM-ZFWWWQNUSA-N 3 2 280.416 0.874 20 0 CCADLP COCCC[NH+]1CCC([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000629558768 369708536 /nfs/dbraw/zinc/70/85/36/369708536.db2.gz HAINDTLVZDYFHL-INIZCTEOSA-N 3 2 299.459 0.534 20 0 CCADLP CCC1([NH+]2CCOCC2)CC[NH+](CCOCC[NH3+])CC1 ZINC000629584141 369728378 /nfs/dbraw/zinc/72/83/78/369728378.db2.gz PDYQVFGVNSDCOW-UHFFFAOYSA-N 3 2 285.432 0.539 20 0 CCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@H]1CCCS(=O)(=O)C1)C2 ZINC000629592378 369732267 /nfs/dbraw/zinc/73/22/67/369732267.db2.gz BGFZPBLOHXMCSN-MCIONIFRSA-N 2 2 286.441 0.743 20 0 CCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@H]1CCCS(=O)(=O)C1)C2 ZINC000629592378 369732275 /nfs/dbraw/zinc/73/22/75/369732275.db2.gz BGFZPBLOHXMCSN-MCIONIFRSA-N 2 2 286.441 0.743 20 0 CCADLP C[NH2+]C1(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CCC1 ZINC000630001972 369884379 /nfs/dbraw/zinc/88/43/79/369884379.db2.gz NOXZPPYRHGGMEB-NSHDSACASA-N 2 2 262.357 0.704 20 0 CCADLP C[NH+](C)C1CC[NH+](C[C@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000630034612 369905662 /nfs/dbraw/zinc/90/56/62/369905662.db2.gz BCPATMUPYFUGKR-HUUCEWRRSA-N 2 2 270.417 0.924 20 0 CCADLP Cn1c2cc(F)ccc2[nH+]c1NC[C@H]1COCC[NH2+]1 ZINC000630532743 370153092 /nfs/dbraw/zinc/15/30/92/370153092.db2.gz MJUJJQYWLJCSCM-JTQLQIEISA-N 2 2 264.304 0.535 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCn1cc(C2(F)COC2)nn1 ZINC000630612576 370209918 /nfs/dbraw/zinc/20/99/18/370209918.db2.gz WTXMDRMMWPVYOZ-UHFFFAOYSA-N 2 2 285.367 0.357 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCn1cc(C2(F)COC2)nn1 ZINC000630612576 370209921 /nfs/dbraw/zinc/20/99/21/370209921.db2.gz WTXMDRMMWPVYOZ-UHFFFAOYSA-N 2 2 285.367 0.357 20 0 CCADLP COC[C@H]([NH3+])Cc1cn(Cc2cn3ccccc3[nH+]2)nn1 ZINC000630601986 370201299 /nfs/dbraw/zinc/20/12/99/370201299.db2.gz QMPAOKLLFGPFQK-LLVKDONJSA-N 2 2 286.339 0.490 20 0 CCADLP Cc1nc(N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)nc(N)[nH+]1 ZINC000631072335 370376634 /nfs/dbraw/zinc/37/66/34/370376634.db2.gz TXWRHYRZIORCOW-GMTAPVOTSA-N 2 2 278.404 0.793 20 0 CCADLP Cc1nc(NCC[N@@H+](C)Cc2ccc(F)cc2)nc(N)[nH+]1 ZINC000631147262 370400292 /nfs/dbraw/zinc/40/02/92/370400292.db2.gz KFFGJGXDBZDMLM-UHFFFAOYSA-N 2 2 290.346 0.697 20 0 CCADLP Cc1nc(NCC[N@H+](C)Cc2ccc(F)cc2)nc(N)[nH+]1 ZINC000631147262 370400297 /nfs/dbraw/zinc/40/02/97/370400297.db2.gz KFFGJGXDBZDMLM-UHFFFAOYSA-N 2 2 290.346 0.697 20 0 CCADLP Cc1nc(NC[C@H]2CC[N@@H+](CC(C)C)C2)nc(N)[nH+]1 ZINC000631162315 370407748 /nfs/dbraw/zinc/40/77/48/370407748.db2.gz VFLFUCRNOUERQM-LLVKDONJSA-N 2 2 264.377 0.404 20 0 CCADLP Cc1nc(NC[C@H]2CC[N@H+](CC(C)C)C2)nc(N)[nH+]1 ZINC000631162315 370407755 /nfs/dbraw/zinc/40/77/55/370407755.db2.gz VFLFUCRNOUERQM-LLVKDONJSA-N 2 2 264.377 0.404 20 0 CCADLP Cc1nc(N)nc(NC[C@H]2CC[N@@H+](CC(C)C)C2)[nH+]1 ZINC000631162315 370407759 /nfs/dbraw/zinc/40/77/59/370407759.db2.gz VFLFUCRNOUERQM-LLVKDONJSA-N 2 2 264.377 0.404 20 0 CCADLP Cc1nc(N)nc(NC[C@H]2CC[N@H+](CC(C)C)C2)[nH+]1 ZINC000631162315 370407764 /nfs/dbraw/zinc/40/77/64/370407764.db2.gz VFLFUCRNOUERQM-LLVKDONJSA-N 2 2 264.377 0.404 20 0 CCADLP Cc1nc(NC[C@H]2CC[N@@H+]2Cc2ccccc2)nc(N)[nH+]1 ZINC000631379629 370507256 /nfs/dbraw/zinc/50/72/56/370507256.db2.gz FZPBGUDJLCFAEK-CYBMUJFWSA-N 2 2 284.367 0.701 20 0 CCADLP Cc1nc(NC[C@H]2CC[N@H+]2Cc2ccccc2)nc(N)[nH+]1 ZINC000631379629 370507262 /nfs/dbraw/zinc/50/72/62/370507262.db2.gz FZPBGUDJLCFAEK-CYBMUJFWSA-N 2 2 284.367 0.701 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)S(=O)(=O)CCC[NH+](C)C ZINC000632543384 371130807 /nfs/dbraw/zinc/13/08/07/371130807.db2.gz AJMJAGKFPLBNMC-UHFFFAOYSA-N 2 2 260.363 0.123 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)S(=O)(=O)CCC[NH+](C)C ZINC000632543384 371130813 /nfs/dbraw/zinc/13/08/13/371130813.db2.gz AJMJAGKFPLBNMC-UHFFFAOYSA-N 2 2 260.363 0.123 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000331616327 204015061 /nfs/dbraw/zinc/01/50/61/204015061.db2.gz KOFSTEHEBGPOOX-OAHLLOKOSA-N 2 2 296.415 0.640 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000331616327 204015066 /nfs/dbraw/zinc/01/50/66/204015066.db2.gz KOFSTEHEBGPOOX-OAHLLOKOSA-N 2 2 296.415 0.640 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000331616327 204015069 /nfs/dbraw/zinc/01/50/69/204015069.db2.gz KOFSTEHEBGPOOX-OAHLLOKOSA-N 2 2 296.415 0.640 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000331616327 204015072 /nfs/dbraw/zinc/01/50/72/204015072.db2.gz KOFSTEHEBGPOOX-OAHLLOKOSA-N 2 2 296.415 0.640 20 0 CCADLP Cc1ccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)c(C)[nH+]1 ZINC000633025354 371364452 /nfs/dbraw/zinc/36/44/52/371364452.db2.gz RAKNVQGXHHVKDR-BXKDBHETSA-N 2 2 290.367 0.690 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000633285204 371468648 /nfs/dbraw/zinc/46/86/48/371468648.db2.gz KXSNCRJNCCJECY-UHFFFAOYSA-N 2 2 290.371 0.591 20 0 CCADLP CN(C)c1ccc(CNC(=O)CCCC[NH3+])c[nH+]1 ZINC000574396514 335016056 /nfs/dbraw/zinc/01/60/56/335016056.db2.gz WXDVLUUVJFFFLD-UHFFFAOYSA-N 2 2 250.346 0.893 20 0 CCADLP C[C@H](C(=O)N[C@H]1CCn2cc[nH+]c2C1)[NH+]1CC(C)C1 ZINC000567913313 291535763 /nfs/dbraw/zinc/53/57/63/291535763.db2.gz AZFGLQVWARNRQW-NEPJUHHUSA-N 2 2 262.357 0.654 20 0 CCADLP CC[NH+]1CCC(n2[nH]c3c(c2=O)C[NH2+]CC3)CC1 ZINC000634602308 372092410 /nfs/dbraw/zinc/09/24/10/372092410.db2.gz MUZADJOCGGWXMM-LLVKDONJSA-N 2 2 250.346 0.278 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000634699624 372146148 /nfs/dbraw/zinc/14/61/48/372146148.db2.gz MUOSDHWQIDXQKI-KWCYVHTRSA-N 2 2 267.373 0.773 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](O)C[C@](C)(O)C2CC2)C1 ZINC000634708584 372153463 /nfs/dbraw/zinc/15/34/63/372153463.db2.gz WVOXJJSZGVELMJ-MYPMTAMASA-N 2 2 270.417 0.828 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](O)C[C@](C)(O)C2CC2)C1 ZINC000634708584 372153469 /nfs/dbraw/zinc/15/34/69/372153469.db2.gz WVOXJJSZGVELMJ-MYPMTAMASA-N 2 2 270.417 0.828 20 0 CCADLP CCc1nc(N2CC[N@H+](C)C[C@H]2CO)cc(C)[nH+]1 ZINC000634801526 372242933 /nfs/dbraw/zinc/24/29/33/372242933.db2.gz BCOKTXOBXBECKJ-NSHDSACASA-N 2 2 250.346 0.460 20 0 CCADLP CCc1nc(N2CC[N@@H+](C)C[C@H]2CO)cc(C)[nH+]1 ZINC000634801526 372242937 /nfs/dbraw/zinc/24/29/37/372242937.db2.gz BCOKTXOBXBECKJ-NSHDSACASA-N 2 2 250.346 0.460 20 0 CCADLP CC1(O)CCN(c2cc(NC3C[NH2+]C3)nc[nH+]2)CC1 ZINC000634809644 372252434 /nfs/dbraw/zinc/25/24/34/372252434.db2.gz XOJLSCMBIBIUHL-UHFFFAOYSA-N 2 2 263.345 0.212 20 0 CCADLP C[C@@H](O)CNc1cc(N[C@H]2CC[C@H]([NH3+])CC2)nc[nH+]1 ZINC000634813708 372258622 /nfs/dbraw/zinc/25/86/22/372258622.db2.gz VCBAIVODWJZSPF-GMTAPVOTSA-N 2 2 265.361 0.951 20 0 CCADLP C[C@@H](O)CNc1cc(N[C@H]2CC[C@H]([NH3+])CC2)[nH+]cn1 ZINC000634813708 372258629 /nfs/dbraw/zinc/25/86/29/372258629.db2.gz VCBAIVODWJZSPF-GMTAPVOTSA-N 2 2 265.361 0.951 20 0 CCADLP [NH3+][C@H]1CC[C@H](Nc2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000634813571 372258752 /nfs/dbraw/zinc/25/87/52/372258752.db2.gz PUJCTQQLGGCINO-HAQNSBGRSA-N 2 2 277.372 0.995 20 0 CCADLP [NH3+][C@H]1CC[C@H](Nc2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000634813571 372258758 /nfs/dbraw/zinc/25/87/58/372258758.db2.gz PUJCTQQLGGCINO-HAQNSBGRSA-N 2 2 277.372 0.995 20 0 CCADLP CC1CC[NH+](CC[NH2+][C@H]2CCNC(=O)CC2)CC1 ZINC000634952578 372308832 /nfs/dbraw/zinc/30/88/32/372308832.db2.gz CWSSQWZOOJAIKU-CYBMUJFWSA-N 2 2 253.390 0.977 20 0 CCADLP COc1ccc(C[NH+]2CCC([NH2+]CCO)CC2)cc1O ZINC000635001220 372338073 /nfs/dbraw/zinc/33/80/73/372338073.db2.gz KTMXJVFQZJVUKA-UHFFFAOYSA-N 2 2 280.368 0.947 20 0 CCADLP OCC[NH2+]C1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000635001335 372338521 /nfs/dbraw/zinc/33/85/21/372338521.db2.gz PDHYBWHBAPQAME-UHFFFAOYSA-N 2 2 278.352 0.962 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H](n1cncn1)C(F)(F)F ZINC000635023864 372351782 /nfs/dbraw/zinc/35/17/82/372351782.db2.gz SWWIJEKRESTLSC-HRDYMLBCSA-N 2 2 263.267 0.851 20 0 CCADLP C[N@@H+]1CC[C@H](CC(=O)NCCCn2cc[nH+]c2)C1 ZINC000635067423 372363891 /nfs/dbraw/zinc/36/38/91/372363891.db2.gz SDPBNUMDMSCYER-GFCCVEGCSA-N 2 2 250.346 0.731 20 0 CCADLP C[N@H+]1CC[C@H](CC(=O)NCCCn2cc[nH+]c2)C1 ZINC000635067423 372363898 /nfs/dbraw/zinc/36/38/98/372363898.db2.gz SDPBNUMDMSCYER-GFCCVEGCSA-N 2 2 250.346 0.731 20 0 CCADLP C[C@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1)[NH+](C)C ZINC000635346626 372468849 /nfs/dbraw/zinc/46/88/49/372468849.db2.gz WJSVFKNQKZUDSS-GFCCVEGCSA-N 2 2 291.399 0.722 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC000635501336 372565032 /nfs/dbraw/zinc/56/50/32/372565032.db2.gz OOAUHQGQGGXRFV-AWEZNQCLSA-N 2 2 295.427 0.699 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC000635501336 372565037 /nfs/dbraw/zinc/56/50/37/372565037.db2.gz OOAUHQGQGGXRFV-AWEZNQCLSA-N 2 2 295.427 0.699 20 0 CCADLP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000635505886 372570857 /nfs/dbraw/zinc/57/08/57/372570857.db2.gz HRLROBAAXIZEFH-CHWSQXEVSA-N 2 2 283.416 0.554 20 0 CCADLP COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635531623 372594209 /nfs/dbraw/zinc/59/42/09/372594209.db2.gz UYLVUMZZMMIWRZ-YNEHKIRRSA-N 2 2 292.383 0.740 20 0 CCADLP COCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635531623 372594215 /nfs/dbraw/zinc/59/42/15/372594215.db2.gz UYLVUMZZMMIWRZ-YNEHKIRRSA-N 2 2 292.383 0.740 20 0 CCADLP COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635531623 372594220 /nfs/dbraw/zinc/59/42/20/372594220.db2.gz UYLVUMZZMMIWRZ-YNEHKIRRSA-N 2 2 292.383 0.740 20 0 CCADLP COCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635531623 372594229 /nfs/dbraw/zinc/59/42/29/372594229.db2.gz UYLVUMZZMMIWRZ-YNEHKIRRSA-N 2 2 292.383 0.740 20 0 CCADLP CCc1c[nH]c(CC(=O)NCCCC[NH+](C)C)[nH+]1 ZINC000635560809 372633915 /nfs/dbraw/zinc/63/39/15/372633915.db2.gz NBYOCSADYNZMCA-UHFFFAOYSA-N 2 2 252.362 0.973 20 0 CCADLP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000333086622 205019192 /nfs/dbraw/zinc/01/91/92/205019192.db2.gz BRYIXDJTBBNMML-KBPBESRZSA-N 2 2 283.416 0.746 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000333136997 205062126 /nfs/dbraw/zinc/06/21/26/205062126.db2.gz CNAUABPMVUNAFT-ZDUSSCGKSA-N 2 2 298.431 0.396 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000333136997 205062131 /nfs/dbraw/zinc/06/21/31/205062131.db2.gz CNAUABPMVUNAFT-ZDUSSCGKSA-N 2 2 298.431 0.396 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CCC([N@H+](C)CCO)CC2)[nH+]1 ZINC000635741133 372842009 /nfs/dbraw/zinc/84/20/09/372842009.db2.gz ZNBOAIVIFYPZFA-UHFFFAOYSA-N 2 2 294.399 0.430 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CCC([N@@H+](C)CCO)CC2)[nH+]1 ZINC000635741133 372842021 /nfs/dbraw/zinc/84/20/21/372842021.db2.gz ZNBOAIVIFYPZFA-UHFFFAOYSA-N 2 2 294.399 0.430 20 0 CCADLP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCc1cn(C)c[nH+]1 ZINC000333259218 205161788 /nfs/dbraw/zinc/16/17/88/205161788.db2.gz CGPCBTFJTOYULJ-GXTWGEPZSA-N 2 2 291.399 0.841 20 0 CCADLP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCc1cn(C)c[nH+]1 ZINC000333259218 205161791 /nfs/dbraw/zinc/16/17/91/205161791.db2.gz CGPCBTFJTOYULJ-GXTWGEPZSA-N 2 2 291.399 0.841 20 0 CCADLP C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O)[C@H]1CCC[NH2+]1 ZINC000333309321 205206231 /nfs/dbraw/zinc/20/62/31/205206231.db2.gz RKCWBVUJLDTLRL-YUTCNCBUSA-N 2 2 291.399 0.646 20 0 CCADLP CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000333311556 205207461 /nfs/dbraw/zinc/20/74/61/205207461.db2.gz RWSDCIRFNOJDTH-XQQFMLRXSA-N 2 2 268.405 0.910 20 0 CCADLP CCNC(=O)N1CC[C@H]([NH2+][C@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000333311552 205209101 /nfs/dbraw/zinc/20/91/01/205209101.db2.gz RWSDCIRFNOJDTH-FRRDWIJNSA-N 2 2 268.405 0.910 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000635831268 372969833 /nfs/dbraw/zinc/96/98/33/372969833.db2.gz GLUKHIYEHHRUHU-ZDUSSCGKSA-N 2 2 283.416 0.386 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000635831268 372969839 /nfs/dbraw/zinc/96/98/39/372969839.db2.gz GLUKHIYEHHRUHU-ZDUSSCGKSA-N 2 2 283.416 0.386 20 0 CCADLP C[NH+]1CCCC[C@H]1C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000635831268 372969844 /nfs/dbraw/zinc/96/98/44/372969844.db2.gz GLUKHIYEHHRUHU-ZDUSSCGKSA-N 2 2 283.416 0.386 20 0 CCADLP C[NH+]1CCCC[C@H]1C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000635831268 372969850 /nfs/dbraw/zinc/96/98/50/372969850.db2.gz GLUKHIYEHHRUHU-ZDUSSCGKSA-N 2 2 283.416 0.386 20 0 CCADLP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000635992869 373219681 /nfs/dbraw/zinc/21/96/81/373219681.db2.gz ZKUKPHWATOSINA-MELADBBJSA-N 2 2 281.400 0.308 20 0 CCADLP C[N@H+]1CC[C@@H](CC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000635992869 373219686 /nfs/dbraw/zinc/21/96/86/373219686.db2.gz ZKUKPHWATOSINA-MELADBBJSA-N 2 2 281.400 0.308 20 0 CCADLP C[NH+]1CC[C@@H](CC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000635992869 373219689 /nfs/dbraw/zinc/21/96/89/373219689.db2.gz ZKUKPHWATOSINA-MELADBBJSA-N 2 2 281.400 0.308 20 0 CCADLP C[NH+]1CC[C@@H](CC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000635992869 373219692 /nfs/dbraw/zinc/21/96/92/373219692.db2.gz ZKUKPHWATOSINA-MELADBBJSA-N 2 2 281.400 0.308 20 0 CCADLP C[N@@H+]1CC[C@H](CC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000635992868 373219705 /nfs/dbraw/zinc/21/97/05/373219705.db2.gz ZKUKPHWATOSINA-MCIONIFRSA-N 2 2 281.400 0.308 20 0 CCADLP C[N@H+]1CC[C@H](CC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000635992868 373219709 /nfs/dbraw/zinc/21/97/09/373219709.db2.gz ZKUKPHWATOSINA-MCIONIFRSA-N 2 2 281.400 0.308 20 0 CCADLP C[NH+]1CC[C@H](CC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000635992868 373219713 /nfs/dbraw/zinc/21/97/13/373219713.db2.gz ZKUKPHWATOSINA-MCIONIFRSA-N 2 2 281.400 0.308 20 0 CCADLP C[NH+]1CC[C@H](CC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000635992868 373219718 /nfs/dbraw/zinc/21/97/18/373219718.db2.gz ZKUKPHWATOSINA-MCIONIFRSA-N 2 2 281.400 0.308 20 0 CCADLP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)C1 ZINC000423085669 284381606 /nfs/dbraw/zinc/38/16/06/284381606.db2.gz LCQNMPUZFQTMJR-RVMXOQNASA-N 2 2 270.373 0.685 20 0 CCADLP c1c(C[NH+]2CCSCC2)nnn1[C@H]1CC[NH2+]C1 ZINC000656467370 412807390 /nfs/dbraw/zinc/80/73/90/412807390.db2.gz PWSCHKLJSXPEHA-NSHDSACASA-N 2 2 253.375 0.361 20 0 CCADLP C[C@H](C(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO)[NH+](C)C ZINC000636144322 373405193 /nfs/dbraw/zinc/40/51/93/373405193.db2.gz PXIOXRRWPGCALA-MNOVXSKESA-N 2 2 282.388 0.546 20 0 CCADLP CN(C[C@H]1C[N@H+](C)CCO1)C(=O)[C@H]1CC[NH+]1C1CCCC1 ZINC000636305785 373535084 /nfs/dbraw/zinc/53/50/84/373535084.db2.gz AIESEWRTRFJPGF-HUUCEWRRSA-N 2 2 295.427 0.792 20 0 CCADLP CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)[C@H]1CC[NH+]1C1CCCC1 ZINC000636305785 373535087 /nfs/dbraw/zinc/53/50/87/373535087.db2.gz AIESEWRTRFJPGF-HUUCEWRRSA-N 2 2 295.427 0.792 20 0 CCADLP CN(C[C@H]1C[NH+](C)CCO1)C(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000636305785 373535091 /nfs/dbraw/zinc/53/50/91/373535091.db2.gz AIESEWRTRFJPGF-HUUCEWRRSA-N 2 2 295.427 0.792 20 0 CCADLP CN(C[C@H]1C[NH+](C)CCO1)C(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000636305785 373535092 /nfs/dbraw/zinc/53/50/92/373535092.db2.gz AIESEWRTRFJPGF-HUUCEWRRSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H](CNC(=O)N[C@H]1Cc2c[nH+]cn2C1)C[NH+]1CCCC1 ZINC000636605059 373669088 /nfs/dbraw/zinc/66/90/88/373669088.db2.gz GCPSKLZIXRHSGS-STQMWFEESA-N 2 2 291.399 0.839 20 0 CCADLP Cc1[nH+]cc(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)n1C ZINC000568269768 291577640 /nfs/dbraw/zinc/57/76/40/291577640.db2.gz WZRMNJXHFYEZCW-ZDUSSCGKSA-N 3 2 279.432 0.702 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000636909724 373816231 /nfs/dbraw/zinc/81/62/31/373816231.db2.gz XSQSBKXHDQHAJQ-MELADBBJSA-N 2 2 283.416 0.648 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000636909724 373816240 /nfs/dbraw/zinc/81/62/40/373816240.db2.gz XSQSBKXHDQHAJQ-MELADBBJSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000636909724 373816242 /nfs/dbraw/zinc/81/62/42/373816242.db2.gz XSQSBKXHDQHAJQ-MELADBBJSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000636909724 373816245 /nfs/dbraw/zinc/81/62/45/373816245.db2.gz XSQSBKXHDQHAJQ-MELADBBJSA-N 2 2 283.416 0.648 20 0 CCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000636921035 373822733 /nfs/dbraw/zinc/82/27/33/373822733.db2.gz FQXNVMZICGDILO-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000636921035 373822740 /nfs/dbraw/zinc/82/27/40/373822740.db2.gz FQXNVMZICGDILO-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@](O)(C[NH2+]C[C@@H](O)C[NH+]1CCCCC1)C(F)(F)F ZINC000574453639 335020904 /nfs/dbraw/zinc/02/09/04/335020904.db2.gz VXKIOUWMQUAVIM-GHMZBOCLSA-N 2 2 284.322 0.736 20 0 CCADLP Cc1cccc2ncc(CN3CC[N@@H+](C)C[C@@H]3C[NH3+])n21 ZINC000574453653 335021046 /nfs/dbraw/zinc/02/10/46/335021046.db2.gz WDZHNRQYZIXMHN-ZDUSSCGKSA-N 2 2 273.384 0.717 20 0 CCADLP Cc1cccc2ncc(CN3CC[N@H+](C)C[C@@H]3C[NH3+])n21 ZINC000574453653 335021048 /nfs/dbraw/zinc/02/10/48/335021048.db2.gz WDZHNRQYZIXMHN-ZDUSSCGKSA-N 2 2 273.384 0.717 20 0 CCADLP CN(CC[NH+]1CCCCC1)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637440998 374156398 /nfs/dbraw/zinc/15/63/98/374156398.db2.gz WVAQHNRKIGJEQC-CQSZACIVSA-N 2 2 298.431 0.444 20 0 CCADLP CN(CC[NH+]1CCCCC1)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637440998 374156405 /nfs/dbraw/zinc/15/64/05/374156405.db2.gz WVAQHNRKIGJEQC-CQSZACIVSA-N 2 2 298.431 0.444 20 0 CCADLP C[NH+]1CCC(C)(CNC(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000637444717 374169650 /nfs/dbraw/zinc/16/96/50/374169650.db2.gz UWIJFIRGWGIGKV-ZDUSSCGKSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH+]1CCC(C)(CNC(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000637444717 374169662 /nfs/dbraw/zinc/16/96/62/374169662.db2.gz UWIJFIRGWGIGKV-ZDUSSCGKSA-N 2 2 298.431 0.348 20 0 CCADLP CCN(C(=O)NCC[NH+]1CCOCC1)[C@@H]1CC[N@H+](C)C1 ZINC000656540103 412819875 /nfs/dbraw/zinc/81/98/75/412819875.db2.gz DBCMLVSQRLLMKV-CYBMUJFWSA-N 2 2 284.404 0.054 20 0 CCADLP CCN(C(=O)NCC[NH+]1CCOCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000656540103 412819878 /nfs/dbraw/zinc/81/98/78/412819878.db2.gz DBCMLVSQRLLMKV-CYBMUJFWSA-N 2 2 284.404 0.054 20 0 CCADLP C[NH2+]Cc1ccccc1NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637808326 374339609 /nfs/dbraw/zinc/33/96/09/374339609.db2.gz ZUYJOVURGJMONY-LLVKDONJSA-N 2 2 290.367 0.165 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NCC[C@H]1CC[NH2+]C1)CC2 ZINC000637832113 374375036 /nfs/dbraw/zinc/37/50/36/374375036.db2.gz GCBTXRWTBXQIRY-CHWSQXEVSA-N 2 2 276.384 0.870 20 0 CCADLP CO[C@H]1C[NH2+][C@](C)(C(=O)Nc2ccc(N)[nH+]c2)C1 ZINC000637827164 374367657 /nfs/dbraw/zinc/36/76/57/374367657.db2.gz CTURCIYWGNMRFX-SKDRFNHKSA-N 2 2 250.302 0.200 20 0 CCADLP CCc1c[nH]c(CC(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)[nH+]1 ZINC000637839037 374386816 /nfs/dbraw/zinc/38/68/16/374386816.db2.gz FXKUXLVYYLMUMB-NXEZZACHSA-N 2 2 250.346 0.723 20 0 CCADLP C[N@@H+]1CCN(C(=O)c2cc3c([nH]2)CCCC3)[C@H](C[NH3+])C1 ZINC000637864152 374425032 /nfs/dbraw/zinc/42/50/32/374425032.db2.gz NOPSRXGBYWBIRP-GFCCVEGCSA-N 2 2 276.384 0.608 20 0 CCADLP C[N@H+]1CCN(C(=O)c2cc3c([nH]2)CCCC3)[C@H](C[NH3+])C1 ZINC000637864152 374425038 /nfs/dbraw/zinc/42/50/38/374425038.db2.gz NOPSRXGBYWBIRP-GFCCVEGCSA-N 2 2 276.384 0.608 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)[nH+]1 ZINC000637866681 374431411 /nfs/dbraw/zinc/43/14/11/374431411.db2.gz PCPNJYQGOAEFOW-MWLCHTKSSA-N 2 2 266.345 0.089 20 0 CCADLP Nc1nc(N)c(CN2CCC([NH+]3CCCCC3)CC2)c[nH+]1 ZINC000637890833 374452526 /nfs/dbraw/zinc/45/25/26/374452526.db2.gz XIKNKKLIXPFGIO-UHFFFAOYSA-N 2 2 290.415 0.752 20 0 CCADLP Nc1nc(N)c(CN2CCC[C@@H]([NH+]3CCCC3)C2)c[nH+]1 ZINC000637951450 374501501 /nfs/dbraw/zinc/50/15/01/374501501.db2.gz MJHHJDIAJMRCFI-GFCCVEGCSA-N 2 2 276.388 0.362 20 0 CCADLP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000334183974 206158417 /nfs/dbraw/zinc/15/84/17/206158417.db2.gz FRTQFBJAJPRGHG-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP Nc1nc(N)c(CN2CC[C@@H]([NH+]3CCCCC3)C2)c[nH+]1 ZINC000638028026 374570466 /nfs/dbraw/zinc/57/04/66/374570466.db2.gz DWGHAYCPVGCTCH-GFCCVEGCSA-N 2 2 276.388 0.362 20 0 CCADLP COC[C@]1(C(=O)NCCCn2cc[nH+]c2)CCCC[NH2+]1 ZINC000638046181 374587491 /nfs/dbraw/zinc/58/74/91/374587491.db2.gz BOFMHLOMOBUNRO-AWEZNQCLSA-N 2 2 280.372 0.548 20 0 CCADLP Cc1ccn2cc(CNC(=O)[C@@]3(C)C[NH2+]CCO3)[nH+]c2c1 ZINC000638075987 374630937 /nfs/dbraw/zinc/63/09/37/374630937.db2.gz JFBFKJAUEWSKBK-OAHLLOKOSA-N 2 2 288.351 0.637 20 0 CCADLP CN(C)c1ccc(CNC(=O)c2cnc(C[NH3+])nc2)c[nH+]1 ZINC000638070173 374619541 /nfs/dbraw/zinc/61/95/41/374619541.db2.gz VYKPDAOFMWMHNN-UHFFFAOYSA-N 2 2 286.339 0.326 20 0 CCADLP COC[C@@]1(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CCCC[NH2+]1 ZINC000638072138 374624707 /nfs/dbraw/zinc/62/47/07/374624707.db2.gz CTZOKQVAYQGOAE-GXTWGEPZSA-N 2 2 280.372 0.547 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000638074702 374628692 /nfs/dbraw/zinc/62/86/92/374628692.db2.gz AEBDPFAUYMFWGF-CYBMUJFWSA-N 2 2 297.424 0.718 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000638074702 374628701 /nfs/dbraw/zinc/62/87/01/374628701.db2.gz AEBDPFAUYMFWGF-CYBMUJFWSA-N 2 2 297.424 0.718 20 0 CCADLP COC[C@@]1(C(=O)Nc2cc[nH+]cc2C)CCCC[NH2+]1 ZINC000638098548 374661413 /nfs/dbraw/zinc/66/14/13/374661413.db2.gz NTCHTUJXRQFANM-CQSZACIVSA-N 2 2 263.341 0.909 20 0 CCADLP C[C@@H]1C[C@@H](N(C)Cc2c[nH+]c(N)nc2N)CC[N@@H+]1C ZINC000638117463 374684957 /nfs/dbraw/zinc/68/49/57/374684957.db2.gz REQDQUYCTCPPQU-KOLCDFICSA-N 2 2 264.377 0.216 20 0 CCADLP C[C@@H]1C[C@@H](N(C)Cc2c[nH+]c(N)nc2N)CC[N@H+]1C ZINC000638117463 374684964 /nfs/dbraw/zinc/68/49/64/374684964.db2.gz REQDQUYCTCPPQU-KOLCDFICSA-N 2 2 264.377 0.216 20 0 CCADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc(N)nc2N)CC[N@@H+]1C ZINC000638117463 374684971 /nfs/dbraw/zinc/68/49/71/374684971.db2.gz REQDQUYCTCPPQU-KOLCDFICSA-N 2 2 264.377 0.216 20 0 CCADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cnc(N)nc2N)CC[N@H+]1C ZINC000638117463 374684974 /nfs/dbraw/zinc/68/49/74/374684974.db2.gz REQDQUYCTCPPQU-KOLCDFICSA-N 2 2 264.377 0.216 20 0 CCADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cnc(N)nc2N)CC[NH+]1C ZINC000638117463 374684978 /nfs/dbraw/zinc/68/49/78/374684978.db2.gz REQDQUYCTCPPQU-KOLCDFICSA-N 2 2 264.377 0.216 20 0 CCADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cnc(N)nc2N)CC[NH+]1C ZINC000638117463 374684981 /nfs/dbraw/zinc/68/49/81/374684981.db2.gz REQDQUYCTCPPQU-KOLCDFICSA-N 2 2 264.377 0.216 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@H](C)CC[NH3+])CC2 ZINC000638153123 374724056 /nfs/dbraw/zinc/72/40/56/374724056.db2.gz CEQBBADBYIBZMZ-ONGXEEELSA-N 2 2 250.346 0.607 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC[C@H]([NH3+])C1CC1)CC2 ZINC000638155311 374727108 /nfs/dbraw/zinc/72/71/08/374727108.db2.gz UMVPPABCBUPZCX-RYUDHWBXSA-N 2 2 262.357 0.607 20 0 CCADLP Cn1c2cc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)ccc2oc1=O ZINC000638185824 374771086 /nfs/dbraw/zinc/77/10/86/374771086.db2.gz CFOVIHPPDOBVHQ-RYUDHWBXSA-N 2 2 273.336 0.783 20 0 CCADLP Cn1nc2c(c1C[NH+]1C[C@@H]3C[NH2+]C[C@H]3C1)CCCC2 ZINC000638186383 374771093 /nfs/dbraw/zinc/77/10/93/374771093.db2.gz SCHFVRGEULWTMN-RYUDHWBXSA-N 2 2 260.385 0.950 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000638265983 374863922 /nfs/dbraw/zinc/86/39/22/374863922.db2.gz IFDWGENAESSBMK-DTWKUNHWSA-N 2 2 267.295 0.867 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000638265983 374863931 /nfs/dbraw/zinc/86/39/31/374863931.db2.gz IFDWGENAESSBMK-DTWKUNHWSA-N 2 2 267.295 0.867 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000638278855 374882992 /nfs/dbraw/zinc/88/29/92/374882992.db2.gz LJQKZOUJPBXGOF-KGLIPLIRSA-N 2 2 283.416 0.602 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000638278855 374882998 /nfs/dbraw/zinc/88/29/98/374882998.db2.gz LJQKZOUJPBXGOF-KGLIPLIRSA-N 2 2 283.416 0.602 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000638278857 374883739 /nfs/dbraw/zinc/88/37/39/374883739.db2.gz LJQKZOUJPBXGOF-ZIAGYGMSSA-N 2 2 283.416 0.602 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000638278857 374883741 /nfs/dbraw/zinc/88/37/41/374883741.db2.gz LJQKZOUJPBXGOF-ZIAGYGMSSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000638252506 374847401 /nfs/dbraw/zinc/84/74/01/374847401.db2.gz SNIPYKBXRSDPRY-GIPNMCIBSA-N 2 2 266.320 0.673 20 0 CCADLP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000638252506 374847406 /nfs/dbraw/zinc/84/74/06/374847406.db2.gz SNIPYKBXRSDPRY-GIPNMCIBSA-N 2 2 266.320 0.673 20 0 CCADLP CC(C)C[C@H](C(=O)N1CCC(O)(C[NH3+])CC1)n1cc[nH+]c1 ZINC000638354466 374950631 /nfs/dbraw/zinc/95/06/31/374950631.db2.gz NRVHVGQIVLIQSG-CYBMUJFWSA-N 2 2 294.399 0.783 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638299423 374905336 /nfs/dbraw/zinc/90/53/36/374905336.db2.gz COYGXCSDSDYACX-CQSZACIVSA-N 2 2 280.372 0.487 20 0 CCADLP CO[C@@H](C[NH2+]CC(=O)N1CC[NH+](C)CC1)C1CCCC1 ZINC000638439147 375041676 /nfs/dbraw/zinc/04/16/76/375041676.db2.gz BLQLODHOUZGINS-AWEZNQCLSA-N 2 2 283.416 0.555 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000638423381 375019741 /nfs/dbraw/zinc/01/97/41/375019741.db2.gz SUQSTRBITYNXNR-KOLCDFICSA-N 2 2 250.346 0.846 20 0 CCADLP Nc1ncc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(N)n1 ZINC000638376346 374971956 /nfs/dbraw/zinc/97/19/56/374971956.db2.gz JONPCAMOCYBOCA-GHMZBOCLSA-N 2 2 262.361 0.018 20 0 CCADLP Nc1ncc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(N)n1 ZINC000638376346 374971963 /nfs/dbraw/zinc/97/19/63/374971963.db2.gz JONPCAMOCYBOCA-GHMZBOCLSA-N 2 2 262.361 0.018 20 0 CCADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000638468867 375070609 /nfs/dbraw/zinc/07/06/09/375070609.db2.gz WVYXXLMCVRUGED-SECBINFHSA-N 2 2 291.442 0.825 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@H]1CCCN1CC(F)F ZINC000638517315 375109628 /nfs/dbraw/zinc/10/96/28/375109628.db2.gz STCHTFGWLVXDLK-GHMZBOCLSA-N 2 2 292.374 0.111 20 0 CCADLP C[NH2+]CCOCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000638578266 375157495 /nfs/dbraw/zinc/15/74/95/375157495.db2.gz MMJWAHCOTGSEMW-UHFFFAOYSA-N 2 2 288.351 0.838 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000638583071 375162562 /nfs/dbraw/zinc/16/25/62/375162562.db2.gz HEYUUJYSZKVLQJ-NSHDSACASA-N 2 2 293.415 0.714 20 0 CCADLP CO[C@@]1(C[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)CCOC1 ZINC000638583279 375164251 /nfs/dbraw/zinc/16/42/51/375164251.db2.gz YSTURVCIGMPCCT-ZIAGYGMSSA-N 2 2 254.374 0.866 20 0 CCADLP CO[C@@]1(C[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)CCOC1 ZINC000638583279 375164254 /nfs/dbraw/zinc/16/42/54/375164254.db2.gz YSTURVCIGMPCCT-ZIAGYGMSSA-N 2 2 254.374 0.866 20 0 CCADLP CCCC[N@H+](C)CCNCc1c[nH+]c(N)nc1N ZINC000638586867 375167561 /nfs/dbraw/zinc/16/75/61/375167561.db2.gz WRVXNXCTJRLMIE-UHFFFAOYSA-N 2 2 252.366 0.123 20 0 CCADLP CCCC[N@@H+](C)CCNCc1c[nH+]c(N)nc1N ZINC000638586867 375167565 /nfs/dbraw/zinc/16/75/65/375167565.db2.gz WRVXNXCTJRLMIE-UHFFFAOYSA-N 2 2 252.366 0.123 20 0 CCADLP CO[C@](C)(C[NH2+]C[C@@H]1C[N@H+](C)CCN1C)C1CC1 ZINC000638597461 375177128 /nfs/dbraw/zinc/17/71/28/375177128.db2.gz WQWNASQHPOZGCG-ZIAGYGMSSA-N 2 2 255.406 0.637 20 0 CCADLP CO[C@](C)(C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C)C1CC1 ZINC000638597461 375177133 /nfs/dbraw/zinc/17/71/33/375177133.db2.gz WQWNASQHPOZGCG-ZIAGYGMSSA-N 2 2 255.406 0.637 20 0 CCADLP COc1cc(C[C@@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)ccn1 ZINC000638596460 375177854 /nfs/dbraw/zinc/17/78/54/375177854.db2.gz KVDRZGYGQLSLSF-HIFRSBDPSA-N 2 2 292.427 0.857 20 0 CCADLP COc1cc(C[C@@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)ccn1 ZINC000638596460 375177858 /nfs/dbraw/zinc/17/78/58/375177858.db2.gz KVDRZGYGQLSLSF-HIFRSBDPSA-N 2 2 292.427 0.857 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000638609112 375189465 /nfs/dbraw/zinc/18/94/65/375189465.db2.gz DUQXFENSHWKZQS-DZGCQCFKSA-N 2 2 277.368 0.307 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000638609112 375189471 /nfs/dbraw/zinc/18/94/71/375189471.db2.gz DUQXFENSHWKZQS-DZGCQCFKSA-N 2 2 277.368 0.307 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000638612371 375194756 /nfs/dbraw/zinc/19/47/56/375194756.db2.gz VEFKKHNTGQHWJZ-HZSPNIEDSA-N 2 2 281.400 0.069 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000638612371 375194762 /nfs/dbraw/zinc/19/47/62/375194762.db2.gz VEFKKHNTGQHWJZ-HZSPNIEDSA-N 2 2 281.400 0.069 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000638612628 375197345 /nfs/dbraw/zinc/19/73/45/375197345.db2.gz WDMZLOQGILOROK-UKRRQHHQSA-N 2 2 289.379 0.668 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000638612628 375197357 /nfs/dbraw/zinc/19/73/57/375197357.db2.gz WDMZLOQGILOROK-UKRRQHHQSA-N 2 2 289.379 0.668 20 0 CCADLP CO[C@]1(C[NH2+]C[C@H](C)C[NH+]2CCOCC2)CCOC1 ZINC000638674373 375277369 /nfs/dbraw/zinc/27/73/69/375277369.db2.gz IFZIYLAWHXHWIS-KBPBESRZSA-N 2 2 272.389 0.350 20 0 CCADLP Cn1ncnc1C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000638852125 375407645 /nfs/dbraw/zinc/40/76/45/375407645.db2.gz ABXJPFOKMICXLV-UHFFFAOYSA-N 2 2 256.313 0.795 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000638860896 375413624 /nfs/dbraw/zinc/41/36/24/375413624.db2.gz JYORKLYSXYXVPD-CQSZACIVSA-N 3 2 296.459 0.742 20 0 CCADLP CO[C@@H](C[NH2+]CC[NH+]1CCC(OC)CC1)[C@H]1CCOC1 ZINC000638900489 375438191 /nfs/dbraw/zinc/43/81/91/375438191.db2.gz PHVHCJBUMLTECT-ZFWWWQNUSA-N 2 2 286.416 0.738 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1C[C@@H]3C[C@H]1C[NH2+]3)CC2 ZINC000638917158 375454223 /nfs/dbraw/zinc/45/42/23/375454223.db2.gz ATETWKLFQACMDY-SRVKXCTJSA-N 2 2 260.341 0.327 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H](C1CCC1)[C@H]1CCCO1 ZINC000638997185 375507529 /nfs/dbraw/zinc/50/75/29/375507529.db2.gz ANTALGDRDFXQJY-BFHYXJOUSA-N 2 2 283.416 0.729 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1C[C@H]1C(F)(F)F ZINC000639004227 375513231 /nfs/dbraw/zinc/51/32/31/375513231.db2.gz LEAHDKYTFATOSC-BWZBUEFSSA-N 2 2 253.268 0.332 20 0 CCADLP C[N@H+](Cc1cnc(N)nc1N)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000639163530 375613449 /nfs/dbraw/zinc/61/34/49/375613449.db2.gz WVSRSVLNEMSXOL-FOSCPWQOSA-N 2 2 276.388 0.359 20 0 CCADLP C[N@@H+](Cc1cnc(N)nc1N)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000639163530 375613452 /nfs/dbraw/zinc/61/34/52/375613452.db2.gz WVSRSVLNEMSXOL-FOSCPWQOSA-N 2 2 276.388 0.359 20 0 CCADLP C[NH+](Cc1cnc(N)nc1N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000639163530 375613459 /nfs/dbraw/zinc/61/34/59/375613459.db2.gz WVSRSVLNEMSXOL-FOSCPWQOSA-N 2 2 276.388 0.359 20 0 CCADLP C[NH+](Cc1cnc(N)nc1N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000639163530 375613463 /nfs/dbraw/zinc/61/34/63/375613463.db2.gz WVSRSVLNEMSXOL-FOSCPWQOSA-N 2 2 276.388 0.359 20 0 CCADLP CN(Cc1c[nH+]c(N)nc1N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000639163530 375613468 /nfs/dbraw/zinc/61/34/68/375613468.db2.gz WVSRSVLNEMSXOL-FOSCPWQOSA-N 2 2 276.388 0.359 20 0 CCADLP CN(Cc1c[nH+]c(N)nc1N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000639163530 375613471 /nfs/dbraw/zinc/61/34/71/375613471.db2.gz WVSRSVLNEMSXOL-FOSCPWQOSA-N 2 2 276.388 0.359 20 0 CCADLP Cc1cc(C[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)n(C)n1 ZINC000574631006 335034889 /nfs/dbraw/zinc/03/48/89/335034889.db2.gz BTIPDEUOOZJOHL-NFAWXSAZSA-N 2 2 296.415 0.288 20 0 CCADLP CC(C)[C@@H](NC(=O)C[C@H]1C[NH2+]CCO1)c1[nH]cc[nH+]1 ZINC000574634537 335035407 /nfs/dbraw/zinc/03/54/07/335035407.db2.gz BSZFFUORDXMPJR-CMPLNLGQSA-N 2 2 266.345 0.602 20 0 CCADLP CO[C@@H](C[NH2+]CCc1cn(C)c[nH+]1)C1CCOCC1 ZINC000639255843 375667931 /nfs/dbraw/zinc/66/79/31/375667931.db2.gz MXPVTMWLIVSVKF-AWEZNQCLSA-N 2 2 267.373 0.994 20 0 CCADLP CO[C@H](C[N@H+](C)CC1C[NH+](C)C1)C1CCOCC1 ZINC000639308576 375715733 /nfs/dbraw/zinc/71/57/33/375715733.db2.gz DVBYBGCFKJISPM-CQSZACIVSA-N 2 2 256.390 0.921 20 0 CCADLP CO[C@H](C[N@@H+](C)CC1C[NH+](C)C1)C1CCOCC1 ZINC000639308576 375715739 /nfs/dbraw/zinc/71/57/39/375715739.db2.gz DVBYBGCFKJISPM-CQSZACIVSA-N 2 2 256.390 0.921 20 0 CCADLP COc1cc(C[C@@H](C)[NH2+]CC[N@@H+]2CC[C@H](O)C2)ccn1 ZINC000639357217 375757256 /nfs/dbraw/zinc/75/72/56/375757256.db2.gz LOWGMMRYVUXVKH-OCCSQVGLSA-N 2 2 279.384 0.677 20 0 CCADLP COc1cc(C[C@@H](C)[NH2+]CC[N@H+]2CC[C@H](O)C2)ccn1 ZINC000639357217 375757259 /nfs/dbraw/zinc/75/72/59/375757259.db2.gz LOWGMMRYVUXVKH-OCCSQVGLSA-N 2 2 279.384 0.677 20 0 CCADLP C[C@]12C[N@H+](Cc3c[nH+]c4n3CCC4)C[C@@]1(C)C(=O)NC2=O ZINC000639365924 375761398 /nfs/dbraw/zinc/76/13/98/375761398.db2.gz STPVIZHNSFIQPS-GASCZTMLSA-N 2 2 288.351 0.314 20 0 CCADLP C[C@]12C[N@@H+](Cc3c[nH+]c4n3CCC4)C[C@@]1(C)C(=O)NC2=O ZINC000639365924 375761402 /nfs/dbraw/zinc/76/14/02/375761402.db2.gz STPVIZHNSFIQPS-GASCZTMLSA-N 2 2 288.351 0.314 20 0 CCADLP C[NH+](C)CC1(C(=O)NCCNc2cccc[nH+]2)CC1 ZINC000639493555 375809244 /nfs/dbraw/zinc/80/92/44/375809244.db2.gz NFCZZTLJGRFAAY-UHFFFAOYSA-N 2 2 262.357 0.952 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCC(OCCCO)CC1 ZINC000639516715 375821223 /nfs/dbraw/zinc/82/12/23/375821223.db2.gz XLZDPOBUNXQJPC-UHFFFAOYSA-N 2 2 267.373 0.826 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000639547904 375830224 /nfs/dbraw/zinc/83/02/24/375830224.db2.gz YEYDRTAUJLNUBG-ZDUSSCGKSA-N 2 2 274.372 0.966 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000639547904 375830230 /nfs/dbraw/zinc/83/02/30/375830230.db2.gz YEYDRTAUJLNUBG-ZDUSSCGKSA-N 2 2 274.372 0.966 20 0 CCADLP CCOCCOCC[N@H+](C)CCc1c[nH+]cn1C ZINC000639606278 375856061 /nfs/dbraw/zinc/85/60/61/375856061.db2.gz JXCINMZHEHRVFW-UHFFFAOYSA-N 2 2 255.362 0.948 20 0 CCADLP CCOCCOCC[N@@H+](C)CCc1c[nH+]cn1C ZINC000639606278 375856065 /nfs/dbraw/zinc/85/60/65/375856065.db2.gz JXCINMZHEHRVFW-UHFFFAOYSA-N 2 2 255.362 0.948 20 0 CCADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1CCc1c[nH+]cn1C ZINC000639675005 375906067 /nfs/dbraw/zinc/90/60/67/375906067.db2.gz YNHOQBPZMJBLPB-CHWSQXEVSA-N 2 2 266.389 0.350 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1CCc1c[nH+]cn1C ZINC000639675005 375906072 /nfs/dbraw/zinc/90/60/72/375906072.db2.gz YNHOQBPZMJBLPB-CHWSQXEVSA-N 2 2 266.389 0.350 20 0 CCADLP C[C@@H]1OCC[C@H]1[N@H+](CCO)CCc1c[nH+]cn1C ZINC000639619566 375866137 /nfs/dbraw/zinc/86/61/37/375866137.db2.gz FZJRDUOKOBFDOS-WCQYABFASA-N 2 2 253.346 0.434 20 0 CCADLP C[C@@H]1OCC[C@H]1[N@@H+](CCO)CCc1c[nH+]cn1C ZINC000639619566 375866141 /nfs/dbraw/zinc/86/61/41/375866141.db2.gz FZJRDUOKOBFDOS-WCQYABFASA-N 2 2 253.346 0.434 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(CC(F)(F)CO)CC1 ZINC000639737827 375964557 /nfs/dbraw/zinc/96/45/57/375964557.db2.gz JXLLHZBPAGXBMG-ZDUSSCGKSA-N 2 2 291.386 0.716 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(CC(F)(F)CO)CC1 ZINC000639737827 375964563 /nfs/dbraw/zinc/96/45/63/375964563.db2.gz JXLLHZBPAGXBMG-ZDUSSCGKSA-N 2 2 291.386 0.716 20 0 CCADLP O[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC000639681511 375913677 /nfs/dbraw/zinc/91/36/77/375913677.db2.gz QMRUMUHVOJBSIB-SYQHCUMBSA-N 2 2 291.399 0.343 20 0 CCADLP O[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC000639681511 375913681 /nfs/dbraw/zinc/91/36/81/375913681.db2.gz QMRUMUHVOJBSIB-SYQHCUMBSA-N 2 2 291.399 0.343 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683937 375915043 /nfs/dbraw/zinc/91/50/43/375915043.db2.gz OYHVMKJOHUJJRI-INIZCTEOSA-N 3 2 292.427 0.906 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683937 375915050 /nfs/dbraw/zinc/91/50/50/375915050.db2.gz OYHVMKJOHUJJRI-INIZCTEOSA-N 3 2 292.427 0.906 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683937 375915054 /nfs/dbraw/zinc/91/50/54/375915054.db2.gz OYHVMKJOHUJJRI-INIZCTEOSA-N 3 2 292.427 0.906 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683937 375915059 /nfs/dbraw/zinc/91/50/59/375915059.db2.gz OYHVMKJOHUJJRI-INIZCTEOSA-N 3 2 292.427 0.906 20 0 CCADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639763400 375991533 /nfs/dbraw/zinc/99/15/33/375991533.db2.gz RKFCXVFZISJJPH-DZGCQCFKSA-N 2 2 285.432 0.536 20 0 CCADLP CC(C)CNC(=O)[C@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639763400 375991538 /nfs/dbraw/zinc/99/15/38/375991538.db2.gz RKFCXVFZISJJPH-DZGCQCFKSA-N 2 2 285.432 0.536 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000639767219 375997815 /nfs/dbraw/zinc/99/78/15/375997815.db2.gz QGMNWZINNUCBNC-MNOVXSKESA-N 2 2 284.322 0.688 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000639767219 375997821 /nfs/dbraw/zinc/99/78/21/375997821.db2.gz QGMNWZINNUCBNC-MNOVXSKESA-N 2 2 284.322 0.688 20 0 CCADLP Cc1cc(NC(=O)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)no1 ZINC000357088822 291633981 /nfs/dbraw/zinc/63/39/81/291633981.db2.gz OZXONPDKBUKUIO-ZDUSSCGKSA-N 2 2 292.383 0.665 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639778290 376005918 /nfs/dbraw/zinc/00/59/18/376005918.db2.gz RFOKOICTSIDQQP-UONOGXRCSA-N 2 2 282.388 0.486 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639778290 376005922 /nfs/dbraw/zinc/00/59/22/376005922.db2.gz RFOKOICTSIDQQP-UONOGXRCSA-N 2 2 282.388 0.486 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639778290 376005938 /nfs/dbraw/zinc/00/59/38/376005938.db2.gz RFOKOICTSIDQQP-UONOGXRCSA-N 2 2 282.388 0.486 20 0 CCADLP C[C@@H](CN1CCOCC1)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762209 375987692 /nfs/dbraw/zinc/98/76/92/375987692.db2.gz HLYDJWWTTGEUOR-GJZGRUSLSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H](CN1CCOCC1)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762209 375987697 /nfs/dbraw/zinc/98/76/97/375987697.db2.gz HLYDJWWTTGEUOR-GJZGRUSLSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762209 375987701 /nfs/dbraw/zinc/98/77/01/375987701.db2.gz HLYDJWWTTGEUOR-GJZGRUSLSA-N 2 2 285.432 0.096 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000639762980 375991080 /nfs/dbraw/zinc/99/10/80/375991080.db2.gz PGCBRZYOUMFVQK-NEPJUHHUSA-N 2 2 278.343 0.799 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000639762980 375991086 /nfs/dbraw/zinc/99/10/86/375991086.db2.gz PGCBRZYOUMFVQK-NEPJUHHUSA-N 2 2 278.343 0.799 20 0 CCADLP COCc1ncc2c(n1)CC[N@@H+](CCn1cc[nH+]c1)C2 ZINC000639913741 376127554 /nfs/dbraw/zinc/12/75/54/376127554.db2.gz ZUHFTKKRTUHBCY-UHFFFAOYSA-N 2 2 273.340 0.878 20 0 CCADLP COCc1ncc2c(n1)CC[N@H+](CCn1cc[nH+]c1)C2 ZINC000639913741 376127557 /nfs/dbraw/zinc/12/75/57/376127557.db2.gz ZUHFTKKRTUHBCY-UHFFFAOYSA-N 2 2 273.340 0.878 20 0 CCADLP Cc1nnc(N2CC[NH+](CCCn3cc[nH+]c3)CC2)n1C ZINC000639977510 376167654 /nfs/dbraw/zinc/16/76/54/376167654.db2.gz NWOJOLADSUJNQM-UHFFFAOYSA-N 2 2 289.387 0.532 20 0 CCADLP C[N@@H+]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)[C@H](C[NH3+])C1 ZINC000656785435 412851064 /nfs/dbraw/zinc/85/10/64/412851064.db2.gz HERDPJWPUCQUQG-MRXNPFEDSA-N 3 2 274.412 0.407 20 0 CCADLP C[N@H+](CC[C@@H]1CCCCO1)CC(=O)N1CC[NH+](C)CC1 ZINC000640051717 376219448 /nfs/dbraw/zinc/21/94/48/376219448.db2.gz XEQZTKFXWGWPPW-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP C[N@@H+](CC[C@@H]1CCCCO1)CC(=O)N1CC[NH+](C)CC1 ZINC000640051717 376219455 /nfs/dbraw/zinc/21/94/55/376219455.db2.gz XEQZTKFXWGWPPW-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP C[N@H+]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)[C@H](C[NH3+])C1 ZINC000656785435 412851068 /nfs/dbraw/zinc/85/10/68/412851068.db2.gz HERDPJWPUCQUQG-MRXNPFEDSA-N 3 2 274.412 0.407 20 0 CCADLP C[N@H+](CCc1cccnc1)CC(=O)N1CC[NH+](C)CC1 ZINC000640058407 376222769 /nfs/dbraw/zinc/22/27/69/376222769.db2.gz MKMWZVKKJFIXGK-UHFFFAOYSA-N 2 2 276.384 0.330 20 0 CCADLP C[N@@H+](CCc1cccnc1)CC(=O)N1CC[NH+](C)CC1 ZINC000640058407 376222777 /nfs/dbraw/zinc/22/27/77/376222777.db2.gz MKMWZVKKJFIXGK-UHFFFAOYSA-N 2 2 276.384 0.330 20 0 CCADLP CC[NH+](CC)CCC[NH+]1CCC(S(=O)(=O)NC)CC1 ZINC000364357951 284591406 /nfs/dbraw/zinc/59/14/06/284591406.db2.gz WQCDOQFDLVQKSW-UHFFFAOYSA-N 2 2 291.461 0.732 20 0 CCADLP CC(C)Oc1cc[nH+]c(Cn2cc(COCC[NH3+])nn2)c1 ZINC000641202014 376877739 /nfs/dbraw/zinc/87/77/39/376877739.db2.gz OZZHQFWUDDMTLV-UHFFFAOYSA-N 2 2 291.355 0.984 20 0 CCADLP CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641354226 377028380 /nfs/dbraw/zinc/02/83/80/377028380.db2.gz KVIXMOONZFXBTB-GFCCVEGCSA-N 2 2 286.401 0.239 20 0 CCADLP CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641354226 377028387 /nfs/dbraw/zinc/02/83/87/377028387.db2.gz KVIXMOONZFXBTB-GFCCVEGCSA-N 2 2 286.401 0.239 20 0 CCADLP O=S(=O)(CCn1cc[nH+]c1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000641323747 376996002 /nfs/dbraw/zinc/99/60/02/376996002.db2.gz OHHIQAIPQHHGFL-ZDUSSCGKSA-N 2 2 298.412 0.287 20 0 CCADLP O=S(=O)(CCn1cc[nH+]c1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000641323747 376996007 /nfs/dbraw/zinc/99/60/07/376996007.db2.gz OHHIQAIPQHHGFL-ZDUSSCGKSA-N 2 2 298.412 0.287 20 0 CCADLP CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641326657 376997520 /nfs/dbraw/zinc/99/75/20/376997520.db2.gz DJYTZSWOBIOHKD-CYBMUJFWSA-N 2 2 298.412 0.381 20 0 CCADLP CN([C@@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641326657 376997534 /nfs/dbraw/zinc/99/75/34/376997534.db2.gz DJYTZSWOBIOHKD-CYBMUJFWSA-N 2 2 298.412 0.381 20 0 CCADLP C[C@@H]([NH3+])CNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000641414325 377090086 /nfs/dbraw/zinc/09/00/86/377090086.db2.gz XUIYFKMHPGCPHX-CHWSQXEVSA-N 2 2 291.399 0.817 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000641720364 377419839 /nfs/dbraw/zinc/41/98/39/377419839.db2.gz SJCQTFZPSAOUEJ-GFCCVEGCSA-N 2 2 289.383 0.604 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000641720364 377419848 /nfs/dbraw/zinc/41/98/48/377419848.db2.gz SJCQTFZPSAOUEJ-GFCCVEGCSA-N 2 2 289.383 0.604 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1c(C)cnn1C ZINC000641770476 377453185 /nfs/dbraw/zinc/45/31/85/377453185.db2.gz SQNWSNCNYZGKGD-ZDUSSCGKSA-N 2 2 268.405 0.911 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1ccc(CO)o1 ZINC000641773237 377456027 /nfs/dbraw/zinc/45/60/27/377456027.db2.gz XCOYDBGZPQMNOX-GFCCVEGCSA-N 2 2 270.373 0.954 20 0 CCADLP CN(C(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)c1nccs1 ZINC000641803874 377473079 /nfs/dbraw/zinc/47/30/79/377473079.db2.gz VUFNNVANZBYIDE-DTWKUNHWSA-N 2 2 268.386 0.821 20 0 CCADLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1nnnn1Cc1ccccc1 ZINC000641805785 377478803 /nfs/dbraw/zinc/47/88/03/377478803.db2.gz OMUNWIPJUORZNA-STQMWFEESA-N 2 2 286.383 0.937 20 0 CCADLP O=C(Nc1cccc(-n2cc[nH+]c2)c1)C(=O)N1CC[NH2+]CC1 ZINC000415282676 249010112 /nfs/dbraw/zinc/01/01/12/249010112.db2.gz LCBRLVBZOFXUOC-UHFFFAOYSA-N 2 2 299.334 0.243 20 0 CCADLP CN(C)c1ncc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000427132863 249017352 /nfs/dbraw/zinc/01/73/52/249017352.db2.gz HYUDIVUDCPLUOA-OLZOCXBDSA-N 2 2 261.373 0.726 20 0 CCADLP CN(C)c1ncc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cn1 ZINC000427132863 249017354 /nfs/dbraw/zinc/01/73/54/249017354.db2.gz HYUDIVUDCPLUOA-OLZOCXBDSA-N 2 2 261.373 0.726 20 0 CCADLP Cc1cc[nH+]cc1N1CCN(C(=O)NC/C=C/C[NH3+])CC1 ZINC000641866585 377513282 /nfs/dbraw/zinc/51/32/82/377513282.db2.gz FLZAQUMDUNKQEK-NSCUHMNNSA-N 2 2 289.383 0.737 20 0 CCADLP [NH3+]C/C=C\CNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000641865490 377513377 /nfs/dbraw/zinc/51/33/77/377513377.db2.gz WEKFSEKLKXJPMG-UPHRSURJSA-N 2 2 278.356 0.622 20 0 CCADLP O=C(/C=C/c1[nH]cc[nH+]1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000493193556 249084933 /nfs/dbraw/zinc/08/49/33/249084933.db2.gz SVOPLKRWTSRZTO-ITKZLYELSA-N 2 2 278.356 0.386 20 0 CCADLP O=C(/C=C/c1[nH]cc[nH+]1)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000493193556 249084935 /nfs/dbraw/zinc/08/49/35/249084935.db2.gz SVOPLKRWTSRZTO-ITKZLYELSA-N 2 2 278.356 0.386 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000514951717 249114472 /nfs/dbraw/zinc/11/44/72/249114472.db2.gz VHDUWELMWWUGBQ-LBPRGKRZSA-N 2 2 280.372 0.379 20 0 CCADLP Cc1cc(C)c(CNC(=O)NC[C@@H]2C[NH2+]CCN2C)c[nH+]1 ZINC000514591504 249091477 /nfs/dbraw/zinc/09/14/77/249091477.db2.gz DLJBYABKCMSQGL-AWEZNQCLSA-N 2 2 291.399 0.401 20 0 CCADLP Fc1cc(C[NH2+][C@H]2CC[NH2+]C2)ccc1-n1cncn1 ZINC000514614082 249094477 /nfs/dbraw/zinc/09/44/77/249094477.db2.gz BDULADAANHDBPB-NSHDSACASA-N 2 2 261.304 0.858 20 0 CCADLP C[NH2+]CCCNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000514725008 249101186 /nfs/dbraw/zinc/10/11/86/249101186.db2.gz IUGUACSWXMTZQM-UHFFFAOYSA-N 2 2 263.332 0.689 20 0 CCADLP C[C@@H](CN1CCOCC1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000514839377 249107078 /nfs/dbraw/zinc/10/70/78/249107078.db2.gz WFHHSBGXJJHYTK-UONOGXRCSA-N 2 2 278.400 0.930 20 0 CCADLP C[C@@H](CN1CCOCC1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000514839377 249107082 /nfs/dbraw/zinc/10/70/82/249107082.db2.gz WFHHSBGXJJHYTK-UONOGXRCSA-N 2 2 278.400 0.930 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCCOC(F)F)C[C@H](C)O1 ZINC000516762726 249177947 /nfs/dbraw/zinc/17/79/47/249177947.db2.gz LMMSEELRDAQOLA-TUAOUCFPSA-N 2 2 296.358 0.675 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCCOC(F)F)C[C@H](C)O1 ZINC000516762726 249177949 /nfs/dbraw/zinc/17/79/49/249177949.db2.gz LMMSEELRDAQOLA-TUAOUCFPSA-N 2 2 296.358 0.675 20 0 CCADLP OCC1(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CCCC1 ZINC000517024122 249198427 /nfs/dbraw/zinc/19/84/27/249198427.db2.gz GDCROWGYVGBGPF-UONOGXRCSA-N 2 2 268.401 0.896 20 0 CCADLP Cc1[nH]ncc1C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000517030565 249199191 /nfs/dbraw/zinc/19/91/91/249199191.db2.gz QIKSMPAIAFVIFK-ZDUSSCGKSA-N 2 2 264.373 0.905 20 0 CCADLP Cc1[nH]ncc1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000517030565 249199193 /nfs/dbraw/zinc/19/91/93/249199193.db2.gz QIKSMPAIAFVIFK-ZDUSSCGKSA-N 2 2 264.373 0.905 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1[C@H](C)CCC[C@@H]1CO ZINC000518790964 249262459 /nfs/dbraw/zinc/26/24/59/249262459.db2.gz SENGRHVYKSVJMF-MCIONIFRSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1[C@H](C)CCC[C@@H]1CO ZINC000518790964 249262460 /nfs/dbraw/zinc/26/24/60/249262460.db2.gz SENGRHVYKSVJMF-MCIONIFRSA-N 2 2 274.405 0.161 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3cc(F)ccc3F)CCN2C1=O ZINC000574651572 335037564 /nfs/dbraw/zinc/03/75/64/335037564.db2.gz OFOPWSAETFJMTF-YPMHNXCESA-N 2 2 281.306 0.709 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3cc(F)ccc3F)CCN2C1=O ZINC000574651572 335037565 /nfs/dbraw/zinc/03/75/65/335037565.db2.gz OFOPWSAETFJMTF-YPMHNXCESA-N 2 2 281.306 0.709 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000422891382 295248844 /nfs/dbraw/zinc/24/88/44/295248844.db2.gz VFQMVBFYKCLKPE-MELADBBJSA-N 3 2 282.432 0.433 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000422891382 295248846 /nfs/dbraw/zinc/24/88/46/295248846.db2.gz VFQMVBFYKCLKPE-MELADBBJSA-N 3 2 282.432 0.433 20 0 CCADLP C[C@H](C[NH2+]CCN1C(=O)c2ccccc2C1=O)[NH+](C)C ZINC000278510780 194019483 /nfs/dbraw/zinc/01/94/83/194019483.db2.gz PUWIIEAQFQQLTN-LLVKDONJSA-N 2 2 275.352 0.822 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000278592442 194060134 /nfs/dbraw/zinc/06/01/34/194060134.db2.gz KOFFXNGLGWRUKX-RYUDHWBXSA-N 2 2 294.399 0.876 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000278592442 194060135 /nfs/dbraw/zinc/06/01/35/194060135.db2.gz KOFFXNGLGWRUKX-RYUDHWBXSA-N 2 2 294.399 0.876 20 0 CCADLP COC(=O)c1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c[nH]1 ZINC000278661834 194089804 /nfs/dbraw/zinc/08/98/04/194089804.db2.gz MSDVKQKLOPHMOH-TXEJJXNPSA-N 2 2 263.341 0.795 20 0 CCADLP COC(=O)c1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c[nH]1 ZINC000278661834 194089807 /nfs/dbraw/zinc/08/98/07/194089807.db2.gz MSDVKQKLOPHMOH-TXEJJXNPSA-N 2 2 263.341 0.795 20 0 CCADLP COC(=O)c1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c[nH]1 ZINC000278661834 194089810 /nfs/dbraw/zinc/08/98/10/194089810.db2.gz MSDVKQKLOPHMOH-TXEJJXNPSA-N 2 2 263.341 0.795 20 0 CCADLP COC(=O)c1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c[nH]1 ZINC000278661834 194089811 /nfs/dbraw/zinc/08/98/11/194089811.db2.gz MSDVKQKLOPHMOH-TXEJJXNPSA-N 2 2 263.341 0.795 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278669024 194092839 /nfs/dbraw/zinc/09/28/39/194092839.db2.gz BIVBGYNBYCYWBM-VIFPVBQESA-N 2 2 274.328 0.150 20 0 CCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)CCn1cc[nH+]c1 ZINC000279278751 194365170 /nfs/dbraw/zinc/36/51/70/194365170.db2.gz KGHKLVQCAUAVDI-UHFFFAOYSA-N 2 2 294.399 0.842 20 0 CCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)CCn1cc[nH+]c1 ZINC000279278751 194365173 /nfs/dbraw/zinc/36/51/73/194365173.db2.gz KGHKLVQCAUAVDI-UHFFFAOYSA-N 2 2 294.399 0.842 20 0 CCADLP CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccc3[nH+]c(C)cn3c2)C1 ZINC000570566758 291765272 /nfs/dbraw/zinc/76/52/72/291765272.db2.gz LZQDJWGMYDNCBG-NWDGAFQWSA-N 2 2 274.324 0.958 20 0 CCADLP O=C(NCc1cn2ccccc2[nH+]1)N[C@H]1CCC[NH2+]C1 ZINC000334908210 207273312 /nfs/dbraw/zinc/27/33/12/207273312.db2.gz JOBKHHSLLIQMHQ-NSHDSACASA-N 2 2 273.340 0.886 20 0 CCADLP CCCN(CC[NH+](C)C)C(=O)[C@H]([NH3+])c1cscn1 ZINC000571213756 291799320 /nfs/dbraw/zinc/79/93/20/291799320.db2.gz MVVFUYWNXBYDDO-LLVKDONJSA-N 2 2 270.402 0.943 20 0 CCADLP O=C1CNC(=O)N1CC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000104946370 296338564 /nfs/dbraw/zinc/33/85/64/296338564.db2.gz JYYUYOGNORQXJZ-UHFFFAOYSA-N 2 2 280.372 0.098 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1COCC[NH2+]1 ZINC000246184778 285008642 /nfs/dbraw/zinc/00/86/42/285008642.db2.gz CNCKILYVUOSTQQ-ZIAGYGMSSA-N 2 2 281.400 0.356 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1COCC[NH2+]1 ZINC000246184778 285008644 /nfs/dbraw/zinc/00/86/44/285008644.db2.gz CNCKILYVUOSTQQ-ZIAGYGMSSA-N 2 2 281.400 0.356 20 0 CCADLP O=C1c2ccccc2C(=O)N1CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000262495980 285021093 /nfs/dbraw/zinc/02/10/93/285021093.db2.gz LKEXRVQPWQOZCW-CHWSQXEVSA-N 2 2 299.374 0.824 20 0 CCADLP O=C1c2ccccc2C(=O)N1CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000262495980 285021096 /nfs/dbraw/zinc/02/10/96/285021096.db2.gz LKEXRVQPWQOZCW-CHWSQXEVSA-N 2 2 299.374 0.824 20 0 CCADLP COCC[N@@H+]1CC[C@@H]([NH2+]C2CC(CC(=O)OC)C2)C1 ZINC000424311518 532981760 /nfs/dbraw/zinc/98/17/60/532981760.db2.gz KVPAPERHOYYMRN-OTTFEQOBSA-N 2 2 270.373 0.638 20 0 CCADLP COCC[N@H+]1CC[C@@H]([NH2+]C2CC(CC(=O)OC)C2)C1 ZINC000424311518 532981765 /nfs/dbraw/zinc/98/17/65/532981765.db2.gz KVPAPERHOYYMRN-OTTFEQOBSA-N 2 2 270.373 0.638 20 0 CCADLP COCC[N@@H+]1CC[C@H]([NH2+]CCC2=CC[NH2+]CC2)C1 ZINC000423544567 532985541 /nfs/dbraw/zinc/98/55/41/532985541.db2.gz XAPRTZPVDHPVRU-AWEZNQCLSA-N 3 2 253.390 0.607 20 0 CCADLP COCC[N@H+]1CC[C@H]([NH2+]CCC2=CC[NH2+]CC2)C1 ZINC000423544567 532985544 /nfs/dbraw/zinc/98/55/44/532985544.db2.gz XAPRTZPVDHPVRU-AWEZNQCLSA-N 3 2 253.390 0.607 20 0 CCADLP C[C@]1(CNC(=O)[C@@H]([NH3+])c2cscn2)CCC[NH2+]C1 ZINC000576696453 335235802 /nfs/dbraw/zinc/23/58/02/335235802.db2.gz POVSWUFUPWWHCH-JQWIXIFHSA-N 2 2 268.386 0.649 20 0 CCADLP CC(C)(C[NH2+]Cc1c[nH+]c2n1CCC2)S(C)(=O)=O ZINC000657386331 412978927 /nfs/dbraw/zinc/97/89/27/412978927.db2.gz FFYWFMTWVXQXLR-UHFFFAOYSA-N 2 2 271.386 0.742 20 0 CCADLP [NH3+][C@@H](C(=O)N1CC[C@@H]([NH3+])C1)c1c(F)cccc1F ZINC000335391061 208354579 /nfs/dbraw/zinc/35/45/79/208354579.db2.gz SJJQSEJXLIDGBG-RDDDGLTNSA-N 2 2 255.268 0.524 20 0 CCADLP Cn1ncc(C2CC2)c1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000657415620 412985330 /nfs/dbraw/zinc/98/53/30/412985330.db2.gz NARJFIPUVXZXPI-AWEZNQCLSA-N 2 2 266.389 0.700 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2CCO[C@@H](C)C2)CC[NH+]1CC(C)(C)O ZINC000249217388 285106349 /nfs/dbraw/zinc/10/63/49/285106349.db2.gz FGSAWFOVILRSCD-CABCVRRESA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2CCO[C@@H](C)C2)CC[NH+]1CC(C)(C)O ZINC000249217388 285106351 /nfs/dbraw/zinc/10/63/51/285106351.db2.gz FGSAWFOVILRSCD-CABCVRRESA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1CN(CC[NH+]2CCO[C@@H](C)C2)CC[N@@H+]1CC(C)(C)O ZINC000249217388 285106353 /nfs/dbraw/zinc/10/63/53/285106353.db2.gz FGSAWFOVILRSCD-CABCVRRESA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1CN(CC[NH+]2CCO[C@@H](C)C2)CC[N@H+]1CC(C)(C)O ZINC000249217388 285106355 /nfs/dbraw/zinc/10/63/55/285106355.db2.gz FGSAWFOVILRSCD-CABCVRRESA-N 2 2 299.459 0.484 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCCc1c[nH+]ccc1C ZINC000289349764 197306918 /nfs/dbraw/zinc/30/69/18/197306918.db2.gz MVCLUATUNPUFMT-KGLIPLIRSA-N 2 2 278.352 0.931 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCCc1c[nH+]ccc1C ZINC000289349764 197306919 /nfs/dbraw/zinc/30/69/19/197306919.db2.gz MVCLUATUNPUFMT-KGLIPLIRSA-N 2 2 278.352 0.931 20 0 CCADLP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)C1CC1 ZINC000453258052 533088804 /nfs/dbraw/zinc/08/88/04/533088804.db2.gz HOVHKWBKHOJVSZ-KBPBESRZSA-N 2 2 256.390 0.848 20 0 CCADLP COC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)C1CC1 ZINC000453258052 533088810 /nfs/dbraw/zinc/08/88/10/533088810.db2.gz HOVHKWBKHOJVSZ-KBPBESRZSA-N 2 2 256.390 0.848 20 0 CCADLP COc1c[nH+]ccc1N1CC[NH+](C[C@@](C)(O)C(C)=O)CC1 ZINC000450901635 533135059 /nfs/dbraw/zinc/13/50/59/533135059.db2.gz WREIXNTXCDNMPB-OAHLLOKOSA-N 2 2 293.367 0.552 20 0 CCADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)NC(=O)Nc1ccccc1 ZINC000359282569 285200636 /nfs/dbraw/zinc/20/06/36/285200636.db2.gz SODLLFRYYACPEW-RYUDHWBXSA-N 2 2 288.351 0.486 20 0 CCADLP Cn1nnc2c1CC[C@H]([NH2+]Cc1c[nH+]c3n1CCC3)C2 ZINC000657504300 413013960 /nfs/dbraw/zinc/01/39/60/413013960.db2.gz GBGFTSSTULIXBQ-JTQLQIEISA-N 2 2 272.356 0.605 20 0 CCADLP COCCO[C@@H]1CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425332567 533170786 /nfs/dbraw/zinc/17/07/86/533170786.db2.gz CVOHCWGMSNREED-CYBMUJFWSA-N 2 2 282.388 0.723 20 0 CCADLP COCCO[C@@H]1CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425332567 533170793 /nfs/dbraw/zinc/17/07/93/533170793.db2.gz CVOHCWGMSNREED-CYBMUJFWSA-N 2 2 282.388 0.723 20 0 CCADLP CO[C@@H](C[NH2+]Cc1c[nH+]c(N(C)C)n1C)[C@@H]1CCOC1 ZINC000657540527 413022507 /nfs/dbraw/zinc/02/25/07/413022507.db2.gz HXFNSAMJUYCZTK-YPMHNXCESA-N 2 2 282.388 0.627 20 0 CCADLP CC[N@@H+]1CCC[C@H](NC[C@@H](O)C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000516175854 285268517 /nfs/dbraw/zinc/26/85/17/285268517.db2.gz WCWUPYGPBRHDRR-XUWVNRHRSA-N 2 2 299.459 0.530 20 0 CCADLP CC[N@H+]1CCC[C@H](NC[C@@H](O)C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000516175854 285268518 /nfs/dbraw/zinc/26/85/18/285268518.db2.gz WCWUPYGPBRHDRR-XUWVNRHRSA-N 2 2 299.459 0.530 20 0 CCADLP CC[NH+]1CCC[C@H](NC[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000516175854 285268520 /nfs/dbraw/zinc/26/85/20/285268520.db2.gz WCWUPYGPBRHDRR-XUWVNRHRSA-N 2 2 299.459 0.530 20 0 CCADLP CC[NH+]1CCC[C@H](NC[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000516175854 285268521 /nfs/dbraw/zinc/26/85/21/285268521.db2.gz WCWUPYGPBRHDRR-XUWVNRHRSA-N 2 2 299.459 0.530 20 0 CCADLP CCCn1cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cn1 ZINC000520839542 285277202 /nfs/dbraw/zinc/27/72/02/285277202.db2.gz INTRBBUYCWUGRO-OLZOCXBDSA-N 2 2 277.372 0.037 20 0 CCADLP CCCn1cc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cn1 ZINC000520839542 285277207 /nfs/dbraw/zinc/27/72/07/285277207.db2.gz INTRBBUYCWUGRO-OLZOCXBDSA-N 2 2 277.372 0.037 20 0 CCADLP Cn1ncc2c1nc(N)[nH+]c2NC1CC[NH+](C2CC2)CC1 ZINC000520838393 285277454 /nfs/dbraw/zinc/27/74/54/285277454.db2.gz ZOTIPIMBORJGRD-UHFFFAOYSA-N 2 2 287.371 0.815 20 0 CCADLP CCN1CC[N@H+](C[C@@H]2CCC[NH2+]C2)C(C)(C)C1=O ZINC000261783938 285319097 /nfs/dbraw/zinc/31/90/97/285319097.db2.gz FQBHVHKLPKOCPP-GFCCVEGCSA-N 2 2 253.390 0.929 20 0 CCADLP CCN1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)C(C)(C)C1=O ZINC000261783938 285319102 /nfs/dbraw/zinc/31/91/02/285319102.db2.gz FQBHVHKLPKOCPP-GFCCVEGCSA-N 2 2 253.390 0.929 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000575054248 335059644 /nfs/dbraw/zinc/05/96/44/335059644.db2.gz WVPKRDAUXGHWMV-ZYHUDNBSSA-N 3 2 264.373 0.312 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000575054248 335059645 /nfs/dbraw/zinc/05/96/45/335059645.db2.gz WVPKRDAUXGHWMV-ZYHUDNBSSA-N 3 2 264.373 0.312 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000575054248 335059646 /nfs/dbraw/zinc/05/96/46/335059646.db2.gz WVPKRDAUXGHWMV-ZYHUDNBSSA-N 3 2 264.373 0.312 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000575054248 335059648 /nfs/dbraw/zinc/05/96/48/335059648.db2.gz WVPKRDAUXGHWMV-ZYHUDNBSSA-N 3 2 264.373 0.312 20 0 CCADLP C[NH2+][C@@H](C(=O)N1CC[NH+](C2CCC2)CC1)c1cnn(C)c1 ZINC000285865405 388807514 /nfs/dbraw/zinc/80/75/14/388807514.db2.gz ZMENGYALUMIRAE-CQSZACIVSA-N 2 2 291.399 0.377 20 0 CCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccccn1 ZINC000035125188 388835887 /nfs/dbraw/zinc/83/58/87/388835887.db2.gz HNYOXQZETVIXQU-GFCCVEGCSA-N 2 2 262.357 0.506 20 0 CCADLP CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000657607618 413037797 /nfs/dbraw/zinc/03/77/97/413037797.db2.gz ZUKHGHCKZPPXER-AAEUAGOBSA-N 2 2 299.396 0.049 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)C(=O)NCCn1cc[nH+]c1 ZINC000041120101 388861864 /nfs/dbraw/zinc/86/18/64/388861864.db2.gz YSJPJAVWUPAANQ-ZDUSSCGKSA-N 2 2 258.325 0.569 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NCC[NH+]1CCSCC1 ZINC000290610728 388908475 /nfs/dbraw/zinc/90/84/75/388908475.db2.gz BJRXFAOSZOSEAW-UHFFFAOYSA-N 2 2 283.401 0.268 20 0 CCADLP C[C@H]([C@H](C)NC(=O)c1coc(C[NH3+])c1)[NH+]1CCOCC1 ZINC000188181500 388916904 /nfs/dbraw/zinc/91/69/04/388916904.db2.gz MXQXLIYCOGDERG-WDEREUQCSA-N 2 2 281.356 0.577 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000291108821 388917146 /nfs/dbraw/zinc/91/71/46/388917146.db2.gz DHXMDMKMLRULQQ-UHFFFAOYSA-N 2 2 289.339 0.934 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cnn(CC(F)F)c1 ZINC000292831329 388961198 /nfs/dbraw/zinc/96/11/98/388961198.db2.gz XWKLUEGAHLIZJN-GFCCVEGCSA-N 2 2 276.331 0.550 20 0 CCADLP CCn1cc[nH+]c1CN1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000189560709 388964006 /nfs/dbraw/zinc/96/40/06/388964006.db2.gz YHXSHBQSVZYUII-QWHCGFSZSA-N 2 2 266.389 0.790 20 0 CCADLP CCn1cc[nH+]c1CN1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000189560709 388964007 /nfs/dbraw/zinc/96/40/07/388964007.db2.gz YHXSHBQSVZYUII-QWHCGFSZSA-N 2 2 266.389 0.790 20 0 CCADLP CCN(CCC[NH+](C)C)C(=O)NCc1c[nH+]cn1C ZINC000292418353 388949938 /nfs/dbraw/zinc/94/99/38/388949938.db2.gz TVUVKODWTSFUCI-UHFFFAOYSA-N 2 2 267.377 0.903 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC[NH+]([C@H]3CCOC3)CC2)CCO1 ZINC000336735977 389017653 /nfs/dbraw/zinc/01/76/53/389017653.db2.gz XXJJOSPKCKBFJK-OCCSQVGLSA-N 2 2 254.374 0.960 20 0 CCADLP C[C@@H]1C[N@H+](C2CC[NH+]([C@H]3CCOC3)CC2)CCO1 ZINC000336735977 389017654 /nfs/dbraw/zinc/01/76/54/389017654.db2.gz XXJJOSPKCKBFJK-OCCSQVGLSA-N 2 2 254.374 0.960 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000336815664 389024113 /nfs/dbraw/zinc/02/41/13/389024113.db2.gz INCKTSVNYBVUAP-AVGNSLFASA-N 2 2 269.389 0.069 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000336815664 389024123 /nfs/dbraw/zinc/02/41/23/389024123.db2.gz INCKTSVNYBVUAP-AVGNSLFASA-N 2 2 269.389 0.069 20 0 CCADLP CC(C)OCC[NH+]1CCN(CC[N@H+]2CCOC[C@H]2C)CC1 ZINC000192735751 389049578 /nfs/dbraw/zinc/04/95/78/389049578.db2.gz DXMSFZDVXSOQKL-MRXNPFEDSA-N 2 2 299.459 0.750 20 0 CCADLP Cc1nc(N2CCN(C(=O)C[NH+](C)C)CC2)c(C)c(C)[nH+]1 ZINC000301674285 389055694 /nfs/dbraw/zinc/05/56/94/389055694.db2.gz GRDXVMWMWBSMBN-UHFFFAOYSA-N 2 2 291.399 0.612 20 0 CCADLP C[NH+](C)CCN(C(=O)[C@H]1C[N@H+](C)CCO1)C1CCCC1 ZINC000355344864 389063812 /nfs/dbraw/zinc/06/38/12/389063812.db2.gz QKLXSWZABQTQPR-CQSZACIVSA-N 2 2 283.416 0.650 20 0 CCADLP C[NH+](C)CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CCCC1 ZINC000355344864 389063814 /nfs/dbraw/zinc/06/38/14/389063814.db2.gz QKLXSWZABQTQPR-CQSZACIVSA-N 2 2 283.416 0.650 20 0 CCADLP Cc1nc(N2CCN(c3nc(N(C)C)cc[nH+]3)CC2)cc[nH+]1 ZINC000302181544 389064624 /nfs/dbraw/zinc/06/46/24/389064624.db2.gz ZVDRRDSTRYCOLZ-UHFFFAOYSA-N 2 2 299.382 0.968 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000337800055 389068947 /nfs/dbraw/zinc/06/89/47/389068947.db2.gz GGVVCCONWROEIR-VOAKCMCISA-N 2 2 251.374 0.680 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000337800055 389068951 /nfs/dbraw/zinc/06/89/51/389068951.db2.gz GGVVCCONWROEIR-VOAKCMCISA-N 2 2 251.374 0.680 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000355483793 389083422 /nfs/dbraw/zinc/08/34/22/389083422.db2.gz TZYLNSSSBXXQFI-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]([N@H+](C)CC(=O)N1CC[NH+](C)CC1)C1(C)CC1 ZINC000093188643 389035122 /nfs/dbraw/zinc/03/51/22/389035122.db2.gz FMUJJRSQOSJJDG-GFCCVEGCSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@@H]([N@@H+](C)CC(=O)N1CC[NH+](C)CC1)C1(C)CC1 ZINC000093188643 389035124 /nfs/dbraw/zinc/03/51/24/389035124.db2.gz FMUJJRSQOSJJDG-GFCCVEGCSA-N 2 2 253.390 0.881 20 0 CCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000355042261 389037594 /nfs/dbraw/zinc/03/75/94/389037594.db2.gz KGZJYQSNQLRNAM-FZMZJTMJSA-N 2 2 292.383 0.492 20 0 CCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000355042261 389037598 /nfs/dbraw/zinc/03/75/98/389037598.db2.gz KGZJYQSNQLRNAM-FZMZJTMJSA-N 2 2 292.383 0.492 20 0 CCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000355042261 389037602 /nfs/dbraw/zinc/03/76/02/389037602.db2.gz KGZJYQSNQLRNAM-FZMZJTMJSA-N 2 2 292.383 0.492 20 0 CCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000355042261 389037606 /nfs/dbraw/zinc/03/76/06/389037606.db2.gz KGZJYQSNQLRNAM-FZMZJTMJSA-N 2 2 292.383 0.492 20 0 CCADLP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H](C)CN1C ZINC000338288395 389107006 /nfs/dbraw/zinc/10/70/06/389107006.db2.gz ZQWMFKSXVSDIHG-ZIAGYGMSSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H](C)CN1C ZINC000338288395 389107009 /nfs/dbraw/zinc/10/70/09/389107009.db2.gz ZQWMFKSXVSDIHG-ZIAGYGMSSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1CCC(=O)N1CC[NH+](C)CC1 ZINC000338288395 389107010 /nfs/dbraw/zinc/10/70/10/389107010.db2.gz ZQWMFKSXVSDIHG-ZIAGYGMSSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1CCC(=O)N1CC[NH+](C)CC1 ZINC000338288395 389107012 /nfs/dbraw/zinc/10/70/12/389107012.db2.gz ZQWMFKSXVSDIHG-ZIAGYGMSSA-N 2 2 282.432 0.175 20 0 CCADLP CCC(CC)[C@@H](C(=O)NC[C@H](C)[NH3+])[NH+]1CCOCC1 ZINC000194901586 389109731 /nfs/dbraw/zinc/10/97/31/389109731.db2.gz PMZAYILFILQKQB-AAEUAGOBSA-N 2 2 271.405 0.587 20 0 CCADLP CC[NH+]1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000355697089 389112897 /nfs/dbraw/zinc/11/28/97/389112897.db2.gz KNXNSYQJYPHUHL-UHFFFAOYSA-N 2 2 266.345 0.514 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCc3ccccc3NC2=O)CCCO1 ZINC000313350415 389113253 /nfs/dbraw/zinc/11/32/53/389113253.db2.gz MTZJBVVQYFDYSH-UKRRQHHQSA-N 2 2 289.379 0.990 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCc3ccccc3NC2=O)CCCO1 ZINC000313350415 389113257 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/nfs/dbraw/zinc/39/15/40/389391540.db2.gz APAHSIQUONTENX-ZDUSSCGKSA-N 2 2 274.368 0.871 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000332938939 389396123 /nfs/dbraw/zinc/39/61/23/389396123.db2.gz YIIRBFSOKWPGTF-GXTWGEPZSA-N 2 2 296.415 0.101 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421001636 389346012 /nfs/dbraw/zinc/34/60/12/389346012.db2.gz LHSJETFOMCONRF-KGLIPLIRSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C[C@@H]1CCC[N@H+]1C ZINC000421001636 389346015 /nfs/dbraw/zinc/34/60/15/389346015.db2.gz LHSJETFOMCONRF-KGLIPLIRSA-N 2 2 255.406 0.733 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)NCCC[NH3+])cn21 ZINC000417988449 227374172 /nfs/dbraw/zinc/37/41/72/227374172.db2.gz KEQDUTBROLGHMU-UHFFFAOYSA-N 2 2 261.329 0.791 20 0 CCADLP CCOC(=O)C1([C@@H](C)[NH2+]CC[NH+]2CCCC2)CC[NH2+]CC1 ZINC000422752965 389467895 /nfs/dbraw/zinc/46/78/95/389467895.db2.gz BSHFEDZUAUIAHY-CQSZACIVSA-N 3 2 297.443 0.993 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC1CCC([NH3+])CC1 ZINC000422767498 389470047 /nfs/dbraw/zinc/47/00/47/389470047.db2.gz RFUGFLDHOMGOKU-RUXDESIVSA-N 2 2 283.416 0.873 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NC1CCC([NH3+])CC1 ZINC000422767498 389470050 /nfs/dbraw/zinc/47/00/50/389470050.db2.gz RFUGFLDHOMGOKU-RUXDESIVSA-N 2 2 283.416 0.873 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000422770051 389471425 /nfs/dbraw/zinc/47/14/25/389471425.db2.gz WGHTWHDMKSMTIO-ZIAGYGMSSA-N 2 2 283.416 0.603 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000422770051 389471429 /nfs/dbraw/zinc/47/14/29/389471429.db2.gz WGHTWHDMKSMTIO-ZIAGYGMSSA-N 2 2 283.416 0.603 20 0 CCADLP CCN(CC)S(=O)(=O)CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422860486 389494142 /nfs/dbraw/zinc/49/41/42/389494142.db2.gz MNUQCVJYRWXQIZ-RYUDHWBXSA-N 2 2 277.434 0.388 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCCC[NH+]1CCC(C)CC1 ZINC000422783635 389474873 /nfs/dbraw/zinc/47/48/73/389474873.db2.gz NEDZAHCJXMDOAW-HUUCEWRRSA-N 2 2 297.443 0.992 20 0 CCADLP O=C(NC[C@H]1CCC[NH2+]1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000422790386 389475720 /nfs/dbraw/zinc/47/57/20/389475720.db2.gz TZJXMZYTZHGZCX-OCCSQVGLSA-N 2 2 281.400 0.498 20 0 CCADLP O=C(NC[C@H]1CCC[NH2+]1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000422790386 389475722 /nfs/dbraw/zinc/47/57/22/389475722.db2.gz TZJXMZYTZHGZCX-OCCSQVGLSA-N 2 2 281.400 0.498 20 0 CCADLP O=C(NCC[C@H]1CC[NH2+]C1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000422804323 389478481 /nfs/dbraw/zinc/47/84/81/389478481.db2.gz HJZJBACQMQEFFD-HIFRSBDPSA-N 2 2 295.427 0.746 20 0 CCADLP O=C(NCC[C@H]1CC[NH2+]C1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000422804323 389478484 /nfs/dbraw/zinc/47/84/84/389478484.db2.gz HJZJBACQMQEFFD-HIFRSBDPSA-N 2 2 295.427 0.746 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCN1C(=O)N[C@@H](C)C1=O ZINC000333568107 389426938 /nfs/dbraw/zinc/42/69/38/389426938.db2.gz IAMHUPOHXWNGGK-XQQFMLRXSA-N 2 2 294.399 0.485 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCN1C(=O)N[C@@H](C)C1=O ZINC000333568107 389426941 /nfs/dbraw/zinc/42/69/41/389426941.db2.gz IAMHUPOHXWNGGK-XQQFMLRXSA-N 2 2 294.399 0.485 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCN1C(=O)N[C@@H](C)C1=O ZINC000333568107 389426944 /nfs/dbraw/zinc/42/69/44/389426944.db2.gz IAMHUPOHXWNGGK-XQQFMLRXSA-N 2 2 294.399 0.485 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCN1C(=O)N[C@@H](C)C1=O ZINC000333568107 389426947 /nfs/dbraw/zinc/42/69/47/389426947.db2.gz IAMHUPOHXWNGGK-XQQFMLRXSA-N 2 2 294.399 0.485 20 0 CCADLP [NH3+]C[C@H](NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C1CC1 ZINC000422854203 389491856 /nfs/dbraw/zinc/49/18/56/389491856.db2.gz AQYNVVGBJJOUSA-UONOGXRCSA-N 2 2 281.400 0.483 20 0 CCADLP [NH3+]C[C@H](NC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C1CC1 ZINC000422854203 389491858 /nfs/dbraw/zinc/49/18/58/389491858.db2.gz AQYNVVGBJJOUSA-UONOGXRCSA-N 2 2 281.400 0.483 20 0 CCADLP C[C@H]([C@H](C)NC(=O)NC(C)(C)CC[NH3+])[NH+]1CCOCC1 ZINC000422600968 389444387 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O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCC[NH2+]CC1 ZINC000422718311 389458964 /nfs/dbraw/zinc/45/89/64/389458964.db2.gz WYAIPMKNZLLCBC-AWEZNQCLSA-N 2 2 281.400 0.452 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000422727417 389460216 /nfs/dbraw/zinc/46/02/16/389460216.db2.gz HJYOLVMQYSOKDM-CHWSQXEVSA-N 2 2 269.389 0.356 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000422727417 389460220 /nfs/dbraw/zinc/46/02/20/389460220.db2.gz HJYOLVMQYSOKDM-CHWSQXEVSA-N 2 2 269.389 0.356 20 0 CCADLP FC(F)(F)COCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422928399 389507159 /nfs/dbraw/zinc/50/71/59/389507159.db2.gz KIUWYBSSQJUCJG-QWRGUYRKSA-N 2 2 282.306 0.922 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(OCCO)cc1 ZINC000422936782 389508243 /nfs/dbraw/zinc/50/82/43/389508243.db2.gz BVTVWIAROAQRPF-DZGCQCFKSA-N 2 2 294.395 0.914 20 0 CCADLP C[C@@H](CNC(=O)c1c[nH+]ccc1N)CN1CC[NH+](C)CC1 ZINC000275663788 389512731 /nfs/dbraw/zinc/51/27/31/389512731.db2.gz NCUGNHXSPMTEFD-LBPRGKRZSA-N 2 2 291.399 0.277 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000422982163 389516043 /nfs/dbraw/zinc/51/60/43/389516043.db2.gz VTEYSMTYODFIIG-HUUCEWRRSA-N 3 2 268.449 0.602 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000422982163 389516045 /nfs/dbraw/zinc/51/60/45/389516045.db2.gz VTEYSMTYODFIIG-HUUCEWRRSA-N 3 2 268.449 0.602 20 0 CCADLP CCn1cnc2c(c1=O)CC[N@H+](CCCn1cc[nH+]c1)C2 ZINC000373842993 389520656 /nfs/dbraw/zinc/52/06/56/389520656.db2.gz JIVBPINMKUDNEL-UHFFFAOYSA-N 2 2 287.367 0.908 20 0 CCADLP CCn1cnc2c(c1=O)CC[N@@H+](CCCn1cc[nH+]c1)C2 ZINC000373842993 389520661 /nfs/dbraw/zinc/52/06/61/389520661.db2.gz JIVBPINMKUDNEL-UHFFFAOYSA-N 2 2 287.367 0.908 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)[C@H]1CCCC[NH2+]1 ZINC000423040141 389525557 /nfs/dbraw/zinc/52/55/57/389525557.db2.gz GPCOZKRPOTZFSK-WDEREUQCSA-N 2 2 265.361 0.260 20 0 CCADLP CCOC(=O)[C@H](C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174712906 389528286 /nfs/dbraw/zinc/52/82/86/389528286.db2.gz LGVPGKLCWXEULB-ZDUSSCGKSA-N 2 2 271.405 0.507 20 0 CCADLP CCOC(=O)[C@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174712906 389528291 /nfs/dbraw/zinc/52/82/91/389528291.db2.gz LGVPGKLCWXEULB-ZDUSSCGKSA-N 2 2 271.405 0.507 20 0 CCADLP FC(F)(F)OCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423069487 389528866 /nfs/dbraw/zinc/52/88/66/389528866.db2.gz LRAFZAFQZOMGEV-ZJUUUORDSA-N 2 2 268.279 0.879 20 0 CCADLP COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)C[C@H]2COCC[NH2+]2)C1 ZINC000423085673 389531386 /nfs/dbraw/zinc/53/13/86/389531386.db2.gz LCQNMPUZFQTMJR-XQHKEYJVSA-N 2 2 270.373 0.685 20 0 CCADLP CC[C@@H]1CN(CC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CCO1 ZINC000423087854 389531598 /nfs/dbraw/zinc/53/15/98/389531598.db2.gz OUWDPWBOLKBPEJ-BFHYXJOUSA-N 2 2 255.406 0.685 20 0 CCADLP CC[C@@H]1C[N@H+](CCN[C@@H]2C[NH2+]CC[C@@H]2C)CCO1 ZINC000423087854 389531604 /nfs/dbraw/zinc/53/16/04/389531604.db2.gz OUWDPWBOLKBPEJ-BFHYXJOUSA-N 2 2 255.406 0.685 20 0 CCADLP CC[C@@H]1C[N@@H+](CCN[C@@H]2C[NH2+]CC[C@@H]2C)CCO1 ZINC000423087854 389531609 /nfs/dbraw/zinc/53/16/09/389531609.db2.gz OUWDPWBOLKBPEJ-BFHYXJOUSA-N 2 2 255.406 0.685 20 0 CCADLP C[C@H]([NH2+][C@@H]1CC(=O)N2CCCC[C@@H]12)[C@@H]1CCC[NH2+]1 ZINC000423106474 389535142 /nfs/dbraw/zinc/53/51/42/389535142.db2.gz CYJMYADBYRPHCT-RVMXOQNASA-N 2 2 251.374 0.870 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000423114629 389536305 /nfs/dbraw/zinc/53/63/05/389536305.db2.gz LXNALIOSNOSEHS-FVCCEPFGSA-N 2 2 251.374 0.727 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000423112198 389536482 /nfs/dbraw/zinc/53/64/82/389536482.db2.gz RQQUGNRXYFDWTD-IJLUTSLNSA-N 2 2 295.349 0.837 20 0 CCADLP COc1ncccc1CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423141726 389541783 /nfs/dbraw/zinc/54/17/83/389541783.db2.gz RMEAPSQQDAWTRG-CABCVRRESA-N 2 2 291.395 0.989 20 0 CCADLP CCC[N@H+](CC)C[C@@H](C)N[C@@H]1CC[NH2+][C@@H]1C(=O)OCC ZINC000423138339 389541991 /nfs/dbraw/zinc/54/19/91/389541991.db2.gz IWEWZOPDUMKBFX-MCIONIFRSA-N 2 2 285.432 0.990 20 0 CCADLP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1CC[NH2+][C@@H]1C(=O)OCC ZINC000423138339 389541992 /nfs/dbraw/zinc/54/19/92/389541992.db2.gz IWEWZOPDUMKBFX-MCIONIFRSA-N 2 2 285.432 0.990 20 0 CCADLP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000423144766 389543144 /nfs/dbraw/zinc/54/31/44/389543144.db2.gz HWTQEAUTBMWXIY-ZIAGYGMSSA-N 3 2 257.422 0.940 20 0 CCADLP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000423144766 389543149 /nfs/dbraw/zinc/54/31/49/389543149.db2.gz HWTQEAUTBMWXIY-ZIAGYGMSSA-N 3 2 257.422 0.940 20 0 CCADLP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC000423197096 389551364 /nfs/dbraw/zinc/55/13/64/389551364.db2.gz XROZDTADOUMLEC-STQMWFEESA-N 3 2 283.416 0.649 20 0 CCADLP C[C@]1(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CCC[NH2+]C1 ZINC000423352018 389571500 /nfs/dbraw/zinc/57/15/00/389571500.db2.gz ZZHDMKQNPYXDNI-ILXRZTDVSA-N 3 2 267.417 0.733 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000351188550 389567809 /nfs/dbraw/zinc/56/78/09/389567809.db2.gz YCOOSDIXVVZZJQ-QWHCGFSZSA-N 2 2 289.445 0.484 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000351188550 389567813 /nfs/dbraw/zinc/56/78/13/389567813.db2.gz YCOOSDIXVVZZJQ-QWHCGFSZSA-N 2 2 289.445 0.484 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000351188550 389567816 /nfs/dbraw/zinc/56/78/16/389567816.db2.gz YCOOSDIXVVZZJQ-QWHCGFSZSA-N 2 2 289.445 0.484 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000351188550 389567819 /nfs/dbraw/zinc/56/78/19/389567819.db2.gz YCOOSDIXVVZZJQ-QWHCGFSZSA-N 2 2 289.445 0.484 20 0 CCADLP C[C@@H]1C[N@H+](CCO)CCN1c1cc(NC2CC2)[nH+]cn1 ZINC000413330114 389497335 /nfs/dbraw/zinc/49/73/35/389497335.db2.gz YCPDVBCHONKONO-LLVKDONJSA-N 2 2 277.372 0.554 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)CCN1c1cc(NC2CC2)[nH+]cn1 ZINC000413330114 389497337 /nfs/dbraw/zinc/49/73/37/389497337.db2.gz YCPDVBCHONKONO-LLVKDONJSA-N 2 2 277.372 0.554 20 0 CCADLP CC(C)[N@H+]1CCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000334816195 389505093 /nfs/dbraw/zinc/50/50/93/389505093.db2.gz JDOGBQDTUNYBPD-NSHDSACASA-N 2 2 275.343 0.926 20 0 CCADLP COC[C@]1(C[NH2+]Cc2nc(C)ccc2O)CCC[NH2+]1 ZINC000414938935 389646768 /nfs/dbraw/zinc/64/67/68/389646768.db2.gz FRHQUTLGQYLUIP-CQSZACIVSA-N 2 2 265.357 0.954 20 0 CCADLP C[C@@H](CNC(=O)[C@H](C[NH3+])c1ccccc1)[NH+]1CCOCC1 ZINC000178701265 389616471 /nfs/dbraw/zinc/61/64/71/389616471.db2.gz QEXTWJQFLKAYCE-DZGCQCFKSA-N 2 2 291.395 0.566 20 0 CCADLP COc1cc(C)c(C[NH2+]C[C@@H]2C[NH2+]CCN2C)c(C)n1 ZINC000414965711 389647691 /nfs/dbraw/zinc/64/76/91/389647691.db2.gz NRAZTLZDUYWWRI-ZDUSSCGKSA-N 2 2 278.400 0.700 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000414673972 389625632 /nfs/dbraw/zinc/62/56/32/389625632.db2.gz ROPRINUIOHJFQE-STQMWFEESA-N 2 2 291.461 0.621 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000414673972 389625637 /nfs/dbraw/zinc/62/56/37/389625637.db2.gz ROPRINUIOHJFQE-STQMWFEESA-N 2 2 291.461 0.621 20 0 CCADLP CCn1nc(C)c(C[NH2+]CC[NH2+]CCOC)c1C ZINC000414891371 389644228 /nfs/dbraw/zinc/64/42/28/389644228.db2.gz VPCLAGPXIXCALQ-UHFFFAOYSA-N 2 2 254.378 0.845 20 0 CCADLP CNC(=O)C[C@@H](C)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000423415680 389582567 /nfs/dbraw/zinc/58/25/67/389582567.db2.gz FCXQVUPTWIHHPJ-RISCZKNCSA-N 2 2 261.369 0.988 20 0 CCADLP C1CC1[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H]1C[NH2+]CCO1 ZINC000423431611 389586656 /nfs/dbraw/zinc/58/66/56/389586656.db2.gz LYEOYNLYIYGZTC-JJXSEGSLSA-N 3 2 279.428 0.731 20 0 CCADLP [NH3+][C@@H](CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)C1CC1 ZINC000423470697 389591696 /nfs/dbraw/zinc/59/16/96/389591696.db2.gz DKESZHHNZJOBBN-KBPBESRZSA-N 2 2 281.400 0.341 20 0 CCADLP [NH3+][C@@H](CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1)C1CC1 ZINC000423470697 389591702 /nfs/dbraw/zinc/59/17/02/389591702.db2.gz DKESZHHNZJOBBN-KBPBESRZSA-N 2 2 281.400 0.341 20 0 CCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000423510576 389597499 /nfs/dbraw/zinc/59/74/99/389597499.db2.gz MOWHHDLCZGKSTM-UONOGXRCSA-N 2 2 282.432 0.223 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCCCC[NH3+] ZINC000423517391 389599109 /nfs/dbraw/zinc/59/91/09/389599109.db2.gz YOSCXHGYCLAKMR-LBPRGKRZSA-N 2 2 257.378 0.342 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCCCC[NH3+] ZINC000423517391 389599110 /nfs/dbraw/zinc/59/91/10/389599110.db2.gz YOSCXHGYCLAKMR-LBPRGKRZSA-N 2 2 257.378 0.342 20 0 CCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000423525924 389599948 /nfs/dbraw/zinc/59/99/48/389599948.db2.gz YVAPVJREXCKGFQ-ZDUSSCGKSA-N 2 2 298.431 0.043 20 0 CCADLP CCC[C@H]1C[NH2+]CCN1C(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000423525924 389599954 /nfs/dbraw/zinc/59/99/54/389599954.db2.gz YVAPVJREXCKGFQ-ZDUSSCGKSA-N 2 2 298.431 0.043 20 0 CCADLP C([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)[C@@H]1C[NH2+]CCO1 ZINC000423560150 389601372 /nfs/dbraw/zinc/60/13/72/389601372.db2.gz JNSJVDZNRVZZCP-DGAVXFQQSA-N 2 2 266.385 0.912 20 0 CCADLP Cc1ccc(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)c(C)[nH+]1 ZINC000351531122 389606258 /nfs/dbraw/zinc/60/62/58/389606258.db2.gz CSROMJFKQKLLMQ-GFCCVEGCSA-N 2 2 276.340 0.505 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000414967163 389649661 /nfs/dbraw/zinc/64/96/61/389649661.db2.gz PPKKOWBYZZIGIR-QGZVFWFLSA-N 2 2 299.422 0.925 20 0 CCADLP COc1cc2c(cc1C[NH2+]C[C@H]1C[NH2+]CCN1C)OCO2 ZINC000414981970 389650595 /nfs/dbraw/zinc/65/05/95/389650595.db2.gz YKUOAGXFGRFTFV-GFCCVEGCSA-N 2 2 293.367 0.417 20 0 CCADLP CN(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C1CC1 ZINC000179285732 389650978 /nfs/dbraw/zinc/65/09/78/389650978.db2.gz IPVKLINXVJSTPJ-UHFFFAOYSA-N 2 2 268.405 0.816 20 0 CCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCc1[nH+]ccn1C ZINC000336559529 389652120 /nfs/dbraw/zinc/65/21/20/389652120.db2.gz HGLCCNNZHKKJQJ-LBPRGKRZSA-N 2 2 279.388 0.902 20 0 CCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1[nH+]ccn1C ZINC000336559529 389652125 /nfs/dbraw/zinc/65/21/25/389652125.db2.gz HGLCCNNZHKKJQJ-LBPRGKRZSA-N 2 2 279.388 0.902 20 0 CCADLP C[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)C[C@H](O)C[NH3+] ZINC000415062282 389654406 /nfs/dbraw/zinc/65/44/06/389654406.db2.gz XWXJBNLNLJGOFM-CQSZACIVSA-N 2 2 278.331 0.763 20 0 CCADLP C[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)C[C@H](O)C[NH3+] ZINC000415062282 389654408 /nfs/dbraw/zinc/65/44/08/389654408.db2.gz XWXJBNLNLJGOFM-CQSZACIVSA-N 2 2 278.331 0.763 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)CCO1 ZINC000375251487 389654971 /nfs/dbraw/zinc/65/49/71/389654971.db2.gz WAEACOILAQVBMQ-IUODEOHRSA-N 2 2 281.400 0.213 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)CCO1 ZINC000375251487 389654975 /nfs/dbraw/zinc/65/49/75/389654975.db2.gz WAEACOILAQVBMQ-IUODEOHRSA-N 2 2 281.400 0.213 20 0 CCADLP Cc1[nH+]cc(CN(C)C[C@@H](O)C[NH3+])n1-c1ccccc1 ZINC000415066867 389655499 /nfs/dbraw/zinc/65/54/99/389655499.db2.gz JMMDJDVMWVQGBY-HNNXBMFYSA-N 2 2 274.368 0.932 20 0 CCADLP Cc1ncc(C[N@H+](C)C[C@@H](O)C[NH3+])n1-c1ccccc1 ZINC000415066867 389655500 /nfs/dbraw/zinc/65/55/00/389655500.db2.gz JMMDJDVMWVQGBY-HNNXBMFYSA-N 2 2 274.368 0.932 20 0 CCADLP Cc1ncc(C[N@@H+](C)C[C@@H](O)C[NH3+])n1-c1ccccc1 ZINC000415066867 389655501 /nfs/dbraw/zinc/65/55/01/389655501.db2.gz JMMDJDVMWVQGBY-HNNXBMFYSA-N 2 2 274.368 0.932 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2C[NH2+]CCO2)C[C@H]1C ZINC000415098598 389658168 /nfs/dbraw/zinc/65/81/68/389658168.db2.gz WFBOLZXGPIEOQV-XJFOESAGSA-N 2 2 284.400 0.932 20 0 CCADLP COc1cc(C)c(C[NH2+]C[C@@H]2C[NH2+]CCO2)c(C)n1 ZINC000415095747 389658745 /nfs/dbraw/zinc/65/87/45/389658745.db2.gz OAURRFIGCFYMHV-LBPRGKRZSA-N 2 2 265.357 0.785 20 0 CCADLP COCCOc1cccc(C[NH2+]C[C@H]2C[NH2+]CCO2)c1 ZINC000415099953 389659730 /nfs/dbraw/zinc/65/97/30/389659730.db2.gz ZTQFKQUUCAHTPB-OAHLLOKOSA-N 2 2 280.368 0.790 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C2CC2)CC[N@H+]1CCO ZINC000427209932 389680684 /nfs/dbraw/zinc/68/06/84/389680684.db2.gz AHVVVKNLRJXYGM-OCCSQVGLSA-N 2 2 281.400 0.138 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC[NH+]1CCO ZINC000427209932 389680686 /nfs/dbraw/zinc/68/06/86/389680686.db2.gz AHVVVKNLRJXYGM-OCCSQVGLSA-N 2 2 281.400 0.138 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC[NH+]1CCO ZINC000427209932 389680688 /nfs/dbraw/zinc/68/06/88/389680688.db2.gz AHVVVKNLRJXYGM-OCCSQVGLSA-N 2 2 281.400 0.138 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428032947 389685556 /nfs/dbraw/zinc/68/55/56/389685556.db2.gz AEKIKVHJUSIFBF-TUAOUCFPSA-N 2 2 282.388 0.293 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428032947 389685559 /nfs/dbraw/zinc/68/55/59/389685559.db2.gz AEKIKVHJUSIFBF-TUAOUCFPSA-N 2 2 282.388 0.293 20 0 CCADLP CN(C)S(=O)(=O)CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000375574702 389688267 /nfs/dbraw/zinc/68/82/67/389688267.db2.gz QLMGAMHYWSAHHX-UHFFFAOYSA-N 2 2 286.401 0.481 20 0 CCADLP CC[C@@](C)([NH2+]CCC(=O)N1CC[NH+](C)CC1)C(=O)OC ZINC000428309862 389692068 /nfs/dbraw/zinc/69/20/68/389692068.db2.gz MGLYPCLCVWFAHA-CQSZACIVSA-N 2 2 285.388 0.082 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC000415577200 389693668 /nfs/dbraw/zinc/69/36/68/389693668.db2.gz YTGOSFYTDFHPSO-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[NH+](CCO)[C@H](C)C1 ZINC000428520316 389704427 /nfs/dbraw/zinc/70/44/27/389704427.db2.gz GSOAHSKTKZPLHK-HZSPNIEDSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[NH+](CCO)[C@H](C)C1 ZINC000428520316 389704429 /nfs/dbraw/zinc/70/44/29/389704429.db2.gz GSOAHSKTKZPLHK-HZSPNIEDSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000428520316 389704430 /nfs/dbraw/zinc/70/44/30/389704430.db2.gz GSOAHSKTKZPLHK-HZSPNIEDSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000428520316 389704432 /nfs/dbraw/zinc/70/44/32/389704432.db2.gz GSOAHSKTKZPLHK-HZSPNIEDSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCN(c2cccnn2)CC1 ZINC000428566966 389707234 /nfs/dbraw/zinc/70/72/34/389707234.db2.gz QDUDBNAKCHTOFV-JSGCOSHPSA-N 2 2 275.400 0.985 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCN(c2cccnn2)CC1 ZINC000428566966 389707236 /nfs/dbraw/zinc/70/72/36/389707236.db2.gz QDUDBNAKCHTOFV-JSGCOSHPSA-N 2 2 275.400 0.985 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)N1CCCCC1 ZINC000377849982 389754150 /nfs/dbraw/zinc/75/41/50/389754150.db2.gz LKQGQACTBBCOFK-HNNXBMFYSA-N 2 2 295.427 0.653 20 0 CCADLP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)N1CCCCC1 ZINC000377849982 389754153 /nfs/dbraw/zinc/75/41/53/389754153.db2.gz LKQGQACTBBCOFK-HNNXBMFYSA-N 2 2 295.427 0.653 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000429399861 389754804 /nfs/dbraw/zinc/75/48/04/389754804.db2.gz CRAHPMVGSQGEQC-LBPRGKRZSA-N 2 2 271.386 0.558 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000429399861 389754807 /nfs/dbraw/zinc/75/48/07/389754807.db2.gz CRAHPMVGSQGEQC-LBPRGKRZSA-N 2 2 271.386 0.558 20 0 CCADLP C[C@H](C(=O)NCC[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000429406968 389754922 /nfs/dbraw/zinc/75/49/22/389754922.db2.gz PVZSEEIJHPXRTJ-CHWSQXEVSA-N 2 2 269.389 0.213 20 0 CCADLP CCN1C[C@H]([NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1=O ZINC000391606468 389773098 /nfs/dbraw/zinc/77/30/98/389773098.db2.gz LUDORJPRAUUAQZ-GRYCIOLGSA-N 2 2 251.374 0.822 20 0 CCADLP CCN1C[C@H]([NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1=O ZINC000391606468 389773102 /nfs/dbraw/zinc/77/31/02/389773102.db2.gz LUDORJPRAUUAQZ-GRYCIOLGSA-N 2 2 251.374 0.822 20 0 CCADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000416834346 389775486 /nfs/dbraw/zinc/77/54/86/389775486.db2.gz WYJLHLLTOTYUJR-RYUDHWBXSA-N 2 2 284.404 0.228 20 0 CCADLP [NH3+]C1(CNC(=O)NCCn2cc[nH+]c2)CCCCC1 ZINC000416857242 389776561 /nfs/dbraw/zinc/77/65/61/389776561.db2.gz RWNVGFNJZURTFB-UHFFFAOYSA-N 2 2 265.361 0.844 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000416867289 389777571 /nfs/dbraw/zinc/77/75/71/389777571.db2.gz HPQGVIOGIMBPSN-NXEZZACHSA-N 2 2 261.329 0.869 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000416877537 389778249 /nfs/dbraw/zinc/77/82/49/389778249.db2.gz WPRAXOBXJZMIBZ-SNVBAGLBSA-N 2 2 261.329 0.871 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000417020396 389790538 /nfs/dbraw/zinc/79/05/38/389790538.db2.gz SAUCMLOQQOEONP-LLVKDONJSA-N 2 2 279.388 0.802 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000417044506 389791557 /nfs/dbraw/zinc/79/15/57/389791557.db2.gz YQSCKWHWISTANL-MCIONIFRSA-N 2 2 298.431 0.618 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[NH+]1CCOCC1)[C@H](C)[NH3+] ZINC000399468275 389791896 /nfs/dbraw/zinc/79/18/96/389791896.db2.gz XVOSBPSUDKENME-NWDGAFQWSA-N 2 2 257.378 0.054 20 0 CCADLP [NH3+]CC(F)(F)CNC(=O)NCCCNc1cccc[nH+]1 ZINC000417075110 389793677 /nfs/dbraw/zinc/79/36/77/389793677.db2.gz JHEKVGMYXIJUGW-UHFFFAOYSA-N 2 2 287.314 0.777 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416314585 389733441 /nfs/dbraw/zinc/73/34/41/389733441.db2.gz SVRAQLGXOJHVOU-NWDGAFQWSA-N 2 2 280.372 0.105 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000416314585 389733444 /nfs/dbraw/zinc/73/34/44/389733444.db2.gz SVRAQLGXOJHVOU-NWDGAFQWSA-N 2 2 280.372 0.105 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416314584 389733520 /nfs/dbraw/zinc/73/35/20/389733520.db2.gz SVRAQLGXOJHVOU-NEPJUHHUSA-N 2 2 280.372 0.105 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416314584 389733521 /nfs/dbraw/zinc/73/35/21/389733521.db2.gz SVRAQLGXOJHVOU-NEPJUHHUSA-N 2 2 280.372 0.105 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCC[NH+]1CCOCC1 ZINC000416432652 389742543 /nfs/dbraw/zinc/74/25/43/389742543.db2.gz LMAGRFAHQCIHHW-CHWSQXEVSA-N 2 2 284.404 0.230 20 0 CCADLP COCC(C)(C)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000429241449 389747142 /nfs/dbraw/zinc/74/71/42/389747142.db2.gz MEQSSCUMUNBMRQ-UHFFFAOYSA-N 2 2 257.378 0.117 20 0 CCADLP COCC(C)(C)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000429241449 389747145 /nfs/dbraw/zinc/74/71/45/389747145.db2.gz MEQSSCUMUNBMRQ-UHFFFAOYSA-N 2 2 257.378 0.117 20 0 CCADLP CCCC[N@H+](C)CCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000352386731 389801936 /nfs/dbraw/zinc/80/19/36/389801936.db2.gz FSLZWOSKCUZNIF-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP CCCC[N@@H+](C)CCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000352386731 389801937 /nfs/dbraw/zinc/80/19/37/389801937.db2.gz FSLZWOSKCUZNIF-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000430550510 389806855 /nfs/dbraw/zinc/80/68/55/389806855.db2.gz GPSHYMPVHBDACQ-OUCADQQQSA-N 2 2 291.399 0.585 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000430550510 389806858 /nfs/dbraw/zinc/80/68/58/389806858.db2.gz GPSHYMPVHBDACQ-OUCADQQQSA-N 2 2 291.399 0.585 20 0 CCADLP C[C@H]1CCCN(CCC[NH+]2CCOCC2)[C@@H]1C[NH3+] ZINC000430555523 389807859 /nfs/dbraw/zinc/80/78/59/389807859.db2.gz ITNYFPVLGTUYPR-UONOGXRCSA-N 2 2 255.406 0.768 20 0 CCADLP Cc1nn(C)c(C)c1NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000430568917 389808363 /nfs/dbraw/zinc/80/83/63/389808363.db2.gz KXZFYGCYCDPGOQ-CQSZACIVSA-N 2 2 281.404 0.938 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NCC2CCC2)C1 ZINC000430571013 389808369 /nfs/dbraw/zinc/80/83/69/389808369.db2.gz HLZSJUSCGCPNRT-WCQYABFASA-N 2 2 253.390 0.962 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC000430571013 389808373 /nfs/dbraw/zinc/80/83/73/389808373.db2.gz HLZSJUSCGCPNRT-WCQYABFASA-N 2 2 253.390 0.962 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccns2)CC1 ZINC000404299757 389810675 /nfs/dbraw/zinc/81/06/75/389810675.db2.gz FQIKSSZQVIDRCO-UHFFFAOYSA-N 2 2 254.359 0.007 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)n(C)n1 ZINC000430600881 389811255 /nfs/dbraw/zinc/81/12/55/389811255.db2.gz ZAHOJQZEIMAXRB-NWDGAFQWSA-N 2 2 279.388 0.726 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)n(C)n1 ZINC000430600881 389811256 /nfs/dbraw/zinc/81/12/56/389811256.db2.gz ZAHOJQZEIMAXRB-NWDGAFQWSA-N 2 2 279.388 0.726 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCCc2[nH+]ccn21)[NH+]1CCOCC1 ZINC000352496864 389819158 /nfs/dbraw/zinc/81/91/58/389819158.db2.gz AOXXABCPUNXKDA-STQMWFEESA-N 2 2 292.383 0.597 20 0 CCADLP C[NH2+][C@@H]1CCCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000417513628 389824350 /nfs/dbraw/zinc/82/43/50/389824350.db2.gz YVHRTEFGXOJXRV-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH2+][C@@H]1CCCN(C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000417513628 389824353 /nfs/dbraw/zinc/82/43/53/389824353.db2.gz YVHRTEFGXOJXRV-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH2+]CCCNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000417517979 389824796 /nfs/dbraw/zinc/82/47/96/389824796.db2.gz JZSZQQHKQGDXGL-VXGBXAGGSA-N 2 2 272.393 0.004 20 0 CCADLP C[C@@H](CCCC[NH3+])NC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000417518158 389825038 /nfs/dbraw/zinc/82/50/38/389825038.db2.gz RXJZJSNVLGERQD-STQMWFEESA-N 2 2 286.420 0.524 20 0 CCADLP C[C@@H](CCCC[NH3+])NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000417518158 389825042 /nfs/dbraw/zinc/82/50/42/389825042.db2.gz RXJZJSNVLGERQD-STQMWFEESA-N 2 2 286.420 0.524 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N1CC[NH2+]C(C)(C)C1)[NH+]1CCOCC1 ZINC000417519592 389826074 /nfs/dbraw/zinc/82/60/74/389826074.db2.gz MTCNDKYKZOETNQ-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP CCC[C@H]1C[NH2+]CCN1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000417529618 389827366 /nfs/dbraw/zinc/82/73/66/389827366.db2.gz QYSMUMCECWFHAY-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[C@H]1C[NH2+]CCN1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000417529618 389827369 /nfs/dbraw/zinc/82/73/69/389827369.db2.gz QYSMUMCECWFHAY-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000441353300 389832081 /nfs/dbraw/zinc/83/20/81/389832081.db2.gz ZCBMDDRSISAUCA-CABCVRRESA-N 3 2 282.476 0.942 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000441353300 389832083 /nfs/dbraw/zinc/83/20/83/389832083.db2.gz ZCBMDDRSISAUCA-CABCVRRESA-N 3 2 282.476 0.942 20 0 CCADLP CC[NH+]1C[C@@H](C)[C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000441353300 389832084 /nfs/dbraw/zinc/83/20/84/389832084.db2.gz ZCBMDDRSISAUCA-CABCVRRESA-N 3 2 282.476 0.942 20 0 CCADLP CC[NH+]1C[C@@H](C)[C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000441353300 389832086 /nfs/dbraw/zinc/83/20/86/389832086.db2.gz ZCBMDDRSISAUCA-CABCVRRESA-N 3 2 282.476 0.942 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC([C@H](C)[NH3+])CC2)CC1 ZINC000430915530 389833890 /nfs/dbraw/zinc/83/38/90/389833890.db2.gz CZDNXOOPNQXJQO-UONOGXRCSA-N 3 2 296.459 0.598 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+]([C@@H]2CCCN(c3ccn(C)n3)C2=O)C1 ZINC000430924191 389835157 /nfs/dbraw/zinc/83/51/57/389835157.db2.gz IBJHUSNWCLLJQY-CHWSQXEVSA-N 2 2 291.399 0.457 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+]([C@@H]2CCCN(c3ccn(C)n3)C2=O)C1 ZINC000430924191 389835158 /nfs/dbraw/zinc/83/51/58/389835158.db2.gz IBJHUSNWCLLJQY-CHWSQXEVSA-N 2 2 291.399 0.457 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NCCOCCC(C)C)C1 ZINC000430930229 389836889 /nfs/dbraw/zinc/83/68/89/389836889.db2.gz XMGKGDFTZFTSBH-AWEZNQCLSA-N 2 2 285.432 0.707 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NCCOCCC(C)C)C1 ZINC000430930229 389836890 /nfs/dbraw/zinc/83/68/90/389836890.db2.gz XMGKGDFTZFTSBH-AWEZNQCLSA-N 2 2 285.432 0.707 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430958044 389839815 /nfs/dbraw/zinc/83/98/15/389839815.db2.gz WFABPGLCHXCFJC-STQMWFEESA-N 2 2 271.405 0.588 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430958044 389839817 /nfs/dbraw/zinc/83/98/17/389839817.db2.gz WFABPGLCHXCFJC-STQMWFEESA-N 2 2 271.405 0.588 20 0 CCADLP COCC[NH2+]CC(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000431000481 389843106 /nfs/dbraw/zinc/84/31/06/389843106.db2.gz DXOOIFJTSBINGZ-UHFFFAOYSA-N 2 2 252.318 0.322 20 0 CCADLP C[NH2+]CCCC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000430999897 389843514 /nfs/dbraw/zinc/84/35/14/389843514.db2.gz BBLYUHTZDIILLB-UHFFFAOYSA-N 2 2 265.361 0.054 20 0 CCADLP C[C@@H](CC(=O)NC[C@H]1CN(C)CC[N@@H+]1C)C1CC[NH2+]CC1 ZINC000431018213 389844839 /nfs/dbraw/zinc/84/48/39/389844839.db2.gz VKVKPZXNMURWBD-ZFWWWQNUSA-N 2 2 296.459 0.374 20 0 CCADLP C[C@@H](CC(=O)NC[C@H]1CN(C)CC[N@H+]1C)C1CC[NH2+]CC1 ZINC000431018213 389844841 /nfs/dbraw/zinc/84/48/41/389844841.db2.gz VKVKPZXNMURWBD-ZFWWWQNUSA-N 2 2 296.459 0.374 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(Cc2c[nH+]cn2CC)CC1 ZINC000417805768 389851099 /nfs/dbraw/zinc/85/10/99/389851099.db2.gz FBDAIXGXNZVGOG-CYBMUJFWSA-N 2 2 266.389 0.792 20 0 CCADLP Cc1nc(C)n(C[C@@H]2CCC[N@@H+](C[C@@H](C)[NH3+])C2)n1 ZINC000442655578 389853586 /nfs/dbraw/zinc/85/35/86/389853586.db2.gz CSASJAJPCFWNEZ-ZWNOBZJWSA-N 2 2 251.378 0.954 20 0 CCADLP Cc1nc(C)n(C[C@@H]2CCC[N@H+](C[C@@H](C)[NH3+])C2)n1 ZINC000442655578 389853588 /nfs/dbraw/zinc/85/35/88/389853588.db2.gz CSASJAJPCFWNEZ-ZWNOBZJWSA-N 2 2 251.378 0.954 20 0 CCADLP C[C@@H]([NH3+])CN1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000442658447 389854134 /nfs/dbraw/zinc/85/41/34/389854134.db2.gz JBALNHGJTQCUDQ-CQSZACIVSA-N 2 2 290.411 0.268 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)NC[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000417842804 389855539 /nfs/dbraw/zinc/85/55/39/389855539.db2.gz UUYRQURRKYSBBU-GMTAPVOTSA-N 2 2 275.343 0.736 20 0 CCADLP COCCc1noc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)n1 ZINC000442763703 389861383 /nfs/dbraw/zinc/86/13/83/389861383.db2.gz JAUGPRHIJNUWHY-ZJUUUORDSA-N 2 2 254.334 0.428 20 0 CCADLP COCCc1noc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)n1 ZINC000442763703 389861386 /nfs/dbraw/zinc/86/13/86/389861386.db2.gz JAUGPRHIJNUWHY-ZJUUUORDSA-N 2 2 254.334 0.428 20 0 CCADLP C[N@@H+]1CC[C@H](NC(=O)NCC[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000417951372 389862496 /nfs/dbraw/zinc/86/24/96/389862496.db2.gz LJPDWCINJUSCRD-STQMWFEESA-N 2 2 298.337 0.968 20 0 CCADLP C[N@H+]1CC[C@H](NC(=O)NCC[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000417951372 389862497 /nfs/dbraw/zinc/86/24/97/389862497.db2.gz LJPDWCINJUSCRD-STQMWFEESA-N 2 2 298.337 0.968 20 0 CCADLP [NH3+]CCNC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000418044036 389867838 /nfs/dbraw/zinc/86/78/38/389867838.db2.gz DFMFPGYUMHMPQF-UHFFFAOYSA-N 2 2 296.802 0.956 20 0 CCADLP [NH3+]CCNC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000418044036 389867839 /nfs/dbraw/zinc/86/78/39/389867839.db2.gz DFMFPGYUMHMPQF-UHFFFAOYSA-N 2 2 296.802 0.956 20 0 CCADLP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1cc[nH+]c(N(C)C)n1 ZINC000419008929 389886245 /nfs/dbraw/zinc/88/62/45/389886245.db2.gz UXMGVKGFNCHYMA-RYUDHWBXSA-N 2 2 279.388 0.434 20 0 CCADLP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1c1cc[nH+]c(N(C)C)n1 ZINC000419008929 389886247 /nfs/dbraw/zinc/88/62/47/389886247.db2.gz UXMGVKGFNCHYMA-RYUDHWBXSA-N 2 2 279.388 0.434 20 0 CCADLP O=C(Nc1ccccc1C[NH+]1CCOCC1)[C@H]1CC[NH2+]1 ZINC000444167101 389893615 /nfs/dbraw/zinc/89/36/15/389893615.db2.gz LEQNMFUUAWEPLX-CQSZACIVSA-N 2 2 275.352 0.819 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)c1coc(C[NH3+])c1 ZINC000444175796 389894867 /nfs/dbraw/zinc/89/48/67/389894867.db2.gz LZRKZOYWLDGFBZ-JTQLQIEISA-N 2 2 267.329 0.189 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)c1coc(C[NH3+])c1 ZINC000444175796 389894869 /nfs/dbraw/zinc/89/48/69/389894869.db2.gz LZRKZOYWLDGFBZ-JTQLQIEISA-N 2 2 267.329 0.189 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000356265690 285351743 /nfs/dbraw/zinc/35/17/43/285351743.db2.gz XLHVCTKEUJRGBC-HOCLYGCPSA-N 2 2 295.427 0.651 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000356265690 285351749 /nfs/dbraw/zinc/35/17/49/285351749.db2.gz XLHVCTKEUJRGBC-HOCLYGCPSA-N 2 2 295.427 0.651 20 0 CCADLP CC[NH+]1CCOC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000356265690 285351753 /nfs/dbraw/zinc/35/17/53/285351753.db2.gz XLHVCTKEUJRGBC-HOCLYGCPSA-N 2 2 295.427 0.651 20 0 CCADLP CC[NH+]1CCOC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000356265690 285351757 /nfs/dbraw/zinc/35/17/57/285351757.db2.gz XLHVCTKEUJRGBC-HOCLYGCPSA-N 2 2 295.427 0.651 20 0 CCADLP CNC(=O)N[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000444633955 389911653 /nfs/dbraw/zinc/91/16/53/389911653.db2.gz FROHWEMQMBIJAP-ZDUSSCGKSA-N 2 2 268.405 0.866 20 0 CCADLP CNC(=O)N[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000444633955 389911656 /nfs/dbraw/zinc/91/16/56/389911656.db2.gz FROHWEMQMBIJAP-ZDUSSCGKSA-N 2 2 268.405 0.866 20 0 CCADLP C[C@@H](C[N@H+](C)[C@H]1CCC[NH2+]CC1)CS(C)(=O)=O ZINC000435622688 389959378 /nfs/dbraw/zinc/95/93/78/389959378.db2.gz FLHVNAQUTXBRRT-RYUDHWBXSA-N 2 2 262.419 0.741 20 0 CCADLP C[C@@H](C[N@@H+](C)[C@H]1CCC[NH2+]CC1)CS(C)(=O)=O ZINC000435622688 389959379 /nfs/dbraw/zinc/95/93/79/389959379.db2.gz FLHVNAQUTXBRRT-RYUDHWBXSA-N 2 2 262.419 0.741 20 0 CCADLP CCCCOCCNC(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435623400 389959428 /nfs/dbraw/zinc/95/94/28/389959428.db2.gz UTZCVIAXJYTYSN-AWEZNQCLSA-N 2 2 285.432 0.993 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435623400 389959429 /nfs/dbraw/zinc/95/94/29/389959429.db2.gz UTZCVIAXJYTYSN-AWEZNQCLSA-N 2 2 285.432 0.993 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000447659752 389962102 /nfs/dbraw/zinc/96/21/02/389962102.db2.gz PRDMNNOLTPPZDQ-ZFWWWQNUSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000447659752 389962103 /nfs/dbraw/zinc/96/21/03/389962103.db2.gz PRDMNNOLTPPZDQ-ZFWWWQNUSA-N 2 2 295.427 0.792 20 0 CCADLP C=Cn1cc(C[N@@H+](C)C2CC[NH+](CCO)CC2)cn1 ZINC000447744838 389963299 /nfs/dbraw/zinc/96/32/99/389963299.db2.gz LMPMRTINIKTHBL-UHFFFAOYSA-N 2 2 264.373 0.872 20 0 CCADLP C=Cn1cc(C[N@H+](C)C2CC[NH+](CCO)CC2)cn1 ZINC000447744838 389963302 /nfs/dbraw/zinc/96/33/02/389963302.db2.gz LMPMRTINIKTHBL-UHFFFAOYSA-N 2 2 264.373 0.872 20 0 CCADLP [NH3+][C@@H]1CCCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C1 ZINC000420238651 389970986 /nfs/dbraw/zinc/97/09/86/389970986.db2.gz ODVRQHXGNFQJIQ-CHWSQXEVSA-N 2 2 291.399 0.755 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCN(CC(F)F)C2)n1C ZINC000419835427 389921311 /nfs/dbraw/zinc/92/13/11/389921311.db2.gz AELOHDFLVSELFM-JTQLQIEISA-N 2 2 287.358 0.915 20 0 CCADLP CC(C)c1ncc2c(n1)CC[N@@H+](CCOCC[NH3+])C2 ZINC000527616629 285354486 /nfs/dbraw/zinc/35/44/86/285354486.db2.gz JAKOBSCPCOLJQI-UHFFFAOYSA-N 2 2 264.373 0.933 20 0 CCADLP CC(C)c1ncc2c(n1)CC[N@H+](CCOCC[NH3+])C2 ZINC000527616629 285354489 /nfs/dbraw/zinc/35/44/89/285354489.db2.gz JAKOBSCPCOLJQI-UHFFFAOYSA-N 2 2 264.373 0.933 20 0 CCADLP COC(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000420292718 389978955 /nfs/dbraw/zinc/97/89/55/389978955.db2.gz LZTZPGJCCLYGRN-NSHDSACASA-N 2 2 291.351 0.692 20 0 CCADLP COC(=O)c1cccc(NC(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000420292718 389978957 /nfs/dbraw/zinc/97/89/57/389978957.db2.gz LZTZPGJCCLYGRN-NSHDSACASA-N 2 2 291.351 0.692 20 0 CCADLP C[NH2+]CC[N@H+](C)CCC(=O)NC(=O)NCc1ccccc1 ZINC000420339187 389985634 /nfs/dbraw/zinc/98/56/34/389985634.db2.gz PIMBLEXEMFZNNA-UHFFFAOYSA-N 2 2 292.383 0.554 20 0 CCADLP C[NH2+]CC[N@@H+](C)CCC(=O)NC(=O)NCc1ccccc1 ZINC000420339187 389985636 /nfs/dbraw/zinc/98/56/36/389985636.db2.gz PIMBLEXEMFZNNA-UHFFFAOYSA-N 2 2 292.383 0.554 20 0 CCADLP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420348553 389987912 /nfs/dbraw/zinc/98/79/12/389987912.db2.gz ADTZECIHDCXGCZ-WDMOLILDSA-N 2 2 297.374 0.643 20 0 CCADLP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420348553 389987914 /nfs/dbraw/zinc/98/79/14/389987914.db2.gz ADTZECIHDCXGCZ-WDMOLILDSA-N 2 2 297.374 0.643 20 0 CCADLP C[C@@H](C(=O)NCc1ccc(F)cc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420349750 389988483 /nfs/dbraw/zinc/98/84/83/389988483.db2.gz DSPKAVYWNANFSY-GWCFXTLKSA-N 2 2 283.347 0.082 20 0 CCADLP C[C@@H](C(=O)NCc1ccc(F)cc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420349750 389988486 /nfs/dbraw/zinc/98/84/86/389988486.db2.gz DSPKAVYWNANFSY-GWCFXTLKSA-N 2 2 283.347 0.082 20 0 CCADLP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420359222 389991348 /nfs/dbraw/zinc/99/13/48/389991348.db2.gz VFJROKCUXVIYOE-AGIUHOORSA-N 2 2 271.405 0.275 20 0 CCADLP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420359222 389991351 /nfs/dbraw/zinc/99/13/51/389991351.db2.gz VFJROKCUXVIYOE-AGIUHOORSA-N 2 2 271.405 0.275 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C)C[C@H](C)O1 ZINC000420364937 389992499 /nfs/dbraw/zinc/99/24/99/389992499.db2.gz PORANJIEXHTYCS-TUAOUCFPSA-N 2 2 271.405 0.585 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000449443707 389994057 /nfs/dbraw/zinc/99/40/57/389994057.db2.gz VBAFPZMLJKCLCF-QJPTWQEYSA-N 2 2 289.445 0.529 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000449443707 389994061 /nfs/dbraw/zinc/99/40/61/389994061.db2.gz VBAFPZMLJKCLCF-QJPTWQEYSA-N 2 2 289.445 0.529 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)NCc1cccnc1 ZINC000420378861 389994781 /nfs/dbraw/zinc/99/47/81/389994781.db2.gz XHVXBNKDBWVJET-TYNCELHUSA-N 2 2 276.384 0.674 20 0 CCADLP CCOC(=O)C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420380893 389994872 /nfs/dbraw/zinc/99/48/72/389994872.db2.gz OOUCSQNUTXSUJO-TZMCWYRMSA-N 2 2 270.373 0.768 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccncc2)C[C@@H]1C[NH3+] ZINC000420390672 389996275 /nfs/dbraw/zinc/99/62/75/389996275.db2.gz ACVOZCQIENIAHU-RYUDHWBXSA-N 2 2 262.357 0.359 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccncc2)C[C@@H]1C[NH3+] ZINC000420390672 389996276 /nfs/dbraw/zinc/99/62/76/389996276.db2.gz ACVOZCQIENIAHU-RYUDHWBXSA-N 2 2 262.357 0.359 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)NCC2CCCCC2)CCCO1 ZINC000420396741 389996625 /nfs/dbraw/zinc/99/66/25/389996625.db2.gz WHZWQRNJFFKSBE-CQSZACIVSA-N 2 2 283.416 0.733 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NCC2CCCCC2)CCCO1 ZINC000420396741 389996626 /nfs/dbraw/zinc/99/66/26/389996626.db2.gz WHZWQRNJFFKSBE-CQSZACIVSA-N 2 2 283.416 0.733 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000420419774 389999799 /nfs/dbraw/zinc/99/97/99/389999799.db2.gz XRGSASQDKYMJDO-ILXRZTDVSA-N 3 2 296.459 0.456 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000420419774 389999802 /nfs/dbraw/zinc/99/98/02/389999802.db2.gz XRGSASQDKYMJDO-ILXRZTDVSA-N 3 2 296.459 0.456 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000420792651 390032551 /nfs/dbraw/zinc/03/25/51/390032551.db2.gz BAENKCAYGHJHAP-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000420792651 390032552 /nfs/dbraw/zinc/03/25/52/390032552.db2.gz BAENKCAYGHJHAP-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000420792651 390032554 /nfs/dbraw/zinc/03/25/54/390032554.db2.gz BAENKCAYGHJHAP-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000420792651 390032556 /nfs/dbraw/zinc/03/25/56/390032556.db2.gz BAENKCAYGHJHAP-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N(C)C[C@H]1CCC[NH+]1C ZINC000420792652 390032628 /nfs/dbraw/zinc/03/26/28/390032628.db2.gz BAENKCAYGHJHAP-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N(C)C[C@H]1CCC[NH+]1C ZINC000420792652 390032629 /nfs/dbraw/zinc/03/26/29/390032629.db2.gz BAENKCAYGHJHAP-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000420792652 390032630 /nfs/dbraw/zinc/03/26/30/390032630.db2.gz BAENKCAYGHJHAP-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000420792652 390032631 /nfs/dbraw/zinc/03/26/31/390032631.db2.gz BAENKCAYGHJHAP-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000420801376 390033101 /nfs/dbraw/zinc/03/31/01/390033101.db2.gz OPAWEDSCSPSXKW-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000420801376 390033102 /nfs/dbraw/zinc/03/31/02/390033102.db2.gz OPAWEDSCSPSXKW-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@@H]1CN(CC[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CCO1 ZINC000487190486 390084944 /nfs/dbraw/zinc/08/49/44/390084944.db2.gz QYXMEPKOSCISFJ-MJBXVCDLSA-N 2 2 255.406 0.637 20 0 CCADLP CC[C@@H]1CN(CC[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CCO1 ZINC000487190486 390084945 /nfs/dbraw/zinc/08/49/45/390084945.db2.gz QYXMEPKOSCISFJ-MJBXVCDLSA-N 2 2 255.406 0.637 20 0 CCADLP Cc1nc(N(C)[C@@H]2CC[N@@H+](C3CC3)C2)nc(N(C)C)[nH+]1 ZINC000488420151 390093687 /nfs/dbraw/zinc/09/36/87/390093687.db2.gz PTBITGUIFFDQRZ-GFCCVEGCSA-N 2 2 276.388 0.919 20 0 CCADLP Cc1nc(N(C)[C@@H]2CC[N@H+](C3CC3)C2)nc(N(C)C)[nH+]1 ZINC000488420151 390093688 /nfs/dbraw/zinc/09/36/88/390093688.db2.gz PTBITGUIFFDQRZ-GFCCVEGCSA-N 2 2 276.388 0.919 20 0 CCADLP Cc1nc(N2CCC([NH+](C)C)CC2)nc(N(C)C)[nH+]1 ZINC000488408390 390093697 /nfs/dbraw/zinc/09/36/97/390093697.db2.gz FNIJFLVNHGCMHE-UHFFFAOYSA-N 2 2 264.377 0.776 20 0 CCADLP Cc1nc(N(C)C)nc(N2CCC([NH+](C)C)CC2)[nH+]1 ZINC000488408390 390093698 /nfs/dbraw/zinc/09/36/98/390093698.db2.gz FNIJFLVNHGCMHE-UHFFFAOYSA-N 2 2 264.377 0.776 20 0 CCADLP Cc1nc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000488428693 390093930 /nfs/dbraw/zinc/09/39/30/390093930.db2.gz DCNDMCDZPJNPJE-ONGXEEELSA-N 2 2 264.377 0.563 20 0 CCADLP Cc1nc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000488428693 390093931 /nfs/dbraw/zinc/09/39/31/390093931.db2.gz DCNDMCDZPJNPJE-ONGXEEELSA-N 2 2 264.377 0.563 20 0 CCADLP C[C@@H](CNC(=O)NCCc1cn(C)c[nH+]1)[N@H+](C)C1CC1 ZINC000458297759 390054942 /nfs/dbraw/zinc/05/49/42/390054942.db2.gz SXWRWGSSYGJLHP-NSHDSACASA-N 2 2 279.388 0.745 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+]([C@@H]2CCCN(C)C2=O)CC1 ZINC000537610324 390182777 /nfs/dbraw/zinc/18/27/77/390182777.db2.gz MMLHQPIOUHGGDE-GFCCVEGCSA-N 2 2 277.372 0.163 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000493812692 390127877 /nfs/dbraw/zinc/12/78/77/390127877.db2.gz CFSPWRSHJLGSFL-DRHCNIFCSA-N 2 2 292.383 0.881 20 0 CCADLP O=C(CC1CC[NH2+]CC1)NCCNc1cccc[nH+]1 ZINC000579003301 390133471 /nfs/dbraw/zinc/13/34/71/390133471.db2.gz DUMKQUUFSRDKLJ-UHFFFAOYSA-N 2 2 262.357 0.999 20 0 CCADLP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)C1CC[NH+](CC(F)F)CC1 ZINC000644142767 390145019 /nfs/dbraw/zinc/14/50/19/390145019.db2.gz GFMKHOONTHXHOL-QWRGUYRKSA-N 2 2 293.333 0.780 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000644150405 390147988 /nfs/dbraw/zinc/14/79/88/390147988.db2.gz WNYLYIUCIVGEDS-SRVKXCTJSA-N 2 2 262.357 0.760 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536069037 390156612 /nfs/dbraw/zinc/15/66/12/390156612.db2.gz SFIBPCKDCXCRCP-NSHDSACASA-N 2 2 293.371 0.445 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000536069037 390156615 /nfs/dbraw/zinc/15/66/15/390156615.db2.gz SFIBPCKDCXCRCP-NSHDSACASA-N 2 2 293.371 0.445 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@H]2CC[C@@H](CO)C2)C[C@@H](C)O1 ZINC000579473535 390176741 /nfs/dbraw/zinc/17/67/41/390176741.db2.gz ZAVWCKVHUNWRPY-ARILJUKYSA-N 2 2 286.416 0.207 20 0 CCADLP Cc1[nH+]ccn1CCCNc1[nH+]cnc2c1OCCN2 ZINC000647869666 390200122 /nfs/dbraw/zinc/20/01/22/390200122.db2.gz ONGDLELYZTXLCT-UHFFFAOYSA-N 2 2 274.328 0.401 20 0 CCADLP Cc1[nH+]ccn1CCCNc1nc[nH+]c2c1OCCN2 ZINC000647869666 390200125 /nfs/dbraw/zinc/20/01/25/390200125.db2.gz ONGDLELYZTXLCT-UHFFFAOYSA-N 2 2 274.328 0.401 20 0 CCADLP CCC[N@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC000647872203 390201640 /nfs/dbraw/zinc/20/16/40/390201640.db2.gz GNRCTBJNXZVJTL-RYUDHWBXSA-N 2 2 260.403 0.495 20 0 CCADLP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC000647872203 390201644 /nfs/dbraw/zinc/20/16/44/390201644.db2.gz GNRCTBJNXZVJTL-RYUDHWBXSA-N 2 2 260.403 0.495 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CS(=O)(=O)CCO2)[C@@H](C)C1 ZINC000539066812 390202012 /nfs/dbraw/zinc/20/20/12/390202012.db2.gz QUMOZGDGFFAMSJ-AVGNSLFASA-N 2 2 290.429 0.120 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CS(=O)(=O)CCO2)[C@@H](C)C1 ZINC000539066812 390202016 /nfs/dbraw/zinc/20/20/16/390202016.db2.gz QUMOZGDGFFAMSJ-AVGNSLFASA-N 2 2 290.429 0.120 20 0 CCADLP CCCC[N@@H+](CC(N)=O)C[C@@H](O)C[NH+](C)C(C)C ZINC000647958838 390228383 /nfs/dbraw/zinc/22/83/83/390228383.db2.gz GSECUZIOBJMEIG-LBPRGKRZSA-N 2 2 259.394 0.275 20 0 CCADLP CCCC[N@H+](CC(N)=O)C[C@@H](O)C[NH+](C)C(C)C ZINC000647958838 390228384 /nfs/dbraw/zinc/22/83/84/390228384.db2.gz GSECUZIOBJMEIG-LBPRGKRZSA-N 2 2 259.394 0.275 20 0 CCADLP CCCC[NH+](CC(N)=O)C[C@@H](O)C[N@H+](C)C(C)C ZINC000647958838 390228387 /nfs/dbraw/zinc/22/83/87/390228387.db2.gz GSECUZIOBJMEIG-LBPRGKRZSA-N 2 2 259.394 0.275 20 0 CCADLP CCCC[NH+](CC(N)=O)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000647958838 390228388 /nfs/dbraw/zinc/22/83/88/390228388.db2.gz GSECUZIOBJMEIG-LBPRGKRZSA-N 2 2 259.394 0.275 20 0 CCADLP CC(C)(O)C[NH+]1CCC([NH2+]Cc2cc(C(N)=O)co2)CC1 ZINC000647909702 390214827 /nfs/dbraw/zinc/21/48/27/390214827.db2.gz FGSLIWHXMQSLPR-UHFFFAOYSA-N 2 2 295.383 0.703 20 0 CCADLP O=C1NC2(CO1)CC[NH+](CCCn1cc[nH+]c1)CC2 ZINC000495138433 390218672 /nfs/dbraw/zinc/21/86/72/390218672.db2.gz JMDHZJOUTJQTAV-UHFFFAOYSA-N 2 2 264.329 0.848 20 0 CCADLP CC[C@@H]1CN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC[C@@H]1[NH3+] ZINC000647934829 390221713 /nfs/dbraw/zinc/22/17/13/390221713.db2.gz RXORYFXPTZVWFQ-KBXIAJHMSA-N 2 2 267.417 0.909 20 0 CCADLP CC[C@@H]1CN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC[C@@H]1[NH3+] ZINC000647934829 390221717 /nfs/dbraw/zinc/22/17/17/390221717.db2.gz RXORYFXPTZVWFQ-KBXIAJHMSA-N 2 2 267.417 0.909 20 0 CCADLP CC[C@@H]1CN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC[C@H]1[NH3+] ZINC000647934827 390221799 /nfs/dbraw/zinc/22/17/99/390221799.db2.gz RXORYFXPTZVWFQ-APIJFGDWSA-N 2 2 267.417 0.909 20 0 CCADLP CC[C@@H]1CN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC[C@H]1[NH3+] ZINC000647934827 390221800 /nfs/dbraw/zinc/22/18/00/390221800.db2.gz RXORYFXPTZVWFQ-APIJFGDWSA-N 2 2 267.417 0.909 20 0 CCADLP CC[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)CC[C@@H]1[NH3+] ZINC000647934549 390222256 /nfs/dbraw/zinc/22/22/56/390222256.db2.gz IUNRVAFOEZIUCR-NEPJUHHUSA-N 2 2 274.430 0.870 20 0 CCADLP CC[C@@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)CC[C@@H]1[NH3+] ZINC000647934549 390222259 /nfs/dbraw/zinc/22/22/59/390222259.db2.gz IUNRVAFOEZIUCR-NEPJUHHUSA-N 2 2 274.430 0.870 20 0 CCADLP CNC(=O)CCC[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000579609116 390191952 /nfs/dbraw/zinc/19/19/52/390191952.db2.gz NVBGERDCNCOYFE-HUUCEWRRSA-N 2 2 296.459 0.470 20 0 CCADLP CNC(=O)CCC[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000579609116 390191954 /nfs/dbraw/zinc/19/19/54/390191954.db2.gz NVBGERDCNCOYFE-HUUCEWRRSA-N 2 2 296.459 0.470 20 0 CCADLP C[N@H+](CCC[NH3+])CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000647849295 390192188 /nfs/dbraw/zinc/19/21/88/390192188.db2.gz OGXIFYIQJCTNEZ-GFCCVEGCSA-N 2 2 293.367 0.223 20 0 CCADLP C[N@@H+](CCC[NH3+])CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000647849295 390192190 /nfs/dbraw/zinc/19/21/90/390192190.db2.gz OGXIFYIQJCTNEZ-GFCCVEGCSA-N 2 2 293.367 0.223 20 0 CCADLP COc1ccc(CN(C)C(=O)C[N@H+](C)CCC[NH3+])cc1 ZINC000647849602 390192526 /nfs/dbraw/zinc/19/25/26/390192526.db2.gz ZMJXJACVTHYUAA-UHFFFAOYSA-N 2 2 279.384 0.934 20 0 CCADLP COc1ccc(CN(C)C(=O)C[N@@H+](C)CCC[NH3+])cc1 ZINC000647849602 390192530 /nfs/dbraw/zinc/19/25/30/390192530.db2.gz ZMJXJACVTHYUAA-UHFFFAOYSA-N 2 2 279.384 0.934 20 0 CCADLP Cn1cnc(CC[NH2+]Cc2cccc3[nH+]ccn32)n1 ZINC000538757119 390198198 /nfs/dbraw/zinc/19/81/98/390198198.db2.gz TXIHXZRNZNAJJY-UHFFFAOYSA-N 2 2 256.313 0.795 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000579704199 390199143 /nfs/dbraw/zinc/19/91/43/390199143.db2.gz DYYOAAYWVQEESF-MRVPVSSYSA-N 2 2 284.385 0.433 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000579704199 390199145 /nfs/dbraw/zinc/19/91/45/390199145.db2.gz DYYOAAYWVQEESF-MRVPVSSYSA-N 2 2 284.385 0.433 20 0 CCADLP O=C1N=NC2C[N@H+](CCCC3CC[NH2+]CC3)CCN12 ZINC000647989099 390239812 /nfs/dbraw/zinc/23/98/12/390239812.db2.gz IBSWMOXVFRJHLJ-UHFFFAOYSA-N 2 2 265.361 0.579 20 0 CCADLP O=C1N=NC2C[N@@H+](CCCC3CC[NH2+]CC3)CCN12 ZINC000647989099 390239815 /nfs/dbraw/zinc/23/98/15/390239815.db2.gz IBSWMOXVFRJHLJ-UHFFFAOYSA-N 2 2 265.361 0.579 20 0 CCADLP O=c1[nH]nc2n1CC[N@@H+](CCCC1CC[NH2+]CC1)C2 ZINC000647989099 390239818 /nfs/dbraw/zinc/23/98/18/390239818.db2.gz IBSWMOXVFRJHLJ-UHFFFAOYSA-N 2 2 265.361 0.579 20 0 CCADLP O=c1[nH]nc2n1CC[N@H+](CCCC1CC[NH2+]CC1)C2 ZINC000647989099 390239820 /nfs/dbraw/zinc/23/98/20/390239820.db2.gz IBSWMOXVFRJHLJ-UHFFFAOYSA-N 2 2 265.361 0.579 20 0 CCADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@H]1CCNC1=O ZINC000541536010 390241895 /nfs/dbraw/zinc/24/18/95/390241895.db2.gz RQDDPCUYDAOIGK-AWEZNQCLSA-N 2 2 285.351 0.896 20 0 CCADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@H]1CCNC1=O ZINC000541536010 390241897 /nfs/dbraw/zinc/24/18/97/390241897.db2.gz RQDDPCUYDAOIGK-AWEZNQCLSA-N 2 2 285.351 0.896 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCN(CC(F)F)CC1 ZINC000647969964 390234742 /nfs/dbraw/zinc/23/47/42/390234742.db2.gz ZUHXIIQEEOWURX-CYBMUJFWSA-N 2 2 293.402 0.960 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCN(CC(F)F)CC1 ZINC000647969964 390234744 /nfs/dbraw/zinc/23/47/44/390234744.db2.gz ZUHXIIQEEOWURX-CYBMUJFWSA-N 2 2 293.402 0.960 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000647969964 390234745 /nfs/dbraw/zinc/23/47/45/390234745.db2.gz ZUHXIIQEEOWURX-CYBMUJFWSA-N 2 2 293.402 0.960 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCCN(CC(F)F)CC1 ZINC000647969964 390234746 /nfs/dbraw/zinc/23/47/46/390234746.db2.gz ZUHXIIQEEOWURX-CYBMUJFWSA-N 2 2 293.402 0.960 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](C)CC1(C)C)N1CC[NH+](C)CC1 ZINC000541721075 390245338 /nfs/dbraw/zinc/24/53/38/390245338.db2.gz PLHKWXPMDGESOJ-ZDUSSCGKSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](C)CC1(C)C)N1CC[NH+](C)CC1 ZINC000541721075 390245339 /nfs/dbraw/zinc/24/53/39/390245339.db2.gz PLHKWXPMDGESOJ-ZDUSSCGKSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@@H](O)C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000644530520 390246739 /nfs/dbraw/zinc/24/67/39/390246739.db2.gz FAVJOLDERBKMKZ-CQSZACIVSA-N 2 2 294.395 0.868 20 0 CCADLP C[NH2+][C@@H](C)C(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000581199419 390250290 /nfs/dbraw/zinc/25/02/90/390250290.db2.gz IBOJRRUHZTTZLH-NSHDSACASA-N 2 2 282.413 0.785 20 0 CCADLP C[NH2+][C@@H](C)C(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000581199419 390250292 /nfs/dbraw/zinc/25/02/92/390250292.db2.gz IBOJRRUHZTTZLH-NSHDSACASA-N 2 2 282.413 0.785 20 0 CCADLP C[N@@H+]1CCC[C@H]([NH2+]C[C@@H](O)COCc2ccco2)C1 ZINC000644547868 390250804 /nfs/dbraw/zinc/25/08/04/390250804.db2.gz DFMMCJRCFIUXRU-QWHCGFSZSA-N 2 2 268.357 0.841 20 0 CCADLP C[N@H+]1CCC[C@H]([NH2+]C[C@@H](O)COCc2ccco2)C1 ZINC000644547868 390250809 /nfs/dbraw/zinc/25/08/09/390250809.db2.gz DFMMCJRCFIUXRU-QWHCGFSZSA-N 2 2 268.357 0.841 20 0 CCADLP CC(C)[C@@H](CO)C[NH2+]C[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000581370513 390251870 /nfs/dbraw/zinc/25/18/70/390251870.db2.gz YHJQIDAPWDJKDW-KBUPBQIOSA-N 2 2 288.432 0.311 20 0 CCADLP O[C@@H](C[NH2+][C@H]1CC[N@H+](CC2CC2)C1)Cn1cccn1 ZINC000644556866 390251930 /nfs/dbraw/zinc/25/19/30/390251930.db2.gz ULTUSOFXNIQLPX-KBPBESRZSA-N 2 2 264.373 0.318 20 0 CCADLP O[C@@H](C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1)Cn1cccn1 ZINC000644556866 390251931 /nfs/dbraw/zinc/25/19/31/390251931.db2.gz ULTUSOFXNIQLPX-KBPBESRZSA-N 2 2 264.373 0.318 20 0 CCADLP C[N@H+]1C[C@H]2[C@@H](CCN2CCC[NH+]2CCOCC2)C1 ZINC000644729994 390296768 /nfs/dbraw/zinc/29/67/68/390296768.db2.gz OOPYBCNXQVWAOD-KBPBESRZSA-N 2 2 253.390 0.345 20 0 CCADLP C[N@@H+]1C[C@H]2[C@@H](CCN2CCC[NH+]2CCOCC2)C1 ZINC000644729994 390296771 /nfs/dbraw/zinc/29/67/71/390296771.db2.gz OOPYBCNXQVWAOD-KBPBESRZSA-N 2 2 253.390 0.345 20 0 CCADLP Cn1cc([C@H]2OCCC[C@@H]2[NH2+][C@H]2CCC[NH2+]C2)cn1 ZINC000582062623 390256678 /nfs/dbraw/zinc/25/66/78/390256678.db2.gz RVVGLOMKOXHALU-MELADBBJSA-N 2 2 264.373 0.982 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3cccc(F)c3F)CCN2C1=O ZINC000582073771 390258771 /nfs/dbraw/zinc/25/87/71/390258771.db2.gz PDJURTPLAWNNBS-ZYHUDNBSSA-N 2 2 281.306 0.709 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3cccc(F)c3F)CCN2C1=O ZINC000582073771 390258773 /nfs/dbraw/zinc/25/87/73/390258773.db2.gz PDJURTPLAWNNBS-ZYHUDNBSSA-N 2 2 281.306 0.709 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc(F)cn1)C1CC1 ZINC000644599658 390262651 /nfs/dbraw/zinc/26/26/51/390262651.db2.gz CUFGGWVMBNEOLA-CYBMUJFWSA-N 2 2 253.321 0.765 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc(F)cn1)C1CC1 ZINC000644599658 390262652 /nfs/dbraw/zinc/26/26/52/390262652.db2.gz CUFGGWVMBNEOLA-CYBMUJFWSA-N 2 2 253.321 0.765 20 0 CCADLP C[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)CC[C@H]1[NH3+] ZINC000582181826 390267090 /nfs/dbraw/zinc/26/70/90/390267090.db2.gz SWKPDCGKQDLLCD-GHMZBOCLSA-N 2 2 260.403 0.480 20 0 CCADLP C[C@@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)CC[C@H]1[NH3+] ZINC000582181826 390267093 /nfs/dbraw/zinc/26/70/93/390267093.db2.gz SWKPDCGKQDLLCD-GHMZBOCLSA-N 2 2 260.403 0.480 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)CCO1 ZINC000582189296 390268395 /nfs/dbraw/zinc/26/83/95/390268395.db2.gz LTJKMXWJODWRIO-KGLIPLIRSA-N 2 2 278.400 0.930 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)CCO1 ZINC000582189296 390268400 /nfs/dbraw/zinc/26/84/00/390268400.db2.gz LTJKMXWJODWRIO-KGLIPLIRSA-N 2 2 278.400 0.930 20 0 CCADLP Cc1ncsc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000582252677 390275061 /nfs/dbraw/zinc/27/50/61/390275061.db2.gz OGVHAJQCTYCUBQ-ZJUUUORDSA-N 2 2 266.370 0.195 20 0 CCADLP Cc1ncsc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000582252677 390275066 /nfs/dbraw/zinc/27/50/66/390275066.db2.gz OGVHAJQCTYCUBQ-ZJUUUORDSA-N 2 2 266.370 0.195 20 0 CCADLP C[C@H]1CC[N@H+](CCNC(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000542964245 390276835 /nfs/dbraw/zinc/27/68/35/390276835.db2.gz JVRFTCLEWBIGIJ-AWEZNQCLSA-N 2 2 295.427 0.699 20 0 CCADLP C[C@H]1CC[N@@H+](CCNC(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000542964245 390276838 /nfs/dbraw/zinc/27/68/38/390276838.db2.gz JVRFTCLEWBIGIJ-AWEZNQCLSA-N 2 2 295.427 0.699 20 0 CCADLP CCOCC[C@H](O)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000644650745 390276982 /nfs/dbraw/zinc/27/69/82/390276982.db2.gz DPYDSUDXAIBQGS-QWRGUYRKSA-N 2 2 253.346 0.644 20 0 CCADLP CCOCC[C@H](O)C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000644650745 390276985 /nfs/dbraw/zinc/27/69/85/390276985.db2.gz DPYDSUDXAIBQGS-QWRGUYRKSA-N 2 2 253.346 0.644 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)n1C ZINC000583452170 390286797 /nfs/dbraw/zinc/28/67/97/390286797.db2.gz VLXVSOBVSQANAR-AAEUAGOBSA-N 2 2 262.357 0.972 20 0 CCADLP Cc1cc(NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c(C)c[nH+]1 ZINC000545169803 390315149 /nfs/dbraw/zinc/31/51/49/390315149.db2.gz LSGFGSHLXDLZOH-AWEZNQCLSA-N 2 2 278.356 0.308 20 0 CCADLP Cc1cc(NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)c(C)c[nH+]1 ZINC000545169803 390315150 /nfs/dbraw/zinc/31/51/50/390315150.db2.gz LSGFGSHLXDLZOH-AWEZNQCLSA-N 2 2 278.356 0.308 20 0 CCADLP C[NH+](C)C1(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CCCC1 ZINC000583983615 390330116 /nfs/dbraw/zinc/33/01/16/390330116.db2.gz NHQSPYPUAVROSE-CYBMUJFWSA-N 3 2 297.447 0.145 20 0 CCADLP C[NH+](C)C1(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CCCC1 ZINC000583983615 390330118 /nfs/dbraw/zinc/33/01/18/390330118.db2.gz NHQSPYPUAVROSE-CYBMUJFWSA-N 3 2 297.447 0.145 20 0 CCADLP COC(=O)Cc1cc[nH+]c(NCC[C@@H](C)[NH+](C)C)c1 ZINC000596430241 390369706 /nfs/dbraw/zinc/36/97/06/390369706.db2.gz KJEVRVQAMHJURX-LLVKDONJSA-N 2 2 265.357 0.971 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc3c[nH]nc3c2)C1 ZINC000545859205 390331440 /nfs/dbraw/zinc/33/14/40/390331440.db2.gz IXELERRMQVIGIC-CQSZACIVSA-N 2 2 260.341 0.719 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc3c[nH]nc3c2)C1 ZINC000545859205 390331442 /nfs/dbraw/zinc/33/14/42/390331442.db2.gz IXELERRMQVIGIC-CQSZACIVSA-N 2 2 260.341 0.719 20 0 CCADLP CCOC(=O)N1CC[C@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000497023275 390404294 /nfs/dbraw/zinc/40/42/94/390404294.db2.gz SEIWWXHTYISXBY-SRVKXCTJSA-N 2 2 255.362 0.805 20 0 CCADLP CCOC(=O)N1CC[C@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000497243283 390442863 /nfs/dbraw/zinc/44/28/63/390442863.db2.gz FEFKHGJLLYMKDQ-NSHDSACASA-N 2 2 295.387 0.807 20 0 CCADLP CCc1cc(N2CN(CC[NH+](C)C)C(=O)[C@H]2C)nc(C)[nH+]1 ZINC000645361772 390415311 /nfs/dbraw/zinc/41/53/11/390415311.db2.gz YGBPDUOIZUHYSH-LLVKDONJSA-N 2 2 291.399 0.904 20 0 CCADLP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000422872677 285373967 /nfs/dbraw/zinc/37/39/67/285373967.db2.gz IEYOXNLXXNBNHY-MBNYWOFBSA-N 3 2 255.406 0.813 20 0 CCADLP COC[C@H](CCC[NH3+])[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000422872677 285373968 /nfs/dbraw/zinc/37/39/68/285373968.db2.gz IEYOXNLXXNBNHY-MBNYWOFBSA-N 3 2 255.406 0.813 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000645492709 390437336 /nfs/dbraw/zinc/43/73/36/390437336.db2.gz WLFNWYDDZXPDDF-LLVKDONJSA-N 2 2 262.357 0.762 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648900759 390439810 /nfs/dbraw/zinc/43/98/10/390439810.db2.gz CNWDTKRCNWFQLQ-KBUPBQIOSA-N 2 2 295.427 0.648 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648900759 390439812 /nfs/dbraw/zinc/43/98/12/390439812.db2.gz CNWDTKRCNWFQLQ-KBUPBQIOSA-N 2 2 295.427 0.648 20 0 CCADLP C[C@@H]1C[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)CC[N@@H+]1C ZINC000547539929 390382376 /nfs/dbraw/zinc/38/23/76/390382376.db2.gz QIMMSBUMQGNVNN-NEPJUHHUSA-N 2 2 264.373 0.904 20 0 CCADLP C[C@@H]1C[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)CC[N@H+]1C ZINC000547539929 390382377 /nfs/dbraw/zinc/38/23/77/390382377.db2.gz QIMMSBUMQGNVNN-NEPJUHHUSA-N 2 2 264.373 0.904 20 0 CCADLP CC1(C)C[NH2+][C@H]1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000645248341 390396064 /nfs/dbraw/zinc/39/60/64/390396064.db2.gz JUURXGXUKCBSLO-LBPRGKRZSA-N 2 2 258.325 0.949 20 0 CCADLP C[C@H]1C[N@H+](CCO)CCN1c1nc(N)[nH+]c2c1CCCC2 ZINC000645255910 390397656 /nfs/dbraw/zinc/39/76/56/390397656.db2.gz YZYDNEDGHFUSJN-NSHDSACASA-N 2 2 291.399 0.271 20 0 CCADLP C[C@H]1C[N@@H+](CCO)CCN1c1nc(N)[nH+]c2c1CCCC2 ZINC000645255910 390397658 /nfs/dbraw/zinc/39/76/58/390397658.db2.gz YZYDNEDGHFUSJN-NSHDSACASA-N 2 2 291.399 0.271 20 0 CCADLP CCO[C@@H]1COCC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)CC ZINC000565369995 390508514 /nfs/dbraw/zinc/50/85/14/390508514.db2.gz BCEUIZZNJGJYQI-JHJVBQTASA-N 2 2 260.378 0.083 20 0 CCADLP CCO[C@@H]1COCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)CC ZINC000565369995 390508515 /nfs/dbraw/zinc/50/85/15/390508515.db2.gz BCEUIZZNJGJYQI-JHJVBQTASA-N 2 2 260.378 0.083 20 0 CCADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000643472298 390451732 /nfs/dbraw/zinc/45/17/32/390451732.db2.gz UEVZGOGPZBBUKR-HUUCEWRRSA-N 3 2 296.459 0.661 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000514854757 390470127 /nfs/dbraw/zinc/47/01/27/390470127.db2.gz KRAHGEKOFNFOTP-VOAKCMCISA-N 2 2 274.430 0.930 20 0 CCADLP CSC[C@H](O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000556065314 390473391 /nfs/dbraw/zinc/47/33/91/390473391.db2.gz CGAGIPWJFMRVEI-WDEREUQCSA-N 2 2 255.387 0.933 20 0 CCADLP CSC[C@H](O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000556065314 390473396 /nfs/dbraw/zinc/47/33/96/390473396.db2.gz CGAGIPWJFMRVEI-WDEREUQCSA-N 2 2 255.387 0.933 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCn2cccc2)C[C@H](C)O1 ZINC000566111136 390580501 /nfs/dbraw/zinc/58/05/01/390580501.db2.gz YPNBQNCLDNYCMS-ZNMIVQPWSA-N 2 2 281.400 0.548 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCn2cccc2)C[C@H](C)O1 ZINC000566111136 390580506 /nfs/dbraw/zinc/58/05/06/390580506.db2.gz YPNBQNCLDNYCMS-ZNMIVQPWSA-N 2 2 281.400 0.548 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)COCC[NH3+] ZINC000646071345 390592038 /nfs/dbraw/zinc/59/20/38/390592038.db2.gz XTBMGXQQWXREAP-UHFFFAOYSA-N 2 2 254.334 0.131 20 0 CCADLP Cc1[nH+]c2n(c1C)CCN(C(=O)CC1(C[NH3+])CC1)C2 ZINC000646044130 390583077 /nfs/dbraw/zinc/58/30/77/390583077.db2.gz SXBANUGIUCICKF-UHFFFAOYSA-N 2 2 262.357 0.971 20 0 CCADLP CCC[C@]1(CO)CCC[N@@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000520604360 390584513 /nfs/dbraw/zinc/58/45/13/390584513.db2.gz QISOLMOQILBOEJ-HUUCEWRRSA-N 2 2 288.432 0.553 20 0 CCADLP CCC[C@]1(CO)CCC[N@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000520604360 390584517 /nfs/dbraw/zinc/58/45/17/390584517.db2.gz QISOLMOQILBOEJ-HUUCEWRRSA-N 2 2 288.432 0.553 20 0 CCADLP CCC[C@]1(CO)CCC[NH+]1C[C@H](O)C[N@H+](C)CCOC ZINC000520604360 390584521 /nfs/dbraw/zinc/58/45/21/390584521.db2.gz QISOLMOQILBOEJ-HUUCEWRRSA-N 2 2 288.432 0.553 20 0 CCADLP CCC[C@]1(CO)CCC[NH+]1C[C@H](O)C[N@@H+](C)CCOC ZINC000520604360 390584525 /nfs/dbraw/zinc/58/45/25/390584525.db2.gz QISOLMOQILBOEJ-HUUCEWRRSA-N 2 2 288.432 0.553 20 0 CCADLP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000649210139 390524468 /nfs/dbraw/zinc/52/44/68/390524468.db2.gz NWFLJKJGUUPPQE-VXGBXAGGSA-N 2 2 262.357 0.656 20 0 CCADLP C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000649210139 390524472 /nfs/dbraw/zinc/52/44/72/390524472.db2.gz NWFLJKJGUUPPQE-VXGBXAGGSA-N 2 2 262.357 0.656 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@@H]1C ZINC000649215415 390525724 /nfs/dbraw/zinc/52/57/24/390525724.db2.gz OAAUMHRRKOPXAH-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@@H]1C ZINC000649215415 390525727 /nfs/dbraw/zinc/52/57/27/390525727.db2.gz OAAUMHRRKOPXAH-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP CC[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)CC)C[C@@]2(CCOC2)O1 ZINC000519711736 390532579 /nfs/dbraw/zinc/53/25/79/390532579.db2.gz ZPNBYSYHQHDGTF-RRFJBIMHSA-N 2 2 286.416 0.569 20 0 CCADLP CC[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)CC)C[C@@]2(CCOC2)O1 ZINC000519711736 390532586 /nfs/dbraw/zinc/53/25/86/390532586.db2.gz ZPNBYSYHQHDGTF-RRFJBIMHSA-N 2 2 286.416 0.569 20 0 CCADLP CC[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)CC)C[C@@]2(CCOC2)O1 ZINC000519711736 390532588 /nfs/dbraw/zinc/53/25/88/390532588.db2.gz ZPNBYSYHQHDGTF-RRFJBIMHSA-N 2 2 286.416 0.569 20 0 CCADLP CC[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)CC)C[C@@]2(CCOC2)O1 ZINC000519711736 390532594 /nfs/dbraw/zinc/53/25/94/390532594.db2.gz ZPNBYSYHQHDGTF-RRFJBIMHSA-N 2 2 286.416 0.569 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000649334242 390589693 /nfs/dbraw/zinc/58/96/93/390589693.db2.gz VZDWJKDDJVHWMX-NFAWXSAZSA-N 3 2 296.459 0.645 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000649334242 390589696 /nfs/dbraw/zinc/58/96/96/390589696.db2.gz VZDWJKDDJVHWMX-NFAWXSAZSA-N 3 2 296.459 0.645 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@]3(C)CCC[NH2+]3)C2)CC1 ZINC000649334212 390590188 /nfs/dbraw/zinc/59/01/88/390590188.db2.gz SYOFQAALVANZML-CJNGLKHVSA-N 3 2 294.443 0.413 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@]3(C)CCC[NH2+]3)C2)CC1 ZINC000649334212 390590189 /nfs/dbraw/zinc/59/01/89/390590189.db2.gz SYOFQAALVANZML-CJNGLKHVSA-N 3 2 294.443 0.413 20 0 CCADLP [NH3+]Cc1cc(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)co1 ZINC000649278923 390546809 /nfs/dbraw/zinc/54/68/09/390546809.db2.gz NSDRFYZXVXDSCM-ZDUSSCGKSA-N 2 2 293.367 0.675 20 0 CCADLP C[C@@H]([NH3+])CCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645978149 390557706 /nfs/dbraw/zinc/55/77/06/390557706.db2.gz VGYDHQUPPNKCGD-OLZOCXBDSA-N 3 2 282.432 0.399 20 0 CCADLP C[C@@H]([NH3+])CCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645978149 390557709 /nfs/dbraw/zinc/55/77/09/390557709.db2.gz VGYDHQUPPNKCGD-OLZOCXBDSA-N 3 2 282.432 0.399 20 0 CCADLP COc1ccccc1[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000649304760 390564097 /nfs/dbraw/zinc/56/40/97/390564097.db2.gz FUFMTAMMASIVJS-FZMZJTMJSA-N 2 2 277.368 0.905 20 0 CCADLP COc1ccccc1[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000649304760 390564100 /nfs/dbraw/zinc/56/41/00/390564100.db2.gz FUFMTAMMASIVJS-FZMZJTMJSA-N 2 2 277.368 0.905 20 0 CCADLP [NH3+]C1(C(=O)NCC[NH+]2Cc3ccccc3C2)CCC1 ZINC000649306358 390566868 /nfs/dbraw/zinc/56/68/68/390566868.db2.gz NFOQODVIGRQTHS-UHFFFAOYSA-N 2 2 259.353 1.000 20 0 CCADLP C[C@@]1(C(=O)NCC[N@@H+]2CCOCC2(C)C)CCC[NH2+]1 ZINC000649320492 390577192 /nfs/dbraw/zinc/57/71/92/390577192.db2.gz FADFAOHAEAGDDN-AWEZNQCLSA-N 2 2 269.389 0.356 20 0 CCADLP C[C@@]1(C(=O)NCC[N@H+]2CCOCC2(C)C)CCC[NH2+]1 ZINC000649320492 390577197 /nfs/dbraw/zinc/57/71/97/390577197.db2.gz FADFAOHAEAGDDN-AWEZNQCLSA-N 2 2 269.389 0.356 20 0 CCADLP CCOC(=O)[C@](C)(O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000566540853 390627213 /nfs/dbraw/zinc/62/72/13/390627213.db2.gz LOGVZDOPHRFEHL-SMDDNHRTSA-N 2 2 281.356 0.524 20 0 CCADLP CCOC(=O)[C@](C)(O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000566540853 390627217 /nfs/dbraw/zinc/62/72/17/390627217.db2.gz LOGVZDOPHRFEHL-SMDDNHRTSA-N 2 2 281.356 0.524 20 0 CCADLP O=C(NCCn1cc[nH+]c1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000523121910 390633828 /nfs/dbraw/zinc/63/38/28/390633828.db2.gz ISHNLUKMLBREPJ-UHFFFAOYSA-N 2 2 283.295 0.289 20 0 CCADLP C[NH+](C)C[C@H](CO)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000646209176 390633943 /nfs/dbraw/zinc/63/39/43/390633943.db2.gz YTWXLSARJLEFCL-LLVKDONJSA-N 2 2 293.358 0.002 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000566747686 390644130 /nfs/dbraw/zinc/64/41/30/390644130.db2.gz FYVAZZHTVYTPDO-QWRGUYRKSA-N 2 2 263.345 0.661 20 0 CCADLP C[C@@H]1SCC[C@@H]1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000646233635 390645368 /nfs/dbraw/zinc/64/53/68/390645368.db2.gz JIJIHRYXTNKWAA-AXFHLTTASA-N 2 2 272.418 0.165 20 0 CCADLP COCC[NH2+]C1CC[NH+](CCN2CCO[C@H](C)C2)CC1 ZINC000566801662 390649394 /nfs/dbraw/zinc/64/93/94/390649394.db2.gz AXLCPRUWFSKLOX-CQSZACIVSA-N 2 2 285.432 0.408 20 0 CCADLP C[C@H]([NH3+])CCC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000646265079 390654057 /nfs/dbraw/zinc/65/40/57/390654057.db2.gz KRZWTRIIRWFNGB-NWDGAFQWSA-N 2 2 262.357 0.904 20 0 CCADLP CC(=O)N1CCC([NH2+]CC[N@H+]2CC[C@@H](C)C2)CC1 ZINC000524771459 390654655 /nfs/dbraw/zinc/65/46/55/390654655.db2.gz WMNWSJZKQLSQQD-GFCCVEGCSA-N 2 2 253.390 0.929 20 0 CCADLP CC(=O)N1CCC([NH2+]CC[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000524771459 390654660 /nfs/dbraw/zinc/65/46/60/390654660.db2.gz WMNWSJZKQLSQQD-GFCCVEGCSA-N 2 2 253.390 0.929 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@]1(CO)CCOc2ccccc21 ZINC000566893763 390656656 /nfs/dbraw/zinc/65/66/56/390656656.db2.gz ZUKIVHWCROHQIG-BBRMVZONSA-N 2 2 294.395 0.559 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@]1(CO)CCOc2ccccc21 ZINC000566893763 390656660 /nfs/dbraw/zinc/65/66/60/390656660.db2.gz ZUKIVHWCROHQIG-BBRMVZONSA-N 2 2 294.395 0.559 20 0 CCADLP COCC[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000566406946 390596513 /nfs/dbraw/zinc/59/65/13/390596513.db2.gz IJRCBCMPQUVIMQ-NSHDSACASA-N 2 2 254.334 0.186 20 0 CCADLP CC[NH+]1CCN(CCCNc2nc(C)[nH+]cc2C)CC1 ZINC000566922820 390659699 /nfs/dbraw/zinc/65/96/99/390659699.db2.gz ANRMKPPLEWJJKN-UHFFFAOYSA-N 2 2 277.416 0.955 20 0 CCADLP C[C@@H]1NC(=O)N(CC[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1=O ZINC000566415120 390599500 /nfs/dbraw/zinc/59/95/00/390599500.db2.gz XDOJSRJWNSAUOJ-WDEREUQCSA-N 2 2 291.355 0.150 20 0 CCADLP C[C@@H]1NC(=O)N(CC[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1=O ZINC000566415120 390599506 /nfs/dbraw/zinc/59/95/06/390599506.db2.gz XDOJSRJWNSAUOJ-WDEREUQCSA-N 2 2 291.355 0.150 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@@H]2[NH2+]CC2(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000646115361 390605569 /nfs/dbraw/zinc/60/55/69/390605569.db2.gz OXAWGQRDXRQCAB-RDBSUJKOSA-N 2 2 295.427 0.554 20 0 CCADLP O=C(NCCC[NH2+]C1CC1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000649371693 390609327 /nfs/dbraw/zinc/60/93/27/390609327.db2.gz KVLWZUNHPREVDE-UHFFFAOYSA-N 2 2 286.339 0.534 20 0 CCADLP C[C@H]1CN(C(=O)C[NH+]2CCC(C)(C)C2)CC[N@@H+]1CCO ZINC000566452607 390611716 /nfs/dbraw/zinc/61/17/16/390611716.db2.gz ZQISIKMYIUJCMQ-ZDUSSCGKSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@H]1CN(C(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1CCO ZINC000566452607 390611719 /nfs/dbraw/zinc/61/17/19/390611719.db2.gz ZQISIKMYIUJCMQ-ZDUSSCGKSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1CCO ZINC000566452607 390611721 /nfs/dbraw/zinc/61/17/21/390611721.db2.gz ZQISIKMYIUJCMQ-ZDUSSCGKSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1CCO ZINC000566452607 390611724 /nfs/dbraw/zinc/61/17/24/390611724.db2.gz ZQISIKMYIUJCMQ-ZDUSSCGKSA-N 2 2 283.416 0.243 20 0 CCADLP CCOc1cccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)n1 ZINC000521900115 390613661 /nfs/dbraw/zinc/61/36/61/390613661.db2.gz CBIOONOZYJAUHR-OLZOCXBDSA-N 2 2 290.367 0.224 20 0 CCADLP CCOc1cccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)n1 ZINC000521900115 390613665 /nfs/dbraw/zinc/61/36/65/390613665.db2.gz CBIOONOZYJAUHR-OLZOCXBDSA-N 2 2 290.367 0.224 20 0 CCADLP O=C(NC[C@H]1CCCC[NH2+]1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000646652127 390704239 /nfs/dbraw/zinc/70/42/39/390704239.db2.gz AASVKIUUFQFXKH-UKRRQHHQSA-N 2 2 295.427 0.888 20 0 CCADLP O=C(NC[C@H]1CCCC[NH2+]1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000646652127 390704241 /nfs/dbraw/zinc/70/42/41/390704241.db2.gz AASVKIUUFQFXKH-UKRRQHHQSA-N 2 2 295.427 0.888 20 0 CCADLP CSC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000567613104 390706350 /nfs/dbraw/zinc/70/63/50/390706350.db2.gz NKRWTIYQYVRBOS-NWDGAFQWSA-N 2 2 262.419 0.147 20 0 CCADLP CSC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000567613104 390706351 /nfs/dbraw/zinc/70/63/51/390706351.db2.gz NKRWTIYQYVRBOS-NWDGAFQWSA-N 2 2 262.419 0.147 20 0 CCADLP C[C@H](CN1CCOCC1)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000570928963 390725035 /nfs/dbraw/zinc/72/50/35/390725035.db2.gz WTIWMKOETLQKEK-HZSPNIEDSA-N 2 2 253.390 0.248 20 0 CCADLP C[C@H](CN1CCOCC1)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000570928963 390725036 /nfs/dbraw/zinc/72/50/36/390725036.db2.gz WTIWMKOETLQKEK-HZSPNIEDSA-N 2 2 253.390 0.248 20 0 CCADLP CC(C)[NH+]1CCC(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1 ZINC000646835411 390726208 /nfs/dbraw/zinc/72/62/08/390726208.db2.gz YDSHTHIAVXMUQD-CQSZACIVSA-N 3 2 282.432 0.208 20 0 CCADLP CC(C)[NH+]1CCC(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1 ZINC000646835411 390726210 /nfs/dbraw/zinc/72/62/10/390726210.db2.gz YDSHTHIAVXMUQD-CQSZACIVSA-N 3 2 282.432 0.208 20 0 CCADLP C[C@H]([NH3+])[C@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)CCO1 ZINC000646851185 390729961 /nfs/dbraw/zinc/72/99/61/390729961.db2.gz PZDNXSIRIJCOOY-CMPLNLGQSA-N 2 2 274.324 0.523 20 0 CCADLP COC[C@H](C)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000526118914 390678796 /nfs/dbraw/zinc/67/87/96/390678796.db2.gz TWBZGMQNRKUPNZ-NEPJUHHUSA-N 2 2 257.378 0.198 20 0 CCADLP COC[C@H](C)C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000526118914 390678798 /nfs/dbraw/zinc/67/87/98/390678798.db2.gz TWBZGMQNRKUPNZ-NEPJUHHUSA-N 2 2 257.378 0.198 20 0 CCADLP COCCn1cc(C[N@H+](C)CCC[NH+](C)C)cn1 ZINC000567399775 390697282 /nfs/dbraw/zinc/69/72/82/390697282.db2.gz UFRUSTGYGGRFLL-UHFFFAOYSA-N 2 2 254.378 0.913 20 0 CCADLP COCCn1cc(C[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000567399775 390697284 /nfs/dbraw/zinc/69/72/84/390697284.db2.gz UFRUSTGYGGRFLL-UHFFFAOYSA-N 2 2 254.378 0.913 20 0 CCADLP O=C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000646986592 390753427 /nfs/dbraw/zinc/75/34/27/390753427.db2.gz KPOMATYOCNBHCO-HIFRSBDPSA-N 2 2 295.427 0.888 20 0 CCADLP O=C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000646986592 390753429 /nfs/dbraw/zinc/75/34/29/390753429.db2.gz KPOMATYOCNBHCO-HIFRSBDPSA-N 2 2 295.427 0.888 20 0 CCADLP CN1CC[NH2+]C[C@H]1CNc1cc[nH+]c2ccncc12 ZINC000571899004 390758542 /nfs/dbraw/zinc/75/85/42/390758542.db2.gz ZDCFXPNQNQQMOQ-NSHDSACASA-N 2 2 257.341 0.367 20 0 CCADLP C[C@H]([NH3+])CNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000647021634 390759120 /nfs/dbraw/zinc/75/91/20/390759120.db2.gz VRKBQOQUAZEXDP-LBPRGKRZSA-N 2 2 272.352 0.937 20 0 CCADLP OC[C@@H]1CCCN1c1cc(NCC[C@H]2CCC[NH2+]2)[nH+]cn1 ZINC000572017634 390764577 /nfs/dbraw/zinc/76/45/77/390764577.db2.gz DUKDJQXCJWROJM-OLZOCXBDSA-N 2 2 291.399 0.992 20 0 CCADLP OC[C@@H]1CCCN1c1cc(NCC[C@H]2CCC[NH2+]2)nc[nH+]1 ZINC000572017634 390764579 /nfs/dbraw/zinc/76/45/79/390764579.db2.gz DUKDJQXCJWROJM-OLZOCXBDSA-N 2 2 291.399 0.992 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](CO)c1ccccc1C ZINC000572055305 390765803 /nfs/dbraw/zinc/76/58/03/390765803.db2.gz HRSMAPJAIJGKFF-GOEBONIOSA-N 2 2 296.411 0.557 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](CO)c1ccccc1C ZINC000572055305 390765804 /nfs/dbraw/zinc/76/58/04/390765804.db2.gz HRSMAPJAIJGKFF-GOEBONIOSA-N 2 2 296.411 0.557 20 0 CCADLP COC(=O)c1coc([C@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)c1 ZINC000572147831 390769664 /nfs/dbraw/zinc/76/96/64/390769664.db2.gz PEOHMIAJORICGF-JTQLQIEISA-N 2 2 295.339 0.149 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NCC1CC[NH2+]CC1 ZINC000572498288 390786497 /nfs/dbraw/zinc/78/64/97/390786497.db2.gz NXCRKGSAJOHEQS-UHFFFAOYSA-N 2 2 251.334 0.551 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)NCC1CC[NH2+]CC1 ZINC000572498288 390786498 /nfs/dbraw/zinc/78/64/98/390786498.db2.gz NXCRKGSAJOHEQS-UHFFFAOYSA-N 2 2 251.334 0.551 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccnn2-c2ccccn2)C1 ZINC000647201920 390787514 /nfs/dbraw/zinc/78/75/14/390787514.db2.gz FLPAUPCEDWZKRN-HNNXBMFYSA-N 2 2 287.367 0.424 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccnn2-c2ccccn2)C1 ZINC000647201920 390787516 /nfs/dbraw/zinc/78/75/16/390787516.db2.gz FLPAUPCEDWZKRN-HNNXBMFYSA-N 2 2 287.367 0.424 20 0 CCADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000572517511 390787646 /nfs/dbraw/zinc/78/76/46/390787646.db2.gz VRGAMZLRDDMLPE-HNNXBMFYSA-N 2 2 291.399 0.064 20 0 CCADLP COc1ncncc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000647203522 390787951 /nfs/dbraw/zinc/78/79/51/390787951.db2.gz IOOTYKCWXRRBBG-NSHDSACASA-N 2 2 259.313 0.786 20 0 CCADLP CCc1cnc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)o1 ZINC000572529813 390788076 /nfs/dbraw/zinc/78/80/76/390788076.db2.gz WCMXTHHETPWCDA-GFCCVEGCSA-N 2 2 292.383 0.633 20 0 CCADLP CCc1cnc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)o1 ZINC000572529813 390788077 /nfs/dbraw/zinc/78/80/77/390788077.db2.gz WCMXTHHETPWCDA-GFCCVEGCSA-N 2 2 292.383 0.633 20 0 CCADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000572599646 390791228 /nfs/dbraw/zinc/79/12/28/390791228.db2.gz HTHFQNCNTXWLQN-NEPJUHHUSA-N 2 2 286.420 0.522 20 0 CCADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000572599646 390791229 /nfs/dbraw/zinc/79/12/29/390791229.db2.gz HTHFQNCNTXWLQN-NEPJUHHUSA-N 2 2 286.420 0.522 20 0 CCADLP Cc1ccccc1[C@H]([NH3+])C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000572605740 390792062 /nfs/dbraw/zinc/79/20/62/390792062.db2.gz XFEKKQDSYMQEAV-HIFRSBDPSA-N 2 2 291.395 0.832 20 0 CCADLP Cc1ccccc1[C@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000572605740 390792065 /nfs/dbraw/zinc/79/20/65/390792065.db2.gz XFEKKQDSYMQEAV-HIFRSBDPSA-N 2 2 291.395 0.832 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000578404665 390881715 /nfs/dbraw/zinc/88/17/15/390881715.db2.gz ZFORMCWNCSEEAT-ILXRZTDVSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000578404665 390881717 /nfs/dbraw/zinc/88/17/17/390881717.db2.gz ZFORMCWNCSEEAT-ILXRZTDVSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000578404665 390881719 /nfs/dbraw/zinc/88/17/19/390881719.db2.gz ZFORMCWNCSEEAT-ILXRZTDVSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000578404665 390881720 /nfs/dbraw/zinc/88/17/20/390881720.db2.gz ZFORMCWNCSEEAT-ILXRZTDVSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000572907792 390810933 /nfs/dbraw/zinc/81/09/33/390810933.db2.gz CBSNLVLTUXRZTC-ZDUSSCGKSA-N 2 2 294.399 0.530 20 0 CCADLP Cc1c[nH+]c(C)nc1N[C@H](C)CN1CC[NH+](C)CC1 ZINC000572899750 390811365 /nfs/dbraw/zinc/81/13/65/390811365.db2.gz JZQKQSVRMZPBBZ-GFCCVEGCSA-N 2 2 263.389 0.563 20 0 CCADLP CN(C(=O)C1CC[NH+](CC(F)F)CC1)[C@H]1CC[NH2+]C1 ZINC000572952376 390812422 /nfs/dbraw/zinc/81/24/22/390812422.db2.gz KVWWBPMSJKHFSA-NSHDSACASA-N 2 2 275.343 0.784 20 0 CCADLP COc1ccsc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000572975598 390815860 /nfs/dbraw/zinc/81/58/60/390815860.db2.gz YSTVUIVTJMOPBT-ZJUUUORDSA-N 2 2 281.381 0.501 20 0 CCADLP COc1ccsc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000572975598 390815865 /nfs/dbraw/zinc/81/58/65/390815865.db2.gz YSTVUIVTJMOPBT-ZJUUUORDSA-N 2 2 281.381 0.501 20 0 CCADLP O=C(NC[C@@H]1COCC[NH2+]1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000529379347 390824660 /nfs/dbraw/zinc/82/46/60/390824660.db2.gz KJGKRYJMDYHSLU-VXGBXAGGSA-N 2 2 293.371 0.635 20 0 CCADLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(N)nc2)CC1 ZINC000647512944 390826892 /nfs/dbraw/zinc/82/68/92/390826892.db2.gz UTUWCORWMTYCDP-UHFFFAOYSA-N 2 2 264.373 0.383 20 0 CCADLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(N)nc2)CC1 ZINC000647512944 390826896 /nfs/dbraw/zinc/82/68/96/390826896.db2.gz UTUWCORWMTYCDP-UHFFFAOYSA-N 2 2 264.373 0.383 20 0 CCADLP CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CC(C)(C)[NH3+])C1 ZINC000647553289 390841273 /nfs/dbraw/zinc/84/12/73/390841273.db2.gz POUXLGDKKPTZMB-SNVBAGLBSA-N 2 2 267.295 0.724 20 0 CCADLP CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000647553289 390841276 /nfs/dbraw/zinc/84/12/76/390841276.db2.gz POUXLGDKKPTZMB-SNVBAGLBSA-N 2 2 267.295 0.724 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)Cn1cc[nH+]c1 ZINC000577807999 390845814 /nfs/dbraw/zinc/84/58/14/390845814.db2.gz PGGZCYFGFIMNBD-MGPQQGTHSA-N 2 2 292.383 0.593 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533866143 390887008 /nfs/dbraw/zinc/88/70/08/390887008.db2.gz QKOGRVBAIHHWSJ-MNOVXSKESA-N 2 2 250.346 0.686 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533866143 390887011 /nfs/dbraw/zinc/88/70/11/390887011.db2.gz QKOGRVBAIHHWSJ-MNOVXSKESA-N 2 2 250.346 0.686 20 0 CCADLP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC[C@H](O)C[NH+]1CCOCC1 ZINC000578858906 390904371 /nfs/dbraw/zinc/90/43/71/390904371.db2.gz ATZPNUMPNXFJHG-XHSDSOJGSA-N 2 2 299.459 0.532 20 0 CCADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC[C@H](O)C[NH+]1CCOCC1 ZINC000578858906 390904372 /nfs/dbraw/zinc/90/43/72/390904372.db2.gz ATZPNUMPNXFJHG-XHSDSOJGSA-N 2 2 299.459 0.532 20 0 CCADLP C[C@@H]([NH2+]C1CC1)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423757790 533331984 /nfs/dbraw/zinc/33/19/84/533331984.db2.gz DSFIXHIZTXNSQM-FRRDWIJNSA-N 2 2 283.416 0.695 20 0 CCADLP C[C@@H]([NH2+]C1CC1)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423757790 533331987 /nfs/dbraw/zinc/33/19/87/533331987.db2.gz DSFIXHIZTXNSQM-FRRDWIJNSA-N 2 2 283.416 0.695 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cc(C(N)=O)cs1 ZINC000414929728 533669095 /nfs/dbraw/zinc/66/90/95/533669095.db2.gz OJQFZZSRGLDMHK-KWQFWETISA-N 2 2 253.371 0.935 20 0 CCADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)C(=O)NC[C@H]1CCCO1 ZINC000342097572 130259556 /nfs/dbraw/zinc/25/95/56/130259556.db2.gz IEJMEEMOHBZRQW-GHMZBOCLSA-N 2 2 255.362 0.141 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)n1C ZINC000657707908 413051685 /nfs/dbraw/zinc/05/16/85/413051685.db2.gz JFXRJXDKFBNHTQ-NWDGAFQWSA-N 2 2 264.373 0.879 20 0 CCADLP C[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000237202585 131013710 /nfs/dbraw/zinc/01/37/10/131013710.db2.gz MEVWGIXOCVVKHX-UHFFFAOYSA-N 2 2 277.368 0.559 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000251634126 131130335 /nfs/dbraw/zinc/13/03/35/131130335.db2.gz IPUFBFRPNGUYDS-UPJWGTAASA-N 2 2 269.389 0.164 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000251634126 131130337 /nfs/dbraw/zinc/13/03/37/131130337.db2.gz IPUFBFRPNGUYDS-UPJWGTAASA-N 2 2 269.389 0.164 20 0 CCADLP [NH3+]C[C@H]1CC[C@@H](C(=O)NCCCCNc2cccc[nH+]2)O1 ZINC000262159757 131196002 /nfs/dbraw/zinc/19/60/02/131196002.db2.gz XYHCZOZEMSFAKE-OLZOCXBDSA-N 2 2 292.383 0.896 20 0 CCADLP C[NH2+]CCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000262462780 131223234 /nfs/dbraw/zinc/22/32/34/131223234.db2.gz XJPSCHFFOBXSMJ-HNNXBMFYSA-N 2 2 291.395 0.786 20 0 CCADLP O=C(NCc1cn2ccccc2[nH+]1)[C@@H]1CSC[NH2+]1 ZINC000269226923 132136286 /nfs/dbraw/zinc/13/62/86/132136286.db2.gz FPALRJZEELNXID-JTQLQIEISA-N 2 2 262.338 0.613 20 0 CCADLP C[NH2+]CCCC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000269229113 132137289 /nfs/dbraw/zinc/13/72/89/132137289.db2.gz BRKKJGPVJSXXDR-UHFFFAOYSA-N 2 2 250.346 0.835 20 0 CCADLP C([NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)C12CC(C1)CO2 ZINC000530219946 285573161 /nfs/dbraw/zinc/57/31/61/285573161.db2.gz LPCMZCLEAPZORC-IFFXXYNGSA-N 2 2 252.358 0.522 20 0 CCADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000343446857 289016190 /nfs/dbraw/zinc/01/61/90/289016190.db2.gz XXMOPTZHNLZNSH-AEJSXWLSSA-N 2 2 261.316 0.440 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NCC3CC3)C2)CC1 ZINC000171529754 335068963 /nfs/dbraw/zinc/06/89/63/335068963.db2.gz GPNBRYDNHNOUCQ-OAHLLOKOSA-N 2 2 294.443 0.224 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NCC3CC3)C2)CC1 ZINC000171529754 335068964 /nfs/dbraw/zinc/06/89/64/335068964.db2.gz GPNBRYDNHNOUCQ-OAHLLOKOSA-N 2 2 294.443 0.224 20 0 CCADLP C[C@@H](Cn1cncn1)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000658025737 413089775 /nfs/dbraw/zinc/08/97/75/413089775.db2.gz KPOCLEVLONIFDM-STQMWFEESA-N 2 2 267.377 0.103 20 0 CCADLP C[C@@H](Cn1cncn1)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000658025737 413089781 /nfs/dbraw/zinc/08/97/81/413089781.db2.gz KPOCLEVLONIFDM-STQMWFEESA-N 2 2 267.377 0.103 20 0 CCADLP CNC(=O)[C@@H]1CCC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000331105932 397452087 /nfs/dbraw/zinc/45/20/87/397452087.db2.gz GHGPLXDUMNUFJR-LLVKDONJSA-N 2 2 279.388 0.444 20 0 CCADLP CNC(=O)[C@@H]1CCC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000331105932 397452093 /nfs/dbraw/zinc/45/20/93/397452093.db2.gz GHGPLXDUMNUFJR-LLVKDONJSA-N 2 2 279.388 0.444 20 0 CCADLP CN(CC[NH+]1CCCCC1)CC[NH+]1CCOCC1 ZINC000132275593 397414017 /nfs/dbraw/zinc/41/40/17/397414017.db2.gz VDBTZVGNPYJQIG-UHFFFAOYSA-N 2 2 255.406 0.736 20 0 CCADLP Cc1cc[nH+]cc1CCC[NH2+]CCS(=O)(=O)N(C)C ZINC000356502587 144008488 /nfs/dbraw/zinc/00/84/88/144008488.db2.gz HMJKWAJTXRTPAE-UHFFFAOYSA-N 2 2 285.413 0.804 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C)N1CC[NH+](C)CC1 ZINC000356887741 144041505 /nfs/dbraw/zinc/04/15/05/144041505.db2.gz UIXRHZCGHSCENP-RDBSUJKOSA-N 2 2 282.432 0.173 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C)N1CC[NH+](C)CC1 ZINC000356887741 144041506 /nfs/dbraw/zinc/04/15/06/144041506.db2.gz UIXRHZCGHSCENP-RDBSUJKOSA-N 2 2 282.432 0.173 20 0 CCADLP Cc1ncc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000356899662 144042468 /nfs/dbraw/zinc/04/24/68/144042468.db2.gz WVGJERIQXFCBCQ-CQSZACIVSA-N 2 2 291.399 0.462 20 0 CCADLP Cc1ncc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)cn1 ZINC000356899662 144042469 /nfs/dbraw/zinc/04/24/69/144042469.db2.gz WVGJERIQXFCBCQ-CQSZACIVSA-N 2 2 291.399 0.462 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357078984 144057530 /nfs/dbraw/zinc/05/75/30/144057530.db2.gz CESHBPAOKQHBOL-RFGFWPKPSA-N 2 2 281.400 0.211 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357078984 144057532 /nfs/dbraw/zinc/05/75/32/144057532.db2.gz CESHBPAOKQHBOL-RFGFWPKPSA-N 2 2 281.400 0.211 20 0 CCADLP COC(=O)c1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c[nH]1 ZINC000357137937 144064147 /nfs/dbraw/zinc/06/41/47/144064147.db2.gz VVURQKFNHSFXQK-NEPJUHHUSA-N 2 2 263.341 0.843 20 0 CCADLP COC(=O)c1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c[nH]1 ZINC000357137937 144064148 /nfs/dbraw/zinc/06/41/48/144064148.db2.gz VVURQKFNHSFXQK-NEPJUHHUSA-N 2 2 263.341 0.843 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)C1 ZINC000357235716 144071748 /nfs/dbraw/zinc/07/17/48/144071748.db2.gz BKABRBITVXJSOV-KGLIPLIRSA-N 2 2 283.416 0.506 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)C1 ZINC000357235716 144071749 /nfs/dbraw/zinc/07/17/49/144071749.db2.gz BKABRBITVXJSOV-KGLIPLIRSA-N 2 2 283.416 0.506 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)C1 ZINC000357235716 144071750 /nfs/dbraw/zinc/07/17/50/144071750.db2.gz BKABRBITVXJSOV-KGLIPLIRSA-N 2 2 283.416 0.506 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)C1 ZINC000357235716 144071751 /nfs/dbraw/zinc/07/17/51/144071751.db2.gz BKABRBITVXJSOV-KGLIPLIRSA-N 2 2 283.416 0.506 20 0 CCADLP C[C@@H](C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)C1C[NH2+]C1 ZINC000357237272 144071790 /nfs/dbraw/zinc/07/17/90/144071790.db2.gz GZMXGAZCFRAYKI-UKRRQHHQSA-N 2 2 295.427 0.555 20 0 CCADLP CC(C)CNC(=O)[C@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357644343 144107987 /nfs/dbraw/zinc/10/79/87/144107987.db2.gz HUFJYRZZUBPZSP-ZDUSSCGKSA-N 2 2 285.432 0.536 20 0 CCADLP CC(C)CNC(=O)[C@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357644343 144107988 /nfs/dbraw/zinc/10/79/88/144107988.db2.gz HUFJYRZZUBPZSP-ZDUSSCGKSA-N 2 2 285.432 0.536 20 0 CCADLP CCN(CC)C(=O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357652389 144108992 /nfs/dbraw/zinc/10/89/92/144108992.db2.gz UYHMXHDTULIZHF-UHFFFAOYSA-N 2 2 271.405 0.243 20 0 CCADLP CCN(CC)C(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357652389 144108993 /nfs/dbraw/zinc/10/89/93/144108993.db2.gz UYHMXHDTULIZHF-UHFFFAOYSA-N 2 2 271.405 0.243 20 0 CCADLP CC(C)OC[C@H](O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357722744 144116701 /nfs/dbraw/zinc/11/67/01/144116701.db2.gz MNXHLVJLICXMFF-CQSZACIVSA-N 2 2 274.405 0.161 20 0 CCADLP CC(C)OC[C@H](O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357722744 144116703 /nfs/dbraw/zinc/11/67/03/144116703.db2.gz MNXHLVJLICXMFF-CQSZACIVSA-N 2 2 274.405 0.161 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000360102956 397473170 /nfs/dbraw/zinc/47/31/70/397473170.db2.gz FYYIOMAAODNCRW-NSHDSACASA-N 2 2 265.361 0.513 20 0 CCADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000357922666 144133733 /nfs/dbraw/zinc/13/37/33/144133733.db2.gz NSDYGUQOTBUNMR-STQMWFEESA-N 2 2 290.367 0.021 20 0 CCADLP C[C@H](C(=O)N1CCC(C[NH+](C)C)CC1)[NH+]1CCN(C)CC1 ZINC000358013905 144142324 /nfs/dbraw/zinc/14/23/24/144142324.db2.gz LUZDLLLBSSUJSW-CQSZACIVSA-N 2 2 296.459 0.423 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2nncn2C)CC1 ZINC000358803681 144180525 /nfs/dbraw/zinc/18/05/25/144180525.db2.gz FXMJVVUGWHGFEM-VXGBXAGGSA-N 2 2 294.403 0.018 20 0 CCADLP [NH3+]C[C@@H](C(=O)NCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000358859927 144183538 /nfs/dbraw/zinc/18/35/38/144183538.db2.gz QCDGMFJHBOTOSE-CYBMUJFWSA-N 2 2 276.315 0.881 20 0 CCADLP C[C@@H](O)CCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369373231 144266278 /nfs/dbraw/zinc/26/62/78/144266278.db2.gz OEIAZGQAIDUTLK-OLZOCXBDSA-N 2 2 298.431 0.225 20 0 CCADLP C[C@@H](O)CCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369373231 144266279 /nfs/dbraw/zinc/26/62/79/144266279.db2.gz OEIAZGQAIDUTLK-OLZOCXBDSA-N 2 2 298.431 0.225 20 0 CCADLP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCN(c2cccc[nH+]2)CC1 ZINC000369804459 144280073 /nfs/dbraw/zinc/28/00/73/144280073.db2.gz GTBYLDLCBBJIOY-BBRMVZONSA-N 2 2 286.379 0.730 20 0 CCADLP C[NH+]1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000370427695 144302403 /nfs/dbraw/zinc/30/24/03/144302403.db2.gz IBGZWBJVOVDTRR-CQSZACIVSA-N 2 2 281.400 0.261 20 0 CCADLP C[NH+]1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000370427695 144302404 /nfs/dbraw/zinc/30/24/04/144302404.db2.gz IBGZWBJVOVDTRR-CQSZACIVSA-N 2 2 281.400 0.261 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000372026780 144350267 /nfs/dbraw/zinc/35/02/67/144350267.db2.gz RTJHTWAUHKFREP-STQMWFEESA-N 2 2 274.368 0.776 20 0 CCADLP O=C(C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)NC(=O)NC1CC1 ZINC000580301923 397582261 /nfs/dbraw/zinc/58/22/61/397582261.db2.gz BPPSOAYXTFEICH-YPMHNXCESA-N 2 2 294.399 0.439 20 0 CCADLP O=C(C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)NC(=O)NC1CC1 ZINC000580301923 397582264 /nfs/dbraw/zinc/58/22/64/397582264.db2.gz BPPSOAYXTFEICH-YPMHNXCESA-N 2 2 294.399 0.439 20 0 CCADLP COC1(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)CCCC1 ZINC000319855327 292121788 /nfs/dbraw/zinc/12/17/88/292121788.db2.gz LLYFTGPVEHRTGA-CYBMUJFWSA-N 2 2 255.406 0.781 20 0 CCADLP COC1(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)CCCC1 ZINC000319855327 292121789 /nfs/dbraw/zinc/12/17/89/292121789.db2.gz LLYFTGPVEHRTGA-CYBMUJFWSA-N 2 2 255.406 0.781 20 0 CCADLP CO[C@@H](CC(C)C)C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649684806 397655069 /nfs/dbraw/zinc/65/50/69/397655069.db2.gz CPXSJKPGEXJMHC-AWEZNQCLSA-N 2 2 285.432 0.753 20 0 CCADLP CO[C@@H](CC(C)C)C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649684806 397655071 /nfs/dbraw/zinc/65/50/71/397655071.db2.gz CPXSJKPGEXJMHC-AWEZNQCLSA-N 2 2 285.432 0.753 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](CCOCC2CCCC2)CC1=O ZINC000649685008 397655456 /nfs/dbraw/zinc/65/54/56/397655456.db2.gz KTHVLOZKBHADLT-UHFFFAOYSA-N 2 2 297.443 0.899 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](CCOCC2CCCC2)CC1=O ZINC000649685008 397655459 /nfs/dbraw/zinc/65/54/59/397655459.db2.gz KTHVLOZKBHADLT-UHFFFAOYSA-N 2 2 297.443 0.899 20 0 CCADLP C[C@H]1CC[C@H](C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)O1 ZINC000649685627 397656357 /nfs/dbraw/zinc/65/63/57/397656357.db2.gz HGICTYULBAYOKU-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@H]1CC[C@H](C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)O1 ZINC000649685627 397656359 /nfs/dbraw/zinc/65/63/59/397656359.db2.gz HGICTYULBAYOKU-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP c1ccc(C[NH+]2CCN(C[C@H]3CC[NH2+]C3)CC2)nc1 ZINC000649414472 397608651 /nfs/dbraw/zinc/60/86/51/397608651.db2.gz AIFOEFGGWLLLGN-AWEZNQCLSA-N 2 2 260.385 0.809 20 0 CCADLP c1ccc(CN2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)nc1 ZINC000649414472 397608652 /nfs/dbraw/zinc/60/86/52/397608652.db2.gz AIFOEFGGWLLLGN-AWEZNQCLSA-N 2 2 260.385 0.809 20 0 CCADLP CC[C@@H]1C[N@H+](Cc2csc(CC(=O)NC)n2)CC[C@H]1[NH3+] ZINC000649417167 397609850 /nfs/dbraw/zinc/60/98/50/397609850.db2.gz ZPLKREKLNBJDPC-ZYHUDNBSSA-N 2 2 296.440 0.991 20 0 CCADLP CC[C@@H]1C[N@@H+](Cc2csc(CC(=O)NC)n2)CC[C@H]1[NH3+] ZINC000649417167 397609852 /nfs/dbraw/zinc/60/98/52/397609852.db2.gz ZPLKREKLNBJDPC-ZYHUDNBSSA-N 2 2 296.440 0.991 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(Cn2cnnc2)CC1)C1CC1 ZINC000649785113 397668274 /nfs/dbraw/zinc/66/82/74/397668274.db2.gz XEXMWTBGRPGAAT-OAHLLOKOSA-N 2 2 293.415 0.445 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(Cn2cnnc2)CC1)C1CC1 ZINC000649785113 397668277 /nfs/dbraw/zinc/66/82/77/397668277.db2.gz XEXMWTBGRPGAAT-OAHLLOKOSA-N 2 2 293.415 0.445 20 0 CCADLP Cc1c[nH]nc1C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000685613028 545844507 /nfs/dbraw/zinc/84/45/07/545844507.db2.gz UASZXHBODONWJM-UHFFFAOYSA-N 2 2 265.405 0.835 20 0 CCADLP Cc1cn[nH]c1C[NH2+]CCCCN1CC[NH+](C)CC1 ZINC000685613028 545844513 /nfs/dbraw/zinc/84/45/13/545844513.db2.gz UASZXHBODONWJM-UHFFFAOYSA-N 2 2 265.405 0.835 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000422921986 296584898 /nfs/dbraw/zinc/58/48/98/296584898.db2.gz ROHRKZCVESFWER-GRYCIOLGSA-N 2 2 253.390 0.973 20 0 CCADLP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000548122089 286007920 /nfs/dbraw/zinc/00/79/20/286007920.db2.gz OILNNWPOGSSMEI-QWHCGFSZSA-N 2 2 285.432 0.990 20 0 CCADLP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000548122089 286007921 /nfs/dbraw/zinc/00/79/21/286007921.db2.gz OILNNWPOGSSMEI-QWHCGFSZSA-N 2 2 285.432 0.990 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000548192335 286015512 /nfs/dbraw/zinc/01/55/12/286015512.db2.gz CVKNZACXNSJWCB-LLVKDONJSA-N 2 2 250.346 0.515 20 0 CCADLP C[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C[N@@H+]1C1CC1 ZINC000548256771 286020392 /nfs/dbraw/zinc/02/03/92/286020392.db2.gz BWRUONSTZGGZRT-QWRGUYRKSA-N 2 2 262.357 0.704 20 0 CCADLP C[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C[N@H+]1C1CC1 ZINC000548256771 286020393 /nfs/dbraw/zinc/02/03/93/286020393.db2.gz BWRUONSTZGGZRT-QWRGUYRKSA-N 2 2 262.357 0.704 20 0 CCADLP C[C@H]1C[C@H](C)[NH+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000548425160 286035006 /nfs/dbraw/zinc/03/50/06/286035006.db2.gz SIQOTZNITABYTE-STQMWFEESA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@H](C)[N@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC000548519299 286045030 /nfs/dbraw/zinc/04/50/30/286045030.db2.gz VOIIPHMWGMIBAN-NSHDSACASA-N 2 2 252.362 0.809 20 0 CCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC000548519299 286045031 /nfs/dbraw/zinc/04/50/31/286045031.db2.gz VOIIPHMWGMIBAN-NSHDSACASA-N 2 2 252.362 0.809 20 0 CCADLP Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)C[NH3+])cc1 ZINC000430839559 292197849 /nfs/dbraw/zinc/19/78/49/292197849.db2.gz TVRRTWHDNCWZIM-CQSZACIVSA-N 2 2 277.368 0.443 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1c1nc(C)[nH+]c(N(C)C)n1 ZINC000549260929 286090988 /nfs/dbraw/zinc/09/09/88/286090988.db2.gz LMACJAXZZYXXHA-NSHDSACASA-N 2 2 264.377 0.776 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1c1nc(C)[nH+]c(N(C)C)n1 ZINC000549260929 286090989 /nfs/dbraw/zinc/09/09/89/286090989.db2.gz LMACJAXZZYXXHA-NSHDSACASA-N 2 2 264.377 0.776 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000551953227 286139815 /nfs/dbraw/zinc/13/98/15/286139815.db2.gz XAQMSBRAYRLFCQ-CHWSQXEVSA-N 2 2 269.389 0.117 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000551953227 286139816 /nfs/dbraw/zinc/13/98/16/286139816.db2.gz XAQMSBRAYRLFCQ-CHWSQXEVSA-N 2 2 269.389 0.117 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)CCCC[NH+](C)C)CCO1 ZINC000552566062 286169588 /nfs/dbraw/zinc/16/95/88/286169588.db2.gz QTDIMEXIFKTXFC-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)CCCC[NH+](C)C)CCO1 ZINC000552566062 286169590 /nfs/dbraw/zinc/16/95/90/286169590.db2.gz QTDIMEXIFKTXFC-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423246392 286624530 /nfs/dbraw/zinc/62/45/30/286624530.db2.gz ZKCYTELPBZVHII-SDDRHHMPSA-N 2 2 260.403 0.684 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424450536 286848914 /nfs/dbraw/zinc/84/89/14/286848914.db2.gz ARCZGOZOFBXOBC-YNEHKIRRSA-N 2 2 284.404 0.276 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCC(=O)N1CCCCC1 ZINC000134202451 286892287 /nfs/dbraw/zinc/89/22/87/286892287.db2.gz KNTRLBZJGBAZSL-UONOGXRCSA-N 2 2 283.416 0.746 20 0 CCADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC(F)(F)F)C2 ZINC000311735286 411751499 /nfs/dbraw/zinc/75/14/99/411751499.db2.gz RULIKUBJLODWME-ONGXEEELSA-N 2 2 279.306 0.726 20 0 CCADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC(F)(F)F)C2 ZINC000311735286 411751504 /nfs/dbraw/zinc/75/15/04/411751504.db2.gz RULIKUBJLODWME-ONGXEEELSA-N 2 2 279.306 0.726 20 0 CCADLP C[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCCC[NH2+]1 ZINC000400186357 411778146 /nfs/dbraw/zinc/77/81/46/411778146.db2.gz RNVQQFMAUGKJTI-TUAOUCFPSA-N 2 2 275.418 0.141 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cc3cnccc3o2)C1 ZINC000651762745 411930513 /nfs/dbraw/zinc/93/05/13/411930513.db2.gz MOCPBKQAABBKBL-AWEZNQCLSA-N 2 2 261.325 0.984 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cc3cnccc3o2)C1 ZINC000651762745 411930517 /nfs/dbraw/zinc/93/05/17/411930517.db2.gz MOCPBKQAABBKBL-AWEZNQCLSA-N 2 2 261.325 0.984 20 0 CCADLP Cn1nccc1[C@@H]1COCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000652363549 412038912 /nfs/dbraw/zinc/03/89/12/412038912.db2.gz HLHZUOOZKGGGGF-OCCSQVGLSA-N 2 2 264.373 0.793 20 0 CCADLP Cn1nccc1[C@@H]1COCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000652363549 412038916 /nfs/dbraw/zinc/03/89/16/412038916.db2.gz HLHZUOOZKGGGGF-OCCSQVGLSA-N 2 2 264.373 0.793 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCc1ccc2c(c1)CCO2 ZINC000653090099 412214507 /nfs/dbraw/zinc/21/45/07/412214507.db2.gz FDAFFKTXRWQXJU-CQSZACIVSA-N 2 2 291.395 0.559 20 0 CCADLP C[C@@H](CC(=O)N(C)CCN1CC[NH2+]CC1)n1cc[nH+]c1 ZINC000653049324 412201619 /nfs/dbraw/zinc/20/16/19/412201619.db2.gz CTKMTQLIZVLHEU-ZDUSSCGKSA-N 2 2 279.388 0.198 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC[NH2+]C1CCCCCC1 ZINC000653053468 412202844 /nfs/dbraw/zinc/20/28/44/412202844.db2.gz LUKODAVKOKFRRL-CQSZACIVSA-N 3 2 284.448 0.694 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCc1ccc(F)cc1 ZINC000653057983 412204906 /nfs/dbraw/zinc/20/49/06/412204906.db2.gz ZOSRKADKEAAVIU-CYBMUJFWSA-N 2 2 267.348 0.763 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC(=O)Nc1ccccc1 ZINC000653074520 412210032 /nfs/dbraw/zinc/21/00/32/412210032.db2.gz LALGTAWCBFRCSZ-LBPRGKRZSA-N 2 2 278.356 0.020 20 0 CCADLP [NH3+]CC1(CCNC(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000653221069 412261039 /nfs/dbraw/zinc/26/10/39/412261039.db2.gz GFZYEAYUZGYERO-UHFFFAOYSA-N 2 2 286.339 0.521 20 0 CCADLP CO[C@@H]1CCCC[C@H]1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653255766 412272327 /nfs/dbraw/zinc/27/23/27/412272327.db2.gz DKJLVGBHFJNCFD-QJPTWQEYSA-N 2 2 257.378 0.339 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N(C)Cc1cnn(C)c1 ZINC000653299562 412285420 /nfs/dbraw/zinc/28/54/20/412285420.db2.gz ZYQIXIPEOKVGQK-YPMHNXCESA-N 2 2 279.388 0.190 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N(C)Cc1cnn(C)c1 ZINC000653299562 412285425 /nfs/dbraw/zinc/28/54/25/412285425.db2.gz ZYQIXIPEOKVGQK-YPMHNXCESA-N 2 2 279.388 0.190 20 0 CCADLP Cn1c2ccc(F)cc2nc1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653102472 412218605 /nfs/dbraw/zinc/21/86/05/412218605.db2.gz YZBAYENWORAKJH-SNVBAGLBSA-N 2 2 293.346 0.930 20 0 CCADLP C[C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000653109940 412222220 /nfs/dbraw/zinc/22/22/20/412222220.db2.gz SAXGNKZMWOBSBH-MCIONIFRSA-N 3 2 284.448 0.502 20 0 CCADLP C[C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000653109940 412222222 /nfs/dbraw/zinc/22/22/22/412222222.db2.gz SAXGNKZMWOBSBH-MCIONIFRSA-N 3 2 284.448 0.502 20 0 CCADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653110376 412222956 /nfs/dbraw/zinc/22/29/56/412222956.db2.gz GAQWBUZBZMHVHK-HUUCEWRRSA-N 3 2 298.475 0.894 20 0 CCADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653110376 412222960 /nfs/dbraw/zinc/22/29/60/412222960.db2.gz GAQWBUZBZMHVHK-HUUCEWRRSA-N 3 2 298.475 0.894 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)CCO1 ZINC000653114399 412225578 /nfs/dbraw/zinc/22/55/78/412225578.db2.gz GQZSEMYBFSMAKD-ZIAGYGMSSA-N 2 2 295.427 0.744 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)CCO1 ZINC000653114399 412225581 /nfs/dbraw/zinc/22/55/81/412225581.db2.gz GQZSEMYBFSMAKD-ZIAGYGMSSA-N 2 2 295.427 0.744 20 0 CCADLP CCc1nc(CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)cs1 ZINC000653114470 412225607 /nfs/dbraw/zinc/22/56/07/412225607.db2.gz JDPVCUFANFDXGA-NSHDSACASA-N 2 2 284.429 0.643 20 0 CCADLP CN1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)c2cccnc21 ZINC000653120125 412229922 /nfs/dbraw/zinc/22/99/22/412229922.db2.gz GPEUFJRERYFDOW-NSHDSACASA-N 2 2 277.372 0.143 20 0 CCADLP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653122001 412230700 /nfs/dbraw/zinc/23/07/00/412230700.db2.gz IFTUDIMFYIMQHL-KBPBESRZSA-N 3 2 284.448 0.456 20 0 CCADLP CN(C)c1cc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc[nH+]1 ZINC000653122841 412232900 /nfs/dbraw/zinc/23/29/00/412232900.db2.gz FQOMJOFEIQSVDW-NSHDSACASA-N 3 2 265.361 0.365 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000653122355 412233181 /nfs/dbraw/zinc/23/31/81/412233181.db2.gz UTWSWJRLGSETBK-CABCVRRESA-N 3 2 296.459 0.600 20 0 CCADLP [NH3+]C1(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CCC1 ZINC000653129168 412234784 /nfs/dbraw/zinc/23/47/84/412234784.db2.gz WQOJMGOONPQPKV-UHFFFAOYSA-N 2 2 262.357 0.760 20 0 CCADLP CCN(Cc1ccncc1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653148383 412242564 /nfs/dbraw/zinc/24/25/64/412242564.db2.gz YVVXINGQJKQWGQ-CYBMUJFWSA-N 2 2 264.373 0.709 20 0 CCADLP CCc1ccnc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000653151467 412243881 /nfs/dbraw/zinc/24/38/81/412243881.db2.gz HUQCEMVWDUSFKD-CYBMUJFWSA-N 2 2 264.373 0.539 20 0 CCADLP CCN(CCC[NH+](C)C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653153331 412244696 /nfs/dbraw/zinc/24/46/96/412244696.db2.gz MASKWSANHLTJKM-LBPRGKRZSA-N 3 2 258.410 0.066 20 0 CCADLP Cc1ccsc1CCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653159295 412246312 /nfs/dbraw/zinc/24/63/12/412246312.db2.gz ZUQWWALWCCEKOY-LLVKDONJSA-N 2 2 269.414 0.994 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC1(C2CC2)CCC1 ZINC000653157792 412246694 /nfs/dbraw/zinc/24/66/94/412246694.db2.gz LYQFKMPBRMTRFE-LBPRGKRZSA-N 2 2 253.390 0.962 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cncnc1N1CCCC1 ZINC000653156844 412247066 /nfs/dbraw/zinc/24/70/66/412247066.db2.gz NQKNZGNHTHXZLC-NSHDSACASA-N 2 2 292.387 0.294 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000653162652 412248793 /nfs/dbraw/zinc/24/87/93/412248793.db2.gz VTPVVLGDZBSHFG-CABCVRRESA-N 3 2 292.427 0.862 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000653167070 412249410 /nfs/dbraw/zinc/24/94/10/412249410.db2.gz HJWMGQWWPPGEDL-LSDHHAIUSA-N 3 2 290.411 0.350 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000653499585 412308108 /nfs/dbraw/zinc/30/81/08/412308108.db2.gz SZZIJMKVMORZKW-OLZOCXBDSA-N 2 2 266.389 0.902 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000653499585 412308111 /nfs/dbraw/zinc/30/81/11/412308111.db2.gz SZZIJMKVMORZKW-OLZOCXBDSA-N 2 2 266.389 0.902 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000653499585 412308112 /nfs/dbraw/zinc/30/81/12/412308112.db2.gz SZZIJMKVMORZKW-OLZOCXBDSA-N 2 2 266.389 0.902 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](n2ccnc2)C1 ZINC000653547150 412316403 /nfs/dbraw/zinc/31/64/03/412316403.db2.gz ASOXXAQNCJTYKO-KGLIPLIRSA-N 2 2 266.389 0.833 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](n2ccnc2)C1 ZINC000653547150 412316406 /nfs/dbraw/zinc/31/64/06/412316406.db2.gz ASOXXAQNCJTYKO-KGLIPLIRSA-N 2 2 266.389 0.833 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000653547150 412316409 /nfs/dbraw/zinc/31/64/09/412316409.db2.gz ASOXXAQNCJTYKO-KGLIPLIRSA-N 2 2 266.389 0.833 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000653547150 412316411 /nfs/dbraw/zinc/31/64/11/412316411.db2.gz ASOXXAQNCJTYKO-KGLIPLIRSA-N 2 2 266.389 0.833 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1COC ZINC000653564728 412319182 /nfs/dbraw/zinc/31/91/82/412319182.db2.gz JVQFLHWBKLMVTO-CHWSQXEVSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1COC ZINC000653564728 412319184 /nfs/dbraw/zinc/31/91/84/412319184.db2.gz JVQFLHWBKLMVTO-CHWSQXEVSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1COC ZINC000653564728 412319186 /nfs/dbraw/zinc/31/91/86/412319186.db2.gz JVQFLHWBKLMVTO-CHWSQXEVSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1COC ZINC000653564728 412319188 /nfs/dbraw/zinc/31/91/88/412319188.db2.gz JVQFLHWBKLMVTO-CHWSQXEVSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccc(OC)nc1 ZINC000653587627 412321286 /nfs/dbraw/zinc/32/12/86/412321286.db2.gz LEXBMXAQVRODRU-CQSZACIVSA-N 2 2 297.399 0.461 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccc(OC)nc1 ZINC000653587627 412321288 /nfs/dbraw/zinc/32/12/88/412321288.db2.gz LEXBMXAQVRODRU-CQSZACIVSA-N 2 2 297.399 0.461 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccc(OC)nc1 ZINC000653587627 412321292 /nfs/dbraw/zinc/32/12/92/412321292.db2.gz LEXBMXAQVRODRU-CQSZACIVSA-N 2 2 297.399 0.461 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000653593704 412322788 /nfs/dbraw/zinc/32/27/88/412322788.db2.gz LRJIHFMIGRSRDE-LLVKDONJSA-N 2 2 278.343 0.657 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000653593704 412322791 /nfs/dbraw/zinc/32/27/91/412322791.db2.gz LRJIHFMIGRSRDE-LLVKDONJSA-N 2 2 278.343 0.657 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](OC)CC1 ZINC000653612861 412324256 /nfs/dbraw/zinc/32/42/56/412324256.db2.gz JXBRFESBJXSKKS-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](OC)CC1 ZINC000653612861 412324260 /nfs/dbraw/zinc/32/42/60/412324260.db2.gz JXBRFESBJXSKKS-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](OC)CC1 ZINC000653612861 412324265 /nfs/dbraw/zinc/32/42/65/412324265.db2.gz JXBRFESBJXSKKS-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](OC)CC1 ZINC000653612861 412324267 /nfs/dbraw/zinc/32/42/67/412324267.db2.gz JXBRFESBJXSKKS-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](OC(F)F)C1 ZINC000653611335 412325061 /nfs/dbraw/zinc/32/50/61/412325061.db2.gz UZCHXZJDFCLYNQ-NEPJUHHUSA-N 2 2 296.358 0.629 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](OC(F)F)C1 ZINC000653611335 412325065 /nfs/dbraw/zinc/32/50/65/412325065.db2.gz UZCHXZJDFCLYNQ-NEPJUHHUSA-N 2 2 296.358 0.629 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000653611335 412325069 /nfs/dbraw/zinc/32/50/69/412325069.db2.gz UZCHXZJDFCLYNQ-NEPJUHHUSA-N 2 2 296.358 0.629 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000653635329 412327177 /nfs/dbraw/zinc/32/71/77/412327177.db2.gz HSPNGJXYLJEDGL-AJNGGQMLSA-N 2 2 288.432 0.407 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000653635329 412327180 /nfs/dbraw/zinc/32/71/80/412327180.db2.gz HSPNGJXYLJEDGL-AJNGGQMLSA-N 2 2 288.432 0.407 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000653635329 412327181 /nfs/dbraw/zinc/32/71/81/412327181.db2.gz HSPNGJXYLJEDGL-AJNGGQMLSA-N 2 2 288.432 0.407 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000653635329 412327185 /nfs/dbraw/zinc/32/71/85/412327185.db2.gz HSPNGJXYLJEDGL-AJNGGQMLSA-N 2 2 288.432 0.407 20 0 CCADLP C[C@H](O)CC[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000653689597 412336101 /nfs/dbraw/zinc/33/61/01/412336101.db2.gz BSNZGHFRJJEHFZ-STQMWFEESA-N 2 2 256.390 0.942 20 0 CCADLP C[C@H](O)CC[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000653689597 412336102 /nfs/dbraw/zinc/33/61/02/412336102.db2.gz BSNZGHFRJJEHFZ-STQMWFEESA-N 2 2 256.390 0.942 20 0 CCADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC000653690420 412336294 /nfs/dbraw/zinc/33/62/94/412336294.db2.gz VZHUTGSSZSPUIQ-STQMWFEESA-N 2 2 281.400 0.450 20 0 CCADLP C[C@H]1COCC[N@H+]1C1CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC000653690420 412336296 /nfs/dbraw/zinc/33/62/96/412336296.db2.gz VZHUTGSSZSPUIQ-STQMWFEESA-N 2 2 281.400 0.450 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1nc2c(s1)C(=O)CCC2 ZINC000653346660 412292265 /nfs/dbraw/zinc/29/22/65/412292265.db2.gz CLOAENTXPWDSQV-MRVPVSSYSA-N 2 2 296.396 0.880 20 0 CCADLP CC[C@](C)(CO)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000654857335 412445505 /nfs/dbraw/zinc/44/55/05/412445505.db2.gz NANLWQALEZFTKQ-OAHLLOKOSA-N 2 2 285.432 0.537 20 0 CCADLP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000654928876 412450946 /nfs/dbraw/zinc/45/09/46/412450946.db2.gz SVRBBZOJHXSVSL-UPJWGTAASA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000654928876 412450949 /nfs/dbraw/zinc/45/09/49/412450949.db2.gz SVRBBZOJHXSVSL-UPJWGTAASA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H](NC(=O)C[NH+]1CC[C@@H](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000654928876 412450951 /nfs/dbraw/zinc/45/09/51/412450951.db2.gz SVRBBZOJHXSVSL-UPJWGTAASA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H](NC(=O)C[NH+]1CC[C@@H](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000654928876 412450953 /nfs/dbraw/zinc/45/09/53/412450953.db2.gz SVRBBZOJHXSVSL-UPJWGTAASA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H](C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)[NH+]1CCOCC1 ZINC000654927627 412451455 /nfs/dbraw/zinc/45/14/55/412451455.db2.gz VITBKYHRZGQVFG-RRFJBIMHSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H](C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)[NH+]1CCOCC1 ZINC000654927627 412451458 /nfs/dbraw/zinc/45/14/58/412451458.db2.gz VITBKYHRZGQVFG-RRFJBIMHSA-N 2 2 295.427 0.650 20 0 CCADLP Cc1nc(N)c(CNC(=O)C[NH+]2CC(C)(C)C2)c[nH+]1 ZINC000655073005 412473712 /nfs/dbraw/zinc/47/37/12/412473712.db2.gz AVPQIKXSBZRTCZ-UHFFFAOYSA-N 2 2 263.345 0.325 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c1 ZINC000659503311 413555281 /nfs/dbraw/zinc/55/52/81/413555281.db2.gz QDFRRAARGAUNFQ-GHMZBOCLSA-N 2 2 269.324 0.043 20 0 CCADLP C[C@H](NC(=O)NC[C@@H]1CCC[NH2+]1)c1[nH+]ccn1C ZINC000659517239 413584361 /nfs/dbraw/zinc/58/43/61/413584361.db2.gz ZMZMAJIFZDCGPE-UWVGGRQHSA-N 2 2 251.334 0.532 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000659518712 413586732 /nfs/dbraw/zinc/58/67/32/413586732.db2.gz ZXGNXLKAELQQPN-UWVGGRQHSA-N 2 2 253.350 0.764 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000659518716 413587928 /nfs/dbraw/zinc/58/79/28/413587928.db2.gz ZXGNXLKAELQQPN-VHSXEESVSA-N 2 2 253.350 0.764 20 0 CCADLP COC[C@@]1(CNC(=O)N[C@@H](C)c2[nH+]ccn2C)CCC[NH2+]1 ZINC000659540496 413628622 /nfs/dbraw/zinc/62/86/22/413628622.db2.gz DRTJNJIPKNMEBH-FZMZJTMJSA-N 2 2 295.387 0.549 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000659640700 413744379 /nfs/dbraw/zinc/74/43/79/413744379.db2.gz IEVRTHGLXGYCCT-GFCCVEGCSA-N 2 2 277.372 0.521 20 0 CCADLP CO[C@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C1CCCC1 ZINC000659611815 413700205 /nfs/dbraw/zinc/70/02/05/413700205.db2.gz OKSFFNPRVJLUNT-UONOGXRCSA-N 2 2 298.431 0.476 20 0 CCADLP CO[C@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C1CCCC1 ZINC000659611815 413700212 /nfs/dbraw/zinc/70/02/12/413700212.db2.gz OKSFFNPRVJLUNT-UONOGXRCSA-N 2 2 298.431 0.476 20 0 CCADLP CCN1CC[C@@H]([NH+]2CCC([N@H+](C)CCCO)CC2)C1=O ZINC000659932074 413977477 /nfs/dbraw/zinc/97/74/77/413977477.db2.gz YLNSVHGMDCLKNL-CQSZACIVSA-N 2 2 283.416 0.386 20 0 CCADLP CCN1CC[C@@H]([NH+]2CCC([N@@H+](C)CCCO)CC2)C1=O ZINC000659932074 413977485 /nfs/dbraw/zinc/97/74/85/413977485.db2.gz YLNSVHGMDCLKNL-CQSZACIVSA-N 2 2 283.416 0.386 20 0 CCADLP CCN(C(=O)CCn1cc[nH+]c1)C1CC[NH2+]CC1 ZINC000037537388 173256882 /nfs/dbraw/zinc/25/68/82/173256882.db2.gz UKKAEUHIYQCYQX-UHFFFAOYSA-N 2 2 250.346 0.874 20 0 CCADLP COC[C@H](C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1)OC ZINC000660130468 414138876 /nfs/dbraw/zinc/13/88/76/414138876.db2.gz XEHWMFSRLJXQSB-NEPJUHHUSA-N 2 2 253.346 0.871 20 0 CCADLP COC[C@H](C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1)OC ZINC000660130468 414138888 /nfs/dbraw/zinc/13/88/88/414138888.db2.gz XEHWMFSRLJXQSB-NEPJUHHUSA-N 2 2 253.346 0.871 20 0 CCADLP COCCO[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000660140283 414142719 /nfs/dbraw/zinc/14/27/19/414142719.db2.gz NIOABLFSYFZGLQ-CABCVRRESA-N 2 2 288.432 0.815 20 0 CCADLP COCCO[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000660140283 414142727 /nfs/dbraw/zinc/14/27/27/414142727.db2.gz NIOABLFSYFZGLQ-CABCVRRESA-N 2 2 288.432 0.815 20 0 CCADLP COCCO[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000660140283 414142738 /nfs/dbraw/zinc/14/27/38/414142738.db2.gz NIOABLFSYFZGLQ-CABCVRRESA-N 2 2 288.432 0.815 20 0 CCADLP COCCO[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000660140283 414142750 /nfs/dbraw/zinc/14/27/50/414142750.db2.gz NIOABLFSYFZGLQ-CABCVRRESA-N 2 2 288.432 0.815 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000660091123 414105535 /nfs/dbraw/zinc/10/55/35/414105535.db2.gz JSHPRGKWDLEYDC-GHMZBOCLSA-N 2 2 259.394 0.177 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000660091123 414105540 /nfs/dbraw/zinc/10/55/40/414105540.db2.gz JSHPRGKWDLEYDC-GHMZBOCLSA-N 2 2 259.394 0.177 20 0 CCADLP COC[C@@H](C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1)OC ZINC000660279319 414225142 /nfs/dbraw/zinc/22/51/42/414225142.db2.gz DRNUWQLAZHBKSB-CYBMUJFWSA-N 2 2 280.372 0.568 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](CCO)[C@@H]1CCO[C@H]1C ZINC000660455491 414335386 /nfs/dbraw/zinc/33/53/86/414335386.db2.gz BUSPDIBJMJRFFD-MELADBBJSA-N 2 2 274.405 0.159 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](CCO)[C@@H]1CCO[C@H]1C ZINC000660455491 414335392 /nfs/dbraw/zinc/33/53/92/414335392.db2.gz BUSPDIBJMJRFFD-MELADBBJSA-N 2 2 274.405 0.159 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](CCO)[C@@H]1CCO[C@H]1C ZINC000660455491 414335399 /nfs/dbraw/zinc/33/53/99/414335399.db2.gz BUSPDIBJMJRFFD-MELADBBJSA-N 2 2 274.405 0.159 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](CCO)[C@@H]1CCO[C@H]1C ZINC000660455491 414335404 /nfs/dbraw/zinc/33/54/04/414335404.db2.gz BUSPDIBJMJRFFD-MELADBBJSA-N 2 2 274.405 0.159 20 0 CCADLP CNC(=O)CC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660473143 414342801 /nfs/dbraw/zinc/34/28/01/414342801.db2.gz PDDRMELRFKWMHL-ZDUSSCGKSA-N 2 2 269.389 0.309 20 0 CCADLP CNC(=O)CC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660473143 414342808 /nfs/dbraw/zinc/34/28/08/414342808.db2.gz PDDRMELRFKWMHL-ZDUSSCGKSA-N 2 2 269.389 0.309 20 0 CCADLP CC[C@@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660472273 414345237 /nfs/dbraw/zinc/34/52/37/414345237.db2.gz IPWAFIZQVRMLIF-UONOGXRCSA-N 2 2 256.390 0.944 20 0 CCADLP CC[C@@H](O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660472273 414345243 /nfs/dbraw/zinc/34/52/43/414345243.db2.gz IPWAFIZQVRMLIF-UONOGXRCSA-N 2 2 256.390 0.944 20 0 CCADLP C[N@@H+]1CC[C@@]2(CC[NH+](CCc3nnn(C(C)(C)C)n3)C2)C1 ZINC000660616305 414414809 /nfs/dbraw/zinc/41/48/09/414414809.db2.gz JIGVBPUVQLWWNF-OAHLLOKOSA-N 2 2 292.431 0.998 20 0 CCADLP C[N@H+]1CC[C@@]2(CC[NH+](CCc3nnn(C(C)(C)C)n3)C2)C1 ZINC000660616305 414414810 /nfs/dbraw/zinc/41/48/10/414414810.db2.gz JIGVBPUVQLWWNF-OAHLLOKOSA-N 2 2 292.431 0.998 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@H+](CCc3nnn(C(C)(C)C)n3)C2)C1 ZINC000660616305 414414811 /nfs/dbraw/zinc/41/48/11/414414811.db2.gz JIGVBPUVQLWWNF-OAHLLOKOSA-N 2 2 292.431 0.998 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@@H+](CCc3nnn(C(C)(C)C)n3)C2)C1 ZINC000660616305 414414812 /nfs/dbraw/zinc/41/48/12/414414812.db2.gz JIGVBPUVQLWWNF-OAHLLOKOSA-N 2 2 292.431 0.998 20 0 CCADLP CC[N@@H+]1CC[C@H]2OCCN(Cc3cn(C)c[nH+]3)[C@H]2C1 ZINC000660639652 414421396 /nfs/dbraw/zinc/42/13/96/414421396.db2.gz NZOCGIINOZEPHY-UONOGXRCSA-N 2 2 264.373 0.715 20 0 CCADLP CC[N@H+]1CC[C@H]2OCCN(Cc3cn(C)c[nH+]3)[C@H]2C1 ZINC000660639652 414421400 /nfs/dbraw/zinc/42/14/00/414421400.db2.gz NZOCGIINOZEPHY-UONOGXRCSA-N 2 2 264.373 0.715 20 0 CCADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)NC[C@@H]1CCCO1)C2 ZINC000660651876 414428096 /nfs/dbraw/zinc/42/80/96/414428096.db2.gz DNSAGTIDYFXVLW-GOEBONIOSA-N 2 2 295.427 0.699 20 0 CCADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)NC[C@@H]1CCCO1)C2 ZINC000660651876 414428099 /nfs/dbraw/zinc/42/80/99/414428099.db2.gz DNSAGTIDYFXVLW-GOEBONIOSA-N 2 2 295.427 0.699 20 0 CCADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC(=O)NC[C@@H]1CCCO1)C2 ZINC000660651876 414428100 /nfs/dbraw/zinc/42/81/00/414428100.db2.gz DNSAGTIDYFXVLW-GOEBONIOSA-N 2 2 295.427 0.699 20 0 CCADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC(=O)NC[C@@H]1CCCO1)C2 ZINC000660651876 414428104 /nfs/dbraw/zinc/42/81/04/414428104.db2.gz DNSAGTIDYFXVLW-GOEBONIOSA-N 2 2 295.427 0.699 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654205 414428890 /nfs/dbraw/zinc/42/88/90/414428890.db2.gz YKTSDSOQMAWHBW-TZMCWYRMSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654205 414428895 /nfs/dbraw/zinc/42/88/95/414428895.db2.gz YKTSDSOQMAWHBW-TZMCWYRMSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@H](C(=O)N(C)C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660654205 414428901 /nfs/dbraw/zinc/42/89/01/414428901.db2.gz YKTSDSOQMAWHBW-TZMCWYRMSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@H](C(=O)N(C)C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660654205 414428906 /nfs/dbraw/zinc/42/89/06/414428906.db2.gz YKTSDSOQMAWHBW-TZMCWYRMSA-N 2 2 253.390 0.881 20 0 CCADLP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000660696629 414446103 /nfs/dbraw/zinc/44/61/03/414446103.db2.gz SYMZUXZXBXRDII-CQSZACIVSA-N 2 2 286.416 0.474 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1n[nH]c(=O)o1 ZINC000660847043 414506556 /nfs/dbraw/zinc/50/65/56/414506556.db2.gz MKTXXRGVHLKACB-UHFFFAOYSA-N 2 2 251.290 0.802 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1n[nH]c(=O)o1 ZINC000660847043 414506560 /nfs/dbraw/zinc/50/65/60/414506560.db2.gz MKTXXRGVHLKACB-UHFFFAOYSA-N 2 2 251.290 0.802 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000040599627 174350254 /nfs/dbraw/zinc/35/02/54/174350254.db2.gz GNXNFNRENJMQEA-NSHDSACASA-N 2 2 270.377 0.154 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000040599627 174350255 /nfs/dbraw/zinc/35/02/55/174350255.db2.gz GNXNFNRENJMQEA-NSHDSACASA-N 2 2 270.377 0.154 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+](CCn2nc3ccccn3c2=O)C1 ZINC000040600312 174350917 /nfs/dbraw/zinc/35/09/17/174350917.db2.gz IEIUNPJZOPAGRR-ZDUSSCGKSA-N 2 2 289.383 0.427 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+](CCn2nc3ccccn3c2=O)C1 ZINC000040600312 174350918 /nfs/dbraw/zinc/35/09/18/174350918.db2.gz IEIUNPJZOPAGRR-ZDUSSCGKSA-N 2 2 289.383 0.427 20 0 CCADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C[C@H]1C[NH2+]CCO1 ZINC000662262013 414702126 /nfs/dbraw/zinc/70/21/26/414702126.db2.gz RMBJKZWWUMFNQZ-SNVBAGLBSA-N 2 2 292.305 0.866 20 0 CCADLP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000662266001 414703133 /nfs/dbraw/zinc/70/31/33/414703133.db2.gz VIMCPZJELYSNPL-STQMWFEESA-N 3 2 251.374 0.334 20 0 CCADLP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000662266001 414703134 /nfs/dbraw/zinc/70/31/34/414703134.db2.gz VIMCPZJELYSNPL-STQMWFEESA-N 3 2 251.374 0.334 20 0 CCADLP C[N@H+](CCc1nnn(C(C)(C)C)n1)[C@@H](C[NH3+])C1CC1 ZINC000662273584 414704088 /nfs/dbraw/zinc/70/40/88/414704088.db2.gz OOGDWCKPWJGIDO-NSHDSACASA-N 2 2 266.393 0.640 20 0 CCADLP C[N@@H+](CCc1nnn(C(C)(C)C)n1)[C@@H](C[NH3+])C1CC1 ZINC000662273584 414704089 /nfs/dbraw/zinc/70/40/89/414704089.db2.gz OOGDWCKPWJGIDO-NSHDSACASA-N 2 2 266.393 0.640 20 0 CCADLP CN(C)c1noc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000662274339 414704101 /nfs/dbraw/zinc/70/41/01/414704101.db2.gz VUIZGXFUENXXET-GFCCVEGCSA-N 2 2 279.388 0.957 20 0 CCADLP Cc1nnc([C@H](C)[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)[nH]1 ZINC000662274230 414704114 /nfs/dbraw/zinc/70/41/14/414704114.db2.gz SFNVKGNJUGQKBD-JQWIXIFHSA-N 2 2 279.388 0.861 20 0 CCADLP Cc1nnc([C@H](C)[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)[nH]1 ZINC000662274230 414704115 /nfs/dbraw/zinc/70/41/15/414704115.db2.gz SFNVKGNJUGQKBD-JQWIXIFHSA-N 2 2 279.388 0.861 20 0 CCADLP c1cc(C[NH+]2CCN(C[C@@H]3C[NH2+]CCO3)CC2)ccn1 ZINC000662276330 414704401 /nfs/dbraw/zinc/70/44/01/414704401.db2.gz HJXISXMRHPIZEC-HNNXBMFYSA-N 2 2 276.384 0.188 20 0 CCADLP C[C@H]1CC[N@H+](Cc2coc(S(N)(=O)=O)c2)C[C@@H]1C[NH3+] ZINC000662281107 414705319 /nfs/dbraw/zinc/70/53/19/414705319.db2.gz IKQVFENWRLOUAG-ONGXEEELSA-N 2 2 287.385 0.344 20 0 CCADLP C[C@H]1CC[N@@H+](Cc2coc(S(N)(=O)=O)c2)C[C@@H]1C[NH3+] ZINC000662281107 414705320 /nfs/dbraw/zinc/70/53/20/414705320.db2.gz IKQVFENWRLOUAG-ONGXEEELSA-N 2 2 287.385 0.344 20 0 CCADLP C[C@H]1CC2(C[N@@H+]1C[C@H]1C[NH2+]CCO1)CC[NH2+]CC2 ZINC000662283793 414706076 /nfs/dbraw/zinc/70/60/76/414706076.db2.gz QCNAAUSPCXIKQD-QWHCGFSZSA-N 3 2 253.390 0.439 20 0 CCADLP C[C@H]1CC2(C[N@H+]1C[C@H]1C[NH2+]CCO1)CC[NH2+]CC2 ZINC000662283793 414706077 /nfs/dbraw/zinc/70/60/77/414706077.db2.gz QCNAAUSPCXIKQD-QWHCGFSZSA-N 3 2 253.390 0.439 20 0 CCADLP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662287032 414706547 /nfs/dbraw/zinc/70/65/47/414706547.db2.gz QFWFOQUWHOWDMI-ZIAGYGMSSA-N 2 2 297.443 0.728 20 0 CCADLP [NH3+]CC[N@H+](CC[C@H]1CCc2ccccc21)C[C@H](O)CO ZINC000662286688 414706601 /nfs/dbraw/zinc/70/66/01/414706601.db2.gz XMCCNTOGKZTCQM-CABCVRRESA-N 2 2 278.396 0.720 20 0 CCADLP [NH3+]CC[N@@H+](CC[C@H]1CCc2ccccc21)C[C@H](O)CO ZINC000662286688 414706602 /nfs/dbraw/zinc/70/66/02/414706602.db2.gz XMCCNTOGKZTCQM-CABCVRRESA-N 2 2 278.396 0.720 20 0 CCADLP CCc1noc(C)c1C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662287257 414706875 /nfs/dbraw/zinc/70/68/75/414706875.db2.gz XFEVRYRHAUWZAD-UHFFFAOYSA-N 2 2 253.346 0.750 20 0 CCADLP Cn1nnc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000662295170 414707547 /nfs/dbraw/zinc/70/75/47/414707547.db2.gz UAMHKCCEJQHMBK-GFCCVEGCSA-N 2 2 264.377 0.422 20 0 CCADLP Cn1nnc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000662295170 414707548 /nfs/dbraw/zinc/70/75/48/414707548.db2.gz UAMHKCCEJQHMBK-GFCCVEGCSA-N 2 2 264.377 0.422 20 0 CCADLP CN(CC1CC1)C(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319835 414709163 /nfs/dbraw/zinc/70/91/63/414709163.db2.gz NPDQWIJYYPLQHU-OAHLLOKOSA-N 2 2 297.443 0.897 20 0 CCADLP CN(CC1CC1)C(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319835 414709164 /nfs/dbraw/zinc/70/91/64/414709164.db2.gz NPDQWIJYYPLQHU-OAHLLOKOSA-N 2 2 297.443 0.897 20 0 CCADLP C[NH+](C)CCC[C@@H]1CN(CCC[NH+]2CCOCC2)CCO1 ZINC000662322566 414709948 /nfs/dbraw/zinc/70/99/48/414709948.db2.gz VMZXARBAWLXVOB-MRXNPFEDSA-N 2 2 299.459 0.751 20 0 CCADLP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H](O)C(F)(F)F)CCO1 ZINC000662323098 414709958 /nfs/dbraw/zinc/70/99/58/414709958.db2.gz KSSGUAXQZSNPDA-MNOVXSKESA-N 2 2 284.322 0.952 20 0 CCADLP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@H](O)C(F)(F)F)CCO1 ZINC000662323098 414709959 /nfs/dbraw/zinc/70/99/59/414709959.db2.gz KSSGUAXQZSNPDA-MNOVXSKESA-N 2 2 284.322 0.952 20 0 CCADLP CN(C)C(=O)N(C)[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000662008365 414686543 /nfs/dbraw/zinc/68/65/43/414686543.db2.gz NCULMNZQMTUZGO-ZIAGYGMSSA-N 2 2 298.431 0.129 20 0 CCADLP CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000662008365 414686544 /nfs/dbraw/zinc/68/65/44/414686544.db2.gz NCULMNZQMTUZGO-ZIAGYGMSSA-N 2 2 298.431 0.129 20 0 CCADLP CN(C)C(=O)N(C)[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000662008365 414686545 /nfs/dbraw/zinc/68/65/45/414686545.db2.gz NCULMNZQMTUZGO-ZIAGYGMSSA-N 2 2 298.431 0.129 20 0 CCADLP CN(C)C(=O)N(C)[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000662008365 414686546 /nfs/dbraw/zinc/68/65/46/414686546.db2.gz NCULMNZQMTUZGO-ZIAGYGMSSA-N 2 2 298.431 0.129 20 0 CCADLP O[C@@H]1CC[N@@H+](C2CC[NH+](CCO[C@H]3CC3(F)F)CC2)C1 ZINC000662148425 414693294 /nfs/dbraw/zinc/69/32/94/414693294.db2.gz KEUJPWSEVVPPGP-OLZOCXBDSA-N 2 2 290.354 0.942 20 0 CCADLP O[C@@H]1CC[N@H+](C2CC[NH+](CCO[C@H]3CC3(F)F)CC2)C1 ZINC000662148425 414693295 /nfs/dbraw/zinc/69/32/95/414693295.db2.gz KEUJPWSEVVPPGP-OLZOCXBDSA-N 2 2 290.354 0.942 20 0 CCADLP Cc1nn(C)cc1C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662150611 414693535 /nfs/dbraw/zinc/69/35/35/414693535.db2.gz YFYZWOBFOAEFGQ-OAHLLOKOSA-N 2 2 278.400 0.760 20 0 CCADLP Cc1nn(C)cc1C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662150611 414693536 /nfs/dbraw/zinc/69/35/36/414693536.db2.gz YFYZWOBFOAEFGQ-OAHLLOKOSA-N 2 2 278.400 0.760 20 0 CCADLP CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662252551 414699777 /nfs/dbraw/zinc/69/97/77/414699777.db2.gz AGHLQSPENVEQHP-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP CCN(CC)C(=O)[C@@H]1CCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662252551 414699778 /nfs/dbraw/zinc/69/97/78/414699778.db2.gz AGHLQSPENVEQHP-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP Cc1noc([C@H]2CCC[N@H+](C[C@H]3C[NH2+]CCO3)C2)n1 ZINC000662252740 414699854 /nfs/dbraw/zinc/69/98/54/414699854.db2.gz NYCBLYUQZAEGTN-NWDGAFQWSA-N 2 2 266.345 0.546 20 0 CCADLP Cc1noc([C@H]2CCC[N@@H+](C[C@H]3C[NH2+]CCO3)C2)n1 ZINC000662252740 414699855 /nfs/dbraw/zinc/69/98/55/414699855.db2.gz NYCBLYUQZAEGTN-NWDGAFQWSA-N 2 2 266.345 0.546 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000662257693 414700773 /nfs/dbraw/zinc/70/07/73/414700773.db2.gz UMMVFHZSBYHDFC-KBPBESRZSA-N 2 2 254.374 0.867 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000662257693 414700774 /nfs/dbraw/zinc/70/07/74/414700774.db2.gz UMMVFHZSBYHDFC-KBPBESRZSA-N 2 2 254.374 0.867 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCc3cc(F)ccc32)[C@@H](C[NH3+])C1 ZINC000662430499 414717811 /nfs/dbraw/zinc/71/78/11/414717811.db2.gz YPZLRPNUCNIXSJ-DZGCQCFKSA-N 2 2 291.370 0.957 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2CCc3cc(F)ccc32)[C@@H](C[NH3+])C1 ZINC000662430499 414717812 /nfs/dbraw/zinc/71/78/12/414717812.db2.gz YPZLRPNUCNIXSJ-DZGCQCFKSA-N 2 2 291.370 0.957 20 0 CCADLP CC(C)[NH2+]CC(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000662529969 414725930 /nfs/dbraw/zinc/72/59/30/414725930.db2.gz JHGZAVDYRFEHSM-UHFFFAOYSA-N 2 2 295.387 0.152 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2[NH2+]CC2(C)C)[C@H](C)CO1 ZINC000662629606 414734598 /nfs/dbraw/zinc/73/45/98/414734598.db2.gz ANCRTCQEEFZYMO-IJLUTSLNSA-N 2 2 269.389 0.210 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2[NH2+]CC2(C)C)[C@H](C)CO1 ZINC000662629606 414734599 /nfs/dbraw/zinc/73/45/99/414734599.db2.gz ANCRTCQEEFZYMO-IJLUTSLNSA-N 2 2 269.389 0.210 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@]2(C)CC[NH2+]C2)[C@H](C)CO1 ZINC000662630606 414735039 /nfs/dbraw/zinc/73/50/39/414735039.db2.gz LWUQENBZBKBOJS-BZPMIXESSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@]2(C)CC[NH2+]C2)[C@H](C)CO1 ZINC000662630606 414735040 /nfs/dbraw/zinc/73/50/40/414735040.db2.gz LWUQENBZBKBOJS-BZPMIXESSA-N 2 2 269.389 0.211 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)[C@H](C)[NH3+] ZINC000662632523 414735287 /nfs/dbraw/zinc/73/52/87/414735287.db2.gz DJSZZEDODVNPRG-RFQIPJPRSA-N 2 2 285.432 0.831 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)[C@H](C)[NH3+] ZINC000662632523 414735288 /nfs/dbraw/zinc/73/52/88/414735288.db2.gz DJSZZEDODVNPRG-RFQIPJPRSA-N 2 2 285.432 0.831 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662668877 414739347 /nfs/dbraw/zinc/73/93/47/414739347.db2.gz RJIRUTRSLCYXHC-ZFWWWQNUSA-N 3 2 296.459 0.789 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662668877 414739348 /nfs/dbraw/zinc/73/93/48/414739348.db2.gz RJIRUTRSLCYXHC-ZFWWWQNUSA-N 3 2 296.459 0.789 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)C2([NH3+])CC3(CCC3)C2)CC1 ZINC000662673421 414739850 /nfs/dbraw/zinc/73/98/50/414739850.db2.gz KHSXPKPWSGWLQB-UHFFFAOYSA-N 2 2 295.427 0.829 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662678909 414740024 /nfs/dbraw/zinc/74/00/24/414740024.db2.gz JYRJWAFMTLSCJB-NWDGAFQWSA-N 2 2 278.356 0.128 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])c[nH+]1 ZINC000662680353 414740372 /nfs/dbraw/zinc/74/03/72/414740372.db2.gz VVHNOKAVOXNPBM-NEPJUHHUSA-N 2 2 278.356 0.128 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@H](CCF)C1 ZINC000662689327 414741297 /nfs/dbraw/zinc/74/12/97/414741297.db2.gz UMSIDAZRARRQCN-NEPJUHHUSA-N 2 2 259.369 0.864 20 0 CCADLP CO[C@@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)C1CCCC1 ZINC000662711488 414744976 /nfs/dbraw/zinc/74/49/76/414744976.db2.gz NKYBBHKIXGZWEW-OLZOCXBDSA-N 2 2 271.405 0.587 20 0 CCADLP O=C(NCC12CC(C1)C[NH2+]2)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000662714695 414745575 /nfs/dbraw/zinc/74/55/75/414745575.db2.gz LELJXDQHKACWDC-UGWHAMFMSA-N 2 2 293.411 0.498 20 0 CCADLP O=C(NCC12CC(C1)C[NH2+]2)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000662714695 414745576 /nfs/dbraw/zinc/74/55/76/414745576.db2.gz LELJXDQHKACWDC-UGWHAMFMSA-N 2 2 293.411 0.498 20 0 CCADLP CC1(C)CC[NH2+][C@@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000662716089 414745808 /nfs/dbraw/zinc/74/58/08/414745808.db2.gz ZADVNVNOWHDHNZ-GFCCVEGCSA-N 2 2 283.416 0.602 20 0 CCADLP CC1(C)CC[NH2+][C@@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000662716089 414745809 /nfs/dbraw/zinc/74/58/09/414745809.db2.gz ZADVNVNOWHDHNZ-GFCCVEGCSA-N 2 2 283.416 0.602 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3C[NH2+]CCO3)ccn12 ZINC000662813534 414813274 /nfs/dbraw/zinc/81/32/74/414813274.db2.gz KERRAXZOCNSPSY-GFCCVEGCSA-N 2 2 274.324 0.361 20 0 CCADLP C[C@H]([NH3+])CCC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900691 414879579 /nfs/dbraw/zinc/87/95/79/414879579.db2.gz ODLSOZKBVHMFDA-ZFWWWQNUSA-N 3 2 296.459 0.741 20 0 CCADLP C[C@H]([NH3+])CCC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900691 414879583 /nfs/dbraw/zinc/87/95/83/414879583.db2.gz ODLSOZKBVHMFDA-ZFWWWQNUSA-N 3 2 296.459 0.741 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000662899685 414880803 /nfs/dbraw/zinc/88/08/03/414880803.db2.gz HXECPUOCZPDLDC-RYUDHWBXSA-N 2 2 280.372 0.849 20 0 CCADLP CC(C)(C[NH3+])C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662909759 414884973 /nfs/dbraw/zinc/88/49/73/414884973.db2.gz ILMAZLOFTORDRP-UHFFFAOYSA-N 2 2 283.416 0.542 20 0 CCADLP C[C@H](NC(=O)CC[C@@H]1CC[NH2+]C1)c1[nH+]ccn1C ZINC000662932779 414902183 /nfs/dbraw/zinc/90/21/83/414902183.db2.gz FTFZBPISPJZWNX-WDEREUQCSA-N 2 2 250.346 0.987 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCC[NH2+]CC1)c1[nH+]ccn1C ZINC000662934406 414904031 /nfs/dbraw/zinc/90/40/31/414904031.db2.gz NWBOLXJAOKMONE-QWRGUYRKSA-N 2 2 250.346 0.987 20 0 CCADLP CC[NH+](CC)CCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000663401311 415057329 /nfs/dbraw/zinc/05/73/29/415057329.db2.gz JVQUEJQKVSATDQ-AWEZNQCLSA-N 2 2 298.431 0.444 20 0 CCADLP c1nc(N[C@H]2CC[N@@H+](C3CC3)C2)cc(N2CCOCC2)[nH+]1 ZINC000663428517 415063304 /nfs/dbraw/zinc/06/33/04/415063304.db2.gz MADGNGXRNNDRFY-LBPRGKRZSA-N 2 2 289.383 0.962 20 0 CCADLP c1nc(N[C@H]2CC[N@H+](C3CC3)C2)cc(N2CCOCC2)[nH+]1 ZINC000663428517 415063308 /nfs/dbraw/zinc/06/33/08/415063308.db2.gz MADGNGXRNNDRFY-LBPRGKRZSA-N 2 2 289.383 0.962 20 0 CCADLP [NH3+][C@@H]1CN(c2cc(N3CCCC3)[nH+]cn2)CC[C@H]1F ZINC000663275861 415035194 /nfs/dbraw/zinc/03/51/94/415035194.db2.gz GBNVMMLVRRBRBZ-GHMZBOCLSA-N 2 2 265.336 0.952 20 0 CCADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)NC1CC1 ZINC000663305365 415039751 /nfs/dbraw/zinc/03/97/51/415039751.db2.gz YMVVIAZPVRORAD-BXUZGUMPSA-N 2 2 281.400 0.496 20 0 CCADLP C[C@H](CCNc1[nH+]cnc(-n2cccn2)c1N)[NH+](C)C ZINC000664244241 415298749 /nfs/dbraw/zinc/29/87/49/415298749.db2.gz QOPSFWHNRMHOGN-SNVBAGLBSA-N 2 2 275.360 0.997 20 0 CCADLP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC[NH+](C)CC1 ZINC000665075534 415530041 /nfs/dbraw/zinc/53/00/41/415530041.db2.gz VMFAJEBHSPSRFH-LBPRGKRZSA-N 2 2 276.384 0.998 20 0 CCADLP C([NH2+][C@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C12CC(C1)C[NH2+]2 ZINC000665280356 415585586 /nfs/dbraw/zinc/58/55/86/415585586.db2.gz ZLXKOXVAGUSXLF-IUWDBWQKSA-N 3 2 265.401 0.485 20 0 CCADLP C[C@H]([NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1nccn1C ZINC000665283412 415585878 /nfs/dbraw/zinc/58/58/78/415585878.db2.gz NGSFGUWIELCTNE-WCFLWFBJSA-N 2 2 264.373 0.838 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](C)c1nccn1C ZINC000665283509 415588358 /nfs/dbraw/zinc/58/83/58/415588358.db2.gz PBWQIYFZNWSGLH-UTUOFQBUSA-N 2 2 252.362 0.838 20 0 CCADLP CCS(=O)(=O)C1(C[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)CC1 ZINC000665276052 415588376 /nfs/dbraw/zinc/58/83/76/415588376.db2.gz XNUBONYDONYOMB-VXGBXAGGSA-N 2 2 290.429 0.310 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000427497783 533682186 /nfs/dbraw/zinc/68/21/86/533682186.db2.gz SFTJRVIQJOACEE-OCCSQVGLSA-N 2 2 281.400 0.138 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000427497783 533682195 /nfs/dbraw/zinc/68/21/95/533682195.db2.gz SFTJRVIQJOACEE-OCCSQVGLSA-N 2 2 281.400 0.138 20 0 CCADLP C[C@H]1C[N@H+](CCN2CC[NH+](C3CC3)CC2)CCO1 ZINC000192973677 227395755 /nfs/dbraw/zinc/39/57/55/227395755.db2.gz HRYNJFGIXRDNRB-ZDUSSCGKSA-N 2 2 253.390 0.487 20 0 CCADLP C[C@H]1C[N@@H+](CCN2CC[NH+](C3CC3)CC2)CCO1 ZINC000192973677 227395758 /nfs/dbraw/zinc/39/57/58/227395758.db2.gz HRYNJFGIXRDNRB-ZDUSSCGKSA-N 2 2 253.390 0.487 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000683980184 545592765 /nfs/dbraw/zinc/59/27/65/545592765.db2.gz URBGNZIBCVMYHN-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000683980184 545592771 /nfs/dbraw/zinc/59/27/71/545592771.db2.gz URBGNZIBCVMYHN-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP CCc1nn(C)cc1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000092374238 544532051 /nfs/dbraw/zinc/53/20/51/544532051.db2.gz DNSYGTCJNRBEHW-ZDUSSCGKSA-N 2 2 266.389 0.529 20 0 CCADLP CCc1nn(C)cc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000092374239 544532233 /nfs/dbraw/zinc/53/22/33/544532233.db2.gz DNSYGTCJNRBEHW-CYBMUJFWSA-N 2 2 266.389 0.529 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CC(C)(C)S(C)(=O)=O)n1C ZINC000093523105 544542530 /nfs/dbraw/zinc/54/25/30/544542530.db2.gz WGRSJOVWFFLMBV-UHFFFAOYSA-N 2 2 288.417 0.399 20 0 CCADLP NS(=O)(=O)c1ccc(C[NH2+]CCC[NH+]2CCCC2)o1 ZINC000088538842 544508392 /nfs/dbraw/zinc/50/83/92/544508392.db2.gz USUFYUKLUJUQLR-UHFFFAOYSA-N 2 2 287.385 0.503 20 0 CCADLP C[N@@H+]1CCC[C@H](NC(=O)c2csc(C[NH3+])n2)C1 ZINC000090931383 544525061 /nfs/dbraw/zinc/52/50/61/544525061.db2.gz NFAXQTSUOLKSDO-QMMMGPOBSA-N 2 2 254.359 0.426 20 0 CCADLP C[N@H+]1CCC[C@H](NC(=O)c2csc(C[NH3+])n2)C1 ZINC000090931383 544525063 /nfs/dbraw/zinc/52/50/63/544525063.db2.gz NFAXQTSUOLKSDO-QMMMGPOBSA-N 2 2 254.359 0.426 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000139597714 544644117 /nfs/dbraw/zinc/64/41/17/544644117.db2.gz GGKNXUCWXBYZGS-JTQLQIEISA-N 2 2 276.262 0.610 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])Cn1cc[nH+]c1 ZINC000165581191 544723760 /nfs/dbraw/zinc/72/37/60/544723760.db2.gz PGDVCVIHKXHRTA-UTUOFQBUSA-N 2 2 250.346 0.763 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCC[C@@H]1[NH3+])Cn1cc[nH+]c1 ZINC000165581064 544723885 /nfs/dbraw/zinc/72/38/85/544723885.db2.gz PGDVCVIHKXHRTA-TUAOUCFPSA-N 2 2 250.346 0.763 20 0 CCADLP C[NH+](C)CCn1cc(NC(=O)[C@@H]2CSC[NH2+]2)cn1 ZINC000166604880 544725382 /nfs/dbraw/zinc/72/53/82/544725382.db2.gz TZSKZCZQBSVCCA-JTQLQIEISA-N 2 2 269.374 0.046 20 0 CCADLP Cc1cccn2cc(CCNC(=O)[C@H]3CSC[NH2+]3)[nH+]c12 ZINC000169039968 544732856 /nfs/dbraw/zinc/73/28/56/544732856.db2.gz KFHIJDAPTYBWNO-GFCCVEGCSA-N 2 2 290.392 0.964 20 0 CCADLP C[C@H](C(=O)N1CCC([NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000169819773 544733802 /nfs/dbraw/zinc/73/38/02/544733802.db2.gz XNSCXQQMFJONDU-GFCCVEGCSA-N 2 2 269.389 0.260 20 0 CCADLP COc1ccccc1NCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000162305921 544712773 /nfs/dbraw/zinc/71/27/73/544712773.db2.gz DGUZDJNQSISWLP-GFCCVEGCSA-N 2 2 292.383 0.208 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])CCO1 ZINC000178743922 544748088 /nfs/dbraw/zinc/74/80/88/544748088.db2.gz PUYNIDZWSAKOKQ-NEPJUHHUSA-N 2 2 269.389 0.341 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])CCO1 ZINC000178743922 544748096 /nfs/dbraw/zinc/74/80/96/544748096.db2.gz PUYNIDZWSAKOKQ-NEPJUHHUSA-N 2 2 269.389 0.341 20 0 CCADLP COCC[NH+]1CCN(C(=O)c2ccc(C[NH3+])o2)CC1 ZINC000237114151 544891238 /nfs/dbraw/zinc/89/12/38/544891238.db2.gz NAYBJOSFMRYRQR-UHFFFAOYSA-N 2 2 267.329 0.143 20 0 CCADLP Cn1c[nH+]cc1CNc1ccn(CC[NH+]2CCOCC2)n1 ZINC000531661015 420408065 /nfs/dbraw/zinc/40/80/65/420408065.db2.gz HERMRLOBDPGVJI-UHFFFAOYSA-N 2 2 290.371 0.561 20 0 CCADLP CN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1CCC[N@H+](C)C1 ZINC000276592193 544953936 /nfs/dbraw/zinc/95/39/36/544953936.db2.gz NECGNWAQXAPDHS-GFCCVEGCSA-N 2 2 250.346 0.895 20 0 CCADLP CN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1CCC[N@@H+](C)C1 ZINC000276592193 544953937 /nfs/dbraw/zinc/95/39/37/544953937.db2.gz NECGNWAQXAPDHS-GFCCVEGCSA-N 2 2 250.346 0.895 20 0 CCADLP CN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1CCC[N@H+](C)C1 ZINC000276592193 544953938 /nfs/dbraw/zinc/95/39/38/544953938.db2.gz NECGNWAQXAPDHS-GFCCVEGCSA-N 2 2 250.346 0.895 20 0 CCADLP CN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1CCC[N@@H+](C)C1 ZINC000276592193 544953939 /nfs/dbraw/zinc/95/39/39/544953939.db2.gz NECGNWAQXAPDHS-GFCCVEGCSA-N 2 2 250.346 0.895 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000280575147 544959015 /nfs/dbraw/zinc/95/90/15/544959015.db2.gz ROFXLEMZGMBKCG-UHFFFAOYSA-N 2 2 280.372 0.523 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000280575147 544959017 /nfs/dbraw/zinc/95/90/17/544959017.db2.gz ROFXLEMZGMBKCG-UHFFFAOYSA-N 2 2 280.372 0.523 20 0 CCADLP C[C@H]1C[N@H+](Cc2cncnc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000354018723 545072287 /nfs/dbraw/zinc/07/22/87/545072287.db2.gz RTDVBSLBMIOHON-HOCLYGCPSA-N 2 2 289.427 0.934 20 0 CCADLP C[C@H]1C[N@@H+](Cc2cncnc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000354018723 545072288 /nfs/dbraw/zinc/07/22/88/545072288.db2.gz RTDVBSLBMIOHON-HOCLYGCPSA-N 2 2 289.427 0.934 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC000335721565 545049346 /nfs/dbraw/zinc/04/93/46/545049346.db2.gz XRXQTRBEXJTPOJ-GHMZBOCLSA-N 2 2 250.346 0.893 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC000335721565 545049347 /nfs/dbraw/zinc/04/93/47/545049347.db2.gz XRXQTRBEXJTPOJ-GHMZBOCLSA-N 2 2 250.346 0.893 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC000335721565 545049348 /nfs/dbraw/zinc/04/93/48/545049348.db2.gz XRXQTRBEXJTPOJ-GHMZBOCLSA-N 2 2 250.346 0.893 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC000335721565 545049349 /nfs/dbraw/zinc/04/93/49/545049349.db2.gz XRXQTRBEXJTPOJ-GHMZBOCLSA-N 2 2 250.346 0.893 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC000335721568 545049391 /nfs/dbraw/zinc/04/93/91/545049391.db2.gz XRXQTRBEXJTPOJ-WDEREUQCSA-N 2 2 250.346 0.893 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC000335721568 545049393 /nfs/dbraw/zinc/04/93/93/545049393.db2.gz XRXQTRBEXJTPOJ-WDEREUQCSA-N 2 2 250.346 0.893 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC000335721568 545049394 /nfs/dbraw/zinc/04/93/94/545049394.db2.gz XRXQTRBEXJTPOJ-WDEREUQCSA-N 2 2 250.346 0.893 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC000335721568 545049395 /nfs/dbraw/zinc/04/93/95/545049395.db2.gz XRXQTRBEXJTPOJ-WDEREUQCSA-N 2 2 250.346 0.893 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000336585236 545051108 /nfs/dbraw/zinc/05/11/08/545051108.db2.gz VZSCTXFTELOPCP-RISCZKNCSA-N 2 2 251.374 0.729 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000336585236 545051109 /nfs/dbraw/zinc/05/11/09/545051109.db2.gz VZSCTXFTELOPCP-RISCZKNCSA-N 2 2 251.374 0.729 20 0 CCADLP C[C@H](CC[N@@H+]1CC[C@@](F)(CO)C1)[NH+]1CC[C@@](F)(CO)C1 ZINC000338590154 545052781 /nfs/dbraw/zinc/05/27/81/545052781.db2.gz CVQYJRMQDQRAMF-RDBSUJKOSA-N 2 2 292.370 0.578 20 0 CCADLP C[C@H](CC[N@H+]1CC[C@@](F)(CO)C1)[NH+]1CC[C@@](F)(CO)C1 ZINC000338590154 545052782 /nfs/dbraw/zinc/05/27/82/545052782.db2.gz CVQYJRMQDQRAMF-RDBSUJKOSA-N 2 2 292.370 0.578 20 0 CCADLP C[C@H](CC[NH+]1CC[C@@](F)(CO)C1)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338590154 545052783 /nfs/dbraw/zinc/05/27/83/545052783.db2.gz CVQYJRMQDQRAMF-RDBSUJKOSA-N 2 2 292.370 0.578 20 0 CCADLP C[C@H](CC[NH+]1CC[C@@](F)(CO)C1)[N@H+]1CC[C@@](F)(CO)C1 ZINC000338590154 545052785 /nfs/dbraw/zinc/05/27/85/545052785.db2.gz CVQYJRMQDQRAMF-RDBSUJKOSA-N 2 2 292.370 0.578 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000356757203 545077322 /nfs/dbraw/zinc/07/73/22/545077322.db2.gz ZPXMVWGVWZGGKS-UHFFFAOYSA-N 2 2 255.281 0.998 20 0 CCADLP COc1ccccc1C[NH+]1CCN(C(=O)CC[NH3+])CC1 ZINC000049871532 260205606 /nfs/dbraw/zinc/20/56/06/260205606.db2.gz VRFKWZOXDZXFBW-UHFFFAOYSA-N 2 2 277.368 0.688 20 0 CCADLP CN(C(=O)CCCn1cc[nH+]c1)[C@@H]1CC[N@H+](C)C1 ZINC000527535713 269813138 /nfs/dbraw/zinc/81/31/38/269813138.db2.gz VIPAEUBLDQHYJE-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP CN(C(=O)CCCn1cc[nH+]c1)[C@@H]1CC[N@@H+](C)C1 ZINC000527535713 269813139 /nfs/dbraw/zinc/81/31/39/269813139.db2.gz VIPAEUBLDQHYJE-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000518995762 265285135 /nfs/dbraw/zinc/28/51/35/265285135.db2.gz IFNIZHFISWATOR-VXGBXAGGSA-N 2 2 298.349 0.934 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000518995762 265285136 /nfs/dbraw/zinc/28/51/36/265285136.db2.gz IFNIZHFISWATOR-VXGBXAGGSA-N 2 2 298.349 0.934 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCCc2nccs2)[C@H](C[NH3+])C1 ZINC000519120010 265325319 /nfs/dbraw/zinc/32/53/19/265325319.db2.gz IDEFLZQCCJOHBZ-LLVKDONJSA-N 2 2 297.428 0.360 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCCc2nccs2)[C@H](C[NH3+])C1 ZINC000519120010 265325320 /nfs/dbraw/zinc/32/53/20/265325320.db2.gz IDEFLZQCCJOHBZ-LLVKDONJSA-N 2 2 297.428 0.360 20 0 CCADLP Cn1c[nH+]cc1CNc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000357580484 545079126 /nfs/dbraw/zinc/07/91/26/545079126.db2.gz KZNBKUGJQDKAEB-UHFFFAOYSA-N 2 2 270.300 0.420 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H](C)C1 ZINC000336630036 276190633 /nfs/dbraw/zinc/19/06/33/276190633.db2.gz XZPWIFOMYPORDC-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H](C)C1 ZINC000336630036 276190634 /nfs/dbraw/zinc/19/06/34/276190634.db2.gz XZPWIFOMYPORDC-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cncnc3)C2)CC1 ZINC000353307975 276201338 /nfs/dbraw/zinc/20/13/38/276201338.db2.gz MVGHYXXIWNYJGN-HNNXBMFYSA-N 2 2 275.400 0.688 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cncnc3)C2)CC1 ZINC000353307975 276201339 /nfs/dbraw/zinc/20/13/39/276201339.db2.gz MVGHYXXIWNYJGN-HNNXBMFYSA-N 2 2 275.400 0.688 20 0 CCADLP CCOC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000496919797 276284228 /nfs/dbraw/zinc/28/42/28/276284228.db2.gz KEHGDAUPLAPKAZ-OCCSQVGLSA-N 2 2 299.415 0.652 20 0 CCADLP CCOC(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000496919797 276284230 /nfs/dbraw/zinc/28/42/30/276284230.db2.gz KEHGDAUPLAPKAZ-OCCSQVGLSA-N 2 2 299.415 0.652 20 0 CCADLP CCOC(=O)N[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000496919797 276284232 /nfs/dbraw/zinc/28/42/32/276284232.db2.gz KEHGDAUPLAPKAZ-OCCSQVGLSA-N 2 2 299.415 0.652 20 0 CCADLP CCOC(=O)N[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000496919797 276284233 /nfs/dbraw/zinc/28/42/33/276284233.db2.gz KEHGDAUPLAPKAZ-OCCSQVGLSA-N 2 2 299.415 0.652 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@]1(C)C(N)=O ZINC000514870493 276307137 /nfs/dbraw/zinc/30/71/37/276307137.db2.gz LHEJDIWCIYCJEI-AAEUAGOBSA-N 2 2 257.378 0.029 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@]1(C)C(N)=O ZINC000514870493 276307139 /nfs/dbraw/zinc/30/71/39/276307139.db2.gz LHEJDIWCIYCJEI-AAEUAGOBSA-N 2 2 257.378 0.029 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000514870493 276307140 /nfs/dbraw/zinc/30/71/40/276307140.db2.gz LHEJDIWCIYCJEI-AAEUAGOBSA-N 2 2 257.378 0.029 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000514870493 276307142 /nfs/dbraw/zinc/30/71/42/276307142.db2.gz LHEJDIWCIYCJEI-AAEUAGOBSA-N 2 2 257.378 0.029 20 0 CCADLP CC[C@@H](C(=O)N1CCn2cc(C)[nH+]c2C1)[NH+](C)C ZINC000374678292 276515036 /nfs/dbraw/zinc/51/50/36/276515036.db2.gz LIGHRNBCXRZOFX-NSHDSACASA-N 2 2 250.346 0.874 20 0 CCADLP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000156362273 276779901 /nfs/dbraw/zinc/77/99/01/276779901.db2.gz FLQCYTSZRLWZLU-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP C[N@@H+]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000340035086 277049299 /nfs/dbraw/zinc/04/92/99/277049299.db2.gz IQJIFCUNBBQXQE-LBPRGKRZSA-N 2 2 262.357 0.610 20 0 CCADLP C[N@H+]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000340035086 277049301 /nfs/dbraw/zinc/04/93/01/277049301.db2.gz IQJIFCUNBBQXQE-LBPRGKRZSA-N 2 2 262.357 0.610 20 0 CCADLP COC(=O)[C@@H](C)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355035753 277075688 /nfs/dbraw/zinc/07/56/88/277075688.db2.gz VDEHMHSLLZWWAI-CHWSQXEVSA-N 2 2 283.416 0.648 20 0 CCADLP COC(=O)[C@@H](C)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355035753 277075689 /nfs/dbraw/zinc/07/56/89/277075689.db2.gz VDEHMHSLLZWWAI-CHWSQXEVSA-N 2 2 283.416 0.648 20 0 CCADLP CNC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000361653521 277232664 /nfs/dbraw/zinc/23/26/64/277232664.db2.gz IVRXCYCEQHNECC-QWRGUYRKSA-N 2 2 250.346 0.875 20 0 CCADLP CC(C)(C)c1n[nH]cc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000517041227 277273861 /nfs/dbraw/zinc/27/38/61/277273861.db2.gz KDYSJKCMFKZPQD-VXGBXAGGSA-N 2 2 291.399 0.451 20 0 CCADLP CC(C)(C)c1n[nH]cc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000517041227 277273862 /nfs/dbraw/zinc/27/38/62/277273862.db2.gz KDYSJKCMFKZPQD-VXGBXAGGSA-N 2 2 291.399 0.451 20 0 CCADLP C[NH2+][C@H](C)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000423633163 277298584 /nfs/dbraw/zinc/29/85/84/277298584.db2.gz PCHINMFMDVWCLZ-DGCLKSJQSA-N 2 2 269.389 0.354 20 0 CCADLP C[NH2+][C@H](C)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000423633163 277298585 /nfs/dbraw/zinc/29/85/85/277298585.db2.gz PCHINMFMDVWCLZ-DGCLKSJQSA-N 2 2 269.389 0.354 20 0 CCADLP CO[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000441365785 277340422 /nfs/dbraw/zinc/34/04/22/277340422.db2.gz RHWWWHJEXQVSPQ-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CO[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000441365785 277340424 /nfs/dbraw/zinc/34/04/24/277340424.db2.gz RHWWWHJEXQVSPQ-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000417030668 278264956 /nfs/dbraw/zinc/26/49/56/278264956.db2.gz OXKUTWCVZPVPST-RDBSUJKOSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@H]([C@H](C)N[C@@H](C)[C@@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000422745868 278304241 /nfs/dbraw/zinc/30/42/41/278304241.db2.gz VWGYCUDAIPNXBN-FQUUOJAGSA-N 2 2 255.406 0.826 20 0 CCADLP CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422708382 288043181 /nfs/dbraw/zinc/04/31/81/288043181.db2.gz BWJHQOLBHKFXNT-PMPSAXMXSA-N 3 2 282.476 0.990 20 0 CCADLP CC1CC[NH+](CC(=O)N2CC[NH2+]C[C@H]2C(F)F)CC1 ZINC000514863752 278538272 /nfs/dbraw/zinc/53/82/72/278538272.db2.gz IXIMDKOVYWSHMK-NSHDSACASA-N 2 2 275.343 0.784 20 0 CCADLP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C(=O)N1CCOCC1 ZINC000422846051 288060232 /nfs/dbraw/zinc/06/02/32/288060232.db2.gz DQNSGKJWUFXNFK-AVGNSLFASA-N 2 2 269.389 0.354 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456197783 288086798 /nfs/dbraw/zinc/08/67/98/288086798.db2.gz FAWUWPPROLPFDP-MQYQWHSLSA-N 2 2 281.400 0.164 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456197783 288086802 /nfs/dbraw/zinc/08/68/02/288086802.db2.gz FAWUWPPROLPFDP-MQYQWHSLSA-N 2 2 281.400 0.164 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456197783 288086804 /nfs/dbraw/zinc/08/68/04/288086804.db2.gz FAWUWPPROLPFDP-MQYQWHSLSA-N 2 2 281.400 0.164 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456197783 288086806 /nfs/dbraw/zinc/08/68/06/288086806.db2.gz FAWUWPPROLPFDP-MQYQWHSLSA-N 2 2 281.400 0.164 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000356277794 288092227 /nfs/dbraw/zinc/09/22/27/288092227.db2.gz JXPKOASXMZNDMW-MQYQWHSLSA-N 2 2 254.374 0.864 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000356277794 288092228 /nfs/dbraw/zinc/09/22/28/288092228.db2.gz JXPKOASXMZNDMW-MQYQWHSLSA-N 2 2 254.374 0.864 20 0 CCADLP Cc1[nH]ncc1C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000262101712 279060562 /nfs/dbraw/zinc/06/05/62/279060562.db2.gz VPDVBHIOAGZPCP-ZDUSSCGKSA-N 2 2 279.388 0.538 20 0 CCADLP Cc1[nH]ncc1C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000262101712 279060563 /nfs/dbraw/zinc/06/05/63/279060563.db2.gz VPDVBHIOAGZPCP-ZDUSSCGKSA-N 2 2 279.388 0.538 20 0 CCADLP CC[C@H](O)CC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000450564090 288095218 /nfs/dbraw/zinc/09/52/18/288095218.db2.gz UQRGDCZOGMWTTH-HIFRSBDPSA-N 2 2 297.443 0.774 20 0 CCADLP CC[C@H](O)CC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000450564090 288095221 /nfs/dbraw/zinc/09/52/21/288095221.db2.gz UQRGDCZOGMWTTH-HIFRSBDPSA-N 2 2 297.443 0.774 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000359030356 288102841 /nfs/dbraw/zinc/10/28/41/288102841.db2.gz NDCKIEQLYQVDFC-UTUOFQBUSA-N 2 2 274.430 0.882 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000359030356 288102842 /nfs/dbraw/zinc/10/28/42/288102842.db2.gz NDCKIEQLYQVDFC-UTUOFQBUSA-N 2 2 274.430 0.882 20 0 CCADLP Cc1nc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)nc(N(C)C)[nH+]1 ZINC000362672985 279088436 /nfs/dbraw/zinc/08/84/36/279088436.db2.gz NJLCUFRDEMXMNR-PHIMTYICSA-N 2 2 262.361 0.244 20 0 CCADLP Cc1nc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)nc(N(C)C)[nH+]1 ZINC000362672985 279088437 /nfs/dbraw/zinc/08/84/37/279088437.db2.gz NJLCUFRDEMXMNR-PHIMTYICSA-N 2 2 262.361 0.244 20 0 CCADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1c1cc[nH+]c(N(C)C)n1 ZINC000357598779 279119189 /nfs/dbraw/zinc/11/91/89/279119189.db2.gz SIKHNURNUVDCBZ-CHWSQXEVSA-N 2 2 291.399 0.842 20 0 CCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)C1 ZINC000437192740 279150891 /nfs/dbraw/zinc/15/08/91/279150891.db2.gz FHFHFSDFPONMCW-HUUCEWRRSA-N 2 2 296.459 0.565 20 0 CCADLP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000336212375 279166969 /nfs/dbraw/zinc/16/69/69/279166969.db2.gz SDHDTXOZTULDJH-GDBMZVCRSA-N 2 2 291.370 0.861 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000178764068 279176967 /nfs/dbraw/zinc/17/69/67/279176967.db2.gz YNFSWLDLABPPTP-LBPRGKRZSA-N 2 2 271.405 0.587 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000178764068 279176970 /nfs/dbraw/zinc/17/69/70/279176970.db2.gz YNFSWLDLABPPTP-LBPRGKRZSA-N 2 2 271.405 0.587 20 0 CCADLP Cc1nn(C)cc1[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000268923219 279214809 /nfs/dbraw/zinc/21/48/09/279214809.db2.gz PGEPDKCABDXTDT-FZMZJTMJSA-N 2 2 293.415 0.719 20 0 CCADLP Cc1nn(C)cc1[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000268923219 279214812 /nfs/dbraw/zinc/21/48/12/279214812.db2.gz PGEPDKCABDXTDT-FZMZJTMJSA-N 2 2 293.415 0.719 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCCC(=O)NC(N)=O)C1 ZINC000365632382 279376894 /nfs/dbraw/zinc/37/68/94/279376894.db2.gz SPTTXAHMHWJSDF-LLVKDONJSA-N 2 2 293.371 0.575 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCCC(=O)NC(N)=O)C1 ZINC000365632382 279376897 /nfs/dbraw/zinc/37/68/97/279376897.db2.gz SPTTXAHMHWJSDF-LLVKDONJSA-N 2 2 293.371 0.575 20 0 CCADLP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000446282551 280151195 /nfs/dbraw/zinc/15/11/95/280151195.db2.gz GVIOQPSQWUYXDH-OUAUKWLOSA-N 2 2 266.320 0.816 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)NCC(=O)N1CCCC1 ZINC000430548313 280281977 /nfs/dbraw/zinc/28/19/77/280281977.db2.gz GVZKQEQFELRFHB-CYBMUJFWSA-N 2 2 298.431 0.030 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)NCC(=O)N1CCCC1 ZINC000430548313 280281980 /nfs/dbraw/zinc/28/19/80/280281980.db2.gz GVZKQEQFELRFHB-CYBMUJFWSA-N 2 2 298.431 0.030 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000375247630 282051453 /nfs/dbraw/zinc/05/14/53/282051453.db2.gz ARRAIWFSFBIDDB-GOEBONIOSA-N 3 2 294.443 0.128 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000237083372 289068329 /nfs/dbraw/zinc/06/83/29/289068329.db2.gz AGKKFJIETVAOQF-CHWSQXEVSA-N 3 2 282.432 0.256 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000156764577 289245182 /nfs/dbraw/zinc/24/51/82/289245182.db2.gz ATOKWUQOECIKEX-CHWSQXEVSA-N 2 2 269.389 0.117 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000156764577 289245184 /nfs/dbraw/zinc/24/51/84/289245184.db2.gz ATOKWUQOECIKEX-CHWSQXEVSA-N 2 2 269.389 0.117 20 0 CCADLP CN(C)[C@H](C(=O)N(C)[C@H]1CCC[N@H+](C)C1)c1c[nH+]cn1C ZINC000280935753 289344191 /nfs/dbraw/zinc/34/41/91/289344191.db2.gz KURSYBYODKHHOP-JSGCOSHPSA-N 2 2 293.415 0.575 20 0 CCADLP CN(C)[C@H](C(=O)N(C)[C@H]1CCC[N@@H+](C)C1)c1c[nH+]cn1C ZINC000280935753 289344194 /nfs/dbraw/zinc/34/41/94/289344194.db2.gz KURSYBYODKHHOP-JSGCOSHPSA-N 2 2 293.415 0.575 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000342396629 289344355 /nfs/dbraw/zinc/34/43/55/289344355.db2.gz MKLWPFRHMJQSJP-CYBMUJFWSA-N 2 2 296.459 0.611 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000342396629 289344356 /nfs/dbraw/zinc/34/43/56/289344356.db2.gz MKLWPFRHMJQSJP-CYBMUJFWSA-N 2 2 296.459 0.611 20 0 CCADLP C[C@H](C(=O)NC1CC1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000342396629 289344358 /nfs/dbraw/zinc/34/43/58/289344358.db2.gz MKLWPFRHMJQSJP-CYBMUJFWSA-N 2 2 296.459 0.611 20 0 CCADLP C[C@H](C(=O)NC1CC1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000342396629 289344359 /nfs/dbraw/zinc/34/43/59/289344359.db2.gz MKLWPFRHMJQSJP-CYBMUJFWSA-N 2 2 296.459 0.611 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000280654983 289472053 /nfs/dbraw/zinc/47/20/53/289472053.db2.gz AAJXIWLVMVDWJE-YPMHNXCESA-N 2 2 281.404 0.479 20 0 CCADLP C[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)[C@H]1CCCC[NH2+]1 ZINC000422925264 290038759 /nfs/dbraw/zinc/03/87/59/290038759.db2.gz ZYHQPRLLJXHPKW-GMXVVIOVSA-N 2 2 251.374 0.870 20 0 CCADLP C[N@@H+]1CC[C@@H]([NH2+]CCC(=O)NC(N)=O)[C@@H]1c1ccccc1 ZINC000411698788 290146040 /nfs/dbraw/zinc/14/60/40/290146040.db2.gz UQYRJSWHQSXMJE-OCCSQVGLSA-N 2 2 290.367 0.606 20 0 CCADLP C[N@H+]1CC[C@@H]([NH2+]CCC(=O)NC(N)=O)[C@@H]1c1ccccc1 ZINC000411698788 290146044 /nfs/dbraw/zinc/14/60/44/290146044.db2.gz UQYRJSWHQSXMJE-OCCSQVGLSA-N 2 2 290.367 0.606 20 0 CCADLP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000416838625 295250258 /nfs/dbraw/zinc/25/02/58/295250258.db2.gz CGJIVMCKFOHNTQ-NWDGAFQWSA-N 2 2 265.361 0.700 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCCC[C@H]1CO ZINC000388741041 545086586 /nfs/dbraw/zinc/08/65/86/545086586.db2.gz JKYUPUYWXYOVFM-KBPBESRZSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCCC[C@H]1CO ZINC000388741041 545086587 /nfs/dbraw/zinc/08/65/87/545086587.db2.gz JKYUPUYWXYOVFM-KBPBESRZSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCCC[C@H]1CO ZINC000388741041 545086588 /nfs/dbraw/zinc/08/65/88/545086588.db2.gz JKYUPUYWXYOVFM-KBPBESRZSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCCC[C@H]1CO ZINC000388741041 545086589 /nfs/dbraw/zinc/08/65/89/545086589.db2.gz JKYUPUYWXYOVFM-KBPBESRZSA-N 2 2 274.405 0.162 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000487628743 300225422 /nfs/dbraw/zinc/22/54/22/300225422.db2.gz BZTHEXZRDLFJMJ-QWHCGFSZSA-N 2 2 281.400 0.165 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000487628743 300225425 /nfs/dbraw/zinc/22/54/25/300225425.db2.gz BZTHEXZRDLFJMJ-QWHCGFSZSA-N 2 2 281.400 0.165 20 0 CCADLP Cc1cn[nH]c1C[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000352812283 301033002 /nfs/dbraw/zinc/03/30/02/301033002.db2.gz XJZYLKMNBXEPOK-LBPRGKRZSA-N 2 2 252.362 0.919 20 0 CCADLP Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)[C@H](C)[NH3+])cc1 ZINC000352999059 301790948 /nfs/dbraw/zinc/79/09/48/301790948.db2.gz GZLXEFSSQPFMFZ-ZFWWWQNUSA-N 2 2 291.395 0.832 20 0 CCADLP Cc1c[nH+]c(CNCCC[NH+]2CCC(O)CC2)n1C ZINC000341124379 302344249 /nfs/dbraw/zinc/34/42/49/302344249.db2.gz OQDSWQLCVUJNPO-UHFFFAOYSA-N 2 2 266.389 0.665 20 0 CCADLP Cc1c[nH+]ccc1N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000192671695 302385987 /nfs/dbraw/zinc/38/59/87/302385987.db2.gz IKAOCFNDDWRMIJ-CYBMUJFWSA-N 2 2 265.357 0.519 20 0 CCADLP Cn1nc2c(cc1=O)C[N@@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000261928447 303045280 /nfs/dbraw/zinc/04/52/80/303045280.db2.gz LFXXBQOINAIEGW-LLVKDONJSA-N 2 2 262.357 0.138 20 0 CCADLP Cn1nc2c(cc1=O)C[N@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000261928447 303045281 /nfs/dbraw/zinc/04/52/81/303045281.db2.gz LFXXBQOINAIEGW-LLVKDONJSA-N 2 2 262.357 0.138 20 0 CCADLP C[N@H+](CCO)C1CC[NH+](Cc2ncccc2O)CC1 ZINC000582452937 329015362 /nfs/dbraw/zinc/01/53/62/329015362.db2.gz MAAJSMOKQOAWAW-UHFFFAOYSA-N 2 2 265.357 0.676 20 0 CCADLP C[N@@H+](CCO)C1CC[NH+](Cc2ncccc2O)CC1 ZINC000582452937 329015364 /nfs/dbraw/zinc/01/53/64/329015364.db2.gz MAAJSMOKQOAWAW-UHFFFAOYSA-N 2 2 265.357 0.676 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCSC[C@@H]1C(N)=O ZINC000583701344 329093151 /nfs/dbraw/zinc/09/31/51/329093151.db2.gz LHVIXVFIVKCWBG-LLVKDONJSA-N 2 2 268.386 0.255 20 0 CCADLP CCC1(CO)CC[NH+](C[C@H](O)C[N@H+](C)CCOC)CC1 ZINC000582525050 329106819 /nfs/dbraw/zinc/10/68/19/329106819.db2.gz WIXHONHGKTZJKE-CQSZACIVSA-N 2 2 288.432 0.410 20 0 CCADLP CCC1(CO)CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)CC1 ZINC000582525050 329106820 /nfs/dbraw/zinc/10/68/20/329106820.db2.gz WIXHONHGKTZJKE-CQSZACIVSA-N 2 2 288.432 0.410 20 0 CCADLP C[C@@H]1CN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)C[C@H](C)[NH2+]1 ZINC000565832016 327030599 /nfs/dbraw/zinc/03/05/99/327030599.db2.gz NFICKWNPKBQZAP-AXFHLTTASA-N 2 2 277.372 0.309 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)[C@H](C)[NH+]2CC(C)C2)CCO1 ZINC000574099563 327289637 /nfs/dbraw/zinc/28/96/37/327289637.db2.gz WSLNMNPHINMRTL-UONOGXRCSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)[C@H](C)[NH+]2CC(C)C2)CCO1 ZINC000574099563 327289639 /nfs/dbraw/zinc/28/96/39/327289639.db2.gz WSLNMNPHINMRTL-UONOGXRCSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)[C@@H](C)[NH+]2CC(C)C2)CCO1 ZINC000574099560 327289695 /nfs/dbraw/zinc/28/96/95/327289695.db2.gz WSLNMNPHINMRTL-KGLIPLIRSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)[C@@H](C)[NH+]2CC(C)C2)CCO1 ZINC000574099560 327289696 /nfs/dbraw/zinc/28/96/96/327289696.db2.gz WSLNMNPHINMRTL-KGLIPLIRSA-N 2 2 283.416 0.554 20 0 CCADLP Cc1nn(C)c(C)c1NC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000582125164 327311126 /nfs/dbraw/zinc/31/11/26/327311126.db2.gz IRYWYIHMZFHJAQ-GPCCPHFNSA-N 2 2 293.415 0.952 20 0 CCADLP CN(CCC[NH+](C)C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000583643170 328724429 /nfs/dbraw/zinc/72/44/29/328724429.db2.gz RKXIMBLREJMLHY-UHFFFAOYSA-N 2 2 271.405 0.507 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000583701344 329093150 /nfs/dbraw/zinc/09/31/50/329093150.db2.gz LHVIXVFIVKCWBG-LLVKDONJSA-N 2 2 268.386 0.255 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)ccn12 ZINC000582675973 329123841 /nfs/dbraw/zinc/12/38/41/329123841.db2.gz VDNQFCOEOMFOQQ-STQMWFEESA-N 2 2 288.351 0.390 20 0 CCADLP COc1ccnc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)n1 ZINC000582959337 329289746 /nfs/dbraw/zinc/28/97/46/329289746.db2.gz QWZQCDMOSBJNOQ-JHJVBQTASA-N 2 2 292.383 0.732 20 0 CCADLP C[NH+](C)[C@H]1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000332988195 330859744 /nfs/dbraw/zinc/85/97/44/330859744.db2.gz BDQOVBZJLGBUMG-NEPJUHHUSA-N 2 2 277.372 0.543 20 0 CCADLP CC[C@@H](CSC)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000580532825 335107773 /nfs/dbraw/zinc/10/77/73/335107773.db2.gz IIBQCMAHGMSAMC-QWRGUYRKSA-N 2 2 274.434 0.412 20 0 CCADLP CC[C@@H](CSC)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000580532825 335107775 /nfs/dbraw/zinc/10/77/75/335107775.db2.gz IIBQCMAHGMSAMC-QWRGUYRKSA-N 2 2 274.434 0.412 20 0 CCADLP C[C@H]1C[N@H+](CCCc2c[nH+]cn2C)CC[S@]1=O ZINC000575878344 335127510 /nfs/dbraw/zinc/12/75/10/335127510.db2.gz HQUWZRKSSHSWGJ-APPDUMDISA-N 2 2 255.387 0.806 20 0 CCADLP C[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)CC[S@]1=O ZINC000575878344 335127512 /nfs/dbraw/zinc/12/75/12/335127512.db2.gz HQUWZRKSSHSWGJ-APPDUMDISA-N 2 2 255.387 0.806 20 0 CCADLP CC[C@]1(CO)CCC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000575878523 335127443 /nfs/dbraw/zinc/12/74/43/335127443.db2.gz RCDCZXSWEBKIQU-GJZGRUSLSA-N 2 2 288.432 0.410 20 0 CCADLP CC[C@]1(CO)CCC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000575878523 335127444 /nfs/dbraw/zinc/12/74/44/335127444.db2.gz RCDCZXSWEBKIQU-GJZGRUSLSA-N 2 2 288.432 0.410 20 0 CCADLP CC[C@]1(CO)CCC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000575878523 335127445 /nfs/dbraw/zinc/12/74/45/335127445.db2.gz RCDCZXSWEBKIQU-GJZGRUSLSA-N 2 2 288.432 0.410 20 0 CCADLP CC[C@]1(CO)CCC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000575878523 335127447 /nfs/dbraw/zinc/12/74/47/335127447.db2.gz RCDCZXSWEBKIQU-GJZGRUSLSA-N 2 2 288.432 0.410 20 0 CCADLP C[C@@H](O)CNc1cc(NC[C@H](C2CC2)[NH+](C)C)nc[nH+]1 ZINC000413122343 533713831 /nfs/dbraw/zinc/71/38/31/533713831.db2.gz JNNUYGLXGUFXSB-ZYHUDNBSSA-N 2 2 279.388 0.443 20 0 CCADLP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]([NH3+])c2cscn2)C1 ZINC000576223246 335172857 /nfs/dbraw/zinc/17/28/57/335172857.db2.gz UEPMJEMYERMDIP-MWLCHTKSSA-N 2 2 268.386 0.696 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C ZINC000576410074 335200690 /nfs/dbraw/zinc/20/06/90/335200690.db2.gz HOWCCXCWWDFQLO-YRGRVCCFSA-N 2 2 294.399 0.502 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C ZINC000576410074 335200692 /nfs/dbraw/zinc/20/06/92/335200692.db2.gz HOWCCXCWWDFQLO-YRGRVCCFSA-N 2 2 294.399 0.502 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C ZINC000576410074 335200694 /nfs/dbraw/zinc/20/06/94/335200694.db2.gz HOWCCXCWWDFQLO-YRGRVCCFSA-N 2 2 294.399 0.502 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C ZINC000576410074 335200695 /nfs/dbraw/zinc/20/06/95/335200695.db2.gz HOWCCXCWWDFQLO-YRGRVCCFSA-N 2 2 294.399 0.502 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC[C@@H]1[NH3+] ZINC000576465610 335207576 /nfs/dbraw/zinc/20/75/76/335207576.db2.gz HVWUQSHPOQXZGO-MQYQWHSLSA-N 2 2 253.390 0.519 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC[C@@H]1[NH3+] ZINC000576465610 335207578 /nfs/dbraw/zinc/20/75/78/335207578.db2.gz HVWUQSHPOQXZGO-MQYQWHSLSA-N 2 2 253.390 0.519 20 0 CCADLP CSC1(C[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000576697826 335236033 /nfs/dbraw/zinc/23/60/33/335236033.db2.gz MHLODGIMLISTHF-XQQFMLRXSA-N 2 2 288.457 0.942 20 0 CCADLP CSC1(C[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000576697826 335236034 /nfs/dbraw/zinc/23/60/34/335236034.db2.gz MHLODGIMLISTHF-XQQFMLRXSA-N 2 2 288.457 0.942 20 0 CCADLP COc1c(N)[nH+]cnc1N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000576838154 335254473 /nfs/dbraw/zinc/25/44/73/335254473.db2.gz OYTPFXUTSSMSFN-DTWKUNHWSA-N 2 2 283.401 0.549 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)C[NH+]2CC(C)(C)C2)CC[N@H+]1C ZINC000576955827 335269668 /nfs/dbraw/zinc/26/96/68/335269668.db2.gz PQGFTWZGFJORMG-NEPJUHHUSA-N 2 2 253.390 0.879 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)C[NH+]2CC(C)(C)C2)CC[N@@H+]1C ZINC000576955827 335269669 /nfs/dbraw/zinc/26/96/69/335269669.db2.gz PQGFTWZGFJORMG-NEPJUHHUSA-N 2 2 253.390 0.879 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000577040239 335287781 /nfs/dbraw/zinc/28/77/81/335287781.db2.gz SXEAWAHECNJMLF-QWHCGFSZSA-N 2 2 291.399 0.934 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000577040239 335287783 /nfs/dbraw/zinc/28/77/83/335287783.db2.gz SXEAWAHECNJMLF-QWHCGFSZSA-N 2 2 291.399 0.934 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCCC2CCOCC2)[C@@H](C[NH3+])C1 ZINC000577047828 335289478 /nfs/dbraw/zinc/28/94/78/335289478.db2.gz UNBISTMRVGNMBI-AWEZNQCLSA-N 2 2 298.431 0.478 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCCC2CCOCC2)[C@@H](C[NH3+])C1 ZINC000577047828 335289480 /nfs/dbraw/zinc/28/94/80/335289480.db2.gz UNBISTMRVGNMBI-AWEZNQCLSA-N 2 2 298.431 0.478 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)CN(C)c1[nH]c2ccccc2[nH+]1 ZINC000577124616 335304998 /nfs/dbraw/zinc/30/49/98/335304998.db2.gz PUHHIHKZOZATGG-GFCCVEGCSA-N 2 2 292.383 0.938 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H](O)COC(C)C)CC1 ZINC000577383723 335345782 /nfs/dbraw/zinc/34/57/82/335345782.db2.gz GKSZWFSGCMIPNN-CQSZACIVSA-N 2 2 288.432 0.597 20 0 CCADLP CC(=O)[C@](C)(O)C[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000577646528 335385560 /nfs/dbraw/zinc/38/55/60/335385560.db2.gz NEROQFZIWJYLBG-CYBMUJFWSA-N 2 2 272.389 0.151 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000578354915 335618718 /nfs/dbraw/zinc/61/87/18/335618718.db2.gz NEQPEHRVZMOMDR-ZJUUUORDSA-N 2 2 253.350 0.828 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cn(Cc2cccnc2)nn1 ZINC000578358505 335619596 /nfs/dbraw/zinc/61/95/96/335619596.db2.gz DZNJAXLPPJCHHT-RYUDHWBXSA-N 2 2 274.372 0.937 20 0 CCADLP CN(CC(C)(C)C[NH3+])C(=O)[C@H]([NH3+])c1cscn1 ZINC000578618109 335654238 /nfs/dbraw/zinc/65/42/38/335654238.db2.gz AZHCVGUOWSIKNG-SECBINFHSA-N 2 2 256.375 0.586 20 0 CCADLP O=C(COC1CC[NH2+]CC1)NCc1ccn2cc[nH+]c2c1 ZINC000579470033 335766034 /nfs/dbraw/zinc/76/60/34/335766034.db2.gz PLDYLTFGALKWOS-UHFFFAOYSA-N 2 2 288.351 0.719 20 0 CCADLP CNc1[nH+]cnc2c1cnn2C[C@@H](O)C[N@H+](C)C(C)C ZINC000581141885 336015388 /nfs/dbraw/zinc/01/53/88/336015388.db2.gz CWJCTVOEYQPHSL-JTQLQIEISA-N 2 2 278.360 0.569 20 0 CCADLP CNc1[nH+]cnc2c1cnn2C[C@@H](O)C[N@@H+](C)C(C)C ZINC000581141885 336015390 /nfs/dbraw/zinc/01/53/90/336015390.db2.gz CWJCTVOEYQPHSL-JTQLQIEISA-N 2 2 278.360 0.569 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000581320018 336048429 /nfs/dbraw/zinc/04/84/29/336048429.db2.gz QUJIJERDNWZGJI-CQSZACIVSA-N 2 2 297.443 0.897 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000581320018 336048430 /nfs/dbraw/zinc/04/84/30/336048430.db2.gz QUJIJERDNWZGJI-CQSZACIVSA-N 2 2 297.443 0.897 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@@H](C)C1 ZINC000381165037 336052881 /nfs/dbraw/zinc/05/28/81/336052881.db2.gz TXWMOPLKCXRIHF-RDBSUJKOSA-N 2 2 258.406 0.903 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@@H](C)C1 ZINC000381165037 336052883 /nfs/dbraw/zinc/05/28/83/336052883.db2.gz TXWMOPLKCXRIHF-RDBSUJKOSA-N 2 2 258.406 0.903 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000381165037 336052885 /nfs/dbraw/zinc/05/28/85/336052885.db2.gz TXWMOPLKCXRIHF-RDBSUJKOSA-N 2 2 258.406 0.903 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000381165037 336052887 /nfs/dbraw/zinc/05/28/87/336052887.db2.gz TXWMOPLKCXRIHF-RDBSUJKOSA-N 2 2 258.406 0.903 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000581403913 336068990 /nfs/dbraw/zinc/06/89/90/336068990.db2.gz OUFWRVULLVCUJX-UHFFFAOYSA-N 2 2 291.399 0.123 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000384250350 336123022 /nfs/dbraw/zinc/12/30/22/336123022.db2.gz LXSJQHLRRVXEFE-QWHCGFSZSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@H](CC(=O)N[C@H](CC[NH3+])C(F)F)n1cc[nH+]c1 ZINC000581674213 336126266 /nfs/dbraw/zinc/12/62/66/336126266.db2.gz VOMXZLNPBRHJDS-RKDXNWHRSA-N 2 2 260.288 0.933 20 0 CCADLP CC1(C)C[NH+](CC(=O)NC[C@H]2CCC[N@@H+]2CCCO)C1 ZINC000581893976 336162211 /nfs/dbraw/zinc/16/22/11/336162211.db2.gz FMNJZFPPOKMHNR-CYBMUJFWSA-N 2 2 283.416 0.291 20 0 CCADLP CC1(C)C[NH+](CC(=O)NC[C@H]2CCC[N@H+]2CCCO)C1 ZINC000581893976 336162212 /nfs/dbraw/zinc/16/22/12/336162212.db2.gz FMNJZFPPOKMHNR-CYBMUJFWSA-N 2 2 283.416 0.291 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCC(C)(C)CO)n1C ZINC000385952413 336163209 /nfs/dbraw/zinc/16/32/09/336163209.db2.gz XTKYQPMSQQPHJL-UHFFFAOYSA-N 2 2 254.378 0.984 20 0 CCADLP [NH3+][C@@H]1CCC[C@H](NC(=O)NCCCn2cc[nH+]c2)C1 ZINC000416440716 545093622 /nfs/dbraw/zinc/09/36/22/545093622.db2.gz TUIMDVAAANQVPZ-NEPJUHHUSA-N 2 2 265.361 0.842 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)[C@H](C)O1 ZINC000449384533 533952238 /nfs/dbraw/zinc/95/22/38/533952238.db2.gz BPUWSTMVRIQHPI-RFGFWPKPSA-N 2 2 256.390 0.989 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)[C@H](C)O1 ZINC000449384533 533952245 /nfs/dbraw/zinc/95/22/45/533952245.db2.gz BPUWSTMVRIQHPI-RFGFWPKPSA-N 2 2 256.390 0.989 20 0 CCADLP C[C@H](C[NH3+])CNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000418470231 534040701 /nfs/dbraw/zinc/04/07/01/534040701.db2.gz LDBPXDWBEWFQCM-GFCCVEGCSA-N 2 2 280.372 0.702 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000423549252 534082447 /nfs/dbraw/zinc/08/24/47/534082447.db2.gz NEWDMHPRFDQTNU-SNPRPXQTSA-N 2 2 295.427 0.744 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000423549252 534082456 /nfs/dbraw/zinc/08/24/56/534082456.db2.gz NEWDMHPRFDQTNU-SNPRPXQTSA-N 2 2 295.427 0.744 20 0 CCADLP Cc1ccc(O)c(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)n1 ZINC000358167641 534196788 /nfs/dbraw/zinc/19/67/88/534196788.db2.gz NKSQKAVPVHOYBD-ZDUSSCGKSA-N 2 2 251.330 0.252 20 0 CCADLP Cc1ccc(O)c(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)n1 ZINC000358167641 534196794 /nfs/dbraw/zinc/19/67/94/534196794.db2.gz NKSQKAVPVHOYBD-ZDUSSCGKSA-N 2 2 251.330 0.252 20 0 CCADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@@H](NC(N)=O)C2)s1 ZINC000347923339 536054696 /nfs/dbraw/zinc/05/46/96/536054696.db2.gz SYLIHAYOTABWMC-SECBINFHSA-N 2 2 283.401 0.447 20 0 CCADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@@H](NC(N)=O)C2)s1 ZINC000347923339 536054699 /nfs/dbraw/zinc/05/46/99/536054699.db2.gz SYLIHAYOTABWMC-SECBINFHSA-N 2 2 283.401 0.447 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)C[C@H](C)O1 ZINC000420372613 534305379 /nfs/dbraw/zinc/30/53/79/534305379.db2.gz QGHAFOCWRJCXKN-ZHZXCYKASA-N 2 2 283.416 0.598 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000416816895 517769696 /nfs/dbraw/zinc/76/96/96/517769696.db2.gz JOACFZDTDGLZCH-LLVKDONJSA-N 2 2 272.393 0.134 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000151381867 519680353 /nfs/dbraw/zinc/68/03/53/519680353.db2.gz NHSMNHMMGWXSDC-CYBMUJFWSA-N 2 2 276.384 0.998 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)C1CC1 ZINC000340727417 519705232 /nfs/dbraw/zinc/70/52/32/519705232.db2.gz SZVXKAVZZKALIL-GFCCVEGCSA-N 2 2 298.431 0.042 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)C1CC1 ZINC000340727417 519705233 /nfs/dbraw/zinc/70/52/33/519705233.db2.gz SZVXKAVZZKALIL-GFCCVEGCSA-N 2 2 298.431 0.042 20 0 CCADLP CC(C)NC(=O)C[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000340727417 519705234 /nfs/dbraw/zinc/70/52/34/519705234.db2.gz SZVXKAVZZKALIL-GFCCVEGCSA-N 2 2 298.431 0.042 20 0 CCADLP CC(C)NC(=O)C[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000340727417 519705235 /nfs/dbraw/zinc/70/52/35/519705235.db2.gz SZVXKAVZZKALIL-GFCCVEGCSA-N 2 2 298.431 0.042 20 0 CCADLP CC[NH+](CC)CCOC1CC[NH+](Cc2n[nH]c(=O)[nH]2)CC1 ZINC000340876916 520694468 /nfs/dbraw/zinc/69/44/68/520694468.db2.gz BTOPWYZURUOCGW-UHFFFAOYSA-N 2 2 297.403 0.833 20 0 CCADLP O=C(NCCn1cc[nH+]c1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449310816 534520621 /nfs/dbraw/zinc/52/06/21/534520621.db2.gz IGYQXENVERHQTN-MRXNPFEDSA-N 2 2 284.363 0.931 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000163991063 521650410 /nfs/dbraw/zinc/65/04/10/521650410.db2.gz ODXBKIXHHCHXFC-GHMZBOCLSA-N 2 2 259.375 0.684 20 0 CCADLP [NH3+]CC(F)(F)CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000417926984 534581562 /nfs/dbraw/zinc/58/15/62/534581562.db2.gz PNWZXNWWEKHUNB-JTQLQIEISA-N 2 2 299.325 0.554 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156387900 521741092 /nfs/dbraw/zinc/74/10/92/521741092.db2.gz BDRCGEZHXZYUJO-GFCCVEGCSA-N 2 2 292.339 0.380 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156387900 521741093 /nfs/dbraw/zinc/74/10/93/521741093.db2.gz BDRCGEZHXZYUJO-GFCCVEGCSA-N 2 2 292.339 0.380 20 0 CCADLP C[NH+]1CCN(C(=O)NCc2c[nH+]c3n2CCCC3)CC1 ZINC000367948333 523877680 /nfs/dbraw/zinc/87/76/80/523877680.db2.gz RZKAFTMWGKIMRG-UHFFFAOYSA-N 2 2 277.372 0.676 20 0 CCADLP C[C@@]1(C(=O)N2CCN(c3cccc[nH+]3)CC2)C[NH2+]CCO1 ZINC000607853954 545102979 /nfs/dbraw/zinc/10/29/79/545102979.db2.gz LCJNGLFQGWJTNB-HNNXBMFYSA-N 2 2 290.367 0.109 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)CCC1CC[NH2+]CC1 ZINC000050943636 524625590 /nfs/dbraw/zinc/62/55/90/524625590.db2.gz HSVDVKUYVFWXQF-ZDUSSCGKSA-N 2 2 283.416 0.603 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCCC[NH+]1CCCC1 ZINC000356095477 525123921 /nfs/dbraw/zinc/12/39/21/525123921.db2.gz MMMMUUNMDZXZSM-CQSZACIVSA-N 2 2 298.431 0.492 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCCC[NH+]1CCCC1 ZINC000356095477 525123925 /nfs/dbraw/zinc/12/39/25/525123925.db2.gz MMMMUUNMDZXZSM-CQSZACIVSA-N 2 2 298.431 0.492 20 0 CCADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)N1CCOCC1 ZINC000150770555 526806073 /nfs/dbraw/zinc/80/60/73/526806073.db2.gz UIVOEEWOINUWRK-CQSZACIVSA-N 2 2 281.400 0.263 20 0 CCADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)N1CCOCC1 ZINC000150770555 526806077 /nfs/dbraw/zinc/80/60/77/526806077.db2.gz UIVOEEWOINUWRK-CQSZACIVSA-N 2 2 281.400 0.263 20 0 CCADLP CC(C)(CNC(=O)/C=C/c1[nH]cc[nH+]1)[NH+]1CCOCC1 ZINC000493723769 527091423 /nfs/dbraw/zinc/09/14/23/527091423.db2.gz MUKJPUDKDZQSQI-ONEGZZNKSA-N 2 2 278.356 0.650 20 0 CCADLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000667182591 545140624 /nfs/dbraw/zinc/14/06/24/545140624.db2.gz FOZGUJBUARVBGD-MNOVXSKESA-N 2 2 274.368 0.868 20 0 CCADLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000667182591 545140625 /nfs/dbraw/zinc/14/06/25/545140625.db2.gz FOZGUJBUARVBGD-MNOVXSKESA-N 2 2 274.368 0.868 20 0 CCADLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000667182591 545140626 /nfs/dbraw/zinc/14/06/26/545140626.db2.gz FOZGUJBUARVBGD-MNOVXSKESA-N 2 2 274.368 0.868 20 0 CCADLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000667182591 545140627 /nfs/dbraw/zinc/14/06/27/545140627.db2.gz FOZGUJBUARVBGD-MNOVXSKESA-N 2 2 274.368 0.868 20 0 CCADLP Cc1nccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1Cl ZINC000667347160 545144396 /nfs/dbraw/zinc/14/43/96/545144396.db2.gz ISIDOKTVGFCDSL-JTQLQIEISA-N 2 2 297.790 0.572 20 0 CCADLP Cc1[nH+]cc(CN2CC[NH+](Cc3cnn(C)c3)CC2)n1C ZINC000667588784 545150317 /nfs/dbraw/zinc/15/03/17/545150317.db2.gz DXSVEMIGLUKQNB-UHFFFAOYSA-N 2 2 288.399 0.780 20 0 CCADLP Cc1nc(N2CC[NH+](CC[C@@H]3CCOC3=O)CC2)cc[nH+]1 ZINC000183809784 527346210 /nfs/dbraw/zinc/34/62/10/527346210.db2.gz BTLNVTXVVXAWTE-CYBMUJFWSA-N 2 2 290.367 0.860 20 0 CCADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)n1C ZINC000667682613 545153762 /nfs/dbraw/zinc/15/37/62/545153762.db2.gz QUYKGPVADNHBQY-NSHDSACASA-N 2 2 250.346 0.816 20 0 CCADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H](CC(N)=O)C2)n1C ZINC000667682613 545153763 /nfs/dbraw/zinc/15/37/63/545153763.db2.gz QUYKGPVADNHBQY-NSHDSACASA-N 2 2 250.346 0.816 20 0 CCADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)[C@@H](C)C[N@@H+]1CCO ZINC000668042683 545162339 /nfs/dbraw/zinc/16/23/39/545162339.db2.gz JHHYGEAOGATBEM-KGLIPLIRSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)[C@@H](C)C[N@H+]1CCO ZINC000668042683 545162340 /nfs/dbraw/zinc/16/23/40/545162340.db2.gz JHHYGEAOGATBEM-KGLIPLIRSA-N 2 2 294.399 0.577 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCOCCO)C1 ZINC000365647782 527456114 /nfs/dbraw/zinc/45/61/14/527456114.db2.gz FOZDKOHHGJALJU-GFCCVEGCSA-N 2 2 253.346 0.608 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCOCCO)C1 ZINC000365647782 527456120 /nfs/dbraw/zinc/45/61/20/527456120.db2.gz FOZDKOHHGJALJU-GFCCVEGCSA-N 2 2 253.346 0.608 20 0 CCADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000668203808 545167213 /nfs/dbraw/zinc/16/72/13/545167213.db2.gz UCHZEMSKOPCHPU-ZNMIVQPWSA-N 2 2 268.401 0.990 20 0 CCADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000668203808 545167214 /nfs/dbraw/zinc/16/72/14/545167214.db2.gz UCHZEMSKOPCHPU-ZNMIVQPWSA-N 2 2 268.401 0.990 20 0 CCADLP CO[C@@]1(CO)CCC[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000668498134 545179061 /nfs/dbraw/zinc/17/90/61/545179061.db2.gz NWDNNVIVLJMCIW-ZDUSSCGKSA-N 2 2 253.346 0.702 20 0 CCADLP CO[C@@]1(CO)CCC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000668498134 545179062 /nfs/dbraw/zinc/17/90/62/545179062.db2.gz NWDNNVIVLJMCIW-ZDUSSCGKSA-N 2 2 253.346 0.702 20 0 CCADLP CCn1c[nH+]cc1CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668535246 545180303 /nfs/dbraw/zinc/18/03/03/545180303.db2.gz DCVQWODFHQFAFT-CYBMUJFWSA-N 2 2 264.373 0.810 20 0 CCADLP CN(C)c1[nH+]cc(CN2CC[NH+]([C@@H]3CCOC3)CC2)n1C ZINC000668535718 545180893 /nfs/dbraw/zinc/18/08/93/545180893.db2.gz PFAFFHYATLHJMO-CYBMUJFWSA-N 2 2 293.415 0.393 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)NCC[NH+](C)C1CCCC1 ZINC000367308560 527717763 /nfs/dbraw/zinc/71/77/63/527717763.db2.gz DRVNZIHJLLURFA-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)NCC[NH+](C)C1CCCC1 ZINC000367308560 527717768 /nfs/dbraw/zinc/71/77/68/527717768.db2.gz DRVNZIHJLLURFA-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000367308560 527717771 /nfs/dbraw/zinc/71/77/71/527717771.db2.gz DRVNZIHJLLURFA-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000367308560 527717775 /nfs/dbraw/zinc/71/77/75/527717775.db2.gz DRVNZIHJLLURFA-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000449659109 527728520 /nfs/dbraw/zinc/72/85/20/527728520.db2.gz VAMGIOYCKGBXJV-WDEREUQCSA-N 2 2 291.342 0.068 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000449659109 527728524 /nfs/dbraw/zinc/72/85/24/527728524.db2.gz VAMGIOYCKGBXJV-WDEREUQCSA-N 2 2 291.342 0.068 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1COCC[NH2+]1 ZINC000423802962 527978326 /nfs/dbraw/zinc/97/83/26/527978326.db2.gz PELSUHPGBHAUIK-CHWSQXEVSA-N 2 2 269.389 0.211 20 0 CCADLP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1COCC[NH2+]1 ZINC000423802962 527978329 /nfs/dbraw/zinc/97/83/29/527978329.db2.gz PELSUHPGBHAUIK-CHWSQXEVSA-N 2 2 269.389 0.211 20 0 CCADLP CC(C)COC[C@H](O)C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000422972585 528116520 /nfs/dbraw/zinc/11/65/20/528116520.db2.gz MHFHBOBQJWAJSI-HZSPNIEDSA-N 2 2 274.405 0.377 20 0 CCADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cnn[nH]2)C1 ZINC000450455663 528149499 /nfs/dbraw/zinc/14/94/99/528149499.db2.gz QXTGDDRLYCFOQK-ZDUSSCGKSA-N 2 2 267.377 0.737 20 0 CCADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cnn[nH]2)C1 ZINC000450455663 528149501 /nfs/dbraw/zinc/14/95/01/528149501.db2.gz QXTGDDRLYCFOQK-ZDUSSCGKSA-N 2 2 267.377 0.737 20 0 CCADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2c[nH]nn2)C1 ZINC000450455663 528149506 /nfs/dbraw/zinc/14/95/06/528149506.db2.gz QXTGDDRLYCFOQK-ZDUSSCGKSA-N 2 2 267.377 0.737 20 0 CCADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c[nH]nn2)C1 ZINC000450455663 528149509 /nfs/dbraw/zinc/14/95/09/528149509.db2.gz QXTGDDRLYCFOQK-ZDUSSCGKSA-N 2 2 267.377 0.737 20 0 CCADLP CCC[NH+]1CCC([NH2+]C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000358261185 528203675 /nfs/dbraw/zinc/20/36/75/528203675.db2.gz ZFRTWYXXIVRNPO-CQSZACIVSA-N 3 2 255.406 0.517 20 0 CCADLP CCC[NH+]1CCC([NH2+]C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000358261185 528203679 /nfs/dbraw/zinc/20/36/79/528203679.db2.gz ZFRTWYXXIVRNPO-CQSZACIVSA-N 3 2 255.406 0.517 20 0 CCADLP Cc1cccn2cc(CCNC(=O)NC[C@H](C)[NH3+])[nH+]c12 ZINC000669511782 545211603 /nfs/dbraw/zinc/21/16/03/545211603.db2.gz GLZBIHYWBYMUFP-NSHDSACASA-N 2 2 275.356 0.832 20 0 CCADLP CC1CC[NH+](CC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000456205060 528231032 /nfs/dbraw/zinc/23/10/32/528231032.db2.gz NDWHDIKUEPFWTE-GASCZTMLSA-N 2 2 295.427 0.698 20 0 CCADLP CC1CC[NH+](CC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000456205060 528231038 /nfs/dbraw/zinc/23/10/38/528231038.db2.gz NDWHDIKUEPFWTE-GASCZTMLSA-N 2 2 295.427 0.698 20 0 CCADLP [NH3+][C@H](CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CC1 ZINC000669542795 545214042 /nfs/dbraw/zinc/21/40/42/545214042.db2.gz IAVKQRHUDOGTBA-CHWSQXEVSA-N 2 2 289.383 0.697 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000423872947 528462148 /nfs/dbraw/zinc/46/21/48/528462148.db2.gz QRPZGCUXQXONHB-WFASDCNBSA-N 2 2 293.415 0.753 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423646203 528475000 /nfs/dbraw/zinc/47/50/00/528475000.db2.gz UDSVTGPPZJEMCG-RBSFLKMASA-N 2 2 295.427 0.555 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423646203 528475003 /nfs/dbraw/zinc/47/50/03/528475003.db2.gz UDSVTGPPZJEMCG-RBSFLKMASA-N 2 2 295.427 0.555 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423550410 528481394 /nfs/dbraw/zinc/48/13/94/528481394.db2.gz IJVCLXPJCLGDRY-GOEBONIOSA-N 2 2 295.427 0.699 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423550410 528481398 /nfs/dbraw/zinc/48/13/98/528481398.db2.gz IJVCLXPJCLGDRY-GOEBONIOSA-N 2 2 295.427 0.699 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000449139261 528534158 /nfs/dbraw/zinc/53/41/58/528534158.db2.gz AGEIYIZFMALYKQ-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)N1CC[N@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000423896437 528550319 /nfs/dbraw/zinc/55/03/19/528550319.db2.gz NZEIQASNSPDRMK-QWHCGFSZSA-N 2 2 299.415 0.470 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)N1CC[N@@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000423896437 528550320 /nfs/dbraw/zinc/55/03/20/528550320.db2.gz NZEIQASNSPDRMK-QWHCGFSZSA-N 2 2 299.415 0.470 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000423861647 528550433 /nfs/dbraw/zinc/55/04/33/528550433.db2.gz CZTLOZGNWQGOLD-OLZOCXBDSA-N 2 2 293.415 0.623 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)N1CCC1 ZINC000670985869 545240687 /nfs/dbraw/zinc/24/06/87/545240687.db2.gz LBGXGRFYCVOGET-CQSZACIVSA-N 2 2 281.400 0.405 20 0 CCADLP O=C(C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)N1CCC1 ZINC000670985869 545240688 /nfs/dbraw/zinc/24/06/88/545240688.db2.gz LBGXGRFYCVOGET-CQSZACIVSA-N 2 2 281.400 0.405 20 0 CCADLP CC(C)CNC(=O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986589 545241219 /nfs/dbraw/zinc/24/12/19/545241219.db2.gz GBZZDQAEPQYFOH-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP CC(C)CNC(=O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986589 545241220 /nfs/dbraw/zinc/24/12/20/545241220.db2.gz GBZZDQAEPQYFOH-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]Cc2nnnn2C2CC2)[C@H]2CCC[C@H]21 ZINC000671752822 545259381 /nfs/dbraw/zinc/25/93/81/545259381.db2.gz YDEXWAAITRRRRG-FRRDWIJNSA-N 2 2 276.388 0.970 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]Cc2nnnn2C2CC2)[C@H]2CCC[C@H]21 ZINC000671752822 545259382 /nfs/dbraw/zinc/25/93/82/545259382.db2.gz YDEXWAAITRRRRG-FRRDWIJNSA-N 2 2 276.388 0.970 20 0 CCADLP CCC([NH3+])(CC)CNC(=O)NCCn1cc[nH+]c1 ZINC000416842063 528934571 /nfs/dbraw/zinc/93/45/71/528934571.db2.gz IPLDENXRHVFCIF-UHFFFAOYSA-N 2 2 253.350 0.700 20 0 CCADLP CC[NH+]1CCC([NH2+][C@H]2CCCN(CCCO)C2)CC1 ZINC000449397343 528988455 /nfs/dbraw/zinc/98/84/55/528988455.db2.gz PNSCMPRGUVSNJG-HNNXBMFYSA-N 2 2 269.433 0.907 20 0 CCADLP COCC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000672870148 545274311 /nfs/dbraw/zinc/27/43/11/545274311.db2.gz JPCKJVZLRHIIDS-LBPRGKRZSA-N 2 2 280.372 0.190 20 0 CCADLP COCC[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000672870148 545274312 /nfs/dbraw/zinc/27/43/12/545274312.db2.gz JPCKJVZLRHIIDS-LBPRGKRZSA-N 2 2 280.372 0.190 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@](C)(COC)C2)CC1 ZINC000451184466 529130638 /nfs/dbraw/zinc/13/06/38/529130638.db2.gz AXXZSTJFQVWCJG-ZBFHGGJFSA-N 2 2 297.443 0.897 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@](C)(COC)C2)CC1 ZINC000451184466 529130639 /nfs/dbraw/zinc/13/06/39/529130639.db2.gz AXXZSTJFQVWCJG-ZBFHGGJFSA-N 2 2 297.443 0.897 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CC(C)(C)CO)CC1 ZINC000451240888 529131591 /nfs/dbraw/zinc/13/15/91/529131591.db2.gz FHJJBWAXMINCJH-ZDUSSCGKSA-N 2 2 285.432 0.489 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CC(C)(C)CO)CC1 ZINC000451240888 529131592 /nfs/dbraw/zinc/13/15/92/529131592.db2.gz FHJJBWAXMINCJH-ZDUSSCGKSA-N 2 2 285.432 0.489 20 0 CCADLP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cnn(C)c1 ZINC000358265251 529180710 /nfs/dbraw/zinc/18/07/10/529180710.db2.gz ZJUZPICVVJKZOJ-CHWSQXEVSA-N 2 2 252.362 0.527 20 0 CCADLP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cnn(C)c1 ZINC000358265251 529180713 /nfs/dbraw/zinc/18/07/13/529180713.db2.gz ZJUZPICVVJKZOJ-CHWSQXEVSA-N 2 2 252.362 0.527 20 0 CCADLP C[NH+](C)[C@]1(C[NH2+]C[C@H]2CNc3ccnn3C2)CCSC1 ZINC000673931558 545296439 /nfs/dbraw/zinc/29/64/39/545296439.db2.gz HZYODDNMZJYYGQ-JSGCOSHPSA-N 2 2 295.456 0.952 20 0 CCADLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000674119826 545300049 /nfs/dbraw/zinc/30/00/49/545300049.db2.gz XPMVIRQBCXHWHJ-RYUDHWBXSA-N 2 2 250.346 0.872 20 0 CCADLP C[C@@H](C(=O)NCc1ccc(N(C)C)[nH+]c1)[NH+](C)C ZINC000674245550 545301316 /nfs/dbraw/zinc/30/13/16/545301316.db2.gz PXVGJJTWPPBRED-JTQLQIEISA-N 2 2 250.346 0.714 20 0 CCADLP CC1(C)NC(=O)N(CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C1=O ZINC000261657575 534980013 /nfs/dbraw/zinc/98/00/13/534980013.db2.gz DVQMKIGEOVAXQL-QWRGUYRKSA-N 2 2 280.372 0.001 20 0 CCADLP CC1(C)NC(=O)N(CC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)C1=O ZINC000261657575 534980016 /nfs/dbraw/zinc/98/00/16/534980016.db2.gz DVQMKIGEOVAXQL-QWRGUYRKSA-N 2 2 280.372 0.001 20 0 CCADLP COC1CC[NH+](CCNC(=O)NCCn2cc[nH+]c2)CC1 ZINC000674322152 545304557 /nfs/dbraw/zinc/30/45/57/545304557.db2.gz JRBKUZVXEBTPII-UHFFFAOYSA-N 2 2 295.387 0.293 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)NCc2[nH+]ccn2C)C[N@@H+]1C1CC1 ZINC000674699936 545310415 /nfs/dbraw/zinc/31/04/15/545310415.db2.gz WPTIUICBAVPNTD-WDEREUQCSA-N 2 2 277.372 0.845 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)NCc2[nH+]ccn2C)C[N@H+]1C1CC1 ZINC000674699936 545310416 /nfs/dbraw/zinc/31/04/16/545310416.db2.gz WPTIUICBAVPNTD-WDEREUQCSA-N 2 2 277.372 0.845 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000347617322 535124103 /nfs/dbraw/zinc/12/41/03/535124103.db2.gz UPYPNJKFEIVHNM-NEPJUHHUSA-N 2 2 287.429 0.122 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000347617322 535124108 /nfs/dbraw/zinc/12/41/08/535124108.db2.gz UPYPNJKFEIVHNM-NEPJUHHUSA-N 2 2 287.429 0.122 20 0 CCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000343468856 535220407 /nfs/dbraw/zinc/22/04/07/535220407.db2.gz FUMJRRDEEGJSGQ-JTQLQIEISA-N 2 2 252.318 0.135 20 0 CCADLP CC(C)[N@H+]1CCO[C@H](C(=O)NCc2[nH]cc[nH+]2)C1 ZINC000343468856 535220410 /nfs/dbraw/zinc/22/04/10/535220410.db2.gz FUMJRRDEEGJSGQ-JTQLQIEISA-N 2 2 252.318 0.135 20 0 CCADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N=c1ccn(CC[NH+](C)C)[nH]1 ZINC000347036287 535361816 /nfs/dbraw/zinc/36/18/16/535361816.db2.gz DPOQPCNNVHCZIQ-LBPRGKRZSA-N 2 2 295.431 0.972 20 0 CCADLP COCCC[C@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000675782784 545331276 /nfs/dbraw/zinc/33/12/76/545331276.db2.gz XYVCYOIGEXVOMM-LBPRGKRZSA-N 2 2 257.378 0.165 20 0 CCADLP CC[NH+]1CCC(CNC(=O)NCc2c[nH+]cn2C)CC1 ZINC000515564783 535452083 /nfs/dbraw/zinc/45/20/83/535452083.db2.gz DNGKYANMFPEQRP-UHFFFAOYSA-N 2 2 279.388 0.951 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263175486 535507415 /nfs/dbraw/zinc/50/74/15/535507415.db2.gz GDOWGZUUXPAMBB-QWRGUYRKSA-N 2 2 275.343 0.974 20 0 CCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263175486 535507422 /nfs/dbraw/zinc/50/74/22/535507422.db2.gz GDOWGZUUXPAMBB-QWRGUYRKSA-N 2 2 275.343 0.974 20 0 CCADLP C[C@@H](NC(=O)N1CCC[N@H+](C)CC1)[C@H]1C[NH+](C)CCO1 ZINC000676303433 545340347 /nfs/dbraw/zinc/34/03/47/545340347.db2.gz CAYNWQXMAFHEKI-CHWSQXEVSA-N 2 2 284.404 0.053 20 0 CCADLP C[C@@H](NC(=O)N1CCC[N@@H+](C)CC1)[C@H]1C[NH+](C)CCO1 ZINC000676303433 545340348 /nfs/dbraw/zinc/34/03/48/545340348.db2.gz CAYNWQXMAFHEKI-CHWSQXEVSA-N 2 2 284.404 0.053 20 0 CCADLP C[C@@H](NC(=O)N1CCC[NH+](C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676303433 545340349 /nfs/dbraw/zinc/34/03/49/545340349.db2.gz CAYNWQXMAFHEKI-CHWSQXEVSA-N 2 2 284.404 0.053 20 0 CCADLP C[C@@H](NC(=O)N1CCC[NH+](C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676303433 545340350 /nfs/dbraw/zinc/34/03/50/545340350.db2.gz CAYNWQXMAFHEKI-CHWSQXEVSA-N 2 2 284.404 0.053 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000676905417 545355031 /nfs/dbraw/zinc/35/50/31/545355031.db2.gz LOCVUNNANXBZTA-AWEZNQCLSA-N 2 2 292.383 0.596 20 0 CCADLP O=C(NCC[NH+]1CCC1)NCc1cn2ccccc2[nH+]1 ZINC000677004297 545356524 /nfs/dbraw/zinc/35/65/24/545356524.db2.gz NIPDHMOPEUAFLH-UHFFFAOYSA-N 2 2 273.340 0.839 20 0 CCADLP C[NH+](C)CCN1C[C@@H](C(=O)Nc2ccc(N)[nH+]c2)CC1=O ZINC000237161452 535878628 /nfs/dbraw/zinc/87/86/28/535878628.db2.gz IVHAGYCWSGDMOM-JTQLQIEISA-N 2 2 291.355 0.012 20 0 CCADLP CCN1CC[NH+](CCC(=O)N2CC[N@H+](C)CC2(C)C)CC1 ZINC000678055631 545382948 /nfs/dbraw/zinc/38/29/48/545382948.db2.gz FXAGWCSCOXOVPY-UHFFFAOYSA-N 2 2 296.459 0.567 20 0 CCADLP CCN1CC[NH+](CCC(=O)N2CC[N@@H+](C)CC2(C)C)CC1 ZINC000678055631 545382949 /nfs/dbraw/zinc/38/29/49/545382949.db2.gz FXAGWCSCOXOVPY-UHFFFAOYSA-N 2 2 296.459 0.567 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)CCn2cc[nH+]c2)CCO1 ZINC000347611174 536145307 /nfs/dbraw/zinc/14/53/07/536145307.db2.gz HDSFNPRGDIZUEQ-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)CCn2cc[nH+]c2)CCO1 ZINC000347611174 536145309 /nfs/dbraw/zinc/14/53/09/536145309.db2.gz HDSFNPRGDIZUEQ-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP Cn1cc[nH+]c1CNc1nc(N2CCOCC2)cc[nH+]1 ZINC000678713688 545396605 /nfs/dbraw/zinc/39/66/05/545396605.db2.gz VNVDVASDBOIDPQ-UHFFFAOYSA-N 2 2 274.328 0.659 20 0 CCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC000516222982 536378399 /nfs/dbraw/zinc/37/83/99/536378399.db2.gz HBPRKARXCREYLS-CHWSQXEVSA-N 2 2 262.357 0.826 20 0 CCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@H]21 ZINC000516222982 536378401 /nfs/dbraw/zinc/37/84/01/536378401.db2.gz HBPRKARXCREYLS-CHWSQXEVSA-N 2 2 262.357 0.826 20 0 CCADLP C[NH2+][C@H](C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1cnn(C)c1 ZINC000262019828 536380597 /nfs/dbraw/zinc/38/05/97/536380597.db2.gz AGQQTHUBMZEBFO-KGLIPLIRSA-N 2 2 291.399 0.377 20 0 CCADLP C[NH2+][C@H](C(=O)N1CC[N@H+]2CCCC[C@@H]2C1)c1cnn(C)c1 ZINC000262019828 536380600 /nfs/dbraw/zinc/38/06/00/536380600.db2.gz AGQQTHUBMZEBFO-KGLIPLIRSA-N 2 2 291.399 0.377 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@H+](CC(F)F)C2CC2)CC1 ZINC000357660028 536402221 /nfs/dbraw/zinc/40/22/21/536402221.db2.gz SVBKBGTYDYGCRX-UHFFFAOYSA-N 2 2 275.343 0.880 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@@H+](CC(F)F)C2CC2)CC1 ZINC000357660028 536402223 /nfs/dbraw/zinc/40/22/23/536402223.db2.gz SVBKBGTYDYGCRX-UHFFFAOYSA-N 2 2 275.343 0.880 20 0 CCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@@H](C[NH3+])C3)cn2)CC1 ZINC000347151136 536426014 /nfs/dbraw/zinc/42/60/14/536426014.db2.gz ZKBOEIRRLMRTMR-ZDUSSCGKSA-N 3 2 290.415 0.009 20 0 CCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@@H](C[NH3+])C3)cn2)CC1 ZINC000347151136 536426017 /nfs/dbraw/zinc/42/60/17/536426017.db2.gz ZKBOEIRRLMRTMR-ZDUSSCGKSA-N 3 2 290.415 0.009 20 0 CCADLP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000679340677 545407450 /nfs/dbraw/zinc/40/74/50/545407450.db2.gz PQWPZPIBOXQUNF-CMPLNLGQSA-N 2 2 251.378 0.615 20 0 CCADLP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000679340677 545407451 /nfs/dbraw/zinc/40/74/51/545407451.db2.gz PQWPZPIBOXQUNF-CMPLNLGQSA-N 2 2 251.378 0.615 20 0 CCADLP C[C@H](NC(=O)c1c[nH+]ccc1N(C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000680590264 545433006 /nfs/dbraw/zinc/43/30/06/545433006.db2.gz NZVRQVBKAYRTHD-FZMZJTMJSA-N 2 2 292.383 0.597 20 0 CCADLP C[C@H](NC(=O)c1c[nH+]ccc1N(C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000680590264 545433007 /nfs/dbraw/zinc/43/30/07/545433007.db2.gz NZVRQVBKAYRTHD-FZMZJTMJSA-N 2 2 292.383 0.597 20 0 CCADLP CO[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000681178816 545444464 /nfs/dbraw/zinc/44/44/64/545444464.db2.gz USDBXDCFGFGARZ-ZFWWWQNUSA-N 2 2 297.443 0.942 20 0 CCADLP CO[C@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(C)C ZINC000681178816 545444465 /nfs/dbraw/zinc/44/44/65/545444465.db2.gz USDBXDCFGFGARZ-ZFWWWQNUSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@H]1CC[N@H+](CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000682506810 545481376 /nfs/dbraw/zinc/48/13/76/545481376.db2.gz GSCYYJMTGUKRMU-QWHCGFSZSA-N 2 2 276.384 0.904 20 0 CCADLP C[C@H]1CC[N@@H+](CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000682506810 545481377 /nfs/dbraw/zinc/48/13/77/545481377.db2.gz GSCYYJMTGUKRMU-QWHCGFSZSA-N 2 2 276.384 0.904 20 0 CCADLP CCS(=O)(=O)CCCCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000682756041 545489540 /nfs/dbraw/zinc/48/95/40/545489540.db2.gz WWFTXAKGWITWSE-STQMWFEESA-N 2 2 274.430 0.743 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]21 ZINC000962145358 649892647 /nfs/dbraw/zinc/89/26/47/649892647.db2.gz DZXYNFKYUWZDMV-FJJYHAOUSA-N 2 2 290.367 0.035 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]21 ZINC000962145358 649892650 /nfs/dbraw/zinc/89/26/50/649892650.db2.gz DZXYNFKYUWZDMV-FJJYHAOUSA-N 2 2 290.367 0.035 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1[nH]cc[nH+]1 ZINC001017512277 649893007 /nfs/dbraw/zinc/89/30/07/649893007.db2.gz RRKINSATCRXRGI-UPJWGTAASA-N 2 2 292.383 0.398 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1[nH]cc[nH+]1 ZINC001017512277 649893008 /nfs/dbraw/zinc/89/30/08/649893008.db2.gz RRKINSATCRXRGI-UPJWGTAASA-N 2 2 292.383 0.398 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC1OCCO1 ZINC000777709645 581130776 /nfs/dbraw/zinc/13/07/76/581130776.db2.gz PKMXUBUNWRLBMQ-AGIUHOORSA-N 2 2 270.373 0.543 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC1OCCO1 ZINC000777709645 581130778 /nfs/dbraw/zinc/13/07/78/581130778.db2.gz PKMXUBUNWRLBMQ-AGIUHOORSA-N 2 2 270.373 0.543 20 0 CCADLP Cc1cc(NCC[N@@H+]2CCO[C@@H](C)C2)nc(N)[nH+]1 ZINC000725790240 581133338 /nfs/dbraw/zinc/13/33/38/581133338.db2.gz UTJLUHKNIMJKAC-JTQLQIEISA-N 2 2 251.334 0.500 20 0 CCADLP Cc1cc(NCC[N@H+]2CCO[C@@H](C)C2)nc(N)[nH+]1 ZINC000725790240 581133341 /nfs/dbraw/zinc/13/33/41/581133341.db2.gz UTJLUHKNIMJKAC-JTQLQIEISA-N 2 2 251.334 0.500 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C[C@H](O)C[NH+]1CCCC1 ZINC000789342400 581144320 /nfs/dbraw/zinc/14/43/20/581144320.db2.gz UVJGUQZACXMWFE-GJZGRUSLSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H](CN1CCOCC1)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000789342400 581144321 /nfs/dbraw/zinc/14/43/21/581144321.db2.gz UVJGUQZACXMWFE-GJZGRUSLSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H](CN1CCOCC1)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000789342400 581144323 /nfs/dbraw/zinc/14/43/23/581144323.db2.gz UVJGUQZACXMWFE-GJZGRUSLSA-N 2 2 285.432 0.096 20 0 CCADLP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1nnnn1C1CC1 ZINC000792470985 581261981 /nfs/dbraw/zinc/26/19/81/581261981.db2.gz XRBPTGXFALCZGP-VIFPVBQESA-N 2 2 261.333 0.864 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)NCC[NH+]2CC=CCC2)CCO1 ZINC000792955820 581278116 /nfs/dbraw/zinc/27/81/16/581278116.db2.gz JDXSXLAWGRFBDI-AWEZNQCLSA-N 2 2 296.415 0.268 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)NCC[NH+]2CC=CCC2)CCO1 ZINC000792955820 581278119 /nfs/dbraw/zinc/27/81/19/581278119.db2.gz JDXSXLAWGRFBDI-AWEZNQCLSA-N 2 2 296.415 0.268 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)NCC[N@H+]2CC=CCC2)CCO1 ZINC000792955820 581278121 /nfs/dbraw/zinc/27/81/21/581278121.db2.gz JDXSXLAWGRFBDI-AWEZNQCLSA-N 2 2 296.415 0.268 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)NCC[N@@H+]2CC=CCC2)CCO1 ZINC000792955820 581278124 /nfs/dbraw/zinc/27/81/24/581278124.db2.gz JDXSXLAWGRFBDI-AWEZNQCLSA-N 2 2 296.415 0.268 20 0 CCADLP CN(C)c1cc[nH+]c(NCC[N@@H+]2CCCOCC2)n1 ZINC000782416619 581303338 /nfs/dbraw/zinc/30/33/38/581303338.db2.gz HDVUMVBYIUTUOR-UHFFFAOYSA-N 2 2 265.361 0.677 20 0 CCADLP CN(C)c1cc[nH+]c(NCC[N@H+]2CCCOCC2)n1 ZINC000782416619 581303342 /nfs/dbraw/zinc/30/33/42/581303342.db2.gz HDVUMVBYIUTUOR-UHFFFAOYSA-N 2 2 265.361 0.677 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC000782590801 581310805 /nfs/dbraw/zinc/31/08/05/581310805.db2.gz GMFOTWGVUJNXBX-NSHDSACASA-N 2 2 250.346 0.744 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC000782590801 581310807 /nfs/dbraw/zinc/31/08/07/581310807.db2.gz GMFOTWGVUJNXBX-NSHDSACASA-N 2 2 250.346 0.744 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH+]2CCCC2)[C@H](C)[C@H](C)O1 ZINC000782629341 581315889 /nfs/dbraw/zinc/31/58/89/581315889.db2.gz RRVNFNSPPUVYRW-YIYPIFLZSA-N 2 2 256.390 0.941 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+]2CCCC2)[C@H](C)[C@H](C)O1 ZINC000782629341 581315890 /nfs/dbraw/zinc/31/58/90/581315890.db2.gz RRVNFNSPPUVYRW-YIYPIFLZSA-N 2 2 256.390 0.941 20 0 CCADLP CC[N@H+](CCOC)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783978011 581370123 /nfs/dbraw/zinc/37/01/23/581370123.db2.gz NPKNHXFFKVQQOY-LBPRGKRZSA-N 2 2 280.372 0.662 20 0 CCADLP CC[N@@H+](CCOC)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783978011 581370126 /nfs/dbraw/zinc/37/01/26/581370126.db2.gz NPKNHXFFKVQQOY-LBPRGKRZSA-N 2 2 280.372 0.662 20 0 CCADLP COC[C@@H]1CC[N@H+](CN2C[C@@H](c3c[nH+]cn3C)CC2=O)C1 ZINC000783995815 581370343 /nfs/dbraw/zinc/37/03/43/581370343.db2.gz SWCARNVFZLTINU-OLZOCXBDSA-N 2 2 292.383 0.662 20 0 CCADLP COC[C@@H]1CC[N@@H+](CN2C[C@@H](c3c[nH+]cn3C)CC2=O)C1 ZINC000783995815 581370346 /nfs/dbraw/zinc/37/03/46/581370346.db2.gz SWCARNVFZLTINU-OLZOCXBDSA-N 2 2 292.383 0.662 20 0 CCADLP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)NCc3ccccn3)C2)C1 ZINC000795337755 581404378 /nfs/dbraw/zinc/40/43/78/581404378.db2.gz XOSWDYSGRKCTIZ-MRXNPFEDSA-N 2 2 288.395 0.725 20 0 CCADLP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)NCc3ccccn3)C2)C1 ZINC000795337755 581404380 /nfs/dbraw/zinc/40/43/80/581404380.db2.gz XOSWDYSGRKCTIZ-MRXNPFEDSA-N 2 2 288.395 0.725 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)NCc3ccccn3)C2)C1 ZINC000795337755 581404382 /nfs/dbraw/zinc/40/43/82/581404382.db2.gz XOSWDYSGRKCTIZ-MRXNPFEDSA-N 2 2 288.395 0.725 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)NCc3ccccn3)C2)C1 ZINC000795337755 581404383 /nfs/dbraw/zinc/40/43/83/581404383.db2.gz XOSWDYSGRKCTIZ-MRXNPFEDSA-N 2 2 288.395 0.725 20 0 CCADLP C[C@H](CCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000797084833 581459227 /nfs/dbraw/zinc/45/92/27/581459227.db2.gz YNVVSMQXCUZCOJ-RLAWYHOSSA-N 2 2 283.416 0.431 20 0 CCADLP C[C@H](CCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000797084833 581459228 /nfs/dbraw/zinc/45/92/28/581459228.db2.gz YNVVSMQXCUZCOJ-RLAWYHOSSA-N 2 2 283.416 0.431 20 0 CCADLP OC1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)CCOCC1 ZINC000753368754 581536981 /nfs/dbraw/zinc/53/69/81/581536981.db2.gz QOKAJWVZECSYHV-UHFFFAOYSA-N 2 2 288.351 0.898 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000729543804 581603500 /nfs/dbraw/zinc/60/35/00/581603500.db2.gz QQSIDKUEIQNEAU-KGLIPLIRSA-N 2 2 284.400 0.671 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCCC[C@H]1C1OCCO1 ZINC000729543804 581603502 /nfs/dbraw/zinc/60/35/02/581603502.db2.gz QQSIDKUEIQNEAU-KGLIPLIRSA-N 2 2 284.400 0.671 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000729543806 581603544 /nfs/dbraw/zinc/60/35/44/581603544.db2.gz QQSIDKUEIQNEAU-ZIAGYGMSSA-N 2 2 284.400 0.671 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000729543806 581603548 /nfs/dbraw/zinc/60/35/48/581603548.db2.gz QQSIDKUEIQNEAU-ZIAGYGMSSA-N 2 2 284.400 0.671 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(-n2cncn2)nc1 ZINC000756093443 581657004 /nfs/dbraw/zinc/65/70/04/581657004.db2.gz HAPUFBUUCMKESW-AAEUAGOBSA-N 2 2 272.356 0.702 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(-n2cncn2)nc1 ZINC000756093443 581657006 /nfs/dbraw/zinc/65/70/06/581657006.db2.gz HAPUFBUUCMKESW-AAEUAGOBSA-N 2 2 272.356 0.702 20 0 CCADLP Cn1ccnc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000741264378 581742955 /nfs/dbraw/zinc/74/29/55/581742955.db2.gz PZZXMQLDMVQJBA-GFCCVEGCSA-N 2 2 291.399 0.318 20 0 CCADLP Cn1ccnc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000741264378 581742957 /nfs/dbraw/zinc/74/29/57/581742957.db2.gz PZZXMQLDMVQJBA-GFCCVEGCSA-N 2 2 291.399 0.318 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)NC[C@H]2CCC[NH+](C)C2)CCO1 ZINC000731115656 581753496 /nfs/dbraw/zinc/75/34/96/581753496.db2.gz DXKJMLISYLZTAA-UONOGXRCSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)NC[C@H]2CCC[NH+](C)C2)CCO1 ZINC000731115656 581753497 /nfs/dbraw/zinc/75/34/97/581753497.db2.gz DXKJMLISYLZTAA-UONOGXRCSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)NC[C@H]2CCC[N@H+](C)C2)CCO1 ZINC000731115656 581753498 /nfs/dbraw/zinc/75/34/98/581753498.db2.gz DXKJMLISYLZTAA-UONOGXRCSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)NC[C@H]2CCC[N@@H+](C)C2)CCO1 ZINC000731115656 581753499 /nfs/dbraw/zinc/75/34/99/581753499.db2.gz DXKJMLISYLZTAA-UONOGXRCSA-N 2 2 298.431 0.348 20 0 CCADLP CCOC(=O)/C=C\C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000756093532 581836232 /nfs/dbraw/zinc/83/62/32/581836232.db2.gz NSXCSOOMEYYWGF-VQTKUKTRSA-N 2 2 282.384 0.760 20 0 CCADLP CCOC(=O)/C=C\C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000756093532 581836233 /nfs/dbraw/zinc/83/62/33/581836233.db2.gz NSXCSOOMEYYWGF-VQTKUKTRSA-N 2 2 282.384 0.760 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000352956181 581843370 /nfs/dbraw/zinc/84/33/70/581843370.db2.gz CCIMRVSISQOANI-ZDUSSCGKSA-N 2 2 280.372 0.569 20 0 CCADLP COCC[N@H+]1CCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000352956181 581843373 /nfs/dbraw/zinc/84/33/73/581843373.db2.gz CCIMRVSISQOANI-ZDUSSCGKSA-N 2 2 280.372 0.569 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000352956181 581843378 /nfs/dbraw/zinc/84/33/78/581843378.db2.gz CCIMRVSISQOANI-ZDUSSCGKSA-N 2 2 280.372 0.569 20 0 CCADLP COCC[N@H+]1CCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000352956181 581843383 /nfs/dbraw/zinc/84/33/83/581843383.db2.gz CCIMRVSISQOANI-ZDUSSCGKSA-N 2 2 280.372 0.569 20 0 CCADLP NC(=O)NC(=O)OCCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000772184390 581846136 /nfs/dbraw/zinc/84/61/36/581846136.db2.gz RRPDCNBPSZKJCP-LLVKDONJSA-N 2 2 295.343 0.715 20 0 CCADLP NC(=O)NC(=O)OCCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000772184390 581846138 /nfs/dbraw/zinc/84/61/38/581846138.db2.gz RRPDCNBPSZKJCP-LLVKDONJSA-N 2 2 295.343 0.715 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@H]2CC[NH+](C)[C@H](C)C2)CCO1 ZINC000745792697 581885986 /nfs/dbraw/zinc/88/59/86/581885986.db2.gz RFBQFNOXFSVLLN-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2CC[NH+](C)[C@H](C)C2)CCO1 ZINC000745792697 581885989 /nfs/dbraw/zinc/88/59/89/581885989.db2.gz RFBQFNOXFSVLLN-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CCO1 ZINC000745792697 581885991 /nfs/dbraw/zinc/88/59/91/581885991.db2.gz RFBQFNOXFSVLLN-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CCO1 ZINC000745792697 581885993 /nfs/dbraw/zinc/88/59/93/581885993.db2.gz RFBQFNOXFSVLLN-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000773595116 581935639 /nfs/dbraw/zinc/93/56/39/581935639.db2.gz XYKMCCIXAHPOCS-CYBMUJFWSA-N 2 2 291.386 0.716 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCCN(CC(F)F)CC1 ZINC000773595116 581935640 /nfs/dbraw/zinc/93/56/40/581935640.db2.gz XYKMCCIXAHPOCS-CYBMUJFWSA-N 2 2 291.386 0.716 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CCN(C=O)CC1 ZINC000774226507 581966118 /nfs/dbraw/zinc/96/61/18/581966118.db2.gz QPVIQAVOEARNEX-BXUZGUMPSA-N 2 2 251.374 0.680 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CCN(C=O)CC1 ZINC000774226507 581966119 /nfs/dbraw/zinc/96/61/19/581966119.db2.gz QPVIQAVOEARNEX-BXUZGUMPSA-N 2 2 251.374 0.680 20 0 CCADLP COCC[NH+]1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000763046095 581980422 /nfs/dbraw/zinc/98/04/22/581980422.db2.gz ZUKHKILJSZLEFD-UHFFFAOYSA-N 2 2 269.389 0.261 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H]2CC3(CC3)C(=O)O2)CC1 ZINC000763740130 582013591 /nfs/dbraw/zinc/01/35/91/582013591.db2.gz YWYNBZUHIHFWPN-LBPRGKRZSA-N 2 2 290.367 0.638 20 0 CCADLP Nc1ccc(CCC(=O)OCCC[NH+]2CCOCC2)c[nH+]1 ZINC000751461252 582082070 /nfs/dbraw/zinc/08/20/70/582082070.db2.gz RDTICPWPDMHQLG-UHFFFAOYSA-N 2 2 293.367 0.862 20 0 CCADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCCn1cc(CO)nn1)c1ccccc1 ZINC000925667289 617177233 /nfs/dbraw/zinc/17/72/33/617177233.db2.gz BJVCVBNLDCMNTF-IUODEOHRSA-N 2 2 289.383 0.839 20 0 CCADLP Fc1c(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cccc1-c1nn[nH]n1 ZINC000826370342 608386722 /nfs/dbraw/zinc/38/67/22/608386722.db2.gz NZEPZPVMGIHCMJ-QWRGUYRKSA-N 2 2 288.330 0.657 20 0 CCADLP CC(=O)OC[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000895436022 614225715 /nfs/dbraw/zinc/22/57/15/614225715.db2.gz NFXYKAUCSUDHSI-FZMZJTMJSA-N 2 2 270.373 0.781 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000824290076 614382185 /nfs/dbraw/zinc/38/21/85/614382185.db2.gz KLEXZPCDAUFKDZ-LLVKDONJSA-N 2 2 250.346 0.799 20 0 CCADLP CC(C)[N@H+]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000824290076 614382188 /nfs/dbraw/zinc/38/21/88/614382188.db2.gz KLEXZPCDAUFKDZ-LLVKDONJSA-N 2 2 250.346 0.799 20 0 CCADLP C[C@@H](C(=O)N1CC([NH+]2CCCC2)C1)[NH+]1CCSCC1 ZINC000898608185 617302028 /nfs/dbraw/zinc/30/20/28/617302028.db2.gz KIBUCAOXUBGEHS-LBPRGKRZSA-N 2 2 283.441 0.730 20 0 CCADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000876746632 613191743 /nfs/dbraw/zinc/19/17/43/613191743.db2.gz MGJBGQDLNUALDC-SZRIJTSKSA-N 2 2 281.400 0.235 20 0 CCADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000876746632 613191745 /nfs/dbraw/zinc/19/17/45/613191745.db2.gz MGJBGQDLNUALDC-SZRIJTSKSA-N 2 2 281.400 0.235 20 0 CCADLP C1CCC2(C1)[C@H]([NH2+][C@@H]1C[NH2+]CCOC1)[C@H]1CCO[C@H]12 ZINC000925635298 613223618 /nfs/dbraw/zinc/22/36/18/613223618.db2.gz UFSPMLSVRRWSJD-AAVRWANBSA-N 2 2 266.385 0.912 20 0 CCADLP C/C(=C/C(=O)N(C)[C@@H]1CCC[N@H+](C)C1)C[NH+]1CCOCC1 ZINC000900832457 613227775 /nfs/dbraw/zinc/22/77/75/613227775.db2.gz SHNUCRHMPMKGNX-QKXCFHHRSA-N 2 2 295.427 0.818 20 0 CCADLP C/C(=C/C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)C[NH+]1CCOCC1 ZINC000900832457 613227777 /nfs/dbraw/zinc/22/77/77/613227777.db2.gz SHNUCRHMPMKGNX-QKXCFHHRSA-N 2 2 295.427 0.818 20 0 CCADLP C([NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)[C@@H]1C[NH2+]CCO1 ZINC000925711435 613230155 /nfs/dbraw/zinc/23/01/55/613230155.db2.gz YZOCXQWHPWAMRD-SYQHCUMBSA-N 2 2 254.374 0.770 20 0 CCADLP C/C(=C/C(=O)NCC1([NH+](C)C)CCC1)C[NH+]1CCOCC1 ZINC000907610235 613236114 /nfs/dbraw/zinc/23/61/14/613236114.db2.gz ZNAJGKHKXJWIEV-KAMYIIQDSA-N 2 2 295.427 0.865 20 0 CCADLP C/C(=C/C(=O)NCC[N@H+]1CC[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000900911811 613236655 /nfs/dbraw/zinc/23/66/55/613236655.db2.gz CMWAXCQZDBIKOO-ADVGAGMGSA-N 2 2 295.427 0.723 20 0 CCADLP C/C(=C/C(=O)NCC[N@@H+]1CC[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000900911811 613236657 /nfs/dbraw/zinc/23/66/57/613236657.db2.gz CMWAXCQZDBIKOO-ADVGAGMGSA-N 2 2 295.427 0.723 20 0 CCADLP CC(C)N1C[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1=O ZINC000925581762 613894708 /nfs/dbraw/zinc/89/47/08/613894708.db2.gz UWCGZDUQXDIFDS-HJFKDUGFSA-N 2 2 263.385 0.582 20 0 CCADLP CC(C)NC(=[NH2+])NCC1([NH+]2CCOCC2)CCOCC1 ZINC000849040482 613907501 /nfs/dbraw/zinc/90/75/01/613907501.db2.gz XPXWTPJFTAEYLW-UHFFFAOYSA-N 2 2 284.404 0.390 20 0 CCADLP CC(C)NC(=O)NCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579550 613925533 /nfs/dbraw/zinc/92/55/33/613925533.db2.gz NSPCKKPUZIOZSN-STQMWFEESA-N 2 2 268.405 0.720 20 0 CCADLP CC(C)NC(=O)NCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579550 613925536 /nfs/dbraw/zinc/92/55/36/613925536.db2.gz NSPCKKPUZIOZSN-STQMWFEESA-N 2 2 268.405 0.720 20 0 CCADLP CC(C)NC(=O)NCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879579550 613925538 /nfs/dbraw/zinc/92/55/38/613925538.db2.gz NSPCKKPUZIOZSN-STQMWFEESA-N 2 2 268.405 0.720 20 0 CCADLP CC(C)NC(=O)NCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879579550 613925542 /nfs/dbraw/zinc/92/55/42/613925542.db2.gz NSPCKKPUZIOZSN-STQMWFEESA-N 2 2 268.405 0.720 20 0 CCADLP CC(C)NC(=O)[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903464438 613936337 /nfs/dbraw/zinc/93/63/37/613936337.db2.gz NRLQCHCQQILTGK-QWHCGFSZSA-N 2 2 253.390 0.975 20 0 CCADLP CC(C)NC(=O)[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903464438 613936339 /nfs/dbraw/zinc/93/63/39/613936339.db2.gz NRLQCHCQQILTGK-QWHCGFSZSA-N 2 2 253.390 0.975 20 0 CCADLP CC(C)OC[C@H](O)C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931512496 614035982 /nfs/dbraw/zinc/03/59/82/614035982.db2.gz OROJDAYYWRGFNJ-LLVKDONJSA-N 2 2 265.357 0.808 20 0 CCADLP CC(C)OC[C@H](O)C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931512496 614035984 /nfs/dbraw/zinc/03/59/84/614035984.db2.gz OROJDAYYWRGFNJ-LLVKDONJSA-N 2 2 265.357 0.808 20 0 CCADLP CC(C)[C@@H](C(=O)N1CC[NH+](CCCO)CC1)[NH+](C)C ZINC000957411426 614074020 /nfs/dbraw/zinc/07/40/20/614074020.db2.gz APSSXEFHNWICAO-ZDUSSCGKSA-N 2 2 271.405 0.099 20 0 CCADLP CC(C)(O)C[C@@H](O)C[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000872200794 614202465 /nfs/dbraw/zinc/20/24/65/614202465.db2.gz NZVUEPVPNHUGCT-QWHCGFSZSA-N 2 2 256.390 0.582 20 0 CCADLP CC(C)(O)C[C@@H](O)C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000872200794 614202467 /nfs/dbraw/zinc/20/24/67/614202467.db2.gz NZVUEPVPNHUGCT-QWHCGFSZSA-N 2 2 256.390 0.582 20 0 CCADLP CC(C)(C(=O)N1CC[NH+](CCCO)CC1)[NH+]1CCCC1 ZINC000949627458 614290846 /nfs/dbraw/zinc/29/08/46/614290846.db2.gz FRLZQYPUNZMRAZ-UHFFFAOYSA-N 2 2 283.416 0.387 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000932127570 614338981 /nfs/dbraw/zinc/33/89/81/614338981.db2.gz XBNUXUVOAOIOJH-UONOGXRCSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000932127570 614338982 /nfs/dbraw/zinc/33/89/82/614338982.db2.gz XBNUXUVOAOIOJH-UONOGXRCSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC000935500147 614350790 /nfs/dbraw/zinc/35/07/90/614350790.db2.gz SGMHWVUHMVLQOZ-KBPBESRZSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC000935500147 614350792 /nfs/dbraw/zinc/35/07/92/614350792.db2.gz SGMHWVUHMVLQOZ-KBPBESRZSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000935500147 614350793 /nfs/dbraw/zinc/35/07/93/614350793.db2.gz SGMHWVUHMVLQOZ-KBPBESRZSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000935500147 614350795 /nfs/dbraw/zinc/35/07/95/614350795.db2.gz SGMHWVUHMVLQOZ-KBPBESRZSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)N1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1=O ZINC000931279613 614383801 /nfs/dbraw/zinc/38/38/01/614383801.db2.gz MANUAKMJYWRMLD-QNWHQSFQSA-N 2 2 251.374 0.488 20 0 CCADLP CC(C)N1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1=O ZINC000931279613 614383802 /nfs/dbraw/zinc/38/38/02/614383802.db2.gz MANUAKMJYWRMLD-QNWHQSFQSA-N 2 2 251.374 0.488 20 0 CCADLP CCCn1c(C)nnc1C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931482336 614509349 /nfs/dbraw/zinc/50/93/49/614509349.db2.gz DOUWPZYDUSDESZ-UHFFFAOYSA-N 2 2 295.431 0.885 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH+]1CCOC[C@@H]1CC ZINC000874701647 614516680 /nfs/dbraw/zinc/51/66/80/614516680.db2.gz AHBGXZGAIXMVTA-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH+]1CCOC[C@@H]1CC ZINC000874701647 614516686 /nfs/dbraw/zinc/51/66/86/614516686.db2.gz AHBGXZGAIXMVTA-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[NH+](C)CC(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000874701647 614516687 /nfs/dbraw/zinc/51/66/87/614516687.db2.gz AHBGXZGAIXMVTA-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[NH+](C)CC(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000874701647 614516691 /nfs/dbraw/zinc/51/66/91/614516691.db2.gz AHBGXZGAIXMVTA-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@H]1CC[NH2+]C1 ZINC000923283861 614585395 /nfs/dbraw/zinc/58/53/95/614585395.db2.gz DODGYHWWBLVVHO-QWHCGFSZSA-N 3 2 253.390 0.439 20 0 CCADLP CCC[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)[C@H]1CC[NH2+]C1 ZINC000923283861 614585397 /nfs/dbraw/zinc/58/53/97/614585397.db2.gz DODGYHWWBLVVHO-QWHCGFSZSA-N 3 2 253.390 0.439 20 0 CCADLP CCC[N@H+](C[C@H](O)COC[C@@H]1CCCO1)[C@H]1CC[NH2+]C1 ZINC000923288015 614585409 /nfs/dbraw/zinc/58/54/09/614585409.db2.gz WWWOXUNKXYMOTE-KKUMJFAQSA-N 2 2 286.416 0.617 20 0 CCADLP CCC[N@@H+](C[C@H](O)COC[C@@H]1CCCO1)[C@H]1CC[NH2+]C1 ZINC000923288015 614585412 /nfs/dbraw/zinc/58/54/12/614585412.db2.gz WWWOXUNKXYMOTE-KKUMJFAQSA-N 2 2 286.416 0.617 20 0 CCADLP CCC([NH3+])(CC)CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876539543 614586355 /nfs/dbraw/zinc/58/63/55/614586355.db2.gz KRLSSUTUGRXUDS-AATRIKPKSA-N 2 2 269.389 0.509 20 0 CCADLP CCN(C(=O)NCc1c[nH+]cn1C)[C@@H]1CC[N@H+](C)C1 ZINC000854066965 614602973 /nfs/dbraw/zinc/60/29/73/614602973.db2.gz LNXVVYAIYWLZPF-LLVKDONJSA-N 2 2 265.361 0.656 20 0 CCADLP CCN(C(=O)NCc1c[nH+]cn1C)[C@@H]1CC[N@@H+](C)C1 ZINC000854066965 614602974 /nfs/dbraw/zinc/60/29/74/614602974.db2.gz LNXVVYAIYWLZPF-LLVKDONJSA-N 2 2 265.361 0.656 20 0 CCADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1C[NH+](CCCO)C1 ZINC000950049283 614618623 /nfs/dbraw/zinc/61/86/23/614618623.db2.gz UNNIRGBIGIPSHO-HNNXBMFYSA-N 2 2 297.443 0.774 20 0 CCADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C1C[NH+](CCCO)C1 ZINC000950049283 614618626 /nfs/dbraw/zinc/61/86/26/614618626.db2.gz UNNIRGBIGIPSHO-HNNXBMFYSA-N 2 2 297.443 0.774 20 0 CCADLP CC1(C)C[N@H+](C[C@H](O)COC[C@@H]2CCCO2)C[C@@H]1[NH3+] ZINC000923432318 614673480 /nfs/dbraw/zinc/67/34/80/614673480.db2.gz KRZOZDGSAAKOQR-AVGNSLFASA-N 2 2 272.389 0.212 20 0 CCADLP CC1(C)C[N@@H+](C[C@H](O)COC[C@@H]2CCCO2)C[C@@H]1[NH3+] ZINC000923432318 614673483 /nfs/dbraw/zinc/67/34/83/614673483.db2.gz KRZOZDGSAAKOQR-AVGNSLFASA-N 2 2 272.389 0.212 20 0 CCADLP CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1C[NH+](CCOC)C1 ZINC000957385025 614676257 /nfs/dbraw/zinc/67/62/57/614676257.db2.gz CLFIALZSNJPNLL-LBPRGKRZSA-N 2 2 269.389 0.117 20 0 CCADLP CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1C[NH+](CCOC)C1 ZINC000957385025 614676260 /nfs/dbraw/zinc/67/62/60/614676260.db2.gz CLFIALZSNJPNLL-LBPRGKRZSA-N 2 2 269.389 0.117 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000912615948 614679238 /nfs/dbraw/zinc/67/92/38/614679238.db2.gz WXGTVDGILRZACH-RYUDHWBXSA-N 2 2 280.372 0.444 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000912615948 614679240 /nfs/dbraw/zinc/67/92/40/614679240.db2.gz WXGTVDGILRZACH-RYUDHWBXSA-N 2 2 280.372 0.444 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1CN1CCCC1=O ZINC000846803484 614866123 /nfs/dbraw/zinc/86/61/23/614866123.db2.gz CTPIAKXXRALFBU-CABCVRRESA-N 2 2 297.443 0.776 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1CN1CCCC1=O ZINC000846803484 614866126 /nfs/dbraw/zinc/86/61/26/614866126.db2.gz CTPIAKXXRALFBU-CABCVRRESA-N 2 2 297.443 0.776 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1CN1CCCC1=O ZINC000846803484 614866128 /nfs/dbraw/zinc/86/61/28/614866128.db2.gz CTPIAKXXRALFBU-CABCVRRESA-N 2 2 297.443 0.776 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1CN1CCCC1=O ZINC000846803484 614866130 /nfs/dbraw/zinc/86/61/30/614866130.db2.gz CTPIAKXXRALFBU-CABCVRRESA-N 2 2 297.443 0.776 20 0 CCADLP CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC000939209025 614904430 /nfs/dbraw/zinc/90/44/30/614904430.db2.gz FHNMUJSOEUJPMV-ZYHUDNBSSA-N 2 2 250.346 0.799 20 0 CCADLP CCC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000939862157 614916684 /nfs/dbraw/zinc/91/66/84/614916684.db2.gz XPAGMTWUJFUCQZ-NEPJUHHUSA-N 2 2 250.346 0.730 20 0 CCADLP CC[NH+](CC)CCC[N@H+](CC(N)=O)C1CCOCC1 ZINC000880395354 614991416 /nfs/dbraw/zinc/99/14/16/614991416.db2.gz JUAPHAJSDCXMLC-UHFFFAOYSA-N 2 2 271.405 0.685 20 0 CCADLP CC[NH+](CC)CCC[N@@H+](CC(N)=O)C1CCOCC1 ZINC000880395354 614991419 /nfs/dbraw/zinc/99/14/19/614991419.db2.gz JUAPHAJSDCXMLC-UHFFFAOYSA-N 2 2 271.405 0.685 20 0 CCADLP CC[NH+](CC)C[C@@H](C)NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865806097 615001944 /nfs/dbraw/zinc/00/19/44/615001944.db2.gz GCQDEJZNXJQVRC-LMVHVUTASA-N 2 2 283.416 0.721 20 0 CCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)CCCCC[NH3+])CC1 ZINC000843487351 615047053 /nfs/dbraw/zinc/04/70/53/615047053.db2.gz QGYBFWNQVOHHLD-UHFFFAOYSA-N 2 2 298.431 0.176 20 0 CCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)CCCCC[NH3+])CC1 ZINC000843487351 615047054 /nfs/dbraw/zinc/04/70/54/615047054.db2.gz QGYBFWNQVOHHLD-UHFFFAOYSA-N 2 2 298.431 0.176 20 0 CCADLP CCNC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[NH2+]C2(C)C)C1 ZINC000925585867 615055674 /nfs/dbraw/zinc/05/56/74/615055674.db2.gz ATQZQTGXVWQVDT-GHMZBOCLSA-N 2 2 254.378 0.520 20 0 CCADLP CC[NH2+]CC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000844181421 615077593 /nfs/dbraw/zinc/07/75/93/615077593.db2.gz QBQIWLRMVBBWMV-ZDUSSCGKSA-N 2 2 269.389 0.309 20 0 CCADLP CCN1C(=O)[C@@H]2C[N@H+](CCC[NH2+]C3CC3)CCN2C1=O ZINC000923315012 615080065 /nfs/dbraw/zinc/08/00/65/615080065.db2.gz QCMDMZMNICNGAG-LBPRGKRZSA-N 2 2 280.372 0.097 20 0 CCADLP CCN1C(=O)[C@@H]2C[N@@H+](CCC[NH2+]C3CC3)CCN2C1=O ZINC000923315012 615080066 /nfs/dbraw/zinc/08/00/66/615080066.db2.gz QCMDMZMNICNGAG-LBPRGKRZSA-N 2 2 280.372 0.097 20 0 CCADLP CC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000911686968 615085720 /nfs/dbraw/zinc/08/57/20/615085720.db2.gz AFNGQZPANLTCDU-GHMZBOCLSA-N 2 2 250.346 0.639 20 0 CCADLP CC[NH2+]C[C@@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC000980764777 615091733 /nfs/dbraw/zinc/09/17/33/615091733.db2.gz ZASVJVVAZOSCMN-NEPJUHHUSA-N 2 2 264.373 0.809 20 0 CCADLP CC[NH+]1CCC(N(C)C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000865123373 615099845 /nfs/dbraw/zinc/09/98/45/615099845.db2.gz LBHZNQXOBJIFDB-GFCCVEGCSA-N 2 2 266.345 0.386 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000969467063 615120288 /nfs/dbraw/zinc/12/02/88/615120288.db2.gz ZDNIATJLRCQPDC-HUUCEWRRSA-N 2 2 295.427 0.698 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000969467063 615120290 /nfs/dbraw/zinc/12/02/90/615120290.db2.gz ZDNIATJLRCQPDC-HUUCEWRRSA-N 2 2 295.427 0.698 20 0 CCADLP CC[N@@H+]1CCC[C@@H](CNC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000865048411 615123056 /nfs/dbraw/zinc/12/30/56/615123056.db2.gz SHOAKIXGRHWNMC-VOKGJARPSA-N 2 2 295.427 0.723 20 0 CCADLP CC[N@H+]1CCC[C@@H](CNC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000865048411 615123058 /nfs/dbraw/zinc/12/30/58/615123058.db2.gz SHOAKIXGRHWNMC-VOKGJARPSA-N 2 2 295.427 0.723 20 0 CCADLP CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC000939643676 615123967 /nfs/dbraw/zinc/12/39/67/615123967.db2.gz VKUGLMDXIGHUTJ-DGCLKSJQSA-N 2 2 264.373 0.809 20 0 CCADLP CC[NH+]1CCN(CCC[NH2+][C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925547193 615157984 /nfs/dbraw/zinc/15/79/84/615157984.db2.gz UPLBWFNGUSBNEU-AWEZNQCLSA-N 3 2 268.449 0.744 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC(C)(C)n2cc[nH+]c2)C1 ZINC000898904615 615170611 /nfs/dbraw/zinc/17/06/11/615170611.db2.gz XXUDTRWBFLNNTJ-GFCCVEGCSA-N 2 2 280.372 0.455 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NCC(C)(C)n2cc[nH+]c2)C1 ZINC000898904615 615170613 /nfs/dbraw/zinc/17/06/13/615170613.db2.gz XXUDTRWBFLNNTJ-GFCCVEGCSA-N 2 2 280.372 0.455 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)OCCCn2cc[nH+]c2C)C1 ZINC000805470293 615185416 /nfs/dbraw/zinc/18/54/16/615185416.db2.gz OQVUCDCAPDFVIU-ZDUSSCGKSA-N 2 2 281.356 0.846 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)OCCCn2cc[nH+]c2C)C1 ZINC000805470293 615185417 /nfs/dbraw/zinc/18/54/17/615185417.db2.gz OQVUCDCAPDFVIU-ZDUSSCGKSA-N 2 2 281.356 0.846 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000883900250 615246442 /nfs/dbraw/zinc/24/64/42/615246442.db2.gz GWQBGNNBDHMNID-ZIAGYGMSSA-N 2 2 296.415 0.197 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000883900250 615246443 /nfs/dbraw/zinc/24/64/43/615246443.db2.gz GWQBGNNBDHMNID-ZIAGYGMSSA-N 2 2 296.415 0.197 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1C[C@H](C)OC[C@@H]1C ZINC000890058540 615249237 /nfs/dbraw/zinc/24/92/37/615249237.db2.gz ZSPAAKCFZCPCJU-MELADBBJSA-N 2 2 298.431 0.489 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1C[C@H](C)OC[C@@H]1C ZINC000890058540 615249239 /nfs/dbraw/zinc/24/92/39/615249239.db2.gz ZSPAAKCFZCPCJU-MELADBBJSA-N 2 2 298.431 0.489 20 0 CCADLP CC[NH+]1CC[C@@H]1CNC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000890058540 615249241 /nfs/dbraw/zinc/24/92/41/615249241.db2.gz ZSPAAKCFZCPCJU-MELADBBJSA-N 2 2 298.431 0.489 20 0 CCADLP CC[NH+]1CC[C@@H]1CNC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000890058540 615249242 /nfs/dbraw/zinc/24/92/42/615249242.db2.gz ZSPAAKCFZCPCJU-MELADBBJSA-N 2 2 298.431 0.489 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000883336647 615254460 /nfs/dbraw/zinc/25/44/60/615254460.db2.gz RAXCMULSSYYZGP-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000883336647 615254464 /nfs/dbraw/zinc/25/44/64/615254464.db2.gz RAXCMULSSYYZGP-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](O)c2c[nH+]c[nH]2)[C@H](C)C1 ZINC000866049444 615272549 /nfs/dbraw/zinc/27/25/49/615272549.db2.gz OMQLFQYSRBOQLE-KGYLQXTDSA-N 2 2 280.372 0.632 20 0 CCADLP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](O)c2c[nH+]c[nH]2)[C@H](C)C1 ZINC000866049444 615272550 /nfs/dbraw/zinc/27/25/50/615272550.db2.gz OMQLFQYSRBOQLE-KGYLQXTDSA-N 2 2 280.372 0.632 20 0 CCADLP CCN1CC[C@H]([N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)C1=O ZINC000879579043 615275310 /nfs/dbraw/zinc/27/53/10/615275310.db2.gz IVTXIDOIROFMJI-XQQFMLRXSA-N 2 2 251.374 0.633 20 0 CCADLP CCN1CC[C@H]([N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)C1=O ZINC000879579043 615275311 /nfs/dbraw/zinc/27/53/11/615275311.db2.gz IVTXIDOIROFMJI-XQQFMLRXSA-N 2 2 251.374 0.633 20 0 CCADLP CCN1CC[C@H]([NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)C1=O ZINC000879579043 615275312 /nfs/dbraw/zinc/27/53/12/615275312.db2.gz IVTXIDOIROFMJI-XQQFMLRXSA-N 2 2 251.374 0.633 20 0 CCADLP CCN1CC[C@H]([NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)C1=O ZINC000879579043 615275313 /nfs/dbraw/zinc/27/53/13/615275313.db2.gz IVTXIDOIROFMJI-XQQFMLRXSA-N 2 2 251.374 0.633 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000883068413 615318212 /nfs/dbraw/zinc/31/82/12/615318212.db2.gz STSIHZGOTPHMMZ-NSHDSACASA-N 2 2 251.334 0.277 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000883068413 615318215 /nfs/dbraw/zinc/31/82/15/615318215.db2.gz STSIHZGOTPHMMZ-NSHDSACASA-N 2 2 251.334 0.277 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)NCCc1cn(C)c[nH+]1 ZINC000883686745 615318725 /nfs/dbraw/zinc/31/87/25/615318725.db2.gz QQSAQWARGZSULI-LBPRGKRZSA-N 2 2 265.361 0.356 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)NCCc1cn(C)c[nH+]1 ZINC000883686745 615318727 /nfs/dbraw/zinc/31/87/27/615318727.db2.gz QQSAQWARGZSULI-LBPRGKRZSA-N 2 2 265.361 0.356 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000882764324 615325867 /nfs/dbraw/zinc/32/58/67/615325867.db2.gz QESNWSORVQGJSS-NSHDSACASA-N 2 2 275.418 0.094 20 0 CCADLP CC[N@H+]1CC[C@H]1CNS(=O)(=O)CC1([NH+](C)C)CC1 ZINC000882764324 615325871 /nfs/dbraw/zinc/32/58/71/615325871.db2.gz QESNWSORVQGJSS-NSHDSACASA-N 2 2 275.418 0.094 20 0 CCADLP CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000958183954 615368693 /nfs/dbraw/zinc/36/86/93/615368693.db2.gz SHEPASWIQLDXKB-SMDDNHRTSA-N 2 2 288.351 0.605 20 0 CCADLP CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000958183954 615368694 /nfs/dbraw/zinc/36/86/94/615368694.db2.gz SHEPASWIQLDXKB-SMDDNHRTSA-N 2 2 288.351 0.605 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1NCC1([NH3+])CCCC1 ZINC000854223564 615388073 /nfs/dbraw/zinc/38/80/73/615388073.db2.gz RZLGQHUFYNNBHX-QWRGUYRKSA-N 2 2 255.362 0.141 20 0 CCADLP CCO[C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)C[NH+](C)C ZINC000831723761 615405940 /nfs/dbraw/zinc/40/59/40/615405940.db2.gz JWGPVFNCRRNKCL-NSHDSACASA-N 2 2 268.361 0.344 20 0 CCADLP CCO[C@@H](C[NH2+]C[C@@H](O)c1ccccn1)C[NH+](C)C ZINC000905575587 615410053 /nfs/dbraw/zinc/41/00/53/615410053.db2.gz IPHREJYIVYAVSY-GXTWGEPZSA-N 2 2 267.373 0.671 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000928652298 615479326 /nfs/dbraw/zinc/47/93/26/615479326.db2.gz YAAHIBHEBFVCGF-KKUMJFAQSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000928652298 615479327 /nfs/dbraw/zinc/47/93/27/615479327.db2.gz YAAHIBHEBFVCGF-KKUMJFAQSA-N 2 2 297.443 0.944 20 0 CCADLP CCO[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH+](C)C ZINC000831703849 615480984 /nfs/dbraw/zinc/48/09/84/615480984.db2.gz ZAIWVEDSRLRFCD-LLVKDONJSA-N 2 2 254.334 0.035 20 0 CCADLP CCO[C@H](CNC(=O)N[C@H]1Cc2c[nH+]cn2C1)C[NH+](C)C ZINC000926854955 615482410 /nfs/dbraw/zinc/48/24/10/615482410.db2.gz QBEKIFFGGJHJNX-WCQYABFASA-N 2 2 295.387 0.074 20 0 CCADLP CCO[C@H](C[NH2+]C[C@H](O)c1ccccn1)C[NH+](C)C ZINC000905575590 615484097 /nfs/dbraw/zinc/48/40/97/615484097.db2.gz IPHREJYIVYAVSY-OCCSQVGLSA-N 2 2 267.373 0.671 20 0 CCADLP CCO[C@H](C[NH2+]Cc1c[nH]c(C(=O)OC)c1)C[NH+](C)C ZINC000922757457 615484142 /nfs/dbraw/zinc/48/41/42/615484142.db2.gz GNYURZYAGGPSFY-GFCCVEGCSA-N 2 2 283.372 0.858 20 0 CCADLP CC[C@H](C(=O)N1CC[NH2+]C[C@H]1C)[N@H+]1CCO[C@H](CC)C1 ZINC000911725540 615564936 /nfs/dbraw/zinc/56/49/36/615564936.db2.gz WGZHELBPDCFNMI-MGPQQGTHSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@H](C(=O)N[C@@H]1CC[NH2+]C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911699807 615565155 /nfs/dbraw/zinc/56/51/55/615565155.db2.gz VAHYTNVEJIVJFQ-JHJVBQTASA-N 2 2 269.389 0.354 20 0 CCADLP CC[C@H](C(=O)N[C@@H]1CC[NH2+]C1)[N@H+]1CCO[C@H](CC)C1 ZINC000911699807 615565156 /nfs/dbraw/zinc/56/51/56/615565156.db2.gz VAHYTNVEJIVJFQ-JHJVBQTASA-N 2 2 269.389 0.354 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CCSC ZINC000877433339 615567953 /nfs/dbraw/zinc/56/79/53/615567953.db2.gz PLEGBFHKJRYSJV-NEPJUHHUSA-N 2 2 289.445 0.294 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CCSC ZINC000877433339 615567954 /nfs/dbraw/zinc/56/79/54/615567954.db2.gz PLEGBFHKJRYSJV-NEPJUHHUSA-N 2 2 289.445 0.294 20 0 CCADLP CC[C@@](O)(C[NH2+]C[C@@H](O)C[NH+](C)C)C(F)(F)F ZINC000905342885 615593403 /nfs/dbraw/zinc/59/34/03/615593403.db2.gz COULSSIMVJIFDR-RKDXNWHRSA-N 2 2 258.284 0.202 20 0 CCADLP CCn1cccc(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)c1=O ZINC000925659648 615601096 /nfs/dbraw/zinc/60/10/96/615601096.db2.gz ZBSOZPNRZAVFII-LXFSFDBISA-N 2 2 273.380 0.954 20 0 CCADLP CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2nonc2C)C1)[NH+](C)C ZINC000969074404 615603257 /nfs/dbraw/zinc/60/32/57/615603257.db2.gz BOGSHCUFXMKODL-DGCLKSJQSA-N 2 2 295.387 0.409 20 0 CCADLP CCn1nc(C)c(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])n1 ZINC000818615033 615665176 /nfs/dbraw/zinc/66/51/76/615665176.db2.gz KWLVTVVYVGDNFD-MVWJERBFSA-N 2 2 267.377 0.448 20 0 CCADLP CC[C@H](C)NC(=O)CC[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000133867166 615673948 /nfs/dbraw/zinc/67/39/48/615673948.db2.gz IGHGYRAAEMJQDZ-YNEHKIRRSA-N 2 2 271.405 0.648 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)CC[NH2+]C(C)(C)C ZINC000830162786 615715008 /nfs/dbraw/zinc/71/50/08/615715008.db2.gz PCUNBKQZQQJJQD-CYBMUJFWSA-N 2 2 285.432 0.992 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC000928645280 615715098 /nfs/dbraw/zinc/71/50/98/615715098.db2.gz XAZHKPRJOIONRB-OAHLLOKOSA-N 2 2 297.443 0.945 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)Cn1cc[nH+]c1C ZINC000928647254 615715497 /nfs/dbraw/zinc/71/54/97/615715497.db2.gz NQXHAINBCNQHRM-CYBMUJFWSA-N 2 2 280.372 0.419 20 0 CCADLP C[NH+](C)C1(CNC(=O)CNc2cccc[nH+]2)CCOCC1 ZINC000900714956 615846622 /nfs/dbraw/zinc/84/66/22/615846622.db2.gz YNXQXLGLXYZJEL-UHFFFAOYSA-N 2 2 292.383 0.721 20 0 CCADLP C[NH+](C)C1CC(NC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000908013231 615853484 /nfs/dbraw/zinc/85/34/84/615853484.db2.gz RVCAOSGXPIOPMG-ARJAWSKDSA-N 2 2 267.373 0.084 20 0 CCADLP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925532281 615856647 /nfs/dbraw/zinc/85/66/47/615856647.db2.gz WJDHSNDPGDHDKX-OAHLLOKOSA-N 3 2 280.460 0.887 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000885951136 615863695 /nfs/dbraw/zinc/86/36/95/615863695.db2.gz ABXPMOZVJJUHTF-CABCVRRESA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H]2CC[C@H](C3CC3)O2)CC1 ZINC000885951138 615863788 /nfs/dbraw/zinc/86/37/88/615863788.db2.gz ABXPMOZVJJUHTF-HUUCEWRRSA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC000870081458 615863826 /nfs/dbraw/zinc/86/38/26/615863826.db2.gz HFFDXSDKHWVFOA-CYBMUJFWSA-N 2 2 263.341 0.427 20 0 CCADLP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)CC1 ZINC000898503901 615871008 /nfs/dbraw/zinc/87/10/08/615871008.db2.gz YLWYYRIZOVTFIH-GFCCVEGCSA-N 2 2 271.380 0.878 20 0 CCADLP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)CC1 ZINC000898503901 615871010 /nfs/dbraw/zinc/87/10/10/615871010.db2.gz YLWYYRIZOVTFIH-GFCCVEGCSA-N 2 2 271.380 0.878 20 0 CCADLP C[NH+](C)CC1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC1 ZINC000865790581 615874158 /nfs/dbraw/zinc/87/41/58/615874158.db2.gz CYRCNKIDSXZPGD-GFCCVEGCSA-N 2 2 266.345 0.243 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876960765 615878737 /nfs/dbraw/zinc/87/87/37/615878737.db2.gz MKFPPMAADZMZGO-ZPIQOJFGSA-N 3 2 296.459 0.542 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876960765 615878739 /nfs/dbraw/zinc/87/87/39/615878739.db2.gz MKFPPMAADZMZGO-ZPIQOJFGSA-N 3 2 296.459 0.542 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC000912388591 615879174 /nfs/dbraw/zinc/87/91/74/615879174.db2.gz XVXYBTFXHITOMR-CABCVRRESA-N 2 2 297.443 0.801 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC000912388591 615879176 /nfs/dbraw/zinc/87/91/76/615879176.db2.gz XVXYBTFXHITOMR-CABCVRRESA-N 2 2 297.443 0.801 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1ccc(F)cn1 ZINC000855415362 615879633 /nfs/dbraw/zinc/87/96/33/615879633.db2.gz WGZFJIBDMVERQD-UHFFFAOYSA-N 2 2 296.390 0.763 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1ccc(F)cn1 ZINC000855415362 615879635 /nfs/dbraw/zinc/87/96/35/615879635.db2.gz WGZFJIBDMVERQD-UHFFFAOYSA-N 2 2 296.390 0.763 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1c[nH]c(=S)[nH]1 ZINC000855415213 615879850 /nfs/dbraw/zinc/87/98/50/615879850.db2.gz UWVSVLAHGGHISQ-UHFFFAOYSA-N 2 2 285.417 0.312 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1c[nH]c(=S)[nH]1 ZINC000855415213 615879852 /nfs/dbraw/zinc/87/98/52/615879852.db2.gz UWVSVLAHGGHISQ-UHFFFAOYSA-N 2 2 285.417 0.312 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=S)NCc1ccon1 ZINC000849280469 615880285 /nfs/dbraw/zinc/88/02/85/615880285.db2.gz WHGNSKYRZPKCPW-UHFFFAOYSA-N 2 2 299.444 0.522 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=S)NCc1ccon1 ZINC000849280469 615880289 /nfs/dbraw/zinc/88/02/89/615880289.db2.gz WHGNSKYRZPKCPW-UHFFFAOYSA-N 2 2 299.444 0.522 20 0 CCADLP C[NH+](C)CCNC(=O)c1cccn1CC[NH+]1CCOCC1 ZINC000905051602 615902545 /nfs/dbraw/zinc/90/25/45/615902545.db2.gz XJVCPPRQQGWLDH-UHFFFAOYSA-N 2 2 294.399 0.112 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)NC[C@H]1CC[NH+]1C ZINC000925424254 615909281 /nfs/dbraw/zinc/90/92/81/615909281.db2.gz LGUDWKDOSWYQDF-NWDGAFQWSA-N 2 2 254.378 0.426 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@H]1CC[NH+]1C ZINC000925424254 615909284 /nfs/dbraw/zinc/90/92/84/615909284.db2.gz LGUDWKDOSWYQDF-NWDGAFQWSA-N 2 2 254.378 0.426 20 0 CCADLP CC[C@H]1C[NH+](C)CCN1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925424254 615909286 /nfs/dbraw/zinc/90/92/86/615909286.db2.gz LGUDWKDOSWYQDF-NWDGAFQWSA-N 2 2 254.378 0.426 20 0 CCADLP CC[C@H]1C[NH+](C)CCN1C(=O)NC[C@H]1CC[N@H+]1C ZINC000925424254 615909289 /nfs/dbraw/zinc/90/92/89/615909289.db2.gz LGUDWKDOSWYQDF-NWDGAFQWSA-N 2 2 254.378 0.426 20 0 CCADLP CC[C@H]1C[N@H+](CCCS(=O)(=O)CCOC)CC[C@H]1[NH3+] ZINC000843376559 615914065 /nfs/dbraw/zinc/91/40/65/615914065.db2.gz BAWSLXNYGXDLFL-QWHCGFSZSA-N 2 2 292.445 0.497 20 0 CCADLP CC[C@H]1C[N@@H+](CCCS(=O)(=O)CCOC)CC[C@H]1[NH3+] ZINC000843376559 615914067 /nfs/dbraw/zinc/91/40/67/615914067.db2.gz BAWSLXNYGXDLFL-QWHCGFSZSA-N 2 2 292.445 0.497 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C[NH+](C)C1CCC1 ZINC000881463861 615922919 /nfs/dbraw/zinc/92/29/19/615922919.db2.gz CCJHUMKXQTUWDI-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C[NH+](C)C1CCC1 ZINC000881463861 615922920 /nfs/dbraw/zinc/92/29/20/615922920.db2.gz CCJHUMKXQTUWDI-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@H]1COCC[NH+]1CCNC(=O)C[N@H+](C)C1CCC1 ZINC000881463861 615922923 /nfs/dbraw/zinc/92/29/23/615922923.db2.gz CCJHUMKXQTUWDI-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@H]1COCC[NH+]1CCNC(=O)C[N@@H+](C)C1CCC1 ZINC000881463861 615922926 /nfs/dbraw/zinc/92/29/26/615922926.db2.gz CCJHUMKXQTUWDI-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)c1ccnc(C[NH3+])c1 ZINC000877434804 615928407 /nfs/dbraw/zinc/92/84/07/615928407.db2.gz UWHNABOCKUBLQC-AWEZNQCLSA-N 2 2 292.383 0.381 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)c1ccnc(C[NH3+])c1 ZINC000877434804 615928409 /nfs/dbraw/zinc/92/84/09/615928409.db2.gz UWHNABOCKUBLQC-AWEZNQCLSA-N 2 2 292.383 0.381 20 0 CCADLP C[NH+](C)C[C@H]1CCN(C(=O)CNc2cccc[nH+]2)C1 ZINC000900712657 615945900 /nfs/dbraw/zinc/94/59/00/615945900.db2.gz VIPKMDLQCMDIKX-GFCCVEGCSA-N 2 2 262.357 0.904 20 0 CCADLP CC[C@](C)(O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000932713865 615953740 /nfs/dbraw/zinc/95/37/40/615953740.db2.gz TWPIWUJARFWZTQ-HNNXBMFYSA-N 2 2 285.432 0.632 20 0 CCADLP CC[C@](C)(O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000932713865 615953742 /nfs/dbraw/zinc/95/37/42/615953742.db2.gz TWPIWUJARFWZTQ-HNNXBMFYSA-N 2 2 285.432 0.632 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cnc(N)cn1 ZINC000873209929 615980696 /nfs/dbraw/zinc/98/06/96/615980696.db2.gz WDAQRCHUXDNRFI-MGPQQGTHSA-N 2 2 291.399 0.742 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cnc(N)cn1 ZINC000873209929 615980700 /nfs/dbraw/zinc/98/07/00/615980700.db2.gz WDAQRCHUXDNRFI-MGPQQGTHSA-N 2 2 291.399 0.742 20 0 CCADLP CCn1cc(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)nn1 ZINC000892891449 615999043 /nfs/dbraw/zinc/99/90/43/615999043.db2.gz BCALCVVUDJQBKS-LBPRGKRZSA-N 2 2 266.393 0.024 20 0 CCADLP C[NH+](C)[C@]1(C[NH2+]C[C@H](O)C2(O)CCC2)CCSC1 ZINC000905146144 615999591 /nfs/dbraw/zinc/99/95/91/615999591.db2.gz GNJQAMSRPBNABS-RYUDHWBXSA-N 2 2 274.430 0.289 20 0 CCADLP CN(C)c1cc(NCCN2CC[N@@H+](C)C(C)(C)C2)nc[nH+]1 ZINC000893686191 616009799 /nfs/dbraw/zinc/00/97/99/616009799.db2.gz WRFZVWMGNKAKIC-UHFFFAOYSA-N 2 2 292.431 0.981 20 0 CCADLP C[N@H+](CC(=O)N[C@H]1CCn2c[nH+]cc21)[C@@H]1CCSC1 ZINC000857979901 616049173 /nfs/dbraw/zinc/04/91/73/616049173.db2.gz GOJZOUDJRYFNNA-MNOVXSKESA-N 2 2 280.397 0.881 20 0 CCADLP C[N@@H+](CC(=O)N[C@H]1CCn2c[nH+]cc21)[C@@H]1CCSC1 ZINC000857979901 616049174 /nfs/dbraw/zinc/04/91/74/616049174.db2.gz GOJZOUDJRYFNNA-MNOVXSKESA-N 2 2 280.397 0.881 20 0 CCADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923325897 616060543 /nfs/dbraw/zinc/06/05/43/616060543.db2.gz GQGRILVPXXMQMU-QPSCCSFWSA-N 3 2 267.417 0.501 20 0 CCADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923325897 616060544 /nfs/dbraw/zinc/06/05/44/616060544.db2.gz GQGRILVPXXMQMU-QPSCCSFWSA-N 3 2 267.417 0.501 20 0 CCADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923325897 616060545 /nfs/dbraw/zinc/06/05/45/616060545.db2.gz GQGRILVPXXMQMU-QPSCCSFWSA-N 3 2 267.417 0.501 20 0 CCADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923325897 616060546 /nfs/dbraw/zinc/06/05/46/616060546.db2.gz GQGRILVPXXMQMU-QPSCCSFWSA-N 3 2 267.417 0.501 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884323140 616076652 /nfs/dbraw/zinc/07/66/52/616076652.db2.gz GAXWAWUXENZGSZ-GFCCVEGCSA-N 2 2 264.373 0.977 20 0 CCADLP Cn1cc(C[N@H+](C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)nn1 ZINC000903767339 616091403 /nfs/dbraw/zinc/09/14/03/616091403.db2.gz VQJPHRHKLDJCHB-ZDUSSCGKSA-N 2 2 279.388 0.406 20 0 CCADLP Cn1cc(C[N@@H+](C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)nn1 ZINC000903767339 616091405 /nfs/dbraw/zinc/09/14/05/616091405.db2.gz VQJPHRHKLDJCHB-ZDUSSCGKSA-N 2 2 279.388 0.406 20 0 CCADLP C[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C[C@@H]1CCCO1 ZINC000903879495 616098533 /nfs/dbraw/zinc/09/85/33/616098533.db2.gz CAGXEGRZAUQQAJ-OCCSQVGLSA-N 2 2 279.388 0.813 20 0 CCADLP C[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C[C@@H]1CCCO1 ZINC000903879495 616098534 /nfs/dbraw/zinc/09/85/34/616098534.db2.gz CAGXEGRZAUQQAJ-OCCSQVGLSA-N 2 2 279.388 0.813 20 0 CCADLP C[N@H+](CCO)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000971723026 616110649 /nfs/dbraw/zinc/11/06/49/616110649.db2.gz SQEQTBCONYMHQB-IJLUTSLNSA-N 2 2 278.356 0.038 20 0 CCADLP C[N@@H+](CCO)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000971723026 616110650 /nfs/dbraw/zinc/11/06/50/616110650.db2.gz SQEQTBCONYMHQB-IJLUTSLNSA-N 2 2 278.356 0.038 20 0 CCADLP C[N@H+](CCO)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000971723026 616110652 /nfs/dbraw/zinc/11/06/52/616110652.db2.gz SQEQTBCONYMHQB-IJLUTSLNSA-N 2 2 278.356 0.038 20 0 CCADLP C[N@@H+](CCO)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000971723026 616110653 /nfs/dbraw/zinc/11/06/53/616110653.db2.gz SQEQTBCONYMHQB-IJLUTSLNSA-N 2 2 278.356 0.038 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H](O)c1ccc(F)cc1)C1CC1 ZINC000843108315 616131348 /nfs/dbraw/zinc/13/13/48/616131348.db2.gz OASCQGNZVHFJLL-LSDHHAIUSA-N 2 2 282.359 0.904 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H](O)c1ccc(F)cc1)C1CC1 ZINC000843108315 616131349 /nfs/dbraw/zinc/13/13/49/616131349.db2.gz OASCQGNZVHFJLL-LSDHHAIUSA-N 2 2 282.359 0.904 20 0 CCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCc1c[nH+]cn1C ZINC000869222741 616153558 /nfs/dbraw/zinc/15/35/58/616153558.db2.gz JDEIVVFSQQNANJ-LLVKDONJSA-N 2 2 265.361 0.656 20 0 CCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)NCc1c[nH+]cn1C ZINC000869222741 616153559 /nfs/dbraw/zinc/15/35/59/616153559.db2.gz JDEIVVFSQQNANJ-LLVKDONJSA-N 2 2 265.361 0.656 20 0 CCADLP CN(C[C@H]1CCc2[nH+]ccn2C1)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925417621 616161834 /nfs/dbraw/zinc/16/18/34/616161834.db2.gz OQYIZUBWFXKWNS-OLZOCXBDSA-N 2 2 291.399 0.791 20 0 CCADLP CN(C[C@H]1CCc2[nH+]ccn2C1)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000925417621 616161836 /nfs/dbraw/zinc/16/18/36/616161836.db2.gz OQYIZUBWFXKWNS-OLZOCXBDSA-N 2 2 291.399 0.791 20 0 CCADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCO[C@@](C)(C3CC3)C2)CC1 ZINC000878888373 616173324 /nfs/dbraw/zinc/17/33/24/616173324.db2.gz LXLKGHUKKDYKOD-MRXNPFEDSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC(NC(=O)C[N@H+]2CCO[C@@](C)(C3CC3)C2)CC1 ZINC000878888373 616173325 /nfs/dbraw/zinc/17/33/25/616173325.db2.gz LXLKGHUKKDYKOD-MRXNPFEDSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC(ONC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000846647473 616176126 /nfs/dbraw/zinc/17/61/26/616176126.db2.gz LSALZBNKXUOMAU-LLVKDONJSA-N 2 2 278.356 0.588 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000858464930 616178638 /nfs/dbraw/zinc/17/86/38/616178638.db2.gz SSOYBNKIXCQADN-LBPRGKRZSA-N 2 2 279.388 0.951 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000858464930 616178639 /nfs/dbraw/zinc/17/86/39/616178639.db2.gz SSOYBNKIXCQADN-LBPRGKRZSA-N 2 2 279.388 0.951 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000872780564 616199272 /nfs/dbraw/zinc/19/92/72/616199272.db2.gz LZBKRLUBMWVQIO-NWDGAFQWSA-N 2 2 299.382 0.917 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000872780564 616199273 /nfs/dbraw/zinc/19/92/73/616199273.db2.gz LZBKRLUBMWVQIO-NWDGAFQWSA-N 2 2 299.382 0.917 20 0 CCADLP C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000911570173 616202220 /nfs/dbraw/zinc/20/22/20/616202220.db2.gz GRBYKUPPWTWLPA-IUODEOHRSA-N 2 2 292.383 0.161 20 0 CCADLP C[N@H+]1CCC[C@@](O)(CC(=O)N[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000911570173 616202221 /nfs/dbraw/zinc/20/22/21/616202221.db2.gz GRBYKUPPWTWLPA-IUODEOHRSA-N 2 2 292.383 0.161 20 0 CCADLP CN1CCC[C@H]([N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)C1=O ZINC000879580777 616206600 /nfs/dbraw/zinc/20/66/00/616206600.db2.gz KKMYEAJOBWUJAQ-AVGNSLFASA-N 2 2 251.374 0.633 20 0 CCADLP CN1CCC[C@H]([N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)C1=O ZINC000879580777 616206601 /nfs/dbraw/zinc/20/66/01/616206601.db2.gz KKMYEAJOBWUJAQ-AVGNSLFASA-N 2 2 251.374 0.633 20 0 CCADLP CN1CCC[C@H]([NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)C1=O ZINC000879580777 616206602 /nfs/dbraw/zinc/20/66/02/616206602.db2.gz KKMYEAJOBWUJAQ-AVGNSLFASA-N 2 2 251.374 0.633 20 0 CCADLP CN1CCC[C@H]([NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)C1=O ZINC000879580777 616206603 /nfs/dbraw/zinc/20/66/03/616206603.db2.gz KKMYEAJOBWUJAQ-AVGNSLFASA-N 2 2 251.374 0.633 20 0 CCADLP C[N@@H+]1CCN(C(=O)C2C[NH+](C3CCCCC3)C2)C[C@@H]1CO ZINC000913541469 616221223 /nfs/dbraw/zinc/22/12/23/616221223.db2.gz NGWOBMWJNQOILQ-OAHLLOKOSA-N 2 2 295.427 0.386 20 0 CCADLP C[N@H+]1CCN(C(=O)C2C[NH+](C3CCCCC3)C2)C[C@@H]1CO ZINC000913541469 616221224 /nfs/dbraw/zinc/22/12/24/616221224.db2.gz NGWOBMWJNQOILQ-OAHLLOKOSA-N 2 2 295.427 0.386 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1C[C@]12CCOC2 ZINC000886307305 616223230 /nfs/dbraw/zinc/22/32/30/616223230.db2.gz OUHUGSREIAGTQK-ZFWWWQNUSA-N 2 2 281.400 0.119 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1C[C@]12CCOC2 ZINC000886307305 616223231 /nfs/dbraw/zinc/22/32/31/616223231.db2.gz OUHUGSREIAGTQK-ZFWWWQNUSA-N 2 2 281.400 0.119 20 0 CCADLP CN(CC(=O)N1CC[NH+](C)CC1)c1[nH+]cnc2[nH]ccc21 ZINC000894958176 616223240 /nfs/dbraw/zinc/22/32/40/616223240.db2.gz MUNKDWHPANRDMK-UHFFFAOYSA-N 2 2 288.355 0.168 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cccc(Cl)c2N)CC1 ZINC000876984991 616223478 /nfs/dbraw/zinc/22/34/78/616223478.db2.gz RPFZCEBMCARASQ-UHFFFAOYSA-N 2 2 296.802 0.786 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC000882935239 616223789 /nfs/dbraw/zinc/22/37/89/616223789.db2.gz KAQIJPYDZWAFEO-BTTYYORXSA-N 2 2 265.401 0.929 20 0 CCADLP CN1CCN(C(=O)[C@@H]2CC[NH+]2C(C)(C)C)CC[N@H+](C)CC1 ZINC000888980642 616235750 /nfs/dbraw/zinc/23/57/50/616235750.db2.gz KHQKMBVPQLPPMY-AWEZNQCLSA-N 2 2 296.459 0.565 20 0 CCADLP CN1CCN(C(=O)[C@@H]2CC[NH+]2C(C)(C)C)CC[N@@H+](C)CC1 ZINC000888980642 616235751 /nfs/dbraw/zinc/23/57/51/616235751.db2.gz KHQKMBVPQLPPMY-AWEZNQCLSA-N 2 2 296.459 0.565 20 0 CCADLP CN1CCN(C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)CC[NH+](C)CC1 ZINC000888980642 616235752 /nfs/dbraw/zinc/23/57/52/616235752.db2.gz KHQKMBVPQLPPMY-AWEZNQCLSA-N 2 2 296.459 0.565 20 0 CCADLP CN1CCN(C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)CC[NH+](C)CC1 ZINC000888980642 616235753 /nfs/dbraw/zinc/23/57/53/616235753.db2.gz KHQKMBVPQLPPMY-AWEZNQCLSA-N 2 2 296.459 0.565 20 0 CCADLP CN1CCN(C(=O)[C@H]2CCC[NH+]2C2CC2)CC[N@H+](C)CC1 ZINC000888984887 616236049 /nfs/dbraw/zinc/23/60/49/616236049.db2.gz BZGBNTLUHYVXRN-OAHLLOKOSA-N 2 2 294.443 0.319 20 0 CCADLP CN1CCN(C(=O)[C@H]2CCC[NH+]2C2CC2)CC[N@@H+](C)CC1 ZINC000888984887 616236050 /nfs/dbraw/zinc/23/60/50/616236050.db2.gz BZGBNTLUHYVXRN-OAHLLOKOSA-N 2 2 294.443 0.319 20 0 CCADLP CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC[NH+](C)CC1 ZINC000888984887 616236051 /nfs/dbraw/zinc/23/60/51/616236051.db2.gz BZGBNTLUHYVXRN-OAHLLOKOSA-N 2 2 294.443 0.319 20 0 CCADLP CN1CCN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CC[NH+](C)CC1 ZINC000888984887 616236052 /nfs/dbraw/zinc/23/60/52/616236052.db2.gz BZGBNTLUHYVXRN-OAHLLOKOSA-N 2 2 294.443 0.319 20 0 CCADLP C[NH+]1CCN(c2cc(C[NH2+]Cc3cnc[nH]3)ccn2)CC1 ZINC000894182847 616246811 /nfs/dbraw/zinc/24/68/11/616246811.db2.gz HTPOPWNCZDGRNF-UHFFFAOYSA-N 2 2 286.383 0.846 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccon4)C[C@H]32)C1 ZINC000962550645 616267736 /nfs/dbraw/zinc/26/77/36/616267736.db2.gz FVPJNVMTYNRSOP-ZZVYKPCYSA-N 2 2 290.367 0.173 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccon4)C[C@H]32)C1 ZINC000962550645 616267737 /nfs/dbraw/zinc/26/77/37/616267737.db2.gz FVPJNVMTYNRSOP-ZZVYKPCYSA-N 2 2 290.367 0.173 20 0 CCADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccon4)C[C@H]32)C1 ZINC000962550645 616267738 /nfs/dbraw/zinc/26/77/38/616267738.db2.gz FVPJNVMTYNRSOP-ZZVYKPCYSA-N 2 2 290.367 0.173 20 0 CCADLP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccon4)C[C@H]32)C1 ZINC000962550645 616267739 /nfs/dbraw/zinc/26/77/39/616267739.db2.gz FVPJNVMTYNRSOP-ZZVYKPCYSA-N 2 2 290.367 0.173 20 0 CCADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+]([C@H]1CCC(=O)NC1=O)C2 ZINC000852106463 616351698 /nfs/dbraw/zinc/35/16/98/616351698.db2.gz YTJODUNFRXFRGN-FZMZJTMJSA-N 2 2 265.357 0.209 20 0 CCADLP C[N@H+]1CC[C@]2(C1)CCC[NH+]([C@H]1CCC(=O)NC1=O)C2 ZINC000852106463 616351700 /nfs/dbraw/zinc/35/17/00/616351700.db2.gz YTJODUNFRXFRGN-FZMZJTMJSA-N 2 2 265.357 0.209 20 0 CCADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC000852106463 616351704 /nfs/dbraw/zinc/35/17/04/616351704.db2.gz YTJODUNFRXFRGN-FZMZJTMJSA-N 2 2 265.357 0.209 20 0 CCADLP C[NH+]1CC[C@]2(C1)CCC[N@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC000852106463 616351705 /nfs/dbraw/zinc/35/17/05/616351705.db2.gz YTJODUNFRXFRGN-FZMZJTMJSA-N 2 2 265.357 0.209 20 0 CCADLP C[N@@H+]1C[C@@H]2CCN(C(=O)NCCCn3cc[nH+]c3)[C@@H]2C1 ZINC000891426011 616354903 /nfs/dbraw/zinc/35/49/03/616354903.db2.gz HGLZBSKZWPCSHD-QWHCGFSZSA-N 2 2 277.372 0.619 20 0 CCADLP C[N@H+]1C[C@@H]2CCN(C(=O)NCCCn3cc[nH+]c3)[C@@H]2C1 ZINC000891426011 616354906 /nfs/dbraw/zinc/35/49/06/616354906.db2.gz HGLZBSKZWPCSHD-QWHCGFSZSA-N 2 2 277.372 0.619 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000887925956 616380353 /nfs/dbraw/zinc/38/03/53/616380353.db2.gz VWPSEYSIMSUEML-JXFSHQFZSA-N 2 2 288.395 0.934 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000887925956 616380355 /nfs/dbraw/zinc/38/03/55/616380355.db2.gz VWPSEYSIMSUEML-JXFSHQFZSA-N 2 2 288.395 0.934 20 0 CCADLP C[N@@H+]1C[C@]2(C)C[NH+](CCN3C(=O)CCC3=O)C[C@]2(C)C1 ZINC000931309973 616395438 /nfs/dbraw/zinc/39/54/38/616395438.db2.gz WKQKXBSWJQTETC-GASCZTMLSA-N 2 2 279.384 0.409 20 0 CCADLP C[N@H+]1C[C@]2(C)C[NH+](CCN3C(=O)CCC3=O)C[C@]2(C)C1 ZINC000931309973 616395443 /nfs/dbraw/zinc/39/54/43/616395443.db2.gz WKQKXBSWJQTETC-GASCZTMLSA-N 2 2 279.384 0.409 20 0 CCADLP C[NH+]1C[C@]2(C)C[N@H+](CCN3C(=O)CCC3=O)C[C@]2(C)C1 ZINC000931309973 616395447 /nfs/dbraw/zinc/39/54/47/616395447.db2.gz WKQKXBSWJQTETC-GASCZTMLSA-N 2 2 279.384 0.409 20 0 CCADLP C[NH+]1C[C@]2(C)C[N@@H+](CCN3C(=O)CCC3=O)C[C@]2(C)C1 ZINC000931309973 616395451 /nfs/dbraw/zinc/39/54/51/616395451.db2.gz WKQKXBSWJQTETC-GASCZTMLSA-N 2 2 279.384 0.409 20 0 CCADLP C[N@@H+]1C[C@]2(C)C[NH+](C[C@H](O)C[C@@]3(O)CCOC3)C[C@]2(C)C1 ZINC000931317593 616396236 /nfs/dbraw/zinc/39/62/36/616396236.db2.gz POISWLULCQXEBQ-WCVJEAGWSA-N 2 2 298.427 0.162 20 0 CCADLP C[N@H+]1C[C@]2(C)C[NH+](C[C@H](O)C[C@@]3(O)CCOC3)C[C@]2(C)C1 ZINC000931317593 616396241 /nfs/dbraw/zinc/39/62/41/616396241.db2.gz POISWLULCQXEBQ-WCVJEAGWSA-N 2 2 298.427 0.162 20 0 CCADLP C[NH+]1C[C@]2(C)C[N@H+](C[C@H](O)C[C@@]3(O)CCOC3)C[C@]2(C)C1 ZINC000931317593 616396249 /nfs/dbraw/zinc/39/62/49/616396249.db2.gz POISWLULCQXEBQ-WCVJEAGWSA-N 2 2 298.427 0.162 20 0 CCADLP C[NH+]1C[C@]2(C)C[N@@H+](C[C@H](O)C[C@@]3(O)CCOC3)C[C@]2(C)C1 ZINC000931317593 616396254 /nfs/dbraw/zinc/39/62/54/616396254.db2.gz POISWLULCQXEBQ-WCVJEAGWSA-N 2 2 298.427 0.162 20 0 CCADLP COC/C=C\C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000865751186 616410117 /nfs/dbraw/zinc/41/01/17/616410117.db2.gz WTHMDSUCJOBBDM-SCOBNMCVSA-N 2 2 281.400 0.474 20 0 CCADLP COC/C=C\C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000865751186 616410121 /nfs/dbraw/zinc/41/01/21/616410121.db2.gz WTHMDSUCJOBBDM-SCOBNMCVSA-N 2 2 281.400 0.474 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000896257453 616413001 /nfs/dbraw/zinc/41/30/01/616413001.db2.gz FRPREJCCCOWKEK-ZDUSSCGKSA-N 2 2 294.399 0.764 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000896257453 616413005 /nfs/dbraw/zinc/41/30/05/616413005.db2.gz FRPREJCCCOWKEK-ZDUSSCGKSA-N 2 2 294.399 0.764 20 0 CCADLP C[N@@H+]1CC[C@H]2CN(S(=O)(=O)CCn3cc[nH+]c3)CC[C@@H]21 ZINC000882501222 616445868 /nfs/dbraw/zinc/44/58/68/616445868.db2.gz NUSLRVVSMWTNPE-STQMWFEESA-N 2 2 298.412 0.239 20 0 CCADLP C[N@H+]1CC[C@H]2CN(S(=O)(=O)CCn3cc[nH+]c3)CC[C@@H]21 ZINC000882501222 616445871 /nfs/dbraw/zinc/44/58/71/616445871.db2.gz NUSLRVVSMWTNPE-STQMWFEESA-N 2 2 298.412 0.239 20 0 CCADLP COC(=O)[C@@H]1[C@H](C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1(F)F ZINC000894581367 616511069 /nfs/dbraw/zinc/51/10/69/616511069.db2.gz PWRVGZVCJAWDTO-VLEAKVRGSA-N 2 2 274.311 0.534 20 0 CCADLP COC(=O)[C@@H]1[C@H](C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C1(F)F ZINC000894581367 616511072 /nfs/dbraw/zinc/51/10/72/616511072.db2.gz PWRVGZVCJAWDTO-VLEAKVRGSA-N 2 2 274.311 0.534 20 0 CCADLP COC(=O)[C@@H]1[C@H](C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C1(F)F ZINC000894581367 616511075 /nfs/dbraw/zinc/51/10/75/616511075.db2.gz PWRVGZVCJAWDTO-VLEAKVRGSA-N 2 2 274.311 0.534 20 0 CCADLP COC(=O)[C@@H]1[C@H](C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C1(F)F ZINC000894581367 616511078 /nfs/dbraw/zinc/51/10/78/616511078.db2.gz PWRVGZVCJAWDTO-VLEAKVRGSA-N 2 2 274.311 0.534 20 0 CCADLP Cn1ncc(C[NH3+])c1C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000877247398 616518021 /nfs/dbraw/zinc/51/80/21/616518021.db2.gz JNROGMCUKFIGNJ-AWEZNQCLSA-N 2 2 299.378 0.795 20 0 CCADLP Cn1ncc(C[NH3+])c1C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000877247398 616518025 /nfs/dbraw/zinc/51/80/25/616518025.db2.gz JNROGMCUKFIGNJ-AWEZNQCLSA-N 2 2 299.378 0.795 20 0 CCADLP C[N@@H+]1Cc2ccccc2[C@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925728392 616519726 /nfs/dbraw/zinc/51/97/26/616519726.db2.gz UGCPCLYRYXUTPA-DZGCQCFKSA-N 2 2 261.369 0.751 20 0 CCADLP C[N@H+]1Cc2ccccc2[C@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925728392 616519730 /nfs/dbraw/zinc/51/97/30/616519730.db2.gz UGCPCLYRYXUTPA-DZGCQCFKSA-N 2 2 261.369 0.751 20 0 CCADLP CNC(=O)C1([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CCCC1 ZINC000809963228 616549819 /nfs/dbraw/zinc/54/98/19/616549819.db2.gz SJDAULQDHMPBBS-GFCCVEGCSA-N 2 2 269.389 0.090 20 0 CCADLP CNC(=O)C1([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CCCC1 ZINC000809963228 616549821 /nfs/dbraw/zinc/54/98/21/616549821.db2.gz SJDAULQDHMPBBS-GFCCVEGCSA-N 2 2 269.389 0.090 20 0 CCADLP COCCOCCOCC[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000903770685 616552871 /nfs/dbraw/zinc/55/28/71/616552871.db2.gz YGOARJQUHHFRKG-KGLIPLIRSA-N 2 2 272.389 0.479 20 0 CCADLP COCCOCCOCC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000903770685 616552872 /nfs/dbraw/zinc/55/28/72/616552872.db2.gz YGOARJQUHHFRKG-KGLIPLIRSA-N 2 2 272.389 0.479 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000923398730 616624477 /nfs/dbraw/zinc/62/44/77/616624477.db2.gz LOSJVHLZFLWNCS-RWMBFGLXSA-N 2 2 272.389 0.273 20 0 CCADLP COC(=O)C[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@H]1C ZINC000932102752 616665476 /nfs/dbraw/zinc/66/54/76/616665476.db2.gz IRLFZQPEZMHLKA-BZPMIXESSA-N 2 2 284.400 0.573 20 0 CCADLP COC(=O)C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@H]1C ZINC000932102752 616665478 /nfs/dbraw/zinc/66/54/78/616665478.db2.gz IRLFZQPEZMHLKA-BZPMIXESSA-N 2 2 284.400 0.573 20 0 CCADLP COC(=O)C[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C[C@H]1C ZINC000932102752 616665479 /nfs/dbraw/zinc/66/54/79/616665479.db2.gz IRLFZQPEZMHLKA-BZPMIXESSA-N 2 2 284.400 0.573 20 0 CCADLP COC(=O)C[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C[C@H]1C ZINC000932102752 616665481 /nfs/dbraw/zinc/66/54/81/616665481.db2.gz IRLFZQPEZMHLKA-BZPMIXESSA-N 2 2 284.400 0.573 20 0 CCADLP CO[C@@H]1C[N@H+](C[C@@H](O)CCOC(C)C)[C@](C)(C[NH3+])C1 ZINC000923409186 616773215 /nfs/dbraw/zinc/77/32/15/616773215.db2.gz BIGDDVLXZOYLNB-IHRRRGAJSA-N 2 2 274.405 0.601 20 0 CCADLP CO[C@@H]1C[N@@H+](C[C@@H](O)CCOC(C)C)[C@](C)(C[NH3+])C1 ZINC000923409186 616773218 /nfs/dbraw/zinc/77/32/18/616773218.db2.gz BIGDDVLXZOYLNB-IHRRRGAJSA-N 2 2 274.405 0.601 20 0 CCADLP COC[C@@H](C)C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000895685258 616788947 /nfs/dbraw/zinc/78/89/47/616788947.db2.gz KNUYRRJKDWNALA-HOTGVXAUSA-N 2 2 299.459 0.655 20 0 CCADLP COC(=O)N1CCC([C@@H](C)[NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925642306 616826258 /nfs/dbraw/zinc/82/62/58/616826258.db2.gz HMOJCXQHNNVYQP-DGCLKSJQSA-N 2 2 285.388 0.431 20 0 CCADLP COC(=O)N1CCC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000817903655 616839536 /nfs/dbraw/zinc/83/95/36/616839536.db2.gz SGCPCUCFLXOMDE-GRYCIOLGSA-N 2 2 255.362 0.805 20 0 CCADLP COCCC1([NH2+]Cc2ccn(C)n2)CC[NH2+]CC1 ZINC000873224564 616850468 /nfs/dbraw/zinc/85/04/68/616850468.db2.gz FXZRKBAOASNOBW-UHFFFAOYSA-N 2 2 252.362 0.668 20 0 CCADLP COCCN(C)C(=[NH2+])NCc1c[nH+]c2n1CCCC2 ZINC000871606751 616947206 /nfs/dbraw/zinc/94/72/06/616947206.db2.gz QUXWWDKZWJUNIS-UHFFFAOYSA-N 2 2 265.361 0.822 20 0 CCADLP COCC[N@H+](C)CCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925545104 616956327 /nfs/dbraw/zinc/95/63/27/616956327.db2.gz XEZQRUMQEZAEAK-STQMWFEESA-N 3 2 255.406 0.814 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925545104 616956328 /nfs/dbraw/zinc/95/63/28/616956328.db2.gz XEZQRUMQEZAEAK-STQMWFEESA-N 3 2 255.406 0.814 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934766004 616967778 /nfs/dbraw/zinc/96/77/78/616967778.db2.gz AFOUEBTWUMAMTC-RDBSUJKOSA-N 2 2 288.457 0.610 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934766004 616967781 /nfs/dbraw/zinc/96/77/81/616967781.db2.gz AFOUEBTWUMAMTC-RDBSUJKOSA-N 2 2 288.457 0.610 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934766004 616967785 /nfs/dbraw/zinc/96/77/85/616967785.db2.gz AFOUEBTWUMAMTC-RDBSUJKOSA-N 2 2 288.457 0.610 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934766004 616967788 /nfs/dbraw/zinc/96/77/88/616967788.db2.gz AFOUEBTWUMAMTC-RDBSUJKOSA-N 2 2 288.457 0.610 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccccn2)C1 ZINC000846889058 616967855 /nfs/dbraw/zinc/96/78/55/616967855.db2.gz MJJNLYBGLIMLGX-GJZGRUSLSA-N 2 2 293.411 0.810 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccccn2)C1 ZINC000846889058 616967856 /nfs/dbraw/zinc/96/78/56/616967856.db2.gz MJJNLYBGLIMLGX-GJZGRUSLSA-N 2 2 293.411 0.810 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000846889058 616967857 /nfs/dbraw/zinc/96/78/57/616967857.db2.gz MJJNLYBGLIMLGX-GJZGRUSLSA-N 2 2 293.411 0.810 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000846889058 616967859 /nfs/dbraw/zinc/96/78/59/616967859.db2.gz MJJNLYBGLIMLGX-GJZGRUSLSA-N 2 2 293.411 0.810 20 0 CCADLP CON(C)C(=O)C1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000878634652 616999195 /nfs/dbraw/zinc/99/91/95/616999195.db2.gz KEHGQZPEMFNSMW-UHFFFAOYSA-N 2 2 280.372 0.694 20 0 CCADLP CON(C)C(=O)CC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000819143879 617019707 /nfs/dbraw/zinc/01/97/07/617019707.db2.gz PUUIZEXFFDBFMP-MNOVXSKESA-N 2 2 255.362 0.611 20 0 CCADLP CON(C)C(=O)CC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000819143879 617019709 /nfs/dbraw/zinc/01/97/09/617019709.db2.gz PUUIZEXFFDBFMP-MNOVXSKESA-N 2 2 255.362 0.611 20 0 CCADLP CON(C)C(=O)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880258974 617022646 /nfs/dbraw/zinc/02/26/46/617022646.db2.gz FOQKTFIRKFGZTQ-GFCCVEGCSA-N 2 2 278.356 0.612 20 0 CCADLP CON(C)C(=O)C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880258974 617022649 /nfs/dbraw/zinc/02/26/49/617022649.db2.gz FOQKTFIRKFGZTQ-GFCCVEGCSA-N 2 2 278.356 0.612 20 0 CCADLP CON(C)C(=O)[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858323358 617055659 /nfs/dbraw/zinc/05/56/59/617055659.db2.gz IFGYSQYBLNNNSC-MNOVXSKESA-N 2 2 257.378 0.857 20 0 CCADLP CON(C)C(=O)[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858323358 617055662 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COc1c(C)c[nH+]c(CN2CC([N@@H+]3CC[C@@H](O)C3)C2)c1C ZINC000877605450 617145330 /nfs/dbraw/zinc/14/53/30/617145330.db2.gz REOGVAREXNNLMB-CQSZACIVSA-N 2 2 291.395 0.958 20 0 CCADLP COc1c(C)c[nH+]c(CN2CC([N@H+]3CC[C@@H](O)C3)C2)c1C ZINC000877605450 617145331 /nfs/dbraw/zinc/14/53/31/617145331.db2.gz REOGVAREXNNLMB-CQSZACIVSA-N 2 2 291.395 0.958 20 0 CCADLP CO[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC000962148774 617157044 /nfs/dbraw/zinc/15/70/44/617157044.db2.gz PEWHRMKTLDRYBI-KZWBYHQPSA-N 2 2 278.356 0.034 20 0 CCADLP CO[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC000962148774 617157045 /nfs/dbraw/zinc/15/70/45/617157045.db2.gz PEWHRMKTLDRYBI-KZWBYHQPSA-N 2 2 278.356 0.034 20 0 CCADLP OCC[NH2+]C1CCN(c2nccn3c[nH+]cc23)CC1 ZINC000893020477 625293942 /nfs/dbraw/zinc/29/39/42/625293942.db2.gz JIWPCYPFYPTKBT-UHFFFAOYSA-N 2 2 261.329 0.280 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1[C@H]2C[N@H+](C/C=C/Cl)C[C@H]21 ZINC001026140082 625340860 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Cc1ncoc1C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001022775936 622744341 /nfs/dbraw/zinc/74/43/41/622744341.db2.gz ONWQVJSKNHFQDG-PHIMTYICSA-N 2 2 289.339 0.686 20 0 CCADLP CC(C)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001022886999 622833383 /nfs/dbraw/zinc/83/33/83/622833383.db2.gz WCUFKBPYXHJXJC-PHIMTYICSA-N 2 2 250.346 0.845 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC001022889105 622834446 /nfs/dbraw/zinc/83/44/46/622834446.db2.gz YTBLJDFGNJNODY-FRRDWIJNSA-N 2 2 292.383 0.758 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCCCO2)C1 ZINC001023161259 622931118 /nfs/dbraw/zinc/93/11/18/622931118.db2.gz UBGXKJMGYRMCBS-HZSPNIEDSA-N 2 2 292.383 0.689 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCCO2)C1 ZINC001023161260 622932022 /nfs/dbraw/zinc/93/20/22/622932022.db2.gz UBGXKJMGYRMCBS-MJBXVCDLSA-N 2 2 292.383 0.689 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]Cc2nncs2)C1 ZINC001023161140 622935814 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0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000902452138 634389658 /nfs/dbraw/zinc/38/96/58/634389658.db2.gz JDNBVWWBBQHQQU-UCHMUAQZSA-N 2 2 252.358 0.519 20 0 CCADLP Cn1cc(C[NH2+][C@H]2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)cn1 ZINC001020635077 624555595 /nfs/dbraw/zinc/55/55/95/624555595.db2.gz DGFMSVOPDXJJJI-HAQNSBGRSA-N 2 2 288.355 0.123 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000970097352 624597639 /nfs/dbraw/zinc/59/76/39/624597639.db2.gz BSBVWCOXYWWNNR-CYBMUJFWSA-N 2 2 285.351 0.738 20 0 CCADLP Cc1cc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)on1 ZINC000970097334 624598597 /nfs/dbraw/zinc/59/85/97/624598597.db2.gz AVPKUSAONCHZAM-LLVKDONJSA-N 2 2 289.339 0.639 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]CC2CCC2)C1 ZINC000970102991 624601779 /nfs/dbraw/zinc/60/17/79/624601779.db2.gz JTCHZUNYXCVULN-GFCCVEGCSA-N 2 2 262.357 0.943 20 0 CCADLP C[C@H]1CC[C@H](C[NH2+][C@H]2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)O1 ZINC001020819336 624606819 /nfs/dbraw/zinc/60/68/19/624606819.db2.gz UNLDLJKWDCRQDS-ZDEQEGDKSA-N 2 2 292.383 0.757 20 0 CCADLP Cn1nccc1C[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001020819145 624606842 /nfs/dbraw/zinc/60/68/42/624606842.db2.gz PQYASCGKRBXXEA-XYPYZODXSA-N 2 2 288.355 0.123 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001020928236 624625745 /nfs/dbraw/zinc/62/57/45/624625745.db2.gz ZMXNLUHNQGOOIF-AVGNSLFASA-N 2 2 292.383 0.236 20 0 CCADLP CC(C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001021079696 624658750 /nfs/dbraw/zinc/65/87/50/624658750.db2.gz CVBPTDMMYFPHTH-RBSFLKMASA-N 2 2 295.427 0.742 20 0 CCADLP Cc1oncc1C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001021126489 624662264 /nfs/dbraw/zinc/66/22/64/624662264.db2.gz PWIHKQNFNAYIPZ-JOCQHMNTSA-N 2 2 289.339 0.617 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC000970340538 624677835 /nfs/dbraw/zinc/67/78/35/624677835.db2.gz BHYZGXSYSIXKDE-OLZOCXBDSA-N 2 2 292.383 0.712 20 0 CCADLP C[C@@H](NC(=O)[C@H]1CCCc2[nH+]c[nH]c21)C1C[NH+](CCO)C1 ZINC000970407628 624684037 /nfs/dbraw/zinc/68/40/37/624684037.db2.gz LSPCHWQEKJAOKW-PWSUYJOCSA-N 2 2 292.383 0.258 20 0 CCADLP Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC000970712066 624736608 /nfs/dbraw/zinc/73/66/08/624736608.db2.gz KQFHOPIJZBDSQT-VXGBXAGGSA-N 2 2 293.371 0.020 20 0 CCADLP Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC000970712066 624736617 /nfs/dbraw/zinc/73/66/17/624736617.db2.gz KQFHOPIJZBDSQT-VXGBXAGGSA-N 2 2 293.371 0.020 20 0 CCADLP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001022311438 624921049 /nfs/dbraw/zinc/92/10/49/624921049.db2.gz QNAACJXLXZXFSV-SDDRHHMPSA-N 2 2 262.357 0.702 20 0 CCADLP C[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000971989815 625046195 /nfs/dbraw/zinc/04/61/95/625046195.db2.gz RCISPSPMAXGCBI-STQMWFEESA-N 2 2 294.399 0.266 20 0 CCADLP C[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000971989815 625046205 /nfs/dbraw/zinc/04/62/05/625046205.db2.gz RCISPSPMAXGCBI-STQMWFEESA-N 2 2 294.399 0.266 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903028407 634529496 /nfs/dbraw/zinc/52/94/96/634529496.db2.gz NYHHNXSXPXABJP-UONOGXRCSA-N 2 2 291.399 0.420 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903028407 634529502 /nfs/dbraw/zinc/52/95/02/634529502.db2.gz NYHHNXSXPXABJP-UONOGXRCSA-N 2 2 291.399 0.420 20 0 CCADLP Cn1nnnc1CCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000903351845 634555051 /nfs/dbraw/zinc/55/50/51/634555051.db2.gz PQXYPIRNHLRLQB-OLZOCXBDSA-N 2 2 278.404 0.749 20 0 CCADLP Cn1nnnc1CCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000903351845 634555053 /nfs/dbraw/zinc/55/50/53/634555053.db2.gz PQXYPIRNHLRLQB-OLZOCXBDSA-N 2 2 278.404 0.749 20 0 CCADLP O=C([C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]2)C1)N1CCOCC1 ZINC000903429914 634559978 /nfs/dbraw/zinc/55/99/78/634559978.db2.gz KXGVETHAHDKBLZ-ZIAGYGMSSA-N 2 2 281.400 0.309 20 0 CCADLP O=C([C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]2)C1)N1CCOCC1 ZINC000903429914 634559982 /nfs/dbraw/zinc/55/99/82/634559982.db2.gz KXGVETHAHDKBLZ-ZIAGYGMSSA-N 2 2 281.400 0.309 20 0 CCADLP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](C[C@H]3CCC[NH2+]3)CC2)C1 ZINC000903459981 634564873 /nfs/dbraw/zinc/56/48/73/634564873.db2.gz SVFMOSJVDADIKI-KFWWJZLASA-N 3 2 267.417 0.957 20 0 CCADLP O=S1(=O)CCC[C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000903470746 634572367 /nfs/dbraw/zinc/57/23/67/634572367.db2.gz CGIUOVUMMIETLW-NWDGAFQWSA-N 2 2 272.414 0.685 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2[nH]nc3c2COCC3)C1 ZINC000903713704 634633594 /nfs/dbraw/zinc/63/35/94/634633594.db2.gz ZWNARHCEUFLTGR-JTQLQIEISA-N 2 2 250.346 0.653 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2[nH]nc3c2COCC3)C1 ZINC000903713704 634633598 /nfs/dbraw/zinc/63/35/98/634633598.db2.gz ZWNARHCEUFLTGR-JTQLQIEISA-N 2 2 250.346 0.653 20 0 CCADLP [NH3+]C[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903713602 634634058 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CCADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000903932913 634691784 /nfs/dbraw/zinc/69/17/84/634691784.db2.gz ICMJTBMGKCMGRI-NXEZZACHSA-N 2 2 259.304 0.583 20 0 CCADLP [NH3+][C@H](CC(F)F)C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000903932913 634691787 /nfs/dbraw/zinc/69/17/87/634691787.db2.gz ICMJTBMGKCMGRI-NXEZZACHSA-N 2 2 259.304 0.583 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cn(Cc2cccnc2)nn1 ZINC000903968448 634702106 /nfs/dbraw/zinc/70/21/06/634702106.db2.gz WOBAXVOGCQOTHM-OCCSQVGLSA-N 2 2 286.383 0.667 20 0 CCADLP C[C@]1(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)CCC[NH2+]C1 ZINC000904327945 634729244 /nfs/dbraw/zinc/72/92/44/634729244.db2.gz JVOWIENQVXHEJE-YPMHNXCESA-N 2 2 252.362 0.086 20 0 CCADLP C[C@]1(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)CCC[NH2+]C1 ZINC000904327945 634729249 /nfs/dbraw/zinc/72/92/49/634729249.db2.gz JVOWIENQVXHEJE-YPMHNXCESA-N 2 2 252.362 0.086 20 0 CCADLP C[C@H]([NH2+]C1CCN(CC[NH3+])CC1)C(=O)OC1CCCC1 ZINC000904369261 634735892 /nfs/dbraw/zinc/73/58/92/634735892.db2.gz QZHXCHJWLDGOHA-LBPRGKRZSA-N 2 2 283.416 0.873 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1(O)CCCC1 ZINC000905261965 634829568 /nfs/dbraw/zinc/82/95/68/634829568.db2.gz DKQHDSUJCGDPRK-MFKMUULPSA-N 2 2 265.357 0.523 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]([N@H+](C)CCO)C1 ZINC001027612014 630801046 /nfs/dbraw/zinc/80/10/46/630801046.db2.gz ZYJCTKMDCJWJCX-GXTWGEPZSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]([N@@H+](C)CCO)C1 ZINC001027612014 630801048 /nfs/dbraw/zinc/80/10/48/630801048.db2.gz ZYJCTKMDCJWJCX-GXTWGEPZSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]([N@H+](C)CCO)C1 ZINC001027612014 630801052 /nfs/dbraw/zinc/80/10/52/630801052.db2.gz ZYJCTKMDCJWJCX-GXTWGEPZSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]([N@@H+](C)CCO)C1 ZINC001027612014 630801055 /nfs/dbraw/zinc/80/10/55/630801055.db2.gz ZYJCTKMDCJWJCX-GXTWGEPZSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@@H](O)C[N@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001027652939 630836317 /nfs/dbraw/zinc/83/63/17/630836317.db2.gz WJOSQQVFDJHGKN-CHWSQXEVSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@@H](O)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001027652939 630836322 /nfs/dbraw/zinc/83/63/22/630836322.db2.gz WJOSQQVFDJHGKN-CHWSQXEVSA-N 2 2 294.399 0.266 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]([N@H+](C)CCO)C1 ZINC001027664422 630840224 /nfs/dbraw/zinc/84/02/24/630840224.db2.gz VFPLWTCKOKQXMY-LBPRGKRZSA-N 2 2 280.372 0.176 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]([N@@H+](C)CCO)C1 ZINC001027664422 630840225 /nfs/dbraw/zinc/84/02/25/630840225.db2.gz VFPLWTCKOKQXMY-LBPRGKRZSA-N 2 2 280.372 0.176 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[C@H]([NH2+]CCF)C1 ZINC000981550501 631288302 /nfs/dbraw/zinc/28/83/02/631288302.db2.gz NLQAQAHQEIQCTH-RYUDHWBXSA-N 2 2 268.336 0.870 20 0 CCADLP Cc1cc(CC[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)nn1C ZINC000925831138 631363443 /nfs/dbraw/zinc/36/34/43/631363443.db2.gz CIYXZJWHCAULGE-FZMZJTMJSA-N 2 2 266.389 0.628 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[N@@H+](CCCF)CC1 ZINC000982039021 631371704 /nfs/dbraw/zinc/37/17/04/631371704.db2.gz WDRAUORYVKMKTD-UHFFFAOYSA-N 2 2 268.336 0.846 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[N@H+](CCCF)CC1 ZINC000982039021 631371710 /nfs/dbraw/zinc/37/17/10/631371710.db2.gz WDRAUORYVKMKTD-UHFFFAOYSA-N 2 2 268.336 0.846 20 0 CCADLP Cn1nccc1[C@H](O)C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925888671 631434443 /nfs/dbraw/zinc/43/44/43/631434443.db2.gz FBKKBDHVBGKBNY-QHNDTCHMSA-N 2 2 262.357 0.040 20 0 CCADLP C[C@H]1CC[N@H+](CCCO)C[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000968544519 650019626 /nfs/dbraw/zinc/01/96/26/650019626.db2.gz PCXHHCZIQPXVQI-JSGCOSHPSA-N 2 2 294.399 0.172 20 0 CCADLP C[C@H]1CC[N@@H+](CCCO)C[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000968544519 650019628 /nfs/dbraw/zinc/01/96/28/650019628.db2.gz PCXHHCZIQPXVQI-JSGCOSHPSA-N 2 2 294.399 0.172 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[N@@H+](CCO)CC[C@H]1C ZINC000968596631 650022420 /nfs/dbraw/zinc/02/24/20/650022420.db2.gz LBVOQBDQVZPVQP-MFKMUULPSA-N 2 2 280.372 0.080 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[N@H+](CCO)CC[C@H]1C ZINC000968596631 650022421 /nfs/dbraw/zinc/02/24/21/650022421.db2.gz LBVOQBDQVZPVQP-MFKMUULPSA-N 2 2 280.372 0.080 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)CCc2c[nH+]cn2C)CC[N@@H+]1C ZINC000928437457 631840568 /nfs/dbraw/zinc/84/05/68/631840568.db2.gz DPMVBSUMRNMVDX-PWSUYJOCSA-N 2 2 250.346 0.562 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)CCc2c[nH+]cn2C)CC[N@H+]1C ZINC000928437457 631840572 /nfs/dbraw/zinc/84/05/72/631840572.db2.gz DPMVBSUMRNMVDX-PWSUYJOCSA-N 2 2 250.346 0.562 20 0 CCADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)[C@H]1CC[NH+]1C(C)(C)C ZINC000909436840 631923368 /nfs/dbraw/zinc/92/33/68/631923368.db2.gz VNNJPPWCUSDQIL-QWHCGFSZSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)[C@H]1CC[NH+]1C(C)(C)C ZINC000909436840 631923373 /nfs/dbraw/zinc/92/33/73/631923373.db2.gz VNNJPPWCUSDQIL-QWHCGFSZSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@H]1C[NH+](CCO)CCN1C(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000909436840 631923391 /nfs/dbraw/zinc/92/33/91/631923391.db2.gz VNNJPPWCUSDQIL-QWHCGFSZSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895703200 632135170 /nfs/dbraw/zinc/13/51/70/632135170.db2.gz AGUXQOMGOGGGHG-AAEUAGOBSA-N 2 2 278.356 0.109 20 0 CCADLP C[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000985484505 632513388 /nfs/dbraw/zinc/51/33/88/632513388.db2.gz KYPJJBKNFJAGJL-CHWSQXEVSA-N 2 2 292.383 0.428 20 0 CCADLP C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000985484505 632513401 /nfs/dbraw/zinc/51/34/01/632513401.db2.gz KYPJJBKNFJAGJL-CHWSQXEVSA-N 2 2 292.383 0.428 20 0 CCADLP C[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000985484505 632513411 /nfs/dbraw/zinc/51/34/11/632513411.db2.gz KYPJJBKNFJAGJL-CHWSQXEVSA-N 2 2 292.383 0.428 20 0 CCADLP C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000985484505 632513419 /nfs/dbraw/zinc/51/34/19/632513419.db2.gz KYPJJBKNFJAGJL-CHWSQXEVSA-N 2 2 292.383 0.428 20 0 CCADLP C[C@H]1[C@H]([NH2+]CCF)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000987264986 632850400 /nfs/dbraw/zinc/85/04/00/632850400.db2.gz GSWYBALUABLHRG-VHSXEESVSA-N 2 2 254.309 0.501 20 0 CCADLP CCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1C ZINC000987264008 632850555 /nfs/dbraw/zinc/85/05/55/632850555.db2.gz CIAPWRRCLFMBLH-MNOVXSKESA-N 2 2 250.346 0.941 20 0 CCADLP C[C@H]1CC[N@H+](CCNC(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000897432036 632879673 /nfs/dbraw/zinc/87/96/73/632879673.db2.gz DAVRYFFDNMIWDP-AWEZNQCLSA-N 2 2 298.431 0.302 20 0 CCADLP C[C@H]1CC[N@@H+](CCNC(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000897432036 632879677 /nfs/dbraw/zinc/87/96/77/632879677.db2.gz DAVRYFFDNMIWDP-AWEZNQCLSA-N 2 2 298.431 0.302 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CC[NH+]2C(C)(C)C)CC[N@@H+]1CCO ZINC000897454856 633000041 /nfs/dbraw/zinc/00/00/41/633000041.db2.gz HMPXTQUQXPVDSZ-CHWSQXEVSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CC[NH+]2C(C)(C)C)CC[N@H+]1CCO ZINC000897454856 633000047 /nfs/dbraw/zinc/00/00/47/633000047.db2.gz HMPXTQUQXPVDSZ-CHWSQXEVSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)CC[NH+]1CCO ZINC000897454856 633000052 /nfs/dbraw/zinc/00/00/52/633000052.db2.gz HMPXTQUQXPVDSZ-CHWSQXEVSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+]2C(C)(C)C)CC[NH+]1CCO ZINC000897454856 633000055 /nfs/dbraw/zinc/00/00/55/633000055.db2.gz HMPXTQUQXPVDSZ-CHWSQXEVSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCF)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000988742974 633100548 /nfs/dbraw/zinc/10/05/48/633100548.db2.gz JAATWAHSDIOOGI-WDEREUQCSA-N 2 2 268.336 0.891 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCCc2nnnn2C)C[N@@H+]1C1CC1 ZINC000898039857 633272279 /nfs/dbraw/zinc/27/22/79/633272279.db2.gz IKVUHECITSAFBL-GHMZBOCLSA-N 2 2 264.377 0.358 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCCc2nnnn2C)C[N@H+]1C1CC1 ZINC000898039857 633272285 /nfs/dbraw/zinc/27/22/85/633272285.db2.gz IKVUHECITSAFBL-GHMZBOCLSA-N 2 2 264.377 0.358 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[N@H+](CCCF)CC1 ZINC000989483780 633317191 /nfs/dbraw/zinc/31/71/91/633317191.db2.gz XZSGJPSXDGXNQB-UHFFFAOYSA-N 2 2 282.363 0.857 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[N@@H+](CCCF)CC1 ZINC000989483780 633317194 /nfs/dbraw/zinc/31/71/94/633317194.db2.gz XZSGJPSXDGXNQB-UHFFFAOYSA-N 2 2 282.363 0.857 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CC2CC2)CN1C(=O)Cc1c[nH+]cn1C ZINC000989677879 633343317 /nfs/dbraw/zinc/34/33/17/633343317.db2.gz AMFYBVNIZOLUDG-YPMHNXCESA-N 2 2 276.384 0.952 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000899241555 633766144 /nfs/dbraw/zinc/76/61/44/633766144.db2.gz LKWICCJSEOXNBV-GMTAPVOTSA-N 2 2 251.334 0.260 20 0 CCADLP C[C@@H]1CO[C@H](C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000900692651 634071539 /nfs/dbraw/zinc/07/15/39/634071539.db2.gz IWEHWXZBTCMSLJ-ZFWWWQNUSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@@H]1CO[C@H](C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000900692651 634071542 /nfs/dbraw/zinc/07/15/42/634071542.db2.gz IWEHWXZBTCMSLJ-ZFWWWQNUSA-N 2 2 297.443 0.896 20 0 CCADLP CCC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001009212944 650140079 /nfs/dbraw/zinc/14/00/79/650140079.db2.gz GOIYYSJUCWIBQQ-LBPRGKRZSA-N 2 2 264.373 0.953 20 0 CCADLP CCC[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001009212944 650140081 /nfs/dbraw/zinc/14/00/81/650140081.db2.gz GOIYYSJUCWIBQQ-LBPRGKRZSA-N 2 2 264.373 0.953 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCC[NH+](CCF)C2)C1 ZINC001009512831 650146585 /nfs/dbraw/zinc/14/65/85/650146585.db2.gz DFTLHBWOKASGPE-NEPJUHHUSA-N 2 2 257.353 0.488 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCC[NH+](CCF)C2)C1 ZINC001009512831 650146586 /nfs/dbraw/zinc/14/65/86/650146586.db2.gz DFTLHBWOKASGPE-NEPJUHHUSA-N 2 2 257.353 0.488 20 0 CCADLP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[N@H+](CCF)C2)C1 ZINC001009512831 650146587 /nfs/dbraw/zinc/14/65/87/650146587.db2.gz DFTLHBWOKASGPE-NEPJUHHUSA-N 2 2 257.353 0.488 20 0 CCADLP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCF)C2)C1 ZINC001009512831 650146588 /nfs/dbraw/zinc/14/65/88/650146588.db2.gz DFTLHBWOKASGPE-NEPJUHHUSA-N 2 2 257.353 0.488 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)CN1C[C@]2(CCCOC2)C1=O ZINC000902189681 634336480 /nfs/dbraw/zinc/33/64/80/634336480.db2.gz WIXCLUQNTXWLKN-HNNXBMFYSA-N 2 2 292.383 0.802 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)CN1C[C@]2(CCCOC2)C1=O ZINC000902189681 634336489 /nfs/dbraw/zinc/33/64/89/634336489.db2.gz WIXCLUQNTXWLKN-HNNXBMFYSA-N 2 2 292.383 0.802 20 0 CCADLP Nc1ccc(Cn2cc(CSCC[NH3+])nn2)c[nH+]1 ZINC000905818014 634911167 /nfs/dbraw/zinc/91/11/67/634911167.db2.gz ZGDPPMXTMXWNJK-UHFFFAOYSA-N 2 2 264.358 0.496 20 0 CCADLP O[C@@H](CCC1(O)CCC1)C[NH2+]CCCn1cc[nH+]c1 ZINC000905869672 634916190 /nfs/dbraw/zinc/91/61/90/634916190.db2.gz GUUUPBLFIITLKA-ZDUSSCGKSA-N 2 2 267.373 0.919 20 0 CCADLP C[C@H](CNC(=O)C1CN(C)CC[N@H+](C)C1)Cn1cc[nH+]c1 ZINC000906766528 635033244 /nfs/dbraw/zinc/03/32/44/635033244.db2.gz OQOMMSULPPTRJQ-CYBMUJFWSA-N 2 2 293.415 0.129 20 0 CCADLP C[C@H](CNC(=O)C1CN(C)CC[N@@H+](C)C1)Cn1cc[nH+]c1 ZINC000906766528 635033250 /nfs/dbraw/zinc/03/32/50/635033250.db2.gz OQOMMSULPPTRJQ-CYBMUJFWSA-N 2 2 293.415 0.129 20 0 CCADLP CS[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH+]1CCCC1 ZINC000907352831 635111093 /nfs/dbraw/zinc/11/10/93/635111093.db2.gz DTGSYAOFFGGKDP-STQMWFEESA-N 2 2 294.424 0.990 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)CNc2cccc[nH+]2)[C@@H](C)C1 ZINC000907520769 635151983 /nfs/dbraw/zinc/15/19/83/635151983.db2.gz ZQOBPYNVCSIBHD-QWHCGFSZSA-N 2 2 292.383 0.407 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)CNc2cccc[nH+]2)[C@@H](C)C1 ZINC000907520769 635151991 /nfs/dbraw/zinc/15/19/91/635151991.db2.gz ZQOBPYNVCSIBHD-QWHCGFSZSA-N 2 2 292.383 0.407 20 0 CCADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[N@@H+]1CC(C)(C)O ZINC000907604925 635165509 /nfs/dbraw/zinc/16/55/09/635165509.db2.gz PWHUZMTZSDSJNO-NSHDSACASA-N 2 2 280.372 0.256 20 0 CCADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[N@H+]1CC(C)(C)O ZINC000907604925 635165511 /nfs/dbraw/zinc/16/55/11/635165511.db2.gz PWHUZMTZSDSJNO-NSHDSACASA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000911720086 636350194 /nfs/dbraw/zinc/35/01/94/636350194.db2.gz HKBVNFPRRDDMNT-CMPLNLGQSA-N 2 2 250.346 0.928 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000911720086 636350199 /nfs/dbraw/zinc/35/01/99/636350199.db2.gz HKBVNFPRRDDMNT-CMPLNLGQSA-N 2 2 250.346 0.928 20 0 CCADLP [NH3+]C1CCC(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000911724150 636351951 /nfs/dbraw/zinc/35/19/51/636351951.db2.gz ADRXFGSRDKZLSF-VOMCLLRMSA-N 2 2 262.357 0.832 20 0 CCADLP [NH3+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CCCCC1 ZINC000911822241 636409292 /nfs/dbraw/zinc/40/92/92/636409292.db2.gz XDLAWTGABVUNEQ-NSHDSACASA-N 2 2 250.346 0.976 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@H]2CCCC[NH+]2C)CCO1 ZINC000912451764 636588786 /nfs/dbraw/zinc/58/87/86/636588786.db2.gz VTLJHDUGOODGQT-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@H]2CCCC[NH+]2C)CCO1 ZINC000912451764 636588794 /nfs/dbraw/zinc/58/87/94/636588794.db2.gz VTLJHDUGOODGQT-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@H]2CCCC[N@@H+]2C)CCO1 ZINC000912451764 636588801 /nfs/dbraw/zinc/58/88/01/636588801.db2.gz VTLJHDUGOODGQT-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@H]2CCCC[N@H+]2C)CCO1 ZINC000912451764 636588807 /nfs/dbraw/zinc/58/88/07/636588807.db2.gz VTLJHDUGOODGQT-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC(C)(C)CC[NH+]1CCOCC1 ZINC000912951167 636715848 /nfs/dbraw/zinc/71/58/48/636715848.db2.gz GYKXHBSKHSNAHW-UHFFFAOYSA-N 2 2 294.399 0.580 20 0 CCADLP COC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000167843623 636979923 /nfs/dbraw/zinc/97/99/23/636979923.db2.gz 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O=C(CCc1c[nH+]c[nH]1)N1CCC[C@H]([NH2+]CCF)C1 ZINC000999325065 638974680 /nfs/dbraw/zinc/97/46/80/638974680.db2.gz ZTQWXLHTOPJPJI-LBPRGKRZSA-N 2 2 268.336 0.892 20 0 CCADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000999541361 638984852 /nfs/dbraw/zinc/98/48/52/638984852.db2.gz GUAVGSKRKHDXPF-QWHCGFSZSA-N 2 2 292.383 0.018 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N(C)C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC000925345126 638995848 /nfs/dbraw/zinc/99/58/48/638995848.db2.gz OYVGRVNXJDWKRD-JHJVBQTASA-N 2 2 284.404 0.051 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N(C)C[C@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC000925345126 638995853 /nfs/dbraw/zinc/99/58/53/638995853.db2.gz OYVGRVNXJDWKRD-JHJVBQTASA-N 2 2 284.404 0.051 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N(C)C[C@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC000925345126 638995857 /nfs/dbraw/zinc/99/58/57/638995857.db2.gz OYVGRVNXJDWKRD-JHJVBQTASA-N 2 2 284.404 0.051 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N(C)C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC000925345126 638995861 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Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H]1CC[N@@H+](CCO)C1)C2 ZINC001015013287 650514891 /nfs/dbraw/zinc/51/48/91/650514891.db2.gz JKWUYBHIKKDBIC-NWDGAFQWSA-N 2 2 292.383 0.006 20 0 CCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H]1CC[N@H+](CCO)C1)CC2 ZINC001015013287 650514895 /nfs/dbraw/zinc/51/48/95/650514895.db2.gz JKWUYBHIKKDBIC-NWDGAFQWSA-N 2 2 292.383 0.006 20 0 CCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCO)C1)CC2 ZINC001015013287 650514899 /nfs/dbraw/zinc/51/48/99/650514899.db2.gz JKWUYBHIKKDBIC-NWDGAFQWSA-N 2 2 292.383 0.006 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCC1([NH+](C)C)CC1 ZINC000922998057 639996761 /nfs/dbraw/zinc/99/67/61/639996761.db2.gz GZKXEFDATMOJLB-CYBMUJFWSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CC[NH+]1C ZINC000923201917 640052062 /nfs/dbraw/zinc/05/20/62/640052062.db2.gz WAMLORLJMSDWSH-KBPBESRZSA-N 3 2 299.463 0.262 20 0 CCADLP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000923201917 640052064 /nfs/dbraw/zinc/05/20/64/640052064.db2.gz WAMLORLJMSDWSH-KBPBESRZSA-N 3 2 299.463 0.262 20 0 CCADLP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CC[N@H+]1C ZINC000923201917 640052067 /nfs/dbraw/zinc/05/20/67/640052067.db2.gz WAMLORLJMSDWSH-KBPBESRZSA-N 3 2 299.463 0.262 20 0 CCADLP [NH3+]C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COC1CCOCC1 ZINC000923279474 640067891 /nfs/dbraw/zinc/06/78/91/640067891.db2.gz BSDHUOQICDFGFB-QWHCGFSZSA-N 2 2 272.389 0.356 20 0 CCADLP [NH3+]C[C@@H]1CCCC[N@H+]1C[C@@H](O)COC1CCOCC1 ZINC000923279474 640067895 /nfs/dbraw/zinc/06/78/95/640067895.db2.gz BSDHUOQICDFGFB-QWHCGFSZSA-N 2 2 272.389 0.356 20 0 CCADLP O=C(NC1CC1)[C@H]1CCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000923305862 640078275 /nfs/dbraw/zinc/07/82/75/640078275.db2.gz OYCSHGZVPSVBFH-CYBMUJFWSA-N 2 2 251.374 0.872 20 0 CCADLP O=C(NC1CC1)[C@H]1CCC[N@H+]1CCC[NH2+]C1CC1 ZINC000923305862 640078286 /nfs/dbraw/zinc/07/82/86/640078286.db2.gz OYCSHGZVPSVBFH-CYBMUJFWSA-N 2 2 251.374 0.872 20 0 CCADLP Cc1nc([C@@H]2CCC[N@@H+]2C[C@H]2CC3(C[NH2+]C3)CO2)no1 ZINC000923313162 640078622 /nfs/dbraw/zinc/07/86/22/640078622.db2.gz WNFDUZHGUOAJDB-NEPJUHHUSA-N 2 2 278.356 0.893 20 0 CCADLP Cc1nc([C@@H]2CCC[N@H+]2C[C@H]2CC3(C[NH2+]C3)CO2)no1 ZINC000923313162 640078625 /nfs/dbraw/zinc/07/86/25/640078625.db2.gz WNFDUZHGUOAJDB-NEPJUHHUSA-N 2 2 278.356 0.893 20 0 CCADLP FC(F)(F)CN1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923318158 640080002 /nfs/dbraw/zinc/08/00/02/640080002.db2.gz FEFQNLJZYSOTSF-LLVKDONJSA-N 2 2 293.333 0.545 20 0 CCADLP Cc1ccc([C@@H](O)C[NH2+]C[C@@H](O)C[NH+](C)C)cc1 ZINC000843060856 640361294 /nfs/dbraw/zinc/36/12/94/640361294.db2.gz CYJIQSWYEYJFGO-KGLIPLIRSA-N 2 2 252.358 0.541 20 0 CCADLP O=C(N[C@H]1CC[N@@H+](CCCO)C1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001015692267 650610629 /nfs/dbraw/zinc/61/06/29/650610629.db2.gz ZNNWIFZZNLEAMN-RYUDHWBXSA-N 2 2 292.383 0.403 20 0 CCADLP O=C(N[C@H]1CC[N@H+](CCCO)C1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001015692267 650610631 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Cn1c[nH+]cc1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000822997302 641726207 /nfs/dbraw/zinc/72/62/07/641726207.db2.gz IZLHXTZAJLCKMB-UHFFFAOYSA-N 2 2 280.372 0.395 20 0 CCADLP O=C(NCCCCn1cc[nH+]c1)[C@@]1(F)CC[NH2+]C1 ZINC000827510261 642011162 /nfs/dbraw/zinc/01/11/62/642011162.db2.gz ZISMXOXCYSPRAX-GFCCVEGCSA-N 2 2 254.309 0.481 20 0 CCADLP CC(C)[C@H]1CN(C(=O)c2n[nH]c3c2C[NH2+]CC3)CC[NH2+]1 ZINC000831593758 642377234 /nfs/dbraw/zinc/37/72/34/642377234.db2.gz OXVUVVNLGNSGAX-GFCCVEGCSA-N 2 2 277.372 0.125 20 0 CCADLP C[C@H](O)C[NH+]1CCC2(C[C@@H]2NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001016849821 650765981 /nfs/dbraw/zinc/76/59/81/650765981.db2.gz FUHGAKDBIXSIQC-AAEUAGOBSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC12CC[NH+](CCCO)CC2 ZINC001016902502 650770186 /nfs/dbraw/zinc/77/01/86/650770186.db2.gz JBRQQRJBSRTNLP-LBPRGKRZSA-N 2 2 292.383 0.305 20 0 CCADLP O[C@H](C[NH2+]C[C@@H](O)c1ccc(F)cn1)C[NH+]1CCCCC1 ZINC000843061445 642983316 /nfs/dbraw/zinc/98/33/16/642983316.db2.gz GSTNSHOHMCUNAA-UKRRQHHQSA-N 2 2 297.374 0.691 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CCCCCCO)C1 ZINC000843369099 643039663 /nfs/dbraw/zinc/03/96/63/643039663.db2.gz CMCJEWYURZTYOK-CQSZACIVSA-N 2 2 283.416 0.435 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CCCCCCO)C1 ZINC000843369099 643039666 /nfs/dbraw/zinc/03/96/66/643039666.db2.gz CMCJEWYURZTYOK-CQSZACIVSA-N 2 2 283.416 0.435 20 0 CCADLP CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001017657004 650816273 /nfs/dbraw/zinc/81/62/73/650816273.db2.gz WFKSFMJQRRXEGG-YIYPIFLZSA-N 2 2 281.400 0.401 20 0 CCADLP CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001017657004 650816275 /nfs/dbraw/zinc/81/62/75/650816275.db2.gz WFKSFMJQRRXEGG-YIYPIFLZSA-N 2 2 281.400 0.401 20 0 CCADLP CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001017657004 650816277 /nfs/dbraw/zinc/81/62/77/650816277.db2.gz WFKSFMJQRRXEGG-YIYPIFLZSA-N 2 2 281.400 0.401 20 0 CCADLP CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001017657004 650816279 /nfs/dbraw/zinc/81/62/79/650816279.db2.gz WFKSFMJQRRXEGG-YIYPIFLZSA-N 2 2 281.400 0.401 20 0 CCADLP O=C(CO[C@@H]1CCC[NH2+]C1)NCCCCn1cc[nH+]c1 ZINC000844175546 643172185 /nfs/dbraw/zinc/17/21/85/643172185.db2.gz JGYLJLJUJVAXFM-CYBMUJFWSA-N 2 2 280.372 0.548 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)CCO1 ZINC000846834501 643461525 /nfs/dbraw/zinc/46/15/25/643461525.db2.gz BXPBVBNEFSTQNM-CHWSQXEVSA-N 2 2 292.383 0.457 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)CCO1 ZINC000846834501 643461530 /nfs/dbraw/zinc/46/15/30/643461530.db2.gz BXPBVBNEFSTQNM-CHWSQXEVSA-N 2 2 292.383 0.457 20 0 CCADLP O=C1O[C@H](C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)CN1C1CC1 ZINC000846876531 643464955 /nfs/dbraw/zinc/46/49/55/643464955.db2.gz WARASFHUBZAAQI-GFCCVEGCSA-N 2 2 291.355 0.515 20 0 CCADLP CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001018286117 650852040 /nfs/dbraw/zinc/85/20/40/650852040.db2.gz PVUXEKNVZOPTJS-ZNMIVQPWSA-N 2 2 295.427 0.792 20 0 CCADLP CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001018286117 650852042 /nfs/dbraw/zinc/85/20/42/650852042.db2.gz PVUXEKNVZOPTJS-ZNMIVQPWSA-N 2 2 295.427 0.792 20 0 CCADLP CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001018286117 650852045 /nfs/dbraw/zinc/85/20/45/650852045.db2.gz PVUXEKNVZOPTJS-ZNMIVQPWSA-N 2 2 295.427 0.792 20 0 CCADLP CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001018286117 650852047 /nfs/dbraw/zinc/85/20/47/650852047.db2.gz PVUXEKNVZOPTJS-ZNMIVQPWSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)[C@H]1CCC[NH2+]1 ZINC000848723010 643671478 /nfs/dbraw/zinc/67/14/78/643671478.db2.gz ZWJOCEAFYZERCN-YUSALJHKSA-N 2 2 253.346 0.700 20 0 CCADLP [NH2+]=C(NCC1([NH+]2CCOCC2)CCOCC1)NC1CC1 ZINC000849040304 643706147 /nfs/dbraw/zinc/70/61/47/643706147.db2.gz RWMAIYXFSRPLSV-UHFFFAOYSA-N 2 2 282.388 0.144 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H](CO)Cc1ccccc1 ZINC000852289517 643948985 /nfs/dbraw/zinc/94/89/85/643948985.db2.gz TVFDQYSKMLUSQY-DLBZAZTESA-N 2 2 292.423 0.979 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@H](CO)Cc1ccccc1 ZINC000852289517 643948993 /nfs/dbraw/zinc/94/89/93/643948993.db2.gz TVFDQYSKMLUSQY-DLBZAZTESA-N 2 2 292.423 0.979 20 0 CCADLP [NH3+]C[C@H]1CC(C(=O)NCc2ccccc2-n2cc[nH+]c2)=NO1 ZINC000852884240 644042225 /nfs/dbraw/zinc/04/22/25/644042225.db2.gz WCCMIEVJOVGULM-GFCCVEGCSA-N 2 2 299.334 0.592 20 0 CCADLP COc1ncc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cn1 ZINC000855415354 644317223 /nfs/dbraw/zinc/31/72/23/644317223.db2.gz WAUYRGSQVLEPAA-UHFFFAOYSA-N 2 2 295.387 0.099 20 0 CCADLP COc1ncc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000855415354 644317227 /nfs/dbraw/zinc/31/72/27/644317227.db2.gz WAUYRGSQVLEPAA-UHFFFAOYSA-N 2 2 295.387 0.099 20 0 CCADLP NC(=O)COc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000857229806 644485053 /nfs/dbraw/zinc/48/50/53/644485053.db2.gz HOKFTHDWRVOKKU-CZUORRHYSA-N 2 2 289.379 0.864 20 0 CCADLP NC(=O)COc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000857229806 644485058 /nfs/dbraw/zinc/48/50/58/644485058.db2.gz HOKFTHDWRVOKKU-CZUORRHYSA-N 2 2 289.379 0.864 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001019039952 650932756 /nfs/dbraw/zinc/93/27/56/650932756.db2.gz ATKMHMKQGGHDRJ-PWSUYJOCSA-N 2 2 288.351 0.748 20 0 CCADLP C[C@@](O)(C[C@@H](O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)C1CC1 ZINC000863970045 645152425 /nfs/dbraw/zinc/15/24/25/645152425.db2.gz NLLALPJMDCQYDR-UKRRQHHQSA-N 2 2 294.399 0.444 20 0 CCADLP O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000865576598 645383219 /nfs/dbraw/zinc/38/32/19/645383219.db2.gz QJIZSYCYPXMUIL-AAEUAGOBSA-N 2 2 278.356 0.530 20 0 CCADLP C[NH+](C)CCCCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865798607 645421320 /nfs/dbraw/zinc/42/13/20/645421320.db2.gz ZBTZPRQHZPHXEE-WAYWQWQTSA-N 2 2 269.389 0.333 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000866045125 645470307 /nfs/dbraw/zinc/47/03/07/645470307.db2.gz UEYHMKKICLWZNX-YUSALJHKSA-N 2 2 266.345 0.242 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000866045125 645470315 /nfs/dbraw/zinc/47/03/15/645470315.db2.gz UEYHMKKICLWZNX-YUSALJHKSA-N 2 2 266.345 0.242 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)nc[nH+]1 ZINC000866206510 645505622 /nfs/dbraw/zinc/50/56/22/645505622.db2.gz RZVPKCOAVNYVQI-RWMBFGLXSA-N 2 2 291.399 0.800 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)nc[nH+]1 ZINC000866206510 645505625 /nfs/dbraw/zinc/50/56/25/645505625.db2.gz RZVPKCOAVNYVQI-RWMBFGLXSA-N 2 2 291.399 0.800 20 0 CCADLP C[C@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC[N@@H+](C2CCC2)C1 ZINC000868528356 645781706 /nfs/dbraw/zinc/78/17/06/645781706.db2.gz CPJWZNLFJKCZDZ-BXUZGUMPSA-N 2 2 292.383 0.776 20 0 CCADLP C[C@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC[N@H+](C2CCC2)C1 ZINC000868528356 645781713 /nfs/dbraw/zinc/78/17/13/645781713.db2.gz CPJWZNLFJKCZDZ-BXUZGUMPSA-N 2 2 292.383 0.776 20 0 CCADLP C[C@H]1C[N@H+](CCN2C[C@@H]3C[NH2+]C[C@]3(C)C2)CCO1 ZINC000872153792 646214972 /nfs/dbraw/zinc/21/49/72/646214972.db2.gz GJYNBVPIKNYWMI-MELADBBJSA-N 2 2 253.390 0.248 20 0 CCADLP C[C@H]1C[N@@H+](CCN2C[C@@H]3C[NH2+]C[C@]3(C)C2)CCO1 ZINC000872153792 646214975 /nfs/dbraw/zinc/21/49/75/646214975.db2.gz GJYNBVPIKNYWMI-MELADBBJSA-N 2 2 253.390 0.248 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccnc(-n2cncn2)c1 ZINC000873238414 646364596 /nfs/dbraw/zinc/36/45/96/646364596.db2.gz YNAGHJZHDCRTKN-WCQYABFASA-N 2 2 272.356 0.750 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873262495 646367081 /nfs/dbraw/zinc/36/70/81/646367081.db2.gz ZHJRJMYDIKWFLW-RMEBNNNOSA-N 3 2 267.417 0.874 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCC[C@@H]1CCOC1=O ZINC000873283531 646370822 /nfs/dbraw/zinc/37/08/22/646370822.db2.gz VZSQTSCOJZHPSI-JHJVBQTASA-N 2 2 270.373 0.686 20 0 CCADLP O=S(=O)(C1C[NH2+]C1)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000923639183 646531471 /nfs/dbraw/zinc/53/14/71/646531471.db2.gz GWGBQHGUVTXALA-CYBMUJFWSA-N 2 2 299.371 0.074 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000876305103 646595649 /nfs/dbraw/zinc/59/56/49/646595649.db2.gz BKJJUSOMXNBHHD-LBPRGKRZSA-N 2 2 295.387 0.066 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000876305103 646595653 /nfs/dbraw/zinc/59/56/53/646595653.db2.gz BKJJUSOMXNBHHD-LBPRGKRZSA-N 2 2 295.387 0.066 20 0 CCADLP [NH3+][C@@H](CNC(=O)/C=C/C[NH+]1CCOCC1)c1ccccc1 ZINC000876524018 646618365 /nfs/dbraw/zinc/61/83/65/646618365.db2.gz IVLRGLQOCXWEBN-SZTZYQKNSA-N 2 2 289.379 0.691 20 0 CCADLP [NH3+]C[C@@H]1[C@H](C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1(F)F ZINC000876731415 646652313 /nfs/dbraw/zinc/65/23/13/646652313.db2.gz QQBZPRSBYPTNQF-OPRDCNLKSA-N 2 2 284.310 0.956 20 0 CCADLP [NH3+]C[C@@H]1[C@H](C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1(F)F ZINC000876731412 646652424 /nfs/dbraw/zinc/65/24/24/646652424.db2.gz QQBZPRSBYPTNQF-IVZWLZJFSA-N 2 2 284.310 0.956 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)CCO1 ZINC000876745384 646655599 /nfs/dbraw/zinc/65/55/99/646655599.db2.gz DAMZGLBGJBBZAX-GRYCIOLGSA-N 2 2 269.389 0.197 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)CCO1 ZINC000876745384 646655604 /nfs/dbraw/zinc/65/56/04/646655604.db2.gz DAMZGLBGJBBZAX-GRYCIOLGSA-N 2 2 269.389 0.197 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876781699 646662829 /nfs/dbraw/zinc/66/28/29/646662829.db2.gz ITFIWHFAGUIINH-UPJWGTAASA-N 2 2 282.432 0.112 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876830991 646676817 /nfs/dbraw/zinc/67/68/17/646676817.db2.gz BXCNWHVMOFFRCC-CDBNLRSOSA-N 2 2 267.373 0.132 20 0 CCADLP Cc1cnc(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)o1 ZINC000877022916 646717263 /nfs/dbraw/zinc/71/72/63/646717263.db2.gz XHRGUWHEWYUUJN-LLVKDONJSA-N 2 2 252.362 0.709 20 0 CCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)C[NH3+])C2)c1 ZINC000877248664 646768014 /nfs/dbraw/zinc/76/80/14/646768014.db2.gz PUUHCAAXWASOLZ-CQSZACIVSA-N 2 2 277.368 0.271 20 0 CCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)C[NH3+])C2)c1 ZINC000877248664 646768019 /nfs/dbraw/zinc/76/80/19/646768019.db2.gz PUUHCAAXWASOLZ-CQSZACIVSA-N 2 2 277.368 0.271 20 0 CCADLP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000877665501 646833640 /nfs/dbraw/zinc/83/36/40/646833640.db2.gz XOSDFQVKZFEBEY-RDBSUJKOSA-N 2 2 297.443 0.869 20 0 CCADLP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000877665501 646833644 /nfs/dbraw/zinc/83/36/44/646833644.db2.gz XOSDFQVKZFEBEY-RDBSUJKOSA-N 2 2 297.443 0.869 20 0 CCADLP CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000877964808 646854237 /nfs/dbraw/zinc/85/42/37/646854237.db2.gz UCXYJHKNHFNZQE-GXTWGEPZSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000877964808 646854238 /nfs/dbraw/zinc/85/42/38/646854238.db2.gz UCXYJHKNHFNZQE-GXTWGEPZSA-N 2 2 283.416 0.696 20 0 CCADLP O=C1NCC[C@@H]1CC[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880206625 647170531 /nfs/dbraw/zinc/17/05/31/647170531.db2.gz HXXCYVXASMIUQW-HIFRSBDPSA-N 2 2 295.427 0.746 20 0 CCADLP O=C1NCC[C@@H]1CC[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880206625 647170534 /nfs/dbraw/zinc/17/05/34/647170534.db2.gz HXXCYVXASMIUQW-HIFRSBDPSA-N 2 2 295.427 0.746 20 0 CCADLP C[C@H](O)CC[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880254363 647174868 /nfs/dbraw/zinc/17/48/68/647174868.db2.gz UHWFTTRKIWNDKK-ZDUSSCGKSA-N 2 2 283.416 0.563 20 0 CCADLP O=C1NCC[C@H]2CCC[N@H+](CCCn3cc[nH+]c3)[C@H]12 ZINC000880531739 647223960 /nfs/dbraw/zinc/22/39/60/647223960.db2.gz YZVNCBWGDVSJFO-OLZOCXBDSA-N 2 2 262.357 0.874 20 0 CCADLP O=C1NCC[C@H]2CCC[N@@H+](CCCn3cc[nH+]c3)[C@H]12 ZINC000880531739 647223966 /nfs/dbraw/zinc/22/39/66/647223966.db2.gz YZVNCBWGDVSJFO-OLZOCXBDSA-N 2 2 262.357 0.874 20 0 CCADLP Nc1cnccc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000882984962 647472198 /nfs/dbraw/zinc/47/21/98/647472198.db2.gz AKYGGNKOXVHBIO-QWHCGFSZSA-N 2 2 262.357 0.617 20 0 CCADLP Nc1cnccc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000882984962 647472201 /nfs/dbraw/zinc/47/22/01/647472201.db2.gz AKYGGNKOXVHBIO-QWHCGFSZSA-N 2 2 262.357 0.617 20 0 CCADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CC(=O)N(C)C ZINC000887131368 648072475 /nfs/dbraw/zinc/07/24/75/648072475.db2.gz WHEAEOFUIBUCIU-GFCCVEGCSA-N 2 2 262.357 0.680 20 0 CCADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC(=O)N(C)C ZINC000887131368 648072478 /nfs/dbraw/zinc/07/24/78/648072478.db2.gz WHEAEOFUIBUCIU-GFCCVEGCSA-N 2 2 262.357 0.680 20 0 CCADLP [NH3+][C@H]1CCCN(Cc2cn(CCn3cc[nH+]c3)nn2)C1 ZINC000887447165 648109061 /nfs/dbraw/zinc/10/90/61/648109061.db2.gz VCFBJTHHHICIFP-LBPRGKRZSA-N 2 2 275.360 0.098 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NC[C@@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1C ZINC000925339178 648419488 /nfs/dbraw/zinc/41/94/88/648419488.db2.gz SHZYKHCCBNTDQS-JHJVBQTASA-N 2 2 291.399 0.837 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NC[C@@H]2CCn3cc[nH+]c3C2)CC[N@H+]1C ZINC000925339178 648419492 /nfs/dbraw/zinc/41/94/92/648419492.db2.gz SHZYKHCCBNTDQS-JHJVBQTASA-N 2 2 291.399 0.837 20 0 CCADLP Cc1cc(C)n(CCC[NH2+][C@H]2C[NH2+]CCOC2)n1 ZINC000925509707 648439924 /nfs/dbraw/zinc/43/99/24/648439924.db2.gz OHTGGFKFMGKEHT-ZDUSSCGKSA-N 2 2 252.362 0.468 20 0 CCADLP c1ncn(-c2cc(C[NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)ccn2)n1 ZINC000925727116 648457500 /nfs/dbraw/zinc/45/75/00/648457500.db2.gz YMNAFJNZBLPXNQ-XNHWPECASA-N 2 2 296.378 0.748 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925842286 648465086 /nfs/dbraw/zinc/46/50/86/648465086.db2.gz LDOBCPMUQRIQMG-ZIAGYGMSSA-N 3 2 254.422 0.531 20 0 CCADLP O=C1C[C@H](C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CN1 ZINC000926577089 648511161 /nfs/dbraw/zinc/51/11/61/648511161.db2.gz SNUWNAQCMXFKSW-FRRDWIJNSA-N 2 2 251.374 0.729 20 0 CCADLP O=C1C[C@H](C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CN1 ZINC000926577089 648511163 /nfs/dbraw/zinc/51/11/63/648511163.db2.gz SNUWNAQCMXFKSW-FRRDWIJNSA-N 2 2 251.374 0.729 20 0 CCADLP Cc1[nH]c(CN2CC[NH+](C[C@@H](C)O)CC2)c(C)[nH+]1 ZINC000929507341 648747083 /nfs/dbraw/zinc/74/70/83/648747083.db2.gz HMRARGBPHLRPNP-SNVBAGLBSA-N 2 2 252.362 0.525 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@H]1CS(N)(=O)=O ZINC000931228461 648967656 /nfs/dbraw/zinc/96/76/56/648967656.db2.gz CAASOVIMUCMIQJ-LBPRGKRZSA-N 2 2 286.401 0.335 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@H]1CS(N)(=O)=O ZINC000931228461 648967659 /nfs/dbraw/zinc/96/76/59/648967659.db2.gz CAASOVIMUCMIQJ-LBPRGKRZSA-N 2 2 286.401 0.335 20 0 CCADLP OCCOCC[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931286286 648975290 /nfs/dbraw/zinc/97/52/90/648975290.db2.gz WSCPXXRYPMJNGR-UHFFFAOYSA-N 2 2 272.389 0.182 20 0 CCADLP OCCOCC[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931286286 648975294 /nfs/dbraw/zinc/97/52/94/648975294.db2.gz WSCPXXRYPMJNGR-UHFFFAOYSA-N 2 2 272.389 0.182 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931440166 648989093 /nfs/dbraw/zinc/98/90/93/648989093.db2.gz HDQTWALHMIOQFQ-FRRDWIJNSA-N 2 2 289.383 0.687 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931440166 648989094 /nfs/dbraw/zinc/98/90/94/648989094.db2.gz HDQTWALHMIOQFQ-FRRDWIJNSA-N 2 2 289.383 0.687 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931440166 648989095 /nfs/dbraw/zinc/98/90/95/648989095.db2.gz HDQTWALHMIOQFQ-FRRDWIJNSA-N 2 2 289.383 0.687 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931440166 648989097 /nfs/dbraw/zinc/98/90/97/648989097.db2.gz HDQTWALHMIOQFQ-FRRDWIJNSA-N 2 2 289.383 0.687 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1CCc2[nH+]ccc(N)c2C1 ZINC000931517893 649000479 /nfs/dbraw/zinc/00/04/79/649000479.db2.gz GNZNIYVWDDPMBQ-GFCCVEGCSA-N 2 2 276.384 0.743 20 0 CCADLP OC[C@@H](O)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000931707044 649020664 /nfs/dbraw/zinc/02/06/64/649020664.db2.gz LZUJHWDISKAPHH-KBPBESRZSA-N 2 2 261.325 0.567 20 0 CCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H](O)COC[C@H]1CCCO1 ZINC000931728127 649023463 /nfs/dbraw/zinc/02/34/63/649023463.db2.gz NEDDHGLUSMPNKC-ZJIFWQFVSA-N 2 2 298.427 0.711 20 0 CCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H](O)COC[C@H]1CCCO1 ZINC000931728127 649023467 /nfs/dbraw/zinc/02/34/67/649023467.db2.gz NEDDHGLUSMPNKC-ZJIFWQFVSA-N 2 2 298.427 0.711 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H](O)COC[C@H]1CCCO1 ZINC000931728127 649023470 /nfs/dbraw/zinc/02/34/70/649023470.db2.gz NEDDHGLUSMPNKC-ZJIFWQFVSA-N 2 2 298.427 0.711 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H](O)COC[C@H]1CCCO1 ZINC000931728127 649023475 /nfs/dbraw/zinc/02/34/75/649023475.db2.gz NEDDHGLUSMPNKC-ZJIFWQFVSA-N 2 2 298.427 0.711 20 0 CCADLP C[C@H]1C[NH+](CCN2CCN(C)CC[N@H+](C)CC2)C[C@H](C)O1 ZINC000933990894 649151723 /nfs/dbraw/zinc/15/17/23/649151723.db2.gz TZCNZWMXDJYDCN-HOTGVXAUSA-N 2 2 298.475 0.275 20 0 CCADLP C[C@H]1C[NH+](CCN2CCN(C)CC[N@@H+](C)CC2)C[C@H](C)O1 ZINC000933990894 649151725 /nfs/dbraw/zinc/15/17/25/649151725.db2.gz TZCNZWMXDJYDCN-HOTGVXAUSA-N 2 2 298.475 0.275 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CCF ZINC000948090965 649363254 /nfs/dbraw/zinc/36/32/54/649363254.db2.gz RCBBJVSWMYYUFW-RYUDHWBXSA-N 2 2 268.336 0.822 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CCF ZINC000948090965 649363257 /nfs/dbraw/zinc/36/32/57/649363257.db2.gz RCBBJVSWMYYUFW-RYUDHWBXSA-N 2 2 268.336 0.822 20 0 CCADLP COCC[NH2+]CC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000092495231 649724420 /nfs/dbraw/zinc/72/44/20/649724420.db2.gz JSNZWIFGOSAZFI-LBPRGKRZSA-N 2 2 282.388 0.650 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000957900405 649768843 /nfs/dbraw/zinc/76/88/43/649768843.db2.gz VOTDTJRKTUFHPW-AWEZNQCLSA-N 2 2 292.383 0.454 20 0 CCADLP C[NH2+]CCN(C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000417915638 649843904 /nfs/dbraw/zinc/84/39/04/649843904.db2.gz CKVMLIGDRSKGNN-GFCCVEGCSA-N 2 2 277.372 0.521 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001230348128 805594829 /nfs/dbraw/zinc/59/48/29/805594829.db2.gz VLEPGVAQEWYJHO-BFHYXJOUSA-N 2 2 294.399 0.935 20 0 CCADLP C[N@@H+]1CCC[C@H](C[NH+]2CCO[C@@H]3C[C@H](CO)C[C@H]32)C1 ZINC001208608930 790428833 /nfs/dbraw/zinc/42/88/33/790428833.db2.gz XMFRHKJLIFSIQD-GBJTYRQASA-N 2 2 268.401 0.800 20 0 CCADLP C[N@H+]1CCC[C@H](C[NH+]2CCO[C@@H]3C[C@H](CO)C[C@H]32)C1 ZINC001208608930 790428838 /nfs/dbraw/zinc/42/88/38/790428838.db2.gz XMFRHKJLIFSIQD-GBJTYRQASA-N 2 2 268.401 0.800 20 0 CCADLP C[NH+]1CCC[C@H](C[N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@H]32)C1 ZINC001208608930 790428846 /nfs/dbraw/zinc/42/88/46/790428846.db2.gz XMFRHKJLIFSIQD-GBJTYRQASA-N 2 2 268.401 0.800 20 0 CCADLP C[NH+]1CCC[C@H](C[N@H+]2CCO[C@@H]3C[C@H](CO)C[C@H]32)C1 ZINC001208608930 790428850 /nfs/dbraw/zinc/42/88/50/790428850.db2.gz XMFRHKJLIFSIQD-GBJTYRQASA-N 2 2 268.401 0.800 20 0 CCADLP CCOCC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001266334163 790530271 /nfs/dbraw/zinc/53/02/71/790530271.db2.gz ZNZFQIBOZOANQR-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP CCOCC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001266334163 790530282 /nfs/dbraw/zinc/53/02/82/790530282.db2.gz ZNZFQIBOZOANQR-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP COC(=O)c1c[nH]c2nc(N[C@H]3CC[N@H+](C)C3)[nH+]cc12 ZINC001167270266 790767522 /nfs/dbraw/zinc/76/75/22/790767522.db2.gz QZAGBHWRIVWTCE-QMMMGPOBSA-N 2 2 275.312 0.812 20 0 CCADLP COC(=O)c1c[nH]c2nc(N[C@H]3CC[N@@H+](C)C3)[nH+]cc12 ZINC001167270266 790767532 /nfs/dbraw/zinc/76/75/32/790767532.db2.gz QZAGBHWRIVWTCE-QMMMGPOBSA-N 2 2 275.312 0.812 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC000970577096 790878762 /nfs/dbraw/zinc/87/87/62/790878762.db2.gz MFAAFTGZYOYHEK-QWHCGFSZSA-N 2 2 292.383 0.488 20 0 CCADLP Cc1cc(C[NH+]2CC3(CN(CC[NH+](C)C)C3)C2)on1 ZINC001277606797 805895229 /nfs/dbraw/zinc/89/52/29/805895229.db2.gz HPAWNHJDTPNJGY-UHFFFAOYSA-N 2 2 264.373 0.662 20 0 CCADLP CN(C)C(=O)CN1CC[C@H]2[C@@H]1CC[N@@H+]2C1CC[NH+](C)CC1 ZINC001277624705 805905005 /nfs/dbraw/zinc/90/50/05/805905005.db2.gz HGZGKWREGGFVPS-GJZGRUSLSA-N 2 2 294.443 0.317 20 0 CCADLP CN(C)C(=O)CN1CC[C@H]2[C@@H]1CC[N@H+]2C1CC[NH+](C)CC1 ZINC001277624705 805905010 /nfs/dbraw/zinc/90/50/10/805905010.db2.gz HGZGKWREGGFVPS-GJZGRUSLSA-N 2 2 294.443 0.317 20 0 CCADLP CN(C)C(=O)CN1C[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001277624417 805905875 /nfs/dbraw/zinc/90/58/75/805905875.db2.gz CDHGACJMFPUYTB-DZGCQCFKSA-N 2 2 294.443 0.175 20 0 CCADLP CN(C)C(=O)CN1C[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001277624417 805905881 /nfs/dbraw/zinc/90/58/81/805905881.db2.gz CDHGACJMFPUYTB-DZGCQCFKSA-N 2 2 294.443 0.175 20 0 CCADLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(N)nc1 ZINC001232369090 805930875 /nfs/dbraw/zinc/93/08/75/805930875.db2.gz PCQLOKVRDNCDDB-UHFFFAOYSA-N 2 2 263.389 0.343 20 0 CCADLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc(N)nc1 ZINC001232369090 805930883 /nfs/dbraw/zinc/93/08/83/805930883.db2.gz PCQLOKVRDNCDDB-UHFFFAOYSA-N 2 2 263.389 0.343 20 0 CCADLP Cc1nc(C)c(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)o1 ZINC000257691181 791211125 /nfs/dbraw/zinc/21/11/25/791211125.db2.gz JEXYTAVOLPIDEA-ZDUSSCGKSA-N 2 2 264.373 0.771 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CCF ZINC001266951045 791385656 /nfs/dbraw/zinc/38/56/56/791385656.db2.gz ZENLOGSPHXHNDS-GHMZBOCLSA-N 2 2 268.336 0.509 20 0 CCADLP CO[C@@H](C)C[NH2+]CC1(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001167528794 791510696 /nfs/dbraw/zinc/51/06/96/791510696.db2.gz KRPLODJEGDKXDH-LBPRGKRZSA-N 2 2 294.399 0.863 20 0 CCADLP Cc1[nH+]c[nH]c1CN1CC([N@@H+](C)[C@H]2CCOC2)C1 ZINC001204590928 791588244 /nfs/dbraw/zinc/58/82/44/791588244.db2.gz UXKFHOBBCDRTNH-NSHDSACASA-N 2 2 250.346 0.623 20 0 CCADLP Cc1[nH+]c[nH]c1CN1CC([N@H+](C)[C@H]2CCOC2)C1 ZINC001204590928 791588252 /nfs/dbraw/zinc/58/82/52/791588252.db2.gz UXKFHOBBCDRTNH-NSHDSACASA-N 2 2 250.346 0.623 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH3+])C[C@H]1COc2ccccc2O1 ZINC000386625009 791614123 /nfs/dbraw/zinc/61/41/23/791614123.db2.gz OKBPGVRCFYPJMS-QWRGUYRKSA-N 2 2 252.314 0.078 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH3+])C[C@H]1COc2ccccc2O1 ZINC000386625009 791614128 /nfs/dbraw/zinc/61/41/28/791614128.db2.gz OKBPGVRCFYPJMS-QWRGUYRKSA-N 2 2 252.314 0.078 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](C[C@H](O)c2ccc(F)c(F)c2)C[C@H]1O ZINC001246026229 807124141 /nfs/dbraw/zinc/12/41/41/807124141.db2.gz ZTZHCZDCKXXBIY-TVYUQYBPSA-N 2 2 272.295 0.250 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](C[C@H](O)c2ccc(F)c(F)c2)C[C@H]1O ZINC001246026229 807124147 /nfs/dbraw/zinc/12/41/47/807124147.db2.gz ZTZHCZDCKXXBIY-TVYUQYBPSA-N 2 2 272.295 0.250 20 0 CCADLP Cc1[nH]c(CN2CC[NH+](CCCO)CC2)c(C)[nH+]1 ZINC001234600161 806282571 /nfs/dbraw/zinc/28/25/71/806282571.db2.gz CGBFXFHJHNCARV-UHFFFAOYSA-N 2 2 252.362 0.527 20 0 CCADLP COc1c(C)c[nH+]c(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)c1C ZINC001234995652 806339653 /nfs/dbraw/zinc/33/96/53/806339653.db2.gz YDYBGVMKHWOQQT-INIZCTEOSA-N 3 2 290.411 0.844 20 0 CCADLP COc1c(C)c[nH+]c(CN2CCNC[C@@]23CC[NH2+]C3)c1C ZINC001234995652 806339664 /nfs/dbraw/zinc/33/96/64/806339664.db2.gz YDYBGVMKHWOQQT-INIZCTEOSA-N 2 2 290.411 0.844 20 0 CCADLP c1nc2ccc(C[N@@H+]3CCN[C@]4(CC[NH2+]C4)C3)cc2o1 ZINC001235064969 806367598 /nfs/dbraw/zinc/36/75/98/806367598.db2.gz ZMZATQWLDVCRII-HNNXBMFYSA-N 2 2 272.352 0.965 20 0 CCADLP c1nc2ccc(C[N@H+]3CCN[C@]4(CC[NH2+]C4)C3)cc2o1 ZINC001235064969 806367606 /nfs/dbraw/zinc/36/76/06/806367606.db2.gz ZMZATQWLDVCRII-HNNXBMFYSA-N 2 2 272.352 0.965 20 0 CCADLP [NH3+][C@H]1NC(CN2CCCC[C@]23CC[NH2+]C3)=CS1 ZINC001235126048 806372738 /nfs/dbraw/zinc/37/27/38/806372738.db2.gz RGBOSKNEYZQABD-NWDGAFQWSA-N 2 2 254.403 0.625 20 0 CCADLP CC[C@@]1(C(=O)OC)C[C@H](NCC2([NH3+])CCCC2)C[NH2+]1 ZINC001246074406 807142258 /nfs/dbraw/zinc/14/22/58/807142258.db2.gz CWHMYILIRMDDTR-FZMZJTMJSA-N 2 2 269.389 0.531 20 0 CCADLP [NH3+]CC[N@H+]1C[C@H]2CN(C(=O)c3ccccc3)C[C@H]2C1 ZINC001235475262 806428792 /nfs/dbraw/zinc/42/87/92/806428792.db2.gz VHOZGRGDKSYGSD-OKILXGFUSA-N 2 2 259.353 0.649 20 0 CCADLP [NH3+]CC[N@@H+]1C[C@H]2CN(C(=O)c3ccccc3)C[C@H]2C1 ZINC001235475262 806428795 /nfs/dbraw/zinc/42/87/95/806428795.db2.gz VHOZGRGDKSYGSD-OKILXGFUSA-N 2 2 259.353 0.649 20 0 CCADLP Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@H+]3C[C@@H](C)[NH3+])n1 ZINC001235531910 806447486 /nfs/dbraw/zinc/44/74/86/806447486.db2.gz KNICBQIALUONOP-BYCMXARLSA-N 2 2 288.395 0.912 20 0 CCADLP Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3C[C@@H](C)[NH3+])n1 ZINC001235531910 806447490 /nfs/dbraw/zinc/44/74/90/806447490.db2.gz KNICBQIALUONOP-BYCMXARLSA-N 2 2 288.395 0.912 20 0 CCADLP C[C@H]([NH3+])C[NH+]1CCC2(C[C@@H](c3ccncc3)C(=O)N2)CC1 ZINC001235597262 806469208 /nfs/dbraw/zinc/46/92/08/806469208.db2.gz MQPYSXBBXOUHSO-JSGCOSHPSA-N 2 2 288.395 0.867 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+]1CC[C@@]2(C1)c1ccccc1N(C)C2=O ZINC001235633744 806479233 /nfs/dbraw/zinc/47/92/33/806479233.db2.gz YFCGNTIIWGIRJI-IAQYHMDHSA-N 2 2 259.353 0.954 20 0 CCADLP C[C@@H]([NH3+])C[N@H+]1CC[C@@]2(C1)c1ccccc1N(C)C2=O ZINC001235633744 806479237 /nfs/dbraw/zinc/47/92/37/806479237.db2.gz YFCGNTIIWGIRJI-IAQYHMDHSA-N 2 2 259.353 0.954 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@]2(CCN(c3cnn(C)c3)C2=O)C1 ZINC001235644814 806480683 /nfs/dbraw/zinc/48/06/83/806480683.db2.gz RLEFUBFNWRJUPI-WFASDCNBSA-N 2 2 291.399 0.586 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1CCC[C@]2(CCN(c3cnn(C)c3)C2=O)C1 ZINC001235644814 806480685 /nfs/dbraw/zinc/48/06/85/806480685.db2.gz RLEFUBFNWRJUPI-WFASDCNBSA-N 2 2 291.399 0.586 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@]2(CCN(c3cnn(C)c3)C2=O)C1 ZINC001235644811 806481704 /nfs/dbraw/zinc/48/17/04/806481704.db2.gz RLEFUBFNWRJUPI-DOMZBBRYSA-N 2 2 291.399 0.586 20 0 CCADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@]2(CCN(c3cnn(C)c3)C2=O)C1 ZINC001235644811 806481709 /nfs/dbraw/zinc/48/17/09/806481709.db2.gz RLEFUBFNWRJUPI-DOMZBBRYSA-N 2 2 291.399 0.586 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001277959785 806485373 /nfs/dbraw/zinc/48/53/73/806485373.db2.gz VKOZRUYKRXHTOI-UKRRQHHQSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@@H](O)C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001277959785 806485375 /nfs/dbraw/zinc/48/53/75/806485375.db2.gz VKOZRUYKRXHTOI-UKRRQHHQSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@@H](O)C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001277959785 806485378 /nfs/dbraw/zinc/48/53/78/806485378.db2.gz VKOZRUYKRXHTOI-UKRRQHHQSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@@H](O)C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001277959785 806485380 /nfs/dbraw/zinc/48/53/80/806485380.db2.gz VKOZRUYKRXHTOI-UKRRQHHQSA-N 2 2 283.416 0.243 20 0 CCADLP CCOc1ccnc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1 ZINC001236000166 806526789 /nfs/dbraw/zinc/52/67/89/806526789.db2.gz RQGXGUIJRRNVMX-ODOQXGPZSA-N 2 2 277.368 0.886 20 0 CCADLP CCOc1ccnc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1 ZINC001236000166 806526785 /nfs/dbraw/zinc/52/67/85/806526785.db2.gz RQGXGUIJRRNVMX-ODOQXGPZSA-N 2 2 277.368 0.886 20 0 CCADLP COC(=O)[C@H]1C[N@H+](C[C@@H]2CC[C@@H](C(=O)OC)CC2)C[C@@H]1[NH3+] ZINC001236340831 806572119 /nfs/dbraw/zinc/57/21/19/806572119.db2.gz JZJLYEZWTXSRFO-CYDGBPFRSA-N 2 2 298.383 0.398 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](C[C@@H]2CC[C@@H](C(=O)OC)CC2)C[C@@H]1[NH3+] ZINC001236340831 806572124 /nfs/dbraw/zinc/57/21/24/806572124.db2.gz JZJLYEZWTXSRFO-CYDGBPFRSA-N 2 2 298.383 0.398 20 0 CCADLP C[C@H](CO)C[N@@H+]1CC[C@H]2CN(CCn3cc[nH+]c3)C[C@H]21 ZINC001277998962 806604304 /nfs/dbraw/zinc/60/43/04/806604304.db2.gz VFZTWKGJDDLSCC-SOUVJXGZSA-N 2 2 278.400 0.518 20 0 CCADLP C[C@H](CO)C[N@H+]1CC[C@H]2CN(CCn3cc[nH+]c3)C[C@H]21 ZINC001277998962 806604309 /nfs/dbraw/zinc/60/43/09/806604309.db2.gz VFZTWKGJDDLSCC-SOUVJXGZSA-N 2 2 278.400 0.518 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)CC12CC2 ZINC001237206542 806647640 /nfs/dbraw/zinc/64/76/40/806647640.db2.gz WONXZNBOMWLAEA-QWRGUYRKSA-N 2 2 268.357 0.596 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)CC12CC2 ZINC001237206542 806647646 /nfs/dbraw/zinc/64/76/46/806647646.db2.gz WONXZNBOMWLAEA-QWRGUYRKSA-N 2 2 268.357 0.596 20 0 CCADLP CCOC(=O)N1CC[C@H]([NH2+][C@@H]2C[NH2+]CC23CC3)C1 ZINC001246128708 807161198 /nfs/dbraw/zinc/16/11/98/807161198.db2.gz FBUFKSDZNZVXIO-WDEREUQCSA-N 2 2 253.346 0.559 20 0 CCADLP Cc1nc(N[C@@H](C)CN(C)C(=O)CC[NH+](C)C)cc[nH+]1 ZINC001120644100 798900676 /nfs/dbraw/zinc/90/06/76/798900676.db2.gz VCIQJYXUNVIMLG-NSHDSACASA-N 2 2 279.388 0.996 20 0 CCADLP Nc1cc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)nc[nH+]1 ZINC001120895646 798957050 /nfs/dbraw/zinc/95/70/50/798957050.db2.gz GNYGQFFXXLYGEU-WDEREUQCSA-N 2 2 263.345 0.094 20 0 CCADLP CC[C@@H](C(=O)NC[C@H](CO)Nc1cc[nH+]c(C)n1)[NH+](C)C ZINC001121860076 799078645 /nfs/dbraw/zinc/07/86/45/799078645.db2.gz FHYUVTBIKLYWRU-NEPJUHHUSA-N 2 2 295.387 0.014 20 0 CCADLP C[N@@H+]1CCC[C@@H](C[NH+]2CC[C@H](C(N)=O)n3nccc3C2)C1 ZINC001278143774 806717009 /nfs/dbraw/zinc/71/70/09/806717009.db2.gz VEOPJELGHQMCNR-TZMCWYRMSA-N 2 2 291.399 0.457 20 0 CCADLP C[N@H+]1CCC[C@@H](C[NH+]2CC[C@H](C(N)=O)n3nccc3C2)C1 ZINC001278143774 806717014 /nfs/dbraw/zinc/71/70/14/806717014.db2.gz VEOPJELGHQMCNR-TZMCWYRMSA-N 2 2 291.399 0.457 20 0 CCADLP C[NH+]1CCC[C@@H](C[N@@H+]2CC[C@H](C(N)=O)n3nccc3C2)C1 ZINC001278143774 806717018 /nfs/dbraw/zinc/71/70/18/806717018.db2.gz VEOPJELGHQMCNR-TZMCWYRMSA-N 2 2 291.399 0.457 20 0 CCADLP C[NH+]1CCC[C@@H](C[N@H+]2CC[C@H](C(N)=O)n3nccc3C2)C1 ZINC001278143774 806717024 /nfs/dbraw/zinc/71/70/24/806717024.db2.gz VEOPJELGHQMCNR-TZMCWYRMSA-N 2 2 291.399 0.457 20 0 CCADLP C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCCCNc1cccc[nH+]1 ZINC001121991496 799116245 /nfs/dbraw/zinc/11/62/45/799116245.db2.gz SFXBNTCZDJORAI-NWDGAFQWSA-N 2 2 280.372 0.216 20 0 CCADLP O=C(NCC12CC(C1)C[NH2+]2)[C@H]1CCc2c[nH+]cn2C1 ZINC001122153578 799156210 /nfs/dbraw/zinc/15/62/10/799156210.db2.gz FWALNNFLXXXCCA-CVZZAPKMSA-N 2 2 260.341 0.314 20 0 CCADLP CC[N@@H+]1CCc2onc(C(=O)NC3CC[NH+](C)CC3)c2C1 ZINC001278159223 806729937 /nfs/dbraw/zinc/72/99/37/806729937.db2.gz JOSBBXXUDJHKSY-UHFFFAOYSA-N 2 2 292.383 0.877 20 0 CCADLP CC[N@H+]1CCc2onc(C(=O)NC3CC[NH+](C)CC3)c2C1 ZINC001278159223 806729944 /nfs/dbraw/zinc/72/99/44/806729944.db2.gz JOSBBXXUDJHKSY-UHFFFAOYSA-N 2 2 292.383 0.877 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001124877960 799640741 /nfs/dbraw/zinc/64/07/41/799640741.db2.gz JCAWINWZDRFMMX-GXSJLCMTSA-N 2 2 281.360 0.239 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001124877960 799640742 /nfs/dbraw/zinc/64/07/42/799640742.db2.gz JCAWINWZDRFMMX-GXSJLCMTSA-N 2 2 281.360 0.239 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001124867699 799641642 /nfs/dbraw/zinc/64/16/42/799641642.db2.gz YAQCMQWUFZTXHJ-KOLCDFICSA-N 2 2 281.360 0.239 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001124867699 799641645 /nfs/dbraw/zinc/64/16/45/799641645.db2.gz YAQCMQWUFZTXHJ-KOLCDFICSA-N 2 2 281.360 0.239 20 0 CCADLP C[NH+]1CCN(C2C[NH+](Cc3ccc4n[nH]cc4c3)C2)CC1 ZINC001140389398 799907937 /nfs/dbraw/zinc/90/79/37/799907937.db2.gz VNQXDVGVHMGBDY-UHFFFAOYSA-N 2 2 285.395 0.995 20 0 CCADLP [NH3+]CC[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1 ZINC001238838904 806812924 /nfs/dbraw/zinc/81/29/24/806812924.db2.gz NLQLCJSOPVTAOD-UHFFFAOYSA-N 2 2 277.777 0.167 20 0 CCADLP CO[C@@H](C)C[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149557736 800277058 /nfs/dbraw/zinc/27/70/58/800277058.db2.gz ALQVHACGNAXRBB-NSHDSACASA-N 2 2 268.361 0.093 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]CC1CCOCC1 ZINC001149570860 800277261 /nfs/dbraw/zinc/27/72/61/800277261.db2.gz CSYHCQMEZDFRPL-UHFFFAOYSA-N 2 2 294.399 0.485 20 0 CCADLP CCCC[N@@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150825001 800369543 /nfs/dbraw/zinc/36/95/43/800369543.db2.gz PQHYMROVBGJKHY-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP CCCC[N@H+]1CCCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150825001 800369553 /nfs/dbraw/zinc/36/95/53/800369553.db2.gz PQHYMROVBGJKHY-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP Cc1nocc1C[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151121911 800401178 /nfs/dbraw/zinc/40/11/78/800401178.db2.gz NDOYGSHCMBDGME-UHFFFAOYSA-N 2 2 277.328 0.394 20 0 CCADLP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CCF)c1cccnc1 ZINC001152617958 800542391 /nfs/dbraw/zinc/54/23/91/800542391.db2.gz GWWBVDFCLKZSKO-GFCCVEGCSA-N 2 2 268.336 0.360 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]Cc1cnc(Cl)s1 ZINC001153487563 800634259 /nfs/dbraw/zinc/63/42/59/800634259.db2.gz DUDGBLOFRVHFEW-UHFFFAOYSA-N 2 2 299.787 0.899 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CC1CCOCC1 ZINC001153500896 800636378 /nfs/dbraw/zinc/63/63/78/800636378.db2.gz YWWQNXSSJNUJOH-UHFFFAOYSA-N 2 2 266.345 0.016 20 0 CCADLP CC[N@H+](CCOC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001153891037 800687002 /nfs/dbraw/zinc/68/70/02/800687002.db2.gz IBBZJMMIGMNIMX-JHJVBQTASA-N 2 2 294.399 0.986 20 0 CCADLP CC[N@@H+](CCOC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001153891037 800687006 /nfs/dbraw/zinc/68/70/06/800687006.db2.gz IBBZJMMIGMNIMX-JHJVBQTASA-N 2 2 294.399 0.986 20 0 CCADLP CC[N@H+](CCOC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001153891037 800687008 /nfs/dbraw/zinc/68/70/08/800687008.db2.gz IBBZJMMIGMNIMX-JHJVBQTASA-N 2 2 294.399 0.986 20 0 CCADLP CC[N@@H+](CCOC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001153891037 800687011 /nfs/dbraw/zinc/68/70/11/800687011.db2.gz IBBZJMMIGMNIMX-JHJVBQTASA-N 2 2 294.399 0.986 20 0 CCADLP CN(C)c1cc(NCC[C@@H]2CCOC23C[NH2+]C3)[nH+]cn1 ZINC001155471448 800984225 /nfs/dbraw/zinc/98/42/25/800984225.db2.gz RAXJMLYTCVRKTQ-LLVKDONJSA-N 2 2 277.372 0.723 20 0 CCADLP CN(C)c1cc(NCC[C@@H]2CCOC23C[NH2+]C3)nc[nH+]1 ZINC001155471448 800984230 /nfs/dbraw/zinc/98/42/30/800984230.db2.gz RAXJMLYTCVRKTQ-LLVKDONJSA-N 2 2 277.372 0.723 20 0 CCADLP CN(C)c1cc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)[nH+]cn1 ZINC001155479824 800985743 /nfs/dbraw/zinc/98/57/43/800985743.db2.gz HAEFGHMTDZPIIH-GMTAPVOTSA-N 2 2 263.345 0.189 20 0 CCADLP CN(C)c1cc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)nc[nH+]1 ZINC001155479824 800985748 /nfs/dbraw/zinc/98/57/48/800985748.db2.gz HAEFGHMTDZPIIH-GMTAPVOTSA-N 2 2 263.345 0.189 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc3c[nH+]cn32)C1 ZINC001155801621 801054137 /nfs/dbraw/zinc/05/41/37/801054137.db2.gz SAWRBSFCAUBUAY-LBPRGKRZSA-N 2 2 274.324 0.395 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)c2cccc3c[nH+]cn32)C1 ZINC001155801621 801054142 /nfs/dbraw/zinc/05/41/42/801054142.db2.gz SAWRBSFCAUBUAY-LBPRGKRZSA-N 2 2 274.324 0.395 20 0 CCADLP CC[N@H+](C[C@@H](C)O)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248847 801332141 /nfs/dbraw/zinc/33/21/41/801332141.db2.gz ZPVMXGBKNJHWOK-ZIAGYGMSSA-N 2 2 296.415 0.871 20 0 CCADLP CC[N@@H+](C[C@@H](C)O)[C@H](C)CNC(=O)CCCn1cc[nH+]c1 ZINC001157248847 801332150 /nfs/dbraw/zinc/33/21/50/801332150.db2.gz ZPVMXGBKNJHWOK-ZIAGYGMSSA-N 2 2 296.415 0.871 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])CC(=O)NCCc1[nH+]ccn1C ZINC001157423726 801379170 /nfs/dbraw/zinc/37/91/70/801379170.db2.gz UHEDKWPBTZAQPS-QWRGUYRKSA-N 2 2 252.362 0.842 20 0 CCADLP CC(C)(C)C1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC1 ZINC001157694218 801457034 /nfs/dbraw/zinc/45/70/34/801457034.db2.gz PNQDXJXRCRJZJU-NEPJUHHUSA-N 2 2 253.390 0.960 20 0 CCADLP C[C@@H]1CN(C(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)CCCO1 ZINC001157703972 801459618 /nfs/dbraw/zinc/45/96/18/801459618.db2.gz UENPHXJMHMDJJD-RISCZKNCSA-N 2 2 277.368 0.896 20 0 CCADLP C[C@@H]1CCCCN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C1 ZINC001157780940 801482943 /nfs/dbraw/zinc/48/29/43/801482943.db2.gz KEMRLYVQOJXSLG-DYEKYZERSA-N 2 2 251.374 0.587 20 0 CCADLP Cc1nc2c(c(NC(=[NH2+])N3CC[NH+](C)CC3)n1)CCC2 ZINC001157915272 801519913 /nfs/dbraw/zinc/51/99/13/801519913.db2.gz OQMAPFNCQWJNDH-UHFFFAOYSA-N 2 2 274.372 0.868 20 0 CCADLP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157960883 801541082 /nfs/dbraw/zinc/54/10/82/801541082.db2.gz RUHDLEJQAGHGHT-GJZGRUSLSA-N 2 2 299.378 0.453 20 0 CCADLP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157960883 801541088 /nfs/dbraw/zinc/54/10/88/801541088.db2.gz RUHDLEJQAGHGHT-GJZGRUSLSA-N 2 2 299.378 0.453 20 0 CCADLP C[N@H+](CCO)C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001158050102 801559920 /nfs/dbraw/zinc/55/99/20/801559920.db2.gz HEAAIHOLJWGDAP-CQSZACIVSA-N 2 2 294.399 0.648 20 0 CCADLP C[N@@H+](CCO)C[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001158050102 801559927 /nfs/dbraw/zinc/55/99/27/801559927.db2.gz HEAAIHOLJWGDAP-CQSZACIVSA-N 2 2 294.399 0.648 20 0 CCADLP C[N@H+](CCO)C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001158050102 801559933 /nfs/dbraw/zinc/55/99/33/801559933.db2.gz HEAAIHOLJWGDAP-CQSZACIVSA-N 2 2 294.399 0.648 20 0 CCADLP C[N@@H+](CCO)C[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001158050102 801559939 /nfs/dbraw/zinc/55/99/39/801559939.db2.gz HEAAIHOLJWGDAP-CQSZACIVSA-N 2 2 294.399 0.648 20 0 CCADLP Cc1nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ccc1F ZINC001158202983 801591248 /nfs/dbraw/zinc/59/12/48/801591248.db2.gz BZVRTOVLLSOMJP-SECBINFHSA-N 2 2 250.277 0.577 20 0 CCADLP CC(C)(C)c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nn1 ZINC001158209140 801595596 /nfs/dbraw/zinc/59/55/96/801595596.db2.gz HSIGCEKKRXQGNG-SNVBAGLBSA-N 2 2 275.356 0.822 20 0 CCADLP CC(C)COc1cncc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158209017 801596215 /nfs/dbraw/zinc/59/62/15/801596215.db2.gz DNFBURHSRSCWMD-LLVKDONJSA-N 2 2 291.355 0.559 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Nc2cc3[nH]ccc3c[nH+]2)C[NH2+]1 ZINC001158253941 801604040 /nfs/dbraw/zinc/60/40/40/801604040.db2.gz KEYJSNHIPIEDNJ-KOLCDFICSA-N 2 2 260.297 0.878 20 0 CCADLP CCOc1nccc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158262032 801608917 /nfs/dbraw/zinc/60/89/17/801608917.db2.gz QIDJHPSOIVDMJJ-LBPRGKRZSA-N 2 2 291.399 0.877 20 0 CCADLP CCOc1nccc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158262032 801608921 /nfs/dbraw/zinc/60/89/21/801608921.db2.gz QIDJHPSOIVDMJJ-LBPRGKRZSA-N 2 2 291.399 0.877 20 0 CCADLP C[NH+](C)Cc1ccnc(NC[C@H]2COCC[N@@H+]2C)c1 ZINC001158711283 801690829 /nfs/dbraw/zinc/69/08/29/801690829.db2.gz RASGNAANZVBCEB-ZDUSSCGKSA-N 2 2 264.373 0.886 20 0 CCADLP C[NH+](C)Cc1ccnc(NC[C@H]2COCC[N@H+]2C)c1 ZINC001158711283 801690833 /nfs/dbraw/zinc/69/08/33/801690833.db2.gz RASGNAANZVBCEB-ZDUSSCGKSA-N 2 2 264.373 0.886 20 0 CCADLP COCC[N@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001158955234 801728506 /nfs/dbraw/zinc/72/85/06/801728506.db2.gz GHAHJNZNKSWRKH-CQSZACIVSA-N 2 2 294.399 0.842 20 0 CCADLP COCC[N@@H+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001158955234 801728509 /nfs/dbraw/zinc/72/85/09/801728509.db2.gz GHAHJNZNKSWRKH-CQSZACIVSA-N 2 2 294.399 0.842 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@@H]1Nc1cc(N2CCSCC2)[nH+]cn1 ZINC001159678949 801848132 /nfs/dbraw/zinc/84/81/32/801848132.db2.gz ALHXRLJWVJACLL-QWRGUYRKSA-N 2 2 295.412 0.022 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001160461658 801944771 /nfs/dbraw/zinc/94/47/71/801944771.db2.gz VEEBEQSSYHTUSF-STQMWFEESA-N 3 2 268.405 0.139 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC001160530811 801963497 /nfs/dbraw/zinc/96/34/97/801963497.db2.gz PEQCGTVXDLSKMN-MELADBBJSA-N 2 2 275.352 0.133 20 0 CCADLP CC(=O)NC[C@@H](C)CNc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001160656002 801991962 /nfs/dbraw/zinc/99/19/62/801991962.db2.gz LHNBZTVAMUZGDI-GFCCVEGCSA-N 2 2 291.399 0.675 20 0 CCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCC[C@@H]1c1nccs1 ZINC001160685901 802000563 /nfs/dbraw/zinc/00/05/63/802000563.db2.gz IYKHOEZSOMADSN-NNYUYHANSA-N 2 2 292.408 0.757 20 0 CCADLP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCc2[nH+]ccn2CC1 ZINC001160761038 802017338 /nfs/dbraw/zinc/01/73/38/802017338.db2.gz UPBALRQJZSVPAP-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP CN(Cc1ccc(F)cc1F)C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001160875630 802039482 /nfs/dbraw/zinc/03/94/82/802039482.db2.gz PTAKGYZXUCHWIU-PWSUYJOCSA-N 2 2 269.295 0.612 20 0 CCADLP CN(Cc1cncs1)C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001161065230 802079206 /nfs/dbraw/zinc/07/92/06/802079206.db2.gz PXDRBJXKGXVHPB-SKDRFNHKSA-N 2 2 266.370 0.053 20 0 CCADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)CCCCCCC[NH3+])C1 ZINC001161138085 802100051 /nfs/dbraw/zinc/10/00/51/802100051.db2.gz MOMKJXWEGXGTDX-CQSZACIVSA-N 2 2 285.388 0.389 20 0 CCADLP CO[C@@H](C)C[NH2+]CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001161215780 802108476 /nfs/dbraw/zinc/10/84/76/802108476.db2.gz ZTDNXRYCAMXVEU-STQMWFEESA-N 2 2 294.399 0.576 20 0 CCADLP COC[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001161315966 802125853 /nfs/dbraw/zinc/12/58/53/802125853.db2.gz SSDXGJCTGRJQBQ-STQMWFEESA-N 2 2 294.399 0.576 20 0 CCADLP CCN(C(=O)CCc1[nH]cc[nH+]1)[C@H]1CCC[NH2+]C1 ZINC001161331871 802129305 /nfs/dbraw/zinc/12/93/05/802129305.db2.gz HRYMFDVTPHDEHC-NSHDSACASA-N 2 2 250.346 0.943 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(NCCn3ccnn3)c2)C1 ZINC001161931530 802248948 /nfs/dbraw/zinc/24/89/48/802248948.db2.gz KUJWWQWVEIEBHK-CQSZACIVSA-N 2 2 286.383 0.923 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(NCCn3ccnn3)c2)C1 ZINC001161931530 802248951 /nfs/dbraw/zinc/24/89/51/802248951.db2.gz KUJWWQWVEIEBHK-CQSZACIVSA-N 2 2 286.383 0.923 20 0 CCADLP CCOC(=O)[C@H]([NH3+])CNc1ccc2c(n1)CC[NH2+]C2 ZINC001161946460 802254375 /nfs/dbraw/zinc/25/43/75/802254375.db2.gz YTVJJWVQVBKMQB-SNVBAGLBSA-N 2 2 264.329 0.030 20 0 CCADLP NC(=O)C1(Nc2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)CC1 ZINC001162548456 802366159 /nfs/dbraw/zinc/36/61/59/802366159.db2.gz FLMMOZPGKGWTPX-GFCCVEGCSA-N 2 2 274.368 0.649 20 0 CCADLP NC(=O)C1(Nc2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)CC1 ZINC001162548456 802366166 /nfs/dbraw/zinc/36/61/66/802366166.db2.gz FLMMOZPGKGWTPX-GFCCVEGCSA-N 2 2 274.368 0.649 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCCC[NH2+]Cc1nonc1C ZINC001162626916 802380258 /nfs/dbraw/zinc/38/02/58/802380258.db2.gz FMHGNCJSAUBPAU-UHFFFAOYSA-N 2 2 292.343 0.179 20 0 CCADLP CCOC(=O)C1CCC(NC(=[NH2+])N2CC[NH+](C)CC2)CC1 ZINC001255252009 808335804 /nfs/dbraw/zinc/33/58/04/808335804.db2.gz SALGAFNOTRVFCF-UHFFFAOYSA-N 2 2 296.415 0.880 20 0 CCADLP CCOC(=O)[C@H]1CCC[C@H](NC(=[NH2+])N2CC[NH+](C)CC2)C1 ZINC001255344520 808348639 /nfs/dbraw/zinc/34/86/39/808348639.db2.gz OOZWMOJRXAVNMV-STQMWFEESA-N 2 2 296.415 0.880 20 0 CCADLP COC(=O)[C@@H](Nc1ncnc2c1C[N@H+](C)CC2)C(C)(C)[NH3+] ZINC001162946174 802442769 /nfs/dbraw/zinc/44/27/69/802442769.db2.gz VXZGXQPBSJOWJG-LLVKDONJSA-N 2 2 293.371 0.155 20 0 CCADLP COC(=O)[C@@H](Nc1ncnc2c1C[N@@H+](C)CC2)C(C)(C)[NH3+] ZINC001162946174 802442774 /nfs/dbraw/zinc/44/27/74/802442774.db2.gz VXZGXQPBSJOWJG-LLVKDONJSA-N 2 2 293.371 0.155 20 0 CCADLP Cc1cc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)cc(OC(F)F)[nH+]1 ZINC001163254638 802522270 /nfs/dbraw/zinc/52/22/70/802522270.db2.gz OUYZPRDWJYJFRW-TVQRCGJNSA-N 2 2 298.293 0.981 20 0 CCADLP CNC(=O)[C@H](CCCC[NH3+])Nc1cc(N)cc(Cl)[nH+]1 ZINC001163439331 802557186 /nfs/dbraw/zinc/55/71/86/802557186.db2.gz WXBOSVYCGAPDSX-VIFPVBQESA-N 2 2 285.779 0.973 20 0 CCADLP CN1CCN(c2cccc(N3CC[NH+](C)CC3)[nH+]2)CC1=O ZINC001163631884 802577741 /nfs/dbraw/zinc/57/77/41/802577741.db2.gz GNDHYVQFZBBQCM-UHFFFAOYSA-N 2 2 289.383 0.112 20 0 CCADLP C[NH+](C)C1(CNc2nccnc2C(N)=O)CC[NH+](C)CC1 ZINC001164207133 802688259 /nfs/dbraw/zinc/68/82/59/802688259.db2.gz QMWFRLLQRKTNMZ-UHFFFAOYSA-N 2 2 292.387 0.013 20 0 CCADLP [NH3+]CCONc1ccc(OCC[NH+]2CCOCC2)nc1 ZINC001164439412 802742406 /nfs/dbraw/zinc/74/24/06/802742406.db2.gz RVDFUXHVWKFGBH-UHFFFAOYSA-N 2 2 282.344 0.095 20 0 CCADLP Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252668438 802777929 /nfs/dbraw/zinc/77/79/29/802777929.db2.gz WVRVTRHEJGMVTM-QWHCGFSZSA-N 2 2 264.373 0.979 20 0 CCADLP Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252668438 802777956 /nfs/dbraw/zinc/77/79/56/802777956.db2.gz WVRVTRHEJGMVTM-QWHCGFSZSA-N 2 2 264.373 0.979 20 0 CCADLP Cc1c(F)cc[nH+]c1N1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001165282989 802812763 /nfs/dbraw/zinc/81/27/63/802812763.db2.gz LSNRUHUUFBZYQM-MFKMUULPSA-N 2 2 251.305 0.547 20 0 CCADLP Cc1[nH+]c2c(n1-c1ccc3c(n1)CC[NH2+]C3)CC[NH2+]CC2 ZINC001165352663 802826630 /nfs/dbraw/zinc/82/66/30/802826630.db2.gz ZRWOXIYYVKAFCS-UHFFFAOYSA-N 3 2 283.379 0.910 20 0 CCADLP COC(=O)C1([NH3+])CCN(c2[nH+]cnc3[nH]cc(C)c32)CC1 ZINC001166795513 802961914 /nfs/dbraw/zinc/96/19/14/802961914.db2.gz VLUPSJQTVAEXKU-UHFFFAOYSA-N 2 2 289.339 0.737 20 0 CCADLP [NH3+]C[C@H]1CN(c2cc(N3CCSCC3)[nH+]cn2)CCO1 ZINC001166940207 802986816 /nfs/dbraw/zinc/98/68/16/802986816.db2.gz XUTYRFNVYBGFFG-NSHDSACASA-N 2 2 295.412 0.194 20 0 CCADLP [NH3+]C[C@H]1CN(c2cc(N3CCSCC3)nc[nH+]2)CCO1 ZINC001166940207 802986822 /nfs/dbraw/zinc/98/68/22/802986822.db2.gz XUTYRFNVYBGFFG-NSHDSACASA-N 2 2 295.412 0.194 20 0 CCADLP CO[C@@H](C)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001166960508 802995891 /nfs/dbraw/zinc/99/58/91/802995891.db2.gz IJUOAMGYJYWOKW-YNEHKIRRSA-N 2 2 294.399 0.654 20 0 CCADLP COC[C@@H](C)[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001204083336 803064257 /nfs/dbraw/zinc/06/42/57/803064257.db2.gz GSIXBOCTPGRZMI-GFCCVEGCSA-N 2 2 280.372 0.499 20 0 CCADLP COc1cc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1OC ZINC001205953361 803190888 /nfs/dbraw/zinc/19/08/88/803190888.db2.gz VVVZZKQXLSLGEH-CHWSQXEVSA-N 2 2 280.368 0.906 20 0 CCADLP COc1cc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1OC ZINC001205953361 803190891 /nfs/dbraw/zinc/19/08/91/803190891.db2.gz VVVZZKQXLSLGEH-CHWSQXEVSA-N 2 2 280.368 0.906 20 0 CCADLP CC[C@H](C)c1nn(C)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205982151 803194423 /nfs/dbraw/zinc/19/44/23/803194423.db2.gz KZYJTHQFQFNLGS-CYZMBNFOSA-N 2 2 266.389 0.828 20 0 CCADLP CC[C@H](C)c1nn(C)cc1C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205982151 803194425 /nfs/dbraw/zinc/19/44/25/803194425.db2.gz KZYJTHQFQFNLGS-CYZMBNFOSA-N 2 2 266.389 0.828 20 0 CCADLP COc1c(C)ccc(F)c1C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206500927 803254336 /nfs/dbraw/zinc/25/43/36/803254336.db2.gz VPNYLXZTKHCFLP-GXFFZTMASA-N 2 2 268.332 0.894 20 0 CCADLP COc1c(C)ccc(F)c1C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206500927 803254340 /nfs/dbraw/zinc/25/43/40/803254340.db2.gz VPNYLXZTKHCFLP-GXFFZTMASA-N 2 2 268.332 0.894 20 0 CCADLP COC[C@H](C)[NH2+]C[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001270612104 813836939 /nfs/dbraw/zinc/83/69/39/813836939.db2.gz OVNITMQIBMIOPQ-NEPJUHHUSA-N 2 2 268.361 0.260 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC(C[NH2+]CCCO)CC1 ZINC001206684203 803278964 /nfs/dbraw/zinc/27/89/64/803278964.db2.gz WVAIVXGMBCGAMF-UHFFFAOYSA-N 2 2 280.372 0.163 20 0 CCADLP CN(CC(C)(C)[NH+]1CCOCC1)[C@H]1CC[N@H+](C)C1 ZINC001207304295 803382147 /nfs/dbraw/zinc/38/21/47/803382147.db2.gz PVUXILHGPHDWCN-ZDUSSCGKSA-N 2 2 255.406 0.733 20 0 CCADLP CN(CC(C)(C)[NH+]1CCOCC1)[C@H]1CC[N@@H+](C)C1 ZINC001207304295 803382155 /nfs/dbraw/zinc/38/21/55/803382155.db2.gz PVUXILHGPHDWCN-ZDUSSCGKSA-N 2 2 255.406 0.733 20 0 CCADLP COC(=O)[C@@H]1COCCC12C[NH+](C[C@H]1CCC[N@H+](C)C1)C2 ZINC001208616872 803530188 /nfs/dbraw/zinc/53/01/88/803530188.db2.gz MTKFBLNUHQPSTR-KBPBESRZSA-N 2 2 296.411 0.840 20 0 CCADLP COC(=O)[C@@H]1COCCC12C[NH+](C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001208616872 803530191 /nfs/dbraw/zinc/53/01/91/803530191.db2.gz MTKFBLNUHQPSTR-KBPBESRZSA-N 2 2 296.411 0.840 20 0 CCADLP COC(=O)CO[C@H]1CC[N@H+](Cc2c[nH+]ccc2N)C1 ZINC001209733663 803626873 /nfs/dbraw/zinc/62/68/73/803626873.db2.gz RAHXGWSXJMSEDK-NSHDSACASA-N 2 2 265.313 0.258 20 0 CCADLP COC(=O)CO[C@H]1CC[N@@H+](Cc2c[nH+]ccc2N)C1 ZINC001209733663 803626876 /nfs/dbraw/zinc/62/68/76/803626876.db2.gz RAHXGWSXJMSEDK-NSHDSACASA-N 2 2 265.313 0.258 20 0 CCADLP CC[C@H](C[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1)OC ZINC001209835413 803631969 /nfs/dbraw/zinc/63/19/69/803631969.db2.gz APQUAYBZVJMQJF-TZMCWYRMSA-N 2 2 294.399 0.958 20 0 CCADLP [NH3+][C@@H]1NC(CN2CC[NH2+][C@H](Cc3ccccc3)C2)=CS1 ZINC001210265774 803645029 /nfs/dbraw/zinc/64/50/29/803645029.db2.gz ANPKITRLTPEHBK-UKRRQHHQSA-N 2 2 290.436 0.923 20 0 CCADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1[NH2+]CCO ZINC001216975238 803861431 /nfs/dbraw/zinc/86/14/31/803861431.db2.gz RRHVKCUUENADAJ-CHWSQXEVSA-N 2 2 280.372 0.092 20 0 CCADLP C[C@H]1C[NH+](CCc2nnc([C@@H]3CC[NH2+]3)o2)C[C@H](C)O1 ZINC001217695308 803901753 /nfs/dbraw/zinc/90/17/53/803901753.db2.gz SJXFUAUTTSSCRZ-DCAQKATOSA-N 2 2 266.345 0.756 20 0 CCADLP C[C@@H]1C[N@@H+](CCc2nnc([C@@H]3C=CC[NH2+]3)o2)C[C@H](C)O1 ZINC001217718413 803904090 /nfs/dbraw/zinc/90/40/90/803904090.db2.gz WISCFAYXLXFFRG-TUAOUCFPSA-N 2 2 278.356 0.922 20 0 CCADLP C[C@@H]1C[N@H+](CCc2nnc([C@@H]3C=CC[NH2+]3)o2)C[C@H](C)O1 ZINC001217718413 803904097 /nfs/dbraw/zinc/90/40/97/803904097.db2.gz WISCFAYXLXFFRG-TUAOUCFPSA-N 2 2 278.356 0.922 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OC[C@H]2C[C@H]3CC[NH2+]C[C@@H]3O2)C[N@@H+]1C ZINC001217887697 803924429 /nfs/dbraw/zinc/92/44/29/803924429.db2.gz JFHRHFPLJXXFSB-POQQGIQPSA-N 2 2 298.383 0.016 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OC[C@H]2C[C@H]3CC[NH2+]C[C@@H]3O2)C[N@H+]1C ZINC001217887697 803924431 /nfs/dbraw/zinc/92/44/31/803924431.db2.gz JFHRHFPLJXXFSB-POQQGIQPSA-N 2 2 298.383 0.016 20 0 CCADLP FC1(F)C[NH2+]C[C@H]1Oc1n[nH]c2c1CCC[NH2+]C2 ZINC001218232971 803943622 /nfs/dbraw/zinc/94/36/22/803943622.db2.gz VWGRXFVSXJEHLX-SECBINFHSA-N 2 2 258.272 0.431 20 0 CCADLP Cc1cc2c(ncnc2NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])s1 ZINC001218500452 803966031 /nfs/dbraw/zinc/96/60/31/803966031.db2.gz BDQSLNMXYBQQHF-IUCAKERBSA-N 2 2 277.353 0.485 20 0 CCADLP Cc1c[nH]nc1NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001218515009 803979337 /nfs/dbraw/zinc/97/93/37/803979337.db2.gz IDGSILMEJABFIG-LLVKDONJSA-N 2 2 259.313 0.929 20 0 CCADLP [NH3+]C1(C(=O)Nc2nc3c(s2)CCC3)CC[NH2+]CC1 ZINC001218517940 803979751 /nfs/dbraw/zinc/97/97/51/803979751.db2.gz JXKAIDRVNQOEBU-UHFFFAOYSA-N 2 2 266.370 0.651 20 0 CCADLP CC(C)(C)Cc1cc(NC(=O)[C@@H]([NH3+])CC[NH3+])on1 ZINC001218520911 803983587 /nfs/dbraw/zinc/98/35/87/803983587.db2.gz VKINVJYOCCUABP-VIFPVBQESA-N 2 2 254.334 0.878 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1cncc(O)c1 ZINC001218574543 804016594 /nfs/dbraw/zinc/01/65/94/804016594.db2.gz UWHANALOWBCBNV-UHFFFAOYSA-N 2 2 250.302 0.067 20 0 CCADLP [NH3+]C1(C(=O)Nc2cnc(Cl)nc2Cl)CC[NH2+]CC1 ZINC001218580150 804019521 /nfs/dbraw/zinc/01/95/21/804019521.db2.gz WZISKKQHQCNJBE-UHFFFAOYSA-N 2 2 290.154 0.803 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cnc(C(F)(F)F)nc2)C1 ZINC001218585162 804021092 /nfs/dbraw/zinc/02/10/92/804021092.db2.gz MPVAEKTVFKKQLF-VDTYLAMSSA-N 2 2 275.234 0.123 20 0 CCADLP Cc1nc2ccccn2c1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218590097 804024393 /nfs/dbraw/zinc/02/43/93/804024393.db2.gz JLVAIDJOUDQBRW-UHFFFAOYSA-N 2 2 287.367 0.923 20 0 CCADLP Cc1[nH]nc2ncc(NC(=O)[C@H]([NH3+])Cc3c[nH+]c[nH]3)cc12 ZINC001218614597 804035345 /nfs/dbraw/zinc/03/53/45/804035345.db2.gz FMVXQBOFTKOYNK-LLVKDONJSA-N 2 2 285.311 0.498 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cc(-c2ccccc2O)no1 ZINC001218711284 804091479 /nfs/dbraw/zinc/09/14/79/804091479.db2.gz BJZWASRNCGFJQI-VIFPVBQESA-N 2 2 276.296 0.662 20 0 CCADLP Cc1cc(NC(=O)C2([NH3+])CC[NH2+]CC2)n(C2CCC2)n1 ZINC001218729078 804098274 /nfs/dbraw/zinc/09/82/74/804098274.db2.gz TYNLXDCGFFNJSM-UHFFFAOYSA-N 2 2 277.372 0.936 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccnn1Br ZINC001218772222 804118107 /nfs/dbraw/zinc/11/81/07/804118107.db2.gz LPOUDDKHCVJJDS-SSDOTTSWSA-N 2 2 299.132 0.273 20 0 CCADLP [NH3+]C1(C(=O)Nc2cccn3nccc23)CC[NH2+]CC1 ZINC001218788561 804119003 /nfs/dbraw/zinc/11/90/03/804119003.db2.gz QAPKLMCHZGQDRJ-UHFFFAOYSA-N 2 2 259.313 0.354 20 0 CCADLP Cc1cncnc1NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001218792956 804123146 /nfs/dbraw/zinc/12/31/46/804123146.db2.gz SVGWRYDQUTUZBP-GFCCVEGCSA-N 2 2 271.324 0.996 20 0 CCADLP CC(C)(C[NH3+])c1ccc(NC(=O)C2([NH3+])CC[NH2+]CC2)cc1 ZINC001218897304 804151158 /nfs/dbraw/zinc/15/11/58/804151158.db2.gz GKFKOCOLYLVXIM-UHFFFAOYSA-N 3 2 290.411 0.942 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccc3c(c2)S(=O)(=O)C=C3)C1 ZINC001218928388 804159704 /nfs/dbraw/zinc/15/97/04/804159704.db2.gz UKDQNCCBDGFTBQ-KOLCDFICSA-N 2 2 293.348 0.072 20 0 CCADLP [NH3+]C1(C(=O)Nc2ccc3[nH]c(CO)nc3c2)CC[NH2+]CC1 ZINC001218956339 804167489 /nfs/dbraw/zinc/16/74/89/804167489.db2.gz SQMXAZBBQRJZNB-UHFFFAOYSA-N 2 2 289.339 0.075 20 0 CCADLP COc1ccc(N)c(NC(=O)C[NH2+]C2CC[NH2+]CC2)c1 ZINC001219142575 804216105 /nfs/dbraw/zinc/21/61/05/804216105.db2.gz RWRXFKWHMPINCJ-UHFFFAOYSA-N 2 2 278.356 0.558 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc2oc(=O)[nH]c2c1 ZINC001219152254 804220719 /nfs/dbraw/zinc/22/07/19/804220719.db2.gz QFFSDIMWGHDBMT-YUMQZZPRSA-N 2 2 262.269 0.019 20 0 CCADLP c1cc(-c2noc(C[NH+]3CCC3)n2)nc2c1C[NH2+]CC2 ZINC001212095473 815007200 /nfs/dbraw/zinc/00/72/00/815007200.db2.gz JYCISDPXKIKRGQ-UHFFFAOYSA-N 2 2 271.324 0.983 20 0 CCADLP CC1(c2ccc(NC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)cc2)COC1 ZINC001219490832 804328810 /nfs/dbraw/zinc/32/88/10/804328810.db2.gz BBWPMTZJCLOPQU-YPMHNXCESA-N 2 2 275.352 0.602 20 0 CCADLP CN1Cc2c(NC(=O)[C@@H]([NH3+])CC[NH3+])cccc2NC1=O ZINC001219529995 804338961 /nfs/dbraw/zinc/33/89/61/804338961.db2.gz GPMWROPQZONOPE-VIFPVBQESA-N 2 2 277.328 0.279 20 0 CCADLP O=C(NCCn1cc[nH+]c1)[C@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001219563683 804352833 /nfs/dbraw/zinc/35/28/33/804352833.db2.gz HUPINJANIMFLLO-KBPBESRZSA-N 2 2 291.399 0.073 20 0 CCADLP C[C@@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)c1ccncc1 ZINC001219600078 804367901 /nfs/dbraw/zinc/36/79/01/804367901.db2.gz HJRONGPVZHJSAM-SKDRFNHKSA-N 2 2 259.313 0.552 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC001219638593 804385456 /nfs/dbraw/zinc/38/54/56/804385456.db2.gz NTMGQSQLILNPNP-AVGNSLFASA-N 3 2 280.347 0.075 20 0 CCADLP O=C(N[C@@H]1CCCC[C@H]1F)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219671968 804400783 /nfs/dbraw/zinc/40/07/83/804400783.db2.gz YLAQYLULAKVYNT-PRULPYPASA-N 2 2 255.337 0.335 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NCc2cc[nH]n2)cc1 ZINC001219689380 804404949 /nfs/dbraw/zinc/40/49/49/804404949.db2.gz QHXNRZOFZMBHAK-GFCCVEGCSA-N 2 2 259.313 0.298 20 0 CCADLP O=C(N[C@@H]1C[NH2+]Cc2ccsc21)C1(F)C[NH2+]C1 ZINC001219824032 804430664 /nfs/dbraw/zinc/43/06/64/804430664.db2.gz XLAJFJLGICJMEM-MRVPVSSYSA-N 2 2 255.318 0.320 20 0 CCADLP O=C(NCCC[NH2+]C1CCCCC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219952046 804456310 /nfs/dbraw/zinc/45/63/10/804456310.db2.gz MNSYKQGTMMESFS-BBRMVZONSA-N 3 2 294.443 0.367 20 0 CCADLP C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001219978171 804463685 /nfs/dbraw/zinc/46/36/85/804463685.db2.gz FPSRPYQHNRWXBM-YPMHNXCESA-N 3 2 279.388 0.128 20 0 CCADLP C[N@H+]1CCC[C@H](CCNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001219978171 804463691 /nfs/dbraw/zinc/46/36/91/804463691.db2.gz FPSRPYQHNRWXBM-YPMHNXCESA-N 3 2 279.388 0.128 20 0 CCADLP [NH3+]C1(C(=O)N[C@@H]2CCC[C@]3(CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001220161954 804524331 /nfs/dbraw/zinc/52/43/31/804524331.db2.gz GWVFNEFTYVZEPZ-OCCSQVGLSA-N 3 2 280.416 0.106 20 0 CCADLP C[C@@H](CCCC(C)(C)O)NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220243268 804545960 /nfs/dbraw/zinc/54/59/60/804545960.db2.gz QQGJPBDVKHWHPH-ZDEQEGDKSA-N 2 2 283.416 0.382 20 0 CCADLP Cc1cccnc1[C@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C1CC1 ZINC001220257213 804553578 /nfs/dbraw/zinc/55/35/78/804553578.db2.gz RGCGTXUAOQGPLS-MBNYWOFBSA-N 2 2 274.368 0.647 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])CC(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001220290834 804564599 /nfs/dbraw/zinc/56/45/99/804564599.db2.gz FVDODCGDVDINMZ-WCQGTBRESA-N 2 2 268.361 0.193 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])CC(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001220290834 804564601 /nfs/dbraw/zinc/56/46/01/804564601.db2.gz FVDODCGDVDINMZ-WCQGTBRESA-N 2 2 268.361 0.193 20 0 CCADLP O=C(NCc1cccc2n[nH]cc21)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220308058 804567544 /nfs/dbraw/zinc/56/75/44/804567544.db2.gz BHYFRGVBGURLHT-IAQYHMDHSA-N 2 2 285.351 0.131 20 0 CCADLP [NH3+]C1(C(=O)Nc2cccn(CC3CC3)c2=O)CC[NH2+]CC1 ZINC001220343678 804580112 /nfs/dbraw/zinc/58/01/12/804580112.db2.gz XQKKTMWJYLKVRO-UHFFFAOYSA-N 2 2 290.367 0.278 20 0 CCADLP [NH3+]Cc1ncc(C(=O)NC2CC[NH+](CCF)CC2)s1 ZINC001220435643 804603605 /nfs/dbraw/zinc/60/36/05/804603605.db2.gz LGAHZMAYFCLNHR-UHFFFAOYSA-N 2 2 286.376 0.766 20 0 CCADLP C[C@@](CO)(NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)c1ccccc1 ZINC001220711283 804653087 /nfs/dbraw/zinc/65/30/87/804653087.db2.gz NHDAVDRMUXHGBD-ZFWWWQNUSA-N 2 2 288.351 0.303 20 0 CCADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@]13C[NH2+]C[C@H]1CC[NH2+]3)C2 ZINC001220717066 804655305 /nfs/dbraw/zinc/65/53/05/804655305.db2.gz YILWEBZSJMHAHC-FAHYXWLWSA-N 3 2 292.427 0.069 20 0 CCADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@]13C[NH2+]C[C@H]1CC[NH2+]3)C2 ZINC001220717066 804655308 /nfs/dbraw/zinc/65/53/08/804655308.db2.gz YILWEBZSJMHAHC-FAHYXWLWSA-N 3 2 292.427 0.069 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC2(C1)CC(F)(F)C2 ZINC001220736356 804657854 /nfs/dbraw/zinc/65/78/54/804657854.db2.gz IIQMWVTVMTWMMC-JTQLQIEISA-N 2 2 284.310 0.974 20 0 CCADLP CCOc1cc(CNC(=O)C2([NH3+])CC[NH2+]CC2)ccc1O ZINC001220816759 804672962 /nfs/dbraw/zinc/67/29/62/804672962.db2.gz ZMKHEEMDBGNWMJ-UHFFFAOYSA-N 2 2 293.367 0.488 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2sccc2Cl)C1 ZINC001220821461 804673238 /nfs/dbraw/zinc/67/32/38/804673238.db2.gz KLYMWFNAIRZCLD-SVRRBLITSA-N 2 2 259.762 0.707 20 0 CCADLP [NH3+]C1(C(=O)NCc2ccc(O)cc2F)CC[NH2+]CC1 ZINC001220821863 804674805 /nfs/dbraw/zinc/67/48/05/804674805.db2.gz RBHSFWYKFLWBAV-UHFFFAOYSA-N 2 2 267.304 0.228 20 0 CCADLP [NH3+]C1(C(=O)NC2(C(F)(F)F)CC2)CC[NH2+]CC1 ZINC001220838186 804678952 /nfs/dbraw/zinc/67/89/52/804678952.db2.gz DRKSGLJWFKVHHY-UHFFFAOYSA-N 2 2 251.252 0.278 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001220917245 804698340 /nfs/dbraw/zinc/69/83/40/804698340.db2.gz SVVVYWYXFQCMLL-KKUMJFAQSA-N 3 2 294.443 0.304 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001220917245 804698342 /nfs/dbraw/zinc/69/83/42/804698342.db2.gz SVVVYWYXFQCMLL-KKUMJFAQSA-N 3 2 294.443 0.304 20 0 CCADLP CCOc1cccc(CNC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)n1 ZINC001221065125 804727236 /nfs/dbraw/zinc/72/72/36/804727236.db2.gz AHCXNLOILCVYJJ-GFCCVEGCSA-N 2 2 289.339 0.390 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H]2CCCNC(=O)C2)cc1 ZINC001221269848 804762619 /nfs/dbraw/zinc/76/26/19/804762619.db2.gz ZIVAVNQBDWFBMN-CHWSQXEVSA-N 2 2 290.367 0.044 20 0 CCADLP CC(C)(C)OC(=O)C(C)(C)CNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001221306346 804772925 /nfs/dbraw/zinc/77/29/25/804772925.db2.gz PUQJLLGQMLCMQF-ZJUUUORDSA-N 2 2 285.388 0.160 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cnc(Cl)cn1 ZINC001221319317 804776132 /nfs/dbraw/zinc/77/61/32/804776132.db2.gz VUGBZBLHKWSYMB-SECBINFHSA-N 2 2 280.719 0.039 20 0 CCADLP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCCOc1cc[nH+]cc1 ZINC001221393834 804798312 /nfs/dbraw/zinc/79/83/12/804798312.db2.gz OKZNIXBFLKQOSA-ZDUSSCGKSA-N 3 2 280.372 0.294 20 0 CCADLP CC(C)[C@@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])c1cccc(N)n1 ZINC001221404312 804806478 /nfs/dbraw/zinc/80/64/78/804806478.db2.gz AXEAKJIIXZKVAX-OUJBWJOFSA-N 2 2 277.372 0.024 20 0 CCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@H+](CCF)C[C@H]21 ZINC001221883421 804852708 /nfs/dbraw/zinc/85/27/08/804852708.db2.gz DKMYEBGBEREZKM-CHWSQXEVSA-N 2 2 271.380 0.830 20 0 CCADLP CC[NH+](CC)CC(=O)N1C[C@H]2CC[N@@H+](CCF)C[C@H]21 ZINC001221883421 804852715 /nfs/dbraw/zinc/85/27/15/804852715.db2.gz DKMYEBGBEREZKM-CHWSQXEVSA-N 2 2 271.380 0.830 20 0 CCADLP c1nc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)cs1 ZINC001222090705 804865295 /nfs/dbraw/zinc/86/52/95/804865295.db2.gz GSUIWTSCXSTABA-UHFFFAOYSA-N 2 2 252.387 0.671 20 0 CCADLP c1nc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)cs1 ZINC001222090705 804865302 /nfs/dbraw/zinc/86/53/02/804865302.db2.gz GSUIWTSCXSTABA-UHFFFAOYSA-N 2 2 252.387 0.671 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001222092988 804865891 /nfs/dbraw/zinc/86/58/91/804865891.db2.gz ZMIGVACBFHDUNW-KBPBESRZSA-N 2 2 294.399 0.625 20 0 CCADLP O=c1[nH]cc(C[N@@H+]2CCC[C@@]23CCC[NH2+]C3)c(=O)[nH]1 ZINC001222247026 804886612 /nfs/dbraw/zinc/88/66/12/804886612.db2.gz ARESWZSTBHZFCY-CYBMUJFWSA-N 2 2 264.329 0.606 20 0 CCADLP O=c1[nH]cc(C[N@H+]2CCC[C@@]23CCC[NH2+]C3)c(=O)[nH]1 ZINC001222247026 804886621 /nfs/dbraw/zinc/88/66/21/804886621.db2.gz ARESWZSTBHZFCY-CYBMUJFWSA-N 2 2 264.329 0.606 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC3(C[C@H](O)CO3)CC2)O1 ZINC001222477842 804904225 /nfs/dbraw/zinc/90/42/25/804904225.db2.gz SJYAAAIBDALSSP-RYUDHWBXSA-N 2 2 270.373 0.327 20 0 CCADLP [NH3+]CC1(F)CC[NH+](Cc2cnc3n2CC[NH2+]C3)CC1 ZINC001222553296 804916376 /nfs/dbraw/zinc/91/63/76/804916376.db2.gz SSXAHKXKHUAFAC-UHFFFAOYSA-N 3 2 267.352 0.249 20 0 CCADLP CCOCC[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001276948788 805010734 /nfs/dbraw/zinc/01/07/34/805010734.db2.gz JMVDJCAIHFZWAE-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP CCOCC[N@H+]1CC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001276948788 805010744 /nfs/dbraw/zinc/01/07/44/805010744.db2.gz JMVDJCAIHFZWAE-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP CC(C)C[N@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001276985956 805063305 /nfs/dbraw/zinc/06/33/05/805063305.db2.gz MRERDSDUBDJMOH-GFCCVEGCSA-N 2 2 250.346 0.730 20 0 CCADLP C[N@@H+]1CCO[C@@H](COCCC[NH+]2CCOCC2)C1 ZINC001224865823 805084838 /nfs/dbraw/zinc/08/48/38/805084838.db2.gz BYSACNDZBQWPGJ-CYBMUJFWSA-N 2 2 258.362 0.056 20 0 CCADLP C[N@H+]1CCO[C@@H](COCCC[NH+]2CCOCC2)C1 ZINC001224865823 805084845 /nfs/dbraw/zinc/08/48/45/805084845.db2.gz BYSACNDZBQWPGJ-CYBMUJFWSA-N 2 2 258.362 0.056 20 0 CCADLP CC(C)(C)OC(=O)[C@H](CCC[NH3+])[NH2+]CC(C)(C)O ZINC001245985290 807106986 /nfs/dbraw/zinc/10/69/86/807106986.db2.gz QKRLYAZUOXMVOF-JTQLQIEISA-N 2 2 260.378 0.796 20 0 CCADLP COC(=O)[C@@]1([NH2+]C2CCC([NH+](C)C)CC2)CCOC1 ZINC001168315754 815090610 /nfs/dbraw/zinc/09/06/10/815090610.db2.gz NHUOVHAGJJOUIF-ORHYLEIMSA-N 2 2 270.373 0.781 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246020825 807121087 /nfs/dbraw/zinc/12/10/87/807121087.db2.gz MJNNBOUVTLSGJZ-KBPBESRZSA-N 3 2 257.422 0.892 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246020825 807121089 /nfs/dbraw/zinc/12/10/89/807121089.db2.gz MJNNBOUVTLSGJZ-KBPBESRZSA-N 3 2 257.422 0.892 20 0 CCADLP O[C@H](COc1ccccc1)C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246025631 807123374 /nfs/dbraw/zinc/12/33/74/807123374.db2.gz LNRASIWQQGMCAV-GOEBONIOSA-N 2 2 291.395 0.064 20 0 CCADLP O[C@H](COc1ccccc1)C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246025631 807123380 /nfs/dbraw/zinc/12/33/80/807123380.db2.gz LNRASIWQQGMCAV-GOEBONIOSA-N 2 2 291.395 0.064 20 0 CCADLP O[C@H](C[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1)C(F)(F)F ZINC001246060999 807137756 /nfs/dbraw/zinc/13/77/56/807137756.db2.gz SJJLYIWKIDCKNB-IVZWLZJFSA-N 2 2 252.280 0.984 20 0 CCADLP O[C@H](C[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1)C(F)(F)F ZINC001246060999 807137761 /nfs/dbraw/zinc/13/77/61/807137761.db2.gz SJJLYIWKIDCKNB-IVZWLZJFSA-N 2 2 252.280 0.984 20 0 CCADLP [NH3+]C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(CCO)cc1 ZINC001246059401 807137941 /nfs/dbraw/zinc/13/79/41/807137941.db2.gz AEUDTJDRQGPGQC-HUUCEWRRSA-N 2 2 294.395 0.384 20 0 CCADLP [NH3+]C[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(CCO)cc1 ZINC001246059401 807137946 /nfs/dbraw/zinc/13/79/46/807137946.db2.gz AEUDTJDRQGPGQC-HUUCEWRRSA-N 2 2 294.395 0.384 20 0 CCADLP [NH3+][C@H]1CC[N@H+](C[C@H](O)CCOCc2ccccc2)C1 ZINC001246067661 807139700 /nfs/dbraw/zinc/13/97/00/807139700.db2.gz FQNODBBCVCKKDC-LSDHHAIUSA-N 2 2 264.369 0.987 20 0 CCADLP [NH3+][C@H]1CC[N@@H+](C[C@H](O)CCOCc2ccccc2)C1 ZINC001246067661 807139708 /nfs/dbraw/zinc/13/97/08/807139708.db2.gz FQNODBBCVCKKDC-LSDHHAIUSA-N 2 2 264.369 0.987 20 0 CCADLP CCOC(=O)N1CCC([NH2+][C@@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001246087772 807148369 /nfs/dbraw/zinc/14/83/69/807148369.db2.gz PTEXAEIMYDIOKE-VXGBXAGGSA-N 2 2 273.352 0.897 20 0 CCADLP COC(=O)[C@@H]1C[C@H](NC[C@@]2(C(F)(F)F)CC[NH2+]C2)C[NH2+]1 ZINC001246110896 807154897 /nfs/dbraw/zinc/15/48/97/807154897.db2.gz JEPXNWYRDSXWJG-ATZCPNFKSA-N 2 2 295.305 0.022 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@]2(C(F)(F)F)CC[NH2+]C2)CN1 ZINC001246110896 807154901 /nfs/dbraw/zinc/15/49/01/807154901.db2.gz JEPXNWYRDSXWJG-ATZCPNFKSA-N 2 2 295.305 0.022 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCC[NH2+]C2)CO1 ZINC001246125759 807159920 /nfs/dbraw/zinc/15/99/20/807159920.db2.gz GSPUCQJWAPZHRX-SRVKXCTJSA-N 2 2 256.346 0.439 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC3(CC[NH2+]CC3)O2)C[NH2+]1 ZINC001246133597 807162534 /nfs/dbraw/zinc/16/25/34/807162534.db2.gz PXQOZUUCFQBPNX-FRRDWIJNSA-N 3 2 253.390 0.628 20 0 CCADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@@H]2COC3)CC[NH2+]1 ZINC001246149007 807167377 /nfs/dbraw/zinc/16/73/77/807167377.db2.gz PLNCTFVQAFFYKY-AIEDFZFUSA-N 3 2 281.444 0.977 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N[C@]2(C)CCC[NH2+]C2)C[NH2+]1 ZINC001246190649 807181646 /nfs/dbraw/zinc/18/16/46/807181646.db2.gz QXXJRAPKLOJNLP-TYNCELHUSA-N 2 2 283.416 0.790 20 0 CCADLP COC(=O)[C@H](O)[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC001246198664 807183981 /nfs/dbraw/zinc/18/39/81/807183981.db2.gz TVCBLBNFLOUPKF-REBRKWNGSA-N 2 2 292.379 0.992 20 0 CCADLP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](C[NH2+][C@H]2CCC[NH2+]C2)O1 ZINC001246287399 807208302 /nfs/dbraw/zinc/20/83/02/807208302.db2.gz MNKXSXSAJSCBGI-UMSGYPCISA-N 3 2 257.378 0.053 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@H]1[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC001246306566 807217643 /nfs/dbraw/zinc/21/76/43/807217643.db2.gz KUCREZHPFAYGJE-GXSJLCMTSA-N 2 2 281.322 0.183 20 0 CCADLP C[C@@H]1CC[C@@H](N[C@]2(C[NH3+])C[NH+]3CCC2CC3)C[NH2+]1 ZINC001246326504 807222409 /nfs/dbraw/zinc/22/24/09/807222409.db2.gz PMRCFPHKOFQGIS-MRVWCRGKSA-N 3 2 252.406 0.140 20 0 CCADLP O=C(N1CCC[C@H]([NH2+][C@H]2CCC[NH2+]C2)C1)C(F)(F)F ZINC001246349527 807229781 /nfs/dbraw/zinc/22/97/81/807229781.db2.gz RVEZVQILISXQNG-UWVGGRQHSA-N 2 2 279.306 0.881 20 0 CCADLP c1cc(C[NH2+][C@H]2CCC[NH2+]C2)cc(N2CC[NH2+]CC2)c1 ZINC001246353352 807230812 /nfs/dbraw/zinc/23/08/12/807230812.db2.gz ZXWXSWGCYSJLSH-HNNXBMFYSA-N 3 2 274.412 0.938 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](CCC[NH3+])C(=O)OC)C1 ZINC001246400222 807241572 /nfs/dbraw/zinc/24/15/72/807241572.db2.gz DVJCDPQRMTVCCF-UTUOFQBUSA-N 2 2 286.372 0.588 20 0 CCADLP O=C1C[C@@H]([NH2+]C2(c3ccccc3)CC[NH2+]CC2)CN1 ZINC001246427597 807250388 /nfs/dbraw/zinc/25/03/88/807250388.db2.gz DNYDOLCPWDFESS-CYBMUJFWSA-N 2 2 259.353 0.743 20 0 CCADLP COCCOc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)ncn1 ZINC001246433404 807251195 /nfs/dbraw/zinc/25/11/95/807251195.db2.gz JLMUHHAAFSYLOI-FUNVUKJBSA-N 2 2 292.383 0.874 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N[C@@H]2C[NH2+]CC[C@@H]2F)C[NH2+]1 ZINC001246479617 807260393 /nfs/dbraw/zinc/26/03/93/807260393.db2.gz DLUBQNXMKMZBQN-NOOOWODRSA-N 2 2 287.379 0.348 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@@H]2C[NH2+]CC[C@H]2F)C[NH2+]1 ZINC001246486187 807261985 /nfs/dbraw/zinc/26/19/85/807261985.db2.gz DLUBQNXMKMZBQN-WHOHXGKFSA-N 2 2 287.379 0.348 20 0 CCADLP CCOC(=O)[C@@H]([NH3+])Cc1cn([C@H]2CC[NH2+][C@@H](C)C2)cn1 ZINC001246524977 807274054 /nfs/dbraw/zinc/27/40/54/807274054.db2.gz QMKAMYFFRDHCDV-DRZSPHRISA-N 2 2 280.372 0.629 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H]([NH3+])CC2)CN1 ZINC001246544790 807280829 /nfs/dbraw/zinc/28/08/29/807280829.db2.gz ZBUHOVYNADSCQV-UPJWGTAASA-N 2 2 283.416 0.872 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H]([N@H+]2CCC[C@@H]([NH3+])CC2)CN1 ZINC001246544790 807280832 /nfs/dbraw/zinc/28/08/32/807280832.db2.gz ZBUHOVYNADSCQV-UPJWGTAASA-N 2 2 283.416 0.872 20 0 CCADLP [NH3+][C@@H]1C[N@@H+]([C@H]2CCO[C@@H](c3ccccc3)C2)C[C@H]1O ZINC001246556008 807286516 /nfs/dbraw/zinc/28/65/16/807286516.db2.gz HAYKOGAJGASQED-GBJTYRQASA-N 2 2 262.353 0.911 20 0 CCADLP [NH3+][C@@H]1C[N@H+]([C@H]2CCO[C@@H](c3ccccc3)C2)C[C@H]1O ZINC001246556008 807286521 /nfs/dbraw/zinc/28/65/21/807286521.db2.gz HAYKOGAJGASQED-GBJTYRQASA-N 2 2 262.353 0.911 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@@H+]([C@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC001246555513 807286875 /nfs/dbraw/zinc/28/68/75/807286875.db2.gz BUAVTHXKXRWDLJ-DZGCQCFKSA-N 3 2 267.417 0.837 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@H+]([C@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC001246555513 807286878 /nfs/dbraw/zinc/28/68/78/807286878.db2.gz BUAVTHXKXRWDLJ-DZGCQCFKSA-N 3 2 267.417 0.837 20 0 CCADLP CC(=O)N1CC[C@H]([N@@H+]2CCCC[C@@](F)(C[NH3+])C2)C1 ZINC001246580909 807302153 /nfs/dbraw/zinc/30/21/53/807302153.db2.gz OGXCFRLXZJBNJE-QWHCGFSZSA-N 2 2 257.353 0.760 20 0 CCADLP CC(=O)N1CC[C@H]([N@H+]2CCCC[C@@](F)(C[NH3+])C2)C1 ZINC001246580909 807302163 /nfs/dbraw/zinc/30/21/63/807302163.db2.gz OGXCFRLXZJBNJE-QWHCGFSZSA-N 2 2 257.353 0.760 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([N@@H+]2CCC[C@@]23CCC[NH2+]C3)CCN1 ZINC001246609607 807322665 /nfs/dbraw/zinc/32/26/65/807322665.db2.gz MAKCRTJVOQJXSX-VNHYZAJKSA-N 2 2 281.400 0.498 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([N@H+]2CCC[C@@]23CCC[NH2+]C3)CCN1 ZINC001246609607 807322672 /nfs/dbraw/zinc/32/26/72/807322672.db2.gz MAKCRTJVOQJXSX-VNHYZAJKSA-N 2 2 281.400 0.498 20 0 CCADLP CCN(CC)C(=O)C[C@@H](C)N1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001246620850 807328906 /nfs/dbraw/zinc/32/89/06/807328906.db2.gz ZPDZKGMWHRZDAY-ILXRZTDVSA-N 2 2 296.459 0.659 20 0 CCADLP C1[NH2+]CC12C[C@H]([NH+]1CCC3(CCC[NH2+]3)CC1)CCN2 ZINC001246628474 807332173 /nfs/dbraw/zinc/33/21/73/807332173.db2.gz ZPNQLCWUEYDGFJ-CYBMUJFWSA-N 3 2 264.417 0.298 20 0 CCADLP C[C@@H]1C[C@H]([N@@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)CC[NH2+]1 ZINC001246686351 807355775 /nfs/dbraw/zinc/35/57/75/807355775.db2.gz RSDZZKFOZOMLJP-XLWJZTARSA-N 3 2 265.401 0.580 20 0 CCADLP C[C@@H]1C[C@H]([N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)CC[NH2+]1 ZINC001246686351 807355784 /nfs/dbraw/zinc/35/57/84/807355784.db2.gz RSDZZKFOZOMLJP-XLWJZTARSA-N 3 2 265.401 0.580 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N2CCCC[C@@H]2C[NH+]2CCCC2)C[NH2+]1 ZINC001246784667 807377349 /nfs/dbraw/zinc/37/73/49/807377349.db2.gz HQQZWHPVCBSBRB-KFWWJZLASA-N 2 2 295.427 0.840 20 0 CCADLP COC(=O)C1(N)CC[NH+]([C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246814615 807391844 /nfs/dbraw/zinc/39/18/44/807391844.db2.gz RSBUTRBQAQSGTD-WDEREUQCSA-N 2 2 255.362 0.093 20 0 CCADLP CS(=O)(=O)C1CCC([N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246851789 807406170 /nfs/dbraw/zinc/40/61/70/807406170.db2.gz HOJPKAFWZOXTHF-IKWCTNDRSA-N 2 2 272.414 0.765 20 0 CCADLP CS(=O)(=O)C1CCC([N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001246851789 807406174 /nfs/dbraw/zinc/40/61/74/807406174.db2.gz HOJPKAFWZOXTHF-IKWCTNDRSA-N 2 2 272.414 0.765 20 0 CCADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]21 ZINC001246913816 807427648 /nfs/dbraw/zinc/42/76/48/807427648.db2.gz HBAURMPPRKYQOO-MCIONIFRSA-N 3 2 264.417 0.106 20 0 CCADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]21 ZINC001246913816 807427654 /nfs/dbraw/zinc/42/76/54/807427654.db2.gz HBAURMPPRKYQOO-MCIONIFRSA-N 3 2 264.417 0.106 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]21 ZINC001246913816 807427658 /nfs/dbraw/zinc/42/76/58/807427658.db2.gz HBAURMPPRKYQOO-MCIONIFRSA-N 3 2 264.417 0.106 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]21 ZINC001246913816 807427665 /nfs/dbraw/zinc/42/76/65/807427665.db2.gz HBAURMPPRKYQOO-MCIONIFRSA-N 3 2 264.417 0.106 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C2CCC3(CC[NH2+]C3)CC2)C[C@H]1[NH3+] ZINC001246930611 807432251 /nfs/dbraw/zinc/43/22/51/807432251.db2.gz LLFOWANYRFRCGQ-DNCHLWJUSA-N 3 2 281.400 0.341 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C2CCC3(CC[NH2+]C3)CC2)C[C@H]1[NH3+] ZINC001246930611 807432253 /nfs/dbraw/zinc/43/22/53/807432253.db2.gz LLFOWANYRFRCGQ-DNCHLWJUSA-N 3 2 281.400 0.341 20 0 CCADLP CC[N@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CN[C@H](C(=O)OC(C)(C)C)C1 ZINC001246942698 807437521 /nfs/dbraw/zinc/43/75/21/807437521.db2.gz OHCLRDOGAUJUPS-MCIONIFRSA-N 2 2 297.443 0.990 20 0 CCADLP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CN[C@H](C(=O)OC(C)(C)C)C1 ZINC001246942698 807437526 /nfs/dbraw/zinc/43/75/26/807437526.db2.gz OHCLRDOGAUJUPS-MCIONIFRSA-N 2 2 297.443 0.990 20 0 CCADLP C[C@@H]1C[NH+](C2CN([C@@H]3CCC[NH2+]C3)C2)C[C@@H](C)O1 ZINC001246991597 807450075 /nfs/dbraw/zinc/45/00/75/807450075.db2.gz IURGDQUCTWDSIX-JHJVBQTASA-N 2 2 253.390 0.532 20 0 CCADLP C[C@@H]1CC[C@@H]([N@@H+]2CCC(=O)N3CCC[C@H]3C2)C[NH2+]1 ZINC001246998156 807451308 /nfs/dbraw/zinc/45/13/08/807451308.db2.gz XNBSQLZJVXRWPA-UPJWGTAASA-N 2 2 251.374 0.824 20 0 CCADLP C[C@@H]1CC[C@@H]([N@H+]2CCC(=O)N3CCC[C@H]3C2)C[NH2+]1 ZINC001246998156 807451311 /nfs/dbraw/zinc/45/13/11/807451311.db2.gz XNBSQLZJVXRWPA-UPJWGTAASA-N 2 2 251.374 0.824 20 0 CCADLP [NH3+]C[C@H]([NH3+])Cc1nc(-c2ccc(C3OCCO3)cc2)no1 ZINC001249130224 807545567 /nfs/dbraw/zinc/54/55/67/807545567.db2.gz ZCDQXOWVFHCXBA-LLVKDONJSA-N 2 2 290.323 0.611 20 0 CCADLP CC[N@H+](C)C1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC001251024253 807644922 /nfs/dbraw/zinc/64/49/22/807644922.db2.gz NTYFZFJIDVOUAU-OAHLLOKOSA-N 2 2 285.432 0.096 20 0 CCADLP CC[N@@H+](C)C1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC001251024253 807644926 /nfs/dbraw/zinc/64/49/26/807644926.db2.gz NTYFZFJIDVOUAU-OAHLLOKOSA-N 2 2 285.432 0.096 20 0 CCADLP CCC(CC)[N@@H+]1CC[C@H](NC[C@@H](O)C[NH+]2CCOCC2)C1 ZINC001251046173 807656568 /nfs/dbraw/zinc/65/65/68/807656568.db2.gz OIMOCNSXEHBXLF-GOEBONIOSA-N 2 2 299.459 0.532 20 0 CCADLP CCC(CC)[N@H+]1CC[C@H](NC[C@@H](O)C[NH+]2CCOCC2)C1 ZINC001251046173 807656571 /nfs/dbraw/zinc/65/65/71/807656571.db2.gz OIMOCNSXEHBXLF-GOEBONIOSA-N 2 2 299.459 0.532 20 0 CCADLP CCOC[C@H](O)CNc1[nH+]cccc1N1CC[NH+](C)CC1 ZINC001252020969 807763298 /nfs/dbraw/zinc/76/32/98/807763298.db2.gz IMQOBYDDZGMHHE-CYBMUJFWSA-N 2 2 294.399 0.643 20 0 CCADLP C[NH+]1CCC(CO)([NH2+]C[C@](C)(O)c2ccccc2)CC1 ZINC001253126444 808008509 /nfs/dbraw/zinc/00/85/09/808008509.db2.gz HTOJRTQQBRTHRO-HNNXBMFYSA-N 2 2 278.396 0.940 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)C ZINC001253185177 808022130 /nfs/dbraw/zinc/02/21/30/808022130.db2.gz DOJOCEQCVFQUFZ-BYNSBNAKSA-N 2 2 297.443 0.392 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)C ZINC001253185177 808022139 /nfs/dbraw/zinc/02/21/39/808022139.db2.gz DOJOCEQCVFQUFZ-BYNSBNAKSA-N 2 2 297.443 0.392 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC001253187620 808022626 /nfs/dbraw/zinc/02/26/26/808022626.db2.gz FGUAOVYIYYARHV-NDBYEHHHSA-N 2 2 270.373 0.040 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC001253187620 808022634 /nfs/dbraw/zinc/02/26/34/808022634.db2.gz FGUAOVYIYYARHV-NDBYEHHHSA-N 2 2 270.373 0.040 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@H](O)c1ccncc1 ZINC001253215381 808035852 /nfs/dbraw/zinc/03/58/52/808035852.db2.gz WUSMWEQEZCZLDE-KGLIPLIRSA-N 2 2 267.373 0.407 20 0 CCADLP CCC(=O)NC1CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253391898 808053661 /nfs/dbraw/zinc/05/36/61/808053661.db2.gz BRYBQZLQJLZJOR-CYBMUJFWSA-N 2 2 285.432 0.726 20 0 CCADLP CC(=O)N[C@H]1CCC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C1 ZINC001253391230 808054035 /nfs/dbraw/zinc/05/40/35/808054035.db2.gz IUABDTJOIXOROX-QWHCGFSZSA-N 2 2 271.405 0.336 20 0 CCADLP CC(=O)N[C@H]1CCC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C1 ZINC001253391230 808054044 /nfs/dbraw/zinc/05/40/44/808054044.db2.gz IUABDTJOIXOROX-QWHCGFSZSA-N 2 2 271.405 0.336 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC001253395519 808055846 /nfs/dbraw/zinc/05/58/46/808055846.db2.gz IGPYUONVNDIPNK-QWHCGFSZSA-N 2 2 281.404 0.664 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC001253395519 808055853 /nfs/dbraw/zinc/05/58/53/808055853.db2.gz IGPYUONVNDIPNK-QWHCGFSZSA-N 2 2 281.404 0.664 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CC(=O)NCC(F)(F)F ZINC001253411808 808062792 /nfs/dbraw/zinc/06/27/92/808062792.db2.gz XIGMXPDTGRBNBT-QMMMGPOBSA-N 2 2 285.310 0.004 20 0 CCADLP C[NH+](C)Cc1cn(C[C@@H]2C[C@]3(CCC[NH2+]3)CO2)nn1 ZINC001254067782 808175867 /nfs/dbraw/zinc/17/58/67/808175867.db2.gz VHEMNYTVXKYTHF-QWHCGFSZSA-N 2 2 265.361 0.251 20 0 CCADLP CCOC(=O)C[NH+]1CCC(n2c(C)cnc2C[NH3+])CC1 ZINC001254395131 808231510 /nfs/dbraw/zinc/23/15/10/808231510.db2.gz CWKHNAHZDGQERC-UHFFFAOYSA-N 2 2 280.372 0.850 20 0 CCADLP CCOC(=O)C[NH+]1CCC(n2nc(CC[NH3+])nc2C)CC1 ZINC001254395775 808232032 /nfs/dbraw/zinc/23/20/32/808232032.db2.gz XNRUOEPWMOMGPO-UHFFFAOYSA-N 2 2 295.387 0.288 20 0 CCADLP CCOC(=O)C[NH+]1CCC(Nc2ccc(C[NH3+])nc2)CC1 ZINC001254400023 808233662 /nfs/dbraw/zinc/23/36/62/808233662.db2.gz WETYTXTWFBWGQB-UHFFFAOYSA-N 2 2 292.383 0.980 20 0 CCADLP C[NH+]1CC(C(=O)N2CC[NH+](CCc3ccccn3)CC2)C1 ZINC001142594633 815187822 /nfs/dbraw/zinc/18/78/22/815187822.db2.gz SXKNBWCLQZGUFO-UHFFFAOYSA-N 2 2 288.395 0.330 20 0 CCADLP C[N@@H+]1CCC[C@@H]([NH+]2CCN(c3ncc(O)cn3)CC2)CC1 ZINC001254531914 808255387 /nfs/dbraw/zinc/25/53/87/808255387.db2.gz MZAYVQVHDLZMJF-CYBMUJFWSA-N 2 2 291.399 0.789 20 0 CCADLP C[N@H+]1CCC[C@@H]([NH+]2CCN(c3ncc(O)cn3)CC2)CC1 ZINC001254531914 808255391 /nfs/dbraw/zinc/25/53/91/808255391.db2.gz MZAYVQVHDLZMJF-CYBMUJFWSA-N 2 2 291.399 0.789 20 0 CCADLP C1OCC1N1CC[C@H]([NH2+][C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254838644 808284274 /nfs/dbraw/zinc/28/42/74/808284274.db2.gz HAZNIHBVBLNKEF-UONOGXRCSA-N 2 2 265.401 0.533 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])N[C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254840548 808285269 /nfs/dbraw/zinc/28/52/69/808285269.db2.gz IUXWGFKGUWWIDP-ZDUSSCGKSA-N 3 2 265.405 0.242 20 0 CCADLP CC(=O)NCCCC[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254842673 808285990 /nfs/dbraw/zinc/28/59/90/808285990.db2.gz FUFCUPLTLXDBTA-AWEZNQCLSA-N 2 2 253.390 0.977 20 0 CCADLP O=C1C[C@H]([NH2+][C@@H]2CC3CC[NH+](CC3)C2)CCCN1 ZINC001254850002 808286431 /nfs/dbraw/zinc/28/64/31/808286431.db2.gz CIXUZQWRUMFMGP-CHWSQXEVSA-N 2 2 251.374 0.729 20 0 CCADLP C[N@H+](CCN1CC[NH+](C)CC1)[C@H]1CC2CCN(CC2)C1 ZINC001254859698 808290926 /nfs/dbraw/zinc/29/09/26/808290926.db2.gz GIFGLBFUOFYSAT-INIZCTEOSA-N 2 2 280.460 0.650 20 0 CCADLP C[N@@H+](CCN1CC[NH+](C)CC1)[C@H]1CC2CCN(CC2)C1 ZINC001254859698 808290931 /nfs/dbraw/zinc/29/09/31/808290931.db2.gz GIFGLBFUOFYSAT-INIZCTEOSA-N 2 2 280.460 0.650 20 0 CCADLP O=C1NCC[C@H]2C[N@@H+]([C@H]3CC4CC[NH+](CC4)C3)C[C@@H]12 ZINC001254864513 808292623 /nfs/dbraw/zinc/29/26/23/808292623.db2.gz QVUSDWHYRFUPPU-MELADBBJSA-N 2 2 263.385 0.539 20 0 CCADLP O=C1NCC[C@H]2C[N@H+]([C@H]3CC4CC[NH+](CC4)C3)C[C@@H]12 ZINC001254864513 808292624 /nfs/dbraw/zinc/29/26/24/808292624.db2.gz QVUSDWHYRFUPPU-MELADBBJSA-N 2 2 263.385 0.539 20 0 CCADLP [NH3+][C@@H]1CCC[N@@H+](C2CCN(c3ncccn3)CC2)C1 ZINC001256045921 808461600 /nfs/dbraw/zinc/46/16/00/808461600.db2.gz FLVDGLUNPVCUCW-GFCCVEGCSA-N 2 2 261.373 0.869 20 0 CCADLP [NH3+][C@@H]1CCC[N@H+](C2CCN(c3ncccn3)CC2)C1 ZINC001256045921 808461604 /nfs/dbraw/zinc/46/16/04/808461604.db2.gz FLVDGLUNPVCUCW-GFCCVEGCSA-N 2 2 261.373 0.869 20 0 CCADLP C[NH+]1CCN(C(=O)CC[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC001256069276 808467073 /nfs/dbraw/zinc/46/70/73/808467073.db2.gz XLPGNVVJPOSUKJ-UHFFFAOYSA-N 3 2 294.443 0.367 20 0 CCADLP CN1CCN(C(=O)CC[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC001256069276 808467078 /nfs/dbraw/zinc/46/70/78/808467078.db2.gz XLPGNVVJPOSUKJ-UHFFFAOYSA-N 2 2 294.443 0.367 20 0 CCADLP C[C@H](Cc1ccccn1)NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001256399737 808524606 /nfs/dbraw/zinc/52/46/06/808524606.db2.gz UHVZDZSFWOJFNO-GFCCVEGCSA-N 2 2 261.373 0.784 20 0 CCADLP C[C@H]1CC(NC(=[NH2+])N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC001257078088 808589133 /nfs/dbraw/zinc/58/91/33/808589133.db2.gz VIESGWYTPXPGCO-QWRGUYRKSA-N 2 2 254.378 0.714 20 0 CCADLP C[N@H+](C1CCN(S(C)(=O)=O)CC1)C1CC[NH+](C)CC1 ZINC001257232937 808601943 /nfs/dbraw/zinc/60/19/43/808601943.db2.gz GPNVXPNHPPGYRL-UHFFFAOYSA-N 2 2 289.445 0.436 20 0 CCADLP C[N@@H+](C1CCN(S(C)(=O)=O)CC1)C1CC[NH+](C)CC1 ZINC001257232937 808601946 /nfs/dbraw/zinc/60/19/46/808601946.db2.gz GPNVXPNHPPGYRL-UHFFFAOYSA-N 2 2 289.445 0.436 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@H](C[NH2+]CCO)C(C)(C)C ZINC001279027347 808626295 /nfs/dbraw/zinc/62/62/95/808626295.db2.gz AAICKIGHSHSBIT-CYBMUJFWSA-N 2 2 296.415 0.466 20 0 CCADLP CCOC(=O)CC[C@@H](C)[NH2+][C@@H](CCC[NH3+])C(=O)OCC ZINC001258477117 808686252 /nfs/dbraw/zinc/68/62/52/808686252.db2.gz BEMWSIRMAWBOFP-NEPJUHHUSA-N 2 2 288.388 0.978 20 0 CCADLP CCOC(=O)CC[C@@H](C)[NH2+][C@H](CCC[NH3+])C(=O)OC ZINC001258477127 808686532 /nfs/dbraw/zinc/68/65/32/808686532.db2.gz BJPOTMXTJQQXHD-GHMZBOCLSA-N 2 2 274.361 0.588 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](OCC[NH+]2CCN(C)CC2)C1 ZINC001224552911 815259199 /nfs/dbraw/zinc/25/91/99/815259199.db2.gz UDYZJNCZZAYHMX-CQSZACIVSA-N 2 2 255.406 0.733 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](OCC[NH+]2CCN(C)CC2)C1 ZINC001224552911 815259200 /nfs/dbraw/zinc/25/92/00/815259200.db2.gz UDYZJNCZZAYHMX-CQSZACIVSA-N 2 2 255.406 0.733 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001262035830 809168700 /nfs/dbraw/zinc/16/87/00/809168700.db2.gz XBOSJSWDOLZTOS-NSHDSACASA-N 2 2 252.318 0.020 20 0 CCADLP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CCF)C[C@H]21)[NH+](C)C ZINC001076253641 815268530 /nfs/dbraw/zinc/26/85/30/815268530.db2.gz PSCADZZVBHQBAC-RWMBFGLXSA-N 2 2 271.380 0.829 20 0 CCADLP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CCF)C[C@H]21)[NH+](C)C ZINC001076253641 815268534 /nfs/dbraw/zinc/26/85/34/815268534.db2.gz PSCADZZVBHQBAC-RWMBFGLXSA-N 2 2 271.380 0.829 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001262094738 809188860 /nfs/dbraw/zinc/18/88/60/809188860.db2.gz YRPWVMCEVJYGTA-VHSXEESVSA-N 2 2 251.334 0.489 20 0 CCADLP C[C@@H](CNC(=O)C[C@@H]1C[NH2+]C[C@H]1C)Cn1cc[nH+]c1 ZINC001263096552 809442034 /nfs/dbraw/zinc/44/20/34/809442034.db2.gz VLBLFXKDUORXOZ-YNEHKIRRSA-N 2 2 264.373 0.881 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001263250578 809495592 /nfs/dbraw/zinc/49/55/92/809495592.db2.gz MCSPDRIMLHWPDJ-NSHDSACASA-N 2 2 250.346 0.909 20 0 CCADLP C[C@H](CC[S@@](C)=O)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000380077185 809518463 /nfs/dbraw/zinc/51/84/63/809518463.db2.gz RKWJXLHJMZCXKX-ILMHXZGMSA-N 2 2 262.419 0.188 20 0 CCADLP C[C@H](CC[S@@](C)=O)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000380077185 809518466 /nfs/dbraw/zinc/51/84/66/809518466.db2.gz RKWJXLHJMZCXKX-ILMHXZGMSA-N 2 2 262.419 0.188 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCCCC[C@@H]([NH2+]CCCO)C1 ZINC001264126687 809632648 /nfs/dbraw/zinc/63/26/48/809632648.db2.gz WYBBKOZOXPSGMS-CYBMUJFWSA-N 2 2 294.399 0.695 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]21 ZINC001076501872 815304872 /nfs/dbraw/zinc/30/48/72/815304872.db2.gz HJZMLZYSQWQCQZ-SCDSUCTJSA-N 2 2 292.383 0.174 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]21 ZINC001076501872 815304878 /nfs/dbraw/zinc/30/48/78/815304878.db2.gz HJZMLZYSQWQCQZ-SCDSUCTJSA-N 2 2 292.383 0.174 20 0 CCADLP CC[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CCF)[NH+](C)C ZINC001264376084 809646206 /nfs/dbraw/zinc/64/62/06/809646206.db2.gz BREQWYRVVRQCIW-NEPJUHHUSA-N 2 2 259.369 0.829 20 0 CCADLP CC[C@@H](C(=O)N(C)C[C@H]1CC[N@H+]1CCF)[NH+](C)C ZINC001264376084 809646210 /nfs/dbraw/zinc/64/62/10/809646210.db2.gz BREQWYRVVRQCIW-NEPJUHHUSA-N 2 2 259.369 0.829 20 0 CCADLP CCCCOC[C@H](O)C[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC000700550511 809759926 /nfs/dbraw/zinc/75/99/26/809759926.db2.gz XFWSHASKUSGDMF-OAHLLOKOSA-N 2 2 285.432 0.096 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@@H]([NH2+]CCCO)C1 ZINC001266072258 809930436 /nfs/dbraw/zinc/93/04/36/809930436.db2.gz VOAZLFAXXMIBJG-VXGBXAGGSA-N 2 2 280.372 0.352 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C[NH2+]CCF ZINC001279162493 809971597 /nfs/dbraw/zinc/97/15/97/809971597.db2.gz RVHHERPKOYGDPS-MNOVXSKESA-N 2 2 268.336 0.606 20 0 CCADLP CCOCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001279204781 809972559 /nfs/dbraw/zinc/97/25/59/809972559.db2.gz OTYTYCYTSLKYNM-UONOGXRCSA-N 2 2 294.399 0.604 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C[C@@H]([NH3+])C(F)F ZINC000724737325 809988913 /nfs/dbraw/zinc/98/89/13/809988913.db2.gz AOTBAQYLCZXJFL-KXUCPTDWSA-N 2 2 261.316 0.664 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C[C@@H]([NH3+])C(F)F ZINC000724737325 809988917 /nfs/dbraw/zinc/98/89/17/809988917.db2.gz AOTBAQYLCZXJFL-KXUCPTDWSA-N 2 2 261.316 0.664 20 0 CCADLP [NH3+][C@@H](CC(=O)N1CC[C@H]([NH+]2CCCC2)C1)C(F)F ZINC000724753441 811091735 /nfs/dbraw/zinc/09/17/35/811091735.db2.gz VROUNJMKBWDPIX-UWVGGRQHSA-N 2 2 261.316 0.666 20 0 CCADLP CC[N@H+]1CC=C(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001279669056 811266983 /nfs/dbraw/zinc/26/69/83/811266983.db2.gz PJXAFOZYHVWQMN-UHFFFAOYSA-N 2 2 262.357 0.731 20 0 CCADLP CC[N@@H+]1CC=C(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001279669056 811266994 /nfs/dbraw/zinc/26/69/94/811266994.db2.gz PJXAFOZYHVWQMN-UHFFFAOYSA-N 2 2 262.357 0.731 20 0 CCADLP CN(CC[NH2+]CCCF)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001267393048 811282205 /nfs/dbraw/zinc/28/22/05/811282205.db2.gz QTKNVYSNHBZFOG-LBPRGKRZSA-N 2 2 282.363 0.853 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N(C)CC[NH2+]Cc1nonc1C ZINC001267403160 811282654 /nfs/dbraw/zinc/28/26/54/811282654.db2.gz XBOINBCEDXYOSE-UHFFFAOYSA-N 2 2 292.343 0.131 20 0 CCADLP Cc1nonc1C[NH2+]CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001267429022 811300406 /nfs/dbraw/zinc/30/04/06/811300406.db2.gz LFAJCMYUFXAQIR-LLVKDONJSA-N 2 2 295.387 0.268 20 0 CCADLP Cc1nonc1C[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001267429022 811300416 /nfs/dbraw/zinc/30/04/16/811300416.db2.gz LFAJCMYUFXAQIR-LLVKDONJSA-N 2 2 295.387 0.268 20 0 CCADLP C[C@@H]1C[C@H](C[NH2+]CCN(C)C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001267445849 811311111 /nfs/dbraw/zinc/31/11/11/811311111.db2.gz IRJBGMMLPRGHCI-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP CC[N@H+](CCO)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001098584014 811327667 /nfs/dbraw/zinc/32/76/67/811327667.db2.gz KGWDPBSFWGMWOW-UHFFFAOYSA-N 2 2 280.372 0.188 20 0 CCADLP CC[N@@H+](CCO)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001098584014 811327675 /nfs/dbraw/zinc/32/76/75/811327675.db2.gz KGWDPBSFWGMWOW-UHFFFAOYSA-N 2 2 280.372 0.188 20 0 CCADLP CC[N@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](O)C1 ZINC001083563394 815445894 /nfs/dbraw/zinc/44/58/94/815445894.db2.gz NHGNNUQQKGEOQZ-NEPJUHHUSA-N 2 2 280.372 0.108 20 0 CCADLP CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](O)C1 ZINC001083563394 815445898 /nfs/dbraw/zinc/44/58/98/815445898.db2.gz NHGNNUQQKGEOQZ-NEPJUHHUSA-N 2 2 280.372 0.108 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]Cc1cncc(C)c1 ZINC001149135394 811596891 /nfs/dbraw/zinc/59/68/91/811596891.db2.gz YQDKOGFEJCWZTQ-UHFFFAOYSA-N 2 2 287.367 0.870 20 0 CCADLP COCCC[NH+]1CC(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001267695048 811662188 /nfs/dbraw/zinc/66/21/88/811662188.db2.gz YBMXDYYQQMVMEC-GFCCVEGCSA-N 2 2 294.399 0.673 20 0 CCADLP COCCC[NH+]1CC(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001267695048 811662192 /nfs/dbraw/zinc/66/21/92/811662192.db2.gz YBMXDYYQQMVMEC-GFCCVEGCSA-N 2 2 294.399 0.673 20 0 CCADLP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](CCF)C1)[NH+](C)C ZINC001267749572 811740619 /nfs/dbraw/zinc/74/06/19/811740619.db2.gz RPLNBJMGSMYCCZ-VXGBXAGGSA-N 2 2 259.369 0.733 20 0 CCADLP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](CCF)C1)[NH+](C)C ZINC001267749572 811740623 /nfs/dbraw/zinc/74/06/23/811740623.db2.gz RPLNBJMGSMYCCZ-VXGBXAGGSA-N 2 2 259.369 0.733 20 0 CCADLP CCC[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001267972016 811909488 /nfs/dbraw/zinc/90/94/88/811909488.db2.gz PDVSTKYKTFTTSP-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP CC(C)[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H](O)C1 ZINC001083583606 815503524 /nfs/dbraw/zinc/50/35/24/815503524.db2.gz LHWAIAGKNBJCHE-BNOWGMLFSA-N 2 2 292.383 0.015 20 0 CCADLP CC(C)[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H](O)C1 ZINC001083583606 815503527 /nfs/dbraw/zinc/50/35/27/815503527.db2.gz LHWAIAGKNBJCHE-BNOWGMLFSA-N 2 2 292.383 0.015 20 0 CCADLP CCN1CCC[C@H]([NH2+]Cc2c[nH+]c(C)n2C)C1=O ZINC000722357141 812152425 /nfs/dbraw/zinc/15/24/25/812152425.db2.gz UUESPFVXKURKCM-LBPRGKRZSA-N 2 2 250.346 0.829 20 0 CCADLP O=C(NC[C@@H]1CCC[N@H+]1CCO)[C@@H]1CCn2c[nH+]cc2C1 ZINC001027977782 812187198 /nfs/dbraw/zinc/18/71/98/812187198.db2.gz YHTYVOWAKOOUOW-OLZOCXBDSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(NC[C@@H]1CCC[N@@H+]1CCO)[C@@H]1CCn2c[nH+]cc2C1 ZINC001027977782 812187205 /nfs/dbraw/zinc/18/72/05/812187205.db2.gz YHTYVOWAKOOUOW-OLZOCXBDSA-N 2 2 292.383 0.018 20 0 CCADLP CC[N@H+](C)CCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001268239837 812406675 /nfs/dbraw/zinc/40/66/75/812406675.db2.gz FWAXNKXQOFWGQY-LBPRGKRZSA-N 2 2 264.373 0.856 20 0 CCADLP CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001268239837 812406681 /nfs/dbraw/zinc/40/66/81/812406681.db2.gz FWAXNKXQOFWGQY-LBPRGKRZSA-N 2 2 264.373 0.856 20 0 CCADLP CCc1cc(N[C@H](CCC[NH3+])C(=O)OC)cc[nH+]1 ZINC001167900442 812475815 /nfs/dbraw/zinc/47/58/15/812475815.db2.gz DJQZNVBKPHMXDK-GFCCVEGCSA-N 2 2 251.330 0.758 20 0 CCADLP CO[C@H](C)C[NH2+]CC[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001268419073 812559708 /nfs/dbraw/zinc/55/97/08/812559708.db2.gz JXBYXLONZJOLJL-WDEREUQCSA-N 2 2 282.388 0.780 20 0 CCADLP C[C@H](CC[NH2+]Cc1nncs1)NC(=O)Cn1cc[nH+]c1 ZINC001268433177 812565739 /nfs/dbraw/zinc/56/57/39/812565739.db2.gz YFFUAUXLWSDWBE-SNVBAGLBSA-N 2 2 294.384 0.419 20 0 CCADLP CCN(CC[NH2+]CCF)C(=O)CCc1c[nH]c[nH+]1 ZINC001268452631 812593323 /nfs/dbraw/zinc/59/33/23/812593323.db2.gz BJJDBHUOCWSHDA-UHFFFAOYSA-N 2 2 256.325 0.750 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1c1nc(-c2ccc3c(c2)OCCO3)no1 ZINC001211755568 812671187 /nfs/dbraw/zinc/67/11/87/812671187.db2.gz SRWYUIBBRXKOIQ-UWVGGRQHSA-N 2 2 288.307 0.522 20 0 CCADLP [NH3+]Cc1ncc(N[C@@H]2CCC[N@@H+](C3COC3)C2)cn1 ZINC001168372112 815560688 /nfs/dbraw/zinc/56/06/88/815560688.db2.gz JKCKAFSGEQXNFA-SNVBAGLBSA-N 2 2 263.345 0.210 20 0 CCADLP [NH3+]Cc1ncc(N[C@@H]2CCC[N@H+](C3COC3)C2)cn1 ZINC001168372112 815560690 /nfs/dbraw/zinc/56/06/90/815560690.db2.gz JKCKAFSGEQXNFA-SNVBAGLBSA-N 2 2 263.345 0.210 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC/C=C/C[NH2+]C[C@@H]1CCCOC1 ZINC001268635033 812957506 /nfs/dbraw/zinc/95/75/06/812957506.db2.gz WBHTTXRTYAFVBH-YUKKFKLSSA-N 2 2 292.383 0.572 20 0 CCADLP CCOCC[N@H+](C)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001268753834 813066208 /nfs/dbraw/zinc/06/62/08/813066208.db2.gz XRMKRVPQHZOOBH-NSHDSACASA-N 2 2 268.361 0.425 20 0 CCADLP CCOCC[N@@H+](C)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001268753834 813066215 /nfs/dbraw/zinc/06/62/15/813066215.db2.gz XRMKRVPQHZOOBH-NSHDSACASA-N 2 2 268.361 0.425 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+]CCOC2CCC2)CC1 ZINC001269512518 813398355 /nfs/dbraw/zinc/39/83/55/813398355.db2.gz FOWMJUHIWVKPGN-UHFFFAOYSA-N 2 2 292.383 0.760 20 0 CCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2C(=O)CCc1c[nH]c[nH+]1 ZINC001269740050 813487596 /nfs/dbraw/zinc/48/75/96/813487596.db2.gz FUJHWLQTSSJYNE-OKILXGFUSA-N 2 2 291.399 0.189 20 0 CCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2C(=O)CCc1c[nH+]c[nH]1 ZINC001269740050 813487604 /nfs/dbraw/zinc/48/76/04/813487604.db2.gz FUJHWLQTSSJYNE-OKILXGFUSA-N 2 2 291.399 0.189 20 0 CCADLP COCCCC[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126447671 813632334 /nfs/dbraw/zinc/63/23/34/813632334.db2.gz KBKBMHLOBRBXQD-UHFFFAOYSA-N 2 2 268.361 0.475 20 0 CCADLP NC(=O)C1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167961879 813662550 /nfs/dbraw/zinc/66/25/50/813662550.db2.gz PXLVVGYKHDIVHF-YHWZYXNKSA-N 2 2 263.385 0.999 20 0 CCADLP NC(=O)C1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167961879 813662553 /nfs/dbraw/zinc/66/25/53/813662553.db2.gz PXLVVGYKHDIVHF-YHWZYXNKSA-N 2 2 263.385 0.999 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038417917 813707266 /nfs/dbraw/zinc/70/72/66/813707266.db2.gz VFXHTDLLFFKUFU-PWSUYJOCSA-N 2 2 288.351 0.748 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038417917 813707270 /nfs/dbraw/zinc/70/72/70/813707270.db2.gz VFXHTDLLFFKUFU-PWSUYJOCSA-N 2 2 288.351 0.748 20 0 CCADLP C[NH2+][C@@]12CC[C@@](NC(=O)[C@@H](CO)n3cc[nH+]c3)(C1)CCC2 ZINC001270399264 813748917 /nfs/dbraw/zinc/74/89/17/813748917.db2.gz NQXLZJQXSNWYJK-VHDGCEQUSA-N 2 2 292.383 0.598 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]CC1CC1 ZINC001270550249 813806401 /nfs/dbraw/zinc/80/64/01/813806401.db2.gz CNOOLRXJDVDNOL-SNVBAGLBSA-N 2 2 250.346 0.704 20 0 CCADLP CC[C@H](C(=O)N[C@@]1(C)CC[N@H+](CCF)C1)[NH+](C)C ZINC001270648908 813870468 /nfs/dbraw/zinc/87/04/68/813870468.db2.gz KEENDHUOEFHSER-YPMHNXCESA-N 2 2 259.369 0.877 20 0 CCADLP CC[C@H](C(=O)N[C@@]1(C)CC[N@@H+](CCF)C1)[NH+](C)C ZINC001270648908 813870472 /nfs/dbraw/zinc/87/04/72/813870472.db2.gz KEENDHUOEFHSER-YPMHNXCESA-N 2 2 259.369 0.877 20 0 CCADLP C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001204764366 814169153 /nfs/dbraw/zinc/16/91/53/814169153.db2.gz XXXNBNAORSRMQG-BONVTDFDSA-N 2 2 277.368 0.529 20 0 CCADLP C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@H+]1CC[C@](C)([NH3+])C1 ZINC001204764366 814169157 /nfs/dbraw/zinc/16/91/57/814169157.db2.gz XXXNBNAORSRMQG-BONVTDFDSA-N 2 2 277.368 0.529 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@@H+]1CCO ZINC001087609987 814174414 /nfs/dbraw/zinc/17/44/14/814174414.db2.gz MWOAUHUXAUEYIR-NRWUCQMLSA-N 2 2 292.383 0.475 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@H+]1CCO ZINC001087609987 814174419 /nfs/dbraw/zinc/17/44/19/814174419.db2.gz MWOAUHUXAUEYIR-NRWUCQMLSA-N 2 2 292.383 0.475 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@@H+]1CCO ZINC001087609987 814174425 /nfs/dbraw/zinc/17/44/25/814174425.db2.gz MWOAUHUXAUEYIR-NRWUCQMLSA-N 2 2 292.383 0.475 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@H+]1CCO ZINC001087609987 814174432 /nfs/dbraw/zinc/17/44/32/814174432.db2.gz MWOAUHUXAUEYIR-NRWUCQMLSA-N 2 2 292.383 0.475 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000430603874 814549326 /nfs/dbraw/zinc/54/93/26/814549326.db2.gz OCVWJMQYCDRBSF-UKRRQHHQSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000430603874 814549334 /nfs/dbraw/zinc/54/93/34/814549334.db2.gz OCVWJMQYCDRBSF-UKRRQHHQSA-N 2 2 295.427 0.698 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030297100 815964510 /nfs/dbraw/zinc/96/45/10/815964510.db2.gz FPIZBXZPXWDEDX-CYBMUJFWSA-N 2 2 269.389 0.042 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030297100 815964516 /nfs/dbraw/zinc/96/45/16/815964516.db2.gz FPIZBXZPXWDEDX-CYBMUJFWSA-N 2 2 269.389 0.042 20 0 CCADLP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC2C[NH+](C[C@H](C)O)C2)C1 ZINC001030432523 816037258 /nfs/dbraw/zinc/03/72/58/816037258.db2.gz JIESNIJHKBUZIO-QWHCGFSZSA-N 2 2 283.416 0.146 20 0 CCADLP CC(C)C[N@H+]1CC[C@@H](C(=O)NC2C[NH+](C[C@H](C)O)C2)C1 ZINC001030432523 816037264 /nfs/dbraw/zinc/03/72/64/816037264.db2.gz JIESNIJHKBUZIO-QWHCGFSZSA-N 2 2 283.416 0.146 20 0 CCADLP CC[C@H](C[NH+]1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1)OC ZINC001030532818 816089207 /nfs/dbraw/zinc/08/92/07/816089207.db2.gz WTNNCYFWVFDXCX-KGLIPLIRSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@H](C[NH+]1CC(NC(=O)[C@@H]2CCCC[N@H+]2C)C1)OC ZINC001030532818 816089213 /nfs/dbraw/zinc/08/92/13/816089213.db2.gz WTNNCYFWVFDXCX-KGLIPLIRSA-N 2 2 283.416 0.696 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CC[C@@H]2CCOC2)C1 ZINC001030532694 816089705 /nfs/dbraw/zinc/08/97/05/816089705.db2.gz UNRBVIWSZLCFRB-UKRRQHHQSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CC[C@@H]2CCOC2)C1 ZINC001030532694 816089710 /nfs/dbraw/zinc/08/97/10/816089710.db2.gz UNRBVIWSZLCFRB-UKRRQHHQSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H](O)C[NH+]1CC(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001030682366 816215311 /nfs/dbraw/zinc/21/53/11/816215311.db2.gz RZJIEOCPHVTUAS-JTQLQIEISA-N 2 2 274.324 0.129 20 0 CCADLP CC[C@H](C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C)OC ZINC001089074192 816235341 /nfs/dbraw/zinc/23/53/41/816235341.db2.gz MAFMMDFPJLJDRP-MCIONIFRSA-N 2 2 294.399 0.887 20 0 CCADLP CC[C@H](C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C)OC ZINC001089074192 816235349 /nfs/dbraw/zinc/23/53/49/816235349.db2.gz MAFMMDFPJLJDRP-MCIONIFRSA-N 2 2 294.399 0.887 20 0 CCADLP O=C(NC1C[NH+](CCCO)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001030737547 816257792 /nfs/dbraw/zinc/25/77/92/816257792.db2.gz BBCKJQQEWBPLGX-CQSZACIVSA-N 2 2 281.400 0.044 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1CCC[C@H]1C[NH2+]CCO ZINC001272290342 816275189 /nfs/dbraw/zinc/27/51/89/816275189.db2.gz MRGNHRSMDBTDHB-STQMWFEESA-N 2 2 294.399 0.220 20 0 CCADLP CC[N@@H+]1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001272436740 816426864 /nfs/dbraw/zinc/42/68/64/816426864.db2.gz AGTJFPDRYPNMDZ-AWEZNQCLSA-N 2 2 262.357 0.827 20 0 CCADLP CC[N@H+]1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001272436740 816426866 /nfs/dbraw/zinc/42/68/66/816426866.db2.gz AGTJFPDRYPNMDZ-AWEZNQCLSA-N 2 2 262.357 0.827 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001030959354 816505068 /nfs/dbraw/zinc/50/50/68/816505068.db2.gz AKJPEMJJQWYKJG-CMPLNLGQSA-N 2 2 257.353 0.344 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001030959354 816505074 /nfs/dbraw/zinc/50/50/74/816505074.db2.gz AKJPEMJJQWYKJG-CMPLNLGQSA-N 2 2 257.353 0.344 20 0 CCADLP O=C(NCCn1cc[nH+]c1)C1(C2CC[NH2+]CC2)CC1 ZINC001121980382 816518311 /nfs/dbraw/zinc/51/83/11/816518311.db2.gz AFJCHZLRYLZCJG-UHFFFAOYSA-N 2 2 262.357 0.779 20 0 CCADLP CC[N@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1 ZINC001083733437 816829316 /nfs/dbraw/zinc/82/93/16/816829316.db2.gz OBLFKPPCINYYEC-NEPJUHHUSA-N 2 2 281.356 0.136 20 0 CCADLP CC[N@@H+]1C[C@@H](NC(=O)c2occc2C[NH+](C)C)[C@@H](O)C1 ZINC001083733437 816829321 /nfs/dbraw/zinc/82/93/21/816829321.db2.gz OBLFKPPCINYYEC-NEPJUHHUSA-N 2 2 281.356 0.136 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC1(C[NH2+]CCCO)CC1 ZINC001168493216 816835218 /nfs/dbraw/zinc/83/52/18/816835218.db2.gz SKYKKVHQISVADI-UHFFFAOYSA-N 2 2 280.372 0.142 20 0 CCADLP CO[C@@H](C)C[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001168499060 816888743 /nfs/dbraw/zinc/88/87/43/816888743.db2.gz GEEKAUCLKPLLIQ-ZDUSSCGKSA-N 2 2 294.399 0.794 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)NC2C[NH+](CCOC3CCC3)C2)C1 ZINC001031382047 817017169 /nfs/dbraw/zinc/01/71/69/817017169.db2.gz GWTVSNYMPNHMPC-GFCCVEGCSA-N 2 2 281.400 0.308 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)NC2C[NH+](CCOC3CCC3)C2)C1 ZINC001031382047 817017177 /nfs/dbraw/zinc/01/71/77/817017177.db2.gz GWTVSNYMPNHMPC-GFCCVEGCSA-N 2 2 281.400 0.308 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC1C[NH+](C[C@H]2C[C@@]23CCOC3)C1 ZINC001031477333 817074247 /nfs/dbraw/zinc/07/42/47/817074247.db2.gz ZYIMPIPSRNLZMM-IUODEOHRSA-N 2 2 290.367 0.110 20 0 CCADLP Cc1oncc1C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001031584445 817163956 /nfs/dbraw/zinc/16/39/56/817163956.db2.gz CLVVNZPRQUNMPP-CQSZACIVSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1oncc1C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001031584445 817163962 /nfs/dbraw/zinc/16/39/62/817163962.db2.gz CLVVNZPRQUNMPP-CQSZACIVSA-N 2 2 292.383 0.625 20 0 CCADLP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCc3[nH]ncc32)CC1 ZINC000353530476 817390881 /nfs/dbraw/zinc/39/08/81/817390881.db2.gz MTEITHNTADVFHT-GFCCVEGCSA-N 2 2 264.373 0.833 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001124836549 817589266 /nfs/dbraw/zinc/58/92/66/817589266.db2.gz GULSZCUBAVNLOT-NSHDSACASA-N 2 2 266.345 0.283 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001124836549 817589272 /nfs/dbraw/zinc/58/92/72/817589272.db2.gz GULSZCUBAVNLOT-NSHDSACASA-N 2 2 266.345 0.283 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]C/C(Cl)=C/Cl)C1 ZINC001125221265 817731583 /nfs/dbraw/zinc/73/15/83/817731583.db2.gz PCTONHDSBQLDJI-ABRRARGCSA-N 2 2 296.198 0.342 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]C/C(Cl)=C/Cl)C1 ZINC001125221265 817731586 /nfs/dbraw/zinc/73/15/86/817731586.db2.gz PCTONHDSBQLDJI-ABRRARGCSA-N 2 2 296.198 0.342 20 0 CCADLP Cc1nc(NC/C=C/CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001107199161 817805557 /nfs/dbraw/zinc/80/55/57/817805557.db2.gz BNSAOAOJGWMBME-ITDFMYJTSA-N 2 2 289.383 0.821 20 0 CCADLP Cc1nc(NC/C=C/CNC(=O)[C@@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001107199161 817805566 /nfs/dbraw/zinc/80/55/66/817805566.db2.gz BNSAOAOJGWMBME-ITDFMYJTSA-N 2 2 289.383 0.821 20 0 CCADLP CCC[NH2+]CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001127772398 817852438 /nfs/dbraw/zinc/85/24/38/817852438.db2.gz HLDDMLOFDVSQGH-ZDUSSCGKSA-N 2 2 279.388 0.906 20 0 CCADLP CCC[NH2+]CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001127772398 817852450 /nfs/dbraw/zinc/85/24/50/817852450.db2.gz HLDDMLOFDVSQGH-ZDUSSCGKSA-N 2 2 279.388 0.906 20 0 CCADLP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001077656198 817943669 /nfs/dbraw/zinc/94/36/69/817943669.db2.gz ALCGYNYRBUMNJL-RAIGVLPGSA-N 2 2 292.383 0.401 20 0 CCADLP CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001077656198 817943673 /nfs/dbraw/zinc/94/36/73/817943673.db2.gz ALCGYNYRBUMNJL-RAIGVLPGSA-N 2 2 292.383 0.401 20 0 CCADLP CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001107816491 818026674 /nfs/dbraw/zinc/02/66/74/818026674.db2.gz DVERMNNDGSIMCY-TZMCWYRMSA-N 2 2 269.389 0.308 20 0 CCADLP CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001107816491 818026683 /nfs/dbraw/zinc/02/66/83/818026683.db2.gz DVERMNNDGSIMCY-TZMCWYRMSA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001107816491 818026691 /nfs/dbraw/zinc/02/66/91/818026691.db2.gz DVERMNNDGSIMCY-TZMCWYRMSA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001107816491 818026698 /nfs/dbraw/zinc/02/66/98/818026698.db2.gz DVERMNNDGSIMCY-TZMCWYRMSA-N 2 2 269.389 0.308 20 0 CCADLP CO[C@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001032815024 818041686 /nfs/dbraw/zinc/04/16/86/818041686.db2.gz VQHOJVCHVSYBIO-AGIUHOORSA-N 2 2 278.356 0.203 20 0 CCADLP CO[C@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001032815024 818041689 /nfs/dbraw/zinc/04/16/89/818041689.db2.gz VQHOJVCHVSYBIO-AGIUHOORSA-N 2 2 278.356 0.203 20 0 CCADLP Cc1oncc1C[NH2+]CC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001273046073 818524571 /nfs/dbraw/zinc/52/45/71/818524571.db2.gz WGXNNKABPFYUJA-JTQLQIEISA-N 2 2 291.355 0.933 20 0 CCADLP COc1cc(C)c(NC(=[NH2+])N2CC[NH+](C)CC2)nn1 ZINC001168735078 818531707 /nfs/dbraw/zinc/53/17/07/818531707.db2.gz HCIQEZNASGAYEX-UHFFFAOYSA-N 2 2 264.333 0.388 20 0 CCADLP CCCNc1ccnc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001168736100 818542859 /nfs/dbraw/zinc/54/28/59/818542859.db2.gz JNYGRJSWEYCCJR-UHFFFAOYSA-N 2 2 277.376 0.893 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccn3ccnc3c2)CC1 ZINC001168737301 818563478 /nfs/dbraw/zinc/56/34/78/818563478.db2.gz XZNGNXZAJMRUIX-UHFFFAOYSA-N 2 2 258.329 0.928 20 0 CCADLP COc1cc2nccn2cc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168740426 818602494 /nfs/dbraw/zinc/60/24/94/818602494.db2.gz JAOFYYIDWABSLX-UHFFFAOYSA-N 2 2 288.355 0.937 20 0 CCADLP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+]Cc1ncccn1 ZINC001128533713 818610981 /nfs/dbraw/zinc/61/09/81/818610981.db2.gz QRXQMNGJZVWHLW-GFCCVEGCSA-N 2 2 297.378 0.362 20 0 CCADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001033212235 818653519 /nfs/dbraw/zinc/65/35/19/818653519.db2.gz ROENNTGVVTZKRX-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001033212235 818653526 /nfs/dbraw/zinc/65/35/26/818653526.db2.gz ROENNTGVVTZKRX-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP CO[C@H](C)C[NH2+]CC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001273122934 818680615 /nfs/dbraw/zinc/68/06/15/818680615.db2.gz KBSGCYXUCTWIJD-NWDGAFQWSA-N 2 2 282.388 0.482 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033626153 818859061 /nfs/dbraw/zinc/85/90/61/818859061.db2.gz WVERDIABBXMLQS-WCQYABFASA-N 2 2 294.399 0.828 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033626153 818859065 /nfs/dbraw/zinc/85/90/65/818859065.db2.gz WVERDIABBXMLQS-WCQYABFASA-N 2 2 294.399 0.828 20 0 CCADLP CCC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033708006 818894321 /nfs/dbraw/zinc/89/43/21/818894321.db2.gz XFWBQUGEILFCDP-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP CCC[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033708006 818894324 /nfs/dbraw/zinc/89/43/24/818894324.db2.gz XFWBQUGEILFCDP-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001033788622 818935699 /nfs/dbraw/zinc/93/56/99/818935699.db2.gz INYBTPOLBVBNFF-GJZGRUSLSA-N 2 2 295.427 0.650 20 0 CCADLP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001033788622 818935703 /nfs/dbraw/zinc/93/57/03/818935703.db2.gz INYBTPOLBVBNFF-GJZGRUSLSA-N 2 2 295.427 0.650 20 0 CCADLP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+](CC2CC2)C1 ZINC001033788622 818935709 /nfs/dbraw/zinc/93/57/09/818935709.db2.gz INYBTPOLBVBNFF-GJZGRUSLSA-N 2 2 295.427 0.650 20 0 CCADLP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+](CC2CC2)C1 ZINC001033788622 818935712 /nfs/dbraw/zinc/93/57/12/818935712.db2.gz INYBTPOLBVBNFF-GJZGRUSLSA-N 2 2 295.427 0.650 20 0 CCADLP CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001033788582 818935819 /nfs/dbraw/zinc/93/58/19/818935819.db2.gz HVZCBLMCSDPBSE-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001033788582 818935823 /nfs/dbraw/zinc/93/58/23/818935823.db2.gz HVZCBLMCSDPBSE-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001033788582 818935828 /nfs/dbraw/zinc/93/58/28/818935828.db2.gz HVZCBLMCSDPBSE-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001033788582 818935831 /nfs/dbraw/zinc/93/58/31/818935831.db2.gz HVZCBLMCSDPBSE-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@H+](CCCO)C1 ZINC001034503816 819223455 /nfs/dbraw/zinc/22/34/55/819223455.db2.gz TVNVOBONXWXHBD-CYBMUJFWSA-N 2 2 294.399 0.614 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[N@@H+](CCCO)C1 ZINC001034503816 819223462 /nfs/dbraw/zinc/22/34/62/819223462.db2.gz TVNVOBONXWXHBD-CYBMUJFWSA-N 2 2 294.399 0.614 20 0 CCADLP COCC[N@@H+]1CCCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001034502085 819224175 /nfs/dbraw/zinc/22/41/75/819224175.db2.gz CPBYNLFVUZFXOB-CYBMUJFWSA-N 2 2 294.399 0.878 20 0 CCADLP COCC[N@H+]1CCCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001034502085 819224185 /nfs/dbraw/zinc/22/41/85/819224185.db2.gz CPBYNLFVUZFXOB-CYBMUJFWSA-N 2 2 294.399 0.878 20 0 CCADLP O=C(N[C@H]1CC[C@H]([NH2+]CCO)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001034666055 819273835 /nfs/dbraw/zinc/27/38/35/819273835.db2.gz WVEWXSCSKLAYHS-FDYHWXHSSA-N 2 2 292.383 0.523 20 0 CCADLP O=C(N[C@H]1CC[C@H]([NH2+]CCO)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001034666055 819273839 /nfs/dbraw/zinc/27/38/39/819273839.db2.gz WVEWXSCSKLAYHS-FDYHWXHSSA-N 2 2 292.383 0.523 20 0 CCADLP O=C(N1CCC(n2cc[nH+]c2)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000827995278 819383362 /nfs/dbraw/zinc/38/33/62/819383362.db2.gz BETDBZHXBLEBRT-CYBMUJFWSA-N 2 2 266.320 0.748 20 0 CCADLP CC(C)=CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001035312300 819462560 /nfs/dbraw/zinc/46/25/60/819462560.db2.gz HTGFQRLOKWMEKB-GJZGRUSLSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)=CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001035312300 819462565 /nfs/dbraw/zinc/46/25/65/819462565.db2.gz HTGFQRLOKWMEKB-GJZGRUSLSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001035312300 819462570 /nfs/dbraw/zinc/46/25/70/819462570.db2.gz HTGFQRLOKWMEKB-GJZGRUSLSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001035312300 819462574 /nfs/dbraw/zinc/46/25/74/819462574.db2.gz HTGFQRLOKWMEKB-GJZGRUSLSA-N 2 2 295.427 0.864 20 0 CCADLP CCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001035415700 819516969 /nfs/dbraw/zinc/51/69/69/819516969.db2.gz DOOWMWSXPBAZCG-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001035415700 819516973 /nfs/dbraw/zinc/51/69/73/819516973.db2.gz DOOWMWSXPBAZCG-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001035415700 819516977 /nfs/dbraw/zinc/51/69/77/819516977.db2.gz DOOWMWSXPBAZCG-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001035415700 819516982 /nfs/dbraw/zinc/51/69/82/819516982.db2.gz DOOWMWSXPBAZCG-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP CC(C)[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001035416633 819520603 /nfs/dbraw/zinc/52/06/03/819520603.db2.gz LGOYAGJPCUXIAV-ZIAGYGMSSA-N 2 2 283.416 0.696 20 0 CCADLP CC(C)[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001035416633 819520608 /nfs/dbraw/zinc/52/06/08/819520608.db2.gz LGOYAGJPCUXIAV-ZIAGYGMSSA-N 2 2 283.416 0.696 20 0 CCADLP CC(C)[NH+]1CCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001035416633 819520612 /nfs/dbraw/zinc/52/06/12/819520612.db2.gz LGOYAGJPCUXIAV-ZIAGYGMSSA-N 2 2 283.416 0.696 20 0 CCADLP CC(C)[NH+]1CCO[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001035416633 819520616 /nfs/dbraw/zinc/52/06/16/819520616.db2.gz LGOYAGJPCUXIAV-ZIAGYGMSSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H](O)C[NH+]1CC2(C1)CCN(C(=O)Cc1[nH]cc[nH+]1)CC2 ZINC001035822174 819629287 /nfs/dbraw/zinc/62/92/87/819629287.db2.gz AUJIZQWRDKXLNK-LBPRGKRZSA-N 2 2 292.383 0.257 20 0 CCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@H]1[NH2+]CCO ZINC001036269670 819717087 /nfs/dbraw/zinc/71/70/87/819717087.db2.gz VXBQJDJQPSQLIE-VXGBXAGGSA-N 2 2 294.399 0.506 20 0 CCADLP O=C1[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CCN1C1CCC1 ZINC000708666271 819776499 /nfs/dbraw/zinc/77/64/99/819776499.db2.gz BJSQXHGTUDUYFT-AMJSTUSJSA-N 2 2 275.396 0.726 20 0 CCADLP CO[C@@H]1C[N@@H+](CC[C@H](C)F)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001082394735 820956283 /nfs/dbraw/zinc/95/62/83/820956283.db2.gz CULVTCVTMMZRKO-YNEHKIRRSA-N 2 2 298.362 0.447 20 0 CCADLP CCCC[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001083997531 821169734 /nfs/dbraw/zinc/16/97/34/821169734.db2.gz BAMLTRLCTLMYDP-OLZOCXBDSA-N 2 2 280.372 0.222 20 0 CCADLP CCCC[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001083997531 821169737 /nfs/dbraw/zinc/16/97/37/821169737.db2.gz BAMLTRLCTLMYDP-OLZOCXBDSA-N 2 2 280.372 0.222 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCF)C[C@H]21 ZINC001084232261 821247253 /nfs/dbraw/zinc/24/72/53/821247253.db2.gz YQCZESREXMLNPQ-FRRDWIJNSA-N 2 2 269.364 0.583 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCF)C[C@H]21 ZINC001084232261 821247259 /nfs/dbraw/zinc/24/72/59/821247259.db2.gz YQCZESREXMLNPQ-FRRDWIJNSA-N 2 2 269.364 0.583 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCF)C[C@H]21 ZINC001084232261 821247268 /nfs/dbraw/zinc/24/72/68/821247268.db2.gz YQCZESREXMLNPQ-FRRDWIJNSA-N 2 2 269.364 0.583 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCF)C[C@H]21 ZINC001084232261 821247278 /nfs/dbraw/zinc/24/72/78/821247278.db2.gz YQCZESREXMLNPQ-FRRDWIJNSA-N 2 2 269.364 0.583 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[NH+](CCF)C[C@H]32)C1 ZINC001084662352 821342774 /nfs/dbraw/zinc/34/27/74/821342774.db2.gz GMMAMERZPKSZFQ-BFHYXJOUSA-N 2 2 283.391 0.830 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CC[NH+](CCF)C[C@H]32)C1 ZINC001084662352 821342779 /nfs/dbraw/zinc/34/27/79/821342779.db2.gz GMMAMERZPKSZFQ-BFHYXJOUSA-N 2 2 283.391 0.830 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@H+](CCF)C[C@H]32)C1 ZINC001084662352 821342787 /nfs/dbraw/zinc/34/27/87/821342787.db2.gz GMMAMERZPKSZFQ-BFHYXJOUSA-N 2 2 283.391 0.830 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@@H+](CCF)C[C@H]32)C1 ZINC001084662352 821342795 /nfs/dbraw/zinc/34/27/95/821342795.db2.gz GMMAMERZPKSZFQ-BFHYXJOUSA-N 2 2 283.391 0.830 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099809168 821329878 /nfs/dbraw/zinc/32/98/78/821329878.db2.gz CZUVLHVFNJSWMY-RYUDHWBXSA-N 2 2 280.372 0.302 20 0 CCADLP CC(C)[N@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099809168 821329889 /nfs/dbraw/zinc/32/98/89/821329889.db2.gz CZUVLHVFNJSWMY-RYUDHWBXSA-N 2 2 280.372 0.302 20 0 CCADLP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CCF)C[C@H]32)CC1 ZINC001084629398 821333485 /nfs/dbraw/zinc/33/34/85/821333485.db2.gz VKRZMNGGMCTQST-ZIAGYGMSSA-N 2 2 283.391 0.830 20 0 CCADLP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CCF)C[C@H]32)CC1 ZINC001084629398 821333491 /nfs/dbraw/zinc/33/34/91/821333491.db2.gz VKRZMNGGMCTQST-ZIAGYGMSSA-N 2 2 283.391 0.830 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001084687723 821350146 /nfs/dbraw/zinc/35/01/46/821350146.db2.gz QXJJREDDJHIFCN-YRGRVCCFSA-N 2 2 292.383 0.520 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001084687723 821350151 /nfs/dbraw/zinc/35/01/51/821350151.db2.gz QXJJREDDJHIFCN-YRGRVCCFSA-N 2 2 292.383 0.520 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CC[N@H+](CCCF)C[C@H]21 ZINC001084775015 821387707 /nfs/dbraw/zinc/38/77/07/821387707.db2.gz PKLWRUXLQZGWDT-TZMCWYRMSA-N 2 2 294.374 0.855 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CC[N@@H+](CCCF)C[C@H]21 ZINC001084775015 821387710 /nfs/dbraw/zinc/38/77/10/821387710.db2.gz PKLWRUXLQZGWDT-TZMCWYRMSA-N 2 2 294.374 0.855 20 0 CCADLP CN(C[C@H]1CC[N@@H+]1CCO)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085672994 821890001 /nfs/dbraw/zinc/89/00/01/821890001.db2.gz MYTZIKDFEZWMTI-GFCCVEGCSA-N 2 2 288.351 0.702 20 0 CCADLP CN(C[C@H]1CC[N@H+]1CCO)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001085672994 821890012 /nfs/dbraw/zinc/89/00/12/821890012.db2.gz MYTZIKDFEZWMTI-GFCCVEGCSA-N 2 2 288.351 0.702 20 0 CCADLP CN(C[C@@H]1CC[N@@H+]1CCO)C(=O)c1ccn2c[nH+]cc2c1 ZINC001085699326 821910776 /nfs/dbraw/zinc/91/07/76/821910776.db2.gz LHPXIPWZUBNXFS-ZDUSSCGKSA-N 2 2 288.351 0.473 20 0 CCADLP CN(C[C@@H]1CC[N@H+]1CCO)C(=O)c1ccn2c[nH+]cc2c1 ZINC001085699326 821910782 /nfs/dbraw/zinc/91/07/82/821910782.db2.gz LHPXIPWZUBNXFS-ZDUSSCGKSA-N 2 2 288.351 0.473 20 0 CCADLP CN(C[C@@H]1CC[N@@H+]1CCF)C(=O)C1CC[NH+](C)CC1 ZINC001085799297 821959771 /nfs/dbraw/zinc/95/97/71/821959771.db2.gz ODYYDHCYYFJAAN-ZDUSSCGKSA-N 2 2 271.380 0.830 20 0 CCADLP CN(C[C@@H]1CC[N@H+]1CCF)C(=O)C1CC[NH+](C)CC1 ZINC001085799297 821959775 /nfs/dbraw/zinc/95/97/75/821959775.db2.gz ODYYDHCYYFJAAN-ZDUSSCGKSA-N 2 2 271.380 0.830 20 0 CCADLP C[NH+](C)[C@H](C(=O)NCC[NH2+]Cc1cnsn1)C1CC1 ZINC001129436495 837511002 /nfs/dbraw/zinc/51/10/02/837511002.db2.gz PTXYLXRCZSAUBD-NSHDSACASA-N 2 2 283.401 0.084 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)C[N@@H+](C)C2CCC2)co1 ZINC001129532237 837523392 /nfs/dbraw/zinc/52/33/92/837523392.db2.gz WILRBRVMFBHVJX-UHFFFAOYSA-N 2 2 280.372 0.673 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)C[N@H+](C)C2CCC2)co1 ZINC001129532237 837523398 /nfs/dbraw/zinc/52/33/98/837523398.db2.gz WILRBRVMFBHVJX-UHFFFAOYSA-N 2 2 280.372 0.673 20 0 CCADLP Cc1nonc1C[NH2+]CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129849823 837568452 /nfs/dbraw/zinc/56/84/52/837568452.db2.gz WPUMLUYLORIPPE-GFCCVEGCSA-N 2 2 295.387 0.458 20 0 CCADLP Cc1nonc1C[NH2+]CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129849823 837568455 /nfs/dbraw/zinc/56/84/55/837568455.db2.gz WPUMLUYLORIPPE-GFCCVEGCSA-N 2 2 295.387 0.458 20 0 CCADLP CCOCCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129893763 837581994 /nfs/dbraw/zinc/58/19/94/837581994.db2.gz ZZJFIGMPHVPNMH-VXGBXAGGSA-N 2 2 280.372 0.646 20 0 CCADLP CCOCCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129893763 837581998 /nfs/dbraw/zinc/58/19/98/837581998.db2.gz ZZJFIGMPHVPNMH-VXGBXAGGSA-N 2 2 280.372 0.646 20 0 CCADLP CC(C)C[C@H](C(=O)NCC[NH2+][C@H](C)C(N)=O)n1cc[nH+]c1 ZINC001130001841 837605351 /nfs/dbraw/zinc/60/53/51/837605351.db2.gz ZBHGTXLBXNGXIH-VXGBXAGGSA-N 2 2 295.387 0.050 20 0 CCADLP CC[C@@H](C[NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)OC ZINC001130403910 837786675 /nfs/dbraw/zinc/78/66/75/837786675.db2.gz DQLWQHFYESMORY-JSGCOSHPSA-N 2 2 294.399 0.576 20 0 CCADLP O=C([C@@H]1CSC[NH2+]1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157960447 837796351 /nfs/dbraw/zinc/79/63/51/837796351.db2.gz KLFYSNFQPALUCD-QWHCGFSZSA-N 2 2 277.393 0.822 20 0 CCADLP CO[C@@H](C)C[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130487526 837811407 /nfs/dbraw/zinc/81/14/07/837811407.db2.gz HGUZPZDOYGAIIO-RYUDHWBXSA-N 2 2 280.372 0.186 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1c(Cl)cnnc1Cl ZINC001169066475 836122506 /nfs/dbraw/zinc/12/25/06/836122506.db2.gz DYBWXOCYSMVGSR-ZCFIWIBFSA-N 2 2 288.138 0.831 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nc(Cl)cc(Cl)n1 ZINC001169067065 836122532 /nfs/dbraw/zinc/12/25/32/836122532.db2.gz NMDDLQHYLFHAFK-ZCFIWIBFSA-N 2 2 288.138 0.831 20 0 CCADLP CCN(C)c1nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ncc1C ZINC001169067460 836124092 /nfs/dbraw/zinc/12/40/92/836124092.db2.gz UGANOGVPAYNUAK-LLVKDONJSA-N 2 2 290.371 0.289 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2c(c1)[C@H](O)CCO2 ZINC001169073865 836127018 /nfs/dbraw/zinc/12/70/18/836127018.db2.gz NKNYDSCCAGZMCJ-QMTHXVAHSA-N 2 2 289.335 0.550 20 0 CCADLP COc1cc(F)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c(OC)c1 ZINC001169073811 836127586 /nfs/dbraw/zinc/12/75/86/836127586.db2.gz MCEREOUBBRLYRY-SECBINFHSA-N 2 2 295.314 0.891 20 0 CCADLP COc1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c(OC)c1F ZINC001169075012 836128237 /nfs/dbraw/zinc/12/82/37/836128237.db2.gz FCXKDKIOCXYSSY-SECBINFHSA-N 2 2 295.314 0.891 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2c(c1)OCO2 ZINC001169074595 836128345 /nfs/dbraw/zinc/12/83/45/836128345.db2.gz TVEOWYYNIKGAFF-SECBINFHSA-N 2 2 261.281 0.463 20 0 CCADLP COC(=O)CC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(N)=O ZINC001169115350 836152629 /nfs/dbraw/zinc/15/26/29/836152629.db2.gz JEBNEZHCJSPVJT-USZNOCQGSA-N 2 2 283.372 0.008 20 0 CCADLP COC(=O)CC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(N)=O ZINC001169115350 836152634 /nfs/dbraw/zinc/15/26/34/836152634.db2.gz JEBNEZHCJSPVJT-USZNOCQGSA-N 2 2 283.372 0.008 20 0 CCADLP C[C@@H]([NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1)c1cnccn1 ZINC001169204118 836158902 /nfs/dbraw/zinc/15/89/02/836158902.db2.gz IFLQQQJDGREYHR-LLVKDONJSA-N 2 2 288.355 0.599 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]CC[C@H]1CCCO1 ZINC001169204088 836159139 /nfs/dbraw/zinc/15/91/39/836159139.db2.gz HIKDZLPVBXKYEH-GFCCVEGCSA-N 2 2 280.372 0.617 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]C[C@H]1CCOC1 ZINC001169212094 836159890 /nfs/dbraw/zinc/15/98/90/836159890.db2.gz PFBCFZMVMPDTID-LLVKDONJSA-N 2 2 266.345 0.085 20 0 CCADLP Cc1nocc1C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169205550 836168587 /nfs/dbraw/zinc/16/85/87/836168587.db2.gz ZKWLCFLVCUUXCM-UHFFFAOYSA-N 2 2 277.328 0.545 20 0 CCADLP Cc1nc(C)c(C[NH2+]CCCNC(=O)Cc2[nH]cc[nH+]2)o1 ZINC001169204528 836168801 /nfs/dbraw/zinc/16/88/01/836168801.db2.gz NSUDQCGIDMGGEK-UHFFFAOYSA-N 2 2 291.355 0.853 20 0 CCADLP Cc1cc(N2CCOCC2)[nH+]cc1-n1nncc1C[NH3+] ZINC001169310471 836210026 /nfs/dbraw/zinc/21/00/26/836210026.db2.gz XDXDYZRBPXORLA-UHFFFAOYSA-N 2 2 274.328 0.266 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)CCCC[NH+](C)C ZINC001184060740 844150358 /nfs/dbraw/zinc/15/03/58/844150358.db2.gz OOELWMIEIQMOJL-UHFFFAOYSA-N 2 2 282.388 0.878 20 0 CCADLP CCOC(=O)N1CCC[C@@H]([N@@H+]2CCO[C@H](C[NH3+])C2)CC1 ZINC001169645715 836401726 /nfs/dbraw/zinc/40/17/26/836401726.db2.gz BTUVVPQXWLAHFX-CHWSQXEVSA-N 2 2 285.388 0.657 20 0 CCADLP CCOC(=O)N1CCC[C@@H]([N@H+]2CCO[C@H](C[NH3+])C2)CC1 ZINC001169645715 836401731 /nfs/dbraw/zinc/40/17/31/836401731.db2.gz BTUVVPQXWLAHFX-CHWSQXEVSA-N 2 2 285.388 0.657 20 0 CCADLP Cc1[nH+]cn(-c2ccc(NC[C@H]3COCC[NH2+]3)nn2)c1C ZINC001170042635 836771298 /nfs/dbraw/zinc/77/12/98/836771298.db2.gz RDZXTLNMMRGSRF-LBPRGKRZSA-N 2 2 288.355 0.679 20 0 CCADLP O=C(C[NH2+]C1CC[NH+](C2CC2)CC1)N1CCCO1 ZINC001184279110 844205452 /nfs/dbraw/zinc/20/54/52/844205452.db2.gz XJKAGQCWLARRFI-UHFFFAOYSA-N 2 2 253.346 0.367 20 0 CCADLP Cc1cccnc1C[NH+]1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001113300469 837079022 /nfs/dbraw/zinc/07/90/22/837079022.db2.gz WXFSOSACYOEHHG-UHFFFAOYSA-N 2 2 290.411 0.986 20 0 CCADLP CO[C@H](C)C[NH+]1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001113686806 837199979 /nfs/dbraw/zinc/19/99/79/837199979.db2.gz WJDXFTRMBAEOGJ-CYBMUJFWSA-N 2 2 271.405 0.506 20 0 CCADLP CO[C@H](C)C[NH+]1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001113686806 837199983 /nfs/dbraw/zinc/19/99/83/837199983.db2.gz WJDXFTRMBAEOGJ-CYBMUJFWSA-N 2 2 271.405 0.506 20 0 CCADLP CC[C@H]1C[C@H](NC(=[NH2+])N2CC[NH+](C)CC2)CCO1 ZINC001170176550 837249463 /nfs/dbraw/zinc/24/94/63/837249463.db2.gz YKSONULXIZVNMS-NEPJUHHUSA-N 2 2 254.378 0.716 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCCC(F)(F)CC1 ZINC001157708529 837266039 /nfs/dbraw/zinc/26/60/39/837266039.db2.gz UTOVUGLWOFCINE-NSHDSACASA-N 2 2 286.326 0.938 20 0 CCADLP C[NH+]1CC(CNc2[nH+]cnc3[nH]cc([S@@](C)=O)c32)C1 ZINC001170249873 837284093 /nfs/dbraw/zinc/28/40/93/837284093.db2.gz QSOSNLQZYHXNSH-LJQANCHMSA-N 2 2 279.369 0.620 20 0 CCADLP [NH3+]CCOCCOCCNc1[nH+]cnc2[nH]cc(F)c21 ZINC001170504618 837860957 /nfs/dbraw/zinc/86/09/57/837860957.db2.gz CUTCBMWBHFKITJ-UHFFFAOYSA-N 2 2 283.307 0.452 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1nc(C)c(C)o1 ZINC001131377080 838076413 /nfs/dbraw/zinc/07/64/13/838076413.db2.gz FZGKJRGMHIAXDQ-UHFFFAOYSA-N 2 2 291.355 0.702 20 0 CCADLP C[C@H](Nc1cc(N2CCCC2)nc[nH+]1)[C@H]1C[NH2+]CCO1 ZINC001170563612 838113314 /nfs/dbraw/zinc/11/33/14/838113314.db2.gz MSJUDURQWJZKLG-NWDGAFQWSA-N 2 2 277.372 0.866 20 0 CCADLP C[C@H](Nc1cc(N2CCCC2)[nH+]cn1)[C@H]1C[NH2+]CCO1 ZINC001170563612 838113317 /nfs/dbraw/zinc/11/33/17/838113317.db2.gz MSJUDURQWJZKLG-NWDGAFQWSA-N 2 2 277.372 0.866 20 0 CCADLP C[C@@H]1CC[C@H](C[NH2+]CCNC(=O)CCc2[nH+]ccn2C)O1 ZINC001131653804 838166939 /nfs/dbraw/zinc/16/69/39/838166939.db2.gz VAVZRSJRRKQQIG-CHWSQXEVSA-N 2 2 294.399 0.626 20 0 CCADLP COCCCC[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131655778 838171155 /nfs/dbraw/zinc/17/11/55/838171155.db2.gz BCVDKKNRWCKURA-UHFFFAOYSA-N 2 2 282.388 0.485 20 0 CCADLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCCC[NH2+]CCF)[nH]n1 ZINC001158470912 838236340 /nfs/dbraw/zinc/23/63/40/838236340.db2.gz GENBNOFBMRZYEO-CYBMUJFWSA-N 2 2 297.378 0.855 20 0 CCADLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCCC[NH2+]CCF)[nH]n1 ZINC001158470912 838236351 /nfs/dbraw/zinc/23/63/51/838236351.db2.gz GENBNOFBMRZYEO-CYBMUJFWSA-N 2 2 297.378 0.855 20 0 CCADLP C[NH+](C)CCCC(=O)NCC[NH2+]Cc1cnsn1 ZINC001133040601 838540465 /nfs/dbraw/zinc/54/04/65/838540465.db2.gz YQODMWPAVMYZBR-UHFFFAOYSA-N 2 2 271.390 0.086 20 0 CCADLP COCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001133354090 838609283 /nfs/dbraw/zinc/60/92/83/838609283.db2.gz MTODQMXXLHSPMB-KGLIPLIRSA-N 2 2 294.399 0.604 20 0 CCADLP CC(C)[C@H](C(=O)NCC[NH2+]Cc1nncs1)[NH+](C)C ZINC001133434150 838635325 /nfs/dbraw/zinc/63/53/25/838635325.db2.gz IUBVOVZGMRASEN-LLVKDONJSA-N 2 2 285.417 0.330 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1)c1ncccn1 ZINC001133845275 838743081 /nfs/dbraw/zinc/74/30/81/838743081.db2.gz AHCIBFPTWPTWHB-STQMWFEESA-N 2 2 291.399 0.585 20 0 CCADLP Cc1nnc(C[NH2+][C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)o1 ZINC001185249208 844378981 /nfs/dbraw/zinc/37/89/81/844378981.db2.gz RBUWFEUQTQESRD-GFCCVEGCSA-N 2 2 295.387 0.410 20 0 CCADLP C[C@@H](C[C@H](C)[NH2+]CCCO)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134229820 838912909 /nfs/dbraw/zinc/91/29/09/838912909.db2.gz UOYOSLONIVBTQR-RYUDHWBXSA-N 2 2 282.388 0.598 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C(=O)N(C(N)=[NH2+])c1ccccc1F ZINC001185261260 844387290 /nfs/dbraw/zinc/38/72/90/844387290.db2.gz CHSURDHIEGVSOZ-LBPRGKRZSA-N 2 2 293.346 0.298 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C(=O)N(C(N)=[NH2+])c1ccccc1F ZINC001185261260 844387303 /nfs/dbraw/zinc/38/73/03/844387303.db2.gz CHSURDHIEGVSOZ-LBPRGKRZSA-N 2 2 293.346 0.298 20 0 CCADLP C[C@@H](CC(=O)NCC[NH2+]CCn1cccn1)n1cc[nH+]c1 ZINC001134499028 838994433 /nfs/dbraw/zinc/99/44/33/838994433.db2.gz UTGSPMAYXPDMDR-ZDUSSCGKSA-N 2 2 290.371 0.437 20 0 CCADLP Cc1nc(N[C@H]2C[NH2+]C[C@H]2CO)c2c([nH+]1)CCCC2 ZINC001170777587 839103686 /nfs/dbraw/zinc/10/36/86/839103686.db2.gz RHMGNWDMZGEKMX-GWCFXTLKSA-N 2 2 262.357 0.656 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@H]1Nc1cc[nH+]c(OC2CCOCC2)c1 ZINC001170787870 839148268 /nfs/dbraw/zinc/14/82/68/839148268.db2.gz GLDGYAJYEYBSFH-SMDDNHRTSA-N 2 2 293.367 0.632 20 0 CCADLP COCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135552804 839290582 /nfs/dbraw/zinc/29/05/82/839290582.db2.gz KQFNRCGQYRTOFO-NWDGAFQWSA-N 2 2 282.388 0.862 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1C[NH2+]CCO ZINC001185502292 844426208 /nfs/dbraw/zinc/42/62/08/844426208.db2.gz LJEBHULTWILMTN-CHWSQXEVSA-N 2 2 294.399 0.029 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]Cc1cccc(F)c1 ZINC001135756102 839385203 /nfs/dbraw/zinc/38/52/03/839385203.db2.gz WGWALENROCLDBV-UHFFFAOYSA-N 2 2 276.315 0.997 20 0 CCADLP CCOCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135799885 839420200 /nfs/dbraw/zinc/42/02/00/839420200.db2.gz YZNHNQAPDAUQQS-RYUDHWBXSA-N 2 2 282.388 0.862 20 0 CCADLP COCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001136056395 839509564 /nfs/dbraw/zinc/50/95/64/839509564.db2.gz SUJTWRFPASNEGF-CHWSQXEVSA-N 2 2 296.415 0.872 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246129007 839636046 /nfs/dbraw/zinc/63/60/46/839636046.db2.gz OHHWVAZLYOATOR-SRVKXCTJSA-N 2 2 269.389 0.400 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[N@@H+](CCC2CC2)C[C@H]1O ZINC001090600978 839665379 /nfs/dbraw/zinc/66/53/79/839665379.db2.gz NOXKKXUMRIWOHM-ZIAGYGMSSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[N@H+](CCC2CC2)C[C@H]1O ZINC001090600978 839665386 /nfs/dbraw/zinc/66/53/86/839665386.db2.gz NOXKKXUMRIWOHM-ZIAGYGMSSA-N 2 2 292.383 0.304 20 0 CCADLP CCCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001090678438 839731597 /nfs/dbraw/zinc/73/15/97/839731597.db2.gz HALWWXZRGZZOAW-NEPJUHHUSA-N 2 2 280.372 0.304 20 0 CCADLP CCCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001090678438 839731605 /nfs/dbraw/zinc/73/16/05/839731605.db2.gz HALWWXZRGZZOAW-NEPJUHHUSA-N 2 2 280.372 0.304 20 0 CCADLP [NH3+]Cc1nccnc1Nc1ncc2c(n1)CC[NH2+]C2 ZINC001160245863 839736305 /nfs/dbraw/zinc/73/63/05/839736305.db2.gz IACWPQGLJWVVNN-UHFFFAOYSA-N 2 2 257.301 0.115 20 0 CCADLP CCCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001090765144 839792388 /nfs/dbraw/zinc/79/23/88/839792388.db2.gz VHKVEULJCRUOBE-OCCSQVGLSA-N 2 2 294.399 0.612 20 0 CCADLP CCCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H](O)C1 ZINC001090765144 839792390 /nfs/dbraw/zinc/79/23/90/839792390.db2.gz VHKVEULJCRUOBE-OCCSQVGLSA-N 2 2 294.399 0.612 20 0 CCADLP CC(C)OC(=O)CC[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCN1 ZINC001246497730 839877201 /nfs/dbraw/zinc/87/72/01/839877201.db2.gz PYTCYOBMNLOOOI-VXGBXAGGSA-N 2 2 257.378 0.258 20 0 CCADLP OC[C@H]1C[N@@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC(F)(F)C1 ZINC001246572365 840069948 /nfs/dbraw/zinc/06/99/48/840069948.db2.gz GUNFSJULWZQYDW-MNOVXSKESA-N 2 2 275.343 0.030 20 0 CCADLP OC[C@H]1C[N@H+]([C@H]2CCNC3(C[NH2+]C3)C2)CC(F)(F)C1 ZINC001246572365 840069956 /nfs/dbraw/zinc/06/99/56/840069956.db2.gz GUNFSJULWZQYDW-MNOVXSKESA-N 2 2 275.343 0.030 20 0 CCADLP CC(C)([NH3+])CNc1ccc(OCC[NH+]2CCOCC2)nc1 ZINC001171198094 840084006 /nfs/dbraw/zinc/08/40/06/840084006.db2.gz PBEBVEBSDXXIJW-UHFFFAOYSA-N 2 2 294.399 0.942 20 0 CCADLP C1[NH2+]CC12C[C@@H]([N@@H+]1CCC[C@]3(CCC[NH2+]3)CC1)CCN2 ZINC001246630342 840203732 /nfs/dbraw/zinc/20/37/32/840203732.db2.gz ILSVMYWMNYAMNT-LSDHHAIUSA-N 3 2 278.444 0.689 20 0 CCADLP C1[NH2+]CC12C[C@@H]([N@H+]1CCC[C@]3(CCC[NH2+]3)CC1)CCN2 ZINC001246630342 840203743 /nfs/dbraw/zinc/20/37/43/840203743.db2.gz ILSVMYWMNYAMNT-LSDHHAIUSA-N 3 2 278.444 0.689 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001186221922 844521885 /nfs/dbraw/zinc/52/18/85/844521885.db2.gz RIKOYGIECZYMER-VXGBXAGGSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001186221922 844521887 /nfs/dbraw/zinc/52/18/87/844521887.db2.gz RIKOYGIECZYMER-VXGBXAGGSA-N 2 2 280.372 0.161 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CCF)C[C@@]3(C)C2)C1 ZINC001091565588 840316218 /nfs/dbraw/zinc/31/62/18/840316218.db2.gz RGXSUZHINDFYML-IPYPFGDCSA-N 2 2 299.390 0.067 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](CCF)C[C@@]3(C)C2)C1 ZINC001091565588 840316225 /nfs/dbraw/zinc/31/62/25/840316225.db2.gz RGXSUZHINDFYML-IPYPFGDCSA-N 2 2 299.390 0.067 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](CCF)C[C@@]3(C)C2)C1 ZINC001091565588 840316245 /nfs/dbraw/zinc/31/62/45/840316245.db2.gz RGXSUZHINDFYML-IPYPFGDCSA-N 2 2 299.390 0.067 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](CCF)C[C@@]3(C)C2)C1 ZINC001091565588 840316262 /nfs/dbraw/zinc/31/62/62/840316262.db2.gz RGXSUZHINDFYML-IPYPFGDCSA-N 2 2 299.390 0.067 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC001149123232 840324174 /nfs/dbraw/zinc/32/41/74/840324174.db2.gz IWZFRVQFIPKBRT-ZYHUDNBSSA-N 2 2 280.372 0.534 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]C[C@H]1C[C@]12CCOC2 ZINC001149122729 840325511 /nfs/dbraw/zinc/32/55/11/840325511.db2.gz AJBGIBZWHSTRQK-DOMZBBRYSA-N 2 2 292.383 0.393 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)[C@H]2CCC[N@H+](C)C2)c1 ZINC001186362957 844542559 /nfs/dbraw/zinc/54/25/59/844542559.db2.gz XUMSNDBLSAELSL-NSHDSACASA-N 2 2 250.346 0.421 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)[C@H]2CCC[N@@H+](C)C2)c1 ZINC001186362957 844542562 /nfs/dbraw/zinc/54/25/62/844542562.db2.gz XUMSNDBLSAELSL-NSHDSACASA-N 2 2 250.346 0.421 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]Cc2ncccn2)C1 ZINC001186451268 844550399 /nfs/dbraw/zinc/55/03/99/844550399.db2.gz DYYILVTZBXLGGU-CYBMUJFWSA-N 2 2 291.399 0.509 20 0 CCADLP CCCCC[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147876975 840711912 /nfs/dbraw/zinc/71/19/12/840711912.db2.gz BAJBHAILTAPJSG-UHFFFAOYSA-N 2 2 252.362 0.859 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]C[C@@H]1C[C@]12CCOC2 ZINC001147877151 840712221 /nfs/dbraw/zinc/71/22/21/840712221.db2.gz DHTDNBJDTDPBHN-WFASDCNBSA-N 2 2 292.383 0.095 20 0 CCADLP COC[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186575870 844569603 /nfs/dbraw/zinc/56/96/03/844569603.db2.gz GULBCUUZINGLSK-WDEREUQCSA-N 2 2 266.345 0.178 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1ncc(C)cn1 ZINC001148638119 840873569 /nfs/dbraw/zinc/87/35/69/840873569.db2.gz DAIBJRXUHFWAOZ-UHFFFAOYSA-N 2 2 279.388 0.333 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1ncc(C)cn1 ZINC001148638119 840873578 /nfs/dbraw/zinc/87/35/78/840873578.db2.gz DAIBJRXUHFWAOZ-UHFFFAOYSA-N 2 2 279.388 0.333 20 0 CCADLP COCC[N@@H+]1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001092134406 840997242 /nfs/dbraw/zinc/99/72/42/840997242.db2.gz ZHXDTILNSBOMDM-DOMZBBRYSA-N 2 2 292.383 0.379 20 0 CCADLP COCC[N@H+]1C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001092134406 840997250 /nfs/dbraw/zinc/99/72/50/840997250.db2.gz ZHXDTILNSBOMDM-DOMZBBRYSA-N 2 2 292.383 0.379 20 0 CCADLP [NH3+]C[C@H]1CCC[N@@H+]1C[C@H]1CC2(CO1)CCOCC2 ZINC000712626653 841102041 /nfs/dbraw/zinc/10/20/41/841102041.db2.gz JEUBLYHIGYVDNN-CHWSQXEVSA-N 2 2 254.374 0.995 20 0 CCADLP [NH3+]C[C@H]1CCC[N@H+]1C[C@H]1CC2(CO1)CCOCC2 ZINC000712626653 841102045 /nfs/dbraw/zinc/10/20/45/841102045.db2.gz JEUBLYHIGYVDNN-CHWSQXEVSA-N 2 2 254.374 0.995 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCCNc1cc(C)[nH+]c(C)n1 ZINC001093642246 841382017 /nfs/dbraw/zinc/38/20/17/841382017.db2.gz RVAHJNQNUHMURW-UHFFFAOYSA-N 2 2 288.355 0.827 20 0 CCADLP COC(=O)[C@H](C[NH3+])C[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171623195 841743059 /nfs/dbraw/zinc/74/30/59/841743059.db2.gz OABXQACKOPLOEQ-LLVKDONJSA-N 3 2 285.432 0.975 20 0 CCADLP CC[C@H](C[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1)OC ZINC001204075767 841771130 /nfs/dbraw/zinc/77/11/30/841771130.db2.gz DUJJWPVLGXMSCQ-CQSZACIVSA-N 2 2 294.399 0.889 20 0 CCADLP COCCC[NH+]1CCC([N@@H+]2CC[C@](F)(CO)C2)CC1 ZINC001172252700 841914109 /nfs/dbraw/zinc/91/41/09/841914109.db2.gz RQQFRNOYTOYGPU-CQSZACIVSA-N 2 2 274.380 0.894 20 0 CCADLP COCCC[NH+]1CCC([N@H+]2CC[C@](F)(CO)C2)CC1 ZINC001172252700 841914115 /nfs/dbraw/zinc/91/41/15/841914115.db2.gz RQQFRNOYTOYGPU-CQSZACIVSA-N 2 2 274.380 0.894 20 0 CCADLP COC(=O)N1CCC(n2cc[nH+]c2CC[NH3+])CC1 ZINC001172732702 841957853 /nfs/dbraw/zinc/95/78/53/841957853.db2.gz VVJUKVCOZWSTAN-UHFFFAOYSA-N 2 2 252.318 0.788 20 0 CCADLP COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2COC[C@H]2[NH3+])CC1 ZINC001172773251 841973368 /nfs/dbraw/zinc/97/33/68/841973368.db2.gz RNZQJBGWILIHOH-DDHJBXDOSA-N 2 2 256.346 0.424 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([NH2+]CCn2cc[nH+]c2)C[C@@H]1C(=O)OC ZINC001173563113 842100344 /nfs/dbraw/zinc/10/03/44/842100344.db2.gz WPDPYRXQPXLYNW-CNDDSTCGSA-N 2 2 295.339 0.214 20 0 CCADLP c1nnn([C@H]2CCC[C@@H]([NH2+]CC[NH+]3CCCC3)C2)n1 ZINC001173736891 842136482 /nfs/dbraw/zinc/13/64/82/842136482.db2.gz JQWWEYQALAHWHJ-OLZOCXBDSA-N 2 2 264.377 0.842 20 0 CCADLP Cn1cc[nH+]c1CC[NH2+][C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173755583 842149888 /nfs/dbraw/zinc/14/98/88/842149888.db2.gz ZUMOSXPAMICRTK-NWDGAFQWSA-N 2 2 275.360 0.723 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCCC[NH2+]Cc1ncccn1 ZINC001176125589 842331031 /nfs/dbraw/zinc/33/10/31/842331031.db2.gz FOHXPCVQDSWHAW-UHFFFAOYSA-N 2 2 288.355 0.278 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001176829745 842415466 /nfs/dbraw/zinc/41/54/66/842415466.db2.gz ZIACEEWAEAREJE-OKILXGFUSA-N 2 2 290.367 0.274 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001176829745 842415473 /nfs/dbraw/zinc/41/54/73/842415473.db2.gz ZIACEEWAEAREJE-OKILXGFUSA-N 2 2 290.367 0.274 20 0 CCADLP COCC[NH2+]CCCNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001177064325 842498734 /nfs/dbraw/zinc/49/87/34/842498734.db2.gz MYUGNVNYFOTBSU-AWEZNQCLSA-N 2 2 294.399 0.427 20 0 CCADLP CCOCC[NH2+]CCCNC(=O)CCCn1cc[nH+]c1 ZINC001177351491 842562514 /nfs/dbraw/zinc/56/25/14/842562514.db2.gz FEDVEPKMJNXPQU-UHFFFAOYSA-N 2 2 282.388 0.796 20 0 CCADLP C[C@@H]([NH2+]CCCNC(=O)Cn1cc[nH+]c1)c1csnn1 ZINC001177406549 842580581 /nfs/dbraw/zinc/58/05/81/842580581.db2.gz ZTVKMEJWNVXUPD-SNVBAGLBSA-N 2 2 294.384 0.592 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]C/C=C\Cl ZINC001177414876 842586950 /nfs/dbraw/zinc/58/69/50/842586950.db2.gz JWFAALQMNIWCMA-IWQZZHSRSA-N 2 2 256.737 0.732 20 0 CCADLP C[C@@H](O)C[NH2+]CCCCCCNC(=O)CCn1cc[nH+]c1 ZINC001179175770 842973214 /nfs/dbraw/zinc/97/32/14/842973214.db2.gz BVSOHBJLCUIERE-CQSZACIVSA-N 2 2 296.415 0.920 20 0 CCADLP C[C@H](CC(=O)N1CCC(C[NH2+]CCO)CC1)n1cc[nH+]c1 ZINC001206427767 843267616 /nfs/dbraw/zinc/26/76/16/843267616.db2.gz KWGYBATZPBSKDL-CYBMUJFWSA-N 2 2 294.399 0.655 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)C12CC[NH+](CC1)CC2 ZINC001181551279 843522424 /nfs/dbraw/zinc/52/24/24/843522424.db2.gz ATQJTWYZLZNVHU-UHFFFAOYSA-N 2 2 292.383 0.632 20 0 CCADLP C[NH+]1CCC(C)(C(=O)N2CCc3[nH+]ccn3CC2)CC1 ZINC001181985286 843663214 /nfs/dbraw/zinc/66/32/14/843663214.db2.gz UWNZYHAKPBZAMR-UHFFFAOYSA-N 2 2 276.384 1.000 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001181996461 843668413 /nfs/dbraw/zinc/66/84/13/843668413.db2.gz JWXIOFWPIFABHF-CQSZACIVSA-N 2 2 295.427 0.842 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001181996461 843668421 /nfs/dbraw/zinc/66/84/21/843668421.db2.gz JWXIOFWPIFABHF-CQSZACIVSA-N 2 2 295.427 0.842 20 0 CCADLP Cc1ccn2c(C[N@@H+]3C[C@H](O)[C@@H](C[NH3+])C3)cnc2c1 ZINC001206512588 843822832 /nfs/dbraw/zinc/82/28/32/843822832.db2.gz QAXLRHKQBNJUKY-AAEUAGOBSA-N 2 2 260.341 0.394 20 0 CCADLP Cc1ccn2c(C[N@H+]3C[C@H](O)[C@@H](C[NH3+])C3)cnc2c1 ZINC001206512588 843822834 /nfs/dbraw/zinc/82/28/34/843822834.db2.gz QAXLRHKQBNJUKY-AAEUAGOBSA-N 2 2 260.341 0.394 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](CCc2cc(F)c(F)cc2F)C[C@@H]1O ZINC001206513235 843828739 /nfs/dbraw/zinc/82/87/39/843828739.db2.gz ZYSRSFVJYSRRCF-ZANVPECISA-N 2 2 274.286 0.898 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CCc2cc(F)c(F)cc2F)C[C@@H]1O ZINC001206513235 843828747 /nfs/dbraw/zinc/82/87/47/843828747.db2.gz ZYSRSFVJYSRRCF-ZANVPECISA-N 2 2 274.286 0.898 20 0 CCADLP CCOc1cc(O)cc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206530555 843872192 /nfs/dbraw/zinc/87/21/92/843872192.db2.gz LPBLNCMZYLJZOT-FZMZJTMJSA-N 2 2 266.341 0.542 20 0 CCADLP CCOc1cc(O)cc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206530555 843872201 /nfs/dbraw/zinc/87/22/01/843872201.db2.gz LPBLNCMZYLJZOT-FZMZJTMJSA-N 2 2 266.341 0.542 20 0 CCADLP CC[N@H+](C)C(C)(C)C(=O)N1CC[NH+]([C@@H](C)COC)CC1 ZINC000152664625 843956278 /nfs/dbraw/zinc/95/62/78/843956278.db2.gz BRMGHTIIIPFAIM-ZDUSSCGKSA-N 2 2 285.432 0.896 20 0 CCADLP CC[N@@H+](C)C(C)(C)C(=O)N1CC[NH+]([C@@H](C)COC)CC1 ZINC000152664625 843956280 /nfs/dbraw/zinc/95/62/80/843956280.db2.gz BRMGHTIIIPFAIM-ZDUSSCGKSA-N 2 2 285.432 0.896 20 0 CCADLP CC(C)[C@H](C(=O)NCC[NH+]1CC2(COC2)C1)[NH+](C)C ZINC001183364887 844008756 /nfs/dbraw/zinc/00/87/56/844008756.db2.gz CPQDBRTUPSCGHS-GFCCVEGCSA-N 2 2 269.389 0.021 20 0 CCADLP COC[C@H](C)[NH2+][C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001187091597 844649920 /nfs/dbraw/zinc/64/99/20/844649920.db2.gz IXNULINPVBYHKX-NWDGAFQWSA-N 2 2 294.399 0.913 20 0 CCADLP C[N@H+](CCCO)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001190556612 845426667 /nfs/dbraw/zinc/42/66/67/845426667.db2.gz HUMOUEAIHNFKLP-ZDUSSCGKSA-N 2 2 280.372 0.257 20 0 CCADLP C[N@@H+](CCCO)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001190556612 845426674 /nfs/dbraw/zinc/42/66/74/845426674.db2.gz HUMOUEAIHNFKLP-ZDUSSCGKSA-N 2 2 280.372 0.257 20 0 CCADLP C[N@H+](CCCO)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001190556612 845426684 /nfs/dbraw/zinc/42/66/84/845426684.db2.gz HUMOUEAIHNFKLP-ZDUSSCGKSA-N 2 2 280.372 0.257 20 0 CCADLP C[N@@H+](CCCO)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001190556612 845426688 /nfs/dbraw/zinc/42/66/88/845426688.db2.gz HUMOUEAIHNFKLP-ZDUSSCGKSA-N 2 2 280.372 0.257 20 0 CCADLP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001193996922 846202831 /nfs/dbraw/zinc/20/28/31/846202831.db2.gz HQSFBBOMOJBVIE-HZSPNIEDSA-N 2 2 294.399 0.652 20 0 CCADLP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001193996922 846202836 /nfs/dbraw/zinc/20/28/36/846202836.db2.gz HQSFBBOMOJBVIE-HZSPNIEDSA-N 2 2 294.399 0.652 20 0 CCADLP COCC[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194449217 846291358 /nfs/dbraw/zinc/29/13/58/846291358.db2.gz QUJCPAXODUETSZ-LBPRGKRZSA-N 2 2 266.345 0.062 20 0 CCADLP COCC[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194449217 846291368 /nfs/dbraw/zinc/29/13/68/846291368.db2.gz QUJCPAXODUETSZ-LBPRGKRZSA-N 2 2 266.345 0.062 20 0 CCADLP CCN(CC[NH2+]C[C@H]1CCCOC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001273681243 846344808 /nfs/dbraw/zinc/34/48/08/846344808.db2.gz PGPKPBMESPDVFQ-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP C[NH+](C)CCC[N@@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001273711424 846679408 /nfs/dbraw/zinc/67/94/08/846679408.db2.gz DBDCTROLLKAKCA-MRXNPFEDSA-N 3 2 296.459 0.567 20 0 CCADLP C[NH+](C)CCC[N@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001273711424 846679416 /nfs/dbraw/zinc/67/94/16/846679416.db2.gz DBDCTROLLKAKCA-MRXNPFEDSA-N 3 2 296.459 0.567 20 0 CCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O)[NH+](C)C ZINC001196276480 846721399 /nfs/dbraw/zinc/72/13/99/846721399.db2.gz QXPFSFMFDIWSBX-PGJFENIBSA-N 2 2 289.807 0.240 20 0 CCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O)[NH+](C)C ZINC001196276480 846721406 /nfs/dbraw/zinc/72/14/06/846721406.db2.gz QXPFSFMFDIWSBX-PGJFENIBSA-N 2 2 289.807 0.240 20 0 CCADLP Cc1cc(C(=O)N2CC[NH+](C)CC2)nn1-c1cc[nH+]cc1 ZINC001197525597 846925681 /nfs/dbraw/zinc/92/56/81/846925681.db2.gz DDJSMOBVEJZVAB-UHFFFAOYSA-N 2 2 285.351 0.963 20 0 CCADLP CN1CC[C@]2(CCC[N@@H+]2C2CC[NH+](C)CC2)C1=O ZINC001273829774 847619385 /nfs/dbraw/zinc/61/93/85/847619385.db2.gz MYBIHGYMKPCSOY-CQSZACIVSA-N 2 2 251.374 0.777 20 0 CCADLP CN1CC[C@]2(CCC[N@H+]2C2CC[NH+](C)CC2)C1=O ZINC001273829774 847619391 /nfs/dbraw/zinc/61/93/91/847619391.db2.gz MYBIHGYMKPCSOY-CQSZACIVSA-N 2 2 251.374 0.777 20 0 CCADLP CCC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCCO1 ZINC001201104847 847721974 /nfs/dbraw/zinc/72/19/74/847721974.db2.gz VFTNDAHTGGYQNY-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP C[NH+]1CCN(c2cc(Nc3ccc(N)[nH+]c3)ncn2)CC1 ZINC001201275954 847758825 /nfs/dbraw/zinc/75/88/25/847758825.db2.gz NNNPEELCQMEQSG-UHFFFAOYSA-N 2 2 285.355 0.949 20 0 CCADLP COC[C@H](C)[NH2+]C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001201893165 847825705 /nfs/dbraw/zinc/82/57/05/847825705.db2.gz QAJIUJIKYCDKBM-ZDUSSCGKSA-N 2 2 294.399 0.889 20 0 CCADLP COC(=O)[C@@H](O)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC001252423465 847946918 /nfs/dbraw/zinc/94/69/18/847946918.db2.gz QPSBVWJHTMOXAI-LBPRGKRZSA-N 2 2 270.373 0.471 20 0 CCADLP CC[N@H+](CCO)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001154083225 848211657 /nfs/dbraw/zinc/21/16/57/848211657.db2.gz MQBXRDPTACDFKW-CHWSQXEVSA-N 2 2 294.399 0.264 20 0 CCADLP CC[N@@H+](CCO)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001154083225 848211666 /nfs/dbraw/zinc/21/16/66/848211666.db2.gz MQBXRDPTACDFKW-CHWSQXEVSA-N 2 2 294.399 0.264 20 0 CCADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000717317703 848227279 /nfs/dbraw/zinc/22/72/79/848227279.db2.gz MYHWBTUSHPPNMA-JOYOIKCWSA-N 2 2 274.311 0.510 20 0 CCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC[N@@H+](C3CC3)C2)OCC1=O ZINC001274017299 848305172 /nfs/dbraw/zinc/30/51/72/848305172.db2.gz POACCKGTAAETHV-HNNXBMFYSA-N 2 2 290.367 0.386 20 0 CCADLP Cn1c[nH+]cc1CN1C[C@@]2(CC[N@H+](C3CC3)C2)OCC1=O ZINC001274017299 848305178 /nfs/dbraw/zinc/30/51/78/848305178.db2.gz POACCKGTAAETHV-HNNXBMFYSA-N 2 2 290.367 0.386 20 0 CCADLP Cc1cc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CC[N@@H+](C)C2)no1 ZINC001274579186 848511647 /nfs/dbraw/zinc/51/16/47/848511647.db2.gz RNGQEQAIHUCCCE-DHCBQETCSA-N 2 2 292.383 0.697 20 0 CCADLP Cc1cc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CC[N@H+](C)C2)no1 ZINC001274579186 848511656 /nfs/dbraw/zinc/51/16/56/848511656.db2.gz RNGQEQAIHUCCCE-DHCBQETCSA-N 2 2 292.383 0.697 20 0 CCADLP C[C@H](C[NH2+]CC[C@H](C)F)NC(=O)Cc1[nH]cc[nH+]1 ZINC001274968589 848603968 /nfs/dbraw/zinc/60/39/68/848603968.db2.gz YRKLPLYXLVBLGK-VHSXEESVSA-N 2 2 256.325 0.795 20 0 CCADLP c1cn(CCN2C[C@@H]3CC[N@H+](C[C@H]4CCOC4)[C@@H]3C2)c[nH+]1 ZINC001275171241 848656029 /nfs/dbraw/zinc/65/60/29/848656029.db2.gz IXJHSJOCODRCEK-OWCLPIDISA-N 2 2 290.411 0.926 20 0 CCADLP c1cn(CCN2C[C@@H]3CC[N@@H+](C[C@H]4CCOC4)[C@@H]3C2)c[nH+]1 ZINC001275171241 848656032 /nfs/dbraw/zinc/65/60/32/848656032.db2.gz IXJHSJOCODRCEK-OWCLPIDISA-N 2 2 290.411 0.926 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001275573872 848764608 /nfs/dbraw/zinc/76/46/08/848764608.db2.gz JPPRGNQXOLXTAZ-WDEREUQCSA-N 2 2 268.361 0.160 20 0 CCADLP C[C@@H](O)C[N@H+](C)C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001275573872 848764585 /nfs/dbraw/zinc/76/45/85/848764585.db2.gz JPPRGNQXOLXTAZ-WDEREUQCSA-N 2 2 268.361 0.160 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001275573872 848764592 /nfs/dbraw/zinc/76/45/92/848764592.db2.gz JPPRGNQXOLXTAZ-WDEREUQCSA-N 2 2 268.361 0.160 20 0 CCADLP C[C@@H](O)C[N@H+](C)C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001275573872 848764602 /nfs/dbraw/zinc/76/46/02/848764602.db2.gz JPPRGNQXOLXTAZ-WDEREUQCSA-N 2 2 268.361 0.160 20 0 CCADLP CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001037117547 849336902 /nfs/dbraw/zinc/33/69/02/849336902.db2.gz PNYJCJWDFGQJHK-WCQYABFASA-N 2 2 264.373 0.857 20 0 CCADLP CC[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1[NH2+]CCO ZINC001037969367 849614217 /nfs/dbraw/zinc/61/42/17/849614217.db2.gz ONLIRBLBWYFVMN-QWHCGFSZSA-N 2 2 294.399 0.470 20 0 CCADLP CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1[NH2+]CCO ZINC001037996334 849629743 /nfs/dbraw/zinc/62/97/43/849629743.db2.gz KENIYCBQIHTMRX-CHWSQXEVSA-N 2 2 280.372 0.092 20 0 CCADLP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C(=O)NC(C)(C)C ZINC000380994186 849699420 /nfs/dbraw/zinc/69/94/20/849699420.db2.gz HHSBIROQMVEFRY-ASHHDVGLSA-N 2 2 265.401 0.876 20 0 CCADLP C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)C(=O)N1CCCC1 ZINC000381080701 849709000 /nfs/dbraw/zinc/70/90/00/849709000.db2.gz UOERBZHAOIFWPR-VZKILSJISA-N 2 2 263.385 0.583 20 0 CCADLP O=C(NC[C@H]1CC[N@H+]1CCCF)[C@@H]1CCc2[nH+]ccn2C1 ZINC001038424972 849892647 /nfs/dbraw/zinc/89/26/47/849892647.db2.gz XGIVQRSKKWVDNL-CHWSQXEVSA-N 2 2 294.374 0.996 20 0 CCADLP O=C(NC[C@H]1CC[N@@H+]1CCCF)[C@@H]1CCc2[nH+]ccn2C1 ZINC001038424972 849892651 /nfs/dbraw/zinc/89/26/51/849892651.db2.gz XGIVQRSKKWVDNL-CHWSQXEVSA-N 2 2 294.374 0.996 20 0 CCADLP O=C(NC[C@H]1CC[N@H+]1CCCO)[C@@H]1CCc2c[nH+]cn2C1 ZINC001038424443 849893263 /nfs/dbraw/zinc/89/32/63/849893263.db2.gz PPKJSLNRSUKYNC-TZMCWYRMSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(NC[C@H]1CC[N@@H+]1CCCO)[C@@H]1CCc2c[nH+]cn2C1 ZINC001038424443 849893271 /nfs/dbraw/zinc/89/32/71/849893271.db2.gz PPKJSLNRSUKYNC-TZMCWYRMSA-N 2 2 292.383 0.018 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001038462208 849913370 /nfs/dbraw/zinc/91/33/70/849913370.db2.gz KVPFNNFHGHTIHF-WCQYABFASA-N 2 2 288.351 0.519 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001038462208 849913376 /nfs/dbraw/zinc/91/33/76/849913376.db2.gz KVPFNNFHGHTIHF-WCQYABFASA-N 2 2 288.351 0.519 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCCF)C1 ZINC001039046232 850136628 /nfs/dbraw/zinc/13/66/28/850136628.db2.gz LGEFBVFZZDUWBD-QWHCGFSZSA-N 2 2 287.379 0.257 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2CC[NH+]2CCCF)C1 ZINC001039046232 850136633 /nfs/dbraw/zinc/13/66/33/850136633.db2.gz LGEFBVFZZDUWBD-QWHCGFSZSA-N 2 2 287.379 0.257 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2CCCF)C1 ZINC001039046232 850136640 /nfs/dbraw/zinc/13/66/40/850136640.db2.gz LGEFBVFZZDUWBD-QWHCGFSZSA-N 2 2 287.379 0.257 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2CC[N@H+]2CCCF)C1 ZINC001039046232 850136644 /nfs/dbraw/zinc/13/66/44/850136644.db2.gz LGEFBVFZZDUWBD-QWHCGFSZSA-N 2 2 287.379 0.257 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]Cc2cnc3n2CCOC3)CC[N@@H+]1C ZINC000722820196 850159106 /nfs/dbraw/zinc/15/91/06/850159106.db2.gz HYGDBEBZLQUATO-VXGBXAGGSA-N 2 2 264.373 0.986 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]Cc2cnc3n2CCOC3)CC[N@H+]1C ZINC000722820196 850159108 /nfs/dbraw/zinc/15/91/08/850159108.db2.gz HYGDBEBZLQUATO-VXGBXAGGSA-N 2 2 264.373 0.986 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001043070092 850807302 /nfs/dbraw/zinc/80/73/02/850807302.db2.gz IYHKJNXQUDHTRE-UKRRQHHQSA-N 2 2 295.427 0.792 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001043070092 850807314 /nfs/dbraw/zinc/80/73/14/850807314.db2.gz IYHKJNXQUDHTRE-UKRRQHHQSA-N 2 2 295.427 0.792 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001043872872 850947225 /nfs/dbraw/zinc/94/72/25/850947225.db2.gz AEDFHYYMSCGOOH-OLZOCXBDSA-N 2 2 283.416 0.506 20 0 CCADLP COC[C@@H](C)[NH+]1CC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001043875735 850955324 /nfs/dbraw/zinc/95/53/24/850955324.db2.gz MUUDVVWWELYRCA-QWHCGFSZSA-N 2 2 283.416 0.506 20 0 CCADLP COC[C@@H](C)[NH+]1CC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001043875735 850955330 /nfs/dbraw/zinc/95/53/30/850955330.db2.gz MUUDVVWWELYRCA-QWHCGFSZSA-N 2 2 283.416 0.506 20 0 CCADLP C[C@@H](O)C[NH+]1CC(N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001044003788 850983552 /nfs/dbraw/zinc/98/35/52/850983552.db2.gz SPFLJPYYZXMYLR-KGLIPLIRSA-N 2 2 297.443 0.774 20 0 CCADLP CC[NH+]1CC(N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001044086207 851007246 /nfs/dbraw/zinc/00/72/46/851007246.db2.gz QNTULCZRZBBPEH-UHFFFAOYSA-N 2 2 253.390 0.881 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC001044758268 851152788 /nfs/dbraw/zinc/15/27/88/851152788.db2.gz YENCBHZCSJUDKG-WDEREUQCSA-N 2 2 250.346 0.941 20 0 CCADLP CC(C)[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001044975233 851199171 /nfs/dbraw/zinc/19/91/71/851199171.db2.gz WKRGOAOLMGBAKD-STQMWFEESA-N 2 2 269.389 0.306 20 0 CCADLP CC(C)[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001044975233 851199177 /nfs/dbraw/zinc/19/91/77/851199177.db2.gz WKRGOAOLMGBAKD-STQMWFEESA-N 2 2 269.389 0.306 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CCF)C1 ZINC001045742112 851305705 /nfs/dbraw/zinc/30/57/05/851305705.db2.gz SGUPREKPZFTGNS-RDBSUJKOSA-N 2 2 299.390 0.352 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CCF)C1 ZINC001045742112 851305708 /nfs/dbraw/zinc/30/57/08/851305708.db2.gz SGUPREKPZFTGNS-RDBSUJKOSA-N 2 2 299.390 0.352 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3CCF)C1 ZINC001045742112 851305714 /nfs/dbraw/zinc/30/57/14/851305714.db2.gz SGUPREKPZFTGNS-RDBSUJKOSA-N 2 2 299.390 0.352 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCF)C1 ZINC001045742112 851305717 /nfs/dbraw/zinc/30/57/17/851305717.db2.gz SGUPREKPZFTGNS-RDBSUJKOSA-N 2 2 299.390 0.352 20 0 CCADLP CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001046088399 851365953 /nfs/dbraw/zinc/36/59/53/851365953.db2.gz MSAMZUBBVKVAQH-AWEZNQCLSA-N 2 2 291.399 0.122 20 0 CCADLP CC[N@H+]1CC[C@H](N2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001046088399 851365961 /nfs/dbraw/zinc/36/59/61/851365961.db2.gz MSAMZUBBVKVAQH-AWEZNQCLSA-N 2 2 291.399 0.122 20 0 CCADLP C[C@@H](CNC(=O)C[C@]1(O)CCC[N@H+](C)C1)Cn1cc[nH+]c1 ZINC000900787644 851513648 /nfs/dbraw/zinc/51/36/48/851513648.db2.gz QTXFJFKGISYBNZ-DZGCQCFKSA-N 2 2 294.399 0.482 20 0 CCADLP C[C@@H](CNC(=O)C[C@]1(O)CCC[N@@H+](C)C1)Cn1cc[nH+]c1 ZINC000900787644 851513650 /nfs/dbraw/zinc/51/36/50/851513650.db2.gz QTXFJFKGISYBNZ-DZGCQCFKSA-N 2 2 294.399 0.482 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCO ZINC001049847744 852387141 /nfs/dbraw/zinc/38/71/41/852387141.db2.gz GEMFBTUZOLAOSP-KGLIPLIRSA-N 2 2 292.383 0.020 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCO ZINC001049847744 852387144 /nfs/dbraw/zinc/38/71/44/852387144.db2.gz GEMFBTUZOLAOSP-KGLIPLIRSA-N 2 2 292.383 0.020 20 0 CCADLP [NH3+][C@H]1CC[C@H]([N@H+](C2COC2)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001254325448 852527181 /nfs/dbraw/zinc/52/71/81/852527181.db2.gz WBRCUMURKBJEDZ-SRVKXCTJSA-N 2 2 288.413 0.144 20 0 CCADLP [NH3+][C@H]1CC[C@H]([N@@H+](C2COC2)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001254325448 852527186 /nfs/dbraw/zinc/52/71/86/852527186.db2.gz WBRCUMURKBJEDZ-SRVKXCTJSA-N 2 2 288.413 0.144 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCC[N@@H+](CCCO)CC1 ZINC001052749964 852650930 /nfs/dbraw/zinc/65/09/30/852650930.db2.gz DKIMOFTWRMHIRU-LBPRGKRZSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCC[N@H+](CCCO)CC1 ZINC001052749964 852650935 /nfs/dbraw/zinc/65/09/35/852650935.db2.gz DKIMOFTWRMHIRU-LBPRGKRZSA-N 2 2 280.372 0.305 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1C[NH+]3CCC1CC3)CCO2 ZINC001053254537 852720710 /nfs/dbraw/zinc/72/07/10/852720710.db2.gz KZLMREXTNBNMJF-CQSZACIVSA-N 2 2 293.411 0.261 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2COC3(C[NH+](CCCF)C3)C2)C1 ZINC001054007865 852866749 /nfs/dbraw/zinc/86/67/49/852866749.db2.gz NKIDBJGEJXDPQC-STQMWFEESA-N 2 2 299.390 0.257 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)N[C@@H]2COC3(C[NH+](CCCF)C3)C2)C1 ZINC001054007865 852866751 /nfs/dbraw/zinc/86/67/51/852866751.db2.gz NKIDBJGEJXDPQC-STQMWFEESA-N 2 2 299.390 0.257 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1COC2(C[NH+](C(C)C)C2)C1 ZINC001054007159 852867189 /nfs/dbraw/zinc/86/71/89/852867189.db2.gz YLZWNYHUEHVRSP-CYBMUJFWSA-N 2 2 292.383 0.559 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N2C[C@H]([NH2+]CCO)[C@@H](C)C2)c[nH+]1 ZINC001054791812 853015851 /nfs/dbraw/zinc/01/58/51/853015851.db2.gz WMRUFZRWYWCCJB-AAEUAGOBSA-N 2 2 294.399 0.355 20 0 CCADLP C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1[NH2+]CCO ZINC001054899015 853033677 /nfs/dbraw/zinc/03/36/77/853033677.db2.gz VKOXIGLRUDOMCO-VXGBXAGGSA-N 2 2 288.351 0.377 20 0 CCADLP CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001050921099 853486710 /nfs/dbraw/zinc/48/67/10/853486710.db2.gz OCWKPSLABJOWGZ-GJZGRUSLSA-N 2 2 295.427 0.555 20 0 CCADLP CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001050921099 853486714 /nfs/dbraw/zinc/48/67/14/853486714.db2.gz OCWKPSLABJOWGZ-GJZGRUSLSA-N 2 2 295.427 0.555 20 0 CCADLP CCC[N@@H+]1CCOC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001051099574 853523796 /nfs/dbraw/zinc/52/37/96/853523796.db2.gz ZMTHPIYTHIZFOE-CQSZACIVSA-N 2 2 283.416 0.555 20 0 CCADLP CCC[N@H+]1CCOC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001051099574 853523799 /nfs/dbraw/zinc/52/37/99/853523799.db2.gz ZMTHPIYTHIZFOE-CQSZACIVSA-N 2 2 283.416 0.555 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2COCC[NH+]2CCCF)C1 ZINC001051241138 853552931 /nfs/dbraw/zinc/55/29/31/853552931.db2.gz KTSPMIIBNIZFGI-OLZOCXBDSA-N 2 2 287.379 0.115 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2COCC[NH+]2CCCF)C1 ZINC001051241138 853552939 /nfs/dbraw/zinc/55/29/39/853552939.db2.gz KTSPMIIBNIZFGI-OLZOCXBDSA-N 2 2 287.379 0.115 20 0 CCADLP C[NH+]1CC[C@@H](C(=O)NC[C@H]2COCC[N@@H+]2CCCF)C1 ZINC001051241138 853552948 /nfs/dbraw/zinc/55/29/48/853552948.db2.gz KTSPMIIBNIZFGI-OLZOCXBDSA-N 2 2 287.379 0.115 20 0 CCADLP C[NH+]1CC[C@@H](C(=O)NC[C@H]2COCC[N@H+]2CCCF)C1 ZINC001051241138 853552951 /nfs/dbraw/zinc/55/29/51/853552951.db2.gz KTSPMIIBNIZFGI-OLZOCXBDSA-N 2 2 287.379 0.115 20 0 CCADLP CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CCO1 ZINC001051678665 853623047 /nfs/dbraw/zinc/62/30/47/853623047.db2.gz UBFSWSIAARSRHJ-ZDUSSCGKSA-N 2 2 294.399 0.764 20 0 CCADLP CC[NH2+]CC1CC[NH+](C[C@H](O)C[N@H+](C)CCOC)CC1 ZINC000383941159 853864609 /nfs/dbraw/zinc/86/46/09/853864609.db2.gz XZGUSQQEQXMHCR-OAHLLOKOSA-N 3 2 287.448 0.247 20 0 CCADLP CC[NH2+]CC1CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)CC1 ZINC000383941159 853864611 /nfs/dbraw/zinc/86/46/11/853864611.db2.gz XZGUSQQEQXMHCR-OAHLLOKOSA-N 3 2 287.448 0.247 20 0 CCADLP COCCOCC[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000385721354 853899173 /nfs/dbraw/zinc/89/91/73/853899173.db2.gz NAMKPLGCFDUCON-ZDUSSCGKSA-N 2 2 260.378 0.038 20 0 CCADLP COCCOCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000385721354 853899177 /nfs/dbraw/zinc/89/91/77/853899177.db2.gz NAMKPLGCFDUCON-ZDUSSCGKSA-N 2 2 260.378 0.038 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1CC[NH3+] ZINC000388793904 853980694 /nfs/dbraw/zinc/98/06/94/853980694.db2.gz SFEIOOWXXUMOLU-UONOGXRCSA-N 3 2 273.421 0.129 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1CC[NH3+] ZINC000388793904 853980700 /nfs/dbraw/zinc/98/07/00/853980700.db2.gz SFEIOOWXXUMOLU-UONOGXRCSA-N 3 2 273.421 0.129 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000388793904 853980705 /nfs/dbraw/zinc/98/07/05/853980705.db2.gz SFEIOOWXXUMOLU-UONOGXRCSA-N 3 2 273.421 0.129 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000388793904 853980711 /nfs/dbraw/zinc/98/07/11/853980711.db2.gz SFEIOOWXXUMOLU-UONOGXRCSA-N 3 2 273.421 0.129 20 0 CCADLP COC[C@H](C)[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000151837100 854090206 /nfs/dbraw/zinc/09/02/06/854090206.db2.gz TUQLWEFEQCYNSB-KBPBESRZSA-N 2 2 285.432 0.752 20 0 CCADLP CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1[nH]cc[nH+]1)C[C@H](C)O2 ZINC001071224021 854138784 /nfs/dbraw/zinc/13/87/84/854138784.db2.gz YCVRJYYYQNMZMV-WFASDCNBSA-N 2 2 292.383 0.664 20 0 CCADLP CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1[nH]cc[nH+]1)C[C@H](C)O2 ZINC001071224021 854138790 /nfs/dbraw/zinc/13/87/90/854138790.db2.gz YCVRJYYYQNMZMV-WFASDCNBSA-N 2 2 292.383 0.664 20 0 CCADLP CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1[nH]cc[nH+]1)C[C@@H](C)O2 ZINC001071224019 854139029 /nfs/dbraw/zinc/13/90/29/854139029.db2.gz YCVRJYYYQNMZMV-IUODEOHRSA-N 2 2 292.383 0.664 20 0 CCADLP CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1[nH]cc[nH+]1)C[C@@H](C)O2 ZINC001071224019 854139034 /nfs/dbraw/zinc/13/90/34/854139034.db2.gz YCVRJYYYQNMZMV-IUODEOHRSA-N 2 2 292.383 0.664 20 0 CCADLP CCC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000396484732 854365536 /nfs/dbraw/zinc/36/55/36/854365536.db2.gz AIMXPNPXBQCJHK-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC2(C1)OCCO2 ZINC000396652658 854371790 /nfs/dbraw/zinc/37/17/90/854371790.db2.gz LNFCGCIWMZPBSK-UHFFFAOYSA-N 2 2 251.330 0.802 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCC2(C1)OCCO2 ZINC000396652658 854371795 /nfs/dbraw/zinc/37/17/95/854371795.db2.gz LNFCGCIWMZPBSK-UHFFFAOYSA-N 2 2 251.330 0.802 20 0 CCADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000396641469 854372206 /nfs/dbraw/zinc/37/22/06/854372206.db2.gz BDQHYOPLCVBQPW-KGLIPLIRSA-N 3 2 254.422 0.354 20 0 CCADLP C[C@@H]1C[C@H](C)[N@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@@H]1C[NH3+] ZINC000397392427 854417378 /nfs/dbraw/zinc/41/73/78/854417378.db2.gz YUNHBCKZWXNTFV-QPSCCSFWSA-N 3 2 269.433 0.748 20 0 CCADLP C[C@@H]1C[C@H](C)[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@@H]1C[NH3+] ZINC000397392427 854417385 /nfs/dbraw/zinc/41/73/85/854417385.db2.gz YUNHBCKZWXNTFV-QPSCCSFWSA-N 3 2 269.433 0.748 20 0 CCADLP COCC[N@@H+]1CCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001073151339 854537194 /nfs/dbraw/zinc/53/71/94/854537194.db2.gz HSKVHZABCSXOKV-UHFFFAOYSA-N 2 2 292.383 0.441 20 0 CCADLP COCC[N@H+]1CCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001073151339 854537200 /nfs/dbraw/zinc/53/72/00/854537200.db2.gz HSKVHZABCSXOKV-UHFFFAOYSA-N 2 2 292.383 0.441 20 0 CCADLP CC(C)[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001073486008 854565027 /nfs/dbraw/zinc/56/50/27/854565027.db2.gz MJXKBKATKDRSQW-UHFFFAOYSA-N 2 2 262.357 0.826 20 0 CCADLP CC(C)[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001073486008 854565021 /nfs/dbraw/zinc/56/50/21/854565021.db2.gz MJXKBKATKDRSQW-UHFFFAOYSA-N 2 2 262.357 0.826 20 0 CCADLP CC[N@@H+]1CCO[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC001074297921 854708469 /nfs/dbraw/zinc/70/84/69/854708469.db2.gz WRHBSNYDWZWKPL-KGLIPLIRSA-N 2 2 292.383 0.513 20 0 CCADLP CC[N@H+]1CCO[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC001074297921 854708476 /nfs/dbraw/zinc/70/84/76/854708476.db2.gz WRHBSNYDWZWKPL-KGLIPLIRSA-N 2 2 292.383 0.513 20 0 CCADLP CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001074581764 854752679 /nfs/dbraw/zinc/75/26/79/854752679.db2.gz NJOPGHCVIPVARF-AVGNSLFASA-N 2 2 269.389 0.306 20 0 CCADLP CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001074581764 854752687 /nfs/dbraw/zinc/75/26/87/854752687.db2.gz NJOPGHCVIPVARF-AVGNSLFASA-N 2 2 269.389 0.306 20 0 CCADLP C[C@H]1[C@@H]([NH2+]C[C@@H]2CCOC2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001075147681 854816880 /nfs/dbraw/zinc/81/68/80/854816880.db2.gz IGKKGXIDRJXPFF-IHRRRGAJSA-N 2 2 292.383 0.499 20 0 CCADLP CC(C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001098774170 854884647 /nfs/dbraw/zinc/88/46/47/854884647.db2.gz WDSYWSJCNNACTJ-DZKIICNBSA-N 2 2 295.427 0.696 20 0 CCADLP CC(C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001098774170 854884649 /nfs/dbraw/zinc/88/46/49/854884649.db2.gz WDSYWSJCNNACTJ-DZKIICNBSA-N 2 2 295.427 0.696 20 0 CCADLP CC(C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001098774170 854884651 /nfs/dbraw/zinc/88/46/51/854884651.db2.gz WDSYWSJCNNACTJ-DZKIICNBSA-N 2 2 295.427 0.696 20 0 CCADLP CC(C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001098774170 854884652 /nfs/dbraw/zinc/88/46/52/854884652.db2.gz WDSYWSJCNNACTJ-DZKIICNBSA-N 2 2 295.427 0.696 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCF)C3)C1 ZINC001098774404 854885209 /nfs/dbraw/zinc/88/52/09/854885209.db2.gz ZZMGMNRFXWRHMF-YDHLFZDLSA-N 2 2 299.390 0.257 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CCF)C3)C1 ZINC001098774404 854885220 /nfs/dbraw/zinc/88/52/20/854885220.db2.gz ZZMGMNRFXWRHMF-YDHLFZDLSA-N 2 2 299.390 0.257 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CCF)C3)C1 ZINC001098774404 854885227 /nfs/dbraw/zinc/88/52/27/854885227.db2.gz ZZMGMNRFXWRHMF-YDHLFZDLSA-N 2 2 299.390 0.257 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCF)C3)C1 ZINC001098774404 854885235 /nfs/dbraw/zinc/88/52/35/854885235.db2.gz ZZMGMNRFXWRHMF-YDHLFZDLSA-N 2 2 299.390 0.257 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC1CC([NH2+]CCCF)C1 ZINC001100789726 855225722 /nfs/dbraw/zinc/22/57/22/855225722.db2.gz IVUOADKKHVPDQM-UHFFFAOYSA-N 2 2 268.336 0.796 20 0 CCADLP CO[C@@H](C)C[NH2+]C1CC(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001100871384 855233521 /nfs/dbraw/zinc/23/35/21/855233521.db2.gz PCBMKNPOBJPZAS-HIFPTAJRSA-N 2 2 294.399 0.482 20 0 CCADLP C[C@@H]1C[N@H+](CCCO)C[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001102203999 855418344 /nfs/dbraw/zinc/41/83/44/855418344.db2.gz QYBJNSGRVXUKES-ZIAGYGMSSA-N 2 2 294.399 0.340 20 0 CCADLP C[C@@H]1C[N@@H+](CCCO)C[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001102203999 855418351 /nfs/dbraw/zinc/41/83/51/855418351.db2.gz QYBJNSGRVXUKES-ZIAGYGMSSA-N 2 2 294.399 0.340 20 0 CCADLP C[C@@H]1C[N@H+](CCCO)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102408052 855433777 /nfs/dbraw/zinc/43/37/77/855433777.db2.gz WXSMCBNVELCMRV-VXGBXAGGSA-N 2 2 280.372 0.019 20 0 CCADLP C[C@@H]1C[N@@H+](CCCO)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102408052 855433781 /nfs/dbraw/zinc/43/37/81/855433781.db2.gz WXSMCBNVELCMRV-VXGBXAGGSA-N 2 2 280.372 0.019 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H]2CCCS(=O)(=O)C2)CC[C@H]1[NH3+] ZINC001118197611 856196113 /nfs/dbraw/zinc/19/61/13/856196113.db2.gz VLKHQZVMONVNLB-GRYCIOLGSA-N 2 2 260.403 0.480 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)CC[C@H]1[NH3+] ZINC001118197611 856196115 /nfs/dbraw/zinc/19/61/15/856196115.db2.gz VLKHQZVMONVNLB-GRYCIOLGSA-N 2 2 260.403 0.480 20 0 CCADLP CC(=O)NCCCCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC001119772467 856872868 /nfs/dbraw/zinc/87/28/68/856872868.db2.gz ZVBBVDWKWYEWEK-UHFFFAOYSA-N 2 2 279.388 0.838 20 0 CCADLP CCO[C@H](CNC(=O)[C@@H](C)n1cc[nH+]c1)C[NH+](C)C ZINC001119902362 856915186 /nfs/dbraw/zinc/91/51/86/856915186.db2.gz QAYXBVULAPYTKG-VXGBXAGGSA-N 2 2 268.361 0.527 20 0 CCADLP CC[C@H](C[N@@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1)OC ZINC001392876848 912223799 /nfs/dbraw/zinc/22/37/99/912223799.db2.gz GSMNCNGQPFQCKK-CHWSQXEVSA-N 2 2 280.372 0.499 20 0 CCADLP CC[C@H](C[N@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1)OC ZINC001392876848 912223813 /nfs/dbraw/zinc/22/38/13/912223813.db2.gz GSMNCNGQPFQCKK-CHWSQXEVSA-N 2 2 280.372 0.499 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC1([NH2+]CCF)CC1 ZINC001323509472 912384639 /nfs/dbraw/zinc/38/46/39/912384639.db2.gz ZQSSHGIOIOLRPD-UHFFFAOYSA-N 2 2 254.309 0.481 20 0 CCADLP CC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001393351654 912527400 /nfs/dbraw/zinc/52/74/00/912527400.db2.gz ASBUAELTMIZJNR-OLZOCXBDSA-N 2 2 283.416 0.290 20 0 CCADLP COC[C@@H](C)[NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001393472245 912588566 /nfs/dbraw/zinc/58/85/66/912588566.db2.gz GMNIDIPPANGJOP-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001393522011 912625582 /nfs/dbraw/zinc/62/55/82/912625582.db2.gz PMRYYGVOZQTHTB-STQMWFEESA-N 2 2 271.405 0.554 20 0 CCADLP CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001393522011 912625593 /nfs/dbraw/zinc/62/55/93/912625593.db2.gz PMRYYGVOZQTHTB-STQMWFEESA-N 2 2 271.405 0.554 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1CNCc1ncc(C[NH+](C)C)s1 ZINC001324351884 912796636 /nfs/dbraw/zinc/79/66/36/912796636.db2.gz XBZBCEMPGQLYLV-GFCCVEGCSA-N 2 2 297.472 0.540 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1CNCc1ncc(C[NH+](C)C)s1 ZINC001324351884 912796647 /nfs/dbraw/zinc/79/66/47/912796647.db2.gz XBZBCEMPGQLYLV-GFCCVEGCSA-N 2 2 297.472 0.540 20 0 CCADLP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C)c1csnn1 ZINC001394523641 913240270 /nfs/dbraw/zinc/24/02/70/913240270.db2.gz VCGTZLCSXVHSCV-WDEREUQCSA-N 2 2 299.444 0.987 20 0 CCADLP CC(C)=CC[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001325308833 913335741 /nfs/dbraw/zinc/33/57/41/913335741.db2.gz RBSPJDRQARRQIF-ZDUSSCGKSA-N 2 2 281.400 0.067 20 0 CCADLP CC(C)=CC[NH+]1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001325308833 913335749 /nfs/dbraw/zinc/33/57/49/913335749.db2.gz RBSPJDRQARRQIF-ZDUSSCGKSA-N 2 2 281.400 0.067 20 0 CCADLP Cc1cc(C[NH+](C)CCNC(=O)C[N@@H+](C)C(C)C)on1 ZINC001418527503 891815845 /nfs/dbraw/zinc/81/58/45/891815845.db2.gz NRSJNLXOJVIWCZ-UHFFFAOYSA-N 2 2 282.388 0.871 20 0 CCADLP Cc1cc(C[NH+](C)CCNC(=O)C[N@H+](C)C(C)C)on1 ZINC001418527503 891815850 /nfs/dbraw/zinc/81/58/50/891815850.db2.gz NRSJNLXOJVIWCZ-UHFFFAOYSA-N 2 2 282.388 0.871 20 0 CCADLP Cc1cc(C[N@@H+](C)CCNC(=O)C[NH+](C)C(C)C)on1 ZINC001418527503 891815854 /nfs/dbraw/zinc/81/58/54/891815854.db2.gz NRSJNLXOJVIWCZ-UHFFFAOYSA-N 2 2 282.388 0.871 20 0 CCADLP Cc1cc(C[N@H+](C)CCNC(=O)C[NH+](C)C(C)C)on1 ZINC001418527503 891815859 /nfs/dbraw/zinc/81/58/59/891815859.db2.gz NRSJNLXOJVIWCZ-UHFFFAOYSA-N 2 2 282.388 0.871 20 0 CCADLP C[C@@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001481050366 892114125 /nfs/dbraw/zinc/11/41/25/892114125.db2.gz ODJMDDLLNXWUGU-CHWSQXEVSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001481050366 892114117 /nfs/dbraw/zinc/11/41/17/892114117.db2.gz ODJMDDLLNXWUGU-CHWSQXEVSA-N 2 2 280.372 0.235 20 0 CCADLP COCC[NH2+]CCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001481250784 892439625 /nfs/dbraw/zinc/43/96/25/892439625.db2.gz QEMCUSOKJSMVBD-GFCCVEGCSA-N 2 2 280.372 0.140 20 0 CCADLP CN(CC[NH2+]CCOC1CCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001481285231 892522704 /nfs/dbraw/zinc/52/27/04/892522704.db2.gz UZEMSJRXDLABPR-UHFFFAOYSA-N 2 2 280.372 0.569 20 0 CCADLP CN(CC[NH2+]Cc1ncccn1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001481301717 892551380 /nfs/dbraw/zinc/55/13/80/892551380.db2.gz BDYCHNUNEYEKEZ-ZDUSSCGKSA-N 2 2 291.399 0.366 20 0 CCADLP CN(CC[NH2+]Cc1ncccn1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001481301717 892551384 /nfs/dbraw/zinc/55/13/84/892551384.db2.gz BDYCHNUNEYEKEZ-ZDUSSCGKSA-N 2 2 291.399 0.366 20 0 CCADLP CC(C)COCC[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001481601669 892885257 /nfs/dbraw/zinc/88/52/57/892885257.db2.gz DNPBQFMKDKBXCR-ZDUSSCGKSA-N 2 2 283.416 0.411 20 0 CCADLP CC(C)COCC[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001481601669 892885270 /nfs/dbraw/zinc/88/52/70/892885270.db2.gz DNPBQFMKDKBXCR-ZDUSSCGKSA-N 2 2 283.416 0.411 20 0 CCADLP CC[C@H](F)C[NH+]1CC(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001481658836 892978236 /nfs/dbraw/zinc/97/82/36/892978236.db2.gz RZFHFGZYNZFSNU-ZDUSSCGKSA-N 2 2 282.363 0.988 20 0 CCADLP C[C@@H](CC[NH2+]C[C@@H]1CCOC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001482872144 894660775 /nfs/dbraw/zinc/66/07/75/894660775.db2.gz DVHLZHUFTNYNND-RYUDHWBXSA-N 2 2 280.372 0.473 20 0 CCADLP CCC[NH2+]CC[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001482891522 894675180 /nfs/dbraw/zinc/67/51/80/894675180.db2.gz UDAMWISDAUHVNT-LLVKDONJSA-N 2 2 252.362 0.857 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001326340362 913895895 /nfs/dbraw/zinc/89/58/95/913895895.db2.gz JJMIUEYDOBMNSL-NSHDSACASA-N 2 2 266.345 0.480 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001326340362 913895909 /nfs/dbraw/zinc/89/59/09/913895909.db2.gz JJMIUEYDOBMNSL-NSHDSACASA-N 2 2 266.345 0.480 20 0 CCADLP Cc1conc1C[NH2+]C/C=C\CNC(=O)CC[NH+](C)C ZINC001483053359 894854329 /nfs/dbraw/zinc/85/43/29/894854329.db2.gz DRXKOISRSLIYMG-PLNGDYQASA-N 2 2 280.372 0.697 20 0 CCADLP O=C1CC[C@@H](C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)O1 ZINC001328435725 915192796 /nfs/dbraw/zinc/19/27/96/915192796.db2.gz CKLCUDDJJVALGA-OLZOCXBDSA-N 2 2 268.357 0.223 20 0 CCADLP O=C1CC[C@@H](C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)O1 ZINC001328435725 915192803 /nfs/dbraw/zinc/19/28/03/915192803.db2.gz CKLCUDDJJVALGA-OLZOCXBDSA-N 2 2 268.357 0.223 20 0 CCADLP C[C@H](C(=O)N1CC[NH2+]C[C@H]1C(F)F)n1cc[nH+]c1 ZINC001326421841 913945559 /nfs/dbraw/zinc/94/55/59/913945559.db2.gz XQCDNTSUEPQEOT-BDAKNGLRSA-N 2 2 258.272 0.510 20 0 CCADLP C[C@@H](C[NH2+]Cc1csnn1)NC(=O)CC[NH+](C)C ZINC001483261717 895396049 /nfs/dbraw/zinc/39/60/49/895396049.db2.gz KRFIXKWYTLSNHC-VIFPVBQESA-N 2 2 271.390 0.084 20 0 CCADLP Cc1conc1C[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001483382229 895526320 /nfs/dbraw/zinc/52/63/20/895526320.db2.gz SUZBMEQXHOIGMU-GFCCVEGCSA-N 2 2 282.388 0.871 20 0 CCADLP Cc1conc1C[N@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001483382229 895526331 /nfs/dbraw/zinc/52/63/31/895526331.db2.gz SUZBMEQXHOIGMU-GFCCVEGCSA-N 2 2 282.388 0.871 20 0 CCADLP C[C@@H](C[NH2+][C@@H]1CCn2cc[nH+]c2C1)S(C)(=O)=O ZINC001326597281 914039066 /nfs/dbraw/zinc/03/90/66/914039066.db2.gz UHJNSYSYNULESH-VHSXEESVSA-N 2 2 257.359 0.221 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001397089566 914039852 /nfs/dbraw/zinc/03/98/52/914039852.db2.gz VTKMRGMMIBCPLE-SDDRHHMPSA-N 2 2 280.372 0.472 20 0 CCADLP CC[NH+]1CC(O)(CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001484284992 896320527 /nfs/dbraw/zinc/32/05/27/896320527.db2.gz ADTGQNSQCMMEJH-UHFFFAOYSA-N 2 2 297.443 0.824 20 0 CCADLP CC[NH+]1CC(O)(CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001484284992 896320541 /nfs/dbraw/zinc/32/05/41/896320541.db2.gz ADTGQNSQCMMEJH-UHFFFAOYSA-N 2 2 297.443 0.824 20 0 CCADLP COCCC[N@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001484415934 896386973 /nfs/dbraw/zinc/38/69/73/896386973.db2.gz VLUHKTCTUBBJGW-OKILXGFUSA-N 2 2 292.383 0.310 20 0 CCADLP COCCC[N@@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001484415934 896386990 /nfs/dbraw/zinc/38/69/90/896386990.db2.gz VLUHKTCTUBBJGW-OKILXGFUSA-N 2 2 292.383 0.310 20 0 CCADLP CCC[N@@H+]1CCOC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001484606833 896494204 /nfs/dbraw/zinc/49/42/04/896494204.db2.gz HTUVLAQDWIRSDO-CYBMUJFWSA-N 2 2 269.389 0.309 20 0 CCADLP CCC[N@H+]1CCOC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001484606833 896494206 /nfs/dbraw/zinc/49/42/06/896494206.db2.gz HTUVLAQDWIRSDO-CYBMUJFWSA-N 2 2 269.389 0.309 20 0 CCADLP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001484690298 896536949 /nfs/dbraw/zinc/53/69/49/896536949.db2.gz NEEWVJXTXOVVRB-AWEZNQCLSA-N 2 2 292.383 0.735 20 0 CCADLP CC[NH2+][C@]1(CO)CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001484857528 896637294 /nfs/dbraw/zinc/63/72/94/896637294.db2.gz YQSXFJRRYCQQOK-OAHLLOKOSA-N 2 2 294.399 0.650 20 0 CCADLP COCC[NH2+]CC1(NC(=O)Cn2cc[nH+]c2)CCCCC1 ZINC001485459514 897059098 /nfs/dbraw/zinc/05/90/98/897059098.db2.gz UOYDFRXCZVFDSR-UHFFFAOYSA-N 2 2 294.399 0.938 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCCCC[N@@H+]1CCO ZINC001485485165 897087128 /nfs/dbraw/zinc/08/71/28/897087128.db2.gz OMEOAHGJJPBDGB-ZDUSSCGKSA-N 2 2 294.399 0.614 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCCCC[N@H+]1CCO ZINC001485485165 897087147 /nfs/dbraw/zinc/08/71/47/897087147.db2.gz OMEOAHGJJPBDGB-ZDUSSCGKSA-N 2 2 294.399 0.614 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)C1C[NH+](CCF)C1 ZINC001485536555 897113116 /nfs/dbraw/zinc/11/31/16/897113116.db2.gz AONJDNWSMKZXRC-SNVBAGLBSA-N 2 2 268.336 0.598 20 0 CCADLP C[C@H](CCC[NH2+]CCF)NC(=O)Cn1cc[nH+]c1 ZINC001485750985 897226013 /nfs/dbraw/zinc/22/60/13/897226013.db2.gz GBJBIBULIUFPCG-LLVKDONJSA-N 2 2 256.325 0.727 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1C ZINC001326770456 914153422 /nfs/dbraw/zinc/15/34/22/914153422.db2.gz MZQAUYNPZHWBCS-QWRGUYRKSA-N 2 2 250.346 0.562 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1C ZINC001326770456 914153430 /nfs/dbraw/zinc/15/34/30/914153430.db2.gz MZQAUYNPZHWBCS-QWRGUYRKSA-N 2 2 250.346 0.562 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529327938 898011682 /nfs/dbraw/zinc/01/16/82/898011682.db2.gz SEBBQQWFMHHUCA-LLVKDONJSA-N 2 2 263.345 0.504 20 0 CCADLP CO[C@H](C)C[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001043098612 898048249 /nfs/dbraw/zinc/04/82/49/898048249.db2.gz CBEDGINTMZSSAR-TZMCWYRMSA-N 2 2 283.416 0.648 20 0 CCADLP CO[C@H](C)C[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001043098612 898048258 /nfs/dbraw/zinc/04/82/58/898048258.db2.gz CBEDGINTMZSSAR-TZMCWYRMSA-N 2 2 283.416 0.648 20 0 CCADLP CO[C@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1[nH]c[nH+]c1C ZINC001032753701 898088760 /nfs/dbraw/zinc/08/87/60/898088760.db2.gz JHAZFWLBHLOHCL-WXHSDQCUSA-N 2 2 292.383 0.581 20 0 CCADLP CO[C@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1[nH]c[nH+]c1C ZINC001032753701 898088767 /nfs/dbraw/zinc/08/87/67/898088767.db2.gz JHAZFWLBHLOHCL-WXHSDQCUSA-N 2 2 292.383 0.581 20 0 CCADLP COCCC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@@H]1C ZINC001486087613 898648438 /nfs/dbraw/zinc/64/84/38/898648438.db2.gz MZKATNJLNBRFPH-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP CN(C[C@@H](O)C[NH2+]CCC(C)(C)C)C(=O)Cc1c[nH+]c[nH]1 ZINC001486301649 898768423 /nfs/dbraw/zinc/76/84/23/898768423.db2.gz PTTMXLSQXOJLJY-ZDUSSCGKSA-N 2 2 296.415 0.797 20 0 CCADLP CN(C[C@H](O)C[NH2+]CC1CCCC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001486308499 898770865 /nfs/dbraw/zinc/77/08/65/898770865.db2.gz ZMOREGUQLWTBJK-CYBMUJFWSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](O)C[NH+]1CCC([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001486441094 898876658 /nfs/dbraw/zinc/87/66/58/898876658.db2.gz JTUGYSWMBFVKGP-VXGBXAGGSA-N 2 2 294.399 0.550 20 0 CCADLP CC1CC(C[NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001134397504 899833413 /nfs/dbraw/zinc/83/34/13/899833413.db2.gz PEGQQPQWCYSGQM-UHFFFAOYSA-N 2 2 250.346 0.704 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@H]1C ZINC001489314838 900464990 /nfs/dbraw/zinc/46/49/90/900464990.db2.gz YKQRKMQGFYHVDB-MJBXVCDLSA-N 2 2 294.399 0.623 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@H]1C ZINC001489314838 900464993 /nfs/dbraw/zinc/46/49/93/900464993.db2.gz YKQRKMQGFYHVDB-MJBXVCDLSA-N 2 2 294.399 0.623 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H](C)CC[NH+](C)C ZINC001412637754 901895934 /nfs/dbraw/zinc/89/59/34/901895934.db2.gz JINZECLFZNETDH-KBPBESRZSA-N 2 2 285.432 0.801 20 0 CCADLP C[C@@H](F)CC[NH2+]C[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001495812936 903066461 /nfs/dbraw/zinc/06/64/61/903066461.db2.gz JGHZHRLEWQGGEF-VXGBXAGGSA-N 2 2 270.352 0.973 20 0 CCADLP Cc1nc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)co1 ZINC001491416368 903565898 /nfs/dbraw/zinc/56/58/98/903565898.db2.gz ZWLYPJBPPHMGCP-GWCFXTLKSA-N 2 2 280.372 0.672 20 0 CCADLP Cc1nc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C)co1 ZINC001491416368 903565909 /nfs/dbraw/zinc/56/59/09/903565909.db2.gz ZWLYPJBPPHMGCP-GWCFXTLKSA-N 2 2 280.372 0.672 20 0 CCADLP CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001329474393 903795271 /nfs/dbraw/zinc/79/52/71/903795271.db2.gz JKAGTAWUDHWXGZ-RYUDHWBXSA-N 2 2 264.373 0.902 20 0 CCADLP CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001329474393 903795278 /nfs/dbraw/zinc/79/52/78/903795278.db2.gz JKAGTAWUDHWXGZ-RYUDHWBXSA-N 2 2 264.373 0.902 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001216387632 903858642 /nfs/dbraw/zinc/85/86/42/903858642.db2.gz JOZCDAGWDDAKIB-MBNYWOFBSA-N 2 2 294.399 0.434 20 0 CCADLP COCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001281458535 903915905 /nfs/dbraw/zinc/91/59/05/903915905.db2.gz UGIZAYNVYXYGAK-WDEREUQCSA-N 2 2 266.345 0.035 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001398656175 914768172 /nfs/dbraw/zinc/76/81/72/914768172.db2.gz BDRRNUKQCUDPGO-UTUOFQBUSA-N 2 2 280.372 0.234 20 0 CCADLP COCCC[NH2+][C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001281427621 904281545 /nfs/dbraw/zinc/28/15/45/904281545.db2.gz DBAPJUCFGVIZKT-KGLIPLIRSA-N 2 2 294.399 0.746 20 0 CCADLP CCOCC[NH+]1CC([C@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001282726352 904531958 /nfs/dbraw/zinc/53/19/58/904531958.db2.gz UEFIEWPZPWATOE-ZDUSSCGKSA-N 2 2 294.399 0.746 20 0 CCADLP COCCC[NH+]1CC([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001282742509 904537077 /nfs/dbraw/zinc/53/70/77/904537077.db2.gz UIEXERGWITXXTL-NSHDSACASA-N 2 2 280.372 0.425 20 0 CCADLP C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1cnsn1 ZINC001377284834 904749808 /nfs/dbraw/zinc/74/98/08/904749808.db2.gz YNGVJHWOIUTOGM-JQWIXIFHSA-N 2 2 297.428 0.426 20 0 CCADLP CCC[N@H+](CCF)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001377470911 904918775 /nfs/dbraw/zinc/91/87/75/904918775.db2.gz DMWSPLADJIMPDO-LBPRGKRZSA-N 2 2 275.368 0.115 20 0 CCADLP CCC[N@@H+](CCF)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001377470911 904918785 /nfs/dbraw/zinc/91/87/85/904918785.db2.gz DMWSPLADJIMPDO-LBPRGKRZSA-N 2 2 275.368 0.115 20 0 CCADLP CCC[NH+](CCF)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001377470911 904918796 /nfs/dbraw/zinc/91/87/96/904918796.db2.gz DMWSPLADJIMPDO-LBPRGKRZSA-N 2 2 275.368 0.115 20 0 CCADLP CCC[NH+](CCF)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001377470911 904918805 /nfs/dbraw/zinc/91/88/05/904918805.db2.gz DMWSPLADJIMPDO-LBPRGKRZSA-N 2 2 275.368 0.115 20 0 CCADLP CCCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001283771492 905012306 /nfs/dbraw/zinc/01/23/06/905012306.db2.gz QEJIAMBKPOCYLX-QWHCGFSZSA-N 2 2 294.399 0.312 20 0 CCADLP CCOCC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001284218855 905200793 /nfs/dbraw/zinc/20/07/93/905200793.db2.gz GWEVNGSKHMOTCL-STQMWFEESA-N 2 2 294.399 0.863 20 0 CCADLP C[C@H]1CC[C@@H](C[NH+]2CC(CNC(=O)Cc3c[nH]c[nH+]3)C2)O1 ZINC001377997859 905310553 /nfs/dbraw/zinc/31/05/53/905310553.db2.gz DBMVCEROXZDYDQ-FZMZJTMJSA-N 2 2 292.383 0.568 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)Cc1ccnn1C ZINC001378028228 905354865 /nfs/dbraw/zinc/35/48/65/905354865.db2.gz ZXELNSCUMYQWCS-JSGCOSHPSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)Cc1ccnn1C ZINC001378028228 905354881 /nfs/dbraw/zinc/35/48/81/905354881.db2.gz ZXELNSCUMYQWCS-JSGCOSHPSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@H+](C)Cc1ccnn1C ZINC001378028228 905354903 /nfs/dbraw/zinc/35/49/03/905354903.db2.gz ZXELNSCUMYQWCS-JSGCOSHPSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@@H+](C)Cc1ccnn1C ZINC001378028228 905354922 /nfs/dbraw/zinc/35/49/22/905354922.db2.gz ZXELNSCUMYQWCS-JSGCOSHPSA-N 2 2 293.415 0.451 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC1=CC[N@H+](CCCO)CC1 ZINC001284985994 905519553 /nfs/dbraw/zinc/51/95/53/905519553.db2.gz MABBXSVQCIYZSP-UHFFFAOYSA-N 2 2 292.383 0.391 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC1=CC[N@@H+](CCCO)CC1 ZINC001284985994 905519564 /nfs/dbraw/zinc/51/95/64/905519564.db2.gz MABBXSVQCIYZSP-UHFFFAOYSA-N 2 2 292.383 0.391 20 0 CCADLP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C1C[NH+](CCF)C1 ZINC001378539121 905671607 /nfs/dbraw/zinc/67/16/07/905671607.db2.gz ZKPLCWLBKIEZFY-LLVKDONJSA-N 2 2 271.380 0.877 20 0 CCADLP Cc1cc(C[N@@H+](C)CCN(C)C(=O)[C@H]2CCC[NH+]2C)on1 ZINC001379039070 905945869 /nfs/dbraw/zinc/94/58/69/905945869.db2.gz ZZVOXBMBWKXVFT-CQSZACIVSA-N 2 2 294.399 0.967 20 0 CCADLP Cc1cc(C[N@H+](C)CCN(C)C(=O)[C@H]2CCC[NH+]2C)on1 ZINC001379039070 905945885 /nfs/dbraw/zinc/94/58/85/905945885.db2.gz ZZVOXBMBWKXVFT-CQSZACIVSA-N 2 2 294.399 0.967 20 0 CCADLP Cc1cc(C[NH+](C)CCN(C)C(=O)[C@H]2CCC[N@@H+]2C)on1 ZINC001379039070 905945899 /nfs/dbraw/zinc/94/58/99/905945899.db2.gz ZZVOXBMBWKXVFT-CQSZACIVSA-N 2 2 294.399 0.967 20 0 CCADLP Cc1cc(C[NH+](C)CCN(C)C(=O)[C@H]2CCC[N@H+]2C)on1 ZINC001379039070 905945905 /nfs/dbraw/zinc/94/59/05/905945905.db2.gz ZZVOXBMBWKXVFT-CQSZACIVSA-N 2 2 294.399 0.967 20 0 CCADLP CC(C)OCC[N@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001379143023 906017289 /nfs/dbraw/zinc/01/72/89/906017289.db2.gz HWGFGYLUAWCTAR-UHFFFAOYSA-N 2 2 282.388 0.698 20 0 CCADLP CC(C)OCC[N@@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001379143023 906017308 /nfs/dbraw/zinc/01/73/08/906017308.db2.gz HWGFGYLUAWCTAR-UHFFFAOYSA-N 2 2 282.388 0.698 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](O)C[NH2+]CC1CCCCC1 ZINC001379256840 906097630 /nfs/dbraw/zinc/09/76/30/906097630.db2.gz JPSAHIKKDUIRSJ-CYBMUJFWSA-N 2 2 294.399 0.599 20 0 CCADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+]C[C@H]1CCOC1 ZINC001379279052 906110296 /nfs/dbraw/zinc/11/02/96/906110296.db2.gz SFYOZNIVRXVDIO-QWHCGFSZSA-N 2 2 294.399 0.436 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ncccn1 ZINC001379325907 906146865 /nfs/dbraw/zinc/14/68/65/906146865.db2.gz HMENECLGWBLFGC-CYBMUJFWSA-N 2 2 293.415 0.753 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ncccn1 ZINC001379325907 906146870 /nfs/dbraw/zinc/14/68/70/906146870.db2.gz HMENECLGWBLFGC-CYBMUJFWSA-N 2 2 293.415 0.753 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC001293933679 906533230 /nfs/dbraw/zinc/53/32/30/906533230.db2.gz WFOCKUVPAHWMDQ-CHWSQXEVSA-N 2 2 269.389 0.165 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC001293933679 906533244 /nfs/dbraw/zinc/53/32/44/906533244.db2.gz WFOCKUVPAHWMDQ-CHWSQXEVSA-N 2 2 269.389 0.165 20 0 CCADLP CC(C)[N@@H+]1CC[C@](O)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001380550887 906819805 /nfs/dbraw/zinc/81/98/05/906819805.db2.gz FFOUIAOXCHDGHL-HIFRSBDPSA-N 2 2 294.399 0.796 20 0 CCADLP CC(C)[N@H+]1CC[C@](O)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001380550887 906819810 /nfs/dbraw/zinc/81/98/10/906819810.db2.gz FFOUIAOXCHDGHL-HIFRSBDPSA-N 2 2 294.399 0.796 20 0 CCADLP C[C@H]([NH2+]CCO)[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001380663495 906887438 /nfs/dbraw/zinc/88/74/38/906887438.db2.gz DGHHAFUMDRSSDR-STQMWFEESA-N 2 2 294.399 0.172 20 0 CCADLP Nc1nc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc[nH+]1 ZINC001337836836 921297231 /nfs/dbraw/zinc/29/72/31/921297231.db2.gz JKNKAODLKNDTTA-MNOVXSKESA-N 2 2 263.345 0.094 20 0 CCADLP C[C@H](CNc1cc[nH+]c(N)n1)N1CC[NH+](C)CC1 ZINC001337836742 921297409 /nfs/dbraw/zinc/29/74/09/921297409.db2.gz FQHCELANZLGIJK-SNVBAGLBSA-N 2 2 250.350 0.107 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]2CCCC2)[nH]1 ZINC001381449025 907209330 /nfs/dbraw/zinc/20/93/30/907209330.db2.gz NEEARDKUAYTHQY-QWRGUYRKSA-N 2 2 294.403 0.192 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1[C@H]2C[N@@H+](CCC3CC3)C[C@H]21 ZINC001381918145 907457695 /nfs/dbraw/zinc/45/76/95/907457695.db2.gz AQACYPXFQVAIPC-QKDCVEJESA-N 2 2 288.395 0.977 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1[C@H]2C[N@H+](CCC3CC3)C[C@H]21 ZINC001381918145 907457702 /nfs/dbraw/zinc/45/77/02/907457702.db2.gz AQACYPXFQVAIPC-QKDCVEJESA-N 2 2 288.395 0.977 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001382041543 907504578 /nfs/dbraw/zinc/50/45/78/907504578.db2.gz PDXZIQKGZJVQCV-GXTWGEPZSA-N 2 2 294.399 0.745 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001491824564 907589380 /nfs/dbraw/zinc/58/93/80/907589380.db2.gz VHMYNHBGTPPDNP-KBPBESRZSA-N 2 2 294.399 0.746 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N1CC[C@@H](C[NH2+]CCO)C1 ZINC001491858914 907609569 /nfs/dbraw/zinc/60/95/69/907609569.db2.gz MKYDQJATTWMBLT-ZDUSSCGKSA-N 2 2 280.372 0.094 20 0 CCADLP COCCC[N@@H+]1CC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001317520393 909284647 /nfs/dbraw/zinc/28/46/47/909284647.db2.gz MJTUQBMCEUIDMC-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP COCCC[N@H+]1CC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001317520393 909284660 /nfs/dbraw/zinc/28/46/60/909284660.db2.gz MJTUQBMCEUIDMC-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP COCCC[N@@H+]1CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001317520393 909284671 /nfs/dbraw/zinc/28/46/71/909284671.db2.gz MJTUQBMCEUIDMC-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP COCCC[N@H+]1CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001317520393 909284682 /nfs/dbraw/zinc/28/46/82/909284682.db2.gz MJTUQBMCEUIDMC-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP CCc1cnc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001317572218 909361410 /nfs/dbraw/zinc/36/14/10/909361410.db2.gz BUPODCMRJUPXSO-ZDUSSCGKSA-N 2 2 294.399 0.879 20 0 CCADLP CCc1cnc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001317572218 909361426 /nfs/dbraw/zinc/36/14/26/909361426.db2.gz BUPODCMRJUPXSO-ZDUSSCGKSA-N 2 2 294.399 0.879 20 0 CCADLP CN(CC[NH2+]C[C@H]1C[C@@]12CCOC2)C(=O)Cc1[nH]cc[nH+]1 ZINC001317642620 909434057 /nfs/dbraw/zinc/43/40/57/909434057.db2.gz SRRQULXGUWOUHA-IUODEOHRSA-N 2 2 292.383 0.427 20 0 CCADLP COCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001319209309 910036082 /nfs/dbraw/zinc/03/60/82/910036082.db2.gz OQOVJPBUFXHIRX-QWHCGFSZSA-N 2 2 294.399 0.434 20 0 CCADLP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1cnon1 ZINC001390478589 910451485 /nfs/dbraw/zinc/45/14/85/910451485.db2.gz JIMUYDWTMHEHIJ-NSHDSACASA-N 2 2 297.403 0.642 20 0 CCADLP C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1cnon1 ZINC001390478589 910451493 /nfs/dbraw/zinc/45/14/93/910451493.db2.gz JIMUYDWTMHEHIJ-NSHDSACASA-N 2 2 297.403 0.642 20 0 CCADLP C[C@H](CNC(=O)CCCn1cc[nH+]c1)[NH2+]C[C@@H]1CCOC1 ZINC001390534793 910497128 /nfs/dbraw/zinc/49/71/28/910497128.db2.gz XJLQUAWRRXISIM-KGLIPLIRSA-N 2 2 294.399 0.794 20 0 CCADLP CN(C[C@H]1CC[N@@H+]1Cc1cnn(C)c1)C(=O)CC[NH+](C)C ZINC001417746585 921591145 /nfs/dbraw/zinc/59/11/45/921591145.db2.gz FUSCPAFUPKMXMK-CQSZACIVSA-N 2 2 293.415 0.405 20 0 CCADLP CN(C[C@H]1CC[N@H+]1Cc1cnn(C)c1)C(=O)CC[NH+](C)C ZINC001417746585 921591159 /nfs/dbraw/zinc/59/11/59/921591159.db2.gz FUSCPAFUPKMXMK-CQSZACIVSA-N 2 2 293.415 0.405 20 0 CCADLP Cc1ncc(C[NH2+][C@@H](C)CCNC(=O)Cn2cc[nH+]c2)o1 ZINC001390735986 910626798 /nfs/dbraw/zinc/62/67/98/910626798.db2.gz MGKKCULWCKXHQQ-NSHDSACASA-N 2 2 291.355 0.864 20 0 CCADLP CO[C@@H](C)C[N@H+](C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001390781462 910672212 /nfs/dbraw/zinc/67/22/12/910672212.db2.gz GCTIDGMOFCPISH-STQMWFEESA-N 2 2 294.399 0.528 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001390781462 910672218 /nfs/dbraw/zinc/67/22/18/910672218.db2.gz GCTIDGMOFCPISH-STQMWFEESA-N 2 2 294.399 0.528 20 0 CCADLP Cc1ncoc1C[NH2+]CC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001320652717 910780075 /nfs/dbraw/zinc/78/00/75/910780075.db2.gz OUFUBCPVZLKDJS-NSHDSACASA-N 2 2 291.355 0.864 20 0 CCADLP CCN(CC[NH2+]C[C@@H](C)O)C(=O)c1cccc2[nH+]ccn21 ZINC001320791400 910868965 /nfs/dbraw/zinc/86/89/65/910868965.db2.gz LIONSIJLDLKBSD-GFCCVEGCSA-N 2 2 290.367 0.767 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NC[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001417803020 921619658 /nfs/dbraw/zinc/61/96/58/921619658.db2.gz QBVQMXMHDVULJU-JOCQHMNTSA-N 2 2 280.372 0.140 20 0 CCADLP CCC[N@H+](C)CC(=O)NC1C[NH+](CCC[C@H]2CCOC2)C1 ZINC001391455999 911147217 /nfs/dbraw/zinc/14/72/17/911147217.db2.gz SMCNSHCKZMXHQD-AWEZNQCLSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC1C[NH+](CCC[C@H]2CCOC2)C1 ZINC001391455999 911147223 /nfs/dbraw/zinc/14/72/23/911147223.db2.gz SMCNSHCKZMXHQD-AWEZNQCLSA-N 2 2 297.443 0.945 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+]Cc1cnon1 ZINC001321420926 911293196 /nfs/dbraw/zinc/29/31/96/911293196.db2.gz UVBDTUBSZHJEOC-SNAWJCMRSA-N 2 2 281.360 0.172 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC/C=C/C[NH2+]Cc1cnon1 ZINC001321420926 911293210 /nfs/dbraw/zinc/29/32/10/911293210.db2.gz UVBDTUBSZHJEOC-SNAWJCMRSA-N 2 2 281.360 0.172 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]Cc1nccn1C ZINC001391935904 911469428 /nfs/dbraw/zinc/46/94/28/911469428.db2.gz YQSKBINRRMZEKR-LLVKDONJSA-N 2 2 290.371 0.228 20 0 CCADLP CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1nc(C)no1)[NH+](C)C ZINC001392115163 911586215 /nfs/dbraw/zinc/58/62/15/911586215.db2.gz XHTNKOIKGCCBSI-JQWIXIFHSA-N 2 2 297.403 0.655 20 0 CCADLP C[C@H](O)C[NH+]1CCC(N(C)C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001417896150 921690510 /nfs/dbraw/zinc/69/05/10/921690510.db2.gz OZXYFWYSTOAJPA-LBPRGKRZSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@H](O)C[NH+]1CCC(N(C)C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001417896150 921690517 /nfs/dbraw/zinc/69/05/17/921690517.db2.gz OZXYFWYSTOAJPA-LBPRGKRZSA-N 2 2 294.399 0.646 20 0 CCADLP CCc1nnc(C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C)o1 ZINC001392534081 911898383 /nfs/dbraw/zinc/89/83/83/911898383.db2.gz CIXRTUWORZDZMW-LLVKDONJSA-N 2 2 297.403 0.567 20 0 CCADLP CCc1nnc(C[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)o1 ZINC001392534081 911898394 /nfs/dbraw/zinc/89/83/94/911898394.db2.gz CIXRTUWORZDZMW-LLVKDONJSA-N 2 2 297.403 0.567 20 0 CCADLP C[C@H](CC(=O)N[C@@H](C[NH2+]CCO)C1CC1)n1cc[nH+]c1 ZINC001323080473 912105825 /nfs/dbraw/zinc/10/58/25/912105825.db2.gz ICKQBJFSODOWGK-YPMHNXCESA-N 2 2 280.372 0.311 20 0 CCADLP C[C@H](O)C[N@@H+]1CCC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001399907580 915434494 /nfs/dbraw/zinc/43/44/94/915434494.db2.gz XTXMIAOLQXEGGM-KBPBESRZSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@H](O)C[N@H+]1CCC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001399907580 915434503 /nfs/dbraw/zinc/43/45/03/915434503.db2.gz XTXMIAOLQXEGGM-KBPBESRZSA-N 2 2 294.399 0.625 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001399946153 915465153 /nfs/dbraw/zinc/46/51/53/915465153.db2.gz OBQYZWKMHOZVLD-WCQYABFASA-N 2 2 294.399 0.734 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001399946153 915465163 /nfs/dbraw/zinc/46/51/63/915465163.db2.gz OBQYZWKMHOZVLD-WCQYABFASA-N 2 2 294.399 0.734 20 0 CCADLP Cc1nccc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)n1 ZINC001328996724 915580130 /nfs/dbraw/zinc/58/01/30/915580130.db2.gz CVAUGAFXVBOJQZ-UHFFFAOYSA-N 2 2 258.329 0.830 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NC1C[NH+](CCC2CC2)C1 ZINC001400452229 915750335 /nfs/dbraw/zinc/75/03/35/915750335.db2.gz UIPARRYXBPSUFZ-ZDUSSCGKSA-N 2 2 295.427 0.555 20 0 CCADLP CC[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CCF ZINC001400818838 915945227 /nfs/dbraw/zinc/94/52/27/915945227.db2.gz JXDQAYBEERFEMW-RYUDHWBXSA-N 2 2 282.363 0.899 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1C[N@H+](CCCF)CCO1 ZINC001401158276 916073050 /nfs/dbraw/zinc/07/30/50/916073050.db2.gz FLLPCIGSCWGZRO-ZDUSSCGKSA-N 2 2 298.362 0.368 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1C[N@@H+](CCCF)CCO1 ZINC001401158276 916073065 /nfs/dbraw/zinc/07/30/65/916073065.db2.gz FLLPCIGSCWGZRO-ZDUSSCGKSA-N 2 2 298.362 0.368 20 0 CCADLP CC[C@H]([NH2+]C[C@@H](C)N(C)C(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001401231520 916132456 /nfs/dbraw/zinc/13/24/56/916132456.db2.gz WMTVTDANDLAIEC-PWSUYJOCSA-N 2 2 295.387 0.043 20 0 CCADLP CC[C@H]([NH2+]C[C@@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC001401231520 916132471 /nfs/dbraw/zinc/13/24/71/916132471.db2.gz WMTVTDANDLAIEC-PWSUYJOCSA-N 2 2 295.387 0.043 20 0 CCADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+]([C@H]2CC(=O)NC2=O)C1 ZINC001329784434 916185683 /nfs/dbraw/zinc/18/56/83/916185683.db2.gz COBZTMVGQFYILO-QWRGUYRKSA-N 2 2 276.340 0.090 20 0 CCADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+]([C@H]2CC(=O)NC2=O)C1 ZINC001329784434 916185690 /nfs/dbraw/zinc/18/56/90/916185690.db2.gz COBZTMVGQFYILO-QWRGUYRKSA-N 2 2 276.340 0.090 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnsn1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001401715393 916510368 /nfs/dbraw/zinc/51/03/68/916510368.db2.gz BSESTDQDLMZPRM-WDEREUQCSA-N 2 2 297.428 0.474 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnsn1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001401715393 916510375 /nfs/dbraw/zinc/51/03/75/916510375.db2.gz BSESTDQDLMZPRM-WDEREUQCSA-N 2 2 297.428 0.474 20 0 CCADLP CO[C@H](C)C[N@H+](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001401761592 916576726 /nfs/dbraw/zinc/57/67/26/916576726.db2.gz RLISROKAQMUPDK-QWHCGFSZSA-N 2 2 282.388 0.745 20 0 CCADLP CO[C@H](C)C[N@@H+](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001401761592 916576744 /nfs/dbraw/zinc/57/67/44/916576744.db2.gz RLISROKAQMUPDK-QWHCGFSZSA-N 2 2 282.388 0.745 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH+](C)CCF)C1 ZINC001401795430 916590556 /nfs/dbraw/zinc/59/05/56/916590556.db2.gz ARRBTBLJHSQKFX-VXGBXAGGSA-N 2 2 275.368 0.113 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)C[NH+](C)CCF)C1 ZINC001401795430 916590575 /nfs/dbraw/zinc/59/05/75/916590575.db2.gz ARRBTBLJHSQKFX-VXGBXAGGSA-N 2 2 275.368 0.113 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H](C)C[N@H+](C)CCF)C1 ZINC001401795430 916590591 /nfs/dbraw/zinc/59/05/91/916590591.db2.gz ARRBTBLJHSQKFX-VXGBXAGGSA-N 2 2 275.368 0.113 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CCF)C1 ZINC001401795430 916590608 /nfs/dbraw/zinc/59/06/08/916590608.db2.gz ARRBTBLJHSQKFX-VXGBXAGGSA-N 2 2 275.368 0.113 20 0 CCADLP COC[C@H](C)[N@H+](C)C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001401812444 916607790 /nfs/dbraw/zinc/60/77/90/916607790.db2.gz WNXCGAVJWBIXAL-STQMWFEESA-N 2 2 296.415 0.824 20 0 CCADLP COC[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001401812444 916607802 /nfs/dbraw/zinc/60/78/02/916607802.db2.gz WNXCGAVJWBIXAL-STQMWFEESA-N 2 2 296.415 0.824 20 0 CCADLP COC[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001401812429 916609575 /nfs/dbraw/zinc/60/95/75/916609575.db2.gz WNXCGAVJWBIXAL-CHWSQXEVSA-N 2 2 296.415 0.824 20 0 CCADLP COC[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001401812429 916609590 /nfs/dbraw/zinc/60/95/90/916609590.db2.gz WNXCGAVJWBIXAL-CHWSQXEVSA-N 2 2 296.415 0.824 20 0 CCADLP C[C@H](C[N@H+](C)CC[C@H]1CCCO1)NC(=O)Cn1cc[nH+]c1 ZINC001401823067 916616872 /nfs/dbraw/zinc/61/68/72/916616872.db2.gz ONSBLORYDOCSGT-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@H](C[N@@H+](C)CC[C@H]1CCCO1)NC(=O)Cn1cc[nH+]c1 ZINC001401823067 916616882 /nfs/dbraw/zinc/61/68/82/916616882.db2.gz ONSBLORYDOCSGT-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP COCCO[C@H]1C[C@H](CO)C[N@H+](CCc2c[nH+]cn2C)C1 ZINC001330670858 916782473 /nfs/dbraw/zinc/78/24/73/916782473.db2.gz BTHUPJTYYXNLBB-ZFWWWQNUSA-N 2 2 297.399 0.308 20 0 CCADLP COCCO[C@H]1C[C@H](CO)C[N@@H+](CCc2c[nH+]cn2C)C1 ZINC001330670858 916782478 /nfs/dbraw/zinc/78/24/78/916782478.db2.gz BTHUPJTYYXNLBB-ZFWWWQNUSA-N 2 2 297.399 0.308 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001402171507 916844247 /nfs/dbraw/zinc/84/42/47/916844247.db2.gz CPRBBDRFDLTMSJ-SWLSCSKDSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H](C(=O)N[C@@H](C)C1CC[NH2+]CC1)n1cc[nH+]c1 ZINC001331026844 917035597 /nfs/dbraw/zinc/03/55/97/917035597.db2.gz GLYODVOTLSWXBT-WDEREUQCSA-N 2 2 250.346 0.948 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001402469818 917039841 /nfs/dbraw/zinc/03/98/41/917039841.db2.gz YBHSCAMHSDDTLI-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP C[NH+](C)CCCC(=O)NC[C@@H]1COCC[N@@H+]1CCCF ZINC001402505959 917064398 /nfs/dbraw/zinc/06/43/98/917064398.db2.gz BKWSKYYSTKRTFX-CYBMUJFWSA-N 2 2 289.395 0.505 20 0 CCADLP C[NH+](C)CCCC(=O)NC[C@@H]1COCC[N@H+]1CCCF ZINC001402505959 917064416 /nfs/dbraw/zinc/06/44/16/917064416.db2.gz BKWSKYYSTKRTFX-CYBMUJFWSA-N 2 2 289.395 0.505 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001402529074 917080177 /nfs/dbraw/zinc/08/01/77/917080177.db2.gz LSNUMQRLAZLMHZ-CHWSQXEVSA-N 2 2 294.399 0.314 20 0 CCADLP CC[C@@H](C)C[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001402602749 917122011 /nfs/dbraw/zinc/12/20/11/917122011.db2.gz BRJBFIQPPAOOPK-KGLIPLIRSA-N 2 2 294.399 0.746 20 0 CCADLP COCC[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001402914646 917343679 /nfs/dbraw/zinc/34/36/79/917343679.db2.gz FNFKCUOAUURLDG-ZDUSSCGKSA-N 2 2 280.372 0.521 20 0 CCADLP COCC[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001402914646 917343697 /nfs/dbraw/zinc/34/36/97/917343697.db2.gz FNFKCUOAUURLDG-ZDUSSCGKSA-N 2 2 280.372 0.521 20 0 CCADLP COC[C@@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001402935477 917358010 /nfs/dbraw/zinc/35/80/10/917358010.db2.gz NAKMHPXOTZAHKR-KGLIPLIRSA-N 2 2 294.399 0.841 20 0 CCADLP COC[C@@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001402935477 917358018 /nfs/dbraw/zinc/35/80/18/917358018.db2.gz NAKMHPXOTZAHKR-KGLIPLIRSA-N 2 2 294.399 0.841 20 0 CCADLP C[C@@H](O)C[NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001403091870 917468629 /nfs/dbraw/zinc/46/86/29/917468629.db2.gz QEZDYCNGNSDYLK-LLVKDONJSA-N 2 2 282.388 0.407 20 0 CCADLP C[C@@H](O)C[N@H+](C)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001403134000 917515572 /nfs/dbraw/zinc/51/55/72/917515572.db2.gz KXLPUDKIEDZKKL-GHMZBOCLSA-N 2 2 290.367 0.994 20 0 CCADLP C[C@@H](O)C[N@@H+](C)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001403134000 917515591 /nfs/dbraw/zinc/51/55/91/917515591.db2.gz KXLPUDKIEDZKKL-GHMZBOCLSA-N 2 2 290.367 0.994 20 0 CCADLP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]CC[C@H]1CCOC1 ZINC001403475516 917732861 /nfs/dbraw/zinc/73/28/61/917732861.db2.gz ANCYSKHNDRMYOZ-KGLIPLIRSA-N 2 2 294.399 0.794 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1nc(C)no1 ZINC001403643101 917878014 /nfs/dbraw/zinc/87/80/14/917878014.db2.gz VCLOVWQXGYCRIS-LLVKDONJSA-N 2 2 297.403 0.656 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1nc(C)no1 ZINC001403643101 917878027 /nfs/dbraw/zinc/87/80/27/917878027.db2.gz VCLOVWQXGYCRIS-LLVKDONJSA-N 2 2 297.403 0.656 20 0 CCADLP Cc1cnc(C[N@@H+](C)CCNC(=O)CC[NH+](C)C)cn1 ZINC001403664013 917906398 /nfs/dbraw/zinc/90/63/98/917906398.db2.gz ULCYOUCDWFEKNF-UHFFFAOYSA-N 2 2 279.388 0.285 20 0 CCADLP Cc1cnc(C[N@H+](C)CCNC(=O)CC[NH+](C)C)cn1 ZINC001403664013 917906410 /nfs/dbraw/zinc/90/64/10/917906410.db2.gz ULCYOUCDWFEKNF-UHFFFAOYSA-N 2 2 279.388 0.285 20 0 CCADLP CC(C)(C)CC[NH2+][C@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001403697989 917939738 /nfs/dbraw/zinc/93/97/38/917939738.db2.gz HHRKYQQTAMNBIF-LBPRGKRZSA-N 2 2 282.388 0.455 20 0 CCADLP Cn1cc(N2CC[C@@H]([NH2+][C@@H]3CC[NH2+]C3(C)C)C2)cn1 ZINC001332401221 918125542 /nfs/dbraw/zinc/12/55/42/918125542.db2.gz KVHLQHQIXLUMAP-DGCLKSJQSA-N 2 2 263.389 0.729 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001332675704 918371868 /nfs/dbraw/zinc/37/18/68/918371868.db2.gz CIMJTQWLCRKTQS-GFCCVEGCSA-N 2 2 268.361 0.043 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001332675704 918371881 /nfs/dbraw/zinc/37/18/81/918371881.db2.gz CIMJTQWLCRKTQS-GFCCVEGCSA-N 2 2 268.361 0.043 20 0 CCADLP CCC[NH+]1CCN(CCN(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC001404567158 918396419 /nfs/dbraw/zinc/39/64/19/918396419.db2.gz XGHHNLMDASWKNJ-UHFFFAOYSA-N 2 2 293.415 0.369 20 0 CCADLP COCc1cc(C[NH2+]CCCN2CC[NH+](C)CC2)no1 ZINC001333144396 918685524 /nfs/dbraw/zinc/68/55/24/918685524.db2.gz OCYYUCLUIIIMNJ-UHFFFAOYSA-N 2 2 282.388 0.548 20 0 CCADLP Cc1ncoc1C[NH2+]C[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001405716510 918872437 /nfs/dbraw/zinc/87/24/37/918872437.db2.gz IRIZIWJICYKPLG-NSHDSACASA-N 2 2 291.355 0.722 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N(C)[C@H](C)C[NH2+]Cc1cnon1 ZINC001405844774 918937850 /nfs/dbraw/zinc/93/78/50/918937850.db2.gz YGNUIIAPEITEDB-SNVBAGLBSA-N 2 2 292.343 0.211 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCCCN2CC[NH+](C)CC2)c2ncnn21 ZINC001333555802 918994105 /nfs/dbraw/zinc/99/41/05/918994105.db2.gz RFJUGZUYQDGMEZ-ZIAGYGMSSA-N 2 2 292.431 0.901 20 0 CCADLP CCN(C(=O)NCc1c[nH+]cn1C)[C@H]1CC[NH2+]C1 ZINC001333599859 919032869 /nfs/dbraw/zinc/03/28/69/919032869.db2.gz STLUYFRPRQQWKZ-JTQLQIEISA-N 2 2 251.334 0.314 20 0 CCADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)[C@H]1CCS(=O)(=O)C1 ZINC001333697825 919107644 /nfs/dbraw/zinc/10/76/44/919107644.db2.gz REDKEDCETUUBST-MNOVXSKESA-N 2 2 257.359 0.296 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001406379418 919223437 /nfs/dbraw/zinc/22/34/37/919223437.db2.gz IPVFCHBVUSSMAY-JFGNBEQYSA-N 2 2 295.387 0.628 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001406379418 919223446 /nfs/dbraw/zinc/22/34/46/919223446.db2.gz IPVFCHBVUSSMAY-JFGNBEQYSA-N 2 2 295.387 0.628 20 0 CCADLP C[C@@H]1CCN(C(=O)NCc2c[nH+]cn2C)C[C@@H]1C[NH3+] ZINC001334229818 919442386 /nfs/dbraw/zinc/44/23/86/919442386.db2.gz RKXOFLFMJVDYCV-MNOVXSKESA-N 2 2 265.361 0.546 20 0 CCADLP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001406938206 919548501 /nfs/dbraw/zinc/54/85/01/919548501.db2.gz QPUABSAEEZDYSC-GMTAPVOTSA-N 2 2 278.356 0.132 20 0 CCADLP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001406938206 919548511 /nfs/dbraw/zinc/54/85/11/919548511.db2.gz QPUABSAEEZDYSC-GMTAPVOTSA-N 2 2 278.356 0.132 20 0 CCADLP CN(C(=O)CC[NH+]1CCOCC1)C1C[NH+](CCCF)C1 ZINC001407073995 919603256 /nfs/dbraw/zinc/60/32/56/919603256.db2.gz HGQBIQSZKSRRKI-UHFFFAOYSA-N 2 2 287.379 0.211 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001407227382 919671365 /nfs/dbraw/zinc/67/13/65/919671365.db2.gz DYXHHXLAYKKZQR-IUODEOHRSA-N 2 2 294.399 0.172 20 0 CCADLP CC(=O)NCC[NH+]1CCC([NH2+]C[C@@H]2CC[C@@H](C)O2)CC1 ZINC001407568847 919811567 /nfs/dbraw/zinc/81/15/67/919811567.db2.gz IGQUVDPBYFPYBS-DOMZBBRYSA-N 2 2 283.416 0.744 20 0 CCADLP CN(C)C(=O)c1cccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC001335289533 920095052 /nfs/dbraw/zinc/09/50/52/920095052.db2.gz NOVSOJRVDHNTTL-WDNDVIMCSA-N 2 2 259.353 0.696 20 0 CCADLP C[C@H](C[NH2+]C[C@@H](O)C1(O)CCCC1)Cn1cc[nH+]c1 ZINC001335349944 920136984 /nfs/dbraw/zinc/13/69/84/920136984.db2.gz AOJBHOVBRGVNEF-CHWSQXEVSA-N 2 2 267.373 0.775 20 0 CCADLP CCOC(=O)CC[C@@H](O)C[NH2+][C@@H]1Cc2c[nH+]cn2C1 ZINC001335468931 920217119 /nfs/dbraw/zinc/21/71/19/920217119.db2.gz XXBPPVDNYKISNM-ZYHUDNBSSA-N 2 2 267.329 0.102 20 0 CCADLP C[C@H](C[NH2+]C[C@H](C)Cn1cc[nH+]c1)S(C)(=O)=O ZINC001336764382 920989074 /nfs/dbraw/zinc/98/90/74/920989074.db2.gz XHRQBRKWAZBMLQ-WDEREUQCSA-N 2 2 259.375 0.542 20 0 CCADLP Cc1nonc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001418206883 921912728 /nfs/dbraw/zinc/91/27/28/921912728.db2.gz ATXFNVZBXAQNFD-CABZTGNLSA-N 2 2 281.360 0.067 20 0 CCADLP Cc1nonc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001418206883 921912739 /nfs/dbraw/zinc/91/27/39/921912739.db2.gz ATXFNVZBXAQNFD-CABZTGNLSA-N 2 2 281.360 0.067 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC1CCOCC1 ZINC001418278311 921985660 /nfs/dbraw/zinc/98/56/60/921985660.db2.gz BFXXTIHRUCBULN-NSHDSACASA-N 2 2 280.372 0.473 20 0 CCADLP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001340180650 921997246 /nfs/dbraw/zinc/99/72/46/921997246.db2.gz FGHXEDVDCMKTAT-GRYCIOLGSA-N 2 2 262.357 0.689 20 0 CCADLP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)c1csnn1 ZINC001418837224 922446556 /nfs/dbraw/zinc/44/65/56/922446556.db2.gz ZFKXBTKGFRCZMU-QWRGUYRKSA-N 2 2 297.428 0.599 20 0 CCADLP C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)c1csnn1 ZINC001418837224 922446562 /nfs/dbraw/zinc/44/65/62/922446562.db2.gz ZFKXBTKGFRCZMU-QWRGUYRKSA-N 2 2 297.428 0.599 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]2CC[C@]21C[NH3+] ZINC001341446856 922488895 /nfs/dbraw/zinc/48/88/95/922488895.db2.gz JMYKUOZJXFPZNY-FZMZJTMJSA-N 2 2 262.357 0.991 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC001341481673 922507878 /nfs/dbraw/zinc/50/78/78/922507878.db2.gz CPDKFUKGLMKGSG-SUNKGSAMSA-N 2 2 262.357 0.928 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC001341481673 922507889 /nfs/dbraw/zinc/50/78/89/922507889.db2.gz CPDKFUKGLMKGSG-SUNKGSAMSA-N 2 2 262.357 0.928 20 0 CCADLP CC[C@H](C[NH+]1CC(CNC(=O)CCc2c[nH]c[nH+]2)C1)OC ZINC001419016913 922575172 /nfs/dbraw/zinc/57/51/72/922575172.db2.gz LSQLRNFGPBSGIN-CQSZACIVSA-N 2 2 294.399 0.815 20 0 CCADLP CC[C@H](C[NH+]1CC(CNC(=O)CCc2c[nH+]c[nH]2)C1)OC ZINC001419016913 922575178 /nfs/dbraw/zinc/57/51/78/922575178.db2.gz LSQLRNFGPBSGIN-CQSZACIVSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@]1(C[NH3+])CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001341765583 922662250 /nfs/dbraw/zinc/66/22/50/922662250.db2.gz KWHRWXWNAFWTNI-FZMZJTMJSA-N 2 2 262.357 0.643 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@]12CC[C@H]1C[NH2+]C2 ZINC001341878975 922707663 /nfs/dbraw/zinc/70/76/63/922707663.db2.gz XFZWRJAFFBMLPZ-JSGCOSHPSA-N 2 2 262.357 0.731 20 0 CCADLP C[C@H](O)C[NH+]1CCC(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001419413671 922816937 /nfs/dbraw/zinc/81/69/37/922816937.db2.gz GOOATPGXVWDBAV-ZDUSSCGKSA-N 2 2 294.399 0.482 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]Cc2ccon2)C1 ZINC001419477726 922864655 /nfs/dbraw/zinc/86/46/55/922864655.db2.gz APZVTFNKSJBHKA-BETUJISGSA-N 2 2 289.339 0.698 20 0 CCADLP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnsn2)C1)[NH+](C)C ZINC001419513303 922892756 /nfs/dbraw/zinc/89/27/56/922892756.db2.gz HZQAFBFESRHSJT-UMNHJUIQSA-N 2 2 297.428 0.615 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]Cc1cncs1 ZINC001419522861 922895805 /nfs/dbraw/zinc/89/58/05/922895805.db2.gz OHWNLCQIPVEIDC-JTQLQIEISA-N 2 2 293.396 0.951 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1ccnn1C ZINC001419537821 922901590 /nfs/dbraw/zinc/90/15/90/922901590.db2.gz IURMEIWDGHKWPZ-LBPRGKRZSA-N 2 2 290.371 0.159 20 0 CCADLP CCc1noc(C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C)n1 ZINC001419712417 923021350 /nfs/dbraw/zinc/02/13/50/923021350.db2.gz NYBSZYTUBGFUFR-LLVKDONJSA-N 2 2 297.403 0.520 20 0 CCADLP Cc1nonc1C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001419838544 923124626 /nfs/dbraw/zinc/12/46/26/923124626.db2.gz MXFBCDBDQKEIOO-GXFFZTMASA-N 2 2 297.403 0.559 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](O)C[NH2+]Cc1ccccc1 ZINC001420180854 923378192 /nfs/dbraw/zinc/37/81/92/923378192.db2.gz BSRGNDMPIOSEPS-CYBMUJFWSA-N 2 2 288.351 0.219 20 0 CCADLP O=C(/C=C\C[NH+]1CCOCC1)NC[C@@H]1CCC[NH2+]CC1 ZINC001343716109 923438982 /nfs/dbraw/zinc/43/89/82/923438982.db2.gz ZOHUJGQQNRFNMF-CTGSTSKSSA-N 2 2 281.400 0.381 20 0 CCADLP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001344057581 923540793 /nfs/dbraw/zinc/54/07/93/923540793.db2.gz IPBSASAWJVZODM-WCQYABFASA-N 2 2 264.373 0.935 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1CC[NH3+] ZINC001344665850 923664652 /nfs/dbraw/zinc/66/46/52/923664652.db2.gz GPSMADNQTOZZNC-DDHJBXDOSA-N 2 2 262.357 0.957 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1CC[NH3+] ZINC001344665850 923664662 /nfs/dbraw/zinc/66/46/62/923664662.db2.gz GPSMADNQTOZZNC-DDHJBXDOSA-N 2 2 262.357 0.957 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)C1([NH3+])CCCC1 ZINC001344811522 923692720 /nfs/dbraw/zinc/69/27/20/923692720.db2.gz BZCDJJHITAKJPE-LBPRGKRZSA-N 2 2 269.389 0.485 20 0 CCADLP COC[C@H](C)[NH2+]CCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001420725209 923905787 /nfs/dbraw/zinc/90/57/87/923905787.db2.gz FTIPALFPDMMLQS-RYUDHWBXSA-N 2 2 282.388 0.671 20 0 CCADLP COC[C@H](C)[NH2+]CCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001420725209 923905797 /nfs/dbraw/zinc/90/57/97/923905797.db2.gz FTIPALFPDMMLQS-RYUDHWBXSA-N 2 2 282.388 0.671 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NC[C@H]1CC[N@@H+]1CCCF ZINC001420854238 923984794 /nfs/dbraw/zinc/98/47/94/923984794.db2.gz WVRXNWBTGVLVAZ-GFCCVEGCSA-N 2 2 282.363 0.903 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NC[C@H]1CC[N@H+]1CCCF ZINC001420854238 923984804 /nfs/dbraw/zinc/98/48/04/923984804.db2.gz WVRXNWBTGVLVAZ-GFCCVEGCSA-N 2 2 282.363 0.903 20 0 CCADLP CC(C)[C@H](C(=O)N(C)C1C[NH+](C[C@H](C)O)C1)[NH+]1CCCC1 ZINC001421092749 924146565 /nfs/dbraw/zinc/14/65/65/924146565.db2.gz NKCXIKWEIDOJDR-DZGCQCFKSA-N 2 2 297.443 0.630 20 0 CCADLP CC(C)[C@@H](C(=O)N(C)C1C[NH+](C[C@@H](C)O)C1)[NH+]1CCCC1 ZINC001421092751 924146880 /nfs/dbraw/zinc/14/68/80/924146880.db2.gz NKCXIKWEIDOJDR-HIFRSBDPSA-N 2 2 297.443 0.630 20 0 CCADLP CC[N@H+](C)CCC(=O)NCC1C[NH+](Cc2cc(C)no2)C1 ZINC001421166034 924188677 /nfs/dbraw/zinc/18/86/77/924188677.db2.gz HZCZJBSUPSCLNK-UHFFFAOYSA-N 2 2 294.399 0.873 20 0 CCADLP CC[N@@H+](C)CCC(=O)NCC1C[NH+](Cc2cc(C)no2)C1 ZINC001421166034 924188680 /nfs/dbraw/zinc/18/86/80/924188680.db2.gz HZCZJBSUPSCLNK-UHFFFAOYSA-N 2 2 294.399 0.873 20 0 CCADLP COCC[N@@H+]1CC[C@@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001421212543 924218307 /nfs/dbraw/zinc/21/83/07/924218307.db2.gz DFIGNLUUZXZDLS-CQSZACIVSA-N 2 2 280.372 0.500 20 0 CCADLP COCC[N@H+]1CC[C@@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001421212543 924218316 /nfs/dbraw/zinc/21/83/16/924218316.db2.gz DFIGNLUUZXZDLS-CQSZACIVSA-N 2 2 280.372 0.500 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CC[NH2+][C@H]1C ZINC001346582399 924269201 /nfs/dbraw/zinc/26/92/01/924269201.db2.gz IOOQIAZRLUTERZ-AVGNSLFASA-N 2 2 269.389 0.164 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CCC2(O)CCOCC2)n1C ZINC001346843359 924319612 /nfs/dbraw/zinc/31/96/12/924319612.db2.gz XBBABZIWZSQLIB-UHFFFAOYSA-N 2 2 253.346 0.750 20 0 CCADLP CN(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001348958872 924851887 /nfs/dbraw/zinc/85/18/87/924851887.db2.gz ZCCULLQIFHXENW-OWCLPIDISA-N 2 2 298.475 0.057 20 0 CCADLP C[C@@H]1COCCN1CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC001350954500 925320149 /nfs/dbraw/zinc/32/01/49/925320149.db2.gz CWJRZYGXHLAERK-ZIAGYGMSSA-N 2 2 267.417 0.971 20 0 CCADLP COCC[C@@H]([NH3+])C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001353062983 925719783 /nfs/dbraw/zinc/71/97/83/925719783.db2.gz IOJDFGPIHUFBKD-WDEREUQCSA-N 2 2 266.345 0.480 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001353404274 925822241 /nfs/dbraw/zinc/82/22/41/925822241.db2.gz CUQCLBIGUUIPPD-WDEREUQCSA-N 2 2 263.345 0.171 20 0 CCADLP [NH3+][C@@H]1C[C@H](C(=O)NCCCCn2cc[nH+]c2)[C@H]2C[C@H]21 ZINC001353508816 925854624 /nfs/dbraw/zinc/85/46/24/925854624.db2.gz OSZHVXCNEOUNTL-QNWHQSFQSA-N 2 2 262.357 0.763 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC001353624210 925887544 /nfs/dbraw/zinc/88/75/44/925887544.db2.gz ZGCCDURGVYOHFR-QJPTWQEYSA-N 2 2 262.357 0.782 20 0 CCADLP [NH3+][C@@]1(CO)CCC[N@H+](Cc2cccc3c[nH]nc32)C1 ZINC001356082914 926341845 /nfs/dbraw/zinc/34/18/45/926341845.db2.gz HPFBNHQEVCQUJR-AWEZNQCLSA-N 2 2 260.341 0.849 20 0 CCADLP [NH3+][C@@]1(CO)CCC[N@@H+](Cc2cccc3c[nH]nc32)C1 ZINC001356082914 926341855 /nfs/dbraw/zinc/34/18/55/926341855.db2.gz HPFBNHQEVCQUJR-AWEZNQCLSA-N 2 2 260.341 0.849 20 0 CCADLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]C[C@H]1CCCOC1 ZINC001421455185 926758998 /nfs/dbraw/zinc/75/89/98/926758998.db2.gz HATFPDYWGMVMML-CHWSQXEVSA-N 2 2 294.399 0.863 20 0 CCADLP C[NH+](C)C1(C(=O)NC[C@@H]2COCC[N@@H+]2CC2CC2)CCC1 ZINC001421715039 926870411 /nfs/dbraw/zinc/87/04/11/926870411.db2.gz YJCNEAOMEADSOZ-CQSZACIVSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+](C)C1(C(=O)NC[C@@H]2COCC[N@H+]2CC2CC2)CCC1 ZINC001421715039 926870425 /nfs/dbraw/zinc/87/04/25/926870425.db2.gz YJCNEAOMEADSOZ-CQSZACIVSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001421717763 926871250 /nfs/dbraw/zinc/87/12/50/926871250.db2.gz JAEFMGAIJHHRCI-NWDGAFQWSA-N 2 2 280.372 0.304 20 0 CCADLP NC(=O)[C@H]1CC[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC001474575570 926903624 /nfs/dbraw/zinc/90/36/24/926903624.db2.gz MBKYRSLUYKDAKY-IACUBPJLSA-N 2 2 281.400 0.483 20 0 CCADLP CN(CCC[N@H+](C)CCO)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001421860717 926952975 /nfs/dbraw/zinc/95/29/75/926952975.db2.gz RQBZBQAIOSHBOX-ZDUSSCGKSA-N 2 2 294.399 0.218 20 0 CCADLP CN(CCC[N@@H+](C)CCO)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001421860717 926952989 /nfs/dbraw/zinc/95/29/89/926952989.db2.gz RQBZBQAIOSHBOX-ZDUSSCGKSA-N 2 2 294.399 0.218 20 0 CCADLP CC[NH2+][C@]1(CO)CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001421979074 927024286 /nfs/dbraw/zinc/02/42/86/927024286.db2.gz KAIXMLWETDPDNU-UKRRQHHQSA-N 2 2 294.399 0.797 20 0 CCADLP C[C@@H](CN1CCc2[nH+]ccc(N)c2C1)C[NH+]1CCOCC1 ZINC001422162382 927116377 /nfs/dbraw/zinc/11/63/77/927116377.db2.gz MPAZHPKEDAJNSL-CYBMUJFWSA-N 2 2 290.411 0.990 20 0 CCADLP C[C@H](CN1CCOCC1)C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC001422162382 927116386 /nfs/dbraw/zinc/11/63/86/927116386.db2.gz MPAZHPKEDAJNSL-CYBMUJFWSA-N 2 2 290.411 0.990 20 0 CCADLP C[C@H](CN1CCOCC1)C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC001422162382 927116401 /nfs/dbraw/zinc/11/64/01/927116401.db2.gz MPAZHPKEDAJNSL-CYBMUJFWSA-N 2 2 290.411 0.990 20 0 CCADLP Cc1cc(C[N@@H+](C)CCN(C)C(=O)C[NH+]2CCCC2)on1 ZINC001422235004 927166267 /nfs/dbraw/zinc/16/62/67/927166267.db2.gz IKIGBYWBRHLZAP-UHFFFAOYSA-N 2 2 294.399 0.969 20 0 CCADLP Cc1cc(C[N@H+](C)CCN(C)C(=O)C[NH+]2CCCC2)on1 ZINC001422235004 927166275 /nfs/dbraw/zinc/16/62/75/927166275.db2.gz IKIGBYWBRHLZAP-UHFFFAOYSA-N 2 2 294.399 0.969 20 0 CCADLP C[C@H](C[NH2+]C[C@H](C)O)NC(=O)c1cccc2[nH+]ccn21 ZINC001422544229 927360939 /nfs/dbraw/zinc/36/09/39/927360939.db2.gz TXVCWVIQUATWOG-MNOVXSKESA-N 2 2 276.340 0.423 20 0 CCADLP C[C@H](C[NH2+]C[C@H]1CCCCO1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001422573689 927380448 /nfs/dbraw/zinc/38/04/48/927380448.db2.gz XFCKCQWWQRKMGB-DGCLKSJQSA-N 2 2 280.372 0.616 20 0 CCADLP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+](Cc2ccn(C)n2)C1 ZINC001422737216 927481998 /nfs/dbraw/zinc/48/19/98/927481998.db2.gz XIDGLEFVDMOFIQ-LBPRGKRZSA-N 2 2 293.415 0.308 20 0 CCADLP Cc1conc1C[NH+]1CC([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001422737686 927482469 /nfs/dbraw/zinc/48/24/69/927482469.db2.gz YSXSSPYOPZUTGP-GFCCVEGCSA-N 2 2 294.399 0.871 20 0 CCADLP COC[C@H](C)[NH+]1CC([C@H](C)NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001422751115 927487154 /nfs/dbraw/zinc/48/71/54/927487154.db2.gz AVDKSFPHFHVNEV-QWRGUYRKSA-N 2 2 294.399 0.732 20 0 CCADLP C[C@@H](CC[NH+](C)C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC001361995741 927506796 /nfs/dbraw/zinc/50/67/96/927506796.db2.gz PLGYYMXWZNCMJT-QWHCGFSZSA-N 2 2 271.405 0.411 20 0 CCADLP C[C@@H](CC[NH+](C)C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC001361995741 927506806 /nfs/dbraw/zinc/50/68/06/927506806.db2.gz PLGYYMXWZNCMJT-QWHCGFSZSA-N 2 2 271.405 0.411 20 0 CCADLP C[C@@H](C[N@H+](C)CCCO)NC(=O)CCc1[nH+]ccn1C ZINC001422843885 927545352 /nfs/dbraw/zinc/54/53/52/927545352.db2.gz HDAXNACXYFDJOA-LBPRGKRZSA-N 2 2 282.388 0.172 20 0 CCADLP C[C@@H](C[N@@H+](C)CCCO)NC(=O)CCc1[nH+]ccn1C ZINC001422843885 927545362 /nfs/dbraw/zinc/54/53/62/927545362.db2.gz HDAXNACXYFDJOA-LBPRGKRZSA-N 2 2 282.388 0.172 20 0 CCADLP C[C@@H]([NH2+]CCF)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001422853627 927554309 /nfs/dbraw/zinc/55/43/09/927554309.db2.gz MQSNNDWAJXHSAY-VXGBXAGGSA-N 2 2 284.335 0.058 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001423045111 927644026 /nfs/dbraw/zinc/64/40/26/927644026.db2.gz JALYNRBMLBDCJZ-JQWIXIFHSA-N 2 2 295.387 0.409 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001423045111 927644038 /nfs/dbraw/zinc/64/40/38/927644038.db2.gz JALYNRBMLBDCJZ-JQWIXIFHSA-N 2 2 295.387 0.409 20 0 CCADLP CC(C)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001423796601 927982520 /nfs/dbraw/zinc/98/25/20/927982520.db2.gz RFDCOZDSPXKHIU-CQSZACIVSA-N 2 2 280.372 0.161 20 0 CCADLP CC(C)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001423796601 927982529 /nfs/dbraw/zinc/98/25/29/927982529.db2.gz RFDCOZDSPXKHIU-CQSZACIVSA-N 2 2 280.372 0.161 20 0 CCADLP CC(=O)NCC[NH+]1CCC([NH2+]CCC2CCOCC2)CC1 ZINC001423994880 928050157 /nfs/dbraw/zinc/05/01/57/928050157.db2.gz CHDYSJVXOJAFBO-UHFFFAOYSA-N 2 2 297.443 0.993 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001424120033 928103574 /nfs/dbraw/zinc/10/35/74/928103574.db2.gz BCDUEJYBWVGPRG-AWEZNQCLSA-N 2 2 294.399 0.809 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001424120033 928103580 /nfs/dbraw/zinc/10/35/80/928103580.db2.gz BCDUEJYBWVGPRG-AWEZNQCLSA-N 2 2 294.399 0.809 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001424152477 928115259 /nfs/dbraw/zinc/11/52/59/928115259.db2.gz GFUWTUCVNLDYGD-CHWSQXEVSA-N 2 2 294.399 0.958 20 0 CCADLP CC(C)C[NH+]1CCC(C(=O)N2CC[N@H+](C)[C@H](CO)C2)CC1 ZINC001362769585 928466664 /nfs/dbraw/zinc/46/66/64/928466664.db2.gz MFINEJQOQYFSDJ-HNNXBMFYSA-N 2 2 297.443 0.489 20 0 CCADLP CC(C)C[NH+]1CCC(C(=O)N2CC[N@@H+](C)[C@H](CO)C2)CC1 ZINC001362769585 928466672 /nfs/dbraw/zinc/46/66/72/928466672.db2.gz MFINEJQOQYFSDJ-HNNXBMFYSA-N 2 2 297.443 0.489 20 0 CCADLP CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CCO1 ZINC001425364337 928526478 /nfs/dbraw/zinc/52/64/78/928526478.db2.gz CACOJXDPSZKYGB-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC001425684490 928625131 /nfs/dbraw/zinc/62/51/31/928625131.db2.gz SWRBZNTXGWGIKI-LLVKDONJSA-N 2 2 296.419 0.391 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC001425684490 928625134 /nfs/dbraw/zinc/62/51/34/928625134.db2.gz SWRBZNTXGWGIKI-LLVKDONJSA-N 2 2 296.419 0.391 20 0 CCADLP Cc1nonc1C[NH2+][C@H](C)CN(C)C(=O)C[NH+]1CCCC1 ZINC001425685000 928625202 /nfs/dbraw/zinc/62/52/02/928625202.db2.gz QRUFVOPTLIZVRX-LLVKDONJSA-N 2 2 295.387 0.410 20 0 CCADLP CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001426069668 928751424 /nfs/dbraw/zinc/75/14/24/928751424.db2.gz SHTCGMDFSMQDIR-OLZOCXBDSA-N 2 2 294.399 0.217 20 0 CCADLP CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001426069668 928751429 /nfs/dbraw/zinc/75/14/29/928751429.db2.gz SHTCGMDFSMQDIR-OLZOCXBDSA-N 2 2 294.399 0.217 20 0 CCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)C1 ZINC001363518074 929320294 /nfs/dbraw/zinc/32/02/94/929320294.db2.gz CJIXWERJJPVFDR-OCCSQVGLSA-N 2 2 294.399 0.551 20 0 CCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)C1 ZINC001363518074 929320298 /nfs/dbraw/zinc/32/02/98/929320298.db2.gz CJIXWERJJPVFDR-OCCSQVGLSA-N 2 2 294.399 0.551 20 0 CCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)C1 ZINC001363518074 929320302 /nfs/dbraw/zinc/32/03/02/929320302.db2.gz CJIXWERJJPVFDR-OCCSQVGLSA-N 2 2 294.399 0.551 20 0 CCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)C1 ZINC001363518074 929320308 /nfs/dbraw/zinc/32/03/08/929320308.db2.gz CJIXWERJJPVFDR-OCCSQVGLSA-N 2 2 294.399 0.551 20 0 CCADLP C[N@H+](CC(=O)N[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CCC[C@H]1O ZINC001363535949 929336553 /nfs/dbraw/zinc/33/65/53/929336553.db2.gz YVXQLFXZEHKETP-IACUBPJLSA-N 2 2 292.383 0.159 20 0 CCADLP C[N@@H+](CC(=O)N[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CCC[C@H]1O ZINC001363535949 929336565 /nfs/dbraw/zinc/33/65/65/929336565.db2.gz YVXQLFXZEHKETP-IACUBPJLSA-N 2 2 292.383 0.159 20 0 CCADLP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C/C=C\Cl ZINC001443677161 929671850 /nfs/dbraw/zinc/67/18/50/929671850.db2.gz FUUSYIUGMXMWIF-OPUZMVJGSA-N 2 2 271.792 0.976 20 0 CCADLP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C/C=C\Cl ZINC001443677161 929671857 /nfs/dbraw/zinc/67/18/57/929671857.db2.gz FUUSYIUGMXMWIF-OPUZMVJGSA-N 2 2 271.792 0.976 20 0 CCADLP CC[C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]CCF ZINC001443948745 929749711 /nfs/dbraw/zinc/74/97/11/929749711.db2.gz FKEPPLFGEMYODD-NWDGAFQWSA-N 2 2 282.363 0.899 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001372568582 929885715 /nfs/dbraw/zinc/88/57/15/929885715.db2.gz RWRSYXOUDZAFID-AAEUAGOBSA-N 2 2 294.399 0.876 20 0 CCADLP CO[C@@H](C)C[N@H+]1CCC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001372568582 929885718 /nfs/dbraw/zinc/88/57/18/929885718.db2.gz RWRSYXOUDZAFID-AAEUAGOBSA-N 2 2 294.399 0.876 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001372632204 929901908 /nfs/dbraw/zinc/90/19/08/929901908.db2.gz IPRLGWBOBUPICB-KBPBESRZSA-N 2 2 294.399 0.746 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001372632204 929901913 /nfs/dbraw/zinc/90/19/13/929901913.db2.gz IPRLGWBOBUPICB-KBPBESRZSA-N 2 2 294.399 0.746 20 0 CCADLP Cc1noc([C@H](C)[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C)n1 ZINC001444671672 929929076 /nfs/dbraw/zinc/92/90/76/929929076.db2.gz RZCPUWAHQIIOPX-QWRGUYRKSA-N 2 2 297.403 0.827 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[N@H+](C[C@H]1CCOC1)C1CC1 ZINC001372863670 929994685 /nfs/dbraw/zinc/99/46/85/929994685.db2.gz XICVMUSBGPJYBD-GFCCVEGCSA-N 2 2 292.383 0.569 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC001372863670 929994696 /nfs/dbraw/zinc/99/46/96/929994696.db2.gz XICVMUSBGPJYBD-GFCCVEGCSA-N 2 2 292.383 0.569 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001373253409 930119434 /nfs/dbraw/zinc/11/94/34/930119434.db2.gz PMPMWOSOKWUOQI-CHWSQXEVSA-N 2 2 280.372 0.092 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001373253409 930119437 /nfs/dbraw/zinc/11/94/37/930119437.db2.gz PMPMWOSOKWUOQI-CHWSQXEVSA-N 2 2 280.372 0.092 20 0 CCADLP COC[C@H](C)[NH+]1CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001373526021 930230784 /nfs/dbraw/zinc/23/07/84/930230784.db2.gz JUUORSSSPHYMNF-LBPRGKRZSA-N 2 2 280.372 0.356 20 0 CCADLP CCn1ccc(C[N@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001445806754 930251410 /nfs/dbraw/zinc/25/14/10/930251410.db2.gz ZIYMSHWWOJTMLR-CYBMUJFWSA-N 2 2 295.431 0.791 20 0 CCADLP CCn1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001445806754 930251419 /nfs/dbraw/zinc/25/14/19/930251419.db2.gz ZIYMSHWWOJTMLR-CYBMUJFWSA-N 2 2 295.431 0.791 20 0 CCADLP C[C@H](C[N@H+](C)CCOC1CCC1)NC(=O)Cn1cc[nH+]c1 ZINC001445864413 930274050 /nfs/dbraw/zinc/27/40/50/930274050.db2.gz GXOWLFBNDGHGKD-CYBMUJFWSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@H](C[N@@H+](C)CCOC1CCC1)NC(=O)Cn1cc[nH+]c1 ZINC001445864413 930274066 /nfs/dbraw/zinc/27/40/66/930274066.db2.gz GXOWLFBNDGHGKD-CYBMUJFWSA-N 2 2 294.399 0.889 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@](C)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001373896572 930366764 /nfs/dbraw/zinc/36/67/64/930366764.db2.gz JICVFRVXXLIQEF-NHYWBVRUSA-N 2 2 294.399 0.862 20 0 CCADLP CC(C)OCC[NH+]1CC(N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001446414122 930405996 /nfs/dbraw/zinc/40/59/96/930405996.db2.gz IXRRXGAXVDOCSP-UHFFFAOYSA-N 2 2 285.432 0.894 20 0 CCADLP CC(C)OCC[NH+]1CC(N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001446414122 930406005 /nfs/dbraw/zinc/40/60/05/930406005.db2.gz IXRRXGAXVDOCSP-UHFFFAOYSA-N 2 2 285.432 0.894 20 0 CCADLP CN(C)c1cc[nH+]c(NC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)c1 ZINC001446766797 930480911 /nfs/dbraw/zinc/48/09/11/930480911.db2.gz STFXVNBHOJJKGM-CHWSQXEVSA-N 2 2 292.383 0.931 20 0 CCADLP CN(C)c1cc[nH+]c(NC(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)c1 ZINC001446766797 930480927 /nfs/dbraw/zinc/48/09/27/930480927.db2.gz STFXVNBHOJJKGM-CHWSQXEVSA-N 2 2 292.383 0.931 20 0 CCADLP CC(C)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001374617897 930597374 /nfs/dbraw/zinc/59/73/74/930597374.db2.gz NBHCMCUTIQCWIG-CHWSQXEVSA-N 2 2 294.399 0.168 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCC[N@@H+](CCO)CC1 ZINC001447300651 930603186 /nfs/dbraw/zinc/60/31/86/930603186.db2.gz GMAOBWIANMKDAR-LBPRGKRZSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCC[N@H+](CCO)CC1 ZINC001447300651 930603192 /nfs/dbraw/zinc/60/31/92/930603192.db2.gz GMAOBWIANMKDAR-LBPRGKRZSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCC[N@@H+](CCO)CC1 ZINC001447300651 930603202 /nfs/dbraw/zinc/60/32/02/930603202.db2.gz GMAOBWIANMKDAR-LBPRGKRZSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCC[N@H+](CCO)CC1 ZINC001447300651 930603210 /nfs/dbraw/zinc/60/32/10/930603210.db2.gz GMAOBWIANMKDAR-LBPRGKRZSA-N 2 2 280.372 0.305 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCC[C@H](C)[NH2+]C[C@@H](C)O)c[nH+]1 ZINC001447648679 930676344 /nfs/dbraw/zinc/67/63/44/930676344.db2.gz AMBQSJRBZGBVGL-WCQYABFASA-N 2 2 296.415 0.792 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001447756161 930697992 /nfs/dbraw/zinc/69/79/92/930697992.db2.gz ABGIPEFYGJMWRI-STQMWFEESA-N 2 2 280.372 0.235 20 0 CCADLP C[N@H+](CCO)C[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001447759760 930699429 /nfs/dbraw/zinc/69/94/29/930699429.db2.gz MBZXSFNWRZTNQQ-ZDUSSCGKSA-N 2 2 280.372 0.257 20 0 CCADLP C[N@@H+](CCO)C[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001447759760 930699435 /nfs/dbraw/zinc/69/94/35/930699435.db2.gz MBZXSFNWRZTNQQ-ZDUSSCGKSA-N 2 2 280.372 0.257 20 0 CCADLP C[N@H+](CCO)C[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001447759760 930699439 /nfs/dbraw/zinc/69/94/39/930699439.db2.gz MBZXSFNWRZTNQQ-ZDUSSCGKSA-N 2 2 280.372 0.257 20 0 CCADLP C[N@@H+](CCO)C[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001447759760 930699441 /nfs/dbraw/zinc/69/94/41/930699441.db2.gz MBZXSFNWRZTNQQ-ZDUSSCGKSA-N 2 2 280.372 0.257 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cnon1 ZINC001447884063 930743841 /nfs/dbraw/zinc/74/38/41/930743841.db2.gz VFKBLCPBNRLVGV-MNOVXSKESA-N 2 2 292.343 0.258 20 0 CCADLP C[C@@H]([NH2+]CCn1cccn1)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001447918476 930755102 /nfs/dbraw/zinc/75/51/02/930755102.db2.gz YUSHOHVDTHCFAH-NEPJUHHUSA-N 2 2 290.371 0.332 20 0 CCADLP C[C@@H](CC[NH+](C)C)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC001448028192 930790511 /nfs/dbraw/zinc/79/05/11/930790511.db2.gz YFBNSHGTHNCCJU-NWDGAFQWSA-N 2 2 264.373 0.902 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[N@H+](C)CCCO ZINC001448043864 930795508 /nfs/dbraw/zinc/79/55/08/930795508.db2.gz IOUQAFPWBKSFPP-OLZOCXBDSA-N 2 2 294.399 0.264 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[N@@H+](C)CCCO ZINC001448043864 930795515 /nfs/dbraw/zinc/79/55/15/930795515.db2.gz IOUQAFPWBKSFPP-OLZOCXBDSA-N 2 2 294.399 0.264 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H](C[NH2+]C[C@H]1CCOC1)C1CC1 ZINC001375263672 930831608 /nfs/dbraw/zinc/83/16/08/930831608.db2.gz DTNCCEDHSKBZBT-DGCLKSJQSA-N 2 2 292.383 0.473 20 0 CCADLP CC(C)C[NH+]1CC(CCO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001448206898 930851009 /nfs/dbraw/zinc/85/10/09/930851009.db2.gz CTSKIQVNZNHMMK-UHFFFAOYSA-N 2 2 280.372 0.092 20 0 CCADLP CC(C)[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001449124707 931077368 /nfs/dbraw/zinc/07/73/68/931077368.db2.gz JEEUICKNFXWDFU-QJPTWQEYSA-N 2 2 280.372 0.331 20 0 CCADLP CC(C)[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001449124707 931077378 /nfs/dbraw/zinc/07/73/78/931077378.db2.gz JEEUICKNFXWDFU-QJPTWQEYSA-N 2 2 280.372 0.331 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)NCC1(O)C[NH+](CC2CCC2)C1 ZINC001376197884 931088253 /nfs/dbraw/zinc/08/82/53/931088253.db2.gz YASMGBKOTMLBCL-AWEZNQCLSA-N 2 2 295.427 0.434 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)NCC1(O)C[NH+](CC2CCC2)C1 ZINC001376197884 931088257 /nfs/dbraw/zinc/08/82/57/931088257.db2.gz YASMGBKOTMLBCL-AWEZNQCLSA-N 2 2 295.427 0.434 20 0 CCADLP C[C@H](O)C[N@H+](C)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001376289522 931114820 /nfs/dbraw/zinc/11/48/20/931114820.db2.gz JIDQQQIXGSUURA-UONOGXRCSA-N 2 2 294.399 0.434 20 0 CCADLP C[C@H](O)C[N@@H+](C)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001376289522 931114829 /nfs/dbraw/zinc/11/48/29/931114829.db2.gz JIDQQQIXGSUURA-UONOGXRCSA-N 2 2 294.399 0.434 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+]Cc1csnn1 ZINC001376868679 931309652 /nfs/dbraw/zinc/30/96/52/931309652.db2.gz SFTFFKHNEAQIGD-SECBINFHSA-N 2 2 294.384 0.338 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)NC(C)(C)CN1CC[NH+](CC)CC1 ZINC001451655671 931468702 /nfs/dbraw/zinc/46/87/02/931468702.db2.gz LNIMLDCYCKLVGN-CQSZACIVSA-N 2 2 296.459 0.613 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)NC(C)(C)CN1CC[NH+](CC)CC1 ZINC001451655671 931468706 /nfs/dbraw/zinc/46/87/06/931468706.db2.gz LNIMLDCYCKLVGN-CQSZACIVSA-N 2 2 296.459 0.613 20 0 CCADLP Cc1c[nH+]c(NCC[NH+](C)C)nc1NCC[NH+](C)C ZINC000090998392 349446214 /nfs/dbraw/zinc/44/62/14/349446214.db2.gz DYGCHANJLDCPOQ-UHFFFAOYSA-N 3 2 266.393 0.732 20 0 CCADLP Cc1[nH+]ccn1CCCN1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000337409259 214063749 /nfs/dbraw/zinc/06/37/49/214063749.db2.gz KPUNDYGCLOEWQI-KGLIPLIRSA-N 2 2 280.416 0.969 20 0 CCADLP Cc1[nH+]ccn1CCCN1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000337409259 214063753 /nfs/dbraw/zinc/06/37/53/214063753.db2.gz KPUNDYGCLOEWQI-KGLIPLIRSA-N 2 2 280.416 0.969 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CCN(C[C@H](C)O)C[C@H]1C ZINC000337409259 214063756 /nfs/dbraw/zinc/06/37/56/214063756.db2.gz KPUNDYGCLOEWQI-KGLIPLIRSA-N 2 2 280.416 0.969 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCN(C[C@H](C)O)C[C@H]1C ZINC000337409259 214063759 /nfs/dbraw/zinc/06/37/59/214063759.db2.gz KPUNDYGCLOEWQI-KGLIPLIRSA-N 2 2 280.416 0.969 20 0 CCADLP CC[N@@H+]1CCCN(c2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000092896740 349510184 /nfs/dbraw/zinc/51/01/84/349510184.db2.gz FPWYWLXOIWTYNP-UHFFFAOYSA-N 2 2 287.371 0.777 20 0 CCADLP CC[N@H+]1CCCN(c2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000092896740 349510188 /nfs/dbraw/zinc/51/01/88/349510188.db2.gz FPWYWLXOIWTYNP-UHFFFAOYSA-N 2 2 287.371 0.777 20 0 CCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000092950369 349513425 /nfs/dbraw/zinc/51/34/25/349513425.db2.gz IJUWDROGNCYZSP-STQMWFEESA-N 2 2 274.368 0.728 20 0 CCADLP CC(C)[C@H]1CN(CC[N@@H+]2CCO[C@@H](C)C2)CC[NH+]1C ZINC000337464765 214099039 /nfs/dbraw/zinc/09/90/39/214099039.db2.gz MDURDTXRKDZIBB-LSDHHAIUSA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@H]1CN(CC[N@H+]2CCO[C@@H](C)C2)CC[NH+]1C ZINC000337464765 214099040 /nfs/dbraw/zinc/09/90/40/214099040.db2.gz MDURDTXRKDZIBB-LSDHHAIUSA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@H]1CN(CC[NH+]2CCO[C@@H](C)C2)CC[N@@H+]1C ZINC000337464765 214099041 /nfs/dbraw/zinc/09/90/41/214099041.db2.gz MDURDTXRKDZIBB-LSDHHAIUSA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@H]1CN(CC[NH+]2CCO[C@@H](C)C2)CC[N@H+]1C ZINC000337464765 214099043 /nfs/dbraw/zinc/09/90/43/214099043.db2.gz MDURDTXRKDZIBB-LSDHHAIUSA-N 2 2 269.433 0.979 20 0 CCADLP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC000415113038 282098395 /nfs/dbraw/zinc/09/83/95/282098395.db2.gz SGSYPUVNHYQXDT-OAHLLOKOSA-N 3 2 268.449 0.602 20 0 CCADLP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC000415113038 282098398 /nfs/dbraw/zinc/09/83/98/282098398.db2.gz SGSYPUVNHYQXDT-OAHLLOKOSA-N 3 2 268.449 0.602 20 0 CCADLP CC[NH+](CC)CC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000337596020 214173311 /nfs/dbraw/zinc/17/33/11/214173311.db2.gz JRXKVFHRJXQEIY-CYBMUJFWSA-N 2 2 271.405 0.507 20 0 CCADLP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000333356850 282125485 /nfs/dbraw/zinc/12/54/85/282125485.db2.gz WUBSUGDDHYDBRH-CHWSQXEVSA-N 2 2 292.383 0.235 20 0 CCADLP Cc1cc2ncc([C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)c(C)n2n1 ZINC000093406046 349541401 /nfs/dbraw/zinc/54/14/01/349541401.db2.gz QMPXSSFINONANZ-DGCLKSJQSA-N 2 2 291.399 0.919 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+](C)CC(C)(C)C[NH3+])on1 ZINC000093874211 349554696 /nfs/dbraw/zinc/55/46/96/349554696.db2.gz ZTWNCKURWAEPID-UHFFFAOYSA-N 2 2 254.334 0.838 20 0 CCADLP Cc1cc(NC(=O)C[N@H+](C)CC(C)(C)C[NH3+])on1 ZINC000093874211 349554700 /nfs/dbraw/zinc/55/47/00/349554700.db2.gz ZTWNCKURWAEPID-UHFFFAOYSA-N 2 2 254.334 0.838 20 0 CCADLP C[N@H+](CC(=O)Nc1nccs1)CC(C)(C)C[NH3+] ZINC000093874487 349555218 /nfs/dbraw/zinc/55/52/18/349555218.db2.gz YDJYEKCUAKKRKC-UHFFFAOYSA-N 2 2 256.375 0.998 20 0 CCADLP C[N@@H+](CC(=O)Nc1nccs1)CC(C)(C)C[NH3+] ZINC000093874487 349555220 /nfs/dbraw/zinc/55/52/20/349555220.db2.gz YDJYEKCUAKKRKC-UHFFFAOYSA-N 2 2 256.375 0.998 20 0 CCADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000456357311 529387636 /nfs/dbraw/zinc/38/76/36/529387636.db2.gz SCCPVBGTVVCQEK-LSDHHAIUSA-N 2 2 296.459 0.565 20 0 CCADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000456357311 529387639 /nfs/dbraw/zinc/38/76/39/529387639.db2.gz SCCPVBGTVVCQEK-LSDHHAIUSA-N 2 2 296.459 0.565 20 0 CCADLP COC(=O)CN1CCC([NH2+]C[C@H]2CCC[N@@H+]2C)CC1 ZINC000600191240 361886511 /nfs/dbraw/zinc/88/65/11/361886511.db2.gz SRLBJUIMLXEPDF-CYBMUJFWSA-N 2 2 269.389 0.308 20 0 CCADLP COC(=O)CN1CCC([NH2+]C[C@H]2CCC[N@H+]2C)CC1 ZINC000600191240 361886518 /nfs/dbraw/zinc/88/65/18/361886518.db2.gz SRLBJUIMLXEPDF-CYBMUJFWSA-N 2 2 269.389 0.308 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)NCCCC[NH3+])CCO1 ZINC000418509987 529391460 /nfs/dbraw/zinc/39/14/60/529391460.db2.gz NAZWNIWSJOMERL-GFCCVEGCSA-N 2 2 272.393 0.135 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NCCCC[NH3+])CCO1 ZINC000418509987 529391462 /nfs/dbraw/zinc/39/14/62/529391462.db2.gz NAZWNIWSJOMERL-GFCCVEGCSA-N 2 2 272.393 0.135 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@H]2CC[NH2+]C[C@H]2C)CCO1 ZINC000418604940 529392959 /nfs/dbraw/zinc/39/29/59/529392959.db2.gz YDLDDEGDTBVNJH-MCIONIFRSA-N 2 2 298.431 0.394 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2CC[NH2+]C[C@H]2C)CCO1 ZINC000418604940 529392961 /nfs/dbraw/zinc/39/29/61/529392961.db2.gz YDLDDEGDTBVNJH-MCIONIFRSA-N 2 2 298.431 0.394 20 0 CCADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000423780768 529397813 /nfs/dbraw/zinc/39/78/13/529397813.db2.gz KBFDZRWZZZYDOL-BXUZGUMPSA-N 2 2 291.399 0.807 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+](CC2CC2)CC1)N1CC[NH+](C)CC1 ZINC000338055968 214381903 /nfs/dbraw/zinc/38/19/03/214381903.db2.gz ONKDYJZUNPPFLQ-AWEZNQCLSA-N 2 2 294.443 0.177 20 0 CCADLP COC[C@@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000262946033 536662667 /nfs/dbraw/zinc/66/26/67/536662667.db2.gz AWBPNQCNQQGUCS-GFCCVEGCSA-N 2 2 278.356 0.272 20 0 CCADLP CC[C@@H](C[NH+]1CCN(Cc2[nH+]ccn2C)CC1)OC ZINC000412980356 529473999 /nfs/dbraw/zinc/47/39/99/529473999.db2.gz XAVSKYDNYJFYGX-ZDUSSCGKSA-N 2 2 266.389 0.963 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)C[NH+]2CC(C)(C)C2)C(C)(C)C1 ZINC000655167713 412497011 /nfs/dbraw/zinc/49/70/11/412497011.db2.gz RUHSPCXVAFEYFN-UHFFFAOYSA-N 2 2 297.443 0.897 20 0 CCADLP COCC[N@H+]1CCN(C(=O)C[NH+]2CC(C)(C)C2)C(C)(C)C1 ZINC000655167713 412497015 /nfs/dbraw/zinc/49/70/15/412497015.db2.gz RUHSPCXVAFEYFN-UHFFFAOYSA-N 2 2 297.443 0.897 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000492620864 529553480 /nfs/dbraw/zinc/55/34/80/529553480.db2.gz GQIRPYBKWKNIQH-NNTXTVRGSA-N 2 2 278.356 0.099 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000492620864 529553484 /nfs/dbraw/zinc/55/34/84/529553484.db2.gz GQIRPYBKWKNIQH-NNTXTVRGSA-N 2 2 278.356 0.099 20 0 CCADLP CCc1noc(C[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1 ZINC000107371338 349736605 /nfs/dbraw/zinc/73/66/05/349736605.db2.gz BGXYDDSBAFWEAS-CYBMUJFWSA-N 2 2 293.415 0.844 20 0 CCADLP CCc1noc(C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1 ZINC000107371338 349736609 /nfs/dbraw/zinc/73/66/09/349736609.db2.gz BGXYDDSBAFWEAS-CYBMUJFWSA-N 2 2 293.415 0.844 20 0 CCADLP CCCNC(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000107369162 349737095 /nfs/dbraw/zinc/73/70/95/349737095.db2.gz CWVMPBLNQVATRL-CQSZACIVSA-N 2 2 282.432 0.224 20 0 CCADLP CCCNC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000107369162 349737097 /nfs/dbraw/zinc/73/70/97/349737097.db2.gz CWVMPBLNQVATRL-CQSZACIVSA-N 2 2 282.432 0.224 20 0 CCADLP C[C@@H](C(=O)N1CCCCCC1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107579471 349738549 /nfs/dbraw/zinc/73/85/49/349738549.db2.gz GFYOWLPBEOYDOJ-MELADBBJSA-N 2 2 265.401 0.929 20 0 CCADLP C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107579471 349738552 /nfs/dbraw/zinc/73/85/52/349738552.db2.gz GFYOWLPBEOYDOJ-MELADBBJSA-N 2 2 265.401 0.929 20 0 CCADLP O=c1[nH]c2ccccc2n1CCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107855727 349741576 /nfs/dbraw/zinc/74/15/76/349741576.db2.gz IENNQEHZWOHEOS-CHWSQXEVSA-N 2 2 286.379 0.871 20 0 CCADLP CCC(CC)[C@@H](C(=O)NCC[NH+](C)C)[NH+]1CCOCC1 ZINC000175472468 282222963 /nfs/dbraw/zinc/22/29/63/282222963.db2.gz IJUDGTQRFIFWOA-AWEZNQCLSA-N 2 2 285.432 0.801 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCOCC(=O)OC(C)(C)C ZINC000601144356 362157042 /nfs/dbraw/zinc/15/70/42/362157042.db2.gz JVJCKKGYQSLBOQ-RYUDHWBXSA-N 2 2 272.389 0.884 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCOCC(=O)OC(C)(C)C ZINC000601144356 362157046 /nfs/dbraw/zinc/15/70/46/362157046.db2.gz JVJCKKGYQSLBOQ-RYUDHWBXSA-N 2 2 272.389 0.884 20 0 CCADLP CS[C@@H]1CN(c2nc(C)[nH+]c(N)n2)C[C@H]1[NH+]1CCCC1 ZINC000601145840 362158671 /nfs/dbraw/zinc/15/86/71/362158671.db2.gz SNZLEIAZXUZZNA-GHMZBOCLSA-N 2 2 294.428 0.609 20 0 CCADLP CC[C@H](C)[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000456524766 529699660 /nfs/dbraw/zinc/69/96/60/529699660.db2.gz GQBWNWYDHUVNCS-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@H](C)[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000456524766 529699663 /nfs/dbraw/zinc/69/96/63/529699663.db2.gz GQBWNWYDHUVNCS-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CCC(CC)[C@H](C(=O)NC[C@H](C)[NH2+]C)[NH+]1CCOCC1 ZINC000261648569 282255284 /nfs/dbraw/zinc/25/52/84/282255284.db2.gz DXHVJXWEOTXIMA-GXTWGEPZSA-N 2 2 285.432 0.848 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601334121 362231455 /nfs/dbraw/zinc/23/14/55/362231455.db2.gz IQYCXRAYIAABDN-VXGBXAGGSA-N 2 2 296.415 0.685 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601334121 362231461 /nfs/dbraw/zinc/23/14/61/362231461.db2.gz IQYCXRAYIAABDN-VXGBXAGGSA-N 2 2 296.415 0.685 20 0 CCADLP Cc1nc(N2CC[NH+](CCC3OCCO3)CC2)cc[nH+]1 ZINC000127014275 136385802 /nfs/dbraw/zinc/38/58/02/136385802.db2.gz CHCLHSRJDKBHSX-UHFFFAOYSA-N 2 2 278.356 0.670 20 0 CCADLP C[C@@H](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH+](C)C ZINC000617755694 365759033 /nfs/dbraw/zinc/75/90/33/365759033.db2.gz SQAMTVPBPUQNHS-RYUDHWBXSA-N 2 2 264.373 0.902 20 0 CCADLP C[C@@H](CCNC(=O)C1([NH+]2CCOCC2)CCC1)[NH+](C)C ZINC000617757145 365760064 /nfs/dbraw/zinc/76/00/64/365760064.db2.gz WNFONXWVVVXXAX-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP CCC(=O)C1(C(=O)NCC[N@H+](C)CCC[NH+](C)C)CC1 ZINC000617762140 365764402 /nfs/dbraw/zinc/76/44/02/365764402.db2.gz IDYDKRUEBLMRJP-UHFFFAOYSA-N 2 2 283.416 0.745 20 0 CCADLP CCC(=O)C1(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000617762140 365764407 /nfs/dbraw/zinc/76/44/07/365764407.db2.gz IDYDKRUEBLMRJP-UHFFFAOYSA-N 2 2 283.416 0.745 20 0 CCADLP CCOc1nc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)co1 ZINC000617764815 365768425 /nfs/dbraw/zinc/76/84/25/365768425.db2.gz IBRNJZNNLKYNMC-UHFFFAOYSA-N 2 2 298.387 0.687 20 0 CCADLP CCOc1nc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)co1 ZINC000617764815 365768427 /nfs/dbraw/zinc/76/84/27/365768427.db2.gz IBRNJZNNLKYNMC-UHFFFAOYSA-N 2 2 298.387 0.687 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@@H]1CCCC[C@H]1O ZINC000617764486 365768933 /nfs/dbraw/zinc/76/89/33/365768933.db2.gz ZIPOBZUKKLKRDD-LSDHHAIUSA-N 2 2 299.459 0.927 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@@H]1CCCC[C@H]1O ZINC000617764486 365768939 /nfs/dbraw/zinc/76/89/39/365768939.db2.gz ZIPOBZUKKLKRDD-LSDHHAIUSA-N 2 2 299.459 0.927 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000617764871 365769539 /nfs/dbraw/zinc/76/95/39/365769539.db2.gz JWKRCSUKLBSWSJ-MJBXVCDLSA-N 2 2 283.416 0.411 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000617764871 365769543 /nfs/dbraw/zinc/76/95/43/365769543.db2.gz JWKRCSUKLBSWSJ-MJBXVCDLSA-N 2 2 283.416 0.411 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1=CCOCC1 ZINC000617765201 365770280 /nfs/dbraw/zinc/77/02/80/365770280.db2.gz XBXLFSYFJSAYCZ-UHFFFAOYSA-N 2 2 269.389 0.333 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1=CCOCC1 ZINC000617765201 365770285 /nfs/dbraw/zinc/77/02/85/365770285.db2.gz XBXLFSYFJSAYCZ-UHFFFAOYSA-N 2 2 269.389 0.333 20 0 CCADLP Cc1cnc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000617768531 365773490 /nfs/dbraw/zinc/77/34/90/365773490.db2.gz IAUQKODWKHUWQT-UHFFFAOYSA-N 2 2 279.388 0.398 20 0 CCADLP Cc1cnc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cn1 ZINC000617768531 365773495 /nfs/dbraw/zinc/77/34/95/365773495.db2.gz IAUQKODWKHUWQT-UHFFFAOYSA-N 2 2 279.388 0.398 20 0 CCADLP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000573486098 334941414 /nfs/dbraw/zinc/94/14/14/334941414.db2.gz XDSGEXANRUTJHC-GFCCVEGCSA-N 2 2 277.368 0.456 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000423748375 529783764 /nfs/dbraw/zinc/78/37/64/529783764.db2.gz QSPFIPBELWWWMH-UONOGXRCSA-N 2 2 295.358 0.315 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000423748375 529783765 /nfs/dbraw/zinc/78/37/65/529783765.db2.gz QSPFIPBELWWWMH-UONOGXRCSA-N 2 2 295.358 0.315 20 0 CCADLP CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)C[NH3+])C1 ZINC000423933467 529815245 /nfs/dbraw/zinc/81/52/45/529815245.db2.gz VXMPZQCHIJIEDW-JTQLQIEISA-N 2 2 264.329 0.086 20 0 CCADLP CN1C[C@@H](C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)OC1=O ZINC000495792328 529817543 /nfs/dbraw/zinc/81/75/43/529817543.db2.gz HLNWMCXMOBAOIQ-KGLIPLIRSA-N 2 2 297.399 0.481 20 0 CCADLP CN1C[C@@H](C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)OC1=O ZINC000495792328 529817544 /nfs/dbraw/zinc/81/75/44/529817544.db2.gz HLNWMCXMOBAOIQ-KGLIPLIRSA-N 2 2 297.399 0.481 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000423749447 529911013 /nfs/dbraw/zinc/91/10/13/529911013.db2.gz RRJLDJPFHWQQCV-OAHLLOKOSA-N 2 2 291.395 0.867 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000423744545 529911071 /nfs/dbraw/zinc/91/10/71/529911071.db2.gz LMZJWWIUQAUMBL-UONOGXRCSA-N 2 2 283.416 0.685 20 0 CCADLP C[NH2+]CC(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000423909458 529956222 /nfs/dbraw/zinc/95/62/22/529956222.db2.gz DQJDFTOVCMNSDV-QWRGUYRKSA-N 2 2 285.388 0.996 20 0 CCADLP C[NH2+]CC(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000423909458 529956223 /nfs/dbraw/zinc/95/62/23/529956223.db2.gz DQJDFTOVCMNSDV-QWRGUYRKSA-N 2 2 285.388 0.996 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@]3(CCOC3)C2)CC1 ZINC000451908177 530068118 /nfs/dbraw/zinc/06/81/18/530068118.db2.gz VXDKPFOQICJBDJ-HNNXBMFYSA-N 2 2 281.400 0.263 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@]3(CCOC3)C2)CC1 ZINC000451908177 530068119 /nfs/dbraw/zinc/06/81/19/530068119.db2.gz VXDKPFOQICJBDJ-HNNXBMFYSA-N 2 2 281.400 0.263 20 0 CCADLP [NH3+][C@H]1CCC[C@@H]1CC(=O)NCCCn1cc[nH+]c1 ZINC000340110973 232032579 /nfs/dbraw/zinc/03/25/79/232032579.db2.gz BGXQWKWTYVUHAU-NEPJUHHUSA-N 2 2 250.346 0.907 20 0 CCADLP Cn1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c(C(C)(C)C)n1 ZINC000358138490 232047690 /nfs/dbraw/zinc/04/76/90/232047690.db2.gz MYCYYCVAYLMYQI-OAHLLOKOSA-N 2 2 280.416 0.874 20 0 CCADLP Cn1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c(C(C)(C)C)n1 ZINC000358138490 232047694 /nfs/dbraw/zinc/04/76/94/232047694.db2.gz MYCYYCVAYLMYQI-OAHLLOKOSA-N 2 2 280.416 0.874 20 0 CCADLP Cc1nn(C)c(C)c1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358154624 232054252 /nfs/dbraw/zinc/05/42/52/232054252.db2.gz DTYVTEWWMZLEEW-CYBMUJFWSA-N 2 2 252.362 0.193 20 0 CCADLP Cc1nn(C)c(C)c1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358154624 232054254 /nfs/dbraw/zinc/05/42/54/232054254.db2.gz DTYVTEWWMZLEEW-CYBMUJFWSA-N 2 2 252.362 0.193 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358476830 232108828 /nfs/dbraw/zinc/10/88/28/232108828.db2.gz JSYZZHJWNFDGBL-CYBMUJFWSA-N 2 2 264.329 0.000 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358476830 232108831 /nfs/dbraw/zinc/10/88/31/232108831.db2.gz JSYZZHJWNFDGBL-CYBMUJFWSA-N 2 2 264.329 0.000 20 0 CCADLP CCOC(=O)c1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)[nH]1 ZINC000602491619 362642727 /nfs/dbraw/zinc/64/27/27/362642727.db2.gz BSLHISUARVIDBT-QWRGUYRKSA-N 2 2 263.341 0.843 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000602503441 362647613 /nfs/dbraw/zinc/64/76/13/362647613.db2.gz JQMGMCNLGLUGNH-NWDGAFQWSA-N 2 2 285.388 0.080 20 0 CCADLP COC(=O)c1[nH]c(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1C ZINC000602532589 362661537 /nfs/dbraw/zinc/66/15/37/362661537.db2.gz ZSNKLUHMNIGANQ-CYBMUJFWSA-N 2 2 295.383 0.656 20 0 CCADLP Cc1cnn(C)c1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000367356358 232317809 /nfs/dbraw/zinc/31/78/09/232317809.db2.gz MITQIVONWQPUER-CQSZACIVSA-N 2 2 278.400 0.883 20 0 CCADLP Cc1cnn(C)c1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000367356358 232317818 /nfs/dbraw/zinc/31/78/18/232317818.db2.gz MITQIVONWQPUER-CQSZACIVSA-N 2 2 278.400 0.883 20 0 CCADLP CCOC(=O)c1ccc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)[nH]1 ZINC000602543956 362669348 /nfs/dbraw/zinc/66/93/48/362669348.db2.gz CZJUULHWRVWJFD-ZDUSSCGKSA-N 2 2 294.399 0.527 20 0 CCADLP CCOC(=O)c1ccc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)[nH]1 ZINC000602543956 362669350 /nfs/dbraw/zinc/66/93/50/362669350.db2.gz CZJUULHWRVWJFD-ZDUSSCGKSA-N 2 2 294.399 0.527 20 0 CCADLP C[C@@H](C[S@@](C)=O)[N@H+](C)C1CC[NH+](CC(C)(C)O)CC1 ZINC000602616513 362714856 /nfs/dbraw/zinc/71/48/56/362714856.db2.gz VISNZDSEEPPRCA-HXPMCKFVSA-N 2 2 290.473 0.921 20 0 CCADLP C[C@@H](C[S@@](C)=O)[N@@H+](C)C1CC[NH+](CC(C)(C)O)CC1 ZINC000602616513 362714859 /nfs/dbraw/zinc/71/48/59/362714859.db2.gz VISNZDSEEPPRCA-HXPMCKFVSA-N 2 2 290.473 0.921 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NCc1ccccc1 ZINC000261539022 137007302 /nfs/dbraw/zinc/00/73/02/137007302.db2.gz BJXCKZXNNYHFHN-CABCVRRESA-N 2 2 273.380 0.844 20 0 CCADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NCc1ccccc1 ZINC000261539022 137007303 /nfs/dbraw/zinc/00/73/03/137007303.db2.gz BJXCKZXNNYHFHN-CABCVRRESA-N 2 2 273.380 0.844 20 0 CCADLP CS(=O)(=O)[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261549604 137007777 /nfs/dbraw/zinc/00/77/77/137007777.db2.gz KRRMMJONQARUNU-NEPJUHHUSA-N 2 2 260.403 0.495 20 0 CCADLP CS(=O)(=O)[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261549604 137007778 /nfs/dbraw/zinc/00/77/78/137007778.db2.gz KRRMMJONQARUNU-NEPJUHHUSA-N 2 2 260.403 0.495 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)NCc1cccs1 ZINC000261588795 137010833 /nfs/dbraw/zinc/01/08/33/137010833.db2.gz KKOZMLBGNGPBED-VXGBXAGGSA-N 2 2 279.409 0.906 20 0 CCADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)NCc1cccs1 ZINC000261588795 137010834 /nfs/dbraw/zinc/01/08/34/137010834.db2.gz KKOZMLBGNGPBED-VXGBXAGGSA-N 2 2 279.409 0.906 20 0 CCADLP C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@](C)(C[NH3+])C2)C1 ZINC000261593528 137011280 /nfs/dbraw/zinc/01/12/80/137011280.db2.gz ZGGQGMVYTZFKPL-JSGCOSHPSA-N 2 2 253.390 0.916 20 0 CCADLP C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@](C)(C[NH3+])C2)C1 ZINC000261593528 137011281 /nfs/dbraw/zinc/01/12/81/137011281.db2.gz ZGGQGMVYTZFKPL-JSGCOSHPSA-N 2 2 253.390 0.916 20 0 CCADLP CC(C)Cc1noc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)n1 ZINC000261597069 137011549 /nfs/dbraw/zinc/01/15/49/137011549.db2.gz AMIWHURPINFDLM-CYBMUJFWSA-N 2 2 293.415 0.748 20 0 CCADLP CC(C)Cc1noc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)n1 ZINC000261597069 137011550 /nfs/dbraw/zinc/01/15/50/137011550.db2.gz AMIWHURPINFDLM-CYBMUJFWSA-N 2 2 293.415 0.748 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000261603548 137011881 /nfs/dbraw/zinc/01/18/81/137011881.db2.gz QTLZMTTXDYQFSR-HZSPNIEDSA-N 2 2 265.401 0.929 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000261603548 137011882 /nfs/dbraw/zinc/01/18/82/137011882.db2.gz QTLZMTTXDYQFSR-HZSPNIEDSA-N 2 2 265.401 0.929 20 0 CCADLP c1c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)nc2ncccn12 ZINC000261610966 137012131 /nfs/dbraw/zinc/01/21/31/137012131.db2.gz SKMPROOMGLKQFB-RYUDHWBXSA-N 2 2 257.341 0.771 20 0 CCADLP c1c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)nc2ncccn12 ZINC000261610966 137012132 /nfs/dbraw/zinc/01/21/32/137012132.db2.gz SKMPROOMGLKQFB-RYUDHWBXSA-N 2 2 257.341 0.771 20 0 CCADLP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261630876 137013185 /nfs/dbraw/zinc/01/31/85/137013185.db2.gz BGSANCWEQMOSJM-BFHYXJOUSA-N 2 2 282.432 0.269 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000618189837 365921358 /nfs/dbraw/zinc/92/13/58/365921358.db2.gz YJTSMDJVYPFTTG-NSHDSACASA-N 2 2 262.357 0.535 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000618189837 365921360 /nfs/dbraw/zinc/92/13/60/365921360.db2.gz YJTSMDJVYPFTTG-NSHDSACASA-N 2 2 262.357 0.535 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000618190272 365921476 /nfs/dbraw/zinc/92/14/76/365921476.db2.gz MDUJAHSJAFYCAN-GFCCVEGCSA-N 2 2 262.357 0.466 20 0 CCADLP COC[C@H]([NH3+])C(=O)NCc1[nH+]ccn1CC(C)C ZINC000262350068 137039632 /nfs/dbraw/zinc/03/96/32/137039632.db2.gz UIFMJJUVQFWAMR-JTQLQIEISA-N 2 2 254.334 0.129 20 0 CCADLP O=C(C[C@H]1COCC[NH2+]1)NCc1cn2c([nH+]1)CCCC2 ZINC000262481878 137044400 /nfs/dbraw/zinc/04/44/00/137044400.db2.gz ZQEIXYPRVHHCDO-NSHDSACASA-N 2 2 278.356 0.214 20 0 CCADLP O=C1c2ccccc2C(=O)N1CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000262518186 137045870 /nfs/dbraw/zinc/04/58/70/137045870.db2.gz NUBBODYEPHTAJM-WFASDCNBSA-N 2 2 299.374 0.966 20 0 CCADLP O=C1c2ccccc2C(=O)N1CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000262518186 137045871 /nfs/dbraw/zinc/04/58/71/137045871.db2.gz NUBBODYEPHTAJM-WFASDCNBSA-N 2 2 299.374 0.966 20 0 CCADLP Cc1ccc([C@H]([NH3+])C(=O)NC[C@H](C)[NH+]2CCOCC2)cc1 ZINC000262665080 137049787 /nfs/dbraw/zinc/04/97/87/137049787.db2.gz PEDUDSJTIICQPG-ZFWWWQNUSA-N 2 2 291.395 0.832 20 0 CCADLP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263051016 137057506 /nfs/dbraw/zinc/05/75/06/137057506.db2.gz UNKOGZHKDSFAIS-VIFPVBQESA-N 2 2 263.332 0.688 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])[NH+]1CCN(C)CC1 ZINC000263084645 137057847 /nfs/dbraw/zinc/05/78/47/137057847.db2.gz XVQMSILCQOHBTP-IJEWVQPXSA-N 2 2 296.459 0.646 20 0 CCADLP C[C@H](C(=O)NC1CCCC1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261704213 137016222 /nfs/dbraw/zinc/01/62/22/137016222.db2.gz OOQGXQZBBFUMFW-UKRRQHHQSA-N 2 2 294.443 0.413 20 0 CCADLP O=c1n2ccccc2nn1CC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261800912 137020417 /nfs/dbraw/zinc/02/04/17/137020417.db2.gz YREZFDNQDVLTGS-QWHCGFSZSA-N 2 2 287.367 0.037 20 0 CCADLP O=c1n2ccccc2nn1CC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261800912 137020418 /nfs/dbraw/zinc/02/04/18/137020418.db2.gz YREZFDNQDVLTGS-QWHCGFSZSA-N 2 2 287.367 0.037 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)C1([NH3+])CCOCC1 ZINC000261903653 137025228 /nfs/dbraw/zinc/02/52/28/137025228.db2.gz RWDGDERIYIXNOF-UHFFFAOYSA-N 2 2 278.356 0.272 20 0 CCADLP COC[C@@H]([NH3+])C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000262316917 137037428 /nfs/dbraw/zinc/03/74/28/137037428.db2.gz PWHHZXZCPAHQLN-GFCCVEGCSA-N 2 2 294.355 0.099 20 0 CCADLP COC(=O)C1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000311447201 137074661 /nfs/dbraw/zinc/07/46/61/137074661.db2.gz REAMKCUBYQGCNW-CYBMUJFWSA-N 2 2 270.373 0.327 20 0 CCADLP C[C@@H](NC(=O)C[N@H+](C)C[C@H](O)C[NH3+])c1ccccc1Cl ZINC000313611384 137078330 /nfs/dbraw/zinc/07/83/30/137078330.db2.gz XHULNJFISDWWQU-GHMZBOCLSA-N 2 2 299.802 0.769 20 0 CCADLP C[C@@H](NC(=O)C[N@@H+](C)C[C@H](O)C[NH3+])c1ccccc1Cl ZINC000313611384 137078331 /nfs/dbraw/zinc/07/83/31/137078331.db2.gz XHULNJFISDWWQU-GHMZBOCLSA-N 2 2 299.802 0.769 20 0 CCADLP COCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CC(=O)N(C)C)C1 ZINC000328331999 137080048 /nfs/dbraw/zinc/08/00/48/137080048.db2.gz HYDVEBYMFOLCHI-NWDGAFQWSA-N 2 2 257.378 0.164 20 0 CCADLP COCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CC(=O)N(C)C)C1 ZINC000328331999 137080049 /nfs/dbraw/zinc/08/00/49/137080049.db2.gz HYDVEBYMFOLCHI-NWDGAFQWSA-N 2 2 257.378 0.164 20 0 CCADLP [NH3+]CC[N@H+](CCO)CCC(=O)N1CCc2ccccc21 ZINC000342400639 137091270 /nfs/dbraw/zinc/09/12/70/137091270.db2.gz LKZGKKXSFRCVSM-UHFFFAOYSA-N 2 2 277.368 0.219 20 0 CCADLP [NH3+]CC[N@@H+](CCO)CCC(=O)N1CCc2ccccc21 ZINC000342400639 137091271 /nfs/dbraw/zinc/09/12/71/137091271.db2.gz LKZGKKXSFRCVSM-UHFFFAOYSA-N 2 2 277.368 0.219 20 0 CCADLP CC[C@H](O)C[NH+]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000342478167 137096441 /nfs/dbraw/zinc/09/64/41/137096441.db2.gz IUIAPDLKUBWGEZ-HRCADAONSA-N 2 2 297.443 0.238 20 0 CCADLP CC[C@H](O)C[NH+]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000342478167 137096442 /nfs/dbraw/zinc/09/64/42/137096442.db2.gz IUIAPDLKUBWGEZ-HRCADAONSA-N 2 2 297.443 0.238 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)C[C@@H]1[NH+]1CCOCC1 ZINC000343500520 137139341 /nfs/dbraw/zinc/13/93/41/137139341.db2.gz FBZBKJQZBRIKMN-TUVASFSCSA-N 2 2 295.427 0.554 20 0 CCADLP Cc1nnc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)o1 ZINC000344073649 137175822 /nfs/dbraw/zinc/17/58/22/137175822.db2.gz TWIABQVMOQMLOQ-UHFFFAOYSA-N 2 2 269.393 0.693 20 0 CCADLP Cc1nnc(C[N@H+](C)CCCN(C)CC[NH+](C)C)o1 ZINC000344073649 137175823 /nfs/dbraw/zinc/17/58/23/137175823.db2.gz TWIABQVMOQMLOQ-UHFFFAOYSA-N 2 2 269.393 0.693 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000343354692 137130927 /nfs/dbraw/zinc/13/09/27/137130927.db2.gz VLAHHIMQCHOGGI-LSDHHAIUSA-N 2 2 295.427 0.840 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000343354692 137130928 /nfs/dbraw/zinc/13/09/28/137130928.db2.gz VLAHHIMQCHOGGI-LSDHHAIUSA-N 2 2 295.427 0.840 20 0 CCADLP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000343354692 137130929 /nfs/dbraw/zinc/13/09/29/137130929.db2.gz VLAHHIMQCHOGGI-LSDHHAIUSA-N 2 2 295.427 0.840 20 0 CCADLP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000343354692 137130930 /nfs/dbraw/zinc/13/09/30/137130930.db2.gz VLAHHIMQCHOGGI-LSDHHAIUSA-N 2 2 295.427 0.840 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC000344217265 137184303 /nfs/dbraw/zinc/18/43/03/137184303.db2.gz QYDLHKTXSPGBQC-UKRRQHHQSA-N 3 2 269.433 0.621 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC2CC[NH+](CCO)CC2)C1 ZINC000344217265 137184304 /nfs/dbraw/zinc/18/43/04/137184304.db2.gz QYDLHKTXSPGBQC-UKRRQHHQSA-N 3 2 269.433 0.621 20 0 CCADLP Cc1ccc(NCCCNC(=O)[C@@H]2[NH2+]CCO[C@@H]2C)[nH+]c1 ZINC000344453883 137194978 /nfs/dbraw/zinc/19/49/78/137194978.db2.gz ZZMZVODHNKAIGL-TZMCWYRMSA-N 2 2 292.383 0.107 20 0 CCADLP CO[C@H]1C[C@@H](CN(C)Cc2[nH+]cc(C)n2C)[N@H+](C)C1 ZINC000344479359 137196745 /nfs/dbraw/zinc/19/67/45/137196745.db2.gz MIPLKJPQLNOBDX-STQMWFEESA-N 2 2 266.389 0.879 20 0 CCADLP CO[C@H]1C[C@@H](CN(C)Cc2[nH+]cc(C)n2C)[N@@H+](C)C1 ZINC000344479359 137196746 /nfs/dbraw/zinc/19/67/46/137196746.db2.gz MIPLKJPQLNOBDX-STQMWFEESA-N 2 2 266.389 0.879 20 0 CCADLP O=C([C@H]1CCCC[NH2+]1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000013479560 348026326 /nfs/dbraw/zinc/02/63/26/348026326.db2.gz GUHWAALAWWMKDC-OAHLLOKOSA-N 2 2 288.395 0.868 20 0 CCADLP CC[N@@H+]1CC[C@H]2OCCN(Cc3c[nH+]cn3C)[C@H]2C1 ZINC000339387951 215138786 /nfs/dbraw/zinc/13/87/86/215138786.db2.gz RVDWFZLBAHUTKV-UONOGXRCSA-N 2 2 264.373 0.715 20 0 CCADLP CC[N@H+]1CC[C@H]2OCCN(Cc3c[nH+]cn3C)[C@H]2C1 ZINC000339387951 215138788 /nfs/dbraw/zinc/13/87/88/215138788.db2.gz RVDWFZLBAHUTKV-UONOGXRCSA-N 2 2 264.373 0.715 20 0 CCADLP CC[N@@H+]1CC[C@@H]2OCCN(CC[NH+]3CCO[C@H](C)C3)[C@H]2C1 ZINC000339389785 215139697 /nfs/dbraw/zinc/13/96/97/215139697.db2.gz ASASBGYPJRHLKC-PMPSAXMXSA-N 2 2 297.443 0.502 20 0 CCADLP CC[N@H+]1CC[C@@H]2OCCN(CC[NH+]3CCO[C@H](C)C3)[C@H]2C1 ZINC000339389785 215139702 /nfs/dbraw/zinc/13/97/02/215139702.db2.gz ASASBGYPJRHLKC-PMPSAXMXSA-N 2 2 297.443 0.502 20 0 CCADLP CC[NH+]1CC[C@@H]2OCCN(CC[N@@H+]3CCO[C@H](C)C3)[C@H]2C1 ZINC000339389785 215139705 /nfs/dbraw/zinc/13/97/05/215139705.db2.gz ASASBGYPJRHLKC-PMPSAXMXSA-N 2 2 297.443 0.502 20 0 CCADLP CC[NH+]1CC[C@@H]2OCCN(CC[N@H+]3CCO[C@H](C)C3)[C@H]2C1 ZINC000339389785 215139708 /nfs/dbraw/zinc/13/97/08/215139708.db2.gz ASASBGYPJRHLKC-PMPSAXMXSA-N 2 2 297.443 0.502 20 0 CCADLP CCOC1CC([NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)C1 ZINC000344833101 137215976 /nfs/dbraw/zinc/21/59/76/137215976.db2.gz PXUPAZIXERTQMA-WKQXJPDBSA-N 2 2 292.383 0.897 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000037008700 348178812 /nfs/dbraw/zinc/17/88/12/348178812.db2.gz VZQPNFCSORWBFP-TZMCWYRMSA-N 2 2 277.368 0.523 20 0 CCADLP CCC(CC)NC(=O)[C@H](C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000314132376 535070951 /nfs/dbraw/zinc/07/09/51/535070951.db2.gz LXJIGAQUWRNWFU-DZGCQCFKSA-N 2 2 296.459 0.659 20 0 CCADLP C[C@H]([NH3+])C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000037802001 348206416 /nfs/dbraw/zinc/20/64/16/348206416.db2.gz RDTJVLJDKRBOLY-JTQLQIEISA-N 2 2 253.371 0.740 20 0 CCADLP CC[C@@]1(C(=O)N[C@H](C)C[NH+]2CCOCC2)CCC[NH2+]1 ZINC000128806045 187391084 /nfs/dbraw/zinc/39/10/84/187391084.db2.gz LZSILAAZTBLHBM-OCCSQVGLSA-N 2 2 269.389 0.356 20 0 CCADLP C[C@@H]([NH2+]CC[NH3+])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000044493944 348321119 /nfs/dbraw/zinc/32/11/19/348321119.db2.gz RDFSRNDWYRISOZ-SNVBAGLBSA-N 2 2 271.386 0.546 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000346479144 137288772 /nfs/dbraw/zinc/28/87/72/137288772.db2.gz GBEKIYXVFVRGGM-ZDUSSCGKSA-N 2 2 292.383 0.441 20 0 CCADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000044529367 348321862 /nfs/dbraw/zinc/32/18/62/348321862.db2.gz JPRFPKWZCVOVMX-LLVKDONJSA-N 2 2 282.388 0.426 20 0 CCADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000044529367 348321865 /nfs/dbraw/zinc/32/18/65/348321865.db2.gz JPRFPKWZCVOVMX-LLVKDONJSA-N 2 2 282.388 0.426 20 0 CCADLP CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346984100 137314078 /nfs/dbraw/zinc/31/40/78/137314078.db2.gz OGQVMMWHHZGGDO-QWHCGFSZSA-N 2 2 289.445 0.388 20 0 CCADLP CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000346984100 137314079 /nfs/dbraw/zinc/31/40/79/137314079.db2.gz OGQVMMWHHZGGDO-QWHCGFSZSA-N 2 2 289.445 0.388 20 0 CCADLP CC(C)c1nc(NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc[nH+]1 ZINC000347121601 137321003 /nfs/dbraw/zinc/32/10/03/137321003.db2.gz GXSPYYZZKBZPFD-LBPRGKRZSA-N 2 2 291.399 0.774 20 0 CCADLP CC(C)c1nc(NCCC[N@H+]2CCC[C@H]2C(N)=O)cc[nH+]1 ZINC000347121601 137321004 /nfs/dbraw/zinc/32/10/04/137321004.db2.gz GXSPYYZZKBZPFD-LBPRGKRZSA-N 2 2 291.399 0.774 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2c[nH]c(C(=O)OC)c2)C1 ZINC000347210027 137325333 /nfs/dbraw/zinc/32/53/33/137325333.db2.gz OMROFLVZHGIPHY-JTQLQIEISA-N 2 2 251.330 0.843 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2c[nH]c(C(=O)OC)c2)C1 ZINC000347210027 137325334 /nfs/dbraw/zinc/32/53/34/137325334.db2.gz OMROFLVZHGIPHY-JTQLQIEISA-N 2 2 251.330 0.843 20 0 CCADLP C[C@H](Cn1cccn1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000347357535 137332845 /nfs/dbraw/zinc/33/28/45/137332845.db2.gz MKDZPGDMYYCPJI-OLZOCXBDSA-N 2 2 279.388 0.201 20 0 CCADLP C[C@H](Cn1cccn1)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000347357535 137332846 /nfs/dbraw/zinc/33/28/46/137332846.db2.gz MKDZPGDMYYCPJI-OLZOCXBDSA-N 2 2 279.388 0.201 20 0 CCADLP O=C(CCOC1C[NH2+]C1)NCCCCNc1cccc[nH+]1 ZINC000349028048 137384497 /nfs/dbraw/zinc/38/44/97/137384497.db2.gz OERKGCCMKAXFCW-UHFFFAOYSA-N 2 2 292.383 0.768 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)[C@H]2CCC[NH+]2C)CCO1 ZINC000347661783 137348526 /nfs/dbraw/zinc/34/85/26/137348526.db2.gz KENPCCACGSLPCG-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CCC[NH+]2C)CCO1 ZINC000347661783 137348527 /nfs/dbraw/zinc/34/85/27/137348527.db2.gz KENPCCACGSLPCG-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP CC[C@@H]1C[NH+](CCNC(=O)[C@H]2CCC[N@@H+]2C)CCO1 ZINC000347661783 137348528 /nfs/dbraw/zinc/34/85/28/137348528.db2.gz KENPCCACGSLPCG-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP CC[C@@H]1C[NH+](CCNC(=O)[C@H]2CCC[N@H+]2C)CCO1 ZINC000347661783 137348529 /nfs/dbraw/zinc/34/85/29/137348529.db2.gz KENPCCACGSLPCG-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP CCOC[C@@H](O)C[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000347739262 137353767 /nfs/dbraw/zinc/35/37/67/137353767.db2.gz MOPIQYKZYGGUFM-AWEZNQCLSA-N 2 2 279.384 0.909 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCN1CCOCC1(C)C ZINC000347755673 137354925 /nfs/dbraw/zinc/35/49/25/137354925.db2.gz SUTFZXFKHAJMOP-STQMWFEESA-N 2 2 255.406 0.637 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCN1CCOCC1(C)C ZINC000347755673 137354926 /nfs/dbraw/zinc/35/49/26/137354926.db2.gz SUTFZXFKHAJMOP-STQMWFEESA-N 2 2 255.406 0.637 20 0 CCADLP O=C(CCOC1C[NH2+]C1)NCc1ccn2cc[nH+]c2c1 ZINC000348987839 137382691 /nfs/dbraw/zinc/38/26/91/137382691.db2.gz GQOKAQPEONUFQX-UHFFFAOYSA-N 2 2 274.324 0.329 20 0 CCADLP C[NH2+][C@@H](C)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000054076445 348540932 /nfs/dbraw/zinc/54/09/32/348540932.db2.gz XAVHBDKDLOMSRV-NSHDSACASA-N 2 2 278.356 0.142 20 0 CCADLP CC[N@@H+]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC000684467114 545676511 /nfs/dbraw/zinc/67/65/11/545676511.db2.gz YUTHYIQTZBOYCQ-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP CC[N@H+]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC000684467114 545676515 /nfs/dbraw/zinc/67/65/15/545676515.db2.gz YUTHYIQTZBOYCQ-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP CCCOCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000068542490 348815412 /nfs/dbraw/zinc/81/54/12/348815412.db2.gz MDJNKJYGQPNXEE-UHFFFAOYSA-N 2 2 285.432 0.897 20 0 CCADLP CCCOCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000068542490 348815416 /nfs/dbraw/zinc/81/54/16/348815416.db2.gz MDJNKJYGQPNXEE-UHFFFAOYSA-N 2 2 285.432 0.897 20 0 CCADLP Cc1nn(C)c(C)c1C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000068800883 348821819 /nfs/dbraw/zinc/82/18/19/348821819.db2.gz YBQLDTIRPRKPLK-CYBMUJFWSA-N 2 2 265.405 0.372 20 0 CCADLP Cc1nn(C)c(C)c1C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000068800883 348821825 /nfs/dbraw/zinc/82/18/25/348821825.db2.gz YBQLDTIRPRKPLK-CYBMUJFWSA-N 2 2 265.405 0.372 20 0 CCADLP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCS(=O)(=O)C2)C1 ZINC000069136863 348832943 /nfs/dbraw/zinc/83/29/43/348832943.db2.gz ZTDMZOUKMKHWMI-NWDGAFQWSA-N 2 2 260.403 0.495 20 0 CCADLP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCS(=O)(=O)C2)C1 ZINC000069136863 348832944 /nfs/dbraw/zinc/83/29/44/348832944.db2.gz ZTDMZOUKMKHWMI-NWDGAFQWSA-N 2 2 260.403 0.495 20 0 CCADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC000070149675 348873716 /nfs/dbraw/zinc/87/37/16/348873716.db2.gz DPJFCFSEXMCVAT-NSHDSACASA-N 2 2 268.361 0.178 20 0 CCADLP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC000070149675 348873717 /nfs/dbraw/zinc/87/37/17/348873717.db2.gz DPJFCFSEXMCVAT-NSHDSACASA-N 2 2 268.361 0.178 20 0 CCADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000072860868 348936805 /nfs/dbraw/zinc/93/68/05/348936805.db2.gz BLZQWVMNUMENDF-QLFBSQMISA-N 2 2 297.443 0.896 20 0 CCADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000072860868 348936808 /nfs/dbraw/zinc/93/68/08/348936808.db2.gz BLZQWVMNUMENDF-QLFBSQMISA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000072860868 348936811 /nfs/dbraw/zinc/93/68/11/348936811.db2.gz BLZQWVMNUMENDF-QLFBSQMISA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000072860868 348936813 /nfs/dbraw/zinc/93/68/13/348936813.db2.gz BLZQWVMNUMENDF-QLFBSQMISA-N 2 2 297.443 0.896 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000078524044 349142142 /nfs/dbraw/zinc/14/21/42/349142142.db2.gz VJUDLZZODFJISX-GFCCVEGCSA-N 2 2 250.346 0.678 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)Cc2cnn(C)c2)CC1 ZINC000078910150 349159482 /nfs/dbraw/zinc/15/94/82/349159482.db2.gz FIBFGECUXMCAFW-ZDUSSCGKSA-N 2 2 293.415 0.405 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2cnn(C)c2)CC1 ZINC000078910150 349159484 /nfs/dbraw/zinc/15/94/84/349159484.db2.gz FIBFGECUXMCAFW-ZDUSSCGKSA-N 2 2 293.415 0.405 20 0 CCADLP C[N@@H+]1CCC[C@H](NC(=O)NCCCn2cc[nH+]c2)C1 ZINC000080322450 349208936 /nfs/dbraw/zinc/20/89/36/349208936.db2.gz OQHAYKWHWULJCX-LBPRGKRZSA-N 2 2 265.361 0.667 20 0 CCADLP C[N@H+]1CCC[C@H](NC(=O)NCCCn2cc[nH+]c2)C1 ZINC000080322450 349208940 /nfs/dbraw/zinc/20/89/40/349208940.db2.gz OQHAYKWHWULJCX-LBPRGKRZSA-N 2 2 265.361 0.667 20 0 CCADLP CC(C)C[C@@H](C[NH+](C)C)NC(=O)Cn1cc[nH+]c1 ZINC000081292777 349255763 /nfs/dbraw/zinc/25/57/63/349255763.db2.gz XGTYDXZSCJZBRT-LBPRGKRZSA-N 2 2 252.362 0.976 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081632499 349278632 /nfs/dbraw/zinc/27/86/32/349278632.db2.gz PJMRMMLHUVYJKD-ZYHUDNBSSA-N 2 2 282.388 0.234 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081632499 349278634 /nfs/dbraw/zinc/27/86/34/349278634.db2.gz PJMRMMLHUVYJKD-ZYHUDNBSSA-N 2 2 282.388 0.234 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081632499 349278637 /nfs/dbraw/zinc/27/86/37/349278637.db2.gz PJMRMMLHUVYJKD-ZYHUDNBSSA-N 2 2 282.388 0.234 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081632499 349278639 /nfs/dbraw/zinc/27/86/39/349278639.db2.gz PJMRMMLHUVYJKD-ZYHUDNBSSA-N 2 2 282.388 0.234 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1COCC[NH2+]1 ZINC000088358738 349361787 /nfs/dbraw/zinc/36/17/87/349361787.db2.gz RSPQGHYQSFFJGV-CABCVRRESA-N 2 2 289.379 0.366 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1COCC[NH2+]1 ZINC000088358738 349361790 /nfs/dbraw/zinc/36/17/90/349361790.db2.gz RSPQGHYQSFFJGV-CABCVRRESA-N 2 2 289.379 0.366 20 0 CCADLP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000089106567 349375146 /nfs/dbraw/zinc/37/51/46/349375146.db2.gz PITIXJCADXNBJY-NWDGAFQWSA-N 2 2 250.346 0.907 20 0 CCADLP C[N@@H+]1CCN(C(=O)C[C@@H]2CCCCO2)[C@H](C[NH3+])C1 ZINC000120775578 350005234 /nfs/dbraw/zinc/00/52/34/350005234.db2.gz SEUPTSHLIZIJJZ-NEPJUHHUSA-N 2 2 255.362 0.047 20 0 CCADLP C[N@H+]1CCN(C(=O)C[C@@H]2CCCCO2)[C@H](C[NH3+])C1 ZINC000120775578 350005237 /nfs/dbraw/zinc/00/52/37/350005237.db2.gz SEUPTSHLIZIJJZ-NEPJUHHUSA-N 2 2 255.362 0.047 20 0 CCADLP C[N@H+](CCC[NH3+])CC(=O)NC(=O)NC1CCCCC1 ZINC000123335797 350074421 /nfs/dbraw/zinc/07/44/21/350074421.db2.gz SHKVWCZCSHGLTF-UHFFFAOYSA-N 2 2 270.377 0.426 20 0 CCADLP C[N@@H+](CCC[NH3+])CC(=O)NC(=O)NC1CCCCC1 ZINC000123335797 350074423 /nfs/dbraw/zinc/07/44/23/350074423.db2.gz SHKVWCZCSHGLTF-UHFFFAOYSA-N 2 2 270.377 0.426 20 0 CCADLP CC[C@@H](C(=O)N[C@H](C)C[NH+]1CCOCC1)[NH+](C)C ZINC000124810219 350108334 /nfs/dbraw/zinc/10/83/34/350108334.db2.gz NRSVRKDIGNQKHO-NEPJUHHUSA-N 2 2 257.378 0.164 20 0 CCADLP C[N@@H+]1CCN(C(=O)COc2cccc(Cl)c2)[C@H](C[NH3+])C1 ZINC000124304710 350094684 /nfs/dbraw/zinc/09/46/84/350094684.db2.gz VMRZEPHEKQKQHN-GFCCVEGCSA-N 2 2 297.786 0.820 20 0 CCADLP C[N@H+]1CCN(C(=O)COc2cccc(Cl)c2)[C@H](C[NH3+])C1 ZINC000124304710 350094685 /nfs/dbraw/zinc/09/46/85/350094685.db2.gz VMRZEPHEKQKQHN-GFCCVEGCSA-N 2 2 297.786 0.820 20 0 CCADLP COc1cccc(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000124316046 350095030 /nfs/dbraw/zinc/09/50/30/350095030.db2.gz SHFUTAOOQPQLDJ-CYBMUJFWSA-N 2 2 277.368 0.339 20 0 CCADLP COc1cccc(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000124316046 350095035 /nfs/dbraw/zinc/09/50/35/350095035.db2.gz SHFUTAOOQPQLDJ-CYBMUJFWSA-N 2 2 277.368 0.339 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccon3)CC2)CC1 ZINC000124353564 350096404 /nfs/dbraw/zinc/09/64/04/350096404.db2.gz MGXTVVHRPSQVCB-UHFFFAOYSA-N 2 2 292.383 0.963 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)c1csc(CC[NH3+])n1 ZINC000090947634 180071196 /nfs/dbraw/zinc/07/11/96/180071196.db2.gz WRYOVFJYAHVFKT-SECBINFHSA-N 2 2 279.369 0.659 20 0 CCADLP C[NH2+]CCC[N@H+](C)CC(=O)NC(=O)NC1CCCCC1 ZINC000127245386 350164308 /nfs/dbraw/zinc/16/43/08/350164308.db2.gz YVQCMUBGJAAXDU-UHFFFAOYSA-N 2 2 284.404 0.686 20 0 CCADLP C[NH2+]CCC[N@@H+](C)CC(=O)NC(=O)NC1CCCCC1 ZINC000127245386 350164311 /nfs/dbraw/zinc/16/43/11/350164311.db2.gz YVQCMUBGJAAXDU-UHFFFAOYSA-N 2 2 284.404 0.686 20 0 CCADLP CC(C)C(=O)NCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000128366940 350191885 /nfs/dbraw/zinc/19/18/85/350191885.db2.gz FQDMJYZVYJQEGE-NWDGAFQWSA-N 2 2 253.390 0.973 20 0 CCADLP CC(C)C(=O)NCC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000128366940 350191889 /nfs/dbraw/zinc/19/18/89/350191889.db2.gz FQDMJYZVYJQEGE-NWDGAFQWSA-N 2 2 253.390 0.973 20 0 CCADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NC(=O)NC1CCCC1 ZINC000129065373 350204518 /nfs/dbraw/zinc/20/45/18/350204518.db2.gz VUWBRHXZOKBUAB-WDEREUQCSA-N 2 2 282.388 0.566 20 0 CCADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NC(=O)NC1CCCC1 ZINC000129065373 350204520 /nfs/dbraw/zinc/20/45/20/350204520.db2.gz VUWBRHXZOKBUAB-WDEREUQCSA-N 2 2 282.388 0.566 20 0 CCADLP CN(C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)C1CC1 ZINC000129248874 350209499 /nfs/dbraw/zinc/20/94/99/350209499.db2.gz UXUHKAOLDALNSV-ZDUSSCGKSA-N 2 2 281.400 0.261 20 0 CCADLP CN(C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)C1CC1 ZINC000129248874 350209503 /nfs/dbraw/zinc/20/95/03/350209503.db2.gz UXUHKAOLDALNSV-ZDUSSCGKSA-N 2 2 281.400 0.261 20 0 CCADLP CC[C@@H](C(N)=O)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000104949822 186035046 /nfs/dbraw/zinc/03/50/46/186035046.db2.gz ONVPKSLCFGPIIY-ZNMIVQPWSA-N 2 2 296.459 0.741 20 0 CCADLP CC[C@@H](C(N)=O)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000104949822 186035047 /nfs/dbraw/zinc/03/50/47/186035047.db2.gz ONVPKSLCFGPIIY-ZNMIVQPWSA-N 2 2 296.459 0.741 20 0 CCADLP CC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000130461942 350238305 /nfs/dbraw/zinc/23/83/05/350238305.db2.gz UILJSEWSDKHUSU-QWHCGFSZSA-N 2 2 269.389 0.437 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)on1 ZINC000131625510 350281196 /nfs/dbraw/zinc/28/11/96/350281196.db2.gz BLLHXBFQPFHWON-VHSXEESVSA-N 2 2 252.318 0.591 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)on1 ZINC000131625510 350281200 /nfs/dbraw/zinc/28/12/00/350281200.db2.gz BLLHXBFQPFHWON-VHSXEESVSA-N 2 2 252.318 0.591 20 0 CCADLP COc1c(N)[nH+]cnc1NCC[NH+]1CCCCC1 ZINC000134853800 350378177 /nfs/dbraw/zinc/37/81/77/350378177.db2.gz FIICKXMTDXBGIH-UHFFFAOYSA-N 2 2 251.334 0.965 20 0 CCADLP Cc1ccc2nc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc(=O)n2c1 ZINC000107855233 186195197 /nfs/dbraw/zinc/19/51/97/186195197.db2.gz LNDGNEJLERCLSU-BETUJISGSA-N 2 2 284.363 0.654 20 0 CCADLP Cc1ccc2nc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc(=O)n2c1 ZINC000107855233 186195199 /nfs/dbraw/zinc/19/51/99/186195199.db2.gz LNDGNEJLERCLSU-BETUJISGSA-N 2 2 284.363 0.654 20 0 CCADLP Cc1cccn2cc(Cn3cc(CC[NH3+])nn3)[nH+]c12 ZINC000158193670 350655420 /nfs/dbraw/zinc/65/54/20/350655420.db2.gz GUTWJSDAJHMQDW-UHFFFAOYSA-N 2 2 256.313 0.784 20 0 CCADLP CCn1cc[nH+]c1CN1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000161193043 350715074 /nfs/dbraw/zinc/71/50/74/350715074.db2.gz AGJWLBGHTNIXFB-VXGBXAGGSA-N 2 2 252.362 0.841 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000163182410 350761677 /nfs/dbraw/zinc/76/16/77/350761677.db2.gz YMIRGVZKVDJMFA-NXEZZACHSA-N 2 2 278.381 0.925 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000163182410 350761682 /nfs/dbraw/zinc/76/16/82/350761682.db2.gz YMIRGVZKVDJMFA-NXEZZACHSA-N 2 2 278.381 0.925 20 0 CCADLP Cn1nc2c(cc1=O)C[N@@H+](CC[C@H]1CCC[NH+]1C)CC2 ZINC000163224217 350762222 /nfs/dbraw/zinc/76/22/22/350762222.db2.gz GXHQGDYQWPSZTB-CYBMUJFWSA-N 2 2 276.384 0.623 20 0 CCADLP Cn1nc2c(cc1=O)C[N@H+](CC[C@H]1CCC[NH+]1C)CC2 ZINC000163224217 350762226 /nfs/dbraw/zinc/76/22/26/350762226.db2.gz GXHQGDYQWPSZTB-CYBMUJFWSA-N 2 2 276.384 0.623 20 0 CCADLP Cn1nc2c(cc1=O)C[NH+](CC[C@H]1CCC[N@@H+]1C)CC2 ZINC000163224217 350762228 /nfs/dbraw/zinc/76/22/28/350762228.db2.gz GXHQGDYQWPSZTB-CYBMUJFWSA-N 2 2 276.384 0.623 20 0 CCADLP Cn1nc2c(cc1=O)C[NH+](CC[C@H]1CCC[N@H+]1C)CC2 ZINC000163224217 350762232 /nfs/dbraw/zinc/76/22/32/350762232.db2.gz GXHQGDYQWPSZTB-CYBMUJFWSA-N 2 2 276.384 0.623 20 0 CCADLP CSCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000167686292 350814043 /nfs/dbraw/zinc/81/40/43/350814043.db2.gz DOVACTUHMMDUPM-SRVKXCTJSA-N 2 2 289.445 0.292 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CCCC2)C[C@@H]1C[NH3+] ZINC000163895335 350774352 /nfs/dbraw/zinc/77/43/52/350774352.db2.gz FNTGHDWEYQRLBU-RYUDHWBXSA-N 2 2 296.415 0.672 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CCCC2)C[C@@H]1C[NH3+] ZINC000163895335 350774355 /nfs/dbraw/zinc/77/43/55/350774355.db2.gz FNTGHDWEYQRLBU-RYUDHWBXSA-N 2 2 296.415 0.672 20 0 CCADLP C[C@@H]([NH3+])C(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000163949918 350775279 /nfs/dbraw/zinc/77/52/79/350775279.db2.gz ZFSNOFHKYQASPE-GFCCVEGCSA-N 2 2 287.367 0.326 20 0 CCADLP O=C(Nc1ccc(-n2cc[nH+]c2)nc1)[C@]1(F)CC[NH2+]C1 ZINC000164692328 350782331 /nfs/dbraw/zinc/78/23/31/350782331.db2.gz HXMLUTBOOGYOJA-ZDUSSCGKSA-N 2 2 275.287 0.907 20 0 CCADLP O=C(NCCCNc1cccc[nH+]1)[C@@H]1CSC[NH2+]1 ZINC000165243368 350788531 /nfs/dbraw/zinc/78/85/31/350788531.db2.gz VUFFZTVZQYBAMS-JTQLQIEISA-N 2 2 266.370 0.662 20 0 CCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000165520459 350791015 /nfs/dbraw/zinc/79/10/15/350791015.db2.gz DLEMYDVGMGPEGJ-KOLCDFICSA-N 2 2 268.386 0.606 20 0 CCADLP C[NH+](C)[C@H]1CCN(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000170861549 350868678 /nfs/dbraw/zinc/86/86/78/350868678.db2.gz LRKACCWDAXWANQ-LBPRGKRZSA-N 2 2 265.361 0.619 20 0 CCADLP CCC[N@H+](CC)CCNC(=O)NCCn1cc[nH+]c1 ZINC000175186502 351121701 /nfs/dbraw/zinc/12/17/01/351121701.db2.gz VKKCKFTYJXMKRO-UHFFFAOYSA-N 2 2 267.377 0.914 20 0 CCADLP CCC[N@@H+](CC)CCNC(=O)NCCn1cc[nH+]c1 ZINC000175186502 351121706 /nfs/dbraw/zinc/12/17/06/351121706.db2.gz VKKCKFTYJXMKRO-UHFFFAOYSA-N 2 2 267.377 0.914 20 0 CCADLP COCCCNC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000177058622 351191928 /nfs/dbraw/zinc/19/19/28/351191928.db2.gz DRNHYLWZWCWJFK-OLZOCXBDSA-N 2 2 271.405 0.554 20 0 CCADLP COCCCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000177058622 351191931 /nfs/dbraw/zinc/19/19/31/351191931.db2.gz DRNHYLWZWCWJFK-OLZOCXBDSA-N 2 2 271.405 0.554 20 0 CCADLP COCCCNC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177058622 351191934 /nfs/dbraw/zinc/19/19/34/351191934.db2.gz DRNHYLWZWCWJFK-OLZOCXBDSA-N 2 2 271.405 0.554 20 0 CCADLP COCCCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000177058622 351191937 /nfs/dbraw/zinc/19/19/37/351191937.db2.gz DRNHYLWZWCWJFK-OLZOCXBDSA-N 2 2 271.405 0.554 20 0 CCADLP CCC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000178763023 351244461 /nfs/dbraw/zinc/24/44/61/351244461.db2.gz YHTGTKKZLFCBOG-LLVKDONJSA-N 2 2 257.378 0.341 20 0 CCADLP CCC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000178763023 351244464 /nfs/dbraw/zinc/24/44/64/351244464.db2.gz YHTGTKKZLFCBOG-LLVKDONJSA-N 2 2 257.378 0.341 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](CCO)CC1)Cc1ccccc1 ZINC000178046481 351217953 /nfs/dbraw/zinc/21/79/53/351217953.db2.gz BEGDAQSYRHMPSV-UHFFFAOYSA-N 2 2 291.395 0.255 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](CCO)CC1)Cc1ccccc1 ZINC000178046481 351217956 /nfs/dbraw/zinc/21/79/56/351217956.db2.gz BEGDAQSYRHMPSV-UHFFFAOYSA-N 2 2 291.395 0.255 20 0 CCADLP CO[C@@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000179229947 351262405 /nfs/dbraw/zinc/26/24/05/351262405.db2.gz CSDLMBDWAXMYSZ-RDGKXADDSA-N 2 2 295.427 0.791 20 0 CCADLP CO[C@@H](C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000179229947 351262408 /nfs/dbraw/zinc/26/24/08/351262408.db2.gz CSDLMBDWAXMYSZ-RDGKXADDSA-N 2 2 295.427 0.791 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)[C@]2(C)CCCC[NH2+]2)C[C@H]1C ZINC000181003255 351297784 /nfs/dbraw/zinc/29/77/84/351297784.db2.gz JHZXOWDTGUZKKJ-HIFRSBDPSA-N 2 2 283.416 0.698 20 0 CCADLP COCC[N@H+]1CCN(C(=O)[C@]2(C)CCCC[NH2+]2)C[C@H]1C ZINC000181003255 351297787 /nfs/dbraw/zinc/29/77/87/351297787.db2.gz JHZXOWDTGUZKKJ-HIFRSBDPSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCOC3(CCC3)C2)CC1 ZINC000179580328 351271985 /nfs/dbraw/zinc/27/19/85/351271985.db2.gz ATKNGWQNCLCESE-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCOC3(CCC3)C2)CC1 ZINC000179580328 351271989 /nfs/dbraw/zinc/27/19/89/351271989.db2.gz ATKNGWQNCLCESE-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP CC(C)Cn1cc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cn1 ZINC000181810847 351338146 /nfs/dbraw/zinc/33/81/46/351338146.db2.gz IRRNDEAMMZCZRF-CQSZACIVSA-N 2 2 268.405 0.941 20 0 CCADLP CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000182218078 351352320 /nfs/dbraw/zinc/35/23/20/351352320.db2.gz ZQWMIPDIHAPVMK-RYUDHWBXSA-N 2 2 271.386 0.829 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000186675975 351507971 /nfs/dbraw/zinc/50/79/71/351507971.db2.gz PDPYOPCAGRHXMA-DGCLKSJQSA-N 2 2 285.351 0.995 20 0 CCADLP O=C(Cc1cn2ccccc2[nH+]1)NCC1=CC[NH2+]CC1 ZINC000186295708 351489945 /nfs/dbraw/zinc/48/99/45/351489945.db2.gz RNSSPQJSWPTXMP-UHFFFAOYSA-N 2 2 270.336 0.913 20 0 CCADLP COCC[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000618560986 366047280 /nfs/dbraw/zinc/04/72/80/366047280.db2.gz BOUVXAFFXCHFBR-ZDUSSCGKSA-N 2 2 284.404 0.054 20 0 CCADLP COCC[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000618560986 366047290 /nfs/dbraw/zinc/04/72/90/366047290.db2.gz BOUVXAFFXCHFBR-ZDUSSCGKSA-N 2 2 284.404 0.054 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000353963142 137553278 /nfs/dbraw/zinc/55/32/78/137553278.db2.gz WLEMANPWPHQSLU-OLZOCXBDSA-N 2 2 270.421 0.079 20 0 CCADLP COCCN1CCC[N@H+](CCn2cc[nH+]c2)CC1=O ZINC000190778625 351734599 /nfs/dbraw/zinc/73/45/99/351734599.db2.gz SHORRAQSBYZFEH-UHFFFAOYSA-N 2 2 266.345 0.064 20 0 CCADLP COCCN1CCC[N@@H+](CCn2cc[nH+]c2)CC1=O ZINC000190778625 351734601 /nfs/dbraw/zinc/73/46/01/351734601.db2.gz SHORRAQSBYZFEH-UHFFFAOYSA-N 2 2 266.345 0.064 20 0 CCADLP CC[NH+](CC)CCC[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000191403919 351756873 /nfs/dbraw/zinc/75/68/73/351756873.db2.gz BGPJBXYDWIWJRM-UHFFFAOYSA-N 2 2 291.461 0.686 20 0 CCADLP CC[NH+](CC)CCC[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000191403919 351756876 /nfs/dbraw/zinc/75/68/76/351756876.db2.gz BGPJBXYDWIWJRM-UHFFFAOYSA-N 2 2 291.461 0.686 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCN1CC[C@H]([NH+]2CCCC2)C1 ZINC000191473115 351759938 /nfs/dbraw/zinc/75/99/38/351759938.db2.gz MWGVVTBGPUBZTR-GJZGRUSLSA-N 2 2 267.417 0.877 20 0 CCADLP C[C@H]1COCC[N@H+]1CCN1CC[C@H]([NH+]2CCCC2)C1 ZINC000191473115 351759943 /nfs/dbraw/zinc/75/99/43/351759943.db2.gz MWGVVTBGPUBZTR-GJZGRUSLSA-N 2 2 267.417 0.877 20 0 CCADLP CCN(C)c1ccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)cn1 ZINC000191471558 351759969 /nfs/dbraw/zinc/75/99/69/351759969.db2.gz GYGMEOQVRPLROG-HNNXBMFYSA-N 2 2 280.416 0.940 20 0 CCADLP C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000655411887 412560836 /nfs/dbraw/zinc/56/08/36/412560836.db2.gz ZCUCXGPCWJRYMV-OLZOCXBDSA-N 2 2 276.384 0.904 20 0 CCADLP C[C@@H](Cn1cccn1)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000122553737 187037974 /nfs/dbraw/zinc/03/79/74/187037974.db2.gz MQDCVUKZHNHSJH-QWHCGFSZSA-N 2 2 251.378 0.107 20 0 CCADLP C[C@@H](Cn1cccn1)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000122553737 187037975 /nfs/dbraw/zinc/03/79/75/187037975.db2.gz MQDCVUKZHNHSJH-QWHCGFSZSA-N 2 2 251.378 0.107 20 0 CCADLP C[C@@H](CNC(=O)c1csc(CC[NH3+])n1)[NH+]1CCOCC1 ZINC000194828369 351887813 /nfs/dbraw/zinc/88/78/13/351887813.db2.gz ZHGPQOWHVHFSMX-JTQLQIEISA-N 2 2 298.412 0.095 20 0 CCADLP Cc1ccc(F)c(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000219687503 351969777 /nfs/dbraw/zinc/96/97/77/351969777.db2.gz IZUGHRRWJKFANJ-UHFFFAOYSA-N 2 2 279.359 0.998 20 0 CCADLP Cc1ccc(F)c(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c1 ZINC000219687503 351969781 /nfs/dbraw/zinc/96/97/81/351969781.db2.gz IZUGHRRWJKFANJ-UHFFFAOYSA-N 2 2 279.359 0.998 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C)C2)C1 ZINC000221291383 351977554 /nfs/dbraw/zinc/97/75/54/351977554.db2.gz YIRAJESFZPLKNM-OLZOCXBDSA-N 2 2 253.390 0.786 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](C)C2)C1 ZINC000221291383 351977556 /nfs/dbraw/zinc/97/75/56/351977556.db2.gz YIRAJESFZPLKNM-OLZOCXBDSA-N 2 2 253.390 0.786 20 0 CCADLP COc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227072609 352037191 /nfs/dbraw/zinc/03/71/91/352037191.db2.gz XVHSYYDDKQFFHL-GXTWGEPZSA-N 2 2 291.395 0.981 20 0 CCADLP COc1ccccc1CNC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227072609 352037192 /nfs/dbraw/zinc/03/71/92/352037192.db2.gz XVHSYYDDKQFFHL-GXTWGEPZSA-N 2 2 291.395 0.981 20 0 CCADLP CCOC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000233770706 352152913 /nfs/dbraw/zinc/15/29/13/352152913.db2.gz QPAOLESNLMPUDS-ZDUSSCGKSA-N 2 2 271.405 0.411 20 0 CCADLP COC[C@@H](C)OC[C@@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC000234752368 352168962 /nfs/dbraw/zinc/16/89/62/352168962.db2.gz DLDCMOBPQZARBE-OCCSQVGLSA-N 2 2 274.405 0.425 20 0 CCADLP C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H](C[NH3+])C1 ZINC000235606239 352184888 /nfs/dbraw/zinc/18/48/88/352184888.db2.gz YOSPKDRPMUANAT-RYUDHWBXSA-N 2 2 250.346 0.859 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000232115642 352140484 /nfs/dbraw/zinc/14/04/84/352140484.db2.gz IMYNCVKQQCNDPH-AWEZNQCLSA-N 2 2 292.383 0.090 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000236687715 352205070 /nfs/dbraw/zinc/20/50/70/352205070.db2.gz BJBNQUSKHWEOPY-CHWSQXEVSA-N 2 2 269.389 0.211 20 0 CCADLP CC[C@H]([NH3+])C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000236918503 352228134 /nfs/dbraw/zinc/22/81/34/352228134.db2.gz QRNWLAVYBMMIOD-AAEUAGOBSA-N 2 2 292.383 0.660 20 0 CCADLP CCOc1ccc(C[NH+]2CCN(C(=O)C[NH2+]C)CC2)cc1 ZINC000236931377 352228739 /nfs/dbraw/zinc/22/87/39/352228739.db2.gz WKWUQFUGXZYCKF-UHFFFAOYSA-N 2 2 291.395 0.949 20 0 CCADLP C[NH2+]CC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1OC ZINC000237273458 352257712 /nfs/dbraw/zinc/25/77/12/352257712.db2.gz GNRYCBRQHMAAGU-CQSZACIVSA-N 2 2 288.351 0.854 20 0 CCADLP C[C@H]([C@H](C)NC(=O)NC1CCC([NH3+])CC1)[NH+]1CCOCC1 ZINC000417517465 233966235 /nfs/dbraw/zinc/96/62/35/233966235.db2.gz IZUDDLKTIOEVEH-MRFVTOPCSA-N 2 2 298.431 0.665 20 0 CCADLP CCn1c[nH+]cc1CN1CC[N@H+](CCO)C[C@H]1C ZINC000418114771 234008850 /nfs/dbraw/zinc/00/88/50/234008850.db2.gz 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352324163 /nfs/dbraw/zinc/32/41/63/352324163.db2.gz XRSXPVFMYVTCPN-GHMZBOCLSA-N 2 2 270.377 0.104 20 0 CCADLP C[C@H]1CC[N@H+](CCCC(=O)NC(N)=O)C[C@H]1n1cc[nH+]c1 ZINC000245610947 352330603 /nfs/dbraw/zinc/33/06/03/352330603.db2.gz OAHZMYMUPHXXDL-NWDGAFQWSA-N 2 2 293.371 0.741 20 0 CCADLP C[C@H]1CC[N@@H+](CCCC(=O)NC(N)=O)C[C@H]1n1cc[nH+]c1 ZINC000245610947 352330610 /nfs/dbraw/zinc/33/06/10/352330610.db2.gz OAHZMYMUPHXXDL-NWDGAFQWSA-N 2 2 293.371 0.741 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246291885 352360269 /nfs/dbraw/zinc/36/02/69/352360269.db2.gz AVRLUQWTQLYBMG-QWRGUYRKSA-N 2 2 270.377 0.104 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246291885 352360274 /nfs/dbraw/zinc/36/02/74/352360274.db2.gz AVRLUQWTQLYBMG-QWRGUYRKSA-N 2 2 270.377 0.104 20 0 CCADLP C([C@@H]1CCCO1)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000247127082 352400039 /nfs/dbraw/zinc/40/00/39/352400039.db2.gz ZDZVSHWMROGLHH-KBPBESRZSA-N 2 2 254.374 0.820 20 0 CCADLP C([C@@H]1CCCO1)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000247127082 352400042 /nfs/dbraw/zinc/40/00/42/352400042.db2.gz ZDZVSHWMROGLHH-KBPBESRZSA-N 2 2 254.374 0.820 20 0 CCADLP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000655416348 412564382 /nfs/dbraw/zinc/56/43/82/412564382.db2.gz QEKWWODLOIBFRR-VXGBXAGGSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246840151 352384740 /nfs/dbraw/zinc/38/47/40/352384740.db2.gz YOKRQTFPWVVINA-RDBSUJKOSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246840151 352384744 /nfs/dbraw/zinc/38/47/44/352384744.db2.gz YOKRQTFPWVVINA-RDBSUJKOSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246914813 352388105 /nfs/dbraw/zinc/38/81/05/352388105.db2.gz PWLFCEHGQOVORM-KKUMJFAQSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246914813 352388109 /nfs/dbraw/zinc/38/81/09/352388109.db2.gz PWLFCEHGQOVORM-KKUMJFAQSA-N 2 2 297.443 0.944 20 0 CCADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NC[C@@H]3CCCO3)CC[C@H]21 ZINC000248066068 352431477 /nfs/dbraw/zinc/43/14/77/352431477.db2.gz MGLNMODGNLILPC-QLFBSQMISA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NC[C@@H]3CCCO3)CC[C@H]21 ZINC000248066068 352431478 /nfs/dbraw/zinc/43/14/78/352431478.db2.gz MGLNMODGNLILPC-QLFBSQMISA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NC[C@@H]3CCCO3)CC[C@H]21 ZINC000248066068 352431480 /nfs/dbraw/zinc/43/14/80/352431480.db2.gz MGLNMODGNLILPC-QLFBSQMISA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NC[C@@H]3CCCO3)CC[C@H]21 ZINC000248066068 352431481 /nfs/dbraw/zinc/43/14/81/352431481.db2.gz MGLNMODGNLILPC-QLFBSQMISA-N 2 2 295.427 0.698 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CO)C2)CC1 ZINC000249513468 352493896 /nfs/dbraw/zinc/49/38/96/352493896.db2.gz XQNJYCPQSHSEQQ-ZIAGYGMSSA-N 2 2 283.416 0.243 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](CO)C2)CC1 ZINC000249513468 352493900 /nfs/dbraw/zinc/49/39/00/352493900.db2.gz XQNJYCPQSHSEQQ-ZIAGYGMSSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)NC(=O)NC2CCCC2)CC[C@H]1[NH3+] ZINC000251884391 352512777 /nfs/dbraw/zinc/51/27/77/352512777.db2.gz VAUPZKJAKKDTPT-ZYHUDNBSSA-N 2 2 282.388 0.424 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CCCC2)CC[C@H]1[NH3+] ZINC000251884391 352512780 /nfs/dbraw/zinc/51/27/80/352512780.db2.gz VAUPZKJAKKDTPT-ZYHUDNBSSA-N 2 2 282.388 0.424 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252419300 352513978 /nfs/dbraw/zinc/51/39/78/352513978.db2.gz YVQRYUWHYTVSLZ-SDDRHHMPSA-N 2 2 282.388 0.295 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252419300 352513979 /nfs/dbraw/zinc/51/39/79/352513979.db2.gz YVQRYUWHYTVSLZ-SDDRHHMPSA-N 2 2 282.388 0.295 20 0 CCADLP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261574196 352561457 /nfs/dbraw/zinc/56/14/57/352561457.db2.gz MNPHGIVTGYVSKD-NEPJUHHUSA-N 2 2 253.390 0.833 20 0 CCADLP CCC(C)(C)NC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261574196 352561461 /nfs/dbraw/zinc/56/14/61/352561461.db2.gz MNPHGIVTGYVSKD-NEPJUHHUSA-N 2 2 253.390 0.833 20 0 CCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261570206 352561838 /nfs/dbraw/zinc/56/18/38/352561838.db2.gz KEUFXKRQGHZSMQ-RWMBFGLXSA-N 2 2 253.390 0.927 20 0 CCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261570206 352561840 /nfs/dbraw/zinc/56/18/40/352561840.db2.gz KEUFXKRQGHZSMQ-RWMBFGLXSA-N 2 2 253.390 0.927 20 0 CCADLP Cn1nc2c(cc1=O)C[N@@H+](C[C@@]1(C)CC[NH2+]C1)CC2 ZINC000262020713 352569409 /nfs/dbraw/zinc/56/94/09/352569409.db2.gz NDOOQYJHQAUIPW-AWEZNQCLSA-N 2 2 262.357 0.138 20 0 CCADLP Cn1nc2c(cc1=O)C[N@H+](C[C@@]1(C)CC[NH2+]C1)CC2 ZINC000262020713 352569410 /nfs/dbraw/zinc/56/94/10/352569410.db2.gz NDOOQYJHQAUIPW-AWEZNQCLSA-N 2 2 262.357 0.138 20 0 CCADLP COC(=O)c1cn([C@@H]2CC[N@H+](CC(C)(C)[NH3+])C2)nn1 ZINC000262032201 352570907 /nfs/dbraw/zinc/57/09/07/352570907.db2.gz XGWXMMQNWFKNCO-SECBINFHSA-N 2 2 267.333 0.049 20 0 CCADLP COC(=O)c1cn([C@@H]2CC[N@@H+](CC(C)(C)[NH3+])C2)nn1 ZINC000262032201 352570909 /nfs/dbraw/zinc/57/09/09/352570909.db2.gz XGWXMMQNWFKNCO-SECBINFHSA-N 2 2 267.333 0.049 20 0 CCADLP [NH3+]CCCCNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000418504984 234142063 /nfs/dbraw/zinc/14/20/63/234142063.db2.gz BWSXILULIQGJGI-UHFFFAOYSA-N 2 2 280.372 0.846 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000266858930 352727389 /nfs/dbraw/zinc/72/73/89/352727389.db2.gz UCQAAPXAEVVMTQ-AWEZNQCLSA-N 2 2 293.367 0.254 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000266858930 352727390 /nfs/dbraw/zinc/72/73/90/352727390.db2.gz UCQAAPXAEVVMTQ-AWEZNQCLSA-N 2 2 293.367 0.254 20 0 CCADLP COCCCNC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267502796 352771359 /nfs/dbraw/zinc/77/13/59/352771359.db2.gz UYVOVNVNHDDKAE-UHFFFAOYSA-N 2 2 280.372 0.742 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000269720149 352868860 /nfs/dbraw/zinc/86/88/60/352868860.db2.gz XHFTUIMPJNFESC-SNVBAGLBSA-N 2 2 268.386 0.772 20 0 CCADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000418736048 234219054 /nfs/dbraw/zinc/21/90/54/234219054.db2.gz XVDMUDJKXABJRN-STQMWFEESA-N 2 2 291.399 0.957 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000270819095 352990387 /nfs/dbraw/zinc/99/03/87/352990387.db2.gz AWJJMIQSSMOEEO-UHFFFAOYSA-N 2 2 274.372 0.747 20 0 CCADLP Cn1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000270660312 352964560 /nfs/dbraw/zinc/96/45/60/352964560.db2.gz STZWVQCNADSJCN-ZDUSSCGKSA-N 2 2 264.373 0.455 20 0 CCADLP Cn1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000270660312 352964563 /nfs/dbraw/zinc/96/45/63/352964563.db2.gz STZWVQCNADSJCN-ZDUSSCGKSA-N 2 2 264.373 0.455 20 0 CCADLP Cc1cc(C)c(CNC(=O)C(=O)N2C[C@H](C)[C@H]([NH3+])C2)c[nH+]1 ZINC000418889530 234254119 /nfs/dbraw/zinc/25/41/19/234254119.db2.gz QGHHEXBYNNJIQB-GXFFZTMASA-N 2 2 290.367 0.120 20 0 CCADLP Nc1nc(-n2cccn2)cc(N2CC[NH+](C3CCC3)CC2)[nH+]1 ZINC000271312451 353033698 /nfs/dbraw/zinc/03/36/98/353033698.db2.gz MDQWEARGFNPGGG-UHFFFAOYSA-N 2 2 299.382 0.919 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)CCO1 ZINC000655446359 412572382 /nfs/dbraw/zinc/57/23/82/412572382.db2.gz PQFNIWSYKGJBNZ-CJNGLKHVSA-N 2 2 295.427 0.603 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)CCO1 ZINC000655446359 412572385 /nfs/dbraw/zinc/57/23/85/412572385.db2.gz PQFNIWSYKGJBNZ-CJNGLKHVSA-N 2 2 295.427 0.603 20 0 CCADLP Cc1cc(N2CC[NH+](C(C)(C)C(N)=O)CC2)cc[nH+]1 ZINC000274860050 353167964 /nfs/dbraw/zinc/16/79/64/353167964.db2.gz CSZNRFKRFHLOSF-UHFFFAOYSA-N 2 2 262.357 0.776 20 0 CCADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1nccs1 ZINC000275244797 353198630 /nfs/dbraw/zinc/19/86/30/353198630.db2.gz NZIYUJISMUPHBW-UHFFFAOYSA-N 2 2 282.413 0.739 20 0 CCADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1nccs1 ZINC000275244797 353198633 /nfs/dbraw/zinc/19/86/33/353198633.db2.gz NZIYUJISMUPHBW-UHFFFAOYSA-N 2 2 282.413 0.739 20 0 CCADLP C[C@@H]1C[N@H+](CCCn2cc[nH+]c2)CC[S@](=O)C1 ZINC000277282343 353234467 /nfs/dbraw/zinc/23/44/67/353234467.db2.gz BFRFKOUKKUZPHQ-PXAZEXFGSA-N 2 2 255.387 0.974 20 0 CCADLP C[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)CC[S@](=O)C1 ZINC000277282343 353234472 /nfs/dbraw/zinc/23/44/72/353234472.db2.gz BFRFKOUKKUZPHQ-PXAZEXFGSA-N 2 2 255.387 0.974 20 0 CCADLP CC(C)[C@H]1CN(C(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC000362838077 535219453 /nfs/dbraw/zinc/21/94/53/535219453.db2.gz BJMOUULCPFKXBN-UONOGXRCSA-N 2 2 298.431 0.299 20 0 CCADLP CC(C)[C@H]1CN(C(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC000362838077 535219459 /nfs/dbraw/zinc/21/94/59/535219459.db2.gz BJMOUULCPFKXBN-UONOGXRCSA-N 2 2 298.431 0.299 20 0 CCADLP CC(C)[C@H]1CN(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC000362838077 535219464 /nfs/dbraw/zinc/21/94/64/535219464.db2.gz BJMOUULCPFKXBN-UONOGXRCSA-N 2 2 298.431 0.299 20 0 CCADLP CC(C)[C@H]1CN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC000362838077 535219470 /nfs/dbraw/zinc/21/94/70/535219470.db2.gz BJMOUULCPFKXBN-UONOGXRCSA-N 2 2 298.431 0.299 20 0 CCADLP OCC[C@]1([NH2+]Cc2cccc3[nH+]ccn32)CCOC1 ZINC000278461499 353302030 /nfs/dbraw/zinc/30/20/30/353302030.db2.gz FAWVMAAWUVMECS-AWEZNQCLSA-N 2 2 261.325 0.965 20 0 CCADLP CN(C)c1cc[nH+]cc1C[NH2+]CC(=O)NCC(F)F ZINC000280337442 353356070 /nfs/dbraw/zinc/35/60/70/353356070.db2.gz QZBRKUKFVJWZAM-UHFFFAOYSA-N 2 2 272.299 0.619 20 0 CCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000655452174 412576984 /nfs/dbraw/zinc/57/69/84/412576984.db2.gz DZLBJJWTWRICQZ-IUODEOHRSA-N 2 2 274.368 0.658 20 0 CCADLP CSCC[C@@H]([NH3+])C(=O)N(C)CCCn1cc[nH+]c1 ZINC000157640189 188329758 /nfs/dbraw/zinc/32/97/58/188329758.db2.gz WATIAQJPMFUSNZ-LLVKDONJSA-N 2 2 270.402 0.812 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000280595983 353370619 /nfs/dbraw/zinc/37/06/19/353370619.db2.gz UEDSFGLAIKSVDK-UHFFFAOYSA-N 2 2 294.399 0.580 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000280595983 353370622 /nfs/dbraw/zinc/37/06/22/353370622.db2.gz UEDSFGLAIKSVDK-UHFFFAOYSA-N 2 2 294.399 0.580 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)[C@H](c1c[nH+]cn1C)N(C)C ZINC000280654973 353373810 /nfs/dbraw/zinc/37/38/10/353373810.db2.gz AAJXIWLVMVDWJE-AAEUAGOBSA-N 2 2 281.404 0.479 20 0 CCADLP Cc1cc[nH+]c(N2CCO[C@H](C[N@@H+](C)CC(N)=O)C2)c1 ZINC000282164760 353399029 /nfs/dbraw/zinc/39/90/29/353399029.db2.gz DITFMJSHOVOHGP-GFCCVEGCSA-N 2 2 278.356 0.012 20 0 CCADLP Cc1cc[nH+]c(N2CCO[C@H](C[N@H+](C)CC(N)=O)C2)c1 ZINC000282164760 353399030 /nfs/dbraw/zinc/39/90/30/353399030.db2.gz DITFMJSHOVOHGP-GFCCVEGCSA-N 2 2 278.356 0.012 20 0 CCADLP O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655463049 412582756 /nfs/dbraw/zinc/58/27/56/412582756.db2.gz CHUHWKRRRYAWCV-VXGBXAGGSA-N 2 2 274.368 0.704 20 0 CCADLP C[NH+](C)CCn1ccc(=NC(=O)[C@H]2CCCC[N@@H+]2C)[nH]1 ZINC000606359856 363279414 /nfs/dbraw/zinc/27/94/14/363279414.db2.gz UOKNFFPTUFNHSD-GFCCVEGCSA-N 2 2 279.388 0.289 20 0 CCADLP C[NH+](C)CCn1ccc(=NC(=O)[C@H]2CCCC[N@H+]2C)[nH]1 ZINC000606359856 363279418 /nfs/dbraw/zinc/27/94/18/363279418.db2.gz UOKNFFPTUFNHSD-GFCCVEGCSA-N 2 2 279.388 0.289 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[C@]3(CC[N@H+](C)C3)C2)nc[nH+]1 ZINC000299081994 353989164 /nfs/dbraw/zinc/98/91/64/353989164.db2.gz VVILDNILBQQNHS-WFASDCNBSA-N 2 2 291.399 0.801 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[C@]3(CC[N@@H+](C)C3)C2)nc[nH+]1 ZINC000299081994 353989167 /nfs/dbraw/zinc/98/91/67/353989167.db2.gz VVILDNILBQQNHS-WFASDCNBSA-N 2 2 291.399 0.801 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[C@]3(CC[N@H+](C)C3)C2)[nH+]cn1 ZINC000299081994 353989171 /nfs/dbraw/zinc/98/91/71/353989171.db2.gz VVILDNILBQQNHS-WFASDCNBSA-N 2 2 291.399 0.801 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[C@]3(CC[N@@H+](C)C3)C2)[nH+]cn1 ZINC000299081994 353989173 /nfs/dbraw/zinc/98/91/73/353989173.db2.gz VVILDNILBQQNHS-WFASDCNBSA-N 2 2 291.399 0.801 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)NCCCn1cc[nH+]c1 ZINC000299478382 354019952 /nfs/dbraw/zinc/01/99/52/354019952.db2.gz AMPMCQGGMCDQRB-UHFFFAOYSA-N 2 2 276.344 0.778 20 0 CCADLP Cc1nc(NC[C@H](C)C[NH+]2CCCC2)nc(N)[nH+]1 ZINC000302643659 354083605 /nfs/dbraw/zinc/08/36/05/354083605.db2.gz UIDRQZHLDYMLTE-VIFPVBQESA-N 2 2 250.350 0.906 20 0 CCADLP Cc1nc(N)nc(NC[C@H](C)C[NH+]2CCCC2)[nH+]1 ZINC000302643659 354083608 /nfs/dbraw/zinc/08/36/08/354083608.db2.gz UIDRQZHLDYMLTE-VIFPVBQESA-N 2 2 250.350 0.906 20 0 CCADLP C[NH+](C)C[C@@H](O)C[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000305160407 354134530 /nfs/dbraw/zinc/13/45/30/354134530.db2.gz WUZPFAZZORKQTI-INIZCTEOSA-N 2 2 292.427 0.558 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc([S@@](C)=O)cc1 ZINC000305238230 354140837 /nfs/dbraw/zinc/14/08/37/354140837.db2.gz ZOALRIGBWIHETN-IFXJQAMLSA-N 2 2 284.425 0.826 20 0 CCADLP O=C1CCCN1C[C@@H](O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000305249347 354141824 /nfs/dbraw/zinc/14/18/24/354141824.db2.gz UQHVNPKUYXCZGQ-STQMWFEESA-N 2 2 292.383 0.572 20 0 CCADLP O=C1CCCN1C[C@@H](O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000305249347 354141827 /nfs/dbraw/zinc/14/18/27/354141827.db2.gz UQHVNPKUYXCZGQ-STQMWFEESA-N 2 2 292.383 0.572 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000311171268 354197715 /nfs/dbraw/zinc/19/77/15/354197715.db2.gz SVNPUFLGAPSBQW-AWEZNQCLSA-N 3 2 257.422 0.573 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000311171268 354197717 /nfs/dbraw/zinc/19/77/17/354197717.db2.gz SVNPUFLGAPSBQW-AWEZNQCLSA-N 3 2 257.422 0.573 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](CC(=O)NC2CCCCCC2)CCCO1 ZINC000313354071 354214003 /nfs/dbraw/zinc/21/40/03/354214003.db2.gz PWOTVQZXOVNBHD-AWEZNQCLSA-N 2 2 283.416 0.875 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)NC2CCCCCC2)CCCO1 ZINC000313354071 354214007 /nfs/dbraw/zinc/21/40/07/354214007.db2.gz PWOTVQZXOVNBHD-AWEZNQCLSA-N 2 2 283.416 0.875 20 0 CCADLP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313348191 354214079 /nfs/dbraw/zinc/21/40/79/354214079.db2.gz KRDJRRQHSZQQQM-MCIONIFRSA-N 2 2 283.416 0.826 20 0 CCADLP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313348191 354214081 /nfs/dbraw/zinc/21/40/81/354214081.db2.gz KRDJRRQHSZQQQM-MCIONIFRSA-N 2 2 283.416 0.826 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCO[C@H](Cn2cncn2)C1 ZINC000328636034 354243555 /nfs/dbraw/zinc/24/35/55/354243555.db2.gz CHFIFXRZZITCBX-ZDUSSCGKSA-N 2 2 276.344 0.184 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCO[C@H](Cn2cncn2)C1 ZINC000328636034 354243559 /nfs/dbraw/zinc/24/35/59/354243559.db2.gz CHFIFXRZZITCBX-ZDUSSCGKSA-N 2 2 276.344 0.184 20 0 CCADLP C[C@H]1CO[C@@H](CO)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000314467991 354222709 /nfs/dbraw/zinc/22/27/09/354222709.db2.gz ZFNKQUQNHYYKIZ-WCQYABFASA-N 2 2 253.346 0.434 20 0 CCADLP C[C@H]1CO[C@@H](CO)C[N@H+]1CCCc1c[nH+]cn1C ZINC000314467991 354222713 /nfs/dbraw/zinc/22/27/13/354222713.db2.gz ZFNKQUQNHYYKIZ-WCQYABFASA-N 2 2 253.346 0.434 20 0 CCADLP CCCN(C(=O)N[C@@H](C)C[NH+]1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000557115960 291022847 /nfs/dbraw/zinc/02/28/47/291022847.db2.gz FZHZZPOSAQCLCV-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP C[N@@H+]1CCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])[C@H](C[NH3+])C1 ZINC000557169047 291024646 /nfs/dbraw/zinc/02/46/46/291024646.db2.gz PHPPFHYXDXRJHJ-VGVBULKLSA-N 3 2 294.443 0.241 20 0 CCADLP C[N@H+]1CCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])[C@H](C[NH3+])C1 ZINC000557169047 291024649 /nfs/dbraw/zinc/02/46/49/291024649.db2.gz PHPPFHYXDXRJHJ-VGVBULKLSA-N 3 2 294.443 0.241 20 0 CCADLP O=C(NCCC1CC[NH2+]CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000655486130 412588565 /nfs/dbraw/zinc/58/85/65/412588565.db2.gz OADFMFLDTMYTBA-ZDUSSCGKSA-N 2 2 276.384 0.951 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+](C)[C@H](C)CS(C)(=O)=O ZINC000330364765 354326182 /nfs/dbraw/zinc/32/61/82/354326182.db2.gz WEYGSGZTANLDBY-SNVBAGLBSA-N 2 2 259.375 0.556 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+](C)[C@H](C)CS(C)(=O)=O ZINC000330364765 354326184 /nfs/dbraw/zinc/32/61/84/354326184.db2.gz WEYGSGZTANLDBY-SNVBAGLBSA-N 2 2 259.375 0.556 20 0 CCADLP CN(C1CC[NH+](CCn2cc[nH+]c2)CC1)S(C)(=O)=O ZINC000330365053 354326814 /nfs/dbraw/zinc/32/68/14/354326814.db2.gz DEKSFFAQXAQLNA-UHFFFAOYSA-N 2 2 286.401 0.239 20 0 CCADLP CCCN(C(=O)[C@@H](C)[NH+]1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000429103458 283015132 /nfs/dbraw/zinc/01/51/32/283015132.db2.gz BTPGQQDYMXHKPI-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP Cc1cc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)nn1C ZINC000330389357 354340208 /nfs/dbraw/zinc/34/02/08/354340208.db2.gz XYQPWFCJVJKPKC-DGCLKSJQSA-N 2 2 252.362 0.446 20 0 CCADLP Cc1cc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)nn1C ZINC000330389357 354340211 /nfs/dbraw/zinc/34/02/11/354340211.db2.gz XYQPWFCJVJKPKC-DGCLKSJQSA-N 2 2 252.362 0.446 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000346155649 283018660 /nfs/dbraw/zinc/01/86/60/283018660.db2.gz SBGBIEWWUWKDBC-ZDUSSCGKSA-N 2 2 267.373 0.014 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000346155649 283018663 /nfs/dbraw/zinc/01/86/63/283018663.db2.gz SBGBIEWWUWKDBC-ZDUSSCGKSA-N 2 2 267.373 0.014 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488446 412590372 /nfs/dbraw/zinc/59/03/72/412590372.db2.gz ZTGODHUGSXBBQS-ZSAUSMIDSA-N 2 2 297.443 0.988 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488446 412590375 /nfs/dbraw/zinc/59/03/75/412590375.db2.gz ZTGODHUGSXBBQS-ZSAUSMIDSA-N 2 2 297.443 0.988 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](O)C2CCOCC2)n1C ZINC000331243570 354502587 /nfs/dbraw/zinc/50/25/87/354502587.db2.gz PKTQTCKNTSIVAU-ZDUSSCGKSA-N 2 2 282.388 0.363 20 0 CCADLP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000557482126 291034146 /nfs/dbraw/zinc/03/41/46/291034146.db2.gz XNBPJEALFPINAY-LLVKDONJSA-N 2 2 264.373 0.902 20 0 CCADLP C[C@@H](C[NH+](C)C)[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000289877321 295885999 /nfs/dbraw/zinc/88/59/99/295885999.db2.gz RTYSFRZIVVKSBU-NSHDSACASA-N 2 2 275.352 0.822 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000333543497 354761267 /nfs/dbraw/zinc/76/12/67/354761267.db2.gz JOLIZCGEOAZLMA-MGPQQGTHSA-N 2 2 297.447 0.014 20 0 CCADLP CN1CC[C@@H]([N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)C1=O ZINC000334495084 283044305 /nfs/dbraw/zinc/04/43/05/283044305.db2.gz GFBOTIIZEHBBHA-OCCSQVGLSA-N 2 2 251.374 0.635 20 0 CCADLP CN1CC[C@@H]([N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)C1=O ZINC000334495084 283044306 /nfs/dbraw/zinc/04/43/06/283044306.db2.gz GFBOTIIZEHBBHA-OCCSQVGLSA-N 2 2 251.374 0.635 20 0 CCADLP CN1CC[C@@H]([NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)C1=O ZINC000334495084 283044308 /nfs/dbraw/zinc/04/43/08/283044308.db2.gz GFBOTIIZEHBBHA-OCCSQVGLSA-N 2 2 251.374 0.635 20 0 CCADLP CN1CC[C@@H]([NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)C1=O ZINC000334495084 283044310 /nfs/dbraw/zinc/04/43/10/283044310.db2.gz GFBOTIIZEHBBHA-OCCSQVGLSA-N 2 2 251.374 0.635 20 0 CCADLP CO[C@H](C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000423136831 234934404 /nfs/dbraw/zinc/93/44/04/234934404.db2.gz PSLBWTUDMKXQDJ-HZSPNIEDSA-N 2 2 254.374 0.768 20 0 CCADLP O=C(N1CCCC1)N1CCC[C@H]([NH2+][C@H]2CC[NH2+]C2)C1 ZINC000335028089 354940537 /nfs/dbraw/zinc/94/05/37/354940537.db2.gz WHQZYOKKYPYZKZ-STQMWFEESA-N 2 2 266.389 0.618 20 0 CCADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC000335107992 354964229 /nfs/dbraw/zinc/96/42/29/354964229.db2.gz DVDWCSHLCVQYSY-QWHCGFSZSA-N 2 2 262.357 0.826 20 0 CCADLP C[N@H+]1C[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC000335107992 354964231 /nfs/dbraw/zinc/96/42/31/354964231.db2.gz DVDWCSHLCVQYSY-QWHCGFSZSA-N 2 2 262.357 0.826 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000423813103 235089573 /nfs/dbraw/zinc/08/95/73/235089573.db2.gz DKKPENRZSDMEFQ-YPMHNXCESA-N 2 2 297.424 0.927 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CCc1c[nH+]cn1C ZINC000336131057 355099477 /nfs/dbraw/zinc/09/94/77/355099477.db2.gz GRUAMBCAHUDWFY-NWDGAFQWSA-N 2 2 264.373 0.904 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CCc1c[nH+]cn1C ZINC000336131057 355099482 /nfs/dbraw/zinc/09/94/82/355099482.db2.gz GRUAMBCAHUDWFY-NWDGAFQWSA-N 2 2 264.373 0.904 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+](C)CCn1cccn1)C1CC1 ZINC000336793216 355165898 /nfs/dbraw/zinc/16/58/98/355165898.db2.gz VUSKZGRUMRRAGK-CYBMUJFWSA-N 2 2 252.362 0.270 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+](C)CCn1cccn1)C1CC1 ZINC000336793216 355165900 /nfs/dbraw/zinc/16/59/00/355165900.db2.gz VUSKZGRUMRRAGK-CYBMUJFWSA-N 2 2 252.362 0.270 20 0 CCADLP C[NH+](CCn1cccn1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336793216 355165902 /nfs/dbraw/zinc/16/59/02/355165902.db2.gz VUSKZGRUMRRAGK-CYBMUJFWSA-N 2 2 252.362 0.270 20 0 CCADLP C[NH+](CCn1cccn1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336793216 355165905 /nfs/dbraw/zinc/16/59/05/355165905.db2.gz VUSKZGRUMRRAGK-CYBMUJFWSA-N 2 2 252.362 0.270 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000336688206 355135150 /nfs/dbraw/zinc/13/51/50/355135150.db2.gz AEMHBKSCSTXJJN-YPMHNXCESA-N 2 2 251.374 0.633 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000336688206 355135153 /nfs/dbraw/zinc/13/51/53/355135153.db2.gz AEMHBKSCSTXJJN-YPMHNXCESA-N 2 2 251.374 0.633 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)C(C)C ZINC000336833550 355207319 /nfs/dbraw/zinc/20/73/19/355207319.db2.gz OOTKQOFACLZXMT-RMRHIDDWSA-N 2 2 281.400 0.385 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)C(C)C ZINC000336833550 355207320 /nfs/dbraw/zinc/20/73/20/355207320.db2.gz OOTKQOFACLZXMT-RMRHIDDWSA-N 2 2 281.400 0.385 20 0 CCADLP CN(C)c1nc(N)nc(C[NH+]2CCC(C[NH+](C)C)CC2)n1 ZINC000336840621 355211597 /nfs/dbraw/zinc/21/15/97/355211597.db2.gz XIVUGARWVKDVNZ-UHFFFAOYSA-N 2 2 293.419 0.124 20 0 CCADLP Cn1cncc1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000336801977 355176865 /nfs/dbraw/zinc/17/68/65/355176865.db2.gz SBIMINYGZJDLQB-UHFFFAOYSA-N 2 2 265.405 0.489 20 0 CCADLP Cn1cncc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000336801977 355176867 /nfs/dbraw/zinc/17/68/67/355176867.db2.gz SBIMINYGZJDLQB-UHFFFAOYSA-N 2 2 265.405 0.489 20 0 CCADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)[C@]12C[C@H]1CC[NH2+]2 ZINC000424188812 235175066 /nfs/dbraw/zinc/17/50/66/235175066.db2.gz JZAPVFSNOBIZIT-KKZNHRDASA-N 2 2 259.300 0.099 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000336817475 355191112 /nfs/dbraw/zinc/19/11/12/355191112.db2.gz QMKYKFJVIYRMFF-QLFBSQMISA-N 3 2 269.433 0.763 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000336817475 355191113 /nfs/dbraw/zinc/19/11/13/355191113.db2.gz QMKYKFJVIYRMFF-QLFBSQMISA-N 3 2 269.433 0.763 20 0 CCADLP Cc1c(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cnn1C ZINC000336819962 355192999 /nfs/dbraw/zinc/19/29/99/355192999.db2.gz BHSVDFXJNDVHIC-AWEZNQCLSA-N 2 2 278.400 0.883 20 0 CCADLP Cc1c(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cnn1C ZINC000336819962 355193002 /nfs/dbraw/zinc/19/30/02/355193002.db2.gz BHSVDFXJNDVHIC-AWEZNQCLSA-N 2 2 278.400 0.883 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000338328270 355323055 /nfs/dbraw/zinc/32/30/55/355323055.db2.gz ZVBPHHNKCVVGEU-YPMHNXCESA-N 2 2 289.445 0.198 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000338328270 355323058 /nfs/dbraw/zinc/32/30/58/355323058.db2.gz ZVBPHHNKCVVGEU-YPMHNXCESA-N 2 2 289.445 0.198 20 0 CCADLP COCC(C)(C)[NH+]1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000424991261 235248098 /nfs/dbraw/zinc/24/80/98/235248098.db2.gz NOUMASWCFFBCLL-UHFFFAOYSA-N 2 2 294.399 0.912 20 0 CCADLP COC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000338783846 355418768 /nfs/dbraw/zinc/41/87/68/355418768.db2.gz XFNIRLLAENLRTB-HNNXBMFYSA-N 2 2 279.384 0.643 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC000339166933 355498012 /nfs/dbraw/zinc/49/80/12/355498012.db2.gz GHTJXIYLONQAPP-LBPRGKRZSA-N 2 2 280.372 0.190 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC000339166933 355498014 /nfs/dbraw/zinc/49/80/14/355498014.db2.gz GHTJXIYLONQAPP-LBPRGKRZSA-N 2 2 280.372 0.190 20 0 CCADLP CN(CC[NH+]1CCCC1)C(=O)CCc1c[nH+]cn1C ZINC000339090029 355485710 /nfs/dbraw/zinc/48/57/10/355485710.db2.gz IZEJYPZRTQMLIB-UHFFFAOYSA-N 2 2 264.373 0.907 20 0 CCADLP COC(=O)c1cn(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)nn1 ZINC000341253908 355640205 /nfs/dbraw/zinc/64/02/05/355640205.db2.gz NKMXYUCDVZOSJA-WDEREUQCSA-N 2 2 293.371 0.280 20 0 CCADLP COC(=O)c1cn(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)nn1 ZINC000341253908 355640211 /nfs/dbraw/zinc/64/02/11/355640211.db2.gz NKMXYUCDVZOSJA-WDEREUQCSA-N 2 2 293.371 0.280 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CC[NH+]2CCC1CC2 ZINC000341548967 355691396 /nfs/dbraw/zinc/69/13/96/355691396.db2.gz MFTIIVXSWKTODN-CYBMUJFWSA-N 2 2 296.415 0.197 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CC[NH+]2CCC1CC2 ZINC000341548967 355691399 /nfs/dbraw/zinc/69/13/99/355691399.db2.gz MFTIIVXSWKTODN-CYBMUJFWSA-N 2 2 296.415 0.197 20 0 CCADLP Cc1c[nH+]c(CN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)n1C ZINC000342796225 355748827 /nfs/dbraw/zinc/74/88/27/355748827.db2.gz JPGVSOGGZBIQKP-CHWSQXEVSA-N 2 2 266.389 0.615 20 0 CCADLP Cc1c[nH+]c(CN2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)n1C ZINC000342796225 355748830 /nfs/dbraw/zinc/74/88/30/355748830.db2.gz JPGVSOGGZBIQKP-CHWSQXEVSA-N 2 2 266.389 0.615 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000343482313 355770973 /nfs/dbraw/zinc/77/09/73/355770973.db2.gz WBHUDKCTMCPAGL-HZSPNIEDSA-N 2 2 282.432 0.127 20 0 CCADLP CN(CCC[N@H+](C)Cc1ncnn1C)CC[NH+](C)C ZINC000344065461 355783368 /nfs/dbraw/zinc/78/33/68/355783368.db2.gz OJPHSEMKPMWWBJ-UHFFFAOYSA-N 2 2 268.409 0.130 20 0 CCADLP CN(CCC[N@@H+](C)Cc1ncnn1C)CC[NH+](C)C ZINC000344065461 355783372 /nfs/dbraw/zinc/78/33/72/355783372.db2.gz OJPHSEMKPMWWBJ-UHFFFAOYSA-N 2 2 268.409 0.130 20 0 CCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)NCC[NH+]2CCOCC2)C[C@H]1C ZINC000345398774 355816026 /nfs/dbraw/zinc/81/60/26/355816026.db2.gz SWSMGGONXBLSKW-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP CC[N@H+]1C[C@@H](C)N(C(=O)NCC[NH+]2CCOCC2)C[C@H]1C ZINC000345398774 355816030 /nfs/dbraw/zinc/81/60/30/355816030.db2.gz SWSMGGONXBLSKW-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346978950 355875033 /nfs/dbraw/zinc/87/50/33/355875033.db2.gz LHTHFCMDSNHOKL-AWEZNQCLSA-N 3 2 269.433 0.765 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346978950 355875035 /nfs/dbraw/zinc/87/50/35/355875035.db2.gz LHTHFCMDSNHOKL-AWEZNQCLSA-N 3 2 269.433 0.765 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNc1[nH+]cnc2[nH]ccc21 ZINC000352638745 356037710 /nfs/dbraw/zinc/03/77/10/356037710.db2.gz WXMIMRHLTQCVJD-SNVBAGLBSA-N 2 2 261.329 0.512 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNc1[nH+]cnc2[nH]ccc21 ZINC000352638745 356037711 /nfs/dbraw/zinc/03/77/11/356037711.db2.gz WXMIMRHLTQCVJD-SNVBAGLBSA-N 2 2 261.329 0.512 20 0 CCADLP CC[N@@H+]1CCN(CCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000352668687 356047891 /nfs/dbraw/zinc/04/78/91/356047891.db2.gz UIGRYMVEMXHGLA-CQSZACIVSA-N 2 2 255.406 0.735 20 0 CCADLP CC[N@H+]1CCN(CCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000352668687 356047895 /nfs/dbraw/zinc/04/78/95/356047895.db2.gz UIGRYMVEMXHGLA-CQSZACIVSA-N 2 2 255.406 0.735 20 0 CCADLP C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C(=O)N(C)C ZINC000352710004 356060614 /nfs/dbraw/zinc/06/06/14/356060614.db2.gz GGNMGPWANCRIOK-SECBINFHSA-N 2 2 270.402 0.771 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]CCCS(C)(=O)=O)[C@H]2CCC[C@@H]21 ZINC000353383531 283135628 /nfs/dbraw/zinc/13/56/28/283135628.db2.gz FWYMYJBMPGTIKZ-AGIUHOORSA-N 2 2 274.430 0.884 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]CCCS(C)(=O)=O)[C@H]2CCC[C@@H]21 ZINC000353383531 283135629 /nfs/dbraw/zinc/13/56/29/283135629.db2.gz FWYMYJBMPGTIKZ-AGIUHOORSA-N 2 2 274.430 0.884 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000352776488 356077781 /nfs/dbraw/zinc/07/77/81/356077781.db2.gz SWESOZKCSIWJJC-QWHCGFSZSA-N 2 2 292.383 0.597 20 0 CCADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2COCCO2)s1 ZINC000352779293 356077792 /nfs/dbraw/zinc/07/77/92/356077792.db2.gz KUOAJQAPIPWEBO-SNVBAGLBSA-N 2 2 271.386 0.710 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N1CC[N@H+](CC)C[C@H]1C ZINC000352875259 356100043 /nfs/dbraw/zinc/10/00/43/356100043.db2.gz XOTMZVUTSUSRBP-CYBMUJFWSA-N 2 2 291.461 0.684 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N1CC[N@@H+](CC)C[C@H]1C ZINC000352875259 356100049 /nfs/dbraw/zinc/10/00/49/356100049.db2.gz XOTMZVUTSUSRBP-CYBMUJFWSA-N 2 2 291.461 0.684 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N(C)CC[NH+](C)C1CC1 ZINC000353100189 356156841 /nfs/dbraw/zinc/15/68/41/356156841.db2.gz ZQKSLVGLALGDGQ-ZDUSSCGKSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N(C)CC[NH+](C)C1CC1 ZINC000353100189 356156844 /nfs/dbraw/zinc/15/68/44/356156844.db2.gz ZQKSLVGLALGDGQ-ZDUSSCGKSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000353100189 356156847 /nfs/dbraw/zinc/15/68/47/356156847.db2.gz ZQKSLVGLALGDGQ-ZDUSSCGKSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000353100189 356156851 /nfs/dbraw/zinc/15/68/51/356156851.db2.gz ZQKSLVGLALGDGQ-ZDUSSCGKSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N(C)CC[NH+]1CCCC1 ZINC000353445476 356224410 /nfs/dbraw/zinc/22/44/10/356224410.db2.gz XDWZMVXYEALOPC-AWEZNQCLSA-N 2 2 298.431 0.444 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N(C)CC[NH+]1CCCC1 ZINC000353445476 356224412 /nfs/dbraw/zinc/22/44/12/356224412.db2.gz XDWZMVXYEALOPC-AWEZNQCLSA-N 2 2 298.431 0.444 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000353577592 356252422 /nfs/dbraw/zinc/25/24/22/356252422.db2.gz KRYWSAMKDOOPAN-OAHLLOKOSA-N 2 2 293.415 0.582 20 0 CCADLP C[C@H](NC(=O)[C@H]1[NH2+]CCCC1(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000423386427 299238617 /nfs/dbraw/zinc/23/86/17/299238617.db2.gz RVKOVDXSKGRPMX-MELADBBJSA-N 2 2 297.443 0.990 20 0 CCADLP Cc1cc[nH+]c(N2CC[NH+]([C@H]3COC[C@@H]3O)CC2)c1 ZINC000361307763 138028414 /nfs/dbraw/zinc/02/84/14/138028414.db2.gz HZGAXURAULEGAX-STQMWFEESA-N 2 2 263.341 0.272 20 0 CCADLP CCn1cc[nH+]c1CN1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000353987662 356326600 /nfs/dbraw/zinc/32/66/00/356326600.db2.gz QSSMIYUZTDLFBX-UHFFFAOYSA-N 2 2 293.415 0.499 20 0 CCADLP COC[C@H]([NH3+])C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000353807870 356297998 /nfs/dbraw/zinc/29/79/98/356297998.db2.gz RZWHQTAYYLWCRF-LBPRGKRZSA-N 2 2 290.367 0.825 20 0 CCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cncc(F)c1 ZINC000361133088 138022810 /nfs/dbraw/zinc/02/28/10/138022810.db2.gz UWGSMISAJGEMFS-NSHDSACASA-N 2 2 280.347 0.645 20 0 CCADLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)[C@H]1CCOC1 ZINC000361219656 138025579 /nfs/dbraw/zinc/02/55/79/138025579.db2.gz FVCUKUVYVFFEFA-MELADBBJSA-N 2 2 283.416 0.731 20 0 CCADLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)[C@H]1CCOC1 ZINC000361219656 138025580 /nfs/dbraw/zinc/02/55/80/138025580.db2.gz FVCUKUVYVFFEFA-MELADBBJSA-N 2 2 283.416 0.731 20 0 CCADLP COC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)C(C)C ZINC000361220086 138025891 /nfs/dbraw/zinc/02/58/91/138025891.db2.gz IQJGMQQNNXZRFX-CHWSQXEVSA-N 2 2 271.405 0.587 20 0 CCADLP COC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)C(C)C ZINC000361220086 138025892 /nfs/dbraw/zinc/02/58/92/138025892.db2.gz IQJGMQQNNXZRFX-CHWSQXEVSA-N 2 2 271.405 0.587 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)CCCn1cc[nH+]c1C ZINC000362235519 138051616 /nfs/dbraw/zinc/05/16/16/138051616.db2.gz KTNCPOSQSHMTSE-CQSZACIVSA-N 2 2 294.399 0.761 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N(C)CCCn1cc[nH+]c1C ZINC000362235519 138051617 /nfs/dbraw/zinc/05/16/17/138051617.db2.gz KTNCPOSQSHMTSE-CQSZACIVSA-N 2 2 294.399 0.761 20 0 CCADLP CN(C)c1[nH+]cc(C[NH+]2CCC(n3cncn3)CC2)n1C ZINC000362297665 138053965 /nfs/dbraw/zinc/05/39/65/138053965.db2.gz ZEYHNCYOZSCNPL-UHFFFAOYSA-N 2 2 289.387 0.915 20 0 CCADLP CC(C)OCCC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362826360 138076042 /nfs/dbraw/zinc/07/60/42/138076042.db2.gz NDQHIELSURTPOP-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP CC(C)OCCC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362826360 138076043 /nfs/dbraw/zinc/07/60/43/138076043.db2.gz NDQHIELSURTPOP-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC000362838075 138076560 /nfs/dbraw/zinc/07/65/60/138076560.db2.gz BJMOUULCPFKXBN-KBPBESRZSA-N 2 2 298.431 0.299 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC000362838075 138076561 /nfs/dbraw/zinc/07/65/61/138076561.db2.gz BJMOUULCPFKXBN-KBPBESRZSA-N 2 2 298.431 0.299 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC000362838075 138076562 /nfs/dbraw/zinc/07/65/62/138076562.db2.gz BJMOUULCPFKXBN-KBPBESRZSA-N 2 2 298.431 0.299 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC000362838075 138076563 /nfs/dbraw/zinc/07/65/63/138076563.db2.gz BJMOUULCPFKXBN-KBPBESRZSA-N 2 2 298.431 0.299 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1C[C@H](F)C[NH2+]1 ZINC000354618165 356454204 /nfs/dbraw/zinc/45/42/04/356454204.db2.gz VJCWPSKWOMCULN-QWRGUYRKSA-N 2 2 266.320 0.464 20 0 CCADLP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC000354787149 356498742 /nfs/dbraw/zinc/49/87/42/356498742.db2.gz JIMGUBCNZQJYNE-UKRRQHHQSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CC[C@H](CNC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC000354787149 356498744 /nfs/dbraw/zinc/49/87/44/356498744.db2.gz JIMGUBCNZQJYNE-UKRRQHHQSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CC[C@H](CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000354787149 356498745 /nfs/dbraw/zinc/49/87/45/356498745.db2.gz JIMGUBCNZQJYNE-UKRRQHHQSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CC[C@H](CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000354787149 356498746 /nfs/dbraw/zinc/49/87/46/356498746.db2.gz JIMGUBCNZQJYNE-UKRRQHHQSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H]1CN(C(=O)[C@H]2CCCO2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354949664 356535136 /nfs/dbraw/zinc/53/51/36/356535136.db2.gz SSGADSQZXZVTCR-DZGCQCFKSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@H]1CN(C(=O)[C@H]2CCCO2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354949664 356535139 /nfs/dbraw/zinc/53/51/39/356535139.db2.gz SSGADSQZXZVTCR-DZGCQCFKSA-N 2 2 295.427 0.792 20 0 CCADLP C[NH+]1CCc2nc(NC(=O)[C@H]3C[N@H+](C)CCO3)sc2C1 ZINC000174172625 283176183 /nfs/dbraw/zinc/17/61/83/283176183.db2.gz ONSQDFVINPTLTA-SNVBAGLBSA-N 2 2 296.396 0.400 20 0 CCADLP C[NH+]1CCc2nc(NC(=O)[C@H]3C[N@@H+](C)CCO3)sc2C1 ZINC000174172625 283176186 /nfs/dbraw/zinc/17/61/86/283176186.db2.gz ONSQDFVINPTLTA-SNVBAGLBSA-N 2 2 296.396 0.400 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000174172625 283176189 /nfs/dbraw/zinc/17/61/89/283176189.db2.gz ONSQDFVINPTLTA-SNVBAGLBSA-N 2 2 296.396 0.400 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000174172625 283176192 /nfs/dbraw/zinc/17/61/92/283176192.db2.gz ONSQDFVINPTLTA-SNVBAGLBSA-N 2 2 296.396 0.400 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157498 363475899 /nfs/dbraw/zinc/47/58/99/363475899.db2.gz XBOUNYJBHMBGJD-NEPJUHHUSA-N 2 2 293.371 0.754 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157498 363475901 /nfs/dbraw/zinc/47/59/01/363475901.db2.gz XBOUNYJBHMBGJD-NEPJUHHUSA-N 2 2 293.371 0.754 20 0 CCADLP C[NH+](C)CCCCC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000560602064 291109619 /nfs/dbraw/zinc/10/96/19/291109619.db2.gz URZDXKCFARSWAN-GFCCVEGCSA-N 2 2 257.378 0.165 20 0 CCADLP C[NH+](C)CCCCC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000560602064 291109620 /nfs/dbraw/zinc/10/96/20/291109620.db2.gz URZDXKCFARSWAN-GFCCVEGCSA-N 2 2 257.378 0.165 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NC1CC[NH+](C)CC1 ZINC000356114496 356705520 /nfs/dbraw/zinc/70/55/20/356705520.db2.gz HOMBZALWRPWLCT-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NC1CC[NH+](C)CC1 ZINC000356114496 356705522 /nfs/dbraw/zinc/70/55/22/356705522.db2.gz HOMBZALWRPWLCT-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000356284024 356740536 /nfs/dbraw/zinc/74/05/36/356740536.db2.gz QMJNEFPGOWTSHK-STQMWFEESA-N 2 2 285.432 0.990 20 0 CCADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000356284024 356740539 /nfs/dbraw/zinc/74/05/39/356740539.db2.gz QMJNEFPGOWTSHK-STQMWFEESA-N 2 2 285.432 0.990 20 0 CCADLP C[NH+](C)CCN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000356302295 356744133 /nfs/dbraw/zinc/74/41/33/356744133.db2.gz RMLNIJLPUOBVRL-GFCCVEGCSA-N 2 2 276.384 0.998 20 0 CCADLP O=S(=O)(NCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000359284861 356793809 /nfs/dbraw/zinc/79/38/09/356793809.db2.gz VGGDBPVIEHLOAE-STQMWFEESA-N 2 2 295.408 0.116 20 0 CCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)C1 ZINC000359451118 356824076 /nfs/dbraw/zinc/82/40/76/356824076.db2.gz XLQCIQQBLFLOFD-CABCVRRESA-N 2 2 296.459 0.423 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)C1 ZINC000359451118 356824077 /nfs/dbraw/zinc/82/40/77/356824077.db2.gz XLQCIQQBLFLOFD-CABCVRRESA-N 2 2 296.459 0.423 20 0 CCADLP C[C@H](C(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000359774171 356889498 /nfs/dbraw/zinc/88/94/98/356889498.db2.gz MFWSVMQXCPOVJO-UPJWGTAASA-N 2 2 269.389 0.116 20 0 CCADLP c1cn(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c[nH+]1 ZINC000655690387 412645678 /nfs/dbraw/zinc/64/56/78/412645678.db2.gz NHXVIWXTCVZALA-CQSZACIVSA-N 3 2 264.373 0.726 20 0 CCADLP CCN(C)C(=O)C[NH2+]C1CC[NH+](CCOC)CC1 ZINC000360029334 356938161 /nfs/dbraw/zinc/93/81/61/356938161.db2.gz MGYQTEWOQHBOFQ-UHFFFAOYSA-N 2 2 257.378 0.165 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000363901032 357069280 /nfs/dbraw/zinc/06/92/80/357069280.db2.gz SBQMHMOEGKWCGE-CABCVRRESA-N 2 2 295.427 0.794 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000363901032 357069283 /nfs/dbraw/zinc/06/92/83/357069283.db2.gz SBQMHMOEGKWCGE-CABCVRRESA-N 2 2 295.427 0.794 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000364366807 357113344 /nfs/dbraw/zinc/11/33/44/357113344.db2.gz QCTCTSOUFAMOQU-OLZOCXBDSA-N 2 2 278.356 0.253 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000364366807 357113345 /nfs/dbraw/zinc/11/33/45/357113345.db2.gz QCTCTSOUFAMOQU-OLZOCXBDSA-N 2 2 278.356 0.253 20 0 CCADLP CC1=C[C@H](C)C[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000336292351 213132292 /nfs/dbraw/zinc/13/22/92/213132292.db2.gz VXFBZYNHZNBKML-LBPRGKRZSA-N 2 2 251.374 0.658 20 0 CCADLP CC1=C[C@H](C)C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000336292351 213132295 /nfs/dbraw/zinc/13/22/95/213132295.db2.gz VXFBZYNHZNBKML-LBPRGKRZSA-N 2 2 251.374 0.658 20 0 CCADLP NC(=O)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655728895 412651717 /nfs/dbraw/zinc/65/17/17/412651717.db2.gz ZXBBMBNZUYUVNL-BPLDGKMQSA-N 2 2 295.427 0.873 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366494209 357219631 /nfs/dbraw/zinc/21/96/31/357219631.db2.gz BRQGOFPBYWWPMS-IAQYHMDHSA-N 2 2 294.399 0.391 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366494209 357219634 /nfs/dbraw/zinc/21/96/34/357219634.db2.gz BRQGOFPBYWWPMS-IAQYHMDHSA-N 2 2 294.399 0.391 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366494209 357219637 /nfs/dbraw/zinc/21/96/37/357219637.db2.gz BRQGOFPBYWWPMS-IAQYHMDHSA-N 2 2 294.399 0.391 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366494209 357219639 /nfs/dbraw/zinc/21/96/39/357219639.db2.gz BRQGOFPBYWWPMS-IAQYHMDHSA-N 2 2 294.399 0.391 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000366635038 357228327 /nfs/dbraw/zinc/22/83/27/357228327.db2.gz PBMOVWNVGMUGLI-GZBFAFLISA-N 2 2 281.400 0.213 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000366001144 357184847 /nfs/dbraw/zinc/18/48/47/357184847.db2.gz OXTWSLRGFXILEK-GFCCVEGCSA-N 2 2 267.373 0.062 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000366001144 357184849 /nfs/dbraw/zinc/18/48/49/357184849.db2.gz OXTWSLRGFXILEK-GFCCVEGCSA-N 2 2 267.373 0.062 20 0 CCADLP Cc1cnn(C)c1C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000368022147 357307824 /nfs/dbraw/zinc/30/78/24/357307824.db2.gz NLOHZNVEIYQXMT-HNNXBMFYSA-N 2 2 291.443 0.940 20 0 CCADLP Cc1cnn(C)c1C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000368022147 357307829 /nfs/dbraw/zinc/30/78/29/357307829.db2.gz NLOHZNVEIYQXMT-HNNXBMFYSA-N 2 2 291.443 0.940 20 0 CCADLP c1cn(CC[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)c[nH+]1 ZINC000367571490 357273797 /nfs/dbraw/zinc/27/37/97/357273797.db2.gz AXRUGROZEXHLNP-STQMWFEESA-N 2 2 251.330 0.763 20 0 CCADLP c1cn(CC[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)c[nH+]1 ZINC000367571490 357273813 /nfs/dbraw/zinc/27/38/13/357273813.db2.gz AXRUGROZEXHLNP-STQMWFEESA-N 2 2 251.330 0.763 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3=COCCO3)C2)CC1 ZINC000369274097 357343316 /nfs/dbraw/zinc/34/33/16/357343316.db2.gz MLMOPRWKJJFPGS-LBPRGKRZSA-N 2 2 295.383 0.159 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3=COCCO3)C2)CC1 ZINC000369274097 357343321 /nfs/dbraw/zinc/34/33/21/357343321.db2.gz MLMOPRWKJJFPGS-LBPRGKRZSA-N 2 2 295.383 0.159 20 0 CCADLP [NH2+]=C(NCc1c[nH+]c2n1CCCC2)N1CCOCC1 ZINC000376726709 357496959 /nfs/dbraw/zinc/49/69/59/357496959.db2.gz AYKVJALPPWUVHL-UHFFFAOYSA-N 2 2 263.345 0.576 20 0 CCADLP CC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)NC ZINC000655774934 412658441 /nfs/dbraw/zinc/65/84/41/412658441.db2.gz MTWCIGIXMCRGTM-CHWSQXEVSA-N 2 2 269.389 0.354 20 0 CCADLP CCN1C[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1=O ZINC000655772799 412657758 /nfs/dbraw/zinc/65/77/58/412657758.db2.gz QYMZJEYJXVROSM-UONOGXRCSA-N 2 2 281.400 0.450 20 0 CCADLP O[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655775290 412657790 /nfs/dbraw/zinc/65/77/90/412657790.db2.gz VMFNOFTZYFGSFK-BFHYXJOUSA-N 2 2 254.374 0.743 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCCNc1cccc[nH+]1 ZINC000449324722 236028247 /nfs/dbraw/zinc/02/82/47/236028247.db2.gz HIZZBRUGWYJRPB-VXGBXAGGSA-N 2 2 262.357 0.855 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)NCCCn1cc[nH+]c1C ZINC000378440533 357680633 /nfs/dbraw/zinc/68/06/33/357680633.db2.gz BTSAOUYOYZCMBQ-ZDUSSCGKSA-N 2 2 280.372 0.419 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)NCCCn1cc[nH+]c1C ZINC000378440533 357680636 /nfs/dbraw/zinc/68/06/36/357680636.db2.gz BTSAOUYOYZCMBQ-ZDUSSCGKSA-N 2 2 280.372 0.419 20 0 CCADLP COC(=O)C[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000380538901 357704195 /nfs/dbraw/zinc/70/41/95/357704195.db2.gz MTLUDQILFHBNTD-ZIAGYGMSSA-N 2 2 284.400 0.859 20 0 CCADLP COC(=O)C[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000380538901 357704201 /nfs/dbraw/zinc/70/42/01/357704201.db2.gz MTLUDQILFHBNTD-ZIAGYGMSSA-N 2 2 284.400 0.859 20 0 CCADLP COC(=O)C[C@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000380538901 357704207 /nfs/dbraw/zinc/70/42/07/357704207.db2.gz MTLUDQILFHBNTD-ZIAGYGMSSA-N 2 2 284.400 0.859 20 0 CCADLP COC(=O)C[C@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000380538901 357704213 /nfs/dbraw/zinc/70/42/13/357704213.db2.gz MTLUDQILFHBNTD-ZIAGYGMSSA-N 2 2 284.400 0.859 20 0 CCADLP C[C@H]1C[N@H+](CCO)CCN1Cc1cccc2[nH+]ccn21 ZINC000449785629 236051459 /nfs/dbraw/zinc/05/14/59/236051459.db2.gz HVOQQSQIOBZOFR-ZDUSSCGKSA-N 2 2 274.368 0.833 20 0 CCADLP C[C@H]1C[N@@H+](CCO)CCN1Cc1cccc2[nH+]ccn21 ZINC000449785629 236051461 /nfs/dbraw/zinc/05/14/61/236051461.db2.gz HVOQQSQIOBZOFR-ZDUSSCGKSA-N 2 2 274.368 0.833 20 0 CCADLP C[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000407996596 357858195 /nfs/dbraw/zinc/85/81/95/357858195.db2.gz REDSHGYBWWWEED-UHFFFAOYSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)Nc1cc(NC[C@H](C)O)[nH+]cn1 ZINC000294391199 199021540 /nfs/dbraw/zinc/02/15/40/199021540.db2.gz MUBZNKNZYCPOEY-NEPJUHHUSA-N 2 2 295.387 0.402 20 0 CCADLP COc1cc[nH+]c(CN2CC[N@H+](CCO)C[C@H]2C)c1 ZINC000452127324 236223168 /nfs/dbraw/zinc/22/31/68/236223168.db2.gz ZVBUKPPXLLLSQL-GFCCVEGCSA-N 2 2 265.357 0.589 20 0 CCADLP COc1cc[nH+]c(CN2CC[N@@H+](CCO)C[C@H]2C)c1 ZINC000452127324 236223171 /nfs/dbraw/zinc/22/31/71/236223171.db2.gz ZVBUKPPXLLLSQL-GFCCVEGCSA-N 2 2 265.357 0.589 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc[nH+]cc1C(N)=O ZINC000561359364 291127849 /nfs/dbraw/zinc/12/78/49/291127849.db2.gz YQKMLQJZUFMEKV-VXGBXAGGSA-N 2 2 290.367 0.480 20 0 CCADLP Cc1cc(NC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)cc[nH+]1 ZINC000455045863 236321503 /nfs/dbraw/zinc/32/15/03/236321503.db2.gz SCTZGUBGCDKRLJ-LBPRGKRZSA-N 2 2 278.356 0.342 20 0 CCADLP Cc1cc(NC(=O)N2CC[N@H+](CCO)C[C@@H]2C)cc[nH+]1 ZINC000455045863 236321505 /nfs/dbraw/zinc/32/15/05/236321505.db2.gz SCTZGUBGCDKRLJ-LBPRGKRZSA-N 2 2 278.356 0.342 20 0 CCADLP C[NH2+]CCC[N@H+](C)[C@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000420394267 358182040 /nfs/dbraw/zinc/18/20/40/358182040.db2.gz ZLLIVLULNCPLDF-SNVBAGLBSA-N 2 2 272.393 0.541 20 0 CCADLP C[NH2+]CCC[N@@H+](C)[C@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000420394267 358182046 /nfs/dbraw/zinc/18/20/46/358182046.db2.gz ZLLIVLULNCPLDF-SNVBAGLBSA-N 2 2 272.393 0.541 20 0 CCADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000423038214 358195906 /nfs/dbraw/zinc/19/59/06/358195906.db2.gz NZHCAMYGCNDZRA-RBSFLKMASA-N 3 2 269.433 0.953 20 0 CCADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000423038214 358195907 /nfs/dbraw/zinc/19/59/07/358195907.db2.gz NZHCAMYGCNDZRA-RBSFLKMASA-N 3 2 269.433 0.953 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC000430611780 358228015 /nfs/dbraw/zinc/22/80/15/358228015.db2.gz PMOAMJJDQALJIG-GHMZBOCLSA-N 2 2 282.388 0.295 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC000430611780 358228017 /nfs/dbraw/zinc/22/80/17/358228017.db2.gz PMOAMJJDQALJIG-GHMZBOCLSA-N 2 2 282.388 0.295 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC000430605887 358228587 /nfs/dbraw/zinc/22/85/87/358228587.db2.gz SWWDBWCCWIRVGZ-RYUDHWBXSA-N 2 2 284.404 0.541 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC000430605887 358228591 /nfs/dbraw/zinc/22/85/91/358228591.db2.gz SWWDBWCCWIRVGZ-RYUDHWBXSA-N 2 2 284.404 0.541 20 0 CCADLP COc1ccc(CC[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)cn1 ZINC000530221966 358382061 /nfs/dbraw/zinc/38/20/61/358382061.db2.gz QBWPKISPQJGRBL-TZMCWYRMSA-N 2 2 279.384 0.989 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3cc(CO)ccc3F)CCN2C1=O ZINC000530224438 358381334 /nfs/dbraw/zinc/38/13/34/358381334.db2.gz QJYBYMCMNKCCLJ-OCCSQVGLSA-N 2 2 293.342 0.062 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3cc(CO)ccc3F)CCN2C1=O ZINC000530224438 358381341 /nfs/dbraw/zinc/38/13/41/358381341.db2.gz QJYBYMCMNKCCLJ-OCCSQVGLSA-N 2 2 293.342 0.062 20 0 CCADLP Cc1cc(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)nc(C)n1 ZINC000567708020 358573988 /nfs/dbraw/zinc/57/39/88/358573988.db2.gz HLZMPRIBJKSERA-CQSZACIVSA-N 2 2 264.373 0.638 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+](CC2CC2)CC1)[NH+]1CC(C)C1 ZINC000567934740 358615348 /nfs/dbraw/zinc/61/53/48/358615348.db2.gz KVEXJCAXADSLDG-ZDUSSCGKSA-N 2 2 265.401 0.881 20 0 CCADLP COC[C@]1(C(=O)NC[C@H](C)Cn2cc[nH+]c2)CC[NH2+]C1 ZINC000567972614 358619849 /nfs/dbraw/zinc/61/98/49/358619849.db2.gz AHBKXINFRVPGDI-JSGCOSHPSA-N 2 2 280.372 0.262 20 0 CCADLP COCC[NH2+]C1CCN(Cc2c[nH+]cn2C)CC1 ZINC000568007537 358624909 /nfs/dbraw/zinc/62/49/09/358624909.db2.gz PYVNUMQYENBEOK-UHFFFAOYSA-N 2 2 252.362 0.621 20 0 CCADLP CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000568074838 358630423 /nfs/dbraw/zinc/63/04/23/358630423.db2.gz UXNWGGHMBGONHW-WUHRBBMRSA-N 2 2 258.362 0.147 20 0 CCADLP CN(C)C(=O)CCC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000568168802 358639552 /nfs/dbraw/zinc/63/95/52/358639552.db2.gz RYEKHZMLVWLQDI-OAHLLOKOSA-N 2 2 297.443 0.899 20 0 CCADLP CN(C)C(=O)CCC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000568168802 358639554 /nfs/dbraw/zinc/63/95/54/358639554.db2.gz RYEKHZMLVWLQDI-OAHLLOKOSA-N 2 2 297.443 0.899 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](n2cccn2)C1 ZINC000568178473 358641522 /nfs/dbraw/zinc/64/15/22/358641522.db2.gz PQCWGKAABPZDER-CHWSQXEVSA-N 2 2 252.362 0.443 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](n2cccn2)C1 ZINC000568178473 358641525 /nfs/dbraw/zinc/64/15/25/358641525.db2.gz PQCWGKAABPZDER-CHWSQXEVSA-N 2 2 252.362 0.443 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000568178473 358641528 /nfs/dbraw/zinc/64/15/28/358641528.db2.gz PQCWGKAABPZDER-CHWSQXEVSA-N 2 2 252.362 0.443 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000568178473 358641530 /nfs/dbraw/zinc/64/15/30/358641530.db2.gz PQCWGKAABPZDER-CHWSQXEVSA-N 2 2 252.362 0.443 20 0 CCADLP Cc1[nH+]cc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)n1C ZINC000568269767 358660736 /nfs/dbraw/zinc/66/07/36/358660736.db2.gz WZRMNJXHFYEZCW-CYBMUJFWSA-N 3 2 279.432 0.702 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCc1c[nH+]c(C)nc1N ZINC000568515525 358681994 /nfs/dbraw/zinc/68/19/94/358681994.db2.gz URUOMJMYYLQVQB-GFCCVEGCSA-N 2 2 277.372 0.688 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000569369387 358759077 /nfs/dbraw/zinc/75/90/77/358759077.db2.gz CWPYNEGRWUNYOQ-LBPRGKRZSA-N 2 2 253.390 0.929 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000569369387 358759078 /nfs/dbraw/zinc/75/90/78/358759078.db2.gz CWPYNEGRWUNYOQ-LBPRGKRZSA-N 2 2 253.390 0.929 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)NC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000568975893 358720524 /nfs/dbraw/zinc/72/05/24/358720524.db2.gz UYWATNDCXLWNCK-KGLIPLIRSA-N 2 2 298.431 0.396 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)NC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000568975893 358720530 /nfs/dbraw/zinc/72/05/30/358720530.db2.gz UYWATNDCXLWNCK-KGLIPLIRSA-N 2 2 298.431 0.396 20 0 CCADLP CCc1nc(NCC[N@@H+]2CCO[C@H](C)C2)cc(C)[nH+]1 ZINC000568979018 358720553 /nfs/dbraw/zinc/72/05/53/358720553.db2.gz GFHGDZBHYWHKNJ-GFCCVEGCSA-N 2 2 264.373 0.902 20 0 CCADLP CCc1nc(NCC[N@H+]2CCO[C@H](C)C2)cc(C)[nH+]1 ZINC000568979018 358720555 /nfs/dbraw/zinc/72/05/55/358720555.db2.gz GFHGDZBHYWHKNJ-GFCCVEGCSA-N 2 2 264.373 0.902 20 0 CCADLP [NH3+]C[C@@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C1CC1 ZINC000569215591 358743476 /nfs/dbraw/zinc/74/34/76/358743476.db2.gz JVRKYSUMGMNVEC-ZIAGYGMSSA-N 2 2 290.367 0.982 20 0 CCADLP C[NH2+][C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000569572915 358773978 /nfs/dbraw/zinc/77/39/78/358773978.db2.gz HAMKUZIWJNSQLF-LLVKDONJSA-N 2 2 286.339 0.486 20 0 CCADLP [NH3+]CC(F)(F)CC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000569587243 358776739 /nfs/dbraw/zinc/77/67/39/358776739.db2.gz BDQWFXPTJYWXLI-UHFFFAOYSA-N 2 2 268.267 0.935 20 0 CCADLP Cc1cc(NC(=O)c2ccn(CC[NH+](C)C)n2)cc[nH+]1 ZINC000569865421 358801528 /nfs/dbraw/zinc/80/15/28/358801528.db2.gz WUAIVVNFTWERBI-UHFFFAOYSA-N 2 2 273.340 0.822 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+][C@@H]2C[C@H]2C2CC2)C[C@H](C)O1 ZINC000569961474 358809055 /nfs/dbraw/zinc/80/90/55/358809055.db2.gz BPJSMXFPYKSUOC-FONWIUJUSA-N 2 2 268.401 0.845 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+][C@@H]2C[C@H]2C2CC2)C[C@H](C)O1 ZINC000569961474 358809057 /nfs/dbraw/zinc/80/90/57/358809057.db2.gz BPJSMXFPYKSUOC-FONWIUJUSA-N 2 2 268.401 0.845 20 0 CCADLP Cc1nc(N2CC[C@]3(C2)CCC[NH2+]C3)nc(N(C)C)[nH+]1 ZINC000573097925 358937189 /nfs/dbraw/zinc/93/71/89/358937189.db2.gz BOKLSDYISWRYOF-CQSZACIVSA-N 2 2 276.388 0.826 20 0 CCADLP Cc1nc(N(C)C)nc(N2CC[C@]3(C2)CCC[NH2+]C3)[nH+]1 ZINC000573097925 358937192 /nfs/dbraw/zinc/93/71/92/358937192.db2.gz BOKLSDYISWRYOF-CQSZACIVSA-N 2 2 276.388 0.826 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC(=O)N3CCCC[C@H]23)n1C ZINC000574053308 359023857 /nfs/dbraw/zinc/02/38/57/359023857.db2.gz CAQPAPFUKONFDI-CHWSQXEVSA-N 2 2 262.357 0.972 20 0 CCADLP CCNC(=O)CC[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000573739998 358995820 /nfs/dbraw/zinc/99/58/20/358995820.db2.gz DLXABSDUXZPJNT-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP CCNC(=O)CC[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000573739998 358995823 /nfs/dbraw/zinc/99/58/23/358995823.db2.gz DLXABSDUXZPJNT-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP COCCC[N@H+](C)CCNCc1c[nH+]c(C)n1C ZINC000579980382 359075429 /nfs/dbraw/zinc/07/54/29/359075429.db2.gz VPINUVKZMHZJLC-UHFFFAOYSA-N 2 2 254.378 0.786 20 0 CCADLP COCCC[N@@H+](C)CCNCc1c[nH+]c(C)n1C ZINC000579980382 359075435 /nfs/dbraw/zinc/07/54/35/359075435.db2.gz VPINUVKZMHZJLC-UHFFFAOYSA-N 2 2 254.378 0.786 20 0 CCADLP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000580894676 359106055 /nfs/dbraw/zinc/10/60/55/359106055.db2.gz LFDGDJYVHRNXBD-MGPQQGTHSA-N 2 2 283.416 0.457 20 0 CCADLP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000580894676 359106057 /nfs/dbraw/zinc/10/60/57/359106057.db2.gz LFDGDJYVHRNXBD-MGPQQGTHSA-N 2 2 283.416 0.457 20 0 CCADLP Cc1ccc([C@@H]([NH3+])C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)cc1 ZINC000580894562 359106173 /nfs/dbraw/zinc/10/61/73/359106173.db2.gz GENUUKPKNLNOCW-DZGCQCFKSA-N 2 2 291.395 0.832 20 0 CCADLP Cc1ccc([C@@H]([NH3+])C(=O)NCC[N@H+]2CCO[C@@H](C)C2)cc1 ZINC000580894562 359106176 /nfs/dbraw/zinc/10/61/76/359106176.db2.gz GENUUKPKNLNOCW-DZGCQCFKSA-N 2 2 291.395 0.832 20 0 CCADLP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000580894673 359106444 /nfs/dbraw/zinc/10/64/44/359106444.db2.gz LFDGDJYVHRNXBD-HZSPNIEDSA-N 2 2 283.416 0.457 20 0 CCADLP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000580894673 359106448 /nfs/dbraw/zinc/10/64/48/359106448.db2.gz LFDGDJYVHRNXBD-HZSPNIEDSA-N 2 2 283.416 0.457 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](CO)c1ccccc1C ZINC000580900623 359107585 /nfs/dbraw/zinc/10/75/85/359107585.db2.gz PAEZGBAUPGLGMA-UKRRQHHQSA-N 2 2 266.385 0.931 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](CO)c1ccccc1C ZINC000580900623 359107588 /nfs/dbraw/zinc/10/75/88/359107588.db2.gz PAEZGBAUPGLGMA-UKRRQHHQSA-N 2 2 266.385 0.931 20 0 CCADLP CSC[C@H](O)C[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000579849971 359056015 /nfs/dbraw/zinc/05/60/15/359056015.db2.gz JAVOBQKGFBDUID-GFCCVEGCSA-N 2 2 276.446 0.535 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@](O)(C(F)F)C1 ZINC000582368885 359139380 /nfs/dbraw/zinc/13/93/80/359139380.db2.gz UOEDLGOSHCLUIL-GXSJLCMTSA-N 2 2 252.305 0.001 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@](O)(C(F)F)C1 ZINC000582368885 359139383 /nfs/dbraw/zinc/13/93/83/359139383.db2.gz UOEDLGOSHCLUIL-GXSJLCMTSA-N 2 2 252.305 0.001 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000582368885 359139390 /nfs/dbraw/zinc/13/93/90/359139390.db2.gz UOEDLGOSHCLUIL-GXSJLCMTSA-N 2 2 252.305 0.001 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000582368885 359139393 /nfs/dbraw/zinc/13/93/93/359139393.db2.gz UOEDLGOSHCLUIL-GXSJLCMTSA-N 2 2 252.305 0.001 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@](O)(C(F)F)C1 ZINC000582368888 359139442 /nfs/dbraw/zinc/13/94/42/359139442.db2.gz UOEDLGOSHCLUIL-ONGXEEELSA-N 2 2 252.305 0.001 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@](O)(C(F)F)C1 ZINC000582368888 359139444 /nfs/dbraw/zinc/13/94/44/359139444.db2.gz UOEDLGOSHCLUIL-ONGXEEELSA-N 2 2 252.305 0.001 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000582368888 359139448 /nfs/dbraw/zinc/13/94/48/359139448.db2.gz UOEDLGOSHCLUIL-ONGXEEELSA-N 2 2 252.305 0.001 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000582368888 359139450 /nfs/dbraw/zinc/13/94/50/359139450.db2.gz UOEDLGOSHCLUIL-ONGXEEELSA-N 2 2 252.305 0.001 20 0 CCADLP OCC1([NH2+]CC2CC2)CC[NH+]([C@@H]2CCOC2)CC1 ZINC000584843841 359217456 /nfs/dbraw/zinc/21/74/56/359217456.db2.gz UJPQBGKFGLBZTC-CYBMUJFWSA-N 2 2 254.374 0.602 20 0 CCADLP COC(=O)c1cc(C[NH2+][C@@H]2CCC[N@H+](C)C2)cn1C ZINC000589169728 359364430 /nfs/dbraw/zinc/36/44/30/359364430.db2.gz NHRFWBWMTGAOJU-GFCCVEGCSA-N 2 2 265.357 0.996 20 0 CCADLP COC(=O)c1cc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)cn1C ZINC000589169728 359364434 /nfs/dbraw/zinc/36/44/34/359364434.db2.gz NHRFWBWMTGAOJU-GFCCVEGCSA-N 2 2 265.357 0.996 20 0 CCADLP C[NH+](C)C/C=C/C(=O)NCCCCn1cc[nH+]c1 ZINC000491885271 237010291 /nfs/dbraw/zinc/01/02/91/237010291.db2.gz OQOXLRAEYPHINW-AATRIKPKSA-N 2 2 250.346 0.897 20 0 CCADLP C[NH+](C)C/C=C/C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000491885274 237010931 /nfs/dbraw/zinc/01/09/31/237010931.db2.gz OQURBYVGENSOMX-ONEGZZNKSA-N 2 2 277.372 0.172 20 0 CCADLP CO[C@H](C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000562989833 291178597 /nfs/dbraw/zinc/17/85/97/291178597.db2.gz TYYVTTYLQVQFEK-LXTVHRRPSA-N 2 2 288.432 0.717 20 0 CCADLP CO[C@H](C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000562989833 291178600 /nfs/dbraw/zinc/17/86/00/291178600.db2.gz TYYVTTYLQVQFEK-LXTVHRRPSA-N 2 2 288.432 0.717 20 0 CCADLP C[C@H](NC(=O)N[C@@H]1CCC[N@H+](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000591571227 359599598 /nfs/dbraw/zinc/59/95/98/359599598.db2.gz FQNVRHDUQUNPDZ-MELADBBJSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](NC(=O)N[C@@H]1CCC[N@@H+](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000591571227 359599600 /nfs/dbraw/zinc/59/96/00/359599600.db2.gz FQNVRHDUQUNPDZ-MELADBBJSA-N 2 2 298.431 0.489 20 0 CCADLP COCC[NH+]1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000591642758 359624098 /nfs/dbraw/zinc/62/40/98/359624098.db2.gz KDSJTELKMXSSRC-UHFFFAOYSA-N 2 2 280.372 0.454 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000297254916 200126445 /nfs/dbraw/zinc/12/64/45/200126445.db2.gz AVWXIEVVCQFZBK-UHFFFAOYSA-N 2 2 280.372 0.419 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000297254916 200126447 /nfs/dbraw/zinc/12/64/47/200126447.db2.gz AVWXIEVVCQFZBK-UHFFFAOYSA-N 2 2 280.372 0.419 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000591884946 359676755 /nfs/dbraw/zinc/67/67/55/359676755.db2.gz LZAYWOJMBLNZTH-ZDUSSCGKSA-N 2 2 280.372 0.188 20 0 CCADLP O[C@H](Cn1cccn1)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591916148 359693709 /nfs/dbraw/zinc/69/37/09/359693709.db2.gz YKOFCLPJZOPKLJ-KGLIPLIRSA-N 2 2 275.356 0.778 20 0 CCADLP O[C@H](Cn1cccn1)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591916148 359693713 /nfs/dbraw/zinc/69/37/13/359693713.db2.gz YKOFCLPJZOPKLJ-KGLIPLIRSA-N 2 2 275.356 0.778 20 0 CCADLP C[C@H]([NH2+]CC[NH3+])[C@@H](c1ccccc1)N1CCOCC1 ZINC000423189209 299296515 /nfs/dbraw/zinc/29/65/15/299296515.db2.gz QNJXGGMXNUMOQO-ZFWWWQNUSA-N 2 2 263.385 0.997 20 0 CCADLP COC(=O)[C@@H]1C[NH2+]CCCN1Cc1c[nH+]c2ccccn12 ZINC000592435741 359840345 /nfs/dbraw/zinc/84/03/45/359840345.db2.gz WUQGVHLEODTOLP-ZDUSSCGKSA-N 2 2 288.351 0.671 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC000297669999 200257937 /nfs/dbraw/zinc/25/79/37/200257937.db2.gz VQQMGMYFAKLNLW-GFCCVEGCSA-N 2 2 280.372 0.371 20 0 CCADLP COCC[N@H+]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC000297669999 200257939 /nfs/dbraw/zinc/25/79/39/200257939.db2.gz VQQMGMYFAKLNLW-GFCCVEGCSA-N 2 2 280.372 0.371 20 0 CCADLP C[N@@H+]1CCN(C(=O)N2CCc3ccccc32)[C@@H](C[NH3+])C1 ZINC000563211930 291205991 /nfs/dbraw/zinc/20/59/91/291205991.db2.gz RDPMKXQGRAYOFS-ZDUSSCGKSA-N 2 2 274.368 0.744 20 0 CCADLP C[N@H+]1CCN(C(=O)N2CCc3ccccc32)[C@@H](C[NH3+])C1 ZINC000563211930 291205993 /nfs/dbraw/zinc/20/59/93/291205993.db2.gz RDPMKXQGRAYOFS-ZDUSSCGKSA-N 2 2 274.368 0.744 20 0 CCADLP C[NH+]1CCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CC1 ZINC000592540636 359879678 /nfs/dbraw/zinc/87/96/78/359879678.db2.gz CNPXNWUSAIOJER-NSHDSACASA-N 2 2 277.372 0.107 20 0 CCADLP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000423394545 299302387 /nfs/dbraw/zinc/30/23/87/299302387.db2.gz QHOMDQGYBCCPEB-QJPTWQEYSA-N 3 2 294.365 0.553 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC(CC[NH3+])CC1 ZINC000563270890 291211239 /nfs/dbraw/zinc/21/12/39/291211239.db2.gz DAEVHIQKBPZBBD-CYBMUJFWSA-N 2 2 298.431 0.478 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC(CC[NH3+])CC1 ZINC000563270890 291211241 /nfs/dbraw/zinc/21/12/41/291211241.db2.gz DAEVHIQKBPZBBD-CYBMUJFWSA-N 2 2 298.431 0.478 20 0 CCADLP COC(=O)C[N@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000563350820 291216121 /nfs/dbraw/zinc/21/61/21/291216121.db2.gz RDBFGJKGNLTYPO-UHFFFAOYSA-N 2 2 251.330 0.990 20 0 CCADLP COC(=O)C[N@@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000563350820 291216123 /nfs/dbraw/zinc/21/61/23/291216123.db2.gz RDBFGJKGNLTYPO-UHFFFAOYSA-N 2 2 251.330 0.990 20 0 CCADLP CNC(=O)CCC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000563353596 291215895 /nfs/dbraw/zinc/21/58/95/291215895.db2.gz DHMUWGNJRHDBFS-UHFFFAOYSA-N 2 2 265.361 0.054 20 0 CCADLP CN(C)C(=O)N1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000563358497 291216733 /nfs/dbraw/zinc/21/67/33/291216733.db2.gz YPQCOGOJEMVKHC-UHFFFAOYSA-N 2 2 279.388 0.652 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000563391313 291222144 /nfs/dbraw/zinc/22/21/44/291222144.db2.gz ONNDMIVAFHMULO-NEPJUHHUSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000563391313 291222145 /nfs/dbraw/zinc/22/21/45/291222145.db2.gz ONNDMIVAFHMULO-NEPJUHHUSA-N 2 2 280.372 0.113 20 0 CCADLP CSC[C@H](CCO)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000594495176 360323495 /nfs/dbraw/zinc/32/34/95/360323495.db2.gz MYUIOPKVLFIRTQ-UONOGXRCSA-N 2 2 288.457 0.943 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3nc4c(s3)CCC4)CCN2C1=O ZINC000594736408 360369152 /nfs/dbraw/zinc/36/91/52/360369152.db2.gz FXOBCGHJJHVRFT-ZJUUUORDSA-N 2 2 292.408 0.376 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3nc4c(s3)CCC4)CCN2C1=O ZINC000594736408 360369155 /nfs/dbraw/zinc/36/91/55/360369155.db2.gz FXOBCGHJJHVRFT-ZJUUUORDSA-N 2 2 292.408 0.376 20 0 CCADLP CCOc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)nc1 ZINC000594736678 360369936 /nfs/dbraw/zinc/36/99/36/360369936.db2.gz JUWZAIHGLMNSIC-JSGCOSHPSA-N 2 2 290.367 0.224 20 0 CCADLP CCOc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)nc1 ZINC000594736678 360369940 /nfs/dbraw/zinc/36/99/40/360369940.db2.gz JUWZAIHGLMNSIC-JSGCOSHPSA-N 2 2 290.367 0.224 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000594922022 360415415 /nfs/dbraw/zinc/41/54/15/360415415.db2.gz OEFMPCPQUCJSLZ-IGQOVBAYSA-N 2 2 284.400 0.742 20 0 CCADLP C[NH2+][C@@H](C)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000563413615 291226852 /nfs/dbraw/zinc/22/68/52/291226852.db2.gz QIBKHLHQADQPSN-ZETCQYMHSA-N 2 2 264.251 0.670 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000177669684 189062400 /nfs/dbraw/zinc/06/24/00/189062400.db2.gz QOSLAYNPDYWZSE-LBPRGKRZSA-N 2 2 274.324 0.281 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000177669684 189062401 /nfs/dbraw/zinc/06/24/01/189062401.db2.gz QOSLAYNPDYWZSE-LBPRGKRZSA-N 2 2 274.324 0.281 20 0 CCADLP CN(C)[C@H](C(=O)N1CC[C@H](C[NH+](C)C)C1)c1c[nH+]cn1C ZINC000684835288 545747243 /nfs/dbraw/zinc/74/72/43/545747243.db2.gz WIQPLWQIAJZXTI-OCCSQVGLSA-N 2 2 293.415 0.433 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000563450884 291231115 /nfs/dbraw/zinc/23/11/15/291231115.db2.gz JSXUMZTWKMTDAO-NSHDSACASA-N 2 2 265.361 0.941 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000563450884 291231117 /nfs/dbraw/zinc/23/11/17/291231117.db2.gz JSXUMZTWKMTDAO-NSHDSACASA-N 2 2 265.361 0.941 20 0 CCADLP COC[C@@]1(C(=O)OC)CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000595807182 360662190 /nfs/dbraw/zinc/66/21/90/360662190.db2.gz NRVXQRHPRPDBMB-CQSZACIVSA-N 2 2 281.356 0.617 20 0 CCADLP COC[C@@]1(C(=O)OC)CCC[N@H+]1CCc1c[nH+]cn1C ZINC000595807182 360662195 /nfs/dbraw/zinc/66/21/95/360662195.db2.gz NRVXQRHPRPDBMB-CQSZACIVSA-N 2 2 281.356 0.617 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000563529880 291235097 /nfs/dbraw/zinc/23/50/97/291235097.db2.gz KBBCBSCAUUVOQW-HZPDHXFCSA-N 2 2 277.412 0.425 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000563529880 291235100 /nfs/dbraw/zinc/23/51/00/291235100.db2.gz KBBCBSCAUUVOQW-HZPDHXFCSA-N 2 2 277.412 0.425 20 0 CCADLP CC(C)n1cc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cn1 ZINC000655933161 412707690 /nfs/dbraw/zinc/70/76/90/412707690.db2.gz APOKNUUJSDVAGI-GFCCVEGCSA-N 2 2 280.376 0.571 20 0 CCADLP CC(C)n1cc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cn1 ZINC000655933161 412707691 /nfs/dbraw/zinc/70/76/91/412707691.db2.gz APOKNUUJSDVAGI-GFCCVEGCSA-N 2 2 280.376 0.571 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C[C@H]1C ZINC000493519545 238189270 /nfs/dbraw/zinc/18/92/70/238189270.db2.gz JHKZTQYTUMSIFP-AAOUONPWSA-N 2 2 278.356 0.602 20 0 CCADLP COCC[N@H+]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)C[C@H]1C ZINC000493519545 238189275 /nfs/dbraw/zinc/18/92/75/238189275.db2.gz JHKZTQYTUMSIFP-AAOUONPWSA-N 2 2 278.356 0.602 20 0 CCADLP COC(=O)Cc1cc[nH+]c(N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000596168862 360820039 /nfs/dbraw/zinc/82/00/39/360820039.db2.gz YSRPUZWPTNILKU-AAEUAGOBSA-N 2 2 293.367 0.928 20 0 CCADLP COC(=O)Cc1cc[nH+]c(N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000596168862 360820044 /nfs/dbraw/zinc/82/00/44/360820044.db2.gz YSRPUZWPTNILKU-AAEUAGOBSA-N 2 2 293.367 0.928 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563711644 291247917 /nfs/dbraw/zinc/24/79/17/291247917.db2.gz ANZCRGWWWNBVPD-IAQYHMDHSA-N 2 2 294.399 0.439 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563711644 291247919 /nfs/dbraw/zinc/24/79/19/291247919.db2.gz ANZCRGWWWNBVPD-IAQYHMDHSA-N 2 2 294.399 0.439 20 0 CCADLP Cc1cc(NC[C@@](C)(O)C[NH+]2CCOCC2)nc[nH+]1 ZINC000301460400 201015699 /nfs/dbraw/zinc/01/56/99/201015699.db2.gz ZXWIQETURGYXIQ-CYBMUJFWSA-N 2 2 266.345 0.280 20 0 CCADLP CCCn1nccc1NC(=O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000631823278 370688422 /nfs/dbraw/zinc/68/84/22/370688422.db2.gz AHEUXRJNOTZNPS-NEPJUHHUSA-N 2 2 279.388 0.901 20 0 CCADLP CCCn1nccc1NC(=O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000631823278 370688426 /nfs/dbraw/zinc/68/84/26/370688426.db2.gz AHEUXRJNOTZNPS-NEPJUHHUSA-N 2 2 279.388 0.901 20 0 CCADLP C(C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000564458295 291281094 /nfs/dbraw/zinc/28/10/94/291281094.db2.gz QZWHIZNTHVDUOV-LSDHHAIUSA-N 3 2 267.417 0.640 20 0 CCADLP C(C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000564458295 291281097 /nfs/dbraw/zinc/28/10/97/291281097.db2.gz QZWHIZNTHVDUOV-LSDHHAIUSA-N 3 2 267.417 0.640 20 0 CCADLP OCCC[N@@H+]1CCC[C@H]([NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC000564453788 291280789 /nfs/dbraw/zinc/28/07/89/291280789.db2.gz ROUPSABNEDNJLG-WDEREUQCSA-N 2 2 284.322 0.736 20 0 CCADLP OCCC[N@H+]1CCC[C@H]([NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC000564453788 291280790 /nfs/dbraw/zinc/28/07/90/291280790.db2.gz ROUPSABNEDNJLG-WDEREUQCSA-N 2 2 284.322 0.736 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000599313536 361648240 /nfs/dbraw/zinc/64/82/40/361648240.db2.gz CRTIKGCPRAFURV-AVGNSLFASA-N 2 2 272.389 0.715 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000599313536 361648244 /nfs/dbraw/zinc/64/82/44/361648244.db2.gz CRTIKGCPRAFURV-AVGNSLFASA-N 2 2 272.389 0.715 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000599313536 361648248 /nfs/dbraw/zinc/64/82/48/361648248.db2.gz CRTIKGCPRAFURV-AVGNSLFASA-N 2 2 272.389 0.715 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000599313536 361648250 /nfs/dbraw/zinc/64/82/50/361648250.db2.gz CRTIKGCPRAFURV-AVGNSLFASA-N 2 2 272.389 0.715 20 0 CCADLP COC(=O)c1cnc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cn1 ZINC000599292274 361635828 /nfs/dbraw/zinc/63/58/28/361635828.db2.gz ADNHNANDCRVTBG-LLVKDONJSA-N 2 2 278.356 0.647 20 0 CCADLP COC(=O)c1cnc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cn1 ZINC000599292274 361635835 /nfs/dbraw/zinc/63/58/35/361635835.db2.gz ADNHNANDCRVTBG-LLVKDONJSA-N 2 2 278.356 0.647 20 0 CCADLP CC1(C)CN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC[NH2+]1 ZINC000611890878 363802293 /nfs/dbraw/zinc/80/22/93/363802293.db2.gz AVRLCYFXBJBLCS-JTQLQIEISA-N 2 2 262.357 0.725 20 0 CCADLP CC1(C)CN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC[NH2+]1 ZINC000611890878 363802298 /nfs/dbraw/zinc/80/22/98/363802298.db2.gz AVRLCYFXBJBLCS-JTQLQIEISA-N 2 2 262.357 0.725 20 0 CCADLP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2CCC[C@@](C)(F)C2)C1=O ZINC000564632323 291289396 /nfs/dbraw/zinc/28/93/96/291289396.db2.gz XERJXPFYQGAHJZ-BXUZGUMPSA-N 2 2 285.363 0.500 20 0 CCADLP C[NH+](C)CCN1C(=O)C[C@@H]([N@H+]2CCC[C@@](C)(F)C2)C1=O ZINC000564632323 291289399 /nfs/dbraw/zinc/28/93/99/291289399.db2.gz XERJXPFYQGAHJZ-BXUZGUMPSA-N 2 2 285.363 0.500 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612908865 364041692 /nfs/dbraw/zinc/04/16/92/364041692.db2.gz JMOLCBTUCQWBDZ-CYBMUJFWSA-N 2 2 264.329 0.641 20 0 CCADLP O=C(NCCn1cc[nH+]c1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612965032 364056338 /nfs/dbraw/zinc/05/63/38/364056338.db2.gz WSFXLELLPCLJOD-LLVKDONJSA-N 2 2 263.345 0.324 20 0 CCADLP C[C@@H]1C[N@H+](CCS(=O)(=O)c2ccccn2)C[C@H]1C[NH3+] ZINC000631837141 370701886 /nfs/dbraw/zinc/70/18/86/370701886.db2.gz NHNFYWLYDOVBFS-VXGBXAGGSA-N 2 2 283.397 0.382 20 0 CCADLP C[C@@H]1C[N@@H+](CCS(=O)(=O)c2ccccn2)C[C@H]1C[NH3+] ZINC000631837141 370701888 /nfs/dbraw/zinc/70/18/88/370701888.db2.gz NHNFYWLYDOVBFS-VXGBXAGGSA-N 2 2 283.397 0.382 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2CCCCC[C@H]([NH3+])C2)CCO1 ZINC000631835798 370701918 /nfs/dbraw/zinc/70/19/18/370701918.db2.gz XYIOWJQNLIRSMH-KGLIPLIRSA-N 2 2 255.406 0.910 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2CCCCC[C@H]([NH3+])C2)CCO1 ZINC000631835798 370701921 /nfs/dbraw/zinc/70/19/21/370701921.db2.gz XYIOWJQNLIRSMH-KGLIPLIRSA-N 2 2 255.406 0.910 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)N(C)c2nccs2)C[C@H]1C[NH3+] ZINC000631839872 370705865 /nfs/dbraw/zinc/70/58/65/370705865.db2.gz LXDWJUCXDWNRMD-NXEZZACHSA-N 2 2 268.386 0.633 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)c2nccs2)C[C@H]1C[NH3+] ZINC000631839872 370705869 /nfs/dbraw/zinc/70/58/69/370705869.db2.gz LXDWJUCXDWNRMD-NXEZZACHSA-N 2 2 268.386 0.633 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OCO3)C[C@H]1C[NH3+] ZINC000631843378 370708126 /nfs/dbraw/zinc/70/81/26/370708126.db2.gz NBULXCZVTDZLGC-GHMZBOCLSA-N 2 2 291.351 0.880 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OCO3)C[C@H]1C[NH3+] ZINC000631843378 370708129 /nfs/dbraw/zinc/70/81/29/370708129.db2.gz NBULXCZVTDZLGC-GHMZBOCLSA-N 2 2 291.351 0.880 20 0 CCADLP CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631863743 370723788 /nfs/dbraw/zinc/72/37/88/370723788.db2.gz DSBSMKSZKZGXMV-VXGBXAGGSA-N 2 2 271.405 0.336 20 0 CCADLP C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631866101 370725900 /nfs/dbraw/zinc/72/59/00/370725900.db2.gz LUQWCJBOEYUZAT-ZDUSSCGKSA-N 2 2 297.443 0.870 20 0 CCADLP CN(CC(F)(F)F)C(=O)C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631868761 370728121 /nfs/dbraw/zinc/72/81/21/370728121.db2.gz ONNXSAOZXGHYPV-KOLCDFICSA-N 2 2 279.306 0.739 20 0 CCADLP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)NC1CCOCC1 ZINC000631885828 370736402 /nfs/dbraw/zinc/73/64/02/370736402.db2.gz BOKOTUDQYIVHAI-GXTWGEPZSA-N 2 2 281.400 0.356 20 0 CCADLP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)NC1CCOCC1 ZINC000631885828 370736406 /nfs/dbraw/zinc/73/64/06/370736406.db2.gz BOKOTUDQYIVHAI-GXTWGEPZSA-N 2 2 281.400 0.356 20 0 CCADLP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)NC1CCOCC1 ZINC000631885829 370736471 /nfs/dbraw/zinc/73/64/71/370736471.db2.gz BOKOTUDQYIVHAI-JSGCOSHPSA-N 2 2 281.400 0.356 20 0 CCADLP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)NC1CCOCC1 ZINC000631885829 370736475 /nfs/dbraw/zinc/73/64/75/370736475.db2.gz BOKOTUDQYIVHAI-JSGCOSHPSA-N 2 2 281.400 0.356 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C[N@@H+]1C1CC1 ZINC000564850665 291307110 /nfs/dbraw/zinc/30/71/10/291307110.db2.gz XQQYZQZBIHOPOH-BZPMIXESSA-N 2 2 264.373 0.459 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C[N@H+]1C1CC1 ZINC000564850665 291307112 /nfs/dbraw/zinc/30/71/12/291307112.db2.gz XQQYZQZBIHOPOH-BZPMIXESSA-N 2 2 264.373 0.459 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]CC1(O)CCCC1 ZINC000564845634 291306044 /nfs/dbraw/zinc/30/60/44/291306044.db2.gz ZRBAGYIILBBGGD-ZDUSSCGKSA-N 2 2 256.390 0.992 20 0 CCADLP COCC[N@H+]1CCC[C@H]1C[NH2+]CC1(O)CCCC1 ZINC000564845634 291306047 /nfs/dbraw/zinc/30/60/47/291306047.db2.gz ZRBAGYIILBBGGD-ZDUSSCGKSA-N 2 2 256.390 0.992 20 0 CCADLP CC(C)[C@H]1CN(C(=O)C2([NH+](C)C)CC2)CC[N@@H+]1C ZINC000613968342 364451411 /nfs/dbraw/zinc/45/14/11/364451411.db2.gz PUFPZPNZNBLVMQ-GFCCVEGCSA-N 2 2 253.390 0.879 20 0 CCADLP CC(C)[C@H]1CN(C(=O)C2([NH+](C)C)CC2)CC[N@H+]1C ZINC000613968342 364451415 /nfs/dbraw/zinc/45/14/15/364451415.db2.gz PUFPZPNZNBLVMQ-GFCCVEGCSA-N 2 2 253.390 0.879 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH+]3CCC3)[C@@H](F)C2)C1 ZINC000614094821 364501671 /nfs/dbraw/zinc/50/16/71/364501671.db2.gz QCEDSXIPEAVUNZ-MJBXVCDLSA-N 2 2 299.390 0.352 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH+]3CCC3)[C@@H](F)C2)C1 ZINC000614094821 364501677 /nfs/dbraw/zinc/50/16/77/364501677.db2.gz QCEDSXIPEAVUNZ-MJBXVCDLSA-N 2 2 299.390 0.352 20 0 CCADLP [NH3+]CCC[NH2+][C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621777854 366863537 /nfs/dbraw/zinc/86/35/37/366863537.db2.gz HYOHFKNDNQNEGD-GFCCVEGCSA-N 2 2 254.355 0.595 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]([NH3+])c2cscn2)C[C@@H]1C ZINC000564924193 291317069 /nfs/dbraw/zinc/31/70/69/291317069.db2.gz JCWQEDPBFPRVIU-NHCYSSNCSA-N 2 2 298.412 0.056 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]([NH3+])c2cscn2)C[C@@H]1C ZINC000564924193 291317070 /nfs/dbraw/zinc/31/70/70/291317070.db2.gz JCWQEDPBFPRVIU-NHCYSSNCSA-N 2 2 298.412 0.056 20 0 CCADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCCN1CCOCC1)C2 ZINC000621784188 366866399 /nfs/dbraw/zinc/86/63/99/366866399.db2.gz LDWPARUWDSDBQZ-KGLIPLIRSA-N 2 2 253.390 0.522 20 0 CCADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCCN1CCOCC1)C2 ZINC000621784188 366866403 /nfs/dbraw/zinc/86/64/03/366866403.db2.gz LDWPARUWDSDBQZ-KGLIPLIRSA-N 2 2 253.390 0.522 20 0 CCADLP [NH3+][C@]12CCC[C@@H]1CN(CCC[NH+]1CCOCC1)C2 ZINC000621784188 366866406 /nfs/dbraw/zinc/86/64/06/366866406.db2.gz LDWPARUWDSDBQZ-KGLIPLIRSA-N 2 2 253.390 0.522 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[N@H+]1CC=CCC1 ZINC000614261004 364551606 /nfs/dbraw/zinc/55/16/06/364551606.db2.gz RGZKBOUEMMRKOJ-CHWSQXEVSA-N 2 2 274.368 0.902 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[N@@H+]1CC=CCC1 ZINC000614261004 364551612 /nfs/dbraw/zinc/55/16/12/364551612.db2.gz RGZKBOUEMMRKOJ-CHWSQXEVSA-N 2 2 274.368 0.902 20 0 CCADLP CC(C)[C@H](C(=O)N[C@H](C)C[NH+]1CCN(C)CC1)[C@@H](C)[NH3+] ZINC000564922532 291316424 /nfs/dbraw/zinc/31/64/24/291316424.db2.gz VFEGMVGYIGJDLX-MCIONIFRSA-N 2 2 284.448 0.358 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000335637755 212353424 /nfs/dbraw/zinc/35/34/24/212353424.db2.gz IAUWBQXJUDCXAF-GHMZBOCLSA-N 2 2 265.361 0.795 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000615141846 364860916 /nfs/dbraw/zinc/86/09/16/364860916.db2.gz RKDJRUWRYYMCLY-UHFFFAOYSA-N 2 2 278.356 0.051 20 0 CCADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000616154217 365194740 /nfs/dbraw/zinc/19/47/40/365194740.db2.gz DVQRVZICYGJZKZ-JHJVBQTASA-N 2 2 292.383 0.049 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000616154217 365194746 /nfs/dbraw/zinc/19/47/46/365194746.db2.gz DVQRVZICYGJZKZ-JHJVBQTASA-N 2 2 292.383 0.049 20 0 CCADLP COCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)c2c[nH]c[nH+]2)C1 ZINC000616408003 365311653 /nfs/dbraw/zinc/31/16/53/365311653.db2.gz PFLGMMYSLMATJU-GFCCVEGCSA-N 2 2 294.399 0.914 20 0 CCADLP COCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)c2c[nH]c[nH+]2)C1 ZINC000616408003 365311656 /nfs/dbraw/zinc/31/16/56/365311656.db2.gz PFLGMMYSLMATJU-GFCCVEGCSA-N 2 2 294.399 0.914 20 0 CCADLP COCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000616408003 365311658 /nfs/dbraw/zinc/31/16/58/365311658.db2.gz PFLGMMYSLMATJU-GFCCVEGCSA-N 2 2 294.399 0.914 20 0 CCADLP COCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000616408003 365311662 /nfs/dbraw/zinc/31/16/62/365311662.db2.gz PFLGMMYSLMATJU-GFCCVEGCSA-N 2 2 294.399 0.914 20 0 CCADLP COCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)c2c[nH]c[nH+]2)C1 ZINC000616408004 365312173 /nfs/dbraw/zinc/31/21/73/365312173.db2.gz PFLGMMYSLMATJU-LBPRGKRZSA-N 2 2 294.399 0.914 20 0 CCADLP COCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)c2c[nH]c[nH+]2)C1 ZINC000616408004 365312181 /nfs/dbraw/zinc/31/21/81/365312181.db2.gz PFLGMMYSLMATJU-LBPRGKRZSA-N 2 2 294.399 0.914 20 0 CCADLP COCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000616408004 365312185 /nfs/dbraw/zinc/31/21/85/365312185.db2.gz PFLGMMYSLMATJU-LBPRGKRZSA-N 2 2 294.399 0.914 20 0 CCADLP COCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000616408004 365312190 /nfs/dbraw/zinc/31/21/90/365312190.db2.gz PFLGMMYSLMATJU-LBPRGKRZSA-N 2 2 294.399 0.914 20 0 CCADLP CCNC(=O)C[N@@H+]1CCCN(c2nc(C)[nH+]cc2C)CC1 ZINC000565222770 291363485 /nfs/dbraw/zinc/36/34/85/291363485.db2.gz RCMWRHKTKAGAOV-UHFFFAOYSA-N 2 2 291.399 0.742 20 0 CCADLP CCNC(=O)C[N@H+]1CCCN(c2nc(C)[nH+]cc2C)CC1 ZINC000565222770 291363486 /nfs/dbraw/zinc/36/34/86/291363486.db2.gz RCMWRHKTKAGAOV-UHFFFAOYSA-N 2 2 291.399 0.742 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000565248568 291366796 /nfs/dbraw/zinc/36/67/96/291366796.db2.gz ADTOXRMIIFHFAS-JTQLQIEISA-N 2 2 289.339 0.245 20 0 CCADLP C[NH+](C)C1CC(NC(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000622009914 366978770 /nfs/dbraw/zinc/97/87/70/366978770.db2.gz OFLQSAALHTZDED-UHFFFAOYSA-N 2 2 286.339 0.485 20 0 CCADLP CN(C(=O)[C@H]1COCC[N@@H+]1C1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000565303153 291370512 /nfs/dbraw/zinc/37/05/12/291370512.db2.gz RNRIYFWWNXDZJP-ZIAGYGMSSA-N 2 2 281.400 0.450 20 0 CCADLP CN(C(=O)[C@H]1COCC[N@H+]1C1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000565303153 291370514 /nfs/dbraw/zinc/37/05/14/291370514.db2.gz RNRIYFWWNXDZJP-ZIAGYGMSSA-N 2 2 281.400 0.450 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000622083332 367014423 /nfs/dbraw/zinc/01/44/23/367014423.db2.gz BSZQWMKJVUEPBH-OLZOCXBDSA-N 2 2 291.399 0.470 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000622083332 367014429 /nfs/dbraw/zinc/01/44/29/367014429.db2.gz BSZQWMKJVUEPBH-OLZOCXBDSA-N 2 2 291.399 0.470 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000622083331 367015055 /nfs/dbraw/zinc/01/50/55/367015055.db2.gz BSZQWMKJVUEPBH-CHWSQXEVSA-N 2 2 291.399 0.470 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000622083331 367015058 /nfs/dbraw/zinc/01/50/58/367015058.db2.gz BSZQWMKJVUEPBH-CHWSQXEVSA-N 2 2 291.399 0.470 20 0 CCADLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335559632 212266266 /nfs/dbraw/zinc/26/62/66/212266266.db2.gz QMNDBISIZNEQGI-NEPJUHHUSA-N 2 2 274.368 0.798 20 0 CCADLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335559632 212266267 /nfs/dbraw/zinc/26/62/67/212266267.db2.gz QMNDBISIZNEQGI-NEPJUHHUSA-N 2 2 274.368 0.798 20 0 CCADLP C[N@H+]1CC=C(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000335553229 212257549 /nfs/dbraw/zinc/25/75/49/212257549.db2.gz KBFGDFUNSYMJLA-ZDUSSCGKSA-N 2 2 274.368 0.824 20 0 CCADLP C[N@@H+]1CC=C(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000335553229 212257553 /nfs/dbraw/zinc/25/75/53/212257553.db2.gz KBFGDFUNSYMJLA-ZDUSSCGKSA-N 2 2 274.368 0.824 20 0 CCADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)CC(F)(F)F ZINC000566231958 291380574 /nfs/dbraw/zinc/38/05/74/291380574.db2.gz WIJOTZSBUOYLKK-WDEREUQCSA-N 2 2 284.322 0.736 20 0 CCADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)CC(F)(F)F ZINC000566231958 291380576 /nfs/dbraw/zinc/38/05/76/291380576.db2.gz WIJOTZSBUOYLKK-WDEREUQCSA-N 2 2 284.322 0.736 20 0 CCADLP CC[C@H](C)[C@H](O)C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000566234610 291381146 /nfs/dbraw/zinc/38/11/46/291381146.db2.gz RSPZFUWGDXWUEZ-VQJWOFKYSA-N 2 2 288.432 0.453 20 0 CCADLP CC[C@H](C)[C@H](O)C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000566234610 291381148 /nfs/dbraw/zinc/38/11/48/291381148.db2.gz RSPZFUWGDXWUEZ-VQJWOFKYSA-N 2 2 288.432 0.453 20 0 CCADLP CC(C)[C@H](C(=O)N[C@H]1CCn2c[nH+]cc2C1)[NH+](C)C ZINC000623305232 367527179 /nfs/dbraw/zinc/52/71/79/367527179.db2.gz OCZGCMLIZSXYSV-WCQYABFASA-N 2 2 264.373 0.900 20 0 CCADLP C[N@H+](CC(=O)N[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CCSC1 ZINC000623306643 367527489 /nfs/dbraw/zinc/52/74/89/367527489.db2.gz RJQCVNFUPJEYDA-NEPJUHHUSA-N 2 2 294.424 0.751 20 0 CCADLP C[N@@H+](CC(=O)N[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CCSC1 ZINC000623306643 367527492 /nfs/dbraw/zinc/52/74/92/367527492.db2.gz RJQCVNFUPJEYDA-NEPJUHHUSA-N 2 2 294.424 0.751 20 0 CCADLP C[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000623461260 367566671 /nfs/dbraw/zinc/56/66/71/367566671.db2.gz DVBFAFGYIXRTDC-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000623461260 367566676 /nfs/dbraw/zinc/56/66/76/367566676.db2.gz DVBFAFGYIXRTDC-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H]1CCCC[NH+]1CCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623461260 367566684 /nfs/dbraw/zinc/56/66/84/367566684.db2.gz DVBFAFGYIXRTDC-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H]1CCCC[NH+]1CCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623461260 367566690 /nfs/dbraw/zinc/56/66/90/367566690.db2.gz DVBFAFGYIXRTDC-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CC(C)[C@@H](C(=O)N[C@H]1Cc2c[nH+]cn2C1)[NH+](C)C ZINC000623264953 367504114 /nfs/dbraw/zinc/50/41/14/367504114.db2.gz XRMABVLANBYHKZ-JQWIXIFHSA-N 2 2 250.346 0.510 20 0 CCADLP CC1CC[NH+](CC(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1 ZINC000623264916 367504365 /nfs/dbraw/zinc/50/43/65/367504365.db2.gz WTDWPCOFQSPTIR-LBPRGKRZSA-N 2 2 262.357 0.656 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1COCC[NH+]1C ZINC000623598145 367601829 /nfs/dbraw/zinc/60/18/29/367601829.db2.gz RIRGZTILPGZCAM-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1COCC[NH+]1C ZINC000623598145 367601833 /nfs/dbraw/zinc/60/18/33/367601833.db2.gz RIRGZTILPGZCAM-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623598145 367601836 /nfs/dbraw/zinc/60/18/36/367601836.db2.gz RIRGZTILPGZCAM-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623598145 367601839 /nfs/dbraw/zinc/60/18/39/367601839.db2.gz RIRGZTILPGZCAM-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC3COC3)C2)CC1 ZINC000623638700 367613318 /nfs/dbraw/zinc/61/33/18/367613318.db2.gz PCXYPHJUAOHFFX-ZDUSSCGKSA-N 2 2 296.415 0.101 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC3COC3)C2)CC1 ZINC000623638700 367613328 /nfs/dbraw/zinc/61/33/28/367613328.db2.gz PCXYPHJUAOHFFX-ZDUSSCGKSA-N 2 2 296.415 0.101 20 0 CCADLP C[NH+]1CCC(CCNC(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000623720600 367634528 /nfs/dbraw/zinc/63/45/28/367634528.db2.gz PWZDVMBLRVWHEI-CQSZACIVSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH+]1CCC(CCNC(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000623720600 367634532 /nfs/dbraw/zinc/63/45/32/367634532.db2.gz PWZDVMBLRVWHEI-CQSZACIVSA-N 2 2 298.431 0.348 20 0 CCADLP OCC[NH+]1CCN(c2nc3ccccc3n3c[nH+]cc23)CC1 ZINC000623791762 367658759 /nfs/dbraw/zinc/65/87/59/367658759.db2.gz VQUQMWUCFSTSTI-UHFFFAOYSA-N 2 2 297.362 0.997 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+][C@H](CO)c2ccnn2C)[C@@H](C)C1 ZINC000624017690 367726840 /nfs/dbraw/zinc/72/68/40/367726840.db2.gz CRSMCZXVUUSKGC-RWMBFGLXSA-N 2 2 266.389 0.773 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+][C@H](CO)c2ccnn2C)[C@@H](C)C1 ZINC000624017690 367726849 /nfs/dbraw/zinc/72/68/49/367726849.db2.gz CRSMCZXVUUSKGC-RWMBFGLXSA-N 2 2 266.389 0.773 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H]1COCC[NH+]1C ZINC000624087351 367749273 /nfs/dbraw/zinc/74/92/73/367749273.db2.gz SFMDYAWWYRGHRN-OLZOCXBDSA-N 2 2 286.420 0.345 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@H]1COCC[NH+]1C ZINC000624087351 367749281 /nfs/dbraw/zinc/74/92/81/367749281.db2.gz SFMDYAWWYRGHRN-OLZOCXBDSA-N 2 2 286.420 0.345 20 0 CCADLP CC(C)[NH+](C)C[C@@H](C)NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624087351 367749289 /nfs/dbraw/zinc/74/92/89/367749289.db2.gz SFMDYAWWYRGHRN-OLZOCXBDSA-N 2 2 286.420 0.345 20 0 CCADLP CC(C)[NH+](C)C[C@@H](C)NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000624087351 367749294 /nfs/dbraw/zinc/74/92/94/367749294.db2.gz SFMDYAWWYRGHRN-OLZOCXBDSA-N 2 2 286.420 0.345 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCn2nccc21 ZINC000624086304 367750035 /nfs/dbraw/zinc/75/00/35/367750035.db2.gz ALJSYCJUMNYBRD-JSGCOSHPSA-N 2 2 291.399 0.647 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCn2nccc21 ZINC000624086304 367750039 /nfs/dbraw/zinc/75/00/39/367750039.db2.gz ALJSYCJUMNYBRD-JSGCOSHPSA-N 2 2 291.399 0.647 20 0 CCADLP CCN(CC)C(=O)C[C@H](C)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624225900 367795078 /nfs/dbraw/zinc/79/50/78/367795078.db2.gz DSSIQDPXJPRANN-QWHCGFSZSA-N 2 2 271.405 0.290 20 0 CCADLP CCN(CC)C(=O)C[C@H](C)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624225900 367795084 /nfs/dbraw/zinc/79/50/84/367795084.db2.gz DSSIQDPXJPRANN-QWHCGFSZSA-N 2 2 271.405 0.290 20 0 CCADLP Cc1cc(NCC[N@@H+]2CC[C@H](O)C2)nc(C2CC2)[nH+]1 ZINC000624775512 367989704 /nfs/dbraw/zinc/98/97/04/367989704.db2.gz YFYJULWVACIDBZ-LBPRGKRZSA-N 2 2 262.357 0.563 20 0 CCADLP Cc1cc(NCC[N@H+]2CC[C@H](O)C2)nc(C2CC2)[nH+]1 ZINC000624775512 367989708 /nfs/dbraw/zinc/98/97/08/367989708.db2.gz YFYJULWVACIDBZ-LBPRGKRZSA-N 2 2 262.357 0.563 20 0 CCADLP Cn1cc(CC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)nn1 ZINC000625255950 368119957 /nfs/dbraw/zinc/11/99/57/368119957.db2.gz WFDCQTHCCMAGQC-LLVKDONJSA-N 2 2 260.345 0.960 20 0 CCADLP Cn1cc(CC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)nn1 ZINC000625255950 368119960 /nfs/dbraw/zinc/11/99/60/368119960.db2.gz WFDCQTHCCMAGQC-LLVKDONJSA-N 2 2 260.345 0.960 20 0 CCADLP Cn1cc(CC[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)nn1 ZINC000625399997 368180216 /nfs/dbraw/zinc/18/02/16/368180216.db2.gz GBIJRIDGGFORCR-AWEZNQCLSA-N 2 2 293.415 0.402 20 0 CCADLP COc1c(N)[nH+]cnc1N1CCOC2(CC[NH+](C)CC2)C1 ZINC000656203417 412766359 /nfs/dbraw/zinc/76/63/59/412766359.db2.gz IKADZTBRVHJHNS-UHFFFAOYSA-N 2 2 293.371 0.368 20 0 CCADLP COc1c(N)nc[nH+]c1N1CCOC2(CC[NH+](C)CC2)C1 ZINC000656203417 412766364 /nfs/dbraw/zinc/76/63/64/412766364.db2.gz IKADZTBRVHJHNS-UHFFFAOYSA-N 2 2 293.371 0.368 20 0 CCADLP Cc1cnn(CC[NH+]2CCC([NH+]3CCOCC3)CC2)c1 ZINC000625544953 368237952 /nfs/dbraw/zinc/23/79/52/368237952.db2.gz HXSSRLYYMPQTTA-UHFFFAOYSA-N 2 2 278.400 0.988 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(c2nccnn2)CC1 ZINC000625642119 368282818 /nfs/dbraw/zinc/28/28/18/368282818.db2.gz KQCQOPHGIQJCFS-ZDUSSCGKSA-N 2 2 276.388 0.478 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(c2nccnn2)CC1 ZINC000625642119 368282822 /nfs/dbraw/zinc/28/28/22/368282822.db2.gz KQCQOPHGIQJCFS-ZDUSSCGKSA-N 2 2 276.388 0.478 20 0 CCADLP C[NH+](C)C1(CNC(=O)CCn2cc[nH+]c2)CCC1 ZINC000275964800 193175991 /nfs/dbraw/zinc/17/59/91/193175991.db2.gz LCHHMUFLQXZANJ-UHFFFAOYSA-N 2 2 250.346 0.874 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)Nc1cccc(C[NH3+])c1 ZINC000625894602 368360195 /nfs/dbraw/zinc/36/01/95/368360195.db2.gz RESRNBZYMCRFMT-CYBMUJFWSA-N 2 2 278.356 0.597 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)Nc1cccc(C[NH3+])c1 ZINC000625894602 368360198 /nfs/dbraw/zinc/36/01/98/368360198.db2.gz RESRNBZYMCRFMT-CYBMUJFWSA-N 2 2 278.356 0.597 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000626015174 368395628 /nfs/dbraw/zinc/39/56/28/368395628.db2.gz LRMAZZNPLPAZBH-RRFJBIMHSA-N 2 2 286.416 0.020 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000626015174 368395632 /nfs/dbraw/zinc/39/56/32/368395632.db2.gz LRMAZZNPLPAZBH-RRFJBIMHSA-N 2 2 286.416 0.020 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000626015174 368395636 /nfs/dbraw/zinc/39/56/36/368395636.db2.gz LRMAZZNPLPAZBH-RRFJBIMHSA-N 2 2 286.416 0.020 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000626015174 368395639 /nfs/dbraw/zinc/39/56/39/368395639.db2.gz LRMAZZNPLPAZBH-RRFJBIMHSA-N 2 2 286.416 0.020 20 0 CCADLP CCC1([NH+](C)C)CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000640017693 376192912 /nfs/dbraw/zinc/19/29/12/376192912.db2.gz IZNWTNOLAWAXPD-UHFFFAOYSA-N 2 2 282.388 0.344 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CCC(N)=O)CC1 ZINC000330600431 203022789 /nfs/dbraw/zinc/02/27/89/203022789.db2.gz CULAQLHCDVFTCG-LLVKDONJSA-N 2 2 270.377 0.396 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CCC(N)=O)CC1 ZINC000330600431 203022791 /nfs/dbraw/zinc/02/27/91/203022791.db2.gz CULAQLHCDVFTCG-LLVKDONJSA-N 2 2 270.377 0.396 20 0 CCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000627003340 368729144 /nfs/dbraw/zinc/72/91/44/368729144.db2.gz MZSCJELUHIFJHX-MELADBBJSA-N 2 2 298.431 0.345 20 0 CCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000627003340 368729146 /nfs/dbraw/zinc/72/91/46/368729146.db2.gz MZSCJELUHIFJHX-MELADBBJSA-N 2 2 298.431 0.345 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000627074486 368771540 /nfs/dbraw/zinc/77/15/40/368771540.db2.gz JOTVCXQHZPLIAR-ZIAGYGMSSA-N 2 2 298.431 0.524 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000627074486 368771545 /nfs/dbraw/zinc/77/15/45/368771545.db2.gz JOTVCXQHZPLIAR-ZIAGYGMSSA-N 2 2 298.431 0.524 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627049074 368755211 /nfs/dbraw/zinc/75/52/11/368755211.db2.gz OOSCGMDMSBFLHG-QWRGUYRKSA-N 2 2 265.361 0.843 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)NCCOCCC[NH3+] ZINC000627052247 368757964 /nfs/dbraw/zinc/75/79/64/368757964.db2.gz MJDLFDYIFMTZHS-LLVKDONJSA-N 2 2 283.376 0.629 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000627162506 368837286 /nfs/dbraw/zinc/83/72/86/368837286.db2.gz OYAVAJLVGUWXEN-MELADBBJSA-N 2 2 298.431 0.489 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000627105291 368799535 /nfs/dbraw/zinc/79/95/35/368799535.db2.gz DYXIFBZIMYPGPY-DGAVXFQQSA-N 2 2 296.415 0.004 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000627105291 368799544 /nfs/dbraw/zinc/79/95/44/368799544.db2.gz DYXIFBZIMYPGPY-DGAVXFQQSA-N 2 2 296.415 0.004 20 0 CCADLP CC[C@@H]1CN(C(=O)NC[C@H]2COCC[N@@H+]2C)CC[C@H]1[NH3+] ZINC000627183557 368853864 /nfs/dbraw/zinc/85/38/64/368853864.db2.gz MFHCVYJNBZFOKV-FRRDWIJNSA-N 2 2 284.404 0.086 20 0 CCADLP CC[C@@H]1CN(C(=O)NC[C@H]2COCC[N@H+]2C)CC[C@H]1[NH3+] ZINC000627183557 368853868 /nfs/dbraw/zinc/85/38/68/368853868.db2.gz MFHCVYJNBZFOKV-FRRDWIJNSA-N 2 2 284.404 0.086 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[NH+](CCCF)CC1 ZINC000627962904 369149932 /nfs/dbraw/zinc/14/99/32/369149932.db2.gz KXBZPUNUKRFGRA-UHFFFAOYSA-N 2 2 268.336 0.695 20 0 CCADLP C(CN1CCCOCC1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000656262407 412774851 /nfs/dbraw/zinc/77/48/51/412774851.db2.gz UHDOJFOOWJPNHG-INIZCTEOSA-N 2 2 297.443 0.552 20 0 CCADLP C(C[N@@H+]1CCCOCC1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000656262407 412774853 /nfs/dbraw/zinc/77/48/53/412774853.db2.gz UHDOJFOOWJPNHG-INIZCTEOSA-N 2 2 297.443 0.552 20 0 CCADLP C(C[N@H+]1CCCOCC1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000656262407 412774855 /nfs/dbraw/zinc/77/48/55/412774855.db2.gz UHDOJFOOWJPNHG-INIZCTEOSA-N 2 2 297.443 0.552 20 0 CCADLP [NH3+]CC1(NC(=O)c2ccc(-n3cc[nH+]c3)nn2)CCCC1 ZINC000574328946 335010986 /nfs/dbraw/zinc/01/09/86/335010986.db2.gz UXTHVWAGQQAOOU-UHFFFAOYSA-N 2 2 286.339 0.664 20 0 CCADLP Cc1[nH]c(CN2CC[NH+](CC(C)(C)O)CC2)[nH+]c1C ZINC000628161903 369197405 /nfs/dbraw/zinc/19/74/05/369197405.db2.gz WGBQHWMRACKBJJ-UHFFFAOYSA-N 2 2 266.389 0.915 20 0 CCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N[C@H]1CC[NH2+]C1)CCC2 ZINC000574340829 335012373 /nfs/dbraw/zinc/01/23/73/335012373.db2.gz WMEAKFILMTXKEG-NEPJUHHUSA-N 2 2 277.372 0.730 20 0 CCADLP Cc1ncc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)o1 ZINC000628214577 369214227 /nfs/dbraw/zinc/21/42/27/369214227.db2.gz CYZCQMBZYUWRBA-CQSZACIVSA-N 2 2 294.399 0.479 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628917707 369458473 /nfs/dbraw/zinc/45/84/73/369458473.db2.gz ODZJBBJLHVQLGC-UPJWGTAASA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628917707 369458474 /nfs/dbraw/zinc/45/84/74/369458474.db2.gz ODZJBBJLHVQLGC-UPJWGTAASA-N 2 2 269.389 0.306 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC000628920593 369464179 /nfs/dbraw/zinc/46/41/79/369464179.db2.gz ZMBCKSVCMXWPJR-LBPRGKRZSA-N 2 2 266.345 0.110 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC000628920593 369464189 /nfs/dbraw/zinc/46/41/89/369464189.db2.gz ZMBCKSVCMXWPJR-LBPRGKRZSA-N 2 2 266.345 0.110 20 0 CCADLP COCCn1cc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cn1 ZINC000629410516 369667600 /nfs/dbraw/zinc/66/76/00/369667600.db2.gz GADIIJXCKYAPJQ-AAEUAGOBSA-N 2 2 252.362 0.760 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](CC(=O)NC2CC2)CC[C@H]1C(F)(F)F ZINC000629563568 369710653 /nfs/dbraw/zinc/71/06/53/369710653.db2.gz GKIHTTQCCAPSGJ-WCBMZHEXSA-N 2 2 279.306 0.724 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)NC2CC2)CC[C@H]1C(F)(F)F ZINC000629563568 369710655 /nfs/dbraw/zinc/71/06/55/369710655.db2.gz GKIHTTQCCAPSGJ-WCBMZHEXSA-N 2 2 279.306 0.724 20 0 CCADLP Cc1ccc(NCCC[NH2+]C[C@H](O)C[NH+]2CCCC2)[nH+]c1 ZINC000629564936 369711717 /nfs/dbraw/zinc/71/17/17/369711717.db2.gz LYLLHRGRBUGTPW-HNNXBMFYSA-N 3 2 292.427 0.660 20 0 CCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629568136 369714490 /nfs/dbraw/zinc/71/44/90/369714490.db2.gz RPMQOACFLXYVHN-NXEZZACHSA-N 2 2 281.322 0.970 20 0 CCADLP CC(C)NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629568136 369714496 /nfs/dbraw/zinc/71/44/96/369714496.db2.gz RPMQOACFLXYVHN-NXEZZACHSA-N 2 2 281.322 0.970 20 0 CCADLP C[C@@H]([NH3+])C1CC[NH+](CCS(=O)(=O)c2ccccn2)CC1 ZINC000629510229 369686535 /nfs/dbraw/zinc/68/65/35/369686535.db2.gz BBRDNBTVTIDEEH-GFCCVEGCSA-N 2 2 297.424 0.915 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000629516114 369688845 /nfs/dbraw/zinc/68/88/45/369688845.db2.gz YBUYZPPREQDDIT-XQLPTFJDSA-N 3 2 294.443 0.304 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000629516114 369688847 /nfs/dbraw/zinc/68/88/47/369688847.db2.gz YBUYZPPREQDDIT-XQLPTFJDSA-N 3 2 294.443 0.304 20 0 CCADLP CNC(=O)[C@H]1C[N@H+](CCCc2c[nH+]ccc2C)CCO1 ZINC000276472958 193345142 /nfs/dbraw/zinc/34/51/42/193345142.db2.gz QSJXXRYNZKHVTJ-CQSZACIVSA-N 2 2 277.368 0.769 20 0 CCADLP CNC(=O)[C@H]1C[N@@H+](CCCc2c[nH+]ccc2C)CCO1 ZINC000276472958 193345143 /nfs/dbraw/zinc/34/51/43/193345143.db2.gz QSJXXRYNZKHVTJ-CQSZACIVSA-N 2 2 277.368 0.769 20 0 CCADLP CCCCOCC[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000629546387 369699003 /nfs/dbraw/zinc/69/90/03/369699003.db2.gz UYWUFHBGTIQGKL-UHFFFAOYSA-N 2 2 298.431 0.446 20 0 CCADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCN1CC[C@@H](O)C1 ZINC000629548891 369700985 /nfs/dbraw/zinc/70/09/85/369700985.db2.gz ZWTHRYZXFYZANK-NUEKZKHPSA-N 2 2 277.412 0.601 20 0 CCADLP C1CC1[C@@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)[C@@H]1C[NH2+]CCO1 ZINC000629549975 369701910 /nfs/dbraw/zinc/70/19/10/369701910.db2.gz UMXUIEQJLCXHSM-APIJFGDWSA-N 2 2 266.385 0.911 20 0 CCADLP COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1CCCn1cc[nH+]c1C ZINC000276527343 193368352 /nfs/dbraw/zinc/36/83/52/193368352.db2.gz COOLKGPBHJCYBM-RYUDHWBXSA-N 2 2 267.329 0.190 20 0 CCADLP COC(=O)[C@@H]1C[C@H](O)C[N@H+]1CCCn1cc[nH+]c1C ZINC000276527343 193368353 /nfs/dbraw/zinc/36/83/53/193368353.db2.gz COOLKGPBHJCYBM-RYUDHWBXSA-N 2 2 267.329 0.190 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000276548132 193377011 /nfs/dbraw/zinc/37/70/11/193377011.db2.gz HEZFCZPDUYAYMS-ZDUSSCGKSA-N 2 2 294.399 0.268 20 0 CCADLP CCC1([NH+]2CCOCC2)CC[NH+](CCC[NH3+])CC1 ZINC000629584377 369728130 /nfs/dbraw/zinc/72/81/30/369728130.db2.gz SQYUERITHKCQTN-UHFFFAOYSA-N 3 2 255.406 0.912 20 0 CCADLP C[C@H](NC(=O)C[N@H+](C)C1CCC1)[C@H]1C[NH+](C)CCO1 ZINC000629974996 369864037 /nfs/dbraw/zinc/86/40/37/369864037.db2.gz NOPALZIKJCNUQJ-WCQYABFASA-N 2 2 269.389 0.306 20 0 CCADLP C[C@H](NC(=O)C[N@@H+](C)C1CCC1)[C@H]1C[NH+](C)CCO1 ZINC000629974996 369864039 /nfs/dbraw/zinc/86/40/39/369864039.db2.gz NOPALZIKJCNUQJ-WCQYABFASA-N 2 2 269.389 0.306 20 0 CCADLP C[C@H](NC(=O)C[NH+](C)C1CCC1)[C@H]1C[N@H+](C)CCO1 ZINC000629974996 369864042 /nfs/dbraw/zinc/86/40/42/369864042.db2.gz NOPALZIKJCNUQJ-WCQYABFASA-N 2 2 269.389 0.306 20 0 CCADLP C[C@H](NC(=O)C[NH+](C)C1CCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000629974996 369864044 /nfs/dbraw/zinc/86/40/44/369864044.db2.gz NOPALZIKJCNUQJ-WCQYABFASA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H](O)[C@@H]1CCN(c2cc(N3C[C@@H]4C[C@H]3C[NH2+]4)nc[nH+]2)C1 ZINC000630555397 370168257 /nfs/dbraw/zinc/16/82/57/370168257.db2.gz LCJJECWUDFNEHY-NDBYEHHHSA-N 2 2 289.383 0.234 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@@H+]1C ZINC000630464397 370126435 /nfs/dbraw/zinc/12/64/35/370126435.db2.gz ICASOPVOBDLILG-UONOGXRCSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@H+]1C ZINC000630464397 370126439 /nfs/dbraw/zinc/12/64/39/370126439.db2.gz ICASOPVOBDLILG-UONOGXRCSA-N 2 2 297.443 0.944 20 0 CCADLP Cc1cc(NC[C@@H]2COCC[NH2+]2)nc(-c2ccncc2)[nH+]1 ZINC000630532913 370152859 /nfs/dbraw/zinc/15/28/59/370152859.db2.gz ODMKPJIWHGUBQJ-CYBMUJFWSA-N 2 2 285.351 0.669 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000372026777 284204662 /nfs/dbraw/zinc/20/46/62/284204662.db2.gz RTJHTWAUHKFREP-OLZOCXBDSA-N 2 2 274.368 0.776 20 0 CCADLP COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000249408580 284212781 /nfs/dbraw/zinc/21/27/81/284212781.db2.gz UUSIYDGUFOROPO-KGLIPLIRSA-N 2 2 295.383 0.970 20 0 CCADLP COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000249408580 284212782 /nfs/dbraw/zinc/21/27/82/284212782.db2.gz UUSIYDGUFOROPO-KGLIPLIRSA-N 2 2 295.383 0.970 20 0 CCADLP Cc1nc(NC[C@H](c2ccco2)[NH+](C)C)nc(N)[nH+]1 ZINC000631035857 370365231 /nfs/dbraw/zinc/36/52/31/370365231.db2.gz BFGNCCAXSIVOLC-SECBINFHSA-N 2 2 262.317 0.322 20 0 CCADLP COc1cncc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1C ZINC000631049880 370368275 /nfs/dbraw/zinc/36/82/75/370368275.db2.gz NQJOOCDYKOYIMF-CQSZACIVSA-N 2 2 279.384 0.945 20 0 CCADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000631056167 370369417 /nfs/dbraw/zinc/36/94/17/370369417.db2.gz KQGDAFLDSAIEAS-OLZOCXBDSA-N 2 2 281.404 0.744 20 0 CCADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)C1 ZINC000631067954 370374802 /nfs/dbraw/zinc/37/48/02/370374802.db2.gz CESCIABQOCMYSC-KGLIPLIRSA-N 2 2 293.415 0.746 20 0 CCADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)C1 ZINC000631067954 370374809 /nfs/dbraw/zinc/37/48/09/370374809.db2.gz CESCIABQOCMYSC-KGLIPLIRSA-N 2 2 293.415 0.746 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)CC[N@@H+]1C ZINC000631080865 370378603 /nfs/dbraw/zinc/37/86/03/370378603.db2.gz ZWEAMIQMQMFGHJ-RDBSUJKOSA-N 2 2 293.415 0.887 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)CC[N@H+]1C ZINC000631080865 370378610 /nfs/dbraw/zinc/37/86/10/370378610.db2.gz ZWEAMIQMQMFGHJ-RDBSUJKOSA-N 2 2 293.415 0.887 20 0 CCADLP Cc1nc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)nc(N)[nH+]1 ZINC000631096939 370382836 /nfs/dbraw/zinc/38/28/36/370382836.db2.gz MBSBUXLULWVSDM-VIFPVBQESA-N 2 2 259.317 0.700 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC[N@@H+]1C ZINC000630949167 370339511 /nfs/dbraw/zinc/33/95/11/370339511.db2.gz VMLKLOSCKDJXGJ-QLFBSQMISA-N 2 2 296.459 0.469 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)CC[N@H+]1C ZINC000630949167 370339513 /nfs/dbraw/zinc/33/95/13/370339513.db2.gz VMLKLOSCKDJXGJ-QLFBSQMISA-N 2 2 296.459 0.469 20 0 CCADLP Cc1nc(NC2CCC([NH+](C)C)CC2)nc(N)[nH+]1 ZINC000631310622 370467724 /nfs/dbraw/zinc/46/77/24/370467724.db2.gz ZNGYLVZTHIUORJ-UHFFFAOYSA-N 2 2 250.350 0.877 20 0 CCADLP Cc1nc(N)nc(NC2CCC([NH+](C)C)CC2)[nH+]1 ZINC000631310622 370467728 /nfs/dbraw/zinc/46/77/28/370467728.db2.gz ZNGYLVZTHIUORJ-UHFFFAOYSA-N 2 2 250.350 0.877 20 0 CCADLP O=c1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)nc(C2CC2)[nH]1 ZINC000656416950 412789568 /nfs/dbraw/zinc/78/95/68/412789568.db2.gz DAEHHCPCFHYAQM-GHMZBOCLSA-N 2 2 260.341 0.711 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000567818373 291518556 /nfs/dbraw/zinc/51/85/56/291518556.db2.gz YSNHTZWQEDYZKM-GXTWGEPZSA-N 2 2 262.357 0.731 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000633084643 371389455 /nfs/dbraw/zinc/38/94/55/371389455.db2.gz JPNYRHRRBRTAJP-SNVBAGLBSA-N 2 2 263.345 0.788 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000633084643 371389460 /nfs/dbraw/zinc/38/94/60/371389460.db2.gz JPNYRHRRBRTAJP-SNVBAGLBSA-N 2 2 263.345 0.788 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCC1(O)CCC1 ZINC000633617711 371633768 /nfs/dbraw/zinc/63/37/68/371633768.db2.gz MCINYCKTJWNVTG-UHFFFAOYSA-N 2 2 285.432 0.681 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCC1(O)CCC1 ZINC000633617711 371633771 /nfs/dbraw/zinc/63/37/71/371633771.db2.gz MCINYCKTJWNVTG-UHFFFAOYSA-N 2 2 285.432 0.681 20 0 CCADLP CC(C)O[C@H]1C[C@@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000633823492 371713640 /nfs/dbraw/zinc/71/36/40/371713640.db2.gz JHLVPYJGLLQVPZ-RWMBFGLXSA-N 2 2 284.404 0.227 20 0 CCADLP CC(C)O[C@H]1C[C@@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000633823492 371713645 /nfs/dbraw/zinc/71/36/45/371713645.db2.gz JHLVPYJGLLQVPZ-RWMBFGLXSA-N 2 2 284.404 0.227 20 0 CCADLP CC1(C)C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CCO1 ZINC000634685434 372133350 /nfs/dbraw/zinc/13/33/50/372133350.db2.gz OBQIRDBLYOOSAZ-OLZOCXBDSA-N 2 2 283.416 0.873 20 0 CCADLP CC1(C)C[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CCO1 ZINC000634685434 372133352 /nfs/dbraw/zinc/13/33/52/372133352.db2.gz OBQIRDBLYOOSAZ-OLZOCXBDSA-N 2 2 283.416 0.873 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000634699626 372146053 /nfs/dbraw/zinc/14/60/53/372146053.db2.gz MUOSDHWQIDXQKI-XBFCOCLRSA-N 2 2 267.373 0.773 20 0 CCADLP C[C@](O)(C[C@@H](O)C[NH2+][C@H]1CC[N@H+](CC2CC2)C1)C1CC1 ZINC000634705114 372150537 /nfs/dbraw/zinc/15/05/37/372150537.db2.gz VJSNMOOMGAZECT-XHSDSOJGSA-N 2 2 282.428 0.972 20 0 CCADLP C[C@](O)(C[C@@H](O)C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C1CC1 ZINC000634705114 372150541 /nfs/dbraw/zinc/15/05/41/372150541.db2.gz VJSNMOOMGAZECT-XHSDSOJGSA-N 2 2 282.428 0.972 20 0 CCADLP C[C@](O)(C[C@@H](O)C[NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000634712089 372156828 /nfs/dbraw/zinc/15/68/28/372156828.db2.gz YXXPVUMRHNVJIH-NFAWXSAZSA-N 2 2 279.384 0.700 20 0 CCADLP Cn1c[nH+]c(CC[NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)c1 ZINC000634716493 372160557 /nfs/dbraw/zinc/16/05/57/372160557.db2.gz VKEMNOKTDVTYIL-UONOGXRCSA-N 2 2 267.373 0.464 20 0 CCADLP C[C@H](C(=O)N[C@@H]1CCn2cc[nH+]c2C1)[NH+]1CC(C)C1 ZINC000567913319 291536405 /nfs/dbraw/zinc/53/64/05/291536405.db2.gz AZFGLQVWARNRQW-VXGBXAGGSA-N 2 2 262.357 0.654 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCCCN(C)C1=O ZINC000634744113 372189924 /nfs/dbraw/zinc/18/99/24/372189924.db2.gz NNIGJAMQRDDWAY-ZIAGYGMSSA-N 2 2 285.432 0.630 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCCCN(C)C1=O ZINC000634744113 372189928 /nfs/dbraw/zinc/18/99/28/372189928.db2.gz NNIGJAMQRDDWAY-ZIAGYGMSSA-N 2 2 285.432 0.630 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000634744113 372189933 /nfs/dbraw/zinc/18/99/33/372189933.db2.gz NNIGJAMQRDDWAY-ZIAGYGMSSA-N 2 2 285.432 0.630 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000634744113 372189936 /nfs/dbraw/zinc/18/99/36/372189936.db2.gz NNIGJAMQRDDWAY-ZIAGYGMSSA-N 2 2 285.432 0.630 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCO[C@H](C(F)F)CC1 ZINC000634758958 372205437 /nfs/dbraw/zinc/20/54/37/372205437.db2.gz ZFLHPQPQNUJYEM-NEPJUHHUSA-N 2 2 296.358 0.282 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCO[C@H](C(F)F)CC1 ZINC000634758958 372205441 /nfs/dbraw/zinc/20/54/41/372205441.db2.gz ZFLHPQPQNUJYEM-NEPJUHHUSA-N 2 2 296.358 0.282 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000634758958 372205446 /nfs/dbraw/zinc/20/54/46/372205446.db2.gz ZFLHPQPQNUJYEM-NEPJUHHUSA-N 2 2 296.358 0.282 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000634758958 372205450 /nfs/dbraw/zinc/20/54/50/372205450.db2.gz ZFLHPQPQNUJYEM-NEPJUHHUSA-N 2 2 296.358 0.282 20 0 CCADLP CC1(O)CCN(c2cc(N3CC[NH2+]CC3)nc[nH+]2)CC1 ZINC000634807422 372248329 /nfs/dbraw/zinc/24/83/29/372248329.db2.gz LMTCNZMYPTVXML-UHFFFAOYSA-N 2 2 277.372 0.237 20 0 CCADLP CC(C)OCCOC[C@H](O)C[N@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634992484 372326908 /nfs/dbraw/zinc/32/69/08/372326908.db2.gz QNQCMZWQKACCEV-SHARSMKWSA-N 2 2 286.416 0.473 20 0 CCADLP CC(C)OCCOC[C@H](O)C[N@@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634992484 372326913 /nfs/dbraw/zinc/32/69/13/372326913.db2.gz QNQCMZWQKACCEV-SHARSMKWSA-N 2 2 286.416 0.473 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)N1CC[NH+](CCO)CC1 ZINC000635248517 372428170 /nfs/dbraw/zinc/42/81/70/372428170.db2.gz MBVPQUPHOFMDIN-UHFFFAOYSA-N 2 2 280.372 0.143 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635326480 372460505 /nfs/dbraw/zinc/46/05/05/372460505.db2.gz FDTUKSUFNQVYKJ-HBNTYKKESA-N 2 2 259.313 0.915 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635327416 372462393 /nfs/dbraw/zinc/46/23/93/372462393.db2.gz VKXVGVNLLLBNJG-VXGBXAGGSA-N 2 2 250.346 0.730 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635327416 372462399 /nfs/dbraw/zinc/46/23/99/372462399.db2.gz VKXVGVNLLLBNJG-VXGBXAGGSA-N 2 2 250.346 0.730 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)[nH+]1 ZINC000635421968 372502039 /nfs/dbraw/zinc/50/20/39/372502039.db2.gz JEDFKQWRPFCNAM-NSHDSACASA-N 2 2 262.357 0.868 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@H]2CC[N@H+](C3CC3)C2)[nH+]1 ZINC000635421968 372502047 /nfs/dbraw/zinc/50/20/47/372502047.db2.gz JEDFKQWRPFCNAM-NSHDSACASA-N 2 2 262.357 0.868 20 0 CCADLP C[C@H](C(=O)N1CCN(Cc2[nH+]ccn2C)CC1)[NH+](C)C ZINC000635514312 372576587 /nfs/dbraw/zinc/57/65/87/372576587.db2.gz IBBAIOZETUOWEG-GFCCVEGCSA-N 2 2 279.388 0.014 20 0 CCADLP CC1(C)C[NH2+]CC[C@@H](NC(=O)NCCn2cc[nH+]c2)C1 ZINC000635527541 372590612 /nfs/dbraw/zinc/59/06/12/372590612.db2.gz JIURCDGOXONZCY-GFCCVEGCSA-N 2 2 279.388 0.961 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@@H](C)[NH+](C)C)N1CC[NH+](C)CC1 ZINC000635555725 372622709 /nfs/dbraw/zinc/62/27/09/372622709.db2.gz GMPNXXSUSPOERQ-ZIAGYGMSSA-N 2 2 284.448 0.325 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@@H](C)[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000635555725 372622717 /nfs/dbraw/zinc/62/27/17/372622717.db2.gz GMPNXXSUSPOERQ-ZIAGYGMSSA-N 2 2 284.448 0.325 20 0 CCADLP C[C@H](C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)[NH+](C)C ZINC000635696167 372776385 /nfs/dbraw/zinc/77/63/85/372776385.db2.gz WQTGQRLNRFEGMV-RDBSUJKOSA-N 2 2 283.416 0.696 20 0 CCADLP CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000568074829 291551357 /nfs/dbraw/zinc/55/13/57/291551357.db2.gz UXNWGGHMBGONHW-FDYHWXHSSA-N 2 2 258.362 0.147 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635715522 372806141 /nfs/dbraw/zinc/80/61/41/372806141.db2.gz VYWOSAQLUHJEFA-JHJVBQTASA-N 2 2 292.383 0.428 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000635715522 372806148 /nfs/dbraw/zinc/80/61/48/372806148.db2.gz VYWOSAQLUHJEFA-JHJVBQTASA-N 2 2 292.383 0.428 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000333277050 205178171 /nfs/dbraw/zinc/17/81/71/205178171.db2.gz LQZUWEZHELDHLJ-AAVRWANBSA-N 3 2 255.406 0.861 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000333315474 205210437 /nfs/dbraw/zinc/21/04/37/205210437.db2.gz SRGKCFFCTMEYTL-QEJZJMRPSA-N 2 2 295.427 0.887 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000333315474 205210439 /nfs/dbraw/zinc/21/04/39/205210439.db2.gz SRGKCFFCTMEYTL-QEJZJMRPSA-N 2 2 295.427 0.887 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000333357422 205251464 /nfs/dbraw/zinc/25/14/64/205251464.db2.gz KOHRGJSERQEDIW-QWHCGFSZSA-N 2 2 298.431 0.394 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000333357422 205251467 /nfs/dbraw/zinc/25/14/67/205251467.db2.gz KOHRGJSERQEDIW-QWHCGFSZSA-N 2 2 298.431 0.394 20 0 CCADLP Cn1cc([C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]2[NH3+])cn1 ZINC000333355739 205248020 /nfs/dbraw/zinc/24/80/20/205248020.db2.gz BZECYPWBQUVRGT-FPMFFAJLSA-N 2 2 264.373 0.573 20 0 CCADLP Cn1cc([C@@H]2C[N@@H+](C[C@@H]3CCCOC3)C[C@H]2[NH3+])cn1 ZINC000333355739 205248023 /nfs/dbraw/zinc/24/80/23/205248023.db2.gz BZECYPWBQUVRGT-FPMFFAJLSA-N 2 2 264.373 0.573 20 0 CCADLP C[C@@H](NC(=O)N[C@H]1C[NH2+]CC[C@H]1C)[C@@H](C)[NH+]1CCOCC1 ZINC000333419365 205304624 /nfs/dbraw/zinc/30/46/24/205304624.db2.gz SGJVEBCJWYNOFJ-SYQHCUMBSA-N 2 2 298.431 0.393 20 0 CCADLP [NH3+][C@H]1CCCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000333407496 205295848 /nfs/dbraw/zinc/29/58/48/205295848.db2.gz QTMWTMZLUJWUSZ-STQMWFEESA-N 2 2 289.383 0.793 20 0 CCADLP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000635821635 372956305 /nfs/dbraw/zinc/95/63/05/372956305.db2.gz YXQAQMLHCBZCKV-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000635821635 372956312 /nfs/dbraw/zinc/95/63/12/372956312.db2.gz YXQAQMLHCBZCKV-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000635870255 373026173 /nfs/dbraw/zinc/02/61/73/373026173.db2.gz UEAKVDRQGWLWEK-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000635870255 373026183 /nfs/dbraw/zinc/02/61/83/373026183.db2.gz UEAKVDRQGWLWEK-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CCN(c3[nH]cc[nH+]3)CC2)[nH+]1 ZINC000635858866 373013949 /nfs/dbraw/zinc/01/39/49/373013949.db2.gz MWBVCPHBOZUPFM-UHFFFAOYSA-N 2 2 288.355 0.587 20 0 CCADLP c1c(C[NH+]2CCSCC2)nnn1[C@H]1CCC[NH2+]C1 ZINC000656468574 412808472 /nfs/dbraw/zinc/80/84/72/412808472.db2.gz OABVBVVJEHJPGR-LBPRGKRZSA-N 2 2 267.402 0.751 20 0 CCADLP C[NH+](C)CC1(C(=O)NC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000636026394 373267613 /nfs/dbraw/zinc/26/76/13/373267613.db2.gz QHOZFQMNKCZGTI-UHFFFAOYSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](C)CO1 ZINC000636170816 373425667 /nfs/dbraw/zinc/42/56/67/373425667.db2.gz CBJCLSSITOQOQD-MCIONIFRSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C[C@@H]2CC[NH+](C)C2)[C@H](C)CO1 ZINC000636170816 373425674 /nfs/dbraw/zinc/42/56/74/373425674.db2.gz CBJCLSSITOQOQD-MCIONIFRSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](C)CO1 ZINC000636170816 373425683 /nfs/dbraw/zinc/42/56/83/373425683.db2.gz CBJCLSSITOQOQD-MCIONIFRSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H](C)CO1 ZINC000636170816 373425686 /nfs/dbraw/zinc/42/56/86/373425686.db2.gz CBJCLSSITOQOQD-MCIONIFRSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636589706 373662009 /nfs/dbraw/zinc/66/20/09/373662009.db2.gz NYQZIELFQPMTKT-WDEREUQCSA-N 2 2 274.328 0.392 20 0 CCADLP CCCN(C(=O)NC[C@H]1COCC[NH+]1C)[C@@H]1CC[N@H+](C)C1 ZINC000637441154 374158299 /nfs/dbraw/zinc/15/82/99/374158299.db2.gz ZFDIIAJTFUIKCO-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP CCCN(C(=O)NC[C@H]1COCC[NH+]1C)[C@@H]1CC[N@@H+](C)C1 ZINC000637441154 374158307 /nfs/dbraw/zinc/15/83/07/374158307.db2.gz ZFDIIAJTFUIKCO-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP CCCN(C(=O)NC[C@H]1COCC[N@@H+]1C)[C@@H]1CC[NH+](C)C1 ZINC000637441154 374158313 /nfs/dbraw/zinc/15/83/13/374158313.db2.gz ZFDIIAJTFUIKCO-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP CCCN(C(=O)NC[C@H]1COCC[N@H+]1C)[C@@H]1CC[NH+](C)C1 ZINC000637441154 374158321 /nfs/dbraw/zinc/15/83/21/374158321.db2.gz ZFDIIAJTFUIKCO-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP CN(C(=O)NC[C@H]1COCC[NH+]1C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000637442317 374160424 /nfs/dbraw/zinc/16/04/24/374160424.db2.gz DRYDYFWXTYMWQE-KBPBESRZSA-N 2 2 296.415 0.195 20 0 CCADLP CN(C(=O)NC[C@H]1COCC[NH+]1C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000637442317 374160428 /nfs/dbraw/zinc/16/04/28/374160428.db2.gz DRYDYFWXTYMWQE-KBPBESRZSA-N 2 2 296.415 0.195 20 0 CCADLP CN(C(=O)NC[C@H]1COCC[N@@H+]1C)[C@H]1CC[NH+](C2CC2)C1 ZINC000637442317 374160431 /nfs/dbraw/zinc/16/04/31/374160431.db2.gz DRYDYFWXTYMWQE-KBPBESRZSA-N 2 2 296.415 0.195 20 0 CCADLP CN(C(=O)NC[C@H]1COCC[N@H+]1C)[C@H]1CC[NH+](C2CC2)C1 ZINC000637442317 374160437 /nfs/dbraw/zinc/16/04/37/374160437.db2.gz DRYDYFWXTYMWQE-KBPBESRZSA-N 2 2 296.415 0.195 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC[C@@H]1COCC[NH+]1C ZINC000637445220 374170514 /nfs/dbraw/zinc/17/05/14/374170514.db2.gz XLOZWQVXXJMKLV-MGPQQGTHSA-N 2 2 298.431 0.299 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC[C@@H]1COCC[NH+]1C ZINC000637445220 374170518 /nfs/dbraw/zinc/17/05/18/374170518.db2.gz XLOZWQVXXJMKLV-MGPQQGTHSA-N 2 2 298.431 0.299 20 0 CCADLP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637445220 374170522 /nfs/dbraw/zinc/17/05/22/374170522.db2.gz XLOZWQVXXJMKLV-MGPQQGTHSA-N 2 2 298.431 0.299 20 0 CCADLP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637445220 374170528 /nfs/dbraw/zinc/17/05/28/374170528.db2.gz XLOZWQVXXJMKLV-MGPQQGTHSA-N 2 2 298.431 0.299 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000637446371 374172653 /nfs/dbraw/zinc/17/26/53/374172653.db2.gz RFTBRASHCUJQNF-KBPBESRZSA-N 2 2 296.415 0.197 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000637446371 374172656 /nfs/dbraw/zinc/17/26/56/374172656.db2.gz RFTBRASHCUJQNF-KBPBESRZSA-N 2 2 296.415 0.197 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000637447518 374172963 /nfs/dbraw/zinc/17/29/63/374172963.db2.gz PMVKXKOXPRSMHW-CQSZACIVSA-N 2 2 296.415 0.197 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000637447518 374172966 /nfs/dbraw/zinc/17/29/66/374172966.db2.gz PMVKXKOXPRSMHW-CQSZACIVSA-N 2 2 296.415 0.197 20 0 CCADLP C[N@@H+]1CCCN(CC(C)(C)[NH+]2CCOCC2)CC1 ZINC000637810522 374342826 /nfs/dbraw/zinc/34/28/26/374342826.db2.gz IGUIMLUIMNUDSC-UHFFFAOYSA-N 2 2 255.406 0.735 20 0 CCADLP C[N@H+]1CCCN(CC(C)(C)[NH+]2CCOCC2)CC1 ZINC000637810522 374342831 /nfs/dbraw/zinc/34/28/31/374342831.db2.gz IGUIMLUIMNUDSC-UHFFFAOYSA-N 2 2 255.406 0.735 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCC[C@H]1CC[NH2+]C1)CC2 ZINC000637832114 374374969 /nfs/dbraw/zinc/37/49/69/374374969.db2.gz GCBTXRWTBXQIRY-OLZOCXBDSA-N 2 2 276.384 0.870 20 0 CCADLP COC[C@]1(C(=O)Nc2ccc(N)[nH+]c2)CCCC[NH2+]1 ZINC000637829449 374370661 /nfs/dbraw/zinc/37/06/61/374370661.db2.gz KXEAZUAMDQALID-ZDUSSCGKSA-N 2 2 264.329 0.591 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@H]1CCC[NH2+]C1)CC2 ZINC000637814198 374348353 /nfs/dbraw/zinc/34/83/53/374348353.db2.gz IWSWDQUGXCJYOG-QWHCGFSZSA-N 2 2 276.384 0.870 20 0 CCADLP CCCN(C(=O)Cc1[nH]c[nH+]c1C)[C@@H]1CC[NH2+]C1 ZINC000637834379 374378450 /nfs/dbraw/zinc/37/84/50/374378450.db2.gz WBGKLXKFKGCSNU-LLVKDONJSA-N 2 2 250.346 0.861 20 0 CCADLP Cc1nc2c(cccc2C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])o1 ZINC000637864512 374426939 /nfs/dbraw/zinc/42/69/39/374426939.db2.gz SEBIHSHNDLRJFP-LLVKDONJSA-N 2 2 288.351 0.851 20 0 CCADLP Cc1nc2c(cccc2C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])o1 ZINC000637864512 374426945 /nfs/dbraw/zinc/42/69/45/374426945.db2.gz SEBIHSHNDLRJFP-LLVKDONJSA-N 2 2 288.351 0.851 20 0 CCADLP Nc1ncc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(N)n1 ZINC000638019044 374563272 /nfs/dbraw/zinc/56/32/72/374563272.db2.gz XLJOTLMZKQRHRR-LLVKDONJSA-N 2 2 273.344 0.335 20 0 CCADLP Nc1ncc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(N)n1 ZINC000638019044 374563274 /nfs/dbraw/zinc/56/32/74/374563274.db2.gz XLJOTLMZKQRHRR-LLVKDONJSA-N 2 2 273.344 0.335 20 0 CCADLP COC[C@@]1(C(=O)NCCn2cc[nH+]c2)CCCC[NH2+]1 ZINC000638051948 374594601 /nfs/dbraw/zinc/59/46/01/374594601.db2.gz VDRQOWJLGGROGF-CYBMUJFWSA-N 2 2 266.345 0.158 20 0 CCADLP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000638075661 374631477 /nfs/dbraw/zinc/63/14/77/374631477.db2.gz GWGNLGOBPRRBRJ-AXFHLTTASA-N 2 2 264.329 0.232 20 0 CCADLP Cc1cn2cc(NC(=O)[C@@H]3OCC[C@@H]3[NH3+])ccc2[nH+]1 ZINC000638096489 374659320 /nfs/dbraw/zinc/65/93/20/374659320.db2.gz IUKGSOOWLCSKFG-CMPLNLGQSA-N 2 2 260.297 0.697 20 0 CCADLP C[C@H]([C@H](C)NC(=O)C1=CC[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000638101719 374665657 /nfs/dbraw/zinc/66/56/57/374665657.db2.gz RDGQSUBCUCCKSD-LOWVWBTDSA-N 2 2 267.373 0.259 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000638101216 374666773 /nfs/dbraw/zinc/66/67/73/374666773.db2.gz OQIYSUUFJVTFCL-VXGBXAGGSA-N 2 2 295.383 0.886 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000638117965 374684608 /nfs/dbraw/zinc/68/46/08/374684608.db2.gz UPKQFWKCYVDKCD-CHWSQXEVSA-N 3 2 282.432 0.269 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000638117965 374684611 /nfs/dbraw/zinc/68/46/11/374684611.db2.gz UPKQFWKCYVDKCD-CHWSQXEVSA-N 3 2 282.432 0.269 20 0 CCADLP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC[NH+](C)CC1 ZINC000638149516 374719925 /nfs/dbraw/zinc/71/99/25/374719925.db2.gz MGZGEKKEOALOPH-OAHLLOKOSA-N 2 2 290.411 0.220 20 0 CCADLP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC[NH+](C)CC1 ZINC000638149516 374719932 /nfs/dbraw/zinc/71/99/32/374719932.db2.gz MGZGEKKEOALOPH-OAHLLOKOSA-N 2 2 290.411 0.220 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@]2(COC)CCC[NH2+]2)[nH+]1 ZINC000638233682 374825368 /nfs/dbraw/zinc/82/53/68/374825368.db2.gz WVYLOPFXSBLXSS-AWEZNQCLSA-N 2 2 280.372 0.399 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)[nH+]1 ZINC000638203364 374786285 /nfs/dbraw/zinc/78/62/85/374786285.db2.gz FJPQYIBNFAXPOT-UWVGGRQHSA-N 2 2 250.346 0.723 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@H]2CC[C@H](C[NH3+])C2)[nH+]1 ZINC000638269423 374870047 /nfs/dbraw/zinc/87/00/47/374870047.db2.gz OKEBEFUGKBZZFU-ONGXEEELSA-N 2 2 250.346 0.758 20 0 CCADLP Cc1cn2ccc(C(=O)N3CCCO[C@H](C[NH3+])C3)cc2[nH+]1 ZINC000638344484 374944021 /nfs/dbraw/zinc/94/40/21/374944021.db2.gz UFAMOOAYAVQMGA-CYBMUJFWSA-N 2 2 288.351 0.833 20 0 CCADLP CC[NH2+][C@H](C)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000638406276 375003679 /nfs/dbraw/zinc/00/36/79/375003679.db2.gz KDNBGGNUNXAIEJ-GRYCIOLGSA-N 2 2 257.378 0.210 20 0 CCADLP CC[NH2+][C@H](C)C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000638406276 375003684 /nfs/dbraw/zinc/00/36/84/375003684.db2.gz KDNBGGNUNXAIEJ-GRYCIOLGSA-N 2 2 257.378 0.210 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C2=CC[C@H]([NH3+])C2)[C@H](C)CO1 ZINC000638407362 375005625 /nfs/dbraw/zinc/00/56/25/375005625.db2.gz UTTOOXPKCXPEFU-WZRBSPASSA-N 2 2 267.373 0.259 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2=CC[C@H]([NH3+])C2)[C@H](C)CO1 ZINC000638407362 375005628 /nfs/dbraw/zinc/00/56/28/375005628.db2.gz UTTOOXPKCXPEFU-WZRBSPASSA-N 2 2 267.373 0.259 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000638424966 375021400 /nfs/dbraw/zinc/02/14/00/375021400.db2.gz CYJRFDKUGHBLJC-ZFWWWQNUSA-N 3 2 296.459 0.611 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000638424966 375021404 /nfs/dbraw/zinc/02/14/04/375021404.db2.gz CYJRFDKUGHBLJC-ZFWWWQNUSA-N 3 2 296.459 0.611 20 0 CCADLP COCC[N@H+](C)CC[NH2+]C[C@@H](OC)[C@H]1CCOC1 ZINC000638483345 375076453 /nfs/dbraw/zinc/07/64/53/375076453.db2.gz KBQBIDPFNZODFF-QWHCGFSZSA-N 2 2 260.378 0.206 20 0 CCADLP COCC[N@@H+](C)CC[NH2+]C[C@@H](OC)[C@H]1CCOC1 ZINC000638483345 375076458 /nfs/dbraw/zinc/07/64/58/375076458.db2.gz KBQBIDPFNZODFF-QWHCGFSZSA-N 2 2 260.378 0.206 20 0 CCADLP O=C(N[C@@H]1CC[NH2+]C12CCC2)c1ccc(-n2cc[nH+]c2)nn1 ZINC000638506322 375095409 /nfs/dbraw/zinc/09/54/09/375095409.db2.gz SSKOJTSPCDVDLL-GFCCVEGCSA-N 2 2 298.350 0.677 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@]1(OC)CCOC1 ZINC000638510854 375101361 /nfs/dbraw/zinc/10/13/61/375101361.db2.gz UACWVUHQWWRKGW-ZIAGYGMSSA-N 2 2 272.389 0.492 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@]1(OC)CCOC1 ZINC000638510854 375101366 /nfs/dbraw/zinc/10/13/66/375101366.db2.gz UACWVUHQWWRKGW-ZIAGYGMSSA-N 2 2 272.389 0.492 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@]1(OC)CCOC1 ZINC000638510851 375101497 /nfs/dbraw/zinc/10/14/97/375101497.db2.gz UACWVUHQWWRKGW-KBPBESRZSA-N 2 2 272.389 0.492 20 0 CCADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@]1(OC)CCOC1 ZINC000638510851 375101503 /nfs/dbraw/zinc/10/15/03/375101503.db2.gz UACWVUHQWWRKGW-KBPBESRZSA-N 2 2 272.389 0.492 20 0 CCADLP CC(C)(O)C[NH+]1CCC([NH2+]CC(=O)NC2CCCC2)CC1 ZINC000638527563 375117686 /nfs/dbraw/zinc/11/76/86/375117686.db2.gz ZKUFSGHGCDPJKO-UHFFFAOYSA-N 2 2 297.443 0.870 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638609083 375189514 /nfs/dbraw/zinc/18/95/14/375189514.db2.gz DQMGKJAOAWEHPD-WTUNAVPPSA-N 2 2 281.400 0.354 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638609083 375189521 /nfs/dbraw/zinc/18/95/21/375189521.db2.gz DQMGKJAOAWEHPD-WTUNAVPPSA-N 2 2 281.400 0.354 20 0 CCADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638608445 375190778 /nfs/dbraw/zinc/19/07/78/375190778.db2.gz AYVUFUBMOQNSDQ-RYUDHWBXSA-N 2 2 271.405 0.457 20 0 CCADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000638608445 375190785 /nfs/dbraw/zinc/19/07/85/375190785.db2.gz AYVUFUBMOQNSDQ-RYUDHWBXSA-N 2 2 271.405 0.457 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)CC1(C[NH3+])CCCCC1 ZINC000638611278 375192796 /nfs/dbraw/zinc/19/27/96/375192796.db2.gz NNIXFTHCMQAXLQ-CYBMUJFWSA-N 2 2 283.416 0.733 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)CC1(C[NH3+])CCCCC1 ZINC000638611278 375192804 /nfs/dbraw/zinc/19/28/04/375192804.db2.gz NNIXFTHCMQAXLQ-CYBMUJFWSA-N 2 2 283.416 0.733 20 0 CCADLP CC(C)C[C@H](C(=O)NC[C@@H]1COCC[NH2+]1)n1cc[nH+]c1 ZINC000638612201 375194539 /nfs/dbraw/zinc/19/45/39/375194539.db2.gz NKFSEKYQSVSRQH-CHWSQXEVSA-N 2 2 280.372 0.575 20 0 CCADLP C[C@H](C[NH2+][C@@H](C)Cc1cnccn1)C[NH+]1CCOCC1 ZINC000638674742 375278975 /nfs/dbraw/zinc/27/89/75/375278975.db2.gz MNEHWHSAKXXIDX-KGLIPLIRSA-N 2 2 278.400 0.966 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1C[C@@H]([NH3+])C[C@@H]1C)CC2 ZINC000638929578 375465956 /nfs/dbraw/zinc/46/59/56/375465956.db2.gz GUUAQYHCRMHXNK-TUAOUCFPSA-N 2 2 262.357 0.702 20 0 CCADLP CCC[NH+]1CCC([NH2+]Cc2cnc(N)nc2N)CC1 ZINC000638847652 375404750 /nfs/dbraw/zinc/40/47/50/375404750.db2.gz CPMSBVYOQWSJTC-UHFFFAOYSA-N 2 2 264.377 0.266 20 0 CCADLP O=C(C1CC[NH+](CC(F)F)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638915379 375451804 /nfs/dbraw/zinc/45/18/04/375451804.db2.gz PSIQGTPHEMSLAD-QWRGUYRKSA-N 2 2 273.327 0.536 20 0 CCADLP N[C@]1(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)CC1(F)F ZINC000638984135 375497066 /nfs/dbraw/zinc/49/70/66/375497066.db2.gz SNIXSHRPRLPHAH-LBPRGKRZSA-N 2 2 297.309 0.166 20 0 CCADLP CC[C@@H](C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[NH+](C)C ZINC000638985774 375498299 /nfs/dbraw/zinc/49/82/99/375498299.db2.gz NXHUJZTTXCYOIY-ZDUSSCGKSA-N 3 2 291.399 0.770 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000639016693 375519226 /nfs/dbraw/zinc/51/92/26/375519226.db2.gz NGXKZWHNNDDVOZ-LBPRGKRZSA-N 2 2 288.355 0.803 20 0 CCADLP CN(CCC[NH+]1CCCC1)Cc1c[nH+]c(N)nc1N ZINC000639131913 375592220 /nfs/dbraw/zinc/59/22/20/375592220.db2.gz BIABTOPCUMRZSR-UHFFFAOYSA-N 2 2 264.377 0.219 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]Cc1cccn(C(F)F)c1=O ZINC000639054341 375549629 /nfs/dbraw/zinc/54/96/29/375549629.db2.gz OPRYJDCPGNIBCB-UHFFFAOYSA-N 2 2 289.326 0.647 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]Cc1cccn(C(F)F)c1=O ZINC000639054341 375549633 /nfs/dbraw/zinc/54/96/33/375549633.db2.gz OPRYJDCPGNIBCB-UHFFFAOYSA-N 2 2 289.326 0.647 20 0 CCADLP CN(Cc1c[nH+]c(N)nc1N)CC1([NH+](C)C)CCC1 ZINC000639089133 375567538 /nfs/dbraw/zinc/56/75/38/375567538.db2.gz NQNBJNPKKCYJEZ-UHFFFAOYSA-N 2 2 264.377 0.218 20 0 CCADLP CCN(CCC[NH+]1CCCC1)Cc1c[nH+]c(N)nc1N ZINC000639175461 375618008 /nfs/dbraw/zinc/61/80/08/375618008.db2.gz NGIQSPSPJBZWEP-UHFFFAOYSA-N 2 2 278.404 0.610 20 0 CCADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1cnc(N)nc1N ZINC000639175461 375618014 /nfs/dbraw/zinc/61/80/14/375618014.db2.gz NGIQSPSPJBZWEP-UHFFFAOYSA-N 2 2 278.404 0.610 20 0 CCADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cnc(N)nc1N ZINC000639175461 375618017 /nfs/dbraw/zinc/61/80/17/375618017.db2.gz NGIQSPSPJBZWEP-UHFFFAOYSA-N 2 2 278.404 0.610 20 0 CCADLP C[NH+](C)CCN(Cc1ccco1)Cc1c[nH+]c(N)nc1N ZINC000639173991 375619060 /nfs/dbraw/zinc/61/90/60/375619060.db2.gz LUJMRIZIQFIUBQ-UHFFFAOYSA-N 2 2 290.371 0.459 20 0 CCADLP CC(C)(O)C[NH+]1CCC([NH2+]CC(=O)NC2CC2)CC1 ZINC000639180517 375623244 /nfs/dbraw/zinc/62/32/44/375623244.db2.gz LMLZJWXDPZNTCP-UHFFFAOYSA-N 2 2 269.389 0.090 20 0 CCADLP CC(C)c1nc(N2CCC[NH2+]CC2)nc(N(C)C)[nH+]1 ZINC000574624049 335034519 /nfs/dbraw/zinc/03/45/19/335034519.db2.gz GBBNSOJEDIBZPZ-UHFFFAOYSA-N 2 2 264.377 0.861 20 0 CCADLP CO[C@@H](C[NH2+]C[C@H]1CCC[N@@H+]1CCCO)C1CC1 ZINC000639217099 375638211 /nfs/dbraw/zinc/63/82/11/375638211.db2.gz FNRYVNVWSVGPGX-KGLIPLIRSA-N 2 2 256.390 0.848 20 0 CCADLP CO[C@@H](C[NH2+]C[C@H]1CCC[N@H+]1CCCO)C1CC1 ZINC000639217099 375638213 /nfs/dbraw/zinc/63/82/13/375638213.db2.gz FNRYVNVWSVGPGX-KGLIPLIRSA-N 2 2 256.390 0.848 20 0 CCADLP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000639255993 375667897 /nfs/dbraw/zinc/66/78/97/375667897.db2.gz RJGGDIRMIXEJPS-RYUDHWBXSA-N 2 2 264.373 1.000 20 0 CCADLP Cc1nnsc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000639349842 375751042 /nfs/dbraw/zinc/75/10/42/375751042.db2.gz SNHKLCCETNXZSN-JTQLQIEISA-N 2 2 283.401 0.276 20 0 CCADLP Cc1nnsc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000639349842 375751051 /nfs/dbraw/zinc/75/10/51/375751051.db2.gz SNHKLCCETNXZSN-JTQLQIEISA-N 2 2 283.401 0.276 20 0 CCADLP CCC[N@H+](CCc1c[nH+]cn1C)[C@@H]1CCS(=O)(=O)C1 ZINC000639453062 375789268 /nfs/dbraw/zinc/78/92/68/375789268.db2.gz YNGMZUKQOSZICT-CYBMUJFWSA-N 2 2 285.413 0.862 20 0 CCADLP CCC[N@@H+](CCc1c[nH+]cn1C)[C@@H]1CCS(=O)(=O)C1 ZINC000639453062 375789269 /nfs/dbraw/zinc/78/92/69/375789269.db2.gz YNGMZUKQOSZICT-CYBMUJFWSA-N 2 2 285.413 0.862 20 0 CCADLP CC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000639553902 375833747 /nfs/dbraw/zinc/83/37/47/375833747.db2.gz QYQNFKMBQKZAHJ-OCCSQVGLSA-N 2 2 253.390 0.533 20 0 CCADLP CC(=O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000639553902 375833750 /nfs/dbraw/zinc/83/37/50/375833750.db2.gz QYQNFKMBQKZAHJ-OCCSQVGLSA-N 2 2 253.390 0.533 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](CCc2cnccn2)CC1 ZINC000639661313 375896392 /nfs/dbraw/zinc/89/63/92/375896392.db2.gz RFDWOYAFAPUHLV-UHFFFAOYSA-N 2 2 278.400 0.844 20 0 CCADLP CC(C)[N@H+](CCOCCO)CCc1c[nH+]cn1C ZINC000639626866 375870600 /nfs/dbraw/zinc/87/06/00/375870600.db2.gz ADWWVRDLOUTOES-UHFFFAOYSA-N 2 2 255.362 0.682 20 0 CCADLP CC(C)[N@@H+](CCOCCO)CCc1c[nH+]cn1C ZINC000639626866 375870606 /nfs/dbraw/zinc/87/06/06/375870606.db2.gz ADWWVRDLOUTOES-UHFFFAOYSA-N 2 2 255.362 0.682 20 0 CCADLP C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@@H+]1CCn1cc[nH+]c1 ZINC000639690797 375922095 /nfs/dbraw/zinc/92/20/95/375922095.db2.gz PATKZLJXLQDHLD-GRYCIOLGSA-N 2 2 250.346 0.823 20 0 CCADLP C[C@@H]1C(=O)N(C)[C@H](C)[C@H](C)[N@H+]1CCn1cc[nH+]c1 ZINC000639690797 375922101 /nfs/dbraw/zinc/92/21/01/375922101.db2.gz PATKZLJXLQDHLD-GRYCIOLGSA-N 2 2 250.346 0.823 20 0 CCADLP C[C@@H]1[C@H](C)[N@H+](CCc2c[nH+]cn2C)[C@@H](C)C(=O)N1C ZINC000639691517 375925140 /nfs/dbraw/zinc/92/51/40/375925140.db2.gz UUAWJNZXZVOXPB-WOPDTQHZSA-N 2 2 264.373 0.902 20 0 CCADLP C[C@@H]1[C@H](C)[N@@H+](CCc2c[nH+]cn2C)[C@@H](C)C(=O)N1C ZINC000639691517 375925145 /nfs/dbraw/zinc/92/51/45/375925145.db2.gz UUAWJNZXZVOXPB-WOPDTQHZSA-N 2 2 264.373 0.902 20 0 CCADLP C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)[N@@H+]1CCc1c[nH+]cn1C ZINC000639691515 375925400 /nfs/dbraw/zinc/92/54/00/375925400.db2.gz UUAWJNZXZVOXPB-IJLUTSLNSA-N 2 2 264.373 0.902 20 0 CCADLP C[C@@H]1C(=O)N(C)[C@H](C)[C@@H](C)[N@H+]1CCc1c[nH+]cn1C ZINC000639691515 375925406 /nfs/dbraw/zinc/92/54/06/375925406.db2.gz UUAWJNZXZVOXPB-IJLUTSLNSA-N 2 2 264.373 0.902 20 0 CCADLP Cc1cc(C)n(CC[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)n1 ZINC000639767838 375999706 /nfs/dbraw/zinc/99/97/06/375999706.db2.gz TYYXMTIKOQTFHP-OAHLLOKOSA-N 2 2 280.416 0.888 20 0 CCADLP Cc1cc(C)n(CC[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)n1 ZINC000639767838 375999713 /nfs/dbraw/zinc/99/97/13/375999713.db2.gz TYYXMTIKOQTFHP-OAHLLOKOSA-N 2 2 280.416 0.888 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000639760840 375985902 /nfs/dbraw/zinc/98/59/02/375985902.db2.gz BGUKNHMKQTUNDP-ZBFHGGJFSA-N 2 2 295.427 0.528 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000639760840 375985905 /nfs/dbraw/zinc/98/59/05/375985905.db2.gz BGUKNHMKQTUNDP-ZBFHGGJFSA-N 2 2 295.427 0.528 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCc2cnccn2)C1 ZINC000639761951 375987672 /nfs/dbraw/zinc/98/76/72/375987672.db2.gz IIHBZOAWPRLQGY-AWEZNQCLSA-N 2 2 264.373 0.408 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCc2cnccn2)C1 ZINC000639761951 375987680 /nfs/dbraw/zinc/98/76/80/375987680.db2.gz IIHBZOAWPRLQGY-AWEZNQCLSA-N 2 2 264.373 0.408 20 0 CCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761856 375988844 /nfs/dbraw/zinc/98/88/44/375988844.db2.gz JMXFVENNDRKTAA-ZFWWWQNUSA-N 2 2 285.432 0.632 20 0 CCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761856 375988850 /nfs/dbraw/zinc/98/88/50/375988850.db2.gz JMXFVENNDRKTAA-ZFWWWQNUSA-N 2 2 285.432 0.632 20 0 CCADLP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639763179 375990936 /nfs/dbraw/zinc/99/09/36/375990936.db2.gz WBEAOLFDDIDAKK-DZGCQCFKSA-N 2 2 285.432 0.630 20 0 CCADLP CC(C)N(C)C(=O)[C@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639763179 375990941 /nfs/dbraw/zinc/99/09/41/375990941.db2.gz WBEAOLFDDIDAKK-DZGCQCFKSA-N 2 2 285.432 0.630 20 0 CCADLP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC([NH2+]CCOC)CC1 ZINC000574644255 335036702 /nfs/dbraw/zinc/03/67/02/335036702.db2.gz NPVYDJUGXIJSNW-STQMWFEESA-N 2 2 285.432 0.990 20 0 CCADLP Cc1cccnc1C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051151 376216366 /nfs/dbraw/zinc/21/63/66/376216366.db2.gz JNHVGGCFSFYZRY-UHFFFAOYSA-N 2 2 276.384 0.596 20 0 CCADLP Cc1cccnc1C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051151 376216370 /nfs/dbraw/zinc/21/63/70/376216370.db2.gz JNHVGGCFSFYZRY-UHFFFAOYSA-N 2 2 276.384 0.596 20 0 CCADLP CC[C@@H](C[N@H+](C)CC(=O)N1CC[NH+](C)CC1)OC ZINC000640051561 376217208 /nfs/dbraw/zinc/21/72/08/376217208.db2.gz QPXHBCPIADODJL-LBPRGKRZSA-N 2 2 257.378 0.117 20 0 CCADLP CC[C@@H](C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1)OC ZINC000640051561 376217215 /nfs/dbraw/zinc/21/72/15/376217215.db2.gz QPXHBCPIADODJL-LBPRGKRZSA-N 2 2 257.378 0.117 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000568975541 291637653 /nfs/dbraw/zinc/63/76/53/291637653.db2.gz HGOUACXRSZQQEF-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000131307278 581112277 /nfs/dbraw/zinc/11/22/77/581112277.db2.gz MCYIVNVMQOATAS-UHFFFAOYSA-N 2 2 265.361 0.052 20 0 CCADLP CCc1[nH+]ccn1Cc1cn(Cc2[nH]cc[nH+]2)nn1 ZINC000640755132 376522392 /nfs/dbraw/zinc/52/23/92/376522392.db2.gz SYKYTKDFYGHXRS-UHFFFAOYSA-N 2 2 257.301 0.857 20 0 CCADLP Cc1cccn2cc(Cn3cc([C@@H]([NH3+])CO)nn3)[nH+]c12 ZINC000640954369 376637569 /nfs/dbraw/zinc/63/75/69/376637569.db2.gz ZCLQOMBNSXLAGW-NSHDSACASA-N 2 2 272.312 0.275 20 0 CCADLP FC(F)n1cc[nH+]c1Cn1cc(CN2CC[NH2+]CC2)nn1 ZINC000640954586 376638339 /nfs/dbraw/zinc/63/83/39/376638339.db2.gz VJPTURXMPQMNOW-UHFFFAOYSA-N 2 2 297.313 0.323 20 0 CCADLP COCC[NH2+]CCc1cn(CCCn2cc[nH+]c2)nn1 ZINC000641055697 376724035 /nfs/dbraw/zinc/72/40/35/376724035.db2.gz ZVXCRKNMDRMWNJ-UHFFFAOYSA-N 2 2 278.360 0.343 20 0 CCADLP Nc1cc(Cn2cc(C[N@@H+]3CCC[C@H]3CO)nn2)cc[nH+]1 ZINC000641068043 376736399 /nfs/dbraw/zinc/73/63/99/376736399.db2.gz IHDDHXNMJJYBCG-ZDUSSCGKSA-N 2 2 288.355 0.091 20 0 CCADLP Nc1cc(Cn2cc(C[N@H+]3CCC[C@H]3CO)nn2)cc[nH+]1 ZINC000641068043 376736403 /nfs/dbraw/zinc/73/64/03/376736403.db2.gz IHDDHXNMJJYBCG-ZDUSSCGKSA-N 2 2 288.355 0.091 20 0 CCADLP CC(C)[N@@H+]1CCCC[C@H]1Cn1cc(C[NH+](C)CCO)nn1 ZINC000641169125 376838692 /nfs/dbraw/zinc/83/86/92/376838692.db2.gz KJXKIBGKLLNAOB-HNNXBMFYSA-N 2 2 295.431 0.965 20 0 CCADLP CC(C)[N@H+]1CCCC[C@H]1Cn1cc(C[NH+](C)CCO)nn1 ZINC000641169125 376838699 /nfs/dbraw/zinc/83/86/99/376838699.db2.gz KJXKIBGKLLNAOB-HNNXBMFYSA-N 2 2 295.431 0.965 20 0 CCADLP CC(C)[NH+]1CCCC[C@H]1Cn1cc(C[N@H+](C)CCO)nn1 ZINC000641169125 376838703 /nfs/dbraw/zinc/83/87/03/376838703.db2.gz KJXKIBGKLLNAOB-HNNXBMFYSA-N 2 2 295.431 0.965 20 0 CCADLP CC(C)[NH+]1CCCC[C@H]1Cn1cc(C[N@@H+](C)CCO)nn1 ZINC000641169125 376838707 /nfs/dbraw/zinc/83/87/07/376838707.db2.gz KJXKIBGKLLNAOB-HNNXBMFYSA-N 2 2 295.431 0.965 20 0 CCADLP CC(C)Oc1cc[nH+]c(Cn2cc(C[C@@H]([NH3+])CO)nn2)c1 ZINC000641205490 376879962 /nfs/dbraw/zinc/87/99/62/376879962.db2.gz XCBKPIUBVFVKQQ-LLVKDONJSA-N 2 2 291.355 0.371 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)N[C@H]1CCC[C@H]([NH3+])C1)CC2 ZINC000641227308 376922825 /nfs/dbraw/zinc/92/28/25/376922825.db2.gz QYEXQDWPUVQSDO-RYUDHWBXSA-N 2 2 277.372 0.987 20 0 CCADLP OCc1cc[nH+]c(N2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000641398914 377071695 /nfs/dbraw/zinc/07/16/95/377071695.db2.gz KZSJCPQRXFPVEK-AWEZNQCLSA-N 2 2 277.368 0.732 20 0 CCADLP C[C@H](CNS(=O)(=O)CCn1cc[nH+]c1)C[NH+](C)C ZINC000641508369 377193812 /nfs/dbraw/zinc/19/38/12/377193812.db2.gz OPLJARWSKKVBPJ-LLVKDONJSA-N 2 2 274.390 0.000 20 0 CCADLP C[C@H](Nc1cc(CO)cc[nH+]1)[C@H]1C[N@H+](C)CCO1 ZINC000641449717 377132307 /nfs/dbraw/zinc/13/23/07/377132307.db2.gz MLMHSQMIGYBSIU-CMPLNLGQSA-N 2 2 251.330 0.705 20 0 CCADLP C[C@H](Nc1cc(CO)cc[nH+]1)[C@H]1C[N@@H+](C)CCO1 ZINC000641449717 377132319 /nfs/dbraw/zinc/13/23/19/377132319.db2.gz MLMHSQMIGYBSIU-CMPLNLGQSA-N 2 2 251.330 0.705 20 0 CCADLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC000641801910 377471047 /nfs/dbraw/zinc/47/10/47/377471047.db2.gz GREYZZPZQXEEAC-UWVGGRQHSA-N 2 2 261.329 0.238 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000641801634 377471296 /nfs/dbraw/zinc/47/12/96/377471296.db2.gz DAOCPKWOMKBGKP-BYNSBNAKSA-N 3 2 277.412 0.633 20 0 CCADLP Cc1ccc(NCCCNC(=O)NCC[NH+]2CCC2)[nH+]c1 ZINC000337390608 249003845 /nfs/dbraw/zinc/00/38/45/249003845.db2.gz KNDNDXKVJPDEAK-UHFFFAOYSA-N 2 2 291.399 0.619 20 0 CCADLP CC1CC[NH+](CCNC[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000515055604 249118378 /nfs/dbraw/zinc/11/83/78/249118378.db2.gz XYYOGIOESUULAJ-HNNXBMFYSA-N 2 2 285.432 0.001 20 0 CCADLP Cc1[nH+]cc(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)n1C ZINC000515171087 249122251 /nfs/dbraw/zinc/12/22/51/249122251.db2.gz GDNNUMYWCBJHOH-LBPRGKRZSA-N 3 2 265.405 0.454 20 0 CCADLP CC(=O)NC[C@H]1C[N@H+](CCCc2c[nH+]cn2C)CCO1 ZINC000515496379 249136888 /nfs/dbraw/zinc/13/68/88/249136888.db2.gz NPEZSOQWXJANDC-AWEZNQCLSA-N 2 2 280.372 0.190 20 0 CCADLP CC(=O)NC[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)CCO1 ZINC000515496379 249136890 /nfs/dbraw/zinc/13/68/90/249136890.db2.gz NPEZSOQWXJANDC-AWEZNQCLSA-N 2 2 280.372 0.190 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCc2cccc(F)c2)[C@H](C[NH3+])C1 ZINC000515521395 249137731 /nfs/dbraw/zinc/13/77/31/249137731.db2.gz ONDXGEKIYOJTMN-CYBMUJFWSA-N 2 2 280.347 0.610 20 0 CCADLP C[N@H+]1CCN(C(=O)NCc2cccc(F)c2)[C@H](C[NH3+])C1 ZINC000515521395 249137734 /nfs/dbraw/zinc/13/77/34/249137734.db2.gz ONDXGEKIYOJTMN-CYBMUJFWSA-N 2 2 280.347 0.610 20 0 CCADLP Cc1ccc2[nH+]cc(CN3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)n2c1 ZINC000516878847 249186324 /nfs/dbraw/zinc/18/63/24/249186324.db2.gz YDJNQTJSAWJFCK-OCCSQVGLSA-N 2 2 299.378 0.387 20 0 CCADLP Cc1ccc2ncc(C[N@@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)n2c1 ZINC000516878847 249186328 /nfs/dbraw/zinc/18/63/28/249186328.db2.gz YDJNQTJSAWJFCK-OCCSQVGLSA-N 2 2 299.378 0.387 20 0 CCADLP Cc1ccc2ncc(C[N@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)n2c1 ZINC000516878847 249186330 /nfs/dbraw/zinc/18/63/30/249186330.db2.gz YDJNQTJSAWJFCK-OCCSQVGLSA-N 2 2 299.378 0.387 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(CC(=O)NC)CC1 ZINC000517008546 249197613 /nfs/dbraw/zinc/19/76/13/249197613.db2.gz VOMMKUIVAGUGHS-ZDUSSCGKSA-N 2 2 271.405 0.147 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(CC(=O)NC)CC1 ZINC000517008546 249197616 /nfs/dbraw/zinc/19/76/16/249197616.db2.gz VOMMKUIVAGUGHS-ZDUSSCGKSA-N 2 2 271.405 0.147 20 0 CCADLP C[C@@H](CNC(=O)[C@H]([NH3+])c1cscn1)[NH+]1CCCC1 ZINC000517932544 249234872 /nfs/dbraw/zinc/23/48/72/249234872.db2.gz NGPKMPYNKQVMSH-GXSJLCMTSA-N 2 2 268.386 0.743 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000517756706 249229451 /nfs/dbraw/zinc/22/94/51/249229451.db2.gz LIFCSTXSSJWCQF-XHDPSFHLSA-N 2 2 292.383 0.161 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000517756706 249229455 /nfs/dbraw/zinc/22/94/55/249229455.db2.gz LIFCSTXSSJWCQF-XHDPSFHLSA-N 2 2 292.383 0.161 20 0 CCADLP C[C@@H]1C[NH2+][C@@H](C)CN1c1cc(N2CCOCC2)[nH+]cn1 ZINC000643023087 377692025 /nfs/dbraw/zinc/69/20/25/377692025.db2.gz NIQKLNYMHCHBIB-NWDGAFQWSA-N 2 2 277.372 0.500 20 0 CCADLP C[C@H]([NH3+])CNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000643035775 377700046 /nfs/dbraw/zinc/70/00/46/377700046.db2.gz ZVQGQSBLKMIRTD-WDEREUQCSA-N 2 2 265.361 0.587 20 0 CCADLP C[C@@H]1CN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)C[C@H]1[NH3+] ZINC000643050642 377707213 /nfs/dbraw/zinc/70/72/13/377707213.db2.gz DJIXAHJZAFJQSB-JHJVBQTASA-N 2 2 291.399 0.611 20 0 CCADLP CCNC(=O)C[N@H+](C)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000643057186 377708795 /nfs/dbraw/zinc/70/87/95/377708795.db2.gz VQJGOKJIBDXDPJ-ZDUSSCGKSA-N 2 2 279.384 0.805 20 0 CCADLP CCNC(=O)C[N@@H+](C)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000643057186 377708800 /nfs/dbraw/zinc/70/88/00/377708800.db2.gz VQJGOKJIBDXDPJ-ZDUSSCGKSA-N 2 2 279.384 0.805 20 0 CCADLP CCN(CC)C(=O)[C@@H](C)[NH+]1CCC([NH2+]CCOC)CC1 ZINC000569583590 291690710 /nfs/dbraw/zinc/69/07/10/291690710.db2.gz UDSGCVMCJINGMV-CYBMUJFWSA-N 2 2 285.432 0.944 20 0 CCADLP Cc1nc(N)c(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c[nH+]1 ZINC000569579523 291690340 /nfs/dbraw/zinc/69/03/40/291690340.db2.gz YRYJQSAYMLXPCG-NXEZZACHSA-N 2 2 277.372 0.687 20 0 CCADLP CCN(CC)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000657090254 412885934 /nfs/dbraw/zinc/88/59/34/412885934.db2.gz AVZXVCVRBZEYGX-UHFFFAOYSA-N 2 2 258.410 0.921 20 0 CCADLP CCN(CC)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000657090254 412885936 /nfs/dbraw/zinc/88/59/36/412885936.db2.gz AVZXVCVRBZEYGX-UHFFFAOYSA-N 2 2 258.410 0.921 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)C1(C)CC1 ZINC000657092990 412886615 /nfs/dbraw/zinc/88/66/15/412886615.db2.gz VSWMZRKXFHISKW-UHFFFAOYSA-N 2 2 277.434 0.342 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)C1(C)CC1 ZINC000657092990 412886616 /nfs/dbraw/zinc/88/66/16/412886616.db2.gz VSWMZRKXFHISKW-UHFFFAOYSA-N 2 2 277.434 0.342 20 0 CCADLP C[C@@H]([NH2+]C1CC[NH+](CC(=O)N(C)C)CC1)c1ccnn1C ZINC000278719970 194120311 /nfs/dbraw/zinc/12/03/11/194120311.db2.gz MFMIUJWTCBVPJR-GFCCVEGCSA-N 2 2 293.415 0.623 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH+]1CCCCC1 ZINC000278862998 194186996 /nfs/dbraw/zinc/18/69/96/194186996.db2.gz MKAXSWVGJLQQLT-UHFFFAOYSA-N 2 2 250.346 0.863 20 0 CCADLP C[N@H+]1C[C@H]2CN(C(=O)c3ccnc(-n4cc[nH+]c4)c3)C[C@H]2C1 ZINC000278962827 194230932 /nfs/dbraw/zinc/23/09/32/194230932.db2.gz BAWPCYGPTPNGDO-OKILXGFUSA-N 2 2 297.362 0.901 20 0 CCADLP C[N@@H+]1C[C@H]2CN(C(=O)c3ccnc(-n4cc[nH+]c4)c3)C[C@H]2C1 ZINC000278962827 194230934 /nfs/dbraw/zinc/23/09/34/194230934.db2.gz BAWPCYGPTPNGDO-OKILXGFUSA-N 2 2 297.362 0.901 20 0 CCADLP O=C(C[C@@H]1CC[NH2+]C1)NCCc1cn2ccccc2[nH+]1 ZINC000130356404 284784148 /nfs/dbraw/zinc/78/41/48/284784148.db2.gz AQIQKNZCTYQXIZ-LBPRGKRZSA-N 2 2 272.352 0.993 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C ZINC000279115076 194289598 /nfs/dbraw/zinc/28/95/98/194289598.db2.gz CKEDCLOTWPRHKE-RYUDHWBXSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1C ZINC000279115076 194289601 /nfs/dbraw/zinc/28/96/01/194289601.db2.gz CKEDCLOTWPRHKE-RYUDHWBXSA-N 2 2 280.372 0.256 20 0 CCADLP [NH3+][C@@H](C(=O)N[C@H]1CCC[NH2+]C1)c1c(F)cccc1F ZINC000334961842 207370656 /nfs/dbraw/zinc/37/06/56/207370656.db2.gz NMNLORAROGWOBF-QPUJVOFHSA-N 2 2 269.295 0.833 20 0 CCADLP CSC[C@H](C)[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000571197968 291797959 /nfs/dbraw/zinc/79/79/59/291797959.db2.gz CCCYBGPBKSGXKI-LOWDOPEQSA-N 2 2 276.446 0.798 20 0 CCADLP Cc1nc2n(n1)C[C@@H]([NH2+]Cc1c[nH+]c3n1CCC3)CC2 ZINC000657344013 412965203 /nfs/dbraw/zinc/96/52/03/412965203.db2.gz TYNPFLBFYCSGAA-NSHDSACASA-N 2 2 272.356 0.834 20 0 CCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)C12CCC[NH+]1CCC2 ZINC000335034811 207513183 /nfs/dbraw/zinc/51/31/83/207513183.db2.gz YBENCWPSTYIKJM-NSHDSACASA-N 2 2 287.354 0.976 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000246940663 285037988 /nfs/dbraw/zinc/03/79/88/285037988.db2.gz HQFGDVHPOXOZOP-GJZGRUSLSA-N 3 2 296.459 0.470 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000246940663 285037990 /nfs/dbraw/zinc/03/79/90/285037990.db2.gz HQFGDVHPOXOZOP-GJZGRUSLSA-N 3 2 296.459 0.470 20 0 CCADLP C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)CC1=O ZINC000657380186 412977248 /nfs/dbraw/zinc/97/72/48/412977248.db2.gz GYTGBOKZHFZZCT-NTZNESFSSA-N 2 2 274.368 0.928 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000249390398 285113858 /nfs/dbraw/zinc/11/38/58/285113858.db2.gz QTOMRGQORJLVBZ-KBUPBQIOSA-N 2 2 297.443 0.773 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N1CC[NH2+][C@H](C)C1 ZINC000418221261 533076773 /nfs/dbraw/zinc/07/67/73/533076773.db2.gz VNINYRMNRYJBMF-SNVBAGLBSA-N 2 2 264.329 0.594 20 0 CCADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CC[C@H](C(=O)N(C)C)O2)n1C ZINC000657426497 412989709 /nfs/dbraw/zinc/98/97/09/412989709.db2.gz GJFGNUAEZCRDTE-QWHCGFSZSA-N 2 2 280.372 0.454 20 0 CCADLP C[C@H]1CC[N@H+](CCCn2cc[nH+]c2)[C@@H](C(N)=O)C1 ZINC000249583377 285129573 /nfs/dbraw/zinc/12/95/73/285129573.db2.gz SARIBNMAYFTFCY-NWDGAFQWSA-N 2 2 250.346 0.859 20 0 CCADLP C[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)[C@@H](C(N)=O)C1 ZINC000249583377 285129578 /nfs/dbraw/zinc/12/95/78/285129578.db2.gz SARIBNMAYFTFCY-NWDGAFQWSA-N 2 2 250.346 0.859 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000249617645 285134544 /nfs/dbraw/zinc/13/45/44/285134544.db2.gz TWPSUKFFIAAPLY-LSDHHAIUSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000249617645 285134545 /nfs/dbraw/zinc/13/45/45/285134545.db2.gz TWPSUKFFIAAPLY-LSDHHAIUSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCN1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000249617645 285134547 /nfs/dbraw/zinc/13/45/47/285134547.db2.gz TWPSUKFFIAAPLY-LSDHHAIUSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCN1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000249617645 285134549 /nfs/dbraw/zinc/13/45/49/285134549.db2.gz TWPSUKFFIAAPLY-LSDHHAIUSA-N 2 2 299.459 0.484 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000415572073 533087409 /nfs/dbraw/zinc/08/74/09/533087409.db2.gz UNRJJCIHMLOAET-UWVGGRQHSA-N 2 2 292.339 0.238 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccnc3N)C2)CC1 ZINC000289245210 197273405 /nfs/dbraw/zinc/27/34/05/197273405.db2.gz BAYKOHJXBKKCGQ-OAHLLOKOSA-N 2 2 289.427 0.876 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccnc3N)C2)CC1 ZINC000289245210 197273407 /nfs/dbraw/zinc/27/34/07/197273407.db2.gz BAYKOHJXBKKCGQ-OAHLLOKOSA-N 2 2 289.427 0.876 20 0 CCADLP C[NH+](C)[C@@]1(CNC(=O)CCc2[nH]cc[nH+]2)CCSC1 ZINC000289102068 197235079 /nfs/dbraw/zinc/23/50/79/197235079.db2.gz FWMJARRXBGKBGH-CYBMUJFWSA-N 2 2 282.413 0.896 20 0 CCADLP [NH3+]CC(F)(F)CC(=O)NCC[NH+]1CCSCC1 ZINC000572777349 291903646 /nfs/dbraw/zinc/90/36/46/291903646.db2.gz ZIHLZQWLTBAQPN-UHFFFAOYSA-N 2 2 267.345 0.136 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000246453320 285258524 /nfs/dbraw/zinc/25/85/24/285258524.db2.gz UQRWYAFEMDCHNX-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000246453320 285258525 /nfs/dbraw/zinc/25/85/25/285258525.db2.gz UQRWYAFEMDCHNX-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H]2CN(C)C(=O)O2)C1 ZINC000496160795 285264772 /nfs/dbraw/zinc/26/47/72/285264772.db2.gz WEVBOIROUQAZPZ-NEPJUHHUSA-N 2 2 255.362 0.711 20 0 CCADLP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2CN(C)C(=O)O2)C1 ZINC000496160795 285264773 /nfs/dbraw/zinc/26/47/73/285264773.db2.gz WEVBOIROUQAZPZ-NEPJUHHUSA-N 2 2 255.362 0.711 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CN(C)C(=O)O2)C1 ZINC000496160795 285264774 /nfs/dbraw/zinc/26/47/74/285264774.db2.gz WEVBOIROUQAZPZ-NEPJUHHUSA-N 2 2 255.362 0.711 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CN(C)C(=O)O2)C1 ZINC000496160795 285264775 /nfs/dbraw/zinc/26/47/75/285264775.db2.gz WEVBOIROUQAZPZ-NEPJUHHUSA-N 2 2 255.362 0.711 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCN1CCCC1=O ZINC000521885055 285295142 /nfs/dbraw/zinc/29/51/42/285295142.db2.gz LUDJLKJERNQLNM-WCQYABFASA-N 2 2 251.374 0.681 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCN1CCCC1=O ZINC000521885055 285295145 /nfs/dbraw/zinc/29/51/45/285295145.db2.gz LUDJLKJERNQLNM-WCQYABFASA-N 2 2 251.374 0.681 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000522286957 285297451 /nfs/dbraw/zinc/29/74/51/285297451.db2.gz WZVCRJXIROVHII-LBPRGKRZSA-N 2 2 257.378 0.165 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000522286957 285297453 /nfs/dbraw/zinc/29/74/53/285297453.db2.gz WZVCRJXIROVHII-LBPRGKRZSA-N 2 2 257.378 0.165 20 0 CCADLP CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000657602247 413034533 /nfs/dbraw/zinc/03/45/33/413034533.db2.gz FGYMBPVQGXBWFC-NWDGAFQWSA-N 2 2 295.364 0.236 20 0 CCADLP CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657606252 413036402 /nfs/dbraw/zinc/03/64/02/413036402.db2.gz SFJJSQLCOKYJGY-ZDEQEGDKSA-N 2 2 288.413 0.015 20 0 CCADLP CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657606252 413036409 /nfs/dbraw/zinc/03/64/09/413036409.db2.gz SFJJSQLCOKYJGY-ZDEQEGDKSA-N 2 2 288.413 0.015 20 0 CCADLP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C1(CO)CC1 ZINC000657606678 413036436 /nfs/dbraw/zinc/03/64/36/413036436.db2.gz ADKUOMMOOIKRJD-SNVBAGLBSA-N 2 2 252.362 0.737 20 0 CCADLP CC[N@@H+]1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)[C@@H](C)C1 ZINC000286460333 388841113 /nfs/dbraw/zinc/84/11/13/388841113.db2.gz UXXHYFDDJOITDC-NSHDSACASA-N 2 2 287.371 0.775 20 0 CCADLP CC[N@H+]1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)[C@@H](C)C1 ZINC000286460333 388841118 /nfs/dbraw/zinc/84/11/18/388841118.db2.gz UXXHYFDDJOITDC-NSHDSACASA-N 2 2 287.371 0.775 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000186788761 388851438 /nfs/dbraw/zinc/85/14/38/388851438.db2.gz CEHRJTZEYYDXFR-KGLIPLIRSA-N 2 2 283.416 0.386 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000186788761 388851441 /nfs/dbraw/zinc/85/14/41/388851441.db2.gz CEHRJTZEYYDXFR-KGLIPLIRSA-N 2 2 283.416 0.386 20 0 CCADLP Cc1cc(NC(=O)CC[N@@H+]2CCC[C@@H]([NH3+])C2)no1 ZINC000041029304 388860558 /nfs/dbraw/zinc/86/05/58/388860558.db2.gz SACZSKVBPTZGKL-SNVBAGLBSA-N 2 2 252.318 0.735 20 0 CCADLP Cc1cc(NC(=O)CC[N@H+]2CCC[C@@H]([NH3+])C2)no1 ZINC000041029304 388860561 /nfs/dbraw/zinc/86/05/61/388860561.db2.gz SACZSKVBPTZGKL-SNVBAGLBSA-N 2 2 252.318 0.735 20 0 CCADLP O=C(NCCn1cc[nH+]c1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000041120060 388861836 /nfs/dbraw/zinc/86/18/36/388861836.db2.gz PGXUOUSRHWYFCB-AGIUHOORSA-N 2 2 262.357 0.920 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)[C@@H](c2ccccc2)C1 ZINC000043707462 388869971 /nfs/dbraw/zinc/86/99/71/388869971.db2.gz RXKYVWVOBOWIHQ-CABCVRRESA-N 2 2 289.379 0.490 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)[C@@H](c2ccccc2)C1 ZINC000043707462 388869976 /nfs/dbraw/zinc/86/99/76/388869976.db2.gz RXKYVWVOBOWIHQ-CABCVRRESA-N 2 2 289.379 0.490 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCN(c2cccnn2)CC1 ZINC000290054303 388899569 /nfs/dbraw/zinc/89/95/69/388899569.db2.gz OZJWFZQZJWJPRV-UHFFFAOYSA-N 2 2 272.356 0.575 20 0 CCADLP CC(C)[C@H](CNC(=O)c1coc(C[NH3+])c1)[NH+]1CCOCC1 ZINC000188053332 388911738 /nfs/dbraw/zinc/91/17/38/388911738.db2.gz JJFARCPIVMQVMH-AWEZNQCLSA-N 2 2 295.383 0.825 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2c[nH+]cn2C)[C@@H](C)C1 ZINC000292437763 388949388 /nfs/dbraw/zinc/94/93/88/388949388.db2.gz VMWIWLSALXTFJZ-RYUDHWBXSA-N 2 2 295.387 0.017 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NCc2c[nH+]cn2C)[C@@H](C)C1 ZINC000292437763 388949390 /nfs/dbraw/zinc/94/93/90/388949390.db2.gz VMWIWLSALXTFJZ-RYUDHWBXSA-N 2 2 295.387 0.017 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000189198554 388950875 /nfs/dbraw/zinc/95/08/75/388950875.db2.gz QTOMRGQORJLVBZ-XGUBFFRZSA-N 2 2 297.443 0.773 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000189198554 388950877 /nfs/dbraw/zinc/95/08/77/388950877.db2.gz QTOMRGQORJLVBZ-XGUBFFRZSA-N 2 2 297.443 0.773 20 0 CCADLP CC(C)C[NH+]1CCN(CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000191377423 389010543 /nfs/dbraw/zinc/01/05/43/389010543.db2.gz LUXZDIQMFQCPMR-HNNXBMFYSA-N 2 2 269.433 0.981 20 0 CCADLP CC(C)C[NH+]1CCN(CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000191377423 389010545 /nfs/dbraw/zinc/01/05/45/389010545.db2.gz LUXZDIQMFQCPMR-HNNXBMFYSA-N 2 2 269.433 0.981 20 0 CCADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+]([C@@H]2CCCNC2=O)C1 ZINC000336798754 389020878 /nfs/dbraw/zinc/02/08/78/389020878.db2.gz GGLXKVJQZDPBNG-UONOGXRCSA-N 2 2 265.401 0.929 20 0 CCADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+]([C@@H]2CCCNC2=O)C1 ZINC000336798754 389020885 /nfs/dbraw/zinc/02/08/85/389020885.db2.gz GGLXKVJQZDPBNG-UONOGXRCSA-N 2 2 265.401 0.929 20 0 CCADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC000336798754 389020889 /nfs/dbraw/zinc/02/08/89/389020889.db2.gz GGLXKVJQZDPBNG-UONOGXRCSA-N 2 2 265.401 0.929 20 0 CCADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC000336798754 389020895 /nfs/dbraw/zinc/02/08/95/389020895.db2.gz GGLXKVJQZDPBNG-UONOGXRCSA-N 2 2 265.401 0.929 20 0 CCADLP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000355300321 389057090 /nfs/dbraw/zinc/05/70/90/389057090.db2.gz BRCQSTWDQCVRIB-CQSZACIVSA-N 2 2 285.432 0.753 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000355308353 389057544 /nfs/dbraw/zinc/05/75/44/389057544.db2.gz ASCWSGIYQNLRNS-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000355308353 389057545 /nfs/dbraw/zinc/05/75/45/389057545.db2.gz ASCWSGIYQNLRNS-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)CCn1cc[nH+]c1 ZINC000355330988 389061693 /nfs/dbraw/zinc/06/16/93/389061693.db2.gz FQDOIEICQPAGMH-AWEZNQCLSA-N 2 2 294.399 0.842 20 0 CCADLP NC(=O)c1c[nH+]ccc1N1CCN(c2cccc[nH+]2)CC1 ZINC000302037961 389061946 /nfs/dbraw/zinc/06/19/46/389061946.db2.gz QDBHOGIITCCCMK-UHFFFAOYSA-N 2 2 283.335 0.902 20 0 CCADLP CC1CC[NH+](CCNC(=O)NCCn2cc[nH+]c2)CC1 ZINC000298645816 389038386 /nfs/dbraw/zinc/03/83/86/389038386.db2.gz JQTQNBVDEWBDDE-UHFFFAOYSA-N 2 2 279.388 0.914 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000194268163 389091906 /nfs/dbraw/zinc/09/19/06/389091906.db2.gz RWGGOIHPCWTYIB-ZDUSSCGKSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000358166094 389144197 /nfs/dbraw/zinc/14/41/97/389144197.db2.gz WICYKBGFVWIFFD-WQVCFCJDSA-N 2 2 279.428 0.922 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000358166094 389144201 /nfs/dbraw/zinc/14/42/01/389144201.db2.gz WICYKBGFVWIFFD-WQVCFCJDSA-N 2 2 279.428 0.922 20 0 CCADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000358166094 389144204 /nfs/dbraw/zinc/14/42/04/389144204.db2.gz WICYKBGFVWIFFD-WQVCFCJDSA-N 2 2 279.428 0.922 20 0 CCADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000358166094 389144207 /nfs/dbraw/zinc/14/42/07/389144207.db2.gz WICYKBGFVWIFFD-WQVCFCJDSA-N 2 2 279.428 0.922 20 0 CCADLP C[NH2+][C@@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000311716515 389104613 /nfs/dbraw/zinc/10/46/13/389104613.db2.gz XBNSMZMDCNQULU-DZGCQCFKSA-N 2 2 291.395 0.612 20 0 CCADLP C[NH2+][C@@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000311716515 389104616 /nfs/dbraw/zinc/10/46/16/389104616.db2.gz XBNSMZMDCNQULU-DZGCQCFKSA-N 2 2 291.395 0.612 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1cccc(CO)c1)C1CC1 ZINC000311837846 389105157 /nfs/dbraw/zinc/10/51/57/389105157.db2.gz MYIYNDBKRZZJPQ-HNNXBMFYSA-N 2 2 264.369 0.724 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1cccc(CO)c1)C1CC1 ZINC000311837846 389105159 /nfs/dbraw/zinc/10/51/59/389105159.db2.gz MYIYNDBKRZZJPQ-HNNXBMFYSA-N 2 2 264.369 0.724 20 0 CCADLP COC(=O)C(C)(C)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338284037 389105661 /nfs/dbraw/zinc/10/56/61/389105661.db2.gz JRWANJRFLNTEHB-UHFFFAOYSA-N 2 2 285.388 0.034 20 0 CCADLP COC(=O)C(C)(C)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338284037 389105663 /nfs/dbraw/zinc/10/56/63/389105663.db2.gz JRWANJRFLNTEHB-UHFFFAOYSA-N 2 2 285.388 0.034 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000226429522 389147879 /nfs/dbraw/zinc/14/78/79/389147879.db2.gz UZVHSAWILDVDBO-OLZOCXBDSA-N 2 2 298.431 0.016 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000226429522 389147883 /nfs/dbraw/zinc/14/78/83/389147883.db2.gz UZVHSAWILDVDBO-OLZOCXBDSA-N 2 2 298.431 0.016 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)NCc2ccccc2)CCCO1 ZINC000313403771 389113981 /nfs/dbraw/zinc/11/39/81/389113981.db2.gz VQVBVPXXAPDZBA-CQSZACIVSA-N 2 2 277.368 0.352 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NCc2ccccc2)CCCO1 ZINC000313403771 389113984 /nfs/dbraw/zinc/11/39/84/389113984.db2.gz VQVBVPXXAPDZBA-CQSZACIVSA-N 2 2 277.368 0.352 20 0 CCADLP COCCCNC(=O)C[N@@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000316103826 389119234 /nfs/dbraw/zinc/11/92/34/389119234.db2.gz LHCWLTIQCOIDAR-XQQFMLRXSA-N 2 2 271.405 0.587 20 0 CCADLP COCCCNC(=O)C[N@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000316103826 389119237 /nfs/dbraw/zinc/11/92/37/389119237.db2.gz LHCWLTIQCOIDAR-XQQFMLRXSA-N 2 2 271.405 0.587 20 0 CCADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000357143476 389131998 /nfs/dbraw/zinc/13/19/98/389131998.db2.gz KGCHQTHDFOBZBD-QWHCGFSZSA-N 2 2 282.432 0.269 20 0 CCADLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)NCC3CC3)C2)C1 ZINC000339432701 389133796 /nfs/dbraw/zinc/13/37/96/389133796.db2.gz KQUCMQYRDNDZJS-HNNXBMFYSA-N 2 2 265.401 0.930 20 0 CCADLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)NCC3CC3)C2)C1 ZINC000339432701 389133798 /nfs/dbraw/zinc/13/37/98/389133798.db2.gz KQUCMQYRDNDZJS-HNNXBMFYSA-N 2 2 265.401 0.930 20 0 CCADLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)NCC3CC3)C2)C1 ZINC000339432701 389133800 /nfs/dbraw/zinc/13/38/00/389133800.db2.gz KQUCMQYRDNDZJS-HNNXBMFYSA-N 2 2 265.401 0.930 20 0 CCADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)NCC3CC3)C2)C1 ZINC000339432701 389133802 /nfs/dbraw/zinc/13/38/02/389133802.db2.gz KQUCMQYRDNDZJS-HNNXBMFYSA-N 2 2 265.401 0.930 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1nccn1C ZINC000341706830 389191265 /nfs/dbraw/zinc/19/12/65/389191265.db2.gz IKYQUOFRLWPEED-STQMWFEESA-N 2 2 293.415 0.658 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1nccn1C ZINC000341706830 389191266 /nfs/dbraw/zinc/19/12/66/389191266.db2.gz IKYQUOFRLWPEED-STQMWFEESA-N 2 2 293.415 0.658 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1(C)COC1 ZINC000360448359 389198330 /nfs/dbraw/zinc/19/83/30/389198330.db2.gz ZXTHXEZETKHYKY-UHFFFAOYSA-N 2 2 283.416 0.507 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1(C)COC1 ZINC000360448359 389198334 /nfs/dbraw/zinc/19/83/34/389198334.db2.gz ZXTHXEZETKHYKY-UHFFFAOYSA-N 2 2 283.416 0.507 20 0 CCADLP CC(C)(CNC(=O)c1ccnc(C[NH3+])c1)[NH+]1CCOCC1 ZINC000130175891 389200323 /nfs/dbraw/zinc/20/03/23/389200323.db2.gz DKWIFKMNCREESA-UHFFFAOYSA-N 2 2 292.383 0.381 20 0 CCADLP Cc1cccc(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000122566336 389152547 /nfs/dbraw/zinc/15/25/47/389152547.db2.gz JRWUNRXQGHQAQU-AWEZNQCLSA-N 2 2 261.369 0.639 20 0 CCADLP Cc1cccc(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000122566336 389152550 /nfs/dbraw/zinc/15/25/50/389152550.db2.gz JRWUNRXQGHQAQU-AWEZNQCLSA-N 2 2 261.369 0.639 20 0 CCADLP C[NH+](C)CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000340117463 389153258 /nfs/dbraw/zinc/15/32/58/389153258.db2.gz QGSHFFICZJQSNO-UHFFFAOYSA-N 3 2 282.432 0.223 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@@H](O)CC1CCCC1 ZINC000232131833 389161675 /nfs/dbraw/zinc/16/16/75/389161675.db2.gz ZCEHKUKRQRGVHC-GJZGRUSLSA-N 2 2 269.433 0.763 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H](O)CC1CCCC1 ZINC000232131833 389161677 /nfs/dbraw/zinc/16/16/77/389161677.db2.gz ZCEHKUKRQRGVHC-GJZGRUSLSA-N 2 2 269.433 0.763 20 0 CCADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000359034562 389165288 /nfs/dbraw/zinc/16/52/88/389165288.db2.gz IJBXNVQGXYUJRP-NWDGAFQWSA-N 2 2 274.430 0.884 20 0 CCADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000359034562 389165290 /nfs/dbraw/zinc/16/52/90/389165290.db2.gz IJBXNVQGXYUJRP-NWDGAFQWSA-N 2 2 274.430 0.884 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000340987672 389175571 /nfs/dbraw/zinc/17/55/71/389175571.db2.gz PLXSTUHVQGUOMM-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000340987672 389175575 /nfs/dbraw/zinc/17/55/75/389175575.db2.gz PLXSTUHVQGUOMM-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)C[C@@H]1[NH+]1CCOCC1 ZINC000342774932 389252877 /nfs/dbraw/zinc/25/28/77/389252877.db2.gz DXQPWNUKYPCBOO-QPSCCSFWSA-N 2 2 295.427 0.363 20 0 CCADLP C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C[C@@H]1[NH+]1CCOCC1 ZINC000342774932 389252881 /nfs/dbraw/zinc/25/28/81/389252881.db2.gz DXQPWNUKYPCBOO-QPSCCSFWSA-N 2 2 295.427 0.363 20 0 CCADLP C[NH+](C)CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364401954 389262185 /nfs/dbraw/zinc/26/21/85/389262185.db2.gz WEHWIVWJSGVFRO-NSHDSACASA-N 2 2 250.346 0.513 20 0 CCADLP C[C@@H]1C[N@@H+](C)CCN1CC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000343318129 389264497 /nfs/dbraw/zinc/26/44/97/389264497.db2.gz WVBQDKJQUXFOAB-MCIONIFRSA-N 2 2 253.390 0.486 20 0 CCADLP C[C@@H]1C[NH+](C)CCN1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000343318129 389264502 /nfs/dbraw/zinc/26/45/02/389264502.db2.gz WVBQDKJQUXFOAB-MCIONIFRSA-N 2 2 253.390 0.486 20 0 CCADLP C[C@@H]1C[NH+](C)CCN1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000343318129 389264507 /nfs/dbraw/zinc/26/45/07/389264507.db2.gz WVBQDKJQUXFOAB-MCIONIFRSA-N 2 2 253.390 0.486 20 0 CCADLP CC(C)[N@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@@H]1CCOC1 ZINC000361416682 389216147 /nfs/dbraw/zinc/21/61/47/389216147.db2.gz UGCLHHCHJXDDCC-KGLIPLIRSA-N 2 2 256.390 0.941 20 0 CCADLP CC(C)[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@@H]1CCOC1 ZINC000361416682 389216149 /nfs/dbraw/zinc/21/61/49/389216149.db2.gz UGCLHHCHJXDDCC-KGLIPLIRSA-N 2 2 256.390 0.941 20 0 CCADLP CC(C)[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@@H]1CCOC1 ZINC000361416682 389216151 /nfs/dbraw/zinc/21/61/51/389216151.db2.gz UGCLHHCHJXDDCC-KGLIPLIRSA-N 2 2 256.390 0.941 20 0 CCADLP CC(C)[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCOC1 ZINC000361416682 389216153 /nfs/dbraw/zinc/21/61/53/389216153.db2.gz UGCLHHCHJXDDCC-KGLIPLIRSA-N 2 2 256.390 0.941 20 0 CCADLP CNC(=O)N[C@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000342363543 389216282 /nfs/dbraw/zinc/21/62/82/389216282.db2.gz SHGUGLVYAJFHFG-NSHDSACASA-N 2 2 251.334 0.277 20 0 CCADLP CNC(=O)N[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000342363543 389216284 /nfs/dbraw/zinc/21/62/84/389216284.db2.gz SHGUGLVYAJFHFG-NSHDSACASA-N 2 2 251.334 0.277 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)on1 ZINC000131625308 389216457 /nfs/dbraw/zinc/21/64/57/389216457.db2.gz BLLHXBFQPFHWON-UWVGGRQHSA-N 2 2 252.318 0.591 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)on1 ZINC000131625308 389216458 /nfs/dbraw/zinc/21/64/58/389216458.db2.gz BLLHXBFQPFHWON-UWVGGRQHSA-N 2 2 252.318 0.591 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[NH2+]CC2(F)F)[C@@H](C)C[NH2+]1 ZINC000343429507 389265711 /nfs/dbraw/zinc/26/57/11/389265711.db2.gz CAFRMVXWXISKOU-UTLUCORTSA-N 2 2 261.316 0.440 20 0 CCADLP COCC[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CC[C@H](C)C1 ZINC000362169918 389231398 /nfs/dbraw/zinc/23/13/98/389231398.db2.gz LXZIJEGKSUSKTC-LSDHHAIUSA-N 2 2 297.443 0.897 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)CC1 ZINC000253090812 389266353 /nfs/dbraw/zinc/26/63/53/389266353.db2.gz IOSFFDZQPOIQMB-RBSFLKMASA-N 2 2 295.427 0.386 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)CC1 ZINC000253090812 389266358 /nfs/dbraw/zinc/26/63/58/389266358.db2.gz IOSFFDZQPOIQMB-RBSFLKMASA-N 2 2 295.427 0.386 20 0 CCADLP Cc1cccnc1C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362661139 389239174 /nfs/dbraw/zinc/23/91/74/389239174.db2.gz CCKCUPKEJMQVHM-AWEZNQCLSA-N 2 2 288.395 0.786 20 0 CCADLP Cc1cccnc1C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362661139 389239178 /nfs/dbraw/zinc/23/91/78/389239178.db2.gz CCKCUPKEJMQVHM-AWEZNQCLSA-N 2 2 288.395 0.786 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)CCCC[NH+]1CCOCC1 ZINC000264214939 389313030 /nfs/dbraw/zinc/31/30/30/389313030.db2.gz WXVHXINTCJZWQG-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000345936199 389318224 /nfs/dbraw/zinc/31/82/24/389318224.db2.gz OCTMXDKYDOMXJX-LSDHHAIUSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000345936199 389318226 /nfs/dbraw/zinc/31/82/26/389318226.db2.gz OCTMXDKYDOMXJX-LSDHHAIUSA-N 2 2 295.427 0.794 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)[C@@H]1CCCO1 ZINC000346548961 389331523 /nfs/dbraw/zinc/33/15/23/389331523.db2.gz FBQIZKBOOQXSHA-AVGNSLFASA-N 2 2 269.389 0.483 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)[C@@H]1CCCO1 ZINC000346548961 389331526 /nfs/dbraw/zinc/33/15/26/389331526.db2.gz FBQIZKBOOQXSHA-AVGNSLFASA-N 2 2 269.389 0.483 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)Cn1cccn1 ZINC000137456163 389270244 /nfs/dbraw/zinc/27/02/44/389270244.db2.gz GHHIXIFOTRIXQJ-ZIAGYGMSSA-N 2 2 266.389 0.972 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)Cn1cccn1 ZINC000137456163 389270247 /nfs/dbraw/zinc/27/02/47/389270247.db2.gz GHHIXIFOTRIXQJ-ZIAGYGMSSA-N 2 2 266.389 0.972 20 0 CCADLP [NH3+]CCN(CCc1ccccc1)CC[NH+]1CCOCC1 ZINC000261743869 389275574 /nfs/dbraw/zinc/27/55/74/389275574.db2.gz KYOBNEGHPUQCTE-UHFFFAOYSA-N 2 2 277.412 0.822 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCC[NH+]1CCC[C@@H]1CO ZINC000344388516 389281333 /nfs/dbraw/zinc/28/13/33/389281333.db2.gz UJYTZVLANYXJKA-KFWWJZLASA-N 3 2 269.433 0.763 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCC[NH+]1CCC[C@@H]1CO ZINC000344388516 389281335 /nfs/dbraw/zinc/28/13/35/389281335.db2.gz UJYTZVLANYXJKA-KFWWJZLASA-N 3 2 269.433 0.763 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000344388516 389281337 /nfs/dbraw/zinc/28/13/37/389281337.db2.gz UJYTZVLANYXJKA-KFWWJZLASA-N 3 2 269.433 0.763 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000344388516 389281339 /nfs/dbraw/zinc/28/13/39/389281339.db2.gz UJYTZVLANYXJKA-KFWWJZLASA-N 3 2 269.433 0.763 20 0 CCADLP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1CCO ZINC000365621207 389283449 /nfs/dbraw/zinc/28/34/49/389283449.db2.gz HLDVBZHDWMZFMB-CYBMUJFWSA-N 2 2 281.400 0.140 20 0 CCADLP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[N@H+]1CCO ZINC000365621207 389283453 /nfs/dbraw/zinc/28/34/53/389283453.db2.gz HLDVBZHDWMZFMB-CYBMUJFWSA-N 2 2 281.400 0.140 20 0 CCADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000263069019 389297443 /nfs/dbraw/zinc/29/74/43/389297443.db2.gz WFFPNCNICWLQPG-QWRGUYRKSA-N 2 2 273.327 0.680 20 0 CCADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000263069019 389297444 /nfs/dbraw/zinc/29/74/44/389297444.db2.gz WFFPNCNICWLQPG-QWRGUYRKSA-N 2 2 273.327 0.680 20 0 CCADLP CCC[N@H+](CCn1cc[nH+]c1)[C@@H]1CCS(=O)(=O)C1 ZINC000162253071 389417005 /nfs/dbraw/zinc/41/70/05/389417005.db2.gz PKKRATWKYYDQEE-GFCCVEGCSA-N 2 2 271.386 0.782 20 0 CCADLP CCC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCS(=O)(=O)C1 ZINC000162253071 389417013 /nfs/dbraw/zinc/41/70/13/389417013.db2.gz PKKRATWKYYDQEE-GFCCVEGCSA-N 2 2 271.386 0.782 20 0 CCADLP C[C@@H]1CN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C[C@H]1[NH+](C)C ZINC000332876144 389385267 /nfs/dbraw/zinc/38/52/67/389385267.db2.gz SEUIXUZQOOOISH-UHIISALHSA-N 2 2 291.399 0.859 20 0 CCADLP C[C@@H]1CN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C[C@H]1[NH+](C)C ZINC000332876144 389385269 /nfs/dbraw/zinc/38/52/69/389385269.db2.gz SEUIXUZQOOOISH-UHIISALHSA-N 2 2 291.399 0.859 20 0 CCADLP CCO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369276935 389392467 /nfs/dbraw/zinc/39/24/67/389392467.db2.gz JHPDRDTYHSSWTE-STQMWFEESA-N 2 2 283.416 0.696 20 0 CCADLP CCO[C@@H](C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369276935 389392471 /nfs/dbraw/zinc/39/24/71/389392471.db2.gz JHPDRDTYHSSWTE-STQMWFEESA-N 2 2 283.416 0.696 20 0 CCADLP CC[N@@H+]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000264692701 389346222 /nfs/dbraw/zinc/34/62/22/389346222.db2.gz BAMOWUPKHUYZIT-UHFFFAOYSA-N 2 2 250.346 0.827 20 0 CCADLP CC[N@H+]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000264692701 389346225 /nfs/dbraw/zinc/34/62/25/389346225.db2.gz BAMOWUPKHUYZIT-UHFFFAOYSA-N 2 2 250.346 0.827 20 0 CCADLP CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367725563 389351974 /nfs/dbraw/zinc/35/19/74/389351974.db2.gz LFJSRDPIBXRHFA-XQQFMLRXSA-N 2 2 274.430 0.884 20 0 CCADLP CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367725563 389351978 /nfs/dbraw/zinc/35/19/78/389351978.db2.gz LFJSRDPIBXRHFA-XQQFMLRXSA-N 2 2 274.430 0.884 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN2C(=O)NC[C@@H]2C1 ZINC000162196235 389415507 /nfs/dbraw/zinc/41/55/07/389415507.db2.gz SXPLPKMQBHIQQO-VXGBXAGGSA-N 2 2 252.362 0.180 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN2C(=O)NC[C@@H]2C1 ZINC000162196235 389415511 /nfs/dbraw/zinc/41/55/11/389415511.db2.gz SXPLPKMQBHIQQO-VXGBXAGGSA-N 2 2 252.362 0.180 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000162196235 389415513 /nfs/dbraw/zinc/41/55/13/389415513.db2.gz SXPLPKMQBHIQQO-VXGBXAGGSA-N 2 2 252.362 0.180 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000162196235 389415517 /nfs/dbraw/zinc/41/55/17/389415517.db2.gz SXPLPKMQBHIQQO-VXGBXAGGSA-N 2 2 252.362 0.180 20 0 CCADLP CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000348152061 389365845 /nfs/dbraw/zinc/36/58/45/389365845.db2.gz ONXWFVOIFQVKNO-STQMWFEESA-N 2 2 253.390 0.977 20 0 CCADLP CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000422728857 389461435 /nfs/dbraw/zinc/46/14/35/389461435.db2.gz AYLXEODCSZRPSD-BXUZGUMPSA-N 2 2 297.424 0.682 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000422743759 389465589 /nfs/dbraw/zinc/46/55/89/389465589.db2.gz RTZRWQAKHOQBNN-MCIONIFRSA-N 3 2 282.432 0.304 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000422743759 389465593 /nfs/dbraw/zinc/46/55/93/389465593.db2.gz RTZRWQAKHOQBNN-MCIONIFRSA-N 3 2 282.432 0.304 20 0 CCADLP C[NH2+][C@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000422766733 389470377 /nfs/dbraw/zinc/47/03/77/389470377.db2.gz MGSQUQXNILILKM-LSDHHAIUSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH2+][C@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000422766733 389470380 /nfs/dbraw/zinc/47/03/80/389470380.db2.gz MGSQUQXNILILKM-LSDHHAIUSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC(CNC(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000373306640 389472464 /nfs/dbraw/zinc/47/24/64/389472464.db2.gz VHODDCXECRYSBR-UHFFFAOYSA-N 2 2 295.427 0.699 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000422792497 389477261 /nfs/dbraw/zinc/47/72/61/389477261.db2.gz ZINZLYFKKBGMKR-WCQYABFASA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000422792497 389477263 /nfs/dbraw/zinc/47/72/63/389477263.db2.gz ZINZLYFKKBGMKR-WCQYABFASA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCNC(=O)c1ccco1 ZINC000422801098 389478494 /nfs/dbraw/zinc/47/84/94/389478494.db2.gz DOINITCATRZFFY-GHMZBOCLSA-N 2 2 251.330 0.597 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCC[NH+]1CCCCCC1 ZINC000422808814 389479614 /nfs/dbraw/zinc/47/96/14/389479614.db2.gz ORHYONGRBQGHPM-UONOGXRCSA-N 2 2 283.416 0.746 20 0 CCADLP CC(C)[C@H](C[NH2+][C@H]1C[NH2+]CC[C@@H]1C)N1CCOCC1 ZINC000422813266 389480296 /nfs/dbraw/zinc/48/02/96/389480296.db2.gz ZEUNKVIFEILVII-KKUMJFAQSA-N 2 2 269.433 0.931 20 0 CCADLP CC(C)[C@H](CN[C@H]1C[NH2+]CC[C@@H]1C)[NH+]1CCOCC1 ZINC000422813266 389480298 /nfs/dbraw/zinc/48/02/98/389480298.db2.gz ZEUNKVIFEILVII-KKUMJFAQSA-N 2 2 269.433 0.931 20 0 CCADLP CC(C)[NH+]1CCN(CC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000172383995 389487699 /nfs/dbraw/zinc/48/76/99/389487699.db2.gz RTLMETOUQZLLLQ-AWEZNQCLSA-N 2 2 255.406 0.733 20 0 CCADLP CC(C)[NH+]1CCN(CC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000172383995 389487701 /nfs/dbraw/zinc/48/77/01/389487701.db2.gz RTLMETOUQZLLLQ-AWEZNQCLSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000333543495 389421792 /nfs/dbraw/zinc/42/17/92/389421792.db2.gz JOLIZCGEOAZLMA-HZSPNIEDSA-N 2 2 297.447 0.014 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1NCC[NH+]1CCC(C)CC1 ZINC000422852751 389491770 /nfs/dbraw/zinc/49/17/70/389491770.db2.gz BFFFSBLNRMOOIO-KBPBESRZSA-N 2 2 283.416 0.602 20 0 CCADLP CC(C)NC(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371300729 389430250 /nfs/dbraw/zinc/43/02/50/389430250.db2.gz QIOUHQMAPQEHJQ-MELADBBJSA-N 2 2 283.416 0.695 20 0 CCADLP CC(C)NC(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371300729 389430252 /nfs/dbraw/zinc/43/02/52/389430252.db2.gz QIOUHQMAPQEHJQ-MELADBBJSA-N 2 2 283.416 0.695 20 0 CCADLP [NH3+]C[C@@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C1CC1 ZINC000422854202 389491879 /nfs/dbraw/zinc/49/18/79/389491879.db2.gz AQYNVVGBJJOUSA-KGLIPLIRSA-N 2 2 281.400 0.483 20 0 CCADLP CCNC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000371303617 389430651 /nfs/dbraw/zinc/43/06/51/389430651.db2.gz PIDFLQKPKYHWRQ-KBPBESRZSA-N 2 2 282.432 0.080 20 0 CCADLP CCNC(=O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000371303617 389430654 /nfs/dbraw/zinc/43/06/54/389430654.db2.gz PIDFLQKPKYHWRQ-KBPBESRZSA-N 2 2 282.432 0.080 20 0 CCADLP [NH3+]C[C@@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C1CC1 ZINC000422854202 389491883 /nfs/dbraw/zinc/49/18/83/389491883.db2.gz AQYNVVGBJJOUSA-KGLIPLIRSA-N 2 2 281.400 0.483 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1CCCC[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000167687660 389446908 /nfs/dbraw/zinc/44/69/08/389446908.db2.gz ZHUSPZFCTIVYGE-AGIUHOORSA-N 2 2 269.389 0.354 20 0 CCADLP CC(C)NS(=O)(=O)CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422945684 389509408 /nfs/dbraw/zinc/50/94/08/389509408.db2.gz NRFGKADQTVVCOV-WDEREUQCSA-N 2 2 263.407 0.044 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000422976380 389515271 /nfs/dbraw/zinc/51/52/71/389515271.db2.gz IEJWCPMUVJXINS-HRCADAONSA-N 3 2 299.459 0.436 20 0 CCADLP COc1cccc(CC[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)n1 ZINC000422988874 389518271 /nfs/dbraw/zinc/51/82/71/389518271.db2.gz AGFLWLCBUZZXDO-GXTWGEPZSA-N 2 2 279.384 0.989 20 0 CCADLP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CCc1cc[nH+]cc1C ZINC000423008655 389521631 /nfs/dbraw/zinc/52/16/31/389521631.db2.gz AUGRWTRJJDCPIH-KGLIPLIRSA-N 2 2 277.368 0.816 20 0 CCADLP C[C@](O)(C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)C(F)(F)F ZINC000423015229 389522590 /nfs/dbraw/zinc/52/25/90/389522590.db2.gz QNDLTUZWZJAJEH-DCAQKATOSA-N 2 2 282.306 0.656 20 0 CCADLP COC(=O)[C@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[N@H+](C)C1 ZINC000413499622 389523157 /nfs/dbraw/zinc/52/31/57/389523157.db2.gz NNMVMPXJXOIDPK-SNVBAGLBSA-N 2 2 289.339 0.499 20 0 CCADLP COC(=O)[C@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[N@@H+](C)C1 ZINC000413499622 389523161 /nfs/dbraw/zinc/52/31/61/389523161.db2.gz NNMVMPXJXOIDPK-SNVBAGLBSA-N 2 2 289.339 0.499 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276659565 389524259 /nfs/dbraw/zinc/52/42/59/389524259.db2.gz XTZCPHVECDAKES-SNAWJCMRSA-N 2 2 266.345 0.507 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000276659565 389524262 /nfs/dbraw/zinc/52/42/62/389524262.db2.gz XTZCPHVECDAKES-SNAWJCMRSA-N 2 2 266.345 0.507 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCC[N@@H+]1CCCC(C)(C)C1 ZINC000423068912 389529020 /nfs/dbraw/zinc/52/90/20/389529020.db2.gz AEXAWKDZZUNMTA-ZIAGYGMSSA-N 2 2 297.443 0.992 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCC[N@H+]1CCCC(C)(C)C1 ZINC000423068912 389529023 /nfs/dbraw/zinc/52/90/23/389529023.db2.gz AEXAWKDZZUNMTA-ZIAGYGMSSA-N 2 2 297.443 0.992 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000335075271 389535759 /nfs/dbraw/zinc/53/57/59/389535759.db2.gz FWCKJQQVHYMKFT-GHMZBOCLSA-N 2 2 251.334 0.489 20 0 CCADLP c1cc(C[NH2+][C@@H]2CC[NH2+]C2)cc(N2CCOCC2)c1 ZINC000423139616 389541524 /nfs/dbraw/zinc/54/15/24/389541524.db2.gz VWQIJGPFKOXHOG-CQSZACIVSA-N 2 2 261.369 0.975 20 0 CCADLP Cn1c[nH+]cc1CN1CCN(CC[NH+]2CCCC2)CC1 ZINC000175582601 389543062 /nfs/dbraw/zinc/54/30/62/389543062.db2.gz KSQYAFNLJGTWQF-UHFFFAOYSA-N 2 2 277.416 0.634 20 0 CCADLP C[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000335347298 389549382 /nfs/dbraw/zinc/54/93/82/389549382.db2.gz GCPVASLNGBDYGE-RYUDHWBXSA-N 2 2 262.357 0.608 20 0 CCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000335347298 389549389 /nfs/dbraw/zinc/54/93/89/389549389.db2.gz GCPVASLNGBDYGE-RYUDHWBXSA-N 2 2 262.357 0.608 20 0 CCADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000423190341 389550978 /nfs/dbraw/zinc/55/09/78/389550978.db2.gz NPQCZRIMDMZHHX-YPMHNXCESA-N 2 2 297.424 0.997 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(-n2cnnn2)cc1 ZINC000423204181 389552534 /nfs/dbraw/zinc/55/25/34/389552534.db2.gz NXGIFOPLWBABRB-ZYHUDNBSSA-N 2 2 258.329 0.675 20 0 CCADLP [NH3+]C[C@@H]1CCN(C(=O)[C@H]([NH3+])c2c(F)cccc2F)C1 ZINC000335418147 389555861 /nfs/dbraw/zinc/55/58/61/389555861.db2.gz QQSHYLUGAWIKDP-QPUJVOFHSA-N 2 2 269.295 0.772 20 0 CCADLP C[NH2+]CC[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(C)cc1C ZINC000423245373 389556859 /nfs/dbraw/zinc/55/68/59/389556859.db2.gz MKFUSDGKHHZOBA-LLVKDONJSA-N 2 2 285.413 0.821 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423306471 389562156 /nfs/dbraw/zinc/56/21/56/389562156.db2.gz UASQPZWBSBMYOP-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@H]1CC[NH2+]C1 ZINC000335450892 389566548 /nfs/dbraw/zinc/56/65/48/389566548.db2.gz DFSTUTDQLQOGON-NSHDSACASA-N 2 2 262.357 0.787 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000422864330 389495430 /nfs/dbraw/zinc/49/54/30/389495430.db2.gz UQTPIQBCDCXTHS-NWANDNLSSA-N 2 2 295.427 0.887 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000422864330 389495433 /nfs/dbraw/zinc/49/54/33/389495433.db2.gz UQTPIQBCDCXTHS-NWANDNLSSA-N 2 2 295.427 0.887 20 0 CCADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nnnn2C)C1 ZINC000350180892 389496178 /nfs/dbraw/zinc/49/61/78/389496178.db2.gz IHGPFHDSEBSMJT-LBPRGKRZSA-N 2 2 282.392 0.143 20 0 CCADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nnnn2C)C1 ZINC000350180892 389496180 /nfs/dbraw/zinc/49/61/80/389496180.db2.gz IHGPFHDSEBSMJT-LBPRGKRZSA-N 2 2 282.392 0.143 20 0 CCADLP CC(=O)N1CCN(CC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000422866783 389496402 /nfs/dbraw/zinc/49/64/02/389496402.db2.gz QXTBXJVDSKCWGA-DZGCQCFKSA-N 2 2 282.432 0.271 20 0 CCADLP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422876810 389497717 /nfs/dbraw/zinc/49/77/17/389497717.db2.gz QOXHNPQEAFOCNU-IPOQPSJVSA-N 2 2 279.428 0.826 20 0 CCADLP C[C@H](O)CNc1cc(NCCCC[N@H+](C)C2CC2)[nH+]cn1 ZINC000413347290 389499361 /nfs/dbraw/zinc/49/93/61/389499361.db2.gz KTAAEODEEYLFHK-LBPRGKRZSA-N 2 2 293.415 0.978 20 0 CCADLP C[C@H](O)CNc1cc(NCCCC[N@@H+](C)C2CC2)[nH+]cn1 ZINC000413347290 389499367 /nfs/dbraw/zinc/49/93/67/389499367.db2.gz KTAAEODEEYLFHK-LBPRGKRZSA-N 2 2 293.415 0.978 20 0 CCADLP C[C@H](O)CNc1cc(NCCCC[N@H+](C)C2CC2)nc[nH+]1 ZINC000413347290 389499370 /nfs/dbraw/zinc/49/93/70/389499370.db2.gz KTAAEODEEYLFHK-LBPRGKRZSA-N 2 2 293.415 0.978 20 0 CCADLP C[C@H](O)CNc1cc(NCCCC[N@@H+](C)C2CC2)nc[nH+]1 ZINC000413347290 389499374 /nfs/dbraw/zinc/49/93/74/389499374.db2.gz KTAAEODEEYLFHK-LBPRGKRZSA-N 2 2 293.415 0.978 20 0 CCADLP COCCOc1cccc(C[NH2+]C[C@H]2C[NH2+]CCN2C)c1 ZINC000414972395 389648992 /nfs/dbraw/zinc/64/89/92/389648992.db2.gz XVTDXHHJLYJZIH-OAHLLOKOSA-N 2 2 293.411 0.705 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCCC[NH+]2CCOCC2)n1C ZINC000414294709 389610651 /nfs/dbraw/zinc/61/06/51/389610651.db2.gz WXFNMFURIMAVHV-UHFFFAOYSA-N 3 2 295.431 0.688 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000335974660 389618778 /nfs/dbraw/zinc/61/87/78/389618778.db2.gz SNBDVSJUJYYBPD-GHMZBOCLSA-N 2 2 250.346 0.893 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000335974660 389618780 /nfs/dbraw/zinc/61/87/80/389618780.db2.gz SNBDVSJUJYYBPD-GHMZBOCLSA-N 2 2 250.346 0.893 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]C[C@@H]2CCN(C)C(=O)C2)[C@@H](C)C1 ZINC000424185759 389621151 /nfs/dbraw/zinc/62/11/51/389621151.db2.gz HIAOWKSPUZIMAN-XQQFMLRXSA-N 2 2 253.390 0.785 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]C[C@@H]2CCN(C)C(=O)C2)[C@@H](C)C1 ZINC000424185759 389621159 /nfs/dbraw/zinc/62/11/59/389621159.db2.gz HIAOWKSPUZIMAN-XQQFMLRXSA-N 2 2 253.390 0.785 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000414657334 389625130 /nfs/dbraw/zinc/62/51/30/389625130.db2.gz OIGNRBFNYVPAJX-GJZGRUSLSA-N 3 2 296.459 0.504 20 0 CCADLP CC(C)C[C@H]([NH3+])C[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000414690747 389627373 /nfs/dbraw/zinc/62/73/73/389627373.db2.gz NOZBCZDQCARCDN-LBPRGKRZSA-N 2 2 291.461 0.716 20 0 CCADLP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@H]([NH3+])CC(C)C ZINC000414756425 389635303 /nfs/dbraw/zinc/63/53/03/389635303.db2.gz QTEGVMZRURGQLZ-VXGBXAGGSA-N 2 2 277.434 0.373 20 0 CCADLP CNS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@H]([NH3+])CC(C)C ZINC000414756425 389635305 /nfs/dbraw/zinc/63/53/05/389635305.db2.gz QTEGVMZRURGQLZ-VXGBXAGGSA-N 2 2 277.434 0.373 20 0 CCADLP COCC[NH2+]CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000414868834 389641565 /nfs/dbraw/zinc/64/15/65/389641565.db2.gz FGOVMCSVNQJHRJ-MJBXVCDLSA-N 3 2 255.406 0.733 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000351478972 389586652 /nfs/dbraw/zinc/58/66/52/389586652.db2.gz QFILSTMRGFTCAA-XQLPTFJDSA-N 3 2 294.443 0.208 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000351478972 389586655 /nfs/dbraw/zinc/58/66/55/389586655.db2.gz QFILSTMRGFTCAA-XQLPTFJDSA-N 3 2 294.443 0.208 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413966666 389586941 /nfs/dbraw/zinc/58/69/41/389586941.db2.gz LXRNNXAIJSQHIB-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413966666 389586943 /nfs/dbraw/zinc/58/69/43/389586943.db2.gz LXRNNXAIJSQHIB-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H](CCS(C)(=O)=O)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425339353 389645671 /nfs/dbraw/zinc/64/56/71/389645671.db2.gz CJJBKARYSHIRHA-JTQLQIEISA-N 2 2 288.417 0.399 20 0 CCADLP C[C@@H](C(N)=O)[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000279774301 389595558 /nfs/dbraw/zinc/59/55/58/389595558.db2.gz SXMJITMOUONHRH-SRVKXCTJSA-N 2 2 297.378 0.138 20 0 CCADLP C[C@@H](C(N)=O)[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000279774301 389595560 /nfs/dbraw/zinc/59/55/60/389595560.db2.gz SXMJITMOUONHRH-SRVKXCTJSA-N 2 2 297.378 0.138 20 0 CCADLP C[C@@H](CC[NH3+])NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000423514409 389599100 /nfs/dbraw/zinc/59/91/00/389599100.db2.gz SEMITNNQJNLTMW-JTQLQIEISA-N 2 2 259.313 0.734 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375764602 389709825 /nfs/dbraw/zinc/70/98/25/389709825.db2.gz RLDWYDCTCXQQHB-ACJTYDJDSA-N 2 2 296.415 0.778 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375764602 389709826 /nfs/dbraw/zinc/70/98/26/389709826.db2.gz RLDWYDCTCXQQHB-ACJTYDJDSA-N 2 2 296.415 0.778 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375764602 389709828 /nfs/dbraw/zinc/70/98/28/389709828.db2.gz RLDWYDCTCXQQHB-ACJTYDJDSA-N 2 2 296.415 0.778 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375764602 389709832 /nfs/dbraw/zinc/70/98/32/389709832.db2.gz RLDWYDCTCXQQHB-ACJTYDJDSA-N 2 2 296.415 0.778 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414974634 389650862 /nfs/dbraw/zinc/65/08/62/389650862.db2.gz NTUGGDKNEJZRTJ-VXGBXAGGSA-N 3 2 296.381 0.786 20 0 CCADLP c1cn2c(cccc2C[N@@H+]2CCN3CCOC[C@@H]3C2)[nH+]1 ZINC000375239976 389652593 /nfs/dbraw/zinc/65/25/93/389652593.db2.gz VYQSOSDMIVVVNZ-AWEZNQCLSA-N 2 2 272.352 0.851 20 0 CCADLP c1cn2c(cccc2C[N@H+]2CCN3CCOC[C@@H]3C2)[nH+]1 ZINC000375239976 389652595 /nfs/dbraw/zinc/65/25/95/389652595.db2.gz VYQSOSDMIVVVNZ-AWEZNQCLSA-N 2 2 272.352 0.851 20 0 CCADLP COCCN(C)c1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cn1 ZINC000415033975 389652783 /nfs/dbraw/zinc/65/27/83/389652783.db2.gz JHRPTJPURQZEKI-NHAGDIPZSA-N 2 2 276.384 0.472 20 0 CCADLP C[C@@H]1CCCC[N@@H+]1CCC(=O)N1C[C@H]2OCC[NH+](C)[C@H]2C1 ZINC000426994570 389679583 /nfs/dbraw/zinc/67/95/83/389679583.db2.gz HYAUIMMNLPNKHC-QLFBSQMISA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]1CCCC[N@H+]1CCC(=O)N1C[C@H]2OCC[NH+](C)[C@H]2C1 ZINC000426994570 389679586 /nfs/dbraw/zinc/67/95/86/389679586.db2.gz HYAUIMMNLPNKHC-QLFBSQMISA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]1CCCC[NH+]1CCC(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000426994570 389679589 /nfs/dbraw/zinc/67/95/89/389679589.db2.gz HYAUIMMNLPNKHC-QLFBSQMISA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]1CCCC[NH+]1CCC(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000426994570 389679593 /nfs/dbraw/zinc/67/95/93/389679593.db2.gz HYAUIMMNLPNKHC-QLFBSQMISA-N 2 2 295.427 0.792 20 0 CCADLP CCc1nc(C)c(C[NH+]2CCN(C(=O)C[NH+](C)C)CC2)o1 ZINC000428455930 389698667 /nfs/dbraw/zinc/69/86/67/389698667.db2.gz DNAPLYYNJFJVIW-UHFFFAOYSA-N 2 2 294.399 0.751 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000352103584 389753355 /nfs/dbraw/zinc/75/33/55/389753355.db2.gz PSGHJMMARWXWRK-BMFZPTHFSA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000352103584 389753358 /nfs/dbraw/zinc/75/33/58/389753358.db2.gz PSGHJMMARWXWRK-BMFZPTHFSA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000352103584 389753360 /nfs/dbraw/zinc/75/33/60/389753360.db2.gz PSGHJMMARWXWRK-BMFZPTHFSA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000352103584 389753361 /nfs/dbraw/zinc/75/33/61/389753361.db2.gz PSGHJMMARWXWRK-BMFZPTHFSA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1C[C@@H](N2CCOCC2)C[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000352103584 389753364 /nfs/dbraw/zinc/75/33/64/389753364.db2.gz PSGHJMMARWXWRK-BMFZPTHFSA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1C[C@@H](N2CCOCC2)C[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000352103584 389753367 /nfs/dbraw/zinc/75/33/67/389753367.db2.gz PSGHJMMARWXWRK-BMFZPTHFSA-N 2 2 297.443 0.237 20 0 CCADLP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000352103999 389753536 /nfs/dbraw/zinc/75/35/36/389753536.db2.gz AOHBNZSZEWOVMX-UONOGXRCSA-N 2 2 285.432 0.990 20 0 CCADLP CC(C)CNC(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000378248395 389757794 /nfs/dbraw/zinc/75/77/94/389757794.db2.gz MXGRKFCLBWYMCY-QLFBSQMISA-N 2 2 297.443 0.942 20 0 CCADLP CC(C)CNC(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000378248395 389757795 /nfs/dbraw/zinc/75/77/95/389757795.db2.gz MXGRKFCLBWYMCY-QLFBSQMISA-N 2 2 297.443 0.942 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)CC1(O)CCCC1 ZINC000388916294 389770948 /nfs/dbraw/zinc/77/09/48/389770948.db2.gz WCIJBDXGQDDKSK-CYBMUJFWSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)CC1(O)CCCC1 ZINC000388916294 389770951 /nfs/dbraw/zinc/77/09/51/389770951.db2.gz WCIJBDXGQDDKSK-CYBMUJFWSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)CC1(O)CCCC1 ZINC000388916294 389770955 /nfs/dbraw/zinc/77/09/55/389770955.db2.gz WCIJBDXGQDDKSK-CYBMUJFWSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)CC1(O)CCCC1 ZINC000388916294 389770957 /nfs/dbraw/zinc/77/09/57/389770957.db2.gz WCIJBDXGQDDKSK-CYBMUJFWSA-N 2 2 274.405 0.162 20 0 CCADLP C[C@H](CC[NH3+])NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000416826902 389774148 /nfs/dbraw/zinc/77/41/48/389774148.db2.gz MXMDTPDOEMZBPU-LLVKDONJSA-N 2 2 272.393 0.134 20 0 CCADLP C[C@@H](CCC[NH3+])NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000416830314 389774644 /nfs/dbraw/zinc/77/46/44/389774644.db2.gz RINXIYGEENIBBC-LBPRGKRZSA-N 2 2 286.420 0.524 20 0 CCADLP C[C@@H]1CCN(C(=O)NCCn2cc[nH+]c2)C[C@H]1C[NH3+] ZINC000416842779 389776062 /nfs/dbraw/zinc/77/60/62/389776062.db2.gz JXXXJBFCTKNYDO-VXGBXAGGSA-N 2 2 265.361 0.509 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CC2(O)CC[NH+](C)CC2)n1C ZINC000397556865 389779025 /nfs/dbraw/zinc/77/90/25/389779025.db2.gz NEGZWFQJNXQPJL-UHFFFAOYSA-N 3 2 281.404 0.032 20 0 CCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)NCCC[NH3+] ZINC000416886609 389779499 /nfs/dbraw/zinc/77/94/99/389779499.db2.gz NAIYYPOMCJMINT-UHFFFAOYSA-N 2 2 275.356 0.993 20 0 CCADLP Cc1cc(NC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)cc[nH+]1 ZINC000416953643 389784300 /nfs/dbraw/zinc/78/43/00/389784300.db2.gz PDQIANQMTRWFRS-OLZOCXBDSA-N 2 2 292.383 0.731 20 0 CCADLP Cc1cc(NC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)cc[nH+]1 ZINC000416953643 389784304 /nfs/dbraw/zinc/78/43/04/389784304.db2.gz PDQIANQMTRWFRS-OLZOCXBDSA-N 2 2 292.383 0.731 20 0 CCADLP CC(C)C[C@@H](C[NH3+])NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000417024392 389790969 /nfs/dbraw/zinc/79/09/69/389790969.db2.gz KXELNFSZSOEVEV-OLZOCXBDSA-N 2 2 286.420 0.380 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000417030665 389791045 /nfs/dbraw/zinc/79/10/45/389791045.db2.gz OXKUTWCVZPVPST-HZSPNIEDSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000417045067 389791615 /nfs/dbraw/zinc/79/16/15/389791615.db2.gz ZDHAPBPFUAWYMP-KGLIPLIRSA-N 2 2 298.431 0.539 20 0 CCADLP C[C@@H]1C[C@H]1[N@@H+]1CCN(CC[NH+]2CCOCC2)C[C@@H](C)C1 ZINC000428989052 389731464 /nfs/dbraw/zinc/73/14/64/389731464.db2.gz CZUXORRMSJVACI-BZUAXINKSA-N 2 2 281.444 0.981 20 0 CCADLP C[C@@H]1C[C@H]1[N@H+]1CCN(CC[NH+]2CCOCC2)C[C@@H](C)C1 ZINC000428989052 389731467 /nfs/dbraw/zinc/73/14/67/389731467.db2.gz CZUXORRMSJVACI-BZUAXINKSA-N 2 2 281.444 0.981 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3CC(=O)C3)C2)CC1 ZINC000376821944 389741332 /nfs/dbraw/zinc/74/13/32/389741332.db2.gz GZZWLNCYKALIJA-LBPRGKRZSA-N 2 2 279.384 0.250 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3CC(=O)C3)C2)CC1 ZINC000376821944 389741335 /nfs/dbraw/zinc/74/13/35/389741335.db2.gz GZZWLNCYKALIJA-LBPRGKRZSA-N 2 2 279.384 0.250 20 0 CCADLP C[C@H]1CCN(C(=O)NCC[NH+]2CCOCC2)[C@@H](C[NH3+])C1 ZINC000416432064 389742023 /nfs/dbraw/zinc/74/20/23/389742023.db2.gz DFYNQGLMWMVGNA-QWHCGFSZSA-N 2 2 284.404 0.087 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC1(C)CC[NH2+]CC1 ZINC000416442505 389744502 /nfs/dbraw/zinc/74/45/02/389744502.db2.gz XYSVEKVXWWOPKM-LBPRGKRZSA-N 2 2 279.388 0.961 20 0 CCADLP Cc1cc(NC(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)no1 ZINC000430579227 389809246 /nfs/dbraw/zinc/80/92/46/389809246.db2.gz BVDAPUJWOUBAHR-LBPRGKRZSA-N 2 2 252.318 0.060 20 0 CCADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)NCCCN1CCCC1=O ZINC000430585085 389809615 /nfs/dbraw/zinc/80/96/15/389809615.db2.gz WDVFMWZYNXSQOP-HNNXBMFYSA-N 2 2 298.431 0.078 20 0 CCADLP C[N@H+](CC(=O)N1CCO[C@H]2CCCC[C@@H]21)C1CC[NH2+]CC1 ZINC000430621834 389813956 /nfs/dbraw/zinc/81/39/56/389813956.db2.gz KKWNLQRGUZGAJJ-GJZGRUSLSA-N 2 2 295.427 0.840 20 0 CCADLP C[N@@H+](CC(=O)N1CCO[C@H]2CCCC[C@@H]21)C1CC[NH2+]CC1 ZINC000430621834 389813958 /nfs/dbraw/zinc/81/39/58/389813958.db2.gz KKWNLQRGUZGAJJ-GJZGRUSLSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000417422420 389814770 /nfs/dbraw/zinc/81/47/70/389814770.db2.gz KYDBTVOKWGXLBZ-CHWSQXEVSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000417422420 389814772 /nfs/dbraw/zinc/81/47/72/389814772.db2.gz KYDBTVOKWGXLBZ-CHWSQXEVSA-N 2 2 298.431 0.476 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCS(=O)(=O)NC ZINC000407947663 389815117 /nfs/dbraw/zinc/81/51/17/389815117.db2.gz HJPZTQVRVNRWCU-OLZOCXBDSA-N 2 2 289.445 0.484 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCS(=O)(=O)NC ZINC000407947663 389815121 /nfs/dbraw/zinc/81/51/21/389815121.db2.gz HJPZTQVRVNRWCU-OLZOCXBDSA-N 2 2 289.445 0.484 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCS(=O)(=O)NC ZINC000407947663 389815124 /nfs/dbraw/zinc/81/51/24/389815124.db2.gz HJPZTQVRVNRWCU-OLZOCXBDSA-N 2 2 289.445 0.484 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCS(=O)(=O)NC ZINC000407947663 389815127 /nfs/dbraw/zinc/81/51/27/389815127.db2.gz HJPZTQVRVNRWCU-OLZOCXBDSA-N 2 2 289.445 0.484 20 0 CCADLP COCC[C@@]1(C(=O)N[C@H](C)Cn2cc[nH+]c2)CC[NH2+]C1 ZINC000430688593 389817765 /nfs/dbraw/zinc/81/77/65/389817765.db2.gz YNMNJWUAGCERNR-OCCSQVGLSA-N 2 2 280.372 0.404 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000417483995 389820094 /nfs/dbraw/zinc/82/00/94/389820094.db2.gz UALZGWIRKLRROK-NSHDSACASA-N 2 2 279.388 0.998 20 0 CCADLP COCC[NH+]1CCN(C(=O)c2csc(C[NH3+])n2)CC1 ZINC000430746970 389822227 /nfs/dbraw/zinc/82/22/27/389822227.db2.gz UMFUAVXQQOHTOH-UHFFFAOYSA-N 2 2 284.385 0.006 20 0 CCADLP C[C@@H]1CCN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)[C@@H](C[NH3+])C1 ZINC000417515971 389823818 /nfs/dbraw/zinc/82/38/18/389823818.db2.gz MJMWFQQOEQWTOX-HZSPNIEDSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H]1CCN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)[C@@H](C[NH3+])C1 ZINC000417515971 389823822 /nfs/dbraw/zinc/82/38/22/389823822.db2.gz MJMWFQQOEQWTOX-HZSPNIEDSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@H](CC[NH3+])NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000417513287 389824498 /nfs/dbraw/zinc/82/44/98/389824498.db2.gz XEWYMXXCRWOACX-LLVKDONJSA-N 2 2 272.393 0.134 20 0 CCADLP C[C@H](CC[NH3+])NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000417513287 389824499 /nfs/dbraw/zinc/82/44/99/389824499.db2.gz XEWYMXXCRWOACX-LLVKDONJSA-N 2 2 272.393 0.134 20 0 CCADLP C[C@@H](NC(=O)NC1CCC([NH3+])CC1)[C@H](C)[NH+]1CCOCC1 ZINC000417517464 389825224 /nfs/dbraw/zinc/82/52/24/389825224.db2.gz IZUDDLKTIOEVEH-KBHBFKLGSA-N 2 2 298.431 0.665 20 0 CCADLP C[C@H]([C@H](C)NC(=O)NC1(C)CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000417524532 389826213 /nfs/dbraw/zinc/82/62/13/389826213.db2.gz SPZYTZVBYCCHKL-QWHCGFSZSA-N 2 2 298.431 0.537 20 0 CCADLP CC(C)C[C@@H](C[NH3+])NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000417529606 389826890 /nfs/dbraw/zinc/82/68/90/389826890.db2.gz QYOXXKXNPKYFFN-OLZOCXBDSA-N 2 2 286.420 0.380 20 0 CCADLP CC(C)C[C@@H](C[NH3+])NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000417529606 389826891 /nfs/dbraw/zinc/82/68/91/389826891.db2.gz QYOXXKXNPKYFFN-OLZOCXBDSA-N 2 2 286.420 0.380 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C1(C[NH3+])CCCC1 ZINC000430881734 389831317 /nfs/dbraw/zinc/83/13/17/389831317.db2.gz DVXCZWSLVRWLRE-LBPRGKRZSA-N 2 2 269.389 0.342 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C1(C[NH3+])CCCC1 ZINC000430881734 389831319 /nfs/dbraw/zinc/83/13/19/389831319.db2.gz DVXCZWSLVRWLRE-LBPRGKRZSA-N 2 2 269.389 0.342 20 0 CCADLP CN1CC[N@H+](C)[C@H](CNC(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000417596916 389834721 /nfs/dbraw/zinc/83/47/21/389834721.db2.gz QZZFCYZQNVVRQE-KGLIPLIRSA-N 2 2 297.447 0.049 20 0 CCADLP CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000417596916 389834723 /nfs/dbraw/zinc/83/47/23/389834723.db2.gz QZZFCYZQNVVRQE-KGLIPLIRSA-N 2 2 297.447 0.049 20 0 CCADLP CS(=O)(=O)c1ccc(OCC[N@@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000430946113 389838197 /nfs/dbraw/zinc/83/81/97/389838197.db2.gz ZHVHBTXNCYTDNX-GFCCVEGCSA-N 2 2 298.408 0.750 20 0 CCADLP CS(=O)(=O)c1ccc(OCC[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000430946113 389838200 /nfs/dbraw/zinc/83/82/00/389838200.db2.gz ZHVHBTXNCYTDNX-GFCCVEGCSA-N 2 2 298.408 0.750 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430967792 389841654 /nfs/dbraw/zinc/84/16/54/389841654.db2.gz UTQUNGRVJBQQJA-DCAQKATOSA-N 2 2 270.377 0.278 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430967792 389841658 /nfs/dbraw/zinc/84/16/58/389841658.db2.gz UTQUNGRVJBQQJA-DCAQKATOSA-N 2 2 270.377 0.278 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418382712 389874297 /nfs/dbraw/zinc/87/42/97/389874297.db2.gz YWPPAKQYLAXNLG-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430974363 389842857 /nfs/dbraw/zinc/84/28/57/389842857.db2.gz YYHAAKDWDJKCIL-SDDRHHMPSA-N 2 2 284.404 0.526 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430974363 389842860 /nfs/dbraw/zinc/84/28/60/389842860.db2.gz YYHAAKDWDJKCIL-SDDRHHMPSA-N 2 2 284.404 0.526 20 0 CCADLP [NH3+][C@H](CNC(=O)[C@@H]([NH3+])c1c(F)cccc1F)C1CC1 ZINC000417799545 389850092 /nfs/dbraw/zinc/85/00/92/389850092.db2.gz BEEIFUDHQMDWPA-PWSUYJOCSA-N 2 2 269.295 0.818 20 0 CCADLP C[C@H]([NH3+])CN1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000442657773 389853746 /nfs/dbraw/zinc/85/37/46/389853746.db2.gz HUPDAZMUORNSCM-ZDUSSCGKSA-N 2 2 273.384 0.799 20 0 CCADLP C[C@@H]([NH3+])C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000442662751 389853860 /nfs/dbraw/zinc/85/38/60/389853860.db2.gz QODWIJJCQKCUTP-CYBMUJFWSA-N 3 2 282.432 0.210 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)N2CC[NH2+]C(C)(C)C2)n1C ZINC000417838442 389855045 /nfs/dbraw/zinc/85/50/45/389855045.db2.gz JETRLUACJKKYSQ-UHFFFAOYSA-N 2 2 294.403 0.380 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H](C)[C@H]1C ZINC000419394066 389891820 /nfs/dbraw/zinc/89/18/20/389891820.db2.gz OKHIUHVPAGUTPW-AGIUHOORSA-N 2 2 253.390 0.737 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H](C)[C@H]1C ZINC000419394066 389891822 /nfs/dbraw/zinc/89/18/22/389891822.db2.gz OKHIUHVPAGUTPW-AGIUHOORSA-N 2 2 253.390 0.737 20 0 CCADLP C[C@@H](CNC(=O)c1coc(C[NH3+])c1)C[NH+]1CCN(C)CC1 ZINC000444273267 389899232 /nfs/dbraw/zinc/89/92/32/389899232.db2.gz ZRGXQXIVVGDXKD-LBPRGKRZSA-N 2 2 294.399 0.352 20 0 CCADLP C[C@@H](CNC(=O)c1coc(C[NH3+])c1)CN1CC[NH+](C)CC1 ZINC000444273267 389899233 /nfs/dbraw/zinc/89/92/33/389899233.db2.gz ZRGXQXIVVGDXKD-LBPRGKRZSA-N 2 2 294.399 0.352 20 0 CCADLP COC[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364232391 285351135 /nfs/dbraw/zinc/35/11/35/285351135.db2.gz ZGADOSFNMKWWEU-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP COC[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364232391 285351139 /nfs/dbraw/zinc/35/11/39/285351139.db2.gz ZGADOSFNMKWWEU-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](CO)C2CC2)n1C ZINC000419752030 389911014 /nfs/dbraw/zinc/91/10/14/389911014.db2.gz VNSORVZUDZPGAH-NSHDSACASA-N 2 2 252.362 0.594 20 0 CCADLP CC1(C)[C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)[C@@H]2CCO[C@@H]21 ZINC000447533462 389957332 /nfs/dbraw/zinc/95/73/32/389957332.db2.gz XOSVJXFIUYMNTH-CRWXNKLISA-N 2 2 295.427 0.729 20 0 CCADLP CC1(C)[C@@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)[C@@H]2CCO[C@@H]21 ZINC000447533462 389957333 /nfs/dbraw/zinc/95/73/33/389957333.db2.gz XOSVJXFIUYMNTH-CRWXNKLISA-N 2 2 295.427 0.729 20 0 CCADLP C[C@@H](C(=O)N(C)[C@H]1CCC[NH2+]CC1)[NH+]1CCOCC1 ZINC000435753704 389962456 /nfs/dbraw/zinc/96/24/56/389962456.db2.gz AZADOYUYKIGFHH-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP Nc1[nH+]cnc(NCC[C@@H]2CCC[NH2+]C2)c1Cl ZINC000420193313 389964964 /nfs/dbraw/zinc/96/49/64/389964964.db2.gz IVUXTVXVGOLVQF-QMMMGPOBSA-N 2 2 255.753 0.936 20 0 CCADLP Nc1nc[nH+]c(NCC[C@@H]2CCC[NH2+]C2)c1Cl ZINC000420193313 389964965 /nfs/dbraw/zinc/96/49/65/389964965.db2.gz IVUXTVXVGOLVQF-QMMMGPOBSA-N 2 2 255.753 0.936 20 0 CCADLP COCCO[C@H]1CC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000444751969 389916719 /nfs/dbraw/zinc/91/67/19/389916719.db2.gz RDVWETXBTDGLIP-ZDUSSCGKSA-N 2 2 253.346 0.929 20 0 CCADLP COCCO[C@H]1CC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000444751969 389916722 /nfs/dbraw/zinc/91/67/22/389916722.db2.gz RDVWETXBTDGLIP-ZDUSSCGKSA-N 2 2 253.346 0.929 20 0 CCADLP Cc1cc(NC(=O)CC[N@H+](C2CC2)[C@@H]2CC[NH2+]C2)no1 ZINC000435231388 389953793 /nfs/dbraw/zinc/95/37/93/389953793.db2.gz VMXUXVAKPVOQJI-GFCCVEGCSA-N 2 2 278.356 0.560 20 0 CCADLP Cc1cc(NC(=O)CC[N@@H+](C2CC2)[C@@H]2CC[NH2+]C2)no1 ZINC000435231388 389953795 /nfs/dbraw/zinc/95/37/95/389953795.db2.gz VMXUXVAKPVOQJI-GFCCVEGCSA-N 2 2 278.356 0.560 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000440620245 390041272 /nfs/dbraw/zinc/04/12/72/390041272.db2.gz WXGYSIVIYILYQQ-SNVBAGLBSA-N 2 2 280.294 0.831 20 0 CCADLP C[N@H+](C[C@H](O)C[NH3+])[C@@H]1CCN(c2ccccc2F)C1=O ZINC000420349987 389988580 /nfs/dbraw/zinc/98/85/80/389988580.db2.gz FLXYHIMSELHCMP-ZWNOBZJWSA-N 2 2 281.331 0.182 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH3+])[C@@H]1CCN(c2ccccc2F)C1=O ZINC000420349987 389988582 /nfs/dbraw/zinc/98/85/82/389988582.db2.gz FLXYHIMSELHCMP-ZWNOBZJWSA-N 2 2 281.331 0.182 20 0 CCADLP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420351483 389988921 /nfs/dbraw/zinc/98/89/21/389988921.db2.gz KGCKHBBMNLKMIE-DGCLKSJQSA-N 2 2 271.405 0.417 20 0 CCADLP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420351483 389988924 /nfs/dbraw/zinc/98/89/24/389988924.db2.gz KGCKHBBMNLKMIE-DGCLKSJQSA-N 2 2 271.405 0.417 20 0 CCADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420351720 389988976 /nfs/dbraw/zinc/98/89/76/389988976.db2.gz KRAMZHBIFYGBIS-JOYOIKCWSA-N 2 2 285.775 0.918 20 0 CCADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420351720 389988977 /nfs/dbraw/zinc/98/89/77/389988977.db2.gz KRAMZHBIFYGBIS-JOYOIKCWSA-N 2 2 285.775 0.918 20 0 CCADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420351197 389989332 /nfs/dbraw/zinc/98/93/32/389989332.db2.gz JIXOIKHVXLVBHS-BXUZGUMPSA-N 2 2 297.374 0.424 20 0 CCADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420351197 389989335 /nfs/dbraw/zinc/98/93/35/389989335.db2.gz JIXOIKHVXLVBHS-BXUZGUMPSA-N 2 2 297.374 0.424 20 0 CCADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420352241 389989722 /nfs/dbraw/zinc/98/97/22/389989722.db2.gz LUSVMRIYCUQNNE-CABZTGNLSA-N 2 2 285.775 0.918 20 0 CCADLP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420352241 389989725 /nfs/dbraw/zinc/98/97/25/389989725.db2.gz LUSVMRIYCUQNNE-CABZTGNLSA-N 2 2 285.775 0.918 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000420355535 389990095 /nfs/dbraw/zinc/99/00/95/389990095.db2.gz BYZOYVNQYPDZDZ-NFAWXSAZSA-N 3 2 282.432 0.127 20 0 CCADLP [NH3+]C[C@@H]([NH2+]CC(=O)NC(=O)NC1CC1)C1CCCCC1 ZINC000420355271 389990211 /nfs/dbraw/zinc/99/02/11/389990211.db2.gz FCIHQSAVLQUBKJ-GFCCVEGCSA-N 2 2 282.388 0.472 20 0 CCADLP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCCNC(=O)[C@@H]2C)cc1 ZINC000420356717 389990862 /nfs/dbraw/zinc/99/08/62/389990862.db2.gz GUCODRLINLSZLM-JSGCOSHPSA-N 2 2 291.395 0.948 20 0 CCADLP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCCNC(=O)[C@@H]2C)cc1 ZINC000420356717 389990864 /nfs/dbraw/zinc/99/08/64/389990864.db2.gz GUCODRLINLSZLM-JSGCOSHPSA-N 2 2 291.395 0.948 20 0 CCADLP CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420361814 389991771 /nfs/dbraw/zinc/99/17/71/389991771.db2.gz YQPNFMPAGUVCHX-NEPJUHHUSA-N 2 2 298.387 0.154 20 0 CCADLP CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420361814 389991772 /nfs/dbraw/zinc/99/17/72/389991772.db2.gz YQPNFMPAGUVCHX-NEPJUHHUSA-N 2 2 298.387 0.154 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC000420365180 389992549 /nfs/dbraw/zinc/99/25/49/389992549.db2.gz KWZTXAHTDCODMN-UHIISALHSA-N 2 2 253.390 0.831 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420370300 389993978 /nfs/dbraw/zinc/99/39/78/389993978.db2.gz LGBDMSBJKURZBH-HNNXBMFYSA-N 2 2 296.415 0.544 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420370300 389993980 /nfs/dbraw/zinc/99/39/80/389993980.db2.gz LGBDMSBJKURZBH-HNNXBMFYSA-N 2 2 296.415 0.544 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420401650 389997227 /nfs/dbraw/zinc/99/72/27/389997227.db2.gz PMMSOMPFGDMYGF-STQMWFEESA-N 2 2 296.415 0.686 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420401650 389997228 /nfs/dbraw/zinc/99/72/28/389997228.db2.gz PMMSOMPFGDMYGF-STQMWFEESA-N 2 2 296.415 0.686 20 0 CCADLP C[C@@H]1CCCN1C(=O)CC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000438719558 390010167 /nfs/dbraw/zinc/01/01/67/390010167.db2.gz UIHCOXNVCSDIAS-CQSZACIVSA-N 2 2 297.443 0.776 20 0 CCADLP C[C@@H]1CCCN1C(=O)CC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000438719558 390010168 /nfs/dbraw/zinc/01/01/68/390010168.db2.gz UIHCOXNVCSDIAS-CQSZACIVSA-N 2 2 297.443 0.776 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC2CN(S(=O)(=O)CC)C2)C1 ZINC000438907861 390011632 /nfs/dbraw/zinc/01/16/32/390011632.db2.gz CDIIPCWPPHKWCK-WCQYABFASA-N 2 2 289.445 0.198 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC2CN(S(=O)(=O)CC)C2)C1 ZINC000438907861 390011633 /nfs/dbraw/zinc/01/16/33/390011633.db2.gz CDIIPCWPPHKWCK-WCQYABFASA-N 2 2 289.445 0.198 20 0 CCADLP Cc1cc(C)c(CNC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c[nH+]1 ZINC000459081378 390069172 /nfs/dbraw/zinc/06/91/72/390069172.db2.gz QROWISZHCCVVRA-HNNXBMFYSA-N 2 2 292.383 0.564 20 0 CCADLP Cc1cc(C)c(CNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)c[nH+]1 ZINC000459081378 390069173 /nfs/dbraw/zinc/06/91/73/390069173.db2.gz QROWISZHCCVVRA-HNNXBMFYSA-N 2 2 292.383 0.564 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000468095376 390076940 /nfs/dbraw/zinc/07/69/40/390076940.db2.gz DAICJMGBOMVNFA-IHRRRGAJSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000468095376 390076941 /nfs/dbraw/zinc/07/69/41/390076941.db2.gz DAICJMGBOMVNFA-IHRRRGAJSA-N 2 2 283.416 0.554 20 0 CCADLP Cc1cccnc1/C=C/C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000493135259 390119213 /nfs/dbraw/zinc/11/92/13/390119213.db2.gz BGVPSHMEGPZZPB-URWSZGRFSA-N 2 2 274.368 0.505 20 0 CCADLP Cc1cccnc1/C=C/C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000493135259 390119214 /nfs/dbraw/zinc/11/92/14/390119214.db2.gz BGVPSHMEGPZZPB-URWSZGRFSA-N 2 2 274.368 0.505 20 0 CCADLP COc1ncccc1C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000487902893 390090260 /nfs/dbraw/zinc/09/02/60/390090260.db2.gz AEDCMLAULHERMT-UHFFFAOYSA-N 2 2 279.384 0.979 20 0 CCADLP COc1ncccc1C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000487902893 390090261 /nfs/dbraw/zinc/09/02/61/390090261.db2.gz AEDCMLAULHERMT-UHFFFAOYSA-N 2 2 279.384 0.979 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000491201236 390110447 /nfs/dbraw/zinc/11/04/47/390110447.db2.gz NFEUXJLUGOLSFF-AAEUAGOBSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000491201236 390110448 /nfs/dbraw/zinc/11/04/48/390110448.db2.gz NFEUXJLUGOLSFF-AAEUAGOBSA-N 2 2 284.404 0.099 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)CCc2c[nH+]cn2C)C1 ZINC000457714596 390048633 /nfs/dbraw/zinc/04/86/33/390048633.db2.gz CPNGBFLHDJNUFP-UHFFFAOYSA-N 2 2 250.346 0.562 20 0 CCADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1nc(-c2ccoc2)no1 ZINC000647835603 390185655 /nfs/dbraw/zinc/18/56/55/390185655.db2.gz DWKXAYUFSXNLCJ-UHFFFAOYSA-N 2 2 291.355 0.667 20 0 CCADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1nc(-c2ccoc2)no1 ZINC000647835603 390185658 /nfs/dbraw/zinc/18/56/58/390185658.db2.gz DWKXAYUFSXNLCJ-UHFFFAOYSA-N 2 2 291.355 0.667 20 0 CCADLP C[N@H+](CCN1CC[NH2+]CC1)[C@@H](C(N)=O)c1ccccc1 ZINC000647835012 390185801 /nfs/dbraw/zinc/18/58/01/390185801.db2.gz IXKUKEQFAQJYFA-CQSZACIVSA-N 2 2 276.384 0.050 20 0 CCADLP C[N@@H+](CCN1CC[NH2+]CC1)[C@@H](C(N)=O)c1ccccc1 ZINC000647835012 390185804 /nfs/dbraw/zinc/18/58/04/390185804.db2.gz IXKUKEQFAQJYFA-CQSZACIVSA-N 2 2 276.384 0.050 20 0 CCADLP C[NH+](C)C/C=C/C(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000493331840 390123516 /nfs/dbraw/zinc/12/35/16/390123516.db2.gz GQJQUFRHAGLLIQ-MBVDDHJVSA-N 2 2 295.427 0.673 20 0 CCADLP C[N@@H+]1CCN(C(=O)/C=C/c2cncc(F)c2)[C@@H](C[NH3+])C1 ZINC000493862726 390129745 /nfs/dbraw/zinc/12/97/45/390129745.db2.gz YUIFZQXASGKCLJ-IBUXWKBASA-N 2 2 278.331 0.335 20 0 CCADLP C[N@H+]1CCN(C(=O)/C=C/c2cncc(F)c2)[C@@H](C[NH3+])C1 ZINC000493862726 390129748 /nfs/dbraw/zinc/12/97/48/390129748.db2.gz YUIFZQXASGKCLJ-IBUXWKBASA-N 2 2 278.331 0.335 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000493878462 390132249 /nfs/dbraw/zinc/13/22/49/390132249.db2.gz LRQHWPXJPHQXSK-AVGNSLFASA-N 2 2 286.420 0.345 20 0 CCADLP Cc1cc(C)n([C@@H](C)CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000579010451 390135480 /nfs/dbraw/zinc/13/54/80/390135480.db2.gz PSERTDGJGDHHJT-UONOGXRCSA-N 2 2 293.415 0.552 20 0 CCADLP Cc1cc(C)n([C@@H](C)CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])n1 ZINC000579010451 390135482 /nfs/dbraw/zinc/13/54/82/390135482.db2.gz PSERTDGJGDHHJT-UONOGXRCSA-N 2 2 293.415 0.552 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc(C)[nH+]cc2C)C1 ZINC000535059779 390138178 /nfs/dbraw/zinc/13/81/78/390138178.db2.gz NYDPKNSLGUJBRJ-CYBMUJFWSA-N 2 2 292.383 0.963 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)Nc2cc(C)[nH+]cc2C)C1 ZINC000535059779 390138182 /nfs/dbraw/zinc/13/81/82/390138182.db2.gz NYDPKNSLGUJBRJ-CYBMUJFWSA-N 2 2 292.383 0.963 20 0 CCADLP O=C(NC[C@H]1C[NH2+]CCO1)C1CC[NH+](CC(F)F)CC1 ZINC000644161032 390152888 /nfs/dbraw/zinc/15/28/88/390152888.db2.gz BIVMEWSAFKPXLM-LLVKDONJSA-N 2 2 291.342 0.068 20 0 CCADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647798303 390174715 /nfs/dbraw/zinc/17/47/15/390174715.db2.gz PBNXICBOVAILOT-QKPAOTATSA-N 3 2 281.444 0.811 20 0 CCADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647798303 390174718 /nfs/dbraw/zinc/17/47/18/390174718.db2.gz PBNXICBOVAILOT-QKPAOTATSA-N 3 2 281.444 0.811 20 0 CCADLP C[C@H]([NH3+])C[NH+]1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000647885948 390208422 /nfs/dbraw/zinc/20/84/22/390208422.db2.gz RNKGXLATGAOBEE-LBPRGKRZSA-N 2 2 261.369 0.853 20 0 CCADLP CN1CCC[C@@H]([N@H+](C)C[C@@H]2CCC[NH+](C)C2)C1=O ZINC000539808727 390211228 /nfs/dbraw/zinc/21/12/28/390211228.db2.gz ODXNJKWZGWEJAT-CHWSQXEVSA-N 2 2 253.390 0.881 20 0 CCADLP CN1CCC[C@@H]([N@@H+](C)C[C@@H]2CCC[NH+](C)C2)C1=O ZINC000539808727 390211229 /nfs/dbraw/zinc/21/12/29/390211229.db2.gz ODXNJKWZGWEJAT-CHWSQXEVSA-N 2 2 253.390 0.881 20 0 CCADLP CN1CCC[C@@H]([NH+](C)C[C@@H]2CCC[N@H+](C)C2)C1=O ZINC000539808727 390211232 /nfs/dbraw/zinc/21/12/32/390211232.db2.gz ODXNJKWZGWEJAT-CHWSQXEVSA-N 2 2 253.390 0.881 20 0 CCADLP CN1CCC[C@@H]([NH+](C)C[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC000539808727 390211233 /nfs/dbraw/zinc/21/12/33/390211233.db2.gz ODXNJKWZGWEJAT-CHWSQXEVSA-N 2 2 253.390 0.881 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903983 390212997 /nfs/dbraw/zinc/21/29/97/390212997.db2.gz UNWJDMZLHJJPOW-CHWSQXEVSA-N 2 2 289.445 0.390 20 0 CCADLP CCS(=O)(=O)NCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903983 390213000 /nfs/dbraw/zinc/21/30/00/390213000.db2.gz UNWJDMZLHJJPOW-CHWSQXEVSA-N 2 2 289.445 0.390 20 0 CCADLP CC[C@@H]1C[N@H+](C[C@@H](C)CS(C)(=O)=O)CC[C@@H]1[NH3+] ZINC000647936659 390223197 /nfs/dbraw/zinc/22/31/97/390223197.db2.gz JIINCDUDFPGAMW-UTUOFQBUSA-N 2 2 262.419 0.726 20 0 CCADLP CC[C@@H]1C[N@@H+](C[C@@H](C)CS(C)(=O)=O)CC[C@@H]1[NH3+] ZINC000647936659 390223199 /nfs/dbraw/zinc/22/31/99/390223199.db2.gz JIINCDUDFPGAMW-UTUOFQBUSA-N 2 2 262.419 0.726 20 0 CCADLP CN1CCC[C@@H]([N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000540908029 390227765 /nfs/dbraw/zinc/22/77/65/390227765.db2.gz ANIFUUDECSGLQZ-ZIAGYGMSSA-N 2 2 281.400 0.261 20 0 CCADLP CN1CCC[C@@H]([N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000540908029 390227767 /nfs/dbraw/zinc/22/77/67/390227767.db2.gz ANIFUUDECSGLQZ-ZIAGYGMSSA-N 2 2 281.400 0.261 20 0 CCADLP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@H+](C)CCC[NH3+] ZINC000647848411 390192054 /nfs/dbraw/zinc/19/20/54/390192054.db2.gz QJCSKAHLAZHTBA-ZIAGYGMSSA-N 2 2 285.432 0.979 20 0 CCADLP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+](C)CCC[NH3+] ZINC000647848411 390192058 /nfs/dbraw/zinc/19/20/58/390192058.db2.gz QJCSKAHLAZHTBA-ZIAGYGMSSA-N 2 2 285.432 0.979 20 0 CCADLP CCCC1(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1 ZINC000580293466 390235229 /nfs/dbraw/zinc/23/52/29/390235229.db2.gz PSWYHXMKBDUQFS-GFCCVEGCSA-N 2 2 268.405 0.851 20 0 CCADLP CCCC1(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1 ZINC000580293466 390235234 /nfs/dbraw/zinc/23/52/34/390235234.db2.gz PSWYHXMKBDUQFS-GFCCVEGCSA-N 2 2 268.405 0.851 20 0 CCADLP Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000647990819 390241129 /nfs/dbraw/zinc/24/11/29/390241129.db2.gz KIJWVDCLHFNTCA-AWEZNQCLSA-N 2 2 293.415 0.305 20 0 CCADLP Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000647990819 390241131 /nfs/dbraw/zinc/24/11/31/390241131.db2.gz KIJWVDCLHFNTCA-AWEZNQCLSA-N 2 2 293.415 0.305 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC000281763555 195370217 /nfs/dbraw/zinc/37/02/17/195370217.db2.gz ZYMKZDNVMAKILS-CHWSQXEVSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)CCc2c[nH+]cn2C)[C@H](C)C1 ZINC000281763555 195370220 /nfs/dbraw/zinc/37/02/20/195370220.db2.gz ZYMKZDNVMAKILS-CHWSQXEVSA-N 2 2 294.399 0.266 20 0 CCADLP CC[NH+](CC)CCC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000647967244 390233397 /nfs/dbraw/zinc/23/33/97/390233397.db2.gz CDRSMHXRXZECDZ-OAHLLOKOSA-N 3 2 268.449 0.698 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000647971461 390234519 /nfs/dbraw/zinc/23/45/19/390234519.db2.gz JMKOEKWTFWPRNV-OAHLLOKOSA-N 2 2 297.443 0.678 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000647971461 390234522 /nfs/dbraw/zinc/23/45/22/390234522.db2.gz JMKOEKWTFWPRNV-OAHLLOKOSA-N 2 2 297.443 0.678 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)CC[C@H]1[NH3+] ZINC000648126424 390296222 /nfs/dbraw/zinc/29/62/22/390296222.db2.gz JBNCKFUWHCIFRD-BFHYXJOUSA-N 2 2 282.432 0.208 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)no1 ZINC000644556930 390251941 /nfs/dbraw/zinc/25/19/41/390251941.db2.gz VCDOUAKURNPEJR-CYBMUJFWSA-N 2 2 292.383 0.807 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)no1 ZINC000644556930 390251943 /nfs/dbraw/zinc/25/19/43/390251943.db2.gz VCDOUAKURNPEJR-CYBMUJFWSA-N 2 2 292.383 0.807 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H](C[NH3+])c2ccccc2)CCO1 ZINC000582183394 390267105 /nfs/dbraw/zinc/26/71/05/390267105.db2.gz LLXQFZTTXPXSMV-ZFWWWQNUSA-N 2 2 291.395 0.566 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H](C[NH3+])c2ccccc2)CCO1 ZINC000582183394 390267108 /nfs/dbraw/zinc/26/71/08/390267108.db2.gz LLXQFZTTXPXSMV-ZFWWWQNUSA-N 2 2 291.395 0.566 20 0 CCADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCCCO)CC1 ZINC000582188962 390268436 /nfs/dbraw/zinc/26/84/36/390268436.db2.gz BDXLHTLMTYKGOJ-ZDUSSCGKSA-N 2 2 256.390 0.944 20 0 CCADLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCCCO)CC1 ZINC000582188962 390268439 /nfs/dbraw/zinc/26/84/39/390268439.db2.gz BDXLHTLMTYKGOJ-ZDUSSCGKSA-N 2 2 256.390 0.944 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000544038905 390297803 /nfs/dbraw/zinc/29/78/03/390297803.db2.gz WNKDJICFDZZFBT-LBPRGKRZSA-N 2 2 278.356 0.235 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@H](CO)Cc1cccnc1)C1CC1 ZINC000583322565 390283175 /nfs/dbraw/zinc/28/31/75/390283175.db2.gz ORFURIFQTVWPKN-DZGCQCFKSA-N 2 2 279.384 0.030 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@H](CO)Cc1cccnc1)C1CC1 ZINC000583322565 390283178 /nfs/dbraw/zinc/28/31/78/390283178.db2.gz ORFURIFQTVWPKN-DZGCQCFKSA-N 2 2 279.384 0.030 20 0 CCADLP COC(=O)c1csc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000593909953 390366866 /nfs/dbraw/zinc/36/68/66/390366866.db2.gz OLGPQNBYCWGNOY-VIFPVBQESA-N 2 2 285.369 0.752 20 0 CCADLP C[C@H](C(=O)N1CCC[C@H](CC[NH3+])C1)[NH+]1CCN(C)CC1 ZINC000648130077 390299953 /nfs/dbraw/zinc/29/99/53/390299953.db2.gz HHUWYRAJXZLQBF-ZIAGYGMSSA-N 2 2 282.432 0.210 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000496174035 390314866 /nfs/dbraw/zinc/31/48/66/390314866.db2.gz WHPQAUFXKLRRLI-ZDUSSCGKSA-N 2 2 278.356 0.879 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000496174035 390314869 /nfs/dbraw/zinc/31/48/69/390314869.db2.gz WHPQAUFXKLRRLI-ZDUSSCGKSA-N 2 2 278.356 0.879 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000583820248 390315045 /nfs/dbraw/zinc/31/50/45/390315045.db2.gz UMHWTSXEWHWNNB-FPMFFAJLSA-N 2 2 256.390 0.798 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000583820248 390315048 /nfs/dbraw/zinc/31/50/48/390315048.db2.gz UMHWTSXEWHWNNB-FPMFFAJLSA-N 2 2 256.390 0.798 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000583820248 390315051 /nfs/dbraw/zinc/31/50/51/390315051.db2.gz UMHWTSXEWHWNNB-FPMFFAJLSA-N 2 2 256.390 0.798 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000583820248 390315053 /nfs/dbraw/zinc/31/50/53/390315053.db2.gz UMHWTSXEWHWNNB-FPMFFAJLSA-N 2 2 256.390 0.798 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000583921149 390323747 /nfs/dbraw/zinc/32/37/47/390323747.db2.gz VVXRRDIAJWXPDR-BETUJISGSA-N 2 2 291.399 0.900 20 0 CCADLP Cn1c[nH+]cc1CNC(=[NH2+])NCCNC(=O)OC(C)(C)C ZINC000496240623 390325128 /nfs/dbraw/zinc/32/51/28/390325128.db2.gz XKWDMINNKFFEQD-UHFFFAOYSA-N 2 2 296.375 0.559 20 0 CCADLP CCc1ncc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)s1 ZINC000584005397 390333724 /nfs/dbraw/zinc/33/37/24/390333724.db2.gz SHDKSBWWITYSIK-KOLCDFICSA-N 2 2 280.397 0.449 20 0 CCADLP CCc1ncc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)s1 ZINC000584005397 390333726 /nfs/dbraw/zinc/33/37/26/390333726.db2.gz SHDKSBWWITYSIK-KOLCDFICSA-N 2 2 280.397 0.449 20 0 CCADLP COc1c(O)cccc1CN1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000584351008 390338194 /nfs/dbraw/zinc/33/81/94/390338194.db2.gz MHUQJCFNWMVNQJ-LBPRGKRZSA-N 2 2 265.357 0.476 20 0 CCADLP COc1c(O)cccc1CN1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000584351008 390338198 /nfs/dbraw/zinc/33/81/98/390338198.db2.gz MHUQJCFNWMVNQJ-LBPRGKRZSA-N 2 2 265.357 0.476 20 0 CCADLP Nc1nc(NCCn2cc[nH+]c2)c2c([nH+]1)CCCC2 ZINC000645100037 390370712 /nfs/dbraw/zinc/37/07/12/390370712.db2.gz BENAYYJNSSHFFW-UHFFFAOYSA-N 2 2 258.329 0.498 20 0 CCADLP CCOC(=O)N1CC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000497023274 390404060 /nfs/dbraw/zinc/40/40/60/390404060.db2.gz SEIWWXHTYISXBY-SDDRHHMPSA-N 2 2 255.362 0.805 20 0 CCADLP Cn1ccnc1[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CC1 ZINC000547928914 390409477 /nfs/dbraw/zinc/40/94/77/390409477.db2.gz FZKRUUSADQBSEA-GXTWGEPZSA-N 2 2 264.373 0.527 20 0 CCADLP Cn1ccnc1[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC000547928914 390409480 /nfs/dbraw/zinc/40/94/80/390409480.db2.gz FZKRUUSADQBSEA-GXTWGEPZSA-N 2 2 264.373 0.527 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000643452403 390448069 /nfs/dbraw/zinc/44/80/69/390448069.db2.gz RLRJJXBJJAKBOC-IIAWOOMASA-N 3 2 280.460 0.743 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000643452403 390448072 /nfs/dbraw/zinc/44/80/72/390448072.db2.gz RLRJJXBJJAKBOC-IIAWOOMASA-N 3 2 280.460 0.743 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000643452403 390448075 /nfs/dbraw/zinc/44/80/75/390448075.db2.gz RLRJJXBJJAKBOC-IIAWOOMASA-N 3 2 280.460 0.743 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H](n2ccnn2)C1)C1CC1 ZINC000519596615 390515073 /nfs/dbraw/zinc/51/50/73/390515073.db2.gz SBXFZYOEFXDYOD-KBPBESRZSA-N 2 2 279.388 0.370 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H](n2ccnn2)C1)C1CC1 ZINC000519596615 390515078 /nfs/dbraw/zinc/51/50/78/390515078.db2.gz SBXFZYOEFXDYOD-KBPBESRZSA-N 2 2 279.388 0.370 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H](n2ccnn2)C1)C1CC1 ZINC000519596615 390515082 /nfs/dbraw/zinc/51/50/82/390515082.db2.gz SBXFZYOEFXDYOD-KBPBESRZSA-N 2 2 279.388 0.370 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H](n2ccnn2)C1)C1CC1 ZINC000519596615 390515085 /nfs/dbraw/zinc/51/50/85/390515085.db2.gz SBXFZYOEFXDYOD-KBPBESRZSA-N 2 2 279.388 0.370 20 0 CCADLP CC[NH2+]CC[NH2+][C@H](C)c1cccc(-n2cnnn2)c1 ZINC000643505280 390456736 /nfs/dbraw/zinc/45/67/36/390456736.db2.gz AWAGRSKYDFEWQG-LLVKDONJSA-N 2 2 260.345 0.922 20 0 CCADLP CO[C@@H]1C[C@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C12CCC2 ZINC000515523277 390477004 /nfs/dbraw/zinc/47/70/04/390477004.db2.gz XSQIJXHQSLQKKR-FRRDWIJNSA-N 2 2 296.415 0.228 20 0 CCADLP CO[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C12CCC2 ZINC000515523277 390477008 /nfs/dbraw/zinc/47/70/08/390477008.db2.gz XSQIJXHQSLQKKR-FRRDWIJNSA-N 2 2 296.415 0.228 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H]1CCC[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000649323210 390581062 /nfs/dbraw/zinc/58/10/62/390581062.db2.gz NMAIMQKWFRPGCP-RFQIPJPRSA-N 2 2 283.416 0.587 20 0 CCADLP CC[C@@H]1CCCC[N@@H+]1CCNC[C@@H](O)C[NH+]1CCOCC1 ZINC000519637571 390521192 /nfs/dbraw/zinc/52/11/92/390521192.db2.gz JNICAQLEGMLDIM-HZPDHXFCSA-N 2 2 299.459 0.534 20 0 CCADLP CC[C@@H]1CCCC[N@H+]1CCNC[C@@H](O)C[NH+]1CCOCC1 ZINC000519637571 390521197 /nfs/dbraw/zinc/52/11/97/390521197.db2.gz JNICAQLEGMLDIM-HZPDHXFCSA-N 2 2 299.459 0.534 20 0 CCADLP CCC[NH+]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000649210393 390523844 /nfs/dbraw/zinc/52/38/44/390523844.db2.gz OTNVLXDULXRQTR-ZDUSSCGKSA-N 2 2 276.384 1.000 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000565589078 390526814 /nfs/dbraw/zinc/52/68/14/390526814.db2.gz YMZQVYTUFPGZHG-MGPQQGTHSA-N 3 2 297.447 0.144 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000565589078 390526815 /nfs/dbraw/zinc/52/68/15/390526815.db2.gz YMZQVYTUFPGZHG-MGPQQGTHSA-N 3 2 297.447 0.144 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)C2)CC1 ZINC000649334134 390590372 /nfs/dbraw/zinc/59/03/72/390590372.db2.gz MYNZDFACIAUJDE-GBOPCIDUSA-N 3 2 292.427 0.022 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)C2)CC1 ZINC000649334134 390590373 /nfs/dbraw/zinc/59/03/73/390590373.db2.gz MYNZDFACIAUJDE-GBOPCIDUSA-N 3 2 292.427 0.022 20 0 CCADLP CC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000649287188 390552176 /nfs/dbraw/zinc/55/21/76/390552176.db2.gz LZPNEMQNVRBPPR-STQMWFEESA-N 2 2 251.330 0.860 20 0 CCADLP CC(=O)[C@@](C)(O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000649287188 390552179 /nfs/dbraw/zinc/55/21/79/390552179.db2.gz LZPNEMQNVRBPPR-STQMWFEESA-N 2 2 251.330 0.860 20 0 CCADLP CN(C)c1ccc(CNC(=O)COC2(C)C[NH2+]C2)c[nH+]1 ZINC000649292931 390553201 /nfs/dbraw/zinc/55/32/01/390553201.db2.gz MOJBPAPVUYMYFV-UHFFFAOYSA-N 2 2 278.356 0.142 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(C)(C)C[NH3+])C2)CC1 ZINC000645977503 390556218 /nfs/dbraw/zinc/55/62/18/390556218.db2.gz DDAXEFWXXKSUFV-LBPRGKRZSA-N 3 2 282.432 0.256 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(C)(C)C[NH3+])C2)CC1 ZINC000645977503 390556223 /nfs/dbraw/zinc/55/62/23/390556223.db2.gz DDAXEFWXXKSUFV-LBPRGKRZSA-N 3 2 282.432 0.256 20 0 CCADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649298068 390557876 /nfs/dbraw/zinc/55/78/76/390557876.db2.gz NULXGXUVUQFMOG-NHAGDIPZSA-N 2 2 286.379 0.632 20 0 CCADLP Nc1ccc(NC(=O)c2cn(CCCC[NH3+])nn2)c[nH+]1 ZINC000520407472 390573448 /nfs/dbraw/zinc/57/34/48/390573448.db2.gz DXMZDHCOHMFPPL-UHFFFAOYSA-N 2 2 275.316 0.077 20 0 CCADLP C[C@@H]1CCCN(c2cc(N3CCO[C@H](C[NH3+])C3)nc[nH+]2)C1 ZINC000521011130 390591914 /nfs/dbraw/zinc/59/19/14/390591914.db2.gz KHRHULCYGGVDJK-CHWSQXEVSA-N 2 2 291.399 0.877 20 0 CCADLP C[C@@H]1CCCN(c2cc(N3CCO[C@H](C[NH3+])C3)[nH+]cn2)C1 ZINC000521011130 390591916 /nfs/dbraw/zinc/59/19/16/390591916.db2.gz KHRHULCYGGVDJK-CHWSQXEVSA-N 2 2 291.399 0.877 20 0 CCADLP C[C@H]([C@H](C)NC(=O)NCC[C@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000521985457 390617411 /nfs/dbraw/zinc/61/74/11/390617411.db2.gz HPAGENGTPKTBIZ-BFHYXJOUSA-N 2 2 298.431 0.537 20 0 CCADLP CC[N@H+](C)C[C@H](O)Cn1ncc2c1nc[nH+]c2NC ZINC000566480944 390620327 /nfs/dbraw/zinc/62/03/27/390620327.db2.gz GOMMQUJJIDDGKC-VIFPVBQESA-N 2 2 264.333 0.181 20 0 CCADLP CC[N@@H+](C)C[C@H](O)Cn1ncc2c1nc[nH+]c2NC ZINC000566480944 390620329 /nfs/dbraw/zinc/62/03/29/390620329.db2.gz GOMMQUJJIDDGKC-VIFPVBQESA-N 2 2 264.333 0.181 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000566508968 390625498 /nfs/dbraw/zinc/62/54/98/390625498.db2.gz NUYDGXVGBZYWCV-GRYCIOLGSA-N 2 2 277.372 0.939 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000566508968 390625501 /nfs/dbraw/zinc/62/55/01/390625501.db2.gz NUYDGXVGBZYWCV-GRYCIOLGSA-N 2 2 277.372 0.939 20 0 CCADLP Cc1cccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])n1 ZINC000566962122 390661488 /nfs/dbraw/zinc/66/14/88/390661488.db2.gz VGJJXSPTUZXAGC-NSHDSACASA-N 2 2 263.345 0.497 20 0 CCADLP Cc1cccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])n1 ZINC000566962122 390661491 /nfs/dbraw/zinc/66/14/91/390661491.db2.gz VGJJXSPTUZXAGC-NSHDSACASA-N 2 2 263.345 0.497 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000523093495 390633588 /nfs/dbraw/zinc/63/35/88/390633588.db2.gz WASXQSYCTNOWLX-LBPRGKRZSA-N 2 2 257.378 0.164 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000523093495 390633591 /nfs/dbraw/zinc/63/35/91/390633591.db2.gz WASXQSYCTNOWLX-LBPRGKRZSA-N 2 2 257.378 0.164 20 0 CCADLP CC(C)[NH+](C)CC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000523093495 390633595 /nfs/dbraw/zinc/63/35/95/390633595.db2.gz WASXQSYCTNOWLX-LBPRGKRZSA-N 2 2 257.378 0.164 20 0 CCADLP CC(C)[NH+](C)CC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000523093495 390633598 /nfs/dbraw/zinc/63/35/98/390633598.db2.gz WASXQSYCTNOWLX-LBPRGKRZSA-N 2 2 257.378 0.164 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000646265262 390653853 /nfs/dbraw/zinc/65/38/53/390653853.db2.gz QKAMAACFEDPAGY-VXGBXAGGSA-N 2 2 278.356 0.140 20 0 CCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000646264920 390654123 /nfs/dbraw/zinc/65/41/23/390654123.db2.gz DDGWOTVEDCEEGS-WWGRRREGSA-N 2 2 286.379 0.776 20 0 CCADLP O=C1CCCN1CCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000525128101 390659161 /nfs/dbraw/zinc/65/91/61/390659161.db2.gz XNHQDYKAINSASG-HNNXBMFYSA-N 2 2 295.427 0.653 20 0 CCADLP O=C1CCCN1CCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000525128101 390659164 /nfs/dbraw/zinc/65/91/64/390659164.db2.gz XNHQDYKAINSASG-HNNXBMFYSA-N 2 2 295.427 0.653 20 0 CCADLP O=C1CCCN1CCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000525128102 390659578 /nfs/dbraw/zinc/65/95/78/390659578.db2.gz XNHQDYKAINSASG-OAHLLOKOSA-N 2 2 295.427 0.653 20 0 CCADLP O=C1CCCN1CCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000525128102 390659580 /nfs/dbraw/zinc/65/95/80/390659580.db2.gz XNHQDYKAINSASG-OAHLLOKOSA-N 2 2 295.427 0.653 20 0 CCADLP Cc1nc(N)c(CNC(=O)C[N@H+]2CC[C@H](C)C2)c[nH+]1 ZINC000521270724 390602793 /nfs/dbraw/zinc/60/27/93/390602793.db2.gz SCRGIYWUJYYGOH-VIFPVBQESA-N 2 2 263.345 0.156 20 0 CCADLP Cc1nc(N)c(CNC(=O)C[N@@H+]2CC[C@H](C)C2)c[nH+]1 ZINC000521270724 390602796 /nfs/dbraw/zinc/60/27/96/390602796.db2.gz SCRGIYWUJYYGOH-VIFPVBQESA-N 2 2 263.345 0.156 20 0 CCADLP CC1(C)C[C@H]([NH2+]CCCCN2CC[NH+](CCO)CC2)CO1 ZINC000521273281 390602953 /nfs/dbraw/zinc/60/29/53/390602953.db2.gz NMKJGFNCVGGMPI-HNNXBMFYSA-N 2 2 299.459 0.534 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000521285568 390603128 /nfs/dbraw/zinc/60/31/28/390603128.db2.gz AJTXKPJYGUUVLD-NSHDSACASA-N 2 2 265.361 0.561 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000521285568 390603134 /nfs/dbraw/zinc/60/31/34/390603134.db2.gz AJTXKPJYGUUVLD-NSHDSACASA-N 2 2 265.361 0.561 20 0 CCADLP O=C(NC[C@@H]1CCCC[NH2+]1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000646652128 390704084 /nfs/dbraw/zinc/70/40/84/390704084.db2.gz AASVKIUUFQFXKH-ZFWWWQNUSA-N 2 2 295.427 0.888 20 0 CCADLP O=C(NC[C@@H]1CCCC[NH2+]1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000646652128 390704086 /nfs/dbraw/zinc/70/40/86/390704086.db2.gz AASVKIUUFQFXKH-ZFWWWQNUSA-N 2 2 295.427 0.888 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000646690447 390709443 /nfs/dbraw/zinc/70/94/43/390709443.db2.gz VSAHTNLZVITLNC-JTQLQIEISA-N 2 2 256.375 0.647 20 0 CCADLP C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)C[C@H](C)[NH2+]1 ZINC000646736981 390714876 /nfs/dbraw/zinc/71/48/76/390714876.db2.gz HSYRAEPSUATJSP-QWRGUYRKSA-N 2 2 286.339 0.485 20 0 CCADLP CN(CCC[NH3+])C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000646782416 390719061 /nfs/dbraw/zinc/71/90/61/390719061.db2.gz VQUVRJFPIYRWOV-ZDUSSCGKSA-N 2 2 269.389 0.437 20 0 CCADLP CN(CCC[NH3+])C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000646782416 390719062 /nfs/dbraw/zinc/71/90/62/390719062.db2.gz VQUVRJFPIYRWOV-ZDUSSCGKSA-N 2 2 269.389 0.437 20 0 CCADLP COC[C@H](C)C[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000525863519 390667051 /nfs/dbraw/zinc/66/70/51/390667051.db2.gz NXIGVVVZUITBCS-CHWSQXEVSA-N 2 2 294.399 0.783 20 0 CCADLP NC(=O)[C@]1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCOC1 ZINC000571413868 390734384 /nfs/dbraw/zinc/73/43/84/390734384.db2.gz BCYHKUPASFIEQC-HNNXBMFYSA-N 2 2 286.335 0.606 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2C[C@@H](O)C2(C)C)C[C@H](C)O1 ZINC000567235440 390681557 /nfs/dbraw/zinc/68/15/57/390681557.db2.gz KOZYSOLDKRNOBJ-XVIXHAIJSA-N 2 2 286.416 0.206 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2C[C@@H](O)C2(C)C)C[C@H](C)O1 ZINC000567235440 390681558 /nfs/dbraw/zinc/68/15/58/390681558.db2.gz KOZYSOLDKRNOBJ-XVIXHAIJSA-N 2 2 286.416 0.206 20 0 CCADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@H](O)COCc1cccs1 ZINC000567353049 390694384 /nfs/dbraw/zinc/69/43/84/390694384.db2.gz YGUXQKMOFBFQDF-RYUDHWBXSA-N 2 2 288.413 0.138 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCN1C(=O)NC2(CCCC2)C1=O ZINC000571753018 390750706 /nfs/dbraw/zinc/75/07/06/390750706.db2.gz KFSGZGAPDGJNII-NEPJUHHUSA-N 2 2 294.399 0.439 20 0 CCADLP CC[C@H]1CN(C(=O)C[N@H+](C)CC(=O)NC(C)C)CC[C@H]1[NH3+] ZINC000647005499 390756432 /nfs/dbraw/zinc/75/64/32/390756432.db2.gz AURISAOYXFANOG-QWHCGFSZSA-N 2 2 298.431 0.029 20 0 CCADLP CC[C@H]1CN(C(=O)C[N@@H+](C)CC(=O)NC(C)C)CC[C@H]1[NH3+] ZINC000647005499 390756434 /nfs/dbraw/zinc/75/64/34/390756434.db2.gz AURISAOYXFANOG-QWHCGFSZSA-N 2 2 298.431 0.029 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000572026809 390764557 /nfs/dbraw/zinc/76/45/57/390764557.db2.gz CVXIKQVOGRDSMM-DHGKCCLASA-N 2 2 281.400 0.352 20 0 CCADLP Cc1cn2cc(NC(=O)NC[C@@H]3COCC[NH2+]3)ccc2[nH+]1 ZINC000528675530 390767366 /nfs/dbraw/zinc/76/73/66/390767366.db2.gz DEAPRCSKCSCZQU-GFCCVEGCSA-N 2 2 289.339 0.753 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000528684047 390768606 /nfs/dbraw/zinc/76/86/06/390768606.db2.gz WEPACXLHQAYLDJ-AWEZNQCLSA-N 2 2 292.383 0.515 20 0 CCADLP CC1CC[NH+](CCNC(=O)NCCc2cn(C)c[nH+]2)CC1 ZINC000572339455 390778233 /nfs/dbraw/zinc/77/82/33/390778233.db2.gz YLILHPWBUYWDRU-UHFFFAOYSA-N 2 2 293.415 0.994 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3C[C@@H]([NH3+])C3)CC2)CC1 ZINC000572367418 390779983 /nfs/dbraw/zinc/77/99/83/390779983.db2.gz ZKXMZXNTWNKVJE-BETUJISGSA-N 3 2 294.443 0.399 20 0 CCADLP C[C@H](C(=O)N1CC[NH2+][C@H](c2ccncc2)C1)[NH+]1CC(C)C1 ZINC000572422307 390782943 /nfs/dbraw/zinc/78/29/43/390782943.db2.gz XZARQIHIYHQKRD-HIFRSBDPSA-N 2 2 288.395 0.895 20 0 CCADLP [NH3+]C[C@H](NC(=O)[C@@H]([NH3+])c1cscn1)C1CCCC1 ZINC000572475164 390784656 /nfs/dbraw/zinc/78/46/56/390784656.db2.gz XIZPMGYUPGXIQS-ONGXEEELSA-N 2 2 268.386 0.777 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000572605642 390792290 /nfs/dbraw/zinc/79/22/90/390792290.db2.gz SBVGBDHMRZOOEI-UKRRQHHQSA-N 2 2 297.443 0.896 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000572605642 390792291 /nfs/dbraw/zinc/79/22/91/390792291.db2.gz SBVGBDHMRZOOEI-UKRRQHHQSA-N 2 2 297.443 0.896 20 0 CCADLP CC[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC000572629892 390793174 /nfs/dbraw/zinc/79/31/74/390793174.db2.gz VQCQBPPGVREDPA-NSHDSACASA-N 2 2 250.346 0.421 20 0 CCADLP CC[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC000572629892 390793176 /nfs/dbraw/zinc/79/31/76/390793176.db2.gz VQCQBPPGVREDPA-NSHDSACASA-N 2 2 250.346 0.421 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CC(C)(C)[C@@]2(O)CCOC2)n1C ZINC000647247215 390796829 /nfs/dbraw/zinc/79/68/29/390796829.db2.gz CYXBHPRRAPVEPT-OAHLLOKOSA-N 2 2 296.415 0.753 20 0 CCADLP Cc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1F ZINC000572705240 390798017 /nfs/dbraw/zinc/79/80/17/390798017.db2.gz ZWMGPNNOOSGGDK-CYBMUJFWSA-N 2 2 294.374 0.918 20 0 CCADLP Cc1ccc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1F ZINC000572705240 390798019 /nfs/dbraw/zinc/79/80/19/390798019.db2.gz ZWMGPNNOOSGGDK-CYBMUJFWSA-N 2 2 294.374 0.918 20 0 CCADLP CC[NH+]1C[C@@H](C)N(C(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H](C)C1 ZINC000571416547 390735168 /nfs/dbraw/zinc/73/51/68/390735168.db2.gz LJWJAFKBAKKOCO-MCIONIFRSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1C[C@@H](C)N(C(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H](C)C1 ZINC000571416547 390735170 /nfs/dbraw/zinc/73/51/70/390735170.db2.gz LJWJAFKBAKKOCO-MCIONIFRSA-N 2 2 283.416 0.648 20 0 CCADLP O[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)CC1(O)CCC1 ZINC000528386722 390739812 /nfs/dbraw/zinc/73/98/12/390739812.db2.gz DFOKIZGFIDWFMN-GJZGRUSLSA-N 2 2 298.427 0.307 20 0 CCADLP O[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)CC1(O)CCC1 ZINC000528386722 390739815 /nfs/dbraw/zinc/73/98/15/390739815.db2.gz DFOKIZGFIDWFMN-GJZGRUSLSA-N 2 2 298.427 0.307 20 0 CCADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1cccc(-n2ccnn2)c1 ZINC000571633614 390745005 /nfs/dbraw/zinc/74/50/05/390745005.db2.gz PGKPKSQFCXXFPH-DOMZBBRYSA-N 2 2 287.367 0.906 20 0 CCADLP CC(C)(C[NH3+])NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000571634040 390745303 /nfs/dbraw/zinc/74/53/03/390745303.db2.gz MMSOPMBXAYFKLJ-UHFFFAOYSA-N 2 2 263.332 0.817 20 0 CCADLP CC1(C)C[NH+](CC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000578203019 390870500 /nfs/dbraw/zinc/87/05/00/390870500.db2.gz FVRNZMCWZHQGOV-NSHDSACASA-N 2 2 251.374 0.681 20 0 CCADLP CC1(C)C[NH+](CC(=O)N[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000578203019 390870502 /nfs/dbraw/zinc/87/05/02/390870502.db2.gz FVRNZMCWZHQGOV-NSHDSACASA-N 2 2 251.374 0.681 20 0 CCADLP NC(=O)CC[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000578231726 390871765 /nfs/dbraw/zinc/87/17/65/390871765.db2.gz FBHGPSAPOPLIRT-UHFFFAOYSA-N 2 2 290.411 0.664 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000572982928 390816492 /nfs/dbraw/zinc/81/64/92/390816492.db2.gz BRGRRCFSGSKGTH-VXGBXAGGSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000572982928 390816493 /nfs/dbraw/zinc/81/64/93/390816493.db2.gz BRGRRCFSGSKGTH-VXGBXAGGSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000572982928 390816495 /nfs/dbraw/zinc/81/64/95/390816495.db2.gz BRGRRCFSGSKGTH-VXGBXAGGSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000572982928 390816496 /nfs/dbraw/zinc/81/64/96/390816496.db2.gz BRGRRCFSGSKGTH-VXGBXAGGSA-N 2 2 280.372 0.113 20 0 CCADLP Cc1ncccc1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000529370396 390820209 /nfs/dbraw/zinc/82/02/09/390820209.db2.gz BDDUIVXOWPKVTA-CYBMUJFWSA-N 2 2 277.372 0.174 20 0 CCADLP CC(C)OCC[C@@H](O)C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000647530173 390834373 /nfs/dbraw/zinc/83/43/73/390834373.db2.gz XYZDOAUKXVSNBE-HUUCEWRRSA-N 2 2 288.432 0.599 20 0 CCADLP CC(C)OCC[C@@H](O)C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000647530173 390834374 /nfs/dbraw/zinc/83/43/74/390834374.db2.gz XYZDOAUKXVSNBE-HUUCEWRRSA-N 2 2 288.432 0.599 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000528337036 285394837 /nfs/dbraw/zinc/39/48/37/285394837.db2.gz GNMNSYFLMPPPDN-UHFFFAOYSA-N 2 2 280.372 0.419 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000528337036 285394838 /nfs/dbraw/zinc/39/48/38/285394838.db2.gz GNMNSYFLMPPPDN-UHFFFAOYSA-N 2 2 280.372 0.419 20 0 CCADLP C[C@@H](C(=O)NCC[C@H]1CCC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000578443555 390884024 /nfs/dbraw/zinc/88/40/24/390884024.db2.gz DRRSVAAAFUVHAC-UONOGXRCSA-N 2 2 282.432 0.128 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CCCN2CC[NH+](C)CC2)n1C ZINC000578453666 390885328 /nfs/dbraw/zinc/88/53/28/390885328.db2.gz BEJYADRSKRQABC-UHFFFAOYSA-N 3 2 265.405 0.456 20 0 CCADLP CC(=O)Nc1ccc(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cn1 ZINC000578500048 390887208 /nfs/dbraw/zinc/88/72/08/390887208.db2.gz JTLWDFGPPNCSSZ-AWEZNQCLSA-N 2 2 292.383 0.585 20 0 CCADLP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCC[NH2+]CC1 ZINC000578625260 390894939 /nfs/dbraw/zinc/89/49/39/390894939.db2.gz GZCANNYBWDNYSW-UHFFFAOYSA-N 2 2 271.324 0.703 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](C)[NH2+]C2CC2)[C@@H](C)C1 ZINC000423860576 533420515 /nfs/dbraw/zinc/42/05/15/533420515.db2.gz NKPZYWWQSXTWEE-NWDGAFQWSA-N 2 2 297.399 0.223 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](C)[NH2+]C2CC2)[C@@H](C)C1 ZINC000423860576 533420520 /nfs/dbraw/zinc/42/05/20/533420520.db2.gz NKPZYWWQSXTWEE-NWDGAFQWSA-N 2 2 297.399 0.223 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H](C)[NH2+]C2CC2)C[C@@H]1C ZINC000423894713 533422446 /nfs/dbraw/zinc/42/24/46/533422446.db2.gz MEPVJDOAVIRJOI-RYUDHWBXSA-N 2 2 297.399 0.223 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H](C)[NH2+]C2CC2)C[C@@H]1C ZINC000423894713 533422448 /nfs/dbraw/zinc/42/24/48/533422448.db2.gz MEPVJDOAVIRJOI-RYUDHWBXSA-N 2 2 297.399 0.223 20 0 CCADLP CO[C@@H]1C[N@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@@H]1OC ZINC000425335535 533479752 /nfs/dbraw/zinc/47/97/52/533479752.db2.gz IFOXGYUMCGOGCH-TXEJJXNPSA-N 2 2 268.361 0.332 20 0 CCADLP CO[C@@H]1C[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@@H]1OC ZINC000425335535 533479755 /nfs/dbraw/zinc/47/97/55/533479755.db2.gz IFOXGYUMCGOGCH-TXEJJXNPSA-N 2 2 268.361 0.332 20 0 CCADLP Cn1c[nH+]cc1CNc1ccn(C2CC[NH+](C)CC2)n1 ZINC000366748493 130050602 /nfs/dbraw/zinc/05/06/02/130050602.db2.gz BGMSSLWBRZZSJN-UHFFFAOYSA-N 2 2 274.372 0.917 20 0 CCADLP CC(C)n1cc(C[NH2+]C[C@H](C)C[NH+]2CCOCC2)nn1 ZINC000342109801 130266851 /nfs/dbraw/zinc/26/68/51/130266851.db2.gz VMMCENURKWOINL-ZDUSSCGKSA-N 2 2 281.404 0.917 20 0 CCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCCc1cn(C)c[nH+]1 ZINC000529332410 285450697 /nfs/dbraw/zinc/45/06/97/285450697.db2.gz RTOLULVRDXJOEV-ZDUSSCGKSA-N 2 2 279.388 0.602 20 0 CCADLP CC(C)CCOCCNC(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000342140173 130297775 /nfs/dbraw/zinc/29/77/75/130297775.db2.gz OBUOWWYIMREAIG-UHFFFAOYSA-N 2 2 271.405 0.636 20 0 CCADLP Cc1cc(N2CC[C@H]([NH2+]CC3([NH3+])CCC3)C2=O)n(C)n1 ZINC000342142138 130333123 /nfs/dbraw/zinc/33/31/23/130333123.db2.gz RYSQWNVXPNLGJB-NSHDSACASA-N 2 2 277.372 0.305 20 0 CCADLP C[C@@H](C(=O)NCc1cc[nH+]c(N2CCOCC2)c1)[C@H](C)[NH3+] ZINC000192094454 130369863 /nfs/dbraw/zinc/36/98/63/130369863.db2.gz GAZUUZDTQCRKJH-NEPJUHHUSA-N 2 2 292.383 0.518 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000227458046 130844832 /nfs/dbraw/zinc/84/48/32/130844832.db2.gz HIKCCYKCYQJOBR-IJLUTSLNSA-N 2 2 250.346 0.776 20 0 CCADLP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1COCC[NH2+]1 ZINC000237051540 131000244 /nfs/dbraw/zinc/00/02/44/131000244.db2.gz RCLDJCKNYRILPM-CQSZACIVSA-N 2 2 277.368 0.984 20 0 CCADLP C[C@@H](CNC(=O)c1ccc(C[NH3+])cc1)[NH+]1CCOCC1 ZINC000237618071 131048187 /nfs/dbraw/zinc/04/81/87/131048187.db2.gz ZKLNEDHEPBYICG-LBPRGKRZSA-N 2 2 277.368 0.596 20 0 CCADLP C[C@H]1CN(c2ccc(CNC(=O)C(C)(C)[NH3+])c[nH+]2)CCO1 ZINC000237694935 131053216 /nfs/dbraw/zinc/05/32/16/131053216.db2.gz MUZPHMHOQMTDTG-NSHDSACASA-N 2 2 292.383 0.660 20 0 CCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1CSC[NH2+]1 ZINC000238084839 131075863 /nfs/dbraw/zinc/07/58/63/131075863.db2.gz LFOMZBNISUPUBZ-GFCCVEGCSA-N 2 2 292.408 0.961 20 0 CCADLP CN1CC[N@H+](C)[C@@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000250421124 131126717 /nfs/dbraw/zinc/12/67/17/131126717.db2.gz ZENXKMDOKFLQEQ-DKUMPPAJSA-N 2 2 294.443 0.269 20 0 CCADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000250421124 131126719 /nfs/dbraw/zinc/12/67/19/131126719.db2.gz ZENXKMDOKFLQEQ-DKUMPPAJSA-N 2 2 294.443 0.269 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC000261584720 131153750 /nfs/dbraw/zinc/15/37/50/131153750.db2.gz SOBGGMWPURZTSS-NTZNESFSSA-N 2 2 250.346 0.776 20 0 CCADLP CCC[C@@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000262102363 131191341 /nfs/dbraw/zinc/19/13/41/131191341.db2.gz CPPWMHLWPJRMCU-CYBMUJFWSA-N 2 2 292.383 0.662 20 0 CCADLP C[C@@H](C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)[NH+](C)C ZINC000684069060 545608591 /nfs/dbraw/zinc/60/85/91/545608591.db2.gz FWLRDLXHXUGSIG-LBPRGKRZSA-N 2 2 271.405 0.506 20 0 CCADLP C[C@@H](C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)[NH+](C)C ZINC000684069060 545608593 /nfs/dbraw/zinc/60/85/93/545608593.db2.gz FWLRDLXHXUGSIG-LBPRGKRZSA-N 2 2 271.405 0.506 20 0 CCADLP O=C(NCc1ccn2cc[nH+]c2c1)[C@@H]1CSC[NH2+]1 ZINC000262612511 131241910 /nfs/dbraw/zinc/24/19/10/131241910.db2.gz AXINQXALMQCZQI-JTQLQIEISA-N 2 2 262.338 0.613 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000262942173 131275068 /nfs/dbraw/zinc/27/50/68/131275068.db2.gz UQKDTSOGBWYOML-GFCCVEGCSA-N 2 2 276.340 0.623 20 0 CCADLP CCn1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)cn1 ZINC000268920821 132089111 /nfs/dbraw/zinc/08/91/11/132089111.db2.gz OTUIXYBLSNDJGY-TZMCWYRMSA-N 2 2 293.415 0.893 20 0 CCADLP CCn1cc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)cn1 ZINC000268920821 132089113 /nfs/dbraw/zinc/08/91/13/132089113.db2.gz OTUIXYBLSNDJGY-TZMCWYRMSA-N 2 2 293.415 0.893 20 0 CCADLP C[NH2+][C@H]1CCN(C(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000269102479 132112550 /nfs/dbraw/zinc/11/25/50/132112550.db2.gz ALJLLATUTSNULL-NSHDSACASA-N 2 2 258.325 0.697 20 0 CCADLP C[C@@]1(C(=O)NCc2cn3c([nH+]2)CCCC3)CC[NH2+]C1 ZINC000269226740 132136610 /nfs/dbraw/zinc/13/66/10/132136610.db2.gz AERPNAGAXZGMIK-CQSZACIVSA-N 2 2 262.357 0.835 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)[C@@H]3COCC[NH2+]3)cn2c1 ZINC000269256541 132144458 /nfs/dbraw/zinc/14/44/58/132144458.db2.gz SVXKOQBMPMINMA-LBPRGKRZSA-N 2 2 274.324 0.247 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H]1CCCn2nccc21 ZINC000657881199 413071869 /nfs/dbraw/zinc/07/18/69/413071869.db2.gz RMUDLVNVWYKNKM-STQMWFEESA-N 2 2 263.389 0.553 20 0 CCADLP CSCC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000171504236 335067515 /nfs/dbraw/zinc/06/75/15/335067515.db2.gz KJOJOWOSTPOCEJ-UHFFFAOYSA-N 2 2 271.430 0.589 20 0 CCADLP Cn1ncc2c1nc[nH+]c2N1CC(n2cc[nH+]c2)C1 ZINC000531578870 285731290 /nfs/dbraw/zinc/73/12/90/285731290.db2.gz NYSITBXDCAWUHA-UHFFFAOYSA-N 2 2 255.285 0.621 20 0 CCADLP COCC[N@H+](Cc1ccnn1C)C[C@]1(C)CC[NH2+]C1 ZINC000262115677 143938936 /nfs/dbraw/zinc/93/89/36/143938936.db2.gz WVYUHRNOJCYTSX-CQSZACIVSA-N 2 2 266.389 0.868 20 0 CCADLP COCC[N@@H+](Cc1ccnn1C)C[C@]1(C)CC[NH2+]C1 ZINC000262115677 143938938 /nfs/dbraw/zinc/93/89/38/143938938.db2.gz WVYUHRNOJCYTSX-CQSZACIVSA-N 2 2 266.389 0.868 20 0 CCADLP CC[C@H](C(N)=O)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000115546370 397411349 /nfs/dbraw/zinc/41/13/49/397411349.db2.gz OBAPKXKCIFNAPV-GFCCVEGCSA-N 2 2 257.378 0.029 20 0 CCADLP CC[C@H](C(N)=O)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000115546370 397411350 /nfs/dbraw/zinc/41/13/50/397411350.db2.gz OBAPKXKCIFNAPV-GFCCVEGCSA-N 2 2 257.378 0.029 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000356880175 144040190 /nfs/dbraw/zinc/04/01/90/144040190.db2.gz NUVGFOMEWAUVBA-MGPQQGTHSA-N 2 2 283.416 0.506 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000356880175 144040192 /nfs/dbraw/zinc/04/01/92/144040192.db2.gz NUVGFOMEWAUVBA-MGPQQGTHSA-N 2 2 283.416 0.506 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C)[C@@H](C)[C@@H]2C)C1 ZINC000356903460 144042543 /nfs/dbraw/zinc/04/25/43/144042543.db2.gz PNUNHCODANVLPS-AVGNSLFASA-N 2 2 269.389 0.258 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C)[C@@H](C)[C@@H]2C)C1 ZINC000356903460 144042544 /nfs/dbraw/zinc/04/25/44/144042544.db2.gz PNUNHCODANVLPS-AVGNSLFASA-N 2 2 269.389 0.258 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)C1 ZINC000356903460 144042545 /nfs/dbraw/zinc/04/25/45/144042545.db2.gz PNUNHCODANVLPS-AVGNSLFASA-N 2 2 269.389 0.258 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)C1 ZINC000356903460 144042546 /nfs/dbraw/zinc/04/25/46/144042546.db2.gz PNUNHCODANVLPS-AVGNSLFASA-N 2 2 269.389 0.258 20 0 CCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000356902300 144042781 /nfs/dbraw/zinc/04/27/81/144042781.db2.gz QQQCLSMIKPRYMM-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP [NH3+]CCOCC[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000357032769 144052425 /nfs/dbraw/zinc/05/24/25/144052425.db2.gz SYKFXRYOUJMANR-UHFFFAOYSA-N 2 2 277.368 0.420 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357088867 144059112 /nfs/dbraw/zinc/05/91/12/144059112.db2.gz TXPNINJGNSMLSF-YNEHKIRRSA-N 2 2 296.415 0.398 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357088867 144059113 /nfs/dbraw/zinc/05/91/13/144059113.db2.gz TXPNINJGNSMLSF-YNEHKIRRSA-N 2 2 296.415 0.398 20 0 CCADLP COCCCn1nccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357105209 144060817 /nfs/dbraw/zinc/06/08/17/144060817.db2.gz MZQGJYVMHXICDB-UONOGXRCSA-N 2 2 278.400 0.961 20 0 CCADLP COCCCn1nccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357105209 144060818 /nfs/dbraw/zinc/06/08/18/144060818.db2.gz MZQGJYVMHXICDB-UONOGXRCSA-N 2 2 278.400 0.961 20 0 CCADLP C[C@H](C(=O)NCc1ccn2cc[nH+]c2c1)C1C[NH2+]C1 ZINC000357234509 144071247 /nfs/dbraw/zinc/07/12/47/144071247.db2.gz APRXKSMOOFTXEV-JTQLQIEISA-N 2 2 258.325 0.806 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000357381647 144086779 /nfs/dbraw/zinc/08/67/79/144086779.db2.gz SUXIXWBAUMCIPB-LSDHHAIUSA-N 2 2 295.427 0.509 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000357381647 144086780 /nfs/dbraw/zinc/08/67/80/144086780.db2.gz SUXIXWBAUMCIPB-LSDHHAIUSA-N 2 2 295.427 0.509 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CC2(C1)CCCOC2)C1CC1 ZINC000357442779 144092153 /nfs/dbraw/zinc/09/21/53/144092153.db2.gz UXHOBQITQLIGTM-ZDUSSCGKSA-N 2 2 254.374 0.554 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CC2(C1)CCCOC2)C1CC1 ZINC000357442779 144092155 /nfs/dbraw/zinc/09/21/55/144092155.db2.gz UXHOBQITQLIGTM-ZDUSSCGKSA-N 2 2 254.374 0.554 20 0 CCADLP C[C@H]1CCCN(C(=O)C[N@H+](C)C2CC[NH+](CCO)CC2)C1 ZINC000357644204 144107708 /nfs/dbraw/zinc/10/77/08/144107708.db2.gz CCVOQYYRXZBCSA-AWEZNQCLSA-N 2 2 297.443 0.633 20 0 CCADLP C[C@H]1CCCN(C(=O)C[N@@H+](C)C2CC[NH+](CCO)CC2)C1 ZINC000357644204 144107710 /nfs/dbraw/zinc/10/77/10/144107710.db2.gz CCVOQYYRXZBCSA-AWEZNQCLSA-N 2 2 297.443 0.633 20 0 CCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[NH+](C)[C@@H](C)C2)C1 ZINC000358664108 144169964 /nfs/dbraw/zinc/16/99/64/144169964.db2.gz LGUASFSIWJABAC-HZSPNIEDSA-N 2 2 283.416 0.647 20 0 CCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[NH+](C)[C@@H](C)C2)C1 ZINC000358664108 144169965 /nfs/dbraw/zinc/16/99/65/144169965.db2.gz LGUASFSIWJABAC-HZSPNIEDSA-N 2 2 283.416 0.647 20 0 CCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)C1 ZINC000358664108 144169967 /nfs/dbraw/zinc/16/99/67/144169967.db2.gz LGUASFSIWJABAC-HZSPNIEDSA-N 2 2 283.416 0.647 20 0 CCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)C1 ZINC000358664108 144169968 /nfs/dbraw/zinc/16/99/68/144169968.db2.gz LGUASFSIWJABAC-HZSPNIEDSA-N 2 2 283.416 0.647 20 0 CCADLP CS[C@H]1CN(CC[NH+]2CCOCC2)C[C@H]1[NH+]1CCCC1 ZINC000358828529 144182109 /nfs/dbraw/zinc/18/21/09/144182109.db2.gz QTDMFTKPHURFDN-CABCVRRESA-N 2 2 299.484 0.830 20 0 CCADLP C[C@H]1[C@H](NC(=O)N2CCn3c[nH+]cc3C2)CCC[N@@H+]1C ZINC000359189004 144200055 /nfs/dbraw/zinc/20/00/55/144200055.db2.gz FJJVVKVGWNGCNE-WCQYABFASA-N 2 2 277.372 0.891 20 0 CCADLP C[C@H]1[C@H](NC(=O)N2CCn3c[nH+]cc3C2)CCC[N@H+]1C ZINC000359189004 144200056 /nfs/dbraw/zinc/20/00/56/144200056.db2.gz FJJVVKVGWNGCNE-WCQYABFASA-N 2 2 277.372 0.891 20 0 CCADLP CCOCC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000369724297 144278486 /nfs/dbraw/zinc/27/84/86/144278486.db2.gz UYVXOZSRHHERGS-HUUCEWRRSA-N 2 2 286.416 0.428 20 0 CCADLP CCOCC[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000369724297 144278487 /nfs/dbraw/zinc/27/84/87/144278487.db2.gz UYVXOZSRHHERGS-HUUCEWRRSA-N 2 2 286.416 0.428 20 0 CCADLP C[C@@H]1C[N@H+](Cc2ccn(C)n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370705233 144313055 /nfs/dbraw/zinc/31/30/55/144313055.db2.gz FOHGSZWSFLJKAE-GDBMZVCRSA-N 2 2 291.443 0.878 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2ccn(C)n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370705233 144313056 /nfs/dbraw/zinc/31/30/56/144313056.db2.gz FOHGSZWSFLJKAE-GDBMZVCRSA-N 2 2 291.443 0.878 20 0 CCADLP O=C(NCCn1cc[nH+]c1)C1([NH+]2CCOCC2)CCC1 ZINC000371699810 144340920 /nfs/dbraw/zinc/34/09/20/144340920.db2.gz KFAPKCLKSIGPGZ-UHFFFAOYSA-N 2 2 278.356 0.254 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]2CCC[C@@H]21 ZINC000394124134 397515887 /nfs/dbraw/zinc/51/58/87/397515887.db2.gz IOWOBODOIOIEBI-RDBSUJKOSA-N 2 2 256.390 0.800 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]2CCC[C@@H]21 ZINC000394124134 397515892 /nfs/dbraw/zinc/51/58/92/397515892.db2.gz IOWOBODOIOIEBI-RDBSUJKOSA-N 2 2 256.390 0.800 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000394124134 397515895 /nfs/dbraw/zinc/51/58/95/397515895.db2.gz IOWOBODOIOIEBI-RDBSUJKOSA-N 2 2 256.390 0.800 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000394124134 397515899 /nfs/dbraw/zinc/51/58/99/397515899.db2.gz IOWOBODOIOIEBI-RDBSUJKOSA-N 2 2 256.390 0.800 20 0 CCADLP CN(C)C(=O)C[N@@H+]1CCCN(Cc2c[nH+]c[nH]2)CC1 ZINC000372392125 144365579 /nfs/dbraw/zinc/36/55/79/144365579.db2.gz JIUOQLAYZULYNI-UHFFFAOYSA-N 2 2 265.361 0.006 20 0 CCADLP CN(C)C(=O)C[N@H+]1CCCN(Cc2c[nH+]c[nH]2)CC1 ZINC000372392125 144365581 /nfs/dbraw/zinc/36/55/81/144365581.db2.gz JIUOQLAYZULYNI-UHFFFAOYSA-N 2 2 265.361 0.006 20 0 CCADLP NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CCCn1cc[nH+]c1 ZINC000372753071 144380266 /nfs/dbraw/zinc/38/02/66/144380266.db2.gz UNRVXYWQLVSOBX-AVGNSLFASA-N 2 2 262.357 0.859 20 0 CCADLP NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CCCn1cc[nH+]c1 ZINC000372753071 144380268 /nfs/dbraw/zinc/38/02/68/144380268.db2.gz UNRVXYWQLVSOBX-AVGNSLFASA-N 2 2 262.357 0.859 20 0 CCADLP COC(=O)[C@H]1C[C@@H](OC)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000373206585 144397091 /nfs/dbraw/zinc/39/70/91/144397091.db2.gz WIZVJWDKHVJOJL-NWDGAFQWSA-N 2 2 267.329 0.536 20 0 CCADLP COC(=O)[C@H]1C[C@@H](OC)CC[N@H+]1CCn1cc[nH+]c1 ZINC000373206585 144397093 /nfs/dbraw/zinc/39/70/93/144397093.db2.gz WIZVJWDKHVJOJL-NWDGAFQWSA-N 2 2 267.329 0.536 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@H](OC)C1 ZINC000388872841 397508019 /nfs/dbraw/zinc/50/80/19/397508019.db2.gz RMHAGKHGHRLGFI-HZSPNIEDSA-N 2 2 274.405 0.282 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@H](OC)C1 ZINC000388872841 397508022 /nfs/dbraw/zinc/50/80/22/397508022.db2.gz RMHAGKHGHRLGFI-HZSPNIEDSA-N 2 2 274.405 0.282 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H](OC)C1 ZINC000388872841 397508026 /nfs/dbraw/zinc/50/80/26/397508026.db2.gz RMHAGKHGHRLGFI-HZSPNIEDSA-N 2 2 274.405 0.282 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)[C@H](OC)C1 ZINC000388872841 397508029 /nfs/dbraw/zinc/50/80/29/397508029.db2.gz RMHAGKHGHRLGFI-HZSPNIEDSA-N 2 2 274.405 0.282 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)CCc1c[nH+]cn1C ZINC000526983345 397572238 /nfs/dbraw/zinc/57/22/38/397572238.db2.gz VQLQYESRZAHROK-LLVKDONJSA-N 2 2 261.329 0.754 20 0 CCADLP COC(=O)CC1(C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000440709940 397546318 /nfs/dbraw/zinc/54/63/18/397546318.db2.gz FAZQHQRJPWWLTL-UHFFFAOYSA-N 2 2 292.383 0.871 20 0 CCADLP CC[C@@H](C(N)=O)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000649625574 397649724 /nfs/dbraw/zinc/64/97/24/397649724.db2.gz JTBJTWXEZADAHF-LBPRGKRZSA-N 2 2 269.389 0.077 20 0 CCADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)CC[C@@H]1[NH3+] ZINC000649416815 397609283 /nfs/dbraw/zinc/60/92/83/397609283.db2.gz MRRFKMGZMVSPAV-ZNMIVQPWSA-N 3 2 296.459 0.598 20 0 CCADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)CC[C@@H]1[NH3+] ZINC000649416815 397609284 /nfs/dbraw/zinc/60/92/84/397609284.db2.gz MRRFKMGZMVSPAV-ZNMIVQPWSA-N 3 2 296.459 0.598 20 0 CCADLP Cn1cc(N2CC[C@H]([NH+]3CCC(C)([NH3+])CC3)C2=O)cn1 ZINC000649416033 397609754 /nfs/dbraw/zinc/60/97/54/397609754.db2.gz IVQLXPHIUUCDOS-LBPRGKRZSA-N 2 2 277.372 0.339 20 0 CCADLP Cc1cncc(CC[NH+]2CCN(C(=O)C[NH+](C)C)CC2)n1 ZINC000649486356 397620389 /nfs/dbraw/zinc/62/03/89/397620389.db2.gz JARHWKJKCNJIGY-UHFFFAOYSA-N 2 2 291.399 0.033 20 0 CCADLP Cc1cncc(CC[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000649541028 397631511 /nfs/dbraw/zinc/63/15/11/397631511.db2.gz OKCURFUXTPEWHU-HNNXBMFYSA-N 2 2 290.411 0.982 20 0 CCADLP Cc1cncc(CC[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000649541028 397631514 /nfs/dbraw/zinc/63/15/14/397631514.db2.gz OKCURFUXTPEWHU-HNNXBMFYSA-N 2 2 290.411 0.982 20 0 CCADLP Cc1cc(NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c(C)c[nH+]1 ZINC000650107608 397696479 /nfs/dbraw/zinc/69/64/79/397696479.db2.gz VRUIIABLJXYATR-CYBMUJFWSA-N 2 2 290.367 0.403 20 0 CCADLP Cc1cc(NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c(C)c[nH+]1 ZINC000650107608 397696487 /nfs/dbraw/zinc/69/64/87/397696487.db2.gz VRUIIABLJXYATR-CYBMUJFWSA-N 2 2 290.367 0.403 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@H](n2cc(CO)nn2)C1 ZINC000650725164 397749531 /nfs/dbraw/zinc/74/95/31/397749531.db2.gz UTEWGHBYVXDRIB-YPMHNXCESA-N 2 2 267.377 0.391 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@H](n2cc(CO)nn2)C1 ZINC000650725164 397749537 /nfs/dbraw/zinc/74/95/37/397749537.db2.gz UTEWGHBYVXDRIB-YPMHNXCESA-N 2 2 267.377 0.391 20 0 CCADLP C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000548085098 286003924 /nfs/dbraw/zinc/00/39/24/286003924.db2.gz BBEFKJNWZSLUAY-AJNGGQMLSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000548085098 286003925 /nfs/dbraw/zinc/00/39/25/286003925.db2.gz BBEFKJNWZSLUAY-AJNGGQMLSA-N 2 2 297.443 0.942 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424340549 286069572 /nfs/dbraw/zinc/06/95/72/286069572.db2.gz YBIWBLOGEIVGIJ-YNEHKIRRSA-N 2 2 271.405 0.777 20 0 CCADLP CCOCCNC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000175981949 286093757 /nfs/dbraw/zinc/09/37/57/286093757.db2.gz DSJVMBNXINYOHD-OLZOCXBDSA-N 2 2 271.405 0.554 20 0 CCADLP CCOCCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000175981949 286093759 /nfs/dbraw/zinc/09/37/59/286093759.db2.gz DSJVMBNXINYOHD-OLZOCXBDSA-N 2 2 271.405 0.554 20 0 CCADLP CCOCCNC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000175981949 286093761 /nfs/dbraw/zinc/09/37/61/286093761.db2.gz DSJVMBNXINYOHD-OLZOCXBDSA-N 2 2 271.405 0.554 20 0 CCADLP CCOCCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000175981949 286093762 /nfs/dbraw/zinc/09/37/62/286093762.db2.gz DSJVMBNXINYOHD-OLZOCXBDSA-N 2 2 271.405 0.554 20 0 CCADLP C[C@H](C(=O)N[C@@H](C)CN1CC[NH+](C)CC1)[NH+]1CC(C)C1 ZINC000553092163 286180490 /nfs/dbraw/zinc/18/04/90/286180490.db2.gz CCRIQUXFOBDBDP-UONOGXRCSA-N 2 2 282.432 0.079 20 0 CCADLP COCCCNC(=O)C1CC[NH+](C[C@H](C)[NH3+])CC1 ZINC000442662266 292355891 /nfs/dbraw/zinc/35/58/91/292355891.db2.gz HIHCZIAWZUPPHQ-NSHDSACASA-N 2 2 257.378 0.198 20 0 CCADLP COCCC[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000361219887 292377567 /nfs/dbraw/zinc/37/75/67/292377567.db2.gz HMLHEDBHYGWSQQ-OLZOCXBDSA-N 2 2 271.405 0.731 20 0 CCADLP COCCC[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000361219887 292377568 /nfs/dbraw/zinc/37/75/68/292377568.db2.gz HMLHEDBHYGWSQQ-OLZOCXBDSA-N 2 2 271.405 0.731 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2coc(C[NH3+])c2)C[C@H]1C ZINC000188187351 287094221 /nfs/dbraw/zinc/09/42/21/287094221.db2.gz NGHPMUVGPYQFMV-GHMZBOCLSA-N 2 2 281.356 0.265 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)c2coc(C[NH3+])c2)C[C@H]1C ZINC000188187351 287094222 /nfs/dbraw/zinc/09/42/22/287094222.db2.gz NGHPMUVGPYQFMV-GHMZBOCLSA-N 2 2 281.356 0.265 20 0 CCADLP C[C@@H](c1cccnc1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030898 287153688 /nfs/dbraw/zinc/15/36/88/287153688.db2.gz UXVDLSVHKJROKT-LBPRGKRZSA-N 2 2 262.357 0.506 20 0 CCADLP C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030898 287153689 /nfs/dbraw/zinc/15/36/89/287153689.db2.gz UXVDLSVHKJROKT-LBPRGKRZSA-N 2 2 262.357 0.506 20 0 CCADLP CC[C@@H]1CN(CC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CCO1 ZINC000423079496 287195960 /nfs/dbraw/zinc/19/59/60/287195960.db2.gz AHJYLUPAKLWZJR-OWCLPIDISA-N 2 2 297.443 0.454 20 0 CCADLP CS[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1[NH+](C)C ZINC000284305780 196026266 /nfs/dbraw/zinc/02/62/66/196026266.db2.gz GYRTXVIJJMQLJQ-GKUNOOHESA-N 2 2 280.397 0.927 20 0 CCADLP Nc1nc(C[N@@H+]2CC[C@@H](C[NH3+])C2)nc2ccccc12 ZINC000050247571 411676188 /nfs/dbraw/zinc/67/61/88/411676188.db2.gz YYFRWFCWPGHCGQ-JTQLQIEISA-N 2 2 257.341 0.993 20 0 CCADLP Nc1nc(C[N@H+]2CC[C@@H](C[NH3+])C2)nc2ccccc12 ZINC000050247571 411676193 /nfs/dbraw/zinc/67/61/93/411676193.db2.gz YYFRWFCWPGHCGQ-JTQLQIEISA-N 2 2 257.341 0.993 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C2CC2)C1 ZINC000400007381 411776820 /nfs/dbraw/zinc/77/68/20/411776820.db2.gz SMBXCERTOWOEHE-KGLIPLIRSA-N 2 2 256.390 0.657 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C2CC2)C1 ZINC000400007381 411776825 /nfs/dbraw/zinc/77/68/25/411776825.db2.gz SMBXCERTOWOEHE-KGLIPLIRSA-N 2 2 256.390 0.657 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000400007381 411776827 /nfs/dbraw/zinc/77/68/27/411776827.db2.gz SMBXCERTOWOEHE-KGLIPLIRSA-N 2 2 256.390 0.657 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000400007381 411776831 /nfs/dbraw/zinc/77/68/31/411776831.db2.gz SMBXCERTOWOEHE-KGLIPLIRSA-N 2 2 256.390 0.657 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400968123 411780076 /nfs/dbraw/zinc/78/00/76/411780076.db2.gz OWLXZZDRXPBSDH-KBUPBQIOSA-N 3 2 266.433 0.210 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400968123 411780081 /nfs/dbraw/zinc/78/00/81/411780081.db2.gz OWLXZZDRXPBSDH-KBUPBQIOSA-N 3 2 266.433 0.210 20 0 CCADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C1 ZINC000401710044 411781700 /nfs/dbraw/zinc/78/17/00/411781700.db2.gz HKDLAQFGVZTTDA-YUMQZZPRSA-N 2 2 253.268 0.253 20 0 CCADLP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]1C[NH3+] ZINC000405552258 411804096 /nfs/dbraw/zinc/80/40/96/411804096.db2.gz ZIQQMZPDDFGLMT-JHJVBQTASA-N 2 2 271.405 0.443 20 0 CCADLP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)NCC(C)C)C[C@H]1C[NH3+] ZINC000405552258 411804101 /nfs/dbraw/zinc/80/41/01/411804101.db2.gz ZIQQMZPDDFGLMT-JHJVBQTASA-N 2 2 271.405 0.443 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CNC[C@H]2CCC[N@@H+]2C)C[C@@H](C)O1 ZINC000521996141 411825878 /nfs/dbraw/zinc/82/58/78/411825878.db2.gz SAKYVKDUKLKLEM-KBUPBQIOSA-N 2 2 285.432 0.140 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CNC[C@H]2CCC[N@H+]2C)C[C@@H](C)O1 ZINC000521996141 411825880 /nfs/dbraw/zinc/82/58/80/411825880.db2.gz SAKYVKDUKLKLEM-KBUPBQIOSA-N 2 2 285.432 0.140 20 0 CCADLP O[C@@H]1CC[N@H+](C2CN(c3cc(NCC4CC4)[nH+]cn3)C2)C1 ZINC000651452654 411877862 /nfs/dbraw/zinc/87/78/62/411877862.db2.gz UHEUSDKRYRHIEN-CYBMUJFWSA-N 2 2 289.383 0.554 20 0 CCADLP Cc1cnccc1C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000651891694 411953580 /nfs/dbraw/zinc/95/35/80/411953580.db2.gz IOFZVCZTIIIGEM-UHFFFAOYSA-N 2 2 276.384 0.596 20 0 CCADLP Cc1cnccc1C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000651891694 411953583 /nfs/dbraw/zinc/95/35/83/411953583.db2.gz IOFZVCZTIIIGEM-UHFFFAOYSA-N 2 2 276.384 0.596 20 0 CCADLP C[C@H]([NH3+])[C@@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000652335966 412030345 /nfs/dbraw/zinc/03/03/45/412030345.db2.gz VZJNQFHNZIXPCI-LRDDRELGSA-N 3 2 275.396 0.880 20 0 CCADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000652335966 412030348 /nfs/dbraw/zinc/03/03/48/412030348.db2.gz VZJNQFHNZIXPCI-LRDDRELGSA-N 3 2 275.396 0.880 20 0 CCADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCCCNc1cccc[nH+]1 ZINC000284565809 196085849 /nfs/dbraw/zinc/08/58/49/196085849.db2.gz HQMOVYFCKVGCLO-OCCSQVGLSA-N 2 2 292.383 0.767 20 0 CCADLP CC(C)C[N@H+](C)CCCNC(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000652522527 412068853 /nfs/dbraw/zinc/06/88/53/412068853.db2.gz KZPVVOQQRCUDOM-OAHLLOKOSA-N 2 2 298.475 0.716 20 0 CCADLP CC(C)C[N@@H+](C)CCCNC(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000652522527 412068856 /nfs/dbraw/zinc/06/88/56/412068856.db2.gz KZPVVOQQRCUDOM-OAHLLOKOSA-N 2 2 298.475 0.716 20 0 CCADLP [NH3+]CC1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000653044136 412199003 /nfs/dbraw/zinc/19/90/03/412199003.db2.gz TUMBSOFLPIHSJV-UHFFFAOYSA-N 2 2 276.384 0.959 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@H]1CCC[NH2+]C1 ZINC000653046334 412199880 /nfs/dbraw/zinc/19/98/80/412199880.db2.gz UXBNMQYONDORSV-LBPRGKRZSA-N 2 2 276.384 0.878 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000653048922 412201485 /nfs/dbraw/zinc/20/14/85/412201485.db2.gz GCWOUQKESQFXMY-CHWSQXEVSA-N 3 2 264.373 0.082 20 0 CCADLP [NH3+]C[C@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)C1CC1 ZINC000653053555 412202911 /nfs/dbraw/zinc/20/29/11/412202911.db2.gz RIZYNISCQYPIAG-LBPRGKRZSA-N 2 2 262.357 0.615 20 0 CCADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653055231 412203300 /nfs/dbraw/zinc/20/33/00/412203300.db2.gz YPSDRSKGQXCODC-VXGBXAGGSA-N 3 2 258.410 0.097 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCc2ccccc2C1 ZINC000653056024 412204122 /nfs/dbraw/zinc/20/41/22/412204122.db2.gz RQBBFDFPLQGNSK-CQSZACIVSA-N 2 2 261.369 0.850 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCCOCC1CC1 ZINC000653061720 412205777 /nfs/dbraw/zinc/20/57/77/412205777.db2.gz ZRVWRWHVDSTFLX-LBPRGKRZSA-N 2 2 257.378 0.198 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCc1ccc(F)cc1 ZINC000653057984 412205936 /nfs/dbraw/zinc/20/59/36/412205936.db2.gz ZOSRKADKEAAVIU-ZDUSSCGKSA-N 2 2 267.348 0.763 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1nc2c(s1)CCC2 ZINC000653061337 412206307 /nfs/dbraw/zinc/20/63/07/412206307.db2.gz MERPTHXMMVEOCD-MRVPVSSYSA-N 2 2 268.386 0.849 20 0 CCADLP Cc1ccsc1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653064823 412206923 /nfs/dbraw/zinc/20/69/23/412206923.db2.gz HJYYIGBIDPCIGY-JTQLQIEISA-N 2 2 255.387 0.952 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000653065593 412207187 /nfs/dbraw/zinc/20/71/87/412207187.db2.gz LNGLDTRHZWAROS-HZSPNIEDSA-N 2 2 261.369 0.938 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C[C@H](C)O1 ZINC000653079042 412209679 /nfs/dbraw/zinc/20/96/79/412209679.db2.gz REDIMBMONTXHSD-TUAOUCFPSA-N 2 2 257.378 0.291 20 0 CCADLP C[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(=O)N1CCCC[C@@H]1C ZINC000653081902 412211454 /nfs/dbraw/zinc/21/14/54/412211454.db2.gz CDDZDWYBNRUOMT-AVGNSLFASA-N 2 2 298.431 0.171 20 0 CCADLP COc1ccc(N(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1OC ZINC000653079670 412211858 /nfs/dbraw/zinc/21/18/58/412211858.db2.gz JBLLQUNOKLAUSV-LBPRGKRZSA-N 2 2 295.383 0.946 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000653088839 412213749 /nfs/dbraw/zinc/21/37/49/412213749.db2.gz OMQZYVIUYBYRFM-GFCCVEGCSA-N 2 2 288.355 0.689 20 0 CCADLP C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@@H]1CC[NH3+] ZINC000653243373 412266177 /nfs/dbraw/zinc/26/61/77/412266177.db2.gz AYEYGHPZSVIMSG-FRRDWIJNSA-N 3 2 270.421 0.241 20 0 CCADLP CCn1cc(CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C(C)C)cn1 ZINC000653252194 412270072 /nfs/dbraw/zinc/27/00/72/412270072.db2.gz MKVIMLDRBLIXCI-CQSZACIVSA-N 2 2 295.431 0.919 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C2(CCC2)CO1 ZINC000653253934 412271132 /nfs/dbraw/zinc/27/11/32/412271132.db2.gz DTJOXEGABTYADS-RYUDHWBXSA-N 2 2 269.389 0.435 20 0 CCADLP CO[C@]1(C)C[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1(C)C ZINC000653102102 412218550 /nfs/dbraw/zinc/21/85/50/412218550.db2.gz NWUOLPXTJFFJTF-MISXGVKJSA-N 2 2 271.405 0.585 20 0 CCADLP [NH3+]CC(F)(F)CC(=O)NCc1cn2ccccc2[nH+]1 ZINC000653105583 412219873 /nfs/dbraw/zinc/21/98/73/412219873.db2.gz ALOYYHXFORNHPC-UHFFFAOYSA-N 2 2 268.267 0.935 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCc1nc2ccccc2[nH]1 ZINC000653106898 412220196 /nfs/dbraw/zinc/22/01/96/412220196.db2.gz PQFIUYYOKZVXJV-LLVKDONJSA-N 2 2 289.383 0.501 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000653113437 412225653 /nfs/dbraw/zinc/22/56/53/412225653.db2.gz BUAKMUVADBOZOR-OAHLLOKOSA-N 3 2 292.427 0.860 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000653114106 412225931 /nfs/dbraw/zinc/22/59/31/412225931.db2.gz YJUCYDQNVAQINQ-KBPBESRZSA-N 3 2 282.432 0.352 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000653114524 412226131 /nfs/dbraw/zinc/22/61/31/412226131.db2.gz LRGIIFXMJCFOJL-OAHLLOKOSA-N 3 2 296.459 0.742 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000653114524 412226133 /nfs/dbraw/zinc/22/61/33/412226133.db2.gz LRGIIFXMJCFOJL-OAHLLOKOSA-N 3 2 296.459 0.742 20 0 CCADLP CN1CCOc2ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc21 ZINC000653120342 412229802 /nfs/dbraw/zinc/22/98/02/412229802.db2.gz ONRQZZRWBOGAIP-LBPRGKRZSA-N 2 2 292.383 0.733 20 0 CCADLP C[C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1ccncc1 ZINC000653122729 412231608 /nfs/dbraw/zinc/23/16/08/412231608.db2.gz BUEQZWPTKAVNJN-YPMHNXCESA-N 2 2 264.373 0.580 20 0 CCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653125110 412231668 /nfs/dbraw/zinc/23/16/68/412231668.db2.gz SWJYQPVMCSEBHZ-KBPBESRZSA-N 2 2 282.432 0.128 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000653136337 412237231 /nfs/dbraw/zinc/23/72/31/412237231.db2.gz MPUZMZMBXRUMKO-HNNXBMFYSA-N 3 2 292.427 0.643 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCNc2ccccc21 ZINC000653141353 412239316 /nfs/dbraw/zinc/23/93/16/412239316.db2.gz FMRDLJAHVBZFPF-LLVKDONJSA-N 2 2 262.357 0.724 20 0 CCADLP C[C@@]1(F)C[NH2+]CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000653144257 412240517 /nfs/dbraw/zinc/24/05/17/412240517.db2.gz KXUUXVJSNGPEOG-OAHLLOKOSA-N 2 2 294.374 0.922 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N(Cc1ccncc1)C1CC1 ZINC000653147804 412241948 /nfs/dbraw/zinc/24/19/48/412241948.db2.gz AXPBMKVZKSLKIP-AWEZNQCLSA-N 2 2 276.384 0.852 20 0 CCADLP COc1ccc2c(c1)[nH]nc2NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653150829 412244223 /nfs/dbraw/zinc/24/42/23/412244223.db2.gz QJHPORCNLNQHNL-NSHDSACASA-N 2 2 291.355 0.211 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@H](CC)CO1 ZINC000653177332 412253929 /nfs/dbraw/zinc/25/39/29/412253929.db2.gz UQGHUNXNTDHUEL-UPJWGTAASA-N 2 2 271.405 0.681 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1C1(O)CC1 ZINC000653758002 412343343 /nfs/dbraw/zinc/34/33/43/412343343.db2.gz LPARIEIYIBXTOQ-KGLIPLIRSA-N 2 2 286.416 0.305 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1C1(O)CC1 ZINC000653758002 412343346 /nfs/dbraw/zinc/34/33/46/412343346.db2.gz LPARIEIYIBXTOQ-KGLIPLIRSA-N 2 2 286.416 0.305 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@H]1C1(O)CC1 ZINC000653758002 412343350 /nfs/dbraw/zinc/34/33/50/412343350.db2.gz LPARIEIYIBXTOQ-KGLIPLIRSA-N 2 2 286.416 0.305 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@H]1C1(O)CC1 ZINC000653758002 412343353 /nfs/dbraw/zinc/34/33/53/412343353.db2.gz LPARIEIYIBXTOQ-KGLIPLIRSA-N 2 2 286.416 0.305 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2cccnc2)C1 ZINC000653775696 412344280 /nfs/dbraw/zinc/34/42/80/412344280.db2.gz FIIQIQTUEUXVFD-HZPDHXFCSA-N 2 2 293.411 0.810 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2cccnc2)C1 ZINC000653775696 412344283 /nfs/dbraw/zinc/34/42/83/412344283.db2.gz FIIQIQTUEUXVFD-HZPDHXFCSA-N 2 2 293.411 0.810 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000653775696 412344285 /nfs/dbraw/zinc/34/42/85/412344285.db2.gz FIIQIQTUEUXVFD-HZPDHXFCSA-N 2 2 293.411 0.810 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000653775696 412344289 /nfs/dbraw/zinc/34/42/89/412344289.db2.gz FIIQIQTUEUXVFD-HZPDHXFCSA-N 2 2 293.411 0.810 20 0 CCADLP CCC(C)(C)[NH+]1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000653807989 412349621 /nfs/dbraw/zinc/34/96/21/412349621.db2.gz MFJMBSFEEVAARM-OAHLLOKOSA-N 2 2 299.459 0.486 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000653345946 412293015 /nfs/dbraw/zinc/29/30/15/412293015.db2.gz BKFOABQVWXZUMI-CQSZACIVSA-N 3 2 278.400 0.966 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000655058166 412470515 /nfs/dbraw/zinc/47/05/15/412470515.db2.gz GHHWZMUOXAKDSW-UHFFFAOYSA-N 2 2 280.372 0.107 20 0 CCADLP C[C@@H](CC(=O)NC[C@]1(O)C[NH+]2CCC1CC2)n1cc[nH+]c1 ZINC000655074256 412474066 /nfs/dbraw/zinc/47/40/66/412474066.db2.gz CUNWWWCKZGNNBR-WFASDCNBSA-N 2 2 292.383 0.407 20 0 CCADLP C[C@@H](NC(=O)NCC12CC(C1)C[NH2+]2)[C@@H](C)[NH+]1CCOCC1 ZINC000659450288 413510641 /nfs/dbraw/zinc/51/06/41/413510641.db2.gz KFDQUCGDBOPVTM-SIUPQYRZSA-N 2 2 296.415 0.147 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000659450054 413511240 /nfs/dbraw/zinc/51/12/40/413511240.db2.gz VSLOZOAGLPSNSU-QMMMGPOBSA-N 2 2 293.293 0.853 20 0 CCADLP CN(CC(C)(C)[NH3+])C(=O)NCCc1cn(C)c[nH+]1 ZINC000659502723 413557636 /nfs/dbraw/zinc/55/76/36/413557636.db2.gz HSJTXJXEVUZHHA-UHFFFAOYSA-N 2 2 253.350 0.341 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659515240 413578442 /nfs/dbraw/zinc/57/84/42/413578442.db2.gz BGILSQUTKRRMET-CHWSQXEVSA-N 2 2 284.404 0.086 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659540323 413627913 /nfs/dbraw/zinc/62/79/13/413627913.db2.gz VMCUDBCCTKTOCM-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H](NC(=O)NCC(F)(F)C[NH3+])c1[nH+]ccn1C ZINC000659533029 413615429 /nfs/dbraw/zinc/61/54/29/413615429.db2.gz XCPHSVFKTPJFLY-SSDOTTSWSA-N 2 2 261.276 0.374 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659537178 413621631 /nfs/dbraw/zinc/62/16/31/413621631.db2.gz QQYZKLXAWSXVEP-HZSPNIEDSA-N 2 2 296.415 0.101 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@H]2C(C)(C)C2(F)F)[C@@H](C[NH3+])C1 ZINC000659609607 413691852 /nfs/dbraw/zinc/69/18/52/413691852.db2.gz KINRLTOUEPAXQY-UWVGGRQHSA-N 2 2 290.358 0.562 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@H]2C(C)(C)C2(F)F)[C@@H](C[NH3+])C1 ZINC000659609607 413691864 /nfs/dbraw/zinc/69/18/64/413691864.db2.gz KINRLTOUEPAXQY-UWVGGRQHSA-N 2 2 290.358 0.562 20 0 CCADLP COC[C@@H](C[NH+]1CCN(Cc2[nH+]ccn2C)CC1)OC ZINC000659903457 413962652 /nfs/dbraw/zinc/96/26/52/413962652.db2.gz PDKZVGMJXWGDDY-CYBMUJFWSA-N 2 2 282.388 0.199 20 0 CCADLP CO[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)[C@@H]1CCOC1 ZINC000659956898 413999702 /nfs/dbraw/zinc/99/97/02/413999702.db2.gz VVBDUTWDLUIZKC-ARFHVFGLSA-N 2 2 298.427 0.692 20 0 CCADLP CO[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)[C@@H]1CCOC1 ZINC000659956898 413999710 /nfs/dbraw/zinc/99/97/10/413999710.db2.gz VVBDUTWDLUIZKC-ARFHVFGLSA-N 2 2 298.427 0.692 20 0 CCADLP C[C@H]([NH2+]C1CC[NH+](C)CC1)C(=O)NCc1ccco1 ZINC000037249574 173062490 /nfs/dbraw/zinc/06/24/90/173062490.db2.gz UJRVICREJSBZFQ-NSHDSACASA-N 2 2 265.357 0.968 20 0 CCADLP Cc1nc(N2CC[NH+](C[C@@H]3CNC(=O)C3)CC2)cc[nH+]1 ZINC000660279631 414222612 /nfs/dbraw/zinc/22/26/12/414222612.db2.gz GXQLCOSHDAPYHJ-LBPRGKRZSA-N 2 2 275.356 0.043 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCOCC2(CC2)C1 ZINC000660241611 414207184 /nfs/dbraw/zinc/20/71/84/414207184.db2.gz FPTFJMBZNXRRQS-CYBMUJFWSA-N 2 2 256.390 0.800 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCOCC2(CC2)C1 ZINC000660241611 414207189 /nfs/dbraw/zinc/20/71/89/414207189.db2.gz FPTFJMBZNXRRQS-CYBMUJFWSA-N 2 2 256.390 0.800 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCOCC2(CC2)C1 ZINC000660241611 414207195 /nfs/dbraw/zinc/20/71/95/414207195.db2.gz FPTFJMBZNXRRQS-CYBMUJFWSA-N 2 2 256.390 0.800 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCOCC2(CC2)C1 ZINC000660241611 414207203 /nfs/dbraw/zinc/20/72/03/414207203.db2.gz FPTFJMBZNXRRQS-CYBMUJFWSA-N 2 2 256.390 0.800 20 0 CCADLP CCN1CC[C@@H]([NH+]2CCN(c3[nH]cc[nH+]3)CC2)C1=O ZINC000660420741 414304921 /nfs/dbraw/zinc/30/49/21/414304921.db2.gz UXBVLKKUNXXUNQ-LLVKDONJSA-N 2 2 263.345 0.153 20 0 CCADLP OCCCC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660473605 414346108 /nfs/dbraw/zinc/34/61/08/414346108.db2.gz RDDKDHJKYGWCFT-AWEZNQCLSA-N 2 2 256.390 0.946 20 0 CCADLP OCCCC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660473605 414346115 /nfs/dbraw/zinc/34/61/15/414346115.db2.gz RDDKDHJKYGWCFT-AWEZNQCLSA-N 2 2 256.390 0.946 20 0 CCADLP O=C1CC[C@@H](C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)N1 ZINC000660476135 414350050 /nfs/dbraw/zinc/35/00/50/414350050.db2.gz WNPLCLZGECFZKW-UONOGXRCSA-N 2 2 281.400 0.452 20 0 CCADLP O=C1CC[C@@H](C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)N1 ZINC000660476135 414350057 /nfs/dbraw/zinc/35/00/57/414350057.db2.gz WNPLCLZGECFZKW-UONOGXRCSA-N 2 2 281.400 0.452 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660655915 414432663 /nfs/dbraw/zinc/43/26/63/414432663.db2.gz QRADWMODMXNYNJ-GDBMZVCRSA-N 2 2 297.443 0.945 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660655915 414432668 /nfs/dbraw/zinc/43/26/68/414432668.db2.gz QRADWMODMXNYNJ-GDBMZVCRSA-N 2 2 297.443 0.945 20 0 CCADLP COCCCNC(=O)[C@@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660655915 414432674 /nfs/dbraw/zinc/43/26/74/414432674.db2.gz QRADWMODMXNYNJ-GDBMZVCRSA-N 2 2 297.443 0.945 20 0 CCADLP COCCCNC(=O)[C@@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660655915 414432678 /nfs/dbraw/zinc/43/26/78/414432678.db2.gz QRADWMODMXNYNJ-GDBMZVCRSA-N 2 2 297.443 0.945 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCN(c2ncns2)CC1 ZINC000660706836 414454065 /nfs/dbraw/zinc/45/40/65/414454065.db2.gz XLXMVDNIQWPMQY-UHFFFAOYSA-N 2 2 278.385 0.636 20 0 CCADLP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000038082556 174091612 /nfs/dbraw/zinc/09/16/12/174091612.db2.gz YOUZFMZAYZNCAX-LBPRGKRZSA-N 2 2 274.430 0.884 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000661596667 414648213 /nfs/dbraw/zinc/64/82/13/414648213.db2.gz KCPMMOAYJSZTKP-STQMWFEESA-N 2 2 262.357 0.792 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000661596667 414648215 /nfs/dbraw/zinc/64/82/15/414648215.db2.gz KCPMMOAYJSZTKP-STQMWFEESA-N 2 2 262.357 0.792 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CC2CC=CC2)C1 ZINC000662265449 414702987 /nfs/dbraw/zinc/70/29/87/414702987.db2.gz AQNJFKNRHMZIEG-CQSZACIVSA-N 2 2 263.385 0.849 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CC2CC=CC2)C1 ZINC000662265449 414702988 /nfs/dbraw/zinc/70/29/88/414702988.db2.gz AQNJFKNRHMZIEG-CQSZACIVSA-N 2 2 263.385 0.849 20 0 CCADLP Cc1nocc1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000662266189 414703369 /nfs/dbraw/zinc/70/33/69/414703369.db2.gz KJIDPTDBKODBAE-CYBMUJFWSA-N 2 2 278.356 0.379 20 0 CCADLP Cc1nocc1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000662266189 414703370 /nfs/dbraw/zinc/70/33/70/414703370.db2.gz KJIDPTDBKODBAE-CYBMUJFWSA-N 2 2 278.356 0.379 20 0 CCADLP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000662275707 414704272 /nfs/dbraw/zinc/70/42/72/414704272.db2.gz HDXCITGIUYZTQI-AGIUHOORSA-N 3 2 251.374 0.191 20 0 CCADLP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000662275707 414704273 /nfs/dbraw/zinc/70/42/73/414704273.db2.gz HDXCITGIUYZTQI-AGIUHOORSA-N 3 2 251.374 0.191 20 0 CCADLP Cc1nnsc1C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000662282187 414705656 /nfs/dbraw/zinc/70/56/56/414705656.db2.gz NTDYQNZHUGUHHI-NSHDSACASA-N 2 2 293.400 0.734 20 0 CCADLP Cc1nnc([C@@H](C)[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)[nH]1 ZINC000662282750 414705906 /nfs/dbraw/zinc/70/59/06/414705906.db2.gz QIYZWCOVTCMRIL-SKDRFNHKSA-N 2 2 290.375 0.561 20 0 CCADLP Cn1nccc1[C@@H]1CCCC[N@@H+]1C[C@@H]1C[NH2+]CCO1 ZINC000662284668 414706208 /nfs/dbraw/zinc/70/62/08/414706208.db2.gz ZIIXEBRPANJJTA-JSGCOSHPSA-N 2 2 264.373 0.936 20 0 CCADLP C[C@@H]1CCC[C@H](NC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)[C@@H]1C ZINC000662286724 414706492 /nfs/dbraw/zinc/70/64/92/414706492.db2.gz ZRMMLJKGYPWBIN-MCIONIFRSA-N 2 2 297.443 0.631 20 0 CCADLP C[C@H]1CCC[C@H](C)N1C(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662286626 414706773 /nfs/dbraw/zinc/70/67/73/414706773.db2.gz UBCCHIHYMZMPQM-STQMWFEESA-N 2 2 283.416 0.480 20 0 CCADLP [NH3+]CC[N@H+](CCCCC1CCOCC1)C[C@@H](O)CO ZINC000662288271 414707014 /nfs/dbraw/zinc/70/70/14/414707014.db2.gz NIKFCLZEZAKIMO-CQSZACIVSA-N 2 2 274.405 0.197 20 0 CCADLP [NH3+]CC[N@@H+](CCCCC1CCOCC1)C[C@@H](O)CO ZINC000662288271 414707015 /nfs/dbraw/zinc/70/70/15/414707015.db2.gz NIKFCLZEZAKIMO-CQSZACIVSA-N 2 2 274.405 0.197 20 0 CCADLP Cc1cc(C)cc(OCCC[N@H+](CC[NH3+])C[C@@H](O)CO)c1 ZINC000662289677 414707111 /nfs/dbraw/zinc/70/71/11/414707111.db2.gz VLQURUWETIYTPZ-OAHLLOKOSA-N 2 2 296.411 0.686 20 0 CCADLP Cc1cc(C)cc(OCCC[N@@H+](CC[NH3+])C[C@@H](O)CO)c1 ZINC000662289677 414707112 /nfs/dbraw/zinc/70/71/12/414707112.db2.gz VLQURUWETIYTPZ-OAHLLOKOSA-N 2 2 296.411 0.686 20 0 CCADLP [NH3+]CC[N@@H+](Cc1ccc2c(c1)CCC2)C[C@@H](O)CO ZINC000662287996 414707131 /nfs/dbraw/zinc/70/71/31/414707131.db2.gz LNFDVMIJKZXGBD-OAHLLOKOSA-N 2 2 264.369 0.289 20 0 CCADLP [NH3+]CC[N@H+](Cc1ccc2c(c1)CCC2)C[C@@H](O)CO ZINC000662287996 414707132 /nfs/dbraw/zinc/70/71/32/414707132.db2.gz LNFDVMIJKZXGBD-OAHLLOKOSA-N 2 2 264.369 0.289 20 0 CCADLP CC(C)NC(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662316126 414708596 /nfs/dbraw/zinc/70/85/96/414708596.db2.gz IOEJAWOQUNQNLQ-CYBMUJFWSA-N 2 2 271.405 0.554 20 0 CCADLP CC(C)NC(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662316126 414708597 /nfs/dbraw/zinc/70/85/97/414708597.db2.gz IOEJAWOQUNQNLQ-CYBMUJFWSA-N 2 2 271.405 0.554 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCc2nccnc2C1 ZINC000662318182 414709308 /nfs/dbraw/zinc/70/93/08/414709308.db2.gz XEYABHUKODKELD-YOEHRIQHSA-N 2 2 298.390 0.766 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCc2nccnc2C1 ZINC000662318182 414709309 /nfs/dbraw/zinc/70/93/09/414709309.db2.gz XEYABHUKODKELD-YOEHRIQHSA-N 2 2 298.390 0.766 20 0 CCADLP C[NH+](C)CCC[C@H]1C[N@H+](CC(=O)NC(C)(C)C)CCO1 ZINC000662319049 414709431 /nfs/dbraw/zinc/70/94/31/414709431.db2.gz JNDBHRMEXXJVDL-ZDUSSCGKSA-N 2 2 285.432 0.944 20 0 CCADLP C[NH+](C)CCC[C@H]1C[N@@H+](CC(=O)NC(C)(C)C)CCO1 ZINC000662319049 414709432 /nfs/dbraw/zinc/70/94/32/414709432.db2.gz JNDBHRMEXXJVDL-ZDUSSCGKSA-N 2 2 285.432 0.944 20 0 CCADLP C[NH+](C)CCC[C@H]1CN(CC[NH+]2CCOCC2)CCO1 ZINC000662320799 414709445 /nfs/dbraw/zinc/70/94/45/414709445.db2.gz DUAJYMXIHAURKB-HNNXBMFYSA-N 2 2 285.432 0.361 20 0 CCADLP C[NH+](C)CCC[C@@H]1CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000662321820 414709872 /nfs/dbraw/zinc/70/98/72/414709872.db2.gz DTHRHUJITRNWFM-CYBMUJFWSA-N 2 2 252.362 0.952 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000662326837 414710479 /nfs/dbraw/zinc/71/04/79/414710479.db2.gz DIRHKSANEQLNSD-OAHLLOKOSA-N 2 2 277.368 0.114 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000662326837 414710480 /nfs/dbraw/zinc/71/04/80/414710480.db2.gz DIRHKSANEQLNSD-OAHLLOKOSA-N 2 2 277.368 0.114 20 0 CCADLP C[C@@]1(C(F)F)C[N@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000662335190 414711036 /nfs/dbraw/zinc/71/10/36/414711036.db2.gz GYGNSZFJVCAXAR-LBPRGKRZSA-N 2 2 263.332 0.248 20 0 CCADLP C[C@@]1(C(F)F)C[N@@H+](CCN2CC[NH2+]CC2)CCO1 ZINC000662335190 414711037 /nfs/dbraw/zinc/71/10/37/414711037.db2.gz GYGNSZFJVCAXAR-LBPRGKRZSA-N 2 2 263.332 0.248 20 0 CCADLP CCN1CC[C@@H]([NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1=O ZINC000662147782 414693187 /nfs/dbraw/zinc/69/31/87/414693187.db2.gz GEHWSXZMCVXBTG-ZIAGYGMSSA-N 2 2 281.400 0.138 20 0 CCADLP CCN1CC[C@@H]([NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1=O ZINC000662147782 414693188 /nfs/dbraw/zinc/69/31/88/414693188.db2.gz GEHWSXZMCVXBTG-ZIAGYGMSSA-N 2 2 281.400 0.138 20 0 CCADLP Cc1noc(CCC[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)n1 ZINC000662150447 414693866 /nfs/dbraw/zinc/69/38/66/414693866.db2.gz WBIJUVIECHYPDM-AWEZNQCLSA-N 2 2 294.399 0.842 20 0 CCADLP Cc1noc(CCC[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)n1 ZINC000662150447 414693867 /nfs/dbraw/zinc/69/38/67/414693867.db2.gz WBIJUVIECHYPDM-AWEZNQCLSA-N 2 2 294.399 0.842 20 0 CCADLP OCC[N@H+](C[C@H]1C[NH2+]CCO1)[C@H]1CCc2ccccc21 ZINC000662254269 414699617 /nfs/dbraw/zinc/69/96/17/414699617.db2.gz GQTXKMPBLGVFJJ-ZBFHGGJFSA-N 2 2 276.380 0.957 20 0 CCADLP OCC[N@@H+](C[C@H]1C[NH2+]CCO1)[C@H]1CCc2ccccc21 ZINC000662254269 414699618 /nfs/dbraw/zinc/69/96/18/414699618.db2.gz GQTXKMPBLGVFJJ-ZBFHGGJFSA-N 2 2 276.380 0.957 20 0 CCADLP O=C1CCCN1[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662256534 414700839 /nfs/dbraw/zinc/70/08/39/414700839.db2.gz JBBMJJIKDVHUSO-OLZOCXBDSA-N 2 2 267.373 0.062 20 0 CCADLP O=C1CCCN1[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662256534 414700840 /nfs/dbraw/zinc/70/08/40/414700840.db2.gz JBBMJJIKDVHUSO-OLZOCXBDSA-N 2 2 267.373 0.062 20 0 CCADLP CC(C)[C@H](C)NC(=O)C1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662258208 414700988 /nfs/dbraw/zinc/70/09/88/414700988.db2.gz SNIYDJXPGGBGSD-ZFWWWQNUSA-N 2 2 297.443 0.848 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662742577 414750997 /nfs/dbraw/zinc/75/09/97/414750997.db2.gz DWURQFJSBOSVIV-VXGBXAGGSA-N 2 2 280.372 0.519 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662742573 414752354 /nfs/dbraw/zinc/75/23/54/414752354.db2.gz DWCOWRIWRFTAOQ-XYPYZODXSA-N 2 2 250.346 0.893 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000662761345 414770394 /nfs/dbraw/zinc/77/03/94/414770394.db2.gz OQKXFLKKBZJLTR-RWMBFGLXSA-N 2 2 283.416 0.681 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)NC[C@H]3CC[NH2+]C3)ccn12 ZINC000662765541 414774780 /nfs/dbraw/zinc/77/47/80/414774780.db2.gz HKFSAOOUDHDHOJ-NSHDSACASA-N 2 2 258.325 0.982 20 0 CCADLP CC(C)OC[C@H]([NH3+])C(=O)NCc1cn2ccccc2[nH+]1 ZINC000662358968 414711720 /nfs/dbraw/zinc/71/17/20/414711720.db2.gz VUBHJMIJCIDWSS-LBPRGKRZSA-N 2 2 276.340 0.703 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000662507606 414724077 /nfs/dbraw/zinc/72/40/77/414724077.db2.gz VGCJUHALLBPMKY-FRRDWIJNSA-N 2 2 274.368 0.904 20 0 CCADLP O=C(c1cccc2c1C[NH2+]C2)N1CC[NH+](CCO)CC1 ZINC000662517334 414724669 /nfs/dbraw/zinc/72/46/69/414724669.db2.gz UVSLMGNVOLELNZ-UHFFFAOYSA-N 2 2 275.352 0.040 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662630848 414734955 /nfs/dbraw/zinc/73/49/55/414734955.db2.gz NROKLOLBRQONQW-YNEHKIRRSA-N 2 2 271.405 0.600 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662630848 414734956 /nfs/dbraw/zinc/73/49/56/414734956.db2.gz NROKLOLBRQONQW-YNEHKIRRSA-N 2 2 271.405 0.600 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000662632735 414735346 /nfs/dbraw/zinc/73/53/46/414735346.db2.gz GNUURQDYYJTQDY-CQSZACIVSA-N 3 2 284.448 0.376 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000662632735 414735347 /nfs/dbraw/zinc/73/53/47/414735347.db2.gz GNUURQDYYJTQDY-CQSZACIVSA-N 3 2 284.448 0.376 20 0 CCADLP Cc1[nH+]c2ccccc2n1CCCNC(=O)C1(O)C[NH2+]C1 ZINC000662663581 414738918 /nfs/dbraw/zinc/73/89/18/414738918.db2.gz JIEOOZRSEDPQOH-UHFFFAOYSA-N 2 2 288.351 0.185 20 0 CCADLP CC(C)([NH3+])c1cc(C(=O)N2CC[NH+](C3CC3)CC2)on1 ZINC000662672818 414739450 /nfs/dbraw/zinc/73/94/50/414739450.db2.gz FCKZFZBWGAQDDU-UHFFFAOYSA-N 2 2 278.356 0.789 20 0 CCADLP [NH3+]C1(CC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000662696207 414742482 /nfs/dbraw/zinc/74/24/82/414742482.db2.gz WKJCSIBIUMDVRY-CQSZACIVSA-N 2 2 299.440 0.192 20 0 CCADLP C[C@H](C[NH3+])C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662704625 414744191 /nfs/dbraw/zinc/74/41/91/414744191.db2.gz JFWOHGMGOMPJTB-GFCCVEGCSA-N 2 2 269.389 0.152 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)N3CCCO[C@H](C[NH3+])C3)ccn12 ZINC000662812680 414812577 /nfs/dbraw/zinc/81/25/77/414812577.db2.gz DXQSKKZPRSVCRE-CYBMUJFWSA-N 2 2 288.351 0.833 20 0 CCADLP Cc1cc(CNC(=O)[C@H]2CCO[C@H]2C[NH3+])cc(C)[nH+]1 ZINC000662818077 414816551 /nfs/dbraw/zinc/81/65/51/414816551.db2.gz OBOVQIVNJUCJRM-STQMWFEESA-N 2 2 263.341 0.678 20 0 CCADLP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@H]1CSC[NH2+]1 ZINC000662840052 414833887 /nfs/dbraw/zinc/83/38/87/414833887.db2.gz XEWDGRUWYPHBBS-UTUOFQBUSA-N 2 2 269.414 0.782 20 0 CCADLP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@H]1CSC[NH2+]1 ZINC000662840052 414833891 /nfs/dbraw/zinc/83/38/91/414833891.db2.gz XEWDGRUWYPHBBS-UTUOFQBUSA-N 2 2 269.414 0.782 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662858341 414849136 /nfs/dbraw/zinc/84/91/36/414849136.db2.gz GKKRDRSEWPREQC-QWHCGFSZSA-N 2 2 285.432 0.977 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662858341 414849140 /nfs/dbraw/zinc/84/91/40/414849140.db2.gz GKKRDRSEWPREQC-QWHCGFSZSA-N 2 2 285.432 0.977 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)C1 ZINC000662859778 414852909 /nfs/dbraw/zinc/85/29/09/414852909.db2.gz ONYJLPCFYDDOMK-MQYQWHSLSA-N 2 2 283.416 0.600 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)C1 ZINC000662859778 414852913 /nfs/dbraw/zinc/85/29/13/414852913.db2.gz ONYJLPCFYDDOMK-MQYQWHSLSA-N 2 2 283.416 0.600 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@]2(C)CCC[NH2+]C2)[C@@H](C)CO1 ZINC000662860198 414853061 /nfs/dbraw/zinc/85/30/61/414853061.db2.gz RGWYYMSKUZUXMT-GZBFAFLISA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@]2(C)CCC[NH2+]C2)[C@@H](C)CO1 ZINC000662860198 414853064 /nfs/dbraw/zinc/85/30/64/414853064.db2.gz RGWYYMSKUZUXMT-GZBFAFLISA-N 2 2 283.416 0.602 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000662968710 414923014 /nfs/dbraw/zinc/92/30/14/414923014.db2.gz WGLDVLVCYOXUEJ-VIFPVBQESA-N 2 2 263.332 0.688 20 0 CCADLP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[C@H]1CSC[NH2+]1 ZINC000662886111 414870613 /nfs/dbraw/zinc/87/06/13/414870613.db2.gz ZOKLEEIUXROQCN-OLZOCXBDSA-N 2 2 293.392 0.949 20 0 CCADLP CN(CCC[NH3+])C(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000662930826 414900191 /nfs/dbraw/zinc/90/01/91/414900191.db2.gz WDHGJODLVDPFPC-NSHDSACASA-N 2 2 293.371 0.271 20 0 CCADLP Cn1nnc2cc(C[NH2+]CC34CC(C3)C[NH2+]4)ccc21 ZINC000663502315 415079612 /nfs/dbraw/zinc/07/96/12/415079612.db2.gz SORIANWQFFVJBX-UHFFFAOYSA-N 2 2 257.341 0.810 20 0 CCADLP COc1c(N)[nH+]cnc1N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000663238641 415025094 /nfs/dbraw/zinc/02/50/94/415025094.db2.gz GTLAPMZHBDHMHY-ZDUSSCGKSA-N 2 2 263.345 0.647 20 0 CCADLP COc1c(N)nc[nH+]c1N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000663238641 415025102 /nfs/dbraw/zinc/02/51/02/415025102.db2.gz GTLAPMZHBDHMHY-ZDUSSCGKSA-N 2 2 263.345 0.647 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CCC[NH+](C)C2)[C@@H](C)CO1 ZINC000663775415 415131466 /nfs/dbraw/zinc/13/14/66/415131466.db2.gz XVVZSACDDBROEY-BFHYXJOUSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCC[NH+](C)C2)[C@@H](C)CO1 ZINC000663775415 415131475 /nfs/dbraw/zinc/13/14/75/415131475.db2.gz XVVZSACDDBROEY-BFHYXJOUSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CCC[N@H+](C)C2)[C@@H](C)CO1 ZINC000663775415 415131487 /nfs/dbraw/zinc/13/14/87/415131487.db2.gz XVVZSACDDBROEY-BFHYXJOUSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CCC[N@@H+](C)C2)[C@@H](C)CO1 ZINC000663775415 415131492 /nfs/dbraw/zinc/13/14/92/415131492.db2.gz XVVZSACDDBROEY-BFHYXJOUSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](CCNC(=O)NCc1[nH+]ccn1C)[NH+](C)C ZINC000663975314 415191216 /nfs/dbraw/zinc/19/12/16/415191216.db2.gz PGKDFZOYTFLXEU-SNVBAGLBSA-N 2 2 253.350 0.560 20 0 CCADLP C[C@@H](CCNC(=O)NCC[N@@H+]1CCOC[C@H]1C)[NH+](C)C ZINC000663989580 415197552 /nfs/dbraw/zinc/19/75/52/415197552.db2.gz AFWLNSPSDILPFI-QWHCGFSZSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@@H](CCNC(=O)NCC[N@H+]1CCOC[C@H]1C)[NH+](C)C ZINC000663989580 415197560 /nfs/dbraw/zinc/19/75/60/415197560.db2.gz AFWLNSPSDILPFI-QWHCGFSZSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1cc[nH+]cc1C(N)=O ZINC000664196371 415278818 /nfs/dbraw/zinc/27/88/18/415278818.db2.gz KHTHFSUATWISFG-LBPRGKRZSA-N 3 2 293.415 0.286 20 0 CCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1cc[nH+]cc1C(N)=O ZINC000664196371 415278825 /nfs/dbraw/zinc/27/88/25/415278825.db2.gz KHTHFSUATWISFG-LBPRGKRZSA-N 3 2 293.415 0.286 20 0 CCADLP Cc1cc(N(CC[NH+](C)C)CC(=O)N(C)C)nc[nH+]1 ZINC000664355620 415357042 /nfs/dbraw/zinc/35/70/42/415357042.db2.gz SRHVUEQIURXIFX-UHFFFAOYSA-N 2 2 265.361 0.241 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCCn1cccc1 ZINC000664356281 415358729 /nfs/dbraw/zinc/35/87/29/415358729.db2.gz KBHSJGGGPCMHID-UHFFFAOYSA-N 2 2 295.431 0.671 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCCn1cccc1 ZINC000664356281 415358733 /nfs/dbraw/zinc/35/87/33/415358733.db2.gz KBHSJGGGPCMHID-UHFFFAOYSA-N 2 2 295.431 0.671 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000664898138 415486138 /nfs/dbraw/zinc/48/61/38/415486138.db2.gz YPCJQPMAKLJCTG-RWMBFGLXSA-N 2 2 286.420 0.345 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000664898138 415486144 /nfs/dbraw/zinc/48/61/44/415486144.db2.gz YPCJQPMAKLJCTG-RWMBFGLXSA-N 2 2 286.420 0.345 20 0 CCADLP COc1c(N)[nH+]cnc1N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000664657612 415443844 /nfs/dbraw/zinc/44/38/44/415443844.db2.gz PFOYLGYZUNAFPU-NSHDSACASA-N 2 2 295.387 0.614 20 0 CCADLP COc1c(N)nc[nH+]c1N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000664657612 415443846 /nfs/dbraw/zinc/44/38/46/415443846.db2.gz PFOYLGYZUNAFPU-NSHDSACASA-N 2 2 295.387 0.614 20 0 CCADLP COC[C@H]([NH2+][C@@H](C)C[C@H]1COCC[NH2+]1)C1CCOCC1 ZINC000665235900 415573791 /nfs/dbraw/zinc/57/37/91/415573791.db2.gz CAPZDKZJXBTPAY-QEJZJMRPSA-N 2 2 286.416 0.785 20 0 CCADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)[C@H]1CC[NH2+]C1 ZINC000665275456 415583237 /nfs/dbraw/zinc/58/32/37/415583237.db2.gz LAWBSPKVNJASTL-YDHLFZDLSA-N 3 2 267.417 0.827 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000665275811 415588271 /nfs/dbraw/zinc/58/82/71/415588271.db2.gz RWUBNNQEUFRDHV-SCRDCRAPSA-N 3 2 255.406 0.955 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000071145301 176041709 /nfs/dbraw/zinc/04/17/09/176041709.db2.gz DIBQOVQVZNPNKD-GFCCVEGCSA-N 2 2 296.415 0.686 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000071145301 176041710 /nfs/dbraw/zinc/04/17/10/176041710.db2.gz DIBQOVQVZNPNKD-GFCCVEGCSA-N 2 2 296.415 0.686 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2OC)C1 ZINC000071145980 176041728 /nfs/dbraw/zinc/04/17/28/176041728.db2.gz INKXXIDQJSIXNX-ZDUSSCGKSA-N 2 2 291.395 0.853 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2OC)C1 ZINC000071145980 176041729 /nfs/dbraw/zinc/04/17/29/176041729.db2.gz INKXXIDQJSIXNX-ZDUSSCGKSA-N 2 2 291.395 0.853 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(=O)n3ccccc3n2)C1 ZINC000071146707 176042657 /nfs/dbraw/zinc/04/26/57/176042657.db2.gz AQFMWQFZVAHFMK-LBPRGKRZSA-N 2 2 272.352 0.736 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(=O)n3ccccc3n2)C1 ZINC000071146707 176042658 /nfs/dbraw/zinc/04/26/58/176042658.db2.gz AQFMWQFZVAHFMK-LBPRGKRZSA-N 2 2 272.352 0.736 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)CCC1CC[NH2+]CC1 ZINC000071276150 176106788 /nfs/dbraw/zinc/10/67/88/176106788.db2.gz LRSFRSBOENXCPO-UHFFFAOYSA-N 2 2 250.346 0.816 20 0 CCADLP [NH3+]CCOCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000093231360 544540690 /nfs/dbraw/zinc/54/06/90/544540690.db2.gz LUJSWBXBWSIPHJ-UHFFFAOYSA-N 2 2 283.397 0.368 20 0 CCADLP CC[NH+](CC)CCC[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000088538754 544508948 /nfs/dbraw/zinc/50/89/48/544508948.db2.gz VQNQKLHYTIBYSR-UHFFFAOYSA-N 2 2 289.401 0.749 20 0 CCADLP [NH3+]CCC[NH+]1CCN(C(=O)N2CCCCC2)CC1 ZINC000091969028 544528905 /nfs/dbraw/zinc/52/89/05/544528905.db2.gz NQQXSIUEAJAVQU-UHFFFAOYSA-N 2 2 254.378 0.559 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)C2([NH3+])CCCC2)CC1 ZINC000178685344 544746048 /nfs/dbraw/zinc/74/60/48/544746048.db2.gz RUVHRXGNVGGGGH-UHFFFAOYSA-N 2 2 269.389 0.439 20 0 CCADLP Cc1cc(NC(=O)CC[N@@H+]2CCO[C@H]([C@H](C)[NH3+])C2)no1 ZINC000228136924 544841521 /nfs/dbraw/zinc/84/15/21/544841521.db2.gz HKHLWZMMJKZLHS-QWRGUYRKSA-N 2 2 282.344 0.360 20 0 CCADLP Cc1cc(NC(=O)CC[N@H+]2CCO[C@H]([C@H](C)[NH3+])C2)no1 ZINC000228136924 544841523 /nfs/dbraw/zinc/84/15/23/544841523.db2.gz HKHLWZMMJKZLHS-QWRGUYRKSA-N 2 2 282.344 0.360 20 0 CCADLP COC[C@](C)([NH3+])CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000488386872 420307071 /nfs/dbraw/zinc/30/70/71/420307071.db2.gz OSNSRUJLQZXOFY-LLVKDONJSA-N 2 2 254.338 0.022 20 0 CCADLP CC(C)[C@@H](CCO)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000355056328 545074386 /nfs/dbraw/zinc/07/43/86/545074386.db2.gz MXXHJSZRRUPPMH-LXTVHRRPSA-N 2 2 288.432 0.453 20 0 CCADLP CC(C)[C@@H](CCO)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000355056328 545074388 /nfs/dbraw/zinc/07/43/88/545074388.db2.gz MXXHJSZRRUPPMH-LXTVHRRPSA-N 2 2 288.432 0.453 20 0 CCADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000336631190 545051017 /nfs/dbraw/zinc/05/10/17/545051017.db2.gz CBOLUUXIDVKZLQ-WDEREUQCSA-N 2 2 250.346 0.893 20 0 CCADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000336631190 545051019 /nfs/dbraw/zinc/05/10/19/545051019.db2.gz CBOLUUXIDVKZLQ-WDEREUQCSA-N 2 2 250.346 0.893 20 0 CCADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000336631190 545051020 /nfs/dbraw/zinc/05/10/20/545051020.db2.gz CBOLUUXIDVKZLQ-WDEREUQCSA-N 2 2 250.346 0.893 20 0 CCADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000336631190 545051022 /nfs/dbraw/zinc/05/10/22/545051022.db2.gz CBOLUUXIDVKZLQ-WDEREUQCSA-N 2 2 250.346 0.893 20 0 CCADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)[C@@H]1CCOC1 ZINC000337211406 545051463 /nfs/dbraw/zinc/05/14/63/545051463.db2.gz AMXCRPVCPZFJHU-KJWHEZOQSA-N 2 2 286.416 0.471 20 0 CCADLP O=C(N[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21)[C@@H]1CCc2c[nH+]cn2C1 ZINC000960658187 649857027 /nfs/dbraw/zinc/85/70/27/649857027.db2.gz JLHPGHCRRKCWJR-ZZVYKPCYSA-N 2 2 292.358 0.461 20 0 CCADLP O=C(N[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21)[C@@H]1CCc2c[nH+]cn2C1 ZINC000960658187 649857028 /nfs/dbraw/zinc/85/70/28/649857028.db2.gz JLHPGHCRRKCWJR-ZZVYKPCYSA-N 2 2 292.358 0.461 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000519178615 265354592 /nfs/dbraw/zinc/35/45/92/265354592.db2.gz MFSDTESLSAXWRC-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+]2CCOC(C)(C)C2)C1 ZINC000519178615 265354594 /nfs/dbraw/zinc/35/45/94/265354594.db2.gz MFSDTESLSAXWRC-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000519178615 265354595 /nfs/dbraw/zinc/35/45/95/265354595.db2.gz MFSDTESLSAXWRC-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000519178615 265354597 /nfs/dbraw/zinc/35/45/97/265354597.db2.gz MFSDTESLSAXWRC-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000335369255 274897165 /nfs/dbraw/zinc/89/71/65/274897165.db2.gz VNUINBSRVVSSON-CHWSQXEVSA-N 2 2 276.384 0.811 20 0 CCADLP C(CN1CCSCC1)[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422710341 275392709 /nfs/dbraw/zinc/39/27/09/275392709.db2.gz LRVOVJLOPYKAKG-ZIAGYGMSSA-N 2 2 285.457 0.392 20 0 CCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C1([NH3+])CC1)C2 ZINC000353644427 275760921 /nfs/dbraw/zinc/76/09/21/275760921.db2.gz SQABKTSKIGTONS-UHFFFAOYSA-N 2 2 262.357 0.920 20 0 CCADLP CCC[C@@H]1C(=O)NCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000328692372 276027795 /nfs/dbraw/zinc/02/77/95/276027795.db2.gz RPSVAVAMSXZXCG-CYBMUJFWSA-N 2 2 296.415 0.591 20 0 CCADLP CCC[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000328692372 276027797 /nfs/dbraw/zinc/02/77/97/276027797.db2.gz RPSVAVAMSXZXCG-CYBMUJFWSA-N 2 2 296.415 0.591 20 0 CCADLP CC[NH+](CC)C[C@H](C)NC(=O)NCc1[nH+]ccn1C ZINC000348442693 276107775 /nfs/dbraw/zinc/10/77/75/276107775.db2.gz NWRYNZSFIOCJCO-NSHDSACASA-N 2 2 267.377 0.950 20 0 CCADLP CCN(CC)C(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420361372 276317130 /nfs/dbraw/zinc/31/71/30/276317130.db2.gz GVMUEIQPMLOYGC-CQSZACIVSA-N 2 2 253.390 0.930 20 0 CCADLP CCN(CC)C(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420361372 276317132 /nfs/dbraw/zinc/31/71/32/276317132.db2.gz GVMUEIQPMLOYGC-CQSZACIVSA-N 2 2 253.390 0.930 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425349120 276388510 /nfs/dbraw/zinc/38/85/10/276388510.db2.gz KTDPORNPVCOTAB-SNVBAGLBSA-N 2 2 288.417 0.399 20 0 CCADLP CC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1nccn1C ZINC000182819237 276532024 /nfs/dbraw/zinc/53/20/24/276532024.db2.gz VNYLMQBHMFSNDM-CYBMUJFWSA-N 2 2 293.415 0.625 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000332620520 277046449 /nfs/dbraw/zinc/04/64/49/277046449.db2.gz NPEBHYBDGKMOBN-NWDGAFQWSA-N 2 2 280.372 0.097 20 0 CCADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000332620520 277046451 /nfs/dbraw/zinc/04/64/51/277046451.db2.gz NPEBHYBDGKMOBN-NWDGAFQWSA-N 2 2 280.372 0.097 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000332620520 277046452 /nfs/dbraw/zinc/04/64/52/277046452.db2.gz NPEBHYBDGKMOBN-NWDGAFQWSA-N 2 2 280.372 0.097 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000332620520 277046453 /nfs/dbraw/zinc/04/64/53/277046453.db2.gz NPEBHYBDGKMOBN-NWDGAFQWSA-N 2 2 280.372 0.097 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)CC1 ZINC000374631228 277090469 /nfs/dbraw/zinc/09/04/69/277090469.db2.gz MVUHQCKASATMNV-GJZGRUSLSA-N 2 2 281.400 0.308 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](CCCn2cc[nH+]c2)CCO1 ZINC000152006383 277099522 /nfs/dbraw/zinc/09/95/22/277099522.db2.gz ANHNHVFIMHAANL-NSHDSACASA-N 2 2 253.302 0.147 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)CCO1 ZINC000152006383 277099523 /nfs/dbraw/zinc/09/95/23/277099523.db2.gz ANHNHVFIMHAANL-NSHDSACASA-N 2 2 253.302 0.147 20 0 CCADLP COCC1(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CC[NH2+]CC1 ZINC000423410222 277199502 /nfs/dbraw/zinc/19/95/02/277199502.db2.gz RMLABHKKBUIRMY-QWHCGFSZSA-N 3 2 255.406 0.542 20 0 CCADLP COCC1(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CC[NH2+]CC1 ZINC000423410222 277199503 /nfs/dbraw/zinc/19/95/03/277199503.db2.gz RMLABHKKBUIRMY-QWHCGFSZSA-N 3 2 255.406 0.542 20 0 CCADLP COCC[N@H+](C)CCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000488574330 277213273 /nfs/dbraw/zinc/21/32/73/277213273.db2.gz CYHNXZSHQMTEFP-LBPRGKRZSA-N 2 2 295.387 0.075 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000488574330 277213274 /nfs/dbraw/zinc/21/32/74/277213274.db2.gz CYHNXZSHQMTEFP-LBPRGKRZSA-N 2 2 295.387 0.075 20 0 CCADLP COCC[NH2+]CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000414868832 277230332 /nfs/dbraw/zinc/23/03/32/277230332.db2.gz FGOVMCSVNQJHRJ-MCIONIFRSA-N 3 2 255.406 0.733 20 0 CCADLP COC[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)[C@@H]1CCCO1 ZINC000419738081 277248288 /nfs/dbraw/zinc/24/82/88/277248288.db2.gz YVTPFIKFEKDSTI-OLZOCXBDSA-N 2 2 282.388 0.770 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@@H](C)[NH+]1C ZINC000358662735 287976038 /nfs/dbraw/zinc/97/60/38/287976038.db2.gz JPEFQTUUWORBGC-JHJVBQTASA-N 2 2 276.384 0.997 20 0 CCADLP C(CN1CCSCC1)[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422710339 277717939 /nfs/dbraw/zinc/71/79/39/277717939.db2.gz LRVOVJLOPYKAKG-KGLIPLIRSA-N 2 2 285.457 0.392 20 0 CCADLP CC1(C)CCC[NH2+][C@@H]1CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000336599508 278222167 /nfs/dbraw/zinc/22/21/67/278222167.db2.gz CPEVHNCYDPVQRL-VHSXEESVSA-N 2 2 275.343 0.878 20 0 CCADLP C[C@H]1CCCC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000020052894 278337768 /nfs/dbraw/zinc/33/77/68/278337768.db2.gz ATMZXHQGZSSCTR-QWHCGFSZSA-N 2 2 253.390 0.929 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCN1C(=O)NC2(CCCC2)C1=O ZINC000359097778 288097424 /nfs/dbraw/zinc/09/74/24/288097424.db2.gz CLHONJDTAWCHIQ-VXGBXAGGSA-N 2 2 294.399 0.391 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCN1C(=O)NC2(CCCC2)C1=O ZINC000359097778 288097426 /nfs/dbraw/zinc/09/74/26/288097426.db2.gz CLHONJDTAWCHIQ-VXGBXAGGSA-N 2 2 294.399 0.391 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000414755984 279180691 /nfs/dbraw/zinc/18/06/91/279180691.db2.gz IPIDCVLRLGUQEP-CYDGBPFRSA-N 2 2 253.390 0.946 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000414755984 279180694 /nfs/dbraw/zinc/18/06/94/279180694.db2.gz IPIDCVLRLGUQEP-CYDGBPFRSA-N 2 2 253.390 0.946 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)C[C@@H](C)OC)CC1 ZINC000353209477 279346577 /nfs/dbraw/zinc/34/65/77/279346577.db2.gz YTUSEKOSUXUEBO-OLZOCXBDSA-N 2 2 271.405 0.506 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@@H](C)OC)CC1 ZINC000353209477 279346578 /nfs/dbraw/zinc/34/65/78/279346578.db2.gz YTUSEKOSUXUEBO-OLZOCXBDSA-N 2 2 271.405 0.506 20 0 CCADLP CC[NH+]1CCN(CCC[NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422871064 279357196 /nfs/dbraw/zinc/35/71/96/279357196.db2.gz ZQQPUEJBSNMKOD-CABCVRRESA-N 3 2 268.449 0.602 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000356265688 279378502 /nfs/dbraw/zinc/37/85/02/279378502.db2.gz XLHVCTKEUJRGBC-GDBMZVCRSA-N 2 2 295.427 0.651 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000356265688 279378504 /nfs/dbraw/zinc/37/85/04/279378504.db2.gz XLHVCTKEUJRGBC-GDBMZVCRSA-N 2 2 295.427 0.651 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000356265688 279378506 /nfs/dbraw/zinc/37/85/06/279378506.db2.gz XLHVCTKEUJRGBC-GDBMZVCRSA-N 2 2 295.427 0.651 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000356265688 279378507 /nfs/dbraw/zinc/37/85/07/279378507.db2.gz XLHVCTKEUJRGBC-GDBMZVCRSA-N 2 2 295.427 0.651 20 0 CCADLP C[C@H]1C[NH+]=C(N2CC[NH+](CCn3cccn3)CC2)S1 ZINC000079497274 279905260 /nfs/dbraw/zinc/90/52/60/279905260.db2.gz XHORDCDAZHOOFN-LBPRGKRZSA-N 2 2 279.413 0.992 20 0 CCADLP CCS(=O)(=O)N(C)CCC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000358004167 280009403 /nfs/dbraw/zinc/00/94/03/280009403.db2.gz KVFQZEWTEDNVIO-NEPJUHHUSA-N 2 2 277.434 0.198 20 0 CCADLP CCS(=O)(=O)N(C)CCC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000358004167 280009404 /nfs/dbraw/zinc/00/94/04/280009404.db2.gz KVFQZEWTEDNVIO-NEPJUHHUSA-N 2 2 277.434 0.198 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)[C@@H](C)[C@@H](C)O1 ZINC000351646487 288197173 /nfs/dbraw/zinc/19/71/73/288197173.db2.gz GZHQSGRDBRREJI-GFQSEFKGSA-N 2 2 256.390 0.939 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)[C@@H](C)[C@@H](C)O1 ZINC000351646487 288197174 /nfs/dbraw/zinc/19/71/74/288197174.db2.gz GZHQSGRDBRREJI-GFQSEFKGSA-N 2 2 256.390 0.939 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)[C@@H](C)[C@@H](C)O1 ZINC000351646487 288197176 /nfs/dbraw/zinc/19/71/76/288197176.db2.gz GZHQSGRDBRREJI-GFQSEFKGSA-N 2 2 256.390 0.939 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)[C@@H](C)[C@@H](C)O1 ZINC000351646487 288197179 /nfs/dbraw/zinc/19/71/79/288197179.db2.gz GZHQSGRDBRREJI-GFQSEFKGSA-N 2 2 256.390 0.939 20 0 CCADLP Cc1cc(NC(=O)C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)no1 ZINC000357088821 280293444 /nfs/dbraw/zinc/29/34/44/280293444.db2.gz OZXONPDKBUKUIO-CYBMUJFWSA-N 2 2 292.383 0.665 20 0 CCADLP CC(C)[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)C(=O)N1CCOCC1 ZINC000422848010 280334185 /nfs/dbraw/zinc/33/41/85/280334185.db2.gz JCTKORVPVKSDKZ-RDBSUJKOSA-N 2 2 283.416 0.600 20 0 CCADLP CC[C@H]1CO[C@H](C)C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000356126745 288332736 /nfs/dbraw/zinc/33/27/36/288332736.db2.gz UQEYRRFOKPDATQ-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@H]1CO[C@H](C)C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000356126745 288332738 /nfs/dbraw/zinc/33/27/38/288332738.db2.gz UQEYRRFOKPDATQ-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000261921200 282072379 /nfs/dbraw/zinc/07/23/79/282072379.db2.gz ZMKPIRMWNCTVGA-ZDUSSCGKSA-N 2 2 284.448 0.504 20 0 CCADLP C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359292976 289260892 /nfs/dbraw/zinc/26/08/92/289260892.db2.gz AMNJQPCUQMRJMS-MCIONIFRSA-N 2 2 265.401 0.785 20 0 CCADLP C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359292976 289260893 /nfs/dbraw/zinc/26/08/93/289260893.db2.gz AMNJQPCUQMRJMS-MCIONIFRSA-N 2 2 265.401 0.785 20 0 CCADLP C[NH+](C)[C@H]1CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000366977433 289373826 /nfs/dbraw/zinc/37/38/26/289373826.db2.gz TVXUBODUSROYCY-HNNXBMFYSA-N 3 2 296.459 0.567 20 0 CCADLP C[NH+](C)[C@H]1CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000366977433 289373827 /nfs/dbraw/zinc/37/38/27/289373827.db2.gz TVXUBODUSROYCY-HNNXBMFYSA-N 3 2 296.459 0.567 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000423737750 289654727 /nfs/dbraw/zinc/65/47/27/289654727.db2.gz FRCIKOGRQBPRMI-LLVKDONJSA-N 2 2 257.378 0.150 20 0 CCADLP C[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C2(CCCCC2)C1 ZINC000365907379 290074529 /nfs/dbraw/zinc/07/45/29/290074529.db2.gz JOUOFMAIIMPKJV-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C2(CCCCC2)C1 ZINC000365907379 290074530 /nfs/dbraw/zinc/07/45/30/290074530.db2.gz JOUOFMAIIMPKJV-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](C)CC23CCCCC3)C1 ZINC000365907379 290074532 /nfs/dbraw/zinc/07/45/32/290074532.db2.gz JOUOFMAIIMPKJV-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](C)CC23CCCCC3)C1 ZINC000365907379 290074533 /nfs/dbraw/zinc/07/45/33/290074533.db2.gz JOUOFMAIIMPKJV-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@@H+]1CC[C@H](NCC[NH+]2CCC(O)CC2)[C@@H]2CCC[C@H]21 ZINC000453347174 290217919 /nfs/dbraw/zinc/21/79/19/290217919.db2.gz FJKMGOUMTAODKS-HRCADAONSA-N 2 2 281.444 0.906 20 0 CCADLP C[N@H+]1CC[C@H](NCC[NH+]2CCC(O)CC2)[C@@H]2CCC[C@H]21 ZINC000453347174 290217921 /nfs/dbraw/zinc/21/79/21/290217921.db2.gz FJKMGOUMTAODKS-HRCADAONSA-N 2 2 281.444 0.906 20 0 CCADLP Cn1cc(N2CC[C@@H]([NH2+][C@@H]3CCCC[C@H]3[NH3+])C2=O)cn1 ZINC000424299940 294252948 /nfs/dbraw/zinc/25/29/48/294252948.db2.gz WGQWBORFFGQVCI-JHJVBQTASA-N 2 2 277.372 0.385 20 0 CCADLP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346847526 295498551 /nfs/dbraw/zinc/49/85/51/295498551.db2.gz PEJYPZGAKJTOIK-OAHLLOKOSA-N 3 2 294.443 0.226 20 0 CCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N(C)CC(F)(F)F ZINC000442781355 297250338 /nfs/dbraw/zinc/25/03/38/297250338.db2.gz PIYFVELNNCSAAM-BDAKNGLRSA-N 2 2 267.295 0.676 20 0 CCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N(C)CC(F)(F)F ZINC000442781355 297250340 /nfs/dbraw/zinc/25/03/40/297250340.db2.gz PIYFVELNNCSAAM-BDAKNGLRSA-N 2 2 267.295 0.676 20 0 CCADLP CO[C@]1(CO)CCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000401791351 545090361 /nfs/dbraw/zinc/09/03/61/545090361.db2.gz HGLZJFMPLZOMLZ-UONOGXRCSA-N 2 2 274.405 0.161 20 0 CCADLP CO[C@]1(CO)CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000401791351 545090362 /nfs/dbraw/zinc/09/03/62/545090362.db2.gz HGLZJFMPLZOMLZ-UONOGXRCSA-N 2 2 274.405 0.161 20 0 CCADLP CO[C@]1(CO)CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000401791351 545090363 /nfs/dbraw/zinc/09/03/63/545090363.db2.gz HGLZJFMPLZOMLZ-UONOGXRCSA-N 2 2 274.405 0.161 20 0 CCADLP CO[C@]1(CO)CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000401791351 545090364 /nfs/dbraw/zinc/09/03/64/545090364.db2.gz HGLZJFMPLZOMLZ-UONOGXRCSA-N 2 2 274.405 0.161 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000388773899 545086531 /nfs/dbraw/zinc/08/65/31/545086531.db2.gz PMCKERPFYFHQDD-QWRGUYRKSA-N 2 2 284.322 0.687 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000388773899 545086532 /nfs/dbraw/zinc/08/65/32/545086532.db2.gz PMCKERPFYFHQDD-QWRGUYRKSA-N 2 2 284.322 0.687 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000388773899 545086533 /nfs/dbraw/zinc/08/65/33/545086533.db2.gz PMCKERPFYFHQDD-QWRGUYRKSA-N 2 2 284.322 0.687 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000388773899 545086534 /nfs/dbraw/zinc/08/65/34/545086534.db2.gz PMCKERPFYFHQDD-QWRGUYRKSA-N 2 2 284.322 0.687 20 0 CCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428032631 298120133 /nfs/dbraw/zinc/12/01/33/298120133.db2.gz ONKIZRHEQPYXSJ-UTUOFQBUSA-N 2 2 296.415 0.683 20 0 CCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428032631 298120136 /nfs/dbraw/zinc/12/01/36/298120136.db2.gz ONKIZRHEQPYXSJ-UTUOFQBUSA-N 2 2 296.415 0.683 20 0 CCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114198336 298120195 /nfs/dbraw/zinc/12/01/95/298120195.db2.gz ZCGXVACMZUHEIQ-VXGBXAGGSA-N 2 2 298.431 0.883 20 0 CCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114198336 298120197 /nfs/dbraw/zinc/12/01/97/298120197.db2.gz ZCGXVACMZUHEIQ-VXGBXAGGSA-N 2 2 298.431 0.883 20 0 CCADLP C[C@H](C1CC1)N(C(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1)C1CC1 ZINC000518502080 298249139 /nfs/dbraw/zinc/24/91/39/298249139.db2.gz KFYBWCCKDKBHHZ-IUODEOHRSA-N 2 2 295.427 0.826 20 0 CCADLP C[C@H](C1CC1)N(C(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1)C1CC1 ZINC000518502080 298249142 /nfs/dbraw/zinc/24/91/42/298249142.db2.gz KFYBWCCKDKBHHZ-IUODEOHRSA-N 2 2 295.427 0.826 20 0 CCADLP C[C@H](C[NH3+])C(=O)NC1(c2noc(C[NH+](C)C)n2)CCCC1 ZINC000262418778 298521025 /nfs/dbraw/zinc/52/10/25/298521025.db2.gz RMPCXOXEOBOFAG-SNVBAGLBSA-N 2 2 295.387 0.612 20 0 CCADLP C[C@H](C[NH3+])CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000418489460 298525750 /nfs/dbraw/zinc/52/57/50/298525750.db2.gz LRWXJINSXVPVKD-OLZOCXBDSA-N 2 2 284.404 0.087 20 0 CCADLP [NH3+]CCNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000158705553 303382851 /nfs/dbraw/zinc/38/28/51/303382851.db2.gz JYVXBBQQVBXEIS-ZDUSSCGKSA-N 2 2 279.409 0.851 20 0 CCADLP [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000424126858 303475420 /nfs/dbraw/zinc/47/54/20/303475420.db2.gz CCHPXTHVQOPPML-ZNMIVQPWSA-N 2 2 289.379 0.523 20 0 CCADLP COCC[NH+]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000580082942 327693667 /nfs/dbraw/zinc/69/36/67/327693667.db2.gz ZHMULSZJXHGHBS-ZDUSSCGKSA-N 2 2 280.372 0.625 20 0 CCADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NC(=O)NCC(F)(F)F ZINC000583701076 329093039 /nfs/dbraw/zinc/09/30/39/329093039.db2.gz CACHJZYPNHOVJM-JGVFFNPUSA-N 2 2 296.293 0.186 20 0 CCADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NC(=O)NCC(F)(F)F ZINC000583701076 329093041 /nfs/dbraw/zinc/09/30/41/329093041.db2.gz CACHJZYPNHOVJM-JGVFFNPUSA-N 2 2 296.293 0.186 20 0 CCADLP CCC1(CO)CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)CC1 ZINC000582525049 329106931 /nfs/dbraw/zinc/10/69/31/329106931.db2.gz WIXHONHGKTZJKE-AWEZNQCLSA-N 2 2 288.432 0.410 20 0 CCADLP CCC1(CO)CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)CC1 ZINC000582525049 329106932 /nfs/dbraw/zinc/10/69/32/329106932.db2.gz WIXHONHGKTZJKE-AWEZNQCLSA-N 2 2 288.432 0.410 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)n1C ZINC000575322574 335093498 /nfs/dbraw/zinc/09/34/98/335093498.db2.gz MHCBSDNNWRTWOB-LLVKDONJSA-N 2 2 291.399 0.587 20 0 CCADLP CN(Cc1cnn(C)c1)C(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000566012373 327114332 /nfs/dbraw/zinc/11/43/32/327114332.db2.gz BHRWINPTUGQAOG-UHFFFAOYSA-N 2 2 279.388 0.062 20 0 CCADLP CN(Cc1cnn(C)c1)C(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000566012373 327114334 /nfs/dbraw/zinc/11/43/34/327114334.db2.gz BHRWINPTUGQAOG-UHFFFAOYSA-N 2 2 279.388 0.062 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)[C@H](C)[NH+]2CC(C)C2)CCO1 ZINC000574099558 327289729 /nfs/dbraw/zinc/28/97/29/327289729.db2.gz WSLNMNPHINMRTL-KBPBESRZSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)[C@H](C)[NH+]2CC(C)C2)CCO1 ZINC000574099558 327289730 /nfs/dbraw/zinc/28/97/30/327289730.db2.gz WSLNMNPHINMRTL-KBPBESRZSA-N 2 2 283.416 0.554 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(c2ncc(C)s2)CC1 ZINC000584355549 328735619 /nfs/dbraw/zinc/73/56/19/328735619.db2.gz AXHMRNJOIONKBN-CYBMUJFWSA-N 2 2 284.429 0.544 20 0 CCADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)[C@H]1CCCCC[NH2+]1 ZINC000582231033 328825347 /nfs/dbraw/zinc/82/53/47/328825347.db2.gz CMGQKLATPPWKGL-GHMZBOCLSA-N 2 2 275.343 0.880 20 0 CCADLP COc1c[nH+]ccc1N1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000582880382 329284654 /nfs/dbraw/zinc/28/46/54/329284654.db2.gz AFJGYFHUCDALHR-CYBMUJFWSA-N 2 2 290.367 0.491 20 0 CCADLP C[NH+](C)[C@@H]1CCN(C(=O)[C@H]([NH3+])c2cscn2)C1 ZINC000582962396 329290436 /nfs/dbraw/zinc/29/04/36/329290436.db2.gz TXXINNUMCRYUEW-PSASIEDQSA-N 2 2 254.359 0.305 20 0 CCADLP Cc1[nH+]cc(C[NH2+]Cc2cccc(OCC(N)=O)c2)n1C ZINC000583155089 329324090 /nfs/dbraw/zinc/32/40/90/329324090.db2.gz LVGAMPODYARFBJ-UHFFFAOYSA-N 2 2 288.351 0.882 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000575742194 335110810 /nfs/dbraw/zinc/11/08/10/335110810.db2.gz SNQPVZVRQXOXLC-MQYQWHSLSA-N 2 2 281.400 0.496 20 0 CCADLP CCC[C@@H]1C(=O)NCC[N@H+]1CCCc1c[nH+]cn1C ZINC000575878651 335127495 /nfs/dbraw/zinc/12/74/95/335127495.db2.gz YQJIAYBFRHIXTR-CYBMUJFWSA-N 2 2 264.373 0.953 20 0 CCADLP CCC[C@@H]1C(=O)NCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000575878651 335127496 /nfs/dbraw/zinc/12/74/96/335127496.db2.gz YQJIAYBFRHIXTR-CYBMUJFWSA-N 2 2 264.373 0.953 20 0 CCADLP CN(C)c1[nH+]cc(CNC[C@@H](O)C[N@H+](C)C2CC2)n1C ZINC000575861635 335124794 /nfs/dbraw/zinc/12/47/94/335124794.db2.gz DHQHJTUBRSUTIG-CYBMUJFWSA-N 2 2 281.404 0.031 20 0 CCADLP CN(C)c1[nH+]cc(CNC[C@@H](O)C[N@@H+](C)C2CC2)n1C ZINC000575861635 335124795 /nfs/dbraw/zinc/12/47/95/335124795.db2.gz DHQHJTUBRSUTIG-CYBMUJFWSA-N 2 2 281.404 0.031 20 0 CCADLP [NH3+]C1(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000575991988 335139315 /nfs/dbraw/zinc/13/93/15/335139315.db2.gz LEVCPTWISXQAIS-UHFFFAOYSA-N 2 2 288.395 0.416 20 0 CCADLP CC(C)CCOCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000576133621 335158958 /nfs/dbraw/zinc/15/89/58/335158958.db2.gz XDSMGKIWMNHPPH-ZDUSSCGKSA-N 2 2 286.420 0.333 20 0 CCADLP C[C@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)[NH+]1CC(C)C1 ZINC000553498541 334388906 /nfs/dbraw/zinc/38/89/06/334388906.db2.gz PYHPVMAVFYTIIA-CQSZACIVSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCc2ccco2)C[C@@H](C)O1 ZINC000566107096 334623534 /nfs/dbraw/zinc/62/35/34/334623534.db2.gz FGDADMUXENWAFC-MCIONIFRSA-N 2 2 282.384 0.882 20 0 CCADLP C[NH2+][C@H]1CCCN(C(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000576463277 335206821 /nfs/dbraw/zinc/20/68/21/335206821.db2.gz NMZLAXCSALUEMD-WPRPVWTQSA-N 2 2 254.359 0.353 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000576701547 335236708 /nfs/dbraw/zinc/23/67/08/335236708.db2.gz GSHWBFQESPUTPP-IHRRRGAJSA-N 2 2 298.431 0.618 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCC[C@H]2CCCCO2)[C@H](C[NH3+])C1 ZINC000576729995 335241089 /nfs/dbraw/zinc/24/10/89/335241089.db2.gz RWYJGKPAYMISNS-ZIAGYGMSSA-N 2 2 298.431 0.620 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCC[C@H]2CCCCO2)[C@H](C[NH3+])C1 ZINC000576729995 335241090 /nfs/dbraw/zinc/24/10/90/335241090.db2.gz RWYJGKPAYMISNS-ZIAGYGMSSA-N 2 2 298.431 0.620 20 0 CCADLP C[C@H](CC[NH+](C)C)NC[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000580554616 335279438 /nfs/dbraw/zinc/27/94/38/335279438.db2.gz ZTCRWNKDIWWYTN-QPSCCSFWSA-N 2 2 287.448 0.386 20 0 CCADLP COCC(C)(C)[NH+]1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000577217179 335324359 /nfs/dbraw/zinc/32/43/59/335324359.db2.gz OSQCZPSQDVYTMD-UHFFFAOYSA-N 2 2 292.383 0.728 20 0 CCADLP O=C(NCC[C@H]1CC[NH2+]C1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000577630581 335382827 /nfs/dbraw/zinc/38/28/27/335382827.db2.gz ODZJEIPNPSPTHD-LLVKDONJSA-N 2 2 286.339 0.392 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+](C)CC(=O)NCc1cccs1 ZINC000577641988 335384852 /nfs/dbraw/zinc/38/48/52/335384852.db2.gz YXSVREUJZPPFFK-CYBMUJFWSA-N 2 2 285.413 0.267 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CC(=O)NCc1cccs1 ZINC000577641988 335384853 /nfs/dbraw/zinc/38/48/53/335384853.db2.gz YXSVREUJZPPFFK-CYBMUJFWSA-N 2 2 285.413 0.267 20 0 CCADLP Cc1noc(C)c1CCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000577749722 335396987 /nfs/dbraw/zinc/39/69/87/335396987.db2.gz PWRLNQPUJWDNBI-GFCCVEGCSA-N 2 2 280.372 0.325 20 0 CCADLP Cc1noc(C)c1CCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000577749722 335396988 /nfs/dbraw/zinc/39/69/88/335396988.db2.gz PWRLNQPUJWDNBI-GFCCVEGCSA-N 2 2 280.372 0.325 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)CC(F)(F)C[NH3+] ZINC000579727131 335874806 /nfs/dbraw/zinc/87/48/06/335874806.db2.gz QKZYPWKXJMYHAI-UHFFFAOYSA-N 2 2 260.288 0.682 20 0 CCADLP Cn1ncc2c1nc(N)[nH+]c2NCCCCn1cc[nH+]c1 ZINC000580902618 335982403 /nfs/dbraw/zinc/98/24/03/335982403.db2.gz LNSGGDJCGUDHNV-UHFFFAOYSA-N 2 2 286.343 0.865 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])[C@H]([NH3+])c1ccccc1 ZINC000581061679 336001962 /nfs/dbraw/zinc/00/19/62/336001962.db2.gz PZLSLCJBNUWAHX-QEJZJMRPSA-N 3 2 290.411 0.424 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])[C@H]([NH3+])c1ccccc1 ZINC000581061679 336001963 /nfs/dbraw/zinc/00/19/63/336001963.db2.gz PZLSLCJBNUWAHX-QEJZJMRPSA-N 3 2 290.411 0.424 20 0 CCADLP C[C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C[NH+]1CCOCC1 ZINC000581140686 336014704 /nfs/dbraw/zinc/01/47/04/336014704.db2.gz OXYAOOPNDRDVJG-OLZOCXBDSA-N 2 2 294.399 0.673 20 0 CCADLP C[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C[NH+]1CCOCC1 ZINC000581140686 336014705 /nfs/dbraw/zinc/01/47/05/336014705.db2.gz OXYAOOPNDRDVJG-OLZOCXBDSA-N 2 2 294.399 0.673 20 0 CCADLP CCCCOCC[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581424577 336074943 /nfs/dbraw/zinc/07/49/43/336074943.db2.gz WWPXSYKOALNEQU-ZNMIVQPWSA-N 2 2 288.432 0.863 20 0 CCADLP CCCCOCC[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581424577 336074945 /nfs/dbraw/zinc/07/49/45/336074945.db2.gz WWPXSYKOALNEQU-ZNMIVQPWSA-N 2 2 288.432 0.863 20 0 CCADLP C[N@H+](CC(=O)Nc1ccc2c(c1)OCO2)C1CC([NH3+])C1 ZINC000384762211 336130821 /nfs/dbraw/zinc/13/08/21/336130821.db2.gz QIGNRDRNBOHGKS-UHFFFAOYSA-N 2 2 277.324 0.775 20 0 CCADLP C[N@@H+](CC(=O)Nc1ccc2c(c1)OCO2)C1CC([NH3+])C1 ZINC000384762211 336130822 /nfs/dbraw/zinc/13/08/22/336130822.db2.gz QIGNRDRNBOHGKS-UHFFFAOYSA-N 2 2 277.324 0.775 20 0 CCADLP C[N@@H+]1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)[C@H](C[NH3+])C1 ZINC000581776916 336145672 /nfs/dbraw/zinc/14/56/72/336145672.db2.gz DUTOSCNUIGSMLI-CABCVRRESA-N 3 2 290.411 0.568 20 0 CCADLP C[N@H+]1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)[C@H](C[NH3+])C1 ZINC000581776916 336145674 /nfs/dbraw/zinc/14/56/74/336145674.db2.gz DUTOSCNUIGSMLI-CABCVRRESA-N 3 2 290.411 0.568 20 0 CCADLP c1cn2c(cccc2C[NH2+][C@H]2CCc3nnnn3CC2)[nH+]1 ZINC000581937299 336172460 /nfs/dbraw/zinc/17/24/60/336172460.db2.gz OPLAXFGCTVGMDA-NSHDSACASA-N 2 2 283.339 0.816 20 0 CCADLP CC[NH+](CC)CCSCC(=O)N1CC[NH+](C)CC1 ZINC000340696406 520706229 /nfs/dbraw/zinc/70/62/29/520706229.db2.gz OSHZTXRTNAYRJL-UHFFFAOYSA-N 2 2 273.446 0.835 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000417516683 545094151 /nfs/dbraw/zinc/09/41/51/545094151.db2.gz OIJKKDKCPBGHBU-UPJWGTAASA-N 2 2 284.404 0.276 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000417516683 545094152 /nfs/dbraw/zinc/09/41/52/545094152.db2.gz OIJKKDKCPBGHBU-UPJWGTAASA-N 2 2 284.404 0.276 20 0 CCADLP C[C@@H]1CCC[C@H]1[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000358152680 533895530 /nfs/dbraw/zinc/89/55/30/533895530.db2.gz HLAMHJFEPJHZBP-QLFBSQMISA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC[NH2+]1 ZINC000423624212 533936329 /nfs/dbraw/zinc/93/63/29/533936329.db2.gz PGYUHMNYAYXOGS-UMVBOHGHSA-N 2 2 295.427 0.887 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC[NH2+]1 ZINC000423624212 533936341 /nfs/dbraw/zinc/93/63/41/533936341.db2.gz PGYUHMNYAYXOGS-UMVBOHGHSA-N 2 2 295.427 0.887 20 0 CCADLP C[C@@H](CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[NH+](C)C ZINC000454708744 533982735 /nfs/dbraw/zinc/98/27/35/533982735.db2.gz GTPPIMHQAZXUGR-QWHCGFSZSA-N 2 2 291.399 0.910 20 0 CCADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])c1 ZINC000423444824 517976257 /nfs/dbraw/zinc/97/62/57/517976257.db2.gz MFUFSQSIDLREHG-MXWKQRLJSA-N 2 2 285.413 0.981 20 0 CCADLP O=C(CCOC1C[NH2+]C1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000423799538 534434621 /nfs/dbraw/zinc/43/46/21/534434621.db2.gz KKOJXXCIGDYUIB-LBPRGKRZSA-N 2 2 290.367 0.155 20 0 CCADLP CC(C)N(C)C(=O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357722171 519588798 /nfs/dbraw/zinc/58/87/98/519588798.db2.gz PPEDHLUHROXRPM-UHFFFAOYSA-N 2 2 271.405 0.242 20 0 CCADLP CC(C)N(C)C(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357722171 519588804 /nfs/dbraw/zinc/58/88/04/519588804.db2.gz PPEDHLUHROXRPM-UHFFFAOYSA-N 2 2 271.405 0.242 20 0 CCADLP CC[N@H+](C)CCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000049369770 520234752 /nfs/dbraw/zinc/23/47/52/520234752.db2.gz IZQAWDJNXKKVEI-LLVKDONJSA-N 2 2 253.350 0.523 20 0 CCADLP CC[N@@H+](C)CCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000049369770 520234759 /nfs/dbraw/zinc/23/47/59/520234759.db2.gz IZQAWDJNXKKVEI-LLVKDONJSA-N 2 2 253.350 0.523 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000364994093 521275309 /nfs/dbraw/zinc/27/53/09/521275309.db2.gz KMCCXLSYCYREIA-JSGCOSHPSA-N 2 2 269.389 0.437 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccn[nH]3)CC2)CC1 ZINC000050798506 523766467 /nfs/dbraw/zinc/76/64/67/523766467.db2.gz KFWXLPKAPOAPMQ-UHFFFAOYSA-N 2 2 291.399 0.698 20 0 CCADLP C[NH+]1CCN(c2cc(C[NH2+]Cc3ncc[nH]3)ccn2)CC1 ZINC000067699071 523923305 /nfs/dbraw/zinc/92/33/05/523923305.db2.gz XFLSAYPOTKZTDC-UHFFFAOYSA-N 2 2 286.383 0.846 20 0 CCADLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ncc[nH]3)cn2)CC1 ZINC000067698579 523926268 /nfs/dbraw/zinc/92/62/68/523926268.db2.gz KNYCYBRADBZQEF-UHFFFAOYSA-N 2 2 286.383 0.846 20 0 CCADLP Cc1nc(N2CCN(C(=O)N[C@H](C)[C@H](C)[NH3+])CC2)cc[nH+]1 ZINC000418728289 534755049 /nfs/dbraw/zinc/75/50/49/534755049.db2.gz QEAHXOILTRKEFZ-WDEREUQCSA-N 2 2 292.387 0.352 20 0 CCADLP CN(CC[NH+](C)C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000356114638 524060232 /nfs/dbraw/zinc/06/02/32/524060232.db2.gz SOIIEBAZMQEROJ-UHFFFAOYSA-N 2 2 286.420 0.300 20 0 CCADLP CN(CC[NH+](C)C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000356114638 524060234 /nfs/dbraw/zinc/06/02/34/524060234.db2.gz SOIIEBAZMQEROJ-UHFFFAOYSA-N 2 2 286.420 0.300 20 0 CCADLP C[C@@H](C(=O)NCC(C)(C)[NH+]1CCOCC1)[C@H](C)[NH3+] ZINC000156746834 524171647 /nfs/dbraw/zinc/17/16/47/524171647.db2.gz DJECNKFRHVJEOC-MNOVXSKESA-N 2 2 257.378 0.197 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000263019690 524345910 /nfs/dbraw/zinc/34/59/10/524345910.db2.gz QSSYWSFCAZMWQA-IIAWOOMASA-N 2 2 296.459 0.646 20 0 CCADLP C[C@H]1C[N@H+](Cc2cc[nH]n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370702757 524615715 /nfs/dbraw/zinc/61/57/15/524615715.db2.gz RDQVNWQYQQRQSR-ZFWWWQNUSA-N 2 2 277.416 0.868 20 0 CCADLP C[C@H]1C[N@@H+](Cc2cc[nH]n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370702757 524615725 /nfs/dbraw/zinc/61/57/25/524615725.db2.gz RDQVNWQYQQRQSR-ZFWWWQNUSA-N 2 2 277.416 0.868 20 0 CCADLP C[N@@H+]1CCC[C@@H](NC(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000665702270 545103643 /nfs/dbraw/zinc/10/36/43/545103643.db2.gz RHORQCXPHVZDGH-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP C[N@H+]1CCC[C@@H](NC(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000665702270 545103644 /nfs/dbraw/zinc/10/36/44/545103644.db2.gz RHORQCXPHVZDGH-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CC1(C)CN(c2nc[nH+]c3c2OCCN3)CC[N@@H+]1CCO ZINC000665713622 545104507 /nfs/dbraw/zinc/10/45/07/545104507.db2.gz UYEFYZFLBSYACW-UHFFFAOYSA-N 2 2 293.371 0.174 20 0 CCADLP CC1(C)CN(c2nc[nH+]c3c2OCCN3)CC[N@H+]1CCO ZINC000665713622 545104508 /nfs/dbraw/zinc/10/45/08/545104508.db2.gz UYEFYZFLBSYACW-UHFFFAOYSA-N 2 2 293.371 0.174 20 0 CCADLP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1COCC[NH2+]1 ZINC000370763875 527046605 /nfs/dbraw/zinc/04/66/05/527046605.db2.gz QONSWJWEDGLJTN-WCQYABFASA-N 2 2 267.373 0.108 20 0 CCADLP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@H]1COCC[NH2+]1 ZINC000370763875 527046611 /nfs/dbraw/zinc/04/66/11/527046611.db2.gz QONSWJWEDGLJTN-WCQYABFASA-N 2 2 267.373 0.108 20 0 CCADLP O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@H]1CCC[NH2+]1 ZINC000666783849 545131225 /nfs/dbraw/zinc/13/12/25/545131225.db2.gz AYUIHDJYMCQWRL-LLVKDONJSA-N 2 2 273.336 0.624 20 0 CCADLP Fc1cccn2cc(C[NH2+]C[C@@H]3C[NH2+]CCCO3)nc12 ZINC000666965282 545135906 /nfs/dbraw/zinc/13/59/06/545135906.db2.gz IMGUMLXKPFRPSC-LBPRGKRZSA-N 2 2 278.331 0.942 20 0 CCADLP [NH3+]CC(F)(F)CNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000667148569 545139667 /nfs/dbraw/zinc/13/96/67/545139667.db2.gz CVCZMXCPECTPDT-UHFFFAOYSA-N 2 2 296.281 0.983 20 0 CCADLP NS(=O)(=O)C[C@H]1CCC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667617618 545151478 /nfs/dbraw/zinc/15/14/78/545151478.db2.gz XLOIQBSAFRZLNW-NSHDSACASA-N 2 2 298.412 0.330 20 0 CCADLP NS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667617618 545151479 /nfs/dbraw/zinc/15/14/79/545151479.db2.gz XLOIQBSAFRZLNW-NSHDSACASA-N 2 2 298.412 0.330 20 0 CCADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](C)C[C@H]2C(N)=O)n1C ZINC000668012506 545161309 /nfs/dbraw/zinc/16/13/09/545161309.db2.gz CYORVYHIZUMLOX-CABZTGNLSA-N 2 2 250.346 0.814 20 0 CCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](C)C[C@H]2C(N)=O)n1C ZINC000668012506 545161310 /nfs/dbraw/zinc/16/13/10/545161310.db2.gz CYORVYHIZUMLOX-CABZTGNLSA-N 2 2 250.346 0.814 20 0 CCADLP Cc1[nH+]cc(CN2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)n1C ZINC000668219901 545167962 /nfs/dbraw/zinc/16/79/62/545167962.db2.gz YAVKLHOPPPVXGQ-TXEJJXNPSA-N 2 2 266.389 0.615 20 0 CCADLP Cc1[nH+]cc(CN2C[C@H](C)[N@@H+](CCO)C[C@H]2C)n1C ZINC000668242138 545169460 /nfs/dbraw/zinc/16/94/60/545169460.db2.gz VOBYSEDOFMXQDU-NWDGAFQWSA-N 2 2 266.389 0.615 20 0 CCADLP Cc1[nH+]cc(CN2C[C@H](C)[N@H+](CCO)C[C@H]2C)n1C ZINC000668242138 545169461 /nfs/dbraw/zinc/16/94/61/545169461.db2.gz VOBYSEDOFMXQDU-NWDGAFQWSA-N 2 2 266.389 0.615 20 0 CCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)n1C ZINC000668454124 545178209 /nfs/dbraw/zinc/17/82/09/545178209.db2.gz YZDQUCOCWLPGCF-GFCCVEGCSA-N 2 2 260.345 0.842 20 0 CCADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)n1C ZINC000668454124 545178210 /nfs/dbraw/zinc/17/82/10/545178210.db2.gz YZDQUCOCWLPGCF-GFCCVEGCSA-N 2 2 260.345 0.842 20 0 CCADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CNc3ccnn3C2)C1 ZINC000668681401 545187048 /nfs/dbraw/zinc/18/70/48/545187048.db2.gz JZKFOJQTGPCOMV-CHWSQXEVSA-N 2 2 263.389 0.999 20 0 CCADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CNc3ccnn3C2)C1 ZINC000668681401 545187049 /nfs/dbraw/zinc/18/70/49/545187049.db2.gz JZKFOJQTGPCOMV-CHWSQXEVSA-N 2 2 263.389 0.999 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+][C@H]2CC(=O)N(C(C)C)C2)[C@@H](C)C1 ZINC000358161440 527993805 /nfs/dbraw/zinc/99/38/05/527993805.db2.gz UIXMGEIGPJVDPE-AVGNSLFASA-N 2 2 253.390 0.926 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+][C@H]2CC(=O)N(C(C)C)C2)[C@@H](C)C1 ZINC000358161440 527993806 /nfs/dbraw/zinc/99/38/06/527993806.db2.gz UIXMGEIGPJVDPE-AVGNSLFASA-N 2 2 253.390 0.926 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)NC/C=C\C[NH3+])cn2c1 ZINC000669401078 545206726 /nfs/dbraw/zinc/20/67/26/545206726.db2.gz BLSWDYVWLGTZJG-IHWYPQMZSA-N 2 2 273.340 0.957 20 0 CCADLP CC[NH+](CC)CC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449653399 528088289 /nfs/dbraw/zinc/08/82/89/528088289.db2.gz CCCPXNHENCYNSR-JTQLQIEISA-N 2 2 263.332 0.689 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCCC1=CC[NH2+]CC1 ZINC000669461640 545208744 /nfs/dbraw/zinc/20/87/44/545208744.db2.gz AIEQGTKYAGQIQB-ZDUSSCGKSA-N 2 2 296.415 0.316 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCCC1=CC[NH2+]CC1 ZINC000669461640 545208745 /nfs/dbraw/zinc/20/87/45/545208745.db2.gz AIEQGTKYAGQIQB-ZDUSSCGKSA-N 2 2 296.415 0.316 20 0 CCADLP CC(C)OC[C@@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000669680618 545218814 /nfs/dbraw/zinc/21/88/14/545218814.db2.gz KEUWFXOTCMPRMG-GFCCVEGCSA-N 2 2 257.378 0.164 20 0 CCADLP CC(C)[C@@H](C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)[C@@H](C)[NH3+] ZINC000423456264 528353348 /nfs/dbraw/zinc/35/33/48/528353348.db2.gz NQZKSSHABQNCPA-TZMCWYRMSA-N 2 2 293.415 0.673 20 0 CCADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000669931588 545223850 /nfs/dbraw/zinc/22/38/50/545223850.db2.gz HWFUKHHPSHQCRR-OAHLLOKOSA-N 3 2 296.459 0.613 20 0 CCADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000669931588 545223851 /nfs/dbraw/zinc/22/38/51/545223851.db2.gz HWFUKHHPSHQCRR-OAHLLOKOSA-N 3 2 296.459 0.613 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000423605589 528418948 /nfs/dbraw/zinc/41/89/48/528418948.db2.gz KELFJQYNUIGZJC-OCCSQVGLSA-N 2 2 283.416 0.602 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000423605589 528418951 /nfs/dbraw/zinc/41/89/51/528418951.db2.gz KELFJQYNUIGZJC-OCCSQVGLSA-N 2 2 283.416 0.602 20 0 CCADLP CCC[NH2+]CCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000417927358 528505639 /nfs/dbraw/zinc/50/56/39/528505639.db2.gz PWZVSEULNIODRH-ZDUSSCGKSA-N 2 2 291.399 0.959 20 0 CCADLP CC[N@H+](CCO)CCNCc1c[nH+]cn1C(C)C ZINC000424161097 528551063 /nfs/dbraw/zinc/55/10/63/528551063.db2.gz BIJRPCXBYIGZHM-UHFFFAOYSA-N 2 2 254.378 0.868 20 0 CCADLP CC[N@@H+](CCO)CCNCc1c[nH+]cn1C(C)C ZINC000424161097 528551068 /nfs/dbraw/zinc/55/10/68/528551068.db2.gz BIJRPCXBYIGZHM-UHFFFAOYSA-N 2 2 254.378 0.868 20 0 CCADLP CC[N@H+](CCO)CC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000449251114 528551630 /nfs/dbraw/zinc/55/16/30/528551630.db2.gz QVCFAIQEIFGCRW-ZDUSSCGKSA-N 2 2 256.390 0.992 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000449251114 528551633 /nfs/dbraw/zinc/55/16/33/528551633.db2.gz QVCFAIQEIFGCRW-ZDUSSCGKSA-N 2 2 256.390 0.992 20 0 CCADLP O=C(C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)NC1CC1 ZINC000670986920 545241309 /nfs/dbraw/zinc/24/13/09/545241309.db2.gz ZIEBSKIYWCBHHL-AWEZNQCLSA-N 2 2 281.400 0.452 20 0 CCADLP O=C(C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)NC1CC1 ZINC000670986920 545241310 /nfs/dbraw/zinc/24/13/10/545241310.db2.gz ZIEBSKIYWCBHHL-AWEZNQCLSA-N 2 2 281.400 0.452 20 0 CCADLP CC(C)n1c[nH+]cc1CN1CC[N@H+](CCO)C[C@@H]1C ZINC000425370948 528620463 /nfs/dbraw/zinc/62/04/63/528620463.db2.gz PEEVWQZSZCLNSF-ZDUSSCGKSA-N 2 2 266.389 0.962 20 0 CCADLP CC(C)n1c[nH+]cc1CN1CC[N@@H+](CCO)C[C@@H]1C ZINC000425370948 528620470 /nfs/dbraw/zinc/62/04/70/528620470.db2.gz PEEVWQZSZCLNSF-ZDUSSCGKSA-N 2 2 266.389 0.962 20 0 CCADLP CCOC(=O)C[N@@H+]1CCCN(C(=O)CCC[NH2+]C)CC1 ZINC000423736304 528807489 /nfs/dbraw/zinc/80/74/89/528807489.db2.gz YJJSZBMEGKIFDJ-UHFFFAOYSA-N 2 2 285.388 0.083 20 0 CCADLP CCOC(=O)C[N@H+]1CCCN(C(=O)CCC[NH2+]C)CC1 ZINC000423736304 528807492 /nfs/dbraw/zinc/80/74/92/528807492.db2.gz YJJSZBMEGKIFDJ-UHFFFAOYSA-N 2 2 285.388 0.083 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000671744063 545259281 /nfs/dbraw/zinc/25/92/81/545259281.db2.gz WVFOWQIUEJZDRX-KFWWJZLASA-N 3 2 294.443 0.223 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000671744063 545259282 /nfs/dbraw/zinc/25/92/82/545259282.db2.gz WVFOWQIUEJZDRX-KFWWJZLASA-N 3 2 294.443 0.223 20 0 CCADLP CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449658802 528969529 /nfs/dbraw/zinc/96/95/29/528969529.db2.gz UMTPQUXSEXAPSP-UWVGGRQHSA-N 2 2 263.332 0.865 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000672992591 545277107 /nfs/dbraw/zinc/27/71/07/545277107.db2.gz RNTFVHHQYWAEPE-GFCCVEGCSA-N 2 2 278.356 0.275 20 0 CCADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)COCC(=O)OC)C1 ZINC000449087870 529058221 /nfs/dbraw/zinc/05/82/21/529058221.db2.gz ADNRTZZQWGNECK-VXGBXAGGSA-N 2 2 258.362 0.638 20 0 CCADLP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)COCC(=O)OC)C1 ZINC000449087870 529058223 /nfs/dbraw/zinc/05/82/23/529058223.db2.gz ADNRTZZQWGNECK-VXGBXAGGSA-N 2 2 258.362 0.638 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)CC1 ZINC000673668692 545290726 /nfs/dbraw/zinc/29/07/26/545290726.db2.gz GALCDIPGHNPCNZ-ZDUSSCGKSA-N 3 2 291.399 0.168 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C2)CC1 ZINC000673668692 545290727 /nfs/dbraw/zinc/29/07/27/545290727.db2.gz GALCDIPGHNPCNZ-ZDUSSCGKSA-N 3 2 291.399 0.168 20 0 CCADLP CC[C@@H](C(=O)NCCn1cc[nH+]c1)[N@@H+]1CCO[C@H](CC)C1 ZINC000448695644 529283779 /nfs/dbraw/zinc/28/37/79/529283779.db2.gz ZGFZSOLDHZIODK-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP CC[C@@H](C(=O)NCCn1cc[nH+]c1)[N@H+]1CCO[C@H](CC)C1 ZINC000448695644 529283782 /nfs/dbraw/zinc/28/37/82/529283782.db2.gz ZGFZSOLDHZIODK-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)C[NH+]2CCC(C)CC2)CCO1 ZINC000428051901 529291544 /nfs/dbraw/zinc/29/15/44/529291544.db2.gz GDWYCYKEUFDKTI-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)C[NH+]2CCC(C)CC2)CCO1 ZINC000428051901 529291545 /nfs/dbraw/zinc/29/15/45/529291545.db2.gz GDWYCYKEUFDKTI-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000674119824 545300086 /nfs/dbraw/zinc/30/00/86/545300086.db2.gz XPMVIRQBCXHWHJ-NWDGAFQWSA-N 2 2 250.346 0.872 20 0 CCADLP C[C@@H](C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000674244950 545301175 /nfs/dbraw/zinc/30/11/75/545301175.db2.gz UFAAEFGGFRCBOI-XQQFMLRXSA-N 2 2 285.432 0.941 20 0 CCADLP C[C@@H](C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000674244950 545301176 /nfs/dbraw/zinc/30/11/76/545301176.db2.gz UFAAEFGGFRCBOI-XQQFMLRXSA-N 2 2 285.432 0.941 20 0 CCADLP CC1(C)NC(=O)N(CCC[N@@H+]2CCC[C@H]([NH3+])C2)C1=O ZINC000346080339 534978960 /nfs/dbraw/zinc/97/89/60/534978960.db2.gz CTMACTGTIUSNBY-JTQLQIEISA-N 2 2 268.361 0.130 20 0 CCADLP CC1(C)NC(=O)N(CCC[N@H+]2CCC[C@H]([NH3+])C2)C1=O ZINC000346080339 534978962 /nfs/dbraw/zinc/97/89/62/534978962.db2.gz CTMACTGTIUSNBY-JTQLQIEISA-N 2 2 268.361 0.130 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[NH+](C)C ZINC000674265878 545302224 /nfs/dbraw/zinc/30/22/24/545302224.db2.gz JRQWZXUMXKOCQV-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000359265832 535247137 /nfs/dbraw/zinc/24/71/37/535247137.db2.gz RWELKUCOXBPAHI-UHFFFAOYSA-N 2 2 293.415 0.406 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000359265832 535247142 /nfs/dbraw/zinc/24/71/42/535247142.db2.gz RWELKUCOXBPAHI-UHFFFAOYSA-N 2 2 293.415 0.406 20 0 CCADLP C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[NH+](C)C ZINC000675663957 545330241 /nfs/dbraw/zinc/33/02/41/545330241.db2.gz WQTGQRLNRFEGMV-BFHYXJOUSA-N 2 2 283.416 0.696 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000675782833 545331300 /nfs/dbraw/zinc/33/13/00/545331300.db2.gz ZFAJMVAEPCWQQK-KGLIPLIRSA-N 3 2 282.432 0.080 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000675782833 545331301 /nfs/dbraw/zinc/33/13/01/545331301.db2.gz ZFAJMVAEPCWQQK-KGLIPLIRSA-N 3 2 282.432 0.080 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+]CC(=O)N2CCN(C)CC2)[C@H](C)C1 ZINC000675782833 545331302 /nfs/dbraw/zinc/33/13/02/545331302.db2.gz ZFAJMVAEPCWQQK-KGLIPLIRSA-N 2 2 282.432 0.080 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+]CC(=O)N2CCN(C)CC2)[C@H](C)C1 ZINC000675782833 545331303 /nfs/dbraw/zinc/33/13/03/545331303.db2.gz ZFAJMVAEPCWQQK-KGLIPLIRSA-N 2 2 282.432 0.080 20 0 CCADLP CC[C@@H](C(=O)N[C@H](C)C[NH+]1CCOCC1)[NH+](CC)CC ZINC000345789619 535425251 /nfs/dbraw/zinc/42/52/51/535425251.db2.gz DOCUYYSDJLWKSH-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP COCC[N@@H+]1CCC[C@@H](Nc2nc(C)[nH+]c(N(C)C)n2)C1 ZINC000676081292 545334802 /nfs/dbraw/zinc/33/48/02/545334802.db2.gz VWMRPVMVVKYEOY-GFCCVEGCSA-N 2 2 294.403 0.769 20 0 CCADLP COCC[N@H+]1CCC[C@@H](Nc2nc(C)[nH+]c(N(C)C)n2)C1 ZINC000676081292 545334803 /nfs/dbraw/zinc/33/48/03/545334803.db2.gz VWMRPVMVVKYEOY-GFCCVEGCSA-N 2 2 294.403 0.769 20 0 CCADLP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@H]1C[N@H+](C)CCO1 ZINC000676286900 545339923 /nfs/dbraw/zinc/33/99/23/545339923.db2.gz JHAKOJWQKOEOFR-VXGBXAGGSA-N 2 2 266.345 0.109 20 0 CCADLP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676286900 545339924 /nfs/dbraw/zinc/33/99/24/545339924.db2.gz JHAKOJWQKOEOFR-VXGBXAGGSA-N 2 2 266.345 0.109 20 0 CCADLP C[C@H](NC(=O)CCCn1cc[nH+]c1)[C@H]1C[N@H+](C)CCO1 ZINC000676291161 545340226 /nfs/dbraw/zinc/34/02/26/545340226.db2.gz ZUKXUBAIGMILED-QWHCGFSZSA-N 2 2 280.372 0.499 20 0 CCADLP C[C@H](NC(=O)CCCn1cc[nH+]c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676291161 545340227 /nfs/dbraw/zinc/34/02/27/545340227.db2.gz ZUKXUBAIGMILED-QWHCGFSZSA-N 2 2 280.372 0.499 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000676349155 545342190 /nfs/dbraw/zinc/34/21/90/545342190.db2.gz UTWWILGHWGPPOE-NEPJUHHUSA-N 2 2 257.378 0.164 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000676349155 545342191 /nfs/dbraw/zinc/34/21/91/545342191.db2.gz UTWWILGHWGPPOE-NEPJUHHUSA-N 2 2 257.378 0.164 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000676349155 545342192 /nfs/dbraw/zinc/34/21/92/545342192.db2.gz UTWWILGHWGPPOE-NEPJUHHUSA-N 2 2 257.378 0.164 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676349155 545342193 /nfs/dbraw/zinc/34/21/93/545342193.db2.gz UTWWILGHWGPPOE-NEPJUHHUSA-N 2 2 257.378 0.164 20 0 CCADLP CCC[C@H](C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)[NH+](C)C ZINC000343393823 535577977 /nfs/dbraw/zinc/57/79/77/535577977.db2.gz GFFSNSXMNAERKF-CYBMUJFWSA-N 2 2 293.415 0.784 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000357085095 535638865 /nfs/dbraw/zinc/63/88/65/535638865.db2.gz QIQPPLCRHHHQJU-KKUMJFAQSA-N 3 2 294.443 0.080 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000357085095 535638870 /nfs/dbraw/zinc/63/88/70/535638870.db2.gz QIQPPLCRHHHQJU-KKUMJFAQSA-N 3 2 294.443 0.080 20 0 CCADLP CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000676698390 545349249 /nfs/dbraw/zinc/34/92/49/545349249.db2.gz VXMLBRGSYJIIRV-CHWSQXEVSA-N 2 2 292.383 0.282 20 0 CCADLP CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000676698390 545349250 /nfs/dbraw/zinc/34/92/50/545349250.db2.gz VXMLBRGSYJIIRV-CHWSQXEVSA-N 2 2 292.383 0.282 20 0 CCADLP CC[N@H+](CC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)C1CC1 ZINC000676843385 545353549 /nfs/dbraw/zinc/35/35/49/545353549.db2.gz YOROAZRNSJHLMH-UHFFFAOYSA-N 2 2 291.399 0.538 20 0 CCADLP CC[N@@H+](CC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)C1CC1 ZINC000676843385 545353550 /nfs/dbraw/zinc/35/35/50/545353550.db2.gz YOROAZRNSJHLMH-UHFFFAOYSA-N 2 2 291.399 0.538 20 0 CCADLP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000676844056 545353762 /nfs/dbraw/zinc/35/37/62/545353762.db2.gz KYVQRFZXBKLACL-CHWSQXEVSA-N 2 2 276.384 0.904 20 0 CCADLP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000676844056 545353763 /nfs/dbraw/zinc/35/37/63/545353763.db2.gz KYVQRFZXBKLACL-CHWSQXEVSA-N 2 2 276.384 0.904 20 0 CCADLP C[C@@H](NC(=O)NCC[NH+]1CCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000677011870 545356700 /nfs/dbraw/zinc/35/67/00/545356700.db2.gz DLWCZUUGIACACE-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP COCCNC(=O)C1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000677983004 545380125 /nfs/dbraw/zinc/38/01/25/545380125.db2.gz QTXKRYNIAAINQZ-UHFFFAOYSA-N 2 2 280.372 0.358 20 0 CCADLP CC[C@H]1CN(C(=O)[C@@H](C)[NH+]2CC(C)C2)CC[N@@H+]1CCOC ZINC000514738303 536125613 /nfs/dbraw/zinc/12/56/13/536125613.db2.gz OIWFFPMGHSHRFY-CABCVRRESA-N 2 2 297.443 0.896 20 0 CCADLP CC[C@H]1CN(C(=O)[C@@H](C)[NH+]2CC(C)C2)CC[N@H+]1CCOC ZINC000514738303 536125617 /nfs/dbraw/zinc/12/56/17/536125617.db2.gz OIWFFPMGHSHRFY-CABCVRRESA-N 2 2 297.443 0.896 20 0 CCADLP CN1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC1=O ZINC000678269151 545388053 /nfs/dbraw/zinc/38/80/53/545388053.db2.gz PSTSCZYEHGXBKT-UHFFFAOYSA-N 2 2 291.395 0.901 20 0 CCADLP CN1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC1=O ZINC000678269151 545388054 /nfs/dbraw/zinc/38/80/54/545388054.db2.gz 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O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000743857175 581828027 /nfs/dbraw/zinc/82/80/27/581828027.db2.gz OILUNLYEHUAUQJ-CVEARBPZSA-N 2 2 297.443 0.240 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000743857175 581828031 /nfs/dbraw/zinc/82/80/31/581828031.db2.gz OILUNLYEHUAUQJ-CVEARBPZSA-N 2 2 297.443 0.240 20 0 CCADLP O[C@H](CN1CCC[C@@H]1C[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000743857175 581828036 /nfs/dbraw/zinc/82/80/36/581828036.db2.gz OILUNLYEHUAUQJ-CVEARBPZSA-N 2 2 297.443 0.240 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000744611331 581846117 /nfs/dbraw/zinc/84/61/17/581846117.db2.gz YRKFEVDVDIHYSQ-GFCCVEGCSA-N 2 2 298.456 0.964 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000744611331 581846119 /nfs/dbraw/zinc/84/61/19/581846119.db2.gz YRKFEVDVDIHYSQ-GFCCVEGCSA-N 2 2 298.456 0.964 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CN1CCOC1=S ZINC000746654087 581921804 /nfs/dbraw/zinc/92/18/04/581921804.db2.gz XZQQCESNZCFNEV-AGIUHOORSA-N 2 2 299.440 0.745 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CN1CCOC1=S ZINC000746654087 581921805 /nfs/dbraw/zinc/92/18/05/581921805.db2.gz XZQQCESNZCFNEV-AGIUHOORSA-N 2 2 299.440 0.745 20 0 CCADLP C[C@@H]1C[NH+]=C(N2CC[NH+](CCC(=O)N(C)C)CC2)S1 ZINC000750829821 582060399 /nfs/dbraw/zinc/06/03/99/582060399.db2.gz MKYCFSJTSPYTGT-LLVKDONJSA-N 2 2 284.429 0.574 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)CC[NH+]1CCOCC1)c1ccco1 ZINC000750863283 582061934 /nfs/dbraw/zinc/06/19/34/582061934.db2.gz ZZVDCYFNKAJVAI-ZDUSSCGKSA-N 2 2 295.383 0.721 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)NCC[NH+]1CCC1 ZINC000752296632 582103380 /nfs/dbraw/zinc/10/33/80/582103380.db2.gz VNQGXENWFQSAIL-UHFFFAOYSA-N 2 2 250.346 0.794 20 0 CCADLP C[NH+](C)CCNC(=S)NCCCn1cc[nH+]c1 ZINC000916116028 615903583 /nfs/dbraw/zinc/90/35/83/615903583.db2.gz VUFCFTRDBOZLDP-UHFFFAOYSA-N 2 2 255.391 0.299 20 0 CCADLP COCCN(C)C(=[NH2+])NCC[NH+]1CCSCC1 ZINC000871603837 616945751 /nfs/dbraw/zinc/94/57/51/616945751.db2.gz JSQJINBMWJUGOX-UHFFFAOYSA-N 2 2 260.407 0.138 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@H+](Cc3cccnc3)C[C@H]21 ZINC000963002801 649907643 /nfs/dbraw/zinc/90/76/43/649907643.db2.gz GQYBQROPUNWDSY-FOLVSLTJSA-N 2 2 297.362 0.525 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]21 ZINC000963002801 649907646 /nfs/dbraw/zinc/90/76/46/649907646.db2.gz GQYBQROPUNWDSY-FOLVSLTJSA-N 2 2 297.362 0.525 20 0 CCADLP CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925770461 617183152 /nfs/dbraw/zinc/18/31/52/617183152.db2.gz UHHDFNWABPJXLI-SRVKXCTJSA-N 2 2 272.414 0.826 20 0 CCADLP CC(C)[C@@H](O)CC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000878802695 614145171 /nfs/dbraw/zinc/14/51/71/614145171.db2.gz NQESNPNJPFASDQ-ZDUSSCGKSA-N 2 2 271.405 0.099 20 0 CCADLP CC(C)[C@@H](O)CC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000878802695 614145174 /nfs/dbraw/zinc/14/51/74/614145174.db2.gz NQESNPNJPFASDQ-ZDUSSCGKSA-N 2 2 271.405 0.099 20 0 CCADLP CC(C)[C@H](CNC(=[NH2+])NCC(F)F)[NH+]1CCOCC1 ZINC000887347367 614208438 /nfs/dbraw/zinc/20/84/38/614208438.db2.gz SGGJPGZENRFSSB-JTQLQIEISA-N 2 2 278.347 0.722 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000452222785 614252165 /nfs/dbraw/zinc/25/21/65/614252165.db2.gz LPNHKHXWFRCVJI-OLZOCXBDSA-N 2 2 269.389 0.258 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N(C)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000452222785 614252166 /nfs/dbraw/zinc/25/21/66/614252166.db2.gz LPNHKHXWFRCVJI-OLZOCXBDSA-N 2 2 269.389 0.258 20 0 CCADLP CC(C)[NH+](C)CC(=O)N(C)[C@@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000452222785 614252167 /nfs/dbraw/zinc/25/21/67/614252167.db2.gz LPNHKHXWFRCVJI-OLZOCXBDSA-N 2 2 269.389 0.258 20 0 CCADLP CCCC[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000906527823 614429509 /nfs/dbraw/zinc/42/95/09/614429509.db2.gz NULBTJIHFYEZRZ-ZDUSSCGKSA-N 2 2 269.389 0.309 20 0 CCADLP COc1ccc(C[NH2+]CCC[NH+](C)C)cc1-c1nn[nH]n1 ZINC000821813463 617257439 /nfs/dbraw/zinc/25/74/39/617257439.db2.gz HTCWXYGAXJNTLY-UHFFFAOYSA-N 2 2 290.371 0.917 20 0 CCADLP C/C=C\[C@@H](O)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000913664718 613208203 /nfs/dbraw/zinc/20/82/03/613208203.db2.gz OOOREMOJSDERQD-DHCBQETCSA-N 2 2 290.367 0.709 20 0 CCADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000876965410 613208670 /nfs/dbraw/zinc/20/86/70/613208670.db2.gz CXHVYPYMHQVLQB-RIMBHEBDSA-N 2 2 293.411 0.331 20 0 CCADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000876730146 613210035 /nfs/dbraw/zinc/21/00/35/613210035.db2.gz DLPFXQMSCFQIMU-LBRDAYAISA-N 2 2 262.357 0.800 20 0 CCADLP C([NH2+][C@@H]1C[NH2+]CCOC1)[C@H]1CCC12CCOCC2 ZINC000925732927 613228786 /nfs/dbraw/zinc/22/87/86/613228786.db2.gz HFJKAKJKSRPEMT-CHWSQXEVSA-N 2 2 254.374 0.771 20 0 CCADLP C([NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)[C@@H]1C[NH2+]CCO1 ZINC000841100549 613230022 /nfs/dbraw/zinc/23/00/22/613230022.db2.gz HJINVSOARPPYSZ-WHOHXGKFSA-N 2 2 274.455 0.944 20 0 CCADLP C([NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)[C@@H]1C[NH2+]CCO1 ZINC000841100546 613230060 /nfs/dbraw/zinc/23/00/60/613230060.db2.gz HJINVSOARPPYSZ-IRCOFANPSA-N 2 2 274.455 0.944 20 0 CCADLP C(COC1CCOCC1)[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000925877820 613230645 /nfs/dbraw/zinc/23/06/45/613230645.db2.gz MHFQDWYJDDUXDO-LSDHHAIUSA-N 2 2 284.400 0.539 20 0 CCADLP C(CO[C@H]1CCOC1)[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000925873525 613230696 /nfs/dbraw/zinc/23/06/96/613230696.db2.gz AWXDPSGVTAGDLY-MELADBBJSA-N 2 2 270.373 0.149 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC[C@H]([NH2+][C@H]2CCSC2)C1 ZINC000883369007 613233411 /nfs/dbraw/zinc/23/34/11/613233411.db2.gz HJISQCVVVUPNLM-GJZGRUSLSA-N 2 2 299.484 0.878 20 0 CCADLP C/C(=C/C(=O)NCC[N@H+]1CC[C@H](C)C1)C[NH+]1CCOCC1 ZINC000900911814 613236550 /nfs/dbraw/zinc/23/65/50/613236550.db2.gz CMWAXCQZDBIKOO-XFNCEPBJSA-N 2 2 295.427 0.723 20 0 CCADLP C/C(=C/C(=O)NCC[N@@H+]1CC[C@H](C)C1)C[NH+]1CCOCC1 ZINC000900911814 613236552 /nfs/dbraw/zinc/23/65/52/613236552.db2.gz CMWAXCQZDBIKOO-XFNCEPBJSA-N 2 2 295.427 0.723 20 0 CCADLP C/C(=C\C(=O)NCC[N@@H+](C)C(C)C)C[NH+]1CCOCC1 ZINC000900700938 613255568 /nfs/dbraw/zinc/25/55/68/613255568.db2.gz TUHQRRRGKFHBOX-SDNWHVSQSA-N 2 2 283.416 0.721 20 0 CCADLP C/C(=C\C(=O)NCC[N@H+](C)C(C)C)C[NH+]1CCOCC1 ZINC000900700938 613255570 /nfs/dbraw/zinc/25/55/70/613255570.db2.gz TUHQRRRGKFHBOX-SDNWHVSQSA-N 2 2 283.416 0.721 20 0 CCADLP CC(C)NC(=O)[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903464437 613933591 /nfs/dbraw/zinc/93/35/91/613933591.db2.gz NRLQCHCQQILTGK-CHWSQXEVSA-N 2 2 253.390 0.975 20 0 CCADLP CC(C)NC(=O)[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903464437 613933594 /nfs/dbraw/zinc/93/35/94/613933594.db2.gz NRLQCHCQQILTGK-CHWSQXEVSA-N 2 2 253.390 0.975 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000908758439 613941745 /nfs/dbraw/zinc/94/17/45/613941745.db2.gz KNRBTCSLUUNKMZ-JQWIXIFHSA-N 2 2 262.357 0.797 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000908758439 613941748 /nfs/dbraw/zinc/94/17/48/613941748.db2.gz KNRBTCSLUUNKMZ-JQWIXIFHSA-N 2 2 262.357 0.797 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C[C@H](O)CC(C)(C)O)C1 ZINC000871977901 614098293 /nfs/dbraw/zinc/09/82/93/614098293.db2.gz GEHONCQEGSBSNS-KGLIPLIRSA-N 2 2 288.432 0.455 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C[C@H](O)CC(C)(C)O)C1 ZINC000871977901 614098296 /nfs/dbraw/zinc/09/82/96/614098296.db2.gz GEHONCQEGSBSNS-KGLIPLIRSA-N 2 2 288.432 0.455 20 0 CCADLP CC(C)CNC(=[NH2+])NCC1([NH+]2CCOCC2)CCOCC1 ZINC000849040018 614134456 /nfs/dbraw/zinc/13/44/56/614134456.db2.gz FOHBIQNTOGBOII-UHFFFAOYSA-N 2 2 298.431 0.638 20 0 CCADLP CC(C)([NH3+])CCNC(=O)NCCCn1cc[nH+]c1 ZINC000887278489 614159711 /nfs/dbraw/zinc/15/97/11/614159711.db2.gz FDNPXDJNJZMPLV-UHFFFAOYSA-N 2 2 253.350 0.700 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)CNc2cccc[nH+]2)CC[NH2+]1 ZINC000912765999 614160777 /nfs/dbraw/zinc/16/07/77/614160777.db2.gz NWSKXJAOQVQVRE-LBPRGKRZSA-N 2 2 262.357 0.950 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@@H+]2CCCCCNC(=O)CC2)n1 ZINC000903829560 614163283 /nfs/dbraw/zinc/16/32/83/614163283.db2.gz HNASVIBXPLHPDO-UHFFFAOYSA-N 2 2 295.387 0.756 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@H+]2CCCCCNC(=O)CC2)n1 ZINC000903829560 614163286 /nfs/dbraw/zinc/16/32/86/614163286.db2.gz HNASVIBXPLHPDO-UHFFFAOYSA-N 2 2 295.387 0.756 20 0 CCADLP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000877665163 614191780 /nfs/dbraw/zinc/19/17/80/614191780.db2.gz JWTCOIMULHCRGA-OLZOCXBDSA-N 2 2 256.390 0.848 20 0 CCADLP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000877665163 614191781 /nfs/dbraw/zinc/19/17/81/614191781.db2.gz JWTCOIMULHCRGA-OLZOCXBDSA-N 2 2 256.390 0.848 20 0 CCADLP CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](C)[C@@H](C)C[NH3+])cc1 ZINC000923292047 614203367 /nfs/dbraw/zinc/20/33/67/614203367.db2.gz WOLRNVJWGFLWJB-SMDDNHRTSA-N 2 2 295.383 0.664 20 0 CCADLP CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](C)[C@@H](C)C[NH3+])cc1 ZINC000923292047 614203369 /nfs/dbraw/zinc/20/33/69/614203369.db2.gz WOLRNVJWGFLWJB-SMDDNHRTSA-N 2 2 295.383 0.664 20 0 CCADLP CC(C)(O)C[C@H](O)C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000872200793 614206314 /nfs/dbraw/zinc/20/63/14/614206314.db2.gz NZVUEPVPNHUGCT-OLZOCXBDSA-N 2 2 256.390 0.582 20 0 CCADLP CC(C)(O)C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000872200793 614206315 /nfs/dbraw/zinc/20/63/15/614206315.db2.gz NZVUEPVPNHUGCT-OLZOCXBDSA-N 2 2 256.390 0.582 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)NCCNc1cccc[nH+]1 ZINC000204997012 614217515 /nfs/dbraw/zinc/21/75/15/614217515.db2.gz MHLOEMFPVYXEMR-NSHDSACASA-N 2 2 250.346 0.983 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000911825549 614227945 /nfs/dbraw/zinc/22/79/45/614227945.db2.gz ISCSMXPKHUEBNU-ZYHUDNBSSA-N 2 2 250.346 0.545 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)N1CC[NH+](CCCO)CC1 ZINC000951108309 614325700 /nfs/dbraw/zinc/32/57/00/614325700.db2.gz OCYUBKQWJKXWDD-UHFFFAOYSA-N 2 2 294.399 0.533 20 0 CCADLP CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962295810 614412325 /nfs/dbraw/zinc/41/23/25/614412325.db2.gz VDXDJJYYQJJFBW-NHAGDIPZSA-N 2 2 276.384 0.809 20 0 CCADLP CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962295810 614412327 /nfs/dbraw/zinc/41/23/27/614412327.db2.gz VDXDJJYYQJJFBW-NHAGDIPZSA-N 2 2 276.384 0.809 20 0 CCADLP CCCCOC(=O)[C@@H](C)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000842480150 614441893 /nfs/dbraw/zinc/44/18/93/614441893.db2.gz CTPSCCLUZOLBQB-LLVKDONJSA-N 2 2 258.362 0.504 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000452223600 614514117 /nfs/dbraw/zinc/51/41/17/614514117.db2.gz OUAHLIFIVCEWET-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000452223600 614514120 /nfs/dbraw/zinc/51/41/20/614514120.db2.gz OUAHLIFIVCEWET-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000452223600 614514122 /nfs/dbraw/zinc/51/41/22/614514122.db2.gz OUAHLIFIVCEWET-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CC1(C)CN(C(=O)CNc2cccc[nH+]2)CC[N@@H+]1CCO ZINC000907599938 614587832 /nfs/dbraw/zinc/58/78/32/614587832.db2.gz NRIBVAKFIFRNOY-UHFFFAOYSA-N 2 2 292.383 0.409 20 0 CCADLP CC1(C)CN(C(=O)CNc2cccc[nH+]2)CC[N@H+]1CCO ZINC000907599938 614587837 /nfs/dbraw/zinc/58/78/37/614587837.db2.gz NRIBVAKFIFRNOY-UHFFFAOYSA-N 2 2 292.383 0.409 20 0 CCADLP CCCN1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)CC1=O ZINC000903457101 614647232 /nfs/dbraw/zinc/64/72/32/614647232.db2.gz NNLZLGDBJDUKBR-OLZOCXBDSA-N 2 2 253.390 0.786 20 0 CCADLP CCCN1CCC[N@@H+](C[C@@H]2C[NH2+]C[C@H]2C)CC1=O ZINC000903457101 614647234 /nfs/dbraw/zinc/64/72/34/614647234.db2.gz NNLZLGDBJDUKBR-OLZOCXBDSA-N 2 2 253.390 0.786 20 0 CCADLP CCC(=O)N1CC[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925557523 614661703 /nfs/dbraw/zinc/66/17/03/614661703.db2.gz CAHSEIRFXGZKLF-NEPJUHHUSA-N 2 2 251.374 0.872 20 0 CCADLP CCN(C(=O)[C@H]1CCCC[N@@H+]1CC)C1C[NH+](C[C@@H](C)O)C1 ZINC000957424360 614669346 /nfs/dbraw/zinc/66/93/46/614669346.db2.gz PPOGUFARAXOFLS-UKRRQHHQSA-N 2 2 297.443 0.774 20 0 CCADLP CCN(C(=O)[C@H]1CCCC[N@H+]1CC)C1C[NH+](C[C@@H](C)O)C1 ZINC000957424360 614669350 /nfs/dbraw/zinc/66/93/50/614669350.db2.gz PPOGUFARAXOFLS-UKRRQHHQSA-N 2 2 297.443 0.774 20 0 CCADLP CCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000949844666 614686729 /nfs/dbraw/zinc/68/67/29/614686729.db2.gz OQVSXUKFELNSED-AWEZNQCLSA-N 2 2 283.416 0.650 20 0 CCADLP CCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000949844666 614686731 /nfs/dbraw/zinc/68/67/31/614686731.db2.gz OQVSXUKFELNSED-AWEZNQCLSA-N 2 2 283.416 0.650 20 0 CCADLP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C1 ZINC000902393280 614701435 /nfs/dbraw/zinc/70/14/35/614701435.db2.gz OSCDUZHLZKQJKG-OLZOCXBDSA-N 3 2 255.406 0.733 20 0 CCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000925688778 614807342 /nfs/dbraw/zinc/80/73/42/614807342.db2.gz FNNMSWUDULUGKN-NSHDSACASA-N 2 2 274.430 0.931 20 0 CCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]CCN1CCOCC1(C)C ZINC000925475832 614808133 /nfs/dbraw/zinc/80/81/33/614808133.db2.gz FQVAXMHVSPBFCH-GFCCVEGCSA-N 2 2 255.406 0.827 20 0 CCADLP CCCNC(=O)C1CC[NH+](C[C@H]2CCC[NH2+]2)CC1 ZINC000903430185 614839817 /nfs/dbraw/zinc/83/98/17/614839817.db2.gz QGCYDSQQPZOZOE-CYBMUJFWSA-N 2 2 253.390 0.977 20 0 CCADLP CCCNC(=O)C[NH+]1CCC(N[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925543645 614851113 /nfs/dbraw/zinc/85/11/13/614851113.db2.gz NJCVKKZJTHDWIH-UKRRQHHQSA-N 2 2 296.459 0.707 20 0 CCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000866193638 614865292 /nfs/dbraw/zinc/86/52/92/614865292.db2.gz OBXBEROXIDMNCE-CMPLNLGQSA-N 2 2 266.345 0.243 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000866193638 614865295 /nfs/dbraw/zinc/86/52/95/614865295.db2.gz OBXBEROXIDMNCE-CMPLNLGQSA-N 2 2 266.345 0.243 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000849329331 614868225 /nfs/dbraw/zinc/86/82/25/614868225.db2.gz FTFIFPGTVVRCOE-UTUOFQBUSA-N 2 2 278.343 0.703 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000849329331 614868226 /nfs/dbraw/zinc/86/82/26/614868226.db2.gz FTFIFPGTVVRCOE-UTUOFQBUSA-N 2 2 278.343 0.703 20 0 CCADLP CCC[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000970768266 614896266 /nfs/dbraw/zinc/89/62/66/614896266.db2.gz WMPLTOJLEIYJHH-CABCVRRESA-N 2 2 295.427 0.698 20 0 CCADLP CCN(CC)C(=O)C[NH+]1CCN(CCC[NH2+]C2CC2)CC1 ZINC000923319951 614967039 /nfs/dbraw/zinc/96/70/39/614967039.db2.gz QZXWOMDTSYRNSZ-UHFFFAOYSA-N 2 2 296.459 0.615 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@H]2CCC(=O)O2)CC1 ZINC000821367818 614988116 /nfs/dbraw/zinc/98/81/16/614988116.db2.gz GQZFDBPOHDSKBE-CYBMUJFWSA-N 2 2 297.399 0.178 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)NC(=O)CNc1cccc[nH+]1 ZINC000907935586 615000157 /nfs/dbraw/zinc/00/01/57/615000157.db2.gz UMLKDHIKZGTMFF-ZDUSSCGKSA-N 2 2 294.399 0.703 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923326830 615004926 /nfs/dbraw/zinc/00/49/26/615004926.db2.gz NRZUOAIXFIKMFQ-RFGFWPKPSA-N 3 2 255.406 0.501 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923326830 615004928 /nfs/dbraw/zinc/00/49/28/615004928.db2.gz NRZUOAIXFIKMFQ-RFGFWPKPSA-N 3 2 255.406 0.501 20 0 CCADLP CC[NH2+]CC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000844190344 615079947 /nfs/dbraw/zinc/07/99/47/615079947.db2.gz ISXDVJJQOWRNCE-UHFFFAOYSA-N 2 2 290.411 0.982 20 0 CCADLP CCN(C(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1C[NH+](CC)C1 ZINC000950381216 615081591 /nfs/dbraw/zinc/08/15/91/615081591.db2.gz MSNPUMYBHMENNZ-OCCSQVGLSA-N 2 2 281.400 0.402 20 0 CCADLP CCN(C(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1C[NH+](CC)C1 ZINC000950381216 615081593 /nfs/dbraw/zinc/08/15/93/615081593.db2.gz MSNPUMYBHMENNZ-OCCSQVGLSA-N 2 2 281.400 0.402 20 0 CCADLP CC[NH+]1CCC2(CC1)CN(C(=O)Cc1[nH]cc[nH+]1)CCO2 ZINC000949217501 615102182 /nfs/dbraw/zinc/10/21/82/615102182.db2.gz MSFOTMZGIVXSER-UHFFFAOYSA-N 2 2 292.383 0.666 20 0 CCADLP CC[N@@H+]1CCC[C@@H](CNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000865048410 615122983 /nfs/dbraw/zinc/12/29/83/615122983.db2.gz SHOAKIXGRHWNMC-DRDHIDPGSA-N 2 2 295.427 0.723 20 0 CCADLP CC[N@H+]1CCC[C@@H](CNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000865048410 615122985 /nfs/dbraw/zinc/12/29/85/615122985.db2.gz SHOAKIXGRHWNMC-DRDHIDPGSA-N 2 2 295.427 0.723 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864609879 615132338 /nfs/dbraw/zinc/13/23/38/615132338.db2.gz HMADKDURRCNJQH-KXQLTZBTSA-N 2 2 281.400 0.475 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000864609879 615132339 /nfs/dbraw/zinc/13/23/39/615132339.db2.gz HMADKDURRCNJQH-KXQLTZBTSA-N 2 2 281.400 0.475 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000900009487 615132345 /nfs/dbraw/zinc/13/23/45/615132345.db2.gz JHQJPLQKQWUBFU-ATGUSINASA-N 2 2 295.427 0.865 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000900009487 615132347 /nfs/dbraw/zinc/13/23/47/615132347.db2.gz JHQJPLQKQWUBFU-ATGUSINASA-N 2 2 295.427 0.865 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccnn2C)CC1 ZINC000879683983 615150957 /nfs/dbraw/zinc/15/09/57/615150957.db2.gz DCEQCNKAWOAZIO-QWHCGFSZSA-N 2 2 293.415 0.623 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000943176323 615213245 /nfs/dbraw/zinc/21/32/45/615213245.db2.gz JWVDPLLLOBTWPX-ZYHUDNBSSA-N 2 2 250.346 0.799 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000943176323 615213248 /nfs/dbraw/zinc/21/32/48/615213248.db2.gz JWVDPLLLOBTWPX-ZYHUDNBSSA-N 2 2 250.346 0.799 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579396 615214865 /nfs/dbraw/zinc/21/48/65/615214865.db2.gz KYOKEXINMKYKMF-AVGNSLFASA-N 2 2 270.373 0.327 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879579396 615214868 /nfs/dbraw/zinc/21/48/68/615214868.db2.gz KYOKEXINMKYKMF-AVGNSLFASA-N 2 2 270.373 0.327 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879579396 615214871 /nfs/dbraw/zinc/21/48/71/615214871.db2.gz KYOKEXINMKYKMF-AVGNSLFASA-N 2 2 270.373 0.327 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879579396 615214872 /nfs/dbraw/zinc/21/48/72/615214872.db2.gz KYOKEXINMKYKMF-AVGNSLFASA-N 2 2 270.373 0.327 20 0 CCADLP CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968702902 615266589 /nfs/dbraw/zinc/26/65/89/615266589.db2.gz QGKFZQZUVYPCRO-NWDGAFQWSA-N 2 2 250.346 0.730 20 0 CCADLP CC[N@H+]1CC[C@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968702902 615266591 /nfs/dbraw/zinc/26/65/91/615266591.db2.gz QGKFZQZUVYPCRO-NWDGAFQWSA-N 2 2 250.346 0.730 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000866423608 615328955 /nfs/dbraw/zinc/32/89/55/615328955.db2.gz XJKYCIOJTRCUAK-MDZLAQPJSA-N 2 2 278.356 0.528 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000866423608 615328957 /nfs/dbraw/zinc/32/89/57/615328957.db2.gz XJKYCIOJTRCUAK-MDZLAQPJSA-N 2 2 278.356 0.528 20 0 CCADLP CC[C@@H](C(=O)N[C@H](C[NH3+])C1CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911831645 615385328 /nfs/dbraw/zinc/38/53/28/615385328.db2.gz CFQDTGJMZYUEIV-MCIONIFRSA-N 2 2 283.416 0.729 20 0 CCADLP CC[C@@H](C(=O)N[C@H](C[NH3+])C1CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000911831645 615385330 /nfs/dbraw/zinc/38/53/30/615385330.db2.gz CFQDTGJMZYUEIV-MCIONIFRSA-N 2 2 283.416 0.729 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)C[C@@H]2CCC(=O)N2)C1 ZINC000925928967 615402024 /nfs/dbraw/zinc/40/20/24/615402024.db2.gz GUWVUGILNOXYKQ-ZDEQEGDKSA-N 2 2 253.390 0.973 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)C[C@@H]2CCC(=O)N2)C1 ZINC000925928967 615402027 /nfs/dbraw/zinc/40/20/27/615402027.db2.gz GUWVUGILNOXYKQ-ZDEQEGDKSA-N 2 2 253.390 0.973 20 0 CCADLP CCN1C[C@H](C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)OC1=O ZINC000846918467 615404329 /nfs/dbraw/zinc/40/43/29/615404329.db2.gz KDYAOLLCAQYDRI-GXTWGEPZSA-N 2 2 267.373 0.855 20 0 CCADLP CCN1C[C@H](C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)OC1=O ZINC000846918467 615404331 /nfs/dbraw/zinc/40/43/31/615404331.db2.gz KDYAOLLCAQYDRI-GXTWGEPZSA-N 2 2 267.373 0.855 20 0 CCADLP CCN1C[C@H](C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)OC1=O ZINC000846918467 615404333 /nfs/dbraw/zinc/40/43/33/615404333.db2.gz KDYAOLLCAQYDRI-GXTWGEPZSA-N 2 2 267.373 0.855 20 0 CCADLP CCN1C[C@H](C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)OC1=O ZINC000846918467 615404336 /nfs/dbraw/zinc/40/43/36/615404336.db2.gz KDYAOLLCAQYDRI-GXTWGEPZSA-N 2 2 267.373 0.855 20 0 CCADLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)CC(C)(C)O ZINC000872203692 615474498 /nfs/dbraw/zinc/47/44/98/615474498.db2.gz AVXCBVIMGRTZAS-QWHCGFSZSA-N 2 2 258.406 0.972 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)C1CC[NH+](C)CC1 ZINC000928635927 615476848 /nfs/dbraw/zinc/47/68/48/615476848.db2.gz PKBDUCIKBXPHRP-AWEZNQCLSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)C[NH+](CC)CC ZINC000928640264 615477131 /nfs/dbraw/zinc/47/71/31/615477131.db2.gz NROLGALIBYPENU-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP CCO[C@H](C[NH2+]C[C@@H]1[C@H](C(=O)OC)C1(F)F)C[NH+](C)C ZINC000896880775 615483867 /nfs/dbraw/zinc/48/38/67/615483867.db2.gz ZNYDXWZEURFVCG-GMTAPVOTSA-N 2 2 294.342 0.597 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000908442317 615562472 /nfs/dbraw/zinc/56/24/72/615562472.db2.gz DQONERSRVDLAHK-ZIAGYGMSSA-N 2 2 281.400 0.260 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000908442317 615562473 /nfs/dbraw/zinc/56/24/73/615562473.db2.gz DQONERSRVDLAHK-ZIAGYGMSSA-N 2 2 281.400 0.260 20 0 CCADLP CC[C@H](C(=O)N1CC[NH2+]C[C@@H]1C)[N@H+]1CCO[C@H](CC)C1 ZINC000911725536 615565034 /nfs/dbraw/zinc/56/50/34/615565034.db2.gz WGZHELBPDCFNMI-BFHYXJOUSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C[NH+]1CCC(C)CC1 ZINC000874703947 615567160 /nfs/dbraw/zinc/56/71/60/615567160.db2.gz DKIQAEVUDOXTDV-OAHLLOKOSA-N 2 2 297.443 0.945 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C[NH+]1CCC(C)CC1 ZINC000874703947 615567161 /nfs/dbraw/zinc/56/71/61/615567161.db2.gz DKIQAEVUDOXTDV-OAHLLOKOSA-N 2 2 297.443 0.945 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000877434009 615568356 /nfs/dbraw/zinc/56/83/56/615568356.db2.gz LWTDKFAKYHLHMW-IJEWVQPXSA-N 2 2 295.427 0.603 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000877434009 615568357 /nfs/dbraw/zinc/56/83/57/615568357.db2.gz LWTDKFAKYHLHMW-IJEWVQPXSA-N 2 2 295.427 0.603 20 0 CCADLP CC[C@H](C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC000615548152 615600827 /nfs/dbraw/zinc/60/08/27/615600827.db2.gz SRCIWFQXWPXFCK-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CCc1cc(=O)[nH]c(C[NH+]2CCC(O)(C[NH+](C)C)CC2)n1 ZINC000931482643 615659122 /nfs/dbraw/zinc/65/91/22/615659122.db2.gz KHUQLEXMZAIXLJ-UHFFFAOYSA-N 2 2 294.399 0.633 20 0 CCADLP CCn1nc(C)c([C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)n1 ZINC000924988430 615670453 /nfs/dbraw/zinc/67/04/53/615670453.db2.gz AYDKAEFILHVAGK-OLZOCXBDSA-N 2 2 294.447 0.893 20 0 CCADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905123783 615711399 /nfs/dbraw/zinc/71/13/99/615711399.db2.gz ZUKMNGXETFKYOH-ILXRZTDVSA-N 2 2 286.416 0.353 20 0 CCADLP C[NH+](C)C1(CNC(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000868896052 615846274 /nfs/dbraw/zinc/84/62/74/615846274.db2.gz GQRYNMPBCPPNBH-ARJAWSKDSA-N 2 2 267.373 0.085 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1C[C@@H]1C(F)F ZINC000855415327 615879234 /nfs/dbraw/zinc/87/92/34/615879234.db2.gz VGBGKWDJLMHHJU-QWRGUYRKSA-N 2 2 277.359 0.887 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1C[C@@H]1C(F)F ZINC000855415327 615879236 /nfs/dbraw/zinc/87/92/36/615879236.db2.gz VGBGKWDJLMHHJU-QWRGUYRKSA-N 2 2 277.359 0.887 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@](C)(O)C1CCC1 ZINC000855414678 615879358 /nfs/dbraw/zinc/87/93/58/615879358.db2.gz JIPKTYXDJJJZNB-HNNXBMFYSA-N 2 2 285.432 0.537 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@](C)(O)C1CCC1 ZINC000855414678 615879362 /nfs/dbraw/zinc/87/93/62/615879362.db2.gz JIPKTYXDJJJZNB-HNNXBMFYSA-N 2 2 285.432 0.537 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000824956684 615879500 /nfs/dbraw/zinc/87/95/00/615879500.db2.gz HRHQEZFASLNJQU-SEBNEYGDSA-N 2 2 295.427 0.410 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000824956684 615879502 /nfs/dbraw/zinc/87/95/02/615879502.db2.gz HRHQEZFASLNJQU-SEBNEYGDSA-N 2 2 295.427 0.410 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc(C[NH3+])c1 ZINC000852847933 615880179 /nfs/dbraw/zinc/88/01/79/615880179.db2.gz ZACRREDUVQRTIK-UHFFFAOYSA-N 3 2 292.427 0.759 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc(C[NH3+])c1 ZINC000852847933 615880180 /nfs/dbraw/zinc/88/01/80/615880180.db2.gz ZACRREDUVQRTIK-UHFFFAOYSA-N 3 2 292.427 0.759 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](CC[C@@H]2COC(C)(C)O2)CC1=O ZINC000852211125 615899802 /nfs/dbraw/zinc/89/98/02/615899802.db2.gz PMZBUWMPARHCIS-CYBMUJFWSA-N 2 2 299.415 0.234 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](CC[C@@H]2COC(C)(C)O2)CC1=O ZINC000852211125 615899803 /nfs/dbraw/zinc/89/98/03/615899803.db2.gz PMZBUWMPARHCIS-CYBMUJFWSA-N 2 2 299.415 0.234 20 0 CCADLP C[NH+](C)CCONC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000854945310 615908212 /nfs/dbraw/zinc/90/82/12/615908212.db2.gz FYVUVMXEYBZTJY-JTQLQIEISA-N 2 2 252.318 0.055 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)c2ccnn2CC[NH+](C)C)c1 ZINC000909856905 615921027 /nfs/dbraw/zinc/92/10/27/615921027.db2.gz PHSBXGMNFVLFEX-UHFFFAOYSA-N 2 2 290.371 0.151 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000877435146 615925791 /nfs/dbraw/zinc/92/57/91/615925791.db2.gz XVLANIYMCYBWIM-STQMWFEESA-N 2 2 269.389 0.341 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000877435146 615925793 /nfs/dbraw/zinc/92/57/93/615925793.db2.gz XVLANIYMCYBWIM-STQMWFEESA-N 2 2 269.389 0.341 20 0 CCADLP C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865161656 615945375 /nfs/dbraw/zinc/94/53/75/615945375.db2.gz OJUMFVWGZBLTMK-PWSUYJOCSA-N 2 2 266.345 0.386 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N2CC[C@@H]([NH2+]CCF)C2)no1 ZINC000969156830 615953123 /nfs/dbraw/zinc/95/31/23/615953123.db2.gz HKSSFMLSGLCDKA-SNVBAGLBSA-N 2 2 284.335 0.510 20 0 CCADLP CN(C)C(=O)N(C)[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000852653550 615978394 /nfs/dbraw/zinc/97/83/94/615978394.db2.gz WDMUPTAEADNTQX-KGLIPLIRSA-N 2 2 298.431 0.131 20 0 CCADLP CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000852653550 615978396 /nfs/dbraw/zinc/97/83/96/615978396.db2.gz WDMUPTAEADNTQX-KGLIPLIRSA-N 2 2 298.431 0.131 20 0 CCADLP C[NH+](C)[C@@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC000912599658 615986188 /nfs/dbraw/zinc/98/61/88/615986188.db2.gz JPNIQHUSVWUGBS-NWDGAFQWSA-N 2 2 262.357 0.872 20 0 CCADLP C[NH+](C)[C@@]1(C[NH2+]C[C@@H](O)C2(O)CCC2)CCSC1 ZINC000905146145 615987226 /nfs/dbraw/zinc/98/72/26/615987226.db2.gz GNJQAMSRPBNABS-VXGBXAGGSA-N 2 2 274.430 0.289 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)CNc1cccc[nH+]1)C1CC1 ZINC000900282647 615989934 /nfs/dbraw/zinc/98/99/34/615989934.db2.gz KKDCKMCMMAUIJD-GFCCVEGCSA-N 2 2 262.357 0.950 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@H]1CO)c1ccccc1 ZINC000934017414 615990006 /nfs/dbraw/zinc/99/00/06/615990006.db2.gz QSTOGLHIXNZTAZ-LSDHHAIUSA-N 2 2 291.395 0.472 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@H]1CO)c1ccccc1 ZINC000934017414 615990009 /nfs/dbraw/zinc/99/00/09/615990009.db2.gz QSTOGLHIXNZTAZ-LSDHHAIUSA-N 2 2 291.395 0.472 20 0 CCADLP CN(C)C(=O)O[C@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000878662716 615996522 /nfs/dbraw/zinc/99/65/22/615996522.db2.gz CTCYTOPLHVCMAM-LBPRGKRZSA-N 2 2 266.345 0.735 20 0 CCADLP CN(C)c1nccc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)n1 ZINC000925632600 616036954 /nfs/dbraw/zinc/03/69/54/616036954.db2.gz BHMXCGRDBAMBKM-RYUDHWBXSA-N 2 2 261.373 0.902 20 0 CCADLP CN(C(=O)C[NH+](C)C1CCC1)[C@@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000629995588 616042228 /nfs/dbraw/zinc/04/22/28/616042228.db2.gz BTTNTCJGBZZVAI-KGLIPLIRSA-N 2 2 281.400 0.402 20 0 CCADLP CN(C(=O)C[NH+](C)C1CCC1)[C@@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000629995588 616042229 /nfs/dbraw/zinc/04/22/29/616042229.db2.gz BTTNTCJGBZZVAI-KGLIPLIRSA-N 2 2 281.400 0.402 20 0 CCADLP CN(C(=O)C[N@H+](C)C1CCC1)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000629995588 616042230 /nfs/dbraw/zinc/04/22/30/616042230.db2.gz BTTNTCJGBZZVAI-KGLIPLIRSA-N 2 2 281.400 0.402 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+](C[C@H](O)CC(C)(C)O)CC1 ZINC000878109371 616075796 /nfs/dbraw/zinc/07/57/96/616075796.db2.gz PNVVKBCLFKYDBK-CQSZACIVSA-N 2 2 288.432 0.287 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+](C[C@H](O)CC(C)(C)O)CC1 ZINC000878109371 616075797 /nfs/dbraw/zinc/07/57/97/616075797.db2.gz PNVVKBCLFKYDBK-CQSZACIVSA-N 2 2 288.432 0.287 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876894411 616076531 /nfs/dbraw/zinc/07/65/31/616076531.db2.gz OPTVLSTVNXNVMS-VXGBXAGGSA-N 2 2 268.336 0.679 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H](O)C1(O)CCOCC1 ZINC000930126169 616076740 /nfs/dbraw/zinc/07/67/40/616076740.db2.gz QIZBZYYZOZHWOQ-ZDUSSCGKSA-N 2 2 283.372 0.107 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H](O)C1(O)CCOCC1 ZINC000930126169 616076741 /nfs/dbraw/zinc/07/67/41/616076741.db2.gz QIZBZYYZOZHWOQ-ZDUSSCGKSA-N 2 2 283.372 0.107 20 0 CCADLP C[N@H+](CCF)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972430034 616081052 /nfs/dbraw/zinc/08/10/52/616081052.db2.gz XZTYBDOPGCKCMU-NSHDSACASA-N 2 2 254.309 0.454 20 0 CCADLP C[N@@H+](CCF)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972430034 616081053 /nfs/dbraw/zinc/08/10/53/616081053.db2.gz XZTYBDOPGCKCMU-NSHDSACASA-N 2 2 254.309 0.454 20 0 CCADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1nnc2ccccn21 ZINC000844221256 616088566 /nfs/dbraw/zinc/08/85/66/616088566.db2.gz BHOOJJHURWZNMK-UHFFFAOYSA-N 2 2 274.372 0.066 20 0 CCADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1nnc2ccccn21 ZINC000844221256 616088568 /nfs/dbraw/zinc/08/85/68/616088568.db2.gz BHOOJJHURWZNMK-UHFFFAOYSA-N 2 2 274.372 0.066 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)CCCCCC[NH3+] ZINC000828415011 616089471 /nfs/dbraw/zinc/08/94/71/616089471.db2.gz JBAFBPNAHLKIKS-UHFFFAOYSA-N 2 2 271.405 0.686 20 0 CCADLP C[N@@H+](Cc1cscn1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923323270 616100357 /nfs/dbraw/zinc/10/03/57/616100357.db2.gz WWTUVVFDFHSAMA-LLVKDONJSA-N 2 2 253.371 0.953 20 0 CCADLP C[N@H+](Cc1cscn1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923323270 616100358 /nfs/dbraw/zinc/10/03/58/616100358.db2.gz WWTUVVFDFHSAMA-LLVKDONJSA-N 2 2 253.371 0.953 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1C[C@H](O)CC2(CCOCC2)C1)C1CC1 ZINC000880584763 616131606 /nfs/dbraw/zinc/13/16/06/616131606.db2.gz MGRJGBNNSCFGSW-HUUCEWRRSA-N 2 2 298.427 0.305 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1C[C@H](O)CC2(CCOCC2)C1)C1CC1 ZINC000880584763 616131607 /nfs/dbraw/zinc/13/16/07/616131607.db2.gz MGRJGBNNSCFGSW-HUUCEWRRSA-N 2 2 298.427 0.305 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1C[C@H](O)CC2(CCOCC2)C1)C1CC1 ZINC000880584763 616131608 /nfs/dbraw/zinc/13/16/08/616131608.db2.gz MGRJGBNNSCFGSW-HUUCEWRRSA-N 2 2 298.427 0.305 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1C[C@H](O)CC2(CCOCC2)C1)C1CC1 ZINC000880584763 616131609 /nfs/dbraw/zinc/13/16/09/616131609.db2.gz MGRJGBNNSCFGSW-HUUCEWRRSA-N 2 2 298.427 0.305 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@H]1COC2(CCCC2)O1)C1CC1 ZINC000819206187 616132102 /nfs/dbraw/zinc/13/21/02/616132102.db2.gz WSOYAJHAKBLBMO-KBPBESRZSA-N 2 2 284.400 0.717 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H]1COC2(CCCC2)O1)C1CC1 ZINC000819206187 616132103 /nfs/dbraw/zinc/13/21/03/616132103.db2.gz WSOYAJHAKBLBMO-KBPBESRZSA-N 2 2 284.400 0.717 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]C[C@@H](O)Cc1ccccc1F)C1CC1 ZINC000905475554 616149362 /nfs/dbraw/zinc/14/93/62/616149362.db2.gz VEDABJSCZBJQEE-LSDHHAIUSA-N 2 2 296.386 0.774 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H](O)Cc1ccccc1F)C1CC1 ZINC000905475554 616149363 /nfs/dbraw/zinc/14/93/63/616149363.db2.gz VEDABJSCZBJQEE-LSDHHAIUSA-N 2 2 296.386 0.774 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc2nonc2c1)C1CC1 ZINC000905667778 616149834 /nfs/dbraw/zinc/14/98/34/616149834.db2.gz DGLUOCGOODLJQH-GFCCVEGCSA-N 2 2 276.340 0.768 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc2nonc2c1)C1CC1 ZINC000905667778 616149836 /nfs/dbraw/zinc/14/98/36/616149836.db2.gz DGLUOCGOODLJQH-GFCCVEGCSA-N 2 2 276.340 0.768 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)COC3CC3)C2)CC1 ZINC000878823933 616172180 /nfs/dbraw/zinc/17/21/80/616172180.db2.gz MNIMKQVIICUSHB-LBPRGKRZSA-N 2 2 281.400 0.450 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)COC3CC3)C2)CC1 ZINC000878823933 616172182 /nfs/dbraw/zinc/17/21/82/616172182.db2.gz MNIMKQVIICUSHB-LBPRGKRZSA-N 2 2 281.400 0.450 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H](O)C3CC3)C2)CC1 ZINC000827414518 616172654 /nfs/dbraw/zinc/17/26/54/616172654.db2.gz WQOPGNSINFHXRC-JSGCOSHPSA-N 2 2 281.400 0.042 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H](O)C3CC3)C2)CC1 ZINC000827414518 616172655 /nfs/dbraw/zinc/17/26/55/616172655.db2.gz WQOPGNSINFHXRC-JSGCOSHPSA-N 2 2 281.400 0.042 20 0 CCADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000898896194 616180879 /nfs/dbraw/zinc/18/08/79/616180879.db2.gz SKUPCFFXJDZNIR-CHWSQXEVSA-N 2 2 294.399 0.834 20 0 CCADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000898896194 616180880 /nfs/dbraw/zinc/18/08/80/616180880.db2.gz SKUPCFFXJDZNIR-CHWSQXEVSA-N 2 2 294.399 0.834 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CC[S@](C)=O)CC1 ZINC000827905870 616181179 /nfs/dbraw/zinc/18/11/79/616181179.db2.gz BQNJRYMFALCMFE-KUHUBIRLSA-N 2 2 287.473 0.467 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CC[S@](C)=O)CC1 ZINC000827905870 616181180 /nfs/dbraw/zinc/18/11/80/616181180.db2.gz BQNJRYMFALCMFE-KUHUBIRLSA-N 2 2 287.473 0.467 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)CCn1cc[nH+]c1 ZINC000874835710 616199683 /nfs/dbraw/zinc/19/96/83/616199683.db2.gz AWJTZFJWLCUMAP-CHWSQXEVSA-N 2 2 262.357 0.968 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)CCn1cc[nH+]c1 ZINC000874835710 616199684 /nfs/dbraw/zinc/19/96/84/616199684.db2.gz AWJTZFJWLCUMAP-CHWSQXEVSA-N 2 2 262.357 0.968 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000868698170 616204325 /nfs/dbraw/zinc/20/43/25/616204325.db2.gz SVLDBHFIERKWJJ-GFCCVEGCSA-N 2 2 279.388 0.951 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000868698170 616204326 /nfs/dbraw/zinc/20/43/26/616204326.db2.gz SVLDBHFIERKWJJ-GFCCVEGCSA-N 2 2 279.388 0.951 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[Si](C)(C)C ZINC000879354669 616223316 /nfs/dbraw/zinc/22/33/16/616223316.db2.gz KSAXXJYAVBGJND-UHFFFAOYSA-N 2 2 257.454 0.570 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[Si](C)(C)C ZINC000879354669 616223317 /nfs/dbraw/zinc/22/33/17/616223317.db2.gz KSAXXJYAVBGJND-UHFFFAOYSA-N 2 2 257.454 0.570 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC000882935240 616223605 /nfs/dbraw/zinc/22/36/05/616223605.db2.gz KAQIJPYDZWAFEO-WDNDVIMCSA-N 2 2 265.401 0.929 20 0 CCADLP CN1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](C[NH3+])C1 ZINC000911879760 616230039 /nfs/dbraw/zinc/23/00/39/616230039.db2.gz PGSKYZTZKHIOMA-LLVKDONJSA-N 2 2 273.340 0.278 20 0 CCADLP CN(C)C(=O)c1cccc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000904349733 616245260 /nfs/dbraw/zinc/24/52/60/616245260.db2.gz ALNFEWNZYJKFBG-HNNXBMFYSA-N 2 2 290.411 0.463 20 0 CCADLP CN(C)C(=O)c1cccc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000904349733 616245261 /nfs/dbraw/zinc/24/52/61/616245261.db2.gz ALNFEWNZYJKFBG-HNNXBMFYSA-N 2 2 290.411 0.463 20 0 CCADLP C[N@@H+]1CCN(Cc2ccc(Cl)nc2)[C@H](C[NH3+])C1 ZINC000122724913 616245271 /nfs/dbraw/zinc/24/52/71/616245271.db2.gz BLZIOLIPAGLBAL-LLVKDONJSA-N 2 2 254.765 0.810 20 0 CCADLP C[N@H+]1CCN(Cc2ccc(Cl)nc2)[C@H](C[NH3+])C1 ZINC000122724913 616245272 /nfs/dbraw/zinc/24/52/72/616245272.db2.gz BLZIOLIPAGLBAL-LLVKDONJSA-N 2 2 254.765 0.810 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000928094747 616259621 /nfs/dbraw/zinc/25/96/21/616259621.db2.gz LUUDLWMDKPHNCZ-AGIUHOORSA-N 2 2 299.440 0.013 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000928094747 616259622 /nfs/dbraw/zinc/25/96/22/616259622.db2.gz LUUDLWMDKPHNCZ-AGIUHOORSA-N 2 2 299.440 0.013 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)C1 ZINC000928094747 616259623 /nfs/dbraw/zinc/25/96/23/616259623.db2.gz LUUDLWMDKPHNCZ-AGIUHOORSA-N 2 2 299.440 0.013 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)C1 ZINC000928094747 616259624 /nfs/dbraw/zinc/25/96/24/616259624.db2.gz LUUDLWMDKPHNCZ-AGIUHOORSA-N 2 2 299.440 0.013 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH+]3CCSC[C@H]23)C1 ZINC000928094754 616260128 /nfs/dbraw/zinc/26/01/28/616260128.db2.gz LUUDLWMDKPHNCZ-XQQFMLRXSA-N 2 2 299.440 0.013 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH+]3CCSC[C@H]23)C1 ZINC000928094754 616260129 /nfs/dbraw/zinc/26/01/29/616260129.db2.gz LUUDLWMDKPHNCZ-XQQFMLRXSA-N 2 2 299.440 0.013 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)C1 ZINC000928094754 616260130 /nfs/dbraw/zinc/26/01/30/616260130.db2.gz LUUDLWMDKPHNCZ-XQQFMLRXSA-N 2 2 299.440 0.013 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)C1 ZINC000928094754 616260131 /nfs/dbraw/zinc/26/01/31/616260131.db2.gz LUUDLWMDKPHNCZ-XQQFMLRXSA-N 2 2 299.440 0.013 20 0 CCADLP C[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000928557546 616301728 /nfs/dbraw/zinc/30/17/28/616301728.db2.gz ZEWGYSDUAJPEDT-CYBMUJFWSA-N 2 2 271.324 0.701 20 0 CCADLP C[N@H+]1CC[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000928557546 616301731 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616988035 /nfs/dbraw/zinc/98/80/35/616988035.db2.gz UVZLHLJPMKXPMK-ZYHUDNBSSA-N 2 2 254.334 0.138 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC000866723653 617000904 /nfs/dbraw/zinc/00/09/04/617000904.db2.gz IOJQXEBNVNCTMK-HNNXBMFYSA-N 2 2 285.432 0.537 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC000866723653 617000910 /nfs/dbraw/zinc/00/09/10/617000910.db2.gz IOJQXEBNVNCTMK-HNNXBMFYSA-N 2 2 285.432 0.537 20 0 CCADLP CON(C)C(=O)CC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000819143880 617019803 /nfs/dbraw/zinc/01/98/03/617019803.db2.gz PUUIZEXFFDBFMP-QWRGUYRKSA-N 2 2 255.362 0.611 20 0 CCADLP CON(C)C(=O)CC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000819143880 617019806 /nfs/dbraw/zinc/01/98/06/617019806.db2.gz PUUIZEXFFDBFMP-QWRGUYRKSA-N 2 2 255.362 0.611 20 0 CCADLP COCC[N@@H+](Cc1nnnn1C)CC1CC[NH+](C)CC1 ZINC000879125309 617030077 /nfs/dbraw/zinc/03/00/77/617030077.db2.gz XYLIUDNUFLJKFD-UHFFFAOYSA-N 2 2 282.392 0.000 20 0 CCADLP COCC[N@H+](Cc1nnnn1C)CC1CC[NH+](C)CC1 ZINC000879125309 617030082 /nfs/dbraw/zinc/03/00/82/617030082.db2.gz XYLIUDNUFLJKFD-UHFFFAOYSA-N 2 2 282.392 0.000 20 0 CCADLP CON(C)C(=O)[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000858588961 617053558 /nfs/dbraw/zinc/05/35/58/617053558.db2.gz WHFPSQXSQWTAMH-YPMHNXCESA-N 2 2 285.388 0.238 20 0 CCADLP COC[C@H](C)[N@@H+]1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000981070472 617059732 /nfs/dbraw/zinc/05/97/32/617059732.db2.gz SJLVYOZANPVTNI-ZDUSSCGKSA-N 2 2 294.399 0.912 20 0 CCADLP COC[C@H](C)[N@H+]1CCCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000981070472 617059738 /nfs/dbraw/zinc/05/97/38/617059738.db2.gz SJLVYOZANPVTNI-ZDUSSCGKSA-N 2 2 294.399 0.912 20 0 CCADLP COC[C@H](C)NC(=[NH2+])NCCCCn1cc[nH+]c1 ZINC000848995451 617074419 /nfs/dbraw/zinc/07/44/19/617074419.db2.gz KINRYIYSMWACRQ-NSHDSACASA-N 2 2 253.350 0.812 20 0 CCADLP CON1CC[C@@H]([N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C1=O ZINC000931684423 617093560 /nfs/dbraw/zinc/09/35/60/617093560.db2.gz RJGRBXUTWIASCB-GXTWGEPZSA-N 2 2 290.367 0.754 20 0 CCADLP CON1CC[C@@H]([N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C1=O ZINC000931684423 617093561 /nfs/dbraw/zinc/09/35/61/617093561.db2.gz RJGRBXUTWIASCB-GXTWGEPZSA-N 2 2 290.367 0.754 20 0 CCADLP CON1CC[C@H]([N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C1=O ZINC000929847683 617099566 /nfs/dbraw/zinc/09/95/66/617099566.db2.gz NFWJDOLTAPLWMQ-AVGNSLFASA-N 2 2 267.373 0.565 20 0 CCADLP CON1CC[C@H]([N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C1=O ZINC000929847683 617099568 /nfs/dbraw/zinc/09/95/68/617099568.db2.gz NFWJDOLTAPLWMQ-AVGNSLFASA-N 2 2 267.373 0.565 20 0 CCADLP CON1CC[C@H]([NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)C1=O ZINC000929847683 617099570 /nfs/dbraw/zinc/09/95/70/617099570.db2.gz NFWJDOLTAPLWMQ-AVGNSLFASA-N 2 2 267.373 0.565 20 0 CCADLP CON1CC[C@H]([NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)C1=O ZINC000929847683 617099572 /nfs/dbraw/zinc/09/95/72/617099572.db2.gz NFWJDOLTAPLWMQ-AVGNSLFASA-N 2 2 267.373 0.565 20 0 CCADLP CO[C@@H](C[N@@H+]1CCC[C@H]([NH2+]CCO)C1)C1CCC1 ZINC000923408511 617165402 /nfs/dbraw/zinc/16/54/02/617165402.db2.gz JNVMUBBQFUJLTQ-KBPBESRZSA-N 2 2 256.390 0.848 20 0 CCADLP CO[C@@H](C[N@H+]1CCC[C@H]([NH2+]CCO)C1)C1CCC1 ZINC000923408511 617165403 /nfs/dbraw/zinc/16/54/03/617165403.db2.gz JNVMUBBQFUJLTQ-KBPBESRZSA-N 2 2 256.390 0.848 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2CC[C@@H]([NH2+]CCO)[C@H]2C1 ZINC001026324789 625398479 /nfs/dbraw/zinc/39/84/79/625398479.db2.gz QOURXDOHQKCXNG-MELADBBJSA-N 2 2 292.383 0.092 20 0 CCADLP Cc1cc(N)nc(N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)[nH+]1 ZINC000893257865 625403402 /nfs/dbraw/zinc/40/34/02/625403402.db2.gz BIYNAMDRFQYZQY-QWRGUYRKSA-N 2 2 265.361 0.259 20 0 CCADLP Cc1cc(N)nc(N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)[nH+]1 ZINC000893257865 625403403 /nfs/dbraw/zinc/40/34/03/625403403.db2.gz BIYNAMDRFQYZQY-QWRGUYRKSA-N 2 2 265.361 0.259 20 0 CCADLP CS(=O)(=O)C1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)CCC1 ZINC000925663224 625483288 /nfs/dbraw/zinc/48/32/88/625483288.db2.gz QGSACSMKUQHHBV-OBPIAQAESA-N 2 2 284.425 0.540 20 0 CCADLP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1c[nH+]cn1C ZINC000892091264 622578680 /nfs/dbraw/zinc/57/86/80/622578680.db2.gz DNFMHQCSBFSFNN-ONGXEEELSA-N 2 2 251.334 0.217 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1c[nH+]cn1C ZINC000892091263 622578992 /nfs/dbraw/zinc/57/89/92/622578992.db2.gz DNFMHQCSBFSFNN-MWLCHTKSSA-N 2 2 251.334 0.217 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@@H]([NH2+]Cc2ccccn2)C1 ZINC001022889522 622836613 /nfs/dbraw/zinc/83/66/13/622836613.db2.gz MOAHCYFLILJUOZ-BETUJISGSA-N 2 2 285.351 0.784 20 0 CCADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925698252 625620947 /nfs/dbraw/zinc/62/09/47/625620947.db2.gz JOKHRYROWBTFJT-NFMDPKQHSA-N 3 2 253.390 0.470 20 0 CCADLP CC[NH2+]C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001024286518 623272406 /nfs/dbraw/zinc/27/24/06/623272406.db2.gz UNHONVRMXKLHHX-GFCCVEGCSA-N 2 2 250.346 0.731 20 0 CCADLP CC(C)NC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000052043314 623365252 /nfs/dbraw/zinc/36/52/52/623365252.db2.gz BRAAKXNDRSVXGA-ZDUSSCGKSA-N 2 2 269.437 0.781 20 0 CCADLP CC(C)[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001024912270 623485846 /nfs/dbraw/zinc/48/58/46/623485846.db2.gz DAQIXVSHTZQUED-ZIAGYGMSSA-N 2 2 283.416 0.696 20 0 CCADLP CC(C)[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001024912270 623485853 /nfs/dbraw/zinc/48/58/53/623485853.db2.gz DAQIXVSHTZQUED-ZIAGYGMSSA-N 2 2 283.416 0.696 20 0 CCADLP [NH3+][C@H]1C[C@@H](CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000892558182 623533677 /nfs/dbraw/zinc/53/36/77/623533677.db2.gz NYROJZRYCKVPNW-MBNYWOFBSA-N 2 2 290.367 0.982 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)N2CC[C@H]3C[NH+](C)C[C@H]32)CCO1 ZINC000892595709 623572128 /nfs/dbraw/zinc/57/21/28/623572128.db2.gz JEDCHOYUXOXJQN-HZSPNIEDSA-N 2 2 296.415 0.053 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)N2CC[C@H]3C[NH+](C)C[C@H]32)CCO1 ZINC000892595709 623572134 /nfs/dbraw/zinc/57/21/34/623572134.db2.gz JEDCHOYUXOXJQN-HZSPNIEDSA-N 2 2 296.415 0.053 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)CCO1 ZINC000892595709 623572138 /nfs/dbraw/zinc/57/21/38/623572138.db2.gz JEDCHOYUXOXJQN-HZSPNIEDSA-N 2 2 296.415 0.053 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)CCO1 ZINC000892595709 623572145 /nfs/dbraw/zinc/57/21/45/623572145.db2.gz JEDCHOYUXOXJQN-HZSPNIEDSA-N 2 2 296.415 0.053 20 0 CCADLP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925706733 625662721 /nfs/dbraw/zinc/66/27/21/625662721.db2.gz KIEQOQSNDYIGCU-JSAZDUPASA-N 3 2 271.355 0.817 20 0 CCADLP O=C(C[NH+]1CCCC1)N1CC[C@H]([NH2+]Cc2csnn2)C1 ZINC001019776095 623910380 /nfs/dbraw/zinc/91/03/80/623910380.db2.gz VXNKVWWIZDXQPX-NSHDSACASA-N 2 2 295.412 0.324 20 0 CCADLP Cc1ncoc1C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001019868027 623920002 /nfs/dbraw/zinc/92/00/02/623920002.db2.gz WWTVRPVOQBHUMR-LBPRGKRZSA-N 2 2 289.339 0.570 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cnn(CCF)c1 ZINC000902444906 634386584 /nfs/dbraw/zinc/38/65/84/634386584.db2.gz IWWQJCFSMDZSRD-YPMHNXCESA-N 2 2 270.352 0.709 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC000969523611 624513873 /nfs/dbraw/zinc/51/38/73/624513873.db2.gz GXHVFXNXVBNUGW-UONOGXRCSA-N 2 2 292.383 0.500 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1C[NH+](CCF)C1 ZINC000969967568 624567355 /nfs/dbraw/zinc/56/73/55/624567355.db2.gz DLHHTNFGRUBIPK-AAEUAGOBSA-N 2 2 271.380 0.877 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1C[NH+](CCF)C1 ZINC000969967568 624567357 /nfs/dbraw/zinc/56/73/57/624567357.db2.gz DLHHTNFGRUBIPK-AAEUAGOBSA-N 2 2 271.380 0.877 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC000970104362 624603905 /nfs/dbraw/zinc/60/39/05/624603905.db2.gz CQNGYYNLZKPLIG-CYBMUJFWSA-N 2 2 292.383 0.569 20 0 CCADLP C[C@@H]1COC[C@H]1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000926022420 624641054 /nfs/dbraw/zinc/64/10/54/624641054.db2.gz OCQWVBFZUBBXMW-CHWSQXEVSA-N 2 2 286.420 0.204 20 0 CCADLP C[C@@H]1COC[C@H]1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000926022420 624641056 /nfs/dbraw/zinc/64/10/56/624641056.db2.gz OCQWVBFZUBBXMW-CHWSQXEVSA-N 2 2 286.420 0.204 20 0 CCADLP Cn1cncc1C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001021126376 624662513 /nfs/dbraw/zinc/66/25/13/624662513.db2.gz LUVNBOIRWHRVKL-HAQNSBGRSA-N 2 2 288.355 0.054 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000970340519 624677855 /nfs/dbraw/zinc/67/78/55/624677855.db2.gz AGGCIQOKBWBJQE-CHWSQXEVSA-N 2 2 292.383 0.569 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC000970342244 624678676 /nfs/dbraw/zinc/67/86/76/624678676.db2.gz YLJYLUBWDUOPES-NWDGAFQWSA-N 2 2 278.356 0.179 20 0 CCADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000050248862 624804240 /nfs/dbraw/zinc/80/42/40/624804240.db2.gz QZUJTLOEYKZQJN-LLVKDONJSA-N 2 2 282.388 0.426 20 0 CCADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000050248862 624804242 /nfs/dbraw/zinc/80/42/42/624804242.db2.gz QZUJTLOEYKZQJN-LLVKDONJSA-N 2 2 282.388 0.426 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]2C[N@H+](CCO)CC[C@@H]21 ZINC001021704632 624814021 /nfs/dbraw/zinc/81/40/21/624814021.db2.gz UEJVMQCNHNPYNF-STQMWFEESA-N 2 2 292.383 0.257 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]2C[N@@H+](CCO)CC[C@@H]21 ZINC001021704632 624814022 /nfs/dbraw/zinc/81/40/22/624814022.db2.gz UEJVMQCNHNPYNF-STQMWFEESA-N 2 2 292.383 0.257 20 0 CCADLP C[C@H]1CCC[N@@H+]1CCNC(=O)NCCn1cc[nH+]c1 ZINC000891558239 624885527 /nfs/dbraw/zinc/88/55/27/624885527.db2.gz BVGICZRJBWZPQP-LBPRGKRZSA-N 2 2 265.361 0.667 20 0 CCADLP C[C@H]1CCC[N@H+]1CCNC(=O)NCCn1cc[nH+]c1 ZINC000891558239 624885530 /nfs/dbraw/zinc/88/55/30/624885530.db2.gz BVGICZRJBWZPQP-LBPRGKRZSA-N 2 2 265.361 0.667 20 0 CCADLP O=C(N[C@H]1C[C@@H]([NH2+]CCF)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001022309780 624921233 /nfs/dbraw/zinc/92/12/33/624921233.db2.gz FSJCABSBDAQNIF-UTUOFQBUSA-N 2 2 280.347 0.652 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C[C@@H](C)O1 ZINC000933733276 624932629 /nfs/dbraw/zinc/93/26/29/624932629.db2.gz HDTVSKCEGCYNFD-LVQVYYBASA-N 2 2 281.444 0.979 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C[C@@H](C)O1 ZINC000933733276 624932631 /nfs/dbraw/zinc/93/26/31/624932631.db2.gz HDTVSKCEGCYNFD-LVQVYYBASA-N 2 2 281.444 0.979 20 0 CCADLP C[C@@H]1CN(CC[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)C[C@@H](C)O1 ZINC000933733276 624932633 /nfs/dbraw/zinc/93/26/33/624932633.db2.gz HDTVSKCEGCYNFD-LVQVYYBASA-N 2 2 281.444 0.979 20 0 CCADLP C[C@@H]1CN(CC[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)C[C@@H](C)O1 ZINC000933733276 624932635 /nfs/dbraw/zinc/93/26/35/624932635.db2.gz HDTVSKCEGCYNFD-LVQVYYBASA-N 2 2 281.444 0.979 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)Nc1cc[nH+]cc1CO ZINC000891837209 624940564 /nfs/dbraw/zinc/94/05/64/624940564.db2.gz DFOVUKPIZYXRTJ-LLVKDONJSA-N 2 2 251.330 0.128 20 0 CCADLP CC[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001027191764 625754504 /nfs/dbraw/zinc/75/45/04/625754504.db2.gz WGTUVKQSHRIGKR-LLVKDONJSA-N 2 2 250.346 0.719 20 0 CCADLP Nc1cc[nH+]c2c1C[N@H+](CCCN1CCOC1=O)CC2 ZINC000931509777 625911944 /nfs/dbraw/zinc/91/19/44/625911944.db2.gz AJJOEBVIIFPOAQ-UHFFFAOYSA-N 2 2 276.340 0.864 20 0 CCADLP Nc1cc[nH+]c2c1C[N@@H+](CCCN1CCOC1=O)CC2 ZINC000931509777 625911953 /nfs/dbraw/zinc/91/19/53/625911953.db2.gz AJJOEBVIIFPOAQ-UHFFFAOYSA-N 2 2 276.340 0.864 20 0 CCADLP OCc1c[nH+]ccc1NCC1([NH+]2CCOCC2)CC1 ZINC000893514454 625953853 /nfs/dbraw/zinc/95/38/53/625953853.db2.gz ZPORQIJLJNATFR-UHFFFAOYSA-N 2 2 263.341 0.273 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000903478439 634575494 /nfs/dbraw/zinc/57/54/94/634575494.db2.gz KJBHNENRQKRYRY-RQJABVFESA-N 2 2 286.441 0.599 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1C[C@]2(C)CS(=O)(=O)C[C@]2(C)C1 ZINC000903478439 634575505 /nfs/dbraw/zinc/57/55/05/634575505.db2.gz KJBHNENRQKRYRY-RQJABVFESA-N 2 2 286.441 0.599 20 0 CCADLP C[C@]1(C2CC[NH+](C[C@H]3C[NH2+]CCO3)CC2)COC(=O)N1 ZINC000903563437 634607106 /nfs/dbraw/zinc/60/71/06/634607106.db2.gz CNAAIVXEMUABKK-TZMCWYRMSA-N 2 2 283.372 0.185 20 0 CCADLP [NH3+]CC12CCC(CC1)C[N@@H+]2C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000903768406 634642847 /nfs/dbraw/zinc/64/28/47/634642847.db2.gz MPOCVPHVLZKKDE-CQKDUHAVSA-N 2 2 266.385 0.994 20 0 CCADLP [NH3+]CC12CCC(CC1)C[N@H+]2C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000903768406 634642852 /nfs/dbraw/zinc/64/28/52/634642852.db2.gz MPOCVPHVLZKKDE-CQKDUHAVSA-N 2 2 266.385 0.994 20 0 CCADLP [NH3+]CC12CCC(CC1)C[N@@H+]2C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903767594 634643161 /nfs/dbraw/zinc/64/31/61/634643161.db2.gz IOLDTEYQNDXGJI-PWUWZPNHSA-N 3 2 279.428 0.958 20 0 CCADLP [NH3+]CC12CCC(CC1)C[N@H+]2C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903767594 634643166 /nfs/dbraw/zinc/64/31/66/634643166.db2.gz IOLDTEYQNDXGJI-PWUWZPNHSA-N 3 2 279.428 0.958 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903805671 634657116 /nfs/dbraw/zinc/65/71/16/634657116.db2.gz RGTHRYVCRSGIAA-YHUYYLMFSA-N 3 2 279.428 0.958 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903805671 634657118 /nfs/dbraw/zinc/65/71/18/634657118.db2.gz RGTHRYVCRSGIAA-YHUYYLMFSA-N 3 2 279.428 0.958 20 0 CCADLP Cc1c(C[C@@H](C[NH3+])C[NH2+]CC[C@@H]([NH3+])C(C)C)cnn1C ZINC000903933001 634692836 /nfs/dbraw/zinc/69/28/36/634692836.db2.gz JLFMXSFEBKMMCB-DZGCQCFKSA-N 3 2 281.448 0.809 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cnn1C ZINC000903916290 634694972 /nfs/dbraw/zinc/69/49/72/634694972.db2.gz GPBZQYPAQCWLOJ-IJEWVQPXSA-N 3 2 291.443 0.530 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cnn1C ZINC000903916290 634694974 /nfs/dbraw/zinc/69/49/74/634694974.db2.gz GPBZQYPAQCWLOJ-IJEWVQPXSA-N 3 2 291.443 0.530 20 0 CCADLP C[C@@]1(C[N@@H+]2CCN3C(=O)NC[C@@H]3C2)CCC[NH2+]C1 ZINC000904327943 634728520 /nfs/dbraw/zinc/72/85/20/634728520.db2.gz JVOWIENQVXHEJE-DGCLKSJQSA-N 2 2 252.362 0.086 20 0 CCADLP C[C@@]1(C[N@H+]2CCN3C(=O)NC[C@@H]3C2)CCC[NH2+]C1 ZINC000904327943 634728527 /nfs/dbraw/zinc/72/85/27/634728527.db2.gz JVOWIENQVXHEJE-DGCLKSJQSA-N 2 2 252.362 0.086 20 0 CCADLP [NH3+][C@H](C[NH2+]Cc1ccc(N2CC[NH2+]CC2)o1)C1CC1 ZINC000904355281 634734553 /nfs/dbraw/zinc/73/45/53/634734553.db2.gz MDUSPZANDMZRCN-CYBMUJFWSA-N 3 2 264.373 0.516 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)C1(O)CCCC1 ZINC000905048408 634785204 /nfs/dbraw/zinc/78/52/04/634785204.db2.gz XJPGSDSJPRZXTH-MGPQQGTHSA-N 2 2 268.401 0.869 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)C1(O)CCCC1 ZINC000905048408 634785212 /nfs/dbraw/zinc/78/52/12/634785212.db2.gz XJPGSDSJPRZXTH-MGPQQGTHSA-N 2 2 268.401 0.869 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC000980180303 630997987 /nfs/dbraw/zinc/99/79/87/630997987.db2.gz CNAATTFPHLBZOR-FRRDWIJNSA-N 2 2 292.383 0.161 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC000980180303 630997995 /nfs/dbraw/zinc/99/79/95/630997995.db2.gz CNAATTFPHLBZOR-FRRDWIJNSA-N 2 2 292.383 0.161 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC000980227379 631005212 /nfs/dbraw/zinc/00/52/12/631005212.db2.gz KBWLDGUEMQEAMG-FRRDWIJNSA-N 2 2 292.383 0.161 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC000980227379 631005220 /nfs/dbraw/zinc/00/52/20/631005220.db2.gz KBWLDGUEMQEAMG-FRRDWIJNSA-N 2 2 292.383 0.161 20 0 CCADLP COCC[N@H+]1[C@H](C)CN(CC[NH+]2CCO[C@@H](C)C2)C[C@@H]1C ZINC000249207567 631088241 /nfs/dbraw/zinc/08/82/41/631088241.db2.gz BWSOFLJBTHQWNL-XHSDSOJGSA-N 2 2 299.459 0.748 20 0 CCADLP COCC[N@@H+]1[C@H](C)CN(CC[NH+]2CCO[C@@H](C)C2)C[C@@H]1C ZINC000249207567 631088251 /nfs/dbraw/zinc/08/82/51/631088251.db2.gz BWSOFLJBTHQWNL-XHSDSOJGSA-N 2 2 299.459 0.748 20 0 CCADLP COCC[NH+]1[C@H](C)CN(CC[N@@H+]2CCO[C@@H](C)C2)C[C@@H]1C ZINC000249207567 631088253 /nfs/dbraw/zinc/08/82/53/631088253.db2.gz BWSOFLJBTHQWNL-XHSDSOJGSA-N 2 2 299.459 0.748 20 0 CCADLP COCC[NH+]1[C@H](C)CN(CC[N@H+]2CCO[C@@H](C)C2)C[C@@H]1C ZINC000249207567 631088257 /nfs/dbraw/zinc/08/82/57/631088257.db2.gz BWSOFLJBTHQWNL-XHSDSOJGSA-N 2 2 299.459 0.748 20 0 CCADLP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)[C@H]1CCCC[NH2+]1 ZINC000925816088 631303117 /nfs/dbraw/zinc/30/31/17/631303117.db2.gz DNYROYNIAXTSQY-GXTWGEPZSA-N 3 2 254.422 0.530 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC2(C1)CCC[N@@H+](CCO)C2 ZINC000981924473 631337185 /nfs/dbraw/zinc/33/71/85/631337185.db2.gz OWOPQTDWUDWZPN-UHFFFAOYSA-N 2 2 292.383 0.190 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC2(C1)CCC[N@H+](CCO)C2 ZINC000981924473 631337193 /nfs/dbraw/zinc/33/71/93/631337193.db2.gz OWOPQTDWUDWZPN-UHFFFAOYSA-N 2 2 292.383 0.190 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[N@H+](C[C@@H]2CCOC2)CC1 ZINC000982035291 631370485 /nfs/dbraw/zinc/37/04/85/631370485.db2.gz DFQHYCHYZLHWDU-ZDUSSCGKSA-N 2 2 292.383 0.523 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[N@@H+](C[C@@H]2CCOC2)CC1 ZINC000982035291 631370494 /nfs/dbraw/zinc/37/04/94/631370494.db2.gz DFQHYCHYZLHWDU-ZDUSSCGKSA-N 2 2 292.383 0.523 20 0 CCADLP CC[C@@H]1COC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000924903923 631612622 /nfs/dbraw/zinc/61/26/22/631612622.db2.gz YCFMPPRDHXTSBO-RBSFLKMASA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@@H]1COC[C@H]1[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000924903923 631612626 /nfs/dbraw/zinc/61/26/26/631612626.db2.gz YCFMPPRDHXTSBO-RBSFLKMASA-N 2 2 297.443 0.944 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CCCO)CC[C@@H]1C ZINC000968597516 650022526 /nfs/dbraw/zinc/02/25/26/650022526.db2.gz YXJYLCNCJNNXKP-SMDDNHRTSA-N 2 2 294.399 0.470 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CCCO)CC[C@@H]1C ZINC000968597516 650022528 /nfs/dbraw/zinc/02/25/28/650022528.db2.gz YXJYLCNCJNNXKP-SMDDNHRTSA-N 2 2 294.399 0.470 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](CCF)CC[C@@H]1C ZINC000968654922 650025575 /nfs/dbraw/zinc/02/55/75/650025575.db2.gz IDTLKHCTYAKYML-WCQYABFASA-N 2 2 282.363 0.988 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](CCF)CC[C@@H]1C ZINC000968654922 650025577 /nfs/dbraw/zinc/02/55/77/650025577.db2.gz IDTLKHCTYAKYML-WCQYABFASA-N 2 2 282.363 0.988 20 0 CCADLP Cc1cc[nH+]c(N)c1CN1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000895085736 631930763 /nfs/dbraw/zinc/93/07/63/631930763.db2.gz OUEIJIRCYVVKFV-LBPRGKRZSA-N 2 2 291.399 0.524 20 0 CCADLP C[C@@H](O)CNc1cc(NC[C@@H]2CC[N@H+]2C)nc[nH+]1 ZINC000895772213 632151500 /nfs/dbraw/zinc/15/15/00/632151500.db2.gz XZWIWNXDOJPZJZ-ZJUUUORDSA-N 2 2 251.334 0.385 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)C1C[NH+](C2CCOCC2)C1 ZINC000896285602 632221393 /nfs/dbraw/zinc/22/13/93/632221393.db2.gz DPPRMIZAHKQKKY-UHFFFAOYSA-N 2 2 278.356 0.179 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H](C[NH2+]C[C@H]2CCOC2)C1 ZINC000985171879 632368258 /nfs/dbraw/zinc/36/82/58/632368258.db2.gz VWSMNDPHWAMIPO-MGPQQGTHSA-N 2 2 292.383 0.404 20 0 CCADLP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000985717194 632626224 /nfs/dbraw/zinc/62/62/24/632626224.db2.gz JSEBCZZGKQOESV-LLVKDONJSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000985717194 632626233 /nfs/dbraw/zinc/62/62/33/632626233.db2.gz JSEBCZZGKQOESV-LLVKDONJSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CCF)CCN1C(=O)CCn1cc[nH+]c1 ZINC000986628710 632783902 /nfs/dbraw/zinc/78/39/02/632783902.db2.gz NMXTXYBVONTAQR-RYUDHWBXSA-N 2 2 268.336 0.822 20 0 CCADLP C[C@@H]1[C@H]([NH2+]CC2CC2)CCN1C(=O)Cc1c[nH+]cn1C ZINC000987348696 632859887 /nfs/dbraw/zinc/85/98/87/632859887.db2.gz OPHVEZWLILCEMG-BXUZGUMPSA-N 2 2 276.384 0.952 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCF)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000988742971 633100418 /nfs/dbraw/zinc/10/04/18/633100418.db2.gz JAATWAHSDIOOGI-MNOVXSKESA-N 2 2 268.336 0.891 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCF)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC000988933994 633127971 /nfs/dbraw/zinc/12/79/71/633127971.db2.gz PKELEKOIKRDSAG-PWSUYJOCSA-N 2 2 268.336 0.891 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCF)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC000988933994 633127974 /nfs/dbraw/zinc/12/79/74/633127974.db2.gz PKELEKOIKRDSAG-PWSUYJOCSA-N 2 2 268.336 0.891 20 0 CCADLP COc1ccnc(NCC[NH+]2CCC([NH3+])CC2)n1 ZINC000322058366 633135435 /nfs/dbraw/zinc/13/54/35/633135435.db2.gz BUAOVWSYALMAJJ-UHFFFAOYSA-N 2 2 251.334 0.320 20 0 CCADLP CC(C)[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000989857243 633367979 /nfs/dbraw/zinc/36/79/79/633367979.db2.gz IWQCFBJELNDELB-NWDGAFQWSA-N 2 2 250.346 0.871 20 0 CCADLP C[C@H]1CO[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000898668695 633645559 /nfs/dbraw/zinc/64/55/59/633645559.db2.gz JRBZUGMRSULJNW-OLZOCXBDSA-N 2 2 271.405 0.411 20 0 CCADLP C[C@H]1CO[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000898668695 633645562 /nfs/dbraw/zinc/64/55/62/633645562.db2.gz JRBZUGMRSULJNW-OLZOCXBDSA-N 2 2 271.405 0.411 20 0 CCADLP C[C@H]1CO[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000898668694 633645882 /nfs/dbraw/zinc/64/58/82/633645882.db2.gz JRBZUGMRSULJNW-CHWSQXEVSA-N 2 2 271.405 0.411 20 0 CCADLP C[C@H]1CO[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000898668694 633645885 /nfs/dbraw/zinc/64/58/85/633645885.db2.gz JRBZUGMRSULJNW-CHWSQXEVSA-N 2 2 271.405 0.411 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000899241835 633766462 /nfs/dbraw/zinc/76/64/62/633766462.db2.gz LKWICCJSEOXNBV-OUAUKWLOSA-N 2 2 251.334 0.260 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000899244618 633767501 /nfs/dbraw/zinc/76/75/01/633767501.db2.gz FGAOKEUHELFJPN-UTUOFQBUSA-N 2 2 265.361 0.698 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000899248878 633773072 /nfs/dbraw/zinc/77/30/72/633773072.db2.gz RPSZASMVHWUTFQ-MBNYWOFBSA-N 2 2 277.372 0.794 20 0 CCADLP Cc1[nH+]c(N)ccc1-c1cnc(N2CC[NH2+]CC2)cn1 ZINC000899322646 633801917 /nfs/dbraw/zinc/80/19/17/633801917.db2.gz JCCZAUDRXQCYPV-UHFFFAOYSA-N 2 2 270.340 0.839 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001009216507 650139892 /nfs/dbraw/zinc/13/98/92/650139892.db2.gz UDBNOUWSWDCSGC-GFCCVEGCSA-N 2 2 264.373 0.952 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001009216507 650139893 /nfs/dbraw/zinc/13/98/93/650139893.db2.gz UDBNOUWSWDCSGC-GFCCVEGCSA-N 2 2 264.373 0.952 20 0 CCADLP CO[C@H](C)C[N@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001009347892 650143472 /nfs/dbraw/zinc/14/34/72/650143472.db2.gz UXJHNDNLMCBQMH-DGCLKSJQSA-N 2 2 294.399 0.876 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC000901161371 634203899 /nfs/dbraw/zinc/20/38/99/634203899.db2.gz AXGMFWUSAGZWQQ-RDBSUJKOSA-N 2 2 292.383 0.662 20 0 CCADLP O[C@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)CC1(O)CCCC1 ZINC000905264756 634831168 /nfs/dbraw/zinc/83/11/68/634831168.db2.gz WHORWKJAJQPYPP-RYUDHWBXSA-N 2 2 279.384 0.913 20 0 CCADLP Nc1ccc(Cn2cc(C[C@@H]3CCC[NH2+]C3)nn2)c[nH+]1 ZINC000905817512 634911614 /nfs/dbraw/zinc/91/16/14/634911614.db2.gz QYABTWGWRLBQMZ-NSHDSACASA-N 2 2 272.356 0.846 20 0 CCADLP C[C@@](C[NH3+])(NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000911803166 636396225 /nfs/dbraw/zinc/39/62/25/636396225.db2.gz PHQCFQOYVYSHLP-YGRLFVJLSA-N 2 2 262.357 0.689 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912746842 636666143 /nfs/dbraw/zinc/66/61/43/636666143.db2.gz STMNUSCKBUKNDG-ZDUSSCGKSA-N 2 2 280.372 0.107 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912746842 636666147 /nfs/dbraw/zinc/66/61/47/636666147.db2.gz STMNUSCKBUKNDG-ZDUSSCGKSA-N 2 2 280.372 0.107 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@@H+]1CCCO ZINC000947860955 636885105 /nfs/dbraw/zinc/88/51/05/636885105.db2.gz CDERTGPLBGYEFM-VXGBXAGGSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@H+]1CCCO ZINC000947860955 636885110 /nfs/dbraw/zinc/88/51/10/636885110.db2.gz CDERTGPLBGYEFM-VXGBXAGGSA-N 2 2 280.372 0.304 20 0 CCADLP Cn1c(Cl)cnc1C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179756 637205414 /nfs/dbraw/zinc/20/54/14/637205414.db2.gz GMFLLHOTTOGYPV-JTQLQIEISA-N 2 2 299.806 0.360 20 0 CCADLP Cn1c(Cl)cnc1C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179756 637205430 /nfs/dbraw/zinc/20/54/30/637205430.db2.gz GMFLLHOTTOGYPV-JTQLQIEISA-N 2 2 299.806 0.360 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CCC[C@H]([NH2+]CCO)[C@@H]2C1 ZINC000992815295 637602775 /nfs/dbraw/zinc/60/27/75/637602775.db2.gz AQMQTCGWXSHIKZ-YUTCNCBUSA-N 2 2 292.383 0.161 20 0 CCADLP Cc1nn(C)c(Cl)c1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071150283 638542669 /nfs/dbraw/zinc/54/26/69/638542669.db2.gz PINCGOLRYRWHIV-UHFFFAOYSA-N 2 2 285.823 0.719 20 0 CCADLP Cc1nn(C)c(Cl)c1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071150283 638542689 /nfs/dbraw/zinc/54/26/89/638542689.db2.gz PINCGOLRYRWHIV-UHFFFAOYSA-N 2 2 285.823 0.719 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1C[C@@H]([NH2+]CCF)C(C)(C)C1 ZINC000996516248 638821485 /nfs/dbraw/zinc/82/14/85/638821485.db2.gz YPSJGGKIUKCSQV-GFCCVEGCSA-N 2 2 282.363 0.759 20 0 CCADLP CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]CCF ZINC000996717693 638829883 /nfs/dbraw/zinc/82/98/83/638829883.db2.gz VERQGEHKVGIPAE-LLVKDONJSA-N 2 2 268.336 0.679 20 0 CCADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1c2c(nn1C)CCOC2 ZINC000921619064 638870743 /nfs/dbraw/zinc/87/07/43/638870743.db2.gz LMFUUQRZHLJCNN-NSHDSACASA-N 2 2 266.389 0.923 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC000925345076 638972681 /nfs/dbraw/zinc/97/26/81/638972681.db2.gz WAFPLTLNHIANRR-HZSPNIEDSA-N 2 2 296.415 0.195 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC[N@H+]1C ZINC000925345076 638972682 /nfs/dbraw/zinc/97/26/82/638972682.db2.gz WAFPLTLNHIANRR-HZSPNIEDSA-N 2 2 296.415 0.195 20 0 CCADLP CC[NH2+]C1CC(N(C)C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000999872793 639013686 /nfs/dbraw/zinc/01/36/86/639013686.db2.gz XVMBGOGWFFECQP-NRXISQOPSA-N 2 2 295.427 0.696 20 0 CCADLP O=c1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc[nH]1 ZINC000921690635 639042046 /nfs/dbraw/zinc/04/20/46/639042046.db2.gz OMLXWPGOVMWKGI-STQMWFEESA-N 2 2 263.341 0.740 20 0 CCADLP O=c1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc[nH]1 ZINC000921690635 639042051 /nfs/dbraw/zinc/04/20/51/639042051.db2.gz OMLXWPGOVMWKGI-STQMWFEESA-N 2 2 263.341 0.740 20 0 CCADLP C[C@@H](CC(=O)N1CCC[C@@H]([NH2+]CCO)C1)n1cc[nH+]c1 ZINC001000336674 639072970 /nfs/dbraw/zinc/07/29/70/639072970.db2.gz OCDMASQBOOZLTG-QWHCGFSZSA-N 2 2 280.372 0.407 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001000541633 639112013 /nfs/dbraw/zinc/11/20/13/639112013.db2.gz IJXRWKVCBUUKEI-CHWSQXEVSA-N 2 2 292.383 0.569 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001000821081 639175199 /nfs/dbraw/zinc/17/51/99/639175199.db2.gz XVQUIFDKOQPHEW-STQMWFEESA-N 2 2 294.399 0.314 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCF)C1 ZINC001014965532 650509016 /nfs/dbraw/zinc/50/90/16/650509016.db2.gz URKLALPHMNLWMA-VXGBXAGGSA-N 2 2 257.353 0.631 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCF)C1 ZINC001014965532 650509018 /nfs/dbraw/zinc/50/90/18/650509018.db2.gz URKLALPHMNLWMA-VXGBXAGGSA-N 2 2 257.353 0.631 20 0 CCADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCF)C1 ZINC001014965532 650509019 /nfs/dbraw/zinc/50/90/19/650509019.db2.gz URKLALPHMNLWMA-VXGBXAGGSA-N 2 2 257.353 0.631 20 0 CCADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCF)C1 ZINC001014965532 650509021 /nfs/dbraw/zinc/50/90/21/650509021.db2.gz URKLALPHMNLWMA-VXGBXAGGSA-N 2 2 257.353 0.631 20 0 CCADLP CC[C@@H](C[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1)OC ZINC001004257008 639737716 /nfs/dbraw/zinc/73/77/16/639737716.db2.gz HMLZTZPATCTIIQ-AWEZNQCLSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@@H](C[NH3+])[N@H+](C)C[C@H](O)COc1ccc(F)cc1 ZINC000923289038 640072822 /nfs/dbraw/zinc/07/28/22/640072822.db2.gz DCNXTTRZGBFFAP-JQWIXIFHSA-N 2 2 256.321 0.844 20 0 CCADLP C[C@@H](C[NH3+])[N@@H+](C)C[C@H](O)COc1ccc(F)cc1 ZINC000923289038 640072826 /nfs/dbraw/zinc/07/28/26/640072826.db2.gz DCNXTTRZGBFFAP-JQWIXIFHSA-N 2 2 256.321 0.844 20 0 CCADLP Cn1cc([C@@H]2C[N@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)CCO2)cn1 ZINC000923324143 640085577 /nfs/dbraw/zinc/08/55/77/640085577.db2.gz BVYSOUALBAWEKH-KBPBESRZSA-N 2 2 292.383 0.172 20 0 CCADLP Cn1cc([C@@H]2C[N@@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)CCO2)cn1 ZINC000923324143 640085578 /nfs/dbraw/zinc/08/55/78/640085578.db2.gz BVYSOUALBAWEKH-KBPBESRZSA-N 2 2 292.383 0.172 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000923332206 640088126 /nfs/dbraw/zinc/08/81/26/640088126.db2.gz ILXIHKZLYBOOTH-WTUNAVPPSA-N 3 2 253.390 0.567 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000923332206 640088135 /nfs/dbraw/zinc/08/81/35/640088135.db2.gz ILXIHKZLYBOOTH-WTUNAVPPSA-N 3 2 253.390 0.567 20 0 CCADLP O[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)COC[C@H]1CCCO1 ZINC000923398644 640120054 /nfs/dbraw/zinc/12/00/54/640120054.db2.gz KXAQPTQVTFNRQJ-MCIONIFRSA-N 2 2 284.400 0.417 20 0 CCADLP FC(F)[C@H]1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923421327 640135059 /nfs/dbraw/zinc/13/50/59/640135059.db2.gz PNXXHLGBCNSNBG-VHSXEESVSA-N 2 2 262.300 0.331 20 0 CCADLP FC(F)[C@H]1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923421327 640135062 /nfs/dbraw/zinc/13/50/62/640135062.db2.gz PNXXHLGBCNSNBG-VHSXEESVSA-N 2 2 262.300 0.331 20 0 CCADLP O[C@H](CCc1ccccc1)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923460791 640149957 /nfs/dbraw/zinc/14/99/57/640149957.db2.gz QZNVYFIZUCTANI-MRXNPFEDSA-N 2 2 277.412 0.475 20 0 CCADLP O=C1CC[C@H]([NH+]2CCC(c3c[nH]c[nH+]3)CC2)C(=O)N1 ZINC000799140127 640546599 /nfs/dbraw/zinc/54/65/99/640546599.db2.gz BEUVHRHOJKEWQM-NSHDSACASA-N 2 2 262.313 0.394 20 0 CCADLP O[C@H](C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(F)cn1 ZINC000799297213 640557475 /nfs/dbraw/zinc/55/74/75/640557475.db2.gz SXXVVPPQRDPBOF-GIPNMCIBSA-N 2 2 251.305 0.405 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001015690506 650609676 /nfs/dbraw/zinc/60/96/76/650609676.db2.gz NVSDYRWGQPCVPM-NWDGAFQWSA-N 2 2 292.383 0.667 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001015690506 650609681 /nfs/dbraw/zinc/60/96/81/650609681.db2.gz NVSDYRWGQPCVPM-NWDGAFQWSA-N 2 2 292.383 0.667 20 0 CCADLP OCCCCCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000817917748 641279510 /nfs/dbraw/zinc/27/95/10/641279510.db2.gz FHMRNMSOQLJATP-KBPBESRZSA-N 2 2 256.390 0.896 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])CCO1 ZINC000818340988 641323393 /nfs/dbraw/zinc/32/33/93/641323393.db2.gz UOBOPNBPANRSOC-IJLUTSLNSA-N 2 2 255.362 0.093 20 0 CCADLP C[C@@H](F)CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001015995824 650671977 /nfs/dbraw/zinc/67/19/77/650671977.db2.gz AOYNPUJDYCPJOI-NEPJUHHUSA-N 2 2 282.363 0.901 20 0 CCADLP C[C@@H](F)CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001015995824 650671979 /nfs/dbraw/zinc/67/19/79/650671979.db2.gz AOYNPUJDYCPJOI-NEPJUHHUSA-N 2 2 282.363 0.901 20 0 CCADLP O=C(NCC[NH+]1CCC(O)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC000821864229 641633013 /nfs/dbraw/zinc/63/30/13/641633013.db2.gz VYHFALVKXFDZTC-UHFFFAOYSA-N 2 2 288.351 0.749 20 0 CCADLP Cn1nccc1C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016252481 650706190 /nfs/dbraw/zinc/70/61/90/650706190.db2.gz RNORFPLBRAFLFU-ZDUSSCGKSA-N 2 2 291.399 0.206 20 0 CCADLP Cn1nccc1C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016252481 650706191 /nfs/dbraw/zinc/70/61/91/650706191.db2.gz RNORFPLBRAFLFU-ZDUSSCGKSA-N 2 2 291.399 0.206 20 0 CCADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001016258713 650706756 /nfs/dbraw/zinc/70/67/56/650706756.db2.gz IOQQOGDIKVXSBT-HNNXBMFYSA-N 2 2 288.395 0.868 20 0 CCADLP O=C(C[NH+]1CCCC1)N[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001016258713 650706759 /nfs/dbraw/zinc/70/67/59/650706759.db2.gz IOQQOGDIKVXSBT-HNNXBMFYSA-N 2 2 288.395 0.868 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](CC[C@H]2CCCO2)C1 ZINC001016398549 650724940 /nfs/dbraw/zinc/72/49/40/650724940.db2.gz VAHLCXNDSGHJFE-ZIAGYGMSSA-N 2 2 292.383 0.643 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CC[C@H]2CCCO2)C1 ZINC001016398549 650724942 /nfs/dbraw/zinc/72/49/42/650724942.db2.gz VAHLCXNDSGHJFE-ZIAGYGMSSA-N 2 2 292.383 0.643 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016395791 650725454 /nfs/dbraw/zinc/72/54/54/650725454.db2.gz AEPGQEPAQDQTQQ-NEPJUHHUSA-N 2 2 266.345 0.109 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016395791 650725455 /nfs/dbraw/zinc/72/54/55/650725455.db2.gz AEPGQEPAQDQTQQ-NEPJUHHUSA-N 2 2 266.345 0.109 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000830905332 642299817 /nfs/dbraw/zinc/29/98/17/642299817.db2.gz GYXJRGLOPDIJRD-PWSUYJOCSA-N 2 2 264.329 0.393 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000830905332 642299821 /nfs/dbraw/zinc/29/98/21/642299821.db2.gz GYXJRGLOPDIJRD-PWSUYJOCSA-N 2 2 264.329 0.393 20 0 CCADLP Cc1ccc([C@H](O)C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)o1 ZINC000843085201 642990664 /nfs/dbraw/zinc/99/06/64/642990664.db2.gz GNTFYUKKWVYYQL-QWHCGFSZSA-N 2 2 268.357 0.666 20 0 CCADLP Cc1ccc([C@H](O)C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)o1 ZINC000843085201 642990667 /nfs/dbraw/zinc/99/06/67/642990667.db2.gz GNTFYUKKWVYYQL-QWHCGFSZSA-N 2 2 268.357 0.666 20 0 CCADLP C[N@H+](CC(F)F)C1CCN(C(=O)COCC[NH3+])CC1 ZINC000844188544 643175757 /nfs/dbraw/zinc/17/57/57/643175757.db2.gz VHYWVTMTFGYJAY-UHFFFAOYSA-N 2 2 279.331 0.150 20 0 CCADLP C[N@@H+](CC(F)F)C1CCN(C(=O)COCC[NH3+])CC1 ZINC000844188544 643175764 /nfs/dbraw/zinc/17/57/64/643175764.db2.gz VHYWVTMTFGYJAY-UHFFFAOYSA-N 2 2 279.331 0.150 20 0 CCADLP C[C@H](CC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)n1cc[nH+]c1 ZINC000845344458 643305313 /nfs/dbraw/zinc/30/53/13/643305313.db2.gz WNYFQABXMOCEDT-MCIONIFRSA-N 2 2 292.383 0.814 20 0 CCADLP C[C@H](CC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)n1cc[nH+]c1 ZINC000845344458 643305318 /nfs/dbraw/zinc/30/53/18/643305318.db2.gz WNYFQABXMOCEDT-MCIONIFRSA-N 2 2 292.383 0.814 20 0 CCADLP C[C@@H]1CCCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)[C@@H]1CC[NH3+] ZINC000846693511 643449356 /nfs/dbraw/zinc/44/93/56/643449356.db2.gz IBZZPFLOPMECPM-ZWNOBZJWSA-N 2 2 291.399 0.645 20 0 CCADLP CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001018338351 650854177 /nfs/dbraw/zinc/85/41/77/650854177.db2.gz UCLJNKLJPPGDFT-BETUJISGSA-N 2 2 262.357 0.968 20 0 CCADLP CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001018338351 650854180 /nfs/dbraw/zinc/85/41/80/650854180.db2.gz UCLJNKLJPPGDFT-BETUJISGSA-N 2 2 262.357 0.968 20 0 CCADLP Cc1cc(NCC[N@@H+](C)CCC[NH+](C)C)nc(N)[nH+]1 ZINC000853799370 644144882 /nfs/dbraw/zinc/14/48/82/644144882.db2.gz ONOQPJOJCFUABQ-UHFFFAOYSA-N 3 2 266.393 0.663 20 0 CCADLP Cc1cc(NCC[N@H+](C)CCC[NH+](C)C)nc(N)[nH+]1 ZINC000853799370 644144887 /nfs/dbraw/zinc/14/48/87/644144887.db2.gz ONOQPJOJCFUABQ-UHFFFAOYSA-N 3 2 266.393 0.663 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000857101878 644465214 /nfs/dbraw/zinc/46/52/14/644465214.db2.gz PEQRDJAJHJRCAA-NSHDSACASA-N 2 2 279.388 0.798 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2cnon2)C1 ZINC001019043719 650933069 /nfs/dbraw/zinc/93/30/69/650933069.db2.gz FPRRJFBLVRGWOR-WCQYABFASA-N 2 2 293.371 0.244 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]Cc2cnon2)C1 ZINC001019043719 650933074 /nfs/dbraw/zinc/93/30/74/650933074.db2.gz FPRRJFBLVRGWOR-WCQYABFASA-N 2 2 293.371 0.244 20 0 CCADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[C@H]([NH2+]CCF)C1 ZINC001019060865 650934603 /nfs/dbraw/zinc/93/46/03/650934603.db2.gz IUHFZWXWGKWNHM-RYUDHWBXSA-N 2 2 280.347 0.606 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N2CC[C@H]([NH2+]CCF)C2)no1 ZINC001019069764 650935350 /nfs/dbraw/zinc/93/53/50/650935350.db2.gz HKSSFMLSGLCDKA-JTQLQIEISA-N 2 2 284.335 0.510 20 0 CCADLP C[C@](O)(C[C@H](O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)C1CC1 ZINC000863970046 645152174 /nfs/dbraw/zinc/15/21/74/645152174.db2.gz NLLALPJMDCQYDR-ZFWWWQNUSA-N 2 2 294.399 0.444 20 0 CCADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000864885326 645301415 /nfs/dbraw/zinc/30/14/15/645301415.db2.gz QYVUHFOFWPVQBL-UJOCRUBTSA-N 2 2 293.411 0.618 20 0 CCADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000864885326 645301422 /nfs/dbraw/zinc/30/14/22/645301422.db2.gz QYVUHFOFWPVQBL-UJOCRUBTSA-N 2 2 293.411 0.618 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000865344560 645356817 /nfs/dbraw/zinc/35/68/17/645356817.db2.gz NKPWVLNVFOQGBZ-AGIUHOORSA-N 2 2 277.372 0.808 20 0 CCADLP O=c1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c[nH]1 ZINC000865451289 645369013 /nfs/dbraw/zinc/36/90/13/645369013.db2.gz XKZJCAPIYAHGHE-CHWSQXEVSA-N 2 2 263.341 0.740 20 0 CCADLP O=c1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c[nH]1 ZINC000865451289 645369019 /nfs/dbraw/zinc/36/90/19/645369019.db2.gz XKZJCAPIYAHGHE-CHWSQXEVSA-N 2 2 263.341 0.740 20 0 CCADLP C[C@@H](NC(=O)[C@H]1CC[C@H]([NH3+])CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000870882459 646034713 /nfs/dbraw/zinc/03/47/13/646034713.db2.gz NRPDKNPIIKZQSX-AAVRWANBSA-N 2 2 283.416 0.729 20 0 CCADLP C[C@H](CNC(=O)CCC12CC(C1)C[NH2+]2)[NH+]1CCN(C)CC1 ZINC000870888095 646037477 /nfs/dbraw/zinc/03/74/77/646037477.db2.gz BXCYPOCKNGPGCK-VQCLRJIVSA-N 2 2 294.443 0.271 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000870982593 646071914 /nfs/dbraw/zinc/07/19/14/646071914.db2.gz IZYAUUUULZPBBM-INIZCTEOSA-N 2 2 296.459 0.742 20 0 CCADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+]([C@H]1CCN(CC(F)(F)F)C1=O)C2 ZINC000872154331 646215293 /nfs/dbraw/zinc/21/52/93/646215293.db2.gz WQCPQXIIXRLCBB-JBLDHEPKSA-N 2 2 291.317 0.691 20 0 CCADLP C[C@]12C[NH2+]C[C@H]1C[N@H+]([C@H]1CCN(CC(F)(F)F)C1=O)C2 ZINC000872154331 646215297 /nfs/dbraw/zinc/21/52/97/646215297.db2.gz WQCPQXIIXRLCBB-JBLDHEPKSA-N 2 2 291.317 0.691 20 0 CCADLP C[C@H]1CN(Cc2cc3c(s2)CC[NH2+]C3)CC[N@@H+]1CCO ZINC000873209208 646358113 /nfs/dbraw/zinc/35/81/13/646358113.db2.gz JRXFNVLLRGOVRW-LBPRGKRZSA-N 2 2 295.452 0.892 20 0 CCADLP C[C@H]1CN(Cc2cc3c(s2)CC[NH2+]C3)CC[N@H+]1CCO ZINC000873209208 646358117 /nfs/dbraw/zinc/35/81/17/646358117.db2.gz JRXFNVLLRGOVRW-LBPRGKRZSA-N 2 2 295.452 0.892 20 0 CCADLP C[C@H]([NH2+]Cc1ccnc(-n2cncn2)c1)[C@@H]1CCC[NH2+]1 ZINC000873236855 646364936 /nfs/dbraw/zinc/36/49/36/646364936.db2.gz GUKMOUPPZFMMEP-AAEUAGOBSA-N 2 2 272.356 0.892 20 0 CCADLP O=C(/C=C\[C@H]1CCC[NH2+]C1)NCCCn1cc[nH+]c1 ZINC000876707411 646647314 /nfs/dbraw/zinc/64/73/14/646647314.db2.gz FRLMNSKMGUYXGN-DSYXLKISSA-N 2 2 262.357 0.945 20 0 CCADLP C[C@@H](NC(=O)[C@]12CCC[C@H]1[NH2+]CC2)[C@@H](C)[NH+]1CCOCC1 ZINC000876756393 646658306 /nfs/dbraw/zinc/65/83/06/646658306.db2.gz TVLPNBXNHWNWIZ-KQTLUZQSSA-N 2 2 295.427 0.744 20 0 CCADLP [NH3+]CC12CCC(CC1)N2C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000877184983 646752311 /nfs/dbraw/zinc/75/23/11/646752311.db2.gz VHNDXBGUADDVDW-BZUNDVKYSA-N 2 2 274.368 0.928 20 0 CCADLP [NH3+]CC1(NC(=O)/C=C\C[NH+]2CCOCC2)CCCCC1 ZINC000877205799 646756827 /nfs/dbraw/zinc/75/68/27/646756827.db2.gz VNXMPKVDMMAHDB-PLNGDYQASA-N 2 2 281.400 0.653 20 0 CCADLP Cc1cc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)n(C)n1 ZINC000877746289 646838127 /nfs/dbraw/zinc/83/81/27/646838127.db2.gz KYBDETFDWSXBEV-UHFFFAOYSA-N 2 2 291.443 0.940 20 0 CCADLP O=C1C[C@H](C[N@@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)CN1 ZINC000880207316 647170469 /nfs/dbraw/zinc/17/04/69/647170469.db2.gz XZKILLFCTUYPCZ-GXTWGEPZSA-N 2 2 281.400 0.356 20 0 CCADLP O=C1C[C@H](C[N@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)CN1 ZINC000880207316 647170472 /nfs/dbraw/zinc/17/04/72/647170472.db2.gz XZKILLFCTUYPCZ-GXTWGEPZSA-N 2 2 281.400 0.356 20 0 CCADLP c1ncc2c(n1)CC[N@@H+](C[C@@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000883462704 647530560 /nfs/dbraw/zinc/53/05/60/647530560.db2.gz XPMPAMAZHMVMLP-LBPRGKRZSA-N 2 2 260.341 0.356 20 0 CCADLP c1ncc2c(n1)CC[N@H+](C[C@@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000883462704 647530565 /nfs/dbraw/zinc/53/05/65/647530565.db2.gz XPMPAMAZHMVMLP-LBPRGKRZSA-N 2 2 260.341 0.356 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCC(=O)NC(C)(C)C ZINC000134201196 647706399 /nfs/dbraw/zinc/70/63/99/647706399.db2.gz CLYGMWCDEHZBLK-VXGBXAGGSA-N 2 2 271.405 0.648 20 0 CCADLP O=S(=O)(CCn1cc[nH+]c1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884959246 647818161 /nfs/dbraw/zinc/81/81/61/647818161.db2.gz KIGKWKMSUGEEDT-OLZOCXBDSA-N 2 2 298.412 0.429 20 0 CCADLP O=S(=O)(CCn1cc[nH+]c1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000884959246 647818162 /nfs/dbraw/zinc/81/81/62/647818162.db2.gz KIGKWKMSUGEEDT-OLZOCXBDSA-N 2 2 298.412 0.429 20 0 CCADLP Cc1n[nH]c(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c1C ZINC000886168219 647911242 /nfs/dbraw/zinc/91/12/42/647911242.db2.gz LRYDBGFUVGRANA-ZDUSSCGKSA-N 2 2 279.388 0.456 20 0 CCADLP Cc1n[nH]c(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c1C ZINC000886168219 647911245 /nfs/dbraw/zinc/91/12/45/647911245.db2.gz LRYDBGFUVGRANA-ZDUSSCGKSA-N 2 2 279.388 0.456 20 0 CCADLP O=C(CC[N@@H+](CC(F)F)C1CCC1)N1CC[NH2+]CC1 ZINC000886880929 648027718 /nfs/dbraw/zinc/02/77/18/648027718.db2.gz JTNCWJHRBZRMEL-UHFFFAOYSA-N 2 2 275.343 0.928 20 0 CCADLP O=C(CC[N@H+](CC(F)F)C1CCC1)N1CC[NH2+]CC1 ZINC000886880929 648027721 /nfs/dbraw/zinc/02/77/21/648027721.db2.gz JTNCWJHRBZRMEL-UHFFFAOYSA-N 2 2 275.343 0.928 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889743741 648240515 /nfs/dbraw/zinc/24/05/15/648240515.db2.gz IAQMPNKUMHPILP-OLZOCXBDSA-N 2 2 278.356 0.010 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889743741 648240523 /nfs/dbraw/zinc/24/05/23/648240523.db2.gz IAQMPNKUMHPILP-OLZOCXBDSA-N 2 2 278.356 0.010 20 0 CCADLP C[C@H](C[NH2+][C@@H](C)c1cnn(C)n1)N1CC[NH+](C)CC1 ZINC000924962064 648391629 /nfs/dbraw/zinc/39/16/29/648391629.db2.gz QIUVSGZGCBMJFZ-NEPJUHHUSA-N 2 2 266.393 0.102 20 0 CCADLP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cnn(C)n1 ZINC000924962115 648392056 /nfs/dbraw/zinc/39/20/56/648392056.db2.gz QIUVSGZGCBMJFZ-NWDGAFQWSA-N 2 2 266.393 0.102 20 0 CCADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1CC[N@@H+]1C ZINC000925416863 648431522 /nfs/dbraw/zinc/43/15/22/648431522.db2.gz XQRBEZMTBQVBGH-UONOGXRCSA-N 2 2 297.447 0.016 20 0 CCADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1CC[N@H+]1C ZINC000925416863 648431526 /nfs/dbraw/zinc/43/15/26/648431526.db2.gz XQRBEZMTBQVBGH-UONOGXRCSA-N 2 2 297.447 0.016 20 0 CCADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@H]1CC[N@@H+]1C ZINC000925416863 648431528 /nfs/dbraw/zinc/43/15/28/648431528.db2.gz XQRBEZMTBQVBGH-UONOGXRCSA-N 2 2 297.447 0.016 20 0 CCADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@H]1CC[N@H+]1C ZINC000925416863 648431529 /nfs/dbraw/zinc/43/15/29/648431529.db2.gz XQRBEZMTBQVBGH-UONOGXRCSA-N 2 2 297.447 0.016 20 0 CCADLP Cn1cc([C@@H](O)C[NH2+][C@@H]2CC[NH2+]C23CCC3)cn1 ZINC000925514443 648439811 /nfs/dbraw/zinc/43/98/11/648439811.db2.gz FKPSOZZZZCNCBZ-NWDGAFQWSA-N 2 2 250.346 0.328 20 0 CCADLP FC(F)(F)COCCC[NH2+][C@H]1C[NH2+]CCOC1 ZINC000925537538 648441659 /nfs/dbraw/zinc/44/16/59/648441659.db2.gz LNVFKAQQUCHIGE-VIFPVBQESA-N 2 2 256.268 0.533 20 0 CCADLP OC1(c2cccnc2)CCC([NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925643115 648450087 /nfs/dbraw/zinc/45/00/87/648450087.db2.gz WAKQEJFTYBWTEX-HWOWSKLDSA-N 2 2 291.395 0.790 20 0 CCADLP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925641262 648450158 /nfs/dbraw/zinc/45/01/58/648450158.db2.gz LPPLCODORYUTPG-LSDHHAIUSA-N 3 2 280.460 0.887 20 0 CCADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)C(C)(C)CO ZINC000926500851 648506913 /nfs/dbraw/zinc/50/69/13/648506913.db2.gz HKWHRHOBFUDULJ-OLZOCXBDSA-N 2 2 258.406 0.830 20 0 CCADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)C(C)(C)CO ZINC000926500851 648506915 /nfs/dbraw/zinc/50/69/15/648506915.db2.gz HKWHRHOBFUDULJ-OLZOCXBDSA-N 2 2 258.406 0.830 20 0 CCADLP O[C@H](C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1(O)CCC1 ZINC000929992930 648809549 /nfs/dbraw/zinc/80/95/49/648809549.db2.gz YKGXQRWLAUBAEM-VXGBXAGGSA-N 2 2 265.357 0.865 20 0 CCADLP O[C@H](C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1(O)CCC1 ZINC000929992930 648809553 /nfs/dbraw/zinc/80/95/53/648809553.db2.gz YKGXQRWLAUBAEM-VXGBXAGGSA-N 2 2 265.357 0.865 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H]2C[C@@H]3COC[C@H]3O2)CC1 ZINC000930066620 648818447 /nfs/dbraw/zinc/81/84/47/648818447.db2.gz HAVXREWTZQKQCO-HZSPNIEDSA-N 2 2 292.383 0.346 20 0 CCADLP Cc1[nH]c(CN2CC[N@@H+](CCO)C[C@H]2C)c(C)[nH+]1 ZINC000930672783 648889242 /nfs/dbraw/zinc/88/92/42/648889242.db2.gz DKOBZMVLNOPVQD-SNVBAGLBSA-N 2 2 252.362 0.525 20 0 CCADLP Cc1[nH]c(CN2CC[N@H+](CCO)C[C@H]2C)c(C)[nH+]1 ZINC000930672783 648889244 /nfs/dbraw/zinc/88/92/44/648889244.db2.gz DKOBZMVLNOPVQD-SNVBAGLBSA-N 2 2 252.362 0.525 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@@H]1CS(N)(=O)=O ZINC000931232022 648968233 /nfs/dbraw/zinc/96/82/33/648968233.db2.gz VQOCBYXZKYRZGV-GFCCVEGCSA-N 2 2 286.401 0.106 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@@H]1CS(N)(=O)=O ZINC000931232022 648968236 /nfs/dbraw/zinc/96/82/36/648968236.db2.gz VQOCBYXZKYRZGV-GFCCVEGCSA-N 2 2 286.401 0.106 20 0 CCADLP C[C@@H]1C[N@H+](CCCn2cc[nH+]c2)C[C@H]1CS(N)(=O)=O ZINC000933702417 649137393 /nfs/dbraw/zinc/13/73/93/649137393.db2.gz NSIYUTWRSWREIS-NEPJUHHUSA-N 2 2 286.401 0.130 20 0 CCADLP C[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)C[C@H]1CS(N)(=O)=O ZINC000933702417 649137395 /nfs/dbraw/zinc/13/73/95/649137395.db2.gz NSIYUTWRSWREIS-NEPJUHHUSA-N 2 2 286.401 0.130 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+](CCCO)CC1)[NH+]1CCCCCC1 ZINC000951192217 649520912 /nfs/dbraw/zinc/52/09/12/649520912.db2.gz CDZDSHLGKMWXSR-HNNXBMFYSA-N 2 2 297.443 0.778 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)[C@H]1CCOC1=O ZINC000246196697 649665398 /nfs/dbraw/zinc/66/53/98/649665398.db2.gz XMBHJTMHQXXUPE-ZDUSSCGKSA-N 2 2 269.389 0.260 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)[C@H]1CCOC1=O ZINC000246196697 649665402 /nfs/dbraw/zinc/66/54/02/649665402.db2.gz XMBHJTMHQXXUPE-ZDUSSCGKSA-N 2 2 269.389 0.260 20 0 CCADLP COc1c(N)[nH+]cnc1NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000250287064 649757471 /nfs/dbraw/zinc/75/74/71/649757471.db2.gz WBMNXOSGPWCDPB-VHSXEESVSA-N 2 2 279.344 0.343 20 0 CCADLP COc1c(N)[nH+]cnc1NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000250287064 649757474 /nfs/dbraw/zinc/75/74/74/649757474.db2.gz WBMNXOSGPWCDPB-VHSXEESVSA-N 2 2 279.344 0.343 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000957900347 649769094 /nfs/dbraw/zinc/76/90/94/649769094.db2.gz SEEVCRZJEJKCJG-CQSZACIVSA-N 2 2 292.383 0.454 20 0 CCADLP C[NH2+]CCN(C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000417915981 649843820 /nfs/dbraw/zinc/84/38/20/649843820.db2.gz CKVMLIGDRSKGNN-LBPRGKRZSA-N 2 2 277.372 0.521 20 0 CCADLP CCc1nc(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)cc(C)[nH+]1 ZINC000342707572 719447181 /nfs/dbraw/zinc/44/71/81/719447181.db2.gz SZSBNMDZXJNDJB-NWDGAFQWSA-N 2 2 262.357 0.867 20 0 CCADLP CCc1nc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)cc(C)[nH+]1 ZINC000342707572 719447185 /nfs/dbraw/zinc/44/71/85/719447185.db2.gz SZSBNMDZXJNDJB-NWDGAFQWSA-N 2 2 262.357 0.867 20 0 CCADLP c1nc(N2CC[NH+](C[C@@H]3CCCO3)CC2)nc2c1C[NH2+]C2 ZINC001165036469 721908835 /nfs/dbraw/zinc/90/88/35/721908835.db2.gz CNVAOSOASKLWOD-ZDUSSCGKSA-N 2 2 289.383 0.381 20 0 CCADLP C[C@H](O)C[NH+]1CCC(NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001230166088 805585631 /nfs/dbraw/zinc/58/56/31/805585631.db2.gz DRWKQNTXWMTNPW-LBPRGKRZSA-N 2 2 294.399 0.314 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC[C@@H]1CCC[N@@H+]1CCO ZINC001266247909 790325720 /nfs/dbraw/zinc/32/57/20/790325720.db2.gz ZLCRUGVADFVVJZ-CYBMUJFWSA-N 2 2 280.372 0.236 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC[C@@H]1CCC[N@H+]1CCO ZINC001266247909 790325706 /nfs/dbraw/zinc/32/57/06/790325706.db2.gz ZLCRUGVADFVVJZ-CYBMUJFWSA-N 2 2 280.372 0.236 20 0 CCADLP COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208617914 790434184 /nfs/dbraw/zinc/43/41/84/790434184.db2.gz PGVZUGMQFPONER-STQMWFEESA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH+](C)C1 ZINC001208617914 790434191 /nfs/dbraw/zinc/43/41/91/790434191.db2.gz PGVZUGMQFPONER-STQMWFEESA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)CNC(=O)[C@@H]1CCC[NH+]1C[C@H]1CCC[N@H+](C)C1 ZINC001208617914 790434195 /nfs/dbraw/zinc/43/41/95/790434195.db2.gz PGVZUGMQFPONER-STQMWFEESA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)CNC(=O)[C@@H]1CCC[NH+]1C[C@H]1CCC[N@@H+](C)C1 ZINC001208617914 790434203 /nfs/dbraw/zinc/43/42/03/790434203.db2.gz PGVZUGMQFPONER-STQMWFEESA-N 2 2 297.399 0.082 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001266322820 790503525 /nfs/dbraw/zinc/50/35/25/790503525.db2.gz OMZRONYYODSYAI-GFCCVEGCSA-N 2 2 250.346 0.941 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001266322820 790503537 /nfs/dbraw/zinc/50/35/37/790503537.db2.gz OMZRONYYODSYAI-GFCCVEGCSA-N 2 2 250.346 0.941 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001266322820 790503547 /nfs/dbraw/zinc/50/35/47/790503547.db2.gz OMZRONYYODSYAI-GFCCVEGCSA-N 2 2 250.346 0.941 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001266322820 790503555 /nfs/dbraw/zinc/50/35/55/790503555.db2.gz OMZRONYYODSYAI-GFCCVEGCSA-N 2 2 250.346 0.941 20 0 CCADLP Cc1ncc(C[NH2+]CCCNC(=O)Cc2c[nH]c[nH+]2)o1 ZINC001167346599 790936182 /nfs/dbraw/zinc/93/61/82/790936182.db2.gz QBKKELMVLNBXOT-UHFFFAOYSA-N 2 2 277.328 0.545 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]C/C=C/Cl ZINC001167349627 790944097 /nfs/dbraw/zinc/94/40/97/790944097.db2.gz DLYDFNGKCIFHDV-HNQUOIGGSA-N 2 2 256.737 0.801 20 0 CCADLP CC(C)[C@@](C)(Nc1[nH+]cccc1N1CC[NH2+]CC1)C(N)=O ZINC001167408048 791034015 /nfs/dbraw/zinc/03/40/15/791034015.db2.gz ZESHQIQMQKCOGF-OAHLLOKOSA-N 2 2 291.399 0.803 20 0 CCADLP C[C@@H](CC(=O)NCCC[NH2+]CCF)n1cc[nH+]c1 ZINC001167428996 791064059 /nfs/dbraw/zinc/06/40/59/791064059.db2.gz OOKPSSARHXQUJI-NSHDSACASA-N 2 2 256.325 0.900 20 0 CCADLP CC[NH2+][C@H](CNC(=O)CCn1cc[nH+]c1)C1CC1 ZINC000721715365 805863000 /nfs/dbraw/zinc/86/30/00/805863000.db2.gz JSDCNHFMPAHBLS-GFCCVEGCSA-N 2 2 250.346 0.778 20 0 CCADLP Cc1[nH+]cn(-c2ccc(-n3cc(C[NH3+])cn3)nn2)c1C ZINC001168258283 814926929 /nfs/dbraw/zinc/92/69/29/814926929.db2.gz MGFZGMVBLBEONI-UHFFFAOYSA-N 2 2 269.312 0.924 20 0 CCADLP Cn1cccc1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000721850663 805950676 /nfs/dbraw/zinc/95/06/76/805950676.db2.gz DVYBOKRPJXLTAV-UHFFFAOYSA-N 2 2 250.346 0.178 20 0 CCADLP C[NH+]1CCN(C2C[NH+](Cc3c[nH]c4nccnc34)C2)CC1 ZINC001232549052 805958044 /nfs/dbraw/zinc/95/80/44/805958044.db2.gz RCMQCXRYDNYJKN-UHFFFAOYSA-N 2 2 286.383 0.341 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCCO)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001277765104 806023682 /nfs/dbraw/zinc/02/36/82/806023682.db2.gz ZOKXTALYHYRPHR-RYUDHWBXSA-N 2 2 280.372 0.304 20 0 CCADLP COCCOC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1c[nH+]cn1C ZINC001277769648 806025741 /nfs/dbraw/zinc/02/57/41/806025741.db2.gz NCTARRUBMLDSHO-STQMWFEESA-N 2 2 280.372 0.694 20 0 CCADLP COCCOC[N@H+]1CC[C@H]2[C@@H]1CCN2c1c[nH+]cn1C ZINC001277769648 806025748 /nfs/dbraw/zinc/02/57/48/806025748.db2.gz NCTARRUBMLDSHO-STQMWFEESA-N 2 2 280.372 0.694 20 0 CCADLP COCCC[NH+]1CCN(Cc2cccc(N)[nH+]2)CC1 ZINC001233371883 806048928 /nfs/dbraw/zinc/04/89/28/806048928.db2.gz MMNSLNIXEHSTHS-UHFFFAOYSA-N 2 2 264.373 0.818 20 0 CCADLP CC[C@@H](F)C[NH2+][C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001266982245 791418596 /nfs/dbraw/zinc/41/85/96/791418596.db2.gz ZYIYYQRKNNDNSM-NXEZZACHSA-N 2 2 256.325 0.795 20 0 CCADLP CC[C@H](F)C[NH2+][C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001266982246 791419111 /nfs/dbraw/zinc/41/91/11/791419111.db2.gz ZYIYYQRKNNDNSM-UWVGGRQHSA-N 2 2 256.325 0.795 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@@H](C[NH2+]CCF)C1 ZINC001267054134 791482554 /nfs/dbraw/zinc/48/25/54/791482554.db2.gz WBNXBPWHIZZYAJ-LBPRGKRZSA-N 2 2 268.336 0.681 20 0 CCADLP C[NH+](C)CC(C)(C)CN1CC[N@@H+](CC(N)=O)C(C)(C)C1 ZINC001207282039 791533189 /nfs/dbraw/zinc/53/31/89/791533189.db2.gz DILXHWQJYQRLGV-UHFFFAOYSA-N 2 2 284.448 0.456 20 0 CCADLP C[NH+](C)CC(C)(C)CN1CC[N@H+](CC(N)=O)C(C)(C)C1 ZINC001207282039 791533179 /nfs/dbraw/zinc/53/31/79/791533179.db2.gz DILXHWQJYQRLGV-UHFFFAOYSA-N 2 2 284.448 0.456 20 0 CCADLP C[NH+](C)CC(C)(C)C[N@@H+]1CCN(CC(N)=O)C(C)(C)C1 ZINC001207282039 791533192 /nfs/dbraw/zinc/53/31/92/791533192.db2.gz DILXHWQJYQRLGV-UHFFFAOYSA-N 2 2 284.448 0.456 20 0 CCADLP C[NH+](C)CC(C)(C)C[N@H+]1CCN(CC(N)=O)C(C)(C)C1 ZINC001207282039 791533200 /nfs/dbraw/zinc/53/32/00/791533200.db2.gz DILXHWQJYQRLGV-UHFFFAOYSA-N 2 2 284.448 0.456 20 0 CCADLP CCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001233978744 806160732 /nfs/dbraw/zinc/16/07/32/806160732.db2.gz WEMSDRNHBNGDGZ-CYBMUJFWSA-N 2 2 294.399 0.912 20 0 CCADLP CCOCC[N@H+]1CC[C@@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001233978744 806160737 /nfs/dbraw/zinc/16/07/37/806160737.db2.gz WEMSDRNHBNGDGZ-CYBMUJFWSA-N 2 2 294.399 0.912 20 0 CCADLP CC1(C[NH3+])C[NH+](C[C@@H](O)COc2ccc(F)cc2)C1 ZINC001246037126 807130158 /nfs/dbraw/zinc/13/01/58/807130158.db2.gz TXXDPXPNWSTDLB-GFCCVEGCSA-N 2 2 268.332 0.846 20 0 CCADLP c1[nH+]c(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)n2ccccc12 ZINC001234982952 806326624 /nfs/dbraw/zinc/32/66/24/806326624.db2.gz SDHJFEMPVKNIHR-HNNXBMFYSA-N 3 2 271.368 0.472 20 0 CCADLP FC1(C[N@@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001235006905 806343869 /nfs/dbraw/zinc/34/38/69/806343869.db2.gz LBIQYTFQONXZLQ-CQSZACIVSA-N 3 2 285.407 0.780 20 0 CCADLP FC1(C[N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)CC[NH2+]CC1 ZINC001235006905 806343878 /nfs/dbraw/zinc/34/38/78/806343878.db2.gz LBIQYTFQONXZLQ-CQSZACIVSA-N 3 2 285.407 0.780 20 0 CCADLP c1ccc(COCC[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235053905 806355792 /nfs/dbraw/zinc/35/57/92/806355792.db2.gz LKBPJNJGTGNUFK-MRXNPFEDSA-N 2 2 275.396 0.841 20 0 CCADLP c1ccc(COCC[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235053905 806355802 /nfs/dbraw/zinc/35/58/02/806355802.db2.gz LKBPJNJGTGNUFK-MRXNPFEDSA-N 2 2 275.396 0.841 20 0 CCADLP Cn1ncc2ccc(C[N@@H+]3CCN[C@]4(CC[NH2+]C4)C3)cc21 ZINC001235054626 806357548 /nfs/dbraw/zinc/35/75/48/806357548.db2.gz QDZCKDAIIOAUKF-INIZCTEOSA-N 2 2 285.395 0.711 20 0 CCADLP Cn1ncc2ccc(C[N@H+]3CCN[C@]4(CC[NH2+]C4)C3)cc21 ZINC001235054626 806357557 /nfs/dbraw/zinc/35/75/57/806357557.db2.gz QDZCKDAIIOAUKF-INIZCTEOSA-N 2 2 285.395 0.711 20 0 CCADLP C(C[N@@H+]1CCCC[C@]12CC[NH2+]C2)[C@@H]1C[NH2+]CCO1 ZINC001235122636 806373356 /nfs/dbraw/zinc/37/33/56/806373356.db2.gz HNZKZHPKKOTISI-ZIAGYGMSSA-N 3 2 253.390 0.583 20 0 CCADLP C(C[N@H+]1CCCC[C@]12CC[NH2+]C2)[C@@H]1C[NH2+]CCO1 ZINC001235122636 806373365 /nfs/dbraw/zinc/37/33/65/806373365.db2.gz HNZKZHPKKOTISI-ZIAGYGMSSA-N 3 2 253.390 0.583 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+]1CC[C@H]2OC[C@@H](C(=O)N3CCCC3)C[C@H]2C1 ZINC001235468924 806429133 /nfs/dbraw/zinc/42/91/33/806429133.db2.gz VHDOWZDPALAMHX-CBBWQLFWSA-N 2 2 295.427 0.683 20 0 CCADLP C[C@@H]([NH3+])C[N@H+]1CC[C@H]2OC[C@@H](C(=O)N3CCCC3)C[C@H]2C1 ZINC001235468924 806429136 /nfs/dbraw/zinc/42/91/36/806429136.db2.gz VHDOWZDPALAMHX-CBBWQLFWSA-N 2 2 295.427 0.683 20 0 CCADLP [NH3+]CC[N@@H+]1C[C@@H]2COC[C@@H](CC(=O)NCC3CC3)[C@@H]2C1 ZINC001235581866 806463977 /nfs/dbraw/zinc/46/39/77/806463977.db2.gz GSJWHHFIFZPKCD-MCIONIFRSA-N 2 2 281.400 0.056 20 0 CCADLP [NH3+]CC[N@H+]1C[C@@H]2COC[C@@H](CC(=O)NCC3CC3)[C@@H]2C1 ZINC001235581866 806463983 /nfs/dbraw/zinc/46/39/83/806463983.db2.gz GSJWHHFIFZPKCD-MCIONIFRSA-N 2 2 281.400 0.056 20 0 CCADLP Cc1cnc2n1CC[N@@H+](C)C21CCN(CC[NH3+])CC1 ZINC001235595687 806469741 /nfs/dbraw/zinc/46/97/41/806469741.db2.gz DDPAFQUVDZJVJQ-UHFFFAOYSA-N 2 2 263.389 0.387 20 0 CCADLP Cc1cnc2n1CC[N@H+](C)C21CCN(CC[NH3+])CC1 ZINC001235595687 806469745 /nfs/dbraw/zinc/46/97/45/806469745.db2.gz DDPAFQUVDZJVJQ-UHFFFAOYSA-N 2 2 263.389 0.387 20 0 CCADLP Cc1cccc(CN2C[C@@H]3C[N@H+](CC[NH3+])C[C@@H]3C2=O)c1 ZINC001235610789 806473719 /nfs/dbraw/zinc/47/37/19/806473719.db2.gz UIHDPEZPIQQSDU-GJZGRUSLSA-N 2 2 273.380 0.844 20 0 CCADLP Cc1cccc(CN2C[C@@H]3C[N@@H+](CC[NH3+])C[C@@H]3C2=O)c1 ZINC001235610789 806473726 /nfs/dbraw/zinc/47/37/26/806473726.db2.gz UIHDPEZPIQQSDU-GJZGRUSLSA-N 2 2 273.380 0.844 20 0 CCADLP C[C@H]([NH3+])C[NH+]1CCC2(C[C@@H]2C(=O)N2CCOCC2)CC1 ZINC001235624307 806474621 /nfs/dbraw/zinc/47/46/21/806474621.db2.gz JTHJPCCKPVYRJS-QWHCGFSZSA-N 2 2 281.400 0.295 20 0 CCADLP C[C@H]([NH3+])CN1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001235634874 806479259 /nfs/dbraw/zinc/47/92/59/806479259.db2.gz FLBXEALGJSPXCF-ZDUSSCGKSA-N 2 2 292.431 0.469 20 0 CCADLP COc1cccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])n1 ZINC001235992748 806524025 /nfs/dbraw/zinc/52/40/25/806524025.db2.gz LHAWIMJPEHWKGU-BVUQATHDSA-N 2 2 263.341 0.496 20 0 CCADLP COc1cccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])n1 ZINC001235992748 806524031 /nfs/dbraw/zinc/52/40/31/806524031.db2.gz LHAWIMJPEHWKGU-BVUQATHDSA-N 2 2 263.341 0.496 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC(n3cnnc3)CC2)O1 ZINC001235963075 806520646 /nfs/dbraw/zinc/52/06/46/806520646.db2.gz TZJRCLBQRPNOLP-LBPRGKRZSA-N 2 2 265.361 0.640 20 0 CCADLP CCOC(=O)c1[nH]ccc1C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235998491 806526821 /nfs/dbraw/zinc/52/68/21/806526821.db2.gz LXYHKLBVVGQAEC-FUNVUKJBSA-N 2 2 293.367 0.597 20 0 CCADLP CCOC(=O)c1[nH]ccc1C[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235998491 806526824 /nfs/dbraw/zinc/52/68/24/806526824.db2.gz LXYHKLBVVGQAEC-FUNVUKJBSA-N 2 2 293.367 0.597 20 0 CCADLP C[C@@H]1C[N@H+](Cc2cccc(CN3CC[NH2+]CC3)c2)C[C@@H]1[NH3+] ZINC001236094141 806543336 /nfs/dbraw/zinc/54/33/36/806543336.db2.gz PHFKQYHBFXCWIE-PBHICJAKSA-N 3 2 288.439 0.871 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2cccc(CN3CC[NH2+]CC3)c2)C[C@@H]1[NH3+] ZINC001236094141 806543343 /nfs/dbraw/zinc/54/33/43/806543343.db2.gz PHFKQYHBFXCWIE-PBHICJAKSA-N 3 2 288.439 0.871 20 0 CCADLP NC(=O)C[N@H+]1C[C@@H]2CC[NH+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001277981567 806568840 /nfs/dbraw/zinc/56/88/40/806568840.db2.gz LVQLMFJXVZDNJD-OKILXGFUSA-N 3 2 291.399 0.012 20 0 CCADLP NC(=O)C[N@@H+]1C[C@@H]2CC[NH+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001277981567 806568845 /nfs/dbraw/zinc/56/88/45/806568845.db2.gz LVQLMFJXVZDNJD-OKILXGFUSA-N 3 2 291.399 0.012 20 0 CCADLP NC(=O)C[NH+]1C[C@@H]2CC[N@@H+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001277981567 806568851 /nfs/dbraw/zinc/56/88/51/806568851.db2.gz LVQLMFJXVZDNJD-OKILXGFUSA-N 3 2 291.399 0.012 20 0 CCADLP NC(=O)C[NH+]1C[C@@H]2CC[N@H+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001277981567 806568854 /nfs/dbraw/zinc/56/88/54/806568854.db2.gz LVQLMFJXVZDNJD-OKILXGFUSA-N 3 2 291.399 0.012 20 0 CCADLP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](CCO)CC2)C1 ZINC001236350778 806581003 /nfs/dbraw/zinc/58/10/03/806581003.db2.gz BHDGODGOFDSTTP-LBPRGKRZSA-N 2 2 270.373 0.328 20 0 CCADLP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](CCO)CC2)C1 ZINC001236350778 806581010 /nfs/dbraw/zinc/58/10/10/806581010.db2.gz BHDGODGOFDSTTP-LBPRGKRZSA-N 2 2 270.373 0.328 20 0 CCADLP CCCCc1[nH]c(CN2C[C@@H]([NH3+])[C@@H](C(=O)OC)C2)c[nH+]1 ZINC001236353784 806583488 /nfs/dbraw/zinc/58/34/88/806583488.db2.gz XKKNIGBDRJDTJL-NWDGAFQWSA-N 2 2 280.372 0.684 20 0 CCADLP CCCCc1[nH]cc(CN2C[C@@H]([NH3+])[C@@H](C(=O)OC)C2)[nH+]1 ZINC001236353784 806583490 /nfs/dbraw/zinc/58/34/90/806583490.db2.gz XKKNIGBDRJDTJL-NWDGAFQWSA-N 2 2 280.372 0.684 20 0 CCADLP CN(C)C(=O)NC1CC[NH+](C[C@@H]2C[NH2+]C(C)(C)O2)CC1 ZINC001236464401 806591166 /nfs/dbraw/zinc/59/11/66/806591166.db2.gz DJLSIULJPGAYKR-LBPRGKRZSA-N 2 2 284.404 0.447 20 0 CCADLP Cc1nc(C)c(C[N@H+](C)CCN2CC[NH+](C)CC2)o1 ZINC001236594431 806596784 /nfs/dbraw/zinc/59/67/84/806596784.db2.gz LADLFUNYUHWXKC-UHFFFAOYSA-N 2 2 266.389 0.971 20 0 CCADLP Cc1nc(C)c(C[N@@H+](C)CCN2CC[NH+](C)CC2)o1 ZINC001236594431 806596789 /nfs/dbraw/zinc/59/67/89/806596789.db2.gz LADLFUNYUHWXKC-UHFFFAOYSA-N 2 2 266.389 0.971 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2CCC(=O)N3CCC[C@@H]3C2)O1 ZINC001236847782 806614754 /nfs/dbraw/zinc/61/47/54/806614754.db2.gz MFNWPCSIFFOWHN-NEPJUHHUSA-N 2 2 267.373 0.408 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2CCC(=O)N3CCC[C@@H]3C2)O1 ZINC001236847782 806614761 /nfs/dbraw/zinc/61/47/61/806614761.db2.gz MFNWPCSIFFOWHN-NEPJUHHUSA-N 2 2 267.373 0.408 20 0 CCADLP C[C@H]1CN(C(=O)NCC[NH+]2CCC([NH3+])CC2)[C@H]1C ZINC001120557682 798864298 /nfs/dbraw/zinc/86/42/98/798864298.db2.gz LQLWOLAVSHEXRV-QWRGUYRKSA-N 2 2 254.378 0.459 20 0 CCADLP C/C(=C\C(=O)N[C@@H]1C[NH+]2CCC1CC2)C[NH+]1CCOCC1 ZINC001120775016 798934796 /nfs/dbraw/zinc/93/47/96/798934796.db2.gz YPOZWMTWGZBNTE-NRMKIYEFSA-N 2 2 293.411 0.475 20 0 CCADLP Cc1sc(C[NH3+])nc1C(=O)NCCC[NH+]1CCOCC1 ZINC001121975607 799111469 /nfs/dbraw/zinc/11/14/69/799111469.db2.gz SPHGTZMJIKZWAK-UHFFFAOYSA-N 2 2 298.412 0.362 20 0 CCADLP Cc1[nH+]ccn1-c1ccc(NC(=O)CNCC[NH3+])cn1 ZINC001121983800 799113742 /nfs/dbraw/zinc/11/37/42/799113742.db2.gz UYEBNRIXXPNNTF-UHFFFAOYSA-N 2 2 274.328 0.063 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC001121986332 799113806 /nfs/dbraw/zinc/11/38/06/799113806.db2.gz HJQWECIMGRNSSH-NEPJUHHUSA-N 2 2 262.357 0.943 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001122123182 799149256 /nfs/dbraw/zinc/14/92/56/799149256.db2.gz PEDARGUFDHFIRE-QKCSRTOESA-N 2 2 262.357 0.989 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001122123182 799149258 /nfs/dbraw/zinc/14/92/58/799149258.db2.gz PEDARGUFDHFIRE-QKCSRTOESA-N 2 2 262.357 0.989 20 0 CCADLP C[NH2+]CCN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001122173881 799161276 /nfs/dbraw/zinc/16/12/76/799161276.db2.gz QMLNNFGSPNBBEU-GFCCVEGCSA-N 2 2 264.373 0.902 20 0 CCADLP C[C@@H](C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1)n1cc[nH+]c1 ZINC001122209110 799170185 /nfs/dbraw/zinc/17/01/85/799170185.db2.gz AVKCZIRIBOVSNG-WOPDTQHZSA-N 2 2 250.346 0.887 20 0 CCADLP COc1ccoc1C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001237871079 806729026 /nfs/dbraw/zinc/72/90/26/806729026.db2.gz PYSHDCBRVKYJLJ-GFCCVEGCSA-N 2 2 295.383 0.930 20 0 CCADLP COc1ccoc1C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001237871079 806729031 /nfs/dbraw/zinc/72/90/31/806729031.db2.gz PYSHDCBRVKYJLJ-GFCCVEGCSA-N 2 2 295.383 0.930 20 0 CCADLP OC[C@@H]1C[N@H+](Cc2cccc3c[nH+]cn32)CC[C@H]1O ZINC001238107204 806750609 /nfs/dbraw/zinc/75/06/09/806750609.db2.gz ONSSBVNVJQSETF-SMDDNHRTSA-N 2 2 261.325 0.509 20 0 CCADLP OC[C@@H]1C[N@@H+](Cc2cccc3c[nH+]cn32)CC[C@H]1O ZINC001238107204 806750612 /nfs/dbraw/zinc/75/06/12/806750612.db2.gz ONSSBVNVJQSETF-SMDDNHRTSA-N 2 2 261.325 0.509 20 0 CCADLP C[C@@]1(CO)C[N@H+](Cc2cccc3c[nH+]cn32)CC[C@H]1O ZINC001238107296 806750696 /nfs/dbraw/zinc/75/06/96/806750696.db2.gz OZUVSIOVBAYUDJ-CABCVRRESA-N 2 2 275.352 0.900 20 0 CCADLP C[C@@]1(CO)C[N@@H+](Cc2cccc3c[nH+]cn32)CC[C@H]1O ZINC001238107296 806750698 /nfs/dbraw/zinc/75/06/98/806750698.db2.gz OZUVSIOVBAYUDJ-CABCVRRESA-N 2 2 275.352 0.900 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001124877963 799642186 /nfs/dbraw/zinc/64/21/86/799642186.db2.gz JCAWINWZDRFMMX-ONGXEEELSA-N 2 2 281.360 0.239 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001124877963 799642188 /nfs/dbraw/zinc/64/21/88/799642188.db2.gz JCAWINWZDRFMMX-ONGXEEELSA-N 2 2 281.360 0.239 20 0 CCADLP NC(=O)C1C[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001139363105 799804978 /nfs/dbraw/zinc/80/49/78/799804978.db2.gz VMLRXCVZSWWGTD-UHFFFAOYSA-N 2 2 256.309 0.789 20 0 CCADLP CCC[NH+]1C[C@@H]2C[NH+](CC3C(=O)N=CNC3=O)C[C@H]2C1 ZINC001140473610 799915524 /nfs/dbraw/zinc/91/55/24/799915524.db2.gz CGSFMEBPVJUURS-GHMZBOCLSA-N 2 2 278.356 0.661 20 0 CCADLP Cc1cc(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)[nH]n1 ZINC001203074902 799955895 /nfs/dbraw/zinc/95/58/95/799955895.db2.gz XXBLXFZFPXFDOP-LSDHHAIUSA-N 2 2 277.416 0.928 20 0 CCADLP Cc1cc(C[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)[nH]n1 ZINC001203074902 799955903 /nfs/dbraw/zinc/95/59/03/799955903.db2.gz XXBLXFZFPXFDOP-LSDHHAIUSA-N 2 2 277.416 0.928 20 0 CCADLP Cc1ncc(C[N@H+](C)CCN2CC[NH+](C)CC2)cn1 ZINC001203117994 800080436 /nfs/dbraw/zinc/08/04/36/800080436.db2.gz UGGYWBWQCDHOEA-UHFFFAOYSA-N 2 2 263.389 0.464 20 0 CCADLP Cc1ncc(C[N@@H+](C)CCN2CC[NH+](C)CC2)cn1 ZINC001203117994 800080440 /nfs/dbraw/zinc/08/04/40/800080440.db2.gz UGGYWBWQCDHOEA-UHFFFAOYSA-N 2 2 263.389 0.464 20 0 CCADLP COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001142918352 800172733 /nfs/dbraw/zinc/17/27/33/800172733.db2.gz AOHQTGJRYVNNHX-CYBMUJFWSA-N 2 2 297.399 0.178 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001142918352 800172737 /nfs/dbraw/zinc/17/27/37/800172737.db2.gz AOHQTGJRYVNNHX-CYBMUJFWSA-N 2 2 297.399 0.178 20 0 CCADLP CCC[N@@H+]1CCCO[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001150054254 800313720 /nfs/dbraw/zinc/31/37/20/800313720.db2.gz QZZYSUZSFYYUHI-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP CCC[N@H+]1CCCO[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001150054254 800313727 /nfs/dbraw/zinc/31/37/27/800313727.db2.gz QZZYSUZSFYYUHI-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[NH2+][C@@H](C)c1cnccn1 ZINC001151115645 800400684 /nfs/dbraw/zinc/40/06/84/800400684.db2.gz ZIJIGWWSLKJEGU-NSHDSACASA-N 2 2 288.355 0.449 20 0 CCADLP Cc1ccnc(C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C)n1 ZINC001152439458 800521245 /nfs/dbraw/zinc/52/12/45/800521245.db2.gz NAXKNCXAGZXGCE-UHFFFAOYSA-N 2 2 279.388 0.331 20 0 CCADLP Cc1ccnc(C[NH2+]CCNC(=O)C[N@H+](C)C(C)C)n1 ZINC001152439458 800521248 /nfs/dbraw/zinc/52/12/48/800521248.db2.gz NAXKNCXAGZXGCE-UHFFFAOYSA-N 2 2 279.388 0.331 20 0 CCADLP C[C@@H](CC[NH+](C)C)C(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001152489947 800528906 /nfs/dbraw/zinc/52/89/06/800528906.db2.gz JRTRZUITTAWRCR-JQWIXIFHSA-N 2 2 268.361 0.017 20 0 CCADLP C[C@@H](CC[NH+](C)C)C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001152489947 800528911 /nfs/dbraw/zinc/52/89/11/800528911.db2.gz JRTRZUITTAWRCR-JQWIXIFHSA-N 2 2 268.361 0.017 20 0 CCADLP Cc1c[nH+]c2n1CCC21CCN(S(=O)(=O)CC[NH3+])CC1 ZINC001239076543 806845884 /nfs/dbraw/zinc/84/58/84/806845884.db2.gz DIWRCPUEKFFJND-UHFFFAOYSA-N 2 2 298.412 0.217 20 0 CCADLP CO[C@H](C[NH2+]CCNC(=O)Cn1cc[nH+]c1)C1CCCC1 ZINC001153495685 800635264 /nfs/dbraw/zinc/63/52/64/800635264.db2.gz NELSBEYTFPEBKJ-CQSZACIVSA-N 2 2 294.399 0.794 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]C[C@H]1C[C@@]12CCOC2 ZINC001153495265 800635292 /nfs/dbraw/zinc/63/52/92/800635292.db2.gz GIVRVPXLGVKKRA-TZMCWYRMSA-N 2 2 278.356 0.016 20 0 CCADLP Cc1nc(CC[NH2+]CCNC(=O)Cn2cc[nH+]c2)cs1 ZINC001153495138 800635483 /nfs/dbraw/zinc/63/54/83/800635483.db2.gz BXZIFGIFYBMFDX-UHFFFAOYSA-N 2 2 293.396 0.597 20 0 CCADLP CO[C@@H](C[NH2+]CCNC(=O)Cn1cc[nH+]c1)C1CCC1 ZINC001153495853 800635650 /nfs/dbraw/zinc/63/56/50/800635650.db2.gz PZYFAMXWNLLOGF-ZDUSSCGKSA-N 2 2 280.372 0.404 20 0 CCADLP C[N@@H+]1CCO[C@H](CNc2ccc3c(n2)CC[NH2+]C3)C1 ZINC001155192995 800926431 /nfs/dbraw/zinc/92/64/31/800926431.db2.gz BVPDRFCHZIGWAM-GFCCVEGCSA-N 2 2 262.357 0.470 20 0 CCADLP C[N@H+]1CCO[C@H](CNc2ccc3c(n2)CC[NH2+]C3)C1 ZINC001155192995 800926437 /nfs/dbraw/zinc/92/64/37/800926437.db2.gz BVPDRFCHZIGWAM-GFCCVEGCSA-N 2 2 262.357 0.470 20 0 CCADLP CCN(CC)c1cc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)nc[nH+]1 ZINC001155505366 800994655 /nfs/dbraw/zinc/99/46/55/800994655.db2.gz LHCCCJASIKERMV-IJLUTSLNSA-N 2 2 277.372 0.722 20 0 CCADLP c1cc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)[nH+]cc1N1CC[NH2+]CC1 ZINC001155585627 801017131 /nfs/dbraw/zinc/01/71/31/801017131.db2.gz DKWIDDMZJYTTGO-SNPRPXQTSA-N 3 2 287.411 0.901 20 0 CCADLP CCOCC[N@H+](CC)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156390775 801160732 /nfs/dbraw/zinc/16/07/32/801160732.db2.gz WBURWYGUIAFSCS-CYBMUJFWSA-N 2 2 296.415 0.826 20 0 CCADLP CCOCC[N@@H+](CC)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156390775 801160735 /nfs/dbraw/zinc/16/07/35/801160735.db2.gz WBURWYGUIAFSCS-CYBMUJFWSA-N 2 2 296.415 0.826 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCNC(=O)C(F)(F)F)CC[NH2+]1 ZINC001246178632 807177558 /nfs/dbraw/zinc/17/75/58/807177558.db2.gz JTXRDOQGLTWHFH-HTQZYQBOSA-N 2 2 253.268 0.395 20 0 CCADLP COc1cnccc1[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C1CC1 ZINC001157082260 801296356 /nfs/dbraw/zinc/29/63/56/801296356.db2.gz JMSVNZXHQVNVTE-SGMGOOAPSA-N 2 2 290.367 0.204 20 0 CCADLP C[C@H](O)CCC[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157265816 801335608 /nfs/dbraw/zinc/33/56/08/801335608.db2.gz YLXGMVFOVUNYRI-LBPRGKRZSA-N 2 2 282.388 0.599 20 0 CCADLP Cc1nc(N(C)C)nc(NC2(C)CC[NH2+]CC2)[nH+]1 ZINC001157401724 801370649 /nfs/dbraw/zinc/37/06/49/801370649.db2.gz QJZLQBOGHDHFMD-UHFFFAOYSA-N 2 2 250.350 0.800 20 0 CCADLP COc1ccccc1[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C1 ZINC001157580029 801426000 /nfs/dbraw/zinc/42/60/00/801426000.db2.gz WLHCDNRHACXEEW-BZPMIXESSA-N 2 2 289.379 0.700 20 0 CCADLP [NH3+]C[C@]1(F)CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001157730964 801466008 /nfs/dbraw/zinc/46/60/08/801466008.db2.gz QCAABBYKYVJQKC-ZDUSSCGKSA-N 2 2 268.336 0.953 20 0 CCADLP CN(C)c1cc(NC(=[NH2+])N2CC[NH+](C)CC2)ncn1 ZINC001157910600 801517515 /nfs/dbraw/zinc/51/75/15/801517515.db2.gz MOOUKVXJXMJHNH-UHFFFAOYSA-N 2 2 263.349 0.137 20 0 CCADLP COC(=O)c1ccc(C)nc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001157915113 801518058 /nfs/dbraw/zinc/51/80/58/801518058.db2.gz PVBIBVHTKZQQJX-UHFFFAOYSA-N 2 2 291.355 0.771 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(-n3ccnc3)nn2)CC1 ZINC001157915005 801518960 /nfs/dbraw/zinc/51/89/60/801518960.db2.gz JSCUOQGBRYSRAO-UHFFFAOYSA-N 2 2 286.343 0.256 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc3c(n2)CC[NH2+]C3)CC1 ZINC001157914316 801518971 /nfs/dbraw/zinc/51/89/71/801518971.db2.gz BIVYEWRQVZTNSX-UHFFFAOYSA-N 3 2 274.372 0.321 20 0 CCADLP COCc1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)nc1 ZINC001157916411 801520479 /nfs/dbraw/zinc/52/04/79/801520479.db2.gz XHHLMTJZVBGEFN-UHFFFAOYSA-N 2 2 263.345 0.822 20 0 CCADLP COC(=O)c1cc(NC(=[NH2+])N2CC[NH+](C)CC2)ncc1C ZINC001157915841 801520902 /nfs/dbraw/zinc/52/09/02/801520902.db2.gz XEKOUDFGVIGZQT-UHFFFAOYSA-N 2 2 291.355 0.771 20 0 CCADLP CCOc1nccc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001157915216 801521231 /nfs/dbraw/zinc/52/12/31/801521231.db2.gz LQNDIDIAAKMAJF-UHFFFAOYSA-N 2 2 264.333 0.469 20 0 CCADLP C[C@@]1(F)CCN(C(=O)C2([NH3+])CC[NH2+]CC2)C[C@@H]1F ZINC001157926335 801522037 /nfs/dbraw/zinc/52/20/37/801522037.db2.gz OUYZFQWSLXWFEW-GXSJLCMTSA-N 2 2 261.316 0.366 20 0 CCADLP COc1ccc2ncc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)nc2c1 ZINC001158203485 801591312 /nfs/dbraw/zinc/59/13/12/801591312.db2.gz AHYPQTVQXUDKQT-SNVBAGLBSA-N 2 2 299.334 0.686 20 0 CCADLP CCOC(=O)c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1 ZINC001158202936 801591650 /nfs/dbraw/zinc/59/16/50/801591650.db2.gz AVCDXAQUDOQEHE-LLVKDONJSA-N 2 2 290.323 0.306 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nc(Cl)ncc1F ZINC001158204285 801592482 /nfs/dbraw/zinc/59/24/82/801592482.db2.gz UQKAEPHAYODKES-ZCFIWIBFSA-N 2 2 271.683 0.317 20 0 CCADLP COc1cc(C)cnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158206246 801594251 /nfs/dbraw/zinc/59/42/51/801594251.db2.gz FVNYYUIQXJHBNF-SNVBAGLBSA-N 2 2 262.313 0.446 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nnc(Cl)c2ccoc21 ZINC001158206337 801594937 /nfs/dbraw/zinc/59/49/37/801594937.db2.gz JYKHDKJKGSGHEQ-SSDOTTSWSA-N 2 2 293.714 0.924 20 0 CCADLP C[C@H]1CCc2nnc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)cc2C1 ZINC001158209551 801597171 /nfs/dbraw/zinc/59/71/71/801597171.db2.gz XWTURSLYVCJWJA-CMPLNLGQSA-N 2 2 287.367 0.649 20 0 CCADLP Nc1cccc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)[nH+]1 ZINC001158260200 801608598 /nfs/dbraw/zinc/60/85/98/801608598.db2.gz YBMZHUCUJWGIES-NSHDSACASA-N 3 2 261.373 0.666 20 0 CCADLP Nc1cccc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)[nH+]1 ZINC001158260200 801608602 /nfs/dbraw/zinc/60/86/02/801608602.db2.gz YBMZHUCUJWGIES-NSHDSACASA-N 3 2 261.373 0.666 20 0 CCADLP COc1nc(C)cc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158260437 801608616 /nfs/dbraw/zinc/60/86/16/801608616.db2.gz DZTWEBHETFHHEL-GFCCVEGCSA-N 2 2 291.399 0.795 20 0 CCADLP COc1nc(C)cc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158260437 801608621 /nfs/dbraw/zinc/60/86/21/801608621.db2.gz DZTWEBHETFHHEL-GFCCVEGCSA-N 2 2 291.399 0.795 20 0 CCADLP CN(C)c1nccnc1N1CCC([N@@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158258940 801608862 /nfs/dbraw/zinc/60/88/62/801608862.db2.gz MLZOHZCHEPUKPG-LBPRGKRZSA-N 2 2 290.415 0.544 20 0 CCADLP CN(C)c1nccnc1N1CCC([N@H+]2CC[C@H]([NH3+])C2)CC1 ZINC001158258940 801608867 /nfs/dbraw/zinc/60/88/67/801608867.db2.gz MLZOHZCHEPUKPG-LBPRGKRZSA-N 2 2 290.415 0.544 20 0 CCADLP Cc1c[nH+]c2n1CCC21CCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC001159381777 801798994 /nfs/dbraw/zinc/79/89/94/801798994.db2.gz GAOKEDNIRBKBDV-LLVKDONJSA-N 2 2 262.357 0.803 20 0 CCADLP CCN(CC)c1cc(NCCN(C)CC[NH3+])nc[nH+]1 ZINC001159437315 801805267 /nfs/dbraw/zinc/80/52/67/801805267.db2.gz IBPOQRRMSGZIIW-UHFFFAOYSA-N 2 2 266.393 0.625 20 0 CCADLP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)[C@@H]1C[NH2+]CCO1 ZINC001159496046 801820620 /nfs/dbraw/zinc/82/06/20/801820620.db2.gz BGDADRHYAPPAIG-OCCSQVGLSA-N 3 2 291.399 0.280 20 0 CCADLP C[C@@H]1CCCN(c2cc(N[C@H]3C[NH2+]C[C@H]3CO)nc[nH+]2)C1 ZINC001159680319 801849969 /nfs/dbraw/zinc/84/99/69/801849969.db2.gz HJPNPBQQZYSGFT-AGIUHOORSA-N 2 2 291.399 0.705 20 0 CCADLP CC[C@@]([NH3+])(CO)Nc1cc(N2CCSCC2)[nH+]cn1 ZINC001159748765 801861813 /nfs/dbraw/zinc/86/18/13/801861813.db2.gz SKIJURCPRRVALS-LBPRGKRZSA-N 2 2 283.401 0.499 20 0 CCADLP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001160453792 801942794 /nfs/dbraw/zinc/94/27/94/801942794.db2.gz DREBUCKFDLKJOC-AWEZNQCLSA-N 3 2 293.415 0.090 20 0 CCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CC[C@H](c2cccnc2)C1 ZINC001160525385 801962098 /nfs/dbraw/zinc/96/20/98/801962098.db2.gz ZBGWNOFIYVNDIP-ZQDZILKHSA-N 2 2 286.379 0.347 20 0 CCADLP C[NH+]1CCN(C(=O)c2ccnc(C3=CCC[NH2+]C3)c2)CC1 ZINC001240650754 806948872 /nfs/dbraw/zinc/94/88/72/806948872.db2.gz WDGPVWBYHZRGNB-UHFFFAOYSA-N 2 2 286.379 0.846 20 0 CCADLP COC(C)(C)[C@H]1CCCN1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001160582280 801975981 /nfs/dbraw/zinc/97/59/81/801975981.db2.gz LSGDQXVUTBNAAI-LLVKDONJSA-N 2 2 269.389 0.483 20 0 CCADLP COc1ccccc1CCN(C)C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001160597183 801979389 /nfs/dbraw/zinc/97/93/89/801979389.db2.gz QEGFTGXFPGFAHY-STQMWFEESA-N 2 2 277.368 0.243 20 0 CCADLP O=C(N1[C@@H]2CCC[C@H]1CC(=O)C2)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160631598 801982856 /nfs/dbraw/zinc/98/28/56/801982856.db2.gz OURQVOGJTVWJLW-OHTBPHCPSA-N 2 2 277.368 0.051 20 0 CCADLP COC(CN(C)C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)OC ZINC001160686030 801999590 /nfs/dbraw/zinc/99/95/90/801999590.db2.gz MGOOLSGATZCZIC-LBPRGKRZSA-N 2 2 281.356 0.336 20 0 CCADLP [NH3+]CCC[C@H]([NH3+])C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001160688675 802000704 /nfs/dbraw/zinc/00/07/04/802000704.db2.gz FEHJNGDGPFTMCJ-QWRGUYRKSA-N 3 2 265.361 0.182 20 0 CCADLP CN(C[C@H]1CC1(C)C)C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001160709275 802007998 /nfs/dbraw/zinc/00/79/98/802007998.db2.gz DYQVYJYFMJDSBD-MWLCHTKSSA-N 2 2 250.346 0.784 20 0 CCADLP CN(C[C@@H]1CC1(C)C)C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160710982 802008356 /nfs/dbraw/zinc/00/83/56/802008356.db2.gz QJSMDIQRVRCTMN-SUNKGSAMSA-N 2 2 251.374 0.442 20 0 CCADLP C[C@H]1CC[NH2+][C@@H](C(=O)N2CCc3[nH+]ccn3CC2)C1 ZINC001160759833 802017069 /nfs/dbraw/zinc/01/70/69/802017069.db2.gz APNNYHUBVACPRB-NWDGAFQWSA-N 2 2 262.357 0.656 20 0 CCADLP COC(=O)C[C@H]1CCCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001160834019 802025140 /nfs/dbraw/zinc/02/51/40/802025140.db2.gz XNEZSRHHQZKMTK-BLTAXRJOSA-N 2 2 295.383 0.010 20 0 CCADLP CC(C)(C)OC(=O)C[C@@H]1CCCN1C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001161009247 802059967 /nfs/dbraw/zinc/05/99/67/802059967.db2.gz CONJDRFYHZDYFP-SRVKXCTJSA-N 2 2 297.399 0.256 20 0 CCADLP CN(Cc1cncs1)C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001161065224 802081425 /nfs/dbraw/zinc/08/14/25/802081425.db2.gz PXDRBJXKGXVHPB-BXKDBHETSA-N 2 2 266.370 0.053 20 0 CCADLP COC(=O)[C@@H]1CCCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)[C@@H]1C ZINC001161117652 802095177 /nfs/dbraw/zinc/09/51/77/802095177.db2.gz PZNFIBUDNYROLJ-LEQHPZHVSA-N 2 2 295.383 0.008 20 0 CCADLP CCOCC[NH2+]CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001161323520 802126668 /nfs/dbraw/zinc/12/66/68/802126668.db2.gz MRIWTSKKFYQMQL-CYBMUJFWSA-N 2 2 294.399 0.578 20 0 CCADLP COC[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001161323370 802127040 /nfs/dbraw/zinc/12/70/40/802127040.db2.gz JQYJDUXORYCSJG-CHWSQXEVSA-N 2 2 294.399 0.576 20 0 CCADLP Cn1cc(C[NH+]2CCN(CCC[NH+](C)C)CC2)cn1 ZINC000336801016 806962171 /nfs/dbraw/zinc/96/21/71/806962171.db2.gz OOMDQLSMSZLDJI-UHFFFAOYSA-N 2 2 265.405 0.489 20 0 CCADLP C[C@]1(C[NH3+])CCCN(C(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)C1 ZINC001161486771 802162950 /nfs/dbraw/zinc/16/29/50/802162950.db2.gz AWPKUSHBVAKOCN-GDBMZVCRSA-N 3 2 290.411 0.846 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CC(C(F)F)C2)cc1 ZINC001161500033 802164592 /nfs/dbraw/zinc/16/45/92/802164592.db2.gz SFNQZOKEURKMGZ-NSHDSACASA-N 2 2 269.295 0.982 20 0 CCADLP COc1c(NCCCn2cc[nH+]c2)ncnc1C1C[NH2+]C1 ZINC001161681953 802199395 /nfs/dbraw/zinc/19/93/95/802199395.db2.gz GOZMKXCKXBSLGZ-UHFFFAOYSA-N 2 2 288.355 0.871 20 0 CCADLP C[NH+]1CCN(CCCNc2nc3[nH]ccc3c[nH+]2)CC1 ZINC001161703958 802203332 /nfs/dbraw/zinc/20/33/32/802203332.db2.gz ULBIFZBBKIHGOI-UHFFFAOYSA-N 2 2 274.372 0.959 20 0 CCADLP [NH3+]C1CC[NH+](CCNc2nccc(NC3CC3)n2)CC1 ZINC001161867528 802234112 /nfs/dbraw/zinc/23/41/12/802234112.db2.gz SDKZDXHMLKPIJK-UHFFFAOYSA-N 2 2 276.388 0.886 20 0 CCADLP CNC(=O)[C@H](CCCC[NH3+])Nc1nc(C)[nH+]c2c1CCC2 ZINC001163445057 802557857 /nfs/dbraw/zinc/55/78/57/802557857.db2.gz MKFKQQNBGYEYDH-ZDUSSCGKSA-N 2 2 291.399 0.929 20 0 CCADLP c1nnc2n1CCN(c1ccc(N3CC[NH2+]CC3)c[nH+]1)C2 ZINC001163679263 802592072 /nfs/dbraw/zinc/59/20/72/802592072.db2.gz BYLJPMINCYUBPY-UHFFFAOYSA-N 2 2 285.355 0.103 20 0 CCADLP CO[C@@H]1CN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)C[C@@H]1OC ZINC001163998823 802649342 /nfs/dbraw/zinc/64/93/42/802649342.db2.gz IYTSFYSIHTZRMU-OKILXGFUSA-N 2 2 292.383 0.341 20 0 CCADLP C[NH+](C)C1(CNc2ncc3[nH]cnc3n2)CC[NH+](C)CC1 ZINC001164206940 802687647 /nfs/dbraw/zinc/68/76/47/802687647.db2.gz LYBAYXWIMPOQTP-UHFFFAOYSA-N 2 2 289.387 0.742 20 0 CCADLP COc1ncncc1NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001164213542 802689762 /nfs/dbraw/zinc/68/97/62/802689762.db2.gz VROOCRUZKDSOOV-UHFFFAOYSA-N 2 2 279.388 0.923 20 0 CCADLP C[NH+]1C[C@@H]2CN(c3cc(N4CCOCC4)[nH+]cn3)C[C@H]2C1 ZINC001165145106 802787636 /nfs/dbraw/zinc/78/76/36/802787636.db2.gz KRCRPEMVDWSZMD-CHWSQXEVSA-N 2 2 289.383 0.311 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CCN1CCCS1(=O)=O ZINC000695182258 811576579 /nfs/dbraw/zinc/57/65/79/811576579.db2.gz HNNDHKVHSWLBMX-GFCCVEGCSA-N 2 2 277.434 0.327 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCN1CCCS1(=O)=O ZINC000695182258 811576588 /nfs/dbraw/zinc/57/65/88/811576588.db2.gz HNNDHKVHSWLBMX-GFCCVEGCSA-N 2 2 277.434 0.327 20 0 CCADLP Cc1nc(-n2cncn2)cc(N2CCC(C3C[NH2+]C3)CC2)[nH+]1 ZINC001165413266 802837345 /nfs/dbraw/zinc/83/73/45/802837345.db2.gz ZIHNRISUCCNINN-UHFFFAOYSA-N 2 2 299.382 0.802 20 0 CCADLP CCN(CCC(N)=O)c1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001166588347 802921101 /nfs/dbraw/zinc/92/11/01/802921101.db2.gz DNDJXOMASDUMLA-UHFFFAOYSA-N 2 2 277.372 0.193 20 0 CCADLP CCCc1cc(N2CC[NH2+][C@@H](C(N)=O)C2)nc(C)[nH+]1 ZINC001166726020 802950399 /nfs/dbraw/zinc/95/03/99/802950399.db2.gz USZRXHAHQBRXMA-LLVKDONJSA-N 2 2 263.345 0.001 20 0 CCADLP CO[C@H](C)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001166960507 802996005 /nfs/dbraw/zinc/99/60/05/802996005.db2.gz IJUOAMGYJYWOKW-JHJVBQTASA-N 2 2 294.399 0.654 20 0 CCADLP COC[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001166968187 803000547 /nfs/dbraw/zinc/00/05/47/803000547.db2.gz NXDYLCSRJPPJAW-JHJVBQTASA-N 2 2 294.399 0.654 20 0 CCADLP CS(=O)(=O)N(c1cc(-n2cc[nH+]c2)ccn1)C1C[NH2+]C1 ZINC001166972020 803003899 /nfs/dbraw/zinc/00/38/99/803003899.db2.gz OINANCBKWKPTET-UHFFFAOYSA-N 2 2 293.352 0.005 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2cncc(F)c2)C1 ZINC001205673886 803154907 /nfs/dbraw/zinc/15/49/07/803154907.db2.gz VGWDYHKCKPEOOS-CYBMUJFWSA-N 2 2 253.321 0.896 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2cncc(F)c2)C1 ZINC001205673886 803154908 /nfs/dbraw/zinc/15/49/08/803154908.db2.gz VGWDYHKCKPEOOS-CYBMUJFWSA-N 2 2 253.321 0.896 20 0 CCADLP CCOC(=O)c1[nH]ccc1C[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205688968 803156577 /nfs/dbraw/zinc/15/65/77/803156577.db2.gz MKVWZPZZDXOBBD-OAHLLOKOSA-N 2 2 295.383 0.867 20 0 CCADLP CCOC(=O)c1[nH]ccc1C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205688968 803156581 /nfs/dbraw/zinc/15/65/81/803156581.db2.gz MKVWZPZZDXOBBD-OAHLLOKOSA-N 2 2 295.383 0.867 20 0 CCADLP CC(C)(CN1C[C@H]([NH3+])CC(F)(F)C1)[NH+]1CCOCC1 ZINC001206117394 803208615 /nfs/dbraw/zinc/20/86/15/803208615.db2.gz NEZTUAXKQOPESL-LLVKDONJSA-N 2 2 277.359 0.766 20 0 CCADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](C[C@H]1CCCO1)CC2 ZINC001207850425 803456157 /nfs/dbraw/zinc/45/61/57/803456157.db2.gz NGSKVCGTTPUTDV-CQSZACIVSA-N 2 2 295.427 0.842 20 0 CCADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](C[C@H]1CCCO1)CC2 ZINC001207850425 803456164 /nfs/dbraw/zinc/45/61/64/803456164.db2.gz NGSKVCGTTPUTDV-CQSZACIVSA-N 2 2 295.427 0.842 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001208300277 803503019 /nfs/dbraw/zinc/50/30/19/803503019.db2.gz XROCATSGOLEOPZ-TZMCWYRMSA-N 2 2 294.399 0.958 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001208300277 803503024 /nfs/dbraw/zinc/50/30/24/803503024.db2.gz XROCATSGOLEOPZ-TZMCWYRMSA-N 2 2 294.399 0.958 20 0 CCADLP C#CCNC(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003621 803550327 /nfs/dbraw/zinc/55/03/27/803550327.db2.gz ZBHHLKIDJKPKRH-CYBMUJFWSA-N 2 2 274.368 0.424 20 0 CCADLP C#CCNC(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003621 803550332 /nfs/dbraw/zinc/55/03/32/803550332.db2.gz ZBHHLKIDJKPKRH-CYBMUJFWSA-N 2 2 274.368 0.424 20 0 CCADLP C[C@H](CC(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1C)n1cc[nH+]c1 ZINC001208995456 803562560 /nfs/dbraw/zinc/56/25/60/803562560.db2.gz JFNGMHPVLGLIRI-MGPQQGTHSA-N 2 2 294.399 0.653 20 0 CCADLP C[C@H](CC(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1C)n1cc[nH+]c1 ZINC001208995456 803562562 /nfs/dbraw/zinc/56/25/62/803562562.db2.gz JFNGMHPVLGLIRI-MGPQQGTHSA-N 2 2 294.399 0.653 20 0 CCADLP C[N@@H+]1C[C@H]2C[C@@H](C1)N(CC(C)(C)[NH+]1CCOCC1)C2 ZINC001276660938 803621028 /nfs/dbraw/zinc/62/10/28/803621028.db2.gz MQGFPLILLCIATF-KGLIPLIRSA-N 2 2 267.417 0.733 20 0 CCADLP C[N@H+]1C[C@H]2C[C@@H](C1)N(CC(C)(C)[NH+]1CCOCC1)C2 ZINC001276660938 803621030 /nfs/dbraw/zinc/62/10/30/803621030.db2.gz MQGFPLILLCIATF-KGLIPLIRSA-N 2 2 267.417 0.733 20 0 CCADLP CCN=c1ccc(N)cn1-c1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210263425 803644405 /nfs/dbraw/zinc/64/44/05/803644405.db2.gz AJVSESRQAYUGFW-UHFFFAOYSA-N 2 2 298.394 0.785 20 0 CCADLP COCC[NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001276681244 803645025 /nfs/dbraw/zinc/64/50/25/803645025.db2.gz PHIZTCXCEOCDIQ-NSHDSACASA-N 2 2 266.345 0.083 20 0 CCADLP CCOCC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001215271467 803787328 /nfs/dbraw/zinc/78/73/28/803787328.db2.gz PTFUVODHRSFKJA-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP FC1(F)C[NH2+]C[C@@H](OC[C@H]2C[C@@H]3CC[NH2+]C[C@@H]3O2)C1 ZINC001217856375 803921218 /nfs/dbraw/zinc/92/12/18/803921218.db2.gz PHCQDOMMKUMJKC-USZNOCQGSA-N 2 2 276.327 0.767 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1nc2ccc(F)cc2o1 ZINC001218496233 803963224 /nfs/dbraw/zinc/96/32/24/803963224.db2.gz FKALMULNXLDGAA-YUMQZZPRSA-N 2 2 264.260 0.452 20 0 CCADLP COc1ccc2[nH]c(NC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])nc2c1 ZINC001218521940 803983364 /nfs/dbraw/zinc/98/33/64/803983364.db2.gz UTLAPQNGJYKGIK-IUCAKERBSA-N 2 2 275.312 0.057 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1cccnc1F ZINC001218544028 803996467 /nfs/dbraw/zinc/99/64/67/803996467.db2.gz BPIQFSLHHKSOCT-UHFFFAOYSA-N 2 2 252.293 0.501 20 0 CCADLP Cc1ncc(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)cn1 ZINC001218575685 804017696 /nfs/dbraw/zinc/01/76/96/804017696.db2.gz JXOCAJMNJYEXNV-CYBMUJFWSA-N 2 2 271.324 0.996 20 0 CCADLP Cc1nc(Cl)ncc1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218585953 804022832 /nfs/dbraw/zinc/02/28/32/804022832.db2.gz CXAHUXAXJQYCBL-MRVPVSSYSA-N 2 2 280.719 0.670 20 0 CCADLP Cn1nc(C(C)(C)C)cc1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218605802 804031467 /nfs/dbraw/zinc/03/14/67/804031467.db2.gz KNOYLQYZTAYIKN-QMMMGPOBSA-N 2 2 253.350 0.332 20 0 CCADLP Cn1ncc2cc(NC(=O)[C@H]([NH3+])Cc3c[nH+]c[nH]3)cnc21 ZINC001218614104 804033331 /nfs/dbraw/zinc/03/33/31/804033331.db2.gz CIXMJGZKJYZHNW-LLVKDONJSA-N 2 2 285.311 0.200 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cn[nH]c(=O)c1Cl ZINC001218633095 804047617 /nfs/dbraw/zinc/04/76/17/804047617.db2.gz PNRCBMCOPQGJSJ-LURJTMIESA-N 2 2 282.691 0.067 20 0 CCADLP Cc1c(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)ncn1C ZINC001218691463 804080429 /nfs/dbraw/zinc/08/04/29/804080429.db2.gz KQFHTMJAXVHBCW-GFCCVEGCSA-N 2 2 273.340 0.939 20 0 CCADLP O=C(Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1)C1(F)C[NH2+]C1 ZINC001218726319 804098173 /nfs/dbraw/zinc/09/81/73/804098173.db2.gz KFDIDNSRCLNDAK-SNVBAGLBSA-N 2 2 280.303 0.072 20 0 CCADLP Cc1cnn(C2CCOCC2)c1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218740596 804101287 /nfs/dbraw/zinc/10/12/87/804101287.db2.gz BTSUMKPZQUOWOI-PWSUYJOCSA-N 2 2 293.371 0.171 20 0 CCADLP [NH3+][C@@H](Cc1c[nH]cn1)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC001218741421 804104259 /nfs/dbraw/zinc/10/42/59/804104259.db2.gz OICPDCFNTKIFIH-LBPRGKRZSA-N 2 2 297.322 0.499 20 0 CCADLP [NH3+][C@@H](Cc1cnc[nH]1)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC001218741421 804104265 /nfs/dbraw/zinc/10/42/65/804104265.db2.gz OICPDCFNTKIFIH-LBPRGKRZSA-N 2 2 297.322 0.499 20 0 CCADLP Nc1nc(Cl)ccc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218768547 804115924 /nfs/dbraw/zinc/11/59/24/804115924.db2.gz NVTVIXPXADFKCE-ZETCQYMHSA-N 2 2 280.719 0.549 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccc(C(F)F)cn2)C1 ZINC001218792073 804122474 /nfs/dbraw/zinc/12/24/74/804122474.db2.gz ROCGAXNJVPXHCR-SFYZADRCSA-N 2 2 256.256 0.647 20 0 CCADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218812766 804132126 /nfs/dbraw/zinc/13/21/26/804132126.db2.gz ZZIUUDZIOFGBGG-CQSZACIVSA-N 3 2 297.362 0.620 20 0 CCADLP Cc1ccc2c(c1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)CNC2=O ZINC001218820262 804134065 /nfs/dbraw/zinc/13/40/65/804134065.db2.gz SCJZKUFDDKHBCL-LBPRGKRZSA-N 2 2 299.334 0.470 20 0 CCADLP CC(C)OC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)cc1 ZINC001218843870 804136590 /nfs/dbraw/zinc/13/65/90/804136590.db2.gz GXOICDPNKHZWAU-AAEUAGOBSA-N 2 2 291.351 0.880 20 0 CCADLP COCCCOc1ccc(F)cc1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218852733 804139329 /nfs/dbraw/zinc/13/93/29/804139329.db2.gz CVZWYSCGPDFNPK-NSHDSACASA-N 2 2 299.346 0.856 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cccc3c2OCCC3)C1 ZINC001218974637 804171959 /nfs/dbraw/zinc/17/19/59/804171959.db2.gz LMKUJXFJSVKNDR-PWSUYJOCSA-N 2 2 261.325 0.639 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc(O)cc(Cl)c1 ZINC001218980934 804173012 /nfs/dbraw/zinc/17/30/12/804173012.db2.gz BSUBGPJXOCGSRF-UWVGGRQHSA-N 2 2 255.705 0.531 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001218995247 804178871 /nfs/dbraw/zinc/17/88/71/804178871.db2.gz DLESKBJJOJKWRK-YPMHNXCESA-N 3 2 262.357 0.378 20 0 CCADLP [NH3+]C1(C(=O)Nc2cccc3c2C[NH2+]C3)CC[NH2+]CC1 ZINC001218993129 804179188 /nfs/dbraw/zinc/17/91/88/804179188.db2.gz KBINQXWKJZAAAE-UHFFFAOYSA-N 3 2 260.341 0.309 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccc([C@@H]3CC[NH2+]C3)cc2)C1 ZINC001218997395 804179737 /nfs/dbraw/zinc/17/97/37/804179737.db2.gz TVMSFYFENIZFGF-BZPMIXESSA-N 3 2 274.368 0.391 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(-n2ccccc2=O)cc1 ZINC001219017238 804182017 /nfs/dbraw/zinc/18/20/17/804182017.db2.gz VBBJYZRJVMIICV-KBPBESRZSA-N 2 2 298.346 0.323 20 0 CCADLP Nc1nc2cc(NC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)ccc2s1 ZINC001219247557 804248308 /nfs/dbraw/zinc/24/83/08/804248308.db2.gz IZIMEFNEIIEELB-MUWHJKNJSA-N 2 2 277.353 0.506 20 0 CCADLP O=C(Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2)[C@@H]1COCC[NH2+]1 ZINC001219537665 804340638 /nfs/dbraw/zinc/34/06/38/804340638.db2.gz OOFNSCCODVUJOB-XHVZSJERSA-N 2 2 289.335 0.061 20 0 CCADLP Cc1cccnc1CCCNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219571700 804353958 /nfs/dbraw/zinc/35/39/58/804353958.db2.gz MIFKGKIYWPERND-XJKSGUPXSA-N 2 2 288.395 0.390 20 0 CCADLP Cc1cccnc1CCCNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219571698 804354229 /nfs/dbraw/zinc/35/42/29/804354229.db2.gz MIFKGKIYWPERND-CJNGLKHVSA-N 2 2 288.395 0.390 20 0 CCADLP Cc1cc(CNC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)no1 ZINC001219603826 804371202 /nfs/dbraw/zinc/37/12/02/804371202.db2.gz DWLYLZWTIKUWLX-CYBMUJFWSA-N 2 2 274.324 0.872 20 0 CCADLP C[C@H]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219673356 804402147 /nfs/dbraw/zinc/40/21/47/804402147.db2.gz HQUSDHJQYCCGNJ-HTVCTNPSSA-N 2 2 265.401 0.879 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])Cc2ccsc2)C1 ZINC001219694941 804406300 /nfs/dbraw/zinc/40/63/00/804406300.db2.gz OBULAJFOELCQST-NEPJUHHUSA-N 2 2 283.397 0.065 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])Cc2ccsc2)C1 ZINC001219694941 804406304 /nfs/dbraw/zinc/40/63/04/804406304.db2.gz OBULAJFOELCQST-NEPJUHHUSA-N 2 2 283.397 0.065 20 0 CCADLP Cc1ccn2c(CNC(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4[NH2+]3)cnc2c1 ZINC001219709743 804411280 /nfs/dbraw/zinc/41/12/80/804411280.db2.gz PFGOXDUHHYENQT-FPMFFAJLSA-N 2 2 299.378 0.209 20 0 CCADLP O=C(NC1CC2(C1)CC[NH2+]CC2)[C@H](CO)n1cc[nH+]c1 ZINC001219773409 804419348 /nfs/dbraw/zinc/41/93/48/804419348.db2.gz RKQZTRNIQKRUBF-LBPRGKRZSA-N 2 2 278.356 0.065 20 0 CCADLP N=C(NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C12CC3CC(CC(C3)C1)C2 ZINC001219920717 804447982 /nfs/dbraw/zinc/44/79/82/804447982.db2.gz JSUPWRQMPCIJMX-OPLYUGDSSA-N 2 2 290.411 0.985 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1Cc2ccccc2O1 ZINC001219923597 804449000 /nfs/dbraw/zinc/44/90/00/804449000.db2.gz SSRVWEAZXNMZFS-STQMWFEESA-N 2 2 286.335 0.399 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCCOc2ccccc2F)C1 ZINC001219936770 804451862 /nfs/dbraw/zinc/45/18/62/804451862.db2.gz TURSXLDQEINNIH-KOLCDFICSA-N 2 2 267.304 0.010 20 0 CCADLP Cc1c[nH]c(CCNC(=O)[C@@H]2CC[NH2+]C[C@@H]2F)[nH+]1 ZINC001219952671 804456343 /nfs/dbraw/zinc/45/63/43/804456343.db2.gz ZPSGDMUZTSAJOB-ZJUUUORDSA-N 2 2 254.309 0.324 20 0 CCADLP O=C(NCCCc1ccncc1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219980764 804465036 /nfs/dbraw/zinc/46/50/36/804465036.db2.gz OTCQZSNNBGWSON-ZFWWWQNUSA-N 2 2 274.368 0.082 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NC[C@H]2CCOC2)cc1 ZINC001220020477 804475152 /nfs/dbraw/zinc/47/51/52/804475152.db2.gz KGKMRTPADKGURM-MFKMUULPSA-N 2 2 263.341 0.411 20 0 CCADLP CC[C@@H](C)C[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220103846 804501802 /nfs/dbraw/zinc/50/18/02/804501802.db2.gz LLDXBEHLMJLOCJ-MCIONIFRSA-N 2 2 294.399 0.481 20 0 CCADLP CC[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220103846 804501805 /nfs/dbraw/zinc/50/18/05/804501805.db2.gz LLDXBEHLMJLOCJ-MCIONIFRSA-N 2 2 294.399 0.481 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NCc2cc[nH]c(=O)c2)cc1 ZINC001220147868 804514868 /nfs/dbraw/zinc/51/48/68/804514868.db2.gz KLPWWJLIGCIEBH-CYBMUJFWSA-N 2 2 286.335 0.676 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)NCC(=O)c1c[nH]c2ccccc12 ZINC001220197874 804534137 /nfs/dbraw/zinc/53/41/37/804534137.db2.gz VDVHCRMUOJBRLU-NSHDSACASA-N 2 2 274.324 0.143 20 0 CCADLP CC1(C)C[C@@H](NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CCO1 ZINC001220218739 804540367 /nfs/dbraw/zinc/54/03/67/804540367.db2.gz DBNFREVYBPXARE-ONGXEEELSA-N 2 2 266.345 0.353 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCCc2cccnc21 ZINC001220225880 804542524 /nfs/dbraw/zinc/54/25/24/804542524.db2.gz KSELVCGAMZZMMX-OLZOCXBDSA-N 2 2 285.351 0.868 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC23CCOCC3)cc1 ZINC001220331869 804576049 /nfs/dbraw/zinc/57/60/49/804576049.db2.gz DQYHWFDZBPOMIJ-UONOGXRCSA-N 2 2 289.379 0.944 20 0 CCADLP CC(C)(NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)c1cccc(F)c1 ZINC001220394676 804594658 /nfs/dbraw/zinc/59/46/58/804594658.db2.gz LNADAWVUQJTNOL-NEPJUHHUSA-N 2 2 265.332 0.866 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@@H](O)C1CCCCC1 ZINC001220467213 804610340 /nfs/dbraw/zinc/61/03/40/804610340.db2.gz PWLMRSUKJXWFFO-UONOGXRCSA-N 2 2 294.399 0.347 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](O)C1CCCCC1 ZINC001220467489 804610898 /nfs/dbraw/zinc/61/08/98/804610898.db2.gz YCHWCSBWSGNOOW-STQMWFEESA-N 2 2 280.372 0.337 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC001220500860 804617063 /nfs/dbraw/zinc/61/70/63/804617063.db2.gz LPMPAYCUURYRTB-UONOGXRCSA-N 3 2 287.367 0.106 20 0 CCADLP Cn1nc(CNC(=O)C2([NH3+])CC[NH2+]CC2)c2ccccc21 ZINC001220632365 804640891 /nfs/dbraw/zinc/64/08/91/804640891.db2.gz VKRCKWWHZOPXGK-UHFFFAOYSA-N 2 2 287.367 0.270 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C/C=C/Cl)C[C@@H]1O ZINC001220830721 804677385 /nfs/dbraw/zinc/67/73/85/804677385.db2.gz GJFKZURQVIGBQP-RVAOTSRCSA-N 2 2 289.807 0.242 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C/C=C/Cl)C[C@@H]1O ZINC001220830721 804677387 /nfs/dbraw/zinc/67/73/87/804677387.db2.gz GJFKZURQVIGBQP-RVAOTSRCSA-N 2 2 289.807 0.242 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001220830721 804677396 /nfs/dbraw/zinc/67/73/96/804677396.db2.gz GJFKZURQVIGBQP-RVAOTSRCSA-N 2 2 289.807 0.242 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](C/C=C\Cl)C[C@@H]1O ZINC001220830720 804677713 /nfs/dbraw/zinc/67/77/13/804677713.db2.gz GJFKZURQVIGBQP-JYYSYOFASA-N 2 2 289.807 0.242 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](C/C=C\Cl)C[C@@H]1O ZINC001220830720 804677715 /nfs/dbraw/zinc/67/77/15/804677715.db2.gz GJFKZURQVIGBQP-JYYSYOFASA-N 2 2 289.807 0.242 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@@H]1O ZINC001220830720 804677720 /nfs/dbraw/zinc/67/77/20/804677720.db2.gz GJFKZURQVIGBQP-JYYSYOFASA-N 2 2 289.807 0.242 20 0 CCADLP COCc1ccc(CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)cc1 ZINC001220934077 804701604 /nfs/dbraw/zinc/70/16/04/804701604.db2.gz JCCPXQXIYJTERX-FMKPAKJESA-N 2 2 289.379 0.671 20 0 CCADLP COCc1ccc(CNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)cc1 ZINC001220934806 804703503 /nfs/dbraw/zinc/70/35/03/804703503.db2.gz WUNYEOJFHMXFIG-ZBFHGGJFSA-N 2 2 289.379 0.401 20 0 CCADLP CC1(C)C[C@@H](CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CCO1 ZINC001220953367 804706524 /nfs/dbraw/zinc/70/65/24/804706524.db2.gz OJLYMVRVNFQICY-YFCNSXCBSA-N 2 2 281.400 0.530 20 0 CCADLP O=C(C[C@H]1COCC[NH2+]1)NCc1c[nH+]cn1C1CCC1 ZINC001221023361 804721895 /nfs/dbraw/zinc/72/18/95/804721895.db2.gz IXRIMBHMZDMTRO-NSHDSACASA-N 2 2 278.356 0.603 20 0 CCADLP N[C@@]1(C(=O)NCc2c[nH+]cn2C2CCC2)CCC[NH2+]C1 ZINC001221023317 804721916 /nfs/dbraw/zinc/72/19/16/804721916.db2.gz IACVVRGUGXJDOS-AWEZNQCLSA-N 2 2 277.372 0.305 20 0 CCADLP C[N@@H+]1CCC[C@@](C)(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)C1 ZINC001221243996 804755994 /nfs/dbraw/zinc/75/59/94/804755994.db2.gz ODYIAHJSJMULGJ-GDBMZVCRSA-N 3 2 290.411 0.859 20 0 CCADLP C[N@H+]1CCC[C@@](C)(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)C1 ZINC001221243996 804756000 /nfs/dbraw/zinc/75/60/00/804756000.db2.gz ODYIAHJSJMULGJ-GDBMZVCRSA-N 3 2 290.411 0.859 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@@H](O)c1cc2ccccc2o1 ZINC001221328585 804776941 /nfs/dbraw/zinc/77/69/41/804776941.db2.gz AUGBROBSMIRZFH-SDDRHHMPSA-N 2 2 289.335 0.129 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@H]2CCc3c2c(F)ccc3F)C1 ZINC001221363691 804786690 /nfs/dbraw/zinc/78/66/90/804786690.db2.gz PQTRKQWXFYELDC-MKCWBWRRSA-N 2 2 281.306 0.758 20 0 CCADLP CCCC(C[NH3+])(CCC)NC(=O)C[C@H]([NH3+])C(=O)OC ZINC001221371977 804790848 /nfs/dbraw/zinc/79/08/48/804790848.db2.gz IZZOFIREIXKWKI-JTQLQIEISA-N 2 2 273.377 0.291 20 0 CCADLP CC(C)[C@H](NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)c1cccnc1 ZINC001221383300 804796702 /nfs/dbraw/zinc/79/67/02/804796702.db2.gz ZICAYZOYKJBROX-XQLPTFJDSA-N 2 2 288.395 0.845 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@@H](c2ccccc2)c2cccnn2)C1 ZINC001221383930 804797501 /nfs/dbraw/zinc/79/75/01/804797501.db2.gz BAFKHKUMMOXBCV-SNPRPXQTSA-N 2 2 297.362 0.371 20 0 CCADLP O=C(CC1CC[NH2+]CC1)NCCOc1cc[nH+]cc1 ZINC001221393673 804798277 /nfs/dbraw/zinc/79/82/77/804798277.db2.gz LSHAODUKMGFJDB-UHFFFAOYSA-N 2 2 263.341 0.966 20 0 CCADLP O=C(NCCOc1cc[nH+]cc1)C1CC2(C[NH2+]C2)C1 ZINC001221394271 804801172 /nfs/dbraw/zinc/80/11/72/804801172.db2.gz YWJJRNWWLBMBOE-UHFFFAOYSA-N 2 2 261.325 0.576 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)C2([NH3+])CC[NH2+]CC2)[C@H](C)C1 ZINC001221405567 804805816 /nfs/dbraw/zinc/80/58/16/804805816.db2.gz BBVZIOIXTQACRT-CHWSQXEVSA-N 3 2 282.432 0.302 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](NC(=O)C2([NH3+])CC[NH2+]CC2)[C@H](C)C1 ZINC001221405567 804805822 /nfs/dbraw/zinc/80/58/22/804805822.db2.gz BBVZIOIXTQACRT-CHWSQXEVSA-N 3 2 282.432 0.302 20 0 CCADLP CC(C)[C@@H](NC(=O)C1([NH3+])CC[NH2+]CC1)c1cccc(N)n1 ZINC001221404707 804806133 /nfs/dbraw/zinc/80/61/33/804806133.db2.gz DMOFRLOWJAKHLK-CYBMUJFWSA-N 2 2 291.399 0.558 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@H+]1CCCF ZINC001276986141 805063863 /nfs/dbraw/zinc/06/38/63/805063863.db2.gz RAUBYRWXMRZUGY-NSHDSACASA-N 2 2 254.309 0.433 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@@H+]1CCCF ZINC001276986141 805063867 /nfs/dbraw/zinc/06/38/67/805063867.db2.gz RAUBYRWXMRZUGY-NSHDSACASA-N 2 2 254.309 0.433 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]CCCO ZINC001228800531 805481214 /nfs/dbraw/zinc/48/12/14/805481214.db2.gz OBJADTSBTMYDFI-CHWSQXEVSA-N 2 2 280.372 0.352 20 0 CCADLP C[C@H](CC(=O)NC1CC[NH+](CCO)CC1)n1cc[nH+]c1 ZINC001229393689 805528620 /nfs/dbraw/zinc/52/86/20/805528620.db2.gz URFASIVKUGCBDC-GFCCVEGCSA-N 2 2 280.372 0.407 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+]C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001245984048 807107311 /nfs/dbraw/zinc/10/73/11/807107311.db2.gz PQCVCBTXKDKPDV-MXASKKJJSA-N 3 2 291.439 0.753 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1C ZINC001245986848 807108795 /nfs/dbraw/zinc/10/87/95/807108795.db2.gz ZXXRTZYGDSTEOR-MELADBBJSA-N 3 2 257.422 0.524 20 0 CCADLP O[C@@H](C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC001246027197 807125372 /nfs/dbraw/zinc/12/53/72/807125372.db2.gz PMAUCUUNYOKSDM-GJZGRUSLSA-N 2 2 279.359 0.496 20 0 CCADLP O[C@@H](C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC001246027197 807125376 /nfs/dbraw/zinc/12/53/76/807125376.db2.gz PMAUCUUNYOKSDM-GJZGRUSLSA-N 2 2 279.359 0.496 20 0 CCADLP CC(C)(C)OC(=O)[C@H](O)C[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246027348 807125412 /nfs/dbraw/zinc/12/54/12/807125412.db2.gz XYCPHGKICLJZEC-VHSXEESVSA-N 2 2 294.342 0.605 20 0 CCADLP CC(C)(C)OC(=O)[C@H](O)C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246027348 807125413 /nfs/dbraw/zinc/12/54/13/807125413.db2.gz XYCPHGKICLJZEC-VHSXEESVSA-N 2 2 294.342 0.605 20 0 CCADLP CC1(C[NH3+])C[NH+](C[C@H](O)COc2cccc(F)c2)C1 ZINC001246035639 807130249 /nfs/dbraw/zinc/13/02/49/807130249.db2.gz PZWZOYRPUHMKKF-LBPRGKRZSA-N 2 2 268.332 0.846 20 0 CCADLP [NH3+][C@]12CC[C@H]1C[N@H+](C[C@@H](O)COc1ccccc1)C2 ZINC001246048456 807133850 /nfs/dbraw/zinc/13/38/50/807133850.db2.gz XHXKAFZEBUVWEB-GUTXKFCHSA-N 2 2 262.353 0.849 20 0 CCADLP [NH3+][C@]12CC[C@H]1C[N@@H+](C[C@@H](O)COc1ccccc1)C2 ZINC001246048456 807133856 /nfs/dbraw/zinc/13/38/56/807133856.db2.gz XHXKAFZEBUVWEB-GUTXKFCHSA-N 2 2 262.353 0.849 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(c3ncccn3)C2)C[NH2+]1 ZINC001246079936 807145242 /nfs/dbraw/zinc/14/52/42/807145242.db2.gz LLRYHGUTWQBKNU-FRRDWIJNSA-N 2 2 261.373 0.785 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N2C[C@H]([NH3+])Cc3ccccc32)C[NH2+]1 ZINC001246113748 807156486 /nfs/dbraw/zinc/15/64/86/807156486.db2.gz KIEHZEMJZBXLPR-AGIUHOORSA-N 2 2 275.352 0.280 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H](C)C[NH2+]2)CCN1 ZINC001246116747 807158237 /nfs/dbraw/zinc/15/82/37/807158237.db2.gz XSHNRQFUDVJQRT-LPWJVIDDSA-N 2 2 269.389 0.258 20 0 CCADLP CCOC(=O)N1CC[C@@H]([NH2+][C@H]2C[NH2+]CC23CC3)C1 ZINC001246128703 807161384 /nfs/dbraw/zinc/16/13/84/807161384.db2.gz FBUFKSDZNZVXIO-MNOVXSKESA-N 2 2 253.346 0.559 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]CC23CC3)CO1 ZINC001246128763 807161412 /nfs/dbraw/zinc/16/14/12/807161412.db2.gz FFXWRTZAIVDZLM-GRYCIOLGSA-N 2 2 268.357 0.439 20 0 CCADLP C([NH2+][C@@H]1CCC[NH2+]C1)[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001246133550 807162907 /nfs/dbraw/zinc/16/29/07/807162907.db2.gz KDYMQXXQOQHRAY-OLZOCXBDSA-N 3 2 253.390 0.629 20 0 CCADLP COC(=O)CC[C@@H](C)[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246152452 807168691 /nfs/dbraw/zinc/16/86/91/807168691.db2.gz YVDLDYQTDIBQGQ-CHWSQXEVSA-N 3 2 283.416 0.792 20 0 CCADLP NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+]C1CC[NH2+]CC1 ZINC001246243025 807196582 /nfs/dbraw/zinc/19/65/82/807196582.db2.gz NMUIGJVOUFWYBY-ZDUSSCGKSA-N 2 2 263.341 0.130 20 0 CCADLP CCC[NH2+]CC[NH2+][C@@H]1CC[C@@H](C(=O)OCC)NC1 ZINC001246267056 807202471 /nfs/dbraw/zinc/20/24/71/807202471.db2.gz FFPYVBWRJJFIOK-NEPJUHHUSA-N 2 2 257.378 0.259 20 0 CCADLP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1C[NH2+]C[C@@H]1CO)C2 ZINC001246304075 807215508 /nfs/dbraw/zinc/21/55/08/807215508.db2.gz GSTIORHHEJXQEX-NFAWXSAZSA-N 2 2 262.353 0.332 20 0 CCADLP CC[C@@]1(C(=O)OC)C[C@@H](N[C@H]2CCC[NH2+][C@@H]2C)C[NH2+]1 ZINC001246332981 807224722 /nfs/dbraw/zinc/22/47/22/807224722.db2.gz TYCWZYTWTCXSPB-NMKXLXIOSA-N 2 2 269.389 0.400 20 0 CCADLP CC[C@@H]1C[C@H]([NH2+]CCN2CC[NH2+]CC2=O)C[C@H](CC)[NH2+]1 ZINC001246356910 807232519 /nfs/dbraw/zinc/23/25/19/807232519.db2.gz QWKQRENRIHWLRF-WDNDVIMCSA-N 3 2 282.432 0.317 20 0 CCADLP C[C@H]1CC[C@H]([NH2+][C@H]2CCN(C(=O)C3CCOCC3)C2)C[NH2+]1 ZINC001246361394 807232939 /nfs/dbraw/zinc/23/29/39/807232939.db2.gz OALFQMJEGWRZAE-QEJZJMRPSA-N 2 2 295.427 0.744 20 0 CCADLP CCOC(=O)[C@H](N)C[NH2+][C@@H](C)CC[NH+](CC)CC ZINC001246414808 807247044 /nfs/dbraw/zinc/24/70/44/807247044.db2.gz CBKLJZOEVDLZMM-NWDGAFQWSA-N 2 2 259.394 0.587 20 0 CCADLP CCOC(=O)CN1CC[NH+]([C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246537596 807276958 /nfs/dbraw/zinc/27/69/58/807276958.db2.gz KYLXWPMOWDDNBG-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@@H]([N@@H+]2CCC[C@@H]([NH3+])CC2)CN1 ZINC001246542984 807278868 /nfs/dbraw/zinc/27/88/68/807278868.db2.gz QQMKERLQOSFDQF-YRGRVCCFSA-N 2 2 269.389 0.483 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@@H]([N@H+]2CCC[C@@H]([NH3+])CC2)CN1 ZINC001246542984 807278874 /nfs/dbraw/zinc/27/88/74/807278874.db2.gz QQMKERLQOSFDQF-YRGRVCCFSA-N 2 2 269.389 0.483 20 0 CCADLP c1cnc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cn1 ZINC001246542035 807279036 /nfs/dbraw/zinc/27/90/36/807279036.db2.gz UZTOJZMFLBPPFH-PBWFPOADSA-N 2 2 273.384 0.882 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H]2C)C[C@H]1C(=O)OC ZINC001246548380 807281960 /nfs/dbraw/zinc/28/19/60/807281960.db2.gz IFSLLTXHLJAZCG-NZEXEKPDSA-N 2 2 298.383 0.539 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@@H]([NH3+])[C@H]2C)C[C@H]1C(=O)OC ZINC001246548380 807281968 /nfs/dbraw/zinc/28/19/68/807281968.db2.gz IFSLLTXHLJAZCG-NZEXEKPDSA-N 2 2 298.383 0.539 20 0 CCADLP COC(=O)CC1CCC([N@@H+]2C[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246555133 807284651 /nfs/dbraw/zinc/28/46/51/807284651.db2.gz DRLLZIAHZRAMAO-KIDURHIOSA-N 2 2 256.346 0.112 20 0 CCADLP COC(=O)CC1CCC([N@H+]2C[C@@H]([NH3+])[C@H](O)C2)CC1 ZINC001246555133 807284653 /nfs/dbraw/zinc/28/46/53/807284653.db2.gz DRLLZIAHZRAMAO-KIDURHIOSA-N 2 2 256.346 0.112 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CCN1 ZINC001246589689 807311878 /nfs/dbraw/zinc/31/18/78/807311878.db2.gz TVIZPQRUNYEZRW-WYUUTHIRSA-N 2 2 273.352 0.041 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CCN1 ZINC001246589689 807311870 /nfs/dbraw/zinc/31/18/70/807311870.db2.gz TVIZPQRUNYEZRW-WYUUTHIRSA-N 2 2 273.352 0.041 20 0 CCADLP CC(=O)N1CC[C@H]([N@@H+]2CCC[C@]23CCC[NH2+]C3)C1 ZINC001246608315 807321327 /nfs/dbraw/zinc/32/13/27/807321327.db2.gz JCVDLSNZYNPPKK-KBPBESRZSA-N 2 2 251.374 0.825 20 0 CCADLP CC(=O)N1CC[C@H]([N@H+]2CCC[C@]23CCC[NH2+]C3)C1 ZINC001246608315 807321335 /nfs/dbraw/zinc/32/13/35/807321335.db2.gz JCVDLSNZYNPPKK-KBPBESRZSA-N 2 2 251.374 0.825 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)CN1 ZINC001246662250 807349595 /nfs/dbraw/zinc/34/95/95/807349595.db2.gz YPYZFNGUDRALON-RFGFWPKPSA-N 2 2 281.400 0.354 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)CN1 ZINC001246662250 807349606 /nfs/dbraw/zinc/34/96/06/807349606.db2.gz YPYZFNGUDRALON-RFGFWPKPSA-N 2 2 281.400 0.354 20 0 CCADLP CC(C)(C(N)=O)C1CC[NH+]([C@@H]2CCC[NH2+]C2)CC1 ZINC001246822829 807397838 /nfs/dbraw/zinc/39/78/38/807397838.db2.gz MGDXUYZEZCBQMH-GFCCVEGCSA-N 2 2 253.390 0.962 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([NH+]2CCC(n3cc[nH+]c3)CC2)CN1 ZINC001246843942 807403901 /nfs/dbraw/zinc/40/39/01/807403901.db2.gz HEWKKMLLOWVAHB-KGLIPLIRSA-N 2 2 292.383 0.814 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N(CC(C)(C)C)C2CC[NH2+]CC2)C[NH2+]1 ZINC001246946434 807437935 /nfs/dbraw/zinc/43/79/35/807437935.db2.gz MUGSLVFJIMWFGJ-KBPBESRZSA-N 2 2 297.443 0.990 20 0 CCADLP C[C@@H]1C[NH+](C2CN(C3CC[NH2+]CC3)C2)C[C@@H](C)O1 ZINC001246985805 807447609 /nfs/dbraw/zinc/44/76/09/807447609.db2.gz DFSOKLJTDXGWCJ-VXGBXAGGSA-N 2 2 253.390 0.532 20 0 CCADLP FC(F)(F)[C@H]1C[N@@H+]([C@@H]2CCC[NH2+]CC2)CCN1 ZINC001246990341 807448771 /nfs/dbraw/zinc/44/87/71/807448771.db2.gz NICMVKUWVMCMOT-NXEZZACHSA-N 2 2 251.296 0.965 20 0 CCADLP FC(F)(F)[C@H]1C[N@H+]([C@@H]2CCC[NH2+]CC2)CCN1 ZINC001246990341 807448772 /nfs/dbraw/zinc/44/87/72/807448772.db2.gz NICMVKUWVMCMOT-NXEZZACHSA-N 2 2 251.296 0.965 20 0 CCADLP C1[NH2+]CC12C[C@H]([N@@H+]1CC[C@H]3[NH2+]CCC[C@H]3C1)CCN2 ZINC001247016359 807453187 /nfs/dbraw/zinc/45/31/87/807453187.db2.gz UHDAXQCWRSNJDS-BFHYXJOUSA-N 3 2 264.417 0.154 20 0 CCADLP C1[NH2+]CC12C[C@H]([N@H+]1CC[C@H]3[NH2+]CCC[C@H]3C1)CCN2 ZINC001247016359 807453190 /nfs/dbraw/zinc/45/31/90/807453190.db2.gz UHDAXQCWRSNJDS-BFHYXJOUSA-N 3 2 264.417 0.154 20 0 CCADLP CC[N@H+]1C[C@@H]2C[NH+](Cc3cccc(=O)n3C)C[C@@H]2C1 ZINC001248810060 807527950 /nfs/dbraw/zinc/52/79/50/807527950.db2.gz WMJBPZKKWXBKRY-BETUJISGSA-N 2 2 261.369 0.769 20 0 CCADLP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(=O)n3C)C[C@@H]2C1 ZINC001248810060 807527957 /nfs/dbraw/zinc/52/79/57/807527957.db2.gz WMJBPZKKWXBKRY-BETUJISGSA-N 2 2 261.369 0.769 20 0 CCADLP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(=O)n3C)C[C@@H]2C1 ZINC001248810060 807527958 /nfs/dbraw/zinc/52/79/58/807527958.db2.gz WMJBPZKKWXBKRY-BETUJISGSA-N 2 2 261.369 0.769 20 0 CCADLP CC[NH+]1C[C@@H]2C[N@H+](Cc3cccc(=O)n3C)C[C@@H]2C1 ZINC001248810060 807527965 /nfs/dbraw/zinc/52/79/65/807527965.db2.gz WMJBPZKKWXBKRY-BETUJISGSA-N 2 2 261.369 0.769 20 0 CCADLP C[NH+](C)CCNC(=S)NC1CN(c2cccc[nH+]2)C1 ZINC001249851249 807578688 /nfs/dbraw/zinc/57/86/88/807578688.db2.gz YOVLIORLWNFOLQ-UHFFFAOYSA-N 2 2 279.413 0.296 20 0 CCADLP Cc1c[nH+]c(NC[C@H](O)C[NH+]2CCOCC2)c(C)c1 ZINC001251007844 807638784 /nfs/dbraw/zinc/63/87/84/807638784.db2.gz VFKSKUYCCQYHHN-ZDUSSCGKSA-N 2 2 265.357 0.803 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001251958192 807750768 /nfs/dbraw/zinc/75/07/68/807750768.db2.gz VOQSEKVXUGXSGZ-AEGPPILISA-N 2 2 261.369 0.826 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001251958192 807750772 /nfs/dbraw/zinc/75/07/72/807750772.db2.gz VOQSEKVXUGXSGZ-AEGPPILISA-N 2 2 261.369 0.826 20 0 CCADLP C[C@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC001251958192 807750779 /nfs/dbraw/zinc/75/07/79/807750779.db2.gz VOQSEKVXUGXSGZ-AEGPPILISA-N 2 2 261.369 0.826 20 0 CCADLP C[C@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC001251958192 807750784 /nfs/dbraw/zinc/75/07/84/807750784.db2.gz VOQSEKVXUGXSGZ-AEGPPILISA-N 2 2 261.369 0.826 20 0 CCADLP CC(C)OC[C@@H](O)C[NH2+]CCOc1cc[nH+]cc1 ZINC001252700380 807946916 /nfs/dbraw/zinc/94/69/16/807946916.db2.gz PNOSSAYCSOGHPS-LBPRGKRZSA-N 2 2 254.330 0.836 20 0 CCADLP COC[C@@H](O)C[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001252816990 807965918 /nfs/dbraw/zinc/96/59/18/807965918.db2.gz TXFDUAARLULWQA-ZDUSSCGKSA-N 2 2 280.372 0.223 20 0 CCADLP CC[N@H+](CC1(O)CCOCC1)C1CC[NH+](C)CC1 ZINC001252960792 807991028 /nfs/dbraw/zinc/99/10/28/807991028.db2.gz LYLFSGJNOBYNIJ-UHFFFAOYSA-N 2 2 256.390 0.944 20 0 CCADLP CC[N@@H+](CC1(O)CCOCC1)C1CC[NH+](C)CC1 ZINC001252960792 807991035 /nfs/dbraw/zinc/99/10/35/807991035.db2.gz LYLFSGJNOBYNIJ-UHFFFAOYSA-N 2 2 256.390 0.944 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+]CCc1nncs1 ZINC001253212033 808034159 /nfs/dbraw/zinc/03/41/59/808034159.db2.gz LHQLCABGZQYSLK-JTQLQIEISA-N 2 2 258.391 0.373 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@H+](C)[C@@H]1CCCN(C(C)=O)C1 ZINC001253194190 808027365 /nfs/dbraw/zinc/02/73/65/808027365.db2.gz KHKZVZLPIXGOKD-CABCVRRESA-N 2 2 285.432 0.632 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+](C)[C@@H]1CCCN(C(C)=O)C1 ZINC001253194190 808027367 /nfs/dbraw/zinc/02/73/67/808027367.db2.gz KHKZVZLPIXGOKD-CABCVRRESA-N 2 2 285.432 0.632 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+][C@@H](CC(C)C)C(N)=O ZINC001253209065 808033618 /nfs/dbraw/zinc/03/36/18/808033618.db2.gz WUUVMXAXWLABMS-NEPJUHHUSA-N 2 2 259.394 0.179 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@H](Oc2cnccn2)C1 ZINC001253396600 808057438 /nfs/dbraw/zinc/05/74/38/808057438.db2.gz AZNLYPMDHHTJNL-OLZOCXBDSA-N 2 2 294.399 0.679 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@H](Oc2cnccn2)C1 ZINC001253396600 808057445 /nfs/dbraw/zinc/05/74/45/808057445.db2.gz AZNLYPMDHHTJNL-OLZOCXBDSA-N 2 2 294.399 0.679 20 0 CCADLP Cc1[nH+]cn([C@H]2CCS(=O)(=O)C2)c1CSCC[NH3+] ZINC001254318949 808204299 /nfs/dbraw/zinc/20/42/99/808204299.db2.gz PPWJOCOBRDLVJE-JTQLQIEISA-N 2 2 289.426 0.743 20 0 CCADLP C(C[NH+]1CCOCC1)N1CC[NH+]([C@@H]2CCCOC2)CC1 ZINC001254384800 808227477 /nfs/dbraw/zinc/22/74/77/808227477.db2.gz SJTYHVPZXVOEEI-OAHLLOKOSA-N 2 2 283.416 0.115 20 0 CCADLP CCOC(=O)C[NH+]1CCC(n2ccc(C[NH3+])cc2=N)CC1 ZINC001254394658 808231717 /nfs/dbraw/zinc/23/17/17/808231717.db2.gz PMYXTMHLZVXPGY-UHFFFAOYSA-N 2 2 292.383 0.626 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254532777 808255134 /nfs/dbraw/zinc/25/51/34/808255134.db2.gz WQXSGPYLZVYGGS-HUUCEWRRSA-N 3 2 296.459 0.613 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254532777 808255142 /nfs/dbraw/zinc/25/51/42/808255142.db2.gz WQXSGPYLZVYGGS-HUUCEWRRSA-N 3 2 296.459 0.613 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[NH+]([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254532777 808255146 /nfs/dbraw/zinc/25/51/46/808255146.db2.gz WQXSGPYLZVYGGS-HUUCEWRRSA-N 3 2 296.459 0.613 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[NH+]([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254532777 808255152 /nfs/dbraw/zinc/25/51/52/808255152.db2.gz WQXSGPYLZVYGGS-HUUCEWRRSA-N 3 2 296.459 0.613 20 0 CCADLP O=C1COCC2(CC[NH+]([C@H]3CC4CC[NH+](CC4)C3)CC2)N1 ZINC001254857392 808289447 /nfs/dbraw/zinc/28/94/47/808289447.db2.gz ZQTGGNVZEULCDO-AWEZNQCLSA-N 2 2 293.411 0.452 20 0 CCADLP C[NH+]1CCN(C2C[NH+]([C@H]3C[C@@H]4CC(=O)C[C@@H]4C3)C2)CC1 ZINC001254965682 808302782 /nfs/dbraw/zinc/30/27/82/808302782.db2.gz ZNBMFQBHUSCICN-WDNDVIMCSA-N 2 2 277.412 0.676 20 0 CCADLP CCC[NH2+]C[C@H](O)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001278833088 808305896 /nfs/dbraw/zinc/30/58/96/808305896.db2.gz PGDUOMHGSLZURC-ZDUSSCGKSA-N 2 2 282.388 0.172 20 0 CCADLP CCC[NH2+]C[C@@H](O)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001278833087 808306131 /nfs/dbraw/zinc/30/61/31/808306131.db2.gz PGDUOMHGSLZURC-CYBMUJFWSA-N 2 2 282.388 0.172 20 0 CCADLP CC[N@H+](C)C[C@H](O)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001278860518 808351060 /nfs/dbraw/zinc/35/10/60/808351060.db2.gz YIYLRNSOSQXENW-LBPRGKRZSA-N 2 2 268.361 0.113 20 0 CCADLP CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001278860518 808351066 /nfs/dbraw/zinc/35/10/66/808351066.db2.gz YIYLRNSOSQXENW-LBPRGKRZSA-N 2 2 268.361 0.113 20 0 CCADLP CC[N@H+](C)C[C@H](O)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001278860518 808351070 /nfs/dbraw/zinc/35/10/70/808351070.db2.gz YIYLRNSOSQXENW-LBPRGKRZSA-N 2 2 268.361 0.113 20 0 CCADLP CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001278860518 808351082 /nfs/dbraw/zinc/35/10/82/808351082.db2.gz YIYLRNSOSQXENW-LBPRGKRZSA-N 2 2 268.361 0.113 20 0 CCADLP C1CC1[NH+]1CCC([NH2+][C@H]2COCCC23OCCO3)CC1 ZINC001256067767 808466029 /nfs/dbraw/zinc/46/60/29/808466029.db2.gz JLDGPMXSIAJHPM-AWEZNQCLSA-N 2 2 282.384 0.735 20 0 CCADLP [NH3+]C[C@]1(NC2CC[NH+](C3CC3)CC2)C[NH+]2CCC1CC2 ZINC001256071414 808468270 /nfs/dbraw/zinc/46/82/70/808468270.db2.gz WMNBDFKVXWANLB-INIZCTEOSA-N 3 2 278.444 0.626 20 0 CCADLP C[NH+]1CCC([N@@H+]2CCC[C@]3(CCNC3=O)C2)CC1 ZINC001256203092 808477462 /nfs/dbraw/zinc/47/74/62/808477462.db2.gz CKAWQZOUHCTNFB-AWEZNQCLSA-N 2 2 251.374 0.683 20 0 CCADLP C[NH+]1CCC([N@H+]2CCC[C@]3(CCNC3=O)C2)CC1 ZINC001256203092 808477467 /nfs/dbraw/zinc/47/74/67/808477467.db2.gz CKAWQZOUHCTNFB-AWEZNQCLSA-N 2 2 251.374 0.683 20 0 CCADLP CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](C1CC[NH+](C)CC1)C2 ZINC001256205380 808478883 /nfs/dbraw/zinc/47/88/83/808478883.db2.gz YTNCKDWZIWEDNF-UKRRQHHQSA-N 2 2 281.400 0.308 20 0 CCADLP CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](C1CC[NH+](C)CC1)C2 ZINC001256205380 808478885 /nfs/dbraw/zinc/47/88/85/808478885.db2.gz YTNCKDWZIWEDNF-UKRRQHHQSA-N 2 2 281.400 0.308 20 0 CCADLP CN(C)C(=O)N[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001256208598 808479531 /nfs/dbraw/zinc/47/95/31/808479531.db2.gz DYAKZDZELWYOQN-GFCCVEGCSA-N 2 2 268.405 0.816 20 0 CCADLP CN(C)C(=O)N[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001256208598 808479535 /nfs/dbraw/zinc/47/95/35/808479535.db2.gz DYAKZDZELWYOQN-GFCCVEGCSA-N 2 2 268.405 0.816 20 0 CCADLP C[N@H+](CCN1CC[NH+](C)CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256628528 808543354 /nfs/dbraw/zinc/54/33/54/808543354.db2.gz IRCUQRSFRXJQDK-XYPWUTKMSA-N 3 2 280.460 0.791 20 0 CCADLP C[N@@H+](CCN1CC[NH+](C)CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256628528 808543362 /nfs/dbraw/zinc/54/33/62/808543362.db2.gz IRCUQRSFRXJQDK-XYPWUTKMSA-N 3 2 280.460 0.791 20 0 CCADLP C[NH+](CCN1CC[NH+](C)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256628528 808543368 /nfs/dbraw/zinc/54/33/68/808543368.db2.gz IRCUQRSFRXJQDK-XYPWUTKMSA-N 3 2 280.460 0.791 20 0 CCADLP C[NH+](CCN1CC[NH+](C)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256628528 808543375 /nfs/dbraw/zinc/54/33/75/808543375.db2.gz IRCUQRSFRXJQDK-XYPWUTKMSA-N 3 2 280.460 0.791 20 0 CCADLP C[NH+]1CCC(CO)([NH2+]C2CCC3(COC3)CC2)CC1 ZINC001257904465 808643263 /nfs/dbraw/zinc/64/32/63/808643263.db2.gz GMAPCMHZVPIYQK-UHFFFAOYSA-N 2 2 268.401 0.992 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001076046947 815237509 /nfs/dbraw/zinc/23/75/09/815237509.db2.gz UUCHWFQKPRRQGC-QWHCGFSZSA-N 2 2 280.347 0.694 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC001076046947 815237513 /nfs/dbraw/zinc/23/75/13/815237513.db2.gz UUCHWFQKPRRQGC-QWHCGFSZSA-N 2 2 280.347 0.694 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]C[C@](C)(O)c1ccco1)C1CC1 ZINC001262568174 809346944 /nfs/dbraw/zinc/34/69/44/809346944.db2.gz NHPPQXQBJLECMB-OCCSQVGLSA-N 2 2 268.357 0.532 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@](C)(O)c1ccco1)C1CC1 ZINC001262568174 809346953 /nfs/dbraw/zinc/34/69/53/809346953.db2.gz NHPPQXQBJLECMB-OCCSQVGLSA-N 2 2 268.357 0.532 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)NCCC2CC2)CC1 ZINC001262576270 809353044 /nfs/dbraw/zinc/35/30/44/809353044.db2.gz LIDWPOVBCBUPPV-UHFFFAOYSA-N 2 2 254.378 0.509 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C1([NH2+]C)CCC1 ZINC001263179702 809472305 /nfs/dbraw/zinc/47/23/05/809472305.db2.gz UBTBXMSZPDMMKN-GFCCVEGCSA-N 2 2 269.389 0.356 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C1([NH2+]C)CCC1 ZINC001263179702 809472311 /nfs/dbraw/zinc/47/23/11/809472311.db2.gz UBTBXMSZPDMMKN-GFCCVEGCSA-N 2 2 269.389 0.356 20 0 CCADLP C[NH+]1CC(C[NH2+]C[C@H](O)COc2ccc(F)cc2)C1 ZINC000379476997 809513294 /nfs/dbraw/zinc/51/32/94/809513294.db2.gz WZEBWZMTLZWJBR-ZDUSSCGKSA-N 2 2 268.332 0.717 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC12CCC[NH+](CCC1)C2 ZINC001263867766 809593052 /nfs/dbraw/zinc/59/30/52/809593052.db2.gz JZIMJVSUZUWFJY-UHFFFAOYSA-N 2 2 262.357 0.875 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001076501765 815305549 /nfs/dbraw/zinc/30/55/49/815305549.db2.gz CCSPQMKBUJXMSJ-WCQYABFASA-N 2 2 280.347 0.763 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC001076501765 815305556 /nfs/dbraw/zinc/30/55/56/815305556.db2.gz CCSPQMKBUJXMSJ-WCQYABFASA-N 2 2 280.347 0.763 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCCC[C@@H]1C[NH2+]CCO ZINC001265674024 809823933 /nfs/dbraw/zinc/82/39/33/809823933.db2.gz QCPYYHXWFYNASA-JHJVBQTASA-N 2 2 292.383 0.476 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCCC[C@@H]1C[NH2+]CCO ZINC001265674024 809823940 /nfs/dbraw/zinc/82/39/40/809823940.db2.gz QCPYYHXWFYNASA-JHJVBQTASA-N 2 2 292.383 0.476 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCCC[C@@H]1C[NH2+]CCF ZINC001265693887 809827372 /nfs/dbraw/zinc/82/73/72/809827372.db2.gz OJSOGZRTBHEMPM-GFCCVEGCSA-N 2 2 268.336 0.823 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC001076633379 815322508 /nfs/dbraw/zinc/32/25/08/815322508.db2.gz LCTALKJPYHECHD-UONOGXRCSA-N 2 2 274.368 0.826 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC001076633379 815322512 /nfs/dbraw/zinc/32/25/12/815322512.db2.gz LCTALKJPYHECHD-UONOGXRCSA-N 2 2 274.368 0.826 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]C[C@H]1CCOC1 ZINC001265843781 809872714 /nfs/dbraw/zinc/87/27/14/809872714.db2.gz NGUJTLQBHXCILQ-GHMZBOCLSA-N 2 2 266.345 0.083 20 0 CCADLP CO[C@H](C)C[NH2+][C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001265851354 809876113 /nfs/dbraw/zinc/87/61/13/809876113.db2.gz MYXSSWXDZQBNRG-GHMZBOCLSA-N 2 2 268.361 0.092 20 0 CCADLP CC[N@H+](C)CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001265877717 809882622 /nfs/dbraw/zinc/88/26/22/809882622.db2.gz NCTSNNHTVKAXPS-LBPRGKRZSA-N 2 2 264.373 0.904 20 0 CCADLP CC[N@@H+](C)CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001265877717 809882625 /nfs/dbraw/zinc/88/26/25/809882625.db2.gz NCTSNNHTVKAXPS-LBPRGKRZSA-N 2 2 264.373 0.904 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H]1CCC[NH+](C)C1)C1CC1 ZINC000394062091 809936118 /nfs/dbraw/zinc/93/61/18/809936118.db2.gz APUXDFMZSZPZTB-JSGCOSHPSA-N 3 2 255.406 0.373 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H]1CCC[NH+](C)C1)C1CC1 ZINC000394062091 809936120 /nfs/dbraw/zinc/93/61/20/809936120.db2.gz APUXDFMZSZPZTB-JSGCOSHPSA-N 3 2 255.406 0.373 20 0 CCADLP C[NH+](C[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000394062091 809936123 /nfs/dbraw/zinc/93/61/23/809936123.db2.gz APUXDFMZSZPZTB-JSGCOSHPSA-N 3 2 255.406 0.373 20 0 CCADLP C[NH+](C[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000394062091 809936125 /nfs/dbraw/zinc/93/61/25/809936125.db2.gz APUXDFMZSZPZTB-JSGCOSHPSA-N 3 2 255.406 0.373 20 0 CCADLP CCOCC[N@@H+]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001267303785 811121914 /nfs/dbraw/zinc/12/19/14/811121914.db2.gz ASASLAYAJPFIBZ-LBPRGKRZSA-N 2 2 280.372 0.427 20 0 CCADLP CCOCC[N@H+]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001267303785 811121920 /nfs/dbraw/zinc/12/19/20/811121920.db2.gz ASASLAYAJPFIBZ-LBPRGKRZSA-N 2 2 280.372 0.427 20 0 CCADLP Cc1cnc(C[NH2+]CCN(C)C(=O)Cn2cc[nH+]c2C)o1 ZINC001267469429 811349089 /nfs/dbraw/zinc/34/90/89/811349089.db2.gz LJBWPFULXLIYID-UHFFFAOYSA-N 2 2 291.355 0.736 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1CC[NH2+]CCF ZINC001104729612 811562294 /nfs/dbraw/zinc/56/22/94/811562294.db2.gz WWBNPNLMRBLMPR-VXGBXAGGSA-N 2 2 282.363 0.996 20 0 CCADLP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220062456 811714591 /nfs/dbraw/zinc/71/45/91/811714591.db2.gz ZGXWTJYLIODBHR-CYBMUJFWSA-N 3 2 282.432 0.448 20 0 CCADLP C[C@@H]1CCCC[N@H+]1CCCNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220062456 811714599 /nfs/dbraw/zinc/71/45/99/811714599.db2.gz ZGXWTJYLIODBHR-CYBMUJFWSA-N 3 2 282.432 0.448 20 0 CCADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC[C@@H]1C[NH2+]CCO ZINC001267958772 811894023 /nfs/dbraw/zinc/89/40/23/811894023.db2.gz ZETOQSOVBNTLME-QWHCGFSZSA-N 2 2 292.383 0.018 20 0 CCADLP CC(C)[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001027172437 811970224 /nfs/dbraw/zinc/97/02/24/811970224.db2.gz VVVXERPQKVOBRK-GFCCVEGCSA-N 2 2 264.373 0.809 20 0 CCADLP Cc1[nH+]c(N)ccc1CNc1cc2c(nn1)C[NH2+]C2 ZINC001167785595 812052230 /nfs/dbraw/zinc/05/22/30/812052230.db2.gz UZOBNPBPAUQRCV-UHFFFAOYSA-N 2 2 256.313 0.978 20 0 CCADLP C[C@H](C[NH2+]CCCO)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001268071885 812183495 /nfs/dbraw/zinc/18/34/95/812183495.db2.gz RDLDTIULEAKKEO-OLZOCXBDSA-N 2 2 294.399 0.264 20 0 CCADLP C[NH+](C)Cc1csc(CNC[C@@H](O)C[N@H+](C)C2CC2)n1 ZINC000722382902 812227709 /nfs/dbraw/zinc/22/77/09/812227709.db2.gz NRQJIQXUYSSNAH-CYBMUJFWSA-N 2 2 298.456 0.749 20 0 CCADLP C[NH+](C)Cc1csc(CNC[C@@H](O)C[N@@H+](C)C2CC2)n1 ZINC000722382902 812227712 /nfs/dbraw/zinc/22/77/12/812227712.db2.gz NRQJIQXUYSSNAH-CYBMUJFWSA-N 2 2 298.456 0.749 20 0 CCADLP C[C@@H](C[NH2+]CCn1cccn1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001268098275 812257598 /nfs/dbraw/zinc/25/75/98/812257598.db2.gz PEZGXXGXMPTJRL-ZDUSSCGKSA-N 2 2 290.371 0.216 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CCF)C[C@H]21 ZINC001075619827 812475613 /nfs/dbraw/zinc/47/56/13/812475613.db2.gz QCZRROJEBDHWBP-YNEHKIRRSA-N 2 2 269.364 0.583 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CCF)C[C@H]21 ZINC001075619827 812475619 /nfs/dbraw/zinc/47/56/19/812475619.db2.gz QCZRROJEBDHWBP-YNEHKIRRSA-N 2 2 269.364 0.583 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001075619827 812475624 /nfs/dbraw/zinc/47/56/24/812475624.db2.gz QCZRROJEBDHWBP-YNEHKIRRSA-N 2 2 269.364 0.583 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC001075619827 812475626 /nfs/dbraw/zinc/47/56/26/812475626.db2.gz QCZRROJEBDHWBP-YNEHKIRRSA-N 2 2 269.364 0.583 20 0 CCADLP CC[NH2+]C[C@H](O)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001268317101 812480693 /nfs/dbraw/zinc/48/06/93/812480693.db2.gz KZJQXCJTXWGUMB-LBPRGKRZSA-N 2 2 265.357 0.707 20 0 CCADLP COCCOC[C@H](O)C[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000300263274 812527944 /nfs/dbraw/zinc/52/79/44/812527944.db2.gz TWDQILZYPLICHC-FRRDWIJNSA-N 2 2 260.378 0.070 20 0 CCADLP COCCOC[C@H](O)C[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000300263274 812527946 /nfs/dbraw/zinc/52/79/46/812527946.db2.gz TWDQILZYPLICHC-FRRDWIJNSA-N 2 2 260.378 0.070 20 0 CCADLP C[C@@H](CC[NH2+]Cc1ccnn1C)NC(=O)Cn1cc[nH+]c1 ZINC001268431736 812564037 /nfs/dbraw/zinc/56/40/37/812564037.db2.gz PDPVNKSPHNDNOM-LBPRGKRZSA-N 2 2 290.371 0.301 20 0 CCADLP COc1ccnc(-c2noc([C@H]3C[NH2+]C[C@@H]3[NH3+])n2)c1 ZINC001211755214 812669079 /nfs/dbraw/zinc/66/90/79/812669079.db2.gz BUELLEJFCSSHRT-IUCAKERBSA-N 2 2 261.285 0.154 20 0 CCADLP C[C@@H](O)C[NH2+]CC[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001269785467 813509485 /nfs/dbraw/zinc/50/94/85/813509485.db2.gz NNLIMQKDFGWEHU-CHWSQXEVSA-N 2 2 294.399 0.551 20 0 CCADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CO)n1cc[nH+]c1 ZINC001270398759 813749171 /nfs/dbraw/zinc/74/91/71/813749171.db2.gz GTPJFZJIRNQWNK-PSEXLTFBSA-N 2 2 278.356 0.158 20 0 CCADLP C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1ccn2c[nH+]cc2c1 ZINC001270539562 813803675 /nfs/dbraw/zinc/80/36/75/813803675.db2.gz LFPZRIXDPXTVTN-BETUJISGSA-N 2 2 256.309 0.863 20 0 CCADLP C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1ccn2c[nH+]cc2c1 ZINC001270539562 813803688 /nfs/dbraw/zinc/80/36/88/813803688.db2.gz LFPZRIXDPXTVTN-BETUJISGSA-N 2 2 256.309 0.863 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]CC[C@H]1CCOC1 ZINC001270549943 813806506 /nfs/dbraw/zinc/80/65/06/813806506.db2.gz AKGWOQVDAHDNFL-STQMWFEESA-N 2 2 294.399 0.721 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]CC[C@@H]1CCOC1 ZINC001270549938 813806869 /nfs/dbraw/zinc/80/68/69/813806869.db2.gz AKGWOQVDAHDNFL-CHWSQXEVSA-N 2 2 294.399 0.721 20 0 CCADLP C[NH+]1CC2(CN(C(=O)c3cccn4c[nH+]cc34)C2)C1 ZINC001270603835 813835919 /nfs/dbraw/zinc/83/59/19/813835919.db2.gz XOKMADHLGXRRDB-UHFFFAOYSA-N 2 2 256.309 0.722 20 0 CCADLP C[N@@H+]1CCC12CN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001270609159 813838167 /nfs/dbraw/zinc/83/81/67/813838167.db2.gz AFKSKKXRXLUNEC-UHFFFAOYSA-N 2 2 256.309 0.864 20 0 CCADLP C[N@H+]1CCC12CN(C(=O)c1ccc3c[nH+]cn3c1)C2 ZINC001270609159 813838176 /nfs/dbraw/zinc/83/81/76/813838176.db2.gz AFKSKKXRXLUNEC-UHFFFAOYSA-N 2 2 256.309 0.864 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H](O)CO[C@H](C)COC ZINC000300256574 813846440 /nfs/dbraw/zinc/84/64/40/813846440.db2.gz DGSZNRPPLGEQKI-AGIUHOORSA-N 2 2 260.378 0.083 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H](O)CO[C@H](C)COC ZINC000300256574 813846456 /nfs/dbraw/zinc/84/64/56/813846456.db2.gz DGSZNRPPLGEQKI-AGIUHOORSA-N 2 2 260.378 0.083 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+]CCCO ZINC001167979200 813882100 /nfs/dbraw/zinc/88/21/00/813882100.db2.gz RIPMMTZFXKOGEI-LLVKDONJSA-N 2 2 268.361 0.067 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+]CCCO ZINC001167979200 813882109 /nfs/dbraw/zinc/88/21/09/813882109.db2.gz RIPMMTZFXKOGEI-LLVKDONJSA-N 2 2 268.361 0.067 20 0 CCADLP C[NH2+][C@@]12CC[C@@](NC(=O)[C@H]3C[N@H+](C)CCO3)(C1)CCC2 ZINC001270977051 814105434 /nfs/dbraw/zinc/10/54/34/814105434.db2.gz LFKLCEXKKZWSAY-VHDGCEQUSA-N 2 2 281.400 0.498 20 0 CCADLP C[NH2+][C@@]12CC[C@@](NC(=O)[C@H]3C[N@@H+](C)CCO3)(C1)CCC2 ZINC001270977051 814105441 /nfs/dbraw/zinc/10/54/41/814105441.db2.gz LFKLCEXKKZWSAY-VHDGCEQUSA-N 2 2 281.400 0.498 20 0 CCADLP C[NH+]1CCO[C@H]2CN(C(=O)C[C@@H]3CCC[N@@H+](C)C3)C[C@@H]21 ZINC001271015216 814115796 /nfs/dbraw/zinc/11/57/96/814115796.db2.gz AMECPDRLHTWJQN-IHRRRGAJSA-N 2 2 281.400 0.260 20 0 CCADLP C[NH+]1CCO[C@H]2CN(C(=O)C[C@@H]3CCC[N@H+](C)C3)C[C@@H]21 ZINC001271015216 814115798 /nfs/dbraw/zinc/11/57/98/814115798.db2.gz AMECPDRLHTWJQN-IHRRRGAJSA-N 2 2 281.400 0.260 20 0 CCADLP C[NH+]1CCC[C@@H](CC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)C1 ZINC001271015216 814115801 /nfs/dbraw/zinc/11/58/01/814115801.db2.gz AMECPDRLHTWJQN-IHRRRGAJSA-N 2 2 281.400 0.260 20 0 CCADLP C[NH+]1CCC[C@@H](CC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)C1 ZINC001271015216 814115806 /nfs/dbraw/zinc/11/58/06/814115806.db2.gz AMECPDRLHTWJQN-IHRRRGAJSA-N 2 2 281.400 0.260 20 0 CCADLP CC[NH+]1CCC(CC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)CC1 ZINC001271067161 814135601 /nfs/dbraw/zinc/13/56/01/814135601.db2.gz LISSBWRMYQOFAG-CABCVRRESA-N 2 2 295.427 0.650 20 0 CCADLP CC[NH+]1CCC(CC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)CC1 ZINC001271067161 814135607 /nfs/dbraw/zinc/13/56/07/814135607.db2.gz LISSBWRMYQOFAG-CABCVRRESA-N 2 2 295.427 0.650 20 0 CCADLP CC[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2Cc1cn[nH]c1 ZINC001271081039 814142817 /nfs/dbraw/zinc/14/28/17/814142817.db2.gz KAVDBGLYVSMPOV-OKILXGFUSA-N 2 2 291.399 0.537 20 0 CCADLP CC[N@@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2Cc1cn[nH]c1 ZINC001271081039 814142822 /nfs/dbraw/zinc/14/28/22/814142822.db2.gz KAVDBGLYVSMPOV-OKILXGFUSA-N 2 2 291.399 0.537 20 0 CCADLP CC[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn[nH]c1 ZINC001271081039 814142826 /nfs/dbraw/zinc/14/28/26/814142826.db2.gz KAVDBGLYVSMPOV-OKILXGFUSA-N 2 2 291.399 0.537 20 0 CCADLP CC[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn[nH]c1 ZINC001271081039 814142831 /nfs/dbraw/zinc/14/28/31/814142831.db2.gz KAVDBGLYVSMPOV-OKILXGFUSA-N 2 2 291.399 0.537 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCc2nnnn2C)[C@@H]1C ZINC000883446194 814302834 /nfs/dbraw/zinc/30/28/34/814302834.db2.gz ZBUGRFOUVOSYLF-MXWKQRLJSA-N 2 2 252.366 0.200 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCc2nnnn2C)[C@@H]1C ZINC000883446194 814302838 /nfs/dbraw/zinc/30/28/38/814302838.db2.gz ZBUGRFOUVOSYLF-MXWKQRLJSA-N 2 2 252.366 0.200 20 0 CCADLP C[C@@H](C(=O)N1C[C@@H]2C[N@@H+](C)C[C@H](C1)O2)[NH+]1CCCC1 ZINC001271210468 814334868 /nfs/dbraw/zinc/33/48/68/814334868.db2.gz DEISHQKOPSKNRR-RWMBFGLXSA-N 2 2 267.373 0.012 20 0 CCADLP C[C@@H](C(=O)N1C[C@@H]2C[N@H+](C)C[C@H](C1)O2)[NH+]1CCCC1 ZINC001271210468 814334872 /nfs/dbraw/zinc/33/48/72/814334872.db2.gz DEISHQKOPSKNRR-RWMBFGLXSA-N 2 2 267.373 0.012 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCCCC[C@@H]([NH2+]CCO)C1 ZINC001088355570 814640115 /nfs/dbraw/zinc/64/01/15/814640115.db2.gz AZMVOCUBIZPZFU-CQSZACIVSA-N 2 2 294.399 0.626 20 0 CCADLP C[N@H+](C1COC1)C1CN(C2CC[NH+](CC3CC3)CC2)C1 ZINC001168388012 815725644 /nfs/dbraw/zinc/72/56/44/815725644.db2.gz ZQGFJWXMVVVXDL-UHFFFAOYSA-N 2 2 279.428 0.876 20 0 CCADLP C[N@@H+](C1COC1)C1CN(C2CC[NH+](CC3CC3)CC2)C1 ZINC001168388012 815725649 /nfs/dbraw/zinc/72/56/49/815725649.db2.gz ZQGFJWXMVVVXDL-UHFFFAOYSA-N 2 2 279.428 0.876 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CCC[C@H]2CCOC2)C1 ZINC001030161886 815853704 /nfs/dbraw/zinc/85/37/04/815853704.db2.gz RHTWPKUSXJPVQH-DZGCQCFKSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CCC[C@H]2CCOC2)C1 ZINC001030161886 815853713 /nfs/dbraw/zinc/85/37/13/815853713.db2.gz RHTWPKUSXJPVQH-DZGCQCFKSA-N 2 2 295.427 0.698 20 0 CCADLP CC[NH+]1CC(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001030306763 815969496 /nfs/dbraw/zinc/96/94/96/815969496.db2.gz ZMCCXILHUBUVRF-DGCLKSJQSA-N 2 2 251.374 0.681 20 0 CCADLP CC[NH+]1CC(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001030306763 815969498 /nfs/dbraw/zinc/96/94/98/815969498.db2.gz ZMCCXILHUBUVRF-DGCLKSJQSA-N 2 2 251.374 0.681 20 0 CCADLP O=C(NC1C[NH+](CCCF)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001030349029 815987807 /nfs/dbraw/zinc/98/78/07/815987807.db2.gz YZEKIMFBNSFTQR-OLZOCXBDSA-N 2 2 285.363 0.010 20 0 CCADLP O=C(NC1C[NH+](CCCF)C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001030349029 815987813 /nfs/dbraw/zinc/98/78/13/815987813.db2.gz YZEKIMFBNSFTQR-OLZOCXBDSA-N 2 2 285.363 0.010 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030401623 816015773 /nfs/dbraw/zinc/01/57/73/816015773.db2.gz VYOULQNZLZONNT-ZDUSSCGKSA-N 2 2 269.389 0.044 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001030401623 816015787 /nfs/dbraw/zinc/01/57/87/816015787.db2.gz VYOULQNZLZONNT-ZDUSSCGKSA-N 2 2 269.389 0.044 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](C[C@H]2CCCOC2)C1 ZINC001030535129 816092025 /nfs/dbraw/zinc/09/20/25/816092025.db2.gz KXALPBMLLFBFHT-UKRRQHHQSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](C[C@H]2CCCOC2)C1 ZINC001030535129 816092029 /nfs/dbraw/zinc/09/20/29/816092029.db2.gz KXALPBMLLFBFHT-UKRRQHHQSA-N 2 2 295.427 0.698 20 0 CCADLP O=C(NC1C[NH+](CC2CC2)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001030544542 816099103 /nfs/dbraw/zinc/09/91/03/816099103.db2.gz PNCMPGKIVMAOPK-GFCCVEGCSA-N 2 2 274.368 0.656 20 0 CCADLP Cc1c(C(=O)NC2C[NH+](CCCO)C2)ccc2c[nH+]cn21 ZINC001030591584 816130969 /nfs/dbraw/zinc/13/09/69/816130969.db2.gz XSDOFOZWPWUTGD-UHFFFAOYSA-N 2 2 288.351 0.439 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCF ZINC001272323415 816311786 /nfs/dbraw/zinc/31/17/86/816311786.db2.gz PVQRHZNRHYCIKU-WCQYABFASA-N 2 2 282.363 0.807 20 0 CCADLP CCC[N@@H+]1CCC[C@@H](C(=O)NC2C[NH+](C[C@@H](C)OC)C2)C1 ZINC001030825685 816320102 /nfs/dbraw/zinc/32/01/02/816320102.db2.gz ONCJLTZNAMKOPV-ZIAGYGMSSA-N 2 2 297.443 0.944 20 0 CCADLP CCC[N@H+]1CCC[C@@H](C(=O)NC2C[NH+](C[C@@H](C)OC)C2)C1 ZINC001030825685 816320107 /nfs/dbraw/zinc/32/01/07/816320107.db2.gz ONCJLTZNAMKOPV-ZIAGYGMSSA-N 2 2 297.443 0.944 20 0 CCADLP CCC[N@@H+]1CCC[C@H](C(=O)NC2C[NH+]([C@H](C)COC)C2)C1 ZINC001030826432 816322077 /nfs/dbraw/zinc/32/20/77/816322077.db2.gz ZELKJGLXGPDZJI-KGLIPLIRSA-N 2 2 297.443 0.944 20 0 CCADLP CCC[N@H+]1CCC[C@H](C(=O)NC2C[NH+]([C@H](C)COC)C2)C1 ZINC001030826432 816322082 /nfs/dbraw/zinc/32/20/82/816322082.db2.gz ZELKJGLXGPDZJI-KGLIPLIRSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+](CCCF)C2)C1 ZINC001030838259 816332687 /nfs/dbraw/zinc/33/26/87/816332687.db2.gz BFWCHYNDDQKUPE-CYBMUJFWSA-N 2 2 287.379 0.256 20 0 CCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)NC2C[NH+](CCCF)C2)C1 ZINC001030838259 816332693 /nfs/dbraw/zinc/33/26/93/816332693.db2.gz BFWCHYNDDQKUPE-CYBMUJFWSA-N 2 2 287.379 0.256 20 0 CCADLP CN(C)c1nc(NCC2([NH+]3CCCC3)COC2)cc[nH+]1 ZINC001168441642 816454466 /nfs/dbraw/zinc/45/44/66/816454466.db2.gz AZJLRVSCHXDXMF-UHFFFAOYSA-N 2 2 277.372 0.819 20 0 CCADLP COCCC[NH2+]CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001127292365 816643247 /nfs/dbraw/zinc/64/32/47/816643247.db2.gz DOGLSFLQIARRPZ-UHFFFAOYSA-N 2 2 290.367 0.999 20 0 CCADLP C[C@@H](O)C[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001168499034 816889181 /nfs/dbraw/zinc/88/91/81/816889181.db2.gz FRWZOFLUFUCZSA-GFCCVEGCSA-N 2 2 280.372 0.140 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)NC1C[NH+](CCCF)C1 ZINC001031267572 816915731 /nfs/dbraw/zinc/91/57/31/816915731.db2.gz MDYJCRYYVSKQGG-UHFFFAOYSA-N 2 2 280.347 0.921 20 0 CCADLP C[C@H]1CC[C@@H](C[NH+]2CC(NC(=O)C[NH+]3CCCC3)C2)O1 ZINC001031389213 817023934 /nfs/dbraw/zinc/02/39/34/817023934.db2.gz HDZUSKDKYIVIMC-JSGCOSHPSA-N 2 2 281.400 0.450 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001031390568 817025651 /nfs/dbraw/zinc/02/56/51/817025651.db2.gz RISQFMSQAMKCJZ-JTQLQIEISA-N 2 2 266.345 0.027 20 0 CCADLP COCC[NH+]1CC(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001031433808 817053098 /nfs/dbraw/zinc/05/30/98/817053098.db2.gz RRCYCZFXKXNORD-UHFFFAOYSA-N 2 2 291.395 0.809 20 0 CCADLP CC[C@H](C)C[NH+]1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001031476462 817073075 /nfs/dbraw/zinc/07/30/75/817073075.db2.gz PQZCQQRQQBJBFF-NSHDSACASA-N 2 2 250.346 0.730 20 0 CCADLP COC[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001031744700 817308961 /nfs/dbraw/zinc/30/89/61/817308961.db2.gz OATDMZZGDINTOH-CYZMBNFOSA-N 2 2 292.383 0.596 20 0 CCADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)c1nc(-c2ccccn2)no1 ZINC001212315461 817362530 /nfs/dbraw/zinc/36/25/30/817362530.db2.gz XEXALUNTAOCVOQ-NSHDSACASA-N 2 2 288.355 0.555 20 0 CCADLP O=C(NCC1C[NH+](CCCF)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001031783841 817363932 /nfs/dbraw/zinc/36/39/32/817363932.db2.gz HPUZPDCBALEXSK-CYBMUJFWSA-N 2 2 294.374 0.853 20 0 CCADLP O=C(NCC1C[NH+](CC2CC2)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001031783108 817365338 /nfs/dbraw/zinc/36/53/38/817365338.db2.gz ATQAIDNHFQXMIG-AWEZNQCLSA-N 2 2 288.395 0.904 20 0 CCADLP CCC[NH+]1CC(CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001031799278 817375338 /nfs/dbraw/zinc/37/53/38/817375338.db2.gz BOFZKKPEAUQJRK-UHFFFAOYSA-N 2 2 280.372 0.808 20 0 CCADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)on1 ZINC001032181221 817677629 /nfs/dbraw/zinc/67/76/29/817677629.db2.gz CKPAWYCELDKNOC-CYBMUJFWSA-N 2 2 292.383 0.483 20 0 CCADLP Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)on1 ZINC001032181221 817677632 /nfs/dbraw/zinc/67/76/32/817677632.db2.gz CKPAWYCELDKNOC-CYBMUJFWSA-N 2 2 292.383 0.483 20 0 CCADLP CC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC000996708077 817851189 /nfs/dbraw/zinc/85/11/89/817851189.db2.gz SYTFXFFMGQQRIX-NSHDSACASA-N 2 2 250.346 0.730 20 0 CCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C2C[NH+](CCOC)C2)C1 ZINC001043605098 818113120 /nfs/dbraw/zinc/11/31/20/818113120.db2.gz ZZHSFHMDGQUYHR-CQSZACIVSA-N 2 2 297.443 0.897 20 0 CCADLP CCC[N@H+]1CCC[C@@H](C(=O)N(C)C2C[NH+](CCOC)C2)C1 ZINC001043605098 818113126 /nfs/dbraw/zinc/11/31/26/818113126.db2.gz ZZHSFHMDGQUYHR-CQSZACIVSA-N 2 2 297.443 0.897 20 0 CCADLP C[C@@H]1[C@H](O)CCC[NH+]1CC(O)C[N@H+]1CCC[C@@H](O)[C@H]1C ZINC000451459165 818128918 /nfs/dbraw/zinc/12/89/18/818128918.db2.gz PEMVDNCDZDUOIW-QHSBEEBCSA-N 2 2 286.416 0.038 20 0 CCADLP C[C@@H]1[C@H](O)CCC[NH+]1CC(O)C[N@@H+]1CCC[C@@H](O)[C@H]1C ZINC000451459165 818128922 /nfs/dbraw/zinc/12/89/22/818128922.db2.gz PEMVDNCDZDUOIW-QHSBEEBCSA-N 2 2 286.416 0.038 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2nccc3nc[nH]c32)CC1 ZINC001168735278 818533563 /nfs/dbraw/zinc/53/35/63/818533563.db2.gz LSSCVKNZHWMJRW-UHFFFAOYSA-N 2 2 259.317 0.552 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(Cn3cncn3)cc2)CC1 ZINC001168736834 818552049 /nfs/dbraw/zinc/55/20/49/818552049.db2.gz QBENSSYSHHQNTL-UHFFFAOYSA-N 2 2 299.382 0.920 20 0 CCADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033617520 818853719 /nfs/dbraw/zinc/85/37/19/818853719.db2.gz VILPLOMGIKXXMQ-LLVKDONJSA-N 2 2 250.346 0.813 20 0 CCADLP CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033617520 818853728 /nfs/dbraw/zinc/85/37/28/818853728.db2.gz VILPLOMGIKXXMQ-LLVKDONJSA-N 2 2 250.346 0.813 20 0 CCADLP C[S@@](=O)CC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702564305 819146170 /nfs/dbraw/zinc/14/61/70/819146170.db2.gz 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CC(C)=CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001035312302 819462440 /nfs/dbraw/zinc/46/24/40/819462440.db2.gz HTGFQRLOKWMEKB-HUUCEWRRSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)=CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001035312302 819462444 /nfs/dbraw/zinc/46/24/44/819462444.db2.gz HTGFQRLOKWMEKB-HUUCEWRRSA-N 2 2 295.427 0.864 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](CCN2CCOC2=O)CC[C@H]1C(F)(F)F ZINC000706027877 819596735 /nfs/dbraw/zinc/59/67/35/819596735.db2.gz MITJZNKRIGMHNQ-NXEZZACHSA-N 2 2 295.305 0.898 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](CCN2CCOC2=O)CC[C@H]1C(F)(F)F ZINC000706027877 819596741 /nfs/dbraw/zinc/59/67/41/819596741.db2.gz MITJZNKRIGMHNQ-NXEZZACHSA-N 2 2 295.305 0.898 20 0 CCADLP COCC[NH+]1CC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001035860841 819637955 /nfs/dbraw/zinc/63/79/55/819637955.db2.gz GSDRSCCCVCIZRC-UHFFFAOYSA-N 2 2 292.383 0.454 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000708859955 819782515 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288.395 0.998 20 0 CCADLP CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001084462294 821293097 /nfs/dbraw/zinc/29/30/97/821293097.db2.gz HNSGRYAODXQIEZ-UMVBOHGHSA-N 2 2 288.395 0.998 20 0 CCADLP COCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001084799204 821395713 /nfs/dbraw/zinc/39/57/13/821395713.db2.gz XAIIKWHHTYRBIK-TZMCWYRMSA-N 2 2 292.383 0.440 20 0 CCADLP COCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001084799204 821395722 /nfs/dbraw/zinc/39/57/22/821395722.db2.gz XAIIKWHHTYRBIK-TZMCWYRMSA-N 2 2 292.383 0.440 20 0 CCADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000828635161 821792152 /nfs/dbraw/zinc/79/21/52/821792152.db2.gz FEZXUNKGEBDLAM-ABAIWWIYSA-N 2 2 291.351 0.126 20 0 CCADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000828635161 821792157 /nfs/dbraw/zinc/79/21/57/821792157.db2.gz FEZXUNKGEBDLAM-ABAIWWIYSA-N 2 2 291.351 0.126 20 0 CCADLP CN(C[C@@H]1CC[N@@H+]1CCO)C(=O)[C@@H]1CCCc2[nH+]ccn21 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C[C@H]([NH2+]CCNC(=O)C[N@@H+](C)C1CCC1)c1ncccn1 ZINC001129532043 837523211 /nfs/dbraw/zinc/52/32/11/837523211.db2.gz OSDUAOLIHDROMM-LBPRGKRZSA-N 2 2 291.399 0.728 20 0 CCADLP CC[C@H](C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)OC ZINC001129891151 837577280 /nfs/dbraw/zinc/57/72/80/837577280.db2.gz FGWDBJQZUFERBO-IJLUTSLNSA-N 2 2 280.372 0.644 20 0 CCADLP CC[C@H](C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)OC ZINC001129891151 837577282 /nfs/dbraw/zinc/57/72/82/837577282.db2.gz FGWDBJQZUFERBO-IJLUTSLNSA-N 2 2 280.372 0.644 20 0 CCADLP COC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130407692 837786048 /nfs/dbraw/zinc/78/60/48/837786048.db2.gz WQRQCBZBKBDAOL-VXGBXAGGSA-N 2 2 280.372 0.186 20 0 CCADLP O=C(NCC[NH2+]CC1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130404786 837786877 /nfs/dbraw/zinc/78/68/77/837786877.db2.gz PAQXNZABWLDFBZ-GFCCVEGCSA-N 2 2 262.357 0.561 20 0 CCADLP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+][C@H](C)c1nc(C)no1 ZINC001130422122 837788632 /nfs/dbraw/zinc/78/86/32/837788632.db2.gz XNAOHIMRDZFUKO-SNVBAGLBSA-N 2 2 297.403 0.875 20 0 CCADLP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+][C@H](C)c1nc(C)no1 ZINC001130422122 837788637 /nfs/dbraw/zinc/78/86/37/837788637.db2.gz XNAOHIMRDZFUKO-SNVBAGLBSA-N 2 2 297.403 0.875 20 0 CCADLP NC(=O)CCNc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001168963442 836087085 /nfs/dbraw/zinc/08/70/85/836087085.db2.gz YMMWMNPLJBBUON-GFCCVEGCSA-N 2 2 262.357 0.507 20 0 CCADLP NC(=O)CCNc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001168963442 836087095 /nfs/dbraw/zinc/08/70/95/836087095.db2.gz YMMWMNPLJBBUON-GFCCVEGCSA-N 2 2 262.357 0.507 20 0 CCADLP Cc1nc(CC[NH3+])nn1-c1ccc(Cn2cc[nH+]c2)cn1 ZINC001168986165 836088647 /nfs/dbraw/zinc/08/86/47/836088647.db2.gz VNTKMKBPFYGUMV-UHFFFAOYSA-N 2 2 283.339 0.717 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cccc2c1CNC(=O)N2 ZINC001169076896 836121325 /nfs/dbraw/zinc/12/13/25/836121325.db2.gz ZZRJZXKEHNOTSG-SECBINFHSA-N 2 2 287.323 0.370 20 0 CCADLP Cc1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc2c1C[NH2+]CC2 ZINC001169066496 836122779 /nfs/dbraw/zinc/12/27/79/836122779.db2.gz FZCGZIWDZUAOLU-LLVKDONJSA-N 3 2 287.367 0.084 20 0 CCADLP Cc1cc2cnc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)nc2[nH]1 ZINC001169067764 836123901 /nfs/dbraw/zinc/12/39/01/836123901.db2.gz XQSGFXVKKLJGSD-SNVBAGLBSA-N 2 2 272.312 0.266 20 0 CCADLP Cc1ccc2nc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)ccc2n1 ZINC001169071162 836123995 /nfs/dbraw/zinc/12/39/95/836123995.db2.gz FVFSGWVUCNJZRF-LLVKDONJSA-N 2 2 283.335 0.986 20 0 CCADLP COC(=[NH2+])c1cccc(-n2cncc2C[C@@H]([NH3+])CO)c1 ZINC001169074336 836127202 /nfs/dbraw/zinc/12/72/02/836127202.db2.gz JZHDNCICKHDKPM-LLVKDONJSA-N 2 2 274.324 0.706 20 0 CCADLP COc1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c(C)n1 ZINC001169073187 836127411 /nfs/dbraw/zinc/12/74/11/836127411.db2.gz BYFVEQDJPXMYJW-SNVBAGLBSA-N 2 2 262.313 0.446 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccnc2[nH]cnc21 ZINC001169073759 836127582 /nfs/dbraw/zinc/12/75/82/836127582.db2.gz KOUVOFPGUDVQKY-MRVPVSSYSA-N 2 2 258.285 0.006 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccnc2nc[nH]c21 ZINC001169073759 836127583 /nfs/dbraw/zinc/12/75/83/836127583.db2.gz KOUVOFPGUDVQKY-MRVPVSSYSA-N 2 2 258.285 0.006 20 0 CCADLP COCc1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cc1 ZINC001169074747 836129119 /nfs/dbraw/zinc/12/91/19/836129119.db2.gz MISWHNVGCYDWFI-GFCCVEGCSA-N 2 2 261.325 0.881 20 0 CCADLP CC1(C)CO[C@H](C[NH2+]CCCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001169212941 836161245 /nfs/dbraw/zinc/16/12/45/836161245.db2.gz YXIMVJYXBMTSCZ-LBPRGKRZSA-N 2 2 294.399 0.863 20 0 CCADLP Cc1nc(-n2ccc([C@@H](C)[NH3+])n2)cc(N2CCOCC2)[nH+]1 ZINC001169229410 836164596 /nfs/dbraw/zinc/16/45/96/836164596.db2.gz XIMJCQDMSGCWHY-SNVBAGLBSA-N 2 2 288.355 0.827 20 0 CCADLP CC(=O)N1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001169515660 836318947 /nfs/dbraw/zinc/31/89/47/836318947.db2.gz XJZGOBMPYDXFFP-UONOGXRCSA-N 2 2 251.374 0.681 20 0 CCADLP CC(=O)N1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001169515660 836318959 /nfs/dbraw/zinc/31/89/59/836318959.db2.gz XJZGOBMPYDXFFP-UONOGXRCSA-N 2 2 251.374 0.681 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccon3)C[C@H]21 ZINC001115300345 836347772 /nfs/dbraw/zinc/34/77/72/836347772.db2.gz PZMLWNQSYAUYNY-NHAGDIPZSA-N 2 2 292.383 0.561 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccon3)C[C@H]21 ZINC001115300345 836347776 /nfs/dbraw/zinc/34/77/76/836347776.db2.gz PZMLWNQSYAUYNY-NHAGDIPZSA-N 2 2 292.383 0.561 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001115300345 836347784 /nfs/dbraw/zinc/34/77/84/836347784.db2.gz PZMLWNQSYAUYNY-NHAGDIPZSA-N 2 2 292.383 0.561 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001115300345 836347793 /nfs/dbraw/zinc/34/77/93/836347793.db2.gz PZMLWNQSYAUYNY-NHAGDIPZSA-N 2 2 292.383 0.561 20 0 CCADLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1CCN(C(C)=O)C1 ZINC001169563462 836351340 /nfs/dbraw/zinc/35/13/40/836351340.db2.gz OAPJAHSBZHBBQW-ZDUSSCGKSA-N 2 2 250.346 0.826 20 0 CCADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CCN(C(C)=O)C1 ZINC001169563462 836351352 /nfs/dbraw/zinc/35/13/52/836351352.db2.gz OAPJAHSBZHBBQW-ZDUSSCGKSA-N 2 2 250.346 0.826 20 0 CCADLP Cc1noc(C[NH2+]CCNC(=O)C2([NH+](C)C)CCC2)n1 ZINC001129352277 836496643 /nfs/dbraw/zinc/49/66/43/836496643.db2.gz XWODXOYTHJQKPT-UHFFFAOYSA-N 2 2 281.360 0.068 20 0 CCADLP C[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001109222947 836642861 /nfs/dbraw/zinc/64/28/61/836642861.db2.gz IVUBZCOMNXPEHB-RNJOBUHISA-N 2 2 292.383 0.445 20 0 CCADLP C[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001109222947 836642865 /nfs/dbraw/zinc/64/28/65/836642865.db2.gz IVUBZCOMNXPEHB-RNJOBUHISA-N 2 2 292.383 0.445 20 0 CCADLP CN(c1cc(N2CCOCC2)[nH+]cn1)[C@@]1(C)CCC[NH2+]C1 ZINC001156957501 836747473 /nfs/dbraw/zinc/74/74/73/836747473.db2.gz WAACGXRCWSWFLM-HNNXBMFYSA-N 2 2 291.399 0.892 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@]2(C[NH2+]CCO)C1 ZINC001112590932 836801549 /nfs/dbraw/zinc/80/15/49/836801549.db2.gz YREKCBCSLZRWIK-ZFWWWQNUSA-N 2 2 292.383 0.094 20 0 CCADLP COCCC[NH+]1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001113172459 837044745 /nfs/dbraw/zinc/04/47/45/837044745.db2.gz JELIIHZQZYHXQW-UHFFFAOYSA-N 2 2 280.372 0.454 20 0 CCADLP O=C(N1CC2(C1)CC(F)(F)C2)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157522045 837081645 /nfs/dbraw/zinc/08/16/45/837081645.db2.gz PGWCUJMAFYYFAT-ZANVPECISA-N 2 2 271.311 0.196 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001184492245 844240972 /nfs/dbraw/zinc/24/09/72/844240972.db2.gz OCHFDJWLAZAPRQ-GFCCVEGCSA-N 2 2 280.372 0.190 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NCC[NH2+]C/C=C/Cl)no1 ZINC001130648461 837880297 /nfs/dbraw/zinc/88/02/97/837880297.db2.gz OJVBRAQPGWHGJE-ONEGZZNKSA-N 2 2 286.763 0.808 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1oc(C)nc1C ZINC001131380291 838075487 /nfs/dbraw/zinc/07/54/87/838075487.db2.gz IXWVCYZSYHQOLQ-UHFFFAOYSA-N 2 2 291.355 0.702 20 0 CCADLP COCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001132090515 838317836 /nfs/dbraw/zinc/31/78/36/838317836.db2.gz HWVPQMBZWJGHEQ-JSGCOSHPSA-N 2 2 294.399 0.958 20 0 CCADLP COCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C ZINC001132090515 838317828 /nfs/dbraw/zinc/31/78/28/838317828.db2.gz HWVPQMBZWJGHEQ-JSGCOSHPSA-N 2 2 294.399 0.958 20 0 CCADLP COCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C ZINC001132090515 838317831 /nfs/dbraw/zinc/31/78/31/838317831.db2.gz HWVPQMBZWJGHEQ-JSGCOSHPSA-N 2 2 294.399 0.958 20 0 CCADLP COCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001132090515 838317842 /nfs/dbraw/zinc/31/78/42/838317842.db2.gz HWVPQMBZWJGHEQ-JSGCOSHPSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CCO ZINC001133194772 838573500 /nfs/dbraw/zinc/57/35/00/838573500.db2.gz KMQGRJVKAWGQIT-VXGBXAGGSA-N 2 2 280.372 0.019 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]CCNC(=O)C2CC[NH+](C)CC2)n1 ZINC001133286015 838588133 /nfs/dbraw/zinc/58/81/33/838588133.db2.gz SNXLKJZFULUXGW-SNVBAGLBSA-N 2 2 295.387 0.487 20 0 CCADLP Cc1ccnc(C[NH2+]CCNC(=O)C[N@H+]2CC[C@@H](C)C2)n1 ZINC001133854036 838740827 /nfs/dbraw/zinc/74/08/27/838740827.db2.gz WDJZCPMXKNIDKG-GFCCVEGCSA-N 2 2 291.399 0.333 20 0 CCADLP Cc1ccnc(C[NH2+]CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)n1 ZINC001133854036 838740834 /nfs/dbraw/zinc/74/08/34/838740834.db2.gz WDJZCPMXKNIDKG-GFCCVEGCSA-N 2 2 291.399 0.333 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)[C@H](CC)[NH+](C)C)s1 ZINC001133963102 838793980 /nfs/dbraw/zinc/79/39/80/838793980.db2.gz PIKFYAWMZLRTEJ-JTQLQIEISA-N 2 2 299.444 0.647 20 0 CCADLP CC[C@@H](C(=O)NCC[NH2+]Cc1nnc(C(C)C)o1)[NH+](C)C ZINC001133983016 838803699 /nfs/dbraw/zinc/80/36/99/838803699.db2.gz VDFOKAAOEOHYSM-NSHDSACASA-N 2 2 297.403 0.739 20 0 CCADLP CC(C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134045391 838841380 /nfs/dbraw/zinc/84/13/80/838841380.db2.gz DVKSEVVRTGJWBE-GHMZBOCLSA-N 2 2 250.346 0.638 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]C[C@H](O)C1CCCCC1 ZINC001134393068 838964228 /nfs/dbraw/zinc/96/42/28/838964228.db2.gz INLFVMKBKKMGOH-AWEZNQCLSA-N 2 2 294.399 0.599 20 0 CCADLP C[C@@H](CC(=O)NCC[NH2+]Cc1cncn1C)n1cc[nH+]c1 ZINC001134495087 838993277 /nfs/dbraw/zinc/99/32/77/838993277.db2.gz POSFIMMXOJYWIO-LBPRGKRZSA-N 2 2 290.371 0.474 20 0 CCADLP C[C@@H](CC(=O)NCC[NH2+]C[C@@H]1CCOC1)n1cc[nH+]c1 ZINC001134517865 839000139 /nfs/dbraw/zinc/00/01/39/839000139.db2.gz UZBRWHKYXBCNKU-STQMWFEESA-N 2 2 280.372 0.577 20 0 CCADLP COCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134546210 839004799 /nfs/dbraw/zinc/00/47/99/839004799.db2.gz XQILQLMXLIYLFV-RYUDHWBXSA-N 2 2 282.388 0.862 20 0 CCADLP COCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134546210 839004807 /nfs/dbraw/zinc/00/48/07/839004807.db2.gz XQILQLMXLIYLFV-RYUDHWBXSA-N 2 2 282.388 0.862 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCO)c[nH+]1 ZINC001134730140 839057049 /nfs/dbraw/zinc/05/70/49/839057049.db2.gz TXBYZXMKPBVTNP-NEPJUHHUSA-N 2 2 296.415 0.792 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1nnc(C)s1 ZINC001135508604 839264402 /nfs/dbraw/zinc/26/44/02/839264402.db2.gz SRQQVFFQMGFNBC-UHFFFAOYSA-N 2 2 285.417 0.394 20 0 CCADLP CCc1noc([C@H](C)[NH2+]CCNC(=O)C[NH+](CC)CC)n1 ZINC001135513592 839281142 /nfs/dbraw/zinc/28/11/42/839281142.db2.gz RHNUGRPJVTWELV-NSHDSACASA-N 2 2 297.403 0.741 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCCC[NH2+]C[C@@H]1CCCOC1 ZINC001159537297 839361206 /nfs/dbraw/zinc/36/12/06/839361206.db2.gz SPYINYUSPVURIV-ZDUSSCGKSA-N 2 2 294.399 0.865 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCCC[NH2+]C[C@@H]1CCCOC1 ZINC001159537297 839361217 /nfs/dbraw/zinc/36/12/17/839361217.db2.gz SPYINYUSPVURIV-ZDUSSCGKSA-N 2 2 294.399 0.865 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]C[C@@H]1CCCOC1 ZINC001135756055 839384402 /nfs/dbraw/zinc/38/44/02/839384402.db2.gz VNQZEXZBEGTOBU-NSHDSACASA-N 2 2 266.345 0.085 20 0 CCADLP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ccn2cc(N)[nH+]c2c1 ZINC001170873432 839477203 /nfs/dbraw/zinc/47/72/03/839477203.db2.gz BAOGMRKLNMMTSY-GHMZBOCLSA-N 2 2 289.339 0.480 20 0 CCADLP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001090601395 839667724 /nfs/dbraw/zinc/66/77/24/839667724.db2.gz QMRKHZSWNXBJHL-KBPBESRZSA-N 2 2 292.383 0.470 20 0 CCADLP CC(C)=CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001090601395 839667725 /nfs/dbraw/zinc/66/77/25/839667725.db2.gz QMRKHZSWNXBJHL-KBPBESRZSA-N 2 2 292.383 0.470 20 0 CCADLP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)O1 ZINC001246287317 839762177 /nfs/dbraw/zinc/76/21/77/839762177.db2.gz LUYYTFDELGHERQ-XVIXHAIJSA-N 3 2 271.405 0.441 20 0 CCADLP CCCCOC(=O)CC[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@@H]1CO ZINC001246300010 839775188 /nfs/dbraw/zinc/77/51/88/839775188.db2.gz OKNKFVGKWAULGW-YNEHKIRRSA-N 2 2 272.389 0.668 20 0 CCADLP [NH3+]CCNCC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246406827 839833880 /nfs/dbraw/zinc/83/38/80/839833880.db2.gz VDBCTODOHHYQQQ-LSDHHAIUSA-N 3 2 262.401 0.618 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CC2CCC2)C[C@@H]1O ZINC001090846662 839851526 /nfs/dbraw/zinc/85/15/26/839851526.db2.gz HOFDHGFUSBCXFE-KGLIPLIRSA-N 2 2 292.383 0.235 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](CC2CCC2)C[C@@H]1O ZINC001090846662 839851536 /nfs/dbraw/zinc/85/15/36/839851536.db2.gz HOFDHGFUSBCXFE-KGLIPLIRSA-N 2 2 292.383 0.235 20 0 CCADLP O=C(C[N@H+]1CC[C@@H](O)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC001186044740 844494105 /nfs/dbraw/zinc/49/41/05/844494105.db2.gz JRJNYQQREDOXGH-CYBMUJFWSA-N 2 2 278.356 0.113 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H](O)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC001186044740 844494106 /nfs/dbraw/zinc/49/41/06/844494106.db2.gz JRJNYQQREDOXGH-CYBMUJFWSA-N 2 2 278.356 0.113 20 0 CCADLP O=C(C[N@H+]1CC[C@@H](O)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001186046117 844496518 /nfs/dbraw/zinc/49/65/18/844496518.db2.gz ZGBHIVMIVAIRFV-VXGBXAGGSA-N 2 2 278.356 0.182 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H](O)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001186046117 844496523 /nfs/dbraw/zinc/49/65/23/844496523.db2.gz ZGBHIVMIVAIRFV-VXGBXAGGSA-N 2 2 278.356 0.182 20 0 CCADLP CC[NH2+]C1CC(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001091105460 840049374 /nfs/dbraw/zinc/04/93/74/840049374.db2.gz NNJHOBCFECHOCV-CPCZMJQVSA-N 2 2 276.384 0.950 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]CC[C@@H]1CCCO1 ZINC001171237429 840175904 /nfs/dbraw/zinc/17/59/04/840175904.db2.gz JPPIJPJOSSQYSO-AWEZNQCLSA-N 2 2 294.399 0.628 20 0 CCADLP CC[N@H+](C)CCC(=O)NCC[NH2+][C@H](C)c1csnn1 ZINC001146705766 840342834 /nfs/dbraw/zinc/34/28/34/840342834.db2.gz UDWNUOWUYNFRDE-SNVBAGLBSA-N 2 2 285.417 0.647 20 0 CCADLP CC[N@@H+](C)CCC(=O)NCC[NH2+][C@H](C)c1csnn1 ZINC001146705766 840342841 /nfs/dbraw/zinc/34/28/41/840342841.db2.gz UDWNUOWUYNFRDE-SNVBAGLBSA-N 2 2 285.417 0.647 20 0 CCADLP C[C@H](C[C@@H](C)[NH2+]CC(N)=O)NC(=O)CCCn1cc[nH+]c1 ZINC001146706812 840347294 /nfs/dbraw/zinc/34/72/94/840347294.db2.gz JEXLWKYPKLRKPI-VXGBXAGGSA-N 2 2 295.387 0.022 20 0 CCADLP [NH3+][C@H]1C[N@@H+](C2CCC3(CC[NH2+]C3)CC2)CC12COC2 ZINC001246988922 840687881 /nfs/dbraw/zinc/68/78/81/840687881.db2.gz KFRMDSNRRIUYQG-MOKVOYLWSA-N 3 2 265.401 0.568 20 0 CCADLP [NH3+][C@H]1C[N@H+](C2CCC3(CC[NH2+]C3)CC2)CC12COC2 ZINC001246988922 840687890 /nfs/dbraw/zinc/68/78/90/840687890.db2.gz KFRMDSNRRIUYQG-MOKVOYLWSA-N 3 2 265.401 0.568 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)o1 ZINC001147970609 840724622 /nfs/dbraw/zinc/72/46/22/840724622.db2.gz MQQRZLUIMVLQCK-UHFFFAOYSA-N 2 2 278.356 0.285 20 0 CCADLP CC(C)COCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186575773 844569913 /nfs/dbraw/zinc/56/99/13/844569913.db2.gz BPBXBLOQAXGEOY-CYBMUJFWSA-N 2 2 294.399 0.815 20 0 CCADLP CCC[N@H+](C)CCC(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001148570989 840840433 /nfs/dbraw/zinc/84/04/33/840840433.db2.gz QHNQYVTZHZOZHP-UHFFFAOYSA-N 2 2 283.376 0.316 20 0 CCADLP CCC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1nnc(C)o1 ZINC001148570989 840840444 /nfs/dbraw/zinc/84/04/44/840840444.db2.gz QHNQYVTZHZOZHP-UHFFFAOYSA-N 2 2 283.376 0.316 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)[C@@H]1CC12CC[NH+](C)CC2 ZINC001273524952 844587793 /nfs/dbraw/zinc/58/77/93/844587793.db2.gz MTHRJNGGHHLCKQ-LBPRGKRZSA-N 2 2 262.357 0.768 20 0 CCADLP CCN(CC[NH2+]CCCO)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001273456459 840953545 /nfs/dbraw/zinc/95/35/45/840953545.db2.gz ALHXKHWAUAFRTA-UHFFFAOYSA-N 2 2 290.367 0.997 20 0 CCADLP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000713043705 841119822 /nfs/dbraw/zinc/11/98/22/841119822.db2.gz WPTXGFILIJHKOH-QWHCGFSZSA-N 2 2 285.432 0.833 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]2[C@H](CC[N@H+]2CCO)C1 ZINC001036734305 841150365 /nfs/dbraw/zinc/15/03/65/841150365.db2.gz POFFADSGKORLJJ-OCCSQVGLSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]2[C@H](CC[N@@H+]2CCO)C1 ZINC001036734305 841150367 /nfs/dbraw/zinc/15/03/67/841150367.db2.gz POFFADSGKORLJJ-OCCSQVGLSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]2[C@H](CC[N@H+]2CCO)C1 ZINC001036734305 841150372 /nfs/dbraw/zinc/15/03/72/841150372.db2.gz POFFADSGKORLJJ-OCCSQVGLSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]2[C@H](CC[N@@H+]2CCO)C1 ZINC001036734305 841150374 /nfs/dbraw/zinc/15/03/74/841150374.db2.gz POFFADSGKORLJJ-OCCSQVGLSA-N 2 2 292.383 0.257 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)CCO1 ZINC000715013076 841244097 /nfs/dbraw/zinc/24/40/97/841244097.db2.gz YDURBLOYIDDBQF-MCIONIFRSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)CCO1 ZINC000715013076 841244103 /nfs/dbraw/zinc/24/41/03/841244103.db2.gz YDURBLOYIDDBQF-MCIONIFRSA-N 2 2 281.400 0.308 20 0 CCADLP Cc1nc(NCCNC(=O)[C@@H]2CCC[N@H+]2C)cc[nH+]1 ZINC001093531610 841314614 /nfs/dbraw/zinc/31/46/14/841314614.db2.gz LQLSBOOSQAKLDE-NSHDSACASA-N 2 2 263.345 0.407 20 0 CCADLP Cc1nc(NCCNC(=O)[C@@H]2CCC[N@@H+]2C)cc[nH+]1 ZINC001093531610 841314627 /nfs/dbraw/zinc/31/46/27/841314627.db2.gz LQLSBOOSQAKLDE-NSHDSACASA-N 2 2 263.345 0.407 20 0 CCADLP Cc1nc(NCCCNC(=O)[C@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001094435026 841636222 /nfs/dbraw/zinc/63/62/22/841636222.db2.gz OPKCMNDSGQCYIZ-LBPRGKRZSA-N 2 2 277.372 0.655 20 0 CCADLP Cc1nc(NCCCNC(=O)[C@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001094435026 841636228 /nfs/dbraw/zinc/63/62/28/841636228.db2.gz OPKCMNDSGQCYIZ-LBPRGKRZSA-N 2 2 277.372 0.655 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCO)C1 ZINC001036881184 841645157 /nfs/dbraw/zinc/64/51/57/841645157.db2.gz QXNWWANBDPUXKP-JSGCOSHPSA-N 2 2 292.383 0.176 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CCO)C1 ZINC001036881184 841645161 /nfs/dbraw/zinc/64/51/61/841645161.db2.gz QXNWWANBDPUXKP-JSGCOSHPSA-N 2 2 292.383 0.176 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CC(=O)N(CC2CC2)C1)C1CC1 ZINC000716803738 841683145 /nfs/dbraw/zinc/68/31/45/841683145.db2.gz HFXSPRIWEBEQSD-JSGCOSHPSA-N 2 2 281.400 0.042 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CC(=O)N(CC2CC2)C1)C1CC1 ZINC000716803738 841683151 /nfs/dbraw/zinc/68/31/51/841683151.db2.gz HFXSPRIWEBEQSD-JSGCOSHPSA-N 2 2 281.400 0.042 20 0 CCADLP COC(=O)[C@@H](CCCC[NH3+])[NH2+]C1C[C@@H]2COC[C@H](C1)N2C ZINC001172125483 841834785 /nfs/dbraw/zinc/83/47/85/841834785.db2.gz ZRZFIXVNSGUKME-WTUNAVPPSA-N 2 2 299.415 0.108 20 0 CCADLP CN1[C@H]2COC[C@@H]1CC([N@H+]1C[C@H]3[C@H](C1)CCC[NH+]3C)C2 ZINC001172140727 841845758 /nfs/dbraw/zinc/84/57/58/841845758.db2.gz KGXAAAFWAKOTAX-IXIBIKRGSA-N 2 2 279.428 0.874 20 0 CCADLP CN1[C@H]2COC[C@@H]1CC([N@@H+]1C[C@H]3[C@H](C1)CCC[NH+]3C)C2 ZINC001172140727 841845765 /nfs/dbraw/zinc/84/57/65/841845765.db2.gz KGXAAAFWAKOTAX-IXIBIKRGSA-N 2 2 279.428 0.874 20 0 CCADLP CN1[C@H]2COC[C@@H]1CC([NH+]1C[C@H]3[C@H](C1)CCC[N@@H+]3C)C2 ZINC001172140727 841845770 /nfs/dbraw/zinc/84/57/70/841845770.db2.gz KGXAAAFWAKOTAX-IXIBIKRGSA-N 2 2 279.428 0.874 20 0 CCADLP CN1[C@H]2COC[C@@H]1CC([NH+]1C[C@H]3[C@H](C1)CCC[N@H+]3C)C2 ZINC001172140727 841845779 /nfs/dbraw/zinc/84/57/79/841845779.db2.gz KGXAAAFWAKOTAX-IXIBIKRGSA-N 2 2 279.428 0.874 20 0 CCADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(CC[NH3+])CC1)C2 ZINC001172104235 841847114 /nfs/dbraw/zinc/84/71/14/841847114.db2.gz DPLYUEWWWYLVQA-QDMKHBRRSA-N 3 2 266.433 0.578 20 0 CCADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN(CC[NH3+])CC1)C2 ZINC001172104235 841847121 /nfs/dbraw/zinc/84/71/21/841847121.db2.gz DPLYUEWWWYLVQA-QDMKHBRRSA-N 3 2 266.433 0.578 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172106505 841849645 /nfs/dbraw/zinc/84/96/45/841849645.db2.gz PPSUMAVJHLTITD-ZSOGYDGISA-N 3 2 279.432 0.773 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172106505 841849647 /nfs/dbraw/zinc/84/96/47/841849647.db2.gz PPSUMAVJHLTITD-ZSOGYDGISA-N 3 2 279.432 0.773 20 0 CCADLP COCCC[NH+]1CCC(n2c[nH+]cc2C[C@@H]([NH3+])CO)CC1 ZINC001172247154 841908999 /nfs/dbraw/zinc/90/89/99/841908999.db2.gz HLAVGHRLHMFGEE-CYBMUJFWSA-N 3 2 296.415 0.419 20 0 CCADLP COCCC[NH+]1CCC([N@@H+]2CCOC[C@H](O)C2)CC1 ZINC001172252489 841911623 /nfs/dbraw/zinc/91/16/23/841911623.db2.gz ODNCPHGVTKIYGR-CQSZACIVSA-N 2 2 272.389 0.180 20 0 CCADLP COCCC[NH+]1CCC([N@H+]2CCOC[C@H](O)C2)CC1 ZINC001172252489 841911633 /nfs/dbraw/zinc/91/16/33/841911633.db2.gz ODNCPHGVTKIYGR-CQSZACIVSA-N 2 2 272.389 0.180 20 0 CCADLP COCCC[NH+]1CCC([N@@H+]2CCCC[C@H]2C(N)=O)CC1 ZINC001172255346 841915095 /nfs/dbraw/zinc/91/50/95/841915095.db2.gz PAFKVFTWPNAJIS-AWEZNQCLSA-N 2 2 283.416 0.827 20 0 CCADLP COCCC[NH+]1CCC([N@H+]2CCCC[C@H]2C(N)=O)CC1 ZINC001172255346 841915101 /nfs/dbraw/zinc/91/51/01/841915101.db2.gz PAFKVFTWPNAJIS-AWEZNQCLSA-N 2 2 283.416 0.827 20 0 CCADLP C[NH+]1CCN(C2C[NH+]([C@H]3COC(C)(C)C3)C2)CC1 ZINC001172296736 841920781 /nfs/dbraw/zinc/92/07/81/841920781.db2.gz YPAXMEFNICRBKC-GFCCVEGCSA-N 2 2 253.390 0.486 20 0 CCADLP CNc1nccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)n1 ZINC001206175204 841967471 /nfs/dbraw/zinc/96/74/71/841967471.db2.gz SGXXPDSNJWRSOW-QWRGUYRKSA-N 2 2 253.325 0.780 20 0 CCADLP CNc1nccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)n1 ZINC001206175204 841967480 /nfs/dbraw/zinc/96/74/80/841967480.db2.gz SGXXPDSNJWRSOW-QWRGUYRKSA-N 2 2 253.325 0.780 20 0 CCADLP CCN(CC)c1cc(N2CCO[C@@H](C[NH3+])C2)nc[nH+]1 ZINC000258704010 841970336 /nfs/dbraw/zinc/97/03/36/841970336.db2.gz KPXDXDQVJQVFLR-NSHDSACASA-N 2 2 265.361 0.487 20 0 CCADLP CCN(CC)c1cc(N2CCO[C@@H](C[NH3+])C2)[nH+]cn1 ZINC000258704010 841970346 /nfs/dbraw/zinc/97/03/46/841970346.db2.gz KPXDXDQVJQVFLR-NSHDSACASA-N 2 2 265.361 0.487 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173735531 842134523 /nfs/dbraw/zinc/13/45/23/842134523.db2.gz UKWDIYULUKASDF-JHJVBQTASA-N 2 2 264.377 0.841 20 0 CCADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173735531 842134528 /nfs/dbraw/zinc/13/45/28/842134528.db2.gz UKWDIYULUKASDF-JHJVBQTASA-N 2 2 264.377 0.841 20 0 CCADLP CCC[NH+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001176831788 842417901 /nfs/dbraw/zinc/41/79/01/842417901.db2.gz XYTRBVTZDKTYJO-VXGBXAGGSA-N 2 2 262.357 0.752 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]Cc1ccon1 ZINC001177400046 842575709 /nfs/dbraw/zinc/57/57/09/842575709.db2.gz BTZZRYKEIVODOA-UHFFFAOYSA-N 2 2 263.301 0.167 20 0 CCADLP C[C@H]1C[C@@H](C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)CCO1 ZINC001177404815 842578448 /nfs/dbraw/zinc/57/84/48/842578448.db2.gz HILRCTRSHQAOFX-KBPBESRZSA-N 2 2 294.399 0.794 20 0 CCADLP Cc1nccnc1C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177405237 842578463 /nfs/dbraw/zinc/57/84/63/842578463.db2.gz LQHUNRYAQDMTFA-UHFFFAOYSA-N 2 2 288.355 0.278 20 0 CCADLP Cc1ncc(C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)s1 ZINC001177406004 842579168 /nfs/dbraw/zinc/57/91/68/842579168.db2.gz VKCXPUVMCCJBSH-UHFFFAOYSA-N 2 2 293.396 0.944 20 0 CCADLP C[C@H]1CC[C@@H](C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)O1 ZINC001177405954 842579369 /nfs/dbraw/zinc/57/93/69/842579369.db2.gz SWGYVAHKJJDCAU-STQMWFEESA-N 2 2 280.372 0.547 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCCNC(=O)Cn2cc[nH+]c2)[nH]1 ZINC001177406297 842580604 /nfs/dbraw/zinc/58/06/04/842580604.db2.gz VSMNAGCJJCHYCM-JTQLQIEISA-N 2 2 291.359 0.167 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]CCOCC1CC1 ZINC001177411447 842585177 /nfs/dbraw/zinc/58/51/77/842585177.db2.gz ZWWHTXHYXQNJEJ-UHFFFAOYSA-N 2 2 280.372 0.406 20 0 CCADLP C[C@@H]1CN(CC[NH2+]Cc2c[nH+]ccc2N(C)C)CCO1 ZINC001177748418 842666230 /nfs/dbraw/zinc/66/62/30/842666230.db2.gz BGMORSLQKMVNAI-CYBMUJFWSA-N 2 2 278.400 0.958 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[NH+](CCF)CCCO1 ZINC001150779259 842786987 /nfs/dbraw/zinc/78/69/87/842786987.db2.gz RFIRIROZCNROEE-ZDUSSCGKSA-N 2 2 289.395 0.503 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC[C@H]1C[NH+](CCF)CCCO1 ZINC001150779259 842786991 /nfs/dbraw/zinc/78/69/91/842786991.db2.gz RFIRIROZCNROEE-ZDUSSCGKSA-N 2 2 289.395 0.503 20 0 CCADLP CC(C)[NH+](C)CC(=O)NC[C@H]1C[N@H+](CCF)CCCO1 ZINC001150779259 842786994 /nfs/dbraw/zinc/78/69/94/842786994.db2.gz RFIRIROZCNROEE-ZDUSSCGKSA-N 2 2 289.395 0.503 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@H]1C ZINC001178572470 842881565 /nfs/dbraw/zinc/88/15/65/842881565.db2.gz ITNMYCHBLZWKJQ-AGIUHOORSA-N 2 2 294.399 0.956 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC001178853918 842931577 /nfs/dbraw/zinc/93/15/77/842931577.db2.gz YTRQVJJGGOOCFV-OBJOEFQTSA-N 2 2 294.399 0.956 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC001178853918 842931582 /nfs/dbraw/zinc/93/15/82/842931582.db2.gz YTRQVJJGGOOCFV-OBJOEFQTSA-N 2 2 294.399 0.956 20 0 CCADLP C[C@H](O)CCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001180279796 843142008 /nfs/dbraw/zinc/14/20/08/843142008.db2.gz LBEKKEKIPURONB-IHRRRGAJSA-N 2 2 294.399 0.623 20 0 CCADLP CC[NH+](CC)CC(=O)NCC1([NH+]2CCCC2)COC1 ZINC001180390394 843161281 /nfs/dbraw/zinc/16/12/81/843161281.db2.gz QRBSEEORALAKIH-UHFFFAOYSA-N 2 2 269.389 0.309 20 0 CCADLP Cc1c[nH]c(CCNC(=O)[C@H](C)[NH+]2CCCC2)[nH+]1 ZINC001180586301 843221598 /nfs/dbraw/zinc/22/15/98/843221598.db2.gz VUHXIIXVCOGQKW-NSHDSACASA-N 2 2 250.346 0.861 20 0 CCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3cc[nH+]c(N)c3)C[C@@H]21 ZINC001181256347 843447872 /nfs/dbraw/zinc/44/78/72/843447872.db2.gz OPTFAPKORLAVPZ-OLZOCXBDSA-N 2 2 274.368 0.759 20 0 CCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)Cc3cc[nH+]c(N)c3)C[C@@H]21 ZINC001181256347 843447876 /nfs/dbraw/zinc/44/78/76/843447876.db2.gz OPTFAPKORLAVPZ-OLZOCXBDSA-N 2 2 274.368 0.759 20 0 CCADLP CN(CC[NH+]1CCCC1)C(=O)Cc1cc[nH+]c(N)c1 ZINC001181255321 843448312 /nfs/dbraw/zinc/44/83/12/843448312.db2.gz LCFQFHDAKMIPFZ-UHFFFAOYSA-N 2 2 262.357 0.761 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2[nH]nc3cc(F)ccc32)C[C@H]1O ZINC001206480656 843718752 /nfs/dbraw/zinc/71/87/52/843718752.db2.gz HFXUVFDUUVYNJN-ISVAXAHUSA-N 2 2 264.304 0.453 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2[nH]nc3cc(F)ccc32)C[C@H]1O ZINC001206480656 843718756 /nfs/dbraw/zinc/71/87/56/843718756.db2.gz HFXUVFDUUVYNJN-ISVAXAHUSA-N 2 2 264.304 0.453 20 0 CCADLP COC(=O)c1ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1F ZINC001206481446 843731028 /nfs/dbraw/zinc/73/10/28/843731028.db2.gz UBJANMMLIDKLRP-GXFFZTMASA-N 2 2 282.315 0.364 20 0 CCADLP COC(=O)c1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1F ZINC001206481446 843731042 /nfs/dbraw/zinc/73/10/42/843731042.db2.gz UBJANMMLIDKLRP-GXFFZTMASA-N 2 2 282.315 0.364 20 0 CCADLP CCOCC[N@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001190559615 845427727 /nfs/dbraw/zinc/42/77/27/845427727.db2.gz ZKOJHDOHDOUKIO-CQSZACIVSA-N 2 2 294.399 0.912 20 0 CCADLP CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001190559615 845427736 /nfs/dbraw/zinc/42/77/36/845427736.db2.gz ZKOJHDOHDOUKIO-CQSZACIVSA-N 2 2 294.399 0.912 20 0 CCADLP CCOCC[N@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001190559615 845427745 /nfs/dbraw/zinc/42/77/45/845427745.db2.gz ZKOJHDOHDOUKIO-CQSZACIVSA-N 2 2 294.399 0.912 20 0 CCADLP CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001190559615 845427752 /nfs/dbraw/zinc/42/77/52/845427752.db2.gz ZKOJHDOHDOUKIO-CQSZACIVSA-N 2 2 294.399 0.912 20 0 CCADLP CCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001193602151 846138412 /nfs/dbraw/zinc/13/84/12/846138412.db2.gz SIQXSYBIHMJCEE-ZIAGYGMSSA-N 2 2 294.399 0.694 20 0 CCADLP CCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001193602151 846138417 /nfs/dbraw/zinc/13/84/17/846138417.db2.gz SIQXSYBIHMJCEE-ZIAGYGMSSA-N 2 2 294.399 0.694 20 0 CCADLP CCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001193602151 846138423 /nfs/dbraw/zinc/13/84/23/846138423.db2.gz SIQXSYBIHMJCEE-ZIAGYGMSSA-N 2 2 294.399 0.694 20 0 CCADLP CCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001193602151 846138430 /nfs/dbraw/zinc/13/84/30/846138430.db2.gz SIQXSYBIHMJCEE-ZIAGYGMSSA-N 2 2 294.399 0.694 20 0 CCADLP COCC[N@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193696050 846146358 /nfs/dbraw/zinc/14/63/58/846146358.db2.gz PEUWSXQADVJAFR-GFCCVEGCSA-N 2 2 280.372 0.440 20 0 CCADLP COCC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193696050 846146361 /nfs/dbraw/zinc/14/63/61/846146361.db2.gz PEUWSXQADVJAFR-GFCCVEGCSA-N 2 2 280.372 0.440 20 0 CCADLP COC(=O)c1cc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)ccn1 ZINC001205688847 846474135 /nfs/dbraw/zinc/47/41/35/846474135.db2.gz KZGGGWBRUKXOHF-HNNXBMFYSA-N 2 2 293.367 0.544 20 0 CCADLP COC(=O)c1cc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)ccn1 ZINC001205688847 846474144 /nfs/dbraw/zinc/47/41/44/846474144.db2.gz KZGGGWBRUKXOHF-HNNXBMFYSA-N 2 2 293.367 0.544 20 0 CCADLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1O)[NH+](C)C ZINC001196276479 846721427 /nfs/dbraw/zinc/72/14/27/846721427.db2.gz QXPFSFMFDIWSBX-NIJZVALHSA-N 2 2 289.807 0.240 20 0 CCADLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1O)[NH+](C)C ZINC001196276479 846721422 /nfs/dbraw/zinc/72/14/22/846721422.db2.gz QXPFSFMFDIWSBX-NIJZVALHSA-N 2 2 289.807 0.240 20 0 CCADLP CC(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001196500842 846766651 /nfs/dbraw/zinc/76/66/51/846766651.db2.gz WIVMLYWVMYOAIQ-MGPQQGTHSA-N 2 2 294.399 0.652 20 0 CCADLP CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001196500842 846766653 /nfs/dbraw/zinc/76/66/53/846766653.db2.gz WIVMLYWVMYOAIQ-MGPQQGTHSA-N 2 2 294.399 0.652 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)N1CC[N@@H+]2CC[C@H]2C1 ZINC001199349362 847293761 /nfs/dbraw/zinc/29/37/61/847293761.db2.gz IDQIPKXPAAFMIT-NSHDSACASA-N 2 2 260.341 0.678 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)N1CC[N@H+]2CC[C@H]2C1 ZINC001199349362 847293769 /nfs/dbraw/zinc/29/37/69/847293769.db2.gz IDQIPKXPAAFMIT-NSHDSACASA-N 2 2 260.341 0.678 20 0 CCADLP OC[C@@H](O)C[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001252060450 847741349 /nfs/dbraw/zinc/74/13/49/847741349.db2.gz UXQCVWKLPOQZCA-ZDUSSCGKSA-N 2 2 260.353 0.238 20 0 CCADLP Cc1cc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCC[N@H+]2C)no1 ZINC001273909396 847819742 /nfs/dbraw/zinc/81/97/42/847819742.db2.gz FAIGEOIZCVXCBU-VQTKUKTRSA-N 2 2 292.383 0.839 20 0 CCADLP Cc1cc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCC[N@@H+]2C)no1 ZINC001273909396 847819748 /nfs/dbraw/zinc/81/97/48/847819748.db2.gz FAIGEOIZCVXCBU-VQTKUKTRSA-N 2 2 292.383 0.839 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCO[C@@H](C[NH2+]CCF)C1 ZINC001201945338 847839127 /nfs/dbraw/zinc/83/91/27/847839127.db2.gz VGBDKGWJGFIIDX-LBPRGKRZSA-N 2 2 298.362 0.437 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](CCc2ccc(F)c(F)c2)C[C@H]1O ZINC001205946357 847895523 /nfs/dbraw/zinc/89/55/23/847895523.db2.gz KPFJYRVLXRAQDR-CHWSQXEVSA-N 2 2 256.296 0.901 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](CCc2ccc(F)c(F)c2)C[C@H]1O ZINC001205946357 847895528 /nfs/dbraw/zinc/89/55/28/847895528.db2.gz KPFJYRVLXRAQDR-CHWSQXEVSA-N 2 2 256.296 0.901 20 0 CCADLP C[C@H](O)C[N@@H+]1CCC[C@]12CCN(Cc1c[nH+]cn1C)C2=O ZINC001274051380 848324364 /nfs/dbraw/zinc/32/43/64/848324364.db2.gz FHXHRXUJTCGCKK-SWLSCSKDSA-N 2 2 292.383 0.368 20 0 CCADLP C[C@H](O)C[N@H+]1CCC[C@]12CCN(Cc1c[nH+]cn1C)C2=O ZINC001274051380 848324373 /nfs/dbraw/zinc/32/43/73/848324373.db2.gz FHXHRXUJTCGCKK-SWLSCSKDSA-N 2 2 292.383 0.368 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)n1 ZINC000718161039 848585080 /nfs/dbraw/zinc/58/50/80/848585080.db2.gz NYRVFHOZZUZSJS-DTORHVGOSA-N 2 2 252.318 0.342 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)n1 ZINC000718161039 848585091 /nfs/dbraw/zinc/58/50/91/848585091.db2.gz NYRVFHOZZUZSJS-DTORHVGOSA-N 2 2 252.318 0.342 20 0 CCADLP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1ccncn1)C2 ZINC001275224049 848670507 /nfs/dbraw/zinc/67/05/07/848670507.db2.gz QWCKYCXBDXOLKT-UHFFFAOYSA-N 2 2 261.373 0.156 20 0 CCADLP C[C@@H](F)CC[NH2+]C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001275383623 848706377 /nfs/dbraw/zinc/70/63/77/848706377.db2.gz YRKLPLYXLVBLGK-ZJUUUORDSA-N 2 2 256.325 0.795 20 0 CCADLP CCC[NH2+][C@H](C)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001275542965 848754958 /nfs/dbraw/zinc/75/49/58/848754958.db2.gz XNLBKZHUKZYKCW-MNOVXSKESA-N 2 2 252.362 0.855 20 0 CCADLP C(C[NH+]1CCOCC1)N1CC[NH+]([C@H]2CCCSC2)CC1 ZINC001257677829 849093553 /nfs/dbraw/zinc/09/35/53/849093553.db2.gz KPRRUXYIAVOCND-HNNXBMFYSA-N 2 2 299.484 0.832 20 0 CCADLP COC(=O)C1CCC([NH2+]C2(CO)CC[NH+](C)CC2)CC1 ZINC001257860096 849098889 /nfs/dbraw/zinc/09/88/89/849098889.db2.gz BYQIBDYTWCFBSF-UHFFFAOYSA-N 2 2 284.400 0.765 20 0 CCADLP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH+]ccn1C ZINC001114606654 849309950 /nfs/dbraw/zinc/30/99/50/849309950.db2.gz HRHDFACNDGGWKE-YABSGUDNSA-N 2 2 262.357 0.419 20 0 CCADLP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH+]ccn1C ZINC001114606654 849309952 /nfs/dbraw/zinc/30/99/52/849309952.db2.gz HRHDFACNDGGWKE-YABSGUDNSA-N 2 2 262.357 0.419 20 0 CCADLP C[N@H+]1C[C@H]2CN(Cc3[nH+]cc4ccccn43)C[C@@H](C1)O2 ZINC001276348360 849438193 /nfs/dbraw/zinc/43/81/93/849438193.db2.gz LRMMXDXCFMBECV-OKILXGFUSA-N 2 2 272.352 0.849 20 0 CCADLP C[N@@H+]1C[C@H]2CN(Cc3[nH+]cc4ccccn43)C[C@@H](C1)O2 ZINC001276348360 849438196 /nfs/dbraw/zinc/43/81/96/849438196.db2.gz LRMMXDXCFMBECV-OKILXGFUSA-N 2 2 272.352 0.849 20 0 CCADLP [NH3+]C[C@@H]1CN(CC[NH+]2CCOCC2)C[C@@H]1C(F)(F)F ZINC000720811372 849541510 /nfs/dbraw/zinc/54/15/10/849541510.db2.gz OMJYFLSGRPKTDX-MNOVXSKESA-N 2 2 281.322 0.388 20 0 CCADLP Cn1c[nH+]cc1CN1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720826385 849546984 /nfs/dbraw/zinc/54/69/84/849546984.db2.gz FJKHYPBIZFXSQX-WPRPVWTQSA-N 2 2 262.279 0.989 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001038643263 849793090 /nfs/dbraw/zinc/79/30/90/849793090.db2.gz GDFMWNSHBGYCFI-WCQYABFASA-N 2 2 295.383 0.526 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1occc1C[NH+](C)C ZINC001038643263 849793097 /nfs/dbraw/zinc/79/30/97/849793097.db2.gz GDFMWNSHBGYCFI-WCQYABFASA-N 2 2 295.383 0.526 20 0 CCADLP COCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001038411579 849884273 /nfs/dbraw/zinc/88/42/73/849884273.db2.gz JVLHFBGYOHWJSU-STQMWFEESA-N 2 2 292.383 0.282 20 0 CCADLP COCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001038411579 849884277 /nfs/dbraw/zinc/88/42/77/849884277.db2.gz JVLHFBGYOHWJSU-STQMWFEESA-N 2 2 292.383 0.282 20 0 CCADLP CCC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001038442218 849899061 /nfs/dbraw/zinc/89/90/61/849899061.db2.gz MTRADSTXYNLBGN-NSHDSACASA-N 2 2 280.372 0.950 20 0 CCADLP CCC[N@H+]1CC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001038442218 849899069 /nfs/dbraw/zinc/89/90/69/849899069.db2.gz MTRADSTXYNLBGN-NSHDSACASA-N 2 2 280.372 0.950 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001038444257 849903521 /nfs/dbraw/zinc/90/35/21/849903521.db2.gz ZJYHHLIMWVNAQZ-SNVBAGLBSA-N 2 2 266.345 0.560 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001038444257 849903529 /nfs/dbraw/zinc/90/35/29/849903529.db2.gz ZJYHHLIMWVNAQZ-SNVBAGLBSA-N 2 2 266.345 0.560 20 0 CCADLP O=C(NC[C@@H]1CC[N@H+]1CCCO)c1ccn2c[nH+]cc2c1 ZINC001038465057 849913395 /nfs/dbraw/zinc/91/33/95/849913395.db2.gz JAGGUJIAIDUEAI-ZDUSSCGKSA-N 2 2 288.351 0.521 20 0 CCADLP O=C(NC[C@@H]1CC[N@@H+]1CCCO)c1ccn2c[nH+]cc2c1 ZINC001038465057 849913400 /nfs/dbraw/zinc/91/34/00/849913400.db2.gz JAGGUJIAIDUEAI-ZDUSSCGKSA-N 2 2 288.351 0.521 20 0 CCADLP Cc1ncc(C[NH+]2CC[C@@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001039026097 850127646 /nfs/dbraw/zinc/12/76/46/850127646.db2.gz DIIUHFLGFUMICE-QWHCGFSZSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1ncc(C[NH+]2CC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001039026097 850127654 /nfs/dbraw/zinc/12/76/54/850127654.db2.gz DIIUHFLGFUMICE-QWHCGFSZSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1ncc(C[N@H+]2CC[C@@H]2CNC(=O)[C@H]2CC[NH+](C)C2)o1 ZINC001039026097 850127666 /nfs/dbraw/zinc/12/76/66/850127666.db2.gz DIIUHFLGFUMICE-QWHCGFSZSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1ncc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H]2CC[NH+](C)C2)o1 ZINC001039026097 850127679 /nfs/dbraw/zinc/12/76/79/850127679.db2.gz DIIUHFLGFUMICE-QWHCGFSZSA-N 2 2 292.383 0.625 20 0 CCADLP CC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001042314678 850613439 /nfs/dbraw/zinc/61/34/39/850613439.db2.gz VAFSACHNAMJSAX-JSGCOSHPSA-N 2 2 276.384 0.905 20 0 CCADLP CC[N@H+]1CC[C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001042314678 850613442 /nfs/dbraw/zinc/61/34/42/850613442.db2.gz VAFSACHNAMJSAX-JSGCOSHPSA-N 2 2 276.384 0.905 20 0 CCADLP CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001042385440 850623608 /nfs/dbraw/zinc/62/36/08/850623608.db2.gz SIOXMNONTLSPKW-CHWSQXEVSA-N 2 2 262.357 0.826 20 0 CCADLP CC[N@H+]1CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@H]21 ZINC001042385440 850623613 /nfs/dbraw/zinc/62/36/13/850623613.db2.gz SIOXMNONTLSPKW-CHWSQXEVSA-N 2 2 262.357 0.826 20 0 CCADLP CC[C@H](C)C[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042570554 850700301 /nfs/dbraw/zinc/70/03/01/850700301.db2.gz VJONYWWSIVGSMO-GXTWGEPZSA-N 2 2 283.416 0.506 20 0 CCADLP CC[C@H](C)C[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042570554 850700308 /nfs/dbraw/zinc/70/03/08/850700308.db2.gz VJONYWWSIVGSMO-GXTWGEPZSA-N 2 2 283.416 0.506 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CCCO)C1 ZINC001042710953 850740904 /nfs/dbraw/zinc/74/09/04/850740904.db2.gz MJTFSZQXNILCGR-AWEZNQCLSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C1C[NH+](CCCO)C1 ZINC001042710953 850740911 /nfs/dbraw/zinc/74/09/11/850740911.db2.gz MJTFSZQXNILCGR-AWEZNQCLSA-N 2 2 283.416 0.384 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001042727575 850745602 /nfs/dbraw/zinc/74/56/02/850745602.db2.gz NCCNYMHDMUSXPS-CQSZACIVSA-N 2 2 281.400 0.117 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)C1C[NH+](CCO)C1 ZINC001042924759 850782560 /nfs/dbraw/zinc/78/25/60/850782560.db2.gz UHAWPQLBQVJJFO-ZDUSSCGKSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[N@H+]1CCC[C@H]1CC(=O)N(C)C1C[NH+](CCO)C1 ZINC001042924759 850782563 /nfs/dbraw/zinc/78/25/63/850782563.db2.gz UHAWPQLBQVJJFO-ZDUSSCGKSA-N 2 2 283.416 0.384 20 0 CCADLP CC[N@H+](CCn1cc[nH+]c1)C[C@@H](O)C(=O)OC(C)(C)C ZINC001253690372 850894369 /nfs/dbraw/zinc/89/43/69/850894369.db2.gz ZPZOLWGPNFBXDB-GFCCVEGCSA-N 2 2 283.372 0.908 20 0 CCADLP CC[N@@H+](CCn1cc[nH+]c1)C[C@@H](O)C(=O)OC(C)(C)C ZINC001253690372 850894376 /nfs/dbraw/zinc/89/43/76/850894376.db2.gz ZPZOLWGPNFBXDB-GFCCVEGCSA-N 2 2 283.372 0.908 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001043637312 850914878 /nfs/dbraw/zinc/91/48/78/850914878.db2.gz HOLBHXYQXFIOHF-STQMWFEESA-N 2 2 283.416 0.506 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001043637312 850914886 /nfs/dbraw/zinc/91/48/86/850914886.db2.gz HOLBHXYQXFIOHF-STQMWFEESA-N 2 2 283.416 0.506 20 0 CCADLP C[C@@H](O)C[NH+]1CC(N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001043878235 850954767 /nfs/dbraw/zinc/95/47/67/850954767.db2.gz CUYBJLDEEUAXAY-GFCCVEGCSA-N 2 2 283.416 0.242 20 0 CCADLP C[C@@H](O)C[NH+]1CC(N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001043878235 850954768 /nfs/dbraw/zinc/95/47/68/850954768.db2.gz CUYBJLDEEUAXAY-GFCCVEGCSA-N 2 2 283.416 0.242 20 0 CCADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1C[NH+](CC[C@@H]2CCOC2)C1 ZINC001043976747 850976325 /nfs/dbraw/zinc/97/63/25/850976325.db2.gz XJJMOJCKPIPWNR-GFCCVEGCSA-N 2 2 292.383 0.521 20 0 CCADLP CN(C(=O)Cc1c[nH+]cn1C)C1C[NH+](CC2CC2)C1 ZINC001044187407 851038695 /nfs/dbraw/zinc/03/86/95/851038695.db2.gz CCOYRFIHGPBUSG-UHFFFAOYSA-N 2 2 262.357 0.515 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001044758263 851153966 /nfs/dbraw/zinc/15/39/66/851153966.db2.gz YENCBHZCSJUDKG-GHMZBOCLSA-N 2 2 250.346 0.941 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)NC2(C)CC[NH+](CC3CC3)CC2)C1 ZINC001045397558 851249205 /nfs/dbraw/zinc/24/92/05/851249205.db2.gz GPBOCQJUUACSSB-AWEZNQCLSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)NC2(C)CC[NH+](CC3CC3)CC2)C1 ZINC001045397558 851249217 /nfs/dbraw/zinc/24/92/17/851249217.db2.gz GPBOCQJUUACSSB-AWEZNQCLSA-N 2 2 295.427 0.698 20 0 CCADLP CC(C)[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001045398262 851250972 /nfs/dbraw/zinc/25/09/72/851250972.db2.gz XXFQJNHOWGOHPM-CYBMUJFWSA-N 2 2 283.416 0.696 20 0 CCADLP CC(C)[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001045398262 851250980 /nfs/dbraw/zinc/25/09/80/851250980.db2.gz XXFQJNHOWGOHPM-CYBMUJFWSA-N 2 2 283.416 0.696 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@]2(C)CC[NH+](CCC3CC3)C2)C1 ZINC001046219679 851428081 /nfs/dbraw/zinc/42/80/81/851428081.db2.gz PUNMVVVMGJVGIC-GOEBONIOSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N[C@]2(C)CC[NH+](CCC3CC3)C2)C1 ZINC001046219679 851428087 /nfs/dbraw/zinc/42/80/87/851428087.db2.gz PUNMVVVMGJVGIC-GOEBONIOSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@]2(C)CC[N@H+](CCC3CC3)C2)C1 ZINC001046219679 851428091 /nfs/dbraw/zinc/42/80/91/851428091.db2.gz PUNMVVVMGJVGIC-GOEBONIOSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@]2(C)CC[N@@H+](CCC3CC3)C2)C1 ZINC001046219679 851428100 /nfs/dbraw/zinc/42/81/00/851428100.db2.gz PUNMVVVMGJVGIC-GOEBONIOSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@]2(C)CC[NH+](CC3CC3)C2)C1 ZINC001046216505 851428293 /nfs/dbraw/zinc/42/82/93/851428293.db2.gz BNJVMJKGAQSRDD-ZFWWWQNUSA-N 2 2 281.400 0.308 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@]2(C)CC[NH+](CC3CC3)C2)C1 ZINC001046216505 851428298 /nfs/dbraw/zinc/42/82/98/851428298.db2.gz BNJVMJKGAQSRDD-ZFWWWQNUSA-N 2 2 281.400 0.308 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@@]2(C)CC[N@H+](CC3CC3)C2)C1 ZINC001046216505 851428300 /nfs/dbraw/zinc/42/83/00/851428300.db2.gz BNJVMJKGAQSRDD-ZFWWWQNUSA-N 2 2 281.400 0.308 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@@]2(C)CC[N@@H+](CC3CC3)C2)C1 ZINC001046216505 851428305 /nfs/dbraw/zinc/42/83/05/851428305.db2.gz BNJVMJKGAQSRDD-ZFWWWQNUSA-N 2 2 281.400 0.308 20 0 CCADLP COCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001046386933 851482965 /nfs/dbraw/zinc/48/29/65/851482965.db2.gz IOTOVXTWFVXDSX-JMSVASOKSA-N 2 2 292.383 0.740 20 0 CCADLP COCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001046386933 851482974 /nfs/dbraw/zinc/48/29/74/851482974.db2.gz IOTOVXTWFVXDSX-JMSVASOKSA-N 2 2 292.383 0.740 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCF ZINC001049929391 852397461 /nfs/dbraw/zinc/39/74/61/852397461.db2.gz AKFORSGOAFMSPM-STQMWFEESA-N 2 2 280.347 0.918 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCF ZINC001049929391 852397472 /nfs/dbraw/zinc/39/74/72/852397472.db2.gz AKFORSGOAFMSPM-STQMWFEESA-N 2 2 280.347 0.918 20 0 CCADLP COC[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052750935 852650959 /nfs/dbraw/zinc/65/09/59/852650959.db2.gz ONZRFIJZJMNTGA-OLZOCXBDSA-N 2 2 294.399 0.958 20 0 CCADLP COC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052750935 852650963 /nfs/dbraw/zinc/65/09/63/852650963.db2.gz ONZRFIJZJMNTGA-OLZOCXBDSA-N 2 2 294.399 0.958 20 0 CCADLP CC[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001052823246 852658678 /nfs/dbraw/zinc/65/86/78/852658678.db2.gz DMDUNHKICOIAHX-NSHDSACASA-N 2 2 250.346 0.943 20 0 CCADLP CC[N@H+]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001052823246 852658684 /nfs/dbraw/zinc/65/86/84/852658684.db2.gz DMDUNHKICOIAHX-NSHDSACASA-N 2 2 250.346 0.943 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)C(C)(C)[NH+]1CCCC1)CCO2 ZINC001053365065 852735174 /nfs/dbraw/zinc/73/51/74/852735174.db2.gz JVDAFHPFPJDUGJ-UHFFFAOYSA-N 2 2 295.427 0.794 20 0 CCADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)CO2 ZINC001053803524 852826684 /nfs/dbraw/zinc/82/66/84/852826684.db2.gz UIJVYBBWWNBPSL-ZIAGYGMSSA-N 2 2 293.411 0.308 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)CO2 ZINC001053926255 852849260 /nfs/dbraw/zinc/84/92/60/852849260.db2.gz ZVAZHHHVQDLNHC-ZDUSSCGKSA-N 2 2 295.427 0.698 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@H+]1CCC(C)(C)C1)CO2 ZINC001053926255 852849263 /nfs/dbraw/zinc/84/92/63/852849263.db2.gz ZVAZHHHVQDLNHC-ZDUSSCGKSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)N[C@H]2COC3(C[NH+](CCCF)C3)C2)C1 ZINC001054007864 852867099 /nfs/dbraw/zinc/86/70/99/852867099.db2.gz NKIDBJGEJXDPQC-QWHCGFSZSA-N 2 2 299.390 0.257 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)N[C@H]2COC3(C[NH+](CCCF)C3)C2)C1 ZINC001054007864 852867103 /nfs/dbraw/zinc/86/71/03/852867103.db2.gz NKIDBJGEJXDPQC-QWHCGFSZSA-N 2 2 299.390 0.257 20 0 CCADLP CC(C)[NH+]1CC2(C1)C[C@@H](NC(=O)C[NH+]1CCCC1)CO2 ZINC001054009403 852868830 /nfs/dbraw/zinc/86/88/30/852868830.db2.gz WCIRVKKARKZCDD-CYBMUJFWSA-N 2 2 281.400 0.450 20 0 CCADLP Cc1nc(N[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc[nH+]1 ZINC001056642267 853179585 /nfs/dbraw/zinc/17/95/85/853179585.db2.gz GZTWKAVRCWWABQ-CHWSQXEVSA-N 2 2 289.383 0.750 20 0 CCADLP Cc1nc(N[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)cc[nH+]1 ZINC001056642267 853179589 /nfs/dbraw/zinc/17/95/89/853179589.db2.gz GZTWKAVRCWWABQ-CHWSQXEVSA-N 2 2 289.383 0.750 20 0 CCADLP CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001050006797 853290743 /nfs/dbraw/zinc/29/07/43/853290743.db2.gz RGYCMCLKMISUOB-RRFJBIMHSA-N 2 2 295.427 0.650 20 0 CCADLP CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001050006797 853290752 /nfs/dbraw/zinc/29/07/52/853290752.db2.gz RGYCMCLKMISUOB-RRFJBIMHSA-N 2 2 295.427 0.650 20 0 CCADLP CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001050006797 853290760 /nfs/dbraw/zinc/29/07/60/853290760.db2.gz RGYCMCLKMISUOB-RRFJBIMHSA-N 2 2 295.427 0.650 20 0 CCADLP CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001050006797 853290772 /nfs/dbraw/zinc/29/07/72/853290772.db2.gz RGYCMCLKMISUOB-RRFJBIMHSA-N 2 2 295.427 0.650 20 0 CCADLP COCC[NH+]1CCC2(CN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001050772316 853425683 /nfs/dbraw/zinc/42/56/83/853425683.db2.gz MNGLFDKZVQIKAI-UHFFFAOYSA-N 2 2 292.383 0.454 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001051098571 853523512 /nfs/dbraw/zinc/52/35/12/853523512.db2.gz NVHIPBDAURBKGR-ZDUSSCGKSA-N 2 2 269.389 0.165 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001051098571 853523518 /nfs/dbraw/zinc/52/35/18/853523518.db2.gz NVHIPBDAURBKGR-ZDUSSCGKSA-N 2 2 269.389 0.165 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CCO1 ZINC001051690294 853624689 /nfs/dbraw/zinc/62/46/89/853624689.db2.gz GCSLMOFUVQWASL-GXTWGEPZSA-N 2 2 292.383 0.282 20 0 CCADLP CC[N@@H+]1CC[C@]2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)C[C@@H](C)O2 ZINC001071216622 854137276 /nfs/dbraw/zinc/13/72/76/854137276.db2.gz SZZVUNWONGIBMY-DOMZBBRYSA-N 2 2 292.383 0.664 20 0 CCADLP CC[N@H+]1CC[C@]2(C1)CN(C(=O)Cc1c[nH+]c[nH]1)C[C@@H](C)O2 ZINC001071216622 854137277 /nfs/dbraw/zinc/13/72/77/854137277.db2.gz SZZVUNWONGIBMY-DOMZBBRYSA-N 2 2 292.383 0.664 20 0 CCADLP COCC[N@@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001071989508 854332508 /nfs/dbraw/zinc/33/25/08/854332508.db2.gz PYJWWOZPYQQLST-CHWSQXEVSA-N 2 2 294.399 0.578 20 0 CCADLP COCC[N@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001071989508 854332517 /nfs/dbraw/zinc/33/25/17/854332517.db2.gz PYJWWOZPYQQLST-CHWSQXEVSA-N 2 2 294.399 0.578 20 0 CCADLP CN(CC[NH+]1CCCC1)C(=O)c1cnc(C[NH3+])s1 ZINC000720203737 854490315 /nfs/dbraw/zinc/49/03/15/854490315.db2.gz UCMCYEKCFYRWTM-UHFFFAOYSA-N 2 2 268.386 0.770 20 0 CCADLP COC[C@@H](C)[N@@H+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001073016170 854516270 /nfs/dbraw/zinc/51/62/70/854516270.db2.gz LPRZAXJRFQAQQT-GFCCVEGCSA-N 2 2 292.383 0.521 20 0 CCADLP COC[C@@H](C)[N@H+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001073016170 854516276 /nfs/dbraw/zinc/51/62/76/854516276.db2.gz LPRZAXJRFQAQQT-GFCCVEGCSA-N 2 2 292.383 0.521 20 0 CCADLP CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001073979254 854666567 /nfs/dbraw/zinc/66/65/67/854666567.db2.gz SPCCXWHPDQDQPN-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001073979254 854666568 /nfs/dbraw/zinc/66/65/68/854666568.db2.gz SPCCXWHPDQDQPN-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001073979254 854666570 /nfs/dbraw/zinc/66/65/70/854666570.db2.gz SPCCXWHPDQDQPN-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001073979254 854666571 /nfs/dbraw/zinc/66/65/71/854666571.db2.gz SPCCXWHPDQDQPN-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CC[N@@H+]1CCO[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001074384914 854723559 /nfs/dbraw/zinc/72/35/59/854723559.db2.gz OSQWRJVOXYVETC-KBPBESRZSA-N 2 2 293.411 0.404 20 0 CCADLP CC[N@H+]1CCO[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]21 ZINC001074384914 854723571 /nfs/dbraw/zinc/72/35/71/854723571.db2.gz OSQWRJVOXYVETC-KBPBESRZSA-N 2 2 293.411 0.404 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CCF)CCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001074719661 854769980 /nfs/dbraw/zinc/76/99/80/854769980.db2.gz YSAWKFBRGOKFGQ-OBJOEFQTSA-N 2 2 294.374 0.994 20 0 CCADLP COCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1 ZINC001099183697 854920254 /nfs/dbraw/zinc/92/02/54/854920254.db2.gz PPHMERWEMGPRCL-ZFWWWQNUSA-N 2 2 292.383 0.500 20 0 CCADLP COCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1 ZINC001099183697 854920256 /nfs/dbraw/zinc/92/02/56/854920256.db2.gz PPHMERWEMGPRCL-ZFWWWQNUSA-N 2 2 292.383 0.500 20 0 CCADLP CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C(F)(F)F ZINC001099325524 854928356 /nfs/dbraw/zinc/92/83/56/854928356.db2.gz QGJDXKIBXPTALB-RKDXNWHRSA-N 2 2 290.289 0.951 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001099871905 855014906 /nfs/dbraw/zinc/01/49/06/855014906.db2.gz LYXMWLINXJOGTH-OLZOCXBDSA-N 2 2 280.372 0.304 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001099871905 855014907 /nfs/dbraw/zinc/01/49/07/855014907.db2.gz LYXMWLINXJOGTH-OLZOCXBDSA-N 2 2 280.372 0.304 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001099871905 855014908 /nfs/dbraw/zinc/01/49/08/855014908.db2.gz LYXMWLINXJOGTH-OLZOCXBDSA-N 2 2 280.372 0.304 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001099871905 855014910 /nfs/dbraw/zinc/01/49/10/855014910.db2.gz LYXMWLINXJOGTH-OLZOCXBDSA-N 2 2 280.372 0.304 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099940042 855039210 /nfs/dbraw/zinc/03/92/10/855039210.db2.gz PMTAMFPUFZMESH-OLZOCXBDSA-N 2 2 280.372 0.235 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099940042 855039215 /nfs/dbraw/zinc/03/92/15/855039215.db2.gz PMTAMFPUFZMESH-OLZOCXBDSA-N 2 2 280.372 0.235 20 0 CCADLP CCCCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001100048488 855084432 /nfs/dbraw/zinc/08/44/32/855084432.db2.gz MPPPDZHGNCJBJU-CHWSQXEVSA-N 2 2 294.399 0.694 20 0 CCADLP CCCCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001100048488 855084443 /nfs/dbraw/zinc/08/44/43/855084443.db2.gz MPPPDZHGNCJBJU-CHWSQXEVSA-N 2 2 294.399 0.694 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@H](O)C1 ZINC001100138657 855105831 /nfs/dbraw/zinc/10/58/31/855105831.db2.gz JUTPRBFZAIVSFZ-QWHCGFSZSA-N 2 2 280.372 0.235 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@H](O)C1 ZINC001100138657 855105832 /nfs/dbraw/zinc/10/58/32/855105832.db2.gz JUTPRBFZAIVSFZ-QWHCGFSZSA-N 2 2 280.372 0.235 20 0 CCADLP Cc1nc(N(C)CCNC(=O)C[N@@H+]2CCC[C@@H]2C)cc[nH+]1 ZINC001100342137 855151882 /nfs/dbraw/zinc/15/18/82/855151882.db2.gz NSRMQLVBKSIMSU-LBPRGKRZSA-N 2 2 291.399 0.822 20 0 CCADLP COCCCC[NH2+]C1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001100789701 855226297 /nfs/dbraw/zinc/22/62/97/855226297.db2.gz INXRLZCYEKRPOM-UHFFFAOYSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@@H](CC(=O)N1CCOCC1)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC001256319936 855240107 /nfs/dbraw/zinc/24/01/07/855240107.db2.gz FJPKCXHCAOVADY-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@@H](CC(=O)N1CCOCC1)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC001256319936 855240113 /nfs/dbraw/zinc/24/01/13/855240113.db2.gz FJPKCXHCAOVADY-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP CC(C)[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001101069069 855259755 /nfs/dbraw/zinc/25/97/55/855259755.db2.gz GJMLKUSVEWNFQF-UHFFFAOYSA-N 2 2 250.346 0.776 20 0 CCADLP Cc1nc(NCCN(C)C(=O)COCC[NH+](C)C)cc[nH+]1 ZINC001101693894 855343932 /nfs/dbraw/zinc/34/39/32/855343932.db2.gz FTIZLFNXYJACIS-UHFFFAOYSA-N 2 2 295.387 0.234 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001102205203 855418287 /nfs/dbraw/zinc/41/82/87/855418287.db2.gz QFJOWJMJAVZGIG-MGPQQGTHSA-N 2 2 294.399 0.338 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001102205203 855418288 /nfs/dbraw/zinc/41/82/88/855418288.db2.gz QFJOWJMJAVZGIG-MGPQQGTHSA-N 2 2 294.399 0.338 20 0 CCADLP CCOCC[N@H+]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102408000 855433856 /nfs/dbraw/zinc/43/38/56/855433856.db2.gz VHWJASFVXCHJQO-CHWSQXEVSA-N 2 2 294.399 0.673 20 0 CCADLP CCOCC[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102408000 855433857 /nfs/dbraw/zinc/43/38/57/855433857.db2.gz VHWJASFVXCHJQO-CHWSQXEVSA-N 2 2 294.399 0.673 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001103778935 855529952 /nfs/dbraw/zinc/52/99/52/855529952.db2.gz DQEWTIGLFBJFGZ-MGPQQGTHSA-N 2 2 294.399 0.338 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001103778935 855529958 /nfs/dbraw/zinc/52/99/58/855529958.db2.gz DQEWTIGLFBJFGZ-MGPQQGTHSA-N 2 2 294.399 0.338 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@@H+](CCO)C2 ZINC001111826357 855596243 /nfs/dbraw/zinc/59/62/43/855596243.db2.gz FBWVIKZOKWLJBT-ZFWWWQNUSA-N 2 2 292.383 0.236 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@H+](CCO)C2 ZINC001111826357 855596247 /nfs/dbraw/zinc/59/62/47/855596247.db2.gz FBWVIKZOKWLJBT-ZFWWWQNUSA-N 2 2 292.383 0.236 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001116370927 855754648 /nfs/dbraw/zinc/75/46/48/855754648.db2.gz RLUDVKVHMFENTQ-NEPJUHHUSA-N 2 2 250.346 0.997 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@H](C)n2cc[nH+]c2)C[C@H]1C ZINC001116370927 855754653 /nfs/dbraw/zinc/75/46/53/855754653.db2.gz RLUDVKVHMFENTQ-NEPJUHHUSA-N 2 2 250.346 0.997 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@H](C)n2cc[nH+]c2)C[C@@H]1C ZINC001116370929 855754787 /nfs/dbraw/zinc/75/47/87/855754787.db2.gz RLUDVKVHMFENTQ-RYUDHWBXSA-N 2 2 250.346 0.997 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@H](C)n2cc[nH+]c2)C[C@@H]1C ZINC001116370929 855754789 /nfs/dbraw/zinc/75/47/89/855754789.db2.gz RLUDVKVHMFENTQ-RYUDHWBXSA-N 2 2 250.346 0.997 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC001117634062 856030744 /nfs/dbraw/zinc/03/07/44/856030744.db2.gz YAKGDXQFVHQJLB-DTWKUNHWSA-N 2 2 257.359 0.290 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1c[nH+]c(C)cc1C ZINC001118486630 856310723 /nfs/dbraw/zinc/31/07/23/856310723.db2.gz OOKLNRLPLSSJQC-LLVKDONJSA-N 2 2 278.356 0.039 20 0 CCADLP C[C@H](O)C[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001392938613 912275238 /nfs/dbraw/zinc/27/52/38/912275238.db2.gz KAHOZAGDSFAEMS-QWRGUYRKSA-N 2 2 280.372 0.208 20 0 CCADLP C[C@H](O)C[NH2+]C1(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001392938613 912275259 /nfs/dbraw/zinc/27/52/59/912275259.db2.gz KAHOZAGDSFAEMS-QWRGUYRKSA-N 2 2 280.372 0.208 20 0 CCADLP Cc1nocc1C[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001492819362 912534559 /nfs/dbraw/zinc/53/45/59/912534559.db2.gz RHUOLJLYLGTUKN-UHFFFAOYSA-N 2 2 292.383 0.627 20 0 CCADLP Cc1nocc1C[N@@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001492819362 912534574 /nfs/dbraw/zinc/53/45/74/912534574.db2.gz RHUOLJLYLGTUKN-UHFFFAOYSA-N 2 2 292.383 0.627 20 0 CCADLP CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001393521983 912624703 /nfs/dbraw/zinc/62/47/03/912624703.db2.gz PMRYYGVOZQTHTB-CHWSQXEVSA-N 2 2 271.405 0.554 20 0 CCADLP CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001393521983 912624714 /nfs/dbraw/zinc/62/47/14/912624714.db2.gz PMRYYGVOZQTHTB-CHWSQXEVSA-N 2 2 271.405 0.554 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001393526005 912624782 /nfs/dbraw/zinc/62/47/82/912624782.db2.gz VUDDCCNRFCSMOY-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[N@H+](CCO)CC1 ZINC001393601724 912672769 /nfs/dbraw/zinc/67/27/69/912672769.db2.gz HFTXJSLDQLPLAK-OLZOCXBDSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[N@@H+](CCO)CC1 ZINC001393601724 912672774 /nfs/dbraw/zinc/67/27/74/912672774.db2.gz HFTXJSLDQLPLAK-OLZOCXBDSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[N@H+](CCO)CC1 ZINC001393601724 912672783 /nfs/dbraw/zinc/67/27/83/912672783.db2.gz HFTXJSLDQLPLAK-OLZOCXBDSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[N@@H+](CCO)CC1 ZINC001393601724 912672793 /nfs/dbraw/zinc/67/27/93/912672793.db2.gz HFTXJSLDQLPLAK-OLZOCXBDSA-N 2 2 294.399 0.551 20 0 CCADLP CCC1([NH2+]CCO)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001393678918 912714894 /nfs/dbraw/zinc/71/48/94/912714894.db2.gz FECVXFAYCNSMAH-UHFFFAOYSA-N 2 2 280.372 0.236 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H](C[NH2+]CCO)C1CCCC1 ZINC001324504643 912878313 /nfs/dbraw/zinc/87/83/13/912878313.db2.gz CLVMAOANYLQTST-GFCCVEGCSA-N 2 2 280.372 0.209 20 0 CCADLP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1nnc(C)o1 ZINC001393983604 912895067 /nfs/dbraw/zinc/89/50/67/912895067.db2.gz DLYIWKTVDZHVQV-MNOVXSKESA-N 2 2 297.403 0.703 20 0 CCADLP CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1nnc(C)o1 ZINC001393983604 912895089 /nfs/dbraw/zinc/89/50/89/912895089.db2.gz DLYIWKTVDZHVQV-MNOVXSKESA-N 2 2 297.403 0.703 20 0 CCADLP Cc1cnc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)C2)o1 ZINC001399182428 915075018 /nfs/dbraw/zinc/07/50/18/915075018.db2.gz AGRTVWPSSXULST-LBPRGKRZSA-N 2 2 280.372 0.625 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C(C)C)o1 ZINC001394566702 913267377 /nfs/dbraw/zinc/26/73/77/913267377.db2.gz MOIWYTAVBNYACV-NSHDSACASA-N 2 2 297.403 0.655 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)C(C)C)o1 ZINC001394566702 913267394 /nfs/dbraw/zinc/26/73/94/913267394.db2.gz MOIWYTAVBNYACV-NSHDSACASA-N 2 2 297.403 0.655 20 0 CCADLP CC(C)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001394599819 913303303 /nfs/dbraw/zinc/30/33/03/913303303.db2.gz BTEARASQQDETQS-CHWSQXEVSA-N 2 2 294.399 0.168 20 0 CCADLP CC(C)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001394630970 913329753 /nfs/dbraw/zinc/32/97/53/913329753.db2.gz GXTBSLUUHSWMPW-JHJVBQTASA-N 2 2 294.399 0.246 20 0 CCADLP CC[N@H+](CCNC(=O)CCc1[nH+]ccn1C)C[C@H](C)O ZINC001480990527 892022762 /nfs/dbraw/zinc/02/27/62/892022762.db2.gz SPGJIBNWNADNTH-LBPRGKRZSA-N 2 2 282.388 0.172 20 0 CCADLP CC[N@@H+](CCNC(=O)CCc1[nH+]ccn1C)C[C@H](C)O ZINC001480990527 892022777 /nfs/dbraw/zinc/02/27/77/892022777.db2.gz SPGJIBNWNADNTH-LBPRGKRZSA-N 2 2 282.388 0.172 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CCC[N@H+]1CCF ZINC001481050679 892113189 /nfs/dbraw/zinc/11/31/89/892113189.db2.gz SCXKXMGVKPKAFY-GFCCVEGCSA-N 2 2 268.336 0.823 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CCC[N@@H+]1CCF ZINC001481050679 892113198 /nfs/dbraw/zinc/11/31/98/892113198.db2.gz SCXKXMGVKPKAFY-GFCCVEGCSA-N 2 2 268.336 0.823 20 0 CCADLP CO[C@@H](C)C[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001481191725 892287402 /nfs/dbraw/zinc/28/74/02/892287402.db2.gz JFWDVMWDAIDIAR-NSHDSACASA-N 2 2 280.372 0.568 20 0 CCADLP CO[C@@H](C)C[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001481191725 892287414 /nfs/dbraw/zinc/28/74/14/892287414.db2.gz JFWDVMWDAIDIAR-NSHDSACASA-N 2 2 280.372 0.568 20 0 CCADLP CCOCC[N@H+](C)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001267707693 892345655 /nfs/dbraw/zinc/34/56/55/892345655.db2.gz FJRIIZUZHMGNKN-AWEZNQCLSA-N 2 2 294.399 0.700 20 0 CCADLP CCOCC[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001267707693 892345672 /nfs/dbraw/zinc/34/56/72/892345672.db2.gz FJRIIZUZHMGNKN-AWEZNQCLSA-N 2 2 294.399 0.700 20 0 CCADLP CC[C@@H](C[NH+]1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1)OC ZINC001481652680 892969850 /nfs/dbraw/zinc/96/98/50/892969850.db2.gz SFJFFQANRJIBNW-LBPRGKRZSA-N 2 2 280.372 0.425 20 0 CCADLP CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001482110678 893402393 /nfs/dbraw/zinc/40/23/93/893402393.db2.gz SSYUZAIOFWWXLZ-GMTAPVOTSA-N 2 2 250.346 0.875 20 0 CCADLP CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001482110678 893402403 /nfs/dbraw/zinc/40/24/03/893402403.db2.gz SSYUZAIOFWWXLZ-GMTAPVOTSA-N 2 2 250.346 0.875 20 0 CCADLP CC[N@@H+]1CC[C@H]1C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC001362079249 893504711 /nfs/dbraw/zinc/50/47/11/893504711.db2.gz MXERTMSFBMLUTE-STQMWFEESA-N 2 2 297.399 0.176 20 0 CCADLP CC[N@H+]1CC[C@H]1C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC001362079249 893504728 /nfs/dbraw/zinc/50/47/28/893504728.db2.gz MXERTMSFBMLUTE-STQMWFEESA-N 2 2 297.399 0.176 20 0 CCADLP CC[NH+]1CCC(C[NH+]2CC(O)(c3ncnn3C)C2)CC1 ZINC001363672367 893782952 /nfs/dbraw/zinc/78/29/52/893782952.db2.gz HSRMADCEUNFLCM-UHFFFAOYSA-N 2 2 279.388 0.050 20 0 CCADLP C[C@@H]1C[N@H+](CCO)CCN1Cc1ncc(C[NH+](C)C)s1 ZINC001363912259 893853251 /nfs/dbraw/zinc/85/32/51/893853251.db2.gz XOUXRUZAQXHARG-GFCCVEGCSA-N 2 2 298.456 0.703 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)CCN1Cc1ncc(C[NH+](C)C)s1 ZINC001363912259 893853272 /nfs/dbraw/zinc/85/32/72/893853272.db2.gz XOUXRUZAQXHARG-GFCCVEGCSA-N 2 2 298.456 0.703 20 0 CCADLP CCCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001482743597 894561167 /nfs/dbraw/zinc/56/11/67/894561167.db2.gz FUKQQWQGKHHRDP-OLZOCXBDSA-N 2 2 294.399 0.312 20 0 CCADLP COCC[NH2+]CC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001482903771 894680844 /nfs/dbraw/zinc/68/08/44/894680844.db2.gz ANOGNGMAXYIMPC-NSHDSACASA-N 2 2 254.334 0.014 20 0 CCADLP C[C@H](C(=O)NC[C@@]1(C)CCC[NH2+]C1)n1cc[nH+]c1 ZINC001326357545 913909934 /nfs/dbraw/zinc/90/99/34/913909934.db2.gz YQBZXMFHGBJHJO-YPMHNXCESA-N 2 2 250.346 0.950 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC/C=C/C[NH2+]Cc1cccnc1 ZINC001483081814 894884498 /nfs/dbraw/zinc/88/44/98/894884498.db2.gz FOPVEYZRCYMHSI-NSCUHMNNSA-N 2 2 299.378 0.820 20 0 CCADLP C[C@H](C[NH2+]Cc1ccc(F)cn1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001483170866 895054515 /nfs/dbraw/zinc/05/45/15/895054515.db2.gz WGQCCPFHMOLRLT-SNVBAGLBSA-N 2 2 291.330 0.781 20 0 CCADLP C[C@H](C[NH2+]Cc1cscn1)NC(=O)Cn1cc[nH+]c1 ZINC001483199709 895086631 /nfs/dbraw/zinc/08/66/31/895086631.db2.gz SLNWCDMVRPNFSX-SNVBAGLBSA-N 2 2 279.369 0.634 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH2+]Cc1nccs1 ZINC001483248632 895379928 /nfs/dbraw/zinc/37/99/28/895379928.db2.gz JLXMYYFWAPUBLK-JTQLQIEISA-N 2 2 293.396 0.943 20 0 CCADLP C[C@H](C[N@H+](C)CCCF)NC(=O)Cc1c[nH+]cn1C ZINC001483406919 895545879 /nfs/dbraw/zinc/54/58/79/895545879.db2.gz JMWJASLPFBHDHT-LLVKDONJSA-N 2 2 270.352 0.759 20 0 CCADLP C[C@H](C[N@@H+](C)CCCF)NC(=O)Cc1c[nH+]cn1C ZINC001483406919 895545893 /nfs/dbraw/zinc/54/58/93/895545893.db2.gz JMWJASLPFBHDHT-LLVKDONJSA-N 2 2 270.352 0.759 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[N@H+]1CCC[C@H](C)O ZINC001483696466 895872188 /nfs/dbraw/zinc/87/21/88/895872188.db2.gz KEKHWAVIBQKFNF-WCQYABFASA-N 2 2 294.399 0.612 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[N@@H+]1CCC[C@H](C)O ZINC001483696466 895872203 /nfs/dbraw/zinc/87/22/03/895872203.db2.gz KEKHWAVIBQKFNF-WCQYABFASA-N 2 2 294.399 0.612 20 0 CCADLP C[C@@H]1COCCN1CC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC001365319313 895903410 /nfs/dbraw/zinc/90/34/10/895903410.db2.gz GKJXXLIXMALTBF-PMPSAXMXSA-N 2 2 281.444 0.981 20 0 CCADLP COCCCC[NH+]1CC(N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001483888352 896106246 /nfs/dbraw/zinc/10/62/46/896106246.db2.gz MTKXZABNTZSUJS-UHFFFAOYSA-N 2 2 294.399 0.830 20 0 CCADLP C[C@H](C[NH2+][C@H]1CCn2cc[nH+]c2C1)S(C)(=O)=O ZINC001326597282 914040455 /nfs/dbraw/zinc/04/04/55/914040455.db2.gz UHJNSYSYNULESH-ZJUUUORDSA-N 2 2 257.359 0.221 20 0 CCADLP CCC[NH+]1CC(O)(CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001484276406 896306076 /nfs/dbraw/zinc/30/60/76/896306076.db2.gz SFEPDRCFKSJWOH-LBPRGKRZSA-N 2 2 289.395 0.239 20 0 CCADLP CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001484486344 896442232 /nfs/dbraw/zinc/44/22/32/896442232.db2.gz MUBSUELWJVZIOG-CYBMUJFWSA-N 2 2 294.399 0.266 20 0 CCADLP C[N@H+](CC(=O)NC[C@H]1COCC[NH+]1CC1CC1)C1CCC1 ZINC001484595009 896491947 /nfs/dbraw/zinc/49/19/47/896491947.db2.gz DIOSLWOOTNKNEQ-HNNXBMFYSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@@H+](CC(=O)NC[C@H]1COCC[NH+]1CC1CC1)C1CCC1 ZINC001484595009 896491953 /nfs/dbraw/zinc/49/19/53/896491953.db2.gz DIOSLWOOTNKNEQ-HNNXBMFYSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+](CC(=O)NC[C@H]1COCC[N@H+]1CC1CC1)C1CCC1 ZINC001484595009 896491964 /nfs/dbraw/zinc/49/19/64/896491964.db2.gz DIOSLWOOTNKNEQ-HNNXBMFYSA-N 2 2 295.427 0.698 20 0 CCADLP CN(CCC[N@H+](C)Cc1nncn1C)C(=O)CC[NH+](C)C ZINC001484756859 896591856 /nfs/dbraw/zinc/59/18/56/896591856.db2.gz FQKCRBGWPJCDHY-UHFFFAOYSA-N 2 2 296.419 0.047 20 0 CCADLP CN(CCC[N@@H+](C)Cc1nncn1C)C(=O)CC[NH+](C)C ZINC001484756859 896591867 /nfs/dbraw/zinc/59/18/67/896591867.db2.gz FQKCRBGWPJCDHY-UHFFFAOYSA-N 2 2 296.419 0.047 20 0 CCADLP CC(C)OCC[N@H+](C)[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001485359807 896984810 /nfs/dbraw/zinc/98/48/10/896984810.db2.gz YNRCANOFKZNUIW-LBPRGKRZSA-N 2 2 282.388 0.814 20 0 CCADLP CC(C)OCC[N@@H+](C)[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001485359807 896984813 /nfs/dbraw/zinc/98/48/13/896984813.db2.gz YNRCANOFKZNUIW-LBPRGKRZSA-N 2 2 282.388 0.814 20 0 CCADLP C[C@@H](O)CCC[N@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001485394582 897017709 /nfs/dbraw/zinc/01/77/09/897017709.db2.gz HKDFXVYPYKIYIQ-CHWSQXEVSA-N 2 2 282.388 0.481 20 0 CCADLP C[C@@H](O)CCC[N@@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001485394582 897017716 /nfs/dbraw/zinc/01/77/16/897017716.db2.gz HKDFXVYPYKIYIQ-CHWSQXEVSA-N 2 2 282.388 0.481 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001326745363 914134386 /nfs/dbraw/zinc/13/43/86/914134386.db2.gz WYEYWYXALJKEDG-NWDGAFQWSA-N 2 2 264.373 0.998 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC001326745363 914134397 /nfs/dbraw/zinc/13/43/97/914134397.db2.gz WYEYWYXALJKEDG-NWDGAFQWSA-N 2 2 264.373 0.998 20 0 CCADLP C[NH+]1CCN(c2cc(Nc3ccc[nH+]c3N)ncn2)CC1 ZINC001212391700 897817775 /nfs/dbraw/zinc/81/77/75/897817775.db2.gz WISHXNRQYWTQMW-UHFFFAOYSA-N 2 2 285.355 0.949 20 0 CCADLP COC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]cn1C ZINC001032733440 898029112 /nfs/dbraw/zinc/02/91/12/898029112.db2.gz VZHRMNVAZSRHNF-XBFCOCLRSA-N 2 2 292.383 0.283 20 0 CCADLP COC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]cn1C ZINC001032733440 898029127 /nfs/dbraw/zinc/02/91/27/898029127.db2.gz VZHRMNVAZSRHNF-XBFCOCLRSA-N 2 2 292.383 0.283 20 0 CCADLP CO[C@@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]cn1C ZINC001032733185 898031424 /nfs/dbraw/zinc/03/14/24/898031424.db2.gz NULXNOSMWUKQLD-UBHSHLNASA-N 2 2 292.383 0.283 20 0 CCADLP CO[C@@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]cn1C ZINC001032733185 898031435 /nfs/dbraw/zinc/03/14/35/898031435.db2.gz NULXNOSMWUKQLD-UBHSHLNASA-N 2 2 292.383 0.283 20 0 CCADLP CN(C[C@H](O)C[NH2+]CCC(C)(C)C)C(=O)Cc1c[nH+]c[nH]1 ZINC001486301648 898768641 /nfs/dbraw/zinc/76/86/41/898768641.db2.gz PTTMXLSQXOJLJY-CYBMUJFWSA-N 2 2 296.415 0.797 20 0 CCADLP CC(C)N(CC[N@H+](C)CC(N)=O)C(=O)[C@@H]1CCCC[NH+]1C ZINC001486374063 898839893 /nfs/dbraw/zinc/83/98/93/898839893.db2.gz KYLUMBBKAXTYHL-ZDUSSCGKSA-N 2 2 298.431 0.125 20 0 CCADLP CC(C)N(CC[N@@H+](C)CC(N)=O)C(=O)[C@@H]1CCCC[NH+]1C ZINC001486374063 898839910 /nfs/dbraw/zinc/83/99/10/898839910.db2.gz KYLUMBBKAXTYHL-ZDUSSCGKSA-N 2 2 298.431 0.125 20 0 CCADLP CC(C)N(CC[NH+](C)CC(N)=O)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001486374063 898839921 /nfs/dbraw/zinc/83/99/21/898839921.db2.gz KYLUMBBKAXTYHL-ZDUSSCGKSA-N 2 2 298.431 0.125 20 0 CCADLP CC(C)N(CC[NH+](C)CC(N)=O)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001486374063 898839937 /nfs/dbraw/zinc/83/99/37/898839937.db2.gz KYLUMBBKAXTYHL-ZDUSSCGKSA-N 2 2 298.431 0.125 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001410030409 899193098 /nfs/dbraw/zinc/19/30/98/899193098.db2.gz XMAXLVIXNWWOJS-DGCLKSJQSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001410030409 899193084 /nfs/dbraw/zinc/19/30/84/899193084.db2.gz XMAXLVIXNWWOJS-DGCLKSJQSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001410030409 899193091 /nfs/dbraw/zinc/19/30/91/899193091.db2.gz XMAXLVIXNWWOJS-DGCLKSJQSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001410030409 899193106 /nfs/dbraw/zinc/19/31/06/899193106.db2.gz XMAXLVIXNWWOJS-DGCLKSJQSA-N 2 2 294.399 0.550 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001397679992 914325996 /nfs/dbraw/zinc/32/59/96/914325996.db2.gz MFEMUFDNHYTXJX-AVGNSLFASA-N 2 2 280.372 0.402 20 0 CCADLP CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001410189425 899266644 /nfs/dbraw/zinc/26/66/44/899266644.db2.gz KAYPCKAYGKPYGY-OLZOCXBDSA-N 2 2 280.372 0.499 20 0 CCADLP C[C@H](F)CC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001415114519 899684956 /nfs/dbraw/zinc/68/49/56/899684956.db2.gz SFQVROXSJLDXIS-QWHCGFSZSA-N 2 2 287.379 0.209 20 0 CCADLP C[C@H](F)CC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001415114519 899684963 /nfs/dbraw/zinc/68/49/63/899684963.db2.gz SFQVROXSJLDXIS-QWHCGFSZSA-N 2 2 287.379 0.209 20 0 CCADLP CCC[N@H+]1C[C@H]2CN(CCn3cc[nH+]c3)C[C@@H](C1)O2 ZINC001275107515 900993982 /nfs/dbraw/zinc/99/39/82/900993982.db2.gz ADYNSQPLGRISHR-OKILXGFUSA-N 2 2 264.373 0.678 20 0 CCADLP CCC[N@@H+]1C[C@H]2CN(CCn3cc[nH+]c3)C[C@@H](C1)O2 ZINC001275107515 900993995 /nfs/dbraw/zinc/99/39/95/900993995.db2.gz ADYNSQPLGRISHR-OKILXGFUSA-N 2 2 264.373 0.678 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001412293794 901624778 /nfs/dbraw/zinc/62/47/78/901624778.db2.gz SYVORZFQUUQTIR-YVECIDJPSA-N 2 2 276.384 0.980 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001412639749 901896062 /nfs/dbraw/zinc/89/60/62/901896062.db2.gz OMIVCIWBHANJDI-UONOGXRCSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001412639749 901896074 /nfs/dbraw/zinc/89/60/74/901896074.db2.gz OMIVCIWBHANJDI-UONOGXRCSA-N 2 2 283.416 0.555 20 0 CCADLP CC[NH+]1CCC(C[N@@H+]2CCn3c(CO)nnc3C2)CC1 ZINC001413178708 902760204 /nfs/dbraw/zinc/76/02/04/902760204.db2.gz NPAPAGAKBBZPKZ-UHFFFAOYSA-N 2 2 279.388 0.318 20 0 CCADLP CC[NH+]1CCC(C[N@H+]2CCn3c(CO)nnc3C2)CC1 ZINC001413178708 902760221 /nfs/dbraw/zinc/76/02/21/902760221.db2.gz NPAPAGAKBBZPKZ-UHFFFAOYSA-N 2 2 279.388 0.318 20 0 CCADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H](CO)Cc1c[nH]c[nH+]1 ZINC001413424992 902942272 /nfs/dbraw/zinc/94/22/72/902942272.db2.gz GTIFTVPDFILMOE-JQWIXIFHSA-N 2 2 282.388 0.596 20 0 CCADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001413424992 902942279 /nfs/dbraw/zinc/94/22/79/902942279.db2.gz GTIFTVPDFILMOE-JQWIXIFHSA-N 2 2 282.388 0.596 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]CC2CC2)C1 ZINC001490917287 903233154 /nfs/dbraw/zinc/23/31/54/903233154.db2.gz YUJPACVXPDAWSI-JOCQHMNTSA-N 2 2 262.357 0.920 20 0 CCADLP C[C@@H](O)C[NH2+][C@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001491463628 903609310 /nfs/dbraw/zinc/60/93/10/903609310.db2.gz OZWHDZOWGVUTJR-VXGBXAGGSA-N 2 2 294.399 0.237 20 0 CCADLP CCC[NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001276680754 903821840 /nfs/dbraw/zinc/82/18/40/903821840.db2.gz JATTWMSJLORZAN-LLVKDONJSA-N 2 2 250.346 0.847 20 0 CCADLP COCCC[NH+]1CC([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001282742508 904536415 /nfs/dbraw/zinc/53/64/15/904536415.db2.gz UIEXERGWITXXTL-LLVKDONJSA-N 2 2 280.372 0.425 20 0 CCADLP C[C@@H](O)CCC[NH2+]C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001283110546 904697471 /nfs/dbraw/zinc/69/74/71/904697471.db2.gz FPTFRNUTRKTEDI-MGPQQGTHSA-N 2 2 294.399 0.529 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001377441537 904888492 /nfs/dbraw/zinc/88/84/92/904888492.db2.gz VWMZXGFKSMLCJL-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001377441537 904888508 /nfs/dbraw/zinc/88/85/08/904888508.db2.gz VWMZXGFKSMLCJL-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001377441537 904888523 /nfs/dbraw/zinc/88/85/23/904888523.db2.gz VWMZXGFKSMLCJL-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001377441537 904888543 /nfs/dbraw/zinc/88/85/43/904888543.db2.gz VWMZXGFKSMLCJL-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP CC(C)=CC[NH2+][C@H](CO)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001283814424 905031305 /nfs/dbraw/zinc/03/13/05/905031305.db2.gz WDMNSHORCBHGBL-KBPBESRZSA-N 2 2 294.399 0.867 20 0 CCADLP CCOCC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001284218854 905201070 /nfs/dbraw/zinc/20/10/70/905201070.db2.gz GWEVNGSKHMOTCL-QWHCGFSZSA-N 2 2 294.399 0.863 20 0 CCADLP C[NH+](C)CC1(C(=O)NC2C[NH+](CCCO)C2)CCCCC1 ZINC001377906504 905232565 /nfs/dbraw/zinc/23/25/65/905232565.db2.gz ZDSKKJKMDRNFQE-UHFFFAOYSA-N 2 2 297.443 0.681 20 0 CCADLP CC[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CCF ZINC001378267762 905552224 /nfs/dbraw/zinc/55/22/24/905552224.db2.gz LTBIVBXVALIQBG-NEPJUHHUSA-N 2 2 282.363 0.899 20 0 CCADLP CC(C)[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]C[C@@H](C)O ZINC001378969769 905904782 /nfs/dbraw/zinc/90/47/82/905904782.db2.gz HCNYQZUAUVTPPQ-CHWSQXEVSA-N 2 2 282.388 0.384 20 0 CCADLP CN(CC[N@H+](C)Cc1cncn1C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001379135306 906014543 /nfs/dbraw/zinc/01/45/43/906014543.db2.gz YKHMBMHZYZMMKD-ZDUSSCGKSA-N 2 2 293.415 0.262 20 0 CCADLP CN(CC[N@@H+](C)Cc1cncn1C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001379135306 906014559 /nfs/dbraw/zinc/01/45/59/906014559.db2.gz YKHMBMHZYZMMKD-ZDUSSCGKSA-N 2 2 293.415 0.262 20 0 CCADLP CN(CC[NH+](C)Cc1cncn1C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001379135306 906014569 /nfs/dbraw/zinc/01/45/69/906014569.db2.gz YKHMBMHZYZMMKD-ZDUSSCGKSA-N 2 2 293.415 0.262 20 0 CCADLP CN(CC[NH+](C)Cc1cncn1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379135306 906014580 /nfs/dbraw/zinc/01/45/80/906014580.db2.gz YKHMBMHZYZMMKD-ZDUSSCGKSA-N 2 2 293.415 0.262 20 0 CCADLP C[C@H](CN(C)C(=O)CCc1[nH+]ccn1C)[NH2+]C[C@H](C)O ZINC001379181840 906045223 /nfs/dbraw/zinc/04/52/23/906045223.db2.gz NXYSVOUQQFSQBX-NEPJUHHUSA-N 2 2 282.388 0.170 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC1CC1 ZINC001379246634 906086613 /nfs/dbraw/zinc/08/66/13/906086613.db2.gz KMRYNVUFNTXXAO-YNEHKIRRSA-N 2 2 292.383 0.000 20 0 CCADLP CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001379478522 906276600 /nfs/dbraw/zinc/27/66/00/906276600.db2.gz OOYRRGIQMRBOLQ-QJPTWQEYSA-N 2 2 280.372 0.000 20 0 CCADLP C[C@H](C[N@H+](C)C[C@@H]1CCOC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001379757742 906467479 /nfs/dbraw/zinc/46/74/79/906467479.db2.gz WFOLLHWLYNQMRB-NEPJUHHUSA-N 2 2 280.372 0.425 20 0 CCADLP C[C@H](C[N@@H+](C)C[C@@H]1CCOC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001379757742 906467485 /nfs/dbraw/zinc/46/74/85/906467485.db2.gz WFOLLHWLYNQMRB-NEPJUHHUSA-N 2 2 280.372 0.425 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NC[C@@H]1CC[N@@H+]1CC1CC1 ZINC001379987418 906572515 /nfs/dbraw/zinc/57/25/15/906572515.db2.gz SIJOHKCLKFNRIH-ZDUSSCGKSA-N 2 2 276.384 0.953 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NC[C@@H]1CC[N@H+]1CC1CC1 ZINC001379987418 906572525 /nfs/dbraw/zinc/57/25/25/906572525.db2.gz SIJOHKCLKFNRIH-ZDUSSCGKSA-N 2 2 276.384 0.953 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001380226887 906685352 /nfs/dbraw/zinc/68/53/52/906685352.db2.gz AGKWOKXLTUQKGK-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001380226887 906685361 /nfs/dbraw/zinc/68/53/61/906685361.db2.gz AGKWOKXLTUQKGK-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@]1(NC(=O)CC[NH+]2CCOCC2)CC[N@H+](CCF)C1 ZINC001380381163 906756543 /nfs/dbraw/zinc/75/65/43/906756543.db2.gz NGBANICUJYLAEG-AWEZNQCLSA-N 2 2 287.379 0.259 20 0 CCADLP C[C@]1(NC(=O)CC[NH+]2CCOCC2)CC[N@@H+](CCF)C1 ZINC001380381163 906756561 /nfs/dbraw/zinc/75/65/61/906756561.db2.gz NGBANICUJYLAEG-AWEZNQCLSA-N 2 2 287.379 0.259 20 0 CCADLP C[C@H]([NH2+]CCO)[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001380663492 906886719 /nfs/dbraw/zinc/88/67/19/906886719.db2.gz DGHHAFUMDRSSDR-QWHCGFSZSA-N 2 2 294.399 0.172 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CC(=O)NC ZINC001381645864 907356586 /nfs/dbraw/zinc/35/65/86/907356586.db2.gz RUZJLMZDTPWHOR-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CC(=O)NC ZINC001381645864 907356601 /nfs/dbraw/zinc/35/66/01/907356601.db2.gz RUZJLMZDTPWHOR-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)CC(=O)NC ZINC001381645864 907356615 /nfs/dbraw/zinc/35/66/15/907356615.db2.gz RUZJLMZDTPWHOR-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC ZINC001381645864 907356631 /nfs/dbraw/zinc/35/66/31/907356631.db2.gz RUZJLMZDTPWHOR-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP CC(C)C[NH2+][C@H](C)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001381935667 907460844 /nfs/dbraw/zinc/46/08/44/907460844.db2.gz DWVPDTUASULMSN-KGLIPLIRSA-N 2 2 294.399 0.745 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1ccccn1 ZINC001491639894 907477311 /nfs/dbraw/zinc/47/73/11/907477311.db2.gz RXJAFSNBQAHFOR-GFCCVEGCSA-N 2 2 287.367 0.652 20 0 CCADLP CC[C@@H](C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1)OC ZINC001381971659 907479711 /nfs/dbraw/zinc/47/97/11/907479711.db2.gz XLLHAQUESXWROF-OBJOEFQTSA-N 2 2 294.399 0.862 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001491734714 907542363 /nfs/dbraw/zinc/54/23/63/907542363.db2.gz JGSFLTMKLPVWNY-OLZOCXBDSA-N 2 2 292.383 0.282 20 0 CCADLP CCCCOCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001491775092 907558839 /nfs/dbraw/zinc/55/88/39/907558839.db2.gz IWAHGFVINBAYBI-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP COCCCC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001491860833 907635338 /nfs/dbraw/zinc/63/53/38/907635338.db2.gz HLMGGMOPTYABST-CQSZACIVSA-N 2 2 294.399 0.748 20 0 CCADLP C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC[NH+](CCCO)CC1 ZINC001382558082 907786206 /nfs/dbraw/zinc/78/62/06/907786206.db2.gz DOLFCXMTANXZOP-LBPRGKRZSA-N 2 2 294.399 0.551 20 0 CCADLP C[N@H+](CCNC(=O)CCn1cc[nH+]c1)Cc1ccccn1 ZINC001492363494 907874310 /nfs/dbraw/zinc/87/43/10/907874310.db2.gz MUFRLHPEYNFMOF-UHFFFAOYSA-N 2 2 287.367 0.916 20 0 CCADLP C[N@@H+](CCNC(=O)CCn1cc[nH+]c1)Cc1ccccn1 ZINC001492363494 907874329 /nfs/dbraw/zinc/87/43/29/907874329.db2.gz MUFRLHPEYNFMOF-UHFFFAOYSA-N 2 2 287.367 0.916 20 0 CCADLP CCc1[nH]c(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)c[nH+]1 ZINC001303974242 908130689 /nfs/dbraw/zinc/13/06/89/908130689.db2.gz DKQGSOVTBBKLKX-SNVBAGLBSA-N 2 2 250.346 0.930 20 0 CCADLP CCc1[nH]c(CNC(=O)C[N@H+]2CC[C@@H](C)C2)c[nH+]1 ZINC001303974242 908130698 /nfs/dbraw/zinc/13/06/98/908130698.db2.gz DKQGSOVTBBKLKX-SNVBAGLBSA-N 2 2 250.346 0.930 20 0 CCADLP CCc1[nH]cc(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)[nH+]1 ZINC001303974242 908130703 /nfs/dbraw/zinc/13/07/03/908130703.db2.gz DKQGSOVTBBKLKX-SNVBAGLBSA-N 2 2 250.346 0.930 20 0 CCADLP CCc1[nH]cc(CNC(=O)C[N@H+]2CC[C@@H](C)C2)[nH+]1 ZINC001303974242 908130712 /nfs/dbraw/zinc/13/07/12/908130712.db2.gz DKQGSOVTBBKLKX-SNVBAGLBSA-N 2 2 250.346 0.930 20 0 CCADLP C[C@H](O)C[N@H+](C)CCNC(=O)CCCn1cc[nH+]c1 ZINC001317472980 908346209 /nfs/dbraw/zinc/34/62/09/908346209.db2.gz NSLKRNOJOVIKDT-LBPRGKRZSA-N 2 2 268.361 0.092 20 0 CCADLP C[C@H](O)C[N@@H+](C)CCNC(=O)CCCn1cc[nH+]c1 ZINC001317472980 908346231 /nfs/dbraw/zinc/34/62/31/908346231.db2.gz NSLKRNOJOVIKDT-LBPRGKRZSA-N 2 2 268.361 0.092 20 0 CCADLP CCS(=O)(=O)NCC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001308255113 908401416 /nfs/dbraw/zinc/40/14/16/908401416.db2.gz GIRSTBIMTBHQPQ-UHFFFAOYSA-N 2 2 286.401 0.177 20 0 CCADLP Cn1cc([C@H](CO)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC001308360803 908408958 /nfs/dbraw/zinc/40/89/58/908408958.db2.gz PNHGRFXSJBZCBV-MJBXVCDLSA-N 2 2 264.373 0.670 20 0 CCADLP Cn1cc([C@H](CO)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC001308360803 908408963 /nfs/dbraw/zinc/40/89/63/908408963.db2.gz PNHGRFXSJBZCBV-MJBXVCDLSA-N 2 2 264.373 0.670 20 0 CCADLP [NH3+][C@H](CC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)C(F)F ZINC001340905207 908558114 /nfs/dbraw/zinc/55/81/14/908558114.db2.gz FMIDVCLRGYWXNX-SGIHWFKDSA-N 2 2 261.316 0.555 20 0 CCADLP COCC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001317120825 908992740 /nfs/dbraw/zinc/99/27/40/908992740.db2.gz IENVTOLUYGKAHV-UPJWGTAASA-N 2 2 280.372 0.717 20 0 CCADLP COCC[NH2+][C@@H](C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001317680735 909468096 /nfs/dbraw/zinc/46/80/96/909468096.db2.gz INCRYTPOFZDDLI-ZDUSSCGKSA-N 2 2 294.399 0.746 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001388649313 909531375 /nfs/dbraw/zinc/53/13/75/909531375.db2.gz GSIDVTTYDPKOKH-YPMHNXCESA-N 2 2 280.372 0.520 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@H]1CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001388649313 909531387 /nfs/dbraw/zinc/53/13/87/909531387.db2.gz GSIDVTTYDPKOKH-YPMHNXCESA-N 2 2 280.372 0.520 20 0 CCADLP C[C@@H](C(=O)NC[C@H]1CCC[N@H+](C)C1)n1cc[nH+]c1 ZINC001318352628 909724266 /nfs/dbraw/zinc/72/42/66/909724266.db2.gz GNGGYDMBABOBIB-NWDGAFQWSA-N 2 2 250.346 0.902 20 0 CCADLP C[C@@H](C(=O)NC[C@H]1CCC[N@@H+](C)C1)n1cc[nH+]c1 ZINC001318352628 909724272 /nfs/dbraw/zinc/72/42/72/909724272.db2.gz GNGGYDMBABOBIB-NWDGAFQWSA-N 2 2 250.346 0.902 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC1(C[NH2+]CCF)CCCC1 ZINC001318664679 909853635 /nfs/dbraw/zinc/85/36/35/909853635.db2.gz NERIIYLDPQIPKX-UHFFFAOYSA-N 2 2 282.363 0.951 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCC[NH+]1CCC(O)CC1 ZINC001318712863 909866841 /nfs/dbraw/zinc/86/68/41/909866841.db2.gz CRNBIKFSQKERFU-UHFFFAOYSA-N 2 2 280.372 0.236 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(CC[NH2+]CCO)CC1 ZINC001318928176 909924108 /nfs/dbraw/zinc/92/41/08/909924108.db2.gz DRVZKTBUYHYKRX-UHFFFAOYSA-N 2 2 294.399 0.471 20 0 CCADLP C[C@@H](C(=O)N(C)[C@H]1CCC[N@H+](C)C1)n1cc[nH+]c1 ZINC001319065980 909974279 /nfs/dbraw/zinc/97/42/79/909974279.db2.gz RTAALDINNZKZSR-RYUDHWBXSA-N 2 2 250.346 0.997 20 0 CCADLP C[C@H](CC(=O)N[C@@H]1C[C@H]([NH2+]C[C@H](C)O)C1)n1cc[nH+]c1 ZINC001390007357 910183884 /nfs/dbraw/zinc/18/38/84/910183884.db2.gz OPAJBURTCTZBOZ-XQHKEYJVSA-N 2 2 280.372 0.452 20 0 CCADLP C[C@H]([NH2+]CCCO)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001319820347 910309123 /nfs/dbraw/zinc/30/91/23/910309123.db2.gz NHUNXTDIPAOCNA-STQMWFEESA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](C(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C)n1cc[nH+]c1 ZINC001319946673 910366704 /nfs/dbraw/zinc/36/67/04/910366704.db2.gz CLMUTAZFSPPCQX-UTUOFQBUSA-N 2 2 250.346 0.995 20 0 CCADLP C[C@@H](C(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C)n1cc[nH+]c1 ZINC001319946673 910366723 /nfs/dbraw/zinc/36/67/23/910366723.db2.gz CLMUTAZFSPPCQX-UTUOFQBUSA-N 2 2 250.346 0.995 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+]Cc1cnc(C)o1 ZINC001390428136 910410769 /nfs/dbraw/zinc/41/07/69/910410769.db2.gz AHKBAKVHCYUBRV-SNVBAGLBSA-N 2 2 291.355 0.782 20 0 CCADLP C[C@@H](C(=O)N1CC[C@@H](C[NH+](C)C)C1)n1cc[nH+]c1 ZINC001320070061 910446426 /nfs/dbraw/zinc/44/64/26/910446426.db2.gz DOEHITXVDCNXGN-RYUDHWBXSA-N 2 2 250.346 0.854 20 0 CCADLP C[C@@H](CNC(=O)CCCn1cc[nH+]c1)[NH2+]C[C@@H]1CCOC1 ZINC001390534791 910495170 /nfs/dbraw/zinc/49/51/70/910495170.db2.gz XJLQUAWRRXISIM-KBPBESRZSA-N 2 2 294.399 0.794 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)C[NH2+]C/C=C\Cl ZINC001320301796 910591546 /nfs/dbraw/zinc/59/15/46/910591546.db2.gz VWZLQYORYGBMOW-ZMWSMAPVSA-N 2 2 286.763 0.080 20 0 CCADLP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1nncs1 ZINC001390729420 910619459 /nfs/dbraw/zinc/61/94/59/910619459.db2.gz DAANFTOIEMGXMS-SNVBAGLBSA-N 2 2 294.384 0.419 20 0 CCADLP CC[C@@H](C(=O)N(C)CC[NH2+][C@H](C)c1nc(C)no1)[NH+](C)C ZINC001391227245 910991528 /nfs/dbraw/zinc/99/15/28/910991528.db2.gz LCDGIEYAKBIXCJ-PWSUYJOCSA-N 2 2 297.403 0.827 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[C@@H]1CC[N@@H+](CCCO)C1 ZINC001391328249 911040851 /nfs/dbraw/zinc/04/08/51/911040851.db2.gz KCVYVZMDPAUFHC-GFCCVEGCSA-N 2 2 280.372 0.163 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[C@@H]1CC[N@H+](CCCO)C1 ZINC001391328249 911040872 /nfs/dbraw/zinc/04/08/72/911040872.db2.gz KCVYVZMDPAUFHC-GFCCVEGCSA-N 2 2 280.372 0.163 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC1C[NH+](C[C@H]2CCCOC2)C1 ZINC001391438059 911128491 /nfs/dbraw/zinc/12/84/91/911128491.db2.gz XFTCRXGCKXNNJJ-CYBMUJFWSA-N 2 2 292.383 0.500 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC1C[NH+](CC2CC2)C1 ZINC001391458027 911146106 /nfs/dbraw/zinc/14/61/06/911146106.db2.gz BBQXKJPJJUYUBA-GFCCVEGCSA-N 2 2 281.400 0.165 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001391586104 911246098 /nfs/dbraw/zinc/24/60/98/911246098.db2.gz HROPHOPDDCEDSQ-QWHCGFSZSA-N 2 2 280.372 0.499 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001391586104 911246111 /nfs/dbraw/zinc/24/61/11/911246111.db2.gz HROPHOPDDCEDSQ-QWHCGFSZSA-N 2 2 280.372 0.499 20 0 CCADLP CCN(C(=O)CCc1c[nH]c[nH+]1)[C@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001391638319 911284178 /nfs/dbraw/zinc/28/41/78/911284178.db2.gz CUYOQKJBNSJNPN-JSGCOSHPSA-N 2 2 294.399 0.646 20 0 CCADLP CCN(C(=O)CCc1c[nH]c[nH+]1)[C@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001391638319 911284187 /nfs/dbraw/zinc/28/41/87/911284187.db2.gz CUYOQKJBNSJNPN-JSGCOSHPSA-N 2 2 294.399 0.646 20 0 CCADLP CCN(C(=O)CCc1c[nH+]c[nH]1)[C@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001391638319 911284199 /nfs/dbraw/zinc/28/41/99/911284199.db2.gz CUYOQKJBNSJNPN-JSGCOSHPSA-N 2 2 294.399 0.646 20 0 CCADLP CCN(C(=O)CCc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001391638319 911284209 /nfs/dbraw/zinc/28/42/09/911284209.db2.gz CUYOQKJBNSJNPN-JSGCOSHPSA-N 2 2 294.399 0.646 20 0 CCADLP CCN(C(=O)CCc1c[nH]c[nH+]1)[C@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001391638326 911285713 /nfs/dbraw/zinc/28/57/13/911285713.db2.gz CUYOQKJBNSJNPN-OCCSQVGLSA-N 2 2 294.399 0.646 20 0 CCADLP CCN(C(=O)CCc1c[nH]c[nH+]1)[C@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001391638326 911285726 /nfs/dbraw/zinc/28/57/26/911285726.db2.gz CUYOQKJBNSJNPN-OCCSQVGLSA-N 2 2 294.399 0.646 20 0 CCADLP CCN(C(=O)CCc1c[nH+]c[nH]1)[C@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001391638326 911285736 /nfs/dbraw/zinc/28/57/36/911285736.db2.gz CUYOQKJBNSJNPN-OCCSQVGLSA-N 2 2 294.399 0.646 20 0 CCADLP CCN(C(=O)CCc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001391638326 911285741 /nfs/dbraw/zinc/28/57/41/911285741.db2.gz CUYOQKJBNSJNPN-OCCSQVGLSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@H](C(=O)N(C)[C@H]1C[NH+]2CCC1CC2)n1cc[nH+]c1 ZINC001321718193 911459225 /nfs/dbraw/zinc/45/92/25/911459225.db2.gz KMIFCVQAEVODTN-YPMHNXCESA-N 2 2 262.357 0.997 20 0 CCADLP C[C@H](C[NH2+]C[C@@H]1CCCOC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001392104364 911576336 /nfs/dbraw/zinc/57/63/36/911576336.db2.gz BENIGCXLFRIEKP-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H]([NH2+]CCO)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001392182071 911619440 /nfs/dbraw/zinc/61/94/40/911619440.db2.gz AEJPAEJIUKLTGA-NWDGAFQWSA-N 2 2 280.372 0.161 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[NH2+]CC[C@H]1CCCO1 ZINC001322059450 911637122 /nfs/dbraw/zinc/63/71/22/911637122.db2.gz HIZSRMVZXPOCHX-WCQYABFASA-N 2 2 294.399 0.924 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]([NH2+]CCF)C(C)C ZINC001392258609 911669998 /nfs/dbraw/zinc/66/99/98/911669998.db2.gz WNJIJJLTKFEQIS-LBPRGKRZSA-N 2 2 270.352 0.961 20 0 CCADLP CN(CC[N@H+](C)C[C@@H]1CCCOC1)C(=O)Cn1cc[nH+]c1 ZINC001392335339 911733736 /nfs/dbraw/zinc/73/37/36/911733736.db2.gz QMTUHRMGHFINRN-AWEZNQCLSA-N 2 2 294.399 0.700 20 0 CCADLP CN(CC[N@@H+](C)C[C@@H]1CCCOC1)C(=O)Cn1cc[nH+]c1 ZINC001392335339 911733747 /nfs/dbraw/zinc/73/37/47/911733747.db2.gz QMTUHRMGHFINRN-AWEZNQCLSA-N 2 2 294.399 0.700 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@@H](O)C[NH2+]CC1CCC1 ZINC001392391711 911777992 /nfs/dbraw/zinc/77/79/92/911777992.db2.gz QZSSPDOWFOKUKE-ZDUSSCGKSA-N 2 2 280.372 0.140 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@H](O)C[NH2+]C(C)C)c[nH+]1 ZINC001392397069 911785610 /nfs/dbraw/zinc/78/56/10/911785610.db2.gz XQQJDCATKGBCMK-GFCCVEGCSA-N 2 2 282.388 0.402 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)C[NH2+]CC1CC(C)C1 ZINC001392424395 911795298 /nfs/dbraw/zinc/79/52/98/911795298.db2.gz VVOWCFCMSUWKKN-KGPNIALWSA-N 2 2 294.399 0.373 20 0 CCADLP COC[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001392434045 911800662 /nfs/dbraw/zinc/80/06/62/911800662.db2.gz GSEMQWKCXZBUPX-VXGBXAGGSA-N 2 2 282.388 0.482 20 0 CCADLP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1cnsn1)[NH+](C)C ZINC001392523866 911891734 /nfs/dbraw/zinc/89/17/34/911891734.db2.gz NHMPXAKHZLWOMT-MWLCHTKSSA-N 2 2 285.417 0.473 20 0 CCADLP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cnsn1)[NH+](C)C ZINC001392576411 911952579 /nfs/dbraw/zinc/95/25/79/911952579.db2.gz NHMPXAKHZLWOMT-GXSJLCMTSA-N 2 2 285.417 0.473 20 0 CCADLP CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1nnc(C)o1)[NH+](C)C ZINC001392597880 911972752 /nfs/dbraw/zinc/97/27/52/911972752.db2.gz UHMZERSAWQQSLW-NHCYSSNCSA-N 2 2 297.403 0.874 20 0 CCADLP COCC[N@H+](C)C[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001392699196 912098956 /nfs/dbraw/zinc/09/89/56/912098956.db2.gz DDEVSEDAOKNNNN-QWHCGFSZSA-N 2 2 282.388 0.917 20 0 CCADLP COCC[N@@H+](C)C[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001392699196 912098970 /nfs/dbraw/zinc/09/89/70/912098970.db2.gz DDEVSEDAOKNNNN-QWHCGFSZSA-N 2 2 282.388 0.917 20 0 CCADLP Cc1cnc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001398867050 914891803 /nfs/dbraw/zinc/89/18/03/914891803.db2.gz DUEHUKACMHHWRU-ZYHUDNBSSA-N 2 2 280.372 0.672 20 0 CCADLP Cc1cnc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001398867050 914891826 /nfs/dbraw/zinc/89/18/26/914891826.db2.gz DUEHUKACMHHWRU-ZYHUDNBSSA-N 2 2 280.372 0.672 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH2+]Cc1csnn1 ZINC001398998334 914988452 /nfs/dbraw/zinc/98/84/52/914988452.db2.gz GUYTXRDBSWQWID-VIFPVBQESA-N 2 2 294.384 0.338 20 0 CCADLP Cc1cnc(C[NH2+][C@H](C)CNC(=O)C2(C[NH+](C)C)CC2)o1 ZINC001399045572 915017488 /nfs/dbraw/zinc/01/74/88/915017488.db2.gz QBKYVGUXHGJFOF-LLVKDONJSA-N 2 2 294.399 0.919 20 0 CCADLP O=C1NCCC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC001328478170 915224542 /nfs/dbraw/zinc/22/45/42/915224542.db2.gz OBEJEFVZBIPWSV-QWHCGFSZSA-N 2 2 267.373 0.108 20 0 CCADLP C[N@H+](CCNC(=O)CCn1cc[nH+]c1)C[C@@H]1CCCOC1 ZINC001399560144 915226841 /nfs/dbraw/zinc/22/68/41/915226841.db2.gz ZGIJNQHRIFQXOS-AWEZNQCLSA-N 2 2 294.399 0.748 20 0 CCADLP C[N@@H+](CCNC(=O)CCn1cc[nH+]c1)C[C@@H]1CCCOC1 ZINC001399560144 915226857 /nfs/dbraw/zinc/22/68/57/915226857.db2.gz ZGIJNQHRIFQXOS-AWEZNQCLSA-N 2 2 294.399 0.748 20 0 CCADLP CO[C@@H](C)C[N@H+](C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001399580464 915249331 /nfs/dbraw/zinc/24/93/31/915249331.db2.gz NOAMEBZXLGJGNR-STQMWFEESA-N 2 2 282.388 0.917 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001399580464 915249351 /nfs/dbraw/zinc/24/93/51/915249351.db2.gz NOAMEBZXLGJGNR-STQMWFEESA-N 2 2 282.388 0.917 20 0 CCADLP O=C(NC1CC(C[NH2+]CCF)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001328879655 915494470 /nfs/dbraw/zinc/49/44/70/915494470.db2.gz KEZMQLHGNXTHCA-OTTFEQOBSA-N 2 2 294.374 0.899 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCN(C)C(=O)[C@H]2CCC[N@@H+]2C)[nH]1 ZINC001400049528 915528488 /nfs/dbraw/zinc/52/84/88/915528488.db2.gz IOTSMRCXLPMKBI-CMPLNLGQSA-N 2 2 294.403 0.316 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCN(C)C(=O)[C@H]2CCC[N@H+]2C)[nH]1 ZINC001400049528 915528494 /nfs/dbraw/zinc/52/84/94/915528494.db2.gz IOTSMRCXLPMKBI-CMPLNLGQSA-N 2 2 294.403 0.316 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCN(C)C(=O)C[NH+]2CCCC2)[nH]1 ZINC001400084359 915556136 /nfs/dbraw/zinc/55/61/36/915556136.db2.gz JYFJDDOTBSZLAA-NSHDSACASA-N 2 2 294.403 0.318 20 0 CCADLP CC[C@@H](C(=O)NC1C[NH+](C[C@H]2CC(C)(C)CO2)C1)[NH+](C)C ZINC001400392813 915725398 /nfs/dbraw/zinc/72/53/98/915725398.db2.gz RUAGCYQBEFEHKZ-KGLIPLIRSA-N 2 2 297.443 0.942 20 0 CCADLP O=C(CCC[NH+]1CCCC1)NCC1C[NH+](CCF)C1 ZINC001400571587 915814529 /nfs/dbraw/zinc/81/45/29/915814529.db2.gz KRJGLSMCPBKHQD-UHFFFAOYSA-N 2 2 271.380 0.880 20 0 CCADLP CC[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)CC[C@H]1[NH3+] ZINC001329499931 915965910 /nfs/dbraw/zinc/96/59/10/915965910.db2.gz WUXMQQBSBGMOAM-QJPTWQEYSA-N 2 2 260.403 0.480 20 0 CCADLP CC[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)CC[C@H]1[NH3+] ZINC001329499931 915965929 /nfs/dbraw/zinc/96/59/29/915965929.db2.gz WUXMQQBSBGMOAM-QJPTWQEYSA-N 2 2 260.403 0.480 20 0 CCADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+]Cc1cnon1 ZINC001401120121 916057860 /nfs/dbraw/zinc/05/78/60/916057860.db2.gz JNJDFEGORAWOGZ-NSHDSACASA-N 2 2 292.343 0.198 20 0 CCADLP CCc1nnc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001401672726 916453227 /nfs/dbraw/zinc/45/32/27/916453227.db2.gz XKEVDHLXVLPFRC-GHMZBOCLSA-N 2 2 295.387 0.178 20 0 CCADLP CCc1nnc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001401672726 916453239 /nfs/dbraw/zinc/45/32/39/916453239.db2.gz XKEVDHLXVLPFRC-GHMZBOCLSA-N 2 2 295.387 0.178 20 0 CCADLP CC(C)OCC[N@H+](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001401784993 916587902 /nfs/dbraw/zinc/58/79/02/916587902.db2.gz QYNUKKSVXNDBFM-LBPRGKRZSA-N 2 2 282.388 0.814 20 0 CCADLP CC(C)OCC[N@@H+](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001401784993 916587915 /nfs/dbraw/zinc/58/79/15/916587915.db2.gz QYNUKKSVXNDBFM-LBPRGKRZSA-N 2 2 282.388 0.814 20 0 CCADLP O[C@@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccccn1 ZINC001330620022 916749324 /nfs/dbraw/zinc/74/93/24/916749324.db2.gz CHRCNQKUZHKMDY-HZMBPMFUSA-N 2 2 258.325 0.985 20 0 CCADLP C[C@H](C(=O)N[C@@H](CO)C[NH+]1CCCC1)n1cc[nH+]c1 ZINC001330737377 916824496 /nfs/dbraw/zinc/82/44/96/916824496.db2.gz CAQFMAVCBPIXOW-VXGBXAGGSA-N 2 2 266.345 0.017 20 0 CCADLP CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001402232369 916881716 /nfs/dbraw/zinc/88/17/16/916881716.db2.gz BXWGGZKBQFTUCX-NSHDSACASA-N 2 2 286.326 0.976 20 0 CCADLP CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001402232369 916881731 /nfs/dbraw/zinc/88/17/31/916881731.db2.gz BXWGGZKBQFTUCX-NSHDSACASA-N 2 2 286.326 0.976 20 0 CCADLP CCn1ncnc1C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC001330806281 916885282 /nfs/dbraw/zinc/88/52/82/916885282.db2.gz PACCRYQKWFDSKT-LBPRGKRZSA-N 2 2 266.393 0.024 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)c1ncoc1C[NH3+] ZINC001330881075 916950115 /nfs/dbraw/zinc/95/01/15/916950115.db2.gz ZBMSULAJYORPLU-UHFFFAOYSA-N 2 2 263.301 0.492 20 0 CCADLP CCC[N@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001403906167 918105890 /nfs/dbraw/zinc/10/58/90/918105890.db2.gz LTGHMYGTTBDBMS-ZDUSSCGKSA-N 2 2 282.388 0.124 20 0 CCADLP CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001403906167 918105907 /nfs/dbraw/zinc/10/59/07/918105907.db2.gz LTGHMYGTTBDBMS-ZDUSSCGKSA-N 2 2 282.388 0.124 20 0 CCADLP CN(C[C@@H](O)C[N@H+](C)CC1CCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001403920724 918120382 /nfs/dbraw/zinc/12/03/82/918120382.db2.gz MAWQXCNWUMFYFS-AWEZNQCLSA-N 2 2 294.399 0.503 20 0 CCADLP CN(C[C@@H](O)C[N@@H+](C)CC1CCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001403920724 918120391 /nfs/dbraw/zinc/12/03/91/918120391.db2.gz MAWQXCNWUMFYFS-AWEZNQCLSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@]1(C[NH3+])CC[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001332423447 918145672 /nfs/dbraw/zinc/14/56/72/918145672.db2.gz BSVMUHNRRBNIBT-NWDGAFQWSA-N 2 2 260.403 0.482 20 0 CCADLP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001332423447 918145681 /nfs/dbraw/zinc/14/56/81/918145681.db2.gz BSVMUHNRRBNIBT-NWDGAFQWSA-N 2 2 260.403 0.482 20 0 CCADLP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3CCN(C4CC4)C3=O)CC[C@@H]21 ZINC001333052801 918623816 /nfs/dbraw/zinc/62/38/16/918623816.db2.gz DVZAKVZNTMBMCQ-KWCYVHTRSA-N 2 2 263.385 0.776 20 0 CCADLP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCN(C4CC4)C3=O)CC[C@@H]21 ZINC001333052801 918623829 /nfs/dbraw/zinc/62/38/29/918623829.db2.gz DVZAKVZNTMBMCQ-KWCYVHTRSA-N 2 2 263.385 0.776 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCN(C4CC4)C3=O)CC[C@@H]21 ZINC001333052801 918623841 /nfs/dbraw/zinc/62/38/41/918623841.db2.gz DVZAKVZNTMBMCQ-KWCYVHTRSA-N 2 2 263.385 0.776 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCN(C4CC4)C3=O)CC[C@@H]21 ZINC001333052801 918623853 /nfs/dbraw/zinc/62/38/53/918623853.db2.gz DVZAKVZNTMBMCQ-KWCYVHTRSA-N 2 2 263.385 0.776 20 0 CCADLP CC(C)OCC[NH2+]C1CC(N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001333130569 918672828 /nfs/dbraw/zinc/67/28/28/918672828.db2.gz LQEWSYRVMQPIBO-UHFFFAOYSA-N 2 2 294.399 0.956 20 0 CCADLP C[C@H](O)C[NH2+]C[C@](C)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001405511518 918786902 /nfs/dbraw/zinc/78/69/02/918786902.db2.gz QREWZRTZEODJBJ-HZMBPMFUSA-N 2 2 280.372 0.208 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@H](C)C[NH2+]C[C@H](C)O)c[nH+]1 ZINC001405664550 918852916 /nfs/dbraw/zinc/85/29/16/918852916.db2.gz JUVUFEQUGBOGOL-YPMHNXCESA-N 2 2 296.415 0.649 20 0 CCADLP OC1CC2(C[C@H]2[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC001333824050 919189063 /nfs/dbraw/zinc/18/90/63/919189063.db2.gz AIXNKHNOUAITMW-FGZQJIAISA-N 2 2 266.385 0.743 20 0 CCADLP C[C@H](C[NH2+]Cc1nccs1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001406337137 919191000 /nfs/dbraw/zinc/19/10/00/919191000.db2.gz MEFLZUKEOJMWEC-GHMZBOCLSA-N 2 2 298.412 0.068 20 0 CCADLP C[C@H](C[NH2+]Cc1nccs1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001406337137 919191004 /nfs/dbraw/zinc/19/10/04/919191004.db2.gz MEFLZUKEOJMWEC-GHMZBOCLSA-N 2 2 298.412 0.068 20 0 CCADLP [NH3+][C@H]1CCC[C@H](NC(=O)N2CCn3c[nH+]cc3C2)C1 ZINC001334260697 919464360 /nfs/dbraw/zinc/46/43/60/919464360.db2.gz DXZAOLOMKLICEC-QWRGUYRKSA-N 2 2 263.345 0.678 20 0 CCADLP C[N@H+](CC(=O)NC[C@H]1CC[NH+]1CCO)Cc1ccccc1 ZINC001406900365 919526943 /nfs/dbraw/zinc/52/69/43/919526943.db2.gz XTIDBQSNZKIUCC-OAHLLOKOSA-N 2 2 291.395 0.301 20 0 CCADLP C[N@@H+](CC(=O)NC[C@H]1CC[NH+]1CCO)Cc1ccccc1 ZINC001406900365 919526954 /nfs/dbraw/zinc/52/69/54/919526954.db2.gz XTIDBQSNZKIUCC-OAHLLOKOSA-N 2 2 291.395 0.301 20 0 CCADLP C[NH+](CC(=O)NC[C@H]1CC[N@@H+]1CCO)Cc1ccccc1 ZINC001406900365 919526965 /nfs/dbraw/zinc/52/69/65/919526965.db2.gz XTIDBQSNZKIUCC-OAHLLOKOSA-N 2 2 291.395 0.301 20 0 CCADLP C[NH+](CC(=O)NC[C@H]1CC[N@H+]1CCO)Cc1ccccc1 ZINC001406900365 919526975 /nfs/dbraw/zinc/52/69/75/919526975.db2.gz XTIDBQSNZKIUCC-OAHLLOKOSA-N 2 2 291.395 0.301 20 0 CCADLP Cn1ccc(C[N@@H+]2CC[C@@](C)(NC(=O)CC[NH+](C)C)C2)n1 ZINC001407180688 919656168 /nfs/dbraw/zinc/65/61/68/919656168.db2.gz OHTLBJHEPUTKHQ-OAHLLOKOSA-N 2 2 293.415 0.452 20 0 CCADLP Cn1ccc(C[N@H+]2CC[C@@](C)(NC(=O)CC[NH+](C)C)C2)n1 ZINC001407180688 919656182 /nfs/dbraw/zinc/65/61/82/919656182.db2.gz OHTLBJHEPUTKHQ-OAHLLOKOSA-N 2 2 293.415 0.452 20 0 CCADLP CC(C)(C(=O)N1CC([NH+]2CCCC2)C1)c1c[nH+]c[nH]1 ZINC001334690161 919707643 /nfs/dbraw/zinc/70/76/43/919707643.db2.gz VIUWTLHYEAMSME-UHFFFAOYSA-N 2 2 262.357 0.994 20 0 CCADLP CC(C)CC[NH+]1CC(O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001407413007 919745911 /nfs/dbraw/zinc/74/59/11/919745911.db2.gz AYCPPPWERIBJLV-CQSZACIVSA-N 2 2 297.443 0.680 20 0 CCADLP CC(=O)NCC[NH+]1CCC([NH2+]C[C@H]2CC[C@@H](C)O2)CC1 ZINC001407568854 919812202 /nfs/dbraw/zinc/81/22/02/919812202.db2.gz IGQUVDPBYFPYBS-IUODEOHRSA-N 2 2 283.416 0.744 20 0 CCADLP COc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)o1 ZINC001334952888 919862801 /nfs/dbraw/zinc/86/28/01/919862801.db2.gz QEXGQYUCABBMNT-LBPRGKRZSA-N 2 2 295.383 0.965 20 0 CCADLP COc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)o1 ZINC001334952888 919862813 /nfs/dbraw/zinc/86/28/13/919862813.db2.gz QEXGQYUCABBMNT-LBPRGKRZSA-N 2 2 295.383 0.965 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c[nH]1 ZINC001414082233 919904849 /nfs/dbraw/zinc/90/48/49/919904849.db2.gz FQYNIJVKACWVGA-QWHCGFSZSA-N 2 2 293.367 0.754 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c[nH]1 ZINC001414082233 919904857 /nfs/dbraw/zinc/90/48/57/919904857.db2.gz FQYNIJVKACWVGA-QWHCGFSZSA-N 2 2 293.367 0.754 20 0 CCADLP C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001335306998 920110732 /nfs/dbraw/zinc/11/07/32/920110732.db2.gz AUUWGTNEKRGFIY-QWRGUYRKSA-N 2 2 250.346 0.560 20 0 CCADLP C[C@H](C[NH2+]CC(C)(C)n1cc[nH+]c1)S(C)(=O)=O ZINC001335487212 920230749 /nfs/dbraw/zinc/23/07/49/920230749.db2.gz VTSNLKPPKCXKST-SNVBAGLBSA-N 2 2 259.375 0.641 20 0 CCADLP Cc1noc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001418209947 921917418 /nfs/dbraw/zinc/91/74/18/921917418.db2.gz FPVRKBYRPPUNTL-GXSJLCMTSA-N 2 2 281.360 0.067 20 0 CCADLP Cc1noc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001418209947 921917428 /nfs/dbraw/zinc/91/74/28/921917428.db2.gz FPVRKBYRPPUNTL-GXSJLCMTSA-N 2 2 281.360 0.067 20 0 CCADLP CCCN(C(=O)Cc1[nH]cc[nH+]1)C1CC[NH2+]CC1 ZINC001340129931 921971939 /nfs/dbraw/zinc/97/19/39/921971939.db2.gz VGGZQBTUBAMGCS-UHFFFAOYSA-N 2 2 250.346 0.943 20 0 CCADLP Cc1noc([C@H](C)[NH2+][C@H](C)CNC(=O)CCC[NH+](C)C)n1 ZINC001418265779 921978158 /nfs/dbraw/zinc/97/81/58/921978158.db2.gz MXLBCLVKZHKVJK-MNOVXSKESA-N 2 2 297.403 0.875 20 0 CCADLP [NH3+]CCN(Cc1ccccc1)C(=O)Cc1[nH]cc[nH+]1 ZINC001340268118 922035128 /nfs/dbraw/zinc/03/51/28/922035128.db2.gz XWAZLOKZAKIAMF-UHFFFAOYSA-N 2 2 258.325 0.940 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[NH2+]1 ZINC001340923690 922279391 /nfs/dbraw/zinc/27/93/91/922279391.db2.gz SWFYQUCKGYKHTL-IJLUTSLNSA-N 2 2 262.357 0.702 20 0 CCADLP CCO[C@H](CNC(=O)C[C@H]([NH3+])C(F)F)C[NH+](C)C ZINC001341059791 922332339 /nfs/dbraw/zinc/33/23/39/922332339.db2.gz ZVGTTYROCZXPRD-BDAKNGLRSA-N 2 2 267.320 0.052 20 0 CCADLP C[C@@H](CC(=O)NC[C@@H]1C[NH2+]C[C@H]1C)n1cc[nH+]c1 ZINC001341648238 922603362 /nfs/dbraw/zinc/60/33/62/922603362.db2.gz RTOWJKOTQRMMIU-WOPDTQHZSA-N 2 2 250.346 0.806 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001419109508 922637501 /nfs/dbraw/zinc/63/75/01/922637501.db2.gz FQBRAGJFIFIGNM-STQMWFEESA-N 2 2 280.372 0.187 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001419109508 922637507 /nfs/dbraw/zinc/63/75/07/922637507.db2.gz FQBRAGJFIFIGNM-STQMWFEESA-N 2 2 280.372 0.187 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC001341763572 922661117 /nfs/dbraw/zinc/66/11/17/922661117.db2.gz FOASGACBSMVTRB-GWCFXTLKSA-N 2 2 250.346 0.786 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC001341763572 922661131 /nfs/dbraw/zinc/66/11/31/922661131.db2.gz FOASGACBSMVTRB-GWCFXTLKSA-N 2 2 250.346 0.786 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C[C@H]1CCC[NH2+]1 ZINC001342303455 922902033 /nfs/dbraw/zinc/90/20/33/922902033.db2.gz NNOUGEZYMJTNLT-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001342509583 922986626 /nfs/dbraw/zinc/98/66/26/922986626.db2.gz MUAUNQHTUPIMSS-UTUOFQBUSA-N 2 2 262.357 0.417 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC[C@H]1CCOC1 ZINC001419842819 923130373 /nfs/dbraw/zinc/13/03/73/923130373.db2.gz AGXFOIBEQRGWDA-RYUDHWBXSA-N 2 2 280.372 0.473 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001419912386 923162808 /nfs/dbraw/zinc/16/28/08/923162808.db2.gz VOSMXHREVHCFRR-YPMHNXCESA-N 2 2 282.388 0.718 20 0 CCADLP Cc1[nH]c(CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)c(C)[nH+]1 ZINC001419912397 923163282 /nfs/dbraw/zinc/16/32/82/923163282.db2.gz HVFKDRUMSADANJ-GFCCVEGCSA-N 2 2 278.356 0.363 20 0 CCADLP CC1CC(C[NH2+]C[C@@H](O)CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001420194806 923394120 /nfs/dbraw/zinc/39/41/20/923394120.db2.gz KGWQRVICOYAGTI-ORHYLEIMSA-N 2 2 294.399 0.075 20 0 CCADLP Cc1oncc1C[NH+](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001420295368 923513267 /nfs/dbraw/zinc/51/32/67/923513267.db2.gz IJZBRBIWGAEFQF-LBPRGKRZSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1oncc1C[NH+](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001420295368 923513280 /nfs/dbraw/zinc/51/32/80/923513280.db2.gz IJZBRBIWGAEFQF-LBPRGKRZSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1oncc1C[N@@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001420295368 923513297 /nfs/dbraw/zinc/51/32/97/923513297.db2.gz IJZBRBIWGAEFQF-LBPRGKRZSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1oncc1C[N@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001420295368 923513311 /nfs/dbraw/zinc/51/33/11/923513311.db2.gz IJZBRBIWGAEFQF-LBPRGKRZSA-N 2 2 294.399 0.873 20 0 CCADLP C[C@H](C[NH2+]Cc1csnn1)NC(=O)C12CC[NH+](CC1)C2 ZINC001420371888 923588808 /nfs/dbraw/zinc/58/88/08/923588808.db2.gz KVIMEACOKVRFHR-SNVBAGLBSA-N 2 2 295.412 0.228 20 0 CCADLP CC(C)CNC(=O)C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC001345469836 923898805 /nfs/dbraw/zinc/89/88/05/923898805.db2.gz LPOYBHIOYXYCSS-TZMCWYRMSA-N 2 2 269.389 0.115 20 0 CCADLP COCC[N@@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001420877160 923997590 /nfs/dbraw/zinc/99/75/90/923997590.db2.gz XJNXBYGSVFYVGL-ZDUSSCGKSA-N 2 2 294.399 0.843 20 0 CCADLP COCC[N@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001420877160 923997603 /nfs/dbraw/zinc/99/76/03/923997603.db2.gz XJNXBYGSVFYVGL-ZDUSSCGKSA-N 2 2 294.399 0.843 20 0 CCADLP C[C@@H](O)CCC[N@@H+]1CC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001420890826 924003637 /nfs/dbraw/zinc/00/36/37/924003637.db2.gz YMGLSHJUMXRZOJ-OLZOCXBDSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@@H](O)CCC[N@H+]1CC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001420890826 924003648 /nfs/dbraw/zinc/00/36/48/924003648.db2.gz YMGLSHJUMXRZOJ-OLZOCXBDSA-N 2 2 294.399 0.314 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)C1CN(Cc2c[nH+]cn2C)C1 ZINC001421088399 924146983 /nfs/dbraw/zinc/14/69/83/924146983.db2.gz TWHPXLSLJFJBOM-UHFFFAOYSA-N 2 2 293.415 0.405 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)C1CN(Cc2c[nH+]cn2C)C1 ZINC001421088399 924146993 /nfs/dbraw/zinc/14/69/93/924146993.db2.gz TWHPXLSLJFJBOM-UHFFFAOYSA-N 2 2 293.415 0.405 20 0 CCADLP CC[C@@H](C(=O)NCC1C[NH+](Cc2cncn2C)C1)[NH+](C)C ZINC001421157140 924182059 /nfs/dbraw/zinc/18/20/59/924182059.db2.gz RPZVBSIVOCSTBW-AWEZNQCLSA-N 2 2 293.415 0.308 20 0 CCADLP C[C@H](O)CCC[NH+]1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001421170420 924186957 /nfs/dbraw/zinc/18/69/57/924186957.db2.gz LNDYXFLGQRHZAI-NSHDSACASA-N 2 2 280.372 0.161 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NCCC[NH2+]C ZINC001346464072 924227092 /nfs/dbraw/zinc/22/70/92/924227092.db2.gz RJDUOYSBUMNXDO-GFCCVEGCSA-N 2 2 272.393 0.006 20 0 CCADLP CC1(CNC(=O)CCn2cc[nH+]c2)CC[NH+](CCO)CC1 ZINC001421267772 924244959 /nfs/dbraw/zinc/24/49/59/924244959.db2.gz YXIZGMWPPREICY-UHFFFAOYSA-N 2 2 294.399 0.484 20 0 CCADLP C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001347099217 924371808 /nfs/dbraw/zinc/37/18/08/924371808.db2.gz ULUXXGGJHWDYML-WDEREUQCSA-N 2 2 250.346 0.560 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)c1nccnc1C[NH3+] ZINC001348126781 924598582 /nfs/dbraw/zinc/59/85/82/924598582.db2.gz NDWWLOWCTLBRBF-NSHDSACASA-N 2 2 265.361 0.092 20 0 CCADLP CCn1nccc1C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC001348446421 924689850 /nfs/dbraw/zinc/68/98/50/924689850.db2.gz FKHKGVJIGARAKN-UHFFFAOYSA-N 2 2 262.317 0.147 20 0 CCADLP C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)CCc1[nH+]ccn1C ZINC001349899504 925090032 /nfs/dbraw/zinc/09/00/32/925090032.db2.gz DESIAJQDHXDFAA-NWDGAFQWSA-N 2 2 264.373 0.904 20 0 CCADLP C[C@@H]([NH3+])CN(C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001351539834 925431646 /nfs/dbraw/zinc/43/16/46/925431646.db2.gz RCWHJKXCGGGATG-ZJUUUORDSA-N 2 2 251.334 0.187 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC001413854969 925767082 /nfs/dbraw/zinc/76/70/82/925767082.db2.gz JMSYBFDVNJPWEV-CQSZACIVSA-N 2 2 291.399 0.842 20 0 CCADLP C[NH2+]CCCNC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC001353412801 925826658 /nfs/dbraw/zinc/82/66/58/925826658.db2.gz BRPUYUGZHUZVFP-UHFFFAOYSA-N 2 2 285.417 0.613 20 0 CCADLP CC[NH2+][C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001480539027 925901363 /nfs/dbraw/zinc/90/13/63/925901363.db2.gz XHZXVFPUSPRTKE-HBNTYKKESA-N 2 2 250.346 0.638 20 0 CCADLP C[C@H](Nc1cc[nH+]c(CO)c1)[C@@H]1CN(C)CC[N@@H+]1C ZINC001354266332 926061760 /nfs/dbraw/zinc/06/17/60/926061760.db2.gz LGLJQLSYKFUZQD-FZMZJTMJSA-N 2 2 264.373 0.620 20 0 CCADLP C[C@H](Nc1cc[nH+]c(CO)c1)[C@@H]1CN(C)CC[N@H+]1C ZINC001354266332 926061767 /nfs/dbraw/zinc/06/17/67/926061767.db2.gz LGLJQLSYKFUZQD-FZMZJTMJSA-N 2 2 264.373 0.620 20 0 CCADLP CCO[C@@H](C(=O)NCC[NH+]1CCC([NH3+])CC1)C1CC1 ZINC001354771226 926162857 /nfs/dbraw/zinc/16/28/57/926162857.db2.gz SZKNMKHYYKIMLT-CYBMUJFWSA-N 2 2 269.389 0.341 20 0 CCADLP Cn1c[nH+]cc1C1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC001356557954 926400409 /nfs/dbraw/zinc/40/04/09/926400409.db2.gz UAVWZOQDAFLOFC-LBPRGKRZSA-N 2 2 262.357 0.878 20 0 CCADLP O=C(NCC1(O)C[NH+](CCCF)C1)C12CCC[NH+]1CCC2 ZINC001421450293 926755270 /nfs/dbraw/zinc/75/52/70/926755270.db2.gz ANFCZOATGBYAKS-UHFFFAOYSA-N 2 2 299.390 0.137 20 0 CCADLP CC(C)[NH2+]CC1(NC(=O)[C@H]2C[N@H+](C)CCO2)CCCC1 ZINC001421508994 926784122 /nfs/dbraw/zinc/78/41/22/926784122.db2.gz SKCJGIWVGKGVEO-CYBMUJFWSA-N 2 2 283.416 0.744 20 0 CCADLP CC(C)[NH2+]CC1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CCCC1 ZINC001421508994 926784129 /nfs/dbraw/zinc/78/41/29/926784129.db2.gz SKCJGIWVGKGVEO-CYBMUJFWSA-N 2 2 283.416 0.744 20 0 CCADLP C[C@H]([NH2+]CCO)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001421521471 926787873 /nfs/dbraw/zinc/78/78/73/926787873.db2.gz HVXLIHQPHPIFEF-STQMWFEESA-N 2 2 280.372 0.092 20 0 CCADLP CC(=O)NCC[NH+]1CCC([NH2+]CCc2cnn(C)c2)CC1 ZINC001421574571 926799787 /nfs/dbraw/zinc/79/97/87/926799787.db2.gz QKQKJGQKBLRKBW-UHFFFAOYSA-N 2 2 293.415 0.153 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCn2c(CO)nnc2C1 ZINC001421587595 926803185 /nfs/dbraw/zinc/80/31/85/926803185.db2.gz FQPBKWITGQPFTE-UHFFFAOYSA-N 2 2 276.344 0.181 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CCn2c(CO)nnc2C1 ZINC001421587595 926803192 /nfs/dbraw/zinc/80/31/92/926803192.db2.gz FQPBKWITGQPFTE-UHFFFAOYSA-N 2 2 276.344 0.181 20 0 CCADLP CN(CCC[N@H+](C)CCO)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001421860715 926951510 /nfs/dbraw/zinc/95/15/10/926951510.db2.gz RQBZBQAIOSHBOX-CYBMUJFWSA-N 2 2 294.399 0.218 20 0 CCADLP CN(CCC[N@@H+](C)CCO)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001421860715 926951520 /nfs/dbraw/zinc/95/15/20/926951520.db2.gz RQBZBQAIOSHBOX-CYBMUJFWSA-N 2 2 294.399 0.218 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)CCc1[nH+]ccn1C ZINC001421931089 926996140 /nfs/dbraw/zinc/99/61/40/926996140.db2.gz DTPPURMQOGBGCR-CHWSQXEVSA-N 2 2 296.415 0.824 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1csnn1 ZINC001421984963 927024749 /nfs/dbraw/zinc/02/47/49/927024749.db2.gz GGVVUPJYJVPLTI-NSHDSACASA-N 2 2 299.444 0.816 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1csnn1 ZINC001421984963 927024759 /nfs/dbraw/zinc/02/47/59/927024759.db2.gz GGVVUPJYJVPLTI-NSHDSACASA-N 2 2 299.444 0.816 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCC(O)(c2ncnn2C)CC1 ZINC001422188740 927133048 /nfs/dbraw/zinc/13/30/48/927133048.db2.gz DEIJGLIEHQMBBJ-UHFFFAOYSA-N 2 2 290.371 0.304 20 0 CCADLP C[C@H](C[NH2+]Cc1csnn1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001422521056 927346808 /nfs/dbraw/zinc/34/68/08/927346808.db2.gz ZGWMFHCGNPWZDA-PWSUYJOCSA-N 2 2 297.428 0.617 20 0 CCADLP C[C@H](C[NH2+]Cc1csnn1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001422521056 927346826 /nfs/dbraw/zinc/34/68/26/927346826.db2.gz ZGWMFHCGNPWZDA-PWSUYJOCSA-N 2 2 297.428 0.617 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC001362035472 927542133 /nfs/dbraw/zinc/54/21/33/927542133.db2.gz NLKQELKHAFEQPC-HUUCEWRRSA-N 2 2 297.443 0.897 20 0 CCADLP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1nncs1)[NH+](C)C ZINC001423081694 927664357 /nfs/dbraw/zinc/66/43/57/927664357.db2.gz VSUSNMVMRRBDAU-GHMZBOCLSA-N 2 2 299.444 0.815 20 0 CCADLP C[C@@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cccnc1 ZINC001423131014 927685803 /nfs/dbraw/zinc/68/58/03/927685803.db2.gz HDRVILWQJROKNO-LBPRGKRZSA-N 2 2 287.367 0.984 20 0 CCADLP CC(C)(C)CC[NH2+][C@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC001423256795 927770872 /nfs/dbraw/zinc/77/08/72/927770872.db2.gz ZDLROHJUVLNOSC-ZDUSSCGKSA-N 2 2 296.415 0.776 20 0 CCADLP Cc1conc1C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001423303627 927802735 /nfs/dbraw/zinc/80/27/35/927802735.db2.gz PFFCPUDFUSZRCU-UHFFFAOYSA-N 2 2 292.383 0.817 20 0 CCADLP CCC[N@H+](C)CCN(C(=O)[C@H]1C[NH+](C)CCO1)C(C)C ZINC001423561867 927922807 /nfs/dbraw/zinc/92/28/07/927922807.db2.gz WTSWJFIGHVXUOK-CQSZACIVSA-N 2 2 285.432 0.896 20 0 CCADLP CCC[N@@H+](C)CCN(C(=O)[C@H]1C[NH+](C)CCO1)C(C)C ZINC001423561867 927922812 /nfs/dbraw/zinc/92/28/12/927922812.db2.gz WTSWJFIGHVXUOK-CQSZACIVSA-N 2 2 285.432 0.896 20 0 CCADLP CCC[NH+](C)CCN(C(=O)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC001423561867 927922821 /nfs/dbraw/zinc/92/28/21/927922821.db2.gz WTSWJFIGHVXUOK-CQSZACIVSA-N 2 2 285.432 0.896 20 0 CCADLP CCC[NH+](C)CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC001423561867 927922823 /nfs/dbraw/zinc/92/28/23/927922823.db2.gz WTSWJFIGHVXUOK-CQSZACIVSA-N 2 2 285.432 0.896 20 0 CCADLP CC(C)C[NH2+]CC1(NC(=O)Cn2cc[nH+]c2)CCOCC1 ZINC001424434384 928183312 /nfs/dbraw/zinc/18/33/12/928183312.db2.gz JTWGEMGCBHOJEN-UHFFFAOYSA-N 2 2 294.399 0.794 20 0 CCADLP CC(C)[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]C[C@@H](C)O ZINC001425465294 928555142 /nfs/dbraw/zinc/55/51/42/928555142.db2.gz JIYHVDUVCJAGIN-VXGBXAGGSA-N 2 2 282.388 0.454 20 0 CCADLP COC[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001425685483 928624767 /nfs/dbraw/zinc/62/47/67/928624767.db2.gz UMBBMLJHBSZTLG-VXGBXAGGSA-N 2 2 282.388 0.434 20 0 CCADLP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N3CC[NH+](C)[C@@H](CO)C3)C[N@@H+]2C1 ZINC001363231511 929004380 /nfs/dbraw/zinc/00/43/80/929004380.db2.gz IJFROZHOGPFQDO-APIJFGDWSA-N 2 2 295.427 0.242 20 0 CCADLP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N3CC[NH+](C)[C@@H](CO)C3)C[N@H+]2C1 ZINC001363231511 929004389 /nfs/dbraw/zinc/00/43/89/929004389.db2.gz IJFROZHOGPFQDO-APIJFGDWSA-N 2 2 295.427 0.242 20 0 CCADLP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N3CC[N@H+](C)[C@@H](CO)C3)C[NH+]2C1 ZINC001363231511 929004398 /nfs/dbraw/zinc/00/43/98/929004398.db2.gz IJFROZHOGPFQDO-APIJFGDWSA-N 2 2 295.427 0.242 20 0 CCADLP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N3CC[N@@H+](C)[C@@H](CO)C3)C[NH+]2C1 ZINC001363231511 929004408 /nfs/dbraw/zinc/00/44/08/929004408.db2.gz IJFROZHOGPFQDO-APIJFGDWSA-N 2 2 295.427 0.242 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC001363354623 929140820 /nfs/dbraw/zinc/14/08/20/929140820.db2.gz HWHNHIYEPCRWAQ-HUUCEWRRSA-N 2 2 289.379 0.959 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC001363354623 929140823 /nfs/dbraw/zinc/14/08/23/929140823.db2.gz HWHNHIYEPCRWAQ-HUUCEWRRSA-N 2 2 289.379 0.959 20 0 CCADLP C[C@H]1COCCN1CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001363803314 929592450 /nfs/dbraw/zinc/59/24/50/929592450.db2.gz DCYMZVNGUYIKGQ-HOCLYGCPSA-N 2 2 297.443 0.238 20 0 CCADLP C[C@H]1COCCN1CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001363803314 929592452 /nfs/dbraw/zinc/59/24/52/929592452.db2.gz DCYMZVNGUYIKGQ-HOCLYGCPSA-N 2 2 297.443 0.238 20 0 CCADLP CCCC[NH+]1CC(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001443558580 929644275 /nfs/dbraw/zinc/64/42/75/929644275.db2.gz MPUPCSGQENGWLX-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccn(C)n1 ZINC001371857968 929648455 /nfs/dbraw/zinc/64/84/55/929648455.db2.gz UTEIWHPFGKHRQB-LLVKDONJSA-N 2 2 290.371 0.370 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC001443583120 929654003 /nfs/dbraw/zinc/65/40/03/929654003.db2.gz MSYGUSQSEFQFNO-OLZOCXBDSA-N 2 2 271.405 0.411 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC001443583120 929654014 /nfs/dbraw/zinc/65/40/14/929654014.db2.gz MSYGUSQSEFQFNO-OLZOCXBDSA-N 2 2 271.405 0.411 20 0 CCADLP C[C@@H](CC(=O)N(C)[C@@H]1CC[N@H+](CCCO)C1)n1cc[nH+]c1 ZINC001443828762 929715715 /nfs/dbraw/zinc/71/57/15/929715715.db2.gz WRYPGWBLMMWICE-UONOGXRCSA-N 2 2 294.399 0.749 20 0 CCADLP C[C@@H](CC(=O)N(C)[C@@H]1CC[N@@H+](CCCO)C1)n1cc[nH+]c1 ZINC001443828762 929715727 /nfs/dbraw/zinc/71/57/27/929715727.db2.gz WRYPGWBLMMWICE-UONOGXRCSA-N 2 2 294.399 0.749 20 0 CCADLP Cc1ncc(C[N@H+](C)CCNC(=O)C[C@H]2CC[NH+](C)C2)o1 ZINC001372183726 929759656 /nfs/dbraw/zinc/75/96/56/929759656.db2.gz OHHYTNULBNGTGJ-CYBMUJFWSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1ncc(C[N@@H+](C)CCNC(=O)C[C@H]2CC[NH+](C)C2)o1 ZINC001372183726 929759664 /nfs/dbraw/zinc/75/96/64/929759664.db2.gz OHHYTNULBNGTGJ-CYBMUJFWSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1ncc(C[NH+](C)CCNC(=O)C[C@H]2CC[N@H+](C)C2)o1 ZINC001372183726 929759674 /nfs/dbraw/zinc/75/96/74/929759674.db2.gz OHHYTNULBNGTGJ-CYBMUJFWSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1ncc(C[NH+](C)CCNC(=O)C[C@H]2CC[N@@H+](C)C2)o1 ZINC001372183726 929759679 /nfs/dbraw/zinc/75/96/79/929759679.db2.gz OHHYTNULBNGTGJ-CYBMUJFWSA-N 2 2 294.399 0.873 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]Cc1nccs1 ZINC001444386088 929859086 /nfs/dbraw/zinc/85/90/86/929859086.db2.gz HAPYJEGFHJIDQU-JTQLQIEISA-N 2 2 293.396 0.951 20 0 CCADLP C[C@@H](C[NH2+]C[C@@H]1CCOC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001444688047 929931970 /nfs/dbraw/zinc/93/19/70/929931970.db2.gz IHISTLPLZPXJSE-RYUDHWBXSA-N 2 2 280.372 0.425 20 0 CCADLP C[C@H](O)C[NH2+][C@@H](C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001373042066 930057293 /nfs/dbraw/zinc/05/72/93/930057293.db2.gz YYIOAWPSWLANKZ-STQMWFEESA-N 2 2 294.399 0.481 20 0 CCADLP C[C@H](C[NH2+]C[C@H]1CCCCO1)NC(=O)Cn1cc[nH+]c1 ZINC001445501331 930149015 /nfs/dbraw/zinc/14/90/15/930149015.db2.gz QUZOVPWUGOWSLZ-CHWSQXEVSA-N 2 2 280.372 0.547 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001373453224 930199693 /nfs/dbraw/zinc/19/96/93/930199693.db2.gz NGMIMHUDHSSAEP-WCQYABFASA-N 2 2 271.405 0.408 20 0 CCADLP CCO[C@H](C[NH+]1CC(NC(=O)C[N@H+](C)C(C)C)C1)C1CC1 ZINC001373490408 930217789 /nfs/dbraw/zinc/21/77/89/930217789.db2.gz UBHSMLKUUBGGTF-OAHLLOKOSA-N 2 2 297.443 0.942 20 0 CCADLP CCO[C@H](C[NH+]1CC(NC(=O)C[N@@H+](C)C(C)C)C1)C1CC1 ZINC001373490408 930217801 /nfs/dbraw/zinc/21/78/01/930217801.db2.gz UBHSMLKUUBGGTF-OAHLLOKOSA-N 2 2 297.443 0.942 20 0 CCADLP CC[C@@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+]C[C@@H](C)O ZINC001373822948 930352879 /nfs/dbraw/zinc/35/28/79/930352879.db2.gz RJKYFOPNIIZCJG-NEPJUHHUSA-N 2 2 282.388 0.218 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001374237663 930461449 /nfs/dbraw/zinc/46/14/49/930461449.db2.gz ZRBXGUGORBYOIM-VXGBXAGGSA-N 2 2 282.388 0.814 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001374237663 930461453 /nfs/dbraw/zinc/46/14/53/930461453.db2.gz ZRBXGUGORBYOIM-VXGBXAGGSA-N 2 2 282.388 0.814 20 0 CCADLP C[C@H](O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001374510576 930538792 /nfs/dbraw/zinc/53/87/92/930538792.db2.gz SXFHWJOSYMKMHS-QWHCGFSZSA-N 2 2 294.399 0.217 20 0 CCADLP C[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001374510576 930538810 /nfs/dbraw/zinc/53/88/10/930538810.db2.gz SXFHWJOSYMKMHS-QWHCGFSZSA-N 2 2 294.399 0.217 20 0 CCADLP CC(C)[NH2+]CCN(CCO)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001447060092 930557758 /nfs/dbraw/zinc/55/77/58/930557758.db2.gz SMSNMQDCBOQBJT-CYBMUJFWSA-N 2 2 294.399 0.264 20 0 CCADLP CCC[N@@H+]1CCOC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001447158196 930577685 /nfs/dbraw/zinc/57/76/85/930577685.db2.gz ZVZOGKOGGUKNFK-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[N@H+]1CCOC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001447158196 930577690 /nfs/dbraw/zinc/57/76/90/930577690.db2.gz ZVZOGKOGGUKNFK-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[N@@H+]1CCOC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001447158201 930579932 /nfs/dbraw/zinc/57/99/32/930579932.db2.gz ZVZOGKOGGUKNFK-OAHLLOKOSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[N@H+]1CCOC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001447158201 930579940 /nfs/dbraw/zinc/57/99/40/930579940.db2.gz ZVZOGKOGGUKNFK-OAHLLOKOSA-N 2 2 297.443 0.945 20 0 CCADLP C[C@H](O)C[N@H+](C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001447354494 930613203 /nfs/dbraw/zinc/61/32/03/930613203.db2.gz MQKYVYCBPZRCFD-STQMWFEESA-N 2 2 296.415 0.749 20 0 CCADLP C[C@H](O)C[N@@H+](C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001447354494 930613206 /nfs/dbraw/zinc/61/32/06/930613206.db2.gz MQKYVYCBPZRCFD-STQMWFEESA-N 2 2 296.415 0.749 20 0 CCADLP C[C@H](O)C[N@H+](C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001447354494 930613210 /nfs/dbraw/zinc/61/32/10/930613210.db2.gz MQKYVYCBPZRCFD-STQMWFEESA-N 2 2 296.415 0.749 20 0 CCADLP C[C@H](O)C[N@@H+](C)CCCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001447354494 930613214 /nfs/dbraw/zinc/61/32/14/930613214.db2.gz MQKYVYCBPZRCFD-STQMWFEESA-N 2 2 296.415 0.749 20 0 CCADLP C[C@H](O)C[N@H+](C)C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001447786741 930714141 /nfs/dbraw/zinc/71/41/41/930714141.db2.gz QNXBCKGJRMSVCM-NWDGAFQWSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@H](O)C[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001447786741 930714149 /nfs/dbraw/zinc/71/41/49/930714149.db2.gz QNXBCKGJRMSVCM-NWDGAFQWSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]CC1CCOCC1 ZINC001447909408 930752182 /nfs/dbraw/zinc/75/21/82/930752182.db2.gz NQUQIQPFJVYUHY-RYUDHWBXSA-N 2 2 294.399 0.862 20 0 CCADLP C[C@H](O)C[N@H+](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001375165339 930808476 /nfs/dbraw/zinc/80/84/76/930808476.db2.gz PYFKWMIPVKALHN-STQMWFEESA-N 2 2 282.388 0.481 20 0 CCADLP C[C@H](O)C[N@@H+](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001375165339 930808482 /nfs/dbraw/zinc/80/84/82/930808482.db2.gz PYFKWMIPVKALHN-STQMWFEESA-N 2 2 282.388 0.481 20 0 CCADLP C[NH+](C)[C@H](C(=O)NC[C@H]1CC[N@@H+]1CCO)c1ccccc1 ZINC001375373552 930866589 /nfs/dbraw/zinc/86/65/89/930866589.db2.gz BFVOPMADBXHRHG-CABCVRRESA-N 2 2 291.395 0.472 20 0 CCADLP C[NH+](C)[C@H](C(=O)NC[C@H]1CC[N@H+]1CCO)c1ccccc1 ZINC001375373552 930866591 /nfs/dbraw/zinc/86/65/91/930866591.db2.gz BFVOPMADBXHRHG-CABCVRRESA-N 2 2 291.395 0.472 20 0 CCADLP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)C1C[NH+](CCO)C1 ZINC001375678088 930948784 /nfs/dbraw/zinc/94/87/84/930948784.db2.gz ZPCFRNZNDDDQAM-LBPRGKRZSA-N 2 2 294.399 0.532 20 0 CCADLP CC(C)C[NH+]1CC(N(C)C(=O)CC[NH+]2CCOCC2)C1 ZINC001375714033 930958196 /nfs/dbraw/zinc/95/81/96/930958196.db2.gz CGTRSKBIXKPWDD-UHFFFAOYSA-N 2 2 283.416 0.507 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)N(C)C1C[NH+](CCO)C1 ZINC001375719111 930959679 /nfs/dbraw/zinc/95/96/79/930959679.db2.gz YXEDLRLBUMUOPR-UHFFFAOYSA-N 2 2 280.372 0.107 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC001449092211 931067755 /nfs/dbraw/zinc/06/77/55/931067755.db2.gz VWVBHHSLHWNGAN-YVECIDJPSA-N 2 2 290.367 0.181 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001449092211 931067762 /nfs/dbraw/zinc/06/77/62/931067762.db2.gz VWVBHHSLHWNGAN-YVECIDJPSA-N 2 2 290.367 0.181 20 0 CCADLP CC(C)C[N@H+](C)C[C@H](O)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001449208351 931102896 /nfs/dbraw/zinc/10/28/96/931102896.db2.gz CKDRVDGIZLNDFT-AWEZNQCLSA-N 2 2 296.415 0.680 20 0 CCADLP CC(C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001449208351 931102899 /nfs/dbraw/zinc/10/28/99/931102899.db2.gz CKDRVDGIZLNDFT-AWEZNQCLSA-N 2 2 296.415 0.680 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC001449360394 931132045 /nfs/dbraw/zinc/13/20/45/931132045.db2.gz WARYNEIFHSIXHR-LBPRGKRZSA-N 2 2 280.372 0.224 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCC[N@H+](C)CCO ZINC001376990690 931348676 /nfs/dbraw/zinc/34/86/76/931348676.db2.gz IGRIVYQKIYPAEE-GFCCVEGCSA-N 2 2 282.388 0.361 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCC[N@@H+](C)CCO ZINC001376990690 931348682 /nfs/dbraw/zinc/34/86/82/931348682.db2.gz IGRIVYQKIYPAEE-GFCCVEGCSA-N 2 2 282.388 0.361 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCC[N@H+](C)CCO ZINC001376990690 931348687 /nfs/dbraw/zinc/34/86/87/931348687.db2.gz IGRIVYQKIYPAEE-GFCCVEGCSA-N 2 2 282.388 0.361 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCC[N@@H+](C)CCO ZINC001376990690 931348691 /nfs/dbraw/zinc/34/86/91/931348691.db2.gz IGRIVYQKIYPAEE-GFCCVEGCSA-N 2 2 282.388 0.361 20 0 CCADLP C[C@H](O)C[N@H+](C)CCCN(C)C(=O)CCc1c[nH+]cn1C ZINC001377011868 931354920 /nfs/dbraw/zinc/35/49/20/931354920.db2.gz TYOLDOBCJJHETI-ZDUSSCGKSA-N 2 2 296.415 0.514 20 0 CCADLP C[C@H](O)C[N@@H+](C)CCCN(C)C(=O)CCc1c[nH+]cn1C ZINC001377011868 931354926 /nfs/dbraw/zinc/35/49/26/931354926.db2.gz TYOLDOBCJJHETI-ZDUSSCGKSA-N 2 2 296.415 0.514 20 0 CCADLP CNC(=O)C[NH2+][C@@H](C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001377080270 931376010 /nfs/dbraw/zinc/37/60/10/931376010.db2.gz VSYDCCVKPVYZRR-RYUDHWBXSA-N 2 2 295.387 0.065 20 0 CCADLP [NH3+]C1CC[NH+](CC(=O)NC[C@H]2Cc3ccccc3O2)CC1 ZINC000092714275 349503573 /nfs/dbraw/zinc/50/35/73/349503573.db2.gz PDJYKXSKGMBVPU-CQSZACIVSA-N 2 2 289.379 0.529 20 0 CCADLP CC(C)[C@@H]1CN(CC[N@@H+]2CCO[C@@H](C)C2)CC[NH+]1C ZINC000337464758 214098553 /nfs/dbraw/zinc/09/85/53/214098553.db2.gz MDURDTXRKDZIBB-GJZGRUSLSA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@@H]1CN(CC[N@H+]2CCO[C@@H](C)C2)CC[NH+]1C ZINC000337464758 214098557 /nfs/dbraw/zinc/09/85/57/214098557.db2.gz MDURDTXRKDZIBB-GJZGRUSLSA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@@H]1CN(CC[NH+]2CCO[C@@H](C)C2)CC[N@@H+]1C ZINC000337464758 214098559 /nfs/dbraw/zinc/09/85/59/214098559.db2.gz MDURDTXRKDZIBB-GJZGRUSLSA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@@H]1CN(CC[NH+]2CCO[C@@H](C)C2)CC[N@H+]1C ZINC000337464758 214098561 /nfs/dbraw/zinc/09/85/61/214098561.db2.gz MDURDTXRKDZIBB-GJZGRUSLSA-N 2 2 269.433 0.979 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCOC3(CCCC3)C2)CC1 ZINC000093190829 349529391 /nfs/dbraw/zinc/52/93/91/349529391.db2.gz OKMIAVJHLBKHIX-UHFFFAOYSA-N 2 2 281.400 0.405 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCOC3(CCCC3)C2)CC1 ZINC000093190829 349529394 /nfs/dbraw/zinc/52/93/94/349529394.db2.gz OKMIAVJHLBKHIX-UHFFFAOYSA-N 2 2 281.400 0.405 20 0 CCADLP CC[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1cnn(C)c1 ZINC000093170267 349528652 /nfs/dbraw/zinc/52/86/52/349528652.db2.gz SXMFONHHFBBRBE-UHFFFAOYSA-N 2 2 279.388 0.016 20 0 CCADLP CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1cnn(C)c1 ZINC000093170267 349528656 /nfs/dbraw/zinc/52/86/56/349528656.db2.gz SXMFONHHFBBRBE-UHFFFAOYSA-N 2 2 279.388 0.016 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCc3ccc(F)cc3C2)CC1 ZINC000093200187 349530846 /nfs/dbraw/zinc/53/08/46/349530846.db2.gz LCRDGAHUHGDYJE-UHFFFAOYSA-N 2 2 291.370 0.958 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCc3ccc(F)cc3C2)CC1 ZINC000093200187 349530850 /nfs/dbraw/zinc/53/08/50/349530850.db2.gz LCRDGAHUHGDYJE-UHFFFAOYSA-N 2 2 291.370 0.958 20 0 CCADLP CCN(C(=O)CCn1cc[nH+]c1)[C@H]1CC[N@H+](C)C1 ZINC000617554484 365676866 /nfs/dbraw/zinc/67/68/66/365676866.db2.gz CYGBZKUPUHQBSU-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP CCN(C(=O)CCn1cc[nH+]c1)[C@H]1CC[N@@H+](C)C1 ZINC000617554484 365676872 /nfs/dbraw/zinc/67/68/72/365676872.db2.gz CYGBZKUPUHQBSU-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP c1[nH]cc(CN2CC[NH+](C[C@H]3CCOC3)CC2)[nH+]1 ZINC000093817642 349553365 /nfs/dbraw/zinc/55/33/65/349553365.db2.gz ZHAJWSWNYCWIEP-GFCCVEGCSA-N 2 2 250.346 0.564 20 0 CCADLP c1[nH]c(CN2CC[NH+](C[C@H]3CCOC3)CC2)c[nH+]1 ZINC000093817642 349553368 /nfs/dbraw/zinc/55/33/68/349553368.db2.gz ZHAJWSWNYCWIEP-GFCCVEGCSA-N 2 2 250.346 0.564 20 0 CCADLP COC(=O)C1CCN(C(=O)C[N@H+](C)CC(C)(C)C[NH3+])CC1 ZINC000093874415 349555314 /nfs/dbraw/zinc/55/53/14/349555314.db2.gz PSRJABMYIYIJBU-UHFFFAOYSA-N 2 2 299.415 0.315 20 0 CCADLP COC(=O)C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C[NH3+])CC1 ZINC000093874415 349555315 /nfs/dbraw/zinc/55/53/15/349555315.db2.gz PSRJABMYIYIJBU-UHFFFAOYSA-N 2 2 299.415 0.315 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@@H]2CSC[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000423873117 529376019 /nfs/dbraw/zinc/37/60/19/529376019.db2.gz LAUCXLFKPPVJKO-AGIUHOORSA-N 2 2 299.440 0.218 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493117235 529384057 /nfs/dbraw/zinc/38/40/57/529384057.db2.gz KVLIYMKFQWZXCY-DHCBQETCSA-N 2 2 278.356 0.338 20 0 CCADLP C[NH+](C)Cc1ccccc1C(=O)N1CC[NH+](CCO)CC1 ZINC000433220248 282149507 /nfs/dbraw/zinc/14/95/07/282149507.db2.gz OUNWWYUTKPLRKW-UHFFFAOYSA-N 2 2 291.395 0.498 20 0 CCADLP [NH3+][C@H]1CC[C@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000097092403 349627203 /nfs/dbraw/zinc/62/72/03/349627203.db2.gz PTSVFWYCGGZTQR-STQMWFEESA-N 2 2 274.368 0.858 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)CCn1cc[nH+]c1)C1CC1 ZINC000338057677 214382007 /nfs/dbraw/zinc/38/20/07/214382007.db2.gz YCIZSMIMUPVSAI-GFCCVEGCSA-N 2 2 250.346 0.730 20 0 CCADLP COC(=O)CC[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000097635555 349645684 /nfs/dbraw/zinc/64/56/84/349645684.db2.gz LPBROGCANDYHSU-UHFFFAOYSA-N 2 2 264.329 0.470 20 0 CCADLP CN(CC[NH+]1CCCC1)C(=O)NCCn1cc[nH+]c1 ZINC000103246793 349693832 /nfs/dbraw/zinc/69/38/32/349693832.db2.gz OPNYXPALXHTAOH-UHFFFAOYSA-N 2 2 265.361 0.620 20 0 CCADLP CCc1cc(N2CC[N@H+](CCO)C[C@H]2C)nc(C)[nH+]1 ZINC000450954209 529534800 /nfs/dbraw/zinc/53/48/00/529534800.db2.gz MUBGANPSLBOBNQ-LLVKDONJSA-N 2 2 264.373 0.850 20 0 CCADLP CCc1cc(N2CC[N@@H+](CCO)C[C@H]2C)nc(C)[nH+]1 ZINC000450954209 529534801 /nfs/dbraw/zinc/53/48/01/529534801.db2.gz MUBGANPSLBOBNQ-LLVKDONJSA-N 2 2 264.373 0.850 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)N[C@@H](C)C[NH+](C)C ZINC000492920874 529560208 /nfs/dbraw/zinc/56/02/08/529560208.db2.gz KJXZRZQFQINTCC-ZADCQDASSA-N 2 2 250.346 0.983 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C)C2)C1 ZINC000104147356 349709983 /nfs/dbraw/zinc/70/99/83/349709983.db2.gz YIRAJESFZPLKNM-CHWSQXEVSA-N 2 2 253.390 0.786 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](C)C2)C1 ZINC000104147356 349709984 /nfs/dbraw/zinc/70/99/84/349709984.db2.gz YIRAJESFZPLKNM-CHWSQXEVSA-N 2 2 253.390 0.786 20 0 CCADLP CCNC(=O)CC[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000104716966 349717430 /nfs/dbraw/zinc/71/74/30/349717430.db2.gz NQUVGRGTEQBCGR-UHFFFAOYSA-N 2 2 292.383 0.738 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+]([C@@H](C)C(N)=O)CC2)c1 ZINC000104719459 349717723 /nfs/dbraw/zinc/71/77/23/349717723.db2.gz JFPAIDLWPNDOLS-JTQLQIEISA-N 2 2 264.329 0.086 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000151576543 290658845 /nfs/dbraw/zinc/65/88/45/290658845.db2.gz PXOFKCSIXJGRDY-GXTWGEPZSA-N 2 2 276.384 0.902 20 0 CCADLP Cc1noc(C)c1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000110058068 349756834 /nfs/dbraw/zinc/75/68/34/349756834.db2.gz WXVUSXQYAYWSCD-UHFFFAOYSA-N 2 2 266.345 0.155 20 0 CCADLP NC(=O)c1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000112839419 349794198 /nfs/dbraw/zinc/79/41/98/349794198.db2.gz VNXUHFKTYFGZRX-CABCVRRESA-N 2 2 289.379 0.738 20 0 CCADLP NC(=O)c1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000112839419 349794199 /nfs/dbraw/zinc/79/41/99/349794199.db2.gz VNXUHFKTYFGZRX-CABCVRRESA-N 2 2 289.379 0.738 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3cc(O)ccc3Cl)CCN2C1=O ZINC000600710694 362041949 /nfs/dbraw/zinc/04/19/49/362041949.db2.gz QIWPYXMSWPRKTK-MFKMUULPSA-N 2 2 295.770 0.789 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3cc(O)ccc3Cl)CCN2C1=O ZINC000600710694 362041953 /nfs/dbraw/zinc/04/19/53/362041953.db2.gz QIWPYXMSWPRKTK-MFKMUULPSA-N 2 2 295.770 0.789 20 0 CCADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C[N@H+](C)C1CCC1 ZINC000600820618 362070746 /nfs/dbraw/zinc/07/07/46/362070746.db2.gz QNUJQAPMQFHSBB-LBPRGKRZSA-N 2 2 294.355 0.094 20 0 CCADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C[N@@H+](C)C1CCC1 ZINC000600820618 362070751 /nfs/dbraw/zinc/07/07/51/362070751.db2.gz QNUJQAPMQFHSBB-LBPRGKRZSA-N 2 2 294.355 0.094 20 0 CCADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C[N@H+](C)C1CCC1 ZINC000600820618 362070754 /nfs/dbraw/zinc/07/07/54/362070754.db2.gz QNUJQAPMQFHSBB-LBPRGKRZSA-N 2 2 294.355 0.094 20 0 CCADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C[N@@H+](C)C1CCC1 ZINC000600820618 362070758 /nfs/dbraw/zinc/07/07/58/362070758.db2.gz QNUJQAPMQFHSBB-LBPRGKRZSA-N 2 2 294.355 0.094 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)CC1CC[NH+](C)CC1 ZINC000617728525 365739011 /nfs/dbraw/zinc/73/90/11/365739011.db2.gz VJLKMZLTJMIUMR-KGLIPLIRSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)CC1CC[NH+](C)CC1 ZINC000617728525 365739013 /nfs/dbraw/zinc/73/90/13/365739013.db2.gz VJLKMZLTJMIUMR-KGLIPLIRSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C)[NH+](C)C ZINC000617730169 365740437 /nfs/dbraw/zinc/74/04/37/365740437.db2.gz KAOVTCQLXSVDHI-MELADBBJSA-N 2 2 285.432 0.798 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C)[NH+](C)C ZINC000617730169 365740442 /nfs/dbraw/zinc/74/04/42/365740442.db2.gz KAOVTCQLXSVDHI-MELADBBJSA-N 2 2 285.432 0.798 20 0 CCADLP COC(=O)c1cc(C2CC[NH+](C[C@@H](C)[NH3+])CC2)no1 ZINC000601333061 362229232 /nfs/dbraw/zinc/22/92/32/362229232.db2.gz QLIDAAKYDWCVKQ-SECBINFHSA-N 2 2 267.329 0.988 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)CCCC[NH+](C)C)[C@@H](C)CO1 ZINC000617733846 365745701 /nfs/dbraw/zinc/74/57/01/365745701.db2.gz WRQLWVPBLUMVOI-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)CCCC[NH+](C)C)[C@@H](C)CO1 ZINC000617733846 365745704 /nfs/dbraw/zinc/74/57/04/365745704.db2.gz WRQLWVPBLUMVOI-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)CN2CC[C@H](C[NH+](C)C)C2)C[C@H](C)O1 ZINC000113513514 349814176 /nfs/dbraw/zinc/81/41/76/349814176.db2.gz AVUKILTYDLNKMY-QKPAOTATSA-N 2 2 299.459 0.340 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)CN2CC[C@H](C[NH+](C)C)C2)C[C@H](C)O1 ZINC000113513514 349814178 /nfs/dbraw/zinc/81/41/78/349814178.db2.gz AVUKILTYDLNKMY-QKPAOTATSA-N 2 2 299.459 0.340 20 0 CCADLP C[C@@H]1CN(C[C@H](O)C[N@@H+]2CC[C@H](C[NH+](C)C)C2)C[C@H](C)O1 ZINC000113513514 349814179 /nfs/dbraw/zinc/81/41/79/349814179.db2.gz AVUKILTYDLNKMY-QKPAOTATSA-N 2 2 299.459 0.340 20 0 CCADLP C[C@@H]1CN(C[C@H](O)C[N@H+]2CC[C@H](C[NH+](C)C)C2)C[C@H](C)O1 ZINC000113513514 349814180 /nfs/dbraw/zinc/81/41/80/349814180.db2.gz AVUKILTYDLNKMY-QKPAOTATSA-N 2 2 299.459 0.340 20 0 CCADLP CC[C@@](C)(CO)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617762584 365764948 /nfs/dbraw/zinc/76/49/48/365764948.db2.gz SQQTZQRXDILNSD-AWEZNQCLSA-N 2 2 273.421 0.395 20 0 CCADLP CC[C@@](C)(CO)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617762584 365764950 /nfs/dbraw/zinc/76/49/50/365764950.db2.gz SQQTZQRXDILNSD-AWEZNQCLSA-N 2 2 273.421 0.395 20 0 CCADLP Cc1nn(C)cc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617766403 365771367 /nfs/dbraw/zinc/77/13/67/365771367.db2.gz JDTUVIOLAGNOGJ-UHFFFAOYSA-N 2 2 281.404 0.342 20 0 CCADLP Cc1nn(C)cc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617766403 365771370 /nfs/dbraw/zinc/77/13/70/365771370.db2.gz JDTUVIOLAGNOGJ-UHFFFAOYSA-N 2 2 281.404 0.342 20 0 CCADLP CN(C)c1[nH+]cc(CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)n1C ZINC000425370392 529808416 /nfs/dbraw/zinc/80/84/16/529808416.db2.gz OBIAGHQNEUPUJZ-WCQYABFASA-N 2 2 263.389 0.622 20 0 CCADLP CN(C)c1[nH+]cc(CN2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)n1C ZINC000425370392 529808417 /nfs/dbraw/zinc/80/84/17/529808417.db2.gz OBIAGHQNEUPUJZ-WCQYABFASA-N 2 2 263.389 0.622 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)n1C ZINC000425391654 529810737 /nfs/dbraw/zinc/81/07/37/529810737.db2.gz ZYPQKCCDGZVUQJ-TZMCWYRMSA-N 2 2 291.399 0.633 20 0 CCADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)C=Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC000493115102 529821684 /nfs/dbraw/zinc/82/16/84/529821684.db2.gz IEIRWNFKCKOMFG-YBLMTZRHSA-N 2 2 260.341 0.976 20 0 CCADLP C[N@H+]1C[C@@H]2CCCN(C(=O)C=Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC000493115102 529821686 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296.415 0.267 20 0 CCADLP C[C@@H](NC(=O)NC[C@@H]1C[NH+](C)CCO1)C1=CC[N@H+](C)CC1 ZINC000332870216 137081806 /nfs/dbraw/zinc/08/18/06/137081806.db2.gz GHVNEZLJKKZOEQ-TZMCWYRMSA-N 2 2 296.415 0.267 20 0 CCADLP C[C@@H](NC(=O)NC[C@@H]1C[NH+](C)CCO1)C1=CC[N@@H+](C)CC1 ZINC000332870216 137081807 /nfs/dbraw/zinc/08/18/07/137081807.db2.gz GHVNEZLJKKZOEQ-TZMCWYRMSA-N 2 2 296.415 0.267 20 0 CCADLP COc1ccc(NC(=O)CC[N@H+](CC[NH3+])CCO)cc1 ZINC000342423379 137093629 /nfs/dbraw/zinc/09/36/29/137093629.db2.gz PLJCIVFYOKLPIB-UHFFFAOYSA-N 2 2 281.356 0.277 20 0 CCADLP COc1ccc(NC(=O)CC[N@@H+](CC[NH3+])CCO)cc1 ZINC000342423379 137093630 /nfs/dbraw/zinc/09/36/30/137093630.db2.gz PLJCIVFYOKLPIB-UHFFFAOYSA-N 2 2 281.356 0.277 20 0 CCADLP C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000263243191 137061229 /nfs/dbraw/zinc/06/12/29/137061229.db2.gz OYLVCMZWRQKION-GXTWGEPZSA-N 2 2 269.389 0.342 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000343482315 137137776 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0.164 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000343381446 137131799 /nfs/dbraw/zinc/13/17/99/137131799.db2.gz ZQAGKQZHIONVTN-BNOWGMLFSA-N 2 2 281.400 0.164 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCN1CCCCC1=O ZINC000344270755 137186732 /nfs/dbraw/zinc/18/67/32/137186732.db2.gz FKNCBSRXGCJYLX-STQMWFEESA-N 2 2 253.390 0.929 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCN1CCCCC1=O ZINC000344270755 137186733 /nfs/dbraw/zinc/18/67/33/137186733.db2.gz FKNCBSRXGCJYLX-STQMWFEESA-N 2 2 253.390 0.929 20 0 CCADLP [NH3+]CCC[NH+]1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000019688224 348067373 /nfs/dbraw/zinc/06/73/73/348067373.db2.gz CWQDQSBMTNIJMZ-UHFFFAOYSA-N 2 2 294.374 0.731 20 0 CCADLP [NH3+]CCN1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000019688106 348067411 /nfs/dbraw/zinc/06/74/11/348067411.db2.gz MDTFGSHRXXFAHJ-UHFFFAOYSA-N 2 2 262.357 0.201 20 0 CCADLP CCC(=O)N1CC[C@H]([NH2+][C@H]2C[N@H+](CC)C[C@@H]2C)C1 ZINC000344768786 137212417 /nfs/dbraw/zinc/21/24/17/137212417.db2.gz FORZPKZYYIFHQA-AVGNSLFASA-N 2 2 253.390 0.927 20 0 CCADLP CCC(=O)N1CC[C@H]([NH2+][C@H]2C[N@@H+](CC)C[C@@H]2C)C1 ZINC000344768786 137212418 /nfs/dbraw/zinc/21/24/18/137212418.db2.gz FORZPKZYYIFHQA-AVGNSLFASA-N 2 2 253.390 0.927 20 0 CCADLP [NH3+]C1CC[NH+](CC(=O)NCCc2ccc(F)cc2)CC1 ZINC000036754258 348170317 /nfs/dbraw/zinc/17/03/17/348170317.db2.gz FOFTZNOUOAYYDG-UHFFFAOYSA-N 2 2 279.359 0.908 20 0 CCADLP O=C(C[NH2+]C1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000037390279 348187701 /nfs/dbraw/zinc/18/77/01/348187701.db2.gz NPSSMEVWGYHOPK-UHFFFAOYSA-N 2 2 260.341 0.482 20 0 CCADLP O=C(C[NH2+]CC1CC1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000037802806 348206346 /nfs/dbraw/zinc/20/63/46/348206346.db2.gz WBTDSTWLEWLGJK-UHFFFAOYSA-N 2 2 288.395 0.725 20 0 CCADLP [NH3+]CCC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000037801999 348206689 /nfs/dbraw/zinc/20/66/89/348206689.db2.gz TYPTVNQOOYTUAC-UHFFFAOYSA-N 2 2 253.371 0.741 20 0 CCADLP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000040630404 348239680 /nfs/dbraw/zinc/23/96/80/348239680.db2.gz QGWDFGMMQMRNRE-QWHCGFSZSA-N 2 2 290.367 0.107 20 0 CCADLP Cn1cc[nH+]c1[C@@H](NC(=O)CC[NH3+])c1ccccc1 ZINC000040855852 348245190 /nfs/dbraw/zinc/24/51/90/348245190.db2.gz NJXFHBUIJXRRLE-ZDUSSCGKSA-N 2 2 258.325 0.975 20 0 CCADLP COC(=O)CCC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602878119 362859188 /nfs/dbraw/zinc/85/91/88/362859188.db2.gz VUOQTCLQCOQLFL-ZDUSSCGKSA-N 2 2 258.362 0.328 20 0 CCADLP COC(=O)CCC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602878119 362859191 /nfs/dbraw/zinc/85/91/91/362859191.db2.gz VUOQTCLQCOQLFL-ZDUSSCGKSA-N 2 2 258.362 0.328 20 0 CCADLP [NH3+][C@@H](CC(F)F)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000345704601 137247030 /nfs/dbraw/zinc/24/70/30/137247030.db2.gz FCRSUTHQIPOTQF-QWRGUYRKSA-N 2 2 291.342 0.292 20 0 CCADLP C[C@H]1CCC[N@H+](CCNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000042950666 348301935 /nfs/dbraw/zinc/30/19/35/348301935.db2.gz OWNBNCCBZHNHCC-AWEZNQCLSA-N 2 2 298.431 0.350 20 0 CCADLP C[C@H]1CCC[N@@H+](CCNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000042950666 348301939 /nfs/dbraw/zinc/30/19/39/348301939.db2.gz OWNBNCCBZHNHCC-AWEZNQCLSA-N 2 2 298.431 0.350 20 0 CCADLP Cc1cc(N2CC[NH+](CC(=O)NC(C)C)CC2)nc(C)[nH+]1 ZINC000043533261 348310894 /nfs/dbraw/zinc/31/08/94/348310894.db2.gz DCSMPSCERXPTPU-UHFFFAOYSA-N 2 2 291.399 0.740 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(C(=O)N(C)C)[nH]2)C1 ZINC000346691992 137299373 /nfs/dbraw/zinc/29/93/73/137299373.db2.gz XHISCKKFRSPYLE-QWRGUYRKSA-N 2 2 264.373 0.886 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(C(=O)N(C)C)[nH]2)C1 ZINC000346691992 137299374 /nfs/dbraw/zinc/29/93/74/137299374.db2.gz XHISCKKFRSPYLE-QWRGUYRKSA-N 2 2 264.373 0.886 20 0 CCADLP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000346106133 137267838 /nfs/dbraw/zinc/26/78/38/137267838.db2.gz XNPLQSRJHULRNV-LBPRGKRZSA-N 2 2 290.367 0.537 20 0 CCADLP NC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000346106133 137267839 /nfs/dbraw/zinc/26/78/39/137267839.db2.gz XNPLQSRJHULRNV-LBPRGKRZSA-N 2 2 290.367 0.537 20 0 CCADLP CN(C(=O)CCn1cc[nH+]c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000347001871 137315435 /nfs/dbraw/zinc/31/54/35/137315435.db2.gz BCWGINOFIZIKRG-ZDUSSCGKSA-N 2 2 262.357 0.968 20 0 CCADLP CN(C(=O)CCn1cc[nH+]c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000347001871 137315436 /nfs/dbraw/zinc/31/54/36/137315436.db2.gz BCWGINOFIZIKRG-ZDUSSCGKSA-N 2 2 262.357 0.968 20 0 CCADLP CO[C@H]1C[NH2+][C@@H](C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000045109194 348334556 /nfs/dbraw/zinc/33/45/56/348334556.db2.gz MLTQPQFTNONFGN-VXGBXAGGSA-N 2 2 266.345 0.156 20 0 CCADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cn(Cc4cccnc4)nn3)C[C@@H]12 ZINC000346842222 137307812 /nfs/dbraw/zinc/30/78/12/137307812.db2.gz HSMKQMSHIVWWCF-NUEKZKHPSA-N 2 2 298.394 0.891 20 0 CCADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cn(Cc4cccnc4)nn3)C[C@@H]12 ZINC000346842222 137307813 /nfs/dbraw/zinc/30/78/13/137307813.db2.gz HSMKQMSHIVWWCF-NUEKZKHPSA-N 2 2 298.394 0.891 20 0 CCADLP Cc1ccc2[nH+]c(CN3CC[NH+](CCO)CC3)cn2c1 ZINC000048581534 348417095 /nfs/dbraw/zinc/41/70/95/348417095.db2.gz JTQNPZFZOTYSQZ-UHFFFAOYSA-N 2 2 274.368 0.753 20 0 CCADLP Cn1cc[nH+]c1[C@@H](NC(=O)C[NH3+])c1cccc(F)c1 ZINC000347637168 137347016 /nfs/dbraw/zinc/34/70/16/137347016.db2.gz RXKWALQBCBWWNY-LBPRGKRZSA-N 2 2 262.288 0.724 20 0 CCADLP CCC[C@H](C(=O)NCC[N@@H+]1CCO[C@H](CC)C1)[NH+](C)C ZINC000347646742 137347904 /nfs/dbraw/zinc/34/79/04/137347904.db2.gz DWFKZPNHAXRTQP-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP CCC[C@H](C(=O)NCC[N@H+]1CCO[C@H](CC)C1)[NH+](C)C ZINC000347646742 137347905 /nfs/dbraw/zinc/34/79/05/137347905.db2.gz DWFKZPNHAXRTQP-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP CN(CCC[NH+]1CCCC1)C(=O)[C@@H]1COCC[N@@H+]1C ZINC000347941020 137365194 /nfs/dbraw/zinc/36/51/94/137365194.db2.gz FRAZKYPTPTTYRB-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP CN(CCC[NH+]1CCCC1)C(=O)[C@@H]1COCC[N@H+]1C ZINC000347941020 137365195 /nfs/dbraw/zinc/36/51/95/137365195.db2.gz FRAZKYPTPTTYRB-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@]2(C)CCOC2)CC1 ZINC000347991269 137367623 /nfs/dbraw/zinc/36/76/23/137367623.db2.gz GNSCRNMPHDPVJG-HNNXBMFYSA-N 2 2 283.416 0.555 20 0 CCADLP COC1CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C1 ZINC000348788359 137376845 /nfs/dbraw/zinc/37/68/45/137376845.db2.gz ZSMNCKNPYWPHQI-QRFUTXMCSA-N 2 2 295.427 0.837 20 0 CCADLP COC1CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C1 ZINC000348788359 137376846 /nfs/dbraw/zinc/37/68/46/137376846.db2.gz ZSMNCKNPYWPHQI-QRFUTXMCSA-N 2 2 295.427 0.837 20 0 CCADLP C[C@H](O)[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)CCO1 ZINC000412068314 233022510 /nfs/dbraw/zinc/02/25/10/233022510.db2.gz IHDZXWCWMQKKFA-IHRRRGAJSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@H](O)[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)CCO1 ZINC000412068314 233022515 /nfs/dbraw/zinc/02/25/15/233022515.db2.gz IHDZXWCWMQKKFA-IHRRRGAJSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@H](O)[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC000412068314 233022521 /nfs/dbraw/zinc/02/25/21/233022521.db2.gz IHDZXWCWMQKKFA-IHRRRGAJSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@H](O)[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)CCO1 ZINC000412068314 233022532 /nfs/dbraw/zinc/02/25/32/233022532.db2.gz IHDZXWCWMQKKFA-IHRRRGAJSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@@]1(C(=O)NCCCCn2cc[nH+]c2)CC[NH2+]C1 ZINC000062902843 348672968 /nfs/dbraw/zinc/67/29/68/348672968.db2.gz DAKNGTMCPWJXGV-CYBMUJFWSA-N 2 2 250.346 0.779 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCn1nc2ccccn2c1=O ZINC000063195104 348682261 /nfs/dbraw/zinc/68/22/61/348682261.db2.gz QPQNSHDBMUDJNL-OLZOCXBDSA-N 2 2 289.383 0.698 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCn1nc2ccccn2c1=O ZINC000063195104 348682263 /nfs/dbraw/zinc/68/22/63/348682263.db2.gz QPQNSHDBMUDJNL-OLZOCXBDSA-N 2 2 289.383 0.698 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCCCNC2=O)n1C ZINC000070143189 348873389 /nfs/dbraw/zinc/87/33/89/348873389.db2.gz FIEWJVJTHSDGKK-LLVKDONJSA-N 2 2 265.361 0.244 20 0 CCADLP C[C@H]([NH3+])CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000070314806 348884549 /nfs/dbraw/zinc/88/45/49/348884549.db2.gz FTHGGJQMGMDAAK-LBPRGKRZSA-N 2 2 262.357 0.858 20 0 CCADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NC(=O)NCC(C)C)C1 ZINC000072857787 348935897 /nfs/dbraw/zinc/93/58/97/348935897.db2.gz QIWMWQPXVBEEAM-ZDUSSCGKSA-N 2 2 298.431 0.742 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NC(=O)NCC(C)C)C1 ZINC000072857787 348935900 /nfs/dbraw/zinc/93/59/00/348935900.db2.gz QIWMWQPXVBEEAM-ZDUSSCGKSA-N 2 2 298.431 0.742 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC(=O)NCC(C)C)C1 ZINC000072857787 348935903 /nfs/dbraw/zinc/93/59/03/348935903.db2.gz QIWMWQPXVBEEAM-ZDUSSCGKSA-N 2 2 298.431 0.742 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NCC(C)C)C1 ZINC000072857787 348935904 /nfs/dbraw/zinc/93/59/04/348935904.db2.gz QIWMWQPXVBEEAM-ZDUSSCGKSA-N 2 2 298.431 0.742 20 0 CCADLP COC[C@@H](O)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000071269412 348906661 /nfs/dbraw/zinc/90/66/61/348906661.db2.gz BSRNSJCSMUNPIS-ZDUSSCGKSA-N 2 2 265.357 0.647 20 0 CCADLP C[NH+](C)CCn1ccc(NC(=O)NCc2[nH]cc[nH+]2)n1 ZINC000120721807 350002059 /nfs/dbraw/zinc/00/20/59/350002059.db2.gz LDDZSMHHRZZROK-UHFFFAOYSA-N 2 2 277.332 0.490 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000076002970 349061920 /nfs/dbraw/zinc/06/19/20/349061920.db2.gz BNOYLEVPYSYMDA-LBPRGKRZSA-N 2 2 296.415 0.638 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000076002970 349061922 /nfs/dbraw/zinc/06/19/22/349061922.db2.gz BNOYLEVPYSYMDA-LBPRGKRZSA-N 2 2 296.415 0.638 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC000076002110 349062037 /nfs/dbraw/zinc/06/20/37/349062037.db2.gz UBAIFYYZWQVNCG-LBPRGKRZSA-N 2 2 277.434 0.199 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000076002110 349062043 /nfs/dbraw/zinc/06/20/43/349062043.db2.gz UBAIFYYZWQVNCG-LBPRGKRZSA-N 2 2 277.434 0.199 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)Nc1cc(-n2cc[nH+]c2)ncn1 ZINC000077488811 349111204 /nfs/dbraw/zinc/11/12/04/349111204.db2.gz PZKBAGYDTDZQLG-GFCCVEGCSA-N 2 2 288.355 0.795 20 0 CCADLP O=C(NCCCCn1cc[nH+]c1)NCC[NH+]1CCOCC1 ZINC000079771859 349190270 /nfs/dbraw/zinc/19/02/70/349190270.db2.gz GHELYMIEIIPDHO-UHFFFAOYSA-N 2 2 295.387 0.295 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000081007826 349238871 /nfs/dbraw/zinc/23/88/71/349238871.db2.gz WKDFYHRNMLKAND-OLZOCXBDSA-N 2 2 269.389 0.356 20 0 CCADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccnn1C ZINC000080203710 349203726 /nfs/dbraw/zinc/20/37/26/349203726.db2.gz FDZSKPVUXUKQMF-LBPRGKRZSA-N 2 2 252.362 0.621 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)Nc1cc[nH+]c(N(C)C)n1 ZINC000085431414 349333879 /nfs/dbraw/zinc/33/38/79/349333879.db2.gz AXUXUWRXPVCLJI-NSHDSACASA-N 2 2 265.361 0.675 20 0 CCADLP CC(C)[C@H]([NH2+]Cc1c[nH+]c[nH]1)C(=O)N1CCOCC1 ZINC000084053814 349313254 /nfs/dbraw/zinc/31/32/54/349313254.db2.gz VZSGSNQLJUGADC-LBPRGKRZSA-N 2 2 266.345 0.383 20 0 CCADLP C[N@@H+]1CCN(C(=O)c2ccc3c(c2)CCC3)[C@@H](C[NH3+])C1 ZINC000120778584 350005074 /nfs/dbraw/zinc/00/50/74/350005074.db2.gz NUKGIOWBIYPGGQ-HNNXBMFYSA-N 2 2 273.380 0.890 20 0 CCADLP C[N@H+]1CCN(C(=O)c2ccc3c(c2)CCC3)[C@@H](C[NH3+])C1 ZINC000120778584 350005079 /nfs/dbraw/zinc/00/50/79/350005079.db2.gz NUKGIOWBIYPGGQ-HNNXBMFYSA-N 2 2 273.380 0.890 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000123662044 350079935 /nfs/dbraw/zinc/07/99/35/350079935.db2.gz SXOLNYIHAOINGG-JTQLQIEISA-N 2 2 258.366 0.137 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000123662044 350079937 /nfs/dbraw/zinc/07/99/37/350079937.db2.gz SXOLNYIHAOINGG-JTQLQIEISA-N 2 2 258.366 0.137 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]C(C)(C)c2nccs2)CC1 ZINC000121326078 350033889 /nfs/dbraw/zinc/03/38/89/350033889.db2.gz UKBBVVIOJZKQAB-UHFFFAOYSA-N 2 2 282.413 0.742 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000122611847 350066348 /nfs/dbraw/zinc/06/63/48/350066348.db2.gz RKYJJHIVVGVRQU-CYBMUJFWSA-N 2 2 265.332 0.470 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000122611847 350066349 /nfs/dbraw/zinc/06/63/49/350066349.db2.gz RKYJJHIVVGVRQU-CYBMUJFWSA-N 2 2 265.332 0.470 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000122793878 350069289 /nfs/dbraw/zinc/06/92/89/350069289.db2.gz PMQZJANLPBFFTE-GHMZBOCLSA-N 2 2 270.377 0.281 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000122793878 350069290 /nfs/dbraw/zinc/06/92/90/350069290.db2.gz PMQZJANLPBFFTE-GHMZBOCLSA-N 2 2 270.377 0.281 20 0 CCADLP C[N@@H+]1CCN(C(=O)/C=C/c2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000124334192 350095417 /nfs/dbraw/zinc/09/54/17/350095417.db2.gz QLOUQVALYLQVRO-BTKRWWFXSA-N 2 2 277.343 0.940 20 0 CCADLP C[N@H+]1CCN(C(=O)/C=C/c2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000124334192 350095422 /nfs/dbraw/zinc/09/54/22/350095422.db2.gz QLOUQVALYLQVRO-BTKRWWFXSA-N 2 2 277.343 0.940 20 0 CCADLP Cc1noc(CN2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000125139068 350115194 /nfs/dbraw/zinc/11/51/94/350115194.db2.gz KDHCEDINNQGYMK-CQSZACIVSA-N 2 2 293.415 0.980 20 0 CCADLP Cc1noc(CN2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000125139068 350115198 /nfs/dbraw/zinc/11/51/98/350115198.db2.gz KDHCEDINNQGYMK-CQSZACIVSA-N 2 2 293.415 0.980 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCn1nc2ccccn2c1=O ZINC000129076126 350204376 /nfs/dbraw/zinc/20/43/76/350204376.db2.gz VYVKPZTWANAMKR-VXGBXAGGSA-N 2 2 275.356 0.308 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCn1nc2ccccn2c1=O ZINC000129076126 350204379 /nfs/dbraw/zinc/20/43/79/350204379.db2.gz VYVKPZTWANAMKR-VXGBXAGGSA-N 2 2 275.356 0.308 20 0 CCADLP CC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000130388212 350236797 /nfs/dbraw/zinc/23/67/97/350236797.db2.gz BZEHBWAVYHFWGU-LLVKDONJSA-N 2 2 267.398 0.960 20 0 CCADLP CC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000130388212 350236799 /nfs/dbraw/zinc/23/67/99/350236799.db2.gz BZEHBWAVYHFWGU-LLVKDONJSA-N 2 2 267.398 0.960 20 0 CCADLP CC[N@H+](CC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)C1CC1 ZINC000130643806 350243518 /nfs/dbraw/zinc/24/35/18/350243518.db2.gz YVEDWOBHQOTFSO-HNNXBMFYSA-N 2 2 297.443 0.944 20 0 CCADLP CC[N@@H+](CC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)C1CC1 ZINC000130643806 350243520 /nfs/dbraw/zinc/24/35/20/350243520.db2.gz YVEDWOBHQOTFSO-HNNXBMFYSA-N 2 2 297.443 0.944 20 0 CCADLP O=C1CNC(=O)N1CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131662002 350282297 /nfs/dbraw/zinc/28/22/97/350282297.db2.gz KTPRHKKKOSNZEN-GFCCVEGCSA-N 2 2 290.323 0.087 20 0 CCADLP O=C1CNC(=O)N1CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131662002 350282300 /nfs/dbraw/zinc/28/23/00/350282300.db2.gz KTPRHKKKOSNZEN-GFCCVEGCSA-N 2 2 290.323 0.087 20 0 CCADLP CSCC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000131143911 350263538 /nfs/dbraw/zinc/26/35/38/350263538.db2.gz CQSSTVMLGLNIPD-LBPRGKRZSA-N 2 2 271.430 0.764 20 0 CCADLP CSCC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000131143911 350263545 /nfs/dbraw/zinc/26/35/45/350263545.db2.gz CQSSTVMLGLNIPD-LBPRGKRZSA-N 2 2 271.430 0.764 20 0 CCADLP CCOC(=O)CC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000131254411 350269937 /nfs/dbraw/zinc/26/99/37/350269937.db2.gz WNNZRTPGAUKBJH-ZDUSSCGKSA-N 2 2 297.399 0.354 20 0 CCADLP CCOC(=O)CC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000131254411 350269942 /nfs/dbraw/zinc/26/99/42/350269942.db2.gz WNNZRTPGAUKBJH-ZDUSSCGKSA-N 2 2 297.399 0.354 20 0 CCADLP CC[N@H+](C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000132430334 350308016 /nfs/dbraw/zinc/30/80/16/350308016.db2.gz NCVIJTQTEVTRTQ-NSHDSACASA-N 2 2 250.346 0.513 20 0 CCADLP CC[N@@H+](C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000132430334 350308019 /nfs/dbraw/zinc/30/80/19/350308019.db2.gz NCVIJTQTEVTRTQ-NSHDSACASA-N 2 2 250.346 0.513 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)NC[C@@H]1CCCO1 ZINC000133515488 350338746 /nfs/dbraw/zinc/33/87/46/350338746.db2.gz OYDAJFXJHDDEHH-QWHCGFSZSA-N 2 2 271.405 0.587 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)NC[C@@H]1CCCO1 ZINC000133515488 350338747 /nfs/dbraw/zinc/33/87/47/350338747.db2.gz OYDAJFXJHDDEHH-QWHCGFSZSA-N 2 2 271.405 0.587 20 0 CCADLP [NH3+]CCc1ccccc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000139600885 350447901 /nfs/dbraw/zinc/44/79/01/350447901.db2.gz XJNZLAAVMALNOT-UHFFFAOYSA-N 2 2 258.325 0.883 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)N(C)C3CC3)C2)CC1 ZINC000107370407 186172144 /nfs/dbraw/zinc/17/21/44/186172144.db2.gz KZRZSZOPHQPVRF-HNNXBMFYSA-N 2 2 294.443 0.319 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N(C)C3CC3)C2)CC1 ZINC000107370407 186172146 /nfs/dbraw/zinc/17/21/46/186172146.db2.gz KZRZSZOPHQPVRF-HNNXBMFYSA-N 2 2 294.443 0.319 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CC2(O)CCCC2)CC1 ZINC000152012600 350516027 /nfs/dbraw/zinc/51/60/27/350516027.db2.gz OLLJAWZNLQGLFW-CQSZACIVSA-N 2 2 297.443 0.776 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CC2(O)CCCC2)CC1 ZINC000152012600 350516032 /nfs/dbraw/zinc/51/60/32/350516032.db2.gz OLLJAWZNLQGLFW-CQSZACIVSA-N 2 2 297.443 0.776 20 0 CCADLP CC[N@H+](CC(=O)N[C@H](C)C[NH+]1CCOCC1)C1CC1 ZINC000151458271 350502621 /nfs/dbraw/zinc/50/26/21/350502621.db2.gz RWGCRNDCPAVBNW-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP CC[N@@H+](CC(=O)N[C@H](C)C[NH+]1CCOCC1)C1CC1 ZINC000151458271 350502627 /nfs/dbraw/zinc/50/26/27/350502627.db2.gz RWGCRNDCPAVBNW-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107578850 186181162 /nfs/dbraw/zinc/18/11/62/186181162.db2.gz HWKIYVBTLCDVDU-UPJWGTAASA-N 2 2 251.374 0.539 20 0 CCADLP C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107578850 186181164 /nfs/dbraw/zinc/18/11/64/186181164.db2.gz HWKIYVBTLCDVDU-UPJWGTAASA-N 2 2 251.374 0.539 20 0 CCADLP CCc1ccc(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000162507709 350744833 /nfs/dbraw/zinc/74/48/33/350744833.db2.gz PZJSFHFRJAGCPZ-OAHLLOKOSA-N 2 2 275.396 0.893 20 0 CCADLP CCc1ccc(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000162507709 350744837 /nfs/dbraw/zinc/74/48/37/350744837.db2.gz PZJSFHFRJAGCPZ-OAHLLOKOSA-N 2 2 275.396 0.893 20 0 CCADLP CCN(CC)c1ccc(CNC(=O)[C@H](C)[NH3+])c[nH+]1 ZINC000164666240 350782023 /nfs/dbraw/zinc/78/20/23/350782023.db2.gz PDHXMCDKBWQJCT-JTQLQIEISA-N 2 2 250.346 0.891 20 0 CCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)[C@H]1CC[NH2+]C1 ZINC000165265871 350789091 /nfs/dbraw/zinc/78/90/91/350789091.db2.gz ARBOPYDBVAAFCP-NSHDSACASA-N 2 2 262.357 0.488 20 0 CCADLP C[NH+]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000165819518 350793576 /nfs/dbraw/zinc/79/35/76/350793576.db2.gz KYBRCZITXBXSBM-UHFFFAOYSA-N 2 2 262.357 0.536 20 0 CCADLP CC(C)[C@@H](CNC(=O)C[NH+](C)C)[NH+]1CCOCC1 ZINC000170750737 350856814 /nfs/dbraw/zinc/85/68/14/350856814.db2.gz CBUNCHDDQALOBZ-GFCCVEGCSA-N 2 2 257.378 0.021 20 0 CCADLP C[NH+](C)CC(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000170766078 350859021 /nfs/dbraw/zinc/85/90/21/350859021.db2.gz XJMLQZUMMDUCTE-UHFFFAOYSA-N 2 2 290.411 0.934 20 0 CCADLP CN1CC[NH+](Cc2cccc(NC(=O)C[NH+](C)C)c2)CC1 ZINC000170766078 350859022 /nfs/dbraw/zinc/85/90/22/350859022.db2.gz XJMLQZUMMDUCTE-UHFFFAOYSA-N 2 2 290.411 0.934 20 0 CCADLP CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000171529479 350914097 /nfs/dbraw/zinc/91/40/97/350914097.db2.gz QWDCNZSPATWFOE-CABCVRRESA-N 2 2 296.459 0.613 20 0 CCADLP CC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000171529479 350914099 /nfs/dbraw/zinc/91/40/99/350914099.db2.gz QWDCNZSPATWFOE-CABCVRRESA-N 2 2 296.459 0.613 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC000177123181 351194288 /nfs/dbraw/zinc/19/42/88/351194288.db2.gz RMFQJVBBRGVXQR-KFWWJZLASA-N 2 2 295.427 0.696 20 0 CCADLP C[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1(C)CC1 ZINC000181028430 351299384 /nfs/dbraw/zinc/29/93/84/351299384.db2.gz NXZSZUFXJNVDDP-KBPBESRZSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H](C(=O)N[C@@H](C)CC[NH+](C)C)[NH+]1CCOCC1 ZINC000339815738 215348482 /nfs/dbraw/zinc/34/84/82/215348482.db2.gz WGJFSVDBENQZLI-NWDGAFQWSA-N 2 2 257.378 0.164 20 0 CCADLP C[NH+]1CCC(NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000186979238 351524219 /nfs/dbraw/zinc/52/42/19/351524219.db2.gz GFWHRKIPELZUII-OAHLLOKOSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC(NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC1 ZINC000186979238 351524225 /nfs/dbraw/zinc/52/42/25/351524225.db2.gz GFWHRKIPELZUII-OAHLLOKOSA-N 2 2 295.427 0.698 20 0 CCADLP CC(C)(CNC(=O)c1c[nH+]ccc1N)[NH+]1CCOCC1 ZINC000188029313 351569082 /nfs/dbraw/zinc/56/90/82/351569082.db2.gz PQWJWVHVGSHMKW-UHFFFAOYSA-N 2 2 278.356 0.504 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)c2c[nH+]ccc2N)C[C@@H]1C ZINC000188187752 351578928 /nfs/dbraw/zinc/57/89/28/351578928.db2.gz JNKZLPHXKJIJMM-NSHDSACASA-N 2 2 278.356 0.457 20 0 CCADLP COCC[N@H+]1CCN(C(=O)c2c[nH+]ccc2N)C[C@@H]1C ZINC000188187752 351578931 /nfs/dbraw/zinc/57/89/31/351578931.db2.gz JNKZLPHXKJIJMM-NSHDSACASA-N 2 2 278.356 0.457 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)NCC[N@@H+]1CCCOCC1 ZINC000187815962 351557581 /nfs/dbraw/zinc/55/75/81/351557581.db2.gz USZMDLFMCOZMJX-UHFFFAOYSA-N 2 2 295.387 0.295 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)NCC[N@H+]1CCCOCC1 ZINC000187815962 351557583 /nfs/dbraw/zinc/55/75/83/351557583.db2.gz USZMDLFMCOZMJX-UHFFFAOYSA-N 2 2 295.387 0.295 20 0 CCADLP CSC[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000187871380 351560321 /nfs/dbraw/zinc/56/03/21/351560321.db2.gz GHSUWCXCTDWYCJ-ZIAGYGMSSA-N 2 2 288.457 0.755 20 0 CCADLP CSC[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000187871380 351560330 /nfs/dbraw/zinc/56/03/30/351560330.db2.gz GHSUWCXCTDWYCJ-ZIAGYGMSSA-N 2 2 288.457 0.755 20 0 CCADLP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000188844420 351633289 /nfs/dbraw/zinc/63/32/89/351633289.db2.gz FXEKQIFOPMNXHY-UONOGXRCSA-N 2 2 292.358 0.426 20 0 CCADLP C[NH+]1CCC(CNC(=O)C(C)(C)O)([NH+]2CCCCC2)CC1 ZINC000191828494 351774384 /nfs/dbraw/zinc/77/43/84/351774384.db2.gz KFZBBNSBUMQIBQ-UHFFFAOYSA-N 2 2 297.443 0.824 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000227458094 352051232 /nfs/dbraw/zinc/05/12/32/352051232.db2.gz SARHEWVUUZMBOJ-JHJVBQTASA-N 2 2 269.389 0.211 20 0 CCADLP CCC[NH+]1CCC([NH2+]CCS(=O)(=O)N(C)C)CC1 ZINC000230992861 352124074 /nfs/dbraw/zinc/12/40/74/352124074.db2.gz YRURPRNDOSJNKC-UHFFFAOYSA-N 2 2 277.434 0.342 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000232113781 352139605 /nfs/dbraw/zinc/13/96/05/352139605.db2.gz MUCBYGPBAAGBGF-NSHDSACASA-N 2 2 275.312 0.570 20 0 CCADLP Cc1cc(N2CCN(C(=O)CC[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000236835712 352221214 /nfs/dbraw/zinc/22/12/14/352221214.db2.gz MZCKSQRUHFFMDT-UHFFFAOYSA-N 2 2 291.399 0.906 20 0 CCADLP CCC[C@@H]([NH3+])C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000236933613 352228725 /nfs/dbraw/zinc/22/87/25/352228725.db2.gz JTIKRYIAIHZZRU-SECBINFHSA-N 2 2 283.376 0.610 20 0 CCADLP CCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000236938503 352229519 /nfs/dbraw/zinc/22/95/19/352229519.db2.gz GROYMUNBEOXAGA-AWEZNQCLSA-N 2 2 272.352 0.937 20 0 CCADLP O=C(NC[C@H]1CCCC[NH2+]1)[C@H]1CCc2[nH+]ccn2C1 ZINC000655415598 412562987 /nfs/dbraw/zinc/56/29/87/412562987.db2.gz XPILRAAOBPZIQG-NWDGAFQWSA-N 2 2 262.357 0.704 20 0 CCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000237500021 352269243 /nfs/dbraw/zinc/26/92/43/352269243.db2.gz SLEYPWBDUPMJBB-DZGCQCFKSA-N 2 2 282.432 0.128 20 0 CCADLP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1[nH+]ccn1C ZINC000418120648 234010830 /nfs/dbraw/zinc/01/08/30/234010830.db2.gz WCYYLAQWSZYTPD-RYUDHWBXSA-N 2 2 252.362 0.307 20 0 CCADLP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1[nH+]ccn1C ZINC000418120648 234010836 /nfs/dbraw/zinc/01/08/36/234010836.db2.gz WCYYLAQWSZYTPD-RYUDHWBXSA-N 2 2 252.362 0.307 20 0 CCADLP COCCN(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604207419 363182792 /nfs/dbraw/zinc/18/27/92/363182792.db2.gz DKGBSBHTBOWTDX-ZDUSSCGKSA-N 2 2 298.431 0.443 20 0 CCADLP COCCN(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604207419 363182798 /nfs/dbraw/zinc/18/27/98/363182798.db2.gz DKGBSBHTBOWTDX-ZDUSSCGKSA-N 2 2 298.431 0.443 20 0 CCADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NCCCOC)C1 ZINC000245458025 352324024 /nfs/dbraw/zinc/32/40/24/352324024.db2.gz UPIKAQSKMZHHQM-KGLIPLIRSA-N 2 2 285.432 0.801 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NCCCOC)C1 ZINC000245458025 352324027 /nfs/dbraw/zinc/32/40/27/352324027.db2.gz UPIKAQSKMZHHQM-KGLIPLIRSA-N 2 2 285.432 0.801 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NCCCOC)C1 ZINC000245458025 352324030 /nfs/dbraw/zinc/32/40/30/352324030.db2.gz UPIKAQSKMZHHQM-KGLIPLIRSA-N 2 2 285.432 0.801 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)NCCCOC)C1 ZINC000245458025 352324032 /nfs/dbraw/zinc/32/40/32/352324032.db2.gz UPIKAQSKMZHHQM-KGLIPLIRSA-N 2 2 285.432 0.801 20 0 CCADLP C[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@H]1C ZINC000245537078 352327262 /nfs/dbraw/zinc/32/72/62/352327262.db2.gz MAKKBMOOBCPGNR-STQMWFEESA-N 2 2 253.390 0.881 20 0 CCADLP C[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@H]1C ZINC000245537078 352327264 /nfs/dbraw/zinc/32/72/64/352327264.db2.gz MAKKBMOOBCPGNR-STQMWFEESA-N 2 2 253.390 0.881 20 0 CCADLP C[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C[C@H]1n1cc[nH+]c1 ZINC000245631812 352331515 /nfs/dbraw/zinc/33/15/15/352331515.db2.gz QJKRLEWOFYQYAD-NWDGAFQWSA-N 2 2 291.355 0.318 20 0 CCADLP C[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1n1cc[nH+]c1 ZINC000245631812 352331519 /nfs/dbraw/zinc/33/15/19/352331519.db2.gz QJKRLEWOFYQYAD-NWDGAFQWSA-N 2 2 291.355 0.318 20 0 CCADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(C)C2=O)C1 ZINC000248026563 352430198 /nfs/dbraw/zinc/43/01/98/352430198.db2.gz PFGDTZXWKAJWEE-NEPJUHHUSA-N 2 2 290.367 0.432 20 0 CCADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+]([C@H]2CC(=O)N(C)C2=O)C1 ZINC000248026563 352430202 /nfs/dbraw/zinc/43/02/02/352430202.db2.gz PFGDTZXWKAJWEE-NEPJUHHUSA-N 2 2 290.367 0.432 20 0 CCADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NC[C@H]3CCCO3)CC[C@@H]21 ZINC000248066064 352431406 /nfs/dbraw/zinc/43/14/06/352431406.db2.gz MGLNMODGNLILPC-KFWWJZLASA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NC[C@H]3CCCO3)CC[C@@H]21 ZINC000248066064 352431409 /nfs/dbraw/zinc/43/14/09/352431409.db2.gz MGLNMODGNLILPC-KFWWJZLASA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NC[C@H]3CCCO3)CC[C@@H]21 ZINC000248066064 352431411 /nfs/dbraw/zinc/43/14/11/352431411.db2.gz MGLNMODGNLILPC-KFWWJZLASA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NC[C@H]3CCCO3)CC[C@@H]21 ZINC000248066064 352431414 /nfs/dbraw/zinc/43/14/14/352431414.db2.gz MGLNMODGNLILPC-KFWWJZLASA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)C[C@H](C)O1 ZINC000247245937 352405803 /nfs/dbraw/zinc/40/58/03/352405803.db2.gz NHKISDLZGHPUCJ-MJBXVCDLSA-N 2 2 283.416 0.506 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C[NH+](C)C)C2)C[C@H](C)O1 ZINC000247245937 352405804 /nfs/dbraw/zinc/40/58/04/352405804.db2.gz NHKISDLZGHPUCJ-MJBXVCDLSA-N 2 2 283.416 0.506 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000249048300 352474273 /nfs/dbraw/zinc/47/42/73/352474273.db2.gz NYVXXLACXHWMON-IHRRRGAJSA-N 2 2 283.416 0.683 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418393200 234102363 /nfs/dbraw/zinc/10/23/63/234102363.db2.gz DUAYPPYLCJBBQR-DGCLKSJQSA-N 2 2 284.404 0.086 20 0 CCADLP NC(=O)NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250869395 352508179 /nfs/dbraw/zinc/50/81/79/352508179.db2.gz SDUGPXPAMVEXEG-GHMZBOCLSA-N 2 2 268.361 0.178 20 0 CCADLP NC(=O)NC(=O)CC[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250869395 352508181 /nfs/dbraw/zinc/50/81/81/352508181.db2.gz SDUGPXPAMVEXEG-GHMZBOCLSA-N 2 2 268.361 0.178 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)NC(=O)NC2CC2)CC[C@H]1[NH3+] ZINC000251854759 352511956 /nfs/dbraw/zinc/51/19/56/352511956.db2.gz SDWWWCXSHZCMAN-MWLCHTKSSA-N 2 2 268.361 0.034 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)NC(=O)NC2CC2)CC[C@H]1[NH3+] ZINC000251854759 352511960 /nfs/dbraw/zinc/51/19/60/352511960.db2.gz SDWWWCXSHZCMAN-MWLCHTKSSA-N 2 2 268.361 0.034 20 0 CCADLP CN(C)c1nc(N)nc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000252869155 352526556 /nfs/dbraw/zinc/52/65/56/352526556.db2.gz RUVXEQIGPCHPGL-GARJFASQSA-N 2 2 291.403 0.079 20 0 CCADLP CN(C)c1nc(N)nc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000252869155 352526558 /nfs/dbraw/zinc/52/65/58/352526558.db2.gz RUVXEQIGPCHPGL-GARJFASQSA-N 2 2 291.403 0.079 20 0 CCADLP c1nc(N2CCC[NH2+]CC2)cc(N2CCOCC2)[nH+]1 ZINC000258929303 352556637 /nfs/dbraw/zinc/55/66/37/352556637.db2.gz JPTNYKTYHZRFJB-UHFFFAOYSA-N 2 2 263.345 0.113 20 0 CCADLP CN(C)C(=O)c1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)[nH]1 ZINC000261681659 352563194 /nfs/dbraw/zinc/56/31/94/352563194.db2.gz AGWAFMDIYXOMIP-HNNXBMFYSA-N 2 2 276.384 0.902 20 0 CCADLP CN(C)C(=O)c1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)[nH]1 ZINC000261681659 352563197 /nfs/dbraw/zinc/56/31/97/352563197.db2.gz AGWAFMDIYXOMIP-HNNXBMFYSA-N 2 2 276.384 0.902 20 0 CCADLP CCN(CC)C(=O)[C@@H](C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261719426 352563650 /nfs/dbraw/zinc/56/36/50/352563650.db2.gz KBELXUOTRLVBKP-ZIAGYGMSSA-N 2 2 282.432 0.223 20 0 CCADLP Cn1cc([C@@H]2C[N@H+](CC(C)(C)[NH3+])C[C@H]2CO)cn1 ZINC000261943854 352566720 /nfs/dbraw/zinc/56/67/20/352566720.db2.gz NAITZRIIGFWBQF-RYUDHWBXSA-N 2 2 252.362 0.165 20 0 CCADLP Cn1cc([C@@H]2C[N@@H+](CC(C)(C)[NH3+])C[C@H]2CO)cn1 ZINC000261943854 352566721 /nfs/dbraw/zinc/56/67/21/352566721.db2.gz NAITZRIIGFWBQF-RYUDHWBXSA-N 2 2 252.362 0.165 20 0 CCADLP CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1CC(C)(C)[NH3+] ZINC000261965458 352568101 /nfs/dbraw/zinc/56/81/01/352568101.db2.gz PSZSYBRBQFXQHS-MNOVXSKESA-N 2 2 258.362 0.766 20 0 CCADLP CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1CC(C)(C)[NH3+] ZINC000261965458 352568105 /nfs/dbraw/zinc/56/81/05/352568105.db2.gz PSZSYBRBQFXQHS-MNOVXSKESA-N 2 2 258.362 0.766 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CC[C@H]2CCOC2)C1 ZINC000262030930 352570932 /nfs/dbraw/zinc/57/09/32/352570932.db2.gz XDZCVONYPQRVRF-UONOGXRCSA-N 2 2 281.400 0.309 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CC[C@H]2CCOC2)C1 ZINC000262030930 352570934 /nfs/dbraw/zinc/57/09/34/352570934.db2.gz XDZCVONYPQRVRF-UONOGXRCSA-N 2 2 281.400 0.309 20 0 CCADLP Cc1cnn(C[C@H]2C[N@H+](C[C@]3(C)CC[NH2+]C3)CCO2)c1 ZINC000262060470 352574665 /nfs/dbraw/zinc/57/46/65/352574665.db2.gz RBOIYIYMLAVKMT-HUUCEWRRSA-N 2 2 278.400 0.892 20 0 CCADLP Cc1cnn(C[C@H]2C[N@@H+](C[C@]3(C)CC[NH2+]C3)CCO2)c1 ZINC000262060470 352574670 /nfs/dbraw/zinc/57/46/70/352574670.db2.gz RBOIYIYMLAVKMT-HUUCEWRRSA-N 2 2 278.400 0.892 20 0 CCADLP C[C@H](CC[NH3+])NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000418539632 234159230 /nfs/dbraw/zinc/15/92/30/234159230.db2.gz FUWAPBPNOBBISB-YPMHNXCESA-N 2 2 278.356 0.982 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604388984 363193845 /nfs/dbraw/zinc/19/38/45/363193845.db2.gz KFQOOSWJXRVYOA-DZGCQCFKSA-N 2 2 294.443 0.365 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604388984 363193850 /nfs/dbraw/zinc/19/38/50/363193850.db2.gz KFQOOSWJXRVYOA-DZGCQCFKSA-N 2 2 294.443 0.365 20 0 CCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266900080 352730635 /nfs/dbraw/zinc/73/06/35/352730635.db2.gz GHWCIKKPSSNPFB-LLVKDONJSA-N 2 2 277.372 0.209 20 0 CCADLP CCCCNC(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266930398 352733756 /nfs/dbraw/zinc/73/37/56/352733756.db2.gz OJIJVXLNBPYBNQ-UHFFFAOYSA-N 2 2 279.388 0.458 20 0 CCADLP C[NH+](C)[C@]1(CNC(=O)NCCn2cc[nH+]c2)CCSC1 ZINC000267103667 352744117 /nfs/dbraw/zinc/74/41/17/352744117.db2.gz LNFVTJCTASGLMH-ZDUSSCGKSA-N 2 2 297.428 0.620 20 0 CCADLP C[C@@H](CNC(=O)[C@H](C)N1CC[NH+](C)CC1)Cn1cc[nH+]c1 ZINC000267183846 352749929 /nfs/dbraw/zinc/74/99/29/352749929.db2.gz WBADHJVADGUDHK-KBPBESRZSA-N 2 2 293.415 0.271 20 0 CCADLP NS(=O)(=O)CCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267455536 352767725 /nfs/dbraw/zinc/76/77/25/352767725.db2.gz SVOCMYCUUJOHAY-SNVBAGLBSA-N 2 2 272.374 0.268 20 0 CCADLP NS(=O)(=O)CCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267455536 352767731 /nfs/dbraw/zinc/76/77/31/352767731.db2.gz SVOCMYCUUJOHAY-SNVBAGLBSA-N 2 2 272.374 0.268 20 0 CCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H](O)C3)cn2)CC1 ZINC000271017707 353015362 /nfs/dbraw/zinc/01/53/62/353015362.db2.gz SAOLYASNMKJYQV-AWEZNQCLSA-N 2 2 291.399 0.185 20 0 CCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H](O)C3)cn2)CC1 ZINC000271017707 353015366 /nfs/dbraw/zinc/01/53/66/353015366.db2.gz SAOLYASNMKJYQV-AWEZNQCLSA-N 2 2 291.399 0.185 20 0 CCADLP COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CCn2cc[nH+]c2)C1 ZINC000270853166 352995742 /nfs/dbraw/zinc/99/57/42/352995742.db2.gz QEJGVJVIHUYYLU-UONOGXRCSA-N 2 2 294.399 0.746 20 0 CCADLP COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CCn2cc[nH+]c2)C1 ZINC000270853166 352995745 /nfs/dbraw/zinc/99/57/45/352995745.db2.gz QEJGVJVIHUYYLU-UONOGXRCSA-N 2 2 294.399 0.746 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000292406574 198275709 /nfs/dbraw/zinc/27/57/09/198275709.db2.gz GUKLTGORGKOVEO-WCQYABFASA-N 2 2 262.357 0.760 20 0 CCADLP C[NH+](C)C[C@](C)(O)CNc1cc(N2CCOCC2)nc[nH+]1 ZINC000277905282 353272474 /nfs/dbraw/zinc/27/24/74/353272474.db2.gz UPERTRSDHFZVLH-CQSZACIVSA-N 2 2 295.387 0.038 20 0 CCADLP C[NH+](C)C[C@](C)(O)CNc1cc(N2CCOCC2)[nH+]cn1 ZINC000277905282 353272475 /nfs/dbraw/zinc/27/24/75/353272475.db2.gz UPERTRSDHFZVLH-CQSZACIVSA-N 2 2 295.387 0.038 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000531663456 358477324 /nfs/dbraw/zinc/47/73/24/358477324.db2.gz FLMFKZNMMPOBEF-RRFJBIMHSA-N 2 2 295.427 0.840 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000531663456 358477327 /nfs/dbraw/zinc/47/73/27/358477327.db2.gz FLMFKZNMMPOBEF-RRFJBIMHSA-N 2 2 295.427 0.840 20 0 CCADLP O=C(N[C@@H]1CCC[NH2+]CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000655456272 412579244 /nfs/dbraw/zinc/57/92/44/412579244.db2.gz CJQMQEYNBGYKFG-NWDGAFQWSA-N 2 2 262.357 0.704 20 0 CCADLP O=C([C@H]1CC[N@H+](CCn2cc[nH+]c2)C1)N1CCCC1 ZINC000287490476 353649641 /nfs/dbraw/zinc/64/96/41/353649641.db2.gz STNMVMBKXLLUQV-ZDUSSCGKSA-N 2 2 262.357 0.827 20 0 CCADLP O=C([C@H]1CC[N@@H+](CCn2cc[nH+]c2)C1)N1CCCC1 ZINC000287490476 353649642 /nfs/dbraw/zinc/64/96/42/353649642.db2.gz STNMVMBKXLLUQV-ZDUSSCGKSA-N 2 2 262.357 0.827 20 0 CCADLP Cc1cn[nH]c1C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000289957865 353696360 /nfs/dbraw/zinc/69/63/60/353696360.db2.gz QOVMLISATMCLJL-CQSZACIVSA-N 2 2 293.415 0.750 20 0 CCADLP C[C@@H]1C[N@H+](CCCNC(=O)CCc2[nH]cc[nH+]2)CCCO1 ZINC000287841923 353671129 /nfs/dbraw/zinc/67/11/29/353671129.db2.gz CRLARJJVKVPPBV-CYBMUJFWSA-N 2 2 294.399 0.959 20 0 CCADLP C[C@@H]1C[N@@H+](CCCNC(=O)CCc2[nH]cc[nH+]2)CCCO1 ZINC000287841923 353671133 /nfs/dbraw/zinc/67/11/33/353671133.db2.gz CRLARJJVKVPPBV-CYBMUJFWSA-N 2 2 294.399 0.959 20 0 CCADLP Nc1ncccc1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000290034264 353702807 /nfs/dbraw/zinc/70/28/07/353702807.db2.gz NOKJUKWJRQCSKG-CYBMUJFWSA-N 2 2 276.384 0.818 20 0 CCADLP Nc1ncccc1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000290034264 353702811 /nfs/dbraw/zinc/70/28/11/353702811.db2.gz NOKJUKWJRQCSKG-CYBMUJFWSA-N 2 2 276.384 0.818 20 0 CCADLP C[NH+]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC000291037862 353764892 /nfs/dbraw/zinc/76/48/92/353764892.db2.gz XZRGIPIJQJFUNX-UHFFFAOYSA-N 2 2 278.356 0.658 20 0 CCADLP CC(C)[NH+]1CCN(c2cc(NC[C@@H](C)O)[nH+]cn2)CC1 ZINC000294325487 353888699 /nfs/dbraw/zinc/88/86/99/353888699.db2.gz JDKBSIMXLVYKNN-GFCCVEGCSA-N 2 2 279.388 0.800 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000606371262 363280079 /nfs/dbraw/zinc/28/00/79/363280079.db2.gz FNGFKXBXBBRKQW-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000606371262 363280080 /nfs/dbraw/zinc/28/00/80/363280080.db2.gz FNGFKXBXBBRKQW-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP Cc1cc(NC2CC[NH+](CC(=O)N(C)C)CC2)nc[nH+]1 ZINC000301246125 354073878 /nfs/dbraw/zinc/07/38/78/354073878.db2.gz PYKACBCKUHVIOA-UHFFFAOYSA-N 2 2 277.372 0.750 20 0 CCADLP COc1ccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])c(F)c1 ZINC000299931694 354056346 /nfs/dbraw/zinc/05/63/46/354056346.db2.gz JGUJBGOKAAXVBV-GFCCVEGCSA-N 2 2 267.348 0.909 20 0 CCADLP COc1ccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])c(F)c1 ZINC000299931694 354056351 /nfs/dbraw/zinc/05/63/51/354056351.db2.gz JGUJBGOKAAXVBV-GFCCVEGCSA-N 2 2 267.348 0.909 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)CC1CCOCC1 ZINC000311448072 354199953 /nfs/dbraw/zinc/19/99/53/354199953.db2.gz ILRAPDZTLMQWEE-CQSZACIVSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)CC1CCOCC1 ZINC000311448072 354199955 /nfs/dbraw/zinc/19/99/55/354199955.db2.gz ILRAPDZTLMQWEE-CQSZACIVSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)CC1CCOCC1 ZINC000311448072 354199958 /nfs/dbraw/zinc/19/99/58/354199958.db2.gz ILRAPDZTLMQWEE-CQSZACIVSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)CC1CCOCC1 ZINC000311448072 354199960 /nfs/dbraw/zinc/19/99/60/354199960.db2.gz ILRAPDZTLMQWEE-CQSZACIVSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(F)F)CC1 ZINC000312013427 354205788 /nfs/dbraw/zinc/20/57/88/354205788.db2.gz XAYJRWSINXJGGP-GFCCVEGCSA-N 2 2 280.359 0.903 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(F)F)CC1 ZINC000312013427 354205790 /nfs/dbraw/zinc/20/57/90/354205790.db2.gz XAYJRWSINXJGGP-GFCCVEGCSA-N 2 2 280.359 0.903 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000312457426 354208322 /nfs/dbraw/zinc/20/83/22/354208322.db2.gz YCPFIYLCIITKAG-CYBMUJFWSA-N 2 2 288.432 0.815 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000312457426 354208326 /nfs/dbraw/zinc/20/83/26/354208326.db2.gz YCPFIYLCIITKAG-CYBMUJFWSA-N 2 2 288.432 0.815 20 0 CCADLP C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313339225 354212734 /nfs/dbraw/zinc/21/27/34/354212734.db2.gz BWBBNOVQEJRDCY-OCCSQVGLSA-N 2 2 283.416 0.873 20 0 CCADLP C[C@H](C(=O)NC1CCCCC1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313339225 354212740 /nfs/dbraw/zinc/21/27/40/354212740.db2.gz BWBBNOVQEJRDCY-OCCSQVGLSA-N 2 2 283.416 0.873 20 0 CCADLP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313348195 354214212 /nfs/dbraw/zinc/21/42/12/354214212.db2.gz KRDJRRQHSZQQQM-MJBXVCDLSA-N 2 2 283.416 0.826 20 0 CCADLP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313348195 354214217 /nfs/dbraw/zinc/21/42/17/354214217.db2.gz KRDJRRQHSZQQQM-MJBXVCDLSA-N 2 2 283.416 0.826 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000329890775 354269437 /nfs/dbraw/zinc/26/94/37/354269437.db2.gz GTNPFFAJOBVYQJ-ZDUSSCGKSA-N 2 2 292.383 0.523 20 0 CCADLP C[NH+](C)C1CN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)C1 ZINC000271744521 191301529 /nfs/dbraw/zinc/30/15/29/191301529.db2.gz SBUYNCXMZRBUGY-LLVKDONJSA-N 2 2 277.372 0.188 20 0 CCADLP CCOC(=O)C1(O)CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000330548237 354405914 /nfs/dbraw/zinc/40/59/14/354405914.db2.gz AZGDJBUQSDCNAO-CYBMUJFWSA-N 2 2 284.400 0.861 20 0 CCADLP CCOC(=O)C1(O)CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000330548237 354405917 /nfs/dbraw/zinc/40/59/17/354405917.db2.gz AZGDJBUQSDCNAO-CYBMUJFWSA-N 2 2 284.400 0.861 20 0 CCADLP COC(=O)[C@@](C)(O)C[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000330855212 354428738 /nfs/dbraw/zinc/42/87/38/354428738.db2.gz SHCKYIHTPPVGCE-HNNXBMFYSA-N 2 2 293.367 0.436 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)NCc2c[nH+]c3n2CCCC3)C1 ZINC000557379533 291031515 /nfs/dbraw/zinc/03/15/15/291031515.db2.gz KIUVKVDQKPLQIR-NSHDSACASA-N 2 2 262.357 0.787 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)NCc2c[nH+]c3n2CCCC3)C1 ZINC000557379533 291031518 /nfs/dbraw/zinc/03/15/18/291031518.db2.gz KIUVKVDQKPLQIR-NSHDSACASA-N 2 2 262.357 0.787 20 0 CCADLP Cn1nc2c(cc1=O)C[N@@H+](Cc1cc[nH+]c(N)c1)CC2 ZINC000332501461 354689127 /nfs/dbraw/zinc/68/91/27/354689127.db2.gz DDVNYYGUZPZTSB-UHFFFAOYSA-N 2 2 271.324 0.146 20 0 CCADLP Cn1nc2c(cc1=O)C[N@H+](Cc1cc[nH+]c(N)c1)CC2 ZINC000332501461 354689131 /nfs/dbraw/zinc/68/91/31/354689131.db2.gz DDVNYYGUZPZTSB-UHFFFAOYSA-N 2 2 271.324 0.146 20 0 CCADLP C[C@@H](C(=O)N(C)CCCn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000332577369 354699869 /nfs/dbraw/zinc/69/98/69/354699869.db2.gz ZMWKQIBITQPKRC-ZDUSSCGKSA-N 2 2 280.372 0.452 20 0 CCADLP CCc1nc2n(n1)C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)CC2 ZINC000332664790 354714877 /nfs/dbraw/zinc/71/48/77/354714877.db2.gz YASJHIKYUAPQKY-IJLUTSLNSA-N 2 2 263.389 0.743 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000333543496 354761298 /nfs/dbraw/zinc/76/12/98/354761298.db2.gz JOLIZCGEOAZLMA-MCIONIFRSA-N 2 2 297.447 0.014 20 0 CCADLP C[C@H]([NH2+][C@@H]1CCO[C@H]1c1cnn(C)c1)[C@@H]1CCC[NH2+]1 ZINC000333640293 354767762 /nfs/dbraw/zinc/76/77/62/354767762.db2.gz XEHFRQQMCZKSGG-DEQVHRJGSA-N 2 2 264.373 0.980 20 0 CCADLP C[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)[C@H]1CCCC[NH2+]1 ZINC000333758443 354788907 /nfs/dbraw/zinc/78/89/07/354788907.db2.gz AENOVBMZJNCDGC-JHJVBQTASA-N 2 2 289.445 0.531 20 0 CCADLP CCC[N@H+](C)CC(=O)NC(C)(C)C[NH+]1CCN(CC)CC1 ZINC000456909943 283056615 /nfs/dbraw/zinc/05/66/15/283056615.db2.gz ZJPCDBSSGRSXLF-UHFFFAOYSA-N 2 2 298.475 0.861 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC(C)(C)C[NH+]1CCN(CC)CC1 ZINC000456909943 283056617 /nfs/dbraw/zinc/05/66/17/283056617.db2.gz ZJPCDBSSGRSXLF-UHFFFAOYSA-N 2 2 298.475 0.861 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000423527796 235000060 /nfs/dbraw/zinc/00/00/60/235000060.db2.gz MTRGGRUXHPUREB-QEJZJMRPSA-N 2 2 295.427 0.683 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000423527796 235000062 /nfs/dbraw/zinc/00/00/62/235000062.db2.gz MTRGGRUXHPUREB-QEJZJMRPSA-N 2 2 295.427 0.683 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)CN1CC[NH+](C)CC1 ZINC000608413559 363427903 /nfs/dbraw/zinc/42/79/03/363427903.db2.gz LZWQEFMVJQJCCU-UHFFFAOYSA-N 2 2 293.415 0.403 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000423564276 235007344 /nfs/dbraw/zinc/00/73/44/235007344.db2.gz PHPXQSYOMNIBGI-BXUZGUMPSA-N 2 2 285.351 0.995 20 0 CCADLP COC[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000558414787 291054838 /nfs/dbraw/zinc/05/48/38/291054838.db2.gz WACMTCZLUPMRIZ-FFHGMXDLSA-N 2 2 297.443 0.942 20 0 CCADLP COC[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000558414787 291054840 /nfs/dbraw/zinc/05/48/40/291054840.db2.gz WACMTCZLUPMRIZ-FFHGMXDLSA-N 2 2 297.443 0.942 20 0 CCADLP Cc1ccc([C@H]([NH3+])C(=O)NCC[N@@H+]2CCCOCC2)cc1 ZINC000423821293 235091157 /nfs/dbraw/zinc/09/11/57/235091157.db2.gz HKBSSBMFEMAPOB-HNNXBMFYSA-N 2 2 291.395 0.833 20 0 CCADLP Cc1ccc([C@H]([NH3+])C(=O)NCC[N@H+]2CCCOCC2)cc1 ZINC000423821293 235091160 /nfs/dbraw/zinc/09/11/60/235091160.db2.gz HKBSSBMFEMAPOB-HNNXBMFYSA-N 2 2 291.395 0.833 20 0 CCADLP [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000424132238 235159496 /nfs/dbraw/zinc/15/94/96/235159496.db2.gz HJOIQCJSKQZZBJ-QLFBSQMISA-N 2 2 289.379 0.351 20 0 CCADLP [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000424132238 235159499 /nfs/dbraw/zinc/15/94/99/235159499.db2.gz HJOIQCJSKQZZBJ-QLFBSQMISA-N 2 2 289.379 0.351 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)CS(C)(=O)=O ZINC000336727294 355151777 /nfs/dbraw/zinc/15/17/77/355151777.db2.gz LVTKBAHWPRICPW-LLVKDONJSA-N 2 2 273.402 0.947 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)CS(C)(=O)=O ZINC000336727294 355151786 /nfs/dbraw/zinc/15/17/86/355151786.db2.gz LVTKBAHWPRICPW-LLVKDONJSA-N 2 2 273.402 0.947 20 0 CCADLP CC(C)[C@H](O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000336785247 355158707 /nfs/dbraw/zinc/15/87/07/355158707.db2.gz CCYGXNYXZJYZOR-GFCCVEGCSA-N 2 2 252.362 0.559 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3nccc(C)n3)C2)CC1 ZINC000336833169 355206706 /nfs/dbraw/zinc/20/67/06/355206706.db2.gz BYBXUWMSWQRWLF-HNNXBMFYSA-N 2 2 289.427 0.997 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3nccc(C)n3)C2)CC1 ZINC000336833169 355206710 /nfs/dbraw/zinc/20/67/10/355206710.db2.gz BYBXUWMSWQRWLF-HNNXBMFYSA-N 2 2 289.427 0.997 20 0 CCADLP C[C@H]1C[C@H]([NH+](C)CCN2CCCS2(=O)=O)CC[N@@H+]1C ZINC000336800180 355174382 /nfs/dbraw/zinc/17/43/82/355174382.db2.gz LFURRYXUVPQWBY-QWHCGFSZSA-N 2 2 289.445 0.436 20 0 CCADLP C[C@H]1C[C@H]([NH+](C)CCN2CCCS2(=O)=O)CC[N@H+]1C ZINC000336800180 355174384 /nfs/dbraw/zinc/17/43/84/355174384.db2.gz LFURRYXUVPQWBY-QWHCGFSZSA-N 2 2 289.445 0.436 20 0 CCADLP C[C@H]1C[C@H]([N@H+](C)CCN2CCCS2(=O)=O)CC[NH+]1C ZINC000336800180 355174388 /nfs/dbraw/zinc/17/43/88/355174388.db2.gz LFURRYXUVPQWBY-QWHCGFSZSA-N 2 2 289.445 0.436 20 0 CCADLP C[C@H]1C[C@H]([N@@H+](C)CCN2CCCS2(=O)=O)CC[NH+]1C ZINC000336800180 355174392 /nfs/dbraw/zinc/17/43/92/355174392.db2.gz LFURRYXUVPQWBY-QWHCGFSZSA-N 2 2 289.445 0.436 20 0 CCADLP [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000424180445 235171150 /nfs/dbraw/zinc/17/11/50/235171150.db2.gz VOWLMBGXHRTZLJ-HBNTYKKESA-N 2 2 275.343 0.865 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000424180447 235171549 /nfs/dbraw/zinc/17/15/49/235171549.db2.gz VOWLMBGXHRTZLJ-OUAUKWLOSA-N 2 2 275.343 0.865 20 0 CCADLP O=C1CCCN1[C@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000271793571 191331013 /nfs/dbraw/zinc/33/10/13/191331013.db2.gz ATGGGHHGMSKECZ-ZDUSSCGKSA-N 2 2 262.357 0.970 20 0 CCADLP O=C1CCCN1[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000271793571 191331015 /nfs/dbraw/zinc/33/10/15/191331015.db2.gz ATGGGHHGMSKECZ-ZDUSSCGKSA-N 2 2 262.357 0.970 20 0 CCADLP CCC[N@@H+](CC(=O)N(C)C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351477937 283084588 /nfs/dbraw/zinc/08/45/88/283084588.db2.gz OFXBIADZJWSITL-ZDUSSCGKSA-N 2 2 271.405 0.242 20 0 CCADLP CCC[N@H+](CC(=O)N(C)C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351477937 283084597 /nfs/dbraw/zinc/08/45/97/283084597.db2.gz OFXBIADZJWSITL-ZDUSSCGKSA-N 2 2 271.405 0.242 20 0 CCADLP CCC[NH+](CC(=O)N(C)C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351477937 283084602 /nfs/dbraw/zinc/08/46/02/283084602.db2.gz OFXBIADZJWSITL-ZDUSSCGKSA-N 2 2 271.405 0.242 20 0 CCADLP CCC[NH+](CC(=O)N(C)C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351477937 283084606 /nfs/dbraw/zinc/08/46/06/283084606.db2.gz OFXBIADZJWSITL-ZDUSSCGKSA-N 2 2 271.405 0.242 20 0 CCADLP COCC(C)(C)C[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424386868 235201565 /nfs/dbraw/zinc/20/15/65/235201565.db2.gz XSOSSONIIIWFBF-QWHCGFSZSA-N 2 2 266.389 0.819 20 0 CCADLP COCC(C)(C)C[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424386868 235201569 /nfs/dbraw/zinc/20/15/69/235201569.db2.gz XSOSSONIIIWFBF-QWHCGFSZSA-N 2 2 266.389 0.819 20 0 CCADLP C[N@H+](CCC[NH+]1CCCC1)CC(=O)NC[C@@H]1CCCO1 ZINC000337277845 355295837 /nfs/dbraw/zinc/29/58/37/355295837.db2.gz RYXHQWZNDXNGFM-AWEZNQCLSA-N 2 2 283.416 0.699 20 0 CCADLP C[N@@H+](CCC[NH+]1CCCC1)CC(=O)NC[C@@H]1CCCO1 ZINC000337277845 355295841 /nfs/dbraw/zinc/29/58/41/355295841.db2.gz RYXHQWZNDXNGFM-AWEZNQCLSA-N 2 2 283.416 0.699 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338309795 355317597 /nfs/dbraw/zinc/31/75/97/355317597.db2.gz WYPRPYIXMIGXMU-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338309795 355317601 /nfs/dbraw/zinc/31/76/01/355317601.db2.gz WYPRPYIXMIGXMU-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP C[C@](O)(C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)C(F)(F)F ZINC000337176769 355278672 /nfs/dbraw/zinc/27/86/72/355278672.db2.gz JNQOLBURRAVFNI-NEPJUHHUSA-N 2 2 296.333 0.954 20 0 CCADLP C[C@](O)(C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)C(F)(F)F ZINC000337176769 355278678 /nfs/dbraw/zinc/27/86/78/355278678.db2.gz JNQOLBURRAVFNI-NEPJUHHUSA-N 2 2 296.333 0.954 20 0 CCADLP OC[C@]1(F)CC[NH+](C/C=C/C[N@H+]2CC[C@@](F)(CO)C2)C1 ZINC000338594160 355374210 /nfs/dbraw/zinc/37/42/10/355374210.db2.gz OMLOGHWLVDSVMY-FAVCQXFFSA-N 2 2 290.354 0.355 20 0 CCADLP OC[C@]1(F)CC[NH+](C/C=C/C[N@@H+]2CC[C@@](F)(CO)C2)C1 ZINC000338594160 355374214 /nfs/dbraw/zinc/37/42/14/355374214.db2.gz OMLOGHWLVDSVMY-FAVCQXFFSA-N 2 2 290.354 0.355 20 0 CCADLP CC(C[NH+]1CC[C@@](F)(CO)C1)C[N@H+]1CC[C@@](F)(CO)C1 ZINC000338626040 355382963 /nfs/dbraw/zinc/38/29/63/355382963.db2.gz PNKBOJYKVHXYDS-KBPBESRZSA-N 2 2 292.370 0.435 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000338796942 355421914 /nfs/dbraw/zinc/42/19/14/355421914.db2.gz WJKZWGNCYJZWKV-GRYCIOLGSA-N 2 2 251.374 0.727 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000338796942 355421915 /nfs/dbraw/zinc/42/19/15/355421915.db2.gz WJKZWGNCYJZWKV-GRYCIOLGSA-N 2 2 251.374 0.727 20 0 CCADLP [NH3+]C[C@@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)C(F)(F)F ZINC000655515809 412609364 /nfs/dbraw/zinc/60/93/64/412609364.db2.gz QNRJMEZGNDFGPO-SNVBAGLBSA-N 2 2 299.256 0.887 20 0 CCADLP Cc1c[nH+]c(CNC[C@@H](O)C[NH+]2CCC(C)CC2)n1C ZINC000341048072 355594229 /nfs/dbraw/zinc/59/42/29/355594229.db2.gz OHQWXMISUHSDPS-CQSZACIVSA-N 2 2 280.416 0.911 20 0 CCADLP COCC(C)(C)[NH+]1CCN([C@H](C)C[NH+]2CCOCC2)CC1 ZINC000425512541 235303482 /nfs/dbraw/zinc/30/34/82/235303482.db2.gz YLWZICBXBDJECH-OAHLLOKOSA-N 2 2 299.459 0.750 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000341610917 355703551 /nfs/dbraw/zinc/70/35/51/355703551.db2.gz MAMLOCYDRPXFBA-CYBMUJFWSA-N 2 2 290.402 0.551 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000341610917 355703555 /nfs/dbraw/zinc/70/35/55/355703555.db2.gz MAMLOCYDRPXFBA-CYBMUJFWSA-N 2 2 290.402 0.551 20 0 CCADLP CC[C@H](O)C[NH+]1CCN(Cc2[nH+]cc(C)n2C)CC1 ZINC000342776309 355743200 /nfs/dbraw/zinc/74/32/00/355743200.db2.gz GQKXZKHOYHVNPI-ZDUSSCGKSA-N 2 2 266.389 0.617 20 0 CCADLP O=C(NCC1([NH+]2CCOCC2)CC1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000427421563 235363521 /nfs/dbraw/zinc/36/35/21/235363521.db2.gz QCSDDOUNAGXUFM-CQSZACIVSA-N 2 2 293.411 0.594 20 0 CCADLP O=C(NCC1([NH+]2CCOCC2)CC1)[C@H]1CCC[N@H+]1C1CC1 ZINC000427421563 235363524 /nfs/dbraw/zinc/36/35/24/235363524.db2.gz QCSDDOUNAGXUFM-CQSZACIVSA-N 2 2 293.411 0.594 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)Cc2ccnn2C)CC1 ZINC000348363199 355919604 /nfs/dbraw/zinc/91/96/04/355919604.db2.gz DCQZUDKPKJPQJX-UHFFFAOYSA-N 2 2 293.415 0.452 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2ccnn2C)CC1 ZINC000348363199 355919610 /nfs/dbraw/zinc/91/96/10/355919610.db2.gz DCQZUDKPKJPQJX-UHFFFAOYSA-N 2 2 293.415 0.452 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000347543527 355880118 /nfs/dbraw/zinc/88/01/18/355880118.db2.gz QUPXOXAGOOEEKD-OLZOCXBDSA-N 2 2 289.445 0.614 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000347543527 355880122 /nfs/dbraw/zinc/88/01/22/355880122.db2.gz QUPXOXAGOOEEKD-OLZOCXBDSA-N 2 2 289.445 0.614 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000347543527 355880128 /nfs/dbraw/zinc/88/01/28/355880128.db2.gz QUPXOXAGOOEEKD-OLZOCXBDSA-N 2 2 289.445 0.614 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000347543527 355880132 /nfs/dbraw/zinc/88/01/32/355880132.db2.gz QUPXOXAGOOEEKD-OLZOCXBDSA-N 2 2 289.445 0.614 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000347722906 355882022 /nfs/dbraw/zinc/88/20/22/355882022.db2.gz PAKDUWLMXWEEGM-BXUZGUMPSA-N 2 2 297.424 0.416 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000347722906 355882023 /nfs/dbraw/zinc/88/20/23/355882023.db2.gz PAKDUWLMXWEEGM-BXUZGUMPSA-N 2 2 297.424 0.416 20 0 CCADLP C[C@H](CNc1[nH+]cnc2[nH]ccc21)C[NH+]1CCOCC1 ZINC000348225836 355890876 /nfs/dbraw/zinc/89/08/76/355890876.db2.gz LOPZDLVOUVQCAD-LLVKDONJSA-N 2 2 275.356 0.760 20 0 CCADLP CC[N@@H+]1CCN(CC[NH+]2CCOC[C@H]2C)[C@H](C)C1 ZINC000352667975 356047918 /nfs/dbraw/zinc/04/79/18/356047918.db2.gz ONSMHQCFHYLDKB-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP CC[N@H+]1CCN(CC[NH+]2CCOC[C@H]2C)[C@H](C)C1 ZINC000352667975 356047921 /nfs/dbraw/zinc/04/79/21/356047921.db2.gz ONSMHQCFHYLDKB-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP CC[NH+]1CCN(CC[N@@H+]2CCOC[C@H]2C)[C@H](C)C1 ZINC000352667975 356047926 /nfs/dbraw/zinc/04/79/26/356047926.db2.gz ONSMHQCFHYLDKB-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP CC[NH+]1CCN(CC[N@H+]2CCOC[C@H]2C)[C@H](C)C1 ZINC000352667975 356047929 /nfs/dbraw/zinc/04/79/29/356047929.db2.gz ONSMHQCFHYLDKB-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@@H](Cn1cncn1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352775169 356076756 /nfs/dbraw/zinc/07/67/56/356076756.db2.gz ZDBUFNSUMHNNNW-JTQLQIEISA-N 2 2 280.401 0.975 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CC2(O)CCC2)CC1 ZINC000353486560 356235866 /nfs/dbraw/zinc/23/58/66/356235866.db2.gz BOTVKPRMAPPFON-CYBMUJFWSA-N 2 2 283.416 0.386 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CC2(O)CCC2)CC1 ZINC000353486560 356235870 /nfs/dbraw/zinc/23/58/70/356235870.db2.gz BOTVKPRMAPPFON-CYBMUJFWSA-N 2 2 283.416 0.386 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000353469226 356231006 /nfs/dbraw/zinc/23/10/06/356231006.db2.gz POWCFRWDQODVPQ-ZQDZILKHSA-N 2 2 295.427 0.554 20 0 CCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])[C@H](C)CC)CC1 ZINC000353475831 356232715 /nfs/dbraw/zinc/23/27/15/356232715.db2.gz XQJKJUUITDMBLJ-OCCSQVGLSA-N 2 2 298.431 0.030 20 0 CCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]([NH3+])[C@H](C)CC)CC1 ZINC000353475831 356232718 /nfs/dbraw/zinc/23/27/18/356232718.db2.gz XQJKJUUITDMBLJ-OCCSQVGLSA-N 2 2 298.431 0.030 20 0 CCADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)C(C)(C)n1cncn1 ZINC000353255760 356188662 /nfs/dbraw/zinc/18/86/62/356188662.db2.gz ODCOBWBNEYTUDJ-UONOGXRCSA-N 2 2 295.431 0.960 20 0 CCADLP CC[C@@H](Cn1cncn1)[NH2+][C@H](C)CC[NH+]1CCOCC1 ZINC000353275452 356193098 /nfs/dbraw/zinc/19/30/98/356193098.db2.gz JUPHPGOLGIUMNX-KGLIPLIRSA-N 2 2 281.404 0.757 20 0 CCADLP C[C@@H]1[C@@H](Nc2cc[nH+]c(N3CCOCC3)n2)CCC[N@@H+]1C ZINC000353284387 356194603 /nfs/dbraw/zinc/19/46/03/356194603.db2.gz YXAHJLVINJKDPB-OLZOCXBDSA-N 2 2 291.399 0.630 20 0 CCADLP C[C@@H]1[C@@H](Nc2cc[nH+]c(N3CCOCC3)n2)CCC[N@H+]1C ZINC000353284387 356194604 /nfs/dbraw/zinc/19/46/04/356194604.db2.gz YXAHJLVINJKDPB-OLZOCXBDSA-N 2 2 291.399 0.630 20 0 CCADLP [NH3+]CCCCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000273009407 192016533 /nfs/dbraw/zinc/01/65/33/192016533.db2.gz VAKIXPZTXUIRGO-UHFFFAOYSA-N 2 2 291.395 0.988 20 0 CCADLP CNC(=O)CC[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000360973175 138017848 /nfs/dbraw/zinc/01/78/48/138017848.db2.gz ICMYCQJUZLWTCN-UHFFFAOYSA-N 2 2 285.388 0.130 20 0 CCADLP O=C(NCC[NH+]1CCCC1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000353818257 356299422 /nfs/dbraw/zinc/29/94/22/356299422.db2.gz TXJVKBICJHHUSU-OAHLLOKOSA-N 2 2 295.427 0.842 20 0 CCADLP O=C(NCC[NH+]1CCCC1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000353818257 356299424 /nfs/dbraw/zinc/29/94/24/356299424.db2.gz TXJVKBICJHHUSU-OAHLLOKOSA-N 2 2 295.427 0.842 20 0 CCADLP COCC[NH+]1CCC([NH2+][C@H]2CCN(C3CC3)C2=O)CC1 ZINC000361241480 138026357 /nfs/dbraw/zinc/02/63/57/138026357.db2.gz BMZHSXQHENVXEX-AWEZNQCLSA-N 2 2 281.400 0.450 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000354264406 356378285 /nfs/dbraw/zinc/37/82/85/356378285.db2.gz DPXJEZPTXIXLEI-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000354264406 356378287 /nfs/dbraw/zinc/37/82/87/356378287.db2.gz DPXJEZPTXIXLEI-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000362453489 138060080 /nfs/dbraw/zinc/06/00/80/138060080.db2.gz YVLPBRINIOVPKR-MNOVXSKESA-N 2 2 250.346 0.576 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000362453489 138060081 /nfs/dbraw/zinc/06/00/81/138060081.db2.gz YVLPBRINIOVPKR-MNOVXSKESA-N 2 2 250.346 0.576 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000362526518 138062812 /nfs/dbraw/zinc/06/28/12/138062812.db2.gz SAMVWZXCGVZUGU-IJLUTSLNSA-N 2 2 250.346 0.586 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000362526518 138062813 /nfs/dbraw/zinc/06/28/13/138062813.db2.gz SAMVWZXCGVZUGU-IJLUTSLNSA-N 2 2 250.346 0.586 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCO[C@H](C3CC3)C2)CC1 ZINC000362556981 138064322 /nfs/dbraw/zinc/06/43/22/138064322.db2.gz ATVCQEPVHFDYLT-HNNXBMFYSA-N 2 2 295.427 0.698 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCO[C@H](C3CC3)C2)CC1 ZINC000362556981 138064323 /nfs/dbraw/zinc/06/43/23/138064323.db2.gz ATVCQEPVHFDYLT-HNNXBMFYSA-N 2 2 295.427 0.698 20 0 CCADLP CCCCOCC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362841274 138076867 /nfs/dbraw/zinc/07/68/67/138076867.db2.gz VUJLXDOVKFBGIT-AWEZNQCLSA-N 2 2 283.416 0.699 20 0 CCADLP CCCCOCC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362841274 138076868 /nfs/dbraw/zinc/07/68/68/138076868.db2.gz VUJLXDOVKFBGIT-AWEZNQCLSA-N 2 2 283.416 0.699 20 0 CCADLP CC(C)CCOCC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362838849 138077075 /nfs/dbraw/zinc/07/70/75/138077075.db2.gz PBCDRGKQTNQIIP-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP CC(C)CCOCC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362838849 138077076 /nfs/dbraw/zinc/07/70/76/138077076.db2.gz PBCDRGKQTNQIIP-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP O=C([C@H]1C[C@@H](F)C[NH2+]1)N1CCN(c2cccc[nH+]2)CC1 ZINC000362892432 138079063 /nfs/dbraw/zinc/07/90/63/138079063.db2.gz LBCVQTPIKOWWNF-VXGBXAGGSA-N 2 2 278.331 0.430 20 0 CCADLP O=C([C@@H]1C[C@H](F)C[NH2+]1)N1CCN(c2cccc[nH+]2)CC1 ZINC000362892431 138079139 /nfs/dbraw/zinc/07/91/39/138079139.db2.gz LBCVQTPIKOWWNF-RYUDHWBXSA-N 2 2 278.331 0.430 20 0 CCADLP CCNC(=O)C1(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CCC1 ZINC000363002622 138084095 /nfs/dbraw/zinc/08/40/95/138084095.db2.gz WWPZDXSEITYIIX-RYUDHWBXSA-N 2 2 253.390 0.833 20 0 CCADLP CCNC(=O)C1(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CCC1 ZINC000363002622 138084096 /nfs/dbraw/zinc/08/40/96/138084096.db2.gz WWPZDXSEITYIIX-RYUDHWBXSA-N 2 2 253.390 0.833 20 0 CCADLP Cc1ncccc1C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362673491 138068685 /nfs/dbraw/zinc/06/86/85/138068685.db2.gz OBSYUENZGZBOAT-HNNXBMFYSA-N 2 2 288.395 0.786 20 0 CCADLP Cc1ncccc1C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362673491 138068686 /nfs/dbraw/zinc/06/86/86/138068686.db2.gz OBSYUENZGZBOAT-HNNXBMFYSA-N 2 2 288.395 0.786 20 0 CCADLP Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362672934 138068838 /nfs/dbraw/zinc/06/88/38/138068838.db2.gz NEBVKPUBYGWNJU-ZDUSSCGKSA-N 2 2 291.399 0.423 20 0 CCADLP Cc1n[nH]c(C)c1C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362672934 138068839 /nfs/dbraw/zinc/06/88/39/138068839.db2.gz NEBVKPUBYGWNJU-ZDUSSCGKSA-N 2 2 291.399 0.423 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@H]1C)[NH+]1CCOCC1 ZINC000362723573 138071594 /nfs/dbraw/zinc/07/15/94/138071594.db2.gz KSHHJMBELCWXOC-RQJABVFESA-N 2 2 283.416 0.410 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)[NH+]1CCOCC1 ZINC000362723573 138071595 /nfs/dbraw/zinc/07/15/95/138071595.db2.gz KSHHJMBELCWXOC-RQJABVFESA-N 2 2 283.416 0.410 20 0 CCADLP CCN(C)C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000363520578 138091012 /nfs/dbraw/zinc/09/10/12/138091012.db2.gz SIRAWCVKCYABPH-CQSZACIVSA-N 2 2 283.416 0.509 20 0 CCADLP CCN(C)C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000363520578 138091013 /nfs/dbraw/zinc/09/10/13/138091013.db2.gz SIRAWCVKCYABPH-CQSZACIVSA-N 2 2 283.416 0.509 20 0 CCADLP Cn1ncnc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363604071 138091647 /nfs/dbraw/zinc/09/16/47/138091647.db2.gz MASPQSAMDLNZIP-UHFFFAOYSA-N 2 2 293.415 0.749 20 0 CCADLP CN(C)C(=O)C[N@@H+]1CCCN(Cc2c[nH+]cn2C)CC1 ZINC000363614174 138092517 /nfs/dbraw/zinc/09/25/17/138092517.db2.gz RAQYDPCSLIIVSZ-UHFFFAOYSA-N 2 2 279.388 0.016 20 0 CCADLP CN(C)C(=O)C[N@H+]1CCCN(Cc2c[nH+]cn2C)CC1 ZINC000363614174 138092518 /nfs/dbraw/zinc/09/25/18/138092518.db2.gz RAQYDPCSLIIVSZ-UHFFFAOYSA-N 2 2 279.388 0.016 20 0 CCADLP Cc1cc(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)cc[nH+]1 ZINC000354708965 356479442 /nfs/dbraw/zinc/47/94/42/356479442.db2.gz JLYBWPGUNKFJDK-LBPRGKRZSA-N 2 2 276.340 0.009 20 0 CCADLP CCC[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[N@@H+]1CCOC ZINC000560389279 291099030 /nfs/dbraw/zinc/09/90/30/291099030.db2.gz GIGOTPQTDNIYSH-AWEZNQCLSA-N 2 2 294.399 0.842 20 0 CCADLP CCC[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[N@H+]1CCOC ZINC000560389279 291099031 /nfs/dbraw/zinc/09/90/31/291099031.db2.gz GIGOTPQTDNIYSH-AWEZNQCLSA-N 2 2 294.399 0.842 20 0 CCADLP CCC[C@H]([NH2+]C(C)C)C(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000354932959 356531609 /nfs/dbraw/zinc/53/16/09/356531609.db2.gz YFSLSIYLBINYHR-BFHYXJOUSA-N 2 2 283.416 0.695 20 0 CCADLP CCC[C@H]([NH2+]C(C)C)C(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000354932959 356531615 /nfs/dbraw/zinc/53/16/15/356531615.db2.gz YFSLSIYLBINYHR-BFHYXJOUSA-N 2 2 283.416 0.695 20 0 CCADLP CCOC[C@@H](O)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000354855587 356515335 /nfs/dbraw/zinc/51/53/35/356515335.db2.gz SHGVHKMMZVLUHC-AWEZNQCLSA-N 2 2 256.390 0.944 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCNC(=O)c2ccn[nH]2)C1 ZINC000355778162 356645463 /nfs/dbraw/zinc/64/54/63/356645463.db2.gz LZJCTXSRLYMYPP-PWSUYJOCSA-N 2 2 265.361 0.069 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCNC(=O)c2ccn[nH]2)C1 ZINC000355778162 356645466 /nfs/dbraw/zinc/64/54/66/356645466.db2.gz LZJCTXSRLYMYPP-PWSUYJOCSA-N 2 2 265.361 0.069 20 0 CCADLP Cc1cnc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])s1 ZINC000560963660 291114916 /nfs/dbraw/zinc/11/49/16/291114916.db2.gz CZIHESWXQSNVNG-SECBINFHSA-N 2 2 269.374 0.558 20 0 CCADLP Cc1cnc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])s1 ZINC000560963660 291114919 /nfs/dbraw/zinc/11/49/19/291114919.db2.gz CZIHESWXQSNVNG-SECBINFHSA-N 2 2 269.374 0.558 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000560867641 291114271 /nfs/dbraw/zinc/11/42/71/291114271.db2.gz IVDJTOTUROSHMN-LBPRGKRZSA-N 2 2 269.389 0.165 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)NC(C)(C)C[NH+]2CCOCC2)C1 ZINC000560867641 291114272 /nfs/dbraw/zinc/11/42/72/291114272.db2.gz IVDJTOTUROSHMN-LBPRGKRZSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCCCn1cc[nH+]c1 ZINC000356123448 356707513 /nfs/dbraw/zinc/70/75/13/356707513.db2.gz HDQVWICFNPFTLR-ZDUSSCGKSA-N 2 2 295.387 0.293 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCCCn1cc[nH+]c1 ZINC000356123448 356707514 /nfs/dbraw/zinc/70/75/14/356707514.db2.gz HDQVWICFNPFTLR-ZDUSSCGKSA-N 2 2 295.387 0.293 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000619890343 366369071 /nfs/dbraw/zinc/36/90/71/366369071.db2.gz SSNQSMUUYILSAI-HNNXBMFYSA-N 2 2 295.427 0.651 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000619890343 366369075 /nfs/dbraw/zinc/36/90/75/366369075.db2.gz SSNQSMUUYILSAI-HNNXBMFYSA-N 2 2 295.427 0.651 20 0 CCADLP C[C@H](C(=O)NCc1ccccc1F)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359312846 356800192 /nfs/dbraw/zinc/80/01/92/356800192.db2.gz STSGQEOVVOMSSL-MRVWCRGKSA-N 2 2 291.370 0.982 20 0 CCADLP CC[NH+]1CCC(CCNC(=O)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000359471520 356827572 /nfs/dbraw/zinc/82/75/72/356827572.db2.gz MIDSYSPVSQPGTD-AWEZNQCLSA-N 2 2 297.443 0.945 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N2CCn3c[nH+]cc3C2)no1 ZINC000359482527 356830137 /nfs/dbraw/zinc/83/01/37/356830137.db2.gz ONNLWCDPJBYUBL-UHFFFAOYSA-N 2 2 275.312 0.589 20 0 CCADLP C[C@H]([NH3+])C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000442660675 235826255 /nfs/dbraw/zinc/82/62/55/235826255.db2.gz DMNHRSRIUKCOJE-ZDUSSCGKSA-N 3 2 298.475 0.750 20 0 CCADLP Cc1c[nH+]ccc1N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000359537144 356840526 /nfs/dbraw/zinc/84/05/26/356840526.db2.gz YVPCILNCDBUOAL-UHFFFAOYSA-N 2 2 262.357 0.776 20 0 CCADLP CNC(=O)[C@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)CCO1 ZINC000359656213 356865585 /nfs/dbraw/zinc/86/55/85/356865585.db2.gz VYQBRABNESRFLW-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP CNC(=O)[C@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)CCO1 ZINC000359656213 356865588 /nfs/dbraw/zinc/86/55/88/356865588.db2.gz VYQBRABNESRFLW-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP CNC(=O)[C@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)CCO1 ZINC000359656213 356865590 /nfs/dbraw/zinc/86/55/90/356865590.db2.gz VYQBRABNESRFLW-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP CNC(=O)[C@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)CCO1 ZINC000359656213 356865592 /nfs/dbraw/zinc/86/55/92/356865592.db2.gz VYQBRABNESRFLW-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP CCOCCOC[C@@H](O)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000360180175 356966590 /nfs/dbraw/zinc/96/65/90/356966590.db2.gz GKVDRIKFQRBBLZ-AWEZNQCLSA-N 2 2 293.367 0.838 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)C2([NH+]3CCOCC3)CCC2)CC[N@@H+]1C ZINC000360335750 356993761 /nfs/dbraw/zinc/99/37/61/356993761.db2.gz NQOVRQXQYLTVMG-KGLIPLIRSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)C2([NH+]3CCOCC3)CCC2)CC[N@H+]1C ZINC000360335750 356993765 /nfs/dbraw/zinc/99/37/65/356993765.db2.gz NQOVRQXQYLTVMG-KGLIPLIRSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+](C)CCNC(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000363971973 357074019 /nfs/dbraw/zinc/07/40/19/357074019.db2.gz PNYXETWTFIRHMD-CYBMUJFWSA-N 2 2 276.384 0.976 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366494210 357219085 /nfs/dbraw/zinc/21/90/85/357219085.db2.gz BRQGOFPBYWWPMS-NHYWBVRUSA-N 2 2 294.399 0.391 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366494210 357219090 /nfs/dbraw/zinc/21/90/90/357219090.db2.gz BRQGOFPBYWWPMS-NHYWBVRUSA-N 2 2 294.399 0.391 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366494210 357219095 /nfs/dbraw/zinc/21/90/95/357219095.db2.gz BRQGOFPBYWWPMS-NHYWBVRUSA-N 2 2 294.399 0.391 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366494210 357219098 /nfs/dbraw/zinc/21/90/98/357219098.db2.gz BRQGOFPBYWWPMS-NHYWBVRUSA-N 2 2 294.399 0.391 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366012337 357185543 /nfs/dbraw/zinc/18/55/43/357185543.db2.gz BLQXRAPPVQGGCH-CYBMUJFWSA-N 2 2 269.389 0.260 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366012337 357185545 /nfs/dbraw/zinc/18/55/45/357185545.db2.gz BLQXRAPPVQGGCH-CYBMUJFWSA-N 2 2 269.389 0.260 20 0 CCADLP COC[C@H](CCO)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655726784 412652344 /nfs/dbraw/zinc/65/23/44/412652344.db2.gz PRLYOSJCIYOOJU-UONOGXRCSA-N 2 2 272.389 0.227 20 0 CCADLP CCc1nc(N2CCC[N@H+](CC(=O)NC)CC2)cc(C)[nH+]1 ZINC000376454809 357469333 /nfs/dbraw/zinc/46/93/33/357469333.db2.gz NAQIRIIMOVBHDZ-UHFFFAOYSA-N 2 2 291.399 0.606 20 0 CCADLP CCc1nc(N2CCC[N@@H+](CC(=O)NC)CC2)cc(C)[nH+]1 ZINC000376454809 357469336 /nfs/dbraw/zinc/46/93/36/357469336.db2.gz NAQIRIIMOVBHDZ-UHFFFAOYSA-N 2 2 291.399 0.606 20 0 CCADLP COC(=O)C[C@H]1COCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000376525838 357475255 /nfs/dbraw/zinc/47/52/55/357475255.db2.gz GZGJWIDZHVAFSW-ZDUSSCGKSA-N 2 2 281.356 0.846 20 0 CCADLP COC(=O)C[C@H]1COCC[N@H+]1CCCn1cc[nH+]c1C ZINC000376525838 357475264 /nfs/dbraw/zinc/47/52/64/357475264.db2.gz GZGJWIDZHVAFSW-ZDUSSCGKSA-N 2 2 281.356 0.846 20 0 CCADLP COC(=O)C[C@@H]1COCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000376525837 357476000 /nfs/dbraw/zinc/47/60/00/357476000.db2.gz GZGJWIDZHVAFSW-CYBMUJFWSA-N 2 2 281.356 0.846 20 0 CCADLP COC(=O)C[C@@H]1COCC[N@H+]1CCCn1cc[nH+]c1C ZINC000376525837 357476002 /nfs/dbraw/zinc/47/60/02/357476002.db2.gz GZGJWIDZHVAFSW-CYBMUJFWSA-N 2 2 281.356 0.846 20 0 CCADLP CCN(C)C(=O)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655756484 412656793 /nfs/dbraw/zinc/65/67/93/412656793.db2.gz TUDAVFLKCLHMIC-CYBMUJFWSA-N 2 2 269.389 0.308 20 0 CCADLP CCC[C@]1(CO)CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000377553723 357587975 /nfs/dbraw/zinc/58/79/75/357587975.db2.gz JMFCXEJKWFTZAR-HNNXBMFYSA-N 2 2 283.416 0.245 20 0 CCADLP CCC[C@]1(CO)CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000377553723 357587978 /nfs/dbraw/zinc/58/79/78/357587978.db2.gz JMFCXEJKWFTZAR-HNNXBMFYSA-N 2 2 283.416 0.245 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)CC1 ZINC000377666861 357602013 /nfs/dbraw/zinc/60/20/13/357602013.db2.gz CKBZIEWSEMEQRA-DZGCQCFKSA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)CC1 ZINC000377666861 357602018 /nfs/dbraw/zinc/60/20/18/357602018.db2.gz CKBZIEWSEMEQRA-DZGCQCFKSA-N 2 2 295.427 0.650 20 0 CCADLP CC(C)NC(=O)[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655777347 412658501 /nfs/dbraw/zinc/65/85/01/412658501.db2.gz UEOODIZOAAJOPN-JSGCOSHPSA-N 2 2 283.416 0.742 20 0 CCADLP CC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)NC ZINC000655775268 412658080 /nfs/dbraw/zinc/65/80/80/412658080.db2.gz VBXYDOIISNPSCS-ZIAGYGMSSA-N 2 2 283.416 0.744 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000377942685 357631925 /nfs/dbraw/zinc/63/19/25/357631925.db2.gz CIQGABJGXVGMEK-KGLIPLIRSA-N 2 2 292.383 0.767 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000377942685 357631928 /nfs/dbraw/zinc/63/19/28/357631928.db2.gz CIQGABJGXVGMEK-KGLIPLIRSA-N 2 2 292.383 0.767 20 0 CCADLP COc1nccc(C[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)n1 ZINC000449120088 236017985 /nfs/dbraw/zinc/01/79/85/236017985.db2.gz BKYLXRQTHKUVOM-CQSZACIVSA-N 2 2 294.399 0.668 20 0 CCADLP C[C@@H]([NH2+]C1CC1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000449115104 236018382 /nfs/dbraw/zinc/01/83/82/236018382.db2.gz KRJKWKKXEUUSOE-LLVKDONJSA-N 2 2 269.389 0.354 20 0 CCADLP C[C@@H]([NH2+]C1CC1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000449115104 236018384 /nfs/dbraw/zinc/01/83/84/236018384.db2.gz KRJKWKKXEUUSOE-LLVKDONJSA-N 2 2 269.389 0.354 20 0 CCADLP C[C@@]1(O)C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655776180 412658320 /nfs/dbraw/zinc/65/83/20/412658320.db2.gz JLQGITNRFQARPF-MCIONIFRSA-N 2 2 254.374 0.743 20 0 CCADLP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000382171363 357712162 /nfs/dbraw/zinc/71/21/62/357712162.db2.gz QEXZEKUYLLGLIN-ZDUSSCGKSA-N 3 2 252.362 0.238 20 0 CCADLP Nc1cc[nH+]cc1C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449656087 236043828 /nfs/dbraw/zinc/04/38/28/236043828.db2.gz JDDALJNLRGFTLD-MRVPVSSYSA-N 2 2 270.283 0.469 20 0 CCADLP C[C@H]1C[N@H+](CCO)CCN1c1[nH+]cnc2[nH]ccc21 ZINC000450951865 236124145 /nfs/dbraw/zinc/12/41/45/236124145.db2.gz GRPQGHGSCCPSSV-JTQLQIEISA-N 2 2 261.329 0.461 20 0 CCADLP C[C@H]1C[N@@H+](CCO)CCN1c1[nH+]cnc2[nH]ccc21 ZINC000450951865 236124146 /nfs/dbraw/zinc/12/41/46/236124146.db2.gz GRPQGHGSCCPSSV-JTQLQIEISA-N 2 2 261.329 0.461 20 0 CCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1CC[N@@H+]1CCCOCC1 ZINC000361395805 291130326 /nfs/dbraw/zinc/13/03/26/291130326.db2.gz QBYQTBNXSCFKRF-HOTGVXAUSA-N 2 2 297.443 0.504 20 0 CCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1CC[N@H+]1CCCOCC1 ZINC000361395805 291130328 /nfs/dbraw/zinc/13/03/28/291130328.db2.gz QBYQTBNXSCFKRF-HOTGVXAUSA-N 2 2 297.443 0.504 20 0 CCADLP CC[NH+](CC)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC000561500575 291130678 /nfs/dbraw/zinc/13/06/78/291130678.db2.gz AOOIXYRKJBJECU-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1[nH+]ccn1C ZINC000408434915 358092790 /nfs/dbraw/zinc/09/27/90/358092790.db2.gz JUIJMGPMRJKLAA-NEPJUHHUSA-N 2 2 279.388 0.902 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1[nH+]ccn1C ZINC000408434915 358092794 /nfs/dbraw/zinc/09/27/94/358092794.db2.gz JUIJMGPMRJKLAA-NEPJUHHUSA-N 2 2 279.388 0.902 20 0 CCADLP C[NH2+]C[C@H]1CCCN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000417528793 358134352 /nfs/dbraw/zinc/13/43/52/358134352.db2.gz PXHNLUODADMRLT-UONOGXRCSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH2+]C[C@H]1CCCN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC000417528793 358134357 /nfs/dbraw/zinc/13/43/57/358134357.db2.gz PXHNLUODADMRLT-UONOGXRCSA-N 2 2 298.431 0.348 20 0 CCADLP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420352035 358180003 /nfs/dbraw/zinc/18/00/03/358180003.db2.gz LPICFHKCTPYNBO-CABCVRRESA-N 2 2 293.411 0.848 20 0 CCADLP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420352035 358180008 /nfs/dbraw/zinc/18/00/08/358180008.db2.gz LPICFHKCTPYNBO-CABCVRRESA-N 2 2 293.411 0.848 20 0 CCADLP C[NH2+]CCC[N@H+](C)[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000420386394 358181348 /nfs/dbraw/zinc/18/13/48/358181348.db2.gz IIPFEAFGPSGCKQ-LBPRGKRZSA-N 2 2 279.388 0.457 20 0 CCADLP C[NH2+]CCC[N@@H+](C)[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000420386394 358181350 /nfs/dbraw/zinc/18/13/50/358181350.db2.gz IIPFEAFGPSGCKQ-LBPRGKRZSA-N 2 2 279.388 0.457 20 0 CCADLP C[NH2+]CCC[N@H+](C)[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000420386850 358181375 /nfs/dbraw/zinc/18/13/75/358181375.db2.gz JDGGRIZBSSUYFL-ZDUSSCGKSA-N 2 2 279.388 0.457 20 0 CCADLP C[NH2+]CCC[N@@H+](C)[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000420386850 358181379 /nfs/dbraw/zinc/18/13/79/358181379.db2.gz JDGGRIZBSSUYFL-ZDUSSCGKSA-N 2 2 279.388 0.457 20 0 CCADLP C[NH2+]CCC[N@H+](C)[C@H](C)C(=O)NC(=O)NCC(C)C ZINC000420390306 358181521 /nfs/dbraw/zinc/18/15/21/358181521.db2.gz QBSXFZIXRGRPEC-LLVKDONJSA-N 2 2 272.393 0.398 20 0 CCADLP C[NH2+]CCC[N@@H+](C)[C@H](C)C(=O)NC(=O)NCC(C)C ZINC000420390306 358181526 /nfs/dbraw/zinc/18/15/26/358181526.db2.gz QBSXFZIXRGRPEC-LLVKDONJSA-N 2 2 272.393 0.398 20 0 CCADLP O=C(NC1CC[NH2+]CC1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000422696750 358191616 /nfs/dbraw/zinc/19/16/16/358191616.db2.gz SGQONOPTHMXVRZ-AWEZNQCLSA-N 2 2 281.400 0.356 20 0 CCADLP O=C(NC1CC[NH2+]CC1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000422696750 358191620 /nfs/dbraw/zinc/19/16/20/358191620.db2.gz SGQONOPTHMXVRZ-AWEZNQCLSA-N 2 2 281.400 0.356 20 0 CCADLP c1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)CO2 ZINC000423541795 358201532 /nfs/dbraw/zinc/20/15/32/358201532.db2.gz AXJSKRKLJKPHHZ-UONOGXRCSA-N 2 2 262.353 0.958 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](CCn2c(C)csc2=O)C1 ZINC000430918416 358229161 /nfs/dbraw/zinc/22/91/61/358229161.db2.gz MRSIAISVZYVKMI-NSHDSACASA-N 2 2 255.387 0.760 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](CCn2c(C)csc2=O)C1 ZINC000430918416 358229164 /nfs/dbraw/zinc/22/91/64/358229164.db2.gz MRSIAISVZYVKMI-NSHDSACASA-N 2 2 255.387 0.760 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000434266031 358233322 /nfs/dbraw/zinc/23/33/22/358233322.db2.gz JGPVFUPEZIYYHV-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000434266031 358233325 /nfs/dbraw/zinc/23/33/25/358233325.db2.gz JGPVFUPEZIYYHV-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H](C[NH3+])[N@H+](C)CCc1nnnn1-c1ccccc1 ZINC000433492297 358233757 /nfs/dbraw/zinc/23/37/57/358233757.db2.gz SWXJSFATWIHDHE-LLVKDONJSA-N 2 2 260.345 0.484 20 0 CCADLP C[C@H](C[NH3+])[N@@H+](C)CCc1nnnn1-c1ccccc1 ZINC000433492297 358233762 /nfs/dbraw/zinc/23/37/62/358233762.db2.gz SWXJSFATWIHDHE-LLVKDONJSA-N 2 2 260.345 0.484 20 0 CCADLP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cn1cc[nH+]c1 ZINC000562274597 291141249 /nfs/dbraw/zinc/14/12/49/291141249.db2.gz BIRFVFFWKDDVEG-NWDGAFQWSA-N 2 2 250.346 0.682 20 0 CCADLP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)Cn1cc[nH+]c1 ZINC000562274597 291141252 /nfs/dbraw/zinc/14/12/52/291141252.db2.gz BIRFVFFWKDDVEG-NWDGAFQWSA-N 2 2 250.346 0.682 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150825934 283360837 /nfs/dbraw/zinc/36/08/37/283360837.db2.gz OUAGVSWHXPVMTQ-VXGBXAGGSA-N 2 2 282.388 0.248 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150825934 283360844 /nfs/dbraw/zinc/36/08/44/283360844.db2.gz OUAGVSWHXPVMTQ-VXGBXAGGSA-N 2 2 282.388 0.248 20 0 CCADLP [NH3+][C@@H]1C[C@H]2CN(c3cc[nH+]c4ccncc43)CCN2C1=O ZINC000516089124 358339377 /nfs/dbraw/zinc/33/93/77/358339377.db2.gz PGVWZJGOJPDNEZ-CMPLNLGQSA-N 2 2 283.335 0.378 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000562444430 291152426 /nfs/dbraw/zinc/15/24/26/291152426.db2.gz QKSKCNWDZMSCPT-OAHLLOKOSA-N 2 2 297.443 0.776 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000562444430 291152428 /nfs/dbraw/zinc/15/24/28/291152428.db2.gz QKSKCNWDZMSCPT-OAHLLOKOSA-N 2 2 297.443 0.776 20 0 CCADLP COC(=O)[C@H]1C[C@H](OC)C[N@H+]1CCCc1c[nH+]cn1C ZINC000565547501 358563422 /nfs/dbraw/zinc/56/34/22/358563422.db2.gz BPUOWFPPGQBIGL-QWHCGFSZSA-N 2 2 281.356 0.615 20 0 CCADLP COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000565547501 358563424 /nfs/dbraw/zinc/56/34/24/358563424.db2.gz BPUOWFPPGQBIGL-QWHCGFSZSA-N 2 2 281.356 0.615 20 0 CCADLP C[C@@H](C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)CS(C)(=O)=O ZINC000567889357 358606836 /nfs/dbraw/zinc/60/68/36/358606836.db2.gz PGIJYFWQJZOSDE-QWHCGFSZSA-N 2 2 274.430 0.743 20 0 CCADLP C[C@@H](C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)CS(C)(=O)=O ZINC000567889357 358606837 /nfs/dbraw/zinc/60/68/37/358606837.db2.gz PGIJYFWQJZOSDE-QWHCGFSZSA-N 2 2 274.430 0.743 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC(C)(C)OC[C@@H]1C ZINC000568167505 358640069 /nfs/dbraw/zinc/64/00/69/358640069.db2.gz HOSLSDAOZQJGCG-STQMWFEESA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000568167505 358640070 /nfs/dbraw/zinc/64/00/70/358640070.db2.gz HOSLSDAOZQJGCG-STQMWFEESA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000568167505 358640072 /nfs/dbraw/zinc/64/00/72/358640072.db2.gz HOSLSDAOZQJGCG-STQMWFEESA-N 2 2 274.405 0.425 20 0 CCADLP [NH3+][C@@H](C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)c1cscn1 ZINC000567817124 358590765 /nfs/dbraw/zinc/59/07/65/358590765.db2.gz NBXYBYIQVWMMOJ-WCQYABFASA-N 2 2 294.424 0.991 20 0 CCADLP CC(C)(C)n1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cn1 ZINC000568259659 358658765 /nfs/dbraw/zinc/65/87/65/358658765.db2.gz IPNFXZLDAWGUMK-QWHCGFSZSA-N 2 2 291.399 0.382 20 0 CCADLP CC(C)(C)n1cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cn1 ZINC000568259659 358658766 /nfs/dbraw/zinc/65/87/66/358658766.db2.gz IPNFXZLDAWGUMK-QWHCGFSZSA-N 2 2 291.399 0.382 20 0 CCADLP CC1(C)C[NH+](CC(=O)NC[C@@H]2CCCC[N@H+]2CCO)C1 ZINC000568410915 358673640 /nfs/dbraw/zinc/67/36/40/358673640.db2.gz BRXCWKKAZFPBMT-ZDUSSCGKSA-N 2 2 283.416 0.291 20 0 CCADLP CO[C@@H]1CCC[C@H]1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000568609765 358688106 /nfs/dbraw/zinc/68/81/06/358688106.db2.gz LRLDJCFNYQUONN-YNEHKIRRSA-N 2 2 284.404 0.086 20 0 CCADLP CO[C@@H]1CCC[C@H]1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000568609765 358688111 /nfs/dbraw/zinc/68/81/11/358688111.db2.gz LRLDJCFNYQUONN-YNEHKIRRSA-N 2 2 284.404 0.086 20 0 CCADLP Cc1cc(NC(=O)NC[C@@H]2C[NH2+]CCCO2)c(C)c[nH+]1 ZINC000570062095 358820015 /nfs/dbraw/zinc/82/00/15/358820015.db2.gz QDUBGEHUYBYTJG-LBPRGKRZSA-N 2 2 278.356 0.620 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000570208269 358833334 /nfs/dbraw/zinc/83/33/34/358833334.db2.gz UUVWKQQWOVVWFU-LBPRGKRZSA-N 2 2 291.399 0.205 20 0 CCADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]([NH3+])c1cscn1 ZINC000570568832 358870913 /nfs/dbraw/zinc/87/09/13/358870913.db2.gz NQLBGALORGJWQI-MWLCHTKSSA-N 2 2 270.402 0.975 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)OC2(CCC2)C1 ZINC000570643481 358879072 /nfs/dbraw/zinc/87/90/72/358879072.db2.gz XTOTUAYJWFNYRW-STQMWFEESA-N 2 2 256.390 0.942 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)OC2(CCC2)C1 ZINC000570643481 358879076 /nfs/dbraw/zinc/87/90/76/358879076.db2.gz XTOTUAYJWFNYRW-STQMWFEESA-N 2 2 256.390 0.942 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000570643481 358879077 /nfs/dbraw/zinc/87/90/77/358879077.db2.gz XTOTUAYJWFNYRW-STQMWFEESA-N 2 2 256.390 0.942 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000570643481 358879080 /nfs/dbraw/zinc/87/90/80/358879080.db2.gz XTOTUAYJWFNYRW-STQMWFEESA-N 2 2 256.390 0.942 20 0 CCADLP COc1c(N)[nH+]cnc1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000570986048 358901379 /nfs/dbraw/zinc/90/13/79/358901379.db2.gz ZDJQMNSZFVETRO-LLVKDONJSA-N 2 2 277.372 0.918 20 0 CCADLP COc1c(N)[nH+]cnc1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000570986048 358901382 /nfs/dbraw/zinc/90/13/82/358901382.db2.gz ZDJQMNSZFVETRO-LLVKDONJSA-N 2 2 277.372 0.918 20 0 CCADLP CCn1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)n1 ZINC000571073210 358909923 /nfs/dbraw/zinc/90/99/23/358909923.db2.gz GLUCSFASKYSHIO-UONOGXRCSA-N 2 2 264.373 0.760 20 0 CCADLP C[N@@H+]1CCC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC000573380075 358962362 /nfs/dbraw/zinc/96/23/62/358962362.db2.gz DHHLXBJXYCWCQT-LBPRGKRZSA-N 2 2 250.346 0.731 20 0 CCADLP C[N@H+]1CCC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC000573380075 358962366 /nfs/dbraw/zinc/96/23/66/358962366.db2.gz DHHLXBJXYCWCQT-LBPRGKRZSA-N 2 2 250.346 0.731 20 0 CCADLP COc1cccnc1C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000573454638 358968820 /nfs/dbraw/zinc/96/88/20/358968820.db2.gz ULNRMMCSWFGHAX-NWDGAFQWSA-N 2 2 265.357 0.947 20 0 CCADLP CC(C)N1CC[C@H]([NH+]2CCN(c3[nH]cc[nH+]3)CC2)C1=O ZINC000573184503 358944996 /nfs/dbraw/zinc/94/49/96/358944996.db2.gz GSHJXYPWGDBHDS-LBPRGKRZSA-N 2 2 277.372 0.541 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000574041090 359022981 /nfs/dbraw/zinc/02/29/81/359022981.db2.gz CGSNBKOZPOUFJE-GFCCVEGCSA-N 2 2 250.346 0.824 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000574041090 359022988 /nfs/dbraw/zinc/02/29/88/359022988.db2.gz CGSNBKOZPOUFJE-GFCCVEGCSA-N 2 2 250.346 0.824 20 0 CCADLP C[C@@H]1CCC[C@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000576253807 359046341 /nfs/dbraw/zinc/04/63/41/359046341.db2.gz BQONTEZKEQEMMF-FRRDWIJNSA-N 2 2 268.405 0.849 20 0 CCADLP C[C@@H]1CCC[C@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000576253807 359046345 /nfs/dbraw/zinc/04/63/45/359046345.db2.gz BQONTEZKEQEMMF-FRRDWIJNSA-N 2 2 268.405 0.849 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000573625672 358985803 /nfs/dbraw/zinc/98/58/03/358985803.db2.gz ANVVXKZKZAKDFD-KOLCDFICSA-N 2 2 251.334 0.549 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000573625672 358985804 /nfs/dbraw/zinc/98/58/04/358985804.db2.gz ANVVXKZKZAKDFD-KOLCDFICSA-N 2 2 251.334 0.549 20 0 CCADLP C[N@@H+]1CCN(C(=O)CN2CCc3ccccc32)[C@H](C[NH3+])C1 ZINC000579830021 359050654 /nfs/dbraw/zinc/05/06/54/359050654.db2.gz DPEYTZWGWHSHIC-CQSZACIVSA-N 2 2 288.395 0.150 20 0 CCADLP C[N@H+]1CCN(C(=O)CN2CCc3ccccc32)[C@H](C[NH3+])C1 ZINC000579830021 359050658 /nfs/dbraw/zinc/05/06/58/359050658.db2.gz DPEYTZWGWHSHIC-CQSZACIVSA-N 2 2 288.395 0.150 20 0 CCADLP COc1c(N)[nH+]cnc1NCCCn1cc[nH+]c1C ZINC000573816180 359002652 /nfs/dbraw/zinc/00/26/52/359002652.db2.gz ZQVGGLBXSCBHRX-UHFFFAOYSA-N 2 2 262.317 0.496 20 0 CCADLP COc1c(N)nc[nH+]c1NCCCn1cc[nH+]c1C ZINC000573816180 359002656 /nfs/dbraw/zinc/00/26/56/359002656.db2.gz ZQVGGLBXSCBHRX-UHFFFAOYSA-N 2 2 262.317 0.496 20 0 CCADLP C[C@@H]1C[C@@H](CCNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CCO1 ZINC000573905214 359010082 /nfs/dbraw/zinc/01/00/82/359010082.db2.gz DSDOKKXQCGMYOE-RDBSUJKOSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H]1C[C@@H](CCNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CCO1 ZINC000573905214 359010084 /nfs/dbraw/zinc/01/00/84/359010084.db2.gz DSDOKKXQCGMYOE-RDBSUJKOSA-N 2 2 298.431 0.476 20 0 CCADLP [NH3+]C[C@H]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000580832844 359098439 /nfs/dbraw/zinc/09/84/39/359098439.db2.gz GGABXFVXOBTQGT-QWRGUYRKSA-N 2 2 286.339 0.520 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCNS(=O)(=O)c1ccccc1 ZINC000580841558 359100387 /nfs/dbraw/zinc/10/03/87/359100387.db2.gz TWBOWPIOKDRZLW-CHWSQXEVSA-N 2 2 297.424 0.777 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCNS(=O)(=O)c1ccccc1 ZINC000580841558 359100389 /nfs/dbraw/zinc/10/03/89/359100389.db2.gz TWBOWPIOKDRZLW-CHWSQXEVSA-N 2 2 297.424 0.777 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1)C1CC1 ZINC000579896125 359059651 /nfs/dbraw/zinc/05/96/51/359059651.db2.gz DXZBXRSSFVUKBD-GFCCVEGCSA-N 2 2 295.387 0.145 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(c2n[nH]c(=O)[nH]2)CC1)C1CC1 ZINC000579896125 359059656 /nfs/dbraw/zinc/05/96/56/359059656.db2.gz DXZBXRSSFVUKBD-GFCCVEGCSA-N 2 2 295.387 0.145 20 0 CCADLP C[N@H+](CCNC(=O)N1CC[NH+](C)C[C@H]1C[NH3+])C1CCCC1 ZINC000579931244 359062966 /nfs/dbraw/zinc/06/29/66/359062966.db2.gz WRXFSOAVKTXVSK-CQSZACIVSA-N 3 2 297.447 0.145 20 0 CCADLP C[N@@H+](CCNC(=O)N1CC[NH+](C)C[C@H]1C[NH3+])C1CCCC1 ZINC000579931244 359062971 /nfs/dbraw/zinc/06/29/71/359062971.db2.gz WRXFSOAVKTXVSK-CQSZACIVSA-N 3 2 297.447 0.145 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@](O)(C(F)F)C1 ZINC000582368886 359139699 /nfs/dbraw/zinc/13/96/99/359139699.db2.gz UOEDLGOSHCLUIL-KOLCDFICSA-N 2 2 252.305 0.001 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@](O)(C(F)F)C1 ZINC000582368886 359139701 /nfs/dbraw/zinc/13/97/01/359139701.db2.gz UOEDLGOSHCLUIL-KOLCDFICSA-N 2 2 252.305 0.001 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000582368886 359139702 /nfs/dbraw/zinc/13/97/02/359139702.db2.gz UOEDLGOSHCLUIL-KOLCDFICSA-N 2 2 252.305 0.001 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000582368886 359139703 /nfs/dbraw/zinc/13/97/03/359139703.db2.gz UOEDLGOSHCLUIL-KOLCDFICSA-N 2 2 252.305 0.001 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](OCCOC)C1 ZINC000582428602 359148060 /nfs/dbraw/zinc/14/80/60/359148060.db2.gz UMGQAEHDOYUMTF-STQMWFEESA-N 2 2 260.378 0.036 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](OCCOC)C1 ZINC000582428602 359148067 /nfs/dbraw/zinc/14/80/67/359148067.db2.gz UMGQAEHDOYUMTF-STQMWFEESA-N 2 2 260.378 0.036 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](OCCOC)C1 ZINC000582428602 359148069 /nfs/dbraw/zinc/14/80/69/359148069.db2.gz UMGQAEHDOYUMTF-STQMWFEESA-N 2 2 260.378 0.036 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](OCCOC)C1 ZINC000582428602 359148074 /nfs/dbraw/zinc/14/80/74/359148074.db2.gz UMGQAEHDOYUMTF-STQMWFEESA-N 2 2 260.378 0.036 20 0 CCADLP O=C1NCC[C@@H]1CC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000583212134 359152576 /nfs/dbraw/zinc/15/25/76/359152576.db2.gz KHWFNPAZKSWZLI-GFCCVEGCSA-N 2 2 277.372 0.054 20 0 CCADLP C[N@H+]1CCN(C(=O)NCc2ccoc2)[C@@H](C[NH3+])C1 ZINC000584042622 359160321 /nfs/dbraw/zinc/16/03/21/359160321.db2.gz HCPQWKZOYSZZLA-NSHDSACASA-N 2 2 252.318 0.064 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1nnc(C(C)(C)C)[nH]1 ZINC000562956832 291174934 /nfs/dbraw/zinc/17/49/34/291174934.db2.gz OHMTWYPXGYCIHZ-MNOVXSKESA-N 2 2 281.404 0.959 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]CCC(=O)NC(N)=O ZINC000562993234 291179075 /nfs/dbraw/zinc/17/90/75/291179075.db2.gz BNPXLXZKLIYAHH-SNVBAGLBSA-N 2 2 256.350 0.035 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]CCC(=O)NC(N)=O ZINC000562993234 291179076 /nfs/dbraw/zinc/17/90/76/291179076.db2.gz BNPXLXZKLIYAHH-SNVBAGLBSA-N 2 2 256.350 0.035 20 0 CCADLP C[NH+]1CCN(CCCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC000591108492 359559837 /nfs/dbraw/zinc/55/98/37/359559837.db2.gz DYQWVQISBVTRFV-UHFFFAOYSA-N 2 2 293.415 0.417 20 0 CCADLP CN1CC[NH+](CCCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC000591108492 359559840 /nfs/dbraw/zinc/55/98/40/359559840.db2.gz DYQWVQISBVTRFV-UHFFFAOYSA-N 2 2 293.415 0.417 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000297087746 200081590 /nfs/dbraw/zinc/08/15/90/200081590.db2.gz MNWJAOZWGUPWNO-LBPRGKRZSA-N 2 2 280.372 0.371 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000492916035 237342886 /nfs/dbraw/zinc/34/28/86/237342886.db2.gz ZNWSINKRWGXZLU-BKGLOODYSA-N 2 2 278.356 0.336 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000492916035 237342891 /nfs/dbraw/zinc/34/28/91/237342891.db2.gz ZNWSINKRWGXZLU-BKGLOODYSA-N 2 2 278.356 0.336 20 0 CCADLP CC(C)[C@@H](C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[NH+](C)C ZINC000592433719 359839672 /nfs/dbraw/zinc/83/96/72/359839672.db2.gz PRTMDVOCSUZESR-CABCVRRESA-N 2 2 297.443 0.896 20 0 CCADLP Nc1ccc(NC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)c[nH+]1 ZINC000592467976 359847169 /nfs/dbraw/zinc/84/71/69/359847169.db2.gz IPSYWOLHJIRESC-SECBINFHSA-N 2 2 286.339 0.779 20 0 CCADLP [NH3+]C[C@H](NC(=O)N1CCn2cc[nH+]c2C1)C(F)(F)F ZINC000655918066 412694132 /nfs/dbraw/zinc/69/41/32/412694132.db2.gz DQAQAWOUYYYTPV-ZETCQYMHSA-N 2 2 277.250 0.298 20 0 CCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[NH+]2CCC1CC2 ZINC000563203319 291205190 /nfs/dbraw/zinc/20/51/90/291205190.db2.gz UVBFAWRQYDFPOJ-GFCCVEGCSA-N 2 2 274.368 0.752 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655920212 412696239 /nfs/dbraw/zinc/69/62/39/412696239.db2.gz FIVKIFCWPSTCKA-SSDOTTSWSA-N 2 2 279.266 0.451 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)C2([NH+]3CCOCC3)CCC2)CC[NH2+]1 ZINC000621155917 366655354 /nfs/dbraw/zinc/65/53/54/366655354.db2.gz OVJPKZDWVVCIIA-AWEZNQCLSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCN(C(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000298068055 200326916 /nfs/dbraw/zinc/32/69/16/200326916.db2.gz JABULTGWCVJJNA-UHFFFAOYSA-N 2 2 287.367 0.834 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC[NH2+]1 ZINC000621159148 366661044 /nfs/dbraw/zinc/66/10/44/366661044.db2.gz DIMZANWDTWQPNW-JSGCOSHPSA-N 2 2 276.384 0.902 20 0 CCADLP COCCOCC[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000563367100 291218568 /nfs/dbraw/zinc/21/85/68/291218568.db2.gz WTAVPMFAPCZLKD-AWEZNQCLSA-N 2 2 286.416 0.835 20 0 CCADLP COCCOCC[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000563367100 291218570 /nfs/dbraw/zinc/21/85/70/291218570.db2.gz WTAVPMFAPCZLKD-AWEZNQCLSA-N 2 2 286.416 0.835 20 0 CCADLP COCCOCC[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000563367103 291218736 /nfs/dbraw/zinc/21/87/36/291218736.db2.gz WTAVPMFAPCZLKD-CQSZACIVSA-N 2 2 286.416 0.835 20 0 CCADLP COCCOCC[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000563367103 291218739 /nfs/dbraw/zinc/21/87/39/291218739.db2.gz WTAVPMFAPCZLKD-CQSZACIVSA-N 2 2 286.416 0.835 20 0 CCADLP Cc1cc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[nH]n1 ZINC000177125375 189030870 /nfs/dbraw/zinc/03/08/70/189030870.db2.gz UZNWQORGLFQPKQ-UHFFFAOYSA-N 2 2 279.388 0.474 20 0 CCADLP CS[C@H](CO)[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000594494558 360323508 /nfs/dbraw/zinc/32/35/08/360323508.db2.gz COWHKCUZHIZZDJ-IACUBPJLSA-N 2 2 288.457 0.942 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000563397006 291223030 /nfs/dbraw/zinc/22/30/30/291223030.db2.gz IYIGFTJGWMZDCC-OLZOCXBDSA-N 2 2 253.390 0.879 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000563397006 291223031 /nfs/dbraw/zinc/22/30/31/291223031.db2.gz IYIGFTJGWMZDCC-OLZOCXBDSA-N 2 2 253.390 0.879 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000594927322 360418198 /nfs/dbraw/zinc/41/81/98/360418198.db2.gz WFKUCLYJLSVSSM-YNEHKIRRSA-N 2 2 284.400 0.884 20 0 CCADLP C[S@@](=O)C1(C[NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000594937587 360421098 /nfs/dbraw/zinc/42/10/98/360421098.db2.gz RBGYJBUBFDITCH-QGZVFWFLSA-N 2 2 253.371 0.830 20 0 CCADLP CS[C@H]1CN(Cc2cn(C)c[nH+]2)C[C@H]1[NH+](C)C ZINC000595404735 360522496 /nfs/dbraw/zinc/52/24/96/360522496.db2.gz UHJOJJPSIJPVOS-NEPJUHHUSA-N 2 2 254.403 0.898 20 0 CCADLP CCC[C@@](C)([NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1)C(=O)OC ZINC000595890049 360691502 /nfs/dbraw/zinc/69/15/02/360691502.db2.gz BAEOLRJUFJHJNC-WCQYABFASA-N 2 2 270.373 0.829 20 0 CCADLP COC(=O)CC[N@H+](CC(C)C)C[C@@H]1C[NH2+]CCO1 ZINC000595893088 360693170 /nfs/dbraw/zinc/69/31/70/360693170.db2.gz OZBBUZVNEKCCAL-LBPRGKRZSA-N 2 2 258.362 0.496 20 0 CCADLP COC(=O)CC[N@@H+](CC(C)C)C[C@@H]1C[NH2+]CCO1 ZINC000595893088 360693176 /nfs/dbraw/zinc/69/31/76/360693176.db2.gz OZBBUZVNEKCCAL-LBPRGKRZSA-N 2 2 258.362 0.496 20 0 CCADLP [NH3+]CC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000178853578 189150528 /nfs/dbraw/zinc/15/05/28/189150528.db2.gz ZGKUXQNBTONGSE-UHFFFAOYSA-N 2 2 258.325 0.701 20 0 CCADLP O=C(/C=C/c1[nH]cc[nH+]1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000493577086 238220103 /nfs/dbraw/zinc/22/01/03/238220103.db2.gz FKIDVGGYTBYJIH-ITKZLYELSA-N 2 2 278.356 0.386 20 0 CCADLP O=C(/C=C/c1[nH]cc[nH+]1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000493577086 238220104 /nfs/dbraw/zinc/22/01/04/238220104.db2.gz FKIDVGGYTBYJIH-ITKZLYELSA-N 2 2 278.356 0.386 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC2CC(C(F)(F)F)C2)[C@H](C[NH3+])C1 ZINC000563592805 291239933 /nfs/dbraw/zinc/23/99/33/291239933.db2.gz WBYDSINHAQZUAZ-UDNWOFFPSA-N 2 2 294.321 0.612 20 0 CCADLP C[N@H+]1CCN(C(=O)NC2CC(C(F)(F)F)C2)[C@H](C[NH3+])C1 ZINC000563592805 291239936 /nfs/dbraw/zinc/23/99/36/291239936.db2.gz WBYDSINHAQZUAZ-UDNWOFFPSA-N 2 2 294.321 0.612 20 0 CCADLP CCOC[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C(C)C ZINC000563593719 291240001 /nfs/dbraw/zinc/24/00/01/291240001.db2.gz PBTQCZRRKIDNGO-QWHCGFSZSA-N 2 2 286.420 0.332 20 0 CCADLP CCOC[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C(C)C ZINC000563593719 291240002 /nfs/dbraw/zinc/24/00/02/291240002.db2.gz PBTQCZRRKIDNGO-QWHCGFSZSA-N 2 2 286.420 0.332 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C2([NH+](C)C)CC2)C[C@H]1C ZINC000597467195 361105403 /nfs/dbraw/zinc/10/54/03/361105403.db2.gz BUUIVZIPWNIPKW-GFCCVEGCSA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)C2([NH+](C)C)CC2)C[C@H]1C ZINC000597467195 361105407 /nfs/dbraw/zinc/10/54/07/361105407.db2.gz BUUIVZIPWNIPKW-GFCCVEGCSA-N 2 2 297.399 0.176 20 0 CCADLP CNS(=O)(=O)CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000621267054 366692718 /nfs/dbraw/zinc/69/27/18/366692718.db2.gz KQDFOOZNSMQGPV-SNVBAGLBSA-N 2 2 272.374 0.138 20 0 CCADLP CNS(=O)(=O)CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000621267054 366692723 /nfs/dbraw/zinc/69/27/23/366692723.db2.gz KQDFOOZNSMQGPV-SNVBAGLBSA-N 2 2 272.374 0.138 20 0 CCADLP [NH3+]CC1(O)CC[NH+](Cc2nc(C3CCC3)no2)CC1 ZINC000631828603 370694570 /nfs/dbraw/zinc/69/45/70/370694570.db2.gz SUWGCHYTMJXZFK-UHFFFAOYSA-N 2 2 266.345 0.623 20 0 CCADLP CCCn1nccc1NC(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000631822754 370687963 /nfs/dbraw/zinc/68/79/63/370687963.db2.gz NMNUZBALDUZPEL-AWEZNQCLSA-N 2 2 279.388 0.949 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000564139736 291267571 /nfs/dbraw/zinc/26/75/71/291267571.db2.gz DGWDKYGEJBFPSA-ZIAGYGMSSA-N 2 2 292.383 0.643 20 0 CCADLP C[C@H]1CC[N@H+](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000611751458 363776091 /nfs/dbraw/zinc/77/60/91/363776091.db2.gz WGFORRBWKVRRLN-STQMWFEESA-N 2 2 276.384 0.904 20 0 CCADLP C[C@H]1CC[N@@H+](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000611751458 363776092 /nfs/dbraw/zinc/77/60/92/363776092.db2.gz WGFORRBWKVRRLN-STQMWFEESA-N 2 2 276.384 0.904 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621667560 366825608 /nfs/dbraw/zinc/82/56/08/366825608.db2.gz GJIWBFTVBRLVOG-OAHLLOKOSA-N 3 2 298.475 0.766 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621667560 366825612 /nfs/dbraw/zinc/82/56/12/366825612.db2.gz GJIWBFTVBRLVOG-OAHLLOKOSA-N 3 2 298.475 0.766 20 0 CCADLP c1cc2c(c(C[NH2+]C[C@@H]3C[NH2+]CCCO3)c1)OCO2 ZINC000564305902 291273855 /nfs/dbraw/zinc/27/38/55/291273855.db2.gz QXMUNACTGQNLIG-LBPRGKRZSA-N 2 2 264.325 0.883 20 0 CCADLP CC(C)(C)[NH2+]CCNC(=O)[C@H]([NH3+])c1cscn1 ZINC000564449183 291279964 /nfs/dbraw/zinc/27/99/64/291279964.db2.gz ANSYRRRNLOHVMX-SECBINFHSA-N 2 2 256.375 0.647 20 0 CCADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC000631829194 370695970 /nfs/dbraw/zinc/69/59/70/370695970.db2.gz JRNKQFRLBWZUJN-JHJVBQTASA-N 2 2 251.374 0.999 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000599301409 361641675 /nfs/dbraw/zinc/64/16/75/361641675.db2.gz UYIYXHLKAKKFKM-CABCVRRESA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH+]1CCOCC1 ZINC000599301409 361641679 /nfs/dbraw/zinc/64/16/79/361641679.db2.gz UYIYXHLKAKKFKM-CABCVRRESA-N 2 2 297.443 0.944 20 0 CCADLP CCN(CC(F)(F)F)C(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000631829654 370696931 /nfs/dbraw/zinc/69/69/31/370696931.db2.gz WXVWOAKXTBUTCQ-UHFFFAOYSA-N 2 2 297.321 0.101 20 0 CCADLP C[NH+](C)C1(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000612013858 363829771 /nfs/dbraw/zinc/82/97/71/363829771.db2.gz CSVFRNFOULMDQH-CYBMUJFWSA-N 2 2 281.400 0.261 20 0 CCADLP CCn1cccc(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)c1=O ZINC000564724188 291295333 /nfs/dbraw/zinc/29/53/33/291295333.db2.gz YKUJXAVKCYLZLG-AWEZNQCLSA-N 2 2 279.384 0.413 20 0 CCADLP CCn1cccc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c1=O ZINC000564724188 291295335 /nfs/dbraw/zinc/29/53/35/291295335.db2.gz YKUJXAVKCYLZLG-AWEZNQCLSA-N 2 2 279.384 0.413 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612997077 364081600 /nfs/dbraw/zinc/08/16/00/364081600.db2.gz UYYQASPPUVCDFB-LLVKDONJSA-N 2 2 263.345 0.693 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612997077 364081604 /nfs/dbraw/zinc/08/16/04/364081604.db2.gz UYYQASPPUVCDFB-LLVKDONJSA-N 2 2 263.345 0.693 20 0 CCADLP [NH3+][C@H]1CCCCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000631835433 370700444 /nfs/dbraw/zinc/70/04/44/370700444.db2.gz USSHABUIAPOLFN-STQMWFEESA-N 3 2 253.390 0.711 20 0 CCADLP [NH3+][C@H]1CCCCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000631835433 370700448 /nfs/dbraw/zinc/70/04/48/370700448.db2.gz USSHABUIAPOLFN-STQMWFEESA-N 3 2 253.390 0.711 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)NCC1CC1 ZINC000631886051 370736997 /nfs/dbraw/zinc/73/69/97/370736997.db2.gz DQGQICVCBVPQBA-OLZOCXBDSA-N 2 2 251.374 0.587 20 0 CCADLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)NCC1CC1 ZINC000631886051 370736999 /nfs/dbraw/zinc/73/69/99/370736999.db2.gz DQGQICVCBVPQBA-OLZOCXBDSA-N 2 2 251.374 0.587 20 0 CCADLP Cn1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1=O ZINC000631887971 370738165 /nfs/dbraw/zinc/73/81/65/370738165.db2.gz SBZWNZBAQGFLSE-ZIAGYGMSSA-N 2 2 261.369 0.959 20 0 CCADLP Cn1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1=O ZINC000631887971 370738167 /nfs/dbraw/zinc/73/81/67/370738167.db2.gz SBZWNZBAQGFLSE-ZIAGYGMSSA-N 2 2 261.369 0.959 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000613659208 364329120 /nfs/dbraw/zinc/32/91/20/364329120.db2.gz IPNLDBOLVZTJCE-CHWSQXEVSA-N 2 2 298.431 0.042 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000613659208 364329124 /nfs/dbraw/zinc/32/91/24/364329124.db2.gz IPNLDBOLVZTJCE-CHWSQXEVSA-N 2 2 298.431 0.042 20 0 CCADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)[C@]12CCCO2 ZINC000564872481 291309526 /nfs/dbraw/zinc/30/95/26/291309526.db2.gz HONXEMJAQROMCZ-CAOSSQGBSA-N 2 2 298.427 0.758 20 0 CCADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)[C@]12CCCO2 ZINC000564872481 291309527 /nfs/dbraw/zinc/30/95/27/291309527.db2.gz HONXEMJAQROMCZ-CAOSSQGBSA-N 2 2 298.427 0.758 20 0 CCADLP C[C@@H](NC(=O)N1CCC[NH2+]CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000332004363 296061796 /nfs/dbraw/zinc/06/17/96/296061796.db2.gz OEZBXKMOLKUAPY-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP C[NH+](C)C1(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@@H](F)C2)CC1 ZINC000614108187 364505689 /nfs/dbraw/zinc/50/56/89/364505689.db2.gz VARJUWIUPVIRCM-NWDGAFQWSA-N 2 2 269.364 0.725 20 0 CCADLP CCn1cc(CC[N@@H+]2CCO[C@@H]([C@H](C)[NH3+])C2)cn1 ZINC000621775184 366862309 /nfs/dbraw/zinc/86/23/09/366862309.db2.gz IFSDNUADKRCRJM-WCQYABFASA-N 2 2 252.362 0.494 20 0 CCADLP CCn1cc(CC[N@H+]2CCO[C@@H]([C@H](C)[NH3+])C2)cn1 ZINC000621775184 366862315 /nfs/dbraw/zinc/86/23/15/366862315.db2.gz IFSDNUADKRCRJM-WCQYABFASA-N 2 2 252.362 0.494 20 0 CCADLP C[NH2+]CCC[NH2+][C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621776340 366863581 /nfs/dbraw/zinc/86/35/81/366863581.db2.gz JGYYEFPQULBDGR-CYBMUJFWSA-N 2 2 268.382 0.855 20 0 CCADLP CC1(C)NC(=O)N(CC[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)C1=O ZINC000621780461 366865164 /nfs/dbraw/zinc/86/51/64/366865164.db2.gz RQTRDCLJBMBOOW-HZMBPMFUSA-N 2 2 280.372 0.130 20 0 CCADLP CC1(C)NC(=O)N(CC[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)C1=O ZINC000621780461 366865167 /nfs/dbraw/zinc/86/51/67/366865167.db2.gz RQTRDCLJBMBOOW-HZMBPMFUSA-N 2 2 280.372 0.130 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCCN1C(=O)Cn1cc[nH+]c1 ZINC000614328669 364572705 /nfs/dbraw/zinc/57/27/05/364572705.db2.gz ALRBOIYJRBSKQV-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCCN1C(=O)Cn1cc[nH+]c1 ZINC000614328669 364572712 /nfs/dbraw/zinc/57/27/12/364572712.db2.gz ALRBOIYJRBSKQV-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000615185250 364875091 /nfs/dbraw/zinc/87/50/91/364875091.db2.gz WBQRMNMJQDJSRS-BYNQJWBRSA-N 2 2 274.368 0.686 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000615185250 364875096 /nfs/dbraw/zinc/87/50/96/364875096.db2.gz WBQRMNMJQDJSRS-BYNQJWBRSA-N 2 2 274.368 0.686 20 0 CCADLP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000615311977 364917281 /nfs/dbraw/zinc/91/72/81/364917281.db2.gz DMTIWXUMHVCRQN-UPJWGTAASA-N 2 2 276.384 0.997 20 0 CCADLP CC(C)[NH2+]C1(CO)CCN(Cc2c[nH+]cn2C)CC1 ZINC000565159664 291349223 /nfs/dbraw/zinc/34/92/23/291349223.db2.gz ADUIVUJRGVHCAR-UHFFFAOYSA-N 2 2 266.389 0.745 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)c1c[nH+]ccc1N ZINC000275836564 193142624 /nfs/dbraw/zinc/14/26/24/193142624.db2.gz UYUYOLLLZCCFSX-UHFFFAOYSA-N 2 2 259.313 0.989 20 0 CCADLP COc1c(C)[nH+]cnc1NC[C@H](C)N1CC[NH+](C)CC1 ZINC000656117037 412744921 /nfs/dbraw/zinc/74/49/21/412744921.db2.gz PDPRIMHMPNYVAF-NSHDSACASA-N 2 2 279.388 0.841 20 0 CCADLP COCCn1cc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cn1 ZINC000622003675 366975387 /nfs/dbraw/zinc/97/53/87/366975387.db2.gz DEQBIGWGWAVTRA-ZIAGYGMSSA-N 2 2 264.373 0.843 20 0 CCADLP COCCn1cc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)cn1 ZINC000622003675 366975395 /nfs/dbraw/zinc/97/53/95/366975395.db2.gz DEQBIGWGWAVTRA-ZIAGYGMSSA-N 2 2 264.373 0.843 20 0 CCADLP C[NH+](C)CC(C)(C)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000622098556 367025587 /nfs/dbraw/zinc/02/55/87/367025587.db2.gz IIBMICAZJRHWCA-UHFFFAOYSA-N 2 2 288.355 0.732 20 0 CCADLP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000263069016 296093361 /nfs/dbraw/zinc/09/33/61/296093361.db2.gz WFFPNCNICWLQPG-GHMZBOCLSA-N 2 2 273.327 0.680 20 0 CCADLP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000263069016 296093363 /nfs/dbraw/zinc/09/33/63/296093363.db2.gz WFFPNCNICWLQPG-GHMZBOCLSA-N 2 2 273.327 0.680 20 0 CCADLP CC[C@H](Nc1ccccc1)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000566200714 291374606 /nfs/dbraw/zinc/37/46/06/291374606.db2.gz XWCWTZHDYTXZEP-GJZGRUSLSA-N 2 2 290.411 0.978 20 0 CCADLP CC[C@H](Nc1ccccc1)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000566200714 291374609 /nfs/dbraw/zinc/37/46/09/291374609.db2.gz XWCWTZHDYTXZEP-GJZGRUSLSA-N 2 2 290.411 0.978 20 0 CCADLP C[NH+]1CCC(CCO)(NC(=O)CCn2cc[nH+]c2)CC1 ZINC000622489978 367185102 /nfs/dbraw/zinc/18/51/02/367185102.db2.gz CERCXMQQHUTYEN-UHFFFAOYSA-N 2 2 280.372 0.236 20 0 CCADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)CC(F)(F)F ZINC000566231956 291380698 /nfs/dbraw/zinc/38/06/98/291380698.db2.gz WIJOTZSBUOYLKK-MNOVXSKESA-N 2 2 284.322 0.736 20 0 CCADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)CC(F)(F)F ZINC000566231956 291380700 /nfs/dbraw/zinc/38/07/00/291380700.db2.gz WIJOTZSBUOYLKK-MNOVXSKESA-N 2 2 284.322 0.736 20 0 CCADLP C[N@@H+]1CCN(Cc2cccc(-n3cccn3)c2)[C@@H](C[NH3+])C1 ZINC000566230556 291379816 /nfs/dbraw/zinc/37/98/16/291379816.db2.gz WWYNOIUDHSQGDB-INIZCTEOSA-N 2 2 285.395 0.947 20 0 CCADLP C[N@H+]1CCN(Cc2cccc(-n3cccn3)c2)[C@@H](C[NH3+])C1 ZINC000566230556 291379817 /nfs/dbraw/zinc/37/98/17/291379817.db2.gz WWYNOIUDHSQGDB-INIZCTEOSA-N 2 2 285.395 0.947 20 0 CCADLP O=C(NCCC1CC[NH2+]CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623179882 367467350 /nfs/dbraw/zinc/46/73/50/367467350.db2.gz IZZLAKLBCGWYHB-CYBMUJFWSA-N 2 2 276.384 0.951 20 0 CCADLP CC1(C)C[NH2+]CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623176099 367464440 /nfs/dbraw/zinc/46/44/40/367464440.db2.gz FBELRYKZZQTWNU-LLVKDONJSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623178498 367465964 /nfs/dbraw/zinc/46/59/64/367465964.db2.gz TXZZEMXLHUVORH-NRWUCQMLSA-N 2 2 276.384 0.948 20 0 CCADLP C[C@@H](C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)[NH+]1CCN(C)CC1 ZINC000566254288 291385674 /nfs/dbraw/zinc/38/56/74/291385674.db2.gz YHKWGXAEXZBSRJ-GOEBONIOSA-N 2 2 294.443 0.224 20 0 CCADLP C[C@H]1OCC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000623619763 367605426 /nfs/dbraw/zinc/60/54/26/367605426.db2.gz WGQLTDXEDHCRKR-WOPDTQHZSA-N 2 2 255.362 0.093 20 0 CCADLP C[C@H]1OCC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000623619763 367605435 /nfs/dbraw/zinc/60/54/35/367605435.db2.gz WGQLTDXEDHCRKR-WOPDTQHZSA-N 2 2 255.362 0.093 20 0 CCADLP C[C@H]1OCC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000623619762 367605487 /nfs/dbraw/zinc/60/54/87/367605487.db2.gz WGQLTDXEDHCRKR-UTUOFQBUSA-N 2 2 255.362 0.093 20 0 CCADLP C[C@H]1OCC[C@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000623619762 367605494 /nfs/dbraw/zinc/60/54/94/367605494.db2.gz WGQLTDXEDHCRKR-UTUOFQBUSA-N 2 2 255.362 0.093 20 0 CCADLP Cc1ncsc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000623618815 367605978 /nfs/dbraw/zinc/60/59/78/367605978.db2.gz GBRMZASDIODHBL-NSHDSACASA-N 2 2 282.413 0.881 20 0 CCADLP Cc1ncsc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000623618815 367605986 /nfs/dbraw/zinc/60/59/86/367605986.db2.gz GBRMZASDIODHBL-NSHDSACASA-N 2 2 282.413 0.881 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccncc1F ZINC000623619779 367606923 /nfs/dbraw/zinc/60/69/23/367606923.db2.gz WZZXQEJOROEYPD-ZDUSSCGKSA-N 2 2 280.347 0.650 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccncc1F ZINC000623619779 367606930 /nfs/dbraw/zinc/60/69/30/367606930.db2.gz WZZXQEJOROEYPD-ZDUSSCGKSA-N 2 2 280.347 0.650 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CC2(C[NH3+])CC2)CC1 ZINC000566295657 291390948 /nfs/dbraw/zinc/39/09/48/291390948.db2.gz DGDWEBLMEGIJAF-UHFFFAOYSA-N 3 2 282.432 0.258 20 0 CCADLP COCCn1cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cn1 ZINC000623634697 367611064 /nfs/dbraw/zinc/61/10/64/367611064.db2.gz UMDABZNJSSQOPV-CYBMUJFWSA-N 2 2 252.362 0.713 20 0 CCADLP COCCn1cc(C[NH2+]C[C@H]2CCC[N@H+]2C)cn1 ZINC000623634697 367611069 /nfs/dbraw/zinc/61/10/69/367611069.db2.gz UMDABZNJSSQOPV-CYBMUJFWSA-N 2 2 252.362 0.713 20 0 CCADLP Nc1nc(N)[nH+]c(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000624055648 367739251 /nfs/dbraw/zinc/73/92/51/367739251.db2.gz KZBAUXSGJAXYRI-ONGXEEELSA-N 2 2 289.387 0.150 20 0 CCADLP Nc1nc(N)[nH+]c(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000624055648 367739254 /nfs/dbraw/zinc/73/92/54/367739254.db2.gz KZBAUXSGJAXYRI-ONGXEEELSA-N 2 2 289.387 0.150 20 0 CCADLP CCOC[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624085282 367748201 /nfs/dbraw/zinc/74/82/01/367748201.db2.gz KMIOUEGQEAOBMR-NEPJUHHUSA-N 2 2 257.378 0.341 20 0 CCADLP CCOC[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624085282 367748202 /nfs/dbraw/zinc/74/82/02/367748202.db2.gz KMIOUEGQEAOBMR-NEPJUHHUSA-N 2 2 257.378 0.341 20 0 CCADLP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCCS(=O)(=O)C2)C1 ZINC000624122622 367759660 /nfs/dbraw/zinc/75/96/60/367759660.db2.gz WZPXJUUXCKHMMR-QWHCGFSZSA-N 2 2 274.430 0.885 20 0 CCADLP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCCS(=O)(=O)C2)C1 ZINC000624122622 367759663 /nfs/dbraw/zinc/75/96/63/367759663.db2.gz WZPXJUUXCKHMMR-QWHCGFSZSA-N 2 2 274.430 0.885 20 0 CCADLP C[N@H+](CCCCNC(=O)NC[C@H]1COCC[NH+]1C)C1CC1 ZINC000624185055 367782023 /nfs/dbraw/zinc/78/20/23/367782023.db2.gz BATDVTDPDNQDGH-AWEZNQCLSA-N 2 2 298.431 0.491 20 0 CCADLP C[N@@H+](CCCCNC(=O)NC[C@H]1COCC[NH+]1C)C1CC1 ZINC000624185055 367782031 /nfs/dbraw/zinc/78/20/31/367782031.db2.gz BATDVTDPDNQDGH-AWEZNQCLSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+](CCCCNC(=O)NC[C@H]1COCC[N@@H+]1C)C1CC1 ZINC000624185055 367782039 /nfs/dbraw/zinc/78/20/39/367782039.db2.gz BATDVTDPDNQDGH-AWEZNQCLSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+](CCCCNC(=O)NC[C@H]1COCC[N@H+]1C)C1CC1 ZINC000624185055 367782049 /nfs/dbraw/zinc/78/20/49/367782049.db2.gz BATDVTDPDNQDGH-AWEZNQCLSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1C)c1[nH+]ccn1C ZINC000624389349 367866707 /nfs/dbraw/zinc/86/67/07/367866707.db2.gz XSHIHBGASKPXBP-WDEREUQCSA-N 2 2 265.361 0.875 20 0 CCADLP C[C@H](NC(=O)NC[C@H]1CCC[N@H+]1C)c1[nH+]ccn1C ZINC000624389349 367866716 /nfs/dbraw/zinc/86/67/16/367866716.db2.gz XSHIHBGASKPXBP-WDEREUQCSA-N 2 2 265.361 0.875 20 0 CCADLP C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)c1[nH+]ccn1C ZINC000624389348 367867157 /nfs/dbraw/zinc/86/71/57/367867157.db2.gz XSHIHBGASKPXBP-QWRGUYRKSA-N 2 2 265.361 0.875 20 0 CCADLP C[C@H](NC(=O)NC[C@@H]1CCC[N@H+]1C)c1[nH+]ccn1C ZINC000624389348 367867168 /nfs/dbraw/zinc/86/71/68/367867168.db2.gz XSHIHBGASKPXBP-QWRGUYRKSA-N 2 2 265.361 0.875 20 0 CCADLP O[C@H]1CC[N@H+](CC[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000624335169 367836854 /nfs/dbraw/zinc/83/68/54/367836854.db2.gz LFBRMHPUKUKZLF-CXQJBGSLSA-N 2 2 296.333 0.879 20 0 CCADLP O[C@H]1CC[N@@H+](CC[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000624335169 367836858 /nfs/dbraw/zinc/83/68/58/367836858.db2.gz LFBRMHPUKUKZLF-CXQJBGSLSA-N 2 2 296.333 0.879 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC[C@H]1CCCC[NH+](C)C1 ZINC000624609117 367927222 /nfs/dbraw/zinc/92/72/22/367927222.db2.gz ORBJYEKTCTYTNX-ZIAGYGMSSA-N 2 2 298.431 0.348 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC[C@H]1CCCC[NH+](C)C1 ZINC000624609117 367927233 /nfs/dbraw/zinc/92/72/33/367927233.db2.gz ORBJYEKTCTYTNX-ZIAGYGMSSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH+]1CCOC[C@H]1CNC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624609117 367927242 /nfs/dbraw/zinc/92/72/42/367927242.db2.gz ORBJYEKTCTYTNX-ZIAGYGMSSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH+]1CCOC[C@H]1CNC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624609117 367927251 /nfs/dbraw/zinc/92/72/51/367927251.db2.gz ORBJYEKTCTYTNX-ZIAGYGMSSA-N 2 2 298.431 0.348 20 0 CCADLP Cc1nc(N(C)C)nc(NC[C@H]2C[C@@H]([NH+](C)C)C2)[nH+]1 ZINC000656212101 412767737 /nfs/dbraw/zinc/76/77/37/412767737.db2.gz ZQVWLCXGOHMKGY-PHIMTYICSA-N 2 2 264.377 0.998 20 0 CCADLP Cc1nc(NC[C@H]2C[C@@H]([NH+](C)C)C2)nc(N(C)C)[nH+]1 ZINC000656212101 412767742 /nfs/dbraw/zinc/76/77/42/412767742.db2.gz ZQVWLCXGOHMKGY-PHIMTYICSA-N 2 2 264.377 0.998 20 0 CCADLP CC(=O)NC[C@@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)C(C)C ZINC000626159008 368464345 /nfs/dbraw/zinc/46/43/45/368464345.db2.gz FQUDPDQNZCRXNQ-LSDHHAIUSA-N 2 2 285.432 0.678 20 0 CCADLP CC(=O)NC[C@@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC000626159008 368464349 /nfs/dbraw/zinc/46/43/49/368464349.db2.gz FQUDPDQNZCRXNQ-LSDHHAIUSA-N 2 2 285.432 0.678 20 0 CCADLP CC(=O)NC[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000626159008 368464355 /nfs/dbraw/zinc/46/43/55/368464355.db2.gz FQUDPDQNZCRXNQ-LSDHHAIUSA-N 2 2 285.432 0.678 20 0 CCADLP CC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000626159008 368464361 /nfs/dbraw/zinc/46/43/61/368464361.db2.gz FQUDPDQNZCRXNQ-LSDHHAIUSA-N 2 2 285.432 0.678 20 0 CCADLP CC(=O)NC[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000626159757 368466071 /nfs/dbraw/zinc/46/60/71/368466071.db2.gz TZGVJTOUACTLIV-GJZGRUSLSA-N 2 2 283.416 0.432 20 0 CCADLP CC(=O)NC[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000626159757 368466073 /nfs/dbraw/zinc/46/60/73/368466073.db2.gz TZGVJTOUACTLIV-GJZGRUSLSA-N 2 2 283.416 0.432 20 0 CCADLP CC(=O)NC[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000626159757 368466074 /nfs/dbraw/zinc/46/60/74/368466074.db2.gz TZGVJTOUACTLIV-GJZGRUSLSA-N 2 2 283.416 0.432 20 0 CCADLP CC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000626159757 368466077 /nfs/dbraw/zinc/46/60/77/368466077.db2.gz TZGVJTOUACTLIV-GJZGRUSLSA-N 2 2 283.416 0.432 20 0 CCADLP Cc1nc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c2c([nH+]1)CCCC2 ZINC000656219178 412770447 /nfs/dbraw/zinc/77/04/47/412770447.db2.gz MWWLHZJWBDXVSY-QWHCGFSZSA-N 2 2 288.395 0.919 20 0 CCADLP Cc1nc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c2c([nH+]1)CCCC2 ZINC000656219178 412770452 /nfs/dbraw/zinc/77/04/52/412770452.db2.gz MWWLHZJWBDXVSY-QWHCGFSZSA-N 2 2 288.395 0.919 20 0 CCADLP Cc1cc(NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc[nH+]1 ZINC000626468642 368556331 /nfs/dbraw/zinc/55/63/31/368556331.db2.gz QDFRGJTXGIKHFF-GFCCVEGCSA-N 2 2 264.329 0.000 20 0 CCADLP Cc1cc(NC(=O)NCC[N@H+]2CC[C@@H](O)C2)cc[nH+]1 ZINC000626468642 368556336 /nfs/dbraw/zinc/55/63/36/368556336.db2.gz QDFRGJTXGIKHFF-GFCCVEGCSA-N 2 2 264.329 0.000 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000626970326 368703373 /nfs/dbraw/zinc/70/33/73/368703373.db2.gz LXVYQNNASDNXOR-FRRDWIJNSA-N 2 2 284.404 0.147 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000626970326 368703382 /nfs/dbraw/zinc/70/33/82/368703382.db2.gz LXVYQNNASDNXOR-FRRDWIJNSA-N 2 2 284.404 0.147 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000626889759 368668692 /nfs/dbraw/zinc/66/86/92/368668692.db2.gz ZVFJZASCEKQZGA-ZJUUUORDSA-N 2 2 292.339 0.285 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000626917873 368677831 /nfs/dbraw/zinc/67/78/31/368677831.db2.gz PETXOAGSKICUQF-GFCCVEGCSA-N 2 2 277.372 0.857 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)NCCOCCC[NH3+])c2[nH+]ccn21 ZINC000627052275 368759032 /nfs/dbraw/zinc/75/90/32/368759032.db2.gz MXOPDYYUWANPTK-WDEREUQCSA-N 2 2 281.360 0.554 20 0 CCADLP Cc1cc(C)c(CNC(=O)N(C)CCOCC[NH3+])c[nH+]1 ZINC000627056425 368760767 /nfs/dbraw/zinc/76/07/67/368760767.db2.gz VLELVIIDMLBCMU-UHFFFAOYSA-N 2 2 280.372 0.815 20 0 CCADLP C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000423394543 296127419 /nfs/dbraw/zinc/12/74/19/296127419.db2.gz QHOMDQGYBCCPEB-IJLUTSLNSA-N 3 2 294.365 0.553 20 0 CCADLP CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000330617405 203045825 /nfs/dbraw/zinc/04/58/25/203045825.db2.gz XBEHZAUAWCHPBC-VXGBXAGGSA-N 2 2 286.401 0.333 20 0 CCADLP CCCN(C(=O)NC[C@H]1COCC[N@@H+]1C)[C@@H]1CC[NH2+]C1 ZINC000627183226 368851462 /nfs/dbraw/zinc/85/14/62/368851462.db2.gz IJVFIRWHBHYTHC-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP CCCN(C(=O)NC[C@H]1COCC[N@H+]1C)[C@@H]1CC[NH2+]C1 ZINC000627183226 368851465 /nfs/dbraw/zinc/85/14/65/368851465.db2.gz IJVFIRWHBHYTHC-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP CC[NH+](CC)CC(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000627930670 369136436 /nfs/dbraw/zinc/13/64/36/369136436.db2.gz QWRRMYOOSHDAMP-UHFFFAOYSA-N 2 2 269.389 0.308 20 0 CCADLP O=C(NC1CC([NH+]2CCOCC2)C1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000627941931 369142513 /nfs/dbraw/zinc/14/25/13/369142513.db2.gz YVKKVLNVMIXJLG-ZALBZXLWSA-N 2 2 293.411 0.593 20 0 CCADLP COCC(C)(C)[NH+]1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000574314148 335009529 /nfs/dbraw/zinc/00/95/29/335009529.db2.gz ABVQKQVSJSIFBQ-UHFFFAOYSA-N 2 2 294.399 0.532 20 0 CCADLP Cc1[nH]c(CN2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)[nH+]c1C ZINC000628255737 369225018 /nfs/dbraw/zinc/22/50/18/369225018.db2.gz VYHZIFCTMPRVOB-WDEREUQCSA-N 2 2 266.389 0.913 20 0 CCADLP Cc1[nH]c(CN2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)[nH+]c1C ZINC000628255737 369225021 /nfs/dbraw/zinc/22/50/21/369225021.db2.gz VYHZIFCTMPRVOB-WDEREUQCSA-N 2 2 266.389 0.913 20 0 CCADLP Cc1c[nH]c(CN2CN(CC[NH+](C)C)C(=O)[C@@H]2C)[nH+]1 ZINC000628322433 369241258 /nfs/dbraw/zinc/24/12/58/369241258.db2.gz SZKCGUDCYLACJZ-NSHDSACASA-N 2 2 265.361 0.270 20 0 CCADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000628498179 369279340 /nfs/dbraw/zinc/27/93/40/369279340.db2.gz HMAWLYSOHLRQRJ-WFASDCNBSA-N 2 2 264.369 0.979 20 0 CCADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000628498179 369279346 /nfs/dbraw/zinc/27/93/46/369279346.db2.gz HMAWLYSOHLRQRJ-WFASDCNBSA-N 2 2 264.369 0.979 20 0 CCADLP Cc1nc(N)c(CNC(=O)[C@@H](C)[NH+]2CCSCC2)c[nH+]1 ZINC000567194966 291465486 /nfs/dbraw/zinc/46/54/86/291465486.db2.gz PWYQVQOHXYGSNG-SECBINFHSA-N 2 2 295.412 0.251 20 0 CCADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H]1COCC[N@H+]1C)CC2 ZINC000628923675 369471244 /nfs/dbraw/zinc/47/12/44/369471244.db2.gz RWHPSERMURQFRZ-TZMCWYRMSA-N 2 2 292.383 0.201 20 0 CCADLP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H]1COCC[N@@H+]1C)CC2 ZINC000628923675 369471248 /nfs/dbraw/zinc/47/12/48/369471248.db2.gz RWHPSERMURQFRZ-TZMCWYRMSA-N 2 2 292.383 0.201 20 0 CCADLP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629558471 369708802 /nfs/dbraw/zinc/70/88/02/369708802.db2.gz IHEHEIWISDVJRA-HUUCEWRRSA-N 3 2 269.433 0.765 20 0 CCADLP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629558471 369708804 /nfs/dbraw/zinc/70/88/04/369708804.db2.gz IHEHEIWISDVJRA-HUUCEWRRSA-N 3 2 269.433 0.765 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)NC2CC2)CC[C@H]1C(F)(F)F ZINC000629563566 369709714 /nfs/dbraw/zinc/70/97/14/369709714.db2.gz GKIHTTQCCAPSGJ-PSASIEDQSA-N 2 2 279.306 0.724 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NC2CC2)CC[C@H]1C(F)(F)F ZINC000629563566 369709719 /nfs/dbraw/zinc/70/97/19/369709719.db2.gz GKIHTTQCCAPSGJ-PSASIEDQSA-N 2 2 279.306 0.724 20 0 CCADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C(=O)N1CCCC[C@@H]1C ZINC000629568121 369714673 /nfs/dbraw/zinc/71/46/73/369714673.db2.gz RNKXUUOCRSDLFL-KKUMJFAQSA-N 2 2 297.443 0.822 20 0 CCADLP C[N@H+](CCOCC[NH3+])CC(=O)Nc1ccc(F)cc1F ZINC000629576649 369719143 /nfs/dbraw/zinc/71/91/43/369719143.db2.gz NXWUOHBZOVITOA-UHFFFAOYSA-N 2 2 287.310 0.810 20 0 CCADLP C[N@@H+](CCOCC[NH3+])CC(=O)Nc1ccc(F)cc1F ZINC000629576649 369719147 /nfs/dbraw/zinc/71/91/47/369719147.db2.gz NXWUOHBZOVITOA-UHFFFAOYSA-N 2 2 287.310 0.810 20 0 CCADLP CS(=O)(=O)C1(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CCC1 ZINC000629579943 369723048 /nfs/dbraw/zinc/72/30/48/369723048.db2.gz YVWWZSMXQROHKX-GFCCVEGCSA-N 2 2 290.429 0.000 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@H]1CO[C@@H](C2CC2)C1)C1CC1 ZINC000629607318 369737994 /nfs/dbraw/zinc/73/79/94/369737994.db2.gz LGGRCSXWTKRLNS-MRVWCRGKSA-N 2 2 254.374 0.599 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CO[C@@H](C2CC2)C1)C1CC1 ZINC000629607318 369737999 /nfs/dbraw/zinc/73/79/99/369737999.db2.gz LGGRCSXWTKRLNS-MRVWCRGKSA-N 2 2 254.374 0.599 20 0 CCADLP CN(C)c1ccccc1C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000629652251 369748146 /nfs/dbraw/zinc/74/81/46/369748146.db2.gz DSJCNVVJBKJUIV-UHFFFAOYSA-N 2 2 287.367 0.997 20 0 CCADLP c1nnc2ccc(N3CC[C@@H]([NH2+][C@H]4CCC[NH2+]C4)C3)nn12 ZINC000629655642 369749478 /nfs/dbraw/zinc/74/94/78/369749478.db2.gz WZMRLRQRKKKHLZ-NWDGAFQWSA-N 2 2 287.371 0.045 20 0 CCADLP C[N@H+](CCOCC[NH3+])Cc1cn(C(C)(C)C)nn1 ZINC000629580471 369724351 /nfs/dbraw/zinc/72/43/51/369724351.db2.gz CZABTVFGCIXEHY-UHFFFAOYSA-N 2 2 255.366 0.440 20 0 CCADLP C[N@@H+](CCOCC[NH3+])Cc1cn(C(C)(C)C)nn1 ZINC000629580471 369724356 /nfs/dbraw/zinc/72/43/56/369724356.db2.gz CZABTVFGCIXEHY-UHFFFAOYSA-N 2 2 255.366 0.440 20 0 CCADLP Cn1c(C[N@H+](C)CCOCC[NH3+])nnc1C1CCC1 ZINC000629580998 369724953 /nfs/dbraw/zinc/72/49/53/369724953.db2.gz JMHIODOVYIBKDD-UHFFFAOYSA-N 2 2 267.377 0.490 20 0 CCADLP Cn1c(C[N@@H+](C)CCOCC[NH3+])nnc1C1CCC1 ZINC000629580998 369724957 /nfs/dbraw/zinc/72/49/57/369724957.db2.gz JMHIODOVYIBKDD-UHFFFAOYSA-N 2 2 267.377 0.490 20 0 CCADLP COC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000629604257 369736225 /nfs/dbraw/zinc/73/62/25/369736225.db2.gz ILCAWSPCTSVWDK-UONOGXRCSA-N 2 2 256.390 0.990 20 0 CCADLP COC[C@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000629604257 369736230 /nfs/dbraw/zinc/73/62/30/369736230.db2.gz ILCAWSPCTSVWDK-UONOGXRCSA-N 2 2 256.390 0.990 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C[NH+](C)C1CCC1 ZINC000629957984 369854327 /nfs/dbraw/zinc/85/43/27/369854327.db2.gz OSNIQJMFYOJDTP-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C[NH+](C)C1CCC1 ZINC000629957984 369854330 /nfs/dbraw/zinc/85/43/30/369854330.db2.gz OSNIQJMFYOJDTP-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)C[N@H+](C)C1CCC1 ZINC000629957984 369854332 /nfs/dbraw/zinc/85/43/32/369854332.db2.gz OSNIQJMFYOJDTP-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)C[N@@H+](C)C1CCC1 ZINC000629957984 369854334 /nfs/dbraw/zinc/85/43/34/369854334.db2.gz OSNIQJMFYOJDTP-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP C[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCOCC2)CCC1 ZINC000630004195 369887063 /nfs/dbraw/zinc/88/70/63/369887063.db2.gz PIPGDQITKSJPMG-UHFFFAOYSA-N 2 2 269.389 0.356 20 0 CCADLP [NH3+]C[C@H]1CC[C@H](NC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000631001715 370355871 /nfs/dbraw/zinc/35/58/71/370355871.db2.gz QUEUMBJEAWPQHC-JOCQHMNTSA-N 2 2 284.404 0.135 20 0 CCADLP COCCc1ncc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)s1 ZINC000631050620 370368201 /nfs/dbraw/zinc/36/82/01/370368201.db2.gz WMSIVYBFHURQRG-GFCCVEGCSA-N 2 2 299.440 0.878 20 0 CCADLP Cc1nc(N2CC[C@@H](C[NH+]3CCCC3)C2)nc(N)[nH+]1 ZINC000631126911 370393266 /nfs/dbraw/zinc/39/32/66/370393266.db2.gz PDXHDXOHOPKDME-NSHDSACASA-N 2 2 262.361 0.515 20 0 CCADLP Cc1nc(N)nc(N2CC[C@@H](C[NH+]3CCCC3)C2)[nH+]1 ZINC000631126911 370393270 /nfs/dbraw/zinc/39/32/70/370393270.db2.gz PDXHDXOHOPKDME-NSHDSACASA-N 2 2 262.361 0.515 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC[N@@H+]1C ZINC000630949168 370339062 /nfs/dbraw/zinc/33/90/62/370339062.db2.gz VMLKLOSCKDJXGJ-SOUVJXGZSA-N 2 2 296.459 0.469 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)CC[N@H+]1C ZINC000630949168 370339066 /nfs/dbraw/zinc/33/90/66/370339066.db2.gz VMLKLOSCKDJXGJ-SOUVJXGZSA-N 2 2 296.459 0.469 20 0 CCADLP CC(C)n1ncnc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000631181189 370413671 /nfs/dbraw/zinc/41/36/71/370413671.db2.gz LWFLCCOOSOHRHJ-LBPRGKRZSA-N 2 2 294.403 0.288 20 0 CCADLP CC(C)n1ncnc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000631181189 370413672 /nfs/dbraw/zinc/41/36/72/370413672.db2.gz LWFLCCOOSOHRHJ-LBPRGKRZSA-N 2 2 294.403 0.288 20 0 CCADLP CC[N@@H+]1C[C@H](C)N(c2nc(C)[nH+]c(N)n2)C[C@H]1C ZINC000631187096 370416310 /nfs/dbraw/zinc/41/63/10/370416310.db2.gz YVBURKYIBFYSAX-BDAKNGLRSA-N 2 2 250.350 0.511 20 0 CCADLP CC[N@H+]1C[C@H](C)N(c2nc(C)[nH+]c(N)n2)C[C@H]1C ZINC000631187096 370416311 /nfs/dbraw/zinc/41/63/11/370416311.db2.gz YVBURKYIBFYSAX-BDAKNGLRSA-N 2 2 250.350 0.511 20 0 CCADLP CC[NH+]1CCN(S(=O)(=O)CC2([NH+](C)C)CC2)CC1 ZINC000631637252 370619492 /nfs/dbraw/zinc/61/94/92/370619492.db2.gz MYXGADZKGQZUBD-UHFFFAOYSA-N 2 2 275.418 0.048 20 0 CCADLP C[C@@H]1C[C@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@@H](C)O1 ZINC000631626461 370614575 /nfs/dbraw/zinc/61/45/75/370614575.db2.gz YAQGOHDHELMWPI-NFAWXSAZSA-N 2 2 297.443 0.942 20 0 CCADLP O=C1CCCN1CC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000331893799 204269945 /nfs/dbraw/zinc/26/99/45/204269945.db2.gz XQODFEBCBOQFOB-UHFFFAOYSA-N 2 2 277.372 0.150 20 0 CCADLP C[NH2+]CC1CC[NH+](Cc2ncnn2CCF)CC1 ZINC000567893434 291531914 /nfs/dbraw/zinc/53/19/14/291531914.db2.gz YZOQCCVRUPDEKA-UHFFFAOYSA-N 2 2 255.341 0.679 20 0 CCADLP CC1(C)C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CCO1 ZINC000634685435 372133243 /nfs/dbraw/zinc/13/32/43/372133243.db2.gz OBQIRDBLYOOSAZ-STQMWFEESA-N 2 2 283.416 0.873 20 0 CCADLP CC1(C)C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CCO1 ZINC000634685435 372133248 /nfs/dbraw/zinc/13/32/48/372133248.db2.gz OBQIRDBLYOOSAZ-STQMWFEESA-N 2 2 283.416 0.873 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000634704474 372150425 /nfs/dbraw/zinc/15/04/25/372150425.db2.gz LGAATHAQEUUTPZ-RDBSUJKOSA-N 2 2 256.390 0.582 20 0 CCADLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000634704474 372150430 /nfs/dbraw/zinc/15/04/30/372150430.db2.gz LGAATHAQEUUTPZ-RDBSUJKOSA-N 2 2 256.390 0.582 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)n1C ZINC000634745098 372191335 /nfs/dbraw/zinc/19/13/35/372191335.db2.gz VSOYHTFKYUETKE-PHIMTYICSA-N 2 2 250.346 0.564 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)n1C ZINC000634745098 372191340 /nfs/dbraw/zinc/19/13/40/372191340.db2.gz VSOYHTFKYUETKE-PHIMTYICSA-N 2 2 250.346 0.564 20 0 CCADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CCC[C@@H]([NH3+])C3)nc[nH+]2)C1 ZINC000634807289 372246968 /nfs/dbraw/zinc/24/69/68/372246968.db2.gz FPAXXKYARMSAPC-YNEHKIRRSA-N 2 2 291.399 0.611 20 0 CCADLP C[C@H]1C[C@@H](Nc2[nH+]cnc(-n3cccn3)c2N)CC[NH2+]1 ZINC000634808034 372246976 /nfs/dbraw/zinc/24/69/76/372246976.db2.gz HYZMQLUKVXPHOA-UWVGGRQHSA-N 2 2 273.344 0.797 20 0 CCADLP C[C@H](O)[C@H]1CCN(c2cc(N3CCC[C@@H]([NH3+])C3)nc[nH+]2)C1 ZINC000634807287 372247056 /nfs/dbraw/zinc/24/70/56/372247056.db2.gz FPAXXKYARMSAPC-RWMBFGLXSA-N 2 2 291.399 0.611 20 0 CCADLP c1nc(N2CC[C@H]3CC[NH2+][C@@H]3C2)c2c([nH+]1)NCCO2 ZINC000634808111 372247492 /nfs/dbraw/zinc/24/74/92/372247492.db2.gz JPCWXTZVLGPLTA-NXEZZACHSA-N 2 2 261.329 0.469 20 0 CCADLP C[C@H]1CCC[N@H+](CC[NH2+][C@H]2CCNC(=O)CC2)C1 ZINC000634952977 372308457 /nfs/dbraw/zinc/30/84/57/372308457.db2.gz NPMSZWIPOCIKIV-QWHCGFSZSA-N 2 2 253.390 0.977 20 0 CCADLP C[C@H]1CCC[N@@H+](CC[NH2+][C@H]2CCNC(=O)CC2)C1 ZINC000634952977 372308466 /nfs/dbraw/zinc/30/84/66/372308466.db2.gz NPMSZWIPOCIKIV-QWHCGFSZSA-N 2 2 253.390 0.977 20 0 CCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccon1 ZINC000634958415 372312437 /nfs/dbraw/zinc/31/24/37/372312437.db2.gz PGHFQTRDXQLNCC-ZDUSSCGKSA-N 2 2 280.372 0.707 20 0 CCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccon1 ZINC000634958415 372312442 /nfs/dbraw/zinc/31/24/42/372312442.db2.gz PGHFQTRDXQLNCC-ZDUSSCGKSA-N 2 2 280.372 0.707 20 0 CCADLP C([N@@H+]1CCS[C@H]2COCC[C@@H]21)C12CC(C1)C[NH2+]2 ZINC000634993121 372329371 /nfs/dbraw/zinc/32/93/71/372329371.db2.gz LQMADEMKQIDQFA-ZFQMDJOTSA-N 2 2 254.399 0.945 20 0 CCADLP C([N@H+]1CCS[C@H]2COCC[C@@H]21)C12CC(C1)C[NH2+]2 ZINC000634993121 372329379 /nfs/dbraw/zinc/32/93/79/372329379.db2.gz LQMADEMKQIDQFA-ZFQMDJOTSA-N 2 2 254.399 0.945 20 0 CCADLP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1nnc(C2CCOCC2)[nH]1 ZINC000635006377 372339916 /nfs/dbraw/zinc/33/99/16/372339916.db2.gz REDSJLVLBDWPTD-VXGBXAGGSA-N 2 2 279.388 0.916 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)NCCC[NH+]1CCOCC1 ZINC000635067156 372364862 /nfs/dbraw/zinc/36/48/62/372364862.db2.gz LMPXNGHKHYLNDM-UHFFFAOYSA-N 2 2 294.399 0.845 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)[C@H](C)[NH+]1CCOCC1 ZINC000635505690 372570080 /nfs/dbraw/zinc/57/00/80/372570080.db2.gz BPXZFFQRDJQURV-RDBSUJKOSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)[C@H](C)[NH+]1CCOCC1 ZINC000635505690 372570086 /nfs/dbraw/zinc/57/00/86/372570086.db2.gz BPXZFFQRDJQURV-RDBSUJKOSA-N 2 2 283.416 0.696 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000635518070 372581355 /nfs/dbraw/zinc/58/13/55/372581355.db2.gz VDYPVNRKJUNXSP-ZDUSSCGKSA-N 2 2 294.399 0.532 20 0 CCADLP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635541724 372607471 /nfs/dbraw/zinc/60/74/71/372607471.db2.gz XDTDXNKVRRETTH-IJLUTSLNSA-N 2 2 262.357 0.971 20 0 CCADLP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635541724 372607475 /nfs/dbraw/zinc/60/74/75/372607475.db2.gz XDTDXNKVRRETTH-IJLUTSLNSA-N 2 2 262.357 0.971 20 0 CCADLP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635541724 372607478 /nfs/dbraw/zinc/60/74/78/372607478.db2.gz XDTDXNKVRRETTH-IJLUTSLNSA-N 2 2 262.357 0.971 20 0 CCADLP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635541724 372607482 /nfs/dbraw/zinc/60/74/82/372607482.db2.gz XDTDXNKVRRETTH-IJLUTSLNSA-N 2 2 262.357 0.971 20 0 CCADLP CCc1c[nH]c(CC(=O)NCC[N@H+](C)CCCOC)[nH+]1 ZINC000635607433 372679007 /nfs/dbraw/zinc/67/90/07/372679007.db2.gz NSPQFIPOKKZXJJ-UHFFFAOYSA-N 2 2 282.388 0.599 20 0 CCADLP CCc1c[nH]c(CC(=O)NCC[N@@H+](C)CCCOC)[nH+]1 ZINC000635607433 372679009 /nfs/dbraw/zinc/67/90/09/372679009.db2.gz NSPQFIPOKKZXJJ-UHFFFAOYSA-N 2 2 282.388 0.599 20 0 CCADLP C[NH+](C)CC1(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000635665029 372739886 /nfs/dbraw/zinc/73/98/86/372739886.db2.gz GEZJOBJNFIQVQZ-UHFFFAOYSA-N 3 2 296.459 0.470 20 0 CCADLP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000333247314 205149531 /nfs/dbraw/zinc/14/95/31/205149531.db2.gz FZLMBWDQXJWAOL-VNHYZAJKSA-N 2 2 295.427 0.873 20 0 CCADLP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000333247314 205149532 /nfs/dbraw/zinc/14/95/32/205149532.db2.gz FZLMBWDQXJWAOL-VNHYZAJKSA-N 2 2 295.427 0.873 20 0 CCADLP [NH3+]CCCCCn1cc(CC[NH+]2CCOCC2)nn1 ZINC000656452159 412801777 /nfs/dbraw/zinc/80/17/77/412801777.db2.gz APMDGVBLEYCANF-UHFFFAOYSA-N 2 2 267.377 0.282 20 0 CCADLP Cc1cc(N2CC[C@H]([NH2+][C@@H](C)[C@H]3CCC[NH2+]3)C2=O)n(C)n1 ZINC000333277793 205178252 /nfs/dbraw/zinc/17/82/52/205178252.db2.gz LVCKLBMNJXCRKD-XQQFMLRXSA-N 2 2 291.399 0.564 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O)[C@H]1CCC[NH2+]1 ZINC000333308908 205205019 /nfs/dbraw/zinc/20/50/19/205205019.db2.gz RKCWBVUJLDTLRL-MRVWCRGKSA-N 2 2 291.399 0.646 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)CC2 ZINC000635785299 372905465 /nfs/dbraw/zinc/90/54/65/372905465.db2.gz DASZQKQMZXGEHH-LBPRGKRZSA-N 2 2 262.357 0.876 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)C[C@@H]1CC[N@H+](C)C1)CC2 ZINC000635785299 372905475 /nfs/dbraw/zinc/90/54/75/372905475.db2.gz DASZQKQMZXGEHH-LBPRGKRZSA-N 2 2 262.357 0.876 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)[nH+]1 ZINC000635860667 373015410 /nfs/dbraw/zinc/01/54/10/373015410.db2.gz CHIJPKMIXVRDLT-OAHLLOKOSA-N 2 2 294.399 0.430 20 0 CCADLP C[C@H](C(=O)NCc1c[nH+]c2n1CCCC2)[NH+](C)C ZINC000635909862 373089809 /nfs/dbraw/zinc/08/98/09/373089809.db2.gz LXJLTFGRIIPRMH-SNVBAGLBSA-N 2 2 250.346 0.786 20 0 CCADLP [NH3+]Cc1ccc(-n2cc([C@H]3COCC[NH2+]3)nn2)cc1 ZINC000656459790 412806275 /nfs/dbraw/zinc/80/62/75/412806275.db2.gz UFRHODOSOYBGGF-CYBMUJFWSA-N 2 2 259.313 0.387 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC(C[NH+]3CCOCC3)C2)[nH+]1 ZINC000635949284 373145095 /nfs/dbraw/zinc/14/50/95/373145095.db2.gz DCQGPHCJHAXRJX-UHFFFAOYSA-N 2 2 292.383 0.305 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC000636014431 373248423 /nfs/dbraw/zinc/24/84/23/373248423.db2.gz BZZMSIRUWBOKLM-LBPRGKRZSA-N 2 2 250.346 0.563 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)[C@@H]2CCCC[N@H+]2C)c1 ZINC000636014431 373248429 /nfs/dbraw/zinc/24/84/29/373248429.db2.gz BZZMSIRUWBOKLM-LBPRGKRZSA-N 2 2 250.346 0.563 20 0 CCADLP CC(C)(C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636024826 373265379 /nfs/dbraw/zinc/26/53/79/373265379.db2.gz BTZMRQYSPYNGNV-VXGBXAGGSA-N 2 2 292.383 0.740 20 0 CCADLP CC(C)(C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000636110572 373371153 /nfs/dbraw/zinc/37/11/53/373371153.db2.gz DBXHXSBNNLTDEE-OKILXGFUSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)c1[nH+]ccn1C ZINC000636211369 373456143 /nfs/dbraw/zinc/45/61/43/373456143.db2.gz DGFLHPYNOWZVSE-MNOVXSKESA-N 2 2 250.346 0.939 20 0 CCADLP C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)c1[nH+]ccn1C ZINC000636211369 373456149 /nfs/dbraw/zinc/45/61/49/373456149.db2.gz DGFLHPYNOWZVSE-MNOVXSKESA-N 2 2 250.346 0.939 20 0 CCADLP C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)c1[nH+]ccn1C ZINC000636211371 373456206 /nfs/dbraw/zinc/45/62/06/373456206.db2.gz DGFLHPYNOWZVSE-WDEREUQCSA-N 2 2 250.346 0.939 20 0 CCADLP C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)c1[nH+]ccn1C ZINC000636211371 373456218 /nfs/dbraw/zinc/45/62/18/373456218.db2.gz DGFLHPYNOWZVSE-WDEREUQCSA-N 2 2 250.346 0.939 20 0 CCADLP CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)[C@@H]1CC[NH+]1C1CCCC1 ZINC000636305784 373535014 /nfs/dbraw/zinc/53/50/14/373535014.db2.gz AIESEWRTRFJPGF-GJZGRUSLSA-N 2 2 295.427 0.792 20 0 CCADLP CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@@H]1CC[NH+]1C1CCCC1 ZINC000636305784 373535015 /nfs/dbraw/zinc/53/50/15/373535015.db2.gz AIESEWRTRFJPGF-GJZGRUSLSA-N 2 2 295.427 0.792 20 0 CCADLP CN(C[C@@H]1C[NH+](C)CCO1)C(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000636305784 373535017 /nfs/dbraw/zinc/53/50/17/373535017.db2.gz AIESEWRTRFJPGF-GJZGRUSLSA-N 2 2 295.427 0.792 20 0 CCADLP CN(C[C@@H]1C[NH+](C)CCO1)C(=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000636305784 373535019 /nfs/dbraw/zinc/53/50/19/373535019.db2.gz AIESEWRTRFJPGF-GJZGRUSLSA-N 2 2 295.427 0.792 20 0 CCADLP C[NH+](C)C1(CNC(=O)NC[C@H]2C[N@H+](C)CCO2)CCC1 ZINC000333737677 205652888 /nfs/dbraw/zinc/65/28/88/205652888.db2.gz QQPDYZTUSHBIMH-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP C[NH+](C)C1(CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)CCC1 ZINC000333737677 205652890 /nfs/dbraw/zinc/65/28/90/205652890.db2.gz QQPDYZTUSHBIMH-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP C[N@H+](CC(=O)NC[C@H]1COCC[NH+]1C)CC(C)(C)C ZINC000636279141 373511475 /nfs/dbraw/zinc/51/14/75/373511475.db2.gz JIHYWKAGZMENDU-LBPRGKRZSA-N 2 2 271.405 0.411 20 0 CCADLP C[N@@H+](CC(=O)NC[C@H]1COCC[NH+]1C)CC(C)(C)C ZINC000636279141 373511480 /nfs/dbraw/zinc/51/14/80/373511480.db2.gz JIHYWKAGZMENDU-LBPRGKRZSA-N 2 2 271.405 0.411 20 0 CCADLP C[NH+](CC(=O)NC[C@H]1COCC[N@@H+]1C)CC(C)(C)C ZINC000636279141 373511492 /nfs/dbraw/zinc/51/14/92/373511492.db2.gz JIHYWKAGZMENDU-LBPRGKRZSA-N 2 2 271.405 0.411 20 0 CCADLP C[NH+](CC(=O)NC[C@H]1COCC[N@H+]1C)CC(C)(C)C ZINC000636279141 373511497 /nfs/dbraw/zinc/51/14/97/373511497.db2.gz JIHYWKAGZMENDU-LBPRGKRZSA-N 2 2 271.405 0.411 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636645604 373692931 /nfs/dbraw/zinc/69/29/31/373692931.db2.gz PKMVPZGMFGITBC-GHMZBOCLSA-N 2 2 263.345 0.201 20 0 CCADLP C[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636645604 373692937 /nfs/dbraw/zinc/69/29/37/373692937.db2.gz PKMVPZGMFGITBC-GHMZBOCLSA-N 2 2 263.345 0.201 20 0 CCADLP CC[NH+]1CCC(CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1 ZINC000636718360 373720709 /nfs/dbraw/zinc/72/07/09/373720709.db2.gz ZTOXXORBMNJFHG-CYBMUJFWSA-N 2 2 291.399 0.839 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC3(C)COC3)C2)CC1 ZINC000636791533 373761493 /nfs/dbraw/zinc/76/14/93/373761493.db2.gz ILNFLHCEQDSGJU-GFCCVEGCSA-N 2 2 296.415 0.243 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC3(C)COC3)C2)CC1 ZINC000636791533 373761500 /nfs/dbraw/zinc/76/15/00/373761500.db2.gz ILNFLHCEQDSGJU-GFCCVEGCSA-N 2 2 296.415 0.243 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC[N@H+]1C ZINC000636843235 373782791 /nfs/dbraw/zinc/78/27/91/373782791.db2.gz DMLBMTXTECFZQT-IJLUTSLNSA-N 2 2 277.372 0.590 20 0 CCADLP CC[NH+](CC)CCOCCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000637040334 373895604 /nfs/dbraw/zinc/89/56/04/373895604.db2.gz DZRNUEVMKMISMM-UHFFFAOYSA-N 2 2 297.403 0.910 20 0 CCADLP C[C@H](CNC1=[NH+]CCCN1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656508598 412815100 /nfs/dbraw/zinc/81/51/00/412815100.db2.gz PIMBZKNHTSEFFU-UTUOFQBUSA-N 2 2 254.378 0.423 20 0 CCADLP C[C@H](CNC1=[NH+]CCCN1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656508598 412815103 /nfs/dbraw/zinc/81/51/03/412815103.db2.gz PIMBZKNHTSEFFU-UTUOFQBUSA-N 2 2 254.378 0.423 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000636989276 373860619 /nfs/dbraw/zinc/86/06/19/373860619.db2.gz UVPAURZKFVMEES-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1COCC[NH+]1C ZINC000637145955 373954375 /nfs/dbraw/zinc/95/43/75/373954375.db2.gz MJHXHDTWHOGQAF-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1COCC[NH+]1C ZINC000637145955 373954383 /nfs/dbraw/zinc/95/43/83/373954383.db2.gz MJHXHDTWHOGQAF-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637145955 373954390 /nfs/dbraw/zinc/95/43/90/373954390.db2.gz MJHXHDTWHOGQAF-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1COCC[N@H+]1C ZINC000637145955 373954400 /nfs/dbraw/zinc/95/44/00/373954400.db2.gz MJHXHDTWHOGQAF-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+](C)C1(CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)CCC1 ZINC000637071425 373913519 /nfs/dbraw/zinc/91/35/19/373913519.db2.gz URWHMWSBYGPDDN-NSHDSACASA-N 2 2 277.372 0.591 20 0 CCADLP C[C@@H](CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)[NH+](C)C ZINC000637195513 373994974 /nfs/dbraw/zinc/99/49/74/373994974.db2.gz CBHVDVLDFGKYCG-VHSXEESVSA-N 2 2 251.334 0.057 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@@H]1CCC[NH+]1C ZINC000637532969 374220355 /nfs/dbraw/zinc/22/03/55/374220355.db2.gz PFCYHNUVHRZTAF-AWEZNQCLSA-N 3 2 299.463 0.263 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@@H]1CCC[NH+]1C ZINC000637532969 374220366 /nfs/dbraw/zinc/22/03/66/374220366.db2.gz PFCYHNUVHRZTAF-AWEZNQCLSA-N 3 2 299.463 0.263 20 0 CCADLP C[NH+](C)CCC[NH+](C)CCNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000637532969 374220373 /nfs/dbraw/zinc/22/03/73/374220373.db2.gz PFCYHNUVHRZTAF-AWEZNQCLSA-N 3 2 299.463 0.263 20 0 CCADLP C[NH+](C)CCC[NH+](C)CCNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000637532969 374220379 /nfs/dbraw/zinc/22/03/79/374220379.db2.gz PFCYHNUVHRZTAF-AWEZNQCLSA-N 3 2 299.463 0.263 20 0 CCADLP O=C(N[C@@H]1CC[NH2+]C1)c1cc(-n2cc[nH+]c2)ccc1O ZINC000637811028 374345028 /nfs/dbraw/zinc/34/50/28/374345028.db2.gz IEIMRCZLSZIKKA-SNVBAGLBSA-N 2 2 272.308 0.670 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@H]2CCC[NH2+]C2)[nH+]1 ZINC000637815818 374349567 /nfs/dbraw/zinc/34/95/67/374349567.db2.gz XVQJNUHDRZGTHU-JTQLQIEISA-N 2 2 250.346 0.630 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)[C@H](C[NH3+])C1 ZINC000637864357 374424947 /nfs/dbraw/zinc/42/49/47/374424947.db2.gz QMSXNGZSIHPNQI-DMRZNYOFSA-N 2 2 285.391 0.674 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)[C@H](C[NH3+])C1 ZINC000637864357 374424954 /nfs/dbraw/zinc/42/49/54/374424954.db2.gz QMSXNGZSIHPNQI-DMRZNYOFSA-N 2 2 285.391 0.674 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)NCCCn1cc[nH+]c1 ZINC000656548559 412824716 /nfs/dbraw/zinc/82/47/16/412824716.db2.gz VBGOUVTXPSRBNL-UHFFFAOYSA-N 2 2 265.361 0.476 20 0 CCADLP C[C@H](O)C[NH+]1CCN(CC(C)(C)[NH+]2CCOCC2)CC1 ZINC000638027242 374570209 /nfs/dbraw/zinc/57/02/09/374570209.db2.gz RSOPRYDVAMGQFE-AWEZNQCLSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(CC(C)(C)[NH+]2CCOCC2)CC1 ZINC000638027245 374570261 /nfs/dbraw/zinc/57/02/61/374570261.db2.gz RSOPRYDVAMGQFE-CQSZACIVSA-N 2 2 285.432 0.096 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000638060095 374604604 /nfs/dbraw/zinc/60/46/04/374604604.db2.gz KLKUYEQMBGCBPO-QWHCGFSZSA-N 2 2 271.405 0.457 20 0 CCADLP C[C@@]1(C(=O)NCCc2cn3ccccc3[nH+]2)C[NH2+]CCO1 ZINC000638060446 374604791 /nfs/dbraw/zinc/60/47/91/374604791.db2.gz MCJPHJNSEZJHJG-HNNXBMFYSA-N 2 2 288.351 0.372 20 0 CCADLP [NH3+][C@@H]1CC=C(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000638077034 374633211 /nfs/dbraw/zinc/63/32/11/374633211.db2.gz PCOKUXKLUAMNEO-ZIAGYGMSSA-N 2 2 279.384 0.357 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000638070673 374619080 /nfs/dbraw/zinc/61/90/80/374619080.db2.gz ULSGZUAAQWWVBR-NSHDSACASA-N 2 2 281.356 0.497 20 0 CCADLP [NH3+][C@@H]1CC=C(C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000638072670 374623482 /nfs/dbraw/zinc/62/34/82/374623482.db2.gz UXSFDZRYEMJMND-GFCCVEGCSA-N 2 2 274.368 0.926 20 0 CCADLP C[C@@]1(C(=O)NCCc2cn3c([nH+]2)CCCC3)C[NH2+]CCO1 ZINC000638072385 374623847 /nfs/dbraw/zinc/62/38/47/374623847.db2.gz RIPJVWFUMYVMMP-HNNXBMFYSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(CCC1C[NH2+]C1)NCCCNc1cccc[nH+]1 ZINC000638072005 374624924 /nfs/dbraw/zinc/62/49/24/374624924.db2.gz JZZUWMYTHKNEIB-UHFFFAOYSA-N 2 2 262.357 0.999 20 0 CCADLP COc1cc[nH+]cc1NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638089547 374648078 /nfs/dbraw/zinc/64/80/78/374648078.db2.gz BEJNQXCNIYCBIM-GFCCVEGCSA-N 2 2 251.286 0.407 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000638091167 374653558 /nfs/dbraw/zinc/65/35/58/374653558.db2.gz QMPOSWNKJPGJAL-UHFFFAOYSA-N 2 2 295.383 0.887 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000638091167 374653565 /nfs/dbraw/zinc/65/35/65/374653565.db2.gz QMPOSWNKJPGJAL-UHFFFAOYSA-N 2 2 295.383 0.887 20 0 CCADLP CC[N@@H+]1C[C@H](C)N(Cc2c[nH+]c(N)nc2N)C[C@H]1C ZINC000638100779 374666709 /nfs/dbraw/zinc/66/67/09/374666709.db2.gz MJRJWEAWSPRDFX-ZJUUUORDSA-N 2 2 264.377 0.216 20 0 CCADLP CC[N@H+]1C[C@H](C)N(Cc2c[nH+]c(N)nc2N)C[C@H]1C ZINC000638100779 374666712 /nfs/dbraw/zinc/66/67/12/374666712.db2.gz MJRJWEAWSPRDFX-ZJUUUORDSA-N 2 2 264.377 0.216 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3=CC[C@H]([NH3+])C3)C2)CC1 ZINC000638115121 374682420 /nfs/dbraw/zinc/68/24/20/374682420.db2.gz AFDIGRISVWLALJ-KBPBESRZSA-N 3 2 292.427 0.319 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3=CC[C@H]([NH3+])C3)C2)CC1 ZINC000638115121 374682428 /nfs/dbraw/zinc/68/24/28/374682428.db2.gz AFDIGRISVWLALJ-KBPBESRZSA-N 3 2 292.427 0.319 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000638216566 374805064 /nfs/dbraw/zinc/80/50/64/374805064.db2.gz YVJWBAWUVMFMSF-CQSZACIVSA-N 2 2 285.351 0.829 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)[nH+]1 ZINC000638201566 374783722 /nfs/dbraw/zinc/78/37/22/374783722.db2.gz MQFHQQIUODALDU-PWSUYJOCSA-N 2 2 262.357 0.725 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[NH2+][C@H](C)[C@H]2C)[nH+]1 ZINC000638203363 374787317 /nfs/dbraw/zinc/78/73/17/374787317.db2.gz FJPQYIBNFAXPOT-NXEZZACHSA-N 2 2 250.346 0.723 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000638292628 374902555 /nfs/dbraw/zinc/90/25/55/374902555.db2.gz FXEAIGKUNVYXQM-UHFFFAOYSA-N 2 2 281.356 0.499 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)NCC[N@H+]1CCCOCC1 ZINC000638292628 374902561 /nfs/dbraw/zinc/90/25/61/374902561.db2.gz FXEAIGKUNVYXQM-UHFFFAOYSA-N 2 2 281.356 0.499 20 0 CCADLP CO[C@]1(C[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)CCOC1 ZINC000638279503 374884955 /nfs/dbraw/zinc/88/49/55/374884955.db2.gz RTTPEFKYUPCALA-CABCVRRESA-N 2 2 286.416 0.738 20 0 CCADLP CO[C@]1(C[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)CCOC1 ZINC000638279503 374884962 /nfs/dbraw/zinc/88/49/62/374884962.db2.gz RTTPEFKYUPCALA-CABCVRRESA-N 2 2 286.416 0.738 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)[nH+]1 ZINC000638248986 374843805 /nfs/dbraw/zinc/84/38/05/374843805.db2.gz WUOZDGHAXIXBOL-PWSUYJOCSA-N 2 2 262.357 0.725 20 0 CCADLP [NH3+]Cc1ncc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)cn1 ZINC000638344109 374944051 /nfs/dbraw/zinc/94/40/51/374944051.db2.gz UBKJKQUOYBUOLP-CQSZACIVSA-N 2 2 297.362 0.722 20 0 CCADLP CCC(CC)[C@H](CNCc1c[nH+]c(N)nc1N)[NH+](C)C ZINC000638351414 374949937 /nfs/dbraw/zinc/94/99/37/374949937.db2.gz FOQRGBTUMKBGMN-LBPRGKRZSA-N 2 2 280.420 0.758 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(CC[NH3+])CC1 ZINC000638390987 374983626 /nfs/dbraw/zinc/98/36/26/374983626.db2.gz NNLXQBXWWHHQEJ-UHFFFAOYSA-N 2 2 250.346 0.848 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnc(N)nc1N)C[NH+]1CCCCC1 ZINC000638391447 374985102 /nfs/dbraw/zinc/98/51/02/374985102.db2.gz QSEMQCXPJGAUKU-NSHDSACASA-N 2 2 278.404 0.513 20 0 CCADLP CO[C@H](C[NH2+]CC(=O)N1CC[NH+](C)CC1)C1CCCC1 ZINC000638439148 375040900 /nfs/dbraw/zinc/04/09/00/375040900.db2.gz BLQLODHOUZGINS-CQSZACIVSA-N 2 2 283.416 0.555 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000638414582 375012816 /nfs/dbraw/zinc/01/28/16/375012816.db2.gz RAONWINABIMQMS-LBPRGKRZSA-N 2 2 293.367 0.593 20 0 CCADLP COCC[NH+]1CCC(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000574582466 335031643 /nfs/dbraw/zinc/03/16/43/335031643.db2.gz IVMTZNFRIOWOOJ-GFCCVEGCSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[NH+]1CCC(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000574582466 335031645 /nfs/dbraw/zinc/03/16/45/335031645.db2.gz IVMTZNFRIOWOOJ-GFCCVEGCSA-N 2 2 294.399 0.815 20 0 CCADLP Cc1cccc2c1C[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)CO2 ZINC000638475527 375073132 /nfs/dbraw/zinc/07/31/32/375073132.db2.gz JZIJTYPPKZFLFM-JSGCOSHPSA-N 2 2 291.395 0.694 20 0 CCADLP CCN(CC[NH3+])C(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000638516418 375107594 /nfs/dbraw/zinc/10/75/94/375107594.db2.gz BJDWVPIPVWEORL-UHFFFAOYSA-N 2 2 291.395 0.940 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000638574326 375151527 /nfs/dbraw/zinc/15/15/27/375151527.db2.gz QFXDRXJEKAWDMX-RRFJBIMHSA-N 2 2 295.427 0.887 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000638574326 375151529 /nfs/dbraw/zinc/15/15/29/375151529.db2.gz QFXDRXJEKAWDMX-RRFJBIMHSA-N 2 2 295.427 0.887 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000638537315 375126384 /nfs/dbraw/zinc/12/63/84/375126384.db2.gz YOVCANRQXYIWGV-WOPDTQHZSA-N 2 2 271.430 0.762 20 0 CCADLP COCC[N@@H+]1CC[C@H]([NH2+]C2CC(n3cccn3)C2)C1 ZINC000638637533 375241157 /nfs/dbraw/zinc/24/11/57/375241157.db2.gz SCLMTCULSKVCPX-HSBZDZAISA-N 2 2 264.373 0.897 20 0 CCADLP COCC[N@H+]1CC[C@H]([NH2+]C2CC(n3cccn3)C2)C1 ZINC000638637533 375241161 /nfs/dbraw/zinc/24/11/61/375241161.db2.gz SCLMTCULSKVCPX-HSBZDZAISA-N 2 2 264.373 0.897 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000638608495 375189216 /nfs/dbraw/zinc/18/92/16/375189216.db2.gz BJTSXOWHCLOUGN-AGIUHOORSA-N 2 2 269.389 0.067 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000638608495 375189221 /nfs/dbraw/zinc/18/92/21/375189221.db2.gz BJTSXOWHCLOUGN-AGIUHOORSA-N 2 2 269.389 0.067 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000638615073 375202811 /nfs/dbraw/zinc/20/28/11/375202811.db2.gz VUMGZDVPRGUTHN-KGLIPLIRSA-N 2 2 277.368 0.003 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000638615073 375202814 /nfs/dbraw/zinc/20/28/14/375202814.db2.gz VUMGZDVPRGUTHN-KGLIPLIRSA-N 2 2 277.368 0.003 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC(C)(C)C(=O)N1CCCC1 ZINC000638685909 375293688 /nfs/dbraw/zinc/29/36/88/375293688.db2.gz KIEZQCDAYUYICF-GFCCVEGCSA-N 2 2 298.431 0.030 20 0 CCADLP CO[C@@]1(C[NH2+]C[C@@]2([NH+](C)C)CCSC2)CCOC1 ZINC000638721960 375320679 /nfs/dbraw/zinc/32/06/79/375320679.db2.gz PPHRNFKTOBVFDP-QWHCGFSZSA-N 2 2 274.430 0.819 20 0 CCADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000638930354 375465757 /nfs/dbraw/zinc/46/57/57/375465757.db2.gz WFXVFRYRZZUQAL-GXSJLCMTSA-N 2 2 275.343 0.912 20 0 CCADLP CO[C@H](C[NH2+]CC[N@@H+]1CC[C@@H](C)C1)[C@@H]1CCOC1 ZINC000638873259 375416788 /nfs/dbraw/zinc/41/67/88/375416788.db2.gz FCJFEHGCQCZYSM-MGPQQGTHSA-N 2 2 256.390 0.969 20 0 CCADLP CO[C@H](C[NH2+]CC[N@H+]1CC[C@@H](C)C1)[C@@H]1CCOC1 ZINC000638873259 375416792 /nfs/dbraw/zinc/41/67/92/375416792.db2.gz FCJFEHGCQCZYSM-MGPQQGTHSA-N 2 2 256.390 0.969 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000638935459 375471188 /nfs/dbraw/zinc/47/11/88/375471188.db2.gz NFANDJWGTLYTGV-MNOVXSKESA-N 2 2 258.325 0.825 20 0 CCADLP [NH3+][C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)c1c(F)cccc1F ZINC000638937202 375472535 /nfs/dbraw/zinc/47/25/35/375472535.db2.gz IDHBAQKYJYOMIV-VYUIOLGVSA-N 2 2 281.306 0.927 20 0 CCADLP C[C@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000638988736 375502147 /nfs/dbraw/zinc/50/21/47/375502147.db2.gz DAAPZTOCEGDJDP-JTQLQIEISA-N 2 2 280.397 0.598 20 0 CCADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000639017752 375521519 /nfs/dbraw/zinc/52/15/19/375521519.db2.gz YNVKKWSETMYRJR-CABZTGNLSA-N 2 2 252.318 0.135 20 0 CCADLP NC(=O)c1c[nH+]ccc1NCc1ccn2cc[nH+]c2c1 ZINC000574613974 335033885 /nfs/dbraw/zinc/03/38/85/335033885.db2.gz ZKUREAVBWNAZAU-UHFFFAOYSA-N 2 2 267.292 0.862 20 0 CCADLP Cn1cc(CCC[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cn1 ZINC000639217280 375637353 /nfs/dbraw/zinc/63/73/53/375637353.db2.gz DLFHSEUSBGQDGO-OAHLLOKOSA-N 2 2 280.416 0.789 20 0 CCADLP Cn1cc(CCC[NH2+]C[C@H]2CCCC[N@H+]2CCO)cn1 ZINC000639217280 375637361 /nfs/dbraw/zinc/63/73/61/375637361.db2.gz DLFHSEUSBGQDGO-OAHLLOKOSA-N 2 2 280.416 0.789 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000574638237 335035881 /nfs/dbraw/zinc/03/58/81/335035881.db2.gz ZKGJJEMRWZWLRJ-SWLSCSKDSA-N 2 2 296.415 0.685 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000574638237 335035882 /nfs/dbraw/zinc/03/58/82/335035882.db2.gz ZKGJJEMRWZWLRJ-SWLSCSKDSA-N 2 2 296.415 0.685 20 0 CCADLP CO[C@@H](C[NH2+]CCc1cn(C)c[nH+]1)[C@H]1CCOC1 ZINC000639255941 375667298 /nfs/dbraw/zinc/66/72/98/375667298.db2.gz QQQKCFFTRFUSMQ-AAEUAGOBSA-N 2 2 253.346 0.604 20 0 CCADLP CO[C@@H](C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)C1CC1 ZINC000639350483 375750045 /nfs/dbraw/zinc/75/00/45/375750045.db2.gz ZLCUESZGFNFXPC-STQMWFEESA-N 2 2 269.389 0.341 20 0 CCADLP CO[C@@H](C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)C1CC1 ZINC000639350483 375750053 /nfs/dbraw/zinc/75/00/53/375750053.db2.gz ZLCUESZGFNFXPC-STQMWFEESA-N 2 2 269.389 0.341 20 0 CCADLP CO[C@H](C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)C1CC1 ZINC000639350482 375750285 /nfs/dbraw/zinc/75/02/85/375750285.db2.gz ZLCUESZGFNFXPC-QWHCGFSZSA-N 2 2 269.389 0.341 20 0 CCADLP CO[C@H](C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)C1CC1 ZINC000639350482 375750292 /nfs/dbraw/zinc/75/02/92/375750292.db2.gz ZLCUESZGFNFXPC-QWHCGFSZSA-N 2 2 269.389 0.341 20 0 CCADLP O[C@H]1CC[N@H+](CC[NH2+]C2CC(n3cccn3)C2)C1 ZINC000639356319 375754575 /nfs/dbraw/zinc/75/45/75/375754575.db2.gz BXNVYXHKYXYWTG-BPCQOVAHSA-N 2 2 250.346 0.243 20 0 CCADLP O[C@H]1CC[N@@H+](CC[NH2+]C2CC(n3cccn3)C2)C1 ZINC000639356319 375754584 /nfs/dbraw/zinc/75/45/84/375754584.db2.gz BXNVYXHKYXYWTG-BPCQOVAHSA-N 2 2 250.346 0.243 20 0 CCADLP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CC[NH+](C2CCC2)CC1 ZINC000263295478 284542855 /nfs/dbraw/zinc/54/28/55/284542855.db2.gz WGHWWIYEAYLDIQ-LLVKDONJSA-N 2 2 273.327 0.680 20 0 CCADLP CC[N@H+](CCc1c[nH+]cn1C)[C@H](C)CS(C)(=O)=O ZINC000639489740 375806391 /nfs/dbraw/zinc/80/63/91/375806391.db2.gz SVKFVMALGWJCOQ-LLVKDONJSA-N 2 2 273.402 0.718 20 0 CCADLP CC[N@@H+](CCc1c[nH+]cn1C)[C@H](C)CS(C)(=O)=O ZINC000639489740 375806397 /nfs/dbraw/zinc/80/63/97/375806397.db2.gz SVKFVMALGWJCOQ-LLVKDONJSA-N 2 2 273.402 0.718 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000639508916 375815470 /nfs/dbraw/zinc/81/54/70/375815470.db2.gz TWEVEPCNMCJQGN-NSHDSACASA-N 2 2 250.346 0.550 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000639508916 375815475 /nfs/dbraw/zinc/81/54/75/375815475.db2.gz TWEVEPCNMCJQGN-NSHDSACASA-N 2 2 250.346 0.550 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000639514398 375818803 /nfs/dbraw/zinc/81/88/03/375818803.db2.gz OEAHFHFDHOOQEW-JTQLQIEISA-N 2 2 263.263 0.962 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000639514398 375818811 /nfs/dbraw/zinc/81/88/11/375818811.db2.gz OEAHFHFDHOOQEW-JTQLQIEISA-N 2 2 263.263 0.962 20 0 CCADLP Cc1cc(C)c(C[N@@H+]2C[C@H](O)C[C@H]2CO)c(C)[nH+]1 ZINC000639554536 375834087 /nfs/dbraw/zinc/83/40/87/375834087.db2.gz LEAZMDZOKABXPP-QWHCGFSZSA-N 2 2 250.342 0.934 20 0 CCADLP Cc1cc(C)c(C[N@H+]2C[C@H](O)C[C@H]2CO)c(C)[nH+]1 ZINC000639554536 375834092 /nfs/dbraw/zinc/83/40/92/375834092.db2.gz LEAZMDZOKABXPP-QWHCGFSZSA-N 2 2 250.342 0.934 20 0 CCADLP COCCN1CCC[N@H+](CCc2c[nH+]cn2C)CC1=O ZINC000639607095 375856664 /nfs/dbraw/zinc/85/66/64/375856664.db2.gz QKCRHMYPZFMMNU-UHFFFAOYSA-N 2 2 280.372 0.143 20 0 CCADLP COCCN1CCC[N@@H+](CCc2c[nH+]cn2C)CC1=O ZINC000639607095 375856668 /nfs/dbraw/zinc/85/66/68/375856668.db2.gz QKCRHMYPZFMMNU-UHFFFAOYSA-N 2 2 280.372 0.143 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+](C)[C@H]1CCN2CCO[C@H]1C2 ZINC000639657741 375890546 /nfs/dbraw/zinc/89/05/46/375890546.db2.gz CWHZYLVCNSQLBD-KBPBESRZSA-N 2 2 264.373 0.368 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@H]1CCN2CCO[C@H]1C2 ZINC000639657741 375890555 /nfs/dbraw/zinc/89/05/55/375890555.db2.gz CWHZYLVCNSQLBD-KBPBESRZSA-N 2 2 264.373 0.368 20 0 CCADLP C[C@H]1C[N@@H+](CCc2c[nH+]cn2C)C[C@]2(CCOC2)O1 ZINC000639621427 375866295 /nfs/dbraw/zinc/86/62/95/375866295.db2.gz TWEKTZXYCNZVPH-JSGCOSHPSA-N 2 2 265.357 0.842 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2cn[nH]c2)CC1 ZINC000639782376 376008021 /nfs/dbraw/zinc/00/80/21/376008021.db2.gz VEDJRTLBYJMWOK-ZDUSSCGKSA-N 2 2 277.372 0.321 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2c2cn[nH]c2)CC1 ZINC000639782376 376008027 /nfs/dbraw/zinc/00/80/27/376008027.db2.gz VEDJRTLBYJMWOK-ZDUSSCGKSA-N 2 2 277.372 0.321 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCOC2CCC2)C1 ZINC000639761813 375987238 /nfs/dbraw/zinc/98/72/38/375987238.db2.gz FEBNUXSLSYICKE-AWEZNQCLSA-N 2 2 256.390 0.944 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCOC2CCC2)C1 ZINC000639761813 375987246 /nfs/dbraw/zinc/98/72/46/375987246.db2.gz FEBNUXSLSYICKE-AWEZNQCLSA-N 2 2 256.390 0.944 20 0 CCADLP CCOC1CC(C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000640051129 376216940 /nfs/dbraw/zinc/21/69/40/376216940.db2.gz INRGVWLNRPFTLW-UHFFFAOYSA-N 2 2 283.416 0.507 20 0 CCADLP CO[C@H](CC(C)C)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051021 376217067 /nfs/dbraw/zinc/21/70/67/376217067.db2.gz CNTSKLRIWAVRCJ-CQSZACIVSA-N 2 2 285.432 0.753 20 0 CCADLP CO[C@H](CC(C)C)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051021 376217073 /nfs/dbraw/zinc/21/70/73/376217073.db2.gz CNTSKLRIWAVRCJ-CQSZACIVSA-N 2 2 285.432 0.753 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000640290271 376299084 /nfs/dbraw/zinc/29/90/84/376299084.db2.gz MAYZPJZMZCWNDZ-GFCCVEGCSA-N 2 2 280.372 0.305 20 0 CCADLP Cc1ncc(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)o1 ZINC000640699448 376500390 /nfs/dbraw/zinc/50/03/90/376500390.db2.gz DNDAMDDNWHAMBH-UHFFFAOYSA-N 2 2 282.388 0.525 20 0 CCADLP Cc1ncc(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)o1 ZINC000640699448 376500396 /nfs/dbraw/zinc/50/03/96/376500396.db2.gz DNDAMDDNWHAMBH-UHFFFAOYSA-N 2 2 282.388 0.525 20 0 CCADLP O=C(NCCn1cc[nH+]c1)c1ccc2[nH+]ccn2c1 ZINC000075474747 284577847 /nfs/dbraw/zinc/57/78/47/284577847.db2.gz AKOQSFRCMVTDJC-UHFFFAOYSA-N 2 2 255.281 0.961 20 0 CCADLP Cc1cccc2[nH+]c(Cn3cc(C[C@@H]([NH3+])CO)nn3)cn21 ZINC000641029265 376684830 /nfs/dbraw/zinc/68/48/30/376684830.db2.gz DYFZNQDKEHERMM-LLVKDONJSA-N 2 2 286.339 0.145 20 0 CCADLP COc1cc[nH+]c(Cn2cc(C[NH2+]C3CC3)nn2)c1 ZINC000641030616 376687026 /nfs/dbraw/zinc/68/70/26/376687026.db2.gz CCSSBFCFVGCDQR-UHFFFAOYSA-N 2 2 259.313 0.982 20 0 CCADLP COc1cc[nH+]c(Cn2cc([C@@H]([NH3+])[C@H]3CCCO3)nn2)c1 ZINC000641031183 376688721 /nfs/dbraw/zinc/68/87/21/376688721.db2.gz WINPYUDPVXRNJZ-ZIAGYGMSSA-N 2 2 289.339 0.909 20 0 CCADLP COCC[NH2+]CCc1cn(Cc2cc[nH+]c(C)c2)nn1 ZINC000641090673 376766176 /nfs/dbraw/zinc/76/61/76/376766176.db2.gz ZFRNSZQSOQBWIF-UHFFFAOYSA-N 2 2 275.356 0.808 20 0 CCADLP CN(C)c1ccc(Cn2cc(CC[C@@H](O)C[NH3+])nn2)c[nH+]1 ZINC000641176810 376846712 /nfs/dbraw/zinc/84/67/12/376846712.db2.gz AGSMAQPVAUHFTF-CYBMUJFWSA-N 2 2 290.371 0.040 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)CC2 ZINC000641227306 376923499 /nfs/dbraw/zinc/92/34/99/376923499.db2.gz QYEXQDWPUVQSDO-NWDGAFQWSA-N 2 2 277.372 0.987 20 0 CCADLP [NH3+]C[C@H](NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)C1CC1 ZINC000569215590 291659365 /nfs/dbraw/zinc/65/93/65/291659365.db2.gz JVRKYSUMGMNVEC-KGLIPLIRSA-N 2 2 290.367 0.982 20 0 CCADLP Cc1cc[nH+]cc1N1CCN(C(=O)NC[C@H](C)[NH3+])CC1 ZINC000641474043 377155933 /nfs/dbraw/zinc/15/59/33/377155933.db2.gz LAQHSDWMWIAYQG-LBPRGKRZSA-N 2 2 277.372 0.569 20 0 CCADLP C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)CCn1cc[nH+]c1 ZINC000641510939 377198607 /nfs/dbraw/zinc/19/86/07/377198607.db2.gz JHMIRSQFKNBELX-NEPJUHHUSA-N 2 2 286.401 0.237 20 0 CCADLP C[N@@H+]1CCN(S(=O)(=O)CCn2cc[nH+]c2)CC1(C)C ZINC000641593386 377299906 /nfs/dbraw/zinc/29/99/06/377299906.db2.gz QLDLCDQSWGNFMH-UHFFFAOYSA-N 2 2 286.401 0.239 20 0 CCADLP C[N@H+]1CCN(S(=O)(=O)CCn2cc[nH+]c2)CC1(C)C ZINC000641593386 377299910 /nfs/dbraw/zinc/29/99/10/377299910.db2.gz QLDLCDQSWGNFMH-UHFFFAOYSA-N 2 2 286.401 0.239 20 0 CCADLP c1cn(-c2cc(NC[C@H]3CSCC[NH2+]3)ncn2)c[nH+]1 ZINC000641687228 377389067 /nfs/dbraw/zinc/38/90/67/377389067.db2.gz KQPNGUBZNLSZPF-JTQLQIEISA-N 2 2 276.369 0.779 20 0 CCADLP C[NH+]1CCN(c2ccc(NCc3ccncc3N)[nH+]c2)CC1 ZINC000641709213 377408990 /nfs/dbraw/zinc/40/89/90/377408990.db2.gz HIAQCUYRFUBVOX-UHFFFAOYSA-N 2 2 298.394 0.845 20 0 CCADLP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)c1nnnn1C1CC1 ZINC000641801522 377471772 /nfs/dbraw/zinc/47/17/72/377471772.db2.gz RQRURMXHAVMCHT-FXBDTBDDSA-N 2 2 250.350 0.784 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)[C@H]1C ZINC000641804519 377476146 /nfs/dbraw/zinc/47/61/46/377476146.db2.gz CFKJRPBMFCPLLP-XJFOESAGSA-N 3 2 267.417 0.955 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)[C@H]1C ZINC000641804519 377476154 /nfs/dbraw/zinc/47/61/54/377476154.db2.gz CFKJRPBMFCPLLP-XJFOESAGSA-N 3 2 267.417 0.955 20 0 CCADLP CCCCn1nnnc1C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641806431 377477895 /nfs/dbraw/zinc/47/78/95/377477895.db2.gz PKRSHMQYCRIMRY-ZJUUUORDSA-N 2 2 252.366 0.689 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@@H](c1ccco1)[NH+](C)C ZINC000422964718 249011746 /nfs/dbraw/zinc/01/17/46/249011746.db2.gz MPHNJLBLRZSLQR-SGMGOOAPSA-N 2 2 295.383 0.766 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)C2([NH3+])CCCCC2)CCO1 ZINC000516068409 249150172 /nfs/dbraw/zinc/15/01/72/249150172.db2.gz BLIYRHKLCGBFQV-LBPRGKRZSA-N 2 2 269.389 0.485 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)C2([NH3+])CCCCC2)CCO1 ZINC000516068409 249150173 /nfs/dbraw/zinc/15/01/73/249150173.db2.gz BLIYRHKLCGBFQV-LBPRGKRZSA-N 2 2 269.389 0.485 20 0 CCADLP C[C@@H]([NH3+])C(=O)Nc1ccc(-c2n[nH]c(C[NH3+])n2)cc1 ZINC000516288045 249158664 /nfs/dbraw/zinc/15/86/64/249158664.db2.gz SUOPVMLYXWGIPT-SSDOTTSWSA-N 2 2 260.301 0.216 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCC[NH3+])CC1 ZINC000516297945 249159608 /nfs/dbraw/zinc/15/96/08/249159608.db2.gz UMTOGJSPFYZMIA-HUUCEWRRSA-N 3 2 268.449 0.826 20 0 CCADLP C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000516376689 249161739 /nfs/dbraw/zinc/16/17/39/249161739.db2.gz ZFWBYIJGGNGASN-GFCCVEGCSA-N 2 2 291.399 0.979 20 0 CCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCCc1cn(C)c[nH+]1 ZINC000515372750 249131026 /nfs/dbraw/zinc/13/10/26/249131026.db2.gz ZKUNQOBLMKQGPG-AWEZNQCLSA-N 2 2 293.415 0.944 20 0 CCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCCc1cn(C)c[nH+]1 ZINC000515372750 249131029 /nfs/dbraw/zinc/13/10/29/249131029.db2.gz ZKUNQOBLMKQGPG-AWEZNQCLSA-N 2 2 293.415 0.944 20 0 CCADLP C[NH2+]C[C@@](C)(O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000515856599 249145632 /nfs/dbraw/zinc/14/56/32/249145632.db2.gz WPHWSILUQKCROS-OAHLLOKOSA-N 2 2 278.400 0.170 20 0 CCADLP C[C@H](C(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C)[NH+]1CC(C)C1 ZINC000516660851 249175948 /nfs/dbraw/zinc/17/59/48/249175948.db2.gz DJKWXLQPJLRTKX-FRRDWIJNSA-N 2 2 253.390 0.878 20 0 CCADLP C[C@H](C(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C)[NH+]1CC(C)C1 ZINC000516660851 249175950 /nfs/dbraw/zinc/17/59/50/249175950.db2.gz DJKWXLQPJLRTKX-FRRDWIJNSA-N 2 2 253.390 0.878 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)C[C@@H](C)O1 ZINC000517733252 249227751 /nfs/dbraw/zinc/22/77/51/249227751.db2.gz ZSHGDSSKAQLFBE-PLJUSGQGSA-N 2 2 268.401 0.845 20 0 CCADLP C[C@H]1[NH2+]CCC[C@H]1Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000643034785 377698697 /nfs/dbraw/zinc/69/86/97/377698697.db2.gz FWNYTPYADGMPBT-VXGBXAGGSA-N 2 2 277.372 0.866 20 0 CCADLP C[C@]1(F)C[NH2+]CCN(c2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000643045639 377704745 /nfs/dbraw/zinc/70/47/45/377704745.db2.gz SQTAKELYLWFCCG-ZDUSSCGKSA-N 2 2 276.319 0.800 20 0 CCADLP C[C@H](C[NH2+]CC1=CCCOC1)C[NH+]1CCOCC1 ZINC000127447777 284739085 /nfs/dbraw/zinc/73/90/85/284739085.db2.gz IXOQEURAFVQJBL-CYBMUJFWSA-N 2 2 254.374 0.891 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[NH+](C2CC2)CC1 ZINC000278929412 194217385 /nfs/dbraw/zinc/21/73/85/194217385.db2.gz SQPPEHKWBGYCLW-UHFFFAOYSA-N 2 2 262.357 0.659 20 0 CCADLP O=C(NCCn1cc[nH+]c1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000279048721 194263771 /nfs/dbraw/zinc/26/37/71/194263771.db2.gz REXQZHZVCGDUOC-SNVBAGLBSA-N 2 2 274.328 0.113 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1CCCNC1=O ZINC000657284167 412950397 /nfs/dbraw/zinc/95/03/97/412950397.db2.gz QVZAXROHDPUXOQ-WZRBSPASSA-N 2 2 251.374 0.585 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1CCCNC1=O ZINC000657284167 412950406 /nfs/dbraw/zinc/95/04/06/412950406.db2.gz QVZAXROHDPUXOQ-WZRBSPASSA-N 2 2 251.374 0.585 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000163957928 284903894 /nfs/dbraw/zinc/90/38/94/284903894.db2.gz VSONJFLBQLNAOP-NSHDSACASA-N 2 2 259.375 0.686 20 0 CCADLP C[C@@H]1CN(C[C@H](O)C[NH2+]CCc2cn(C)c[nH+]2)C[C@@H](C)O1 ZINC000571039847 291785705 /nfs/dbraw/zinc/78/57/05/291785705.db2.gz MCAWHTCCVOAHPE-UMVBOHGHSA-N 2 2 296.415 0.022 20 0 CCADLP O=C(CC[NH2+]Cc1c[nH+]c2n1CCC2)N1CCOCC1 ZINC000657319902 412956116 /nfs/dbraw/zinc/95/61/16/412956116.db2.gz JNJXLJACQCLKCV-UHFFFAOYSA-N 2 2 278.356 0.168 20 0 CCADLP CCCn1nccc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000657327545 412960442 /nfs/dbraw/zinc/96/04/42/412960442.db2.gz WIPYLPPGAZTVJZ-CQSZACIVSA-N 2 2 266.389 0.839 20 0 CCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)[C@@H](C)C[N@@H+]1C ZINC000334964229 207372479 /nfs/dbraw/zinc/37/24/79/207372479.db2.gz CQSQAIYTRCXVCW-NEPJUHHUSA-N 2 2 250.346 0.824 20 0 CCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)[C@@H](C)C[N@H+]1C ZINC000334964229 207372482 /nfs/dbraw/zinc/37/24/82/207372482.db2.gz CQSQAIYTRCXVCW-NEPJUHHUSA-N 2 2 250.346 0.824 20 0 CCADLP C[C@H](CC(=O)NCCC[NH+]1CCOCC1)n1cc[nH+]c1 ZINC000571214977 291799782 /nfs/dbraw/zinc/79/97/82/291799782.db2.gz HQZHEPGIVBMJEV-CYBMUJFWSA-N 2 2 280.372 0.673 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCCCOC)[C@@H](C)C1 ZINC000246845414 285034293 /nfs/dbraw/zinc/03/42/93/285034293.db2.gz OWUWBLMJCRLCOP-KBPBESRZSA-N 2 2 285.432 0.801 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCCCOC)[C@@H](C)C1 ZINC000246845414 285034297 /nfs/dbraw/zinc/03/42/97/285034297.db2.gz OWUWBLMJCRLCOP-KBPBESRZSA-N 2 2 285.432 0.801 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCCCOC)[C@@H](C)C1 ZINC000246845414 285034302 /nfs/dbraw/zinc/03/43/02/285034302.db2.gz OWUWBLMJCRLCOP-KBPBESRZSA-N 2 2 285.432 0.801 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCCCOC)[C@@H](C)C1 ZINC000246845414 285034309 /nfs/dbraw/zinc/03/43/09/285034309.db2.gz OWUWBLMJCRLCOP-KBPBESRZSA-N 2 2 285.432 0.801 20 0 CCADLP CS[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH+](C)C ZINC000281051273 195084288 /nfs/dbraw/zinc/08/42/88/195084288.db2.gz BLDGBVMEYCTPTR-OLZOCXBDSA-N 2 2 296.440 0.857 20 0 CCADLP CC(C)N1C[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)CC1=O ZINC000657370877 412976164 /nfs/dbraw/zinc/97/61/64/412976164.db2.gz MNJAGKMKJCQKOW-LLVKDONJSA-N 2 2 262.357 0.928 20 0 CCADLP C[C@@]1(F)C[NH2+]CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000335356356 208264816 /nfs/dbraw/zinc/26/48/16/208264816.db2.gz ACWZGRABFKJZMU-GFCCVEGCSA-N 2 2 254.309 0.433 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)NCCCn1cc[nH+]c1 ZINC000572034175 291854084 /nfs/dbraw/zinc/85/40/84/291854084.db2.gz XPINDODBUJJZRJ-WDEREUQCSA-N 2 2 253.350 0.698 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000418214561 533076671 /nfs/dbraw/zinc/07/66/71/533076671.db2.gz LXTAVLWYMATCHI-AWEZNQCLSA-N 2 2 296.346 0.933 20 0 CCADLP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)C1CC1 ZINC000453258058 533092405 /nfs/dbraw/zinc/09/24/05/533092405.db2.gz HOVHKWBKHOJVSZ-KGLIPLIRSA-N 2 2 256.390 0.848 20 0 CCADLP COC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)C1CC1 ZINC000453258058 533092409 /nfs/dbraw/zinc/09/24/09/533092409.db2.gz HOVHKWBKHOJVSZ-KGLIPLIRSA-N 2 2 256.390 0.848 20 0 CCADLP C[C@@H]1COCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000251755506 285149289 /nfs/dbraw/zinc/14/92/89/285149289.db2.gz LNLSITCXKFQYCY-SNPRPXQTSA-N 2 2 264.369 0.638 20 0 CCADLP C[C@@H]1COCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000251755506 285149292 /nfs/dbraw/zinc/14/92/92/285149292.db2.gz LNLSITCXKFQYCY-SNPRPXQTSA-N 2 2 264.369 0.638 20 0 CCADLP COc1cncc(/C=C/C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000493090059 533116312 /nfs/dbraw/zinc/11/63/12/533116312.db2.gz FBFFAJIIIACUEE-ITDFMYJTSA-N 2 2 290.367 0.205 20 0 CCADLP COc1cncc(/C=C/C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000493090059 533116316 /nfs/dbraw/zinc/11/63/16/533116316.db2.gz FBFFAJIIIACUEE-ITDFMYJTSA-N 2 2 290.367 0.205 20 0 CCADLP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2CCO)CO1 ZINC000657479659 413005131 /nfs/dbraw/zinc/00/51/31/413005131.db2.gz GAOGMQRREVOCJW-BFHYXJOUSA-N 2 2 256.390 0.990 20 0 CCADLP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@H+]2CCO)CO1 ZINC000657479659 413005139 /nfs/dbraw/zinc/00/51/39/413005139.db2.gz GAOGMQRREVOCJW-BFHYXJOUSA-N 2 2 256.390 0.990 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000355308747 285188484 /nfs/dbraw/zinc/18/84/84/285188484.db2.gz BRFNLMSHEZNZGS-CQSZACIVSA-N 3 2 296.459 0.470 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000355308747 285188485 /nfs/dbraw/zinc/18/84/85/285188485.db2.gz BRFNLMSHEZNZGS-CQSZACIVSA-N 3 2 296.459 0.470 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C1CC[NH+](C)CC1 ZINC000344551471 285189554 /nfs/dbraw/zinc/18/95/54/285189554.db2.gz ZDRUNIVLPBBYKQ-NSHDSACASA-N 2 2 250.346 0.730 20 0 CCADLP OC[C@@H]1CCCCN1c1cc(N2CCC[NH2+]CC2)nc[nH+]1 ZINC000572741742 291900941 /nfs/dbraw/zinc/90/09/41/291900941.db2.gz ZZDJGUXHRMPKTR-ZDUSSCGKSA-N 2 2 291.399 0.628 20 0 CCADLP O=C1C[C@H](C[NH2+]Cc2c[nH+]c3n2CCC3)CN1C1CC1 ZINC000657502918 413011375 /nfs/dbraw/zinc/01/13/75/413011375.db2.gz XCBUZOVPQUEJSQ-LLVKDONJSA-N 2 2 274.368 0.930 20 0 CCADLP COC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)C1CC1 ZINC000453262729 285238285 /nfs/dbraw/zinc/23/82/85/285238285.db2.gz KXAFOICDXQVQAD-ZIAGYGMSSA-N 2 2 256.390 0.848 20 0 CCADLP COC[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)C1CC1 ZINC000453262729 285238286 /nfs/dbraw/zinc/23/82/86/285238286.db2.gz KXAFOICDXQVQAD-ZIAGYGMSSA-N 2 2 256.390 0.848 20 0 CCADLP CCn1c[nH+]cc1CN1CC[N@H+](CCO)[C@@H](C)C1 ZINC000417985655 227369399 /nfs/dbraw/zinc/36/93/99/227369399.db2.gz FVKYTQLDJZCYDU-LBPRGKRZSA-N 2 2 252.362 0.401 20 0 CCADLP CCn1c[nH+]cc1CN1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000417985655 227369404 /nfs/dbraw/zinc/36/94/04/227369404.db2.gz FVKYTQLDJZCYDU-LBPRGKRZSA-N 2 2 252.362 0.401 20 0 CCADLP C[C@@H](C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)[NH+]1CCOCC1 ZINC000424246371 533190643 /nfs/dbraw/zinc/19/06/43/533190643.db2.gz VPKXJDGBTTXJLL-KGLIPLIRSA-N 2 2 295.427 0.698 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000011961718 388777057 /nfs/dbraw/zinc/77/70/57/388777057.db2.gz HUQGIBFZVGIGJV-AWEZNQCLSA-N 2 2 277.368 0.005 20 0 CCADLP [NH3+]C1CC[NH+](CC(=O)NCc2ccc(F)cc2)CC1 ZINC000036754708 388844002 /nfs/dbraw/zinc/84/40/02/388844002.db2.gz PDVRKQLZAATFBY-UHFFFAOYSA-N 2 2 265.332 0.865 20 0 CCADLP CCC[N@H+](CC)CCNC(=O)NCc1c[nH+]cn1C ZINC000290833640 388913098 /nfs/dbraw/zinc/91/30/98/388913098.db2.gz YCHZCEDHDQLVRD-UHFFFAOYSA-N 2 2 267.377 0.951 20 0 CCADLP CCC[N@@H+](CC)CCNC(=O)NCc1c[nH+]cn1C ZINC000290833640 388913104 /nfs/dbraw/zinc/91/31/04/388913104.db2.gz YCHZCEDHDQLVRD-UHFFFAOYSA-N 2 2 267.377 0.951 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)N1CCn2c[nH+]cc2C1 ZINC000291278510 388919777 /nfs/dbraw/zinc/91/97/77/388919777.db2.gz OLJPMEWHSXITJT-JTQLQIEISA-N 2 2 251.334 0.358 20 0 CCADLP C[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)C[C@@H](O)C[NH3+] ZINC000336837406 389026688 /nfs/dbraw/zinc/02/66/88/389026688.db2.gz ZARQDGGJIGSNKB-MELADBBJSA-N 2 2 283.416 0.419 20 0 CCADLP C[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)C[C@@H](O)C[NH3+] ZINC000336837406 389026691 /nfs/dbraw/zinc/02/66/91/389026691.db2.gz ZARQDGGJIGSNKB-MELADBBJSA-N 2 2 283.416 0.419 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H]1CN1CCOCC1)C1CC1 ZINC000336848194 389027219 /nfs/dbraw/zinc/02/72/19/389027219.db2.gz IBOMDHCJNDJLCX-CVEARBPZSA-N 2 2 297.443 0.238 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H]1CN1CCOCC1)C1CC1 ZINC000336848194 389027222 /nfs/dbraw/zinc/02/72/22/389027222.db2.gz IBOMDHCJNDJLCX-CVEARBPZSA-N 2 2 297.443 0.238 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H]1CN1CCOCC1)C1CC1 ZINC000336848194 389027227 /nfs/dbraw/zinc/02/72/27/389027227.db2.gz IBOMDHCJNDJLCX-CVEARBPZSA-N 2 2 297.443 0.238 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H]1CN1CCOCC1)C1CC1 ZINC000336848194 389027232 /nfs/dbraw/zinc/02/72/32/389027232.db2.gz IBOMDHCJNDJLCX-CVEARBPZSA-N 2 2 297.443 0.238 20 0 CCADLP C[N@H+](C[C@H](O)CN1CCC[C@@H]1C[NH+]1CCOCC1)C1CC1 ZINC000336848194 389027233 /nfs/dbraw/zinc/02/72/33/389027233.db2.gz IBOMDHCJNDJLCX-CVEARBPZSA-N 2 2 297.443 0.238 20 0 CCADLP C[N@@H+](C[C@H](O)CN1CCC[C@@H]1C[NH+]1CCOCC1)C1CC1 ZINC000336848194 389027238 /nfs/dbraw/zinc/02/72/38/389027238.db2.gz IBOMDHCJNDJLCX-CVEARBPZSA-N 2 2 297.443 0.238 20 0 CCADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)[C@H]1CCOC1 ZINC000301641616 389056130 /nfs/dbraw/zinc/05/61/30/389056130.db2.gz CIPLPJFXJIECCL-MJBXVCDLSA-N 2 2 255.406 0.637 20 0 CCADLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)[C@H]1CCOC1 ZINC000301641616 389056133 /nfs/dbraw/zinc/05/61/33/389056133.db2.gz CIPLPJFXJIECCL-MJBXVCDLSA-N 2 2 255.406 0.637 20 0 CCADLP NC(=O)c1c[nH+]ccc1N1CC[NH+](Cc2ccccn2)CC1 ZINC000302045726 389061965 /nfs/dbraw/zinc/06/19/65/389061965.db2.gz UNCBYBMUFAEVHW-UHFFFAOYSA-N 2 2 297.362 0.898 20 0 CCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338189690 389087515 /nfs/dbraw/zinc/08/75/15/389087515.db2.gz NBFMWVWBYOCNGA-GFCCVEGCSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338189690 389087518 /nfs/dbraw/zinc/08/75/18/389087518.db2.gz NBFMWVWBYOCNGA-GFCCVEGCSA-N 2 2 269.389 0.260 20 0 CCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000355042267 389038145 /nfs/dbraw/zinc/03/81/45/389038145.db2.gz KGZJYQSNQLRNAM-RISCZKNCSA-N 2 2 292.383 0.492 20 0 CCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000355042267 389038150 /nfs/dbraw/zinc/03/81/50/389038150.db2.gz KGZJYQSNQLRNAM-RISCZKNCSA-N 2 2 292.383 0.492 20 0 CCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000355042267 389038154 /nfs/dbraw/zinc/03/81/54/389038154.db2.gz KGZJYQSNQLRNAM-RISCZKNCSA-N 2 2 292.383 0.492 20 0 CCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000355042267 389038157 /nfs/dbraw/zinc/03/81/57/389038157.db2.gz KGZJYQSNQLRNAM-RISCZKNCSA-N 2 2 292.383 0.492 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000358175771 389144173 /nfs/dbraw/zinc/14/41/73/389144173.db2.gz MXNXKRPNQWMLSD-MRVWCRGKSA-N 2 2 253.390 0.389 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@@H]1C[NH+](C2CC2)CCO1 ZINC000358175771 389144175 /nfs/dbraw/zinc/14/41/75/389144175.db2.gz MXNXKRPNQWMLSD-MRVWCRGKSA-N 2 2 253.390 0.389 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H]1NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000358175771 389144177 /nfs/dbraw/zinc/14/41/77/389144177.db2.gz MXNXKRPNQWMLSD-MRVWCRGKSA-N 2 2 253.390 0.389 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H]1NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000358175771 389144179 /nfs/dbraw/zinc/14/41/79/389144179.db2.gz MXNXKRPNQWMLSD-MRVWCRGKSA-N 2 2 253.390 0.389 20 0 CCADLP C[NH+](C)CC(=O)NCc1cccc(NC(=O)C[NH+](C)C)c1 ZINC000340073754 389146794 /nfs/dbraw/zinc/14/67/94/389146794.db2.gz CSERCTXDTKBSRI-UHFFFAOYSA-N 2 2 292.383 0.365 20 0 CCADLP CCC[C@@H](C)NC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577256 389097000 /nfs/dbraw/zinc/09/70/00/389097000.db2.gz BIZWBJZPMGJTAT-XQHKEYJVSA-N 2 2 253.390 0.831 20 0 CCADLP CCC[C@@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577256 389097002 /nfs/dbraw/zinc/09/70/02/389097002.db2.gz BIZWBJZPMGJTAT-XQHKEYJVSA-N 2 2 253.390 0.831 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]Cc1cccc(CO)c1)C1CC1 ZINC000311837847 389105407 /nfs/dbraw/zinc/10/54/07/389105407.db2.gz MYIYNDBKRZZJPQ-OAHLLOKOSA-N 2 2 264.369 0.724 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1cccc(CO)c1)C1CC1 ZINC000311837847 389105409 /nfs/dbraw/zinc/10/54/09/389105409.db2.gz MYIYNDBKRZZJPQ-OAHLLOKOSA-N 2 2 264.369 0.724 20 0 CCADLP C[C@@H]1[C@H](C)[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCN1C ZINC000338287298 389106524 /nfs/dbraw/zinc/10/65/24/389106524.db2.gz ZVYLMBSQQPNOES-KGLIPLIRSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@@H]1[C@H](C)[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCN1C ZINC000338287298 389106527 /nfs/dbraw/zinc/10/65/27/389106527.db2.gz ZVYLMBSQQPNOES-KGLIPLIRSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@@H]1[C@H](C)N(CCC(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000338287298 389106529 /nfs/dbraw/zinc/10/65/29/389106529.db2.gz ZVYLMBSQQPNOES-KGLIPLIRSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@@H]1[C@H](C)N(CCC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000338287298 389106532 /nfs/dbraw/zinc/10/65/32/389106532.db2.gz ZVYLMBSQQPNOES-KGLIPLIRSA-N 2 2 282.432 0.175 20 0 CCADLP Cn1c[nH+]cc1CCCn1cc(C[NH2+]C2CC2)nn1 ZINC000314011307 389116080 /nfs/dbraw/zinc/11/60/80/389116080.db2.gz GLPGSCIYQZFHPW-UHFFFAOYSA-N 2 2 260.345 0.896 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000195122665 389116568 /nfs/dbraw/zinc/11/65/68/389116568.db2.gz WLFONFQXSSTIIB-LLVKDONJSA-N 2 2 251.334 0.277 20 0 CCADLP C[N@H+]1CCC[C@@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000195122665 389116569 /nfs/dbraw/zinc/11/65/69/389116569.db2.gz WLFONFQXSSTIIB-LLVKDONJSA-N 2 2 251.334 0.277 20 0 CCADLP CCCC[N@H+](C)CCNC(=O)NCC[NH+]1CCOCC1 ZINC000112429896 389126154 /nfs/dbraw/zinc/12/61/54/389126154.db2.gz VPYBDSQKQHFJBQ-UHFFFAOYSA-N 2 2 286.420 0.350 20 0 CCADLP CCCC[N@@H+](C)CCNC(=O)NCC[NH+]1CCOCC1 ZINC000112429896 389126155 /nfs/dbraw/zinc/12/61/55/389126155.db2.gz VPYBDSQKQHFJBQ-UHFFFAOYSA-N 2 2 286.420 0.350 20 0 CCADLP CC[N@@H+]1CC[C@@H]2OCCN(CC[NH+]3CCOCC3)[C@H]2C1 ZINC000339392506 389132620 /nfs/dbraw/zinc/13/26/20/389132620.db2.gz HNWPMXIZKONQDH-GJZGRUSLSA-N 2 2 283.416 0.114 20 0 CCADLP CC[N@H+]1CC[C@@H]2OCCN(CC[NH+]3CCOCC3)[C@H]2C1 ZINC000339392506 389132622 /nfs/dbraw/zinc/13/26/22/389132622.db2.gz HNWPMXIZKONQDH-GJZGRUSLSA-N 2 2 283.416 0.114 20 0 CCADLP C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]1CCC[NH+](C)C1 ZINC000118843855 389137181 /nfs/dbraw/zinc/13/71/81/389137181.db2.gz VHUAIHTXQPMWNE-LBPRGKRZSA-N 2 2 298.431 0.884 20 0 CCADLP C[N@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]1CCC[NH+](C)C1 ZINC000118843855 389137184 /nfs/dbraw/zinc/13/71/84/389137184.db2.gz VHUAIHTXQPMWNE-LBPRGKRZSA-N 2 2 298.431 0.884 20 0 CCADLP C[NH+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]1CCC[N@H+](C)C1 ZINC000118843855 389137188 /nfs/dbraw/zinc/13/71/88/389137188.db2.gz VHUAIHTXQPMWNE-LBPRGKRZSA-N 2 2 298.431 0.884 20 0 CCADLP C[NH+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]1CCC[N@@H+](C)C1 ZINC000118843855 389137193 /nfs/dbraw/zinc/13/71/93/389137193.db2.gz VHUAIHTXQPMWNE-LBPRGKRZSA-N 2 2 298.431 0.884 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000358034622 389141836 /nfs/dbraw/zinc/14/18/36/389141836.db2.gz HLDYYADDBWLKCP-RWMBFGLXSA-N 2 2 289.445 0.340 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000358034622 389141838 /nfs/dbraw/zinc/14/18/38/389141838.db2.gz HLDYYADDBWLKCP-RWMBFGLXSA-N 2 2 289.445 0.340 20 0 CCADLP CC(C)[C@@H](C(=O)N1CC[NH+](C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000341752020 389191860 /nfs/dbraw/zinc/19/18/60/389191860.db2.gz XGIIBNWMKROZJF-ZNMIVQPWSA-N 2 2 297.443 0.894 20 0 CCADLP CC(C)[C@@H](C(=O)N1CC[NH+](C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000341752020 389191863 /nfs/dbraw/zinc/19/18/63/389191863.db2.gz XGIIBNWMKROZJF-ZNMIVQPWSA-N 2 2 297.443 0.894 20 0 CCADLP C[C@@H](C(=O)N(C)C)[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000130215423 389201137 /nfs/dbraw/zinc/20/11/37/389201137.db2.gz UQFQBQBGKNACMH-NSHDSACASA-N 2 2 253.390 0.927 20 0 CCADLP COC(=O)CC[C@@H]([NH3+])C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000342713449 389247161 /nfs/dbraw/zinc/24/71/61/389247161.db2.gz SSQZFTBVYFTSPX-LLVKDONJSA-N 2 2 290.323 0.231 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](C)N2CCOCC2)C1 ZINC000343154301 389259372 /nfs/dbraw/zinc/25/93/72/389259372.db2.gz QIZWNAFZQFBWBL-MELADBBJSA-N 2 2 255.406 0.637 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](C)N2CCOCC2)C1 ZINC000343154301 389259373 /nfs/dbraw/zinc/25/93/73/389259373.db2.gz QIZWNAFZQFBWBL-MELADBBJSA-N 2 2 255.406 0.637 20 0 CCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[NH+](CC2CC2)CC1 ZINC000364392031 389261478 /nfs/dbraw/zinc/26/14/78/389261478.db2.gz XPHATTAEICPUCA-AWEZNQCLSA-N 2 2 288.395 1.000 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)Nc2cc(C[NH+](C)C)ccn2)C1 ZINC000364405815 389262099 /nfs/dbraw/zinc/26/20/99/389262099.db2.gz HDRIQEGMQOFHCJ-CYBMUJFWSA-N 2 2 292.383 0.802 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)Nc2cc(C[NH+](C)C)ccn2)C1 ZINC000364405815 389262100 /nfs/dbraw/zinc/26/21/00/389262100.db2.gz HDRIQEGMQOFHCJ-CYBMUJFWSA-N 2 2 292.383 0.802 20 0 CCADLP C(C[N@@H+]1CCCOCC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000361314557 389211222 /nfs/dbraw/zinc/21/12/22/389211222.db2.gz RZFQVLBAECOHOR-INIZCTEOSA-N 2 2 297.443 0.505 20 0 CCADLP C(C[N@H+]1CCCOCC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000361314557 389211224 /nfs/dbraw/zinc/21/12/24/389211224.db2.gz RZFQVLBAECOHOR-INIZCTEOSA-N 2 2 297.443 0.505 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH+](CCNS(C)(=O)=O)C1CC1 ZINC000361390463 389213959 /nfs/dbraw/zinc/21/39/59/389213959.db2.gz MGXJWLHTYJLBKW-LBPRGKRZSA-N 2 2 289.445 0.484 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH+](CCNS(C)(=O)=O)C1CC1 ZINC000361390463 389213961 /nfs/dbraw/zinc/21/39/61/389213961.db2.gz MGXJWLHTYJLBKW-LBPRGKRZSA-N 2 2 289.445 0.484 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@H+](CCNS(C)(=O)=O)C1CC1 ZINC000361390463 389213962 /nfs/dbraw/zinc/21/39/62/389213962.db2.gz MGXJWLHTYJLBKW-LBPRGKRZSA-N 2 2 289.445 0.484 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C1CC1 ZINC000361390463 389213965 /nfs/dbraw/zinc/21/39/65/389213965.db2.gz MGXJWLHTYJLBKW-LBPRGKRZSA-N 2 2 289.445 0.484 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000245666663 389214902 /nfs/dbraw/zinc/21/49/02/389214902.db2.gz ALBMBLUQJGLFNX-KFWWJZLASA-N 2 2 294.443 0.365 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@](C)(O)C2)CC1 ZINC000245887781 389219892 /nfs/dbraw/zinc/21/98/92/389219892.db2.gz JCQBQUHJNHNBIS-HIFRSBDPSA-N 2 2 283.416 0.386 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@](C)(O)C2)CC1 ZINC000245887781 389219895 /nfs/dbraw/zinc/21/98/95/389219895.db2.gz JCQBQUHJNHNBIS-HIFRSBDPSA-N 2 2 283.416 0.386 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](C[C@H]2CCCOC2)C1 ZINC000362697036 389239957 /nfs/dbraw/zinc/23/99/57/389239957.db2.gz HLAFBLCCYXNSED-ZIAGYGMSSA-N 2 2 281.400 0.309 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C[C@H]2CCCOC2)C1 ZINC000362697036 389239959 /nfs/dbraw/zinc/23/99/59/389239959.db2.gz HLAFBLCCYXNSED-ZIAGYGMSSA-N 2 2 281.400 0.309 20 0 CCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)NCC[NH+](C)C)CCC2 ZINC000367116377 389322149 /nfs/dbraw/zinc/32/21/49/389322149.db2.gz BOLGUKILEZOYRX-GFCCVEGCSA-N 2 2 279.388 0.930 20 0 CCADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC000346305704 389326275 /nfs/dbraw/zinc/32/62/75/389326275.db2.gz ZBPMQXVOWFIKRL-XJKSGUPXSA-N 2 2 288.395 1.000 20 0 CCADLP C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC000346305704 389326276 /nfs/dbraw/zinc/32/62/76/389326276.db2.gz ZBPMQXVOWFIKRL-XJKSGUPXSA-N 2 2 288.395 1.000 20 0 CCADLP C[N@H+](CCC(N)=O)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000367602930 389336631 /nfs/dbraw/zinc/33/66/31/389336631.db2.gz WVEYVRQWUFVNSG-UHFFFAOYSA-N 2 2 259.313 0.575 20 0 CCADLP C[N@@H+](CCC(N)=O)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000367602930 389336634 /nfs/dbraw/zinc/33/66/34/389336634.db2.gz WVEYVRQWUFVNSG-UHFFFAOYSA-N 2 2 259.313 0.575 20 0 CCADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261556070 389271258 /nfs/dbraw/zinc/27/12/58/389271258.db2.gz BVQDEHSIIFUWRP-XQQFMLRXSA-N 2 2 253.390 0.831 20 0 CCADLP CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261556070 389271260 /nfs/dbraw/zinc/27/12/60/389271260.db2.gz BVQDEHSIIFUWRP-XQQFMLRXSA-N 2 2 253.390 0.831 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H]2CCOC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000343871363 389274779 /nfs/dbraw/zinc/27/47/79/389274779.db2.gz IWGHVEOXKCMMDQ-PMPSAXMXSA-N 2 2 281.444 0.981 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCOC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000343871363 389274781 /nfs/dbraw/zinc/27/47/81/389274781.db2.gz IWGHVEOXKCMMDQ-PMPSAXMXSA-N 2 2 281.444 0.981 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](C[C@H]2CCSC2)C1 ZINC000262021938 389280546 /nfs/dbraw/zinc/28/05/46/389280546.db2.gz WFCURIUOAYTLRH-CHWSQXEVSA-N 2 2 283.441 0.636 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C[C@H]2CCSC2)C1 ZINC000262021938 389280548 /nfs/dbraw/zinc/28/05/48/389280548.db2.gz WFCURIUOAYTLRH-CHWSQXEVSA-N 2 2 283.441 0.636 20 0 CCADLP Cn1ncc(Cl)c1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262107261 389281557 /nfs/dbraw/zinc/28/15/57/389281557.db2.gz JVTJWCZXZQJHJK-NSHDSACASA-N 2 2 283.807 0.553 20 0 CCADLP Cn1ncc(Cl)c1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262107261 389281559 /nfs/dbraw/zinc/28/15/59/389281559.db2.gz JVTJWCZXZQJHJK-NSHDSACASA-N 2 2 283.807 0.553 20 0 CCADLP C[C@H](CC(=O)NC[C@@H](C)[NH+]1CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000262664045 389292858 /nfs/dbraw/zinc/29/28/58/389292858.db2.gz HWBFFRMNWWBIOG-KFWWJZLASA-N 2 2 297.443 0.849 20 0 CCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000422032138 389392336 /nfs/dbraw/zinc/39/23/36/389392336.db2.gz DTIGXPMTGYUFMM-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000422032138 389392342 /nfs/dbraw/zinc/39/23/42/389392342.db2.gz DTIGXPMTGYUFMM-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CN(C)CC[NH+]1C ZINC000332920334 389393563 /nfs/dbraw/zinc/39/35/63/389393563.db2.gz AOMLPIDNYAZVMM-KBPBESRZSA-N 2 2 297.447 0.016 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CN(C)CC[NH+]1C ZINC000332920334 389393566 /nfs/dbraw/zinc/39/35/66/389393566.db2.gz AOMLPIDNYAZVMM-KBPBESRZSA-N 2 2 297.447 0.016 20 0 CCADLP CC[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000332920334 389393568 /nfs/dbraw/zinc/39/35/68/389393568.db2.gz AOMLPIDNYAZVMM-KBPBESRZSA-N 2 2 297.447 0.016 20 0 CCADLP CC[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000332920334 389393572 /nfs/dbraw/zinc/39/35/72/389393572.db2.gz AOMLPIDNYAZVMM-KBPBESRZSA-N 2 2 297.447 0.016 20 0 CCADLP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000369973120 389402334 /nfs/dbraw/zinc/40/23/34/389402334.db2.gz JZHUVNMYHMEOMT-LBPRGKRZSA-N 2 2 276.384 0.998 20 0 CCADLP CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000369973120 389402336 /nfs/dbraw/zinc/40/23/36/389402336.db2.gz JZHUVNMYHMEOMT-LBPRGKRZSA-N 2 2 276.384 0.998 20 0 CCADLP CC(C)OCC[NH+]1CCN(CCn2cc[nH+]c2)CC1 ZINC000162128469 389414494 /nfs/dbraw/zinc/41/44/94/389414494.db2.gz OSAFEHWLPSDWPK-UHFFFAOYSA-N 2 2 266.389 0.926 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000422733209 389461328 /nfs/dbraw/zinc/46/13/28/389461328.db2.gz QJUDLFPLICIHQN-CHWSQXEVSA-N 2 2 298.431 0.171 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000422733209 389461331 /nfs/dbraw/zinc/46/13/31/389461331.db2.gz QJUDLFPLICIHQN-CHWSQXEVSA-N 2 2 298.431 0.171 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000422750467 389467994 /nfs/dbraw/zinc/46/79/94/389467994.db2.gz AZGVTYZNXDERJZ-APIJFGDWSA-N 2 2 297.443 0.990 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000422750467 389467998 /nfs/dbraw/zinc/46/79/98/389467998.db2.gz AZGVTYZNXDERJZ-APIJFGDWSA-N 2 2 297.443 0.990 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422762102 389470068 /nfs/dbraw/zinc/47/00/68/389470068.db2.gz NKTOEXXBEUKKQL-IXXDHKBRSA-N 2 2 295.427 0.887 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422762102 389470070 /nfs/dbraw/zinc/47/00/70/389470070.db2.gz NKTOEXXBEUKKQL-IXXDHKBRSA-N 2 2 295.427 0.887 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)C[NH+]1CCOCC1 ZINC000422765847 389470543 /nfs/dbraw/zinc/47/05/43/389470543.db2.gz PLFILDQYYJKIAL-RBSFLKMASA-N 3 2 269.433 0.932 20 0 CCADLP C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000422808201 389479603 /nfs/dbraw/zinc/47/96/03/389479603.db2.gz NUJOBYWVKBFLSY-CABCVRRESA-N 2 2 295.427 0.555 20 0 CCADLP C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000422808201 389479604 /nfs/dbraw/zinc/47/96/04/389479604.db2.gz NUJOBYWVKBFLSY-CABCVRRESA-N 2 2 295.427 0.555 20 0 CCADLP CC(C)(C)NC(=O)C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422815775 389480527 /nfs/dbraw/zinc/48/05/27/389480527.db2.gz YJGVSSXMQZPMBR-AAEUAGOBSA-N 2 2 269.389 0.258 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC[C@H]1[NH3+] ZINC000422844623 389489781 /nfs/dbraw/zinc/48/97/81/389489781.db2.gz MLAWMCHHHWDUEB-BPLDGKMQSA-N 2 2 295.427 0.683 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC[C@H]1[NH3+] ZINC000422844623 389489782 /nfs/dbraw/zinc/48/97/82/389489782.db2.gz MLAWMCHHHWDUEB-BPLDGKMQSA-N 2 2 295.427 0.683 20 0 CCADLP CC[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)C(=O)N1CCOCC1 ZINC000422846055 389489789 /nfs/dbraw/zinc/48/97/89/389489789.db2.gz DQNSGKJWUFXNFK-UPJWGTAASA-N 2 2 269.389 0.354 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@H]([NH3+])C(C)C ZINC000422845008 389489975 /nfs/dbraw/zinc/48/99/75/389489975.db2.gz APZPBTDLCBFQOA-STQMWFEESA-N 2 2 271.405 0.587 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@H]([NH3+])C(C)C ZINC000422845008 389489978 /nfs/dbraw/zinc/48/99/78/389489978.db2.gz APZPBTDLCBFQOA-STQMWFEESA-N 2 2 271.405 0.587 20 0 CCADLP CCOC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000162628950 389422489 /nfs/dbraw/zinc/42/24/89/389422489.db2.gz GKIPNJQWVMCXEV-CYBMUJFWSA-N 2 2 297.399 0.178 20 0 CCADLP CCOC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000162628950 389422495 /nfs/dbraw/zinc/42/24/95/389422495.db2.gz GKIPNJQWVMCXEV-CYBMUJFWSA-N 2 2 297.399 0.178 20 0 CCADLP CC(C)NC(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371300728 389430466 /nfs/dbraw/zinc/43/04/66/389430466.db2.gz QIOUHQMAPQEHJQ-HZSPNIEDSA-N 2 2 283.416 0.695 20 0 CCADLP CC(C)NC(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371300728 389430469 /nfs/dbraw/zinc/43/04/69/389430469.db2.gz QIOUHQMAPQEHJQ-HZSPNIEDSA-N 2 2 283.416 0.695 20 0 CCADLP O=C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)NC[C@@H]1CCCO1 ZINC000333719185 389441398 /nfs/dbraw/zinc/44/13/98/389441398.db2.gz UGPBGZXQBYAZIZ-DZGCQCFKSA-N 2 2 281.400 0.357 20 0 CCADLP O=C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)NC[C@@H]1CCCO1 ZINC000333719185 389441402 /nfs/dbraw/zinc/44/14/02/389441402.db2.gz UGPBGZXQBYAZIZ-DZGCQCFKSA-N 2 2 281.400 0.357 20 0 CCADLP Nc1[nH+]cnc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1Cl ZINC000333922710 389449026 /nfs/dbraw/zinc/44/90/26/389449026.db2.gz RQZNUPJUGOTXAN-SFYZADRCSA-N 2 2 253.737 0.758 20 0 CCADLP Nc1nc[nH+]c(N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1Cl ZINC000333922710 389449030 /nfs/dbraw/zinc/44/90/30/389449030.db2.gz RQZNUPJUGOTXAN-SFYZADRCSA-N 2 2 253.737 0.758 20 0 CCADLP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422720823 389458550 /nfs/dbraw/zinc/45/85/50/389458550.db2.gz TYVCNCBKBVWLKC-KBPBESRZSA-N 3 2 282.432 0.271 20 0 CCADLP CC(C)[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000351200183 389568410 /nfs/dbraw/zinc/56/84/10/389568410.db2.gz INTDADUUJUHSFD-ZDUSSCGKSA-N 2 2 269.389 0.117 20 0 CCADLP CC(C)[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000351200183 389568416 /nfs/dbraw/zinc/56/84/16/389568416.db2.gz INTDADUUJUHSFD-ZDUSSCGKSA-N 2 2 269.389 0.117 20 0 CCADLP COC(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173945191 389512089 /nfs/dbraw/zinc/51/20/89/389512089.db2.gz UMLRLQIYHOHRLO-UHFFFAOYSA-N 2 2 270.373 0.736 20 0 CCADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000422980203 389516069 /nfs/dbraw/zinc/51/60/69/389516069.db2.gz OVEYXJCJHPIDLO-YOEHRIQHSA-N 3 2 289.423 0.821 20 0 CCADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000422980203 389516072 /nfs/dbraw/zinc/51/60/72/389516072.db2.gz OVEYXJCJHPIDLO-YOEHRIQHSA-N 3 2 289.423 0.821 20 0 CCADLP OCCC1(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CCC1 ZINC000422989572 389518515 /nfs/dbraw/zinc/51/85/15/389518515.db2.gz LWCVWRQVCPVXJR-KBPBESRZSA-N 2 2 268.401 0.896 20 0 CCADLP C[C@@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)[C@@H]1CCC[NH2+]1 ZINC000423024627 389523773 /nfs/dbraw/zinc/52/37/73/389523773.db2.gz JTDGYPKKKPNUBV-BNOWGMLFSA-N 2 2 253.390 0.580 20 0 CCADLP COC[C@H]([NH2+][C@H](C)C[C@H]1COCC[NH2+]1)[C@@H]1CCCO1 ZINC000423089767 389532472 /nfs/dbraw/zinc/53/24/72/389532472.db2.gz VWNKLMQDKBWKFD-RFGFWPKPSA-N 2 2 272.389 0.537 20 0 CCADLP C1=CCN(CC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000423096940 389534049 /nfs/dbraw/zinc/53/40/49/389534049.db2.gz QBVRKTAWSVBWII-GJZGRUSLSA-N 2 2 265.401 0.605 20 0 CCADLP C1=CC[N@H+](CCN[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000423096940 389534050 /nfs/dbraw/zinc/53/40/50/389534050.db2.gz QBVRKTAWSVBWII-GJZGRUSLSA-N 2 2 265.401 0.605 20 0 CCADLP C1=CC[N@@H+](CCN[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000423096940 389534053 /nfs/dbraw/zinc/53/40/53/389534053.db2.gz QBVRKTAWSVBWII-GJZGRUSLSA-N 2 2 265.401 0.605 20 0 CCADLP FC(F)OCCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423116507 389537743 /nfs/dbraw/zinc/53/77/43/389537743.db2.gz QCWYCGIYYLPHIL-GHMZBOCLSA-N 2 2 264.316 0.972 20 0 CCADLP C[C@H]1C[C@@H]([NH+](C)CCN2C(=O)CCC2=O)CC[N@@H+]1C ZINC000177059081 389570282 /nfs/dbraw/zinc/57/02/82/389570282.db2.gz AZURYMDGIOQGTI-RYUDHWBXSA-N 2 2 267.373 0.550 20 0 CCADLP C[C@H]1C[C@@H]([NH+](C)CCN2C(=O)CCC2=O)CC[N@H+]1C ZINC000177059081 389570284 /nfs/dbraw/zinc/57/02/84/389570284.db2.gz AZURYMDGIOQGTI-RYUDHWBXSA-N 2 2 267.373 0.550 20 0 CCADLP C[C@H]1C[C@@H]([N@H+](C)CCN2C(=O)CCC2=O)CC[NH+]1C ZINC000177059081 389570287 /nfs/dbraw/zinc/57/02/87/389570287.db2.gz AZURYMDGIOQGTI-RYUDHWBXSA-N 2 2 267.373 0.550 20 0 CCADLP C[C@H]1C[C@@H]([N@@H+](C)CCN2C(=O)CCC2=O)CC[NH+]1C ZINC000177059081 389570291 /nfs/dbraw/zinc/57/02/91/389570291.db2.gz AZURYMDGIOQGTI-RYUDHWBXSA-N 2 2 267.373 0.550 20 0 CCADLP C[C@H](CCO)CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423146264 389543625 /nfs/dbraw/zinc/54/36/25/389543625.db2.gz OYUREFDTAVJGOJ-UBHSHLNASA-N 2 2 256.390 0.752 20 0 CCADLP C[C@@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCCC[NH2+]1 ZINC000423147706 389544919 /nfs/dbraw/zinc/54/49/19/389544919.db2.gz DBNBCZOMZTUGMV-APIJFGDWSA-N 2 2 267.417 0.970 20 0 CCADLP C[C@@H](NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCCC[NH2+]1 ZINC000423147706 389544922 /nfs/dbraw/zinc/54/49/22/389544922.db2.gz DBNBCZOMZTUGMV-APIJFGDWSA-N 2 2 267.417 0.970 20 0 CCADLP C[C@@H](NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCCC[NH2+]1 ZINC000423147706 389544926 /nfs/dbraw/zinc/54/49/26/389544926.db2.gz DBNBCZOMZTUGMV-APIJFGDWSA-N 2 2 267.417 0.970 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCNC2=O)[C@H](C)C1 ZINC000175721688 389545366 /nfs/dbraw/zinc/54/53/66/389545366.db2.gz OINYBAZPMBZEJC-VXGBXAGGSA-N 2 2 282.388 0.200 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCNC2=O)[C@H](C)C1 ZINC000175721688 389545368 /nfs/dbraw/zinc/54/53/68/389545368.db2.gz OINYBAZPMBZEJC-VXGBXAGGSA-N 2 2 282.388 0.200 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCNC2=O)[C@H](C)C1 ZINC000175721688 389545370 /nfs/dbraw/zinc/54/53/70/389545370.db2.gz OINYBAZPMBZEJC-VXGBXAGGSA-N 2 2 282.388 0.200 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCNC2=O)[C@H](C)C1 ZINC000175721688 389545373 /nfs/dbraw/zinc/54/53/73/389545373.db2.gz OINYBAZPMBZEJC-VXGBXAGGSA-N 2 2 282.388 0.200 20 0 CCADLP CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000423159739 389546411 /nfs/dbraw/zinc/54/64/11/389546411.db2.gz PZGMBOUNTNETRJ-OUAUKWLOSA-N 2 2 263.407 0.044 20 0 CCADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000423185931 389550232 /nfs/dbraw/zinc/55/02/32/389550232.db2.gz JOIXVPIASBESRT-YPMHNXCESA-N 2 2 297.424 0.997 20 0 CCADLP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)CC[NH2+]CC1 ZINC000423197093 389551681 /nfs/dbraw/zinc/55/16/81/389551681.db2.gz XROZDTADOUMLEC-CHWSQXEVSA-N 3 2 283.416 0.649 20 0 CCADLP C([NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)[C@@H]1CCC[NH2+]C1 ZINC000423207078 389553223 /nfs/dbraw/zinc/55/32/23/389553223.db2.gz GOOJDVWSDRILKB-KWCYVHTRSA-N 3 2 253.390 0.343 20 0 CCADLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1ccc(S(N)(=O)=O)cc1 ZINC000423354294 389571396 /nfs/dbraw/zinc/57/13/96/389571396.db2.gz CPZOAGAIPIRPTC-COPLHBTASA-N 2 2 297.424 0.983 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1[NH2+]CCCC1(C)C)[NH+]1CCOCC1 ZINC000423317612 389564350 /nfs/dbraw/zinc/56/43/50/389564350.db2.gz CPOVECVWOUQMMF-OLZOCXBDSA-N 2 2 283.416 0.602 20 0 CCADLP COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1CCn1cc[nH+]c1C ZINC000351103340 389564791 /nfs/dbraw/zinc/56/47/91/389564791.db2.gz QYXYWNLLYNZPNG-OLZOCXBDSA-N 2 2 281.356 0.844 20 0 CCADLP COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1CCn1cc[nH+]c1C ZINC000351103340 389564795 /nfs/dbraw/zinc/56/47/95/389564795.db2.gz QYXYWNLLYNZPNG-OLZOCXBDSA-N 2 2 281.356 0.844 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccnn2C)CC1 ZINC000274201762 389497661 /nfs/dbraw/zinc/49/76/61/389497661.db2.gz KVSBCRDZBNBFEM-UHFFFAOYSA-N 2 2 294.399 0.927 20 0 CCADLP COC[C@]1(C[NH2+][C@@H](C)C[C@@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000414950524 389646798 /nfs/dbraw/zinc/64/67/98/389646798.db2.gz FHGFIFOPTQSTJS-MELADBBJSA-N 3 2 255.406 0.875 20 0 CCADLP C[NH+]1CCC(CC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000374912042 389619240 /nfs/dbraw/zinc/61/92/40/389619240.db2.gz CZXDHWYQPSABCZ-CYBMUJFWSA-N 2 2 269.389 0.165 20 0 CCADLP Cc1c([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cnn1C ZINC000351591506 389624441 /nfs/dbraw/zinc/62/44/41/389624441.db2.gz FJZLPXRHFRJNGS-GWCFXTLKSA-N 2 2 266.389 0.834 20 0 CCADLP Cc1c([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cnn1C ZINC000351591506 389624444 /nfs/dbraw/zinc/62/44/44/389624444.db2.gz FJZLPXRHFRJNGS-GWCFXTLKSA-N 2 2 266.389 0.834 20 0 CCADLP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000414647855 389624973 /nfs/dbraw/zinc/62/49/73/389624973.db2.gz AJBPGGNCLWFURA-GFCCVEGCSA-N 3 2 270.421 0.161 20 0 CCADLP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000414647855 389624980 /nfs/dbraw/zinc/62/49/80/389624980.db2.gz AJBPGGNCLWFURA-GFCCVEGCSA-N 3 2 270.421 0.161 20 0 CCADLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(CO)o2)CC1 ZINC000178873689 389626974 /nfs/dbraw/zinc/62/69/74/389626974.db2.gz LWLLQVPOFDYGQB-UHFFFAOYSA-N 2 2 268.357 0.660 20 0 CCADLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(CO)o2)CC1 ZINC000178873689 389626978 /nfs/dbraw/zinc/62/69/78/389626978.db2.gz LWLLQVPOFDYGQB-UHFFFAOYSA-N 2 2 268.357 0.660 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000414743830 389634201 /nfs/dbraw/zinc/63/42/01/389634201.db2.gz PFLRIKWXEDACTM-QWRGUYRKSA-N 2 2 263.407 0.113 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000414743830 389634202 /nfs/dbraw/zinc/63/42/02/389634202.db2.gz PFLRIKWXEDACTM-QWRGUYRKSA-N 2 2 263.407 0.113 20 0 CCADLP COCCCn1nccc1C[N@H+](C)C1CC([NH3+])C1 ZINC000414767927 389636829 /nfs/dbraw/zinc/63/68/29/389636829.db2.gz HAAFTGOYTLXDES-UHFFFAOYSA-N 2 2 252.362 0.841 20 0 CCADLP COCCCn1nccc1C[N@@H+](C)C1CC([NH3+])C1 ZINC000414767927 389636835 /nfs/dbraw/zinc/63/68/35/389636835.db2.gz HAAFTGOYTLXDES-UHFFFAOYSA-N 2 2 252.362 0.841 20 0 CCADLP CN(CCC[NH+]1CCCC1)c1nc2c(cnn2C)c(N)[nH+]1 ZINC000281948678 389638777 /nfs/dbraw/zinc/63/87/77/389638777.db2.gz SCKJZULRMYPSHO-UHFFFAOYSA-N 2 2 289.387 0.868 20 0 CCADLP COC(=O)CCn1nc(C)c(C[NH2+]C[C@H]2CCC[NH2+]2)c1C ZINC000414841963 389640032 /nfs/dbraw/zinc/64/00/32/389640032.db2.gz IHXYVSXXLOFZEG-CYBMUJFWSA-N 2 2 294.399 0.905 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCOC1 ZINC000179152791 389641798 /nfs/dbraw/zinc/64/17/98/389641798.db2.gz RIPAQHBZFWIHDH-ZDUSSCGKSA-N 2 2 298.431 0.443 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCOC1 ZINC000179152791 389641802 /nfs/dbraw/zinc/64/18/02/389641802.db2.gz RIPAQHBZFWIHDH-ZDUSSCGKSA-N 2 2 298.431 0.443 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)cc1 ZINC000414967200 389648795 /nfs/dbraw/zinc/64/87/95/389648795.db2.gz PTINXBCZUQKSEX-AWEZNQCLSA-N 2 2 277.368 0.466 20 0 CCADLP COC(=O)[C@@H](C)Oc1ccc(C[N@H+](CC[NH3+])CCO)cc1 ZINC000414907861 389644557 /nfs/dbraw/zinc/64/45/57/389644557.db2.gz DQYTUQGTDUTGOV-GFCCVEGCSA-N 2 2 296.367 0.380 20 0 CCADLP COC(=O)[C@@H](C)Oc1ccc(C[N@@H+](CC[NH3+])CCO)cc1 ZINC000414907861 389644560 /nfs/dbraw/zinc/64/45/60/389644560.db2.gz DQYTUQGTDUTGOV-GFCCVEGCSA-N 2 2 296.367 0.380 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC000423373198 389575368 /nfs/dbraw/zinc/57/53/68/389575368.db2.gz IWPPFYVKFNRCHJ-JHJVBQTASA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC000423373198 389575369 /nfs/dbraw/zinc/57/53/69/389575369.db2.gz IWPPFYVKFNRCHJ-JHJVBQTASA-N 2 2 269.389 0.211 20 0 CCADLP CCNC(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000374419911 389578676 /nfs/dbraw/zinc/57/86/76/389578676.db2.gz JKVIJIRIECBGGM-YNEHKIRRSA-N 2 2 269.389 0.306 20 0 CCADLP CCNC(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000374419911 389578681 /nfs/dbraw/zinc/57/86/81/389578681.db2.gz JKVIJIRIECBGGM-YNEHKIRRSA-N 2 2 269.389 0.306 20 0 CCADLP CC(C)C(=O)NC1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351390084 389580745 /nfs/dbraw/zinc/58/07/45/389580745.db2.gz VIXIFJLBJRDNQO-HNNXBMFYSA-N 2 2 297.443 0.678 20 0 CCADLP CC(C)C(=O)NC1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351390084 389580748 /nfs/dbraw/zinc/58/07/48/389580748.db2.gz VIXIFJLBJRDNQO-HNNXBMFYSA-N 2 2 297.443 0.678 20 0 CCADLP COCCOc1ccc(C[N@H+](CC[NH3+])CCO)cc1 ZINC000414906905 389645336 /nfs/dbraw/zinc/64/53/36/389645336.db2.gz CRNKYQIFJYKOLY-UHFFFAOYSA-N 2 2 268.357 0.465 20 0 CCADLP COCCOc1ccc(C[N@@H+](CC[NH3+])CCO)cc1 ZINC000414906905 389645339 /nfs/dbraw/zinc/64/53/39/389645339.db2.gz CRNKYQIFJYKOLY-UHFFFAOYSA-N 2 2 268.357 0.465 20 0 CCADLP C[C@H]1C[N@H+](Cc2c[nH+]c(N(C)C)n2C)CC[C@H]1O ZINC000425330955 389645585 /nfs/dbraw/zinc/64/55/85/389645585.db2.gz BHZFPXMNHUEPTJ-CMPLNLGQSA-N 2 2 252.362 0.689 20 0 CCADLP C[C@H]1C[N@@H+](Cc2c[nH+]c(N(C)C)n2C)CC[C@H]1O ZINC000425330955 389645590 /nfs/dbraw/zinc/64/55/90/389645590.db2.gz BHZFPXMNHUEPTJ-CMPLNLGQSA-N 2 2 252.362 0.689 20 0 CCADLP CC(C)N1CC[C@@H]([N@@H+]2CC[C@H](C[NH+](C)C)C2)C1=O ZINC000177682235 389590523 /nfs/dbraw/zinc/59/05/23/389590523.db2.gz BRHMEBBXWXCTSR-CHWSQXEVSA-N 2 2 253.390 0.879 20 0 CCADLP CC(C)N1CC[C@@H]([N@H+]2CC[C@H](C[NH+](C)C)C2)C1=O ZINC000177682235 389590529 /nfs/dbraw/zinc/59/05/29/389590529.db2.gz BRHMEBBXWXCTSR-CHWSQXEVSA-N 2 2 253.390 0.879 20 0 CCADLP CC(C)n1c[nH+]cc1C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000425337045 389645688 /nfs/dbraw/zinc/64/56/88/389645688.db2.gz MIUHNIUBTYQNQC-CQSZACIVSA-N 2 2 264.373 0.980 20 0 CCADLP CC(C)n1c[nH+]cc1C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000425337045 389645695 /nfs/dbraw/zinc/64/56/95/389645695.db2.gz MIUHNIUBTYQNQC-CQSZACIVSA-N 2 2 264.373 0.980 20 0 CCADLP CC(=O)NC[C@@H]1C[N@@H+](CCCCn2cc[nH+]c2C)CCO1 ZINC000179442023 260049339 /nfs/dbraw/zinc/04/93/39/260049339.db2.gz LNZMIUFIJCZBNG-OAHLLOKOSA-N 2 2 294.399 0.809 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423484617 389593688 /nfs/dbraw/zinc/59/36/88/389593688.db2.gz ABVLDQLLWYTKRV-FXUDXRNXSA-N 3 2 280.460 0.790 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+](CC(N)=O)C(C)(C)C)C1CC1 ZINC000351533350 389606937 /nfs/dbraw/zinc/60/69/37/389606937.db2.gz IKCYZCXBFRAUNB-LLVKDONJSA-N 2 2 257.378 0.027 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+](CC(N)=O)C(C)(C)C)C1CC1 ZINC000351533350 389606941 /nfs/dbraw/zinc/60/69/41/389606941.db2.gz IKCYZCXBFRAUNB-LLVKDONJSA-N 2 2 257.378 0.027 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+](CC(N)=O)C(C)(C)C)C1CC1 ZINC000351533350 389606945 /nfs/dbraw/zinc/60/69/45/389606945.db2.gz IKCYZCXBFRAUNB-LLVKDONJSA-N 2 2 257.378 0.027 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+](CC(N)=O)C(C)(C)C)C1CC1 ZINC000351533350 389606948 /nfs/dbraw/zinc/60/69/48/389606948.db2.gz IKCYZCXBFRAUNB-LLVKDONJSA-N 2 2 257.378 0.027 20 0 CCADLP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1nccn1C ZINC000182819261 389717800 /nfs/dbraw/zinc/71/78/00/389717800.db2.gz GLTALHWSAREJJS-LBPRGKRZSA-N 2 2 279.388 0.235 20 0 CCADLP CCOC(=O)C1CCC([NH2+]C[C@@H]2C[NH2+]CCO2)CC1 ZINC000415096219 389657877 /nfs/dbraw/zinc/65/78/77/389657877.db2.gz PKIRIIINLWNVOY-BPCQOVAHSA-N 2 2 270.373 0.686 20 0 CCADLP Cn1cc(CN2C[C@@H](F)C[C@H]2C[NH2+][C@H]2CCC[NH2+]C2)cn1 ZINC000415108775 389660888 /nfs/dbraw/zinc/66/08/88/389660888.db2.gz QLPJTBKQDMTVEP-KKUMJFAQSA-N 2 2 295.406 0.674 20 0 CCADLP COC(=O)C[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351715882 389664896 /nfs/dbraw/zinc/66/48/96/389664896.db2.gz KWBVFXFHEYBFGQ-OLZOCXBDSA-N 2 2 270.373 0.469 20 0 CCADLP COC(=O)C[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351715882 389664897 /nfs/dbraw/zinc/66/48/97/389664897.db2.gz KWBVFXFHEYBFGQ-OLZOCXBDSA-N 2 2 270.373 0.469 20 0 CCADLP COC(=O)C[C@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351715882 389664899 /nfs/dbraw/zinc/66/48/99/389664899.db2.gz KWBVFXFHEYBFGQ-OLZOCXBDSA-N 2 2 270.373 0.469 20 0 CCADLP COC(=O)C[C@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351715882 389664901 /nfs/dbraw/zinc/66/49/01/389664901.db2.gz KWBVFXFHEYBFGQ-OLZOCXBDSA-N 2 2 270.373 0.469 20 0 CCADLP COC(=O)[C@@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375891966 389722632 /nfs/dbraw/zinc/72/26/32/389722632.db2.gz SMSHXVFNLNLRHR-ZIAGYGMSSA-N 2 2 283.416 0.648 20 0 CCADLP Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000181062146 389680624 /nfs/dbraw/zinc/68/06/24/389680624.db2.gz QBBBHTKDYTUWLD-OAHLLOKOSA-N 2 2 290.411 0.936 20 0 CCADLP Cn1cccc1[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000181062146 389680628 /nfs/dbraw/zinc/68/06/28/389680628.db2.gz QBBBHTKDYTUWLD-OAHLLOKOSA-N 2 2 290.411 0.936 20 0 CCADLP CC[C@@H](C(=O)N[C@@H]1CCn2cc[nH+]c2C1)[NH+](C)C ZINC000428345047 389693614 /nfs/dbraw/zinc/69/36/14/389693614.db2.gz BGKRDRCPDRELRZ-MNOVXSKESA-N 2 2 250.346 0.654 20 0 CCADLP COc1coc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1=O ZINC000351857465 389699820 /nfs/dbraw/zinc/69/98/20/389699820.db2.gz BNDHDUGAAJJOSU-NXEZZACHSA-N 2 2 252.314 0.818 20 0 CCADLP COc1coc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1=O ZINC000351857465 389699825 /nfs/dbraw/zinc/69/98/25/389699825.db2.gz BNDHDUGAAJJOSU-NXEZZACHSA-N 2 2 252.314 0.818 20 0 CCADLP CC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000182238364 389703913 /nfs/dbraw/zinc/70/39/13/389703913.db2.gz QIQYWWVUGXPGGH-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP C[NH2+]CC1CCN(C(=O)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000429426037 389755725 /nfs/dbraw/zinc/75/57/25/389755725.db2.gz MPMXCZKNCUYPLC-LBPRGKRZSA-N 2 2 269.389 0.165 20 0 CCADLP C[N@H+](CC[NH2+]C[C@H](O)Cn1cccn1)Cc1ccccc1 ZINC000387497416 389766613 /nfs/dbraw/zinc/76/66/13/389766613.db2.gz XFBUZXYRFPVJES-INIZCTEOSA-N 2 2 288.395 0.966 20 0 CCADLP C[N@@H+](CC[NH2+]C[C@H](O)Cn1cccn1)Cc1ccccc1 ZINC000387497416 389766615 /nfs/dbraw/zinc/76/66/15/389766615.db2.gz XFBUZXYRFPVJES-INIZCTEOSA-N 2 2 288.395 0.966 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000416837728 389775187 /nfs/dbraw/zinc/77/51/87/389775187.db2.gz ARWPTVMWFCFKKW-GHMZBOCLSA-N 2 2 251.334 0.180 20 0 CCADLP C[C@H]1CN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[NH2+]1 ZINC000416834337 389775263 /nfs/dbraw/zinc/77/52/63/389775263.db2.gz WWUNRAOUMPBGTK-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H](CC[NH3+])NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000416946277 389783532 /nfs/dbraw/zinc/78/35/32/389783532.db2.gz NXVPXSVYZOVCPY-LLVKDONJSA-N 2 2 275.356 0.913 20 0 CCADLP C[C@@H](CC[NH3+])NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000417003299 389788192 /nfs/dbraw/zinc/78/81/92/389788192.db2.gz GZXZLCOJOYMPQA-JTQLQIEISA-N 2 2 265.361 0.684 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000352315311 389789327 /nfs/dbraw/zinc/78/93/27/389789327.db2.gz VBIQECJPXMEUSI-LBPRGKRZSA-N 2 2 288.417 0.533 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000417015060 389789531 /nfs/dbraw/zinc/78/95/31/389789531.db2.gz LXTOBDQOWDLNDZ-DGCLKSJQSA-N 2 2 291.399 0.945 20 0 CCADLP CC(C)[C@H](C(=O)NCC(C)(C)[NH+]1CCOCC1)[C@@H](C)[NH3+] ZINC000399617154 389792725 /nfs/dbraw/zinc/79/27/25/389792725.db2.gz ZMBCHQFHSOQCAS-OLZOCXBDSA-N 2 2 285.432 0.833 20 0 CCADLP O=C(NCCCNc1cccc[nH+]1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417075298 389793691 /nfs/dbraw/zinc/79/36/91/389793691.db2.gz JOSHAHDCSUSYQN-BETUJISGSA-N 2 2 289.383 0.744 20 0 CCADLP C[C@H](C[NH3+])CNC(=O)NCCCNc1cccc[nH+]1 ZINC000417078314 389794545 /nfs/dbraw/zinc/79/45/45/389794545.db2.gz LZDPRBZEPBAJIJ-LLVKDONJSA-N 2 2 265.361 0.778 20 0 CCADLP COC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)[C@@H]1CCCO1 ZINC000352358924 389796805 /nfs/dbraw/zinc/79/68/05/389796805.db2.gz ZYQHJKNBDFKIIR-RDBSUJKOSA-N 2 2 272.389 0.225 20 0 CCADLP COC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCCO1 ZINC000352358924 389796809 /nfs/dbraw/zinc/79/68/09/389796809.db2.gz ZYQHJKNBDFKIIR-RDBSUJKOSA-N 2 2 272.389 0.225 20 0 CCADLP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)[C@H]1CCC[NH2+]1 ZINC000400449757 389797378 /nfs/dbraw/zinc/79/73/78/389797378.db2.gz QNJPAMMAWWAMJA-UONOGXRCSA-N 3 2 268.449 0.743 20 0 CCADLP Cc1ncc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cn1 ZINC000352028950 389739187 /nfs/dbraw/zinc/73/91/87/389739187.db2.gz QRLRRGKTPTWNDC-UHFFFAOYSA-N 2 2 264.373 0.674 20 0 CCADLP Cc1ncc(C[N@H+](CCO)C2CC[NH+](C)CC2)cn1 ZINC000352028950 389739188 /nfs/dbraw/zinc/73/91/88/389739188.db2.gz QRLRRGKTPTWNDC-UHFFFAOYSA-N 2 2 264.373 0.674 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)NCCCn1cc[nH+]c1 ZINC000416432879 389742573 /nfs/dbraw/zinc/74/25/73/389742573.db2.gz MINWZTLUZKMHNA-LLVKDONJSA-N 2 2 253.350 0.556 20 0 CCADLP CC[NH2+]CC1CCN(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000416434456 389742805 /nfs/dbraw/zinc/74/28/05/389742805.db2.gz USWNCKMUQPMPMG-UHFFFAOYSA-N 2 2 298.431 0.350 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000416432412 389742808 /nfs/dbraw/zinc/74/28/08/389742808.db2.gz KBHZJLUERMQBQN-NWDGAFQWSA-N 2 2 265.361 0.794 20 0 CCADLP [NH3+]C[C@H](NC(=O)NCC[NH+]1CCOCC1)C1CCCC1 ZINC000416440064 389743786 /nfs/dbraw/zinc/74/37/86/389743786.db2.gz CJSBGWLUFSSQSO-ZDUSSCGKSA-N 2 2 284.404 0.135 20 0 CCADLP C[C@H]1CCN(C(=O)NCCCn2cc[nH+]c2)C[C@H]1C[NH3+] ZINC000416450320 389745067 /nfs/dbraw/zinc/74/50/67/389745067.db2.gz XLXQYPRJCHIKOZ-QWHCGFSZSA-N 2 2 279.388 0.900 20 0 CCADLP C[C@@H](C(=O)N1CCC[C@@H]([NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000430437981 389801542 /nfs/dbraw/zinc/80/15/42/389801542.db2.gz WXWQTYBOXXQOPI-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000430548438 389807157 /nfs/dbraw/zinc/80/71/57/389807157.db2.gz WOJGTAXLUFSNTM-HUUCEWRRSA-N 3 2 298.475 0.844 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000430548438 389807159 /nfs/dbraw/zinc/80/71/59/389807159.db2.gz WOJGTAXLUFSNTM-HUUCEWRRSA-N 3 2 298.475 0.844 20 0 CCADLP CCCCNC(=O)NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000430565442 389808271 /nfs/dbraw/zinc/80/82/71/389808271.db2.gz ADFDIKRHGKXRGM-ZDUSSCGKSA-N 2 2 272.393 0.575 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000430575808 389809360 /nfs/dbraw/zinc/80/93/60/389809360.db2.gz AHSVJRNSKUOWRZ-UONOGXRCSA-N 2 2 293.415 0.831 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000430575808 389809363 /nfs/dbraw/zinc/80/93/63/389809363.db2.gz AHSVJRNSKUOWRZ-UONOGXRCSA-N 2 2 293.415 0.831 20 0 CCADLP CCc1cc(N2CC[C@@H]3OCC[NH2+][C@H]3C2)nc(C)[nH+]1 ZINC000404286572 389810982 /nfs/dbraw/zinc/81/09/82/389810982.db2.gz XWTDBSWQCRTQHR-STQMWFEESA-N 2 2 262.357 0.915 20 0 CCADLP Cc1cc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)sn1 ZINC000404359553 389811160 /nfs/dbraw/zinc/81/11/60/389811160.db2.gz DOGQHXPOFQAXMT-UHFFFAOYSA-N 2 2 268.386 0.315 20 0 CCADLP c1c(C2CC[NH2+]CC2)nnn1CC[NH+]1CCOCC1 ZINC000405025308 389812920 /nfs/dbraw/zinc/81/29/20/389812920.db2.gz NORRUOSMEQUUBA-UHFFFAOYSA-N 2 2 265.361 0.077 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)NCCC[NH2+]C2CC2)CCO1 ZINC000417426301 389815200 /nfs/dbraw/zinc/81/52/00/389815200.db2.gz NGJUCHVTSYNWJL-UHFFFAOYSA-N 2 2 298.431 0.539 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)NCCC[NH2+]C2CC2)CCO1 ZINC000417426301 389815203 /nfs/dbraw/zinc/81/52/03/389815203.db2.gz NGJUCHVTSYNWJL-UHFFFAOYSA-N 2 2 298.431 0.539 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430654701 389816572 /nfs/dbraw/zinc/81/65/72/389816572.db2.gz QSXXWALWUGDGPO-CQSZACIVSA-N 2 2 285.432 0.836 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430654701 389816574 /nfs/dbraw/zinc/81/65/74/389816574.db2.gz QSXXWALWUGDGPO-CQSZACIVSA-N 2 2 285.432 0.836 20 0 CCADLP COc1ccccc1[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000430726625 389821302 /nfs/dbraw/zinc/82/13/02/389821302.db2.gz FCJZCEAZHYPREL-FZMZJTMJSA-N 2 2 277.368 0.858 20 0 CCADLP COc1ccccc1[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000430726625 389821304 /nfs/dbraw/zinc/82/13/04/389821304.db2.gz FCJZCEAZHYPREL-FZMZJTMJSA-N 2 2 277.368 0.858 20 0 CCADLP CN(C(=O)NCC[N@@H+]1CCOCC1(C)C)C1CC[NH2+]CC1 ZINC000417499254 389821881 /nfs/dbraw/zinc/82/18/81/389821881.db2.gz FPOFBTVDAUYBIL-UHFFFAOYSA-N 2 2 298.431 0.491 20 0 CCADLP CN(C(=O)NCC[N@H+]1CCOCC1(C)C)C1CC[NH2+]CC1 ZINC000417499254 389821884 /nfs/dbraw/zinc/82/18/84/389821884.db2.gz FPOFBTVDAUYBIL-UHFFFAOYSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H](NC(=O)NCC(C)(C)[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000417515637 389823841 /nfs/dbraw/zinc/82/38/41/389823841.db2.gz DRLHRVOSADRONV-MNOVXSKESA-N 2 2 272.393 0.132 20 0 CCADLP C[C@H](CC[NH3+])NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000417515393 389823884 /nfs/dbraw/zinc/82/38/84/389823884.db2.gz CXPODCUWTJNQJB-IJLUTSLNSA-N 2 2 272.393 0.132 20 0 CCADLP C[C@@H](NC(=O)N1CC[NH2+][C@@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000417515462 389824165 /nfs/dbraw/zinc/82/41/65/389824165.db2.gz DIZQVFJLIZWMLD-XQQFMLRXSA-N 2 2 284.404 0.099 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000417512572 389824263 /nfs/dbraw/zinc/82/42/63/389824263.db2.gz VNVDHPOHTJPIMN-LBPRGKRZSA-N 2 2 284.404 0.134 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000417512572 389824265 /nfs/dbraw/zinc/82/42/65/389824265.db2.gz VNVDHPOHTJPIMN-LBPRGKRZSA-N 2 2 284.404 0.134 20 0 CCADLP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000417513319 389824469 /nfs/dbraw/zinc/82/44/69/389824469.db2.gz XKBOLVVJBBGNPC-STQMWFEESA-N 2 2 298.431 0.476 20 0 CCADLP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000417513319 389824471 /nfs/dbraw/zinc/82/44/71/389824471.db2.gz XKBOLVVJBBGNPC-STQMWFEESA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000417527974 389826854 /nfs/dbraw/zinc/82/68/54/389826854.db2.gz OOZJASVOIQEKFE-CYBMUJFWSA-N 2 2 298.431 0.396 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000417527974 389826856 /nfs/dbraw/zinc/82/68/56/389826856.db2.gz OOZJASVOIQEKFE-CYBMUJFWSA-N 2 2 298.431 0.396 20 0 CCADLP CCC[C@H]1C[NH2+]CCN1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000417529615 389826945 /nfs/dbraw/zinc/82/69/45/389826945.db2.gz QYSMUMCECWFHAY-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[C@H]1C[NH2+]CCN1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000417529615 389826947 /nfs/dbraw/zinc/82/69/47/389826947.db2.gz QYSMUMCECWFHAY-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000430878265 389830855 /nfs/dbraw/zinc/83/08/55/389830855.db2.gz HUJVRKRIPXALCF-WDEREUQCSA-N 2 2 257.378 0.197 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000430878265 389830858 /nfs/dbraw/zinc/83/08/58/389830858.db2.gz HUJVRKRIPXALCF-WDEREUQCSA-N 2 2 257.378 0.197 20 0 CCADLP COc1ccccc1[C@H]([NH3+])C(=O)NCc1[nH+]ccn1C ZINC000430894902 389832340 /nfs/dbraw/zinc/83/23/40/389832340.db2.gz QHTNLCLIZAWAAC-ZDUSSCGKSA-N 2 2 274.324 0.745 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430919408 389835007 /nfs/dbraw/zinc/83/50/07/389835007.db2.gz KYKCTEZMBAPDGG-FDYHWXHSSA-N 2 2 269.389 0.339 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430919408 389835012 /nfs/dbraw/zinc/83/50/12/389835012.db2.gz KYKCTEZMBAPDGG-FDYHWXHSSA-N 2 2 269.389 0.339 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(OC)cc2)C1 ZINC000430928150 389835843 /nfs/dbraw/zinc/83/58/43/389835843.db2.gz KMPSWPMLPUKLRG-AWEZNQCLSA-N 2 2 291.395 0.853 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(OC)cc2)C1 ZINC000430928150 389835845 /nfs/dbraw/zinc/83/58/45/389835845.db2.gz KMPSWPMLPUKLRG-AWEZNQCLSA-N 2 2 291.395 0.853 20 0 CCADLP Cc1cccc(OCCNC(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000430935283 389836872 /nfs/dbraw/zinc/83/68/72/389836872.db2.gz SPOJCVFOVIFDBQ-AWEZNQCLSA-N 2 2 291.395 0.771 20 0 CCADLP Cc1cccc(OCCNC(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000430935283 389836874 /nfs/dbraw/zinc/83/68/74/389836874.db2.gz SPOJCVFOVIFDBQ-AWEZNQCLSA-N 2 2 291.395 0.771 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000430932574 389836883 /nfs/dbraw/zinc/83/68/83/389836883.db2.gz FKFMYGTZXGTHKA-RYUDHWBXSA-N 2 2 284.404 0.398 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NCC(C)C)C1 ZINC000430932574 389836884 /nfs/dbraw/zinc/83/68/84/389836884.db2.gz FKFMYGTZXGTHKA-RYUDHWBXSA-N 2 2 284.404 0.398 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)NCc2cccnc2)CC[C@@H]1[NH3+] ZINC000430956928 389839835 /nfs/dbraw/zinc/83/98/35/389839835.db2.gz QPTGVZBIYPGRNP-AAEUAGOBSA-N 2 2 262.357 0.367 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)NCc2cccnc2)CC[C@@H]1[NH3+] ZINC000430956928 389839836 /nfs/dbraw/zinc/83/98/36/389839836.db2.gz QPTGVZBIYPGRNP-AAEUAGOBSA-N 2 2 262.357 0.367 20 0 CCADLP C[C@@H]([NH3+])C(=O)NC1(c2noc(C[NH+](C)C)n2)CCCC1 ZINC000431039428 389847420 /nfs/dbraw/zinc/84/74/20/389847420.db2.gz RSTSRBPFOOEVCW-SECBINFHSA-N 2 2 281.360 0.364 20 0 CCADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)no1 ZINC000431039013 389847624 /nfs/dbraw/zinc/84/76/24/389847624.db2.gz GBXGJPIPSFSWRI-NXEZZACHSA-N 2 2 295.387 0.610 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)C1 ZINC000353570371 389853524 /nfs/dbraw/zinc/85/35/24/389853524.db2.gz SIZJORIFARPETF-ADVQIIOHSA-N 2 2 295.427 0.742 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCC(=O)N[C@@H]2[C@@H]2CCCO2)C1 ZINC000353570371 389853527 /nfs/dbraw/zinc/85/35/27/389853527.db2.gz SIZJORIFARPETF-ADVQIIOHSA-N 2 2 295.427 0.742 20 0 CCADLP C[C@@H](NC(=O)[C@H]([NH3+])c1c(F)cccc1F)[C@H](C)[NH3+] ZINC000417850660 389856836 /nfs/dbraw/zinc/85/68/36/389856836.db2.gz MMNHOPRWXLUNFT-MVKOHCKWSA-N 2 2 257.284 0.817 20 0 CCADLP Cc1cc(NC(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)n(C)n1 ZINC000442751521 389861039 /nfs/dbraw/zinc/86/10/39/389861039.db2.gz CBFFDPMMILBTLJ-FUNVUKJBSA-N 2 2 291.399 0.882 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)n(C)n1 ZINC000442751521 389861041 /nfs/dbraw/zinc/86/10/41/389861041.db2.gz CBFFDPMMILBTLJ-FUNVUKJBSA-N 2 2 291.399 0.882 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CCC(=O)NCC[NH+]1CCOCC1 ZINC000431620634 389863460 /nfs/dbraw/zinc/86/34/60/389863460.db2.gz ADAIBIFZGPNLMA-AWEZNQCLSA-N 2 2 283.416 0.699 20 0 CCADLP C[N@H+]1CCCC[C@H]1CCC(=O)NCC[NH+]1CCOCC1 ZINC000431620634 389863463 /nfs/dbraw/zinc/86/34/63/389863463.db2.gz ADAIBIFZGPNLMA-AWEZNQCLSA-N 2 2 283.416 0.699 20 0 CCADLP COCCN1CC[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000432364134 389879075 /nfs/dbraw/zinc/87/90/75/389879075.db2.gz ZTAQRSSQFUCELH-HZPDHXFCSA-N 2 2 299.459 0.798 20 0 CCADLP COCCN1CC[C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC000432364134 389879077 /nfs/dbraw/zinc/87/90/77/389879077.db2.gz ZTAQRSSQFUCELH-HZPDHXFCSA-N 2 2 299.459 0.798 20 0 CCADLP CC(C)[C@@H](C[NH3+])C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000433171928 389903575 /nfs/dbraw/zinc/90/35/75/389903575.db2.gz FZJPRMBPBGYMJG-GFCCVEGCSA-N 2 2 279.388 0.285 20 0 CCADLP C[C@@H]1C[NH2+]CCN1c1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000420219576 389967251 /nfs/dbraw/zinc/96/72/51/389967251.db2.gz QTVVPRSGDCRKED-CHWSQXEVSA-N 2 2 291.399 0.626 20 0 CCADLP CC(C)c1nc(N2CC[NH2+][C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000420232541 389969435 /nfs/dbraw/zinc/96/94/35/389969435.db2.gz DNGDNGOXGNMQOF-SNVBAGLBSA-N 2 2 264.377 0.859 20 0 CCADLP [NH3+]CC[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000420233645 389970044 /nfs/dbraw/zinc/97/00/44/389970044.db2.gz ABYAUQPHOYSNOF-CYBMUJFWSA-N 2 2 291.399 0.878 20 0 CCADLP [NH3+]CC[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000420233645 389970047 /nfs/dbraw/zinc/97/00/47/389970047.db2.gz ABYAUQPHOYSNOF-CYBMUJFWSA-N 2 2 291.399 0.878 20 0 CCADLP Cn1ncc(Cl)c1C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000436251024 389973753 /nfs/dbraw/zinc/97/37/53/389973753.db2.gz ZZOKLWVIXQJMER-LLVKDONJSA-N 2 2 299.806 0.503 20 0 CCADLP Cn1ncc(Cl)c1C[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000436251024 389973755 /nfs/dbraw/zinc/97/37/55/389973755.db2.gz ZZOKLWVIXQJMER-LLVKDONJSA-N 2 2 299.806 0.503 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1(N2CCOCC2)CC1 ZINC000446974084 389943585 /nfs/dbraw/zinc/94/35/85/389943585.db2.gz GWVZNXGKXOIMGV-ZFWWWQNUSA-N 2 2 279.428 0.924 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1(N2CCOCC2)CC1 ZINC000446974084 389943588 /nfs/dbraw/zinc/94/35/88/389943588.db2.gz GWVZNXGKXOIMGV-ZFWWWQNUSA-N 2 2 279.428 0.924 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000440624587 390041349 /nfs/dbraw/zinc/04/13/49/390041349.db2.gz MCBJCTKRHCMRSX-SNVBAGLBSA-N 2 2 278.278 0.585 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000440624587 390041352 /nfs/dbraw/zinc/04/13/52/390041352.db2.gz MCBJCTKRHCMRSX-SNVBAGLBSA-N 2 2 278.278 0.585 20 0 CCADLP CC[C@@H]1C(=O)NCC[N@H+]1C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420296394 389979386 /nfs/dbraw/zinc/97/93/86/389979386.db2.gz DMARLSYBVVGQLD-UKRRQHHQSA-N 2 2 291.395 0.948 20 0 CCADLP CC[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420296394 389979388 /nfs/dbraw/zinc/97/93/88/389979388.db2.gz DMARLSYBVVGQLD-UKRRQHHQSA-N 2 2 291.395 0.948 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420317427 389982875 /nfs/dbraw/zinc/98/28/75/389982875.db2.gz ONKUWTCKXNHVLI-YVSFHVDLSA-N 3 2 289.423 0.459 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420317427 389982877 /nfs/dbraw/zinc/98/28/77/389982877.db2.gz ONKUWTCKXNHVLI-YVSFHVDLSA-N 3 2 289.423 0.459 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420317426 389982934 /nfs/dbraw/zinc/98/29/34/389982934.db2.gz ONKUWTCKXNHVLI-QZWWFDLISA-N 3 2 289.423 0.459 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420317426 389982935 /nfs/dbraw/zinc/98/29/35/389982935.db2.gz ONKUWTCKXNHVLI-QZWWFDLISA-N 3 2 289.423 0.459 20 0 CCADLP C[C@H]1C[N@H+](CCN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000420318159 389983027 /nfs/dbraw/zinc/98/30/27/389983027.db2.gz NSJHEJNITKSKCT-RDGKXADDSA-N 2 2 267.417 0.922 20 0 CCADLP C[C@H]1C[N@@H+](CCN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000420318159 389983028 /nfs/dbraw/zinc/98/30/28/389983028.db2.gz NSJHEJNITKSKCT-RDGKXADDSA-N 2 2 267.417 0.922 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000420340770 389986253 /nfs/dbraw/zinc/98/62/53/389986253.db2.gz UJHKBCLHIPZDDQ-CHWSQXEVSA-N 2 2 259.369 0.341 20 0 CCADLP COc1ccccc1N1CC[C@@H]([N@H+](C)C[C@H](O)C[NH3+])C1=O ZINC000420349207 389987624 /nfs/dbraw/zinc/98/76/24/389987624.db2.gz CBXALPYSQPJBCG-DGCLKSJQSA-N 2 2 293.367 0.052 20 0 CCADLP COc1ccccc1N1CC[C@@H]([N@@H+](C)C[C@H](O)C[NH3+])C1=O ZINC000420349207 389987627 /nfs/dbraw/zinc/98/76/27/389987627.db2.gz CBXALPYSQPJBCG-DGCLKSJQSA-N 2 2 293.367 0.052 20 0 CCADLP Cc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H](O)C[NH3+])cc1C ZINC000420351490 389989056 /nfs/dbraw/zinc/98/90/56/389989056.db2.gz KGUXKMLOYYRMHI-JSGCOSHPSA-N 2 2 279.384 0.882 20 0 CCADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])cc1C ZINC000420351490 389989059 /nfs/dbraw/zinc/98/90/59/389989059.db2.gz KGUXKMLOYYRMHI-JSGCOSHPSA-N 2 2 279.384 0.882 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420353141 389989468 /nfs/dbraw/zinc/98/94/68/389989468.db2.gz AGOONJBEIYYAEA-XWLWVQCSSA-N 2 2 270.377 0.197 20 0 CCADLP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000420355045 389990025 /nfs/dbraw/zinc/99/00/25/389990025.db2.gz PKWXIFLHZXOKEI-BXUZGUMPSA-N 2 2 297.374 0.597 20 0 CCADLP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420355045 389990027 /nfs/dbraw/zinc/99/00/27/389990027.db2.gz PKWXIFLHZXOKEI-BXUZGUMPSA-N 2 2 297.374 0.597 20 0 CCADLP CCCNC(=O)NC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420355102 389990147 /nfs/dbraw/zinc/99/01/47/389990147.db2.gz BQSWLIWUMSMPMK-JFGNBEQYSA-N 2 2 270.377 0.198 20 0 CCADLP COC(=O)c1ccc(F)c(C[N@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000420356714 389990636 /nfs/dbraw/zinc/99/06/36/389990636.db2.gz RILYBXZKZBXHNS-NSHDSACASA-N 2 2 270.304 0.364 20 0 CCADLP COC(=O)c1ccc(F)c(C[N@@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000420356714 389990638 /nfs/dbraw/zinc/99/06/38/389990638.db2.gz RILYBXZKZBXHNS-NSHDSACASA-N 2 2 270.304 0.364 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420363569 389992846 /nfs/dbraw/zinc/99/28/46/389992846.db2.gz OABWKRQUGBTLAB-RKDXNWHRSA-N 2 2 258.366 0.184 20 0 CCADLP C[N@H+](C[C@H](O)C[NH3+])[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000420362935 389992945 /nfs/dbraw/zinc/99/29/45/389992945.db2.gz ZVPVBMIWHDCOMM-BXUZGUMPSA-N 2 2 295.358 0.573 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH3+])[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000420362935 389992947 /nfs/dbraw/zinc/99/29/47/389992947.db2.gz ZVPVBMIWHDCOMM-BXUZGUMPSA-N 2 2 295.358 0.573 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420368304 389993246 /nfs/dbraw/zinc/99/32/46/389993246.db2.gz NNHWWXFCJCQGKP-FVCCEPFGSA-N 2 2 298.431 0.833 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC[C@@H]1CCC[NH+]1CCCO ZINC000449387616 389993577 /nfs/dbraw/zinc/99/35/77/389993577.db2.gz MEJSIRMOUBXSGS-VNQPRFMTSA-N 2 2 281.444 0.906 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC[C@@H]1CCC[NH+]1CCCO ZINC000449387616 389993579 /nfs/dbraw/zinc/99/35/79/389993579.db2.gz MEJSIRMOUBXSGS-VNQPRFMTSA-N 2 2 281.444 0.906 20 0 CCADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC[C@@H]1CCC[N@@H+]1CCCO ZINC000449387616 389993581 /nfs/dbraw/zinc/99/35/81/389993581.db2.gz MEJSIRMOUBXSGS-VNQPRFMTSA-N 2 2 281.444 0.906 20 0 CCADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC[C@@H]1CCC[N@H+]1CCCO ZINC000449387616 389993584 /nfs/dbraw/zinc/99/35/84/389993584.db2.gz MEJSIRMOUBXSGS-VNQPRFMTSA-N 2 2 281.444 0.906 20 0 CCADLP CC1(C)NC(=O)CC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449397145 389993642 /nfs/dbraw/zinc/99/36/42/389993642.db2.gz OLUFSYSEGRPKOR-CHWSQXEVSA-N 2 2 283.416 0.480 20 0 CCADLP CC1(C)NC(=O)CC[C@H]1[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449397145 389993644 /nfs/dbraw/zinc/99/36/44/389993644.db2.gz OLUFSYSEGRPKOR-CHWSQXEVSA-N 2 2 283.416 0.480 20 0 CCADLP C[C@@H](CC(=O)N(C)C)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449395003 389993682 /nfs/dbraw/zinc/99/36/82/389993682.db2.gz PAFMJTCZISXGKX-STQMWFEESA-N 2 2 271.405 0.290 20 0 CCADLP C[C@@H](CC(=O)N(C)C)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449395003 389993683 /nfs/dbraw/zinc/99/36/83/389993683.db2.gz PAFMJTCZISXGKX-STQMWFEESA-N 2 2 271.405 0.290 20 0 CCADLP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000420382013 389994703 /nfs/dbraw/zinc/99/47/03/389994703.db2.gz DEOCZZSQCJNSSS-HOCLYGCPSA-N 3 2 293.411 0.787 20 0 CCADLP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000420382013 389994704 /nfs/dbraw/zinc/99/47/04/389994704.db2.gz DEOCZZSQCJNSSS-HOCLYGCPSA-N 3 2 293.411 0.787 20 0 CCADLP C[NH2+]CCC[N@H+](C)CC(=O)NC(=O)Nc1ccccc1 ZINC000420382296 389995111 /nfs/dbraw/zinc/99/51/11/389995111.db2.gz ADQRPGDRWYALLE-UHFFFAOYSA-N 2 2 278.356 0.876 20 0 CCADLP C[NH2+]CCC[N@@H+](C)CC(=O)NC(=O)Nc1ccccc1 ZINC000420382296 389995113 /nfs/dbraw/zinc/99/51/13/389995113.db2.gz ADQRPGDRWYALLE-UHFFFAOYSA-N 2 2 278.356 0.876 20 0 CCADLP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420387094 389995759 /nfs/dbraw/zinc/99/57/59/389995759.db2.gz JLWKDEONAAJYLC-KBPBESRZSA-N 2 2 285.432 0.929 20 0 CCADLP CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420387094 389995761 /nfs/dbraw/zinc/99/57/61/389995761.db2.gz JLWKDEONAAJYLC-KBPBESRZSA-N 2 2 285.432 0.929 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)CCCO1 ZINC000420390485 389996127 /nfs/dbraw/zinc/99/61/27/389996127.db2.gz NPUITFYXTLVSPK-CQSZACIVSA-N 3 2 255.406 0.912 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)CCCO1 ZINC000420390485 389996128 /nfs/dbraw/zinc/99/61/28/389996128.db2.gz NPUITFYXTLVSPK-CQSZACIVSA-N 3 2 255.406 0.912 20 0 CCADLP C[C@H](C(=O)N(C)CC1([NH+](C)C)CCC1)[NH+]1CCOCC1 ZINC000438594738 390008973 /nfs/dbraw/zinc/00/89/73/390008973.db2.gz GSLURABBPDKHDU-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP Cc1cc(NC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)cc[nH+]1 ZINC000455046514 390012028 /nfs/dbraw/zinc/01/20/28/390012028.db2.gz SNHBXJRNJARKBZ-BETUJISGSA-N 2 2 292.383 0.731 20 0 CCADLP Cc1cc(NC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)cc[nH+]1 ZINC000455046514 390012030 /nfs/dbraw/zinc/01/20/30/390012030.db2.gz SNHBXJRNJARKBZ-BETUJISGSA-N 2 2 292.383 0.731 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](CCO)C[C@H]1C)[NH+]1CCCCCC1 ZINC000457079620 390027092 /nfs/dbraw/zinc/02/70/92/390027092.db2.gz AHCDIQUWBLQGJX-HUUCEWRRSA-N 2 2 297.443 0.776 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](CCO)C[C@H]1C)[NH+]1CCCCCC1 ZINC000457079620 390027093 /nfs/dbraw/zinc/02/70/93/390027093.db2.gz AHCDIQUWBLQGJX-HUUCEWRRSA-N 2 2 297.443 0.776 20 0 CCADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000457099795 390028620 /nfs/dbraw/zinc/02/86/20/390028620.db2.gz NJPGTJCHHCJNFQ-STQMWFEESA-N 2 2 292.383 0.286 20 0 CCADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000457099795 390028622 /nfs/dbraw/zinc/02/86/22/390028622.db2.gz NJPGTJCHHCJNFQ-STQMWFEESA-N 2 2 292.383 0.286 20 0 CCADLP CC[C@H](C(=O)N1CC[N@H+](CCO)C[C@H]1C)[NH+](CC)CC ZINC000457111306 390030941 /nfs/dbraw/zinc/03/09/41/390030941.db2.gz FDVMEVRYNFDLOU-ZIAGYGMSSA-N 2 2 285.432 0.632 20 0 CCADLP CC[C@H](C(=O)N1CC[N@@H+](CCO)C[C@H]1C)[NH+](CC)CC ZINC000457111306 390030942 /nfs/dbraw/zinc/03/09/42/390030942.db2.gz FDVMEVRYNFDLOU-ZIAGYGMSSA-N 2 2 285.432 0.632 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)NCCCC[NH+](C)C1CC1 ZINC000457173969 390033310 /nfs/dbraw/zinc/03/33/10/390033310.db2.gz WDHBMHNNPSELAV-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)NCCCC[NH+](C)C1CC1 ZINC000457173969 390033312 /nfs/dbraw/zinc/03/33/12/390033312.db2.gz WDHBMHNNPSELAV-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)NCCCC[N@H+](C)C1CC1 ZINC000457173969 390033313 /nfs/dbraw/zinc/03/33/13/390033313.db2.gz WDHBMHNNPSELAV-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000457173969 390033315 /nfs/dbraw/zinc/03/33/15/390033315.db2.gz WDHBMHNNPSELAV-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493111948 390118953 /nfs/dbraw/zinc/11/89/53/390118953.db2.gz DGQKIPITCMWQMV-ITKZLYELSA-N 2 2 292.383 0.727 20 0 CCADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493111948 390118954 /nfs/dbraw/zinc/11/89/54/390118954.db2.gz DGQKIPITCMWQMV-ITKZLYELSA-N 2 2 292.383 0.727 20 0 CCADLP CCCC[N@H+](C)CCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000488376946 390093171 /nfs/dbraw/zinc/09/31/71/390093171.db2.gz FRKSNCMQVKWLQH-UHFFFAOYSA-N 2 2 266.393 0.812 20 0 CCADLP CCCC[N@@H+](C)CCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000488376946 390093172 /nfs/dbraw/zinc/09/31/72/390093172.db2.gz FRKSNCMQVKWLQH-UHFFFAOYSA-N 2 2 266.393 0.812 20 0 CCADLP C[C@H](CNC(=O)/C=C\c1[nH]cc[nH+]1)C[NH+]1CCOCC1 ZINC000493143422 390119463 /nfs/dbraw/zinc/11/94/63/390119463.db2.gz BJCCEQQOPNWTSV-ZZKXABKFSA-N 2 2 278.356 0.507 20 0 CCADLP C[NH+](C)CCn1nccc1NC(=O)C=Cc1c[nH]c[nH+]1 ZINC000493498448 390127050 /nfs/dbraw/zinc/12/70/50/390127050.db2.gz ZAMIPCSHSLXRNO-ARJAWSKDSA-N 2 2 274.328 0.820 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)/C=C/c2[nH]cc[nH+]2)n1C ZINC000493496609 390127122 /nfs/dbraw/zinc/12/71/22/390127122.db2.gz XFSNVDGBDMJYSV-SNAWJCMRSA-N 2 2 274.328 0.539 20 0 CCADLP COc1cccc(/C=C\C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000493643698 390127450 /nfs/dbraw/zinc/12/74/50/390127450.db2.gz CGCKOPVZBMBEIM-AFNCTOJWSA-N 2 2 289.379 0.810 20 0 CCADLP COc1cccc(/C=C\C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000493643698 390127451 /nfs/dbraw/zinc/12/74/51/390127451.db2.gz CGCKOPVZBMBEIM-AFNCTOJWSA-N 2 2 289.379 0.810 20 0 CCADLP CC(C)COCCCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000578969246 390129476 /nfs/dbraw/zinc/12/94/76/390129476.db2.gz URYONTGBYYKTHP-CYBMUJFWSA-N 2 2 286.420 0.333 20 0 CCADLP CC(C)COCCCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000578969246 390129478 /nfs/dbraw/zinc/12/94/78/390129478.db2.gz URYONTGBYYKTHP-CYBMUJFWSA-N 2 2 286.420 0.333 20 0 CCADLP CCCNC(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534581771 390129733 /nfs/dbraw/zinc/12/97/33/390129733.db2.gz XXDNYHQQDLPAOE-NSHDSACASA-N 2 2 250.346 0.736 20 0 CCADLP CCCNC(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534581771 390129736 /nfs/dbraw/zinc/12/97/36/390129736.db2.gz XXDNYHQQDLPAOE-NSHDSACASA-N 2 2 250.346 0.736 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534579609 390129971 /nfs/dbraw/zinc/12/99/71/390129971.db2.gz XTPANUBTEMPRCI-NXEZZACHSA-N 2 2 279.344 0.054 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534579609 390129975 /nfs/dbraw/zinc/12/99/75/390129975.db2.gz XTPANUBTEMPRCI-NXEZZACHSA-N 2 2 279.344 0.054 20 0 CCADLP Cn1c[nH+]c(CC[NH2+]CCC(=O)Nc2cccnc2)c1 ZINC000578981295 390131443 /nfs/dbraw/zinc/13/14/43/390131443.db2.gz KSUJTFVPHKFFQO-UHFFFAOYSA-N 2 2 273.340 0.976 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000579116469 390142603 /nfs/dbraw/zinc/14/26/03/390142603.db2.gz WPLVPRHZVGLJKK-QMMMGPOBSA-N 2 2 270.358 0.043 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000579116469 390142605 /nfs/dbraw/zinc/14/26/05/390142605.db2.gz WPLVPRHZVGLJKK-QMMMGPOBSA-N 2 2 270.358 0.043 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000535316844 390143098 /nfs/dbraw/zinc/14/30/98/390143098.db2.gz ZIFNTHOTASXFFY-JTQLQIEISA-N 2 2 291.355 0.198 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000535316844 390143101 /nfs/dbraw/zinc/14/31/01/390143101.db2.gz ZIFNTHOTASXFFY-JTQLQIEISA-N 2 2 291.355 0.198 20 0 CCADLP Cc1nc(N2CC[C@@H]([NH+](C)C)[C@H]2C)nc(N(C)C)[nH+]1 ZINC000647843852 390190037 /nfs/dbraw/zinc/19/00/37/390190037.db2.gz IIBQWGFLXVVOSF-MWLCHTKSSA-N 2 2 264.377 0.775 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCCCS(C)(=O)=O)C1 ZINC000647845786 390190636 /nfs/dbraw/zinc/19/06/36/390190636.db2.gz NMPNQCWCHRLVTK-NWDGAFQWSA-N 2 2 262.419 0.870 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCCCS(C)(=O)=O)C1 ZINC000647845786 390190639 /nfs/dbraw/zinc/19/06/39/390190639.db2.gz NMPNQCWCHRLVTK-NWDGAFQWSA-N 2 2 262.419 0.870 20 0 CCADLP OCCC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647798307 390174606 /nfs/dbraw/zinc/17/46/06/390174606.db2.gz PFBUNMQQJQBVIT-JONQDZQNSA-N 3 2 281.444 0.811 20 0 CCADLP OCCC[N@H+]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647798307 390174608 /nfs/dbraw/zinc/17/46/08/390174608.db2.gz PFBUNMQQJQBVIT-JONQDZQNSA-N 3 2 281.444 0.811 20 0 CCADLP Cc1cc(C[C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)[nH]n1 ZINC000579464937 390174797 /nfs/dbraw/zinc/17/47/97/390174797.db2.gz AYIRIKQWPXHUQL-IINYFYTJSA-N 2 2 266.389 0.694 20 0 CCADLP Cc1cc(C[C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)[nH]n1 ZINC000579464937 390174801 /nfs/dbraw/zinc/17/48/01/390174801.db2.gz AYIRIKQWPXHUQL-IINYFYTJSA-N 2 2 266.389 0.694 20 0 CCADLP Cc1cc(C[C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)n[nH]1 ZINC000579464937 390174805 /nfs/dbraw/zinc/17/48/05/390174805.db2.gz AYIRIKQWPXHUQL-IINYFYTJSA-N 2 2 266.389 0.694 20 0 CCADLP Cc1cc(C[C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)n[nH]1 ZINC000579464937 390174810 /nfs/dbraw/zinc/17/48/10/390174810.db2.gz AYIRIKQWPXHUQL-IINYFYTJSA-N 2 2 266.389 0.694 20 0 CCADLP COc1nccc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)n1 ZINC000579608473 390190742 /nfs/dbraw/zinc/19/07/42/390190742.db2.gz ULMCQRKFKCEQHT-UHFFFAOYSA-N 2 2 274.328 0.531 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)n1 ZINC000579483770 390178955 /nfs/dbraw/zinc/17/89/55/390178955.db2.gz WCAVBXTWPWENIA-VHSXEESVSA-N 2 2 298.412 0.970 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)n1 ZINC000579483770 390178956 /nfs/dbraw/zinc/17/89/56/390178956.db2.gz WCAVBXTWPWENIA-VHSXEESVSA-N 2 2 298.412 0.970 20 0 CCADLP Cc1cc(CO)cc(N(C)C[C@H](O)C[NH+]2CCOCC2)[nH+]1 ZINC000647872065 390201777 /nfs/dbraw/zinc/20/17/77/390201777.db2.gz WYIHKJIVXDONPA-AWEZNQCLSA-N 2 2 295.383 0.012 20 0 CCADLP c1cc([C@H]2CCC[N@@H+](CCN3CC[NH2+]CC3)C2)[nH]n1 ZINC000647881011 390205359 /nfs/dbraw/zinc/20/53/59/390205359.db2.gz SUFFEADRXGFRPI-ZDUSSCGKSA-N 2 2 263.389 0.494 20 0 CCADLP c1cc([C@H]2CCC[N@H+](CCN3CC[NH2+]CC3)C2)[nH]n1 ZINC000647881011 390205363 /nfs/dbraw/zinc/20/53/63/390205363.db2.gz SUFFEADRXGFRPI-ZDUSSCGKSA-N 2 2 263.389 0.494 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000579826965 390211281 /nfs/dbraw/zinc/21/12/81/390211281.db2.gz AJFLCRWZCIKHMI-NDBYEHHHSA-N 2 2 260.378 0.081 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000579826965 390211285 /nfs/dbraw/zinc/21/12/85/390211285.db2.gz AJFLCRWZCIKHMI-NDBYEHHHSA-N 2 2 260.378 0.081 20 0 CCADLP C[C@@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647926419 390219288 /nfs/dbraw/zinc/21/92/88/390219288.db2.gz CTGXVGXOQXOBET-NWDGAFQWSA-N 2 2 269.389 0.483 20 0 CCADLP CC[C@H]1C(=O)N(CC)CC[N@H+]1CCn1cc[nH+]c1 ZINC000495192158 390223461 /nfs/dbraw/zinc/22/34/61/390223461.db2.gz HZMMROCJBPYCBW-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP CC[C@H]1C(=O)N(CC)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000495192158 390223463 /nfs/dbraw/zinc/22/34/63/390223463.db2.gz HZMMROCJBPYCBW-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+](C)CCC[NH3+] ZINC000647848409 390192092 /nfs/dbraw/zinc/19/20/92/390192092.db2.gz QJCSKAHLAZHTBA-KGLIPLIRSA-N 2 2 285.432 0.979 20 0 CCADLP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+](C)CCC[NH3+] ZINC000647848409 390192096 /nfs/dbraw/zinc/19/20/96/390192096.db2.gz QJCSKAHLAZHTBA-KGLIPLIRSA-N 2 2 285.432 0.979 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000647865313 390197616 /nfs/dbraw/zinc/19/76/16/390197616.db2.gz FUXFTHXJZGYNAC-YPMHNXCESA-N 3 2 252.362 0.630 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000647865313 390197619 /nfs/dbraw/zinc/19/76/19/390197619.db2.gz FUXFTHXJZGYNAC-YPMHNXCESA-N 3 2 252.362 0.630 20 0 CCADLP CC[C@@H](C)NC(=O)CN1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647988493 390240166 /nfs/dbraw/zinc/24/01/66/390240166.db2.gz RJOSSQZKFJTYBT-ZIAGYGMSSA-N 2 2 282.432 0.128 20 0 CCADLP CC[C@@H](C)NC(=O)C[NH+]1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000647988493 390240168 /nfs/dbraw/zinc/24/01/68/390240168.db2.gz RJOSSQZKFJTYBT-ZIAGYGMSSA-N 2 2 282.432 0.128 20 0 CCADLP C[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)S(C)(=O)=O ZINC000644514837 390241962 /nfs/dbraw/zinc/24/19/62/390241962.db2.gz PGXNWNYDHYAVMI-SNVBAGLBSA-N 2 2 260.403 0.636 20 0 CCADLP CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](C[C@H](C)[NH3+])C1 ZINC000647997628 390245251 /nfs/dbraw/zinc/24/52/51/390245251.db2.gz SZHNDYZSYCXIMM-CBAPKCEASA-N 2 2 253.268 0.334 20 0 CCADLP CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](C[C@H](C)[NH3+])C1 ZINC000647997628 390245253 /nfs/dbraw/zinc/24/52/53/390245253.db2.gz SZHNDYZSYCXIMM-CBAPKCEASA-N 2 2 253.268 0.334 20 0 CCADLP C[N@@H+]1C[C@@H]2CCN(CCC[NH+]3CCOCC3)[C@@H]2C1 ZINC000644730005 390296424 /nfs/dbraw/zinc/29/64/24/390296424.db2.gz OOPYBCNXQVWAOD-UONOGXRCSA-N 2 2 253.390 0.345 20 0 CCADLP C[N@H+]1C[C@@H]2CCN(CCC[NH+]3CCOCC3)[C@@H]2C1 ZINC000644730005 390296428 /nfs/dbraw/zinc/29/64/28/390296428.db2.gz OOPYBCNXQVWAOD-UONOGXRCSA-N 2 2 253.390 0.345 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCc2cscn2)C[C@@H](C)O1 ZINC000580769304 390247979 /nfs/dbraw/zinc/24/79/79/390247979.db2.gz KUEJEZUDNOUHDE-YRGRVCCFSA-N 2 2 299.440 0.745 20 0 CCADLP CC(C)[C@H](CO)C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581370514 390251811 /nfs/dbraw/zinc/25/18/11/390251811.db2.gz YHJQIDAPWDJKDW-LJISPDSOSA-N 2 2 288.432 0.311 20 0 CCADLP CC(C)[C@H](CO)C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581370514 390251814 /nfs/dbraw/zinc/25/18/14/390251814.db2.gz YHJQIDAPWDJKDW-LJISPDSOSA-N 2 2 288.432 0.311 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3cccc(F)c3F)CCN2C1=O ZINC000582073770 390259436 /nfs/dbraw/zinc/25/94/36/390259436.db2.gz PDJURTPLAWNNBS-PWSUYJOCSA-N 2 2 281.306 0.709 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3cccc(F)c3F)CCN2C1=O ZINC000582073770 390259438 /nfs/dbraw/zinc/25/94/38/390259438.db2.gz PDJURTPLAWNNBS-PWSUYJOCSA-N 2 2 281.306 0.709 20 0 CCADLP C[N@@H+]1CCN(CCNC(=O)CCn2cc[nH+]c2)CC1(C)C ZINC000281861640 195413324 /nfs/dbraw/zinc/41/33/24/195413324.db2.gz VNDJNURSGFUMQG-UHFFFAOYSA-N 2 2 293.415 0.415 20 0 CCADLP C[N@H+]1CCN(CCNC(=O)CCn2cc[nH+]c2)CC1(C)C ZINC000281861640 195413325 /nfs/dbraw/zinc/41/33/25/195413325.db2.gz VNDJNURSGFUMQG-UHFFFAOYSA-N 2 2 293.415 0.415 20 0 CCADLP O[C@H](C[NH2+]C[C@H](O)C1CC1)C[N@@H+]1CCc2ccccc2C1 ZINC000582181010 390267423 /nfs/dbraw/zinc/26/74/23/390267423.db2.gz AULLTKIXIZHUOX-SJORKVTESA-N 2 2 290.407 0.766 20 0 CCADLP O[C@H](C[NH2+]C[C@H](O)C1CC1)C[N@H+]1CCc2ccccc2C1 ZINC000582181010 390267424 /nfs/dbraw/zinc/26/74/24/390267424.db2.gz AULLTKIXIZHUOX-SJORKVTESA-N 2 2 290.407 0.766 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCc2ccn(C)n2)C[C@@H](C)O1 ZINC000644622275 390268103 /nfs/dbraw/zinc/26/81/03/390268103.db2.gz IACKIYYDQPISDX-UMVBOHGHSA-N 2 2 296.415 0.022 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000542729175 390268498 /nfs/dbraw/zinc/26/84/98/390268498.db2.gz NMULQAXSSBTZLD-UHFFFAOYSA-N 2 2 273.340 0.812 20 0 CCADLP COc1ncncc1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648072132 390270599 /nfs/dbraw/zinc/27/05/99/390270599.db2.gz NJKRSKLQIKVBLN-UHFFFAOYSA-N 2 2 292.383 0.782 20 0 CCADLP COc1ncncc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648072132 390270603 /nfs/dbraw/zinc/27/06/03/390270603.db2.gz NJKRSKLQIKVBLN-UHFFFAOYSA-N 2 2 292.383 0.782 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc(CC(N)=O)cc1)C1CC1 ZINC000644649129 390276235 /nfs/dbraw/zinc/27/62/35/390276235.db2.gz DMTNOPTVIXPJBY-HNNXBMFYSA-N 2 2 291.395 0.259 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc(CC(N)=O)cc1)C1CC1 ZINC000644649129 390276239 /nfs/dbraw/zinc/27/62/39/390276239.db2.gz DMTNOPTVIXPJBY-HNNXBMFYSA-N 2 2 291.395 0.259 20 0 CCADLP C[C@H](C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)CS(C)(=O)=O ZINC000583760622 390309432 /nfs/dbraw/zinc/30/94/32/390309432.db2.gz FSAQOEDLAKVPHC-LLVKDONJSA-N 2 2 286.401 0.212 20 0 CCADLP CSc1cccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])n1 ZINC000583800600 390312377 /nfs/dbraw/zinc/31/23/77/390312377.db2.gz PYLNTLLUWIMDHA-JTQLQIEISA-N 2 2 295.412 0.910 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnns1 ZINC000171318854 335062911 /nfs/dbraw/zinc/06/29/11/335062911.db2.gz KMJXJAIEVQSGTD-UHFFFAOYSA-N 2 2 297.428 0.636 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnns1 ZINC000171318854 335062912 /nfs/dbraw/zinc/06/29/12/335062912.db2.gz KMJXJAIEVQSGTD-UHFFFAOYSA-N 2 2 297.428 0.636 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H]2CCCNC2=O)n1C ZINC000644904173 390343347 /nfs/dbraw/zinc/34/33/47/390343347.db2.gz KNPCOXLTCYZDJD-JTQLQIEISA-N 2 2 265.361 0.102 20 0 CCADLP C[C@@H](O)CNc1cc(N2CC[N@H+](C)C[C@H]2C)nc[nH+]1 ZINC000584516494 390351182 /nfs/dbraw/zinc/35/11/82/390351182.db2.gz RJWAUZKKWGQVCZ-GHMZBOCLSA-N 2 2 265.361 0.410 20 0 CCADLP C[C@@H](O)CNc1cc(N2CC[N@@H+](C)C[C@H]2C)nc[nH+]1 ZINC000584516494 390351185 /nfs/dbraw/zinc/35/11/85/390351185.db2.gz RJWAUZKKWGQVCZ-GHMZBOCLSA-N 2 2 265.361 0.410 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3CC(C)(O)C3)C2)CC1 ZINC000648316286 390355959 /nfs/dbraw/zinc/35/59/59/390355959.db2.gz YIELSCXRGBZSBN-UYJPIKCFSA-N 2 2 295.427 0.432 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3CC(C)(O)C3)C2)CC1 ZINC000648316286 390355961 /nfs/dbraw/zinc/35/59/61/390355961.db2.gz YIELSCXRGBZSBN-UYJPIKCFSA-N 2 2 295.427 0.432 20 0 CCADLP C[C@@H]1CN(c2cc[nH+]c(N(C)C)n2)CC[N@@H+]1CC(C)(C)O ZINC000548037397 390416028 /nfs/dbraw/zinc/41/60/28/390416028.db2.gz KTJSLCLQUVCDSP-GFCCVEGCSA-N 2 2 293.415 0.824 20 0 CCADLP C[C@@H]1CN(c2cc[nH+]c(N(C)C)n2)CC[N@H+]1CC(C)(C)O ZINC000548037397 390416033 /nfs/dbraw/zinc/41/60/33/390416033.db2.gz KTJSLCLQUVCDSP-GFCCVEGCSA-N 2 2 293.415 0.824 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@@H]2[NH2+]CC2(C)C)c[nH+]1 ZINC000645433228 390427020 /nfs/dbraw/zinc/42/70/20/390427020.db2.gz DXZRXTNEHZHVLR-LBPRGKRZSA-N 2 2 262.357 0.762 20 0 CCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)Cc1c[nH+]cn1C ZINC000554571718 390433908 /nfs/dbraw/zinc/43/39/08/390433908.db2.gz SMDZRXLYMVCJML-LLVKDONJSA-N 2 2 250.346 0.515 20 0 CCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)Cc1c[nH+]cn1C ZINC000554571718 390433911 /nfs/dbraw/zinc/43/39/11/390433911.db2.gz SMDZRXLYMVCJML-LLVKDONJSA-N 2 2 250.346 0.515 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000547631104 390387104 /nfs/dbraw/zinc/38/71/04/390387104.db2.gz XEEJULXURUACNJ-VXGBXAGGSA-N 2 2 289.383 0.734 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000547631104 390387108 /nfs/dbraw/zinc/38/71/08/390387108.db2.gz XEEJULXURUACNJ-VXGBXAGGSA-N 2 2 289.383 0.734 20 0 CCADLP CC1(C)C[NH2+][C@@H]1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000645248339 390395771 /nfs/dbraw/zinc/39/57/71/390395771.db2.gz JUURXGXUKCBSLO-GFCCVEGCSA-N 2 2 258.325 0.949 20 0 CCADLP COCc1cc(NCC[NH+]2CCC([NH+](C)C)CC2)ncn1 ZINC000519559115 390510248 /nfs/dbraw/zinc/51/02/48/390510248.db2.gz FEWDOLHDJRCYGO-UHFFFAOYSA-N 2 2 293.415 0.483 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2Cc3cccnc3C2)CC1 ZINC000565418281 390511554 /nfs/dbraw/zinc/51/15/54/390511554.db2.gz OOAVGPMDAGUVJJ-UHFFFAOYSA-N 2 2 274.368 0.561 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@H+]2Cc3cccnc3C2)CC1 ZINC000565418281 390511559 /nfs/dbraw/zinc/51/15/59/390511559.db2.gz OOAVGPMDAGUVJJ-UHFFFAOYSA-N 2 2 274.368 0.561 20 0 CCADLP Cc1cc(CNC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cc(C)[nH+]1 ZINC000643439282 390447146 /nfs/dbraw/zinc/44/71/46/390447146.db2.gz JEXQMKSPNHCGEC-OCCSQVGLSA-N 2 2 292.383 0.956 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000643452405 390448043 /nfs/dbraw/zinc/44/80/43/390448043.db2.gz RLRJJXBJJAKBOC-YCPHGPKFSA-N 3 2 280.460 0.743 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000643452405 390448044 /nfs/dbraw/zinc/44/80/44/390448044.db2.gz RLRJJXBJJAKBOC-YCPHGPKFSA-N 3 2 280.460 0.743 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000643452405 390448046 /nfs/dbraw/zinc/44/80/46/390448046.db2.gz RLRJJXBJJAKBOC-YCPHGPKFSA-N 3 2 280.460 0.743 20 0 CCADLP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnnn1C1CC1 ZINC000643465758 390449930 /nfs/dbraw/zinc/44/99/30/390449930.db2.gz SDIXFEWIIXXGMB-ONGXEEELSA-N 2 2 250.350 0.615 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000643472166 390451618 /nfs/dbraw/zinc/45/16/18/390451618.db2.gz CQOWYMAWGDFPMC-CHWSQXEVSA-N 3 2 268.405 0.010 20 0 CCADLP C[NH+]1CCN(C(=O)CN[C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000643472166 390451621 /nfs/dbraw/zinc/45/16/21/390451621.db2.gz CQOWYMAWGDFPMC-CHWSQXEVSA-N 2 2 268.405 0.010 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000643472123 390451879 /nfs/dbraw/zinc/45/18/79/390451879.db2.gz UBINSECDDDBLMN-XBFCOCLRSA-N 2 2 278.400 0.840 20 0 CCADLP COC[C@@H](CCC[NH3+])Nc1ccc(N(C)CCO)c[nH+]1 ZINC000643478657 390453411 /nfs/dbraw/zinc/45/34/11/390453411.db2.gz RUSQAMMTGCPRPC-GFCCVEGCSA-N 2 2 282.388 0.676 20 0 CCADLP CNC(=O)c1ccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000516467485 390481074 /nfs/dbraw/zinc/48/10/74/390481074.db2.gz COMOPUOHODUTIH-CQSZACIVSA-N 2 2 276.384 0.121 20 0 CCADLP CNC(=O)c1ccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000516467485 390481077 /nfs/dbraw/zinc/48/10/77/390481077.db2.gz COMOPUOHODUTIH-CQSZACIVSA-N 2 2 276.384 0.121 20 0 CCADLP Cc1[nH+]c2n(c1C)CCN(C(=O)C[C@H]1COCC[NH2+]1)C2 ZINC000646043999 390582974 /nfs/dbraw/zinc/58/29/74/390582974.db2.gz ZRMYFZLTPPLDOR-LBPRGKRZSA-N 2 2 278.356 0.221 20 0 CCADLP Cc1[nH+]c2n(c1C)CCN(C(=O)C[C@@H]1COCC[NH2+]1)C2 ZINC000646043998 390583346 /nfs/dbraw/zinc/58/33/46/390583346.db2.gz ZRMYFZLTPPLDOR-GFCCVEGCSA-N 2 2 278.356 0.221 20 0 CCADLP O=C(NCc1c[nH+]c[nH]1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000646046136 390584506 /nfs/dbraw/zinc/58/45/06/390584506.db2.gz VXJZRVMGCZPUFH-MRVPVSSYSA-N 2 2 260.301 0.140 20 0 CCADLP O=C(NCc1c[nH]c[nH+]1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000646046136 390584510 /nfs/dbraw/zinc/58/45/10/390584510.db2.gz VXJZRVMGCZPUFH-MRVPVSSYSA-N 2 2 260.301 0.140 20 0 CCADLP O=C(NCc1c[nH+]c[nH]1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000646046137 390584592 /nfs/dbraw/zinc/58/45/92/390584592.db2.gz VXJZRVMGCZPUFH-QMMMGPOBSA-N 2 2 260.301 0.140 20 0 CCADLP O=C(NCc1c[nH]c[nH+]1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000646046137 390584596 /nfs/dbraw/zinc/58/45/96/390584596.db2.gz VXJZRVMGCZPUFH-QMMMGPOBSA-N 2 2 260.301 0.140 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000520737844 390588196 /nfs/dbraw/zinc/58/81/96/390588196.db2.gz UNVONXXFVYAGLR-LBPRGKRZSA-N 2 2 257.378 0.165 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000520737844 390588197 /nfs/dbraw/zinc/58/81/97/390588197.db2.gz UNVONXXFVYAGLR-LBPRGKRZSA-N 2 2 257.378 0.165 20 0 CCADLP CCC[NH+](C)CC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000520737844 390588199 /nfs/dbraw/zinc/58/81/99/390588199.db2.gz UNVONXXFVYAGLR-LBPRGKRZSA-N 2 2 257.378 0.165 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)[C@@H]1C[N@H+](C)CCO1 ZINC000649214240 390525908 /nfs/dbraw/zinc/52/59/08/390525908.db2.gz RCSGEEBIZCBJRA-OBJOEFQTSA-N 2 2 292.383 0.281 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000649214240 390525911 /nfs/dbraw/zinc/52/59/11/390525911.db2.gz RCSGEEBIZCBJRA-OBJOEFQTSA-N 2 2 292.383 0.281 20 0 CCADLP CC1(C)C[NH2+][C@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000645926796 390532473 /nfs/dbraw/zinc/53/24/73/390532473.db2.gz WHJZJIMDJAXBJG-NSHDSACASA-N 2 2 269.389 0.211 20 0 CCADLP CC1(C)C[NH2+][C@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000645926796 390532476 /nfs/dbraw/zinc/53/24/76/390532476.db2.gz WHJZJIMDJAXBJG-NSHDSACASA-N 2 2 269.389 0.211 20 0 CCADLP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000643777716 390542553 /nfs/dbraw/zinc/54/25/53/390542553.db2.gz SJLVMGNZTQYXQD-NWDGAFQWSA-N 2 2 280.397 0.525 20 0 CCADLP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000643777716 390542555 /nfs/dbraw/zinc/54/25/55/390542555.db2.gz SJLVMGNZTQYXQD-NWDGAFQWSA-N 2 2 280.397 0.525 20 0 CCADLP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000649278859 390544978 /nfs/dbraw/zinc/54/49/78/390544978.db2.gz IBCQSBDOSVHKBS-CHWSQXEVSA-N 2 2 281.400 0.308 20 0 CCADLP CS[C@H](C)CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000565823981 390549448 /nfs/dbraw/zinc/54/94/48/390549448.db2.gz XIZODJQEPKKVEJ-NXEZZACHSA-N 2 2 260.407 0.022 20 0 CCADLP CS[C@H](C)CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000565823981 390549451 /nfs/dbraw/zinc/54/94/51/390549451.db2.gz XIZODJQEPKKVEJ-NXEZZACHSA-N 2 2 260.407 0.022 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)c[nH+]1 ZINC000649292871 390552789 /nfs/dbraw/zinc/55/27/89/390552789.db2.gz IJFHSPINWZJGIT-UTUOFQBUSA-N 2 2 260.341 0.514 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3([NH3+])CCC3)C2)CC1 ZINC000645977520 390556053 /nfs/dbraw/zinc/55/60/53/390556053.db2.gz FDJLMAWLHZEIKV-GFCCVEGCSA-N 3 2 280.416 0.153 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3([NH3+])CCC3)C2)CC1 ZINC000645977520 390556057 /nfs/dbraw/zinc/55/60/57/390556057.db2.gz FDJLMAWLHZEIKV-GFCCVEGCSA-N 3 2 280.416 0.153 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3CC[NH2+]CC3)C2)CC1 ZINC000645977462 390556384 /nfs/dbraw/zinc/55/63/84/390556384.db2.gz ACHISQQMMKOBQY-CQSZACIVSA-N 3 2 294.443 0.271 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3CC[NH2+]CC3)C2)CC1 ZINC000645977462 390556388 /nfs/dbraw/zinc/55/63/88/390556388.db2.gz ACHISQQMMKOBQY-CQSZACIVSA-N 3 2 294.443 0.271 20 0 CCADLP C[C@H](CC(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1)n1cc[nH+]c1 ZINC000565957725 390562629 /nfs/dbraw/zinc/56/26/29/390562629.db2.gz ONMDDFCHUVQIDO-UPJWGTAASA-N 2 2 278.356 0.424 20 0 CCADLP CC(C)([NH3+])CCC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000649303466 390562746 /nfs/dbraw/zinc/56/27/46/390562746.db2.gz AKWGPVWRYUTQJP-CYBMUJFWSA-N 2 2 283.416 0.827 20 0 CCADLP CC1(C)C[NH2+][C@H]1C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000649303585 390564152 /nfs/dbraw/zinc/56/41/52/390564152.db2.gz IFCOQUGQFGSZLV-STQMWFEESA-N 2 2 281.400 0.308 20 0 CCADLP CN(C)C(=O)C[C@@]1(O)CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000643812649 390566518 /nfs/dbraw/zinc/56/65/18/390566518.db2.gz QDOXSDBGQUJSFN-AWEZNQCLSA-N 2 2 280.372 0.188 20 0 CCADLP CN(C)C(=O)C[C@@]1(O)CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000643812649 390566520 /nfs/dbraw/zinc/56/65/20/390566520.db2.gz QDOXSDBGQUJSFN-AWEZNQCLSA-N 2 2 280.372 0.188 20 0 CCADLP [NH3+][C@H]1C[C@@H](C(=O)NCCNc2ccc3ccccc3[nH+]2)C1 ZINC000649306761 390567043 /nfs/dbraw/zinc/56/70/43/390567043.db2.gz NJHOLTXJDJMSJS-BETUJISGSA-N 2 2 284.363 0.922 20 0 CCADLP O=C(NCCCCNc1cccc[nH+]1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649318595 390576294 /nfs/dbraw/zinc/57/62/94/390576294.db2.gz XWCXFQFBCJVNRB-IMRBUKKESA-N 2 2 274.368 0.855 20 0 CCADLP Cc1ncncc1[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000566476445 390618900 /nfs/dbraw/zinc/61/89/00/390618900.db2.gz ZJHXJXPVHYTGND-DGCLKSJQSA-N 2 2 264.373 0.892 20 0 CCADLP C[C@@H]([NH3+])CCNc1cc(NCC[C@H](C)[NH3+])nc[nH+]1 ZINC000522013426 390621747 /nfs/dbraw/zinc/62/17/47/390621747.db2.gz HVCJZMQWIBZKKB-AOOOYVTPSA-N 3 2 252.366 0.197 20 0 CCADLP C[C@@H]([NH3+])CCNc1cc(NCC[C@H](C)[NH3+])[nH+]cn1 ZINC000522013426 390621753 /nfs/dbraw/zinc/62/17/53/390621753.db2.gz HVCJZMQWIBZKKB-AOOOYVTPSA-N 3 2 252.366 0.197 20 0 CCADLP Cc1cccc2[nH+]c(CCNC(=O)NC[C@H](C)[NH3+])cn21 ZINC000646205702 390632275 /nfs/dbraw/zinc/63/22/75/390632275.db2.gz PCORNRISCXJAOP-JTQLQIEISA-N 2 2 275.356 0.832 20 0 CCADLP C[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C1CCCC1 ZINC000566668406 390636628 /nfs/dbraw/zinc/63/66/28/390636628.db2.gz AYRIZKXNINHIDJ-DGCLKSJQSA-N 2 2 268.405 0.849 20 0 CCADLP C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C1CCCC1 ZINC000566668406 390636631 /nfs/dbraw/zinc/63/66/31/390636631.db2.gz AYRIZKXNINHIDJ-DGCLKSJQSA-N 2 2 268.405 0.849 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000646216398 390639195 /nfs/dbraw/zinc/63/91/95/390639195.db2.gz ZQGRVZUAKQAWHY-RWMBFGLXSA-N 2 2 286.420 0.474 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCCSC2)[C@@H](C[NH3+])C1 ZINC000566727936 390641723 /nfs/dbraw/zinc/64/17/23/390641723.db2.gz XLMVMBKXCAZQHT-RYUDHWBXSA-N 2 2 286.445 0.414 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCCSC2)[C@@H](C[NH3+])C1 ZINC000566727936 390641726 /nfs/dbraw/zinc/64/17/26/390641726.db2.gz XLMVMBKXCAZQHT-RYUDHWBXSA-N 2 2 286.445 0.414 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000521072410 390596327 /nfs/dbraw/zinc/59/63/27/390596327.db2.gz UWLDXULAJUOIHW-OAHLLOKOSA-N 2 2 288.395 0.678 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000521072410 390596330 /nfs/dbraw/zinc/59/63/30/390596330.db2.gz UWLDXULAJUOIHW-OAHLLOKOSA-N 2 2 288.395 0.678 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)CCc1ccccc1O ZINC000566417622 390600499 /nfs/dbraw/zinc/60/04/99/390600499.db2.gz ZLPZYWCVUSKKOD-OAHLLOKOSA-N 2 2 296.411 0.806 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)CCc1ccccc1O ZINC000566417622 390600502 /nfs/dbraw/zinc/60/05/02/390600502.db2.gz ZLPZYWCVUSKKOD-OAHLLOKOSA-N 2 2 296.411 0.806 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)CCc1ccccc1O ZINC000566417622 390600507 /nfs/dbraw/zinc/60/05/07/390600507.db2.gz ZLPZYWCVUSKKOD-OAHLLOKOSA-N 2 2 296.411 0.806 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)CCc1ccccc1O ZINC000566417622 390600511 /nfs/dbraw/zinc/60/05/11/390600511.db2.gz ZLPZYWCVUSKKOD-OAHLLOKOSA-N 2 2 296.411 0.806 20 0 CCADLP C[C@@H](Cc1ccc(O)cc1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000646131025 390612990 /nfs/dbraw/zinc/61/29/90/390612990.db2.gz AAMMNSFTGLOFFG-ZDUSSCGKSA-N 2 2 291.395 0.687 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000646730040 390713285 /nfs/dbraw/zinc/71/32/85/390713285.db2.gz AEAGSQQZMCMMOZ-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000646730040 390713287 /nfs/dbraw/zinc/71/32/87/390713287.db2.gz AEAGSQQZMCMMOZ-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000527595381 390717435 /nfs/dbraw/zinc/71/74/35/390717435.db2.gz TUDDLTPLDSJINK-STQMWFEESA-N 2 2 276.384 0.902 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000570940499 390725659 /nfs/dbraw/zinc/72/56/59/390725659.db2.gz UDLAGCWNEDFPBW-GFCCVEGCSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000570940499 390725661 /nfs/dbraw/zinc/72/56/61/390725661.db2.gz UDLAGCWNEDFPBW-GFCCVEGCSA-N 2 2 294.399 0.815 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]CCOC[C@H]1CCCO1)C1CC1 ZINC000571277567 390728368 /nfs/dbraw/zinc/72/83/68/390728368.db2.gz LHZDCPYZYKKJJU-ZIAGYGMSSA-N 2 2 272.389 0.227 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]CCOC[C@H]1CCCO1)C1CC1 ZINC000571277567 390728370 /nfs/dbraw/zinc/72/83/70/390728370.db2.gz LHZDCPYZYKKJJU-ZIAGYGMSSA-N 2 2 272.389 0.227 20 0 CCADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCN(C)C(=O)C2)n1C ZINC000567124698 390674743 /nfs/dbraw/zinc/67/47/43/390674743.db2.gz PITSWPFMSLUORK-LLVKDONJSA-N 2 2 250.346 0.687 20 0 CCADLP COC[C@@H](C)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000526118916 390678140 /nfs/dbraw/zinc/67/81/40/390678140.db2.gz TWBZGMQNRKUPNZ-RYUDHWBXSA-N 2 2 257.378 0.198 20 0 CCADLP COC[C@@H](C)C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000526118916 390678142 /nfs/dbraw/zinc/67/81/42/390678142.db2.gz TWBZGMQNRKUPNZ-RYUDHWBXSA-N 2 2 257.378 0.198 20 0 CCADLP C[NH2+]CCC[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000571408107 390734407 /nfs/dbraw/zinc/73/44/07/390734407.db2.gz QTNYKADQZRCGMR-HNNXBMFYSA-N 3 2 268.449 0.696 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000567402454 390697236 /nfs/dbraw/zinc/69/72/36/390697236.db2.gz VDXLCBVOSCRSTL-QLFBSQMISA-N 3 2 271.449 0.961 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000567402454 390697238 /nfs/dbraw/zinc/69/72/38/390697238.db2.gz VDXLCBVOSCRSTL-QLFBSQMISA-N 3 2 271.449 0.961 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CC(C)C2)CC1 ZINC000567485770 390700586 /nfs/dbraw/zinc/70/05/86/390700586.db2.gz PSYPKRAREMRFHQ-ZDUSSCGKSA-N 2 2 269.389 0.117 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000567485382 390700684 /nfs/dbraw/zinc/70/06/84/390700684.db2.gz DPRHNVLVLIPKPF-UPJWGTAASA-N 2 2 294.399 0.502 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000567485382 390700686 /nfs/dbraw/zinc/70/06/86/390700686.db2.gz DPRHNVLVLIPKPF-UPJWGTAASA-N 2 2 294.399 0.502 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000567485382 390700688 /nfs/dbraw/zinc/70/06/88/390700688.db2.gz DPRHNVLVLIPKPF-UPJWGTAASA-N 2 2 294.399 0.502 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000567485382 390700689 /nfs/dbraw/zinc/70/06/89/390700689.db2.gz DPRHNVLVLIPKPF-UPJWGTAASA-N 2 2 294.399 0.502 20 0 CCADLP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC1=O ZINC000567492628 390701273 /nfs/dbraw/zinc/70/12/73/390701273.db2.gz IUGWPQUIOUGLSI-OXHZDVMGSA-N 2 2 281.400 0.040 20 0 CCADLP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC1=O ZINC000567492628 390701275 /nfs/dbraw/zinc/70/12/75/390701275.db2.gz IUGWPQUIOUGLSI-OXHZDVMGSA-N 2 2 281.400 0.040 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)C[C@H]1CCC[C@H]1O ZINC000571815646 390754421 /nfs/dbraw/zinc/75/44/21/390754421.db2.gz IQCMNVPVFVZICJ-HZSPNIEDSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@H]1CCC[C@H]1O ZINC000571815646 390754422 /nfs/dbraw/zinc/75/44/22/390754422.db2.gz IQCMNVPVFVZICJ-HZSPNIEDSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000571815646 390754423 /nfs/dbraw/zinc/75/44/23/390754423.db2.gz IQCMNVPVFVZICJ-HZSPNIEDSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@H]1CCC[C@H]1O ZINC000571815646 390754425 /nfs/dbraw/zinc/75/44/25/390754425.db2.gz IQCMNVPVFVZICJ-HZSPNIEDSA-N 2 2 274.405 0.018 20 0 CCADLP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)C[NH3+])cc2)CC1 ZINC000572040840 390765283 /nfs/dbraw/zinc/76/52/83/390765283.db2.gz MNSNQIVBVXLLFR-UHFFFAOYSA-N 2 2 290.367 0.248 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000528660120 390766565 /nfs/dbraw/zinc/76/65/65/390766565.db2.gz ASUWRCPVVQGELC-AWEZNQCLSA-N 2 2 292.383 0.372 20 0 CCADLP CC(C)C[C@H]([NH3+])c1noc(CN2CC[NH2+]CC2=O)n1 ZINC000572119902 390768886 /nfs/dbraw/zinc/76/88/86/390768886.db2.gz BDFSEPNTZCVATE-VIFPVBQESA-N 2 2 267.333 0.047 20 0 CCADLP C[C@]1(CO)C[N@@H+](CCn2cc[nH+]c2)C[C@@]1(C)CO ZINC000528754040 390774858 /nfs/dbraw/zinc/77/48/58/390774858.db2.gz ZAXJXPIOSGYVBU-BETUJISGSA-N 2 2 253.346 0.196 20 0 CCADLP C[C@]1(CO)C[N@H+](CCn2cc[nH+]c2)C[C@@]1(C)CO ZINC000528754040 390774860 /nfs/dbraw/zinc/77/48/60/390774860.db2.gz ZAXJXPIOSGYVBU-BETUJISGSA-N 2 2 253.346 0.196 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O)C1CC1 ZINC000528789664 390779175 /nfs/dbraw/zinc/77/91/75/390779175.db2.gz RUMNASXUKDLDSF-SSHHRWTQSA-N 2 2 286.441 0.427 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O)C1CC1 ZINC000528789664 390779176 /nfs/dbraw/zinc/77/91/76/390779176.db2.gz RUMNASXUKDLDSF-SSHHRWTQSA-N 2 2 286.441 0.427 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O)C1CC1 ZINC000528789664 390779177 /nfs/dbraw/zinc/77/91/77/390779177.db2.gz RUMNASXUKDLDSF-SSHHRWTQSA-N 2 2 286.441 0.427 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O)C1CC1 ZINC000528789664 390779178 /nfs/dbraw/zinc/77/91/78/390779178.db2.gz RUMNASXUKDLDSF-SSHHRWTQSA-N 2 2 286.441 0.427 20 0 CCADLP COC[C@@H]([NH3+])C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000572843057 390806542 /nfs/dbraw/zinc/80/65/42/390806542.db2.gz IZJIPVZGKQFSOZ-LLVKDONJSA-N 2 2 266.345 0.152 20 0 CCADLP [NH3+][C@@H](C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1c(F)cccc1F ZINC000572362457 390779943 /nfs/dbraw/zinc/77/99/43/390779943.db2.gz LZWWEZUDQCBLAV-QTXBENEDSA-N 2 2 267.279 0.299 20 0 CCADLP C[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ncccc1F ZINC000528825999 390780417 /nfs/dbraw/zinc/78/04/17/390780417.db2.gz SNASMZBSOBEFQX-QWHCGFSZSA-N 2 2 296.390 0.480 20 0 CCADLP CC(C)Cn1nccc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000647202039 390787561 /nfs/dbraw/zinc/78/75/61/390787561.db2.gz KCPYNHAPJQVIKB-CQSZACIVSA-N 2 2 266.389 0.695 20 0 CCADLP CC(C)Cn1nccc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000647202039 390787563 /nfs/dbraw/zinc/78/75/63/390787563.db2.gz KCPYNHAPJQVIKB-CQSZACIVSA-N 2 2 266.389 0.695 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCCCCn1cc[nH+]c1 ZINC000572585449 390790554 /nfs/dbraw/zinc/79/05/54/390790554.db2.gz OGBWMEJGCDUSQS-STQMWFEESA-N 2 2 279.388 0.961 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]([C@H](C)CO)C1CCCC1 ZINC000572852749 390807220 /nfs/dbraw/zinc/80/72/20/390807220.db2.gz LQFGINLHKYTZFR-UKRRQHHQSA-N 2 2 288.432 0.551 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]([C@H](C)CO)C1CCCC1 ZINC000572852749 390807222 /nfs/dbraw/zinc/80/72/22/390807222.db2.gz LQFGINLHKYTZFR-UKRRQHHQSA-N 2 2 288.432 0.551 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]([C@H](C)CO)C1CCCC1 ZINC000572852749 390807223 /nfs/dbraw/zinc/80/72/23/390807223.db2.gz LQFGINLHKYTZFR-UKRRQHHQSA-N 2 2 288.432 0.551 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]([C@H](C)CO)C1CCCC1 ZINC000572852749 390807226 /nfs/dbraw/zinc/80/72/26/390807226.db2.gz LQFGINLHKYTZFR-UKRRQHHQSA-N 2 2 288.432 0.551 20 0 CCADLP Cc1ccccc1[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000572605741 390792310 /nfs/dbraw/zinc/79/23/10/390792310.db2.gz XFEKKQDSYMQEAV-UKRRQHHQSA-N 2 2 291.395 0.832 20 0 CCADLP Cc1ccccc1[C@@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000572605741 390792312 /nfs/dbraw/zinc/79/23/12/390792312.db2.gz XFEKKQDSYMQEAV-UKRRQHHQSA-N 2 2 291.395 0.832 20 0 CCADLP C[C@H](CO[C@@H]1CCOC1)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000572751744 390801253 /nfs/dbraw/zinc/80/12/53/390801253.db2.gz SJGHLTYSSJLDMF-MRVWCRGKSA-N 2 2 272.389 0.225 20 0 CCADLP C[C@H](CO[C@@H]1CCOC1)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000572751744 390801254 /nfs/dbraw/zinc/80/12/54/390801254.db2.gz SJGHLTYSSJLDMF-MRVWCRGKSA-N 2 2 272.389 0.225 20 0 CCADLP C[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)C(C)(C)C[NH+](C)C ZINC000571515746 390738243 /nfs/dbraw/zinc/73/82/43/390738243.db2.gz AIBLTJBEIKNQAQ-WDEREUQCSA-N 2 2 264.435 0.985 20 0 CCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000577998888 390857668 /nfs/dbraw/zinc/85/76/68/390857668.db2.gz TVRFHOLTBBYMMP-CYBMUJFWSA-N 2 2 291.399 0.933 20 0 CCADLP Cc1nc(N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)cc[nH+]1 ZINC000574898325 390822463 /nfs/dbraw/zinc/82/24/63/390822463.db2.gz ICEGXMWFLRGGBU-PHIMTYICSA-N 2 2 250.346 0.676 20 0 CCADLP Cc1nc(N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)cc[nH+]1 ZINC000574898325 390822465 /nfs/dbraw/zinc/82/24/65/390822465.db2.gz ICEGXMWFLRGGBU-PHIMTYICSA-N 2 2 250.346 0.676 20 0 CCADLP O=C(NC[C@@H]1COCC[NH2+]1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000529381675 390825504 /nfs/dbraw/zinc/82/55/04/390825504.db2.gz QXJFWEWZKCGMJT-VXGBXAGGSA-N 2 2 293.371 0.287 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CN(Cc2[nH+]ccn2CC(F)(F)F)CCO1 ZINC000647507543 390826339 /nfs/dbraw/zinc/82/63/39/390826339.db2.gz RKGOVEWRLNHWQP-ZJUUUORDSA-N 2 2 292.305 0.993 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000529429860 390830860 /nfs/dbraw/zinc/83/08/60/390830860.db2.gz JDLYVVCEQNEEGK-TXEJJXNPSA-N 2 2 250.346 0.743 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000529429860 390830862 /nfs/dbraw/zinc/83/08/62/390830862.db2.gz JDLYVVCEQNEEGK-TXEJJXNPSA-N 2 2 250.346 0.743 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)[NH2+]C[C@H](O)C(F)(F)F ZINC000647530404 390834312 /nfs/dbraw/zinc/83/43/12/390834312.db2.gz FXCQXADGSJHBFU-UWVGGRQHSA-N 2 2 272.311 0.592 20 0 CCADLP C[NH+](C)C[C@]1(O)CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000647625236 390852952 /nfs/dbraw/zinc/85/29/52/390852952.db2.gz ZCRUSFYWWCHBRW-CQSZACIVSA-N 2 2 280.372 0.188 20 0 CCADLP C[NH2+]C1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000578624579 390895099 /nfs/dbraw/zinc/89/50/99/390895099.db2.gz HXNZVISWOZRQDF-HNNXBMFYSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH2+]C1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000578624579 390895101 /nfs/dbraw/zinc/89/51/01/390895101.db2.gz HXNZVISWOZRQDF-HNNXBMFYSA-N 2 2 295.427 0.840 20 0 CCADLP Cc1nc(N)c(CNC(=O)[C@@H](C(C)C)[NH+](C)C)c[nH+]1 ZINC000578629981 390895596 /nfs/dbraw/zinc/89/55/96/390895596.db2.gz OQZUWHXRXVQQCI-LLVKDONJSA-N 2 2 265.361 0.400 20 0 CCADLP COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425334466 533456358 /nfs/dbraw/zinc/45/63/58/533456358.db2.gz GQEYTAUMBQMNKQ-WDEREUQCSA-N 2 2 280.372 0.917 20 0 CCADLP CNC(=O)C[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000341886476 130112403 /nfs/dbraw/zinc/11/24/03/130112403.db2.gz JRVMOXWJAIHLNV-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP CNC(=O)C[C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000341886476 130112404 /nfs/dbraw/zinc/11/24/04/130112404.db2.gz JRVMOXWJAIHLNV-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(=O)n4[nH]ccc4n3)C[C@H]21 ZINC000342078163 130240224 /nfs/dbraw/zinc/24/02/24/130240224.db2.gz CDCZUFUGJBPSGD-CYZMBNFOSA-N 2 2 287.367 0.582 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(=O)n4[nH]ccc4n3)C[C@H]21 ZINC000342078163 130240226 /nfs/dbraw/zinc/24/02/26/130240226.db2.gz CDCZUFUGJBPSGD-CYZMBNFOSA-N 2 2 287.367 0.582 20 0 CCADLP COCc1ccccc1CNC(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000342135709 130293666 /nfs/dbraw/zinc/29/36/66/130293666.db2.gz LCEUPNKWWGHKQJ-UHFFFAOYSA-N 2 2 291.395 0.920 20 0 CCADLP C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000342145353 130335912 /nfs/dbraw/zinc/33/59/12/130335912.db2.gz SKXZSYWFQIRMJV-RYUDHWBXSA-N 2 2 296.415 0.862 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000237300096 131022274 /nfs/dbraw/zinc/02/22/74/131022274.db2.gz QAZJGSISFHSIRY-NSHDSACASA-N 2 2 294.399 0.791 20 0 CCADLP COCC[NH2+]CCNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000237341964 131024941 /nfs/dbraw/zinc/02/49/41/131024941.db2.gz ZQCGDOFGCOUIGQ-UHFFFAOYSA-N 2 2 289.339 0.233 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000251655277 131130421 /nfs/dbraw/zinc/13/04/21/131130421.db2.gz KGNYCWNQBFWVFM-MCIONIFRSA-N 2 2 283.416 0.554 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000251655277 131130422 /nfs/dbraw/zinc/13/04/22/131130422.db2.gz KGNYCWNQBFWVFM-MCIONIFRSA-N 2 2 283.416 0.554 20 0 CCADLP O=C(NCCn1cc[nH+]c1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262505866 131227385 /nfs/dbraw/zinc/22/73/85/131227385.db2.gz JDLVCVVPVYSJFL-GXTWGEPZSA-N 2 2 262.357 0.779 20 0 CCADLP Cc1ncc([C@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2C)c(C)n1 ZINC000268888012 132083795 /nfs/dbraw/zinc/08/37/95/132083795.db2.gz JAOMBKGBAQHIKV-FZMZJTMJSA-N 2 2 277.416 0.990 20 0 CCADLP Cc1ncc([C@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2C)c(C)n1 ZINC000268888012 132083796 /nfs/dbraw/zinc/08/37/96/132083796.db2.gz JAOMBKGBAQHIKV-FZMZJTMJSA-N 2 2 277.416 0.990 20 0 CCADLP Cc1cn2cc(NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)ccc2[nH+]1 ZINC000269243823 132141569 /nfs/dbraw/zinc/14/15/69/132141569.db2.gz KYJKPAMSDOHPIS-GHMZBOCLSA-N 2 2 260.297 0.304 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000269252619 132142688 /nfs/dbraw/zinc/14/26/88/132142688.db2.gz ZMTTVHIWXSMRQI-JTQLQIEISA-N 2 2 250.346 0.619 20 0 CCADLP Cc1ccc(O)c(C[N@@H+](CCO)C2CC[NH+](C)CC2)n1 ZINC000269371606 132161480 /nfs/dbraw/zinc/16/14/80/132161480.db2.gz UBQXUOBAJRRWHV-UHFFFAOYSA-N 2 2 279.384 0.984 20 0 CCADLP Cc1ccc(O)c(C[N@H+](CCO)C2CC[NH+](C)CC2)n1 ZINC000269371606 132161482 /nfs/dbraw/zinc/16/14/82/132161482.db2.gz UBQXUOBAJRRWHV-UHFFFAOYSA-N 2 2 279.384 0.984 20 0 CCADLP C[C@H](Cn1cncn1)[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000657831172 413066102 /nfs/dbraw/zinc/06/61/02/413066102.db2.gz YXLQDMHCYRFVKB-MCIONIFRSA-N 2 2 281.404 0.756 20 0 CCADLP C[C@H](Cn1cncn1)[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000657831172 413066105 /nfs/dbraw/zinc/06/61/05/413066105.db2.gz YXLQDMHCYRFVKB-MCIONIFRSA-N 2 2 281.404 0.756 20 0 CCADLP O[C@@H](C[NH2+][C@H]1CCCn2nccc21)C[NH+]1CCCC1 ZINC000657842801 413067106 /nfs/dbraw/zinc/06/71/06/413067106.db2.gz AGDHMSXVURYDDS-STQMWFEESA-N 2 2 264.373 0.764 20 0 CCADLP CN(Cc1cnnn1C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685457582 545821528 /nfs/dbraw/zinc/82/15/28/545821528.db2.gz FLSNUFGPBPIJTN-AWEZNQCLSA-N 2 2 292.431 0.415 20 0 CCADLP CN(Cc1cnnn1C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685457582 545821534 /nfs/dbraw/zinc/82/15/34/545821534.db2.gz FLSNUFGPBPIJTN-AWEZNQCLSA-N 2 2 292.431 0.415 20 0 CCADLP CC[NH2+]CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)NC)cc1 ZINC000423246579 285599963 /nfs/dbraw/zinc/59/99/63/285599963.db2.gz NZMISDRPEVTNMY-NSHDSACASA-N 2 2 285.413 0.855 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000370603260 289076644 /nfs/dbraw/zinc/07/66/44/289076644.db2.gz JOTVUJGSPPSOSA-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H](Cn1cncn1)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000658025735 413090585 /nfs/dbraw/zinc/09/05/85/413090585.db2.gz KPOCLEVLONIFDM-OLZOCXBDSA-N 2 2 267.377 0.103 20 0 CCADLP C[C@H](Cn1cncn1)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000658025735 413090593 /nfs/dbraw/zinc/09/05/93/413090593.db2.gz KPOCLEVLONIFDM-OLZOCXBDSA-N 2 2 267.377 0.103 20 0 CCADLP C[C@@H](Cn1cncn1)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000658026164 413090868 /nfs/dbraw/zinc/09/08/68/413090868.db2.gz RRGHHTGHRNGJAR-STQMWFEESA-N 2 2 267.377 0.103 20 0 CCADLP C[C@@H](Cn1cncn1)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000658026164 413090874 /nfs/dbraw/zinc/09/08/74/413090874.db2.gz RRGHHTGHRNGJAR-STQMWFEESA-N 2 2 267.377 0.103 20 0 CCADLP CCC[N@@H+]1CC[C@@H]([NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000658283826 413116324 /nfs/dbraw/zinc/11/63/24/413116324.db2.gz DEEGCLVHHPJECW-MQYJIDSJSA-N 2 2 294.399 0.581 20 0 CCADLP CCC[N@H+]1CC[C@@H]([NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000658283826 413116328 /nfs/dbraw/zinc/11/63/28/413116328.db2.gz DEEGCLVHHPJECW-MQYJIDSJSA-N 2 2 294.399 0.581 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000357118548 144062440 /nfs/dbraw/zinc/06/24/40/144062440.db2.gz LUWDMHLRVLIPQZ-NWDGAFQWSA-N 2 2 278.356 0.794 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)C1 ZINC000357118548 144062442 /nfs/dbraw/zinc/06/24/42/144062442.db2.gz LUWDMHLRVLIPQZ-NWDGAFQWSA-N 2 2 278.356 0.794 20 0 CCADLP CCOC(=O)CC(C)(C)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000357616339 144105006 /nfs/dbraw/zinc/10/50/06/144105006.db2.gz XYZKFFDUYRURHG-UHFFFAOYSA-N 2 2 299.415 0.424 20 0 CCADLP CCOC(=O)CC(C)(C)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000357616339 144105007 /nfs/dbraw/zinc/10/50/07/144105007.db2.gz XYZKFFDUYRURHG-UHFFFAOYSA-N 2 2 299.415 0.424 20 0 CCADLP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc2[nH+]ccn2c1 ZINC000368206082 144211999 /nfs/dbraw/zinc/21/19/99/144211999.db2.gz ZSCTZZIUGMCYGY-QWRGUYRKSA-N 2 2 262.288 0.764 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCO[C@H](C(C)C)C1 ZINC000381115822 397484521 /nfs/dbraw/zinc/48/45/21/397484521.db2.gz DAQPPPKMZUYQRL-CABCVRRESA-N 2 2 288.432 0.672 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCO[C@H](C(C)C)C1 ZINC000381115822 397484523 /nfs/dbraw/zinc/48/45/23/397484523.db2.gz DAQPPPKMZUYQRL-CABCVRRESA-N 2 2 288.432 0.672 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCO[C@H](C(C)C)C1 ZINC000381115822 397484525 /nfs/dbraw/zinc/48/45/25/397484525.db2.gz DAQPPPKMZUYQRL-CABCVRRESA-N 2 2 288.432 0.672 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCO[C@H](C(C)C)C1 ZINC000381115822 397484527 /nfs/dbraw/zinc/48/45/27/397484527.db2.gz DAQPPPKMZUYQRL-CABCVRRESA-N 2 2 288.432 0.672 20 0 CCADLP O=C(C[NH2+]CC1CC1)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000370756122 144315059 /nfs/dbraw/zinc/31/50/59/144315059.db2.gz HGFTWLBBBAKHRI-UHFFFAOYSA-N 2 2 285.351 0.883 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000371317185 144326906 /nfs/dbraw/zinc/32/69/06/144326906.db2.gz OSYCPQWCHQAVBI-STQMWFEESA-N 2 2 290.367 0.797 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000371317185 144326908 /nfs/dbraw/zinc/32/69/08/144326908.db2.gz OSYCPQWCHQAVBI-STQMWFEESA-N 2 2 290.367 0.797 20 0 CCADLP CC[N@H+](CC(=O)N1CCC[C@H]([NH+]2CCOCC2)C1)C1CC1 ZINC000615547665 397586538 /nfs/dbraw/zinc/58/65/38/397586538.db2.gz QQKQBZAHIGFHAS-HNNXBMFYSA-N 2 2 295.427 0.794 20 0 CCADLP CC[N@@H+](CC(=O)N1CCC[C@H]([NH+]2CCOCC2)C1)C1CC1 ZINC000615547665 397586542 /nfs/dbraw/zinc/58/65/42/397586542.db2.gz QQKQBZAHIGFHAS-HNNXBMFYSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC23CCCC3)CC1 ZINC000649656312 397652548 /nfs/dbraw/zinc/65/25/48/397652548.db2.gz IGJQLABRKSEKRB-UHFFFAOYSA-N 2 2 251.374 0.779 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC23CCCC3)CC1 ZINC000649656312 397652549 /nfs/dbraw/zinc/65/25/49/397652549.db2.gz IGJQLABRKSEKRB-UHFFFAOYSA-N 2 2 251.374 0.779 20 0 CCADLP Cc1nsc(N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)n1 ZINC000649413898 397607638 /nfs/dbraw/zinc/60/76/38/397607638.db2.gz QHTLXTWRLIQXEH-LLVKDONJSA-N 2 2 267.402 0.578 20 0 CCADLP CC[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000649731688 397661404 /nfs/dbraw/zinc/66/14/04/397661404.db2.gz LHNRYBVQMCOPOB-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000649731688 397661407 /nfs/dbraw/zinc/66/14/07/397661407.db2.gz LHNRYBVQMCOPOB-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP C[C@@H](CC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)n1cc[nH+]c1 ZINC000649850779 397674803 /nfs/dbraw/zinc/67/48/03/397674803.db2.gz AJVUWQYOMFXMSL-RWMBFGLXSA-N 2 2 280.372 0.670 20 0 CCADLP C[C@@H](CC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)n1cc[nH+]c1 ZINC000649850779 397674805 /nfs/dbraw/zinc/67/48/05/397674805.db2.gz AJVUWQYOMFXMSL-RWMBFGLXSA-N 2 2 280.372 0.670 20 0 CCADLP CCO[C@@H]1C[C@@H]1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000344772972 286296685 /nfs/dbraw/zinc/29/66/85/286296685.db2.gz RALXRZYCOFJBQN-LSDHHAIUSA-N 2 2 297.443 0.896 20 0 CCADLP CCO[C@@H]1C[C@@H]1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000344772972 286296688 /nfs/dbraw/zinc/29/66/88/286296688.db2.gz RALXRZYCOFJBQN-LSDHHAIUSA-N 2 2 297.443 0.896 20 0 CCADLP COCCCNC(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420381724 292362458 /nfs/dbraw/zinc/36/24/58/292362458.db2.gz ZIJIITVUEYJYAQ-MROQNXINSA-N 2 2 271.405 0.504 20 0 CCADLP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000659312761 413402386 /nfs/dbraw/zinc/40/23/86/413402386.db2.gz BUXDVACSBFWVER-OLZOCXBDSA-N 2 2 292.383 0.529 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000422743763 287024938 /nfs/dbraw/zinc/02/49/38/287024938.db2.gz RTZRWQAKHOQBNN-RDBSUJKOSA-N 3 2 282.432 0.304 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000422743763 287024939 /nfs/dbraw/zinc/02/49/39/287024939.db2.gz RTZRWQAKHOQBNN-RDBSUJKOSA-N 3 2 282.432 0.304 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCCC[NH+](C)C ZINC000042921752 411626369 /nfs/dbraw/zinc/62/63/69/411626369.db2.gz VWNLNXYRALSZSL-LLVKDONJSA-N 2 2 253.350 0.523 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[NH+](C(C)C)CC2)CC1 ZINC000045777199 411639802 /nfs/dbraw/zinc/63/98/02/411639802.db2.gz QFPJVANZLPKBKZ-OAHLLOKOSA-N 2 2 296.459 0.565 20 0 CCADLP Cc1cc(NC(=O)CC[N@@H+]2CCO[C@H]([C@@H](C)[NH3+])C2)no1 ZINC000128572361 411718104 /nfs/dbraw/zinc/71/81/04/411718104.db2.gz HKHLWZMMJKZLHS-MNOVXSKESA-N 2 2 282.344 0.360 20 0 CCADLP Cc1cc(NC(=O)CC[N@H+]2CCO[C@H]([C@@H](C)[NH3+])C2)no1 ZINC000128572361 411718109 /nfs/dbraw/zinc/71/81/09/411718109.db2.gz HKHLWZMMJKZLHS-MNOVXSKESA-N 2 2 282.344 0.360 20 0 CCADLP COc1cc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)ccn1 ZINC000062070236 411686586 /nfs/dbraw/zinc/68/65/86/411686586.db2.gz PTMAOOAOUVDGLP-ZDUSSCGKSA-N 2 2 265.357 0.637 20 0 CCADLP Cn1c[nH+]c(CC[NH2+]C[C@@H](O)CC(F)(F)F)c1 ZINC000313254446 411753732 /nfs/dbraw/zinc/75/37/32/411753732.db2.gz STPXRPADVKVVEP-VIFPVBQESA-N 2 2 251.252 0.866 20 0 CCADLP OCC[NH+]1CCN(CCCC2CC[NH2+]CC2)CC1 ZINC000401049475 411779974 /nfs/dbraw/zinc/77/99/74/411779974.db2.gz KGTSBQINIXRJCO-UHFFFAOYSA-N 2 2 255.406 0.376 20 0 CCADLP C[C@H]1CCC[N@H+](Cc2nc(N)nc(N(C)C)n2)[C@H]1CC[NH3+] ZINC000404367432 411795774 /nfs/dbraw/zinc/79/57/74/411795774.db2.gz PXFKPEOSZFNKGW-QWRGUYRKSA-N 2 2 293.419 0.299 20 0 CCADLP C[C@H]1CCC[N@@H+](Cc2nc(N)nc(N(C)C)n2)[C@H]1CC[NH3+] ZINC000404367432 411795779 /nfs/dbraw/zinc/79/57/79/411795779.db2.gz PXFKPEOSZFNKGW-QWRGUYRKSA-N 2 2 293.419 0.299 20 0 CCADLP C[C@@H](CCCCO)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000651382140 411858098 /nfs/dbraw/zinc/85/80/98/411858098.db2.gz PNCOASLWZYBNGD-KBPBESRZSA-N 2 2 258.406 0.974 20 0 CCADLP C[C@@H](CCCCO)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000651382140 411858104 /nfs/dbraw/zinc/85/81/04/411858104.db2.gz PNCOASLWZYBNGD-KBPBESRZSA-N 2 2 258.406 0.974 20 0 CCADLP C[NH+](C)C1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651606223 411905708 /nfs/dbraw/zinc/90/57/08/411905708.db2.gz DDSGDCFCYFXFSW-UHFFFAOYSA-N 2 2 262.357 0.534 20 0 CCADLP CCN1C[C@H](C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1=O ZINC000652015132 411978086 /nfs/dbraw/zinc/97/80/86/411978086.db2.gz VETRJBCSOVORAO-SGMGOOAPSA-N 2 2 265.401 0.927 20 0 CCADLP CCN1C[C@H](C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1=O ZINC000652015132 411978087 /nfs/dbraw/zinc/97/80/87/411978087.db2.gz VETRJBCSOVORAO-SGMGOOAPSA-N 2 2 265.401 0.927 20 0 CCADLP [NH3+]CC1(CCNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000652193495 412000982 /nfs/dbraw/zinc/00/09/82/412000982.db2.gz KWSGVRRTHUXIBU-JTQLQIEISA-N 2 2 277.372 0.695 20 0 CCADLP [NH3+]CC1(CCNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000652193495 412000984 /nfs/dbraw/zinc/00/09/84/412000984.db2.gz KWSGVRRTHUXIBU-JTQLQIEISA-N 2 2 277.372 0.695 20 0 CCADLP [NH3+]CC1(CCNC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000652233266 412014001 /nfs/dbraw/zinc/01/40/01/412014001.db2.gz QQVWRBLSZZLLPP-BETUJISGSA-N 2 2 296.415 0.278 20 0 CCADLP [NH3+]CC1(CCNC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000652233266 412014005 /nfs/dbraw/zinc/01/40/05/412014005.db2.gz QQVWRBLSZZLLPP-BETUJISGSA-N 2 2 296.415 0.278 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000651921069 411961951 /nfs/dbraw/zinc/96/19/51/411961951.db2.gz ROWFOZMYCZDMHU-NTZNESFSSA-N 2 2 287.429 0.093 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000651921069 411961956 /nfs/dbraw/zinc/96/19/56/411961956.db2.gz ROWFOZMYCZDMHU-NTZNESFSSA-N 2 2 287.429 0.093 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1 ZINC000652350244 412033489 /nfs/dbraw/zinc/03/34/89/412033489.db2.gz NMKMDINFMODCCF-HZMBPMFUSA-N 3 2 279.388 0.824 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1 ZINC000652350244 412033492 /nfs/dbraw/zinc/03/34/92/412033492.db2.gz NMKMDINFMODCCF-HZMBPMFUSA-N 3 2 279.388 0.824 20 0 CCADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+])C(=O)N(C)C ZINC000652355416 412036185 /nfs/dbraw/zinc/03/61/85/412036185.db2.gz XPYAFECXHHIRLM-RWMBFGLXSA-N 2 2 298.431 0.029 20 0 CCADLP C[C@H](NC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+])C(=O)N(C)C ZINC000652355416 412036188 /nfs/dbraw/zinc/03/61/88/412036188.db2.gz XPYAFECXHHIRLM-RWMBFGLXSA-N 2 2 298.431 0.029 20 0 CCADLP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccon2)[C@@H]1CC[NH3+] ZINC000652353731 412037164 /nfs/dbraw/zinc/03/71/64/412037164.db2.gz BVZCMKRTQMKTDJ-GHMZBOCLSA-N 2 2 266.345 0.484 20 0 CCADLP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccon2)[C@@H]1CC[NH3+] ZINC000652353731 412037169 /nfs/dbraw/zinc/03/71/69/412037169.db2.gz BVZCMKRTQMKTDJ-GHMZBOCLSA-N 2 2 266.345 0.484 20 0 CCADLP Cn1ncnc1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652363983 412040676 /nfs/dbraw/zinc/04/06/76/412040676.db2.gz UAAFLSOKIBSZBP-YNEHKIRRSA-N 2 2 279.388 0.676 20 0 CCADLP Cn1ncnc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652363983 412040680 /nfs/dbraw/zinc/04/06/80/412040680.db2.gz UAAFLSOKIBSZBP-YNEHKIRRSA-N 2 2 279.388 0.676 20 0 CCADLP Cn1nnc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)n1 ZINC000652363908 412040725 /nfs/dbraw/zinc/04/07/25/412040725.db2.gz RODICYLLSFJYMO-UTUOFQBUSA-N 2 2 280.376 0.071 20 0 CCADLP Cn1nnc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)n1 ZINC000652363908 412040728 /nfs/dbraw/zinc/04/07/28/412040728.db2.gz RODICYLLSFJYMO-UTUOFQBUSA-N 2 2 280.376 0.071 20 0 CCADLP CC(C)n1cc([C@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cn1 ZINC000653089950 412214583 /nfs/dbraw/zinc/21/45/83/412214583.db2.gz ZPPYWMNGSOBWRT-AAEUAGOBSA-N 2 2 281.404 0.920 20 0 CCADLP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653052380 412202511 /nfs/dbraw/zinc/20/25/11/412202511.db2.gz CHBSFYPPWWFGAT-DGCLKSJQSA-N 3 2 258.410 0.145 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000653065099 412207945 /nfs/dbraw/zinc/20/79/45/412207945.db2.gz SYXBDYBBFJRQDQ-YFKPBYRVSA-N 2 2 297.306 0.774 20 0 CCADLP CCN(C[C@@H]1CCCO1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653078904 412210340 /nfs/dbraw/zinc/21/03/40/412210340.db2.gz NIROICMXGYBBMB-NWDGAFQWSA-N 2 2 257.378 0.293 20 0 CCADLP CC(C)[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(=O)N1CCCC1 ZINC000653090995 412214118 /nfs/dbraw/zinc/21/41/18/412214118.db2.gz FZXCPWHEAHDPOL-STQMWFEESA-N 2 2 298.431 0.029 20 0 CCADLP [NH3+]CC1(CCNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000653222599 412262861 /nfs/dbraw/zinc/26/28/61/412262861.db2.gz IJUKDKVYPNCHOY-CQSZACIVSA-N 2 2 295.427 0.875 20 0 CCADLP [NH3+]CC1(CCNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000653222599 412262864 /nfs/dbraw/zinc/26/28/64/412262864.db2.gz IJUKDKVYPNCHOY-CQSZACIVSA-N 2 2 295.427 0.875 20 0 CCADLP CO[C@@H](C)CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C(C)C ZINC000653094994 412216023 /nfs/dbraw/zinc/21/60/23/412216023.db2.gz XNODXLUCUIXWRV-NWDGAFQWSA-N 2 2 259.394 0.537 20 0 CCADLP COC[C@@H](Cc1ccccc1)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653096527 412216964 /nfs/dbraw/zinc/21/69/64/412216964.db2.gz NVRULRKJXBMESG-HUUCEWRRSA-N 2 2 293.411 0.639 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCOC[C@H]1c1ccccc1 ZINC000653097247 412217112 /nfs/dbraw/zinc/21/71/12/412217112.db2.gz HSPXXJDRJRRZKU-CABCVRRESA-N 2 2 291.395 0.866 20 0 CCADLP C[C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)Oc1ccccc1F ZINC000653096087 412217152 /nfs/dbraw/zinc/21/71/52/412217152.db2.gz CVWYFKSNHAQPPW-YPMHNXCESA-N 2 2 297.374 0.988 20 0 CCADLP CC(C)C[C@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)[NH+](C)C ZINC000653108122 412222289 /nfs/dbraw/zinc/22/22/89/412222289.db2.gz JPWGBIAYLYZLEF-CHWSQXEVSA-N 3 2 272.437 0.358 20 0 CCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653108179 412222586 /nfs/dbraw/zinc/22/25/86/412222586.db2.gz LVCPBYXOZCKWDY-OLZOCXBDSA-N 3 2 270.421 0.208 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C[NH+]1CCCCC1 ZINC000653111930 412224010 /nfs/dbraw/zinc/22/40/10/412224010.db2.gz GZOMOJPWICACRD-KBPBESRZSA-N 3 2 284.448 0.504 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000653113644 412225835 /nfs/dbraw/zinc/22/58/35/412225835.db2.gz KATYXTZHLBWBIZ-NXEZZACHSA-N 2 2 296.337 0.018 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653116531 412227856 /nfs/dbraw/zinc/22/78/56/412227856.db2.gz KGXHBJIOVWDBHC-STQMWFEESA-N 3 2 270.421 0.256 20 0 CCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653116531 412227858 /nfs/dbraw/zinc/22/78/58/412227858.db2.gz KGXHBJIOVWDBHC-STQMWFEESA-N 3 2 270.421 0.256 20 0 CCADLP Cc1nc(CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)sc1C ZINC000653121517 412229513 /nfs/dbraw/zinc/22/95/13/412229513.db2.gz XPWXYAKQGYMNGN-NSHDSACASA-N 2 2 284.429 0.698 20 0 CCADLP CC(C)Cn1ccnc1CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653122183 412232121 /nfs/dbraw/zinc/23/21/21/412232121.db2.gz PNXUMVFCQWCMFD-GFCCVEGCSA-N 2 2 281.404 0.434 20 0 CCADLP CN(C)c1cc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc[nH+]1 ZINC000653122840 412232881 /nfs/dbraw/zinc/23/28/81/412232881.db2.gz FQOMJOFEIQSVDW-LLVKDONJSA-N 3 2 265.361 0.365 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000653142014 412239618 /nfs/dbraw/zinc/23/96/18/412239618.db2.gz YXDXWMMGRCPNNM-ZDUSSCGKSA-N 3 2 292.383 0.386 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000653143133 412240445 /nfs/dbraw/zinc/24/04/45/412240445.db2.gz FRFBQPKGINOKBO-KFWWJZLASA-N 3 2 296.459 0.504 20 0 CCADLP C[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)[C@H](C)[NH3+] ZINC000653144903 412240963 /nfs/dbraw/zinc/24/09/63/412240963.db2.gz LSCPBASHZNYMDN-VHSXEESVSA-N 2 2 250.346 0.614 20 0 CCADLP C[C@]1(F)C[NH2+]CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000653144256 412241009 /nfs/dbraw/zinc/24/10/09/412241009.db2.gz KXUUXVJSNGPEOG-HNNXBMFYSA-N 2 2 294.374 0.922 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)CC(F)(F)C[NH3+])C[C@H](C)O1 ZINC000653150552 412243011 /nfs/dbraw/zinc/24/30/11/412243011.db2.gz FQHVVRKZTAWSEC-PHIMTYICSA-N 2 2 293.358 0.538 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)CC(F)(F)C[NH3+])C[C@H](C)O1 ZINC000653150552 412243014 /nfs/dbraw/zinc/24/30/14/412243014.db2.gz FQHVVRKZTAWSEC-PHIMTYICSA-N 2 2 293.358 0.538 20 0 CCADLP COc1ccc(N(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C)c(OC)c1 ZINC000653151532 412243634 /nfs/dbraw/zinc/24/36/34/412243634.db2.gz JLMHUQUFRVNLFO-LBPRGKRZSA-N 2 2 295.383 0.946 20 0 CCADLP Cc1cnc([C@H](C)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)s1 ZINC000653155836 412244772 /nfs/dbraw/zinc/24/47/72/412244772.db2.gz IRWNXWVDVKLYJR-KOLCDFICSA-N 2 2 284.429 0.950 20 0 CCADLP CCc1nn(C)c(CC)c1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653156903 412246932 /nfs/dbraw/zinc/24/69/32/412246932.db2.gz OSLOJIJAOCNDKN-LBPRGKRZSA-N 2 2 295.431 0.440 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000653167069 412249509 /nfs/dbraw/zinc/24/95/09/412249509.db2.gz HJWMGQWWPPGEDL-HUUCEWRRSA-N 3 2 290.411 0.350 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C1CC1 ZINC000653543513 412313662 /nfs/dbraw/zinc/31/36/62/412313662.db2.gz QKDFWRLIHWHPSC-KBPBESRZSA-N 2 2 256.390 0.800 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C1CC1 ZINC000653543513 412313664 /nfs/dbraw/zinc/31/36/64/412313664.db2.gz QKDFWRLIHWHPSC-KBPBESRZSA-N 2 2 256.390 0.800 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1C1CC1 ZINC000653543513 412313667 /nfs/dbraw/zinc/31/36/67/412313667.db2.gz QKDFWRLIHWHPSC-KBPBESRZSA-N 2 2 256.390 0.800 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1C1CC1 ZINC000653543513 412313669 /nfs/dbraw/zinc/31/36/69/412313669.db2.gz QKDFWRLIHWHPSC-KBPBESRZSA-N 2 2 256.390 0.800 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC=C(COC)CC1 ZINC000653622758 412325540 /nfs/dbraw/zinc/32/55/40/412325540.db2.gz RYNCWMSVJMGVTL-AWEZNQCLSA-N 2 2 272.389 0.204 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC=C(COC)CC1 ZINC000653622758 412325542 /nfs/dbraw/zinc/32/55/42/412325542.db2.gz RYNCWMSVJMGVTL-AWEZNQCLSA-N 2 2 272.389 0.204 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC=C(COC)CC1 ZINC000653622758 412325546 /nfs/dbraw/zinc/32/55/46/412325546.db2.gz RYNCWMSVJMGVTL-AWEZNQCLSA-N 2 2 272.389 0.204 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC=C(COC)CC1 ZINC000653622758 412325548 /nfs/dbraw/zinc/32/55/48/412325548.db2.gz RYNCWMSVJMGVTL-AWEZNQCLSA-N 2 2 272.389 0.204 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]([NH+](C)C)CC1 ZINC000653642832 412328965 /nfs/dbraw/zinc/32/89/65/412328965.db2.gz YHKNPXAZJCIIRY-GJZGRUSLSA-N 3 2 287.448 0.342 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]([NH+](C)C)CC1 ZINC000653642832 412328967 /nfs/dbraw/zinc/32/89/67/412328967.db2.gz YHKNPXAZJCIIRY-GJZGRUSLSA-N 3 2 287.448 0.342 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000653642832 412328970 /nfs/dbraw/zinc/32/89/70/412328970.db2.gz YHKNPXAZJCIIRY-GJZGRUSLSA-N 3 2 287.448 0.342 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000653642832 412328973 /nfs/dbraw/zinc/32/89/73/412328973.db2.gz YHKNPXAZJCIIRY-GJZGRUSLSA-N 3 2 287.448 0.342 20 0 CCADLP O=c1ccccn1CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000653644885 412329634 /nfs/dbraw/zinc/32/96/34/412329634.db2.gz VENKJHWUKUTXRP-UHFFFAOYSA-N 2 2 273.340 0.394 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654426644 412395417 /nfs/dbraw/zinc/39/54/17/412395417.db2.gz OLIHDKQHABSPCZ-PHIMTYICSA-N 2 2 265.361 0.560 20 0 CCADLP C[NH+](C)CC(C)(C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000654659088 412423542 /nfs/dbraw/zinc/42/35/42/412423542.db2.gz HMMWECDPZXPBMX-NSHDSACASA-N 2 2 264.373 0.902 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000655124965 412482385 /nfs/dbraw/zinc/48/23/85/412482385.db2.gz CAUSHYHOBZSMQM-NSHDSACASA-N 2 2 250.346 0.859 20 0 CCADLP CCO[C@H](CC[NH+](C)C)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000654878606 412447752 /nfs/dbraw/zinc/44/77/52/412447752.db2.gz YIYKILJHWIFXIP-CYBMUJFWSA-N 2 2 285.432 0.801 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)N(C)CCC[NH3+])c2[nH+]ccn21 ZINC000659502298 413557309 /nfs/dbraw/zinc/55/73/09/413557309.db2.gz VEQOFKAJWRHWAS-ZJUUUORDSA-N 2 2 251.334 0.879 20 0 CCADLP O=C(NC[C@H]1CCCC[NH2+]1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659507317 413567855 /nfs/dbraw/zinc/56/78/55/413567855.db2.gz HWNCOYVVOIXNKQ-KGLIPLIRSA-N 2 2 296.415 0.245 20 0 CCADLP O=C(NC[C@@H]1CCC[NH2+]C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659509819 413570266 /nfs/dbraw/zinc/57/02/66/413570266.db2.gz ISSNRNQOGARWPZ-KGLIPLIRSA-N 2 2 296.415 0.102 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659523842 413597217 /nfs/dbraw/zinc/59/72/17/413597217.db2.gz XMKAWLGYLYVGGT-ZIAGYGMSSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H](C[NH3+])CNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000659525790 413600640 /nfs/dbraw/zinc/60/06/40/413600640.db2.gz IHMCSRKLQBZDSL-ZDUSSCGKSA-N 2 2 298.431 0.335 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000659534861 413620002 /nfs/dbraw/zinc/62/00/02/413620002.db2.gz BMIVJZOBPQMJNS-NXEZZACHSA-N 2 2 251.334 0.821 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000659534861 413620009 /nfs/dbraw/zinc/62/00/09/413620009.db2.gz BMIVJZOBPQMJNS-NXEZZACHSA-N 2 2 251.334 0.821 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000659636972 413739183 /nfs/dbraw/zinc/73/91/83/413739183.db2.gz SMFUYADJURIRBC-ZDUSSCGKSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@@H](NC(=O)N(C)CC(C)(C)[NH3+])c1[nH+]ccn1C ZINC000659627652 413726045 /nfs/dbraw/zinc/72/60/45/413726045.db2.gz HOJAKBVQDTUVMV-SECBINFHSA-N 2 2 253.350 0.860 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000659649854 413754478 /nfs/dbraw/zinc/75/44/78/413754478.db2.gz ZTCKBEZGTNCKHU-SNVBAGLBSA-N 2 2 265.361 0.907 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000659649854 413754481 /nfs/dbraw/zinc/75/44/81/413754481.db2.gz ZTCKBEZGTNCKHU-SNVBAGLBSA-N 2 2 265.361 0.907 20 0 CCADLP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(=O)[nH]n1 ZINC000285509051 196308639 /nfs/dbraw/zinc/30/86/39/196308639.db2.gz DEFFZQFUKYBTAC-UPJWGTAASA-N 2 2 294.399 0.920 20 0 CCADLP CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000285592830 196336433 /nfs/dbraw/zinc/33/64/33/196336433.db2.gz LPSCROWFTYZUFR-GFCCVEGCSA-N 2 2 286.401 0.239 20 0 CCADLP CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000285592830 196336435 /nfs/dbraw/zinc/33/64/35/196336435.db2.gz LPSCROWFTYZUFR-GFCCVEGCSA-N 2 2 286.401 0.239 20 0 CCADLP C[C@H]1C[C@@H]([NH+](C)CCN2C(=O)CN(C)C2=O)CC[N@@H+]1C ZINC000659983804 414020878 /nfs/dbraw/zinc/02/08/78/414020878.db2.gz WCZBJEZHIDWEOQ-RYUDHWBXSA-N 2 2 282.388 0.295 20 0 CCADLP C[C@H]1C[C@@H]([NH+](C)CCN2C(=O)CN(C)C2=O)CC[N@H+]1C ZINC000659983804 414020882 /nfs/dbraw/zinc/02/08/82/414020882.db2.gz WCZBJEZHIDWEOQ-RYUDHWBXSA-N 2 2 282.388 0.295 20 0 CCADLP C[C@H]1C[C@@H]([N@H+](C)CCN2C(=O)CN(C)C2=O)CC[NH+]1C ZINC000659983804 414020885 /nfs/dbraw/zinc/02/08/85/414020885.db2.gz WCZBJEZHIDWEOQ-RYUDHWBXSA-N 2 2 282.388 0.295 20 0 CCADLP C[C@H]1C[C@@H]([N@@H+](C)CCN2C(=O)CN(C)C2=O)CC[NH+]1C ZINC000659983804 414020889 /nfs/dbraw/zinc/02/08/89/414020889.db2.gz WCZBJEZHIDWEOQ-RYUDHWBXSA-N 2 2 282.388 0.295 20 0 CCADLP COc1ccccc1C[NH+]1CCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000285690839 196367692 /nfs/dbraw/zinc/36/76/92/196367692.db2.gz AQCBMRKHSPGBFK-ZDUSSCGKSA-N 2 2 291.395 0.934 20 0 CCADLP Cc1cn2cc(NC(=O)C[C@H]3COCC[NH2+]3)ccc2[nH+]1 ZINC000285695706 196369296 /nfs/dbraw/zinc/36/92/96/196369296.db2.gz BGTLERDGMBXXBO-LBPRGKRZSA-N 2 2 274.324 0.960 20 0 CCADLP COC[C@@H](C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)OC ZINC000660120933 414129157 /nfs/dbraw/zinc/12/91/57/414129157.db2.gz QQQMTYQQVSFFDQ-KGLIPLIRSA-N 2 2 299.415 0.062 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@@]2(O)CCCOC2)C1 ZINC000660128905 414140390 /nfs/dbraw/zinc/14/03/90/414140390.db2.gz OCQDZTFUAUHYMW-JSGCOSHPSA-N 2 2 265.357 0.751 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@@]2(O)CCCOC2)C1 ZINC000660128905 414140397 /nfs/dbraw/zinc/14/03/97/414140397.db2.gz OCQDZTFUAUHYMW-JSGCOSHPSA-N 2 2 265.357 0.751 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)CN(C)[C@H](C)C[NH+]1CCOCC1 ZINC000660435456 414313450 /nfs/dbraw/zinc/31/34/50/414313450.db2.gz GYESZLIVKFDZIB-CABCVRRESA-N 2 2 287.448 0.340 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)CN(C)[C@H](C)C[NH+]1CCOCC1 ZINC000660435456 414313457 /nfs/dbraw/zinc/31/34/57/414313457.db2.gz GYESZLIVKFDZIB-CABCVRRESA-N 2 2 287.448 0.340 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)CN1CCOCC1 ZINC000660435456 414313466 /nfs/dbraw/zinc/31/34/66/414313466.db2.gz GYESZLIVKFDZIB-CABCVRRESA-N 2 2 287.448 0.340 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)CN1CCOCC1 ZINC000660435456 414313472 /nfs/dbraw/zinc/31/34/72/414313472.db2.gz GYESZLIVKFDZIB-CABCVRRESA-N 2 2 287.448 0.340 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)CN1CCOCC1 ZINC000660435456 414313479 /nfs/dbraw/zinc/31/34/79/414313479.db2.gz GYESZLIVKFDZIB-CABCVRRESA-N 2 2 287.448 0.340 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)CN1CCOCC1 ZINC000660435456 414313487 /nfs/dbraw/zinc/31/34/87/414313487.db2.gz GYESZLIVKFDZIB-CABCVRRESA-N 2 2 287.448 0.340 20 0 CCADLP CN(C)C(=O)CC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660471487 414342234 /nfs/dbraw/zinc/34/22/34/414342234.db2.gz AFFCEBAGSBQGOE-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP CN(C)C(=O)CC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660471487 414342240 /nfs/dbraw/zinc/34/22/40/414342240.db2.gz AFFCEBAGSBQGOE-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP OCCOCC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660471597 414345157 /nfs/dbraw/zinc/34/51/57/414345157.db2.gz BJWISGRDHHKGJL-CQSZACIVSA-N 2 2 272.389 0.182 20 0 CCADLP OCCOCC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660471597 414345162 /nfs/dbraw/zinc/34/51/62/414345162.db2.gz BJWISGRDHHKGJL-CQSZACIVSA-N 2 2 272.389 0.182 20 0 CCADLP CCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@@H]1CC(=O)N(C)C1=O ZINC000660485225 414353287 /nfs/dbraw/zinc/35/32/87/414353287.db2.gz DLMGMFUOFDRODI-QWHCGFSZSA-N 2 2 299.415 0.157 20 0 CCADLP CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@@H]1CC(=O)N(C)C1=O ZINC000660485225 414353291 /nfs/dbraw/zinc/35/32/91/414353291.db2.gz DLMGMFUOFDRODI-QWHCGFSZSA-N 2 2 299.415 0.157 20 0 CCADLP CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)[C@@H]1CC(=O)N(C)C1=O ZINC000660485225 414353297 /nfs/dbraw/zinc/35/32/97/414353297.db2.gz DLMGMFUOFDRODI-QWHCGFSZSA-N 2 2 299.415 0.157 20 0 CCADLP CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)[C@@H]1CC(=O)N(C)C1=O ZINC000660485225 414353301 /nfs/dbraw/zinc/35/33/01/414353301.db2.gz DLMGMFUOFDRODI-QWHCGFSZSA-N 2 2 299.415 0.157 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000660453867 414332501 /nfs/dbraw/zinc/33/25/01/414332501.db2.gz SDOGUUOCFKOIPF-ILXRZTDVSA-N 2 2 286.416 0.567 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000660453867 414332506 /nfs/dbraw/zinc/33/25/06/414332506.db2.gz SDOGUUOCFKOIPF-ILXRZTDVSA-N 2 2 286.416 0.567 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000660453867 414332509 /nfs/dbraw/zinc/33/25/09/414332509.db2.gz SDOGUUOCFKOIPF-ILXRZTDVSA-N 2 2 286.416 0.567 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000660453867 414332513 /nfs/dbraw/zinc/33/25/13/414332513.db2.gz SDOGUUOCFKOIPF-ILXRZTDVSA-N 2 2 286.416 0.567 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCC(=O)N(C)C1 ZINC000660623641 414414797 /nfs/dbraw/zinc/41/47/97/414414797.db2.gz PDINGCFIWKOGQF-STQMWFEESA-N 2 2 271.405 0.240 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCC(=O)N(C)C1 ZINC000660623641 414414798 /nfs/dbraw/zinc/41/47/98/414414798.db2.gz PDINGCFIWKOGQF-STQMWFEESA-N 2 2 271.405 0.240 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000660623641 414414799 /nfs/dbraw/zinc/41/47/99/414414799.db2.gz PDINGCFIWKOGQF-STQMWFEESA-N 2 2 271.405 0.240 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000660623641 414414800 /nfs/dbraw/zinc/41/48/00/414414800.db2.gz PDINGCFIWKOGQF-STQMWFEESA-N 2 2 271.405 0.240 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CN(C)CC[NH+]2C)C1 ZINC000660640753 414423072 /nfs/dbraw/zinc/42/30/72/414423072.db2.gz UXIFOLXAKIMFPC-KGLIPLIRSA-N 2 2 297.447 0.016 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)NC[C@H]2CN(C)CC[NH+]2C)C1 ZINC000660640753 414423075 /nfs/dbraw/zinc/42/30/75/414423075.db2.gz UXIFOLXAKIMFPC-KGLIPLIRSA-N 2 2 297.447 0.016 20 0 CCADLP CCC[NH+]1CC[C@@H](NC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)C1 ZINC000660640753 414423077 /nfs/dbraw/zinc/42/30/77/414423077.db2.gz UXIFOLXAKIMFPC-KGLIPLIRSA-N 2 2 297.447 0.016 20 0 CCADLP CCC[NH+]1CC[C@@H](NC(=O)NC[C@H]2CN(C)CC[N@H+]2C)C1 ZINC000660640753 414423080 /nfs/dbraw/zinc/42/30/80/414423080.db2.gz UXIFOLXAKIMFPC-KGLIPLIRSA-N 2 2 297.447 0.016 20 0 CCADLP CC(=O)[C@@](C)(O)C[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660695930 414444800 /nfs/dbraw/zinc/44/48/00/414444800.db2.gz DGVTUSHSZMBZAG-AWEZNQCLSA-N 2 2 286.416 0.399 20 0 CCADLP C[C@H](NC(=O)NC[C@H](C)[NH+](C)C)c1[nH+]ccn1C ZINC000661276159 414588416 /nfs/dbraw/zinc/58/84/16/414588416.db2.gz VMEIQWKBQPYNBN-UWVGGRQHSA-N 2 2 253.350 0.730 20 0 CCADLP C[C@@H](CO)[C@@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000661438772 414626718 /nfs/dbraw/zinc/62/67/18/414626718.db2.gz WJERWAHECBPFCL-KBPBESRZSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@@H](CO)[C@@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000661438772 414626721 /nfs/dbraw/zinc/62/67/21/414626721.db2.gz WJERWAHECBPFCL-KBPBESRZSA-N 2 2 283.416 0.243 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccccc1F ZINC000038030951 174023877 /nfs/dbraw/zinc/02/38/77/174023877.db2.gz NPIKAZIDDCOXBY-UHFFFAOYSA-N 2 2 265.332 0.689 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccccc1F ZINC000038030951 174023879 /nfs/dbraw/zinc/02/38/79/174023879.db2.gz NPIKAZIDDCOXBY-UHFFFAOYSA-N 2 2 265.332 0.689 20 0 CCADLP O=C1CC[C@@H]2C[N@H+](CCCn3cc[nH+]c3)CC[C@@H]2N1 ZINC000661599566 414649358 /nfs/dbraw/zinc/64/93/58/414649358.db2.gz DWFQRSOYRFBBCL-OLZOCXBDSA-N 2 2 262.357 0.874 20 0 CCADLP O=C1CC[C@@H]2C[N@@H+](CCCn3cc[nH+]c3)CC[C@@H]2N1 ZINC000661599566 414649361 /nfs/dbraw/zinc/64/93/61/414649361.db2.gz DWFQRSOYRFBBCL-OLZOCXBDSA-N 2 2 262.357 0.874 20 0 CCADLP C([C@H]1C[NH2+]CCO1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000662262511 414701805 /nfs/dbraw/zinc/70/18/05/414701805.db2.gz VUQLAHSWQMXBDO-LSDHHAIUSA-N 2 2 283.416 0.162 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000662262511 414701806 /nfs/dbraw/zinc/70/18/06/414701806.db2.gz VUQLAHSWQMXBDO-LSDHHAIUSA-N 2 2 283.416 0.162 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000662262511 414701807 /nfs/dbraw/zinc/70/18/07/414701807.db2.gz VUQLAHSWQMXBDO-LSDHHAIUSA-N 2 2 283.416 0.162 20 0 CCADLP C(C1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1)[NH+]1CCOCC1 ZINC000662260911 414702253 /nfs/dbraw/zinc/70/22/53/414702253.db2.gz QYSLNDYGAMLNPG-HNNXBMFYSA-N 3 2 283.416 0.019 20 0 CCADLP Cc1nnc([C@@H](C)[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)[nH]1 ZINC000662274234 414704085 /nfs/dbraw/zinc/70/40/85/414704085.db2.gz SFNVKGNJUGQKBD-ZYHUDNBSSA-N 2 2 279.388 0.861 20 0 CCADLP Cc1nnc([C@@H](C)[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)[nH]1 ZINC000662274234 414704086 /nfs/dbraw/zinc/70/40/86/414704086.db2.gz SFNVKGNJUGQKBD-ZYHUDNBSSA-N 2 2 279.388 0.861 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000662274473 414704120 /nfs/dbraw/zinc/70/41/20/414704120.db2.gz ULMAHAKDCVFFCF-RDBSUJKOSA-N 3 2 253.390 0.296 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000662274473 414704121 /nfs/dbraw/zinc/70/41/21/414704121.db2.gz ULMAHAKDCVFFCF-RDBSUJKOSA-N 3 2 253.390 0.296 20 0 CCADLP Nc1nccc([C@H]2CCC[N@H+](C[C@H]3C[NH2+]CCO3)C2)n1 ZINC000662277010 414704764 /nfs/dbraw/zinc/70/47/64/414704764.db2.gz NAYDMIRUXQPPCZ-NWDGAFQWSA-N 2 2 277.372 0.227 20 0 CCADLP Nc1nccc([C@H]2CCC[N@@H+](C[C@H]3C[NH2+]CCO3)C2)n1 ZINC000662277010 414704765 /nfs/dbraw/zinc/70/47/65/414704765.db2.gz NAYDMIRUXQPPCZ-NWDGAFQWSA-N 2 2 277.372 0.227 20 0 CCADLP NS(=O)(=O)c1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)co1 ZINC000662283914 414706090 /nfs/dbraw/zinc/70/60/90/414706090.db2.gz DMXLDFASPSSTEZ-AAEUAGOBSA-N 2 2 299.396 0.488 20 0 CCADLP NS(=O)(=O)c1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)co1 ZINC000662283914 414706091 /nfs/dbraw/zinc/70/60/91/414706091.db2.gz DMXLDFASPSSTEZ-AAEUAGOBSA-N 2 2 299.396 0.488 20 0 CCADLP Cc1ccsc1CNC(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662287047 414706542 /nfs/dbraw/zinc/70/65/42/414706542.db2.gz QUQHKGSAWKWVSE-UHFFFAOYSA-N 2 2 297.424 0.377 20 0 CCADLP CO[C@H](C[N@H+](CC[NH3+])C[C@@H](O)CO)C1CCCCC1 ZINC000662286636 414706606 /nfs/dbraw/zinc/70/66/06/414706606.db2.gz UNUWRHLURAYFDT-ZIAGYGMSSA-N 2 2 274.405 0.196 20 0 CCADLP CO[C@H](C[N@@H+](CC[NH3+])C[C@@H](O)CO)C1CCCCC1 ZINC000662286636 414706607 /nfs/dbraw/zinc/70/66/07/414706607.db2.gz UNUWRHLURAYFDT-ZIAGYGMSSA-N 2 2 274.405 0.196 20 0 CCADLP CC[C@@H](CC(F)F)C[N@H+](CC[NH3+])C[C@H](O)CO ZINC000662286258 414706692 /nfs/dbraw/zinc/70/66/92/414706692.db2.gz PFNLJYVTWIGMPF-UWVGGRQHSA-N 2 2 254.321 0.282 20 0 CCADLP CC[C@@H](CC(F)F)C[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000662286258 414706693 /nfs/dbraw/zinc/70/66/93/414706693.db2.gz PFNLJYVTWIGMPF-UWVGGRQHSA-N 2 2 254.321 0.282 20 0 CCADLP [NH3+]CC[N@H+](CC[C@H]1CCc2ccccc21)C[C@@H](O)CO ZINC000662286690 414706895 /nfs/dbraw/zinc/70/68/95/414706895.db2.gz XMCCNTOGKZTCQM-HUUCEWRRSA-N 2 2 278.396 0.720 20 0 CCADLP [NH3+]CC[N@@H+](CC[C@H]1CCc2ccccc21)C[C@@H](O)CO ZINC000662286690 414706896 /nfs/dbraw/zinc/70/68/96/414706896.db2.gz XMCCNTOGKZTCQM-HUUCEWRRSA-N 2 2 278.396 0.720 20 0 CCADLP Cn1nnc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000662295172 414707712 /nfs/dbraw/zinc/70/77/12/414707712.db2.gz UAMHKCCEJQHMBK-LBPRGKRZSA-N 2 2 264.377 0.422 20 0 CCADLP Cn1nnc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000662295172 414707713 /nfs/dbraw/zinc/70/77/13/414707713.db2.gz UAMHKCCEJQHMBK-LBPRGKRZSA-N 2 2 264.377 0.422 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000662335298 414710864 /nfs/dbraw/zinc/71/08/64/414710864.db2.gz JTYXTSFVQRQLPG-ZMLRMANQSA-N 2 2 266.332 0.701 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000662335298 414710865 /nfs/dbraw/zinc/71/08/65/414710865.db2.gz JTYXTSFVQRQLPG-ZMLRMANQSA-N 2 2 266.332 0.701 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662149989 414693521 /nfs/dbraw/zinc/69/35/21/414693521.db2.gz RLMUHUHCPQSZRB-HNNXBMFYSA-N 3 2 278.400 0.723 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662149989 414693522 /nfs/dbraw/zinc/69/35/22/414693522.db2.gz RLMUHUHCPQSZRB-HNNXBMFYSA-N 3 2 278.400 0.723 20 0 CCADLP Cn1c[nH+]cc1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662155466 414694084 /nfs/dbraw/zinc/69/40/84/414694084.db2.gz JDZMNBRNKFBFBP-AWEZNQCLSA-N 2 2 264.373 0.451 20 0 CCADLP Cn1c[nH+]cc1CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662155466 414694085 /nfs/dbraw/zinc/69/40/85/414694085.db2.gz JDZMNBRNKFBFBP-AWEZNQCLSA-N 2 2 264.373 0.451 20 0 CCADLP CC(C)OC[C@@H](O)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662153941 414694516 /nfs/dbraw/zinc/69/45/16/414694516.db2.gz FEDWZHJSGQIDGP-CABCVRRESA-N 2 2 286.416 0.303 20 0 CCADLP CC(C)OC[C@@H](O)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662153941 414694517 /nfs/dbraw/zinc/69/45/17/414694517.db2.gz FEDWZHJSGQIDGP-CABCVRRESA-N 2 2 286.416 0.303 20 0 CCADLP CC(C)OC[C@H](O)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662154173 414694558 /nfs/dbraw/zinc/69/45/58/414694558.db2.gz FEDWZHJSGQIDGP-LSDHHAIUSA-N 2 2 286.416 0.303 20 0 CCADLP CC(C)OC[C@H](O)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662154173 414694559 /nfs/dbraw/zinc/69/45/59/414694559.db2.gz FEDWZHJSGQIDGP-LSDHHAIUSA-N 2 2 286.416 0.303 20 0 CCADLP O=C1CCCN1[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662256536 414700758 /nfs/dbraw/zinc/70/07/58/414700758.db2.gz JBBMJJIKDVHUSO-STQMWFEESA-N 2 2 267.373 0.062 20 0 CCADLP O=C1CCCN1[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662256536 414700759 /nfs/dbraw/zinc/70/07/59/414700759.db2.gz JBBMJJIKDVHUSO-STQMWFEESA-N 2 2 267.373 0.062 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000662360411 414712022 /nfs/dbraw/zinc/71/20/22/414712022.db2.gz BOMLXJAYXXPGQU-CQSZACIVSA-N 2 2 276.384 0.724 20 0 CCADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000662447695 414719472 /nfs/dbraw/zinc/71/94/72/414719472.db2.gz DICYMQSAHUCZLG-OLZOCXBDSA-N 2 2 291.399 0.192 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662458600 414720484 /nfs/dbraw/zinc/72/04/84/414720484.db2.gz YOHWBISBXGHWMU-TZMCWYRMSA-N 3 2 282.432 0.269 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662458600 414720485 /nfs/dbraw/zinc/72/04/85/414720485.db2.gz YOHWBISBXGHWMU-TZMCWYRMSA-N 3 2 282.432 0.269 20 0 CCADLP CC(C)OC[C@H]([NH3+])C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000662493167 414722906 /nfs/dbraw/zinc/72/29/06/414722906.db2.gz ZBCQAWWIIAJOKB-LBPRGKRZSA-N 2 2 280.372 0.868 20 0 CCADLP Cc1cc(NC(=O)c2cn[nH]c2[C@@H]2CC[NH2+]C2)cc[nH+]1 ZINC000662523905 414725178 /nfs/dbraw/zinc/72/51/78/414725178.db2.gz GLJMRIHVBILIOJ-SNVBAGLBSA-N 2 2 271.324 0.864 20 0 CCADLP CCO[C@H]1C[C@@]([NH3+])(C(=O)N(C)Cc2c[nH+]c[nH]2)C1(C)C ZINC000662586583 414730331 /nfs/dbraw/zinc/73/03/31/414730331.db2.gz WKEIFZQAGMUBOD-SMDDNHRTSA-N 2 2 280.372 0.901 20 0 CCADLP CCO[C@H]1C[C@@]([NH3+])(C(=O)N(C)Cc2c[nH]c[nH+]2)C1(C)C ZINC000662586583 414730332 /nfs/dbraw/zinc/73/03/32/414730332.db2.gz WKEIFZQAGMUBOD-SMDDNHRTSA-N 2 2 280.372 0.901 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662586188 414730574 /nfs/dbraw/zinc/73/05/74/414730574.db2.gz GTMVHRUXZYGPJL-LSDHHAIUSA-N 3 2 296.459 0.504 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000662629127 414734397 /nfs/dbraw/zinc/73/43/97/414734397.db2.gz BSBOXZRYUXTRDV-UPJWGTAASA-N 2 2 271.405 0.585 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000662629127 414734398 /nfs/dbraw/zinc/73/43/98/414734398.db2.gz BSBOXZRYUXTRDV-UPJWGTAASA-N 2 2 271.405 0.585 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000662634309 414735693 /nfs/dbraw/zinc/73/56/93/414735693.db2.gz RBIWRHPCSRYVLI-XQHKEYJVSA-N 2 2 269.389 0.339 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000662634309 414735694 /nfs/dbraw/zinc/73/56/94/414735694.db2.gz RBIWRHPCSRYVLI-XQHKEYJVSA-N 2 2 269.389 0.339 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000662634022 414735797 /nfs/dbraw/zinc/73/57/97/414735797.db2.gz PUPWFSJSNMQBRE-CYBMUJFWSA-N 3 2 270.421 0.128 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000662634022 414735798 /nfs/dbraw/zinc/73/57/98/414735798.db2.gz PUPWFSJSNMQBRE-CYBMUJFWSA-N 3 2 270.421 0.128 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)CC[NH2+]C2CC2)[C@@H](C)CO1 ZINC000662634399 414735837 /nfs/dbraw/zinc/73/58/37/414735837.db2.gz RPWOQHRZCMBMMW-RYUDHWBXSA-N 2 2 269.389 0.354 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)CC[NH2+]C2CC2)[C@@H](C)CO1 ZINC000662634399 414735838 /nfs/dbraw/zinc/73/58/38/414735838.db2.gz RPWOQHRZCMBMMW-RYUDHWBXSA-N 2 2 269.389 0.354 20 0 CCADLP CC(C)C[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662655473 414737565 /nfs/dbraw/zinc/73/75/65/414737565.db2.gz IHUTULSMABTXQU-CHWSQXEVSA-N 2 2 269.389 0.293 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662655570 414737613 /nfs/dbraw/zinc/73/76/13/414737613.db2.gz JRTJQBARRWMVGF-FRRDWIJNSA-N 2 2 267.373 0.047 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662685719 414740947 /nfs/dbraw/zinc/74/09/47/414740947.db2.gz GXUVHCHSICLTGK-GHMZBOCLSA-N 2 2 250.346 0.776 20 0 CCADLP O=C(C[NH2+]CC1CC1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662703591 414743501 /nfs/dbraw/zinc/74/35/01/414743501.db2.gz MGFPZBRKRRXCGI-UHFFFAOYSA-N 2 2 295.427 0.557 20 0 CCADLP C[C@@H]([NH3+])CC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662703890 414743620 /nfs/dbraw/zinc/74/36/20/414743620.db2.gz PQPNSQPSUHOPNE-GFCCVEGCSA-N 2 2 269.389 0.295 20 0 CCADLP [NH3+]C1(C(=O)NCc2ccc[nH+]c2N2CCCC2)CC1 ZINC000662848970 414840213 /nfs/dbraw/zinc/84/02/13/414840213.db2.gz DDSAPHWAARKRGE-UHFFFAOYSA-N 2 2 260.341 0.789 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1([NH3+])CCCCC1 ZINC000662857492 414849291 /nfs/dbraw/zinc/84/92/91/414849291.db2.gz MULBHVXLLVOKCU-UHFFFAOYSA-N 3 2 284.448 0.648 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1([NH3+])CCCCC1 ZINC000662857492 414849296 /nfs/dbraw/zinc/84/92/96/414849296.db2.gz MULBHVXLLVOKCU-UHFFFAOYSA-N 3 2 284.448 0.648 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@]2(C)CCC[NH2+]C2)[C@H](C)CO1 ZINC000662860201 414850871 /nfs/dbraw/zinc/85/08/71/414850871.db2.gz RGWYYMSKUZUXMT-UMVBOHGHSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@]2(C)CCC[NH2+]C2)[C@H](C)CO1 ZINC000662860201 414850878 /nfs/dbraw/zinc/85/08/78/414850878.db2.gz RGWYYMSKUZUXMT-UMVBOHGHSA-N 2 2 283.416 0.602 20 0 CCADLP O=C([C@@H]1CCCC[NH2+]1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662870285 414853815 /nfs/dbraw/zinc/85/38/15/414853815.db2.gz CEWQQMXARHJMFJ-OLZOCXBDSA-N 2 2 267.373 0.062 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000662951392 414912259 /nfs/dbraw/zinc/91/22/59/414912259.db2.gz UMOFJXPUBBRBQJ-VHSXEESVSA-N 2 2 297.321 0.445 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@H]([NH3+])COC(C)C ZINC000662901889 414882218 /nfs/dbraw/zinc/88/22/18/414882218.db2.gz KMHUJPXOMBSYCS-MNOVXSKESA-N 2 2 268.361 0.833 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)c1[nH+]ccn1C ZINC000662932808 414901879 /nfs/dbraw/zinc/90/18/79/414901879.db2.gz GKLJVECCKTYYFX-MXWKQRLJSA-N 2 2 250.346 0.985 20 0 CCADLP C[C@@H](NC(=O)C[C@H]1CSCC[NH2+]1)c1[nH+]ccn1C ZINC000662934007 414902666 /nfs/dbraw/zinc/90/26/66/414902666.db2.gz LMXYGAXSHOPAFK-ZJUUUORDSA-N 2 2 268.386 0.692 20 0 CCADLP C[C@H](NC(=O)[C@H]1C[C@H](C)CC[NH2+]1)c1[nH+]ccn1C ZINC000662932809 414902937 /nfs/dbraw/zinc/90/29/37/414902937.db2.gz GKLJVECCKTYYFX-OUAUKWLOSA-N 2 2 250.346 0.985 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1N(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1(C)C ZINC000663023446 414953458 /nfs/dbraw/zinc/95/34/58/414953458.db2.gz WUWKJCICNWZYES-QCNOEVLYSA-N 2 2 274.368 0.795 20 0 CCADLP O=C1NCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000663337790 415046506 /nfs/dbraw/zinc/04/65/06/415046506.db2.gz ZNZSUGHDFHTLLU-AWEZNQCLSA-N 2 2 274.368 0.524 20 0 CCADLP CC[NH+]1CCN(CCNc2nc[nH+]c(N)c2Cl)CC1 ZINC000663398254 415057134 /nfs/dbraw/zinc/05/71/34/415057134.db2.gz NKYVHWZNBXMVFP-UHFFFAOYSA-N 2 2 284.795 0.762 20 0 CCADLP CCN(C(=O)N[C@H](C)C[NH+]1CCOCC1)[C@H]1CC[N@@H+](C)C1 ZINC000663637912 415101089 /nfs/dbraw/zinc/10/10/89/415101089.db2.gz FOSWWIXBQNMCTQ-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP O=C(NCCn1cc[nH+]c1)NC1CC[NH+](C2CC2)CC1 ZINC000043310522 175004082 /nfs/dbraw/zinc/00/40/82/175004082.db2.gz YPAOCWYZILDGAF-UHFFFAOYSA-N 2 2 277.372 0.809 20 0 CCADLP COC(C)(C)CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664234055 415287754 /nfs/dbraw/zinc/28/77/54/415287754.db2.gz PZVXXVPYUKLRSU-UHFFFAOYSA-N 2 2 288.436 0.594 20 0 CCADLP COC(C)(C)CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664234055 415287761 /nfs/dbraw/zinc/28/77/61/415287761.db2.gz PZVXXVPYUKLRSU-UHFFFAOYSA-N 2 2 288.436 0.594 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1cc[nH+]cc1C(N)=O ZINC000664245180 415298663 /nfs/dbraw/zinc/29/86/63/415298663.db2.gz VCLKEXDAQUEHMQ-MNOVXSKESA-N 2 2 278.356 0.124 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1cc[nH+]cc1C(N)=O ZINC000664245180 415298669 /nfs/dbraw/zinc/29/86/69/415298669.db2.gz VCLKEXDAQUEHMQ-MNOVXSKESA-N 2 2 278.356 0.124 20 0 CCADLP COc1c(N)[nH+]cnc1N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000664657610 415444890 /nfs/dbraw/zinc/44/48/90/415444890.db2.gz PFOYLGYZUNAFPU-LLVKDONJSA-N 2 2 295.387 0.614 20 0 CCADLP COc1c(N)nc[nH+]c1N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000664657610 415444895 /nfs/dbraw/zinc/44/48/95/415444895.db2.gz PFOYLGYZUNAFPU-LLVKDONJSA-N 2 2 295.387 0.614 20 0 CCADLP C[C@@H](CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)[NH+](C)C ZINC000665043471 415516882 /nfs/dbraw/zinc/51/68/82/415516882.db2.gz IFVNNMDQTXKIHZ-ZDUSSCGKSA-N 3 2 287.452 0.119 20 0 CCADLP C[C@@H](CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)[NH+](C)C ZINC000665043471 415516888 /nfs/dbraw/zinc/51/68/88/415516888.db2.gz IFVNNMDQTXKIHZ-ZDUSSCGKSA-N 3 2 287.452 0.119 20 0 CCADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000665244721 415576739 /nfs/dbraw/zinc/57/67/39/415576739.db2.gz UYFOLZGWBZJILU-PWSUYJOCSA-N 2 2 283.397 0.607 20 0 CCADLP C[C@@H]([NH2+]Cc1nc(C(N)=O)cs1)[C@H]1CCC[NH2+]C1 ZINC000665273156 415582475 /nfs/dbraw/zinc/58/24/75/415582475.db2.gz QTFIIDPSQNDHRG-BDAKNGLRSA-N 2 2 268.386 0.720 20 0 CCADLP CCS(=O)(=O)C1(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000665276077 415586393 /nfs/dbraw/zinc/58/63/93/415586393.db2.gz XZVJHJPXVVKFLN-MNOVXSKESA-N 2 2 260.403 0.684 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C3CCC3)C2)CC1 ZINC000665286814 415586856 /nfs/dbraw/zinc/58/68/56/415586856.db2.gz UYGGHQNLSCWDTF-CQSZACIVSA-N 2 2 265.401 0.882 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C3CCC3)C2)CC1 ZINC000665286814 415586864 /nfs/dbraw/zinc/58/68/64/415586864.db2.gz UYGGHQNLSCWDTF-CQSZACIVSA-N 2 2 265.401 0.882 20 0 CCADLP CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665277987 415587633 /nfs/dbraw/zinc/58/76/33/415587633.db2.gz ROUBNHKDTKSNSK-CMOBGSAGSA-N 2 2 272.414 0.684 20 0 CCADLP CC(C)(O)C[NH+]1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000070942774 176015908 /nfs/dbraw/zinc/01/59/08/176015908.db2.gz MWKFNLDUEJVDDF-UHFFFAOYSA-N 2 2 280.372 0.188 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NCc2ccccc2F)C1 ZINC000071147012 176043115 /nfs/dbraw/zinc/04/31/15/176043115.db2.gz OLEPNJLZRYQUJJ-GFCCVEGCSA-N 2 2 279.359 0.983 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2F)C1 ZINC000071147012 176043116 /nfs/dbraw/zinc/04/31/16/176043116.db2.gz OLEPNJLZRYQUJJ-GFCCVEGCSA-N 2 2 279.359 0.983 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N2CCC(C)CC2)C1 ZINC000071147230 176043665 /nfs/dbraw/zinc/04/36/65/176043665.db2.gz BQOQVIFEACWRFV-CYBMUJFWSA-N 2 2 253.390 0.786 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N2CCC(C)CC2)C1 ZINC000071147230 176043667 /nfs/dbraw/zinc/04/36/67/176043667.db2.gz BQOQVIFEACWRFV-CYBMUJFWSA-N 2 2 253.390 0.786 20 0 CCADLP COC[C@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000071264078 176097536 /nfs/dbraw/zinc/09/75/36/176097536.db2.gz HBYQPPCALYLFEG-CQSZACIVSA-N 2 2 261.325 0.969 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000071276050 176106564 /nfs/dbraw/zinc/10/65/64/176106564.db2.gz MGJGMTFXSDUNFT-LBPRGKRZSA-N 2 2 258.325 0.606 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CC(C2CCOCC2)C1)C1CC1 ZINC000685910805 545867254 /nfs/dbraw/zinc/86/72/54/545867254.db2.gz VKOKXNRPVGMYAT-HNNXBMFYSA-N 2 2 268.401 0.800 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CC(C2CCOCC2)C1)C1CC1 ZINC000685910805 545867257 /nfs/dbraw/zinc/86/72/57/545867257.db2.gz VKOKXNRPVGMYAT-HNNXBMFYSA-N 2 2 268.401 0.800 20 0 CCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C[NH2+]CC2CC2)CC1 ZINC000423780836 533682742 /nfs/dbraw/zinc/68/27/42/533682742.db2.gz GXSBOJXYLXRSRA-LBPRGKRZSA-N 2 2 297.399 0.082 20 0 CCADLP C[C@@H]1CN(Cc2c[nH+]cn2C)[C@@H](C)C[N@@H+]1CCO ZINC000418106728 228117751 /nfs/dbraw/zinc/11/77/51/228117751.db2.gz CLONYNDLWGLTMB-NEPJUHHUSA-N 2 2 252.362 0.307 20 0 CCADLP C[C@@H]1CN(Cc2c[nH+]cn2C)[C@@H](C)C[N@H+]1CCO ZINC000418106728 228117754 /nfs/dbraw/zinc/11/77/54/228117754.db2.gz CLONYNDLWGLTMB-NEPJUHHUSA-N 2 2 252.362 0.307 20 0 CCADLP COc1cccc(N2CC[NH+](C[C@@H]3C[NH2+]CCO3)CC2)c1 ZINC000034666997 544419925 /nfs/dbraw/zinc/41/99/25/544419925.db2.gz ZGWNLLUCRRHXSM-INIZCTEOSA-N 2 2 291.395 0.806 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000070174691 544450388 /nfs/dbraw/zinc/45/03/88/544450388.db2.gz RONCFKOHCRIETN-AVGNSLFASA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000070174691 544450393 /nfs/dbraw/zinc/45/03/93/544450393.db2.gz RONCFKOHCRIETN-AVGNSLFASA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000333631203 228207397 /nfs/dbraw/zinc/20/73/97/228207397.db2.gz AWQJIAYBUARLMV-KGLIPLIRSA-N 2 2 283.416 0.683 20 0 CCADLP C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000333631203 228207398 /nfs/dbraw/zinc/20/73/98/228207398.db2.gz AWQJIAYBUARLMV-KGLIPLIRSA-N 2 2 283.416 0.683 20 0 CCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)Cn1cc[nH+]c1 ZINC000081255778 544481115 /nfs/dbraw/zinc/48/11/15/544481115.db2.gz HYJPUUVKJTZHME-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP Cc1noc(C)c1[C@@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000092339396 544533114 /nfs/dbraw/zinc/53/31/14/544533114.db2.gz SCQVCRGFQJIVRL-SNVBAGLBSA-N 2 2 280.372 0.716 20 0 CCADLP C[N@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H]1CCS(=O)(=O)C1 ZINC000123908511 544586056 /nfs/dbraw/zinc/58/60/56/544586056.db2.gz FOLBUBPKEVRPMI-CQSZACIVSA-N 2 2 294.420 0.951 20 0 CCADLP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H]1CCS(=O)(=O)C1 ZINC000123908511 544586060 /nfs/dbraw/zinc/58/60/60/544586060.db2.gz FOLBUBPKEVRPMI-CQSZACIVSA-N 2 2 294.420 0.951 20 0 CCADLP C[NH2+]CC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000166003698 544722638 /nfs/dbraw/zinc/72/26/38/544722638.db2.gz BBQCJIKONYZDRD-UHFFFAOYSA-N 2 2 258.325 0.982 20 0 CCADLP C[NH+](C)CCn1cc(NC(=O)[C@H]2CSC[NH2+]2)cn1 ZINC000166604987 544725773 /nfs/dbraw/zinc/72/57/73/544725773.db2.gz TZSKZCZQBSVCCA-SNVBAGLBSA-N 2 2 269.374 0.046 20 0 CCADLP C[N@H+]([C@@H]1CCNC1=O)C1CC[NH+](CCn2cccn2)CC1 ZINC000178199425 544745061 /nfs/dbraw/zinc/74/50/61/544745061.db2.gz OVYDBGZIBJCLGV-CQSZACIVSA-N 2 2 291.399 0.168 20 0 CCADLP C[N@@H+]([C@@H]1CCNC1=O)C1CC[NH+](CCn2cccn2)CC1 ZINC000178199425 544745067 /nfs/dbraw/zinc/74/50/67/544745067.db2.gz OVYDBGZIBJCLGV-CQSZACIVSA-N 2 2 291.399 0.168 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000220512220 544816109 /nfs/dbraw/zinc/81/61/09/544816109.db2.gz SDUCZYSKOUPLCB-LLVKDONJSA-N 2 2 273.340 0.836 20 0 CCADLP Cc1cnn(CC[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)c1 ZINC000235136379 293001945 /nfs/dbraw/zinc/00/19/45/293001945.db2.gz JTFVRPPDQHHCBS-STQMWFEESA-N 2 2 252.362 0.548 20 0 CCADLP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261630879 287616006 /nfs/dbraw/zinc/61/60/06/287616006.db2.gz BGSANCWEQMOSJM-IHRRRGAJSA-N 2 2 282.432 0.269 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CC2([NH3+])CCC2)CC1 ZINC000237082568 544891110 /nfs/dbraw/zinc/89/11/10/544891110.db2.gz POFJRHBRJHBDAI-UHFFFAOYSA-N 3 2 282.432 0.400 20 0 CCADLP O=C(C[NH2+]C1CC1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000237875415 544900134 /nfs/dbraw/zinc/90/01/34/544900134.db2.gz FDSLLTJAWOEOES-GFCCVEGCSA-N 2 2 260.341 0.529 20 0 CCADLP CNC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000252952283 544932384 /nfs/dbraw/zinc/93/23/84/544932384.db2.gz FQRFDRZZVGVZOK-AVGNSLFASA-N 2 2 271.405 0.504 20 0 CCADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@H+](C)C1CC1 ZINC000276639370 544955628 /nfs/dbraw/zinc/95/56/28/544955628.db2.gz UUULRPPEQGDFPS-SNVBAGLBSA-N 2 2 250.346 0.941 20 0 CCADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@@H+](C)C1CC1 ZINC000276639370 544955636 /nfs/dbraw/zinc/95/56/36/544955636.db2.gz UUULRPPEQGDFPS-SNVBAGLBSA-N 2 2 250.346 0.941 20 0 CCADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@H+](C)C1CC1 ZINC000276639370 544955640 /nfs/dbraw/zinc/95/56/40/544955640.db2.gz UUULRPPEQGDFPS-SNVBAGLBSA-N 2 2 250.346 0.941 20 0 CCADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@@H+](C)C1CC1 ZINC000276639370 544955643 /nfs/dbraw/zinc/95/56/43/544955643.db2.gz UUULRPPEQGDFPS-SNVBAGLBSA-N 2 2 250.346 0.941 20 0 CCADLP COCC[N@H+](C)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC000280412020 544958922 /nfs/dbraw/zinc/95/89/22/544958922.db2.gz YPNTWHHHGAWSIY-UHFFFAOYSA-N 2 2 254.334 0.037 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)CCc1c[nH+]c[nH]1 ZINC000280412020 544958926 /nfs/dbraw/zinc/95/89/26/544958926.db2.gz YPNTWHHHGAWSIY-UHFFFAOYSA-N 2 2 254.334 0.037 20 0 CCADLP COCC[N@H+](C)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC000280412020 544958929 /nfs/dbraw/zinc/95/89/29/544958929.db2.gz YPNTWHHHGAWSIY-UHFFFAOYSA-N 2 2 254.334 0.037 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)CCc1c[nH]c[nH+]1 ZINC000280412020 544958931 /nfs/dbraw/zinc/95/89/31/544958931.db2.gz YPNTWHHHGAWSIY-UHFFFAOYSA-N 2 2 254.334 0.037 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCCCC[NH+]1CCOCC1 ZINC000352170887 545069490 /nfs/dbraw/zinc/06/94/90/545069490.db2.gz NZJYDDGEDABJJL-UHFFFAOYSA-N 2 2 280.372 0.571 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCCCC[NH+]1CCOCC1 ZINC000352170887 545069492 /nfs/dbraw/zinc/06/94/92/545069492.db2.gz NZJYDDGEDABJJL-UHFFFAOYSA-N 2 2 280.372 0.571 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCCCC[N@H+]1CCC[C@H]1CO ZINC000355269961 545074924 /nfs/dbraw/zinc/07/49/24/545074924.db2.gz VIDXOOAWYGNHAP-AWEZNQCLSA-N 2 2 294.399 0.695 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000355269961 545074926 /nfs/dbraw/zinc/07/49/26/545074926.db2.gz VIDXOOAWYGNHAP-AWEZNQCLSA-N 2 2 294.399 0.695 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCCCC[N@H+]1CCC[C@H]1CO ZINC000355269961 545074928 /nfs/dbraw/zinc/07/49/28/545074928.db2.gz VIDXOOAWYGNHAP-AWEZNQCLSA-N 2 2 294.399 0.695 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000355269961 545074930 /nfs/dbraw/zinc/07/49/30/545074930.db2.gz VIDXOOAWYGNHAP-AWEZNQCLSA-N 2 2 294.399 0.695 20 0 CCADLP C[C@H](CC[N@@H+]1CC[C@](F)(CO)C1)[NH+]1CC[C@](F)(CO)C1 ZINC000338590153 545052752 /nfs/dbraw/zinc/05/27/52/545052752.db2.gz CVQYJRMQDQRAMF-MGPQQGTHSA-N 2 2 292.370 0.578 20 0 CCADLP C[C@H](CC[N@H+]1CC[C@](F)(CO)C1)[NH+]1CC[C@](F)(CO)C1 ZINC000338590153 545052754 /nfs/dbraw/zinc/05/27/54/545052754.db2.gz CVQYJRMQDQRAMF-MGPQQGTHSA-N 2 2 292.370 0.578 20 0 CCADLP C[C@H](CC[NH+]1CC[C@](F)(CO)C1)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338590153 545052755 /nfs/dbraw/zinc/05/27/55/545052755.db2.gz CVQYJRMQDQRAMF-MGPQQGTHSA-N 2 2 292.370 0.578 20 0 CCADLP C[C@H](CC[NH+]1CC[C@](F)(CO)C1)[N@H+]1CC[C@](F)(CO)C1 ZINC000338590153 545052757 /nfs/dbraw/zinc/05/27/57/545052757.db2.gz CVQYJRMQDQRAMF-MGPQQGTHSA-N 2 2 292.370 0.578 20 0 CCADLP CC(=O)NC[C@@H]1C[N@H+](CCCCn2cc[nH+]c2C)CCO1 ZINC000179442023 260049338 /nfs/dbraw/zinc/04/93/38/260049338.db2.gz LNZMIUFIJCZBNG-OAHLLOKOSA-N 2 2 294.399 0.809 20 0 CCADLP CC1CC([NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000184408422 263036694 /nfs/dbraw/zinc/03/66/94/263036694.db2.gz HDKSRDKJVPEICA-RUXDESIVSA-N 2 2 281.400 0.308 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000518995760 265285214 /nfs/dbraw/zinc/28/52/14/265285214.db2.gz IFNIZHFISWATOR-NWDGAFQWSA-N 2 2 298.349 0.934 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000518995760 265285216 /nfs/dbraw/zinc/28/52/16/265285216.db2.gz IFNIZHFISWATOR-NWDGAFQWSA-N 2 2 298.349 0.934 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)NCC1CCC1 ZINC000357080614 266242617 /nfs/dbraw/zinc/24/26/17/266242617.db2.gz FIRPWPNXQKMABK-CHWSQXEVSA-N 2 2 251.374 0.444 20 0 CCADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)NCC1CCC1 ZINC000357080614 266242621 /nfs/dbraw/zinc/24/26/21/266242621.db2.gz FIRPWPNXQKMABK-CHWSQXEVSA-N 2 2 251.374 0.444 20 0 CCADLP CCC[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976843 276285242 /nfs/dbraw/zinc/28/52/42/276285242.db2.gz GXGQFLZDKKTNLK-NEPJUHHUSA-N 2 2 255.362 0.047 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)N2CCC2)C1 ZINC000362384944 276334437 /nfs/dbraw/zinc/33/44/37/276334437.db2.gz OOHXXNRJZZTWGC-CYBMUJFWSA-N 2 2 253.390 0.882 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC000362384944 276334439 /nfs/dbraw/zinc/33/44/39/276334439.db2.gz OOHXXNRJZZTWGC-CYBMUJFWSA-N 2 2 253.390 0.882 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN2CCOC[C@@H]2C1 ZINC000348778408 277078319 /nfs/dbraw/zinc/07/83/19/277078319.db2.gz XREDFUONBSRJHJ-KBPBESRZSA-N 2 2 253.390 0.487 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN2CCOC[C@@H]2C1 ZINC000348778408 277078320 /nfs/dbraw/zinc/07/83/20/277078320.db2.gz XREDFUONBSRJHJ-KBPBESRZSA-N 2 2 253.390 0.487 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000348778408 277078321 /nfs/dbraw/zinc/07/83/21/277078321.db2.gz XREDFUONBSRJHJ-KBPBESRZSA-N 2 2 253.390 0.487 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000348778408 277078323 /nfs/dbraw/zinc/07/83/23/277078323.db2.gz XREDFUONBSRJHJ-KBPBESRZSA-N 2 2 253.390 0.487 20 0 CCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)[C@H]2C1 ZINC000352808319 277143264 /nfs/dbraw/zinc/14/32/64/277143264.db2.gz ZUYQXOBGBMHGMB-RDBSUJKOSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)[C@H]2C1 ZINC000352808319 277143265 /nfs/dbraw/zinc/14/32/65/277143265.db2.gz ZUYQXOBGBMHGMB-RDBSUJKOSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@@H+]1CCc2ncnc(N3CCCC[C@@H]3C[NH3+])c2C1 ZINC000515525642 277189235 /nfs/dbraw/zinc/18/92/35/277189235.db2.gz VJHFQSSKLBBUHN-LLVKDONJSA-N 2 2 261.373 0.782 20 0 CCADLP C[N@H+]1CCc2ncnc(N3CCCC[C@@H]3C[NH3+])c2C1 ZINC000515525642 277189237 /nfs/dbraw/zinc/18/92/37/277189237.db2.gz VJHFQSSKLBBUHN-LLVKDONJSA-N 2 2 261.373 0.782 20 0 CCADLP CC(C)(C)c1n[nH]cc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000517041224 277273869 /nfs/dbraw/zinc/27/38/69/277273869.db2.gz KDYSJKCMFKZPQD-NEPJUHHUSA-N 2 2 291.399 0.451 20 0 CCADLP CC(C)(C)c1n[nH]cc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000517041224 277273870 /nfs/dbraw/zinc/27/38/70/277273870.db2.gz KDYSJKCMFKZPQD-NEPJUHHUSA-N 2 2 291.399 0.451 20 0 CCADLP COC(=O)[C@@H](C)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355035757 277338579 /nfs/dbraw/zinc/33/85/79/277338579.db2.gz VDEHMHSLLZWWAI-QWHCGFSZSA-N 2 2 283.416 0.648 20 0 CCADLP COC(=O)[C@@H](C)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355035757 277338580 /nfs/dbraw/zinc/33/85/80/277338580.db2.gz VDEHMHSLLZWWAI-QWHCGFSZSA-N 2 2 283.416 0.648 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000414683453 277443172 /nfs/dbraw/zinc/44/31/72/277443172.db2.gz TWBQUEPCQYWZQK-OAHLLOKOSA-N 2 2 297.443 0.931 20 0 CCADLP COc1ccccc1[C@@H]([NH3+])C(=O)N1CCn2cc[nH+]c2C1 ZINC000430910638 277471074 /nfs/dbraw/zinc/47/10/74/277471074.db2.gz WHNJBVQJRALIKC-CQSZACIVSA-N 2 2 286.335 0.934 20 0 CCADLP CC(=O)NC1CCC([NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000334392351 278089234 /nfs/dbraw/zinc/08/92/34/278089234.db2.gz XMETWTSCTYPKMT-KWCMIHLGSA-N 2 2 253.390 0.973 20 0 CCADLP CC(=O)NC1CCC([NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000334392351 278089236 /nfs/dbraw/zinc/08/92/36/278089236.db2.gz XMETWTSCTYPKMT-KWCMIHLGSA-N 2 2 253.390 0.973 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000357781132 278150202 /nfs/dbraw/zinc/15/02/02/278150202.db2.gz ODGUWRPHDJTLKD-CHWSQXEVSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000357781132 278150203 /nfs/dbraw/zinc/15/02/03/278150203.db2.gz ODGUWRPHDJTLKD-CHWSQXEVSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@H](CNC(=O)[C@@H]([NH3+])c1ccccc1)C[NH+]1CCOCC1 ZINC000237430337 278204884 /nfs/dbraw/zinc/20/48/84/278204884.db2.gz KEMKUDGZHJFPEE-HIFRSBDPSA-N 2 2 291.395 0.771 20 0 CCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000336308189 288068833 /nfs/dbraw/zinc/06/88/33/288068833.db2.gz LMQSHRKSVIAWTL-YPMHNXCESA-N 2 2 251.374 0.776 20 0 CCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000336308189 288068834 /nfs/dbraw/zinc/06/88/34/288068834.db2.gz LMQSHRKSVIAWTL-YPMHNXCESA-N 2 2 251.374 0.776 20 0 CCADLP C[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000336308189 288068835 /nfs/dbraw/zinc/06/88/35/288068835.db2.gz LMQSHRKSVIAWTL-YPMHNXCESA-N 2 2 251.374 0.776 20 0 CCADLP C[C@@H]1C[NH+](C)CCN1C(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000336308189 288068836 /nfs/dbraw/zinc/06/88/36/288068836.db2.gz LMQSHRKSVIAWTL-YPMHNXCESA-N 2 2 251.374 0.776 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000347792142 288090527 /nfs/dbraw/zinc/09/05/27/288090527.db2.gz BUORKSYSIPCVRN-HIFRSBDPSA-N 3 2 268.449 0.552 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000347792142 288090528 /nfs/dbraw/zinc/09/05/28/288090528.db2.gz BUORKSYSIPCVRN-HIFRSBDPSA-N 3 2 268.449 0.552 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCC[NH+]1CCC[C@H]1CO ZINC000344388515 288090738 /nfs/dbraw/zinc/09/07/38/288090738.db2.gz UJYTZVLANYXJKA-ILXRZTDVSA-N 3 2 269.433 0.763 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCC[NH+]1CCC[C@H]1CO ZINC000344388515 288090741 /nfs/dbraw/zinc/09/07/41/288090741.db2.gz UJYTZVLANYXJKA-ILXRZTDVSA-N 3 2 269.433 0.763 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000344388515 288090742 /nfs/dbraw/zinc/09/07/42/288090742.db2.gz UJYTZVLANYXJKA-ILXRZTDVSA-N 3 2 269.433 0.763 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000344388515 288090745 /nfs/dbraw/zinc/09/07/45/288090745.db2.gz UJYTZVLANYXJKA-ILXRZTDVSA-N 3 2 269.433 0.763 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCN1CCC[NH+](C)CC1 ZINC000361173552 288090836 /nfs/dbraw/zinc/09/08/36/288090836.db2.gz JAMYWPPRADOYRK-CABCVRRESA-N 3 2 268.449 0.554 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCN1CCC[NH+](C)CC1 ZINC000361173552 288090839 /nfs/dbraw/zinc/09/08/39/288090839.db2.gz JAMYWPPRADOYRK-CABCVRRESA-N 3 2 268.449 0.554 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000361173552 288090841 /nfs/dbraw/zinc/09/08/41/288090841.db2.gz JAMYWPPRADOYRK-CABCVRRESA-N 3 2 268.449 0.554 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000361173552 288090843 /nfs/dbraw/zinc/09/08/43/288090843.db2.gz JAMYWPPRADOYRK-CABCVRRESA-N 3 2 268.449 0.554 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCSC[C@@H]1CCO ZINC000516191129 279033831 /nfs/dbraw/zinc/03/38/31/279033831.db2.gz GJOULAMFIOCWOJ-NWDGAFQWSA-N 2 2 262.419 0.099 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCSC[C@@H]1CCO ZINC000516191129 279033832 /nfs/dbraw/zinc/03/38/32/279033832.db2.gz GJOULAMFIOCWOJ-NWDGAFQWSA-N 2 2 262.419 0.099 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCSC[C@@H]1CCO ZINC000516191129 279033833 /nfs/dbraw/zinc/03/38/33/279033833.db2.gz GJOULAMFIOCWOJ-NWDGAFQWSA-N 2 2 262.419 0.099 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCSC[C@@H]1CCO ZINC000516191129 279033834 /nfs/dbraw/zinc/03/38/34/279033834.db2.gz GJOULAMFIOCWOJ-NWDGAFQWSA-N 2 2 262.419 0.099 20 0 CCADLP CC(C)C[C@H](C)N(C)C(=O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000420348794 279098018 /nfs/dbraw/zinc/09/80/18/279098018.db2.gz AZRVUUVUPAWWRS-NWDGAFQWSA-N 2 2 259.394 0.131 20 0 CCADLP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420348794 279098019 /nfs/dbraw/zinc/09/80/19/279098019.db2.gz AZRVUUVUPAWWRS-NWDGAFQWSA-N 2 2 259.394 0.131 20 0 CCADLP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000330693734 279111780 /nfs/dbraw/zinc/11/17/80/279111780.db2.gz ARISRQRBRXLOEA-VXGBXAGGSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000330693734 279111783 /nfs/dbraw/zinc/11/17/83/279111783.db2.gz ARISRQRBRXLOEA-VXGBXAGGSA-N 2 2 280.372 0.256 20 0 CCADLP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)C1 ZINC000437192730 279167928 /nfs/dbraw/zinc/16/79/28/279167928.db2.gz FHFHFSDFPONMCW-CABCVRRESA-N 2 2 296.459 0.565 20 0 CCADLP CC[N@H+](CCNC(=O)C1([NH+]2CCOCC2)CCC1)C1CC1 ZINC000367523279 279191667 /nfs/dbraw/zinc/19/16/67/279191667.db2.gz AFMLUWWRLVOCFE-UHFFFAOYSA-N 2 2 295.427 0.842 20 0 CCADLP CC[N@@H+](CCNC(=O)C1([NH+]2CCOCC2)CCC1)C1CC1 ZINC000367523279 279191668 /nfs/dbraw/zinc/19/16/68/279191668.db2.gz AFMLUWWRLVOCFE-UHFFFAOYSA-N 2 2 295.427 0.842 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](C[NH2+]C)C2)CC1 ZINC000430612802 279259453 /nfs/dbraw/zinc/25/94/53/279259453.db2.gz SVDMEOBAVRYDDY-CQSZACIVSA-N 3 2 296.459 0.518 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](C[NH2+]C)C2)CC1 ZINC000430612802 279259454 /nfs/dbraw/zinc/25/94/54/279259454.db2.gz SVDMEOBAVRYDDY-CQSZACIVSA-N 3 2 296.459 0.518 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000344220766 279313345 /nfs/dbraw/zinc/31/33/45/279313345.db2.gz WPHMCVYOSABNHQ-MCIONIFRSA-N 3 2 254.422 0.162 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000344220766 279313346 /nfs/dbraw/zinc/31/33/46/279313346.db2.gz WPHMCVYOSABNHQ-MCIONIFRSA-N 3 2 254.422 0.162 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)[C@H](C)N1CCOCC1 ZINC000422743895 279369584 /nfs/dbraw/zinc/36/95/84/279369584.db2.gz SCPJGWCEBKPZBS-APIJFGDWSA-N 2 2 285.432 0.452 20 0 CCADLP CC(C)[C@H](C(=O)N1CC[N@H+](CCO)[C@H](C)C1)[NH+](C)C ZINC000428533712 280151043 /nfs/dbraw/zinc/15/10/43/280151043.db2.gz NPGBGGNBUNCYHS-CHWSQXEVSA-N 2 2 271.405 0.098 20 0 CCADLP CC(C)[C@H](C(=O)N1CC[N@@H+](CCO)[C@H](C)C1)[NH+](C)C ZINC000428533712 280151046 /nfs/dbraw/zinc/15/10/46/280151046.db2.gz NPGBGGNBUNCYHS-CHWSQXEVSA-N 2 2 271.405 0.098 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000433163291 280234936 /nfs/dbraw/zinc/23/49/36/280234936.db2.gz XLIOLRXUIABVNE-CABCVRRESA-N 2 2 297.443 0.931 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1 ZINC000423866152 280760020 /nfs/dbraw/zinc/76/00/20/280760020.db2.gz LCOYEDPMOGTIJC-RWMBFGLXSA-N 2 2 293.415 0.609 20 0 CCADLP C[C@@H]1COC(C)(C)C[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351628488 288329741 /nfs/dbraw/zinc/32/97/41/288329741.db2.gz JWQQQQCMTMTJPP-DGCLKSJQSA-N 2 2 256.390 0.941 20 0 CCADLP C[C@@H]1COC(C)(C)C[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351628488 288329743 /nfs/dbraw/zinc/32/97/43/288329743.db2.gz JWQQQQCMTMTJPP-DGCLKSJQSA-N 2 2 256.390 0.941 20 0 CCADLP C[C@@H]1COC(C)(C)C[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000351628488 288329744 /nfs/dbraw/zinc/32/97/44/288329744.db2.gz JWQQQQCMTMTJPP-DGCLKSJQSA-N 2 2 256.390 0.941 20 0 CCADLP C[C@@H]1COC(C)(C)C[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351628488 288329745 /nfs/dbraw/zinc/32/97/45/288329745.db2.gz JWQQQQCMTMTJPP-DGCLKSJQSA-N 2 2 256.390 0.941 20 0 CCADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000347025688 282012132 /nfs/dbraw/zinc/01/21/32/282012132.db2.gz NWRNZZOOMXYZDN-OLZOCXBDSA-N 2 2 285.432 0.990 20 0 CCADLP C[NH+](C)CC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000176080275 282055591 /nfs/dbraw/zinc/05/55/91/282055591.db2.gz GQZNYWVSGXJRNR-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353499824 289208934 /nfs/dbraw/zinc/20/89/34/289208934.db2.gz DJOBMBIPGMCDAB-AAVRWANBSA-N 3 2 255.406 0.371 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353499824 289208937 /nfs/dbraw/zinc/20/89/37/289208937.db2.gz DJOBMBIPGMCDAB-AAVRWANBSA-N 3 2 255.406 0.371 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333674436 289332262 /nfs/dbraw/zinc/33/22/62/289332262.db2.gz NSFRAGWHBQDGGK-ABAIWWIYSA-N 2 2 294.399 0.439 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333674436 289332265 /nfs/dbraw/zinc/33/22/65/289332265.db2.gz NSFRAGWHBQDGGK-ABAIWWIYSA-N 2 2 294.399 0.439 20 0 CCADLP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H](O)C(F)(F)F)C2)C1 ZINC000335570426 290188698 /nfs/dbraw/zinc/18/86/98/290188698.db2.gz OXNVBWHWXIRUBX-VHSXEESVSA-N 2 2 252.280 0.937 20 0 CCADLP C[N@H+]1CC[C@@]2(CC[NH+](C[C@H](O)C(F)(F)F)C2)C1 ZINC000335570426 290188699 /nfs/dbraw/zinc/18/86/99/290188699.db2.gz OXNVBWHWXIRUBX-VHSXEESVSA-N 2 2 252.280 0.937 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@H+](C[C@H](O)C(F)(F)F)C2)C1 ZINC000335570426 290188700 /nfs/dbraw/zinc/18/87/00/290188700.db2.gz OXNVBWHWXIRUBX-VHSXEESVSA-N 2 2 252.280 0.937 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@H](O)C(F)(F)F)C2)C1 ZINC000335570426 290188701 /nfs/dbraw/zinc/18/87/01/290188701.db2.gz OXNVBWHWXIRUBX-VHSXEESVSA-N 2 2 252.280 0.937 20 0 CCADLP Cc1nccnc1N1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262078382 293658454 /nfs/dbraw/zinc/65/84/54/293658454.db2.gz SVOYDDXWWTXXPP-OAHLLOKOSA-N 2 2 275.400 0.907 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@@H]1CCCO1 ZINC000386429852 336173741 /nfs/dbraw/zinc/17/37/41/336173741.db2.gz OHWOWFBMHROZRA-OLZOCXBDSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@@H]1CCCO1 ZINC000386429852 336173742 /nfs/dbraw/zinc/17/37/42/336173742.db2.gz OHWOWFBMHROZRA-OLZOCXBDSA-N 2 2 260.378 0.036 20 0 CCADLP C[C@@H]1C[N@@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC[C@H]1[NH3+] ZINC000430956471 297070553 /nfs/dbraw/zinc/07/05/53/297070553.db2.gz OTPGMFLZDFWWKE-MRVWCRGKSA-N 2 2 291.399 0.585 20 0 CCADLP C[C@@H]1C[N@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC[C@H]1[NH3+] ZINC000430956471 297070556 /nfs/dbraw/zinc/07/05/56/297070556.db2.gz OTPGMFLZDFWWKE-MRVWCRGKSA-N 2 2 291.399 0.585 20 0 CCADLP NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000373969647 295074027 /nfs/dbraw/zinc/07/40/27/295074027.db2.gz GQKKAXSGBCJGIU-ZDUSSCGKSA-N 2 2 296.415 0.769 20 0 CCADLP NC(=O)NC(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000373969647 295074030 /nfs/dbraw/zinc/07/40/30/295074030.db2.gz GQKKAXSGBCJGIU-ZDUSSCGKSA-N 2 2 296.415 0.769 20 0 CCADLP NC(=O)NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246864586 295074511 /nfs/dbraw/zinc/07/45/11/295074511.db2.gz PTWMKBDGMYYEHM-ZYHUDNBSSA-N 2 2 280.372 0.130 20 0 CCADLP NC(=O)NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246864586 295074512 /nfs/dbraw/zinc/07/45/12/295074512.db2.gz PTWMKBDGMYYEHM-ZYHUDNBSSA-N 2 2 280.372 0.130 20 0 CCADLP NC(=O)NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246864586 295074513 /nfs/dbraw/zinc/07/45/13/295074513.db2.gz PTWMKBDGMYYEHM-ZYHUDNBSSA-N 2 2 280.372 0.130 20 0 CCADLP NC(=O)NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246864586 295074514 /nfs/dbraw/zinc/07/45/14/295074514.db2.gz PTWMKBDGMYYEHM-ZYHUDNBSSA-N 2 2 280.372 0.130 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCN1CC[C@@H]2OCC[NH+](C)[C@H]2C1 ZINC000342169326 297125678 /nfs/dbraw/zinc/12/56/78/297125678.db2.gz KTCNRXIYBYZKSC-ILXRZTDVSA-N 2 2 283.416 0.112 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCN1CC[C@@H]2OCC[NH+](C)[C@H]2C1 ZINC000342169326 297125681 /nfs/dbraw/zinc/12/56/81/297125681.db2.gz KTCNRXIYBYZKSC-ILXRZTDVSA-N 2 2 283.416 0.112 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000342169326 297125684 /nfs/dbraw/zinc/12/56/84/297125684.db2.gz KTCNRXIYBYZKSC-ILXRZTDVSA-N 2 2 283.416 0.112 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN1CC[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000342169326 297125685 /nfs/dbraw/zinc/12/56/85/297125685.db2.gz KTCNRXIYBYZKSC-ILXRZTDVSA-N 2 2 283.416 0.112 20 0 CCADLP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449397625 297139802 /nfs/dbraw/zinc/13/98/02/297139802.db2.gz QZSYMHSUHHKKOO-RDBSUJKOSA-N 2 2 256.390 0.848 20 0 CCADLP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449397625 297139805 /nfs/dbraw/zinc/13/98/05/297139805.db2.gz QZSYMHSUHHKKOO-RDBSUJKOSA-N 2 2 256.390 0.848 20 0 CCADLP C[C@H]1CN(C(=O)C2(C[NH3+])CCCC2)C[C@H]1[NH+]1CCOCC1 ZINC000178860664 300110614 /nfs/dbraw/zinc/11/06/14/300110614.db2.gz NKSDZZMJNXBVCL-UONOGXRCSA-N 2 2 295.427 0.685 20 0 CCADLP Cn1nnnc1C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000420316780 303110680 /nfs/dbraw/zinc/11/06/80/303110680.db2.gz NRFVMDULRWSIGA-UHFFFAOYSA-N 2 2 252.366 0.551 20 0 CCADLP Cn1nnnc1C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000420316780 303110678 /nfs/dbraw/zinc/11/06/78/303110678.db2.gz NRFVMDULRWSIGA-UHFFFAOYSA-N 2 2 252.366 0.551 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H](C)CCCC[NH3+] ZINC000576941819 327051433 /nfs/dbraw/zinc/05/14/33/327051433.db2.gz LWVYZBWQNLUYSR-GFCCVEGCSA-N 2 2 286.420 0.077 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H](C)CCCC[NH3+] ZINC000576941819 327051434 /nfs/dbraw/zinc/05/14/34/327051434.db2.gz LWVYZBWQNLUYSR-GFCCVEGCSA-N 2 2 286.420 0.077 20 0 CCADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H](C[NH3+])OC ZINC000584230752 327070574 /nfs/dbraw/zinc/07/05/74/327070574.db2.gz WBKQKROHUFSMQM-LBPRGKRZSA-N 2 2 282.388 0.658 20 0 CCADLP Cc1cccnc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000577076831 327076977 /nfs/dbraw/zinc/07/69/77/327076977.db2.gz DNXOWMKSFHQTSU-VXGBXAGGSA-N 2 2 260.341 0.134 20 0 CCADLP Cc1cccnc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000577076831 327076978 /nfs/dbraw/zinc/07/69/78/327076978.db2.gz DNXOWMKSFHQTSU-VXGBXAGGSA-N 2 2 260.341 0.134 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000584286466 327218357 /nfs/dbraw/zinc/21/83/57/327218357.db2.gz QWACRKUXLQKAKT-APIJFGDWSA-N 2 2 296.415 0.331 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](N2CCCC2=O)C1 ZINC000582734491 329133338 /nfs/dbraw/zinc/13/33/38/329133338.db2.gz YYYICPPLIFLCCM-UONOGXRCSA-N 2 2 283.416 0.386 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](N2CCCC2=O)C1 ZINC000582734491 329133339 /nfs/dbraw/zinc/13/33/39/329133339.db2.gz YYYICPPLIFLCCM-UONOGXRCSA-N 2 2 283.416 0.386 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000582734491 329133341 /nfs/dbraw/zinc/13/33/41/329133341.db2.gz YYYICPPLIFLCCM-UONOGXRCSA-N 2 2 283.416 0.386 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000582734491 329133342 /nfs/dbraw/zinc/13/33/42/329133342.db2.gz YYYICPPLIFLCCM-UONOGXRCSA-N 2 2 283.416 0.386 20 0 CCADLP C[C@@H](COc1ccccc1)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000582784392 329189995 /nfs/dbraw/zinc/18/99/95/329189995.db2.gz INOVXGJTQPKATM-UONOGXRCSA-N 2 2 291.395 0.803 20 0 CCADLP C[C@@H](COc1ccccc1)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000582784392 329189997 /nfs/dbraw/zinc/18/99/97/329189997.db2.gz INOVXGJTQPKATM-UONOGXRCSA-N 2 2 291.395 0.803 20 0 CCADLP O=C(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)NC1CCCCC1 ZINC000582912879 329287871 /nfs/dbraw/zinc/28/78/71/329287871.db2.gz LAQRGSVCYNIWQS-UHFFFAOYSA-N 2 2 291.399 0.981 20 0 CCADLP CC1(C)C[NH+](CC(=O)N2CC[NH+]3CCC2CC3)C1 ZINC000582974231 329297236 /nfs/dbraw/zinc/29/72/36/329297236.db2.gz WCQAOHYONZPHFQ-UHFFFAOYSA-N 2 2 251.374 0.635 20 0 CCADLP COC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)[NH2+]C2CC2)C1 ZINC000583141966 329321377 /nfs/dbraw/zinc/32/13/77/329321377.db2.gz VMIQQUDJJKFVDX-RYUDHWBXSA-N 2 2 297.399 0.128 20 0 CCADLP COC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)[NH2+]C2CC2)C1 ZINC000583141966 329321379 /nfs/dbraw/zinc/32/13/79/329321379.db2.gz VMIQQUDJJKFVDX-RYUDHWBXSA-N 2 2 297.399 0.128 20 0 CCADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000580421627 330129026 /nfs/dbraw/zinc/12/90/26/330129026.db2.gz MUXOEBKCOYHNRF-VXGBXAGGSA-N 2 2 274.430 0.931 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCc2c(cnn2C)C1 ZINC000580462255 330142303 /nfs/dbraw/zinc/14/23/03/330142303.db2.gz VCNHFFPTFFSLFE-CYBMUJFWSA-N 2 2 266.389 0.481 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCc2c(cnn2C)C1 ZINC000580462255 330142305 /nfs/dbraw/zinc/14/23/05/330142305.db2.gz VCNHFFPTFFSLFE-CYBMUJFWSA-N 2 2 266.389 0.481 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCc2c(cnn2C)C1 ZINC000580462255 330142307 /nfs/dbraw/zinc/14/23/07/330142307.db2.gz VCNHFFPTFFSLFE-CYBMUJFWSA-N 2 2 266.389 0.481 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCc2c(cnn2C)C1 ZINC000580462255 330142308 /nfs/dbraw/zinc/14/23/08/330142308.db2.gz VCNHFFPTFFSLFE-CYBMUJFWSA-N 2 2 266.389 0.481 20 0 CCADLP C[C@H]1C[N@H+](CCCc2c[nH+]cn2C)CC[S@@]1=O ZINC000575878342 335127321 /nfs/dbraw/zinc/12/73/21/335127321.db2.gz HQUWZRKSSHSWGJ-GTNSWQLSSA-N 2 2 255.387 0.806 20 0 CCADLP C[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)CC[S@@]1=O ZINC000575878342 335127322 /nfs/dbraw/zinc/12/73/22/335127322.db2.gz HQUWZRKSSHSWGJ-GTNSWQLSSA-N 2 2 255.387 0.806 20 0 CCADLP C[C@@H]1C[NH+](CCCNC(=O)CC(F)(F)C[NH3+])C[C@@H](C)O1 ZINC000575931285 335132609 /nfs/dbraw/zinc/13/26/09/335132609.db2.gz NHOSIBKGRSGZKW-GHMZBOCLSA-N 2 2 293.358 0.586 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000565588671 334576559 /nfs/dbraw/zinc/57/65/59/334576559.db2.gz ONINGYYYEOUNIY-LSDHHAIUSA-N 2 2 299.378 0.975 20 0 CCADLP O=C(CCOC1C[NH2+]C1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000565654623 334584306 /nfs/dbraw/zinc/58/43/06/334584306.db2.gz RCEQWMYARODHNI-LBPRGKRZSA-N 2 2 278.356 0.842 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)c1coc(C[NH3+])c1 ZINC000565948088 334610728 /nfs/dbraw/zinc/61/07/28/334610728.db2.gz KLFJIOOCFFCOMC-UHFFFAOYSA-N 2 2 267.329 0.143 20 0 CCADLP CC(C)N1CC[C@@H]([NH+]2CCN(c3[nH]cc[nH+]3)CC2)C1=O ZINC000573184502 334915367 /nfs/dbraw/zinc/91/53/67/334915367.db2.gz GSHJXYPWGDBHDS-GFCCVEGCSA-N 2 2 277.372 0.541 20 0 CCADLP C[C@H]1[C@@H]([NH3+])CCN1c1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000576570389 335219803 /nfs/dbraw/zinc/21/98/03/335219803.db2.gz OVEXLUNHZDRTRI-AVGNSLFASA-N 2 2 291.399 0.754 20 0 CCADLP CCCN(CCC[NH+](C)C)C(=O)[C@@H]1COCC[N@@H+]1CC ZINC000577001897 335276960 /nfs/dbraw/zinc/27/69/60/335276960.db2.gz KZXSCARAGDYPQL-AWEZNQCLSA-N 2 2 285.432 0.897 20 0 CCADLP CCCN(CCC[NH+](C)C)C(=O)[C@@H]1COCC[N@H+]1CC ZINC000577001897 335276962 /nfs/dbraw/zinc/27/69/62/335276962.db2.gz KZXSCARAGDYPQL-AWEZNQCLSA-N 2 2 285.432 0.897 20 0 CCADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2[nH]c[nH+]c2C)C1(C)C ZINC000379979830 335285751 /nfs/dbraw/zinc/28/57/51/335285751.db2.gz WASZOIFBNGEDQR-BXUZGUMPSA-N 2 2 280.372 0.867 20 0 CCADLP CC1(C)C[NH+](CC(=O)N2CC[NH2+][C@H](c3ccncc3)C2)C1 ZINC000577075161 335295935 /nfs/dbraw/zinc/29/59/35/335295935.db2.gz AFXLDRJZKCUPFG-AWEZNQCLSA-N 2 2 288.395 0.896 20 0 CCADLP C(C[NH+]1CCCC1)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000580603187 335297376 /nfs/dbraw/zinc/29/73/76/335297376.db2.gz ZWTARIVWLVFRKS-AWEZNQCLSA-N 2 2 253.390 0.489 20 0 CCADLP C(C[NH+]1CCCC1)C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000580603187 335297378 /nfs/dbraw/zinc/29/73/78/335297378.db2.gz ZWTARIVWLVFRKS-AWEZNQCLSA-N 2 2 253.390 0.489 20 0 CCADLP C(CN1CC[N@@H+]2CCOC[C@@H]2C1)C[NH+]1CCCC1 ZINC000580603187 335297379 /nfs/dbraw/zinc/29/73/79/335297379.db2.gz ZWTARIVWLVFRKS-AWEZNQCLSA-N 2 2 253.390 0.489 20 0 CCADLP C(CN1CC[N@H+]2CCOC[C@@H]2C1)C[NH+]1CCCC1 ZINC000580603187 335297381 /nfs/dbraw/zinc/29/73/81/335297381.db2.gz ZWTARIVWLVFRKS-AWEZNQCLSA-N 2 2 253.390 0.489 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCC(F)(F)F)CCN2C1=O ZINC000577125225 335304952 /nfs/dbraw/zinc/30/49/52/335304952.db2.gz OEKHAFFBOOUQLB-HTQZYQBOSA-N 2 2 251.252 0.183 20 0 CCADLP COC(=O)C[C@H]([NH3+])C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000580644192 335310165 /nfs/dbraw/zinc/31/01/65/335310165.db2.gz OFGXAONYOPBCEV-NSHDSACASA-N 2 2 290.323 0.149 20 0 CCADLP CC[N@H+]1C[C@@H](C)N(C(=O)[C@H](C)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000577295574 335336556 /nfs/dbraw/zinc/33/65/56/335336556.db2.gz SJTBHBMIYVOHNY-ZNMIVQPWSA-N 2 2 296.459 0.563 20 0 CCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)[C@H](C)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000577295574 335336558 /nfs/dbraw/zinc/33/65/58/335336558.db2.gz SJTBHBMIYVOHNY-ZNMIVQPWSA-N 2 2 296.459 0.563 20 0 CCADLP CC(C)[NH2+]CCC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000577390276 335346991 /nfs/dbraw/zinc/34/69/91/335346991.db2.gz AWVZBQFPDMSPJE-UHFFFAOYSA-N 2 2 293.415 0.452 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+](C)CC(=O)NCc1ccccc1 ZINC000577521341 335364109 /nfs/dbraw/zinc/36/41/09/335364109.db2.gz BLSULDGOIQORJS-HNNXBMFYSA-N 2 2 279.384 0.205 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+](C)CC(=O)NCc1ccccc1 ZINC000577521341 335364111 /nfs/dbraw/zinc/36/41/11/335364111.db2.gz BLSULDGOIQORJS-HNNXBMFYSA-N 2 2 279.384 0.205 20 0 CCADLP C[C@H](C[NH2+]Cc1c[nH+]c(N(C)C)n1C)S(C)(=O)=O ZINC000578881413 335683997 /nfs/dbraw/zinc/68/39/97/335683997.db2.gz SAKVBIURXYBRIK-SECBINFHSA-N 2 2 274.390 0.009 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000579588569 335814536 /nfs/dbraw/zinc/81/45/36/335814536.db2.gz BZEFARWIGLODCK-NWDGAFQWSA-N 2 2 279.388 0.048 20 0 CCADLP CCCCCNC(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000579593319 335816292 /nfs/dbraw/zinc/81/62/92/335816292.db2.gz CCAAHUHDUMYNMF-AWEZNQCLSA-N 2 2 282.432 0.272 20 0 CCADLP CC1CC[NH+](CC[NH2+]CC2(O)CCOCC2)CC1 ZINC000581126636 336011578 /nfs/dbraw/zinc/01/15/78/336011578.db2.gz XUGWTNPSPFLUMT-UHFFFAOYSA-N 2 2 256.390 0.849 20 0 CCADLP C[C@H](CNC(=O)[C@@H]([NH3+])c1cscn1)Cn1cc[nH+]c1 ZINC000581133685 336013361 /nfs/dbraw/zinc/01/33/61/336013361.db2.gz HUETXRYVPWHPOD-KOLCDFICSA-N 2 2 279.369 0.792 20 0 CCADLP C[NH2+]CCC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000581309443 336045318 /nfs/dbraw/zinc/04/53/18/336045318.db2.gz UJSBFZWTYGLWRJ-UHFFFAOYSA-N 2 2 263.345 0.043 20 0 CCADLP CC(C)OC[C@@H](O)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000581365986 336061915 /nfs/dbraw/zinc/06/19/15/336061915.db2.gz ZERFKZUZDKDOAX-RYUDHWBXSA-N 2 2 253.346 0.573 20 0 CCADLP C[N@H+](CC(=O)NCc1ccc(F)cc1)C1CC([NH3+])C1 ZINC000384886448 336133459 /nfs/dbraw/zinc/13/34/59/336133459.db2.gz SEKOUXKZBRXVQH-UHFFFAOYSA-N 2 2 265.332 0.863 20 0 CCADLP C[N@@H+](CC(=O)NCc1ccc(F)cc1)C1CC([NH3+])C1 ZINC000384886448 336133460 /nfs/dbraw/zinc/13/34/60/336133460.db2.gz SEKOUXKZBRXVQH-UHFFFAOYSA-N 2 2 265.332 0.863 20 0 CCADLP CCOC(=O)CC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000385482596 336148701 /nfs/dbraw/zinc/14/87/01/336148701.db2.gz ZXJFVGHSKNMZSJ-VXGBXAGGSA-N 2 2 258.362 0.374 20 0 CCADLP CCOC(=O)CC[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000385482596 336148702 /nfs/dbraw/zinc/14/87/02/336148702.db2.gz ZXJFVGHSKNMZSJ-VXGBXAGGSA-N 2 2 258.362 0.374 20 0 CCADLP C[C@@H](O)[C@H]1C[N@H+](CCCc2c[nH+]cn2C)CCO1 ZINC000581832617 336149546 /nfs/dbraw/zinc/14/95/46/336149546.db2.gz NYVDLCWTSXJPPR-DGCLKSJQSA-N 2 2 253.346 0.434 20 0 CCADLP C[C@@H](O)[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)CCO1 ZINC000581832617 336149547 /nfs/dbraw/zinc/14/95/47/336149547.db2.gz NYVDLCWTSXJPPR-DGCLKSJQSA-N 2 2 253.346 0.434 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000581882585 336158767 /nfs/dbraw/zinc/15/87/67/336158767.db2.gz DMYHRYFGZAEIGL-NSHDSACASA-N 2 2 286.401 0.227 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000581882585 336158768 /nfs/dbraw/zinc/15/87/68/336158768.db2.gz DMYHRYFGZAEIGL-NSHDSACASA-N 2 2 286.401 0.227 20 0 CCADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581939631 336173078 /nfs/dbraw/zinc/17/30/78/336173078.db2.gz QTLKPHQPRTXVSR-ITGHMWBKSA-N 2 2 274.405 0.470 20 0 CCADLP CO[C@H](C)[C@@H](C)[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581939631 336173080 /nfs/dbraw/zinc/17/30/80/336173080.db2.gz QTLKPHQPRTXVSR-ITGHMWBKSA-N 2 2 274.405 0.470 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@@H]1CCCO1 ZINC000386429852 336173739 /nfs/dbraw/zinc/17/37/39/336173739.db2.gz OHWOWFBMHROZRA-OLZOCXBDSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@@H]1CCCO1 ZINC000386429852 336173740 /nfs/dbraw/zinc/17/37/40/336173740.db2.gz OHWOWFBMHROZRA-OLZOCXBDSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@H]1CCCO1 ZINC000386429845 336173774 /nfs/dbraw/zinc/17/37/74/336173774.db2.gz OHWOWFBMHROZRA-CHWSQXEVSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@H]1CCCO1 ZINC000386429845 336173775 /nfs/dbraw/zinc/17/37/75/336173775.db2.gz OHWOWFBMHROZRA-CHWSQXEVSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@H]1CCCO1 ZINC000386429845 336173776 /nfs/dbraw/zinc/17/37/76/336173776.db2.gz OHWOWFBMHROZRA-CHWSQXEVSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@H]1CCCO1 ZINC000386429845 336173778 /nfs/dbraw/zinc/17/37/78/336173778.db2.gz OHWOWFBMHROZRA-CHWSQXEVSA-N 2 2 260.378 0.036 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CCN2CCOC(C)(C)C2)n1C ZINC000581954800 336178952 /nfs/dbraw/zinc/17/89/52/336178952.db2.gz KEYPSOQDYJSTAQ-UHFFFAOYSA-N 2 2 266.389 0.929 20 0 CCADLP C[C@H](CCCC[NH3+])NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000418226293 533841189 /nfs/dbraw/zinc/84/11/89/533841189.db2.gz YMNZIZCKTBFSLC-OCCSQVGLSA-N 2 2 298.431 0.666 20 0 CCADLP C[C@H](CCCC[NH3+])NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000418226293 533841191 /nfs/dbraw/zinc/84/11/91/533841191.db2.gz YMNZIZCKTBFSLC-OCCSQVGLSA-N 2 2 298.431 0.666 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)N1CC[NH+](CCOC)CC1 ZINC000262680054 535525677 /nfs/dbraw/zinc/52/56/77/535525677.db2.gz WMCDUIDWNYFIEF-CYBMUJFWSA-N 2 2 257.378 0.295 20 0 CCADLP C[C@@H]1CN(C[C@H](O)C[N@H+](C)C[C@H]2CC[NH+](C)C2)C[C@@H](C)O1 ZINC000435766082 545095490 /nfs/dbraw/zinc/09/54/90/545095490.db2.gz UQSZMGRLDZUQLS-LVQVYYBASA-N 2 2 299.459 0.340 20 0 CCADLP C[C@@H]1CN(C[C@H](O)C[N@@H+](C)C[C@H]2CC[NH+](C)C2)C[C@@H](C)O1 ZINC000435766082 545095491 /nfs/dbraw/zinc/09/54/91/545095491.db2.gz UQSZMGRLDZUQLS-LVQVYYBASA-N 2 2 299.459 0.340 20 0 CCADLP C[C@@H]1CN(C[C@H](O)C[NH+](C)C[C@H]2CC[N@H+](C)C2)C[C@@H](C)O1 ZINC000435766082 545095492 /nfs/dbraw/zinc/09/54/92/545095492.db2.gz UQSZMGRLDZUQLS-LVQVYYBASA-N 2 2 299.459 0.340 20 0 CCADLP C[C@@H]1CN(C[C@H](O)C[NH+](C)C[C@H]2CC[N@@H+](C)C2)C[C@@H](C)O1 ZINC000435766082 545095493 /nfs/dbraw/zinc/09/54/93/545095493.db2.gz UQSZMGRLDZUQLS-LVQVYYBASA-N 2 2 299.459 0.340 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN(C)C[C@H]2CC[N@H+](C)C2)C[C@@H](C)O1 ZINC000435766082 545095494 /nfs/dbraw/zinc/09/54/94/545095494.db2.gz UQSZMGRLDZUQLS-LVQVYYBASA-N 2 2 299.459 0.340 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN(C)C[C@H]2CC[N@@H+](C)C2)C[C@@H](C)O1 ZINC000435766082 545095495 /nfs/dbraw/zinc/09/54/95/545095495.db2.gz UQSZMGRLDZUQLS-LVQVYYBASA-N 2 2 299.459 0.340 20 0 CCADLP C[C@@H](Cn1cccn1)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000449395139 534271068 /nfs/dbraw/zinc/27/10/68/534271068.db2.gz IAUCBANDSFDWTI-KBPBESRZSA-N 2 2 266.389 0.708 20 0 CCADLP C[C@@H](Cn1cccn1)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000449395139 534271072 /nfs/dbraw/zinc/27/10/72/534271072.db2.gz IAUCBANDSFDWTI-KBPBESRZSA-N 2 2 266.389 0.708 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N[C@H]2CC[NH2+]C23CCC3)c1 ZINC000529328623 518195511 /nfs/dbraw/zinc/19/55/11/518195511.db2.gz FHCUQKIXRSDJAL-LBPRGKRZSA-N 2 2 277.372 0.546 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000433396595 518199850 /nfs/dbraw/zinc/19/98/50/518199850.db2.gz FOZRUWMSWQBFBZ-LLVKDONJSA-N 2 2 288.355 0.503 20 0 CCADLP CC(C)[C@H](O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000366012149 519822044 /nfs/dbraw/zinc/82/20/44/519822044.db2.gz SVLGFEBRPYHQKH-HNNXBMFYSA-N 2 2 297.443 0.678 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](C)[C@H](C(C)C)C2)[N@H+](C)C1 ZINC000499620136 545100257 /nfs/dbraw/zinc/10/02/57/545100257.db2.gz WGODCHVKYRJXAR-IHRRRGAJSA-N 2 2 283.416 0.504 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)N2CC[NH+](C)[C@H](C(C)C)C2)[N@@H+](C)C1 ZINC000499620136 545100258 /nfs/dbraw/zinc/10/02/58/545100258.db2.gz WGODCHVKYRJXAR-IHRRRGAJSA-N 2 2 283.416 0.504 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)[NH+](C)C1 ZINC000499620136 545100259 /nfs/dbraw/zinc/10/02/59/545100259.db2.gz WGODCHVKYRJXAR-IHRRRGAJSA-N 2 2 283.416 0.504 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)[NH+](C)C1 ZINC000499620136 545100260 /nfs/dbraw/zinc/10/02/60/545100260.db2.gz WGODCHVKYRJXAR-IHRRRGAJSA-N 2 2 283.416 0.504 20 0 CCADLP CC1CC[NH+](CC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000366548793 520996530 /nfs/dbraw/zinc/99/65/30/520996530.db2.gz CNWXRFWMFPGDOO-OAHLLOKOSA-N 2 2 295.427 0.651 20 0 CCADLP CC[N@H+](CCO)CC[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@@H]1C ZINC000354639789 521120006 /nfs/dbraw/zinc/12/00/06/521120006.db2.gz UASOFMNYARTBMB-MELADBBJSA-N 2 2 286.416 0.868 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@@H]1C ZINC000354639789 521120016 /nfs/dbraw/zinc/12/00/16/521120016.db2.gz UASOFMNYARTBMB-MELADBBJSA-N 2 2 286.416 0.868 20 0 CCADLP O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)[C@H]1COCC[NH2+]1 ZINC000423822634 534667821 /nfs/dbraw/zinc/66/78/21/534667821.db2.gz GIBPIERDSWPUDL-CYBMUJFWSA-N 2 2 286.335 0.681 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000366020270 523846794 /nfs/dbraw/zinc/84/67/94/523846794.db2.gz VSMNFQBIQJAAFU-ZDUSSCGKSA-N 2 2 292.383 0.551 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000364987833 523875568 /nfs/dbraw/zinc/87/55/68/523875568.db2.gz MEANRRAXCLNMIW-STQMWFEESA-N 2 2 292.383 0.282 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000364987833 523875574 /nfs/dbraw/zinc/87/55/74/523875574.db2.gz MEANRRAXCLNMIW-STQMWFEESA-N 2 2 292.383 0.282 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)C[NH+](C)[C@H]2CCSC2)CC[N@H+]1C ZINC000356852080 525679516 /nfs/dbraw/zinc/67/95/16/525679516.db2.gz MYFJMAOMUWBZML-AGIUHOORSA-N 2 2 285.457 0.975 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)C[NH+](C)[C@H]2CCSC2)CC[N@@H+]1C ZINC000356852080 525679519 /nfs/dbraw/zinc/67/95/19/525679519.db2.gz MYFJMAOMUWBZML-AGIUHOORSA-N 2 2 285.457 0.975 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)C[N@H+](C)[C@H]2CCSC2)CC[NH+]1C ZINC000356852080 525679524 /nfs/dbraw/zinc/67/95/24/525679524.db2.gz MYFJMAOMUWBZML-AGIUHOORSA-N 2 2 285.457 0.975 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)C[N@@H+](C)[C@H]2CCSC2)CC[NH+]1C ZINC000356852080 525679531 /nfs/dbraw/zinc/67/95/31/525679531.db2.gz MYFJMAOMUWBZML-AGIUHOORSA-N 2 2 285.457 0.975 20 0 CCADLP C[NH2+]C[C@](C)(O)CN1CC[NH+](Cc2cccnc2)CC1 ZINC000516872350 536469222 /nfs/dbraw/zinc/46/92/22/536469222.db2.gz XHELVVJXRULHAI-HNNXBMFYSA-N 2 2 278.400 0.170 20 0 CCADLP O=C(C[N@@H+]1CCc2sccc2C1)N[C@H]1CCC[NH2+]C1 ZINC000366352760 526815562 /nfs/dbraw/zinc/81/55/62/526815562.db2.gz FQIHOWLNXLCZJD-LBPRGKRZSA-N 2 2 279.409 0.974 20 0 CCADLP O=C(C[N@H+]1CCc2sccc2C1)N[C@H]1CCC[NH2+]C1 ZINC000366352760 526815566 /nfs/dbraw/zinc/81/55/66/526815566.db2.gz FQIHOWLNXLCZJD-LBPRGKRZSA-N 2 2 279.409 0.974 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cnns1 ZINC000666822314 545131879 /nfs/dbraw/zinc/13/18/79/545131879.db2.gz BOQZJVCVKNQZFE-UHFFFAOYSA-N 2 2 286.405 0.543 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cnns1 ZINC000666822314 545131880 /nfs/dbraw/zinc/13/18/80/545131880.db2.gz BOQZJVCVKNQZFE-UHFFFAOYSA-N 2 2 286.405 0.543 20 0 CCADLP [NH3+]Cc1nc(C(=O)NCCc2[nH]cc[nH+]2)cs1 ZINC000157264495 527264304 /nfs/dbraw/zinc/26/43/04/527264304.db2.gz MKHHNZCOWUTIBH-UHFFFAOYSA-N 2 2 251.315 0.297 20 0 CCADLP CCOCC[NH+]1CCN(Cc2c[nH+]c(C)n2C)CC1 ZINC000667496257 545148983 /nfs/dbraw/zinc/14/89/83/545148983.db2.gz NLPPKVFIEGAGPT-UHFFFAOYSA-N 2 2 266.389 0.883 20 0 CCADLP c1cc(C[N@@H+]2CCN3CCOC[C@H]3C2)n(-c2cc[nH+]cc2)n1 ZINC000667982513 545160169 /nfs/dbraw/zinc/16/01/69/545160169.db2.gz JFISEKXGIYTYNC-MRXNPFEDSA-N 2 2 299.378 0.784 20 0 CCADLP c1cc(C[N@H+]2CCN3CCOC[C@H]3C2)n(-c2cc[nH+]cc2)n1 ZINC000667982513 545160170 /nfs/dbraw/zinc/16/01/70/545160170.db2.gz JFISEKXGIYTYNC-MRXNPFEDSA-N 2 2 299.378 0.784 20 0 CCADLP CNC(=O)[C@]1(C)CC[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000668098789 545163258 /nfs/dbraw/zinc/16/32/58/545163258.db2.gz RMTQLZQSCBTROU-CYBMUJFWSA-N 2 2 250.346 0.687 20 0 CCADLP CNC(=O)[C@]1(C)CC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000668098789 545163259 /nfs/dbraw/zinc/16/32/59/545163259.db2.gz RMTQLZQSCBTROU-CYBMUJFWSA-N 2 2 250.346 0.687 20 0 CCADLP Cc1[nH+]cc(CN2CC[N@@H+](C[C@H](C)O)C[C@H]2C)n1C ZINC000668094010 545163346 /nfs/dbraw/zinc/16/33/46/545163346.db2.gz ZYMLYWQOYQTQDD-NEPJUHHUSA-N 2 2 266.389 0.615 20 0 CCADLP Cc1[nH+]cc(CN2CC[N@H+](C[C@H](C)O)C[C@H]2C)n1C ZINC000668094010 545163347 /nfs/dbraw/zinc/16/33/47/545163347.db2.gz ZYMLYWQOYQTQDD-NEPJUHHUSA-N 2 2 266.389 0.615 20 0 CCADLP CC(=O)N[C@H]1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668244317 545169446 /nfs/dbraw/zinc/16/94/46/545169446.db2.gz XHNWPDDFHBEBAI-ZDUSSCGKSA-N 2 2 285.351 0.978 20 0 CCADLP CC(=O)N[C@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668244317 545169447 /nfs/dbraw/zinc/16/94/47/545169447.db2.gz XHNWPDDFHBEBAI-ZDUSSCGKSA-N 2 2 285.351 0.978 20 0 CCADLP C[C@@H](NC(=O)C1([NH+](C)C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000668319344 545172994 /nfs/dbraw/zinc/17/29/94/545172994.db2.gz GBQZTAJGRGWTAY-VXGBXAGGSA-N 2 2 269.389 0.306 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)C2([NH+](C)C)CC2)n1C ZINC000668663276 545185672 /nfs/dbraw/zinc/18/56/72/545185672.db2.gz GZNGPMUZLMJOEF-UHFFFAOYSA-N 2 2 265.361 0.197 20 0 CCADLP CC(C)[C@H](CNC(=O)C1([NH+](C)C)CC1)N1CC[NH+](C)CC1 ZINC000668670907 545186674 /nfs/dbraw/zinc/18/66/74/545186674.db2.gz NIUUSUVNIZSRJS-AWEZNQCLSA-N 2 2 296.459 0.469 20 0 CCADLP CC(C)[C@H](CNC(=O)C1([NH+](C)C)CC1)[NH+]1CCN(C)CC1 ZINC000668670907 545186675 /nfs/dbraw/zinc/18/66/75/545186675.db2.gz NIUUSUVNIZSRJS-AWEZNQCLSA-N 2 2 296.459 0.469 20 0 CCADLP Cc1cc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])ccc1F ZINC000668939509 545195715 /nfs/dbraw/zinc/19/57/15/545195715.db2.gz RYUKGVOEPMOYAA-CYBMUJFWSA-N 2 2 294.374 0.918 20 0 CCADLP Cc1cc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])ccc1F ZINC000668939509 545195716 /nfs/dbraw/zinc/19/57/16/545195716.db2.gz RYUKGVOEPMOYAA-CYBMUJFWSA-N 2 2 294.374 0.918 20 0 CCADLP CC1(C)[C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)[C@H]2CCCO[C@H]21 ZINC000423572621 527869455 /nfs/dbraw/zinc/86/94/55/527869455.db2.gz OINYMRQCOIPVRC-UMSGYPCISA-N 2 2 254.374 0.768 20 0 CCADLP CCN1C[C@H]([NH2+]C2CC[NH+](CCOC)CC2)CC1=O ZINC000449517502 527989315 /nfs/dbraw/zinc/98/93/15/527989315.db2.gz KJCLTKPNUYPKNO-CYBMUJFWSA-N 2 2 269.389 0.308 20 0 CCADLP CC[N@H+]1C[C@H](NC[C@H]2C[NH+](C3CC3)CCO2)[C@@H](C)C1 ZINC000358174224 527990811 /nfs/dbraw/zinc/99/08/11/527990811.db2.gz KXQBRJDTVQBZEK-QEJZJMRPSA-N 2 2 267.417 0.779 20 0 CCADLP CC[N@@H+]1C[C@H](NC[C@H]2C[NH+](C3CC3)CCO2)[C@@H](C)C1 ZINC000358174224 527990816 /nfs/dbraw/zinc/99/08/16/527990816.db2.gz KXQBRJDTVQBZEK-QEJZJMRPSA-N 2 2 267.417 0.779 20 0 CCADLP CC[NH+]1C[C@H](NC[C@H]2C[N@@H+](C3CC3)CCO2)[C@@H](C)C1 ZINC000358174224 527990821 /nfs/dbraw/zinc/99/08/21/527990821.db2.gz KXQBRJDTVQBZEK-QEJZJMRPSA-N 2 2 267.417 0.779 20 0 CCADLP CC[NH+]1C[C@H](NC[C@H]2C[N@H+](C3CC3)CCO2)[C@@H](C)C1 ZINC000358174224 527990826 /nfs/dbraw/zinc/99/08/26/527990826.db2.gz KXQBRJDTVQBZEK-QEJZJMRPSA-N 2 2 267.417 0.779 20 0 CCADLP CC[N@H+]1C[C@H](NC[C@@H]2C[NH+](C3CC3)CCO2)[C@@H](C)C1 ZINC000358174220 527990993 /nfs/dbraw/zinc/99/09/93/527990993.db2.gz KXQBRJDTVQBZEK-CFVMTHIKSA-N 2 2 267.417 0.779 20 0 CCADLP CC[N@@H+]1C[C@H](NC[C@@H]2C[NH+](C3CC3)CCO2)[C@@H](C)C1 ZINC000358174220 527990995 /nfs/dbraw/zinc/99/09/95/527990995.db2.gz KXQBRJDTVQBZEK-CFVMTHIKSA-N 2 2 267.417 0.779 20 0 CCADLP CC[NH+]1C[C@H](NC[C@@H]2C[N@@H+](C3CC3)CCO2)[C@@H](C)C1 ZINC000358174220 527991002 /nfs/dbraw/zinc/99/10/02/527991002.db2.gz KXQBRJDTVQBZEK-CFVMTHIKSA-N 2 2 267.417 0.779 20 0 CCADLP CC[NH+]1C[C@H](NC[C@@H]2C[N@H+](C3CC3)CCO2)[C@@H](C)C1 ZINC000358174220 527991004 /nfs/dbraw/zinc/99/10/04/527991004.db2.gz KXQBRJDTVQBZEK-CFVMTHIKSA-N 2 2 267.417 0.779 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000669185091 545201968 /nfs/dbraw/zinc/20/19/68/545201968.db2.gz AQYOPRJPPAXXII-LBPRGKRZSA-N 2 2 294.399 0.599 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000669185091 545201969 /nfs/dbraw/zinc/20/19/69/545201969.db2.gz AQYOPRJPPAXXII-LBPRGKRZSA-N 2 2 294.399 0.599 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000669185091 545201970 /nfs/dbraw/zinc/20/19/70/545201970.db2.gz AQYOPRJPPAXXII-LBPRGKRZSA-N 2 2 294.399 0.599 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000669185091 545201971 /nfs/dbraw/zinc/20/19/71/545201971.db2.gz AQYOPRJPPAXXII-LBPRGKRZSA-N 2 2 294.399 0.599 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N[C@H]1CCC[NH2+]CC1)[NH+]1CCOCC1 ZINC000669463910 545209031 /nfs/dbraw/zinc/20/90/31/545209031.db2.gz CNHBLWQSGOMXIW-MJBXVCDLSA-N 2 2 298.431 0.537 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]([NH3+])c2c(F)cccc2F)CCO1 ZINC000669512690 545211659 /nfs/dbraw/zinc/21/16/59/545211659.db2.gz FZRZDYGULFVDLP-QWRKXWFKSA-N 2 2 299.321 0.539 20 0 CCADLP CCOC(=O)c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)o1 ZINC000415029768 528221520 /nfs/dbraw/zinc/22/15/20/528221520.db2.gz BLUSJFRZQISWNR-LBPRGKRZSA-N 2 2 282.340 0.924 20 0 CCADLP CC[NH2+]CCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000417926967 528323606 /nfs/dbraw/zinc/32/36/06/528323606.db2.gz PLJGVTLGTNXQPX-LBPRGKRZSA-N 2 2 277.372 0.569 20 0 CCADLP CC(C)[C@@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)c1[nH]cc[nH+]1 ZINC000670240323 545231341 /nfs/dbraw/zinc/23/13/41/545231341.db2.gz QSWDVGDESVRKRC-CHWSQXEVSA-N 2 2 291.399 0.613 20 0 CCADLP CC(C)[C@@H](NC(=O)[C@H]1C[N@H+]2CCN1CCC2)c1[nH]cc[nH+]1 ZINC000670240323 545231342 /nfs/dbraw/zinc/23/13/42/545231342.db2.gz QSWDVGDESVRKRC-CHWSQXEVSA-N 2 2 291.399 0.613 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423601575 528475242 /nfs/dbraw/zinc/47/52/42/528475242.db2.gz BZTMOXZXBCTXHY-UKRRQHHQSA-N 2 2 283.416 0.685 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423601575 528475246 /nfs/dbraw/zinc/47/52/46/528475246.db2.gz BZTMOXZXBCTXHY-UKRRQHHQSA-N 2 2 283.416 0.685 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000423589258 528479608 /nfs/dbraw/zinc/47/96/08/528479608.db2.gz HAWLPLHBIDOGIO-MGPQQGTHSA-N 2 2 283.416 0.602 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000423589258 528479611 /nfs/dbraw/zinc/47/96/11/528479611.db2.gz HAWLPLHBIDOGIO-MGPQQGTHSA-N 2 2 283.416 0.602 20 0 CCADLP CCC[NH2+]CCNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000418219456 528496904 /nfs/dbraw/zinc/49/69/04/528496904.db2.gz RGKWMLINHWGWIL-ZDUSSCGKSA-N 2 2 284.404 0.148 20 0 CCADLP CCC[NH2+]CCNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000418219456 528496906 /nfs/dbraw/zinc/49/69/06/528496906.db2.gz RGKWMLINHWGWIL-ZDUSSCGKSA-N 2 2 284.404 0.148 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCCC[NH+](C)C ZINC000672663663 545271131 /nfs/dbraw/zinc/27/11/31/545271131.db2.gz VBRFWSCLTLELNE-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP COCC[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000672870147 545274270 /nfs/dbraw/zinc/27/42/70/545274270.db2.gz JPCKJVZLRHIIDS-GFCCVEGCSA-N 2 2 280.372 0.190 20 0 CCADLP COCC[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000672870147 545274271 /nfs/dbraw/zinc/27/42/71/545274271.db2.gz JPCKJVZLRHIIDS-GFCCVEGCSA-N 2 2 280.372 0.190 20 0 CCADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)COCC(=O)OC)C1 ZINC000449087868 529092007 /nfs/dbraw/zinc/09/20/07/529092007.db2.gz ADNRTZZQWGNECK-RYUDHWBXSA-N 2 2 258.362 0.638 20 0 CCADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)COCC(=O)OC)C1 ZINC000449087868 529092009 /nfs/dbraw/zinc/09/20/09/529092009.db2.gz ADNRTZZQWGNECK-RYUDHWBXSA-N 2 2 258.362 0.638 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)C2([NH3+])CCC2)CCO1 ZINC000449338647 529117095 /nfs/dbraw/zinc/11/70/95/529117095.db2.gz WCXGCGLRXRNHFN-UHFFFAOYSA-N 2 2 255.362 0.095 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)C2([NH3+])CCC2)CCO1 ZINC000449338647 529117099 /nfs/dbraw/zinc/11/70/99/529117099.db2.gz WCXGCGLRXRNHFN-UHFFFAOYSA-N 2 2 255.362 0.095 20 0 CCADLP CC[C@@H]([NH2+]Cc1c[nH+]ccc1N(C)C)C(=O)NC ZINC000449774431 529188962 /nfs/dbraw/zinc/18/89/62/529188962.db2.gz LVKUNWSYCDUFPC-LLVKDONJSA-N 2 2 250.346 0.762 20 0 CCADLP CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2[nH+]ccn2C)C1 ZINC000264058631 534944731 /nfs/dbraw/zinc/94/47/31/534944731.db2.gz GHCREWTXNTVWMR-LBPRGKRZSA-N 2 2 279.388 0.951 20 0 CCADLP CCC[N@H+]1CC[C@@H](CNC(=O)NCc2[nH+]ccn2C)C1 ZINC000264058631 534944732 /nfs/dbraw/zinc/94/47/32/534944732.db2.gz GHCREWTXNTVWMR-LBPRGKRZSA-N 2 2 279.388 0.951 20 0 CCADLP C[C@@H](NC(=O)[C@H](C)[NH+](C)C)[C@@H](C)[NH+]1CCOCC1 ZINC000674287374 545302551 /nfs/dbraw/zinc/30/25/51/545302551.db2.gz ADTZTBMXVWCXJD-UTUOFQBUSA-N 2 2 257.378 0.162 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000344126435 535108826 /nfs/dbraw/zinc/10/88/26/535108826.db2.gz LUZPXSCJMLSOMT-ZDUSSCGKSA-N 2 2 294.399 0.815 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000344126435 535108830 /nfs/dbraw/zinc/10/88/30/535108830.db2.gz LUZPXSCJMLSOMT-ZDUSSCGKSA-N 2 2 294.399 0.815 20 0 CCADLP CCC[NH+]1CCC(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263070154 535355290 /nfs/dbraw/zinc/35/52/90/535355290.db2.gz WLSKCDXHOAPUBC-LLVKDONJSA-N 2 2 275.343 0.974 20 0 CCADLP Cn1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000675637954 545329794 /nfs/dbraw/zinc/32/97/94/545329794.db2.gz OGIGOJZMRJWZPW-CQSZACIVSA-N 2 2 290.411 0.923 20 0 CCADLP Cn1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000675637954 545329795 /nfs/dbraw/zinc/32/97/95/545329795.db2.gz OGIGOJZMRJWZPW-CQSZACIVSA-N 2 2 290.411 0.923 20 0 CCADLP CCC[NH+]1CCC([NH2+]CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000675815606 545331922 /nfs/dbraw/zinc/33/19/22/545331922.db2.gz VPUOWYSURMZMKU-UHFFFAOYSA-N 3 2 296.459 0.615 20 0 CCADLP COC[C@H](C)[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000675886226 545332377 /nfs/dbraw/zinc/33/23/77/545332377.db2.gz BTZOGKFFAMQPNS-UONOGXRCSA-N 2 2 271.405 0.017 20 0 CCADLP C[C@H](NC(=O)N[C@@H]1CCC[N@H+](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000676244286 545337937 /nfs/dbraw/zinc/33/79/37/545337937.db2.gz ABRDSPFEOUVHTA-XQQFMLRXSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@H](NC(=O)N[C@@H]1CCC[N@@H+](C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000676244286 545337938 /nfs/dbraw/zinc/33/79/38/545337938.db2.gz ABRDSPFEOUVHTA-XQQFMLRXSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@H](NC(=O)N[C@@H]1CCC[NH+](C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000676244286 545337939 /nfs/dbraw/zinc/33/79/39/545337939.db2.gz ABRDSPFEOUVHTA-XQQFMLRXSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@H](NC(=O)N[C@@H]1CCC[NH+](C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676244286 545337940 /nfs/dbraw/zinc/33/79/40/545337940.db2.gz ABRDSPFEOUVHTA-XQQFMLRXSA-N 2 2 284.404 0.099 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000676246607 545338585 /nfs/dbraw/zinc/33/85/85/545338585.db2.gz XLGHHFDIADHXKN-WCQYABFASA-N 2 2 295.387 0.210 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000676246607 545338586 /nfs/dbraw/zinc/33/85/86/545338586.db2.gz XLGHHFDIADHXKN-WCQYABFASA-N 2 2 295.387 0.210 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000676303908 545340393 /nfs/dbraw/zinc/34/03/93/545340393.db2.gz BDUKXYSRSYIMEQ-ZIAGYGMSSA-N 2 2 298.431 0.441 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000676303908 545340394 /nfs/dbraw/zinc/34/03/94/545340394.db2.gz BDUKXYSRSYIMEQ-ZIAGYGMSSA-N 2 2 298.431 0.441 20 0 CCADLP CC[NH+](CC)CCOCCNC(=O)NCc1c[nH+]cn1C ZINC000359204786 535545856 /nfs/dbraw/zinc/54/58/56/535545856.db2.gz VRQTUFPFAMRWNZ-UHFFFAOYSA-N 2 2 297.403 0.578 20 0 CCADLP CC(C)(C)[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000676373237 545342646 /nfs/dbraw/zinc/34/26/46/545342646.db2.gz KNPCIXSYHKFZCO-KGLIPLIRSA-N 2 2 297.443 0.808 20 0 CCADLP CC(C)(C)[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000676373237 545342647 /nfs/dbraw/zinc/34/26/47/545342647.db2.gz KNPCIXSYHKFZCO-KGLIPLIRSA-N 2 2 297.443 0.808 20 0 CCADLP CC[N@@H+]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)[C@H](C)C1 ZINC000341838892 535609810 /nfs/dbraw/zinc/60/98/10/535609810.db2.gz IMCNVCLMYBXWSP-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP CC[N@H+]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)[C@H](C)C1 ZINC000341838892 535609818 /nfs/dbraw/zinc/60/98/18/535609818.db2.gz IMCNVCLMYBXWSP-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP CCOC(=O)CCC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357650343 535630613 /nfs/dbraw/zinc/63/06/13/535630613.db2.gz QQYXKSQCAJRSLT-UHFFFAOYSA-N 2 2 272.389 0.718 20 0 CCADLP CCOC(=O)CCC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357650343 535630618 /nfs/dbraw/zinc/63/06/18/535630618.db2.gz QQYXKSQCAJRSLT-UHFFFAOYSA-N 2 2 272.389 0.718 20 0 CCADLP CCOC(=O)C[N@@H+]1CCCN(C(=O)/C=C/C[NH+](C)C)CC1 ZINC000369575323 535673394 /nfs/dbraw/zinc/67/33/94/535673394.db2.gz YQKFZGZUIGDMJH-FNORWQNLSA-N 2 2 297.399 0.202 20 0 CCADLP CCOC(=O)C[N@H+]1CCCN(C(=O)/C=C/C[NH+](C)C)CC1 ZINC000369575323 535673399 /nfs/dbraw/zinc/67/33/99/535673399.db2.gz YQKFZGZUIGDMJH-FNORWQNLSA-N 2 2 297.399 0.202 20 0 CCADLP O=C(NCC[NH+]1CCCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000676841203 545353439 /nfs/dbraw/zinc/35/34/39/545353439.db2.gz FMQQKDFCUWFSTO-GFCCVEGCSA-N 2 2 262.357 0.658 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCCN2CC[NH+](CC)CC2)C1 ZINC000347717048 535781567 /nfs/dbraw/zinc/78/15/67/535781567.db2.gz IZUSQXGOKBKRLG-JKSUJKDBSA-N 3 2 282.476 0.944 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCCN2CC[NH+](CC)CC2)C1 ZINC000347717048 535781571 /nfs/dbraw/zinc/78/15/71/535781571.db2.gz IZUSQXGOKBKRLG-JKSUJKDBSA-N 3 2 282.476 0.944 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CC2(O)CCCC2)CC1 ZINC000678081597 545383762 /nfs/dbraw/zinc/38/37/62/545383762.db2.gz XEEHOHVXVAENOL-AWEZNQCLSA-N 2 2 295.427 0.706 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CC2(O)CCCC2)CC1 ZINC000678081597 545383763 /nfs/dbraw/zinc/38/37/63/545383763.db2.gz XEEHOHVXVAENOL-AWEZNQCLSA-N 2 2 295.427 0.706 20 0 CCADLP CC1(C[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)COC1 ZINC000678083284 545384260 /nfs/dbraw/zinc/38/42/60/545384260.db2.gz ZBCSHMWDZWBTCT-CYBMUJFWSA-N 2 2 281.400 0.437 20 0 CCADLP CC1(C[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)COC1 ZINC000678083284 545384261 /nfs/dbraw/zinc/38/42/61/545384261.db2.gz ZBCSHMWDZWBTCT-CYBMUJFWSA-N 2 2 281.400 0.437 20 0 CCADLP COCC[N@H+](CC(=O)N1CC[NH+](C)CC1)C1CCCC1 ZINC000678515090 545393722 /nfs/dbraw/zinc/39/37/22/545393722.db2.gz RMIQDGOHGNTKQV-UHFFFAOYSA-N 2 2 283.416 0.651 20 0 CCADLP C[N@H+](CCOCC1CCC1)CC(=O)N1CC[NH+](C)CC1 ZINC000678531815 545393958 /nfs/dbraw/zinc/39/39/58/545393958.db2.gz LELRPFZEUUMQAH-UHFFFAOYSA-N 2 2 283.416 0.509 20 0 CCADLP C[N@@H+](CCOCC1CCC1)CC(=O)N1CC[NH+](C)CC1 ZINC000678531815 545393959 /nfs/dbraw/zinc/39/39/59/545393959.db2.gz LELRPFZEUUMQAH-UHFFFAOYSA-N 2 2 283.416 0.509 20 0 CCADLP Cc1ccncc1[C@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000678541474 545394103 /nfs/dbraw/zinc/39/41/03/545394103.db2.gz DAKFKKYQAJVUDI-ZDUSSCGKSA-N 2 2 276.384 0.815 20 0 CCADLP Cc1n[nH]cc1[C@@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000679336433 545407420 /nfs/dbraw/zinc/40/74/20/545407420.db2.gz NXGDMHIXCIVLDI-SNVBAGLBSA-N 2 2 265.361 0.143 20 0 CCADLP CC(C)OCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000679381280 545408517 /nfs/dbraw/zinc/40/85/17/545408517.db2.gz VJHGCQKAMMXBDX-UHFFFAOYSA-N 2 2 257.378 0.117 20 0 CCADLP CC(C)OCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000679381280 545408518 /nfs/dbraw/zinc/40/85/18/545408518.db2.gz VJHGCQKAMMXBDX-UHFFFAOYSA-N 2 2 257.378 0.117 20 0 CCADLP CO[C@@H]1CC[N@H+](Cc2ccc3c(c2)nnn3C)[C@@H](C[NH3+])C1 ZINC000346840797 536687558 /nfs/dbraw/zinc/68/75/58/536687558.db2.gz USMUVRBUMWTDSX-CHWSQXEVSA-N 2 2 289.383 0.906 20 0 CCADLP CO[C@@H]1CC[N@@H+](Cc2ccc3c(c2)nnn3C)[C@@H](C[NH3+])C1 ZINC000346840797 536687560 /nfs/dbraw/zinc/68/75/60/536687560.db2.gz USMUVRBUMWTDSX-CHWSQXEVSA-N 2 2 289.383 0.906 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)NCCn1cc[nH+]c1C)CC2 ZINC000679890336 545417820 /nfs/dbraw/zinc/41/78/20/545417820.db2.gz PLKUWZCKJJTVTL-UHFFFAOYSA-N 2 2 288.355 0.922 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CO1 ZINC000682223764 545475916 /nfs/dbraw/zinc/47/59/16/545475916.db2.gz HLYSCPRHRJPNSP-MGPQQGTHSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CO1 ZINC000682223764 545475917 /nfs/dbraw/zinc/47/59/17/545475917.db2.gz HLYSCPRHRJPNSP-MGPQQGTHSA-N 2 2 295.427 0.696 20 0 CCADLP O=C(NCCn1cc[nH+]c1)[C@H]1CCc2[nH+]ccn2C1 ZINC000682456554 545479549 /nfs/dbraw/zinc/47/95/49/545479549.db2.gz FHKMFWAFNOHZDC-NSHDSACASA-N 2 2 259.313 0.458 20 0 CCADLP O=C(NCCNc1cc[nH+]cc1)[C@H]1CCc2[nH+]ccn2C1 ZINC000682608162 545485489 /nfs/dbraw/zinc/48/54/89/545485489.db2.gz XMUWUZRKXCFQHF-LBPRGKRZSA-N 2 2 285.351 0.491 20 0 CCADLP CCN1OC[C@H]([N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)C1=O ZINC000682677793 545487417 /nfs/dbraw/zinc/48/74/17/545487417.db2.gz TUHCFURVUIERTK-XQQFMLRXSA-N 2 2 278.356 0.928 20 0 CCADLP CCN1OC[C@H]([N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)C1=O ZINC000682677793 545487418 /nfs/dbraw/zinc/48/74/18/545487418.db2.gz TUHCFURVUIERTK-XQQFMLRXSA-N 2 2 278.356 0.928 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1[C@H]2C[N@H+](CCC3CC3)C[C@H]21 ZINC000962150099 649892963 /nfs/dbraw/zinc/89/29/63/649892963.db2.gz SFYJHVOOAKGEBM-JYAVWHMHSA-N 2 2 274.368 0.799 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1[C@H]2C[N@@H+](CCC3CC3)C[C@H]21 ZINC000962150099 649892964 /nfs/dbraw/zinc/89/29/64/649892964.db2.gz SFYJHVOOAKGEBM-JYAVWHMHSA-N 2 2 274.368 0.799 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC1CC(C[NH2+]CC2CC2)C1 ZINC000962362324 649899407 /nfs/dbraw/zinc/89/94/07/649899407.db2.gz NBHKJZXBVQVRTI-UHFFFAOYSA-N 2 2 262.357 0.847 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000784605585 581168979 /nfs/dbraw/zinc/16/89/79/581168979.db2.gz BAWXHLHQKNHKKF-OAHLLOKOSA-N 2 2 298.427 0.572 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000784605585 581168981 /nfs/dbraw/zinc/16/89/81/581168981.db2.gz BAWXHLHQKNHKKF-OAHLLOKOSA-N 2 2 298.427 0.572 20 0 CCADLP C[C@@H](CCO)[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000779395997 581183668 /nfs/dbraw/zinc/18/36/68/581183668.db2.gz FMEYHFGCGQUDKV-ZDUSSCGKSA-N 3 2 269.433 0.906 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH+]2CCCC2)CC2(CCOCC2)O1 ZINC000790360401 581185372 /nfs/dbraw/zinc/18/53/72/581185372.db2.gz GZPGFMZLMOPNLG-HUUCEWRRSA-N 2 2 298.427 0.713 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+]2CCCC2)CC2(CCOCC2)O1 ZINC000790360401 581185373 /nfs/dbraw/zinc/18/53/73/581185373.db2.gz GZPGFMZLMOPNLG-HUUCEWRRSA-N 2 2 298.427 0.713 20 0 CCADLP Cc1c(C[N@H+](C)C[C@H](O)C[NH+]2CCCC2)cnn1C ZINC000790444482 581187503 /nfs/dbraw/zinc/18/75/03/581187503.db2.gz HDNKICFUJHRTCQ-AWEZNQCLSA-N 2 2 266.389 0.617 20 0 CCADLP Cc1c(C[N@@H+](C)C[C@H](O)C[NH+]2CCCC2)cnn1C ZINC000790444482 581187506 /nfs/dbraw/zinc/18/75/06/581187506.db2.gz HDNKICFUJHRTCQ-AWEZNQCLSA-N 2 2 266.389 0.617 20 0 CCADLP C[N@@H+]1CCC[C@H](N2CC[NH+](CC3OCCO3)CC2)C1 ZINC000777615411 581191158 /nfs/dbraw/zinc/19/11/58/581191158.db2.gz JMRFNUFUBREUNG-ZDUSSCGKSA-N 2 2 269.389 0.071 20 0 CCADLP C[N@H+]1CCC[C@H](N2CC[NH+](CC3OCCO3)CC2)C1 ZINC000777615411 581191159 /nfs/dbraw/zinc/19/11/59/581191159.db2.gz JMRFNUFUBREUNG-ZDUSSCGKSA-N 2 2 269.389 0.071 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)NC[C@@H]2CCC[NH+]2C)CCO1 ZINC000726713999 581247457 /nfs/dbraw/zinc/24/74/57/581247457.db2.gz XNSLLNXIXDWLPK-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)NC[C@@H]2CCC[NH+]2C)CCO1 ZINC000726713999 581247460 /nfs/dbraw/zinc/24/74/60/581247460.db2.gz XNSLLNXIXDWLPK-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)NC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC000726713999 581247461 /nfs/dbraw/zinc/24/74/61/581247461.db2.gz XNSLLNXIXDWLPK-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)NC[C@@H]2CCC[N@H+]2C)CCO1 ZINC000726713999 581247464 /nfs/dbraw/zinc/24/74/64/581247464.db2.gz XNSLLNXIXDWLPK-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP COCCO[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000781964424 581282981 /nfs/dbraw/zinc/28/29/81/581282981.db2.gz UCVQBCKATVVJCV-UONOGXRCSA-N 2 2 272.389 0.180 20 0 CCADLP COCCO[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000781964424 581282983 /nfs/dbraw/zinc/28/29/83/581282983.db2.gz UCVQBCKATVVJCV-UONOGXRCSA-N 2 2 272.389 0.180 20 0 CCADLP CC[C@@H](NC(=O)CC[NH+]1CCOCC1)c1[nH]cc[nH+]1 ZINC000781991497 581283846 /nfs/dbraw/zinc/28/38/46/581283846.db2.gz OKPVUFDXNQFPQE-LLVKDONJSA-N 2 2 266.345 0.699 20 0 CCADLP COc1ccccc1[C@H](CO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000782067017 581286944 /nfs/dbraw/zinc/28/69/44/581286944.db2.gz IBVZWWJUHRNUIX-ZFWWWQNUSA-N 2 2 294.395 0.775 20 0 CCADLP Cc1cc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)n(C)n1 ZINC000793553489 581303107 /nfs/dbraw/zinc/30/31/07/581303107.db2.gz NCLOWBSBENPWFQ-AAEUAGOBSA-N 2 2 252.362 0.446 20 0 CCADLP Cc1cc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)n(C)n1 ZINC000793553489 581303109 /nfs/dbraw/zinc/30/31/09/581303109.db2.gz NCLOWBSBENPWFQ-AAEUAGOBSA-N 2 2 252.362 0.446 20 0 CCADLP CC[C@H]1CC[N@@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000793820992 581314859 /nfs/dbraw/zinc/31/48/59/581314859.db2.gz NVHFDRSOPSEMIN-NSHDSACASA-N 2 2 280.372 0.444 20 0 CCADLP CC[C@H]1CC[N@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000793820992 581314860 /nfs/dbraw/zinc/31/48/60/581314860.db2.gz NVHFDRSOPSEMIN-NSHDSACASA-N 2 2 280.372 0.444 20 0 CCADLP COC(=O)C[C@@]1([NH2+]Cc2c[nH+]c[nH]2)CCCOC1 ZINC000796457528 581356581 /nfs/dbraw/zinc/35/65/81/581356581.db2.gz XBWMUOMKYVZPLA-LBPRGKRZSA-N 2 2 253.302 0.612 20 0 CCADLP CCOCC[N@H+](C)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783996334 581370604 /nfs/dbraw/zinc/37/06/04/581370604.db2.gz ZCQMHQOHWDSNDH-GFCCVEGCSA-N 2 2 280.372 0.662 20 0 CCADLP CCOCC[N@@H+](C)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783996334 581370605 /nfs/dbraw/zinc/37/06/05/581370605.db2.gz ZCQMHQOHWDSNDH-GFCCVEGCSA-N 2 2 280.372 0.662 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000785410059 581408230 /nfs/dbraw/zinc/40/82/30/581408230.db2.gz RWJKEDDETOQUDK-NSHDSACASA-N 2 2 252.362 0.976 20 0 CCADLP O=C1CC[C@H]([N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)C(=O)N1 ZINC000765963920 581542960 /nfs/dbraw/zinc/54/29/60/581542960.db2.gz MPYLWLVJQNNVBE-NEPJUHHUSA-N 2 2 265.357 0.209 20 0 CCADLP O=C1CC[C@H]([N@H+]2CC[C@H](C[NH+]3CCCC3)C2)C(=O)N1 ZINC000765963920 581542961 /nfs/dbraw/zinc/54/29/61/581542961.db2.gz MPYLWLVJQNNVBE-NEPJUHHUSA-N 2 2 265.357 0.209 20 0 CCADLP Cc1cccc(NCCNC(=O)CN2CC[NH+](C)CC2)[nH+]1 ZINC000743464495 581813233 /nfs/dbraw/zinc/81/32/33/581813233.db2.gz QIPISFSCPQPWDK-UHFFFAOYSA-N 2 2 291.399 0.166 20 0 CCADLP Cc1cc(NC[C@@H](O)C[NH+](C)C)nc(-c2ccncc2)[nH+]1 ZINC000732566207 581834244 /nfs/dbraw/zinc/83/42/44/581834244.db2.gz HWMMBNLUZBFQIL-CYBMUJFWSA-N 2 2 287.367 0.603 20 0 CCADLP COc1ccccc1[C@@H](NC(=O)C[NH3+])c1[nH+]ccn1C ZINC000746298504 581908768 /nfs/dbraw/zinc/90/87/68/581908768.db2.gz XTLQUIWSNCGAAZ-CYBMUJFWSA-N 2 2 274.324 0.593 20 0 CCADLP Cn1cc[nH+]c1N1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000762802372 581962926 /nfs/dbraw/zinc/96/29/26/581962926.db2.gz ZXESBZJKPQWRIC-UHFFFAOYSA-N 2 2 286.339 0.241 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+](C)C[C@@H]2CCCO2)C1 ZINC000774583432 581982332 /nfs/dbraw/zinc/98/23/32/581982332.db2.gz ZNTUHVXOMHRLMV-OLZOCXBDSA-N 2 2 292.383 0.804 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+](C)C[C@@H]2CCCO2)C1 ZINC000774583432 581982335 /nfs/dbraw/zinc/98/23/35/581982335.db2.gz ZNTUHVXOMHRLMV-OLZOCXBDSA-N 2 2 292.383 0.804 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(C)OC)C[C@@H]1C ZINC000774646899 581986712 /nfs/dbraw/zinc/98/67/12/581986712.db2.gz PUMOERGZUTZUIT-NWDGAFQWSA-N 2 2 257.378 0.811 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)OC)C[C@@H]1C ZINC000774646899 581986708 /nfs/dbraw/zinc/98/67/08/581986708.db2.gz PUMOERGZUTZUIT-NWDGAFQWSA-N 2 2 257.378 0.811 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)OC)C[C@@H]1C ZINC000774646899 581986709 /nfs/dbraw/zinc/98/67/09/581986709.db2.gz PUMOERGZUTZUIT-NWDGAFQWSA-N 2 2 257.378 0.811 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(C)OC)C[C@@H]1C ZINC000774646899 581986710 /nfs/dbraw/zinc/98/67/10/581986710.db2.gz PUMOERGZUTZUIT-NWDGAFQWSA-N 2 2 257.378 0.811 20 0 CCADLP COC(=O)c1cn(C[NH+]2CCC(C[NH+](C)C)CC2)nn1 ZINC000738077650 582020875 /nfs/dbraw/zinc/02/08/75/582020875.db2.gz WEDCLHGLJYOELO-UHFFFAOYSA-N 2 2 281.360 0.296 20 0 CCADLP C[C@@H]([NH3+])CN(C)C(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000877104223 617174839 /nfs/dbraw/zinc/17/48/39/617174839.db2.gz FORMCXOCDAMKFT-RDDDGLTNSA-N 2 2 257.284 0.770 20 0 CCADLP C[C@@H]([NH3+])CN(C)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000877106481 617174965 /nfs/dbraw/zinc/17/49/65/617174965.db2.gz QXSLQVNYOZSWKM-SNVBAGLBSA-N 2 2 259.313 0.687 20 0 CCADLP CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925671161 617179742 /nfs/dbraw/zinc/17/97/42/617179742.db2.gz BKETXCGZUUXVNK-CUFWQULOSA-N 2 2 298.452 0.928 20 0 CCADLP CC(=O)OC[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000892794042 614224208 /nfs/dbraw/zinc/22/42/08/614224208.db2.gz QOLVKBGAVPQFSS-OCCSQVGLSA-N 2 2 299.415 0.470 20 0 CCADLP CC(=O)OC[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000892794042 614224209 /nfs/dbraw/zinc/22/42/09/614224209.db2.gz QOLVKBGAVPQFSS-OCCSQVGLSA-N 2 2 299.415 0.470 20 0 CCADLP CCC[C@H](O)CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000925860505 614422475 /nfs/dbraw/zinc/42/24/75/614422475.db2.gz YZYHQMOZHXEEIA-IHRRRGAJSA-N 2 2 256.390 0.894 20 0 CCADLP C/C=C\[C@@H](O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000900693487 613206278 /nfs/dbraw/zinc/20/62/78/613206278.db2.gz UKSNJMMTVYMAEG-GEXIGZQTSA-N 2 2 283.416 0.408 20 0 CCADLP C/C=C\[C@@H](O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000900693487 613206279 /nfs/dbraw/zinc/20/62/79/613206279.db2.gz UKSNJMMTVYMAEG-GEXIGZQTSA-N 2 2 283.416 0.408 20 0 CCADLP C(C[NH2+]C1CC1)CN1CCC[C@H]1C[NH+]1CCOCC1 ZINC000923321202 613224415 /nfs/dbraw/zinc/22/44/15/613224415.db2.gz ACJZFOAQVQIKJM-HNNXBMFYSA-N 2 2 267.417 0.925 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC([NH2+]CC2CSC2)CC1 ZINC000895421492 613225786 /nfs/dbraw/zinc/22/57/86/613225786.db2.gz LIKQHMRKJHXBGY-UHFFFAOYSA-N 2 2 299.484 0.736 20 0 CCADLP C(C[NH+]1CCC([NH2+]CC2CSC2)CC1)N1CCOCC1 ZINC000895421492 613225789 /nfs/dbraw/zinc/22/57/89/613225789.db2.gz LIKQHMRKJHXBGY-UHFFFAOYSA-N 2 2 299.484 0.736 20 0 CCADLP C(C[C@H]1CCC2(CCOCC2)CO1)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925774164 613228792 /nfs/dbraw/zinc/22/87/92/613228792.db2.gz SFVQUISEEFWOMU-HUUCEWRRSA-N 2 2 298.427 0.930 20 0 CCADLP C(C[C@H]1CCCO1)[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000925773768 613229476 /nfs/dbraw/zinc/22/94/76/613229476.db2.gz GMWOFXWUQYGPNN-HZSPNIEDSA-N 2 2 254.374 0.912 20 0 CCADLP C(c1[nH]nc2c1COCC2)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000903788131 613234198 /nfs/dbraw/zinc/23/41/98/613234198.db2.gz CLPORWKBRFHARC-WDEREUQCSA-N 2 2 262.357 0.524 20 0 CCADLP C(c1[nH]nc2c1COCC2)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000903788131 613234200 /nfs/dbraw/zinc/23/42/00/613234200.db2.gz CLPORWKBRFHARC-WDEREUQCSA-N 2 2 262.357 0.524 20 0 CCADLP C/C(=C\C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)C[NH+]1CCOCC1 ZINC000907805077 613253813 /nfs/dbraw/zinc/25/38/13/613253813.db2.gz NEUOOXGASHGWPQ-XWWZYGQCSA-N 2 2 293.411 0.285 20 0 CCADLP C/C(=C\C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)C[NH+]1CCOCC1 ZINC000907805077 613253815 /nfs/dbraw/zinc/25/38/15/613253815.db2.gz NEUOOXGASHGWPQ-XWWZYGQCSA-N 2 2 293.411 0.285 20 0 CCADLP CC(=O)N1CCN(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925548294 613415844 /nfs/dbraw/zinc/41/58/44/613415844.db2.gz RVHZJVXCDACEAJ-HNNXBMFYSA-N 2 2 294.443 0.415 20 0 CCADLP CC(C)[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000959935932 613951677 /nfs/dbraw/zinc/95/16/77/613951677.db2.gz DAQIXVSHTZQUED-UONOGXRCSA-N 2 2 283.416 0.696 20 0 CCADLP CC(C)[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000959935932 613951680 /nfs/dbraw/zinc/95/16/80/613951680.db2.gz DAQIXVSHTZQUED-UONOGXRCSA-N 2 2 283.416 0.696 20 0 CCADLP CC(C)[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000969436551 613969429 /nfs/dbraw/zinc/96/94/29/613969429.db2.gz JDBRPOZXQMSKGC-GFCCVEGCSA-N 2 2 264.373 0.952 20 0 CCADLP CC(C)[NH2+][C@H](C)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC000979426992 613978960 /nfs/dbraw/zinc/97/89/60/613978960.db2.gz GXHFZPFGTJCRRQ-VXGBXAGGSA-N 2 2 280.372 0.566 20 0 CCADLP CC(C)OC[C@@H](C)[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000800239740 614026324 /nfs/dbraw/zinc/02/63/24/614026324.db2.gz UNPCHUDYADKQOE-HZPDHXFCSA-N 2 2 299.459 0.796 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C[C@H](O)C2CC2)C1 ZINC000840748917 614098613 /nfs/dbraw/zinc/09/86/13/614098613.db2.gz MEDAOEKMLTWIIW-KBPBESRZSA-N 2 2 256.390 0.704 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C[C@H](O)C2CC2)C1 ZINC000840748917 614098615 /nfs/dbraw/zinc/09/86/15/614098615.db2.gz MEDAOEKMLTWIIW-KBPBESRZSA-N 2 2 256.390 0.704 20 0 CCADLP CC(C)C[C@@](C)(C[NH3+])NC(=O)C[C@@H]([NH3+])C(F)F ZINC000911830025 614207887 /nfs/dbraw/zinc/20/78/87/614207887.db2.gz NRCSOBGHMVDLTL-KCJUWKMLSA-N 2 2 251.321 0.849 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H](NC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000867458028 614337138 /nfs/dbraw/zinc/33/71/38/614337138.db2.gz IIJKRKJUUIBCHY-ZDTYVGOBSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H](NC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000867458028 614337140 /nfs/dbraw/zinc/33/71/40/614337140.db2.gz IIJKRKJUUIBCHY-ZDTYVGOBSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000827911005 614351278 /nfs/dbraw/zinc/35/12/78/614351278.db2.gz OXTORTLTWOPKLA-KGLIPLIRSA-N 2 2 291.399 0.755 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000934593990 614351392 /nfs/dbraw/zinc/35/13/92/614351392.db2.gz TXKPFXCLCFGHRW-CABCVRRESA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000934593990 614351393 /nfs/dbraw/zinc/35/13/93/614351393.db2.gz TXKPFXCLCFGHRW-CABCVRRESA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000949432805 614356729 /nfs/dbraw/zinc/35/67/29/614356729.db2.gz ZJGWTZWNPYPAHN-UHFFFAOYSA-N 2 2 264.373 0.905 20 0 CCADLP CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000961892554 614412089 /nfs/dbraw/zinc/41/20/89/614412089.db2.gz VNAQWMFEMKULAN-IMRBUKKESA-N 2 2 262.357 0.799 20 0 CCADLP CCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000961892554 614412092 /nfs/dbraw/zinc/41/20/92/614412092.db2.gz VNAQWMFEMKULAN-IMRBUKKESA-N 2 2 262.357 0.799 20 0 CCADLP CC1(C)CC[N@H+](CCNC(=O)NCCn2cc[nH+]c2)C1 ZINC000891558491 614543670 /nfs/dbraw/zinc/54/36/70/614543670.db2.gz LNNRKGMXGCHCMO-UHFFFAOYSA-N 2 2 279.388 0.914 20 0 CCADLP CC1(C)CC[N@@H+](CCNC(=O)NCCn2cc[nH+]c2)C1 ZINC000891558491 614543676 /nfs/dbraw/zinc/54/36/76/614543676.db2.gz LNNRKGMXGCHCMO-UHFFFAOYSA-N 2 2 279.388 0.914 20 0 CCADLP CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C1C[NH+](CCO)C1 ZINC000957279582 614624069 /nfs/dbraw/zinc/62/40/69/614624069.db2.gz YHYVYMXRKNGGLZ-KGLIPLIRSA-N 2 2 297.443 0.632 20 0 CCADLP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH+]2CCO[C@H](C)C2)C1 ZINC000906488737 614669245 /nfs/dbraw/zinc/66/92/45/614669245.db2.gz NMYASCWCGLSYTF-CABCVRRESA-N 2 2 297.443 0.945 20 0 CCADLP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH+]2CCO[C@H](C)C2)C1 ZINC000906488737 614669247 /nfs/dbraw/zinc/66/92/47/614669247.db2.gz NMYASCWCGLSYTF-CABCVRRESA-N 2 2 297.443 0.945 20 0 CCADLP CCC[NH+]1CCC[C@H](C(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000906488737 614669250 /nfs/dbraw/zinc/66/92/50/614669250.db2.gz NMYASCWCGLSYTF-CABCVRRESA-N 2 2 297.443 0.945 20 0 CCADLP CCC[NH+]1CCC[C@H](C(=O)NCC[N@H+]2CCO[C@H](C)C2)C1 ZINC000906488737 614669253 /nfs/dbraw/zinc/66/92/53/614669253.db2.gz NMYASCWCGLSYTF-CABCVRRESA-N 2 2 297.443 0.945 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868311825 614681412 /nfs/dbraw/zinc/68/14/12/614681412.db2.gz FCFDHOWQJZGZPN-VOKGJARPSA-N 2 2 295.427 0.865 20 0 CCADLP CCC[N@H+]1CCC[C@H]1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000868311825 614681414 /nfs/dbraw/zinc/68/14/14/614681414.db2.gz FCFDHOWQJZGZPN-VOKGJARPSA-N 2 2 295.427 0.865 20 0 CCADLP CCC1([NH+]2CCC2)CC[NH+](CCN2CCNC2=O)CC1 ZINC000886717821 614705478 /nfs/dbraw/zinc/70/54/78/614705478.db2.gz JTMDTPNKFNYKRD-UHFFFAOYSA-N 2 2 280.416 0.962 20 0 CCADLP CC1(C)NC(=O)N(CC[N@@H+]2CC[NH2+]CCC23CCC3)C1=O ZINC000883458599 614804732 /nfs/dbraw/zinc/80/47/32/614804732.db2.gz PTJXVLVOOVQMBT-UHFFFAOYSA-N 2 2 294.399 0.535 20 0 CCADLP CC1(C)NC(=O)N(CC[N@H+]2CC[NH2+]CCC23CCC3)C1=O ZINC000883458599 614804736 /nfs/dbraw/zinc/80/47/36/614804736.db2.gz PTJXVLVOOVQMBT-UHFFFAOYSA-N 2 2 294.399 0.535 20 0 CCADLP CC1(C)NC(=O)N(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)C1=O ZINC000903487012 614805387 /nfs/dbraw/zinc/80/53/87/614805387.db2.gz ZSXXCHGNESYFQA-NSHDSACASA-N 2 2 294.399 0.581 20 0 CCADLP CC(C)(CC[NH2+][C@@H]1CC[NH2+]C1(C)C)S(C)(=O)=O ZINC000925693433 614808003 /nfs/dbraw/zinc/80/80/03/614808003.db2.gz BVLBGGSOSPMVIA-SNVBAGLBSA-N 2 2 262.419 0.930 20 0 CCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC000925675135 614808790 /nfs/dbraw/zinc/80/87/90/614808790.db2.gz VZZQROLFSBBMCI-GHMZBOCLSA-N 2 2 260.403 0.541 20 0 CCADLP CC1(C)OCC([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CO1 ZINC000848545407 614815589 /nfs/dbraw/zinc/81/55/89/614815589.db2.gz DTUOZAXSBGDEJZ-CQSZACIVSA-N 2 2 284.400 0.981 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000876966149 614844001 /nfs/dbraw/zinc/84/40/01/614844001.db2.gz NWYSRCJCTJYXGI-YNEHKIRRSA-N 2 2 281.400 0.293 20 0 CCADLP CCCNC(=O)C[NH+]1CCC(N[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000925543643 614850511 /nfs/dbraw/zinc/85/05/11/614850511.db2.gz NJCVKKZJTHDWIH-DZGCQCFKSA-N 2 2 296.459 0.707 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](Cc2nc(C)no2)C1 ZINC000933563287 614851327 /nfs/dbraw/zinc/85/13/27/614851327.db2.gz ANXNQUXBDONSPE-UONOGXRCSA-N 2 2 296.415 0.945 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](Cc2nc(C)no2)C1 ZINC000933563287 614851330 /nfs/dbraw/zinc/85/13/30/614851330.db2.gz ANXNQUXBDONSPE-UONOGXRCSA-N 2 2 296.415 0.945 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](Cc2nc(C)no2)C1 ZINC000933563287 614851332 /nfs/dbraw/zinc/85/13/32/614851332.db2.gz ANXNQUXBDONSPE-UONOGXRCSA-N 2 2 296.415 0.945 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](Cc2nc(C)no2)C1 ZINC000933563287 614851335 /nfs/dbraw/zinc/85/13/35/614851335.db2.gz ANXNQUXBDONSPE-UONOGXRCSA-N 2 2 296.415 0.945 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000884361650 614852115 /nfs/dbraw/zinc/85/21/15/614852115.db2.gz WTKJUBFYEONGBH-MJBXVCDLSA-N 2 2 295.427 0.872 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000884361650 614852117 /nfs/dbraw/zinc/85/21/17/614852117.db2.gz WTKJUBFYEONGBH-MJBXVCDLSA-N 2 2 295.427 0.872 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)OC)CC1 ZINC000852766010 614866396 /nfs/dbraw/zinc/86/63/96/614866396.db2.gz YSCZSBPCDAMBSG-LBPRGKRZSA-N 2 2 273.377 0.119 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)OC)CC1 ZINC000852766010 614866397 /nfs/dbraw/zinc/86/63/97/614866397.db2.gz YSCZSBPCDAMBSG-LBPRGKRZSA-N 2 2 273.377 0.119 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880585411 614867155 /nfs/dbraw/zinc/86/71/55/614867155.db2.gz RPRWTDUCLVQXER-KBPBESRZSA-N 2 2 286.416 0.162 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880585411 614867157 /nfs/dbraw/zinc/86/71/57/614867157.db2.gz RPRWTDUCLVQXER-KBPBESRZSA-N 2 2 286.416 0.162 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880585411 614867159 /nfs/dbraw/zinc/86/71/59/614867159.db2.gz RPRWTDUCLVQXER-KBPBESRZSA-N 2 2 286.416 0.162 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880585411 614867160 /nfs/dbraw/zinc/86/71/60/614867160.db2.gz RPRWTDUCLVQXER-KBPBESRZSA-N 2 2 286.416 0.162 20 0 CCADLP CCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC000939400423 614904478 /nfs/dbraw/zinc/90/44/78/614904478.db2.gz NJHFHUBCFXLNOJ-WDEREUQCSA-N 2 2 250.346 0.799 20 0 CCADLP CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000980453509 614909342 /nfs/dbraw/zinc/90/93/42/614909342.db2.gz BHLWUUCGVQIUIM-LSDHHAIUSA-N 2 2 295.427 0.650 20 0 CCADLP CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000980453509 614909344 /nfs/dbraw/zinc/90/93/44/614909344.db2.gz BHLWUUCGVQIUIM-LSDHHAIUSA-N 2 2 295.427 0.650 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913446351 614988079 /nfs/dbraw/zinc/98/80/79/614988079.db2.gz YUWNNENOMPQRSS-LBPRGKRZSA-N 2 2 265.361 0.224 20 0 CCADLP CCCC[NH+]1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000957331120 614993145 /nfs/dbraw/zinc/99/31/45/614993145.db2.gz YBFRYEMGXNDSIU-UHFFFAOYSA-N 2 2 264.373 0.907 20 0 CCADLP CCN(OC)C(=O)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000848918850 615075799 /nfs/dbraw/zinc/07/57/99/615075799.db2.gz AMELVLXQHOYIBC-CQSZACIVSA-N 2 2 299.415 0.629 20 0 CCADLP CC[NH2+]CC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848432315 615078752 /nfs/dbraw/zinc/07/87/52/615078752.db2.gz ZEZQQRIQLGWKGM-SDDRHHMPSA-N 2 2 257.378 0.210 20 0 CCADLP CC[NH2+]CC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848432315 615078754 /nfs/dbraw/zinc/07/87/54/615078754.db2.gz ZEZQQRIQLGWKGM-SDDRHHMPSA-N 2 2 257.378 0.210 20 0 CCADLP CC[NH2+]CC1CC(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000962006546 615081237 /nfs/dbraw/zinc/08/12/37/615081237.db2.gz PIQXDYCRNOJOAV-OTTFEQOBSA-N 2 2 276.384 0.950 20 0 CCADLP CC[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC000960187669 615088731 /nfs/dbraw/zinc/08/87/31/615088731.db2.gz HAYBXIBWONDAQE-LBPRGKRZSA-N 2 2 264.373 0.953 20 0 CCADLP CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000969997744 615090182 /nfs/dbraw/zinc/09/01/82/615090182.db2.gz OWGMXJXYVUBUFG-NEPJUHHUSA-N 2 2 276.384 0.902 20 0 CCADLP CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000984089621 615093891 /nfs/dbraw/zinc/09/38/91/615093891.db2.gz HIJHZNTVSARLSM-JHJVBQTASA-N 2 2 276.384 0.950 20 0 CCADLP CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000984096349 615094160 /nfs/dbraw/zinc/09/41/60/615094160.db2.gz ZONCZQRZHGFETC-JHJVBQTASA-N 2 2 276.384 0.950 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cn(C)c[nH+]1 ZINC000849040244 615144994 /nfs/dbraw/zinc/14/49/94/615144994.db2.gz OFEGUXCLZANFJE-ZDUSSCGKSA-N 3 2 278.404 0.561 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cn(C)c[nH+]1 ZINC000849040244 615144995 /nfs/dbraw/zinc/14/49/95/615144995.db2.gz OFEGUXCLZANFJE-ZDUSSCGKSA-N 3 2 278.404 0.561 20 0 CCADLP CCOCCCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872151506 615245035 /nfs/dbraw/zinc/24/50/35/615245035.db2.gz DKQFABUAPOPWMF-VNHYZAJKSA-N 2 2 283.416 0.459 20 0 CCADLP CCOCCCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872151506 615245036 /nfs/dbraw/zinc/24/50/36/615245036.db2.gz DKQFABUAPOPWMF-VNHYZAJKSA-N 2 2 283.416 0.459 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000883144355 615321514 /nfs/dbraw/zinc/32/15/14/615321514.db2.gz MJOBIDFNBPPFPE-NEPJUHHUSA-N 2 2 265.361 0.665 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000883144355 615321515 /nfs/dbraw/zinc/32/15/15/615321515.db2.gz MJOBIDFNBPPFPE-NEPJUHHUSA-N 2 2 265.361 0.665 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000882489282 615323354 /nfs/dbraw/zinc/32/33/54/615323354.db2.gz PWWBQPDXIQXRLF-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000882489282 615323357 /nfs/dbraw/zinc/32/33/57/615323357.db2.gz PWWBQPDXIQXRLF-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000863546626 615326597 /nfs/dbraw/zinc/32/65/97/615326597.db2.gz LUSYEZFGZJHFFR-WISYIIOYSA-N 2 2 255.362 0.010 20 0 CCADLP CCON(C)C(=O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000846064995 615337971 /nfs/dbraw/zinc/33/79/71/615337971.db2.gz PMBVSKGCPIMXKG-NEPJUHHUSA-N 2 2 255.362 0.613 20 0 CCADLP CCON(C)C(=O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000846064995 615337973 /nfs/dbraw/zinc/33/79/73/615337973.db2.gz PMBVSKGCPIMXKG-NEPJUHHUSA-N 2 2 255.362 0.613 20 0 CCADLP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000961738037 615439323 /nfs/dbraw/zinc/43/93/23/615439323.db2.gz SGPCPULRLSQMPJ-DCQANWLSSA-N 2 2 274.368 0.896 20 0 CCADLP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000961738037 615439325 /nfs/dbraw/zinc/43/93/25/615439325.db2.gz SGPCPULRLSQMPJ-DCQANWLSSA-N 2 2 274.368 0.896 20 0 CCADLP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000960645355 615440467 /nfs/dbraw/zinc/44/04/67/615440467.db2.gz GEGNHJJYHOWUQX-UUIJZJDISA-N 2 2 288.395 0.889 20 0 CCADLP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000960645355 615440469 /nfs/dbraw/zinc/44/04/69/615440469.db2.gz GEGNHJJYHOWUQX-UUIJZJDISA-N 2 2 288.395 0.889 20 0 CCADLP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000960645355 615440471 /nfs/dbraw/zinc/44/04/71/615440471.db2.gz GEGNHJJYHOWUQX-UUIJZJDISA-N 2 2 288.395 0.889 20 0 CCADLP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000960645355 615440474 /nfs/dbraw/zinc/44/04/74/615440474.db2.gz GEGNHJJYHOWUQX-UUIJZJDISA-N 2 2 288.395 0.889 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)Cn1c[nH+]cc1C ZINC000928651678 615477584 /nfs/dbraw/zinc/47/75/84/615477584.db2.gz QQEPDTDUCAEOOO-ZDUSSCGKSA-N 2 2 280.372 0.419 20 0 CCADLP CCO[C@H](CNC(=O)NCCc1cn(C)c[nH+]1)C[NH+](C)C ZINC000922822159 615481798 /nfs/dbraw/zinc/48/17/98/615481798.db2.gz MRSXWGMTURCAMO-CYBMUJFWSA-N 2 2 297.403 0.229 20 0 CCADLP CCO[C@H](C[NH2+]C[C@@H](O)CSC)C[NH+](C)C ZINC000905577806 615483899 /nfs/dbraw/zinc/48/38/99/615483899.db2.gz BSVUXEWCEZVFGB-GHMZBOCLSA-N 2 2 250.408 0.267 20 0 CCADLP CCO[C@H](C[NH2+]Cc1ccc(=O)[nH]c1)C[NH+](C)C ZINC000922755968 615483991 /nfs/dbraw/zinc/48/39/91/615483991.db2.gz JPBCAUYCKIPMGN-GFCCVEGCSA-N 2 2 253.346 0.844 20 0 CCADLP CC[C@@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)[C@@H]1CCC[NH2+]1 ZINC000925775300 615535405 /nfs/dbraw/zinc/53/54/05/615535405.db2.gz PMIFRLGMFOHSJS-NEPJUHHUSA-N 2 2 289.445 0.531 20 0 CCADLP CC[C@H](C(=O)NC[C@@H]([NH3+])C(C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000911827714 615565238 /nfs/dbraw/zinc/56/52/38/615565238.db2.gz WMBQOCZGZYLHEK-MGPQQGTHSA-N 2 2 285.432 0.975 20 0 CCADLP CC[C@H](C(=O)NC[C@@H]([NH3+])C(C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000911827714 615565239 /nfs/dbraw/zinc/56/52/39/615565239.db2.gz WMBQOCZGZYLHEK-MGPQQGTHSA-N 2 2 285.432 0.975 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000877435156 615579512 /nfs/dbraw/zinc/57/95/12/615579512.db2.gz XYXAFSMQVKXTOT-RDBSUJKOSA-N 2 2 283.416 0.602 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000877435156 615579513 /nfs/dbraw/zinc/57/95/13/615579513.db2.gz XYXAFSMQVKXTOT-RDBSUJKOSA-N 2 2 283.416 0.602 20 0 CCADLP CC[C@@H]1OCC[C@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000824956767 615582771 /nfs/dbraw/zinc/58/27/71/615582771.db2.gz JGEMCFOALQJISZ-KGLIPLIRSA-N 2 2 285.432 0.801 20 0 CCADLP CC[C@@H]1OCC[C@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000824956767 615582772 /nfs/dbraw/zinc/58/27/72/615582772.db2.gz JGEMCFOALQJISZ-KGLIPLIRSA-N 2 2 285.432 0.801 20 0 CCADLP CC[C@@](C)(O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000932713866 615590384 /nfs/dbraw/zinc/59/03/84/615590384.db2.gz TWPIWUJARFWZTQ-OAHLLOKOSA-N 2 2 285.432 0.632 20 0 CCADLP CC[C@@](C)(O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000932713866 615590385 /nfs/dbraw/zinc/59/03/85/615590385.db2.gz TWPIWUJARFWZTQ-OAHLLOKOSA-N 2 2 285.432 0.632 20 0 CCADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)CC(C)(C)O ZINC000872203690 615711565 /nfs/dbraw/zinc/71/15/65/615711565.db2.gz AVXCBVIMGRTZAS-CHWSQXEVSA-N 2 2 258.406 0.972 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[N@H+](C)CC1 ZINC000925572202 615715908 /nfs/dbraw/zinc/71/59/08/615715908.db2.gz HBTVWWRCAHQNIT-CQSZACIVSA-N 2 2 298.431 0.444 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[N@@H+](C)CC1 ZINC000925572202 615715911 /nfs/dbraw/zinc/71/59/11/615715911.db2.gz HBTVWWRCAHQNIT-CQSZACIVSA-N 2 2 298.431 0.444 20 0 CCADLP CC[C@H](CO)Nc1cc(NC[C@@](C)(O)C[NH+](C)C)[nH+]cn1 ZINC000892955266 615739770 /nfs/dbraw/zinc/73/97/70/615739770.db2.gz IAVWAOWCNXBXKO-BXUZGUMPSA-N 2 2 297.403 0.384 20 0 CCADLP CC[C@H](CO)Nc1cc(NC[C@@](C)(O)C[NH+](C)C)nc[nH+]1 ZINC000892955266 615739772 /nfs/dbraw/zinc/73/97/72/615739772.db2.gz IAVWAOWCNXBXKO-BXUZGUMPSA-N 2 2 297.403 0.384 20 0 CCADLP CC[C@H](O)[C@H](C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000912386757 615841088 /nfs/dbraw/zinc/84/10/88/615841088.db2.gz IOWZLMVTRAAJQT-STQMWFEESA-N 2 2 273.421 0.393 20 0 CCADLP CC[C@H](O)[C@H](C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000912386757 615841090 /nfs/dbraw/zinc/84/10/90/615841090.db2.gz IOWZLMVTRAAJQT-STQMWFEESA-N 2 2 273.421 0.393 20 0 CCADLP C[NH+](C)C1CC(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000857227611 615854292 /nfs/dbraw/zinc/85/42/92/615854292.db2.gz QSMPVGMXZAASIW-XSRFYTQQSA-N 2 2 262.357 0.654 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)/C=C\C1CC1 ZINC000855414667 615878549 /nfs/dbraw/zinc/87/85/49/615878549.db2.gz JHLFJVHEFAMYQJ-FPLPWBNLSA-N 2 2 253.390 0.952 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)/C=C\C1CC1 ZINC000855414667 615878552 /nfs/dbraw/zinc/87/85/52/615878552.db2.gz JHLFJVHEFAMYQJ-FPLPWBNLSA-N 2 2 253.390 0.952 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C=C1CC[NH2+]CC1 ZINC000852903260 615878852 /nfs/dbraw/zinc/87/88/52/615878852.db2.gz WYAYBBXTZBOUKC-UHFFFAOYSA-N 3 2 282.432 0.296 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C=C1CC[NH2+]CC1 ZINC000852903260 615878856 /nfs/dbraw/zinc/87/88/56/615878856.db2.gz WYAYBBXTZBOUKC-UHFFFAOYSA-N 3 2 282.432 0.296 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ncccn1 ZINC000888707721 615879217 /nfs/dbraw/zinc/87/92/17/615879217.db2.gz NYHNUQHKHPOELS-UHFFFAOYSA-N 2 2 280.376 0.482 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ncccn1 ZINC000888707721 615879218 /nfs/dbraw/zinc/87/92/18/615879218.db2.gz NYHNUQHKHPOELS-UHFFFAOYSA-N 2 2 280.376 0.482 20 0 CCADLP C[NH+](C)CCONC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000844145294 615908104 /nfs/dbraw/zinc/90/81/04/615908104.db2.gz SXBGAVPUIJEMDC-SNVBAGLBSA-N 2 2 252.318 0.055 20 0 CCADLP CC[C@H](C(=O)N1CC[C@@H]([NH3+])C1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000911652409 615917916 /nfs/dbraw/zinc/91/79/16/615917916.db2.gz RBMLLBLAEFDAMV-FRRDWIJNSA-N 2 2 269.389 0.435 20 0 CCADLP CC[C@H](C(=O)N1CC[C@@H]([NH3+])C1)[N@H+]1CCO[C@@H](CC)C1 ZINC000911652409 615917918 /nfs/dbraw/zinc/91/79/18/615917918.db2.gz RBMLLBLAEFDAMV-FRRDWIJNSA-N 2 2 269.389 0.435 20 0 CCADLP C[NH+](C)CCn1nccc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000900647440 615920904 /nfs/dbraw/zinc/92/09/04/615920904.db2.gz QLLJVADASVCTGV-UHFFFAOYSA-N 2 2 276.344 0.140 20 0 CCADLP C[NH+](C)C[C@H](N)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000876747140 615939460 /nfs/dbraw/zinc/93/94/60/615939460.db2.gz WYLIUVLWYCOLBZ-NSHDSACASA-N 2 2 265.361 0.005 20 0 CCADLP C[NH+](C)Cc1cc(NC(=O)NC[C@H]2CC[N@@H+]2C)ccn1 ZINC000932174943 615953092 /nfs/dbraw/zinc/95/30/92/615953092.db2.gz QRNVPEAZKOSCSU-CYBMUJFWSA-N 2 2 277.372 0.969 20 0 CCADLP C[NH+](C)Cc1cc(NC(=O)NC[C@H]2CC[N@H+]2C)ccn1 ZINC000932174943 615953095 /nfs/dbraw/zinc/95/30/95/615953095.db2.gz QRNVPEAZKOSCSU-CYBMUJFWSA-N 2 2 277.372 0.969 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H]1CO)c1ccccc1 ZINC000934017407 615974134 /nfs/dbraw/zinc/97/41/34/615974134.db2.gz QSTOGLHIXNZTAZ-GJZGRUSLSA-N 2 2 291.395 0.472 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@H]1CO)c1ccccc1 ZINC000934017407 615974137 /nfs/dbraw/zinc/97/41/37/615974137.db2.gz QSTOGLHIXNZTAZ-GJZGRUSLSA-N 2 2 291.395 0.472 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900958090 615977287 /nfs/dbraw/zinc/97/72/87/615977287.db2.gz KVEGKIOEIOICSO-ZYHUDNBSSA-N 2 2 250.346 0.941 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000875344494 615978599 /nfs/dbraw/zinc/97/85/99/615978599.db2.gz ANOIOGRYWUGZRF-YNEHKIRRSA-N 2 2 291.399 0.980 20 0 CCADLP CN(C)c1cc[nH+]cc1C[NH2+]C1CC(CC(N)=O)C1 ZINC000922510940 616030652 /nfs/dbraw/zinc/03/06/52/616030652.db2.gz IIPMXEQPSNWLLL-UHFFFAOYSA-N 2 2 262.357 0.891 20 0 CCADLP C[N@H+](CC1CC1)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972618033 616061336 /nfs/dbraw/zinc/06/13/36/616061336.db2.gz HJIKTDIOCRDGKY-GFCCVEGCSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@@H+](CC1CC1)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972618033 616061337 /nfs/dbraw/zinc/06/13/37/616061337.db2.gz HJIKTDIOCRDGKY-GFCCVEGCSA-N 2 2 262.357 0.895 20 0 CCADLP CN(CCC[NH+]1CCCC1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000868016496 616074481 /nfs/dbraw/zinc/07/44/81/616074481.db2.gz NUUVWDIUNHTXDS-GFCCVEGCSA-N 2 2 266.345 0.387 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000831405852 616076529 /nfs/dbraw/zinc/07/65/29/616076529.db2.gz CDQFWBJJVJBFCN-GFCCVEGCSA-N 2 2 254.309 0.433 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884323541 616076543 /nfs/dbraw/zinc/07/65/43/616076543.db2.gz RWORVTCFCIEIJO-LBPRGKRZSA-N 2 2 250.346 0.859 20 0 CCADLP CN(CC[NH3+])C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000892616908 616084740 /nfs/dbraw/zinc/08/47/40/616084740.db2.gz XVVMKLIBRXSOOE-CYBMUJFWSA-N 2 2 262.357 0.773 20 0 CCADLP CN(CC[NH3+])C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000892616908 616084741 /nfs/dbraw/zinc/08/47/41/616084741.db2.gz XVVMKLIBRXSOOE-CYBMUJFWSA-N 2 2 262.357 0.773 20 0 CCADLP C[N@@H+](Cc1ccon1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903733208 616087867 /nfs/dbraw/zinc/08/78/67/616087867.db2.gz IYZLHMNIICFMIP-OLZOCXBDSA-N 2 2 251.330 0.875 20 0 CCADLP C[N@H+](Cc1ccon1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903733208 616087869 /nfs/dbraw/zinc/08/78/69/616087869.db2.gz IYZLHMNIICFMIP-OLZOCXBDSA-N 2 2 251.330 0.875 20 0 CCADLP C[N@@H+](Cc1ncc[nH]1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903777758 616105901 /nfs/dbraw/zinc/10/59/01/616105901.db2.gz DNFHZUSFYPCUSU-AAEUAGOBSA-N 2 2 250.346 0.610 20 0 CCADLP C[N@H+](Cc1ncc[nH]1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903777758 616105902 /nfs/dbraw/zinc/10/59/02/616105902.db2.gz DNFHZUSFYPCUSU-AAEUAGOBSA-N 2 2 250.346 0.610 20 0 CCADLP C[N@@H+](Cc1nnc2ccccn21)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923324278 616110077 /nfs/dbraw/zinc/11/00/77/616110077.db2.gz RTCASYOFDDCRBJ-GFCCVEGCSA-N 2 2 287.367 0.540 20 0 CCADLP C[N@H+](Cc1nnc2ccccn21)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923324278 616110078 /nfs/dbraw/zinc/11/00/78/616110078.db2.gz RTCASYOFDDCRBJ-GFCCVEGCSA-N 2 2 287.367 0.540 20 0 CCADLP C[N@H+](C[C@@H]1CCS(=O)(=O)C1)C[C@H]1CCCC[NH2+]C1 ZINC000903733695 616151694 /nfs/dbraw/zinc/15/16/94/616151694.db2.gz MQWIKPZEBQUWBW-STQMWFEESA-N 2 2 274.430 0.743 20 0 CCADLP C[N@@H+](C[C@@H]1CCS(=O)(=O)C1)C[C@H]1CCCC[NH2+]C1 ZINC000903733695 616151695 /nfs/dbraw/zinc/15/16/95/616151695.db2.gz MQWIKPZEBQUWBW-STQMWFEESA-N 2 2 274.430 0.743 20 0 CCADLP CN1CC(=O)N(CC[NH+]2CCC(C)([NH+]3CCC3)CC2)C1=O ZINC000880474567 616161087 /nfs/dbraw/zinc/16/10/87/616161087.db2.gz JUOXJMVHUWTZQD-UHFFFAOYSA-N 2 2 294.399 0.441 20 0 CCADLP C[NH+]1CCC(CNC(=O)CCO)([NH+]2CCCCC2)CC1 ZINC000902879873 616169895 /nfs/dbraw/zinc/16/98/95/616169895.db2.gz WMCRLCNXZRHHCT-UHFFFAOYSA-N 2 2 283.416 0.435 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CCC23CC[NH+](C)CC3)c1 ZINC000895291452 616176643 /nfs/dbraw/zinc/17/66/43/616176643.db2.gz LNYKIINDMBRLHD-UHFFFAOYSA-N 2 2 291.399 0.842 20 0 CCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC000901103115 616197894 /nfs/dbraw/zinc/19/78/94/616197894.db2.gz BBUFVLNXWRYIQZ-YPMHNXCESA-N 2 2 262.357 0.895 20 0 CCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC000901103115 616197895 /nfs/dbraw/zinc/19/78/95/616197895.db2.gz BBUFVLNXWRYIQZ-YPMHNXCESA-N 2 2 262.357 0.895 20 0 CCADLP C[N@@H+]1C[C@@H]2C[NH+](CCC(=O)N3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC000933733056 616222346 /nfs/dbraw/zinc/22/23/46/616222346.db2.gz ZXAXDRIDQALLLU-ZBFHGGJFSA-N 3 2 294.443 0.034 20 0 CCADLP C[N@H+]1C[C@@H]2C[NH+](CCC(=O)N3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC000933733056 616222347 /nfs/dbraw/zinc/22/23/47/616222347.db2.gz ZXAXDRIDQALLLU-ZBFHGGJFSA-N 3 2 294.443 0.034 20 0 CCADLP C[NH+]1C[C@@H]2C[N@H+](CCC(=O)N3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC000933733056 616222348 /nfs/dbraw/zinc/22/23/48/616222348.db2.gz ZXAXDRIDQALLLU-ZBFHGGJFSA-N 3 2 294.443 0.034 20 0 CCADLP C[NH+]1C[C@@H]2C[N@@H+](CCC(=O)N3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC000933733056 616222349 /nfs/dbraw/zinc/22/23/49/616222349.db2.gz ZXAXDRIDQALLLU-ZBFHGGJFSA-N 3 2 294.443 0.034 20 0 CCADLP CN1CCN(C(=O)CC[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)CC1 ZINC000933733056 616222350 /nfs/dbraw/zinc/22/23/50/616222350.db2.gz ZXAXDRIDQALLLU-ZBFHGGJFSA-N 2 2 294.443 0.034 20 0 CCADLP CN1CCN(C(=O)CC[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)CC1 ZINC000933733056 616222351 /nfs/dbraw/zinc/22/23/51/616222351.db2.gz ZXAXDRIDQALLLU-ZBFHGGJFSA-N 2 2 294.443 0.034 20 0 CCADLP CN1CCN(C(=O)CC[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)CC1 ZINC000933733056 616222352 /nfs/dbraw/zinc/22/23/52/616222352.db2.gz ZXAXDRIDQALLLU-ZBFHGGJFSA-N 2 2 294.443 0.034 20 0 CCADLP CN1CCN(C(=O)CC[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)CC1 ZINC000933733056 616222353 /nfs/dbraw/zinc/22/23/53/616222353.db2.gz ZXAXDRIDQALLLU-ZBFHGGJFSA-N 2 2 294.443 0.034 20 0 CCADLP C[NH+]1CCN(C2CC[NH+](Cc3cn[nH]c3)CC2)CC1 ZINC000877746974 616239231 /nfs/dbraw/zinc/23/92/31/616239231.db2.gz PRKHKFQZFYCLNP-UHFFFAOYSA-N 2 2 263.389 0.622 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC3(C2)CCC[NH+](CCF)C3)C1 ZINC000981685850 616251076 /nfs/dbraw/zinc/25/10/76/616251076.db2.gz BXCFYIZRYMKYAJ-CYBMUJFWSA-N 2 2 299.390 0.211 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2CC3(C2)CCC[NH+](CCF)C3)C1 ZINC000981685850 616251077 /nfs/dbraw/zinc/25/10/77/616251077.db2.gz BXCFYIZRYMKYAJ-CYBMUJFWSA-N 2 2 299.390 0.211 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2CC3(C2)CCC[N@H+](CCF)C3)C1 ZINC000981685850 616251078 /nfs/dbraw/zinc/25/10/78/616251078.db2.gz BXCFYIZRYMKYAJ-CYBMUJFWSA-N 2 2 299.390 0.211 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2CC3(C2)CCC[N@@H+](CCF)C3)C1 ZINC000981685850 616251079 /nfs/dbraw/zinc/25/10/79/616251079.db2.gz BXCFYIZRYMKYAJ-CYBMUJFWSA-N 2 2 299.390 0.211 20 0 CCADLP C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000928564573 616297692 /nfs/dbraw/zinc/29/76/92/616297692.db2.gz VHXGRIPGJHUJMV-CABCVRRESA-N 2 2 288.395 0.866 20 0 CCADLP C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000928564573 616297695 /nfs/dbraw/zinc/29/76/95/616297695.db2.gz VHXGRIPGJHUJMV-CABCVRRESA-N 2 2 288.395 0.866 20 0 CCADLP C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000928564573 616297699 /nfs/dbraw/zinc/29/76/99/616297699.db2.gz VHXGRIPGJHUJMV-CABCVRRESA-N 2 2 288.395 0.866 20 0 CCADLP C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000928564573 616297702 /nfs/dbraw/zinc/29/77/02/616297702.db2.gz VHXGRIPGJHUJMV-CABCVRRESA-N 2 2 288.395 0.866 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)CNc3cccc[nH+]3)C[C@@H]2C1 ZINC000908292731 616315554 /nfs/dbraw/zinc/31/55/54/616315554.db2.gz LUNMKQDSSIXOTQ-OLZOCXBDSA-N 2 2 274.368 0.904 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)CNc3cccc[nH+]3)C[C@@H]2C1 ZINC000908292731 616315560 /nfs/dbraw/zinc/31/55/60/616315560.db2.gz LUNMKQDSSIXOTQ-OLZOCXBDSA-N 2 2 274.368 0.904 20 0 CCADLP COC(C[N@H+](CCCO)CCc1c[nH+]cn1C)OC ZINC000878395390 616316124 /nfs/dbraw/zinc/31/61/24/616316124.db2.gz CDZNQVBQIACZDU-UHFFFAOYSA-N 2 2 271.361 0.266 20 0 CCADLP COC(C[N@@H+](CCCO)CCc1c[nH+]cn1C)OC ZINC000878395390 616316129 /nfs/dbraw/zinc/31/61/29/616316129.db2.gz CDZNQVBQIACZDU-UHFFFAOYSA-N 2 2 271.361 0.266 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868624321 616319044 /nfs/dbraw/zinc/31/90/44/616319044.db2.gz QQNDPVCGUWIUJT-DGCLKSJQSA-N 2 2 277.372 0.656 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000868624321 616319048 /nfs/dbraw/zinc/31/90/48/616319048.db2.gz QQNDPVCGUWIUJT-DGCLKSJQSA-N 2 2 277.372 0.656 20 0 CCADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000866777139 616343280 /nfs/dbraw/zinc/34/32/80/616343280.db2.gz PKYCHEUFCXQXSP-RTXFEEFZSA-N 2 2 278.356 0.386 20 0 CCADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000866777139 616343284 /nfs/dbraw/zinc/34/32/84/616343284.db2.gz PKYCHEUFCXQXSP-RTXFEEFZSA-N 2 2 278.356 0.386 20 0 CCADLP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000924756305 616362853 /nfs/dbraw/zinc/36/28/53/616362853.db2.gz NYIRDOQHIXZZRM-MZBDJJRSSA-N 3 2 281.444 0.763 20 0 CCADLP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000924756305 616362859 /nfs/dbraw/zinc/36/28/59/616362859.db2.gz NYIRDOQHIXZZRM-MZBDJJRSSA-N 3 2 281.444 0.763 20 0 CCADLP C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+]1CCOCC1 ZINC000913534776 616366315 /nfs/dbraw/zinc/36/63/15/616366315.db2.gz KHDFJOKGVJEOOY-GASCZTMLSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+]1CCOCC1 ZINC000913534776 616366319 /nfs/dbraw/zinc/36/63/19/616366319.db2.gz KHDFJOKGVJEOOY-GASCZTMLSA-N 2 2 295.427 0.794 20 0 CCADLP COCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968701346 616380078 /nfs/dbraw/zinc/38/00/78/616380078.db2.gz GAYCMQUHKAXXAC-OLZOCXBDSA-N 2 2 280.372 0.356 20 0 CCADLP COCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000968701346 616380081 /nfs/dbraw/zinc/38/00/81/616380081.db2.gz GAYCMQUHKAXXAC-OLZOCXBDSA-N 2 2 280.372 0.356 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@H](C)O1 ZINC000903768710 616395377 /nfs/dbraw/zinc/39/53/77/616395377.db2.gz PVQHWHOSWLPZIA-SFDCQRBFSA-N 2 2 298.383 0.017 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@H](C)O1 ZINC000903768710 616395382 /nfs/dbraw/zinc/39/53/82/616395382.db2.gz PVQHWHOSWLPZIA-SFDCQRBFSA-N 2 2 298.383 0.017 20 0 CCADLP C[N@@H+]1CC[C@H]1CNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000925408159 616424551 /nfs/dbraw/zinc/42/45/51/616424551.db2.gz PEVFGGBMLGWNFU-LBPRGKRZSA-N 2 2 252.362 0.180 20 0 CCADLP C[N@H+]1CC[C@H]1CNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000925408159 616424553 /nfs/dbraw/zinc/42/45/53/616424553.db2.gz PEVFGGBMLGWNFU-LBPRGKRZSA-N 2 2 252.362 0.180 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2C[NH+](C)CC3)C1 ZINC000923281102 616433751 /nfs/dbraw/zinc/43/37/51/616433751.db2.gz DOUUYAQDARPHCI-FRRDWIJNSA-N 2 2 267.373 0.012 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2C[NH+](C)CC3)C1 ZINC000923281102 616433754 /nfs/dbraw/zinc/43/37/54/616433754.db2.gz DOUUYAQDARPHCI-FRRDWIJNSA-N 2 2 267.373 0.012 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)C1 ZINC000923281102 616433758 /nfs/dbraw/zinc/43/37/58/616433758.db2.gz DOUUYAQDARPHCI-FRRDWIJNSA-N 2 2 267.373 0.012 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2C[N@@H+](C)CC3)C1 ZINC000923281102 616433760 /nfs/dbraw/zinc/43/37/60/616433760.db2.gz DOUUYAQDARPHCI-FRRDWIJNSA-N 2 2 267.373 0.012 20 0 CCADLP C[N@@H+]1CC[C@H]2C[NH+](CCN3C(=O)CCC3=O)CC[C@@H]21 ZINC000879570812 616444477 /nfs/dbraw/zinc/44/44/77/616444477.db2.gz IWARQVGFRSMRTB-RYUDHWBXSA-N 2 2 265.357 0.161 20 0 CCADLP C[N@H+]1CC[C@H]2C[NH+](CCN3C(=O)CCC3=O)CC[C@@H]21 ZINC000879570812 616444479 /nfs/dbraw/zinc/44/44/79/616444479.db2.gz IWARQVGFRSMRTB-RYUDHWBXSA-N 2 2 265.357 0.161 20 0 CCADLP C[NH+]1CC[C@H]2C[N@H+](CCN3C(=O)CCC3=O)CC[C@@H]21 ZINC000879570812 616444483 /nfs/dbraw/zinc/44/44/83/616444483.db2.gz IWARQVGFRSMRTB-RYUDHWBXSA-N 2 2 265.357 0.161 20 0 CCADLP C[NH+]1CC[C@H]2C[N@@H+](CCN3C(=O)CCC3=O)CC[C@@H]21 ZINC000879570812 616444486 /nfs/dbraw/zinc/44/44/86/616444486.db2.gz IWARQVGFRSMRTB-RYUDHWBXSA-N 2 2 265.357 0.161 20 0 CCADLP C[N@@H+]1CC[C@H]2CN(S(=O)(=O)CCn3cc[nH+]c3)CC[C@H]21 ZINC000882501221 616445775 /nfs/dbraw/zinc/44/57/75/616445775.db2.gz NUSLRVVSMWTNPE-QWHCGFSZSA-N 2 2 298.412 0.239 20 0 CCADLP C[N@H+]1CC[C@H]2CN(S(=O)(=O)CCn3cc[nH+]c3)CC[C@H]21 ZINC000882501221 616445778 /nfs/dbraw/zinc/44/57/78/616445778.db2.gz NUSLRVVSMWTNPE-QWHCGFSZSA-N 2 2 298.412 0.239 20 0 CCADLP C[N@@H+]1CC[C@]2(CC[NH+](C[C@H]3CN(C4CC4)C(=O)O3)C2)C1 ZINC000844331141 616459506 /nfs/dbraw/zinc/45/95/06/616459506.db2.gz HGEUHDNEMRCAEA-ZFWWWQNUSA-N 2 2 279.384 0.997 20 0 CCADLP C[N@H+]1CC[C@]2(CC[NH+](C[C@H]3CN(C4CC4)C(=O)O3)C2)C1 ZINC000844331141 616459511 /nfs/dbraw/zinc/45/95/11/616459511.db2.gz HGEUHDNEMRCAEA-ZFWWWQNUSA-N 2 2 279.384 0.997 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@H+](C[C@H]3CN(C4CC4)C(=O)O3)C2)C1 ZINC000844331141 616459516 /nfs/dbraw/zinc/45/95/16/616459516.db2.gz HGEUHDNEMRCAEA-ZFWWWQNUSA-N 2 2 279.384 0.997 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@@H+](C[C@H]3CN(C4CC4)C(=O)O3)C2)C1 ZINC000844331141 616459522 /nfs/dbraw/zinc/45/95/22/616459522.db2.gz HGEUHDNEMRCAEA-ZFWWWQNUSA-N 2 2 279.384 0.997 20 0 CCADLP C[NH+]1C[C@]2(C)C[NH+](CCN3CCCC3=O)C[C@@]2(C)C1 ZINC000931308090 616513737 /nfs/dbraw/zinc/51/37/37/616513737.db2.gz RKDGLNJBVGTNQS-HUUCEWRRSA-N 2 2 265.401 0.882 20 0 CCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000877247005 616516891 /nfs/dbraw/zinc/51/68/91/616516891.db2.gz BWFGZCUXVRHAFF-KKUMJFAQSA-N 2 2 289.379 0.653 20 0 CCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000877247005 616516892 /nfs/dbraw/zinc/51/68/92/616516892.db2.gz BWFGZCUXVRHAFF-KKUMJFAQSA-N 2 2 289.379 0.653 20 0 CCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000877247496 616516961 /nfs/dbraw/zinc/51/69/61/616516961.db2.gz MXNQTLPAZZJLQM-MELADBBJSA-N 2 2 275.352 0.406 20 0 CCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000877247496 616516963 /nfs/dbraw/zinc/51/69/63/616516963.db2.gz MXNQTLPAZZJLQM-MELADBBJSA-N 2 2 275.352 0.406 20 0 CCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000870979494 616517082 /nfs/dbraw/zinc/51/70/82/616517082.db2.gz MRIZSFQIWVOVQV-KBPBESRZSA-N 2 2 275.352 0.278 20 0 CCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000870979494 616517086 /nfs/dbraw/zinc/51/70/86/616517086.db2.gz MRIZSFQIWVOVQV-KBPBESRZSA-N 2 2 275.352 0.278 20 0 CCADLP CNC(=O)C[NH+]1CCC(Nc2nccn3c[nH+]cc23)CC1 ZINC000891768533 616601561 /nfs/dbraw/zinc/60/15/61/616601561.db2.gz XTGMPSRCRKTYTJ-UHFFFAOYSA-N 2 2 288.355 0.352 20 0 CCADLP COCCS(=O)(=O)CCC[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000843364504 616604892 /nfs/dbraw/zinc/60/48/92/616604892.db2.gz KTDFOSCENIGNFV-NWDGAFQWSA-N 2 2 278.418 0.107 20 0 CCADLP COCCS(=O)(=O)CCC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000843364504 616604895 /nfs/dbraw/zinc/60/48/95/616604895.db2.gz KTDFOSCENIGNFV-NWDGAFQWSA-N 2 2 278.418 0.107 20 0 CCADLP COCC[C@H](CO)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926351845 616668659 /nfs/dbraw/zinc/66/86/59/616668659.db2.gz BOMPMKBIOXNGMK-MCIONIFRSA-N 2 2 256.390 0.990 20 0 CCADLP COCC[C@H](CO)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926351845 616668662 /nfs/dbraw/zinc/66/86/62/616668662.db2.gz BOMPMKBIOXNGMK-MCIONIFRSA-N 2 2 256.390 0.990 20 0 CCADLP COC[C@H]([NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)[C@H]1CCCOC1 ZINC000925778257 616727131 /nfs/dbraw/zinc/72/71/31/616727131.db2.gz JMISPGOIVAOSNG-BARDWOONSA-N 2 2 286.416 0.785 20 0 CCADLP COC(=O)[C@](C)(Cn1cccn1)[NH2+]CCC1CC[NH2+]CC1 ZINC000903863636 616750399 /nfs/dbraw/zinc/75/03/99/616750399.db2.gz NXIFEVZOCLVMFO-HNNXBMFYSA-N 2 2 294.399 0.794 20 0 CCADLP CO[C@@H]1C[N@H+](C[C@H](O)CCOC(C)C)[C@@](C)(C[NH3+])C1 ZINC000923409185 616775145 /nfs/dbraw/zinc/77/51/45/616775145.db2.gz BIGDDVLXZOYLNB-HZSPNIEDSA-N 2 2 274.405 0.601 20 0 CCADLP CO[C@@H]1C[N@@H+](C[C@H](O)CCOC(C)C)[C@@](C)(C[NH3+])C1 ZINC000923409185 616775150 /nfs/dbraw/zinc/77/51/50/616775150.db2.gz BIGDDVLXZOYLNB-HZSPNIEDSA-N 2 2 274.405 0.601 20 0 CCADLP COC(=O)N(C)CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000854227845 616795011 /nfs/dbraw/zinc/79/50/11/616795011.db2.gz RNWPFARUSNGYGK-RYUDHWBXSA-N 2 2 271.361 0.041 20 0 CCADLP COC[C@](C)(O)c1cn(CC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000864646312 616844376 /nfs/dbraw/zinc/84/43/76/616844376.db2.gz ZJGUNNNIWVQJAT-AWEZNQCLSA-N 2 2 299.419 0.016 20 0 CCADLP COC[C@](C)(O)c1cn(CC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000864646312 616844381 /nfs/dbraw/zinc/84/43/81/616844381.db2.gz ZJGUNNNIWVQJAT-AWEZNQCLSA-N 2 2 299.419 0.016 20 0 CCADLP C[NH2+]CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)cc2)CCO1 ZINC000867997758 616936947 /nfs/dbraw/zinc/93/69/47/616936947.db2.gz JDGQPAGNBWIEKX-OAHLLOKOSA-N 2 2 291.395 0.531 20 0 CCADLP C[NH2+]CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)cc2)CCO1 ZINC000867997758 616936952 /nfs/dbraw/zinc/93/69/52/616936952.db2.gz JDGQPAGNBWIEKX-OAHLLOKOSA-N 2 2 291.395 0.531 20 0 CCADLP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cnnn1C ZINC000924654633 616954262 /nfs/dbraw/zinc/95/42/62/616954262.db2.gz DRMXHPPPDIWCET-NSHDSACASA-N 2 2 255.366 0.434 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cnnn1C ZINC000924654633 616954266 /nfs/dbraw/zinc/95/42/66/616954266.db2.gz DRMXHPPPDIWCET-NSHDSACASA-N 2 2 255.366 0.434 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903717180 616983766 /nfs/dbraw/zinc/98/37/66/616983766.db2.gz JDWOGHXLBLZXEB-MELADBBJSA-N 3 2 253.390 0.439 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903717180 616983772 /nfs/dbraw/zinc/98/37/72/616983772.db2.gz JDWOGHXLBLZXEB-MELADBBJSA-N 3 2 253.390 0.439 20 0 CCADLP COC(=O)c1cncc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000886589610 616995993 /nfs/dbraw/zinc/99/59/93/616995993.db2.gz ADULOFXFNDFABL-NHYWBVRUSA-N 2 2 293.367 0.585 20 0 CCADLP COC(=O)c1cncc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000886589610 616995995 /nfs/dbraw/zinc/99/59/95/616995995.db2.gz ADULOFXFNDFABL-NHYWBVRUSA-N 2 2 293.367 0.585 20 0 CCADLP CNS(=O)(=O)CCC[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925725332 617013049 /nfs/dbraw/zinc/01/30/49/617013049.db2.gz JXNPIDBBNLCOCQ-AAEUAGOBSA-N 2 2 285.413 0.604 20 0 CCADLP CNc1cc(N2CC[N@H+](C)C[C@@H](C(=O)OC)C2)nc[nH+]1 ZINC000894188711 617057967 /nfs/dbraw/zinc/05/79/67/617057967.db2.gz AQBQIOVUPDYKRC-SNVBAGLBSA-N 2 2 279.344 0.059 20 0 CCADLP CNc1cc(N2CC[N@@H+](C)C[C@@H](C(=O)OC)C2)nc[nH+]1 ZINC000894188711 617057970 /nfs/dbraw/zinc/05/79/70/617057970.db2.gz AQBQIOVUPDYKRC-SNVBAGLBSA-N 2 2 279.344 0.059 20 0 CCADLP CNc1ccc(C)cc1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000902119721 617064061 /nfs/dbraw/zinc/06/40/61/617064061.db2.gz AUCBMOCWBWAXBR-UHFFFAOYSA-N 2 2 290.411 0.900 20 0 CCADLP CO[C@H](C)C[NH+]1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC000949318105 617065382 /nfs/dbraw/zinc/06/53/82/617065382.db2.gz XEGBVBKCBJEUOT-CYBMUJFWSA-N 2 2 280.372 0.371 20 0 CCADLP CON1CC[C@@H]([N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)C1=O ZINC000930578618 617094153 /nfs/dbraw/zinc/09/41/53/617094153.db2.gz WBDSAYSTQPKRKO-OCCSQVGLSA-N 2 2 267.373 0.566 20 0 CCADLP CON1CC[C@@H]([N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)C1=O ZINC000930578618 617094155 /nfs/dbraw/zinc/09/41/55/617094155.db2.gz WBDSAYSTQPKRKO-OCCSQVGLSA-N 2 2 267.373 0.566 20 0 CCADLP CON1CC[C@@H]([NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)C1=O ZINC000930578618 617094157 /nfs/dbraw/zinc/09/41/57/617094157.db2.gz WBDSAYSTQPKRKO-OCCSQVGLSA-N 2 2 267.373 0.566 20 0 CCADLP CON1CC[C@@H]([NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)C1=O ZINC000930578618 617094158 /nfs/dbraw/zinc/09/41/58/617094158.db2.gz WBDSAYSTQPKRKO-OCCSQVGLSA-N 2 2 267.373 0.566 20 0 CCADLP CO[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000961896637 617156791 /nfs/dbraw/zinc/15/67/91/617156791.db2.gz ZMJNALSIVBTJKC-PQFRYHKHSA-N 2 2 278.356 0.034 20 0 CCADLP CO[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000961896637 617156792 /nfs/dbraw/zinc/15/67/92/617156792.db2.gz ZMJNALSIVBTJKC-PQFRYHKHSA-N 2 2 278.356 0.034 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000884470199 617163939 /nfs/dbraw/zinc/16/39/39/617163939.db2.gz HWGLQOICYYNYLF-OLZOCXBDSA-N 2 2 263.341 0.263 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000884470199 617163940 /nfs/dbraw/zinc/16/39/40/617163940.db2.gz HWGLQOICYYNYLF-OLZOCXBDSA-N 2 2 263.341 0.263 20 0 CCADLP C[C@H]([NH3+])[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)c1ccccc1 ZINC000925545082 625399524 /nfs/dbraw/zinc/39/95/24/625399524.db2.gz WWXMLUDVDYBESN-GXTWGEPZSA-N 2 2 299.440 0.946 20 0 CCADLP OCC1([NH2+]CC2CC2)CC[NH+](CCO[C@@H]2CCOC2)CC1 ZINC000930676404 625411104 /nfs/dbraw/zinc/41/11/04/625411104.db2.gz WYTRFCCEWRIFTG-OAHLLOKOSA-N 2 2 298.427 0.618 20 0 CCADLP OCC1(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)COC1 ZINC000925583944 625430603 /nfs/dbraw/zinc/43/06/03/625430603.db2.gz JGWDPVKMSOEKBN-QWHCGFSZSA-N 2 2 254.374 0.602 20 0 CCADLP OCC1(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)COC1 ZINC000925583944 625430605 /nfs/dbraw/zinc/43/06/05/625430605.db2.gz JGWDPVKMSOEKBN-QWHCGFSZSA-N 2 2 254.374 0.602 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CC[C@@H]([NH2+]CCF)[C@@H]2C1 ZINC001026388849 625424710 /nfs/dbraw/zinc/42/47/10/625424710.db2.gz SORPQYLARFGFBF-QJPTWQEYSA-N 2 2 280.347 0.748 20 0 CCADLP C[C@H]1[C@@H]([NH+](C)C)CCN1CCC[NH+]1CCOCC1 ZINC000931043863 625464047 /nfs/dbraw/zinc/46/40/47/625464047.db2.gz RBHRLVDBRYEIGE-KBPBESRZSA-N 2 2 255.406 0.733 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@@H]([NH2+]CC2CCOCC2)C1 ZINC001022889482 622836209 /nfs/dbraw/zinc/83/62/09/622836209.db2.gz JZNDCWQFXLKKDN-BETUJISGSA-N 2 2 292.383 0.616 20 0 CCADLP Cn1cncc1C[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001022889749 622836300 /nfs/dbraw/zinc/83/63/00/622836300.db2.gz YUEDMUVQIVJRJD-PHIMTYICSA-N 2 2 288.355 0.123 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]CCC2CC2)C1 ZINC001023160823 622935985 /nfs/dbraw/zinc/93/59/85/622935985.db2.gz DBKXDCUNMWYSBT-BETUJISGSA-N 2 2 262.357 0.920 20 0 CCADLP CC[NH2+]C[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001026814125 625623579 /nfs/dbraw/zinc/62/35/79/625623579.db2.gz MFTFVPRJUBEXEC-LLVKDONJSA-N 2 2 250.346 0.800 20 0 CCADLP C[C@H]1CCC[N@@H+]1CCNC(=O)NCC[NH+]1CCO[C@H](C)C1 ZINC000892595849 623572034 /nfs/dbraw/zinc/57/20/34/623572034.db2.gz LISJQJJBWQSMMU-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H]1CCC[N@H+]1CCNC(=O)NCC[NH+]1CCO[C@H](C)C1 ZINC000892595849 623572039 /nfs/dbraw/zinc/57/20/39/623572039.db2.gz LISJQJJBWQSMMU-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H]1CCC[NH+]1CCNC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000892595849 623572042 /nfs/dbraw/zinc/57/20/42/623572042.db2.gz LISJQJJBWQSMMU-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H]1CCC[NH+]1CCNC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000892595849 623572049 /nfs/dbraw/zinc/57/20/49/623572049.db2.gz LISJQJJBWQSMMU-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH2+]C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001025097727 623608111 /nfs/dbraw/zinc/60/81/11/623608111.db2.gz COCYQODMABFYDM-GFCCVEGCSA-N 2 2 250.346 0.943 20 0 CCADLP C[C@@H](C[C@H]1CCC(=O)N1)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000926777151 623618326 /nfs/dbraw/zinc/61/83/26/623618326.db2.gz HFOBCLKRRLJWKX-XQQFMLRXSA-N 2 2 283.416 0.478 20 0 CCADLP C[C@@H](C[C@H]1CCC(=O)N1)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000926777151 623618331 /nfs/dbraw/zinc/61/83/31/623618331.db2.gz HFOBCLKRRLJWKX-XQQFMLRXSA-N 2 2 283.416 0.478 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC2(CC1)OCCO2 ZINC000311435648 623733737 /nfs/dbraw/zinc/73/37/37/623733737.db2.gz DZBMBMASRUUXKN-ZDUSSCGKSA-N 2 2 272.389 0.526 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC2(CC1)OCCO2 ZINC000311435648 623733747 /nfs/dbraw/zinc/73/37/47/623733747.db2.gz DZBMBMASRUUXKN-ZDUSSCGKSA-N 2 2 272.389 0.526 20 0 CCADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)[C@H]1CCS(=O)(=O)C1 ZINC000892762462 623829473 /nfs/dbraw/zinc/82/94/73/623829473.db2.gz AECWQKSGHHTDLW-WOPDTQHZSA-N 2 2 262.419 0.739 20 0 CCADLP COc1nn(C)cc1C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000902453337 634388803 /nfs/dbraw/zinc/38/88/03/634388803.db2.gz AMMGQCVKMDKOIL-JQWIXIFHSA-N 2 2 268.361 0.285 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]([NH2+]Cc2cccnc2)C1 ZINC001020819163 624606732 /nfs/dbraw/zinc/60/67/32/624606732.db2.gz QQVTUCBJVBBOJQ-JOCQHMNTSA-N 2 2 285.351 0.784 20 0 CCADLP Cc1oncc1C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000970856828 624771537 /nfs/dbraw/zinc/77/15/37/624771537.db2.gz UCVWUNGOBNXRKB-CYBMUJFWSA-N 2 2 289.339 0.570 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261578313 624806290 /nfs/dbraw/zinc/80/62/90/624806290.db2.gz DCUVIXUSFLKTCS-OLZOCXBDSA-N 2 2 269.389 0.356 20 0 CCADLP O[C@H](C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)CC(F)(F)F ZINC000307949522 624820928 /nfs/dbraw/zinc/82/09/28/624820928.db2.gz QQOYRTONFLCZNT-KXUCPTDWSA-N 2 2 252.280 0.984 20 0 CCADLP O[C@H](C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)CC(F)(F)F ZINC000307949522 624820931 /nfs/dbraw/zinc/82/09/31/624820931.db2.gz QQOYRTONFLCZNT-KXUCPTDWSA-N 2 2 252.280 0.984 20 0 CCADLP C[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000971652332 624884559 /nfs/dbraw/zinc/88/45/59/624884559.db2.gz OTQCMRSWOQRZAL-YPMHNXCESA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000971652332 624884561 /nfs/dbraw/zinc/88/45/61/624884561.db2.gz OTQCMRSWOQRZAL-YPMHNXCESA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000971652332 624884562 /nfs/dbraw/zinc/88/45/62/624884562.db2.gz OTQCMRSWOQRZAL-YPMHNXCESA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000971652332 624884565 /nfs/dbraw/zinc/88/45/65/624884565.db2.gz OTQCMRSWOQRZAL-YPMHNXCESA-N 2 2 280.372 0.256 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000891818912 624936213 /nfs/dbraw/zinc/93/62/13/624936213.db2.gz NDVKRBPMBCCODL-IJLUTSLNSA-N 2 2 277.372 0.767 20 0 CCADLP Cc1cc(C)c(CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c[nH+]1 ZINC000891944829 624997820 /nfs/dbraw/zinc/99/78/20/624997820.db2.gz VVGCMJMONCEPFP-STQMWFEESA-N 2 2 260.341 0.954 20 0 CCADLP C[C@@H]1C[NH+](CCN2CCN(C)CC[N@H+](C)CC2)C[C@@H](C)O1 ZINC000933990895 625000741 /nfs/dbraw/zinc/00/07/41/625000741.db2.gz TZCNZWMXDJYDCN-HZPDHXFCSA-N 2 2 298.475 0.275 20 0 CCADLP C[C@@H]1C[NH+](CCN2CCN(C)CC[N@@H+](C)CC2)C[C@@H](C)O1 ZINC000933990895 625000742 /nfs/dbraw/zinc/00/07/42/625000742.db2.gz TZCNZWMXDJYDCN-HZPDHXFCSA-N 2 2 298.475 0.275 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NCC1CC[NH2+]CC1 ZINC000891976315 625014258 /nfs/dbraw/zinc/01/42/58/625014258.db2.gz LHGJYMYSQDQVSV-UHFFFAOYSA-N 2 2 251.334 0.219 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H](C[NH2+]C[C@@H]2CCOC2)C1 ZINC001027091447 625729464 /nfs/dbraw/zinc/72/94/64/625729464.db2.gz MZCYBISJOHEMMT-STQMWFEESA-N 2 2 292.383 0.427 20 0 CCADLP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](C[C@H]3CCC[NH2+]3)CC2)C1 ZINC000903459982 634564497 /nfs/dbraw/zinc/56/44/97/634564497.db2.gz SVFMOSJVDADIKI-RBSFLKMASA-N 3 2 267.417 0.957 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903713134 634631978 /nfs/dbraw/zinc/63/19/78/634631978.db2.gz GDTWXWJHVWDXRK-ZQDZILKHSA-N 3 2 267.417 0.957 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903713134 634631981 /nfs/dbraw/zinc/63/19/81/634631981.db2.gz GDTWXWJHVWDXRK-ZQDZILKHSA-N 3 2 267.417 0.957 20 0 CCADLP [NH3+]CC12CCC(CC1)C[N@@H+]2C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000903768408 634643431 /nfs/dbraw/zinc/64/34/31/634643431.db2.gz MPOCVPHVLZKKDE-PEGGXJLSSA-N 2 2 266.385 0.994 20 0 CCADLP [NH3+]CC12CCC(CC1)C[N@H+]2C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000903768408 634643436 /nfs/dbraw/zinc/64/34/36/634643436.db2.gz MPOCVPHVLZKKDE-PEGGXJLSSA-N 2 2 266.385 0.994 20 0 CCADLP [NH3+]CC12CC(C1)C[N@@H+]2C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903766109 634643638 /nfs/dbraw/zinc/64/36/38/634643638.db2.gz OUDBILMPEMEIOX-JVWICGRDSA-N 3 2 265.401 0.568 20 0 CCADLP [NH3+]CC12CC(C1)C[N@H+]2C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903766109 634643644 /nfs/dbraw/zinc/64/36/44/634643644.db2.gz OUDBILMPEMEIOX-JVWICGRDSA-N 3 2 265.401 0.568 20 0 CCADLP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1cnn(CCF)c1)C2 ZINC000903780576 634649735 /nfs/dbraw/zinc/64/97/35/634649735.db2.gz JBEFWWTXLDOXHS-QWHCGFSZSA-N 2 2 252.337 0.894 20 0 CCADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1cnn(CCF)c1)C2 ZINC000903780576 634649741 /nfs/dbraw/zinc/64/97/41/634649741.db2.gz JBEFWWTXLDOXHS-QWHCGFSZSA-N 2 2 252.337 0.894 20 0 CCADLP [NH3+][C@H](CC(F)F)C[N@@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000903933250 634692476 /nfs/dbraw/zinc/69/24/76/634692476.db2.gz NEXWPOFMOIRBNY-GHMZBOCLSA-N 2 2 275.343 0.913 20 0 CCADLP [NH3+][C@H](CC(F)F)C[N@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000903933250 634692483 /nfs/dbraw/zinc/69/24/83/634692483.db2.gz NEXWPOFMOIRBNY-GHMZBOCLSA-N 2 2 275.343 0.913 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cnn1C ZINC000903937904 634694723 /nfs/dbraw/zinc/69/47/23/634694723.db2.gz UXZJITOJZPPRTP-VNQPRFMTSA-N 3 2 291.443 0.387 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cnn1C ZINC000903937904 634694725 /nfs/dbraw/zinc/69/47/25/634694725.db2.gz UXZJITOJZPPRTP-VNQPRFMTSA-N 3 2 291.443 0.387 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1ccccc1-n1cncn1 ZINC000903960792 634697321 /nfs/dbraw/zinc/69/73/21/634697321.db2.gz ZRGVUFQMLLTYSB-DGCLKSJQSA-N 2 2 257.341 0.965 20 0 CCADLP Cc1ccc(CCCN2CC[NH2+]CC[NH2+]CC2)cn1 ZINC000904396955 634738534 /nfs/dbraw/zinc/73/85/34/634738534.db2.gz SWUYOZAQKYFHAF-UHFFFAOYSA-N 2 2 262.401 0.817 20 0 CCADLP OCC1(C[C@@H](O)C[NH2+]CCn2cc[nH+]c2)CCCC1 ZINC000905035127 634779939 /nfs/dbraw/zinc/77/99/39/634779939.db2.gz MQLBDMRVGFOJHJ-CYBMUJFWSA-N 2 2 267.373 0.776 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1CC[N@@H+]1C ZINC000905147858 634809606 /nfs/dbraw/zinc/80/96/06/634809606.db2.gz IMAFLFYBGPVDSQ-WDEREUQCSA-N 2 2 251.334 0.275 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1CC[N@H+]1C ZINC000905147858 634809610 /nfs/dbraw/zinc/80/96/10/634809610.db2.gz IMAFLFYBGPVDSQ-WDEREUQCSA-N 2 2 251.334 0.275 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CCn2cc[nH+]c2C1)CC1(O)CCCC1 ZINC000905218482 634824788 /nfs/dbraw/zinc/82/47/88/634824788.db2.gz NTSZFHJMTYHGQQ-OLZOCXBDSA-N 2 2 279.384 0.844 20 0 CCADLP C[C@@H]([NH2+]CC1CC1)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC000979443347 630927864 /nfs/dbraw/zinc/92/78/64/630927864.db2.gz JKCSLKOTLHNSFT-OCCSQVGLSA-N 2 2 292.383 0.499 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[N@H+](CCCO)CC1 ZINC000982143269 631378816 /nfs/dbraw/zinc/37/88/16/631378816.db2.gz RCBSBAOAVYMKDW-ZDUSSCGKSA-N 2 2 294.399 0.505 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[N@@H+](CCCO)CC1 ZINC000982143269 631378824 /nfs/dbraw/zinc/37/88/24/631378824.db2.gz RCBSBAOAVYMKDW-ZDUSSCGKSA-N 2 2 294.399 0.505 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C(C)(C)CO ZINC000924903580 631612521 /nfs/dbraw/zinc/61/25/21/631612521.db2.gz VZKWWGCRWMNHGZ-UONOGXRCSA-N 2 2 299.459 0.926 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)C(C)(C)CO ZINC000924903580 631612525 /nfs/dbraw/zinc/61/25/25/631612525.db2.gz VZKWWGCRWMNHGZ-UONOGXRCSA-N 2 2 299.459 0.926 20 0 CCADLP C[C@@H]1CC[N@H+](CCNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000894309157 631703256 /nfs/dbraw/zinc/70/32/56/631703256.db2.gz OFHVBRBMSVGGBP-CHWSQXEVSA-N 2 2 291.399 0.839 20 0 CCADLP C[C@@H]1CC[N@@H+](CCNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000894309157 631703259 /nfs/dbraw/zinc/70/32/59/631703259.db2.gz OFHVBRBMSVGGBP-CHWSQXEVSA-N 2 2 291.399 0.839 20 0 CCADLP C[C@H]1CC[N@H+](CCCO)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000968703508 650026144 /nfs/dbraw/zinc/02/61/44/650026144.db2.gz WDQSXZDLYSNIKE-STQMWFEESA-N 2 2 280.372 0.092 20 0 CCADLP C[C@H]1CC[N@@H+](CCCO)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC000968703508 650026146 /nfs/dbraw/zinc/02/61/46/650026146.db2.gz WDQSXZDLYSNIKE-STQMWFEESA-N 2 2 280.372 0.092 20 0 CCADLP C[C@@H](C[NH2+][C@@H](C)C1CCN(S(C)(=O)=O)CC1)[NH+](C)C ZINC000894743832 631823590 /nfs/dbraw/zinc/82/35/90/631823590.db2.gz YMDYNGVTEHBSEC-RYUDHWBXSA-N 2 2 291.461 0.586 20 0 CCADLP C[C@@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)C1N=NC(=O)N1C ZINC000895172500 632006238 /nfs/dbraw/zinc/00/62/38/632006238.db2.gz QFERLRJGPUIPFE-SNVBAGLBSA-N 2 2 299.338 0.952 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000985769720 632638781 /nfs/dbraw/zinc/63/87/81/632638781.db2.gz MBCKHRMPDPKATA-UHFFFAOYSA-N 2 2 280.372 0.176 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000985769720 632638787 /nfs/dbraw/zinc/63/87/87/632638787.db2.gz MBCKHRMPDPKATA-UHFFFAOYSA-N 2 2 280.372 0.176 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000897365024 632705562 /nfs/dbraw/zinc/70/55/62/632705562.db2.gz QFFOLHCPZYCNSK-LBPRGKRZSA-N 2 2 264.373 0.952 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000897365024 632705567 /nfs/dbraw/zinc/70/55/67/632705567.db2.gz QFFOLHCPZYCNSK-LBPRGKRZSA-N 2 2 264.373 0.952 20 0 CCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CCC[N@H+](CCO)C1 ZINC001008345446 650111196 /nfs/dbraw/zinc/11/11/96/650111196.db2.gz ULAMVHJERMBUHQ-CYBMUJFWSA-N 2 2 295.383 0.528 20 0 CCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CCC[N@@H+](CCO)C1 ZINC001008345446 650111198 /nfs/dbraw/zinc/11/11/98/650111198.db2.gz ULAMVHJERMBUHQ-CYBMUJFWSA-N 2 2 295.383 0.528 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCCc2nnnn2C)C[N@@H+]1C1CC1 ZINC000898039860 633272920 /nfs/dbraw/zinc/27/29/20/633272920.db2.gz IKVUHECITSAFBL-WDEREUQCSA-N 2 2 264.377 0.358 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCCc2nnnn2C)C[N@H+]1C1CC1 ZINC000898039860 633272923 /nfs/dbraw/zinc/27/29/23/633272923.db2.gz IKVUHECITSAFBL-WDEREUQCSA-N 2 2 264.377 0.358 20 0 CCADLP COC[C@H](C)[N@@H+]1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000989486024 633315654 /nfs/dbraw/zinc/31/56/54/633315654.db2.gz CRZZYCZINRUQHG-ZDUSSCGKSA-N 2 2 294.399 0.532 20 0 CCADLP COC[C@H](C)[N@H+]1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000989486024 633315658 /nfs/dbraw/zinc/31/56/58/633315658.db2.gz CRZZYCZINRUQHG-ZDUSSCGKSA-N 2 2 294.399 0.532 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)N2CCC[NH+](CCF)CC2)C1 ZINC000989661011 633339597 /nfs/dbraw/zinc/33/95/97/633339597.db2.gz FIADIMTYKQZYHY-GFCCVEGCSA-N 2 2 257.353 0.442 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)N2CCC[NH+](CCF)CC2)C1 ZINC000989661011 633339602 /nfs/dbraw/zinc/33/96/02/633339602.db2.gz FIADIMTYKQZYHY-GFCCVEGCSA-N 2 2 257.353 0.442 20 0 CCADLP C[NH+]1CC[C@@H](C(=O)N2CCC[N@H+](CCF)CC2)C1 ZINC000989661011 633339610 /nfs/dbraw/zinc/33/96/10/633339610.db2.gz FIADIMTYKQZYHY-GFCCVEGCSA-N 2 2 257.353 0.442 20 0 CCADLP C[NH+]1CC[C@@H](C(=O)N2CCC[N@@H+](CCF)CC2)C1 ZINC000989661011 633339612 /nfs/dbraw/zinc/33/96/12/633339612.db2.gz FIADIMTYKQZYHY-GFCCVEGCSA-N 2 2 257.353 0.442 20 0 CCADLP CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC000990108204 633447834 /nfs/dbraw/zinc/44/78/34/633447834.db2.gz NKWFJCPTDCRQOE-IIAWOOMASA-N 2 2 295.427 0.840 20 0 CCADLP CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC000990108204 633447836 /nfs/dbraw/zinc/44/78/36/633447836.db2.gz NKWFJCPTDCRQOE-IIAWOOMASA-N 2 2 295.427 0.840 20 0 CCADLP CCC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC000990108204 633447838 /nfs/dbraw/zinc/44/78/38/633447838.db2.gz NKWFJCPTDCRQOE-IIAWOOMASA-N 2 2 295.427 0.840 20 0 CCADLP CCC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC000990108204 633447843 /nfs/dbraw/zinc/44/78/43/633447843.db2.gz NKWFJCPTDCRQOE-IIAWOOMASA-N 2 2 295.427 0.840 20 0 CCADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CC([NH+]2CCCC2)C1 ZINC000898605535 633632296 /nfs/dbraw/zinc/63/22/96/633632296.db2.gz ASRWLYSGZQZJLQ-LBPRGKRZSA-N 2 2 274.368 0.752 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000899248064 633772492 /nfs/dbraw/zinc/77/24/92/633772492.db2.gz LTQMIJPGVILQCG-OCCSQVGLSA-N 2 2 277.372 0.809 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000900023284 633939776 /nfs/dbraw/zinc/93/97/76/633939776.db2.gz IXNOHVORVMIBDN-UHFFFAOYSA-N 2 2 291.399 0.192 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC001009347521 650143480 /nfs/dbraw/zinc/14/34/80/650143480.db2.gz ROJFWEQAGJJZAU-LBPRGKRZSA-N 2 2 280.372 0.224 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001009707625 650155383 /nfs/dbraw/zinc/15/53/83/650155383.db2.gz LISLDWAAFITNFP-STQMWFEESA-N 2 2 280.372 0.499 20 0 CCADLP CO[C@@H](C)C[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001009707625 650155385 /nfs/dbraw/zinc/15/53/85/650155385.db2.gz LISLDWAAFITNFP-STQMWFEESA-N 2 2 280.372 0.499 20 0 CCADLP C[C@@H](O)[C@@H]1CCN(c2cc(N3CCC[C@H]([NH3+])C3)nc[nH+]2)C1 ZINC000905718866 634900234 /nfs/dbraw/zinc/90/02/34/634900234.db2.gz FPAXXKYARMSAPC-UPJWGTAASA-N 2 2 291.399 0.611 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC[N@@H+]1CCO ZINC000907543720 635149051 /nfs/dbraw/zinc/14/90/51/635149051.db2.gz GRAHXQOMJPDBAR-KFWWJZLASA-N 2 2 295.427 0.528 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC[N@H+]1CCO ZINC000907543720 635149054 /nfs/dbraw/zinc/14/90/54/635149054.db2.gz GRAHXQOMJPDBAR-KFWWJZLASA-N 2 2 295.427 0.528 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC[NH+]1CCO ZINC000907543720 635149057 /nfs/dbraw/zinc/14/90/57/635149057.db2.gz GRAHXQOMJPDBAR-KFWWJZLASA-N 2 2 295.427 0.528 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC[NH+]1CCO ZINC000907543720 635149062 /nfs/dbraw/zinc/14/90/62/635149062.db2.gz GRAHXQOMJPDBAR-KFWWJZLASA-N 2 2 295.427 0.528 20 0 CCADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC000910932179 635854412 /nfs/dbraw/zinc/85/44/12/635854412.db2.gz WSPYTAIICQZQKD-MCIONIFRSA-N 2 2 297.443 0.773 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC000910932179 635854416 /nfs/dbraw/zinc/85/44/16/635854416.db2.gz WSPYTAIICQZQKD-MCIONIFRSA-N 2 2 297.443 0.773 20 0 CCADLP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000910932179 635854421 /nfs/dbraw/zinc/85/44/21/635854421.db2.gz WSPYTAIICQZQKD-MCIONIFRSA-N 2 2 297.443 0.773 20 0 CCADLP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000910932179 635854424 /nfs/dbraw/zinc/85/44/24/635854424.db2.gz WSPYTAIICQZQKD-MCIONIFRSA-N 2 2 297.443 0.773 20 0 CCADLP O=C(NC[C@H]1CCC[NH2+]C1)[C@H]1CCc2c[nH+]cn2C1 ZINC000911703883 636356844 /nfs/dbraw/zinc/35/68/44/636356844.db2.gz MSGRIIBXESSCBT-RYUDHWBXSA-N 2 2 262.357 0.561 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)NC[C@H]2CCCC[NH+]2C)CCO1 ZINC000912451763 636588617 /nfs/dbraw/zinc/58/86/17/636588617.db2.gz VTLJHDUGOODGQT-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)NC[C@H]2CCCC[NH+]2C)CCO1 ZINC000912451763 636588622 /nfs/dbraw/zinc/58/86/22/636588622.db2.gz VTLJHDUGOODGQT-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)NC[C@H]2CCCC[N@@H+]2C)CCO1 ZINC000912451763 636588627 /nfs/dbraw/zinc/58/86/27/636588627.db2.gz VTLJHDUGOODGQT-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)NC[C@H]2CCCC[N@H+]2C)CCO1 ZINC000912451763 636588631 /nfs/dbraw/zinc/58/86/31/636588631.db2.gz VTLJHDUGOODGQT-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1CO)[NH+]1CCCCCC1 ZINC000912744433 636665700 /nfs/dbraw/zinc/66/57/00/636665700.db2.gz WBPGGWLADREWNA-UONOGXRCSA-N 2 2 283.416 0.386 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1CO)[NH+]1CCCCCC1 ZINC000912744433 636665705 /nfs/dbraw/zinc/66/57/05/636665705.db2.gz WBPGGWLADREWNA-UONOGXRCSA-N 2 2 283.416 0.386 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)[C@H](CO)C1)[NH+]1CCCCCC1 ZINC000913549199 636843700 /nfs/dbraw/zinc/84/37/00/636843700.db2.gz XSADFUIQRQBSRJ-KGLIPLIRSA-N 2 2 283.416 0.386 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)[C@H](CO)C1)[NH+]1CCCCCC1 ZINC000913549199 636843703 /nfs/dbraw/zinc/84/37/03/636843703.db2.gz XSADFUIQRQBSRJ-KGLIPLIRSA-N 2 2 283.416 0.386 20 0 CCADLP COC[C@H]([NH3+])C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000167757928 636974663 /nfs/dbraw/zinc/97/46/63/636974663.db2.gz PYNVCMCNUIPCPS-QWRGUYRKSA-N 2 2 268.361 0.388 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)CC[NH2+]C(C)(C)C)c1 ZINC000313230222 637487077 /nfs/dbraw/zinc/48/70/77/637487077.db2.gz MBQXHVLQNUMIOZ-UHFFFAOYSA-N 2 2 252.362 0.857 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000914083063 637506532 /nfs/dbraw/zinc/50/65/32/637506532.db2.gz NYDFSXMXZCGWEL-JHJVBQTASA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)NC[C@H]2CC[NH+]2C)C[C@H](C)O1 ZINC000925416199 637690386 /nfs/dbraw/zinc/69/03/86/637690386.db2.gz HYJBDVUKWQMPRO-HZSPNIEDSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)NC[C@H]2CC[NH+]2C)C[C@H](C)O1 ZINC000925416199 637690390 /nfs/dbraw/zinc/69/03/90/637690390.db2.gz HYJBDVUKWQMPRO-HZSPNIEDSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@@H]1C[NH+](CCN(C)C(=O)NC[C@H]2CC[N@@H+]2C)C[C@H](C)O1 ZINC000925416199 637690392 /nfs/dbraw/zinc/69/03/92/637690392.db2.gz HYJBDVUKWQMPRO-HZSPNIEDSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@@H]1C[NH+](CCN(C)C(=O)NC[C@H]2CC[N@H+]2C)C[C@H](C)O1 ZINC000925416199 637690395 /nfs/dbraw/zinc/69/03/95/637690395.db2.gz HYJBDVUKWQMPRO-HZSPNIEDSA-N 2 2 298.431 0.441 20 0 CCADLP CC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000995160427 638540531 /nfs/dbraw/zinc/54/05/31/638540531.db2.gz MWERSQDGSSFUAR-NEPJUHHUSA-N 2 2 264.373 0.857 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]([NH2+]CCO)C(C)(C)C1 ZINC000996400829 638817431 /nfs/dbraw/zinc/81/74/31/638817431.db2.gz XEOKYVZADSTECB-AAEUAGOBSA-N 2 2 294.399 0.407 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]([NH2+]CCO)C(C)(C)C1 ZINC000996400829 638817433 /nfs/dbraw/zinc/81/74/33/638817433.db2.gz XEOKYVZADSTECB-AAEUAGOBSA-N 2 2 294.399 0.407 20 0 CCADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC([NH2+]CCF)CC1 ZINC000996738930 638830352 /nfs/dbraw/zinc/83/03/52/638830352.db2.gz OQZBQQGTAFKWFS-GFCCVEGCSA-N 2 2 294.374 0.996 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([NH2+]C[C@H](C)O)CC1 ZINC000997083168 638851330 /nfs/dbraw/zinc/85/13/30/638851330.db2.gz HXSBKLKKYMCQDE-NEPJUHHUSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([NH2+]C[C@H](C)O)CC1 ZINC000997083168 638851333 /nfs/dbraw/zinc/85/13/33/638851333.db2.gz HXSBKLKKYMCQDE-NEPJUHHUSA-N 2 2 294.399 0.550 20 0 CCADLP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC([NH2+]CCF)C1 ZINC000999006320 638955050 /nfs/dbraw/zinc/95/50/50/638955050.db2.gz ADFWHIVXKVLKEX-DCBWTQNWSA-N 2 2 294.374 0.994 20 0 CCADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H]([NH2+]CCF)C1 ZINC000999537865 638984881 /nfs/dbraw/zinc/98/48/81/638984881.db2.gz UZNRUJKRPAAINS-OLZOCXBDSA-N 2 2 294.374 0.996 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N2CCC[C@H]([NH2+]CCF)C2)no1 ZINC000999562777 638986048 /nfs/dbraw/zinc/98/60/48/638986048.db2.gz REVFYOMDAMCVJZ-NSHDSACASA-N 2 2 298.362 0.900 20 0 CCADLP CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001000979846 639203457 /nfs/dbraw/zinc/20/34/57/639203457.db2.gz VISSESQXOSRVOQ-CABCVRRESA-N 2 2 295.427 0.698 20 0 CCADLP O=C(NCC1CC[NH+](CCO)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001001503402 639308512 /nfs/dbraw/zinc/30/85/12/639308512.db2.gz ABDXBKMAHOPBKY-CHWSQXEVSA-N 2 2 292.383 0.334 20 0 CCADLP O=C(NCC1CC[NH+](CCO)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001001503402 639308515 /nfs/dbraw/zinc/30/85/15/639308515.db2.gz ABDXBKMAHOPBKY-CHWSQXEVSA-N 2 2 292.383 0.334 20 0 CCADLP O=C(NC1CC[NH+](CCO)CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001003179953 639515336 /nfs/dbraw/zinc/51/53/36/639515336.db2.gz LKTITRMRABZCON-GFCCVEGCSA-N 2 2 292.383 0.018 20 0 CCADLP Cc1ncccc1C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016394696 639543428 /nfs/dbraw/zinc/54/34/28/639543428.db2.gz ROVMIFWQLBJKHG-HNNXBMFYSA-N 2 2 299.378 0.977 20 0 CCADLP Cc1ncccc1C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016394696 639543437 /nfs/dbraw/zinc/54/34/37/639543437.db2.gz ROVMIFWQLBJKHG-HNNXBMFYSA-N 2 2 299.378 0.977 20 0 CCADLP O=C(N[C@H]1CC[N@@H+](CCO)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001014941608 650506329 /nfs/dbraw/zinc/50/63/29/650506329.db2.gz OUMPOELXFDKVDX-NSHDSACASA-N 2 2 274.324 0.359 20 0 CCADLP O=C(N[C@H]1CC[N@H+](CCO)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001014941608 650506334 /nfs/dbraw/zinc/50/63/34/650506334.db2.gz OUMPOELXFDKVDX-NSHDSACASA-N 2 2 274.324 0.359 20 0 CCADLP COC[C@@H](C)[NH+]1CCC(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001003973660 639658435 /nfs/dbraw/zinc/65/84/35/639658435.db2.gz DRBPVDRCXFVUSE-GFCCVEGCSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@H]1[C@@H](NC(=O)NCCc2cn(C)c[nH+]2)CC[N@@H+]1C ZINC000922820364 639800345 /nfs/dbraw/zinc/80/03/45/639800345.db2.gz DLVGWUYPBNEZMT-JQWIXIFHSA-N 2 2 265.361 0.354 20 0 CCADLP C[C@H]1[C@@H](NC(=O)NCCc2cn(C)c[nH+]2)CC[N@H+]1C ZINC000922820364 639800346 /nfs/dbraw/zinc/80/03/46/639800346.db2.gz DLVGWUYPBNEZMT-JQWIXIFHSA-N 2 2 265.361 0.354 20 0 CCADLP Cc1cc(C[N@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)no1 ZINC000923304242 640076412 /nfs/dbraw/zinc/07/64/12/640076412.db2.gz CUOKWKJNOIFLJY-LBPRGKRZSA-N 2 2 251.330 0.793 20 0 CCADLP Cc1cc(C[N@@H+](C)C[C@@H]2CC3(C[NH2+]C3)CO2)no1 ZINC000923304242 640076416 /nfs/dbraw/zinc/07/64/16/640076416.db2.gz CUOKWKJNOIFLJY-LBPRGKRZSA-N 2 2 251.330 0.793 20 0 CCADLP COc1ccccc1N1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923318423 640079782 /nfs/dbraw/zinc/07/97/82/640079782.db2.gz KERCGDZSYCXXLZ-QEJZJMRPSA-N 2 2 291.395 0.668 20 0 CCADLP Cc1ncsc1C[N@H+](CCO)C[C@@H]1CC[NH2+]C1 ZINC000923336888 640090520 /nfs/dbraw/zinc/09/05/20/640090520.db2.gz MQVZMYXWUURQFP-LLVKDONJSA-N 2 2 255.387 0.855 20 0 CCADLP Cc1ncsc1C[N@@H+](CCO)C[C@@H]1CC[NH2+]C1 ZINC000923336888 640090527 /nfs/dbraw/zinc/09/05/27/640090527.db2.gz MQVZMYXWUURQFP-LLVKDONJSA-N 2 2 255.387 0.855 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001015287054 650551589 /nfs/dbraw/zinc/55/15/89/650551589.db2.gz UEWASMWRICFOEF-HNNXBMFYSA-N 2 2 299.378 0.977 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001015287054 650551591 /nfs/dbraw/zinc/55/15/91/650551591.db2.gz UEWASMWRICFOEF-HNNXBMFYSA-N 2 2 299.378 0.977 20 0 CCADLP [NH3+][C@@]1(CO)CCC[N@H+](CCC(=O)Nc2cccnc2)C1 ZINC000923474067 640154416 /nfs/dbraw/zinc/15/44/16/640154416.db2.gz WTRBUNXRNZRFBA-AWEZNQCLSA-N 2 2 278.356 0.196 20 0 CCADLP [NH3+][C@@]1(CO)CCC[N@@H+](CCC(=O)Nc2cccnc2)C1 ZINC000923474067 640154421 /nfs/dbraw/zinc/15/44/21/640154421.db2.gz WTRBUNXRNZRFBA-AWEZNQCLSA-N 2 2 278.356 0.196 20 0 CCADLP [NH3+][C@@]1(CO)CCC[N@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000923477234 640157262 /nfs/dbraw/zinc/15/72/62/640157262.db2.gz QYCGSRYOHYJUPJ-HNNXBMFYSA-N 2 2 295.358 0.940 20 0 CCADLP [NH3+][C@@]1(CO)CCC[N@@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000923477234 640157269 /nfs/dbraw/zinc/15/72/69/640157269.db2.gz QYCGSRYOHYJUPJ-HNNXBMFYSA-N 2 2 295.358 0.940 20 0 CCADLP O=C(C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)NCc1cccnc1 ZINC000923518569 640174032 /nfs/dbraw/zinc/17/40/32/640174032.db2.gz VSIKQDVIKRWHRG-UONOGXRCSA-N 2 2 274.368 0.239 20 0 CCADLP O=C(C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)NCc1cccnc1 ZINC000923518569 640174041 /nfs/dbraw/zinc/17/40/41/640174041.db2.gz VSIKQDVIKRWHRG-UONOGXRCSA-N 2 2 274.368 0.239 20 0 CCADLP O=C(CC[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2)N1CC[NH2+]CC1 ZINC000923536558 640180405 /nfs/dbraw/zinc/18/04/05/640180405.db2.gz PKELWRUQWJUQKV-OAHLLOKOSA-N 3 2 280.416 0.026 20 0 CCADLP O=C(CC[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2)N1CC[NH2+]CC1 ZINC000923536558 640180408 /nfs/dbraw/zinc/18/04/08/640180408.db2.gz PKELWRUQWJUQKV-OAHLLOKOSA-N 3 2 280.416 0.026 20 0 CCADLP O=S(=O)([C@@H]1CCC[NH2+]C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000923603463 640221828 /nfs/dbraw/zinc/22/18/28/640221828.db2.gz XUBZSDMWXRSUJU-CYBMUJFWSA-N 2 2 298.412 0.602 20 0 CCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCF)C2)C1 ZINC001015609224 650590793 /nfs/dbraw/zinc/59/07/93/650590793.db2.gz ZLFSWUJNTSILFG-QWHCGFSZSA-N 2 2 287.379 0.256 20 0 CCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](CCF)C2)C1 ZINC001015609224 650590794 /nfs/dbraw/zinc/59/07/94/650590794.db2.gz ZLFSWUJNTSILFG-QWHCGFSZSA-N 2 2 287.379 0.256 20 0 CCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](CCF)C2)C1 ZINC001015609224 650590795 /nfs/dbraw/zinc/59/07/95/650590795.db2.gz ZLFSWUJNTSILFG-QWHCGFSZSA-N 2 2 287.379 0.256 20 0 CCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](CCF)C2)C1 ZINC001015609224 650590796 /nfs/dbraw/zinc/59/07/96/650590796.db2.gz ZLFSWUJNTSILFG-QWHCGFSZSA-N 2 2 287.379 0.256 20 0 CCADLP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H](C)[N@H+]1C ZINC000818621274 641343430 /nfs/dbraw/zinc/34/34/30/641343430.db2.gz RJNJFUOJDIHIOE-BETUJISGSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H](C)[N@@H+]1C ZINC000818621274 641343437 /nfs/dbraw/zinc/34/34/37/641343437.db2.gz RJNJFUOJDIHIOE-BETUJISGSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cnnn1C ZINC000820809672 641536362 /nfs/dbraw/zinc/53/63/62/641536362.db2.gz GHGHZYYJEJBHCZ-NEPJUHHUSA-N 2 2 294.403 0.053 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cnnn1C ZINC000820809672 641536365 /nfs/dbraw/zinc/53/63/65/641536365.db2.gz GHGHZYYJEJBHCZ-NEPJUHHUSA-N 2 2 294.403 0.053 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC001016002496 650673137 /nfs/dbraw/zinc/67/31/37/650673137.db2.gz VHEDVNYVHQCNQS-OLZOCXBDSA-N 2 2 292.383 0.190 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001016002496 650673140 /nfs/dbraw/zinc/67/31/40/650673140.db2.gz VHEDVNYVHQCNQS-OLZOCXBDSA-N 2 2 292.383 0.190 20 0 CCADLP O=C(C[NH+]1CCCC1)NCc1c[nH+]c2n1CCCC2 ZINC000822798728 641702871 /nfs/dbraw/zinc/70/28/71/641702871.db2.gz VCFYWOMRKJAOSP-UHFFFAOYSA-N 2 2 262.357 0.931 20 0 CCADLP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000824289936 641815936 /nfs/dbraw/zinc/81/59/36/641815936.db2.gz DOYIWEUETLMYHZ-MCIONIFRSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000824289936 641815939 /nfs/dbraw/zinc/81/59/39/641815939.db2.gz DOYIWEUETLMYHZ-MCIONIFRSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H](C(=O)N1CC[NH2+][C@H](c2ccc(O)cc2)C1)[NH+](C)C ZINC000825199148 641873402 /nfs/dbraw/zinc/87/34/02/641873402.db2.gz RQVZRGYEZKLQOY-RISCZKNCSA-N 2 2 277.368 0.815 20 0 CCADLP O=C(N1CCC[C@H](c2[nH]cc[nH+]2)C1)[C@@]1(F)CC[NH2+]C1 ZINC000828502751 642099913 /nfs/dbraw/zinc/09/99/13/642099913.db2.gz PXOHVHPYEYEPET-GXFFZTMASA-N 2 2 266.320 0.817 20 0 CCADLP CS[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH+](C)C ZINC000831300764 642347321 /nfs/dbraw/zinc/34/73/21/642347321.db2.gz VDAXVHTWOYCJDI-UWVGGRQHSA-N 2 2 268.386 0.456 20 0 CCADLP [NH3+][C@@H](CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CC1 ZINC000831443835 642364544 /nfs/dbraw/zinc/36/45/44/642364544.db2.gz POGNHNSVYABMLC-OLZOCXBDSA-N 2 2 274.368 0.904 20 0 CCADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000867094083 642537754 /nfs/dbraw/zinc/53/77/54/642537754.db2.gz ZUWFUWXQSKHMPF-GXFFZTMASA-N 2 2 280.372 0.632 20 0 CCADLP CC[NH+]1CCC2(C[C@@H]2NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001016850696 650766289 /nfs/dbraw/zinc/76/62/89/650766289.db2.gz KXTVZZSHJDSMSP-LBPRGKRZSA-N 2 2 262.357 0.943 20 0 CCADLP Cc1ccc(NC(=O)N2CCO[C@H](C[NH3+])C2)c(N(C)C)[nH+]1 ZINC000841154645 642805940 /nfs/dbraw/zinc/80/59/40/642805940.db2.gz KWOJJKVCXUOUAF-LLVKDONJSA-N 2 2 293.371 0.647 20 0 CCADLP [NH3+]CCc1ccc(CNC(=O)NCCn2cc[nH+]c2)cc1 ZINC000841640909 642827214 /nfs/dbraw/zinc/82/72/14/642827214.db2.gz RDJKKPKFBPXWCO-UHFFFAOYSA-N 2 2 287.367 0.884 20 0 CCADLP O[C@@H](C[NH2+]C[C@@H](O)c1cccnc1)C[NH+]1CCCC1 ZINC000843062829 642985265 /nfs/dbraw/zinc/98/52/65/642985265.db2.gz SKISRXYSDUWVPG-UONOGXRCSA-N 2 2 265.357 0.161 20 0 CCADLP C[C@H](CNC(=O)CO[C@H]1CCC[NH2+]C1)Cn1cc[nH+]c1 ZINC000844176365 643171882 /nfs/dbraw/zinc/17/18/82/643171882.db2.gz RGOZJFONQBXODL-OLZOCXBDSA-N 2 2 280.372 0.404 20 0 CCADLP CCC(CC)[C@H](CNC(=[NH2+])NC)[NH+]1CCOCC1 ZINC000848983819 643691320 /nfs/dbraw/zinc/69/13/20/643691320.db2.gz DSYBKAZUROANOB-LBPRGKRZSA-N 2 2 256.394 0.867 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000851660623 643866180 /nfs/dbraw/zinc/86/61/80/643866180.db2.gz VASSODROCWDAES-NXEZZACHSA-N 2 2 255.297 0.001 20 0 CCADLP CC(C)[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001018949306 650923449 /nfs/dbraw/zinc/92/34/49/650923449.db2.gz BQMZVDYMLVZYIB-LBPRGKRZSA-N 2 2 250.346 0.941 20 0 CCADLP CC(C)[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001018949306 650923451 /nfs/dbraw/zinc/92/34/51/650923451.db2.gz BQMZVDYMLVZYIB-LBPRGKRZSA-N 2 2 250.346 0.941 20 0 CCADLP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CCn2cc[nH+]c2C1 ZINC000857847282 644565067 /nfs/dbraw/zinc/56/50/67/644565067.db2.gz MFCRMZSDNFSWBO-VHSXEESVSA-N 2 2 284.310 0.559 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCC(N)=O)cc2)C[NH2+]1 ZINC000863484813 645100262 /nfs/dbraw/zinc/10/02/62/645100262.db2.gz NCZJRAQGJSXXMJ-YPMHNXCESA-N 2 2 277.368 0.781 20 0 CCADLP CO[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)C(F)(F)F ZINC000863552951 645107066 /nfs/dbraw/zinc/10/70/66/645107066.db2.gz RKHIRGYIXFYBGD-UWVGGRQHSA-N 2 2 270.295 0.610 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC001019565786 650988567 /nfs/dbraw/zinc/98/85/67/650988567.db2.gz BHYZGXSYSIXKDE-QWHCGFSZSA-N 2 2 292.383 0.712 20 0 CCADLP C[C@@H]1C[C@H]1NC(=[NH2+])NCC1([NH+]2CCOCC2)CCOCC1 ZINC000864467077 645231940 /nfs/dbraw/zinc/23/19/40/645231940.db2.gz SIQWLXUDAPFYLX-CHWSQXEVSA-N 2 2 296.415 0.390 20 0 CCADLP O=C(/C=C/C[NH+]1CCOCC1)NCCC[NH+]1CCCC1 ZINC000864587631 645241829 /nfs/dbraw/zinc/24/18/29/645241829.db2.gz GPOJCYXUWQSEEO-HWKANZROSA-N 2 2 281.400 0.477 20 0 CCADLP C[C@@H](O)[C@@H](O)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000865738793 645407921 /nfs/dbraw/zinc/40/79/21/645407921.db2.gz PXHBMPBSBAIQIV-KOLCDFICSA-N 2 2 284.322 0.735 20 0 CCADLP Nc1nc(N2CC3(C2)C[NH+](Cc2ccccc2)C3)nc(N)[nH+]1 ZINC000866000472 645457689 /nfs/dbraw/zinc/45/76/89/645457689.db2.gz FPOQFXQFDPSUSI-UHFFFAOYSA-N 2 2 297.366 0.358 20 0 CCADLP CCCN(CC[NH+]1CCCC1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000868275629 645741873 /nfs/dbraw/zinc/74/18/73/645741873.db2.gz GWUXBSMSCRJVNL-CYBMUJFWSA-N 2 2 280.372 0.778 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N[C@H]1C[C@H]([NH2+]CCF)C1 ZINC001020286936 651056176 /nfs/dbraw/zinc/05/61/76/651056176.db2.gz QPZJQUDXJDNCHS-HAQNSBGRSA-N 2 2 281.331 0.839 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001020312856 651058868 /nfs/dbraw/zinc/05/88/68/651058868.db2.gz WEMRNZSDPHKCIV-CYDGBPFRSA-N 2 2 292.383 0.063 20 0 CCADLP C[C@H](NC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[C@H](C)[NH+]1CCOCC1 ZINC000870883107 646034922 /nfs/dbraw/zinc/03/49/22/646034922.db2.gz ZWFDOZAPCDXXEO-AIUMHDJVSA-N 2 2 281.400 0.339 20 0 CCADLP [NH3+][C@H]1CC[C@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000870953846 646060344 /nfs/dbraw/zinc/06/03/44/646060344.db2.gz PMPIYCLKBFEEAI-MGPQQGTHSA-N 2 2 281.400 0.437 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000871600176 646157091 /nfs/dbraw/zinc/15/70/91/646157091.db2.gz KJPCCIGIMZXFAH-TZMCWYRMSA-N 2 2 277.372 0.857 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000871600833 646157220 /nfs/dbraw/zinc/15/72/20/646157220.db2.gz YBNDTKSHLDAQHJ-MBNYWOFBSA-N 2 2 277.372 0.855 20 0 CCADLP C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@H]1C[N@H+](C)CCO1 ZINC000123952300 646208681 /nfs/dbraw/zinc/20/86/81/646208681.db2.gz LAPRDLHCPRYOFW-NWDGAFQWSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000123952300 646208686 /nfs/dbraw/zinc/20/86/86/646208686.db2.gz LAPRDLHCPRYOFW-NWDGAFQWSA-N 2 2 269.389 0.306 20 0 CCADLP Cc1conc1C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872146575 646213188 /nfs/dbraw/zinc/21/31/88/646213188.db2.gz RGKHEEALWFYPSO-UHTWSYAYSA-N 2 2 292.339 0.350 20 0 CCADLP Cc1conc1C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872146575 646213191 /nfs/dbraw/zinc/21/31/91/646213191.db2.gz RGKHEEALWFYPSO-UHTWSYAYSA-N 2 2 292.339 0.350 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCNC(=O)CC12CCOCC2 ZINC000872285589 646238782 /nfs/dbraw/zinc/23/87/82/646238782.db2.gz YLFFDVZUVICODZ-UHFFFAOYSA-N 2 2 292.383 0.563 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCNC(=O)CC12CCOCC2 ZINC000872285589 646238787 /nfs/dbraw/zinc/23/87/87/646238787.db2.gz YLFFDVZUVICODZ-UHFFFAOYSA-N 2 2 292.383 0.563 20 0 CCADLP C[C@@H]1C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@H](CO)O1 ZINC000873209350 646358545 /nfs/dbraw/zinc/35/85/45/646358545.db2.gz MNEYOAWPGKMOIA-ZYHUDNBSSA-N 2 2 282.409 0.975 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@H](CO)O1 ZINC000873209350 646358549 /nfs/dbraw/zinc/35/85/49/646358549.db2.gz MNEYOAWPGKMOIA-ZYHUDNBSSA-N 2 2 282.409 0.975 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292864 646372296 /nfs/dbraw/zinc/37/22/96/646372296.db2.gz GEMOGHZGUCWAMX-HZSPNIEDSA-N 3 2 267.417 0.733 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292866 646372353 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20 0 CCADLP CCC[N@H+]1CCC[C@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000096628597 649822178 /nfs/dbraw/zinc/82/21/78/649822178.db2.gz RCDNTBOPTUZLPO-AWEZNQCLSA-N 2 2 283.416 0.245 20 0 CCADLP CCc1cc(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)nc(C)[nH+]1 ZINC000302075830 719411276 /nfs/dbraw/zinc/41/12/76/719411276.db2.gz HAUYQKGZQHBRPJ-CHWSQXEVSA-N 2 2 262.357 0.867 20 0 CCADLP CCc1cc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)nc(C)[nH+]1 ZINC000302075830 719411298 /nfs/dbraw/zinc/41/12/98/719411298.db2.gz HAUYQKGZQHBRPJ-CHWSQXEVSA-N 2 2 262.357 0.867 20 0 CCADLP CCC[N@@H+]1CC[C@H](C[NH2+]CCS(=O)(=O)CC)C1 ZINC000693003505 790627294 /nfs/dbraw/zinc/62/72/94/790627294.db2.gz HBMVOPSPQWPRCL-GFCCVEGCSA-N 2 2 262.419 0.743 20 0 CCADLP CCC[N@H+]1CC[C@H](C[NH2+]CCS(=O)(=O)CC)C1 ZINC000693003505 790627299 /nfs/dbraw/zinc/62/72/99/790627299.db2.gz HBMVOPSPQWPRCL-GFCCVEGCSA-N 2 2 262.419 0.743 20 0 CCADLP CC[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)CCOC ZINC001266421560 790667648 /nfs/dbraw/zinc/66/76/48/790667648.db2.gz XLBYOUYQLMCUDE-UHFFFAOYSA-N 2 2 254.334 0.037 20 0 CCADLP CC[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)CCOC ZINC001266421560 790667657 /nfs/dbraw/zinc/66/76/57/790667657.db2.gz XLBYOUYQLMCUDE-UHFFFAOYSA-N 2 2 254.334 0.037 20 0 CCADLP Nc1cc(Cl)[nH+]c(N2C[C@H]3COC[C@@H](C2)C3[NH3+])c1 ZINC001167186016 790685082 /nfs/dbraw/zinc/68/50/82/790685082.db2.gz SBGXACCKQAMRCQ-ITGSWZIZSA-N 2 2 268.748 0.727 20 0 CCADLP COCCC[N@@H+]1CC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001266523195 790864976 /nfs/dbraw/zinc/86/49/76/790864976.db2.gz INLSJHPPGQZJQI-AWEZNQCLSA-N 2 2 294.399 0.748 20 0 CCADLP COCCC[N@H+]1CC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001266523195 790864990 /nfs/dbraw/zinc/86/49/90/790864990.db2.gz INLSJHPPGQZJQI-AWEZNQCLSA-N 2 2 294.399 0.748 20 0 CCADLP C[C@@H](F)CC[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167345919 790931356 /nfs/dbraw/zinc/93/13/56/790931356.db2.gz CXWHXEZVSUGTEE-SNVBAGLBSA-N 2 2 256.325 0.796 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCO[C@@H]2C[N@@H+](CCCF)C[C@@H]21 ZINC001083207719 790991720 /nfs/dbraw/zinc/99/17/20/790991720.db2.gz KROJUUMNZMOAIX-QWHCGFSZSA-N 2 2 296.346 0.223 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCO[C@@H]2C[N@H+](CCCF)C[C@@H]21 ZINC001083207719 790991728 /nfs/dbraw/zinc/99/17/28/790991728.db2.gz KROJUUMNZMOAIX-QWHCGFSZSA-N 2 2 296.346 0.223 20 0 CCADLP CNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001167427781 791061574 /nfs/dbraw/zinc/06/15/74/791061574.db2.gz AEMPFXGWZUPNEC-NEPJUHHUSA-N 2 2 295.387 0.065 20 0 CCADLP C[C@H](O)C[NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001167427927 791061819 /nfs/dbraw/zinc/06/18/19/791061819.db2.gz CZEVAHFYILIOPR-RYUDHWBXSA-N 2 2 268.361 0.311 20 0 CCADLP COCC[NH2+]CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001167429312 791065473 /nfs/dbraw/zinc/06/54/73/791065473.db2.gz RKLGOAVCGFOIFI-GFCCVEGCSA-N 2 2 268.361 0.577 20 0 CCADLP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](C)CC1 ZINC001277627152 805906687 /nfs/dbraw/zinc/90/66/87/805906687.db2.gz OIRQHCQKXSWDTN-IYBDPMFKSA-N 3 2 280.460 0.791 20 0 CCADLP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](C)CC1 ZINC001277627152 805906694 /nfs/dbraw/zinc/90/66/94/805906694.db2.gz OIRQHCQKXSWDTN-IYBDPMFKSA-N 3 2 280.460 0.791 20 0 CCADLP CCC[C@H](O)C[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001245983434 807106524 /nfs/dbraw/zinc/10/65/24/807106524.db2.gz GLBDKBGWFRRYOB-OLZOCXBDSA-N 3 2 255.406 0.611 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000723879268 791305955 /nfs/dbraw/zinc/30/59/55/791305955.db2.gz MVGJGYLLQHEEMQ-NWDGAFQWSA-N 2 2 292.445 0.414 20 0 CCADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724024623 791376942 /nfs/dbraw/zinc/37/69/42/791376942.db2.gz FFQRWHSSHSKJFO-JGVFFNPUSA-N 2 2 294.264 0.447 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)C1CCC([NH3+])CC1 ZINC000382380853 791415625 /nfs/dbraw/zinc/41/56/25/791415625.db2.gz RGURMUQLQOODDT-RUXDESIVSA-N 3 2 273.421 0.127 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)C1CCC([NH3+])CC1 ZINC000382380853 791415636 /nfs/dbraw/zinc/41/56/36/791415636.db2.gz RGURMUQLQOODDT-RUXDESIVSA-N 3 2 273.421 0.127 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000382380853 791415645 /nfs/dbraw/zinc/41/56/45/791415645.db2.gz RGURMUQLQOODDT-RUXDESIVSA-N 3 2 273.421 0.127 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000382380853 791415649 /nfs/dbraw/zinc/41/56/49/791415649.db2.gz RGURMUQLQOODDT-RUXDESIVSA-N 3 2 273.421 0.127 20 0 CCADLP COCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001267012650 791443834 /nfs/dbraw/zinc/44/38/34/791443834.db2.gz YBZCJYNUGZWZFU-YNEHKIRRSA-N 2 2 292.383 0.740 20 0 CCADLP COCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001267012650 791443841 /nfs/dbraw/zinc/44/38/41/791443841.db2.gz YBZCJYNUGZWZFU-YNEHKIRRSA-N 2 2 292.383 0.740 20 0 CCADLP CC(C)OCC[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001267063922 791491789 /nfs/dbraw/zinc/49/17/89/791491789.db2.gz ZBOPFUHYXQHXTM-CYBMUJFWSA-N 2 2 294.399 0.815 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](C[NH2+]CCF)C1 ZINC001267063730 791491811 /nfs/dbraw/zinc/49/18/11/791491811.db2.gz VXXPNMOGGMQOSY-JTQLQIEISA-N 2 2 254.309 0.360 20 0 CCADLP C[C@H](O)C[NH2+]CC1(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001167529094 791511226 /nfs/dbraw/zinc/51/12/26/791511226.db2.gz ZITRBNAAFNCKQU-NSHDSACASA-N 2 2 280.372 0.209 20 0 CCADLP Cc1ccncc1C[NH2+]CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001267143225 791587312 /nfs/dbraw/zinc/58/73/12/791587312.db2.gz DRJJLNLZJCWENA-UHFFFAOYSA-N 2 2 287.367 0.835 20 0 CCADLP C[C@H](O)CCC[N@H+](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001267224497 791699370 /nfs/dbraw/zinc/69/93/70/791699370.db2.gz FJTOEXJLFLSMRE-NSHDSACASA-N 2 2 268.361 0.161 20 0 CCADLP C[C@H](O)CCC[N@@H+](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001267224497 791699374 /nfs/dbraw/zinc/69/93/74/791699374.db2.gz FJTOEXJLFLSMRE-NSHDSACASA-N 2 2 268.361 0.161 20 0 CCADLP COCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001233976025 806161087 /nfs/dbraw/zinc/16/10/87/806161087.db2.gz BFQJNKHNHXSWMN-CYBMUJFWSA-N 2 2 294.399 0.912 20 0 CCADLP COCCC[N@H+]1CC[C@@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001233976025 806161095 /nfs/dbraw/zinc/16/10/95/806161095.db2.gz BFQJNKHNHXSWMN-CYBMUJFWSA-N 2 2 294.399 0.912 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001234010406 806167318 /nfs/dbraw/zinc/16/73/18/806167318.db2.gz CYAATTTYOUOXCV-CHWSQXEVSA-N 2 2 294.399 0.910 20 0 CCADLP C[N@@H+]1CCN(C(=O)C[C@@H]([NH3+])C(F)F)CCC1(C)C ZINC000724727973 793251309 /nfs/dbraw/zinc/25/13/09/793251309.db2.gz RZDVODDVKSOWPE-SECBINFHSA-N 2 2 263.332 0.912 20 0 CCADLP C[N@H+]1CCN(C(=O)C[C@@H]([NH3+])C(F)F)CCC1(C)C ZINC000724727973 793251324 /nfs/dbraw/zinc/25/13/24/793251324.db2.gz RZDVODDVKSOWPE-SECBINFHSA-N 2 2 263.332 0.912 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@@H]1C[NH2+]CCCO ZINC001277873297 806294591 /nfs/dbraw/zinc/29/45/91/806294591.db2.gz GRNSTVSKBLJOEC-JHJVBQTASA-N 2 2 292.383 0.476 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@@H]1C[NH2+]CCCO ZINC001277873297 806294598 /nfs/dbraw/zinc/29/45/98/806294598.db2.gz GRNSTVSKBLJOEC-JHJVBQTASA-N 2 2 292.383 0.476 20 0 CCADLP c1[nH]c2ncncc2c1C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235059787 806361684 /nfs/dbraw/zinc/36/16/84/806361684.db2.gz FKTAIQAYLVKBGG-CQSZACIVSA-N 2 2 272.356 0.047 20 0 CCADLP c1[nH]c2ncncc2c1C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235059787 806361691 /nfs/dbraw/zinc/36/16/91/806361691.db2.gz FKTAIQAYLVKBGG-CQSZACIVSA-N 2 2 272.356 0.047 20 0 CCADLP Cn1cnc2ccc(C[N@@H+]3CCN[C@]4(CC[NH2+]C4)C3)cc21 ZINC001235063736 806366111 /nfs/dbraw/zinc/36/61/11/806366111.db2.gz RHDIOQSIDDTFSQ-INIZCTEOSA-N 2 2 285.395 0.711 20 0 CCADLP Cn1cnc2ccc(C[N@H+]3CCN[C@]4(CC[NH2+]C4)C3)cc21 ZINC001235063736 806366121 /nfs/dbraw/zinc/36/61/21/806366121.db2.gz RHDIOQSIDDTFSQ-INIZCTEOSA-N 2 2 285.395 0.711 20 0 CCADLP F[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCN[C@H](C(F)(F)F)C1 ZINC001246078243 807143853 /nfs/dbraw/zinc/14/38/53/807143853.db2.gz AETDHMHHYNRGDO-IMSYWVGJSA-N 2 2 269.286 0.959 20 0 CCADLP C[C@@H]([NH3+])C[N@H+]1C[C@H]2CN(C(=O)c3ccco3)C[C@H]2C1 ZINC001235583450 806463952 /nfs/dbraw/zinc/46/39/52/806463952.db2.gz QPSLANORXCZDIG-UTUOFQBUSA-N 2 2 263.341 0.631 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+]1C[C@H]2CN(C(=O)c3ccco3)C[C@H]2C1 ZINC001235583450 806463953 /nfs/dbraw/zinc/46/39/53/806463953.db2.gz QPSLANORXCZDIG-UTUOFQBUSA-N 2 2 263.341 0.631 20 0 CCADLP [NH3+]CC[N@@H+]1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)N2CCCC2)C1 ZINC001235628399 806476658 /nfs/dbraw/zinc/47/66/58/806476658.db2.gz AKCPLAOPLGYWAR-MCIONIFRSA-N 2 2 281.400 0.295 20 0 CCADLP [NH3+]CC[N@H+]1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)N2CCCC2)C1 ZINC001235628399 806476663 /nfs/dbraw/zinc/47/66/63/806476663.db2.gz AKCPLAOPLGYWAR-MCIONIFRSA-N 2 2 281.400 0.295 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@]2(CCN(c3cncnc3)C2=O)C1 ZINC001235661667 806487468 /nfs/dbraw/zinc/48/74/68/806487468.db2.gz VAAQISNKIONAEG-IUODEOHRSA-N 2 2 289.383 0.643 20 0 CCADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@@]2(CCN(c3cncnc3)C2=O)C1 ZINC001235661667 806487474 /nfs/dbraw/zinc/48/74/74/806487474.db2.gz VAAQISNKIONAEG-IUODEOHRSA-N 2 2 289.383 0.643 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@H]2[C@@H]1CCN2CCn1cc[nH+]c1 ZINC001277960817 806488303 /nfs/dbraw/zinc/48/83/03/806488303.db2.gz MZBGIOUKVGIBSF-RDBSUJKOSA-N 2 2 264.373 0.413 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@H]2[C@@H]1CCN2CCn1cc[nH+]c1 ZINC001277960817 806488306 /nfs/dbraw/zinc/48/83/06/806488306.db2.gz MZBGIOUKVGIBSF-RDBSUJKOSA-N 2 2 264.373 0.413 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2CCn1cc[nH+]c1 ZINC001277961028 806489511 /nfs/dbraw/zinc/48/95/11/806489511.db2.gz PXWXINVOYNBGGF-MELADBBJSA-N 2 2 264.373 0.413 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2CCn1cc[nH+]c1 ZINC001277961028 806489513 /nfs/dbraw/zinc/48/95/13/806489513.db2.gz PXWXINVOYNBGGF-MELADBBJSA-N 2 2 264.373 0.413 20 0 CCADLP C[N@H+](C1COC1)C1CN(C[C@H]([NH3+])Cc2ccccc2)C1 ZINC001235892576 806515683 /nfs/dbraw/zinc/51/56/83/806515683.db2.gz PGKLHSLTMDVJMW-CQSZACIVSA-N 2 2 275.396 0.571 20 0 CCADLP C[N@@H+](C1COC1)C1CN(C[C@H]([NH3+])Cc2ccccc2)C1 ZINC001235892576 806515692 /nfs/dbraw/zinc/51/56/92/806515692.db2.gz PGKLHSLTMDVJMW-CQSZACIVSA-N 2 2 275.396 0.571 20 0 CCADLP CC1(C)[NH2+]C[C@@H](CN2CC([N@@H+]3CC[C@H](F)C3)C2)O1 ZINC001235892396 806515724 /nfs/dbraw/zinc/51/57/24/806515724.db2.gz PLJIOKQBZFKGRG-JQWIXIFHSA-N 2 2 257.353 0.439 20 0 CCADLP CC1(C)[NH2+]C[C@@H](CN2CC([N@H+]3CC[C@H](F)C3)C2)O1 ZINC001235892396 806515737 /nfs/dbraw/zinc/51/57/37/806515737.db2.gz PLJIOKQBZFKGRG-JQWIXIFHSA-N 2 2 257.353 0.439 20 0 CCADLP CC(C)(CN1C[C@@H]2CC[C@@]2([NH3+])C1)[NH+]1CCOCC1 ZINC001235977827 806520823 /nfs/dbraw/zinc/52/08/23/806520823.db2.gz IBNFVAQGNZSIMY-GXTWGEPZSA-N 2 2 253.390 0.520 20 0 CCADLP CC(C)(C[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1)N1CCOCC1 ZINC001235977827 806520828 /nfs/dbraw/zinc/52/08/28/806520828.db2.gz IBNFVAQGNZSIMY-GXTWGEPZSA-N 2 2 253.390 0.520 20 0 CCADLP CC(C)(C[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1)N1CCOCC1 ZINC001235977827 806520834 /nfs/dbraw/zinc/52/08/34/806520834.db2.gz IBNFVAQGNZSIMY-GXTWGEPZSA-N 2 2 253.390 0.520 20 0 CCADLP COC(=O)c1ccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])o1 ZINC001235999011 806526864 /nfs/dbraw/zinc/52/68/64/806526864.db2.gz VIMXQNPMFYMLLT-HWYHXSKPSA-N 2 2 280.324 0.472 20 0 CCADLP CCOC(=O)[C@]12C[N@H+](Cc3[nH]cnc3C)C[C@H]1C[NH2+]CC2 ZINC001236038547 806532529 /nfs/dbraw/zinc/53/25/29/806532529.db2.gz KXZFNLCNVFAPQV-IUODEOHRSA-N 2 2 292.383 0.693 20 0 CCADLP CCOC(=O)[C@]12C[N@@H+](Cc3[nH]cnc3C)C[C@H]1C[NH2+]CC2 ZINC001236038547 806532532 /nfs/dbraw/zinc/53/25/32/806532532.db2.gz KXZFNLCNVFAPQV-IUODEOHRSA-N 2 2 292.383 0.693 20 0 CCADLP COC(=O)c1ccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])o1 ZINC001235999011 806526859 /nfs/dbraw/zinc/52/68/59/806526859.db2.gz VIMXQNPMFYMLLT-HWYHXSKPSA-N 2 2 280.324 0.472 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1[nH+]c2ccccn2c1C ZINC001236195944 806549087 /nfs/dbraw/zinc/54/90/87/806549087.db2.gz JBEFROJWAMKZGZ-YPMHNXCESA-N 2 2 288.351 0.717 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1ccn2cc[nH+]c2c1 ZINC001236197384 806550485 /nfs/dbraw/zinc/55/04/85/806550485.db2.gz HXDGTLDLXLFBRJ-RYUDHWBXSA-N 2 2 274.324 0.409 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](CC2Cc3ccccc3C2)C[C@@H]1[NH3+] ZINC001236337836 806568640 /nfs/dbraw/zinc/56/86/40/806568640.db2.gz BHRVOFSRFJTERT-CABCVRRESA-N 2 2 274.364 0.834 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](CC2Cc3ccccc3C2)C[C@@H]1[NH3+] ZINC001236337836 806568648 /nfs/dbraw/zinc/56/86/48/806568648.db2.gz BHRVOFSRFJTERT-CABCVRRESA-N 2 2 274.364 0.834 20 0 CCADLP COC(=O)[C@@H]1CN(Cc2[nH+]c3ccccn3c2C)C[C@@H]1[NH3+] ZINC001236339252 806570193 /nfs/dbraw/zinc/57/01/93/806570193.db2.gz CXOPZJWXEXPVOT-NEPJUHHUSA-N 2 2 288.351 0.575 20 0 CCADLP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CCO)CC2)C1 ZINC001236350776 806581343 /nfs/dbraw/zinc/58/13/43/806581343.db2.gz BHDGODGOFDSTTP-GFCCVEGCSA-N 2 2 270.373 0.328 20 0 CCADLP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CCO)CC2)C1 ZINC001236350776 806581347 /nfs/dbraw/zinc/58/13/47/806581347.db2.gz BHDGODGOFDSTTP-GFCCVEGCSA-N 2 2 270.373 0.328 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@]2(C(F)(F)F)CC[NH2+]C2)CN1 ZINC001246110904 807155169 /nfs/dbraw/zinc/15/51/69/807155169.db2.gz JEPXNWYRDSXWJG-YWVKMMECSA-N 2 2 295.305 0.022 20 0 CCADLP CCCCc1[nH]c(CN2C[C@H]([NH3+])[C@H](C(=O)OC)C2)c[nH+]1 ZINC001236353781 806583792 /nfs/dbraw/zinc/58/37/92/806583792.db2.gz XKKNIGBDRJDTJL-NEPJUHHUSA-N 2 2 280.372 0.684 20 0 CCADLP CCCCc1[nH]cc(CN2C[C@H]([NH3+])[C@H](C(=O)OC)C2)[nH+]1 ZINC001236353781 806583800 /nfs/dbraw/zinc/58/38/00/806583800.db2.gz XKKNIGBDRJDTJL-NEPJUHHUSA-N 2 2 280.372 0.684 20 0 CCADLP C[C@@H]([NH3+])C[NH+]1CCC2(CCN(S(C)(=O)=O)CC2)CC1 ZINC001237059463 806635339 /nfs/dbraw/zinc/63/53/39/806635339.db2.gz BRNYTELBJSBOMU-GFCCVEGCSA-N 2 2 289.445 0.471 20 0 CCADLP CS(=O)(=O)N1CCC2(CC1)CC[NH+](CC[NH3+])CC2 ZINC001237066143 806636722 /nfs/dbraw/zinc/63/67/22/806636722.db2.gz YMMRPZQNJZOMHD-UHFFFAOYSA-N 2 2 275.418 0.083 20 0 CCADLP C[C@H]([NH3+])CC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000722389847 806651593 /nfs/dbraw/zinc/65/15/93/806651593.db2.gz FGZXWJXIFJBBRN-QMMMGPOBSA-N 2 2 256.375 0.558 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1[NH2+]CC12CCCC2 ZINC001121829105 799074270 /nfs/dbraw/zinc/07/42/70/799074270.db2.gz JSURFSZRKNZKLH-RYUDHWBXSA-N 2 2 262.357 0.920 20 0 CCADLP C[C@H](CNC(=O)C12CCC(CC1)[NH2+]2)Cn1cc[nH+]c1 ZINC001121909800 799090331 /nfs/dbraw/zinc/09/03/31/799090331.db2.gz CAAIYLPPMOJBKZ-LKSINWNRSA-N 2 2 262.357 0.920 20 0 CCADLP O=C(C[C@@]1(O)CCC[NH2+]C1)NCCCNc1cccc[nH+]1 ZINC001121991033 799114674 /nfs/dbraw/zinc/11/46/74/799114674.db2.gz LKSAOPNXYQNWHP-HNNXBMFYSA-N 2 2 292.383 0.504 20 0 CCADLP C[NH2+]C[C@H](O)[C@@H](C)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC001121995891 799117057 /nfs/dbraw/zinc/11/70/57/799117057.db2.gz YNAPDQFNKOZOKD-YPMHNXCESA-N 2 2 265.357 0.531 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C[C@@H]([NH3+])C(F)F ZINC001122005811 799120157 /nfs/dbraw/zinc/12/01/57/799120157.db2.gz VAOSBMLWXLPWFS-QNSHHTMESA-N 2 2 261.316 0.568 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C[C@@H]([NH3+])C(F)F ZINC001122005811 799120161 /nfs/dbraw/zinc/12/01/61/799120161.db2.gz VAOSBMLWXLPWFS-QNSHHTMESA-N 2 2 261.316 0.568 20 0 CCADLP CC1(C)CC[C@@H]1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001122157883 799157142 /nfs/dbraw/zinc/15/71/42/799157142.db2.gz XFNQJZCDBUCQHV-GFCCVEGCSA-N 2 2 253.390 0.962 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1([NH3+])CCOCC1 ZINC001122165879 799159532 /nfs/dbraw/zinc/15/95/32/799159532.db2.gz LCESQVHAYNKVSD-JTQLQIEISA-N 2 2 266.345 0.212 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1([NH3+])CCOCC1 ZINC001122165879 799159533 /nfs/dbraw/zinc/15/95/33/799159533.db2.gz LCESQVHAYNKVSD-JTQLQIEISA-N 2 2 266.345 0.212 20 0 CCADLP Cc1cnc([C@@H](C)[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001124878412 799642786 /nfs/dbraw/zinc/64/27/86/799642786.db2.gz LSGZXOPUJXRANW-VXGBXAGGSA-N 2 2 280.372 0.844 20 0 CCADLP Cc1cnc([C@@H](C)[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001124878412 799642792 /nfs/dbraw/zinc/64/27/92/799642792.db2.gz LSGZXOPUJXRANW-VXGBXAGGSA-N 2 2 280.372 0.844 20 0 CCADLP CCc1nnc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)[nH]1 ZINC001124878452 799642890 /nfs/dbraw/zinc/64/28/90/799642890.db2.gz MSACGZCZFBYYDB-QWRGUYRKSA-N 2 2 294.403 0.228 20 0 CCADLP CCc1nnc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)[nH]1 ZINC001124878452 799642893 /nfs/dbraw/zinc/64/28/93/799642893.db2.gz MSACGZCZFBYYDB-QWRGUYRKSA-N 2 2 294.403 0.228 20 0 CCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[NH+]1CCC([NH+]2CCC2)CC1 ZINC001138468826 799733231 /nfs/dbraw/zinc/73/32/31/799733231.db2.gz OUCUATKAWQDQCQ-UHFFFAOYSA-N 2 2 278.356 0.866 20 0 CCADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC001202878162 799768948 /nfs/dbraw/zinc/76/89/48/799768948.db2.gz MOLSUSSPDLHMEU-DZGCQCFKSA-N 2 2 295.427 0.840 20 0 CCADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC001202878162 799768953 /nfs/dbraw/zinc/76/89/53/799768953.db2.gz MOLSUSSPDLHMEU-DZGCQCFKSA-N 2 2 295.427 0.840 20 0 CCADLP C[N@H+](C1CC1)C1CC[NH+](C[C@H]2CCC(=O)N2)CC1 ZINC001202898954 799784222 /nfs/dbraw/zinc/78/42/22/799784222.db2.gz KJBSQMKQDACRDN-LLVKDONJSA-N 2 2 251.374 0.824 20 0 CCADLP C[N@@H+](C1CC1)C1CC[NH+](C[C@H]2CCC(=O)N2)CC1 ZINC001202898954 799784226 /nfs/dbraw/zinc/78/42/26/799784226.db2.gz KJBSQMKQDACRDN-LLVKDONJSA-N 2 2 251.374 0.824 20 0 CCADLP CC[NH+]1C[C@H]2C[NH+](CC3C(=O)N=CNC3=O)C[C@@H]2C1 ZINC001140475179 799916356 /nfs/dbraw/zinc/91/63/56/799916356.db2.gz WNFDTAJLKYPACA-UWVGGRQHSA-N 2 2 264.329 0.271 20 0 CCADLP OC[C@@H]1C[N@H+](Cc2c[nH]c3cc[nH+]cc23)CC[C@@H]1O ZINC001140801807 799942122 /nfs/dbraw/zinc/94/21/22/799942122.db2.gz GITDQRBUQLRRLC-FZMZJTMJSA-N 2 2 261.325 0.738 20 0 CCADLP OC[C@@H]1C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CC[C@@H]1O ZINC001140801807 799942129 /nfs/dbraw/zinc/94/21/29/799942129.db2.gz GITDQRBUQLRRLC-FZMZJTMJSA-N 2 2 261.325 0.738 20 0 CCADLP C[N@@H+]1CCO[C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001142913492 800172878 /nfs/dbraw/zinc/17/28/78/800172878.db2.gz YOPLPAXFFAGGPJ-KGLIPLIRSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@H+]1CCO[C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]21 ZINC001142913492 800172881 /nfs/dbraw/zinc/17/28/81/800172881.db2.gz YOPLPAXFFAGGPJ-KGLIPLIRSA-N 2 2 281.400 0.404 20 0 CCADLP [NH3+]CC[NH2+]CCNS(=O)(=O)CC1CCCCC1 ZINC001238837391 806810698 /nfs/dbraw/zinc/81/06/98/806810698.db2.gz DKCLENHGWBXOIK-UHFFFAOYSA-N 2 2 263.407 0.034 20 0 CCADLP [NH3+]CC[NH2+]CCNS(=O)(=O)c1cc(Cl)ccc1F ZINC001238838684 806812627 /nfs/dbraw/zinc/81/26/27/806812627.db2.gz MAXAACRYPRADTD-UHFFFAOYSA-N 2 2 295.767 0.306 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]Cc1cccnc1 ZINC001149553237 800275953 /nfs/dbraw/zinc/27/59/53/800275953.db2.gz HCZROMUBNRRIFP-UHFFFAOYSA-N 2 2 287.367 0.654 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1C[N@H+](CCF)CCCO1 ZINC001149982496 800310605 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CCn1ccc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2C)n1 ZINC001151121138 800400698 /nfs/dbraw/zinc/40/06/98/800400698.db2.gz BROROYITYXGUDJ-UHFFFAOYSA-N 2 2 290.371 0.314 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[NH2+][C@H](C)c1ncccn1 ZINC001151121505 800401018 /nfs/dbraw/zinc/40/10/18/800401018.db2.gz HBFKKOYOYCNSNQ-LLVKDONJSA-N 2 2 288.355 0.449 20 0 CCADLP CC[C@H](C)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001151814117 800461014 /nfs/dbraw/zinc/46/10/14/800461014.db2.gz DCHIKZPXMUFALM-ZFWWWQNUSA-N 2 2 297.443 0.849 20 0 CCADLP O=C(NCC[NH+]1CC2(COC2)C1)c1ccn2c[nH+]cc2c1 ZINC001151909624 800470088 /nfs/dbraw/zinc/47/00/88/800470088.db2.gz VRWLHNUKHSIPLZ-UHFFFAOYSA-N 2 2 286.335 0.396 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]Cc1cncc(F)c1 ZINC001153487515 800634300 /nfs/dbraw/zinc/63/43/00/800634300.db2.gz AYXBBSVZSFIVAW-UHFFFAOYSA-N 2 2 277.303 0.323 20 0 CCADLP CC[N@H+](CCO)[C@H](C)CNC(=O)Cc1c[nH+]ccc1OC ZINC001154005135 800702806 /nfs/dbraw/zinc/70/28/06/800702806.db2.gz ZAQBYBWOTBKPJR-GFCCVEGCSA-N 2 2 295.383 0.452 20 0 CCADLP CC[N@@H+](CCO)[C@H](C)CNC(=O)Cc1c[nH+]ccc1OC ZINC001154005135 800702808 /nfs/dbraw/zinc/70/28/08/800702808.db2.gz ZAQBYBWOTBKPJR-GFCCVEGCSA-N 2 2 295.383 0.452 20 0 CCADLP CN(C)c1cc(N2CCOC[C@@H]2C[NH+](C)C)nc[nH+]1 ZINC001154962469 800880451 /nfs/dbraw/zinc/88/04/51/800880451.db2.gz SIVHGPBTZGJGDE-NSHDSACASA-N 2 2 265.361 0.309 20 0 CCADLP Cc1cnc(NC[C@@H]2C[N@H+](C)CCO2)c(C[NH3+])c1 ZINC001155197540 800930020 /nfs/dbraw/zinc/93/00/20/800930020.db2.gz PDEIZGOANDQWSD-GFCCVEGCSA-N 2 2 250.346 0.591 20 0 CCADLP Cc1cnc(NC[C@@H]2C[N@@H+](C)CCO2)c(C[NH3+])c1 ZINC001155197540 800930022 /nfs/dbraw/zinc/93/00/22/800930022.db2.gz PDEIZGOANDQWSD-GFCCVEGCSA-N 2 2 250.346 0.591 20 0 CCADLP Cc1cc[nH+]c(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)c1C(N)=O ZINC001155522288 800998355 /nfs/dbraw/zinc/99/83/55/800998355.db2.gz FIJJLLJTMXUGRC-UTUOFQBUSA-N 2 2 290.367 0.525 20 0 CCADLP COc1c[nH+]c(NC[C@@]23C[NH2+][C@@H](CO2)C3)nc1NC(C)C ZINC001155537130 801001057 /nfs/dbraw/zinc/00/10/57/801001057.db2.gz AZVATMUENMTBFR-QMTHXVAHSA-N 2 2 293.371 0.848 20 0 CCADLP Cc1nc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)c(C)c(C)[nH+]1 ZINC001155582094 801016045 /nfs/dbraw/zinc/01/60/45/801016045.db2.gz YREIFDRCZLIYFW-GWCFXTLKSA-N 2 2 261.329 0.392 20 0 CCADLP CC[N@H+](CCCO)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001155750992 801047646 /nfs/dbraw/zinc/04/76/46/801047646.db2.gz CTQLPBQCDARMIK-CHWSQXEVSA-N 2 2 296.415 0.797 20 0 CCADLP CC[N@@H+](CCCO)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001155750992 801047653 /nfs/dbraw/zinc/04/76/53/801047653.db2.gz CTQLPBQCDARMIK-CHWSQXEVSA-N 2 2 296.415 0.797 20 0 CCADLP CC[N@H+](CCCO)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001155750992 801047658 /nfs/dbraw/zinc/04/76/58/801047658.db2.gz CTQLPBQCDARMIK-CHWSQXEVSA-N 2 2 296.415 0.797 20 0 CCADLP CC[N@@H+](CCCO)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001155750992 801047663 /nfs/dbraw/zinc/04/76/63/801047663.db2.gz CTQLPBQCDARMIK-CHWSQXEVSA-N 2 2 296.415 0.797 20 0 CCADLP CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC001157081642 801296562 /nfs/dbraw/zinc/29/65/62/801296562.db2.gz CGLSEEQPDXEICI-SMDDNHRTSA-N 2 2 294.355 0.142 20 0 CCADLP CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC001157081642 801296567 /nfs/dbraw/zinc/29/65/67/801296567.db2.gz CGLSEEQPDXEICI-SMDDNHRTSA-N 2 2 294.355 0.142 20 0 CCADLP CCC(CO)(CO)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001157199632 801323323 /nfs/dbraw/zinc/32/33/23/801323323.db2.gz QTLRHYHSWWHWJH-UHFFFAOYSA-N 2 2 280.372 0.037 20 0 CCADLP CC[N@H+](C[C@H](C)O)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157294383 801345120 /nfs/dbraw/zinc/34/51/20/801345120.db2.gz YHEBJCFKBGPUDY-NEPJUHHUSA-N 2 2 268.361 0.091 20 0 CCADLP CC[N@@H+](C[C@H](C)O)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157294383 801345125 /nfs/dbraw/zinc/34/51/25/801345125.db2.gz YHEBJCFKBGPUDY-NEPJUHHUSA-N 2 2 268.361 0.091 20 0 CCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CC2(C1)CC(F)(F)C2 ZINC001157521260 801404684 /nfs/dbraw/zinc/40/46/84/801404684.db2.gz FTCHVFZXPZIRRH-LPEHRKFASA-N 2 2 271.311 0.194 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)N1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC001157566910 801422723 /nfs/dbraw/zinc/42/27/23/801422723.db2.gz GIZAQUZWAVWNQT-VWYCJHECSA-N 2 2 253.346 0.023 20 0 CCADLP CC1([NH3+])CN(C(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)C1 ZINC001157629789 801440900 /nfs/dbraw/zinc/44/09/00/801440900.db2.gz SOXZFMKYPBXQJQ-GFCCVEGCSA-N 2 2 274.368 0.858 20 0 CCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N1CCCC(F)(F)CC1 ZINC001157707958 801459653 /nfs/dbraw/zinc/45/96/53/801459653.db2.gz CLSXHZKBBIZPRQ-GARJFASQSA-N 2 2 273.327 0.584 20 0 CCADLP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@@H]2C[NH2+]CC(F)(F)C2)CC1 ZINC001157741534 801468357 /nfs/dbraw/zinc/46/83/57/801468357.db2.gz ZBUUUEKDKSIUOH-CMPLNLGQSA-N 2 2 293.333 0.911 20 0 CCADLP Nc1cc(CC(=O)N2CCC[C@](F)(C[NH3+])CC2)cc[nH+]1 ZINC001157756315 801473976 /nfs/dbraw/zinc/47/39/76/801473976.db2.gz WZCPMAUNKFCHRC-CQSZACIVSA-N 2 2 280.347 0.886 20 0 CCADLP C[C@@H]1CCN(C(=O)c2nc3c(s2)C[N@H+](C)CC3)C[C@@H]1[NH3+] ZINC001157828407 801496750 /nfs/dbraw/zinc/49/67/50/801496750.db2.gz CCCVFGQSJDDQIC-ZJUUUORDSA-N 2 2 294.424 0.940 20 0 CCADLP C[C@@H]1CCN(C(=O)c2nc3c(s2)C[N@@H+](C)CC3)C[C@@H]1[NH3+] ZINC001157828407 801496754 /nfs/dbraw/zinc/49/67/54/801496754.db2.gz CCCVFGQSJDDQIC-ZJUUUORDSA-N 2 2 294.424 0.940 20 0 CCADLP C[C@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CCC1(F)F ZINC001157846066 801500737 /nfs/dbraw/zinc/50/07/37/801500737.db2.gz GGKYQYIOTZLMIV-GUBZILKMSA-N 2 2 261.316 0.427 20 0 CCADLP CC1(C)CN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)[C@](C)(CO)C1 ZINC001157923468 801522889 /nfs/dbraw/zinc/52/28/89/801522889.db2.gz DMUJYAVYXXZWHY-RISCZKNCSA-N 2 2 280.372 0.289 20 0 CCADLP CCCCC[C@H]([NH2+]C)C(=O)N1CC[NH2+]C[C@H]1C(=O)OCC ZINC001158007446 801552351 /nfs/dbraw/zinc/55/23/51/801552351.db2.gz SBFKBBQPAPWMMJ-STQMWFEESA-N 2 2 299.415 0.518 20 0 CCADLP CC(C)N(c1cc(N2CCOCC2)[nH+]cn1)[C@H]1CC[NH2+]C1 ZINC001158022440 801555056 /nfs/dbraw/zinc/55/50/56/801555056.db2.gz OCDNGFMHNMSOFK-ZDUSSCGKSA-N 2 2 291.399 0.890 20 0 CCADLP COc1nc2ccccc2nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158203480 801591801 /nfs/dbraw/zinc/59/18/01/801591801.db2.gz AGDNMUCHMDXLAB-SNVBAGLBSA-N 2 2 299.334 0.686 20 0 CCADLP COc1ccc(C)nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158204194 801592404 /nfs/dbraw/zinc/59/24/04/801592404.db2.gz MLXLVTRNGUZEAF-SNVBAGLBSA-N 2 2 262.313 0.446 20 0 CCADLP COc1ccc(Cl)nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158206226 801594009 /nfs/dbraw/zinc/59/40/09/801594009.db2.gz DUWFSIWNNCYQCS-MRVPVSSYSA-N 2 2 282.731 0.791 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncc(OC(F)F)cn1 ZINC001158206588 801594346 /nfs/dbraw/zinc/59/43/46/801594346.db2.gz VPPKHBFVLOKKLL-SSDOTTSWSA-N 2 2 285.254 0.126 20 0 CCADLP CC(C)(C)c1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ncn1 ZINC001158206739 801594876 /nfs/dbraw/zinc/59/48/76/801594876.db2.gz ZGIUQKDOBNLCSJ-SNVBAGLBSA-N 2 2 275.356 0.822 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Nc2cc(N3CCCC3)cc[nH+]2)C[NH2+]1 ZINC001158255345 801605329 /nfs/dbraw/zinc/60/53/29/801605329.db2.gz RDHULQITDYICKE-YPMHNXCESA-N 2 2 290.367 0.997 20 0 CCADLP COc1cc(C)nc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158260383 801608492 /nfs/dbraw/zinc/60/84/92/801608492.db2.gz CTNUFOPLUSJRBF-GFCCVEGCSA-N 2 2 291.399 0.795 20 0 CCADLP COc1cc(C)nc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158260383 801608495 /nfs/dbraw/zinc/60/84/95/801608495.db2.gz CTNUFOPLUSJRBF-GFCCVEGCSA-N 2 2 291.399 0.795 20 0 CCADLP CN(C)c1cccc(NC[C@H]2COCC[N@@H+]2C)[nH+]1 ZINC001158699293 801684113 /nfs/dbraw/zinc/68/41/13/801684113.db2.gz BCMIRAFYZJHWKP-NSHDSACASA-N 2 2 250.346 0.890 20 0 CCADLP CN(C)c1cccc(NC[C@H]2COCC[N@H+]2C)[nH+]1 ZINC001158699293 801684115 /nfs/dbraw/zinc/68/41/15/801684115.db2.gz BCMIRAFYZJHWKP-NSHDSACASA-N 2 2 250.346 0.890 20 0 CCADLP CCCc1cc(N2C[C@H]([NH3+])C3(COC3)C2)nc(C)[nH+]1 ZINC001158765749 801702151 /nfs/dbraw/zinc/70/21/51/801702151.db2.gz JYNYMSDULPVGGU-LBPRGKRZSA-N 2 2 262.357 0.901 20 0 CCADLP Cc1nc(N2C[C@H]([NH3+])C3(COC3)C2)c2c([nH+]1)CCC2 ZINC001158765997 801703110 /nfs/dbraw/zinc/70/31/10/801703110.db2.gz PMOOPNBLTBQOSE-LBPRGKRZSA-N 2 2 260.341 0.438 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCCC[NH2+]Cc1cnns1 ZINC001159537237 801831326 /nfs/dbraw/zinc/83/13/26/801831326.db2.gz QNOAJFKMOSDISA-UHFFFAOYSA-N 2 2 294.384 0.490 20 0 CCADLP CCN(CC)c1cc(N[C@]([NH3+])(CC)CO)nc[nH+]1 ZINC001159743177 801857944 /nfs/dbraw/zinc/85/79/44/801857944.db2.gz GHRKWVOMKXLNGE-GFCCVEGCSA-N 2 2 253.350 0.792 20 0 CCADLP C[NH2+]Cc1ccc(NC(=O)C[C@H]([NH3+])C(=O)OC)cc1 ZINC001160443421 801941329 /nfs/dbraw/zinc/94/13/29/801941329.db2.gz ITWVHWFDSWHFKM-NSHDSACASA-N 2 2 265.313 0.235 20 0 CCADLP CC[NH+](CC)C1CCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001160482748 801949577 /nfs/dbraw/zinc/94/95/77/801949577.db2.gz KRNOJJDZUKYNHZ-XJKSGUPXSA-N 3 2 294.443 0.271 20 0 CCADLP CC(C)N(CC1CC1)C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001160484324 801949767 /nfs/dbraw/zinc/94/97/67/801949767.db2.gz WTEQZFKSHMZRDQ-RWMBFGLXSA-N 2 2 251.374 0.583 20 0 CCADLP CCN(CC(=O)OC(C)(C)C)C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160679803 801998461 /nfs/dbraw/zinc/99/84/61/801998461.db2.gz HASZABGMAYVMAN-ABAIWWIYSA-N 2 2 297.399 0.128 20 0 CCADLP COC(=O)[C@H](C)N(C)C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001160718647 802011063 /nfs/dbraw/zinc/01/10/63/802011063.db2.gz PFVKJEFLACWNCA-CABZTGNLSA-N 2 2 279.340 0.279 20 0 CCADLP CN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])[C@@H](C1CCC1)C(F)(F)F ZINC001160774186 802018090 /nfs/dbraw/zinc/01/80/90/802018090.db2.gz PVSUGRJUETZZAE-GUBZILKMSA-N 2 2 279.306 0.723 20 0 CCADLP CC1(C)CN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])Cc2ccccc21 ZINC001160887031 802042053 /nfs/dbraw/zinc/04/20/53/802042053.db2.gz SDJAALRAELITOH-JSGCOSHPSA-N 2 2 273.380 0.853 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C2(CC2)C1 ZINC001160965752 802053331 /nfs/dbraw/zinc/05/33/31/802053331.db2.gz XUMNBCFKBQVIAV-PWSUYJOCSA-N 2 2 262.357 0.691 20 0 CCADLP COC(=O)[C@H]1C[C@H]1CNc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001161042592 802075208 /nfs/dbraw/zinc/07/52/08/802075208.db2.gz NDSLWXXULLHFLP-AAEUAGOBSA-N 2 2 290.367 0.712 20 0 CCADLP CN(C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)[C@H]1CCCC[C@H]1[NH3+] ZINC001161057776 802078747 /nfs/dbraw/zinc/07/87/47/802078747.db2.gz GCXTZGRNUFXMKI-WOPDTQHZSA-N 3 2 265.361 0.008 20 0 CCADLP CN(Cc1cncs1)C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001161065852 802081966 /nfs/dbraw/zinc/08/19/66/802081966.db2.gz WAXVHBWDTDDVRK-UHFFFAOYSA-N 2 2 254.359 0.182 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCc2[nH]ccc2C1 ZINC001161135261 802097777 /nfs/dbraw/zinc/09/77/77/802097777.db2.gz WHJWQENVNOEROA-LLVKDONJSA-N 2 2 259.313 0.193 20 0 CCADLP Nc1ccc(C2CCN(C(=O)[C@@H]3C[C@H]([NH3+])C[NH2+]3)CC2)cc1 ZINC001161189736 802107162 /nfs/dbraw/zinc/10/71/62/802107162.db2.gz BFESWWRSQCJMAS-GJZGRUSLSA-N 2 2 288.395 0.664 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@](C)([NH3+])CC(C)C ZINC001161238446 802114294 /nfs/dbraw/zinc/11/42/94/802114294.db2.gz UKCVFACDQVLMAC-SMDDNHRTSA-N 2 2 285.388 0.066 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@](C)([NH3+])CC(C)C ZINC001161238446 802114300 /nfs/dbraw/zinc/11/43/00/802114300.db2.gz UKCVFACDQVLMAC-SMDDNHRTSA-N 2 2 285.388 0.066 20 0 CCADLP COCCC[NH2+]CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001161309237 802123419 /nfs/dbraw/zinc/12/34/19/802123419.db2.gz KGDPRZFNDDVGDS-ZDUSSCGKSA-N 2 2 294.399 0.578 20 0 CCADLP [NH3+][C@@H](CC1CCC1)C(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161378814 802141030 /nfs/dbraw/zinc/14/10/30/802141030.db2.gz NFZSKNFADDLGLE-CABCVRRESA-N 3 2 294.443 0.528 20 0 CCADLP C[C@]1(C(=O)N2CC[C@H]([NH+]3CCC([NH3+])CC3)C2)CCC[NH2+]1 ZINC001161381340 802142514 /nfs/dbraw/zinc/14/25/14/802142514.db2.gz XPJYIEBXJTWWHL-DZGCQCFKSA-N 3 2 280.416 0.153 20 0 CCADLP C[C@@H]([NH3+])c1ncc(C(=O)N2CC[N@@H+]3CC[C@@H]3C2)s1 ZINC001161423496 802153194 /nfs/dbraw/zinc/15/31/94/802153194.db2.gz BYQUTEHCJDANFA-RKDXNWHRSA-N 2 2 266.370 0.693 20 0 CCADLP C[C@@H]([NH3+])c1ncc(C(=O)N2CC[N@H+]3CC[C@@H]3C2)s1 ZINC001161423496 802153197 /nfs/dbraw/zinc/15/31/97/802153197.db2.gz BYQUTEHCJDANFA-RKDXNWHRSA-N 2 2 266.370 0.693 20 0 CCADLP c1cn(CCCNc2cnc(O[C@H]3CC[NH2+]C3)nc2)c[nH+]1 ZINC001161684523 802198970 /nfs/dbraw/zinc/19/89/70/802198970.db2.gz GWLNKKMCRHPFLN-ZDUSSCGKSA-N 2 2 288.355 0.916 20 0 CCADLP CN(C)c1cc(NCCC[NH2+]CCCC[NH3+])[nH+]cn1 ZINC001162289423 802301833 /nfs/dbraw/zinc/30/18/33/802301833.db2.gz ULACFABNHYFKKS-UHFFFAOYSA-N 3 2 266.393 0.673 20 0 CCADLP CN(C)c1cc(NCCC[NH2+]CCCC[NH3+])nc[nH+]1 ZINC001162289423 802301841 /nfs/dbraw/zinc/30/18/41/802301841.db2.gz ULACFABNHYFKKS-UHFFFAOYSA-N 3 2 266.393 0.673 20 0 CCADLP O=C1C[C@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)CCCN1 ZINC001162455937 802343413 /nfs/dbraw/zinc/34/34/13/802343413.db2.gz ZCQQLUCYDJIKDQ-GFCCVEGCSA-N 2 2 289.383 0.572 20 0 CCADLP CCOC(=O)C1=C(O)CC[N@@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254519934 808254468 /nfs/dbraw/zinc/25/44/68/808254468.db2.gz LIHXHIXMYDYUMG-STQMWFEESA-N 2 2 282.384 0.925 20 0 CCADLP CCOC(=O)C1=C(O)CC[N@H+]([C@H]2CCC[NH+](C)CC2)C1 ZINC001254519934 808254472 /nfs/dbraw/zinc/25/44/72/808254472.db2.gz LIHXHIXMYDYUMG-STQMWFEESA-N 2 2 282.384 0.925 20 0 CCADLP CCOC(=O)C1=C(O)CC[NH+]([C@H]2CCC[N@H+](C)CC2)C1 ZINC001254519934 808254475 /nfs/dbraw/zinc/25/44/75/808254475.db2.gz LIHXHIXMYDYUMG-STQMWFEESA-N 2 2 282.384 0.925 20 0 CCADLP CCOC(=O)C1=C(O)CC[NH+]([C@H]2CCC[N@@H+](C)CC2)C1 ZINC001254519934 808254479 /nfs/dbraw/zinc/25/44/79/808254479.db2.gz LIHXHIXMYDYUMG-STQMWFEESA-N 2 2 282.384 0.925 20 0 CCADLP COc1ccc2[nH+]ccc(NC[C@@H]3C[N@H+](C)CCO3)c2n1 ZINC001162688041 802396302 /nfs/dbraw/zinc/39/63/02/802396302.db2.gz IDFPQZVXJYJMCP-LLVKDONJSA-N 2 2 288.351 0.803 20 0 CCADLP COc1ccc2[nH+]ccc(NC[C@@H]3C[N@@H+](C)CCO3)c2n1 ZINC001162688041 802396310 /nfs/dbraw/zinc/39/63/10/802396310.db2.gz IDFPQZVXJYJMCP-LLVKDONJSA-N 2 2 288.351 0.803 20 0 CCADLP Cc1cc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)cc(OC(F)F)[nH+]1 ZINC001163254637 802521903 /nfs/dbraw/zinc/52/19/03/802521903.db2.gz OUYZPRDWJYJFRW-RNCFNFMXSA-N 2 2 298.293 0.981 20 0 CCADLP CNC(=O)[C@H](CCCC[NH3+])Nc1cc(COC)cc[nH+]1 ZINC001163438008 802556049 /nfs/dbraw/zinc/55/60/49/802556049.db2.gz AITCOAYVBUSOSH-LBPRGKRZSA-N 2 2 280.372 0.884 20 0 CCADLP CNC(=O)[C@H](CCCC[NH3+])Nc1ccc(Cl)c(N)[nH+]1 ZINC001163445634 802558315 /nfs/dbraw/zinc/55/83/15/802558315.db2.gz LRKOATKPOJAZKD-VIFPVBQESA-N 2 2 285.779 0.973 20 0 CCADLP Cc1cnc(C[NH2+]CCCNC(=O)CCn2cc[nH+]c2)o1 ZINC001163588679 802572820 /nfs/dbraw/zinc/57/28/20/802572820.db2.gz MRWAQXKJIOZCOQ-UHFFFAOYSA-N 2 2 291.355 0.866 20 0 CCADLP CO[C@@H](C)C[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001264997211 809690875 /nfs/dbraw/zinc/69/08/75/809690875.db2.gz ZLDWUXGLCIODEH-YNEHKIRRSA-N 2 2 294.399 0.986 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001264997211 809690882 /nfs/dbraw/zinc/69/08/82/809690882.db2.gz ZLDWUXGLCIODEH-YNEHKIRRSA-N 2 2 294.399 0.986 20 0 CCADLP CO[C@@H](C)C[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001264997211 809690888 /nfs/dbraw/zinc/69/08/88/809690888.db2.gz ZLDWUXGLCIODEH-YNEHKIRRSA-N 2 2 294.399 0.986 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001264997211 809690893 /nfs/dbraw/zinc/69/08/93/809690893.db2.gz ZLDWUXGLCIODEH-YNEHKIRRSA-N 2 2 294.399 0.986 20 0 CCADLP [NH3+][C@H]1CN(c2ncnc3c2C[NH2+]C3)CCC1(F)F ZINC001164319711 802722334 /nfs/dbraw/zinc/72/23/34/802722334.db2.gz MYZSNPSRZKNZAJ-VIFPVBQESA-N 2 2 255.272 0.253 20 0 CCADLP C[NH+]1CCN(c2cccc(N3CCOC[C@H](O)C3)[nH+]2)CC1 ZINC001164511883 802754227 /nfs/dbraw/zinc/75/42/27/802754227.db2.gz OWTZZMVOQWOBET-CYBMUJFWSA-N 2 2 292.383 0.031 20 0 CCADLP CCN(CC)c1cc(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)nc[nH+]1 ZINC001165283382 802813128 /nfs/dbraw/zinc/81/31/28/802813128.db2.gz WHUBAJGZUWFLJK-DOMZBBRYSA-N 2 2 291.399 0.341 20 0 CCADLP CCN(CC)c1cc(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)[nH+]cn1 ZINC001165283382 802813134 /nfs/dbraw/zinc/81/31/34/802813134.db2.gz WHUBAJGZUWFLJK-DOMZBBRYSA-N 2 2 291.399 0.341 20 0 CCADLP Nc1nc(N2CCc3onc(Cn4cc[nH+]c4)c3C2)cc[nH+]1 ZINC001165547311 802852845 /nfs/dbraw/zinc/85/28/45/802852845.db2.gz LYPDMSWBQSOWKK-UHFFFAOYSA-N 2 2 297.322 0.854 20 0 CCADLP COCc1nn(-c2cc(N(C)C)[nH+]c(C)n2)c2c1C[NH2+]C2 ZINC001165631592 802856870 /nfs/dbraw/zinc/85/68/70/802856870.db2.gz CNQZIIZVBWOUMK-UHFFFAOYSA-N 2 2 288.355 0.786 20 0 CCADLP CC1(C[NH3+])C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001206718208 802960427 /nfs/dbraw/zinc/96/04/27/802960427.db2.gz MAYMWRYRXVZFCR-UHFFFAOYSA-N 2 2 258.329 0.647 20 0 CCADLP CCc1[nH]c(C[N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c(C)[nH+]1 ZINC001203247096 803023474 /nfs/dbraw/zinc/02/34/74/803023474.db2.gz RBXUOPZFTXHAPH-QWRGUYRKSA-N 2 2 262.357 0.848 20 0 CCADLP CCc1[nH]c(C[N@H+]2CC[C@H]3CNC(=O)[C@H]3C2)c(C)[nH+]1 ZINC001203247096 803023482 /nfs/dbraw/zinc/02/34/82/803023482.db2.gz RBXUOPZFTXHAPH-QWRGUYRKSA-N 2 2 262.357 0.848 20 0 CCADLP CC1(C[NH+]2CC3(CCN3CCn3cc[nH+]c3)C2)COC1 ZINC001276422934 803046462 /nfs/dbraw/zinc/04/64/62/803046462.db2.gz ZKZLDJQFVUVMCI-UHFFFAOYSA-N 2 2 276.384 0.680 20 0 CCADLP C[C@H](O)C[NH2+]C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001204068578 803063363 /nfs/dbraw/zinc/06/33/63/803063363.db2.gz HXCAHNTWHQEITM-ZDUSSCGKSA-N 2 2 294.399 0.625 20 0 CCADLP COC(=O)c1cnc(C[N@@H+]2CCC[C@H]([NH3+])CC2)cn1 ZINC001205109080 803118841 /nfs/dbraw/zinc/11/88/41/803118841.db2.gz ALQHWYNOLGQKNR-JTQLQIEISA-N 2 2 264.329 0.576 20 0 CCADLP COC(=O)c1cnc(C[N@H+]2CCC[C@H]([NH3+])CC2)cn1 ZINC001205109080 803118843 /nfs/dbraw/zinc/11/88/43/803118843.db2.gz ALQHWYNOLGQKNR-JTQLQIEISA-N 2 2 264.329 0.576 20 0 CCADLP CCn1cc(C[NH+]2CCN(CCC[NH+](C)C)CC2)cn1 ZINC001205544869 803146772 /nfs/dbraw/zinc/14/67/72/803146772.db2.gz IUNFQLRQCBGFNZ-UHFFFAOYSA-N 2 2 279.432 0.972 20 0 CCADLP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cnc3n2CC[NH2+]C3)CC1 ZINC001205591659 803149675 /nfs/dbraw/zinc/14/96/75/803149675.db2.gz NSHITMGJAFNUKU-CQSZACIVSA-N 3 2 281.379 0.639 20 0 CCADLP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cnc3n2CC[NH2+]C3)CC1 ZINC001205591659 803149676 /nfs/dbraw/zinc/14/96/76/803149676.db2.gz NSHITMGJAFNUKU-CQSZACIVSA-N 3 2 281.379 0.639 20 0 CCADLP Cc1cncc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)n1 ZINC001205665516 803152452 /nfs/dbraw/zinc/15/24/52/803152452.db2.gz SJJZSYCIWNUQNR-CYBMUJFWSA-N 2 2 250.346 0.461 20 0 CCADLP Cc1cncc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)n1 ZINC001205665516 803152454 /nfs/dbraw/zinc/15/24/54/803152454.db2.gz SJJZSYCIWNUQNR-CYBMUJFWSA-N 2 2 250.346 0.461 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@H+](CC[C@@H]2CCCC[NH2+]2)C1 ZINC001205664857 803153540 /nfs/dbraw/zinc/15/35/40/803153540.db2.gz PACDEXXJXSOKGK-UONOGXRCSA-N 3 2 255.406 0.694 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@@H+](CC[C@@H]2CCCC[NH2+]2)C1 ZINC001205664857 803153543 /nfs/dbraw/zinc/15/35/43/803153543.db2.gz PACDEXXJXSOKGK-UONOGXRCSA-N 3 2 255.406 0.694 20 0 CCADLP COc1cncc(OC)c1C[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205689785 803156336 /nfs/dbraw/zinc/15/63/36/803156336.db2.gz SCPYQICWUBJOJT-HNNXBMFYSA-N 2 2 295.383 0.775 20 0 CCADLP COc1cncc(OC)c1C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205689785 803156342 /nfs/dbraw/zinc/15/63/42/803156342.db2.gz SCPYQICWUBJOJT-HNNXBMFYSA-N 2 2 295.383 0.775 20 0 CCADLP Cc1nc2ccccn2c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205946686 803189142 /nfs/dbraw/zinc/18/91/42/803189142.db2.gz PCKAAKVFYFOGFD-DGCLKSJQSA-N 2 2 260.341 0.537 20 0 CCADLP Cc1nc2ccccn2c1C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205946686 803189147 /nfs/dbraw/zinc/18/91/47/803189147.db2.gz PCKAAKVFYFOGFD-DGCLKSJQSA-N 2 2 260.341 0.537 20 0 CCADLP CC(=O)Oc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001205946913 803189237 /nfs/dbraw/zinc/18/92/37/803189237.db2.gz TXDHEAUVIIHNAG-ZIAGYGMSSA-N 2 2 264.325 0.506 20 0 CCADLP CC(=O)Oc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001205946913 803189240 /nfs/dbraw/zinc/18/92/40/803189240.db2.gz TXDHEAUVIIHNAG-ZIAGYGMSSA-N 2 2 264.325 0.506 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2cnc3[nH]ccc3c2Cl)C[C@H]1O ZINC001206469503 803248927 /nfs/dbraw/zinc/24/89/27/803248927.db2.gz QDJUDVXDFSTILI-GZMMTYOYSA-N 2 2 280.759 0.919 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2cnc3[nH]ccc3c2Cl)C[C@H]1O ZINC001206469503 803248930 /nfs/dbraw/zinc/24/89/30/803248930.db2.gz QDJUDVXDFSTILI-GZMMTYOYSA-N 2 2 280.759 0.919 20 0 CCADLP CCOC(=O)c1ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)nc1 ZINC001206481227 803251866 /nfs/dbraw/zinc/25/18/66/803251866.db2.gz PUZDUXJOBJYDIB-WCQYABFASA-N 2 2 279.340 0.010 20 0 CCADLP CCOC(=O)c1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)nc1 ZINC001206481227 803251871 /nfs/dbraw/zinc/25/18/71/803251871.db2.gz PUZDUXJOBJYDIB-WCQYABFASA-N 2 2 279.340 0.010 20 0 CCADLP COc1cccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1OC ZINC001206511757 803255161 /nfs/dbraw/zinc/25/51/61/803255161.db2.gz APFREXCMWHJXMS-RYUDHWBXSA-N 2 2 266.341 0.455 20 0 CCADLP COc1cccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1OC ZINC001206511757 803255164 /nfs/dbraw/zinc/25/51/64/803255164.db2.gz APFREXCMWHJXMS-RYUDHWBXSA-N 2 2 266.341 0.455 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC(C[NH2+]CCF)CC1 ZINC001206683477 803278998 /nfs/dbraw/zinc/27/89/98/803278998.db2.gz ITCGSCILAZSADO-UHFFFAOYSA-N 2 2 268.336 0.750 20 0 CCADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@]3(CCNC3=O)C2)n1C ZINC001206791841 803286742 /nfs/dbraw/zinc/28/67/42/803286742.db2.gz BUCWXBUBWFDSJE-CQSZACIVSA-N 2 2 262.357 0.831 20 0 CCADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@]3(CCNC3=O)C2)n1C ZINC001206791841 803286751 /nfs/dbraw/zinc/28/67/51/803286751.db2.gz BUCWXBUBWFDSJE-CQSZACIVSA-N 2 2 262.357 0.831 20 0 CCADLP CO[C@H](C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206921386 803308959 /nfs/dbraw/zinc/30/89/59/803308959.db2.gz NOJDPOVMVKRXSV-JHJVBQTASA-N 2 2 294.399 0.814 20 0 CCADLP CO[C@H](C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206921386 803308967 /nfs/dbraw/zinc/30/89/67/803308967.db2.gz NOJDPOVMVKRXSV-JHJVBQTASA-N 2 2 294.399 0.814 20 0 CCADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ncccn1 ZINC001207013600 803334432 /nfs/dbraw/zinc/33/44/32/803334432.db2.gz QVYHWAAOANNBRZ-UONOGXRCSA-N 2 2 275.400 0.687 20 0 CCADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ncccn1 ZINC001207013600 803334439 /nfs/dbraw/zinc/33/44/39/803334439.db2.gz QVYHWAAOANNBRZ-UONOGXRCSA-N 2 2 275.400 0.687 20 0 CCADLP COCC[N@H+](CC(OC)OC)C1CC[NH+](C)CC1 ZINC001207253075 803374357 /nfs/dbraw/zinc/37/43/57/803374357.db2.gz DVIJEQXLRIBIAW-UHFFFAOYSA-N 2 2 260.378 0.648 20 0 CCADLP COCC[N@@H+](CC(OC)OC)C1CC[NH+](C)CC1 ZINC001207253075 803374364 /nfs/dbraw/zinc/37/43/64/803374364.db2.gz DVIJEQXLRIBIAW-UHFFFAOYSA-N 2 2 260.378 0.648 20 0 CCADLP CC(C)(C[N@H+]1CCc2[nH+]ccn2CC1)N1CCOCC1 ZINC001207304770 803382820 /nfs/dbraw/zinc/38/28/20/803382820.db2.gz IJUPURFRSOTTIH-UHFFFAOYSA-N 2 2 278.400 0.852 20 0 CCADLP CC(C)(C[N@@H+]1CCc2[nH+]ccn2CC1)N1CCOCC1 ZINC001207304770 803382827 /nfs/dbraw/zinc/38/28/27/803382827.db2.gz IJUPURFRSOTTIH-UHFFFAOYSA-N 2 2 278.400 0.852 20 0 CCADLP C(C1CC[NH2+]CC1)[N@@H+]1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001207441388 803400746 /nfs/dbraw/zinc/40/07/46/803400746.db2.gz ABWJCGJTINAXOY-HNNXBMFYSA-N 3 2 267.417 0.783 20 0 CCADLP C(C1CC[NH2+]CC1)[N@H+]1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001207441388 803400751 /nfs/dbraw/zinc/40/07/51/803400751.db2.gz ABWJCGJTINAXOY-HNNXBMFYSA-N 3 2 267.417 0.783 20 0 CCADLP COCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001208365251 803509874 /nfs/dbraw/zinc/50/98/74/803509874.db2.gz MFZFUPYFEYXXMA-YNEHKIRRSA-N 2 2 292.383 0.740 20 0 CCADLP COCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001208365251 803509876 /nfs/dbraw/zinc/50/98/76/803509876.db2.gz MFZFUPYFEYXXMA-YNEHKIRRSA-N 2 2 292.383 0.740 20 0 CCADLP Cc1nonc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208490869 803517589 /nfs/dbraw/zinc/51/75/89/803517589.db2.gz LGBCTVLXVTXSOX-ZYHUDNBSSA-N 2 2 295.387 0.266 20 0 CCADLP Cc1nonc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208490869 803517591 /nfs/dbraw/zinc/51/75/91/803517591.db2.gz LGBCTVLXVTXSOX-ZYHUDNBSSA-N 2 2 295.387 0.266 20 0 CCADLP C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3cccnn3)CC2)C1 ZINC001208607991 803529289 /nfs/dbraw/zinc/52/92/89/803529289.db2.gz DXJIUCWVCICJFH-AWEZNQCLSA-N 2 2 275.400 0.940 20 0 CCADLP C[N@H+]1CCC[C@H](C[NH+]2CCN(c3cccnn3)CC2)C1 ZINC001208607991 803529290 /nfs/dbraw/zinc/52/92/90/803529290.db2.gz DXJIUCWVCICJFH-AWEZNQCLSA-N 2 2 275.400 0.940 20 0 CCADLP C[N@@H+]1CCC[C@H](C[NH+]2Cc3ccnn3CC[C@@H]2CO)C1 ZINC001208619995 803530672 /nfs/dbraw/zinc/53/06/72/803530672.db2.gz ZYOWFQBTCZGZAO-DZGCQCFKSA-N 2 2 278.400 0.792 20 0 CCADLP C[N@H+]1CCC[C@H](C[NH+]2Cc3ccnn3CC[C@@H]2CO)C1 ZINC001208619995 803530675 /nfs/dbraw/zinc/53/06/75/803530675.db2.gz ZYOWFQBTCZGZAO-DZGCQCFKSA-N 2 2 278.400 0.792 20 0 CCADLP C[NH+]1CCC[C@H](C[N@@H+]2Cc3ccnn3CC[C@@H]2CO)C1 ZINC001208619995 803530679 /nfs/dbraw/zinc/53/06/79/803530679.db2.gz ZYOWFQBTCZGZAO-DZGCQCFKSA-N 2 2 278.400 0.792 20 0 CCADLP C[NH+]1CCC[C@H](C[N@H+]2Cc3ccnn3CC[C@@H]2CO)C1 ZINC001208619995 803530683 /nfs/dbraw/zinc/53/06/83/803530683.db2.gz ZYOWFQBTCZGZAO-DZGCQCFKSA-N 2 2 278.400 0.792 20 0 CCADLP COC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001208848702 803549196 /nfs/dbraw/zinc/54/91/96/803549196.db2.gz JYSFTRAHRSJTTJ-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP FC1CC[NH+](C2CN(CC[NH+]3CCOCC3)C2)CC1 ZINC001209294876 803587362 /nfs/dbraw/zinc/58/73/62/803587362.db2.gz MWAGCIDNDBDIDP-UHFFFAOYSA-N 2 2 271.380 0.437 20 0 CCADLP Nc1cnc2c(cnn2-c2cc[nH+]c(N3CC[NH2+]CC3)c2)c1 ZINC001210262825 803644284 /nfs/dbraw/zinc/64/42/84/803644284.db2.gz RBVKBPXAZBTMNY-UHFFFAOYSA-N 2 2 295.350 0.807 20 0 CCADLP C[NH+]1CCC(CCN2C[C@@H]3C[N@@H+](C)C[C@H](C2)O3)CC1 ZINC001276725689 803821760 /nfs/dbraw/zinc/82/17/60/803821760.db2.gz DAHSTKSYQBSFJE-GASCZTMLSA-N 2 2 267.417 0.733 20 0 CCADLP C[NH+]1CCC(CCN2C[C@@H]3C[N@H+](C)C[C@H](C2)O3)CC1 ZINC001276725689 803821770 /nfs/dbraw/zinc/82/17/70/803821770.db2.gz DAHSTKSYQBSFJE-GASCZTMLSA-N 2 2 267.417 0.733 20 0 CCADLP CCOCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215685200 803822430 /nfs/dbraw/zinc/82/24/30/803822430.db2.gz OOUKIRMVOIQIFN-TZMCWYRMSA-N 2 2 294.399 0.815 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001216065679 803833370 /nfs/dbraw/zinc/83/33/70/803833370.db2.gz SFRNNTGHHWXVIZ-IJLUTSLNSA-N 2 2 280.372 0.424 20 0 CCADLP CCOCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001217011152 803864280 /nfs/dbraw/zinc/86/42/80/803864280.db2.gz ZXOXCHPLAQWFNJ-CHWSQXEVSA-N 2 2 280.372 0.356 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1c1nnc(Cc2ccc(F)cc2)o1 ZINC001217744762 803910719 /nfs/dbraw/zinc/91/07/19/803910719.db2.gz PUQORQGGUJEUPA-QWRGUYRKSA-N 2 2 262.288 0.814 20 0 CCADLP O=C(Nc1cccc2[nH+]ccn21)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001218495948 803962521 /nfs/dbraw/zinc/96/25/21/803962521.db2.gz AYIRLJKUXQHLGB-QMTHXVAHSA-N 2 2 271.324 0.224 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc(C2CCCC2)no1 ZINC001218506815 803973309 /nfs/dbraw/zinc/97/33/09/803973309.db2.gz CAQKSEMTHASBHZ-UWVGGRQHSA-N 2 2 264.329 0.817 20 0 CCADLP CC(C)(C)c1nnc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)o1 ZINC001218508271 803973999 /nfs/dbraw/zinc/97/39/99/803973999.db2.gz NCKIMQRBBPTTAL-MRVPVSSYSA-N 2 2 278.316 0.599 20 0 CCADLP [NH3+]C1(C(=O)Nc2ccc(Cl)nn2)CC[NH2+]CC1 ZINC001218509438 803975665 /nfs/dbraw/zinc/97/56/65/803975665.db2.gz SDZJDHNTFQLLRF-UHFFFAOYSA-N 2 2 255.709 0.149 20 0 CCADLP [NH3+]C1(C(=O)Nc2ncc(C(F)(F)F)cn2)CC[NH2+]CC1 ZINC001218530786 803989735 /nfs/dbraw/zinc/98/97/35/803989735.db2.gz VEEZOTCKOJSQKL-UHFFFAOYSA-N 2 2 289.261 0.515 20 0 CCADLP Cc1sc(NC(=O)C2([NH3+])CC[NH2+]CC2)c(C(N)=O)c1C ZINC001218549065 804000333 /nfs/dbraw/zinc/00/03/33/804000333.db2.gz STXANJYDKRAYNU-UHFFFAOYSA-N 2 2 296.396 0.483 20 0 CCADLP COC(=O)c1cc(C)cnc1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218578717 804018794 /nfs/dbraw/zinc/01/87/94/804018794.db2.gz MIVZEXVJTYVQFX-UHFFFAOYSA-N 2 2 292.339 0.196 20 0 CCADLP Nc1cc(Cl)nc(Cl)c1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218585817 804021858 /nfs/dbraw/zinc/02/18/58/804021858.db2.gz ZHUFMFQKKFWQAQ-XINAWCOVSA-N 2 2 290.154 0.598 20 0 CCADLP Cc1nc(Cl)ncc1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218586843 804022920 /nfs/dbraw/zinc/02/29/20/804022920.db2.gz QXQZNZXUQUXPFG-UHFFFAOYSA-N 2 2 269.736 0.458 20 0 CCADLP [NH3+][C@@H](CC(F)F)C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001218619548 804037559 /nfs/dbraw/zinc/03/75/59/804037559.db2.gz DFYFEKRZHCDAAZ-QMMMGPOBSA-N 2 2 255.268 0.913 20 0 CCADLP CC(=O)Nc1cc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)ccn1 ZINC001218649621 804058078 /nfs/dbraw/zinc/05/80/78/804058078.db2.gz HPRZXHRHBFQENB-GYSYKLTISA-N 2 2 289.339 0.200 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ncccc1OC(F)(F)F ZINC001218651947 804063379 /nfs/dbraw/zinc/06/33/79/804063379.db2.gz GYDMBSADWJWTBW-BQBZGAKWSA-N 2 2 290.245 0.465 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cnnc2ccc(Cl)cc21 ZINC001218699724 804086038 /nfs/dbraw/zinc/08/60/38/804086038.db2.gz DUVCWQOUAMPIEH-VIFPVBQESA-N 2 2 279.731 0.898 20 0 CCADLP CC(=O)c1ncccc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001218703259 804090658 /nfs/dbraw/zinc/09/06/58/804090658.db2.gz CKELMEXTMZWIRV-NSHDSACASA-N 2 2 287.323 0.526 20 0 CCADLP CC(C)Cn1cnc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)c1 ZINC001218748498 804108571 /nfs/dbraw/zinc/10/85/71/804108571.db2.gz NYNKCAKAGVDTKT-GYSYKLTISA-N 2 2 277.372 0.699 20 0 CCADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1C[NH2+]C[C@@H]1O ZINC001218812723 804131759 /nfs/dbraw/zinc/13/17/59/804131759.db2.gz XOFNPXPKXPHMQM-STQMWFEESA-N 2 2 272.308 0.391 20 0 CCADLP Cc1c2ccc(NC(=O)C3([NH3+])CC[NH2+]CC3)cc2nn1C ZINC001218889720 804149952 /nfs/dbraw/zinc/14/99/52/804149952.db2.gz VNILHIYIOREABH-UHFFFAOYSA-N 2 2 287.367 0.901 20 0 CCADLP CC(C)(C[NH3+])c1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc1 ZINC001218895350 804151226 /nfs/dbraw/zinc/15/12/26/804151226.db2.gz NDTVMVLTYNHKMP-STQMWFEESA-N 3 2 276.384 0.408 20 0 CCADLP [NH3+]C1(C(=O)Nc2ccc3c(c2)CC[NH2+]CC3)CC[NH2+]CC1 ZINC001218937230 804161653 /nfs/dbraw/zinc/16/16/53/804161653.db2.gz OSGLNPGSTAISPJ-UHFFFAOYSA-N 3 2 288.395 0.394 20 0 CCADLP O=C(Nc1ccc2c(c1)CC[NH2+]CC2)[C@@H]1COCC[NH2+]1 ZINC001218936885 804162445 /nfs/dbraw/zinc/16/24/45/804162445.db2.gz FZJCKSMZZADVSM-AWEZNQCLSA-N 2 2 275.352 0.302 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc2ncnc(Cl)c2c1 ZINC001219372946 804289655 /nfs/dbraw/zinc/28/96/55/804289655.db2.gz JZGWUAYNIUGEFV-UWVGGRQHSA-N 2 2 291.742 0.768 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccc3c[nH]nc3c2Cl)C1 ZINC001219441599 804312213 /nfs/dbraw/zinc/31/22/13/804312213.db2.gz KMOXNYVNWWAUPI-APPZFPTMSA-N 2 2 279.731 0.844 20 0 CCADLP CC1(c2ccc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc2)COC1 ZINC001219490999 804328342 /nfs/dbraw/zinc/32/83/42/804328342.db2.gz HNGMAFHQSOVKPJ-LBPRGKRZSA-N 2 2 263.341 0.589 20 0 CCADLP Cc1c(NC(=O)[C@@H]([NH3+])CC[NH3+])ccc2c1OCCO2 ZINC001219497433 804331582 /nfs/dbraw/zinc/33/15/82/804331582.db2.gz CKWLATSOZPIYAG-VIFPVBQESA-N 2 2 265.313 0.381 20 0 CCADLP [NH3+][C@@H](Cc1c[nH]c2ncccc12)C(=O)NCCn1cc[nH+]c1 ZINC001219564159 804351085 /nfs/dbraw/zinc/35/10/85/804351085.db2.gz UKEZVYHVCLCRIC-ZDUSSCGKSA-N 2 2 298.350 0.446 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1ccc2c(c1)CCC2 ZINC001219571942 804356170 /nfs/dbraw/zinc/35/61/70/804356170.db2.gz VNTHEYHAFGKJBU-KBPBESRZSA-N 2 2 259.353 0.338 20 0 CCADLP Cc1cccnc1CCCNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001219571915 804356861 /nfs/dbraw/zinc/35/68/61/804356861.db2.gz UICURNWKPCKLMG-ZDUSSCGKSA-N 2 2 287.367 0.732 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)[C@H]([NH3+])Cc2ccccc2F)c1 ZINC001219633630 804382205 /nfs/dbraw/zinc/38/22/05/804382205.db2.gz ABVGXYOKCADOQD-CQSZACIVSA-N 2 2 290.342 0.788 20 0 CCADLP Cc1cc(C)c(CNC(=O)C2([NH3+])CC[NH2+]CC2)c(=O)[nH]1 ZINC001219690692 804405352 /nfs/dbraw/zinc/40/53/52/804405352.db2.gz AEUGESNIZMRGEC-UHFFFAOYSA-N 2 2 278.356 0.101 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NCC(=O)C(C)(C)C ZINC001219943659 804452923 /nfs/dbraw/zinc/45/29/23/804452923.db2.gz SXWCFMQWIXKNON-JTQLQIEISA-N 2 2 266.345 0.021 20 0 CCADLP CCC[NH+]1CCC(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001219954774 804458739 /nfs/dbraw/zinc/45/87/39/804458739.db2.gz RILMIKDFWMXPDU-ZDUSSCGKSA-N 3 2 279.388 0.270 20 0 CCADLP C[NH+]1CC(NC(=O)C[C@@H]([NH3+])CSc2ccccc2)C1 ZINC001220013351 804471671 /nfs/dbraw/zinc/47/16/71/804471671.db2.gz RQWQTQUWDVMOPV-LLVKDONJSA-N 2 2 279.409 0.926 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC1(c2ccccn2)CC1 ZINC001220136631 804508251 /nfs/dbraw/zinc/50/82/51/804508251.db2.gz AJXCSWFMCFKCTH-LBPRGKRZSA-N 2 2 285.351 0.490 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC001220185577 804529857 /nfs/dbraw/zinc/52/98/57/804529857.db2.gz IGBKSCGFEMMXLR-IVZWLZJFSA-N 2 2 261.316 0.475 20 0 CCADLP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC001220185325 804530791 /nfs/dbraw/zinc/53/07/91/804530791.db2.gz FWMPIYMEPWKCPV-QWRGUYRKSA-N 3 2 292.374 0.064 20 0 CCADLP CC1(C)C[C@H](NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CCO1 ZINC001220218737 804539044 /nfs/dbraw/zinc/53/90/44/804539044.db2.gz DBNFREVYBPXARE-KOLCDFICSA-N 2 2 266.345 0.353 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@H]1CCOC(C)(C)C1 ZINC001220218862 804541390 /nfs/dbraw/zinc/54/13/90/804541390.db2.gz IBVTUKJKZSZXQF-JQWIXIFHSA-N 2 2 280.372 0.364 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NCCC2COC2)cc1 ZINC001220340515 804578333 /nfs/dbraw/zinc/57/83/33/804578333.db2.gz HUSVBHHGZDTBOP-ZDUSSCGKSA-N 2 2 263.341 0.411 20 0 CCADLP CCOC(=O)C1(CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CCC1 ZINC001220371616 804584704 /nfs/dbraw/zinc/58/47/04/804584704.db2.gz XWDDQHZVOHVKQT-HFAKWTLXSA-N 2 2 295.383 0.058 20 0 CCADLP O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220469369 804611944 /nfs/dbraw/zinc/61/19/44/804611944.db2.gz VGBDCSBYWJMKFL-YYWXWVFPSA-N 2 2 289.354 0.749 20 0 CCADLP O=C(NCOc1ccccc1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220562920 804623570 /nfs/dbraw/zinc/62/35/70/804623570.db2.gz IYUYBHSPTNXJSP-RISCZKNCSA-N 2 2 261.325 0.091 20 0 CCADLP O=C(NCOc1ccccc1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220562918 804624716 /nfs/dbraw/zinc/62/47/16/804624716.db2.gz IYUYBHSPTNXJSP-FZMZJTMJSA-N 2 2 261.325 0.091 20 0 CCADLP COC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H](C)CC(C)(C)CC[NH3+] ZINC001220763954 804661968 /nfs/dbraw/zinc/66/19/68/804661968.db2.gz UBTVGNCDPUYXIT-QWRGUYRKSA-N 2 2 287.404 0.394 20 0 CCADLP C[C@H](CNC(=O)C1([NH3+])CC[NH2+]CC1)CC(C)(C)CC[NH3+] ZINC001220765823 804662502 /nfs/dbraw/zinc/66/25/02/804662502.db2.gz GEJPXZZSTZOHLC-LBPRGKRZSA-N 3 2 284.448 0.585 20 0 CCADLP O=C(NCc1sccc1Cl)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220821712 804672044 /nfs/dbraw/zinc/67/20/44/804672044.db2.gz OZPAPWKHEKLWMM-UFBFGSQYSA-N 2 2 285.800 0.969 20 0 CCADLP [NH3+]Cc1ccccc1CNC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220852913 804681084 /nfs/dbraw/zinc/68/10/84/804681084.db2.gz CNETZOGKEINWDP-CYBMUJFWSA-N 3 2 273.340 0.055 20 0 CCADLP [NH3+]C1(C(=O)NCc2cc3ccncc3[nH]2)CC[NH2+]CC1 ZINC001220868863 804685600 /nfs/dbraw/zinc/68/56/00/804685600.db2.gz XPFUISFPXXBQFA-UHFFFAOYSA-N 2 2 273.340 0.260 20 0 CCADLP CC[N@H+](C)CCN(C)C(=O)CCc1c[nH+]cn1C ZINC001272165019 815034844 /nfs/dbraw/zinc/03/48/44/815034844.db2.gz LLONIQKMKPFTBW-UHFFFAOYSA-N 2 2 252.362 0.763 20 0 CCADLP CC[N@@H+](C)CCN(C)C(=O)CCc1c[nH+]cn1C ZINC001272165019 815034851 /nfs/dbraw/zinc/03/48/51/815034851.db2.gz LLONIQKMKPFTBW-UHFFFAOYSA-N 2 2 252.362 0.763 20 0 CCADLP COc1cccnc1[C@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C1CC1 ZINC001221214343 804746686 /nfs/dbraw/zinc/74/66/86/804746686.db2.gz BONQACMAIUYMTF-NTZNESFSSA-N 2 2 290.367 0.347 20 0 CCADLP CC(C)(CNC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])CC(F)(F)F ZINC001221218608 804749264 /nfs/dbraw/zinc/74/92/64/804749264.db2.gz AWMYSYUUWVMLMU-YUMQZZPRSA-N 2 2 267.295 0.628 20 0 CCADLP [NH3+]C1(C(=O)NCc2cccc(-c3c[nH]cn3)c2)CC[NH2+]CC1 ZINC001221302479 804771591 /nfs/dbraw/zinc/77/15/91/804771591.db2.gz CHNGYPLLDICWGZ-UHFFFAOYSA-N 2 2 299.378 0.774 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2cncc3ccccc32)C1 ZINC001221334152 804779981 /nfs/dbraw/zinc/77/99/81/804779981.db2.gz YBXGPABJNVOINB-OCCSQVGLSA-N 2 2 270.336 0.540 20 0 CCADLP C[C@]1(C(=O)N[C@@H](C2CCC2)C2C[NH2+]C2)CC(F)(F)C[NH2+]1 ZINC001221407224 804808542 /nfs/dbraw/zinc/80/85/42/804808542.db2.gz BJWHEUPKNBDHGQ-WCQYABFASA-N 2 2 287.354 0.878 20 0 CCADLP CCC[N@@H+]1CC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001276859466 804945978 /nfs/dbraw/zinc/94/59/78/804945978.db2.gz AYSCLZQEWBTEJW-GFCCVEGCSA-N 2 2 250.346 0.943 20 0 CCADLP CCC[N@H+]1CC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001276859466 804945982 /nfs/dbraw/zinc/94/59/82/804945982.db2.gz AYSCLZQEWBTEJW-GFCCVEGCSA-N 2 2 250.346 0.943 20 0 CCADLP CCC[N@@H+]1CC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001276859466 804945986 /nfs/dbraw/zinc/94/59/86/804945986.db2.gz AYSCLZQEWBTEJW-GFCCVEGCSA-N 2 2 250.346 0.943 20 0 CCADLP CCC[N@H+]1CC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001276859466 804945990 /nfs/dbraw/zinc/94/59/90/804945990.db2.gz AYSCLZQEWBTEJW-GFCCVEGCSA-N 2 2 250.346 0.943 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC1CC[NH+](CCO)CC1 ZINC001225285697 805118036 /nfs/dbraw/zinc/11/80/36/805118036.db2.gz PECIFEXTXLPOSZ-UHFFFAOYSA-N 2 2 280.372 0.081 20 0 CCADLP NC(=O)[C@@H]1CC12C[NH+](CCC[NH+]1CCCCC1)C2 ZINC001277182216 805323810 /nfs/dbraw/zinc/32/38/10/805323810.db2.gz AKRKHSAEHZNKPE-LBPRGKRZSA-N 2 2 251.374 0.670 20 0 CCADLP C[N@@H+]1CCO[C@@H](COc2ccc(C(=[NH2+])NO)c(F)c2)C1 ZINC001229084713 805501230 /nfs/dbraw/zinc/50/12/30/805501230.db2.gz WYONLELIPZLPJL-SNVBAGLBSA-N 2 2 283.303 0.839 20 0 CCADLP C[N@H+]1CCO[C@@H](COc2ccc(C(=[NH2+])NO)c(F)c2)C1 ZINC001229084713 805501237 /nfs/dbraw/zinc/50/12/37/805501237.db2.gz WYONLELIPZLPJL-SNVBAGLBSA-N 2 2 283.303 0.839 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC[NH+](C[C@H](C)O)CC1 ZINC001229558918 805542008 /nfs/dbraw/zinc/54/20/08/805542008.db2.gz KOCQROYXIRRMTG-NEPJUHHUSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC[NH+](C[C@H](C)O)CC1 ZINC001229558918 805542012 /nfs/dbraw/zinc/54/20/12/805542012.db2.gz KOCQROYXIRRMTG-NEPJUHHUSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCF)CN1C(=O)CCc1c[nH+]cn1C ZINC000989736370 815091252 /nfs/dbraw/zinc/09/12/52/815091252.db2.gz NVZFCTDFIHSKMO-RYUDHWBXSA-N 2 2 282.363 0.901 20 0 CCADLP CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000989730911 815088212 /nfs/dbraw/zinc/08/82/12/815088212.db2.gz RPHNOIQQRJLUHO-MWLCHTKSSA-N 2 2 250.346 0.860 20 0 CCADLP COC(=O)[C@]1([NH2+]C2CCC([NH+](C)C)CC2)CCOC1 ZINC001168315755 815089685 /nfs/dbraw/zinc/08/96/85/815089685.db2.gz NHUOVHAGJJOUIF-YIZWMMSDSA-N 2 2 270.373 0.781 20 0 CCADLP C[C@H](O)C[NH2+][C@@H](CCCC[NH3+])C(=O)OC(C)(C)C ZINC001245983218 807107009 /nfs/dbraw/zinc/10/70/09/807107009.db2.gz HIEDMUUHDKSIHC-QWRGUYRKSA-N 2 2 260.378 0.796 20 0 CCADLP OCCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC001245983189 807107206 /nfs/dbraw/zinc/10/72/06/807107206.db2.gz UJYXTIXYTJGUIK-LSDHHAIUSA-N 2 2 294.395 0.303 20 0 CCADLP OCCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC001245983186 807107297 /nfs/dbraw/zinc/10/72/97/807107297.db2.gz UJYXTIXYTJGUIK-GJZGRUSLSA-N 2 2 294.395 0.303 20 0 CCADLP [NH3+]CCC[NH2+]CCC[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC001246011532 807114696 /nfs/dbraw/zinc/11/46/96/807114696.db2.gz VSWCZENONGGLLJ-AWEZNQCLSA-N 3 2 299.390 0.484 20 0 CCADLP CC(C)[NH+]1CC(Nc2nccnc2N2CC[NH+](C)CC2)C1 ZINC001168314350 815090464 /nfs/dbraw/zinc/09/04/64/815090464.db2.gz VPGLWQQLGGIZFK-UHFFFAOYSA-N 2 2 290.415 0.733 20 0 CCADLP CC(C)(C)OC(=O)[C@H](O)C[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246027338 807125399 /nfs/dbraw/zinc/12/53/99/807125399.db2.gz XYCPHGKICLJZEC-NXEZZACHSA-N 2 2 294.342 0.605 20 0 CCADLP CC(C)(C)OC(=O)[C@H](O)C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246027338 807125405 /nfs/dbraw/zinc/12/54/05/807125405.db2.gz XYCPHGKICLJZEC-NXEZZACHSA-N 2 2 294.342 0.605 20 0 CCADLP CCOC(=O)C1CCC(O)(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001246030958 807126383 /nfs/dbraw/zinc/12/63/83/807126383.db2.gz ZJERJPQKAWRZRN-IOSBVQAASA-N 2 2 296.411 0.907 20 0 CCADLP CCOC(=O)C1CCC(O)(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC001246030958 807126387 /nfs/dbraw/zinc/12/63/87/807126387.db2.gz ZJERJPQKAWRZRN-IOSBVQAASA-N 2 2 296.411 0.907 20 0 CCADLP CC1(C[NH3+])C[NH+](C[C@@H](O)COCc2ccccc2)C1 ZINC001246037151 807130216 /nfs/dbraw/zinc/13/02/16/807130216.db2.gz UAUQZHWSOBPPQS-CQSZACIVSA-N 2 2 264.369 0.845 20 0 CCADLP COc1cccc(OC[C@H](O)C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c1 ZINC001246048472 807133527 /nfs/dbraw/zinc/13/35/27/807133527.db2.gz XLLKHYFBTXHULX-WOSRLPQWSA-N 2 2 292.379 0.858 20 0 CCADLP COc1cccc(OC[C@H](O)C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c1 ZINC001246048472 807133531 /nfs/dbraw/zinc/13/35/31/807133531.db2.gz XLLKHYFBTXHULX-WOSRLPQWSA-N 2 2 292.379 0.858 20 0 CCADLP COc1cccc(OC[C@H](O)C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c1 ZINC001246048473 807134046 /nfs/dbraw/zinc/13/40/46/807134046.db2.gz XLLKHYFBTXHULX-XJKCOSOUSA-N 2 2 292.379 0.858 20 0 CCADLP COc1cccc(OC[C@H](O)C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c1 ZINC001246048473 807134052 /nfs/dbraw/zinc/13/40/52/807134052.db2.gz XLLKHYFBTXHULX-XJKCOSOUSA-N 2 2 292.379 0.858 20 0 CCADLP [NH3+]C[C@H]1CCC[N@@H+]1C[C@@H](O)COCc1ccco1 ZINC001246065456 807138582 /nfs/dbraw/zinc/13/85/82/807138582.db2.gz OXFXEAQWGHCNFJ-VXGBXAGGSA-N 2 2 254.330 0.580 20 0 CCADLP [NH3+]C[C@H]1CCC[N@H+]1C[C@@H](O)COCc1ccco1 ZINC001246065456 807138587 /nfs/dbraw/zinc/13/85/87/807138587.db2.gz OXFXEAQWGHCNFJ-VXGBXAGGSA-N 2 2 254.330 0.580 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N[C@H](C[NH3+])c2ccccc2)C[NH2+]1 ZINC001246075919 807142221 /nfs/dbraw/zinc/14/22/21/807142221.db2.gz MAGKNSWIVYFWBL-RWMBFGLXSA-N 2 2 263.341 0.180 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@H](NCC2([NH3+])CCCC2)C[NH2+]1 ZINC001246074675 807142904 /nfs/dbraw/zinc/14/29/04/807142904.db2.gz GEKAGJJRQZLPMX-RYUDHWBXSA-N 2 2 283.416 0.920 20 0 CCADLP CC(C)[C@H](CNC1=[NH+]CCCCN1)[NH+]1CCN(C)CC1 ZINC000697661985 815093355 /nfs/dbraw/zinc/09/33/55/815093355.db2.gz HULWDBLWIVWNPB-AWEZNQCLSA-N 2 2 281.448 0.587 20 0 CCADLP F[C@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCC2(CC1)OCCO2 ZINC001246084590 807146343 /nfs/dbraw/zinc/14/63/43/807146343.db2.gz FYFJCSXVVMFFAJ-RYUDHWBXSA-N 2 2 258.337 0.962 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@@H](N[C@@H]2CCCC[NH2+]C2)C[NH2+]1 ZINC001246088990 807149699 /nfs/dbraw/zinc/14/96/99/807149699.db2.gz AOKIZLPLVNURLA-YRGRVCCFSA-N 2 2 269.389 0.402 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@@H]2CCCC[C@@H]2[NH3+])C[NH2+]1 ZINC001246101366 807153594 /nfs/dbraw/zinc/15/35/94/807153594.db2.gz LAEIGQMLSPSIGQ-RVMXOQNASA-N 2 2 283.416 0.918 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](NC[C@]2(C(F)(F)F)CC[NH2+]C2)C[NH2+]1 ZINC001246110904 807155167 /nfs/dbraw/zinc/15/51/67/807155167.db2.gz JEPXNWYRDSXWJG-YWVKMMECSA-N 2 2 295.305 0.022 20 0 CCADLP C[C@H]1CC[C@@H]([NH2+]C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)C[NH2+]1 ZINC001246157079 807171372 /nfs/dbraw/zinc/17/13/72/807171372.db2.gz PQJYKNDHJXEUAP-PDWCTOEPSA-N 3 2 253.390 0.341 20 0 CCADLP CC[C@@H]1C[C@H]([NH2+]C[C@]2(O)CCC[NH2+]C2)C[C@H](CC)[NH2+]1 ZINC001246225077 807191568 /nfs/dbraw/zinc/19/15/68/807191568.db2.gz APNAAPDMUKKXPB-YJNKXOJESA-N 3 2 269.433 1.000 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N2C[C@H](CC[NH3+])c3ccccc32)C[NH2+]1 ZINC001246235722 807194052 /nfs/dbraw/zinc/19/40/52/807194052.db2.gz KNPPPWUJXDZSIG-OBJOEFQTSA-N 2 2 289.379 0.843 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N2C[C@@H](CC[NH3+])c3ccccc32)C[NH2+]1 ZINC001246235720 807194108 /nfs/dbraw/zinc/19/41/08/807194108.db2.gz KNPPPWUJXDZSIG-DYEKYZERSA-N 2 2 289.379 0.843 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N2CC[C@@H]([NH3+])c3ccccc32)C[NH2+]1 ZINC001246260008 807199749 /nfs/dbraw/zinc/19/97/49/807199749.db2.gz DCRHLVWUGUSVDK-RTXFEEFZSA-N 2 2 275.352 0.800 20 0 CCADLP C[C@H]1CC[C@@H]([NH2+]C2CCN(C3COC3)CC2)C[NH2+]1 ZINC001246265453 807201247 /nfs/dbraw/zinc/20/12/47/807201247.db2.gz YLDMFOXZALWGSF-WCQYABFASA-N 2 2 253.390 0.580 20 0 CCADLP C[C@H]1CC[C@@H](NC2CC[NH+](C3COC3)CC2)C[NH2+]1 ZINC001246265453 807201254 /nfs/dbraw/zinc/20/12/54/807201254.db2.gz YLDMFOXZALWGSF-WCQYABFASA-N 2 2 253.390 0.580 20 0 CCADLP C[C@H]1CC[C@H]([NH2+]C2CCN(C3COC3)CC2)C[NH2+]1 ZINC001246265450 807201919 /nfs/dbraw/zinc/20/19/19/807201919.db2.gz YLDMFOXZALWGSF-AAEUAGOBSA-N 2 2 253.390 0.580 20 0 CCADLP C[C@H]1CC[C@H](NC2CC[NH+](C3COC3)CC2)C[NH2+]1 ZINC001246265450 807201923 /nfs/dbraw/zinc/20/19/23/807201923.db2.gz YLDMFOXZALWGSF-AAEUAGOBSA-N 2 2 253.390 0.580 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@@H](NC[C@@H]([NH3+])c2ccccc2)C[NH2+]1 ZINC001246280012 807205680 /nfs/dbraw/zinc/20/56/80/807205680.db2.gz POJJPBGZJIQSAH-IIAWOOMASA-N 2 2 291.395 0.960 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H](NC2(C[NH3+])CCCC2)C[NH2+]1 ZINC001246285118 807207596 /nfs/dbraw/zinc/20/75/96/807207596.db2.gz DTMQPWPAFRCRSW-NEPJUHHUSA-N 2 2 283.416 0.920 20 0 CCADLP CN(C)C(=O)N1CCC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC001246325596 807222821 /nfs/dbraw/zinc/22/28/21/807222821.db2.gz CBXKDIRFHSWVGM-NWDGAFQWSA-N 2 2 254.378 0.474 20 0 CCADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)N[C@H]1CC[NH2+][C@H](C)C1 ZINC001246332800 807224690 /nfs/dbraw/zinc/22/46/90/807224690.db2.gz JBNORFHMLBMKNX-NTZNESFSSA-N 2 2 280.372 0.234 20 0 CCADLP CCOC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)CCN1 ZINC001246345485 807227992 /nfs/dbraw/zinc/22/79/92/807227992.db2.gz BJYACCSMWGTXEW-TUAOUCFPSA-N 2 2 255.362 0.012 20 0 CCADLP c1cc(C[NH2+][C@@H]2CCC[NH2+]C2)cc(N2CC[NH2+]CC2)c1 ZINC001246353354 807230917 /nfs/dbraw/zinc/23/09/17/807230917.db2.gz ZXWXSWGCYSJLSH-OAHLLOKOSA-N 3 2 274.412 0.938 20 0 CCADLP c1nc(C[NH2+]C2CC[NH2+]CC2)cc(OC2CCOCC2)n1 ZINC001246384565 807238825 /nfs/dbraw/zinc/23/88/25/807238825.db2.gz QCUXXMFHKHOHRZ-UHFFFAOYSA-N 2 2 292.383 0.876 20 0 CCADLP CCOC(=O)[C@H](N)C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001246415531 807247455 /nfs/dbraw/zinc/24/74/55/807247455.db2.gz DIFVUIUJPLTNRA-RBSFLKMASA-N 2 2 291.395 0.960 20 0 CCADLP COCCOc1nccc(C[NH2+]C2CC[NH2+]CC2)n1 ZINC001246432937 807249844 /nfs/dbraw/zinc/24/98/44/807249844.db2.gz FXQJRGNSQPPQCF-UHFFFAOYSA-N 2 2 266.345 0.343 20 0 CCADLP CCOC(=O)CC[C@H](C)[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246450895 807252442 /nfs/dbraw/zinc/25/24/42/807252442.db2.gz DLYNLWQPWRCUHO-LBPRGKRZSA-N 3 2 259.394 0.636 20 0 CCADLP COC(=O)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246450522 807253668 /nfs/dbraw/zinc/25/36/68/807253668.db2.gz XAJPGBHFWXXTNR-QCNOEVLYSA-N 2 2 256.346 0.295 20 0 CCADLP CC[C@@]1(CN[C@@H]2C[NH2+][C@H](C(=O)OC)C2)CCC[NH2+]1 ZINC001246456538 807255152 /nfs/dbraw/zinc/25/51/52/807255152.db2.gz MBVZQTZTTPCWNM-GVXVVHGQSA-N 2 2 255.362 0.012 20 0 CCADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1C1CCN(S(C)(=O)=O)CC1 ZINC001246538981 807277697 /nfs/dbraw/zinc/27/76/97/807277697.db2.gz RFXLOSTZELVURA-JQWIXIFHSA-N 2 2 275.418 0.222 20 0 CCADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1C1CCN(S(C)(=O)=O)CC1 ZINC001246538981 807277703 /nfs/dbraw/zinc/27/77/03/807277703.db2.gz RFXLOSTZELVURA-JQWIXIFHSA-N 2 2 275.418 0.222 20 0 CCADLP CCOC(=O)[C@H]1CC[C@H]([N@H+]2[C@@H](C)CC[C@H]2C[NH3+])CO1 ZINC001246540071 807277760 /nfs/dbraw/zinc/27/77/60/807277760.db2.gz FDJRLLFBRACPIW-ZDEQEGDKSA-N 2 2 270.373 0.909 20 0 CCADLP COC(=O)[C@]1(F)CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246548303 807282595 /nfs/dbraw/zinc/28/25/95/807282595.db2.gz HFLUWESYMBJMOJ-LMSJBEHQSA-N 2 2 256.321 0.856 20 0 CCADLP COC(=O)[C@]1(F)CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246548303 807282598 /nfs/dbraw/zinc/28/25/98/807282598.db2.gz HFLUWESYMBJMOJ-LMSJBEHQSA-N 2 2 256.321 0.856 20 0 CCADLP CC[C@@H]1C[C@@H]([N@@H+]2CCCC[C@](O)(C[NH3+])C2)CC[NH2+]1 ZINC001246561623 807290352 /nfs/dbraw/zinc/29/03/52/807290352.db2.gz RIBXPCQHAVKXED-RDBSUJKOSA-N 3 2 255.406 0.693 20 0 CCADLP CC[C@@H]1C[C@@H]([N@H+]2CCCC[C@](O)(C[NH3+])C2)CC[NH2+]1 ZINC001246561623 807290358 /nfs/dbraw/zinc/29/03/58/807290358.db2.gz RIBXPCQHAVKXED-RDBSUJKOSA-N 3 2 255.406 0.693 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CN1 ZINC001246565635 807292246 /nfs/dbraw/zinc/29/22/46/807292246.db2.gz CTCPLQMIUXOFCB-USZNOCQGSA-N 2 2 273.352 0.041 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CN1 ZINC001246565635 807292252 /nfs/dbraw/zinc/29/22/52/807292252.db2.gz CTCPLQMIUXOFCB-USZNOCQGSA-N 2 2 273.352 0.041 20 0 CCADLP CS(=O)(=O)N1CCC([N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246593060 807313418 /nfs/dbraw/zinc/31/34/18/807313418.db2.gz WFRQQRBLXDPHFE-RYUDHWBXSA-N 2 2 293.408 0.172 20 0 CCADLP CS(=O)(=O)N1CCC([N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CC1 ZINC001246593060 807313426 /nfs/dbraw/zinc/31/34/26/807313426.db2.gz WFRQQRBLXDPHFE-RYUDHWBXSA-N 2 2 293.408 0.172 20 0 CCADLP C[C@H]1CC[C@@H]([NH+]2CCC(C(=O)N3CC[NH2+]CC3)CC2)C[NH2+]1 ZINC001246675503 807352292 /nfs/dbraw/zinc/35/22/92/807352292.db2.gz RUNLXOYPCIIHPF-DZGCQCFKSA-N 3 2 294.443 0.271 20 0 CCADLP CC(=O)N1CCC2(CC1)C[N@H+]([C@H]1CC[NH2+][C@@H](C)C1)CCO2 ZINC001246722764 807366143 /nfs/dbraw/zinc/36/61/43/807366143.db2.gz SEUYDVIAIXBXLA-ZFWWWQNUSA-N 2 2 295.427 0.840 20 0 CCADLP CC(=O)N1CCC2(CC1)C[N@@H+]([C@H]1CC[NH2+][C@@H](C)C1)CCO2 ZINC001246722764 807366151 /nfs/dbraw/zinc/36/61/51/807366151.db2.gz SEUYDVIAIXBXLA-ZFWWWQNUSA-N 2 2 295.427 0.840 20 0 CCADLP CC[N@@H+]1CCO[C@@H]2C[NH+]([C@@H]3CC[NH2+][C@H](C)C3)C[C@@H]2C1 ZINC001246755924 807370225 /nfs/dbraw/zinc/37/02/25/807370225.db2.gz UPELUFHXOPCOSX-LXTVHRRPSA-N 3 2 267.417 0.779 20 0 CCADLP CC[N@H+]1CCO[C@@H]2C[NH+]([C@@H]3CC[NH2+][C@H](C)C3)C[C@@H]2C1 ZINC001246755924 807370232 /nfs/dbraw/zinc/37/02/32/807370232.db2.gz UPELUFHXOPCOSX-LXTVHRRPSA-N 3 2 267.417 0.779 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@@H+]([C@@H]3CC[NH2+][C@H](C)C3)C[C@@H]2C1 ZINC001246755924 807370239 /nfs/dbraw/zinc/37/02/39/807370239.db2.gz UPELUFHXOPCOSX-LXTVHRRPSA-N 3 2 267.417 0.779 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@H+]([C@@H]3CC[NH2+][C@H](C)C3)C[C@@H]2C1 ZINC001246755924 807370245 /nfs/dbraw/zinc/37/02/45/807370245.db2.gz UPELUFHXOPCOSX-LXTVHRRPSA-N 3 2 267.417 0.779 20 0 CCADLP CS(=O)(=O)N1C[C@H]2CCC[N@@H+](C3CC[NH2+]CC3)[C@H]2C1 ZINC001246750113 807371251 /nfs/dbraw/zinc/37/12/51/807371251.db2.gz YBQJHRHBVQVSFS-YPMHNXCESA-N 2 2 287.429 0.094 20 0 CCADLP CS(=O)(=O)N1C[C@H]2CCC[N@H+](C3CC[NH2+]CC3)[C@H]2C1 ZINC001246750113 807371255 /nfs/dbraw/zinc/37/12/55/807371255.db2.gz YBQJHRHBVQVSFS-YPMHNXCESA-N 2 2 287.429 0.094 20 0 CCADLP CCN(CC[NH+]1CCCC1)[C@@H]1C[NH2+][C@H](C(=O)OC)C1 ZINC001246793161 807380075 /nfs/dbraw/zinc/38/00/75/807380075.db2.gz AXWPDHHANNQSAG-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP CC[N@H+](C1CC[NH+](C)CC1)[C@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246791953 807381024 /nfs/dbraw/zinc/38/10/24/807381024.db2.gz ZIMUZAIWHJWVHW-KBPBESRZSA-N 2 2 283.416 0.696 20 0 CCADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246791953 807381033 /nfs/dbraw/zinc/38/10/33/807381033.db2.gz ZIMUZAIWHJWVHW-KBPBESRZSA-N 2 2 283.416 0.696 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N2CC[C@@H]([NH+]3CCCC3)C2)C[NH2+]1 ZINC001246800696 807387129 /nfs/dbraw/zinc/38/71/29/807387129.db2.gz RPIFNURLTVAQDB-AGIUHOORSA-N 2 2 267.373 0.060 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N2CC[C@H]([NH+]3CCCC3)C2)C[NH2+]1 ZINC001246800697 807387290 /nfs/dbraw/zinc/38/72/90/807387290.db2.gz RPIFNURLTVAQDB-AVGNSLFASA-N 2 2 267.373 0.060 20 0 CCADLP COCC[N@H+](C1CC[NH2+]CC1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246836854 807399818 /nfs/dbraw/zinc/39/98/18/807399818.db2.gz PKRQEHRZUDBVGZ-OCCSQVGLSA-N 3 2 255.406 0.827 20 0 CCADLP COCC[N@@H+](C1CC[NH2+]CC1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246836854 807399826 /nfs/dbraw/zinc/39/98/26/807399826.db2.gz PKRQEHRZUDBVGZ-OCCSQVGLSA-N 3 2 255.406 0.827 20 0 CCADLP COC(=O)[C@@H]1COCCC12C[NH+]([C@@H]1CC[NH2+][C@H](C)C1)C2 ZINC001246854943 807408290 /nfs/dbraw/zinc/40/82/90/807408290.db2.gz RMNDWMZDGOTSGF-UPJWGTAASA-N 2 2 282.384 0.638 20 0 CCADLP C[C@H]1C[C@H]([NH+]2CCN(c3ncc(O)cn3)CC2)CC[NH2+]1 ZINC001246911159 807426024 /nfs/dbraw/zinc/42/60/24/807426024.db2.gz BZMOLSCMNMKMMM-NWDGAFQWSA-N 2 2 277.372 0.445 20 0 CCADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]21 ZINC001246913818 807427329 /nfs/dbraw/zinc/42/73/29/807427329.db2.gz HBAURMPPRKYQOO-RDBSUJKOSA-N 3 2 264.417 0.106 20 0 CCADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]21 ZINC001246913818 807427330 /nfs/dbraw/zinc/42/73/30/807427330.db2.gz HBAURMPPRKYQOO-RDBSUJKOSA-N 3 2 264.417 0.106 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]21 ZINC001246913818 807427332 /nfs/dbraw/zinc/42/73/32/807427332.db2.gz HBAURMPPRKYQOO-RDBSUJKOSA-N 3 2 264.417 0.106 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCNC4(C[NH2+]C4)C3)C[C@@H]21 ZINC001246913818 807427336 /nfs/dbraw/zinc/42/73/36/807427336.db2.gz HBAURMPPRKYQOO-RDBSUJKOSA-N 3 2 264.417 0.106 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](C2CCC3(COC3)CC2)C[C@@H]1[NH3+] ZINC001246931787 807432421 /nfs/dbraw/zinc/43/24/21/807432421.db2.gz OCCFFCPPGIOJFX-RYUDHWBXSA-N 2 2 268.357 0.378 20 0 CCADLP COC(=O)[C@H]1C[N@H+](C2CCC3(COC3)CC2)C[C@@H]1[NH3+] ZINC001246931787 807432424 /nfs/dbraw/zinc/43/24/24/807432424.db2.gz OCCFFCPPGIOJFX-RYUDHWBXSA-N 2 2 268.357 0.378 20 0 CCADLP C[C@H]1C[C@H]([N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)CC[NH2+]1 ZINC001246956612 807440305 /nfs/dbraw/zinc/44/03/05/807440305.db2.gz ZJKUKXFBSNCIIJ-BFHYXJOUSA-N 3 2 282.432 0.269 20 0 CCADLP C[C@H]1C[C@H]([N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)CC[NH2+]1 ZINC001246956612 807440310 /nfs/dbraw/zinc/44/03/10/807440310.db2.gz ZJKUKXFBSNCIIJ-BFHYXJOUSA-N 3 2 282.432 0.269 20 0 CCADLP C[C@@H]1C[NH+](C2CN([C@H]3CCC[NH2+]C3)C2)C[C@@H](C)O1 ZINC001246991600 807449731 /nfs/dbraw/zinc/44/97/31/807449731.db2.gz IURGDQUCTWDSIX-UPJWGTAASA-N 2 2 253.390 0.532 20 0 CCADLP COc1cc(F)c(-c2noc(C[C@@H]([NH3+])C[NH3+])n2)cc1OC ZINC001249128971 807544902 /nfs/dbraw/zinc/54/49/02/807544902.db2.gz JCKLRRCCIQGLNP-SSDOTTSWSA-N 2 2 296.302 0.721 20 0 CCADLP O[C@H](C[NH2+]CCn1cc[nH+]c1)COCC(F)(F)C(F)F ZINC001251545354 807685408 /nfs/dbraw/zinc/68/54/08/807685408.db2.gz NNYVNBAGXPJLCW-SECBINFHSA-N 2 2 299.268 0.751 20 0 CCADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+](C[C@H](C)O)C2)C1 ZINC001251959384 807751402 /nfs/dbraw/zinc/75/14/02/807751402.db2.gz FCARWIBDWPAWMI-LSDHHAIUSA-N 2 2 286.416 0.428 20 0 CCADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+](C[C@H](C)O)C2)C1 ZINC001251959384 807751405 /nfs/dbraw/zinc/75/14/05/807751405.db2.gz FCARWIBDWPAWMI-LSDHHAIUSA-N 2 2 286.416 0.428 20 0 CCADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+](C[C@H](C)O)C2)C1 ZINC001251959384 807751411 /nfs/dbraw/zinc/75/14/11/807751411.db2.gz FCARWIBDWPAWMI-LSDHHAIUSA-N 2 2 286.416 0.428 20 0 CCADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+](C[C@H](C)O)C2)C1 ZINC001251959384 807751415 /nfs/dbraw/zinc/75/14/15/807751415.db2.gz FCARWIBDWPAWMI-LSDHHAIUSA-N 2 2 286.416 0.428 20 0 CCADLP CCOC[C@@H](O)C[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001252024630 807765204 /nfs/dbraw/zinc/76/52/04/807765204.db2.gz PAIHWLAOGWYQOS-MELADBBJSA-N 2 2 272.389 0.036 20 0 CCADLP CCOC[C@@H](O)C[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001252024630 807765211 /nfs/dbraw/zinc/76/52/11/807765211.db2.gz PAIHWLAOGWYQOS-MELADBBJSA-N 2 2 272.389 0.036 20 0 CCADLP CCOC[C@@H](O)C[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001252024630 807765215 /nfs/dbraw/zinc/76/52/15/807765215.db2.gz PAIHWLAOGWYQOS-MELADBBJSA-N 2 2 272.389 0.036 20 0 CCADLP CCOC[C@@H](O)C[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001252024630 807765221 /nfs/dbraw/zinc/76/52/21/807765221.db2.gz PAIHWLAOGWYQOS-MELADBBJSA-N 2 2 272.389 0.036 20 0 CCADLP CCOCC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC001278696793 808003176 /nfs/dbraw/zinc/00/31/76/808003176.db2.gz NSVHJQSHHAMYKS-ZDUSSCGKSA-N 2 2 294.399 0.746 20 0 CCADLP C[NH+]1CC(C[NH2+]C[C@H](O)COc2ccc(CCO)cc2)C1 ZINC001253165335 808015017 /nfs/dbraw/zinc/01/50/17/808015017.db2.gz JWEYHTNKUVLAQY-HNNXBMFYSA-N 2 2 294.395 0.112 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@H](N(C)C(C)=O)C1 ZINC001253192711 808027176 /nfs/dbraw/zinc/02/71/76/808027176.db2.gz XELBVDZNKVHHRR-KBPBESRZSA-N 2 2 271.405 0.242 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@H](N(C)C(C)=O)C1 ZINC001253192711 808027186 /nfs/dbraw/zinc/02/71/86/808027186.db2.gz XELBVDZNKVHHRR-KBPBESRZSA-N 2 2 271.405 0.242 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+]C1(C(N)=O)CCCCC1 ZINC001253204042 808029148 /nfs/dbraw/zinc/02/91/48/808029148.db2.gz PAKZIVPUOPMRGB-LBPRGKRZSA-N 2 2 271.405 0.467 20 0 CCADLP C[NH+]1CCN(C2C[NH+](C[C@H](O)COC(C)(C)C)C2)CC1 ZINC001253458636 808071532 /nfs/dbraw/zinc/07/15/32/808071532.db2.gz ATBGXZLQINZFJZ-AWEZNQCLSA-N 2 2 285.432 0.094 20 0 CCADLP CC[N@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](O)C1 ZINC001083501106 815172449 /nfs/dbraw/zinc/17/24/49/815172449.db2.gz WRPNRYYPGOZTKG-NEPJUHHUSA-N 2 2 297.424 0.605 20 0 CCADLP CC[N@@H+]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](O)C1 ZINC001083501106 815172456 /nfs/dbraw/zinc/17/24/56/815172456.db2.gz WRPNRYYPGOZTKG-NEPJUHHUSA-N 2 2 297.424 0.605 20 0 CCADLP CO[C@H](C)C[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001101071534 815176702 /nfs/dbraw/zinc/17/67/02/815176702.db2.gz MFEMUFDNHYTXJX-PNESKVBLSA-N 2 2 280.372 0.402 20 0 CCADLP CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CC[C@H]([NH3+])C2)CC1=O ZINC001254227870 808197289 /nfs/dbraw/zinc/19/72/89/808197289.db2.gz HOJXZYITCWLPLG-QWRGUYRKSA-N 2 2 283.372 0.946 20 0 CCADLP CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CC[C@H]([NH3+])C2)CC1=O ZINC001254227870 808197293 /nfs/dbraw/zinc/19/72/93/808197293.db2.gz HOJXZYITCWLPLG-QWRGUYRKSA-N 2 2 283.372 0.946 20 0 CCADLP O[C@@H]1CCN(CC[NH2+][C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254840753 808285900 /nfs/dbraw/zinc/28/59/00/808285900.db2.gz NJFAVOYQJBBKME-ZIAGYGMSSA-N 2 2 253.390 0.127 20 0 CCADLP CC(=O)N1CC[C@H](C[NH2+][C@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254848460 808287093 /nfs/dbraw/zinc/28/70/93/808287093.db2.gz QRNLCKJWAVEPKZ-CABCVRRESA-N 2 2 265.401 0.929 20 0 CCADLP C[N@@H+]1CC[C@@H](N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC001255437046 808368272 /nfs/dbraw/zinc/36/82/72/808368272.db2.gz XHRXHZFYYCOCKD-OAHLLOKOSA-N 2 2 260.385 0.903 20 0 CCADLP C[N@H+]1CC[C@@H](N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC001255437046 808368280 /nfs/dbraw/zinc/36/82/80/808368280.db2.gz XHRXHZFYYCOCKD-OAHLLOKOSA-N 2 2 260.385 0.903 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@H]2CC3CC[NH+]2CC3)CC1 ZINC001142628503 815208432 /nfs/dbraw/zinc/20/84/32/815208432.db2.gz JHJJPWNUCNVKOM-CQSZACIVSA-N 2 2 281.400 0.261 20 0 CCADLP C[NH+]1CCC([NH2+][C@@H](Cc2ccc(O)cc2)C(O)O)CC1 ZINC001256200320 808477279 /nfs/dbraw/zinc/47/72/79/808477279.db2.gz QDDIRSQWNKBZNM-AWEZNQCLSA-N 2 2 280.368 0.298 20 0 CCADLP O=C1OCC[C@@H]1[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256677064 808546747 /nfs/dbraw/zinc/54/67/47/808546747.db2.gz KMUOSOAKFJOXAB-BPCQOVAHSA-N 2 2 268.357 0.535 20 0 CCADLP [NH3+]CC[N@H+](CCO)C1CCN(C(=O)c2ccccc2)CC1 ZINC001258636481 808696987 /nfs/dbraw/zinc/69/69/87/808696987.db2.gz NNDUCQLOPNZUTK-UHFFFAOYSA-N 2 2 291.395 0.544 20 0 CCADLP [NH3+]CC[N@@H+](CCO)C1CCN(C(=O)c2ccccc2)CC1 ZINC001258636481 808696990 /nfs/dbraw/zinc/69/69/90/808696990.db2.gz NNDUCQLOPNZUTK-UHFFFAOYSA-N 2 2 291.395 0.544 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001076107503 815244684 /nfs/dbraw/zinc/24/46/84/815244684.db2.gz ZGAJODWFFMDOPE-MELADBBJSA-N 2 2 292.383 0.187 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001076107503 815244686 /nfs/dbraw/zinc/24/46/86/815244686.db2.gz ZGAJODWFFMDOPE-MELADBBJSA-N 2 2 292.383 0.187 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH+]1CC=CC1 ZINC001261707335 809059695 /nfs/dbraw/zinc/05/96/95/809059695.db2.gz KCGDCRVJYZWVLU-VXGBXAGGSA-N 2 2 260.341 0.512 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001261782221 809087880 /nfs/dbraw/zinc/08/78/80/809087880.db2.gz AAMKSJIODITEEH-MNOVXSKESA-N 2 2 250.346 0.417 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC001262094400 809189139 /nfs/dbraw/zinc/18/91/39/809189139.db2.gz HYWUDUDCBRJSAY-NEPJUHHUSA-N 2 2 263.345 0.456 20 0 CCADLP O[C@@H]1CCOC2(CC[NH+](CCn3cc[nH+]c3)CC2)C1 ZINC001262319375 809274315 /nfs/dbraw/zinc/27/43/15/809274315.db2.gz GMGPJMDWHPNHER-CYBMUJFWSA-N 2 2 265.357 0.889 20 0 CCADLP C/C=C/C[C@H](CO)NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001262592672 809363895 /nfs/dbraw/zinc/36/38/95/809363895.db2.gz YLIPZDLHVXWVHW-YWVDXFKGSA-N 2 2 284.404 0.036 20 0 CCADLP C[C@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)CC[NH3+] ZINC000382733756 809553584 /nfs/dbraw/zinc/55/35/84/809553584.db2.gz FDGOFMJMPPXELA-ZDUSSCGKSA-N 2 2 297.424 0.481 20 0 CCADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)CC[NH3+] ZINC000382733756 809553589 /nfs/dbraw/zinc/55/35/89/809553589.db2.gz FDGOFMJMPPXELA-ZDUSSCGKSA-N 2 2 297.424 0.481 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@H+](CCCF)C[C@H]21 ZINC001076461137 815300361 /nfs/dbraw/zinc/30/03/61/815300361.db2.gz RTPGFWFMKJAXIS-GXTWGEPZSA-N 2 2 294.374 0.855 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2C[N@@H+](CCCF)C[C@H]21 ZINC001076461137 815300365 /nfs/dbraw/zinc/30/03/65/815300365.db2.gz RTPGFWFMKJAXIS-GXTWGEPZSA-N 2 2 294.374 0.855 20 0 CCADLP C[N@H+](CCCNC(=O)Cn1cc[nH+]c1)C[C@H]1CCCCO1 ZINC001265076282 809705130 /nfs/dbraw/zinc/70/51/30/809705130.db2.gz RGFCBWBMYARLPM-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP C[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)C[C@H]1CCCCO1 ZINC001265076282 809705136 /nfs/dbraw/zinc/70/51/36/809705136.db2.gz RGFCBWBMYARLPM-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP CCOCCC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001265297813 809750122 /nfs/dbraw/zinc/75/01/22/809750122.db2.gz YGFRVIKZUIXWGM-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP CCOCCC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001265297813 809750127 /nfs/dbraw/zinc/75/01/27/809750127.db2.gz YGFRVIKZUIXWGM-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCCC[C@H]1C[NH2+]CCO ZINC001265674025 809824054 /nfs/dbraw/zinc/82/40/54/809824054.db2.gz QCPYYHXWFYNASA-YNEHKIRRSA-N 2 2 292.383 0.476 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCCC[C@H]1C[NH2+]CCO ZINC001265674025 809824058 /nfs/dbraw/zinc/82/40/58/809824058.db2.gz QCPYYHXWFYNASA-YNEHKIRRSA-N 2 2 292.383 0.476 20 0 CCADLP C[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)C[C@@H]1CCCOC1 ZINC001265944572 809901169 /nfs/dbraw/zinc/90/11/69/809901169.db2.gz KMFTYWGFBGEUJG-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP C[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)C[C@@H]1CCCOC1 ZINC001265944572 809901174 /nfs/dbraw/zinc/90/11/74/809901174.db2.gz KMFTYWGFBGEUJG-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP COCCC[NH2+]C1CC(N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001279300874 809975327 /nfs/dbraw/zinc/97/53/27/809975327.db2.gz FXOLIWNWBINWBY-UHFFFAOYSA-N 2 2 280.372 0.568 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H]2C[N@@H+](C(C)C)C[C@@H]21 ZINC001083259652 811104030 /nfs/dbraw/zinc/10/40/30/811104030.db2.gz LOBXRQQVKUUPJS-UONOGXRCSA-N 2 2 292.383 0.581 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H]2C[N@H+](C(C)C)C[C@@H]21 ZINC001083259652 811104039 /nfs/dbraw/zinc/10/40/39/811104039.db2.gz LOBXRQQVKUUPJS-UONOGXRCSA-N 2 2 292.383 0.581 20 0 CCADLP CN(CC[NH2+]Cc1ncccn1)C(=O)C[NH+]1CCCC1 ZINC001267469951 811352169 /nfs/dbraw/zinc/35/21/69/811352169.db2.gz RFDDZPSBMGTXOF-UHFFFAOYSA-N 2 2 277.372 0.120 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@]12CCC[C@H]1C[N@@H+](CCO)C2 ZINC001111773835 811359018 /nfs/dbraw/zinc/35/90/18/811359018.db2.gz QFTYWKBOPWHNDP-WFASDCNBSA-N 2 2 292.383 0.305 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@]12CCC[C@H]1C[N@H+](CCO)C2 ZINC001111773835 811359029 /nfs/dbraw/zinc/35/90/29/811359029.db2.gz QFTYWKBOPWHNDP-WFASDCNBSA-N 2 2 292.383 0.305 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@]12CCC[C@H]1C[N@@H+](CCO)C2 ZINC001111773835 811359040 /nfs/dbraw/zinc/35/90/40/811359040.db2.gz QFTYWKBOPWHNDP-WFASDCNBSA-N 2 2 292.383 0.305 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@]12CCC[C@H]1C[N@H+](CCO)C2 ZINC001111773835 811359051 /nfs/dbraw/zinc/35/90/51/811359051.db2.gz QFTYWKBOPWHNDP-WFASDCNBSA-N 2 2 292.383 0.305 20 0 CCADLP CCN(CCNC(=O)CC[NH+](C)C)c1cc[nH+]c(C)n1 ZINC001100700927 811434067 /nfs/dbraw/zinc/43/40/67/811434067.db2.gz UMWLXGLEELFRJL-UHFFFAOYSA-N 2 2 279.388 0.679 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cc2ccccc2oc1=O ZINC001218594886 811588108 /nfs/dbraw/zinc/58/81/08/811588108.db2.gz NLFYRGDGZYSYSU-VIFPVBQESA-N 2 2 261.281 0.408 20 0 CCADLP Cc1nc(Cl)ncc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218586230 811588336 /nfs/dbraw/zinc/58/83/36/811588336.db2.gz KMGVLSGDSGTQJH-RQJHMYQMSA-N 2 2 255.709 0.066 20 0 CCADLP CC[N@@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001042249042 811618700 /nfs/dbraw/zinc/61/87/00/811618700.db2.gz FGGFQSBDYUULDU-YPMHNXCESA-N 2 2 262.357 0.895 20 0 CCADLP CC[N@H+]1CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]21 ZINC001042249042 811618704 /nfs/dbraw/zinc/61/87/04/811618704.db2.gz FGGFQSBDYUULDU-YPMHNXCESA-N 2 2 262.357 0.895 20 0 CCADLP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001077260547 815469604 /nfs/dbraw/zinc/46/96/04/815469604.db2.gz LHWAIAGKNBJCHE-IACUBPJLSA-N 2 2 292.383 0.015 20 0 CCADLP CC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1 ZINC001083570823 815471503 /nfs/dbraw/zinc/47/15/03/815471503.db2.gz RCRLSXVLPBCERN-OLZOCXBDSA-N 2 2 274.324 0.358 20 0 CCADLP CC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1 ZINC001083570823 815471505 /nfs/dbraw/zinc/47/15/05/815471505.db2.gz RCRLSXVLPBCERN-OLZOCXBDSA-N 2 2 274.324 0.358 20 0 CCADLP CCOCC[N@@H+]1CC[C@@H](N(CC)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001267790326 811786782 /nfs/dbraw/zinc/78/67/82/811786782.db2.gz MBFQSUIHBAVYNR-CQSZACIVSA-N 2 2 294.399 0.912 20 0 CCADLP CCOCC[N@H+]1CC[C@@H](N(CC)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001267790326 811786788 /nfs/dbraw/zinc/78/67/88/811786788.db2.gz MBFQSUIHBAVYNR-CQSZACIVSA-N 2 2 294.399 0.912 20 0 CCADLP COCC[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001105102089 811842059 /nfs/dbraw/zinc/84/20/59/811842059.db2.gz YHFHMOBRZRXZRN-ZIAGYGMSSA-N 2 2 294.399 0.604 20 0 CCADLP CC[NH2+]C[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001027230270 811976614 /nfs/dbraw/zinc/97/66/14/811976614.db2.gz YENJHWXNAAZYFQ-HIFRSBDPSA-N 2 2 295.427 0.555 20 0 CCADLP COC[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001268097290 812254475 /nfs/dbraw/zinc/25/44/75/812254475.db2.gz BVQREBTWHPFKDL-RYUDHWBXSA-N 2 2 268.361 0.355 20 0 CCADLP CCOCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001268288759 812449206 /nfs/dbraw/zinc/44/92/06/812449206.db2.gz OMOQDUYAAQDPCL-JSGCOSHPSA-N 2 2 294.399 0.863 20 0 CCADLP C[NH+]1CCC(C)(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000907261683 815535313 /nfs/dbraw/zinc/53/53/13/815535313.db2.gz UQCDTJOFBCMIDE-UHFFFAOYSA-N 2 2 250.346 0.800 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](Cc2ccnc(F)c2)CCC1=O ZINC001139834394 812550256 /nfs/dbraw/zinc/55/02/56/812550256.db2.gz GQAUIMHKUWYVBL-UHFFFAOYSA-N 2 2 294.374 0.817 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](Cc2ccnc(F)c2)CCC1=O ZINC001139834394 812550259 /nfs/dbraw/zinc/55/02/59/812550259.db2.gz GQAUIMHKUWYVBL-UHFFFAOYSA-N 2 2 294.374 0.817 20 0 CCADLP O=C(N1CCC2(CC1)[NH2+]Cc1ccccc12)C1(F)C[NH2+]C1 ZINC001161592609 812663408 /nfs/dbraw/zinc/66/34/08/812663408.db2.gz YSBFHLKACAUDLO-UHFFFAOYSA-N 2 2 289.354 0.919 20 0 CCADLP COc1cc(Cl)cnc1-c1noc([C@H]2C[NH2+]C[C@@H]2[NH3+])n1 ZINC001211757711 812687438 /nfs/dbraw/zinc/68/74/38/812687438.db2.gz MTDFNYOGYRYACY-YUMQZZPRSA-N 2 2 295.730 0.808 20 0 CCADLP C[C@H](O)CCC[NH2+]C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001268705672 813025141 /nfs/dbraw/zinc/02/51/41/813025141.db2.gz LDPANSJTTUKKEP-QWRGUYRKSA-N 2 2 268.361 0.208 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001269192306 813258892 /nfs/dbraw/zinc/25/88/92/813258892.db2.gz SGZNLUYMGFAHFI-GFCCVEGCSA-N 2 2 264.373 0.952 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001269192306 813258896 /nfs/dbraw/zinc/25/88/96/813258896.db2.gz SGZNLUYMGFAHFI-GFCCVEGCSA-N 2 2 264.373 0.952 20 0 CCADLP C[C@H](O)C[NH2+]CC[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001269771021 813502235 /nfs/dbraw/zinc/50/22/35/813502235.db2.gz VPXDHOKQPOSMRA-QWHCGFSZSA-N 2 2 294.399 0.551 20 0 CCADLP Cc1cccnc1C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126436496 813583136 /nfs/dbraw/zinc/58/31/36/813583136.db2.gz CTPQZJWMQQEVEA-UHFFFAOYSA-N 2 2 287.367 0.952 20 0 CCADLP C[C@]1(NC(=O)CCn2cc[nH+]c2)CC[N@H+](CCF)C1 ZINC001270615743 813839922 /nfs/dbraw/zinc/83/99/22/813839922.db2.gz PRZSUIZQPAORSY-ZDUSSCGKSA-N 2 2 268.336 0.823 20 0 CCADLP C[C@]1(NC(=O)CCn2cc[nH+]c2)CC[N@@H+](CCF)C1 ZINC001270615743 813839932 /nfs/dbraw/zinc/83/99/32/813839932.db2.gz PRZSUIZQPAORSY-ZDUSSCGKSA-N 2 2 268.336 0.823 20 0 CCADLP COCCC[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001167979459 813883002 /nfs/dbraw/zinc/88/30/02/813883002.db2.gz RWYSXXMSJDNXJS-LBPRGKRZSA-N 2 2 282.388 0.721 20 0 CCADLP COCCC[NH2+]CCCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001167979459 813883014 /nfs/dbraw/zinc/88/30/14/813883014.db2.gz RWYSXXMSJDNXJS-LBPRGKRZSA-N 2 2 282.388 0.721 20 0 CCADLP CC[N@@H+](C)CC(=O)N1C[C@@H]2[C@H](C1)OCC[NH+]2C1CCCC1 ZINC001271085223 814145409 /nfs/dbraw/zinc/14/54/09/814145409.db2.gz WKNRKZKWQJOCGW-CABCVRRESA-N 2 2 295.427 0.792 20 0 CCADLP CC[NH+](C)CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C1CCCC1 ZINC001271085223 814145410 /nfs/dbraw/zinc/14/54/10/814145410.db2.gz WKNRKZKWQJOCGW-CABCVRRESA-N 2 2 295.427 0.792 20 0 CCADLP CC[NH+](C)CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C1CCCC1 ZINC001271085223 814145411 /nfs/dbraw/zinc/14/54/11/814145411.db2.gz WKNRKZKWQJOCGW-CABCVRRESA-N 2 2 295.427 0.792 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1C[C@H](C)OC ZINC001087847712 814235223 /nfs/dbraw/zinc/23/52/23/814235223.db2.gz NAGHTRXHZSNHGA-MELADBBJSA-N 2 2 294.399 0.887 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1C[C@H](C)OC ZINC001087847712 814235227 /nfs/dbraw/zinc/23/52/27/814235227.db2.gz NAGHTRXHZSNHGA-MELADBBJSA-N 2 2 294.399 0.887 20 0 CCADLP C[NH+]1CC2(CN(C(=O)[C@@H]3Cc4ccccc4C[N@@H+]3C)C2)C1 ZINC001271198642 814331190 /nfs/dbraw/zinc/33/11/90/814331190.db2.gz RLXSIXZFHGZAAY-HNNXBMFYSA-N 2 2 285.391 0.817 20 0 CCADLP C[NH+]1CC2(CN(C(=O)[C@@H]3Cc4ccccc4C[N@H+]3C)C2)C1 ZINC001271198642 814331199 /nfs/dbraw/zinc/33/11/99/814331199.db2.gz RLXSIXZFHGZAAY-HNNXBMFYSA-N 2 2 285.391 0.817 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCO ZINC001029554178 814421171 /nfs/dbraw/zinc/42/11/71/814421171.db2.gz QVPKDPBCHGDJNM-BETUJISGSA-N 2 2 292.383 0.020 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCO ZINC001029554178 814421172 /nfs/dbraw/zinc/42/11/72/814421172.db2.gz QVPKDPBCHGDJNM-BETUJISGSA-N 2 2 292.383 0.020 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H]1CCCCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001088390199 814667416 /nfs/dbraw/zinc/66/74/16/814667416.db2.gz IDZMDDPWQZCKHC-CHWSQXEVSA-N 2 2 294.399 0.694 20 0 CCADLP CC[NH+]1CCC(NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001228408799 814693054 /nfs/dbraw/zinc/69/30/54/814693054.db2.gz ZNAQQHJFKPSJCS-UHFFFAOYSA-N 2 2 264.373 0.953 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)NC2C[NH+](CCC(C)(C)C)C2)C1 ZINC001030181751 815874969 /nfs/dbraw/zinc/87/49/69/815874969.db2.gz GCWAOSHBKCMBBP-ZDUSSCGKSA-N 2 2 283.416 0.554 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)NC2C[NH+](CCC(C)(C)C)C2)C1 ZINC001030181751 815874972 /nfs/dbraw/zinc/87/49/72/815874972.db2.gz GCWAOSHBKCMBBP-ZDUSSCGKSA-N 2 2 283.416 0.554 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001030323363 815976334 /nfs/dbraw/zinc/97/63/34/815976334.db2.gz LCLVCGXROOFUAP-SMDDNHRTSA-N 2 2 281.400 0.164 20 0 CCADLP CC[N@H+](C)CCC(=O)NC[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC001105944114 816019857 /nfs/dbraw/zinc/01/98/57/816019857.db2.gz JTKPLXRMTPSSII-LBPRGKRZSA-N 2 2 295.387 0.016 20 0 CCADLP CC[N@@H+](C)CCC(=O)NC[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC001105944114 816019864 /nfs/dbraw/zinc/01/98/64/816019864.db2.gz JTKPLXRMTPSSII-LBPRGKRZSA-N 2 2 295.387 0.016 20 0 CCADLP COC1(OC)CCOC[C@H]1[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000698382582 816022365 /nfs/dbraw/zinc/02/23/65/816022365.db2.gz XIGNVAAKJGJACS-CHWSQXEVSA-N 2 2 272.389 0.838 20 0 CCADLP COC1(OC)CCOC[C@H]1[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000698382582 816022371 /nfs/dbraw/zinc/02/23/71/816022371.db2.gz XIGNVAAKJGJACS-CHWSQXEVSA-N 2 2 272.389 0.838 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CC[C@H]2CCOC2)C1 ZINC001030532695 816089397 /nfs/dbraw/zinc/08/93/97/816089397.db2.gz UNRBVIWSZLCFRB-ZFWWWQNUSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CC[C@H]2CCOC2)C1 ZINC001030532695 816089400 /nfs/dbraw/zinc/08/94/00/816089400.db2.gz UNRBVIWSZLCFRB-ZFWWWQNUSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](C[C@H]2CCOC2)C1 ZINC001030533573 816091723 /nfs/dbraw/zinc/09/17/23/816091723.db2.gz RGJRPUWHGWJTOO-OCCSQVGLSA-N 2 2 281.400 0.308 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](C[C@H]2CCOC2)C1 ZINC001030533573 816091730 /nfs/dbraw/zinc/09/17/30/816091730.db2.gz RGJRPUWHGWJTOO-OCCSQVGLSA-N 2 2 281.400 0.308 20 0 CCADLP CC(C)CC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001030832702 816327453 /nfs/dbraw/zinc/32/74/53/816327453.db2.gz HUZYYYSIMJNBTD-HNNXBMFYSA-N 2 2 297.443 0.942 20 0 CCADLP CC(C)CC[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001030832702 816327459 /nfs/dbraw/zinc/32/74/59/816327459.db2.gz HUZYYYSIMJNBTD-HNNXBMFYSA-N 2 2 297.443 0.942 20 0 CCADLP CC[N@@H+]1CCOC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001272437301 816427817 /nfs/dbraw/zinc/42/78/17/816427817.db2.gz HRUOSMMLFJQYNS-OAHLLOKOSA-N 2 2 292.383 0.454 20 0 CCADLP CC[N@H+]1CCOC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2)C1 ZINC001272437301 816427820 /nfs/dbraw/zinc/42/78/20/816427820.db2.gz HRUOSMMLFJQYNS-OAHLLOKOSA-N 2 2 292.383 0.454 20 0 CCADLP O=C(NCC[NH2+]Cc1cnon1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127255656 816466801 /nfs/dbraw/zinc/46/68/01/816466801.db2.gz KNBAZSSMIGOZIQ-WCQYABFASA-N 2 2 293.371 0.150 20 0 CCADLP O=C(NCC[NH2+]Cc1cnon1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127255656 816466806 /nfs/dbraw/zinc/46/68/06/816466806.db2.gz KNBAZSSMIGOZIQ-WCQYABFASA-N 2 2 293.371 0.150 20 0 CCADLP C[C@H]1CCC[N@@H+]1CC(=O)NC1CN(Cc2c[nH+]cn2C)C1 ZINC001030954532 816496131 /nfs/dbraw/zinc/49/61/31/816496131.db2.gz XBBYIJIHBKBQMG-LBPRGKRZSA-N 2 2 291.399 0.205 20 0 CCADLP C[C@H]1CCC[N@H+]1CC(=O)NC1CN(Cc2c[nH+]cn2C)C1 ZINC001030954532 816496137 /nfs/dbraw/zinc/49/61/37/816496137.db2.gz XBBYIJIHBKBQMG-LBPRGKRZSA-N 2 2 291.399 0.205 20 0 CCADLP CC[C@H](C[NH+]1CC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1)OC ZINC001030961978 816508860 /nfs/dbraw/zinc/50/88/60/816508860.db2.gz HXSXZIXGIIDPLQ-TZMCWYRMSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@H](C[NH+]1CC(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1)OC ZINC001030961978 816508866 /nfs/dbraw/zinc/50/88/66/816508866.db2.gz HXSXZIXGIIDPLQ-TZMCWYRMSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)=CC[NH2+]C[C@H](O)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001272529611 816554147 /nfs/dbraw/zinc/55/41/47/816554147.db2.gz MDCSSQJGXXHHNP-KGLIPLIRSA-N 2 2 294.399 0.867 20 0 CCADLP O=C1CCC[C@]2(C[NH2+]CC[N@@H+](CCCCCO)C2)N1 ZINC001235173639 816828984 /nfs/dbraw/zinc/82/89/84/816828984.db2.gz DHEILVTZLUWHEG-CQSZACIVSA-N 2 2 269.389 0.093 20 0 CCADLP O=C1CCC[C@]2(C[NH2+]CC[N@H+](CCCCCO)C2)N1 ZINC001235173639 816828988 /nfs/dbraw/zinc/82/89/88/816828988.db2.gz DHEILVTZLUWHEG-CQSZACIVSA-N 2 2 269.389 0.093 20 0 CCADLP CC1(C)CO[C@@H](C[NH+]2CC(NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001031390954 817024413 /nfs/dbraw/zinc/02/44/13/817024413.db2.gz XCVHUBLPYWVSGZ-CQSZACIVSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1C[NH+](CCCO)C1 ZINC001031432231 817049835 /nfs/dbraw/zinc/04/98/35/817049835.db2.gz YULBJABFYJKINY-TXEJJXNPSA-N 2 2 269.389 0.042 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1C[NH+](CCCO)C1 ZINC001031432231 817049841 /nfs/dbraw/zinc/04/98/41/817049841.db2.gz YULBJABFYJKINY-TXEJJXNPSA-N 2 2 269.389 0.042 20 0 CCADLP CC[C@@H](C)C[NH+]1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC001031476461 817071948 /nfs/dbraw/zinc/07/19/48/817071948.db2.gz PQZCQQRQQBJBFF-LLVKDONJSA-N 2 2 250.346 0.730 20 0 CCADLP O=C(NCC1C[NH+](CCF)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001031675640 817237115 /nfs/dbraw/zinc/23/71/15/817237115.db2.gz PKFTYPVYHQGQRK-ZDUSSCGKSA-N 2 2 269.364 0.346 20 0 CCADLP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](CCF)C2)C1 ZINC001031729338 817294655 /nfs/dbraw/zinc/29/46/55/817294655.db2.gz KSEIVIHASUNBBY-CQSZACIVSA-N 2 2 285.407 0.982 20 0 CCADLP CC(C)C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](CCF)C2)C1 ZINC001031729338 817294663 /nfs/dbraw/zinc/29/46/63/817294663.db2.gz KSEIVIHASUNBBY-CQSZACIVSA-N 2 2 285.407 0.982 20 0 CCADLP COCC[NH+]1CC(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001031778775 817359559 /nfs/dbraw/zinc/35/95/59/817359559.db2.gz YDKVTSHCCBDDFG-ZDUSSCGKSA-N 2 2 292.383 0.140 20 0 CCADLP COCC[NH+]1CC(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001031778774 817360171 /nfs/dbraw/zinc/36/01/71/817360171.db2.gz YDKVTSHCCBDDFG-CYBMUJFWSA-N 2 2 292.383 0.140 20 0 CCADLP CCN(CCNc1cc[nH+]c(C)n1)C(=O)CC[NH+](C)C ZINC001106945690 817465405 /nfs/dbraw/zinc/46/54/05/817465405.db2.gz LMAFVMAWAQHQIN-UHFFFAOYSA-N 2 2 279.388 0.997 20 0 CCADLP C[C@@H]1C[N@H+](CCCO)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943767545 817637535 /nfs/dbraw/zinc/63/75/35/817637535.db2.gz XJMCGEDIQMYVMJ-VXGBXAGGSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@@H]1C[N@@H+](CCCO)CC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC000943767545 817637543 /nfs/dbraw/zinc/63/75/43/817637543.db2.gz XJMCGEDIQMYVMJ-VXGBXAGGSA-N 2 2 280.372 0.161 20 0 CCADLP CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC000996708069 817850693 /nfs/dbraw/zinc/85/06/93/817850693.db2.gz SYTFXFFMGQQRIX-LLVKDONJSA-N 2 2 250.346 0.730 20 0 CCADLP CC(=O)Nc1nc(C)cc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001168736018 818541229 /nfs/dbraw/zinc/54/12/29/818541229.db2.gz XXWWBNVIYTWEIO-UHFFFAOYSA-N 2 2 291.359 0.337 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccn3cc(N)nc3c2)CC1 ZINC001168736757 818552654 /nfs/dbraw/zinc/55/26/54/818552654.db2.gz KCOCBEPHPUKCAI-UHFFFAOYSA-N 2 2 273.344 0.511 20 0 CCADLP COc1ccnc(NC(=[NH2+])N2CC[NH+](C)CC2)c1F ZINC001168736865 818554700 /nfs/dbraw/zinc/55/47/00/818554700.db2.gz QMPZKMCOGRQBFR-UHFFFAOYSA-N 2 2 267.308 0.823 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCO)CCN1C(=O)CCc1[nH+]ccn1C ZINC001044685722 818635854 /nfs/dbraw/zinc/63/58/54/818635854.db2.gz PBEABGJSLQVQQN-STQMWFEESA-N 2 2 294.399 0.314 20 0 CCADLP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](CCF)C1 ZINC001033199701 818639700 /nfs/dbraw/zinc/63/97/00/818639700.db2.gz WUUVQVXUHNMTPB-STQMWFEESA-N 2 2 271.380 0.973 20 0 CCADLP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](CCF)C1 ZINC001033199701 818639704 /nfs/dbraw/zinc/63/97/04/818639704.db2.gz WUUVQVXUHNMTPB-STQMWFEESA-N 2 2 271.380 0.973 20 0 CCADLP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](CCF)C1 ZINC001033199701 818639706 /nfs/dbraw/zinc/63/97/06/818639706.db2.gz WUUVQVXUHNMTPB-STQMWFEESA-N 2 2 271.380 0.973 20 0 CCADLP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](CCF)C1 ZINC001033199701 818639710 /nfs/dbraw/zinc/63/97/10/818639710.db2.gz WUUVQVXUHNMTPB-STQMWFEESA-N 2 2 271.380 0.973 20 0 CCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001033202840 818647556 /nfs/dbraw/zinc/64/75/56/818647556.db2.gz NZASXHJICDGIDX-OCCSQVGLSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001033202840 818647562 /nfs/dbraw/zinc/64/75/62/818647562.db2.gz NZASXHJICDGIDX-OCCSQVGLSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001033212234 818654354 /nfs/dbraw/zinc/65/43/54/818654354.db2.gz ROENNTGVVTZKRX-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001033212234 818654359 /nfs/dbraw/zinc/65/43/59/818654359.db2.gz ROENNTGVVTZKRX-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001033704412 818891934 /nfs/dbraw/zinc/89/19/34/818891934.db2.gz UWNCZBDBFAQFQE-UONOGXRCSA-N 2 2 292.383 0.452 20 0 CCADLP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001033704412 818891941 /nfs/dbraw/zinc/89/19/41/818891941.db2.gz UWNCZBDBFAQFQE-UONOGXRCSA-N 2 2 292.383 0.452 20 0 CCADLP CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033864975 818967492 /nfs/dbraw/zinc/96/74/92/818967492.db2.gz OQHVXCVCBCHGCB-JHJVBQTASA-N 2 2 292.383 0.428 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+]CCc1ccns1 ZINC001128967509 819238159 /nfs/dbraw/zinc/23/81/59/819238159.db2.gz TZAZQLLCFCOUFH-UHFFFAOYSA-N 2 2 293.396 0.747 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC[NH2+]CCc1ccns1 ZINC001128967509 819238164 /nfs/dbraw/zinc/23/81/64/819238164.db2.gz TZAZQLLCFCOUFH-UHFFFAOYSA-N 2 2 293.396 0.747 20 0 CCADLP CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001035415697 819518564 /nfs/dbraw/zinc/51/85/64/819518564.db2.gz DOOWMWSXPBAZCG-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001035415697 819518569 /nfs/dbraw/zinc/51/85/69/819518569.db2.gz DOOWMWSXPBAZCG-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001035415697 819518574 /nfs/dbraw/zinc/51/85/74/819518574.db2.gz DOOWMWSXPBAZCG-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001035415697 819518578 /nfs/dbraw/zinc/51/85/78/819518578.db2.gz DOOWMWSXPBAZCG-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP CO[C@H](C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001081037109 820671404 /nfs/dbraw/zinc/67/14/04/820671404.db2.gz WFVHZYSFYKQYNL-JHJVBQTASA-N 2 2 280.372 0.355 20 0 CCADLP CO[C@H](C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001081037109 820671407 /nfs/dbraw/zinc/67/14/07/820671407.db2.gz WFVHZYSFYKQYNL-JHJVBQTASA-N 2 2 280.372 0.355 20 0 CCADLP Cc1conc1C[NH2+]CC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001273213077 821169968 /nfs/dbraw/zinc/16/99/68/821169968.db2.gz YTYJSCQULQTBSY-LBPRGKRZSA-N 2 2 291.355 0.864 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCF)C[C@H]21 ZINC001084455179 821290559 /nfs/dbraw/zinc/29/05/59/821290559.db2.gz LNIDYZLFOBBWKK-HZSPNIEDSA-N 2 2 283.391 0.973 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCF)C[C@H]21 ZINC001084455179 821290565 /nfs/dbraw/zinc/29/05/65/821290565.db2.gz LNIDYZLFOBBWKK-HZSPNIEDSA-N 2 2 283.391 0.973 20 0 CCADLP C[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCF)C[C@H]21 ZINC001084455179 821290571 /nfs/dbraw/zinc/29/05/71/821290571.db2.gz LNIDYZLFOBBWKK-HZSPNIEDSA-N 2 2 283.391 0.973 20 0 CCADLP C[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCF)C[C@H]21 ZINC001084455179 821290578 /nfs/dbraw/zinc/29/05/78/821290578.db2.gz LNIDYZLFOBBWKK-HZSPNIEDSA-N 2 2 283.391 0.973 20 0 CCADLP CN(C[C@H]1CC[N@@H+]1CCF)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001085597815 821843056 /nfs/dbraw/zinc/84/30/56/821843056.db2.gz GUTMZPDOZULBIY-ZIAGYGMSSA-N 2 2 283.391 0.830 20 0 CCADLP CN(C[C@H]1CC[N@H+]1CCF)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001085597815 821843065 /nfs/dbraw/zinc/84/30/65/821843065.db2.gz GUTMZPDOZULBIY-ZIAGYGMSSA-N 2 2 283.391 0.830 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001085680451 821893161 /nfs/dbraw/zinc/89/31/61/821893161.db2.gz GZEBEZKRWXJSCC-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001085680451 821893166 /nfs/dbraw/zinc/89/31/66/821893166.db2.gz GZEBEZKRWXJSCC-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+](CCC[C@H](C)O)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155469340 822162832 /nfs/dbraw/zinc/16/28/32/822162832.db2.gz HHSWFQKGCQGTEL-OLZOCXBDSA-N 2 2 296.415 0.940 20 0 CCADLP CC[N@@H+](CCC[C@H](C)O)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001155469340 822162838 /nfs/dbraw/zinc/16/28/38/822162838.db2.gz HHSWFQKGCQGTEL-OLZOCXBDSA-N 2 2 296.415 0.940 20 0 CCADLP CN(CC[NH3+])CCNc1ccc(N2CCCC2)[nH+]c1 ZINC001170502433 837855533 /nfs/dbraw/zinc/85/55/33/837855533.db2.gz WNSWYYYBAPXQMB-UHFFFAOYSA-N 2 2 263.389 0.984 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)C[N@@H+](C)C1CCC1)c1ncccn1 ZINC001129532041 837521507 /nfs/dbraw/zinc/52/15/07/837521507.db2.gz OSDUAOLIHDROMM-GFCCVEGCSA-N 2 2 291.399 0.728 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)C[N@H+](C)C1CCC1)c1ncccn1 ZINC001129532041 837521500 /nfs/dbraw/zinc/52/15/00/837521500.db2.gz OSDUAOLIHDROMM-GFCCVEGCSA-N 2 2 291.399 0.728 20 0 CCADLP COCCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129891556 837577259 /nfs/dbraw/zinc/57/72/59/837577259.db2.gz MNGRCIQTNWKMMP-GHMZBOCLSA-N 2 2 266.345 0.256 20 0 CCADLP COCCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129891556 837577262 /nfs/dbraw/zinc/57/72/62/837577262.db2.gz MNGRCIQTNWKMMP-GHMZBOCLSA-N 2 2 266.345 0.256 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)[C@H]2CCCC[N@H+]2C)s1 ZINC001130296706 837750265 /nfs/dbraw/zinc/75/02/65/837750265.db2.gz BDWWABVKZSZCRT-LLVKDONJSA-N 2 2 297.428 0.537 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)[C@H]2CCCC[N@@H+]2C)s1 ZINC001130296706 837750269 /nfs/dbraw/zinc/75/02/69/837750269.db2.gz BDWWABVKZSZCRT-LLVKDONJSA-N 2 2 297.428 0.537 20 0 CCADLP CC[C@H](C[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)OC ZINC001130403912 837785360 /nfs/dbraw/zinc/78/53/60/837785360.db2.gz DQLWQHFYESMORY-TZMCWYRMSA-N 2 2 294.399 0.576 20 0 CCADLP COC[C@H](C)[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130481180 837806162 /nfs/dbraw/zinc/80/61/62/837806162.db2.gz MGUCJLXTBLOAPR-RYUDHWBXSA-N 2 2 280.372 0.186 20 0 CCADLP COCCCC[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130485079 837809567 /nfs/dbraw/zinc/80/95/67/837809567.db2.gz ZYESKWUPLRZYSP-CYBMUJFWSA-N 2 2 294.399 0.578 20 0 CCADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[C@@H]([NH2+]CCCF)C1 ZINC001183730650 844081776 /nfs/dbraw/zinc/08/17/76/844081776.db2.gz HZFXHEYJHSTTBF-CHWSQXEVSA-N 2 2 294.374 0.996 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001183774019 844087094 /nfs/dbraw/zinc/08/70/94/844087094.db2.gz WPVKWPLMQOWDTL-CHWSQXEVSA-N 2 2 292.383 0.282 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@]1(C)C[N@H+](C(C)C)CCO1 ZINC001108367541 835990407 /nfs/dbraw/zinc/99/04/07/835990407.db2.gz KFOGZXUIVZTPNJ-OAHLLOKOSA-N 2 2 294.399 0.876 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@]1(C)C[N@@H+](C(C)C)CCO1 ZINC001108367541 835990417 /nfs/dbraw/zinc/99/04/17/835990417.db2.gz KFOGZXUIVZTPNJ-OAHLLOKOSA-N 2 2 294.399 0.876 20 0 CCADLP CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001108439735 836111062 /nfs/dbraw/zinc/11/10/62/836111062.db2.gz SFZVFNQYDRGSHN-ZDUSSCGKSA-N 2 2 266.345 0.110 20 0 CCADLP CC[N@H+]1CCO[C@@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001108439735 836111068 /nfs/dbraw/zinc/11/10/68/836111068.db2.gz SFZVFNQYDRGSHN-ZDUSSCGKSA-N 2 2 266.345 0.110 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nccc(NCC2CC2)n1 ZINC001169067063 836122813 /nfs/dbraw/zinc/12/28/13/836122813.db2.gz NKQAREOVBXSCEL-LLVKDONJSA-N 2 2 288.355 0.346 20 0 CCADLP COc1c(F)nccc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169073009 836125401 /nfs/dbraw/zinc/12/54/01/836125401.db2.gz YBSSDVPDHYASIF-MRVPVSSYSA-N 2 2 266.276 0.277 20 0 CCADLP Cc1cc2nc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)ccc2[nH]1 ZINC001169072510 836125479 /nfs/dbraw/zinc/12/54/79/836125479.db2.gz UOAHFJGTFDZYOW-SNVBAGLBSA-N 2 2 271.324 0.919 20 0 CCADLP CCOc1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc(C)n1 ZINC001169072277 836125913 /nfs/dbraw/zinc/12/59/13/836125913.db2.gz LLOJFVNEMYCNGE-SNVBAGLBSA-N 2 2 277.328 0.232 20 0 CCADLP Cc1nc2cc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)ccc2[nH]1 ZINC001169073240 836127187 /nfs/dbraw/zinc/12/71/87/836127187.db2.gz FAYOZLUJOJLAES-SNVBAGLBSA-N 2 2 271.324 0.919 20 0 CCADLP CCOc1cc(C)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cn1 ZINC001169073479 836127464 /nfs/dbraw/zinc/12/74/64/836127464.db2.gz IVEBNDPSICCRQW-LLVKDONJSA-N 2 2 276.340 0.837 20 0 CCADLP COCc1cc(OC)ccc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169074980 836128979 /nfs/dbraw/zinc/12/89/79/836128979.db2.gz CTYZBUGQCSTEGR-GFCCVEGCSA-N 2 2 291.351 0.889 20 0 CCADLP COC(=O)CCC(=O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169098164 836130944 /nfs/dbraw/zinc/13/09/44/836130944.db2.gz GHUFQMLPOXLJQP-CNDDSTCGSA-N 2 2 268.357 0.724 20 0 CCADLP COC(=O)CCC(=O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169098164 836130948 /nfs/dbraw/zinc/13/09/48/836130948.db2.gz GHUFQMLPOXLJQP-CNDDSTCGSA-N 2 2 268.357 0.724 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CN(c3ncccn3)C1)C2 ZINC001169102227 836133395 /nfs/dbraw/zinc/13/33/95/836133395.db2.gz YDGQCXMVWKLZDB-DEZZGGKRSA-N 2 2 273.384 0.880 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CN(c3ncccn3)C1)C2 ZINC001169102227 836133400 /nfs/dbraw/zinc/13/34/00/836133400.db2.gz YDGQCXMVWKLZDB-DEZZGGKRSA-N 2 2 273.384 0.880 20 0 CCADLP CCOCC[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169228637 836163730 /nfs/dbraw/zinc/16/37/30/836163730.db2.gz NLPDIKHMDIQWJM-UHFFFAOYSA-N 2 2 254.334 0.085 20 0 CCADLP CC(=O)N1CC[C@H](n2c(C)[nH+]c3c2CC[NH2+]CC3)C1 ZINC001169536256 836333816 /nfs/dbraw/zinc/33/38/16/836333816.db2.gz CQYFDESZCQIXMK-LBPRGKRZSA-N 2 2 262.357 0.673 20 0 CCADLP CCc1noc(C[NH2+]CCNC(=O)C2([NH+](C)C)CCC2)n1 ZINC001129356110 836510207 /nfs/dbraw/zinc/51/02/07/836510207.db2.gz BLCMBLIVVRUXOA-UHFFFAOYSA-N 2 2 295.387 0.322 20 0 CCADLP Cc1nc(NCCCN(C)C(=O)CC[NH+](C)C)cc[nH+]1 ZINC001109616522 836706347 /nfs/dbraw/zinc/70/63/47/836706347.db2.gz GEQZTDZRCZCGPP-UHFFFAOYSA-N 2 2 279.388 0.997 20 0 CCADLP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCF ZINC001109847716 836737297 /nfs/dbraw/zinc/73/72/97/836737297.db2.gz DHIMKMNBANGVQB-RDBSUJKOSA-N 2 2 299.390 0.400 20 0 CCADLP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCF ZINC001109847716 836737302 /nfs/dbraw/zinc/73/73/02/836737302.db2.gz DHIMKMNBANGVQB-RDBSUJKOSA-N 2 2 299.390 0.400 20 0 CCADLP CN(c1cc(N2CCOCC2)[nH+]cn1)[C@]1(C)CCC[NH2+]C1 ZINC001156957502 836747750 /nfs/dbraw/zinc/74/77/50/836747750.db2.gz WAACGXRCWSWFLM-OAHLLOKOSA-N 2 2 291.399 0.892 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@H](O)C1 ZINC001100138697 836774517 /nfs/dbraw/zinc/77/45/17/836774517.db2.gz KRCYKJXKSSTWHR-UONOGXRCSA-N 2 2 294.399 0.625 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@H](O)C1 ZINC001100138697 836774525 /nfs/dbraw/zinc/77/45/25/836774525.db2.gz KRCYKJXKSSTWHR-UONOGXRCSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@@H](O)CCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001113019274 837000799 /nfs/dbraw/zinc/00/07/99/837000799.db2.gz LVODNBJLOUXNKZ-CABCVRRESA-N 2 2 297.443 0.776 20 0 CCADLP C[C@@H](O)CCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001113019274 837000811 /nfs/dbraw/zinc/00/08/11/837000811.db2.gz LVODNBJLOUXNKZ-CABCVRRESA-N 2 2 297.443 0.776 20 0 CCADLP CN(C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)[C@H]1CC[C@H](O)CC1 ZINC001157989734 837845323 /nfs/dbraw/zinc/84/53/23/837845323.db2.gz RGVQAFFVTJNNJC-SRVKXCTJSA-N 2 2 266.345 0.041 20 0 CCADLP O=C(NCC[NH2+]Cc1ccon1)c1ccn2c[nH+]cc2c1 ZINC001130867553 837946852 /nfs/dbraw/zinc/94/68/52/837946852.db2.gz JVIFZTGKZRSLNF-UHFFFAOYSA-N 2 2 285.307 0.842 20 0 CCADLP COC(=O)c1ccc(C)nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158202923 837976796 /nfs/dbraw/zinc/97/67/96/837976796.db2.gz ACQQXYKWWFGISP-SNVBAGLBSA-N 2 2 290.323 0.224 20 0 CCADLP CSc1cc(C)nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158204675 837982061 /nfs/dbraw/zinc/98/20/61/837982061.db2.gz TWGCWOUHOVQCDG-SECBINFHSA-N 2 2 279.369 0.555 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Nc2[nH+]ccc3[nH]ccc32)C[NH2+]1 ZINC001158254950 838009281 /nfs/dbraw/zinc/00/92/81/838009281.db2.gz ZYGXYZDXVCHPLX-KCJUWKMLSA-N 2 2 260.297 0.878 20 0 CCADLP COC[C@@H](C)[NH2+]CCNC(=O)c1cccc2[nH+]ccn21 ZINC001131273401 838028218 /nfs/dbraw/zinc/02/82/18/838028218.db2.gz KCWCWIMQDHXCDL-LLVKDONJSA-N 2 2 276.340 0.689 20 0 CCADLP CCn1ccnc1C[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131377147 838073662 /nfs/dbraw/zinc/07/36/62/838073662.db2.gz IXCOYTVQWZFPDC-UHFFFAOYSA-N 2 2 290.371 0.314 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001131387544 838080090 /nfs/dbraw/zinc/08/00/90/838080090.db2.gz UJVCGNFPSOLRPM-JTQLQIEISA-N 2 2 292.343 0.350 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+][C@H](C)c1nnc(C)o1 ZINC001131387545 838082178 /nfs/dbraw/zinc/08/21/78/838082178.db2.gz UJVCGNFPSOLRPM-SNVBAGLBSA-N 2 2 292.343 0.350 20 0 CCADLP C[C@H](Nc1ncnc2c1C[N@H+](C)CC2)[C@H]1C[NH2+]CCO1 ZINC001170572584 838151542 /nfs/dbraw/zinc/15/15/42/838151542.db2.gz QYPATYLNQDOXJK-GXFFZTMASA-N 2 2 277.372 0.253 20 0 CCADLP C[C@H](Nc1ncnc2c1C[N@@H+](C)CC2)[C@H]1C[NH2+]CCO1 ZINC001170572584 838151546 /nfs/dbraw/zinc/15/15/46/838151546.db2.gz QYPATYLNQDOXJK-GXFFZTMASA-N 2 2 277.372 0.253 20 0 CCADLP O=C(NCC[NH2+]CC1CC1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001131822463 838231148 /nfs/dbraw/zinc/23/11/48/838231148.db2.gz OGUFXRBFOVZGHD-HNNXBMFYSA-N 2 2 295.427 0.603 20 0 CCADLP O=C(NCC[NH2+]CC1CC1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001131822463 838231157 /nfs/dbraw/zinc/23/11/57/838231157.db2.gz OGUFXRBFOVZGHD-HNNXBMFYSA-N 2 2 295.427 0.603 20 0 CCADLP CC(C)C[NH2+]CCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001131826237 838234517 /nfs/dbraw/zinc/23/45/17/838234517.db2.gz ZQKHMERCMSFJSW-HNNXBMFYSA-N 2 2 297.443 0.849 20 0 CCADLP CC(C)C[NH2+]CCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001131826237 838234524 /nfs/dbraw/zinc/23/45/24/838234524.db2.gz ZQKHMERCMSFJSW-HNNXBMFYSA-N 2 2 297.443 0.849 20 0 CCADLP C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1C[NH2+]CCO ZINC001184901756 844307279 /nfs/dbraw/zinc/30/72/79/844307279.db2.gz FAMKTTGOJSKZIJ-KBPBESRZSA-N 2 2 294.399 0.340 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]Cc1cccnc1 ZINC001132079961 838312329 /nfs/dbraw/zinc/31/23/29/838312329.db2.gz UWEKENPEUPXZFW-UHFFFAOYSA-N 2 2 273.340 0.574 20 0 CCADLP Cc1nccnc1C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132081698 838312810 /nfs/dbraw/zinc/31/28/10/838312810.db2.gz DHNQSANZKYMGPT-UHFFFAOYSA-N 2 2 288.355 0.278 20 0 CCADLP Cc1ncc(C[NH2+]CCNC(=O)CCn2cc[nH+]c2)o1 ZINC001132082849 838314934 /nfs/dbraw/zinc/31/49/34/838314934.db2.gz XIJLOXPJZNJENX-UHFFFAOYSA-N 2 2 277.328 0.476 20 0 CCADLP CC[C@H](C[NH2+]CCNC(=O)CCn1cc[nH+]c1)OC ZINC001132082358 838314946 /nfs/dbraw/zinc/31/49/46/838314946.db2.gz MASLZMWFVZLTMR-GFCCVEGCSA-N 2 2 268.361 0.404 20 0 CCADLP COCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001132222238 838340308 /nfs/dbraw/zinc/34/03/08/838340308.db2.gz VOQUVUNXRWHOHT-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP COCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001132222238 838340311 /nfs/dbraw/zinc/34/03/11/838340311.db2.gz VOQUVUNXRWHOHT-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP Cc1nc(-n2cncn2)cc(N2CCC[C@](C)(C[NH3+])C2)[nH+]1 ZINC001158685057 838466425 /nfs/dbraw/zinc/46/64/25/838466425.db2.gz UPFBUWVVUPHORR-CQSZACIVSA-N 2 2 287.371 0.931 20 0 CCADLP CC(C)C[NH2+]CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001132784077 838494190 /nfs/dbraw/zinc/49/41/90/838494190.db2.gz HDTPEJUDIQZWRG-OAHLLOKOSA-N 2 2 297.443 0.992 20 0 CCADLP CC(C)C[NH2+]CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001132784077 838494192 /nfs/dbraw/zinc/49/41/92/838494192.db2.gz HDTPEJUDIQZWRG-OAHLLOKOSA-N 2 2 297.443 0.992 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)CCC[NH+](C)C)o1 ZINC001133040404 838538307 /nfs/dbraw/zinc/53/83/07/838538307.db2.gz PJYLFNYJNNYTHV-UHFFFAOYSA-N 2 2 283.376 0.180 20 0 CCADLP COCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001133354092 838609207 /nfs/dbraw/zinc/60/92/07/838609207.db2.gz MTODQMXXLHSPMB-ZIAGYGMSSA-N 2 2 294.399 0.604 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C)o1 ZINC001133433805 838635574 /nfs/dbraw/zinc/63/55/74/838635574.db2.gz BUEFOVXCUJWTQH-CMPLNLGQSA-N 2 2 297.403 0.731 20 0 CCADLP COc1cc(C[NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)ccn1 ZINC001134407076 838961703 /nfs/dbraw/zinc/96/17/03/838961703.db2.gz PPJDGRUAHOAGKB-UHFFFAOYSA-N 2 2 289.339 0.262 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001185258094 844384773 /nfs/dbraw/zinc/38/47/73/844384773.db2.gz PVHMXQGJTZJSAZ-OLZOCXBDSA-N 2 2 291.399 0.362 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001185258094 844384780 /nfs/dbraw/zinc/38/47/80/844384780.db2.gz PVHMXQGJTZJSAZ-OLZOCXBDSA-N 2 2 291.399 0.362 20 0 CCADLP CCN(C)C(=O)C[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001134494889 838993338 /nfs/dbraw/zinc/99/33/38/838993338.db2.gz JSRLPFFOUVDXEY-LBPRGKRZSA-N 2 2 295.387 0.018 20 0 CCADLP C[C@@H](CC(=O)NCC[NH2+]C[C@H]1CCCOC1)n1cc[nH+]c1 ZINC001134498931 838994001 /nfs/dbraw/zinc/99/40/01/838994001.db2.gz RYGJIWMUENBEGO-UONOGXRCSA-N 2 2 294.399 0.967 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@H]1Nc1cc(N2CCCC2)[nH+]cn1 ZINC001170773916 839083577 /nfs/dbraw/zinc/08/35/77/839083577.db2.gz KICQEQFYSOXYCL-WDEREUQCSA-N 2 2 263.345 0.069 20 0 CCADLP COC[C@H](C)[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001135072517 839151752 /nfs/dbraw/zinc/15/17/52/839151752.db2.gz YXQONPXALFFAHW-QWRGUYRKSA-N 2 2 268.361 0.329 20 0 CCADLP COC[C@H](C)[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001135072517 839151753 /nfs/dbraw/zinc/15/17/53/839151753.db2.gz YXQONPXALFFAHW-QWRGUYRKSA-N 2 2 268.361 0.329 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CCC[C@H](C)O ZINC001135080284 839155561 /nfs/dbraw/zinc/15/55/61/839155561.db2.gz PISVYSBVFPQKDZ-NEPJUHHUSA-N 2 2 282.388 0.455 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]CCC[C@H](C)O ZINC001135080284 839155566 /nfs/dbraw/zinc/15/55/66/839155566.db2.gz PISVYSBVFPQKDZ-NEPJUHHUSA-N 2 2 282.388 0.455 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)C[NH+](CC)CC)o1 ZINC001135511219 839277562 /nfs/dbraw/zinc/27/75/62/839277562.db2.gz MMIBVRVAVVCZRP-UHFFFAOYSA-N 2 2 283.376 0.180 20 0 CCADLP CCN(CC)c1cc(N[C@@H]2C[NH2+]C[C@H]2CO)nc[nH+]1 ZINC001159679355 839508716 /nfs/dbraw/zinc/50/87/16/839508716.db2.gz SXRJMYIHTWHCNZ-WDEREUQCSA-N 2 2 265.361 0.315 20 0 CCADLP O[C@H](C[NH2+]C[C@H]1CCC[NH2+]1)COc1ccccc1 ZINC001245979446 839577858 /nfs/dbraw/zinc/57/78/58/839577858.db2.gz AESAIGZQIWXGIO-CHWSQXEVSA-N 2 2 250.342 0.768 20 0 CCADLP CCCOC[C@@H](O)C[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246036256 839586785 /nfs/dbraw/zinc/58/67/85/839586785.db2.gz TXEQWFLKSVXEJX-UONOGXRCSA-N 2 2 256.390 0.992 20 0 CCADLP CCCOC[C@@H](O)C[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246036256 839586789 /nfs/dbraw/zinc/58/67/89/839586789.db2.gz TXEQWFLKSVXEJX-UONOGXRCSA-N 2 2 256.390 0.992 20 0 CCADLP CS(=O)(=O)C1CCC([NH2+][C@@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001246088456 839601688 /nfs/dbraw/zinc/60/16/88/839601688.db2.gz UQWKUXBRUGDTFK-KIDURHIOSA-N 2 2 278.393 0.632 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]C2)CCN1 ZINC001246119104 839628457 /nfs/dbraw/zinc/62/84/57/839628457.db2.gz BJYACCSMWGTXEW-WOPDTQHZSA-N 2 2 255.362 0.012 20 0 CCADLP CC(C)C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001090599438 839665037 /nfs/dbraw/zinc/66/50/37/839665037.db2.gz FWVSAIYVVKQQRR-OLZOCXBDSA-N 2 2 280.372 0.160 20 0 CCADLP CC(C)C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001090599438 839665041 /nfs/dbraw/zinc/66/50/41/839665041.db2.gz FWVSAIYVVKQQRR-OLZOCXBDSA-N 2 2 280.372 0.160 20 0 CCADLP c1ccc2c(c1)C[C@H]([NH2+]C[C@H]1C[NH2+]CCN1)CS2 ZINC001246490221 839870724 /nfs/dbraw/zinc/87/07/24/839870724.db2.gz OZEUXFNORXDAMZ-QWHCGFSZSA-N 2 2 263.410 0.854 20 0 CCADLP O=C(C[N@H+]1CC[C@H](O)C1)Nc1ccnn1-c1cc[nH+]cc1 ZINC001186034579 844487907 /nfs/dbraw/zinc/48/79/07/844487907.db2.gz BBTCBLGLHUPTRX-LBPRGKRZSA-N 2 2 287.323 0.272 20 0 CCADLP O=C(C[N@@H+]1CC[C@H](O)C1)Nc1ccnn1-c1cc[nH+]cc1 ZINC001186034579 844487909 /nfs/dbraw/zinc/48/79/09/844487909.db2.gz BBTCBLGLHUPTRX-LBPRGKRZSA-N 2 2 287.323 0.272 20 0 CCADLP Cc1nc(N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)cc[nH+]1 ZINC001091019998 839985558 /nfs/dbraw/zinc/98/55/58/839985558.db2.gz LGJSDGCDSXHXMK-DGCLKSJQSA-N 2 2 291.399 0.996 20 0 CCADLP [NH3+][C@@H]1NC(CN2C[C@@H]([NH3+])CC(F)(F)C2)=CS1 ZINC001206117601 839985822 /nfs/dbraw/zinc/98/58/22/839985822.db2.gz ROBHPJLAFGFDCJ-POYBYMJQSA-N 2 2 250.318 0.075 20 0 CCADLP CCOC(=O)C[NH+]1CCC(N2C[C@H](F)C[C@H]([NH3+])C2)CC1 ZINC001246575442 840086483 /nfs/dbraw/zinc/08/64/83/840086483.db2.gz MMGDLZUPOLENFO-NEPJUHHUSA-N 2 2 287.379 0.385 20 0 CCADLP CN(CC[NH+]1CCCC1)C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001160689058 840124128 /nfs/dbraw/zinc/12/41/28/840124128.db2.gz TZWHTJLMODCPEW-OAHLLOKOSA-N 3 2 290.411 0.813 20 0 CCADLP O=C(C[N@H+]1CC[C@@H](O)C1)NCc1[nH+]cn2ccccc12 ZINC001186058028 844506334 /nfs/dbraw/zinc/50/63/34/844506334.db2.gz PGZXVPAOJYXODE-LLVKDONJSA-N 2 2 274.324 0.017 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H](O)C1)NCc1[nH+]cn2ccccc12 ZINC001186058028 844506344 /nfs/dbraw/zinc/50/63/44/844506344.db2.gz PGZXVPAOJYXODE-LLVKDONJSA-N 2 2 274.324 0.017 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1CC([NH2+]CCO)C1 ZINC001091239824 840152207 /nfs/dbraw/zinc/15/22/07/840152207.db2.gz MMOPFGPWYJPOMY-FIYWTHMPSA-N 2 2 292.383 0.000 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCN(CCC[NH+](C)C)CC2)CC[NH2+]1 ZINC001246823939 840265179 /nfs/dbraw/zinc/26/51/79/840265179.db2.gz HVDAKAPQDMJNIV-CABCVRRESA-N 3 2 268.449 0.696 20 0 CCADLP C[C@H](C[C@H](C)NC(=O)Cn1cc[nH+]c1)[NH2+]CCF ZINC001146758197 840369995 /nfs/dbraw/zinc/36/99/95/840369995.db2.gz RTCBYXTWUAEACB-MNOVXSKESA-N 2 2 256.325 0.726 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH+](C)C1 ZINC001186364886 844543472 /nfs/dbraw/zinc/54/34/72/844543472.db2.gz VJUOWLXEDNTDIF-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCC[NH+](C)C1 ZINC001186364886 844543475 /nfs/dbraw/zinc/54/34/75/844543475.db2.gz VJUOWLXEDNTDIF-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@H]1CCC[N@H+](C)C1 ZINC001186364886 844543478 /nfs/dbraw/zinc/54/34/78/844543478.db2.gz VJUOWLXEDNTDIF-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@H]1CCC[N@@H+](C)C1 ZINC001186364886 844543482 /nfs/dbraw/zinc/54/34/82/844543482.db2.gz VJUOWLXEDNTDIF-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]Cc2nc(C)no2)C1 ZINC001186452150 844550146 /nfs/dbraw/zinc/55/01/46/844550146.db2.gz LEPITWPWVUPVET-GFCCVEGCSA-N 2 2 295.387 0.410 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CCCCCF ZINC001147871554 840707738 /nfs/dbraw/zinc/70/77/38/840707738.db2.gz BKWWCGKMFPUILU-UHFFFAOYSA-N 2 2 270.352 0.808 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CC[C@@H]1CCOC1 ZINC001147871801 840708774 /nfs/dbraw/zinc/70/87/74/840708774.db2.gz MLFAWKLVPBBUIA-GFCCVEGCSA-N 2 2 280.372 0.095 20 0 CCADLP CCC[N@H+](C)CCC(=O)NCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001148577926 840845604 /nfs/dbraw/zinc/84/56/04/840845604.db2.gz JXCSTFMNIIPQCK-NSHDSACASA-N 2 2 297.403 0.877 20 0 CCADLP CCC[N@@H+](C)CCC(=O)NCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001148577926 840845614 /nfs/dbraw/zinc/84/56/14/840845614.db2.gz JXCSTFMNIIPQCK-NSHDSACASA-N 2 2 297.403 0.877 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1csnn1 ZINC001148642871 840864300 /nfs/dbraw/zinc/86/43/00/840864300.db2.gz OTQFQYDHOGZKEQ-JTQLQIEISA-N 2 2 285.417 0.647 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1csnn1 ZINC001148642871 840864307 /nfs/dbraw/zinc/86/43/07/840864307.db2.gz OTQFQYDHOGZKEQ-JTQLQIEISA-N 2 2 285.417 0.647 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1nnc(C(C)C)[nH]1 ZINC001148638519 840872787 /nfs/dbraw/zinc/87/27/87/840872787.db2.gz JTCBBFKPKKTKIJ-UHFFFAOYSA-N 2 2 296.419 0.476 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1nnc(C(C)C)[nH]1 ZINC001148638519 840872794 /nfs/dbraw/zinc/87/27/94/840872794.db2.gz JTCBBFKPKKTKIJ-UHFFFAOYSA-N 2 2 296.419 0.476 20 0 CCADLP Cn1c[nH+]cc1CN1C(=O)C[C@@]2(CCC[N@H+](C)C2)C1=O ZINC001273525518 844591143 /nfs/dbraw/zinc/59/11/43/844591143.db2.gz UNLPPOSPEHVSKV-CQSZACIVSA-N 2 2 276.340 0.391 20 0 CCADLP Cn1c[nH+]cc1CN1C(=O)C[C@@]2(CCC[N@@H+](C)C2)C1=O ZINC001273525518 844591148 /nfs/dbraw/zinc/59/11/48/844591148.db2.gz UNLPPOSPEHVSKV-CQSZACIVSA-N 2 2 276.340 0.391 20 0 CCADLP CC[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001092050543 840985140 /nfs/dbraw/zinc/98/51/40/840985140.db2.gz XBKYZSQGXUIESB-RISCZKNCSA-N 2 2 262.357 0.752 20 0 CCADLP CC[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001092050543 840985146 /nfs/dbraw/zinc/98/51/46/840985146.db2.gz XBKYZSQGXUIESB-RISCZKNCSA-N 2 2 262.357 0.752 20 0 CCADLP CC[NH+](CC)C[C@H](F)C(=O)NCCNc1cc[nH+]c(C)n1 ZINC001093908855 841483567 /nfs/dbraw/zinc/48/35/67/841483567.db2.gz ABMJACUOWISWSK-LBPRGKRZSA-N 2 2 297.378 0.993 20 0 CCADLP C[C@H]([NH2+][C@@H]1CC(=O)N(CC2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000716782729 841679680 /nfs/dbraw/zinc/67/96/80/841679680.db2.gz XAHZSONWJJRGHK-CYZMBNFOSA-N 2 2 251.374 0.727 20 0 CCADLP CCC[N@H+](C)CC(=O)NCCC[NH2+][C@@H](C)c1noc(C)n1 ZINC001171762557 841761816 /nfs/dbraw/zinc/76/18/16/841761816.db2.gz FRBCUFRYJIVYFZ-NSHDSACASA-N 2 2 297.403 0.877 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCCC[NH2+][C@@H](C)c1noc(C)n1 ZINC001171762557 841761821 /nfs/dbraw/zinc/76/18/21/841761821.db2.gz FRBCUFRYJIVYFZ-NSHDSACASA-N 2 2 297.403 0.877 20 0 CCADLP CCN1CC[C@@H](n2c[nH+]c(C)c2CC[NH3+])CC1=O ZINC001172028755 841807489 /nfs/dbraw/zinc/80/74/89/841807489.db2.gz MKJJWUZNJJPEJD-LLVKDONJSA-N 2 2 250.346 0.876 20 0 CCADLP CCN1CC[C@H]([NH2+][C@@]2(C[NH3+])CN3CCC2CC3)CC1=O ZINC001172034524 841812888 /nfs/dbraw/zinc/81/28/88/841812888.db2.gz DGTKOEBULNNRCJ-ZFWWWQNUSA-N 2 2 280.416 0.010 20 0 CCADLP CN1[C@H]2COC[C@@H]1CC([N@@H+]1C[C@H]3CCC[NH+](C)[C@H]3C1)C2 ZINC001172140737 841845473 /nfs/dbraw/zinc/84/54/73/841845473.db2.gz KGXAAAFWAKOTAX-SDKNFDLMSA-N 2 2 279.428 0.874 20 0 CCADLP CN1[C@H]2COC[C@@H]1CC([N@H+]1C[C@H]3CCC[NH+](C)[C@H]3C1)C2 ZINC001172140737 841845479 /nfs/dbraw/zinc/84/54/79/841845479.db2.gz KGXAAAFWAKOTAX-SDKNFDLMSA-N 2 2 279.428 0.874 20 0 CCADLP CN1[C@H]2COC[C@@H]1CC([NH+]1C[C@H]3CCC[N@H+](C)[C@H]3C1)C2 ZINC001172140737 841845485 /nfs/dbraw/zinc/84/54/85/841845485.db2.gz KGXAAAFWAKOTAX-SDKNFDLMSA-N 2 2 279.428 0.874 20 0 CCADLP CN1[C@H]2COC[C@@H]1CC([NH+]1C[C@H]3CCC[N@@H+](C)[C@H]3C1)C2 ZINC001172140737 841845494 /nfs/dbraw/zinc/84/54/94/841845494.db2.gz KGXAAAFWAKOTAX-SDKNFDLMSA-N 2 2 279.428 0.874 20 0 CCADLP COC(=O)[C@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCO1 ZINC001172119995 841852013 /nfs/dbraw/zinc/85/20/13/841852013.db2.gz IGBXCCQBBNDVJL-XJFOESAGSA-N 2 2 282.384 0.876 20 0 CCADLP COC(=O)[C@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCO1 ZINC001172119995 841852017 /nfs/dbraw/zinc/85/20/17/841852017.db2.gz IGBXCCQBBNDVJL-XJFOESAGSA-N 2 2 282.384 0.876 20 0 CCADLP COC(=O)[C@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCO1 ZINC001172119995 841852021 /nfs/dbraw/zinc/85/20/21/841852021.db2.gz IGBXCCQBBNDVJL-XJFOESAGSA-N 2 2 282.384 0.876 20 0 CCADLP COC(=O)[C@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCO1 ZINC001172119995 841852023 /nfs/dbraw/zinc/85/20/23/841852023.db2.gz IGBXCCQBBNDVJL-XJFOESAGSA-N 2 2 282.384 0.876 20 0 CCADLP CCOCC[C@@H](C)[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001172423583 841925901 /nfs/dbraw/zinc/92/59/01/841925901.db2.gz JOIFZGZDPQXGMR-MRXNPFEDSA-N 2 2 299.459 0.751 20 0 CCADLP CC(C)OCC[C@H](C)NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001172449067 841930979 /nfs/dbraw/zinc/93/09/79/841930979.db2.gz PGTMEBSOXDLSLG-LBPRGKRZSA-N 2 2 256.394 0.962 20 0 CCADLP COC(=O)[C@H]1CCC[C@H]([NH2+][C@@H]2COC[C@H]2[NH3+])CC1 ZINC001172773253 841973320 /nfs/dbraw/zinc/97/33/20/841973320.db2.gz RNZQJBGWILIHOH-NNYUYHANSA-N 2 2 256.346 0.424 20 0 CCADLP CC(C)(C)OC(=O)C[NH+]1CCC(N2CC(C)([NH3+])C2)CC1 ZINC001172890657 841983357 /nfs/dbraw/zinc/98/33/57/841983357.db2.gz VHGIWCWFGPIGCR-UHFFFAOYSA-N 2 2 283.416 0.826 20 0 CCADLP C[C@H](CCN(C)C(=O)OC(C)(C)C)[NH2+][C@@H]1COC[C@H]1[NH3+] ZINC001172952797 841990733 /nfs/dbraw/zinc/99/07/33/841990733.db2.gz HOWQSHPGCNQYCV-IJLUTSLNSA-N 2 2 287.404 0.948 20 0 CCADLP CC[N@@H+]1CC[C@H](n2cnc(C[C@@H]([NH3+])C(=O)OC)c2)C1 ZINC001173356740 842055863 /nfs/dbraw/zinc/05/58/63/842055863.db2.gz KDKLOZLLEWAGLL-NWDGAFQWSA-N 2 2 266.345 0.193 20 0 CCADLP CC[N@H+]1CC[C@H](n2cnc(C[C@@H]([NH3+])C(=O)OC)c2)C1 ZINC001173356740 842055870 /nfs/dbraw/zinc/05/58/70/842055870.db2.gz KDKLOZLLEWAGLL-NWDGAFQWSA-N 2 2 266.345 0.193 20 0 CCADLP CC[N@@H+]1CC[C@H](N2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC001173364382 842064154 /nfs/dbraw/zinc/06/41/54/842064154.db2.gz VPUFDPVVBLIROG-INIZCTEOSA-N 2 2 296.459 0.030 20 0 CCADLP CC[N@H+]1CC[C@H](N2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC001173364382 842064168 /nfs/dbraw/zinc/06/41/68/842064168.db2.gz VPUFDPVVBLIROG-INIZCTEOSA-N 2 2 296.459 0.030 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([NH2+]CCn2cc[nH+]c2)C[C@@H]1C(=O)OC ZINC001173563114 842100437 /nfs/dbraw/zinc/10/04/37/842100437.db2.gz WPDPYRXQPXLYNW-ZSBIGDGJSA-N 2 2 295.339 0.214 20 0 CCADLP c1cn(CC[NH2+][C@@H]2CCC[C@H](n3ncnn3)C2)c[nH+]1 ZINC001173727981 842159520 /nfs/dbraw/zinc/15/95/20/842159520.db2.gz DZFJYJFGDUMTRN-NEPJUHHUSA-N 2 2 261.333 0.643 20 0 CCADLP c1cn(CC[NH2+][C@H]2CCC[C@H](n3ncnn3)C2)c[nH+]1 ZINC001173727986 842159899 /nfs/dbraw/zinc/15/98/99/842159899.db2.gz DZFJYJFGDUMTRN-RYUDHWBXSA-N 2 2 261.333 0.643 20 0 CCADLP C[C@@H](CCCC[NH2+]CC(N)=O)NC(=O)CCn1cc[nH+]c1 ZINC001174581198 842191030 /nfs/dbraw/zinc/19/10/30/842191030.db2.gz PJZCEMYZZUNXAT-LBPRGKRZSA-N 2 2 295.387 0.023 20 0 CCADLP Cc1nc([C@@H](C)[NH2+]CCCNC(=O)C[NH+]2CCCC2)no1 ZINC001176110355 842328626 /nfs/dbraw/zinc/32/86/26/842328626.db2.gz MMEIDPDNSAQNNK-LLVKDONJSA-N 2 2 295.387 0.631 20 0 CCADLP C[C@@H](O)C[NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001176174277 842333399 /nfs/dbraw/zinc/33/33/99/842333399.db2.gz FCSKCTQRZHNPAW-QWHCGFSZSA-N 2 2 296.415 0.608 20 0 CCADLP C[C@H](CCCC[NH2+]CCO)NC(=O)Cc1c[nH+]cn1C ZINC001176175875 842334379 /nfs/dbraw/zinc/33/43/79/842334379.db2.gz RHUOJWXIYYKJMX-GFCCVEGCSA-N 2 2 282.388 0.220 20 0 CCADLP O=C(NCCC[NH2+]CC1CC1)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001176674969 842399026 /nfs/dbraw/zinc/39/90/26/842399026.db2.gz BCOLXFQBTSSUQA-HNNXBMFYSA-N 2 2 295.427 0.603 20 0 CCADLP COCCC[NH+]1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001176836708 842421163 /nfs/dbraw/zinc/42/11/63/842421163.db2.gz OXFFLFFYRZUOFQ-UHFFFAOYSA-N 2 2 280.372 0.569 20 0 CCADLP CCc1noc(C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)n1 ZINC001177404658 842578977 /nfs/dbraw/zinc/57/89/77/842578977.db2.gz FSMBEGPUROTHIA-UHFFFAOYSA-N 2 2 292.343 0.125 20 0 CCADLP COC[C@@H](C)[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177415174 842587740 /nfs/dbraw/zinc/58/77/40/842587740.db2.gz PRALUSZURWVKQC-LLVKDONJSA-N 2 2 254.334 0.014 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001177998657 842721140 /nfs/dbraw/zinc/72/11/40/842721140.db2.gz XXHQSKPPQHWBLV-LLVKDONJSA-N 2 2 250.346 0.943 20 0 CCADLP C[N@H+]1CCC[C@@H]1CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001177998657 842721150 /nfs/dbraw/zinc/72/11/50/842721150.db2.gz XXHQSKPPQHWBLV-LLVKDONJSA-N 2 2 250.346 0.943 20 0 CCADLP [NH3+]CCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)c1cccnc1 ZINC001178119818 842762854 /nfs/dbraw/zinc/76/28/54/842762854.db2.gz WYABDCNYPVNBIX-GFCCVEGCSA-N 2 2 285.351 0.832 20 0 CCADLP C[C@@H](O)CCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001179617445 843027306 /nfs/dbraw/zinc/02/73/06/843027306.db2.gz GIWDFQDDZRUEKT-DYEKYZERSA-N 2 2 294.399 0.692 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](C(=O)N2CCc3[nH+]ccn3CC2)C1 ZINC001181979772 843657728 /nfs/dbraw/zinc/65/77/28/843657728.db2.gz YQTJJDDMQKJVRX-ZDUSSCGKSA-N 2 2 276.384 0.998 20 0 CCADLP CC(C)[N@H+]1CC[C@H](C(=O)N2CCc3[nH+]ccn3CC2)C1 ZINC001181979772 843657731 /nfs/dbraw/zinc/65/77/31/843657731.db2.gz YQTJJDDMQKJVRX-ZDUSSCGKSA-N 2 2 276.384 0.998 20 0 CCADLP C[NH+]1CCC(C)(C(=O)NCC2([NH+]3CCCC3)COC2)CC1 ZINC001181990061 843664301 /nfs/dbraw/zinc/66/43/01/843664301.db2.gz JNTZOKGQVWFRBX-UHFFFAOYSA-N 2 2 295.427 0.699 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001182220660 843756199 /nfs/dbraw/zinc/75/61/99/843756199.db2.gz OMFLQURZRILCGU-VXGBXAGGSA-N 2 2 280.372 0.568 20 0 CCADLP Cc1nnsc1C[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151114283 843761799 /nfs/dbraw/zinc/76/17/99/843761799.db2.gz IQMFEZOHABKCJH-UHFFFAOYSA-N 2 2 294.384 0.257 20 0 CCADLP COc1cc(F)c(C)cc1C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206541722 843920084 /nfs/dbraw/zinc/92/00/84/843920084.db2.gz IIHDCHZNOJHUIE-AAEUAGOBSA-N 2 2 268.332 0.894 20 0 CCADLP COc1cc(F)c(C)cc1C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206541722 843920086 /nfs/dbraw/zinc/92/00/86/843920086.db2.gz IIHDCHZNOJHUIE-AAEUAGOBSA-N 2 2 268.332 0.894 20 0 CCADLP CC[C@@H](C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1)OC ZINC001187092569 844649568 /nfs/dbraw/zinc/64/95/68/844649568.db2.gz WYWZTHOMSLUMQG-OCCSQVGLSA-N 2 2 294.399 0.578 20 0 CCADLP COCCC[N@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001190546482 845424852 /nfs/dbraw/zinc/42/48/52/845424852.db2.gz JLAKYEPAUAAJQB-CQSZACIVSA-N 2 2 294.399 0.912 20 0 CCADLP COCCC[N@@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001190546482 845424858 /nfs/dbraw/zinc/42/48/58/845424858.db2.gz JLAKYEPAUAAJQB-CQSZACIVSA-N 2 2 294.399 0.912 20 0 CCADLP COCCC[N@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001190546482 845424863 /nfs/dbraw/zinc/42/48/63/845424863.db2.gz JLAKYEPAUAAJQB-CQSZACIVSA-N 2 2 294.399 0.912 20 0 CCADLP COCCC[N@@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001190546482 845424867 /nfs/dbraw/zinc/42/48/67/845424867.db2.gz JLAKYEPAUAAJQB-CQSZACIVSA-N 2 2 294.399 0.912 20 0 CCADLP C[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccon2)C1 ZINC001192152087 845795322 /nfs/dbraw/zinc/79/53/22/845795322.db2.gz DSUZQXKBNPOPFP-CYBMUJFWSA-N 2 2 280.372 0.659 20 0 CCADLP C[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccon2)C1 ZINC001192152087 845795325 /nfs/dbraw/zinc/79/53/25/845795325.db2.gz DSUZQXKBNPOPFP-CYBMUJFWSA-N 2 2 280.372 0.659 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1O ZINC001192580232 845878747 /nfs/dbraw/zinc/87/87/47/845878747.db2.gz ARNXMDWXKACVLW-CHWSQXEVSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1O ZINC001192580232 845878753 /nfs/dbraw/zinc/87/87/53/845878753.db2.gz ARNXMDWXKACVLW-CHWSQXEVSA-N 2 2 292.383 0.304 20 0 CCADLP CO[C@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193046918 845963261 /nfs/dbraw/zinc/96/32/61/845963261.db2.gz ADFQEIYMTFJSQD-VXGBXAGGSA-N 2 2 280.372 0.520 20 0 CCADLP CO[C@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193046918 845963265 /nfs/dbraw/zinc/96/32/65/845963265.db2.gz ADFQEIYMTFJSQD-VXGBXAGGSA-N 2 2 280.372 0.520 20 0 CCADLP C[N@H+](CCCF)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193047386 845964161 /nfs/dbraw/zinc/96/41/61/845964161.db2.gz FJRKHSAMBRDUEP-NSHDSACASA-N 2 2 268.336 0.845 20 0 CCADLP C[N@@H+](CCCF)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193047386 845964163 /nfs/dbraw/zinc/96/41/63/845964163.db2.gz FJRKHSAMBRDUEP-NSHDSACASA-N 2 2 268.336 0.845 20 0 CCADLP C[C@@H](F)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001193620342 846127042 /nfs/dbraw/zinc/12/70/42/846127042.db2.gz YIXLNHBYOGFHEP-RAIGVLPGSA-N 2 2 298.362 0.252 20 0 CCADLP C[C@@H](F)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001193620342 846127043 /nfs/dbraw/zinc/12/70/43/846127043.db2.gz YIXLNHBYOGFHEP-RAIGVLPGSA-N 2 2 298.362 0.252 20 0 CCADLP CC[C@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197058752 846834502 /nfs/dbraw/zinc/83/45/02/846834502.db2.gz YYZLIZIOCOGYOJ-YNEHKIRRSA-N 2 2 289.395 0.238 20 0 CCADLP CC[C@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197058752 846834510 /nfs/dbraw/zinc/83/45/10/846834510.db2.gz YYZLIZIOCOGYOJ-YNEHKIRRSA-N 2 2 289.395 0.238 20 0 CCADLP CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001199397791 847312816 /nfs/dbraw/zinc/31/28/16/847312816.db2.gz BYZCJTKNPICYSE-ZIAGYGMSSA-N 2 2 294.399 0.625 20 0 CCADLP CCOCC[NH2+]C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001200950302 847711632 /nfs/dbraw/zinc/71/16/32/847711632.db2.gz VIZRBXCXBYFMDL-UHFFFAOYSA-N 2 2 294.399 0.959 20 0 CCADLP CCOCC[NH2+]C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001200950302 847711635 /nfs/dbraw/zinc/71/16/35/847711635.db2.gz VIZRBXCXBYFMDL-UHFFFAOYSA-N 2 2 294.399 0.959 20 0 CCADLP OC[C@@H](O)C[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001252071386 847773710 /nfs/dbraw/zinc/77/37/10/847773710.db2.gz HNRFBTVKIBCXBC-ZDUSSCGKSA-N 2 2 265.357 0.241 20 0 CCADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000717300071 848223054 /nfs/dbraw/zinc/22/30/54/848223054.db2.gz ZBBFRZAUKBUZDB-STQMWFEESA-N 2 2 256.321 0.371 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000717298392 848225357 /nfs/dbraw/zinc/22/53/57/848225357.db2.gz TXBNRKLNUZPXBJ-OLZOCXBDSA-N 2 2 256.321 0.371 20 0 CCADLP C[C@H](O)[C@@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000717319725 848228166 /nfs/dbraw/zinc/22/81/66/848228166.db2.gz WLOXNOCSKCGXSF-FZMZJTMJSA-N 2 2 261.325 0.704 20 0 CCADLP Cc1cnc(C[NH2+]C/C=C\CNC(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001274578236 848510566 /nfs/dbraw/zinc/51/05/66/848510566.db2.gz GNLIBJJEIMTMEP-SCOBNMCVSA-N 2 2 292.383 0.697 20 0 CCADLP Cc1cnc(C[NH2+]C/C=C\CNC(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001274578236 848510573 /nfs/dbraw/zinc/51/05/73/848510573.db2.gz GNLIBJJEIMTMEP-SCOBNMCVSA-N 2 2 292.383 0.697 20 0 CCADLP CC[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001275084993 848632209 /nfs/dbraw/zinc/63/22/09/848632209.db2.gz KNXOHBORQJSCRP-CQSZACIVSA-N 2 2 253.390 0.882 20 0 CCADLP CC[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001275084993 848632216 /nfs/dbraw/zinc/63/22/16/848632216.db2.gz KNXOHBORQJSCRP-CQSZACIVSA-N 2 2 253.390 0.882 20 0 CCADLP CC[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001275084993 848632226 /nfs/dbraw/zinc/63/22/26/848632226.db2.gz KNXOHBORQJSCRP-CQSZACIVSA-N 2 2 253.390 0.882 20 0 CCADLP CC[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001275084993 848632234 /nfs/dbraw/zinc/63/22/34/848632234.db2.gz KNXOHBORQJSCRP-CQSZACIVSA-N 2 2 253.390 0.882 20 0 CCADLP Cc1cncc(C[NH+]2CC3(CN(CC[NH+](C)C)C3)C2)n1 ZINC001275223359 848671557 /nfs/dbraw/zinc/67/15/57/848671557.db2.gz KJTIWJDBGHPHPE-UHFFFAOYSA-N 2 2 275.400 0.464 20 0 CCADLP CC(C)OCC[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001275542996 848756254 /nfs/dbraw/zinc/75/62/54/848756254.db2.gz XZFIHVAPEABQOG-CHWSQXEVSA-N 2 2 296.415 0.870 20 0 CCADLP COCC[N@H+](C)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001275897438 848860476 /nfs/dbraw/zinc/86/04/76/848860476.db2.gz NWSDXXUSNLSUMI-GFCCVEGCSA-N 2 2 268.361 0.356 20 0 CCADLP COCC[N@@H+](C)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001275897438 848860481 /nfs/dbraw/zinc/86/04/81/848860481.db2.gz NWSDXXUSNLSUMI-GFCCVEGCSA-N 2 2 268.361 0.356 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@H+](C)CCCF ZINC001275944373 848871590 /nfs/dbraw/zinc/87/15/90/848871590.db2.gz FCUXHPQUJCZKEX-SNVBAGLBSA-N 2 2 256.325 0.748 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@@H+](C)CCCF ZINC001275944373 848871595 /nfs/dbraw/zinc/87/15/95/848871595.db2.gz FCUXHPQUJCZKEX-SNVBAGLBSA-N 2 2 256.325 0.748 20 0 CCADLP Cc1nc(N2CCC(NC(=O)CC[NH+](C)C)CC2)cc[nH+]1 ZINC001095445554 848919508 /nfs/dbraw/zinc/91/95/08/848919508.db2.gz ZYAQGDWNHNKKHR-UHFFFAOYSA-N 2 2 291.399 0.822 20 0 CCADLP Cc1cc(C[NH2+]CCCN(C)C(=O)Cc2c[nH+]c[nH]2)on1 ZINC001276245401 848970516 /nfs/dbraw/zinc/97/05/16/848970516.db2.gz IRUZMGYMXORXLK-UHFFFAOYSA-N 2 2 291.355 0.887 20 0 CCADLP CN1CC[NH+](CCCO[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001206595862 849174056 /nfs/dbraw/zinc/17/40/56/849174056.db2.gz JLQUKSLFZGXBNY-CQSZACIVSA-N 2 2 278.400 0.852 20 0 CCADLP COC(=O)CC[C@H](C)[NH2+][C@H](CCC[NH3+])C(=O)OC ZINC001258351251 849238537 /nfs/dbraw/zinc/23/85/37/849238537.db2.gz KXNKMFMNVSWJFR-VHSXEESVSA-N 2 2 260.334 0.198 20 0 CCADLP CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001037084487 849328239 /nfs/dbraw/zinc/32/82/39/849328239.db2.gz ADHKDFLQPATCJF-CMPLNLGQSA-N 2 2 250.346 0.847 20 0 CCADLP CC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1[NH2+]CCO ZINC001037855648 849599181 /nfs/dbraw/zinc/59/91/81/849599181.db2.gz WFVLZMGJZMMYOB-TZMCWYRMSA-N 2 2 294.399 0.551 20 0 CCADLP CC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1[NH2+]CCO ZINC001037855648 849599184 /nfs/dbraw/zinc/59/91/84/849599184.db2.gz WFVLZMGJZMMYOB-TZMCWYRMSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C(=O)N1CCCC1 ZINC000381080697 849708794 /nfs/dbraw/zinc/70/87/94/849708794.db2.gz UOERBZHAOIFWPR-BSCCGWMCSA-N 2 2 263.385 0.583 20 0 CCADLP CC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000723978925 850194013 /nfs/dbraw/zinc/19/40/13/850194013.db2.gz UQCJPTBFJTWGCG-KBPBESRZSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041714298 850489011 /nfs/dbraw/zinc/48/90/11/850489011.db2.gz PHUBEXGAQRYRCI-IUODEOHRSA-N 2 2 292.383 0.257 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041714298 850489013 /nfs/dbraw/zinc/48/90/13/850489013.db2.gz PHUBEXGAQRYRCI-IUODEOHRSA-N 2 2 292.383 0.257 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@]2(CC[N@H+](CCF)C2)C1 ZINC001041787451 850501900 /nfs/dbraw/zinc/50/19/00/850501900.db2.gz NZXGBLYSDQBXRP-HNNXBMFYSA-N 2 2 294.374 0.857 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@]2(CC[N@@H+](CCF)C2)C1 ZINC001041787451 850501914 /nfs/dbraw/zinc/50/19/14/850501914.db2.gz NZXGBLYSDQBXRP-HNNXBMFYSA-N 2 2 294.374 0.857 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001043198651 850833428 /nfs/dbraw/zinc/83/34/28/850833428.db2.gz XEODWRMNEBSSBA-OAHLLOKOSA-N 2 2 297.443 0.896 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001043198651 850833440 /nfs/dbraw/zinc/83/34/40/850833440.db2.gz XEODWRMNEBSSBA-OAHLLOKOSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@H]1CCC[N@@H+]1CC(=O)N(C)C1C[NH+](CCCF)C1 ZINC001043870032 850954900 /nfs/dbraw/zinc/95/49/00/850954900.db2.gz PZLSKXSGEURVQH-LBPRGKRZSA-N 2 2 271.380 0.973 20 0 CCADLP C[C@H]1CCC[N@H+]1CC(=O)N(C)C1C[NH+](CCCF)C1 ZINC001043870032 850954906 /nfs/dbraw/zinc/95/49/06/850954906.db2.gz PZLSKXSGEURVQH-LBPRGKRZSA-N 2 2 271.380 0.973 20 0 CCADLP COC[C@H](C)[NH+]1CC(N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001043875268 850955125 /nfs/dbraw/zinc/95/51/25/850955125.db2.gz KBXHBPXGRDLSAU-OLZOCXBDSA-N 2 2 283.416 0.648 20 0 CCADLP COC[C@H](C)[NH+]1CC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001043875268 850955131 /nfs/dbraw/zinc/95/51/31/850955131.db2.gz KBXHBPXGRDLSAU-OLZOCXBDSA-N 2 2 283.416 0.648 20 0 CCADLP CN(C(=O)C1CC[NH+](CC2CC2)CC1)C1C[NH+](CCO)C1 ZINC001044166368 851029598 /nfs/dbraw/zinc/02/95/98/851029598.db2.gz RGDGNELDSNNDGJ-UHFFFAOYSA-N 2 2 295.427 0.243 20 0 CCADLP CN(C(=O)C[NH+]1CCCC1)C1C[NH+](CCOC2CCC2)C1 ZINC001044295516 851067816 /nfs/dbraw/zinc/06/78/16/851067816.db2.gz USODHBVAHXDJED-UHFFFAOYSA-N 2 2 295.427 0.794 20 0 CCADLP CC[C@H](C[NH+]1CC(N(C)C(=O)Cn2cc[nH+]c2C)C1)OC ZINC001044295239 851068464 /nfs/dbraw/zinc/06/84/64/851068464.db2.gz FPHMCZWWUVHQIP-CQSZACIVSA-N 2 2 294.399 0.759 20 0 CCADLP CO[C@H](C)C[NH+]1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001044294563 851068845 /nfs/dbraw/zinc/06/88/45/851068845.db2.gz DWRYTWSDPZXDGV-GFCCVEGCSA-N 2 2 269.389 0.260 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)C2C[NH+](CCC(C)C)C2)C1 ZINC001044320638 851075414 /nfs/dbraw/zinc/07/54/14/851075414.db2.gz NKLWIMGWMGTGFN-HNNXBMFYSA-N 2 2 297.443 0.896 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N(C)C2C[NH+](CCC(C)C)C2)C1 ZINC001044320638 851075422 /nfs/dbraw/zinc/07/54/22/851075422.db2.gz NKLWIMGWMGTGFN-HNNXBMFYSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCO)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001044628786 851134159 /nfs/dbraw/zinc/13/41/59/851134159.db2.gz YOFCKBMLFBSKHR-RYUDHWBXSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCO)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001044628786 851134163 /nfs/dbraw/zinc/13/41/63/851134163.db2.gz YOFCKBMLFBSKHR-RYUDHWBXSA-N 2 2 280.372 0.304 20 0 CCADLP CC(C)[NH2+]C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001045254542 851228051 /nfs/dbraw/zinc/22/80/51/851228051.db2.gz MPDBVQDACQNUKM-NSHDSACASA-N 2 2 250.346 0.941 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCF)C2 ZINC001047211088 851681467 /nfs/dbraw/zinc/68/14/67/851681467.db2.gz YCIVBAVWMSSOEA-AVGNSLFASA-N 2 2 280.347 0.822 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCF)C2 ZINC001047211088 851681470 /nfs/dbraw/zinc/68/14/70/851681470.db2.gz YCIVBAVWMSSOEA-AVGNSLFASA-N 2 2 280.347 0.822 20 0 CCADLP COCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001096349860 851945905 /nfs/dbraw/zinc/94/59/05/851945905.db2.gz KHGDTYMIFHSIEB-XBFCOCLRSA-N 2 2 292.383 0.331 20 0 CCADLP COCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001096349860 851945913 /nfs/dbraw/zinc/94/59/13/851945913.db2.gz KHGDTYMIFHSIEB-XBFCOCLRSA-N 2 2 292.383 0.331 20 0 CCADLP C[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001096350198 851946853 /nfs/dbraw/zinc/94/68/53/851946853.db2.gz YOKYJUOHPBIPHC-XCCSTKFXSA-N 2 2 292.383 0.065 20 0 CCADLP C[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1c[nH+]cn1C)C2 ZINC001096350198 851946855 /nfs/dbraw/zinc/94/68/55/851946855.db2.gz YOKYJUOHPBIPHC-XCCSTKFXSA-N 2 2 292.383 0.065 20 0 CCADLP C[C@H]([NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1)[C@@H]1CCC[NH2+]1 ZINC000902499267 851961403 /nfs/dbraw/zinc/96/14/03/851961403.db2.gz IVNHTAFIJBPMLT-SRVKXCTJSA-N 2 2 277.372 0.491 20 0 CCADLP CC(C)[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001048489798 851963113 /nfs/dbraw/zinc/96/31/13/851963113.db2.gz LLBRSQBAPYKHLU-CHWSQXEVSA-N 2 2 264.373 0.976 20 0 CCADLP CCC[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001049083316 852158184 /nfs/dbraw/zinc/15/81/84/852158184.db2.gz XYTRBVTZDKTYJO-TXEJJXNPSA-N 2 2 262.357 0.752 20 0 CCADLP CCC[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001049083316 852158189 /nfs/dbraw/zinc/15/81/89/852158189.db2.gz XYTRBVTZDKTYJO-TXEJJXNPSA-N 2 2 262.357 0.752 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CCF)C1 ZINC001049391142 852256951 /nfs/dbraw/zinc/25/69/51/852256951.db2.gz HTRRTHCKQUPYJP-MJBXVCDLSA-N 2 2 299.390 0.352 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CCF)C1 ZINC001049391142 852256957 /nfs/dbraw/zinc/25/69/57/852256957.db2.gz HTRRTHCKQUPYJP-MJBXVCDLSA-N 2 2 299.390 0.352 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CCF)C1 ZINC001049391142 852256965 /nfs/dbraw/zinc/25/69/65/852256965.db2.gz HTRRTHCKQUPYJP-MJBXVCDLSA-N 2 2 299.390 0.352 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3CCF)C1 ZINC001049391142 852256973 /nfs/dbraw/zinc/25/69/73/852256973.db2.gz HTRRTHCKQUPYJP-MJBXVCDLSA-N 2 2 299.390 0.352 20 0 CCADLP [NH3+][C@H]1CC[C@H]([N@H+](C2COC2)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001254325447 852527533 /nfs/dbraw/zinc/52/75/33/852527533.db2.gz WBRCUMURKBJEDZ-IJLUTSLNSA-N 2 2 288.413 0.144 20 0 CCADLP [NH3+][C@H]1CC[C@H]([N@@H+](C2COC2)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001254325447 852527535 /nfs/dbraw/zinc/52/75/35/852527535.db2.gz WBRCUMURKBJEDZ-IJLUTSLNSA-N 2 2 288.413 0.144 20 0 CCADLP COCC[N@@H+]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001052823753 852659416 /nfs/dbraw/zinc/65/94/16/852659416.db2.gz NCGKNFUQPKGSOB-GFCCVEGCSA-N 2 2 280.372 0.569 20 0 CCADLP COCC[N@H+]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001052823753 852659421 /nfs/dbraw/zinc/65/94/21/852659421.db2.gz NCGKNFUQPKGSOB-GFCCVEGCSA-N 2 2 280.372 0.569 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@@H+](C[C@@H](C)O)CC1 ZINC001052896721 852667419 /nfs/dbraw/zinc/66/74/19/852667419.db2.gz CXMMHNNZGGLMCF-DGCLKSJQSA-N 2 2 294.399 0.612 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@H+](C[C@@H](C)O)CC1 ZINC001052896721 852667422 /nfs/dbraw/zinc/66/74/22/852667422.db2.gz CXMMHNNZGGLMCF-DGCLKSJQSA-N 2 2 294.399 0.612 20 0 CCADLP CC(C)[NH+]1CC2(C1)CN(C(=O)C[N@@H+]1CC[C@@H](C)C1)CCO2 ZINC001053429013 852743456 /nfs/dbraw/zinc/74/34/56/852743456.db2.gz CGVMYDZARBJFQQ-CQSZACIVSA-N 2 2 295.427 0.650 20 0 CCADLP CC(C)[NH+]1CC2(C1)CN(C(=O)C[N@H+]1CC[C@@H](C)C1)CCO2 ZINC001053429013 852743461 /nfs/dbraw/zinc/74/34/61/852743461.db2.gz CGVMYDZARBJFQQ-CQSZACIVSA-N 2 2 295.427 0.650 20 0 CCADLP CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)CO2 ZINC001053756307 852806893 /nfs/dbraw/zinc/80/68/93/852806893.db2.gz TVFPPYGBDWXTKH-STQMWFEESA-N 2 2 281.400 0.450 20 0 CCADLP CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)CO2 ZINC001053756307 852806902 /nfs/dbraw/zinc/80/69/02/852806902.db2.gz TVFPPYGBDWXTKH-STQMWFEESA-N 2 2 281.400 0.450 20 0 CCADLP CC[NH2+][C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001054950849 853042606 /nfs/dbraw/zinc/04/26/06/853042606.db2.gz GWAYGRYILKTKJU-NEPJUHHUSA-N 2 2 250.346 0.730 20 0 CCADLP CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001050006798 853291873 /nfs/dbraw/zinc/29/18/73/853291873.db2.gz RGYCMCLKMISUOB-ZNMIVQPWSA-N 2 2 295.427 0.650 20 0 CCADLP CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001050006798 853291882 /nfs/dbraw/zinc/29/18/82/853291882.db2.gz RGYCMCLKMISUOB-ZNMIVQPWSA-N 2 2 295.427 0.650 20 0 CCADLP CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001050006798 853291893 /nfs/dbraw/zinc/29/18/93/853291893.db2.gz RGYCMCLKMISUOB-ZNMIVQPWSA-N 2 2 295.427 0.650 20 0 CCADLP CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001050006798 853291899 /nfs/dbraw/zinc/29/18/99/853291899.db2.gz RGYCMCLKMISUOB-ZNMIVQPWSA-N 2 2 295.427 0.650 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]3C[NH+](CCF)C[C@H]32)C1 ZINC001050006754 853292010 /nfs/dbraw/zinc/29/20/10/853292010.db2.gz PVMBWCUUVMHUOC-MJBXVCDLSA-N 2 2 299.390 0.209 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]3C[NH+](CCF)C[C@H]32)C1 ZINC001050006754 853292016 /nfs/dbraw/zinc/29/20/16/853292016.db2.gz PVMBWCUUVMHUOC-MJBXVCDLSA-N 2 2 299.390 0.209 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@H]3C[N@H+](CCF)C[C@H]32)C1 ZINC001050006754 853292023 /nfs/dbraw/zinc/29/20/23/853292023.db2.gz PVMBWCUUVMHUOC-MJBXVCDLSA-N 2 2 299.390 0.209 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@H]3C[N@@H+](CCF)C[C@H]32)C1 ZINC001050006754 853292028 /nfs/dbraw/zinc/29/20/28/853292028.db2.gz PVMBWCUUVMHUOC-MJBXVCDLSA-N 2 2 299.390 0.209 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001050922004 853486375 /nfs/dbraw/zinc/48/63/75/853486375.db2.gz WGFBZYKVVQAFAW-UONOGXRCSA-N 2 2 281.400 0.165 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001050922004 853486377 /nfs/dbraw/zinc/48/63/77/853486377.db2.gz WGFBZYKVVQAFAW-UONOGXRCSA-N 2 2 281.400 0.165 20 0 CCADLP CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001051246357 853555916 /nfs/dbraw/zinc/55/59/16/853555916.db2.gz XWNOMZYBAWXICD-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001051246357 853555929 /nfs/dbraw/zinc/55/59/29/853555929.db2.gz XWNOMZYBAWXICD-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP CCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001051246357 853555937 /nfs/dbraw/zinc/55/59/37/853555937.db2.gz XWNOMZYBAWXICD-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP CCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001051246357 853555942 /nfs/dbraw/zinc/55/59/42/853555942.db2.gz XWNOMZYBAWXICD-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CCO[C@H](C[NH2+]CC2CC2)C1 ZINC001051581559 853604802 /nfs/dbraw/zinc/60/48/02/853604802.db2.gz JABHTSVGOSUYQN-CYBMUJFWSA-N 2 2 292.383 0.569 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001051744450 853636027 /nfs/dbraw/zinc/63/60/27/853636027.db2.gz KAWLWJVNMSJAPI-GFCCVEGCSA-N 2 2 266.345 0.110 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCO[C@H](C[NH2+]CC2CC2)C1 ZINC001051743695 853637676 /nfs/dbraw/zinc/63/76/76/853637676.db2.gz BLIVUKZZEFEGHQ-CQSZACIVSA-N 2 2 292.383 0.500 20 0 CCADLP C(CN1CCSCC1)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000385569696 853895444 /nfs/dbraw/zinc/89/54/44/853895444.db2.gz CTZMAICLJFEANG-MEBFFEOJSA-N 2 2 267.442 0.621 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC000386299560 853928601 /nfs/dbraw/zinc/92/86/01/853928601.db2.gz FMFXBKCIRMRVDC-NEPJUHHUSA-N 2 2 250.346 0.730 20 0 CCADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)N[C@@H]1CCC[N@H+](C)C1 ZINC001255475828 854067654 /nfs/dbraw/zinc/06/76/54/854067654.db2.gz WFUSILAAVPVNMZ-DGCLKSJQSA-N 2 2 280.372 0.188 20 0 CCADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)N[C@@H]1CCC[N@@H+](C)C1 ZINC001255475828 854067657 /nfs/dbraw/zinc/06/76/57/854067657.db2.gz WFUSILAAVPVNMZ-DGCLKSJQSA-N 2 2 280.372 0.188 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC3(C2)CC[NH+](CCF)C3)C1 ZINC001073447355 854560678 /nfs/dbraw/zinc/56/06/78/854560678.db2.gz PCQBSPNFRVKNSB-ZDUSSCGKSA-N 2 2 299.390 0.211 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC3(C2)CC[NH+](CCF)C3)C1 ZINC001073447355 854560683 /nfs/dbraw/zinc/56/06/83/854560683.db2.gz PCQBSPNFRVKNSB-ZDUSSCGKSA-N 2 2 299.390 0.211 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2CC3(C2)CC[N@H+](CCF)C3)C1 ZINC001073447355 854560686 /nfs/dbraw/zinc/56/06/86/854560686.db2.gz PCQBSPNFRVKNSB-ZDUSSCGKSA-N 2 2 299.390 0.211 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2CC3(C2)CC[N@@H+](CCF)C3)C1 ZINC001073447355 854560690 /nfs/dbraw/zinc/56/06/90/854560690.db2.gz PCQBSPNFRVKNSB-ZDUSSCGKSA-N 2 2 299.390 0.211 20 0 CCADLP C[C@H]1[C@@H]([NH2+]C[C@H]2CCOC2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001074918375 854798606 /nfs/dbraw/zinc/79/86/06/854798606.db2.gz KPUWIZHRWFJBJK-SCRDCRAPSA-N 2 2 292.383 0.568 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099809166 854999248 /nfs/dbraw/zinc/99/92/48/854999248.db2.gz CZUVLHVFNJSWMY-NEPJUHHUSA-N 2 2 280.372 0.302 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099809166 854999254 /nfs/dbraw/zinc/99/92/54/854999254.db2.gz CZUVLHVFNJSWMY-NEPJUHHUSA-N 2 2 280.372 0.302 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@H]1CC[N@@H+](CC2CC2)C[C@@H]1O ZINC001099940581 855038300 /nfs/dbraw/zinc/03/83/00/855038300.db2.gz YDUDIAYJWPFMJB-KBPBESRZSA-N 2 2 292.383 0.235 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@H]1CC[N@H+](CC2CC2)C[C@@H]1O ZINC001099940581 855038304 /nfs/dbraw/zinc/03/83/04/855038304.db2.gz YDUDIAYJWPFMJB-KBPBESRZSA-N 2 2 292.383 0.235 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099939905 855039817 /nfs/dbraw/zinc/03/98/17/855039817.db2.gz OBEGUHWMIRTEHU-CHWSQXEVSA-N 2 2 280.372 0.233 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H](O)C1 ZINC001099939905 855039808 /nfs/dbraw/zinc/03/98/08/855039808.db2.gz OBEGUHWMIRTEHU-CHWSQXEVSA-N 2 2 280.372 0.233 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099939906 855040173 /nfs/dbraw/zinc/04/01/73/855040173.db2.gz OBEGUHWMIRTEHU-OLZOCXBDSA-N 2 2 280.372 0.233 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001099939906 855040178 /nfs/dbraw/zinc/04/01/78/855040178.db2.gz OBEGUHWMIRTEHU-OLZOCXBDSA-N 2 2 280.372 0.233 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC1CC([NH2+]CCF)C1 ZINC001100391364 855159292 /nfs/dbraw/zinc/15/92/92/855159292.db2.gz INJHORUNAXTWFF-UHFFFAOYSA-N 2 2 268.336 0.796 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC1CC([NH2+]CCF)C1 ZINC001100391364 855159299 /nfs/dbraw/zinc/15/92/99/855159299.db2.gz INJHORUNAXTWFF-UHFFFAOYSA-N 2 2 268.336 0.796 20 0 CCADLP CCOC(=O)C1=C(O)CC[N@@H+](C2CC[NH+](C)CC2)CC1 ZINC001256207335 855220777 /nfs/dbraw/zinc/22/07/77/855220777.db2.gz IOEGZBYTGOVXKP-ZDUSSCGKSA-N 2 2 282.384 0.925 20 0 CCADLP CCOC(=O)C1=C(O)CC[N@H+](C2CC[NH+](C)CC2)CC1 ZINC001256207335 855220787 /nfs/dbraw/zinc/22/07/87/855220787.db2.gz IOEGZBYTGOVXKP-ZDUSSCGKSA-N 2 2 282.384 0.925 20 0 CCADLP Cc1nc(NCCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)cc[nH+]1 ZINC001101962442 855400940 /nfs/dbraw/zinc/40/09/40/855400940.db2.gz 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Cc1[nH+]c[nH]c1CC(=O)N(CCO)CC[NH2+]CC1CCC1 ZINC001326133320 913765128 /nfs/dbraw/zinc/76/51/28/913765128.db2.gz QKVCPGIQMVPUSR-UHFFFAOYSA-N 2 2 294.399 0.471 20 0 CCADLP CCC[NH+]1CCC(CO)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001422195602 893428757 /nfs/dbraw/zinc/42/87/57/893428757.db2.gz PSRAGEYEXLTRFI-UHFFFAOYSA-N 2 2 280.372 0.236 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]CCCF ZINC001482143887 893436722 /nfs/dbraw/zinc/43/67/22/893436722.db2.gz GOQLVAMAZFJFLF-SNVBAGLBSA-N 2 2 256.325 0.654 20 0 CCADLP C[C@H](C[NH2+]CC1CC1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001482336787 893885500 /nfs/dbraw/zinc/88/55/00/893885500.db2.gz YPLUMESUJJIHKS-SNVBAGLBSA-N 2 2 250.346 0.799 20 0 CCADLP Cc1cc(C)c(C(=O)N[C@@H](C)CC[NH2+]CC(N)=O)c(C)[nH+]1 ZINC001482855698 894656603 /nfs/dbraw/zinc/65/66/03/894656603.db2.gz IIWVJNHUHYLLMD-JTQLQIEISA-N 2 2 292.383 0.590 20 0 CCADLP COCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001409576514 895260320 /nfs/dbraw/zinc/26/03/20/895260320.db2.gz 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896273739 /nfs/dbraw/zinc/27/37/39/896273739.db2.gz DGLSBMNRDFGXMQ-OAHLLOKOSA-N 2 2 294.399 0.626 20 0 CCADLP CCC[N@H+]1CC[C@@](O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001484254015 896273754 /nfs/dbraw/zinc/27/37/54/896273754.db2.gz DGLSBMNRDFGXMQ-OAHLLOKOSA-N 2 2 294.399 0.626 20 0 CCADLP C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C[NH2+]CCO ZINC001484380169 896371182 /nfs/dbraw/zinc/37/11/82/896371182.db2.gz GUQOILIXSYGFAX-RYUDHWBXSA-N 2 2 294.399 0.364 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CCC(C)([NH2+]CCO)CC1 ZINC001484928786 896667460 /nfs/dbraw/zinc/66/74/60/896667460.db2.gz IAPIELFVYWSUPL-UHFFFAOYSA-N 2 2 294.399 0.316 20 0 CCADLP CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001485318395 896938309 /nfs/dbraw/zinc/93/83/09/896938309.db2.gz HJHALDYLUPPKFT-CHWSQXEVSA-N 2 2 298.431 0.043 20 0 CCADLP CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001485318395 896938315 /nfs/dbraw/zinc/93/83/15/896938315.db2.gz HJHALDYLUPPKFT-CHWSQXEVSA-N 2 2 298.431 0.043 20 0 CCADLP CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001485318395 896938320 /nfs/dbraw/zinc/93/83/20/896938320.db2.gz HJHALDYLUPPKFT-CHWSQXEVSA-N 2 2 298.431 0.043 20 0 CCADLP CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001485318395 896938326 /nfs/dbraw/zinc/93/83/26/896938326.db2.gz HJHALDYLUPPKFT-CHWSQXEVSA-N 2 2 298.431 0.043 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[N@@H+](C)C[C@@H](C)O ZINC001485377958 897010023 /nfs/dbraw/zinc/01/00/23/897010023.db2.gz PDAKDMRODYZBOK-VHSXEESVSA-N 2 2 268.361 0.078 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[N@H+](C)C[C@@H](C)O ZINC001485377958 897010030 /nfs/dbraw/zinc/01/00/30/897010030.db2.gz PDAKDMRODYZBOK-VHSXEESVSA-N 2 2 268.361 0.078 20 0 CCADLP CCC[NH+]1CC([C@@H](C)NC(=O)Cc2c[nH+]cn2C)C1 ZINC001485533713 897112415 /nfs/dbraw/zinc/11/24/15/897112415.db2.gz SQMCDSVEWKCBLA-LLVKDONJSA-N 2 2 264.373 0.809 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCC[NH2+]C[C@@H](C)O ZINC001485747000 897223214 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O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CC1 ZINC001032550898 897738448 /nfs/dbraw/zinc/73/84/48/897738448.db2.gz GVBPNRGYHHJXID-KBPBESRZSA-N 2 2 274.368 0.968 20 0 CCADLP CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001032586594 897777018 /nfs/dbraw/zinc/77/70/18/897777018.db2.gz ALGCROHDVJPINH-IHRRRGAJSA-N 2 2 281.400 0.401 20 0 CCADLP CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001032586594 897777028 /nfs/dbraw/zinc/77/70/28/897777028.db2.gz ALGCROHDVJPINH-IHRRRGAJSA-N 2 2 281.400 0.401 20 0 CCADLP CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001032586594 897777039 /nfs/dbraw/zinc/77/70/39/897777039.db2.gz ALGCROHDVJPINH-IHRRRGAJSA-N 2 2 281.400 0.401 20 0 CCADLP CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001032586594 897777048 /nfs/dbraw/zinc/77/70/48/897777048.db2.gz ALGCROHDVJPINH-IHRRRGAJSA-N 2 2 281.400 0.401 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001485830956 897798413 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CCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCF ZINC001032759476 898121234 /nfs/dbraw/zinc/12/12/34/898121234.db2.gz OWJOMMMRJQNMTM-KBPBESRZSA-N 2 2 294.374 0.997 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCCO1 ZINC001078497908 898398106 /nfs/dbraw/zinc/39/81/06/898398106.db2.gz BIUYSWCPTSNOCY-CYBMUJFWSA-N 2 2 280.372 0.190 20 0 CCADLP CC(C)[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCCO1 ZINC001078513959 898399862 /nfs/dbraw/zinc/39/98/62/898399862.db2.gz GCBMZGPKQRCZKN-ZDUSSCGKSA-N 2 2 280.372 0.499 20 0 CCADLP CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001486350786 898810627 /nfs/dbraw/zinc/81/06/27/898810627.db2.gz MMSWKIPEXYMKQS-JHJVBQTASA-N 2 2 294.399 0.295 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001486350786 898810641 /nfs/dbraw/zinc/81/06/41/898810641.db2.gz MMSWKIPEXYMKQS-JHJVBQTASA-N 2 2 294.399 0.295 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CC[NH+]1CCN(C)CC1 ZINC001143225339 899043189 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CCADLP C[C@H]1[C@H](NC(=O)CCc2c[nH+]cn2C)CCC[N@@H+]1CCO ZINC001410927892 899634175 /nfs/dbraw/zinc/63/41/75/899634175.db2.gz NZKHLUUTQKCVFQ-GXTWGEPZSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@H]1[C@H](NC(=O)CCc2c[nH+]cn2C)CCC[N@H+]1CCO ZINC001410927892 899634181 /nfs/dbraw/zinc/63/41/81/899634181.db2.gz NZKHLUUTQKCVFQ-GXTWGEPZSA-N 2 2 294.399 0.314 20 0 CCADLP CCOC1CC(C[NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001134397907 899833062 /nfs/dbraw/zinc/83/30/62/899833062.db2.gz YFPACAHCGWECCU-UHFFFAOYSA-N 2 2 280.372 0.473 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@@H+]1CCF ZINC001489280421 900461511 /nfs/dbraw/zinc/46/15/11/900461511.db2.gz FFQHMEVHJOZMNY-NEPJUHHUSA-N 2 2 268.336 0.822 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@H+]1CCF ZINC001489280421 900461516 /nfs/dbraw/zinc/46/15/16/900461516.db2.gz FFQHMEVHJOZMNY-NEPJUHHUSA-N 2 2 268.336 0.822 20 0 CCADLP COC[C@H](C)[NH2+][C@H](CNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001490737536 900712211 /nfs/dbraw/zinc/71/22/11/900712211.db2.gz LCWJOTXWJMJPJF-IINYFYTJSA-N 2 2 294.399 0.780 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@H](C)n2cc[nH+]c2)CC1 ZINC001411923627 901331424 /nfs/dbraw/zinc/33/14/24/901331424.db2.gz AXQMKLJFSRHPPI-STQMWFEESA-N 2 2 280.372 0.359 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)CC[NH+](C)C ZINC001412637771 901896220 /nfs/dbraw/zinc/89/62/20/901896220.db2.gz JINZECLFZNETDH-KGLIPLIRSA-N 2 2 285.432 0.801 20 0 CCADLP C[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1CCO)n1cc[nH+]c1 ZINC001412992085 902451209 /nfs/dbraw/zinc/45/12/09/902451209.db2.gz SLIFLYFLDDQQGW-QWHCGFSZSA-N 2 2 280.372 0.407 20 0 CCADLP C[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1CCO)n1cc[nH+]c1 ZINC001412992085 902451213 /nfs/dbraw/zinc/45/12/13/902451213.db2.gz SLIFLYFLDDQQGW-QWHCGFSZSA-N 2 2 280.372 0.407 20 0 CCADLP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1CCC[NH+]1CCOCC1 ZINC001413015200 902482360 /nfs/dbraw/zinc/48/23/60/902482360.db2.gz UPFKXKZIHKZLLQ-GJZGRUSLSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1CCC[NH+]1CCOCC1 ZINC001413015200 902482365 /nfs/dbraw/zinc/48/23/65/902482365.db2.gz UPFKXKZIHKZLLQ-GJZGRUSLSA-N 2 2 285.432 0.096 20 0 CCADLP CCn1nncc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001413132644 902729317 /nfs/dbraw/zinc/72/93/17/902729317.db2.gz LEAGXQGZBIBQSL-LSDHHAIUSA-N 2 2 293.415 0.765 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001490915809 903232814 /nfs/dbraw/zinc/23/28/14/903232814.db2.gz FLFOUBFDVNVEPN-JHJVBQTASA-N 2 2 280.372 0.545 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1CCC[N@H+](CCF)C1 ZINC001398674283 914778487 /nfs/dbraw/zinc/77/84/87/914778487.db2.gz UAQLPBTUKDXOEH-CYBMUJFWSA-N 2 2 282.363 0.989 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1CCC[N@@H+](CCF)C1 ZINC001398674283 914778504 /nfs/dbraw/zinc/77/85/04/914778504.db2.gz UAQLPBTUKDXOEH-CYBMUJFWSA-N 2 2 282.363 0.989 20 0 CCADLP COCC[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001281457143 904286551 /nfs/dbraw/zinc/28/65/51/904286551.db2.gz GBLWGRFKAMIKGF-GWCFXTLKSA-N 2 2 280.372 0.344 20 0 CCADLP C[N@H+](CCC[C@@H]1CCOC1)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001377235061 904707823 /nfs/dbraw/zinc/70/78/23/904707823.db2.gz BOJSXUSLHGYWSP-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP C[N@@H+](CCC[C@@H]1CCOC1)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001377235061 904707832 /nfs/dbraw/zinc/70/78/32/904707832.db2.gz BOJSXUSLHGYWSP-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP C[C@@H]1C[C@H](C[N@H+](C)CCNC(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001377236777 904711484 /nfs/dbraw/zinc/71/14/84/904711484.db2.gz LLLIAZBQLNTZSF-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H]1C[C@H](C[N@@H+](C)CCNC(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001377236777 904711492 /nfs/dbraw/zinc/71/14/92/904711492.db2.gz LLLIAZBQLNTZSF-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP Cc1cc(C[N@H+](C)CCNC(=O)C2CC[NH+](C)CC2)on1 ZINC001377253580 904726474 /nfs/dbraw/zinc/72/64/74/904726474.db2.gz CEUKWGBMJLIYGB-UHFFFAOYSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1cc(C[N@@H+](C)CCNC(=O)C2CC[NH+](C)CC2)on1 ZINC001377253580 904726488 /nfs/dbraw/zinc/72/64/88/904726488.db2.gz CEUKWGBMJLIYGB-UHFFFAOYSA-N 2 2 294.399 0.873 20 0 CCADLP C[C@@H](CCC[NH2+]CCO)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001283202368 904754848 /nfs/dbraw/zinc/75/48/48/904754848.db2.gz HQFLDUFAWBPVCR-QWHCGFSZSA-N 2 2 294.399 0.312 20 0 CCADLP C[C@H](CC(=O)N(C)[C@H](C[NH2+]CCO)C1CC1)n1cc[nH+]c1 ZINC001283544275 904902928 /nfs/dbraw/zinc/90/29/28/904902928.db2.gz OAHMAMWDWCWZEZ-TZMCWYRMSA-N 2 2 294.399 0.653 20 0 CCADLP COCC[NH2+][C@H](C)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001283678667 904957284 /nfs/dbraw/zinc/95/72/84/904957284.db2.gz RFLCMHXZBZAWEA-OLZOCXBDSA-N 2 2 282.388 0.917 20 0 CCADLP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]C[C@H]1CCCOC1 ZINC001377537027 904980892 /nfs/dbraw/zinc/98/08/92/904980892.db2.gz WGYMEOABAXLUBI-UONOGXRCSA-N 2 2 294.399 0.794 20 0 CCADLP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCCCCn1cc[nH+]c1 ZINC001327926857 914867851 /nfs/dbraw/zinc/86/78/51/914867851.db2.gz DKTBYSNIDONCDU-NWDGAFQWSA-N 2 2 266.345 0.143 20 0 CCADLP C[C@@H](O)C[N@H+](C)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001377671621 905084852 /nfs/dbraw/zinc/08/48/52/905084852.db2.gz HBBBVYOORVGYJB-CHWSQXEVSA-N 2 2 280.372 0.187 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001377671621 905084861 /nfs/dbraw/zinc/08/48/61/905084861.db2.gz HBBBVYOORVGYJB-CHWSQXEVSA-N 2 2 280.372 0.187 20 0 CCADLP O=C(C[NH+]1CCC(CO)CC1)NCCCn1cc[nH+]c1 ZINC001336956232 921125883 /nfs/dbraw/zinc/12/58/83/921125883.db2.gz NHBKPCPZRFWNST-UHFFFAOYSA-N 2 2 280.372 0.094 20 0 CCADLP CC[NH+](CC)C[C@H](F)C(=O)NC1C[NH+]([C@@H](C)COC)C1 ZINC001377877973 905209732 /nfs/dbraw/zinc/20/97/32/905209732.db2.gz AGXNHYWXQMNXSC-AAEUAGOBSA-N 2 2 289.395 0.502 20 0 CCADLP C[C@@H](O)C[NH+]1CC(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001377898924 905227266 /nfs/dbraw/zinc/22/72/66/905227266.db2.gz JBSDVTFCUDFHGX-CYBMUJFWSA-N 2 2 297.443 0.680 20 0 CCADLP C[C@H](C(=O)NC[C@H](C)[N@H+](C)CC(N)=O)[NH+]1CCCCCC1 ZINC001378161149 905460733 /nfs/dbraw/zinc/46/07/33/905460733.db2.gz ZBXUNGXAZLRHIP-QWHCGFSZSA-N 2 2 298.431 0.173 20 0 CCADLP C[C@H](C(=O)NC[C@H](C)[N@@H+](C)CC(N)=O)[NH+]1CCCCCC1 ZINC001378161149 905460737 /nfs/dbraw/zinc/46/07/37/905460737.db2.gz ZBXUNGXAZLRHIP-QWHCGFSZSA-N 2 2 298.431 0.173 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC1=CC[N@H+](CCO)CC1 ZINC001284986953 905521011 /nfs/dbraw/zinc/52/10/11/905521011.db2.gz VOYQOAXFNSIGIF-UHFFFAOYSA-N 2 2 292.383 0.093 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC1=CC[N@@H+](CCO)CC1 ZINC001284986953 905521026 /nfs/dbraw/zinc/52/10/26/905521026.db2.gz VOYQOAXFNSIGIF-UHFFFAOYSA-N 2 2 292.383 0.093 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001378510524 905649950 /nfs/dbraw/zinc/64/99/50/905649950.db2.gz MQHWKYLAEGHEII-DGCLKSJQSA-N 2 2 280.372 0.568 20 0 CCADLP C[N@H+](CCCO)C1CCN(c2cc(N)nc[nH+]2)CC1 ZINC001337042572 921167121 /nfs/dbraw/zinc/16/71/21/921167121.db2.gz MURGWTVAXNLEOK-UHFFFAOYSA-N 2 2 265.361 0.342 20 0 CCADLP C[N@@H+](CCCO)C1CCN(c2cc(N)nc[nH+]2)CC1 ZINC001337042572 921167130 /nfs/dbraw/zinc/16/71/30/921167130.db2.gz MURGWTVAXNLEOK-UHFFFAOYSA-N 2 2 265.361 0.342 20 0 CCADLP C[C@@H](C[NH2+]C[C@H]1CCCCO1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001378840863 905850559 /nfs/dbraw/zinc/85/05/59/905850559.db2.gz ZSLCEPPGQBVNJT-QWHCGFSZSA-N 2 2 294.399 0.958 20 0 CCADLP CC[C@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)c1nc(C)no1)[NH+](C)C ZINC001379383373 906199483 /nfs/dbraw/zinc/19/94/83/906199483.db2.gz LLZWGBFGCJJONK-JFGNBEQYSA-N 2 2 297.403 0.874 20 0 CCADLP CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1C[NH+]2CCC1CC2 ZINC001292873663 906357587 /nfs/dbraw/zinc/35/75/87/906357587.db2.gz SAUIOXXSZCKGKN-CYBMUJFWSA-N 2 2 262.357 0.515 20 0 CCADLP C[C@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CCC[N@@H+]1CCO ZINC001379648402 906405282 /nfs/dbraw/zinc/40/52/82/906405282.db2.gz OXKPOEFXDBTYEZ-AAEUAGOBSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CCC[N@H+]1CCO ZINC001379648402 906405296 /nfs/dbraw/zinc/40/52/96/906405296.db2.gz OXKPOEFXDBTYEZ-AAEUAGOBSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CCC[N@@H+]1CCO ZINC001379648402 906405303 /nfs/dbraw/zinc/40/53/03/906405303.db2.gz OXKPOEFXDBTYEZ-AAEUAGOBSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CCC[N@H+]1CCO ZINC001379648402 906405317 /nfs/dbraw/zinc/40/53/17/906405317.db2.gz OXKPOEFXDBTYEZ-AAEUAGOBSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H](C[N@H+](C)CCCO)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001379700997 906438749 /nfs/dbraw/zinc/43/87/49/906438749.db2.gz UOCRAMADRLPGDY-QWHCGFSZSA-N 2 2 294.399 0.264 20 0 CCADLP C[C@@H](C[N@@H+](C)CCCO)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001379700997 906438760 /nfs/dbraw/zinc/43/87/60/906438760.db2.gz UOCRAMADRLPGDY-QWHCGFSZSA-N 2 2 294.399 0.264 20 0 CCADLP C[C@@H](C[N@H+](C)Cc1ccn(C)n1)NC(=O)C[NH+]1CCCC1 ZINC001379787028 906480713 /nfs/dbraw/zinc/48/07/13/906480713.db2.gz UMHBAXFZYWKTHZ-ZDUSSCGKSA-N 2 2 293.415 0.452 20 0 CCADLP C[C@@H](C[N@@H+](C)Cc1ccn(C)n1)NC(=O)C[NH+]1CCCC1 ZINC001379787028 906480717 /nfs/dbraw/zinc/48/07/17/906480717.db2.gz UMHBAXFZYWKTHZ-ZDUSSCGKSA-N 2 2 293.415 0.452 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NC[C@H]1CC[N@@H+]1CC1CC1 ZINC001379987415 906575150 /nfs/dbraw/zinc/57/51/50/906575150.db2.gz SIJOHKCLKFNRIH-CYBMUJFWSA-N 2 2 276.384 0.953 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NC[C@H]1CC[N@H+]1CC1CC1 ZINC001379987415 906575157 /nfs/dbraw/zinc/57/51/57/906575157.db2.gz SIJOHKCLKFNRIH-CYBMUJFWSA-N 2 2 276.384 0.953 20 0 CCADLP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1Cc1ccnn1C ZINC001380008689 906582336 /nfs/dbraw/zinc/58/23/36/906582336.db2.gz HUEQIVPSLGOMIJ-CYBMUJFWSA-N 2 2 293.415 0.452 20 0 CCADLP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]1Cc1ccnn1C ZINC001380008689 906582347 /nfs/dbraw/zinc/58/23/47/906582347.db2.gz HUEQIVPSLGOMIJ-CYBMUJFWSA-N 2 2 293.415 0.452 20 0 CCADLP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1Cc1ccnn1C ZINC001380008689 906582354 /nfs/dbraw/zinc/58/23/54/906582354.db2.gz HUEQIVPSLGOMIJ-CYBMUJFWSA-N 2 2 293.415 0.452 20 0 CCADLP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1Cc1ccnn1C ZINC001380008689 906582364 /nfs/dbraw/zinc/58/23/64/906582364.db2.gz HUEQIVPSLGOMIJ-CYBMUJFWSA-N 2 2 293.415 0.452 20 0 CCADLP C[C@@]1(NC(=O)CC[NH+]2CCOCC2)CC[N@H+](CCF)C1 ZINC001380381167 906754381 /nfs/dbraw/zinc/75/43/81/906754381.db2.gz NGBANICUJYLAEG-CQSZACIVSA-N 2 2 287.379 0.259 20 0 CCADLP C[C@@]1(NC(=O)CC[NH+]2CCOCC2)CC[N@@H+](CCF)C1 ZINC001380381167 906754390 /nfs/dbraw/zinc/75/43/90/906754390.db2.gz NGBANICUJYLAEG-CQSZACIVSA-N 2 2 287.379 0.259 20 0 CCADLP CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001380547296 906813844 /nfs/dbraw/zinc/81/38/44/906813844.db2.gz NQCJIZPUROZSPB-WFASDCNBSA-N 2 2 292.383 0.018 20 0 CCADLP CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001380547296 906813857 /nfs/dbraw/zinc/81/38/57/906813857.db2.gz NQCJIZPUROZSPB-WFASDCNBSA-N 2 2 292.383 0.018 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]1C[N@H+](C)CCF ZINC001381294900 907148061 /nfs/dbraw/zinc/14/80/61/907148061.db2.gz UIUDBCTXVHGGDJ-GFCCVEGCSA-N 2 2 282.363 0.855 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]1C[N@@H+](C)CCF ZINC001381294900 907148065 /nfs/dbraw/zinc/14/80/65/907148065.db2.gz UIUDBCTXVHGGDJ-GFCCVEGCSA-N 2 2 282.363 0.855 20 0 CCADLP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]Cc1csnn1 ZINC001381417049 907199064 /nfs/dbraw/zinc/19/90/64/907199064.db2.gz IUCXTXOILNFWNR-VHSXEESVSA-N 2 2 285.417 0.473 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC001337930228 921304020 /nfs/dbraw/zinc/30/40/20/921304020.db2.gz RLDWARDNDPVREB-QWRGUYRKSA-N 2 2 265.361 0.532 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)NC1(CCO)C[NH+](CC)C1 ZINC001381665017 907358370 /nfs/dbraw/zinc/35/83/70/907358370.db2.gz RBLPPMUHTQBWFN-ZDUSSCGKSA-N 2 2 283.416 0.434 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)NC1(CCO)C[NH+](CC2CC2)C1 ZINC001381682382 907369648 /nfs/dbraw/zinc/36/96/48/907369648.db2.gz MOPLUKOXMJZDGV-AWEZNQCLSA-N 2 2 295.427 0.434 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)NC1(CCO)C[NH+](CC2CC2)C1 ZINC001381682382 907369669 /nfs/dbraw/zinc/36/96/69/907369669.db2.gz MOPLUKOXMJZDGV-AWEZNQCLSA-N 2 2 295.427 0.434 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CC[C@H]1CCCO1 ZINC001491637126 907474657 /nfs/dbraw/zinc/47/46/57/907474657.db2.gz IJSFPUGHISYSJZ-GXTWGEPZSA-N 2 2 294.399 0.626 20 0 CCADLP COCCC[NH2+][C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001491649479 907483281 /nfs/dbraw/zinc/48/32/81/907483281.db2.gz HGOCARSWNJNPBV-JTQLQIEISA-N 2 2 268.361 0.391 20 0 CCADLP CC[C@H](C[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1)OC ZINC001491693739 907505657 /nfs/dbraw/zinc/50/56/57/907505657.db2.gz IUUHWMYTKGALKH-NWDGAFQWSA-N 2 2 268.361 0.402 20 0 CCADLP CCc1[nH+]ccn1CCNC(=O)CCn1cc[nH+]c1 ZINC001303469745 908085412 /nfs/dbraw/zinc/08/54/12/908085412.db2.gz KBUOIGLLPHHSNH-UHFFFAOYSA-N 2 2 261.329 0.849 20 0 CCADLP Cc1cc(N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)nc(N)[nH+]1 ZINC001338083903 908201258 /nfs/dbraw/zinc/20/12/58/908201258.db2.gz LBKQYXZYFCYUJV-WDEREUQCSA-N 2 2 264.377 0.413 20 0 CCADLP Cc1cc(N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)nc(N)[nH+]1 ZINC001338083903 908201275 /nfs/dbraw/zinc/20/12/75/908201275.db2.gz LBKQYXZYFCYUJV-WDEREUQCSA-N 2 2 264.377 0.413 20 0 CCADLP CC[N@@H+]1CCC[C@@H]([NH2+]CCNC(=O)c2ccn[nH]2)C1 ZINC001308637825 908426776 /nfs/dbraw/zinc/42/67/76/908426776.db2.gz RLTKAKYJSFJGCK-LLVKDONJSA-N 2 2 265.361 0.213 20 0 CCADLP CC[N@H+]1CCC[C@@H]([NH2+]CCNC(=O)c2ccn[nH]2)C1 ZINC001308637825 908426789 /nfs/dbraw/zinc/42/67/89/908426789.db2.gz RLTKAKYJSFJGCK-LLVKDONJSA-N 2 2 265.361 0.213 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH+](C)Cc2cnon2)C1 ZINC001316851432 908806519 /nfs/dbraw/zinc/80/65/19/908806519.db2.gz WOVQECUMTVQXIV-GFCCVEGCSA-N 2 2 295.387 0.350 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH+](C)Cc2cnon2)C1 ZINC001316851432 908806529 /nfs/dbraw/zinc/80/65/29/908806529.db2.gz WOVQECUMTVQXIV-GFCCVEGCSA-N 2 2 295.387 0.350 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)NCCC[N@H+](C)Cc2cnon2)C1 ZINC001316851432 908806540 /nfs/dbraw/zinc/80/65/40/908806540.db2.gz WOVQECUMTVQXIV-GFCCVEGCSA-N 2 2 295.387 0.350 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)NCCC[N@@H+](C)Cc2cnon2)C1 ZINC001316851432 908806557 /nfs/dbraw/zinc/80/65/57/908806557.db2.gz WOVQECUMTVQXIV-GFCCVEGCSA-N 2 2 295.387 0.350 20 0 CCADLP COCCC[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317090951 908973456 /nfs/dbraw/zinc/97/34/56/908973456.db2.gz XJCQLRLEHOJBCC-XYPYZODXSA-N 2 2 266.345 0.226 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@@H]([NH2+]CCF)C1 ZINC001317117355 908990274 /nfs/dbraw/zinc/99/02/74/908990274.db2.gz SIVYNZLCLKYEIZ-PHIMTYICSA-N 2 2 268.336 0.559 20 0 CCADLP CCOCC[NH2+][C@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001317367045 909161911 /nfs/dbraw/zinc/16/19/11/909161911.db2.gz XBKSWYDUFYKSPJ-UONOGXRCSA-N 2 2 294.399 0.937 20 0 CCADLP CN(CC[NH2+]CCCO)C(=O)c1cccc2[nH+]ccn21 ZINC001317610147 909405019 /nfs/dbraw/zinc/40/50/19/909405019.db2.gz ITEDAEUOCCUQBE-UHFFFAOYSA-N 2 2 276.340 0.378 20 0 CCADLP CN(CC[NH2+]CC[C@H]1CCCO1)C(=O)Cc1c[nH+]c[nH]1 ZINC001317634285 909430971 /nfs/dbraw/zinc/43/09/71/909430971.db2.gz PBEDAYYDYGZCPQ-CYBMUJFWSA-N 2 2 280.372 0.569 20 0 CCADLP CN(CC[NH2+]C[C@H]1CC(C)(C)CO1)C(=O)Cn1cc[nH+]c1 ZINC001317666326 909460131 /nfs/dbraw/zinc/46/01/31/909460131.db2.gz FZAQNUIWDBGMJN-CYBMUJFWSA-N 2 2 294.399 0.746 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@@H+](CCO)C(C)C ZINC001317709969 909473808 /nfs/dbraw/zinc/47/38/08/909473808.db2.gz WQCIHWQBJGLKIV-UHFFFAOYSA-N 2 2 282.388 0.470 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@H+](CCO)C(C)C ZINC001317709969 909473819 /nfs/dbraw/zinc/47/38/19/909473819.db2.gz WQCIHWQBJGLKIV-UHFFFAOYSA-N 2 2 282.388 0.470 20 0 CCADLP CCOCC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001317994374 909563423 /nfs/dbraw/zinc/56/34/23/909563423.db2.gz QNXYPVOMRLLSHT-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP CCOCC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001317994374 909563436 /nfs/dbraw/zinc/56/34/36/909563436.db2.gz QNXYPVOMRLLSHT-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001388762334 909575360 /nfs/dbraw/zinc/57/53/60/909575360.db2.gz JIYDLTIOCKHRKY-FRRDWIJNSA-N 2 2 280.372 0.138 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001318030597 909590244 /nfs/dbraw/zinc/59/02/44/909590244.db2.gz DJOQHIUYNSAIIU-NSHDSACASA-N 2 2 269.389 0.306 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001318030597 909590258 /nfs/dbraw/zinc/59/02/58/909590258.db2.gz DJOQHIUYNSAIIU-NSHDSACASA-N 2 2 269.389 0.306 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)C[NH2+]C(C)(C)C ZINC001318201621 909663407 /nfs/dbraw/zinc/66/34/07/909663407.db2.gz GMXGJBJFFYPERA-UHFFFAOYSA-N 2 2 257.378 0.165 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]([NH2+]Cc1ccccn1)C1CC1 ZINC001389685707 910030803 /nfs/dbraw/zinc/03/08/03/910030803.db2.gz GNGOTPHTDNQJNX-OAHLLOKOSA-N 2 2 299.378 0.963 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]([NH2+]C/C=C\Cl)C1 ZINC001389907155 910138936 /nfs/dbraw/zinc/13/89/36/910138936.db2.gz ZLLYMLFZJFVQIV-GMTZLAESSA-N 2 2 282.775 0.952 20 0 CCADLP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1cnsn1 ZINC001390399869 910395532 /nfs/dbraw/zinc/39/55/32/910395532.db2.gz LJDUNTDHRTTWFO-JTQLQIEISA-N 2 2 297.428 0.617 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCC[C@@H]1C[NH2+]CCCO ZINC001320166989 910492293 /nfs/dbraw/zinc/49/22/93/910492293.db2.gz SMUYGTBSCRZXSF-YPMHNXCESA-N 2 2 280.372 0.209 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C(C)C)[nH]1 ZINC001390537953 910503760 /nfs/dbraw/zinc/50/37/60/910503760.db2.gz YPUJGLWRIZQKLM-WDEREUQCSA-N 2 2 296.419 0.609 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)C(C)C)[nH]1 ZINC001390537953 910503770 /nfs/dbraw/zinc/50/37/70/910503770.db2.gz YPUJGLWRIZQKLM-WDEREUQCSA-N 2 2 296.419 0.609 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC[C@@H]1CCCCO1 ZINC001390547092 910508629 /nfs/dbraw/zinc/50/86/29/910508629.db2.gz SKRWVFSLCLQWRY-KBPBESRZSA-N 2 2 294.399 0.937 20 0 CCADLP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2csnn2)C1 ZINC001390566121 910521006 /nfs/dbraw/zinc/52/10/06/910521006.db2.gz SSTXYYREGPBLLW-NSHDSACASA-N 2 2 297.428 0.570 20 0 CCADLP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2csnn2)C1 ZINC001390566121 910521018 /nfs/dbraw/zinc/52/10/18/910521018.db2.gz SSTXYYREGPBLLW-NSHDSACASA-N 2 2 297.428 0.570 20 0 CCADLP COC[C@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001390630199 910554393 /nfs/dbraw/zinc/55/43/93/910554393.db2.gz VDGQZXNYNJPOCI-GXTWGEPZSA-N 2 2 294.399 0.910 20 0 CCADLP COC[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001390630199 910554398 /nfs/dbraw/zinc/55/43/98/910554398.db2.gz VDGQZXNYNJPOCI-GXTWGEPZSA-N 2 2 294.399 0.910 20 0 CCADLP CO[C@H](C)C[N@H+](C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001390781452 910674391 /nfs/dbraw/zinc/67/43/91/910674391.db2.gz GCTIDGMOFCPISH-OLZOCXBDSA-N 2 2 294.399 0.528 20 0 CCADLP CO[C@H](C)C[N@@H+](C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001390781452 910674396 /nfs/dbraw/zinc/67/43/96/910674396.db2.gz GCTIDGMOFCPISH-OLZOCXBDSA-N 2 2 294.399 0.528 20 0 CCADLP COC[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001391077438 910848510 /nfs/dbraw/zinc/84/85/10/910848510.db2.gz DKLZDKXVKNZRKA-STQMWFEESA-N 2 2 280.372 0.499 20 0 CCADLP COC[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001391077438 910848520 /nfs/dbraw/zinc/84/85/20/910848520.db2.gz DKLZDKXVKNZRKA-STQMWFEESA-N 2 2 280.372 0.499 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CC[N@H+](CCCO)C1 ZINC001391116675 910887159 /nfs/dbraw/zinc/88/71/59/910887159.db2.gz UKEXJPLQAXBIHD-ZDUSSCGKSA-N 2 2 294.399 0.173 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CC[N@@H+](CCCO)C1 ZINC001391116675 910887170 /nfs/dbraw/zinc/88/71/70/910887170.db2.gz UKEXJPLQAXBIHD-ZDUSSCGKSA-N 2 2 294.399 0.173 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]C/C=C/CNC(=O)CC[NH+](C)C)o1 ZINC001321220191 911172229 /nfs/dbraw/zinc/17/22/29/911172229.db2.gz AJBQXDJMSLUTBM-MVIFTORASA-N 2 2 295.387 0.653 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1C[NH+](C[C@@H]2CCCCO2)C1 ZINC001391518566 911190774 /nfs/dbraw/zinc/19/07/74/911190774.db2.gz VYARAMSJGKNYQT-AWEZNQCLSA-N 2 2 292.383 0.500 20 0 CCADLP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1nnc(C)o1 ZINC001391745962 911381988 /nfs/dbraw/zinc/38/19/88/911381988.db2.gz ACCXZCUJGHONQZ-LBPRGKRZSA-N 2 2 295.387 0.458 20 0 CCADLP C[C@@H](C[NH2+]Cc1csnn1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001392548967 911921999 /nfs/dbraw/zinc/92/19/99/911921999.db2.gz HBFXXHWHFDKVIA-ONGXEEELSA-N 2 2 283.401 0.227 20 0 CCADLP C[C@@H](C[NH2+]Cc1csnn1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001392548967 911922011 /nfs/dbraw/zinc/92/20/11/911922011.db2.gz HBFXXHWHFDKVIA-ONGXEEELSA-N 2 2 283.401 0.227 20 0 CCADLP C[C@H](C[N@H+](C)CCCO)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001392667630 912059938 /nfs/dbraw/zinc/05/99/38/912059938.db2.gz BENWBYJUXRWVGO-CHWSQXEVSA-N 2 2 294.399 0.264 20 0 CCADLP C[C@H](C[N@@H+](C)CCCO)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001392667630 912059954 /nfs/dbraw/zinc/05/99/54/912059954.db2.gz BENWBYJUXRWVGO-CHWSQXEVSA-N 2 2 294.399 0.264 20 0 CCADLP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CC(=O)NC)C1)[NH+](CC)CC ZINC001417941540 921725780 /nfs/dbraw/zinc/72/57/80/921725780.db2.gz CIYSNVFNBSAGRK-OLZOCXBDSA-N 2 2 298.431 0.043 20 0 CCADLP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC)C1)[NH+](CC)CC ZINC001417941540 921725788 /nfs/dbraw/zinc/72/57/88/921725788.db2.gz CIYSNVFNBSAGRK-OLZOCXBDSA-N 2 2 298.431 0.043 20 0 CCADLP CCOCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001327959898 914891300 /nfs/dbraw/zinc/89/13/00/914891300.db2.gz TZJFHHZBBMAQLU-UONOGXRCSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CCC(F)(F)F ZINC001399041711 915019604 /nfs/dbraw/zinc/01/96/04/915019604.db2.gz VXOQFZPUBSGSDH-MRVPVSSYSA-N 2 2 278.278 0.999 20 0 CCADLP C[C@@H](O)C[NH2+][C@H](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001400087701 915554103 /nfs/dbraw/zinc/55/41/03/915554103.db2.gz VEEASJVVAZMQGB-VXGBXAGGSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@H+](C)CCCO ZINC001329460964 915938927 /nfs/dbraw/zinc/93/89/27/915938927.db2.gz SXPIOIDPEGKDET-LLVKDONJSA-N 2 2 268.361 0.161 20 0 CCADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@@H+](C)CCCO ZINC001329460964 915938938 /nfs/dbraw/zinc/93/89/38/915938938.db2.gz SXPIOIDPEGKDET-LLVKDONJSA-N 2 2 268.361 0.161 20 0 CCADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@H+](C)CCCO ZINC001329460964 915938948 /nfs/dbraw/zinc/93/89/48/915938948.db2.gz SXPIOIDPEGKDET-LLVKDONJSA-N 2 2 268.361 0.161 20 0 CCADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@@H+](C)CCCO ZINC001329460964 915938961 /nfs/dbraw/zinc/93/89/61/915938961.db2.gz SXPIOIDPEGKDET-LLVKDONJSA-N 2 2 268.361 0.161 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@](C)(NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001400994279 916005543 /nfs/dbraw/zinc/00/55/43/916005543.db2.gz SBPVVBQJNCCFJX-SWLSCSKDSA-N 2 2 294.399 0.529 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]Cc1ccon1 ZINC001401142189 916067046 /nfs/dbraw/zinc/06/70/46/916067046.db2.gz YHCMZIUTTXWQKE-NSHDSACASA-N 2 2 291.355 0.493 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001401229200 916131442 /nfs/dbraw/zinc/13/14/42/916131442.db2.gz SCMNACPJTXTTFZ-GHMZBOCLSA-N 2 2 290.367 0.994 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC001329850277 916226266 /nfs/dbraw/zinc/22/62/66/916226266.db2.gz BUSPSZUSZZQDAA-RKDXNWHRSA-N 2 2 263.345 0.007 20 0 CCADLP CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1ncc(C)o1)[NH+](C)C ZINC001401645746 916424174 /nfs/dbraw/zinc/42/41/74/916424174.db2.gz BBHAPQBGHTXWHT-PWSUYJOCSA-N 2 2 282.388 0.918 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+][C@H](C)c1nnc(C)o1 ZINC001401660776 916439491 /nfs/dbraw/zinc/43/94/91/916439491.db2.gz YNRXWVCNDHFGBL-GHMZBOCLSA-N 2 2 297.403 0.875 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+][C@H](C)c1nnc(C)o1 ZINC001401660776 916439513 /nfs/dbraw/zinc/43/95/13/916439513.db2.gz YNRXWVCNDHFGBL-GHMZBOCLSA-N 2 2 297.403 0.875 20 0 CCADLP CC[N@H+](C)CCC(=O)NCC1([NH2+]Cc2cnon2)CC1 ZINC001401976323 916737024 /nfs/dbraw/zinc/73/70/24/916737024.db2.gz LEKAJWLPGZWQAR-UHFFFAOYSA-N 2 2 281.360 0.150 20 0 CCADLP CC[N@@H+](C)CCC(=O)NCC1([NH2+]Cc2cnon2)CC1 ZINC001401976323 916737042 /nfs/dbraw/zinc/73/70/42/916737042.db2.gz LEKAJWLPGZWQAR-UHFFFAOYSA-N 2 2 281.360 0.150 20 0 CCADLP CC[N@@H+]1CC[C@@](O)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001402296883 916936990 /nfs/dbraw/zinc/93/69/90/916936990.db2.gz SVDYIJHIEMQETF-OAHLLOKOSA-N 2 2 288.351 0.521 20 0 CCADLP CC[N@H+]1CC[C@@](O)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001402296883 916937006 /nfs/dbraw/zinc/93/70/06/916937006.db2.gz SVDYIJHIEMQETF-OAHLLOKOSA-N 2 2 288.351 0.521 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001402527186 917079145 /nfs/dbraw/zinc/07/91/45/917079145.db2.gz ABGIPEFYGJMWRI-CHWSQXEVSA-N 2 2 280.372 0.235 20 0 CCADLP CC[NH2+]CC1(O)CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001402803060 917237606 /nfs/dbraw/zinc/23/76/06/917237606.db2.gz FNZGEEXIDXONLG-UHFFFAOYSA-N 2 2 294.399 0.316 20 0 CCADLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]Cc1cncn1C ZINC001403039666 917437456 /nfs/dbraw/zinc/43/74/56/917437456.db2.gz PBNNLLBTOQLQCI-WDEREUQCSA-N 2 2 290.371 0.369 20 0 CCADLP COCC[N@H+](C)[C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001403139673 917520595 /nfs/dbraw/zinc/52/05/95/917520595.db2.gz QKKXCHJIGNQILQ-GFCCVEGCSA-N 2 2 282.388 0.436 20 0 CCADLP COCC[N@@H+](C)[C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001403139673 917520604 /nfs/dbraw/zinc/52/06/04/917520604.db2.gz QKKXCHJIGNQILQ-GFCCVEGCSA-N 2 2 282.388 0.436 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC1(CCO)C[NH+](CCCF)C1 ZINC001403224129 917598659 /nfs/dbraw/zinc/59/86/59/917598659.db2.gz UYRUOQRTAOMXGX-UHFFFAOYSA-N 2 2 298.362 0.104 20 0 CCADLP CC(C)[NH2+][C@H](CO)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001331805052 917622707 /nfs/dbraw/zinc/62/27/07/917622707.db2.gz PVDCBPVFKNUYSC-PWSUYJOCSA-N 2 2 268.361 0.063 20 0 CCADLP CC(C)[NH2+][C@H](CO)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001331805052 917622710 /nfs/dbraw/zinc/62/27/10/917622710.db2.gz PVDCBPVFKNUYSC-PWSUYJOCSA-N 2 2 268.361 0.063 20 0 CCADLP c1cn(CCC[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)c[nH+]1 ZINC001331890550 917694440 /nfs/dbraw/zinc/69/44/40/917694440.db2.gz JQDAJDWFFWBGMM-CYBMUJFWSA-N 2 2 290.371 0.691 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NC[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001403414779 917703134 /nfs/dbraw/zinc/70/31/34/917703134.db2.gz MFFUPWRMNJYQDK-ZSOGYDGISA-N 2 2 294.374 0.927 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NC[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC001403414779 917703144 /nfs/dbraw/zinc/70/31/44/917703144.db2.gz MFFUPWRMNJYQDK-ZSOGYDGISA-N 2 2 294.374 0.927 20 0 CCADLP CCOCC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@@H]1C ZINC001331915398 917712141 /nfs/dbraw/zinc/71/21/41/917712141.db2.gz CWLQQGGFFFFUIU-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP Cc1nocc1C[NH2+][C@@H](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001403487691 917741546 /nfs/dbraw/zinc/74/15/46/917741546.db2.gz PENTZBCYJIMDTR-NSHDSACASA-N 2 2 291.355 0.864 20 0 CCADLP O=S1(=O)CC[C@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC001331966659 917762494 /nfs/dbraw/zinc/76/24/94/917762494.db2.gz YNONBJDWMGLBJF-MNOVXSKESA-N 2 2 258.387 0.295 20 0 CCADLP CC(C)C[C@H](C(=O)N(C)C[C@H](C)[NH2+]CCO)n1cc[nH+]c1 ZINC001403557200 917810166 /nfs/dbraw/zinc/81/01/66/917810166.db2.gz LRQYXWAIMDPWKO-UONOGXRCSA-N 2 2 296.415 0.899 20 0 CCADLP CC[C@]1(C(=O)NCCNc2cccc[nH+]2)CC[NH2+]C1 ZINC001332092890 917857447 /nfs/dbraw/zinc/85/74/47/917857447.db2.gz GTXXOZXJHSZQAY-AWEZNQCLSA-N 2 2 262.357 0.999 20 0 CCADLP CC(C)C[NH2+]C[C@H](O)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001403864508 918071876 /nfs/dbraw/zinc/07/18/76/918071876.db2.gz BSUHVWBBHGELEE-KGLIPLIRSA-N 2 2 296.415 0.899 20 0 CCADLP CC[N@H+](C)C[C@H](O)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001403902227 918101584 /nfs/dbraw/zinc/10/15/84/918101584.db2.gz ALHJTYIQWIKNSK-ZDUSSCGKSA-N 2 2 282.388 0.124 20 0 CCADLP CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001403902227 918101592 /nfs/dbraw/zinc/10/15/92/918101592.db2.gz ALHJTYIQWIKNSK-ZDUSSCGKSA-N 2 2 282.388 0.124 20 0 CCADLP CC[C@H](C(=O)N(C)CC[NH2+][C@H](C)c1csnn1)[NH+](C)C ZINC001404325328 918308720 /nfs/dbraw/zinc/30/87/20/918308720.db2.gz RLHVVIIDLPNXDY-ZYHUDNBSSA-N 2 2 299.444 0.987 20 0 CCADLP CC[C@H](C(=O)N(C)CC[NH2+][C@@H](C)c1ncccn1)[NH+](C)C ZINC001404467621 918360245 /nfs/dbraw/zinc/36/02/45/918360245.db2.gz OWTINYZLWJPZOU-QWHCGFSZSA-N 2 2 293.415 0.926 20 0 CCADLP CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001404706378 918435519 /nfs/dbraw/zinc/43/55/19/918435519.db2.gz BGUZQDKUGYOTQT-ZDUSSCGKSA-N 2 2 298.431 0.043 20 0 CCADLP CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001404706378 918435531 /nfs/dbraw/zinc/43/55/31/918435531.db2.gz BGUZQDKUGYOTQT-ZDUSSCGKSA-N 2 2 298.431 0.043 20 0 CCADLP CCNC(=O)C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001404706378 918435553 /nfs/dbraw/zinc/43/55/53/918435553.db2.gz BGUZQDKUGYOTQT-ZDUSSCGKSA-N 2 2 298.431 0.043 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@H](C[NH2+]CCO)C(C)(C)C ZINC001332822129 918457854 /nfs/dbraw/zinc/45/78/54/918457854.db2.gz GWKNMQBWMRQMRC-GFCCVEGCSA-N 2 2 296.415 0.466 20 0 CCADLP CNC(=O)C[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC001332944923 918553533 /nfs/dbraw/zinc/55/35/33/918553533.db2.gz CXIULQIDYRYCCH-YPMHNXCESA-N 2 2 269.389 0.354 20 0 CCADLP O=C(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)NC1CC1 ZINC001332986372 918581818 /nfs/dbraw/zinc/58/18/18/918581818.db2.gz ZOIFFNAHKKPSDR-ZDUSSCGKSA-N 2 2 267.373 0.108 20 0 CCADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cncn1C ZINC001405364166 918745073 /nfs/dbraw/zinc/74/50/73/918745073.db2.gz JHBLFYVUAGDELL-LBPRGKRZSA-N 2 2 290.371 0.301 20 0 CCADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CCn1cccn1 ZINC001405375418 918748037 /nfs/dbraw/zinc/74/80/37/918748037.db2.gz VVSHTFXUKBGJDF-ZDUSSCGKSA-N 2 2 290.371 0.264 20 0 CCADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2CN2C[C@@H]3CCO[C@@H]3C2=O)C1 ZINC001333792694 919168187 /nfs/dbraw/zinc/16/81/87/919168187.db2.gz XRGUIDIKDWAJOB-QPSCCSFWSA-N 2 2 293.411 0.607 20 0 CCADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2CN2C[C@@H]3CCO[C@@H]3C2=O)C1 ZINC001333792694 919168194 /nfs/dbraw/zinc/16/81/94/919168194.db2.gz XRGUIDIKDWAJOB-QPSCCSFWSA-N 2 2 293.411 0.607 20 0 CCADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2CN2C[C@@H]3CCO[C@@H]3C2=O)C1 ZINC001333792694 919168201 /nfs/dbraw/zinc/16/82/01/919168201.db2.gz XRGUIDIKDWAJOB-QPSCCSFWSA-N 2 2 293.411 0.607 20 0 CCADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2CN2C[C@@H]3CCO[C@@H]3C2=O)C1 ZINC001333792694 919168210 /nfs/dbraw/zinc/16/82/10/919168210.db2.gz XRGUIDIKDWAJOB-QPSCCSFWSA-N 2 2 293.411 0.607 20 0 CCADLP CC[C@@H](C[NH2+]C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C)OC ZINC001406412665 919248465 /nfs/dbraw/zinc/24/84/65/919248465.db2.gz GTHYDONPHCXSHV-PWSUYJOCSA-N 2 2 282.388 0.780 20 0 CCADLP Cc1nnsc1C[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001406433560 919259392 /nfs/dbraw/zinc/25/93/92/919259392.db2.gz SWYCBESQRFMMKA-SECBINFHSA-N 2 2 294.384 0.338 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnsn1)NC(=O)C[N@H+](C)C1CCC1 ZINC001406483438 919299518 /nfs/dbraw/zinc/29/95/18/919299518.db2.gz RILVWSHYPCMTEU-JTQLQIEISA-N 2 2 297.428 0.617 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnsn1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001406483438 919299532 /nfs/dbraw/zinc/29/95/32/919299532.db2.gz RILVWSHYPCMTEU-JTQLQIEISA-N 2 2 297.428 0.617 20 0 CCADLP CO[C@@H](C)C[N@H+](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001406699149 919436506 /nfs/dbraw/zinc/43/65/06/919436506.db2.gz QZGUORZCABAKNF-QWRGUYRKSA-N 2 2 282.388 0.732 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001406699149 919436511 /nfs/dbraw/zinc/43/65/11/919436511.db2.gz QZGUORZCABAKNF-QWRGUYRKSA-N 2 2 282.388 0.732 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H](C[NH2+]C[C@H]1CCOC1)C1CC1 ZINC001406802148 919468002 /nfs/dbraw/zinc/46/80/02/919468002.db2.gz FORPCFHRGVLMCM-TZMCWYRMSA-N 2 2 292.383 0.404 20 0 CCADLP C[C@H](O)C[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001406939906 919546190 /nfs/dbraw/zinc/54/61/90/919546190.db2.gz SWTBYRQUAPCFSN-JTQLQIEISA-N 2 2 288.351 0.796 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1CCO ZINC001408153630 920067784 /nfs/dbraw/zinc/06/77/84/920067784.db2.gz FVWIKYSZFCCEOT-VXGBXAGGSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1CCO ZINC001408153630 920067797 /nfs/dbraw/zinc/06/77/97/920067797.db2.gz FVWIKYSZFCCEOT-VXGBXAGGSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1CCO ZINC001408153630 920067818 /nfs/dbraw/zinc/06/78/18/920067818.db2.gz FVWIKYSZFCCEOT-VXGBXAGGSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1CCO ZINC001408153630 920067833 /nfs/dbraw/zinc/06/78/33/920067833.db2.gz FVWIKYSZFCCEOT-VXGBXAGGSA-N 2 2 280.372 0.304 20 0 CCADLP CC(C)[NH+]1CCC(CO)(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001408267841 920117851 /nfs/dbraw/zinc/11/78/51/920117851.db2.gz IIUXGMPYTJJZHU-UHFFFAOYSA-N 2 2 294.399 0.694 20 0 CCADLP CC(C)[NH+]1CCC(CO)(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001408267841 920117864 /nfs/dbraw/zinc/11/78/64/920117864.db2.gz IIUXGMPYTJJZHU-UHFFFAOYSA-N 2 2 294.399 0.694 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC1(CO)CC[NH+](CC2CC2)CC1 ZINC001408280668 920120857 /nfs/dbraw/zinc/12/08/57/920120857.db2.gz SBEXTNMBHUAMKC-UHFFFAOYSA-N 2 2 292.383 0.236 20 0 CCADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H](O)CO)C1 ZINC001335594638 920307629 /nfs/dbraw/zinc/30/76/29/920307629.db2.gz WQRIURHCINOILQ-VXGBXAGGSA-N 2 2 253.346 0.028 20 0 CCADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H](O)CO)C1 ZINC001335594638 920307641 /nfs/dbraw/zinc/30/76/41/920307641.db2.gz WQRIURHCINOILQ-VXGBXAGGSA-N 2 2 253.346 0.028 20 0 CCADLP C[C@@H]1CN(C(=O)NCCCn2cc[nH+]c2)CC[C@H]1C[NH3+] ZINC001335898251 920502247 /nfs/dbraw/zinc/50/22/47/920502247.db2.gz PKFJFRMMRKINEZ-OLZOCXBDSA-N 2 2 279.388 0.900 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CC1CC1 ZINC001418235491 921948862 /nfs/dbraw/zinc/94/88/62/921948862.db2.gz DUVYEIMPHGYTBQ-DGCLKSJQSA-N 2 2 276.384 0.950 20 0 CCADLP CC(C)C[C@H](C(=O)N1CC[C@H]([NH2+]CCO)C1)n1cc[nH+]c1 ZINC001418329631 922029149 /nfs/dbraw/zinc/02/91/49/922029149.db2.gz HDRFXHZLKUEEOA-UONOGXRCSA-N 2 2 294.399 0.653 20 0 CCADLP CC[C@H](C(=O)NCC1=CC[NH2+]CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC001340282212 922036931 /nfs/dbraw/zinc/03/69/31/922036931.db2.gz QFZWQARUFFGEAS-HUUCEWRRSA-N 2 2 295.427 0.912 20 0 CCADLP CC[C@H](C(=O)NCC1=CC[NH2+]CC1)[N@H+]1CCO[C@H](CC)C1 ZINC001340282212 922036944 /nfs/dbraw/zinc/03/69/44/922036944.db2.gz QFZWQARUFFGEAS-HUUCEWRRSA-N 2 2 295.427 0.912 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1CSCC[NH2+]1 ZINC001340400034 922078456 /nfs/dbraw/zinc/07/84/56/922078456.db2.gz NSBLHUUMQMRMHM-SNVBAGLBSA-N 2 2 268.386 0.472 20 0 CCADLP C[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)CCOC1CCC1 ZINC001418505938 922198281 /nfs/dbraw/zinc/19/82/81/922198281.db2.gz JXVCHIMICFHEAU-UHFFFAOYSA-N 2 2 280.372 0.569 20 0 CCADLP C[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)CCOC1CCC1 ZINC001418505938 922198293 /nfs/dbraw/zinc/19/82/93/922198293.db2.gz JXVCHIMICFHEAU-UHFFFAOYSA-N 2 2 280.372 0.569 20 0 CCADLP CCc1nocc1C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001418518763 922211178 /nfs/dbraw/zinc/21/11/78/922211178.db2.gz HSSMPSLVALIKHC-LBPRGKRZSA-N 2 2 294.399 0.737 20 0 CCADLP CCc1nocc1C[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001418518763 922211184 /nfs/dbraw/zinc/21/11/84/922211184.db2.gz HSSMPSLVALIKHC-LBPRGKRZSA-N 2 2 294.399 0.737 20 0 CCADLP CCc1nocc1C[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001418518763 922211196 /nfs/dbraw/zinc/21/11/96/922211196.db2.gz HSSMPSLVALIKHC-LBPRGKRZSA-N 2 2 294.399 0.737 20 0 CCADLP CCc1nocc1C[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001418518763 922211202 /nfs/dbraw/zinc/21/12/02/922211202.db2.gz HSSMPSLVALIKHC-LBPRGKRZSA-N 2 2 294.399 0.737 20 0 CCADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1cccnc1 ZINC001418586509 922281528 /nfs/dbraw/zinc/28/15/28/922281528.db2.gz XIWZQQFWGLWLHZ-UHFFFAOYSA-N 2 2 287.367 0.916 20 0 CCADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1cccnc1 ZINC001418586509 922281539 /nfs/dbraw/zinc/28/15/39/922281539.db2.gz XIWZQQFWGLWLHZ-UHFFFAOYSA-N 2 2 287.367 0.916 20 0 CCADLP CN(CCOCC[NH3+])C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001341472587 922503975 /nfs/dbraw/zinc/50/39/75/922503975.db2.gz JPYQTNYJJYZTNH-UHFFFAOYSA-N 2 2 254.334 0.121 20 0 CCADLP CC[NH+](CC)C[C@@H](F)C(=O)NC1C[NH+](C[C@@H](C)OC)C1 ZINC001418967499 922524142 /nfs/dbraw/zinc/52/41/42/922524142.db2.gz FGMAPJCQENPXPF-DGCLKSJQSA-N 2 2 289.395 0.502 20 0 CCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001418972354 922532292 /nfs/dbraw/zinc/53/22/92/922532292.db2.gz QLESKBKWBKOCCU-VXGBXAGGSA-N 2 2 294.399 0.578 20 0 CCADLP CC[C@H](C(=O)N[C@H](CO)Cc1c[nH]c[nH+]1)[NH+](CC)CC ZINC001418999446 922559338 /nfs/dbraw/zinc/55/93/38/922559338.db2.gz YDHAVMLYJOLBAP-QWHCGFSZSA-N 2 2 282.388 0.550 20 0 CCADLP CC[C@H](C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1)[NH+](CC)CC ZINC001418999446 922559359 /nfs/dbraw/zinc/55/93/59/922559359.db2.gz YDHAVMLYJOLBAP-QWHCGFSZSA-N 2 2 282.388 0.550 20 0 CCADLP [NH3+]CC(F)(F)CNC(=O)[C@@H]1[NH2+]CCc2occc21 ZINC001341650125 922603187 /nfs/dbraw/zinc/60/31/87/922603187.db2.gz VUVRDBZWBGMCRF-SECBINFHSA-N 2 2 259.256 0.177 20 0 CCADLP CC[C@@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)[NH2+]CCO ZINC001419191202 922704071 /nfs/dbraw/zinc/70/40/71/922704071.db2.gz HTPPHQGGHQPWRD-LBPRGKRZSA-N 2 2 294.399 0.239 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC1CC[NH+](CCCO)CC1 ZINC001419416681 922815636 /nfs/dbraw/zinc/81/56/36/922815636.db2.gz PLWDZVCNPSYSHW-UHFFFAOYSA-N 2 2 294.399 0.484 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]Cc1cscn1 ZINC001419524103 922894801 /nfs/dbraw/zinc/89/48/01/922894801.db2.gz QSXSZLFJTUCSKE-JTQLQIEISA-N 2 2 293.396 0.951 20 0 CCADLP Cc1ncc(C[NH2+]C[C@@H](C)CNC(=O)Cn2cc[nH+]c2)o1 ZINC001419539568 922901621 /nfs/dbraw/zinc/90/16/21/922901621.db2.gz KHVWENMXCYELLZ-LLVKDONJSA-N 2 2 291.355 0.722 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCCC[N@H+]1C[C@H](C)O ZINC001419605126 922947016 /nfs/dbraw/zinc/94/70/16/922947016.db2.gz AGOLVJOOLPQLTC-AAEUAGOBSA-N 2 2 294.399 0.612 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H](C)O ZINC001419605126 922947031 /nfs/dbraw/zinc/94/70/31/922947031.db2.gz AGOLVJOOLPQLTC-AAEUAGOBSA-N 2 2 294.399 0.612 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnn(C)c1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001419719774 923036069 /nfs/dbraw/zinc/03/60/69/923036069.db2.gz CBWIYCRNRSQJGD-NSHDSACASA-N 2 2 290.371 0.322 20 0 CCADLP C[C@@H](C[NH2+]Cc1ccnn1C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001419748585 923070054 /nfs/dbraw/zinc/07/00/54/923070054.db2.gz WRWGFASSIRNVEI-NSHDSACASA-N 2 2 290.371 0.322 20 0 CCADLP Cc1nonc1C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001419838555 923125076 /nfs/dbraw/zinc/12/50/76/923125076.db2.gz MXFBCDBDQKEIOO-ZWNOBZJWSA-N 2 2 297.403 0.559 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+]Cc1nccn1C ZINC001419921069 923166048 /nfs/dbraw/zinc/16/60/48/923166048.db2.gz KHTZVVBFYYKMJC-LLVKDONJSA-N 2 2 290.371 0.220 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cncc(F)c1 ZINC001419954527 923187905 /nfs/dbraw/zinc/18/79/05/923187905.db2.gz HDPOJINAYIVILX-NSHDSACASA-N 2 2 291.330 0.712 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001419997156 923223600 /nfs/dbraw/zinc/22/36/00/923223600.db2.gz CHUNBCOSLIZEMK-OLZOCXBDSA-N 2 2 280.372 0.356 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@@H]([NH3+])C[C@H](C)CC)CC1 ZINC001343372158 923287622 /nfs/dbraw/zinc/28/76/22/923287622.db2.gz QBLHSBYIOYJTIJ-KGLIPLIRSA-N 2 2 285.432 0.931 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC001343737780 923453993 /nfs/dbraw/zinc/45/39/93/923453993.db2.gz ZJPCSTXKIXJMMG-NEPJUHHUSA-N 2 2 257.378 0.164 20 0 CCADLP Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)[nH]1 ZINC001420299688 923519461 /nfs/dbraw/zinc/51/94/61/923519461.db2.gz PEEJUUZZWYUZQV-SNVBAGLBSA-N 2 2 294.403 0.192 20 0 CCADLP C[NH+](C)C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001344129961 923559037 /nfs/dbraw/zinc/55/90/37/923559037.db2.gz USHNWXRJIWANDZ-UHFFFAOYSA-N 2 2 250.346 0.895 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)C1([NH3+])CCCC1 ZINC001344811521 923691739 /nfs/dbraw/zinc/69/17/39/923691739.db2.gz BZCDJJHITAKJPE-GFCCVEGCSA-N 2 2 269.389 0.485 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCN(c2cnn(C)c2)C1 ZINC001345470427 923898299 /nfs/dbraw/zinc/89/82/99/923898299.db2.gz QXNGPNUFZNMBMA-YRGRVCCFSA-N 2 2 263.389 0.586 20 0 CCADLP CC(C)CNC(=O)C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC001345469833 923899140 /nfs/dbraw/zinc/89/91/40/923899140.db2.gz LPOYBHIOYXYCSS-GXTWGEPZSA-N 2 2 269.389 0.115 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001421117863 924158435 /nfs/dbraw/zinc/15/84/35/924158435.db2.gz OMWXXTWKRDPOSY-STQMWFEESA-N 2 2 280.372 0.235 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@](C)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001421220064 924221794 /nfs/dbraw/zinc/22/17/94/924221794.db2.gz JTWNWVJZYZFGHU-DOMZBBRYSA-N 2 2 294.399 0.578 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001421220064 924221807 /nfs/dbraw/zinc/22/18/07/924221807.db2.gz JTWNWVJZYZFGHU-DOMZBBRYSA-N 2 2 294.399 0.578 20 0 CCADLP CN(C)C(=O)OCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001347537978 924474849 /nfs/dbraw/zinc/47/48/49/924474849.db2.gz IJSDGBRXOOIEQG-ZDUSSCGKSA-N 2 2 255.362 0.712 20 0 CCADLP CN(C)C(=O)OCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001347537978 924474852 /nfs/dbraw/zinc/47/48/52/924474852.db2.gz IJSDGBRXOOIEQG-ZDUSSCGKSA-N 2 2 255.362 0.712 20 0 CCADLP CN(C)C(=O)OCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001347537978 924474855 /nfs/dbraw/zinc/47/48/55/924474855.db2.gz IJSDGBRXOOIEQG-ZDUSSCGKSA-N 2 2 255.362 0.712 20 0 CCADLP CN(C)C(=O)OCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001347537978 924474859 /nfs/dbraw/zinc/47/48/59/924474859.db2.gz IJSDGBRXOOIEQG-ZDUSSCGKSA-N 2 2 255.362 0.712 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCCC[NH+]1CCC(O)CC1 ZINC001347696098 924513268 /nfs/dbraw/zinc/51/32/68/924513268.db2.gz IWTRXHHUGUKOEO-UHFFFAOYSA-N 2 2 294.399 0.316 20 0 CCADLP C[C@H](C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)n1cc[nH+]c1 ZINC001349735509 925037498 /nfs/dbraw/zinc/03/74/98/925037498.db2.gz SGNNUFNNGCJMNA-FRRDWIJNSA-N 2 2 262.357 0.997 20 0 CCADLP C[C@H](C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)n1cc[nH+]c1 ZINC001349735509 925037508 /nfs/dbraw/zinc/03/75/08/925037508.db2.gz SGNNUFNNGCJMNA-FRRDWIJNSA-N 2 2 262.357 0.997 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCCc2[nH+]ccn2C)CC[N@@H+]1C ZINC001350512636 925214772 /nfs/dbraw/zinc/21/47/72/925214772.db2.gz WYWYBPKBIHYKAZ-RYUDHWBXSA-N 2 2 264.373 0.809 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCCc2[nH+]ccn2C)CC[N@H+]1C ZINC001350512636 925214776 /nfs/dbraw/zinc/21/47/76/925214776.db2.gz WYWYBPKBIHYKAZ-RYUDHWBXSA-N 2 2 264.373 0.809 20 0 CCADLP C[C@@H](C[NH2+]C[C@H](O)C1(O)CCC1)Cn1cc[nH+]c1 ZINC001353278514 925779809 /nfs/dbraw/zinc/77/98/09/925779809.db2.gz SHHXTTQGKSQJRM-RYUDHWBXSA-N 2 2 253.346 0.385 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)CNC(=O)C2([NH+](C)C)CCC2)o1 ZINC001480474042 925819697 /nfs/dbraw/zinc/81/96/97/925819697.db2.gz GROFOOSWPHXNPV-SNVBAGLBSA-N 2 2 295.387 0.457 20 0 CCADLP CC1(C)CCCN1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001353466331 925842198 /nfs/dbraw/zinc/84/21/98/925842198.db2.gz FSXDNPMKBBWVSP-UHFFFAOYSA-N 2 2 268.405 0.994 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001353500911 925851413 /nfs/dbraw/zinc/85/14/13/925851413.db2.gz SBLGOIRQPLGCHZ-ZYHUDNBSSA-N 2 2 263.345 0.314 20 0 CCADLP CN1CCC[N@H+](CCCNc2nccnc2C[NH3+])CC1 ZINC001354100964 926013631 /nfs/dbraw/zinc/01/36/31/926013631.db2.gz VXINYYMWUNMMIX-UHFFFAOYSA-N 2 2 278.404 0.375 20 0 CCADLP CN1CCC[N@@H+](CCCNc2nccnc2C[NH3+])CC1 ZINC001354100964 926013641 /nfs/dbraw/zinc/01/36/41/926013641.db2.gz VXINYYMWUNMMIX-UHFFFAOYSA-N 2 2 278.404 0.375 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNc1cc[nH+]c(N)n1 ZINC001354257755 926060426 /nfs/dbraw/zinc/06/04/26/926060426.db2.gz SJHMISLEYQESDG-SNVBAGLBSA-N 2 2 251.334 0.582 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNc1cc[nH+]c(N)n1 ZINC001354257755 926060436 /nfs/dbraw/zinc/06/04/36/926060436.db2.gz SJHMISLEYQESDG-SNVBAGLBSA-N 2 2 251.334 0.582 20 0 CCADLP O=C(/C=C\C[NH+]1CCOCC1)NC[C@H]1CCCCC[NH2+]1 ZINC001355520465 926276069 /nfs/dbraw/zinc/27/60/69/926276069.db2.gz MTTQKMRYMMMNJG-KXQLTZBTSA-N 2 2 281.400 0.523 20 0 CCADLP C[NH2+]C1CC(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC001357397928 926524997 /nfs/dbraw/zinc/52/49/97/926524997.db2.gz XHLLTKWMVGPVIM-OKZRHMCRSA-N 2 2 269.389 0.210 20 0 CCADLP O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1CCn2c[nH+]cc2C1 ZINC001357727067 926591314 /nfs/dbraw/zinc/59/13/14/926591314.db2.gz SXOKEZWHGKFGRT-MVWJERBFSA-N 2 2 261.329 0.301 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001358080566 926632662 /nfs/dbraw/zinc/63/26/62/926632662.db2.gz LKHCNGPCQQQLSP-DDHJBXDOSA-N 2 2 262.357 0.875 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001358080566 926632669 /nfs/dbraw/zinc/63/26/69/926632669.db2.gz LKHCNGPCQQQLSP-DDHJBXDOSA-N 2 2 262.357 0.875 20 0 CCADLP CCCC[N@@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001421351585 926692545 /nfs/dbraw/zinc/69/25/45/926692545.db2.gz RNYJCJNVUSLASW-OAHLLOKOSA-N 2 2 294.399 0.695 20 0 CCADLP CCCC[N@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001421351585 926692553 /nfs/dbraw/zinc/69/25/53/926692553.db2.gz RNYJCJNVUSLASW-OAHLLOKOSA-N 2 2 294.399 0.695 20 0 CCADLP CCCC[N@@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001421351585 926692558 /nfs/dbraw/zinc/69/25/58/926692558.db2.gz RNYJCJNVUSLASW-OAHLLOKOSA-N 2 2 294.399 0.695 20 0 CCADLP CCCC[N@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001421351585 926692565 /nfs/dbraw/zinc/69/25/65/926692565.db2.gz RNYJCJNVUSLASW-OAHLLOKOSA-N 2 2 294.399 0.695 20 0 CCADLP C[C@H](O)C[NH+]1CCC(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001421632452 926823474 /nfs/dbraw/zinc/82/34/74/926823474.db2.gz WRKVSBCMAFXCNY-LBPRGKRZSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]Cc1nccn1C ZINC001421747534 926890444 /nfs/dbraw/zinc/89/04/44/926890444.db2.gz NPMFQFPZZZZRHA-LLVKDONJSA-N 2 2 290.371 0.228 20 0 CCADLP C[C@H](C[NH2+]C[C@H]1CCCOC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001422015510 927040724 /nfs/dbraw/zinc/04/07/24/927040724.db2.gz ZPHBGKJDELJHJY-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP CN(CC[N@H+](C)CCCO)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001422173430 927120136 /nfs/dbraw/zinc/12/01/36/927120136.db2.gz FXTUHKGSKYRYNL-UHFFFAOYSA-N 2 2 290.367 0.949 20 0 CCADLP CN(CC[N@@H+](C)CCCO)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001422173430 927120148 /nfs/dbraw/zinc/12/01/48/927120148.db2.gz FXTUHKGSKYRYNL-UHFFFAOYSA-N 2 2 290.367 0.949 20 0 CCADLP CNC(=O)CN1CCC[N@H+](CCCn2cc[nH+]c2)CC1 ZINC001422282224 927189147 /nfs/dbraw/zinc/18/91/47/927189147.db2.gz PCIJECONQYWQNW-UHFFFAOYSA-N 2 2 279.388 0.027 20 0 CCADLP CNC(=O)CN1CCC[N@@H+](CCCn2cc[nH+]c2)CC1 ZINC001422282224 927189155 /nfs/dbraw/zinc/18/91/55/927189155.db2.gz PCIJECONQYWQNW-UHFFFAOYSA-N 2 2 279.388 0.027 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@H](c2cnccn2)C1)C1CC1 ZINC001422327650 927221358 /nfs/dbraw/zinc/22/13/58/927221358.db2.gz SJXLNMSBAXYBMZ-JSGCOSHPSA-N 2 2 276.384 0.721 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H](c2cnccn2)C1)C1CC1 ZINC001422327650 927221366 /nfs/dbraw/zinc/22/13/66/927221366.db2.gz SJXLNMSBAXYBMZ-JSGCOSHPSA-N 2 2 276.384 0.721 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H](c2cnccn2)C1)C1CC1 ZINC001422327650 927221381 /nfs/dbraw/zinc/22/13/81/927221381.db2.gz SJXLNMSBAXYBMZ-JSGCOSHPSA-N 2 2 276.384 0.721 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@H](c2cnccn2)C1)C1CC1 ZINC001422327650 927221392 /nfs/dbraw/zinc/22/13/92/927221392.db2.gz SJXLNMSBAXYBMZ-JSGCOSHPSA-N 2 2 276.384 0.721 20 0 CCADLP CC(C)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001422347371 927235247 /nfs/dbraw/zinc/23/52/47/927235247.db2.gz LIWBIMXOYHLMML-STQMWFEESA-N 2 2 294.399 0.168 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N[C@H](C)C[NH2+]C[C@@H](C)O ZINC001422508637 927335099 /nfs/dbraw/zinc/33/50/99/927335099.db2.gz UNWHFWLYLHZYKK-GHMZBOCLSA-N 2 2 281.356 0.108 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCO1 ZINC001361997321 927509091 /nfs/dbraw/zinc/50/90/91/927509091.db2.gz UTCFYMVNJUKKRU-KFWWJZLASA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCO1 ZINC001361997321 927509100 /nfs/dbraw/zinc/50/91/00/927509100.db2.gz UTCFYMVNJUKKRU-KFWWJZLASA-N 2 2 297.443 0.944 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1csnn1 ZINC001423159479 927702193 /nfs/dbraw/zinc/70/21/93/927702193.db2.gz ONJFWRRTKPFDOF-NSHDSACASA-N 2 2 299.444 0.816 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1csnn1 ZINC001423159479 927702202 /nfs/dbraw/zinc/70/22/02/927702202.db2.gz ONJFWRRTKPFDOF-NSHDSACASA-N 2 2 299.444 0.816 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1Cc1cnn(C)c1 ZINC001423187011 927723478 /nfs/dbraw/zinc/72/34/78/927723478.db2.gz YGVJISDEAHDDNS-CQSZACIVSA-N 2 2 293.415 0.451 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1Cc1cnn(C)c1 ZINC001423187011 927723485 /nfs/dbraw/zinc/72/34/85/927723485.db2.gz YGVJISDEAHDDNS-CQSZACIVSA-N 2 2 293.415 0.451 20 0 CCADLP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1Cc1cnn(C)c1 ZINC001423187011 927723490 /nfs/dbraw/zinc/72/34/90/927723490.db2.gz YGVJISDEAHDDNS-CQSZACIVSA-N 2 2 293.415 0.451 20 0 CCADLP CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1Cc1cnn(C)c1 ZINC001423187011 927723498 /nfs/dbraw/zinc/72/34/98/927723498.db2.gz YGVJISDEAHDDNS-CQSZACIVSA-N 2 2 293.415 0.451 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](CO)[NH2+]CCC1CCCC1 ZINC001423274459 927785568 /nfs/dbraw/zinc/78/55/68/927785568.db2.gz RXBVXRWTYFYNOP-AWEZNQCLSA-N 2 2 294.399 0.599 20 0 CCADLP CC(C)(C)CC[NH2+][C@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001423301292 927797990 /nfs/dbraw/zinc/79/79/90/927797990.db2.gz KFYMDZAZHQSGRE-NSHDSACASA-N 2 2 282.388 0.455 20 0 CCADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CC[NH+](CCO)CC1 ZINC001423658810 927949817 /nfs/dbraw/zinc/94/98/17/927949817.db2.gz YSCQJZPLXJCRPD-GFCCVEGCSA-N 2 2 280.372 0.092 20 0 CCADLP CC(C)[N@@H+]1CC[C@](O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001423789546 927980364 /nfs/dbraw/zinc/98/03/64/927980364.db2.gz 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ZINC001362728993 928415433 /nfs/dbraw/zinc/41/54/33/928415433.db2.gz NBWHZXNLVADBKZ-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP CO[C@@H](C)C[NH+]1CC([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001425240734 928474405 /nfs/dbraw/zinc/47/44/05/928474405.db2.gz DPLQGJRWTDFFMR-QWRGUYRKSA-N 2 2 280.372 0.424 20 0 CCADLP COC[C@H](C)[NH+]1CC([C@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001425247537 928479119 /nfs/dbraw/zinc/47/91/19/928479119.db2.gz VUMHYNDFWNATAV-STQMWFEESA-N 2 2 294.399 0.745 20 0 CCADLP C[N@H+](CCCO)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001425434014 928550027 /nfs/dbraw/zinc/55/00/27/928550027.db2.gz YWYNRRPCEMGFQE-UHFFFAOYSA-N 2 2 294.399 0.648 20 0 CCADLP C[N@@H+](CCCO)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001425434014 928550032 /nfs/dbraw/zinc/55/00/32/928550032.db2.gz YWYNRRPCEMGFQE-UHFFFAOYSA-N 2 2 294.399 0.648 20 0 CCADLP C[N@H+](CCCO)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001425434014 928550041 /nfs/dbraw/zinc/55/00/41/928550041.db2.gz YWYNRRPCEMGFQE-UHFFFAOYSA-N 2 2 294.399 0.648 20 0 CCADLP C[N@@H+](CCCO)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001425434014 928550048 /nfs/dbraw/zinc/55/00/48/928550048.db2.gz YWYNRRPCEMGFQE-UHFFFAOYSA-N 2 2 294.399 0.648 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)CC[N@@H+]1C ZINC001363250258 929027648 /nfs/dbraw/zinc/02/76/48/929027648.db2.gz BGSVXGOFIONHDJ-ZQDZILKHSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)CC[N@H+]1C ZINC001363250258 929027657 /nfs/dbraw/zinc/02/76/57/929027657.db2.gz BGSVXGOFIONHDJ-ZQDZILKHSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH+]1C ZINC001363250258 929027668 /nfs/dbraw/zinc/02/76/68/929027668.db2.gz BGSVXGOFIONHDJ-ZQDZILKHSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH+]1C ZINC001363250258 929027678 /nfs/dbraw/zinc/02/76/78/929027678.db2.gz BGSVXGOFIONHDJ-ZQDZILKHSA-N 2 2 295.427 0.696 20 0 CCADLP CN(C)c1ncc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)s1 ZINC001363363702 929150751 /nfs/dbraw/zinc/15/07/51/929150751.db2.gz TVJZHGBEZDPODU-UHFFFAOYSA-N 2 2 297.428 0.073 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC001363540680 929338636 /nfs/dbraw/zinc/33/86/36/929338636.db2.gz QXRAGTDTJPFQPQ-JHJVBQTASA-N 2 2 274.368 0.830 20 0 CCADLP C[C@@H]1COCCN1CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001363803306 929593794 /nfs/dbraw/zinc/59/37/94/929593794.db2.gz DCYMZVNGUYIKGQ-GDBMZVCRSA-N 2 2 297.443 0.238 20 0 CCADLP C[C@@H]1COCCN1CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001363803306 929593809 /nfs/dbraw/zinc/59/38/09/929593809.db2.gz DCYMZVNGUYIKGQ-GDBMZVCRSA-N 2 2 297.443 0.238 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001373253422 930119546 /nfs/dbraw/zinc/11/95/46/930119546.db2.gz PMPMWOSOKWUOQI-QWHCGFSZSA-N 2 2 280.372 0.092 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001373253422 930119551 /nfs/dbraw/zinc/11/95/51/930119551.db2.gz PMPMWOSOKWUOQI-QWHCGFSZSA-N 2 2 280.372 0.092 20 0 CCADLP CCN(C(=O)CCn1cc[nH+]c1)[C@@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001373708649 930307011 /nfs/dbraw/zinc/30/70/11/930307011.db2.gz IYTAFXCSDQVSFR-UONOGXRCSA-N 2 2 294.399 0.577 20 0 CCADLP CCN(C(=O)CCn1cc[nH+]c1)[C@@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001373708649 930307021 /nfs/dbraw/zinc/30/70/21/930307021.db2.gz IYTAFXCSDQVSFR-UONOGXRCSA-N 2 2 294.399 0.577 20 0 CCADLP Cn1cc(C[N@@H+]2CC[C@H]2CNC(=O)CC[NH+](C)C)cn1 ZINC001446081976 930330279 /nfs/dbraw/zinc/33/02/79/930330279.db2.gz BKHKMDTVNQSFJQ-ZDUSSCGKSA-N 2 2 279.388 0.062 20 0 CCADLP Cn1cc(C[N@H+]2CC[C@H]2CNC(=O)CC[NH+](C)C)cn1 ZINC001446081976 930330288 /nfs/dbraw/zinc/33/02/88/930330288.db2.gz BKHKMDTVNQSFJQ-ZDUSSCGKSA-N 2 2 279.388 0.062 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001446128327 930342241 /nfs/dbraw/zinc/34/22/41/930342241.db2.gz ZIHGFVZLAUGFRA-STQMWFEESA-N 2 2 280.372 0.235 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001446128327 930342246 /nfs/dbraw/zinc/34/22/46/930342246.db2.gz ZIHGFVZLAUGFRA-STQMWFEESA-N 2 2 280.372 0.235 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCC3CC3)CC2)C1 ZINC001374066036 930414222 /nfs/dbraw/zinc/41/42/22/930414222.db2.gz SLPLGAOADJNUOT-CQSZACIVSA-N 2 2 281.400 0.261 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](CCC3CC3)CC2)C1 ZINC001374066036 930414225 /nfs/dbraw/zinc/41/42/25/930414225.db2.gz SLPLGAOADJNUOT-CQSZACIVSA-N 2 2 281.400 0.261 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001446592919 930443688 /nfs/dbraw/zinc/44/36/88/930443688.db2.gz IFLXLHJIGJBFAH-BXUZGUMPSA-N 2 2 280.372 0.161 20 0 CCADLP CC(C)[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]CC(N)=O ZINC001374440675 930508579 /nfs/dbraw/zinc/50/85/79/930508579.db2.gz PTYJUUCOQLNKSN-RYUDHWBXSA-N 2 2 295.387 0.050 20 0 CCADLP CO[C@H](C)C[N@H+](C)CCN(C)C(=O)Cc1c[nH+]cn1C ZINC001374552682 930555787 /nfs/dbraw/zinc/55/57/87/930555787.db2.gz UNSSICCSRRGNLX-GFCCVEGCSA-N 2 2 282.388 0.388 20 0 CCADLP CO[C@H](C)C[N@@H+](C)CCN(C)C(=O)Cc1c[nH+]cn1C ZINC001374552682 930555796 /nfs/dbraw/zinc/55/57/96/930555796.db2.gz UNSSICCSRRGNLX-GFCCVEGCSA-N 2 2 282.388 0.388 20 0 CCADLP CC(C)[NH2+]CC1(NC(=O)Cc2c[nH+]cn2C)CCOCC1 ZINC001447497322 930643246 /nfs/dbraw/zinc/64/32/46/930643246.db2.gz PVYYVDVVUJTQQQ-UHFFFAOYSA-N 2 2 294.399 0.626 20 0 CCADLP C[C@H](C[NH2+]Cc1ccccn1)NC(=O)Cn1cc[nH+]c1 ZINC001374851001 930690778 /nfs/dbraw/zinc/69/07/78/930690778.db2.gz CMMKBRSEUWYVSJ-GFCCVEGCSA-N 2 2 273.340 0.573 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[N@@H+]1CC1CCC1 ZINC001375367484 930868000 /nfs/dbraw/zinc/86/80/00/930868000.db2.gz XMKQDGXOGMEYRJ-CYBMUJFWSA-N 2 2 276.384 0.953 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[N@H+]1CC1CCC1 ZINC001375367484 930868004 /nfs/dbraw/zinc/86/80/04/930868004.db2.gz XMKQDGXOGMEYRJ-CYBMUJFWSA-N 2 2 276.384 0.953 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001448524024 930910837 /nfs/dbraw/zinc/91/08/37/930910837.db2.gz HACWIWGPHYTQRJ-IJLUTSLNSA-N 2 2 280.372 0.472 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@H]2C[C@H]([NH2+]CCO)C2)c[nH+]1 ZINC001375535943 930910989 /nfs/dbraw/zinc/91/09/89/930910989.db2.gz MWJNXMWXFJAVEX-JOCQHMNTSA-N 2 2 294.399 0.403 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)C1C[NH+](CCC[C@H](C)O)C1 ZINC001375717692 930957119 /nfs/dbraw/zinc/95/71/19/930957119.db2.gz ASADUMSTVZARSM-ZDUSSCGKSA-N 2 2 285.432 0.632 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)C1C[NH+](CCC[C@H](C)O)C1 ZINC001375717692 930957127 /nfs/dbraw/zinc/95/71/27/930957127.db2.gz ASADUMSTVZARSM-ZDUSSCGKSA-N 2 2 285.432 0.632 20 0 CCADLP COCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001375846591 930991824 /nfs/dbraw/zinc/99/18/24/930991824.db2.gz GPWOJJNJGVGFTH-WFASDCNBSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@H+]1CC[C@](C)(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001375846591 930991830 /nfs/dbraw/zinc/99/18/30/930991830.db2.gz GPWOJJNJGVGFTH-WFASDCNBSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001375846591 930991834 /nfs/dbraw/zinc/99/18/34/930991834.db2.gz GPWOJJNJGVGFTH-WFASDCNBSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@H+]1CC[C@](C)(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001375846591 930991836 /nfs/dbraw/zinc/99/18/36/930991836.db2.gz GPWOJJNJGVGFTH-WFASDCNBSA-N 2 2 294.399 0.815 20 0 CCADLP COC[C@@H](C)[NH2+][C@H](CNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001376250670 931103504 /nfs/dbraw/zinc/10/35/04/931103504.db2.gz MTCJRTXBSXZJEO-ZYHUDNBSSA-N 2 2 280.372 0.472 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]([NH2+]CCO)C1CC1 ZINC001376246720 931105412 /nfs/dbraw/zinc/10/54/12/931105412.db2.gz CFQRCUNSJGARQZ-GWCFXTLKSA-N 2 2 280.372 0.065 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]([NH2+]CCO)C1CC1 ZINC001376246720 931105420 /nfs/dbraw/zinc/10/54/20/931105420.db2.gz CFQRCUNSJGARQZ-GWCFXTLKSA-N 2 2 280.372 0.065 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001376577968 931184205 /nfs/dbraw/zinc/18/42/05/931184205.db2.gz WLSZHZWZMSXODX-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H](CC[NH+](C)C)C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC001449962627 931211424 /nfs/dbraw/zinc/21/14/24/931211424.db2.gz DDXDLSAJWYVPNO-WDEREUQCSA-N 2 2 250.346 0.512 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1nncs1 ZINC001376797008 931276256 /nfs/dbraw/zinc/27/62/56/931276256.db2.gz UFCWFESPLVVLOJ-MNOVXSKESA-N 2 2 297.428 0.617 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1nncs1 ZINC001376797008 931276263 /nfs/dbraw/zinc/27/62/63/931276263.db2.gz UFCWFESPLVVLOJ-MNOVXSKESA-N 2 2 297.428 0.617 20 0 CCADLP CC[C@H](C(=O)NCC1([NH2+]Cc2cnon2)CCC1)[NH+](C)C ZINC001376809641 931283767 /nfs/dbraw/zinc/28/37/67/931283767.db2.gz NKPSTTYFVDPACF-GFCCVEGCSA-N 2 2 295.387 0.538 20 0 CCADLP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1nncs1 ZINC001376815685 931289026 /nfs/dbraw/zinc/28/90/26/931289026.db2.gz YCEOUCDMQNQWDH-VIFPVBQESA-N 2 2 271.390 0.084 20 0 CCADLP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@H](C)c1nnc(C)o1 ZINC001376839976 931300758 /nfs/dbraw/zinc/30/07/58/931300758.db2.gz KDVSWIVVDQWNAH-GHMZBOCLSA-N 2 2 297.403 0.875 20 0 CCADLP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@H](C)c1nnc(C)o1 ZINC001376839976 931300765 /nfs/dbraw/zinc/30/07/65/931300765.db2.gz KDVSWIVVDQWNAH-GHMZBOCLSA-N 2 2 297.403 0.875 20 0 CCADLP CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1cnon1)[NH+](C)C ZINC001376845033 931302199 /nfs/dbraw/zinc/30/21/99/931302199.db2.gz FOUSWKUUDKSHJR-JQWIXIFHSA-N 2 2 283.376 0.250 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000573322115 334927632 /nfs/dbraw/zinc/92/76/32/334927632.db2.gz OLPCWCIDPBPQHV-QEJZJMRPSA-N 2 2 295.427 0.887 20 0 CCADLP C[C@@H]1C[C@@H](C)[C@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)O1 ZINC000337404895 214058269 /nfs/dbraw/zinc/05/82/69/214058269.db2.gz MYJWNZPSVSXAFJ-UMVBOHGHSA-N 2 2 297.443 0.942 20 0 CCADLP Nc1nc(-n2cccn2)cc(NCCCn2cc[nH+]c2)[nH+]1 ZINC000091424759 349462669 /nfs/dbraw/zinc/46/26/69/349462669.db2.gz LHZZVIGXXAXUOC-UHFFFAOYSA-N 2 2 284.327 0.943 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1CC[NH+](CC2CC2)CC1 ZINC000091509035 349465821 /nfs/dbraw/zinc/46/58/21/349465821.db2.gz QGKCQCRDDVIQGG-CQSZACIVSA-N 2 2 267.417 0.735 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCCC(=O)NC2CC2)n1C ZINC000092987503 349517988 /nfs/dbraw/zinc/51/79/88/349517988.db2.gz FVUYTKUVOALIDY-UHFFFAOYSA-N 2 2 279.388 0.635 20 0 CCADLP COC(=O)[C@H]1CC[C@H](C(=O)OC)C[N@H+]1CCn1cc[nH+]c1 ZINC000599587307 361754845 /nfs/dbraw/zinc/75/48/45/361754845.db2.gz GJSWUYXNKGXFKQ-NWDGAFQWSA-N 2 2 295.339 0.310 20 0 CCADLP COC(=O)[C@H]1CC[C@H](C(=O)OC)C[N@@H+]1CCn1cc[nH+]c1 ZINC000599587307 361754848 /nfs/dbraw/zinc/75/48/48/361754848.db2.gz GJSWUYXNKGXFKQ-NWDGAFQWSA-N 2 2 295.339 0.310 20 0 CCADLP COC(=O)CC[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000599616403 361760336 /nfs/dbraw/zinc/76/03/36/361760336.db2.gz GOPFHKGXFXUFPK-UHFFFAOYSA-N 2 2 270.373 0.736 20 0 CCADLP Cn1cccc1C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000093047190 349522774 /nfs/dbraw/zinc/52/27/74/349522774.db2.gz FYGLOMOMBABPNO-UHFFFAOYSA-N 2 2 290.411 0.765 20 0 CCADLP O=C(NCCn1cc[nH+]c1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000337539605 214146631 /nfs/dbraw/zinc/14/66/31/214146631.db2.gz INSNQIKUGUARTM-QWHCGFSZSA-N 2 2 277.372 0.809 20 0 CCADLP O=C(NCCn1cc[nH+]c1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000337539605 214146633 /nfs/dbraw/zinc/14/66/33/214146633.db2.gz INSNQIKUGUARTM-QWHCGFSZSA-N 2 2 277.372 0.809 20 0 CCADLP CCC(CC)[N@H+](CCOC)CC(=O)N1CC[NH+](C)CC1 ZINC000093171745 349528473 /nfs/dbraw/zinc/52/84/73/349528473.db2.gz IDFQRFDYOLNVJI-UHFFFAOYSA-N 2 2 285.432 0.897 20 0 CCADLP CCC(CC)[N@@H+](CCOC)CC(=O)N1CC[NH+](C)CC1 ZINC000093171745 349528475 /nfs/dbraw/zinc/52/84/75/349528475.db2.gz IDFQRFDYOLNVJI-UHFFFAOYSA-N 2 2 285.432 0.897 20 0 CCADLP C[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H]1C ZINC000093175929 349530025 /nfs/dbraw/zinc/53/00/25/349530025.db2.gz MAKKBMOOBCPGNR-CHWSQXEVSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H]1C ZINC000093175929 349530028 /nfs/dbraw/zinc/53/00/28/349530028.db2.gz MAKKBMOOBCPGNR-CHWSQXEVSA-N 2 2 253.390 0.881 20 0 CCADLP CCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@@H]1CC[N@H+](C)C1 ZINC000617550158 365670113 /nfs/dbraw/zinc/67/01/13/365670113.db2.gz JWQCAZJREBBEHZ-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP CCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@@H]1CC[N@@H+](C)C1 ZINC000617550158 365670115 /nfs/dbraw/zinc/67/01/15/365670115.db2.gz JWQCAZJREBBEHZ-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP COC(=O)[C@]1(OC)CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000600191693 361886152 /nfs/dbraw/zinc/88/61/52/361886152.db2.gz KTSGODJSMJOLNQ-AWEZNQCLSA-N 2 2 296.371 0.250 20 0 CCADLP COC(=O)[C@]1(OC)CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000600191693 361886160 /nfs/dbraw/zinc/88/61/60/361886160.db2.gz KTSGODJSMJOLNQ-AWEZNQCLSA-N 2 2 296.371 0.250 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@@H]2CCC[NH2+]2)CCO1 ZINC000418368898 529391943 /nfs/dbraw/zinc/39/19/43/529391943.db2.gz NBPMRDLWKABXQI-QWHCGFSZSA-N 2 2 284.404 0.148 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H]2CCC[NH2+]2)CCO1 ZINC000418368898 529391945 /nfs/dbraw/zinc/39/19/45/529391945.db2.gz NBPMRDLWKABXQI-QWHCGFSZSA-N 2 2 284.404 0.148 20 0 CCADLP CC[C@@H]1C[N@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@@H]1O ZINC000425342764 529398582 /nfs/dbraw/zinc/39/85/82/529398582.db2.gz ZYAKNRMCSOTRMR-PWSUYJOCSA-N 2 2 252.362 0.689 20 0 CCADLP CC[C@@H]1C[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@@H]1O ZINC000425342764 529398584 /nfs/dbraw/zinc/39/85/84/529398584.db2.gz ZYAKNRMCSOTRMR-PWSUYJOCSA-N 2 2 252.362 0.689 20 0 CCADLP CN(C)S(=O)(=O)CC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339429540 282157217 /nfs/dbraw/zinc/15/72/17/282157217.db2.gz UUKBAEAEYXAFIW-CYBMUJFWSA-N 2 2 289.445 0.296 20 0 CCADLP CN(C)S(=O)(=O)CC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339429540 282157221 /nfs/dbraw/zinc/15/72/21/282157221.db2.gz UUKBAEAEYXAFIW-CYBMUJFWSA-N 2 2 289.445 0.296 20 0 CCADLP CN(C)S(=O)(=O)CC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339429540 282157225 /nfs/dbraw/zinc/15/72/25/282157225.db2.gz UUKBAEAEYXAFIW-CYBMUJFWSA-N 2 2 289.445 0.296 20 0 CCADLP CN(C)S(=O)(=O)CC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339429540 282157229 /nfs/dbraw/zinc/15/72/29/282157229.db2.gz UUKBAEAEYXAFIW-CYBMUJFWSA-N 2 2 289.445 0.296 20 0 CCADLP CC[C@H]([NH3+])C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000423934599 529441806 /nfs/dbraw/zinc/44/18/06/529441806.db2.gz ZMMBTXNOQGPEFE-NEPJUHHUSA-N 2 2 292.383 0.865 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000492320068 529559736 /nfs/dbraw/zinc/55/97/36/529559736.db2.gz OBUNCGJWHGGSGU-CFHLNLSMSA-N 2 2 291.399 0.278 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000492320068 529559737 /nfs/dbraw/zinc/55/97/37/529559737.db2.gz OBUNCGJWHGGSGU-CFHLNLSMSA-N 2 2 291.399 0.278 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000418717846 529560710 /nfs/dbraw/zinc/56/07/10/529560710.db2.gz HHBMPHTVJUKSSU-VXGBXAGGSA-N 2 2 272.393 0.134 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000418717846 529560711 /nfs/dbraw/zinc/56/07/11/529560711.db2.gz HHBMPHTVJUKSSU-VXGBXAGGSA-N 2 2 272.393 0.134 20 0 CCADLP CC1CCN(C(=O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000107579379 349738874 /nfs/dbraw/zinc/73/88/74/349738874.db2.gz RAILJPPPVCXSCZ-STQMWFEESA-N 2 2 251.374 0.396 20 0 CCADLP C[N@@H+]1CCC[C@H](CNC(=O)NCCn2cc[nH+]c2)C1 ZINC000108537136 349748314 /nfs/dbraw/zinc/74/83/14/349748314.db2.gz XNBANWNQEJVQJU-GFCCVEGCSA-N 2 2 265.361 0.524 20 0 CCADLP COC(=O)c1ccc(C[NH2+]CC2([NH3+])CCOCC2)o1 ZINC000600679188 362032016 /nfs/dbraw/zinc/03/20/16/362032016.db2.gz ZZXMWPRBGDKEFN-UHFFFAOYSA-N 2 2 268.313 0.664 20 0 CCADLP COC(=O)c1cnc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cn1 ZINC000600707594 362038512 /nfs/dbraw/zinc/03/85/12/362038512.db2.gz BXMZPQSTVJTJPY-NHYWBVRUSA-N 2 2 290.367 0.824 20 0 CCADLP COC(=O)c1cnc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cn1 ZINC000600707594 362038521 /nfs/dbraw/zinc/03/85/21/362038521.db2.gz BXMZPQSTVJTJPY-NHYWBVRUSA-N 2 2 290.367 0.824 20 0 CCADLP COC(=O)c1cnc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000600707349 362038896 /nfs/dbraw/zinc/03/88/96/362038896.db2.gz AYOQIMMSDBNSJH-MNOVXSKESA-N 2 2 278.356 0.680 20 0 CCADLP COC(=O)c1cnc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cn1 ZINC000600707349 362038900 /nfs/dbraw/zinc/03/89/00/362038900.db2.gz AYOQIMMSDBNSJH-MNOVXSKESA-N 2 2 278.356 0.680 20 0 CCADLP CCC(CC)[C@@H](C(=O)N1CC[NH2+][C@@H](C)C1)[NH+]1CCOCC1 ZINC000155152598 282221218 /nfs/dbraw/zinc/22/12/18/282221218.db2.gz QYBKGRWEZMBQPB-ZFWWWQNUSA-N 2 2 297.443 0.944 20 0 CCADLP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H]1CCOC1 ZINC000132130395 136389543 /nfs/dbraw/zinc/38/95/43/136389543.db2.gz OVEJUXDYMPJJJX-AWEZNQCLSA-N 2 2 291.399 0.449 20 0 CCADLP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H]1CCOC1 ZINC000132130395 136389544 /nfs/dbraw/zinc/38/95/44/136389544.db2.gz OVEJUXDYMPJJJX-AWEZNQCLSA-N 2 2 291.399 0.449 20 0 CCADLP C[C@H](CCNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)[NH+](C)C ZINC000617760639 365763229 /nfs/dbraw/zinc/76/32/29/365763229.db2.gz CGIHGQHZHZPIGA-MNOVXSKESA-N 2 2 264.373 0.971 20 0 CCADLP C[C@H](CCNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)[NH+](C)C ZINC000617760639 365763236 /nfs/dbraw/zinc/76/32/36/365763236.db2.gz CGIHGQHZHZPIGA-MNOVXSKESA-N 2 2 264.373 0.971 20 0 CCADLP C[C@@H]1COCC[C@@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764842 365768207 /nfs/dbraw/zinc/76/82/07/365768207.db2.gz IXVWRVHMDBAZFF-KGLIPLIRSA-N 2 2 285.432 0.659 20 0 CCADLP C[C@@H]1COCC[C@@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764842 365768217 /nfs/dbraw/zinc/76/82/17/365768217.db2.gz IXVWRVHMDBAZFF-KGLIPLIRSA-N 2 2 285.432 0.659 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH+](C)CCC[NH+](C)C ZINC000617766483 365772781 /nfs/dbraw/zinc/77/27/81/365772781.db2.gz MDRWHGFGCVEORW-GASCZTMLSA-N 3 2 298.475 0.859 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH+](C)CCC[NH+](C)C ZINC000617766483 365772783 /nfs/dbraw/zinc/77/27/83/365772783.db2.gz MDRWHGFGCVEORW-GASCZTMLSA-N 3 2 298.475 0.859 20 0 CCADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617766483 365772787 /nfs/dbraw/zinc/77/27/87/365772787.db2.gz MDRWHGFGCVEORW-GASCZTMLSA-N 3 2 298.475 0.859 20 0 CCADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617766483 365772791 /nfs/dbraw/zinc/77/27/91/365772791.db2.gz MDRWHGFGCVEORW-GASCZTMLSA-N 3 2 298.475 0.859 20 0 CCADLP Cc1c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cnn1C ZINC000617768130 365772830 /nfs/dbraw/zinc/77/28/30/365772830.db2.gz QBYQEZHXLQLTDW-UHFFFAOYSA-N 2 2 281.404 0.342 20 0 CCADLP Cc1c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cnn1C ZINC000617768130 365772835 /nfs/dbraw/zinc/77/28/35/365772835.db2.gz QBYQEZHXLQLTDW-UHFFFAOYSA-N 2 2 281.404 0.342 20 0 CCADLP CCc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)[nH]n1 ZINC000617767932 365772882 /nfs/dbraw/zinc/77/28/82/365772882.db2.gz ISECEYBPHTUCSU-UHFFFAOYSA-N 2 2 281.404 0.585 20 0 CCADLP CCc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)[nH]n1 ZINC000617767932 365772888 /nfs/dbraw/zinc/77/28/88/365772888.db2.gz ISECEYBPHTUCSU-UHFFFAOYSA-N 2 2 281.404 0.585 20 0 CCADLP Cn1cccc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617768334 365774113 /nfs/dbraw/zinc/77/41/13/365774113.db2.gz ZIAVJOFJNGFDBN-UHFFFAOYSA-N 2 2 266.389 0.638 20 0 CCADLP Cn1cccc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617768334 365774117 /nfs/dbraw/zinc/77/41/17/365774117.db2.gz ZIAVJOFJNGFDBN-UHFFFAOYSA-N 2 2 266.389 0.638 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@@H]1CCCO1 ZINC000617767003 365774125 /nfs/dbraw/zinc/77/41/25/365774125.db2.gz CFURYQGVBSXJCF-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@@H]1CCCO1 ZINC000617767003 365774126 /nfs/dbraw/zinc/77/41/26/365774126.db2.gz CFURYQGVBSXJCF-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1n[nH]c2c1CCC2 ZINC000617767138 365774328 /nfs/dbraw/zinc/77/43/28/365774328.db2.gz IIPRNDYTAVZMDN-UHFFFAOYSA-N 2 2 293.415 0.512 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1n[nH]c2c1CCC2 ZINC000617767138 365774333 /nfs/dbraw/zinc/77/43/33/365774333.db2.gz IIPRNDYTAVZMDN-UHFFFAOYSA-N 2 2 293.415 0.512 20 0 CCADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)C3(C[NH3+])CCCC3)C[C@@H]21 ZINC000423932290 529784514 /nfs/dbraw/zinc/78/45/14/529784514.db2.gz OEGZFEQATDTNED-QWHCGFSZSA-N 2 2 281.400 0.437 20 0 CCADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)C3(C[NH3+])CCCC3)C[C@@H]21 ZINC000423932290 529784515 /nfs/dbraw/zinc/78/45/15/529784515.db2.gz OEGZFEQATDTNED-QWHCGFSZSA-N 2 2 281.400 0.437 20 0 CCADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)C[NH2+]CC2CC2)C1 ZINC000423872016 529788393 /nfs/dbraw/zinc/78/83/93/529788393.db2.gz QDBJGQJQDMJDKM-HNNXBMFYSA-N 2 2 295.427 0.555 20 0 CCADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)C[NH2+]CC2CC2)C1 ZINC000423872016 529788394 /nfs/dbraw/zinc/78/83/94/529788394.db2.gz QDBJGQJQDMJDKM-HNNXBMFYSA-N 2 2 295.427 0.555 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(c3cc(N4CCOCC4)[nH+]cn3)C[C@@H]21 ZINC000450777545 529798927 /nfs/dbraw/zinc/79/89/27/529798927.db2.gz KBTADGUNLFRUCD-OLZOCXBDSA-N 2 2 289.383 0.454 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(c3cc(N4CCOCC4)[nH+]cn3)C[C@@H]21 ZINC000450777545 529798929 /nfs/dbraw/zinc/79/89/29/529798929.db2.gz KBTADGUNLFRUCD-OLZOCXBDSA-N 2 2 289.383 0.454 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)c1ccnc(C[NH3+])c1 ZINC000361613411 529814667 /nfs/dbraw/zinc/81/46/67/529814667.db2.gz ZYVQBEKUTXZFBE-UHFFFAOYSA-N 2 2 285.351 0.931 20 0 CCADLP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428050326 529860386 /nfs/dbraw/zinc/86/03/86/529860386.db2.gz BARGQEMEVVSEIB-OLZOCXBDSA-N 2 2 251.374 0.539 20 0 CCADLP CN(CC1CC1)C(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428050326 529860387 /nfs/dbraw/zinc/86/03/87/529860387.db2.gz BARGQEMEVVSEIB-OLZOCXBDSA-N 2 2 251.374 0.539 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H](O)C1CCC1 ZINC000449886080 529903694 /nfs/dbraw/zinc/90/36/94/529903694.db2.gz GMDKPHKYECZVEZ-HNNXBMFYSA-N 2 2 297.443 0.632 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H](O)C1CCC1 ZINC000449886080 529903696 /nfs/dbraw/zinc/90/36/96/529903696.db2.gz GMDKPHKYECZVEZ-HNNXBMFYSA-N 2 2 297.443 0.632 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@H]([C@H](O)C(F)(F)F)C1)C1CC1 ZINC000451890359 529960304 /nfs/dbraw/zinc/96/03/04/529960304.db2.gz NDLWGQQSSIRWLF-DLOVCJGASA-N 2 2 296.333 0.687 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H]([C@H](O)C(F)(F)F)C1)C1CC1 ZINC000451890359 529960305 /nfs/dbraw/zinc/96/03/05/529960305.db2.gz NDLWGQQSSIRWLF-DLOVCJGASA-N 2 2 296.333 0.687 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1)C1CC1 ZINC000451890359 529960306 /nfs/dbraw/zinc/96/03/06/529960306.db2.gz NDLWGQQSSIRWLF-DLOVCJGASA-N 2 2 296.333 0.687 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1)C1CC1 ZINC000451890359 529960307 /nfs/dbraw/zinc/96/03/07/529960307.db2.gz NDLWGQQSSIRWLF-DLOVCJGASA-N 2 2 296.333 0.687 20 0 CCADLP CN(C(=O)C[N@H+](C)C[C@@H](O)C[NH3+])C1CCCCC1 ZINC000336794973 282339423 /nfs/dbraw/zinc/33/94/23/282339423.db2.gz GZONCEJBZWUGSK-LBPRGKRZSA-N 2 2 257.378 0.029 20 0 CCADLP CN(C(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])C1CCCCC1 ZINC000336794973 282339426 /nfs/dbraw/zinc/33/94/26/282339426.db2.gz GZONCEJBZWUGSK-LBPRGKRZSA-N 2 2 257.378 0.029 20 0 CCADLP C[N@@H+](CC(=O)NC(=O)NC1CC1)C[C@H]1CCC[NH+](C)C1 ZINC000118841778 349909625 /nfs/dbraw/zinc/90/96/25/349909625.db2.gz GADHJQNVEDZWQX-NSHDSACASA-N 2 2 282.388 0.248 20 0 CCADLP C[N@H+](CC(=O)NC(=O)NC1CC1)C[C@H]1CCC[NH+](C)C1 ZINC000118841778 349909628 /nfs/dbraw/zinc/90/96/28/349909628.db2.gz GADHJQNVEDZWQX-NSHDSACASA-N 2 2 282.388 0.248 20 0 CCADLP C[NH+](CC(=O)NC(=O)NC1CC1)C[C@H]1CCC[N@H+](C)C1 ZINC000118841778 349909630 /nfs/dbraw/zinc/90/96/30/349909630.db2.gz GADHJQNVEDZWQX-NSHDSACASA-N 2 2 282.388 0.248 20 0 CCADLP C[NH+](CC(=O)NC(=O)NC1CC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118841778 349909632 /nfs/dbraw/zinc/90/96/32/349909632.db2.gz GADHJQNVEDZWQX-NSHDSACASA-N 2 2 282.388 0.248 20 0 CCADLP C[C@@H](O)CNc1cc(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)nc[nH+]1 ZINC000298863225 232006111 /nfs/dbraw/zinc/00/61/11/232006111.db2.gz JQUUAOMRSPXQKV-GRYCIOLGSA-N 2 2 279.388 0.798 20 0 CCADLP C[C@@H](O)CNc1cc(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)nc[nH+]1 ZINC000298863225 232006114 /nfs/dbraw/zinc/00/61/14/232006114.db2.gz JQUUAOMRSPXQKV-GRYCIOLGSA-N 2 2 279.388 0.798 20 0 CCADLP C[NH+]1CCN(C(=O)CC[NH2+]C(C)(C)C[NH+]2CCCC2)CC1 ZINC000452096127 530067827 /nfs/dbraw/zinc/06/78/27/530067827.db2.gz MVAYYKUSBGEPRQ-UHFFFAOYSA-N 3 2 296.459 0.615 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358476858 232109385 /nfs/dbraw/zinc/10/93/85/232109385.db2.gz JSYZZHJWNFDGBL-ZDUSSCGKSA-N 2 2 264.329 0.000 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358476858 232109386 /nfs/dbraw/zinc/10/93/86/232109386.db2.gz JSYZZHJWNFDGBL-ZDUSSCGKSA-N 2 2 264.329 0.000 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](C)[NH+](C)C)C[C@H]1C ZINC000602127866 362508283 /nfs/dbraw/zinc/50/82/83/362508283.db2.gz AJGUANREUJFFMR-VXGBXAGGSA-N 2 2 285.388 0.032 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](C)[NH+](C)C)C[C@H]1C ZINC000602127866 362508291 /nfs/dbraw/zinc/50/82/91/362508291.db2.gz AJGUANREUJFFMR-VXGBXAGGSA-N 2 2 285.388 0.032 20 0 CCADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244873 412520769 /nfs/dbraw/zinc/52/07/69/412520769.db2.gz XDUOPDBPJVRKIY-UPJWGTAASA-N 2 2 294.399 0.956 20 0 CCADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244873 412520772 /nfs/dbraw/zinc/52/07/72/412520772.db2.gz XDUOPDBPJVRKIY-UPJWGTAASA-N 2 2 294.399 0.956 20 0 CCADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244873 412520776 /nfs/dbraw/zinc/52/07/76/412520776.db2.gz XDUOPDBPJVRKIY-UPJWGTAASA-N 2 2 294.399 0.956 20 0 CCADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244873 412520779 /nfs/dbraw/zinc/52/07/79/412520779.db2.gz XDUOPDBPJVRKIY-UPJWGTAASA-N 2 2 294.399 0.956 20 0 CCADLP Cc1ncc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[nH]1 ZINC000602330030 362588902 /nfs/dbraw/zinc/58/89/02/362588902.db2.gz BLSVYAXANCTRQA-GFCCVEGCSA-N 2 2 291.399 0.616 20 0 CCADLP Cc1ncc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[nH]1 ZINC000602330030 362588909 /nfs/dbraw/zinc/58/89/09/362588909.db2.gz BLSVYAXANCTRQA-GFCCVEGCSA-N 2 2 291.399 0.616 20 0 CCADLP C[C@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[C@H](C)[NH+]1CCOCC1 ZINC000333361306 299120835 /nfs/dbraw/zinc/12/08/35/299120835.db2.gz LCWQWNCJQKYQIB-FQUUOJAGSA-N 2 2 296.415 0.099 20 0 CCADLP COC(=O)c1cc(C[NH2+][C@H](C)Cn2cc[nH+]c2)on1 ZINC000602513007 362651737 /nfs/dbraw/zinc/65/17/37/362651737.db2.gz YWCGLQUFGMQSGC-SECBINFHSA-N 2 2 264.285 0.836 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCN2CCNC2=O)C1 ZINC000367377339 232326326 /nfs/dbraw/zinc/32/63/26/232326326.db2.gz JKFPEIPBCCXIRD-GFCCVEGCSA-N 2 2 277.372 0.625 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCN2CCNC2=O)C1 ZINC000367377339 232326333 /nfs/dbraw/zinc/32/63/33/232326333.db2.gz JKFPEIPBCCXIRD-GFCCVEGCSA-N 2 2 277.372 0.625 20 0 CCADLP COC(=O)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000119614182 349944401 /nfs/dbraw/zinc/94/44/01/349944401.db2.gz DOKXXPXGCLEXJU-UHFFFAOYSA-N 2 2 297.399 0.036 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC[NH+]1CCC1 ZINC000533090153 290780977 /nfs/dbraw/zinc/78/09/77/290780977.db2.gz FOMKLQHYJTUXNB-NSHDSACASA-N 2 2 251.334 0.277 20 0 CCADLP CCN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@H+](CC)C1 ZINC000617925468 365840497 /nfs/dbraw/zinc/84/04/97/365840497.db2.gz MFIWFSNPPMZOHK-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP CCN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@@H+](CC)C1 ZINC000617925468 365840500 /nfs/dbraw/zinc/84/05/00/365840500.db2.gz MFIWFSNPPMZOHK-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP O[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000631742458 370652237 /nfs/dbraw/zinc/65/22/37/370652237.db2.gz VMFNOFTZYFGSFK-RDBSUJKOSA-N 2 2 254.374 0.743 20 0 CCADLP C[NH+](C)Cc1ccc(C(=O)NCc2[nH]cc[nH+]2)cn1 ZINC000339271562 215055397 /nfs/dbraw/zinc/05/53/97/215055397.db2.gz LSJHRNMBJVXAGU-UHFFFAOYSA-N 2 2 259.313 0.796 20 0 CCADLP Cn1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cn1 ZINC000252668704 137003826 /nfs/dbraw/zinc/00/38/26/137003826.db2.gz ZVKKIZOPFWDHFM-QWHCGFSZSA-N 2 2 250.346 0.373 20 0 CCADLP Cn1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cn1 ZINC000252668704 137003827 /nfs/dbraw/zinc/00/38/27/137003827.db2.gz ZVKKIZOPFWDHFM-QWHCGFSZSA-N 2 2 250.346 0.373 20 0 CCADLP Cc1ncc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)s1 ZINC000257747513 137005458 /nfs/dbraw/zinc/00/54/58/137005458.db2.gz UFWHMODIKGHNSJ-GFCCVEGCSA-N 2 2 266.414 0.931 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261572501 137009207 /nfs/dbraw/zinc/00/92/07/137009207.db2.gz AFOHTVMKXLAFOS-CYBMUJFWSA-N 2 2 270.377 0.139 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261572501 137009208 /nfs/dbraw/zinc/00/92/08/137009208.db2.gz AFOHTVMKXLAFOS-CYBMUJFWSA-N 2 2 270.377 0.139 20 0 CCADLP CC(C)Cc1noc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)n1 ZINC000261597070 137011205 /nfs/dbraw/zinc/01/12/05/137011205.db2.gz AMIWHURPINFDLM-ZDUSSCGKSA-N 2 2 293.415 0.748 20 0 CCADLP CC(C)Cc1noc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)n1 ZINC000261597070 137011206 /nfs/dbraw/zinc/01/12/06/137011206.db2.gz AMIWHURPINFDLM-ZDUSSCGKSA-N 2 2 293.415 0.748 20 0 CCADLP CCC(CC)[C@@H](C(=O)NC1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000262516810 137045773 /nfs/dbraw/zinc/04/57/73/137045773.db2.gz SSXSZLFPARQJNG-HNNXBMFYSA-N 2 2 297.443 0.992 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000262660926 137049539 /nfs/dbraw/zinc/04/95/39/137049539.db2.gz GBCWLIHQECTDCQ-NSHDSACASA-N 2 2 250.346 0.765 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262917280 137055432 /nfs/dbraw/zinc/05/54/32/137055432.db2.gz GKMWFZNFXVGOON-RKDXNWHRSA-N 2 2 258.272 0.385 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262950825 137056035 /nfs/dbraw/zinc/05/60/35/137056035.db2.gz JOVRSOSKAWWUBS-VIFPVBQESA-N 2 2 258.272 0.305 20 0 CCADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3nnnn3-c3ccccc3)C[C@@H]12 ZINC000261690767 137015725 /nfs/dbraw/zinc/01/57/25/137015725.db2.gz NIGUFWKPNQKLKG-IACUBPJLSA-N 2 2 284.367 0.831 20 0 CCADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3nnnn3-c3ccccc3)C[C@@H]12 ZINC000261690767 137015726 /nfs/dbraw/zinc/01/57/26/137015726.db2.gz NIGUFWKPNQKLKG-IACUBPJLSA-N 2 2 284.367 0.831 20 0 CCADLP C[C@H](C(=O)NC1CCCC1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261704210 137016233 /nfs/dbraw/zinc/01/62/33/137016233.db2.gz OOQGXQZBBFUMFW-HIFRSBDPSA-N 2 2 294.443 0.413 20 0 CCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261713076 137016913 /nfs/dbraw/zinc/01/69/13/137016913.db2.gz PJDPOEIACZEMAG-LSDHHAIUSA-N 2 2 294.443 0.367 20 0 CCADLP O=C(CC[C@@H]1CC[NH2+]C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000261721098 137016930 /nfs/dbraw/zinc/01/69/30/137016930.db2.gz FBSABJVHKGZARA-CABCVRRESA-N 2 2 295.427 0.699 20 0 CCADLP CC(C)N(C(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)C(C)C ZINC000261765022 137018758 /nfs/dbraw/zinc/01/87/58/137018758.db2.gz VIECYYWVPONNCO-HNNXBMFYSA-N 2 2 296.459 0.611 20 0 CCADLP Cn1ccnc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261837843 137022000 /nfs/dbraw/zinc/02/20/00/137022000.db2.gz AEGYVZFOMHUEGH-YNEHKIRRSA-N 2 2 264.373 0.667 20 0 CCADLP C[C@H](CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])[NH+]1CCN(C)CC1 ZINC000261887875 137024084 /nfs/dbraw/zinc/02/40/84/137024084.db2.gz UWOULRDWFFSUCG-HZSPNIEDSA-N 2 2 282.432 0.256 20 0 CCADLP [NH3+]C1(C(=O)NCc2ccn3cc[nH+]c3c2)CCOCC1 ZINC000261933215 137026456 /nfs/dbraw/zinc/02/64/56/137026456.db2.gz WNJSPMHUYBEQMW-UHFFFAOYSA-N 2 2 274.324 0.458 20 0 CCADLP C[C@H]1C[N@H+](Cc2ccccc2OCC(=O)N(C)C)C[C@@H]1[NH3+] ZINC000262009273 137028357 /nfs/dbraw/zinc/02/83/57/137028357.db2.gz MENZLLXMZTZDLE-JSGCOSHPSA-N 2 2 291.395 0.933 20 0 CCADLP C[C@H]1C[N@@H+](Cc2ccccc2OCC(=O)N(C)C)C[C@@H]1[NH3+] ZINC000262009273 137028358 /nfs/dbraw/zinc/02/83/58/137028358.db2.gz MENZLLXMZTZDLE-JSGCOSHPSA-N 2 2 291.395 0.933 20 0 CCADLP COC[C@H]([NH3+])C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000262224452 137031999 /nfs/dbraw/zinc/03/19/99/137031999.db2.gz FXXUBYCQZKNOPM-JTQLQIEISA-N 2 2 280.372 0.402 20 0 CCADLP O=C(C1C[NH2+]C1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000262233647 137032589 /nfs/dbraw/zinc/03/25/89/137032589.db2.gz MPUDASCIJODTLF-UHFFFAOYSA-N 2 2 289.379 0.429 20 0 CCADLP C[NH+](C)C1(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CCOCC1 ZINC000263264728 137062177 /nfs/dbraw/zinc/06/21/77/137062177.db2.gz RKUICUXAZIGLPQ-JTQLQIEISA-N 2 2 291.342 0.211 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C[C@H]1C ZINC000263308114 137063843 /nfs/dbraw/zinc/06/38/43/137063843.db2.gz YDMAAZQDTSCAEI-GHMZBOCLSA-N 2 2 291.342 0.163 20 0 CCADLP COCC[N@H+]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C[C@H]1C ZINC000263308114 137063844 /nfs/dbraw/zinc/06/38/44/137063844.db2.gz YDMAAZQDTSCAEI-GHMZBOCLSA-N 2 2 291.342 0.163 20 0 CCADLP COc1cccc(NC(=O)CC[N@H+](CC[NH3+])CCO)c1 ZINC000342386079 137090954 /nfs/dbraw/zinc/09/09/54/137090954.db2.gz LGYPQRLTVDYNBP-UHFFFAOYSA-N 2 2 281.356 0.277 20 0 CCADLP COc1cccc(NC(=O)CC[N@@H+](CC[NH3+])CCO)c1 ZINC000342386079 137090955 /nfs/dbraw/zinc/09/09/55/137090955.db2.gz LGYPQRLTVDYNBP-UHFFFAOYSA-N 2 2 281.356 0.277 20 0 CCADLP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)N2CCCC2)CC1 ZINC000343505218 137139124 /nfs/dbraw/zinc/13/91/24/137139124.db2.gz MOCZCCMVZILLON-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP COC(=O)C[N@H+](CCN1CC[NH+](C)CC1)CC1CC1 ZINC000343600004 137144849 /nfs/dbraw/zinc/14/48/49/137144849.db2.gz IRZBLHYCVBQKPG-UHFFFAOYSA-N 2 2 269.389 0.119 20 0 CCADLP COC(=O)C[N@@H+](CCN1CC[NH+](C)CC1)CC1CC1 ZINC000343600004 137144850 /nfs/dbraw/zinc/14/48/50/137144850.db2.gz IRZBLHYCVBQKPG-UHFFFAOYSA-N 2 2 269.389 0.119 20 0 CCADLP [NH3+]CC1CCC(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000343647523 137147249 /nfs/dbraw/zinc/14/72/49/137147249.db2.gz ULJJBLKWQUGPDV-ILDUYXDCSA-N 2 2 275.343 0.865 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@]1(N2CCOCC2)CCSC1 ZINC000343696132 137149866 /nfs/dbraw/zinc/14/98/66/137149866.db2.gz RFRSVEBPQQNISX-RBSFLKMASA-N 2 2 299.484 0.734 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@]1(N2CCOCC2)CCSC1 ZINC000343696132 137149867 /nfs/dbraw/zinc/14/98/67/137149867.db2.gz RFRSVEBPQQNISX-RBSFLKMASA-N 2 2 299.484 0.734 20 0 CCADLP NC(=O)[C@H]1CCO[C@@H]1C1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000343822420 137159800 /nfs/dbraw/zinc/15/98/00/137159800.db2.gz IRKISYJVWRMMBF-UONOGXRCSA-N 2 2 292.383 0.486 20 0 CCADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000343878501 137163760 /nfs/dbraw/zinc/16/37/60/137163760.db2.gz XLVKGSLFQJMKCC-CYBMUJFWSA-N 2 2 291.399 0.064 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CCC[NH+](C)[C@@H]1C ZINC000343880180 137163911 /nfs/dbraw/zinc/16/39/11/137163911.db2.gz XZJGUMXVDMAQFZ-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CCC[NH+](C)[C@@H]1C ZINC000343880180 137163912 /nfs/dbraw/zinc/16/39/12/137163912.db2.gz XZJGUMXVDMAQFZ-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000343880180 137163913 /nfs/dbraw/zinc/16/39/13/137163913.db2.gz XZJGUMXVDMAQFZ-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000343880180 137163914 /nfs/dbraw/zinc/16/39/14/137163914.db2.gz XZJGUMXVDMAQFZ-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCCCNC1=O ZINC000120261119 349977498 /nfs/dbraw/zinc/97/74/98/349977498.db2.gz PTIULMPAHSDBLT-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCCCNC1=O ZINC000120261119 349977502 /nfs/dbraw/zinc/97/75/02/349977502.db2.gz PTIULMPAHSDBLT-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP CCC[N@H+](CCN1CC[NH+](CC)CC1)[C@@H](C)C(=O)OC ZINC000344129981 137179246 /nfs/dbraw/zinc/17/92/46/137179246.db2.gz MEJMLNUIHYKOND-AWEZNQCLSA-N 2 2 285.432 0.897 20 0 CCADLP CCC[N@@H+](CCN1CC[NH+](CC)CC1)[C@@H](C)C(=O)OC ZINC000344129981 137179247 /nfs/dbraw/zinc/17/92/47/137179247.db2.gz MEJMLNUIHYKOND-AWEZNQCLSA-N 2 2 285.432 0.897 20 0 CCADLP C[C@@H]1C[C@H](C(=O)NC[C@H]2C[NH+](C3CC3)CCO2)CC[N@@H+]1C ZINC000343339523 137129508 /nfs/dbraw/zinc/12/95/08/137129508.db2.gz DSFZUKJJKYJQHY-NFAWXSAZSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H]1C[C@H](C(=O)NC[C@H]2C[NH+](C3CC3)CCO2)CC[N@H+]1C ZINC000343339523 137129509 /nfs/dbraw/zinc/12/95/09/137129509.db2.gz DSFZUKJJKYJQHY-NFAWXSAZSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H]1C[C@H](C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC[NH+]1C ZINC000343339523 137129510 /nfs/dbraw/zinc/12/95/10/137129510.db2.gz DSFZUKJJKYJQHY-NFAWXSAZSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H]1C[C@H](C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC[NH+]1C ZINC000343339523 137129511 /nfs/dbraw/zinc/12/95/11/137129511.db2.gz DSFZUKJJKYJQHY-NFAWXSAZSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC1=CC[N@H+](C)CC1 ZINC000343412972 137132668 /nfs/dbraw/zinc/13/26/68/137132668.db2.gz PUOYWOOIXMIXLG-CYBMUJFWSA-N 2 2 296.415 0.268 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000343412972 137132669 /nfs/dbraw/zinc/13/26/69/137132669.db2.gz PUOYWOOIXMIXLG-CYBMUJFWSA-N 2 2 296.415 0.268 20 0 CCADLP O=C([C@H]1CCCC[NH2+]1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000013479558 348026029 /nfs/dbraw/zinc/02/60/29/348026029.db2.gz OGWMZJGJKKFPMX-OAHLLOKOSA-N 2 2 288.395 0.868 20 0 CCADLP c1cn([C@H]2COC[C@H]2[NH2+]Cc2cccc3[nH+]ccn32)nn1 ZINC000344501710 137198018 /nfs/dbraw/zinc/19/80/18/137198018.db2.gz VGFQQARMCHWREV-OLZOCXBDSA-N 2 2 284.323 0.656 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC000344771601 137212331 /nfs/dbraw/zinc/21/23/31/137212331.db2.gz YNRFGECZXJZUDC-SMDDNHRTSA-N 2 2 277.368 0.590 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC000344771601 137212332 /nfs/dbraw/zinc/21/23/32/137212332.db2.gz YNRFGECZXJZUDC-SMDDNHRTSA-N 2 2 277.368 0.590 20 0 CCADLP C[C@H]1CN(C(=O)C[N@H+](C)C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000036300662 348165932 /nfs/dbraw/zinc/16/59/32/348165932.db2.gz GYAXIXFSHBTBJY-RYUDHWBXSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@H]1CN(C(=O)C[N@@H+](C)C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000036300662 348165934 /nfs/dbraw/zinc/16/59/34/348165934.db2.gz GYAXIXFSHBTBJY-RYUDHWBXSA-N 2 2 269.389 0.306 20 0 CCADLP COc1ccccc1CNC(=O)C[NH+]1CCC([NH3+])CC1 ZINC000036753840 348169401 /nfs/dbraw/zinc/16/94/01/348169401.db2.gz QNYIFNCRMWBLFO-UHFFFAOYSA-N 2 2 277.368 0.735 20 0 CCADLP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C[NH+]1CCCC1 ZINC000037904544 348217914 /nfs/dbraw/zinc/21/79/14/348217914.db2.gz RGNJPMHRBHMDDD-DZGCQCFKSA-N 3 2 267.417 0.517 20 0 CCADLP O[C@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C[NH+]1CCCC1 ZINC000037904544 348217918 /nfs/dbraw/zinc/21/79/18/348217918.db2.gz RGNJPMHRBHMDDD-DZGCQCFKSA-N 3 2 267.417 0.517 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918130 348219107 /nfs/dbraw/zinc/21/91/07/348219107.db2.gz YVQRYUWHYTVSLZ-SRVKXCTJSA-N 2 2 282.388 0.295 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918130 348219108 /nfs/dbraw/zinc/21/91/08/348219108.db2.gz YVQRYUWHYTVSLZ-SRVKXCTJSA-N 2 2 282.388 0.295 20 0 CCADLP CC(C)CC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000339410867 215154199 /nfs/dbraw/zinc/15/41/99/215154199.db2.gz YFXCGWGYFQENHG-CYBMUJFWSA-N 2 2 253.390 0.929 20 0 CCADLP CC(C)CC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000339410867 215154201 /nfs/dbraw/zinc/15/42/01/215154201.db2.gz YFXCGWGYFQENHG-CYBMUJFWSA-N 2 2 253.390 0.929 20 0 CCADLP C[C@H](O)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000346090477 137266634 /nfs/dbraw/zinc/26/66/34/137266634.db2.gz WGJNOMMXSYOIQJ-ZDUSSCGKSA-N 2 2 283.416 0.434 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC(F)C2)CC1 ZINC000345643768 137244020 /nfs/dbraw/zinc/24/40/20/137244020.db2.gz RPFFGRMHFYPVGR-UHFFFAOYSA-N 2 2 272.368 0.376 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000346274293 137276423 /nfs/dbraw/zinc/27/64/23/137276423.db2.gz PXBJBBPKZXEYNI-AGIUHOORSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000346274293 137276424 /nfs/dbraw/zinc/27/64/24/137276424.db2.gz PXBJBBPKZXEYNI-AGIUHOORSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000043588505 348310543 /nfs/dbraw/zinc/31/05/43/348310543.db2.gz VQUIVYDQVHASAK-UONOGXRCSA-N 2 2 283.416 0.603 20 0 CCADLP O=C(NCCCCn1cc[nH+]c1)[C@@H]1CCC[NH2+]C1 ZINC000045109158 348333678 /nfs/dbraw/zinc/33/36/78/348333678.db2.gz NWUGQQPEWMHBQF-GFCCVEGCSA-N 2 2 250.346 0.779 20 0 CCADLP Cc1ncc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c(=O)[nH]1 ZINC000346807800 137305298 /nfs/dbraw/zinc/30/52/98/137305298.db2.gz MJEJBOHZSBWVPY-JOYOIKCWSA-N 2 2 250.346 0.920 20 0 CCADLP Cc1ncc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c(=O)[nH]1 ZINC000346807800 137305299 /nfs/dbraw/zinc/30/52/99/137305299.db2.gz MJEJBOHZSBWVPY-JOYOIKCWSA-N 2 2 250.346 0.920 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cnc(N(C)C)nc2)C1 ZINC000347151581 137322747 /nfs/dbraw/zinc/32/27/47/137322747.db2.gz BFEUIDREJHEZRQ-LBPRGKRZSA-N 2 2 263.389 0.974 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cnc(N(C)C)nc2)C1 ZINC000347151581 137322748 /nfs/dbraw/zinc/32/27/48/137322748.db2.gz BFEUIDREJHEZRQ-LBPRGKRZSA-N 2 2 263.389 0.974 20 0 CCADLP C[C@H](Cn1cccn1)[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000347481627 137338667 /nfs/dbraw/zinc/33/86/67/137338667.db2.gz JWLCABAXTMZQBV-UONOGXRCSA-N 2 2 266.389 0.972 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C)CC2(C)C)C1 ZINC000347485772 137339102 /nfs/dbraw/zinc/33/91/02/137339102.db2.gz PEQQBYSLUXPWLL-LBPRGKRZSA-N 2 2 269.389 0.260 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C)CC2(C)C)C1 ZINC000347485772 137339103 /nfs/dbraw/zinc/33/91/03/137339103.db2.gz PEQQBYSLUXPWLL-LBPRGKRZSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@H+](C)CC2(C)C)C1 ZINC000347485772 137339104 /nfs/dbraw/zinc/33/91/04/137339104.db2.gz PEQQBYSLUXPWLL-LBPRGKRZSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](C)CC2(C)C)C1 ZINC000347485772 137339105 /nfs/dbraw/zinc/33/91/05/137339105.db2.gz PEQQBYSLUXPWLL-LBPRGKRZSA-N 2 2 269.389 0.260 20 0 CCADLP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(CC[NH+]2CCOCC2)C1 ZINC000348023067 137369751 /nfs/dbraw/zinc/36/97/51/137369751.db2.gz UXFIGUYNRPZJRG-HZPDHXFCSA-N 2 2 297.443 0.504 20 0 CCADLP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000050463802 348476316 /nfs/dbraw/zinc/47/63/16/348476316.db2.gz BZWZNDABDQMRTQ-QWHCGFSZSA-N 2 2 260.341 0.073 20 0 CCADLP CC[N@@H+]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC000684466931 545676148 /nfs/dbraw/zinc/67/61/48/545676148.db2.gz VXVFIAWHOFOXIK-LLVKDONJSA-N 2 2 250.346 0.895 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000050802875 348478887 /nfs/dbraw/zinc/47/88/87/348478887.db2.gz ODMOUOFVKXIZCN-HNNXBMFYSA-N 2 2 295.427 0.840 20 0 CCADLP CC[N@H+]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC000684466931 545676151 /nfs/dbraw/zinc/67/61/51/545676151.db2.gz VXVFIAWHOFOXIK-LLVKDONJSA-N 2 2 250.346 0.895 20 0 CCADLP CC[N@@H+]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC000684466931 545676156 /nfs/dbraw/zinc/67/61/56/545676156.db2.gz VXVFIAWHOFOXIK-LLVKDONJSA-N 2 2 250.346 0.895 20 0 CCADLP CC[N@H+]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC000684466931 545676161 /nfs/dbraw/zinc/67/61/61/545676161.db2.gz VXVFIAWHOFOXIK-LLVKDONJSA-N 2 2 250.346 0.895 20 0 CCADLP CCOC(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051958874 348501264 /nfs/dbraw/zinc/50/12/64/348501264.db2.gz HEGGODFGIIYCEW-UHFFFAOYSA-N 2 2 270.373 0.594 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000061757915 348659053 /nfs/dbraw/zinc/65/90/53/348659053.db2.gz NHLCLIQUVRHLRD-UHFFFAOYSA-N 2 2 291.395 0.771 20 0 CCADLP CC[C@]1(C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC[NH2+]C1 ZINC000062891872 348671551 /nfs/dbraw/zinc/67/15/51/348671551.db2.gz NWNKILXHSMQWJN-JSGCOSHPSA-N 2 2 269.389 0.213 20 0 CCADLP Cc1ncc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)s1 ZINC000062337139 348667480 /nfs/dbraw/zinc/66/74/80/348667480.db2.gz MLNNIOMWKJFLEM-UHFFFAOYSA-N 2 2 268.386 0.315 20 0 CCADLP Cc1ncc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)s1 ZINC000062337139 348667483 /nfs/dbraw/zinc/66/74/83/348667483.db2.gz MLNNIOMWKJFLEM-UHFFFAOYSA-N 2 2 268.386 0.315 20 0 CCADLP C[NH2+]CC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000063159557 348680068 /nfs/dbraw/zinc/68/00/68/348680068.db2.gz UTRKWABLNMGOQA-UHFFFAOYSA-N 2 2 250.346 0.731 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cnn(C)c1 ZINC000068802232 348822748 /nfs/dbraw/zinc/82/27/48/348822748.db2.gz SEBMRPARWXDUBJ-WCQYABFASA-N 2 2 251.378 0.317 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cnn(C)c1 ZINC000068802232 348822749 /nfs/dbraw/zinc/82/27/49/348822749.db2.gz SEBMRPARWXDUBJ-WCQYABFASA-N 2 2 251.378 0.317 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCCS(C)(=O)=O)n1C ZINC000070143759 348873343 /nfs/dbraw/zinc/87/33/43/348873343.db2.gz CJAHTDGGGMRBIF-UHFFFAOYSA-N 2 2 274.390 0.010 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070173862 348876879 /nfs/dbraw/zinc/87/68/79/348876879.db2.gz KGDNFMUUJAUEIW-VXGBXAGGSA-N 2 2 284.404 0.672 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070173862 348876881 /nfs/dbraw/zinc/87/68/81/348876881.db2.gz KGDNFMUUJAUEIW-VXGBXAGGSA-N 2 2 284.404 0.672 20 0 CCADLP c1cn(-c2cc(N3CC[NH+](C4CC4)CC3)ncn2)c[nH+]1 ZINC000077489635 349111378 /nfs/dbraw/zinc/11/13/78/349111378.db2.gz BKCYLOVELIRRQI-UHFFFAOYSA-N 2 2 270.340 0.947 20 0 CCADLP C[NH2+]CC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000082256442 349292900 /nfs/dbraw/zinc/29/29/00/349292900.db2.gz GUHRLRQJLSYAPW-LBPRGKRZSA-N 2 2 262.357 0.506 20 0 CCADLP C[NH2+]CC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000082256485 349292906 /nfs/dbraw/zinc/29/29/06/349292906.db2.gz ZDRWLXVHXLVECO-ZDUSSCGKSA-N 2 2 276.315 0.984 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000081338566 349258500 /nfs/dbraw/zinc/25/85/00/349258500.db2.gz DVBREEARFRGFNN-NWDGAFQWSA-N 2 2 278.356 0.446 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000081338566 349258502 /nfs/dbraw/zinc/25/85/02/349258502.db2.gz DVBREEARFRGFNN-NWDGAFQWSA-N 2 2 278.356 0.446 20 0 CCADLP CCC[N@H+](C)C[C@H]1CC[NH+](CCNS(C)(=O)=O)C1 ZINC000081573005 349276012 /nfs/dbraw/zinc/27/60/12/349276012.db2.gz BWVRCCVOLKZALS-GFCCVEGCSA-N 2 2 277.434 0.199 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CCNS(C)(=O)=O)C1 ZINC000081573005 349276014 /nfs/dbraw/zinc/27/60/14/349276014.db2.gz BWVRCCVOLKZALS-GFCCVEGCSA-N 2 2 277.434 0.199 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC000081573005 349276016 /nfs/dbraw/zinc/27/60/16/349276016.db2.gz BWVRCCVOLKZALS-GFCCVEGCSA-N 2 2 277.434 0.199 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000081573005 349276019 /nfs/dbraw/zinc/27/60/19/349276019.db2.gz BWVRCCVOLKZALS-GFCCVEGCSA-N 2 2 277.434 0.199 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000081799839 349283651 /nfs/dbraw/zinc/28/36/51/349283651.db2.gz XITMWUAVHYGGRH-CHWSQXEVSA-N 2 2 280.372 0.356 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000081799839 349283657 /nfs/dbraw/zinc/28/36/57/349283657.db2.gz XITMWUAVHYGGRH-CHWSQXEVSA-N 2 2 280.372 0.356 20 0 CCADLP CC1=CC[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000339660149 215287381 /nfs/dbraw/zinc/28/73/81/215287381.db2.gz SSZZTIFOBKYIPR-UHFFFAOYSA-N 2 2 295.427 0.865 20 0 CCADLP CC1=CC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000339660149 215287382 /nfs/dbraw/zinc/28/73/82/215287382.db2.gz SSZZTIFOBKYIPR-UHFFFAOYSA-N 2 2 295.427 0.865 20 0 CCADLP O=C(Nc1ccc(-n2cc[nH+]c2)nc1)[C@H]1COCC[NH2+]1 ZINC000088358710 349361939 /nfs/dbraw/zinc/36/19/39/349361939.db2.gz DXXFZEZZJYHOKI-LLVKDONJSA-N 2 2 273.296 0.194 20 0 CCADLP CCc1cc(NC2CC[NH+](CC(N)=O)CC2)nc(C)[nH+]1 ZINC000088760177 349371809 /nfs/dbraw/zinc/37/18/09/349371809.db2.gz RPVHXCKUTPNVGV-UHFFFAOYSA-N 2 2 277.372 0.709 20 0 CCADLP Cc1ncsc1C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000088870007 349374374 /nfs/dbraw/zinc/37/43/74/349374374.db2.gz IZJNKJBDTWTCFE-NSHDSACASA-N 2 2 254.403 0.787 20 0 CCADLP Cc1ncsc1C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000088870007 349374377 /nfs/dbraw/zinc/37/43/77/349374377.db2.gz IZJNKJBDTWTCFE-NSHDSACASA-N 2 2 254.403 0.787 20 0 CCADLP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)CN1CC[NH+](C)CC1 ZINC000120805122 350006972 /nfs/dbraw/zinc/00/69/72/350006972.db2.gz XOHLRBIKCBTZCM-PMPSAXMXSA-N 3 2 282.476 0.942 20 0 CCADLP C[N@@H+]1CCN(C(=O)C2C(C)(C)C2(C)C)[C@@H](C[NH3+])C1 ZINC000122582146 350066377 /nfs/dbraw/zinc/06/63/77/350066377.db2.gz JWYPBFZHYRZWKE-JTQLQIEISA-N 2 2 253.390 0.770 20 0 CCADLP C[N@H+]1CCN(C(=O)C2C(C)(C)C2(C)C)[C@@H](C[NH3+])C1 ZINC000122582146 350066379 /nfs/dbraw/zinc/06/63/79/350066379.db2.gz JWYPBFZHYRZWKE-JTQLQIEISA-N 2 2 253.390 0.770 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2ccc(Cl)cc2)[C@H](C[NH3+])C1 ZINC000122571779 350066572 /nfs/dbraw/zinc/06/65/72/350066572.db2.gz AVEPJKOVABHGFS-CYBMUJFWSA-N 2 2 281.787 0.984 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2ccc(Cl)cc2)[C@H](C[NH3+])C1 ZINC000122571779 350066575 /nfs/dbraw/zinc/06/65/75/350066575.db2.gz AVEPJKOVABHGFS-CYBMUJFWSA-N 2 2 281.787 0.984 20 0 CCADLP C[N@@H+]1CCN(C(=O)CC[C@@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000122660688 350067900 /nfs/dbraw/zinc/06/79/00/350067900.db2.gz SWOWPARCLSFDMW-RYUDHWBXSA-N 2 2 255.362 0.047 20 0 CCADLP C[N@H+]1CCN(C(=O)CC[C@@H]2CCCO2)[C@@H](C[NH3+])C1 ZINC000122660688 350067903 /nfs/dbraw/zinc/06/79/03/350067903.db2.gz SWOWPARCLSFDMW-RYUDHWBXSA-N 2 2 255.362 0.047 20 0 CCADLP C[N@@H+]1CCN(Cc2ccn(-c3ccccc3)n2)[C@H](C[NH3+])C1 ZINC000124455630 350098326 /nfs/dbraw/zinc/09/83/26/350098326.db2.gz WUHBVJDJUACEKK-MRXNPFEDSA-N 2 2 285.395 0.947 20 0 CCADLP C[N@H+]1CCN(Cc2ccn(-c3ccccc3)n2)[C@H](C[NH3+])C1 ZINC000124455630 350098327 /nfs/dbraw/zinc/09/83/27/350098327.db2.gz WUHBVJDJUACEKK-MRXNPFEDSA-N 2 2 285.395 0.947 20 0 CCADLP O=C(C[C@H]1CSCC[NH2+]1)N1CCn2cc[nH+]c2C1 ZINC000091291231 180123145 /nfs/dbraw/zinc/12/31/45/180123145.db2.gz FEZCBRYMHFFEHH-JTQLQIEISA-N 2 2 266.370 0.320 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N2CCC2)C[C@H]1n1cc[nH+]c1 ZINC000271307453 191065321 /nfs/dbraw/zinc/06/53/21/191065321.db2.gz QJWILYRUPHUMPZ-CHWSQXEVSA-N 2 2 262.357 0.998 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C[C@H]1n1cc[nH+]c1 ZINC000271307453 191065323 /nfs/dbraw/zinc/06/53/23/191065323.db2.gz QJWILYRUPHUMPZ-CHWSQXEVSA-N 2 2 262.357 0.998 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)C[N@@H+]1C1CC1 ZINC000128632521 350195415 /nfs/dbraw/zinc/19/54/15/350195415.db2.gz GENYYFSBRXHWIC-LSDHHAIUSA-N 3 2 280.460 0.839 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)C[N@H+]1C1CC1 ZINC000128632521 350195420 /nfs/dbraw/zinc/19/54/20/350195420.db2.gz GENYYFSBRXHWIC-LSDHHAIUSA-N 3 2 280.460 0.839 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCNC(=O)C2CC2)C[N@@H+]1C1CC1 ZINC000128345429 350190764 /nfs/dbraw/zinc/19/07/64/350190764.db2.gz SUHZIQZHBJDNRF-ZYHUDNBSSA-N 2 2 251.374 0.727 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCNC(=O)C2CC2)C[N@H+]1C1CC1 ZINC000128345429 350190768 /nfs/dbraw/zinc/19/07/68/350190768.db2.gz SUHZIQZHBJDNRF-ZYHUDNBSSA-N 2 2 251.374 0.727 20 0 CCADLP c1cnn(CC[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000129560145 350216681 /nfs/dbraw/zinc/21/66/81/350216681.db2.gz GRJIFSAUVVPFDV-AWEZNQCLSA-N 2 2 264.373 0.537 20 0 CCADLP c1cnn(CC[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000129560145 350216687 /nfs/dbraw/zinc/21/66/87/350216687.db2.gz GRJIFSAUVVPFDV-AWEZNQCLSA-N 2 2 264.373 0.537 20 0 CCADLP CCCCNC(=O)CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129332003 350211003 /nfs/dbraw/zinc/21/10/03/350211003.db2.gz REOFIJSTAFOZJN-OAHLLOKOSA-N 2 2 297.443 0.947 20 0 CCADLP CCCCNC(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129332003 350211006 /nfs/dbraw/zinc/21/10/06/350211006.db2.gz REOFIJSTAFOZJN-OAHLLOKOSA-N 2 2 297.443 0.947 20 0 CCADLP CC[C@@H]([NH3+])C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000130352037 350235919 /nfs/dbraw/zinc/23/59/19/350235919.db2.gz JODPOQZBRJKQNC-LLVKDONJSA-N 2 2 250.346 0.615 20 0 CCADLP CC[N@H+](C)CCNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000105197667 186045766 /nfs/dbraw/zinc/04/57/66/186045766.db2.gz LJVSYAWYQBPDBN-CHWSQXEVSA-N 2 2 286.420 0.347 20 0 CCADLP CC[N@@H+](C)CCNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000105197667 186045768 /nfs/dbraw/zinc/04/57/68/186045768.db2.gz LJVSYAWYQBPDBN-CHWSQXEVSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@H](O)CNc1cc(N[C@@H]2CCn3cc[nH+]c3C2)nc[nH+]1 ZINC000413245251 233393634 /nfs/dbraw/zinc/39/36/34/233393634.db2.gz FZIYGDPPBFYQNZ-WDEREUQCSA-N 2 2 288.355 0.893 20 0 CCADLP C[C@H](O)CNc1cc(N[C@@H]2CCn3cc[nH+]c3C2)[nH+]cn1 ZINC000413245251 233393642 /nfs/dbraw/zinc/39/36/42/233393642.db2.gz FZIYGDPPBFYQNZ-WDEREUQCSA-N 2 2 288.355 0.893 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cnc2cnccn12 ZINC000131415567 350275129 /nfs/dbraw/zinc/27/51/29/350275129.db2.gz SSLUKQJKNQOPNL-ZDUSSCGKSA-N 2 2 263.345 0.132 20 0 CCADLP C[NH+](C)C[C@@](C)(O)CNCc1[nH+]ccn1CC(F)(F)F ZINC000131508055 350277124 /nfs/dbraw/zinc/27/71/24/350277124.db2.gz KFSCRCZWZLMCGI-NSHDSACASA-N 2 2 294.321 0.848 20 0 CCADLP COC(=O)[C@@H]([NH2+]CCCNC(=O)C1([NH+](C)C)CC1)C(C)C ZINC000603068941 362952896 /nfs/dbraw/zinc/95/28/96/362952896.db2.gz WMYAKHUUCDIIQL-LBPRGKRZSA-N 2 2 299.415 0.374 20 0 CCADLP C[N@@H+]1CCN(C(=O)c2ccc3c(c2)CCN3)[C@@H](C[NH3+])C1 ZINC000132705129 350314706 /nfs/dbraw/zinc/31/47/06/350314706.db2.gz OYCRVBWBYTXHRI-ZDUSSCGKSA-N 2 2 274.368 0.370 20 0 CCADLP C[N@H+]1CCN(C(=O)c2ccc3c(c2)CCN3)[C@@H](C[NH3+])C1 ZINC000132705129 350314711 /nfs/dbraw/zinc/31/47/11/350314711.db2.gz OYCRVBWBYTXHRI-ZDUSSCGKSA-N 2 2 274.368 0.370 20 0 CCADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1nnnn1-c1ccccc1 ZINC000131772757 350286941 /nfs/dbraw/zinc/28/69/41/350286941.db2.gz VAFFVECZGOMIPA-NWDGAFQWSA-N 2 2 272.356 0.831 20 0 CCADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1nnnn1-c1ccccc1 ZINC000131772757 350286942 /nfs/dbraw/zinc/28/69/42/350286942.db2.gz VAFFVECZGOMIPA-NWDGAFQWSA-N 2 2 272.356 0.831 20 0 CCADLP O=C(CC[C@@H]1CC[NH2+]C1)NCCCn1cc[nH+]c1 ZINC000134476851 350365424 /nfs/dbraw/zinc/36/54/24/350365424.db2.gz FHCGXAUPVNJZKP-GFCCVEGCSA-N 2 2 250.346 0.779 20 0 CCADLP CC[C@]1(C(=O)N2CC[N@H+](CCOC)[C@H](C)C2)CCC[NH2+]1 ZINC000134597874 350369983 /nfs/dbraw/zinc/36/99/83/350369983.db2.gz HRKIGBIBBPZSTA-UKRRQHHQSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@]1(C(=O)N2CC[N@@H+](CCOC)[C@H](C)C2)CCC[NH2+]1 ZINC000134597874 350369987 /nfs/dbraw/zinc/36/99/87/350369987.db2.gz HRKIGBIBBPZSTA-UKRRQHHQSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000092134238 180332253 /nfs/dbraw/zinc/33/22/53/180332253.db2.gz OOAFKZMUCQVRBS-CYBMUJFWSA-N 2 2 276.384 0.581 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000092134629 180332761 /nfs/dbraw/zinc/33/27/61/180332761.db2.gz UCQZXFRQEVDVDP-CYBMUJFWSA-N 2 2 276.384 0.581 20 0 CCADLP C[C@H](C(N)=O)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105862978 186081238 /nfs/dbraw/zinc/08/12/38/186081238.db2.gz PEQADLAMENPFGP-GFCCVEGCSA-N 2 2 279.388 0.153 20 0 CCADLP C[C@H](C(N)=O)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105862978 186081239 /nfs/dbraw/zinc/08/12/39/186081239.db2.gz PEQADLAMENPFGP-GFCCVEGCSA-N 2 2 279.388 0.153 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)NCCNc1cccc[nH+]1 ZINC000139398895 350447066 /nfs/dbraw/zinc/44/70/66/350447066.db2.gz ZJIVOBYXNFPSGW-GFCCVEGCSA-N 2 2 277.372 0.887 20 0 CCADLP C[N@H+]1CCC[C@@H]1CNC(=O)NCCNc1cccc[nH+]1 ZINC000139398895 350447070 /nfs/dbraw/zinc/44/70/70/350447070.db2.gz ZJIVOBYXNFPSGW-GFCCVEGCSA-N 2 2 277.372 0.887 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CO)CC2)CC1 ZINC000339746366 215324385 /nfs/dbraw/zinc/32/43/85/215324385.db2.gz NWYKGPNKQSXPQC-HUUCEWRRSA-N 2 2 297.443 0.633 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](CO)CC2)CC1 ZINC000339746366 215324387 /nfs/dbraw/zinc/32/43/87/215324387.db2.gz NWYKGPNKQSXPQC-HUUCEWRRSA-N 2 2 297.443 0.633 20 0 CCADLP Cc1csc2nc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc(=O)n12 ZINC000107855484 186195839 /nfs/dbraw/zinc/19/58/39/186195839.db2.gz PMVUENNUVTTZBN-PHIMTYICSA-N 2 2 290.392 0.716 20 0 CCADLP Cc1csc2nc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc(=O)n12 ZINC000107855484 186195841 /nfs/dbraw/zinc/19/58/41/186195841.db2.gz PMVUENNUVTTZBN-PHIMTYICSA-N 2 2 290.392 0.716 20 0 CCADLP COCC[NH2+]CC(=O)Nc1cccnc1-n1cc[nH+]c1C ZINC000092495672 180396836 /nfs/dbraw/zinc/39/68/36/180396836.db2.gz OBXMLURUNIMIID-UHFFFAOYSA-N 2 2 289.339 0.750 20 0 CCADLP C[C@H]1CCCCN1C(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107574407 186179295 /nfs/dbraw/zinc/17/92/95/186179295.db2.gz ZFLNSNXYCLSGAY-RWMBFGLXSA-N 2 2 251.374 0.539 20 0 CCADLP C[C@H]1CCCCN1C(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107574407 186179297 /nfs/dbraw/zinc/17/92/97/186179297.db2.gz ZFLNSNXYCLSGAY-RWMBFGLXSA-N 2 2 251.374 0.539 20 0 CCADLP CC[C@@H]([NH3+])C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000152896106 350545708 /nfs/dbraw/zinc/54/57/08/350545708.db2.gz FVLWZYKYPOQOEQ-LLVKDONJSA-N 2 2 278.356 0.902 20 0 CCADLP COCCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154342617 350584511 /nfs/dbraw/zinc/58/45/11/350584511.db2.gz CYSJWTPGQCGFAQ-YIONKMFJSA-N 2 2 295.427 0.792 20 0 CCADLP COCCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154342617 350584514 /nfs/dbraw/zinc/58/45/14/350584514.db2.gz CYSJWTPGQCGFAQ-YIONKMFJSA-N 2 2 295.427 0.792 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109793249 186271796 /nfs/dbraw/zinc/27/17/96/186271796.db2.gz DZPILKWROCEABV-LLVKDONJSA-N 2 2 293.371 0.754 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109794085 186272136 /nfs/dbraw/zinc/27/21/36/186272136.db2.gz WFYXZTWPXCGQBD-UHFFFAOYSA-N 2 2 293.371 0.756 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCCCO1 ZINC000157381038 350644135 /nfs/dbraw/zinc/64/41/35/350644135.db2.gz SGLPDCFKFAVKQV-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCCCO1 ZINC000157381038 350644139 /nfs/dbraw/zinc/64/41/39/350644139.db2.gz SGLPDCFKFAVKQV-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP C[N@@H+]1CCN(C(=O)CC2CCSCC2)[C@@H](C[NH3+])C1 ZINC000157720688 350649032 /nfs/dbraw/zinc/64/90/32/350649032.db2.gz ROKJBQDITLFWRU-LBPRGKRZSA-N 2 2 271.430 0.621 20 0 CCADLP C[N@H+]1CCN(C(=O)CC2CCSCC2)[C@@H](C[NH3+])C1 ZINC000157720688 350649034 /nfs/dbraw/zinc/64/90/34/350649034.db2.gz ROKJBQDITLFWRU-LBPRGKRZSA-N 2 2 271.430 0.621 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@H]1CCC[N@@H+]1C ZINC000161678424 350727234 /nfs/dbraw/zinc/72/72/34/350727234.db2.gz GIJDEANOEKSWPP-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@H]1CCC[N@H+]1C ZINC000161678424 350727236 /nfs/dbraw/zinc/72/72/36/350727236.db2.gz GIJDEANOEKSWPP-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000162242224 350739550 /nfs/dbraw/zinc/73/95/50/350739550.db2.gz MADCKOIDCJGRKP-GHMZBOCLSA-N 2 2 250.408 0.739 20 0 CCADLP C[C@@H]([NH3+])C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000167967472 350817316 /nfs/dbraw/zinc/81/73/16/350817316.db2.gz LRCAWCBGSHSCLJ-TZMCWYRMSA-N 2 2 277.368 0.211 20 0 CCADLP c1[nH]nc2c1C[N@H+](CCC[NH+]1CCOCC1)CC2 ZINC000163474971 350766134 /nfs/dbraw/zinc/76/61/34/350766134.db2.gz CAVMGVPOOFTBCJ-UHFFFAOYSA-N 2 2 250.346 0.490 20 0 CCADLP c1[nH]nc2c1C[N@@H+](CCC[NH+]1CCOCC1)CC2 ZINC000163474971 350766139 /nfs/dbraw/zinc/76/61/39/350766139.db2.gz CAVMGVPOOFTBCJ-UHFFFAOYSA-N 2 2 250.346 0.490 20 0 CCADLP CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)CC[NH3+] ZINC000168181139 350822117 /nfs/dbraw/zinc/82/21/17/350822117.db2.gz IGGWDCOHSYWZHU-LBPRGKRZSA-N 2 2 297.424 0.929 20 0 CCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)[C@H]1CCC[NH2+]C1 ZINC000165253052 350788880 /nfs/dbraw/zinc/78/88/80/350788880.db2.gz XZMXUYIFQDEHQS-LBPRGKRZSA-N 2 2 276.384 0.878 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000172189376 350964760 /nfs/dbraw/zinc/96/47/60/350964760.db2.gz IHQAZTQTHDEGOG-CYBMUJFWSA-N 2 2 251.374 0.801 20 0 CCADLP Cc1cccn2cc(CNC(=O)[C@@H]3C[N@H+](C)CCO3)[nH+]c12 ZINC000172795708 351010613 /nfs/dbraw/zinc/01/06/13/351010613.db2.gz OYWBNIBOSDPJAV-ZDUSSCGKSA-N 2 2 288.351 0.590 20 0 CCADLP Cc1cccn2cc(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)[nH+]c12 ZINC000172795708 351010616 /nfs/dbraw/zinc/01/06/16/351010616.db2.gz OYWBNIBOSDPJAV-ZDUSSCGKSA-N 2 2 288.351 0.590 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000178762592 351244481 /nfs/dbraw/zinc/24/44/81/351244481.db2.gz OLWYICBAKIJRRP-GFCCVEGCSA-N 2 2 269.389 0.213 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000178762592 351244482 /nfs/dbraw/zinc/24/44/82/351244482.db2.gz OLWYICBAKIJRRP-GFCCVEGCSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000178905752 351252581 /nfs/dbraw/zinc/25/25/81/351252581.db2.gz XXXXJLJWJOJMIB-QLFBSQMISA-N 2 2 295.427 0.698 20 0 CCADLP CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181035624 351299778 /nfs/dbraw/zinc/29/97/78/351299778.db2.gz RACUZVNJKSKARS-RBSFLKMASA-N 2 2 297.443 0.944 20 0 CCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@H]2CC[NH2+]C2)C1 ZINC000335369256 282746743 /nfs/dbraw/zinc/74/67/43/282746743.db2.gz VNUINBSRVVSSON-OLZOCXBDSA-N 2 2 276.384 0.811 20 0 CCADLP Cc1ccc(C[NH+]2CCN(C(=O)C[NH+](C)C)CC2)c(C)n1 ZINC000186658905 351506304 /nfs/dbraw/zinc/50/63/04/351506304.db2.gz MKGOPZRZMMJKBY-UHFFFAOYSA-N 2 2 290.411 0.904 20 0 CCADLP C[C@@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)Cn1cc[nH+]c1 ZINC000188734064 351623993 /nfs/dbraw/zinc/62/39/93/351623993.db2.gz DRUXJNGLAHSWOC-JTQLQIEISA-N 2 2 288.355 0.318 20 0 CCADLP C[C@@H]1CN(CC[N@H+](C)CCCn2cc[nH+]c2)CCO1 ZINC000191601800 351765307 /nfs/dbraw/zinc/76/53/07/351765307.db2.gz MKVDNXNNPDPXOV-CQSZACIVSA-N 2 2 266.389 0.926 20 0 CCADLP C[C@@H]1CN(CC[N@@H+](C)CCCn2cc[nH+]c2)CCO1 ZINC000191601800 351765309 /nfs/dbraw/zinc/76/53/09/351765309.db2.gz MKVDNXNNPDPXOV-CQSZACIVSA-N 2 2 266.389 0.926 20 0 CCADLP CC(C)C[C@@]1(CO)CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000191655434 351767635 /nfs/dbraw/zinc/76/76/35/351767635.db2.gz GYJWZNKUNWMXPM-MRXNPFEDSA-N 2 2 297.443 0.633 20 0 CCADLP CC(C)C[C@@]1(CO)CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000191655434 351767637 /nfs/dbraw/zinc/76/76/37/351767637.db2.gz GYJWZNKUNWMXPM-MRXNPFEDSA-N 2 2 297.443 0.633 20 0 CCADLP C[C@@H]([NH3+])CCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000193320676 351822790 /nfs/dbraw/zinc/82/27/90/351822790.db2.gz ZITFVOSTPBSJNL-GFCCVEGCSA-N 3 2 270.421 0.256 20 0 CCADLP CC[NH+](CC)CCCN1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000193460119 351828724 /nfs/dbraw/zinc/82/87/24/351828724.db2.gz BPRBOWULASOVLL-UHFFFAOYSA-N 2 2 296.459 0.615 20 0 CCADLP Cc1nc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)no1 ZINC000195519206 351917365 /nfs/dbraw/zinc/91/73/65/351917365.db2.gz AASXGBQICOTTEV-UHFFFAOYSA-N 2 2 295.387 0.268 20 0 CCADLP O[C@@H]1COC[C@H]1[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000221984490 351981083 /nfs/dbraw/zinc/98/10/83/351981083.db2.gz JADIHDHXSJVLMA-ZIAGYGMSSA-N 2 2 254.374 0.696 20 0 CCADLP CO[C@H](C[NH3+])C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000227374511 352048154 /nfs/dbraw/zinc/04/81/54/352048154.db2.gz QOTBLHFMMRDZQH-CQSZACIVSA-N 2 2 293.367 0.431 20 0 CCADLP CS[C@@H](CO)[C@@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000228308661 352072514 /nfs/dbraw/zinc/07/25/14/352072514.db2.gz PTSOSLDAJBFYMT-KOLCDFICSA-N 2 2 272.418 0.688 20 0 CCADLP C[NH+](C)C[C@](C)(O)CNc1nc[nH+]c(N)c1Cl ZINC000234236153 352156332 /nfs/dbraw/zinc/15/63/32/352156332.db2.gz IMPOJWQLYOVBHX-SNVBAGLBSA-N 2 2 259.741 0.437 20 0 CCADLP C[NH+](C)C[C@](C)(O)CNc1[nH+]cnc(N)c1Cl ZINC000234236153 352156335 /nfs/dbraw/zinc/15/63/35/352156335.db2.gz IMPOJWQLYOVBHX-SNVBAGLBSA-N 2 2 259.741 0.437 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000236678428 352204282 /nfs/dbraw/zinc/20/42/82/352204282.db2.gz LEJCMBWJMALNSP-LBPRGKRZSA-N 2 2 271.405 0.588 20 0 CCADLP CCn1c[nH+]cc1CN1CC[N@H+](CCO)C[C@@H]1C ZINC000418114772 234009204 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CCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246592249 352374587 /nfs/dbraw/zinc/37/45/87/352374587.db2.gz JKOLORAMIUYZHM-GJZGRUSLSA-N 2 2 297.443 0.945 20 0 CCADLP C[C@@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000247787983 352425510 /nfs/dbraw/zinc/42/55/10/352425510.db2.gz YTHHGIUVJFIRNK-JHJVBQTASA-N 2 2 262.357 0.997 20 0 CCADLP C[C@@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000247787983 352425514 /nfs/dbraw/zinc/42/55/14/352425514.db2.gz YTHHGIUVJFIRNK-JHJVBQTASA-N 2 2 262.357 0.997 20 0 CCADLP Cc1cc[nH+]cc1N1CCN(C(=O)NCCC[NH3+])CC1 ZINC000418341417 234077406 /nfs/dbraw/zinc/07/74/06/234077406.db2.gz DFJUERLRVTUFPZ-UHFFFAOYSA-N 2 2 277.372 0.570 20 0 CCADLP CSC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000249428132 352491222 /nfs/dbraw/zinc/49/12/22/352491222.db2.gz GHSUWCXCTDWYCJ-UONOGXRCSA-N 2 2 288.457 0.755 20 0 CCADLP CSC[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000249428132 352491225 /nfs/dbraw/zinc/49/12/25/352491225.db2.gz 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PXJNZTXEWNGAMU-GFCCVEGCSA-N 2 2 260.378 0.573 20 0 CCADLP CCOC(=O)CC[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C ZINC000311015312 354195518 /nfs/dbraw/zinc/19/55/18/354195518.db2.gz PXJNZTXEWNGAMU-GFCCVEGCSA-N 2 2 260.378 0.573 20 0 CCADLP CCOC(=O)CC[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000311015312 354195519 /nfs/dbraw/zinc/19/55/19/354195519.db2.gz PXJNZTXEWNGAMU-GFCCVEGCSA-N 2 2 260.378 0.573 20 0 CCADLP CCOC(=O)CC[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000311015312 354195521 /nfs/dbraw/zinc/19/55/21/354195521.db2.gz PXJNZTXEWNGAMU-GFCCVEGCSA-N 2 2 260.378 0.573 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC([C@H](C)O)CC1 ZINC000311431199 354199427 /nfs/dbraw/zinc/19/94/27/354199427.db2.gz CUVTULQQWDTJET-JSGCOSHPSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC([C@H](C)O)CC1 ZINC000311431199 354199428 /nfs/dbraw/zinc/19/94/28/354199428.db2.gz CUVTULQQWDTJET-JSGCOSHPSA-N 2 2 274.405 0.018 20 0 CCADLP C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313341748 354212775 /nfs/dbraw/zinc/21/27/75/354212775.db2.gz FXVHCSWBFVRCEZ-UONOGXRCSA-N 2 2 283.416 0.827 20 0 CCADLP C[C@@H](C(=O)N1CCCCCC1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313341748 354212780 /nfs/dbraw/zinc/21/27/80/354212780.db2.gz FXVHCSWBFVRCEZ-UONOGXRCSA-N 2 2 283.416 0.827 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@H]2CC=CCC2)[C@H](C[NH3+])C1 ZINC000557167130 291023785 /nfs/dbraw/zinc/02/37/85/291023785.db2.gz HTTJCXMLRMPDCU-NWDGAFQWSA-N 2 2 252.362 0.379 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@H]2CC=CCC2)[C@H](C[NH3+])C1 ZINC000557167130 291023788 /nfs/dbraw/zinc/02/37/88/291023788.db2.gz HTTJCXMLRMPDCU-NWDGAFQWSA-N 2 2 252.362 0.379 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+] ZINC000557196944 291026102 /nfs/dbraw/zinc/02/61/02/291026102.db2.gz IWWDLWQKDZCNJJ-KBPBESRZSA-N 3 2 297.447 0.145 20 0 CCADLP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+] ZINC000557196944 291026104 /nfs/dbraw/zinc/02/61/04/291026104.db2.gz IWWDLWQKDZCNJJ-KBPBESRZSA-N 3 2 297.447 0.145 20 0 CCADLP CC(C)[C@H](C)NC(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000330506859 354384537 /nfs/dbraw/zinc/38/45/37/354384537.db2.gz HPEZZESTJXYVGX-ZDUSSCGKSA-N 2 2 293.415 0.703 20 0 CCADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)NC(=O)NC1CCCC1 ZINC000557341838 291031041 /nfs/dbraw/zinc/03/10/41/291031041.db2.gz RLAWHHBRCNRRBT-LLVKDONJSA-N 2 2 284.404 0.718 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)NCCCn2cc[nH+]c2C)[N@H+](C)C1 ZINC000332312885 354644417 /nfs/dbraw/zinc/64/44/17/354644417.db2.gz LSEABCZIKPENJC-STQMWFEESA-N 2 2 280.372 0.417 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)NCCCn2cc[nH+]c2C)[N@@H+](C)C1 ZINC000332312885 354644423 /nfs/dbraw/zinc/64/44/23/354644423.db2.gz LSEABCZIKPENJC-STQMWFEESA-N 2 2 280.372 0.417 20 0 CCADLP CC(C)[C@@H](C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)[NH+](C)C ZINC000557580024 291036798 /nfs/dbraw/zinc/03/67/98/291036798.db2.gz TVICTGBMRKQVBQ-ZNMIVQPWSA-N 2 2 297.443 0.894 20 0 CCADLP CCC([NH3+])(CC)CNC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000332696390 354723724 /nfs/dbraw/zinc/72/37/24/354723724.db2.gz SOPGWEDQCAGJRP-CHWSQXEVSA-N 2 2 298.431 0.618 20 0 CCADLP CCC([NH3+])(CC)CNC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000332696390 354723727 /nfs/dbraw/zinc/72/37/27/354723727.db2.gz SOPGWEDQCAGJRP-CHWSQXEVSA-N 2 2 298.431 0.618 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333674445 354774205 /nfs/dbraw/zinc/77/42/05/354774205.db2.gz NSFRAGWHBQDGGK-NHYWBVRUSA-N 2 2 294.399 0.439 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000333674445 354774207 /nfs/dbraw/zinc/77/42/07/354774207.db2.gz NSFRAGWHBQDGGK-NHYWBVRUSA-N 2 2 294.399 0.439 20 0 CCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)C2 ZINC000332897548 354738902 /nfs/dbraw/zinc/73/89/02/354738902.db2.gz KWLSAOJAUCJASJ-OCCSQVGLSA-N 2 2 292.383 0.201 20 0 CCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)C2 ZINC000332897548 354738904 /nfs/dbraw/zinc/73/89/04/354738904.db2.gz KWLSAOJAUCJASJ-OCCSQVGLSA-N 2 2 292.383 0.201 20 0 CCADLP C[C@@H]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@H]1n1cc[nH+]c1 ZINC000333838574 354803293 /nfs/dbraw/zinc/80/32/93/354803293.db2.gz NVBWSWVHORPKRO-RGDJUOJXSA-N 2 2 289.383 0.693 20 0 CCADLP C[C@H]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[C@H]1n1cc[nH+]c1 ZINC000333838571 354803494 /nfs/dbraw/zinc/80/34/94/354803494.db2.gz NVBWSWVHORPKRO-ODXJTPSBSA-N 2 2 289.383 0.693 20 0 CCADLP O=C(NCc1cn2ccccc2[nH+]1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333930163 354816905 /nfs/dbraw/zinc/81/69/05/354816905.db2.gz YWWAMFJUDQBMNH-YPMHNXCESA-N 2 2 285.351 0.838 20 0 CCADLP C[NH+](C)CCn1cc(NC(=O)Cn2cc[nH+]c2)cn1 ZINC000608012011 363391462 /nfs/dbraw/zinc/39/14/62/363391462.db2.gz QKQCZBRKDNMLJW-UHFFFAOYSA-N 2 2 262.317 0.280 20 0 CCADLP CC(C)[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000334453238 354868571 /nfs/dbraw/zinc/86/85/71/354868571.db2.gz LSLFDKWUEFUOFS-ZDUSSCGKSA-N 2 2 253.390 0.738 20 0 CCADLP CC(C)[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000334453238 354868573 /nfs/dbraw/zinc/86/85/73/354868573.db2.gz LSLFDKWUEFUOFS-ZDUSSCGKSA-N 2 2 253.390 0.738 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3cc[nH]n3)C2)CC1 ZINC000608363937 363422733 /nfs/dbraw/zinc/42/27/33/363422733.db2.gz KFXAXJMELLXCDS-CYBMUJFWSA-N 2 2 291.399 0.237 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3cc[nH]n3)C2)CC1 ZINC000608363937 363422737 /nfs/dbraw/zinc/42/27/37/363422737.db2.gz KFXAXJMELLXCDS-CYBMUJFWSA-N 2 2 291.399 0.237 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC000334589149 354903226 /nfs/dbraw/zinc/90/32/26/354903226.db2.gz DRVXIRRXXQAWBL-JTQLQIEISA-N 2 2 261.316 0.395 20 0 CCADLP CCNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000335047789 354948526 /nfs/dbraw/zinc/94/85/26/354948526.db2.gz MNMUWWCEOLHDKH-LBPRGKRZSA-N 2 2 268.405 0.816 20 0 CCADLP CCNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000335047789 354948529 /nfs/dbraw/zinc/94/85/29/354948529.db2.gz MNMUWWCEOLHDKH-LBPRGKRZSA-N 2 2 268.405 0.816 20 0 CCADLP O=C([C@@H]1COCC[NH2+]1)N1CC[NH+](C2CCCCC2)CC1 ZINC000423707432 235039958 /nfs/dbraw/zinc/03/99/58/235039958.db2.gz DRGXBTAXZVIWRV-AWEZNQCLSA-N 2 2 281.400 0.452 20 0 CCADLP Cn1c[nH+]cc1CNc1cnn(CC[NH+]2CCOCC2)c1 ZINC000271775098 191319237 /nfs/dbraw/zinc/31/92/37/191319237.db2.gz CHAVJLOFMHLVMH-UHFFFAOYSA-N 2 2 290.371 0.561 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCSCC1 ZINC000336382428 355114717 /nfs/dbraw/zinc/11/47/17/355114717.db2.gz CICNAXYFQISSIB-STQMWFEESA-N 2 2 283.441 0.730 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCSCC1 ZINC000336382428 355114721 /nfs/dbraw/zinc/11/47/21/355114721.db2.gz CICNAXYFQISSIB-STQMWFEESA-N 2 2 283.441 0.730 20 0 CCADLP C[C@@H](O)CC[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000336701372 355141168 /nfs/dbraw/zinc/14/11/68/355141168.db2.gz DXHPWONGPQUJBE-OLZOCXBDSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@@H](O)CC[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000336701372 355141169 /nfs/dbraw/zinc/14/11/69/355141169.db2.gz DXHPWONGPQUJBE-OLZOCXBDSA-N 2 2 256.390 0.942 20 0 CCADLP [NH3+]Cc1nc(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)cs1 ZINC000424169939 235166962 /nfs/dbraw/zinc/16/69/62/235166962.db2.gz JZBMLTHCASCJTC-ZETCQYMHSA-N 2 2 290.339 0.576 20 0 CCADLP NS(=O)(=O)CCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000336798810 355171563 /nfs/dbraw/zinc/17/15/63/355171563.db2.gz GKGITRBPPAXNGN-UHFFFAOYSA-N 2 2 289.445 0.615 20 0 CCADLP CC(C)[C@H]1C[N@H+](C)CCN1CCC[NH+]1CCOCC1 ZINC000336803449 355179750 /nfs/dbraw/zinc/17/97/50/355179750.db2.gz YMZUQXIQDRFWMN-OAHLLOKOSA-N 2 2 269.433 0.981 20 0 CCADLP CC(C)[C@H]1C[N@@H+](C)CCN1CCC[NH+]1CCOCC1 ZINC000336803449 355179751 /nfs/dbraw/zinc/17/97/51/355179751.db2.gz YMZUQXIQDRFWMN-OAHLLOKOSA-N 2 2 269.433 0.981 20 0 CCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000424186763 235173495 /nfs/dbraw/zinc/17/34/95/235173495.db2.gz HKBDAJWOGCXMTB-NHCYSSNCSA-N 2 2 273.327 0.347 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CCS(=O)(=O)N(C)C)C[C@H]1C ZINC000336808761 355184080 /nfs/dbraw/zinc/18/40/80/355184080.db2.gz CTUPTXDBGCYCRV-CHWSQXEVSA-N 2 2 291.461 0.682 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CCS(=O)(=O)N(C)C)C[C@H]1C ZINC000336808761 355184083 /nfs/dbraw/zinc/18/40/83/355184083.db2.gz CTUPTXDBGCYCRV-CHWSQXEVSA-N 2 2 291.461 0.682 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CCS(=O)(=O)N(C)C)C[C@H]1C ZINC000336808761 355184084 /nfs/dbraw/zinc/18/40/84/355184084.db2.gz CTUPTXDBGCYCRV-CHWSQXEVSA-N 2 2 291.461 0.682 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CCS(=O)(=O)N(C)C)C[C@H]1C ZINC000336808761 355184087 /nfs/dbraw/zinc/18/40/87/355184087.db2.gz CTUPTXDBGCYCRV-CHWSQXEVSA-N 2 2 291.461 0.682 20 0 CCADLP C[N@H+](CC1CC1)C[C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000336820297 355194691 /nfs/dbraw/zinc/19/46/91/355194691.db2.gz CLFKHXBSYXOMTN-INIZCTEOSA-N 2 2 281.444 0.982 20 0 CCADLP C[N@@H+](CC1CC1)C[C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000336820297 355194693 /nfs/dbraw/zinc/19/46/93/355194693.db2.gz CLFKHXBSYXOMTN-INIZCTEOSA-N 2 2 281.444 0.982 20 0 CCADLP CC(C)OC[C@@H](O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000336822804 355197734 /nfs/dbraw/zinc/19/77/34/355197734.db2.gz NAUXFNLJSQUZEK-ZDUSSCGKSA-N 2 2 282.388 0.328 20 0 CCADLP COC[C@H](C)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000336827430 355202511 /nfs/dbraw/zinc/20/25/11/355202511.db2.gz NUKGQGPSRYYFGK-LBPRGKRZSA-N 2 2 279.388 0.700 20 0 CCADLP COc1ncc(C[N@H+](C)C2CC[NH+](CCO)CC2)c(C)n1 ZINC000337122772 355269880 /nfs/dbraw/zinc/26/98/80/355269880.db2.gz BOFLVMNTVYGBBD-UHFFFAOYSA-N 2 2 294.399 0.682 20 0 CCADLP COc1ncc(C[N@@H+](C)C2CC[NH+](CCO)CC2)c(C)n1 ZINC000337122772 355269882 /nfs/dbraw/zinc/26/98/82/355269882.db2.gz BOFLVMNTVYGBBD-UHFFFAOYSA-N 2 2 294.399 0.682 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424418974 235204740 /nfs/dbraw/zinc/20/47/40/235204740.db2.gz ZMJZCZICJPLQLA-IJLUTSLNSA-N 2 2 265.361 0.841 20 0 CCADLP C[C@@H]1CN(c2cc[nH+]c(N3CCOCC3)n2)C[C@H](C)[N@H+]1C ZINC000338786667 355419769 /nfs/dbraw/zinc/41/97/69/355419769.db2.gz OVURRTFYSCZAAQ-BETUJISGSA-N 2 2 291.399 0.842 20 0 CCADLP C[C@@H]1CN(c2cc[nH+]c(N3CCOCC3)n2)C[C@H](C)[N@@H+]1C ZINC000338786667 355419772 /nfs/dbraw/zinc/41/97/72/355419772.db2.gz OVURRTFYSCZAAQ-BETUJISGSA-N 2 2 291.399 0.842 20 0 CCADLP CC1(C)OCC[C@H]1[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000340244457 355536855 /nfs/dbraw/zinc/53/68/55/355536855.db2.gz ZMHJPMVGHVYAKF-OAHLLOKOSA-N 2 2 299.459 0.534 20 0 CCADLP C[C@]1(C[N@H+](CCC(F)(F)F)C[C@H](O)CO)CC[NH2+]C1 ZINC000340706397 355587800 /nfs/dbraw/zinc/58/78/00/355587800.db2.gz HSCRBAMDIXWGNE-QWRGUYRKSA-N 2 2 284.322 0.594 20 0 CCADLP C[C@]1(C[N@@H+](CCC(F)(F)F)C[C@H](O)CO)CC[NH2+]C1 ZINC000340706397 355587803 /nfs/dbraw/zinc/58/78/03/355587803.db2.gz HSCRBAMDIXWGNE-QWRGUYRKSA-N 2 2 284.322 0.594 20 0 CCADLP C[C@H](CNC(=O)C(C)(C)[NH+]1CCOCC1)C[NH+](C)C ZINC000341230614 355636179 /nfs/dbraw/zinc/63/61/79/355636179.db2.gz QWKRWISZVZLQHN-GFCCVEGCSA-N 2 2 271.405 0.411 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCN(CCO)[C@H](C)C1 ZINC000426460490 235337432 /nfs/dbraw/zinc/33/74/32/235337432.db2.gz PCXYJCYRSNQVCW-CYBMUJFWSA-N 2 2 266.389 0.580 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CCN(CCO)[C@H](C)C1 ZINC000426460490 235337435 /nfs/dbraw/zinc/33/74/35/235337435.db2.gz PCXYJCYRSNQVCW-CYBMUJFWSA-N 2 2 266.389 0.580 20 0 CCADLP Cc1[nH+]ccn1CCCN1CC[N@H+](CCO)[C@H](C)C1 ZINC000426460490 235337437 /nfs/dbraw/zinc/33/74/37/235337437.db2.gz PCXYJCYRSNQVCW-CYBMUJFWSA-N 2 2 266.389 0.580 20 0 CCADLP Cc1[nH+]ccn1CCCN1CC[N@@H+](CCO)[C@H](C)C1 ZINC000426460490 235337440 /nfs/dbraw/zinc/33/74/40/235337440.db2.gz PCXYJCYRSNQVCW-CYBMUJFWSA-N 2 2 266.389 0.580 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CC[NH2+]CC1(F)F)[NH+]1CCOCC1 ZINC000342765171 355740961 /nfs/dbraw/zinc/74/09/61/355740961.db2.gz MJXOYMSHOWTYSI-WDEREUQCSA-N 2 2 291.342 0.068 20 0 CCADLP O=C(C[C@@H]1CC[NH2+]C1)NCCc1cn2c([nH+]1)CCCC2 ZINC000427289348 235357652 /nfs/dbraw/zinc/35/76/52/235357652.db2.gz ULBPFXURRKZQPA-LBPRGKRZSA-N 2 2 276.384 0.878 20 0 CCADLP CN1CC[C@H]([N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1=O ZINC000150756964 283118961 /nfs/dbraw/zinc/11/89/61/283118961.db2.gz LHPPWNQTQHNDTJ-OLZOCXBDSA-N 2 2 251.374 0.635 20 0 CCADLP CN1CC[C@H]([N@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1=O ZINC000150756964 283118963 /nfs/dbraw/zinc/11/89/63/283118963.db2.gz LHPPWNQTQHNDTJ-OLZOCXBDSA-N 2 2 251.374 0.635 20 0 CCADLP CS[C@@H]1CN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@H]1[NH+](C)C ZINC000343625797 355776762 /nfs/dbraw/zinc/77/67/62/355776762.db2.gz LFVWACUVHSCYAI-LXTVHRRPSA-N 2 2 299.484 0.827 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000344164623 355787627 /nfs/dbraw/zinc/78/76/27/355787627.db2.gz DAICJMGBOMVNFA-MCIONIFRSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000344164623 355787629 /nfs/dbraw/zinc/78/76/29/355787629.db2.gz DAICJMGBOMVNFA-MCIONIFRSA-N 2 2 283.416 0.554 20 0 CCADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)NCC1CCCCC1 ZINC000359285925 137944707 /nfs/dbraw/zinc/94/47/07/137944707.db2.gz XESYRNCKEPGMNQ-ZIAGYGMSSA-N 2 2 265.401 0.834 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000559311872 291081981 /nfs/dbraw/zinc/08/19/81/291081981.db2.gz OMKRAUXFVHHOPE-SWLSCSKDSA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000559311872 291081982 /nfs/dbraw/zinc/08/19/82/291081982.db2.gz OMKRAUXFVHHOPE-SWLSCSKDSA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000559311872 291081984 /nfs/dbraw/zinc/08/19/84/291081984.db2.gz OMKRAUXFVHHOPE-SWLSCSKDSA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000559311872 291081986 /nfs/dbraw/zinc/08/19/86/291081986.db2.gz OMKRAUXFVHHOPE-SWLSCSKDSA-N 2 2 297.399 0.082 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)[C@H]2CCC[C@@H]21 ZINC000423581386 283137669 /nfs/dbraw/zinc/13/76/69/283137669.db2.gz YYWBLWJFCTVGMC-CRWXNKLISA-N 3 2 253.390 0.437 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)[C@H]2CCC[C@@H]21 ZINC000423581386 283137672 /nfs/dbraw/zinc/13/76/72/283137672.db2.gz YYWBLWJFCTVGMC-CRWXNKLISA-N 3 2 253.390 0.437 20 0 CCADLP CN1CCC[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1=O ZINC000352752004 356071146 /nfs/dbraw/zinc/07/11/46/356071146.db2.gz WSLAYNQCGVGFOW-LLVKDONJSA-N 2 2 282.413 0.915 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000353426969 356219286 /nfs/dbraw/zinc/21/92/86/356219286.db2.gz KSGRDCWSCQFNGQ-MJBXVCDLSA-N 2 2 283.416 0.457 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000353432795 356221307 /nfs/dbraw/zinc/22/13/07/356221307.db2.gz OPEPAWBMPWOHMR-NSHDSACASA-N 2 2 266.345 0.179 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000353432795 356221310 /nfs/dbraw/zinc/22/13/10/356221310.db2.gz OPEPAWBMPWOHMR-NSHDSACASA-N 2 2 266.345 0.179 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000353433352 356221699 /nfs/dbraw/zinc/22/16/99/356221699.db2.gz TZTWNHOAIQKESP-KFWWJZLASA-N 2 2 296.459 0.373 20 0 CCADLP CO[C@H](C[NH3+])C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000353458776 356227351 /nfs/dbraw/zinc/22/73/51/356227351.db2.gz KLKXJMPSJFXHEH-CYBMUJFWSA-N 2 2 274.324 0.462 20 0 CCADLP CC[C@@H](Cn1cncn1)[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000353265586 356190666 /nfs/dbraw/zinc/19/06/66/356190666.db2.gz YWVCPNUGOVRIDC-KGLIPLIRSA-N 2 2 281.404 0.615 20 0 CCADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc2c(c1)OCC(=O)N2 ZINC000353504145 356240478 /nfs/dbraw/zinc/24/04/78/356240478.db2.gz QFXDRMPMDGGVEQ-CMPLNLGQSA-N 2 2 293.367 0.591 20 0 CCADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc2c(c1)OCC(=O)N2 ZINC000353504148 356240612 /nfs/dbraw/zinc/24/06/12/356240612.db2.gz QFXDRMPMDGGVEQ-ZYHUDNBSSA-N 2 2 293.367 0.591 20 0 CCADLP COCC1(C[NH+]2CCN(C(=O)C[NH+](C)C)CC2)CCC1 ZINC000361285394 138027297 /nfs/dbraw/zinc/02/72/97/138027297.db2.gz DLQGAMQGXXOAJU-UHFFFAOYSA-N 2 2 283.416 0.509 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000353963144 356323022 /nfs/dbraw/zinc/32/30/22/356323022.db2.gz WLEMANPWPHQSLU-STQMWFEESA-N 2 2 270.421 0.079 20 0 CCADLP Cc1cc[nH+]c(N2CC[NH+]([C@@H]3COC[C@@H]3O)CC2)c1 ZINC000361307760 138028019 /nfs/dbraw/zinc/02/80/19/138028019.db2.gz HZGAXURAULEGAX-OLZOCXBDSA-N 2 2 263.341 0.272 20 0 CCADLP CCn1nccc1C[N@H+](CCO)CCn1cc[nH+]c1C ZINC000361370836 138032395 /nfs/dbraw/zinc/03/23/95/138032395.db2.gz VFBKATMVAQBNDB-UHFFFAOYSA-N 2 2 277.372 0.902 20 0 CCADLP CCn1nccc1C[N@@H+](CCO)CCn1cc[nH+]c1C ZINC000361370836 138032396 /nfs/dbraw/zinc/03/23/96/138032396.db2.gz VFBKATMVAQBNDB-UHFFFAOYSA-N 2 2 277.372 0.902 20 0 CCADLP Cc1nc(N(C)C2CC[NH+](CCO)CC2)cc[nH+]1 ZINC000361004928 138018876 /nfs/dbraw/zinc/01/88/76/138018876.db2.gz SVUKDTDVNQQOHY-UHFFFAOYSA-N 2 2 250.346 0.678 20 0 CCADLP C[C@H]1C[NH+](CCN(C)CC[N@@H+]2CCCOCC2)C[C@H](C)O1 ZINC000361388932 138034695 /nfs/dbraw/zinc/03/46/95/138034695.db2.gz AKAFLKZGSLVQCJ-HOTGVXAUSA-N 2 2 299.459 0.750 20 0 CCADLP C[C@H]1C[NH+](CCN(C)CC[N@H+]2CCCOCC2)C[C@H](C)O1 ZINC000361388932 138034696 /nfs/dbraw/zinc/03/46/96/138034696.db2.gz AKAFLKZGSLVQCJ-HOTGVXAUSA-N 2 2 299.459 0.750 20 0 CCADLP COC(=O)C[C@@]1([NH2+]CCn2cc[nH+]c2)CCOC1 ZINC000362264032 138053124 /nfs/dbraw/zinc/05/31/24/138053124.db2.gz YIECMMVLTVTKKG-LBPRGKRZSA-N 2 2 253.302 0.195 20 0 CCADLP COC(=O)[C@@]1(C)CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000362304032 138054039 /nfs/dbraw/zinc/05/40/39/138054039.db2.gz CVRTXRJEZDQFIX-AWEZNQCLSA-N 2 2 280.372 0.871 20 0 CCADLP COC(=O)[C@@]1(C)CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000362304032 138054040 /nfs/dbraw/zinc/05/40/40/138054040.db2.gz CVRTXRJEZDQFIX-AWEZNQCLSA-N 2 2 280.372 0.871 20 0 CCADLP O=C(NCCNc1cccc[nH+]1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655605540 412630068 /nfs/dbraw/zinc/63/00/68/412630068.db2.gz RSQFOYQTQVJHRD-WFASDCNBSA-N 2 2 274.368 0.999 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cncnc1 ZINC000273707907 192271191 /nfs/dbraw/zinc/27/11/91/192271191.db2.gz KIAUXZOVPORIQF-UHFFFAOYSA-N 2 2 291.399 0.575 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cncnc1 ZINC000273707907 192271193 /nfs/dbraw/zinc/27/11/93/192271193.db2.gz KIAUXZOVPORIQF-UHFFFAOYSA-N 2 2 291.399 0.575 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157363 363475672 /nfs/dbraw/zinc/47/56/72/363475672.db2.gz FZVLSIYCIKXYDC-ZJUUUORDSA-N 2 2 265.317 0.103 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157363 363475679 /nfs/dbraw/zinc/47/56/79/363475679.db2.gz FZVLSIYCIKXYDC-ZJUUUORDSA-N 2 2 265.317 0.103 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CCOC[C@H]1C ZINC000355070961 356566524 /nfs/dbraw/zinc/56/65/24/356566524.db2.gz NNVHXUHKVDCPLB-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CCOC[C@H]1C ZINC000355070961 356566526 /nfs/dbraw/zinc/56/65/26/356566526.db2.gz NNVHXUHKVDCPLB-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000355070961 356566527 /nfs/dbraw/zinc/56/65/27/356566527.db2.gz NNVHXUHKVDCPLB-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000355070961 356566528 /nfs/dbraw/zinc/56/65/28/356566528.db2.gz NNVHXUHKVDCPLB-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCNC(=O)c2ccn[nH]2)C1 ZINC000355778163 356645776 /nfs/dbraw/zinc/64/57/76/356645776.db2.gz LZJCTXSRLYMYPP-ZYHUDNBSSA-N 2 2 265.361 0.069 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCNC(=O)c2ccn[nH]2)C1 ZINC000355778163 356645782 /nfs/dbraw/zinc/64/57/82/356645782.db2.gz LZJCTXSRLYMYPP-ZYHUDNBSSA-N 2 2 265.361 0.069 20 0 CCADLP C[C@@H](C(=O)N1CCC[C@H]([NH+](C)C)C1)[NH+]1CCN(C)CC1 ZINC000358578218 356779854 /nfs/dbraw/zinc/77/98/54/356779854.db2.gz YSPZSTVFJVZIGT-KBPBESRZSA-N 2 2 282.432 0.175 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000359276838 356791781 /nfs/dbraw/zinc/79/17/81/356791781.db2.gz RWGSRVIBBFKCRS-CHWSQXEVSA-N 2 2 271.405 0.554 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000359276838 356791786 /nfs/dbraw/zinc/79/17/86/356791786.db2.gz RWGSRVIBBFKCRS-CHWSQXEVSA-N 2 2 271.405 0.554 20 0 CCADLP CCCCOCCNC(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359294156 356795798 /nfs/dbraw/zinc/79/57/98/356795798.db2.gz BBNLVLJZVLKVBZ-STQMWFEESA-N 2 2 269.389 0.071 20 0 CCADLP OC1(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CCC1 ZINC000359692351 356871585 /nfs/dbraw/zinc/87/15/85/356871585.db2.gz VWBLUTXVKWOJPG-UHFFFAOYSA-N 2 2 297.443 0.288 20 0 CCADLP OC1(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CCC1 ZINC000359692351 356871587 /nfs/dbraw/zinc/87/15/87/356871587.db2.gz VWBLUTXVKWOJPG-UHFFFAOYSA-N 2 2 297.443 0.288 20 0 CCADLP O=C1NCCCC[C@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655687593 412645321 /nfs/dbraw/zinc/64/53/21/412645321.db2.gz REGKOWCBXAJSIN-ZIAGYGMSSA-N 2 2 281.400 0.498 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000329097121 202188299 /nfs/dbraw/zinc/18/82/99/202188299.db2.gz LLXWLNDVFKFUMU-GFCCVEGCSA-N 2 2 288.351 0.473 20 0 CCADLP CN(CC[NH+](C)C)C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000360343038 356995107 /nfs/dbraw/zinc/99/51/07/356995107.db2.gz OMVJVUNMJIHTRJ-UHFFFAOYSA-N 2 2 269.389 0.261 20 0 CCADLP C[N@@H+]1CC[C@@H]2OCCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC000329156487 202209041 /nfs/dbraw/zinc/20/90/41/202209041.db2.gz BYJBNYPIUPMGCG-OLZOCXBDSA-N 2 2 278.356 0.274 20 0 CCADLP C[N@H+]1CC[C@@H]2OCCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC000329156487 202209045 /nfs/dbraw/zinc/20/90/45/202209045.db2.gz BYJBNYPIUPMGCG-OLZOCXBDSA-N 2 2 278.356 0.274 20 0 CCADLP C[N@@H+]1CC[C@@H]2OCCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC000329156487 202209046 /nfs/dbraw/zinc/20/90/46/202209046.db2.gz BYJBNYPIUPMGCG-OLZOCXBDSA-N 2 2 278.356 0.274 20 0 CCADLP C[N@H+]1CC[C@@H]2OCCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC000329156487 202209050 /nfs/dbraw/zinc/20/90/50/202209050.db2.gz BYJBNYPIUPMGCG-OLZOCXBDSA-N 2 2 278.356 0.274 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCn3ccnc32)CC1 ZINC000655702281 412648307 /nfs/dbraw/zinc/64/83/07/412648307.db2.gz RHSNUTIWIPNROP-GFCCVEGCSA-N 2 2 277.372 0.082 20 0 CCADLP O=C(NCC[NH+]1CCC1)C1([NH+]2CCOCC2)CCC1 ZINC000360533296 357035707 /nfs/dbraw/zinc/03/57/07/357035707.db2.gz QZUMYSYSMQBDFD-UHFFFAOYSA-N 2 2 267.373 0.063 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CCCO3)C2)CC1 ZINC000362710294 357056127 /nfs/dbraw/zinc/05/61/27/357056127.db2.gz JAHRVGXOAALDKR-TZMCWYRMSA-N 2 2 281.400 0.450 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CCCO3)C2)CC1 ZINC000362710294 357056131 /nfs/dbraw/zinc/05/61/31/357056131.db2.gz JAHRVGXOAALDKR-TZMCWYRMSA-N 2 2 281.400 0.450 20 0 CCADLP CC1(C)C[C@@H]([NH2+]C[C@H](O)CO)C[N@@H+]1Cc1ccccc1 ZINC000364140332 357088655 /nfs/dbraw/zinc/08/86/55/357088655.db2.gz FSHRYRGLPYQAKL-CABCVRRESA-N 2 2 278.396 0.982 20 0 CCADLP CC1(C)C[C@@H]([NH2+]C[C@H](O)CO)C[N@H+]1Cc1ccccc1 ZINC000364140332 357088659 /nfs/dbraw/zinc/08/86/59/357088659.db2.gz FSHRYRGLPYQAKL-CABCVRRESA-N 2 2 278.396 0.982 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365403196 357149801 /nfs/dbraw/zinc/14/98/01/357149801.db2.gz LURFQFMAQIVPFZ-NSHDSACASA-N 2 2 270.377 0.248 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365403196 357149802 /nfs/dbraw/zinc/14/98/02/357149802.db2.gz LURFQFMAQIVPFZ-NSHDSACASA-N 2 2 270.377 0.248 20 0 CCADLP C[C@@H]1CN(C)C[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655732544 412651528 /nfs/dbraw/zinc/65/15/28/412651528.db2.gz CTSZGUOLDWSVJT-YUELXQCFSA-N 2 2 267.417 0.779 20 0 CCADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)[C@H](C)CO ZINC000655728867 412652570 /nfs/dbraw/zinc/65/25/70/412652570.db2.gz ZHXDGOVWVWDFHG-YRGRVCCFSA-N 2 2 256.390 0.846 20 0 CCADLP CO[C@@H](C)CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369275615 357342926 /nfs/dbraw/zinc/34/29/26/357342926.db2.gz YCHICQKMIGKPRD-QWHCGFSZSA-N 2 2 283.416 0.696 20 0 CCADLP CO[C@@H](C)CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369275615 357342931 /nfs/dbraw/zinc/34/29/31/357342931.db2.gz YCHICQKMIGKPRD-QWHCGFSZSA-N 2 2 283.416 0.696 20 0 CCADLP Cc1nc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000376824463 357507738 /nfs/dbraw/zinc/50/77/38/357507738.db2.gz WLOPSVQNUKILGC-LLVKDONJSA-N 2 2 293.371 0.276 20 0 CCADLP Cc1nc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000376824463 357507742 /nfs/dbraw/zinc/50/77/42/357507742.db2.gz WLOPSVQNUKILGC-LLVKDONJSA-N 2 2 293.371 0.276 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000377346445 357567102 /nfs/dbraw/zinc/56/71/02/357567102.db2.gz PWCGQBWWQKZKPD-YPMHNXCESA-N 2 2 293.371 0.083 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000377346445 357567104 /nfs/dbraw/zinc/56/71/04/357567104.db2.gz PWCGQBWWQKZKPD-YPMHNXCESA-N 2 2 293.371 0.083 20 0 CCADLP CO[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655775928 412658494 /nfs/dbraw/zinc/65/84/94/412658494.db2.gz CYHVINMKNOWIQW-MELADBBJSA-N 2 2 270.373 0.243 20 0 CCADLP C[C@H](CNC(=O)[C@H]([NH3+])c1cscn1)C[NH+]1CCCC1 ZINC000574036191 334986673 /nfs/dbraw/zinc/98/66/73/334986673.db2.gz KTWQPDBNWWZATL-ZYHUDNBSSA-N 2 2 282.413 0.991 20 0 CCADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000389274360 357736150 /nfs/dbraw/zinc/73/61/50/357736150.db2.gz RWEOWNMHWADELM-DGCLKSJQSA-N 2 2 297.359 0.226 20 0 CCADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000389274360 357736151 /nfs/dbraw/zinc/73/61/51/357736151.db2.gz RWEOWNMHWADELM-DGCLKSJQSA-N 2 2 297.359 0.226 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000389166605 357736220 /nfs/dbraw/zinc/73/62/20/357736220.db2.gz ZPEJQURNPKTTKF-ILXRZTDVSA-N 3 2 269.433 0.715 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000389166605 357736224 /nfs/dbraw/zinc/73/62/24/357736224.db2.gz ZPEJQURNPKTTKF-ILXRZTDVSA-N 3 2 269.433 0.715 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000389166605 357736227 /nfs/dbraw/zinc/73/62/27/357736227.db2.gz ZPEJQURNPKTTKF-ILXRZTDVSA-N 3 2 269.433 0.715 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000389166605 357736231 /nfs/dbraw/zinc/73/62/31/357736231.db2.gz ZPEJQURNPKTTKF-ILXRZTDVSA-N 3 2 269.433 0.715 20 0 CCADLP Cc1nc(NC[C@H](C)[N@H+](C)Cc2ccccc2)nc(N)[nH+]1 ZINC000390713941 357742787 /nfs/dbraw/zinc/74/27/87/357742787.db2.gz ADYKXJOSQLUSET-NSHDSACASA-N 2 2 286.383 0.947 20 0 CCADLP Cc1nc(NC[C@H](C)[N@@H+](C)Cc2ccccc2)nc(N)[nH+]1 ZINC000390713941 357742791 /nfs/dbraw/zinc/74/27/91/357742791.db2.gz ADYKXJOSQLUSET-NSHDSACASA-N 2 2 286.383 0.947 20 0 CCADLP CCO[C@@H]1C[N@H+](Cc2ccc(C(=O)OC)cn2)C[C@H]1C[NH3+] ZINC000405763908 357827942 /nfs/dbraw/zinc/82/79/42/357827942.db2.gz HVRUANVBSPMYQY-TZMCWYRMSA-N 2 2 293.367 0.664 20 0 CCADLP CCO[C@@H]1C[N@@H+](Cc2ccc(C(=O)OC)cn2)C[C@H]1C[NH3+] ZINC000405763908 357827945 /nfs/dbraw/zinc/82/79/45/357827945.db2.gz HVRUANVBSPMYQY-TZMCWYRMSA-N 2 2 293.367 0.664 20 0 CCADLP Cc1cn2cc(NC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)ccc2[nH+]1 ZINC000408030837 357875565 /nfs/dbraw/zinc/87/55/65/357875565.db2.gz NZBFSIUNQIVPGO-AWEZNQCLSA-N 2 2 299.378 0.971 20 0 CCADLP Cc1cn2cc(NC(=O)[C@@H]3C[N@H+]4CCN3CCC4)ccc2[nH+]1 ZINC000408030837 357875566 /nfs/dbraw/zinc/87/55/66/357875566.db2.gz NZBFSIUNQIVPGO-AWEZNQCLSA-N 2 2 299.378 0.971 20 0 CCADLP C[C@@H](CNC(=O)NCC1([NH+]2CCOCC2)CC1)[NH+](C)C ZINC000454864861 295957045 /nfs/dbraw/zinc/95/70/45/295957045.db2.gz OIUMUFGSKOZDBQ-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP CC(C)[NH+]1CCC(N2CC[NH+]([C@@H](C)C(N)=O)CC2)CC1 ZINC000408183959 357957950 /nfs/dbraw/zinc/95/79/50/357957950.db2.gz VRXWJWAQSPEKHX-ZDUSSCGKSA-N 2 2 282.432 0.351 20 0 CCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000287392642 291127767 /nfs/dbraw/zinc/12/77/67/291127767.db2.gz PBHFUQFIWMAGCT-HAXFYCRJSA-N 2 2 290.367 0.745 20 0 CCADLP C[C@H]([C@H](C)NC(=O)NC[C@H](C)[NH+](C)C)[NH+]1CCOCC1 ZINC000454541955 236299368 /nfs/dbraw/zinc/29/93/68/236299368.db2.gz KVXJGJFROOMJDR-RWMBFGLXSA-N 2 2 286.420 0.345 20 0 CCADLP C[C@H](CN[C@H]1C[NH2+]CC[C@@H]1C)C[NH+]1CCOCC1 ZINC000422764843 358192690 /nfs/dbraw/zinc/19/26/90/358192690.db2.gz OPJCPNJVGFNGCD-RDBSUJKOSA-N 2 2 255.406 0.542 20 0 CCADLP O=C1CCCCN1CCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422861783 358193665 /nfs/dbraw/zinc/19/36/65/358193665.db2.gz OXVNICBDGMMTGK-ZBFHGGJFSA-N 2 2 295.427 0.746 20 0 CCADLP FC(F)COCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423066220 358196503 /nfs/dbraw/zinc/19/65/03/358196503.db2.gz DAGHMJJNKNTBAI-PWSUYJOCSA-N 2 2 264.316 0.625 20 0 CCADLP CCOC(=O)C1([C@H](C)[NH2+]CC(F)(F)CN)CC[NH2+]CC1 ZINC000423336328 358199099 /nfs/dbraw/zinc/19/90/99/358199099.db2.gz GSZRGVFXNHRWIG-JTQLQIEISA-N 2 2 293.358 0.491 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000423395421 358199958 /nfs/dbraw/zinc/19/99/58/358199958.db2.gz SUQMEPGLSPZEGR-QWHCGFSZSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000423395421 358199963 /nfs/dbraw/zinc/19/99/63/358199963.db2.gz SUQMEPGLSPZEGR-QWHCGFSZSA-N 2 2 283.416 0.602 20 0 CCADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])c1 ZINC000423444822 358201530 /nfs/dbraw/zinc/20/15/30/358201530.db2.gz MFUFSQSIDLREHG-AXFHLTTASA-N 2 2 285.413 0.981 20 0 CCADLP C[C@H](CCS(C)(=O)=O)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425339354 358214682 /nfs/dbraw/zinc/21/46/82/358214682.db2.gz CJJBKARYSHIRHA-SNVBAGLBSA-N 2 2 288.417 0.399 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC000430611783 358228193 /nfs/dbraw/zinc/22/81/93/358228193.db2.gz PMOAMJJDQALJIG-WDEREUQCSA-N 2 2 282.388 0.295 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC(=O)NC2CC2)C1 ZINC000430611783 358228194 /nfs/dbraw/zinc/22/81/94/358228194.db2.gz PMOAMJJDQALJIG-WDEREUQCSA-N 2 2 282.388 0.295 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC(C)(C)C)C1 ZINC000430933927 358229575 /nfs/dbraw/zinc/22/95/75/358229575.db2.gz MXLCNXZMQKDCMT-QWRGUYRKSA-N 2 2 284.404 0.541 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NC(C)(C)C)C1 ZINC000430933927 358229577 /nfs/dbraw/zinc/22/95/77/358229577.db2.gz MXLCNXZMQKDCMT-QWRGUYRKSA-N 2 2 284.404 0.541 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718915 283360556 /nfs/dbraw/zinc/36/05/56/283360556.db2.gz MRORYFFQVIOGDY-CHWSQXEVSA-N 2 2 296.415 0.638 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718915 283360557 /nfs/dbraw/zinc/36/05/57/283360557.db2.gz MRORYFFQVIOGDY-CHWSQXEVSA-N 2 2 296.415 0.638 20 0 CCADLP CN(C(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)C1CC1 ZINC000562383240 291148838 /nfs/dbraw/zinc/14/88/38/291148838.db2.gz RWRCLFQJKLUKLV-UHFFFAOYSA-N 2 2 263.345 0.153 20 0 CCADLP CN(C)c1ncc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cn1 ZINC000530179718 358373318 /nfs/dbraw/zinc/37/33/18/358373318.db2.gz VQDNVGIJALDCMP-LBPRGKRZSA-N 2 2 261.373 0.917 20 0 CCADLP FC(F)(F)Cn1cc[nH+]c1CNC[C@H]1COCC[NH2+]1 ZINC000530182446 358374367 /nfs/dbraw/zinc/37/43/67/358374367.db2.gz ULKCUWKSUYKSMQ-VIFPVBQESA-N 2 2 278.278 0.523 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cc(CO)ccc1F ZINC000530207713 358378810 /nfs/dbraw/zinc/37/88/10/358378810.db2.gz FEAGZBHLTSFHRQ-UHFFFAOYSA-N 2 2 295.358 0.182 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cc(CO)ccc1F ZINC000530207713 358378812 /nfs/dbraw/zinc/37/88/12/358378812.db2.gz FEAGZBHLTSFHRQ-UHFFFAOYSA-N 2 2 295.358 0.182 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000530575468 358408003 /nfs/dbraw/zinc/40/80/03/358408003.db2.gz BZUONRDVGPEOFN-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000530575468 358408006 /nfs/dbraw/zinc/40/80/06/358408006.db2.gz BZUONRDVGPEOFN-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)Cn1cc[nH+]c1 ZINC000531086171 358440331 /nfs/dbraw/zinc/44/03/31/358440331.db2.gz VSEUMLBJWAGJBS-NWDGAFQWSA-N 2 2 250.346 0.587 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)Cn1cc[nH+]c1 ZINC000531086171 358440334 /nfs/dbraw/zinc/44/03/34/358440334.db2.gz VSEUMLBJWAGJBS-NWDGAFQWSA-N 2 2 250.346 0.587 20 0 CCADLP CC(C)N1C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC1=O ZINC000567682215 358571735 /nfs/dbraw/zinc/57/17/35/358571735.db2.gz JXOVHHQTNSYUKA-AAEUAGOBSA-N 2 2 269.389 0.040 20 0 CCADLP CC(C)N1C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC1=O ZINC000567682215 358571736 /nfs/dbraw/zinc/57/17/36/358571736.db2.gz JXOVHHQTNSYUKA-AAEUAGOBSA-N 2 2 269.389 0.040 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](COC(F)F)C1 ZINC000567748577 358580897 /nfs/dbraw/zinc/58/08/97/358580897.db2.gz YTMPUEHFSJSTFO-NEPJUHHUSA-N 2 2 296.358 0.487 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](COC(F)F)C1 ZINC000567748577 358580900 /nfs/dbraw/zinc/58/09/00/358580900.db2.gz YTMPUEHFSJSTFO-NEPJUHHUSA-N 2 2 296.358 0.487 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000567748577 358580902 /nfs/dbraw/zinc/58/09/02/358580902.db2.gz YTMPUEHFSJSTFO-NEPJUHHUSA-N 2 2 296.358 0.487 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000567748577 358580905 /nfs/dbraw/zinc/58/09/05/358580905.db2.gz YTMPUEHFSJSTFO-NEPJUHHUSA-N 2 2 296.358 0.487 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567889308 358606492 /nfs/dbraw/zinc/60/64/92/358606492.db2.gz KEKAXKARWVAKOZ-GFCCVEGCSA-N 2 2 275.418 0.001 20 0 CCADLP CCS(=O)(=O)NCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567889308 358606495 /nfs/dbraw/zinc/60/64/95/358606495.db2.gz KEKAXKARWVAKOZ-GFCCVEGCSA-N 2 2 275.418 0.001 20 0 CCADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000567915697 358614022 /nfs/dbraw/zinc/61/40/22/358614022.db2.gz DPEGMIXPIJDMOX-AXFHLTTASA-N 2 2 277.372 0.309 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000568050794 358628625 /nfs/dbraw/zinc/62/86/25/358628625.db2.gz GHODDPYNXISOKY-CQSZACIVSA-N 2 2 298.818 0.827 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(N(C)C(C)=O)CC1 ZINC000568169072 358639481 /nfs/dbraw/zinc/63/94/81/358639481.db2.gz ASEOBQMWNVIDCN-AWEZNQCLSA-N 2 2 271.405 0.242 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(N(C)C(C)=O)CC1 ZINC000568169072 358639483 /nfs/dbraw/zinc/63/94/83/358639483.db2.gz ASEOBQMWNVIDCN-AWEZNQCLSA-N 2 2 271.405 0.242 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)OC)CC1 ZINC000568169787 358640718 /nfs/dbraw/zinc/64/07/18/358640718.db2.gz UEKMRSGIIHWLJL-QWHCGFSZSA-N 2 2 284.400 0.574 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)OC)CC1 ZINC000568169787 358640721 /nfs/dbraw/zinc/64/07/21/358640721.db2.gz UEKMRSGIIHWLJL-QWHCGFSZSA-N 2 2 284.400 0.574 20 0 CCADLP CCO[C@H]1C[C@@H]1[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000562487736 291155304 /nfs/dbraw/zinc/15/53/04/291155304.db2.gz ILFCYOOPFLLCHS-HOTGVXAUSA-N 2 2 297.443 0.550 20 0 CCADLP CCO[C@H]1C[C@@H]1[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000562487736 291155305 /nfs/dbraw/zinc/15/53/05/291155305.db2.gz ILFCYOOPFLLCHS-HOTGVXAUSA-N 2 2 297.443 0.550 20 0 CCADLP C[NH2+]CCC(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000568504495 358678665 /nfs/dbraw/zinc/67/86/65/358678665.db2.gz FVZWVCKQOXKOEO-UHFFFAOYSA-N 2 2 254.359 0.679 20 0 CCADLP C[NH2+]CCC(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000568504495 358678668 /nfs/dbraw/zinc/67/86/68/358678668.db2.gz FVZWVCKQOXKOEO-UHFFFAOYSA-N 2 2 254.359 0.679 20 0 CCADLP C[NH2+]C[C@@](C)(O)CN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000569250772 358749196 /nfs/dbraw/zinc/74/91/96/358749196.db2.gz SHDWPUXIYRMSHT-MRXNPFEDSA-N 2 2 295.402 0.914 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000569250772 358749197 /nfs/dbraw/zinc/74/91/97/358749197.db2.gz SHDWPUXIYRMSHT-MRXNPFEDSA-N 2 2 295.402 0.914 20 0 CCADLP C[C@H]1CN(c2cc(N3CCSCC3)[nH+]cn2)C[C@@H]1[NH3+] ZINC000569336486 358754324 /nfs/dbraw/zinc/75/43/24/358754324.db2.gz VBQQCSJOSFPKTQ-QWRGUYRKSA-N 2 2 279.413 0.813 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCC(C)(C)C)[C@H](C[NH3+])C1 ZINC000569092853 358731981 /nfs/dbraw/zinc/73/19/81/358731981.db2.gz PTINPDRDLAKHFY-LLVKDONJSA-N 2 2 256.394 0.707 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCC(C)(C)C)[C@H](C[NH3+])C1 ZINC000569092853 358731984 /nfs/dbraw/zinc/73/19/84/358731984.db2.gz PTINPDRDLAKHFY-LLVKDONJSA-N 2 2 256.394 0.707 20 0 CCADLP C[NH2+][C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000569572921 358774037 /nfs/dbraw/zinc/77/40/37/358774037.db2.gz HAMKUZIWJNSQLF-NSHDSACASA-N 2 2 286.339 0.486 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)CC1CC[NH2+]CC1 ZINC000569571306 358774114 /nfs/dbraw/zinc/77/41/14/358774114.db2.gz IQKSLFCSLZBWSL-UHFFFAOYSA-N 2 2 269.389 0.167 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000569576177 358774666 /nfs/dbraw/zinc/77/46/66/358774666.db2.gz FQUDHOUCTSAWAR-QWHCGFSZSA-N 2 2 284.404 0.006 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000569576177 358774669 /nfs/dbraw/zinc/77/46/69/358774669.db2.gz FQUDHOUCTSAWAR-QWHCGFSZSA-N 2 2 284.404 0.006 20 0 CCADLP CCOC[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000569588611 358776568 /nfs/dbraw/zinc/77/65/68/358776568.db2.gz PUHMAGZZPKYKSB-CABCVRRESA-N 2 2 288.432 0.674 20 0 CCADLP CCOC[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000569588611 358776569 /nfs/dbraw/zinc/77/65/69/358776569.db2.gz PUHMAGZZPKYKSB-CABCVRRESA-N 2 2 288.432 0.674 20 0 CCADLP CCOC[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000569588611 358776573 /nfs/dbraw/zinc/77/65/73/358776573.db2.gz PUHMAGZZPKYKSB-CABCVRRESA-N 2 2 288.432 0.674 20 0 CCADLP CCOC[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000569588611 358776574 /nfs/dbraw/zinc/77/65/74/358776574.db2.gz PUHMAGZZPKYKSB-CABCVRRESA-N 2 2 288.432 0.674 20 0 CCADLP CC(C)[C@@H](NC(=O)CCOC1C[NH2+]C1)c1[nH]cc[nH+]1 ZINC000569691755 358784728 /nfs/dbraw/zinc/78/47/28/358784728.db2.gz QJNVAIOPFRHEBS-GFCCVEGCSA-N 2 2 266.345 0.602 20 0 CCADLP C[N@@H+]1CCN(Cc2cccc3c2OCO3)[C@@H](C[NH3+])C1 ZINC000569809920 358794624 /nfs/dbraw/zinc/79/46/24/358794624.db2.gz CAJWGIJEQBIYNC-LBPRGKRZSA-N 2 2 263.341 0.490 20 0 CCADLP C[N@H+]1CCN(Cc2cccc3c2OCO3)[C@@H](C[NH3+])C1 ZINC000569809920 358794626 /nfs/dbraw/zinc/79/46/26/358794626.db2.gz CAJWGIJEQBIYNC-LBPRGKRZSA-N 2 2 263.341 0.490 20 0 CCADLP C[N@@H+]1CCc2ncnc(NC[C@@H]3CCC[C@H]([NH3+])C3)c2C1 ZINC000569913169 358804345 /nfs/dbraw/zinc/80/43/45/358804345.db2.gz ZBYYASRPAZLXIZ-NEPJUHHUSA-N 2 2 275.400 0.816 20 0 CCADLP C[N@H+]1CCc2ncnc(NC[C@@H]3CCC[C@H]([NH3+])C3)c2C1 ZINC000569913169 358804346 /nfs/dbraw/zinc/80/43/46/358804346.db2.gz ZBYYASRPAZLXIZ-NEPJUHHUSA-N 2 2 275.400 0.816 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000570526853 358867380 /nfs/dbraw/zinc/86/73/80/358867380.db2.gz CTMBLBOMBBBDPV-STQMWFEESA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000570526853 358867387 /nfs/dbraw/zinc/86/73/87/358867387.db2.gz CTMBLBOMBBBDPV-STQMWFEESA-N 2 2 294.399 0.551 20 0 CCADLP Cc1nn(C)c(N2CCOCC2)c1C[N@H+](C)CCC[NH3+] ZINC000570569269 358870384 /nfs/dbraw/zinc/87/03/84/358870384.db2.gz LDKNJBFPWROJHN-UHFFFAOYSA-N 2 2 281.404 0.346 20 0 CCADLP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+](C)CCC[NH3+] ZINC000570569269 358870386 /nfs/dbraw/zinc/87/03/86/358870386.db2.gz LDKNJBFPWROJHN-UHFFFAOYSA-N 2 2 281.404 0.346 20 0 CCADLP O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000570329954 358845797 /nfs/dbraw/zinc/84/57/97/358845797.db2.gz PYEOYXICQDMYLL-SDDRHHMPSA-N 2 2 289.383 0.453 20 0 CCADLP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000570628084 358875105 /nfs/dbraw/zinc/87/51/05/358875105.db2.gz IVTAQDZTBLAIRS-VXGBXAGGSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000570628084 358875109 /nfs/dbraw/zinc/87/51/09/358875109.db2.gz IVTAQDZTBLAIRS-VXGBXAGGSA-N 2 2 269.389 0.211 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000570894645 358897815 /nfs/dbraw/zinc/89/78/15/358897815.db2.gz UTWDRRXZBKORDO-UHFFFAOYSA-N 2 2 288.355 0.952 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000570981195 358900079 /nfs/dbraw/zinc/90/00/79/358900079.db2.gz HNUARDFWIXPINV-QWHCGFSZSA-N 2 2 286.416 0.963 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000570981195 358900084 /nfs/dbraw/zinc/90/00/84/358900084.db2.gz HNUARDFWIXPINV-QWHCGFSZSA-N 2 2 286.416 0.963 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000570981195 358900087 /nfs/dbraw/zinc/90/00/87/358900087.db2.gz HNUARDFWIXPINV-QWHCGFSZSA-N 2 2 286.416 0.963 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000570981195 358900093 /nfs/dbraw/zinc/90/00/93/358900093.db2.gz HNUARDFWIXPINV-QWHCGFSZSA-N 2 2 286.416 0.963 20 0 CCADLP COc1cc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])ccc1F ZINC000562761127 291166813 /nfs/dbraw/zinc/16/68/13/291166813.db2.gz LGDAUWVSESXKBO-NSHDSACASA-N 2 2 296.346 0.941 20 0 CCADLP COc1cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])ccc1F ZINC000562761127 291166816 /nfs/dbraw/zinc/16/68/16/291166816.db2.gz LGDAUWVSESXKBO-NSHDSACASA-N 2 2 296.346 0.941 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]([NH3+])C(C)(C)C)CCO1 ZINC000573612054 358984966 /nfs/dbraw/zinc/98/49/66/358984966.db2.gz XEVRJUZUZVHTMW-GHMZBOCLSA-N 2 2 257.378 0.197 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]([NH3+])C(C)(C)C)CCO1 ZINC000573612054 358984973 /nfs/dbraw/zinc/98/49/73/358984973.db2.gz XEVRJUZUZVHTMW-GHMZBOCLSA-N 2 2 257.378 0.197 20 0 CCADLP CCN(C)C(=O)CC[N@@H+]1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000573723941 358995258 /nfs/dbraw/zinc/99/52/58/358995258.db2.gz HQCQIROZBAMLSB-NWDGAFQWSA-N 2 2 257.378 0.293 20 0 CCADLP CCN(C)C(=O)CC[N@H+]1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000573723941 358995261 /nfs/dbraw/zinc/99/52/61/358995261.db2.gz HQCQIROZBAMLSB-NWDGAFQWSA-N 2 2 257.378 0.293 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000573769382 358998040 /nfs/dbraw/zinc/99/80/40/358998040.db2.gz NKHIWUBNDMDZHI-UHFFFAOYSA-N 2 2 273.340 0.812 20 0 CCADLP Cc1nc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])sc1C ZINC000573786366 358999582 /nfs/dbraw/zinc/99/95/82/358999582.db2.gz BAVSAUVPWBTKCV-NSHDSACASA-N 2 2 297.428 0.544 20 0 CCADLP Cc1nc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])sc1C ZINC000573786366 358999586 /nfs/dbraw/zinc/99/95/86/358999586.db2.gz BAVSAUVPWBTKCV-NSHDSACASA-N 2 2 297.428 0.544 20 0 CCADLP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)[C@@H](O)C(F)F ZINC000573802682 359000352 /nfs/dbraw/zinc/00/03/52/359000352.db2.gz SUOBIFQLPZJCKF-GARJFASQSA-N 2 2 266.332 0.436 20 0 CCADLP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)[C@@H](O)C(F)F ZINC000573802682 359000357 /nfs/dbraw/zinc/00/03/57/359000357.db2.gz SUOBIFQLPZJCKF-GARJFASQSA-N 2 2 266.332 0.436 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)C[NH+]1CC(C)(C)C1 ZINC000579970722 359070172 /nfs/dbraw/zinc/07/01/72/359070172.db2.gz JVWBAJQMZNRKPJ-UHFFFAOYSA-N 2 2 250.346 0.421 20 0 CCADLP Cc1nc(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c(C)s1 ZINC000580776573 359092914 /nfs/dbraw/zinc/09/29/14/359092914.db2.gz WOIBNLCTMVUOTN-LLVKDONJSA-N 2 2 282.413 0.404 20 0 CCADLP C[C@H](CC(=O)N1CC[N@H+](CCO)[C@@H](C)C1)n1cc[nH+]c1 ZINC000580954856 359114238 /nfs/dbraw/zinc/11/42/38/359114238.db2.gz FBQSVXCFOCUYGD-OLZOCXBDSA-N 2 2 280.372 0.359 20 0 CCADLP C[C@H](CC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1)n1cc[nH+]c1 ZINC000580954856 359114242 /nfs/dbraw/zinc/11/42/42/359114242.db2.gz FBQSVXCFOCUYGD-OLZOCXBDSA-N 2 2 280.372 0.359 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC[C@@H](C(N)=O)C2)n1C ZINC000579854052 359057465 /nfs/dbraw/zinc/05/74/65/359057465.db2.gz LPHXQMIOABWOTM-GHMZBOCLSA-N 2 2 250.346 0.862 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)C1 ZINC000584665301 359190234 /nfs/dbraw/zinc/19/02/34/359190234.db2.gz HWZRVCKHDICSSN-NEPJUHHUSA-N 3 2 278.404 0.631 20 0 CCADLP [NH3+]CC1(CC(=O)N2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000582600468 359149742 /nfs/dbraw/zinc/14/97/42/359149742.db2.gz PLHUUVUJHCQTPX-UHFFFAOYSA-N 2 2 288.395 0.855 20 0 CCADLP CC[C@@H](C)[NH+]1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000562947886 291174498 /nfs/dbraw/zinc/17/44/98/291174498.db2.gz SPNWAXNERCCRMN-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000589742651 359400974 /nfs/dbraw/zinc/40/09/74/359400974.db2.gz UXEYNIVJNHTVIA-CQSZACIVSA-N 2 2 298.431 0.491 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)NCCCC[NH+]1CCOCC1 ZINC000492772235 237290163 /nfs/dbraw/zinc/29/01/63/237290163.db2.gz IAURLNOHTYWVEJ-ARJAWSKDSA-N 2 2 278.356 0.652 20 0 CCADLP C[NH+](C)[C@]1(CNC(=O)C=Cc2c[nH]c[nH+]2)CCSC1 ZINC000492768128 237291653 /nfs/dbraw/zinc/29/16/53/237291653.db2.gz OKMPMSIITBMVQO-SCOBNMCVSA-N 2 2 280.397 0.976 20 0 CCADLP C[N@H+](CCO)C1CC[NH+](CCn2ccccc2=O)CC1 ZINC000591886960 359678216 /nfs/dbraw/zinc/67/82/16/359678216.db2.gz VJANEVYXGUNWAC-UHFFFAOYSA-N 2 2 279.384 0.237 20 0 CCADLP C[N@@H+](CCO)C1CC[NH+](CCn2ccccc2=O)CC1 ZINC000591886960 359678218 /nfs/dbraw/zinc/67/82/18/359678218.db2.gz VJANEVYXGUNWAC-UHFFFAOYSA-N 2 2 279.384 0.237 20 0 CCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591915324 359692337 /nfs/dbraw/zinc/69/23/37/359692337.db2.gz BDCVDBUPUZYHAC-RYUDHWBXSA-N 2 2 250.346 0.997 20 0 CCADLP C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591915324 359692341 /nfs/dbraw/zinc/69/23/41/359692341.db2.gz BDCVDBUPUZYHAC-RYUDHWBXSA-N 2 2 250.346 0.997 20 0 CCADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NC(C)C)CC[C@H]1[NH3+] ZINC000592488266 359855091 /nfs/dbraw/zinc/85/50/91/359855091.db2.gz IWVPCYBKKQBJDL-IJLUTSLNSA-N 2 2 284.404 0.668 20 0 CCADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NC(C)C)CC[C@H]1[NH3+] ZINC000592488266 359855099 /nfs/dbraw/zinc/85/50/99/359855099.db2.gz IWVPCYBKKQBJDL-IJLUTSLNSA-N 2 2 284.404 0.668 20 0 CCADLP CC[NH2+]CCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000563201565 291204791 /nfs/dbraw/zinc/20/47/91/291204791.db2.gz VTCKYSMCJDNCNV-UHFFFAOYSA-N 2 2 260.341 0.911 20 0 CCADLP CCNC(=O)CN1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000563353609 291216107 /nfs/dbraw/zinc/21/61/07/291216107.db2.gz DQZXNCBIJJWVCW-UHFFFAOYSA-N 2 2 293.415 0.106 20 0 CCADLP C[C@@H](O)CNc1cc(NCC[NH+]2CCSCC2)nc[nH+]1 ZINC000298258453 200374376 /nfs/dbraw/zinc/37/43/76/200374376.db2.gz OAFNEHMHRHJDCL-LLVKDONJSA-N 2 2 297.428 0.730 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCc2cc[nH]c(=O)c2C1 ZINC000563356396 291216420 /nfs/dbraw/zinc/21/64/20/291216420.db2.gz RZSWCFGHFCUNHU-GFCCVEGCSA-N 2 2 265.357 0.458 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCc2cc[nH]c(=O)c2C1 ZINC000563356396 291216421 /nfs/dbraw/zinc/21/64/21/291216421.db2.gz RZSWCFGHFCUNHU-GFCCVEGCSA-N 2 2 265.357 0.458 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000563356396 291216422 /nfs/dbraw/zinc/21/64/22/291216422.db2.gz RZSWCFGHFCUNHU-GFCCVEGCSA-N 2 2 265.357 0.458 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000563356396 291216424 /nfs/dbraw/zinc/21/64/24/291216424.db2.gz RZSWCFGHFCUNHU-GFCCVEGCSA-N 2 2 265.357 0.458 20 0 CCADLP COC(=O)[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1cccs1 ZINC000593902392 360201601 /nfs/dbraw/zinc/20/16/01/360201601.db2.gz SGMFREKUUUTEIY-GXSJLCMTSA-N 2 2 299.396 0.357 20 0 CCADLP COC(=O)[C@H](CC(C)(C)C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593907223 360204440 /nfs/dbraw/zinc/20/44/40/360204440.db2.gz LGVJCFGEGMFQSR-MNOVXSKESA-N 2 2 287.404 0.359 20 0 CCADLP O=C(N[C@@H]1CC[NH2+]C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178457475 189118179 /nfs/dbraw/zinc/11/81/79/189118179.db2.gz ALIVWWKNAMPKFO-GFCCVEGCSA-N 2 2 256.309 0.964 20 0 CCADLP CCC[C@](C)([NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1)C(=O)OC ZINC000595890047 360691429 /nfs/dbraw/zinc/69/14/29/360691429.db2.gz BAEOLRJUFJHJNC-AAEUAGOBSA-N 2 2 270.373 0.829 20 0 CCADLP C[NH2+]CCC[N@H+](C)[C@@H]1CCCN(CCC(=O)OC)C1=O ZINC000595890981 360692290 /nfs/dbraw/zinc/69/22/90/360692290.db2.gz GWGNYJGLPYLTPE-GFCCVEGCSA-N 2 2 285.388 0.082 20 0 CCADLP C[NH2+]CCC[N@@H+](C)[C@@H]1CCCN(CCC(=O)OC)C1=O ZINC000595890981 360692294 /nfs/dbraw/zinc/69/22/94/360692294.db2.gz GWGNYJGLPYLTPE-GFCCVEGCSA-N 2 2 285.388 0.082 20 0 CCADLP COC(=O)[C@H](C1CC1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595906321 360700177 /nfs/dbraw/zinc/70/01/77/360700177.db2.gz JLVZWPHJZZWKJL-KGLIPLIRSA-N 2 2 284.400 0.981 20 0 CCADLP COC(=O)[C@H](C1CC1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595906321 360700181 /nfs/dbraw/zinc/70/01/81/360700181.db2.gz JLVZWPHJZZWKJL-KGLIPLIRSA-N 2 2 284.400 0.981 20 0 CCADLP COC(=O)[C@](C)(CCF)[NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000595912001 360702072 /nfs/dbraw/zinc/70/20/72/360702072.db2.gz XOPQRTSTOBPKLE-JQWIXIFHSA-N 2 2 274.336 0.388 20 0 CCADLP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cnccn1 ZINC000178670926 189136026 /nfs/dbraw/zinc/13/60/26/189136026.db2.gz XEBMMJCQVUAAAW-GFCCVEGCSA-N 2 2 277.372 0.291 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)c2csc(C[NH3+])n2)C[C@@H]1C ZINC000178775885 189145415 /nfs/dbraw/zinc/14/54/15/189145415.db2.gz WLTMOVVFMLIXEP-JTQLQIEISA-N 2 2 298.412 0.395 20 0 CCADLP COCC[N@H+]1CCN(C(=O)c2csc(C[NH3+])n2)C[C@@H]1C ZINC000178775885 189145416 /nfs/dbraw/zinc/14/54/16/189145416.db2.gz WLTMOVVFMLIXEP-JTQLQIEISA-N 2 2 298.412 0.395 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493593801 238226550 /nfs/dbraw/zinc/22/65/50/238226550.db2.gz YHUZNSDKKRQXHS-ITKZLYELSA-N 2 2 278.356 0.650 20 0 CCADLP COCC[N@H+]1CCC[C@H]1CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493593801 238226560 /nfs/dbraw/zinc/22/65/60/238226560.db2.gz YHUZNSDKKRQXHS-ITKZLYELSA-N 2 2 278.356 0.650 20 0 CCADLP Cn1c2ccccc2[nH+]c1NC[C@H](O)C[NH+]1CCOCC1 ZINC000179279396 189182831 /nfs/dbraw/zinc/18/28/31/189182831.db2.gz WTCYRXXGEDGLCE-LBPRGKRZSA-N 2 2 290.367 0.678 20 0 CCADLP CN(C(=O)/C=C\c1[nH]cc[nH+]1)[C@H]1C[NH+]2CCC1CC2 ZINC000493799141 238389384 /nfs/dbraw/zinc/38/93/84/238389384.db2.gz ZQBHNPGHEJWKPT-DLGQBQFBSA-N 2 2 260.341 0.976 20 0 CCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC000597328676 361062201 /nfs/dbraw/zinc/06/22/01/361062201.db2.gz MARTWKWNBCSAFD-GFCCVEGCSA-N 2 2 297.399 0.176 20 0 CCADLP CN(Cc1cnn(C)c1)C(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000563960428 291261318 /nfs/dbraw/zinc/26/13/18/291261318.db2.gz QEDRKTNGUWNCQH-AWEZNQCLSA-N 2 2 279.388 0.096 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621645463 366815273 /nfs/dbraw/zinc/81/52/73/366815273.db2.gz HAMSHAMKEJMNHN-KBPBESRZSA-N 2 2 283.416 0.603 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621645463 366815280 /nfs/dbraw/zinc/81/52/80/366815280.db2.gz HAMSHAMKEJMNHN-KBPBESRZSA-N 2 2 283.416 0.603 20 0 CCADLP C[NH2+][C@H](C(=O)N(C)CCCn1cc[nH+]c1)c1cnn(C)c1 ZINC000564449721 291280005 /nfs/dbraw/zinc/28/00/05/291280005.db2.gz GHRQRECAVCFJGG-ZDUSSCGKSA-N 2 2 290.371 0.426 20 0 CCADLP CCOC(=O)C[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000599316187 361650197 /nfs/dbraw/zinc/65/01/97/361650197.db2.gz MEMWCCJMPAWHCL-QWHCGFSZSA-N 2 2 272.389 0.574 20 0 CCADLP CCOC(=O)C[C@@H](O)C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000599316187 361650199 /nfs/dbraw/zinc/65/01/99/361650199.db2.gz MEMWCCJMPAWHCL-QWHCGFSZSA-N 2 2 272.389 0.574 20 0 CCADLP CCOC(=O)C[C@@H](O)C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000599316187 361650200 /nfs/dbraw/zinc/65/02/00/361650200.db2.gz MEMWCCJMPAWHCL-QWHCGFSZSA-N 2 2 272.389 0.574 20 0 CCADLP CCOC(=O)C[C@@H](O)C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000599316187 361650203 /nfs/dbraw/zinc/65/02/03/361650203.db2.gz MEMWCCJMPAWHCL-QWHCGFSZSA-N 2 2 272.389 0.574 20 0 CCADLP CCc1cc(NC[C@](C)(O)C[NH+]2CCOCC2)nc(C)[nH+]1 ZINC000302068029 201330028 /nfs/dbraw/zinc/33/00/28/201330028.db2.gz DFJRULRIYCGXDC-HNNXBMFYSA-N 2 2 294.399 0.843 20 0 CCADLP CO[C@@H]1CC[C@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000611977338 363820561 /nfs/dbraw/zinc/82/05/61/363820561.db2.gz JGDVPSCGYZRWHE-DZGCQCFKSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1C[N@H+](C)CCO1 ZINC000612669350 363984514 /nfs/dbraw/zinc/98/45/14/363984514.db2.gz GEJWRAYRAGKULI-SFTQSGBHSA-N 2 2 292.383 0.359 20 0 CCADLP C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000612669350 363984520 /nfs/dbraw/zinc/98/45/20/363984520.db2.gz GEJWRAYRAGKULI-SFTQSGBHSA-N 2 2 292.383 0.359 20 0 CCADLP O=C(N[C@@H]1CC12CC[NH2+]CC2)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000612988266 364073591 /nfs/dbraw/zinc/07/35/91/364073591.db2.gz PQYCJFKEVQZRHI-GXFFZTMASA-N 2 2 289.383 0.708 20 0 CCADLP O=C(N[C@@H]1CC12CC[NH2+]CC2)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000612988266 364073599 /nfs/dbraw/zinc/07/35/99/364073599.db2.gz PQYCJFKEVQZRHI-GXFFZTMASA-N 2 2 289.383 0.708 20 0 CCADLP [NH3+][C@H]1CCCCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000631835018 370700591 /nfs/dbraw/zinc/70/05/91/370700591.db2.gz KMLMKHGVBWZIRM-ZDUSSCGKSA-N 3 2 268.405 0.012 20 0 CCADLP [NH3+][C@H]1CCCCC[N@@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000631835018 370700594 /nfs/dbraw/zinc/70/05/94/370700594.db2.gz KMLMKHGVBWZIRM-ZDUSSCGKSA-N 3 2 268.405 0.012 20 0 CCADLP [NH3+][C@@H]1CCCCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000631835431 370701160 /nfs/dbraw/zinc/70/11/60/370701160.db2.gz USSHABUIAPOLFN-OLZOCXBDSA-N 3 2 253.390 0.711 20 0 CCADLP [NH3+][C@@H]1CCCCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000631835431 370701165 /nfs/dbraw/zinc/70/11/65/370701165.db2.gz USSHABUIAPOLFN-OLZOCXBDSA-N 3 2 253.390 0.711 20 0 CCADLP FC(F)[C@@H]1CC[N@H+](C[C@H]2C[NH2+]CCO2)CCO1 ZINC000631866255 370725846 /nfs/dbraw/zinc/72/58/46/370725846.db2.gz VSNPBDNAFPEORP-ZJUUUORDSA-N 2 2 250.289 0.331 20 0 CCADLP FC(F)[C@@H]1CC[N@@H+](C[C@H]2C[NH2+]CCO2)CCO1 ZINC000631866255 370725848 /nfs/dbraw/zinc/72/58/48/370725848.db2.gz VSNPBDNAFPEORP-ZJUUUORDSA-N 2 2 250.289 0.331 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000631866155 370725854 /nfs/dbraw/zinc/72/58/54/370725854.db2.gz URHCAPCBHWPJIG-GXSJLCMTSA-N 2 2 252.305 0.313 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000631866155 370725856 /nfs/dbraw/zinc/72/58/56/370725856.db2.gz URHCAPCBHWPJIG-GXSJLCMTSA-N 2 2 252.305 0.313 20 0 CCADLP C[C@H]1[C@H](NC(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3C)CCC[N@@H+]1C ZINC000413442279 291308520 /nfs/dbraw/zinc/30/85/20/291308520.db2.gz QGEPMJUANQZLAG-DGAVXFQQSA-N 2 2 296.415 0.194 20 0 CCADLP C[C@H]1[C@H](NC(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3C)CCC[N@H+]1C ZINC000413442279 291308521 /nfs/dbraw/zinc/30/85/21/291308521.db2.gz QGEPMJUANQZLAG-DGAVXFQQSA-N 2 2 296.415 0.194 20 0 CCADLP C[C@H]1[C@H](NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)CCC[NH+]1C ZINC000413442279 291308522 /nfs/dbraw/zinc/30/85/22/291308522.db2.gz QGEPMJUANQZLAG-DGAVXFQQSA-N 2 2 296.415 0.194 20 0 CCADLP C[C@H]1[C@H](NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)CCC[NH+]1C ZINC000413442279 291308523 /nfs/dbraw/zinc/30/85/23/291308523.db2.gz QGEPMJUANQZLAG-DGAVXFQQSA-N 2 2 296.415 0.194 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000614070941 364489376 /nfs/dbraw/zinc/48/93/76/364489376.db2.gz MLUCOMRPROOLQJ-SWLSCSKDSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000614070941 364489381 /nfs/dbraw/zinc/48/93/81/364489381.db2.gz MLUCOMRPROOLQJ-SWLSCSKDSA-N 2 2 294.399 0.503 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000614103432 364503888 /nfs/dbraw/zinc/50/38/88/364503888.db2.gz BQZPAEKKUWQSJZ-QWHCGFSZSA-N 2 2 280.347 0.836 20 0 CCADLP C[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ncon2)C1)[NH+](C)C ZINC000614664564 364696581 /nfs/dbraw/zinc/69/65/81/364696581.db2.gz VWOGOIORWCRXAL-NWDGAFQWSA-N 2 2 295.387 0.348 20 0 CCADLP C[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ncon2)C1)[NH+](C)C ZINC000614664564 364696583 /nfs/dbraw/zinc/69/65/83/364696583.db2.gz VWOGOIORWCRXAL-NWDGAFQWSA-N 2 2 295.387 0.348 20 0 CCADLP COC(=O)[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C(C)(C)C ZINC000614697109 364701530 /nfs/dbraw/zinc/70/15/30/364701530.db2.gz WHMHHMDMUYXOKE-ZDUSSCGKSA-N 2 2 299.415 0.328 20 0 CCADLP Cc1ccn2cc(CNC(=O)N[C@H]3CC[NH2+]C3)[nH+]c2c1 ZINC000335636186 212350934 /nfs/dbraw/zinc/35/09/34/212350934.db2.gz XLZGQDNIXZSPHH-NSHDSACASA-N 2 2 273.340 0.804 20 0 CCADLP CCOC1CC(C[NH2+][C@@H]2CCC[NH2+]C2)(N2CCOCC2)C1 ZINC000564973664 291328656 /nfs/dbraw/zinc/32/86/56/291328656.db2.gz NSTXGUZDYNOBPZ-QQFBHYJXSA-N 2 2 297.443 0.598 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCC2(COC(=O)N2)CC1 ZINC000496417147 240048650 /nfs/dbraw/zinc/04/86/50/240048650.db2.gz QCBCIEXHTYRVQF-UHFFFAOYSA-N 2 2 264.329 0.766 20 0 CCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000335603612 212315532 /nfs/dbraw/zinc/31/55/32/212315532.db2.gz BMQJULVODAVJBF-PHIMTYICSA-N 2 2 262.357 0.915 20 0 CCADLP NC(=O)CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000564975355 291328955 /nfs/dbraw/zinc/32/89/55/291328955.db2.gz LTFXQJGDVJYZGB-CABCVRRESA-N 2 2 291.395 0.334 20 0 CCADLP NC(=O)CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000564975355 291328957 /nfs/dbraw/zinc/32/89/57/291328957.db2.gz LTFXQJGDVJYZGB-CABCVRRESA-N 2 2 291.395 0.334 20 0 CCADLP CC[C@H](O)[C@H](CC)[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000564975778 291329170 /nfs/dbraw/zinc/32/91/70/291329170.db2.gz MSQRNSNBELDZQM-AICCOOGYSA-N 2 2 288.432 0.596 20 0 CCADLP CC[C@H](O)[C@H](CC)[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000564975778 291329173 /nfs/dbraw/zinc/32/91/73/291329173.db2.gz MSQRNSNBELDZQM-AICCOOGYSA-N 2 2 288.432 0.596 20 0 CCADLP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000615312525 364917267 /nfs/dbraw/zinc/91/72/67/364917267.db2.gz GHBGFRCFRVMJKX-DYEKYZERSA-N 2 2 276.384 0.997 20 0 CCADLP C[NH+](C)CC1CN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000615505245 364987009 /nfs/dbraw/zinc/98/70/09/364987009.db2.gz GUYPEHJWRAGGPD-UHFFFAOYSA-N 2 2 269.389 0.117 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000617010276 365517510 /nfs/dbraw/zinc/51/75/10/365517510.db2.gz MKGVFVMKQXTOMK-NSHDSACASA-N 2 2 264.373 0.952 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000617010276 365517513 /nfs/dbraw/zinc/51/75/13/365517513.db2.gz MKGVFVMKQXTOMK-NSHDSACASA-N 2 2 264.373 0.952 20 0 CCADLP COCCn1cc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cn1 ZINC000622003672 366975408 /nfs/dbraw/zinc/97/54/08/366975408.db2.gz DEQBIGWGWAVTRA-KBPBESRZSA-N 2 2 264.373 0.843 20 0 CCADLP COCCn1cc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)cn1 ZINC000622003672 366975414 /nfs/dbraw/zinc/97/54/14/366975414.db2.gz DEQBIGWGWAVTRA-KBPBESRZSA-N 2 2 264.373 0.843 20 0 CCADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@H](O)COCc1ccccc1 ZINC000565302229 291370153 /nfs/dbraw/zinc/37/01/53/291370153.db2.gz AWJZEMHJHYTPLV-GJZGRUSLSA-N 2 2 282.384 0.076 20 0 CCADLP C[NH+](C)C1(CS(=O)(=O)N2CCOc3cc[nH+]cc32)CC1 ZINC000632077011 370860427 /nfs/dbraw/zinc/86/04/27/370860427.db2.gz RXNGIHKTGIMGQM-UHFFFAOYSA-N 2 2 297.380 0.704 20 0 CCADLP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623179056 367467650 /nfs/dbraw/zinc/46/76/50/367467650.db2.gz 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0.241 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2COCC[NH+]2C)C[N@H+]1C1CC1 ZINC000623734940 367641101 /nfs/dbraw/zinc/64/11/01/367641101.db2.gz HXLIMFFMUZVJKV-YRGRVCCFSA-N 2 2 296.415 0.241 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2COCC[N@@H+]2C)C[NH+]1C1CC1 ZINC000623734940 367641104 /nfs/dbraw/zinc/64/11/04/367641104.db2.gz HXLIMFFMUZVJKV-YRGRVCCFSA-N 2 2 296.415 0.241 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2COCC[N@H+]2C)C[NH+]1C1CC1 ZINC000623734940 367641108 /nfs/dbraw/zinc/64/11/08/367641108.db2.gz HXLIMFFMUZVJKV-YRGRVCCFSA-N 2 2 296.415 0.241 20 0 CCADLP COc1ccc(C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000623756755 367644274 /nfs/dbraw/zinc/64/42/74/367644274.db2.gz DYQVEFIXUVNZQY-CYBMUJFWSA-N 2 2 250.342 0.851 20 0 CCADLP COc1ccc(C[NH2+]CC[N@H+]2CC[C@@H](O)C2)cc1 ZINC000623756755 367644279 /nfs/dbraw/zinc/64/42/79/367644279.db2.gz DYQVEFIXUVNZQY-CYBMUJFWSA-N 2 2 250.342 0.851 20 0 CCADLP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000566341987 291396084 /nfs/dbraw/zinc/39/60/84/291396084.db2.gz SCUFZLAPRPPBNB-LBPRGKRZSA-N 2 2 298.412 0.271 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NCCn1cc[nH+]c1)CC2 ZINC000624075516 367744226 /nfs/dbraw/zinc/74/42/26/367744226.db2.gz ISLHROZJMXUHKB-GFCCVEGCSA-N 2 2 273.340 0.767 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)C1CC[NH+](C)CC1 ZINC000624085312 367747996 /nfs/dbraw/zinc/74/79/96/367747996.db2.gz MIXYVIDRAUNHBS-ZFWWWQNUSA-N 3 2 296.459 0.646 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)C1CC[NH+](C)CC1 ZINC000624085312 367748001 /nfs/dbraw/zinc/74/80/01/367748001.db2.gz MIXYVIDRAUNHBS-ZFWWWQNUSA-N 3 2 296.459 0.646 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCOCC1 ZINC000624085301 367748306 /nfs/dbraw/zinc/74/83/06/367748306.db2.gz LYLJXZUZEKEOEF-OLZOCXBDSA-N 2 2 269.389 0.485 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCOCC1 ZINC000624085301 367748307 /nfs/dbraw/zinc/74/83/07/367748307.db2.gz LYLJXZUZEKEOEF-OLZOCXBDSA-N 2 2 269.389 0.485 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)[C@@]1(C)CCCO1 ZINC000624086020 367749808 /nfs/dbraw/zinc/74/98/08/367749808.db2.gz PMGCJFFXQLXZCO-VNHYZAJKSA-N 2 2 283.416 0.873 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)[C@@]1(C)CCCO1 ZINC000624086020 367749811 /nfs/dbraw/zinc/74/98/11/367749811.db2.gz PMGCJFFXQLXZCO-VNHYZAJKSA-N 2 2 283.416 0.873 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c2nccn21 ZINC000624086723 367749935 /nfs/dbraw/zinc/74/99/35/367749935.db2.gz STJIIOWKPPWTCC-AVGNSLFASA-N 2 2 291.399 0.818 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c2nccn21 ZINC000624086723 367749936 /nfs/dbraw/zinc/74/99/36/367749936.db2.gz STJIIOWKPPWTCC-AVGNSLFASA-N 2 2 291.399 0.818 20 0 CCADLP C[N@@H+]1CC[C@@](O)(CNc2nc3ccccc3n3c[nH+]cc23)C1 ZINC000624103992 367756734 /nfs/dbraw/zinc/75/67/34/367756734.db2.gz UUDXFZQUFKWOOT-MRXNPFEDSA-N 2 2 297.362 0.783 20 0 CCADLP C[N@H+]1CC[C@@](O)(CNc2nc3ccccc3n3c[nH+]cc23)C1 ZINC000624103992 367756738 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C[N@H+]1CCOC[C@@H]1CNC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000624324552 367832724 /nfs/dbraw/zinc/83/27/24/367832724.db2.gz ODDOMFHJKVLEQR-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000624324552 367832731 /nfs/dbraw/zinc/83/27/31/367832731.db2.gz ODDOMFHJKVLEQR-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000624324552 367832735 /nfs/dbraw/zinc/83/27/35/367832735.db2.gz ODDOMFHJKVLEQR-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP CCC(CC)[NH2+]CCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000624356230 367845726 /nfs/dbraw/zinc/84/57/26/367845726.db2.gz SANJRYBUQPNVIW-UHFFFAOYSA-N 2 2 266.393 0.858 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000262701751 284004064 /nfs/dbraw/zinc/00/40/64/284004064.db2.gz IREQHNNKVZYRDC-AWEZNQCLSA-N 2 2 271.405 0.731 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000262701751 284004068 /nfs/dbraw/zinc/00/40/68/284004068.db2.gz IREQHNNKVZYRDC-AWEZNQCLSA-N 2 2 271.405 0.731 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000262713420 284006046 /nfs/dbraw/zinc/00/60/46/284006046.db2.gz SLFCQVSVSBREQP-DYEKYZERSA-N 2 2 271.405 0.729 20 0 CCADLP Cc1nc(NCC[N@@H+]2CC[C@@H](O)C2)c2c([nH+]1)CCCC2 ZINC000624680529 367953418 /nfs/dbraw/zinc/95/34/18/367953418.db2.gz YFMIGYXBDWAATG-GFCCVEGCSA-N 2 2 276.384 0.564 20 0 CCADLP Cc1nc(NCC[N@H+]2CC[C@@H](O)C2)c2c([nH+]1)CCCC2 ZINC000624680529 367953423 /nfs/dbraw/zinc/95/34/23/367953423.db2.gz YFMIGYXBDWAATG-GFCCVEGCSA-N 2 2 276.384 0.564 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000624939898 368024245 /nfs/dbraw/zinc/02/42/45/368024245.db2.gz RAQNSHUCQNFDQU-NSHDSACASA-N 2 2 251.334 0.645 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000624939898 368024253 /nfs/dbraw/zinc/02/42/53/368024253.db2.gz RAQNSHUCQNFDQU-NSHDSACASA-N 2 2 251.334 0.645 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000624939898 368024260 /nfs/dbraw/zinc/02/42/60/368024260.db2.gz RAQNSHUCQNFDQU-NSHDSACASA-N 2 2 251.334 0.645 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000624939898 368024266 /nfs/dbraw/zinc/02/42/66/368024266.db2.gz RAQNSHUCQNFDQU-NSHDSACASA-N 2 2 251.334 0.645 20 0 CCADLP COCC[N@H+](C)CCNC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000625132588 368072837 /nfs/dbraw/zinc/07/28/37/368072837.db2.gz FLHLYRREDLOYEC-ZDUSSCGKSA-N 2 2 294.399 0.448 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000625132588 368072843 /nfs/dbraw/zinc/07/28/43/368072843.db2.gz FLHLYRREDLOYEC-ZDUSSCGKSA-N 2 2 294.399 0.448 20 0 CCADLP C[C@@H]([NH2+]C1CC1)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000449146543 296113154 /nfs/dbraw/zinc/11/31/54/296113154.db2.gz NTNKYQLUMQGFIN-OCCSQVGLSA-N 2 2 281.400 0.450 20 0 CCADLP Cn1cc[nH+]c1CN1CCC([NH+]2CCOCC2)CC1 ZINC000625544746 368237521 /nfs/dbraw/zinc/23/75/21/368237521.db2.gz AFLCETDKIKVBGG-UHFFFAOYSA-N 2 2 264.373 0.717 20 0 CCADLP C([C@@H]1CCOC1)[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625546385 368238942 /nfs/dbraw/zinc/23/89/42/368238942.db2.gz PLLFIXGWUXXMRK-ZDUSSCGKSA-N 2 2 254.374 0.820 20 0 CCADLP Cn1ccc(C[NH+]2CCC([NH+]3CCOCC3)CC2)cc1=O ZINC000625552107 368242549 /nfs/dbraw/zinc/24/25/49/368242549.db2.gz JUELAHHFEPXDGW-UHFFFAOYSA-N 2 2 291.395 0.682 20 0 CCADLP O=C(CC[N@@H+]1CCc2[nH+]c[nH]c2C1)N1CCOCC1 ZINC000625438430 368201156 /nfs/dbraw/zinc/20/11/56/368201156.db2.gz QTWOTTTZWPJZCK-UHFFFAOYSA-N 2 2 264.329 0.017 20 0 CCADLP O=C(CC[N@H+]1CCc2[nH+]c[nH]c2C1)N1CCOCC1 ZINC000625438430 368201159 /nfs/dbraw/zinc/20/11/59/368201159.db2.gz QTWOTTTZWPJZCK-UHFFFAOYSA-N 2 2 264.329 0.017 20 0 CCADLP O=C(N1CCC(n2cc[nH+]c2)CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000566621130 291427617 /nfs/dbraw/zinc/42/76/17/291427617.db2.gz AZXWIBLPFUHBNA-RISCZKNCSA-N 2 2 260.341 0.799 20 0 CCADLP CCN(CC[NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000626979154 368710058 /nfs/dbraw/zinc/71/00/58/368710058.db2.gz RGZVADPEEWOXFW-ZDUSSCGKSA-N 3 2 297.447 0.145 20 0 CCADLP CCN(CC[NH3+])C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000626979154 368710063 /nfs/dbraw/zinc/71/00/63/368710063.db2.gz RGZVADPEEWOXFW-ZDUSSCGKSA-N 3 2 297.447 0.145 20 0 CCADLP C[NH2+]CCOCCNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000626934845 368686108 /nfs/dbraw/zinc/68/61/08/368686108.db2.gz OXSJBDBFFZPYIJ-UHFFFAOYSA-N 2 2 295.387 0.183 20 0 CCADLP C[C@H]1CC[C@@H](NC(=O)NCCc2cn(C)c[nH+]2)C[NH2+]1 ZINC000627057454 368760801 /nfs/dbraw/zinc/76/08/01/368760801.db2.gz ISEQQUYGFHOGAB-WDEREUQCSA-N 2 2 265.361 0.402 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000627041030 368751884 /nfs/dbraw/zinc/75/18/84/368751884.db2.gz ZDHCAGWXPNPJCK-JFGNBEQYSA-N 2 2 277.372 0.707 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000627041030 368751890 /nfs/dbraw/zinc/75/18/90/368751890.db2.gz ZDHCAGWXPNPJCK-JFGNBEQYSA-N 2 2 277.372 0.707 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NCCC1CC[NH2+]CC1 ZINC000627112603 368805082 /nfs/dbraw/zinc/80/50/82/368805082.db2.gz YYIVAKOAQKWIQN-CYBMUJFWSA-N 2 2 284.404 0.006 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)NCCC1CC[NH2+]CC1 ZINC000627112603 368805085 /nfs/dbraw/zinc/80/50/85/368805085.db2.gz YYIVAKOAQKWIQN-CYBMUJFWSA-N 2 2 284.404 0.006 20 0 CCADLP [NH3+]CCCOCCNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000627216441 368887277 /nfs/dbraw/zinc/88/72/77/368887277.db2.gz VETSZSYFZPIMCN-UHFFFAOYSA-N 2 2 295.387 0.664 20 0 CCADLP [NH3+]CCCOCCNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000627216441 368887282 /nfs/dbraw/zinc/88/72/82/368887282.db2.gz VETSZSYFZPIMCN-UHFFFAOYSA-N 2 2 295.387 0.664 20 0 CCADLP O=C(N[C@@H]1CC[NH2+]C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000627247303 368912278 /nfs/dbraw/zinc/91/22/78/368912278.db2.gz JCYPEIZLIJFQMD-CYBMUJFWSA-N 2 2 294.424 0.937 20 0 CCADLP C[NH2+]CCOCCNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000627178443 368850755 /nfs/dbraw/zinc/85/07/55/368850755.db2.gz RWPHAUUHUYXOPP-GFCCVEGCSA-N 2 2 295.387 0.882 20 0 CCADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000627618277 369055636 /nfs/dbraw/zinc/05/56/36/369055636.db2.gz MVEBZTGVUOBRSM-CYBMUJFWSA-N 2 2 269.389 0.260 20 0 CCADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[NH+](CCCF)CC1 ZINC000627960098 369147886 /nfs/dbraw/zinc/14/78/86/369147886.db2.gz NQLOXEBYIIIKMM-ZDUSSCGKSA-N 2 2 294.374 0.949 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cn(C2CC2)nn1 ZINC000628062887 369174244 /nfs/dbraw/zinc/17/42/44/369174244.db2.gz SROQHXMSASNXCT-UHFFFAOYSA-N 2 2 294.403 0.226 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cn(C2CC2)nn1 ZINC000628062887 369174252 /nfs/dbraw/zinc/17/42/52/369174252.db2.gz SROQHXMSASNXCT-UHFFFAOYSA-N 2 2 294.403 0.226 20 0 CCADLP CCn1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c(C)n1 ZINC000628062687 369174593 /nfs/dbraw/zinc/17/45/93/369174593.db2.gz NOUXYXPTYYMSSX-UHFFFAOYSA-N 2 2 295.431 0.825 20 0 CCADLP CCn1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(C)n1 ZINC000628062687 369174601 /nfs/dbraw/zinc/17/46/01/369174601.db2.gz NOUXYXPTYYMSSX-UHFFFAOYSA-N 2 2 295.431 0.825 20 0 CCADLP Cc1ncc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)o1 ZINC000628214289 369214081 /nfs/dbraw/zinc/21/40/81/369214081.db2.gz RRGBBTVIPPXLEU-GFCCVEGCSA-N 2 2 280.372 0.660 20 0 CCADLP Cc1ncc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)o1 ZINC000628214289 369214086 /nfs/dbraw/zinc/21/40/86/369214086.db2.gz RRGBBTVIPPXLEU-GFCCVEGCSA-N 2 2 280.372 0.660 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(Cc2[nH]cc(C)[nH+]2)CC1 ZINC000628185841 369208078 /nfs/dbraw/zinc/20/80/78/369208078.db2.gz NVGKEJMUBNQCHN-GFCCVEGCSA-N 2 2 252.362 0.607 20 0 CCADLP Cc1[nH]c(CN2CC[N@H+](CCO)[C@H](C)C2)[nH+]c1C ZINC000628242099 369221875 /nfs/dbraw/zinc/22/18/75/369221875.db2.gz RTSNEFOGTCFOLC-SNVBAGLBSA-N 2 2 252.362 0.525 20 0 CCADLP Cc1[nH]c(CN2CC[N@@H+](CCO)[C@H](C)C2)[nH+]c1C ZINC000628242099 369221880 /nfs/dbraw/zinc/22/18/80/369221880.db2.gz RTSNEFOGTCFOLC-SNVBAGLBSA-N 2 2 252.362 0.525 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000628916919 369455756 /nfs/dbraw/zinc/45/57/56/369455756.db2.gz HILAHPTXSIINHM-LBPRGKRZSA-N 2 2 292.383 0.209 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000628916919 369455762 /nfs/dbraw/zinc/45/57/62/369455762.db2.gz HILAHPTXSIINHM-LBPRGKRZSA-N 2 2 292.383 0.209 20 0 CCADLP CN(CCC[NH+](C)C)C(=O)C1([NH+]2CCOCC2)CC1 ZINC000632301301 370972642 /nfs/dbraw/zinc/97/26/42/370972642.db2.gz UIVTXTYZZAQRDI-UHFFFAOYSA-N 2 2 269.389 0.261 20 0 CCADLP COc1ccncc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629579523 369722544 /nfs/dbraw/zinc/72/25/44/369722544.db2.gz FLZKUSYLQBJKMV-CYBMUJFWSA-N 2 2 265.357 0.637 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000629512598 369688136 /nfs/dbraw/zinc/68/81/36/369688136.db2.gz DCVSFICTLPOACJ-AVGNSLFASA-N 3 2 268.405 0.043 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000629512598 369688141 /nfs/dbraw/zinc/68/81/41/369688141.db2.gz DCVSFICTLPOACJ-AVGNSLFASA-N 3 2 268.405 0.043 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000629516115 369689456 /nfs/dbraw/zinc/68/94/56/369689456.db2.gz YBUYZPPREQDDIT-YJNKXOJESA-N 3 2 294.443 0.304 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000629516115 369689460 /nfs/dbraw/zinc/68/94/60/369689460.db2.gz YBUYZPPREQDDIT-YJNKXOJESA-N 3 2 294.443 0.304 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCO[C@H](CCF)C1 ZINC000629581175 369724744 /nfs/dbraw/zinc/72/47/44/369724744.db2.gz QHFZSIFNNILUDQ-PMPSAXMXSA-N 2 2 296.386 0.978 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCO[C@H](CCF)C1 ZINC000629581175 369724747 /nfs/dbraw/zinc/72/47/47/369724747.db2.gz QHFZSIFNNILUDQ-PMPSAXMXSA-N 2 2 296.386 0.978 20 0 CCADLP OCc1ccccc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629583104 369727018 /nfs/dbraw/zinc/72/70/18/369727018.db2.gz QKIJQOUPQCNNGW-OAHLLOKOSA-N 2 2 264.369 0.725 20 0 CCADLP COC[C@@H](O)C[NH2+]CCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000629593119 369732885 /nfs/dbraw/zinc/73/28/85/369732885.db2.gz FGSJESGCCFMZRY-LBPRGKRZSA-N 2 2 282.388 0.339 20 0 CCADLP CCN(Cc1ccoc1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000629599693 369735624 /nfs/dbraw/zinc/73/56/24/369735624.db2.gz KIDSBVPQSPGWRM-GFCCVEGCSA-N 2 2 253.346 0.907 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCNc1cc[nH+]cc1 ZINC000629950312 369849779 /nfs/dbraw/zinc/84/97/79/369849779.db2.gz KDXIEUJFFIKDBT-CHWSQXEVSA-N 2 2 285.351 0.569 20 0 CCADLP C[NH+](C)C1CC[NH+](C[C@@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000630034614 369905595 /nfs/dbraw/zinc/90/55/95/369905595.db2.gz BCPATMUPYFUGKR-LSDHHAIUSA-N 2 2 270.417 0.924 20 0 CCADLP CO[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)[C@@](C)(C[NH3+])C1 ZINC000630374266 370076300 /nfs/dbraw/zinc/07/63/00/370076300.db2.gz HRIGZEYOCHTLHE-ZWNOBZJWSA-N 2 2 266.345 0.225 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1Nc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000630544235 370159884 /nfs/dbraw/zinc/15/98/84/370159884.db2.gz GTDASCHUASCRTI-DTWKUNHWSA-N 2 2 259.317 0.237 20 0 CCADLP C[C@H](O)[C@H]1CCN(c2cc(N[C@@H]3CC[NH2+]C3)nc[nH+]2)C1 ZINC000630547746 370162336 /nfs/dbraw/zinc/16/23/36/370162336.db2.gz VVDMVVYRRJSRRX-SDDRHHMPSA-N 2 2 277.372 0.458 20 0 CCADLP [NH3+]C[C@H](O)CCc1cn(Cc2cn3ccccc3[nH+]2)nn1 ZINC000630601895 370201504 /nfs/dbraw/zinc/20/15/04/370201504.db2.gz OXMJETCDKXSQGI-CYBMUJFWSA-N 2 2 286.339 0.226 20 0 CCADLP CCCCNc1cc(C)[nH+]c(N2CC[NH+](CCO)CC2)n1 ZINC000631033715 370364139 /nfs/dbraw/zinc/36/41/39/370364139.db2.gz GAOCDSSSVILPHZ-UHFFFAOYSA-N 2 2 293.415 0.533 20 0 CCADLP Cc1nc(N2CC[NH+](Cc3cccs3)CC2)nc(N)[nH+]1 ZINC000631042036 370366706 /nfs/dbraw/zinc/36/67/06/370366706.db2.gz ODSUDTPSMNOFAN-UHFFFAOYSA-N 2 2 290.396 0.976 20 0 CCADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000631056169 370370033 /nfs/dbraw/zinc/37/00/33/370370033.db2.gz KQGDAFLDSAIEAS-STQMWFEESA-N 2 2 281.404 0.744 20 0 CCADLP Cc1nc(NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)nc(N)[nH+]1 ZINC000631058356 370370825 /nfs/dbraw/zinc/37/08/25/370370825.db2.gz BSYKTAFNHJVWMO-NXEZZACHSA-N 2 2 264.377 0.547 20 0 CCADLP Cc1nc(NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)nc(N)[nH+]1 ZINC000631058356 370370828 /nfs/dbraw/zinc/37/08/28/370370828.db2.gz BSYKTAFNHJVWMO-NXEZZACHSA-N 2 2 264.377 0.547 20 0 CCADLP Cc1nc(N2CC[C@]3(C2)CCC[N@@H+](C)C3)nc(N)[nH+]1 ZINC000631282177 370454344 /nfs/dbraw/zinc/45/43/44/370454344.db2.gz WORKQDCWYZPDRD-CYBMUJFWSA-N 2 2 262.361 0.515 20 0 CCADLP Cc1nc(N2CC[C@]3(C2)CCC[N@H+](C)C3)nc(N)[nH+]1 ZINC000631282177 370454353 /nfs/dbraw/zinc/45/43/53/370454353.db2.gz WORKQDCWYZPDRD-CYBMUJFWSA-N 2 2 262.361 0.515 20 0 CCADLP Cc1nc(N)nc(N2CC[C@]3(C2)CCC[N@@H+](C)C3)[nH+]1 ZINC000631282177 370454359 /nfs/dbraw/zinc/45/43/59/370454359.db2.gz WORKQDCWYZPDRD-CYBMUJFWSA-N 2 2 262.361 0.515 20 0 CCADLP Cc1nc(N)nc(N2CC[C@]3(C2)CCC[N@H+](C)C3)[nH+]1 ZINC000631282177 370454364 /nfs/dbraw/zinc/45/43/64/370454364.db2.gz WORKQDCWYZPDRD-CYBMUJFWSA-N 2 2 262.361 0.515 20 0 CCADLP COC(=O)[C@@](C)(O)C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000331261119 284223714 /nfs/dbraw/zinc/22/37/14/284223714.db2.gz KXMCYKGXNCXPAT-ZDUSSCGKSA-N 2 2 258.362 0.373 20 0 CCADLP C[C@@H](NS(=O)(=O)CC1([NH+](C)C)CC1)c1[nH+]ccn1C ZINC000632572632 371151363 /nfs/dbraw/zinc/15/13/63/371151363.db2.gz BQJBNJLNLQKKIP-SNVBAGLBSA-N 2 2 286.401 0.495 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC000336807274 213670969 /nfs/dbraw/zinc/67/09/69/213670969.db2.gz IAXKJVVVETUAPP-LBPRGKRZSA-N 2 2 266.389 0.949 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@H]2CCOC(C)(C)C2)[C@@H](C[NH3+])C1 ZINC000633783663 371707516 /nfs/dbraw/zinc/70/75/16/371707516.db2.gz URMLBUHWICEHHO-STQMWFEESA-N 2 2 298.431 0.476 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@H]2CCOC(C)(C)C2)[C@@H](C[NH3+])C1 ZINC000633783663 371707520 /nfs/dbraw/zinc/70/75/20/371707520.db2.gz URMLBUHWICEHHO-STQMWFEESA-N 2 2 298.431 0.476 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCOC(C)(C)C2)[C@@H](C[NH3+])C1 ZINC000633783661 371708275 /nfs/dbraw/zinc/70/82/75/371708275.db2.gz URMLBUHWICEHHO-OLZOCXBDSA-N 2 2 298.431 0.476 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCOC(C)(C)C2)[C@@H](C[NH3+])C1 ZINC000633783661 371708283 /nfs/dbraw/zinc/70/82/83/371708283.db2.gz URMLBUHWICEHHO-OLZOCXBDSA-N 2 2 298.431 0.476 20 0 CCADLP CC(C)[C@H](O)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634194386 371944467 /nfs/dbraw/zinc/94/44/67/371944467.db2.gz QLIRICZNSXEALY-AWEZNQCLSA-N 2 2 292.383 0.789 20 0 CCADLP CC[NH+]1CCC(n2[nH]c3c(c2=O)C[NH2+]CC3)CC1 ZINC000634602309 372093259 /nfs/dbraw/zinc/09/32/59/372093259.db2.gz MUZADJOCGGWXMM-NSHDSACASA-N 2 2 250.346 0.278 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC(Cc2ccco2)C1 ZINC000634651410 372125561 /nfs/dbraw/zinc/12/55/61/372125561.db2.gz OASBUJFNNHBIJH-CQSZACIVSA-N 2 2 282.384 0.693 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC(Cc2ccco2)C1 ZINC000634651410 372125571 /nfs/dbraw/zinc/12/55/71/372125571.db2.gz OASBUJFNNHBIJH-CQSZACIVSA-N 2 2 282.384 0.693 20 0 CCADLP CCc1cc(N2CC[N@H+](C)C[C@@H]2CO)nc(C)[nH+]1 ZINC000634802071 372244392 /nfs/dbraw/zinc/24/43/92/372244392.db2.gz VUCLJSNSMAXECX-GFCCVEGCSA-N 2 2 250.346 0.460 20 0 CCADLP CCc1cc(N2CC[N@@H+](C)C[C@@H]2CO)nc(C)[nH+]1 ZINC000634802071 372244396 /nfs/dbraw/zinc/24/43/96/372244396.db2.gz VUCLJSNSMAXECX-GFCCVEGCSA-N 2 2 250.346 0.460 20 0 CCADLP C[C@@H]1C[C@@H](Nc2[nH+]cnc(-n3cccn3)c2N)CC[NH2+]1 ZINC000634808036 372246972 /nfs/dbraw/zinc/24/69/72/372246972.db2.gz HYZMQLUKVXPHOA-ZJUUUORDSA-N 2 2 273.344 0.797 20 0 CCADLP C[C@@H](O)[C@H]1CCN(c2cc(N[C@@H]3[C@H]4C[NH2+]C[C@H]43)[nH+]cn2)C1 ZINC000634809985 372253518 /nfs/dbraw/zinc/25/35/18/372253518.db2.gz IIYVINQLIPKFAF-TVEHIPJCSA-N 2 2 289.383 0.313 20 0 CCADLP C[C@@H](O)[C@H]1CCN(c2cc(N[C@@H]3[C@H]4C[NH2+]C[C@H]43)nc[nH+]2)C1 ZINC000634809985 372253525 /nfs/dbraw/zinc/25/35/25/372253525.db2.gz IIYVINQLIPKFAF-TVEHIPJCSA-N 2 2 289.383 0.313 20 0 CCADLP c1nc(N2CCC[C@H]3C[NH2+]C[C@H]32)c2c([nH+]1)NCCO2 ZINC000634810961 372254518 /nfs/dbraw/zinc/25/45/18/372254518.db2.gz OYCKEPNALAGJKW-VHSXEESVSA-N 2 2 261.329 0.469 20 0 CCADLP Cn1ncc2c1nc[nH+]c2N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000634813084 372256301 /nfs/dbraw/zinc/25/63/01/372256301.db2.gz YTSFLVHIDQNIPB-ZYHUDNBSSA-N 2 2 272.356 0.942 20 0 CCADLP CC[C@H](C)NC(=O)C[NH+]1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634991716 372325998 /nfs/dbraw/zinc/32/59/98/372325998.db2.gz PEUPEJCMEDYDOQ-HLIUYOAVSA-N 2 2 294.443 0.271 20 0 CCADLP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000635003251 372340072 /nfs/dbraw/zinc/34/00/72/372340072.db2.gz BCXYRYAWOKGQRL-NMFUWQPSSA-N 3 2 267.417 0.861 20 0 CCADLP C[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)[C@H]1CCC[NH2+]1 ZINC000635022987 372351326 /nfs/dbraw/zinc/35/13/26/372351326.db2.gz QRHNSIILDBZXTA-BNOWGMLFSA-N 2 2 281.400 0.496 20 0 CCADLP C[NH+](C)CC1(C(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000635109641 372375784 /nfs/dbraw/zinc/37/57/84/372375784.db2.gz IHLHJXASTNWBHX-UHFFFAOYSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@H](C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000635166410 372401295 /nfs/dbraw/zinc/40/12/95/372401295.db2.gz UFAAEFGGFRCBOI-FRRDWIJNSA-N 2 2 285.432 0.941 20 0 CCADLP C[C@H](C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000635166410 372401300 /nfs/dbraw/zinc/40/13/00/372401300.db2.gz UFAAEFGGFRCBOI-FRRDWIJNSA-N 2 2 285.432 0.941 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000635500217 372562566 /nfs/dbraw/zinc/56/25/66/372562566.db2.gz DIUSWHBHBZKVST-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC000635500217 372562572 /nfs/dbraw/zinc/56/25/72/372562572.db2.gz DIUSWHBHBZKVST-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635500217 372562584 /nfs/dbraw/zinc/56/25/84/372562584.db2.gz DIUSWHBHBZKVST-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635500217 372562592 /nfs/dbraw/zinc/56/25/92/372562592.db2.gz DIUSWHBHBZKVST-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC[NH+]1C1CCCC1 ZINC000635500619 372563910 /nfs/dbraw/zinc/56/39/10/372563910.db2.gz HKPFWTJUAYNPSS-HIFRSBDPSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC[NH+]1C1CCCC1 ZINC000635500619 372563915 /nfs/dbraw/zinc/56/39/15/372563915.db2.gz HKPFWTJUAYNPSS-HIFRSBDPSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635500619 372563924 /nfs/dbraw/zinc/56/39/24/372563924.db2.gz HKPFWTJUAYNPSS-HIFRSBDPSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635500619 372563928 /nfs/dbraw/zinc/56/39/28/372563928.db2.gz HKPFWTJUAYNPSS-HIFRSBDPSA-N 2 2 295.427 0.840 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@H]2CC[N@H+](CCOC)C2)[nH+]1 ZINC000635540362 372606460 /nfs/dbraw/zinc/60/64/60/372606460.db2.gz YJWUUOPDZGJGRA-LBPRGKRZSA-N 2 2 280.372 0.352 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@H]2CC[N@@H+](CCOC)C2)[nH+]1 ZINC000635540362 372606469 /nfs/dbraw/zinc/60/64/69/372606469.db2.gz YJWUUOPDZGJGRA-LBPRGKRZSA-N 2 2 280.372 0.352 20 0 CCADLP CCc1c[nH]c(CC(=O)NCCC[NH+]2CCC(O)CC2)[nH+]1 ZINC000635580856 372654596 /nfs/dbraw/zinc/65/45/96/372654596.db2.gz MYTKEAKMNILURF-UHFFFAOYSA-N 2 2 294.399 0.478 20 0 CCADLP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635665145 372739422 /nfs/dbraw/zinc/73/94/22/372739422.db2.gz QVCBFUFOPAOZRX-JHJVBQTASA-N 2 2 294.399 0.986 20 0 CCADLP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635665145 372739432 /nfs/dbraw/zinc/73/94/32/372739432.db2.gz QVCBFUFOPAOZRX-JHJVBQTASA-N 2 2 294.399 0.986 20 0 CCADLP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000333128035 205053732 /nfs/dbraw/zinc/05/37/32/205053732.db2.gz BJEFVNVYNFTQJA-OLZOCXBDSA-N 2 2 298.431 0.537 20 0 CCADLP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000333128035 205053734 /nfs/dbraw/zinc/05/37/34/205053734.db2.gz BJEFVNVYNFTQJA-OLZOCXBDSA-N 2 2 298.431 0.537 20 0 CCADLP O=C(NC1CC1)[C@@H](O)C1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000333137296 205060651 /nfs/dbraw/zinc/06/06/51/205060651.db2.gz JPZLBCZJMJHDKJ-AWEZNQCLSA-N 2 2 292.383 0.235 20 0 CCADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000245432795 284347311 /nfs/dbraw/zinc/34/73/11/284347311.db2.gz BLZQWVMNUMENDF-KFWWJZLASA-N 2 2 297.443 0.896 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000245432795 284347315 /nfs/dbraw/zinc/34/73/15/284347315.db2.gz BLZQWVMNUMENDF-KFWWJZLASA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000245432795 284347317 /nfs/dbraw/zinc/34/73/17/284347317.db2.gz BLZQWVMNUMENDF-KFWWJZLASA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000245432795 284347319 /nfs/dbraw/zinc/34/73/19/284347319.db2.gz BLZQWVMNUMENDF-KFWWJZLASA-N 2 2 297.443 0.896 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000635713288 372802808 /nfs/dbraw/zinc/80/28/08/372802808.db2.gz BBJLQYNRMISWDD-CHWSQXEVSA-N 2 2 294.399 0.842 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000635713288 372802813 /nfs/dbraw/zinc/80/28/13/372802813.db2.gz BBJLQYNRMISWDD-CHWSQXEVSA-N 2 2 294.399 0.842 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1CN1CCOCC1 ZINC000514737719 284349330 /nfs/dbraw/zinc/34/93/30/284349330.db2.gz QVMPVLXFXOVOFL-HOTGVXAUSA-N 2 2 299.459 0.486 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1CN1CCOCC1 ZINC000514737719 284349333 /nfs/dbraw/zinc/34/93/33/284349333.db2.gz QVMPVLXFXOVOFL-HOTGVXAUSA-N 2 2 299.459 0.486 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000514737719 284349335 /nfs/dbraw/zinc/34/93/35/284349335.db2.gz QVMPVLXFXOVOFL-HOTGVXAUSA-N 2 2 299.459 0.486 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000514737719 284349338 /nfs/dbraw/zinc/34/93/38/284349338.db2.gz QVMPVLXFXOVOFL-HOTGVXAUSA-N 2 2 299.459 0.486 20 0 CCADLP CC[N@H+](C)C[C@H](O)CN1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000514737719 284349342 /nfs/dbraw/zinc/34/93/42/284349342.db2.gz QVMPVLXFXOVOFL-HOTGVXAUSA-N 2 2 299.459 0.486 20 0 CCADLP CC[N@@H+](C)C[C@H](O)CN1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000514737719 284349344 /nfs/dbraw/zinc/34/93/44/284349344.db2.gz QVMPVLXFXOVOFL-HOTGVXAUSA-N 2 2 299.459 0.486 20 0 CCADLP C[C@@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000333246057 205149479 /nfs/dbraw/zinc/14/94/79/205149479.db2.gz FSZNXIMWUXCLGI-WOPDTQHZSA-N 2 2 275.418 0.141 20 0 CCADLP C[C@H](C(=O)NC(C)(C)CCN1CC[NH+](C)CC1)[NH+](C)C ZINC000635810933 372941751 /nfs/dbraw/zinc/94/17/51/372941751.db2.gz FUTXWVXTSUWISY-CYBMUJFWSA-N 2 2 284.448 0.469 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)[nH+]1 ZINC000635929586 373118942 /nfs/dbraw/zinc/11/89/42/373118942.db2.gz WTYHLCLGLOEYBU-OLZOCXBDSA-N 2 2 292.383 0.182 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)[nH+]1 ZINC000635929586 373118943 /nfs/dbraw/zinc/11/89/43/373118943.db2.gz WTYHLCLGLOEYBU-OLZOCXBDSA-N 2 2 292.383 0.182 20 0 CCADLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000636073271 373329145 /nfs/dbraw/zinc/32/91/45/373329145.db2.gz JUFGQFGMVDIWDO-NWDGAFQWSA-N 2 2 262.357 0.656 20 0 CCADLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000636073271 373329151 /nfs/dbraw/zinc/32/91/51/373329151.db2.gz JUFGQFGMVDIWDO-NWDGAFQWSA-N 2 2 262.357 0.656 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC000636172575 373429047 /nfs/dbraw/zinc/42/90/47/373429047.db2.gz YIVDAJOYIXCYGS-UHFFFAOYSA-N 3 2 284.448 0.328 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC000636172575 373429059 /nfs/dbraw/zinc/42/90/59/373429059.db2.gz YIVDAJOYIXCYGS-UHFFFAOYSA-N 3 2 284.448 0.328 20 0 CCADLP C[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000636624427 373679213 /nfs/dbraw/zinc/67/92/13/373679213.db2.gz UCJRVTJXRDLVBB-WDEREUQCSA-N 2 2 263.345 0.201 20 0 CCADLP C[N@H+]1CCC[C@H](NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000636624427 373679222 /nfs/dbraw/zinc/67/92/22/373679222.db2.gz UCJRVTJXRDLVBB-WDEREUQCSA-N 2 2 263.345 0.201 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000636908158 373814493 /nfs/dbraw/zinc/81/44/93/373814493.db2.gz CBGRLTMIWGYBTL-MELADBBJSA-N 2 2 283.416 0.506 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000636908158 373814514 /nfs/dbraw/zinc/81/45/14/373814514.db2.gz CBGRLTMIWGYBTL-MELADBBJSA-N 2 2 283.416 0.506 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000636908158 373814521 /nfs/dbraw/zinc/81/45/21/373814521.db2.gz CBGRLTMIWGYBTL-MELADBBJSA-N 2 2 283.416 0.506 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000568270979 291578706 /nfs/dbraw/zinc/57/87/06/291578706.db2.gz LLZYDMHMQDSHSV-QWRGUYRKSA-N 2 2 250.346 0.767 20 0 CCADLP C[NH+](C)C1CCC(NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1 ZINC000637234987 374036218 /nfs/dbraw/zinc/03/62/18/374036218.db2.gz RXVJKJLEJKNLRA-OTTFEQOBSA-N 2 2 291.399 0.980 20 0 CCADLP C[NH+]1CCOC[C@H]1CNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000637444364 374168172 /nfs/dbraw/zinc/16/81/72/374168172.db2.gz QWSVDLHVSLULNN-MCIONIFRSA-N 2 2 296.415 0.053 20 0 CCADLP C[NH+]1CCOC[C@H]1CNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000637444364 374168175 /nfs/dbraw/zinc/16/81/75/374168175.db2.gz QWSVDLHVSLULNN-MCIONIFRSA-N 2 2 296.415 0.053 20 0 CCADLP C[NH+]1CC[C@@H]2CCN(C(=O)NC[C@@H]3COCC[N@@H+]3C)[C@H]2C1 ZINC000637444364 374168178 /nfs/dbraw/zinc/16/81/78/374168178.db2.gz QWSVDLHVSLULNN-MCIONIFRSA-N 2 2 296.415 0.053 20 0 CCADLP C[NH+]1CC[C@@H]2CCN(C(=O)NC[C@@H]3COCC[N@H+]3C)[C@H]2C1 ZINC000637444364 374168180 /nfs/dbraw/zinc/16/81/80/374168180.db2.gz QWSVDLHVSLULNN-MCIONIFRSA-N 2 2 296.415 0.053 20 0 CCADLP CN(Cc1ccccc1)C[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000637797885 374322677 /nfs/dbraw/zinc/32/26/77/374322677.db2.gz RTFUGDCCIPMOIO-HUUCEWRRSA-N 2 2 290.411 0.395 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC(C)(C)C ZINC000656542818 412821633 /nfs/dbraw/zinc/82/16/33/412821633.db2.gz LSGKGSYTWGKGAV-UHFFFAOYSA-N 2 2 258.410 0.968 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC(C)(C)C ZINC000656542818 412821638 /nfs/dbraw/zinc/82/16/38/412821638.db2.gz LSGKGSYTWGKGAV-UHFFFAOYSA-N 2 2 258.410 0.968 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000637847865 374402791 /nfs/dbraw/zinc/40/27/91/374402791.db2.gz PQLVKPYRUMEESZ-BXKDBHETSA-N 2 2 250.346 0.846 20 0 CCADLP C[C@H]1CN(C(=O)[C@H]([NH3+])CN(C)Cc2ccccc2)CC[NH2+]1 ZINC000637839189 374386682 /nfs/dbraw/zinc/38/66/82/374386682.db2.gz ANWZXUNVIHFAHR-DZGCQCFKSA-N 2 2 290.411 0.266 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCCn1cc[nH+]c1 ZINC000656543547 412821522 /nfs/dbraw/zinc/82/15/22/412821522.db2.gz SLHBYUPRJQODOE-OLZOCXBDSA-N 2 2 295.387 0.292 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCCn1cc[nH+]c1 ZINC000656543547 412821527 /nfs/dbraw/zinc/82/15/27/412821527.db2.gz SLHBYUPRJQODOE-OLZOCXBDSA-N 2 2 295.387 0.292 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@H](C[NH3+])C1CC1)CC2 ZINC000637855615 374414067 /nfs/dbraw/zinc/41/40/67/374414067.db2.gz WMAKIWSMILUMMW-RYUDHWBXSA-N 2 2 262.357 0.607 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ccccn1 ZINC000656544715 412822259 /nfs/dbraw/zinc/82/22/59/412822259.db2.gz UGDRNYZKEXMTPV-UHFFFAOYSA-N 2 2 293.415 0.764 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ccccn1 ZINC000656544715 412822261 /nfs/dbraw/zinc/82/22/61/412822261.db2.gz UGDRNYZKEXMTPV-UHFFFAOYSA-N 2 2 293.415 0.764 20 0 CCADLP Nc1nc(N)c(CN2CCC[C@H]2C[NH+]2CCCCC2)c[nH+]1 ZINC000637959574 374507896 /nfs/dbraw/zinc/50/78/96/374507896.db2.gz GXGDNQXTMUROOD-ZDUSSCGKSA-N 2 2 290.415 0.752 20 0 CCADLP CC(C)(O)C[NH+]1CCN(CC(C)(C)[NH+]2CCOCC2)CC1 ZINC000638016097 374559745 /nfs/dbraw/zinc/55/97/45/374559745.db2.gz XMYFUHVZIRTPOL-UHFFFAOYSA-N 2 2 299.459 0.486 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000638077342 374632493 /nfs/dbraw/zinc/63/24/93/374632493.db2.gz RNUQAJCCSOZLNQ-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@]1(C(=O)NCC[NH+]2Cc3ccccc3C2)C[NH2+]CCO1 ZINC000638080734 374639938 /nfs/dbraw/zinc/63/99/38/374639938.db2.gz XSRVZTCWHLRARZ-MRXNPFEDSA-N 2 2 289.379 0.497 20 0 CCADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000638069286 374616792 /nfs/dbraw/zinc/61/67/92/374616792.db2.gz OSPAKAOAAKHHHP-IUODEOHRSA-N 2 2 292.383 0.531 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)N=c1ccn(CC[NH+](C)C)[nH]1 ZINC000638088213 374648959 /nfs/dbraw/zinc/64/89/59/374648959.db2.gz DERRLOYJFCLYRP-UHFFFAOYSA-N 2 2 291.355 0.479 20 0 CCADLP CC(C)CC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000638097242 374658702 /nfs/dbraw/zinc/65/87/02/374658702.db2.gz CMMXFNZHHBWIAY-ZDUSSCGKSA-N 2 2 285.432 0.977 20 0 CCADLP CC(C)CC[C@H]([NH3+])C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000638097242 374658712 /nfs/dbraw/zinc/65/87/12/374658712.db2.gz CMMXFNZHHBWIAY-ZDUSSCGKSA-N 2 2 285.432 0.977 20 0 CCADLP CC[N@@H+]1C[C@H](C)N(Cc2c[nH+]c(N)nc2N)C[C@@H]1C ZINC000638100777 374666302 /nfs/dbraw/zinc/66/63/02/374666302.db2.gz MJRJWEAWSPRDFX-UWVGGRQHSA-N 2 2 264.377 0.216 20 0 CCADLP CC[N@H+]1C[C@H](C)N(Cc2c[nH+]c(N)nc2N)C[C@@H]1C ZINC000638100777 374666306 /nfs/dbraw/zinc/66/63/06/374666306.db2.gz MJRJWEAWSPRDFX-UWVGGRQHSA-N 2 2 264.377 0.216 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3=CC[C@H]([NH3+])C3)C2)CC1 ZINC000638115123 374682683 /nfs/dbraw/zinc/68/26/83/374682683.db2.gz AFDIGRISVWLALJ-UONOGXRCSA-N 3 2 292.427 0.319 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3=CC[C@H]([NH3+])C3)C2)CC1 ZINC000638115123 374682687 /nfs/dbraw/zinc/68/26/87/374682687.db2.gz AFDIGRISVWLALJ-UONOGXRCSA-N 3 2 292.427 0.319 20 0 CCADLP O=C(NCC1C[NH2+]C1)c1cc(-n2cc[nH+]c2)ccc1O ZINC000638155813 374728506 /nfs/dbraw/zinc/72/85/06/374728506.db2.gz ZYTZWRWTYPAUHR-UHFFFAOYSA-N 2 2 272.308 0.527 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000638219068 374806839 /nfs/dbraw/zinc/80/68/39/374806839.db2.gz WHVDWBHHLMXEKL-NSHDSACASA-N 2 2 250.346 0.848 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[NH2+][C@H](C)[C@H]1C)CC2 ZINC000638207628 374794094 /nfs/dbraw/zinc/79/40/94/374794094.db2.gz QJFFERBYKZQRDT-JHJVBQTASA-N 2 2 276.384 0.963 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000638253373 374848996 /nfs/dbraw/zinc/84/89/96/374848996.db2.gz MNTMBLAGVVIMSO-GFCCVEGCSA-N 2 2 254.309 0.352 20 0 CCADLP CC(C)[NH+]1CCC([NH2+]Cc2cnc(N)nc2N)CC1 ZINC000638320640 374921756 /nfs/dbraw/zinc/92/17/56/374921756.db2.gz PUBQZSDLJCJGSK-UHFFFAOYSA-N 2 2 264.377 0.264 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CCCO[C@@H](C[NH3+])C2)[nH+]1 ZINC000638341770 374941094 /nfs/dbraw/zinc/94/10/94/374941094.db2.gz BEWPKPBNGFLTGN-NSHDSACASA-N 2 2 266.345 0.091 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638299420 374905526 /nfs/dbraw/zinc/90/55/26/374905526.db2.gz COYGXCSDSDYACX-AWEZNQCLSA-N 2 2 280.372 0.487 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N(C)CC(C)(C)[NH3+])CC2 ZINC000638402510 374999402 /nfs/dbraw/zinc/99/94/02/374999402.db2.gz PJLIREAGUCJXHF-NSHDSACASA-N 2 2 264.373 0.950 20 0 CCADLP CC(C)CC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000638413780 375012764 /nfs/dbraw/zinc/01/27/64/375012764.db2.gz FQJHDSLDMPNSPX-UONOGXRCSA-N 2 2 283.416 0.683 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](OC)[C@@H]1CCOC1 ZINC000638511398 375101840 /nfs/dbraw/zinc/10/18/40/375101840.db2.gz ZYKOYRQJUIGXDY-RBSFLKMASA-N 2 2 286.416 0.738 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](OC)[C@@H]1CCOC1 ZINC000638511398 375101848 /nfs/dbraw/zinc/10/18/48/375101848.db2.gz ZYKOYRQJUIGXDY-RBSFLKMASA-N 2 2 286.416 0.738 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H]1Cc2ccccc2CO1 ZINC000638461803 375066985 /nfs/dbraw/zinc/06/69/85/375066985.db2.gz NSIDTIPCSICEJC-GJZGRUSLSA-N 2 2 291.395 0.523 20 0 CCADLP CC[C@@H]1CCCC[N@@H+]1CCNCc1c[nH+]c(N)nc1N ZINC000638587840 375167224 /nfs/dbraw/zinc/16/72/24/375167224.db2.gz HRMYYDKADLIBED-GFCCVEGCSA-N 2 2 278.404 0.656 20 0 CCADLP CC[C@@H]1CCCC[N@H+]1CCNCc1c[nH+]c(N)nc1N ZINC000638587840 375167232 /nfs/dbraw/zinc/16/72/32/375167232.db2.gz HRMYYDKADLIBED-GFCCVEGCSA-N 2 2 278.404 0.656 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C[NH2+]1 ZINC000638643295 375247996 /nfs/dbraw/zinc/24/79/96/375247996.db2.gz JJQFTJVTTMQUEE-GRYCIOLGSA-N 2 2 262.357 0.702 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000638611670 375191749 /nfs/dbraw/zinc/19/17/49/375191749.db2.gz PKGNQHSCMIOTGI-OUCADQQQSA-N 2 2 269.389 0.341 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000638611670 375191752 /nfs/dbraw/zinc/19/17/52/375191752.db2.gz PKGNQHSCMIOTGI-OUCADQQQSA-N 2 2 269.389 0.341 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000638611274 375192756 /nfs/dbraw/zinc/19/27/56/375192756.db2.gz NNEAKKJKJFJXIW-KBPBESRZSA-N 2 2 277.368 0.176 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000638611274 375192759 /nfs/dbraw/zinc/19/27/59/375192759.db2.gz NNEAKKJKJFJXIW-KBPBESRZSA-N 2 2 277.368 0.176 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000638612068 375193902 /nfs/dbraw/zinc/19/39/02/375193902.db2.gz SFLKBEJMGMCCPV-STQMWFEESA-N 2 2 263.341 0.133 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000638612068 375193907 /nfs/dbraw/zinc/19/39/07/375193907.db2.gz SFLKBEJMGMCCPV-STQMWFEESA-N 2 2 263.341 0.133 20 0 CCADLP CN(CCOCC[NH3+])C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000638673060 375276374 /nfs/dbraw/zinc/27/63/74/375276374.db2.gz NVWFPRZVQYKDMN-CQSZACIVSA-N 2 2 299.415 0.064 20 0 CCADLP CN(CCOCC[NH3+])C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000638673060 375276382 /nfs/dbraw/zinc/27/63/82/375276382.db2.gz NVWFPRZVQYKDMN-CQSZACIVSA-N 2 2 299.415 0.064 20 0 CCADLP C[C@@H](C[NH2+][C@@H](C)Cc1cnccn1)C[NH+]1CCOCC1 ZINC000638674741 375279032 /nfs/dbraw/zinc/27/90/32/375279032.db2.gz MNEHWHSAKXXIDX-KBPBESRZSA-N 2 2 278.400 0.966 20 0 CCADLP C[C@H](Cc1cnccn1)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000638674743 375279258 /nfs/dbraw/zinc/27/92/58/375279258.db2.gz MNEHWHSAKXXIDX-UONOGXRCSA-N 2 2 278.400 0.966 20 0 CCADLP CC(C)C[C@H](C(=O)N(C)CCOCC[NH3+])n1cc[nH+]c1 ZINC000638674931 375279469 /nfs/dbraw/zinc/27/94/69/375279469.db2.gz ZVCPIUTUPXOSHI-CYBMUJFWSA-N 2 2 282.388 0.904 20 0 CCADLP CCn1nc(C)cc1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000638702813 375307672 /nfs/dbraw/zinc/30/76/72/375307672.db2.gz SKHYGVOZNWMIJK-SNVBAGLBSA-N 2 2 253.350 0.429 20 0 CCADLP Cc1cc(O)cc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000638756105 375337634 /nfs/dbraw/zinc/33/76/34/375337634.db2.gz FQFUJOQDOZBRFG-LBPRGKRZSA-N 2 2 251.330 0.918 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCNC(=O)C2)C[N@@H+]1C1CC1 ZINC000638758935 375338787 /nfs/dbraw/zinc/33/87/87/375338787.db2.gz GIILDWFQBQJXIC-GRYCIOLGSA-N 2 2 251.374 0.870 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCNC(=O)C2)C[N@H+]1C1CC1 ZINC000638758935 375338789 /nfs/dbraw/zinc/33/87/89/375338789.db2.gz GIILDWFQBQJXIC-GRYCIOLGSA-N 2 2 251.374 0.870 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000638927002 375463099 /nfs/dbraw/zinc/46/30/99/375463099.db2.gz QDFYFZIXGJLVJM-RWMBFGLXSA-N 2 2 274.368 0.717 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1C[C@H](C)[C@@H](C[NH3+])C1)CC2 ZINC000638900274 375438649 /nfs/dbraw/zinc/43/86/49/375438649.db2.gz GUZPVNFZLVFSNV-UHTWSYAYSA-N 2 2 276.384 0.807 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1C[C@@H]3C[C@H]1C[NH2+]3)CC2 ZINC000638917167 375454393 /nfs/dbraw/zinc/45/43/93/375454393.db2.gz ATETWKLFQACMDY-WOPDTQHZSA-N 2 2 260.341 0.327 20 0 CCADLP Cc1nc(CC[NH2+]C2CC[NH+](CC(C)(C)O)CC2)n[nH]1 ZINC000638970768 375489403 /nfs/dbraw/zinc/48/94/03/375489403.db2.gz VGJBXTYXFSVWAK-UHFFFAOYSA-N 2 2 281.404 0.481 20 0 CCADLP Cc1nnc(CC[NH2+]C2CC[NH+](CC(C)(C)O)CC2)[nH]1 ZINC000638970768 375489407 /nfs/dbraw/zinc/48/94/07/375489407.db2.gz VGJBXTYXFSVWAK-UHFFFAOYSA-N 2 2 281.404 0.481 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC1(C[NH3+])CCCCC1 ZINC000638996945 375507336 /nfs/dbraw/zinc/50/73/36/375507336.db2.gz RGOKHCYKXSCWSI-UHFFFAOYSA-N 2 2 298.431 0.221 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC1(C[NH3+])CCCCC1 ZINC000638996945 375507340 /nfs/dbraw/zinc/50/73/40/375507340.db2.gz RGOKHCYKXSCWSI-UHFFFAOYSA-N 2 2 298.431 0.221 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000638997186 375507441 /nfs/dbraw/zinc/50/74/41/375507441.db2.gz ANTALGDRDFXQJY-IHRRRGAJSA-N 2 2 283.416 0.729 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639002942 375513133 /nfs/dbraw/zinc/51/31/33/375513133.db2.gz CAPHFAUBAVJZCE-CQSZACIVSA-N 2 2 291.399 0.161 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC000639022344 375527644 /nfs/dbraw/zinc/52/76/44/375527644.db2.gz GUMHHOGXKURLRL-GXTWGEPZSA-N 3 2 290.411 0.430 20 0 CCADLP C[C@@H]1CCN(c2cc(N3CCOCC3)[nH+]cn2)[C@H](C[NH3+])C1 ZINC000656611908 412836642 /nfs/dbraw/zinc/83/66/42/412836642.db2.gz ONCLQUACXPMWSH-OLZOCXBDSA-N 2 2 291.399 0.877 20 0 CCADLP C[C@@H]1C[C@H](NCC[NH+]2CCCOCC2)CC[N@@H+]1C ZINC000639174565 375619362 /nfs/dbraw/zinc/61/93/62/375619362.db2.gz CFPXKWQOWQGTMV-ZIAGYGMSSA-N 2 2 255.406 0.781 20 0 CCADLP C[C@@H]1C[C@H](NCC[NH+]2CCCOCC2)CC[N@H+]1C ZINC000639174565 375619367 /nfs/dbraw/zinc/61/93/67/375619367.db2.gz CFPXKWQOWQGTMV-ZIAGYGMSSA-N 2 2 255.406 0.781 20 0 CCADLP C[C@@H]1C[C@H](NCC[N@@H+]2CCCOCC2)CC[NH+]1C ZINC000639174565 375619375 /nfs/dbraw/zinc/61/93/75/375619375.db2.gz CFPXKWQOWQGTMV-ZIAGYGMSSA-N 2 2 255.406 0.781 20 0 CCADLP C[C@@H]1C[C@H](NCC[N@H+]2CCCOCC2)CC[NH+]1C ZINC000639174565 375619380 /nfs/dbraw/zinc/61/93/80/375619380.db2.gz CFPXKWQOWQGTMV-ZIAGYGMSSA-N 2 2 255.406 0.781 20 0 CCADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cnc(N)nc1N ZINC000639179393 375620478 /nfs/dbraw/zinc/62/04/78/375620478.db2.gz SPTACUMTRHQMOG-GXSJLCMTSA-N 2 2 264.377 0.074 20 0 CCADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cnc(N)nc1N ZINC000639179393 375620486 /nfs/dbraw/zinc/62/04/86/375620486.db2.gz SPTACUMTRHQMOG-GXSJLCMTSA-N 2 2 264.377 0.074 20 0 CCADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cnc(N)nc1N ZINC000639179393 375620495 /nfs/dbraw/zinc/62/04/95/375620495.db2.gz SPTACUMTRHQMOG-GXSJLCMTSA-N 2 2 264.377 0.074 20 0 CCADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cnc(N)nc1N ZINC000639179393 375620502 /nfs/dbraw/zinc/62/05/02/375620502.db2.gz SPTACUMTRHQMOG-GXSJLCMTSA-N 2 2 264.377 0.074 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCC[C@@H]1CCC[NH2+]1 ZINC000576639521 335229440 /nfs/dbraw/zinc/22/94/40/335229440.db2.gz BRFBAWZEFVHJIN-LBPRGKRZSA-N 2 2 250.346 0.922 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000574612126 335033829 /nfs/dbraw/zinc/03/38/29/335033829.db2.gz JUYPNTDISDDGAF-SNVBAGLBSA-N 2 2 268.386 0.474 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000574612126 335033831 /nfs/dbraw/zinc/03/38/31/335033831.db2.gz JUYPNTDISDDGAF-SNVBAGLBSA-N 2 2 268.386 0.474 20 0 CCADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]CCC[C@@H]1CCO1 ZINC000639217240 375638380 /nfs/dbraw/zinc/63/83/80/375638380.db2.gz CMJGKGCKPWBOBI-ZIAGYGMSSA-N 2 2 256.390 0.992 20 0 CCADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]CCC[C@@H]1CCO1 ZINC000639217240 375638384 /nfs/dbraw/zinc/63/83/84/375638384.db2.gz CMJGKGCKPWBOBI-ZIAGYGMSSA-N 2 2 256.390 0.992 20 0 CCADLP CCC(C)(C)[NH+]1CCN(Cc2c[nH+]c(N)nc2N)CC1 ZINC000639299898 375711067 /nfs/dbraw/zinc/71/10/67/375711067.db2.gz YOGRXUAYLLCLIQ-UHFFFAOYSA-N 2 2 278.404 0.608 20 0 CCADLP C[N@@H+]1CCN(Cc2cccc3[nH+]ccn32)[C@@H](CO)C1 ZINC000639336845 375738879 /nfs/dbraw/zinc/73/88/79/375738879.db2.gz MOSDYPVBSYGYFF-CYBMUJFWSA-N 2 2 260.341 0.443 20 0 CCADLP C[N@H+]1CCN(Cc2cccc3[nH+]ccn32)[C@@H](CO)C1 ZINC000639336845 375738883 /nfs/dbraw/zinc/73/88/83/375738883.db2.gz MOSDYPVBSYGYFF-CYBMUJFWSA-N 2 2 260.341 0.443 20 0 CCADLP C[C@]12C[N@H+](Cc3cccc4[nH+]ccn43)C[C@@]1(C)C(=O)NC2=O ZINC000639367628 375763877 /nfs/dbraw/zinc/76/38/77/375763877.db2.gz KYSVLUYEPOBKCQ-IYBDPMFKSA-N 2 2 298.346 0.819 20 0 CCADLP C[C@]12C[N@@H+](Cc3cccc4[nH+]ccn43)C[C@@]1(C)C(=O)NC2=O ZINC000639367628 375763880 /nfs/dbraw/zinc/76/38/80/375763880.db2.gz KYSVLUYEPOBKCQ-IYBDPMFKSA-N 2 2 298.346 0.819 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC000639490564 375806418 /nfs/dbraw/zinc/80/64/18/375806418.db2.gz SHCXKCJZDBISDV-AWEZNQCLSA-N 2 2 293.415 0.544 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC000639490564 375806424 /nfs/dbraw/zinc/80/64/24/375806424.db2.gz SHCXKCJZDBISDV-AWEZNQCLSA-N 2 2 293.415 0.544 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000639531507 375825271 /nfs/dbraw/zinc/82/52/71/375825271.db2.gz ICUDJUZURWDGDC-ZDUSSCGKSA-N 2 2 283.397 0.614 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000639531507 375825273 /nfs/dbraw/zinc/82/52/73/375825273.db2.gz ICUDJUZURWDGDC-ZDUSSCGKSA-N 2 2 283.397 0.614 20 0 CCADLP C[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)[C@H](C(N)=O)C1 ZINC000639599878 375851913 /nfs/dbraw/zinc/85/19/13/375851913.db2.gz WFMQNZLWQNZLST-PWSUYJOCSA-N 2 2 250.346 0.548 20 0 CCADLP C[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)[C@H](C(N)=O)C1 ZINC000639599878 375851916 /nfs/dbraw/zinc/85/19/16/375851916.db2.gz WFMQNZLWQNZLST-PWSUYJOCSA-N 2 2 250.346 0.548 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000639612162 375860556 /nfs/dbraw/zinc/86/05/56/375860556.db2.gz LWFTXRVHHWAKMY-CYBMUJFWSA-N 2 2 285.413 0.862 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000639612162 375860562 /nfs/dbraw/zinc/86/05/62/375860562.db2.gz LWFTXRVHHWAKMY-CYBMUJFWSA-N 2 2 285.413 0.862 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000656698733 412842833 /nfs/dbraw/zinc/84/28/33/412842833.db2.gz CITDBUVOUSXWTO-TZMCWYRMSA-N 2 2 256.390 0.656 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000656698733 412842835 /nfs/dbraw/zinc/84/28/35/412842835.db2.gz CITDBUVOUSXWTO-TZMCWYRMSA-N 2 2 256.390 0.656 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000639651485 375889404 /nfs/dbraw/zinc/88/94/04/375889404.db2.gz YLNQYIMGQQOJHO-SNVBAGLBSA-N 2 2 259.300 0.912 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000639651485 375889414 /nfs/dbraw/zinc/88/94/14/375889414.db2.gz YLNQYIMGQQOJHO-SNVBAGLBSA-N 2 2 259.300 0.912 20 0 CCADLP C[N@H+]1CCN(CC[NH+]2CCOCC2)C[C@H]1C(C)(C)C ZINC000639746924 375975424 /nfs/dbraw/zinc/97/54/24/375975424.db2.gz BYPNQUXJARAUKX-AWEZNQCLSA-N 2 2 269.433 0.981 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000639765891 375994646 /nfs/dbraw/zinc/99/46/46/375994646.db2.gz JFSFOBTVPLNOGE-CABCVRRESA-N 3 2 269.433 0.859 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000639765891 375994655 /nfs/dbraw/zinc/99/46/55/375994655.db2.gz JFSFOBTVPLNOGE-CABCVRRESA-N 3 2 269.433 0.859 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000639765891 375994663 /nfs/dbraw/zinc/99/46/63/375994663.db2.gz JFSFOBTVPLNOGE-CABCVRRESA-N 3 2 269.433 0.859 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000639765891 375994672 /nfs/dbraw/zinc/99/46/72/375994672.db2.gz JFSFOBTVPLNOGE-CABCVRRESA-N 3 2 269.433 0.859 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766450 375995619 /nfs/dbraw/zinc/99/56/19/375995619.db2.gz OGXWKNYDHUJSGF-AWEZNQCLSA-N 3 2 266.389 0.580 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766450 375995629 /nfs/dbraw/zinc/99/56/29/375995629.db2.gz OGXWKNYDHUJSGF-AWEZNQCLSA-N 3 2 266.389 0.580 20 0 CCADLP Cc1[nH+]ccn1CCN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766450 375995633 /nfs/dbraw/zinc/99/56/33/375995633.db2.gz OGXWKNYDHUJSGF-AWEZNQCLSA-N 2 2 266.389 0.580 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1c1cn[nH]c1 ZINC000639778284 376006492 /nfs/dbraw/zinc/00/64/92/376006492.db2.gz RFOKOICTSIDQQP-KBPBESRZSA-N 2 2 282.388 0.486 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1c1cn[nH]c1 ZINC000639778284 376006497 /nfs/dbraw/zinc/00/64/97/376006497.db2.gz RFOKOICTSIDQQP-KBPBESRZSA-N 2 2 282.388 0.486 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639778284 376006510 /nfs/dbraw/zinc/00/65/10/376006510.db2.gz RFOKOICTSIDQQP-KBPBESRZSA-N 2 2 282.388 0.486 20 0 CCADLP CC(C)NC(=O)NCC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762420 375987188 /nfs/dbraw/zinc/98/71/88/375987188.db2.gz LAXCDRORYVDJGZ-AWEZNQCLSA-N 2 2 286.420 0.083 20 0 CCADLP CC(C)NC(=O)NCC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762420 375987195 /nfs/dbraw/zinc/98/71/95/375987195.db2.gz LAXCDRORYVDJGZ-AWEZNQCLSA-N 2 2 286.420 0.083 20 0 CCADLP C[C@H](c1cnccn1)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761695 375988366 /nfs/dbraw/zinc/98/83/66/375988366.db2.gz CZMOJRIHOBBBBB-OCCSQVGLSA-N 2 2 264.373 0.926 20 0 CCADLP C[C@H](c1cnccn1)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761695 375988375 /nfs/dbraw/zinc/98/83/75/375988375.db2.gz CZMOJRIHOBBBBB-OCCSQVGLSA-N 2 2 264.373 0.926 20 0 CCADLP COCC[NH2+]CC[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC000656785454 412850850 /nfs/dbraw/zinc/85/08/50/412850850.db2.gz HVQAHJPLNFCVRB-UHFFFAOYSA-N 3 2 263.385 0.658 20 0 CCADLP CC1([NH+]2CCCC2)CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000639980707 376167249 /nfs/dbraw/zinc/16/72/49/376167249.db2.gz AMPSSUNQUQWBRM-UHFFFAOYSA-N 2 2 294.399 0.489 20 0 CCADLP CO[C@H]1C[N@H+](CCCc2c[nH+]cn2C)[C@](C)(CO)C1 ZINC000640003308 376181879 /nfs/dbraw/zinc/18/18/79/376181879.db2.gz HYJGVHXIHSXZCE-KGLIPLIRSA-N 2 2 267.373 0.824 20 0 CCADLP CO[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)[C@](C)(CO)C1 ZINC000640003308 376181881 /nfs/dbraw/zinc/18/18/81/376181881.db2.gz HYJGVHXIHSXZCE-KGLIPLIRSA-N 2 2 267.373 0.824 20 0 CCADLP CO[C@H]1C[N@H+](CCc2c[nH+]cn2C)[C@](C)(CO)C1 ZINC000640007317 376185785 /nfs/dbraw/zinc/18/57/85/376185785.db2.gz ZWMZBKVCPBNHJL-OLZOCXBDSA-N 2 2 253.346 0.434 20 0 CCADLP CO[C@H]1C[N@@H+](CCc2c[nH+]cn2C)[C@](C)(CO)C1 ZINC000640007317 376185790 /nfs/dbraw/zinc/18/57/90/376185790.db2.gz ZWMZBKVCPBNHJL-OLZOCXBDSA-N 2 2 253.346 0.434 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051289 376215847 /nfs/dbraw/zinc/21/58/47/376215847.db2.gz MPURPEXWBKIPRN-UHFFFAOYSA-N 2 2 293.415 0.059 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051289 376215856 /nfs/dbraw/zinc/21/58/56/376215856.db2.gz MPURPEXWBKIPRN-UHFFFAOYSA-N 2 2 293.415 0.059 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+](C)CC(=O)N1CCN(C)CC1 ZINC000640051289 376215865 /nfs/dbraw/zinc/21/58/65/376215865.db2.gz MPURPEXWBKIPRN-UHFFFAOYSA-N 2 2 293.415 0.059 20 0 CCADLP C[C@H](CC(=O)N[C@@H](CO)C[NH+]1CCCC1)n1cc[nH+]c1 ZINC000640319593 376306903 /nfs/dbraw/zinc/30/69/03/376306903.db2.gz AVGILYJXTXWTFJ-CHWSQXEVSA-N 2 2 280.372 0.407 20 0 CCADLP Cc1cc[nH+]cc1Cn1cc(CCN2CC[NH2+]CC2)nn1 ZINC000641070447 376739999 /nfs/dbraw/zinc/73/99/99/376739999.db2.gz FKYLATCFIUPUHE-UHFFFAOYSA-N 2 2 286.383 0.478 20 0 CCADLP COCC[N@H+](C)Cc1cn(Cc2ccc[nH+]c2N)nn1 ZINC000641165347 376832341 /nfs/dbraw/zinc/83/23/41/376832341.db2.gz CFAQQBDRJWHHCP-UHFFFAOYSA-N 2 2 276.344 0.382 20 0 CCADLP COCC[N@@H+](C)Cc1cn(Cc2ccc[nH+]c2N)nn1 ZINC000641165347 376832347 /nfs/dbraw/zinc/83/23/47/376832347.db2.gz CFAQQBDRJWHHCP-UHFFFAOYSA-N 2 2 276.344 0.382 20 0 CCADLP C[N@@H+]1CCC[C@H](CNS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641322949 376994743 /nfs/dbraw/zinc/99/47/43/376994743.db2.gz HOSWCXXEEGZAPJ-GFCCVEGCSA-N 2 2 286.401 0.144 20 0 CCADLP C[N@H+]1CCC[C@H](CNS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641322949 376994755 /nfs/dbraw/zinc/99/47/55/376994755.db2.gz HOSWCXXEEGZAPJ-GFCCVEGCSA-N 2 2 286.401 0.144 20 0 CCADLP C[C@@H]([NH3+])CNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000641471556 377154269 /nfs/dbraw/zinc/15/42/69/377154269.db2.gz GVRXSJPJVDGEBM-LLVKDONJSA-N 2 2 282.413 0.923 20 0 CCADLP CCC[N@@H+]1CC[C@H](NS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641616752 377321401 /nfs/dbraw/zinc/32/14/01/377321401.db2.gz SICQUSQILGYDIQ-LBPRGKRZSA-N 2 2 286.401 0.287 20 0 CCADLP CCC[N@H+]1CC[C@H](NS(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641616752 377321408 /nfs/dbraw/zinc/32/14/08/377321408.db2.gz SICQUSQILGYDIQ-LBPRGKRZSA-N 2 2 286.401 0.287 20 0 CCADLP O=c1[nH]c2ccc(C[NH2+]C[C@H](O)C[NH+]3CCCC3)cc2[nH]1 ZINC000641710330 377410276 /nfs/dbraw/zinc/41/02/76/377410276.db2.gz SOTYFRTZZDORQE-LBPRGKRZSA-N 2 2 290.367 0.815 20 0 CCADLP c1cc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c[nH]1 ZINC000641788759 377464376 /nfs/dbraw/zinc/46/43/76/377464376.db2.gz SLJVYGPSDAHSMP-MRXNPFEDSA-N 2 2 292.427 0.901 20 0 CCADLP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000430678408 249023098 /nfs/dbraw/zinc/02/30/98/249023098.db2.gz JCQXKXIKJMFZSN-GHMZBOCLSA-N 2 2 264.329 0.104 20 0 CCADLP Cn1nccc1[C@@H](CO)[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000459779663 249060905 /nfs/dbraw/zinc/06/09/05/249060905.db2.gz XZOHGUNHLMFRLB-QWHCGFSZSA-N 2 2 266.389 0.918 20 0 CCADLP Cn1nccc1[C@@H](CO)[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000459779663 249060907 /nfs/dbraw/zinc/06/09/07/249060907.db2.gz XZOHGUNHLMFRLB-QWHCGFSZSA-N 2 2 266.389 0.918 20 0 CCADLP CCc1cnc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)s1 ZINC000514668583 249096671 /nfs/dbraw/zinc/09/66/71/249096671.db2.gz KCUBBFYMIJSEAV-LBPRGKRZSA-N 2 2 298.456 0.403 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CC2CCOCC2)C[C@H](C)O1 ZINC000514669193 249097356 /nfs/dbraw/zinc/09/73/56/249097356.db2.gz VTIYGCBISYWROL-VNHYZAJKSA-N 2 2 286.416 0.473 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CC2CCOCC2)C[C@H](C)O1 ZINC000514669193 249097360 /nfs/dbraw/zinc/09/73/60/249097360.db2.gz VTIYGCBISYWROL-VNHYZAJKSA-N 2 2 286.416 0.473 20 0 CCADLP C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000514698799 249100416 /nfs/dbraw/zinc/10/04/16/249100416.db2.gz JHXLFIIBZHGGDW-RYUDHWBXSA-N 2 2 291.399 0.908 20 0 CCADLP C[N@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000514698799 249100419 /nfs/dbraw/zinc/10/04/19/249100419.db2.gz JHXLFIIBZHGGDW-RYUDHWBXSA-N 2 2 291.399 0.908 20 0 CCADLP C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000514698799 249100422 /nfs/dbraw/zinc/10/04/22/249100422.db2.gz JHXLFIIBZHGGDW-RYUDHWBXSA-N 2 2 291.399 0.908 20 0 CCADLP C[N@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000514698799 249100424 /nfs/dbraw/zinc/10/04/24/249100424.db2.gz JHXLFIIBZHGGDW-RYUDHWBXSA-N 2 2 291.399 0.908 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C2([NH3+])CCCCC2)CCO1 ZINC000516068408 249150181 /nfs/dbraw/zinc/15/01/81/249150181.db2.gz BLIYRHKLCGBFQV-GFCCVEGCSA-N 2 2 269.389 0.485 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2([NH3+])CCCCC2)CCO1 ZINC000516068408 249150182 /nfs/dbraw/zinc/15/01/82/249150182.db2.gz BLIYRHKLCGBFQV-GFCCVEGCSA-N 2 2 269.389 0.485 20 0 CCADLP CC1CC[NH+](C[C@@H](O)C[NH2+]C[C@@H](O)C(F)(F)F)CC1 ZINC000516182163 249154633 /nfs/dbraw/zinc/15/46/33/249154633.db2.gz LDQVHOMTWCVFQE-WDEREUQCSA-N 2 2 284.322 0.592 20 0 CCADLP CCCN(C(=O)NCC[NH+]1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000516260239 249157519 /nfs/dbraw/zinc/15/75/19/249157519.db2.gz PRRJGYYMSNZNCV-CYBMUJFWSA-N 2 2 284.404 0.102 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)C[C@H]1COCC[NH2+]1 ZINC000515645139 249140590 /nfs/dbraw/zinc/14/05/90/249140590.db2.gz UOXAJCUELPXHIZ-LBPRGKRZSA-N 2 2 266.345 0.110 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC(C2CCC2)C1 ZINC000516937581 249191732 /nfs/dbraw/zinc/19/17/32/249191732.db2.gz KVCKRAXMOGHRPP-CQSZACIVSA-N 2 2 256.390 0.657 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC(C2CCC2)C1 ZINC000516937581 249191735 /nfs/dbraw/zinc/19/17/35/249191735.db2.gz KVCKRAXMOGHRPP-CQSZACIVSA-N 2 2 256.390 0.657 20 0 CCADLP O=C(NCc1cn2ccccc2[nH+]1)[C@]12C[C@H]1CC[NH2+]2 ZINC000518193682 249243364 /nfs/dbraw/zinc/24/33/64/249243364.db2.gz KTTRHTKZDHESJT-YGRLFVJLSA-N 2 2 256.309 0.703 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@H]2CCCS2)[C@@H](C[NH3+])C1 ZINC000518345860 249246783 /nfs/dbraw/zinc/24/67/83/249246783.db2.gz WTFFKGWLRHPEIV-WDEREUQCSA-N 2 2 272.418 0.166 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@H]2CCCS2)[C@@H](C[NH3+])C1 ZINC000518345860 249246784 /nfs/dbraw/zinc/24/67/84/249246784.db2.gz WTFFKGWLRHPEIV-WDEREUQCSA-N 2 2 272.418 0.166 20 0 CCADLP CN(Cc1[nH+]ccn1Cc1ccccc1)C[C@@H](O)C[NH3+] ZINC000517377908 249217158 /nfs/dbraw/zinc/21/71/58/249217158.db2.gz XTLSXDGFAZBYBW-AWEZNQCLSA-N 2 2 274.368 0.683 20 0 CCADLP Cc1cnc([C@@H](C)[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)s1 ZINC000517435257 249219808 /nfs/dbraw/zinc/21/98/08/249219808.db2.gz AAIISUAWIGGJIN-OLZOCXBDSA-N 2 2 298.456 0.710 20 0 CCADLP [NH3+][C@H]1CCC[C@@H](Nc2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000643030176 377695978 /nfs/dbraw/zinc/69/59/78/377695978.db2.gz DZKUYPSMUTVSQB-NWDGAFQWSA-N 2 2 277.372 0.995 20 0 CCADLP [NH3+][C@H]1CCC[C@@H](Nc2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000643030176 377695988 /nfs/dbraw/zinc/69/59/88/377695988.db2.gz DZKUYPSMUTVSQB-NWDGAFQWSA-N 2 2 277.372 0.995 20 0 CCADLP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)Nc1ccon1 ZINC000643061199 377708697 /nfs/dbraw/zinc/70/86/97/377708697.db2.gz KNDAWOJSMUBMAW-GFCCVEGCSA-N 2 2 278.356 0.499 20 0 CCADLP O=C(N[C@@H]1CC[NH2+]C1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000126869634 284731124 /nfs/dbraw/zinc/73/11/24/284731124.db2.gz HCFIWGQBEPQSGG-OAHLLOKOSA-N 2 2 289.379 0.611 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000279006406 194248470 /nfs/dbraw/zinc/24/84/70/194248470.db2.gz MVLICTJNRHDMSN-GHMZBOCLSA-N 2 2 288.355 0.502 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000279020145 194253592 /nfs/dbraw/zinc/25/35/92/194253592.db2.gz ONYSVHOYXVEHKI-SECBINFHSA-N 2 2 274.328 0.448 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000279231359 194344631 /nfs/dbraw/zinc/34/46/31/194344631.db2.gz QEELPCAROMVTSS-LBPRGKRZSA-N 2 2 280.372 0.257 20 0 CCADLP CN(C)C(=O)c1ccc(C[NH2+]C2CC([NH+](C)C)C2)[nH]1 ZINC000570645480 291771838 /nfs/dbraw/zinc/77/18/38/291771838.db2.gz GYMZPSQMCFEJBT-UHFFFAOYSA-N 2 2 264.373 0.899 20 0 CCADLP O[C@H](C[NH2+]Cc1ccnn1CC1CC1)C[NH+]1CCCC1 ZINC000657325817 412960113 /nfs/dbraw/zinc/96/01/13/412960113.db2.gz LOZJMPKZKAVRNU-OAHLLOKOSA-N 2 2 278.400 0.839 20 0 CCADLP Cn1c[nH+]cc1CC(=O)Nc1ccnn1CC[NH+](C)C ZINC000571792258 291838229 /nfs/dbraw/zinc/83/82/29/291838229.db2.gz KBJXAYMLGQJBGC-UHFFFAOYSA-N 2 2 276.344 0.359 20 0 CCADLP CNC(=O)c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000335278778 208087088 /nfs/dbraw/zinc/08/70/88/208087088.db2.gz OZJKUPCFFFTVFC-KGLIPLIRSA-N 2 2 259.353 0.840 20 0 CCADLP CNC(=O)c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000335278778 208087091 /nfs/dbraw/zinc/08/70/91/208087091.db2.gz OZJKUPCFFFTVFC-KGLIPLIRSA-N 2 2 259.353 0.840 20 0 CCADLP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657389121 412976978 /nfs/dbraw/zinc/97/69/78/412976978.db2.gz HHBXIWLCFZLHOM-LBPRGKRZSA-N 2 2 298.435 0.875 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCN1CC[C@@H](C[NH+](C)C)C1 ZINC000249595537 285131532 /nfs/dbraw/zinc/13/15/32/285131532.db2.gz PSAYDFVVGUUBER-KBPBESRZSA-N 2 2 255.406 0.591 20 0 CCADLP C[C@H]1COCC[N@H+]1CCN1CC[C@@H](C[NH+](C)C)C1 ZINC000249595537 285131533 /nfs/dbraw/zinc/13/15/33/285131533.db2.gz PSAYDFVVGUUBER-KBPBESRZSA-N 2 2 255.406 0.591 20 0 CCADLP C[C@H](c1nccc(N)n1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000574819320 335050253 /nfs/dbraw/zinc/05/02/53/335050253.db2.gz BLGJPZUOKRTACZ-CYBMUJFWSA-N 2 2 294.447 0.765 20 0 CCADLP C[C@H](c1nccc(N)n1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000574819320 335050254 /nfs/dbraw/zinc/05/02/54/335050254.db2.gz BLGJPZUOKRTACZ-CYBMUJFWSA-N 2 2 294.447 0.765 20 0 CCADLP COCC(C)(C)[NH+]1CCN(CC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000425506959 533097732 /nfs/dbraw/zinc/09/77/32/533097732.db2.gz QAKDARIKUJMPQP-OAHLLOKOSA-N 2 2 299.459 0.750 20 0 CCADLP COCC(C)(C)[NH+]1CCN(CC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000425506959 533097738 /nfs/dbraw/zinc/09/77/38/533097738.db2.gz QAKDARIKUJMPQP-OAHLLOKOSA-N 2 2 299.459 0.750 20 0 CCADLP C[C@@H]1C[C@H](C)[N@H+](Cc2nc(N)nc(N(C)C)n2)C[C@H]1C[NH3+] ZINC000397322329 285236428 /nfs/dbraw/zinc/23/64/28/285236428.db2.gz TXLAEVGUSQVQFT-OUAUKWLOSA-N 2 2 293.419 0.155 20 0 CCADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2nc(N)nc(N(C)C)n2)C[C@H]1C[NH3+] ZINC000397322329 285236429 /nfs/dbraw/zinc/23/64/29/285236429.db2.gz TXLAEVGUSQVQFT-OUAUKWLOSA-N 2 2 293.419 0.155 20 0 CCADLP C[C@@H](C(=O)N1CCC2(C1)CC[NH2+]CC2)[NH+]1CCOCC1 ZINC000358504647 533195429 /nfs/dbraw/zinc/19/54/29/533195429.db2.gz HKYBRJXQTFTIQS-ZDUSSCGKSA-N 2 2 281.400 0.309 20 0 CCADLP COCCO[C@H]1CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425332569 533200118 /nfs/dbraw/zinc/20/01/18/533200118.db2.gz CVOHCWGMSNREED-ZDUSSCGKSA-N 2 2 282.388 0.723 20 0 CCADLP COCCO[C@H]1CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425332569 533200123 /nfs/dbraw/zinc/20/01/23/533200123.db2.gz CVOHCWGMSNREED-ZDUSSCGKSA-N 2 2 282.388 0.723 20 0 CCADLP OCCO[C@]1(C[NH2+]Cc2c[nH+]c3n2CCC3)CCOC1 ZINC000657598898 413030712 /nfs/dbraw/zinc/03/07/12/413030712.db2.gz TYWAKDWDRKXMGZ-AWEZNQCLSA-N 2 2 281.356 0.087 20 0 CCADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000575044375 335058514 /nfs/dbraw/zinc/05/85/14/335058514.db2.gz XRHSBFOFQZCRGX-VXGBXAGGSA-N 2 2 284.404 0.276 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N(C)CCC[NH+](C)C ZINC000186027262 388820081 /nfs/dbraw/zinc/82/00/81/388820081.db2.gz PKBWGERCURWFDS-CQSZACIVSA-N 2 2 299.463 0.215 20 0 CCADLP [NH3+]Cc1cc(C(=O)NCCC[NH+]2CCOCC2)co1 ZINC000188024131 388909349 /nfs/dbraw/zinc/90/93/49/388909349.db2.gz GURCSMJUEVRTFN-UHFFFAOYSA-N 2 2 267.329 0.190 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000291042422 388916734 /nfs/dbraw/zinc/91/67/34/388916734.db2.gz OEPUAGMQKTWZEN-BXUZGUMPSA-N 2 2 289.383 0.891 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000291042422 388916736 /nfs/dbraw/zinc/91/67/36/388916736.db2.gz OEPUAGMQKTWZEN-BXUZGUMPSA-N 2 2 289.383 0.891 20 0 CCADLP NC(=O)c1c[nH+]ccc1NCC[N@@H+]1CCCOCC1 ZINC000188499651 388930670 /nfs/dbraw/zinc/93/06/70/388930670.db2.gz POATZOUNFXHURG-UHFFFAOYSA-N 2 2 264.329 0.315 20 0 CCADLP CCNC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069858187 388951932 /nfs/dbraw/zinc/95/19/32/388951932.db2.gz HZRIKPABZDQZSB-AWEZNQCLSA-N 2 2 283.416 0.557 20 0 CCADLP CCNC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069858187 388951933 /nfs/dbraw/zinc/95/19/33/388951933.db2.gz HZRIKPABZDQZSB-AWEZNQCLSA-N 2 2 283.416 0.557 20 0 CCADLP O=C(C[C@H]1CC[NH2+]C1)NCc1ccn2cc[nH+]c2c1 ZINC000190161321 388984477 /nfs/dbraw/zinc/98/44/77/388984477.db2.gz QJPYLUYUIXJDCR-LLVKDONJSA-N 2 2 258.325 0.950 20 0 CCADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NCc2cccnc2)C1 ZINC000072859493 388971882 /nfs/dbraw/zinc/97/18/82/388971882.db2.gz WICJSMKJYUDCPE-HNNXBMFYSA-N 2 2 290.411 0.971 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NCc2cccnc2)C1 ZINC000072859493 388971887 /nfs/dbraw/zinc/97/18/87/388971887.db2.gz WICJSMKJYUDCPE-HNNXBMFYSA-N 2 2 290.411 0.971 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCc2cccnc2)C1 ZINC000072859493 388971889 /nfs/dbraw/zinc/97/18/89/388971889.db2.gz WICJSMKJYUDCPE-HNNXBMFYSA-N 2 2 290.411 0.971 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCc2cccnc2)C1 ZINC000072859493 388971891 /nfs/dbraw/zinc/97/18/91/388971891.db2.gz WICJSMKJYUDCPE-HNNXBMFYSA-N 2 2 290.411 0.971 20 0 CCADLP COCC[N@H+](CC[C@H]1CCC[NH+]1C)CC(=O)N(C)C ZINC000089425378 389016559 /nfs/dbraw/zinc/01/65/59/389016559.db2.gz WDZJFHRBHIYKOZ-CYBMUJFWSA-N 2 2 271.405 0.507 20 0 CCADLP COCC[N@@H+](CC[C@H]1CCC[NH+]1C)CC(=O)N(C)C ZINC000089425378 389016562 /nfs/dbraw/zinc/01/65/62/389016562.db2.gz WDZJFHRBHIYKOZ-CYBMUJFWSA-N 2 2 271.405 0.507 20 0 CCADLP COCC[NH+](CC[C@H]1CCC[N@@H+]1C)CC(=O)N(C)C ZINC000089425378 389016567 /nfs/dbraw/zinc/01/65/67/389016567.db2.gz WDZJFHRBHIYKOZ-CYBMUJFWSA-N 2 2 271.405 0.507 20 0 CCADLP COCC[NH+](CC[C@H]1CCC[N@H+]1C)CC(=O)N(C)C ZINC000089425378 389016572 /nfs/dbraw/zinc/01/65/72/389016572.db2.gz WDZJFHRBHIYKOZ-CYBMUJFWSA-N 2 2 271.405 0.507 20 0 CCADLP C[C@H]1C[C@@H]([NH+](C)CCN2CCNC2=O)CC[N@@H+]1C ZINC000336791628 389019553 /nfs/dbraw/zinc/01/95/53/389019553.db2.gz OGAARXXGPYQQHB-RYUDHWBXSA-N 2 2 254.378 0.426 20 0 CCADLP C[C@H]1C[C@@H]([NH+](C)CCN2CCNC2=O)CC[N@H+]1C ZINC000336791628 389019557 /nfs/dbraw/zinc/01/95/57/389019557.db2.gz OGAARXXGPYQQHB-RYUDHWBXSA-N 2 2 254.378 0.426 20 0 CCADLP C[C@H]1C[C@@H]([N@H+](C)CCN2CCNC2=O)CC[NH+]1C ZINC000336791628 389019564 /nfs/dbraw/zinc/01/95/64/389019564.db2.gz OGAARXXGPYQQHB-RYUDHWBXSA-N 2 2 254.378 0.426 20 0 CCADLP C[C@H]1C[C@@H]([N@@H+](C)CCN2CCNC2=O)CC[NH+]1C ZINC000336791628 389019566 /nfs/dbraw/zinc/01/95/66/389019566.db2.gz OGAARXXGPYQQHB-RYUDHWBXSA-N 2 2 254.378 0.426 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCN1CC[NH+](C2CCC2)CC1 ZINC000337131394 389046997 /nfs/dbraw/zinc/04/69/97/389046997.db2.gz AAJBXWVFIIWFRB-CQSZACIVSA-N 2 2 267.417 0.877 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCN1CC[NH+](C2CCC2)CC1 ZINC000337131394 389047002 /nfs/dbraw/zinc/04/70/02/389047002.db2.gz AAJBXWVFIIWFRB-CQSZACIVSA-N 2 2 267.417 0.877 20 0 CCADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NC1CCCCCC1 ZINC000107574017 389097332 /nfs/dbraw/zinc/09/73/32/389097332.db2.gz VRWBNKKFBOXOTL-BETUJISGSA-N 2 2 265.401 0.977 20 0 CCADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NC1CCCCCC1 ZINC000107574017 389097337 /nfs/dbraw/zinc/09/73/37/389097337.db2.gz VRWBNKKFBOXOTL-BETUJISGSA-N 2 2 265.401 0.977 20 0 CCADLP C[C@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)CC(C)(C)O1 ZINC000311123438 389101498 /nfs/dbraw/zinc/10/14/98/389101498.db2.gz YEHOODVPILPTKG-WCQYABFASA-N 2 2 256.390 0.941 20 0 CCADLP C[C@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)CC(C)(C)O1 ZINC000311123438 389101500 /nfs/dbraw/zinc/10/15/00/389101500.db2.gz YEHOODVPILPTKG-WCQYABFASA-N 2 2 256.390 0.941 20 0 CCADLP C[C@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC(C)(C)O1 ZINC000311123438 389101502 /nfs/dbraw/zinc/10/15/02/389101502.db2.gz YEHOODVPILPTKG-WCQYABFASA-N 2 2 256.390 0.941 20 0 CCADLP C[C@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC(C)(C)O1 ZINC000311123438 389101505 /nfs/dbraw/zinc/10/15/05/389101505.db2.gz YEHOODVPILPTKG-WCQYABFASA-N 2 2 256.390 0.941 20 0 CCADLP CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000338270098 389102173 /nfs/dbraw/zinc/10/21/73/389102173.db2.gz JXTMJAKFEFLKMG-UHFFFAOYSA-N 2 2 254.378 0.474 20 0 CCADLP Cc1nc(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)nc(N)[nH+]1 ZINC000311969351 389106114 /nfs/dbraw/zinc/10/61/14/389106114.db2.gz JMXXTSBZVLCKLM-MNOVXSKESA-N 2 2 262.361 0.683 20 0 CCADLP Cc1nc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)nc(N)[nH+]1 ZINC000311969351 389106116 /nfs/dbraw/zinc/10/61/16/389106116.db2.gz JMXXTSBZVLCKLM-MNOVXSKESA-N 2 2 262.361 0.683 20 0 CCADLP Cc1nc(N)nc(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)[nH+]1 ZINC000311969351 389106118 /nfs/dbraw/zinc/10/61/18/389106118.db2.gz JMXXTSBZVLCKLM-MNOVXSKESA-N 2 2 262.361 0.683 20 0 CCADLP Cc1nc(N)nc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)[nH+]1 ZINC000311969351 389106119 /nfs/dbraw/zinc/10/61/19/389106119.db2.gz JMXXTSBZVLCKLM-MNOVXSKESA-N 2 2 262.361 0.683 20 0 CCADLP CC[C@@H](C)[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C(=O)OC ZINC000338288653 389106673 /nfs/dbraw/zinc/10/66/73/389106673.db2.gz MEAHCDJWFTWTPT-OCCSQVGLSA-N 2 2 299.415 0.328 20 0 CCADLP COCCC(=O)N1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000355664267 389108794 /nfs/dbraw/zinc/10/87/94/389108794.db2.gz SGIJIFHGECKLKS-UHFFFAOYSA-N 2 2 294.399 0.762 20 0 CCADLP C[C@H]1CN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@H](C)[NH+]1C ZINC000339617625 389135676 /nfs/dbraw/zinc/13/56/76/389135676.db2.gz AYKVXYQMFBRTRJ-ZQDZILKHSA-N 2 2 267.417 0.874 20 0 CCADLP C[C@H]1CN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@H](C)[NH+]1C ZINC000339617625 389135681 /nfs/dbraw/zinc/13/56/81/389135681.db2.gz AYKVXYQMFBRTRJ-ZQDZILKHSA-N 2 2 267.417 0.874 20 0 CCADLP CC[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000120516758 389142565 /nfs/dbraw/zinc/14/25/65/389142565.db2.gz RGFQGFJGBJTIAO-CYBMUJFWSA-N 2 2 253.390 0.882 20 0 CCADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC000329629854 389179324 /nfs/dbraw/zinc/17/93/24/389179324.db2.gz WCMHHAWPJXRLHV-LLVKDONJSA-N 2 2 290.371 0.704 20 0 CCADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC000329629854 389179327 /nfs/dbraw/zinc/17/93/27/389179327.db2.gz WCMHHAWPJXRLHV-LLVKDONJSA-N 2 2 290.371 0.704 20 0 CCADLP Cc1c[nH+]c(CNC[C@H]2C[N@H+](C)CCN2C)n1C ZINC000341004766 389179646 /nfs/dbraw/zinc/17/96/46/389179646.db2.gz CIBHUYLVPGZZKY-LBPRGKRZSA-N 2 2 251.378 0.064 20 0 CCADLP Cc1c[nH+]c(CNC[C@H]2C[N@@H+](C)CCN2C)n1C ZINC000341004766 389179650 /nfs/dbraw/zinc/17/96/50/389179650.db2.gz CIBHUYLVPGZZKY-LBPRGKRZSA-N 2 2 251.378 0.064 20 0 CCADLP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000237891858 389196330 /nfs/dbraw/zinc/19/63/30/389196330.db2.gz JXGAVEZQHFVBOQ-ZIAGYGMSSA-N 2 2 283.416 0.733 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000359034570 389165436 /nfs/dbraw/zinc/16/54/36/389165436.db2.gz IJBXNVQGXYUJRP-VXGBXAGGSA-N 2 2 274.430 0.884 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000359034570 389165439 /nfs/dbraw/zinc/16/54/39/389165439.db2.gz IJBXNVQGXYUJRP-VXGBXAGGSA-N 2 2 274.430 0.884 20 0 CCADLP C[C@@H](CCS(C)(=O)=O)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000127136774 389173074 /nfs/dbraw/zinc/17/30/74/389173074.db2.gz LOCMLJVAUQHJBN-SRVKXCTJSA-N 2 2 262.419 0.882 20 0 CCADLP C[C@@H](CCS(C)(=O)=O)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000127136774 389173077 /nfs/dbraw/zinc/17/30/77/389173077.db2.gz LOCMLJVAUQHJBN-SRVKXCTJSA-N 2 2 262.419 0.882 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248141068 389244797 /nfs/dbraw/zinc/24/47/97/389244797.db2.gz PQHYNWWLWZDKDV-SDDRHHMPSA-N 2 2 282.388 0.247 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248141068 389244799 /nfs/dbraw/zinc/24/47/99/389244799.db2.gz PQHYNWWLWZDKDV-SDDRHHMPSA-N 2 2 282.388 0.247 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248141068 389244802 /nfs/dbraw/zinc/24/48/02/389244802.db2.gz PQHYNWWLWZDKDV-SDDRHHMPSA-N 2 2 282.388 0.247 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248141068 389244805 /nfs/dbraw/zinc/24/48/05/389244805.db2.gz PQHYNWWLWZDKDV-SDDRHHMPSA-N 2 2 282.388 0.247 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1CC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000343581096 389267334 /nfs/dbraw/zinc/26/73/34/389267334.db2.gz LMUFCYTXAYBILI-TUVASFSCSA-N 2 2 267.417 0.874 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1CC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000343581096 389267337 /nfs/dbraw/zinc/26/73/37/389267337.db2.gz LMUFCYTXAYBILI-TUVASFSCSA-N 2 2 267.417 0.874 20 0 CCADLP C[C@@H]1C[NH+](C)[C@H](C)CN1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000343581096 389267340 /nfs/dbraw/zinc/26/73/40/389267340.db2.gz LMUFCYTXAYBILI-TUVASFSCSA-N 2 2 267.417 0.874 20 0 CCADLP C[C@@H]1C[NH+](C)[C@H](C)CN1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000343581096 389267342 /nfs/dbraw/zinc/26/73/42/389267342.db2.gz LMUFCYTXAYBILI-TUVASFSCSA-N 2 2 267.417 0.874 20 0 CCADLP Cc1nc(N2CC[N@@H+]3CCOC[C@H]3C2)c(C)c(C)[nH+]1 ZINC000363778304 389253595 /nfs/dbraw/zinc/25/35/95/389253595.db2.gz QGLQJDUWQNZWJH-CYBMUJFWSA-N 2 2 262.357 0.923 20 0 CCADLP Cc1nc(N2CC[N@H+]3CCOC[C@H]3C2)c(C)c(C)[nH+]1 ZINC000363778304 389253596 /nfs/dbraw/zinc/25/35/96/389253596.db2.gz QGLQJDUWQNZWJH-CYBMUJFWSA-N 2 2 262.357 0.923 20 0 CCADLP CCC[C@H]([NH3+])C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000246230124 389226174 /nfs/dbraw/zinc/22/61/74/389226174.db2.gz HSAIYRLWSLHIAI-AGIUHOORSA-N 2 2 269.389 0.293 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)CC1 ZINC000253090813 389266411 /nfs/dbraw/zinc/26/64/11/389266411.db2.gz IOSFFDZQPOIQMB-RRFJBIMHSA-N 2 2 295.427 0.386 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)CC1 ZINC000253090813 389266414 /nfs/dbraw/zinc/26/64/14/389266414.db2.gz IOSFFDZQPOIQMB-RRFJBIMHSA-N 2 2 295.427 0.386 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247237753 389238103 /nfs/dbraw/zinc/23/81/03/389238103.db2.gz ZABQDMAINCXBCC-QWHCGFSZSA-N 2 2 296.415 0.781 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247237753 389238106 /nfs/dbraw/zinc/23/81/06/389238106.db2.gz ZABQDMAINCXBCC-QWHCGFSZSA-N 2 2 296.415 0.781 20 0 CCADLP C[C@H]1CCC[N@H+](CCNC(=O)NCc2[nH+]ccn2C)C1 ZINC000264253226 389315783 /nfs/dbraw/zinc/31/57/83/389315783.db2.gz ZAMLPFHZSVXLCC-LBPRGKRZSA-N 2 2 279.388 0.951 20 0 CCADLP C[C@H]1CCC[N@@H+](CCNC(=O)NCc2[nH+]ccn2C)C1 ZINC000264253226 389315786 /nfs/dbraw/zinc/31/57/86/389315786.db2.gz ZAMLPFHZSVXLCC-LBPRGKRZSA-N 2 2 279.388 0.951 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)[C@H]1CCCO1 ZINC000346548963 389331920 /nfs/dbraw/zinc/33/19/20/389331920.db2.gz FBQIZKBOOQXSHA-RWMBFGLXSA-N 2 2 269.389 0.483 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)[C@H]1CCCO1 ZINC000346548963 389331924 /nfs/dbraw/zinc/33/19/24/389331924.db2.gz FBQIZKBOOQXSHA-RWMBFGLXSA-N 2 2 269.389 0.483 20 0 CCADLP CC(=O)NCCC[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000343920784 389275948 /nfs/dbraw/zinc/27/59/48/389275948.db2.gz IGTPLRDIBZFING-ZBFHGGJFSA-N 2 2 296.459 0.470 20 0 CCADLP CC(=O)NCCC[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000343920784 389275950 /nfs/dbraw/zinc/27/59/50/389275950.db2.gz IGTPLRDIBZFING-ZBFHGGJFSA-N 2 2 296.459 0.470 20 0 CCADLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262915980 389296186 /nfs/dbraw/zinc/29/61/86/389296186.db2.gz GILQTDSVCPVBBV-WPRPVWTQSA-N 2 2 259.300 0.337 20 0 CCADLP CN(C)c1cc[nH+]c(NC[C@H]2C[N@H+](C)CCO2)n1 ZINC000153370172 389298716 /nfs/dbraw/zinc/29/87/16/389298716.db2.gz SCKSESMCRWPOBR-JTQLQIEISA-N 2 2 251.334 0.285 20 0 CCADLP CN(C)c1cc[nH+]c(NC[C@H]2C[N@@H+](C)CCO2)n1 ZINC000153370172 389298719 /nfs/dbraw/zinc/29/87/19/389298719.db2.gz SCKSESMCRWPOBR-JTQLQIEISA-N 2 2 251.334 0.285 20 0 CCADLP CC(=O)[C@](C)(O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000331335609 389303795 /nfs/dbraw/zinc/30/37/95/389303795.db2.gz QFLFMIOORHWRPQ-DGCLKSJQSA-N 2 2 251.330 0.929 20 0 CCADLP CC(=O)[C@](C)(O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000331335609 389303800 /nfs/dbraw/zinc/30/38/00/389303800.db2.gz QFLFMIOORHWRPQ-DGCLKSJQSA-N 2 2 251.330 0.929 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC[N@H+]1C ZINC000332984097 389399486 /nfs/dbraw/zinc/39/94/86/389399486.db2.gz SYSMSEOTBDKHMG-FRRDWIJNSA-N 2 2 291.399 0.980 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)C1 ZINC000347723989 389356181 /nfs/dbraw/zinc/35/61/81/389356181.db2.gz PNEJWPARQGVOGW-CABCVRRESA-N 3 2 268.449 0.554 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)C1 ZINC000347723989 389356185 /nfs/dbraw/zinc/35/61/85/389356185.db2.gz PNEJWPARQGVOGW-CABCVRRESA-N 3 2 268.449 0.554 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1c[nH]cn1 ZINC000265656121 389360472 /nfs/dbraw/zinc/36/04/72/389360472.db2.gz WGVCFXDERXNVEJ-UHFFFAOYSA-N 2 2 279.388 0.508 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1c[nH]cn1 ZINC000265656121 389360475 /nfs/dbraw/zinc/36/04/75/389360475.db2.gz WGVCFXDERXNVEJ-UHFFFAOYSA-N 2 2 279.388 0.508 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnc[nH]1 ZINC000265656121 389360477 /nfs/dbraw/zinc/36/04/77/389360477.db2.gz WGVCFXDERXNVEJ-UHFFFAOYSA-N 2 2 279.388 0.508 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnc[nH]1 ZINC000265656121 389360480 /nfs/dbraw/zinc/36/04/80/389360480.db2.gz WGVCFXDERXNVEJ-UHFFFAOYSA-N 2 2 279.388 0.508 20 0 CCADLP CC[NH+]1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000170836693 389464398 /nfs/dbraw/zinc/46/43/98/389464398.db2.gz JLLNCQTWXXNDOV-UHFFFAOYSA-N 2 2 298.431 0.444 20 0 CCADLP CC[NH+]1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000170836693 389464401 /nfs/dbraw/zinc/46/44/01/389464401.db2.gz JLLNCQTWXXNDOV-UHFFFAOYSA-N 2 2 298.431 0.444 20 0 CCADLP CCOC(=O)C1([C@H](C)[NH2+]CC[NH+]2CCCC2)CC[NH2+]CC1 ZINC000422752964 389468107 /nfs/dbraw/zinc/46/81/07/389468107.db2.gz BSHFEDZUAUIAHY-AWEZNQCLSA-N 3 2 297.443 0.993 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000422768316 389469912 /nfs/dbraw/zinc/46/99/12/389469912.db2.gz NTFNNODOPQPZGW-STQMWFEESA-N 2 2 269.389 0.295 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000422768316 389469916 /nfs/dbraw/zinc/46/99/16/389469916.db2.gz NTFNNODOPQPZGW-STQMWFEESA-N 2 2 269.389 0.295 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000422768313 389470185 /nfs/dbraw/zinc/47/01/85/389470185.db2.gz NTFNNODOPQPZGW-CHWSQXEVSA-N 2 2 269.389 0.295 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000422768313 389470188 /nfs/dbraw/zinc/47/01/88/389470188.db2.gz NTFNNODOPQPZGW-CHWSQXEVSA-N 2 2 269.389 0.295 20 0 CCADLP O=C(NCC[C@@H]1CC[NH2+]C1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000422813299 389480597 /nfs/dbraw/zinc/48/05/97/389480597.db2.gz ZIIKKTXJDCNTKX-LBPRGKRZSA-N 2 2 285.351 0.997 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1NC1CC[NH+](CC(C)C)CC1 ZINC000422820489 389481372 /nfs/dbraw/zinc/48/13/72/389481372.db2.gz QXTDVVTWSDNDQY-GJZGRUSLSA-N 2 2 297.443 0.990 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000422818364 389481512 /nfs/dbraw/zinc/48/15/12/389481512.db2.gz KCTFHGVCXMRPHP-HZSPNIEDSA-N 2 2 283.416 0.696 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000422818364 389481515 /nfs/dbraw/zinc/48/15/15/389481515.db2.gz KCTFHGVCXMRPHP-HZSPNIEDSA-N 2 2 283.416 0.696 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413166456 389483547 /nfs/dbraw/zinc/48/35/47/389483547.db2.gz GJUXDMOXGQNECO-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP C[N@H+]1CCC[C@@H]1CNC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413166456 389483552 /nfs/dbraw/zinc/48/35/52/389483552.db2.gz GJUXDMOXGQNECO-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000422839770 389488264 /nfs/dbraw/zinc/48/82/64/389488264.db2.gz RFVXZXHBKBHEFL-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000422839770 389488266 /nfs/dbraw/zinc/48/82/66/389488266.db2.gz RFVXZXHBKBHEFL-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000422843842 389489547 /nfs/dbraw/zinc/48/95/47/389489547.db2.gz JTTFVRFQNJDPHA-MELADBBJSA-N 2 2 283.416 0.683 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000422843842 389489551 /nfs/dbraw/zinc/48/95/51/389489551.db2.gz JTTFVRFQNJDPHA-MELADBBJSA-N 2 2 283.416 0.683 20 0 CCADLP CC[C@H](CCO)C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422849697 389490652 /nfs/dbraw/zinc/49/06/52/389490652.db2.gz CGXVGCLJFWCKTD-XBFCOCLRSA-N 2 2 256.390 0.752 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000163237542 389425807 /nfs/dbraw/zinc/42/58/07/389425807.db2.gz ZSGDDMKNEKUXGC-GFCCVEGCSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1n1cc[nH+]c1 ZINC000163282409 389427718 /nfs/dbraw/zinc/42/77/18/389427718.db2.gz QJKRLEWOFYQYAD-NEPJUHHUSA-N 2 2 291.355 0.318 20 0 CCADLP C[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1n1cc[nH+]c1 ZINC000163282409 389427720 /nfs/dbraw/zinc/42/77/20/389427720.db2.gz QJKRLEWOFYQYAD-NEPJUHHUSA-N 2 2 291.355 0.318 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCC[NH+]1CCC(C)CC1 ZINC000422852754 389491846 /nfs/dbraw/zinc/49/18/46/389491846.db2.gz BFFFSBLNRMOOIO-ZIAGYGMSSA-N 2 2 283.416 0.602 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000270711830 389435296 /nfs/dbraw/zinc/43/52/96/389435296.db2.gz VEWYJXLUBYIZBN-CQSZACIVSA-N 2 2 294.399 0.626 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000270711830 389435299 /nfs/dbraw/zinc/43/52/99/389435299.db2.gz VEWYJXLUBYIZBN-CQSZACIVSA-N 2 2 294.399 0.626 20 0 CCADLP O=C([C@H]1CSC[NH2+]1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000165555456 389439484 /nfs/dbraw/zinc/43/94/84/389439484.db2.gz MMMVXJIIGBHPJT-VHSXEESVSA-N 2 2 266.370 0.778 20 0 CCADLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1nccn1C ZINC000271663619 389443929 /nfs/dbraw/zinc/44/39/29/389443929.db2.gz DWUORMJNLDTAAH-QWHCGFSZSA-N 2 2 293.415 0.801 20 0 CCADLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1nccn1C ZINC000271663619 389443931 /nfs/dbraw/zinc/44/39/31/389443931.db2.gz DWUORMJNLDTAAH-QWHCGFSZSA-N 2 2 293.415 0.801 20 0 CCADLP COCCN1CCC[C@@H]1C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000422701844 389453601 /nfs/dbraw/zinc/45/36/01/389453601.db2.gz CSJHTVBRKAVSNC-QLFBSQMISA-N 2 2 285.432 0.454 20 0 CCADLP CN(CC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)CC(F)(F)F ZINC000422703835 389455167 /nfs/dbraw/zinc/45/51/67/389455167.db2.gz IZACNZRULXMUAM-VXGBXAGGSA-N 2 2 295.349 0.837 20 0 CCADLP CC(=O)N1CC[N@H+](CCCn2cc[nH+]c2)[C@@H](C)C1 ZINC000272017929 389457434 /nfs/dbraw/zinc/45/74/34/389457434.db2.gz UXJGQYPIIXABSV-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP CC(=O)N1CC[N@@H+](CCCn2cc[nH+]c2)[C@@H](C)C1 ZINC000272017929 389457441 /nfs/dbraw/zinc/45/74/41/389457441.db2.gz UXJGQYPIIXABSV-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP COC[C@@H](C)[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000173646433 389505960 /nfs/dbraw/zinc/50/59/60/389505960.db2.gz NUHKVRWNRXJZKA-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP C[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1c[nH+]ccc1N ZINC000422924021 389506332 /nfs/dbraw/zinc/50/63/32/389506332.db2.gz XLKWDIMVAANPPT-VHSXEESVSA-N 2 2 260.341 0.908 20 0 CCADLP CC(C)COC[C@H](O)C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422967792 389511393 /nfs/dbraw/zinc/51/13/93/389511393.db2.gz CNWVSNCRTPTNAM-RBSFLKMASA-N 2 2 286.416 0.377 20 0 CCADLP Cc1cc(CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)cc(C)[nH+]1 ZINC000422977061 389515171 /nfs/dbraw/zinc/51/51/71/389515171.db2.gz WBKDNUQXHDDCJJ-ZDUSSCGKSA-N 2 2 290.367 0.264 20 0 CCADLP CC1=CC[N@H+](CCN[C@@H](C)C[C@@H]2COCC[NH2+]2)CC1 ZINC000423036813 389525750 /nfs/dbraw/zinc/52/57/50/389525750.db2.gz LQUGMYOIQOTPQP-LSDHHAIUSA-N 2 2 267.417 0.995 20 0 CCADLP CC1=CC[N@@H+](CCN[C@@H](C)C[C@@H]2COCC[NH2+]2)CC1 ZINC000423036813 389525755 /nfs/dbraw/zinc/52/57/55/389525755.db2.gz LQUGMYOIQOTPQP-LSDHHAIUSA-N 2 2 267.417 0.995 20 0 CCADLP CC1=CCN(CC[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)CC1 ZINC000423036813 389525760 /nfs/dbraw/zinc/52/57/60/389525760.db2.gz LQUGMYOIQOTPQP-LSDHHAIUSA-N 2 2 267.417 0.995 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC2CCOCC2)[C@H](C)C1 ZINC000174778862 389529616 /nfs/dbraw/zinc/52/96/16/389529616.db2.gz KZSUVUFKYZOBAE-UKRRQHHQSA-N 2 2 297.443 0.944 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC2CCOCC2)[C@H](C)C1 ZINC000174778862 389529623 /nfs/dbraw/zinc/52/96/23/389529623.db2.gz KZSUVUFKYZOBAE-UKRRQHHQSA-N 2 2 297.443 0.944 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC2CCOCC2)[C@H](C)C1 ZINC000174778862 389529626 /nfs/dbraw/zinc/52/96/26/389529626.db2.gz KZSUVUFKYZOBAE-UKRRQHHQSA-N 2 2 297.443 0.944 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC2CCOCC2)[C@H](C)C1 ZINC000174778862 389529630 /nfs/dbraw/zinc/52/96/30/389529630.db2.gz KZSUVUFKYZOBAE-UKRRQHHQSA-N 2 2 297.443 0.944 20 0 CCADLP COC[C@@]1(C(=O)NCCCNc2cccc[nH+]2)CC[NH2+]C1 ZINC000423347511 389570421 /nfs/dbraw/zinc/57/04/21/389570421.db2.gz RLVZVAWVKYTQQF-OAHLLOKOSA-N 2 2 292.383 0.626 20 0 CCADLP OCCC[N@@H+]1CCC[C@H](N[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000423149160 389544160 /nfs/dbraw/zinc/54/41/60/389544160.db2.gz XGWWWTJLSQGEER-XHSDSOJGSA-N 2 2 297.443 0.190 20 0 CCADLP OCCC[N@H+]1CCC[C@H](N[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000423149160 389544163 /nfs/dbraw/zinc/54/41/63/389544163.db2.gz XGWWWTJLSQGEER-XHSDSOJGSA-N 2 2 297.443 0.190 20 0 CCADLP OCCCN1CCC[C@H]([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000423149160 389544166 /nfs/dbraw/zinc/54/41/66/389544166.db2.gz XGWWWTJLSQGEER-XHSDSOJGSA-N 2 2 297.443 0.190 20 0 CCADLP C(CN1C[C@H]2CC[C@@H](C1)O2)[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423151690 389545816 /nfs/dbraw/zinc/54/58/16/389545816.db2.gz KRJQPPOLHITDJU-QKPAOTATSA-N 2 2 295.427 0.206 20 0 CCADLP CCC[N@H+](C)C[C@H]1CC[NH+](CCNS(=O)(=O)CC)C1 ZINC000176277080 389555452 /nfs/dbraw/zinc/55/54/52/389555452.db2.gz KXHRPXYVUVILBE-CYBMUJFWSA-N 2 2 291.461 0.589 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CCNS(=O)(=O)CC)C1 ZINC000176277080 389555457 /nfs/dbraw/zinc/55/54/57/389555457.db2.gz KXHRPXYVUVILBE-CYBMUJFWSA-N 2 2 291.461 0.589 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@H+](CCNS(=O)(=O)CC)C1 ZINC000176277080 389555458 /nfs/dbraw/zinc/55/54/58/389555458.db2.gz KXHRPXYVUVILBE-CYBMUJFWSA-N 2 2 291.461 0.589 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CCNS(=O)(=O)CC)C1 ZINC000176277080 389555462 /nfs/dbraw/zinc/55/54/62/389555462.db2.gz KXHRPXYVUVILBE-CYBMUJFWSA-N 2 2 291.461 0.589 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@@H](C[NH3+])C1CCCCC1 ZINC000423260885 389557692 /nfs/dbraw/zinc/55/76/92/389557692.db2.gz IPRCFWHUKTUAED-MELADBBJSA-N 2 2 283.416 0.777 20 0 CCADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423260885 389557694 /nfs/dbraw/zinc/55/76/94/389557694.db2.gz IPRCFWHUKTUAED-MELADBBJSA-N 2 2 283.416 0.777 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@H](C[NH3+])C1CCCCC1 ZINC000423260883 389557781 /nfs/dbraw/zinc/55/77/81/389557781.db2.gz IPRCFWHUKTUAED-BFHYXJOUSA-N 2 2 283.416 0.777 20 0 CCADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423260883 389557784 /nfs/dbraw/zinc/55/77/84/389557784.db2.gz IPRCFWHUKTUAED-BFHYXJOUSA-N 2 2 283.416 0.777 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)[NH+]1CCOCC1 ZINC000423308106 389562137 /nfs/dbraw/zinc/56/21/37/389562137.db2.gz XJOKGRYNCICFDU-QLFBSQMISA-N 2 2 297.443 0.848 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423317039 389563129 /nfs/dbraw/zinc/56/31/29/389563129.db2.gz BEMCPOKACPRUQD-OLZOCXBDSA-N 3 2 255.406 0.733 20 0 CCADLP CCC([NH3+])(CC)CNC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000422883315 389498783 /nfs/dbraw/zinc/49/87/83/389498783.db2.gz URTMVEDEFDGISB-UHFFFAOYSA-N 2 2 286.420 0.077 20 0 CCADLP CCC([NH3+])(CC)CNC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000422883315 389498787 /nfs/dbraw/zinc/49/87/87/389498787.db2.gz URTMVEDEFDGISB-UHFFFAOYSA-N 2 2 286.420 0.077 20 0 CCADLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)[C@@H]1CCCC[NH2+]1 ZINC000422888569 389500257 /nfs/dbraw/zinc/50/02/57/389500257.db2.gz NIPKFNPLHYNGOJ-KKUMJFAQSA-N 3 2 296.459 0.837 20 0 CCADLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)[C@@H]1CCCC[NH2+]1 ZINC000422888569 389500260 /nfs/dbraw/zinc/50/02/60/389500260.db2.gz NIPKFNPLHYNGOJ-KKUMJFAQSA-N 3 2 296.459 0.837 20 0 CCADLP CCCC[C@H](C[NH3+])NC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000422896398 389500883 /nfs/dbraw/zinc/50/08/83/389500883.db2.gz AAQIKSUUDNLANN-GFCCVEGCSA-N 2 2 286.420 0.077 20 0 CCADLP CCCC[C@H](C[NH3+])NC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000422896398 389500887 /nfs/dbraw/zinc/50/08/87/389500887.db2.gz AAQIKSUUDNLANN-GFCCVEGCSA-N 2 2 286.420 0.077 20 0 CCADLP COCCN(C)c1ccc(C[NH2+][C@@H](C)C[NH3+])cn1 ZINC000414944123 389646711 /nfs/dbraw/zinc/64/67/11/389646711.db2.gz NNXLGOFVMXBCQM-NSHDSACASA-N 2 2 252.362 0.601 20 0 CCADLP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414362123 389612883 /nfs/dbraw/zinc/61/28/83/389612883.db2.gz IXZSEWJRKUTBJP-AWEZNQCLSA-N 3 2 297.447 0.933 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CC2(C(N)=O)CCCC2)n1C ZINC000414390940 389613602 /nfs/dbraw/zinc/61/36/02/389613602.db2.gz KDPSHGYXIAANLF-UHFFFAOYSA-N 2 2 279.388 0.621 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1cccc2c1OCCO2 ZINC000414956635 389647555 /nfs/dbraw/zinc/64/75/55/389647555.db2.gz ATFMNVCSJHVHGU-CYBMUJFWSA-N 2 2 277.368 0.451 20 0 CCADLP Cc1[nH]ncc1C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414963415 389647792 /nfs/dbraw/zinc/64/77/92/389647792.db2.gz BAQYTMPZPDIWGT-NSHDSACASA-N 2 2 291.321 0.644 20 0 CCADLP [NH3+]CCC[N@@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000414703526 389630079 /nfs/dbraw/zinc/63/00/79/389630079.db2.gz CIXUVXSYRQJSAQ-ZDUSSCGKSA-N 2 2 289.445 0.662 20 0 CCADLP [NH3+]CCC[N@H+]1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000414703526 389630085 /nfs/dbraw/zinc/63/00/85/389630085.db2.gz CIXUVXSYRQJSAQ-ZDUSSCGKSA-N 2 2 289.445 0.662 20 0 CCADLP CCOC(=O)C[C@H](C)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351607386 389630695 /nfs/dbraw/zinc/63/06/95/389630695.db2.gz WTHASYIKIQECKC-AAEUAGOBSA-N 2 2 272.389 0.715 20 0 CCADLP CCOC(=O)C[C@H](C)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351607386 389630699 /nfs/dbraw/zinc/63/06/99/389630699.db2.gz WTHASYIKIQECKC-AAEUAGOBSA-N 2 2 272.389 0.715 20 0 CCADLP CCOC(=O)C[C@H](C)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351607386 389630701 /nfs/dbraw/zinc/63/07/01/389630701.db2.gz WTHASYIKIQECKC-AAEUAGOBSA-N 2 2 272.389 0.715 20 0 CCADLP CCOC(=O)C[C@H](C)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351607386 389630708 /nfs/dbraw/zinc/63/07/08/389630708.db2.gz WTHASYIKIQECKC-AAEUAGOBSA-N 2 2 272.389 0.715 20 0 CCADLP CN(C(=O)c1ccnc(-n2cc[nH+]c2)c1)[C@H]1CC[NH2+]C1 ZINC000179118307 389639529 /nfs/dbraw/zinc/63/95/29/389639529.db2.gz NRNLBJIGMGGKAM-LBPRGKRZSA-N 2 2 271.324 0.701 20 0 CCADLP C[C@H]1CC[NH2+][C@@H](C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000423389200 389577931 /nfs/dbraw/zinc/57/79/31/389577931.db2.gz OCCHBVWNRNAASG-QWHCGFSZSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@H]1CC[NH2+][C@@H](C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000423389200 389577933 /nfs/dbraw/zinc/57/79/33/389577933.db2.gz OCCHBVWNRNAASG-QWHCGFSZSA-N 2 2 283.416 0.602 20 0 CCADLP CC1(C)CCC[NH2+][C@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000423387429 389578026 /nfs/dbraw/zinc/57/80/26/389578026.db2.gz SEOGGRJWQSVZPE-ZDUSSCGKSA-N 2 2 297.443 0.992 20 0 CCADLP CC1(C)CCC[NH2+][C@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000423387429 389578030 /nfs/dbraw/zinc/57/80/30/389578030.db2.gz SEOGGRJWQSVZPE-ZDUSSCGKSA-N 2 2 297.443 0.992 20 0 CCADLP CC[C@H](C(=O)N1CCn2cc(C)[nH+]c2C1)[NH+](C)C ZINC000374678291 389599614 /nfs/dbraw/zinc/59/96/14/389599614.db2.gz LIGHRNBCXRZOFX-LLVKDONJSA-N 2 2 250.346 0.874 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375749486 389708060 /nfs/dbraw/zinc/70/80/60/389708060.db2.gz FTOFJQKCOMSFMD-FUNVUKJBSA-N 2 2 296.415 0.779 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375749486 389708065 /nfs/dbraw/zinc/70/80/65/389708065.db2.gz FTOFJQKCOMSFMD-FUNVUKJBSA-N 2 2 296.415 0.779 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375749486 389708068 /nfs/dbraw/zinc/70/80/68/389708068.db2.gz FTOFJQKCOMSFMD-FUNVUKJBSA-N 2 2 296.415 0.779 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375749486 389708070 /nfs/dbraw/zinc/70/80/70/389708070.db2.gz FTOFJQKCOMSFMD-FUNVUKJBSA-N 2 2 296.415 0.779 20 0 CCADLP C[N@H+](CCNS(C)(=O)=O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375766124 389709698 /nfs/dbraw/zinc/70/96/98/389709698.db2.gz ZOYFNYNUICXOBZ-FOSCPWQOSA-N 2 2 275.418 0.093 20 0 CCADLP C[N@@H+](CCNS(C)(=O)=O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375766124 389709699 /nfs/dbraw/zinc/70/96/99/389709699.db2.gz ZOYFNYNUICXOBZ-FOSCPWQOSA-N 2 2 275.418 0.093 20 0 CCADLP C[NH+](CCNS(C)(=O)=O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375766124 389709700 /nfs/dbraw/zinc/70/97/00/389709700.db2.gz ZOYFNYNUICXOBZ-FOSCPWQOSA-N 2 2 275.418 0.093 20 0 CCADLP C[NH+](CCNS(C)(=O)=O)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375766124 389709702 /nfs/dbraw/zinc/70/97/02/389709702.db2.gz ZOYFNYNUICXOBZ-FOSCPWQOSA-N 2 2 275.418 0.093 20 0 CCADLP COCCOc1cccc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)c1 ZINC000414972393 389649423 /nfs/dbraw/zinc/64/94/23/389649423.db2.gz XVTDXHHJLYJZIH-HNNXBMFYSA-N 2 2 293.411 0.705 20 0 CCADLP COc1cc(C)[nH+]c(CNC[C@@H]2C[NH2+]CCN2C)c1 ZINC000414972381 389649470 /nfs/dbraw/zinc/64/94/70/389649470.db2.gz XUJYUYRQWLYSHE-ZDUSSCGKSA-N 2 2 264.373 0.392 20 0 CCADLP CCN(C)c1ccc(C[NH2+]C[C@H]2C[NH2+]CCN2C)cn1 ZINC000414973987 389650739 /nfs/dbraw/zinc/65/07/39/389650739.db2.gz JPBBCAARIKDWSV-CQSZACIVSA-N 2 2 277.416 0.531 20 0 CCADLP Cc1nn(C(C)C)cc1C[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414973927 389650847 /nfs/dbraw/zinc/65/08/47/389650847.db2.gz JLFBXQUKMZQVMT-CQSZACIVSA-N 2 2 265.405 0.766 20 0 CCADLP COc1cc2c(cc1C[N@H+](C)C[C@@H](O)C[NH3+])OCO2 ZINC000415067912 389655615 /nfs/dbraw/zinc/65/56/15/389655615.db2.gz LPMSVZIXOIKIPX-JTQLQIEISA-N 2 2 268.313 0.175 20 0 CCADLP COc1cc2c(cc1C[N@@H+](C)C[C@@H](O)C[NH3+])OCO2 ZINC000415067912 389655617 /nfs/dbraw/zinc/65/56/17/389655617.db2.gz LPMSVZIXOIKIPX-JTQLQIEISA-N 2 2 268.313 0.175 20 0 CCADLP CNC(=O)c1cccc(CC[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000415079938 389655900 /nfs/dbraw/zinc/65/59/00/389655900.db2.gz IUPMCDFVQYIAPG-CQSZACIVSA-N 2 2 261.369 0.930 20 0 CCADLP COc1cc(C)[nH+]c(CNC[C@@H]2C[NH2+]CCO2)c1 ZINC000415097151 389658675 /nfs/dbraw/zinc/65/86/75/389658675.db2.gz RSNXGBOOYCXKKU-ZDUSSCGKSA-N 2 2 251.330 0.477 20 0 CCADLP NC(=O)[C@H](C[NH2+][C@H]1CC[NH2+]C1)Cc1ccc(F)cc1 ZINC000415112493 389660815 /nfs/dbraw/zinc/66/08/15/389660815.db2.gz SAZKBCQEXIIMLH-AAEUAGOBSA-N 2 2 265.332 0.421 20 0 CCADLP CC[C@H](C(=O)NCC[N@@H+]1CCO[C@H](CC)C1)[NH+](C)C ZINC000427734490 389682110 /nfs/dbraw/zinc/68/21/10/389682110.db2.gz MVKKQFVBNPSLLE-CHWSQXEVSA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@H](C(=O)NCC[N@H+]1CCO[C@H](CC)C1)[NH+](C)C ZINC000427734490 389682115 /nfs/dbraw/zinc/68/21/15/389682115.db2.gz MVKKQFVBNPSLLE-CHWSQXEVSA-N 2 2 271.405 0.554 20 0 CCADLP COC(=O)CN1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000428371454 389695154 /nfs/dbraw/zinc/69/51/54/389695154.db2.gz FMBBNLNHRNAVSD-UHFFFAOYSA-N 2 2 283.416 0.650 20 0 CCADLP CO[C@@H](C[N@H+](C)CC(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000379175621 389760505 /nfs/dbraw/zinc/76/05/05/389760505.db2.gz FHNXPCCLFRFGKC-HNNXBMFYSA-N 2 2 291.395 0.738 20 0 CCADLP CO[C@@H](C[N@@H+](C)CC(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000379175621 389760507 /nfs/dbraw/zinc/76/05/07/389760507.db2.gz FHNXPCCLFRFGKC-HNNXBMFYSA-N 2 2 291.395 0.738 20 0 CCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@H]1CCCCO1 ZINC000379303593 389761460 /nfs/dbraw/zinc/76/14/60/389761460.db2.gz RBWDDOGMFHNBFD-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)CC[NH2+]1 ZINC000416812354 389773059 /nfs/dbraw/zinc/77/30/59/389773059.db2.gz DVBOMRJAOOEDFY-CHWSQXEVSA-N 2 2 298.431 0.537 20 0 CCADLP CC(C)(CNC(=O)NCC1([NH3+])CCC1)[NH+]1CCOCC1 ZINC000416830256 389774859 /nfs/dbraw/zinc/77/48/59/389774859.db2.gz QZSGQYPLYADBFV-UHFFFAOYSA-N 2 2 284.404 0.278 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000416834095 389775387 /nfs/dbraw/zinc/77/53/87/389775387.db2.gz WHRIDPGWACYYDA-OLZOCXBDSA-N 2 2 298.431 0.394 20 0 CCADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCCn1cc[nH+]c1 ZINC000416850609 389776361 /nfs/dbraw/zinc/77/63/61/389776361.db2.gz KEJAARNTCQOEDK-LBPRGKRZSA-N 2 2 267.377 0.898 20 0 CCADLP CCN(CC)c1ccc(CNC(=O)NCC2C[NH2+]C2)c[nH+]1 ZINC000416991458 389787526 /nfs/dbraw/zinc/78/75/26/389787526.db2.gz QENVHUJISOXOIU-UHFFFAOYSA-N 2 2 291.399 0.946 20 0 CCADLP C[C@H](CNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000417001645 389788024 /nfs/dbraw/zinc/78/80/24/389788024.db2.gz FBMMZFMLJJLMKZ-MCIONIFRSA-N 2 2 298.431 0.476 20 0 CCADLP CC1(C(=O)N2CC[NH+](Cc3ccccn3)CC2)C[NH2+]C1 ZINC000399228161 389790016 /nfs/dbraw/zinc/79/00/16/389790016.db2.gz ZAJUGZNYIAWCRI-UHFFFAOYSA-N 2 2 274.368 0.335 20 0 CCADLP C[C@H](C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[NH+]1CCOCC1 ZINC000352326768 389791234 /nfs/dbraw/zinc/79/12/34/389791234.db2.gz NNMCMEFHOCDISK-HUUCEWRRSA-N 2 2 295.427 0.651 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)NCCCNc1cccc[nH+]1 ZINC000417071195 389793075 /nfs/dbraw/zinc/79/30/75/389793075.db2.gz GWHUUIUFMNJRLG-NSHDSACASA-N 2 2 265.361 0.920 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)CC2(CCOCC2)O1 ZINC000352365619 389797881 /nfs/dbraw/zinc/79/78/81/389797881.db2.gz UOTQEEUPGFUZFT-UKRRQHHQSA-N 2 2 298.427 0.711 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)CC2(CCOCC2)O1 ZINC000352365619 389797883 /nfs/dbraw/zinc/79/78/83/389797883.db2.gz UOTQEEUPGFUZFT-UKRRQHHQSA-N 2 2 298.427 0.711 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC2(CCOCC2)O1 ZINC000352365619 389797885 /nfs/dbraw/zinc/79/78/85/389797885.db2.gz UOTQEEUPGFUZFT-UKRRQHHQSA-N 2 2 298.427 0.711 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC2(CCOCC2)O1 ZINC000352365619 389797888 /nfs/dbraw/zinc/79/78/88/389797888.db2.gz UOTQEEUPGFUZFT-UKRRQHHQSA-N 2 2 298.427 0.711 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377197787 389745789 /nfs/dbraw/zinc/74/57/89/389745789.db2.gz NDOMDPZWMKTGFY-HIFRSBDPSA-N 3 2 296.459 0.645 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377197787 389745792 /nfs/dbraw/zinc/74/57/92/389745792.db2.gz NDOMDPZWMKTGFY-HIFRSBDPSA-N 3 2 296.459 0.645 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ncccn2)C1 ZINC000430556261 389807883 /nfs/dbraw/zinc/80/78/83/389807883.db2.gz KQIGYLKEIIUKMJ-SDDRHHMPSA-N 2 2 277.372 0.863 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ncccn2)C1 ZINC000430556261 389807884 /nfs/dbraw/zinc/80/78/84/389807884.db2.gz KQIGYLKEIIUKMJ-SDDRHHMPSA-N 2 2 277.372 0.863 20 0 CCADLP C[C@H]1CCC[N@H+](CCCS(=O)(=O)N(C)C)[C@@H]1C[NH3+] ZINC000430570332 389808684 /nfs/dbraw/zinc/80/86/84/389808684.db2.gz GFDUTYVBJSQNTL-NWDGAFQWSA-N 2 2 277.434 0.327 20 0 CCADLP C[C@H]1CCC[N@@H+](CCCS(=O)(=O)N(C)C)[C@@H]1C[NH3+] ZINC000430570332 389808687 /nfs/dbraw/zinc/80/86/87/389808687.db2.gz GFDUTYVBJSQNTL-NWDGAFQWSA-N 2 2 277.434 0.327 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000430591368 389810456 /nfs/dbraw/zinc/81/04/56/389810456.db2.gz FENGWBAMRBUXCW-ZDUSSCGKSA-N 2 2 272.393 0.431 20 0 CCADLP C[C@@](C[NH3+])([NH2+]CC(=O)NCCOc1ccccc1)C1CC1 ZINC000430588936 389810603 /nfs/dbraw/zinc/81/06/03/389810603.db2.gz BGEDDLKACWXEHX-INIZCTEOSA-N 2 2 291.395 0.899 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000430604887 389812048 /nfs/dbraw/zinc/81/20/48/389812048.db2.gz OUVASZGCAIMBQB-NSHDSACASA-N 2 2 265.401 0.962 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000430604887 389812051 /nfs/dbraw/zinc/81/20/51/389812051.db2.gz OUVASZGCAIMBQB-NSHDSACASA-N 2 2 265.401 0.962 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)NCC(F)(F)C[NH3+] ZINC000417391984 389812952 /nfs/dbraw/zinc/81/29/52/389812952.db2.gz MDPCBZVZOBSRDE-UHFFFAOYSA-N 2 2 261.276 0.085 20 0 CCADLP [NH3+]C1CC[NH+](CC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000430635466 389814609 /nfs/dbraw/zinc/81/46/09/389814609.db2.gz HBFJVBXDTXMIKW-UHFFFAOYSA-N 2 2 276.340 0.758 20 0 CCADLP C[C@@H]1CN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)[C@@H](C)C[NH2+]1 ZINC000417422871 389814636 /nfs/dbraw/zinc/81/46/36/389814636.db2.gz LNMHXHIJAOEFMW-OLZOCXBDSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1CN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)[C@@H](C)C[NH2+]1 ZINC000417422871 389814639 /nfs/dbraw/zinc/81/46/39/389814639.db2.gz LNMHXHIJAOEFMW-OLZOCXBDSA-N 2 2 298.431 0.489 20 0 CCADLP [NH3+]C1CC[NH+](CC(=O)NC(=O)NCc2cccs2)CC1 ZINC000430629920 389815145 /nfs/dbraw/zinc/81/51/45/389815145.db2.gz XJUBEKIQTRBPCM-UHFFFAOYSA-N 2 2 296.396 0.497 20 0 CCADLP C[C@@]1(C[NH3+])CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000417500248 389821623 /nfs/dbraw/zinc/82/16/23/389821623.db2.gz HDUMCFSTVMSLHU-HNNXBMFYSA-N 2 2 298.431 0.478 20 0 CCADLP C[C@@]1(C[NH3+])CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000417500248 389821625 /nfs/dbraw/zinc/82/16/25/389821625.db2.gz HDUMCFSTVMSLHU-HNNXBMFYSA-N 2 2 298.431 0.478 20 0 CCADLP C[C@@H]1CN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)[C@H](C)C[NH2+]1 ZINC000417527057 389827125 /nfs/dbraw/zinc/82/71/25/389827125.db2.gz NRWOWWIQGWRELZ-JHJVBQTASA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H]1CN(C(=O)NCC[N@H+]2CCOC[C@H]2C)[C@H](C)C[NH2+]1 ZINC000417527057 389827127 /nfs/dbraw/zinc/82/71/27/389827127.db2.gz NRWOWWIQGWRELZ-JHJVBQTASA-N 2 2 284.404 0.099 20 0 CCADLP CCOC(=O)[C@H](CC)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000441318948 389830334 /nfs/dbraw/zinc/83/03/34/389830334.db2.gz RUAGLTLAJNFUIH-ZDUSSCGKSA-N 2 2 272.389 0.717 20 0 CCADLP CCOC(=O)[C@H](CC)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000441318948 389830339 /nfs/dbraw/zinc/83/03/39/389830339.db2.gz RUAGLTLAJNFUIH-ZDUSSCGKSA-N 2 2 272.389 0.717 20 0 CCADLP CC(C)(C[NH3+])C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000430904238 389833241 /nfs/dbraw/zinc/83/32/41/389833241.db2.gz PTRQPHKTVQYNPS-UHFFFAOYSA-N 2 2 250.346 0.821 20 0 CCADLP Cn1cc(N2CCC[C@@H]([N@@H+]3CC[C@@H](C[NH3+])C3)C2=O)cn1 ZINC000430915572 389834005 /nfs/dbraw/zinc/83/40/05/389834005.db2.gz DDXOSIFEHFSYAW-WCQYABFASA-N 2 2 277.372 0.196 20 0 CCADLP Cn1cc(N2CCC[C@@H]([N@H+]3CC[C@@H](C[NH3+])C3)C2=O)cn1 ZINC000430915572 389834008 /nfs/dbraw/zinc/83/40/08/389834008.db2.gz DDXOSIFEHFSYAW-WCQYABFASA-N 2 2 277.372 0.196 20 0 CCADLP Cc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430926822 389835906 /nfs/dbraw/zinc/83/59/06/389835906.db2.gz OUOOBTRTIVKQRQ-ZDUSSCGKSA-N 2 2 261.369 0.892 20 0 CCADLP Cc1ccccc1CNC(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430926822 389835910 /nfs/dbraw/zinc/83/59/10/389835910.db2.gz OUOOBTRTIVKQRQ-ZDUSSCGKSA-N 2 2 261.369 0.892 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)NC(=O)NCC(F)(F)F)CC[C@@H]1[NH3+] ZINC000430943699 389838390 /nfs/dbraw/zinc/83/83/90/389838390.db2.gz PVZCRTKYXMHLRU-SFYZADRCSA-N 2 2 296.293 0.044 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)CC[C@@H]1[NH3+] ZINC000430943699 389838394 /nfs/dbraw/zinc/83/83/94/389838394.db2.gz PVZCRTKYXMHLRU-SFYZADRCSA-N 2 2 296.293 0.044 20 0 CCADLP CCC(CC)[C@H](C(=O)NC[C@H](C)C[NH3+])[NH+]1CCOCC1 ZINC000441605566 389839017 /nfs/dbraw/zinc/83/90/17/389839017.db2.gz TUQXTCRCXVZZHX-TZMCWYRMSA-N 2 2 285.432 0.834 20 0 CCADLP C[C@@H]1CN(C(=O)C(C)(C)C[NH3+])C[C@H]1[NH+]1CCOCC1 ZINC000431012228 389844219 /nfs/dbraw/zinc/84/42/19/389844219.db2.gz DQMLORZWWNKFOD-VXGBXAGGSA-N 2 2 269.389 0.150 20 0 CCADLP C[C@H](CC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)C1CC[NH2+]CC1 ZINC000431018212 389845176 /nfs/dbraw/zinc/84/51/76/389845176.db2.gz VKVKPZXNMURWBD-UKRRQHHQSA-N 2 2 296.459 0.374 20 0 CCADLP C[C@H](CC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)C1CC[NH2+]CC1 ZINC000431018212 389845177 /nfs/dbraw/zinc/84/51/77/389845177.db2.gz VKVKPZXNMURWBD-UKRRQHHQSA-N 2 2 296.459 0.374 20 0 CCADLP CCCC[C@H]([NH3+])C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000353699871 389855230 /nfs/dbraw/zinc/85/52/30/389855230.db2.gz GFMNAXKMQWJZCC-RDBSUJKOSA-N 2 2 283.416 0.683 20 0 CCADLP CCOCCNC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442760801 389861788 /nfs/dbraw/zinc/86/17/88/389861788.db2.gz VOLGYBZSYBDSRI-FUNVUKJBSA-N 2 2 269.389 0.354 20 0 CCADLP CCOCCNC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442760801 389861789 /nfs/dbraw/zinc/86/17/89/389861789.db2.gz VOLGYBZSYBDSRI-FUNVUKJBSA-N 2 2 269.389 0.354 20 0 CCADLP O[C@H](CN1CC[C@H]([NH+]2CCCCC2)C1)C[NH+]1CCOCC1 ZINC000313376859 285353410 /nfs/dbraw/zinc/35/34/10/285353410.db2.gz YXBJDQKENLISFY-HOTGVXAUSA-N 2 2 297.443 0.240 20 0 CCADLP CC[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435622225 389959177 /nfs/dbraw/zinc/95/91/77/389959177.db2.gz CGJQHCDVOUSTNL-CHWSQXEVSA-N 2 2 298.431 0.043 20 0 CCADLP CC[N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435622225 389959179 /nfs/dbraw/zinc/95/91/79/389959179.db2.gz CGJQHCDVOUSTNL-CHWSQXEVSA-N 2 2 298.431 0.043 20 0 CCADLP C[NH2+]C[C@@H](C)CNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000420195714 389964823 /nfs/dbraw/zinc/96/48/23/389964823.db2.gz KSLBVNLLBBTMSD-CHWSQXEVSA-N 2 2 293.415 0.953 20 0 CCADLP C[NH2+]C[C@@H](C)CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000420195714 389964825 /nfs/dbraw/zinc/96/48/25/389964825.db2.gz KSLBVNLLBBTMSD-CHWSQXEVSA-N 2 2 293.415 0.953 20 0 CCADLP C[NH2+]CCC[N@H+](C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000435880893 389965241 /nfs/dbraw/zinc/96/52/41/389965241.db2.gz RBFBARVJQDRLLF-NEPJUHHUSA-N 2 2 262.419 0.884 20 0 CCADLP C[NH2+]CCC[N@@H+](C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000435880893 389965242 /nfs/dbraw/zinc/96/52/42/389965242.db2.gz RBFBARVJQDRLLF-NEPJUHHUSA-N 2 2 262.419 0.884 20 0 CCADLP C[NH2+]CCCN1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000435881335 389965261 /nfs/dbraw/zinc/96/52/61/389965261.db2.gz UKSQPZRBDOCATP-HNNXBMFYSA-N 2 2 296.459 0.615 20 0 CCADLP Cc1cccc2[nH+]cc(CN3CC[NH+](CCO)CC3)n21 ZINC000435246373 389954489 /nfs/dbraw/zinc/95/44/89/389954489.db2.gz GVQWGIRKDUTGND-UHFFFAOYSA-N 2 2 274.368 0.753 20 0 CCADLP OC[C@H]([NH2+]Cc1cccc2[nH+]ccn21)[C@H]1CCCO1 ZINC000447969938 389975895 /nfs/dbraw/zinc/97/58/95/389975895.db2.gz APGVLTSPKZVYDK-QWHCGFSZSA-N 2 2 261.325 0.964 20 0 CCADLP C[N@H+](CCOc1cccc(S(C)(=O)=O)c1)C1CC([NH3+])C1 ZINC000420344385 389986944 /nfs/dbraw/zinc/98/69/44/389986944.db2.gz YAZYPHYTCQVYAX-UHFFFAOYSA-N 2 2 298.408 0.890 20 0 CCADLP C[N@@H+](CCOc1cccc(S(C)(=O)=O)c1)C1CC([NH3+])C1 ZINC000420344385 389986946 /nfs/dbraw/zinc/98/69/46/389986946.db2.gz YAZYPHYTCQVYAX-UHFFFAOYSA-N 2 2 298.408 0.890 20 0 CCADLP C[C@H]1CC[N@H+](CCCS(=O)(=O)N(C)C)[C@H](C[NH3+])C1 ZINC000420347189 389987455 /nfs/dbraw/zinc/98/74/55/389987455.db2.gz XXDTVUNXQLPLLM-RYUDHWBXSA-N 2 2 277.434 0.327 20 0 CCADLP C[C@H]1CC[N@@H+](CCCS(=O)(=O)N(C)C)[C@H](C[NH3+])C1 ZINC000420347189 389987457 /nfs/dbraw/zinc/98/74/57/389987457.db2.gz XXDTVUNXQLPLLM-RYUDHWBXSA-N 2 2 277.434 0.327 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH3+])[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000420350217 389988471 /nfs/dbraw/zinc/98/84/71/389988471.db2.gz GBEUUMHSLUZLTR-STQMWFEESA-N 2 2 297.786 0.697 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH3+])[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000420350217 389988475 /nfs/dbraw/zinc/98/84/75/389988475.db2.gz GBEUUMHSLUZLTR-STQMWFEESA-N 2 2 297.786 0.697 20 0 CCADLP Cc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@H](O)C[NH3+])cc1C ZINC000420351489 389989279 /nfs/dbraw/zinc/98/92/79/389989279.db2.gz KGUXKMLOYYRMHI-GXTWGEPZSA-N 2 2 279.384 0.882 20 0 CCADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@H](O)C[NH3+])cc1C ZINC000420351489 389989282 /nfs/dbraw/zinc/98/92/82/389989282.db2.gz KGUXKMLOYYRMHI-GXTWGEPZSA-N 2 2 279.384 0.882 20 0 CCADLP C[C@H]1C(=O)NCCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420352461 389989752 /nfs/dbraw/zinc/98/97/52/389989752.db2.gz AQFOSHAHNSRSMY-QEJZJMRPSA-N 2 2 291.395 0.128 20 0 CCADLP C[C@H]1C(=O)NCCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420352461 389989755 /nfs/dbraw/zinc/98/97/55/389989755.db2.gz AQFOSHAHNSRSMY-QEJZJMRPSA-N 2 2 291.395 0.128 20 0 CCADLP CSc1ccccc1NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420354502 389990017 /nfs/dbraw/zinc/99/00/17/389990017.db2.gz OLQQJKVLNUWZFX-GHMZBOCLSA-N 2 2 297.424 0.987 20 0 CCADLP CSc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420354502 389990018 /nfs/dbraw/zinc/99/00/18/389990018.db2.gz OLQQJKVLNUWZFX-GHMZBOCLSA-N 2 2 297.424 0.987 20 0 CCADLP Cc1ccc(CNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000420354578 389990385 /nfs/dbraw/zinc/99/03/85/389990385.db2.gz OTSVNHOIHZCGMB-TZMCWYRMSA-N 2 2 279.384 0.251 20 0 CCADLP Cc1ccc(CNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000420354578 389990388 /nfs/dbraw/zinc/99/03/88/389990388.db2.gz OTSVNHOIHZCGMB-TZMCWYRMSA-N 2 2 279.384 0.251 20 0 CCADLP Cc1ccccc1CCNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420359843 389991510 /nfs/dbraw/zinc/99/15/10/389991510.db2.gz WFAVVFHHJXGMJI-ZFWWWQNUSA-N 2 2 293.411 0.294 20 0 CCADLP Cc1ccccc1CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420359843 389991512 /nfs/dbraw/zinc/99/15/12/389991512.db2.gz WFAVVFHHJXGMJI-ZFWWWQNUSA-N 2 2 293.411 0.294 20 0 CCADLP Cc1ccc([C@H](C)NC(=O)C[N@H+](C)C[C@@H](O)C[NH3+])cc1C ZINC000420362004 389991803 /nfs/dbraw/zinc/99/18/03/389991803.db2.gz YTLJGYDGTGDJAT-ZFWWWQNUSA-N 2 2 293.411 0.732 20 0 CCADLP Cc1ccc([C@H](C)NC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])cc1C ZINC000420362004 389991805 /nfs/dbraw/zinc/99/18/05/389991805.db2.gz YTLJGYDGTGDJAT-ZFWWWQNUSA-N 2 2 293.411 0.732 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)[C@@H](C)O1 ZINC000449120004 389992649 /nfs/dbraw/zinc/99/26/49/389992649.db2.gz BQGHBHOLWFTQPU-NDBYEHHHSA-N 2 2 269.389 0.482 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)[C@@H](C)O1 ZINC000449120004 389992652 /nfs/dbraw/zinc/99/26/52/389992652.db2.gz BQGHBHOLWFTQPU-NDBYEHHHSA-N 2 2 269.389 0.482 20 0 CCADLP CCCCOCCNC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420368585 389993124 /nfs/dbraw/zinc/99/31/24/389993124.db2.gz NRHDULOUIOAXPM-UMVBOHGHSA-N 2 2 285.432 0.895 20 0 CCADLP C[NH2+]CCC[N@H+](C)CC(=O)NCc1ccc(OC)cc1 ZINC000420389099 389995743 /nfs/dbraw/zinc/99/57/43/389995743.db2.gz NKZQNVPJJLCORA-UHFFFAOYSA-N 2 2 279.384 0.853 20 0 CCADLP C[NH2+]CCC[N@@H+](C)CC(=O)NCc1ccc(OC)cc1 ZINC000420389099 389995744 /nfs/dbraw/zinc/99/57/44/389995744.db2.gz NKZQNVPJJLCORA-UHFFFAOYSA-N 2 2 279.384 0.853 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)n(C)n1 ZINC000420405429 389997529 /nfs/dbraw/zinc/99/75/29/389997529.db2.gz MVSDJIKWUPNVSG-JQWIXIFHSA-N 2 2 279.388 0.584 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)n(C)n1 ZINC000420405429 389997532 /nfs/dbraw/zinc/99/75/32/389997532.db2.gz MVSDJIKWUPNVSG-JQWIXIFHSA-N 2 2 279.388 0.584 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@](C)(CO)c1cccc(O)c1)C1CC1 ZINC000451036520 389999570 /nfs/dbraw/zinc/99/95/70/389999570.db2.gz FRWKQKAXUITIEM-JKSUJKDBSA-N 2 2 294.395 0.644 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@](C)(CO)c1cccc(O)c1)C1CC1 ZINC000451036520 389999571 /nfs/dbraw/zinc/99/95/71/389999571.db2.gz FRWKQKAXUITIEM-JKSUJKDBSA-N 2 2 294.395 0.644 20 0 CCADLP C[C@@H](CNC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)[NH+](C)C ZINC000455002709 390012223 /nfs/dbraw/zinc/01/22/23/390012223.db2.gz YQCRSYCTRUHKMO-WCQYABFASA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H](CNC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)[NH+](C)C ZINC000455002709 390012225 /nfs/dbraw/zinc/01/22/25/390012225.db2.gz YQCRSYCTRUHKMO-WCQYABFASA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H](CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)[NH+](C)C ZINC000455426125 390012549 /nfs/dbraw/zinc/01/25/49/390012549.db2.gz FMJVHKOHHQLIBR-HZSPNIEDSA-N 2 2 298.431 0.441 20 0 CCADLP Cc1nc(N(C)C)nc(NC2CCC([NH+](C)C)CC2)[nH+]1 ZINC000420627537 390018131 /nfs/dbraw/zinc/01/81/31/390018131.db2.gz NJTIMTVNCGMEJU-UHFFFAOYSA-N 2 2 278.404 0.953 20 0 CCADLP Cc1nc(NC2CCC([NH+](C)C)CC2)nc(N(C)C)[nH+]1 ZINC000420627537 390018133 /nfs/dbraw/zinc/01/81/33/390018133.db2.gz NJTIMTVNCGMEJU-UHFFFAOYSA-N 2 2 278.404 0.953 20 0 CCADLP C[N@@H+]1CCN(C(=O)/C=C\c2cccc(F)c2)[C@@H](C[NH3+])C1 ZINC000493050550 390118853 /nfs/dbraw/zinc/11/88/53/390118853.db2.gz NWCYHBAUEHLWJE-GXMNPTEKSA-N 2 2 277.343 0.940 20 0 CCADLP C[N@H+]1CCN(C(=O)/C=C\c2cccc(F)c2)[C@@H](C[NH3+])C1 ZINC000493050550 390118854 /nfs/dbraw/zinc/11/88/54/390118854.db2.gz NWCYHBAUEHLWJE-GXMNPTEKSA-N 2 2 277.343 0.940 20 0 CCADLP COCC[N@@H+]1CCCN(c2nc(C)[nH+]c(N(C)C)n2)CC1 ZINC000488364698 390093338 /nfs/dbraw/zinc/09/33/38/390093338.db2.gz IFQLZCXUNPTIKA-UHFFFAOYSA-N 2 2 294.403 0.405 20 0 CCADLP COCC[N@H+]1CCCN(c2nc(C)[nH+]c(N(C)C)n2)CC1 ZINC000488364698 390093339 /nfs/dbraw/zinc/09/33/39/390093339.db2.gz IFQLZCXUNPTIKA-UHFFFAOYSA-N 2 2 294.403 0.405 20 0 CCADLP CC[NH+](CC)[C@H](C)CNC(=O)NCCc1cn(C)c[nH+]1 ZINC000457706562 390048463 /nfs/dbraw/zinc/04/84/63/390048463.db2.gz JNIFWSUNQPSECX-GFCCVEGCSA-N 2 2 281.404 0.992 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NCCc2cn(C)c[nH+]2)CCC[N@@H+]1C ZINC000458671404 390061467 /nfs/dbraw/zinc/06/14/67/390061467.db2.gz WWQRIPBPNJADGH-YPMHNXCESA-N 2 2 279.388 0.745 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NCCc2cn(C)c[nH+]2)CCC[N@H+]1C ZINC000458671404 390061468 /nfs/dbraw/zinc/06/14/68/390061468.db2.gz WWQRIPBPNJADGH-YPMHNXCESA-N 2 2 279.388 0.745 20 0 CCADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493813560 390127856 /nfs/dbraw/zinc/12/78/56/390127856.db2.gz CYPMDFUDBADUNT-BLDJZWNYSA-N 2 2 278.356 0.336 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493813560 390127857 /nfs/dbraw/zinc/12/78/57/390127857.db2.gz CYPMDFUDBADUNT-BLDJZWNYSA-N 2 2 278.356 0.336 20 0 CCADLP C[C@@H](C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)[C@H](C)[NH3+] ZINC000644150406 390148254 /nfs/dbraw/zinc/14/82/54/390148254.db2.gz WNYLYIUCIVGEDS-WOPDTQHZSA-N 2 2 262.357 0.760 20 0 CCADLP C[N@H+](CCC[NH3+])CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000647848095 390191488 /nfs/dbraw/zinc/19/14/88/390191488.db2.gz DEOHAWPENJPTPP-OLZOCXBDSA-N 2 2 269.389 0.437 20 0 CCADLP C[N@@H+](CCC[NH3+])CC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000647848095 390191490 /nfs/dbraw/zinc/19/14/90/390191490.db2.gz DEOHAWPENJPTPP-OLZOCXBDSA-N 2 2 269.389 0.437 20 0 CCADLP CC[C@H]1C[N@H+](C[C@@](C)(O)C[NH2+]C)CCN1CC(F)F ZINC000579248086 390157988 /nfs/dbraw/zinc/15/79/88/390157988.db2.gz MLCVFQXJKVDDSJ-AAEUAGOBSA-N 2 2 279.375 0.618 20 0 CCADLP CC[C@H]1C[N@@H+](C[C@@](C)(O)C[NH2+]C)CCN1CC(F)F ZINC000579248086 390157990 /nfs/dbraw/zinc/15/79/90/390157990.db2.gz MLCVFQXJKVDDSJ-AAEUAGOBSA-N 2 2 279.375 0.618 20 0 CCADLP Cc1nc(N2CC[C@@H]([NH+](C)C)[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000647843850 390189968 /nfs/dbraw/zinc/18/99/68/390189968.db2.gz IIBQWGFLXVVOSF-GXSJLCMTSA-N 2 2 264.377 0.775 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CCO1 ZINC000579412968 390171040 /nfs/dbraw/zinc/17/10/40/390171040.db2.gz DWHFXCSTDXXTRH-IHRRRGAJSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CCO1 ZINC000579412968 390171042 /nfs/dbraw/zinc/17/10/42/390171042.db2.gz DWHFXCSTDXXTRH-IHRRRGAJSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCO1 ZINC000579412968 390171046 /nfs/dbraw/zinc/17/10/46/390171046.db2.gz DWHFXCSTDXXTRH-IHRRRGAJSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCO1 ZINC000579412968 390171050 /nfs/dbraw/zinc/17/10/50/390171050.db2.gz DWHFXCSTDXXTRH-IHRRRGAJSA-N 2 2 283.416 0.554 20 0 CCADLP O=C(c1ccccc1O)N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647880378 390205206 /nfs/dbraw/zinc/20/52/06/390205206.db2.gz QGEHDQSECPOKKN-CYBMUJFWSA-N 2 2 289.379 0.760 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccon3)C[C@H]21 ZINC000647907918 390213958 /nfs/dbraw/zinc/21/39/58/390213958.db2.gz QUOZUKZGXRMYNR-GMTAPVOTSA-N 2 2 264.329 0.094 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccon3)C[C@H]21 ZINC000647907918 390213962 /nfs/dbraw/zinc/21/39/62/390213962.db2.gz QUOZUKZGXRMYNR-GMTAPVOTSA-N 2 2 264.329 0.094 20 0 CCADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ncc[nH]1 ZINC000647930051 390220280 /nfs/dbraw/zinc/22/02/80/390220280.db2.gz MYRDIQDMFOQRNT-UHFFFAOYSA-N 2 2 265.361 0.006 20 0 CCADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ncc[nH]1 ZINC000647930051 390220284 /nfs/dbraw/zinc/22/02/84/390220284.db2.gz MYRDIQDMFOQRNT-UHFFFAOYSA-N 2 2 265.361 0.006 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH2+][C@H](c3ccncc3)C2)C1 ZINC000580093408 390220716 /nfs/dbraw/zinc/22/07/16/390220716.db2.gz FTQPCQJDVVNTQH-HIFRSBDPSA-N 2 2 288.395 0.896 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH2+][C@H](c3ccncc3)C2)C1 ZINC000580093408 390220719 /nfs/dbraw/zinc/22/07/19/390220719.db2.gz FTQPCQJDVVNTQH-HIFRSBDPSA-N 2 2 288.395 0.896 20 0 CCADLP CC[C@H]1C[N@H+](CC(=O)NCC2CCC2)CC[C@H]1[NH3+] ZINC000647937257 390222877 /nfs/dbraw/zinc/22/28/77/390222877.db2.gz UOUQTOWAHJCFIW-QWHCGFSZSA-N 2 2 253.390 0.962 20 0 CCADLP CC[C@H]1C[N@@H+](CC(=O)NCC2CCC2)CC[C@H]1[NH3+] ZINC000647937257 390222880 /nfs/dbraw/zinc/22/28/80/390222880.db2.gz UOUQTOWAHJCFIW-QWHCGFSZSA-N 2 2 253.390 0.962 20 0 CCADLP CCc1noc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])n1 ZINC000647942377 390224040 /nfs/dbraw/zinc/22/40/40/390224040.db2.gz JHGQSDFMGQKKPW-LLVKDONJSA-N 2 2 295.387 0.452 20 0 CCADLP CCc1noc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])n1 ZINC000647942377 390224042 /nfs/dbraw/zinc/22/40/42/390224042.db2.gz JHGQSDFMGQKKPW-LLVKDONJSA-N 2 2 295.387 0.452 20 0 CCADLP CC[NH+]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000540883402 390225766 /nfs/dbraw/zinc/22/57/66/390225766.db2.gz SPAGPJSFFKQORN-UHFFFAOYSA-N 2 2 276.384 0.926 20 0 CCADLP Cc1ccsc1CNC(=O)C[N@H+](C)CCC[NH3+] ZINC000647848183 390191698 /nfs/dbraw/zinc/19/16/98/390191698.db2.gz JJZKWURXXAGTNO-UHFFFAOYSA-N 2 2 255.387 0.953 20 0 CCADLP Cc1ccsc1CNC(=O)C[N@@H+](C)CCC[NH3+] ZINC000647848183 390191702 /nfs/dbraw/zinc/19/17/02/390191702.db2.gz JJZKWURXXAGTNO-UHFFFAOYSA-N 2 2 255.387 0.953 20 0 CCADLP COc1cccc(CN(C)C(=O)C[N@H+](C)CCC[NH3+])c1 ZINC000647849616 390192952 /nfs/dbraw/zinc/19/29/52/390192952.db2.gz ZZPSBOOAZAIZKJ-UHFFFAOYSA-N 2 2 279.384 0.934 20 0 CCADLP COc1cccc(CN(C)C(=O)C[N@@H+](C)CCC[NH3+])c1 ZINC000647849616 390192955 /nfs/dbraw/zinc/19/29/55/390192955.db2.gz ZZPSBOOAZAIZKJ-UHFFFAOYSA-N 2 2 279.384 0.934 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCOC[C@@H]2CCCO2)n1C ZINC000579686459 390196463 /nfs/dbraw/zinc/19/64/63/390196463.db2.gz IWSVHYQHVNJHEQ-ZDUSSCGKSA-N 2 2 282.388 0.771 20 0 CCADLP C[C@@H]([NH3+])[C@H]1C[N@H+](CCC(=O)NC2CCCC2)CCO1 ZINC000647863436 390196634 /nfs/dbraw/zinc/19/66/34/390196634.db2.gz BRIGNPUHSPAZMV-DGCLKSJQSA-N 2 2 269.389 0.483 20 0 CCADLP C[C@@H]([NH3+])[C@H]1C[N@@H+](CCC(=O)NC2CCCC2)CCO1 ZINC000647863436 390196638 /nfs/dbraw/zinc/19/66/38/390196638.db2.gz BRIGNPUHSPAZMV-DGCLKSJQSA-N 2 2 269.389 0.483 20 0 CCADLP CCOC[C@@H](O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000580325035 390238510 /nfs/dbraw/zinc/23/85/10/390238510.db2.gz JQWQSWLEDBESIL-RYUDHWBXSA-N 2 2 253.346 0.607 20 0 CCADLP CCOC[C@@H](O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000580325035 390238513 /nfs/dbraw/zinc/23/85/13/390238513.db2.gz JQWQSWLEDBESIL-RYUDHWBXSA-N 2 2 253.346 0.607 20 0 CCADLP CCc1noc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)n1 ZINC000647985823 390238713 /nfs/dbraw/zinc/23/87/13/390238713.db2.gz DMSACLNUPYVGRH-LLVKDONJSA-N 2 2 280.372 0.819 20 0 CCADLP CCc1noc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)n1 ZINC000647985823 390238718 /nfs/dbraw/zinc/23/87/18/390238718.db2.gz DMSACLNUPYVGRH-LLVKDONJSA-N 2 2 280.372 0.819 20 0 CCADLP CCO[C@@H](CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C(C)C ZINC000580324112 390238690 /nfs/dbraw/zinc/23/86/90/390238690.db2.gz ZXYICPPJLSVEJJ-OLZOCXBDSA-N 2 2 271.405 0.539 20 0 CCADLP CCO[C@@H](CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C(C)C ZINC000580324112 390238692 /nfs/dbraw/zinc/23/86/92/390238692.db2.gz ZXYICPPJLSVEJJ-OLZOCXBDSA-N 2 2 271.405 0.539 20 0 CCADLP C[N@@H+]1CCN(CCNC(=O)Cn2cc[nH+]c2)CC1(C)C ZINC000281677705 195333350 /nfs/dbraw/zinc/33/33/50/195333350.db2.gz DWDFVBICSGFGTH-UHFFFAOYSA-N 2 2 279.388 0.025 20 0 CCADLP C[N@H+]1CCN(CCNC(=O)Cn2cc[nH+]c2)CC1(C)C ZINC000281677705 195333352 /nfs/dbraw/zinc/33/33/52/195333352.db2.gz DWDFVBICSGFGTH-UHFFFAOYSA-N 2 2 279.388 0.025 20 0 CCADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@H](O)CC(F)(F)F ZINC000580327295 390239339 /nfs/dbraw/zinc/23/93/39/390239339.db2.gz FXZWIZQICWIORF-GHMZBOCLSA-N 2 2 284.322 0.736 20 0 CCADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@H](O)CC(F)(F)F ZINC000580327295 390239340 /nfs/dbraw/zinc/23/93/40/390239340.db2.gz FXZWIZQICWIORF-GHMZBOCLSA-N 2 2 284.322 0.736 20 0 CCADLP COCC[N@H+](C)CCC[NH2+]C[C@H](O)C(F)(F)F ZINC000644520783 390243296 /nfs/dbraw/zinc/24/32/96/390243296.db2.gz DHTMZOPUPSXJEB-VIFPVBQESA-N 2 2 258.284 0.468 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+]C[C@H](O)C(F)(F)F ZINC000644520783 390243297 /nfs/dbraw/zinc/24/32/97/390243297.db2.gz DHTMZOPUPSXJEB-VIFPVBQESA-N 2 2 258.284 0.468 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC000580231201 390232136 /nfs/dbraw/zinc/23/21/36/390232136.db2.gz ZQUUPEKKGWWIEG-LBPRGKRZSA-N 2 2 264.373 0.809 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC000580231201 390232137 /nfs/dbraw/zinc/23/21/37/390232137.db2.gz ZQUUPEKKGWWIEG-LBPRGKRZSA-N 2 2 264.373 0.809 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000644547665 390250181 /nfs/dbraw/zinc/25/01/81/390250181.db2.gz GBFFGGZSKVWFTP-RWMBFGLXSA-N 2 2 260.378 0.083 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000644547665 390250184 /nfs/dbraw/zinc/25/01/84/390250184.db2.gz GBFFGGZSKVWFTP-RWMBFGLXSA-N 2 2 260.378 0.083 20 0 CCADLP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)C(=O)N(C)C ZINC000644562704 390253657 /nfs/dbraw/zinc/25/36/57/390253657.db2.gz JZKZODKMKQIKLM-HIFRSBDPSA-N 2 2 293.411 0.546 20 0 CCADLP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)C(=O)N(C)C ZINC000644562704 390253659 /nfs/dbraw/zinc/25/36/59/390253659.db2.gz JZKZODKMKQIKLM-HIFRSBDPSA-N 2 2 293.411 0.546 20 0 CCADLP OCC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000648039252 390259532 /nfs/dbraw/zinc/25/95/32/390259532.db2.gz AUKOSTODXXVHIM-KGLIPLIRSA-N 2 2 293.415 0.361 20 0 CCADLP OCC[N@H+]1CCCC[C@H]1C[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000648039252 390259535 /nfs/dbraw/zinc/25/95/35/390259535.db2.gz AUKOSTODXXVHIM-KGLIPLIRSA-N 2 2 293.415 0.361 20 0 CCADLP C[NH+](C)CC(C)(C)[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000648042144 390261389 /nfs/dbraw/zinc/26/13/89/390261389.db2.gz QWYDRYNWOWZXFK-LLVKDONJSA-N 2 2 251.378 0.855 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000582192559 390269306 /nfs/dbraw/zinc/26/93/06/390269306.db2.gz MPPQDYQMQZEAMA-SECBINFHSA-N 2 2 273.287 0.548 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000582192559 390269310 /nfs/dbraw/zinc/26/93/10/390269310.db2.gz MPPQDYQMQZEAMA-SECBINFHSA-N 2 2 273.287 0.548 20 0 CCADLP CCOCC[C@H](O)C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000583631152 390301640 /nfs/dbraw/zinc/30/16/40/390301640.db2.gz LEDGXLBAFZFGOK-KGLIPLIRSA-N 2 2 274.405 0.210 20 0 CCADLP CCOCC[C@H](O)C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000583631152 390301642 /nfs/dbraw/zinc/30/16/42/390301642.db2.gz LEDGXLBAFZFGOK-KGLIPLIRSA-N 2 2 274.405 0.210 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000583786264 390310886 /nfs/dbraw/zinc/31/08/86/390310886.db2.gz ANSAALLOIKPJNV-UHFFFAOYSA-N 2 2 289.339 0.934 20 0 CCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648158735 390318876 /nfs/dbraw/zinc/31/88/76/390318876.db2.gz YNZMOIWIAQHRGA-CIQGVGRVSA-N 2 2 272.352 0.242 20 0 CCADLP C[C@H](CCCC[NH3+])NC(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000583935315 390325909 /nfs/dbraw/zinc/32/59/09/390325909.db2.gz GMSQJRGAIAJPQJ-CHWSQXEVSA-N 2 2 270.421 0.256 20 0 CCADLP C[N@@H+]1CC[C@@](O)(CNc2nc(C3CC3)[nH+]c3c2CCC3)C1 ZINC000545873613 390332501 /nfs/dbraw/zinc/33/25/01/390332501.db2.gz DVSMKFUFIVFISJ-MRXNPFEDSA-N 2 2 288.395 0.743 20 0 CCADLP C[N@H+]1CC[C@@](O)(CNc2nc(C3CC3)[nH+]c3c2CCC3)C1 ZINC000545873613 390332505 /nfs/dbraw/zinc/33/25/05/390332505.db2.gz DVSMKFUFIVFISJ-MRXNPFEDSA-N 2 2 288.395 0.743 20 0 CCADLP CN1C(=O)C[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)c2ccccc21 ZINC000545867049 390332760 /nfs/dbraw/zinc/33/27/60/390332760.db2.gz LMVYCQDCPDMTCO-BBRMVZONSA-N 2 2 289.379 0.750 20 0 CCADLP CN1C(=O)C[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c2ccccc21 ZINC000545867049 390332763 /nfs/dbraw/zinc/33/27/63/390332763.db2.gz LMVYCQDCPDMTCO-BBRMVZONSA-N 2 2 289.379 0.750 20 0 CCADLP CC(C)[NH2+]C1CC[NH+](C[C@H]2CN(C)C(=O)O2)CC1 ZINC000496331659 390342603 /nfs/dbraw/zinc/34/26/03/390342603.db2.gz RTOYROFIZCBDNE-GFCCVEGCSA-N 2 2 255.362 0.899 20 0 CCADLP C[C@@H]1CCCC[C@@H]1OCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000584468845 390346839 /nfs/dbraw/zinc/34/68/39/390346839.db2.gz VFDBWUWKYKIQGW-RDBSUJKOSA-N 2 2 283.416 0.683 20 0 CCADLP C[C@@H]1CCCC[C@@H]1OCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000584468845 390346843 /nfs/dbraw/zinc/34/68/43/390346843.db2.gz VFDBWUWKYKIQGW-RDBSUJKOSA-N 2 2 283.416 0.683 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCOC3)C2)CC1 ZINC000644935796 390349320 /nfs/dbraw/zinc/34/93/20/390349320.db2.gz DOUHGCCUPOCKIG-QWHCGFSZSA-N 2 2 296.415 0.243 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCOC3)C2)CC1 ZINC000644935796 390349321 /nfs/dbraw/zinc/34/93/21/390349321.db2.gz DOUHGCCUPOCKIG-QWHCGFSZSA-N 2 2 296.415 0.243 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)C1 ZINC000554579895 390434653 /nfs/dbraw/zinc/43/46/53/390434653.db2.gz QHLSAEZIRHSNDB-ZIAGYGMSSA-N 2 2 274.368 0.506 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)C1 ZINC000554579895 390434656 /nfs/dbraw/zinc/43/46/56/390434656.db2.gz QHLSAEZIRHSNDB-ZIAGYGMSSA-N 2 2 274.368 0.506 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000645492711 390437510 /nfs/dbraw/zinc/43/75/10/390437510.db2.gz WLFNWYDDZXPDDF-NSHDSACASA-N 2 2 262.357 0.762 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)Nc1nc(N)[nH+]c2c1CCCC2 ZINC000645119175 390374477 /nfs/dbraw/zinc/37/44/77/390374477.db2.gz GRSPVSBNUUOJNR-JTQLQIEISA-N 2 2 272.356 0.887 20 0 CCADLP C[C@@H]1C[N@H+](CCO)CCN1c1nc(N)[nH+]c2c1CCCC2 ZINC000645255909 390397537 /nfs/dbraw/zinc/39/75/37/390397537.db2.gz YZYDNEDGHFUSJN-LLVKDONJSA-N 2 2 291.399 0.271 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)CCN1c1nc(N)[nH+]c2c1CCCC2 ZINC000645255909 390397539 /nfs/dbraw/zinc/39/75/39/390397539.db2.gz YZYDNEDGHFUSJN-LLVKDONJSA-N 2 2 291.399 0.271 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)[C@@H](C[NH3+])C1 ZINC000565411545 390510298 /nfs/dbraw/zinc/51/02/98/390510298.db2.gz UVGQNBRNWDCPEH-RVMXOQNASA-N 2 2 296.415 0.084 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)[C@@H](C[NH3+])C1 ZINC000565411545 390510302 /nfs/dbraw/zinc/51/03/02/390510302.db2.gz UVGQNBRNWDCPEH-RVMXOQNASA-N 2 2 296.415 0.084 20 0 CCADLP Cc1noc([C@H](C)[N@H+](C)CCC(=O)N2CC[NH+](C)CC2)n1 ZINC000565430178 390513343 /nfs/dbraw/zinc/51/33/43/390513343.db2.gz KZJDOVDKDQZRFJ-NSHDSACASA-N 2 2 295.387 0.535 20 0 CCADLP Cc1noc([C@H](C)[N@@H+](C)CCC(=O)N2CC[NH+](C)CC2)n1 ZINC000565430178 390513348 /nfs/dbraw/zinc/51/33/48/390513348.db2.gz KZJDOVDKDQZRFJ-NSHDSACASA-N 2 2 295.387 0.535 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H](CO)Cc1ccco1 ZINC000643450991 390447352 /nfs/dbraw/zinc/44/73/52/390447352.db2.gz PQKJBNNDCANUAQ-RDBSUJKOSA-N 2 2 282.384 0.787 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC(=O)NC1CCCC1 ZINC000643469749 390450723 /nfs/dbraw/zinc/45/07/23/390450723.db2.gz JNHZDJZKLHYSPI-WCQYABFASA-N 2 2 269.389 0.402 20 0 CCADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000643472296 390451695 /nfs/dbraw/zinc/45/16/95/390451695.db2.gz UEVZGOGPZBBUKR-CABCVRRESA-N 3 2 296.459 0.661 20 0 CCADLP CNS(=O)(=O)[C@H]1CC[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000555334964 390452826 /nfs/dbraw/zinc/45/28/26/390452826.db2.gz DAGZFKKWEDYGMF-AWEZNQCLSA-N 2 2 297.424 0.946 20 0 CCADLP CNS(=O)(=O)[C@H]1CC[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000555334964 390452829 /nfs/dbraw/zinc/45/28/29/390452829.db2.gz DAGZFKKWEDYGMF-AWEZNQCLSA-N 2 2 297.424 0.946 20 0 CCADLP CC[N@H+](C)C[C@@H](O)CN1CC[NH+](Cc2cc(C)no2)CC1 ZINC000555878897 390467094 /nfs/dbraw/zinc/46/70/94/390467094.db2.gz QFMYMISUQQXMPY-CQSZACIVSA-N 2 2 296.415 0.413 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+](Cc2cc(C)no2)CC1 ZINC000555878897 390467100 /nfs/dbraw/zinc/46/71/00/390467100.db2.gz QFMYMISUQQXMPY-CQSZACIVSA-N 2 2 296.415 0.413 20 0 CCADLP CC[N@H+](C)C[C@H](O)CN1CC[NH+](Cc2cc(C)no2)CC1 ZINC000555878896 390467213 /nfs/dbraw/zinc/46/72/13/390467213.db2.gz QFMYMISUQQXMPY-AWEZNQCLSA-N 2 2 296.415 0.413 20 0 CCADLP CC[N@@H+](C)C[C@H](O)CN1CC[NH+](Cc2cc(C)no2)CC1 ZINC000555878896 390467219 /nfs/dbraw/zinc/46/72/19/390467219.db2.gz QFMYMISUQQXMPY-AWEZNQCLSA-N 2 2 296.415 0.413 20 0 CCADLP O=S1(=O)CCC(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)CC1 ZINC000556071708 390472690 /nfs/dbraw/zinc/47/26/90/390472690.db2.gz XKVBXKMSPYFQDX-UHFFFAOYSA-N 2 2 298.412 0.357 20 0 CCADLP O=C(NCc1c[nH+]c[nH]1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000646046129 390584538 /nfs/dbraw/zinc/58/45/38/390584538.db2.gz UEFQAJHKSRIACE-OAHLLOKOSA-N 2 2 270.336 0.957 20 0 CCADLP O=C(NCc1c[nH]c[nH+]1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000646046129 390584542 /nfs/dbraw/zinc/58/45/42/390584542.db2.gz UEFQAJHKSRIACE-OAHLLOKOSA-N 2 2 270.336 0.957 20 0 CCADLP CCC[C@@]1(CO)CCC[N@@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000520604358 390585089 /nfs/dbraw/zinc/58/50/89/390585089.db2.gz QISOLMOQILBOEJ-CABCVRRESA-N 2 2 288.432 0.553 20 0 CCADLP CCC[C@@]1(CO)CCC[N@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000520604358 390585093 /nfs/dbraw/zinc/58/50/93/390585093.db2.gz QISOLMOQILBOEJ-CABCVRRESA-N 2 2 288.432 0.553 20 0 CCADLP CCC[C@@]1(CO)CCC[NH+]1C[C@H](O)C[N@H+](C)CCOC ZINC000520604358 390585097 /nfs/dbraw/zinc/58/50/97/390585097.db2.gz QISOLMOQILBOEJ-CABCVRRESA-N 2 2 288.432 0.553 20 0 CCADLP CCC[C@@]1(CO)CCC[NH+]1C[C@H](O)C[N@@H+](C)CCOC ZINC000520604358 390585099 /nfs/dbraw/zinc/58/50/99/390585099.db2.gz QISOLMOQILBOEJ-CABCVRRESA-N 2 2 288.432 0.553 20 0 CCADLP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](n2cc(C(N)=O)nn2)C1 ZINC000643861652 390586103 /nfs/dbraw/zinc/58/61/03/390586103.db2.gz BZOFRQSFSFLSMN-GFCCVEGCSA-N 2 2 294.403 0.356 20 0 CCADLP CC[NH+](CC)CCC[N@H+]1CC[C@@H](n2cc(C(N)=O)nn2)C1 ZINC000643861652 390586104 /nfs/dbraw/zinc/58/61/04/390586104.db2.gz BZOFRQSFSFLSMN-GFCCVEGCSA-N 2 2 294.403 0.356 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH+](C)C ZINC000649209180 390523478 /nfs/dbraw/zinc/52/34/78/390523478.db2.gz FNLQAHXIZMUAPY-MNOVXSKESA-N 2 2 250.346 0.512 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@@H]1C ZINC000649215414 390524809 /nfs/dbraw/zinc/52/48/09/390524809.db2.gz OAAUMHRRKOPXAH-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@@H]1C ZINC000649215414 390524813 /nfs/dbraw/zinc/52/48/13/390524813.db2.gz OAAUMHRRKOPXAH-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP O=C(NCc1ccn2cc[nH+]c2c1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649336109 390592657 /nfs/dbraw/zinc/59/26/57/390592657.db2.gz CSBDSBLNQXAIDT-PJXYFTJBSA-N 2 2 256.309 0.416 20 0 CCADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649268600 390540906 /nfs/dbraw/zinc/54/09/06/390540906.db2.gz YDLHVYYRSKIDND-NHAGDIPZSA-N 2 2 286.379 0.763 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C[C@H]3CC[NH2+]C3)C2)CC1 ZINC000645978107 390557129 /nfs/dbraw/zinc/55/71/29/390557129.db2.gz ROPBQOOJSRPXSG-KGLIPLIRSA-N 3 2 294.443 0.271 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C[C@H]3CC[NH2+]C3)C2)CC1 ZINC000645978107 390557132 /nfs/dbraw/zinc/55/71/32/390557132.db2.gz ROPBQOOJSRPXSG-KGLIPLIRSA-N 3 2 294.443 0.271 20 0 CCADLP C[C@H](CC(=O)N1CC[C@@H]2OCC[NH2+][C@H]2C1)n1cc[nH+]c1 ZINC000565957718 390562930 /nfs/dbraw/zinc/56/29/30/390562930.db2.gz ONMDDFCHUVQIDO-AGIUHOORSA-N 2 2 278.356 0.424 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC(CC[NH3+])CC1 ZINC000566014523 390568570 /nfs/dbraw/zinc/56/85/70/390568570.db2.gz IYTKCGQMMZYYJC-ZDUSSCGKSA-N 2 2 298.431 0.478 20 0 CCADLP CC[C@@H]([NH2+]Cc1c[nH+]c(C)n1C)C(=O)N1CCOCC1 ZINC000566021064 390569782 /nfs/dbraw/zinc/56/97/82/390569782.db2.gz MDVROBHMBSFYFP-CYBMUJFWSA-N 2 2 280.372 0.456 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CCO1 ZINC000649312417 390572650 /nfs/dbraw/zinc/57/26/50/390572650.db2.gz NXOGZZUVQPZESQ-VHDGCEQUSA-N 2 2 295.427 0.459 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CCO1 ZINC000649312417 390572652 /nfs/dbraw/zinc/57/26/52/390572652.db2.gz NXOGZZUVQPZESQ-VHDGCEQUSA-N 2 2 295.427 0.459 20 0 CCADLP [NH3+]CC1(O)CC[NH+](CC(=O)Nc2ccc(Cl)cn2)CC1 ZINC000522006700 390620757 /nfs/dbraw/zinc/62/07/57/390620757.db2.gz SXBOQYDGSXZVQF-UHFFFAOYSA-N 2 2 298.774 0.459 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000522144834 390627369 /nfs/dbraw/zinc/62/73/69/390627369.db2.gz QBHVAUIIKKOTEZ-GFCCVEGCSA-N 2 2 272.352 0.945 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000522144834 390627373 /nfs/dbraw/zinc/62/73/73/390627373.db2.gz QBHVAUIIKKOTEZ-GFCCVEGCSA-N 2 2 272.352 0.945 20 0 CCADLP Cc1cc(C)c(CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])c[nH+]1 ZINC000566561529 390629201 /nfs/dbraw/zinc/62/92/01/390629201.db2.gz ITEKGUBPBDRRRA-CMPLNLGQSA-N 2 2 292.383 0.557 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)[C@H]2CC[N@H+](C)C2)n1C ZINC000523694875 390641561 /nfs/dbraw/zinc/64/15/61/390641561.db2.gz RAAXKNTZSYXUIG-JTQLQIEISA-N 2 2 265.361 0.054 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)[C@H]2CC[N@@H+](C)C2)n1C ZINC000523694875 390641566 /nfs/dbraw/zinc/64/15/66/390641566.db2.gz RAAXKNTZSYXUIG-JTQLQIEISA-N 2 2 265.361 0.054 20 0 CCADLP CCN(CC)C(=O)C1CC[NH+](C[C@H](O)C[N@H+](C)CC)CC1 ZINC000566745916 390644118 /nfs/dbraw/zinc/64/41/18/390644118.db2.gz NSHCKRMHACCOBN-OAHLLOKOSA-N 2 2 299.459 0.879 20 0 CCADLP CCN(CC)C(=O)C1CC[NH+](C[C@H](O)C[N@@H+](C)CC)CC1 ZINC000566745916 390644120 /nfs/dbraw/zinc/64/41/20/390644120.db2.gz NSHCKRMHACCOBN-OAHLLOKOSA-N 2 2 299.459 0.879 20 0 CCADLP Cc1cccc2[nH+]c(CCNC(=O)N(C)CC[NH3+])cn21 ZINC000646234697 390645692 /nfs/dbraw/zinc/64/56/92/390645692.db2.gz MXNXTBGTYZDKPK-UHFFFAOYSA-N 2 2 275.356 0.785 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000646265093 390654134 /nfs/dbraw/zinc/65/41/34/390654134.db2.gz LINDBVLLUOPRIP-RWMBFGLXSA-N 2 2 274.368 0.775 20 0 CCADLP Cc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1F ZINC000566866791 390655227 /nfs/dbraw/zinc/65/52/27/390655227.db2.gz QUKCGXVHZJPPSM-JSGCOSHPSA-N 2 2 277.343 0.878 20 0 CCADLP Cc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1F ZINC000566866791 390655231 /nfs/dbraw/zinc/65/52/31/390655231.db2.gz QUKCGXVHZJPPSM-JSGCOSHPSA-N 2 2 277.343 0.878 20 0 CCADLP Cc1cccn2cc(CCNC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)[nH+]c12 ZINC000649336062 390592689 /nfs/dbraw/zinc/59/26/89/390592689.db2.gz YQWGHEIIJYQGIK-WDNDVIMCSA-N 2 2 284.363 0.767 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NCc1cccnc1 ZINC000566412798 390597358 /nfs/dbraw/zinc/59/73/58/390597358.db2.gz LBWXRRXFSFFEAB-DGCLKSJQSA-N 2 2 262.357 0.509 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NCc1cccnc1 ZINC000566412798 390597360 /nfs/dbraw/zinc/59/73/60/390597360.db2.gz LBWXRRXFSFFEAB-DGCLKSJQSA-N 2 2 262.357 0.509 20 0 CCADLP C[NH+](C)C1CC(NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000646108613 390600249 /nfs/dbraw/zinc/60/02/49/390600249.db2.gz HOFVARTUZNGZKU-ZALBZXLWSA-N 2 2 295.427 0.839 20 0 CCADLP C[NH+](C)C1CC(NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000646108613 390600254 /nfs/dbraw/zinc/60/02/54/390600254.db2.gz HOFVARTUZNGZKU-ZALBZXLWSA-N 2 2 295.427 0.839 20 0 CCADLP [NH3+][C@@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000521620461 390611786 /nfs/dbraw/zinc/61/17/86/390611786.db2.gz NUINVKXBIFWGGU-SNVBAGLBSA-N 2 2 257.297 0.441 20 0 CCADLP CC1=CC[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000646131161 390613079 /nfs/dbraw/zinc/61/30/79/390613079.db2.gz WXXFLCSSBMXSJY-CYBMUJFWSA-N 2 2 251.374 0.849 20 0 CCADLP CCOc1cccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)n1 ZINC000521900114 390614278 /nfs/dbraw/zinc/61/42/78/390614278.db2.gz CBIOONOZYJAUHR-CHWSQXEVSA-N 2 2 290.367 0.224 20 0 CCADLP CCOc1cccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)n1 ZINC000521900114 390614282 /nfs/dbraw/zinc/61/42/82/390614282.db2.gz CBIOONOZYJAUHR-CHWSQXEVSA-N 2 2 290.367 0.224 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000646137255 390615692 /nfs/dbraw/zinc/61/56/92/390615692.db2.gz RHRXTHOTCLAOQG-ZDUSSCGKSA-N 2 2 283.416 0.554 20 0 CCADLP COc1ccc[nH+]c1NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000527905387 390725598 /nfs/dbraw/zinc/72/55/98/390725598.db2.gz OFIYLGKWRZXNRT-CQSZACIVSA-N 2 2 281.356 0.585 20 0 CCADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](C)[NH3+])C2)CC1 ZINC000567051875 390668699 /nfs/dbraw/zinc/66/86/99/390668699.db2.gz CEXFTTAIXIBLCY-ZIAGYGMSSA-N 3 2 254.422 0.434 20 0 CCADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](C)[NH3+])C2)CC1 ZINC000567051875 390668700 /nfs/dbraw/zinc/66/87/00/390668700.db2.gz CEXFTTAIXIBLCY-ZIAGYGMSSA-N 3 2 254.422 0.434 20 0 CCADLP OC[C@@H]1CCCN(c2cc(N[C@H]3CC[NH2+]C3)nc[nH+]2)C1 ZINC000567124669 390673875 /nfs/dbraw/zinc/67/38/75/390673875.db2.gz OQTQHDVXTFQZJV-NEPJUHHUSA-N 2 2 277.372 0.459 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000567365972 390695775 /nfs/dbraw/zinc/69/57/75/390695775.db2.gz RCODOZQUWPIGOJ-LLVKDONJSA-N 2 2 290.371 0.985 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000567365972 390695778 /nfs/dbraw/zinc/69/57/78/390695778.db2.gz RCODOZQUWPIGOJ-LLVKDONJSA-N 2 2 290.371 0.985 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000567402452 390697744 /nfs/dbraw/zinc/69/77/44/390697744.db2.gz VDXLCBVOSCRSTL-ILXRZTDVSA-N 3 2 271.449 0.961 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000567402452 390697745 /nfs/dbraw/zinc/69/77/45/390697745.db2.gz VDXLCBVOSCRSTL-ILXRZTDVSA-N 3 2 271.449 0.961 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](OC(F)F)C1 ZINC000571414494 390734442 /nfs/dbraw/zinc/73/44/42/390734442.db2.gz QAKQESQJPLPNIR-UWVGGRQHSA-N 2 2 252.305 0.613 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](OC(F)F)C1 ZINC000571414494 390734443 /nfs/dbraw/zinc/73/44/43/390734443.db2.gz QAKQESQJPLPNIR-UWVGGRQHSA-N 2 2 252.305 0.613 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000571414494 390734444 /nfs/dbraw/zinc/73/44/44/390734444.db2.gz QAKQESQJPLPNIR-UWVGGRQHSA-N 2 2 252.305 0.613 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000571414494 390734445 /nfs/dbraw/zinc/73/44/45/390734445.db2.gz QAKQESQJPLPNIR-UWVGGRQHSA-N 2 2 252.305 0.613 20 0 CCADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000567484078 390700527 /nfs/dbraw/zinc/70/05/27/390700527.db2.gz GVQHTJBEBXKHLZ-AWEZNQCLSA-N 2 2 298.427 0.713 20 0 CCADLP C[C@H]1COCC[N@H+]1C1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000567484078 390700529 /nfs/dbraw/zinc/70/05/29/390700529.db2.gz GVQHTJBEBXKHLZ-AWEZNQCLSA-N 2 2 298.427 0.713 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)C[C@H]1CCC[C@@H]1O ZINC000571815650 390754468 /nfs/dbraw/zinc/75/44/68/390754468.db2.gz IQCMNVPVFVZICJ-RDBSUJKOSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@H]1CCC[C@@H]1O ZINC000571815650 390754469 /nfs/dbraw/zinc/75/44/69/390754469.db2.gz IQCMNVPVFVZICJ-RDBSUJKOSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000571815650 390754471 /nfs/dbraw/zinc/75/44/71/390754471.db2.gz IQCMNVPVFVZICJ-RDBSUJKOSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000571815650 390754473 /nfs/dbraw/zinc/75/44/73/390754473.db2.gz IQCMNVPVFVZICJ-RDBSUJKOSA-N 2 2 274.405 0.018 20 0 CCADLP [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000646997537 390755776 /nfs/dbraw/zinc/75/57/76/390755776.db2.gz XVXHFGTXESNPPP-MNOVXSKESA-N 2 2 286.339 0.662 20 0 CCADLP CC[C@@H](C(=O)NCc1c[nH+]c(C)nc1N)[NH+](C)C ZINC000572042429 390765248 /nfs/dbraw/zinc/76/52/48/390765248.db2.gz NFQZNHNPYJBKMZ-JTQLQIEISA-N 2 2 251.334 0.154 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000528636012 390765362 /nfs/dbraw/zinc/76/53/62/390765362.db2.gz ULPABYFKWZEDRG-CYBMUJFWSA-N 2 2 264.373 0.990 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000528636012 390765363 /nfs/dbraw/zinc/76/53/63/390765363.db2.gz ULPABYFKWZEDRG-CYBMUJFWSA-N 2 2 264.373 0.990 20 0 CCADLP O=C(N[C@@H]1CC12CC[NH2+]CC2)c1ccc(-n2cc[nH+]c2)nn1 ZINC000647056105 390766864 /nfs/dbraw/zinc/76/68/64/390766864.db2.gz SLCQIUYZOMPQCP-GFCCVEGCSA-N 2 2 298.350 0.534 20 0 CCADLP O=C(NC[C@H]1COCC[NH2+]1)Nc1ccc2[nH+]ccn2c1 ZINC000528682285 390767950 /nfs/dbraw/zinc/76/79/50/390767950.db2.gz YXMALECWOHUITF-NSHDSACASA-N 2 2 275.312 0.444 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000647068045 390769130 /nfs/dbraw/zinc/76/91/30/390769130.db2.gz MESMDCCMFCJULY-BDAKNGLRSA-N 2 2 263.332 0.815 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](OCCOC)C1 ZINC000572614146 390792696 /nfs/dbraw/zinc/79/26/96/390792696.db2.gz YDVMCQJQZKHBON-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](OCCOC)C1 ZINC000572614146 390792697 /nfs/dbraw/zinc/79/26/97/390792697.db2.gz YDVMCQJQZKHBON-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](OCCOC)C1 ZINC000572614146 390792698 /nfs/dbraw/zinc/79/26/98/390792698.db2.gz YDVMCQJQZKHBON-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](OCCOC)C1 ZINC000572614146 390792699 /nfs/dbraw/zinc/79/26/99/390792699.db2.gz YDVMCQJQZKHBON-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC000572644199 390794390 /nfs/dbraw/zinc/79/43/90/390794390.db2.gz YAASBQQIUPQLCQ-CQSZACIVSA-N 3 2 254.422 0.436 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC000572644199 390794393 /nfs/dbraw/zinc/79/43/93/390794393.db2.gz YAASBQQIUPQLCQ-CQSZACIVSA-N 3 2 254.422 0.436 20 0 CCADLP CNC(=O)CCC[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000572682265 390796518 /nfs/dbraw/zinc/79/65/18/390796518.db2.gz KRQHHPSTSLYJCP-UHFFFAOYSA-N 2 2 292.383 0.738 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2COCC2(C)C)C[C@@H](C)O1 ZINC000575086300 335063510 /nfs/dbraw/zinc/06/35/10/335063510.db2.gz SCBRBTWJYHWKNE-AAVRWANBSA-N 2 2 286.416 0.471 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)CC(F)(F)C[NH3+])CC1 ZINC000571651609 390746632 /nfs/dbraw/zinc/74/66/32/390746632.db2.gz LDVWNUIFEVMZBX-UHFFFAOYSA-N 2 2 279.331 0.151 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000578244691 390873058 /nfs/dbraw/zinc/87/30/58/390873058.db2.gz CKJGQCHWWKHNSU-KGLIPLIRSA-N 2 2 270.348 0.761 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000578244691 390873061 /nfs/dbraw/zinc/87/30/61/390873061.db2.gz CKJGQCHWWKHNSU-KGLIPLIRSA-N 2 2 270.348 0.761 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000578244793 390873443 /nfs/dbraw/zinc/87/34/43/390873443.db2.gz KMGZGUGENMDMDU-LBPRGKRZSA-N 2 2 286.401 0.106 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000578244793 390873444 /nfs/dbraw/zinc/87/34/44/390873444.db2.gz KMGZGUGENMDMDU-LBPRGKRZSA-N 2 2 286.401 0.106 20 0 CCADLP COCC[N@H+](C)CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000578335595 390878474 /nfs/dbraw/zinc/87/84/74/390878474.db2.gz LSXSDDIINWHVCP-UHFFFAOYSA-N 2 2 290.367 0.951 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000578335595 390878477 /nfs/dbraw/zinc/87/84/77/390878477.db2.gz LSXSDDIINWHVCP-UHFFFAOYSA-N 2 2 290.367 0.951 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3ccc(F)cc3F)CCN2C1=O ZINC000572985684 390816539 /nfs/dbraw/zinc/81/65/39/390816539.db2.gz LCSQGLSWRCWZGO-YPMHNXCESA-N 2 2 281.306 0.709 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3ccc(F)cc3F)CCN2C1=O ZINC000572985684 390816540 /nfs/dbraw/zinc/81/65/40/390816540.db2.gz LCSQGLSWRCWZGO-YPMHNXCESA-N 2 2 281.306 0.709 20 0 CCADLP C[C@H](C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)S(C)(=O)=O ZINC000575040295 390831638 /nfs/dbraw/zinc/83/16/38/390831638.db2.gz SQNQRLTWBMCEER-QWHCGFSZSA-N 2 2 292.445 0.510 20 0 CCADLP C[C@H](C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)S(C)(=O)=O ZINC000575040295 390831642 /nfs/dbraw/zinc/83/16/42/390831642.db2.gz SQNQRLTWBMCEER-QWHCGFSZSA-N 2 2 292.445 0.510 20 0 CCADLP C[N@@H+]1CCN(Cc2cn3cccc(F)c3n2)[C@@H](C[NH3+])C1 ZINC000647539518 390837280 /nfs/dbraw/zinc/83/72/80/390837280.db2.gz KJLFVFQOHODXGL-LBPRGKRZSA-N 2 2 277.347 0.548 20 0 CCADLP C[N@H+]1CCN(Cc2cn3cccc(F)c3n2)[C@@H](C[NH3+])C1 ZINC000647539518 390837283 /nfs/dbraw/zinc/83/72/83/390837283.db2.gz KJLFVFQOHODXGL-LBPRGKRZSA-N 2 2 277.347 0.548 20 0 CCADLP CC(C)[NH2+]CC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000577868207 390849898 /nfs/dbraw/zinc/84/98/98/390849898.db2.gz ZVHCRKRSHBHKGW-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)N(C)Cc2c[nH+]c[nH]2)CC[NH2+]1 ZINC000577868062 390849949 /nfs/dbraw/zinc/84/99/49/390849949.db2.gz QUQCHYOQIJSXDB-NXEZZACHSA-N 2 2 251.334 0.692 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)N(C)Cc2c[nH]c[nH+]2)CC[NH2+]1 ZINC000577868062 390849952 /nfs/dbraw/zinc/84/99/52/390849952.db2.gz QUQCHYOQIJSXDB-NXEZZACHSA-N 2 2 251.334 0.692 20 0 CCADLP C[C@H](C(=O)NCC[C@H]1CCC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000578443556 390884164 /nfs/dbraw/zinc/88/41/64/390884164.db2.gz DRRSVAAAFUVHAC-ZIAGYGMSSA-N 2 2 282.432 0.128 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533866487 390886902 /nfs/dbraw/zinc/88/69/02/390886902.db2.gz ICUVROYZJBMKCJ-MNOVXSKESA-N 2 2 293.371 0.444 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533866487 390886904 /nfs/dbraw/zinc/88/69/04/390886904.db2.gz ICUVROYZJBMKCJ-MNOVXSKESA-N 2 2 293.371 0.444 20 0 CCADLP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC[C@@H](O)C[NH+]1CCOCC1 ZINC000578858901 390904481 /nfs/dbraw/zinc/90/44/81/390904481.db2.gz ATZPNUMPNXFJHG-BZUAXINKSA-N 2 2 299.459 0.532 20 0 CCADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1cnn(C)c1 ZINC000453254294 533432611 /nfs/dbraw/zinc/43/26/11/533432611.db2.gz DLLBGZXEOYUCGR-TZMCWYRMSA-N 2 2 266.389 0.918 20 0 CCADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1cnn(C)c1 ZINC000453254294 533432612 /nfs/dbraw/zinc/43/26/12/533432612.db2.gz DLLBGZXEOYUCGR-TZMCWYRMSA-N 2 2 266.389 0.918 20 0 CCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCCn1cc[nH+]c1 ZINC000529286515 285438316 /nfs/dbraw/zinc/43/83/16/285438316.db2.gz USURNYJTZDBOBB-LBPRGKRZSA-N 2 2 265.361 0.523 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](CC)C[C@H]2C)C1 ZINC000341771034 130007466 /nfs/dbraw/zinc/00/74/66/130007466.db2.gz FMCQIACFGIVHCE-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@H+](CC)C[C@H]2C)C1 ZINC000341771034 130007469 /nfs/dbraw/zinc/00/74/69/130007469.db2.gz FMCQIACFGIVHCE-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)[C@H](C)C1 ZINC000341771034 130007471 /nfs/dbraw/zinc/00/74/71/130007471.db2.gz FMCQIACFGIVHCE-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@H](C)C1 ZINC000341771034 130007472 /nfs/dbraw/zinc/00/74/72/130007472.db2.gz FMCQIACFGIVHCE-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP O=C(C1C[NH2+]C1)N1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000342135185 130294306 /nfs/dbraw/zinc/29/43/06/130294306.db2.gz GWAXVIJLWSTQAB-NSHDSACASA-N 2 2 260.341 0.561 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NCCn2cc[nH+]c2)CCC[N@H+]1C ZINC000342210922 130387117 /nfs/dbraw/zinc/38/71/17/130387117.db2.gz YPSMVDCUQXMIDZ-NEPJUHHUSA-N 2 2 265.361 0.665 20 0 CCADLP COc1ccccc1C[NH+]1CCN(C(=O)C2([NH3+])CC2)CC1 ZINC000237165468 131009440 /nfs/dbraw/zinc/00/94/40/131009440.db2.gz YNUKYGUXLLRLLS-UHFFFAOYSA-N 2 2 289.379 0.831 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000237172408 131009658 /nfs/dbraw/zinc/00/96/58/131009658.db2.gz OZGGHWGWNNSCES-CYBMUJFWSA-N 2 2 291.395 0.892 20 0 CCADLP Cc1cccn2cc(CNC(=O)[C@@H]3COCC[NH2+]3)[nH+]c12 ZINC000237775554 131056872 /nfs/dbraw/zinc/05/68/72/131056872.db2.gz JPBGNHVOZBSZOC-LBPRGKRZSA-N 2 2 274.324 0.247 20 0 CCADLP O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[NH2+]CC1 ZINC000237970338 131069628 /nfs/dbraw/zinc/06/96/28/131069628.db2.gz BYNOAHAPEOCYSH-HNNXBMFYSA-N 2 2 289.379 0.319 20 0 CCADLP O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[NH2+]CC1 ZINC000237970338 131069629 /nfs/dbraw/zinc/06/96/29/131069629.db2.gz BYNOAHAPEOCYSH-HNNXBMFYSA-N 2 2 289.379 0.319 20 0 CCADLP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1COCC[NH2+]1 ZINC000250652683 131125939 /nfs/dbraw/zinc/12/59/39/131125939.db2.gz RSPQGHYQSFFJGV-LSDHHAIUSA-N 2 2 289.379 0.366 20 0 CCADLP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1COCC[NH2+]1 ZINC000250652683 131125940 /nfs/dbraw/zinc/12/59/40/131125940.db2.gz RSPQGHYQSFFJGV-LSDHHAIUSA-N 2 2 289.379 0.366 20 0 CCADLP COc1cccc(CNC(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000251523006 131129312 /nfs/dbraw/zinc/12/93/12/131129312.db2.gz AABHVDVLZYCFBX-IUODEOHRSA-N 2 2 291.395 0.981 20 0 CCADLP COc1cccc(CNC(=O)C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000251523006 131129316 /nfs/dbraw/zinc/12/93/16/131129316.db2.gz AABHVDVLZYCFBX-IUODEOHRSA-N 2 2 291.395 0.981 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000252651305 131136110 /nfs/dbraw/zinc/13/61/10/131136110.db2.gz HIKCCYKCYQJOBR-WOPDTQHZSA-N 2 2 250.346 0.776 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)Cn1cc[nH+]c1 ZINC000261836004 131172047 /nfs/dbraw/zinc/17/20/47/131172047.db2.gz QFPOYXITLMMOOG-TUAOUCFPSA-N 2 2 266.345 0.142 20 0 CCADLP Cc1ncc(C[NH+]2CCN(C(=O)[C@@H](C)C[NH3+])CC2)s1 ZINC000262303522 131209589 /nfs/dbraw/zinc/20/95/89/131209589.db2.gz BVNTXXVDMFSDNP-JTQLQIEISA-N 2 2 282.413 0.691 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000262879625 131270280 /nfs/dbraw/zinc/27/02/80/131270280.db2.gz VTZTYHBEAGGCIC-DGCLKSJQSA-N 2 2 285.351 0.995 20 0 CCADLP Cc1[nH]c(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)c[nH+]1 ZINC000268572808 132028404 /nfs/dbraw/zinc/02/84/04/132028404.db2.gz LUFQOJVUYMPJKL-UHFFFAOYSA-N 2 2 280.372 0.683 20 0 CCADLP [NH3+][C@@H]1CCN(C(=O)c2ccccc2C[NH+]2CCOCC2)C1 ZINC000269112354 132114549 /nfs/dbraw/zinc/11/45/49/132114549.db2.gz FTNFKEKNLATFFR-CQSZACIVSA-N 2 2 289.379 0.692 20 0 CCADLP C[C@]1(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)CC[NH2+]C1 ZINC000269233140 132138193 /nfs/dbraw/zinc/13/81/93/132138193.db2.gz DPWQMCRUIOCOCK-HNNXBMFYSA-N 2 2 285.351 0.883 20 0 CCADLP Cc1cn2cc(NC(=O)C[C@H]3C[NH2+]CCO3)ccc2[nH+]1 ZINC000269239431 132139552 /nfs/dbraw/zinc/13/95/52/132139552.db2.gz IYPBWTCOAGXRMO-LBPRGKRZSA-N 2 2 274.324 0.960 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000575107691 335066048 /nfs/dbraw/zinc/06/60/48/335066048.db2.gz LOHCYKKAVXRXTC-GRYCIOLGSA-N 2 2 295.387 0.684 20 0 CCADLP CN(CC[N@H+](C)Cc1cn[nH]c1)C1CC[NH+](C)CC1 ZINC000685454764 545822735 /nfs/dbraw/zinc/82/27/35/545822735.db2.gz IWVNGWWKQNLDHQ-UHFFFAOYSA-N 2 2 265.405 0.868 20 0 CCADLP CN(CC[N@@H+](C)Cc1cn[nH]c1)C1CC[NH+](C)CC1 ZINC000685454764 545822738 /nfs/dbraw/zinc/82/27/38/545822738.db2.gz IWVNGWWKQNLDHQ-UHFFFAOYSA-N 2 2 265.405 0.868 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cn[nH]c1 ZINC000685454764 545822740 /nfs/dbraw/zinc/82/27/40/545822740.db2.gz IWVNGWWKQNLDHQ-UHFFFAOYSA-N 2 2 265.405 0.868 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cn[nH]c1 ZINC000685454764 545822744 /nfs/dbraw/zinc/82/27/44/545822744.db2.gz IWVNGWWKQNLDHQ-UHFFFAOYSA-N 2 2 265.405 0.868 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C)N1CC[NH+](C)CC1 ZINC000356887701 144041474 /nfs/dbraw/zinc/04/14/74/144041474.db2.gz UIXRHZCGHSCENP-HZSPNIEDSA-N 2 2 282.432 0.173 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C)N1CC[NH+](C)CC1 ZINC000356887701 144041475 /nfs/dbraw/zinc/04/14/75/144041475.db2.gz UIXRHZCGHSCENP-HZSPNIEDSA-N 2 2 282.432 0.173 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[NH+]2CCC1CC2 ZINC000356993616 144048797 /nfs/dbraw/zinc/04/87/97/144048797.db2.gz DTXBKIVQKBZDQL-UHFFFAOYSA-N 2 2 262.357 0.659 20 0 CCADLP O=C(N1CC[NH+]2CCC1CC2)C1([NH+]2CCOCC2)CCC1 ZINC000357000235 144049642 /nfs/dbraw/zinc/04/96/42/144049642.db2.gz RDGMODZHLKHKGQ-UHFFFAOYSA-N 2 2 293.411 0.548 20 0 CCADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[NH+]2CCC1CC2 ZINC000357004389 144050299 /nfs/dbraw/zinc/05/02/99/144050299.db2.gz YBFPFPLLBPXFAZ-LBPRGKRZSA-N 2 2 274.368 0.752 20 0 CCADLP [NH3+]CCOCC[N@@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000357091135 144059236 /nfs/dbraw/zinc/05/92/36/144059236.db2.gz VXXWKKYUAMRWKY-UHFFFAOYSA-N 2 2 295.358 0.445 20 0 CCADLP [NH3+]CCOCC[N@H+]1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000357091135 144059237 /nfs/dbraw/zinc/05/92/37/144059237.db2.gz VXXWKKYUAMRWKY-UHFFFAOYSA-N 2 2 295.358 0.445 20 0 CCADLP C[N@H+](CCOCC(F)(F)F)C1CC[NH+](CCO)CC1 ZINC000357643706 144108033 /nfs/dbraw/zinc/10/80/33/144108033.db2.gz AQPDENXJWNCPCB-UHFFFAOYSA-N 2 2 284.322 0.954 20 0 CCADLP C[N@@H+](CCOCC(F)(F)F)C1CC[NH+](CCO)CC1 ZINC000357643706 144108034 /nfs/dbraw/zinc/10/80/34/144108034.db2.gz AQPDENXJWNCPCB-UHFFFAOYSA-N 2 2 284.322 0.954 20 0 CCADLP C[N@H+](C[C@H]1CCCCO1)C1CC[NH+](CCO)CC1 ZINC000357646776 144108543 /nfs/dbraw/zinc/10/85/43/144108543.db2.gz ICKXFHGFPPVONZ-CQSZACIVSA-N 2 2 256.390 0.944 20 0 CCADLP C[N@@H+](C[C@H]1CCCCO1)C1CC[NH+](CCO)CC1 ZINC000357646776 144108545 /nfs/dbraw/zinc/10/85/45/144108545.db2.gz ICKXFHGFPPVONZ-CQSZACIVSA-N 2 2 256.390 0.944 20 0 CCADLP CC(C)[C@H](C)NC(=O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357654772 144109532 /nfs/dbraw/zinc/10/95/32/144109532.db2.gz XMICLGBQEOQMPR-ZDUSSCGKSA-N 2 2 285.432 0.536 20 0 CCADLP CC(C)[C@H](C)NC(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357654772 144109534 /nfs/dbraw/zinc/10/95/34/144109534.db2.gz XMICLGBQEOQMPR-ZDUSSCGKSA-N 2 2 285.432 0.536 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000357806724 144122749 /nfs/dbraw/zinc/12/27/49/144122749.db2.gz MADHPWNYGFRTSX-TZMCWYRMSA-N 2 2 269.389 0.356 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000357806724 144122751 /nfs/dbraw/zinc/12/27/51/144122751.db2.gz MADHPWNYGFRTSX-TZMCWYRMSA-N 2 2 269.389 0.356 20 0 CCADLP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000357904967 144131661 /nfs/dbraw/zinc/13/16/61/144131661.db2.gz BRALLAAQBCYJKM-GHMZBOCLSA-N 2 2 294.742 0.327 20 0 CCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000357933861 144134637 /nfs/dbraw/zinc/13/46/37/144134637.db2.gz YYRDYXFSMUOJIG-QWHCGFSZSA-N 2 2 290.367 0.021 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000357985223 144140325 /nfs/dbraw/zinc/14/03/25/144140325.db2.gz JNLJPWZQQJDHHF-GHMZBOCLSA-N 2 2 279.388 0.906 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000357985223 144140326 /nfs/dbraw/zinc/14/03/26/144140326.db2.gz JNLJPWZQQJDHHF-GHMZBOCLSA-N 2 2 279.388 0.906 20 0 CCADLP Cc1cccc2[nH+]c(CN3CCO[C@H](C[NH3+])C3)cn21 ZINC000358122594 144154916 /nfs/dbraw/zinc/15/49/16/144154916.db2.gz IGDSLFJCRHWOQG-CYBMUJFWSA-N 2 2 260.341 0.802 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000358529511 144159000 /nfs/dbraw/zinc/15/90/00/144159000.db2.gz QMUPALIFPVAIAJ-CYBMUJFWSA-N 2 2 291.399 0.863 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359215742 144202551 /nfs/dbraw/zinc/20/25/51/144202551.db2.gz ITGIUFXIJRTHIS-HNNXBMFYSA-N 3 2 294.443 0.272 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359215742 144202553 /nfs/dbraw/zinc/20/25/53/144202553.db2.gz ITGIUFXIJRTHIS-HNNXBMFYSA-N 3 2 294.443 0.272 20 0 CCADLP Cc1cc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)cs1 ZINC000381410311 397487253 /nfs/dbraw/zinc/48/72/53/397487253.db2.gz RMXODRRJFYASTJ-UHFFFAOYSA-N 2 2 267.398 0.920 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)NCC1CC1 ZINC000371294111 144325532 /nfs/dbraw/zinc/32/55/32/144325532.db2.gz JBTMASCGIDYQPL-RBSFLKMASA-N 2 2 295.427 0.696 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC(=O)NCC1CC1 ZINC000371294111 144325533 /nfs/dbraw/zinc/32/55/33/144325533.db2.gz JBTMASCGIDYQPL-RBSFLKMASA-N 2 2 295.427 0.696 20 0 CCADLP COC(=O)[C@H]1C[C@@H](OC)CC[N@@H+]1CCCn1cc[nH+]c1 ZINC000371535400 144335966 /nfs/dbraw/zinc/33/59/66/144335966.db2.gz RAWIAIKTXILWTG-QWHCGFSZSA-N 2 2 281.356 0.926 20 0 CCADLP COC(=O)[C@H]1C[C@@H](OC)CC[N@H+]1CCCn1cc[nH+]c1 ZINC000371535400 144335968 /nfs/dbraw/zinc/33/59/68/144335968.db2.gz RAWIAIKTXILWTG-QWHCGFSZSA-N 2 2 281.356 0.926 20 0 CCADLP C[N@@H+]1CCCC12CCN(C[C@H](O)C[NH+]1CCOCC1)CC2 ZINC000371691866 144341051 /nfs/dbraw/zinc/34/10/51/144341051.db2.gz DMJHFDQOMZBRRP-HNNXBMFYSA-N 2 2 297.443 0.240 20 0 CCADLP C[N@H+]1CCCC12CCN(C[C@H](O)C[NH+]1CCOCC1)CC2 ZINC000371691866 144341053 /nfs/dbraw/zinc/34/10/53/144341053.db2.gz DMJHFDQOMZBRRP-HNNXBMFYSA-N 2 2 297.443 0.240 20 0 CCADLP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)NC[C@H]1CCCO1 ZINC000372169170 144355868 /nfs/dbraw/zinc/35/58/68/144355868.db2.gz LLLHKIRDILXVBK-CYBMUJFWSA-N 2 2 292.383 0.884 20 0 CCADLP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000571937890 397579927 /nfs/dbraw/zinc/57/99/27/397579927.db2.gz NVBARMIMTAWIQL-VXGBXAGGSA-N 2 2 250.346 0.728 20 0 CCADLP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000571937890 397579930 /nfs/dbraw/zinc/57/99/30/397579930.db2.gz NVBARMIMTAWIQL-VXGBXAGGSA-N 2 2 250.346 0.728 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](CCc2cncs2)CC1=O ZINC000649685215 397655189 /nfs/dbraw/zinc/65/51/89/397655189.db2.gz SHDINPZAUKVVPH-UHFFFAOYSA-N 2 2 282.413 0.391 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](CCc2cncs2)CC1=O ZINC000649685215 397655192 /nfs/dbraw/zinc/65/51/92/397655192.db2.gz SHDINPZAUKVVPH-UHFFFAOYSA-N 2 2 282.413 0.391 20 0 CCADLP CC(C)COCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649684779 397655272 /nfs/dbraw/zinc/65/52/72/397655272.db2.gz BMHCILOSDLXJJD-UHFFFAOYSA-N 2 2 271.405 0.365 20 0 CCADLP CC(C)COCC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649684779 397655277 /nfs/dbraw/zinc/65/52/77/397655277.db2.gz BMHCILOSDLXJJD-UHFFFAOYSA-N 2 2 271.405 0.365 20 0 CCADLP Cn1c(C[N@H+](C)CCN2CC[NH2+]CC2)nnc1C1CC1 ZINC000649409751 397606249 /nfs/dbraw/zinc/60/62/49/397606249.db2.gz SFTXUVNPQSFXGO-UHFFFAOYSA-N 2 2 278.404 0.030 20 0 CCADLP Cn1c(C[N@@H+](C)CCN2CC[NH2+]CC2)nnc1C1CC1 ZINC000649409751 397606251 /nfs/dbraw/zinc/60/62/51/397606251.db2.gz SFTXUVNPQSFXGO-UHFFFAOYSA-N 2 2 278.404 0.030 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](CCO[C@H]2CCCCO2)CC1=O ZINC000649685862 397656394 /nfs/dbraw/zinc/65/63/94/397656394.db2.gz OSJMZAGJGOMUGD-HNNXBMFYSA-N 2 2 299.415 0.235 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](CCO[C@H]2CCCCO2)CC1=O ZINC000649685862 397656397 /nfs/dbraw/zinc/65/63/97/397656397.db2.gz OSJMZAGJGOMUGD-HNNXBMFYSA-N 2 2 299.415 0.235 20 0 CCADLP CC[C@H]1C[N@H+](CC(=O)N(C)Cc2cnn(C)c2)CC[C@@H]1[NH3+] ZINC000649416759 397609288 /nfs/dbraw/zinc/60/92/88/397609288.db2.gz KUSZTKYWSXGBAW-KBPBESRZSA-N 2 2 293.415 0.438 20 0 CCADLP CC[C@H]1C[N@@H+](CC(=O)N(C)Cc2cnn(C)c2)CC[C@@H]1[NH3+] ZINC000649416759 397609289 /nfs/dbraw/zinc/60/92/89/397609289.db2.gz KUSZTKYWSXGBAW-KBPBESRZSA-N 2 2 293.415 0.438 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](CC)CC2)CC[C@H]1[NH3+] ZINC000649417133 397609385 /nfs/dbraw/zinc/60/93/85/397609385.db2.gz YTVWXLQVXXZYBE-UKRRQHHQSA-N 3 2 296.459 0.646 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](CC)CC2)CC[C@H]1[NH3+] ZINC000649417133 397609387 /nfs/dbraw/zinc/60/93/87/397609387.db2.gz YTVWXLQVXXZYBE-UKRRQHHQSA-N 3 2 296.459 0.646 20 0 CCADLP CC1([NH3+])CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000649416055 397609630 /nfs/dbraw/zinc/60/96/30/397609630.db2.gz KKGWCUSPFZTQSK-UHFFFAOYSA-N 3 2 294.443 0.543 20 0 CCADLP CC[NH+]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000650983808 397798052 /nfs/dbraw/zinc/79/80/52/397798052.db2.gz QZHQQSBCARNTMP-UHFFFAOYSA-N 2 2 276.384 0.926 20 0 CCADLP C[N@@H+]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651265239 397860512 /nfs/dbraw/zinc/86/05/12/397860512.db2.gz LUCUWSUUNZVHNH-LBPRGKRZSA-N 2 2 276.384 0.972 20 0 CCADLP C[N@H+]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651265239 397860519 /nfs/dbraw/zinc/86/05/19/397860519.db2.gz LUCUWSUUNZVHNH-LBPRGKRZSA-N 2 2 276.384 0.972 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N1CC[N@H+](CC)[C@@H](C)C1 ZINC000685594916 545843532 /nfs/dbraw/zinc/84/35/32/545843532.db2.gz KORGRLKKZINVGT-ZDUSSCGKSA-N 2 2 291.461 0.684 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000685594916 545843537 /nfs/dbraw/zinc/84/35/37/545843537.db2.gz KORGRLKKZINVGT-ZDUSSCGKSA-N 2 2 291.461 0.684 20 0 CCADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000548122090 286007956 /nfs/dbraw/zinc/00/79/56/286007956.db2.gz OILNNWPOGSSMEI-STQMWFEESA-N 2 2 285.432 0.990 20 0 CCADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000548122090 286007957 /nfs/dbraw/zinc/00/79/57/286007957.db2.gz OILNNWPOGSSMEI-STQMWFEESA-N 2 2 285.432 0.990 20 0 CCADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Cc1c[nH+]cn1C ZINC000548383390 286031812 /nfs/dbraw/zinc/03/18/12/286031812.db2.gz DRVYQUYJIWQBPO-LBPRGKRZSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Cc1c[nH+]cn1C ZINC000548383390 286031813 /nfs/dbraw/zinc/03/18/13/286031813.db2.gz DRVYQUYJIWQBPO-LBPRGKRZSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@H](CNC(=O)C(C)(C)c1c[nH]c[nH+]1)C[NH+]1CCOCC1 ZINC000548420423 286034831 /nfs/dbraw/zinc/03/48/31/286034831.db2.gz HBGRNHCWITVYSB-GFCCVEGCSA-N 2 2 294.399 0.772 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000550712404 286111321 /nfs/dbraw/zinc/11/13/21/286111321.db2.gz LNXWIZLFECGPQU-KLHDSHLOSA-N 2 2 297.443 0.237 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)CCCC[NH+](C)C ZINC000552369965 286164268 /nfs/dbraw/zinc/16/42/68/286164268.db2.gz NAKGAARKIRGFLM-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)CCCC[NH+](C)C ZINC000552369965 286164270 /nfs/dbraw/zinc/16/42/70/286164270.db2.gz NAKGAARKIRGFLM-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000162242124 286641701 /nfs/dbraw/zinc/64/17/01/286641701.db2.gz MADCKOIDCJGRKP-QWRGUYRKSA-N 2 2 250.408 0.739 20 0 CCADLP O=C([C@H]1CCC[NH2+]C1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000167317701 304432816 /nfs/dbraw/zinc/43/28/16/304432816.db2.gz TWYDOCPUBWZOMH-GJZGRUSLSA-N 2 2 295.427 0.699 20 0 CCADLP CC[C@@H]1CN(CC[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CCO1 ZINC000487190482 287195520 /nfs/dbraw/zinc/19/55/20/287195520.db2.gz QYXMEPKOSCISFJ-BFHYXJOUSA-N 2 2 255.406 0.637 20 0 CCADLP CC[C@@H]1CN(CC[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CCO1 ZINC000487190482 287195522 /nfs/dbraw/zinc/19/55/22/287195522.db2.gz QYXMEPKOSCISFJ-BFHYXJOUSA-N 2 2 255.406 0.637 20 0 CCADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284319537 196028191 /nfs/dbraw/zinc/02/81/91/196028191.db2.gz HWCPDUQFIIEWGO-GFUIURDCSA-N 2 2 280.372 0.896 20 0 CCADLP CCO[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000311530764 411750739 /nfs/dbraw/zinc/75/07/39/411750739.db2.gz FLSQXYHEDZSXAQ-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP CCO[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000311530764 411750741 /nfs/dbraw/zinc/75/07/41/411750741.db2.gz FLSQXYHEDZSXAQ-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP CCO[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000311530764 411750745 /nfs/dbraw/zinc/75/07/45/411750745.db2.gz FLSQXYHEDZSXAQ-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP CCO[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000311530764 411750748 /nfs/dbraw/zinc/75/07/48/411750748.db2.gz FLSQXYHEDZSXAQ-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP CC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000130377563 411722662 /nfs/dbraw/zinc/72/26/62/411722662.db2.gz BIHKCWUQDJZILM-VXGBXAGGSA-N 2 2 255.362 0.047 20 0 CCADLP CC(C)(CNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)[NH+]1CCOCC1 ZINC000407307305 411806342 /nfs/dbraw/zinc/80/63/42/411806342.db2.gz MIVUIETVFRWXLU-ZIAGYGMSSA-N 2 2 295.427 0.744 20 0 CCADLP [NH3+]CCCN1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000414762333 411810768 /nfs/dbraw/zinc/81/07/68/411810768.db2.gz VVCNUWHFMITJHS-CVEARBPZSA-N 2 2 275.396 0.920 20 0 CCADLP [NH3+]CCCN1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000414762333 411810772 /nfs/dbraw/zinc/81/07/72/411810772.db2.gz VVCNUWHFMITJHS-CVEARBPZSA-N 2 2 275.396 0.920 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)CNC[C@@H]2CCC[NH+]2C)C[C@H](C)O1 ZINC000521996142 411825728 /nfs/dbraw/zinc/82/57/28/411825728.db2.gz SAKYVKDUKLKLEM-LJISPDSOSA-N 2 2 285.432 0.140 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)CNC[C@@H]2CCC[NH+]2C)C[C@H](C)O1 ZINC000521996142 411825732 /nfs/dbraw/zinc/82/57/32/411825732.db2.gz SAKYVKDUKLKLEM-LJISPDSOSA-N 2 2 285.432 0.140 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CNC[C@@H]2CCC[N@@H+]2C)C[C@H](C)O1 ZINC000521996142 411825735 /nfs/dbraw/zinc/82/57/35/411825735.db2.gz SAKYVKDUKLKLEM-LJISPDSOSA-N 2 2 285.432 0.140 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CNC[C@@H]2CCC[N@H+]2C)C[C@H](C)O1 ZINC000521996142 411825737 /nfs/dbraw/zinc/82/57/37/411825737.db2.gz SAKYVKDUKLKLEM-LJISPDSOSA-N 2 2 285.432 0.140 20 0 CCADLP O[C@@H]1CC[N@@H+](C2CN(c3cc(NC4CC4)[nH+]cn3)C2)C1 ZINC000651449566 411875045 /nfs/dbraw/zinc/87/50/45/411875045.db2.gz MSKZEJOEWDJYLG-GFCCVEGCSA-N 2 2 275.356 0.306 20 0 CCADLP O[C@@H]1CC[N@H+](C2CN(c3cc(NC4CC4)[nH+]cn3)C2)C1 ZINC000651449566 411875051 /nfs/dbraw/zinc/87/50/51/411875051.db2.gz MSKZEJOEWDJYLG-GFCCVEGCSA-N 2 2 275.356 0.306 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)NCCC1(C[NH3+])CC1 ZINC000652197123 412000416 /nfs/dbraw/zinc/00/04/16/412000416.db2.gz ORLCBGRHIOYVNX-UHFFFAOYSA-N 2 2 265.361 0.831 20 0 CCADLP [NH3+]CC1(CCNC(=O)N2CCn3c[nH+]cc3C2)CC1 ZINC000652233774 412015021 /nfs/dbraw/zinc/01/50/21/412015021.db2.gz HAFUFYKZOWZRQS-UHFFFAOYSA-N 2 2 263.345 0.537 20 0 CCADLP COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000651937545 411963591 /nfs/dbraw/zinc/96/35/91/411963591.db2.gz NOPVUHCRDANNGF-QWHCGFSZSA-N 2 2 261.325 0.916 20 0 CCADLP COC[C@@H]1C[C@@H](O)C[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000651937545 411963595 /nfs/dbraw/zinc/96/35/95/411963595.db2.gz NOPVUHCRDANNGF-QWHCGFSZSA-N 2 2 261.325 0.916 20 0 CCADLP Cc1cc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)nn1C ZINC000652341432 412031194 /nfs/dbraw/zinc/03/11/94/412031194.db2.gz OZMGUKGGZWLKJW-AWEZNQCLSA-N 2 2 289.387 0.616 20 0 CCADLP Cc1cc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)nn1C ZINC000652341432 412031197 /nfs/dbraw/zinc/03/11/97/412031197.db2.gz OZMGUKGGZWLKJW-AWEZNQCLSA-N 2 2 289.387 0.616 20 0 CCADLP C[C@H](CC(=O)N[C@H]1CCC[N@H+](CCCO)C1)n1cc[nH+]c1 ZINC000652390524 412045617 /nfs/dbraw/zinc/04/56/17/412045617.db2.gz SZCNZKGJWQYVBB-KGLIPLIRSA-N 2 2 294.399 0.797 20 0 CCADLP C[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(=O)Nc1ccccc1 ZINC000653089998 412214512 /nfs/dbraw/zinc/21/45/12/412214512.db2.gz BCIDXCLTPLEDIB-AAEUAGOBSA-N 2 2 292.383 0.409 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC000653094117 412215097 /nfs/dbraw/zinc/21/50/97/412215097.db2.gz XMZIRYDNUWRGAQ-DTWKUNHWSA-N 2 2 283.294 0.055 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653052230 412202340 /nfs/dbraw/zinc/20/23/40/412202340.db2.gz YEOQVYVZTGXEMF-GFCCVEGCSA-N 2 2 264.373 0.861 20 0 CCADLP COc1cccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000653057792 412205320 /nfs/dbraw/zinc/20/53/20/412205320.db2.gz QSDUPLZTKJRSFC-ZDUSSCGKSA-N 2 2 265.357 0.590 20 0 CCADLP CCCc1nnc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)s1 ZINC000653060737 412205516 /nfs/dbraw/zinc/20/55/16/412205516.db2.gz PWEXCMUPALUDFU-MRVPVSSYSA-N 2 2 271.390 0.708 20 0 CCADLP COCCN(Cc1ccccc1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653058516 412205573 /nfs/dbraw/zinc/20/55/73/412205573.db2.gz WYPCJKTUFXFWAD-HNNXBMFYSA-N 2 2 293.411 0.941 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H](CO)Cc1ccccc1 ZINC000653069657 412208866 /nfs/dbraw/zinc/20/88/66/412208866.db2.gz WGXQCNDWUUHBRW-CABCVRRESA-N 2 2 293.411 0.233 20 0 CCADLP C[C@@H](COCC(F)(F)F)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653081113 412211410 /nfs/dbraw/zinc/21/14/10/412211410.db2.gz CECVFIVYNPBDLD-IUCAKERBSA-N 2 2 285.310 0.349 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H]1CNc2ccccc2C1 ZINC000653210628 412260069 /nfs/dbraw/zinc/26/00/69/412260069.db2.gz CYJHVXBDIVCWDK-CHWSQXEVSA-N 2 2 276.384 0.418 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@]1(C)CCCC[C@H]1O ZINC000653095307 412216069 /nfs/dbraw/zinc/21/60/69/412216069.db2.gz FWCISUXJGDZHIG-OUCADQQQSA-N 2 2 271.405 0.323 20 0 CCADLP C[C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)Oc1cccc(F)c1 ZINC000653096180 412217228 /nfs/dbraw/zinc/21/72/28/412217228.db2.gz FVYNDBCIRBFQAD-RISCZKNCSA-N 2 2 297.374 0.988 20 0 CCADLP CC(C)C[NH+]1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653106203 412219792 /nfs/dbraw/zinc/21/97/92/412219792.db2.gz XBUBMLXHRZQMCG-CYBMUJFWSA-N 3 2 270.421 0.066 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC[NH+]1CCCCCC1 ZINC000653109666 412222196 /nfs/dbraw/zinc/22/21/96/412222196.db2.gz JBEWYYDXYGHVDF-ZDUSSCGKSA-N 3 2 270.421 0.258 20 0 CCADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653112665 412224324 /nfs/dbraw/zinc/22/43/24/412224324.db2.gz GAHRXSKBXRSECY-LXTVHRRPSA-N 3 2 298.475 0.748 20 0 CCADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653112665 412224328 /nfs/dbraw/zinc/22/43/28/412224328.db2.gz GAHRXSKBXRSECY-LXTVHRRPSA-N 3 2 298.475 0.748 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000653124221 412231297 /nfs/dbraw/zinc/23/12/97/412231297.db2.gz UWVAYAAKTMDCKN-CQSZACIVSA-N 3 2 291.399 0.009 20 0 CCADLP CN1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)c2ccc(F)cc21 ZINC000653123651 412231591 /nfs/dbraw/zinc/23/15/91/412231591.db2.gz CBRQGLJJMLJTEJ-GFCCVEGCSA-N 2 2 294.374 0.888 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653123483 412232371 /nfs/dbraw/zinc/23/23/71/412232371.db2.gz ZTGRLZCXUAXTCV-KBPBESRZSA-N 3 2 284.448 0.456 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653123483 412232375 /nfs/dbraw/zinc/23/23/75/412232375.db2.gz ZTGRLZCXUAXTCV-KBPBESRZSA-N 3 2 284.448 0.456 20 0 CCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C)C[C@@H]1C ZINC000653122515 412233049 /nfs/dbraw/zinc/23/30/49/412233049.db2.gz YFLXMWMXFHSVQX-IHRRRGAJSA-N 3 2 284.448 0.597 20 0 CCADLP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C)C[C@@H]1C ZINC000653122515 412233053 /nfs/dbraw/zinc/23/30/53/412233053.db2.gz YFLXMWMXFHSVQX-IHRRRGAJSA-N 3 2 284.448 0.597 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000653128653 412233786 /nfs/dbraw/zinc/23/37/86/412233786.db2.gz QSFUUVAPQJVZEC-VXGBXAGGSA-N 2 2 276.384 0.958 20 0 CCADLP Cc1ccc(O)c(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000653134444 412236027 /nfs/dbraw/zinc/23/60/27/412236027.db2.gz ZZSKECTZQUCLSQ-JTQLQIEISA-N 2 2 251.330 0.918 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)NCC1=CC[NH2+]CC1 ZINC000653131063 412236111 /nfs/dbraw/zinc/23/61/11/412236111.db2.gz XCZLHCHIADZHSS-UHFFFAOYSA-N 2 2 274.368 0.798 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653134738 412237718 /nfs/dbraw/zinc/23/77/18/412237718.db2.gz JKASEKDYMFZLBP-DGCLKSJQSA-N 2 2 276.384 0.876 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCNc2ccccc21 ZINC000653141354 412239518 /nfs/dbraw/zinc/23/95/18/412239518.db2.gz FMRDLJAHVBZFPF-NSHDSACASA-N 2 2 262.357 0.724 20 0 CCADLP Cc1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c(=O)[nH]1 ZINC000653150678 412242832 /nfs/dbraw/zinc/24/28/32/412242832.db2.gz KONGQUZJIOADLT-SECBINFHSA-N 2 2 252.318 0.313 20 0 CCADLP C[C@@H](CN(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C)c1nccs1 ZINC000653151704 412243680 /nfs/dbraw/zinc/24/36/80/412243680.db2.gz PJVXTLGOQHQTSB-QWRGUYRKSA-N 2 2 284.429 0.984 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000653158200 412246465 /nfs/dbraw/zinc/24/64/65/412246465.db2.gz XIUQPGRDKGWNGY-WUHRBBMRSA-N 2 2 281.400 0.339 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCOC2(CCCC2)C1 ZINC000653168877 412250838 /nfs/dbraw/zinc/25/08/38/412250838.db2.gz SLXFDFPNZHHOOS-LBPRGKRZSA-N 2 2 269.389 0.437 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](n2ccnc2)C1 ZINC000653547545 412315365 /nfs/dbraw/zinc/31/53/65/412315365.db2.gz OWHVGYKWHWYBSG-CABCVRRESA-N 2 2 296.415 0.459 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](n2ccnc2)C1 ZINC000653547545 412315368 /nfs/dbraw/zinc/31/53/68/412315368.db2.gz OWHVGYKWHWYBSG-CABCVRRESA-N 2 2 296.415 0.459 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000653547545 412315370 /nfs/dbraw/zinc/31/53/70/412315370.db2.gz OWHVGYKWHWYBSG-CABCVRRESA-N 2 2 296.415 0.459 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000653547545 412315371 /nfs/dbraw/zinc/31/53/71/412315371.db2.gz OWHVGYKWHWYBSG-CABCVRRESA-N 2 2 296.415 0.459 20 0 CCADLP CN(C)C(=O)CCC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000653556017 412318171 /nfs/dbraw/zinc/31/81/71/412318171.db2.gz JMRQYDWVDDUONJ-UHFFFAOYSA-N 2 2 279.388 0.396 20 0 CCADLP O=S1(=O)CC[C@H](CC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)C1 ZINC000653644729 412329421 /nfs/dbraw/zinc/32/94/21/412329421.db2.gz IRDSHXQUUQVCRM-LBPRGKRZSA-N 2 2 298.412 0.357 20 0 CCADLP Cc1nn(C)cc1C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000653643979 412329773 /nfs/dbraw/zinc/32/97/73/412329773.db2.gz FPFNVDZXJHHZJT-UHFFFAOYSA-N 2 2 260.345 0.774 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000654745203 412435653 /nfs/dbraw/zinc/43/56/53/412435653.db2.gz ONNDMIVAFHMULO-VXGBXAGGSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000654745203 412435655 /nfs/dbraw/zinc/43/56/55/412435655.db2.gz ONNDMIVAFHMULO-VXGBXAGGSA-N 2 2 280.372 0.113 20 0 CCADLP CC1(C)C[NH+](CC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000654392166 412392080 /nfs/dbraw/zinc/39/20/80/412392080.db2.gz LXKOMZAGQBYEMA-AWEZNQCLSA-N 2 2 295.427 0.651 20 0 CCADLP COCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CC(C)(C)C2)C1 ZINC000654748534 412436310 /nfs/dbraw/zinc/43/63/10/412436310.db2.gz GAJAOBQWIGGNIM-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP COCC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CC(C)(C)C2)C1 ZINC000654748534 412436315 /nfs/dbraw/zinc/43/63/15/412436315.db2.gz GAJAOBQWIGGNIM-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000654707683 412431813 /nfs/dbraw/zinc/43/18/13/412431813.db2.gz KGGRDJNUUZLMDL-UHFFFAOYSA-N 2 2 276.344 0.108 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000659449475 413511122 /nfs/dbraw/zinc/51/11/22/413511122.db2.gz GANMRMQZIPQLFD-NSHDSACASA-N 2 2 272.393 0.004 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000659449475 413511129 /nfs/dbraw/zinc/51/11/29/413511129.db2.gz GANMRMQZIPQLFD-NSHDSACASA-N 2 2 272.393 0.004 20 0 CCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N[C@H]1CC[NH2+]C1 ZINC000659471934 413530594 /nfs/dbraw/zinc/53/05/94/413530594.db2.gz CXJGZOZYBGHTMF-NWDGAFQWSA-N 2 2 275.356 0.321 20 0 CCADLP O=C(NCC[C@H]1CC[NH2+]C1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659513235 413575329 /nfs/dbraw/zinc/57/53/29/413575329.db2.gz HICGZPGNXHMOPN-ZIAGYGMSSA-N 2 2 296.415 0.102 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000659534863 413619305 /nfs/dbraw/zinc/61/93/05/413619305.db2.gz BMIVJZOBPQMJNS-VHSXEESVSA-N 2 2 251.334 0.821 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000659534863 413619311 /nfs/dbraw/zinc/61/93/11/413619311.db2.gz BMIVJZOBPQMJNS-VHSXEESVSA-N 2 2 251.334 0.821 20 0 CCADLP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262982922 287270067 /nfs/dbraw/zinc/27/00/67/287270067.db2.gz MVMLUJAVUDIQAG-MNOVXSKESA-N 2 2 275.343 0.974 20 0 CCADLP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262982922 287270069 /nfs/dbraw/zinc/27/00/69/287270069.db2.gz MVMLUJAVUDIQAG-MNOVXSKESA-N 2 2 275.343 0.974 20 0 CCADLP C[C@H](NC(=O)N1CC[C@](C)(C[NH3+])C1)c1[nH+]ccn1C ZINC000659627339 413724024 /nfs/dbraw/zinc/72/40/24/413724024.db2.gz HIWZYKOLBVJIBF-GXFFZTMASA-N 2 2 265.361 0.861 20 0 CCADLP C[C@H](NC(=O)N1CC[NH2+][C@H](C)C1)c1[nH+]ccn1C ZINC000659628535 413724750 /nfs/dbraw/zinc/72/47/50/413724750.db2.gz QOEUTCWFCAKYMC-ZJUUUORDSA-N 2 2 251.334 0.484 20 0 CCADLP C[C@H](NC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)c1[nH+]ccn1C ZINC000659627287 413725294 /nfs/dbraw/zinc/72/52/94/413725294.db2.gz GZEQHKNWFONRRT-MXWKQRLJSA-N 2 2 265.361 0.873 20 0 CCADLP C[C@@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(=O)[nH]n1 ZINC000285509050 196307500 /nfs/dbraw/zinc/30/75/00/196307500.db2.gz DEFFZQFUKYBTAC-JHJVBQTASA-N 2 2 294.399 0.920 20 0 CCADLP Cc1cc[nH+]c(N2CC[NH+](C[C@@H]3CNC(=O)C3)CC2)c1 ZINC000660014429 414058666 /nfs/dbraw/zinc/05/86/66/414058666.db2.gz LMIPRSOAHYWICN-ZDUSSCGKSA-N 2 2 274.368 0.648 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285721905 196377353 /nfs/dbraw/zinc/37/73/53/196377353.db2.gz QFJCFYIMLUZFQC-LLVKDONJSA-N 2 2 296.371 0.617 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285721905 196377354 /nfs/dbraw/zinc/37/73/54/196377354.db2.gz QFJCFYIMLUZFQC-LLVKDONJSA-N 2 2 296.371 0.617 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285721905 196377356 /nfs/dbraw/zinc/37/73/56/196377356.db2.gz QFJCFYIMLUZFQC-LLVKDONJSA-N 2 2 296.371 0.617 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285721905 196377358 /nfs/dbraw/zinc/37/73/58/196377358.db2.gz QFJCFYIMLUZFQC-LLVKDONJSA-N 2 2 296.371 0.617 20 0 CCADLP NS(=O)(=O)c1ccc(OCC[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000037399897 173177657 /nfs/dbraw/zinc/17/76/57/173177657.db2.gz YUVHLSXFRDTWMS-UHFFFAOYSA-N 2 2 299.396 0.008 20 0 CCADLP NS(=O)(=O)c1ccc(OCC[N@H+]2CCC[NH2+]CC2)cc1 ZINC000037399897 173177658 /nfs/dbraw/zinc/17/76/58/173177658.db2.gz YUVHLSXFRDTWMS-UHFFFAOYSA-N 2 2 299.396 0.008 20 0 CCADLP CCC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000037537064 173256070 /nfs/dbraw/zinc/25/60/70/173256070.db2.gz XCYWQSFPWVFHLF-UHFFFAOYSA-N 2 2 255.406 0.783 20 0 CCADLP CCC[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000037537064 173256072 /nfs/dbraw/zinc/25/60/72/173256072.db2.gz XCYWQSFPWVFHLF-UHFFFAOYSA-N 2 2 255.406 0.783 20 0 CCADLP CO[C@H](C[NH+]1CCN(c2[nH+]ccn2C)CC1)[C@H]1CCOC1 ZINC000660114679 414120630 /nfs/dbraw/zinc/12/06/30/414120630.db2.gz YLVTXYVDJBSLLV-UONOGXRCSA-N 2 2 294.399 0.594 20 0 CCADLP Cc1cc[nH+]cc1N1CC[NH+](C[C@@H]2CNC(=O)C2)CC1 ZINC000660464962 414339231 /nfs/dbraw/zinc/33/92/31/414339231.db2.gz HEXMBZHCEVQZKY-ZDUSSCGKSA-N 2 2 274.368 0.648 20 0 CCADLP CCN(C)C(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660472772 414342037 /nfs/dbraw/zinc/34/20/37/414342037.db2.gz MHBFAYOEMUCXBV-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP CCN(C)C(=O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660472772 414342045 /nfs/dbraw/zinc/34/20/45/414342045.db2.gz MHBFAYOEMUCXBV-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](CCCO)Cc1ccccn1 ZINC000660455743 414331693 /nfs/dbraw/zinc/33/16/93/414331693.db2.gz CAFYILOKZWRBAE-INIZCTEOSA-N 2 2 295.427 0.967 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](CCCO)Cc1ccccn1 ZINC000660455743 414331701 /nfs/dbraw/zinc/33/17/01/414331701.db2.gz CAFYILOKZWRBAE-INIZCTEOSA-N 2 2 295.427 0.967 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](CCCO)Cc1ccccn1 ZINC000660455743 414331707 /nfs/dbraw/zinc/33/17/07/414331707.db2.gz CAFYILOKZWRBAE-INIZCTEOSA-N 2 2 295.427 0.967 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](CCCO)Cc1ccccn1 ZINC000660455743 414331713 /nfs/dbraw/zinc/33/17/13/414331713.db2.gz CAFYILOKZWRBAE-INIZCTEOSA-N 2 2 295.427 0.967 20 0 CCADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)NC1CCOCC1)C2 ZINC000660660054 414435294 /nfs/dbraw/zinc/43/52/94/414435294.db2.gz SZSYONXZSLKNGM-MRXNPFEDSA-N 2 2 295.427 0.699 20 0 CCADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)NC1CCOCC1)C2 ZINC000660660054 414435298 /nfs/dbraw/zinc/43/52/98/414435298.db2.gz SZSYONXZSLKNGM-MRXNPFEDSA-N 2 2 295.427 0.699 20 0 CCADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC(=O)NC1CCOCC1)C2 ZINC000660660054 414435304 /nfs/dbraw/zinc/43/53/04/414435304.db2.gz SZSYONXZSLKNGM-MRXNPFEDSA-N 2 2 295.427 0.699 20 0 CCADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC(=O)NC1CCOCC1)C2 ZINC000660660054 414435309 /nfs/dbraw/zinc/43/53/09/414435309.db2.gz SZSYONXZSLKNGM-MRXNPFEDSA-N 2 2 295.427 0.699 20 0 CCADLP CCOC[C@@H](O)C[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660695128 414446356 /nfs/dbraw/zinc/44/63/56/414446356.db2.gz NKAHDPVXYNTPAO-AWEZNQCLSA-N 2 2 288.432 0.456 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[N@H+](CCO)C[C@@H]2C)C[C@@H](C)O1 ZINC000660759367 414476199 /nfs/dbraw/zinc/47/61/99/414476199.db2.gz GISCNVVHCXRCGC-RRFJBIMHSA-N 2 2 285.432 0.094 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)NCCn2cc[nH+]c2)C1 ZINC000660819868 414490808 /nfs/dbraw/zinc/49/08/08/414490808.db2.gz LHGZDJAGOWBUEJ-GFCCVEGCSA-N 2 2 265.361 0.667 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)NCCn2cc[nH+]c2)C1 ZINC000660819868 414490811 /nfs/dbraw/zinc/49/08/11/414490811.db2.gz LHGZDJAGOWBUEJ-GFCCVEGCSA-N 2 2 265.361 0.667 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660843651 414501891 /nfs/dbraw/zinc/50/18/91/414501891.db2.gz GZYAJGXUIFNKQK-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H]1CCO ZINC000661489440 414634140 /nfs/dbraw/zinc/63/41/40/414634140.db2.gz PIYMHRNZPHZSOL-ZIAGYGMSSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H]1CCO ZINC000661489440 414634145 /nfs/dbraw/zinc/63/41/45/414634145.db2.gz PIYMHRNZPHZSOL-ZIAGYGMSSA-N 2 2 283.416 0.243 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cc(F)ccc1F ZINC000038031122 174024544 /nfs/dbraw/zinc/02/45/44/174024544.db2.gz GJUGQVLRUYPBLW-UHFFFAOYSA-N 2 2 283.322 0.828 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cc(F)ccc1F ZINC000038031122 174024546 /nfs/dbraw/zinc/02/45/46/174024546.db2.gz GJUGQVLRUYPBLW-UHFFFAOYSA-N 2 2 283.322 0.828 20 0 CCADLP C[C@@H](c1ccccn1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031059 174025176 /nfs/dbraw/zinc/02/51/76/174025176.db2.gz AMWZJQHWFXFFQG-LBPRGKRZSA-N 2 2 262.357 0.506 20 0 CCADLP C[C@@H](c1ccccn1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031059 174025178 /nfs/dbraw/zinc/02/51/78/174025178.db2.gz AMWZJQHWFXFFQG-LBPRGKRZSA-N 2 2 262.357 0.506 20 0 CCADLP CCC[C@H](C)NC(=O)[C@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031580 174025897 /nfs/dbraw/zinc/02/58/97/174025897.db2.gz KUPDRQSXVGYMQF-STQMWFEESA-N 2 2 298.431 0.043 20 0 CCADLP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031580 174025899 /nfs/dbraw/zinc/02/58/99/174025899.db2.gz KUPDRQSXVGYMQF-STQMWFEESA-N 2 2 298.431 0.043 20 0 CCADLP CCCCCNC(=O)[C@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031558 174025963 /nfs/dbraw/zinc/02/59/63/174025963.db2.gz GNSYRHCOKKNQSI-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CCCCCNC(=O)[C@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031558 174025965 /nfs/dbraw/zinc/02/59/65/174025965.db2.gz GNSYRHCOKKNQSI-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP C[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000040419292 174256880 /nfs/dbraw/zinc/25/68/80/174256880.db2.gz JJQVLUQIROUYGW-UHFFFAOYSA-N 2 2 277.368 0.354 20 0 CCADLP Cn1cc(C[C@H]2CC[N@H+](C[C@@H]3C[NH2+]CCO3)C2)cn1 ZINC000662262741 414702820 /nfs/dbraw/zinc/70/28/20/414702820.db2.gz JEDJAENPWBBZBK-OCCSQVGLSA-N 2 2 264.373 0.273 20 0 CCADLP Cn1cc(C[C@H]2CC[N@@H+](C[C@@H]3C[NH2+]CCO3)C2)cn1 ZINC000662262741 414702821 /nfs/dbraw/zinc/70/28/21/414702821.db2.gz JEDJAENPWBBZBK-OCCSQVGLSA-N 2 2 264.373 0.273 20 0 CCADLP CN(C)c1noc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)n1 ZINC000662273005 414703702 /nfs/dbraw/zinc/70/37/02/414703702.db2.gz JGVYIXUQCCCCTN-NSHDSACASA-N 2 2 295.387 0.323 20 0 CCADLP CN(C)c1noc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)n1 ZINC000662273005 414703703 /nfs/dbraw/zinc/70/37/03/414703703.db2.gz JGVYIXUQCCCCTN-NSHDSACASA-N 2 2 295.387 0.323 20 0 CCADLP c1cc(C[NH+]2CCN(C[C@H]3C[NH2+]CCO3)CC2)ccn1 ZINC000662276331 414704619 /nfs/dbraw/zinc/70/46/19/414704619.db2.gz HJXISXMRHPIZEC-OAHLLOKOSA-N 2 2 276.384 0.188 20 0 CCADLP Fc1cccc(C[NH+]2CCN(C[C@@H]3C[NH2+]CCO3)CC2)c1 ZINC000662278211 414704657 /nfs/dbraw/zinc/70/46/57/414704657.db2.gz YMNTYBPDWDDNST-INIZCTEOSA-N 2 2 293.386 0.932 20 0 CCADLP Cn1nccc1[C@@H]1CCCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662284672 414706403 /nfs/dbraw/zinc/70/64/03/414706403.db2.gz ZIIXEBRPANJJTA-OCCSQVGLSA-N 2 2 264.373 0.936 20 0 CCADLP CCc1cccc(C[N@H+](CC[NH3+])C[C@H](O)CO)c1 ZINC000662287946 414706997 /nfs/dbraw/zinc/70/69/97/414706997.db2.gz KTILNMVLVFETFO-AWEZNQCLSA-N 2 2 252.358 0.363 20 0 CCADLP CCc1cccc(C[N@@H+](CC[NH3+])C[C@H](O)CO)c1 ZINC000662287946 414706998 /nfs/dbraw/zinc/70/69/98/414706998.db2.gz KTILNMVLVFETFO-AWEZNQCLSA-N 2 2 252.358 0.363 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC3(COC3)C2)CC1 ZINC000662075746 414689795 /nfs/dbraw/zinc/68/97/95/414689795.db2.gz JZXSMKYPVRMLAW-CYBMUJFWSA-N 2 2 281.400 0.261 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC3(COC3)C2)CC1 ZINC000662075746 414689796 /nfs/dbraw/zinc/68/97/96/414689796.db2.gz JZXSMKYPVRMLAW-CYBMUJFWSA-N 2 2 281.400 0.261 20 0 CCADLP Nc1cc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)ccn1 ZINC000662152369 414693529 /nfs/dbraw/zinc/69/35/29/414693529.db2.gz SNVRICRUYNRYEO-AWEZNQCLSA-N 2 2 276.384 0.695 20 0 CCADLP Nc1cc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)ccn1 ZINC000662152369 414693530 /nfs/dbraw/zinc/69/35/30/414693530.db2.gz SNVRICRUYNRYEO-AWEZNQCLSA-N 2 2 276.384 0.695 20 0 CCADLP C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662160184 414694964 /nfs/dbraw/zinc/69/49/64/414694964.db2.gz MWOMXJMXKPKXPL-GXTWGEPZSA-N 2 2 297.443 0.821 20 0 CCADLP C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662160184 414694965 /nfs/dbraw/zinc/69/49/65/414694965.db2.gz MWOMXJMXKPKXPL-GXTWGEPZSA-N 2 2 297.443 0.821 20 0 CCADLP CNS(=O)(=O)c1ccc(C[N@H+](C)[C@@H](C)C[NH3+])cc1 ZINC000662244278 414699017 /nfs/dbraw/zinc/69/90/17/414699017.db2.gz LRVKRISJLICKGH-JTQLQIEISA-N 2 2 271.386 0.374 20 0 CCADLP CNS(=O)(=O)c1ccc(C[N@@H+](C)[C@@H](C)C[NH3+])cc1 ZINC000662244278 414699018 /nfs/dbraw/zinc/69/90/18/414699018.db2.gz LRVKRISJLICKGH-JTQLQIEISA-N 2 2 271.386 0.374 20 0 CCADLP CCCC(=O)NC[C@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662255670 414700736 /nfs/dbraw/zinc/70/07/36/414700736.db2.gz ZYPWGESHPFKJTF-ZIAGYGMSSA-N 2 2 283.416 0.603 20 0 CCADLP CCCC(=O)NC[C@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662255670 414700737 /nfs/dbraw/zinc/70/07/37/414700737.db2.gz ZYPWGESHPFKJTF-ZIAGYGMSSA-N 2 2 283.416 0.603 20 0 CCADLP C[C@H]([NH3+])C(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000662741089 414751526 /nfs/dbraw/zinc/75/15/26/414751526.db2.gz CFTKHVJMDSRUDK-DZGCQCFKSA-N 2 2 290.411 0.266 20 0 CCADLP C[C@H]([NH3+])C(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000662741089 414751529 /nfs/dbraw/zinc/75/15/29/414751529.db2.gz CFTKHVJMDSRUDK-DZGCQCFKSA-N 2 2 290.411 0.266 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000662377305 414712783 /nfs/dbraw/zinc/71/27/83/414712783.db2.gz VUPURUGJTMTDHH-ZDUSSCGKSA-N 2 2 292.383 0.532 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000662378577 414712800 /nfs/dbraw/zinc/71/28/00/414712800.db2.gz AMZMZOFQYUPZRZ-ZDUSSCGKSA-N 2 2 292.383 0.532 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000662507607 414724233 /nfs/dbraw/zinc/72/42/33/414724233.db2.gz VGCJUHALLBPMKY-RWMBFGLXSA-N 2 2 274.368 0.904 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000662530036 414725972 /nfs/dbraw/zinc/72/59/72/414725972.db2.gz KULDSUYQCVGWAM-IHRRRGAJSA-N 2 2 283.416 0.744 20 0 CCADLP C[C@@H](C[NH3+])C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000662622396 414733735 /nfs/dbraw/zinc/73/37/35/414733735.db2.gz CKFCAZMNCFSRKR-NSHDSACASA-N 2 2 262.357 0.893 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)c2csc(C[NH3+])n2)[C@@H](C)CO1 ZINC000662629470 414734680 /nfs/dbraw/zinc/73/46/80/414734680.db2.gz GDKNGPFHTSHQPB-VHSXEESVSA-N 2 2 298.412 0.441 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)c2csc(C[NH3+])n2)[C@@H](C)CO1 ZINC000662629470 414734681 /nfs/dbraw/zinc/73/46/81/414734681.db2.gz GDKNGPFHTSHQPB-VHSXEESVSA-N 2 2 298.412 0.441 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)c2ccnc(C[NH3+])c2)[C@@H](C)CO1 ZINC000662632277 414735098 /nfs/dbraw/zinc/73/50/98/414735098.db2.gz ZSFUPDLTSPJMBZ-NWDGAFQWSA-N 2 2 292.383 0.379 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)c2ccnc(C[NH3+])c2)[C@@H](C)CO1 ZINC000662632277 414735099 /nfs/dbraw/zinc/73/50/99/414735099.db2.gz ZSFUPDLTSPJMBZ-NWDGAFQWSA-N 2 2 292.383 0.379 20 0 CCADLP CC(C)[NH2+]CC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662633252 414735356 /nfs/dbraw/zinc/73/53/56/414735356.db2.gz JRKSIRJZSBSQEV-NWDGAFQWSA-N 2 2 257.378 0.210 20 0 CCADLP CC(C)[NH2+]CC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662633252 414735357 /nfs/dbraw/zinc/73/53/57/414735357.db2.gz JRKSIRJZSBSQEV-NWDGAFQWSA-N 2 2 257.378 0.210 20 0 CCADLP CC1(C)CC[NH2+][C@H]1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000662665449 414738771 /nfs/dbraw/zinc/73/87/71/414738771.db2.gz KSWGTMKLMQIKDT-KBPBESRZSA-N 2 2 295.427 0.698 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000662666857 414738993 /nfs/dbraw/zinc/73/89/93/414738993.db2.gz WJYCTOONMHZLDK-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP [NH3+]CC1(CC(=O)N(CC[NH+]2CCOCC2)CC2CC2)CC1 ZINC000662705652 414744097 /nfs/dbraw/zinc/74/40/97/414744097.db2.gz PIYAOJIKWCIEJX-UHFFFAOYSA-N 2 2 295.427 0.686 20 0 CCADLP Cc1cn2cc(NC(=O)[C@H]3CCO[C@@H]3C[NH3+])ccc2[nH+]1 ZINC000662712387 414745338 /nfs/dbraw/zinc/74/53/38/414745338.db2.gz RVSWWVGDFZHXDG-NWDGAFQWSA-N 2 2 274.324 0.945 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662716905 414746004 /nfs/dbraw/zinc/74/60/04/414746004.db2.gz JVZLZFZDIZDEIO-UHFFFAOYSA-N 2 2 263.301 0.532 20 0 CCADLP C[C@H](NC(=O)[C@@H]1[NH2+]CCC1(C)C)[C@H](C)[NH+]1CCOCC1 ZINC000662720462 414746293 /nfs/dbraw/zinc/74/62/93/414746293.db2.gz DUFAKOSPYPWYDG-AVGNSLFASA-N 2 2 283.416 0.600 20 0 CCADLP Cc1cccn2cc(CNC(=O)[C@@H]3CCO[C@@H]3C[NH3+])[nH+]c12 ZINC000662726936 414746892 /nfs/dbraw/zinc/74/68/92/414746892.db2.gz KKMSHNPQDBAMMA-CHWSQXEVSA-N 2 2 288.351 0.623 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662788550 414794175 /nfs/dbraw/zinc/79/41/75/414794175.db2.gz LRUZYFBAXMDAHJ-UHFFFAOYSA-N 2 2 281.400 0.439 20 0 CCADLP Cc1cc(CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])cc(C)[nH+]1 ZINC000662818075 414816275 /nfs/dbraw/zinc/81/62/75/414816275.db2.gz OBOVQIVNJUCJRM-OLZOCXBDSA-N 2 2 263.341 0.678 20 0 CCADLP C[C@H]1CC[NH2+][C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000662858295 414850250 /nfs/dbraw/zinc/85/02/50/414850250.db2.gz XGMRHPNHPWKXKY-KBPBESRZSA-N 3 2 284.448 0.374 20 0 CCADLP C[C@H]1CC[NH2+][C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000662858295 414850260 /nfs/dbraw/zinc/85/02/60/414850260.db2.gz XGMRHPNHPWKXKY-KBPBESRZSA-N 3 2 284.448 0.374 20 0 CCADLP C[C@@H](NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)c1[nH+]ccn1C ZINC000662934414 414904892 /nfs/dbraw/zinc/90/48/92/414904892.db2.gz NZDPPDIKUAWBSV-NXEZZACHSA-N 2 2 288.355 0.711 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899916 414879492 /nfs/dbraw/zinc/87/94/92/414879492.db2.gz HVXBVHFCWXXRNG-GJZGRUSLSA-N 3 2 296.459 0.611 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899916 414879494 /nfs/dbraw/zinc/87/94/94/414879494.db2.gz HVXBVHFCWXXRNG-GJZGRUSLSA-N 3 2 296.459 0.611 20 0 CCADLP CN(C(=O)[C@H]1C[C@H]([NH3+])C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899110 414881010 /nfs/dbraw/zinc/88/10/10/414881010.db2.gz BHNDZOIVWWSQNA-YDHLFZDLSA-N 3 2 294.443 0.351 20 0 CCADLP CN(C(=O)[C@H]1C[C@H]([NH3+])C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899110 414881014 /nfs/dbraw/zinc/88/10/14/414881014.db2.gz BHNDZOIVWWSQNA-YDHLFZDLSA-N 3 2 294.443 0.351 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H]([NH3+])COC(C)C ZINC000662901890 414882641 /nfs/dbraw/zinc/88/26/41/414882641.db2.gz KMHUJPXOMBSYCS-QWRGUYRKSA-N 2 2 268.361 0.833 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662903226 414883128 /nfs/dbraw/zinc/88/31/28/414883128.db2.gz XNEDWVSIIKNLHM-HBNTYKKESA-N 2 2 266.345 0.444 20 0 CCADLP O=C([C@@H]1CCCC[NH2+]1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662912302 414887251 /nfs/dbraw/zinc/88/72/51/414887251.db2.gz YHHNWIYFMFUXQE-HNNXBMFYSA-N 2 2 295.427 0.699 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1C[NH2+]CCC1(F)F)c1[nH+]ccn1C ZINC000662933168 414902752 /nfs/dbraw/zinc/90/27/52/414902752.db2.gz HXOXLOPKGIPCRQ-BDAKNGLRSA-N 2 2 272.299 0.842 20 0 CCADLP c1cc(N[C@H]2CC[N@@H+](C3CC3)C2)nc(N2CCOCC2)[nH+]1 ZINC000663424946 415062230 /nfs/dbraw/zinc/06/22/30/415062230.db2.gz KLQJUZBDLDUEMW-LBPRGKRZSA-N 2 2 289.383 0.962 20 0 CCADLP c1cc(N[C@H]2CC[N@H+](C3CC3)C2)nc(N2CCOCC2)[nH+]1 ZINC000663424946 415062232 /nfs/dbraw/zinc/06/22/32/415062232.db2.gz KLQJUZBDLDUEMW-LBPRGKRZSA-N 2 2 289.383 0.962 20 0 CCADLP c1cncc(C[NH2+]CCC[NH2+]C[C@]23C[C@H]2C[NH2+]C3)c1 ZINC000663494064 415075674 /nfs/dbraw/zinc/07/56/74/415075674.db2.gz LSXQUORDTVMSBS-GJZGRUSLSA-N 3 2 260.385 0.760 20 0 CCADLP COc1c(N)[nH+]cnc1N1CCCC[C@@H]1CC[NH3+] ZINC000663240177 415026654 /nfs/dbraw/zinc/02/66/54/415026654.db2.gz ZEQISBYEDZSQTK-SECBINFHSA-N 2 2 251.334 0.775 20 0 CCADLP COc1c(N)nc[nH+]c1N1CCCC[C@@H]1CC[NH3+] ZINC000663240177 415026657 /nfs/dbraw/zinc/02/66/57/415026657.db2.gz ZEQISBYEDZSQTK-SECBINFHSA-N 2 2 251.334 0.775 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[C@@H](F)[C@H]([NH3+])C2)nc[nH+]1 ZINC000663277386 415034111 /nfs/dbraw/zinc/03/41/11/415034111.db2.gz ZGGGNZVPFDIJQE-IVZWLZJFSA-N 2 2 269.324 0.145 20 0 CCADLP C[C@H]1C[C@@H]1CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000663717733 415119973 /nfs/dbraw/zinc/11/99/73/415119973.db2.gz VHHUUXXYCKGPDB-QWHCGFSZSA-N 2 2 270.421 0.825 20 0 CCADLP C[C@H]1C[C@@H]1CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000663717733 415119976 /nfs/dbraw/zinc/11/99/76/415119976.db2.gz VHHUUXXYCKGPDB-QWHCGFSZSA-N 2 2 270.421 0.825 20 0 CCADLP Cn1ccnc1CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000663973560 415188998 /nfs/dbraw/zinc/18/89/98/415188998.db2.gz BIQQLXHHBFBQFD-UHFFFAOYSA-N 2 2 296.419 0.103 20 0 CCADLP Cn1ccnc1CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000663973560 415189007 /nfs/dbraw/zinc/18/90/07/415189007.db2.gz BIQQLXHHBFBQFD-UHFFFAOYSA-N 2 2 296.419 0.103 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044529562 175194473 /nfs/dbraw/zinc/19/44/73/175194473.db2.gz VDWMNHRQWSXOIO-JTQLQIEISA-N 2 2 270.377 0.281 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044529562 175194474 /nfs/dbraw/zinc/19/44/74/175194474.db2.gz VDWMNHRQWSXOIO-JTQLQIEISA-N 2 2 270.377 0.281 20 0 CCADLP COc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000044530931 175195272 /nfs/dbraw/zinc/19/52/72/175195272.db2.gz BKPUEVZMGQWVQM-AWEZNQCLSA-N 2 2 291.395 0.982 20 0 CCADLP COc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000044530931 175195274 /nfs/dbraw/zinc/19/52/74/175195274.db2.gz BKPUEVZMGQWVQM-AWEZNQCLSA-N 2 2 291.395 0.982 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000044763743 175247977 /nfs/dbraw/zinc/24/79/77/175247977.db2.gz MVVOUXVPQHHALB-GFCCVEGCSA-N 2 2 271.405 0.588 20 0 CCADLP C[C@H](CCNc1[nH+]cnc2c1OCCN2)[NH+](C)C ZINC000664246884 415299941 /nfs/dbraw/zinc/29/99/41/415299941.db2.gz ZIUNSJCPMOKTSP-SECBINFHSA-N 2 2 251.334 0.146 20 0 CCADLP C[C@H](CCNc1nc[nH+]c2c1OCCN2)[NH+](C)C ZINC000664246884 415299946 /nfs/dbraw/zinc/29/99/46/415299946.db2.gz ZIUNSJCPMOKTSP-SECBINFHSA-N 2 2 251.334 0.146 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1nccs1 ZINC000664330269 415344750 /nfs/dbraw/zinc/34/47/50/415344750.db2.gz IKRRKILXESXFEZ-UHFFFAOYSA-N 2 2 270.402 0.756 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1nccs1 ZINC000664330269 415344755 /nfs/dbraw/zinc/34/47/55/415344755.db2.gz IKRRKILXESXFEZ-UHFFFAOYSA-N 2 2 270.402 0.756 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC(C)(F)F ZINC000664961753 415499970 /nfs/dbraw/zinc/49/99/70/415499970.db2.gz CSKWHNSSXBMQDX-UHFFFAOYSA-N 2 2 280.363 0.824 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC(C)(F)F ZINC000664961753 415499980 /nfs/dbraw/zinc/49/99/80/415499980.db2.gz CSKWHNSSXBMQDX-UHFFFAOYSA-N 2 2 280.363 0.824 20 0 CCADLP C[C@H](CCNC(=O)NCC1([NH+]2CCOCC2)CC1)[NH+](C)C ZINC000664760052 415466598 /nfs/dbraw/zinc/46/65/98/415466598.db2.gz PYKGUMSSXDKNOP-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP Cc1cc(C)c(CNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000665065600 415528300 /nfs/dbraw/zinc/52/83/00/415528300.db2.gz GBQYGVHKVCAASP-KBPBESRZSA-N 2 2 292.383 0.515 20 0 CCADLP C[NH+](C)C(C)(C)CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000665358373 415622958 /nfs/dbraw/zinc/62/29/58/415622958.db2.gz DZAMGKIHIOIHBI-JTQLQIEISA-N 2 2 264.373 0.971 20 0 CCADLP C[NH+](C)C(C)(C)CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000665358373 415622968 /nfs/dbraw/zinc/62/29/68/415622968.db2.gz DZAMGKIHIOIHBI-JTQLQIEISA-N 2 2 264.373 0.971 20 0 CCADLP Cc1cncc(CC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)n1 ZINC000665274238 415584346 /nfs/dbraw/zinc/58/43/46/415584346.db2.gz MEXZNQXFGCANGQ-GJZGRUSLSA-N 2 2 276.384 0.684 20 0 CCADLP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000665282335 415585558 /nfs/dbraw/zinc/58/55/58/415585558.db2.gz VXYFPOQZASGEHJ-RDBSUJKOSA-N 3 2 255.406 0.716 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)[C@@H](C)C1 ZINC000665290521 415585974 /nfs/dbraw/zinc/58/59/74/415585974.db2.gz BZTGONRXOHQCHH-CMPLNLGQSA-N 3 2 279.388 0.461 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)[C@@H](C)C1 ZINC000665290521 415585977 /nfs/dbraw/zinc/58/59/77/415585977.db2.gz BZTGONRXOHQCHH-CMPLNLGQSA-N 3 2 279.388 0.461 20 0 CCADLP Cc1cc(N2CCC[N@H+](CCO)CC2)nc(C)[nH+]1 ZINC000071349760 176133577 /nfs/dbraw/zinc/13/35/77/176133577.db2.gz JVXVRPAPCKAAJT-UHFFFAOYSA-N 2 2 250.346 0.598 20 0 CCADLP Cc1cc(N2CCC[N@@H+](CCO)CC2)nc(C)[nH+]1 ZINC000071349760 176133578 /nfs/dbraw/zinc/13/35/78/176133578.db2.gz JVXVRPAPCKAAJT-UHFFFAOYSA-N 2 2 250.346 0.598 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000683980178 545593477 /nfs/dbraw/zinc/59/34/77/545593477.db2.gz URBGNZIBCVMYHN-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000683980178 545593481 /nfs/dbraw/zinc/59/34/81/545593481.db2.gz URBGNZIBCVMYHN-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP COc1ncccc1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000037894063 544423406 /nfs/dbraw/zinc/42/34/06/544423406.db2.gz KVAXPAVPOAIGPI-ZDUSSCGKSA-N 2 2 265.357 0.637 20 0 CCADLP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000333845720 228216751 /nfs/dbraw/zinc/21/67/51/228216751.db2.gz WENURNOAFGGYQT-OLZOCXBDSA-N 2 2 296.415 0.291 20 0 CCADLP COC1CC[NH+](CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC000079670288 544476485 /nfs/dbraw/zinc/47/64/85/544476485.db2.gz OXWULTPBDOFMSB-UHFFFAOYSA-N 2 2 280.372 0.500 20 0 CCADLP [NH3+]C1(CC(=O)N2CC[NH+](Cc3ccccn3)CC2)CCC1 ZINC000094294428 544544062 /nfs/dbraw/zinc/54/40/62/544544062.db2.gz YJUXOLPYTQFKPV-UHFFFAOYSA-N 2 2 288.395 0.997 20 0 CCADLP CN(C)c1nc(NC[C@@H]2COCC[N@@H+]2C)cc[nH+]1 ZINC000624619843 419424519 /nfs/dbraw/zinc/42/45/19/419424519.db2.gz NMPMODQBOYHJRT-SNVBAGLBSA-N 2 2 251.334 0.285 20 0 CCADLP CN(C)c1nc(NC[C@@H]2COCC[N@H+]2C)cc[nH+]1 ZINC000624619843 419424526 /nfs/dbraw/zinc/42/45/26/419424526.db2.gz NMPMODQBOYHJRT-SNVBAGLBSA-N 2 2 251.334 0.285 20 0 CCADLP C[N@@H+]1CCC[C@@H]([NH2+]CC(C)(C)N2CCOCC2)C1 ZINC000134240825 544630185 /nfs/dbraw/zinc/63/01/85/544630185.db2.gz QGRIZDZKVOJNKB-CYBMUJFWSA-N 2 2 255.406 0.781 20 0 CCADLP C[N@H+]1CCC[C@@H]([NH2+]CC(C)(C)N2CCOCC2)C1 ZINC000134240825 544630188 /nfs/dbraw/zinc/63/01/88/544630188.db2.gz QGRIZDZKVOJNKB-CYBMUJFWSA-N 2 2 255.406 0.781 20 0 CCADLP COc1c(N)[nH+]cnc1N1CCC([NH+](C)C)CC1 ZINC000134830471 544631905 /nfs/dbraw/zinc/63/19/05/544631905.db2.gz UNWFTJVHAFZKMW-UHFFFAOYSA-N 2 2 251.334 0.598 20 0 CCADLP COc1c(N)nc[nH+]c1N1CCC([NH+](C)C)CC1 ZINC000134830471 544631908 /nfs/dbraw/zinc/63/19/08/544631908.db2.gz UNWFTJVHAFZKMW-UHFFFAOYSA-N 2 2 251.334 0.598 20 0 CCADLP CCc1nn(C)cc1CN1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000168873611 544731868 /nfs/dbraw/zinc/73/18/68/544731868.db2.gz FMQNQXXZLZQAJW-LBPRGKRZSA-N 2 2 251.378 0.057 20 0 CCADLP CCc1nn(C)cc1CN1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000168873611 544731874 /nfs/dbraw/zinc/73/18/74/544731874.db2.gz FMQNQXXZLZQAJW-LBPRGKRZSA-N 2 2 251.378 0.057 20 0 CCADLP C[N@@H+]1CCN(Cc2ccc3c(c2)OCCO3)[C@@H](C[NH3+])C1 ZINC000226608999 544831808 /nfs/dbraw/zinc/83/18/08/544831808.db2.gz VBJVPWIGBLKUKF-ZDUSSCGKSA-N 2 2 277.368 0.533 20 0 CCADLP C[N@H+]1CCN(Cc2ccc3c(c2)OCCO3)[C@@H](C[NH3+])C1 ZINC000226608999 544831812 /nfs/dbraw/zinc/83/18/12/544831812.db2.gz VBJVPWIGBLKUKF-ZDUSSCGKSA-N 2 2 277.368 0.533 20 0 CCADLP C[C@@H]1C[NH+](CCCNC(=O)c2ccc(C[NH3+])o2)C[C@@H](C)O1 ZINC000237506829 544894187 /nfs/dbraw/zinc/89/41/87/544894187.db2.gz ZFJCMUQASXXBDN-VXGBXAGGSA-N 2 2 295.383 0.967 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000246665959 544910583 /nfs/dbraw/zinc/91/05/83/544910583.db2.gz DVWXAWKFGIYWHW-CHWSQXEVSA-N 2 2 289.445 0.484 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000246665959 544910589 /nfs/dbraw/zinc/91/05/89/544910589.db2.gz DVWXAWKFGIYWHW-CHWSQXEVSA-N 2 2 289.445 0.484 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000246665959 544910592 /nfs/dbraw/zinc/91/05/92/544910592.db2.gz DVWXAWKFGIYWHW-CHWSQXEVSA-N 2 2 289.445 0.484 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000246665959 544910594 /nfs/dbraw/zinc/91/05/94/544910594.db2.gz DVWXAWKFGIYWHW-CHWSQXEVSA-N 2 2 289.445 0.484 20 0 CCADLP Cn1c[nH+]cc1C[NH2+][C@H](Cc1ccc(F)cc1)C(N)=O ZINC000290712305 544970603 /nfs/dbraw/zinc/97/06/03/544970603.db2.gz XOFFHHOEPNRVHB-CYBMUJFWSA-N 2 2 276.315 0.745 20 0 CCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[NH+](C2CC2)CC1 ZINC000334271529 275006015 /nfs/dbraw/zinc/00/60/15/275006015.db2.gz HGYLNGUOJSCHRX-GFCCVEGCSA-N 2 2 274.368 0.752 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](CCO)CC2CC2)CC1 ZINC000352458869 276190835 /nfs/dbraw/zinc/19/08/35/276190835.db2.gz PZOWSLCDMSMXHL-ZDUSSCGKSA-N 2 2 283.416 0.243 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](CCO)CC2CC2)CC1 ZINC000352458869 276190836 /nfs/dbraw/zinc/19/08/36/276190836.db2.gz PZOWSLCDMSMXHL-ZDUSSCGKSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)C[C@@H](C)O1 ZINC000420372611 287888443 /nfs/dbraw/zinc/88/84/43/287888443.db2.gz QGHAFOCWRJCXKN-XLFUENPSSA-N 2 2 283.416 0.598 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000334298511 277095855 /nfs/dbraw/zinc/09/58/55/277095855.db2.gz OCWIYRRTBSJNEJ-LBPRGKRZSA-N 2 2 276.384 0.998 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000334298511 277095856 /nfs/dbraw/zinc/09/58/56/277095856.db2.gz OCWIYRRTBSJNEJ-LBPRGKRZSA-N 2 2 276.384 0.998 20 0 CCADLP COC(=O)[C@@H]1CN(c2nc[nH+]c(N)c2Cl)CC[N@H+](C)C1 ZINC000413490856 277134868 /nfs/dbraw/zinc/13/48/68/277134868.db2.gz AOBAADBWOLGLJM-QMMMGPOBSA-N 2 2 299.762 0.253 20 0 CCADLP COC(=O)[C@@H]1CN(c2nc[nH+]c(N)c2Cl)CC[N@@H+](C)C1 ZINC000413490856 277134869 /nfs/dbraw/zinc/13/48/69/277134869.db2.gz AOBAADBWOLGLJM-QMMMGPOBSA-N 2 2 299.762 0.253 20 0 CCADLP C[N@@H+]1CC[C@]2(CC[NH+](CCN3C(=O)NC(C)(C)C3=O)C2)C1 ZINC000368319318 277185680 /nfs/dbraw/zinc/18/56/80/277185680.db2.gz WURIOIVAKFNNEY-HNNXBMFYSA-N 2 2 294.399 0.344 20 0 CCADLP C[N@H+]1CC[C@]2(CC[NH+](CCN3C(=O)NC(C)(C)C3=O)C2)C1 ZINC000368319318 277185682 /nfs/dbraw/zinc/18/56/82/277185682.db2.gz WURIOIVAKFNNEY-HNNXBMFYSA-N 2 2 294.399 0.344 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@H+](CCN3C(=O)NC(C)(C)C3=O)C2)C1 ZINC000368319318 277185684 /nfs/dbraw/zinc/18/56/84/277185684.db2.gz WURIOIVAKFNNEY-HNNXBMFYSA-N 2 2 294.399 0.344 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@@H+](CCN3C(=O)NC(C)(C)C3=O)C2)C1 ZINC000368319318 277185686 /nfs/dbraw/zinc/18/56/86/277185686.db2.gz WURIOIVAKFNNEY-HNNXBMFYSA-N 2 2 294.399 0.344 20 0 CCADLP CNC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000361653520 277231353 /nfs/dbraw/zinc/23/13/53/277231353.db2.gz IVRXCYCEQHNECC-MNOVXSKESA-N 2 2 250.346 0.875 20 0 CCADLP COC[C@@H](O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000179480678 277249536 /nfs/dbraw/zinc/24/95/36/277249536.db2.gz OIQCLTBFLJWLGY-AVGNSLFASA-N 2 2 253.346 0.773 20 0 CCADLP COC[C@@H](O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000179480678 277249537 /nfs/dbraw/zinc/24/95/37/277249537.db2.gz OIQCLTBFLJWLGY-AVGNSLFASA-N 2 2 253.346 0.773 20 0 CCADLP COC[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000452091609 277265940 /nfs/dbraw/zinc/26/59/40/277265940.db2.gz SZUQKXNAFKESKG-AWEZNQCLSA-N 2 2 283.416 0.509 20 0 CCADLP COC[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000452091609 277265942 /nfs/dbraw/zinc/26/59/42/277265942.db2.gz SZUQKXNAFKESKG-AWEZNQCLSA-N 2 2 283.416 0.509 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377196781 277273607 /nfs/dbraw/zinc/27/36/07/277273607.db2.gz JTJMALISWMSCQP-OLZOCXBDSA-N 3 2 282.432 0.127 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377196781 277273608 /nfs/dbraw/zinc/27/36/08/277273608.db2.gz JTJMALISWMSCQP-OLZOCXBDSA-N 3 2 282.432 0.127 20 0 CCADLP CO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369279482 277275148 /nfs/dbraw/zinc/27/51/48/277275148.db2.gz XJHAGXCPOYUWBV-RYUDHWBXSA-N 2 2 269.389 0.306 20 0 CCADLP CO[C@@H](C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369279482 277275149 /nfs/dbraw/zinc/27/51/49/277275149.db2.gz XJHAGXCPOYUWBV-RYUDHWBXSA-N 2 2 269.389 0.306 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346988537 277368616 /nfs/dbraw/zinc/36/86/16/277368616.db2.gz RFWJKCDYMXANOE-TUAOUCFPSA-N 2 2 256.346 0.248 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000346988537 277368617 /nfs/dbraw/zinc/36/86/17/277368617.db2.gz RFWJKCDYMXANOE-TUAOUCFPSA-N 2 2 256.346 0.248 20 0 CCADLP C[C@@H](C(=O)NC[C@H]1C[NH+]2CCN1CC2)[NH+]1CCCCCC1 ZINC000178785879 278208821 /nfs/dbraw/zinc/20/88/21/278208821.db2.gz PKWNSSYFXDZITH-GJZGRUSLSA-N 2 2 294.443 0.367 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000252951153 278217296 /nfs/dbraw/zinc/21/72/96/278217296.db2.gz DNKOQAPPJJIWDX-XJFOESAGSA-N 2 2 256.390 0.894 20 0 CCADLP C[C@@H](CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C)[NH+](C)C ZINC000455426129 278274199 /nfs/dbraw/zinc/27/41/99/278274199.db2.gz FMJVHKOHHQLIBR-MELADBBJSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000334523232 278365419 /nfs/dbraw/zinc/36/54/19/278365419.db2.gz QGEUISBWJJPAPW-NSHDSACASA-N 2 2 250.346 0.895 20 0 CCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000334523232 278365422 /nfs/dbraw/zinc/36/54/22/278365422.db2.gz QGEUISBWJJPAPW-NSHDSACASA-N 2 2 250.346 0.895 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000422746934 278373136 /nfs/dbraw/zinc/37/31/36/278373136.db2.gz XOJWBUHAMISSQJ-HOCLYGCPSA-N 3 2 282.476 0.848 20 0 CCADLP C[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)C1C[NH2+]C1 ZINC000422692588 278385127 /nfs/dbraw/zinc/38/51/27/278385127.db2.gz KKQYAFHXFKFGMH-RISCZKNCSA-N 2 2 259.353 0.989 20 0 CCADLP C[C@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CC[N@@H+]1CC(C)(C)O ZINC000493146594 278391247 /nfs/dbraw/zinc/39/12/47/278391247.db2.gz HFSMKJNXXSUQSH-ITKZLYELSA-N 2 2 292.383 0.727 20 0 CCADLP C[C@H]1CN(C(=O)/C=C/c2[nH]cc[nH+]2)CC[N@H+]1CC(C)(C)O ZINC000493146594 278391249 /nfs/dbraw/zinc/39/12/49/278391249.db2.gz HFSMKJNXXSUQSH-ITKZLYELSA-N 2 2 292.383 0.727 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000262699803 278965599 /nfs/dbraw/zinc/96/55/99/278965599.db2.gz GYLXCUYSXBIHIV-NFAWXSAZSA-N 2 2 283.416 0.683 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CC(=O)N2CCCC[C@H]12 ZINC000337800053 288092198 /nfs/dbraw/zinc/09/21/98/288092198.db2.gz GGVVCCONWROEIR-MROQNXINSA-N 2 2 251.374 0.680 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CC(=O)N2CCCC[C@H]12 ZINC000337800053 288092199 /nfs/dbraw/zinc/09/21/99/288092199.db2.gz GGVVCCONWROEIR-MROQNXINSA-N 2 2 251.374 0.680 20 0 CCADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)c2nnnn2C)C1 ZINC000346414708 279110788 /nfs/dbraw/zinc/11/07/88/279110788.db2.gz QGMDSKPVOOCLCO-OLZOCXBDSA-N 2 2 296.419 0.704 20 0 CCADLP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)c2nnnn2C)C1 ZINC000346414708 279110791 /nfs/dbraw/zinc/11/07/91/279110791.db2.gz QGMDSKPVOOCLCO-OLZOCXBDSA-N 2 2 296.419 0.704 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N2C[C@H]3OCC[NH+](C)[C@H]3C2)CCC[N@@H+]1C ZINC000344256553 279122051 /nfs/dbraw/zinc/12/20/51/279122051.db2.gz QGEPMJUANQZLAG-YIYPIFLZSA-N 2 2 296.415 0.194 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N2C[C@H]3OCC[NH+](C)[C@H]3C2)CCC[N@H+]1C ZINC000344256553 279122052 /nfs/dbraw/zinc/12/20/52/279122052.db2.gz QGEPMJUANQZLAG-YIYPIFLZSA-N 2 2 296.415 0.194 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)CCC[NH+]1C ZINC000344256553 279122053 /nfs/dbraw/zinc/12/20/53/279122053.db2.gz QGEPMJUANQZLAG-YIYPIFLZSA-N 2 2 296.415 0.194 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)CCC[NH+]1C ZINC000344256553 279122054 /nfs/dbraw/zinc/12/20/54/279122054.db2.gz QGEPMJUANQZLAG-YIYPIFLZSA-N 2 2 296.415 0.194 20 0 CCADLP C[C@@]1(C[NH+]2CCN(c3ncc(F)cn3)CC2)CC[NH2+]C1 ZINC000261912142 279159313 /nfs/dbraw/zinc/15/93/13/279159313.db2.gz YNPLACGQWDXURP-CQSZACIVSA-N 2 2 279.363 0.737 20 0 CCADLP CC(C)C[C@H]([NH3+])C[NH+]1CCC2(COC(=O)N2)CC1 ZINC000496350055 279179076 /nfs/dbraw/zinc/17/90/76/279179076.db2.gz VQMMAHYKMMTVNF-NSHDSACASA-N 2 2 255.362 0.934 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000414705741 279179493 /nfs/dbraw/zinc/17/94/93/279179493.db2.gz XIZROKJOTJHUTK-RYUDHWBXSA-N 2 2 277.434 0.360 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000414705741 279179494 /nfs/dbraw/zinc/17/94/94/279179494.db2.gz XIZROKJOTJHUTK-RYUDHWBXSA-N 2 2 277.434 0.360 20 0 CCADLP CC(C)N(C(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1)C(C)C ZINC000313389077 279278350 /nfs/dbraw/zinc/27/83/50/279278350.db2.gz MIJLCVKGXIEGJR-ZDUSSCGKSA-N 2 2 271.405 0.681 20 0 CCADLP CC(C)N(C(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1)C(C)C ZINC000313389077 279278352 /nfs/dbraw/zinc/27/83/52/279278352.db2.gz MIJLCVKGXIEGJR-ZDUSSCGKSA-N 2 2 271.405 0.681 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000091510471 279318264 /nfs/dbraw/zinc/31/82/64/279318264.db2.gz ZMCDOYIWDVNREN-CABCVRRESA-N 2 2 267.417 0.877 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000342161215 279346476 /nfs/dbraw/zinc/34/64/76/279346476.db2.gz VEZZLPMIGNUNAR-MELADBBJSA-N 2 2 281.400 0.402 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000342161215 279346478 /nfs/dbraw/zinc/34/64/78/279346478.db2.gz VEZZLPMIGNUNAR-MELADBBJSA-N 2 2 281.400 0.402 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)N(C)C)CCN1C1CC[NH+](C)CC1 ZINC000355030768 288136554 /nfs/dbraw/zinc/13/65/54/288136554.db2.gz LZKSYWJLUHVKII-CYBMUJFWSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)N(C)C)CCN1C1CC[NH+](C)CC1 ZINC000355030768 288136555 /nfs/dbraw/zinc/13/65/55/288136555.db2.gz LZKSYWJLUHVKII-CYBMUJFWSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)[C@@H]2CC[NH+](C3CC3)C2)CCO1 ZINC000337261162 288167234 /nfs/dbraw/zinc/16/72/34/288167234.db2.gz XRMHPDRCAHXARH-UKRRQHHQSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)[C@@H]2CC[NH+](C3CC3)C2)CCO1 ZINC000337261162 288167238 /nfs/dbraw/zinc/16/72/38/288167238.db2.gz XRMHPDRCAHXARH-UKRRQHHQSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1C[NH+](CCN(C)[C@@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC000337261162 288167241 /nfs/dbraw/zinc/16/72/41/288167241.db2.gz XRMHPDRCAHXARH-UKRRQHHQSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1C[NH+](CCN(C)[C@@H]2CC[N@H+](C3CC3)C2)CCO1 ZINC000337261162 288167244 /nfs/dbraw/zinc/16/72/44/288167244.db2.gz XRMHPDRCAHXARH-UKRRQHHQSA-N 2 2 267.417 0.876 20 0 CCADLP CC[C@H]1C(=O)NCC[N@H+]1C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420296393 288177994 /nfs/dbraw/zinc/17/79/94/288177994.db2.gz DMARLSYBVVGQLD-HIFRSBDPSA-N 2 2 291.395 0.948 20 0 CCADLP CC[C@H]1C(=O)NCC[N@@H+]1C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420296393 288177995 /nfs/dbraw/zinc/17/79/95/288177995.db2.gz DMARLSYBVVGQLD-HIFRSBDPSA-N 2 2 291.395 0.948 20 0 CCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000347715740 280011645 /nfs/dbraw/zinc/01/16/45/280011645.db2.gz KBJYVKXAWQVBSD-CABCVRRESA-N 2 2 297.443 0.753 20 0 CCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000347715740 280011649 /nfs/dbraw/zinc/01/16/49/280011649.db2.gz KBJYVKXAWQVBSD-CABCVRRESA-N 2 2 297.443 0.753 20 0 CCADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000178763846 280117364 /nfs/dbraw/zinc/11/73/64/280117364.db2.gz XEFBUBPZGUFRKZ-VXGBXAGGSA-N 2 2 271.405 0.587 20 0 CCADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000178763846 280117369 /nfs/dbraw/zinc/11/73/69/280117369.db2.gz XEFBUBPZGUFRKZ-VXGBXAGGSA-N 2 2 271.405 0.587 20 0 CCADLP CC(C)[C@H](C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000400552574 280254170 /nfs/dbraw/zinc/25/41/70/280254170.db2.gz YFGUVVJAWQMMPL-XHSDSOJGSA-N 3 2 282.476 0.989 20 0 CCADLP CC(C)[C@H]1C(=O)NCC[N@H+]1CCc1c[nH+]cn1C ZINC000289494024 280362585 /nfs/dbraw/zinc/36/25/85/280362585.db2.gz CSFBWNIDVIFIDX-LBPRGKRZSA-N 2 2 250.346 0.419 20 0 CCADLP CC(C)[C@H]1C(=O)NCC[N@@H+]1CCc1c[nH+]cn1C ZINC000289494024 280362587 /nfs/dbraw/zinc/36/25/87/280362587.db2.gz CSFBWNIDVIFIDX-LBPRGKRZSA-N 2 2 250.346 0.419 20 0 CCADLP CC1(C)C[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2CCO)CO1 ZINC000418061796 281357977 /nfs/dbraw/zinc/35/79/77/281357977.db2.gz AXXOOLZUISPHHI-QWHCGFSZSA-N 2 2 256.390 0.990 20 0 CCADLP CC1(C)C[C@H]([NH2+]C[C@H]2CCCC[N@H+]2CCO)CO1 ZINC000418061796 281357979 /nfs/dbraw/zinc/35/79/79/281357979.db2.gz AXXOOLZUISPHHI-QWHCGFSZSA-N 2 2 256.390 0.990 20 0 CCADLP CC1(C)NC(=O)CC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449397147 281390501 /nfs/dbraw/zinc/39/05/01/281390501.db2.gz OLUFSYSEGRPKOR-QWHCGFSZSA-N 2 2 283.416 0.480 20 0 CCADLP CC1(C)NC(=O)CC[C@H]1[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449397147 281390507 /nfs/dbraw/zinc/39/05/07/281390507.db2.gz OLUFSYSEGRPKOR-QWHCGFSZSA-N 2 2 283.416 0.480 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418501366 289611688 /nfs/dbraw/zinc/61/16/88/289611688.db2.gz RAADFRPPRFJQJY-YPMHNXCESA-N 2 2 284.404 0.086 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC000266273666 290092347 /nfs/dbraw/zinc/09/23/47/290092347.db2.gz YBOBLZTUIZSJOF-STQMWFEESA-N 2 2 280.372 0.187 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC000266273666 290092350 /nfs/dbraw/zinc/09/23/50/290092350.db2.gz YBOBLZTUIZSJOF-STQMWFEESA-N 2 2 280.372 0.187 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]CCCS(N)(=O)=O)[C@@H]1c1ccccc1 ZINC000289307991 290218123 /nfs/dbraw/zinc/21/81/23/290218123.db2.gz AYOVXJSAGIRFMM-KBPBESRZSA-N 2 2 297.424 0.700 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]CCCS(N)(=O)=O)[C@@H]1c1ccccc1 ZINC000289307991 290218127 /nfs/dbraw/zinc/21/81/27/290218127.db2.gz AYOVXJSAGIRFMM-KBPBESRZSA-N 2 2 297.424 0.700 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000449343028 297110493 /nfs/dbraw/zinc/11/04/93/297110493.db2.gz HEGXDCXZYLMJND-RBSFLKMASA-N 2 2 295.427 0.555 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000430881999 297126972 /nfs/dbraw/zinc/12/69/72/297126972.db2.gz GPDSZSVUFROUDT-UKRRQHHQSA-N 2 2 291.395 0.566 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000430881999 297126974 /nfs/dbraw/zinc/12/69/74/297126974.db2.gz GPDSZSVUFROUDT-UKRRQHHQSA-N 2 2 291.395 0.566 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCSC[C@H]1CO ZINC000388102141 545086320 /nfs/dbraw/zinc/08/63/20/545086320.db2.gz VMIDKDTZOVTNOB-VXGBXAGGSA-N 2 2 262.419 0.097 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCSC[C@H]1CO ZINC000388102141 545086321 /nfs/dbraw/zinc/08/63/21/545086321.db2.gz VMIDKDTZOVTNOB-VXGBXAGGSA-N 2 2 262.419 0.097 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCSC[C@H]1CO ZINC000388102141 545086322 /nfs/dbraw/zinc/08/63/22/545086322.db2.gz VMIDKDTZOVTNOB-VXGBXAGGSA-N 2 2 262.419 0.097 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCSC[C@H]1CO ZINC000388102141 545086323 /nfs/dbraw/zinc/08/63/23/545086323.db2.gz VMIDKDTZOVTNOB-VXGBXAGGSA-N 2 2 262.419 0.097 20 0 CCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428032628 298120444 /nfs/dbraw/zinc/12/04/44/298120444.db2.gz ONKIZRHEQPYXSJ-IJLUTSLNSA-N 2 2 296.415 0.683 20 0 CCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428032628 298120446 /nfs/dbraw/zinc/12/04/46/298120446.db2.gz ONKIZRHEQPYXSJ-IJLUTSLNSA-N 2 2 296.415 0.683 20 0 CCADLP C[C@H]1C[N@@H+]([C@H]2CCN(C)C2=O)CCN1C1CC[NH+](C)CC1 ZINC000343762153 300294271 /nfs/dbraw/zinc/29/42/71/300294271.db2.gz KMYMZRIKNBHWPA-ZFWWWQNUSA-N 2 2 294.443 0.317 20 0 CCADLP C[C@H]1C[N@H+]([C@H]2CCN(C)C2=O)CCN1C1CC[NH+](C)CC1 ZINC000343762153 300294273 /nfs/dbraw/zinc/29/42/73/300294273.db2.gz KMYMZRIKNBHWPA-ZFWWWQNUSA-N 2 2 294.443 0.317 20 0 CCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cocn1 ZINC000261971009 303372827 /nfs/dbraw/zinc/37/28/27/303372827.db2.gz IFWNFBFKHAAPTF-LBPRGKRZSA-N 2 2 266.345 0.494 20 0 CCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cocn1 ZINC000261971009 303372829 /nfs/dbraw/zinc/37/28/29/303372829.db2.gz IFWNFBFKHAAPTF-LBPRGKRZSA-N 2 2 266.345 0.494 20 0 CCADLP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000333890640 303401763 /nfs/dbraw/zinc/40/17/63/303401763.db2.gz YDHRMEQXGBIYKS-WCQYABFASA-N 2 2 277.372 0.926 20 0 CCADLP COC(=O)CC1(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)CC1 ZINC000576118849 327019689 /nfs/dbraw/zinc/01/96/89/327019689.db2.gz YYTOFKKLHWOBOE-UHFFFAOYSA-N 2 2 278.356 0.875 20 0 CCADLP C[C@@H]1CN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)C[C@H](C)[NH2+]1 ZINC000565832031 327030524 /nfs/dbraw/zinc/03/05/24/327030524.db2.gz NFICKWNPKBQZAP-OUAUKWLOSA-N 2 2 277.372 0.309 20 0 CCADLP C[C@@H](C(=O)NCC[N@@H+]1CCO[C@@H](C)C1)[NH+]1CC(C)C1 ZINC000584359450 329104171 /nfs/dbraw/zinc/10/41/71/329104171.db2.gz CHTNDHKZJJTFOF-STQMWFEESA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H](C(=O)NCC[N@H+]1CCO[C@@H](C)C1)[NH+]1CC(C)C1 ZINC000584359450 329104172 /nfs/dbraw/zinc/10/41/72/329104172.db2.gz CHTNDHKZJJTFOF-STQMWFEESA-N 2 2 269.389 0.164 20 0 CCADLP COC(=O)C[C@@]1([NH2+]Cc2c[nH+]c(C)n2C)CCOC1 ZINC000582797640 329209380 /nfs/dbraw/zinc/20/93/80/329209380.db2.gz VNBLKFZNTHMRGV-ZDUSSCGKSA-N 2 2 267.329 0.540 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000582909526 329287044 /nfs/dbraw/zinc/28/70/44/329287044.db2.gz OBRRUZIZHBJHLR-KBMXLJTQSA-N 3 2 281.444 0.906 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000582909526 329287045 /nfs/dbraw/zinc/28/70/45/329287045.db2.gz OBRRUZIZHBJHLR-KBMXLJTQSA-N 3 2 281.444 0.906 20 0 CCADLP C[NH2+]C[C@](C)(O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000582909526 329287046 /nfs/dbraw/zinc/28/70/46/329287046.db2.gz OBRRUZIZHBJHLR-KBMXLJTQSA-N 3 2 281.444 0.906 20 0 CCADLP C[NH2+]C[C@](C)(O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000582909526 329287047 /nfs/dbraw/zinc/28/70/47/329287047.db2.gz OBRRUZIZHBJHLR-KBMXLJTQSA-N 3 2 281.444 0.906 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]CC(=O)Nc1ccccc1)C1CC1 ZINC000583020170 329298517 /nfs/dbraw/zinc/29/85/17/329298517.db2.gz XMEYDDQSHMFSNI-AWEZNQCLSA-N 2 2 277.368 0.670 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]CC(=O)Nc1ccccc1)C1CC1 ZINC000583020170 329298519 /nfs/dbraw/zinc/29/85/19/329298519.db2.gz XMEYDDQSHMFSNI-AWEZNQCLSA-N 2 2 277.368 0.670 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1COC ZINC000395996698 329306172 /nfs/dbraw/zinc/30/61/72/329306172.db2.gz ICOUBCSAWRQPEU-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1COC ZINC000395996698 329306173 /nfs/dbraw/zinc/30/61/73/329306173.db2.gz ICOUBCSAWRQPEU-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1COC ZINC000395996698 329306174 /nfs/dbraw/zinc/30/61/74/329306174.db2.gz ICOUBCSAWRQPEU-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1COC ZINC000395996698 329306175 /nfs/dbraw/zinc/30/61/75/329306175.db2.gz ICOUBCSAWRQPEU-KBPBESRZSA-N 2 2 274.405 0.426 20 0 CCADLP COC(=O)c1nn(C)c(C)c1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000583061496 329309288 /nfs/dbraw/zinc/30/92/88/329309288.db2.gz QLKBYHTTXHIYFM-GFCCVEGCSA-N 2 2 294.399 0.947 20 0 CCADLP COC(=O)c1nn(C)c(C)c1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000583061496 329309289 /nfs/dbraw/zinc/30/92/89/329309289.db2.gz QLKBYHTTXHIYFM-GFCCVEGCSA-N 2 2 294.399 0.947 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000583751183 329473076 /nfs/dbraw/zinc/47/30/76/329473076.db2.gz HXDJSPPUKAOFFU-INIZCTEOSA-N 2 2 284.363 1.000 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3ccc(F)cc3)CCN2C1=O ZINC000575763715 335113524 /nfs/dbraw/zinc/11/35/24/335113524.db2.gz YRTRDDZDLKNXMY-CHWSQXEVSA-N 2 2 263.316 0.570 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3ccc(F)cc3)CCN2C1=O ZINC000575763715 335113525 /nfs/dbraw/zinc/11/35/25/335113525.db2.gz YRTRDDZDLKNXMY-CHWSQXEVSA-N 2 2 263.316 0.570 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)C23CCC[NH+]2CCC3)CCO1 ZINC000575790493 335115304 /nfs/dbraw/zinc/11/53/04/335115304.db2.gz BEQKTLKDMJPLIS-ZDUSSCGKSA-N 2 2 281.400 0.452 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)C23CCC[NH+]2CCC3)CCO1 ZINC000575790493 335115305 /nfs/dbraw/zinc/11/53/05/335115305.db2.gz BEQKTLKDMJPLIS-ZDUSSCGKSA-N 2 2 281.400 0.452 20 0 CCADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C[C@H](O)Cn1cccn1)CCC2 ZINC000575981486 335137645 /nfs/dbraw/zinc/13/76/45/335137645.db2.gz OIHAQTYNMDASPO-KBPBESRZSA-N 2 2 289.383 0.916 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCc2cn[nH]c2)C[C@@H](C)O1 ZINC000576271998 335180452 /nfs/dbraw/zinc/18/04/52/335180452.db2.gz NUVHPSSTHPULKZ-BZPMIXESSA-N 2 2 282.388 0.012 20 0 CCADLP Cc1cn2cc(NC(=O)NC[C@H]3C[NH2+]CCO3)ccc2[nH+]1 ZINC000565586505 334576305 /nfs/dbraw/zinc/57/63/05/334576305.db2.gz RZQKZAUYRGKFPM-GFCCVEGCSA-N 2 2 289.339 0.753 20 0 CCADLP CS(=O)(=O)CC1(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000576346327 335191881 /nfs/dbraw/zinc/19/18/81/335191881.db2.gz MSWCOEGGDKYGCC-RYUDHWBXSA-N 2 2 272.414 0.495 20 0 CCADLP CS(=O)(=O)CC1(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000576346327 335191882 /nfs/dbraw/zinc/19/18/82/335191882.db2.gz MSWCOEGGDKYGCC-RYUDHWBXSA-N 2 2 272.414 0.495 20 0 CCADLP COc1cc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)ccn1 ZINC000576861271 335256763 /nfs/dbraw/zinc/25/67/63/335256763.db2.gz RBNWXLDYNCQGBR-DZGCQCFKSA-N 2 2 277.368 0.947 20 0 CCADLP CC1CC[NH+](C[C@@H](O)C[NH2+]C[C@@](C)(O)C(F)(F)F)CC1 ZINC000576943963 335267534 /nfs/dbraw/zinc/26/75/34/335267534.db2.gz NNOBHVQEISMFTJ-NWDGAFQWSA-N 2 2 298.349 0.982 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000577001247 335276708 /nfs/dbraw/zinc/27/67/08/335276708.db2.gz ALRPZGDIPCIZFI-ZDUSSCGKSA-N 2 2 291.399 0.889 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000577001247 335276709 /nfs/dbraw/zinc/27/67/09/335276709.db2.gz ALRPZGDIPCIZFI-ZDUSSCGKSA-N 2 2 291.399 0.889 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCCSC2)[C@H](C[NH3+])C1 ZINC000577208058 335322731 /nfs/dbraw/zinc/32/27/31/335322731.db2.gz FCVVKEARNKNDBD-GHMZBOCLSA-N 2 2 272.418 0.166 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCCSC2)[C@H](C[NH3+])C1 ZINC000577208058 335322733 /nfs/dbraw/zinc/32/27/33/335322733.db2.gz FCVVKEARNKNDBD-GHMZBOCLSA-N 2 2 272.418 0.166 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000577230481 335327236 /nfs/dbraw/zinc/32/72/36/335327236.db2.gz ONOMXZBSQTUMOS-WDEREUQCSA-N 2 2 262.357 0.941 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000577230481 335327237 /nfs/dbraw/zinc/32/72/37/335327237.db2.gz ONOMXZBSQTUMOS-WDEREUQCSA-N 2 2 262.357 0.941 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000577230481 335327238 /nfs/dbraw/zinc/32/72/38/335327238.db2.gz ONOMXZBSQTUMOS-WDEREUQCSA-N 2 2 262.357 0.941 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000577230481 335327239 /nfs/dbraw/zinc/32/72/39/335327239.db2.gz ONOMXZBSQTUMOS-WDEREUQCSA-N 2 2 262.357 0.941 20 0 CCADLP C[C@@H](NC(=O)C1([NH3+])CCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000577369433 335343299 /nfs/dbraw/zinc/34/32/99/335343299.db2.gz COGJBLRQMRUWLN-GHMZBOCLSA-N 2 2 255.362 0.093 20 0 CCADLP CCC(CC)CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000577486147 335357413 /nfs/dbraw/zinc/35/74/13/335357413.db2.gz BVORBFVBYFPQKV-LBPRGKRZSA-N 2 2 256.394 0.707 20 0 CCADLP CCC(CC)CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000577486147 335357415 /nfs/dbraw/zinc/35/74/15/335357415.db2.gz BVORBFVBYFPQKV-LBPRGKRZSA-N 2 2 256.394 0.707 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCc2cc[nH]c(=O)c2C1)C1CC1 ZINC000577544920 335366887 /nfs/dbraw/zinc/36/68/87/335366887.db2.gz LTSLQDCTBKJGCF-CYBMUJFWSA-N 2 2 277.368 0.600 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCc2cc[nH]c(=O)c2C1)C1CC1 ZINC000577544920 335366888 /nfs/dbraw/zinc/36/68/88/335366888.db2.gz LTSLQDCTBKJGCF-CYBMUJFWSA-N 2 2 277.368 0.600 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCc2cc[nH]c(=O)c2C1)C1CC1 ZINC000577544920 335366890 /nfs/dbraw/zinc/36/68/90/335366890.db2.gz LTSLQDCTBKJGCF-CYBMUJFWSA-N 2 2 277.368 0.600 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCc2cc[nH]c(=O)c2C1)C1CC1 ZINC000577544920 335366892 /nfs/dbraw/zinc/36/68/92/335366892.db2.gz LTSLQDCTBKJGCF-CYBMUJFWSA-N 2 2 277.368 0.600 20 0 CCADLP O=C(NCC[C@@H]1CC[NH2+]C1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000577630582 335383007 /nfs/dbraw/zinc/38/30/07/335383007.db2.gz ODZJEIPNPSPTHD-NSHDSACASA-N 2 2 286.339 0.392 20 0 CCADLP Cn1cc[nH+]c1[C@H](NC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000577716582 335391772 /nfs/dbraw/zinc/39/17/72/335391772.db2.gz IBLGMUJPHLSZKC-GFCCVEGCSA-N 2 2 277.372 0.828 20 0 CCADLP O=S1(=O)CCC(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000577752545 335397575 /nfs/dbraw/zinc/39/75/75/335397575.db2.gz BCGUMOURIMJSFW-CQSZACIVSA-N 2 2 286.441 0.887 20 0 CCADLP O=S1(=O)CCC(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000577752545 335397576 /nfs/dbraw/zinc/39/75/76/335397576.db2.gz BCGUMOURIMJSFW-CQSZACIVSA-N 2 2 286.441 0.887 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000577995975 335451597 /nfs/dbraw/zinc/45/15/97/335451597.db2.gz FRDMTJMGYXPIJC-CYBMUJFWSA-N 2 2 278.356 0.064 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@@]2(C)CCOC2)C[C@@H](C)O1 ZINC000578232393 335589301 /nfs/dbraw/zinc/58/93/01/335589301.db2.gz QYQYBGWTXFJMBL-KBUPBQIOSA-N 2 2 286.416 0.473 20 0 CCADLP COc1cc[nH+]c(CN2C[C@H](O)[C@@H]([NH+](C)C)C2)c1 ZINC000579975175 335941516 /nfs/dbraw/zinc/94/15/16/335941516.db2.gz KMWYECQMEFZTLH-STQMWFEESA-N 2 2 251.330 0.197 20 0 CCADLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]CC2(O)CCC2)C1=O ZINC000581067646 336003277 /nfs/dbraw/zinc/00/32/77/336003277.db2.gz MGISWMJXWBFWFY-LBPRGKRZSA-N 2 2 292.383 0.416 20 0 CCADLP COCC[NH2+]C1CC[NH+](Cc2cnn(CCOC)c2)CC1 ZINC000581073147 336004499 /nfs/dbraw/zinc/00/44/99/336004499.db2.gz FLTKYVNPALTUJE-UHFFFAOYSA-N 2 2 296.415 0.730 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)[C@@H](C)C[N@@H+]1CCO ZINC000581140301 336014633 /nfs/dbraw/zinc/01/46/33/336014633.db2.gz LCWUQOBVCCNDAJ-OLZOCXBDSA-N 2 2 283.416 0.242 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)[C@@H](C)C[N@H+]1CCO ZINC000581140301 336014634 /nfs/dbraw/zinc/01/46/34/336014634.db2.gz LCWUQOBVCCNDAJ-OLZOCXBDSA-N 2 2 283.416 0.242 20 0 CCADLP CC1(C)C[NH+](CC(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000581420603 336074200 /nfs/dbraw/zinc/07/42/00/336074200.db2.gz JKNMBMOGCNHJDT-UHFFFAOYSA-N 2 2 251.374 0.635 20 0 CCADLP CCOC(=O)[C@](C)(O)C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000581862610 336153577 /nfs/dbraw/zinc/15/35/77/336153577.db2.gz LHQNPXUCFCLNNW-OUCADQQQSA-N 2 2 270.373 0.469 20 0 CCADLP CCOC(=O)[C@](C)(O)C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000581862610 336153578 /nfs/dbraw/zinc/15/35/78/336153578.db2.gz LHQNPXUCFCLNNW-OUCADQQQSA-N 2 2 270.373 0.469 20 0 CCADLP CCOC(=O)[C@](C)(O)C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000581862610 336153579 /nfs/dbraw/zinc/15/35/79/336153579.db2.gz LHQNPXUCFCLNNW-OUCADQQQSA-N 2 2 270.373 0.469 20 0 CCADLP CCOC(=O)[C@](C)(O)C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000581862610 336153581 /nfs/dbraw/zinc/15/35/81/336153581.db2.gz LHQNPXUCFCLNNW-OUCADQQQSA-N 2 2 270.373 0.469 20 0 CCADLP C[NH2+]CCSCC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000581882109 336158814 /nfs/dbraw/zinc/15/88/14/336158814.db2.gz DZJAMLFVMVIBLT-UHFFFAOYSA-N 2 2 297.424 0.876 20 0 CCADLP CC(C)(C)N1C[C@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1=O ZINC000581937918 336172580 /nfs/dbraw/zinc/17/25/80/336172580.db2.gz DLJFYXOIBMQOMH-UMVBOHGHSA-N 2 2 295.427 0.742 20 0 CCADLP CC[NH+]1CCN([C@H](C)CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000433356203 545095063 /nfs/dbraw/zinc/09/50/63/545095063.db2.gz RMEFKBQDWNHCBD-CYBMUJFWSA-N 2 2 293.415 0.485 20 0 CCADLP CC[NH+]1CCN([C@H](C)CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000433356203 545095064 /nfs/dbraw/zinc/09/50/64/545095064.db2.gz RMEFKBQDWNHCBD-CYBMUJFWSA-N 2 2 293.415 0.485 20 0 CCADLP C[C@@H]([NH3+])C1CCN(C(=O)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000428925807 534288846 /nfs/dbraw/zinc/28/88/46/534288846.db2.gz WUVSYWMTEYCIFV-NEPJUHHUSA-N 2 2 269.389 0.293 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H]1CCN(C)C(=O)C1 ZINC000424330278 534451927 /nfs/dbraw/zinc/45/19/27/534451927.db2.gz RRNXHOUIQPVUGT-YRGRVCCFSA-N 2 2 265.401 0.927 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H]1CCN(C)C(=O)C1 ZINC000424330278 534451930 /nfs/dbraw/zinc/45/19/30/534451930.db2.gz RRNXHOUIQPVUGT-YRGRVCCFSA-N 2 2 265.401 0.927 20 0 CCADLP CC(C)c1nc(N2C[C@H](O)[C@@H]([NH+](C)C)C2)nc(N(C)C)[nH+]1 ZINC000365818840 519865827 /nfs/dbraw/zinc/86/58/27/519865827.db2.gz VUSMYSQPAWWPAI-QWRGUYRKSA-N 2 2 294.403 0.172 20 0 CCADLP CC[NH+](CC)CCNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000356135433 520675205 /nfs/dbraw/zinc/67/52/05/520675205.db2.gz VLFVGRLZMFGTTG-ZDUSSCGKSA-N 2 2 286.420 0.348 20 0 CCADLP CC[NH+](CC)CCNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000356135433 520675210 /nfs/dbraw/zinc/67/52/10/520675210.db2.gz VLFVGRLZMFGTTG-ZDUSSCGKSA-N 2 2 286.420 0.348 20 0 CCADLP CC[NH+]1CCC([NH2+][C@H](C)CS(=O)(=O)CC)CC1 ZINC000163969469 521580401 /nfs/dbraw/zinc/58/04/01/521580401.db2.gz PWVSWJDEUIUZJD-LLVKDONJSA-N 2 2 262.419 0.884 20 0 CCADLP CC[NH+]1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000370318125 521661365 /nfs/dbraw/zinc/66/13/65/521661365.db2.gz WXMOEXVRGFEMKL-UHFFFAOYSA-N 2 2 281.400 0.405 20 0 CCADLP COC(=O)c1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c[nH]1 ZINC000357138035 521844535 /nfs/dbraw/zinc/84/45/35/521844535.db2.gz VVURQKFNHSFXQK-VXGBXAGGSA-N 2 2 263.341 0.843 20 0 CCADLP COC(=O)c1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c[nH]1 ZINC000357138035 521844543 /nfs/dbraw/zinc/84/45/43/521844543.db2.gz VVURQKFNHSFXQK-VXGBXAGGSA-N 2 2 263.341 0.843 20 0 CCADLP [NH3+]CCCCCCC(=O)NCC[NH+]1CCOCC1 ZINC000019510872 534598989 /nfs/dbraw/zinc/59/89/89/534598989.db2.gz GMZHGLLFBPDTRC-UHFFFAOYSA-N 2 2 257.378 0.344 20 0 CCADLP CN(C)c1ncc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000357117466 522344532 /nfs/dbraw/zinc/34/45/32/522344532.db2.gz INAWWEQXFAXBCR-OLZOCXBDSA-N 2 2 261.373 0.584 20 0 CCADLP CN(C)c1ncc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000357117466 522344544 /nfs/dbraw/zinc/34/45/44/522344544.db2.gz INAWWEQXFAXBCR-OLZOCXBDSA-N 2 2 261.373 0.584 20 0 CCADLP C[N@H+](CCC[NH+]1CCCC1)Cc1cc(=O)n2[nH]ccc2n1 ZINC000337284964 522750391 /nfs/dbraw/zinc/75/03/91/522750391.db2.gz ZMOQFDIISOEAHH-UHFFFAOYSA-N 2 2 289.383 0.940 20 0 CCADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(=O)n2[nH]ccc2n1 ZINC000337284964 522750397 /nfs/dbraw/zinc/75/03/97/522750397.db2.gz ZMOQFDIISOEAHH-UHFFFAOYSA-N 2 2 289.383 0.940 20 0 CCADLP CNC(=O)C[N@@H+]1CCCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000365893331 524072710 /nfs/dbraw/zinc/07/27/10/524072710.db2.gz OHTIPPZJYHMCBE-UHFFFAOYSA-N 2 2 288.355 0.216 20 0 CCADLP CNC(=O)C[N@H+]1CCCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000365893331 524072711 /nfs/dbraw/zinc/07/27/11/524072711.db2.gz OHTIPPZJYHMCBE-UHFFFAOYSA-N 2 2 288.355 0.216 20 0 CCADLP Cc1nc(N2CC[NH+](CC[C@H](C)O)CC2)cc[nH+]1 ZINC000450743475 534756655 /nfs/dbraw/zinc/75/66/55/534756655.db2.gz HLTCXIWWFRNBKI-NSHDSACASA-N 2 2 250.346 0.678 20 0 CCADLP C[C@@H](CCO)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369521569 524513672 /nfs/dbraw/zinc/51/36/72/524513672.db2.gz LUMTUZFEYQNNDK-QWHCGFSZSA-N 2 2 298.431 0.225 20 0 CCADLP C[C@@H](CCO)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369521569 524513682 /nfs/dbraw/zinc/51/36/82/524513682.db2.gz LUMTUZFEYQNNDK-QWHCGFSZSA-N 2 2 298.431 0.225 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000062854500 524960369 /nfs/dbraw/zinc/96/03/69/524960369.db2.gz YHMFGZVSIBTFSW-WCQYABFASA-N 2 2 250.346 0.778 20 0 CCADLP Cc1ccn2c(CN3CCO[C@H](C[NH3+])C3)c[nH+]c2c1 ZINC000357965904 525608519 /nfs/dbraw/zinc/60/85/19/525608519.db2.gz UCJHSSDQNGLXOE-CYBMUJFWSA-N 2 2 260.341 0.802 20 0 CCADLP O=C(NCC[N@H+]1CC=CCC1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000366130043 526300811 /nfs/dbraw/zinc/30/08/11/526300811.db2.gz QGHUSGCQJSLMLH-LBPRGKRZSA-N 2 2 289.383 0.828 20 0 CCADLP O=C(NCC[N@@H+]1CC=CCC1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000366130043 526300816 /nfs/dbraw/zinc/30/08/16/526300816.db2.gz QGHUSGCQJSLMLH-LBPRGKRZSA-N 2 2 289.383 0.828 20 0 CCADLP O=C(NCC[N@H+]1CC=CCC1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000366130043 526300821 /nfs/dbraw/zinc/30/08/21/526300821.db2.gz QGHUSGCQJSLMLH-LBPRGKRZSA-N 2 2 289.383 0.828 20 0 CCADLP O=C(NCC[N@@H+]1CC=CCC1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000366130043 526300826 /nfs/dbraw/zinc/30/08/26/526300826.db2.gz QGHUSGCQJSLMLH-LBPRGKRZSA-N 2 2 289.383 0.828 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000269229120 536461604 /nfs/dbraw/zinc/46/16/04/536461604.db2.gz BSBIFBAIFMCVFJ-JTQLQIEISA-N 2 2 250.346 0.971 20 0 CCADLP O=C(NCc1ccc(-n2cc[nH+]c2)nc1)[C@H]1CSC[NH2+]1 ZINC000370763092 526650530 /nfs/dbraw/zinc/65/05/30/526650530.db2.gz DTWMSLDGLBRNKW-LLVKDONJSA-N 2 2 289.364 0.546 20 0 CCADLP CC(C)([NH3+])C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424382467 527240022 /nfs/dbraw/zinc/24/00/22/527240022.db2.gz SIDNACKONICIOK-UHFFFAOYSA-N 3 2 263.389 0.861 20 0 CCADLP CN(C)C(=O)C[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667481346 545148483 /nfs/dbraw/zinc/14/84/83/545148483.db2.gz PFWPWLYXSZODHQ-UHFFFAOYSA-N 2 2 273.340 0.787 20 0 CCADLP CN(C)C(=O)C[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667481346 545148484 /nfs/dbraw/zinc/14/84/84/545148484.db2.gz PFWPWLYXSZODHQ-UHFFFAOYSA-N 2 2 273.340 0.787 20 0 CCADLP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1cc[nH+]cc1C ZINC000667300816 545143553 /nfs/dbraw/zinc/14/35/53/545143553.db2.gz FXEURHUMTKNUQL-QWRGUYRKSA-N 2 2 266.320 0.976 20 0 CCADLP C[NH+](C)C1(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000667825913 545157307 /nfs/dbraw/zinc/15/73/07/545157307.db2.gz MOJDMYFMGJMLSR-UHFFFAOYSA-N 2 2 269.389 0.308 20 0 CCADLP C[NH+](C)C1(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000667825913 545157308 /nfs/dbraw/zinc/15/73/08/545157308.db2.gz MOJDMYFMGJMLSR-UHFFFAOYSA-N 2 2 269.389 0.308 20 0 CCADLP Cc1[nH+]cc(C[N@@H+]2CCO[C@@]3(CCOC3)C2)n1C ZINC000667996349 545160656 /nfs/dbraw/zinc/16/06/56/545160656.db2.gz LPDTVXLBLMLAKZ-ZDUSSCGKSA-N 2 2 251.330 0.720 20 0 CCADLP Cc1[nH+]cc(C[N@H+]2CCO[C@@]3(CCOC3)C2)n1C ZINC000667996349 545160657 /nfs/dbraw/zinc/16/06/57/545160657.db2.gz LPDTVXLBLMLAKZ-ZDUSSCGKSA-N 2 2 251.330 0.720 20 0 CCADLP Cc1[nH+]cc(C[N@@H+]2CCO[C@]3(CCOC3)C2)n1C ZINC000667996348 545160753 /nfs/dbraw/zinc/16/07/53/545160753.db2.gz LPDTVXLBLMLAKZ-CYBMUJFWSA-N 2 2 251.330 0.720 20 0 CCADLP Cc1[nH+]cc(C[N@H+]2CCO[C@]3(CCOC3)C2)n1C ZINC000667996348 545160754 /nfs/dbraw/zinc/16/07/54/545160754.db2.gz LPDTVXLBLMLAKZ-CYBMUJFWSA-N 2 2 251.330 0.720 20 0 CCADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](C)C[C@@H]2C(N)=O)n1C ZINC000668012507 545161112 /nfs/dbraw/zinc/16/11/12/545161112.db2.gz CYORVYHIZUMLOX-JOYOIKCWSA-N 2 2 250.346 0.814 20 0 CCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](C)C[C@@H]2C(N)=O)n1C ZINC000668012507 545161113 /nfs/dbraw/zinc/16/11/13/545161113.db2.gz CYORVYHIZUMLOX-JOYOIKCWSA-N 2 2 250.346 0.814 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCNS(C)(=O)=O)C1 ZINC000365669358 527457075 /nfs/dbraw/zinc/45/70/75/527457075.db2.gz SIMLDIZATDZRFE-LLVKDONJSA-N 2 2 286.401 0.149 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000365669358 527457078 /nfs/dbraw/zinc/45/70/78/527457078.db2.gz SIMLDIZATDZRFE-LLVKDONJSA-N 2 2 286.401 0.149 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC([NH2+][C@H]2CC23CC3)CC1 ZINC000424318875 527478633 /nfs/dbraw/zinc/47/86/33/527478633.db2.gz HYLVEZMJIXCHNM-HNNXBMFYSA-N 2 2 279.428 0.925 20 0 CCADLP C(C[NH+]1CCC([NH2+][C@H]2CC23CC3)CC1)N1CCOCC1 ZINC000424318875 527478637 /nfs/dbraw/zinc/47/86/37/527478637.db2.gz HYLVEZMJIXCHNM-HNNXBMFYSA-N 2 2 279.428 0.925 20 0 CCADLP Cc1[nH+]cc(CN2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)n1C ZINC000668242137 545169541 /nfs/dbraw/zinc/16/95/41/545169541.db2.gz VOBYSEDOFMXQDU-NEPJUHHUSA-N 2 2 266.389 0.615 20 0 CCADLP Cc1[nH+]cc(CN2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)n1C ZINC000668242137 545169542 /nfs/dbraw/zinc/16/95/42/545169542.db2.gz VOBYSEDOFMXQDU-NEPJUHHUSA-N 2 2 266.389 0.615 20 0 CCADLP Cc1[nH+]cc(CN2CC[NH+]([C@H]3CCOC3)CC2)n1C ZINC000668536228 545180766 /nfs/dbraw/zinc/18/07/66/545180766.db2.gz PQLBNOSKLBDLOI-ZDUSSCGKSA-N 2 2 264.373 0.635 20 0 CCADLP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H]1C[NH+]2CCC1CC2 ZINC000668588658 545183129 /nfs/dbraw/zinc/18/31/29/545183129.db2.gz NJHKKZPEPZAKPC-ZFWWWQNUSA-N 2 2 288.395 0.998 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000449659105 527735280 /nfs/dbraw/zinc/73/52/80/527735280.db2.gz VAMGIOYCKGBXJV-MNOVXSKESA-N 2 2 291.342 0.068 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000449659105 527735284 /nfs/dbraw/zinc/73/52/84/527735284.db2.gz VAMGIOYCKGBXJV-MNOVXSKESA-N 2 2 291.342 0.068 20 0 CCADLP CCO[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)[C@@H]1OC ZINC000425338740 527840054 /nfs/dbraw/zinc/84/00/54/527840054.db2.gz PZSTYKUDMGKIQD-UPJWGTAASA-N 2 2 282.388 0.768 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492813957 528012746 /nfs/dbraw/zinc/01/27/46/528012746.db2.gz RIMVIPOAFKVEOR-XGACYXMMSA-N 2 2 292.383 0.896 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000492813957 528012750 /nfs/dbraw/zinc/01/27/50/528012750.db2.gz RIMVIPOAFKVEOR-XGACYXMMSA-N 2 2 292.383 0.896 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)N[C@@H]2CCC[NH2+]CC2)CCO1 ZINC000669439330 545208134 /nfs/dbraw/zinc/20/81/34/545208134.db2.gz MNEZEIOKPJQXOS-CYBMUJFWSA-N 2 2 298.431 0.539 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)N[C@@H]2CCC[NH2+]CC2)CCO1 ZINC000669439330 545208135 /nfs/dbraw/zinc/20/81/35/545208135.db2.gz MNEZEIOKPJQXOS-CYBMUJFWSA-N 2 2 298.431 0.539 20 0 CCADLP C[C@H](NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@H]1C[N@H+](C)CCO1 ZINC000669538572 545213709 /nfs/dbraw/zinc/21/37/09/545213709.db2.gz XNKNVNRXGKPTNC-IGQOVBAYSA-N 2 2 296.415 0.241 20 0 CCADLP C[C@H](NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@H]1C[N@@H+](C)CCO1 ZINC000669538572 545213710 /nfs/dbraw/zinc/21/37/10/545213710.db2.gz XNKNVNRXGKPTNC-IGQOVBAYSA-N 2 2 296.415 0.241 20 0 CCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000669538306 545213734 /nfs/dbraw/zinc/21/37/34/545213734.db2.gz KDHHKZRDAZCSCD-MJBXVCDLSA-N 2 2 298.431 0.489 20 0 CCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000669538306 545213735 /nfs/dbraw/zinc/21/37/35/545213735.db2.gz KDHHKZRDAZCSCD-MJBXVCDLSA-N 2 2 298.431 0.489 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CC[C@H]2C2CCC2)CC1 ZINC000669846931 545222190 /nfs/dbraw/zinc/22/21/90/545222190.db2.gz DGSAKCVLZGMHTN-UONOGXRCSA-N 2 2 265.401 0.929 20 0 CCADLP Cc1nc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)co1 ZINC000669950948 545224403 /nfs/dbraw/zinc/22/44/03/545224403.db2.gz WKRKDVFZLIKUPW-LBPRGKRZSA-N 2 2 292.383 0.881 20 0 CCADLP Cc1nc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)co1 ZINC000669950948 545224404 /nfs/dbraw/zinc/22/44/04/545224404.db2.gz WKRKDVFZLIKUPW-LBPRGKRZSA-N 2 2 292.383 0.881 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000418221410 528409811 /nfs/dbraw/zinc/40/98/11/528409811.db2.gz SUPBNUQEYDYIAH-YPMHNXCESA-N 2 2 284.404 0.147 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000418221410 528409817 /nfs/dbraw/zinc/40/98/17/528409817.db2.gz SUPBNUQEYDYIAH-YPMHNXCESA-N 2 2 284.404 0.147 20 0 CCADLP CN(C)c1c[nH+]ccc1NC(=O)N1CCC[N@H+](C)CC1 ZINC000670077759 545227947 /nfs/dbraw/zinc/22/79/47/545227947.db2.gz UYVPTTGJWTXVRX-UHFFFAOYSA-N 2 2 277.372 0.739 20 0 CCADLP CN(C)c1c[nH+]ccc1NC(=O)N1CCC[N@@H+](C)CC1 ZINC000670077759 545227948 /nfs/dbraw/zinc/22/79/48/545227948.db2.gz UYVPTTGJWTXVRX-UHFFFAOYSA-N 2 2 277.372 0.739 20 0 CCADLP CC(C)[C@@H](CNC(=O)/C=C/c1[nH]cc[nH+]1)[NH+]1CCOCC1 ZINC000493077968 528446538 /nfs/dbraw/zinc/44/65/38/528446538.db2.gz ZLQUJSOXUNXZLV-ITDFMYJTSA-N 2 2 292.383 0.896 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000423616324 528476415 /nfs/dbraw/zinc/47/64/15/528476415.db2.gz RWTWCLUMEDEQDS-MGPQQGTHSA-N 2 2 283.416 0.744 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000423616324 528476419 /nfs/dbraw/zinc/47/64/19/528476419.db2.gz RWTWCLUMEDEQDS-MGPQQGTHSA-N 2 2 283.416 0.744 20 0 CCADLP CCC[NH2+]CCNC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC000418471337 528484242 /nfs/dbraw/zinc/48/42/42/528484242.db2.gz KOZPBWHIQKBEML-CYBMUJFWSA-N 2 2 286.420 0.348 20 0 CCADLP CCC[NH2+]CCNC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000418486834 528496462 /nfs/dbraw/zinc/49/64/62/528496462.db2.gz GRUNKWOHCJDMCH-SNVBAGLBSA-N 2 2 278.347 0.530 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)NCC[N@H+](CC)CCO ZINC000492622996 528529867 /nfs/dbraw/zinc/52/98/67/528529867.db2.gz PIPPBFJQZRKCFO-WAYWQWQTSA-N 2 2 280.372 0.347 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)NCC[N@@H+](CC)CCO ZINC000492622996 528529869 /nfs/dbraw/zinc/52/98/69/528529869.db2.gz PIPPBFJQZRKCFO-WAYWQWQTSA-N 2 2 280.372 0.347 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000449143394 528551451 /nfs/dbraw/zinc/55/14/51/528551451.db2.gz WTJVWDVSKZIQFV-MGPQQGTHSA-N 2 2 283.416 0.554 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)NC1CC1 ZINC000670986921 545241482 /nfs/dbraw/zinc/24/14/82/545241482.db2.gz ZIEBSKIYWCBHHL-CQSZACIVSA-N 2 2 281.400 0.452 20 0 CCADLP O=C(C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)NC1CC1 ZINC000670986921 545241483 /nfs/dbraw/zinc/24/14/83/545241483.db2.gz ZIEBSKIYWCBHHL-CQSZACIVSA-N 2 2 281.400 0.452 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000426331206 528746152 /nfs/dbraw/zinc/74/61/52/528746152.db2.gz QPYHCTQLMCAMNM-OAHLLOKOSA-N 2 2 295.427 0.794 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000426331206 528746153 /nfs/dbraw/zinc/74/61/53/528746153.db2.gz QPYHCTQLMCAMNM-OAHLLOKOSA-N 2 2 295.427 0.794 20 0 CCADLP CCCC[C@@H](C[NH3+])NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000418121421 528806891 /nfs/dbraw/zinc/80/68/91/528806891.db2.gz WVOPWEOORQDEOB-ZDUSSCGKSA-N 2 2 298.431 0.668 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000671744064 545259116 /nfs/dbraw/zinc/25/91/16/545259116.db2.gz WVFOWQIUEJZDRX-RBSFLKMASA-N 3 2 294.443 0.223 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000671744064 545259117 /nfs/dbraw/zinc/25/91/17/545259117.db2.gz WVFOWQIUEJZDRX-RBSFLKMASA-N 3 2 294.443 0.223 20 0 CCADLP CCCC[C@H]([NH3+])C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000423774780 528969171 /nfs/dbraw/zinc/96/91/71/528969171.db2.gz BZKXGIZJENYEHV-ZDUSSCGKSA-N 2 2 291.399 0.951 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000426491273 529131678 /nfs/dbraw/zinc/13/16/78/529131678.db2.gz GXWOFERZKOYTIF-CQSZACIVSA-N 2 2 295.427 0.840 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000426491273 529131679 /nfs/dbraw/zinc/13/16/79/529131679.db2.gz GXWOFERZKOYTIF-CQSZACIVSA-N 2 2 295.427 0.840 20 0 CCADLP CC1(C)COCC[NH+]1CCNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000426491273 529131682 /nfs/dbraw/zinc/13/16/82/529131682.db2.gz GXWOFERZKOYTIF-CQSZACIVSA-N 2 2 295.427 0.840 20 0 CCADLP CC1(C)COCC[NH+]1CCNC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000426491273 529131683 /nfs/dbraw/zinc/13/16/83/529131683.db2.gz GXWOFERZKOYTIF-CQSZACIVSA-N 2 2 295.427 0.840 20 0 CCADLP CC[NH+]1CCN(CCNC(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493597699 529145115 /nfs/dbraw/zinc/14/51/15/529145115.db2.gz XDYVABSPUBNCFH-ONEGZZNKSA-N 2 2 277.372 0.177 20 0 CCADLP CC[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000358175120 529206751 /nfs/dbraw/zinc/20/67/51/529206751.db2.gz YHRKAHYJKSCDFX-LSDHHAIUSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000673655735 545290171 /nfs/dbraw/zinc/29/01/71/545290171.db2.gz KSVCSXSLAMAOEZ-ZDUSSCGKSA-N 2 2 287.323 0.536 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000673655735 545290172 /nfs/dbraw/zinc/29/01/72/545290172.db2.gz KSVCSXSLAMAOEZ-ZDUSSCGKSA-N 2 2 287.323 0.536 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000673658808 545290239 /nfs/dbraw/zinc/29/02/39/545290239.db2.gz ATFRWIAAIOOAFW-CHWSQXEVSA-N 2 2 278.356 0.377 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000673658808 545290240 /nfs/dbraw/zinc/29/02/40/545290240.db2.gz ATFRWIAAIOOAFW-CHWSQXEVSA-N 2 2 278.356 0.377 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000673658913 545290367 /nfs/dbraw/zinc/29/03/67/545290367.db2.gz FRYUQSZXLDUPCT-GFCCVEGCSA-N 2 2 259.313 0.943 20 0 CCADLP Cn1cc[nH+]c1CN1CC[NH+](C(C)(C)CO)CC1 ZINC000673896630 545294751 /nfs/dbraw/zinc/29/47/51/545294751.db2.gz YMSHVBUYMUCPAZ-UHFFFAOYSA-N 2 2 252.362 0.309 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+](Cc2ccccn2)CC1)[NH+](C)C ZINC000674266321 545302162 /nfs/dbraw/zinc/30/21/62/545302162.db2.gz PFYQXXZSVVFOAB-ZDUSSCGKSA-N 2 2 276.384 0.676 20 0 CCADLP Cn1c[nH+]cc1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000674369879 545305252 /nfs/dbraw/zinc/30/52/52/545305252.db2.gz DXOIVLNVMUYQQA-AWEZNQCLSA-N 2 2 264.373 0.717 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NCc2[nH+]ccn2C)C[N@@H+]1C1CC1 ZINC000674699932 545310372 /nfs/dbraw/zinc/31/03/72/545310372.db2.gz WPTIUICBAVPNTD-GHMZBOCLSA-N 2 2 277.372 0.845 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NCc2[nH+]ccn2C)C[N@H+]1C1CC1 ZINC000674699932 545310373 /nfs/dbraw/zinc/31/03/73/545310373.db2.gz WPTIUICBAVPNTD-GHMZBOCLSA-N 2 2 277.372 0.845 20 0 CCADLP COC[C@H](C)CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000674800110 545313438 /nfs/dbraw/zinc/31/34/38/545313438.db2.gz VTRWVOSWWOJAOD-ZIAGYGMSSA-N 2 2 297.443 0.944 20 0 CCADLP COC[C@H](C)CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000674800110 545313439 /nfs/dbraw/zinc/31/34/39/545313439.db2.gz VTRWVOSWWOJAOD-ZIAGYGMSSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000674878811 545317076 /nfs/dbraw/zinc/31/70/76/545317076.db2.gz MQVIFCGMXVDYJU-KBPBESRZSA-N 3 2 268.449 0.552 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000674878811 545317077 /nfs/dbraw/zinc/31/70/77/545317077.db2.gz MQVIFCGMXVDYJU-KBPBESRZSA-N 3 2 268.449 0.552 20 0 CCADLP Cc1nc(NCC[NH+]2CCCC2)nc(N(C)C)[nH+]1 ZINC000676077283 545334575 /nfs/dbraw/zinc/33/45/75/545334575.db2.gz VARXIDJKWPLWKC-UHFFFAOYSA-N 2 2 250.350 0.754 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccn(C)n2)CC1 ZINC000459769850 535640281 /nfs/dbraw/zinc/64/02/81/535640281.db2.gz AMZKLUQQNYJGHX-STQMWFEESA-N 2 2 293.415 0.623 20 0 CCADLP CC[N@H+](CC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C1CC1 ZINC000676706476 545349962 /nfs/dbraw/zinc/34/99/62/545349962.db2.gz VXDDLVBJPDYHNI-HNNXBMFYSA-N 2 2 295.427 0.794 20 0 CCADLP CC[N@@H+](CC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)C1CC1 ZINC000676706476 545349963 /nfs/dbraw/zinc/34/99/63/545349963.db2.gz VXDDLVBJPDYHNI-HNNXBMFYSA-N 2 2 295.427 0.794 20 0 CCADLP CC[NH+]1CCN(CCC[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000347716791 535698661 /nfs/dbraw/zinc/69/86/61/535698661.db2.gz IURVQWXIVFYZKG-GJZGRUSLSA-N 3 2 268.449 0.554 20 0 CCADLP CC[NH+]1CCN(CCC[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000347716791 535698665 /nfs/dbraw/zinc/69/86/65/535698665.db2.gz IURVQWXIVFYZKG-GJZGRUSLSA-N 3 2 268.449 0.554 20 0 CCADLP CC[N@H+](CC(=O)N[C@H](C)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC000676844065 545353899 /nfs/dbraw/zinc/35/38/99/545353899.db2.gz BYONMMYPCFNWEX-DGCLKSJQSA-N 2 2 269.389 0.306 20 0 CCADLP CC[N@@H+](CC(=O)N[C@H](C)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC000676844065 545353900 /nfs/dbraw/zinc/35/39/00/545353900.db2.gz BYONMMYPCFNWEX-DGCLKSJQSA-N 2 2 269.389 0.306 20 0 CCADLP CC[NH+](CC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC000676844065 545353901 /nfs/dbraw/zinc/35/39/01/545353901.db2.gz BYONMMYPCFNWEX-DGCLKSJQSA-N 2 2 269.389 0.306 20 0 CCADLP CC[NH+](CC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000676844065 545353902 /nfs/dbraw/zinc/35/39/02/545353902.db2.gz BYONMMYPCFNWEX-DGCLKSJQSA-N 2 2 269.389 0.306 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000677195397 545360763 /nfs/dbraw/zinc/36/07/63/545360763.db2.gz UJWXTPYTMXZIRN-KBPBESRZSA-N 2 2 282.432 0.175 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000677195397 545360764 /nfs/dbraw/zinc/36/07/64/545360764.db2.gz UJWXTPYTMXZIRN-KBPBESRZSA-N 2 2 282.432 0.175 20 0 CCADLP CCc1noc(C[N@H+](C)CCCN(C)CC[NH+](C)C)n1 ZINC000677215344 545361210 /nfs/dbraw/zinc/36/12/10/545361210.db2.gz PQCSSOANMIKJBU-UHFFFAOYSA-N 2 2 283.420 0.947 20 0 CCADLP CCc1noc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)n1 ZINC000677215344 545361211 /nfs/dbraw/zinc/36/12/11/545361211.db2.gz PQCSSOANMIKJBU-UHFFFAOYSA-N 2 2 283.420 0.947 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000678080536 545383745 /nfs/dbraw/zinc/38/37/45/545383745.db2.gz CSTDSVFWYHKSCS-JSGCOSHPSA-N 2 2 281.400 0.437 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000678080536 545383746 /nfs/dbraw/zinc/38/37/46/545383746.db2.gz CSTDSVFWYHKSCS-JSGCOSHPSA-N 2 2 281.400 0.437 20 0 CCADLP C[NH2+][C@@H](C(=O)NC[C@H](C)Cn1cc[nH+]c1)c1cnn(C)c1 ZINC000357199566 536335584 /nfs/dbraw/zinc/33/55/84/536335584.db2.gz KUVCZWBOLASBFJ-WCQYABFASA-N 2 2 290.371 0.330 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cn3cccn3)C2)CC1 ZINC000369275544 536340170 /nfs/dbraw/zinc/34/01/70/536340170.db2.gz BQVOGNKLKNEWLO-CYBMUJFWSA-N 2 2 291.399 0.168 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cn3cccn3)C2)CC1 ZINC000369275544 536340174 /nfs/dbraw/zinc/34/01/74/536340174.db2.gz BQVOGNKLKNEWLO-CYBMUJFWSA-N 2 2 291.399 0.168 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000357359408 536357758 /nfs/dbraw/zinc/35/77/58/536357758.db2.gz BSZOJDAIRKVMDM-NWDGAFQWSA-N 2 2 275.418 0.224 20 0 CCADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000357359408 536357760 /nfs/dbraw/zinc/35/77/60/536357760.db2.gz BSZOJDAIRKVMDM-NWDGAFQWSA-N 2 2 275.418 0.224 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000357359408 536357763 /nfs/dbraw/zinc/35/77/63/536357763.db2.gz BSZOJDAIRKVMDM-NWDGAFQWSA-N 2 2 275.418 0.224 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000357359408 536357766 /nfs/dbraw/zinc/35/77/66/536357766.db2.gz BSZOJDAIRKVMDM-NWDGAFQWSA-N 2 2 275.418 0.224 20 0 CCADLP COC(=O)C[C@]1([NH2+]CCCn2cc[nH+]c2)CCOC1 ZINC000362262635 536363159 /nfs/dbraw/zinc/36/31/59/536363159.db2.gz NTKACQYZTGNOIR-CYBMUJFWSA-N 2 2 267.329 0.585 20 0 CCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cccc(CO)c1 ZINC000678946798 545400401 /nfs/dbraw/zinc/40/04/01/545400401.db2.gz YXIQVECZRAXVKU-ZDUSSCGKSA-N 2 2 291.395 0.604 20 0 CCADLP C[NH2+][C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000261653371 536400189 /nfs/dbraw/zinc/40/01/89/536400189.db2.gz FHSXZOCSSSGXFO-SNVBAGLBSA-N 2 2 259.313 0.605 20 0 CCADLP C[NH+]1CCN(c2cc(-c3nc(C[NH3+])no3)ccn2)CC1 ZINC000516969771 536417266 /nfs/dbraw/zinc/41/72/66/536417266.db2.gz GZWFWTFQSDFVBR-UHFFFAOYSA-N 2 2 274.328 0.342 20 0 CCADLP CNC(=O)c1ccc(C[N@@H+]2CC[C@H](OC)C[C@H]2C[NH3+])cc1 ZINC000359047838 536423469 /nfs/dbraw/zinc/42/34/69/536423469.db2.gz UUTYMGVSEXJNCF-GJZGRUSLSA-N 2 2 291.395 0.984 20 0 CCADLP CNC(=O)c1ccc(C[N@H+]2CC[C@H](OC)C[C@H]2C[NH3+])cc1 ZINC000359047838 536423473 /nfs/dbraw/zinc/42/34/73/536423473.db2.gz UUTYMGVSEXJNCF-GJZGRUSLSA-N 2 2 291.395 0.984 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)N[C@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000679893410 545417890 /nfs/dbraw/zinc/41/78/90/545417890.db2.gz MWWWOJCVIGSQHE-LBPRGKRZSA-N 2 2 289.383 0.953 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)N[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000679893410 545417891 /nfs/dbraw/zinc/41/78/91/545417891.db2.gz MWWWOJCVIGSQHE-LBPRGKRZSA-N 2 2 289.383 0.953 20 0 CCADLP c1cn(CCNc2nc(N3CCOCC3)cc[nH+]2)c[nH+]1 ZINC000680527117 545431769 /nfs/dbraw/zinc/43/17/69/545431769.db2.gz RJWYTHRSZXMBMD-UHFFFAOYSA-N 2 2 274.328 0.622 20 0 CCADLP CO[C@@H](C)CC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000360860138 536871594 /nfs/dbraw/zinc/87/15/94/536871594.db2.gz XOIZJANNXLMUCC-HNNXBMFYSA-N 2 2 299.459 0.798 20 0 CCADLP CO[C@@H](C)CC[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000360860138 536871598 /nfs/dbraw/zinc/87/15/98/536871598.db2.gz XOIZJANNXLMUCC-HNNXBMFYSA-N 2 2 299.459 0.798 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000682053575 545471828 /nfs/dbraw/zinc/47/18/28/545471828.db2.gz MACXTBDIFHSCIN-UHFFFAOYSA-N 2 2 292.383 0.732 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000682053575 545471829 /nfs/dbraw/zinc/47/18/29/545471829.db2.gz MACXTBDIFHSCIN-UHFFFAOYSA-N 2 2 292.383 0.732 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000684436681 545670709 /nfs/dbraw/zinc/67/07/09/545670709.db2.gz JGHGFPMNMKTZET-ZDUSSCGKSA-N 2 2 276.384 0.953 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000684436681 545670717 /nfs/dbraw/zinc/67/07/17/545670717.db2.gz JGHGFPMNMKTZET-ZDUSSCGKSA-N 2 2 276.384 0.953 20 0 CCADLP C[NH+](C)CC(C)(C)CN1CC([N@H+](C)C2COC2)C1 ZINC001207282304 791535901 /nfs/dbraw/zinc/53/59/01/791535901.db2.gz HESCIYMNXAGUPT-UHFFFAOYSA-N 2 2 255.406 0.589 20 0 CCADLP C[NH+](C)CC(C)(C)CN1CC([N@@H+](C)C2COC2)C1 ZINC001207282304 791535907 /nfs/dbraw/zinc/53/59/07/791535907.db2.gz HESCIYMNXAGUPT-UHFFFAOYSA-N 2 2 255.406 0.589 20 0 CCADLP CC[NH+]1CCN(CC(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)CC1 ZINC000777454657 581116332 /nfs/dbraw/zinc/11/63/32/581116332.db2.gz NVYIFOBCALAOPQ-ZDUSSCGKSA-N 2 2 291.399 0.711 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC000779189802 581176727 /nfs/dbraw/zinc/17/67/27/581176727.db2.gz AKUCIMGXTHWBNG-LBPRGKRZSA-N 2 2 288.351 0.473 20 0 CCADLP C[C@H]1C[N@H+](C[C@@H](O)C[NH+]2CCCC2)CC2(CCOCC2)O1 ZINC000790360400 581185497 /nfs/dbraw/zinc/18/54/97/581185497.db2.gz GZPGFMZLMOPNLG-GJZGRUSLSA-N 2 2 298.427 0.713 20 0 CCADLP C[C@H]1C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)CC2(CCOCC2)O1 ZINC000790360400 581185500 /nfs/dbraw/zinc/18/55/00/581185500.db2.gz GZPGFMZLMOPNLG-GJZGRUSLSA-N 2 2 298.427 0.713 20 0 CCADLP CC[NH+]1CCC([NH2+]C2CC[NH+](CCO)CC2)CC1 ZINC000398963098 581206223 /nfs/dbraw/zinc/20/62/23/581206223.db2.gz OQNWEGOJEQZCLX-UHFFFAOYSA-N 3 2 255.406 0.517 20 0 CCADLP CC[NH+]1CCC(NC2CC[NH+](CCO)CC2)CC1 ZINC000398963098 581206227 /nfs/dbraw/zinc/20/62/27/581206227.db2.gz OQNWEGOJEQZCLX-UHFFFAOYSA-N 2 2 255.406 0.517 20 0 CCADLP C[C@@H]1OCC[C@@]12C[N@H+](C[C@H](O)C[NH+]1CCCC1)CCO2 ZINC000791586627 581225058 /nfs/dbraw/zinc/22/50/58/581225058.db2.gz VMMSBEPOFNRPNU-RRFJBIMHSA-N 2 2 284.400 0.323 20 0 CCADLP C[C@@H]1OCC[C@@]12C[N@@H+](C[C@H](O)C[NH+]1CCCC1)CCO2 ZINC000791586627 581225060 /nfs/dbraw/zinc/22/50/60/581225060.db2.gz VMMSBEPOFNRPNU-RRFJBIMHSA-N 2 2 284.400 0.323 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000726255688 581233597 /nfs/dbraw/zinc/23/35/97/581233597.db2.gz JIIBRBWDMSPRMD-QWHCGFSZSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000726255688 581233598 /nfs/dbraw/zinc/23/35/98/581233598.db2.gz JIIBRBWDMSPRMD-QWHCGFSZSA-N 2 2 286.420 0.347 20 0 CCADLP COC(=O)[C@H](C)C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000726843465 581255063 /nfs/dbraw/zinc/25/50/63/581255063.db2.gz FJZCTEMNCYLCOC-OCCSQVGLSA-N 2 2 284.400 0.717 20 0 CCADLP COC(=O)[C@H](C)C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000726843465 581255065 /nfs/dbraw/zinc/25/50/65/581255065.db2.gz FJZCTEMNCYLCOC-OCCSQVGLSA-N 2 2 284.400 0.717 20 0 CCADLP C[C@]1(C(N)=O)CC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000793391320 581296283 /nfs/dbraw/zinc/29/62/83/581296283.db2.gz XGUHDXJZTMFQDP-HNNXBMFYSA-N 2 2 285.351 0.965 20 0 CCADLP C[C@]1(C(N)=O)CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000793391320 581296284 /nfs/dbraw/zinc/29/62/84/581296284.db2.gz XGUHDXJZTMFQDP-HNNXBMFYSA-N 2 2 285.351 0.965 20 0 CCADLP C[N@@H+]1CC[C@]2(CC[NH+](CN3C[C@]4(CCOC4)CC3=O)C2)C1 ZINC000793763213 581311959 /nfs/dbraw/zinc/31/19/59/581311959.db2.gz DIEOXCVPFJYMBD-HOTGVXAUSA-N 2 2 293.411 0.611 20 0 CCADLP C[N@H+]1CC[C@]2(CC[NH+](CN3C[C@]4(CCOC4)CC3=O)C2)C1 ZINC000793763213 581311963 /nfs/dbraw/zinc/31/19/63/581311963.db2.gz DIEOXCVPFJYMBD-HOTGVXAUSA-N 2 2 293.411 0.611 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@H+](CN3C[C@]4(CCOC4)CC3=O)C2)C1 ZINC000793763213 581311965 /nfs/dbraw/zinc/31/19/65/581311965.db2.gz DIEOXCVPFJYMBD-HOTGVXAUSA-N 2 2 293.411 0.611 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@@H+](CN3C[C@]4(CCOC4)CC3=O)C2)C1 ZINC000793763213 581311970 /nfs/dbraw/zinc/31/19/70/581311970.db2.gz DIEOXCVPFJYMBD-HOTGVXAUSA-N 2 2 293.411 0.611 20 0 CCADLP C[C@H]1COCCC[N@@H+]1CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783996854 581370623 /nfs/dbraw/zinc/37/06/23/581370623.db2.gz SULSYBAZIATZTH-STQMWFEESA-N 2 2 292.383 0.804 20 0 CCADLP C[C@H]1COCCC[N@H+]1CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783996854 581370624 /nfs/dbraw/zinc/37/06/24/581370624.db2.gz SULSYBAZIATZTH-STQMWFEESA-N 2 2 292.383 0.804 20 0 CCADLP C[N@H+]1C[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]2C1 ZINC000787633984 581474467 /nfs/dbraw/zinc/47/44/67/581474467.db2.gz BSMFSSSKPXYKIO-TXEJJXNPSA-N 2 2 270.336 0.968 20 0 CCADLP C[N@@H+]1C[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]2C1 ZINC000787633984 581474468 /nfs/dbraw/zinc/47/44/68/581474468.db2.gz BSMFSSSKPXYKIO-TXEJJXNPSA-N 2 2 270.336 0.968 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC000765967063 581543236 /nfs/dbraw/zinc/54/32/36/581543236.db2.gz WRVBEWKJSYTPTB-RYUDHWBXSA-N 2 2 267.373 0.455 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC000765967063 581543239 /nfs/dbraw/zinc/54/32/39/581543239.db2.gz WRVBEWKJSYTPTB-RYUDHWBXSA-N 2 2 267.373 0.455 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000765967063 581543240 /nfs/dbraw/zinc/54/32/40/581543240.db2.gz WRVBEWKJSYTPTB-RYUDHWBXSA-N 2 2 267.373 0.455 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000765967063 581543242 /nfs/dbraw/zinc/54/32/42/581543242.db2.gz WRVBEWKJSYTPTB-RYUDHWBXSA-N 2 2 267.373 0.455 20 0 CCADLP CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@@H](O)C[NH+]3CCCC3)[C@@H]2C1 ZINC000755052167 581623295 /nfs/dbraw/zinc/62/32/95/581623295.db2.gz AVTTZFODZOXKFG-JJXSEGSLSA-N 2 2 298.427 0.711 20 0 CCADLP CO[C@@H]1CC[C@@H]2OCC[N@@H+](C[C@@H](O)C[NH+]3CCCC3)[C@@H]2C1 ZINC000755052167 581623297 /nfs/dbraw/zinc/62/32/97/581623297.db2.gz AVTTZFODZOXKFG-JJXSEGSLSA-N 2 2 298.427 0.711 20 0 CCADLP CC[N@H+](CCO)CCNC(=O)c1cccc2[nH+]ccn21 ZINC000769635487 581698807 /nfs/dbraw/zinc/69/88/07/581698807.db2.gz MBXHHIKJQMNEGM-UHFFFAOYSA-N 2 2 276.340 0.378 20 0 CCADLP CC[N@@H+](CCO)CCNC(=O)c1cccc2[nH+]ccn21 ZINC000769635487 581698810 /nfs/dbraw/zinc/69/88/10/581698810.db2.gz MBXHHIKJQMNEGM-UHFFFAOYSA-N 2 2 276.340 0.378 20 0 CCADLP C[N@H+](CCc1cnccn1)C[C@H](O)C[NH+]1CCCC1 ZINC000771465596 581804660 /nfs/dbraw/zinc/80/46/60/581804660.db2.gz VQVKUXBPIMFRMO-AWEZNQCLSA-N 2 2 264.373 0.408 20 0 CCADLP C[N@@H+](CCc1cnccn1)C[C@H](O)C[NH+]1CCCC1 ZINC000771465596 581804663 /nfs/dbraw/zinc/80/46/63/581804663.db2.gz VQVKUXBPIMFRMO-AWEZNQCLSA-N 2 2 264.373 0.408 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000759634424 581812782 /nfs/dbraw/zinc/81/27/82/581812782.db2.gz WVMFLFVDXSEVSM-ZDUSSCGKSA-N 2 2 283.416 0.386 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000761075025 581885515 /nfs/dbraw/zinc/88/55/15/581885515.db2.gz ZMRFFNBBVYOJOC-KGLIPLIRSA-N 2 2 282.432 0.175 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)N2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000761075025 581885519 /nfs/dbraw/zinc/88/55/19/581885519.db2.gz ZMRFFNBBVYOJOC-KGLIPLIRSA-N 2 2 282.432 0.175 20 0 CCADLP CC(C)(CNC(=O)C[N@@H+]1CC[C@@H]2C[C@@H]21)[NH+]1CCOCC1 ZINC000761084692 581887448 /nfs/dbraw/zinc/88/74/48/581887448.db2.gz BBGXIKWIYUQPQT-OLZOCXBDSA-N 2 2 281.400 0.308 20 0 CCADLP CC(C)(CNC(=O)C[N@H+]1CC[C@@H]2C[C@@H]21)[NH+]1CCOCC1 ZINC000761084692 581887449 /nfs/dbraw/zinc/88/74/49/581887449.db2.gz BBGXIKWIYUQPQT-OLZOCXBDSA-N 2 2 281.400 0.308 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CN1CCCC1=O ZINC000746655006 581921468 /nfs/dbraw/zinc/92/14/68/581921468.db2.gz ZJGYEDIWXMXUGZ-HZSPNIEDSA-N 2 2 281.400 0.750 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CN1CCCC1=O ZINC000746655006 581921471 /nfs/dbraw/zinc/92/14/71/581921471.db2.gz ZJGYEDIWXMXUGZ-HZSPNIEDSA-N 2 2 281.400 0.750 20 0 CCADLP C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000762850789 581966181 /nfs/dbraw/zinc/96/61/81/581966181.db2.gz CWKFCPDMKSHKCN-CQSZACIVSA-N 2 2 289.339 0.522 20 0 CCADLP C[N@H+]1CC[C@@](O)(CNC(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000762850789 581966182 /nfs/dbraw/zinc/96/61/82/581966182.db2.gz CWKFCPDMKSHKCN-CQSZACIVSA-N 2 2 289.339 0.522 20 0 CCADLP Cn1cnn(C[NH+]2CCC(OCC[NH+](C)C)CC2)c1=S ZINC000738209018 582028997 /nfs/dbraw/zinc/02/89/97/582028997.db2.gz MLOKCOSMANFGNC-UHFFFAOYSA-N 2 2 299.444 0.951 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCOC[C@H]1OC ZINC000880437472 614865830 /nfs/dbraw/zinc/86/58/30/614865830.db2.gz LLXLRGRNOZJILI-YNEHKIRRSA-N 2 2 260.378 0.035 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCOC[C@H]1OC ZINC000880437472 614865831 /nfs/dbraw/zinc/86/58/31/614865831.db2.gz LLXLRGRNOZJILI-YNEHKIRRSA-N 2 2 260.378 0.035 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CCOC[C@H]1OC ZINC000880437472 614865832 /nfs/dbraw/zinc/86/58/32/614865832.db2.gz LLXLRGRNOZJILI-YNEHKIRRSA-N 2 2 260.378 0.035 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCOC[C@H]1OC ZINC000880437472 614865833 /nfs/dbraw/zinc/86/58/33/614865833.db2.gz LLXLRGRNOZJILI-YNEHKIRRSA-N 2 2 260.378 0.035 20 0 CCADLP COC(=O)[C@]1(C)CC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903898171 616762664 /nfs/dbraw/zinc/76/26/64/616762664.db2.gz LINNCHPXCYYGGK-GZMMTYOYSA-N 2 2 250.289 0.854 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCSC[C@H]1C ZINC000934297303 616967744 /nfs/dbraw/zinc/96/77/44/616967744.db2.gz FLFGMJFOVVIWOI-OLZOCXBDSA-N 2 2 276.446 0.753 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)Nc2ccc(O)cc2)C1 ZINC000843364672 617177799 /nfs/dbraw/zinc/17/77/99/617177799.db2.gz PSHCEWQOTDCCGO-GHMZBOCLSA-N 2 2 263.341 1.000 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(O)cc2)C1 ZINC000843364672 617177800 /nfs/dbraw/zinc/17/78/00/617177800.db2.gz PSHCEWQOTDCCGO-GHMZBOCLSA-N 2 2 263.341 1.000 20 0 CCADLP C[C@@H]([NH3+])[C@H]([NH2+]CCN1CCNC1=O)c1ccccc1 ZINC000925776968 617178369 /nfs/dbraw/zinc/17/83/69/617178369.db2.gz JMGGGJHCNMFATK-YPMHNXCESA-N 2 2 262.357 0.690 20 0 CCADLP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000874386056 617192224 /nfs/dbraw/zinc/19/22/24/617192224.db2.gz SDSMHXSDCWANRR-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP CC(C)(O)C[C@H](O)C[NH2+]CCCCn1cc[nH+]c1 ZINC000872201717 614205479 /nfs/dbraw/zinc/20/54/79/614205479.db2.gz IDPTWQXQIYAHLL-LBPRGKRZSA-N 2 2 255.362 0.775 20 0 CCADLP CSCC[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)C(=O)N(C)C ZINC000925668910 617246473 /nfs/dbraw/zinc/24/64/73/617246473.db2.gz LRUFYKYOASTRIW-XNBXPENISA-N 2 2 297.468 0.782 20 0 CCADLP C/C(=C/C(=O)N(C)C[C@H]1CCC[N@@H+]1C)C[NH+]1CCOCC1 ZINC000911202009 613227645 /nfs/dbraw/zinc/22/76/45/613227645.db2.gz SWPDIASNIMGOTN-QKXCFHHRSA-N 2 2 295.427 0.818 20 0 CCADLP C/C(=C/C(=O)N(C)C[C@H]1CCC[N@H+]1C)C[NH+]1CCOCC1 ZINC000911202009 613227647 /nfs/dbraw/zinc/22/76/47/613227647.db2.gz SWPDIASNIMGOTN-QKXCFHHRSA-N 2 2 295.427 0.818 20 0 CCADLP C/C(=C\C(=O)N1CC[C@H](C[NH+](C)C)C1)C[NH+]1CCOCC1 ZINC000900711884 613252889 /nfs/dbraw/zinc/25/28/89/613252889.db2.gz QWHHLOKKHZGHDV-YVGNARHYSA-N 2 2 295.427 0.675 20 0 CCADLP C/C(=C\C(=O)NOC1CC[NH+](C)CC1)C[NH+]1CCOCC1 ZINC000908030572 613258135 /nfs/dbraw/zinc/25/81/35/613258135.db2.gz XNGSSULNUFCWMP-ACCUITESSA-N 2 2 297.399 0.407 20 0 CCADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000043708258 614033257 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/nfs/dbraw/zinc/26/57/47/614265747.db2.gz WRQYSIMUVGLGDJ-STQMWFEESA-N 2 2 253.390 0.833 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CC[N@@H+]1C ZINC000928550683 614326861 /nfs/dbraw/zinc/32/68/61/614326861.db2.gz HUWKEFNCWUSLRR-LLVKDONJSA-N 2 2 250.346 0.827 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CC[N@H+]1C ZINC000928550683 614326863 /nfs/dbraw/zinc/32/68/63/614326863.db2.gz HUWKEFNCWUSLRR-LLVKDONJSA-N 2 2 250.346 0.827 20 0 CCADLP CCCCNC(=O)CC[N@@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000923475666 614418396 /nfs/dbraw/zinc/41/83/96/614418396.db2.gz AGHFBDPOJTYDRI-ZDUSSCGKSA-N 2 2 257.378 0.078 20 0 CCADLP CCCCNC(=O)CC[N@H+]1CCC[C@@]([NH3+])(CO)C1 ZINC000923475666 614418398 /nfs/dbraw/zinc/41/83/98/614418398.db2.gz AGHFBDPOJTYDRI-ZDUSSCGKSA-N 2 2 257.378 0.078 20 0 CCADLP CC1CC[NH+](CCNC(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000864877381 614436934 /nfs/dbraw/zinc/43/69/34/614436934.db2.gz OQATVMJTLHNOCF-IHWYPQMZSA-N 2 2 295.427 0.723 20 0 CCADLP CCN(C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000891527262 614603720 /nfs/dbraw/zinc/60/37/20/614603720.db2.gz HMNVPDMOIVTQCL-UONOGXRCSA-N 2 2 297.447 0.016 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000912615947 614663443 /nfs/dbraw/zinc/66/34/43/614663443.db2.gz WXGTVDGILRZACH-NWDGAFQWSA-N 2 2 280.372 0.444 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000912615947 614663446 /nfs/dbraw/zinc/66/34/46/614663446.db2.gz WXGTVDGILRZACH-NWDGAFQWSA-N 2 2 280.372 0.444 20 0 CCADLP CCN(C(=O)[C@H]1CC[N@H+](CC(C)C)C1)C1C[NH+](CCO)C1 ZINC000950501297 614677612 /nfs/dbraw/zinc/67/76/12/614677612.db2.gz XOOXJXLPTKOLFY-AWEZNQCLSA-N 2 2 297.443 0.489 20 0 CCADLP CCN(C(=O)[C@H]1CC[N@@H+](CC(C)C)C1)C1C[NH+](CCO)C1 ZINC000950501297 614677617 /nfs/dbraw/zinc/67/76/17/614677617.db2.gz XOOXJXLPTKOLFY-AWEZNQCLSA-N 2 2 297.443 0.489 20 0 CCADLP CCN(C(=O)[C@H]1C[N@H+](C)CCO1)C1C[NH+](CCC(C)C)C1 ZINC000949830190 614684639 /nfs/dbraw/zinc/68/46/39/614684639.db2.gz FVZPZKMOFGPICW-OAHLLOKOSA-N 2 2 297.443 0.896 20 0 CCADLP CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)C1C[NH+](CCC(C)C)C1 ZINC000949830190 614684643 /nfs/dbraw/zinc/68/46/43/614684643.db2.gz FVZPZKMOFGPICW-OAHLLOKOSA-N 2 2 297.443 0.896 20 0 CCADLP CC1(C)C[NH2+]C[C@@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000884211675 614705739 /nfs/dbraw/zinc/70/57/39/614705739.db2.gz LITDJYUSMMASRC-GFCCVEGCSA-N 2 2 283.416 0.459 20 0 CCADLP CC1(C)C[NH2+]C[C@@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000884211675 614705741 /nfs/dbraw/zinc/70/57/41/614705741.db2.gz LITDJYUSMMASRC-GFCCVEGCSA-N 2 2 283.416 0.459 20 0 CCADLP CC1(C)C[NH2+]C[C@H]1[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000903824635 614709811 /nfs/dbraw/zinc/70/98/11/614709811.db2.gz SFLISOBDHYTLCX-CYBMUJFWSA-N 2 2 287.363 0.870 20 0 CCADLP CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000960645011 614830425 /nfs/dbraw/zinc/83/04/25/614830425.db2.gz NTDZWRLYXNGUOU-CXTNEJHOSA-N 2 2 288.395 0.902 20 0 CCADLP CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000960645011 614830427 /nfs/dbraw/zinc/83/04/27/614830427.db2.gz NTDZWRLYXNGUOU-CXTNEJHOSA-N 2 2 288.395 0.902 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(N(C)CC(F)F)CC1 ZINC000846828570 614850046 /nfs/dbraw/zinc/85/00/46/614850046.db2.gz LJMZUOKQNAGRGH-CYBMUJFWSA-N 2 2 293.402 0.960 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(N(C)CC(F)F)CC1 ZINC000846828570 614850048 /nfs/dbraw/zinc/85/00/48/614850048.db2.gz LJMZUOKQNAGRGH-CYBMUJFWSA-N 2 2 293.402 0.960 20 0 CCADLP CC1([NH+]2CCC2)CC[NH+](CCN2CCOCC2)CC1 ZINC000880473020 614912710 /nfs/dbraw/zinc/91/27/10/614912710.db2.gz LYYVCJHFJVLBLT-UHFFFAOYSA-N 2 2 267.417 0.879 20 0 CCADLP CCCOC(=O)[C@@H](C)[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000843377081 614929852 /nfs/dbraw/zinc/92/98/52/614929852.db2.gz OEAPUDPVPSGQMG-OLZOCXBDSA-N 2 2 299.415 0.648 20 0 CCADLP CCCOC(=O)[C@@H](C)[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000843377081 614929856 /nfs/dbraw/zinc/92/98/56/614929856.db2.gz OEAPUDPVPSGQMG-OLZOCXBDSA-N 2 2 299.415 0.648 20 0 CCADLP CC[NH2+]CC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000844186163 615077941 /nfs/dbraw/zinc/07/79/41/615077941.db2.gz VCSNZVDLLKGHJS-UHFFFAOYSA-N 2 2 257.378 0.165 20 0 CCADLP CC[NH2+]C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000960178298 615088631 /nfs/dbraw/zinc/08/86/31/615088631.db2.gz JVCBYJHYBHXPMI-NSHDSACASA-N 2 2 250.346 0.943 20 0 CCADLP CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000984082506 615094455 /nfs/dbraw/zinc/09/44/55/615094455.db2.gz PIQXDYCRNOJOAV-AVGNSLFASA-N 2 2 276.384 0.950 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000862106022 615111179 /nfs/dbraw/zinc/11/11/79/615111179.db2.gz ZDMSLGNGHGGGDN-YMAMQOFZSA-N 2 2 295.427 0.840 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000862106022 615111180 /nfs/dbraw/zinc/11/11/80/615111180.db2.gz ZDMSLGNGHGGGDN-YMAMQOFZSA-N 2 2 295.427 0.840 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]CCC(=O)N(C)OC ZINC000819049810 615116211 /nfs/dbraw/zinc/11/62/11/615116211.db2.gz GDDOBGQOIGKSKD-LBPRGKRZSA-N 2 2 257.378 0.860 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C[NH2+]CCC(=O)N(C)OC ZINC000819049810 615116213 /nfs/dbraw/zinc/11/62/13/615116213.db2.gz GDDOBGQOIGKSKD-LBPRGKRZSA-N 2 2 257.378 0.860 20 0 CCADLP CC[N@@H+]1CCC[C@H](N2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)C1 ZINC000925290360 615137673 /nfs/dbraw/zinc/13/76/73/615137673.db2.gz BHQHNIMBCPYZMB-RYUDHWBXSA-N 2 2 291.355 0.357 20 0 CCADLP CC[N@H+]1CCC[C@H](N2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)C1 ZINC000925290360 615137674 /nfs/dbraw/zinc/13/76/74/615137674.db2.gz BHQHNIMBCPYZMB-RYUDHWBXSA-N 2 2 291.355 0.357 20 0 CCADLP CC[N@@H+]1CCC[C@H](N2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)C1 ZINC000925290360 615137675 /nfs/dbraw/zinc/13/76/75/615137675.db2.gz BHQHNIMBCPYZMB-RYUDHWBXSA-N 2 2 291.355 0.357 20 0 CCADLP CC[N@H+]1CCC[C@H](N2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)C1 ZINC000925290360 615137676 /nfs/dbraw/zinc/13/76/76/615137676.db2.gz BHQHNIMBCPYZMB-RYUDHWBXSA-N 2 2 291.355 0.357 20 0 CCADLP CC[N@@H+]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000804380316 615149012 /nfs/dbraw/zinc/14/90/12/615149012.db2.gz HNXFAUAQBLENHM-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP CC[N@H+]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000804380316 615149013 /nfs/dbraw/zinc/14/90/13/615149013.db2.gz HNXFAUAQBLENHM-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000890060515 615249760 /nfs/dbraw/zinc/24/97/60/615249760.db2.gz UMLAKNYNAQZBDQ-MCIONIFRSA-N 2 2 296.415 0.243 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000890060515 615249762 /nfs/dbraw/zinc/24/97/62/615249762.db2.gz UMLAKNYNAQZBDQ-MCIONIFRSA-N 2 2 296.415 0.243 20 0 CCADLP CC[NH+]1CC[C@@H]1CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000890060515 615249764 /nfs/dbraw/zinc/24/97/64/615249764.db2.gz UMLAKNYNAQZBDQ-MCIONIFRSA-N 2 2 296.415 0.243 20 0 CCADLP CC[NH+]1CC[C@@H]1CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000890060515 615249766 /nfs/dbraw/zinc/24/97/66/615249766.db2.gz UMLAKNYNAQZBDQ-MCIONIFRSA-N 2 2 296.415 0.243 20 0 CCADLP CCOCC[N@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903903840 615249811 /nfs/dbraw/zinc/24/98/11/615249811.db2.gz XEOUTEUVFCXBEU-GFCCVEGCSA-N 2 2 267.377 0.671 20 0 CCADLP CCOCC[N@@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903903840 615249813 /nfs/dbraw/zinc/24/98/13/615249813.db2.gz XEOUTEUVFCXBEU-GFCCVEGCSA-N 2 2 267.377 0.671 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1 ZINC000883523716 615252634 /nfs/dbraw/zinc/25/26/34/615252634.db2.gz BPBZWHZCLBPSBO-YNEHKIRRSA-N 2 2 284.404 0.099 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1 ZINC000883523716 615252635 /nfs/dbraw/zinc/25/26/35/615252635.db2.gz BPBZWHZCLBPSBO-YNEHKIRRSA-N 2 2 284.404 0.099 20 0 CCADLP CC[NH+]1CC[C@@H]1CNC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000883523716 615252636 /nfs/dbraw/zinc/25/26/36/615252636.db2.gz BPBZWHZCLBPSBO-YNEHKIRRSA-N 2 2 284.404 0.099 20 0 CCADLP CC[NH+]1CC[C@@H]1CNC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000883523716 615252637 /nfs/dbraw/zinc/25/26/37/615252637.db2.gz BPBZWHZCLBPSBO-YNEHKIRRSA-N 2 2 284.404 0.099 20 0 CCADLP CCOCCOCCN1C[C@@H](c2c[nH+]cn2C)[C@H]([NH3+])C1 ZINC000923419039 615275232 /nfs/dbraw/zinc/27/52/32/615275232.db2.gz DAUNJTRSPAMRBL-CHWSQXEVSA-N 2 2 282.388 0.200 20 0 CCADLP CCON(C)C(=O)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858184896 615338138 /nfs/dbraw/zinc/33/81/38/615338138.db2.gz WFGTYRLGTGDLCQ-LLVKDONJSA-N 2 2 257.378 0.859 20 0 CCADLP CCON(C)C(=O)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858184896 615338139 /nfs/dbraw/zinc/33/81/39/615338139.db2.gz WFGTYRLGTGDLCQ-LLVKDONJSA-N 2 2 257.378 0.859 20 0 CCADLP CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC000958259137 615408279 /nfs/dbraw/zinc/40/82/79/615408279.db2.gz ZSPIBDOCVFOHCG-AAEUAGOBSA-N 2 2 288.351 0.377 20 0 CCADLP CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC000958259137 615408281 /nfs/dbraw/zinc/40/82/81/615408281.db2.gz ZSPIBDOCVFOHCG-AAEUAGOBSA-N 2 2 288.351 0.377 20 0 CCADLP CC[C@@H](C[N@@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1)OC ZINC000982035573 615474825 /nfs/dbraw/zinc/47/48/25/615474825.db2.gz LEZJYEGHHYRVIA-AWEZNQCLSA-N 2 2 294.399 0.912 20 0 CCADLP CC[C@@H](C[N@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1)OC ZINC000982035573 615474826 /nfs/dbraw/zinc/47/48/26/615474826.db2.gz LEZJYEGHHYRVIA-AWEZNQCLSA-N 2 2 294.399 0.912 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[N@H+](CC)C1 ZINC000922908364 615478740 /nfs/dbraw/zinc/47/87/40/615478740.db2.gz NAXTXZNPHKYCQI-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[N@@H+](CC)C1 ZINC000922908364 615478741 /nfs/dbraw/zinc/47/87/41/615478741.db2.gz NAXTXZNPHKYCQI-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CCO[C@H](CNC(=O)CCCn1cc[nH+]c1)C[NH+](C)C ZINC000831746041 615480687 /nfs/dbraw/zinc/48/06/87/615480687.db2.gz VLJCULBAVXZVPW-CYBMUJFWSA-N 2 2 282.388 0.746 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C12CC[NH+](CC1)C2 ZINC000913808585 615566849 /nfs/dbraw/zinc/56/68/49/615566849.db2.gz FNGOAEYRAAATDW-CYBMUJFWSA-N 2 2 281.400 0.309 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C12CC[NH+](CC1)C2 ZINC000913808585 615566850 /nfs/dbraw/zinc/56/68/50/615566850.db2.gz FNGOAEYRAAATDW-CYBMUJFWSA-N 2 2 281.400 0.309 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])C(C)C ZINC000877432778 615568115 /nfs/dbraw/zinc/56/81/15/615568115.db2.gz GYYFBEMFNNUWKR-NEPJUHHUSA-N 2 2 257.378 0.197 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])C(C)C ZINC000877432778 615568116 /nfs/dbraw/zinc/56/81/16/615568116.db2.gz GYYFBEMFNNUWKR-NEPJUHHUSA-N 2 2 257.378 0.197 20 0 CCADLP CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000903448393 615578592 /nfs/dbraw/zinc/57/85/92/615578592.db2.gz DNIGNLFHLGOGDZ-HZSPNIEDSA-N 2 2 265.401 0.929 20 0 CCADLP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000903448393 615578593 /nfs/dbraw/zinc/57/85/93/615578593.db2.gz DNIGNLFHLGOGDZ-HZSPNIEDSA-N 2 2 265.401 0.929 20 0 CCADLP CC[C@H](C(=O)N1CC[N@H+](C)[C@@H](CO)C1)[NH+](CC)CC ZINC000913548040 615601177 /nfs/dbraw/zinc/60/11/77/615601177.db2.gz BKGATIPNIODOPO-CHWSQXEVSA-N 2 2 271.405 0.242 20 0 CCADLP CC[C@H](C(=O)N1CC[N@@H+](C)[C@@H](CO)C1)[NH+](CC)CC ZINC000913548040 615601179 /nfs/dbraw/zinc/60/11/79/615601179.db2.gz BKGATIPNIODOPO-CHWSQXEVSA-N 2 2 271.405 0.242 20 0 CCADLP CCn1ncc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)n1 ZINC000857086382 615696555 /nfs/dbraw/zinc/69/65/55/615696555.db2.gz KCBXHLGKLCJDSD-KGLIPLIRSA-N 2 2 279.388 0.626 20 0 CCADLP CC[C@H](F)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000961895409 615788801 /nfs/dbraw/zinc/78/88/01/615788801.db2.gz HGKHFMBCUAAHER-PQFRYHKHSA-N 2 2 280.347 0.747 20 0 CCADLP CC[C@H](F)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000961895409 615788802 /nfs/dbraw/zinc/78/88/02/615788802.db2.gz HGKHFMBCUAAHER-PQFRYHKHSA-N 2 2 280.347 0.747 20 0 CCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CCC[N@H+](CCCO)CC1 ZINC000948813174 615827090 /nfs/dbraw/zinc/82/70/90/615827090.db2.gz VXDLYXUNEWBZQZ-AWEZNQCLSA-N 2 2 294.399 0.648 20 0 CCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CCC[N@@H+](CCCO)CC1 ZINC000948813174 615827093 /nfs/dbraw/zinc/82/70/93/615827093.db2.gz VXDLYXUNEWBZQZ-AWEZNQCLSA-N 2 2 294.399 0.648 20 0 CCADLP CN(C(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCC[N@H+](CCO)CC1 ZINC000948886871 615829714 /nfs/dbraw/zinc/82/97/14/615829714.db2.gz RYDMDTVIYLABOE-GFCCVEGCSA-N 2 2 280.372 0.257 20 0 CCADLP CN(C(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCC[N@@H+](CCO)CC1 ZINC000948886871 615829715 /nfs/dbraw/zinc/82/97/15/615829715.db2.gz RYDMDTVIYLABOE-GFCCVEGCSA-N 2 2 280.372 0.257 20 0 CCADLP CN(C)C(=O)c1cccc(C[NH2+]CC2([NH3+])CCOCC2)c1 ZINC000904379720 615836956 /nfs/dbraw/zinc/83/69/56/615836956.db2.gz DCCACGVLQUIMPT-UHFFFAOYSA-N 2 2 291.395 0.986 20 0 CCADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)C1([NH+](C)C)CCC1 ZINC000912614836 615844260 /nfs/dbraw/zinc/84/42/60/615844260.db2.gz PTRCLMNAXHMBHB-SNVBAGLBSA-N 2 2 266.345 0.054 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)/C=C/[C@H]1CCOC1 ZINC000855417567 615878444 /nfs/dbraw/zinc/87/84/44/615878444.db2.gz JVQGKAYVXMGYFF-GJBLVYBDSA-N 2 2 283.416 0.579 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)/C=C/[C@H]1CCOC1 ZINC000855417567 615878446 /nfs/dbraw/zinc/87/84/46/615878446.db2.gz JVQGKAYVXMGYFF-GJBLVYBDSA-N 2 2 283.416 0.579 20 0 CCADLP Cn1cnc(/C=C\C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000824958000 615878635 /nfs/dbraw/zinc/87/86/35/615878635.db2.gz QJBUMFPKPJCCLN-SREVYHEPSA-N 2 2 293.415 0.433 20 0 CCADLP Cn1cnc(/C=C\C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000824958000 615878637 /nfs/dbraw/zinc/87/86/37/615878637.db2.gz QJBUMFPKPJCCLN-SREVYHEPSA-N 2 2 293.415 0.433 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@@H]1CCCCO1 ZINC000855415123 615878762 /nfs/dbraw/zinc/87/87/62/615878762.db2.gz QEHWZWOGECTTAE-AWEZNQCLSA-N 2 2 285.432 0.945 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@@H]1CCCCO1 ZINC000855415123 615878763 /nfs/dbraw/zinc/87/87/63/615878763.db2.gz QEHWZWOGECTTAE-AWEZNQCLSA-N 2 2 285.432 0.945 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870953345 615878892 /nfs/dbraw/zinc/87/88/92/615878892.db2.gz UXYBTWZVYBBOLU-UHFFFAOYSA-N 3 2 296.459 0.518 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870953345 615878894 /nfs/dbraw/zinc/87/88/94/615878894.db2.gz UXYBTWZVYBBOLU-UHFFFAOYSA-N 3 2 296.459 0.518 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC000898669493 615879451 /nfs/dbraw/zinc/87/94/51/615879451.db2.gz PJJMCXCPUWNEKU-AWEZNQCLSA-N 3 2 298.475 0.859 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC000898669493 615879453 /nfs/dbraw/zinc/87/94/53/615879453.db2.gz PJJMCXCPUWNEKU-AWEZNQCLSA-N 3 2 298.475 0.859 20 0 CCADLP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000898669493 615879454 /nfs/dbraw/zinc/87/94/54/615879454.db2.gz PJJMCXCPUWNEKU-AWEZNQCLSA-N 3 2 298.475 0.859 20 0 CCADLP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000898669493 615879457 /nfs/dbraw/zinc/87/94/57/615879457.db2.gz PJJMCXCPUWNEKU-AWEZNQCLSA-N 3 2 298.475 0.859 20 0 CCADLP Cn1cc(NC(=S)NCC[N@H+](C)CCC[NH+](C)C)cn1 ZINC000899537815 615879867 /nfs/dbraw/zinc/87/98/67/615879867.db2.gz DHGURHGDPSRJBS-UHFFFAOYSA-N 2 2 298.460 0.590 20 0 CCADLP Cn1cc(NC(=S)NCC[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000899537815 615879869 /nfs/dbraw/zinc/87/98/69/615879869.db2.gz DHGURHGDPSRJBS-UHFFFAOYSA-N 2 2 298.460 0.590 20 0 CCADLP C[NH+](C)CCN(C(=O)[C@H](O)c1c[nH+]c[nH]1)C1CCCC1 ZINC000865788716 615889464 /nfs/dbraw/zinc/88/94/64/615889464.db2.gz XXIUIVGYRPAISL-CYBMUJFWSA-N 2 2 280.372 0.776 20 0 CCADLP CN(C)CC[N@H+](C)CCCN(C)C(=O)NC[C@H]1CC[NH+]1C ZINC000925423350 615892538 /nfs/dbraw/zinc/89/25/38/615892538.db2.gz PHBMVYFMRNKTOJ-CQSZACIVSA-N 2 2 299.463 0.215 20 0 CCADLP CN(C)CC[N@@H+](C)CCCN(C)C(=O)NC[C@H]1CC[NH+]1C ZINC000925423350 615892541 /nfs/dbraw/zinc/89/25/41/615892541.db2.gz PHBMVYFMRNKTOJ-CQSZACIVSA-N 2 2 299.463 0.215 20 0 CCADLP CN(C)CC[NH+](C)CCCN(C)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925423350 615892544 /nfs/dbraw/zinc/89/25/44/615892544.db2.gz PHBMVYFMRNKTOJ-CQSZACIVSA-N 2 2 299.463 0.215 20 0 CCADLP CN(C)CC[NH+](C)CCCN(C)C(=O)NC[C@H]1CC[N@H+]1C ZINC000925423350 615892546 /nfs/dbraw/zinc/89/25/46/615892546.db2.gz PHBMVYFMRNKTOJ-CQSZACIVSA-N 2 2 299.463 0.215 20 0 CCADLP CN(CCCN(C)C(=O)NC[C@H]1CC[N@@H+]1C)CC[NH+](C)C ZINC000925423350 615892548 /nfs/dbraw/zinc/89/25/48/615892548.db2.gz PHBMVYFMRNKTOJ-CQSZACIVSA-N 2 2 299.463 0.215 20 0 CCADLP CN(CCCN(C)C(=O)NC[C@H]1CC[N@H+]1C)CC[NH+](C)C ZINC000925423350 615892549 /nfs/dbraw/zinc/89/25/49/615892549.db2.gz PHBMVYFMRNKTOJ-CQSZACIVSA-N 2 2 299.463 0.215 20 0 CCADLP CC[C@H](C(=O)NC1CC[NH2+]CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000911628956 615918293 /nfs/dbraw/zinc/91/82/93/615918293.db2.gz QVKJASMSBNWVPD-UONOGXRCSA-N 2 2 283.416 0.744 20 0 CCADLP CC[C@H](C(=O)NC1CC[NH2+]CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000911628956 615918294 /nfs/dbraw/zinc/91/82/94/615918294.db2.gz QVKJASMSBNWVPD-UONOGXRCSA-N 2 2 283.416 0.744 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@H]2CC3(CC3)C(=O)O2)C1 ZINC000878865543 615937157 /nfs/dbraw/zinc/93/71/57/615937157.db2.gz JTUNSRYFCZIGQO-DOMZBBRYSA-N 2 2 282.384 0.471 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@H]2CC3(CC3)C(=O)O2)C1 ZINC000878865543 615937160 /nfs/dbraw/zinc/93/71/60/615937160.db2.gz JTUNSRYFCZIGQO-DOMZBBRYSA-N 2 2 282.384 0.471 20 0 CCADLP C[NH+](C)C[C@H](N)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000876873622 615939993 /nfs/dbraw/zinc/93/99/93/615939993.db2.gz MFGZJKOWOWPWLR-GJZGRUSLSA-N 2 2 290.411 0.391 20 0 CCADLP C[NH+](C)C[C@H](N)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000876873622 615939994 /nfs/dbraw/zinc/93/99/94/615939994.db2.gz MFGZJKOWOWPWLR-GJZGRUSLSA-N 2 2 290.411 0.391 20 0 CCADLP C[NH+](C)Cc1cccc(C(=O)N2CC[N@H+](C)C[C@@H]2CO)c1 ZINC000912743242 615954877 /nfs/dbraw/zinc/95/48/77/615954877.db2.gz RVSYDFQZIZCAIG-OAHLLOKOSA-N 2 2 291.395 0.497 20 0 CCADLP C[NH+](C)Cc1cccc(C(=O)N2CC[N@@H+](C)C[C@@H]2CO)c1 ZINC000912743242 615954879 /nfs/dbraw/zinc/95/48/79/615954879.db2.gz RVSYDFQZIZCAIG-OAHLLOKOSA-N 2 2 291.395 0.497 20 0 CCADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2COCO2)s1 ZINC000894879361 615958683 /nfs/dbraw/zinc/95/86/83/615958683.db2.gz UGZZCJXZWKHICH-SECBINFHSA-N 2 2 257.359 0.667 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCOC3CCOCC3)C[C@H]21 ZINC000931275862 615997582 /nfs/dbraw/zinc/99/75/82/615997582.db2.gz BGGCYFPAELRQOX-WDNDVIMCSA-N 2 2 254.374 0.674 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCOC3CCOCC3)C[C@H]21 ZINC000931275862 615997584 /nfs/dbraw/zinc/99/75/84/615997584.db2.gz BGGCYFPAELRQOX-WDNDVIMCSA-N 2 2 254.374 0.674 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H]3C[C@H]4COC[C@@H]4O3)C[C@H]21 ZINC000931278130 615997655 /nfs/dbraw/zinc/99/76/55/615997655.db2.gz VWHVNBXTSXDNND-ARFNZGECSA-N 2 2 252.358 0.282 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H]3C[C@H]4COC[C@@H]4O3)C[C@H]21 ZINC000931278130 615997659 /nfs/dbraw/zinc/99/76/59/615997659.db2.gz VWHVNBXTSXDNND-ARFNZGECSA-N 2 2 252.358 0.282 20 0 CCADLP CN(C)C(=O)[C@@H]1CC[C@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)O1 ZINC000925629656 616002867 /nfs/dbraw/zinc/00/28/67/616002867.db2.gz LXJSAIBBZAHQPJ-RDBSUJKOSA-N 2 2 295.427 0.887 20 0 CCADLP CN(C)c1cc[nH+]c(CNC(=O)Cc2c[nH+]cn2C)c1 ZINC000927699692 616026780 /nfs/dbraw/zinc/02/67/80/616026780.db2.gz CXNHRJMKGWIATK-UHFFFAOYSA-N 2 2 273.340 0.740 20 0 CCADLP CN(C)c1cc[nH+]c(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)c1 ZINC000897368207 616029140 /nfs/dbraw/zinc/02/91/40/616029140.db2.gz LPUXLVQLDHGFOS-CYBMUJFWSA-N 2 2 290.367 0.807 20 0 CCADLP C[N@H+](CC(=O)NC[C@@H]1C[NH+]2CCN1CC2)CC(C)(C)C ZINC000821135107 616047517 /nfs/dbraw/zinc/04/75/17/616047517.db2.gz OFJNGQWUOPDDLU-CYBMUJFWSA-N 2 2 282.432 0.080 20 0 CCADLP C[N@@H+](CC(=O)NC[C@@H]1C[NH+]2CCN1CC2)CC(C)(C)C ZINC000821135107 616047518 /nfs/dbraw/zinc/04/75/18/616047518.db2.gz OFJNGQWUOPDDLU-CYBMUJFWSA-N 2 2 282.432 0.080 20 0 CCADLP C[N@H+](CC(=O)N[C@@H]1CCn2c[nH+]cc2C1)C1CCC1 ZINC000857962902 616048838 /nfs/dbraw/zinc/04/88/38/616048838.db2.gz NXMHXJIVMJHNNN-LLVKDONJSA-N 2 2 262.357 0.798 20 0 CCADLP C[N@@H+](CC(=O)N[C@@H]1CCn2c[nH+]cc2C1)C1CCC1 ZINC000857962902 616048839 /nfs/dbraw/zinc/04/88/39/616048839.db2.gz NXMHXJIVMJHNNN-LLVKDONJSA-N 2 2 262.357 0.798 20 0 CCADLP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000866283410 616059474 /nfs/dbraw/zinc/05/94/74/616059474.db2.gz XUXNERCRJDJEBK-JSGCOSHPSA-N 2 2 292.383 0.633 20 0 CCADLP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000866283410 616059475 /nfs/dbraw/zinc/05/94/75/616059475.db2.gz XUXNERCRJDJEBK-JSGCOSHPSA-N 2 2 292.383 0.633 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H](O)CC(C)(C)O ZINC000878319003 616076845 /nfs/dbraw/zinc/07/68/45/616076845.db2.gz HBIGTNWTOHKQFV-GFCCVEGCSA-N 2 2 255.362 0.727 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H](O)CC(C)(C)O ZINC000878319003 616076846 /nfs/dbraw/zinc/07/68/46/616076846.db2.gz HBIGTNWTOHKQFV-GFCCVEGCSA-N 2 2 255.362 0.727 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]C(C)(C)C(=O)N1CCCC1)C1CC1 ZINC000809997524 616131411 /nfs/dbraw/zinc/13/14/11/616131411.db2.gz BYSUINGHUAZLTA-ZDUSSCGKSA-N 2 2 283.416 0.432 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]C(C)(C)C(=O)N1CCCC1)C1CC1 ZINC000809997524 616131413 /nfs/dbraw/zinc/13/14/13/616131413.db2.gz BYSUINGHUAZLTA-ZDUSSCGKSA-N 2 2 283.416 0.432 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1C[C@H](O)CC(C)(C)C1)C1CC1 ZINC000879624704 616131505 /nfs/dbraw/zinc/13/15/05/616131505.db2.gz ZNXFGSVJXWHRBQ-CHWSQXEVSA-N 2 2 256.390 0.534 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1C[C@H](O)CC(C)(C)C1)C1CC1 ZINC000879624704 616131506 /nfs/dbraw/zinc/13/15/06/616131506.db2.gz ZNXFGSVJXWHRBQ-CHWSQXEVSA-N 2 2 256.390 0.534 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1C[C@H](O)CC(C)(C)C1)C1CC1 ZINC000879624704 616131508 /nfs/dbraw/zinc/13/15/08/616131508.db2.gz ZNXFGSVJXWHRBQ-CHWSQXEVSA-N 2 2 256.390 0.534 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1C[C@H](O)CC(C)(C)C1)C1CC1 ZINC000879624704 616131509 /nfs/dbraw/zinc/13/15/09/616131509.db2.gz ZNXFGSVJXWHRBQ-CHWSQXEVSA-N 2 2 256.390 0.534 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]C1COC(C)(C)OC1)C1CC1 ZINC000819225823 616131630 /nfs/dbraw/zinc/13/16/30/616131630.db2.gz HIPLNLZDZCLUHD-LBPRGKRZSA-N 2 2 258.362 0.183 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]C1COC(C)(C)OC1)C1CC1 ZINC000819225823 616131631 /nfs/dbraw/zinc/13/16/31/616131631.db2.gz HIPLNLZDZCLUHD-LBPRGKRZSA-N 2 2 258.362 0.183 20 0 CCADLP C[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3cnon3)C2)CC1 ZINC000969814632 616166615 /nfs/dbraw/zinc/16/66/15/616166615.db2.gz ORSQZQFOXYIERO-GFCCVEGCSA-N 2 2 293.371 0.102 20 0 CCADLP C[N@@H+]1CCCC[C@H](CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000897563793 616182218 /nfs/dbraw/zinc/18/22/18/616182218.db2.gz LLMAJXHCFHVYOK-CHWSQXEVSA-N 2 2 291.399 0.839 20 0 CCADLP C[N@H+]1CCCC[C@H](CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000897563793 616182219 /nfs/dbraw/zinc/18/22/19/616182219.db2.gz LLMAJXHCFHVYOK-CHWSQXEVSA-N 2 2 291.399 0.839 20 0 CCADLP C[N@@H+]1CCC[C@@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000909915363 616187329 /nfs/dbraw/zinc/18/73/29/616187329.db2.gz WKOXRYGTGFPRES-NSHDSACASA-N 2 2 250.346 0.800 20 0 CCADLP C[N@H+]1CCC[C@@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000909915363 616187330 /nfs/dbraw/zinc/18/73/30/616187330.db2.gz WKOXRYGTGFPRES-NSHDSACASA-N 2 2 250.346 0.800 20 0 CCADLP C[N@@H+]1CCC[C@H](N2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC000827908550 616206407 /nfs/dbraw/zinc/20/64/07/616206407.db2.gz OFRZQAFPSNHSNV-ZDUSSCGKSA-N 2 2 291.399 0.191 20 0 CCADLP C[N@H+]1CCC[C@H](N2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC000827908550 616206408 /nfs/dbraw/zinc/20/64/08/616206408.db2.gz OFRZQAFPSNHSNV-ZDUSSCGKSA-N 2 2 291.399 0.191 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000811891385 616207514 /nfs/dbraw/zinc/20/75/14/616207514.db2.gz BAQUMDSIPNIMEX-JTQLQIEISA-N 2 2 251.334 0.314 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000811891385 616207515 /nfs/dbraw/zinc/20/75/15/616207515.db2.gz BAQUMDSIPNIMEX-JTQLQIEISA-N 2 2 251.334 0.314 20 0 CCADLP C[N@@H+]1CCC[C@H]2C[NH+](CN3C[C@@H]4C[C@@H]4C3=O)CC[C@@H]21 ZINC000902185048 616215572 /nfs/dbraw/zinc/21/55/72/616215572.db2.gz DKOHXPWXWDCHQO-XUXIUFHCSA-N 2 2 263.385 0.838 20 0 CCADLP C[N@H+]1CCC[C@H]2C[NH+](CN3C[C@@H]4C[C@@H]4C3=O)CC[C@@H]21 ZINC000902185048 616215573 /nfs/dbraw/zinc/21/55/73/616215573.db2.gz DKOHXPWXWDCHQO-XUXIUFHCSA-N 2 2 263.385 0.838 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@H+](CN3C[C@@H]4C[C@@H]4C3=O)CC[C@@H]21 ZINC000902185048 616215574 /nfs/dbraw/zinc/21/55/74/616215574.db2.gz DKOHXPWXWDCHQO-XUXIUFHCSA-N 2 2 263.385 0.838 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@@H+](CN3C[C@@H]4C[C@@H]4C3=O)CC[C@@H]21 ZINC000902185048 616215575 /nfs/dbraw/zinc/21/55/75/616215575.db2.gz DKOHXPWXWDCHQO-XUXIUFHCSA-N 2 2 263.385 0.838 20 0 CCADLP C[NH+]1CCN(C(=O)N2CCc3sc(C[NH3+])nc3C2)CC1 ZINC000892885200 616225220 /nfs/dbraw/zinc/22/52/20/616225220.db2.gz PUEPBQKZNNVXIY-UHFFFAOYSA-N 2 2 295.412 0.327 20 0 CCADLP C[NH+]1CCN(C2CCN(C(=O)[C@@H]3CCCC[NH2+]3)CC2)CC1 ZINC000877252100 616238904 /nfs/dbraw/zinc/23/89/04/616238904.db2.gz ZPPDQCYQXNVGQC-HNNXBMFYSA-N 2 2 294.443 0.367 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)NCC(C)(C)n2cc[nH+]c2)C1 ZINC000898901546 616266023 /nfs/dbraw/zinc/26/60/23/616266023.db2.gz BIUDMZVUHXPVBC-LLVKDONJSA-N 2 2 250.346 0.686 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)NCC(C)(C)n2cc[nH+]c2)C1 ZINC000898901546 616266024 /nfs/dbraw/zinc/26/60/24/616266024.db2.gz BIUDMZVUHXPVBC-LLVKDONJSA-N 2 2 250.346 0.686 20 0 CCADLP C[N@@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000925393816 616290986 /nfs/dbraw/zinc/29/09/86/616290986.db2.gz KDMDXGDVPMMFIZ-ZIAGYGMSSA-N 2 2 296.415 0.197 20 0 CCADLP C[N@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000925393816 616290990 /nfs/dbraw/zinc/29/09/90/616290990.db2.gz KDMDXGDVPMMFIZ-ZIAGYGMSSA-N 2 2 296.415 0.197 20 0 CCADLP C[N@@H+]1CC[C@@H]1CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000921488441 616294470 /nfs/dbraw/zinc/29/44/70/616294470.db2.gz VUXIJVCIVFWKRZ-GFCCVEGCSA-N 2 2 273.340 0.838 20 0 CCADLP C[N@H+]1CC[C@@H]1CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000921488441 616294472 /nfs/dbraw/zinc/29/44/72/616294472.db2.gz VUXIJVCIVFWKRZ-GFCCVEGCSA-N 2 2 273.340 0.838 20 0 CCADLP COC(=O)/C=C(\C)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000931549031 616311347 /nfs/dbraw/zinc/31/13/47/616311347.db2.gz MUARCDARTUHSBI-WYMLVPIESA-N 2 2 295.427 0.818 20 0 CCADLP COCC[N@@H+]1CCC[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000948887123 616341457 /nfs/dbraw/zinc/34/14/57/616341457.db2.gz WFFPUEDZNULVDC-CYBMUJFWSA-N 2 2 294.399 0.912 20 0 CCADLP COCC[N@H+]1CCC[C@@H](N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000948887123 616341462 /nfs/dbraw/zinc/34/14/62/616341462.db2.gz WFFPUEDZNULVDC-CYBMUJFWSA-N 2 2 294.399 0.912 20 0 CCADLP COC/C(C)=C/C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000845492013 616368633 /nfs/dbraw/zinc/36/86/33/616368633.db2.gz AFBSDFFTYYMMRX-JWAFFJSPSA-N 2 2 295.427 0.864 20 0 CCADLP COC/C(C)=C/C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000845492013 616368638 /nfs/dbraw/zinc/36/86/38/616368638.db2.gz AFBSDFFTYYMMRX-JWAFFJSPSA-N 2 2 295.427 0.864 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC000886615772 616369989 /nfs/dbraw/zinc/36/99/89/616369989.db2.gz NNCVXFFMXVSPML-HZSPNIEDSA-N 2 2 284.400 0.765 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)C1 ZINC000886615772 616369993 /nfs/dbraw/zinc/36/99/93/616369993.db2.gz NNCVXFFMXVSPML-HZSPNIEDSA-N 2 2 284.400 0.765 20 0 CCADLP COC(=O)[C@H]1CN(Cc2[nH]c(C)[nH+]c2C)CC[N@H+](C)C1 ZINC000930713153 616386871 /nfs/dbraw/zinc/38/68/71/616386871.db2.gz CLXKHBCPSDMRRI-GFCCVEGCSA-N 2 2 280.372 0.563 20 0 CCADLP COC(=O)[C@H]1CN(Cc2[nH]c(C)[nH+]c2C)CC[N@@H+](C)C1 ZINC000930713153 616386874 /nfs/dbraw/zinc/38/68/74/616386874.db2.gz CLXKHBCPSDMRRI-GFCCVEGCSA-N 2 2 280.372 0.563 20 0 CCADLP C[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3)C[C@@]2(C)C1 ZINC000913276765 616392958 /nfs/dbraw/zinc/39/29/58/616392958.db2.gz LZAIRBKIBBSUGY-OKILXGFUSA-N 2 2 262.357 0.683 20 0 CCADLP C[N@H+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3)C[C@@]2(C)C1 ZINC000913276765 616392963 /nfs/dbraw/zinc/39/29/63/616392963.db2.gz LZAIRBKIBBSUGY-OKILXGFUSA-N 2 2 262.357 0.683 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@@H](C)O1 ZINC000903769857 616393846 /nfs/dbraw/zinc/39/38/46/616393846.db2.gz PVQHWHOSWLPZIA-UKTARXLSSA-N 2 2 298.383 0.017 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@@H](C)O1 ZINC000903769857 616393849 /nfs/dbraw/zinc/39/38/49/616393849.db2.gz PVQHWHOSWLPZIA-UKTARXLSSA-N 2 2 298.383 0.017 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@@H](C)O1 ZINC000903769854 616395887 /nfs/dbraw/zinc/39/58/87/616395887.db2.gz PVQHWHOSWLPZIA-CXTNEJHOSA-N 2 2 298.383 0.017 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@@H](C)O1 ZINC000903769854 616395891 /nfs/dbraw/zinc/39/58/91/616395891.db2.gz PVQHWHOSWLPZIA-CXTNEJHOSA-N 2 2 298.383 0.017 20 0 CCADLP CN1C[C@H](CC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1=O ZINC000925814263 616431445 /nfs/dbraw/zinc/43/14/45/616431445.db2.gz ZXWOIMCEGROHPM-ZLDLUXBVSA-N 2 2 281.400 0.211 20 0 CCADLP COC1(OC)CC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000924752304 616485001 /nfs/dbraw/zinc/48/50/01/616485001.db2.gz AHTIBKLZMQPWEI-VXGBXAGGSA-N 2 2 258.362 0.184 20 0 CCADLP COCC[NH2+]C1CC[NH+](CCO[C@@H]2CCOC2)CC1 ZINC000923390285 616506477 /nfs/dbraw/zinc/50/64/77/616506477.db2.gz WKDOPOGNDGEHJX-CQSZACIVSA-N 2 2 272.389 0.492 20 0 CCADLP COC(=O)[C@@H]1[C@@H](C[NH2+][C@H]2CCn3cc[nH+]c3C2)C1(F)F ZINC000894492585 616506572 /nfs/dbraw/zinc/50/65/72/616506572.db2.gz CUAFUNSTJZOVMZ-NGZCFLSTSA-N 2 2 285.294 0.842 20 0 CCADLP COCC[NH2+]CC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000867998961 616508614 /nfs/dbraw/zinc/50/86/14/616508614.db2.gz NGJCVHRHPGQOOD-AWEZNQCLSA-N 2 2 277.368 0.525 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000894913239 616510614 /nfs/dbraw/zinc/51/06/14/616510614.db2.gz LRUNETUGLSVLQZ-PHIMTYICSA-N 2 2 263.345 0.123 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000894913239 616510618 /nfs/dbraw/zinc/51/06/18/616510618.db2.gz LRUNETUGLSVLQZ-PHIMTYICSA-N 2 2 263.345 0.123 20 0 CCADLP COCC[C@H](C)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883370494 616661611 /nfs/dbraw/zinc/66/16/11/616661611.db2.gz MOXCMTUDZFVDHV-JKSUJKDBSA-N 2 2 299.459 0.798 20 0 CCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000820500458 616686754 /nfs/dbraw/zinc/68/67/54/616686754.db2.gz BWTMCTKXKQQQJK-ZDUSSCGKSA-N 2 2 297.399 0.178 20 0 CCADLP COC[C@H](O)CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925659680 616734329 /nfs/dbraw/zinc/73/43/29/616734329.db2.gz FKQIFZCDDPPXLV-HZSPNIEDSA-N 2 2 256.390 0.990 20 0 CCADLP COC[C@H](O)CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925659680 616734334 /nfs/dbraw/zinc/73/43/34/616734334.db2.gz FKQIFZCDDPPXLV-HZSPNIEDSA-N 2 2 256.390 0.990 20 0 CCADLP COC(=O)[C@]1(C)CC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903898171 616762659 /nfs/dbraw/zinc/76/26/59/616762659.db2.gz LINNCHPXCYYGGK-GZMMTYOYSA-N 2 2 250.289 0.854 20 0 CCADLP CO[C@@H]1C[N@H+](C[C@H](O)COCC(C)C)[C@](C)(C[NH3+])C1 ZINC000923410427 616774341 /nfs/dbraw/zinc/77/43/41/616774341.db2.gz HLXZSIBBFFEOKW-IHRRRGAJSA-N 2 2 274.405 0.458 20 0 CCADLP CO[C@@H]1C[N@@H+](C[C@H](O)COCC(C)C)[C@](C)(C[NH3+])C1 ZINC000923410427 616774342 /nfs/dbraw/zinc/77/43/42/616774342.db2.gz HLXZSIBBFFEOKW-IHRRRGAJSA-N 2 2 274.405 0.458 20 0 CCADLP COC[C@@H](C)OC[C@H](O)C[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000923393479 616836939 /nfs/dbraw/zinc/83/69/39/616836939.db2.gz RBVZVQJALOHPDM-FEWQNLEASA-N 2 2 286.416 0.602 20 0 CCADLP COC[C@@H](C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C(C)C ZINC000903448486 616851956 /nfs/dbraw/zinc/85/19/56/616851956.db2.gz GOVRTKCEGLMIRA-HUUCEWRRSA-N 2 2 297.443 0.801 20 0 CCADLP COC[C@@H](C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C(C)C ZINC000903448486 616851960 /nfs/dbraw/zinc/85/19/60/616851960.db2.gz GOVRTKCEGLMIRA-HUUCEWRRSA-N 2 2 297.443 0.801 20 0 CCADLP C[NH2+]CC[N@H+](C[C@H](O)COC1CCOCC1)C(C)C ZINC000923433752 616958307 /nfs/dbraw/zinc/95/83/07/616958307.db2.gz WNXLPYCZXIPPMA-ZDUSSCGKSA-N 2 2 274.405 0.473 20 0 CCADLP C[NH2+]CC[N@@H+](C[C@H](O)COC1CCOCC1)C(C)C ZINC000923433752 616958310 /nfs/dbraw/zinc/95/83/10/616958310.db2.gz WNXLPYCZXIPPMA-ZDUSSCGKSA-N 2 2 274.405 0.473 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCSC[C@H]1C ZINC000934297303 616967737 /nfs/dbraw/zinc/96/77/37/616967737.db2.gz FLFGMJFOVVIWOI-OLZOCXBDSA-N 2 2 276.446 0.753 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCSC[C@H]1C ZINC000934297303 616967739 /nfs/dbraw/zinc/96/77/39/616967739.db2.gz FLFGMJFOVVIWOI-OLZOCXBDSA-N 2 2 276.446 0.753 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCSC[C@H]1C ZINC000934297303 616967741 /nfs/dbraw/zinc/96/77/41/616967741.db2.gz FLFGMJFOVVIWOI-OLZOCXBDSA-N 2 2 276.446 0.753 20 0 CCADLP C[NH2+]CCOc1cccc(C(=O)NCCn2cc[nH+]c2)c1 ZINC000884179044 616970400 /nfs/dbraw/zinc/97/04/00/616970400.db2.gz CYOJWBVHUGRYMF-UHFFFAOYSA-N 2 2 288.351 0.911 20 0 CCADLP C[NH2+]CCOc1ccccc1C(=O)NCCc1[nH]cc[nH+]1 ZINC000884220676 616971057 /nfs/dbraw/zinc/97/10/57/616971057.db2.gz ZTEASBOWQQNCJA-UHFFFAOYSA-N 2 2 288.351 0.980 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903717181 616984328 /nfs/dbraw/zinc/98/43/28/616984328.db2.gz JDWOGHXLBLZXEB-MJBXVCDLSA-N 3 2 253.390 0.439 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903717181 616984332 /nfs/dbraw/zinc/98/43/32/616984332.db2.gz JDWOGHXLBLZXEB-MJBXVCDLSA-N 3 2 253.390 0.439 20 0 CCADLP CNS(=O)(=O)CCC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931312047 617009522 /nfs/dbraw/zinc/00/95/22/617009522.db2.gz UBUFWVNYVZMWLV-CHWSQXEVSA-N 2 2 289.445 0.199 20 0 CCADLP CON(C)C(=O)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000895040561 617038093 /nfs/dbraw/zinc/03/80/93/617038093.db2.gz JVDYMMYYMUGAPE-UHFFFAOYSA-N 2 2 257.378 0.859 20 0 CCADLP C[NH2+][C@@H](CC(C)C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000884212166 617045535 /nfs/dbraw/zinc/04/55/35/617045535.db2.gz XPVQSBUVLMPWIJ-ZDUSSCGKSA-N 2 2 285.432 0.848 20 0 CCADLP C[NH2+][C@@H](CC(C)C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000884212166 617045539 /nfs/dbraw/zinc/04/55/39/617045539.db2.gz XPVQSBUVLMPWIJ-ZDUSSCGKSA-N 2 2 285.432 0.848 20 0 CCADLP CNc1cc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)nc[nH+]1 ZINC000894624808 617056371 /nfs/dbraw/zinc/05/63/71/617056371.db2.gz NVUIIHGBILKILJ-GFCCVEGCSA-N 2 2 277.372 0.554 20 0 CCADLP CNc1cc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)nc[nH+]1 ZINC000894624808 617056373 /nfs/dbraw/zinc/05/63/73/617056373.db2.gz NVUIIHGBILKILJ-GFCCVEGCSA-N 2 2 277.372 0.554 20 0 CCADLP CNc1cc(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)nc[nH+]1 ZINC000897219411 617060064 /nfs/dbraw/zinc/06/00/64/617060064.db2.gz KPBDDJPSHKIKAV-NWDGAFQWSA-N 2 2 277.372 0.554 20 0 CCADLP CNc1cc(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)nc[nH+]1 ZINC000897219411 617060068 /nfs/dbraw/zinc/06/00/68/617060068.db2.gz KPBDDJPSHKIKAV-NWDGAFQWSA-N 2 2 277.372 0.554 20 0 CCADLP CNc1cc(NC[C@H](C)N2CC[NH+](C)CC2)nc[nH+]1 ZINC000892279700 617060840 /nfs/dbraw/zinc/06/08/40/617060840.db2.gz BWWDDNHITQBIIT-NSHDSACASA-N 2 2 264.377 0.566 20 0 CCADLP CNc1ccccc1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000902119730 617065871 /nfs/dbraw/zinc/06/58/71/617065871.db2.gz BAXPNYRRNAEPTH-UHFFFAOYSA-N 2 2 276.384 0.592 20 0 CCADLP CON1CCC([NH2+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000926223166 617088759 /nfs/dbraw/zinc/08/87/59/617088759.db2.gz BLAPEJSSIULWAB-LBPRGKRZSA-N 2 2 250.346 0.813 20 0 CCADLP CON1CC[C@H]([NH+]2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)C1=O ZINC000931318858 617099439 /nfs/dbraw/zinc/09/94/39/617099439.db2.gz VHNOIUOPCOAPMA-IACUBPJLSA-N 2 2 267.373 0.422 20 0 CCADLP OCC1(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)COC1 ZINC000925583943 625430664 /nfs/dbraw/zinc/43/06/64/625430664.db2.gz JGWDPVKMSOEKBN-OLZOCXBDSA-N 2 2 254.374 0.602 20 0 CCADLP OCC1(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)COC1 ZINC000925583943 625430666 /nfs/dbraw/zinc/43/06/66/625430666.db2.gz JGWDPVKMSOEKBN-OLZOCXBDSA-N 2 2 254.374 0.602 20 0 CCADLP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C1(S(C)(=O)=O)CC1 ZINC000925671067 625492003 /nfs/dbraw/zinc/49/20/03/625492003.db2.gz PYFWGHMACNKJEO-MCDVFOBDSA-N 2 2 284.425 0.538 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1c[nH+]cn1C ZINC000892078239 622567427 /nfs/dbraw/zinc/56/74/27/622567427.db2.gz NWDXZYCZZUBULK-KOLCDFICSA-N 2 2 251.334 0.217 20 0 CCADLP C[C@@H](CNc1nccn2c[nH+]cc12)N1CC[NH+](C)CC1 ZINC000892280367 622771592 /nfs/dbraw/zinc/77/15/92/622771592.db2.gz IHPIFDMHEKBAGS-LBPRGKRZSA-N 2 2 274.372 0.777 20 0 CCADLP Cc1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C2)o1 ZINC001022889590 622836552 /nfs/dbraw/zinc/83/65/52/622836552.db2.gz QEGUXWQACYPVGI-PHIMTYICSA-N 2 2 289.339 0.686 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CC2)C1 ZINC001022977107 622875940 /nfs/dbraw/zinc/87/59/40/622875940.db2.gz VKCQNIIGRJKHBH-BETUJISGSA-N 2 2 276.384 1.000 20 0 CCADLP CCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001022976830 622876214 /nfs/dbraw/zinc/87/62/14/622876214.db2.gz KDHIZKDWFZIJPV-PHIMTYICSA-N 2 2 250.346 0.609 20 0 CCADLP CCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001023025614 622886870 /nfs/dbraw/zinc/88/68/70/622886870.db2.gz NVXNFHYJGUGIJV-PHIMTYICSA-N 2 2 250.346 0.907 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC2)C1 ZINC001023024993 622887279 /nfs/dbraw/zinc/88/72/79/622887279.db2.gz PWVMJGKLDZGZBC-TXEJJXNPSA-N 2 2 262.357 0.907 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892558178 623533504 /nfs/dbraw/zinc/53/35/04/623533504.db2.gz NWDSUSGZEZXUIN-UPJWGTAASA-N 2 2 284.404 0.086 20 0 CCADLP O[C@H](C[NH2+]Cc1cn2ccnc2s1)C[NH+]1CCCC1 ZINC000892669683 623650446 /nfs/dbraw/zinc/65/04/46/623650446.db2.gz JPANIDUBHGUMRB-LLVKDONJSA-N 2 2 280.397 0.942 20 0 CCADLP COCC[NH2+]CC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000166468091 623709538 /nfs/dbraw/zinc/70/95/38/623709538.db2.gz OHLQMVALXSVGBT-UHFFFAOYSA-N 2 2 281.356 0.559 20 0 CCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCF)C1)C2 ZINC000969135710 624466929 /nfs/dbraw/zinc/46/69/29/624466929.db2.gz NLVMPAUERVBKPG-NWDGAFQWSA-N 2 2 294.374 0.983 20 0 CCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[C@@H]([NH2+]CCF)C1)CC2 ZINC000969135710 624466934 /nfs/dbraw/zinc/46/69/34/624466934.db2.gz NLVMPAUERVBKPG-NWDGAFQWSA-N 2 2 294.374 0.983 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000969317985 624485085 /nfs/dbraw/zinc/48/50/85/624485085.db2.gz OJLVFCZKYLHORJ-VXGBXAGGSA-N 2 2 288.351 0.519 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH2+][C@H]2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)O1 ZINC001020819335 624606997 /nfs/dbraw/zinc/60/69/97/624606997.db2.gz UNLDLJKWDCRQDS-LPWJVIDDSA-N 2 2 292.383 0.757 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCF ZINC001021473065 624742182 /nfs/dbraw/zinc/74/21/82/624742182.db2.gz AQXFXQZKHYWKLQ-YHWZYXNKSA-N 2 2 280.347 0.964 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF ZINC001021473065 624742183 /nfs/dbraw/zinc/74/21/83/624742183.db2.gz AQXFXQZKHYWKLQ-YHWZYXNKSA-N 2 2 280.347 0.964 20 0 CCADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)NCCOc2ccccc2)C1 ZINC000050248621 624804278 /nfs/dbraw/zinc/80/42/78/624804278.db2.gz SBWCWKNWVHEBSW-CYBMUJFWSA-N 2 2 277.368 0.462 20 0 CCADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)NCCOc2ccccc2)C1 ZINC000050248621 624804279 /nfs/dbraw/zinc/80/42/79/624804279.db2.gz SBWCWKNWVHEBSW-CYBMUJFWSA-N 2 2 277.368 0.462 20 0 CCADLP C[C@H]1CC[N@H+](CCNC(=O)NCCn2cc[nH+]c2)C1 ZINC000891558494 624885114 /nfs/dbraw/zinc/88/51/14/624885114.db2.gz LRSXJKWCUXMIFK-LBPRGKRZSA-N 2 2 265.361 0.524 20 0 CCADLP C[C@H]1CC[N@@H+](CCNC(=O)NCCn2cc[nH+]c2)C1 ZINC000891558494 624885116 /nfs/dbraw/zinc/88/51/16/624885116.db2.gz LRSXJKWCUXMIFK-LBPRGKRZSA-N 2 2 265.361 0.524 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H](C[NH2+]C[C@H]2CCOC2)C1 ZINC001027091446 625728626 /nfs/dbraw/zinc/72/86/26/625728626.db2.gz MZCYBISJOHEMMT-QWHCGFSZSA-N 2 2 292.383 0.427 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](C[NH2+]Cc2ccon2)C1 ZINC001027091394 625729658 /nfs/dbraw/zinc/72/96/58/625729658.db2.gz LVDFBZBZJBMEBT-LLVKDONJSA-N 2 2 289.339 0.579 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H](C[NH2+]C[C@H]2CCOC2)C1 ZINC001027245819 625766292 /nfs/dbraw/zinc/76/62/92/625766292.db2.gz GIZSBCNFLFXSGG-UONOGXRCSA-N 2 2 292.383 0.358 20 0 CCADLP [NH3+][C@@H]1C[N@H+](CC2CC[NH2+]CC2)C[C@H]1C(F)(F)F ZINC000903514897 634594123 /nfs/dbraw/zinc/59/41/23/634594123.db2.gz YGQCEMUJSIGRQE-NXEZZACHSA-N 3 2 251.296 0.807 20 0 CCADLP [NH3+][C@@H]1C[N@@H+](CC2CC[NH2+]CC2)C[C@H]1C(F)(F)F ZINC000903514897 634594127 /nfs/dbraw/zinc/59/41/27/634594127.db2.gz YGQCEMUJSIGRQE-NXEZZACHSA-N 3 2 251.296 0.807 20 0 CCADLP Cc1nc(CC2CC[NH+](C[C@H]3C[NH2+]CCO3)CC2)no1 ZINC000903566331 634609793 /nfs/dbraw/zinc/60/97/93/634609793.db2.gz PUYAHPLSQUWCEB-CYBMUJFWSA-N 2 2 280.372 0.621 20 0 CCADLP [NH3+]C[C@@]12CC[C@@H]1CCC[N@@H+]2CCN1CCCC1=O ZINC000903797914 634653711 /nfs/dbraw/zinc/65/37/11/634653711.db2.gz LFPCOQCZGCDGFS-JSGCOSHPSA-N 2 2 251.374 0.812 20 0 CCADLP [NH3+]C[C@@]12CC[C@@H]1CCC[N@H+]2CCN1CCCC1=O ZINC000903797914 634653716 /nfs/dbraw/zinc/65/37/16/634653716.db2.gz LFPCOQCZGCDGFS-JSGCOSHPSA-N 2 2 251.374 0.812 20 0 CCADLP CC(C)COC[C@@H](O)C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903870321 634671356 /nfs/dbraw/zinc/67/13/56/634671356.db2.gz MWIGIDAPSBJVHV-KBPBESRZSA-N 2 2 256.390 0.848 20 0 CCADLP CC(C)COC[C@@H](O)C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903870321 634671360 /nfs/dbraw/zinc/67/13/60/634671360.db2.gz MWIGIDAPSBJVHV-KBPBESRZSA-N 2 2 256.390 0.848 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903919027 634686389 /nfs/dbraw/zinc/68/63/89/634686389.db2.gz KLNQRWLDIVKKPU-DYEKYZERSA-N 3 2 278.404 0.290 20 0 CCADLP C[C@@H]1C[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000903935691 634693805 /nfs/dbraw/zinc/69/38/05/634693805.db2.gz SHWRCFQCRICICE-JHJVBQTASA-N 3 2 278.404 0.229 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000903935691 634693808 /nfs/dbraw/zinc/69/38/08/634693808.db2.gz SHWRCFQCRICICE-JHJVBQTASA-N 3 2 278.404 0.229 20 0 CCADLP Cn1ccnc1CN1CC[NH+](C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904317969 634727590 /nfs/dbraw/zinc/72/75/90/634727590.db2.gz KYPCMKYPPYRLTK-INIZCTEOSA-N 2 2 291.443 0.927 20 0 CCADLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(N2CC[NH2+]CC2)o1 ZINC000904355703 634734683 /nfs/dbraw/zinc/73/46/83/634734683.db2.gz WORSNDGLLKALIP-QWRGUYRKSA-N 3 2 252.362 0.515 20 0 CCADLP COC(=O)CCn1nc(C)c(C[NH2+]CC2([NH3+])CC2)c1C ZINC000904451383 634749952 /nfs/dbraw/zinc/74/99/52/634749952.db2.gz XYMOHJRFKOETTK-UHFFFAOYSA-N 2 2 280.372 0.644 20 0 CCADLP Cc1cccc([C@H](O)C[NH2+]C[C@@H](O)C[NH+](C)C)c1 ZINC000905347455 634844515 /nfs/dbraw/zinc/84/45/15/634844515.db2.gz YTLUKOUNFHEDKM-ZIAGYGMSSA-N 2 2 252.358 0.541 20 0 CCADLP CC[N@H+](C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027633116 630818420 /nfs/dbraw/zinc/81/84/20/630818420.db2.gz SZCYIPMZLQZPIP-LLVKDONJSA-N 2 2 250.346 0.895 20 0 CCADLP CC[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027633116 630818422 /nfs/dbraw/zinc/81/84/22/630818422.db2.gz SZCYIPMZLQZPIP-LLVKDONJSA-N 2 2 250.346 0.895 20 0 CCADLP Cc1cc(F)ncc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000893605025 631020398 /nfs/dbraw/zinc/02/03/98/631020398.db2.gz BTDLJUUYGGXTMO-CYBMUJFWSA-N 2 2 253.321 0.685 20 0 CCADLP Cc1cc(F)ncc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000893605025 631020402 /nfs/dbraw/zinc/02/04/02/631020402.db2.gz BTDLJUUYGGXTMO-CYBMUJFWSA-N 2 2 253.321 0.685 20 0 CCADLP O=C([C@H]1C[NH+]2CCC[C@H]2CO1)N1CCC[N@@H+](CCF)CC1 ZINC000981210606 631250331 /nfs/dbraw/zinc/25/03/31/631250331.db2.gz RXYNQQGRMGNFKJ-UONOGXRCSA-N 2 2 299.390 0.353 20 0 CCADLP O=C([C@H]1C[NH+]2CCC[C@H]2CO1)N1CCC[N@H+](CCF)CC1 ZINC000981210606 631250339 /nfs/dbraw/zinc/25/03/39/631250339.db2.gz RXYNQQGRMGNFKJ-UONOGXRCSA-N 2 2 299.390 0.353 20 0 CCADLP O=C([C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC[NH+](CCF)CC1 ZINC000981210606 631250347 /nfs/dbraw/zinc/25/03/47/631250347.db2.gz RXYNQQGRMGNFKJ-UONOGXRCSA-N 2 2 299.390 0.353 20 0 CCADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CCC[N@@H+](CCO)CC1 ZINC000981934119 631339165 /nfs/dbraw/zinc/33/91/65/631339165.db2.gz WIBBIZMSLVNEOK-LBPRGKRZSA-N 2 2 292.383 0.356 20 0 CCADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CCC[N@H+](CCO)CC1 ZINC000981934119 631339172 /nfs/dbraw/zinc/33/91/72/631339172.db2.gz WIBBIZMSLVNEOK-LBPRGKRZSA-N 2 2 292.383 0.356 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2cccnc2)C1 ZINC001010370121 631353206 /nfs/dbraw/zinc/35/32/06/631353206.db2.gz SZCLNQOEIXIZQL-CABCVRRESA-N 2 2 288.395 0.866 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2cccnc2)C1 ZINC001010370121 631353210 /nfs/dbraw/zinc/35/32/10/631353210.db2.gz SZCLNQOEIXIZQL-CABCVRRESA-N 2 2 288.395 0.866 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001010370121 631353214 /nfs/dbraw/zinc/35/32/14/631353214.db2.gz SZCLNQOEIXIZQL-CABCVRRESA-N 2 2 288.395 0.866 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001010370121 631353216 /nfs/dbraw/zinc/35/32/16/631353216.db2.gz SZCLNQOEIXIZQL-CABCVRRESA-N 2 2 288.395 0.866 20 0 CCADLP OCCC[N@@H+]1CCC[C@@H]1CNc1nccn2c[nH+]cc12 ZINC000894021800 631501550 /nfs/dbraw/zinc/50/15/50/631501550.db2.gz IWFOCWNIBJZSJE-GFCCVEGCSA-N 2 2 275.356 0.988 20 0 CCADLP OCCC[N@H+]1CCC[C@@H]1CNc1nccn2c[nH+]cc12 ZINC000894021800 631501552 /nfs/dbraw/zinc/50/15/52/631501552.db2.gz IWFOCWNIBJZSJE-GFCCVEGCSA-N 2 2 275.356 0.988 20 0 CCADLP C[C@@H]1COC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000924901828 631610588 /nfs/dbraw/zinc/61/05/88/631610588.db2.gz KOMYNUDEKSXJAY-MGPQQGTHSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1COC[C@H]1[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000924901828 631610592 /nfs/dbraw/zinc/61/05/92/631610592.db2.gz KOMYNUDEKSXJAY-MGPQQGTHSA-N 2 2 283.416 0.554 20 0 CCADLP 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C[C@H](C(=O)NC1CC1)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879591580 647080024 /nfs/dbraw/zinc/08/00/24/647080024.db2.gz PMXIUNOOWGTGKD-CYBMUJFWSA-N 2 2 294.443 0.365 20 0 CCADLP C[C@@H]1C[N@@H+]([C@@H]2CCC(=O)NC2=O)CCN1c1cc[nH+]cc1 ZINC000880258807 647176903 /nfs/dbraw/zinc/17/69/03/647176903.db2.gz COONZRZEOCARNL-DGCLKSJQSA-N 2 2 288.351 0.397 20 0 CCADLP C[C@@H]1C[N@H+]([C@@H]2CCC(=O)NC2=O)CCN1c1cc[nH+]cc1 ZINC000880258807 647176908 /nfs/dbraw/zinc/17/69/08/647176908.db2.gz COONZRZEOCARNL-DGCLKSJQSA-N 2 2 288.351 0.397 20 0 CCADLP NC(=O)C[N@H+](CCCn1cc[nH+]c1)C1CCOCC1 ZINC000880394845 647190787 /nfs/dbraw/zinc/19/07/87/647190787.db2.gz VRKQNMNIBAEHOR-UHFFFAOYSA-N 2 2 266.345 0.240 20 0 CCADLP NC(=O)C[N@@H+](CCCn1cc[nH+]c1)C1CCOCC1 ZINC000880394845 647190796 /nfs/dbraw/zinc/19/07/96/647190796.db2.gz VRKQNMNIBAEHOR-UHFFFAOYSA-N 2 2 266.345 0.240 20 0 CCADLP O=C1NCC[C@@H]2CCC[N@H+](CCCn3cc[nH+]c3)[C@@H]12 ZINC000880531740 647224339 /nfs/dbraw/zinc/22/43/39/647224339.db2.gz 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648028118 /nfs/dbraw/zinc/02/81/18/648028118.db2.gz ZQTZDZKRYAOJMS-GDBMZVCRSA-N 2 2 295.427 0.699 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)CCO1 ZINC000886870497 648028121 /nfs/dbraw/zinc/02/81/21/648028121.db2.gz ZQTZDZKRYAOJMS-GDBMZVCRSA-N 2 2 295.427 0.699 20 0 CCADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1[C@@H]1CCC(=O)NC1=O ZINC000887135240 648073435 /nfs/dbraw/zinc/07/34/35/648073435.db2.gz YXLXJQRYMXDMJY-WCQYABFASA-N 2 2 288.351 0.397 20 0 CCADLP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1[C@@H]1CCC(=O)NC1=O ZINC000887135240 648073439 /nfs/dbraw/zinc/07/34/39/648073439.db2.gz YXLXJQRYMXDMJY-WCQYABFASA-N 2 2 288.351 0.397 20 0 CCADLP C[C@H](C[NH2+][C@H](C)c1ncco1)N1CC[NH+](C)CC1 ZINC000924960671 648391671 /nfs/dbraw/zinc/39/16/71/648391671.db2.gz LKELTVYVULBLRH-VXGBXAGGSA-N 2 2 252.362 0.961 20 0 CCADLP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2C[NH2+]CCOC2)C[C@@H](C)O1 ZINC000925568346 648443705 /nfs/dbraw/zinc/44/37/05/648443705.db2.gz JTSAGPRSDXTLEA-KFWWJZLASA-N 3 2 285.432 0.454 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000925629292 648449369 /nfs/dbraw/zinc/44/93/69/648449369.db2.gz IRATYAMDMKJTJB-CYDGBPFRSA-N 2 2 269.389 0.352 20 0 CCADLP Cc1cc(N2CCC([NH2+][C@H]3C[NH2+]CCOC3)CC2)n[nH]1 ZINC000925644069 648450298 /nfs/dbraw/zinc/45/02/98/648450298.db2.gz IKIMYHVKGFSOSH-ZDUSSCGKSA-N 2 2 279.388 0.265 20 0 CCADLP C[C@H]([NH3+])[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccccc1 ZINC000925691776 648454274 /nfs/dbraw/zinc/45/42/74/648454274.db2.gz MLQXLQIADXBXIY-HOCLYGCPSA-N 3 2 276.428 0.960 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CC(=O)N(CC2CC2)C1 ZINC000925772332 648460103 /nfs/dbraw/zinc/46/01/03/648460103.db2.gz RFCFYFBACGVCEN-RAIGVLPGSA-N 2 2 251.374 0.585 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CC(=O)N(CC2CC2)C1 ZINC000925772330 648460375 /nfs/dbraw/zinc/46/03/75/648460375.db2.gz RFCFYFBACGVCEN-KGYLQXTDSA-N 2 2 251.374 0.585 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CC(=O)N(CC2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000925773127 648460385 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O[C@@H]1CCN(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000926766454 648525017 /nfs/dbraw/zinc/52/50/17/648525017.db2.gz FCTYBUKGEOBYND-QLFBSQMISA-N 2 2 267.417 0.660 20 0 CCADLP O[C@@H]1CCN(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000926766454 648525020 /nfs/dbraw/zinc/52/50/20/648525020.db2.gz FCTYBUKGEOBYND-QLFBSQMISA-N 2 2 267.417 0.660 20 0 CCADLP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927105595 648545589 /nfs/dbraw/zinc/54/55/89/648545589.db2.gz LAFAQNRIWIWTMT-VNHYZAJKSA-N 2 2 295.427 0.887 20 0 CCADLP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927105595 648545593 /nfs/dbraw/zinc/54/55/93/648545593.db2.gz LAFAQNRIWIWTMT-VNHYZAJKSA-N 2 2 295.427 0.887 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@@H]1CS(N)(=O)=O ZINC000931228460 648967359 /nfs/dbraw/zinc/96/73/59/648967359.db2.gz CAASOVIMUCMIQJ-GFCCVEGCSA-N 2 2 286.401 0.335 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@@H]1CS(N)(=O)=O ZINC000931228460 648967364 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C[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CCF ZINC000947928508 649355827 /nfs/dbraw/zinc/35/58/27/649355827.db2.gz BNGUEABWVBAWBV-NWDGAFQWSA-N 2 2 282.363 0.901 20 0 CCADLP C[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1CCF ZINC000947928508 649355831 /nfs/dbraw/zinc/35/58/31/649355831.db2.gz BNGUEABWVBAWBV-NWDGAFQWSA-N 2 2 282.363 0.901 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC000949901112 649453506 /nfs/dbraw/zinc/45/35/06/649453506.db2.gz WXNJJACUWYXPTJ-LBPRGKRZSA-N 2 2 295.383 0.480 20 0 CCADLP Nc1nc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)cc[nH+]1 ZINC001164967840 722074534 /nfs/dbraw/zinc/07/45/34/722074534.db2.gz YZKIRJFORXUXDI-TXEJJXNPSA-N 2 2 275.356 0.358 20 0 CCADLP Nc1nc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)cc[nH+]1 ZINC001164967840 722074535 /nfs/dbraw/zinc/07/45/35/722074535.db2.gz YZKIRJFORXUXDI-TXEJJXNPSA-N 2 2 275.356 0.358 20 0 CCADLP C[N@@H+]1CCO[C@@H](COc2ccc3[nH]c(N)[nH+]c3c2)C1 ZINC001230515213 805608645 /nfs/dbraw/zinc/60/86/45/805608645.db2.gz GYBCTRAMWZPVRR-SNVBAGLBSA-N 2 2 262.313 0.855 20 0 CCADLP C[N@H+]1CCO[C@@H](COc2ccc3[nH]c(N)[nH+]c3c2)C1 ZINC001230515213 805608648 /nfs/dbraw/zinc/60/86/48/805608648.db2.gz GYBCTRAMWZPVRR-SNVBAGLBSA-N 2 2 262.313 0.855 20 0 CCADLP COCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001266325389 790508643 /nfs/dbraw/zinc/50/86/43/790508643.db2.gz MUKDVBKAADVVPV-JHJVBQTASA-N 2 2 292.383 0.740 20 0 CCADLP COCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001266325389 790508651 /nfs/dbraw/zinc/50/86/51/790508651.db2.gz MUKDVBKAADVVPV-JHJVBQTASA-N 2 2 292.383 0.740 20 0 CCADLP COCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001266325389 790508661 /nfs/dbraw/zinc/50/86/61/790508661.db2.gz MUKDVBKAADVVPV-JHJVBQTASA-N 2 2 292.383 0.740 20 0 CCADLP COCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001266325389 790508667 /nfs/dbraw/zinc/50/86/67/790508667.db2.gz MUKDVBKAADVVPV-JHJVBQTASA-N 2 2 292.383 0.740 20 0 CCADLP COCCC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209838811 790694060 /nfs/dbraw/zinc/69/40/60/790694060.db2.gz ZMQLDLOCCRIWOJ-GFCCVEGCSA-N 2 2 280.372 0.569 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]([NH2+]CCF)C1CC1 ZINC001266445502 790724383 /nfs/dbraw/zinc/72/43/83/790724383.db2.gz SJJITYDTORCBJF-LLVKDONJSA-N 2 2 254.309 0.337 20 0 CCADLP COCCCCC[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149131180 790825087 /nfs/dbraw/zinc/82/50/87/790825087.db2.gz WTNWCOLEKOBLEC-UHFFFAOYSA-N 2 2 282.388 0.783 20 0 CCADLP CO[C@H](C)C[NH2+]CC1(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001167333607 790909089 /nfs/dbraw/zinc/90/90/89/790909089.db2.gz HKUALQPILBRBRM-GFCCVEGCSA-N 2 2 294.399 0.863 20 0 CCADLP CO[C@@H](C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1)C1CCC1 ZINC001167346567 790933224 /nfs/dbraw/zinc/93/32/24/790933224.db2.gz PBBFVZHGKIMJOJ-AWEZNQCLSA-N 2 2 294.399 0.863 20 0 CCADLP Cc1cncc(C[NH2+]CCCNC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001167355544 790958204 /nfs/dbraw/zinc/95/82/04/790958204.db2.gz OUFOGENIIUZJBO-UHFFFAOYSA-N 2 2 287.367 0.952 20 0 CCADLP Cc1nn(C)cc1C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167355704 790958468 /nfs/dbraw/zinc/95/84/68/790958468.db2.gz WNJNIIHLZFZFAI-UHFFFAOYSA-N 2 2 290.371 0.290 20 0 CCADLP CC(C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001087141864 791112069 /nfs/dbraw/zinc/11/20/69/791112069.db2.gz YQMNWZMPQLRKGW-QLFBSQMISA-N 2 2 297.443 0.942 20 0 CCADLP CC(C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001087141864 791112076 /nfs/dbraw/zinc/11/20/76/791112076.db2.gz YQMNWZMPQLRKGW-QLFBSQMISA-N 2 2 297.443 0.942 20 0 CCADLP CC[C@H](C(=O)N(C)C1C[NH+](CCOC)C1)[NH+](C)C ZINC001277616780 805902592 /nfs/dbraw/zinc/90/25/92/805902592.db2.gz AZKSAEWQIGXEFC-GFCCVEGCSA-N 2 2 257.378 0.116 20 0 CCADLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1cc(F)ccn1 ZINC001232495053 805946780 /nfs/dbraw/zinc/94/67/80/805946780.db2.gz LXIIFUQFCJTPCM-UHFFFAOYSA-N 2 2 266.364 0.900 20 0 CCADLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cc(F)ccn1 ZINC001232495053 805946783 /nfs/dbraw/zinc/94/67/83/805946783.db2.gz LXIIFUQFCJTPCM-UHFFFAOYSA-N 2 2 266.364 0.900 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)c2cccc(Cl)n2)CC1 ZINC000721888063 805973730 /nfs/dbraw/zinc/97/37/30/805973730.db2.gz DBHUHMFTLVDFBR-UHFFFAOYSA-N 2 2 282.775 0.888 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccncn2)C1 ZINC001140348770 791156491 /nfs/dbraw/zinc/15/64/91/791156491.db2.gz GRFYTIAJJDGQNV-CYBMUJFWSA-N 2 2 277.372 0.119 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccncn2)C1 ZINC001140348770 791156497 /nfs/dbraw/zinc/15/64/97/791156497.db2.gz GRFYTIAJJDGQNV-CYBMUJFWSA-N 2 2 277.372 0.119 20 0 CCADLP CCOCC[NH2+]CCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001266748392 791206946 /nfs/dbraw/zinc/20/69/46/791206946.db2.gz DEYBTDKVXXOZCC-CYBMUJFWSA-N 2 2 294.399 0.530 20 0 CCADLP C[NH+](C)C[C@H]1CN(Cc2cccc(N)[nH+]2)CCO1 ZINC001233369673 806048404 /nfs/dbraw/zinc/04/84/04/806048404.db2.gz YECXSEXSOZHIKG-LBPRGKRZSA-N 2 2 250.346 0.426 20 0 CCADLP C[C@@H](NC(=O)N1CCCC[C@@H]1C[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000891517868 791264663 /nfs/dbraw/zinc/26/46/63/791264663.db2.gz MOBYDGAXXIQJEC-HZSPNIEDSA-N 2 2 298.431 0.618 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724024617 791376919 /nfs/dbraw/zinc/37/69/19/791376919.db2.gz FFQRWHSSHSKJFO-HTQZYQBOSA-N 2 2 294.264 0.447 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCc1nnc2ccccn21 ZINC000133437022 791404740 /nfs/dbraw/zinc/40/47/40/791404740.db2.gz XVVVSHMXSNBOFD-QWHCGFSZSA-N 2 2 289.383 0.628 20 0 CCADLP COCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001267023027 791457736 /nfs/dbraw/zinc/45/77/36/791457736.db2.gz QMHJRUKLHKESKA-LBPRGKRZSA-N 2 2 280.372 0.190 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001022692104 791528907 /nfs/dbraw/zinc/52/89/07/791528907.db2.gz FWLKDCVTDIEXJK-WYUUTHIRSA-N 2 2 292.383 0.447 20 0 CCADLP COC(=O)C[N@@H+]1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001277822363 806160408 /nfs/dbraw/zinc/16/04/08/806160408.db2.gz VSYCHUNTUKCFBR-UHFFFAOYSA-N 2 2 269.389 0.119 20 0 CCADLP COC(=O)C[N@H+]1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001277822363 806160413 /nfs/dbraw/zinc/16/04/13/806160413.db2.gz VSYCHUNTUKCFBR-UHFFFAOYSA-N 2 2 269.389 0.119 20 0 CCADLP CC[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)COC ZINC001267253864 793250561 /nfs/dbraw/zinc/25/05/61/793250561.db2.gz TVDPPZFUJWRRRY-NSHDSACASA-N 2 2 268.361 0.425 20 0 CCADLP CC[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)COC ZINC001267253864 793250566 /nfs/dbraw/zinc/25/05/66/793250566.db2.gz TVDPPZFUJWRRRY-NSHDSACASA-N 2 2 268.361 0.425 20 0 CCADLP c1cc2cc(C[N@@H+]3CCN[C@@]4(CC[NH2+]C4)C3)cnc2[nH]1 ZINC001235052078 806352430 /nfs/dbraw/zinc/35/24/30/806352430.db2.gz DKQKWTODHBMDFU-OAHLLOKOSA-N 2 2 271.368 0.700 20 0 CCADLP c1cc2cc(C[N@H+]3CCN[C@@]4(CC[NH2+]C4)C3)cnc2[nH]1 ZINC001235052078 806352440 /nfs/dbraw/zinc/35/24/40/806352440.db2.gz DKQKWTODHBMDFU-OAHLLOKOSA-N 2 2 271.368 0.700 20 0 CCADLP Cn1cnc2cc(C[N@@H+]3CCN[C@]4(CC[NH2+]C4)C3)ccc21 ZINC001235052098 806352487 /nfs/dbraw/zinc/35/24/87/806352487.db2.gz DPJXOCOXJBQBLR-INIZCTEOSA-N 2 2 285.395 0.711 20 0 CCADLP Cn1cnc2cc(C[N@H+]3CCN[C@]4(CC[NH2+]C4)C3)ccc21 ZINC001235052098 806352496 /nfs/dbraw/zinc/35/24/96/806352496.db2.gz DPJXOCOXJBQBLR-INIZCTEOSA-N 2 2 285.395 0.711 20 0 CCADLP CS(=O)(=O)N1CCC(C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001235166934 806380682 /nfs/dbraw/zinc/38/06/82/806380682.db2.gz XIHGLSILXCMEJX-QWHCGFSZSA-N 2 2 287.429 0.081 20 0 CCADLP CS(=O)(=O)N1CCC(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001235166934 806380692 /nfs/dbraw/zinc/38/06/92/806380692.db2.gz XIHGLSILXCMEJX-QWHCGFSZSA-N 2 2 287.429 0.081 20 0 CCADLP F[C@H]1C[NH2+]CC[C@H]1[NH2+]C1CCC2(CC1)C[NH2+]CCO2 ZINC001246078345 807143716 /nfs/dbraw/zinc/14/37/16/807143716.db2.gz AJENUJKAETUOSJ-YIFLHPOLSA-N 3 2 271.380 0.577 20 0 CCADLP CN(C)c1cc[nH+]cc1NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000722232461 806442936 /nfs/dbraw/zinc/44/29/36/806442936.db2.gz URKYJDHICRMQBF-UHFFFAOYSA-N 2 2 298.412 0.889 20 0 CCADLP [NH3+]CC[NH+]1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001235575725 806461072 /nfs/dbraw/zinc/46/10/72/806461072.db2.gz LECWNAYBGSLBQZ-UHFFFAOYSA-N 2 2 276.384 0.712 20 0 CCADLP [NH3+]CC[NH+]1CCC2(C[C@H](C(=O)NC3CCC3)CO2)CC1 ZINC001235597569 806469338 /nfs/dbraw/zinc/46/93/38/806469338.db2.gz QAGKAVXAVQMMKF-LBPRGKRZSA-N 2 2 281.400 0.485 20 0 CCADLP Cc1nc(CN2C[C@@]3(CC[N@H+](CC[NH3+])C3)CC2=O)cs1 ZINC001235596879 806469347 /nfs/dbraw/zinc/46/93/47/806469347.db2.gz MEUDVBHHVRCFFI-AWEZNQCLSA-N 2 2 294.424 0.835 20 0 CCADLP Cc1nc(CN2C[C@@]3(CC[N@@H+](CC[NH3+])C3)CC2=O)cs1 ZINC001235596879 806469350 /nfs/dbraw/zinc/46/93/50/806469350.db2.gz MEUDVBHHVRCFFI-AWEZNQCLSA-N 2 2 294.424 0.835 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)CO1 ZINC001246084602 807146637 /nfs/dbraw/zinc/14/66/37/807146637.db2.gz KVVFGESBEUMFPV-RVMXOQNASA-N 2 2 270.373 0.827 20 0 CCADLP C[C@H]([NH3+])C[NH+]1CCC2(C[C@H]2C(=O)N2CCOCC2)CC1 ZINC001235624308 806475331 /nfs/dbraw/zinc/47/53/31/806475331.db2.gz JTHJPCCKPVYRJS-STQMWFEESA-N 2 2 281.400 0.295 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+]1CC[C@]2(C1)c1ccccc1N(C)C2=O ZINC001235633742 806478876 /nfs/dbraw/zinc/47/88/76/806478876.db2.gz YFCGNTIIWGIRJI-ABAIWWIYSA-N 2 2 259.353 0.954 20 0 CCADLP C[C@@H]([NH3+])C[N@H+]1CC[C@]2(C1)c1ccccc1N(C)C2=O ZINC001235633742 806478880 /nfs/dbraw/zinc/47/88/80/806478880.db2.gz YFCGNTIIWGIRJI-ABAIWWIYSA-N 2 2 259.353 0.954 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1CC[C@@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001235659603 806485135 /nfs/dbraw/zinc/48/51/35/806485135.db2.gz HRIBCFVKTBGUQD-IACUBPJLSA-N 2 2 254.374 0.994 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1CC[C@@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001235659603 806485141 /nfs/dbraw/zinc/48/51/41/806485141.db2.gz HRIBCFVKTBGUQD-IACUBPJLSA-N 2 2 254.374 0.994 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@H]2CN(CCn3cc[nH+]c3)C[C@H]21 ZINC001277960955 806488778 /nfs/dbraw/zinc/48/87/78/806488778.db2.gz OTALJMCCZCSLOP-HZSPNIEDSA-N 2 2 264.373 0.270 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@H]2CN(CCn3cc[nH+]c3)C[C@H]21 ZINC001277960955 806488781 /nfs/dbraw/zinc/48/87/81/806488781.db2.gz OTALJMCCZCSLOP-HZSPNIEDSA-N 2 2 264.373 0.270 20 0 CCADLP OCCCCC[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001235678876 806491303 /nfs/dbraw/zinc/49/13/03/806491303.db2.gz LNYLHBFYJGGQAZ-UHFFFAOYSA-N 2 2 285.432 0.099 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([NH3+])C[N@H+](CC2CC3(C2)CC[NH2+]CC3)C1 ZINC001235769876 806502594 /nfs/dbraw/zinc/50/25/94/806502594.db2.gz ICMQEOVWOPJGCI-KGLIPLIRSA-N 3 2 295.427 0.588 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([NH3+])C[N@@H+](CC2CC3(C2)CC[NH2+]CC3)C1 ZINC001235769876 806502598 /nfs/dbraw/zinc/50/25/98/806502598.db2.gz ICMQEOVWOPJGCI-KGLIPLIRSA-N 3 2 295.427 0.588 20 0 CCADLP CCOC(=O)[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001235819444 806506141 /nfs/dbraw/zinc/50/61/41/806506141.db2.gz FFDNCQLDOOJBPC-NEPJUHHUSA-N 2 2 270.373 0.986 20 0 CCADLP CCOC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001235819444 806506144 /nfs/dbraw/zinc/50/61/44/806506144.db2.gz FFDNCQLDOOJBPC-NEPJUHHUSA-N 2 2 270.373 0.986 20 0 CCADLP Cn1cnnc1C1CC[NH+](C[C@@H]2C[NH2+]C(C)(C)O2)CC1 ZINC001235959083 806520048 /nfs/dbraw/zinc/52/00/48/806520048.db2.gz RTLCLISVSFPCOZ-LBPRGKRZSA-N 2 2 279.388 0.719 20 0 CCADLP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001235993079 806524383 /nfs/dbraw/zinc/52/43/83/806524383.db2.gz OFSPPCSEUUNWPU-OCCSQVGLSA-N 2 2 270.340 0.790 20 0 CCADLP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001235993079 806524386 /nfs/dbraw/zinc/52/43/86/806524386.db2.gz OFSPPCSEUUNWPU-OCCSQVGLSA-N 2 2 270.340 0.790 20 0 CCADLP O=C1CC[C@@H]2C[C@H]([NH2+][C@@H]3CC[NH2+]C[C@H]3F)CCN12 ZINC001246099405 807152320 /nfs/dbraw/zinc/15/23/20/807152320.db2.gz QYHISPHLPDTCCR-DDHJBXDOSA-N 2 2 255.337 0.429 20 0 CCADLP CCOC(=O)C[N@H+](CCC[NH3+])CC1CC2(C1)CC[NH2+]CC2 ZINC001236304930 806565086 /nfs/dbraw/zinc/56/50/86/806565086.db2.gz DQPLELACZGFRHW-UHFFFAOYSA-N 3 2 297.443 0.980 20 0 CCADLP CCOC(=O)C[N@@H+](CCC[NH3+])CC1CC2(C1)CC[NH2+]CC2 ZINC001236304930 806565094 /nfs/dbraw/zinc/56/50/94/806565094.db2.gz DQPLELACZGFRHW-UHFFFAOYSA-N 3 2 297.443 0.980 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246110763 807155038 /nfs/dbraw/zinc/15/50/38/807155038.db2.gz OHHWVAZLYOATOR-WOPDTQHZSA-N 2 2 269.389 0.400 20 0 CCADLP C[NH+](C)CC1(C[N@H+]2C[C@@H]3C(C(N)=O)=NO[C@@H]3C2)CCCC1 ZINC001278075127 806651331 /nfs/dbraw/zinc/65/13/31/806651331.db2.gz YQUFLUBHWZRLKQ-NWDGAFQWSA-N 2 2 294.399 0.280 20 0 CCADLP C[NH+](C)CC1(C[N@@H+]2C[C@@H]3C(C(N)=O)=NO[C@@H]3C2)CCCC1 ZINC001278075127 806651336 /nfs/dbraw/zinc/65/13/36/806651336.db2.gz YQUFLUBHWZRLKQ-NWDGAFQWSA-N 2 2 294.399 0.280 20 0 CCADLP C[C@H]1CCCN1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001120556909 798864100 /nfs/dbraw/zinc/86/41/00/798864100.db2.gz BYMZEDHMILGSFC-NSHDSACASA-N 2 2 254.378 0.603 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001120670594 798910939 /nfs/dbraw/zinc/91/09/39/798910939.db2.gz KFTPDENMAAKEHB-HAQNSBGRSA-N 2 2 265.361 0.652 20 0 CCADLP C[N@@H+]1CCC[C@H](C[NH+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(N)=O)C1 ZINC001278141998 806714166 /nfs/dbraw/zinc/71/41/66/806714166.db2.gz CTSSLARYYUXKGU-QNSTZXKLSA-N 2 2 281.400 0.027 20 0 CCADLP C[N@H+]1CCC[C@H](C[NH+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(N)=O)C1 ZINC001278141998 806714173 /nfs/dbraw/zinc/71/41/73/806714173.db2.gz CTSSLARYYUXKGU-QNSTZXKLSA-N 2 2 281.400 0.027 20 0 CCADLP C[NH+]1CCC[C@H](C[N@@H+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(N)=O)C1 ZINC001278141998 806714176 /nfs/dbraw/zinc/71/41/76/806714176.db2.gz CTSSLARYYUXKGU-QNSTZXKLSA-N 2 2 281.400 0.027 20 0 CCADLP C[NH+]1CCC[C@H](C[N@H+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(N)=O)C1 ZINC001278141998 806714181 /nfs/dbraw/zinc/71/41/81/806714181.db2.gz CTSSLARYYUXKGU-QNSTZXKLSA-N 2 2 281.400 0.027 20 0 CCADLP CC[C@@H](C(=O)N1CC[C@H]([NH3+])C1)[N@@H+]1CCO[C@@H](CC)C1 ZINC001122009500 799120518 /nfs/dbraw/zinc/12/05/18/799120518.db2.gz RBMLLBLAEFDAMV-AVGNSLFASA-N 2 2 269.389 0.435 20 0 CCADLP CC[C@@H](C(=O)N1CC[C@H]([NH3+])C1)[N@H+]1CCO[C@@H](CC)C1 ZINC001122009500 799120520 /nfs/dbraw/zinc/12/05/20/799120520.db2.gz RBMLLBLAEFDAMV-AVGNSLFASA-N 2 2 269.389 0.435 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001122011197 799121599 /nfs/dbraw/zinc/12/15/99/799121599.db2.gz KIYNUQVEXSASTG-BXUZGUMPSA-N 2 2 262.357 0.800 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC001122011197 799121602 /nfs/dbraw/zinc/12/16/02/799121602.db2.gz KIYNUQVEXSASTG-BXUZGUMPSA-N 2 2 262.357 0.800 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001122227420 799174043 /nfs/dbraw/zinc/17/40/43/799174043.db2.gz SWCKOORLYBNEJV-UTUOFQBUSA-N 2 2 262.357 0.417 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC001122238817 799177314 /nfs/dbraw/zinc/17/73/14/799177314.db2.gz IVDOKESCPQYJOV-CHWSQXEVSA-N 3 2 268.405 0.043 20 0 CCADLP CN1CCN(C(=O)c2ccc(C[NH3+])o2)CC[N@H+](C)CC1 ZINC001122378256 799217766 /nfs/dbraw/zinc/21/77/66/799217766.db2.gz VZDOVRAUPHLVOL-UHFFFAOYSA-N 2 2 280.372 0.058 20 0 CCADLP CN1CCC[N@H+](Cc2cccc3c[nH+]cn32)CC1=O ZINC001238114303 806753254 /nfs/dbraw/zinc/75/32/54/806753254.db2.gz RIDQYFMRUITUFM-UHFFFAOYSA-N 2 2 258.325 0.998 20 0 CCADLP CN1CCC[N@@H+](Cc2cccc3c[nH+]cn32)CC1=O ZINC001238114303 806753257 /nfs/dbraw/zinc/75/32/57/806753257.db2.gz RIDQYFMRUITUFM-UHFFFAOYSA-N 2 2 258.325 0.998 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)nc1 ZINC001124879537 799643893 /nfs/dbraw/zinc/64/38/93/799643893.db2.gz VSSSRCOWVHZBDC-LBPRGKRZSA-N 2 2 277.372 0.085 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)nc1 ZINC001124879537 799643898 /nfs/dbraw/zinc/64/38/98/799643898.db2.gz VSSSRCOWVHZBDC-LBPRGKRZSA-N 2 2 277.372 0.085 20 0 CCADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H](O)C3)s2)CC1 ZINC001139319604 799804471 /nfs/dbraw/zinc/80/44/71/799804471.db2.gz JZVXGFRYNHIZQP-GFCCVEGCSA-N 2 2 296.440 0.852 20 0 CCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H](O)C3)s2)CC1 ZINC001139319604 799804476 /nfs/dbraw/zinc/80/44/76/799804476.db2.gz JZVXGFRYNHIZQP-GFCCVEGCSA-N 2 2 296.440 0.852 20 0 CCADLP COCC[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001203051304 799925060 /nfs/dbraw/zinc/92/50/60/799925060.db2.gz CCYSYWXKKCBHEJ-UHFFFAOYSA-N 2 2 266.345 0.179 20 0 CCADLP O=C1COC[C@@H]2C[N@H+](Cc3c[nH]c4cc[nH+]cc34)CCN12 ZINC001140805219 799942838 /nfs/dbraw/zinc/94/28/38/799942838.db2.gz WSSNXPUFHFWNMW-LBPRGKRZSA-N 2 2 286.335 0.606 20 0 CCADLP O=C1COC[C@@H]2C[N@@H+](Cc3c[nH]c4cc[nH+]cc34)CCN12 ZINC001140805219 799942846 /nfs/dbraw/zinc/94/28/46/799942846.db2.gz WSSNXPUFHFWNMW-LBPRGKRZSA-N 2 2 286.335 0.606 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C)CCN1Cc1c[nH]c2cc[nH+]cc12 ZINC001140805467 799943395 /nfs/dbraw/zinc/94/33/95/799943395.db2.gz GHLVRNCHUQENJJ-AWEZNQCLSA-N 2 2 288.351 0.852 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1Cc1c[nH]c2cc[nH+]cc12 ZINC001140805467 799943398 /nfs/dbraw/zinc/94/33/98/799943398.db2.gz GHLVRNCHUQENJJ-AWEZNQCLSA-N 2 2 288.351 0.852 20 0 CCADLP O=C(NCCC[NH2+]CCCF)[C@@H]1CCn2c[nH+]cc2C1 ZINC001161209543 799982191 /nfs/dbraw/zinc/98/21/91/799982191.db2.gz PTTXBZGNGXFEMV-GFCCVEGCSA-N 2 2 282.363 0.901 20 0 CCADLP CN1CC[NH+](CCC(=O)Nc2cccnc2C[NH3+])CC1 ZINC001143237670 800215404 /nfs/dbraw/zinc/21/54/04/800215404.db2.gz PNMCLTGQTVKUQB-UHFFFAOYSA-N 2 2 277.372 0.116 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@@H]1C ZINC001278285490 806813666 /nfs/dbraw/zinc/81/36/66/806813666.db2.gz QSFZQAWNMSBZJI-CHWSQXEVSA-N 2 2 294.399 0.578 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1C[N@H+](CCCF)CCCO1 ZINC001150373662 800331314 /nfs/dbraw/zinc/33/13/14/800331314.db2.gz ZOUQTFMRDBLNBP-CYBMUJFWSA-N 2 2 298.362 0.519 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1C[N@@H+](CCCF)CCCO1 ZINC001150373662 800331320 /nfs/dbraw/zinc/33/13/20/800331320.db2.gz ZOUQTFMRDBLNBP-CYBMUJFWSA-N 2 2 298.362 0.519 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@H]1C[NH+](CCF)CCCO1 ZINC001150619848 800352467 /nfs/dbraw/zinc/35/24/67/800352467.db2.gz FOZANSQXBGPOFH-ZDUSSCGKSA-N 2 2 289.395 0.505 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@H]1C[NH+](CCF)CCCO1 ZINC001150619848 800352475 /nfs/dbraw/zinc/35/24/75/800352475.db2.gz FOZANSQXBGPOFH-ZDUSSCGKSA-N 2 2 289.395 0.505 20 0 CCADLP CCC[NH+](C)CC(=O)NC[C@H]1C[N@H+](CCF)CCCO1 ZINC001150619848 800352477 /nfs/dbraw/zinc/35/24/77/800352477.db2.gz FOZANSQXBGPOFH-ZDUSSCGKSA-N 2 2 289.395 0.505 20 0 CCADLP CCC[NH+](C)CC(=O)NC[C@H]1C[N@@H+](CCF)CCCO1 ZINC001150619848 800352485 /nfs/dbraw/zinc/35/24/85/800352485.db2.gz FOZANSQXBGPOFH-ZDUSSCGKSA-N 2 2 289.395 0.505 20 0 CCADLP CCC[N@@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150825399 800370728 /nfs/dbraw/zinc/37/07/28/800370728.db2.gz RVSARQRXPUINHE-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP CCC[N@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001150825399 800370736 /nfs/dbraw/zinc/37/07/36/800370736.db2.gz RVSARQRXPUINHE-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2nccs2)C1 ZINC001151749128 800453628 /nfs/dbraw/zinc/45/36/28/800453628.db2.gz PLVWECZKYBYAER-LLVKDONJSA-N 2 2 298.412 0.070 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]Cc2nccs2)C1 ZINC001151749128 800453632 /nfs/dbraw/zinc/45/36/32/800453632.db2.gz PLVWECZKYBYAER-LLVKDONJSA-N 2 2 298.412 0.070 20 0 CCADLP O=C(NCC[NH2+]CCC1CC1)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001151814731 800461267 /nfs/dbraw/zinc/46/12/67/800461267.db2.gz KGWKGGXHSUJKOC-HNNXBMFYSA-N 2 2 295.427 0.603 20 0 CCADLP Cc1nonc1C[NH2+]CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001152138094 800494615 /nfs/dbraw/zinc/49/46/15/800494615.db2.gz RDMIEGTUDNEFFS-GHMZBOCLSA-N 2 2 295.387 0.457 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[NH2+]Cc1nncs1 ZINC001152147389 800495238 /nfs/dbraw/zinc/49/52/38/800495238.db2.gz MSRAGWIUKKJKIO-GHMZBOCLSA-N 2 2 297.428 0.617 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)CC[NH+]2CCCCC2)o1 ZINC001152340282 800511081 /nfs/dbraw/zinc/51/10/81/800511081.db2.gz JRUTWKSSXGSGOU-UHFFFAOYSA-N 2 2 295.387 0.460 20 0 CCADLP CC(C)c1noc(C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C)n1 ZINC001152440059 800520628 /nfs/dbraw/zinc/52/06/28/800520628.db2.gz WMOVBXZXLLQCCF-UHFFFAOYSA-N 2 2 297.403 0.739 20 0 CCADLP CC(C)c1noc(C[NH2+]CCNC(=O)C[N@H+](C)C(C)C)n1 ZINC001152440059 800520632 /nfs/dbraw/zinc/52/06/32/800520632.db2.gz WMOVBXZXLLQCCF-UHFFFAOYSA-N 2 2 297.403 0.739 20 0 CCADLP [NH3+]CCS(=O)(=O)N1CC[NH2+]C[C@@H]1c1ccccc1F ZINC001239087622 806846788 /nfs/dbraw/zinc/84/67/88/806846788.db2.gz MALWACZZFDKIRU-GFCCVEGCSA-N 2 2 287.360 0.061 20 0 CCADLP CCOC1CC(C[NH2+]CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001153496151 800635401 /nfs/dbraw/zinc/63/54/01/800635401.db2.gz SXRYKDHGUHGTRC-UHFFFAOYSA-N 2 2 280.372 0.404 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CCC1CCOCC1 ZINC001153495621 800635451 /nfs/dbraw/zinc/63/54/51/800635451.db2.gz LJRQDDJTLTUQHN-UHFFFAOYSA-N 2 2 280.372 0.406 20 0 CCADLP Cc1csc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2)n1 ZINC001153488011 800635714 /nfs/dbraw/zinc/63/57/14/800635714.db2.gz ZXINNLHTGPVJJH-UHFFFAOYSA-N 2 2 279.369 0.554 20 0 CCADLP Cc1ncc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2)o1 ZINC001153496329 800635916 /nfs/dbraw/zinc/63/59/16/800635916.db2.gz ZJKSZAGMAGSGSY-UHFFFAOYSA-N 2 2 263.301 0.086 20 0 CCADLP O=C1C[C@H](CNc2ccc(N3CC[NH2+]CC3)c[nH+]2)CCN1 ZINC001154933622 800872895 /nfs/dbraw/zinc/87/28/95/800872895.db2.gz KBLRCKMZLKOJIZ-GFCCVEGCSA-N 2 2 289.383 0.429 20 0 CCADLP O=S1(=O)CC[C@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC001155055550 800900624 /nfs/dbraw/zinc/90/06/24/800900624.db2.gz ZBLMRCDGLMAZKH-NSHDSACASA-N 2 2 296.396 0.090 20 0 CCADLP CC[N@H+](CCCOC)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156011983 801092427 /nfs/dbraw/zinc/09/24/27/801092427.db2.gz WUNOGAFBBSRFCU-GFCCVEGCSA-N 2 2 282.388 0.815 20 0 CCADLP CC[N@@H+](CCCOC)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156011983 801092434 /nfs/dbraw/zinc/09/24/34/801092434.db2.gz WUNOGAFBBSRFCU-GFCCVEGCSA-N 2 2 282.388 0.815 20 0 CCADLP Cc1[nH+]ccn1CCNc1cc(-n2cncn2)nc(C)[nH+]1 ZINC001156008938 801092621 /nfs/dbraw/zinc/09/26/21/801092621.db2.gz GOGWMKNPTVKTGU-UHFFFAOYSA-N 2 2 284.327 0.983 20 0 CCADLP CC[N@H+](C[C@H](C)OC)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156011577 801092919 /nfs/dbraw/zinc/09/29/19/801092919.db2.gz MGGFNPDVDMFNPJ-NEPJUHHUSA-N 2 2 282.388 0.814 20 0 CCADLP CC[N@@H+](C[C@H](C)OC)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156011577 801092926 /nfs/dbraw/zinc/09/29/26/801092926.db2.gz MGGFNPDVDMFNPJ-NEPJUHHUSA-N 2 2 282.388 0.814 20 0 CCADLP C[NH+](C)C1(CNc2ncc3c(n2)C[NH2+]C3)CC[NH+](C)CC1 ZINC001156182079 801123212 /nfs/dbraw/zinc/12/32/12/801123212.db2.gz MIJMVDLVUKUGGF-UHFFFAOYSA-N 3 2 290.415 0.518 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Nc2[nH+]ccc3c2ccn3C)C[NH2+]1 ZINC001156243511 801138888 /nfs/dbraw/zinc/13/88/88/801138888.db2.gz XVCYTJLUACQNOA-ONGXEEELSA-N 2 2 274.324 0.889 20 0 CCADLP CCOC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC001157082865 801296617 /nfs/dbraw/zinc/29/66/17/801296617.db2.gz PURKPSJSYZAEAA-UTUOFQBUSA-N 2 2 294.355 0.128 20 0 CCADLP CCOC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC001157082865 801296627 /nfs/dbraw/zinc/29/66/27/801296627.db2.gz PURKPSJSYZAEAA-UTUOFQBUSA-N 2 2 294.355 0.128 20 0 CCADLP CC[N@H+](C[C@H]1CCOC1)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157294113 801346274 /nfs/dbraw/zinc/34/62/74/801346274.db2.gz SCJMQABFJYUGDL-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP CC[N@@H+](C[C@H]1CCOC1)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001157294113 801346281 /nfs/dbraw/zinc/34/62/81/801346281.db2.gz SCJMQABFJYUGDL-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP CC1([NH3+])CN(C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC001157629837 801440115 /nfs/dbraw/zinc/44/01/15/801440115.db2.gz VCRHSFDLVIABMT-UHFFFAOYSA-N 2 2 265.382 0.666 20 0 CCADLP CC1([NH3+])CN(C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC001157629837 801440121 /nfs/dbraw/zinc/44/01/21/801440121.db2.gz VCRHSFDLVIABMT-UHFFFAOYSA-N 2 2 265.382 0.666 20 0 CCADLP [NH3+]C[C@]1(F)CCCN(C(=O)[C@@H]2C[NH2+]CC(F)(F)C2)CC1 ZINC001157741535 801468759 /nfs/dbraw/zinc/46/87/59/801468759.db2.gz ZBUUUEKDKSIUOH-JQWIXIFHSA-N 2 2 293.333 0.911 20 0 CCADLP CSc1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)nn1 ZINC001157916346 801520816 /nfs/dbraw/zinc/52/08/16/801520816.db2.gz UWQXIBPSJRRBTA-UHFFFAOYSA-N 2 2 266.374 0.793 20 0 CCADLP CCc1cc(NC(=[NH2+])N2CC[NH+](C)CC2)nc(C)n1 ZINC001157915821 801521056 /nfs/dbraw/zinc/52/10/56/801521056.db2.gz WGORKONGKAGCKF-UHFFFAOYSA-N 2 2 262.361 0.941 20 0 CCADLP C[C@]1(CF)CC(F)(F)CN1C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157952891 801538366 /nfs/dbraw/zinc/53/83/66/801538366.db2.gz XUAHEQHFBOQEII-UFGOTCBOSA-N 2 2 291.317 0.534 20 0 CCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])c1ccccc1 ZINC001157998942 801549930 /nfs/dbraw/zinc/54/99/30/801549930.db2.gz KWLUXUMZIIFDOF-QWHCGFSZSA-N 2 2 291.351 0.050 20 0 CCADLP Cc1nc2[nH]ccc2c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158203764 801591175 /nfs/dbraw/zinc/59/11/75/801591175.db2.gz HKHBUYZPQPUTOB-SECBINFHSA-N 2 2 272.312 0.314 20 0 CCADLP COc1nnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c2ccccc21 ZINC001158206308 801594655 /nfs/dbraw/zinc/59/46/55/801594655.db2.gz ISRAKKJCAGQOQE-SNVBAGLBSA-N 2 2 299.334 0.686 20 0 CCADLP CCCc1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nn1 ZINC001158209013 801595671 /nfs/dbraw/zinc/59/56/71/801595671.db2.gz DIDACHRUUUIEDE-SNVBAGLBSA-N 2 2 261.329 0.477 20 0 CCADLP Cc1ccnnc1N1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158259653 801608522 /nfs/dbraw/zinc/60/85/22/801608522.db2.gz UPVAHCQUNYICER-GFCCVEGCSA-N 2 2 261.373 0.787 20 0 CCADLP Cc1ccnnc1N1CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158259653 801608526 /nfs/dbraw/zinc/60/85/26/801608526.db2.gz UPVAHCQUNYICER-GFCCVEGCSA-N 2 2 261.373 0.787 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@H]3[NH2+]C[C@@H]32)cc1 ZINC001158429701 801646679 /nfs/dbraw/zinc/64/66/79/801646679.db2.gz AEJPJZOFBPNGIX-MJBXVCDLSA-N 3 2 274.368 0.222 20 0 CCADLP [NH3+]Cc1ccn(-c2cc[nH+]c(N3CCOCC3)n2)c1 ZINC001158767502 801703390 /nfs/dbraw/zinc/70/33/90/801703390.db2.gz ZWEKDLNILSCZAK-UHFFFAOYSA-N 2 2 259.313 0.563 20 0 CCADLP C[C@@H]([NH3+])C(=O)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001158821386 801709801 /nfs/dbraw/zinc/70/98/01/801709801.db2.gz JTTORQGRMZSPFG-SECBINFHSA-N 2 2 275.312 0.151 20 0 CCADLP O=C(N1CC(Oc2ccccc2)C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160500959 801952320 /nfs/dbraw/zinc/95/23/20/801952320.db2.gz YLFVIGZLCMNDHL-BLLLJJGKSA-N 2 2 287.363 0.228 20 0 CCADLP CC[NH+]1CCC(N(C)C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001160537408 801965400 /nfs/dbraw/zinc/96/54/00/801965400.db2.gz KQHKCOUPXNUZOP-CYBMUJFWSA-N 3 2 279.388 0.222 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC[C@H]1Cc1ccccn1 ZINC001160546376 801967197 /nfs/dbraw/zinc/96/71/97/801967197.db2.gz ZJZIIGSYYRLINM-IHRRRGAJSA-N 2 2 274.368 0.162 20 0 CCADLP COC(C)(C)[C@@H]1CCCN1C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160581226 801975662 /nfs/dbraw/zinc/97/56/62/801975662.db2.gz FIIHJVJMDGDVHS-XUJVJEKNSA-N 2 2 281.400 0.354 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@@H](CCO)C2)cc1 ZINC001160610779 801982303 /nfs/dbraw/zinc/98/23/03/801982303.db2.gz LVXSWCKZKIZOOV-WFASDCNBSA-N 2 2 291.395 0.880 20 0 CCADLP CN(CC1COC1)C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001160647851 801989145 /nfs/dbraw/zinc/98/91/45/801989145.db2.gz WBHANVIULQOTLO-ZDUSSCGKSA-N 2 2 263.341 0.364 20 0 CCADLP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001160688676 802001836 /nfs/dbraw/zinc/00/18/36/802001836.db2.gz FEHJNGDGPFTMCJ-WDEREUQCSA-N 3 2 265.361 0.182 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NCCC[NH2+]CCCO ZINC001160844447 802028432 /nfs/dbraw/zinc/02/84/32/802028432.db2.gz FAIYFLJEHOVMRH-UHFFFAOYSA-N 2 2 281.356 0.111 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCO[C@@H](Cc3ccccc3)C2)C1 ZINC001160874800 802038368 /nfs/dbraw/zinc/03/83/68/802038368.db2.gz BOSAACTUXFTYKM-ILXRZTDVSA-N 2 2 289.379 0.146 20 0 CCADLP CC1(C)CN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC(C)(C)O1 ZINC001160967476 802054642 /nfs/dbraw/zinc/05/46/42/802054642.db2.gz MJSVZPUERIYJHT-ZJUUUORDSA-N 2 2 255.362 0.092 20 0 CCADLP CN(C(=O)[C@@H]1C[NH2+]CC(F)(F)C1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161058319 802079129 /nfs/dbraw/zinc/07/91/29/802079129.db2.gz RKMLREFIJWPMHV-GARJFASQSA-N 2 2 275.343 0.960 20 0 CCADLP C[C@H]1CN(C(=O)[C@]2(C)CC(F)(F)C[NH2+]2)C[C@H](C)[NH2+]1 ZINC001161229084 802111555 /nfs/dbraw/zinc/11/15/55/802111555.db2.gz BXRQCANRUAVEPG-QXEWZRGKSA-N 2 2 261.316 0.583 20 0 CCADLP COCCC[NH2+]CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001161309235 802123336 /nfs/dbraw/zinc/12/33/36/802123336.db2.gz KGDPRZFNDDVGDS-CYBMUJFWSA-N 2 2 294.399 0.578 20 0 CCADLP COC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001161315964 802124570 /nfs/dbraw/zinc/12/45/70/802124570.db2.gz SSDXGJCTGRJQBQ-QWHCGFSZSA-N 2 2 294.399 0.576 20 0 CCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCCC[NH2+]CCCO)C2 ZINC001161323160 802124618 /nfs/dbraw/zinc/12/46/18/802124618.db2.gz DNABUZXEBOSSKE-GFCCVEGCSA-N 2 2 294.399 0.301 20 0 CCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCCC[NH2+]CCCO)CC2 ZINC001161323160 802124629 /nfs/dbraw/zinc/12/46/29/802124629.db2.gz DNABUZXEBOSSKE-GFCCVEGCSA-N 2 2 294.399 0.301 20 0 CCADLP O=C(NCCC[NH2+]CC1CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001161316065 802125039 /nfs/dbraw/zinc/12/50/39/802125039.db2.gz VSDOIRKPVNFTKT-CYBMUJFWSA-N 2 2 276.384 0.951 20 0 CCADLP CCC[NH2+]CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001161316952 802125870 /nfs/dbraw/zinc/12/58/70/802125870.db2.gz ZUWHJUOHVQJBML-LBPRGKRZSA-N 2 2 264.373 0.951 20 0 CCADLP CCN(C(=O)[C@H](CO)n1cc[nH+]c1)[C@@H]1CCC[NH2+]C1 ZINC001161333064 802129592 /nfs/dbraw/zinc/12/95/92/802129592.db2.gz QCZUCFGVBRLQNU-NEPJUHHUSA-N 2 2 266.345 0.017 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N(C1CCC1)C1CCOCC1 ZINC001161460219 802157022 /nfs/dbraw/zinc/15/70/22/802157022.db2.gz IITCWQWPLXYDSV-CQSZACIVSA-N 2 2 292.383 0.840 20 0 CCADLP O=C(N(C1CCC1)C1CCOCC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001161460723 802157882 /nfs/dbraw/zinc/15/78/82/802157882.db2.gz OFQKPVHZGMCPFA-BLLLJJGKSA-N 2 2 293.411 0.498 20 0 CCADLP C[NH+]1CC(C[NH2+]C[C@@H](O)COCC(F)(F)C(F)F)C1 ZINC001251638014 807690687 /nfs/dbraw/zinc/69/06/87/807690687.db2.gz LVYXPTSEGHDEBT-SECBINFHSA-N 2 2 288.285 0.416 20 0 CCADLP C[NH+]1CCN(CCCNc2ccc3c([nH+]2)NCCO3)CC1 ZINC001161709862 802205007 /nfs/dbraw/zinc/20/50/07/802205007.db2.gz JVLISNPEGRIEGY-UHFFFAOYSA-N 2 2 291.399 0.935 20 0 CCADLP CN1CC[NH+](CCCNc2ccc3c([nH+]2)NCCO3)CC1 ZINC001161709862 802205011 /nfs/dbraw/zinc/20/50/11/802205011.db2.gz JVLISNPEGRIEGY-UHFFFAOYSA-N 2 2 291.399 0.935 20 0 CCADLP CN(C)c1nccnc1NCC[NH+]1CCC([NH3+])CC1 ZINC001161867978 802234511 /nfs/dbraw/zinc/23/45/11/802234511.db2.gz ZAQLMVHWYMCPDO-UHFFFAOYSA-N 2 2 264.377 0.378 20 0 CCADLP COCC[N@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001161989447 802263505 /nfs/dbraw/zinc/26/35/05/802263505.db2.gz FWUZYEZAUCDRBG-UHFFFAOYSA-N 2 2 292.383 0.668 20 0 CCADLP COCC[N@@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001161989447 802263512 /nfs/dbraw/zinc/26/35/12/802263512.db2.gz FWUZYEZAUCDRBG-UHFFFAOYSA-N 2 2 292.383 0.668 20 0 CCADLP COc1cc[nH+]cc1N[C@@H](C)CN1CC[NH2+]CC1 ZINC001162092573 802274817 /nfs/dbraw/zinc/27/48/17/802274817.db2.gz HJXIXSRMDXTMAJ-NSHDSACASA-N 2 2 250.346 0.796 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNc2cccnc2OC2C[NH2+]C2)C1 ZINC001162690197 802397121 /nfs/dbraw/zinc/39/71/21/802397121.db2.gz UQTYGOIVBYUXRY-LBPRGKRZSA-N 2 2 278.356 0.175 20 0 CCADLP C[N@H+]1CCO[C@@H](CNc2cccnc2OC2C[NH2+]C2)C1 ZINC001162690197 802397131 /nfs/dbraw/zinc/39/71/31/802397131.db2.gz UQTYGOIVBYUXRY-LBPRGKRZSA-N 2 2 278.356 0.175 20 0 CCADLP CN(C)c1nc(NCc2nnc3n2CCC[NH2+]C3)cc[nH+]1 ZINC001163011692 802456501 /nfs/dbraw/zinc/45/65/01/802456501.db2.gz MUACGDBFTWISMK-UHFFFAOYSA-N 2 2 288.359 0.240 20 0 CCADLP C[NH+]1CCN(c2cccc(NC[C@@H]3CNC(=O)O3)[nH+]2)CC1 ZINC001163018020 802460104 /nfs/dbraw/zinc/46/01/04/802460104.db2.gz BTUVJNJUHKEPIW-LLVKDONJSA-N 2 2 291.355 0.354 20 0 CCADLP Nc1cn2ccc(N[C@H]3COCCC34C[NH2+]C4)cc2[nH+]1 ZINC001163072619 802474309 /nfs/dbraw/zinc/47/43/09/802474309.db2.gz KHFKXNLGEGWJNB-NSHDSACASA-N 2 2 273.340 0.707 20 0 CCADLP Nc1cn2ccc(NC[C@@H]3OC[C@H]4C[NH2+]CC[C@H]43)cc2[nH+]1 ZINC001163170747 802500661 /nfs/dbraw/zinc/50/06/61/802500661.db2.gz GYZMEFGSVHVHFJ-RTXFEEFZSA-N 2 2 287.367 0.953 20 0 CCADLP c1cc2c([nH+]c1NC[C@@]13C[NH2+][C@@H](CO1)C3)CCOC2 ZINC001163193038 802503645 /nfs/dbraw/zinc/50/36/45/802503645.db2.gz KKPXJPFILZRHIM-BXUZGUMPSA-N 2 2 261.325 0.697 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCCC[NH2+]CCF ZINC001163274761 802526188 /nfs/dbraw/zinc/52/61/88/802526188.db2.gz FVFKDNITWVTENU-CYBMUJFWSA-N 2 2 289.395 0.553 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCCC[NH2+]CCF ZINC001163274761 802526191 /nfs/dbraw/zinc/52/61/91/802526191.db2.gz FVFKDNITWVTENU-CYBMUJFWSA-N 2 2 289.395 0.553 20 0 CCADLP Cc1cc(N(C(N)=[NH2+])c2ccc3c(n2)CC[NH2+]C3)[nH]n1 ZINC001163508099 802564412 /nfs/dbraw/zinc/56/44/12/802564412.db2.gz KDYMJIGKOPXONZ-UHFFFAOYSA-N 2 2 271.328 0.790 20 0 CCADLP Cn1ccc(C[NH2+]CCCNC(=O)CCn2cc[nH+]c2)n1 ZINC001163589032 802572533 /nfs/dbraw/zinc/57/25/33/802572533.db2.gz URQVEWLHISYYDE-UHFFFAOYSA-N 2 2 290.371 0.303 20 0 CCADLP COC(=O)Cc1c[nH]c2[nH+]ccc(N3CC[C@H]([NH3+])C3)c12 ZINC001164288411 802707898 /nfs/dbraw/zinc/70/78/98/802707898.db2.gz OVNFSPVMCBWWNO-JTQLQIEISA-N 2 2 274.324 0.816 20 0 CCADLP FC1(F)C[NH2+]CCN(c2ncnc3c2CC[NH2+]C3)C1 ZINC001164488909 802747989 /nfs/dbraw/zinc/74/79/89/802747989.db2.gz QLCNZBXYNKVFSV-UHFFFAOYSA-N 2 2 269.299 0.167 20 0 CCADLP c1nc(N2CCC[C@@H]3[NH2+]C[C@H]32)cc(N2CCSCC2)[nH+]1 ZINC001165397525 802835995 /nfs/dbraw/zinc/83/59/95/802835995.db2.gz WGHOBCIGIWHSAN-NWDGAFQWSA-N 2 2 291.424 0.970 20 0 CCADLP Nc1cc(N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)[nH+]cn1 ZINC001165433608 802838620 /nfs/dbraw/zinc/83/86/20/802838620.db2.gz OQMCDTNLRHHLJM-BDAKNGLRSA-N 2 2 251.309 0.572 20 0 CCADLP C[C@@H](O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001104836541 811738177 /nfs/dbraw/zinc/73/81/77/811738177.db2.gz RKLCWICJWFTMIX-JHJVBQTASA-N 2 2 294.399 0.407 20 0 CCADLP COCC[NH2+]CC1(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001166474040 802907820 /nfs/dbraw/zinc/90/78/20/802907820.db2.gz HTHZPGJKJINMMH-UHFFFAOYSA-N 2 2 294.399 0.796 20 0 CCADLP COC(=O)C1([NH3+])CCN(c2[nH+]cc(C)cc2N)CC1 ZINC001166797382 802963232 /nfs/dbraw/zinc/96/32/32/802963232.db2.gz QZYUTJWXQFMIBW-UHFFFAOYSA-N 2 2 264.329 0.443 20 0 CCADLP [NH3+][C@@H]1CN(c2cccc(N3CCC([NH3+])CC3)[nH+]2)C[C@@H]1F ZINC001166930355 802981652 /nfs/dbraw/zinc/98/16/52/802981652.db2.gz USRMNIVGLAKOCE-NWDGAFQWSA-N 3 2 279.363 0.495 20 0 CCADLP COCCOCN1CC2(C1)C[NH+](C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001276496371 803289446 /nfs/dbraw/zinc/28/94/46/803289446.db2.gz AJAZEYBJDVUHIN-OAHLLOKOSA-N 2 2 297.443 0.566 20 0 CCADLP COCCOCN1CC2(C1)C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001276496371 803289451 /nfs/dbraw/zinc/28/94/51/803289451.db2.gz AJAZEYBJDVUHIN-OAHLLOKOSA-N 2 2 297.443 0.566 20 0 CCADLP C[N@@H+]1CCC[C@H](C[NH+]2CC3(CN(Cc4cn[nH]c4)C3)C2)C1 ZINC001276496583 803289543 /nfs/dbraw/zinc/28/95/43/803289543.db2.gz GPGUJNLPUPUUTP-AWEZNQCLSA-N 2 2 289.427 0.869 20 0 CCADLP C[N@H+]1CCC[C@H](C[NH+]2CC3(CN(Cc4cn[nH]c4)C3)C2)C1 ZINC001276496583 803289548 /nfs/dbraw/zinc/28/95/48/803289548.db2.gz GPGUJNLPUPUUTP-AWEZNQCLSA-N 2 2 289.427 0.869 20 0 CCADLP O=C(CO)N[C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001271274636 814360898 /nfs/dbraw/zinc/36/08/98/814360898.db2.gz GHCWXVMKVBKJLD-CABCVRRESA-N 2 2 292.383 0.427 20 0 CCADLP C[NH+](C)CC1(C[N@@H+]2CCCNC(=O)C2)CCCC1 ZINC001208185293 803497082 /nfs/dbraw/zinc/49/70/82/803497082.db2.gz ZSYHSFRBIVPGPI-UHFFFAOYSA-N 2 2 253.390 0.930 20 0 CCADLP C[NH+](C)CC1(C[N@H+]2CCCNC(=O)C2)CCCC1 ZINC001208185293 803497086 /nfs/dbraw/zinc/49/70/86/803497086.db2.gz ZSYHSFRBIVPGPI-UHFFFAOYSA-N 2 2 253.390 0.930 20 0 CCADLP C[C@@H]1C[N@H+](Cc2nccn2C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208490827 803517675 /nfs/dbraw/zinc/51/76/75/803517675.db2.gz ITTAIANMVJGTIW-CHWSQXEVSA-N 2 2 293.415 0.308 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2nccn2C)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208490827 803517677 /nfs/dbraw/zinc/51/76/77/803517677.db2.gz ITTAIANMVJGTIW-CHWSQXEVSA-N 2 2 293.415 0.308 20 0 CCADLP COCC[NH2+][C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001208681053 803536758 /nfs/dbraw/zinc/53/67/58/803536758.db2.gz ZKWRSCAMRBDCPI-CYBMUJFWSA-N 2 2 294.399 0.580 20 0 CCADLP C[NH+]1CCN(C2C[NH+](CCCc3cccnc3)C2)CC1 ZINC001209183846 803578524 /nfs/dbraw/zinc/57/85/24/803578524.db2.gz GNMLTVMEBQKYHX-UHFFFAOYSA-N 2 2 274.412 0.946 20 0 CCADLP CC[N@H+](CCN1CCOCC1)C1CC[NH+](C)CC1 ZINC001209292519 803588846 /nfs/dbraw/zinc/58/88/46/803588846.db2.gz QIKWCARFUIAJSZ-UHFFFAOYSA-N 2 2 255.406 0.735 20 0 CCADLP CC[N@@H+](CCN1CCOCC1)C1CC[NH+](C)CC1 ZINC001209292519 803588848 /nfs/dbraw/zinc/58/88/48/803588848.db2.gz QIKWCARFUIAJSZ-UHFFFAOYSA-N 2 2 255.406 0.735 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]([NH2+]CCCF)C1 ZINC001210669499 803656822 /nfs/dbraw/zinc/65/68/22/803656822.db2.gz XZVRSPULYBWSKB-GFCCVEGCSA-N 2 2 282.363 0.903 20 0 CCADLP CO[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213754375 803702785 /nfs/dbraw/zinc/70/27/85/803702785.db2.gz ZULWUNISOUVQPH-CHWSQXEVSA-N 2 2 289.395 0.503 20 0 CCADLP CO[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)CCCC[NH+](C)C ZINC001213754375 803702787 /nfs/dbraw/zinc/70/27/87/803702787.db2.gz ZULWUNISOUVQPH-CHWSQXEVSA-N 2 2 289.395 0.503 20 0 CCADLP C[N@H+](C[C@@H](O)COc1ccccc1C#N)[C@H](C[NH3+])C1CC1 ZINC000402212018 803817026 /nfs/dbraw/zinc/81/70/26/803817026.db2.gz MFEIPKNZMADOGB-HUUCEWRRSA-N 2 2 289.379 0.967 20 0 CCADLP C[N@@H+](C[C@@H](O)COc1ccccc1C#N)[C@H](C[NH3+])C1CC1 ZINC000402212018 803817034 /nfs/dbraw/zinc/81/70/34/803817034.db2.gz MFEIPKNZMADOGB-HUUCEWRRSA-N 2 2 289.379 0.967 20 0 CCADLP Cc1ccccc1Cc1nnc([C@H]2C[NH2+]C[C@@H]2[NH3+])o1 ZINC001217744155 803909604 /nfs/dbraw/zinc/90/96/04/803909604.db2.gz KRCYMORLOZJLOY-RYUDHWBXSA-N 2 2 258.325 0.983 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccncc1C(F)(F)F ZINC001218498500 803963824 /nfs/dbraw/zinc/96/38/24/803963824.db2.gz WAFMXPPQSYEFAR-VIFPVBQESA-N 2 2 299.256 0.754 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ncc(C(F)(F)F)cn1 ZINC001218529625 803990419 /nfs/dbraw/zinc/99/04/19/803990419.db2.gz JHQWMYNTNPNLGD-LURJTMIESA-N 2 2 263.223 0.110 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ncnc2[nH]ccc21 ZINC001218558956 804005495 /nfs/dbraw/zinc/00/54/95/804005495.db2.gz ILFPBMOWWABSHY-VIFPVBQESA-N 2 2 271.284 0.190 20 0 CCADLP COC(=O)c1cnc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c(Cl)c1 ZINC001218597100 804028517 /nfs/dbraw/zinc/02/85/17/804028517.db2.gz VCWDHEMTWWAXPG-APPZFPTMSA-N 2 2 298.730 0.149 20 0 CCADLP CCOc1ncc(NC(=O)C[NH2+]C2CC[NH2+]CC2)cc1F ZINC001218600438 804030328 /nfs/dbraw/zinc/03/03/28/804030328.db2.gz LZDAKKBBSPDURS-UHFFFAOYSA-N 2 2 296.346 0.900 20 0 CCADLP COc1ccc2ncc(NC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])cc2c1 ZINC001218629395 804045926 /nfs/dbraw/zinc/04/59/26/804045926.db2.gz WBOJRYGAQHLYIG-STQMWFEESA-N 2 2 286.335 0.729 20 0 CCADLP COc1ccc(C)nc1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218661317 804070478 /nfs/dbraw/zinc/07/04/78/804070478.db2.gz IXDORIFOKZHFQO-SNVBAGLBSA-N 2 2 275.312 0.630 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccnc(OC(F)(F)F)c1 ZINC001218754938 804111232 /nfs/dbraw/zinc/11/12/32/804111232.db2.gz RMVRBBYGTBUGGF-YUMQZZPRSA-N 2 2 290.245 0.465 20 0 CCADLP [NH3+]CCSC[C@H]([NH3+])C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001218788310 804119486 /nfs/dbraw/zinc/11/94/86/804119486.db2.gz RPIFVYTXWNDLEG-JTQLQIEISA-N 3 2 279.369 0.292 20 0 CCADLP COc1cc(NC(=O)C2([NH3+])CC[NH2+]CC2)cc(OC)c1 ZINC001218809949 804130455 /nfs/dbraw/zinc/13/04/55/804130455.db2.gz SOFBCOYYPGJUEU-UHFFFAOYSA-N 2 2 279.340 0.723 20 0 CCADLP CN(C)c1ccccc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218834929 804137030 /nfs/dbraw/zinc/13/70/30/804137030.db2.gz NPZSSZMMDXYKEV-NSHDSACASA-N 2 2 273.340 0.984 20 0 CCADLP Cc1ccc(C(N)=O)cc1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218913186 804154181 /nfs/dbraw/zinc/15/41/81/804154181.db2.gz JABWYOKEKWRAEQ-UHFFFAOYSA-N 2 2 276.340 0.113 20 0 CCADLP Nc1ccc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)c(CCO)c1 ZINC001218918510 804157430 /nfs/dbraw/zinc/15/74/30/804157430.db2.gz HTYXWXDNVCJKCT-LBPRGKRZSA-N 2 2 289.339 0.035 20 0 CCADLP Cc1ccc(CCCO)c(NC(=O)[C@@H]([NH3+])CC[NH3+])c1 ZINC001219103738 804201136 /nfs/dbraw/zinc/20/11/36/804201136.db2.gz POWNHJFYUONMEV-LBPRGKRZSA-N 2 2 265.357 0.535 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc2[nH]c(=O)cnc2c1 ZINC001219438191 804311522 /nfs/dbraw/zinc/31/15/22/804311522.db2.gz JXGLVPNDHPSMKR-JTQLQIEISA-N 2 2 298.306 0.155 20 0 CCADLP O=C(Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2)C1(F)C[NH2+]C1 ZINC001219538186 804341314 /nfs/dbraw/zinc/34/13/14/804341314.db2.gz WERHOSOONUATST-GZMMTYOYSA-N 2 2 277.299 0.384 20 0 CCADLP CC(C)(C)OC[C@H]([NH3+])CC(=O)NCCn1cc[nH+]c1 ZINC001219563692 804350166 /nfs/dbraw/zinc/35/01/66/804350166.db2.gz ICOPBHLAXSKJTL-LLVKDONJSA-N 2 2 268.361 0.532 20 0 CCADLP O=C(NCc1ccc2c(c1)CCC2)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219571837 804356982 /nfs/dbraw/zinc/35/69/82/804356982.db2.gz RIBIOCZDEIPCBF-NVXWUHKLSA-N 2 2 285.391 0.743 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)[C@@H]2CC[NH2+]C[C@@H]2F)c1 ZINC001219633731 804382431 /nfs/dbraw/zinc/38/24/31/804382431.db2.gz CXHIZTXABQUUTK-MNOVXSKESA-N 2 2 254.309 0.026 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)C[C@@H]([NH3+])COC(C)(C)C)c1 ZINC001219634527 804383618 /nfs/dbraw/zinc/38/36/18/804383618.db2.gz YZYYVHUIFWNDHL-LLVKDONJSA-N 2 2 282.388 0.611 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)C2CCC(C[NH3+])CC2)c1 ZINC000313205594 804384809 /nfs/dbraw/zinc/38/48/09/804384809.db2.gz BUZPVZKEFBVOJF-UHFFFAOYSA-N 2 2 264.373 0.844 20 0 CCADLP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)CCc2ccc(N)[nH+]c2)C1 ZINC001219650337 804392444 /nfs/dbraw/zinc/39/24/44/804392444.db2.gz OCCAHGGOINGCMG-AAEUAGOBSA-N 2 2 276.384 0.958 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1F ZINC001219671951 804400348 /nfs/dbraw/zinc/40/03/48/804400348.db2.gz XTABRGGFCWLTOJ-GRYCIOLGSA-N 2 2 268.336 0.687 20 0 CCADLP CNc1ccc(CNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)cc1 ZINC001219954053 804457682 /nfs/dbraw/zinc/45/76/82/804457682.db2.gz BDBTUPABUAYJBH-WFASDCNBSA-N 2 2 274.368 0.296 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cnc2[nH]ccc2c1 ZINC001220013392 804472002 /nfs/dbraw/zinc/47/20/02/804472002.db2.gz UIWQPZVRIROABU-LBPRGKRZSA-N 2 2 284.323 0.472 20 0 CCADLP CCCOCCNC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220101533 804499748 /nfs/dbraw/zinc/49/97/48/804499748.db2.gz RUOGTSMETJUPAA-CYBMUJFWSA-N 2 2 265.357 0.802 20 0 CCADLP [NH3+][C@@H](CC1CCC1)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC001220186829 804532606 /nfs/dbraw/zinc/53/26/06/804532606.db2.gz VLACXRPSTFZLJN-QWRGUYRKSA-N 2 2 275.343 0.865 20 0 CCADLP CCOC(=O)C1=C(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CCCC1 ZINC001220217301 804539622 /nfs/dbraw/zinc/53/96/22/804539622.db2.gz UPEHQYRSFVDRJI-QWRGUYRKSA-N 2 2 281.356 0.041 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1CCCc2cccnc21 ZINC001220226345 804542573 /nfs/dbraw/zinc/54/25/73/804542573.db2.gz RALQMWVFSIHHJT-SDDRHHMPSA-N 2 2 260.341 0.122 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@H]2CCCc3cccnc32)C1 ZINC001220226732 804542787 /nfs/dbraw/zinc/54/27/87/804542787.db2.gz XGFDKNRBBUBPCF-WOPDTQHZSA-N 2 2 260.341 0.264 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1CCCc2cccnc21 ZINC001220226346 804543030 /nfs/dbraw/zinc/54/30/30/804543030.db2.gz RALQMWVFSIHHJT-SRVKXCTJSA-N 2 2 260.341 0.122 20 0 CCADLP C[C@@H](CCCC(C)(C)O)NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220243771 804547889 /nfs/dbraw/zinc/54/78/89/804547889.db2.gz YFUMJEBEVBVTDU-AXFHLTTASA-N 2 2 257.378 0.122 20 0 CCADLP Cc1ccc([C@H](C)NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)nc1 ZINC001220266610 804554934 /nfs/dbraw/zinc/55/49/34/804554934.db2.gz SYIFNRWBDJDBDM-JQWIXIFHSA-N 2 2 273.340 0.860 20 0 CCADLP C[NH2+][C@@H](CC(C)C)C(=O)NCc1c[nH+]cn1CCOC ZINC001220275386 804557980 /nfs/dbraw/zinc/55/79/80/804557980.db2.gz XYPVFRJWQJBMPD-ZDUSSCGKSA-N 2 2 282.388 0.780 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(Cl)nn1 ZINC001220369165 804582053 /nfs/dbraw/zinc/58/20/53/804582053.db2.gz TXZIGLDTLREVKS-VIFPVBQESA-N 2 2 280.719 0.039 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC(C)(C)CC[NH+](C)C ZINC001220386226 804591369 /nfs/dbraw/zinc/59/13/69/804591369.db2.gz LGGPVZXMOJXFMZ-LBPRGKRZSA-N 3 2 281.404 0.136 20 0 CCADLP COc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c(F)c1 ZINC001220391413 804592812 /nfs/dbraw/zinc/59/28/12/804592812.db2.gz HAMNELMKPVLSMA-RWEMILLDSA-N 2 2 281.331 0.701 20 0 CCADLP C[C@@H](CC(=O)N[C@@H]1C[N@H+](CCCF)C[C@@H]1O)n1cc[nH+]c1 ZINC001220441934 804605809 /nfs/dbraw/zinc/60/58/09/804605809.db2.gz SOAQAQCEYORXTM-XQQFMLRXSA-N 2 2 298.362 0.355 20 0 CCADLP C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@@H]1O)n1cc[nH+]c1 ZINC001220441934 804605815 /nfs/dbraw/zinc/60/58/15/804605815.db2.gz SOAQAQCEYORXTM-XQQFMLRXSA-N 2 2 298.362 0.355 20 0 CCADLP CCCC[C@@](CC)(NC(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1)C(=O)OCC ZINC001220637871 804640830 /nfs/dbraw/zinc/64/08/30/804640830.db2.gz JSHCSDVOCKGPDR-SLEUVZQESA-N 2 2 299.415 0.694 20 0 CCADLP N=C(NC(=O)C1([NH3+])CC[NH2+]CC1)c1cccnc1Cl ZINC001220660526 804644106 /nfs/dbraw/zinc/64/41/06/804644106.db2.gz IDCCSKJSGWNMHD-UHFFFAOYSA-N 2 2 281.747 0.257 20 0 CCADLP O=C(N[C@H]1COCc2ccccc21)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220658184 804644467 /nfs/dbraw/zinc/64/44/67/804644467.db2.gz QLDPOLJVLAXSOT-MHEUCROKSA-N 2 2 287.363 0.324 20 0 CCADLP COc1cc(F)cc(CNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)c1 ZINC001220666062 804645337 /nfs/dbraw/zinc/64/53/37/804645337.db2.gz QMJHHGLSJVMOOV-NHYWBVRUSA-N 2 2 293.342 0.402 20 0 CCADLP COc1cc(F)cc(CNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)c1 ZINC001220666061 804645683 /nfs/dbraw/zinc/64/56/83/804645683.db2.gz QMJHHGLSJVMOOV-IAQYHMDHSA-N 2 2 293.342 0.402 20 0 CCADLP C[C@](CO)(NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)c1ccccc1 ZINC001220711841 804653672 /nfs/dbraw/zinc/65/36/72/804653672.db2.gz SCDGIXGZYKUNPA-XOUADPBQSA-N 2 2 289.379 0.232 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C[C@@H]([NH3+])C(C)(C)C ZINC001220725240 804656862 /nfs/dbraw/zinc/65/68/62/804656862.db2.gz OSXGLXCZDPDLRS-NWDGAFQWSA-N 2 2 271.405 0.587 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C[C@@H]([NH3+])C(C)(C)C ZINC001220725240 804656865 /nfs/dbraw/zinc/65/68/65/804656865.db2.gz OSXGLXCZDPDLRS-NWDGAFQWSA-N 2 2 271.405 0.587 20 0 CCADLP O=C(NCc1sccc1Cl)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220821711 804672556 /nfs/dbraw/zinc/67/25/56/804672556.db2.gz OZPAPWKHEKLWMM-QPUJVOFHSA-N 2 2 285.800 0.969 20 0 CCADLP CCOC(=O)[C@@H](C)CNC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220848730 804679759 /nfs/dbraw/zinc/67/97/59/804679759.db2.gz HBVFADRVPVRMQP-GWCFXTLKSA-N 2 2 293.367 0.574 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1COc2ccc(Cl)cc21 ZINC001220958481 804707832 /nfs/dbraw/zinc/70/78/32/804707832.db2.gz MYFGNNYULDMDNR-GARJFASQSA-N 2 2 281.743 0.436 20 0 CCADLP O=C(NCc1c[nH+]cn1C1CCC1)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001221024153 804721691 /nfs/dbraw/zinc/72/16/91/804721691.db2.gz ZTJNZVQIBXDFTD-CYBMUJFWSA-N 3 2 289.383 0.033 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1cnc(Cl)cn1 ZINC001221319318 804775736 /nfs/dbraw/zinc/77/57/36/804775736.db2.gz VUGBZBLHKWSYMB-VIFPVBQESA-N 2 2 280.719 0.039 20 0 CCADLP CCCC(C[NH3+])(CCC)NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001221374049 804792820 /nfs/dbraw/zinc/79/28/20/804792820.db2.gz ULPDEEGBISCGRK-MNOVXSKESA-N 3 2 256.394 0.090 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222099172 804869054 /nfs/dbraw/zinc/86/90/54/804869054.db2.gz UHUQLUQMRFODJB-CHWSQXEVSA-N 2 2 280.372 0.499 20 0 CCADLP [NH3+][C@@H]1NC(CN2CCC[C@@]23CCC[NH2+]C3)=CS1 ZINC001222232151 804883721 /nfs/dbraw/zinc/88/37/21/804883721.db2.gz SETWHVKHOPHADA-VXGBXAGGSA-N 2 2 254.403 0.625 20 0 CCADLP Cc1cccc(N2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)[nH+]1 ZINC001276981268 805057168 /nfs/dbraw/zinc/05/71/68/805057168.db2.gz WCPOBRSSPJASFU-GJZGRUSLSA-N 2 2 290.411 0.841 20 0 CCADLP CC[NH+](CC)CCO[C@@H]1C[C@@H](C(=O)OC)[N@@H+](C)C1 ZINC001224927201 805092111 /nfs/dbraw/zinc/09/21/11/805092111.db2.gz FPXFXKMCMIXFNA-NEPJUHHUSA-N 2 2 258.362 0.591 20 0 CCADLP CC[NH+](CC)CCO[C@@H]1C[C@@H](C(=O)OC)[N@H+](C)C1 ZINC001224927201 805092103 /nfs/dbraw/zinc/09/21/03/805092103.db2.gz FPXFXKMCMIXFNA-NEPJUHHUSA-N 2 2 258.362 0.591 20 0 CCADLP Cc1nnc(NCC[NH+]2CCC([NH3+])CC2)nc1C ZINC000322259153 805189204 /nfs/dbraw/zinc/18/92/04/805189204.db2.gz SBHJZEHUFXEPBR-UHFFFAOYSA-N 2 2 250.350 0.323 20 0 CCADLP C[C@@]1([NH3+])CC[N@H+](C[C@H](O)COCC(F)(F)C(F)F)C1 ZINC001246013717 807115865 /nfs/dbraw/zinc/11/58/65/807115865.db2.gz IRDXRQDYRYQWAL-WCBMZHEXSA-N 2 2 288.285 0.687 20 0 CCADLP C[C@@]1([NH3+])CC[N@@H+](C[C@H](O)COCC(F)(F)C(F)F)C1 ZINC001246013717 807115870 /nfs/dbraw/zinc/11/58/70/807115870.db2.gz IRDXRQDYRYQWAL-WCBMZHEXSA-N 2 2 288.285 0.687 20 0 CCADLP COCC[NH2+][C@H]1C[C@H](C)N(C(=O)CCc2c[nH+]cn2C)C1 ZINC001278417704 807097580 /nfs/dbraw/zinc/09/75/80/807097580.db2.gz WJKQPXVAILRAMU-STQMWFEESA-N 2 2 294.399 0.578 20 0 CCADLP CC(C)[NH+]1CC(Nc2cc(N3CC[NH+](C)CC3)ncn2)C1 ZINC001168313276 815089362 /nfs/dbraw/zinc/08/93/62/815089362.db2.gz QKCSINIPRZAJRX-UHFFFAOYSA-N 2 2 290.415 0.733 20 0 CCADLP C[C@@H]1CC[C@H](C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)C[NH2+]1 ZINC001245974447 807104353 /nfs/dbraw/zinc/10/43/53/807104353.db2.gz MQTSXSSIISYKLW-UPJWGTAASA-N 3 2 257.422 0.713 20 0 CCADLP CC[C@@H](O)C[NH2+][C@@H](CCC[NH3+])C(=O)OC(C)(C)C ZINC001245981599 807105797 /nfs/dbraw/zinc/10/57/97/807105797.db2.gz AQPDEZIOZRTXFT-MNOVXSKESA-N 2 2 260.378 0.796 20 0 CCADLP C[C@](O)(C[NH2+][C@H]1CC12C[NH2+]C2)C(=O)OCc1ccccc1 ZINC001246011128 807114267 /nfs/dbraw/zinc/11/42/67/807114267.db2.gz RVIGUCLALIDRGA-ZFWWWQNUSA-N 2 2 290.363 0.432 20 0 CCADLP C[C@@](O)(C[NH2+][C@H]1CC12C[NH2+]C2)C(=O)OCc1ccccc1 ZINC001246011124 807114417 /nfs/dbraw/zinc/11/44/17/807114417.db2.gz RVIGUCLALIDRGA-DZGCQCFKSA-N 2 2 290.363 0.432 20 0 CCADLP CC(C)(C)OC(=O)[C@@H](O)C[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246027350 807125778 /nfs/dbraw/zinc/12/57/78/807125778.db2.gz XYCPHGKICLJZEC-ZJUUUORDSA-N 2 2 294.342 0.605 20 0 CCADLP CC(C)(C)OC(=O)[C@@H](O)C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246027350 807125781 /nfs/dbraw/zinc/12/57/81/807125781.db2.gz XYCPHGKICLJZEC-ZJUUUORDSA-N 2 2 294.342 0.605 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@]2(F)CCCC[NH2+]C2)CN1 ZINC001246115118 807156676 /nfs/dbraw/zinc/15/66/76/807156676.db2.gz QZWWDMKDMHJQJP-DYEKYZERSA-N 2 2 287.379 0.351 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2C[NH2+]CC23CC3)CO1 ZINC001246128768 807160895 /nfs/dbraw/zinc/16/08/95/807160895.db2.gz FFXWRTZAIVDZLM-WOPDTQHZSA-N 2 2 268.357 0.439 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)C[NH2+]1 ZINC001246143276 807166261 /nfs/dbraw/zinc/16/62/61/807166261.db2.gz PQJYKNDHJXEUAP-QMVSFRDZSA-N 3 2 253.390 0.341 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]C[C@@H]2[C@H](N[C@@H]3CC[C@@H](C)[NH2+]C3)CC[C@@H]21 ZINC001246148136 807167433 /nfs/dbraw/zinc/16/74/33/807167433.db2.gz DVNKIBXKYZRYII-YRKSKIDTSA-N 2 2 295.427 0.646 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCNC(=O)C(F)(F)F)CC[NH2+]1 ZINC001246178641 807178277 /nfs/dbraw/zinc/17/82/77/807178277.db2.gz JTXRDOQGLTWHFH-JGVFFNPUSA-N 2 2 253.268 0.395 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N2CC[C@@H]([NH3+])c3ccccc32)C[NH2+]1 ZINC001246260009 807200421 /nfs/dbraw/zinc/20/04/21/807200421.db2.gz DCRHLVWUGUSVDK-UHTWSYAYSA-N 2 2 275.352 0.800 20 0 CCADLP COC(=O)CC1([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)CCOCC1 ZINC001246330662 807223464 /nfs/dbraw/zinc/22/34/64/807223464.db2.gz XHAUSJADGGLSLK-VXGBXAGGSA-N 2 2 270.373 0.829 20 0 CCADLP C1C[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)[C@H](N2CCOCC2)C1 ZINC001246333791 807225670 /nfs/dbraw/zinc/22/56/70/807225670.db2.gz AFRIPTNYCCUUCW-MGPQQGTHSA-N 2 2 253.390 0.581 20 0 CCADLP O=C(c1ccncc1)N1CC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC001246361024 807233263 /nfs/dbraw/zinc/23/32/63/807233263.db2.gz MPVZFEHTTJCJJP-ZIAGYGMSSA-N 2 2 274.368 0.638 20 0 CCADLP COCC[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246360014 807234201 /nfs/dbraw/zinc/23/42/01/807234201.db2.gz QDQMHUVJIJOTHT-YIONKMFJSA-N 3 2 267.417 0.970 20 0 CCADLP COC(=O)[C@H](CCC[NH3+])[NH2+][C@@H](C)Cc1cccnc1 ZINC001246401532 807243463 /nfs/dbraw/zinc/24/34/63/807243463.db2.gz MTPZYWGLGYNQNC-AAEUAGOBSA-N 2 2 265.357 0.883 20 0 CCADLP COC(=O)[C@H](CCC[NH3+])[NH2+][C@H]1CCc2ncsc2C1 ZINC001246418556 807248650 /nfs/dbraw/zinc/24/86/50/807248650.db2.gz RMEQUBSMPOWCRX-ONGXEEELSA-N 2 2 283.397 0.871 20 0 CCADLP c1cnc(N2CCC[C@H]([NH2+][C@H]3CCC[NH2+]C3)C2)cn1 ZINC001246437858 807251188 /nfs/dbraw/zinc/25/11/88/807251188.db2.gz WFQJEOLDVUCISB-STQMWFEESA-N 2 2 261.373 0.787 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N[C@H]2CC23C[NH2+]C3)C[NH2+]1 ZINC001246446401 807252917 /nfs/dbraw/zinc/25/29/17/807252917.db2.gz SJCAOGPAIRGRMI-VWYCJHECSA-N 2 2 267.373 0.010 20 0 CCADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246470636 807259521 /nfs/dbraw/zinc/25/95/21/807259521.db2.gz QPDQXPJIXGYION-DYEKYZERSA-N 2 2 294.399 0.624 20 0 CCADLP CC[C@@]1(C(=O)OC)C[C@@H](N[C@@H]2C[NH2+]C[C@H](C)C2)C[NH2+]1 ZINC001246497707 807266641 /nfs/dbraw/zinc/26/66/41/807266641.db2.gz PLYDCLFNVJKVNZ-CZXHOFHRSA-N 2 2 269.389 0.258 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N[C@H](C[NH3+])c2cccc(OC)c2)C[NH2+]1 ZINC001246513953 807270748 /nfs/dbraw/zinc/27/07/48/807270748.db2.gz YSZIYIKOJJMXHG-KWCYVHTRSA-N 2 2 293.367 0.188 20 0 CCADLP [NH3+][C@@H]1C[N@@H+](C2CCN(c3ccc(F)cc3)CC2)C[C@H]1O ZINC001246559172 807288819 /nfs/dbraw/zinc/28/88/19/807288819.db2.gz SEKIRRCXFFQFOK-HUUCEWRRSA-N 2 2 279.359 0.798 20 0 CCADLP [NH3+][C@@H]1C[N@H+](C2CCN(c3ccc(F)cc3)CC2)C[C@H]1O ZINC001246559172 807288824 /nfs/dbraw/zinc/28/88/24/807288824.db2.gz SEKIRRCXFFQFOK-HUUCEWRRSA-N 2 2 279.359 0.798 20 0 CCADLP C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@](O)(C[NH3+])C2)C[C@H](C)[NH2+]1 ZINC001246560001 807288999 /nfs/dbraw/zinc/28/89/99/807288999.db2.gz OQZFHFMSDXMSAE-XJFOESAGSA-N 3 2 255.406 0.691 20 0 CCADLP C[C@@H]1C[C@@H]([N@H+]2CCCC[C@@](O)(C[NH3+])C2)C[C@H](C)[NH2+]1 ZINC001246560001 807289003 /nfs/dbraw/zinc/28/90/03/807289003.db2.gz OQZFHFMSDXMSAE-XJFOESAGSA-N 3 2 255.406 0.691 20 0 CCADLP N[C@@H]1C[N@@H+](C2CCC([NH+]3CCOCC3)CC2)CC[C@H]1O ZINC001246566008 807292591 /nfs/dbraw/zinc/29/25/91/807292591.db2.gz DAHLIQRKPNGFCY-NEXFUWMNSA-N 2 2 283.416 0.024 20 0 CCADLP N[C@@H]1C[N@H+](C2CCC([NH+]3CCOCC3)CC2)CC[C@H]1O ZINC001246566008 807292597 /nfs/dbraw/zinc/29/25/97/807292597.db2.gz DAHLIQRKPNGFCY-NEXFUWMNSA-N 2 2 283.416 0.024 20 0 CCADLP C[C@H]1C[C@H]([N@@H+]2C[C@](O)(C(F)(F)F)C[C@H]2CO)CC[NH2+]1 ZINC001246568750 807293862 /nfs/dbraw/zinc/29/38/62/807293862.db2.gz AYFRPPSEKFNHBJ-VLEAKVRGSA-N 2 2 282.306 0.487 20 0 CCADLP C[C@H]1C[C@H]([N@H+]2C[C@](O)(C(F)(F)F)C[C@H]2CO)CC[NH2+]1 ZINC001246568750 807293869 /nfs/dbraw/zinc/29/38/69/807293869.db2.gz AYFRPPSEKFNHBJ-VLEAKVRGSA-N 2 2 282.306 0.487 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)CCN1 ZINC001246571518 807296512 /nfs/dbraw/zinc/29/65/12/807296512.db2.gz UZWOYULDFFFICZ-NDBYEHHHSA-N 2 2 269.389 0.339 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)CCN1 ZINC001246571518 807296516 /nfs/dbraw/zinc/29/65/16/807296516.db2.gz UZWOYULDFFFICZ-NDBYEHHHSA-N 2 2 269.389 0.339 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C[C@@H]1O ZINC001246584485 807306048 /nfs/dbraw/zinc/30/60/48/807306048.db2.gz NFVMQQWIBVECOG-HZMVEIRTSA-N 3 2 289.423 0.601 20 0 CCADLP [NH3+]C[C@H]1C[N@H+]([C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)C[C@@H]1O ZINC001246584485 807306055 /nfs/dbraw/zinc/30/60/55/807306055.db2.gz NFVMQQWIBVECOG-HZMVEIRTSA-N 3 2 289.423 0.601 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+]([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C[C@@H]1O ZINC001246584494 807306175 /nfs/dbraw/zinc/30/61/75/807306175.db2.gz NFVMQQWIBVECOG-QAETUUGQSA-N 3 2 289.423 0.601 20 0 CCADLP [NH3+]C[C@H]1C[N@H+]([C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)C[C@@H]1O ZINC001246584494 807306185 /nfs/dbraw/zinc/30/61/85/807306185.db2.gz NFVMQQWIBVECOG-QAETUUGQSA-N 3 2 289.423 0.601 20 0 CCADLP C[C@@]1(C[NH3+])CCCC[N@@H+]([C@H]2CCS(=O)(=O)C2)C1 ZINC001246588262 807308782 /nfs/dbraw/zinc/30/87/82/807308782.db2.gz YHXKRCXULWSQKY-RYUDHWBXSA-N 2 2 260.403 0.624 20 0 CCADLP C[C@@]1(C[NH3+])CCCC[N@H+]([C@H]2CCS(=O)(=O)C2)C1 ZINC001246588262 807308789 /nfs/dbraw/zinc/30/87/89/807308789.db2.gz YHXKRCXULWSQKY-RYUDHWBXSA-N 2 2 260.403 0.624 20 0 CCADLP CS(=O)(=O)N1CCC([N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CC1 ZINC001246593053 807312957 /nfs/dbraw/zinc/31/29/57/807312957.db2.gz WFRQQRBLXDPHFE-NEPJUHHUSA-N 2 2 293.408 0.172 20 0 CCADLP CS(=O)(=O)N1CCC([N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)CC1 ZINC001246593053 807312966 /nfs/dbraw/zinc/31/29/66/807312966.db2.gz WFRQQRBLXDPHFE-NEPJUHHUSA-N 2 2 293.408 0.172 20 0 CCADLP CCOC(=O)C1=C(O)CC[N@@H+]([C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246597205 807316688 /nfs/dbraw/zinc/31/66/88/807316688.db2.gz SOPRXWMVVNGWMM-QJPTWQEYSA-N 2 2 268.357 0.581 20 0 CCADLP CCOC(=O)C1=C(O)CC[N@H+]([C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246597205 807316695 /nfs/dbraw/zinc/31/66/95/807316695.db2.gz SOPRXWMVVNGWMM-QJPTWQEYSA-N 2 2 268.357 0.581 20 0 CCADLP CC1(C)C[C@H](N2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)CO1 ZINC001246618157 807327108 /nfs/dbraw/zinc/32/71/08/807327108.db2.gz KNDNMYBASANNME-AVGNSLFASA-N 2 2 253.390 0.580 20 0 CCADLP C1C[C@H]2CC([N@@H+]3CCO[C@@H]4C[NH2+]C[C@@H]4C3)C[C@@H]1[NH2+]2 ZINC001246623275 807331187 /nfs/dbraw/zinc/33/11/87/807331187.db2.gz LFRDNKAQIYFUEK-SYCZCVCYSA-N 3 2 251.374 0.190 20 0 CCADLP C1C[C@H]2CC([N@H+]3CCO[C@@H]4C[NH2+]C[C@@H]4C3)C[C@@H]1[NH2+]2 ZINC001246623275 807331195 /nfs/dbraw/zinc/33/11/95/807331195.db2.gz LFRDNKAQIYFUEK-SYCZCVCYSA-N 3 2 251.374 0.190 20 0 CCADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246643836 807342127 /nfs/dbraw/zinc/34/21/27/807342127.db2.gz QCISGRMXZUCAOV-FXUDXRNXSA-N 3 2 278.444 0.639 20 0 CCADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCN[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246643836 807342135 /nfs/dbraw/zinc/34/21/35/807342135.db2.gz QCISGRMXZUCAOV-FXUDXRNXSA-N 3 2 278.444 0.639 20 0 CCADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCN[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246643836 807342142 /nfs/dbraw/zinc/34/21/42/807342142.db2.gz QCISGRMXZUCAOV-FXUDXRNXSA-N 3 2 278.444 0.639 20 0 CCADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCN[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246643836 807342150 /nfs/dbraw/zinc/34/21/50/807342150.db2.gz QCISGRMXZUCAOV-FXUDXRNXSA-N 3 2 278.444 0.639 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([N@@H+]2CCCC23CC[NH2+]CC3)CN1 ZINC001246650205 807346158 /nfs/dbraw/zinc/34/61/58/807346158.db2.gz BHYKEMVRZXZSBW-NEPJUHHUSA-N 2 2 267.373 0.108 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([N@H+]2CCCC23CC[NH2+]CC3)CN1 ZINC001246650205 807346167 /nfs/dbraw/zinc/34/61/67/807346167.db2.gz BHYKEMVRZXZSBW-NEPJUHHUSA-N 2 2 267.373 0.108 20 0 CCADLP C[C@H]1CC[C@H]([NH+]2CCC(C(=O)N3CC[NH2+]CC3)CC2)C[NH2+]1 ZINC001246675506 807352966 /nfs/dbraw/zinc/35/29/66/807352966.db2.gz RUNLXOYPCIIHPF-ZFWWWQNUSA-N 3 2 294.443 0.271 20 0 CCADLP C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)C[NH2+]1 ZINC001246684147 807353819 /nfs/dbraw/zinc/35/38/19/807353819.db2.gz KZZKNYGSYDKTJI-KJWHEZOQSA-N 3 2 265.401 0.580 20 0 CCADLP C[C@@H]1CC[C@@H]([N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)C[NH2+]1 ZINC001246684147 807353828 /nfs/dbraw/zinc/35/38/28/807353828.db2.gz KZZKNYGSYDKTJI-KJWHEZOQSA-N 3 2 265.401 0.580 20 0 CCADLP COC(=O)[C@H]([NH3+])[C@@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246926504 807430233 /nfs/dbraw/zinc/43/02/33/807430233.db2.gz UAMXCINMPSWMOR-SYCZCVCYSA-N 2 2 281.400 0.482 20 0 CCADLP c1cc(N2CCC([N@@H+]3C[C@H]4C[NH2+]C[C@H]43)CC2)cc[nH+]1 ZINC001246923807 807430651 /nfs/dbraw/zinc/43/06/51/807430651.db2.gz ZODKQWINRFZJCL-IUODEOHRSA-N 3 2 258.369 0.954 20 0 CCADLP c1cc(N2CCC([N@H+]3C[C@H]4C[NH2+]C[C@H]43)CC2)cc[nH+]1 ZINC001246923807 807430656 /nfs/dbraw/zinc/43/06/56/807430656.db2.gz ZODKQWINRFZJCL-IUODEOHRSA-N 3 2 258.369 0.954 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C[C@@H]1[NH3+] ZINC001246929983 807431341 /nfs/dbraw/zinc/43/13/41/807431341.db2.gz JBZGWLKLIRIPQS-CXTNEJHOSA-N 3 2 281.400 0.341 20 0 CCADLP COC(=O)[C@@H]1C[N@H+]([C@@H]2CCC[C@]3(CC[NH2+]C3)C2)C[C@@H]1[NH3+] ZINC001246929983 807431346 /nfs/dbraw/zinc/43/13/46/807431346.db2.gz JBZGWLKLIRIPQS-CXTNEJHOSA-N 3 2 281.400 0.341 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C2CCC3(CC[NH2+]C3)CC2)C[C@@H]1[NH3+] ZINC001246930614 807432289 /nfs/dbraw/zinc/43/22/89/807432289.db2.gz LLFOWANYRFRCGQ-ICRTXTNUSA-N 3 2 281.400 0.341 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C2CCC3(CC[NH2+]C3)CC2)C[C@@H]1[NH3+] ZINC001246930614 807432292 /nfs/dbraw/zinc/43/22/92/807432292.db2.gz LLFOWANYRFRCGQ-ICRTXTNUSA-N 3 2 281.400 0.341 20 0 CCADLP COC(=O)CC1CCC([N@@H+]2C[C@@H]([NH3+])[C@@H](C(=O)OC)C2)CC1 ZINC001246935862 807433228 /nfs/dbraw/zinc/43/32/28/807433228.db2.gz ZGSCFQOKQHMMKZ-IFWUJCSASA-N 2 2 298.383 0.540 20 0 CCADLP COC(=O)CC1CCC([N@H+]2C[C@@H]([NH3+])[C@@H](C(=O)OC)C2)CC1 ZINC001246935862 807433233 /nfs/dbraw/zinc/43/32/33/807433233.db2.gz ZGSCFQOKQHMMKZ-IFWUJCSASA-N 2 2 298.383 0.540 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+]([C@@H]2C[C@@H]3[C@H](C2)C3(C)C)C[C@@H]1[NH3+] ZINC001246933956 807434021 /nfs/dbraw/zinc/43/40/21/807434021.db2.gz UMLMEBXGZNKYEN-JCIQBVFBSA-N 2 2 252.358 0.853 20 0 CCADLP COC(=O)[C@@H]1C[N@H+]([C@@H]2C[C@@H]3[C@H](C2)C3(C)C)C[C@@H]1[NH3+] ZINC001246933956 807434024 /nfs/dbraw/zinc/43/40/24/807434024.db2.gz UMLMEBXGZNKYEN-JCIQBVFBSA-N 2 2 252.358 0.853 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+]([C@@H]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1[NH3+] ZINC001246932508 807434349 /nfs/dbraw/zinc/43/43/49/807434349.db2.gz PRKDCEPSFOZFCS-ROHXPCBUSA-N 2 2 256.346 0.375 20 0 CCADLP COC(=O)[C@@H]1C[N@H+]([C@@H]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1[NH3+] ZINC001246932508 807434355 /nfs/dbraw/zinc/43/43/55/807434355.db2.gz PRKDCEPSFOZFCS-ROHXPCBUSA-N 2 2 256.346 0.375 20 0 CCADLP COc1cnc(N2CC[NH+]([C@@H]3CC[NH2+][C@H](C)C3)CC2)nc1 ZINC001246957897 807440676 /nfs/dbraw/zinc/44/06/76/807440676.db2.gz DTMDGPSLGWFCPR-CHWSQXEVSA-N 2 2 291.399 0.748 20 0 CCADLP C[C@@H]1C[N@H+](C2CN(C3CC[NH2+]CC3)C2)C[C@H](C)O1 ZINC001246985804 807447263 /nfs/dbraw/zinc/44/72/63/807447263.db2.gz DFSOKLJTDXGWCJ-TXEJJXNPSA-N 2 2 253.390 0.532 20 0 CCADLP C[C@@H]1C[N@@H+](C2CN(C3CC[NH2+]CC3)C2)C[C@H](C)O1 ZINC001246985804 807447266 /nfs/dbraw/zinc/44/72/66/807447266.db2.gz DFSOKLJTDXGWCJ-TXEJJXNPSA-N 2 2 253.390 0.532 20 0 CCADLP CC(=O)c1ccc(F)c(-c2noc(C[C@@H]([NH3+])C[NH3+])n2)c1 ZINC001249129356 807544392 /nfs/dbraw/zinc/54/43/92/807544392.db2.gz MGEDYMALRHCEKB-SECBINFHSA-N 2 2 278.287 0.907 20 0 CCADLP [NH3+]CCNCc1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001249265070 807548686 /nfs/dbraw/zinc/54/86/86/807548686.db2.gz BOZSOXVNRNBOCM-UHFFFAOYSA-N 2 2 284.323 0.971 20 0 CCADLP O[C@H](CNc1cc[nH+]c2c1CCC2)C[NH+]1CCOCC1 ZINC001251007879 807638426 /nfs/dbraw/zinc/63/84/26/807638426.db2.gz WBAATHOQECOJFO-GFCCVEGCSA-N 2 2 277.368 0.097 20 0 CCADLP Cc1cc(NC[C@@H](O)C[NH+]2CCOCC2)c2cc[nH]c2[nH+]1 ZINC001251006724 807639057 /nfs/dbraw/zinc/63/90/57/807639057.db2.gz OWXGSRFGKLVJQO-GFCCVEGCSA-N 2 2 290.367 0.928 20 0 CCADLP C[NH+]1CCC(CO)([NH2+]C[C@H](O)COc2ccccc2)CC1 ZINC001251260586 807677836 /nfs/dbraw/zinc/67/78/36/807677836.db2.gz ZHQNZOFFPLADGC-AWEZNQCLSA-N 2 2 294.395 0.473 20 0 CCADLP CCOCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC001278696791 808003008 /nfs/dbraw/zinc/00/30/08/808003008.db2.gz NSVHJQSHHAMYKS-CYBMUJFWSA-N 2 2 294.399 0.746 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC001253189503 808023903 /nfs/dbraw/zinc/02/39/03/808023903.db2.gz JOUKGHPDUZHMFU-HNNXBMFYSA-N 2 2 297.443 0.680 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@@H](N(C)C(C)=O)C1 ZINC001253192714 808025859 /nfs/dbraw/zinc/02/58/59/808025859.db2.gz XELBVDZNKVHHRR-ZIAGYGMSSA-N 2 2 271.405 0.242 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(C)=O)C1 ZINC001253192714 808025864 /nfs/dbraw/zinc/02/58/64/808025864.db2.gz XELBVDZNKVHHRR-ZIAGYGMSSA-N 2 2 271.405 0.242 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@H+](C)[C@H]1CCCN(C(C)=O)C1 ZINC001253194194 808026122 /nfs/dbraw/zinc/02/61/22/808026122.db2.gz KHKZVZLPIXGOKD-GJZGRUSLSA-N 2 2 285.432 0.632 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+](C)[C@H]1CCCN(C(C)=O)C1 ZINC001253194194 808026130 /nfs/dbraw/zinc/02/61/30/808026130.db2.gz KHKZVZLPIXGOKD-GJZGRUSLSA-N 2 2 285.432 0.632 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+]Cc1c(=O)[nH]c(C)cc1OC ZINC001253211166 808033165 /nfs/dbraw/zinc/03/31/65/808033165.db2.gz CJPXNUIOIKHZNU-LBPRGKRZSA-N 2 2 297.399 0.897 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC001253393548 808055336 /nfs/dbraw/zinc/05/53/36/808055336.db2.gz WTUQECLBSWXLJM-QWHCGFSZSA-N 2 2 281.404 0.664 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC001253393548 808055344 /nfs/dbraw/zinc/05/53/44/808055344.db2.gz WTUQECLBSWXLJM-QWHCGFSZSA-N 2 2 281.404 0.664 20 0 CCADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2C[C@H]2[NH3+])CC1=O ZINC001254242872 808198592 /nfs/dbraw/zinc/19/85/92/808198592.db2.gz YMEFOYVUSUDEPW-OPRDCNLKSA-N 2 2 269.345 0.602 20 0 CCADLP OCC1(CO)CC([NH2+][C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254839597 808283938 /nfs/dbraw/zinc/28/39/38/808283938.db2.gz UEKHKIQZYOLFBO-GFCCVEGCSA-N 2 2 254.374 0.194 20 0 CCADLP OC1CCN(CC[NH2+][C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254840182 808286045 /nfs/dbraw/zinc/28/60/45/808286045.db2.gz DEEONHMKYQVOPC-AWEZNQCLSA-N 2 2 267.417 0.517 20 0 CCADLP C[N@@H+]1CC[C@@H](N[C@H]2CC[NH+](C3CCOCC3)C2)C1 ZINC001255421430 808358141 /nfs/dbraw/zinc/35/81/41/808358141.db2.gz KCYHRGAWBDKVER-OLZOCXBDSA-N 2 2 253.390 0.533 20 0 CCADLP C[N@H+]1CC[C@@H](N[C@H]2CC[NH+](C3CCOCC3)C2)C1 ZINC001255421430 808358149 /nfs/dbraw/zinc/35/81/49/808358149.db2.gz KCYHRGAWBDKVER-OLZOCXBDSA-N 2 2 253.390 0.533 20 0 CCADLP C[NH+]1CC[C@@H](N[C@H]2CC[N@@H+](C3CCOCC3)C2)C1 ZINC001255421430 808358156 /nfs/dbraw/zinc/35/81/56/808358156.db2.gz KCYHRGAWBDKVER-OLZOCXBDSA-N 2 2 253.390 0.533 20 0 CCADLP C[NH+]1CC[C@@H](N[C@H]2CC[N@H+](C3CCOCC3)C2)C1 ZINC001255421430 808358165 /nfs/dbraw/zinc/35/81/65/808358165.db2.gz KCYHRGAWBDKVER-OLZOCXBDSA-N 2 2 253.390 0.533 20 0 CCADLP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+][C@@H]2COC[C@H]2[NH3+])C1 ZINC001255589362 808410482 /nfs/dbraw/zinc/41/04/82/808410482.db2.gz YXALWCJIUTYAAS-GMTAPVOTSA-N 2 2 271.361 0.312 20 0 CCADLP CNC(=O)N1CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001255682440 808423028 /nfs/dbraw/zinc/42/30/28/808423028.db2.gz JHFNZLOVNPFNSV-PBWFPOADSA-N 2 2 280.416 0.959 20 0 CCADLP CNC(=O)N1CC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001255682440 808423032 /nfs/dbraw/zinc/42/30/32/808423032.db2.gz JHFNZLOVNPFNSV-PBWFPOADSA-N 2 2 280.416 0.959 20 0 CCADLP CCOC(=O)N1CC[C@@H]([NH2+][C@]2(C[NH3+])CN3CCC2CC3)C1 ZINC001256020797 808451004 /nfs/dbraw/zinc/45/10/04/808451004.db2.gz QZRBPSWAALOSFK-UKRRQHHQSA-N 2 2 296.415 0.230 20 0 CCADLP CC(C)(C)[NH+]1CCC([N@@H+]2CCOC[C@H](O)C2)CC1 ZINC001256569687 808534398 /nfs/dbraw/zinc/53/43/98/808534398.db2.gz NNCZJEZFWIDHNW-CYBMUJFWSA-N 2 2 256.390 0.942 20 0 CCADLP CC(C)(C)[NH+]1CCC([N@H+]2CCOC[C@H](O)C2)CC1 ZINC001256569687 808534402 /nfs/dbraw/zinc/53/44/02/808534402.db2.gz NNCZJEZFWIDHNW-CYBMUJFWSA-N 2 2 256.390 0.942 20 0 CCADLP c1nc2n(n1)CC[N@@H+](C1CCC([NH+]3CCOCC3)CC1)C2 ZINC001256688540 808550337 /nfs/dbraw/zinc/55/03/37/808550337.db2.gz DLJJLEZPNJXCNK-UHFFFAOYSA-N 2 2 291.399 0.737 20 0 CCADLP c1nc2n(n1)CC[N@H+](C1CCC([NH+]3CCOCC3)CC1)C2 ZINC001256688540 808550344 /nfs/dbraw/zinc/55/03/44/808550344.db2.gz DLJJLEZPNJXCNK-UHFFFAOYSA-N 2 2 291.399 0.737 20 0 CCADLP OCC(F)(F)C[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256685650 808550988 /nfs/dbraw/zinc/55/09/88/808550988.db2.gz DVIAHVLEDNRCAP-UHFFFAOYSA-N 2 2 278.343 0.847 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](C2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC001256848587 808563663 /nfs/dbraw/zinc/56/36/63/808563663.db2.gz QKOWIYLYTCBQIQ-OAHLLOKOSA-N 3 2 276.384 0.710 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](C2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC001256848587 808563670 /nfs/dbraw/zinc/56/36/70/808563670.db2.gz QKOWIYLYTCBQIQ-OAHLLOKOSA-N 3 2 276.384 0.710 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C[NH2+]CCO ZINC001279102583 808687261 /nfs/dbraw/zinc/68/72/61/808687261.db2.gz HPSAZRAXCJOKIT-NEPJUHHUSA-N 2 2 280.372 0.019 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C[NH2+]CCO ZINC001279102583 808687263 /nfs/dbraw/zinc/68/72/63/808687263.db2.gz HPSAZRAXCJOKIT-NEPJUHHUSA-N 2 2 280.372 0.019 20 0 CCADLP CCC[NH+]1CCC(N2CC[N@H+](CC(N)=O)C(C)(C)C2)CC1 ZINC001258775507 808701711 /nfs/dbraw/zinc/70/17/11/808701711.db2.gz RAASRFLEVPRYEV-UHFFFAOYSA-N 2 2 296.459 0.742 20 0 CCADLP CCC[NH+]1CCC(N2CC[N@@H+](CC(N)=O)C(C)(C)C2)CC1 ZINC001258775507 808701716 /nfs/dbraw/zinc/70/17/16/808701716.db2.gz RAASRFLEVPRYEV-UHFFFAOYSA-N 2 2 296.459 0.742 20 0 CCADLP CCC[NH+]1CCC([N@@H+]2CCN(CC(N)=O)C(C)(C)C2)CC1 ZINC001258775507 808701720 /nfs/dbraw/zinc/70/17/20/808701720.db2.gz RAASRFLEVPRYEV-UHFFFAOYSA-N 2 2 296.459 0.742 20 0 CCADLP CCC[NH+]1CCC([N@H+]2CCN(CC(N)=O)C(C)(C)C2)CC1 ZINC001258775507 808701725 /nfs/dbraw/zinc/70/17/25/808701725.db2.gz RAASRFLEVPRYEV-UHFFFAOYSA-N 2 2 296.459 0.742 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001259123983 808733927 /nfs/dbraw/zinc/73/39/27/808733927.db2.gz UOIWYFBVYRRLPP-GFCCVEGCSA-N 2 2 262.357 0.659 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001259123983 808733931 /nfs/dbraw/zinc/73/39/31/808733931.db2.gz UOIWYFBVYRRLPP-GFCCVEGCSA-N 2 2 262.357 0.659 20 0 CCADLP CC[NH2+]CCCNC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC001262583538 809356667 /nfs/dbraw/zinc/35/66/67/809356667.db2.gz AMAQHKMKJCNBOE-CYBMUJFWSA-N 2 2 286.420 0.396 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC001263110227 809449879 /nfs/dbraw/zinc/44/98/79/809449879.db2.gz QQYAYPQAPJKFMG-IRCOFANPSA-N 2 2 262.357 0.767 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC001263187879 809475686 /nfs/dbraw/zinc/47/56/86/809475686.db2.gz AGQBLQIRALSEOE-GWSUEFFPSA-N 2 2 281.400 0.237 20 0 CCADLP [NH3+][C@H]1C[C@@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001263320806 809510441 /nfs/dbraw/zinc/51/04/41/809510441.db2.gz MBELTCOSGBGGEH-NTZNESFSSA-N 2 2 267.373 0.236 20 0 CCADLP [NH3+][C@H]1C[C@@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001263320806 809510448 /nfs/dbraw/zinc/51/04/48/809510448.db2.gz MBELTCOSGBGGEH-NTZNESFSSA-N 2 2 267.373 0.236 20 0 CCADLP C[N@H+](CCCNC(=O)Cn1cc[nH+]c1)C[C@H]1CCOC1 ZINC001265076293 809705335 /nfs/dbraw/zinc/70/53/35/809705335.db2.gz RHSCBKZHXRPEED-CYBMUJFWSA-N 2 2 280.372 0.358 20 0 CCADLP C[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)C[C@H]1CCOC1 ZINC001265076293 809705339 /nfs/dbraw/zinc/70/53/39/809705339.db2.gz RHSCBKZHXRPEED-CYBMUJFWSA-N 2 2 280.372 0.358 20 0 CCADLP COCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001265089076 809706252 /nfs/dbraw/zinc/70/62/52/809706252.db2.gz JIXFBPGUWXPRIC-GXTWGEPZSA-N 2 2 294.399 0.958 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CCF)C[C@H]32)C1 ZINC001076594154 815316287 /nfs/dbraw/zinc/31/62/87/815316287.db2.gz IZEZGGDDYBLMGG-MJBXVCDLSA-N 2 2 299.390 0.209 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](CCF)C[C@H]32)C1 ZINC001076594154 815316295 /nfs/dbraw/zinc/31/62/95/815316295.db2.gz IZEZGGDDYBLMGG-MJBXVCDLSA-N 2 2 299.390 0.209 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](CCF)C[C@H]32)C1 ZINC001076594154 815316301 /nfs/dbraw/zinc/31/63/01/815316301.db2.gz IZEZGGDDYBLMGG-MJBXVCDLSA-N 2 2 299.390 0.209 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCF)C[C@H]32)C1 ZINC001076594154 815316308 /nfs/dbraw/zinc/31/63/08/815316308.db2.gz IZEZGGDDYBLMGG-MJBXVCDLSA-N 2 2 299.390 0.209 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]C[C@@H]1CCOC1 ZINC001265829557 809867046 /nfs/dbraw/zinc/86/70/46/809867046.db2.gz CSUWFFDGBYFIOP-QWRGUYRKSA-N 2 2 266.345 0.083 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]C[C@@H]1CCOC1 ZINC001265843783 809872325 /nfs/dbraw/zinc/87/23/25/809872325.db2.gz NGUJTLQBHXCILQ-QWRGUYRKSA-N 2 2 266.345 0.083 20 0 CCADLP COC[C@@H](C)[NH2+][C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001265844041 809873561 /nfs/dbraw/zinc/87/35/61/809873561.db2.gz RSIFEZIUDUGHKP-NXEZZACHSA-N 2 2 254.334 0.081 20 0 CCADLP COCCCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001265932789 809897056 /nfs/dbraw/zinc/89/70/56/809897056.db2.gz XGFGYHFJKHHXBY-ZDUSSCGKSA-N 2 2 294.399 0.959 20 0 CCADLP Cn1nccc1C[N@H+](C)CCCNC(=O)Cn1cc[nH+]c1 ZINC001265983974 809912410 /nfs/dbraw/zinc/91/24/10/809912410.db2.gz HLWUTBZCCISLTR-UHFFFAOYSA-N 2 2 290.371 0.255 20 0 CCADLP Cn1nccc1C[N@@H+](C)CCCNC(=O)Cn1cc[nH+]c1 ZINC001265983974 809912414 /nfs/dbraw/zinc/91/24/14/809912414.db2.gz HLWUTBZCCISLTR-UHFFFAOYSA-N 2 2 290.371 0.255 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C[C@@H]([NH3+])C(F)F)C1 ZINC000724735177 809988975 /nfs/dbraw/zinc/98/89/75/809988975.db2.gz RBVQZEBOMJSBKT-IVZWLZJFSA-N 2 2 263.332 0.958 20 0 CCADLP CN(CC[NH2+]CC[C@H]1CCOC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001267445976 811310515 /nfs/dbraw/zinc/31/05/15/811310515.db2.gz KCHVDNBIJYLIPE-LBPRGKRZSA-N 2 2 280.372 0.427 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Oc2cccc(C[NH3+])c2)C[N@@H+]1C ZINC001218343596 811511204 /nfs/dbraw/zinc/51/12/04/811511204.db2.gz IGKSJFDLJZLVKI-OLZOCXBDSA-N 2 2 264.325 0.770 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Oc2cccc(C[NH3+])c2)C[N@H+]1C ZINC001218343596 811511208 /nfs/dbraw/zinc/51/12/08/811511208.db2.gz IGKSJFDLJZLVKI-OLZOCXBDSA-N 2 2 264.325 0.770 20 0 CCADLP O=S1(=O)CC[C@@H](CF)C12C[NH+](CC1CC[NH2+]CC1)C2 ZINC001207439384 811558768 /nfs/dbraw/zinc/55/87/68/811558768.db2.gz RBCVBSHMCBVIDT-LBPRGKRZSA-N 2 2 290.404 0.445 20 0 CCADLP C[NH+]1CCN(c2ccccc2C[N@@H+]2C[C@@H](O)[C@@H](F)C2)CC1 ZINC001140970865 811587299 /nfs/dbraw/zinc/58/72/99/811587299.db2.gz XBSIHKWOCULDNY-GOEBONIOSA-N 2 2 293.386 0.953 20 0 CCADLP C[NH+]1CCN(c2ccccc2C[N@H+]2C[C@@H](O)[C@@H](F)C2)CC1 ZINC001140970865 811587303 /nfs/dbraw/zinc/58/73/03/811587303.db2.gz XBSIHKWOCULDNY-GOEBONIOSA-N 2 2 293.386 0.953 20 0 CCADLP O=C(NC[C@H]1CC[N@H+]1CCCO)[C@H]1CCCc2[nH+]ccn21 ZINC001038345140 811670301 /nfs/dbraw/zinc/67/03/01/811670301.db2.gz JKQPPSDHJDFUKE-CHWSQXEVSA-N 2 2 292.383 0.333 20 0 CCADLP O=C(NC[C@H]1CC[N@@H+]1CCCO)[C@H]1CCCc2[nH+]ccn21 ZINC001038345140 811670304 /nfs/dbraw/zinc/67/03/04/811670304.db2.gz JKQPPSDHJDFUKE-CHWSQXEVSA-N 2 2 292.383 0.333 20 0 CCADLP c1cnn(CCCN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c1 ZINC001222492162 811922494 /nfs/dbraw/zinc/92/24/94/811922494.db2.gz POBLPANGLHEGMR-KBPBESRZSA-N 2 2 263.389 0.299 20 0 CCADLP Cn1c[nH+]cc1-c1cccc(-n2nnc(CC[NH3+])n2)c1 ZINC001167792018 812077516 /nfs/dbraw/zinc/07/75/16/812077516.db2.gz QEEBRNBHJOLBOM-UHFFFAOYSA-N 2 2 269.312 0.564 20 0 CCADLP C[C@@H](C[NH2+]CC[C@H]1CCOC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001268091115 812232665 /nfs/dbraw/zinc/23/26/65/812232665.db2.gz AHSNMYQJQDTKJN-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H](C[NH2+]CCn1cccn1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001268098274 812258131 /nfs/dbraw/zinc/25/81/31/812258131.db2.gz PEZGXXGXMPTJRL-CYBMUJFWSA-N 2 2 290.371 0.216 20 0 CCADLP CC[C@H](C)C[NH2+]C[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001268326342 812489107 /nfs/dbraw/zinc/48/91/07/812489107.db2.gz LHOVHEMVEYSGAV-QWRGUYRKSA-N 2 2 268.361 0.065 20 0 CCADLP CCC[N@H+](C[C@H](O)COCCOC)[C@H]1CC[NH2+]C1 ZINC000300264033 812526413 /nfs/dbraw/zinc/52/64/13/812526413.db2.gz ZCNMWQNLBCKUCO-STQMWFEESA-N 2 2 260.378 0.084 20 0 CCADLP CCC[N@@H+](C[C@H](O)COCCOC)[C@H]1CC[NH2+]C1 ZINC000300264033 812526417 /nfs/dbraw/zinc/52/64/17/812526417.db2.gz ZCNMWQNLBCKUCO-STQMWFEESA-N 2 2 260.378 0.084 20 0 CCADLP C[C@H](O)CCC[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001268432690 812565619 /nfs/dbraw/zinc/56/56/19/812565619.db2.gz HTWXDDMUWJHDLQ-WCQYABFASA-N 2 2 269.389 0.042 20 0 CCADLP C[C@H](O)CCC[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001268432690 812565625 /nfs/dbraw/zinc/56/56/25/812565625.db2.gz HTWXDDMUWJHDLQ-WCQYABFASA-N 2 2 269.389 0.042 20 0 CCADLP CN(C)C(=O)c1cc(NC(=[NH2+])SCC[NH3+])cnc1F ZINC001167914889 812599847 /nfs/dbraw/zinc/59/98/47/812599847.db2.gz BFCXFLGLXKTYGB-UHFFFAOYSA-N 2 2 285.348 0.961 20 0 CCADLP CCN(CC[NH2+]C[C@@H](C)O)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001268459754 812603378 /nfs/dbraw/zinc/60/33/78/812603378.db2.gz HITSTPVLASNUIY-OLZOCXBDSA-N 2 2 294.399 0.264 20 0 CCADLP COc1c(F)cccc1-c1noc([C@H]2C[NH2+]C[C@@H]2[NH3+])n1 ZINC001211755510 812670520 /nfs/dbraw/zinc/67/05/20/812670520.db2.gz QHLBUSMAUDDQEN-WPRPVWTQSA-N 2 2 278.287 0.898 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2CC[N@@H+](CCCO)[C@@H]2C1 ZINC001042384216 815564141 /nfs/dbraw/zinc/56/41/41/815564141.db2.gz JVDOIJMJFKVKKO-ZIAGYGMSSA-N 2 2 292.383 0.188 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2CC[N@H+](CCCO)[C@@H]2C1 ZINC001042384216 815564147 /nfs/dbraw/zinc/56/41/47/815564147.db2.gz JVDOIJMJFKVKKO-ZIAGYGMSSA-N 2 2 292.383 0.188 20 0 CCADLP O=C(NC[C@@H]1CC[N@@H+](CCF)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001028641369 813100516 /nfs/dbraw/zinc/10/05/16/813100516.db2.gz FJGIKLPBTWSVDE-STQMWFEESA-N 2 2 294.374 0.853 20 0 CCADLP O=C(NC[C@@H]1CC[N@H+](CCF)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001028641369 813100519 /nfs/dbraw/zinc/10/05/19/813100519.db2.gz FJGIKLPBTWSVDE-STQMWFEESA-N 2 2 294.374 0.853 20 0 CCADLP Cc1nc(NC[C@H](C)CNC(=O)CC[NH+](C)C)cc[nH+]1 ZINC001104187889 813197812 /nfs/dbraw/zinc/19/78/12/813197812.db2.gz ZAHCIGNMJWCGAY-NSHDSACASA-N 2 2 279.388 0.901 20 0 CCADLP C[C@@H](CC(=O)N(CCO)C1CC[NH+](C)CC1)n1cc[nH+]c1 ZINC000911946046 815604463 /nfs/dbraw/zinc/60/44/63/815604463.db2.gz MHWFWLFFBQYJCO-ZDUSSCGKSA-N 2 2 294.399 0.749 20 0 CCADLP C[N@H+]1C[C@H]2CN(C(=O)c3cccc4c[nH+]cn43)C[C@@H](C1)O2 ZINC001269191437 813258241 /nfs/dbraw/zinc/25/82/41/813258241.db2.gz SVBBJWVLPBZXIU-BETUJISGSA-N 2 2 286.335 0.489 20 0 CCADLP C[N@@H+]1C[C@H]2CN(C(=O)c3cccc4c[nH+]cn43)C[C@@H](C1)O2 ZINC001269191437 813258246 /nfs/dbraw/zinc/25/82/46/813258246.db2.gz SVBBJWVLPBZXIU-BETUJISGSA-N 2 2 286.335 0.489 20 0 CCADLP COCC[N@@H+]1CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001269339461 813331766 /nfs/dbraw/zinc/33/17/66/813331766.db2.gz ZTLJMPCQYHXUFU-NSHDSACASA-N 2 2 266.345 0.098 20 0 CCADLP COCC[N@H+]1CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001269339461 813331771 /nfs/dbraw/zinc/33/17/71/813331771.db2.gz ZTLJMPCQYHXUFU-NSHDSACASA-N 2 2 266.345 0.098 20 0 CCADLP C[C@@H]1C[C@@H](C[NH2+]CCNC(=O)CCc2[nH]cc[nH+]2)CCO1 ZINC001126437156 813584771 /nfs/dbraw/zinc/58/47/71/813584771.db2.gz UDPYPWDQSQZOEB-OLZOCXBDSA-N 2 2 294.399 0.863 20 0 CCADLP CCCC[C@@H]([NH2+]CCNC(=O)CCc1[nH]cc[nH+]1)C(N)=O ZINC001126447265 813628675 /nfs/dbraw/zinc/62/86/75/813628675.db2.gz BTBHYJIBGRRXCX-LLVKDONJSA-N 2 2 295.387 0.092 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]C[C@@H]1C[C@]12CCOC2 ZINC001126447277 813628782 /nfs/dbraw/zinc/62/87/82/813628782.db2.gz BTVFNZQYMBEREW-WFASDCNBSA-N 2 2 292.383 0.475 20 0 CCADLP C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1 ZINC001270609818 813834533 /nfs/dbraw/zinc/83/45/33/813834533.db2.gz MQOVIONBVMRZRA-BETUJISGSA-N 2 2 256.309 0.863 20 0 CCADLP C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1ccc2c[nH+]cn2c1 ZINC001270609818 813834542 /nfs/dbraw/zinc/83/45/42/813834542.db2.gz MQOVIONBVMRZRA-BETUJISGSA-N 2 2 256.309 0.863 20 0 CCADLP COCCCC[N@@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001270666050 813881069 /nfs/dbraw/zinc/88/10/69/813881069.db2.gz ULBWXYYAWFLPQC-OAHLLOKOSA-N 2 2 294.399 0.890 20 0 CCADLP COCCCC[N@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001270666050 813881078 /nfs/dbraw/zinc/88/10/78/813881078.db2.gz ULBWXYYAWFLPQC-OAHLLOKOSA-N 2 2 294.399 0.890 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCn1cccn1 ZINC001038102911 814086005 /nfs/dbraw/zinc/08/60/05/814086005.db2.gz FVIKOJFSUSYMHW-KGLIPLIRSA-N 2 2 291.399 0.168 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCn1cccn1 ZINC001038102911 814086014 /nfs/dbraw/zinc/08/60/14/814086014.db2.gz FVIKOJFSUSYMHW-KGLIPLIRSA-N 2 2 291.399 0.168 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCn1cccn1 ZINC001038102911 814086021 /nfs/dbraw/zinc/08/60/21/814086021.db2.gz FVIKOJFSUSYMHW-KGLIPLIRSA-N 2 2 291.399 0.168 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCn1cccn1 ZINC001038102911 814086029 /nfs/dbraw/zinc/08/60/29/814086029.db2.gz FVIKOJFSUSYMHW-KGLIPLIRSA-N 2 2 291.399 0.168 20 0 CCADLP C[NH+]1CCO[C@H]2CN(C(=O)C[C@@H]3CCC[N@@H+](C)C3)C[C@H]21 ZINC001271015218 814116050 /nfs/dbraw/zinc/11/60/50/814116050.db2.gz AMECPDRLHTWJQN-MJBXVCDLSA-N 2 2 281.400 0.260 20 0 CCADLP C[NH+]1CCO[C@H]2CN(C(=O)C[C@@H]3CCC[N@H+](C)C3)C[C@H]21 ZINC001271015218 814116055 /nfs/dbraw/zinc/11/60/55/814116055.db2.gz AMECPDRLHTWJQN-MJBXVCDLSA-N 2 2 281.400 0.260 20 0 CCADLP C[NH+]1CCC[C@@H](CC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)C1 ZINC001271015218 814116061 /nfs/dbraw/zinc/11/60/61/814116061.db2.gz AMECPDRLHTWJQN-MJBXVCDLSA-N 2 2 281.400 0.260 20 0 CCADLP C[NH+]1CCC[C@@H](CC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)C1 ZINC001271015218 814116064 /nfs/dbraw/zinc/11/60/64/814116064.db2.gz AMECPDRLHTWJQN-MJBXVCDLSA-N 2 2 281.400 0.260 20 0 CCADLP C[N@H+](CC(=O)N1CC2(CC[NH+]2C)C1)C1CCCC1 ZINC001271076882 814141231 /nfs/dbraw/zinc/14/12/31/814141231.db2.gz YHSHFVMNJPFSSJ-UHFFFAOYSA-N 2 2 251.374 0.777 20 0 CCADLP C[N@@H+](CC(=O)N1CC2(CC[NH+]2C)C1)C1CCCC1 ZINC001271076882 814141236 /nfs/dbraw/zinc/14/12/36/814141236.db2.gz YHSHFVMNJPFSSJ-UHFFFAOYSA-N 2 2 251.374 0.777 20 0 CCADLP C[NH+](CC(=O)N1CC2(CC[N@@H+]2C)C1)C1CCCC1 ZINC001271076882 814141247 /nfs/dbraw/zinc/14/12/47/814141247.db2.gz YHSHFVMNJPFSSJ-UHFFFAOYSA-N 2 2 251.374 0.777 20 0 CCADLP C[NH+](CC(=O)N1CC2(CC[N@H+]2C)C1)C1CCCC1 ZINC001271076882 814141253 /nfs/dbraw/zinc/14/12/53/814141253.db2.gz YHSHFVMNJPFSSJ-UHFFFAOYSA-N 2 2 251.374 0.777 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCO ZINC001029414425 814196250 /nfs/dbraw/zinc/19/62/50/814196250.db2.gz QYQPBIVUUAXELN-OKILXGFUSA-N 2 2 292.383 0.331 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCO ZINC001029414425 814196256 /nfs/dbraw/zinc/19/62/56/814196256.db2.gz QYQPBIVUUAXELN-OKILXGFUSA-N 2 2 292.383 0.331 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)C[NH+](Cc2cn[nH]c2)C3)C1 ZINC001271223392 814341053 /nfs/dbraw/zinc/34/10/53/814341053.db2.gz QRQNIEJIEJOMSL-CYBMUJFWSA-N 2 2 289.383 0.006 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)C[NH+](Cc2cn[nH]c2)C3)C1 ZINC001271223392 814341063 /nfs/dbraw/zinc/34/10/63/814341063.db2.gz QRQNIEJIEJOMSL-CYBMUJFWSA-N 2 2 289.383 0.006 20 0 CCADLP C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CCc1ccc(N)[nH+]c1 ZINC001271814511 814589260 /nfs/dbraw/zinc/58/92/60/814589260.db2.gz AIDASKXPEYINTJ-STQMWFEESA-N 2 2 274.368 0.901 20 0 CCADLP C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CCc1ccc(N)[nH+]c1 ZINC001271814511 814589263 /nfs/dbraw/zinc/58/92/63/814589263.db2.gz AIDASKXPEYINTJ-STQMWFEESA-N 2 2 274.368 0.901 20 0 CCADLP CC(C)[N@@H+]1CC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001271927459 814633085 /nfs/dbraw/zinc/63/30/85/814633085.db2.gz LAJKOKZWVBSDBL-XQQFMLRXSA-N 2 2 251.374 0.774 20 0 CCADLP CC(C)[N@H+]1CC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001271927459 814633091 /nfs/dbraw/zinc/63/30/91/814633091.db2.gz LAJKOKZWVBSDBL-XQQFMLRXSA-N 2 2 251.374 0.774 20 0 CCADLP CC(C)[NH+]1CC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001271927459 814633097 /nfs/dbraw/zinc/63/30/97/814633097.db2.gz LAJKOKZWVBSDBL-XQQFMLRXSA-N 2 2 251.374 0.774 20 0 CCADLP CC(C)[NH+]1CC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001271927459 814633100 /nfs/dbraw/zinc/63/31/00/814633100.db2.gz LAJKOKZWVBSDBL-XQQFMLRXSA-N 2 2 251.374 0.774 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCN(CC[NH+]3CCOCC3)CC2)CCO1 ZINC001168127859 814704227 /nfs/dbraw/zinc/70/42/27/814704227.db2.gz JJRBXVUAHCRJEQ-CVEARBPZSA-N 2 2 297.443 0.504 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001030400596 816015056 /nfs/dbraw/zinc/01/50/56/816015056.db2.gz BGKDNYBTIQAIPE-WCQYABFASA-N 2 2 269.389 0.042 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001030400596 816015062 /nfs/dbraw/zinc/01/50/62/816015062.db2.gz BGKDNYBTIQAIPE-WCQYABFASA-N 2 2 269.389 0.042 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC1C[NH+](CCO)C1 ZINC001030444802 816042327 /nfs/dbraw/zinc/04/23/27/816042327.db2.gz NLABHXPZVJGTBP-ZDUSSCGKSA-N 2 2 269.389 0.042 20 0 CCADLP CC(C)[N@H+]1CCC[C@H]1CC(=O)NC1C[NH+](CCO)C1 ZINC001030444802 816042337 /nfs/dbraw/zinc/04/23/37/816042337.db2.gz NLABHXPZVJGTBP-ZDUSSCGKSA-N 2 2 269.389 0.042 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2C[NH+](CCC(C)(C)C)C2)O1 ZINC001030515246 816079602 /nfs/dbraw/zinc/07/96/02/816079602.db2.gz OJQBCIYSDWEKKI-TZMCWYRMSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2C[NH+](CCC(C)(C)C)C2)O1 ZINC001030515246 816079608 /nfs/dbraw/zinc/07/96/08/816079608.db2.gz OJQBCIYSDWEKKI-TZMCWYRMSA-N 2 2 297.443 0.942 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CC2CC2)C1 ZINC001030534992 816092747 /nfs/dbraw/zinc/09/27/47/816092747.db2.gz JKHKASOOFSBKCG-CYBMUJFWSA-N 2 2 251.374 0.681 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CC2CC2)C1 ZINC001030534992 816092754 /nfs/dbraw/zinc/09/27/54/816092754.db2.gz JKHKASOOFSBKCG-CYBMUJFWSA-N 2 2 251.374 0.681 20 0 CCADLP CC[NH+]1CC(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001030661368 816192988 /nfs/dbraw/zinc/19/29/88/816192988.db2.gz XSAXQQZERAENAC-UHFFFAOYSA-N 2 2 271.324 0.701 20 0 CCADLP O=C(NC1C[NH+](CCCF)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001030705560 816240299 /nfs/dbraw/zinc/24/02/99/816240299.db2.gz DXUHCJAKUYHNNL-GLWUULTISA-N 2 2 297.374 0.010 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CCF ZINC001272323413 816312527 /nfs/dbraw/zinc/31/25/27/816312527.db2.gz PVQRHZNRHYCIKU-AAEUAGOBSA-N 2 2 282.363 0.807 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC001121942719 816493827 /nfs/dbraw/zinc/49/38/27/816493827.db2.gz CCYCFXWDNIQTDE-RYUDHWBXSA-N 2 2 262.357 0.800 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001030955105 816496483 /nfs/dbraw/zinc/49/64/83/816496483.db2.gz DNWWXQGUMFYITD-NWDGAFQWSA-N 2 2 269.389 0.306 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001030955105 816496489 /nfs/dbraw/zinc/49/64/89/816496489.db2.gz DNWWXQGUMFYITD-NWDGAFQWSA-N 2 2 269.389 0.306 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H](O)C[NH2+]CCC1CCCC1 ZINC001272592150 816740358 /nfs/dbraw/zinc/74/03/58/816740358.db2.gz MJQVGYHXBBUNRE-CQSZACIVSA-N 2 2 294.399 0.530 20 0 CCADLP COc1ccccc1C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235051599 816795790 /nfs/dbraw/zinc/79/57/90/816795790.db2.gz KFZSAWCJZLMVNW-OAHLLOKOSA-N 2 2 261.369 0.833 20 0 CCADLP COc1ccccc1C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235051599 816795798 /nfs/dbraw/zinc/79/57/98/816795798.db2.gz KFZSAWCJZLMVNW-OAHLLOKOSA-N 2 2 261.369 0.833 20 0 CCADLP C[N@@H+]1CC[C@H](CC(=O)NC2C[NH+](C[C@@H]3CCCCO3)C2)C1 ZINC001031260552 816909945 /nfs/dbraw/zinc/90/99/45/816909945.db2.gz QWQYEVBYLXVNPA-HIFRSBDPSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CC[C@H](CC(=O)NC2C[NH+](C[C@@H]3CCCCO3)C2)C1 ZINC001031260552 816909950 /nfs/dbraw/zinc/90/99/50/816909950.db2.gz QWQYEVBYLXVNPA-HIFRSBDPSA-N 2 2 295.427 0.698 20 0 CCADLP O=C(NCC[NH2+]Cc1cnsn1)[C@H]1C[NH+]2CCC1CC2 ZINC001127474823 817147492 /nfs/dbraw/zinc/14/74/92/817147492.db2.gz PGPFOFGCJFLMOU-LBPRGKRZSA-N 2 2 295.412 0.086 20 0 CCADLP CC[C@@H](F)C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001031597127 817173021 /nfs/dbraw/zinc/17/30/21/817173021.db2.gz UVINAKCBSHEUJG-CHWSQXEVSA-N 2 2 287.379 0.113 20 0 CCADLP CC[C@@H](F)C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001031597127 817173022 /nfs/dbraw/zinc/17/30/22/817173022.db2.gz UVINAKCBSHEUJG-CHWSQXEVSA-N 2 2 287.379 0.113 20 0 CCADLP O=C(NCC1C[NH+](CCF)C1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001031668727 817232094 /nfs/dbraw/zinc/23/20/94/817232094.db2.gz MZSDFOXGNWHJAG-ZIAGYGMSSA-N 2 2 283.391 0.878 20 0 CCADLP O=C(NCC1C[NH+](CCF)C1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001031668727 817232099 /nfs/dbraw/zinc/23/20/99/817232099.db2.gz MZSDFOXGNWHJAG-ZIAGYGMSSA-N 2 2 283.391 0.878 20 0 CCADLP CC[NH+]1CC(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC001032098148 817628344 /nfs/dbraw/zinc/62/83/44/817628344.db2.gz JLEREQKZOYQGRE-UHFFFAOYSA-N 2 2 285.351 0.949 20 0 CCADLP CCOCC[NH2+]CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001127779931 817859798 /nfs/dbraw/zinc/85/97/98/817859798.db2.gz TWYFDHPTFTWQDA-UHFFFAOYSA-N 2 2 294.399 0.504 20 0 CCADLP COc1ncnc(C)c1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168736528 818546047 /nfs/dbraw/zinc/54/60/47/818546047.db2.gz IFZIFLNAUVXNKF-UHFFFAOYSA-N 2 2 264.333 0.388 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2nnc(Cl)nc2Cl)CC1 ZINC001168736361 818546357 /nfs/dbraw/zinc/54/63/57/818546357.db2.gz KZUMHPWPYRIRSP-UHFFFAOYSA-N 2 2 290.158 0.772 20 0 CCADLP CN(C)C(=O)c1cncc(NC(=[NH2+])N2CC[NH+](C)CC2)c1 ZINC001168736540 818547602 /nfs/dbraw/zinc/54/76/02/818547602.db2.gz IKQDWNKNSGUBOL-UHFFFAOYSA-N 2 2 290.371 0.377 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cc3c(nn2)CCCC3)CC1 ZINC001168737124 818557595 /nfs/dbraw/zinc/55/75/95/818557595.db2.gz VTFIVHWKNUMSHI-UHFFFAOYSA-N 2 2 274.372 0.949 20 0 CCADLP COc1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)c(C)n1 ZINC001168737460 818563141 /nfs/dbraw/zinc/56/31/41/818563141.db2.gz YEDOZQLKMXIHQH-UHFFFAOYSA-N 2 2 263.345 0.993 20 0 CCADLP C[C@H](CC[NH2+]Cc1ccn(C)n1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001273091565 818593097 /nfs/dbraw/zinc/59/30/97/818593097.db2.gz VAAUBCSGDABAPE-LLVKDONJSA-N 2 2 290.371 0.370 20 0 CCADLP COc1nc(C)ccc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168741277 818611403 /nfs/dbraw/zinc/61/14/03/818611403.db2.gz VTINBQQVYKXOPM-UHFFFAOYSA-N 2 2 263.345 0.993 20 0 CCADLP CO[C@@H](C)C[NH2+]CC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001273122935 818680653 /nfs/dbraw/zinc/68/06/53/818680653.db2.gz KBSGCYXUCTWIJD-RYUDHWBXSA-N 2 2 282.388 0.482 20 0 CCADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CCO)C1 ZINC001033587032 818841349 /nfs/dbraw/zinc/84/13/49/818841349.db2.gz DHNZXLMEJHEGAV-LLVKDONJSA-N 2 2 280.372 0.212 20 0 CCADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033587032 818841352 /nfs/dbraw/zinc/84/13/52/818841352.db2.gz DHNZXLMEJHEGAV-LLVKDONJSA-N 2 2 280.372 0.212 20 0 CCADLP CCC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033708007 818893643 /nfs/dbraw/zinc/89/36/43/818893643.db2.gz XFWBQUGEILFCDP-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP CCC[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033708007 818893649 /nfs/dbraw/zinc/89/36/49/818893649.db2.gz XFWBQUGEILFCDP-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP CC[N@@H+]1CCO[C@](C)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001108107935 818913665 /nfs/dbraw/zinc/91/36/65/818913665.db2.gz JZYIVQUXKFXOEV-CQSZACIVSA-N 2 2 280.372 0.500 20 0 CCADLP CC[N@H+]1CCO[C@](C)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001108107935 818913668 /nfs/dbraw/zinc/91/36/68/818913668.db2.gz JZYIVQUXKFXOEV-CQSZACIVSA-N 2 2 280.372 0.500 20 0 CCADLP C[S@](=O)CC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702564308 819145224 /nfs/dbraw/zinc/14/52/24/819145224.db2.gz WDOOHDQDPCMGET-QRWLVFNGSA-N 2 2 296.436 0.592 20 0 CCADLP C[S@](=O)CC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702564308 819145229 /nfs/dbraw/zinc/14/52/29/819145229.db2.gz WDOOHDQDPCMGET-QRWLVFNGSA-N 2 2 296.436 0.592 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1CC([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C2 ZINC000702593714 819147879 /nfs/dbraw/zinc/14/78/79/819147879.db2.gz NOKJXCPBBSOGOL-GSPSYOTPSA-N 3 2 253.390 0.268 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1CC([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C2 ZINC000702593714 819147885 /nfs/dbraw/zinc/14/78/85/819147885.db2.gz NOKJXCPBBSOGOL-GSPSYOTPSA-N 3 2 253.390 0.268 20 0 CCADLP C[NH+]1CC[C@](O)(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000702593714 819147889 /nfs/dbraw/zinc/14/78/89/819147889.db2.gz NOKJXCPBBSOGOL-GSPSYOTPSA-N 3 2 253.390 0.268 20 0 CCADLP C[NH+]1CC[C@](O)(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000702593714 819147892 /nfs/dbraw/zinc/14/78/92/819147892.db2.gz NOKJXCPBBSOGOL-GSPSYOTPSA-N 3 2 253.390 0.268 20 0 CCADLP C[C@]1(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)CCC[NH2+]C1 ZINC000703127305 819232118 /nfs/dbraw/zinc/23/21/18/819232118.db2.gz UOQPYBLOTRHWHA-ZDUSSCGKSA-N 2 2 289.445 0.343 20 0 CCADLP C[C@]1(C[N@H+]2CCCN(S(C)(=O)=O)CC2)CCC[NH2+]C1 ZINC000703127305 819232125 /nfs/dbraw/zinc/23/21/25/819232125.db2.gz UOQPYBLOTRHWHA-ZDUSSCGKSA-N 2 2 289.445 0.343 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+]CCC1CCOCC1 ZINC001128967275 819236320 /nfs/dbraw/zinc/23/63/20/819236320.db2.gz JCSOECYXEGWJCR-UHFFFAOYSA-N 2 2 294.399 0.865 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC[NH2+]CCC1CCOCC1 ZINC001128967275 819236327 /nfs/dbraw/zinc/23/63/27/819236327.db2.gz JCSOECYXEGWJCR-UHFFFAOYSA-N 2 2 294.399 0.865 20 0 CCADLP COC[C@@H](C)[N@@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034549178 819241036 /nfs/dbraw/zinc/24/10/36/819241036.db2.gz JGFJMHMCRLJFKH-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP COC[C@@H](C)[N@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034549178 819241042 /nfs/dbraw/zinc/24/10/42/819241042.db2.gz JGFJMHMCRLJFKH-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP CC[NH+](CC)CC(=O)NCCC[NH2+][C@@H](C)c1noc(C)n1 ZINC001168755719 819286268 /nfs/dbraw/zinc/28/62/68/819286268.db2.gz QVNHGUYOSCILAC-NSHDSACASA-N 2 2 297.403 0.877 20 0 CCADLP Cn1nc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1Cl ZINC000706150521 819614905 /nfs/dbraw/zinc/61/49/05/819614905.db2.gz CKSKVUJEVFUVDE-SNVBAGLBSA-N 2 2 299.806 0.360 20 0 CCADLP Cn1nc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1Cl ZINC000706150521 819614910 /nfs/dbraw/zinc/61/49/10/819614910.db2.gz CKSKVUJEVFUVDE-SNVBAGLBSA-N 2 2 299.806 0.360 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001036204315 819704791 /nfs/dbraw/zinc/70/47/91/819704791.db2.gz JJRCCXWIZUCAPV-JQWIXIFHSA-N 2 2 250.346 0.799 20 0 CCADLP C[NH+](C)CCCOc1ccc(-n2[nH]c(=O)nc2C[NH3+])cn1 ZINC001168761474 819888451 /nfs/dbraw/zinc/88/84/51/819888451.db2.gz QJEDXLNSEDOROR-UHFFFAOYSA-N 2 2 292.343 0.157 20 0 CCADLP C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000711676256 820069810 /nfs/dbraw/zinc/06/98/10/820069810.db2.gz SVVQJMXYSOUOLJ-LPWJVIDDSA-N 2 2 272.414 0.636 20 0 CCADLP C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000711676256 820069818 /nfs/dbraw/zinc/06/98/18/820069818.db2.gz SVVQJMXYSOUOLJ-LPWJVIDDSA-N 2 2 272.414 0.636 20 0 CCADLP C[NH+](C)C=Cc1ccncc1-n1[nH]c(=O)nc1C[NH3+] ZINC001168763506 820147937 /nfs/dbraw/zinc/14/79/37/820147937.db2.gz WYKBOWAGOCOMRE-GQCTYLIASA-N 2 2 260.301 0.359 20 0 CCADLP C[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001080442989 820578864 /nfs/dbraw/zinc/57/88/64/820578864.db2.gz VTCXIUHSWGLDNY-JHJVBQTASA-N 2 2 271.380 0.877 20 0 CCADLP C[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)C[NH+]1CCC[C@H]1C ZINC001080442989 820578868 /nfs/dbraw/zinc/57/88/68/820578868.db2.gz VTCXIUHSWGLDNY-JHJVBQTASA-N 2 2 271.380 0.877 20 0 CCADLP C[C@@H]1C[NH+](CCF)C[C@H]1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001080442989 820578871 /nfs/dbraw/zinc/57/88/71/820578871.db2.gz VTCXIUHSWGLDNY-JHJVBQTASA-N 2 2 271.380 0.877 20 0 CCADLP C[C@@H]1C[NH+](CCF)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001080442989 820578876 /nfs/dbraw/zinc/57/88/76/820578876.db2.gz VTCXIUHSWGLDNY-JHJVBQTASA-N 2 2 271.380 0.877 20 0 CCADLP CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](OC)C1 ZINC001081844225 820854143 /nfs/dbraw/zinc/85/41/43/820854143.db2.gz FOFXUHAXPGFFEO-CHWSQXEVSA-N 2 2 294.399 0.762 20 0 CCADLP CC[N@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H](OC)C1 ZINC001081844225 820854151 /nfs/dbraw/zinc/85/41/51/820854151.db2.gz FOFXUHAXPGFFEO-CHWSQXEVSA-N 2 2 294.399 0.762 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001082659169 821014587 /nfs/dbraw/zinc/01/45/87/821014587.db2.gz XKQAJPDTSJACIR-JHJVBQTASA-N 2 2 294.399 0.170 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCO)C1 ZINC001082795549 821034494 /nfs/dbraw/zinc/03/44/94/821034494.db2.gz AQTSFBHKJUITMV-NQBHXWOUSA-N 2 2 280.372 0.017 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCO)C1 ZINC001082795549 821034505 /nfs/dbraw/zinc/03/45/05/821034505.db2.gz AQTSFBHKJUITMV-NQBHXWOUSA-N 2 2 280.372 0.017 20 0 CCADLP Cc1c[nH+]c(N2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)nc1N1CCCC1 ZINC001165380430 821057379 /nfs/dbraw/zinc/05/73/79/821057379.db2.gz AFMYVSPWGJHLNR-ZSBIGDGJSA-N 2 2 259.357 0.779 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](CCCF)C[C@H]32)C1 ZINC001084251731 821242445 /nfs/dbraw/zinc/24/24/45/821242445.db2.gz YYZAZYZAIQVGLL-MGPQQGTHSA-N 2 2 299.390 0.209 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3CC[NH+](CCCF)C[C@H]32)C1 ZINC001084251731 821242449 /nfs/dbraw/zinc/24/24/49/821242449.db2.gz YYZAZYZAIQVGLL-MGPQQGTHSA-N 2 2 299.390 0.209 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@H+](CCCF)C[C@H]32)C1 ZINC001084251731 821242454 /nfs/dbraw/zinc/24/24/54/821242454.db2.gz YYZAZYZAIQVGLL-MGPQQGTHSA-N 2 2 299.390 0.209 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CCCF)C[C@H]32)C1 ZINC001084251731 821242457 /nfs/dbraw/zinc/24/24/57/821242457.db2.gz YYZAZYZAIQVGLL-MGPQQGTHSA-N 2 2 299.390 0.209 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1C[C@H]2CC[N@@H+](CCCO)C[C@H]21 ZINC001084561240 821315232 /nfs/dbraw/zinc/31/52/32/821315232.db2.gz ZOJVAKWUPUFFIZ-ZIAGYGMSSA-N 2 2 292.383 0.188 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1C[C@H]2CC[N@H+](CCCO)C[C@H]21 ZINC001084561240 821315243 /nfs/dbraw/zinc/31/52/43/821315243.db2.gz ZOJVAKWUPUFFIZ-ZIAGYGMSSA-N 2 2 292.383 0.188 20 0 CCADLP CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001084776176 821386744 /nfs/dbraw/zinc/38/67/44/821386744.db2.gz MVBYRSLMZHJJIY-TZMCWYRMSA-N 2 2 276.384 0.905 20 0 CCADLP CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001084776176 821386755 /nfs/dbraw/zinc/38/67/55/821386755.db2.gz MVBYRSLMZHJJIY-TZMCWYRMSA-N 2 2 276.384 0.905 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]CCF ZINC001085374735 821672877 /nfs/dbraw/zinc/67/28/77/821672877.db2.gz GQTCGJISXOMQKS-GHMZBOCLSA-N 2 2 268.336 0.939 20 0 CCADLP C[N@@H+]1CCO[C@@]2(CCCN(C(=O)C[NH+]3CCC3)C2)C1 ZINC001273363250 821957713 /nfs/dbraw/zinc/95/77/13/821957713.db2.gz LGFTYFHSKDDZCQ-AWEZNQCLSA-N 2 2 267.373 0.015 20 0 CCADLP C[N@H+]1CCO[C@@]2(CCCN(C(=O)C[NH+]3CCC3)C2)C1 ZINC001273363250 821957719 /nfs/dbraw/zinc/95/77/19/821957719.db2.gz LGFTYFHSKDDZCQ-AWEZNQCLSA-N 2 2 267.373 0.015 20 0 CCADLP c1[nH+]cn(-c2cc(C3C[NH2+]C3)ncn2)c1C1CC[NH2+]CC1 ZINC001155063030 821993583 /nfs/dbraw/zinc/99/35/83/821993583.db2.gz KKXHKXQXZOHQPJ-UHFFFAOYSA-N 3 2 284.367 0.816 20 0 CCADLP CN(C[C@H]1CC[N@@H+]1CCF)C(=O)[C@H]1CC[NH+](C)C1 ZINC001085968813 822044916 /nfs/dbraw/zinc/04/49/16/822044916.db2.gz PVWBTBNHGWCHKE-NWDGAFQWSA-N 2 2 257.353 0.440 20 0 CCADLP CN(C[C@H]1CC[N@H+]1CCF)C(=O)[C@H]1CC[NH+](C)C1 ZINC001085968813 822044925 /nfs/dbraw/zinc/04/49/25/822044925.db2.gz PVWBTBNHGWCHKE-NWDGAFQWSA-N 2 2 257.353 0.440 20 0 CCADLP CN(C[C@H]1CC[NH+]1CCF)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001085968813 822044932 /nfs/dbraw/zinc/04/49/32/822044932.db2.gz PVWBTBNHGWCHKE-NWDGAFQWSA-N 2 2 257.353 0.440 20 0 CCADLP CN(C[C@H]1CC[NH+]1CCF)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001085968813 822044941 /nfs/dbraw/zinc/04/49/41/822044941.db2.gz PVWBTBNHGWCHKE-NWDGAFQWSA-N 2 2 257.353 0.440 20 0 CCADLP O=C(NCC[NH+]1CC2(COC2)C1)c1cccc2c[nH+]cn21 ZINC001155799585 822251877 /nfs/dbraw/zinc/25/18/77/822251877.db2.gz LKSJBTAZGQFNFC-UHFFFAOYSA-N 2 2 286.335 0.396 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)[C@H](C2CC2)[NH+](C)C)o1 ZINC001129436002 837508529 /nfs/dbraw/zinc/50/85/29/837508529.db2.gz KZTDJIXLZZZDLR-ZDUSSCGKSA-N 2 2 280.372 0.529 20 0 CCADLP C[NH+](C)[C@@H](C(=O)NCC[NH2+]Cc1cnsn1)C1CC1 ZINC001129436494 837511978 /nfs/dbraw/zinc/51/19/78/837511978.db2.gz PTXYLXRCZSAUBD-LLVKDONJSA-N 2 2 283.401 0.084 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(CC[NH+]3C[C@H]4CC[C@@H](C3)O4)C[C@@H]21 ZINC001170460452 837554593 /nfs/dbraw/zinc/55/45/93/837554593.db2.gz PSJRKTLLQBGYHQ-KBXIAJHMSA-N 2 2 265.401 0.486 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(CC[NH+]3C[C@H]4CC[C@@H](C3)O4)C[C@@H]21 ZINC001170460452 837554599 /nfs/dbraw/zinc/55/45/99/837554599.db2.gz PSJRKTLLQBGYHQ-KBXIAJHMSA-N 2 2 265.401 0.486 20 0 CCADLP C[NH+]1CC[C@@H]2CN(CC[N@H+]3C[C@H]4CC[C@@H](C3)O4)C[C@@H]21 ZINC001170460452 837554608 /nfs/dbraw/zinc/55/46/08/837554608.db2.gz PSJRKTLLQBGYHQ-KBXIAJHMSA-N 2 2 265.401 0.486 20 0 CCADLP C[NH+]1CC[C@@H]2CN(CC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)C[C@@H]21 ZINC001170460452 837554622 /nfs/dbraw/zinc/55/46/22/837554622.db2.gz PSJRKTLLQBGYHQ-KBXIAJHMSA-N 2 2 265.401 0.486 20 0 CCADLP CC(C)COCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129891432 837576030 /nfs/dbraw/zinc/57/60/30/837576030.db2.gz LVKNZSWAXGJRLJ-CHWSQXEVSA-N 2 2 294.399 0.892 20 0 CCADLP CC(C)COCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129891432 837576034 /nfs/dbraw/zinc/57/60/34/837576034.db2.gz LVKNZSWAXGJRLJ-CHWSQXEVSA-N 2 2 294.399 0.892 20 0 CCADLP CC[C@H](C(=O)NCC[NH2+][C@H](C)c1csnn1)[NH+](C)C ZINC001130203576 837725499 /nfs/dbraw/zinc/72/54/99/837725499.db2.gz QBJCPLZVLTXXBF-MWLCHTKSSA-N 2 2 285.417 0.645 20 0 CCADLP CC[C@H](C(=O)NCC[NH2+][C@H](C)c1nc(C)no1)[NH+](C)C ZINC001130201054 837731312 /nfs/dbraw/zinc/73/13/12/837731312.db2.gz TWDWMSSWDUJUIM-MWLCHTKSSA-N 2 2 283.376 0.485 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1csnn1 ZINC001130297988 837755564 /nfs/dbraw/zinc/75/55/64/837755564.db2.gz UYASSXXNYAHLLG-LLVKDONJSA-N 2 2 283.401 0.228 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1csnn1 ZINC001130297988 837755569 /nfs/dbraw/zinc/75/55/69/837755569.db2.gz UYASSXXNYAHLLG-LLVKDONJSA-N 2 2 283.401 0.228 20 0 CCADLP COCCC[NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130403748 837786224 /nfs/dbraw/zinc/78/62/24/837786224.db2.gz BNTPCQVUYQWOIG-LBPRGKRZSA-N 2 2 280.372 0.188 20 0 CCADLP C[C@@]1(CF)CC(F)(F)CN1C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001157952099 837786445 /nfs/dbraw/zinc/78/64/45/837786445.db2.gz MIBIDHXROHCBSY-KOLCDFICSA-N 2 2 290.289 0.875 20 0 CCADLP O=C(NCC[NH2+]C[C@@H]1CCOC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001130406932 837786523 /nfs/dbraw/zinc/78/65/23/837786523.db2.gz HWTGHPAZUDLZFG-STQMWFEESA-N 2 2 292.383 0.188 20 0 CCADLP O=C(NCC[NH2+]C/C=C\Cl)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130480986 837806118 /nfs/dbraw/zinc/80/61/18/837806118.db2.gz IATITWNPLSIACJ-PNDGHQIGSA-N 2 2 282.775 0.904 20 0 CCADLP C[NH+](C)C[C@@H]1COCCN1C(=O)CCc1ccc(N)[nH+]c1 ZINC001183933397 844112783 /nfs/dbraw/zinc/11/27/83/844112783.db2.gz LICHSFHPBNLETI-CYBMUJFWSA-N 2 2 292.383 0.385 20 0 CCADLP Cc1nc(-n2ccnc2)cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169072954 836125677 /nfs/dbraw/zinc/12/56/77/836125677.db2.gz VNEXYWLSMPJZBV-LLVKDONJSA-N 2 2 299.338 0.019 20 0 CCADLP CN1Cc2c(cccc2-n2c[nH+]cc2C[C@@H]([NH3+])CO)C1=O ZINC001169073933 836126599 /nfs/dbraw/zinc/12/65/99/836126599.db2.gz OFANUDYVDWNOTI-SNVBAGLBSA-N 2 2 286.335 0.320 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cccc(C2COC2)c1 ZINC001169073357 836126769 /nfs/dbraw/zinc/12/67/69/836126769.db2.gz FNIMDLWHAYDUTM-CYBMUJFWSA-N 2 2 273.336 0.848 20 0 CCADLP Nc1noc2cc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)ccc12 ZINC001169073719 836127164 /nfs/dbraw/zinc/12/71/64/836127164.db2.gz ACZALBDFYBULGE-MRVPVSSYSA-N 2 2 273.296 0.458 20 0 CCADLP NC(=O)c1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c2cc[nH]c21 ZINC001169075728 836128904 /nfs/dbraw/zinc/12/89/04/836128904.db2.gz WJWJVVNQZPIORC-SECBINFHSA-N 2 2 299.334 0.315 20 0 CCADLP CC[NH+]1CCC([NH+]2CC3(C2)CCOC[C@H]3C(=O)OC)CC1 ZINC001169263951 836170519 /nfs/dbraw/zinc/17/05/19/836170519.db2.gz DJAKGAPKFIFIRI-AWEZNQCLSA-N 2 2 296.411 0.982 20 0 CCADLP CC[NH+]1CCC([N@@H+]2CC[C@H](O)[C@](C)(CO)C2)CC1 ZINC001169246201 836174030 /nfs/dbraw/zinc/17/40/30/836174030.db2.gz PKHWHLLPOMDHSG-KBPBESRZSA-N 2 2 256.390 0.536 20 0 CCADLP CC[NH+]1CCC([N@H+]2CC[C@H](O)[C@](C)(CO)C2)CC1 ZINC001169246201 836174034 /nfs/dbraw/zinc/17/40/34/836174034.db2.gz PKHWHLLPOMDHSG-KBPBESRZSA-N 2 2 256.390 0.536 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)CCCC[NH+](C)C)c1 ZINC001184059559 844148931 /nfs/dbraw/zinc/14/89/31/844148931.db2.gz KTPWURCLXLJKSN-UHFFFAOYSA-N 2 2 252.362 0.811 20 0 CCADLP CC[C@@H](C(=O)N1CC[NH+](CCOCC2CC2)CC1)[NH+](C)C ZINC001113352918 837102696 /nfs/dbraw/zinc/10/26/96/837102696.db2.gz CWZIZMAQCQGPNE-HNNXBMFYSA-N 2 2 297.443 0.897 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CC[NH+]([C@H](C)COC)CC1 ZINC001113570542 837162264 /nfs/dbraw/zinc/16/22/64/837162264.db2.gz XVPGLYQYLPLOHE-CYBMUJFWSA-N 2 2 271.405 0.507 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[NH+]([C@H](C)COC)CC1 ZINC001113570542 837162266 /nfs/dbraw/zinc/16/22/66/837162266.db2.gz XVPGLYQYLPLOHE-CYBMUJFWSA-N 2 2 271.405 0.507 20 0 CCADLP COCCC[NH+]1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001113723475 837205773 /nfs/dbraw/zinc/20/57/73/837205773.db2.gz VOQGOJRBIGVRKT-UHFFFAOYSA-N 2 2 294.399 0.844 20 0 CCADLP [NH3+]C[C@]1(F)CCCN(C(=O)[C@H]2C[NH2+]CC(F)(F)C2)CC1 ZINC001157741536 837363621 /nfs/dbraw/zinc/36/36/21/837363621.db2.gz ZBUUUEKDKSIUOH-PWSUYJOCSA-N 2 2 293.333 0.911 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1cnc(C)cn1 ZINC001131387140 838077192 /nfs/dbraw/zinc/07/71/92/838077192.db2.gz CMSAMZHUMUYAIL-UHFFFAOYSA-N 2 2 288.355 0.196 20 0 CCADLP C[C@H](Nc1ccc2c([nH+]1)CCOC2)[C@@H]1C[NH2+]CCO1 ZINC001170561895 838103124 /nfs/dbraw/zinc/10/31/24/838103124.db2.gz GVYIKWDCNDZOFD-GWCFXTLKSA-N 2 2 263.341 0.943 20 0 CCADLP C[C@H](Nc1[nH+]cccc1N1CC[NH2+]CC1)[C@H]1C[NH2+]CCO1 ZINC001170563643 838113196 /nfs/dbraw/zinc/11/31/96/838113196.db2.gz NGPBZHFAVQNMIP-GXTWGEPZSA-N 3 2 291.399 0.280 20 0 CCADLP CCCC[NH2+]CCNC(=O)[C@@H]1COCC[N@H+]1CCCC ZINC001131822343 838231272 /nfs/dbraw/zinc/23/12/72/838231272.db2.gz NPZSVPRNEJBKPR-AWEZNQCLSA-N 2 2 285.432 0.993 20 0 CCADLP CCCC[NH2+]CCNC(=O)[C@@H]1COCC[N@@H+]1CCCC ZINC001131822343 838231258 /nfs/dbraw/zinc/23/12/58/838231258.db2.gz NPZSVPRNEJBKPR-AWEZNQCLSA-N 2 2 285.432 0.993 20 0 CCADLP O=C(NCC[NH2+]CCF)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001131825875 838233752 /nfs/dbraw/zinc/23/37/52/838233752.db2.gz VTLVMMVZJQWWAJ-CYBMUJFWSA-N 2 2 287.379 0.163 20 0 CCADLP O=C(NCC[NH2+]CCF)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001131825875 838233767 /nfs/dbraw/zinc/23/37/67/838233767.db2.gz VTLVMMVZJQWWAJ-CYBMUJFWSA-N 2 2 287.379 0.163 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@@H+]1CCCO ZINC001132026097 838304041 /nfs/dbraw/zinc/30/40/41/838304041.db2.gz ZIUSYWZCMGHNJH-CHWSQXEVSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C[N@H+]1CCCO ZINC001132026097 838304047 /nfs/dbraw/zinc/30/40/47/838304047.db2.gz ZIUSYWZCMGHNJH-CHWSQXEVSA-N 2 2 294.399 0.694 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]Cc1nccs1 ZINC001132079747 838313216 /nfs/dbraw/zinc/31/32/16/838313216.db2.gz KWJDCTJQHBJISK-UHFFFAOYSA-N 2 2 279.369 0.636 20 0 CCADLP COCC[N@@H+]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132090517 838318537 /nfs/dbraw/zinc/31/85/37/838318537.db2.gz HWVPQMBZWJGHEQ-TZMCWYRMSA-N 2 2 294.399 0.958 20 0 CCADLP COCC[N@H+]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C ZINC001132090517 838318539 /nfs/dbraw/zinc/31/85/39/838318539.db2.gz HWVPQMBZWJGHEQ-TZMCWYRMSA-N 2 2 294.399 0.958 20 0 CCADLP COCC[N@@H+]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132090517 838318546 /nfs/dbraw/zinc/31/85/46/838318546.db2.gz HWVPQMBZWJGHEQ-TZMCWYRMSA-N 2 2 294.399 0.958 20 0 CCADLP COCC[N@H+]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C ZINC001132090517 838318552 /nfs/dbraw/zinc/31/85/52/838318552.db2.gz HWVPQMBZWJGHEQ-TZMCWYRMSA-N 2 2 294.399 0.958 20 0 CCADLP COCC[N@@H+]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C ZINC001132090514 838318707 /nfs/dbraw/zinc/31/87/07/838318707.db2.gz HWVPQMBZWJGHEQ-GXTWGEPZSA-N 2 2 294.399 0.958 20 0 CCADLP COCC[N@H+]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C ZINC001132090514 838318713 /nfs/dbraw/zinc/31/87/13/838318713.db2.gz HWVPQMBZWJGHEQ-GXTWGEPZSA-N 2 2 294.399 0.958 20 0 CCADLP COCC[N@@H+]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001132090514 838318717 /nfs/dbraw/zinc/31/87/17/838318717.db2.gz HWVPQMBZWJGHEQ-GXTWGEPZSA-N 2 2 294.399 0.958 20 0 CCADLP COCC[N@H+]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C ZINC001132090514 838318720 /nfs/dbraw/zinc/31/87/20/838318720.db2.gz HWVPQMBZWJGHEQ-GXTWGEPZSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C[N@@H+]1CCO ZINC001132456552 838402117 /nfs/dbraw/zinc/40/21/17/838402117.db2.gz GLWTXUOZQFKKPN-OLZOCXBDSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C[N@H+]1CCO ZINC001132456552 838402121 /nfs/dbraw/zinc/40/21/21/838402121.db2.gz GLWTXUOZQFKKPN-OLZOCXBDSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[N@@H+]1CCO ZINC001132545728 838426738 /nfs/dbraw/zinc/42/67/38/838426738.db2.gz FKSQLKXGGKZWNO-KGLIPLIRSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[N@H+]1CCO ZINC001132545728 838426743 /nfs/dbraw/zinc/42/67/43/838426743.db2.gz FKSQLKXGGKZWNO-KGLIPLIRSA-N 2 2 294.399 0.625 20 0 CCADLP CN(C)c1cc[nH+]c(NC[C@H]2COCC[N@@H+]2C)c1 ZINC001158702430 838485383 /nfs/dbraw/zinc/48/53/83/838485383.db2.gz RCKIRHLGUOCYHJ-LBPRGKRZSA-N 2 2 250.346 0.890 20 0 CCADLP CN(C)c1cc[nH+]c(NC[C@H]2COCC[N@H+]2C)c1 ZINC001158702430 838485388 /nfs/dbraw/zinc/48/53/88/838485388.db2.gz RCKIRHLGUOCYHJ-LBPRGKRZSA-N 2 2 250.346 0.890 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)C2(C[NH+](C)C)CC2)o1 ZINC001132993282 838533084 /nfs/dbraw/zinc/53/30/84/838533084.db2.gz RMYHKLRMIYLEIN-UHFFFAOYSA-N 2 2 280.372 0.531 20 0 CCADLP C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C[NH2+]CCO ZINC001133135625 838559878 /nfs/dbraw/zinc/55/98/78/838559878.db2.gz VARMXVGGNTYLQO-NEPJUHHUSA-N 2 2 280.372 0.019 20 0 CCADLP C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CCF ZINC001133196618 838573376 /nfs/dbraw/zinc/57/33/76/838573376.db2.gz VIQZYMFZNXCRGI-NWDGAFQWSA-N 2 2 282.363 0.996 20 0 CCADLP O=C(NCC[NH2+]CCCF)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001133662998 838690998 /nfs/dbraw/zinc/69/09/98/838690998.db2.gz AKKQKJJPSXPKDR-JTQLQIEISA-N 2 2 268.336 0.895 20 0 CCADLP C[C@H]1CCC[N@H+]1CC(=O)NCC[NH2+]Cc1ncccn1 ZINC001133834270 838733058 /nfs/dbraw/zinc/73/30/58/838733058.db2.gz SOGMBLNMGQYUNY-LBPRGKRZSA-N 2 2 277.372 0.167 20 0 CCADLP CC[C@@H](C(=O)NCC[NH2+][C@@H](C)c1csnn1)[NH+](C)C ZINC001133965934 838794903 /nfs/dbraw/zinc/79/49/03/838794903.db2.gz QBJCPLZVLTXXBF-ONGXEEELSA-N 2 2 285.417 0.645 20 0 CCADLP CCc1nnc([C@H](C)[NH2+]CCNC(=O)[C@H](CC)[NH+](C)C)[nH]1 ZINC001133965762 838795792 /nfs/dbraw/zinc/79/57/92/838795792.db2.gz JGOQEQRXSMULMK-QWRGUYRKSA-N 2 2 296.419 0.474 20 0 CCADLP CCOCCC[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001134517604 839000498 /nfs/dbraw/zinc/00/04/98/839000498.db2.gz MBCIUOWEPPSJDT-CYBMUJFWSA-N 2 2 282.388 0.967 20 0 CCADLP CC(C)OCC[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001134517875 839001199 /nfs/dbraw/zinc/00/11/99/839001199.db2.gz VEFDIEKIXISWPI-ZDUSSCGKSA-N 2 2 282.388 0.965 20 0 CCADLP C[C@H](C[C@H](C)[NH2+]CCO)NC(=O)CCc1[nH+]ccn1C ZINC001135057166 839143309 /nfs/dbraw/zinc/14/33/09/839143309.db2.gz RTOQNGWIARFNHH-NWDGAFQWSA-N 2 2 282.388 0.218 20 0 CCADLP Cc1nc2[nH]ccc2c(NCCOCCOCC[NH3+])[nH+]1 ZINC001159444294 839192780 /nfs/dbraw/zinc/19/27/80/839192780.db2.gz FFHMJHBQQLDNEM-UHFFFAOYSA-N 2 2 279.344 0.670 20 0 CCADLP Cc1cc(C[NH2+]CCCNC(=O)CCc2c[nH]c[nH+]2)on1 ZINC001159527428 839360075 /nfs/dbraw/zinc/36/00/75/839360075.db2.gz NCMFMYPPOPTXEM-UHFFFAOYSA-N 2 2 291.355 0.935 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CC1CCOCC1 ZINC001135760933 839393823 /nfs/dbraw/zinc/39/38/23/839393823.db2.gz WFAUIVSQPUIYDG-UHFFFAOYSA-N 2 2 266.345 0.085 20 0 CCADLP Cc1ccc(C[NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)c(C)n1 ZINC001135760004 839394467 /nfs/dbraw/zinc/39/44/67/839394467.db2.gz GQYXOSVHUXICNA-UHFFFAOYSA-N 2 2 287.367 0.870 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]C[C@@H]1C[C@@]12CCOC2 ZINC001135758098 839395796 /nfs/dbraw/zinc/39/57/96/839395796.db2.gz YIUHJJUHSRPQFB-SMDDNHRTSA-N 2 2 278.356 0.085 20 0 CCADLP CC[C@@]([NH3+])(CO)Nc1cc(N2CCCC2)[nH+]cn1 ZINC001170858011 839442995 /nfs/dbraw/zinc/44/29/95/839442995.db2.gz IPWRTLDLVTWCIQ-LBPRGKRZSA-N 2 2 251.334 0.546 20 0 CCADLP C[C@@H](C[C@H](C)[NH2+]CCCO)NC(=O)CCc1c[nH+]cn1C ZINC001136054482 839508818 /nfs/dbraw/zinc/50/88/18/839508818.db2.gz JSTVJGFOWRNXDA-STQMWFEESA-N 2 2 296.415 0.608 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001245976044 839575998 /nfs/dbraw/zinc/57/59/98/839575998.db2.gz BEPJIOMBXOSWMZ-AGIUHOORSA-N 3 2 257.422 0.571 20 0 CCADLP [NH3+]CCC[C@@H]([NH3+])Nc1cccc(N2CCOCC2)[nH+]1 ZINC001159786795 839581042 /nfs/dbraw/zinc/58/10/42/839581042.db2.gz KIMKQRNBCMNTKQ-NSHDSACASA-N 3 2 265.361 0.354 20 0 CCADLP COCC[N@@H+]1CCC[C@@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001273508375 844451147 /nfs/dbraw/zinc/45/11/47/844451147.db2.gz IBKJVYJNJGLHPF-HNNXBMFYSA-N 2 2 292.383 0.596 20 0 CCADLP CCOC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)CCN1 ZINC001246077932 839595817 /nfs/dbraw/zinc/59/58/17/839595817.db2.gz HCEAESSYWXFZFG-CYDGBPFRSA-N 2 2 269.389 0.400 20 0 CCADLP F[C@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCN[C@H](C(F)(F)F)C1 ZINC001246089607 839602648 /nfs/dbraw/zinc/60/26/48/839602648.db2.gz AETDHMHHYNRGDO-XKNYDFJKSA-N 2 2 269.286 0.959 20 0 CCADLP C[C@@H]1CC[C@@H]([NH2+]CCCCN2CC[NH2+]CC2)C[NH2+]1 ZINC001246089121 839603408 /nfs/dbraw/zinc/60/34/08/839603408.db2.gz OPJLEMLZHOZDBZ-ZIAGYGMSSA-N 3 2 254.422 0.402 20 0 CCADLP CC(C)(C)OC(=O)C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246152968 839648481 /nfs/dbraw/zinc/64/84/81/839648481.db2.gz ORTGMYIQBGOKJH-SNVBAGLBSA-N 2 2 255.362 0.012 20 0 CCADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1C[NH2+]CCF ZINC001185789839 844460103 /nfs/dbraw/zinc/46/01/03/844460103.db2.gz VVEMDUGNGWAHAV-STQMWFEESA-N 2 2 282.363 0.927 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1Cc2cccc(Cl)c2C1 ZINC001246306470 839777881 /nfs/dbraw/zinc/77/78/81/839777881.db2.gz KPKKXBBVTAICFK-MISXGVKJSA-N 2 2 266.772 0.977 20 0 CCADLP CCCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001185924836 844476013 /nfs/dbraw/zinc/47/60/13/844476013.db2.gz FVUKBIBZUVGAEG-LLVKDONJSA-N 2 2 250.346 0.943 20 0 CCADLP CC[C@@]1(C(=O)OC)C[C@@H](N[C@H]2CCCC[C@H]2[NH3+])C[NH2+]1 ZINC001246478046 839865579 /nfs/dbraw/zinc/86/55/79/839865579.db2.gz MVRJHMZABYBHGL-NMKXLXIOSA-N 2 2 269.389 0.530 20 0 CCADLP C[C@@H](CCCC[NH2+]CC(N)=O)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171151655 839979618 /nfs/dbraw/zinc/97/96/18/839979618.db2.gz JEMHLEBFXDZAIQ-NSHDSACASA-N 2 2 295.387 0.092 20 0 CCADLP C[C@@H](CCCC[NH2+]CC(N)=O)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171151655 839979620 /nfs/dbraw/zinc/97/96/20/839979620.db2.gz JEMHLEBFXDZAIQ-NSHDSACASA-N 2 2 295.387 0.092 20 0 CCADLP CN(CCc1cccs1)C(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160531149 839988128 /nfs/dbraw/zinc/98/81/28/839988128.db2.gz GUWXHUFASRSJHC-SMDDNHRTSA-N 2 2 279.409 0.701 20 0 CCADLP C[NH+]1CCN(C2CC[NH+](Cc3ccc(O)cn3)CC2)CC1 ZINC001144259222 839988199 /nfs/dbraw/zinc/98/81/99/839988199.db2.gz NVPOISNAWDNWMU-UHFFFAOYSA-N 2 2 290.411 0.999 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](Cc2ccc(O)cn2)CCC1=O ZINC001144265730 839991599 /nfs/dbraw/zinc/99/15/99/839991599.db2.gz YFUNLRCIJOQYSL-UHFFFAOYSA-N 2 2 292.383 0.383 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](Cc2ccc(O)cn2)CCC1=O ZINC001144265730 839991609 /nfs/dbraw/zinc/99/16/09/839991609.db2.gz YFUNLRCIJOQYSL-UHFFFAOYSA-N 2 2 292.383 0.383 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCC[C@](O)(C[NH3+])C1)C2 ZINC001246558993 840014722 /nfs/dbraw/zinc/01/47/22/840014722.db2.gz MSYJTYRUNUVHQK-YJNKXOJESA-N 3 2 267.417 0.787 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCC[C@](O)(C[NH3+])C1)C2 ZINC001246558993 840014728 /nfs/dbraw/zinc/01/47/28/840014728.db2.gz MSYJTYRUNUVHQK-YJNKXOJESA-N 3 2 267.417 0.787 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCC[C@](O)(C[NH3+])C1)C2 ZINC001246558993 840014732 /nfs/dbraw/zinc/01/47/32/840014732.db2.gz MSYJTYRUNUVHQK-YJNKXOJESA-N 3 2 267.417 0.787 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCC[C@](O)(C[NH3+])C1)C2 ZINC001246558993 840014735 /nfs/dbraw/zinc/01/47/35/840014735.db2.gz MSYJTYRUNUVHQK-YJNKXOJESA-N 3 2 267.417 0.787 20 0 CCADLP O=C(NCC1CC([NH2+]CCF)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001091105992 840051141 /nfs/dbraw/zinc/05/11/41/840051141.db2.gz CQTNZSKGEKGSCL-CPCZMJQVSA-N 2 2 294.374 0.899 20 0 CCADLP O=C(NCC1CC([NH2+]CCF)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001091106704 840051551 /nfs/dbraw/zinc/05/15/51/840051551.db2.gz SPHYRHZLGZHXGC-OTTFEQOBSA-N 2 2 294.374 0.899 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N(C(C)C)[C@@H]2CCC[NH2+]CC2)C[NH2+]1 ZINC001246596849 840154217 /nfs/dbraw/zinc/15/42/17/840154217.db2.gz VRXMEJNEKZKJSG-MCIONIFRSA-N 2 2 283.416 0.742 20 0 CCADLP C[C@H]1C[C@H]([NH+]2CCN(c3cncnc3)CC2)CC[NH2+]1 ZINC001246866932 840353844 /nfs/dbraw/zinc/35/38/44/840353844.db2.gz GLYXXECKZSHZAC-QWHCGFSZSA-N 2 2 261.373 0.739 20 0 CCADLP [NH3+]CC1C[NH+]([C@H]2CCCN(C3CC[NH2+]CC3)C2)C1 ZINC001246871823 840361211 /nfs/dbraw/zinc/36/12/11/840361211.db2.gz MUNTYAPNRQWNEP-AWEZNQCLSA-N 3 2 252.406 0.093 20 0 CCADLP CCN(C(=O)C1CC[NH+](CC)CC1)C1C[NH+](C)C1 ZINC001146781601 840364847 /nfs/dbraw/zinc/36/48/47/840364847.db2.gz JQTSNCPWYFOSLM-UHFFFAOYSA-N 2 2 253.390 0.881 20 0 CCADLP COCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146757366 840371260 /nfs/dbraw/zinc/37/12/60/840371260.db2.gz OMEWTYPQXFAQKG-STQMWFEESA-N 2 2 282.388 0.793 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]C[C@H]1CCCOC1 ZINC001149123508 840427855 /nfs/dbraw/zinc/42/78/55/840427855.db2.gz JYMODFGKOAISRB-GFCCVEGCSA-N 2 2 280.372 0.393 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CCC[C@@H](C)O ZINC001149123516 840429066 /nfs/dbraw/zinc/42/90/66/840429066.db2.gz KIMVVKWGBPDMIU-SNVBAGLBSA-N 2 2 268.361 0.127 20 0 CCADLP CO[C@H](C[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C)C1CCC1 ZINC001149123319 840448720 /nfs/dbraw/zinc/44/87/20/840448720.db2.gz JMDKUOYCRPVKPQ-CQSZACIVSA-N 2 2 294.399 0.782 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]Cc1cncs1 ZINC001147877421 840711269 /nfs/dbraw/zinc/71/12/69/840711269.db2.gz JRASCAIHDOIQAT-UHFFFAOYSA-N 2 2 279.369 0.325 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+]CCOC2CCC2)C1 ZINC001186576754 844569896 /nfs/dbraw/zinc/56/98/96/844569896.db2.gz YJEVVNNYBXUULW-GFCCVEGCSA-N 2 2 292.383 0.712 20 0 CCADLP C[C@]12CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]1C[N@H+](CCO)C2 ZINC001091725847 840817740 /nfs/dbraw/zinc/81/77/40/840817740.db2.gz OJKMNKAERGDRFM-DOMZBBRYSA-N 2 2 292.383 0.115 20 0 CCADLP C[C@]12CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]1C[N@@H+](CCO)C2 ZINC001091725847 840817749 /nfs/dbraw/zinc/81/77/49/840817749.db2.gz OJKMNKAERGDRFM-DOMZBBRYSA-N 2 2 292.383 0.115 20 0 CCADLP C[C@]12CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]1C[N@H+](CCO)C2 ZINC001091725847 840817759 /nfs/dbraw/zinc/81/77/59/840817759.db2.gz OJKMNKAERGDRFM-DOMZBBRYSA-N 2 2 292.383 0.115 20 0 CCADLP C[C@]12CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]1C[N@@H+](CCO)C2 ZINC001091725847 840817765 /nfs/dbraw/zinc/81/77/65/840817765.db2.gz OJKMNKAERGDRFM-DOMZBBRYSA-N 2 2 292.383 0.115 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH2+][C@H](C)c1csnn1 ZINC001148642872 840864025 /nfs/dbraw/zinc/86/40/25/840864025.db2.gz OTQFQYDHOGZKEQ-SNVBAGLBSA-N 2 2 285.417 0.647 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@H](C)c1csnn1 ZINC001148642872 840864035 /nfs/dbraw/zinc/86/40/35/840864035.db2.gz OTQFQYDHOGZKEQ-SNVBAGLBSA-N 2 2 285.417 0.647 20 0 CCADLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@H+](CCF)C2 ZINC001092052100 840986029 /nfs/dbraw/zinc/98/60/29/840986029.db2.gz DGRYXQXSQYQZTF-RISCZKNCSA-N 2 2 280.347 0.702 20 0 CCADLP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]1C[N@@H+](CCF)C2 ZINC001092052100 840986037 /nfs/dbraw/zinc/98/60/37/840986037.db2.gz DGRYXQXSQYQZTF-RISCZKNCSA-N 2 2 280.347 0.702 20 0 CCADLP c1nnnn1CC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000712613814 841099585 /nfs/dbraw/zinc/09/95/85/841099585.db2.gz DIUKQEUYHHLOTO-UHFFFAOYSA-N 2 2 250.350 0.137 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2[C@@H](CC[N@H+]2CCO)C1 ZINC001036786635 841217836 /nfs/dbraw/zinc/21/78/36/841217836.db2.gz YOPOPNQPNODPNW-KBPBESRZSA-N 2 2 292.383 0.188 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2[C@@H](CC[N@@H+]2CCO)C1 ZINC001036786635 841217842 /nfs/dbraw/zinc/21/78/42/841217842.db2.gz YOPOPNQPNODPNW-KBPBESRZSA-N 2 2 292.383 0.188 20 0 CCADLP [NH3+]C[C@@H]1[C@H](C(=O)NCCCCn2cc[nH+]c2)C1(F)F ZINC000715114239 841257571 /nfs/dbraw/zinc/25/75/71/841257571.db2.gz KTINVBTWWSQVKZ-NXEZZACHSA-N 2 2 272.299 0.620 20 0 CCADLP CC(C)[N@H+](C)CCC[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716108838 841436657 /nfs/dbraw/zinc/43/66/57/841436657.db2.gz QHLZWTLZBWJOBK-UHFFFAOYSA-N 2 2 262.419 0.882 20 0 CCADLP CC(C)[N@@H+](C)CCC[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716108838 841436661 /nfs/dbraw/zinc/43/66/61/841436661.db2.gz QHLZWTLZBWJOBK-UHFFFAOYSA-N 2 2 262.419 0.882 20 0 CCADLP Cc1nc(NCCNC(=O)[C@@H](C(C)C)[NH+](C)C)cc[nH+]1 ZINC001093770686 841453968 /nfs/dbraw/zinc/45/39/68/841453968.db2.gz CYBFVFIMBXHVFA-CYBMUJFWSA-N 2 2 279.388 0.899 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]2[C@@H](CC[N@H+]2CCF)C1 ZINC001036910673 841689598 /nfs/dbraw/zinc/68/95/98/841689598.db2.gz XECFFQPWHHZJRY-QWHCGFSZSA-N 2 2 280.347 0.775 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCF)C1 ZINC001036910673 841689603 /nfs/dbraw/zinc/68/96/03/841689603.db2.gz XECFFQPWHHZJRY-QWHCGFSZSA-N 2 2 280.347 0.775 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCN1C ZINC001172127749 841835990 /nfs/dbraw/zinc/83/59/90/841835990.db2.gz LFXULTIEQVMDOM-YJNKXOJESA-N 2 2 295.427 0.791 20 0 CCADLP COC(=O)[C@@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCN1C ZINC001172127749 841835997 /nfs/dbraw/zinc/83/59/97/841835997.db2.gz LFXULTIEQVMDOM-YJNKXOJESA-N 2 2 295.427 0.791 20 0 CCADLP COC(=O)[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCN1C ZINC001172127749 841836005 /nfs/dbraw/zinc/83/60/05/841836005.db2.gz LFXULTIEQVMDOM-YJNKXOJESA-N 2 2 295.427 0.791 20 0 CCADLP COC(=O)[C@@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCN1C ZINC001172127749 841836009 /nfs/dbraw/zinc/83/60/09/841836009.db2.gz LFXULTIEQVMDOM-YJNKXOJESA-N 2 2 295.427 0.791 20 0 CCADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCO[C@@H](CO)C1)C2 ZINC001172117599 841851184 /nfs/dbraw/zinc/85/11/84/841851184.db2.gz KCGJIPCKIKTFSV-ZOBORPQBSA-N 2 2 254.374 0.695 20 0 CCADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCO[C@@H](CO)C1)C2 ZINC001172117599 841851187 /nfs/dbraw/zinc/85/11/87/841851187.db2.gz KCGJIPCKIKTFSV-ZOBORPQBSA-N 2 2 254.374 0.695 20 0 CCADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+]1CCO[C@@H](CO)C1)C2 ZINC001172117599 841851191 /nfs/dbraw/zinc/85/11/91/841851191.db2.gz KCGJIPCKIKTFSV-ZOBORPQBSA-N 2 2 254.374 0.695 20 0 CCADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@@H]([N@H+]1CCO[C@@H](CO)C1)C2 ZINC001172117599 841851198 /nfs/dbraw/zinc/85/11/98/841851198.db2.gz KCGJIPCKIKTFSV-ZOBORPQBSA-N 2 2 254.374 0.695 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])NC2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172230534 841899130 /nfs/dbraw/zinc/89/91/30/841899130.db2.gz HQORLDPWEYAJKB-YOGCLGLASA-N 2 2 250.346 0.244 20 0 CCADLP COCCC[NH+]1CCC(NCC[NH+]2CCC2)CC1 ZINC001172249740 841912761 /nfs/dbraw/zinc/91/27/61/841912761.db2.gz KSUZIWALKNRRKD-UHFFFAOYSA-N 2 2 255.406 0.783 20 0 CCADLP COCCC[NH+]1CCC([NH+]2CC(C(=O)N(C)C)C2)CC1 ZINC001172254163 841913783 /nfs/dbraw/zinc/91/37/83/841913783.db2.gz AEJWUAZNBAXIGL-UHFFFAOYSA-N 2 2 283.416 0.507 20 0 CCADLP COc1nccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)n1 ZINC001206175060 841975923 /nfs/dbraw/zinc/97/59/23/841975923.db2.gz RMKFLJCCRDLDTF-QWRGUYRKSA-N 2 2 254.309 0.746 20 0 CCADLP COc1nccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)n1 ZINC001206175060 841975928 /nfs/dbraw/zinc/97/59/28/841975928.db2.gz RMKFLJCCRDLDTF-QWRGUYRKSA-N 2 2 254.309 0.746 20 0 CCADLP CC[NH+](CC)C1CCC([NH2+][C@@H]2COC[C@H]2[NH3+])CC1 ZINC001173103515 841996931 /nfs/dbraw/zinc/99/69/31/841996931.db2.gz KAJHRKYCIBINKD-NWINJMCUSA-N 3 2 255.406 0.955 20 0 CCADLP Cc1nc(N(C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)cc[nH+]1 ZINC001095157546 842079919 /nfs/dbraw/zinc/07/99/19/842079919.db2.gz VTVWSLIQUIKRGO-CYBMUJFWSA-N 2 2 291.399 0.774 20 0 CCADLP COC(=O)c1ccc(C[C@@H](C)[N@H+](CC[NH3+])CCO)cc1 ZINC001173708713 842132147 /nfs/dbraw/zinc/13/21/47/842132147.db2.gz JWXNPAWWZGIIKK-GFCCVEGCSA-N 2 2 280.368 0.657 20 0 CCADLP COC(=O)c1ccc(C[C@@H](C)[N@@H+](CC[NH3+])CCO)cc1 ZINC001173708713 842132153 /nfs/dbraw/zinc/13/21/53/842132153.db2.gz JWXNPAWWZGIIKK-GFCCVEGCSA-N 2 2 280.368 0.657 20 0 CCADLP Cn1cc[nH+]c1Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001174490091 842187229 /nfs/dbraw/zinc/18/72/29/842187229.db2.gz VQHHPUNVMLRGQF-UHFFFAOYSA-N 2 2 276.344 0.692 20 0 CCADLP Cc1cc(C[NH2+]CCCNC(=O)Cc2[nH]c[nH+]c2C)no1 ZINC001174684097 842200404 /nfs/dbraw/zinc/20/04/04/842200404.db2.gz ZGDZBEDFZNBGSI-UHFFFAOYSA-N 2 2 291.355 0.853 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]CCC[C@H](C)O ZINC001174692501 842200458 /nfs/dbraw/zinc/20/04/58/842200458.db2.gz VBGRNRJTNCYYRS-NSHDSACASA-N 2 2 282.388 0.518 20 0 CCADLP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)Cc1c[nH+]c[nH]1 ZINC001176831838 842418106 /nfs/dbraw/zinc/41/81/06/842418106.db2.gz ZZAUOJPAHIVCLS-SNVBAGLBSA-N 2 2 272.312 0.393 20 0 CCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC001176877404 842437449 /nfs/dbraw/zinc/43/74/49/842437449.db2.gz CYABMVBESPIHTE-CHWSQXEVSA-N 2 2 262.357 0.826 20 0 CCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC001176877404 842437455 /nfs/dbraw/zinc/43/74/55/842437455.db2.gz CYABMVBESPIHTE-CHWSQXEVSA-N 2 2 262.357 0.826 20 0 CCADLP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)CCn1cc[nH+]c1 ZINC001176883834 842439339 /nfs/dbraw/zinc/43/93/39/842439339.db2.gz PNDRHHJDLUIYPP-UHFFFAOYSA-N 3 2 280.376 0.337 20 0 CCADLP C[C@H](C(=O)n1c(=N)sc2c1CC[C@H]([NH3+])C2)n1cc[nH+]c1 ZINC001177926999 842705840 /nfs/dbraw/zinc/70/58/40/842705840.db2.gz NLPNHCKIHVWEBO-BDAKNGLRSA-N 2 2 291.380 0.943 20 0 CCADLP C[C@H](C(=O)N1C[C@@H]2CCC[N@H+](C)[C@@H]2C1)n1cc[nH+]c1 ZINC001177925456 842711754 /nfs/dbraw/zinc/71/17/54/842711754.db2.gz JQYCANFCQAKEAP-FRRDWIJNSA-N 2 2 262.357 0.997 20 0 CCADLP C[C@H](C(=O)N1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1)n1cc[nH+]c1 ZINC001177925456 842711756 /nfs/dbraw/zinc/71/17/56/842711756.db2.gz JQYCANFCQAKEAP-FRRDWIJNSA-N 2 2 262.357 0.997 20 0 CCADLP C[N@H+](C1CN(C(=O)CCc2[nH]cc[nH+]2)C1)[C@H]1CCOC1 ZINC001177998409 842721175 /nfs/dbraw/zinc/72/11/75/842721175.db2.gz RYDYYPBGBXXNSQ-NSHDSACASA-N 2 2 278.356 0.274 20 0 CCADLP C[N@@H+](C1CN(C(=O)CCc2[nH]cc[nH+]2)C1)[C@H]1CCOC1 ZINC001177998409 842721181 /nfs/dbraw/zinc/72/11/81/842721181.db2.gz RYDYYPBGBXXNSQ-NSHDSACASA-N 2 2 278.356 0.274 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001178117811 842760818 /nfs/dbraw/zinc/76/08/18/842760818.db2.gz IEPVCUDDSQGXSP-GHMZBOCLSA-N 2 2 250.346 0.512 20 0 CCADLP C[C@H](CC(=O)N1CC[C@H]([NH2+]CCCO)[C@@H]1C)n1cc[nH+]c1 ZINC001179622302 843031724 /nfs/dbraw/zinc/03/17/24/843031724.db2.gz JCECHYVBICMXFV-RDBSUJKOSA-N 2 2 294.399 0.796 20 0 CCADLP C[C@H](O)C[NH2+]CCCCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001179902771 843086721 /nfs/dbraw/zinc/08/67/21/843086721.db2.gz QGKGNZAISURFEP-LBPRGKRZSA-N 2 2 282.388 0.599 20 0 CCADLP C[C@@H](C(=O)N1CCc2[nH+]ccn2CC1)[NH+]1CCCC1 ZINC001180576745 843192913 /nfs/dbraw/zinc/19/29/13/843192913.db2.gz AYLZGBCBHKXWAV-LBPRGKRZSA-N 2 2 262.357 0.752 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)Nc2ccnn2-c2cc[nH+]cc2)C1 ZINC001180757511 843279718 /nfs/dbraw/zinc/27/97/18/843279718.db2.gz WJKICQQJKYGDKT-LBPRGKRZSA-N 2 2 287.323 0.536 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)Nc2ccnn2-c2cc[nH+]cc2)C1 ZINC001180757511 843279725 /nfs/dbraw/zinc/27/97/25/843279725.db2.gz WJKICQQJKYGDKT-LBPRGKRZSA-N 2 2 287.323 0.536 20 0 CCADLP CCOc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cn1 ZINC001206474501 843656382 /nfs/dbraw/zinc/65/63/82/843656382.db2.gz CGWKRMCJQORDRN-NWDGAFQWSA-N 2 2 251.330 0.232 20 0 CCADLP CCOc1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cn1 ZINC001206474501 843656387 /nfs/dbraw/zinc/65/63/87/843656387.db2.gz CGWKRMCJQORDRN-NWDGAFQWSA-N 2 2 251.330 0.232 20 0 CCADLP CC(=O)OCc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)o1 ZINC001206474553 843658094 /nfs/dbraw/zinc/65/80/94/843658094.db2.gz FMFYVLMONLGADQ-GXFFZTMASA-N 2 2 268.313 0.094 20 0 CCADLP CC(=O)OCc1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)o1 ZINC001206474553 843658102 /nfs/dbraw/zinc/65/81/02/843658102.db2.gz FMFYVLMONLGADQ-GXFFZTMASA-N 2 2 268.313 0.094 20 0 CCADLP C[NH+]1CCC(C)(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC001181990042 843664959 /nfs/dbraw/zinc/66/49/59/843664959.db2.gz ITWUTARHPCCIAI-LBPRGKRZSA-N 2 2 269.389 0.165 20 0 CCADLP C[NH+]1CCC(C)(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001181990042 843664963 /nfs/dbraw/zinc/66/49/63/843664963.db2.gz ITWUTARHPCCIAI-LBPRGKRZSA-N 2 2 269.389 0.165 20 0 CCADLP C[NH+]1CCC(O)(C(=O)Nc2cccc3[nH+]ccn32)CC1 ZINC001182028778 843680759 /nfs/dbraw/zinc/68/07/59/843680759.db2.gz DWZZPQHBOVTRBK-UHFFFAOYSA-N 2 2 274.324 0.730 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001182017860 843694512 /nfs/dbraw/zinc/69/45/12/843694512.db2.gz SIUKYINLVBIPSC-JSGCOSHPSA-N 2 2 281.400 0.165 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001182017860 843694518 /nfs/dbraw/zinc/69/45/18/843694518.db2.gz SIUKYINLVBIPSC-JSGCOSHPSA-N 2 2 281.400 0.165 20 0 CCADLP CC[C@@H](C[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1)OC ZINC001182220603 843756241 /nfs/dbraw/zinc/75/62/41/843756241.db2.gz MHVDWRGFCCBFKI-OLZOCXBDSA-N 2 2 294.399 0.958 20 0 CCADLP C[NH+](C)C1(C(=O)N2CCN(c3[nH+]cccc3N)CC2)CC1 ZINC001182597486 843858866 /nfs/dbraw/zinc/85/88/66/843858866.db2.gz NQOSTYWJJKDBFM-UHFFFAOYSA-N 2 2 289.383 0.407 20 0 CCADLP Cc1[nH]c2c([nH+]1)CCN(C(=O)C1([NH+](C)C)CC1)CC2 ZINC001182596933 843859857 /nfs/dbraw/zinc/85/98/57/843859857.db2.gz LECVVSKVQPKKHX-UHFFFAOYSA-N 2 2 262.357 0.740 20 0 CCADLP COC[C@@H](C)[NH+]1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000076613969 845073414 /nfs/dbraw/zinc/07/34/14/845073414.db2.gz FXXLQOAQFFHQTE-CQSZACIVSA-N 2 2 294.399 0.842 20 0 CCADLP CC(C)OCC[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194457816 846293472 /nfs/dbraw/zinc/29/34/72/846293472.db2.gz AXNZXGQZVFBJKP-AWEZNQCLSA-N 2 2 294.399 0.841 20 0 CCADLP CC(C)OCC[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194457816 846293480 /nfs/dbraw/zinc/29/34/80/846293480.db2.gz AXNZXGQZVFBJKP-AWEZNQCLSA-N 2 2 294.399 0.841 20 0 CCADLP COc1nccc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)n1 ZINC001205680776 846417078 /nfs/dbraw/zinc/41/70/78/846417078.db2.gz AGQMQIZNAKGOLT-CYBMUJFWSA-N 2 2 266.345 0.161 20 0 CCADLP COc1nccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)n1 ZINC001205680776 846417083 /nfs/dbraw/zinc/41/70/83/846417083.db2.gz AGQMQIZNAKGOLT-CYBMUJFWSA-N 2 2 266.345 0.161 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O ZINC001196826965 846805228 /nfs/dbraw/zinc/80/52/28/846805228.db2.gz ODWWTGSEAPQYEL-ZLKJLUDKSA-N 2 2 292.383 0.160 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001196826965 846805236 /nfs/dbraw/zinc/80/52/36/846805236.db2.gz ODWWTGSEAPQYEL-ZLKJLUDKSA-N 2 2 292.383 0.160 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[N@H+](CC2CC2)C[C@H]1O ZINC001196826965 846805245 /nfs/dbraw/zinc/80/52/45/846805245.db2.gz ODWWTGSEAPQYEL-ZLKJLUDKSA-N 2 2 292.383 0.160 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[N@@H+](CC2CC2)C[C@H]1O ZINC001196826965 846805248 /nfs/dbraw/zinc/80/52/48/846805248.db2.gz ODWWTGSEAPQYEL-ZLKJLUDKSA-N 2 2 292.383 0.160 20 0 CCADLP COC[C@@H](C)[NH2+]C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001200293133 847599700 /nfs/dbraw/zinc/59/97/00/847599700.db2.gz XJPGLYMMGDVQBN-GFCCVEGCSA-N 2 2 294.399 0.958 20 0 CCADLP COC[C@H](C)[NH2+]C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001200293135 847599715 /nfs/dbraw/zinc/59/97/15/847599715.db2.gz XJPGLYMMGDVQBN-LBPRGKRZSA-N 2 2 294.399 0.958 20 0 CCADLP Cn1c[nH+]cc1CNC(=S)NCC[NH+]1CCCCC1 ZINC001200416420 847620393 /nfs/dbraw/zinc/62/03/93/847620393.db2.gz BJJRJITYWHBINF-UHFFFAOYSA-N 2 2 281.429 0.870 20 0 CCADLP COC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]c[nH+]1 ZINC001114389303 848032778 /nfs/dbraw/zinc/03/27/78/848032778.db2.gz QKHFAHYRIRHUNQ-PBOSXPJTSA-N 2 2 292.383 0.424 20 0 CCADLP COC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]c[nH+]1 ZINC001114389303 848032786 /nfs/dbraw/zinc/03/27/86/848032786.db2.gz QKHFAHYRIRHUNQ-PBOSXPJTSA-N 2 2 292.383 0.424 20 0 CCADLP COC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]c[nH]1 ZINC001114389303 848032794 /nfs/dbraw/zinc/03/27/94/848032794.db2.gz QKHFAHYRIRHUNQ-PBOSXPJTSA-N 2 2 292.383 0.424 20 0 CCADLP COC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]c[nH]1 ZINC001114389303 848032798 /nfs/dbraw/zinc/03/27/98/848032798.db2.gz QKHFAHYRIRHUNQ-PBOSXPJTSA-N 2 2 292.383 0.424 20 0 CCADLP O=C(C[NH+]1CCCC1)NC/C=C/C[NH2+]Cc1ncccn1 ZINC001274578756 848512385 /nfs/dbraw/zinc/51/23/85/848512385.db2.gz NBEDYAIVZYVGJJ-OWOJBTEDSA-N 2 2 289.383 0.334 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C[NH2+]CCCO ZINC001279172236 848581238 /nfs/dbraw/zinc/58/12/38/848581238.db2.gz VNISQOTYLZIRPV-NEPJUHHUSA-N 2 2 280.372 0.019 20 0 CCADLP C[N@H+]1C[C@@H]2OCCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)[C@H]2C1 ZINC001275043377 848619778 /nfs/dbraw/zinc/61/97/78/848619778.db2.gz COWSTYFXRVANQO-IHRRRGAJSA-N 2 2 279.384 0.012 20 0 CCADLP C[N@@H+]1C[C@@H]2OCCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)[C@H]2C1 ZINC001275043377 848619775 /nfs/dbraw/zinc/61/97/75/848619775.db2.gz COWSTYFXRVANQO-IHRRRGAJSA-N 2 2 279.384 0.012 20 0 CCADLP C[C@H](C[N@@H+](C)C[C@H](C)O)NC(=O)CCc1c[nH]c[nH+]1 ZINC001275573870 848764804 /nfs/dbraw/zinc/76/48/04/848764804.db2.gz JPPRGNQXOLXTAZ-MNOVXSKESA-N 2 2 268.361 0.160 20 0 CCADLP C[C@H](C[N@H+](C)C[C@H](C)O)NC(=O)CCc1c[nH]c[nH+]1 ZINC001275573870 848764806 /nfs/dbraw/zinc/76/48/06/848764806.db2.gz JPPRGNQXOLXTAZ-MNOVXSKESA-N 2 2 268.361 0.160 20 0 CCADLP C[C@H](C[N@@H+](C)C[C@H](C)O)NC(=O)CCc1c[nH+]c[nH]1 ZINC001275573870 848764808 /nfs/dbraw/zinc/76/48/08/848764808.db2.gz JPPRGNQXOLXTAZ-MNOVXSKESA-N 2 2 268.361 0.160 20 0 CCADLP C[C@H](C[N@H+](C)C[C@H](C)O)NC(=O)CCc1c[nH+]c[nH]1 ZINC001275573870 848764813 /nfs/dbraw/zinc/76/48/13/848764813.db2.gz JPPRGNQXOLXTAZ-MNOVXSKESA-N 2 2 268.361 0.160 20 0 CCADLP COCC[NH2+][C@@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001275580844 848767317 /nfs/dbraw/zinc/76/73/17/848767317.db2.gz SUIHVLLBYXWGTM-QWRGUYRKSA-N 2 2 254.334 0.012 20 0 CCADLP C[C@@H]1C[C@@H]1C[N@H+]1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001276034163 848900011 /nfs/dbraw/zinc/90/00/11/848900011.db2.gz XWIDYGQXSQXGQK-FPCVCCKLSA-N 2 2 290.411 0.924 20 0 CCADLP C[C@@H]1C[C@@H]1C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001276034163 848900014 /nfs/dbraw/zinc/90/00/14/848900014.db2.gz XWIDYGQXSQXGQK-FPCVCCKLSA-N 2 2 290.411 0.924 20 0 CCADLP Cc1nc(N(C)CCCNC(=O)[C@@H]2CCC[N@@H+]2C)cc[nH+]1 ZINC001095497932 848956197 /nfs/dbraw/zinc/95/61/97/848956197.db2.gz BGLXYMSFRXTWOQ-ZDUSSCGKSA-N 2 2 291.399 0.822 20 0 CCADLP Cc1nc(N(C)CCCNC(=O)[C@@H]2CCC[N@H+]2C)cc[nH+]1 ZINC001095497932 848956202 /nfs/dbraw/zinc/95/62/02/848956202.db2.gz BGLXYMSFRXTWOQ-ZDUSSCGKSA-N 2 2 291.399 0.822 20 0 CCADLP Cc1nnc(C[NH2+]CCCN(C)C(=O)Cc2c[nH+]c[nH]2)[nH]1 ZINC001276245445 848971759 /nfs/dbraw/zinc/97/17/59/848971759.db2.gz KJNJQUCEADSMQR-UHFFFAOYSA-N 2 2 291.359 0.017 20 0 CCADLP Cc1nc(N(C)CCNC(=O)C2CC[NH+](C)CC2)cc[nH+]1 ZINC001100298337 848985117 /nfs/dbraw/zinc/98/51/17/848985117.db2.gz IMLPEOHAOHORIT-UHFFFAOYSA-N 2 2 291.399 0.679 20 0 CCADLP Cc1nc(N(C)CCCNC(=O)[C@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001095561534 848990945 /nfs/dbraw/zinc/99/09/45/848990945.db2.gz NUJQPAPFLSOHPP-ZDUSSCGKSA-N 2 2 291.399 0.679 20 0 CCADLP Cc1nc(N(C)CCCNC(=O)[C@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001095561534 848990948 /nfs/dbraw/zinc/99/09/48/848990948.db2.gz NUJQPAPFLSOHPP-ZDUSSCGKSA-N 2 2 291.399 0.679 20 0 CCADLP [NH3+]CCC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000037800853 849255225 /nfs/dbraw/zinc/25/52/25/849255225.db2.gz YJPZTDAMLILPET-UHFFFAOYSA-N 2 2 253.371 0.741 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@@H+](CCCF)C[C@H]21 ZINC001114652046 849346655 /nfs/dbraw/zinc/34/66/55/849346655.db2.gz GPKBNYIWLNKRLW-IMRBUKKESA-N 2 2 280.347 0.679 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@H+](CCCF)C[C@H]21 ZINC001114652046 849346664 /nfs/dbraw/zinc/34/66/64/849346664.db2.gz GPKBNYIWLNKRLW-IMRBUKKESA-N 2 2 280.347 0.679 20 0 CCADLP Cc1nc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[NH+](C)C)co1 ZINC001114778796 849392751 /nfs/dbraw/zinc/39/27/51/849392751.db2.gz RNYBCKCYGUASAV-NHAGDIPZSA-N 2 2 292.383 0.481 20 0 CCADLP Cc1nc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[NH+](C)C)co1 ZINC001114778796 849392760 /nfs/dbraw/zinc/39/27/60/849392760.db2.gz RNYBCKCYGUASAV-NHAGDIPZSA-N 2 2 292.383 0.481 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@@H]1C(F)(F)F ZINC000720805291 849540801 /nfs/dbraw/zinc/54/08/01/849540801.db2.gz LZTQTLAWAYOZOI-ZJUUUORDSA-N 2 2 279.306 0.678 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@@H]1C(F)(F)F ZINC000720805291 849540808 /nfs/dbraw/zinc/54/08/08/849540808.db2.gz LZTQTLAWAYOZOI-ZJUUUORDSA-N 2 2 279.306 0.678 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NC[C@H]2CC[N@@H+]2CC2CC2)no1 ZINC001038441161 849900076 /nfs/dbraw/zinc/90/00/76/849900076.db2.gz FDMJACUTQDIIFD-GFCCVEGCSA-N 2 2 292.383 0.950 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NC[C@H]2CC[N@H+]2CC2CC2)no1 ZINC001038441161 849900081 /nfs/dbraw/zinc/90/00/81/849900081.db2.gz FDMJACUTQDIIFD-GFCCVEGCSA-N 2 2 292.383 0.950 20 0 CCADLP CC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC000723978931 850193929 /nfs/dbraw/zinc/19/39/29/850193929.db2.gz UQCJPTBFJTWGCG-ZIAGYGMSSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041714297 850488730 /nfs/dbraw/zinc/48/87/30/850488730.db2.gz PHUBEXGAQRYRCI-DOMZBBRYSA-N 2 2 292.383 0.257 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041714297 850488733 /nfs/dbraw/zinc/48/87/33/850488733.db2.gz PHUBEXGAQRYRCI-DOMZBBRYSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@@H]2CC[N@@H+](CCO)[C@@H]2C1 ZINC001042091370 850576786 /nfs/dbraw/zinc/57/67/86/850576786.db2.gz VETBKFUZXASGDD-GXTWGEPZSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@@H]2CC[N@H+](CCO)[C@@H]2C1 ZINC001042091370 850576790 /nfs/dbraw/zinc/57/67/90/850576790.db2.gz VETBKFUZXASGDD-GXTWGEPZSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@@H]2CC[N@@H+](CCO)[C@@H]2C1 ZINC001042091370 850576793 /nfs/dbraw/zinc/57/67/93/850576793.db2.gz VETBKFUZXASGDD-GXTWGEPZSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@@H]2CC[N@H+](CCO)[C@@H]2C1 ZINC001042091370 850576799 /nfs/dbraw/zinc/57/67/99/850576799.db2.gz VETBKFUZXASGDD-GXTWGEPZSA-N 2 2 292.383 0.257 20 0 CCADLP CC[C@H](C[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1)OC ZINC001042547897 850693602 /nfs/dbraw/zinc/69/36/02/850693602.db2.gz ZRTHGNVWQKGYCG-ZIAGYGMSSA-N 2 2 283.416 0.648 20 0 CCADLP CC[C@H](C[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1)OC ZINC001042547897 850693610 /nfs/dbraw/zinc/69/36/10/850693610.db2.gz ZRTHGNVWQKGYCG-ZIAGYGMSSA-N 2 2 283.416 0.648 20 0 CCADLP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)C1C[NH+](CC2CC2)C1 ZINC001043140813 850820384 /nfs/dbraw/zinc/82/03/84/850820384.db2.gz QYDDJENSMRISQC-ZDUSSCGKSA-N 2 2 288.395 0.998 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001043462753 850876497 /nfs/dbraw/zinc/87/64/97/850876497.db2.gz DFTVBTCAZBLFDW-OAHLLOKOSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@H](O)C[NH+]1CC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001043522468 850891369 /nfs/dbraw/zinc/89/13/69/850891369.db2.gz ZWKGMODSJDFLAE-LBPRGKRZSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)(C)OC(=O)[C@@H](O)C[NH2+]CCc1[nH]cc[nH+]1 ZINC001253699317 850949667 /nfs/dbraw/zinc/94/96/67/850949667.db2.gz KIBHZYIPQZLSGO-VIFPVBQESA-N 2 2 255.318 0.244 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N(C)C2C[NH+](CCCF)C2)C1 ZINC001043876183 850954979 /nfs/dbraw/zinc/95/49/79/850954979.db2.gz ONMYHNRVMJVOPG-GFCCVEGCSA-N 2 2 271.380 0.830 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)C2C[NH+](CCCF)C2)C1 ZINC001043876183 850954986 /nfs/dbraw/zinc/95/49/86/850954986.db2.gz ONMYHNRVMJVOPG-GFCCVEGCSA-N 2 2 271.380 0.830 20 0 CCADLP CC[NH+]1CC(N(C)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001043887641 850958655 /nfs/dbraw/zinc/95/86/55/850958655.db2.gz RAONXRJHEOFURF-LBPRGKRZSA-N 2 2 276.384 0.916 20 0 CCADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1C[NH+](C[C@H]2CCOC2)C1 ZINC001043976552 850975914 /nfs/dbraw/zinc/97/59/14/850975914.db2.gz RTOLGMSGBFOECO-LLVKDONJSA-N 2 2 278.356 0.131 20 0 CCADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](C[C@H](C)O)C1 ZINC001044005590 850983001 /nfs/dbraw/zinc/98/30/01/850983001.db2.gz DTZIPKVFAUSEFE-ZFWWWQNUSA-N 2 2 297.443 0.773 20 0 CCADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](C[C@H](C)O)C1 ZINC001044005590 850983002 /nfs/dbraw/zinc/98/30/02/850983002.db2.gz DTZIPKVFAUSEFE-ZFWWWQNUSA-N 2 2 297.443 0.773 20 0 CCADLP CC(C)[NH+]1CCC(C(=O)N(C)C2C[NH+](CCO)C2)CC1 ZINC001044128580 851018652 /nfs/dbraw/zinc/01/86/52/851018652.db2.gz VDJVTWIQFWPINX-UHFFFAOYSA-N 2 2 283.416 0.242 20 0 CCADLP CN(C(=O)Cn1cc[nH+]c1)C1C[NH+](C[C@H]2CCOC2)C1 ZINC001044367957 851086771 /nfs/dbraw/zinc/08/67/71/851086771.db2.gz GQPIUAJSVVHOTO-GFCCVEGCSA-N 2 2 278.356 0.062 20 0 CCADLP CCCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046218579 851427058 /nfs/dbraw/zinc/42/70/58/851427058.db2.gz LDOSDKBWHCXIEI-HIFRSBDPSA-N 2 2 283.416 0.698 20 0 CCADLP CCCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001046218579 851427060 /nfs/dbraw/zinc/42/70/60/851427060.db2.gz LDOSDKBWHCXIEI-HIFRSBDPSA-N 2 2 283.416 0.698 20 0 CCADLP CCCC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001046218579 851427062 /nfs/dbraw/zinc/42/70/62/851427062.db2.gz LDOSDKBWHCXIEI-HIFRSBDPSA-N 2 2 283.416 0.698 20 0 CCADLP CCCC[NH+]1CC[C@](C)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001046218579 851427064 /nfs/dbraw/zinc/42/70/64/851427064.db2.gz LDOSDKBWHCXIEI-HIFRSBDPSA-N 2 2 283.416 0.698 20 0 CCADLP CC(C)=CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001046217507 851427953 /nfs/dbraw/zinc/42/79/53/851427953.db2.gz HINBRQFIISROKZ-HOCLYGCPSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)=CC[NH+]1CC[C@](C)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001046217507 851427960 /nfs/dbraw/zinc/42/79/60/851427960.db2.gz HINBRQFIISROKZ-HOCLYGCPSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)=CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046217507 851427968 /nfs/dbraw/zinc/42/79/68/851427968.db2.gz HINBRQFIISROKZ-HOCLYGCPSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)=CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001046217507 851427972 /nfs/dbraw/zinc/42/79/72/851427972.db2.gz HINBRQFIISROKZ-HOCLYGCPSA-N 2 2 295.427 0.864 20 0 CCADLP CC[C@@H](C(=O)NCCN(C)c1cc[nH+]c(C)n1)[NH+](C)C ZINC001100326580 851818021 /nfs/dbraw/zinc/81/80/21/851818021.db2.gz CYPNPQHJTONTRU-LBPRGKRZSA-N 2 2 279.388 0.678 20 0 CCADLP 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0.581 20 0 CCADLP CC(C)[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCCO1 ZINC001078412282 898373869 /nfs/dbraw/zinc/37/38/69/898373869.db2.gz XTNBUCZTCOSVNW-CQSZACIVSA-N 2 2 294.399 0.958 20 0 CCADLP CC(C)[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCCO1 ZINC001078412282 898373880 /nfs/dbraw/zinc/37/38/80/898373880.db2.gz XTNBUCZTCOSVNW-CQSZACIVSA-N 2 2 294.399 0.958 20 0 CCADLP CC(C)CC[NH2+]C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001486307619 898771025 /nfs/dbraw/zinc/77/10/25/898771025.db2.gz SNJJZUOMOIRWJK-LBPRGKRZSA-N 2 2 282.388 0.407 20 0 CCADLP CO[C@H](C)C[NH+]1CC([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001409950883 898966151 /nfs/dbraw/zinc/96/61/51/898966151.db2.gz WZSLCRBDWBCOBQ-GHMZBOCLSA-N 2 2 280.372 0.424 20 0 CCADLP C[NH+](C)Cc1cnc(C[N@H+]2C[C@H](CCO)[C@H](CO)C2)s1 ZINC001364735094 899033154 /nfs/dbraw/zinc/03/31/54/899033154.db2.gz RCKVRWKVLUGXDZ-RYUDHWBXSA-N 2 2 299.440 0.627 20 0 CCADLP C[NH+](C)Cc1cnc(C[N@@H+]2C[C@H](CCO)[C@H](CO)C2)s1 ZINC001364735094 899033166 /nfs/dbraw/zinc/03/31/66/899033166.db2.gz RCKVRWKVLUGXDZ-RYUDHWBXSA-N 2 2 299.440 0.627 20 0 CCADLP C[C@H](O)C[NH2+][C@@H](C)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001410433098 899403742 /nfs/dbraw/zinc/40/37/42/899403742.db2.gz RNIOSTAZNKIHBO-RYUDHWBXSA-N 2 2 290.367 0.765 20 0 CCADLP CC[C@@H](C)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001411131564 899696080 /nfs/dbraw/zinc/69/60/80/899696080.db2.gz ZZPBVRWTUKHACZ-YPMHNXCESA-N 2 2 296.415 0.716 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CCC[C@@H]1CCOC1 ZINC001134397470 899833591 /nfs/dbraw/zinc/83/35/91/899833591.db2.gz NVSVEVOOUBBILB-GFCCVEGCSA-N 2 2 280.372 0.475 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[C@@H]([NH2+]C[C@@H](C)O)C1 ZINC001488966556 900420494 /nfs/dbraw/zinc/42/04/94/900420494.db2.gz SYSVALSDRHBQSU-KGYLQXTDSA-N 2 2 294.399 0.516 20 0 CCADLP C[C@H](O)CCC[NH2+]CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001317642123 900740765 /nfs/dbraw/zinc/74/07/65/900740765.db2.gz OWLUTEGZTITJJE-NSHDSACASA-N 2 2 268.361 0.161 20 0 CCADLP CC[C@@H](C(=O)N1CC([NH+](C)C)C1)[N@@H+]1CCO[C@@H](CC)C1 ZINC001411986091 901375457 /nfs/dbraw/zinc/37/54/57/901375457.db2.gz GYTSNDBKJDKOME-KBPBESRZSA-N 2 2 283.416 0.648 20 0 CCADLP CC[C@@H](C(=O)N1CC([NH+](C)C)C1)[N@H+]1CCO[C@@H](CC)C1 ZINC001411986091 901375467 /nfs/dbraw/zinc/37/54/67/901375467.db2.gz GYTSNDBKJDKOME-KBPBESRZSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]CC[C@H]1CCCO1 ZINC001495748811 902105030 /nfs/dbraw/zinc/10/50/30/902105030.db2.gz SRIJCGVEXIJDAE-GXTWGEPZSA-N 2 2 294.399 0.863 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC001413680788 903176439 /nfs/dbraw/zinc/17/64/39/903176439.db2.gz HLBSUCQRUAVQTK-KGLIPLIRSA-N 2 2 291.399 0.889 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC001413680788 903176447 /nfs/dbraw/zinc/17/64/47/903176447.db2.gz HLBSUCQRUAVQTK-KGLIPLIRSA-N 2 2 291.399 0.889 20 0 CCADLP CCC[NH2+][C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001491038646 903303847 /nfs/dbraw/zinc/30/38/47/903303847.db2.gz DIQDCNWFYOCXAZ-TXEJJXNPSA-N 2 2 250.346 0.920 20 0 CCADLP C[C@H](CC(=O)NC1CCC([NH2+]CCO)CC1)n1cc[nH+]c1 ZINC001491363984 903508373 /nfs/dbraw/zinc/50/83/73/903508373.db2.gz LJVIUKKDKSWCOF-IYXRBSQSSA-N 2 2 294.399 0.844 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NC1CCC([NH2+]CCO)CC1 ZINC001491359803 903508480 /nfs/dbraw/zinc/50/84/80/903508480.db2.gz UQDRYRKYVUPPDN-UHFFFAOYSA-N 2 2 294.399 0.362 20 0 CCADLP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1csnn1 ZINC001491478151 903616291 /nfs/dbraw/zinc/61/62/91/903616291.db2.gz OVZWXHCSZPGPNN-JTQLQIEISA-N 2 2 297.428 0.617 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CC1CC1 ZINC001491508173 903627846 /nfs/dbraw/zinc/62/78/46/903627846.db2.gz PEGDYTVCINZFCR-DGCLKSJQSA-N 2 2 276.384 0.950 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001413819496 903696701 /nfs/dbraw/zinc/69/67/01/903696701.db2.gz WTBDFOSNDLOHAU-MQLXINIDSA-N 2 2 288.395 0.980 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001413819496 903696706 /nfs/dbraw/zinc/69/67/06/903696706.db2.gz WTBDFOSNDLOHAU-MQLXINIDSA-N 2 2 288.395 0.980 20 0 CCADLP COCC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001327887490 914833161 /nfs/dbraw/zinc/83/31/61/914833161.db2.gz XMEBECKFXFKOGE-QWHCGFSZSA-N 2 2 280.372 0.356 20 0 CCADLP CC(C)[NH2+]CC1(O)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001377357078 904801736 /nfs/dbraw/zinc/80/17/36/904801736.db2.gz XECMGUYGVQRRSH-UHFFFAOYSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@H](CN(C)C(=O)CCc1c[nH]c[nH+]1)[NH2+]CCF ZINC001283623021 904933692 /nfs/dbraw/zinc/93/36/92/904933692.db2.gz SVNJCXVTMQEHQK-SNVBAGLBSA-N 2 2 256.325 0.748 20 0 CCADLP C[C@H](CN(C)C(=O)CCc1c[nH+]c[nH]1)[NH2+]CCF ZINC001283623021 904933706 /nfs/dbraw/zinc/93/37/06/904933706.db2.gz SVNJCXVTMQEHQK-SNVBAGLBSA-N 2 2 256.325 0.748 20 0 CCADLP COC[C@H](C)[NH2+][C@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001283691254 904960453 /nfs/dbraw/zinc/96/04/53/904960453.db2.gz LFHCYMIGFMKVBK-MNOVXSKESA-N 2 2 268.361 0.424 20 0 CCADLP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1csnn1 ZINC001377532926 904972905 /nfs/dbraw/zinc/97/29/05/904972905.db2.gz FMHOQPJVBYRMCH-JTQLQIEISA-N 2 2 294.384 0.419 20 0 CCADLP C[C@H](O)C[N@H+](C)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001377672418 905080309 /nfs/dbraw/zinc/08/03/09/905080309.db2.gz HBBBVYOORVGYJB-QWHCGFSZSA-N 2 2 280.372 0.187 20 0 CCADLP C[C@H](O)C[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001377672418 905080330 /nfs/dbraw/zinc/08/03/30/905080330.db2.gz HBBBVYOORVGYJB-QWHCGFSZSA-N 2 2 280.372 0.187 20 0 CCADLP COCC[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001377675040 905091646 /nfs/dbraw/zinc/09/16/46/905091646.db2.gz VXTROXGMORLXFE-ZDUSSCGKSA-N 2 2 294.399 0.830 20 0 CCADLP COCC[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001377675040 905091627 /nfs/dbraw/zinc/09/16/27/905091627.db2.gz VXTROXGMORLXFE-ZDUSSCGKSA-N 2 2 294.399 0.830 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](C[N@H+](C)CCO)C1 ZINC001377758038 905140348 /nfs/dbraw/zinc/14/03/48/905140348.db2.gz FQLHVUFUJDKVFK-QWHCGFSZSA-N 2 2 294.399 0.361 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](C[N@@H+](C)CCO)C1 ZINC001377758038 905140363 /nfs/dbraw/zinc/14/03/63/905140363.db2.gz FQLHVUFUJDKVFK-QWHCGFSZSA-N 2 2 294.399 0.361 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](C[N@H+](C)CCO)C1 ZINC001377758038 905140370 /nfs/dbraw/zinc/14/03/70/905140370.db2.gz FQLHVUFUJDKVFK-QWHCGFSZSA-N 2 2 294.399 0.361 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](C[N@@H+](C)CCO)C1 ZINC001377758038 905140378 /nfs/dbraw/zinc/14/03/78/905140378.db2.gz FQLHVUFUJDKVFK-QWHCGFSZSA-N 2 2 294.399 0.361 20 0 CCADLP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2cncn2C)C1)[NH+](C)C ZINC001378131135 905442669 /nfs/dbraw/zinc/44/26/69/905442669.db2.gz ULPUXZPXZBYCGK-OCCSQVGLSA-N 2 2 293.415 0.451 20 0 CCADLP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2cncn2C)C1)[NH+](C)C ZINC001378131135 905442673 /nfs/dbraw/zinc/44/26/73/905442673.db2.gz ULPUXZPXZBYCGK-OCCSQVGLSA-N 2 2 293.415 0.451 20 0 CCADLP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nnc(C)o1 ZINC001378347924 905604807 /nfs/dbraw/zinc/60/48/07/905604807.db2.gz WWXDKBGHBBPWMO-NWDGAFQWSA-N 2 2 295.387 0.314 20 0 CCADLP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1nnc(C)o1 ZINC001378347924 905604813 /nfs/dbraw/zinc/60/48/13/905604813.db2.gz WWXDKBGHBBPWMO-NWDGAFQWSA-N 2 2 295.387 0.314 20 0 CCADLP COC[C@H](C)[NH2+]C[C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001378621991 905715392 /nfs/dbraw/zinc/71/53/92/905715392.db2.gz HZFWIGHPUKEQDH-MNOVXSKESA-N 2 2 282.388 0.637 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNc1nccnc1C[NH3+] ZINC001337221750 921219254 /nfs/dbraw/zinc/21/92/54/921219254.db2.gz SBDPVLYGQJDFHP-UHFFFAOYSA-N 3 2 266.393 0.231 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNc1nccnc1C[NH3+] ZINC001337221750 921219252 /nfs/dbraw/zinc/21/92/52/921219252.db2.gz SBDPVLYGQJDFHP-UHFFFAOYSA-N 3 2 266.393 0.231 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1([NH2+]C[C@@H]2CCCCO2)CC1 ZINC001380167638 906664971 /nfs/dbraw/zinc/66/49/71/906664971.db2.gz JUILCEZBOFCPDE-ZDUSSCGKSA-N 2 2 292.383 0.691 20 0 CCADLP CC(C)CC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001380581634 906837181 /nfs/dbraw/zinc/83/71/81/906837181.db2.gz OMHCJHRCXJLQTQ-ZDUSSCGKSA-N 2 2 283.416 0.290 20 0 CCADLP CC(C)CC[NH+]1CC(O)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001380581634 906837191 /nfs/dbraw/zinc/83/71/91/906837191.db2.gz OMHCJHRCXJLQTQ-ZDUSSCGKSA-N 2 2 283.416 0.290 20 0 CCADLP C[C@H]([C@H](C)Nc1cc[nH+]c(N)n1)[NH+]1CCOCC1 ZINC001337851378 921298621 /nfs/dbraw/zinc/29/86/21/921298621.db2.gz NORTXEDHRGJYIQ-VHSXEESVSA-N 2 2 251.334 0.580 20 0 CCADLP CO[C@@H](C)C[N@H+](C)[C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001381626839 907338675 /nfs/dbraw/zinc/33/86/75/907338675.db2.gz PMXJFPYHUOWHJC-QWRGUYRKSA-N 2 2 282.388 0.732 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)[C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001381626839 907338691 /nfs/dbraw/zinc/33/86/91/907338691.db2.gz PMXJFPYHUOWHJC-QWRGUYRKSA-N 2 2 282.388 0.732 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC1(CCO)C[NH+](CC)C1 ZINC001381665014 907360569 /nfs/dbraw/zinc/36/05/69/907360569.db2.gz RBLPPMUHTQBWFN-CYBMUJFWSA-N 2 2 283.416 0.434 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+]CCn1cccn1 ZINC001491650027 907483675 /nfs/dbraw/zinc/48/36/75/907483675.db2.gz KALDQAGQSQZZHT-NSHDSACASA-N 2 2 290.371 0.252 20 0 CCADLP Cc1nc(C[NH2+][C@H](C)CNC(=O)Cn2cc[nH+]c2)cs1 ZINC001491694690 907506655 /nfs/dbraw/zinc/50/66/55/907506655.db2.gz SIEHBWCNCRRQGT-SNVBAGLBSA-N 2 2 293.396 0.943 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCC[C@@H](C)[NH2+]CCO)c[nH+]1 ZINC001492041054 907682587 /nfs/dbraw/zinc/68/25/87/907682587.db2.gz BNXWDJMBMKWOAW-LLVKDONJSA-N 2 2 282.388 0.403 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCC[C@H]1CCC[N@H+]1CCO ZINC001492163552 907721291 /nfs/dbraw/zinc/72/12/91/907721291.db2.gz KGDLASHNEDWKLI-AWEZNQCLSA-N 2 2 294.399 0.626 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCC[C@H]1CCC[N@@H+]1CCO ZINC001492163552 907721299 /nfs/dbraw/zinc/72/12/99/907721299.db2.gz KGDLASHNEDWKLI-AWEZNQCLSA-N 2 2 294.399 0.626 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[N@@H+](C)Cc1ccns1 ZINC001492342123 907894122 /nfs/dbraw/zinc/89/41/22/907894122.db2.gz KCUOWFOXGXRTNU-UHFFFAOYSA-N 2 2 293.396 0.896 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[N@H+](C)Cc1ccns1 ZINC001492342123 907894133 /nfs/dbraw/zinc/89/41/33/907894133.db2.gz KCUOWFOXGXRTNU-UHFFFAOYSA-N 2 2 293.396 0.896 20 0 CCADLP C[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)Cn1cc[nH+]c1 ZINC001338463868 908212256 /nfs/dbraw/zinc/21/22/56/908212256.db2.gz XJXCAPDWIOTAFQ-KGLIPLIRSA-N 3 2 266.389 0.566 20 0 CCADLP C[C@@H]1NC(=O)N(CC[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)C1=O ZINC001307517327 908320303 /nfs/dbraw/zinc/32/03/03/908320303.db2.gz YBWOZLAEBCAQDZ-WOPDTQHZSA-N 2 2 282.388 0.341 20 0 CCADLP C[C@@H]1NC(=O)N(CC[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)C1=O ZINC001307517327 908320316 /nfs/dbraw/zinc/32/03/16/908320316.db2.gz YBWOZLAEBCAQDZ-WOPDTQHZSA-N 2 2 282.388 0.341 20 0 CCADLP C[C@@H]1NC(=O)N(CC[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)C1=O ZINC001307517327 908320329 /nfs/dbraw/zinc/32/03/29/908320329.db2.gz YBWOZLAEBCAQDZ-WOPDTQHZSA-N 2 2 282.388 0.341 20 0 CCADLP C[C@@H]1NC(=O)N(CC[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)C1=O ZINC001307517327 908320344 /nfs/dbraw/zinc/32/03/44/908320344.db2.gz YBWOZLAEBCAQDZ-WOPDTQHZSA-N 2 2 282.388 0.341 20 0 CCADLP C[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001341354076 908587622 /nfs/dbraw/zinc/58/76/22/908587622.db2.gz POCAEPIFUYIXBH-JTQLQIEISA-N 2 2 250.346 0.755 20 0 CCADLP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCF)[C@@H]1C)[NH+](C)C ZINC001316796394 908773037 /nfs/dbraw/zinc/77/30/37/908773037.db2.gz LHFQVLSWWVXFKY-GRYCIOLGSA-N 2 2 259.369 0.875 20 0 CCADLP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CCF)[C@@H]1C)[NH+](C)C ZINC001316796394 908773042 /nfs/dbraw/zinc/77/30/42/908773042.db2.gz LHFQVLSWWVXFKY-GRYCIOLGSA-N 2 2 259.369 0.875 20 0 CCADLP CCOCC[NH+]1CCC(N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001316935854 908851247 /nfs/dbraw/zinc/85/12/47/908851247.db2.gz QVXLRRJAAJYFDY-UHFFFAOYSA-N 2 2 294.399 0.912 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001317069219 908955749 /nfs/dbraw/zinc/95/57/49/908955749.db2.gz LOYNVNJUDPDHQH-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP CC(C)OCC[NH2+][C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001317273009 909108148 /nfs/dbraw/zinc/10/81/48/909108148.db2.gz SYULCTYHBWIGDE-LLVKDONJSA-N 2 2 268.361 0.472 20 0 CCADLP CC[N@@H+](C)CCNC(=O)Cc1c[nH+]ccc1OC ZINC001317449892 909220255 /nfs/dbraw/zinc/22/02/55/909220255.db2.gz ZSMQXRXGIILXDO-UHFFFAOYSA-N 2 2 251.330 0.701 20 0 CCADLP CC[N@H+](C)CCNC(=O)Cc1c[nH+]ccc1OC ZINC001317449892 909220241 /nfs/dbraw/zinc/22/02/41/909220241.db2.gz ZSMQXRXGIILXDO-UHFFFAOYSA-N 2 2 251.330 0.701 20 0 CCADLP COCCCC[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001317527510 909296131 /nfs/dbraw/zinc/29/61/31/909296131.db2.gz DLJUYDSVJNYEBA-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP COCCCC[N@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001317527510 909296144 /nfs/dbraw/zinc/29/61/44/909296144.db2.gz DLJUYDSVJNYEBA-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP CCc1cnc(C[NH2+]CCN(C)C(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001317572217 909358398 /nfs/dbraw/zinc/35/83/98/909358398.db2.gz BUPODCMRJUPXSO-CYBMUJFWSA-N 2 2 294.399 0.879 20 0 CCADLP CCc1cnc(C[NH2+]CCN(C)C(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001317572217 909358416 /nfs/dbraw/zinc/35/84/16/909358416.db2.gz BUPODCMRJUPXSO-CYBMUJFWSA-N 2 2 294.399 0.879 20 0 CCADLP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC001338505960 921491500 /nfs/dbraw/zinc/49/15/00/921491500.db2.gz UAQGBSCBWKTUGS-GOEBONIOSA-N 3 2 298.475 0.057 20 0 CCADLP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC001338505960 921491511 /nfs/dbraw/zinc/49/15/11/921491511.db2.gz UAQGBSCBWKTUGS-GOEBONIOSA-N 3 2 298.475 0.057 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCc1[nH+]ccn1C ZINC001388641790 909528754 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O=C(Cn1cc[nH+]c1)NC[C@H]([NH2+]Cc1ccccn1)C1CC1 ZINC001389685704 910032247 /nfs/dbraw/zinc/03/22/47/910032247.db2.gz GNGOTPHTDNQJNX-HNNXBMFYSA-N 2 2 299.378 0.963 20 0 CCADLP COCC[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CCCC1 ZINC001319385657 910127810 /nfs/dbraw/zinc/12/78/10/910127810.db2.gz OXHFGJKHOKOINW-UHFFFAOYSA-N 2 2 294.399 0.628 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCC[N@H+](CCCO)C1 ZINC001390055908 910209319 /nfs/dbraw/zinc/20/93/19/910209319.db2.gz DAUVDEJWHFNWIS-ZDUSSCGKSA-N 2 2 294.399 0.471 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCC[N@@H+](CCCO)C1 ZINC001390055908 910209340 /nfs/dbraw/zinc/20/93/40/910209340.db2.gz DAUVDEJWHFNWIS-ZDUSSCGKSA-N 2 2 294.399 0.471 20 0 CCADLP COCC[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001390136547 910238259 /nfs/dbraw/zinc/23/82/59/910238259.db2.gz DZUNNQQZPQTEDO-CYBMUJFWSA-N 2 2 294.399 0.878 20 0 CCADLP COCC[N@H+]1CCCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001390136547 910238268 /nfs/dbraw/zinc/23/82/68/910238268.db2.gz DZUNNQQZPQTEDO-CYBMUJFWSA-N 2 2 294.399 0.878 20 0 CCADLP C[C@H](O)C[NH2+]CC[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001319779846 910289403 /nfs/dbraw/zinc/28/94/03/910289403.db2.gz WKGNGNCMESVHKK-GXTWGEPZSA-N 2 2 294.399 0.694 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCCC[C@H]1CC[NH2+]CCO ZINC001319781466 910294464 /nfs/dbraw/zinc/29/44/64/910294464.db2.gz RAZHILWYMDGSPV-LBPRGKRZSA-N 2 2 280.372 0.305 20 0 CCADLP C[C@@H](C(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C)n1cc[nH+]c1 ZINC001319946674 910367985 /nfs/dbraw/zinc/36/79/85/910367985.db2.gz CLMUTAZFSPPCQX-WOPDTQHZSA-N 2 2 250.346 0.995 20 0 CCADLP C[C@@H](C(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C)n1cc[nH+]c1 ZINC001319946674 910367999 /nfs/dbraw/zinc/36/79/99/910367999.db2.gz CLMUTAZFSPPCQX-WOPDTQHZSA-N 2 2 250.346 0.995 20 0 CCADLP C[C@H](C(=O)N1CC[C@@H](C[NH+](C)C)C1)n1cc[nH+]c1 ZINC001320070059 910448051 /nfs/dbraw/zinc/44/80/51/910448051.db2.gz DOEHITXVDCNXGN-NEPJUHHUSA-N 2 2 250.346 0.854 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCC[C@H]1C[NH2+]CCO 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CC[C@H](C(=O)NCC[N@@H+](C)Cc1conc1C)[NH+](C)C ZINC001390779934 910671164 /nfs/dbraw/zinc/67/11/64/910671164.db2.gz YKSMQVDSXJTKDV-CYBMUJFWSA-N 2 2 282.388 0.871 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1CC[N@H+](CCCO)C1 ZINC001391335028 911050063 /nfs/dbraw/zinc/05/00/63/911050063.db2.gz GFBIPOPUWPMRGL-CYBMUJFWSA-N 2 2 294.399 0.471 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1CC[N@@H+](CCCO)C1 ZINC001391335028 911050079 /nfs/dbraw/zinc/05/00/79/911050079.db2.gz GFBIPOPUWPMRGL-CYBMUJFWSA-N 2 2 294.399 0.471 20 0 CCADLP C[C@H](CC(=O)NC1C[NH+](C[C@@H]2CCOC2)C1)n1cc[nH+]c1 ZINC001391447667 911139083 /nfs/dbraw/zinc/13/90/83/911139083.db2.gz LZWCUZKQXBLURL-OLZOCXBDSA-N 2 2 292.383 0.671 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC1C[NH+](CCC[C@H](C)O)C1 ZINC001391516804 911190534 /nfs/dbraw/zinc/19/05/34/911190534.db2.gz PJOACWXODVEDIQ-NSHDSACASA-N 2 2 294.399 0.470 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC/C=C\C[NH2+]Cc1cncs1 ZINC001321431642 911295657 /nfs/dbraw/zinc/29/56/57/911295657.db2.gz 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911789156 /nfs/dbraw/zinc/78/91/56/911789156.db2.gz LYJFVGLHPZLJDQ-GXFFZTMASA-N 2 2 280.372 0.065 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](O)C[NH2+]CC1CC1 ZINC001392408845 911789167 /nfs/dbraw/zinc/78/91/67/911789167.db2.gz LYJFVGLHPZLJDQ-GXFFZTMASA-N 2 2 280.372 0.065 20 0 CCADLP CCN(CC[NH2+][C@@H](C)C(N)=O)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001392455220 911813344 /nfs/dbraw/zinc/81/33/44/911813344.db2.gz RTJMECWUTRNUIQ-RYUDHWBXSA-N 2 2 295.387 0.146 20 0 CCADLP CN(CCC[NH2+]C[C@H]1CCCOC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001322712378 911924995 /nfs/dbraw/zinc/92/49/95/911924995.db2.gz ZCBMWYIASVXKEJ-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP C[C@@H](C[NH2+]CC1CCOCC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001392594354 911972185 /nfs/dbraw/zinc/97/21/85/911972185.db2.gz PEJJIQVQZNXBNO-NSHDSACASA-N 2 2 280.372 0.473 20 0 CCADLP CN(CCC[NH2+]Cc1ccn(C)n1)C(=O)Cn1cc[nH+]c1 ZINC001322853990 911989478 /nfs/dbraw/zinc/98/94/78/911989478.db2.gz IWAYBCMFHHGMSS-UHFFFAOYSA-N 2 2 290.371 0.255 20 0 CCADLP 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/nfs/dbraw/zinc/24/70/41/915247041.db2.gz NOAMEBZXLGJGNR-CHWSQXEVSA-N 2 2 282.388 0.917 20 0 CCADLP CC[C@H](F)C[N@H+](C)CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001399660202 915298826 /nfs/dbraw/zinc/29/88/26/915298826.db2.gz OMLVPMOXHKPUAS-QWHCGFSZSA-N 2 2 289.395 0.503 20 0 CCADLP CC[C@H](F)C[N@@H+](C)CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001399660202 915298843 /nfs/dbraw/zinc/29/88/43/915298843.db2.gz OMLVPMOXHKPUAS-QWHCGFSZSA-N 2 2 289.395 0.503 20 0 CCADLP CC[C@H](F)C[NH+](C)CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001399660202 915298857 /nfs/dbraw/zinc/29/88/57/915298857.db2.gz OMLVPMOXHKPUAS-QWHCGFSZSA-N 2 2 289.395 0.503 20 0 CCADLP CC[C@H](F)C[NH+](C)CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001399660202 915298877 /nfs/dbraw/zinc/29/88/77/915298877.db2.gz OMLVPMOXHKPUAS-QWHCGFSZSA-N 2 2 289.395 0.503 20 0 CCADLP CC[N@H+](CCCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001399718569 915346396 /nfs/dbraw/zinc/34/63/96/915346396.db2.gz DEFMFPXZJXFIKK-VXGBXAGGSA-N 2 2 280.372 0.334 20 0 CCADLP CC[N@@H+](CCCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001399718569 915346419 /nfs/dbraw/zinc/34/64/19/915346419.db2.gz DEFMFPXZJXFIKK-VXGBXAGGSA-N 2 2 280.372 0.334 20 0 CCADLP CC[N@H+](CCCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001399718569 915346441 /nfs/dbraw/zinc/34/64/41/915346441.db2.gz DEFMFPXZJXFIKK-VXGBXAGGSA-N 2 2 280.372 0.334 20 0 CCADLP CC[N@@H+](CCCO)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001399718569 915346462 /nfs/dbraw/zinc/34/64/62/915346462.db2.gz DEFMFPXZJXFIKK-VXGBXAGGSA-N 2 2 280.372 0.334 20 0 CCADLP [NH3+]CC1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001328721876 915382720 /nfs/dbraw/zinc/38/27/20/915382720.db2.gz PWKXKQIRQVCQAE-GFCCVEGCSA-N 2 2 262.357 0.643 20 0 CCADLP C[C@@H](O)C[N@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001400231100 915633555 /nfs/dbraw/zinc/63/35/55/915633555.db2.gz PNDRSJBSYNZOGI-VXGBXAGGSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001400231100 915633560 /nfs/dbraw/zinc/63/35/60/915633560.db2.gz PNDRSJBSYNZOGI-VXGBXAGGSA-N 2 2 280.372 0.113 20 0 CCADLP CC(C)OCC[NH+]1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001400391206 915725795 /nfs/dbraw/zinc/72/57/95/915725795.db2.gz GMPPGXKFPMBCIO-UHFFFAOYSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1C[NH+](CCF)C1 ZINC001400573643 915812684 /nfs/dbraw/zinc/81/26/84/915812684.db2.gz NQXXPXMNCVPDHU-RYUDHWBXSA-N 2 2 271.380 0.877 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001400610629 915829691 /nfs/dbraw/zinc/82/96/91/915829691.db2.gz ARIPDCNMOUAWGO-YPMHNXCESA-N 2 2 280.372 0.568 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001400610629 915829704 /nfs/dbraw/zinc/82/97/04/915829704.db2.gz ARIPDCNMOUAWGO-YPMHNXCESA-N 2 2 280.372 0.568 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001400610629 915829722 /nfs/dbraw/zinc/82/97/22/915829722.db2.gz ARIPDCNMOUAWGO-YPMHNXCESA-N 2 2 280.372 0.568 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001400610629 915829739 /nfs/dbraw/zinc/82/97/39/915829739.db2.gz ARIPDCNMOUAWGO-YPMHNXCESA-N 2 2 280.372 0.568 20 0 CCADLP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cncn1C ZINC001400870993 915970863 /nfs/dbraw/zinc/97/08/63/915970863.db2.gz WXZWPLPYRVSXOS-LLVKDONJSA-N 2 2 290.371 0.370 20 0 CCADLP Cc1ncoc1C[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001401267693 916155647 /nfs/dbraw/zinc/15/56/47/916155647.db2.gz QAUVUMPAESQEGC-NSHDSACASA-N 2 2 291.355 0.816 20 0 CCADLP C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@H]1[NH2+]CCO ZINC001401291733 916168286 /nfs/dbraw/zinc/16/82/86/916168286.db2.gz BTHXOEXCQDUQOI-UONOGXRCSA-N 2 2 294.399 0.482 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NC[C@H](O)C[NH2+]C(C)C ZINC001401538310 916308765 /nfs/dbraw/zinc/30/87/65/916308765.db2.gz KEYBUQSHRUOIBG-GFCCVEGCSA-N 2 2 281.356 0.108 20 0 CCADLP Cc1noc(C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C2CCC2)n1 ZINC001401628637 916408911 /nfs/dbraw/zinc/40/89/11/916408911.db2.gz YYONJZLBVSWBCB-SNVBAGLBSA-N 2 2 295.387 0.457 20 0 CCADLP Cc1noc(C[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)n1 ZINC001401628637 916408918 /nfs/dbraw/zinc/40/89/18/916408918.db2.gz YYONJZLBVSWBCB-SNVBAGLBSA-N 2 2 295.387 0.457 20 0 CCADLP C[C@@H](C[N@H+](C)CC[C@H]1CCCO1)NC(=O)Cn1cc[nH+]c1 ZINC001401823062 916617262 /nfs/dbraw/zinc/61/72/62/916617262.db2.gz ONSBLORYDOCSGT-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@@H](C[N@@H+](C)CC[C@H]1CCCO1)NC(=O)Cn1cc[nH+]c1 ZINC001401823062 916617270 /nfs/dbraw/zinc/61/72/70/916617270.db2.gz ONSBLORYDOCSGT-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP CC[C@@H](C(=O)N(C)C1CN(Cc2c[nH+]cn2C)C1)[NH+](C)C ZINC001402046614 916769408 /nfs/dbraw/zinc/76/94/08/916769408.db2.gz PDKUEIHLRXGSFC-AWEZNQCLSA-N 2 2 293.415 0.403 20 0 CCADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)CO2 ZINC001402678747 917168719 /nfs/dbraw/zinc/16/87/19/917168719.db2.gz DAKXPLPOGRSXQP-ZIAGYGMSSA-N 2 2 295.427 0.840 20 0 CCADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)CC[C@H]1CCC[N@H+]1C)CO2 ZINC001402678747 917168726 /nfs/dbraw/zinc/16/87/26/917168726.db2.gz DAKXPLPOGRSXQP-ZIAGYGMSSA-N 2 2 295.427 0.840 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001331315173 917256629 /nfs/dbraw/zinc/25/66/29/917256629.db2.gz NRMDCDLIBXNCED-UHFFFAOYSA-N 2 2 293.415 0.335 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccon1 ZINC001402992516 917405782 /nfs/dbraw/zinc/40/57/82/917405782.db2.gz BRNKVYMJDYFNBL-NEPJUHHUSA-N 2 2 291.355 0.863 20 0 CCADLP Cc1ncoc1C[NH2+][C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001403071472 917455202 /nfs/dbraw/zinc/45/52/02/917455202.db2.gz AJUGYRHAPXCXRI-JTQLQIEISA-N 2 2 291.355 0.554 20 0 CCADLP Cc1nn(C)cc1C[NH2+][C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001403069653 917455817 /nfs/dbraw/zinc/45/58/17/917455817.db2.gz MGXPIFZRHQOMKV-SNVBAGLBSA-N 2 2 290.371 0.289 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC1CCOCC1 ZINC001403071313 917456409 /nfs/dbraw/zinc/45/64/09/917456409.db2.gz OXLXREHHPPJLPC-LLVKDONJSA-N 2 2 280.372 0.473 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1cnnn1C)[NH+](C)C ZINC001403179394 917566255 /nfs/dbraw/zinc/56/62/55/917566255.db2.gz FJBRCBXOXNUTJE-YPMHNXCESA-N 2 2 296.419 0.092 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1cnnn1C)[NH+](C)C ZINC001403179394 917566269 /nfs/dbraw/zinc/56/62/69/917566269.db2.gz FJBRCBXOXNUTJE-YPMHNXCESA-N 2 2 296.419 0.092 20 0 CCADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC(N)=O ZINC001403183384 917567477 /nfs/dbraw/zinc/56/74/77/917567477.db2.gz BAOXBGOVGFOXPK-OLZOCXBDSA-N 2 2 298.431 0.171 20 0 CCADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC(N)=O ZINC001403183384 917567487 /nfs/dbraw/zinc/56/74/87/917567487.db2.gz BAOXBGOVGFOXPK-OLZOCXBDSA-N 2 2 298.431 0.171 20 0 CCADLP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CC(N)=O ZINC001403183384 917567500 /nfs/dbraw/zinc/56/75/00/917567500.db2.gz BAOXBGOVGFOXPK-OLZOCXBDSA-N 2 2 298.431 0.171 20 0 CCADLP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC(N)=O ZINC001403183384 917567509 /nfs/dbraw/zinc/56/75/09/917567509.db2.gz BAOXBGOVGFOXPK-OLZOCXBDSA-N 2 2 298.431 0.171 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+](CCO)C1CCOCC1 ZINC001331770083 917593984 /nfs/dbraw/zinc/59/39/84/917593984.db2.gz JDHAOPIXMHOTHM-UHFFFAOYSA-N 2 2 253.346 0.436 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+](CCO)C1CCOCC1 ZINC001331770083 917593990 /nfs/dbraw/zinc/59/39/90/917593990.db2.gz JDHAOPIXMHOTHM-UHFFFAOYSA-N 2 2 253.346 0.436 20 0 CCADLP Cn1cncc1C[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001403660387 917899685 /nfs/dbraw/zinc/89/96/85/917899685.db2.gz NCEBLEHAYZTSFH-CYBMUJFWSA-N 2 2 279.388 0.062 20 0 CCADLP Cn1cncc1C[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001403660387 917899699 /nfs/dbraw/zinc/89/96/99/917899699.db2.gz NCEBLEHAYZTSFH-CYBMUJFWSA-N 2 2 279.388 0.062 20 0 CCADLP Cn1cncc1C[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001403660387 917899714 /nfs/dbraw/zinc/89/97/14/917899714.db2.gz NCEBLEHAYZTSFH-CYBMUJFWSA-N 2 2 279.388 0.062 20 0 CCADLP Cn1cncc1C[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001403660387 917899722 /nfs/dbraw/zinc/89/97/22/917899722.db2.gz NCEBLEHAYZTSFH-CYBMUJFWSA-N 2 2 279.388 0.062 20 0 CCADLP CCC[N@H+](CCO)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001404131601 918217284 /nfs/dbraw/zinc/21/72/84/918217284.db2.gz GRLFOPHIRVVQKH-CYBMUJFWSA-N 2 2 294.399 0.266 20 0 CCADLP CCC[N@@H+](CCO)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001404131601 918217292 /nfs/dbraw/zinc/21/72/92/918217292.db2.gz GRLFOPHIRVVQKH-CYBMUJFWSA-N 2 2 294.399 0.266 20 0 CCADLP CC[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)c1csnn1)[NH+](C)C ZINC001404470991 918361595 /nfs/dbraw/zinc/36/15/95/918361595.db2.gz RLHVVIIDLPNXDY-JQWIXIFHSA-N 2 2 299.444 0.987 20 0 CCADLP [NH3+]CC[C@@H]1CC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001332815218 918454904 /nfs/dbraw/zinc/45/49/04/918454904.db2.gz FXBWWMLDUAZMAP-SNVBAGLBSA-N 2 2 261.329 0.193 20 0 CCADLP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC001332815218 918454913 /nfs/dbraw/zinc/45/49/13/918454913.db2.gz FXBWWMLDUAZMAP-SNVBAGLBSA-N 2 2 261.329 0.193 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[N@@H+]1C ZINC001332925086 918533776 /nfs/dbraw/zinc/53/37/76/918533776.db2.gz AHNOZWLWLUVJQP-KOLCDFICSA-N 2 2 266.345 0.559 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)CC[N@H+]1C ZINC001332925086 918533788 /nfs/dbraw/zinc/53/37/88/918533788.db2.gz AHNOZWLWLUVJQP-KOLCDFICSA-N 2 2 266.345 0.559 20 0 CCADLP O=C(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)NC1CC1 ZINC001332986371 918580247 /nfs/dbraw/zinc/58/02/47/918580247.db2.gz ZOIFFNAHKKPSDR-CYBMUJFWSA-N 2 2 267.373 0.108 20 0 CCADLP CCN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001405174641 918636676 /nfs/dbraw/zinc/63/66/76/918636676.db2.gz MPMLYPKRDDYIFU-QWHCGFSZSA-N 2 2 294.399 0.266 20 0 CCADLP CCN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001405174641 918636682 /nfs/dbraw/zinc/63/66/82/918636682.db2.gz MPMLYPKRDDYIFU-QWHCGFSZSA-N 2 2 294.399 0.266 20 0 CCADLP CC[C@H](CNC(=O)Cc1c[nH+]ccc1OC)[NH2+]CCO ZINC001405245525 918688436 /nfs/dbraw/zinc/68/84/36/918688436.db2.gz AAUDHKBDQOJRIP-GFCCVEGCSA-N 2 2 281.356 0.109 20 0 CCADLP C[C@@H]([NH2+]CCO)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001406000906 918991289 /nfs/dbraw/zinc/99/12/89/918991289.db2.gz QMSKCLHIMKSRNJ-OLZOCXBDSA-N 2 2 280.372 0.092 20 0 CCADLP OC1CC2(C[C@H]2[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC001333824048 919190037 /nfs/dbraw/zinc/19/00/37/919190037.db2.gz AIXNKHNOUAITMW-FEWQNLEASA-N 2 2 266.385 0.743 20 0 CCADLP C[C@@H](C[NH2+]Cc1cncs1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001406451327 919276270 /nfs/dbraw/zinc/27/62/70/919276270.db2.gz GWSLTMZPOAGVBC-CMPLNLGQSA-N 2 2 298.412 0.068 20 0 CCADLP C[C@@H](C[NH2+]Cc1cncs1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001406451327 919276283 /nfs/dbraw/zinc/27/62/83/919276283.db2.gz GWSLTMZPOAGVBC-CMPLNLGQSA-N 2 2 298.412 0.068 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001406509139 919310474 /nfs/dbraw/zinc/31/04/74/919310474.db2.gz CWTMWIKEVZKPNE-VHSXEESVSA-N 2 2 283.376 0.485 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cn(C)nn1 ZINC001334040109 919337682 /nfs/dbraw/zinc/33/76/82/919337682.db2.gz OBIDMZUIVRLSFF-VXGBXAGGSA-N 2 2 266.393 0.102 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cn(C)nn1 ZINC001334040103 919338959 /nfs/dbraw/zinc/33/89/59/919338959.db2.gz OBIDMZUIVRLSFF-NEPJUHHUSA-N 2 2 266.393 0.102 20 0 CCADLP COC[C@@H](C)[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001406958652 919557315 /nfs/dbraw/zinc/55/73/15/919557315.db2.gz QLZHELCRFPVQLY-GFCCVEGCSA-N 2 2 280.372 0.547 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+]CC[C@H]2CCCO2)CC1 ZINC001406984268 919565713 /nfs/dbraw/zinc/56/57/13/919565713.db2.gz XKEUHDJZQRELHX-GFCCVEGCSA-N 2 2 292.383 0.760 20 0 CCADLP OCCCC[NH+]1CCN(c2nccn3c[nH+]cc23)CC1 ZINC001334935209 919852681 /nfs/dbraw/zinc/85/26/81/919852681.db2.gz HQDNAPLLMIXGOW-UHFFFAOYSA-N 2 2 275.356 0.624 20 0 CCADLP C[NH+](C)CCCC(=O)NCC1([NH2+]Cc2cnon2)CCC1 ZINC001407794480 919894800 /nfs/dbraw/zinc/89/48/00/919894800.db2.gz AJOJPBLVZLSPIQ-UHFFFAOYSA-N 2 2 295.387 0.540 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC001335307523 920109608 /nfs/dbraw/zinc/10/96/08/920109608.db2.gz FIVJJXDYERYJPR-JFGNBEQYSA-N 2 2 266.345 0.163 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC001335307523 920109620 /nfs/dbraw/zinc/10/96/20/920109620.db2.gz FIVJJXDYERYJPR-JFGNBEQYSA-N 2 2 266.345 0.163 20 0 CCADLP C[N@H+](CCO)C[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001408342699 920155583 /nfs/dbraw/zinc/15/55/83/920155583.db2.gz UWQVOWAWEBFQLA-ZDUSSCGKSA-N 2 2 280.372 0.188 20 0 CCADLP C[N@@H+](CCO)C[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001408342699 920155593 /nfs/dbraw/zinc/15/55/93/920155593.db2.gz UWQVOWAWEBFQLA-ZDUSSCGKSA-N 2 2 280.372 0.188 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC001335443187 920196395 /nfs/dbraw/zinc/19/63/95/920196395.db2.gz CYZDZVXMQACBET-RDBSUJKOSA-N 2 2 274.405 0.330 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC001335443187 920196409 /nfs/dbraw/zinc/19/64/09/920196409.db2.gz CYZDZVXMQACBET-RDBSUJKOSA-N 2 2 274.405 0.330 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[NH2+]C1CC1 ZINC001335583258 920294833 /nfs/dbraw/zinc/29/48/33/920294833.db2.gz DSARQDZASOFETQ-LBPRGKRZSA-N 2 2 284.404 0.148 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)NC/C=C\C2CC2)CC1 ZINC001336099391 920608120 /nfs/dbraw/zinc/60/81/20/920608120.db2.gz HJKQEBJHEZDDOA-UPHRSURJSA-N 2 2 266.389 0.675 20 0 CCADLP C[C@H](CCCC[NH3+])NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336131996 920625738 /nfs/dbraw/zinc/62/57/38/920625738.db2.gz CQEYRXKRIDRFFT-GFCCVEGCSA-N 3 2 285.436 0.226 20 0 CCADLP CCOCC[NH+]1CCN(c2cc[nH+]c(N)n2)CC1 ZINC001336513655 920812001 /nfs/dbraw/zinc/81/20/01/920812001.db2.gz JZYDUMAOTSUDGU-UHFFFAOYSA-N 2 2 251.334 0.217 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C[NH3+])CC1 ZINC001336686796 920928769 /nfs/dbraw/zinc/92/87/69/920928769.db2.gz HRBDGFBHATVNKM-JTQLQIEISA-N 2 2 250.346 0.786 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C[NH3+])CC1 ZINC001336686796 920928778 /nfs/dbraw/zinc/92/87/78/920928778.db2.gz HRBDGFBHATVNKM-JTQLQIEISA-N 2 2 250.346 0.786 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001336742269 920972292 /nfs/dbraw/zinc/97/22/92/920972292.db2.gz NCHLSLGUEOMQJV-DCQANWLSSA-N 2 2 260.341 0.866 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001336742269 920972307 /nfs/dbraw/zinc/97/23/07/920972307.db2.gz NCHLSLGUEOMQJV-DCQANWLSSA-N 2 2 260.341 0.866 20 0 CCADLP CON(C)C(=O)CC[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001336800131 921018574 /nfs/dbraw/zinc/01/85/74/921018574.db2.gz OZGSMXICSFTKLU-LLVKDONJSA-N 2 2 257.378 0.859 20 0 CCADLP CON(C)C(=O)CC[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001336800131 921018583 /nfs/dbraw/zinc/01/85/83/921018583.db2.gz OZGSMXICSFTKLU-LLVKDONJSA-N 2 2 257.378 0.859 20 0 CCADLP CC(C)COC[C@@H](O)C[NH2+][C@@H]1Cc2c[nH+]cn2C1 ZINC001336827758 921044800 /nfs/dbraw/zinc/04/48/00/921044800.db2.gz BOMQFBMUBRAEFT-YPMHNXCESA-N 2 2 253.346 0.431 20 0 CCADLP C[C@@H]1CN(C(=O)NCc2c[nH+]cn2C)CC[C@H]1C[NH3+] ZINC001336893030 921086999 /nfs/dbraw/zinc/08/69/99/921086999.db2.gz DJUBHEAIWMWFTF-MNOVXSKESA-N 2 2 265.361 0.546 20 0 CCADLP C[NH+](C)Cc1csc(CNC(=O)NC/C=C\C[NH3+])n1 ZINC001336921266 921107296 /nfs/dbraw/zinc/10/72/96/921107296.db2.gz GCHVBUVXZBVYCF-ARJAWSKDSA-N 2 2 283.401 0.519 20 0 CCADLP CCc1nnc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001418209983 921916017 /nfs/dbraw/zinc/91/60/17/921916017.db2.gz GJAOSWVGNNDRPK-GHMZBOCLSA-N 2 2 295.387 0.321 20 0 CCADLP CCc1nnc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001418209983 921916027 /nfs/dbraw/zinc/91/60/27/921916027.db2.gz GJAOSWVGNNDRPK-GHMZBOCLSA-N 2 2 295.387 0.321 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)CC1CC([NH3+])C1 ZINC001340076679 921948629 /nfs/dbraw/zinc/94/86/29/921948629.db2.gz KEFOUALWXSYRHV-UHFFFAOYSA-N 2 2 269.389 0.341 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)CC1CC([NH3+])C1 ZINC001340076679 921948639 /nfs/dbraw/zinc/94/86/39/921948639.db2.gz KEFOUALWXSYRHV-UHFFFAOYSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ncccn1 ZINC001418242959 921956691 /nfs/dbraw/zinc/95/66/91/921956691.db2.gz IKNLRJULNRUAKP-CHWSQXEVSA-N 2 2 291.399 0.555 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1ncccn1 ZINC001418242959 921956706 /nfs/dbraw/zinc/95/67/06/921956706.db2.gz IKNLRJULNRUAKP-CHWSQXEVSA-N 2 2 291.399 0.555 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001418346712 922043080 /nfs/dbraw/zinc/04/30/80/922043080.db2.gz VQVGCEZYAVHTBH-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001418346712 922043097 /nfs/dbraw/zinc/04/30/97/922043097.db2.gz VQVGCEZYAVHTBH-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001418703128 922371405 /nfs/dbraw/zinc/37/14/05/922371405.db2.gz NRVFTLYCZVPUML-AVGNSLFASA-N 2 2 294.399 0.482 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)CC[NH2+][C@H](C)c1csnn1 ZINC001418843147 922448735 /nfs/dbraw/zinc/44/87/35/922448735.db2.gz XGKHTZMKQAIMCN-LLVKDONJSA-N 2 2 299.444 0.989 20 0 CCADLP CC[NH+](CC)C[C@H](F)C(=O)NC1C[NH+](C[C@H](C)OC)C1 ZINC001418967497 922523646 /nfs/dbraw/zinc/52/36/46/922523646.db2.gz FGMAPJCQENPXPF-AAEUAGOBSA-N 2 2 289.395 0.502 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)CC1CC([NH3+])C1 ZINC001341751546 922658900 /nfs/dbraw/zinc/65/89/00/922658900.db2.gz FMVXGHJCZDUBFQ-BPCQOVAHSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@]1(C[NH3+])CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001341765926 922662191 /nfs/dbraw/zinc/66/21/91/922662191.db2.gz KWHRWXWNAFWTNI-SMDDNHRTSA-N 2 2 262.357 0.643 20 0 CCADLP CC[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]C[C@@H]1CCOC1 ZINC001419263057 922739525 /nfs/dbraw/zinc/73/95/25/922739525.db2.gz NUXVVGKITNAZBP-QWHCGFSZSA-N 2 2 294.399 0.484 20 0 CCADLP Nc1ccoc1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001342461719 922972577 /nfs/dbraw/zinc/97/25/77/922972577.db2.gz MSMIDWYHXMEIIR-UHFFFAOYSA-N 2 2 252.318 0.015 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CCc1cnn(C)c1 ZINC001419891862 923152649 /nfs/dbraw/zinc/15/26/49/923152649.db2.gz HTGDWXDGZMIBFT-NSHDSACASA-N 2 2 290.371 0.023 20 0 CCADLP C[NH2+]C1CC(C(=O)NC[C@H](C)Cn2cc[nH+]c2)C1 ZINC001343394285 923295959 /nfs/dbraw/zinc/29/59/59/923295959.db2.gz LJXZYKQWZSWGCD-UNXYVOJBSA-N 2 2 250.346 0.633 20 0 CCADLP [NH3+][C@@H](CC(=O)N[C@H]1CC[NH2+]C12CCCC2)C(F)F ZINC001343879426 923490800 /nfs/dbraw/zinc/49/08/00/923490800.db2.gz DJCIPQKEPDJDPU-IUCAKERBSA-N 2 2 261.316 0.760 20 0 CCADLP C[NH+](C)[C@@H](C(=O)N1CC([NH2+]C2COC2)C1)c1ccccc1 ZINC001420297766 923518239 /nfs/dbraw/zinc/51/82/39/923518239.db2.gz JYBCYNANHQNSDR-OAHLLOKOSA-N 2 2 289.379 0.489 20 0 CCADLP Nc1cc[nH+]cc1C(=O)NCCCCC[NH+]1CCNCC1 ZINC001344919228 923733170 /nfs/dbraw/zinc/73/31/70/923733170.db2.gz DPHLZAMMECCQFR-UHFFFAOYSA-N 2 2 291.399 0.299 20 0 CCADLP CC(C)CNC(=O)C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC001345469834 923899672 /nfs/dbraw/zinc/89/96/72/923899672.db2.gz LPOYBHIOYXYCSS-JSGCOSHPSA-N 2 2 269.389 0.115 20 0 CCADLP CC1(CNC(=O)Cc2c[nH]c[nH+]2)CC[NH+](CCO)CC1 ZINC001421271372 924249643 /nfs/dbraw/zinc/24/96/43/924249643.db2.gz DLZCWJGWBKLEEQ-UHFFFAOYSA-N 2 2 280.372 0.163 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CC([NH+]2CCCC2)C1 ZINC001347318146 924421433 /nfs/dbraw/zinc/42/14/33/924421433.db2.gz SBHWWAAYMFQLDX-UHFFFAOYSA-N 2 2 262.357 0.659 20 0 CCADLP OC1CC[NH+](Cc2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC001352141084 925530480 /nfs/dbraw/zinc/53/04/80/925530480.db2.gz GWDYGXNWMBJICO-GFCCVEGCSA-N 2 2 265.361 0.159 20 0 CCADLP CN1C[C@H](C[N@@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)OC1=O ZINC001352926594 925675173 /nfs/dbraw/zinc/67/51/73/925675173.db2.gz XRAYMLMVORVBMU-UTUOFQBUSA-N 2 2 253.346 0.463 20 0 CCADLP CN1C[C@H](C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)OC1=O ZINC001352926594 925675178 /nfs/dbraw/zinc/67/51/78/925675178.db2.gz XRAYMLMVORVBMU-UTUOFQBUSA-N 2 2 253.346 0.463 20 0 CCADLP CN1C[C@H](C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)OC1=O ZINC001352926594 925675182 /nfs/dbraw/zinc/67/51/82/925675182.db2.gz XRAYMLMVORVBMU-UTUOFQBUSA-N 2 2 253.346 0.463 20 0 CCADLP CN1C[C@H](C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)OC1=O ZINC001352926594 925675191 /nfs/dbraw/zinc/67/51/91/925675191.db2.gz XRAYMLMVORVBMU-UTUOFQBUSA-N 2 2 253.346 0.463 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC001413856461 925772244 /nfs/dbraw/zinc/77/22/44/925772244.db2.gz RSMGCSLFBKFODO-AWEZNQCLSA-N 2 2 291.399 0.842 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CCC[N@H+]3CCC[C@H]3C2)c1 ZINC001413856461 925772252 /nfs/dbraw/zinc/77/22/52/925772252.db2.gz RSMGCSLFBKFODO-AWEZNQCLSA-N 2 2 291.399 0.842 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)CCC[NH2+]C ZINC001354854993 926174486 /nfs/dbraw/zinc/17/44/86/926174486.db2.gz WNUNCANXUYBHPS-LBPRGKRZSA-N 2 2 257.378 0.213 20 0 CCADLP C[C@](O)(C[NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccco1 ZINC001356609421 926410239 /nfs/dbraw/zinc/41/02/39/926410239.db2.gz NCCJTYRPFIBAES-JSGCOSHPSA-N 2 2 268.357 0.533 20 0 CCADLP C[NH+](C)Cc1csc(CNC(=O)NCC[NH2+]C2CC2)n1 ZINC001357434565 926531433 /nfs/dbraw/zinc/53/14/33/926531433.db2.gz IHCHFTWEHLFJPO-UHFFFAOYSA-N 2 2 297.428 0.756 20 0 CCADLP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C[C@H]([NH3+])C(F)F ZINC001357463053 926538894 /nfs/dbraw/zinc/53/88/94/926538894.db2.gz JMYCZDCPDDQIHR-FXQIFTODSA-N 2 2 253.268 0.127 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]CC1CCOCC1 ZINC001421730681 926878765 /nfs/dbraw/zinc/87/87/65/926878765.db2.gz WYAPCAVXICMCIE-LBPRGKRZSA-N 2 2 294.399 0.721 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]Cc1cnns1 ZINC001421746553 926889113 /nfs/dbraw/zinc/88/91/13/926889113.db2.gz LDTJBZNQKSNTBZ-SECBINFHSA-N 2 2 294.384 0.346 20 0 CCADLP C[C@H](O)C[NH2+]C1(CNC(=O)C[C@H](C)n2cc[nH+]c2)CCC1 ZINC001421782333 926909173 /nfs/dbraw/zinc/90/91/73/926909173.db2.gz XBRLPDMGXFZHFG-STQMWFEESA-N 2 2 294.399 0.844 20 0 CCADLP C[C@H](O)C[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001422249428 927175234 /nfs/dbraw/zinc/17/52/34/927175234.db2.gz OATAARKJIMGXHM-STQMWFEESA-N 2 2 294.399 0.266 20 0 CCADLP C[C@H](O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001422249428 927175241 /nfs/dbraw/zinc/17/52/41/927175241.db2.gz OATAARKJIMGXHM-STQMWFEESA-N 2 2 294.399 0.266 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2cn(C)nn2)C1 ZINC001422433952 927275859 /nfs/dbraw/zinc/27/58/59/927275859.db2.gz FWFPRIGUPVXBJI-KBPBESRZSA-N 2 2 295.431 0.696 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2cn(C)nn2)C1 ZINC001422433952 927275871 /nfs/dbraw/zinc/27/58/71/927275871.db2.gz FWFPRIGUPVXBJI-KBPBESRZSA-N 2 2 295.431 0.696 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](c2cn(C)nn2)C1 ZINC001422433952 927275885 /nfs/dbraw/zinc/27/58/85/927275885.db2.gz FWFPRIGUPVXBJI-KBPBESRZSA-N 2 2 295.431 0.696 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](c2cn(C)nn2)C1 ZINC001422433952 927275898 /nfs/dbraw/zinc/27/58/98/927275898.db2.gz FWFPRIGUPVXBJI-KBPBESRZSA-N 2 2 295.431 0.696 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)CC[NH+]2CC[C@H](F)C2)CCO1 ZINC001361889665 927425516 /nfs/dbraw/zinc/42/55/16/927425516.db2.gz VSYYKSFMGAPCNQ-STQMWFEESA-N 2 2 287.379 0.257 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)CC[NH+]2CC[C@H](F)C2)CCO1 ZINC001361889665 927425522 /nfs/dbraw/zinc/42/55/22/927425522.db2.gz VSYYKSFMGAPCNQ-STQMWFEESA-N 2 2 287.379 0.257 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)CC[N@@H+]2CC[C@H](F)C2)CCO1 ZINC001361889665 927425528 /nfs/dbraw/zinc/42/55/28/927425528.db2.gz VSYYKSFMGAPCNQ-STQMWFEESA-N 2 2 287.379 0.257 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)CC[N@H+]2CC[C@H](F)C2)CCO1 ZINC001361889665 927425537 /nfs/dbraw/zinc/42/55/37/927425537.db2.gz VSYYKSFMGAPCNQ-STQMWFEESA-N 2 2 287.379 0.257 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1[C@H]2C[N@H+](C(C)C)C[C@H]21 ZINC001422825704 927537461 /nfs/dbraw/zinc/53/74/61/927537461.db2.gz GCFOPLGYYFQIIZ-XYYAHUGASA-N 2 2 276.384 0.963 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1[C@H]2C[N@@H+](C(C)C)C[C@H]21 ZINC001422825704 927537474 /nfs/dbraw/zinc/53/74/74/927537474.db2.gz GCFOPLGYYFQIIZ-XYYAHUGASA-N 2 2 276.384 0.963 20 0 CCADLP CC(C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001422841964 927545173 /nfs/dbraw/zinc/54/51/73/927545173.db2.gz NLGLLNIVBCUWRO-ZSOGYDGISA-N 2 2 276.384 0.665 20 0 CCADLP CC(C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001422841964 927545182 /nfs/dbraw/zinc/54/51/82/927545182.db2.gz NLGLLNIVBCUWRO-ZSOGYDGISA-N 2 2 276.384 0.665 20 0 CCADLP C[NH+]1CCC(C[NH2+]Cc2ccn[nH]2)(N2CCOCC2)CC1 ZINC001422859291 927554124 /nfs/dbraw/zinc/55/41/24/927554124.db2.gz VZSCKFZUCUPOHX-UHFFFAOYSA-N 2 2 293.415 0.296 20 0 CCADLP C[C@H](C(=O)N[C@@H](C)C[N@H+](C)CC(N)=O)[NH+]1CCCCCC1 ZINC001422890269 927571735 /nfs/dbraw/zinc/57/17/35/927571735.db2.gz JPFVCMZORSOKKZ-QWHCGFSZSA-N 2 2 298.431 0.173 20 0 CCADLP C[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CC(N)=O)[NH+]1CCCCCC1 ZINC001422890269 927571736 /nfs/dbraw/zinc/57/17/36/927571736.db2.gz JPFVCMZORSOKKZ-QWHCGFSZSA-N 2 2 298.431 0.173 20 0 CCADLP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ncccn1 ZINC001423042407 927640443 /nfs/dbraw/zinc/64/04/43/927640443.db2.gz FATSKXIUSTWICG-STQMWFEESA-N 2 2 291.399 0.507 20 0 CCADLP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ncccn1 ZINC001423042407 927640444 /nfs/dbraw/zinc/64/04/44/927640444.db2.gz FATSKXIUSTWICG-STQMWFEESA-N 2 2 291.399 0.507 20 0 CCADLP C[C@@H](CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CCF ZINC001423075986 927662693 /nfs/dbraw/zinc/66/26/93/927662693.db2.gz JEIKGEVNGKZTTD-RYUDHWBXSA-N 2 2 282.363 0.852 20 0 CCADLP O=C(NCC1([NH2+]CCF)CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001423228975 927751959 /nfs/dbraw/zinc/75/19/59/927751959.db2.gz UFNUWWHIROLYHL-NSHDSACASA-N 2 2 280.347 0.653 20 0 CCADLP CC1CC(C[NH2+][C@H](CO)CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001423296380 927796496 /nfs/dbraw/zinc/79/64/96/927796496.db2.gz NTPJMTRMUOFPCT-BPCQOVAHSA-N 2 2 294.399 0.075 20 0 CCADLP C[C@@H]1CC[C@H](C[NH2+]C2(CNC(=O)Cn3cc[nH+]c3)CC2)O1 ZINC001423313753 927805324 /nfs/dbraw/zinc/80/53/24/927805324.db2.gz UYBFGTNEVKDNNK-CHWSQXEVSA-N 2 2 292.383 0.689 20 0 CCADLP CC[C@@H](C(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1)[NH+](C)C ZINC001362324312 927878450 /nfs/dbraw/zinc/87/84/50/927878450.db2.gz VUVBQZDLLIBBGC-QWHCGFSZSA-N 2 2 297.399 0.223 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001423482991 927887902 /nfs/dbraw/zinc/88/79/02/927887902.db2.gz LCTLHBQAWVWQKP-DGCLKSJQSA-N 2 2 280.372 0.568 20 0 CCADLP C[NH+](C)Cc1ccc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)o1 ZINC001362472117 928063944 /nfs/dbraw/zinc/06/39/44/928063944.db2.gz BFELAFNKXPFMPP-JTQLQIEISA-N 2 2 274.324 0.892 20 0 CCADLP CC(C)[C@@H](C(=O)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1)[NH+](C)C ZINC001362602110 928235439 /nfs/dbraw/zinc/23/54/39/928235439.db2.gz GUDBPMFFPKINGP-AVGNSLFASA-N 2 2 271.380 0.827 20 0 CCADLP CC(C)[C@@H](C(=O)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1)[NH+](C)C ZINC001362602110 928235451 /nfs/dbraw/zinc/23/54/51/928235451.db2.gz GUDBPMFFPKINGP-AVGNSLFASA-N 2 2 271.380 0.827 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CCCO)n1cc[nH+]c1 ZINC001362607117 928241705 /nfs/dbraw/zinc/24/17/05/928241705.db2.gz RPJGVLPSPKVYHN-CHWSQXEVSA-N 2 2 280.372 0.407 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCC[N@H+]1CCCO)n1cc[nH+]c1 ZINC001362607117 928241719 /nfs/dbraw/zinc/24/17/19/928241719.db2.gz RPJGVLPSPKVYHN-CHWSQXEVSA-N 2 2 280.372 0.407 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC001425439397 928550675 /nfs/dbraw/zinc/55/06/75/928550675.db2.gz XFKRSZHUQHDGMU-UHFFFAOYSA-N 2 2 294.399 0.268 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC001425439397 928550678 /nfs/dbraw/zinc/55/06/78/928550678.db2.gz XFKRSZHUQHDGMU-UHFFFAOYSA-N 2 2 294.399 0.268 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC001363203299 928972883 /nfs/dbraw/zinc/97/28/83/928972883.db2.gz GPWMAHYPKHSJIP-RDBSUJKOSA-N 2 2 295.427 0.696 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N[C@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC001363203299 928972890 /nfs/dbraw/zinc/97/28/90/928972890.db2.gz GPWMAHYPKHSJIP-RDBSUJKOSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@H](C[NH2+]CC(C)(C)S(C)(=O)=O)N1CC[NH+](C)CC1 ZINC001363355527 929142440 /nfs/dbraw/zinc/14/24/40/929142440.db2.gz DTJFNHRJVPKWEL-GFCCVEGCSA-N 2 2 291.461 0.035 20 0 CCADLP CCn1nc(C)c(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)n1 ZINC001363369744 929156292 /nfs/dbraw/zinc/15/62/92/929156292.db2.gz RXKKWMKVWSGLLW-LBPRGKRZSA-N 2 2 280.420 0.332 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001443516368 929633456 /nfs/dbraw/zinc/63/34/56/929633456.db2.gz CDBRZEIXUJPUIX-LLVKDONJSA-N 2 2 280.372 0.153 20 0 CCADLP C[C@@H](CC[NH+](C)C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC001443583131 929654705 /nfs/dbraw/zinc/65/47/05/929654705.db2.gz MSYGUSQSEFQFNO-STQMWFEESA-N 2 2 271.405 0.411 20 0 CCADLP C[C@@H](CC[NH+](C)C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC001443583131 929654715 /nfs/dbraw/zinc/65/47/15/929654715.db2.gz MSYGUSQSEFQFNO-STQMWFEESA-N 2 2 271.405 0.411 20 0 CCADLP Cc1ccncc1C[NH+]1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001443672015 929672386 /nfs/dbraw/zinc/67/23/86/929672386.db2.gz WSGQJXNVOXYBKB-UHFFFAOYSA-N 2 2 299.378 0.835 20 0 CCADLP CC[C@H](C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1)OC ZINC001443707846 929681736 /nfs/dbraw/zinc/68/17/36/929681736.db2.gz DPJHOUVCJHWNJQ-UONOGXRCSA-N 2 2 294.399 0.958 20 0 CCADLP CC[C@H](C[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1)OC ZINC001443707846 929681742 /nfs/dbraw/zinc/68/17/42/929681742.db2.gz DPJHOUVCJHWNJQ-UONOGXRCSA-N 2 2 294.399 0.958 20 0 CCADLP CC[C@H](C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1)OC ZINC001443707846 929681748 /nfs/dbraw/zinc/68/17/48/929681748.db2.gz DPJHOUVCJHWNJQ-UONOGXRCSA-N 2 2 294.399 0.958 20 0 CCADLP CC[C@H](C[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1)OC ZINC001443707846 929681756 /nfs/dbraw/zinc/68/17/56/929681756.db2.gz DPJHOUVCJHWNJQ-UONOGXRCSA-N 2 2 294.399 0.958 20 0 CCADLP C[N@H+](CCNC(=O)Cn1cc[nH+]c1)CC[C@H]1CCCO1 ZINC001372261178 929785619 /nfs/dbraw/zinc/78/56/19/929785619.db2.gz YAHORCRXEYVDTO-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP C[N@@H+](CCNC(=O)Cn1cc[nH+]c1)CC[C@H]1CCCO1 ZINC001372261178 929785635 /nfs/dbraw/zinc/78/56/35/929785635.db2.gz YAHORCRXEYVDTO-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)CC[NH+](C)Cc1cncn1C ZINC001445063211 930022917 /nfs/dbraw/zinc/02/29/17/930022917.db2.gz AGBVMRXTPJVVLJ-UHFFFAOYSA-N 2 2 295.431 0.652 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)CC[NH+](C)Cc1cncn1C ZINC001445063211 930022930 /nfs/dbraw/zinc/02/29/30/930022930.db2.gz AGBVMRXTPJVVLJ-UHFFFAOYSA-N 2 2 295.431 0.652 20 0 CCADLP CCC[NH+](C)CC(=O)N(C)CC[N@H+](C)Cc1cncn1C ZINC001445063211 930022935 /nfs/dbraw/zinc/02/29/35/930022935.db2.gz AGBVMRXTPJVVLJ-UHFFFAOYSA-N 2 2 295.431 0.652 20 0 CCADLP CCC[NH+](C)CC(=O)N(C)CC[N@@H+](C)Cc1cncn1C ZINC001445063211 930022947 /nfs/dbraw/zinc/02/29/47/930022947.db2.gz AGBVMRXTPJVVLJ-UHFFFAOYSA-N 2 2 295.431 0.652 20 0 CCADLP COCC[N@@H+]1CC[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001373241598 930111323 /nfs/dbraw/zinc/11/13/23/930111323.db2.gz QPACMWZWZZEQHB-LBPRGKRZSA-N 2 2 280.372 0.427 20 0 CCADLP COCC[N@H+]1CC[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001373241598 930111331 /nfs/dbraw/zinc/11/13/31/930111331.db2.gz QPACMWZWZZEQHB-LBPRGKRZSA-N 2 2 280.372 0.427 20 0 CCADLP C[C@@H](C[NH2+]CC1CC1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001445566887 930171741 /nfs/dbraw/zinc/17/17/41/930171741.db2.gz BYSFUNZZWXYMQW-AAEUAGOBSA-N 2 2 276.384 0.950 20 0 CCADLP Cc1nccnc1C[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001445669212 930204847 /nfs/dbraw/zinc/20/48/47/930204847.db2.gz UCJIULZYJHNECY-NSHDSACASA-N 2 2 288.355 0.276 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC1C[NH+](C[C@H]2CCOC2)C1 ZINC001373552096 930241351 /nfs/dbraw/zinc/24/13/51/930241351.db2.gz YYMNEFFIZVNCQZ-GFCCVEGCSA-N 2 2 292.383 0.047 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001373649146 930280989 /nfs/dbraw/zinc/28/09/89/930280989.db2.gz BMRLQUAPRKODFG-CHWSQXEVSA-N 2 2 294.399 0.578 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001373649146 930281000 /nfs/dbraw/zinc/28/10/00/930281000.db2.gz BMRLQUAPRKODFG-CHWSQXEVSA-N 2 2 294.399 0.578 20 0 CCADLP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](C[C@@H](C)OC)C1 ZINC001373709622 930305811 /nfs/dbraw/zinc/30/58/11/930305811.db2.gz UJDUVQLIDUQGGF-TZMCWYRMSA-N 2 2 294.399 0.910 20 0 CCADLP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](C[C@@H](C)OC)C1 ZINC001373709622 930305819 /nfs/dbraw/zinc/30/58/19/930305819.db2.gz UJDUVQLIDUQGGF-TZMCWYRMSA-N 2 2 294.399 0.910 20 0 CCADLP Cn1c[nH+]cc1CN1CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001446073982 930328360 /nfs/dbraw/zinc/32/83/60/930328360.db2.gz MMQVAAGACFTAEZ-ZDUSSCGKSA-N 2 2 293.415 0.452 20 0 CCADLP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC1CCOCC1 ZINC001373801330 930344470 /nfs/dbraw/zinc/34/44/70/930344470.db2.gz FKOUVNQHQDKSPN-CYBMUJFWSA-N 2 2 294.399 0.863 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N(C)C1C[NH+](CCC[C@@H](C)O)C1 ZINC001446370245 930400569 /nfs/dbraw/zinc/40/05/69/930400569.db2.gz FCRHFLMQJHFQMF-CYBMUJFWSA-N 2 2 294.399 0.495 20 0 CCADLP CC(C)C[N@@H+]1CCOC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001447143911 930577018 /nfs/dbraw/zinc/57/70/18/930577018.db2.gz SAOPWUJYSQFPNF-HNNXBMFYSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)C[N@H+]1CCOC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001447143911 930577023 /nfs/dbraw/zinc/57/70/23/930577023.db2.gz SAOPWUJYSQFPNF-HNNXBMFYSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)C[NH+]1CCOC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001447143911 930577028 /nfs/dbraw/zinc/57/70/28/930577028.db2.gz SAOPWUJYSQFPNF-HNNXBMFYSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)C[NH+]1CCOC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001447143911 930577031 /nfs/dbraw/zinc/57/70/31/930577031.db2.gz SAOPWUJYSQFPNF-HNNXBMFYSA-N 2 2 297.443 0.944 20 0 CCADLP CCN(CC[NH2+][C@H](C)c1nnc(C)o1)C(=O)CC[NH+](C)C ZINC001374759041 930650233 /nfs/dbraw/zinc/65/02/33/930650233.db2.gz TZZKONKGRQZHSS-LLVKDONJSA-N 2 2 297.403 0.829 20 0 CCADLP CC[C@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)c1nnc(C)o1)[NH+](C)C ZINC001374777469 930659175 /nfs/dbraw/zinc/65/91/75/930659175.db2.gz UHMZERSAWQQSLW-JFGNBEQYSA-N 2 2 297.403 0.874 20 0 CCADLP Cc1noc(C[NH2+]C[C@@H](C)NC(=O)Cn2c[nH+]cc2C)n1 ZINC001374789882 930665388 /nfs/dbraw/zinc/66/53/88/930665388.db2.gz MCFPUODKBPQHFS-SECBINFHSA-N 2 2 292.343 0.177 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001447634945 930675851 /nfs/dbraw/zinc/67/58/51/930675851.db2.gz YFLUHOFUSIORAZ-LLVKDONJSA-N 2 2 268.336 0.513 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)CC[N@H+]1CC[C@@H](F)C1 ZINC001447634945 930675855 /nfs/dbraw/zinc/67/58/55/930675855.db2.gz YFLUHOFUSIORAZ-LLVKDONJSA-N 2 2 268.336 0.513 20 0 CCADLP Cc1noc(C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C)n1 ZINC001374982421 930744712 /nfs/dbraw/zinc/74/47/12/930744712.db2.gz QFXROXWXKGVAFG-JTQLQIEISA-N 2 2 283.376 0.313 20 0 CCADLP Cc1noc(C[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)C(C)C)n1 ZINC001374982421 930744720 /nfs/dbraw/zinc/74/47/20/930744720.db2.gz QFXROXWXKGVAFG-JTQLQIEISA-N 2 2 283.376 0.313 20 0 CCADLP C[C@@H](O)C[NH2+]C1(CNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001375489252 930896713 /nfs/dbraw/zinc/89/67/13/930896713.db2.gz HBPUDIUKRXXWCJ-NWDGAFQWSA-N 2 2 280.372 0.453 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001375723806 930960975 /nfs/dbraw/zinc/96/09/75/930960975.db2.gz JWCKRYZCHYHKFN-OAHLLOKOSA-N 2 2 297.443 0.896 20 0 CCADLP CC1(NC(=O)CCn2cc[nH+]c2)CC[NH+](CCO)CC1 ZINC001375778638 930971031 /nfs/dbraw/zinc/97/10/31/930971031.db2.gz MJTIPJRQLCEAJL-UHFFFAOYSA-N 2 2 280.372 0.236 20 0 CCADLP CC[NH2+]C[C@H](O)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001449143111 931083555 /nfs/dbraw/zinc/08/35/55/931083555.db2.gz VTIRJFJQZJGBRB-NSHDSACASA-N 2 2 276.340 0.377 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001376577973 931184781 /nfs/dbraw/zinc/18/47/81/931184781.db2.gz WLSZHZWZMSXODX-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+]C[C@@H]1CCOC1 ZINC001376868543 931307631 /nfs/dbraw/zinc/30/76/31/931307631.db2.gz KIZOYRINETUGTI-OLZOCXBDSA-N 2 2 294.399 0.484 20 0 CCADLP C[C@H](O)C[NH2+][C@@H](C)CCNC(=O)CCc1[nH+]ccn1C ZINC001377061907 931371981 /nfs/dbraw/zinc/37/19/81/931371981.db2.gz REHBZTFTRQXMKZ-RYUDHWBXSA-N 2 2 282.388 0.218 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H](C)[NH2+]C[C@H]1CCOC1 ZINC001377093774 931377946 /nfs/dbraw/zinc/37/79/46/931377946.db2.gz FYTNOIQINZACEE-DGCLKSJQSA-N 2 2 294.399 0.782 20 0 CCADLP CC[C@H](CO)[NH+]1CCN([C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000091512610 349465902 /nfs/dbraw/zinc/46/59/02/349465902.db2.gz WUEPOHJTACGVRL-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP Cn1ccc(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000093046744 349522223 /nfs/dbraw/zinc/52/22/23/349522223.db2.gz AIWLWXTZWLYSOS-UHFFFAOYSA-N 2 2 290.411 0.765 20 0 CCADLP O=C(NCC[NH+]1CCOCC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000337550508 214151839 /nfs/dbraw/zinc/15/18/39/214151839.db2.gz PCYBUIBTPPLYEC-KGLIPLIRSA-N 2 2 296.415 0.245 20 0 CCADLP O=C(NCC[NH+]1CCOCC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000337550508 214151841 /nfs/dbraw/zinc/15/18/41/214151841.db2.gz PCYBUIBTPPLYEC-KGLIPLIRSA-N 2 2 296.415 0.245 20 0 CCADLP O=C(NCC[NH+]1CCOCC1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000337550509 214152233 /nfs/dbraw/zinc/15/22/33/214152233.db2.gz PCYBUIBTPPLYEC-UONOGXRCSA-N 2 2 296.415 0.245 20 0 CCADLP O=C(NCC[NH+]1CCOCC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000337550509 214152234 /nfs/dbraw/zinc/15/22/34/214152234.db2.gz PCYBUIBTPPLYEC-UONOGXRCSA-N 2 2 296.415 0.245 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000093874420 349554877 /nfs/dbraw/zinc/55/48/77/349554877.db2.gz LPYVCYLXXJLJPJ-UHFFFAOYSA-N 2 2 272.393 0.529 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093874420 349554881 /nfs/dbraw/zinc/55/48/81/349554881.db2.gz LPYVCYLXXJLJPJ-UHFFFAOYSA-N 2 2 272.393 0.529 20 0 CCADLP [NH3+]C[C@H]1CC[C@@H](C(=O)NCCCCn2cc[nH+]c2)O1 ZINC000094571054 349570429 /nfs/dbraw/zinc/57/04/29/349570429.db2.gz GHFGMPZTQLSCSE-NEPJUHHUSA-N 2 2 266.345 0.286 20 0 CCADLP COC(=O)c1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000094763097 349573909 /nfs/dbraw/zinc/57/39/09/349573909.db2.gz MWLNEZOKSFQXQP-RYUDHWBXSA-N 2 2 261.325 0.519 20 0 CCADLP COC(=O)[C@]1(OC)CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000600189991 361884881 /nfs/dbraw/zinc/88/48/81/361884881.db2.gz JCZAJHPCYVVEHK-AWEZNQCLSA-N 2 2 279.340 0.593 20 0 CCADLP COC(=O)[C@]1(OC)CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000600189991 361884887 /nfs/dbraw/zinc/88/48/87/361884887.db2.gz JCZAJHPCYVVEHK-AWEZNQCLSA-N 2 2 279.340 0.593 20 0 CCADLP COC(=O)[C@@]1(OC)CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000600191694 361886554 /nfs/dbraw/zinc/88/65/54/361886554.db2.gz KTSGODJSMJOLNQ-CQSZACIVSA-N 2 2 296.371 0.250 20 0 CCADLP COC(=O)[C@@]1(OC)CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000600191694 361886560 /nfs/dbraw/zinc/88/65/60/361886560.db2.gz KTSGODJSMJOLNQ-CQSZACIVSA-N 2 2 296.371 0.250 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)CCO1 ZINC000418604331 529392516 /nfs/dbraw/zinc/39/25/16/529392516.db2.gz OPCHECHNGMYYFP-MELADBBJSA-N 2 2 298.431 0.537 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)CCO1 ZINC000418604331 529392519 /nfs/dbraw/zinc/39/25/19/529392519.db2.gz OPCHECHNGMYYFP-MELADBBJSA-N 2 2 298.431 0.537 20 0 CCADLP Cc1ncc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)s1 ZINC000362687941 282150333 /nfs/dbraw/zinc/15/03/33/282150333.db2.gz XVBMOOGBCJCSSV-GFCCVEGCSA-N 2 2 294.424 0.848 20 0 CCADLP Cc1ncc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)s1 ZINC000362687941 282150334 /nfs/dbraw/zinc/15/03/34/282150334.db2.gz XVBMOOGBCJCSSV-GFCCVEGCSA-N 2 2 294.424 0.848 20 0 CCADLP [NH3+][C@@H]1CC[C@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000097092405 349627018 /nfs/dbraw/zinc/62/70/18/349627018.db2.gz PTSVFWYCGGZTQR-QWHCGFSZSA-N 2 2 274.368 0.858 20 0 CCADLP C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1n1cc[nH+]c1 ZINC000125636933 187193742 /nfs/dbraw/zinc/19/37/42/187193742.db2.gz AEFRVQLUMVTROY-MCIONIFRSA-N 2 2 292.383 0.623 20 0 CCADLP C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1n1cc[nH+]c1 ZINC000125636933 187193743 /nfs/dbraw/zinc/19/37/43/187193743.db2.gz AEFRVQLUMVTROY-MCIONIFRSA-N 2 2 292.383 0.623 20 0 CCADLP CCc1cc(NCCC[N@@H+]2CCNC(=O)C2)cc[nH+]1 ZINC000450401429 529504993 /nfs/dbraw/zinc/50/49/93/529504993.db2.gz GTHSNZYUCADUFR-UHFFFAOYSA-N 2 2 262.357 0.300 20 0 CCADLP CCc1cc(NCCC[N@H+]2CCNC(=O)C2)cc[nH+]1 ZINC000450401429 529504997 /nfs/dbraw/zinc/50/49/97/529504997.db2.gz GTHSNZYUCADUFR-UHFFFAOYSA-N 2 2 262.357 0.300 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000493522678 529551995 /nfs/dbraw/zinc/55/19/95/529551995.db2.gz LZNVFTORACQYQA-WTIVYXKASA-N 2 2 278.356 0.050 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)NC[C@@H](C)C[NH2+]C ZINC000493565465 529559343 /nfs/dbraw/zinc/55/93/43/529559343.db2.gz YEKSHRMMFHAFHC-GZTOBOFZSA-N 2 2 250.346 0.888 20 0 CCADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)N1CCc2ccccc2C1 ZINC000107575563 349738773 /nfs/dbraw/zinc/73/87/73/349738773.db2.gz UQQQHKPJBVWOAA-HZPDHXFCSA-N 2 2 285.391 0.723 20 0 CCADLP CCCN(CCC)C(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107574950 349738925 /nfs/dbraw/zinc/73/89/25/349738925.db2.gz IWENLBAHDMOBLY-STQMWFEESA-N 2 2 253.390 0.786 20 0 CCADLP COC(=O)c1cnc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000600706125 362037249 /nfs/dbraw/zinc/03/72/49/362037249.db2.gz CYNGCWVVWXQHDJ-QYJAPNMZSA-N 2 2 290.367 0.978 20 0 CCADLP COC(=O)c1cnc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000600706125 362037254 /nfs/dbraw/zinc/03/72/54/362037254.db2.gz CYNGCWVVWXQHDJ-QYJAPNMZSA-N 2 2 290.367 0.978 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600728171 362047272 /nfs/dbraw/zinc/04/72/72/362047272.db2.gz SDQOTCJQOUHLQM-BWZBUEFSSA-N 2 2 296.293 0.029 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600728171 362047277 /nfs/dbraw/zinc/04/72/77/362047277.db2.gz SDQOTCJQOUHLQM-BWZBUEFSSA-N 2 2 296.293 0.029 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600751223 362053869 /nfs/dbraw/zinc/05/38/69/362053869.db2.gz ZVIGHTUULFEYHW-LEWSCRJBSA-N 2 2 282.388 0.152 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600751223 362053876 /nfs/dbraw/zinc/05/38/76/362053876.db2.gz ZVIGHTUULFEYHW-LEWSCRJBSA-N 2 2 282.388 0.152 20 0 CCADLP COCc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)o1 ZINC000600769006 362056797 /nfs/dbraw/zinc/05/67/97/362056797.db2.gz IYUGSNLJVHFKDD-GWCFXTLKSA-N 2 2 279.340 0.170 20 0 CCADLP COCc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)o1 ZINC000600769006 362056803 /nfs/dbraw/zinc/05/68/03/362056803.db2.gz IYUGSNLJVHFKDD-GWCFXTLKSA-N 2 2 279.340 0.170 20 0 CCADLP CC[NH+](CC)CC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000112914375 349795077 /nfs/dbraw/zinc/79/50/77/349795077.db2.gz HJWDUYUQJMQXQH-OAHLLOKOSA-N 2 2 298.475 0.716 20 0 CCADLP CC[NH+](CC)CC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000112914375 349795079 /nfs/dbraw/zinc/79/50/79/349795079.db2.gz HJWDUYUQJMQXQH-OAHLLOKOSA-N 2 2 298.475 0.716 20 0 CCADLP CCOC(=O)C1CC[NH+](Cc2cn([C@@H](C)C[NH3+])nn2)CC1 ZINC000600971288 362108820 /nfs/dbraw/zinc/10/88/20/362108820.db2.gz VZEHWFULNNCUMH-NSHDSACASA-N 2 2 295.387 0.573 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)CCCn2cc[nH+]c2)[C@@H](C)CO1 ZINC000617733069 365743982 /nfs/dbraw/zinc/74/39/82/365743982.db2.gz MYMYCDKBMKDCKX-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)CCCn2cc[nH+]c2)[C@@H](C)CO1 ZINC000617733069 365743985 /nfs/dbraw/zinc/74/39/85/365743985.db2.gz MYMYCDKBMKDCKX-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)CCCC[NH+](C)C)[C@H](C)CO1 ZINC000617733849 365744787 /nfs/dbraw/zinc/74/47/87/365744787.db2.gz WRQLWVPBLUMVOI-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)CCCC[NH+](C)C)[C@H](C)CO1 ZINC000617733849 365744790 /nfs/dbraw/zinc/74/47/90/365744790.db2.gz WRQLWVPBLUMVOI-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601334474 362231397 /nfs/dbraw/zinc/23/13/97/362231397.db2.gz LBETVFBASKNTAI-OLZOCXBDSA-N 2 2 296.415 0.542 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601334474 362231403 /nfs/dbraw/zinc/23/14/03/362231403.db2.gz LBETVFBASKNTAI-OLZOCXBDSA-N 2 2 296.415 0.542 20 0 CCADLP [NH3+]C1(C(=O)N2CCN(c3cccc[nH+]3)CC2)CCC1 ZINC000147478672 136392914 /nfs/dbraw/zinc/39/29/14/136392914.db2.gz KJCYOEXHCVQESZ-UHFFFAOYSA-N 2 2 260.341 0.612 20 0 CCADLP C[C@@H](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH+](C)C ZINC000617754841 365757008 /nfs/dbraw/zinc/75/70/08/365757008.db2.gz BLHKYXVPPPRJDG-RYUDHWBXSA-N 2 2 264.373 0.902 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000617762107 365765202 /nfs/dbraw/zinc/76/52/02/365765202.db2.gz HQKVTBQSPJETFK-BFHYXJOUSA-N 2 2 295.427 0.601 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000617762107 365765207 /nfs/dbraw/zinc/76/52/07/365765207.db2.gz HQKVTBQSPJETFK-BFHYXJOUSA-N 2 2 295.427 0.601 20 0 CCADLP CO[C@H]1CC[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000617763333 365765609 /nfs/dbraw/zinc/76/56/09/365765609.db2.gz NQQYGDRFLIXAQW-KBPBESRZSA-N 2 2 285.432 0.801 20 0 CCADLP CO[C@H]1CC[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000617763333 365765610 /nfs/dbraw/zinc/76/56/10/365765610.db2.gz NQQYGDRFLIXAQW-KBPBESRZSA-N 2 2 285.432 0.801 20 0 CCADLP COCc1nc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)co1 ZINC000617764669 365768017 /nfs/dbraw/zinc/76/80/17/365768017.db2.gz BOTSJUQLZBOUKQ-UHFFFAOYSA-N 2 2 298.387 0.434 20 0 CCADLP COCc1nc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)co1 ZINC000617764669 365768029 /nfs/dbraw/zinc/76/80/29/365768029.db2.gz BOTSJUQLZBOUKQ-UHFFFAOYSA-N 2 2 298.387 0.434 20 0 CCADLP Cc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)nc(C)n1 ZINC000617765286 365770822 /nfs/dbraw/zinc/77/08/22/365770822.db2.gz ZVFRONFHRFOCIL-UHFFFAOYSA-N 2 2 293.415 0.707 20 0 CCADLP Cc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)nc(C)n1 ZINC000617765286 365770830 /nfs/dbraw/zinc/77/08/30/365770830.db2.gz ZVFRONFHRFOCIL-UHFFFAOYSA-N 2 2 293.415 0.707 20 0 CCADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])C[C@@H]21 ZINC000423924506 529784740 /nfs/dbraw/zinc/78/47/40/529784740.db2.gz AGKUPSSZHQTOLH-TTZDDIAXSA-N 2 2 295.427 0.826 20 0 CCADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])C[C@@H]21 ZINC000423924506 529784741 /nfs/dbraw/zinc/78/47/41/529784741.db2.gz AGKUPSSZHQTOLH-TTZDDIAXSA-N 2 2 295.427 0.826 20 0 CCADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000423862596 529788652 /nfs/dbraw/zinc/78/86/52/529788652.db2.gz GFDQNRRMATXBDF-KGLIPLIRSA-N 2 2 281.400 0.165 20 0 CCADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000423862596 529788653 /nfs/dbraw/zinc/78/86/53/529788653.db2.gz GFDQNRRMATXBDF-KGLIPLIRSA-N 2 2 281.400 0.165 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000358250182 529810024 /nfs/dbraw/zinc/81/00/24/529810024.db2.gz LBRFORVYALAAAF-MCIONIFRSA-N 3 2 253.390 0.269 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000358250182 529810025 /nfs/dbraw/zinc/81/00/25/529810025.db2.gz LBRFORVYALAAAF-MCIONIFRSA-N 3 2 253.390 0.269 20 0 CCADLP C[NH+]1CC[C@](O)(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000358250182 529810026 /nfs/dbraw/zinc/81/00/26/529810026.db2.gz LBRFORVYALAAAF-MCIONIFRSA-N 3 2 253.390 0.269 20 0 CCADLP C[NH+]1CC[C@](O)(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000358250182 529810027 /nfs/dbraw/zinc/81/00/27/529810027.db2.gz LBRFORVYALAAAF-MCIONIFRSA-N 3 2 253.390 0.269 20 0 CCADLP CN(CC1CC1)C(=O)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422634410 529860384 /nfs/dbraw/zinc/86/03/84/529860384.db2.gz JQOPNYDVPVJDHZ-UHFFFAOYSA-N 2 2 251.374 0.683 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000423749452 529910603 /nfs/dbraw/zinc/91/06/03/529910603.db2.gz RRPBRQOLPSYHTK-ZDUSSCGKSA-N 2 2 269.389 0.309 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000423735810 529911432 /nfs/dbraw/zinc/91/14/32/529911432.db2.gz BEOCGEUBHDFHBX-HIFRSBDPSA-N 2 2 283.416 0.685 20 0 CCADLP C[NH2+]CCNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000418313509 529975950 /nfs/dbraw/zinc/97/59/50/529975950.db2.gz CBVXFVJMZWHPTQ-UHFFFAOYSA-N 2 2 263.345 0.133 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)n1C ZINC000602009852 362456531 /nfs/dbraw/zinc/45/65/31/362456531.db2.gz XZQRHSQYUUFWFX-CYBMUJFWSA-N 2 2 295.383 0.358 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000367533728 530062705 /nfs/dbraw/zinc/06/27/05/530062705.db2.gz NWOJDEIXDFEFMY-RWMBFGLXSA-N 2 2 272.414 0.590 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000367533728 530062706 /nfs/dbraw/zinc/06/27/06/530062706.db2.gz NWOJDEIXDFEFMY-RWMBFGLXSA-N 2 2 272.414 0.590 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000367533728 530062707 /nfs/dbraw/zinc/06/27/07/530062707.db2.gz NWOJDEIXDFEFMY-RWMBFGLXSA-N 2 2 272.414 0.590 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000367533728 530062708 /nfs/dbraw/zinc/06/27/08/530062708.db2.gz NWOJDEIXDFEFMY-RWMBFGLXSA-N 2 2 272.414 0.590 20 0 CCADLP CN1CC[NH+](CCCCNC(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493616979 530072065 /nfs/dbraw/zinc/07/20/65/530072065.db2.gz LQHWWBCHHSHBDD-SNAWJCMRSA-N 2 2 291.399 0.567 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cocn3)C2)CC1 ZINC000602192788 362550137 /nfs/dbraw/zinc/55/01/37/362550137.db2.gz BHLUKDFOSIFPNA-LLVKDONJSA-N 2 2 278.356 0.573 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cocn3)C2)CC1 ZINC000602192788 362550141 /nfs/dbraw/zinc/55/01/41/362550141.db2.gz BHLUKDFOSIFPNA-LLVKDONJSA-N 2 2 278.356 0.573 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000602503444 362647992 /nfs/dbraw/zinc/64/79/92/362647992.db2.gz JQMGMCNLGLUGNH-VXGBXAGGSA-N 2 2 285.388 0.080 20 0 CCADLP C[C@H](NC(=O)[C@H]([NH3+])c1ccccc1)[C@H](C)[NH+]1CCOCC1 ZINC000262718881 290761056 /nfs/dbraw/zinc/76/10/56/290761056.db2.gz XRJLPKGLADGAHH-KCQAQPDRSA-N 2 2 291.395 0.912 20 0 CCADLP CC(C)[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@H]1C)N1CC[NH+](C)CC1 ZINC000422964008 535018659 /nfs/dbraw/zinc/01/86/59/535018659.db2.gz KEDQFPHBTLYWSY-OAGGEKHMSA-N 3 2 282.476 0.846 20 0 CCADLP COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000602707495 362761969 /nfs/dbraw/zinc/76/19/69/362761969.db2.gz BGHCNKRMWIJBSD-WHOHXGKFSA-N 2 2 256.346 0.389 20 0 CCADLP COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000602707495 362761970 /nfs/dbraw/zinc/76/19/70/362761970.db2.gz BGHCNKRMWIJBSD-WHOHXGKFSA-N 2 2 256.346 0.389 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCN1CC[NH+](CC2CC2)CC1 ZINC000191455401 136936702 /nfs/dbraw/zinc/93/67/02/136936702.db2.gz BMCOYFFPNWLWFZ-AWEZNQCLSA-N 2 2 267.417 0.735 20 0 CCADLP C[C@H]1COCC[N@H+]1CCN1CC[NH+](CC2CC2)CC1 ZINC000191455401 136936703 /nfs/dbraw/zinc/93/67/03/136936703.db2.gz BMCOYFFPNWLWFZ-AWEZNQCLSA-N 2 2 267.417 0.735 20 0 CCADLP CC[C@@H](C(=O)N(C)CC1C[NH+](C)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000618190021 365921796 /nfs/dbraw/zinc/92/17/96/365921796.db2.gz DIEDSEXTAZQLCN-CABCVRRESA-N 2 2 297.443 0.896 20 0 CCADLP CC[C@@H](C(=O)N(C)CC1C[NH+](C)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000618190021 365921806 /nfs/dbraw/zinc/92/18/06/365921806.db2.gz DIEDSEXTAZQLCN-CABCVRRESA-N 2 2 297.443 0.896 20 0 CCADLP C[C@@H]1C[NH+](C/C=C\C[N@@H+]2CCO[C@@H](C)C2)CCO1 ZINC000255524213 137005202 /nfs/dbraw/zinc/00/52/02/137005202.db2.gz XBHHNCYVHWZQOA-LQOBQMSGSA-N 2 2 254.374 0.984 20 0 CCADLP C[C@@H]1C[NH+](C/C=C\C[N@H+]2CCO[C@@H](C)C2)CCO1 ZINC000255524213 137005203 /nfs/dbraw/zinc/00/52/03/137005203.db2.gz XBHHNCYVHWZQOA-LQOBQMSGSA-N 2 2 254.374 0.984 20 0 CCADLP C[C@@H]1C[N@H+](C/C=C\C[NH+]2CCO[C@@H](C)C2)CCO1 ZINC000255524213 137005204 /nfs/dbraw/zinc/00/52/04/137005204.db2.gz XBHHNCYVHWZQOA-LQOBQMSGSA-N 2 2 254.374 0.984 20 0 CCADLP C[C@@H]1C[N@@H+](C/C=C\C[NH+]2CCO[C@@H](C)C2)CCO1 ZINC000255524213 137005205 /nfs/dbraw/zinc/00/52/05/137005205.db2.gz XBHHNCYVHWZQOA-LQOBQMSGSA-N 2 2 254.374 0.984 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)NCc1ccccc1 ZINC000261550074 137007427 /nfs/dbraw/zinc/00/74/27/137007427.db2.gz PIBGKRRUCDWKMC-CABCVRRESA-N 2 2 273.380 0.987 20 0 CCADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)NCc1ccccc1 ZINC000261550074 137007428 /nfs/dbraw/zinc/00/74/28/137007428.db2.gz PIBGKRRUCDWKMC-CABCVRRESA-N 2 2 273.380 0.987 20 0 CCADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)NCc1ccccc1F ZINC000261685032 137015465 /nfs/dbraw/zinc/01/54/65/137015465.db2.gz MVEQQVVDYXMQMD-JSGCOSHPSA-N 2 2 291.370 0.983 20 0 CCADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261566513 137008884 /nfs/dbraw/zinc/00/88/84/137008884.db2.gz IFQRHRQCUYPZMO-RWMBFGLXSA-N 2 2 253.390 0.688 20 0 CCADLP CC(C)CNC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261566513 137008885 /nfs/dbraw/zinc/00/88/85/137008885.db2.gz IFQRHRQCUYPZMO-RWMBFGLXSA-N 2 2 253.390 0.688 20 0 CCADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)NCc1ccccc1F ZINC000261685032 137015466 /nfs/dbraw/zinc/01/54/66/137015466.db2.gz MVEQQVVDYXMQMD-JSGCOSHPSA-N 2 2 291.370 0.983 20 0 CCADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261576555 137009646 /nfs/dbraw/zinc/00/96/46/137009646.db2.gz NTEDMTUJDMEVTK-AVGNSLFASA-N 2 2 253.390 0.831 20 0 CCADLP CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261576555 137009647 /nfs/dbraw/zinc/00/96/47/137009647.db2.gz NTEDMTUJDMEVTK-AVGNSLFASA-N 2 2 253.390 0.831 20 0 CCADLP CCC(CC)[C@@H](C(=O)NC[C@@H](C)[NH2+]C)[NH+]1CCOCC1 ZINC000261648573 137014078 /nfs/dbraw/zinc/01/40/78/137014078.db2.gz DXHVJXWEOTXIMA-OCCSQVGLSA-N 2 2 285.432 0.848 20 0 CCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263180857 137059459 /nfs/dbraw/zinc/05/94/59/137059459.db2.gz GTDALBIHXVBHSL-QWRGUYRKSA-N 2 2 275.343 0.784 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263180857 137059460 /nfs/dbraw/zinc/05/94/60/137059460.db2.gz GTDALBIHXVBHSL-QWRGUYRKSA-N 2 2 275.343 0.784 20 0 CCADLP C[C@@H]1CN(C(=O)C2([NH3+])CCCCC2)C[C@H]1[NH+]1CCOCC1 ZINC000262651758 137049201 /nfs/dbraw/zinc/04/92/01/137049201.db2.gz RMPSSWHZJWYUOS-ZIAGYGMSSA-N 2 2 295.427 0.827 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000262673653 137050035 /nfs/dbraw/zinc/05/00/35/137050035.db2.gz QKBKTAXELGOVFP-CMPLNLGQSA-N 2 2 262.357 0.891 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262906296 137055340 /nfs/dbraw/zinc/05/53/40/137055340.db2.gz FFNGYTCTRZHTOL-WDEREUQCSA-N 2 2 275.343 0.926 20 0 CCADLP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262906296 137055341 /nfs/dbraw/zinc/05/53/41/137055341.db2.gz FFNGYTCTRZHTOL-WDEREUQCSA-N 2 2 275.343 0.926 20 0 CCADLP CCC[N@H+](CC)CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263110451 137058470 /nfs/dbraw/zinc/05/84/70/137058470.db2.gz AGOCYQOBLCVJPL-SNVBAGLBSA-N 2 2 263.332 0.832 20 0 CCADLP CCC[N@@H+](CC)CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263110451 137058471 /nfs/dbraw/zinc/05/84/71/137058471.db2.gz AGOCYQOBLCVJPL-SNVBAGLBSA-N 2 2 263.332 0.832 20 0 CCADLP C[C@@H]1CCS(=O)(=O)CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000261690343 137015591 /nfs/dbraw/zinc/01/55/91/137015591.db2.gz HMPYJDBFCGHTBC-LLVKDONJSA-N 2 2 260.403 0.495 20 0 CCADLP C[C@@H]1CCS(=O)(=O)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000261690343 137015592 /nfs/dbraw/zinc/01/55/92/137015592.db2.gz HMPYJDBFCGHTBC-LLVKDONJSA-N 2 2 260.403 0.495 20 0 CCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261713073 137016811 /nfs/dbraw/zinc/01/68/11/137016811.db2.gz PJDPOEIACZEMAG-CABCVRRESA-N 2 2 294.443 0.367 20 0 CCADLP COc1coc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1=O ZINC000261777905 137019633 /nfs/dbraw/zinc/01/96/33/137019633.db2.gz SWFJVHRIJGNGPO-ZDUSSCGKSA-N 2 2 252.314 0.819 20 0 CCADLP COc1coc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1=O ZINC000261777905 137019634 /nfs/dbraw/zinc/01/96/34/137019634.db2.gz SWFJVHRIJGNGPO-ZDUSSCGKSA-N 2 2 252.314 0.819 20 0 CCADLP Cn1cc(N2CCC[C@@H]([N@@H+]3CC[C@](C)(C[NH3+])C3)C2=O)cn1 ZINC000261862375 137022702 /nfs/dbraw/zinc/02/27/02/137022702.db2.gz SHXFSHQSSNPGBO-UKRRQHHQSA-N 2 2 291.399 0.586 20 0 CCADLP Cn1cc(N2CCC[C@@H]([N@H+]3CC[C@](C)(C[NH3+])C3)C2=O)cn1 ZINC000261862375 137022703 /nfs/dbraw/zinc/02/27/03/137022703.db2.gz SHXFSHQSSNPGBO-UKRRQHHQSA-N 2 2 291.399 0.586 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261925239 137025967 /nfs/dbraw/zinc/02/59/67/137025967.db2.gz ZGCCUSMBYOUYPQ-BETUJISGSA-N 2 2 262.357 0.731 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CC12CC[NH2+]CC2)[NH+]1CCN(C)CC1 ZINC000261980884 137027389 /nfs/dbraw/zinc/02/73/89/137027389.db2.gz WFUAHFJDUBPIGP-UONOGXRCSA-N 2 2 294.443 0.128 20 0 CCADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cnn(C)c1 ZINC000310744249 137072312 /nfs/dbraw/zinc/07/23/12/137072312.db2.gz IHHFLKHCFGMWEM-DGCLKSJQSA-N 2 2 252.362 0.527 20 0 CCADLP C[C@@H](C(=O)NC1CCCCC1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000310924280 137073257 /nfs/dbraw/zinc/07/32/57/137073257.db2.gz GLPZXRXZLKTAPD-CMPLNLGQSA-N 2 2 257.378 0.075 20 0 CCADLP C[C@@H](C(=O)NC1CCCCC1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000310924280 137073258 /nfs/dbraw/zinc/07/32/58/137073258.db2.gz GLPZXRXZLKTAPD-CMPLNLGQSA-N 2 2 257.378 0.075 20 0 CCADLP CC(C)(CNC(=O)[C@@H]([NH3+])CC(F)F)[NH+]1CCOCC1 ZINC000311357338 137074561 /nfs/dbraw/zinc/07/45/61/137074561.db2.gz DRCPJVRLNHUTBL-VIFPVBQESA-N 2 2 279.331 0.196 20 0 CCADLP [NH3+]CC[N@H+](CCO)CCOc1cccc(Cl)c1 ZINC000342395521 137091110 /nfs/dbraw/zinc/09/11/10/137091110.db2.gz CNLGVTIIFNPIQK-UHFFFAOYSA-N 2 2 258.749 0.972 20 0 CCADLP [NH3+]CC[N@@H+](CCO)CCOc1cccc(Cl)c1 ZINC000342395521 137091111 /nfs/dbraw/zinc/09/11/11/137091111.db2.gz CNLGVTIIFNPIQK-UHFFFAOYSA-N 2 2 258.749 0.972 20 0 CCADLP COc1ccc(OCCC[N@H+](CC[NH3+])CCO)cc1 ZINC000342400664 137091482 /nfs/dbraw/zinc/09/14/82/137091482.db2.gz MVOVCOBGYIUBCD-UHFFFAOYSA-N 2 2 268.357 0.717 20 0 CCADLP COc1ccc(OCCC[N@@H+](CC[NH3+])CCO)cc1 ZINC000342400664 137091483 /nfs/dbraw/zinc/09/14/83/137091483.db2.gz MVOVCOBGYIUBCD-UHFFFAOYSA-N 2 2 268.357 0.717 20 0 CCADLP COc1cccc(CCC[N@H+](CC[NH3+])CCO)c1 ZINC000342409923 137092181 /nfs/dbraw/zinc/09/21/81/137092181.db2.gz CXFCCCFVTRPDJS-UHFFFAOYSA-N 2 2 252.358 0.881 20 0 CCADLP COc1cccc(CCC[N@@H+](CC[NH3+])CCO)c1 ZINC000342409923 137092182 /nfs/dbraw/zinc/09/21/82/137092182.db2.gz CXFCCCFVTRPDJS-UHFFFAOYSA-N 2 2 252.358 0.881 20 0 CCADLP C[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000342455950 137095107 /nfs/dbraw/zinc/09/51/07/137095107.db2.gz XPGIXBTYWAZRJO-ZYHUDNBSSA-N 2 2 279.365 0.857 20 0 CCADLP Cn1nccc1[C@@H]1[C@H]([NH2+]Cc2c[nH+]c[nH]2)CC(=O)N1C ZINC000343486654 137137698 /nfs/dbraw/zinc/13/76/98/137137698.db2.gz ZAXDXIVWEBQLLM-MFKMUULPSA-N 2 2 274.328 0.205 20 0 CCADLP Cc1c[nH+]c(CN2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)n1C ZINC000343919077 137166360 /nfs/dbraw/zinc/16/63/60/137166360.db2.gz PHBJAFJAFKXAFR-QWHCGFSZSA-N 2 2 264.373 0.633 20 0 CCADLP Cc1c[nH+]c(CN2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)n1C ZINC000343919077 137166361 /nfs/dbraw/zinc/16/63/61/137166361.db2.gz PHBJAFJAFKXAFR-QWHCGFSZSA-N 2 2 264.373 0.633 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NCCCn1cc[nH+]c1 ZINC000344008917 137173135 /nfs/dbraw/zinc/17/31/35/137173135.db2.gz CVYPFTFUJISGLQ-UHFFFAOYSA-N 2 2 262.317 0.506 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)NC[C@H]2C[NH+](C3CC3)CCO2)CC[N@@H+]1C ZINC000343339521 137129712 /nfs/dbraw/zinc/12/97/12/137129712.db2.gz DSFZUKJJKYJQHY-IPYPFGDCSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)NC[C@H]2C[NH+](C3CC3)CCO2)CC[N@H+]1C ZINC000343339521 137129713 /nfs/dbraw/zinc/12/97/13/137129713.db2.gz DSFZUKJJKYJQHY-IPYPFGDCSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CC[NH+]1C ZINC000343339521 137129714 /nfs/dbraw/zinc/12/97/14/137129714.db2.gz DSFZUKJJKYJQHY-IPYPFGDCSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CC[NH+]1C ZINC000343339521 137129715 /nfs/dbraw/zinc/12/97/15/137129715.db2.gz DSFZUKJJKYJQHY-IPYPFGDCSA-N 2 2 295.427 0.696 20 0 CCADLP CCN(CCC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C)S(C)(=O)=O ZINC000343384054 137131649 /nfs/dbraw/zinc/13/16/49/137131649.db2.gz IUVBRXZZDZMLDN-VXGBXAGGSA-N 2 2 277.434 0.198 20 0 CCADLP CCN(CCC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)S(C)(=O)=O ZINC000343384054 137131650 /nfs/dbraw/zinc/13/16/50/137131650.db2.gz IUVBRXZZDZMLDN-VXGBXAGGSA-N 2 2 277.434 0.198 20 0 CCADLP CCOC(=O)CC[N@H+](C)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000343392256 137132139 /nfs/dbraw/zinc/13/21/39/137132139.db2.gz BCPRBGUYPYFCJS-ZDUSSCGKSA-N 2 2 299.415 0.424 20 0 CCADLP CCOC(=O)CC[N@@H+](C)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000343392256 137132140 /nfs/dbraw/zinc/13/21/40/137132140.db2.gz BCPRBGUYPYFCJS-ZDUSSCGKSA-N 2 2 299.415 0.424 20 0 CCADLP C[C@H](CNC(=O)CCc1[nH]cc[nH+]1)C[NH+]1CCOCC1 ZINC000344205983 137183477 /nfs/dbraw/zinc/18/34/77/137183477.db2.gz RKIWHBOVPQOWMZ-GFCCVEGCSA-N 2 2 280.372 0.427 20 0 CCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@@H]1[NH2+]CCO[C@H]1C ZINC000344488084 137196969 /nfs/dbraw/zinc/19/69/69/137196969.db2.gz HDSAXPIQFJWNBQ-NTZNESFSSA-N 2 2 280.372 0.321 20 0 CCADLP CCO[C@H]1C[C@@H]1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000344772965 137212986 /nfs/dbraw/zinc/21/29/86/137212986.db2.gz RALXRZYCOFJBQN-GJZGRUSLSA-N 2 2 297.443 0.896 20 0 CCADLP CCO[C@H]1C[C@@H]1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000344772965 137212987 /nfs/dbraw/zinc/21/29/87/137212987.db2.gz RALXRZYCOFJBQN-GJZGRUSLSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000036999410 348177121 /nfs/dbraw/zinc/17/71/21/348177121.db2.gz SIRKSLRJLZYJCW-TZMCWYRMSA-N 2 2 272.352 0.958 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918135 348219015 /nfs/dbraw/zinc/21/90/15/348219015.db2.gz PEXUYLGVSMEANB-VWYCJHECSA-N 2 2 268.361 0.034 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918135 348219018 /nfs/dbraw/zinc/21/90/18/348219018.db2.gz PEXUYLGVSMEANB-VWYCJHECSA-N 2 2 268.361 0.034 20 0 CCADLP CC[C@@H](C)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000339414626 215156690 /nfs/dbraw/zinc/15/66/90/215156690.db2.gz GZWITSQBUDOBTI-CHWSQXEVSA-N 2 2 253.390 0.929 20 0 CCADLP CC[C@@H](C)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000339414626 215156695 /nfs/dbraw/zinc/15/66/95/215156695.db2.gz GZWITSQBUDOBTI-CHWSQXEVSA-N 2 2 253.390 0.929 20 0 CCADLP CN(C)C(=O)C[NH+]1CCC([NH2+]Cc2cn[nH]c2)CC1 ZINC000038006242 348222829 /nfs/dbraw/zinc/22/28/29/348222829.db2.gz DHVMLJZXTODMIM-UHFFFAOYSA-N 2 2 265.361 0.052 20 0 CCADLP O=C(C[NH2+]C1CC1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000037609345 348192111 /nfs/dbraw/zinc/19/21/11/348192111.db2.gz XNQPGBCETSLLIQ-UHFFFAOYSA-N 2 2 274.368 0.919 20 0 CCADLP OCc1cn([C@@H]2CCC[N@H+](CCCn3cc[nH+]c3)C2)nn1 ZINC000339419847 215158834 /nfs/dbraw/zinc/15/88/34/215158834.db2.gz NOGQNRDHMZGHSD-CQSZACIVSA-N 2 2 290.371 0.694 20 0 CCADLP OCc1cn([C@@H]2CCC[N@@H+](CCCn3cc[nH+]c3)C2)nn1 ZINC000339419847 215158837 /nfs/dbraw/zinc/15/88/37/215158837.db2.gz NOGQNRDHMZGHSD-CQSZACIVSA-N 2 2 290.371 0.694 20 0 CCADLP Cc1cccn2cc(CC(=O)NCC[NH+](C)C)[nH+]c12 ZINC000041287692 348250903 /nfs/dbraw/zinc/25/09/03/348250903.db2.gz QPVDZPMWZVSIJD-UHFFFAOYSA-N 2 2 260.341 0.863 20 0 CCADLP C[C@@H]1C[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H](C)O1 ZINC000042242296 348270683 /nfs/dbraw/zinc/27/06/83/348270683.db2.gz CHIJEFJTKDQMGE-CHWSQXEVSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000346345975 137280547 /nfs/dbraw/zinc/28/05/47/137280547.db2.gz VHNVUYNFKJRXJZ-LBPRGKRZSA-N 2 2 271.405 0.554 20 0 CCADLP C[C@H](CO)[N@@H+]1CCCN(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000346682741 137298915 /nfs/dbraw/zinc/29/89/15/137298915.db2.gz PMZVWTJYGIEKPY-OAGGEKHMSA-N 2 2 297.443 0.238 20 0 CCADLP C[C@H](CO)[N@H+]1CCCN(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000346682741 137298916 /nfs/dbraw/zinc/29/89/16/137298916.db2.gz PMZVWTJYGIEKPY-OAGGEKHMSA-N 2 2 297.443 0.238 20 0 CCADLP C[C@H](CO)[NH+]1CCCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000346682741 137298917 /nfs/dbraw/zinc/29/89/17/137298917.db2.gz PMZVWTJYGIEKPY-OAGGEKHMSA-N 2 2 297.443 0.238 20 0 CCADLP C[C@H](CO)[NH+]1CCCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000346682741 137298918 /nfs/dbraw/zinc/29/89/18/137298918.db2.gz PMZVWTJYGIEKPY-OAGGEKHMSA-N 2 2 297.443 0.238 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000346167569 137270941 /nfs/dbraw/zinc/27/09/41/137270941.db2.gz GBWWIISREUPIAL-LLVKDONJSA-N 2 2 260.341 0.943 20 0 CCADLP Nc1nsc(N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)n1 ZINC000346999818 137315503 /nfs/dbraw/zinc/31/55/03/137315503.db2.gz ZCLOFSXSDYKYAV-JTQLQIEISA-N 2 2 282.417 0.072 20 0 CCADLP CN(C)c1ncc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)s1 ZINC000347068258 137318198 /nfs/dbraw/zinc/31/81/98/137318198.db2.gz NPCKBLBGLGQJID-UHFFFAOYSA-N 2 2 297.428 0.073 20 0 CCADLP CN(C)c1ncc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)s1 ZINC000347068258 137318199 /nfs/dbraw/zinc/31/81/99/137318199.db2.gz NPCKBLBGLGQJID-UHFFFAOYSA-N 2 2 297.428 0.073 20 0 CCADLP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(C)(C)[NH3+])CC1 ZINC000346852735 137308800 /nfs/dbraw/zinc/30/88/00/137308800.db2.gz XHDOSSHUMRAYQS-GFCCVEGCSA-N 3 2 257.422 0.748 20 0 CCADLP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(C)(C)[NH3+])CC1 ZINC000346852735 137308801 /nfs/dbraw/zinc/30/88/01/137308801.db2.gz XHDOSSHUMRAYQS-GFCCVEGCSA-N 3 2 257.422 0.748 20 0 CCADLP C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(CC(C)(C)[NH3+])CC1 ZINC000346855538 137308847 /nfs/dbraw/zinc/30/88/47/137308847.db2.gz NYJGEIYTCONNFS-CYBMUJFWSA-N 2 2 296.459 0.789 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+][C@H](C)CCN2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000349358982 137392434 /nfs/dbraw/zinc/39/24/34/137392434.db2.gz XZJDIFUXPKZQAW-XHSDSOJGSA-N 3 2 282.476 0.942 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+][C@H](C)CCN2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000349358982 137392435 /nfs/dbraw/zinc/39/24/35/137392435.db2.gz XZJDIFUXPKZQAW-XHSDSOJGSA-N 3 2 282.476 0.942 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]CCS(C)(=O)=O)[C@@H]2CCC[C@H]21 ZINC000367639891 290218852 /nfs/dbraw/zinc/21/88/52/290218852.db2.gz XKGHMNMGPRVRNX-SDDRHHMPSA-N 2 2 260.403 0.493 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]CCS(C)(=O)=O)[C@@H]2CCC[C@H]21 ZINC000367639891 290218856 /nfs/dbraw/zinc/21/88/56/290218856.db2.gz XKGHMNMGPRVRNX-SDDRHHMPSA-N 2 2 260.403 0.493 20 0 CCADLP C[NH+]1C[C@H]2CN(C(=O)C3([NH+]4CCOCC4)CCC3)C[C@@H]2C1 ZINC000347610638 137345592 /nfs/dbraw/zinc/34/55/92/137345592.db2.gz FZHURPGCSNTRDS-KBPBESRZSA-N 2 2 293.411 0.261 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@]2(C)CCOC2)CC1 ZINC000347991271 137367686 /nfs/dbraw/zinc/36/76/86/137367686.db2.gz GNSCRNMPHDPVJG-OAHLLOKOSA-N 2 2 283.416 0.555 20 0 CCADLP COCC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccco1 ZINC000348058974 137370718 /nfs/dbraw/zinc/37/07/18/137370718.db2.gz ZQWUTDCYUNXHKY-CYBMUJFWSA-N 2 2 295.383 0.721 20 0 CCADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000348152056 137374978 /nfs/dbraw/zinc/37/49/78/137374978.db2.gz ONXWFVOIFQVKNO-OLZOCXBDSA-N 2 2 253.390 0.977 20 0 CCADLP CC(C)[C@H](C[NH2+]Cc1nccn1C)N1CC[NH+](C)CC1 ZINC000051924068 348500716 /nfs/dbraw/zinc/50/07/16/348500716.db2.gz MCDORQLNLDEMKX-AWEZNQCLSA-N 2 2 279.432 0.782 20 0 CCADLP CC(C)[C@H](C[NH2+]Cc1cn(C)nn1)N1CC[NH+](C)CC1 ZINC000054860861 348565465 /nfs/dbraw/zinc/56/54/65/348565465.db2.gz GJLKDFHGFSBOQH-AWEZNQCLSA-N 2 2 280.420 0.177 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000062331229 348667650 /nfs/dbraw/zinc/66/76/50/348667650.db2.gz XWVCKZSTGLKAGZ-GHMZBOCLSA-N 2 2 250.346 0.896 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976699 348674379 /nfs/dbraw/zinc/67/43/79/348674379.db2.gz SEKRCIUIQUSRQR-UPJWGTAASA-N 2 2 269.389 0.293 20 0 CCADLP CCC[NH+]1CCC([NH2+]C[C@H]2CN(C)CCN2C)CC1 ZINC000068800711 348822383 /nfs/dbraw/zinc/82/23/83/348822383.db2.gz WPQYVUNEEVHQJA-HNNXBMFYSA-N 2 2 268.449 0.696 20 0 CCADLP [NH3+]C[C@@H]1c2ccccc2CCN1CC[NH+]1CCOCC1 ZINC000069311939 348840118 /nfs/dbraw/zinc/84/01/18/348840118.db2.gz GAXVNPFTROBPGE-MRXNPFEDSA-N 2 2 275.396 0.877 20 0 CCADLP CCOC(=O)[C@]1(C)C[N@H+](CCCn2cc[nH+]c2)CCO1 ZINC000603004727 362932879 /nfs/dbraw/zinc/93/28/79/362932879.db2.gz YCQFAVCBPBUICN-AWEZNQCLSA-N 2 2 281.356 0.927 20 0 CCADLP CCOC(=O)[C@]1(C)C[N@@H+](CCCn2cc[nH+]c2)CCO1 ZINC000603004727 362932880 /nfs/dbraw/zinc/93/28/80/362932880.db2.gz YCQFAVCBPBUICN-AWEZNQCLSA-N 2 2 281.356 0.927 20 0 CCADLP CCOC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000070011397 348868594 /nfs/dbraw/zinc/86/85/94/348868594.db2.gz TUQQUJIQFFQROS-CQSZACIVSA-N 2 2 284.400 0.984 20 0 CCADLP CCOC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000070011397 348868597 /nfs/dbraw/zinc/86/85/97/348868597.db2.gz TUQQUJIQFFQROS-CQSZACIVSA-N 2 2 284.400 0.984 20 0 CCADLP CCCNC(=O)CC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000070144010 348873372 /nfs/dbraw/zinc/87/33/72/348873372.db2.gz XXJCXKPGFFUVJM-UHFFFAOYSA-N 2 2 267.377 0.492 20 0 CCADLP C[N@H+](CCNC[C@H](O)C[NH+]1CCOCC1)C1CCCC1 ZINC000071377445 348908979 /nfs/dbraw/zinc/90/89/79/348908979.db2.gz BQVSLGCAOKVDHX-HNNXBMFYSA-N 2 2 285.432 0.144 20 0 CCADLP C[N@@H+](CCNC[C@H](O)C[NH+]1CCOCC1)C1CCCC1 ZINC000071377445 348908981 /nfs/dbraw/zinc/90/89/81/348908981.db2.gz BQVSLGCAOKVDHX-HNNXBMFYSA-N 2 2 285.432 0.144 20 0 CCADLP C[N@H+](CCNC[C@@H](O)C[NH+]1CCOCC1)C1CCCC1 ZINC000071377446 348909085 /nfs/dbraw/zinc/90/90/85/348909085.db2.gz BQVSLGCAOKVDHX-OAHLLOKOSA-N 2 2 285.432 0.144 20 0 CCADLP C[N@@H+](CCNC[C@@H](O)C[NH+]1CCOCC1)C1CCCC1 ZINC000071377446 348909087 /nfs/dbraw/zinc/90/90/87/348909087.db2.gz BQVSLGCAOKVDHX-OAHLLOKOSA-N 2 2 285.432 0.144 20 0 CCADLP CC(=O)N1CC[NH+](CCNc2cc[nH+]c(N(C)C)n2)CC1 ZINC000077488757 349111249 /nfs/dbraw/zinc/11/12/49/349111249.db2.gz KHVVVPPFGFDTKY-UHFFFAOYSA-N 2 2 292.387 0.119 20 0 CCADLP COC(=O)CNC(=O)CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961060 349235882 /nfs/dbraw/zinc/23/58/82/349235882.db2.gz QWGJRQYKDZOCNA-NSHDSACASA-N 2 2 294.355 0.268 20 0 CCADLP COC(=O)CNC(=O)CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961060 349235885 /nfs/dbraw/zinc/23/58/85/349235885.db2.gz QWGJRQYKDZOCNA-NSHDSACASA-N 2 2 294.355 0.268 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[NH2+]CCCCn1cc[nH+]c1 ZINC000081900994 349287510 /nfs/dbraw/zinc/28/75/10/349287510.db2.gz OCAGTAFYTVCAJW-NSHDSACASA-N 2 2 259.375 0.686 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)Nc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000081247020 349252368 /nfs/dbraw/zinc/25/23/68/349252368.db2.gz DSEPGORYZWMMPM-GFCCVEGCSA-N 2 2 287.323 0.536 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)Nc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000081247020 349252370 /nfs/dbraw/zinc/25/23/70/349252370.db2.gz DSEPGORYZWMMPM-GFCCVEGCSA-N 2 2 287.323 0.536 20 0 CCADLP [NH3+]C1(C(=O)N2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000088130383 349356976 /nfs/dbraw/zinc/35/69/76/349356976.db2.gz MSZAUEVRJUKENK-UHFFFAOYSA-N 2 2 260.341 0.217 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000084696222 349324901 /nfs/dbraw/zinc/32/49/01/349324901.db2.gz DTFCDUGSVJXPEV-OAHLLOKOSA-N 2 2 297.443 0.947 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000084696222 349324903 /nfs/dbraw/zinc/32/49/03/349324903.db2.gz DTFCDUGSVJXPEV-OAHLLOKOSA-N 2 2 297.443 0.947 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000089635022 349397243 /nfs/dbraw/zinc/39/72/43/349397243.db2.gz RVKAPMOPOJGIKO-SDDRHHMPSA-N 2 2 262.419 0.739 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000089635022 349397246 /nfs/dbraw/zinc/39/72/46/349397246.db2.gz RVKAPMOPOJGIKO-SDDRHHMPSA-N 2 2 262.419 0.739 20 0 CCADLP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2COCC[NH2+]2)c1 ZINC000088358541 349361943 /nfs/dbraw/zinc/36/19/43/349361943.db2.gz RTEGELFTIXIVDX-ZDUSSCGKSA-N 2 2 263.341 0.675 20 0 CCADLP O=C(NCc1c[nH+]c[nH]1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000088751093 349370916 /nfs/dbraw/zinc/37/09/16/349370916.db2.gz WIUPVAIQLUWQCK-CYBMUJFWSA-N 2 2 256.309 0.740 20 0 CCADLP O=C(NCc1c[nH]c[nH+]1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000088751093 349370919 /nfs/dbraw/zinc/37/09/19/349370919.db2.gz WIUPVAIQLUWQCK-CYBMUJFWSA-N 2 2 256.309 0.740 20 0 CCADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000121183682 350025976 /nfs/dbraw/zinc/02/59/76/350025976.db2.gz GFKWXSZHTVQIHH-OAHLLOKOSA-N 3 2 296.459 0.424 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000121183682 350025978 /nfs/dbraw/zinc/02/59/78/350025978.db2.gz GFKWXSZHTVQIHH-OAHLLOKOSA-N 3 2 296.459 0.424 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000121183682 350025980 /nfs/dbraw/zinc/02/59/80/350025980.db2.gz GFKWXSZHTVQIHH-OAHLLOKOSA-N 3 2 296.459 0.424 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000121183682 350025982 /nfs/dbraw/zinc/02/59/82/350025982.db2.gz GFKWXSZHTVQIHH-OAHLLOKOSA-N 3 2 296.459 0.424 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)NC1CCOCC1 ZINC000123742238 350081857 /nfs/dbraw/zinc/08/18/57/350081857.db2.gz ZNVRMJXNSFKKTI-CYBMUJFWSA-N 2 2 271.405 0.587 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)NC1CCOCC1 ZINC000123742238 350081861 /nfs/dbraw/zinc/08/18/61/350081861.db2.gz ZNVRMJXNSFKKTI-CYBMUJFWSA-N 2 2 271.405 0.587 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)NC1CCOCC1 ZINC000123742465 350082104 /nfs/dbraw/zinc/08/21/04/350082104.db2.gz ZNVRMJXNSFKKTI-ZDUSSCGKSA-N 2 2 271.405 0.587 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)NC1CCOCC1 ZINC000123742465 350082106 /nfs/dbraw/zinc/08/21/06/350082106.db2.gz ZNVRMJXNSFKKTI-ZDUSSCGKSA-N 2 2 271.405 0.587 20 0 CCADLP C[NH2+]CCC[N@H+](C)CC(=O)NCc1cccs1 ZINC000124923505 350110702 /nfs/dbraw/zinc/11/07/02/350110702.db2.gz XRORJJQEZGJYMM-UHFFFAOYSA-N 2 2 255.387 0.906 20 0 CCADLP C[NH2+]CCC[N@@H+](C)CC(=O)NCc1cccs1 ZINC000124923505 350110706 /nfs/dbraw/zinc/11/07/06/350110706.db2.gz XRORJJQEZGJYMM-UHFFFAOYSA-N 2 2 255.387 0.906 20 0 CCADLP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000127337722 350166469 /nfs/dbraw/zinc/16/64/69/350166469.db2.gz XGIFVZNVHKGZQT-ZNMIVQPWSA-N 3 2 268.449 0.695 20 0 CCADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)N1CC[NH+](C)CC1 ZINC000127337722 350166473 /nfs/dbraw/zinc/16/64/73/350166473.db2.gz XGIFVZNVHKGZQT-ZNMIVQPWSA-N 3 2 268.449 0.695 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000128450794 350192470 /nfs/dbraw/zinc/19/24/70/350192470.db2.gz SGFPINXHJUMPKG-LBPRGKRZSA-N 2 2 286.420 0.773 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000128450794 350192474 /nfs/dbraw/zinc/19/24/74/350192474.db2.gz SGFPINXHJUMPKG-LBPRGKRZSA-N 2 2 286.420 0.773 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000091669043 180224660 /nfs/dbraw/zinc/22/46/60/180224660.db2.gz IEORQSFXVYIKLV-KBPBESRZSA-N 2 2 277.368 0.003 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000091669043 180224661 /nfs/dbraw/zinc/22/46/61/180224661.db2.gz IEORQSFXVYIKLV-KBPBESRZSA-N 2 2 277.368 0.003 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000091669274 180224688 /nfs/dbraw/zinc/22/46/88/180224688.db2.gz GLZTWNBHIRRPAG-QWHCGFSZSA-N 2 2 263.341 0.133 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000091669274 180224689 /nfs/dbraw/zinc/22/46/89/180224689.db2.gz GLZTWNBHIRRPAG-QWHCGFSZSA-N 2 2 263.341 0.133 20 0 CCADLP CC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000130258299 350232979 /nfs/dbraw/zinc/23/29/79/350232979.db2.gz NMZMSZDPFVNRHU-HUUCEWRRSA-N 2 2 291.395 0.741 20 0 CCADLP CC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000130258299 350232981 /nfs/dbraw/zinc/23/29/81/350232981.db2.gz NMZMSZDPFVNRHU-HUUCEWRRSA-N 2 2 291.395 0.741 20 0 CCADLP CC(C)[C@@H](C(=O)N(C)CC[NH+]1CCOCC1)[NH+](C)C ZINC000132081588 350296073 /nfs/dbraw/zinc/29/60/73/350296073.db2.gz JALODUVXXBCPAC-ZDUSSCGKSA-N 2 2 271.405 0.363 20 0 CCADLP CCC(CC)[C@@H](C(=O)NC[C@@H]([NH3+])C1CC1)[NH+]1CCOCC1 ZINC000137595150 350437284 /nfs/dbraw/zinc/43/72/84/350437284.db2.gz XWVPGGLKLGVUCA-CABCVRRESA-N 2 2 297.443 0.977 20 0 CCADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC000105896270 186086073 /nfs/dbraw/zinc/08/60/73/186086073.db2.gz IRUKBMSXEOOTIU-QWRGUYRKSA-N 2 2 250.346 0.956 20 0 CCADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1 ZINC000105896270 186086075 /nfs/dbraw/zinc/08/60/75/186086075.db2.gz IRUKBMSXEOOTIU-QWRGUYRKSA-N 2 2 250.346 0.956 20 0 CCADLP CN(C1CC[NH+](C2CC[NH2+]CC2)CC1)S(C)(=O)=O ZINC000148829848 350476110 /nfs/dbraw/zinc/47/61/10/350476110.db2.gz NRBBFGVONYTRLZ-UHFFFAOYSA-N 2 2 275.418 0.094 20 0 CCADLP COc1cc[nH+]c(CN2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000106860684 186142881 /nfs/dbraw/zinc/14/28/81/186142881.db2.gz REQVPWHCTKYNPO-UHFFFAOYSA-N 2 2 279.384 0.979 20 0 CCADLP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107369486 186171998 /nfs/dbraw/zinc/17/19/98/186171998.db2.gz NWZACAAKWQRUPE-GJZGRUSLSA-N 2 2 296.459 0.613 20 0 CCADLP CCCNC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107369486 186172000 /nfs/dbraw/zinc/17/20/00/186172000.db2.gz NWZACAAKWQRUPE-GJZGRUSLSA-N 2 2 296.459 0.613 20 0 CCADLP CCCCCNC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577157 186180079 /nfs/dbraw/zinc/18/00/79/186180079.db2.gz WNMKATUUECWEGH-UPJWGTAASA-N 2 2 253.390 0.833 20 0 CCADLP CCCCCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577157 186180081 /nfs/dbraw/zinc/18/00/81/186180081.db2.gz WNMKATUUECWEGH-UPJWGTAASA-N 2 2 253.390 0.833 20 0 CCADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000154901887 350602818 /nfs/dbraw/zinc/60/28/18/350602818.db2.gz XFDOIOXTCPBCQH-KKUMJFAQSA-N 3 2 268.449 0.695 20 0 CCADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000154901887 350602825 /nfs/dbraw/zinc/60/28/25/350602825.db2.gz XFDOIOXTCPBCQH-KKUMJFAQSA-N 3 2 268.449 0.695 20 0 CCADLP CC(C)NC(=O)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000109754767 186270716 /nfs/dbraw/zinc/27/07/16/186270716.db2.gz HRMBZXDFRVJXLK-OAHLLOKOSA-N 2 2 296.459 0.613 20 0 CCADLP CC(C)NC(=O)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000109754767 186270717 /nfs/dbraw/zinc/27/07/17/186270717.db2.gz HRMBZXDFRVJXLK-OAHLLOKOSA-N 2 2 296.459 0.613 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2ccccc2O)[C@@H](C[NH3+])C1 ZINC000157315719 350642798 /nfs/dbraw/zinc/64/27/98/350642798.db2.gz YEHLUEBMLNVWAS-LBPRGKRZSA-N 2 2 263.341 0.036 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2ccccc2O)[C@@H](C[NH3+])C1 ZINC000157315719 350642799 /nfs/dbraw/zinc/64/27/99/350642799.db2.gz YEHLUEBMLNVWAS-LBPRGKRZSA-N 2 2 263.341 0.036 20 0 CCADLP C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH3+] ZINC000163551379 350767956 /nfs/dbraw/zinc/76/79/56/350767956.db2.gz LTCALWRECUGFRF-NWDGAFQWSA-N 2 2 250.346 0.717 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000164941887 350784561 /nfs/dbraw/zinc/78/45/61/350784561.db2.gz QHAPVQLUHXCBET-LBPRGKRZSA-N 2 2 262.357 0.906 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2)CCO1 ZINC000165073874 350786734 /nfs/dbraw/zinc/78/67/34/350786734.db2.gz NDYFRNZLXQWJEV-ZDUSSCGKSA-N 2 2 263.341 0.675 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2)CCO1 ZINC000165073874 350786737 /nfs/dbraw/zinc/78/67/37/350786737.db2.gz NDYFRNZLXQWJEV-ZDUSSCGKSA-N 2 2 263.341 0.675 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)NCCCNc1cccc[nH+]1 ZINC000165239639 350788643 /nfs/dbraw/zinc/78/86/43/350788643.db2.gz DGMFNJNJWPFDDT-LBPRGKRZSA-N 2 2 250.346 0.983 20 0 CCADLP CSCC[C@H]([NH3+])C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000165582252 350791910 /nfs/dbraw/zinc/79/19/10/350791910.db2.gz BLKHJLARPZIBJU-MNOVXSKESA-N 2 2 270.402 0.716 20 0 CCADLP CSCC[C@@H]([NH3+])C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000167695080 350813632 /nfs/dbraw/zinc/81/36/32/350813632.db2.gz DOVACTUHMMDUPM-SDDRHHMPSA-N 2 2 289.445 0.292 20 0 CCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)NCC[NH+]1CCOCC1 ZINC000170740312 350856275 /nfs/dbraw/zinc/85/62/75/350856275.db2.gz QPPUPMSIJIATFV-CYBMUJFWSA-N 2 2 286.420 0.348 20 0 CCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCC[NH+]1CCOCC1 ZINC000170740312 350856277 /nfs/dbraw/zinc/85/62/77/350856277.db2.gz QPPUPMSIJIATFV-CYBMUJFWSA-N 2 2 286.420 0.348 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CCn2cccn2)CC1 ZINC000111282085 186388142 /nfs/dbraw/zinc/38/81/42/186388142.db2.gz TUUWPGJLBXIXHI-AWEZNQCLSA-N 2 2 293.415 0.368 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CCn2cccn2)CC1 ZINC000111282085 186388144 /nfs/dbraw/zinc/38/81/44/186388144.db2.gz TUUWPGJLBXIXHI-AWEZNQCLSA-N 2 2 293.415 0.368 20 0 CCADLP O=C1C[C@H]([NH2+]C2CCCCC2)CN1CC[NH+]1CCOCC1 ZINC000178906030 351252296 /nfs/dbraw/zinc/25/22/96/351252296.db2.gz CDEQZMNIMFRDOI-HNNXBMFYSA-N 2 2 295.427 0.842 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)N1CCOCC1 ZINC000177335595 351201136 /nfs/dbraw/zinc/20/11/36/351201136.db2.gz JEFRJBLVRFKSDI-CABCVRRESA-N 2 2 295.427 0.794 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)N1CCOCC1 ZINC000177335595 351201137 /nfs/dbraw/zinc/20/11/37/351201137.db2.gz JEFRJBLVRFKSDI-CABCVRRESA-N 2 2 295.427 0.794 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)N1CCOCC1 ZINC000177335595 351201138 /nfs/dbraw/zinc/20/11/38/351201138.db2.gz JEFRJBLVRFKSDI-CABCVRRESA-N 2 2 295.427 0.794 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)N1CCOCC1 ZINC000177335595 351201139 /nfs/dbraw/zinc/20/11/39/351201139.db2.gz JEFRJBLVRFKSDI-CABCVRRESA-N 2 2 295.427 0.794 20 0 CCADLP C[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCC1 ZINC000181042186 351300087 /nfs/dbraw/zinc/30/00/87/351300087.db2.gz PECNEILWASDPHK-ZFWWWQNUSA-N 2 2 295.427 0.698 20 0 CCADLP COC[C@@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000179480672 351268676 /nfs/dbraw/zinc/26/86/76/351268676.db2.gz OIQCLTBFLJWLGY-AGIUHOORSA-N 2 2 253.346 0.773 20 0 CCADLP COC[C@@H](O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000179480672 351268679 /nfs/dbraw/zinc/26/86/79/351268679.db2.gz OIQCLTBFLJWLGY-AGIUHOORSA-N 2 2 253.346 0.773 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccco1 ZINC000181914806 351341868 /nfs/dbraw/zinc/34/18/68/351341868.db2.gz FIZFNNMZCIDAKW-UHFFFAOYSA-N 2 2 251.330 0.485 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccco1 ZINC000181914806 351341872 /nfs/dbraw/zinc/34/18/72/351341872.db2.gz FIZFNNMZCIDAKW-UHFFFAOYSA-N 2 2 251.330 0.485 20 0 CCADLP c1cn(CCC[N@@H+]2CCO[C@@]3(CCOC3)C2)c[nH+]1 ZINC000185201414 351438697 /nfs/dbraw/zinc/43/86/97/351438697.db2.gz FIMZDHDOHRISOH-ZDUSSCGKSA-N 2 2 251.330 0.765 20 0 CCADLP c1cn(CCC[N@H+]2CCO[C@@]3(CCOC3)C2)c[nH+]1 ZINC000185201414 351438699 /nfs/dbraw/zinc/43/86/99/351438699.db2.gz FIMZDHDOHRISOH-ZDUSSCGKSA-N 2 2 251.330 0.765 20 0 CCADLP C[C@H](C(=O)NCCCC[NH+](C)C)[NH+]1CCOCC1 ZINC000339813575 215347889 /nfs/dbraw/zinc/34/78/89/215347889.db2.gz NOHKLHOLEYVESH-GFCCVEGCSA-N 2 2 257.378 0.165 20 0 CCADLP CC(C)[C@H](CNC(=O)c1c[nH+]ccc1N)[NH+]1CCOCC1 ZINC000188053154 351569733 /nfs/dbraw/zinc/56/97/33/351569733.db2.gz PJIFLHJTRCIASD-AWEZNQCLSA-N 2 2 292.383 0.750 20 0 CCADLP O=C(NCCc1cn2ccccc2[nH+]1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188706962 351619821 /nfs/dbraw/zinc/61/98/21/351619821.db2.gz XKFLGFIYUGEPQJ-CMPLNLGQSA-N 2 2 276.315 0.693 20 0 CCADLP CCOCC[NH+]1CCN(CC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000191483919 351759859 /nfs/dbraw/zinc/75/98/59/351759859.db2.gz INGYHMCFUSAHEI-HNNXBMFYSA-N 2 2 285.432 0.361 20 0 CCADLP CCOCC[NH+]1CCN(CC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000191483919 351759861 /nfs/dbraw/zinc/75/98/61/351759861.db2.gz INGYHMCFUSAHEI-HNNXBMFYSA-N 2 2 285.432 0.361 20 0 CCADLP CC(C)C[C@]1(CO)CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000191655418 351767271 /nfs/dbraw/zinc/76/72/71/351767271.db2.gz GYJWZNKUNWMXPM-INIZCTEOSA-N 2 2 297.443 0.633 20 0 CCADLP CC(C)C[C@]1(CO)CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000191655418 351767277 /nfs/dbraw/zinc/76/72/77/351767277.db2.gz GYJWZNKUNWMXPM-INIZCTEOSA-N 2 2 297.443 0.633 20 0 CCADLP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3nnn(C)n3)C2)[nH+]1 ZINC000192984699 351806505 /nfs/dbraw/zinc/80/65/05/351806505.db2.gz WLAJCHBYAOYLDO-LBPRGKRZSA-N 2 2 287.371 0.848 20 0 CCADLP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3nnn(C)n3)C2)[nH+]1 ZINC000192984699 351806507 /nfs/dbraw/zinc/80/65/07/351806507.db2.gz WLAJCHBYAOYLDO-LBPRGKRZSA-N 2 2 287.371 0.848 20 0 CCADLP O=C(NCC1CC[NH2+]CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000655412155 412560937 /nfs/dbraw/zinc/56/09/37/412560937.db2.gz MMJLSSMTKHAWRD-LBPRGKRZSA-N 2 2 262.357 0.561 20 0 CCADLP CN(Cc1[nH+]ccn1C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000227800793 352059410 /nfs/dbraw/zinc/05/94/10/352059410.db2.gz LSAHAVGFMFPLIY-GJZGRUSLSA-N 2 2 288.395 0.783 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225890850 352017906 /nfs/dbraw/zinc/01/79/06/352017906.db2.gz PEXUYLGVSMEANB-MXWKQRLJSA-N 2 2 268.361 0.034 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000225890850 352017908 /nfs/dbraw/zinc/01/79/08/352017908.db2.gz PEXUYLGVSMEANB-MXWKQRLJSA-N 2 2 268.361 0.034 20 0 CCADLP C[N@@H+]1CCN(C(=O)c2cccc3nccnc32)[C@H](C[NH3+])C1 ZINC000228296647 352073115 /nfs/dbraw/zinc/07/31/15/352073115.db2.gz GLWFSQDBYIVVOM-LLVKDONJSA-N 2 2 285.351 0.345 20 0 CCADLP C[N@H+]1CCN(C(=O)c2cccc3nccnc32)[C@H](C[NH3+])C1 ZINC000228296647 352073120 /nfs/dbraw/zinc/07/31/20/352073120.db2.gz GLWFSQDBYIVVOM-LLVKDONJSA-N 2 2 285.351 0.345 20 0 CCADLP C[N@@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](C[NH3+])C1 ZINC000226626735 352031065 /nfs/dbraw/zinc/03/10/65/352031065.db2.gz KDJKGMAPUYIODW-INIZCTEOSA-N 3 2 285.395 0.947 20 0 CCADLP C[N@H+]1CCN(Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](C[NH3+])C1 ZINC000226626735 352031066 /nfs/dbraw/zinc/03/10/66/352031066.db2.gz KDJKGMAPUYIODW-INIZCTEOSA-N 3 2 285.395 0.947 20 0 CCADLP CC1CCN(C(=O)C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000227070250 352037148 /nfs/dbraw/zinc/03/71/48/352037148.db2.gz VCHOCOBAYKBIMD-STQMWFEESA-N 2 2 253.390 0.914 20 0 CCADLP CC1CCN(C(=O)C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000227070250 352037152 /nfs/dbraw/zinc/03/71/52/352037152.db2.gz VCHOCOBAYKBIMD-STQMWFEESA-N 2 2 253.390 0.914 20 0 CCADLP CCN(CCC[NH+](C)C)c1nc[nH+]c(N)c1OC ZINC000230744151 352119544 /nfs/dbraw/zinc/11/95/44/352119544.db2.gz BVJBDIOPIVUNTO-UHFFFAOYSA-N 2 2 253.350 0.845 20 0 CCADLP CCN(CCC[NH+](C)C)c1[nH+]cnc(N)c1OC ZINC000230744151 352119548 /nfs/dbraw/zinc/11/95/48/352119548.db2.gz BVJBDIOPIVUNTO-UHFFFAOYSA-N 2 2 253.350 0.845 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cn2ccccc2n1 ZINC000228722870 352082559 /nfs/dbraw/zinc/08/25/59/352082559.db2.gz LBFKCYXJHQHUHI-AWEZNQCLSA-N 2 2 262.357 0.737 20 0 CCADLP O=C(NC[C@@H]1CCCC[NH2+]1)[C@H]1CCc2[nH+]ccn2C1 ZINC000655415599 412562626 /nfs/dbraw/zinc/56/26/26/412562626.db2.gz XPILRAAOBPZIQG-RYUDHWBXSA-N 2 2 262.357 0.704 20 0 CCADLP CC(C)([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000236798725 352216190 /nfs/dbraw/zinc/21/61/90/352216190.db2.gz IKPYMZUVVFPZGJ-AWEZNQCLSA-N 2 2 291.395 0.741 20 0 CCADLP CC(C)([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000236798725 352216194 /nfs/dbraw/zinc/21/61/94/352216194.db2.gz IKPYMZUVVFPZGJ-AWEZNQCLSA-N 2 2 291.395 0.741 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000236902063 352225849 /nfs/dbraw/zinc/22/58/49/352225849.db2.gz OOZYBHHQLGLERC-OCCSQVGLSA-N 2 2 293.415 0.438 20 0 CCADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000237449064 352266130 /nfs/dbraw/zinc/26/61/30/352266130.db2.gz XMIPXYOJXZPTDN-HIFRSBDPSA-N 2 2 291.395 0.913 20 0 CCADLP [NH3+]CCC(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000237886029 352287142 /nfs/dbraw/zinc/28/71/42/352287142.db2.gz XDYHIXMNSMHBGZ-UHFFFAOYSA-N 2 2 263.341 0.806 20 0 CCADLP CC(C)N1CC[C@H]([N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000245482235 352325223 /nfs/dbraw/zinc/32/52/23/352325223.db2.gz ZFLQJEWPBFPZAJ-GJZGRUSLSA-N 2 2 295.427 0.650 20 0 CCADLP CC(C)N1CC[C@H]([N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000245482235 352325226 /nfs/dbraw/zinc/32/52/26/352325226.db2.gz ZFLQJEWPBFPZAJ-GJZGRUSLSA-N 2 2 295.427 0.650 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246462079 352368177 /nfs/dbraw/zinc/36/81/77/352368177.db2.gz YZLBYDKEZVXUTG-KBPBESRZSA-N 2 2 285.432 0.801 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246462079 352368180 /nfs/dbraw/zinc/36/81/80/352368180.db2.gz YZLBYDKEZVXUTG-KBPBESRZSA-N 2 2 285.432 0.801 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)Cn1cccn1 ZINC000246523270 352371633 /nfs/dbraw/zinc/37/16/33/352371633.db2.gz RKKTVVJXVYDAMJ-ILXRZTDVSA-N 2 2 278.400 0.803 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)Cn1cccn1 ZINC000246523270 352371636 /nfs/dbraw/zinc/37/16/36/352371636.db2.gz RKKTVVJXVYDAMJ-ILXRZTDVSA-N 2 2 278.400 0.803 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)Cn1cccn1 ZINC000246523270 352371639 /nfs/dbraw/zinc/37/16/39/352371639.db2.gz RKKTVVJXVYDAMJ-ILXRZTDVSA-N 2 2 278.400 0.803 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)Cn1cccn1 ZINC000246523270 352371642 /nfs/dbraw/zinc/37/16/42/352371642.db2.gz RKKTVVJXVYDAMJ-ILXRZTDVSA-N 2 2 278.400 0.803 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246957336 352389510 /nfs/dbraw/zinc/38/95/10/352389510.db2.gz OETDIVBXHZTSAG-KBPBESRZSA-N 2 2 285.432 0.801 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246957336 352389512 /nfs/dbraw/zinc/38/95/12/352389512.db2.gz OETDIVBXHZTSAG-KBPBESRZSA-N 2 2 285.432 0.801 20 0 CCADLP COCCCNC(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246957336 352389514 /nfs/dbraw/zinc/38/95/14/352389514.db2.gz OETDIVBXHZTSAG-KBPBESRZSA-N 2 2 285.432 0.801 20 0 CCADLP COCCCNC(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246957336 352389515 /nfs/dbraw/zinc/38/95/15/352389515.db2.gz OETDIVBXHZTSAG-KBPBESRZSA-N 2 2 285.432 0.801 20 0 CCADLP [NH3+]C[C@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000418409036 234108977 /nfs/dbraw/zinc/10/89/77/234108977.db2.gz VDNGVMNJHGWEHK-ZDUSSCGKSA-N 2 2 289.383 0.651 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](CO)C2)CC1 ZINC000249513466 352493726 /nfs/dbraw/zinc/49/37/26/352493726.db2.gz XQNJYCPQSHSEQQ-UONOGXRCSA-N 2 2 283.416 0.243 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](CO)C2)CC1 ZINC000249513466 352493727 /nfs/dbraw/zinc/49/37/27/352493727.db2.gz XQNJYCPQSHSEQQ-UONOGXRCSA-N 2 2 283.416 0.243 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000248945140 352467444 /nfs/dbraw/zinc/46/74/44/352467444.db2.gz CDHPTTLXUIJNOG-CABCVRRESA-N 2 2 285.432 0.096 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(CC[N@H+]2CCOC[C@H]2C)CC1 ZINC000248945140 352467448 /nfs/dbraw/zinc/46/74/48/352467448.db2.gz CDHPTTLXUIJNOG-CABCVRRESA-N 2 2 285.432 0.096 20 0 CCADLP CC[C@@H](O)C[NH+]1CCN(CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000249051803 352474105 /nfs/dbraw/zinc/47/41/05/352474105.db2.gz OHZGDJPIDDCXII-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP CC[C@@H](O)C[NH+]1CCN(CC[N@H+]2CCOC[C@H]2C)CC1 ZINC000249051803 352474108 /nfs/dbraw/zinc/47/41/08/352474108.db2.gz OHZGDJPIDDCXII-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418393202 234101488 /nfs/dbraw/zinc/10/14/88/234101488.db2.gz DUAYPPYLCJBBQR-YPMHNXCESA-N 2 2 284.404 0.086 20 0 CCADLP C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252970519 352527897 /nfs/dbraw/zinc/52/78/97/352527897.db2.gz ZQTWNRXGXHDZMQ-YIZRAAEISA-N 2 2 267.295 0.723 20 0 CCADLP C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252970519 352527898 /nfs/dbraw/zinc/52/78/98/352527898.db2.gz ZQTWNRXGXHDZMQ-YIZRAAEISA-N 2 2 267.295 0.723 20 0 CCADLP Cc1cnn(C[C@@H]2C[N@H+](C[C@@]3(C)CC[NH2+]C3)CCO2)c1 ZINC000262060468 352574422 /nfs/dbraw/zinc/57/44/22/352574422.db2.gz RBOIYIYMLAVKMT-GJZGRUSLSA-N 2 2 278.400 0.892 20 0 CCADLP Cc1cnn(C[C@@H]2C[N@@H+](C[C@@]3(C)CC[NH2+]C3)CCO2)c1 ZINC000262060468 352574425 /nfs/dbraw/zinc/57/44/25/352574425.db2.gz RBOIYIYMLAVKMT-GJZGRUSLSA-N 2 2 278.400 0.892 20 0 CCADLP [NH3+][C@@H]1C[N@H+](CCn2cncn2)C[C@H]1c1ccccc1 ZINC000262090695 352577621 /nfs/dbraw/zinc/57/76/21/352577621.db2.gz YNQBCIBININUJZ-UONOGXRCSA-N 2 2 257.341 0.705 20 0 CCADLP [NH3+][C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1c1ccccc1 ZINC000262090695 352577623 /nfs/dbraw/zinc/57/76/23/352577623.db2.gz YNQBCIBININUJZ-UONOGXRCSA-N 2 2 257.341 0.705 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C[C@]1(C)CC[NH2+]C1 ZINC000262120409 352579492 /nfs/dbraw/zinc/57/94/92/352579492.db2.gz XFTDLWSZZUBRQB-UONOGXRCSA-N 2 2 255.406 0.639 20 0 CCADLP [NH3+]Cc1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)ccn1 ZINC000262123809 352580645 /nfs/dbraw/zinc/58/06/45/352580645.db2.gz KXEPASKSXKZXEC-UHFFFAOYSA-N 2 2 297.362 0.898 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266240362 352692326 /nfs/dbraw/zinc/69/23/26/352692326.db2.gz PSOBUBLWLQEHRZ-AWEZNQCLSA-N 2 2 292.383 0.454 20 0 CCADLP CS(=O)(=O)NCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266736681 352717428 /nfs/dbraw/zinc/71/74/28/352717428.db2.gz KWAPTZUCYJWZJM-UHFFFAOYSA-N 2 2 272.374 0.138 20 0 CCADLP C[NH+](C)C/C=C/C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000267603898 352777674 /nfs/dbraw/zinc/77/76/74/352777674.db2.gz JSCGNIGFYVPXIN-DIECRNLCSA-N 2 2 262.357 0.992 20 0 CCADLP CN(C)c1ncc(C[NH2+]C[C@](C)(O)C[NH+](C)C)s1 ZINC000269831089 352878575 /nfs/dbraw/zinc/87/85/75/352878575.db2.gz SDEDRVOJUPQGCU-LBPRGKRZSA-N 2 2 272.418 0.611 20 0 CCADLP Cc1cc[nH+]c(NC[C@@H](O)C[NH+]2CCOCC2)c1 ZINC000269384197 352831299 /nfs/dbraw/zinc/83/12/99/352831299.db2.gz TWHKAAKGLOLHHQ-GFCCVEGCSA-N 2 2 251.330 0.495 20 0 CCADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@]3(O)CCOC3)n2c1 ZINC000269994332 352894348 /nfs/dbraw/zinc/89/43/48/352894348.db2.gz PVCNQDOVENTLBU-AWEZNQCLSA-N 2 2 261.325 0.884 20 0 CCADLP CC[N@H+](CCn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000270833639 352993029 /nfs/dbraw/zinc/99/30/29/352993029.db2.gz DLIQWVVYLZKJAM-GFCCVEGCSA-N 2 2 271.386 0.701 20 0 CCADLP CC[N@@H+](CCn1cc[nH+]c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000270833639 352993032 /nfs/dbraw/zinc/99/30/32/352993032.db2.gz DLIQWVVYLZKJAM-GFCCVEGCSA-N 2 2 271.386 0.701 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(c2cc[nH+]c(C)n2)[C@H](C)C1 ZINC000271631776 353034573 /nfs/dbraw/zinc/03/45/73/353034573.db2.gz GTMGIOJZFLJQSQ-LLVKDONJSA-N 2 2 278.356 0.859 20 0 CCADLP COC(=O)CC[N@H+]1CCN(c2cc[nH+]c(C)n2)[C@H](C)C1 ZINC000271631776 353034574 /nfs/dbraw/zinc/03/45/74/353034574.db2.gz GTMGIOJZFLJQSQ-LLVKDONJSA-N 2 2 278.356 0.859 20 0 CCADLP CCS(=O)(=O)CC[N@H+](C)CCn1cc[nH+]c1C ZINC000270883124 352999606 /nfs/dbraw/zinc/99/96/06/352999606.db2.gz NSMHXAZITMCZBW-UHFFFAOYSA-N 2 2 259.375 0.558 20 0 CCADLP CCS(=O)(=O)CC[N@@H+](C)CCn1cc[nH+]c1C ZINC000270883124 352999611 /nfs/dbraw/zinc/99/96/11/352999611.db2.gz NSMHXAZITMCZBW-UHFFFAOYSA-N 2 2 259.375 0.558 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655442269 412570879 /nfs/dbraw/zinc/57/08/79/412570879.db2.gz IIKBAWKWXIEHAT-TZMCWYRMSA-N 2 2 262.357 0.779 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655445078 412573202 /nfs/dbraw/zinc/57/32/02/412573202.db2.gz HSPOGRHQBKDEJJ-MBNYWOFBSA-N 2 2 262.357 0.778 20 0 CCADLP C[N@@H+]1CC[C@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000292488301 198307605 /nfs/dbraw/zinc/30/76/05/198307605.db2.gz FHBUGILZIONPEC-AWEZNQCLSA-N 2 2 262.357 0.827 20 0 CCADLP C[N@H+]1CC[C@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000292488301 198307607 /nfs/dbraw/zinc/30/76/07/198307607.db2.gz FHBUGILZIONPEC-AWEZNQCLSA-N 2 2 262.357 0.827 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccnc(N)c2)CC1 ZINC000278313887 353292912 /nfs/dbraw/zinc/29/29/12/353292912.db2.gz BLLAPJVHXKQLOV-UHFFFAOYSA-N 2 2 272.356 0.720 20 0 CCADLP CCO[C@H](CC[NH+](C)C)CNC(=O)CCc1c[nH+]cn1C ZINC000279783353 353315790 /nfs/dbraw/zinc/31/57/90/353315790.db2.gz FPWKVCDPCQVGMQ-CQSZACIVSA-N 2 2 296.415 0.826 20 0 CCADLP CC(C)n1nccc1C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000280813086 353385187 /nfs/dbraw/zinc/38/51/87/353385187.db2.gz IHONBFZGZRNEHL-CQSZACIVSA-N 2 2 293.415 0.893 20 0 CCADLP CC(C)n1nccc1C[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000280813086 353385189 /nfs/dbraw/zinc/38/51/89/353385189.db2.gz IHONBFZGZRNEHL-CQSZACIVSA-N 2 2 293.415 0.893 20 0 CCADLP C[C@H](CNC(=O)C(C)(C)[NH+]1CCOCC1)Cn1cc[nH+]c1 ZINC000283053253 353477224 /nfs/dbraw/zinc/47/72/24/353477224.db2.gz BWJOZDZFLAVMKC-CYBMUJFWSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655458556 412581180 /nfs/dbraw/zinc/58/11/80/412581180.db2.gz RGERMQHIKLTCDX-GRYCIOLGSA-N 2 2 262.357 0.560 20 0 CCADLP OCc1cn(CCC[NH2+]Cc2cccc3[nH+]ccn32)nn1 ZINC000290003987 353700970 /nfs/dbraw/zinc/70/09/70/353700970.db2.gz YLMXCRRSNALACY-UHFFFAOYSA-N 2 2 286.339 0.598 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)N1CCn2c[nH+]cc2C1 ZINC000291310145 353778981 /nfs/dbraw/zinc/77/89/81/353778981.db2.gz PNVJNPZMCSHYLL-NSHDSACASA-N 2 2 265.361 0.749 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000293579258 353821720 /nfs/dbraw/zinc/82/17/20/353821720.db2.gz JOWJDMZAVPTERJ-ZDUSSCGKSA-N 2 2 294.399 0.316 20 0 CCADLP C[C@@H](O)CNc1cc(NCC[NH+]2CCOCC2)nc[nH+]1 ZINC000294135241 353871885 /nfs/dbraw/zinc/87/18/85/353871885.db2.gz ADMFZOLICJZQEX-LLVKDONJSA-N 2 2 281.360 0.013 20 0 CCADLP O=CN1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000294186195 353876784 /nfs/dbraw/zinc/87/67/84/353876784.db2.gz KPFLLZBCJTZFQA-UHFFFAOYSA-N 2 2 285.351 0.931 20 0 CCADLP O=CN1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000294186195 353876788 /nfs/dbraw/zinc/87/67/88/353876788.db2.gz KPFLLZBCJTZFQA-UHFFFAOYSA-N 2 2 285.351 0.931 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)NCCNc1cccc[nH+]1 ZINC000299488846 354020861 /nfs/dbraw/zinc/02/08/61/354020861.db2.gz KLUCXITUWKBRDX-UHFFFAOYSA-N 2 2 288.355 0.998 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)N1CC[NH+](C(C)C)CC1 ZINC000299616557 354032348 /nfs/dbraw/zinc/03/23/48/354032348.db2.gz ILQXJASKJBRINI-UHFFFAOYSA-N 2 2 279.388 0.927 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@H]2CCc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000300298539 354063878 /nfs/dbraw/zinc/06/38/78/354063878.db2.gz MPDORLLMDFODOQ-JKSUJKDBSA-N 2 2 287.407 0.893 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]2CCc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000300298539 354063883 /nfs/dbraw/zinc/06/38/83/354063883.db2.gz MPDORLLMDFODOQ-JKSUJKDBSA-N 2 2 287.407 0.893 20 0 CCADLP CC(C)[N@H+](CCCn1cc[nH+]c1)CCOCCO ZINC000306069947 354171841 /nfs/dbraw/zinc/17/18/41/354171841.db2.gz VXVYOASKKBDDJC-UHFFFAOYSA-N 2 2 255.362 0.993 20 0 CCADLP CC(C)[N@@H+](CCCn1cc[nH+]c1)CCOCCO ZINC000306069947 354171843 /nfs/dbraw/zinc/17/18/43/354171843.db2.gz VXVYOASKKBDDJC-UHFFFAOYSA-N 2 2 255.362 0.993 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+](CCO)Cc1ccccc1 ZINC000309833170 354187378 /nfs/dbraw/zinc/18/73/78/354187378.db2.gz HEPCBCCHYMNNGA-OAHLLOKOSA-N 2 2 266.385 0.794 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](CCO)Cc1ccccc1 ZINC000309833170 354187381 /nfs/dbraw/zinc/18/73/81/354187381.db2.gz HEPCBCCHYMNNGA-OAHLLOKOSA-N 2 2 266.385 0.794 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](CCO)Cc1ccccc1 ZINC000309833170 354187387 /nfs/dbraw/zinc/18/73/87/354187387.db2.gz HEPCBCCHYMNNGA-OAHLLOKOSA-N 2 2 266.385 0.794 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](CCO)Cc1ccccc1 ZINC000309833170 354187391 /nfs/dbraw/zinc/18/73/91/354187391.db2.gz HEPCBCCHYMNNGA-OAHLLOKOSA-N 2 2 266.385 0.794 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C[C@@H](C)O ZINC000311405163 354199786 /nfs/dbraw/zinc/19/97/86/354199786.db2.gz AXUBQRWZOLPAHQ-RDBSUJKOSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C[C@@H](C)O ZINC000311405163 354199790 /nfs/dbraw/zinc/19/97/90/354199790.db2.gz AXUBQRWZOLPAHQ-RDBSUJKOSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1C[C@@H](C)O ZINC000311405163 354199793 /nfs/dbraw/zinc/19/97/93/354199793.db2.gz AXUBQRWZOLPAHQ-RDBSUJKOSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1C[C@@H](C)O ZINC000311405163 354199797 /nfs/dbraw/zinc/19/97/97/354199797.db2.gz AXUBQRWZOLPAHQ-RDBSUJKOSA-N 2 2 274.405 0.161 20 0 CCADLP C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313339223 354212877 /nfs/dbraw/zinc/21/28/77/354212877.db2.gz BWBBNOVQEJRDCY-GXTWGEPZSA-N 2 2 283.416 0.873 20 0 CCADLP C[C@@H](C(=O)NC1CCCCC1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313339223 354212880 /nfs/dbraw/zinc/21/28/80/354212880.db2.gz BWBBNOVQEJRDCY-GXTWGEPZSA-N 2 2 283.416 0.873 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)CCc1[nH]cc[nH+]1 ZINC000329403467 354256125 /nfs/dbraw/zinc/25/61/25/354256125.db2.gz WSWSOIKOBOBBQH-OLZOCXBDSA-N 2 2 292.383 0.664 20 0 CCADLP CCOC[C@@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000331185704 354482884 /nfs/dbraw/zinc/48/28/84/354482884.db2.gz OONZEJNQDWRTQA-LBPRGKRZSA-N 2 2 253.346 0.987 20 0 CCADLP Cc1nccnc1[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000331340544 354542856 /nfs/dbraw/zinc/54/28/56/354542856.db2.gz MYXIFOWYAAYWDN-WCQYABFASA-N 2 2 250.346 0.502 20 0 CCADLP Cc1nccnc1[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000331340544 354542861 /nfs/dbraw/zinc/54/28/61/354542861.db2.gz MYXIFOWYAAYWDN-WCQYABFASA-N 2 2 250.346 0.502 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@H](C)[NH+]1CC(C)C1)[NH+]1CCOCC1 ZINC000557481449 291033976 /nfs/dbraw/zinc/03/39/76/291033976.db2.gz MHQVXSCZZUDROE-GJZGRUSLSA-N 2 2 297.443 0.800 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000332475606 354682260 /nfs/dbraw/zinc/68/22/60/354682260.db2.gz TZJXWUNJVLJUIN-RYUDHWBXSA-N 2 2 274.430 0.789 20 0 CCADLP COC(=O)CCNC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339434129 291040196 /nfs/dbraw/zinc/04/01/96/291040196.db2.gz RHXCSMAHPSGIOD-HNNXBMFYSA-N 2 2 297.399 0.083 20 0 CCADLP COC(=O)CCNC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339434129 291040202 /nfs/dbraw/zinc/04/02/02/291040202.db2.gz RHXCSMAHPSGIOD-HNNXBMFYSA-N 2 2 297.399 0.083 20 0 CCADLP COC(=O)CCNC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339434129 291040203 /nfs/dbraw/zinc/04/02/03/291040203.db2.gz RHXCSMAHPSGIOD-HNNXBMFYSA-N 2 2 297.399 0.083 20 0 CCADLP COC(=O)CCNC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339434129 291040206 /nfs/dbraw/zinc/04/02/06/291040206.db2.gz RHXCSMAHPSGIOD-HNNXBMFYSA-N 2 2 297.399 0.083 20 0 CCADLP C[NH+](C)C1(CNC(=O)N[C@@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000333775278 354791989 /nfs/dbraw/zinc/79/19/89/354791989.db2.gz ZAHSBSRLVTUTJV-GFCCVEGCSA-N 2 2 291.399 0.981 20 0 CCADLP C[C@@H]1[NH2+]CCN(C(=O)NCC2([NH+]3CCOCC3)CC2)[C@H]1C ZINC000333708685 354780541 /nfs/dbraw/zinc/78/05/41/354780541.db2.gz FDNKJEFGQJXUSJ-STQMWFEESA-N 2 2 296.415 0.243 20 0 CCADLP O=C(N[C@H]1CCC[NH2+]C1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000333735172 354785462 /nfs/dbraw/zinc/78/54/62/354785462.db2.gz WUTLLMVACHKXDK-UONOGXRCSA-N 2 2 296.415 0.245 20 0 CCADLP O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)NC[C@H]1CCCO1 ZINC000333819951 354800598 /nfs/dbraw/zinc/80/05/98/354800598.db2.gz HIRFYBUGJKFRPX-RBSFLKMASA-N 2 2 295.427 0.746 20 0 CCADLP O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)NC[C@H]1CCCO1 ZINC000333819951 354800601 /nfs/dbraw/zinc/80/06/01/354800601.db2.gz HIRFYBUGJKFRPX-RBSFLKMASA-N 2 2 295.427 0.746 20 0 CCADLP [NH3+]C1(CNC(=O)NCC2([NH+]3CCOCC3)CC2)CCC1 ZINC000333841640 354804438 /nfs/dbraw/zinc/80/44/38/354804438.db2.gz VEPJVNZGSBJHFD-UHFFFAOYSA-N 2 2 282.388 0.032 20 0 CCADLP CC[N@@H+]1CCC[C@H]([NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000557731802 291043715 /nfs/dbraw/zinc/04/37/15/291043715.db2.gz VNLSVESRJJRERU-AVERBVTBSA-N 2 2 294.399 0.581 20 0 CCADLP CC[N@H+]1CCC[C@H]([NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000557731802 291043716 /nfs/dbraw/zinc/04/37/16/291043716.db2.gz VNLSVESRJJRERU-AVERBVTBSA-N 2 2 294.399 0.581 20 0 CCADLP CC[N@@H+]1CCC[C@@H]([NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000557731806 291043854 /nfs/dbraw/zinc/04/38/54/291043854.db2.gz VNLSVESRJJRERU-MQYJIDSJSA-N 2 2 294.399 0.581 20 0 CCADLP CC[N@H+]1CCC[C@@H]([NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000557731806 291043857 /nfs/dbraw/zinc/04/38/57/291043857.db2.gz VNLSVESRJJRERU-MQYJIDSJSA-N 2 2 294.399 0.581 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000334186426 354856870 /nfs/dbraw/zinc/85/68/70/354856870.db2.gz GJEQUKLMRWEOFO-RYUDHWBXSA-N 2 2 262.357 0.830 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000334186426 354856872 /nfs/dbraw/zinc/85/68/72/354856872.db2.gz GJEQUKLMRWEOFO-RYUDHWBXSA-N 2 2 262.357 0.830 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](C)CC1(C)C)[NH+]1CCSCC1 ZINC000334436952 354865283 /nfs/dbraw/zinc/86/52/83/354865283.db2.gz QNQXWQZOKHMWMO-LBPRGKRZSA-N 2 2 285.457 0.976 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](C)CC1(C)C)[NH+]1CCSCC1 ZINC000334436952 354865288 /nfs/dbraw/zinc/86/52/88/354865288.db2.gz QNQXWQZOKHMWMO-LBPRGKRZSA-N 2 2 285.457 0.976 20 0 CCADLP C[N@@H+]1CC[C@@H]([NH2+]CCCS(N)(=O)=O)[C@@H]1c1ccccc1 ZINC000289307993 283058714 /nfs/dbraw/zinc/05/87/14/283058714.db2.gz AYOVXJSAGIRFMM-KGLIPLIRSA-N 2 2 297.424 0.700 20 0 CCADLP C[N@H+]1CC[C@@H]([NH2+]CCCS(N)(=O)=O)[C@@H]1c1ccccc1 ZINC000289307993 283058719 /nfs/dbraw/zinc/05/87/19/283058719.db2.gz AYOVXJSAGIRFMM-KGLIPLIRSA-N 2 2 297.424 0.700 20 0 CCADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(-n2cncn2)cc1 ZINC000423532015 235000594 /nfs/dbraw/zinc/00/05/94/235000594.db2.gz YYYYDBICYCZVKV-SWLSCSKDSA-N 2 2 287.367 0.906 20 0 CCADLP [NH3+][C@@H]1CCCN(C(=O)C2CC[NH+](CC(F)F)CC2)C1 ZINC000335032214 354942132 /nfs/dbraw/zinc/94/21/32/354942132.db2.gz ZETDFHAJYDAWIU-LLVKDONJSA-N 2 2 275.343 0.913 20 0 CCADLP C[C@@]1(C[NH3+])CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000423617998 235019889 /nfs/dbraw/zinc/01/98/89/235019889.db2.gz YMBYUPMHCFRAQC-HOCLYGCPSA-N 2 2 295.427 0.827 20 0 CCADLP C[C@@]1(C[NH3+])CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000423617998 235019893 /nfs/dbraw/zinc/01/98/93/235019893.db2.gz YMBYUPMHCFRAQC-HOCLYGCPSA-N 2 2 295.427 0.827 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000558348639 291052068 /nfs/dbraw/zinc/05/20/68/291052068.db2.gz BRRPQYIXBCQCER-UHFFFAOYSA-N 2 2 280.372 0.190 20 0 CCADLP C[C@H]1CC[NH2+][C@H](C(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000423754506 235059156 /nfs/dbraw/zinc/05/91/56/235059156.db2.gz YRYBJWMRCAFIFR-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP [NH3+]C1(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CCCCC1 ZINC000423765472 235066938 /nfs/dbraw/zinc/06/69/38/235066938.db2.gz XGDKFTWKTBFQBU-ZDUSSCGKSA-N 2 2 281.400 0.627 20 0 CCADLP [NH3+]C1(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CCCCC1 ZINC000423765472 235066942 /nfs/dbraw/zinc/06/69/42/235066942.db2.gz XGDKFTWKTBFQBU-ZDUSSCGKSA-N 2 2 281.400 0.627 20 0 CCADLP CN(C(=O)C[NH+](C)C)c1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000619324971 366236071 /nfs/dbraw/zinc/23/60/71/366236071.db2.gz ZCQANCHLPRIACG-UHFFFAOYSA-N 2 2 292.383 0.711 20 0 CCADLP [NH3+][C@@H]1C[C@@H]1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000424129706 235156912 /nfs/dbraw/zinc/15/69/12/235156912.db2.gz GNPHTTDUSZVLEW-NWDGAFQWSA-N 2 2 260.341 0.514 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000336727295 355151914 /nfs/dbraw/zinc/15/19/14/355151914.db2.gz LVTKBAHWPRICPW-NSHDSACASA-N 2 2 273.402 0.947 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000336727295 355151917 /nfs/dbraw/zinc/15/19/17/355151917.db2.gz LVTKBAHWPRICPW-NSHDSACASA-N 2 2 273.402 0.947 20 0 CCADLP CN1CC[NH+](CC2CC[NH+](Cc3csnn3)CC2)CC1 ZINC000336834334 355207090 /nfs/dbraw/zinc/20/70/90/355207090.db2.gz HXCAEGMJBRKZCS-UHFFFAOYSA-N 2 2 295.456 0.998 20 0 CCADLP CCCCNC(=O)[C@@H](C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000336840381 355210490 /nfs/dbraw/zinc/21/04/90/355210490.db2.gz PVAMRTDAIDNCMO-ZIAGYGMSSA-N 2 2 282.432 0.271 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000336802268 355177187 /nfs/dbraw/zinc/17/71/87/355177187.db2.gz TVXUPJOPQHGVOH-CYBMUJFWSA-N 2 2 283.397 0.843 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000336802268 355177190 /nfs/dbraw/zinc/17/71/90/355177190.db2.gz TVXUPJOPQHGVOH-CYBMUJFWSA-N 2 2 283.397 0.843 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000336805014 355181630 /nfs/dbraw/zinc/18/16/30/355181630.db2.gz QIXIHDKQBPINQU-CYBMUJFWSA-N 2 2 262.357 0.888 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000336805014 355181632 /nfs/dbraw/zinc/18/16/32/355181632.db2.gz QIXIHDKQBPINQU-CYBMUJFWSA-N 2 2 262.357 0.888 20 0 CCADLP COCC[N@@H+]1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000558558071 291060127 /nfs/dbraw/zinc/06/01/27/291060127.db2.gz WJBTZDSIBKZKAY-UHFFFAOYSA-N 2 2 280.372 0.143 20 0 CCADLP COCC[N@H+]1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000558558071 291060128 /nfs/dbraw/zinc/06/01/28/291060128.db2.gz WJBTZDSIBKZKAY-UHFFFAOYSA-N 2 2 280.372 0.143 20 0 CCADLP O=C1NCCC[C@@H]1[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000336825822 355200496 /nfs/dbraw/zinc/20/04/96/355200496.db2.gz ZVJVHUUKUFXWNM-KBPBESRZSA-N 2 2 281.400 0.309 20 0 CCADLP O=C1NCCC[C@@H]1[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000336825822 355200498 /nfs/dbraw/zinc/20/04/98/355200498.db2.gz ZVJVHUUKUFXWNM-KBPBESRZSA-N 2 2 281.400 0.309 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@](O)(C(F)(F)F)C1)C1CC1 ZINC000336830102 355204372 /nfs/dbraw/zinc/20/43/72/355204372.db2.gz BLGZIINFVFAJBQ-RYUDHWBXSA-N 2 2 296.333 0.831 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@](O)(C(F)(F)F)C1)C1CC1 ZINC000336830102 355204375 /nfs/dbraw/zinc/20/43/75/355204375.db2.gz BLGZIINFVFAJBQ-RYUDHWBXSA-N 2 2 296.333 0.831 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1)C1CC1 ZINC000336830102 355204380 /nfs/dbraw/zinc/20/43/80/355204380.db2.gz BLGZIINFVFAJBQ-RYUDHWBXSA-N 2 2 296.333 0.831 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@](O)(C(F)(F)F)C1)C1CC1 ZINC000336830102 355204383 /nfs/dbraw/zinc/20/43/83/355204383.db2.gz BLGZIINFVFAJBQ-RYUDHWBXSA-N 2 2 296.333 0.831 20 0 CCADLP COCCN1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000336889598 355220460 /nfs/dbraw/zinc/22/04/60/355220460.db2.gz GJPGYBVNPOVVFC-CQSZACIVSA-N 2 2 267.417 0.924 20 0 CCADLP C[N@H+](C[C@@](C)(O)C(F)(F)F)C1CC[NH+](CCO)CC1 ZINC000337142296 355272868 /nfs/dbraw/zinc/27/28/68/355272868.db2.gz TYBQZSKBJMWDQH-LLVKDONJSA-N 2 2 284.322 0.688 20 0 CCADLP C[N@@H+](C[C@@](C)(O)C(F)(F)F)C1CC[NH+](CCO)CC1 ZINC000337142296 355272873 /nfs/dbraw/zinc/27/28/73/355272873.db2.gz TYBQZSKBJMWDQH-LLVKDONJSA-N 2 2 284.322 0.688 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000339169941 355499293 /nfs/dbraw/zinc/49/92/93/355499293.db2.gz KLPQGLXDTSREJM-OCCSQVGLSA-N 2 2 276.384 0.905 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000339169941 355499295 /nfs/dbraw/zinc/49/92/95/355499295.db2.gz KLPQGLXDTSREJM-OCCSQVGLSA-N 2 2 276.384 0.905 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC(F)F)CC1 ZINC000340251298 355539248 /nfs/dbraw/zinc/53/92/48/355539248.db2.gz JDJAKEYHNVKYGW-UHFFFAOYSA-N 2 2 278.347 0.577 20 0 CCADLP CN(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@H]1CCOC1 ZINC000340256800 355540190 /nfs/dbraw/zinc/54/01/90/355540190.db2.gz VZAOKVIZMVUHBA-AWEZNQCLSA-N 2 2 298.431 0.443 20 0 CCADLP COCCC[N@H+](C)CC[NH2+][C@@H](C)C(C)(C)n1cncn1 ZINC000340489176 355562142 /nfs/dbraw/zinc/56/21/42/355562142.db2.gz QZGFBVXUWLRDQC-ZDUSSCGKSA-N 2 2 283.420 0.960 20 0 CCADLP COCCC[N@@H+](C)CC[NH2+][C@@H](C)C(C)(C)n1cncn1 ZINC000340489176 355562143 /nfs/dbraw/zinc/56/21/43/355562143.db2.gz QZGFBVXUWLRDQC-ZDUSSCGKSA-N 2 2 283.420 0.960 20 0 CCADLP C[C@H]1[C@@H](CO)CC[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425338785 235287395 /nfs/dbraw/zinc/28/73/95/235287395.db2.gz QFXGSIZBDVVQNE-WDEREUQCSA-N 2 2 252.362 0.689 20 0 CCADLP C[C@H]1[C@@H](CO)CC[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425338785 235287397 /nfs/dbraw/zinc/28/73/97/235287397.db2.gz QFXGSIZBDVVQNE-WDEREUQCSA-N 2 2 252.362 0.689 20 0 CCADLP CO[C@H](C[N@H+](C)C1CC[NH+](CCO)CC1)C1CC1 ZINC000425392432 235292196 /nfs/dbraw/zinc/29/21/96/235292196.db2.gz GUFLZIHGVKGFCT-CQSZACIVSA-N 2 2 256.390 0.800 20 0 CCADLP CO[C@H](C[N@@H+](C)C1CC[NH+](CCO)CC1)C1CC1 ZINC000425392432 235292197 /nfs/dbraw/zinc/29/21/97/235292197.db2.gz GUFLZIHGVKGFCT-CQSZACIVSA-N 2 2 256.390 0.800 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1nccn1C ZINC000341704032 355718577 /nfs/dbraw/zinc/71/85/77/355718577.db2.gz ZQJWBMCZYNRRRV-NWDGAFQWSA-N 2 2 279.388 0.411 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1nccn1C ZINC000341704032 355718580 /nfs/dbraw/zinc/71/85/80/355718580.db2.gz ZQJWBMCZYNRRRV-NWDGAFQWSA-N 2 2 279.388 0.411 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CC[NH2+]CC1(F)F)[NH+]1CCOCC1 ZINC000342765170 355740728 /nfs/dbraw/zinc/74/07/28/355740728.db2.gz MJXOYMSHOWTYSI-QWRGUYRKSA-N 2 2 291.342 0.068 20 0 CCADLP Cc1c[nH+]c(CN2CC[C@H](C[NH+]3CCOCC3)C2)n1C ZINC000342773351 355743635 /nfs/dbraw/zinc/74/36/35/355743635.db2.gz CCNAJWNFRHHTOL-CQSZACIVSA-N 2 2 278.400 0.883 20 0 CCADLP CS[C@@H]1CN([C@@H](C)C[NH+]2CCOCC2)C[C@H]1[NH+](C)C ZINC000343618257 355776698 /nfs/dbraw/zinc/77/66/98/355776698.db2.gz FCLOHHBPLBFYAD-BFHYXJOUSA-N 2 2 287.473 0.685 20 0 CCADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000345376793 355808893 /nfs/dbraw/zinc/80/88/93/355808893.db2.gz CIZRZUDSAORRLB-ONGXEEELSA-N 2 2 286.326 0.941 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC000345440575 355826184 /nfs/dbraw/zinc/82/61/84/355826184.db2.gz ZRUDJPXBLHPODK-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC000345440575 355826189 /nfs/dbraw/zinc/82/61/89/355826189.db2.gz ZRUDJPXBLHPODK-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc(C(N)=O)co1 ZINC000427856727 235384282 /nfs/dbraw/zinc/38/42/82/235384282.db2.gz XFBZIMVWSAXPIR-BXKDBHETSA-N 2 2 251.330 0.808 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc(C(N)=O)co1 ZINC000427856727 235384283 /nfs/dbraw/zinc/38/42/83/235384283.db2.gz XFBZIMVWSAXPIR-BXKDBHETSA-N 2 2 251.330 0.808 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428035141 235391450 /nfs/dbraw/zinc/39/14/50/235391450.db2.gz UYOHHYQJQKNVAW-MQYQWHSLSA-N 2 2 281.400 0.354 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428035141 235391453 /nfs/dbraw/zinc/39/14/53/235391453.db2.gz UYOHHYQJQKNVAW-MQYQWHSLSA-N 2 2 281.400 0.354 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000348373009 355921345 /nfs/dbraw/zinc/92/13/45/355921345.db2.gz PJOJFJHFMSPRLE-ZBFHGGJFSA-N 2 2 297.443 0.776 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000348373009 355921346 /nfs/dbraw/zinc/92/13/46/355921346.db2.gz PJOJFJHFMSPRLE-ZBFHGGJFSA-N 2 2 297.443 0.776 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000347543526 355880216 /nfs/dbraw/zinc/88/02/16/355880216.db2.gz QUPXOXAGOOEEKD-CHWSQXEVSA-N 2 2 289.445 0.614 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000347543526 355880220 /nfs/dbraw/zinc/88/02/20/355880220.db2.gz QUPXOXAGOOEEKD-CHWSQXEVSA-N 2 2 289.445 0.614 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000347543526 355880223 /nfs/dbraw/zinc/88/02/23/355880223.db2.gz QUPXOXAGOOEEKD-CHWSQXEVSA-N 2 2 289.445 0.614 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000347543526 355880228 /nfs/dbraw/zinc/88/02/28/355880228.db2.gz QUPXOXAGOOEEKD-CHWSQXEVSA-N 2 2 289.445 0.614 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000348239451 355894814 /nfs/dbraw/zinc/89/48/14/355894814.db2.gz IQEHNLYSXBLPMC-AWEZNQCLSA-N 2 2 293.367 0.816 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000348239451 355894818 /nfs/dbraw/zinc/89/48/18/355894818.db2.gz IQEHNLYSXBLPMC-AWEZNQCLSA-N 2 2 293.367 0.816 20 0 CCADLP C[NH+](C)Cc1nc(CC2=[NH+][C@H]3CCCC[C@@H]3N2)no1 ZINC000350659190 355997505 /nfs/dbraw/zinc/99/75/05/355997505.db2.gz PWRWMHMPTKCESE-UWVGGRQHSA-N 2 2 263.345 0.987 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@@H](F)C3)C2)CC1 ZINC000655552296 412618140 /nfs/dbraw/zinc/61/81/40/412618140.db2.gz STXHYXXULDHLSK-OLZOCXBDSA-N 2 2 298.406 0.908 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@@H](F)C3)C2)CC1 ZINC000655552296 412618142 /nfs/dbraw/zinc/61/81/42/412618142.db2.gz STXHYXXULDHLSK-OLZOCXBDSA-N 2 2 298.406 0.908 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[C@@H](F)C3)C2)CC1 ZINC000655552295 412618311 /nfs/dbraw/zinc/61/83/11/412618311.db2.gz STXHYXXULDHLSK-CHWSQXEVSA-N 2 2 298.406 0.908 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[C@@H](F)C3)C2)CC1 ZINC000655552295 412618312 /nfs/dbraw/zinc/61/83/12/412618312.db2.gz STXHYXXULDHLSK-CHWSQXEVSA-N 2 2 298.406 0.908 20 0 CCADLP CN(C)c1nccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000352718499 356062053 /nfs/dbraw/zinc/06/20/53/356062053.db2.gz KJRVTAXIDSCAEY-CQSZACIVSA-N 2 2 290.415 0.022 20 0 CCADLP CCCN(CC[NH+]1CCCC1)C[C@H](O)C[NH+]1CCOCC1 ZINC000352889010 356103438 /nfs/dbraw/zinc/10/34/38/356103438.db2.gz RVLRBKHLIBYERA-INIZCTEOSA-N 2 2 299.459 0.487 20 0 CCADLP O=C(Cc1cn2ccccc2[nH+]1)NC[C@H]1CC[NH2+]C1 ZINC000272999782 192014098 /nfs/dbraw/zinc/01/40/98/192014098.db2.gz HDOHZUZDFWOLIJ-NSHDSACASA-N 2 2 258.325 0.603 20 0 CCADLP COc1cccc(C[N@@H+](C)C2CC[NH+](CCO)CC2)n1 ZINC000353134274 356161310 /nfs/dbraw/zinc/16/13/10/356161310.db2.gz CCAASGXBQVZXQE-UHFFFAOYSA-N 2 2 279.384 0.979 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000353567368 356251159 /nfs/dbraw/zinc/25/11/59/356251159.db2.gz NNLFNVPZMTZQIN-FZMZJTMJSA-N 2 2 279.388 0.233 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCn1cc(CO)nn1 ZINC000353567368 356251160 /nfs/dbraw/zinc/25/11/60/356251160.db2.gz NNLFNVPZMTZQIN-FZMZJTMJSA-N 2 2 279.388 0.233 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000353628584 356261220 /nfs/dbraw/zinc/26/12/20/356261220.db2.gz GXHJYCQGBZIQNK-UHFFFAOYSA-N 2 2 282.307 0.984 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)[C@H]2CCC[C@H]21 ZINC000353506814 356241547 /nfs/dbraw/zinc/24/15/47/356241547.db2.gz ZTVUACBTDNVGJM-XUWVNRHRSA-N 3 2 281.444 0.906 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)[C@H]2CCC[C@H]21 ZINC000353506814 356241550 /nfs/dbraw/zinc/24/15/50/356241550.db2.gz ZTVUACBTDNVGJM-XUWVNRHRSA-N 3 2 281.444 0.906 20 0 CCADLP CC[C@@H]1CN(C(=O)C2([NH3+])CC2)C[C@H]1[NH+]1CCOCC1 ZINC000353723316 356280683 /nfs/dbraw/zinc/28/06/83/356280683.db2.gz IMCULYYJVABMQX-VXGBXAGGSA-N 2 2 267.373 0.047 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000361109590 138022285 /nfs/dbraw/zinc/02/22/85/138022285.db2.gz NHOOQTSFCTWPQC-OWCLPIDISA-N 3 2 282.476 0.800 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000361109590 138022286 /nfs/dbraw/zinc/02/22/86/138022286.db2.gz NHOOQTSFCTWPQC-OWCLPIDISA-N 3 2 282.476 0.800 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000362084685 138045995 /nfs/dbraw/zinc/04/59/95/138045995.db2.gz DOXAGUOCPKYXSX-KGLIPLIRSA-N 2 2 298.431 0.300 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000362084685 138045996 /nfs/dbraw/zinc/04/59/96/138045996.db2.gz DOXAGUOCPKYXSX-KGLIPLIRSA-N 2 2 298.431 0.300 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000362084686 138046039 /nfs/dbraw/zinc/04/60/39/138046039.db2.gz DOXAGUOCPKYXSX-UONOGXRCSA-N 2 2 298.431 0.300 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000362084686 138046040 /nfs/dbraw/zinc/04/60/40/138046040.db2.gz DOXAGUOCPKYXSX-UONOGXRCSA-N 2 2 298.431 0.300 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000354264416 356377895 /nfs/dbraw/zinc/37/78/95/356377895.db2.gz DPXJEZPTXIXLEI-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000354264416 356377901 /nfs/dbraw/zinc/37/79/01/356377901.db2.gz DPXJEZPTXIXLEI-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCOCC2)C[C@H]1C ZINC000354226618 356370130 /nfs/dbraw/zinc/37/01/30/356370130.db2.gz XCFBDNBAUORERS-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCOCC2)C[C@H]1C ZINC000354226618 356370134 /nfs/dbraw/zinc/37/01/34/356370134.db2.gz XCFBDNBAUORERS-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCOCC2)C[C@H]1C ZINC000354226618 356370137 /nfs/dbraw/zinc/37/01/37/356370137.db2.gz XCFBDNBAUORERS-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCOCC2)C[C@H]1C ZINC000354226618 356370140 /nfs/dbraw/zinc/37/01/40/356370140.db2.gz XCFBDNBAUORERS-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP O=C(NCC[NH+]1CCSCC1)[C@@H]1CCCc2[nH+]ccn21 ZINC000354408141 356408070 /nfs/dbraw/zinc/40/80/70/356408070.db2.gz VXLXSBAHEJOOSR-LBPRGKRZSA-N 2 2 294.424 0.926 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000331738276 283165079 /nfs/dbraw/zinc/16/50/79/283165079.db2.gz WDVHYZVDBQFPSC-KKUMJFAQSA-N 3 2 261.369 0.787 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000331738276 283165085 /nfs/dbraw/zinc/16/50/85/283165085.db2.gz WDVHYZVDBQFPSC-KKUMJFAQSA-N 3 2 261.369 0.787 20 0 CCADLP CCOC(=O)c1c[nH+]ccc1NC[C@H]1C[N@H+](C)CCN1C ZINC000619481133 366265066 /nfs/dbraw/zinc/26/50/66/366265066.db2.gz IUEKXERELFGXJD-LBPRGKRZSA-N 2 2 292.383 0.338 20 0 CCADLP CCOC(=O)c1c[nH+]ccc1NC[C@H]1C[N@@H+](C)CCN1C ZINC000619481133 366265072 /nfs/dbraw/zinc/26/50/72/366265072.db2.gz IUEKXERELFGXJD-LBPRGKRZSA-N 2 2 292.383 0.338 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000333475029 295925514 /nfs/dbraw/zinc/92/55/14/295925514.db2.gz BHQXRLRMSZRZHD-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCC(=O)NC(N)=O)C1 ZINC000609385977 363493929 /nfs/dbraw/zinc/49/39/29/363493929.db2.gz IZLRZBIJXHNJBU-SNVBAGLBSA-N 2 2 256.350 0.034 20 0 CCADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000609385977 363493932 /nfs/dbraw/zinc/49/39/32/363493932.db2.gz IZLRZBIJXHNJBU-SNVBAGLBSA-N 2 2 256.350 0.034 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC(=O)NC2CC2)C[C@H]1C ZINC000610133318 363538496 /nfs/dbraw/zinc/53/84/96/363538496.db2.gz DHBIWVRSRANZFB-YPMHNXCESA-N 2 2 296.415 0.779 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC(=O)NC2CC2)C[C@H]1C ZINC000610133318 363538499 /nfs/dbraw/zinc/53/84/99/363538499.db2.gz DHBIWVRSRANZFB-YPMHNXCESA-N 2 2 296.415 0.779 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC(=O)NC2CC2)C[C@H]1C ZINC000610133318 363538505 /nfs/dbraw/zinc/53/85/05/363538505.db2.gz DHBIWVRSRANZFB-YPMHNXCESA-N 2 2 296.415 0.779 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC(=O)NC2CC2)C[C@H]1C ZINC000610133318 363538507 /nfs/dbraw/zinc/53/85/07/363538507.db2.gz DHBIWVRSRANZFB-YPMHNXCESA-N 2 2 296.415 0.779 20 0 CCADLP C[C@H](C[NH3+])C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000357242504 356769700 /nfs/dbraw/zinc/76/97/00/356769700.db2.gz OYZRNMPSPMBLIW-OLZOCXBDSA-N 2 2 269.389 0.295 20 0 CCADLP C[C@H](C(=O)NCCc1ccccc1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359309752 356799859 /nfs/dbraw/zinc/79/98/59/356799859.db2.gz RVOLKRMMOWFBAJ-KBMXLJTQSA-N 2 2 287.407 0.885 20 0 CCADLP CCCN(CCC[NH+](C)C)C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000347902903 283221407 /nfs/dbraw/zinc/22/14/07/283221407.db2.gz KXVXJLHEIYQDJO-OAHLLOKOSA-N 2 2 298.475 0.813 20 0 CCADLP CC[NH+]1CCN([C@@H](C)CNc2cc[nH+]c(C)n2)CC1 ZINC000360219904 356972082 /nfs/dbraw/zinc/97/20/82/356972082.db2.gz WXAKEEAKBVXBAH-LBPRGKRZSA-N 2 2 263.389 0.645 20 0 CCADLP C[C@H]1CC[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CS1 ZINC000655701540 412648127 /nfs/dbraw/zinc/64/81/27/412648127.db2.gz GVFFYODRHAFADY-RYUDHWBXSA-N 2 2 271.430 0.634 20 0 CCADLP COCCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364232306 357100277 /nfs/dbraw/zinc/10/02/77/357100277.db2.gz XTKCYZDDPLBSSW-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP COCCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364232306 357100278 /nfs/dbraw/zinc/10/02/78/357100278.db2.gz XTKCYZDDPLBSSW-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP COC[C@@H](CCO)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655726785 412651955 /nfs/dbraw/zinc/65/19/55/412651955.db2.gz PRLYOSJCIYOOJU-ZIAGYGMSSA-N 2 2 272.389 0.227 20 0 CCADLP Nc1[nH+]cnc(N2CC[N@@H+]3CCOC[C@H]3C2)c1Cl ZINC000375941679 357418130 /nfs/dbraw/zinc/41/81/30/357418130.db2.gz MJGXMSNHMRHBIJ-MRVPVSSYSA-N 2 2 269.736 0.233 20 0 CCADLP Nc1[nH+]cnc(N2CC[N@H+]3CCOC[C@H]3C2)c1Cl ZINC000375941679 357418131 /nfs/dbraw/zinc/41/81/31/357418131.db2.gz MJGXMSNHMRHBIJ-MRVPVSSYSA-N 2 2 269.736 0.233 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCO[C@@H]3CCC[C@H]32)CC1 ZINC000376149896 357437770 /nfs/dbraw/zinc/43/77/70/357437770.db2.gz KCLFVNJWDHBUCX-CHWSQXEVSA-N 2 2 267.373 0.014 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCO[C@@H]3CCC[C@H]32)CC1 ZINC000376149896 357437777 /nfs/dbraw/zinc/43/77/77/357437777.db2.gz KCLFVNJWDHBUCX-CHWSQXEVSA-N 2 2 267.373 0.014 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cc(-c2cccnc2)n[nH]1 ZINC000376534676 357478351 /nfs/dbraw/zinc/47/83/51/357478351.db2.gz HIZWRKFMZRCYSJ-OAHLLOKOSA-N 2 2 289.383 0.874 20 0 CCADLP O=C(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)NCC1CC1 ZINC000655753144 412655173 /nfs/dbraw/zinc/65/51/73/412655173.db2.gz WKQBRMSZNNNDQL-AWEZNQCLSA-N 2 2 281.400 0.356 20 0 CCADLP COCC[N@H+](C)CCC[NH2+]Cc1ccnc(OC)n1 ZINC000449074830 236014674 /nfs/dbraw/zinc/01/46/74/236014674.db2.gz CQIUJXWOUYORBE-UHFFFAOYSA-N 2 2 268.361 0.543 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+]Cc1ccnc(OC)n1 ZINC000449074830 236014676 /nfs/dbraw/zinc/01/46/76/236014676.db2.gz CQIUJXWOUYORBE-UHFFFAOYSA-N 2 2 268.361 0.543 20 0 CCADLP CN(C)C1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655777805 412659664 /nfs/dbraw/zinc/65/96/64/412659664.db2.gz ZMRUVWVEBWOTIL-AWEZNQCLSA-N 2 2 267.417 0.924 20 0 CCADLP O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394381763 357755817 /nfs/dbraw/zinc/75/58/17/357755817.db2.gz SVNVQRWIUBHCOS-GJZGRUSLSA-N 2 2 294.443 0.272 20 0 CCADLP O=C(CC[C@@H]1CCC[NH2+]C1)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000394381763 357755819 /nfs/dbraw/zinc/75/58/19/357755819.db2.gz SVNVQRWIUBHCOS-GJZGRUSLSA-N 2 2 294.443 0.272 20 0 CCADLP C[C@H]1C[N@H+](CCO)CCN1Cc1c[nH+]c2ccccn12 ZINC000449786750 236052140 /nfs/dbraw/zinc/05/21/40/236052140.db2.gz PXEDHHSFBICZKH-ZDUSSCGKSA-N 2 2 274.368 0.833 20 0 CCADLP C[C@H]1C[N@@H+](CCO)CCN1Cc1c[nH+]c2ccccn12 ZINC000449786750 236052144 /nfs/dbraw/zinc/05/21/44/236052144.db2.gz PXEDHHSFBICZKH-ZDUSSCGKSA-N 2 2 274.368 0.833 20 0 CCADLP C[C@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCCC[NH2+]1 ZINC000400186355 357788883 /nfs/dbraw/zinc/78/88/83/357788883.db2.gz RNVQQFMAUGKJTI-SDDRHHMPSA-N 2 2 275.418 0.141 20 0 CCADLP C[C@H](CNC(=O)[C@@H](C)[NH+]1CC(C)C1)C[NH+]1CCN(C)CC1 ZINC000561266742 291125123 /nfs/dbraw/zinc/12/51/23/291125123.db2.gz XJYFQGMAQWEZDJ-UKRRQHHQSA-N 2 2 296.459 0.326 20 0 CCADLP C[C@H](CNC(=O)[C@@H](C)[NH+]1CC(C)C1)CN1CC[NH+](C)CC1 ZINC000561266742 291125125 /nfs/dbraw/zinc/12/51/25/291125125.db2.gz XJYFQGMAQWEZDJ-UKRRQHHQSA-N 2 2 296.459 0.326 20 0 CCADLP CC(C)[N@H+](C)CC[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000561446445 291129376 /nfs/dbraw/zinc/12/93/76/291129376.db2.gz VSCZVYFAFDIOSH-UHFFFAOYSA-N 2 2 282.388 0.437 20 0 CCADLP CC(C)[N@@H+](C)CC[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000561446445 291129381 /nfs/dbraw/zinc/12/93/81/291129381.db2.gz VSCZVYFAFDIOSH-UHFFFAOYSA-N 2 2 282.388 0.437 20 0 CCADLP C[C@@H](CNC(=O)N(C)CCCn1cc[nH+]c1)[NH+](C)C ZINC000455434073 236335635 /nfs/dbraw/zinc/33/56/35/236335635.db2.gz POZBQEJBVUUHSA-LBPRGKRZSA-N 2 2 267.377 0.865 20 0 CCADLP C[C@H](C[NH3+])N(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000416826958 358128430 /nfs/dbraw/zinc/12/84/30/358128430.db2.gz NAXGDRWFHXVKBB-LLVKDONJSA-N 2 2 272.393 0.086 20 0 CCADLP O=C(NCCC[NH2+]C1CC1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000418225562 358149479 /nfs/dbraw/zinc/14/94/79/358149479.db2.gz XPMUSNKBWPQBJS-CQSZACIVSA-N 2 2 296.415 0.291 20 0 CCADLP O=C(NCCC[NH2+]C1CC1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000418225562 358149482 /nfs/dbraw/zinc/14/94/82/358149482.db2.gz XPMUSNKBWPQBJS-CQSZACIVSA-N 2 2 296.415 0.291 20 0 CCADLP CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000420291304 358179505 /nfs/dbraw/zinc/17/95/05/358179505.db2.gz NDORKSSLUMLQMC-VXGBXAGGSA-N 2 2 277.434 0.375 20 0 CCADLP CCS(=O)(=O)NCCC[N@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000420291304 358179507 /nfs/dbraw/zinc/17/95/07/358179507.db2.gz NDORKSSLUMLQMC-VXGBXAGGSA-N 2 2 277.434 0.375 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCN1CCO[C@H](C)C1 ZINC000420278686 358179535 /nfs/dbraw/zinc/17/95/35/358179535.db2.gz WCIOKFZOZJMMDU-HZSPNIEDSA-N 2 2 255.406 0.909 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCN1CCO[C@H](C)C1 ZINC000420278686 358179536 /nfs/dbraw/zinc/17/95/36/358179536.db2.gz WCIOKFZOZJMMDU-HZSPNIEDSA-N 2 2 255.406 0.909 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420360365 358179959 /nfs/dbraw/zinc/17/99/59/358179959.db2.gz LYPWQTRSNZBNHE-JQWIXIFHSA-N 2 2 284.404 0.718 20 0 CCADLP C[NH2+]CCC[N@H+](C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000420363011 358180834 /nfs/dbraw/zinc/18/08/34/358180834.db2.gz OQQGDAWDCOABBH-LLVKDONJSA-N 2 2 285.413 0.936 20 0 CCADLP C[NH2+]CCC[N@@H+](C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000420363011 358180836 /nfs/dbraw/zinc/18/08/36/358180836.db2.gz OQQGDAWDCOABBH-LLVKDONJSA-N 2 2 285.413 0.936 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1C[C@H](F)C[NH2+]1)Cn1cc[nH+]c1 ZINC000188734118 295967108 /nfs/dbraw/zinc/96/71/08/295967108.db2.gz DNOFREUVYZLEHI-GARJFASQSA-N 2 2 254.309 0.335 20 0 CCADLP C[C@@H](C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000424053857 358208564 /nfs/dbraw/zinc/20/85/64/358208564.db2.gz AFWBYYIKWNLBNC-QPSCCSFWSA-N 2 2 296.459 0.454 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(=O)NC(C)(C)C)C1 ZINC000430604428 358228217 /nfs/dbraw/zinc/22/82/17/358228217.db2.gz NDSWYYLCFPXFOJ-RYUDHWBXSA-N 2 2 298.431 0.931 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC(=O)NC(C)(C)C)C1 ZINC000430604428 358228219 /nfs/dbraw/zinc/22/82/19/358228219.db2.gz NDSWYYLCFPXFOJ-RYUDHWBXSA-N 2 2 298.431 0.931 20 0 CCADLP C[C@H](C[NH3+])[N@H+](C)CCN1C(=O)NC2(CCCC2)C1=O ZINC000430964088 358230760 /nfs/dbraw/zinc/23/07/60/358230760.db2.gz XQJCNYDXEOOMAQ-SNVBAGLBSA-N 2 2 268.361 0.130 20 0 CCADLP C[C@H](C[NH3+])[N@@H+](C)CCN1C(=O)NC2(CCCC2)C1=O ZINC000430964088 358230761 /nfs/dbraw/zinc/23/07/61/358230761.db2.gz XQJCNYDXEOOMAQ-SNVBAGLBSA-N 2 2 268.361 0.130 20 0 CCADLP C[C@@H](C(=O)NCC[C@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000458173841 358277166 /nfs/dbraw/zinc/27/71/66/358277166.db2.gz RWZWVXSGKMOJLS-UONOGXRCSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H](C(=O)NCC[C@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000458173841 358277167 /nfs/dbraw/zinc/27/71/67/358277167.db2.gz RWZWVXSGKMOJLS-UONOGXRCSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1Cc2ccccc2NC1=O ZINC000530225546 358382120 /nfs/dbraw/zinc/38/21/20/358382120.db2.gz OJVMMOJDUPYONE-OSAQELSMSA-N 2 2 289.379 0.906 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH+]1CCO[C@H](C)C1 ZINC000531056570 358438217 /nfs/dbraw/zinc/43/82/17/358438217.db2.gz TVUHJYBXXQZEIN-HZSPNIEDSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH+]1CCO[C@H](C)C1 ZINC000531056570 358438220 /nfs/dbraw/zinc/43/82/20/358438220.db2.gz TVUHJYBXXQZEIN-HZSPNIEDSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000531056570 358438227 /nfs/dbraw/zinc/43/82/27/358438227.db2.gz TVUHJYBXXQZEIN-HZSPNIEDSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000531056570 358438232 /nfs/dbraw/zinc/43/82/32/358438232.db2.gz TVUHJYBXXQZEIN-HZSPNIEDSA-N 2 2 283.416 0.696 20 0 CCADLP COc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1F ZINC000565586426 358562837 /nfs/dbraw/zinc/56/28/37/358562837.db2.gz WDQGWTWPOPIELV-NSHDSACASA-N 2 2 296.346 0.941 20 0 CCADLP COc1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1F ZINC000565586426 358562841 /nfs/dbraw/zinc/56/28/41/358562841.db2.gz WDQGWTWPOPIELV-NSHDSACASA-N 2 2 296.346 0.941 20 0 CCADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]CCC(=O)NC(N)=O ZINC000567677958 358569796 /nfs/dbraw/zinc/56/97/96/358569796.db2.gz GFOLYCIMSWQDKR-JTQLQIEISA-N 2 2 256.350 0.035 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000567869452 358602646 /nfs/dbraw/zinc/60/26/46/358602646.db2.gz NABLOOSAJSUYFT-TZMCWYRMSA-N 2 2 296.415 0.243 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567889737 358607521 /nfs/dbraw/zinc/60/75/21/358607521.db2.gz PLLQBSNCIATDGW-HIFRSBDPSA-N 2 2 283.416 0.603 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567889737 358607523 /nfs/dbraw/zinc/60/75/23/358607523.db2.gz PLLQBSNCIATDGW-HIFRSBDPSA-N 2 2 283.416 0.603 20 0 CCADLP C[C@H]([NH3+])C1CC[NH+](Cc2ncnn2CCF)CC1 ZINC000567893096 358608490 /nfs/dbraw/zinc/60/84/90/358608490.db2.gz XRZZAVJETZWYDO-JTQLQIEISA-N 2 2 255.341 0.807 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000568181840 358643265 /nfs/dbraw/zinc/64/32/65/358643265.db2.gz AYKOGWHQFKIHEJ-NEPJUHHUSA-N 2 2 267.377 0.215 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000568181840 358643266 /nfs/dbraw/zinc/64/32/66/358643266.db2.gz AYKOGWHQFKIHEJ-NEPJUHHUSA-N 2 2 267.377 0.215 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000568181840 358643267 /nfs/dbraw/zinc/64/32/67/358643267.db2.gz AYKOGWHQFKIHEJ-NEPJUHHUSA-N 2 2 267.377 0.215 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000568181840 358643268 /nfs/dbraw/zinc/64/32/68/358643268.db2.gz AYKOGWHQFKIHEJ-NEPJUHHUSA-N 2 2 267.377 0.215 20 0 CCADLP Cc1nc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nc(N(C)C)[nH+]1 ZINC000562535982 291157600 /nfs/dbraw/zinc/15/76/00/291157600.db2.gz RJQUKNIDRMSSLO-YOGCLGLASA-N 2 2 276.388 0.705 20 0 CCADLP Cc1nc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nc(N(C)C)[nH+]1 ZINC000562535982 291157601 /nfs/dbraw/zinc/15/76/01/291157601.db2.gz RJQUKNIDRMSSLO-YOGCLGLASA-N 2 2 276.388 0.705 20 0 CCADLP Cc1nc(N(C)C)nc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[nH+]1 ZINC000562535982 291157603 /nfs/dbraw/zinc/15/76/03/291157603.db2.gz RJQUKNIDRMSSLO-YOGCLGLASA-N 2 2 276.388 0.705 20 0 CCADLP Cc1nc(N(C)C)nc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[nH+]1 ZINC000562535982 291157604 /nfs/dbraw/zinc/15/76/04/291157604.db2.gz RJQUKNIDRMSSLO-YOGCLGLASA-N 2 2 276.388 0.705 20 0 CCADLP Cc1cccnc1CCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000568738592 358699488 /nfs/dbraw/zinc/69/94/88/358699488.db2.gz AHPVINBRRFWWGE-ZDUSSCGKSA-N 2 2 291.399 0.217 20 0 CCADLP Cc1cccnc1CCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000568738592 358699495 /nfs/dbraw/zinc/69/94/95/358699495.db2.gz AHPVINBRRFWWGE-ZDUSSCGKSA-N 2 2 291.399 0.217 20 0 CCADLP [NH3+]C[C@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)CCCO1 ZINC000569339058 358754044 /nfs/dbraw/zinc/75/40/44/358754044.db2.gz LOXYJJCNVPLWOV-LBPRGKRZSA-N 2 2 274.324 0.524 20 0 CCADLP C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000569137201 358738659 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C[C@H](C[S@@](C)=O)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000594500132 360323739 /nfs/dbraw/zinc/32/37/39/360323739.db2.gz LJBGTSDAZVGYKY-BBEGDGIKSA-N 2 2 288.457 0.986 20 0 CCADLP Cc1nc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c(C)c(C)[nH+]1 ZINC000594702754 360362521 /nfs/dbraw/zinc/36/25/21/360362521.db2.gz WRBZWHIXLPSFAW-NWDGAFQWSA-N 2 2 275.356 0.150 20 0 CCADLP C[C@@H]([NH3+])C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000163868446 296015062 /nfs/dbraw/zinc/01/50/62/296015062.db2.gz JCZUJNOJXNDPHM-TZMCWYRMSA-N 2 2 277.368 0.523 20 0 CCADLP c1cc2n(n1)C[C@@H](C[NH2+]CCC[NH+]1CCOCC1)CN2 ZINC000595139801 360442874 /nfs/dbraw/zinc/44/28/74/360442874.db2.gz WMFHOTNGMDVUJZ-ZDUSSCGKSA-N 2 2 279.388 0.237 20 0 CCADLP CC[N@@H+]1CCC[C@@H]([NH2+]C[C@H]2CNc3ccnn3C2)C1 ZINC000595146431 360443771 /nfs/dbraw/zinc/44/37/71/360443771.db2.gz FCCRRQSTFYTNHK-QWHCGFSZSA-N 2 2 263.389 0.999 20 0 CCADLP CC[N@H+]1CCC[C@@H]([NH2+]C[C@H]2CNc3ccnn3C2)C1 ZINC000595146431 360443776 /nfs/dbraw/zinc/44/37/76/360443776.db2.gz FCCRRQSTFYTNHK-QWHCGFSZSA-N 2 2 263.389 0.999 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000595148519 360445422 /nfs/dbraw/zinc/44/54/22/360445422.db2.gz YBXLUXPXSVIQTD-KBPBESRZSA-N 2 2 293.415 0.625 20 0 CCADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000595148519 360445428 /nfs/dbraw/zinc/44/54/28/360445428.db2.gz YBXLUXPXSVIQTD-KBPBESRZSA-N 2 2 293.415 0.625 20 0 CCADLP CN(C)[C@H](C(=O)N1CC[C@@H](C[NH+](C)C)C1)c1c[nH+]cn1C ZINC000684835287 545746946 /nfs/dbraw/zinc/74/69/46/545746946.db2.gz WIQPLWQIAJZXTI-JSGCOSHPSA-N 2 2 293.415 0.433 20 0 CCADLP CCOC(=O)[C@]1(C(C)C)CC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000595890964 360692654 /nfs/dbraw/zinc/69/26/54/360692654.db2.gz GUTIWADBUPKLNM-DZGCQCFKSA-N 2 2 284.400 0.886 20 0 CCADLP CCOC(=O)[C@]1(C(C)C)CC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000595890964 360692657 /nfs/dbraw/zinc/69/26/57/360692657.db2.gz GUTIWADBUPKLNM-DZGCQCFKSA-N 2 2 284.400 0.886 20 0 CCADLP COC(=O)CC[N@H+](C[C@@H]1CCCO1)C[C@@H]1C[NH2+]CCO1 ZINC000595893668 360693714 /nfs/dbraw/zinc/69/37/14/360693714.db2.gz TYVCVNKXBQYXSR-STQMWFEESA-N 2 2 286.372 0.019 20 0 CCADLP COC(=O)CC[N@@H+](C[C@@H]1CCCO1)C[C@@H]1C[NH2+]CCO1 ZINC000595893668 360693717 /nfs/dbraw/zinc/69/37/17/360693717.db2.gz TYVCVNKXBQYXSR-STQMWFEESA-N 2 2 286.372 0.019 20 0 CCADLP O=C(N[C@H]1CCC[NH2+]C1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000178400807 189113207 /nfs/dbraw/zinc/11/32/07/189113207.db2.gz FXCVQYBEDNGQOJ-LBPRGKRZSA-N 2 2 271.324 0.749 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000595932041 360710098 /nfs/dbraw/zinc/71/00/98/360710098.db2.gz MIPAGDDHWXUWQA-NWDGAFQWSA-N 2 2 285.388 0.080 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000595932041 360710102 /nfs/dbraw/zinc/71/01/02/360710102.db2.gz MIPAGDDHWXUWQA-NWDGAFQWSA-N 2 2 285.388 0.080 20 0 CCADLP COC(=O)Cc1cc[nH+]c(NC[C@](C)(O)C[NH+](C)C)c1 ZINC000596173067 360822617 /nfs/dbraw/zinc/82/26/17/360822617.db2.gz PWDDDCAQYPFNFU-AWEZNQCLSA-N 2 2 281.356 0.522 20 0 CCADLP C[C@@H]1CCC[C@H]1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000563591295 291239467 /nfs/dbraw/zinc/23/94/67/291239467.db2.gz PLJICMWGMSJIDC-AGIUHOORSA-N 2 2 268.405 0.707 20 0 CCADLP C[C@@H]1CCC[C@H]1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000563591295 291239469 /nfs/dbraw/zinc/23/94/69/291239469.db2.gz PLJICMWGMSJIDC-AGIUHOORSA-N 2 2 268.405 0.707 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)NC[C@H]1CCCC[N@H+]1CCO ZINC000493555722 238200398 /nfs/dbraw/zinc/20/03/98/238200398.db2.gz MMJLVQLOCPNTQT-DSYXLKISSA-N 2 2 278.356 0.386 20 0 CCADLP C[C@@H]1CCC[C@@H]1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000563591298 291239626 /nfs/dbraw/zinc/23/96/26/291239626.db2.gz PLJICMWGMSJIDC-UPJWGTAASA-N 2 2 268.405 0.707 20 0 CCADLP C[C@@H]1CCC[C@@H]1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000563591298 291239627 /nfs/dbraw/zinc/23/96/27/291239627.db2.gz PLJICMWGMSJIDC-UPJWGTAASA-N 2 2 268.405 0.707 20 0 CCADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2cn[nH]c2)CC1 ZINC000596691554 360941878 /nfs/dbraw/zinc/94/18/78/360941878.db2.gz GYYBMYAIYQWDRE-UHFFFAOYSA-N 2 2 279.388 0.442 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)S(C)(=O)=O ZINC000563691369 291246686 /nfs/dbraw/zinc/24/66/86/291246686.db2.gz DCUADLYVHGYBKS-XQHKEYJVSA-N 2 2 274.430 0.882 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)S(C)(=O)=O ZINC000563691369 291246688 /nfs/dbraw/zinc/24/66/88/291246688.db2.gz DCUADLYVHGYBKS-XQHKEYJVSA-N 2 2 274.430 0.882 20 0 CCADLP COC(=O)[C@H]1CN(Cc2c[nH+]c3n2CCC3)CC[N@H+](C)C1 ZINC000597151647 361016240 /nfs/dbraw/zinc/01/62/40/361016240.db2.gz RDQGQDULEAVECT-GFCCVEGCSA-N 2 2 292.383 0.366 20 0 CCADLP COC(=O)[C@H]1CN(Cc2c[nH+]c3n2CCC3)CC[N@@H+](C)C1 ZINC000597151647 361016245 /nfs/dbraw/zinc/01/62/45/361016245.db2.gz RDQGQDULEAVECT-GFCCVEGCSA-N 2 2 292.383 0.366 20 0 CCADLP C[C@@H](C(=O)N1CCN(c2[nH+]ccn2C)CC1)[NH+]1CC(C)C1 ZINC000563718823 291248820 /nfs/dbraw/zinc/24/88/20/291248820.db2.gz VRNZJLUTRSXIFB-ZDUSSCGKSA-N 2 2 291.399 0.409 20 0 CCADLP COCC[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000563758526 291250091 /nfs/dbraw/zinc/25/00/91/291250091.db2.gz CPRGNYZDYYBXDE-UHFFFAOYSA-N 2 2 266.345 0.064 20 0 CCADLP COCC[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000563758526 291250093 /nfs/dbraw/zinc/25/00/93/291250093.db2.gz CPRGNYZDYYBXDE-UHFFFAOYSA-N 2 2 266.345 0.064 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000563806359 291251213 /nfs/dbraw/zinc/25/12/13/291251213.db2.gz SBFMGTLMWNQWMC-HZPDHXFCSA-N 2 2 295.402 0.565 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000563806359 291251214 /nfs/dbraw/zinc/25/12/14/291251214.db2.gz SBFMGTLMWNQWMC-HZPDHXFCSA-N 2 2 295.402 0.565 20 0 CCADLP [NH3+][C@@H](CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)C1CC1 ZINC000563898365 291258038 /nfs/dbraw/zinc/25/80/38/291258038.db2.gz GATKRDGDWLJYQA-NSHDSACASA-N 2 2 287.323 0.126 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CC=CCC2)[C@H](C[NH3+])C1 ZINC000563945465 291259884 /nfs/dbraw/zinc/25/98/84/291259884.db2.gz MRHYUCHKAXPLKU-CHWSQXEVSA-N 2 2 266.389 0.627 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CC=CCC2)[C@H](C[NH3+])C1 ZINC000563945465 291259886 /nfs/dbraw/zinc/25/98/86/291259886.db2.gz MRHYUCHKAXPLKU-CHWSQXEVSA-N 2 2 266.389 0.627 20 0 CCADLP Cc1cc(NC[C@](C)(O)C[NH+]2CCOCC2)nc[nH+]1 ZINC000301460401 201017025 /nfs/dbraw/zinc/01/70/25/201017025.db2.gz ZXWIQETURGYXIQ-ZDUSSCGKSA-N 2 2 266.345 0.280 20 0 CCADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)Nc1ccccn1 ZINC000631827362 370692696 /nfs/dbraw/zinc/69/26/96/370692696.db2.gz MVDPQAUIUMDZHK-LLVKDONJSA-N 2 2 262.357 0.998 20 0 CCADLP CCN(CC(F)(F)F)C(=O)C[N@H+](C)CCC[NH3+] ZINC000631821703 370687190 /nfs/dbraw/zinc/68/71/90/370687190.db2.gz GLXIQPYWRXCXPZ-UHFFFAOYSA-N 2 2 255.284 0.678 20 0 CCADLP CCN(CC(F)(F)F)C(=O)C[N@@H+](C)CCC[NH3+] ZINC000631821703 370687193 /nfs/dbraw/zinc/68/71/93/370687193.db2.gz GLXIQPYWRXCXPZ-UHFFFAOYSA-N 2 2 255.284 0.678 20 0 CCADLP CCCn1nccc1NC(=O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000631822755 370688381 /nfs/dbraw/zinc/68/83/81/370688381.db2.gz NMNUZBALDUZPEL-CQSZACIVSA-N 2 2 279.388 0.949 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000564139735 291267540 /nfs/dbraw/zinc/26/75/40/291267540.db2.gz DGWDKYGEJBFPSA-UONOGXRCSA-N 2 2 292.383 0.643 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC(C)(C)CC[C@H]1CO ZINC000621381110 366758238 /nfs/dbraw/zinc/75/82/38/366758238.db2.gz LLEYUKIHMXGSAX-STQMWFEESA-N 2 2 258.406 0.782 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC(C)(C)CC[C@H]1CO ZINC000621381110 366758245 /nfs/dbraw/zinc/75/82/45/366758245.db2.gz LLEYUKIHMXGSAX-STQMWFEESA-N 2 2 258.406 0.782 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC(C)(C)CC[C@H]1CO ZINC000621381110 366758250 /nfs/dbraw/zinc/75/82/50/366758250.db2.gz LLEYUKIHMXGSAX-STQMWFEESA-N 2 2 258.406 0.782 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC(C)(C)CC[C@H]1CO ZINC000621381110 366758257 /nfs/dbraw/zinc/75/82/57/366758257.db2.gz LLEYUKIHMXGSAX-STQMWFEESA-N 2 2 258.406 0.782 20 0 CCADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000564360596 291277162 /nfs/dbraw/zinc/27/71/62/291277162.db2.gz CIXKZHCLUXGCGF-LBPRGKRZSA-N 2 2 262.357 0.658 20 0 CCADLP CN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000564360596 291277165 /nfs/dbraw/zinc/27/71/65/291277165.db2.gz CIXKZHCLUXGCGF-LBPRGKRZSA-N 2 2 262.357 0.658 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000599472752 361713689 /nfs/dbraw/zinc/71/36/89/361713689.db2.gz OTYURXHZIOUDFJ-UHFFFAOYSA-N 2 2 270.373 0.736 20 0 CCADLP COCC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000564665802 291292594 /nfs/dbraw/zinc/29/25/94/291292594.db2.gz MNWTYUCHSHJWEA-ZDUSSCGKSA-N 2 2 269.389 0.119 20 0 CCADLP COCC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000564665802 291292597 /nfs/dbraw/zinc/29/25/97/291292597.db2.gz MNWTYUCHSHJWEA-ZDUSSCGKSA-N 2 2 269.389 0.119 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C2([NH+](C)C)CC2)C1 ZINC000613006414 364083875 /nfs/dbraw/zinc/08/38/75/364083875.db2.gz UHOMVTMAVLYAHO-LLVKDONJSA-N 2 2 262.357 0.830 20 0 CCADLP CN(C)S(=O)(=O)CCC[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834121 370699512 /nfs/dbraw/zinc/69/95/12/370699512.db2.gz PGIQDNYOJHCKHW-LBPRGKRZSA-N 2 2 277.434 0.471 20 0 CCADLP CN(C)S(=O)(=O)CCC[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834121 370699514 /nfs/dbraw/zinc/69/95/14/370699514.db2.gz PGIQDNYOJHCKHW-LBPRGKRZSA-N 2 2 277.434 0.471 20 0 CCADLP C[C@@H]1C[N@@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)C[C@H]1C[NH3+] ZINC000631838552 370703471 /nfs/dbraw/zinc/70/34/71/370703471.db2.gz QHHDMZUIPTXTJY-NQBHXWOUSA-N 2 2 277.372 0.052 20 0 CCADLP C[C@@H]1C[N@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)C[C@H]1C[NH3+] ZINC000631838552 370703474 /nfs/dbraw/zinc/70/34/74/370703474.db2.gz QHHDMZUIPTXTJY-NQBHXWOUSA-N 2 2 277.372 0.052 20 0 CCADLP Cc1csc(=O)n1CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000613210157 364161928 /nfs/dbraw/zinc/16/19/28/364161928.db2.gz LAHRUCWGXLCVBK-QWRGUYRKSA-N 2 2 253.371 0.369 20 0 CCADLP CCCCNC(=O)[C@@H](C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631863717 370723413 /nfs/dbraw/zinc/72/34/13/370723413.db2.gz DHJFORWZINZLIO-GFCCVEGCSA-N 2 2 271.405 0.338 20 0 CCADLP OCC[NH2+]C1CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC000631864230 370724510 /nfs/dbraw/zinc/72/45/10/370724510.db2.gz KMENBJVLHYPJMT-AWEZNQCLSA-N 2 2 272.389 0.228 20 0 CCADLP C[C@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC([NH2+]CCO)CC1 ZINC000631866802 370726026 /nfs/dbraw/zinc/72/60/26/370726026.db2.gz ZFAVPFNXWBKUDR-KBPBESRZSA-N 2 2 297.443 0.822 20 0 CCADLP C(COC1CCOCC1)[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631867574 370726917 /nfs/dbraw/zinc/72/69/17/370726917.db2.gz XBQCBMOBINOVFE-OCCSQVGLSA-N 2 2 254.374 0.914 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCC(=O)Nc1ccccn1 ZINC000564825462 291303476 /nfs/dbraw/zinc/30/34/76/291303476.db2.gz IYWUBGPZHUINQU-CHWSQXEVSA-N 2 2 292.383 0.767 20 0 CCADLP CC1CCN(C(=O)C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000631870068 370729553 /nfs/dbraw/zinc/72/95/53/370729553.db2.gz DLQMSQOJDKUDEA-HIFRSBDPSA-N 2 2 265.401 0.977 20 0 CCADLP CC(C)[C@H](C)NC(=O)C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631869818 370729618 /nfs/dbraw/zinc/72/96/18/370729618.db2.gz VZFJPYJVHNKADQ-SCRDCRAPSA-N 2 2 253.390 0.879 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000613665371 364331645 /nfs/dbraw/zinc/33/16/45/364331645.db2.gz LHZKPDFSKQUROW-GHMZBOCLSA-N 2 2 250.346 0.941 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)C1 ZINC000614094819 364500899 /nfs/dbraw/zinc/50/08/99/364500899.db2.gz QCEDSXIPEAVUNZ-MCIONIFRSA-N 2 2 299.390 0.352 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)C1 ZINC000614094819 364500901 /nfs/dbraw/zinc/50/09/01/364500901.db2.gz QCEDSXIPEAVUNZ-MCIONIFRSA-N 2 2 299.390 0.352 20 0 CCADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621779961 366864397 /nfs/dbraw/zinc/86/43/97/366864397.db2.gz LKIITQGEYGHZKN-OBJOEFQTSA-N 2 2 253.390 0.960 20 0 CCADLP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621779961 366864404 /nfs/dbraw/zinc/86/44/04/366864404.db2.gz LKIITQGEYGHZKN-OBJOEFQTSA-N 2 2 253.390 0.960 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000614515050 364644988 /nfs/dbraw/zinc/64/49/88/364644988.db2.gz SFZLLFJNQOMHOQ-TZMCWYRMSA-N 2 2 291.399 0.094 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000614515050 364644996 /nfs/dbraw/zinc/64/49/96/364644996.db2.gz SFZLLFJNQOMHOQ-TZMCWYRMSA-N 2 2 291.399 0.094 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000614515050 364645004 /nfs/dbraw/zinc/64/50/04/364645004.db2.gz SFZLLFJNQOMHOQ-TZMCWYRMSA-N 2 2 291.399 0.094 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000614515050 364645009 /nfs/dbraw/zinc/64/50/09/364645009.db2.gz SFZLLFJNQOMHOQ-TZMCWYRMSA-N 2 2 291.399 0.094 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000564934936 291319545 /nfs/dbraw/zinc/31/95/45/291319545.db2.gz ODXVYNRZUSQMDE-UISBYWKRSA-N 2 2 280.397 0.742 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000564934936 291319547 /nfs/dbraw/zinc/31/95/47/291319547.db2.gz ODXVYNRZUSQMDE-UISBYWKRSA-N 2 2 280.397 0.742 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000614964889 364797618 /nfs/dbraw/zinc/79/76/18/364797618.db2.gz DZSQEUHFTBOELD-AWEZNQCLSA-N 2 2 295.427 0.651 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000614964889 364797624 /nfs/dbraw/zinc/79/76/24/364797624.db2.gz DZSQEUHFTBOELD-AWEZNQCLSA-N 2 2 295.427 0.651 20 0 CCADLP [NH3+]C[C@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CCO1 ZINC000564950336 291324168 /nfs/dbraw/zinc/32/41/68/291324168.db2.gz PBIIDLBBCDKFTF-LBPRGKRZSA-N 2 2 287.323 0.067 20 0 CCADLP [NH3+]C1(c2noc(C[NH2+]C[C@H]3CCCO3)n2)CCC1 ZINC000564959711 291327123 /nfs/dbraw/zinc/32/71/23/291327123.db2.gz SFQCNGDRRMAEOD-SECBINFHSA-N 2 2 252.318 0.676 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)C[NH+](C)C ZINC000615174578 364867505 /nfs/dbraw/zinc/86/75/05/364867505.db2.gz CEWAEFKQGKZJCL-MNOVXSKESA-N 2 2 264.373 0.829 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)C[NH+](C)C ZINC000615174578 364867507 /nfs/dbraw/zinc/86/75/07/364867507.db2.gz CEWAEFKQGKZJCL-MNOVXSKESA-N 2 2 264.373 0.829 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCCCCO)C[C@@H](C)O1 ZINC000564977628 291329491 /nfs/dbraw/zinc/32/94/91/291329491.db2.gz XWNPBXSRSICKBM-MCIONIFRSA-N 2 2 274.405 0.209 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000615303983 364913720 /nfs/dbraw/zinc/91/37/20/364913720.db2.gz JVQNMDJNLZPEJG-JQWIXIFHSA-N 2 2 250.346 0.812 20 0 CCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@H]1CCC[NH2+]1 ZINC000335605141 212317460 /nfs/dbraw/zinc/31/74/60/212317460.db2.gz KHPBHFXYXXVZIG-GFCCVEGCSA-N 2 2 262.357 0.930 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564986592 291331171 /nfs/dbraw/zinc/33/11/71/291331171.db2.gz XCSVDOAFIKVJCC-CQSZACIVSA-N 2 2 269.389 0.215 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564986592 291331173 /nfs/dbraw/zinc/33/11/73/291331173.db2.gz XCSVDOAFIKVJCC-CQSZACIVSA-N 2 2 269.389 0.215 20 0 CCADLP CC[C@H](C(=O)N1CC(C[NH+](C)C)C1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000615507072 364988732 /nfs/dbraw/zinc/98/87/32/364988732.db2.gz XLCNLWJECWWKTL-LSDHHAIUSA-N 2 2 297.443 0.896 20 0 CCADLP CC[C@H](C(=O)N1CC(C[NH+](C)C)C1)[N@H+]1CCO[C@@H](CC)C1 ZINC000615507072 364988734 /nfs/dbraw/zinc/98/87/34/364988734.db2.gz XLCNLWJECWWKTL-LSDHHAIUSA-N 2 2 297.443 0.896 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](OCc2ccncc2)C1 ZINC000565165154 291350914 /nfs/dbraw/zinc/35/09/14/291350914.db2.gz QVOFXCZXRIELTB-CVEARBPZSA-N 2 2 293.411 0.985 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](OCc2ccncc2)C1 ZINC000565165154 291350915 /nfs/dbraw/zinc/35/09/15/291350915.db2.gz QVOFXCZXRIELTB-CVEARBPZSA-N 2 2 293.411 0.985 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000565165154 291350916 /nfs/dbraw/zinc/35/09/16/291350916.db2.gz QVOFXCZXRIELTB-CVEARBPZSA-N 2 2 293.411 0.985 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000565165154 291350917 /nfs/dbraw/zinc/35/09/17/291350917.db2.gz QVOFXCZXRIELTB-CVEARBPZSA-N 2 2 293.411 0.985 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH+](C)C ZINC000616489339 365340453 /nfs/dbraw/zinc/34/04/53/365340453.db2.gz XKLRNURHQLURSL-HBNTYKKESA-N 2 2 250.346 0.590 20 0 CCADLP C[NH+](C)CCCC(C)(C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000622091323 367019858 /nfs/dbraw/zinc/01/98/58/367019858.db2.gz JHCAHJVEBXEBCA-LBPRGKRZSA-N 2 2 271.405 0.554 20 0 CCADLP C[NH+](C)CCCC(C)(C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000622091323 367019865 /nfs/dbraw/zinc/01/98/65/367019865.db2.gz JHCAHJVEBXEBCA-LBPRGKRZSA-N 2 2 271.405 0.554 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000622369772 367136795 /nfs/dbraw/zinc/13/67/95/367136795.db2.gz AKWVMXIICNBCQQ-CYBMUJFWSA-N 2 2 281.404 0.479 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000622369772 367136801 /nfs/dbraw/zinc/13/68/01/367136801.db2.gz AKWVMXIICNBCQQ-CYBMUJFWSA-N 2 2 281.404 0.479 20 0 CCADLP [NH3+][C@@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1cscn1 ZINC000566214721 291377774 /nfs/dbraw/zinc/37/77/74/291377774.db2.gz NPBNJKZTILGZPL-JFGNBEQYSA-N 2 2 280.397 0.601 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCCc1cn(C)c[nH+]1 ZINC000622685921 367296487 /nfs/dbraw/zinc/29/64/87/367296487.db2.gz QESRINRFRSUYFQ-GFCCVEGCSA-N 2 2 280.372 0.047 20 0 CCADLP CC[C@H](C)[C@H](O)C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000566234608 291381221 /nfs/dbraw/zinc/38/12/21/291381221.db2.gz RSPZFUWGDXWUEZ-SBJFKYEJSA-N 2 2 288.432 0.453 20 0 CCADLP CC[C@H](C)[C@H](O)C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000566234608 291381224 /nfs/dbraw/zinc/38/12/24/291381224.db2.gz RSPZFUWGDXWUEZ-SBJFKYEJSA-N 2 2 288.432 0.453 20 0 CCADLP CC[N@H+](C)CC[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000566229090 291379916 /nfs/dbraw/zinc/37/99/16/291379916.db2.gz HIRJZEBDVQLPAD-UHFFFAOYSA-N 2 2 268.361 0.049 20 0 CCADLP CC[N@@H+](C)CC[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000566229090 291379917 /nfs/dbraw/zinc/37/99/17/291379917.db2.gz HIRJZEBDVQLPAD-UHFFFAOYSA-N 2 2 268.361 0.049 20 0 CCADLP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623178995 367467362 /nfs/dbraw/zinc/46/73/62/367467362.db2.gz QFVGPWVKGGYOQL-MNOVXSKESA-N 2 2 262.357 0.702 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623180105 367467626 /nfs/dbraw/zinc/46/76/26/367467626.db2.gz RTHXDEUIDREPJW-DCAQKATOSA-N 2 2 250.346 0.688 20 0 CCADLP CCO[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C[NH3+] ZINC000623180000 367467776 /nfs/dbraw/zinc/46/77/76/367467776.db2.gz NOYWBYYCTIAHIL-YNEHKIRRSA-N 2 2 292.383 0.268 20 0 CCADLP O=C(NCC12CC(C1)C[NH2+]2)[C@H]1CCn2cc[nH+]c2C1 ZINC000623180409 367468945 /nfs/dbraw/zinc/46/89/45/367468945.db2.gz DIWKJPJPOYAIQX-CVZZAPKMSA-N 2 2 260.341 0.314 20 0 CCADLP C[C@H]1C[C@@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)CC[N@@H+]1C ZINC000623259732 367496606 /nfs/dbraw/zinc/49/66/06/367496606.db2.gz JGKHSRYBCAOQSA-SRVKXCTJSA-N 2 2 262.357 0.654 20 0 CCADLP C[C@H]1C[C@@H](C(=O)N[C@H]2Cc3c[nH+]cn3C2)CC[N@H+]1C ZINC000623259732 367496611 /nfs/dbraw/zinc/49/66/11/367496611.db2.gz JGKHSRYBCAOQSA-SRVKXCTJSA-N 2 2 262.357 0.654 20 0 CCADLP C[NH+](C)Cc1ccc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)cn1 ZINC000623259173 367496680 /nfs/dbraw/zinc/49/66/80/367496680.db2.gz TVRHJSMHKIXCIK-ZDUSSCGKSA-N 2 2 285.351 0.694 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCCC[NH+](C)C)CC2 ZINC000623370442 367548975 /nfs/dbraw/zinc/54/89/75/367548975.db2.gz KFJXTPMEGFEGNB-LBPRGKRZSA-N 2 2 264.373 0.822 20 0 CCADLP C[C@@H](C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)[NH+]1CCN(C)CC1 ZINC000566254289 291385385 /nfs/dbraw/zinc/38/53/85/291385385.db2.gz YHKWGXAEXZBSRJ-HOCLYGCPSA-N 2 2 294.443 0.224 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623270484 367506363 /nfs/dbraw/zinc/50/63/63/367506363.db2.gz HKLDRIQPLQOZLZ-AAEUAGOBSA-N 2 2 262.357 0.798 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623270484 367506365 /nfs/dbraw/zinc/50/63/65/367506365.db2.gz HKLDRIQPLQOZLZ-AAEUAGOBSA-N 2 2 262.357 0.798 20 0 CCADLP Cc1noc(C)c1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000623617730 367603954 /nfs/dbraw/zinc/60/39/54/367603954.db2.gz MGQOGNOFEPJKCB-ZDUSSCGKSA-N 2 2 280.372 0.721 20 0 CCADLP Cc1noc(C)c1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000623617730 367603959 /nfs/dbraw/zinc/60/39/59/367603959.db2.gz MGQOGNOFEPJKCB-ZDUSSCGKSA-N 2 2 280.372 0.721 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2COCCN2C)C[N@@H+]1C1CC1 ZINC000623711607 367626603 /nfs/dbraw/zinc/62/66/03/367626603.db2.gz KCPSARWFOJJVHE-YRGRVCCFSA-N 2 2 253.390 0.532 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2COCCN2C)C[N@H+]1C1CC1 ZINC000623711607 367626607 /nfs/dbraw/zinc/62/66/07/367626607.db2.gz KCPSARWFOJJVHE-YRGRVCCFSA-N 2 2 253.390 0.532 20 0 CCADLP C[C@H](CNC(=O)NC[C@H]1COCC[N@@H+]1C)[NH+](C)C1CC1 ZINC000623725792 367636457 /nfs/dbraw/zinc/63/64/57/367636457.db2.gz KNJVJJBQFVURKE-YPMHNXCESA-N 2 2 284.404 0.099 20 0 CCADLP C[C@H](CNC(=O)NC[C@H]1COCC[N@H+]1C)[NH+](C)C1CC1 ZINC000623725792 367636463 /nfs/dbraw/zinc/63/64/63/367636463.db2.gz KNJVJJBQFVURKE-YPMHNXCESA-N 2 2 284.404 0.099 20 0 CCADLP C[C@H](CNC(=O)NC[C@H]1COCC[NH+]1C)[N@H+](C)C1CC1 ZINC000623725792 367636466 /nfs/dbraw/zinc/63/64/66/367636466.db2.gz KNJVJJBQFVURKE-YPMHNXCESA-N 2 2 284.404 0.099 20 0 CCADLP C[C@H](CNC(=O)NC[C@H]1COCC[NH+]1C)[N@@H+](C)C1CC1 ZINC000623725792 367636469 /nfs/dbraw/zinc/63/64/69/367636469.db2.gz KNJVJJBQFVURKE-YPMHNXCESA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NC[C@H]2COCC[NH+]2C)CC[N@@H+]1C ZINC000623727379 367637757 /nfs/dbraw/zinc/63/77/57/367637757.db2.gz WSPONWRMJKQZRS-UPJWGTAASA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NC[C@H]2COCC[NH+]2C)CC[N@H+]1C ZINC000623727379 367637766 /nfs/dbraw/zinc/63/77/66/367637766.db2.gz WSPONWRMJKQZRS-UPJWGTAASA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NC[C@H]2COCC[N@@H+]2C)CC[NH+]1C ZINC000623727379 367637772 /nfs/dbraw/zinc/63/77/72/367637772.db2.gz WSPONWRMJKQZRS-UPJWGTAASA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NC[C@H]2COCC[N@H+]2C)CC[NH+]1C ZINC000623727379 367637780 /nfs/dbraw/zinc/63/77/80/367637780.db2.gz WSPONWRMJKQZRS-UPJWGTAASA-N 2 2 284.404 0.099 20 0 CCADLP O[C@@H]1CC[N@H+](CC[NH2+]Cc2cccc3n[nH]cc32)C1 ZINC000623759699 367648031 /nfs/dbraw/zinc/64/80/31/367648031.db2.gz XAOKZBZEKLELPJ-GFCCVEGCSA-N 2 2 260.341 0.719 20 0 CCADLP O[C@@H]1CC[N@@H+](CC[NH2+]Cc2cccc3n[nH]cc32)C1 ZINC000623759699 367648037 /nfs/dbraw/zinc/64/80/37/367648037.db2.gz XAOKZBZEKLELPJ-GFCCVEGCSA-N 2 2 260.341 0.719 20 0 CCADLP O[C@H]1CCN(CC[NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000623837809 367674605 /nfs/dbraw/zinc/67/46/05/367674605.db2.gz VSDZJOMEBYCIFZ-ZDUSSCGKSA-N 2 2 260.341 0.491 20 0 CCADLP [NH3+]CC(F)(F)CC(=O)NCCCC[NH+]1CCOCC1 ZINC000566407584 291400403 /nfs/dbraw/zinc/40/04/03/291400403.db2.gz ONJHJYNBFOGZQN-UHFFFAOYSA-N 2 2 279.331 0.199 20 0 CCADLP O=C([C@H]1CCC[NH2+]1)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000182106393 296107526 /nfs/dbraw/zinc/10/75/26/296107526.db2.gz QMBUSCBYVHGWSE-CYBMUJFWSA-N 2 2 294.424 0.929 20 0 CCADLP O=C([C@H]1CCC[NH2+]1)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000182106393 296107528 /nfs/dbraw/zinc/10/75/28/296107528.db2.gz QMBUSCBYVHGWSE-CYBMUJFWSA-N 2 2 294.424 0.929 20 0 CCADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)C1CC[NH+](C)CC1 ZINC000624333042 367836162 /nfs/dbraw/zinc/83/61/62/367836162.db2.gz GZZVXXJWNALWAE-JSGCOSHPSA-N 3 2 255.406 0.373 20 0 CCADLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)C1CC[NH+](C)CC1 ZINC000624333042 367836168 /nfs/dbraw/zinc/83/61/68/367836168.db2.gz GZZVXXJWNALWAE-JSGCOSHPSA-N 3 2 255.406 0.373 20 0 CCADLP CCc1cc(NCCC[N@@H+]2CCC[C@H]2C(N)=O)nc[nH+]1 ZINC000624510088 367909626 /nfs/dbraw/zinc/90/96/26/367909626.db2.gz MHSWWXFRRBPUBG-LBPRGKRZSA-N 2 2 277.372 0.213 20 0 CCADLP CCc1cc(NCCC[N@H+]2CCC[C@H]2C(N)=O)nc[nH+]1 ZINC000624510088 367909633 /nfs/dbraw/zinc/90/96/33/367909633.db2.gz MHSWWXFRRBPUBG-LBPRGKRZSA-N 2 2 277.372 0.213 20 0 CCADLP Cc1nc(NCC[N@@H+]2CC[C@H](O)C2)c(C)c(C)[nH+]1 ZINC000624774042 367988101 /nfs/dbraw/zinc/98/81/01/367988101.db2.gz MWXNDPTWATZHGJ-LBPRGKRZSA-N 2 2 250.346 0.302 20 0 CCADLP Cc1nc(NCC[N@H+]2CC[C@H](O)C2)c(C)c(C)[nH+]1 ZINC000624774042 367988107 /nfs/dbraw/zinc/98/81/07/367988107.db2.gz MWXNDPTWATZHGJ-LBPRGKRZSA-N 2 2 250.346 0.302 20 0 CCADLP O[C@H]1CC[N@H+](CCNc2cc(NC3CC3)[nH+]cn2)C1 ZINC000624775903 367989854 /nfs/dbraw/zinc/98/98/54/367989854.db2.gz IBBJMOZZWCOGDY-NSHDSACASA-N 2 2 263.345 0.529 20 0 CCADLP O[C@H]1CC[N@@H+](CCNc2cc(NC3CC3)[nH+]cn2)C1 ZINC000624775903 367989865 /nfs/dbraw/zinc/98/98/65/367989865.db2.gz IBBJMOZZWCOGDY-NSHDSACASA-N 2 2 263.345 0.529 20 0 CCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NC[C@H]1COCC[NH+]1C ZINC000624726821 367967685 /nfs/dbraw/zinc/96/76/85/367967685.db2.gz OLQIXLIGBCXRNO-OLZOCXBDSA-N 2 2 284.404 0.053 20 0 CCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)NC[C@H]1COCC[NH+]1C ZINC000624726821 367967686 /nfs/dbraw/zinc/96/76/86/367967686.db2.gz OLQIXLIGBCXRNO-OLZOCXBDSA-N 2 2 284.404 0.053 20 0 CCADLP CN(C[C@H]1CCC[NH+]1C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624726821 367967688 /nfs/dbraw/zinc/96/76/88/367967688.db2.gz OLQIXLIGBCXRNO-OLZOCXBDSA-N 2 2 284.404 0.053 20 0 CCADLP CN(C[C@H]1CCC[NH+]1C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000624726821 367967690 /nfs/dbraw/zinc/96/76/90/367967690.db2.gz OLQIXLIGBCXRNO-OLZOCXBDSA-N 2 2 284.404 0.053 20 0 CCADLP CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@@H]2COCC[NH+]2C)C[C@@H]1C ZINC000624734424 367974617 /nfs/dbraw/zinc/97/46/17/367974617.db2.gz RYCFOOPAXDVTFP-MELADBBJSA-N 2 2 298.431 0.441 20 0 CCADLP CC[N@H+]1C[C@H](C)N(C(=O)NC[C@@H]2COCC[NH+]2C)C[C@@H]1C ZINC000624734424 367974620 /nfs/dbraw/zinc/97/46/20/367974620.db2.gz RYCFOOPAXDVTFP-MELADBBJSA-N 2 2 298.431 0.441 20 0 CCADLP CC[NH+]1C[C@H](C)N(C(=O)NC[C@@H]2COCC[N@@H+]2C)C[C@@H]1C ZINC000624734424 367974623 /nfs/dbraw/zinc/97/46/23/367974623.db2.gz RYCFOOPAXDVTFP-MELADBBJSA-N 2 2 298.431 0.441 20 0 CCADLP CC[NH+]1C[C@H](C)N(C(=O)NC[C@@H]2COCC[N@H+]2C)C[C@@H]1C ZINC000624734424 367974629 /nfs/dbraw/zinc/97/46/29/367974629.db2.gz RYCFOOPAXDVTFP-MELADBBJSA-N 2 2 298.431 0.441 20 0 CCADLP CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000624740579 367978028 /nfs/dbraw/zinc/97/80/28/367978028.db2.gz RYJHFXOLHPVAKQ-UONOGXRCSA-N 2 2 298.431 0.348 20 0 CCADLP CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000624740579 367978031 /nfs/dbraw/zinc/97/80/31/367978031.db2.gz RYJHFXOLHPVAKQ-UONOGXRCSA-N 2 2 298.431 0.348 20 0 CCADLP CC[NH+]1CCC[C@@H](CNC(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000624740579 367978034 /nfs/dbraw/zinc/97/80/34/367978034.db2.gz RYJHFXOLHPVAKQ-UONOGXRCSA-N 2 2 298.431 0.348 20 0 CCADLP CC[NH+]1CCC[C@@H](CNC(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000624740579 367978037 /nfs/dbraw/zinc/97/80/37/367978037.db2.gz RYJHFXOLHPVAKQ-UONOGXRCSA-N 2 2 298.431 0.348 20 0 CCADLP COC1CC(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000625520828 368231742 /nfs/dbraw/zinc/23/17/42/368231742.db2.gz YGROUCMYBVYJEQ-JVWICGRDSA-N 2 2 295.427 0.696 20 0 CCADLP COC1CC(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000625520828 368231743 /nfs/dbraw/zinc/23/17/43/368231743.db2.gz YGROUCMYBVYJEQ-JVWICGRDSA-N 2 2 295.427 0.696 20 0 CCADLP O=C1CC[C@H](C[NH+]2CCC([NH+]3CCOCC3)CC2)CCN1 ZINC000625544884 368238024 /nfs/dbraw/zinc/23/80/24/368238024.db2.gz FTEORWPILNURNT-AWEZNQCLSA-N 2 2 295.427 0.699 20 0 CCADLP C([C@H]1COCCO1)[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625544922 368238208 /nfs/dbraw/zinc/23/82/08/368238208.db2.gz HAWLFYOMGAGHMK-AWEZNQCLSA-N 2 2 270.373 0.198 20 0 CCADLP CCOCC[C@H](O)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625545973 368238965 /nfs/dbraw/zinc/23/89/65/368238965.db2.gz KEJMNCQITAMYEB-HNNXBMFYSA-N 2 2 286.416 0.571 20 0 CCADLP O[C@H](Cn1cccn1)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625554482 368245822 /nfs/dbraw/zinc/24/58/22/368245822.db2.gz WUDSTIYQEMXHOH-HNNXBMFYSA-N 2 2 294.399 0.041 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000625751762 368321687 /nfs/dbraw/zinc/32/16/87/368321687.db2.gz MELAFMBKJHGHOE-LLVKDONJSA-N 2 2 261.329 0.841 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CC2(C)COC2)CC1 ZINC000625787733 368330695 /nfs/dbraw/zinc/33/06/95/368330695.db2.gz FJQXERAVFHEAIR-CYBMUJFWSA-N 2 2 283.416 0.507 20 0 CCADLP C[NH2+]CCOCCNC(=O)Nc1cc(C)[nH+]cc1C ZINC000625874137 368354163 /nfs/dbraw/zinc/35/41/63/368354163.db2.gz SVHWEEDGUVERKP-UHFFFAOYSA-N 2 2 266.345 0.478 20 0 CCADLP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H]2COCC[N@H+]2C)c1 ZINC000625899258 368361812 /nfs/dbraw/zinc/36/18/12/368361812.db2.gz NWZHMMIOBVVTCB-CQSZACIVSA-N 2 2 292.383 0.906 20 0 CCADLP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H]2COCC[N@@H+]2C)c1 ZINC000625899258 368361815 /nfs/dbraw/zinc/36/18/15/368361815.db2.gz NWZHMMIOBVVTCB-CQSZACIVSA-N 2 2 292.383 0.906 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCO[C@@H](CCF)C2)CC1 ZINC000626004269 368392689 /nfs/dbraw/zinc/39/26/89/368392689.db2.gz CSGGJGNIWLPDIB-ZDUSSCGKSA-N 2 2 287.379 0.211 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCO[C@@H](CCF)C2)CC1 ZINC000626004269 368392693 /nfs/dbraw/zinc/39/26/93/368392693.db2.gz CSGGJGNIWLPDIB-ZDUSSCGKSA-N 2 2 287.379 0.211 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1CC[NH+](CCCF)CC1 ZINC000626071338 368421379 /nfs/dbraw/zinc/42/13/79/368421379.db2.gz ZLJDLMQEEAQWJT-CQSZACIVSA-N 2 2 273.396 0.684 20 0 CCADLP CCC1([NH+]2CCOCC2)CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000626088234 368435513 /nfs/dbraw/zinc/43/55/13/368435513.db2.gz PSYMKQXFADEAGX-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP CC(=O)NC[C@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000626159005 368464514 /nfs/dbraw/zinc/46/45/14/368464514.db2.gz FQUDPDQNZCRXNQ-CABCVRRESA-N 2 2 285.432 0.678 20 0 CCADLP CC(=O)NC[C@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000626159005 368464516 /nfs/dbraw/zinc/46/45/16/368464516.db2.gz FQUDPDQNZCRXNQ-CABCVRRESA-N 2 2 285.432 0.678 20 0 CCADLP CC(=O)NC[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000626159005 368464519 /nfs/dbraw/zinc/46/45/19/368464519.db2.gz FQUDPDQNZCRXNQ-CABCVRRESA-N 2 2 285.432 0.678 20 0 CCADLP CC(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000626159005 368464520 /nfs/dbraw/zinc/46/45/20/368464520.db2.gz FQUDPDQNZCRXNQ-CABCVRRESA-N 2 2 285.432 0.678 20 0 CCADLP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@@H]1CCC[NH2+]1 ZINC000423093723 296125408 /nfs/dbraw/zinc/12/54/08/296125408.db2.gz AERWDTBNDPNJNU-KGLIPLIRSA-N 3 2 268.449 0.743 20 0 CCADLP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CCC[NH2+]1 ZINC000423093723 296125409 /nfs/dbraw/zinc/12/54/09/296125409.db2.gz AERWDTBNDPNJNU-KGLIPLIRSA-N 3 2 268.449 0.743 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000626962425 368698721 /nfs/dbraw/zinc/69/87/21/368698721.db2.gz PATQFFRGSVFVSE-NWDGAFQWSA-N 2 2 284.404 0.147 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000626962425 368698725 /nfs/dbraw/zinc/69/87/25/368698725.db2.gz PATQFFRGSVFVSE-NWDGAFQWSA-N 2 2 284.404 0.147 20 0 CCADLP Cc1ccc(NC(=O)C(=O)N(C)CCOCC[NH3+])c(C)[nH+]1 ZINC000626895953 368670388 /nfs/dbraw/zinc/67/03/88/368670388.db2.gz CMMYFVPKJDUFTI-UHFFFAOYSA-N 2 2 294.355 0.071 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)NCCCn2cc[nH+]c2)C[NH2+]1 ZINC000626917715 368677668 /nfs/dbraw/zinc/67/76/68/368677668.db2.gz LTYVJQBRRLSCQO-VXGBXAGGSA-N 2 2 265.361 0.713 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000627077600 368774893 /nfs/dbraw/zinc/77/48/93/368774893.db2.gz FDGBYHHTRNOAPL-AGIUHOORSA-N 2 2 284.404 0.134 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000627077600 368774896 /nfs/dbraw/zinc/77/48/96/368774896.db2.gz FDGBYHHTRNOAPL-AGIUHOORSA-N 2 2 284.404 0.134 20 0 CCADLP C[C@H]1CC[C@@H](NC(=O)N(C)CC[NH+]2CCOCC2)C[NH2+]1 ZINC000627198829 368867368 /nfs/dbraw/zinc/86/73/68/368867368.db2.gz YDCRTXPZZFNVDP-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP C[NH2+]CCOCCNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000627173943 368847144 /nfs/dbraw/zinc/84/71/44/368847144.db2.gz AFTHLHVGTAXKAD-UHFFFAOYSA-N 2 2 295.387 0.535 20 0 CCADLP C[NH2+]CCOCCNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000627173943 368847149 /nfs/dbraw/zinc/84/71/49/368847149.db2.gz AFTHLHVGTAXKAD-UHFFFAOYSA-N 2 2 295.387 0.535 20 0 CCADLP C[C@@H]1CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)[C@H](C[NH3+])C1 ZINC000627182462 368851496 /nfs/dbraw/zinc/85/14/96/368851496.db2.gz BWWVBSLOEJHRSB-AGIUHOORSA-N 2 2 284.404 0.086 20 0 CCADLP C[C@@H]1CCN(C(=O)NC[C@H]2COCC[N@H+]2C)[C@H](C[NH3+])C1 ZINC000627182462 368851498 /nfs/dbraw/zinc/85/14/98/368851498.db2.gz BWWVBSLOEJHRSB-AGIUHOORSA-N 2 2 284.404 0.086 20 0 CCADLP c1c[nH+]c(N2CC[NH+](CCCn3cc[nH+]c3)CC2)[nH]1 ZINC000566951004 291448774 /nfs/dbraw/zinc/44/87/74/291448774.db2.gz JMESNTLCCLCLAA-UHFFFAOYSA-N 3 2 260.345 0.819 20 0 CCADLP c1cn(CCC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cn1 ZINC000566951004 291448776 /nfs/dbraw/zinc/44/87/76/291448776.db2.gz JMESNTLCCLCLAA-UHFFFAOYSA-N 2 2 260.345 0.819 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@H]21 ZINC000627656010 369069777 /nfs/dbraw/zinc/06/97/77/369069777.db2.gz PRYMXZKRGHKEDX-SCUASFONSA-N 2 2 274.368 0.464 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000628015818 369162927 /nfs/dbraw/zinc/16/29/27/369162927.db2.gz ILFVNHUERAQAEP-MELADBBJSA-N 2 2 294.399 0.805 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000628015818 369162932 /nfs/dbraw/zinc/16/29/32/369162932.db2.gz ILFVNHUERAQAEP-MELADBBJSA-N 2 2 294.399 0.805 20 0 CCADLP Cc1[nH]c(CN2CC[NH+](C[C@@H](C)O)CC2)[nH+]c1C ZINC000628162770 369196027 /nfs/dbraw/zinc/19/60/27/369196027.db2.gz DBYKUROBLJGQOR-SNVBAGLBSA-N 2 2 252.362 0.525 20 0 CCADLP Cc1[nH]c(CN2CN(CC[NH+](C)C)C(=O)[C@H]2C)[nH+]c1C ZINC000628322320 369241455 /nfs/dbraw/zinc/24/14/55/369241455.db2.gz OGPJXNMOPHFTDQ-GFCCVEGCSA-N 2 2 279.388 0.578 20 0 CCADLP Cc1c[nH]c(CN2CCN(c3[nH+]ccn3C)CC2)[nH+]1 ZINC000628352185 369246873 /nfs/dbraw/zinc/24/68/73/369246873.db2.gz ABFDWPVUWRLNGZ-UHFFFAOYSA-N 2 2 260.345 0.774 20 0 CCADLP Cc1[nH]c(CN2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)[nH+]c1C ZINC000628314187 369239705 /nfs/dbraw/zinc/23/97/05/369239705.db2.gz POYRATODQYRAKQ-GHMZBOCLSA-N 2 2 266.389 0.913 20 0 CCADLP Cc1[nH]c(CN2C[C@@H](C)[N@H+](CCO)C[C@H]2C)[nH+]c1C ZINC000628314187 369239709 /nfs/dbraw/zinc/23/97/09/369239709.db2.gz POYRATODQYRAKQ-GHMZBOCLSA-N 2 2 266.389 0.913 20 0 CCADLP CCOc1cc(C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)ccc1O ZINC000628464592 369270797 /nfs/dbraw/zinc/27/07/97/369270797.db2.gz CCCABFZVHIPUIK-CYBMUJFWSA-N 2 2 280.368 0.947 20 0 CCADLP CCOc1cc(C[NH2+]CC[N@H+]2CC[C@@H](O)C2)ccc1O ZINC000628464592 369270803 /nfs/dbraw/zinc/27/08/03/369270803.db2.gz CCCABFZVHIPUIK-CYBMUJFWSA-N 2 2 280.368 0.947 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2C[C@H](O)C2(C)C)C[C@@H](C)O1 ZINC000567235439 291467547 /nfs/dbraw/zinc/46/75/47/291467547.db2.gz KOZYSOLDKRNOBJ-KSTCHIGDSA-N 2 2 286.416 0.206 20 0 CCADLP CN(CCC(=O)NC[C@H]1COCC[N@@H+]1C)c1cc[nH+]cc1 ZINC000628920984 369465941 /nfs/dbraw/zinc/46/59/41/369465941.db2.gz ZMMAROFUUQPXMQ-AWEZNQCLSA-N 2 2 292.383 0.355 20 0 CCADLP CN(CCC(=O)NC[C@H]1COCC[N@H+]1C)c1cc[nH+]cc1 ZINC000628920984 369465946 /nfs/dbraw/zinc/46/59/46/369465946.db2.gz ZMMAROFUUQPXMQ-AWEZNQCLSA-N 2 2 292.383 0.355 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCNC2=O)CC[C@@H]1C(F)(F)F ZINC000629561824 369709501 /nfs/dbraw/zinc/70/95/01/369709501.db2.gz JSOCFCOLAOCKMR-VGMNWLOBSA-N 2 2 265.279 0.334 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCNC2=O)CC[C@@H]1C(F)(F)F ZINC000629561824 369709506 /nfs/dbraw/zinc/70/95/06/369709506.db2.gz JSOCFCOLAOCKMR-VGMNWLOBSA-N 2 2 265.279 0.334 20 0 CCADLP C[NH2+]CCOCC[N@H+](C)Cc1nc(C(C)C)no1 ZINC000629567976 369711923 /nfs/dbraw/zinc/71/19/23/369711923.db2.gz HWJZXHKYDRZULJ-UHFFFAOYSA-N 2 2 256.350 0.861 20 0 CCADLP C[NH2+]CCOCC[N@@H+](C)Cc1nc(C(C)C)no1 ZINC000629567976 369711926 /nfs/dbraw/zinc/71/19/26/369711926.db2.gz HWJZXHKYDRZULJ-UHFFFAOYSA-N 2 2 256.350 0.861 20 0 CCADLP C[C@H]1C[N@H+](CCC[NH2+]C[C@H](O)C[NH+]2CCCC2)CCCO1 ZINC000629576096 369719289 /nfs/dbraw/zinc/71/92/89/369719289.db2.gz RNQPLWITQKZHKG-HOTGVXAUSA-N 3 2 299.459 0.534 20 0 CCADLP C[C@H]1C[N@@H+](CCC[NH2+]C[C@H](O)C[NH+]2CCCC2)CCCO1 ZINC000629576096 369719291 /nfs/dbraw/zinc/71/92/91/369719291.db2.gz RNQPLWITQKZHKG-HOTGVXAUSA-N 3 2 299.459 0.534 20 0 CCADLP CC(=O)c1cccc(NC(=O)C[N@H+](C)CCOCC[NH3+])c1 ZINC000629576453 369719358 /nfs/dbraw/zinc/71/93/58/369719358.db2.gz TZTBUYLPLJIDEK-UHFFFAOYSA-N 2 2 293.367 0.735 20 0 CCADLP CC(=O)c1cccc(NC(=O)C[N@@H+](C)CCOCC[NH3+])c1 ZINC000629576453 369719359 /nfs/dbraw/zinc/71/93/59/369719359.db2.gz TZTBUYLPLJIDEK-UHFFFAOYSA-N 2 2 293.367 0.735 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000276507960 193360712 /nfs/dbraw/zinc/36/07/12/193360712.db2.gz ARGYYJCMQVYFSX-CYBMUJFWSA-N 2 2 264.373 0.905 20 0 CCADLP COCc1nc(C[N@H+](C)CCOCC[NH3+])cs1 ZINC000629578910 369720514 /nfs/dbraw/zinc/72/05/14/369720514.db2.gz XTLASQINFCSSCM-UHFFFAOYSA-N 2 2 259.375 0.697 20 0 CCADLP COCc1nc(C[N@@H+](C)CCOCC[NH3+])cs1 ZINC000629578910 369720517 /nfs/dbraw/zinc/72/05/17/369720517.db2.gz XTLASQINFCSSCM-UHFFFAOYSA-N 2 2 259.375 0.697 20 0 CCADLP COCC[NH2+]C1CC[NH+](CCOC2CCOCC2)CC1 ZINC000629536959 369696384 /nfs/dbraw/zinc/69/63/84/369696384.db2.gz JNIWUCOEAPFIPY-UHFFFAOYSA-N 2 2 286.416 0.882 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC000629546230 369699036 /nfs/dbraw/zinc/69/90/36/369699036.db2.gz GDMVHERADWWBBT-KBPBESRZSA-N 2 2 297.443 0.992 20 0 CCADLP C[C@@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)[C@H]1CCC[NH2+]1 ZINC000629555776 369705107 /nfs/dbraw/zinc/70/51/07/369705107.db2.gz DJVYKCHHRXZALE-RTXFEEFZSA-N 2 2 251.374 0.870 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCN(C2CCC2)C1=O)C1CC1 ZINC000629617006 369742037 /nfs/dbraw/zinc/74/20/37/369742037.db2.gz DUYPHIWBOOFNRZ-ZIAGYGMSSA-N 2 2 281.400 0.185 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCN(C2CCC2)C1=O)C1CC1 ZINC000629617006 369742043 /nfs/dbraw/zinc/74/20/43/369742043.db2.gz DUYPHIWBOOFNRZ-ZIAGYGMSSA-N 2 2 281.400 0.185 20 0 CCADLP Cc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c(=O)n1C ZINC000629580282 369723237 /nfs/dbraw/zinc/72/32/37/369723237.db2.gz WBJVZTGEJGYBLM-AWEZNQCLSA-N 2 2 279.384 0.240 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C[NH+]1CCCC1 ZINC000629579463 369723592 /nfs/dbraw/zinc/72/35/92/369723592.db2.gz DAYOWBNPNUGUAQ-VXGBXAGGSA-N 3 2 264.373 0.313 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C[NH+]1CCCC1 ZINC000629579463 369723596 /nfs/dbraw/zinc/72/35/96/369723596.db2.gz DAYOWBNPNUGUAQ-VXGBXAGGSA-N 3 2 264.373 0.313 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CCc2nc[nH]c2C1)C[NH+]1CCCC1 ZINC000629579463 369723600 /nfs/dbraw/zinc/72/36/00/369723600.db2.gz DAYOWBNPNUGUAQ-VXGBXAGGSA-N 2 2 264.373 0.313 20 0 CCADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)[C@@H](O)C(F)(F)F ZINC000629583275 369726787 /nfs/dbraw/zinc/72/67/87/369726787.db2.gz XNTQUFYFXRUGHU-LPEHRKFASA-N 2 2 270.295 0.344 20 0 CCADLP OC[C@@H](CC(F)(F)F)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629583931 369727650 /nfs/dbraw/zinc/72/76/50/369727650.db2.gz LTEFDUIMZOCDLO-NXEZZACHSA-N 2 2 270.295 0.346 20 0 CCADLP CN(C)S(=O)(=O)CCC[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585396 369729502 /nfs/dbraw/zinc/72/95/02/369729502.db2.gz UMTWUTDKRYHIHJ-BETUJISGSA-N 2 2 289.445 0.199 20 0 CCADLP CN(C)S(=O)(=O)CCC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629585396 369729506 /nfs/dbraw/zinc/72/95/06/369729506.db2.gz UMTWUTDKRYHIHJ-BETUJISGSA-N 2 2 289.445 0.199 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NC1CC([NH+](C)C)C1)CC2 ZINC000629989399 369876033 /nfs/dbraw/zinc/87/60/33/369876033.db2.gz SYVYDULDLWBPCP-PNESKVBLSA-N 2 2 276.384 0.963 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCn1cc(CC[NH+](C)C)nn1 ZINC000630612178 370209250 /nfs/dbraw/zinc/20/92/50/370209250.db2.gz RPCUNSNWCLPDHN-UHFFFAOYSA-N 3 2 282.436 0.266 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCn1cc(CC[NH+](C)C)nn1 ZINC000630612178 370209254 /nfs/dbraw/zinc/20/92/54/370209254.db2.gz RPCUNSNWCLPDHN-UHFFFAOYSA-N 3 2 282.436 0.266 20 0 CCADLP C[C@H](C[NH2+]Cc1ccc(=O)[nH]c1)C[NH+]1CCOCC1 ZINC000631075896 370378541 /nfs/dbraw/zinc/37/85/41/370378541.db2.gz HIOBQHAMJKXKJS-GFCCVEGCSA-N 2 2 265.357 0.845 20 0 CCADLP CC[C@@H](C[NH+]1CCCC1)Nc1nc(C)[nH+]c(N)n1 ZINC000631120915 370390322 /nfs/dbraw/zinc/39/03/22/370390322.db2.gz MYQLEDQHKJROAE-JTQLQIEISA-N 2 2 250.350 0.879 20 0 CCADLP Cc1cc(C[NH2+]C2(CCO)CC[NH+](C)CC2)on1 ZINC000631166684 370408805 /nfs/dbraw/zinc/40/88/05/370408805.db2.gz KYWHEANULNLYJO-UHFFFAOYSA-N 2 2 253.346 0.919 20 0 CCADLP Cc1nc(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)nc(N)[nH+]1 ZINC000631276169 370450078 /nfs/dbraw/zinc/45/00/78/370450078.db2.gz LGOBVXJNHUGRAV-KOLCDFICSA-N 2 2 262.361 0.656 20 0 CCADLP Cc1nc(N2CCC[C@@H]([NH+](C)C)CC2)nc(N)[nH+]1 ZINC000631246422 370436427 /nfs/dbraw/zinc/43/64/27/370436427.db2.gz CGHAGGRRMARTKI-SNVBAGLBSA-N 2 2 250.350 0.513 20 0 CCADLP Cc1nc(N)nc(N2CCC[C@@H]([NH+](C)C)CC2)[nH+]1 ZINC000631246422 370436434 /nfs/dbraw/zinc/43/64/34/370436434.db2.gz CGHAGGRRMARTKI-SNVBAGLBSA-N 2 2 250.350 0.513 20 0 CCADLP Cc1nc(NC[C@H]2CC[N@@H+]2C2CCCC2)nc(N)[nH+]1 ZINC000631404518 370519944 /nfs/dbraw/zinc/51/99/44/370519944.db2.gz VGHUAFTXFYUPGI-LLVKDONJSA-N 2 2 262.361 0.443 20 0 CCADLP Cc1nc(NC[C@H]2CC[N@H+]2C2CCCC2)nc(N)[nH+]1 ZINC000631404518 370519948 /nfs/dbraw/zinc/51/99/48/370519948.db2.gz VGHUAFTXFYUPGI-LLVKDONJSA-N 2 2 262.361 0.443 20 0 CCADLP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000331938755 204315220 /nfs/dbraw/zinc/31/52/20/204315220.db2.gz FPTHUGCCKBJPCJ-KBPBESRZSA-N 3 2 282.432 0.400 20 0 CCADLP CC[C@@]1(O)CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000640036714 376206159 /nfs/dbraw/zinc/20/61/59/376206159.db2.gz WLXKGOUOGLQLBH-UONOGXRCSA-N 2 2 256.390 0.678 20 0 CCADLP CC[C@@]1(O)CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000640036714 376206164 /nfs/dbraw/zinc/20/61/64/376206164.db2.gz WLXKGOUOGLQLBH-UONOGXRCSA-N 2 2 256.390 0.678 20 0 CCADLP CC[C@@]1(O)CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000640036714 376206171 /nfs/dbraw/zinc/20/61/71/376206171.db2.gz WLXKGOUOGLQLBH-UONOGXRCSA-N 2 2 256.390 0.678 20 0 CCADLP CC[C@@]1(O)CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000640036714 376206175 /nfs/dbraw/zinc/20/61/75/376206175.db2.gz WLXKGOUOGLQLBH-UONOGXRCSA-N 2 2 256.390 0.678 20 0 CCADLP CC(C)[C@@H]1C[C@H]1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000633659406 371662438 /nfs/dbraw/zinc/66/24/38/371662438.db2.gz YDMLQCCEYDKVEZ-AVGNSLFASA-N 2 2 268.405 0.563 20 0 CCADLP CC(C)[C@@H]1C[C@H]1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000633659406 371662442 /nfs/dbraw/zinc/66/24/42/371662442.db2.gz YDMLQCCEYDKVEZ-AVGNSLFASA-N 2 2 268.405 0.563 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000337372307 214036412 /nfs/dbraw/zinc/03/64/12/214036412.db2.gz RPVLABYUXFWXQO-CQSZACIVSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)O1 ZINC000634688405 372133556 /nfs/dbraw/zinc/13/35/56/372133556.db2.gz RJIHQBMMOWTBIV-MCIONIFRSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@@H]1CC[C@@H](C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)O1 ZINC000634688405 372133564 /nfs/dbraw/zinc/13/35/64/372133564.db2.gz RJIHQBMMOWTBIV-MCIONIFRSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@](O)(C[C@H](O)C[NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000634712088 372158017 /nfs/dbraw/zinc/15/80/17/372158017.db2.gz YXXPVUMRHNVJIH-IPYPFGDCSA-N 2 2 279.384 0.700 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCCC(F)(F)CC1 ZINC000634738067 372181449 /nfs/dbraw/zinc/18/14/49/372181449.db2.gz HDBAVEZTUQOBPW-SNVBAGLBSA-N 2 2 263.332 0.913 20 0 CCADLP COC[C@H](CO)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634720672 372166467 /nfs/dbraw/zinc/16/64/67/372166467.db2.gz NTJPRWDWHIJCFT-HOTGVXAUSA-N 2 2 294.395 0.220 20 0 CCADLP COC[C@H](CO)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634720672 372166486 /nfs/dbraw/zinc/16/64/86/372166486.db2.gz NTJPRWDWHIJCFT-HOTGVXAUSA-N 2 2 294.395 0.220 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCO[C@H](C(F)F)CC1)C1CC1 ZINC000634758286 372206310 /nfs/dbraw/zinc/20/63/10/372206310.db2.gz MFOAFBGVDRXZJG-NEPJUHHUSA-N 2 2 278.343 0.798 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCO[C@H](C(F)F)CC1)C1CC1 ZINC000634758286 372206314 /nfs/dbraw/zinc/20/63/14/372206314.db2.gz MFOAFBGVDRXZJG-NEPJUHHUSA-N 2 2 278.343 0.798 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCO[C@H](C(F)F)CC1)C1CC1 ZINC000634758286 372206325 /nfs/dbraw/zinc/20/63/25/372206325.db2.gz MFOAFBGVDRXZJG-NEPJUHHUSA-N 2 2 278.343 0.798 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCO[C@H](C(F)F)CC1)C1CC1 ZINC000634758286 372206332 /nfs/dbraw/zinc/20/63/32/372206332.db2.gz MFOAFBGVDRXZJG-NEPJUHHUSA-N 2 2 278.343 0.798 20 0 CCADLP C[C@H](O)CNc1cc(N2CCC[C@H]([NH3+])C2)nc[nH+]1 ZINC000634807696 372248042 /nfs/dbraw/zinc/24/80/42/372248042.db2.gz XOYXJYUUHHWLKP-UWVGGRQHSA-N 2 2 251.334 0.197 20 0 CCADLP OC[C@@H]1CCCCN1c1cc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[nH+]cn1 ZINC000634810394 372253678 /nfs/dbraw/zinc/25/36/78/372253678.db2.gz WGQYWASXQLZPOW-UUIJZJDISA-N 2 2 289.383 0.458 20 0 CCADLP OC[C@@H]1CCCCN1c1cc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)nc[nH+]1 ZINC000634810394 372253683 /nfs/dbraw/zinc/25/36/83/372253683.db2.gz WGQYWASXQLZPOW-UUIJZJDISA-N 2 2 289.383 0.458 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H]2CCNC(=O)CC2)C1 ZINC000634950474 372308858 /nfs/dbraw/zinc/30/88/58/372308858.db2.gz STVMVGSKSSZQSG-UONOGXRCSA-N 2 2 283.416 0.602 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2CCNC(=O)CC2)C1 ZINC000634950474 372308862 /nfs/dbraw/zinc/30/88/62/372308862.db2.gz STVMVGSKSSZQSG-UONOGXRCSA-N 2 2 283.416 0.602 20 0 CCADLP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1nnc(C2CCOCC2)[nH]1 ZINC000635006376 372339888 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C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H]1C[N@H+](C)CCO1 ZINC000635713461 372801730 /nfs/dbraw/zinc/80/17/30/372801730.db2.gz GJAMPAFDAIEZDU-WGBDABJCSA-N 2 2 278.356 0.349 20 0 CCADLP C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000635713461 372801737 /nfs/dbraw/zinc/80/17/37/372801737.db2.gz GJAMPAFDAIEZDU-WGBDABJCSA-N 2 2 278.356 0.349 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635870313 373026126 /nfs/dbraw/zinc/02/61/26/373026126.db2.gz VMOZJBJLAIOZHE-ZIAGYGMSSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635870313 373026135 /nfs/dbraw/zinc/02/61/35/373026135.db2.gz VMOZJBJLAIOZHE-ZIAGYGMSSA-N 2 2 283.416 0.507 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@@H](C)C[NH+](C)C)[nH+]1 ZINC000635953532 373150908 /nfs/dbraw/zinc/15/09/08/373150908.db2.gz LBPCVDHELZSHCK-SNVBAGLBSA-N 2 2 252.362 0.829 20 0 CCADLP C[NH+](C)CC1(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000635976486 373192198 /nfs/dbraw/zinc/19/21/98/373192198.db2.gz WGWFFMYYAGIXAM-AWEZNQCLSA-N 2 2 295.427 0.651 20 0 CCADLP CCc1c[nH]c(CC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)[nH+]1 ZINC000636036055 373283696 /nfs/dbraw/zinc/28/36/96/373283696.db2.gz XXQJGMNITCKGBF-VXGBXAGGSA-N 2 2 294.399 0.428 20 0 CCADLP CCc1c[nH]c(CC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)[nH+]1 ZINC000636036055 373283702 /nfs/dbraw/zinc/28/37/02/373283702.db2.gz XXQJGMNITCKGBF-VXGBXAGGSA-N 2 2 294.399 0.428 20 0 CCADLP C[C@H](C(=O)N1CC[NH+](CCc2ccncc2)CC1)[NH+](C)C ZINC000636293126 373531459 /nfs/dbraw/zinc/53/14/59/373531459.db2.gz SCFGGAKJVVPTDC-CQSZACIVSA-N 2 2 290.411 0.718 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)N[C@H]2Cc3c[nH+]cn3C2)C[N@@H+]1C1CC1 ZINC000636907071 373813888 /nfs/dbraw/zinc/81/38/88/373813888.db2.gz JFQKGFUKZOABEB-WOPDTQHZSA-N 2 2 289.383 0.732 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)N[C@H]2Cc3c[nH+]cn3C2)C[N@H+]1C1CC1 ZINC000636907071 373813896 /nfs/dbraw/zinc/81/38/96/373813896.db2.gz JFQKGFUKZOABEB-WOPDTQHZSA-N 2 2 289.383 0.732 20 0 CCADLP CCC[N@H+](CC)CCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636881650 373800661 /nfs/dbraw/zinc/80/06/61/373800661.db2.gz SSVFHFGURAGHPC-GFCCVEGCSA-N 2 2 279.388 0.839 20 0 CCADLP CCC[N@@H+](CC)CCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636881650 373800668 /nfs/dbraw/zinc/80/06/68/373800668.db2.gz SSVFHFGURAGHPC-GFCCVEGCSA-N 2 2 279.388 0.839 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000637147554 373956430 /nfs/dbraw/zinc/95/64/30/373956430.db2.gz RORFVGOQLQZAHA-VHSXEESVSA-N 2 2 251.334 0.057 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000637283616 374073981 /nfs/dbraw/zinc/07/39/81/374073981.db2.gz WBRUHCUOENSPDJ-VXGBXAGGSA-N 2 2 277.372 0.591 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000637283616 374073990 /nfs/dbraw/zinc/07/39/90/374073990.db2.gz WBRUHCUOENSPDJ-VXGBXAGGSA-N 2 2 277.372 0.591 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+](C)CCc2c[nH+]cn2C)no1 ZINC000289489673 197372167 /nfs/dbraw/zinc/37/21/67/197372167.db2.gz CITFKDQSSJLWLG-UHFFFAOYSA-N 2 2 277.328 0.830 20 0 CCADLP Cc1cc(NC(=O)C[N@H+](C)CCc2c[nH+]cn2C)no1 ZINC000289489673 197372169 /nfs/dbraw/zinc/37/21/69/197372169.db2.gz CITFKDQSSJLWLG-UHFFFAOYSA-N 2 2 277.328 0.830 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@H]1COCC[NH+]1C ZINC000637440167 374154053 /nfs/dbraw/zinc/15/40/53/374154053.db2.gz GRFLUAWKPKGJQK-OLZOCXBDSA-N 2 2 284.404 0.053 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NC[C@H]1COCC[NH+]1C ZINC000637440167 374154059 /nfs/dbraw/zinc/15/40/59/374154059.db2.gz GRFLUAWKPKGJQK-OLZOCXBDSA-N 2 2 284.404 0.053 20 0 CCADLP CC[C@@H]1C[NH+](C)CCN1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637440167 374154065 /nfs/dbraw/zinc/15/40/65/374154065.db2.gz GRFLUAWKPKGJQK-OLZOCXBDSA-N 2 2 284.404 0.053 20 0 CCADLP CC[C@@H]1C[NH+](C)CCN1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000637440167 374154073 /nfs/dbraw/zinc/15/40/73/374154073.db2.gz GRFLUAWKPKGJQK-OLZOCXBDSA-N 2 2 284.404 0.053 20 0 CCADLP CC(C)N(CC[NH+](C)C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637443133 374164188 /nfs/dbraw/zinc/16/41/88/374164188.db2.gz KNQPEIJXFSLQKV-CYBMUJFWSA-N 2 2 286.420 0.299 20 0 CCADLP CC(C)N(CC[NH+](C)C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637443133 374164192 /nfs/dbraw/zinc/16/41/92/374164192.db2.gz KNQPEIJXFSLQKV-CYBMUJFWSA-N 2 2 286.420 0.299 20 0 CCADLP CN(C(=O)NC[C@@H]1COCC[NH+]1C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000637442319 374164769 /nfs/dbraw/zinc/16/47/69/374164769.db2.gz DRYDYFWXTYMWQE-UONOGXRCSA-N 2 2 296.415 0.195 20 0 CCADLP CN(C(=O)NC[C@@H]1COCC[NH+]1C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000637442319 374164776 /nfs/dbraw/zinc/16/47/76/374164776.db2.gz DRYDYFWXTYMWQE-UONOGXRCSA-N 2 2 296.415 0.195 20 0 CCADLP CN(C(=O)NC[C@@H]1COCC[N@@H+]1C)[C@H]1CC[NH+](C2CC2)C1 ZINC000637442319 374164784 /nfs/dbraw/zinc/16/47/84/374164784.db2.gz DRYDYFWXTYMWQE-UONOGXRCSA-N 2 2 296.415 0.195 20 0 CCADLP CN(C(=O)NC[C@@H]1COCC[N@H+]1C)[C@H]1CC[NH+](C2CC2)C1 ZINC000637442319 374164788 /nfs/dbraw/zinc/16/47/88/374164788.db2.gz DRYDYFWXTYMWQE-UONOGXRCSA-N 2 2 296.415 0.195 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC(C)(C)F ZINC000637592818 374249588 /nfs/dbraw/zinc/24/95/88/374249588.db2.gz QMSQMKNBRKVNGL-UHFFFAOYSA-N 2 2 276.400 0.917 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC(C)(C)F ZINC000637592818 374249592 /nfs/dbraw/zinc/24/95/92/374249592.db2.gz QMSQMKNBRKVNGL-UHFFFAOYSA-N 2 2 276.400 0.917 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000289487364 197371357 /nfs/dbraw/zinc/37/13/57/197371357.db2.gz CKKTYPGBVQIYIH-LBPRGKRZSA-N 2 2 274.324 0.999 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CCC(C[NH3+])CC2)[nH+]1 ZINC000637803285 374331107 /nfs/dbraw/zinc/33/11/07/374331107.db2.gz CDEJVVMMKZLZOB-UHFFFAOYSA-N 2 2 250.346 0.712 20 0 CCADLP [NH3+][C@@H]1CCN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000637803036 374331193 /nfs/dbraw/zinc/33/11/93/374331193.db2.gz XDWXMBCHWUFEMG-RKDXNWHRSA-N 2 2 276.262 0.936 20 0 CCADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N[C@@H]1CC[NH2+]C1 ZINC000637810364 374343326 /nfs/dbraw/zinc/34/33/26/374343326.db2.gz DAZAVJKSMHLFAW-BDAKNGLRSA-N 2 2 276.262 0.855 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@@H]([NH3+])C(C)C)CC2 ZINC000637849156 374404522 /nfs/dbraw/zinc/40/45/22/374404522.db2.gz MZVLJYFPJOMDAS-VXGBXAGGSA-N 2 2 264.373 0.853 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)[nH+]1 ZINC000637849918 374406227 /nfs/dbraw/zinc/40/62/27/374406227.db2.gz SWAFDECHEBGVHQ-GXSJLCMTSA-N 2 2 250.346 0.710 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@]2(COC)CCCC[NH2+]2)CC1 ZINC000638046622 374587584 /nfs/dbraw/zinc/58/75/84/374587584.db2.gz IBDARQQZLJNYAF-CQSZACIVSA-N 2 2 269.389 0.309 20 0 CCADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000638051541 374594233 /nfs/dbraw/zinc/59/42/33/374594233.db2.gz KKYJHVDVUCITQU-WFASDCNBSA-N 2 2 288.351 0.718 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)c2cnc(C[NH3+])nc2)CC1 ZINC000638059842 374604716 /nfs/dbraw/zinc/60/47/16/374604716.db2.gz NTIPDGQSIOSOAI-UHFFFAOYSA-N 2 2 263.345 0.102 20 0 CCADLP CC[NH2+][C@H](C)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000638061698 374607187 /nfs/dbraw/zinc/60/71/87/374607187.db2.gz LJWZZZVXZJWEGF-GFCCVEGCSA-N 2 2 292.383 0.532 20 0 CCADLP CC[NH+](CC)CCCCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000638066876 374611676 /nfs/dbraw/zinc/61/16/76/374611676.db2.gz NNIQTOYULGVTOQ-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP COc1cc[nH+]cc1NC(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638091510 374652977 /nfs/dbraw/zinc/65/29/77/374652977.db2.gz WUNPZRFLIXCXLK-RNCFNFMXSA-N 2 2 265.313 0.796 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)CCC1C[NH2+]C1 ZINC000638097589 374659779 /nfs/dbraw/zinc/65/97/79/374659779.db2.gz GEHUKZFQJRMRRG-UHFFFAOYSA-N 2 2 269.389 0.213 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)CCC1C[NH2+]C1 ZINC000638097589 374659784 /nfs/dbraw/zinc/65/97/84/374659784.db2.gz GEHUKZFQJRMRRG-UHFFFAOYSA-N 2 2 269.389 0.213 20 0 CCADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2[nH+]ccn2CC(C)C)C1 ZINC000638123607 374690530 /nfs/dbraw/zinc/69/05/30/374690530.db2.gz QXKRAVBBQAMGHX-IUODEOHRSA-N 2 2 294.399 0.922 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000638230395 374821783 /nfs/dbraw/zinc/82/17/83/374821783.db2.gz KFRHBDWVVQOZBW-ZDSQKVDBSA-N 2 2 250.346 0.763 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000638230395 374821787 /nfs/dbraw/zinc/82/17/87/374821787.db2.gz KFRHBDWVVQOZBW-ZDSQKVDBSA-N 2 2 250.346 0.763 20 0 CCADLP O=C(CCC1C[NH2+]C1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000638270129 374871794 /nfs/dbraw/zinc/87/17/94/374871794.db2.gz BMKWGTSTQIGZGS-UHFFFAOYSA-N 2 2 288.395 0.725 20 0 CCADLP COc1cccc(C[C@@H]([NH3+])C(=O)NCc2c[nH+]c[nH]2)c1 ZINC000638280408 374885339 /nfs/dbraw/zinc/88/53/39/374885339.db2.gz AHTOLQQTCCOARB-CYBMUJFWSA-N 2 2 274.324 0.605 20 0 CCADLP COc1cccc(C[C@@H]([NH3+])C(=O)NCc2c[nH]c[nH+]2)c1 ZINC000638280408 374885343 /nfs/dbraw/zinc/88/53/43/374885343.db2.gz AHTOLQQTCCOARB-CYBMUJFWSA-N 2 2 274.324 0.605 20 0 CCADLP O=C(C[C@@H](n1cc[nH+]c1)C(F)(F)F)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000638242388 374835054 /nfs/dbraw/zinc/83/50/54/374835054.db2.gz CVAYWJNFCSIPGR-LOKLDPHHSA-N 2 2 288.273 0.711 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000638290027 374898803 /nfs/dbraw/zinc/89/88/03/374898803.db2.gz OVSUOQXEWVBGMT-NEPJUHHUSA-N 2 2 262.357 0.775 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@]1(C)CC[NH2+]C1)CC2 ZINC000638438812 375041795 /nfs/dbraw/zinc/04/17/95/375041795.db2.gz DCPMBFVHPZYCJP-BXUZGUMPSA-N 2 2 262.357 0.622 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCN1CC(F)F ZINC000638517318 375110125 /nfs/dbraw/zinc/11/01/25/375110125.db2.gz STCHTFGWLVXDLK-WDEREUQCSA-N 2 2 292.374 0.111 20 0 CCADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000638468868 375070234 /nfs/dbraw/zinc/07/02/34/375070234.db2.gz WVYXXLMCVRUGED-VIFPVBQESA-N 2 2 291.442 0.825 20 0 CCADLP C[NH+](C)CC[C@@H]([NH2+]Cc1cnc(N)nc1N)C(C)(C)C ZINC000638602488 375183032 /nfs/dbraw/zinc/18/30/32/375183032.db2.gz CTHWCQHNGKWYLL-LLVKDONJSA-N 2 2 280.420 0.758 20 0 CCADLP Cc1nnsc1C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000638571516 375147237 /nfs/dbraw/zinc/14/72/37/375147237.db2.gz RZDZKXZJCSJKIL-LLVKDONJSA-N 2 2 297.428 0.524 20 0 CCADLP Cc1nnsc1C[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000638571516 375147242 /nfs/dbraw/zinc/14/72/42/375147242.db2.gz RZDZKXZJCSJKIL-LLVKDONJSA-N 2 2 297.428 0.524 20 0 CCADLP C[NH2+]CCOCCNC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000638576445 375154489 /nfs/dbraw/zinc/15/44/89/375154489.db2.gz GXSVNOXZJFPQCD-LBPRGKRZSA-N 2 2 287.310 0.317 20 0 CCADLP C[NH2+]CCOCCNC(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000638578378 375157427 /nfs/dbraw/zinc/15/74/27/375157427.db2.gz FGEALOABGPVEKT-UHFFFAOYSA-N 2 2 290.367 0.697 20 0 CCADLP Cc1cc(NCCNC(=O)[C@H]2C[C@@H]([NH3+])C2)nc(C(C)C)[nH+]1 ZINC000638582931 375162485 /nfs/dbraw/zinc/16/24/85/375162485.db2.gz DCSOLYDOWZKTFV-TXEJJXNPSA-N 2 2 291.399 0.596 20 0 CCADLP Cc1cnc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)o1 ZINC000638600099 375179515 /nfs/dbraw/zinc/17/95/15/375179515.db2.gz VZNXUPBRASMLAL-AWEZNQCLSA-N 2 2 294.399 0.479 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)c1ccc(C[NH3+])cc1 ZINC000638610891 375191649 /nfs/dbraw/zinc/19/16/49/375191649.db2.gz LSWUNNLBXXMWGM-CYBMUJFWSA-N 2 2 263.341 0.206 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)c1ccc(C[NH3+])cc1 ZINC000638610891 375191651 /nfs/dbraw/zinc/19/16/51/375191651.db2.gz LSWUNNLBXXMWGM-CYBMUJFWSA-N 2 2 263.341 0.206 20 0 CCADLP CC(C)CC[C@H]([NH3+])C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638611330 375191833 /nfs/dbraw/zinc/19/18/33/375191833.db2.gz OFEFFXUYVJNRLC-RYUDHWBXSA-N 2 2 257.378 0.197 20 0 CCADLP CC(C)CC[C@H]([NH3+])C(=O)NC[C@H]1COCC[N@H+]1C ZINC000638611330 375191837 /nfs/dbraw/zinc/19/18/37/375191837.db2.gz OFEFFXUYVJNRLC-RYUDHWBXSA-N 2 2 257.378 0.197 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000638612372 375194264 /nfs/dbraw/zinc/19/42/64/375194264.db2.gz VEFKKHNTGQHWJZ-MELADBBJSA-N 2 2 281.400 0.069 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000638612372 375194272 /nfs/dbraw/zinc/19/42/72/375194272.db2.gz VEFKKHNTGQHWJZ-MELADBBJSA-N 2 2 281.400 0.069 20 0 CCADLP CO[C@@H](C[NH2+]C[C@@H](C)C[NH+]1CCOCC1)C1CC1 ZINC000638674824 375279518 /nfs/dbraw/zinc/27/95/18/375279518.db2.gz NYGDJTORZATRAC-OCCSQVGLSA-N 2 2 256.390 0.969 20 0 CCADLP CO[C@H](C[NH2+]CC[N@@H+]1CC[C@@H](C)C1)[C@H]1CCOC1 ZINC000638873157 375417773 /nfs/dbraw/zinc/41/77/73/375417773.db2.gz FCJFEHGCQCZYSM-HZSPNIEDSA-N 2 2 256.390 0.969 20 0 CCADLP CO[C@H](C[NH2+]CC[N@H+]1CC[C@@H](C)C1)[C@H]1CCOC1 ZINC000638873157 375417775 /nfs/dbraw/zinc/41/77/75/375417775.db2.gz FCJFEHGCQCZYSM-HZSPNIEDSA-N 2 2 256.390 0.969 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000639016400 375519446 /nfs/dbraw/zinc/51/94/46/375519446.db2.gz INJIEHQRSIOAIH-LBPRGKRZSA-N 2 2 252.318 0.124 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC000639022345 375527387 /nfs/dbraw/zinc/52/73/87/375527387.db2.gz GUMHHOGXKURLRL-JSGCOSHPSA-N 3 2 290.411 0.430 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639022597 375527434 /nfs/dbraw/zinc/52/74/34/375527434.db2.gz JWKYYNCOORNAMG-STQMWFEESA-N 2 2 262.357 0.874 20 0 CCADLP CC[N@H+](CCO)CC[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1 ZINC000639053540 375549773 /nfs/dbraw/zinc/54/97/73/375549773.db2.gz JHCGLBRWIJTYDK-OLZOCXBDSA-N 2 2 271.405 0.338 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1 ZINC000639053540 375549777 /nfs/dbraw/zinc/54/97/77/375549777.db2.gz JHCGLBRWIJTYDK-OLZOCXBDSA-N 2 2 271.405 0.338 20 0 CCADLP CC[C@@H](C)[NH+]1CCN(Cc2c[nH+]c(N)nc2N)CC1 ZINC000639234505 375652600 /nfs/dbraw/zinc/65/26/00/375652600.db2.gz IMFGMIDKSGVXJW-SNVBAGLBSA-N 2 2 264.377 0.218 20 0 CCADLP O=C(C[NH2+]Cc1ccon1)NCC[NH+]1CCCCCC1 ZINC000639204961 375631329 /nfs/dbraw/zinc/63/13/29/375631329.db2.gz GZSRLRXGGJLZCQ-UHFFFAOYSA-N 2 2 280.372 0.756 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(CCCO)C2)CC[N@@H+]1C ZINC000639220315 375645335 /nfs/dbraw/zinc/64/53/35/375645335.db2.gz XYCSREBMBVZEFA-ILXRZTDVSA-N 2 2 269.433 0.906 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(CCCO)C2)CC[N@H+]1C ZINC000639220315 375645343 /nfs/dbraw/zinc/64/53/43/375645343.db2.gz XYCSREBMBVZEFA-ILXRZTDVSA-N 2 2 269.433 0.906 20 0 CCADLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ncnn2C)CC1 ZINC000639252483 375666094 /nfs/dbraw/zinc/66/60/94/375666094.db2.gz JEQWWJKUGUECCP-UHFFFAOYSA-N 2 2 280.420 0.321 20 0 CCADLP CO[C@H](C[NH2+]CCc1cn(C)c[nH+]1)C1CCOCC1 ZINC000639255844 375668124 /nfs/dbraw/zinc/66/81/24/375668124.db2.gz MXPVTMWLIVSVKF-CQSZACIVSA-N 2 2 267.373 0.994 20 0 CCADLP COc1c(C)c[nH+]c(CN2CC[N@H+](C)C[C@@H]2CO)c1C ZINC000639333242 375730582 /nfs/dbraw/zinc/73/05/82/375730582.db2.gz GPUACECBUUAWAQ-CYBMUJFWSA-N 2 2 279.384 0.815 20 0 CCADLP COc1c(C)c[nH+]c(CN2CC[N@@H+](C)C[C@@H]2CO)c1C ZINC000639333242 375730588 /nfs/dbraw/zinc/73/05/88/375730588.db2.gz GPUACECBUUAWAQ-CYBMUJFWSA-N 2 2 279.384 0.815 20 0 CCADLP COc1cc(C)[nH+]c(CN2CC[N@H+](C)C[C@H]2CO)c1 ZINC000639336017 375736956 /nfs/dbraw/zinc/73/69/56/375736956.db2.gz CVGYDTSHDDOSOM-ZDUSSCGKSA-N 2 2 265.357 0.507 20 0 CCADLP COc1cc(C)[nH+]c(CN2CC[N@@H+](C)C[C@H]2CO)c1 ZINC000639336017 375736963 /nfs/dbraw/zinc/73/69/63/375736963.db2.gz CVGYDTSHDDOSOM-ZDUSSCGKSA-N 2 2 265.357 0.507 20 0 CCADLP CO[C@]1(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)CCOC1 ZINC000639350370 375751400 /nfs/dbraw/zinc/75/14/00/375751400.db2.gz GWXOHOSEKMFXFX-INIZCTEOSA-N 2 2 298.427 0.979 20 0 CCADLP C[NH+]1CCN(c2ncc(C[NH2+]C3(C)COC3)cn2)CC1 ZINC000639380474 375770457 /nfs/dbraw/zinc/77/04/57/375770457.db2.gz FPDUXRKRERXACZ-UHFFFAOYSA-N 2 2 277.372 0.107 20 0 CCADLP C[C@@H]1OCC[C@H]1C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000639547503 375830804 /nfs/dbraw/zinc/83/08/04/375830804.db2.gz WZVGEFBQNYHTLA-YDHLFZDLSA-N 2 2 295.427 0.826 20 0 CCADLP C[C@@H]1OCC[C@H]1C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000639547503 375830809 /nfs/dbraw/zinc/83/08/09/375830809.db2.gz WZVGEFBQNYHTLA-YDHLFZDLSA-N 2 2 295.427 0.826 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000656702131 412843455 /nfs/dbraw/zinc/84/34/55/412843455.db2.gz LUCPKJANHMLWSX-MELADBBJSA-N 2 2 288.432 0.861 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000656702131 412843457 /nfs/dbraw/zinc/84/34/57/412843457.db2.gz LUCPKJANHMLWSX-MELADBBJSA-N 2 2 288.432 0.861 20 0 CCADLP C[C@H](O)C[C@H]1COCC[N@@H+]1CCc1c[nH+]cn1C ZINC000639586864 375844261 /nfs/dbraw/zinc/84/42/61/375844261.db2.gz ADCZIPMXFZKZIN-AAEUAGOBSA-N 2 2 253.346 0.434 20 0 CCADLP C[C@H](O)C[C@H]1COCC[N@H+]1CCc1c[nH+]cn1C ZINC000639586864 375844267 /nfs/dbraw/zinc/84/42/67/375844267.db2.gz ADCZIPMXFZKZIN-AAEUAGOBSA-N 2 2 253.346 0.434 20 0 CCADLP CC[C@H](C)NC(=O)C[NH+]1CCN(CCC[NH2+]C)CC1 ZINC000568884454 291632376 /nfs/dbraw/zinc/63/23/76/291632376.db2.gz KQSDDAUDVVITMN-ZDUSSCGKSA-N 2 2 270.421 0.128 20 0 CCADLP C[C@@H]1[C@H](C)[N@H+](CCn2cc[nH+]c2)[C@@H](C)C(=O)N1C ZINC000639690800 375922234 /nfs/dbraw/zinc/92/22/34/375922234.db2.gz PATKZLJXLQDHLD-WOPDTQHZSA-N 2 2 250.346 0.823 20 0 CCADLP C[C@@H]1[C@H](C)[N@@H+](CCn2cc[nH+]c2)[C@@H](C)C(=O)N1C ZINC000639690800 375922240 /nfs/dbraw/zinc/92/22/40/375922240.db2.gz PATKZLJXLQDHLD-WOPDTQHZSA-N 2 2 250.346 0.823 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000639713844 375941489 /nfs/dbraw/zinc/94/14/89/375941489.db2.gz ODDDAPBCEPZTIE-LLVKDONJSA-N 2 2 289.339 0.882 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000639713844 375941496 /nfs/dbraw/zinc/94/14/96/375941496.db2.gz ODDDAPBCEPZTIE-LLVKDONJSA-N 2 2 289.339 0.882 20 0 CCADLP Cc1noc(CCC[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)n1 ZINC000639762828 375991459 /nfs/dbraw/zinc/99/14/59/375991459.db2.gz NXADVHQKNGSQEQ-AWEZNQCLSA-N 2 2 282.388 0.699 20 0 CCADLP Cc1noc(CCC[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)n1 ZINC000639762828 375991465 /nfs/dbraw/zinc/99/14/65/375991465.db2.gz NXADVHQKNGSQEQ-AWEZNQCLSA-N 2 2 282.388 0.699 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1c1cn[nH]c1 ZINC000639778057 376006326 /nfs/dbraw/zinc/00/63/26/376006326.db2.gz PGAKKJWDWFGRGF-STQMWFEESA-N 2 2 252.362 0.859 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1c1cn[nH]c1 ZINC000639778057 376006331 /nfs/dbraw/zinc/00/63/31/376006331.db2.gz PGAKKJWDWFGRGF-STQMWFEESA-N 2 2 252.362 0.859 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639778057 376006334 /nfs/dbraw/zinc/00/63/34/376006334.db2.gz PGAKKJWDWFGRGF-STQMWFEESA-N 2 2 252.362 0.859 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000639778057 376006342 /nfs/dbraw/zinc/00/63/42/376006342.db2.gz PGAKKJWDWFGRGF-STQMWFEESA-N 2 2 252.362 0.859 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000639762986 375989960 /nfs/dbraw/zinc/98/99/60/375989960.db2.gz PGCBRZYOUMFVQK-VXGBXAGGSA-N 2 2 278.343 0.799 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000639762986 375989963 /nfs/dbraw/zinc/98/99/63/375989963.db2.gz PGCBRZYOUMFVQK-VXGBXAGGSA-N 2 2 278.343 0.799 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000639854254 376078412 /nfs/dbraw/zinc/07/84/12/376078412.db2.gz FMBYIPIWFMZMAC-AWEZNQCLSA-N 2 2 290.371 0.345 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000639854254 376078418 /nfs/dbraw/zinc/07/84/18/376078418.db2.gz FMBYIPIWFMZMAC-AWEZNQCLSA-N 2 2 290.371 0.345 20 0 CCADLP COCC1(C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)CCC1 ZINC000640051023 376215407 /nfs/dbraw/zinc/21/54/07/376215407.db2.gz CSMLEGBPTYRALQ-UHFFFAOYSA-N 2 2 283.416 0.509 20 0 CCADLP C[N@H+](CCOC1CCC1)CC(=O)N1CC[NH+](C)CC1 ZINC000640051165 376215897 /nfs/dbraw/zinc/21/58/97/376215897.db2.gz JWMIALBAPNUBFZ-UHFFFAOYSA-N 2 2 269.389 0.261 20 0 CCADLP C[N@@H+](CCOC1CCC1)CC(=O)N1CC[NH+](C)CC1 ZINC000640051165 376215901 /nfs/dbraw/zinc/21/59/01/376215901.db2.gz JWMIALBAPNUBFZ-UHFFFAOYSA-N 2 2 269.389 0.261 20 0 CCADLP C[C@H]1OCC[C@H]1C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640060395 376222411 /nfs/dbraw/zinc/22/24/11/376222411.db2.gz IVDHXICZAROECX-OLZOCXBDSA-N 2 2 269.389 0.117 20 0 CCADLP C[C@H]1OCC[C@H]1C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640060395 376222416 /nfs/dbraw/zinc/22/24/16/376222416.db2.gz IVDHXICZAROECX-OLZOCXBDSA-N 2 2 269.389 0.117 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)CC1CC=CC1 ZINC000640062812 376224314 /nfs/dbraw/zinc/22/43/14/376224314.db2.gz PRVVBPRVUFDRDU-UHFFFAOYSA-N 2 2 251.374 0.658 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)CC1CC=CC1 ZINC000640062812 376224320 /nfs/dbraw/zinc/22/43/20/376224320.db2.gz PRVVBPRVUFDRDU-UHFFFAOYSA-N 2 2 251.374 0.658 20 0 CCADLP c1cc2c(cc1C[NH2+]C[C@H]1C[NH2+]CCO1)C[NH2+]CC2 ZINC000656786115 412851557 /nfs/dbraw/zinc/85/15/57/412851557.db2.gz KPFXIAAPYTYHEL-OAHLLOKOSA-N 3 2 261.369 0.410 20 0 CCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)CCc1c[nH+]cn1C ZINC000334284464 206308224 /nfs/dbraw/zinc/30/82/24/206308224.db2.gz BILCPNGFCMXBIY-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)CCc1c[nH+]cn1C ZINC000334284464 206308227 /nfs/dbraw/zinc/30/82/27/206308227.db2.gz BILCPNGFCMXBIY-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP CC[NH+](CC)Cc1cn(CC[NH+]2CCOCC2)nn1 ZINC000641032262 376688816 /nfs/dbraw/zinc/68/88/16/376688816.db2.gz CGGLBBXCBZFQAD-UHFFFAOYSA-N 2 2 267.377 0.452 20 0 CCADLP COc1cc[nH+]cc1Cn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000641169264 376838482 /nfs/dbraw/zinc/83/84/82/376838482.db2.gz VJVMXWMSBJKAEY-LLVKDONJSA-N 2 2 273.340 0.882 20 0 CCADLP CCCC[N@H+](C)CCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641328304 376997309 /nfs/dbraw/zinc/99/73/09/376997309.db2.gz HZYPHRTZRPZIGT-UHFFFAOYSA-N 2 2 288.417 0.534 20 0 CCADLP CCCC[N@@H+](C)CCNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641328304 376997322 /nfs/dbraw/zinc/99/73/22/376997322.db2.gz HZYPHRTZRPZIGT-UHFFFAOYSA-N 2 2 288.417 0.534 20 0 CCADLP C[C@H](CNc1cc[nH+]cc1F)N1CC[NH+](C)CC1 ZINC000641336261 377002681 /nfs/dbraw/zinc/00/26/81/377002681.db2.gz UNIYYHGNPKPCGJ-LLVKDONJSA-N 2 2 252.337 0.690 20 0 CCADLP CC(C)n1ccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)n1 ZINC000569213769 291658514 /nfs/dbraw/zinc/65/85/14/291658514.db2.gz BVWDQGJVVYKFTA-OAHLLOKOSA-N 2 2 295.431 0.162 20 0 CCADLP C[C@H](CS(C)(=O)=O)[NH2+]CCCCn1cc[nH+]c1 ZINC000081900995 284613481 /nfs/dbraw/zinc/61/34/81/284613481.db2.gz OCAGTAFYTVCAJW-LLVKDONJSA-N 2 2 259.375 0.686 20 0 CCADLP CCN(CCC[NH+](C)C)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641450033 377132572 /nfs/dbraw/zinc/13/25/72/377132572.db2.gz RMFKCIYXMMEMJS-UHFFFAOYSA-N 2 2 288.417 0.487 20 0 CCADLP CNS(=O)(=O)CCC[N@@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000641805228 377476745 /nfs/dbraw/zinc/47/67/45/377476745.db2.gz DTBKQEFDQLAKCU-TUAOUCFPSA-N 2 2 277.434 0.373 20 0 CCADLP CNS(=O)(=O)CCC[N@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000641805228 377476751 /nfs/dbraw/zinc/47/67/51/377476751.db2.gz DTBKQEFDQLAKCU-TUAOUCFPSA-N 2 2 277.434 0.373 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@@H](CC)[NH+]1CCCC1 ZINC000422967082 249011801 /nfs/dbraw/zinc/01/18/01/249011801.db2.gz SFMODGMBQSUTBU-MGPQQGTHSA-N 2 2 283.416 0.744 20 0 CCADLP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000430678411 249022459 /nfs/dbraw/zinc/02/24/59/249022459.db2.gz JCQXKXIKJMFZSN-WDEREUQCSA-N 2 2 264.329 0.104 20 0 CCADLP Cc1cc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)nc(C2CC2)[nH+]1 ZINC000515072159 249119739 /nfs/dbraw/zinc/11/97/39/249119739.db2.gz HQENDGCIEYCHCB-RYUDHWBXSA-N 2 2 287.367 0.411 20 0 CCADLP Cc1ccc(CCNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])o1 ZINC000515220750 249123873 /nfs/dbraw/zinc/12/38/73/249123873.db2.gz ALXWJBLJHVTHQJ-GFCCVEGCSA-N 2 2 280.372 0.415 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCC1=CC[NH2+]CC1 ZINC000514590290 249091604 /nfs/dbraw/zinc/09/16/04/249091604.db2.gz YNPDZLCGTVCMSY-ZDUSSCGKSA-N 2 2 296.415 0.316 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CC23CC[NH2+]CC3)CCO1 ZINC000514863982 249108693 /nfs/dbraw/zinc/10/86/93/249108693.db2.gz YWFYATARNFLNAR-OLZOCXBDSA-N 2 2 281.400 0.213 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CC23CC[NH2+]CC3)CCO1 ZINC000514863982 249108696 /nfs/dbraw/zinc/10/86/96/249108696.db2.gz YWFYATARNFLNAR-OLZOCXBDSA-N 2 2 281.400 0.213 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000516334213 249162474 /nfs/dbraw/zinc/16/24/74/249162474.db2.gz BPCBJJJYUYXHJI-KBPBESRZSA-N 2 2 282.432 0.175 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000516334213 249162477 /nfs/dbraw/zinc/16/24/77/249162477.db2.gz BPCBJJJYUYXHJI-KBPBESRZSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@@H]1C[NH2+][C@@H](C)CN1c1cc[nH+]c(N2CCOCC2)n1 ZINC000515622857 249139731 /nfs/dbraw/zinc/13/97/31/249139731.db2.gz KOWBHVBXSXPEON-NWDGAFQWSA-N 2 2 277.372 0.500 20 0 CCADLP C[C@@H](CC(=O)NCc1c[nH+]c(N(C)C)n1C)n1cc[nH+]c1 ZINC000515854104 249146004 /nfs/dbraw/zinc/14/60/04/249146004.db2.gz PPYAIDIVOWCKLG-NSHDSACASA-N 2 2 290.371 0.950 20 0 CCADLP C[C@@H]1C[C@H](CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CCO1 ZINC000516916528 249188414 /nfs/dbraw/zinc/18/84/14/249188414.db2.gz OZIAVYFIDQIAKY-UPJWGTAASA-N 2 2 284.404 0.086 20 0 CCADLP C[C@@H]1C[C@H](CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CCO1 ZINC000516916528 249188416 /nfs/dbraw/zinc/18/84/16/249188416.db2.gz OZIAVYFIDQIAKY-UPJWGTAASA-N 2 2 284.404 0.086 20 0 CCADLP C[C@H](c1nnnn1C)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000516927888 249189899 /nfs/dbraw/zinc/18/98/99/249189899.db2.gz RLHPFGNFJQUSQD-SNVBAGLBSA-N 2 2 268.365 0.101 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000517224773 249208348 /nfs/dbraw/zinc/20/83/48/249208348.db2.gz SCMOUFPLIGVDDJ-YPMHNXCESA-N 2 2 289.383 0.651 20 0 CCADLP COc1cc2c(cc1C[N@H+](C)C[C@@H](O)C[NH3+])O[C@H](C)C2 ZINC000516957983 249193111 /nfs/dbraw/zinc/19/31/11/249193111.db2.gz ORPLWIJVGMOHTF-MFKMUULPSA-N 2 2 280.368 0.770 20 0 CCADLP COc1cc2c(cc1C[N@@H+](C)C[C@@H](O)C[NH3+])O[C@H](C)C2 ZINC000516957983 249193114 /nfs/dbraw/zinc/19/31/14/249193114.db2.gz ORPLWIJVGMOHTF-MFKMUULPSA-N 2 2 280.368 0.770 20 0 CCADLP CC(C)[C@@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1[nH]cc[nH+]1 ZINC000517234708 249210020 /nfs/dbraw/zinc/21/00/20/249210020.db2.gz QJBWZAOYUKZNAO-CMPLNLGQSA-N 2 2 293.371 0.091 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC000517757519 249230959 /nfs/dbraw/zinc/23/09/59/249230959.db2.gz SDQMPSQDFJXGBB-MGPQQGTHSA-N 3 2 255.406 0.693 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)C1 ZINC000517757519 249230962 /nfs/dbraw/zinc/23/09/62/249230962.db2.gz SDQMPSQDFJXGBB-MGPQQGTHSA-N 3 2 255.406 0.693 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3cc(F)ccc3F)CCN2C1=O ZINC000574651571 335037554 /nfs/dbraw/zinc/03/75/54/335037554.db2.gz OFOPWSAETFJMTF-WCQYABFASA-N 2 2 281.306 0.709 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3cc(F)ccc3F)CCN2C1=O ZINC000574651571 335037555 /nfs/dbraw/zinc/03/75/55/335037555.db2.gz OFOPWSAETFJMTF-WCQYABFASA-N 2 2 281.306 0.709 20 0 CCADLP Cc1nc(N2CC[C@H]3CC[NH2+][C@H]3C2)nc(N(C)C)[nH+]1 ZINC000643031145 377695931 /nfs/dbraw/zinc/69/59/31/377695931.db2.gz HWVDHFLSLWNEIF-MNOVXSKESA-N 2 2 262.361 0.434 20 0 CCADLP CC(C)c1nc(N(C)C2C[NH2+]C2)nc(N(C)C)[nH+]1 ZINC000643041958 377704817 /nfs/dbraw/zinc/70/48/17/377704817.db2.gz ZGKZTOCANKDADM-UHFFFAOYSA-N 2 2 250.350 0.469 20 0 CCADLP CCOc1cccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)n1 ZINC000344893200 535457724 /nfs/dbraw/zinc/45/77/24/535457724.db2.gz SRZZGGGFETVXPX-CQSZACIVSA-N 2 2 267.373 0.883 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCCCF)C[C@H](C)O1 ZINC000574750767 335044394 /nfs/dbraw/zinc/04/43/94/335044394.db2.gz CDWOKKRTQLXQKE-FRRDWIJNSA-N 2 2 262.369 0.796 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCCCF)C[C@H](C)O1 ZINC000574750767 335044395 /nfs/dbraw/zinc/04/43/95/335044395.db2.gz CDWOKKRTQLXQKE-FRRDWIJNSA-N 2 2 262.369 0.796 20 0 CCADLP C[N@H+]1C[C@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C[C@H]2C1 ZINC000279255196 194353590 /nfs/dbraw/zinc/35/35/90/194353590.db2.gz WCELKUJPDOHHFE-BETUJISGSA-N 2 2 297.362 0.901 20 0 CCADLP C[N@@H+]1C[C@H]2CN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C[C@H]2C1 ZINC000279255196 194353591 /nfs/dbraw/zinc/35/35/91/194353591.db2.gz WCELKUJPDOHHFE-BETUJISGSA-N 2 2 297.362 0.901 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000334761107 207033258 /nfs/dbraw/zinc/03/32/58/207033258.db2.gz INXBBWVQGGMAJS-LLVKDONJSA-N 2 2 262.357 0.654 20 0 CCADLP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1CC1CC1 ZINC000571073281 291789294 /nfs/dbraw/zinc/78/92/94/291789294.db2.gz ORBALNOHBYOSFP-NWDGAFQWSA-N 2 2 264.377 0.690 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657308984 412956648 /nfs/dbraw/zinc/95/66/48/412956648.db2.gz FGMRUQMOLNQNME-JTQLQIEISA-N 2 2 263.349 0.803 20 0 CCADLP O=C(C[NH2+]Cc1c[nH+]c2n1CCC2)NCC(F)(F)F ZINC000657314702 412957700 /nfs/dbraw/zinc/95/77/00/412957700.db2.gz ASUAQNXLGPDNET-UHFFFAOYSA-N 2 2 276.262 0.597 20 0 CCADLP COC[C@@H](O)C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000571158270 291794537 /nfs/dbraw/zinc/79/45/37/291794537.db2.gz BMAFNLYWDBZPPH-AWEZNQCLSA-N 2 2 261.325 0.969 20 0 CCADLP C[C@H]1CN(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CC[NH2+]1 ZINC000334966175 207379478 /nfs/dbraw/zinc/37/94/78/207379478.db2.gz GGJRTPMFRWHZEV-UWVGGRQHSA-N 2 2 276.331 0.235 20 0 CCADLP COCCN1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC000449384574 532981251 /nfs/dbraw/zinc/98/12/51/532981251.db2.gz BXDPLCKPCCUEIT-HUUCEWRRSA-N 2 2 285.432 0.144 20 0 CCADLP COCCN1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)C1 ZINC000449384574 532981255 /nfs/dbraw/zinc/98/12/55/532981255.db2.gz BXDPLCKPCCUEIT-HUUCEWRRSA-N 2 2 285.432 0.144 20 0 CCADLP COCC[N@@H+]1CC[C@H]([NH2+]C2CC(CC(=O)OC)C2)C1 ZINC000424311517 532984675 /nfs/dbraw/zinc/98/46/75/532984675.db2.gz KVPAPERHOYYMRN-CPCZMJQVSA-N 2 2 270.373 0.638 20 0 CCADLP COCC[N@H+]1CC[C@H]([NH2+]C2CC(CC(=O)OC)C2)C1 ZINC000424311517 532984680 /nfs/dbraw/zinc/98/46/80/532984680.db2.gz KVPAPERHOYYMRN-CPCZMJQVSA-N 2 2 270.373 0.638 20 0 CCADLP c1[nH+]c2n(c1C[NH2+]CCN1CCSCC1)CCC2 ZINC000657359701 412970470 /nfs/dbraw/zinc/97/04/70/412970470.db2.gz NXTGBIFCADKILL-UHFFFAOYSA-N 2 2 266.414 0.968 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657360816 412975081 /nfs/dbraw/zinc/97/50/81/412975081.db2.gz UZODHGWAVCLDDZ-NSHDSACASA-N 2 2 294.380 0.790 20 0 CCADLP CC[C@@H]1C[C@@H]([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)CO1 ZINC000657362777 412974223 /nfs/dbraw/zinc/97/42/23/412974223.db2.gz IAYVFVUOAWGTOC-ARFHVFGLSA-N 2 2 297.443 0.550 20 0 CCADLP C[C@]1(F)C[NH2+]CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000335356357 208265292 /nfs/dbraw/zinc/26/52/92/208265292.db2.gz ACWZGRABFKJZMU-LBPRGKRZSA-N 2 2 254.309 0.433 20 0 CCADLP C[C@H](CC(=O)NC[C@H](C)C[NH+]1CCOCC1)n1cc[nH+]c1 ZINC000572044945 291854860 /nfs/dbraw/zinc/85/48/60/291854860.db2.gz GCKKXVBJLSWANN-UONOGXRCSA-N 2 2 294.399 0.919 20 0 CCADLP CCCCNc1cc(NC[C@](C)(O)C[NH+](C)C)nc(N)[nH+]1 ZINC000281134323 195118064 /nfs/dbraw/zinc/11/80/64/195118064.db2.gz JBRJQAIBIZSBLO-AWEZNQCLSA-N 2 2 296.419 0.995 20 0 CCADLP CCCCNc1cc(NC[C@](C)(O)C[NH+](C)C)[nH+]c(N)n1 ZINC000281134323 195118066 /nfs/dbraw/zinc/11/80/66/195118066.db2.gz JBRJQAIBIZSBLO-AWEZNQCLSA-N 2 2 296.419 0.995 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N(C)C1CC([NH3+])C1 ZINC000418220914 533073823 /nfs/dbraw/zinc/07/38/23/533073823.db2.gz VDXFOOBCOOFQKE-UHFFFAOYSA-N 2 2 264.329 0.721 20 0 CCADLP Cc1cc[nH+]cc1CCC[NH2+]CCS(C)(=O)=O ZINC000289353102 197308354 /nfs/dbraw/zinc/30/83/54/197308354.db2.gz XSVQISKIZJBNIP-UHFFFAOYSA-N 2 2 256.371 0.957 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](O)[C@H](C)C2)CC1 ZINC000249602116 285132561 /nfs/dbraw/zinc/13/25/61/285132561.db2.gz YPNJOIWVFYKZHN-HZSPNIEDSA-N 2 2 283.416 0.242 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](O)[C@H](C)C2)CC1 ZINC000249602116 285132563 /nfs/dbraw/zinc/13/25/63/285132563.db2.gz YPNJOIWVFYKZHN-HZSPNIEDSA-N 2 2 283.416 0.242 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1cc(F)ccc1F ZINC000258851289 285153045 /nfs/dbraw/zinc/15/30/45/285153045.db2.gz GBTGPGRKMRFPOS-GFCCVEGCSA-N 2 2 255.312 0.958 20 0 CCADLP OC[C@@H](C[NH2+]Cc1c[nH+]c2n1CCC2)[C@H]1CCOC1 ZINC000657454769 412995550 /nfs/dbraw/zinc/99/55/50/412995550.db2.gz PCGOBPAHAIDORB-NWDGAFQWSA-N 2 2 265.357 0.564 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000305100393 285169418 /nfs/dbraw/zinc/16/94/18/285169418.db2.gz AXMYSWLPWFXCDY-CQSZACIVSA-N 3 2 255.406 0.373 20 0 CCADLP CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657480363 413002876 /nfs/dbraw/zinc/00/28/76/413002876.db2.gz WESKGGCFDLVSOC-DGCLKSJQSA-N 2 2 265.357 0.970 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@H]2CC(=O)N(C(C)C)C2)n1C ZINC000572618198 291892285 /nfs/dbraw/zinc/89/22/85/291892285.db2.gz UYWXAABRHLGAKE-NSHDSACASA-N 2 2 250.346 0.827 20 0 CCADLP OC[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)[C@H]1CCCOC1 ZINC000657497101 413009956 /nfs/dbraw/zinc/00/99/56/413009956.db2.gz ULCFMGSWTQECLH-AAEUAGOBSA-N 2 2 265.357 0.706 20 0 CCADLP CO[C@H](C[NH2+]Cc1c[nH+]c(N(C)C)n1C)[C@H]1CCOC1 ZINC000657540526 413022572 /nfs/dbraw/zinc/02/25/72/413022572.db2.gz HXFNSAMJUYCZTK-WCQYABFASA-N 2 2 282.388 0.627 20 0 CCADLP CCCn1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cn1 ZINC000520839541 285277374 /nfs/dbraw/zinc/27/73/74/285277374.db2.gz INTRBBUYCWUGRO-CHWSQXEVSA-N 2 2 277.372 0.037 20 0 CCADLP CCCn1cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cn1 ZINC000520839541 285277376 /nfs/dbraw/zinc/27/73/76/285277376.db2.gz INTRBBUYCWUGRO-CHWSQXEVSA-N 2 2 277.372 0.037 20 0 CCADLP CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000657607620 413037544 /nfs/dbraw/zinc/03/75/44/413037544.db2.gz ZUKHGHCKZPPXER-WCQYABFASA-N 2 2 299.396 0.049 20 0 CCADLP CC[N@H+](CCO)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000186574769 388842842 /nfs/dbraw/zinc/84/28/42/388842842.db2.gz RCTOGCCIAQGDQL-MJBXVCDLSA-N 2 2 268.401 0.848 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000186574769 388842845 /nfs/dbraw/zinc/84/28/45/388842845.db2.gz RCTOGCCIAQGDQL-MJBXVCDLSA-N 2 2 268.401 0.848 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000186809823 388853829 /nfs/dbraw/zinc/85/38/29/388853829.db2.gz QTOMRGQORJLVBZ-TUVASFSCSA-N 2 2 297.443 0.773 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)NCc1c[nH+]cn1C ZINC000290633784 388909239 /nfs/dbraw/zinc/90/92/39/388909239.db2.gz DCDILHAZNNYOEB-SNVBAGLBSA-N 2 2 253.350 0.560 20 0 CCADLP C[C@H](NC(=O)c1coc(C[NH3+])c1)[C@H](C)[NH+]1CCOCC1 ZINC000188181539 388916894 /nfs/dbraw/zinc/91/68/94/388916894.db2.gz MXQXLIYCOGDERG-QWRGUYRKSA-N 2 2 281.356 0.577 20 0 CCADLP COCCCN(C(=O)Cn1cc[nH+]c1)C1CC[NH+](C)CC1 ZINC000291825820 388938863 /nfs/dbraw/zinc/93/88/63/388938863.db2.gz FQEOCGXETMADRL-UHFFFAOYSA-N 2 2 294.399 0.842 20 0 CCADLP CC[NH+](CC)CCNC(=O)NCc1c[nH+]cn1C ZINC000292299960 388947982 /nfs/dbraw/zinc/94/79/82/388947982.db2.gz HTCAMECRBQUABN-UHFFFAOYSA-N 2 2 253.350 0.561 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000293001477 388976089 /nfs/dbraw/zinc/97/60/89/388976089.db2.gz LCCVRKGERKGWKS-GFCCVEGCSA-N 2 2 278.356 0.984 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000293001477 388976091 /nfs/dbraw/zinc/97/60/91/388976091.db2.gz LCCVRKGERKGWKS-GFCCVEGCSA-N 2 2 278.356 0.984 20 0 CCADLP Cc1cc(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)cc[nH+]1 ZINC000073609943 388978259 /nfs/dbraw/zinc/97/82/59/388978259.db2.gz RNBFJIQGQGEUJH-GFCCVEGCSA-N 2 2 290.367 0.739 20 0 CCADLP O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CSC[NH2+]1 ZINC000295278014 388998848 /nfs/dbraw/zinc/99/88/48/388998848.db2.gz WHAPJRNHBRTVLF-LBPRGKRZSA-N 2 2 263.366 0.933 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000072858335 388971399 /nfs/dbraw/zinc/97/13/99/388971399.db2.gz OVGVRORWZHUBFZ-LLVKDONJSA-N 2 2 270.377 0.106 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000072858335 388971402 /nfs/dbraw/zinc/97/14/02/388971402.db2.gz OVGVRORWZHUBFZ-LLVKDONJSA-N 2 2 270.377 0.106 20 0 CCADLP CCNC(=O)NC(=O)C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000072858335 388971404 /nfs/dbraw/zinc/97/14/04/388971404.db2.gz OVGVRORWZHUBFZ-LLVKDONJSA-N 2 2 270.377 0.106 20 0 CCADLP CCNC(=O)NC(=O)C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000072858335 388971406 /nfs/dbraw/zinc/97/14/06/388971406.db2.gz OVGVRORWZHUBFZ-LLVKDONJSA-N 2 2 270.377 0.106 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCCC[NH+]1CCOCC1 ZINC000298564205 389031146 /nfs/dbraw/zinc/03/11/46/389031146.db2.gz WBJRPUWOCFBYGQ-ZDUSSCGKSA-N 2 2 295.387 0.293 20 0 CCADLP CCOCCNC(=O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000084695939 389004983 /nfs/dbraw/zinc/00/49/83/389004983.db2.gz VABXIQAYIPQGOZ-KGLIPLIRSA-N 2 2 285.432 0.801 20 0 CCADLP CCOCCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000084695939 389004988 /nfs/dbraw/zinc/00/49/88/389004988.db2.gz VABXIQAYIPQGOZ-KGLIPLIRSA-N 2 2 285.432 0.801 20 0 CCADLP CCOCCNC(=O)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000084695939 389004991 /nfs/dbraw/zinc/00/49/91/389004991.db2.gz VABXIQAYIPQGOZ-KGLIPLIRSA-N 2 2 285.432 0.801 20 0 CCADLP CCOCCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000084695939 389004995 /nfs/dbraw/zinc/00/49/95/389004995.db2.gz VABXIQAYIPQGOZ-KGLIPLIRSA-N 2 2 285.432 0.801 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000084696348 389005253 /nfs/dbraw/zinc/00/52/53/389005253.db2.gz VFFTUVAETLKNSJ-CQSZACIVSA-N 2 2 285.432 0.803 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000084696348 389005254 /nfs/dbraw/zinc/00/52/54/389005254.db2.gz VFFTUVAETLKNSJ-CQSZACIVSA-N 2 2 285.432 0.803 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2conc2C)CC1 ZINC000295409306 389007339 /nfs/dbraw/zinc/00/73/39/389007339.db2.gz RNLREEHOOAIZEC-UHFFFAOYSA-N 2 2 294.399 0.969 20 0 CCADLP CNC(=O)C[C@H](C)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000298430726 389018742 /nfs/dbraw/zinc/01/87/42/389018742.db2.gz WHZZUMOIPKLMEA-NSHDSACASA-N 2 2 260.341 0.991 20 0 CCADLP COCC[N@H+](C)CCCNc1[nH+]cnc2c1cnn2C ZINC000192810189 389054744 /nfs/dbraw/zinc/05/47/44/389054744.db2.gz NEQPRDSHLXHVQU-UHFFFAOYSA-N 2 2 278.360 0.744 20 0 CCADLP COCC[N@@H+](C)CCCNc1[nH+]cnc2c1cnn2C ZINC000192810189 389054750 /nfs/dbraw/zinc/05/47/50/389054750.db2.gz NEQPRDSHLXHVQU-UHFFFAOYSA-N 2 2 278.360 0.744 20 0 CCADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1CC[NH+]1CCOC[C@@H]1C ZINC000192813338 389054778 /nfs/dbraw/zinc/05/47/78/389054778.db2.gz TWPSUKFFIAAPLY-CABCVRRESA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1CC[NH+]1CCOC[C@@H]1C ZINC000192813338 389054780 /nfs/dbraw/zinc/05/47/80/389054780.db2.gz TWPSUKFFIAAPLY-CABCVRRESA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1C[NH+](CC(C)(C)O)CCN1CC[N@@H+]1CCOC[C@@H]1C ZINC000192813338 389054785 /nfs/dbraw/zinc/05/47/85/389054785.db2.gz TWPSUKFFIAAPLY-CABCVRRESA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1C[NH+](CC(C)(C)O)CCN1CC[N@H+]1CCOC[C@@H]1C ZINC000192813338 389054788 /nfs/dbraw/zinc/05/47/88/389054788.db2.gz TWPSUKFFIAAPLY-CABCVRRESA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)CC[NH+]2CCOC[C@@H]2C)C[C@H](C)O1 ZINC000192826583 389056245 /nfs/dbraw/zinc/05/62/45/389056245.db2.gz NSQHHIFNJSEDRD-HRCADAONSA-N 2 2 299.459 0.748 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)CC[NH+]2CCOC[C@@H]2C)C[C@H](C)O1 ZINC000192826583 389056250 /nfs/dbraw/zinc/05/62/50/389056250.db2.gz NSQHHIFNJSEDRD-HRCADAONSA-N 2 2 299.459 0.748 20 0 CCADLP C[C@@H]1C[NH+](CCN(C)CC[N@@H+]2CCOC[C@@H]2C)C[C@H](C)O1 ZINC000192826583 389056253 /nfs/dbraw/zinc/05/62/53/389056253.db2.gz NSQHHIFNJSEDRD-HRCADAONSA-N 2 2 299.459 0.748 20 0 CCADLP C[C@@H]1C[NH+](CCN(C)CC[N@H+]2CCOC[C@@H]2C)C[C@H](C)O1 ZINC000192826583 389056256 /nfs/dbraw/zinc/05/62/56/389056256.db2.gz NSQHHIFNJSEDRD-HRCADAONSA-N 2 2 299.459 0.748 20 0 CCADLP Cc1cc[nH+]c(N2CCN(C(=O)C[NH+](C)C)CC2)c1 ZINC000301618784 389056369 /nfs/dbraw/zinc/05/63/69/389056369.db2.gz BOAUTMYMFIFDQW-UHFFFAOYSA-N 2 2 262.357 0.600 20 0 CCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C[NH+](C)C)C[C@H](C)O1 ZINC000193160188 389062390 /nfs/dbraw/zinc/06/23/90/389062390.db2.gz GEZOCPXREDMQPV-TXEJJXNPSA-N 2 2 271.405 0.552 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)NCC[NH+]1CCC1)c1ccco1 ZINC000337626487 389064932 /nfs/dbraw/zinc/06/49/32/389064932.db2.gz VNYSBXDBUNBSQA-GFCCVEGCSA-N 2 2 280.372 0.887 20 0 CCADLP C[NH+]1CCC(C)(CNC(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000338177908 389085030 /nfs/dbraw/zinc/08/50/30/389085030.db2.gz LOPIXKPXUVMEQE-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP CNC(=O)C[C@@H](C)[NH2+][C@H](C)CC[NH+]1CCOCC1 ZINC000358172479 389143750 /nfs/dbraw/zinc/14/37/50/389143750.db2.gz STXUINZLUBJLGW-VXGBXAGGSA-N 2 2 257.378 0.211 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(O)CC[NH+](C)C2)[C@@H](C)C1 ZINC000358223121 389144674 /nfs/dbraw/zinc/14/46/74/389144674.db2.gz ABJKHGMVYRTYAF-MELADBBJSA-N 3 2 255.406 0.373 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(O)CC[NH+](C)C2)[C@@H](C)C1 ZINC000358223121 389144676 /nfs/dbraw/zinc/14/46/76/389144676.db2.gz ABJKHGMVYRTYAF-MELADBBJSA-N 3 2 255.406 0.373 20 0 CCADLP CC[NH+]1CC[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)[C@@H](C)C1 ZINC000358223121 389144679 /nfs/dbraw/zinc/14/46/79/389144679.db2.gz ABJKHGMVYRTYAF-MELADBBJSA-N 3 2 255.406 0.373 20 0 CCADLP CC[NH+]1CC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)[C@@H](C)C1 ZINC000358223121 389144681 /nfs/dbraw/zinc/14/46/81/389144681.db2.gz ABJKHGMVYRTYAF-MELADBBJSA-N 3 2 255.406 0.373 20 0 CCADLP CC[N@@H+]1CCCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000355590965 389097841 /nfs/dbraw/zinc/09/78/41/389097841.db2.gz GLHIVJOYPHVGDZ-UHFFFAOYSA-N 2 2 295.427 0.796 20 0 CCADLP CC[N@H+]1CCCN(C(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000355590965 389097844 /nfs/dbraw/zinc/09/78/44/389097844.db2.gz GLHIVJOYPHVGDZ-UHFFFAOYSA-N 2 2 295.427 0.796 20 0 CCADLP CC(C)OC(=O)[C@@H](C)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338271564 389102206 /nfs/dbraw/zinc/10/22/06/389102206.db2.gz NEYIMYKFQNUTDF-CYBMUJFWSA-N 2 2 299.415 0.422 20 0 CCADLP CC(C)OC(=O)[C@@H](C)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338271564 389102209 /nfs/dbraw/zinc/10/22/09/389102209.db2.gz NEYIMYKFQNUTDF-CYBMUJFWSA-N 2 2 299.415 0.422 20 0 CCADLP CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000311565782 389103446 /nfs/dbraw/zinc/10/34/46/389103446.db2.gz DPCUWXKQUKXNAM-OLZOCXBDSA-N 2 2 289.445 0.342 20 0 CCADLP CN(C)S(=O)(=O)CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000311565782 389103447 /nfs/dbraw/zinc/10/34/47/389103447.db2.gz DPCUWXKQUKXNAM-OLZOCXBDSA-N 2 2 289.445 0.342 20 0 CCADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@@H](O)C(F)(F)F ZINC000338283639 389104938 /nfs/dbraw/zinc/10/49/38/389104938.db2.gz ROPQTDXJCSVOKG-SNVBAGLBSA-N 2 2 297.321 0.006 20 0 CCADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C[C@@H](O)C(F)(F)F ZINC000338283639 389104940 /nfs/dbraw/zinc/10/49/40/389104940.db2.gz ROPQTDXJCSVOKG-SNVBAGLBSA-N 2 2 297.321 0.006 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000311944495 389106043 /nfs/dbraw/zinc/10/60/43/389106043.db2.gz KDDOPLAGDPFDQF-JTQLQIEISA-N 2 2 284.322 0.688 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000311944495 389106045 /nfs/dbraw/zinc/10/60/45/389106045.db2.gz KDDOPLAGDPFDQF-JTQLQIEISA-N 2 2 284.322 0.688 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc(C[NH+](C)C)on1 ZINC000355697577 389113232 /nfs/dbraw/zinc/11/32/32/389113232.db2.gz CQSQLJUGHNSAOS-NSHDSACASA-N 2 2 296.371 0.187 20 0 CCADLP CCCN(CCC)C(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313387514 389113960 /nfs/dbraw/zinc/11/39/60/389113960.db2.gz LELZWDISYHWAIS-CYBMUJFWSA-N 2 2 271.405 0.685 20 0 CCADLP CCCN(CCC)C(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313387514 389113962 /nfs/dbraw/zinc/11/39/62/389113962.db2.gz LELZWDISYHWAIS-CYBMUJFWSA-N 2 2 271.405 0.685 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C)C1CC1 ZINC000322355325 389122094 /nfs/dbraw/zinc/12/20/94/389122094.db2.gz GPKDSSHOBWGVFK-FBAPMCOASA-N 3 2 267.417 0.656 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2C)C1CC1 ZINC000322355325 389122096 /nfs/dbraw/zinc/12/20/96/389122096.db2.gz GPKDSSHOBWGVFK-FBAPMCOASA-N 3 2 267.417 0.656 20 0 CCADLP C[NH+](C[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000322355325 389122097 /nfs/dbraw/zinc/12/20/97/389122097.db2.gz GPKDSSHOBWGVFK-FBAPMCOASA-N 3 2 267.417 0.656 20 0 CCADLP C[NH+](C[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000322355325 389122100 /nfs/dbraw/zinc/12/21/00/389122100.db2.gz GPKDSSHOBWGVFK-FBAPMCOASA-N 3 2 267.417 0.656 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CC2(C1)CCCOC2)C1CC1 ZINC000357442778 389134973 /nfs/dbraw/zinc/13/49/73/389134973.db2.gz UXHOBQITQLIGTM-CYBMUJFWSA-N 2 2 254.374 0.554 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CC2(C1)CCCOC2)C1CC1 ZINC000357442778 389134975 /nfs/dbraw/zinc/13/49/75/389134975.db2.gz UXHOBQITQLIGTM-CYBMUJFWSA-N 2 2 254.374 0.554 20 0 CCADLP C[C@H](C(=O)N1CC[NH+](CCO)CC1)[C@H]([NH3+])c1ccccc1 ZINC000130138085 389199499 /nfs/dbraw/zinc/19/94/99/389199499.db2.gz CLMJYAQQPZIWGY-ZFWWWQNUSA-N 2 2 291.395 0.459 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCO[C@@]2(CCOC2)C1 ZINC000248919723 389251362 /nfs/dbraw/zinc/25/13/62/389251362.db2.gz DVESLBSKTDWVFH-KBPBESRZSA-N 2 2 254.374 0.962 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCO[C@@]2(CCOC2)C1 ZINC000248919723 389251364 /nfs/dbraw/zinc/25/13/64/389251364.db2.gz DVESLBSKTDWVFH-KBPBESRZSA-N 2 2 254.374 0.962 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000248919723 389251368 /nfs/dbraw/zinc/25/13/68/389251368.db2.gz DVESLBSKTDWVFH-KBPBESRZSA-N 2 2 254.374 0.962 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000248919723 389251369 /nfs/dbraw/zinc/25/13/69/389251369.db2.gz DVESLBSKTDWVFH-KBPBESRZSA-N 2 2 254.374 0.962 20 0 CCADLP CN(C)C(=O)N1CCC([NH2+][C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000135124921 389253838 /nfs/dbraw/zinc/25/38/38/389253838.db2.gz MHHDDOJXVBZWKX-ZDUSSCGKSA-N 2 2 280.416 0.959 20 0 CCADLP CN(C)C(=O)N1CCC([NH2+][C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000135124921 389253840 /nfs/dbraw/zinc/25/38/40/389253840.db2.gz MHHDDOJXVBZWKX-ZDUSSCGKSA-N 2 2 280.416 0.959 20 0 CCADLP C[NH+](C)CCCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000364397856 389261539 /nfs/dbraw/zinc/26/15/39/389261539.db2.gz ASRXQRRBCWTDOR-CQSZACIVSA-N 2 2 283.416 0.555 20 0 CCADLP C[NH+](C)CCCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000364397856 389261540 /nfs/dbraw/zinc/26/15/40/389261540.db2.gz ASRXQRRBCWTDOR-CQSZACIVSA-N 2 2 283.416 0.555 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H](O)COC[C@H]1CCCO1 ZINC000245608259 389214134 /nfs/dbraw/zinc/21/41/34/389214134.db2.gz KSCSNFXIWHMBIM-HUUCEWRRSA-N 2 2 297.399 0.762 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H](O)COC[C@H]1CCCO1 ZINC000245608259 389214137 /nfs/dbraw/zinc/21/41/37/389214137.db2.gz KSCSNFXIWHMBIM-HUUCEWRRSA-N 2 2 297.399 0.762 20 0 CCADLP C[C@@H]1CC[N@H+](CCCC(=O)NC(N)=O)C[C@H]1n1cc[nH+]c1 ZINC000245610954 389214457 /nfs/dbraw/zinc/21/44/57/389214457.db2.gz OAHZMYMUPHXXDL-VXGBXAGGSA-N 2 2 293.371 0.741 20 0 CCADLP C[C@@H]1CC[N@@H+](CCCC(=O)NC(N)=O)C[C@H]1n1cc[nH+]c1 ZINC000245610954 389214460 /nfs/dbraw/zinc/21/44/60/389214460.db2.gz OAHZMYMUPHXXDL-VXGBXAGGSA-N 2 2 293.371 0.741 20 0 CCADLP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@H](C)[NH+]1CCOCC1 ZINC000264282849 389318152 /nfs/dbraw/zinc/31/81/52/389318152.db2.gz PEXRAQAVZRQNAY-OLZOCXBDSA-N 2 2 280.372 0.499 20 0 CCADLP C[C@@H](NC(=O)NCc1[nH+]ccn1C)[C@@H](C)[NH+]1CCOCC1 ZINC000264332876 389321913 /nfs/dbraw/zinc/32/19/13/389321913.db2.gz XOPGSZALGRSGPV-VXGBXAGGSA-N 2 2 295.387 0.329 20 0 CCADLP CNC(=O)NC(=O)CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156381846 389325277 /nfs/dbraw/zinc/32/52/77/389325277.db2.gz QQOFXPQPHURKRQ-GFCCVEGCSA-N 2 2 292.339 0.380 20 0 CCADLP CNC(=O)NC(=O)CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156381846 389325278 /nfs/dbraw/zinc/32/52/78/389325278.db2.gz QQOFXPQPHURKRQ-GFCCVEGCSA-N 2 2 292.339 0.380 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCN(C)C[C@H]1CCC[NH+]1C ZINC000420995666 389343809 /nfs/dbraw/zinc/34/38/09/389343809.db2.gz IMWLCFOTAFESIF-UONOGXRCSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@H]1COCC[N@H+]1CCN(C)C[C@H]1CCC[NH+]1C ZINC000420995666 389343811 /nfs/dbraw/zinc/34/38/11/389343811.db2.gz IMWLCFOTAFESIF-UONOGXRCSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@H]1COCC[NH+]1CCN(C)C[C@H]1CCC[N@@H+]1C ZINC000420995666 389343814 /nfs/dbraw/zinc/34/38/14/389343814.db2.gz IMWLCFOTAFESIF-UONOGXRCSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@H]1COCC[NH+]1CCN(C)C[C@H]1CCC[N@H+]1C ZINC000420995666 389343821 /nfs/dbraw/zinc/34/38/21/389343821.db2.gz IMWLCFOTAFESIF-UONOGXRCSA-N 2 2 255.406 0.733 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000367295554 389329785 /nfs/dbraw/zinc/32/97/85/389329785.db2.gz LVIDDBPNNGQXLU-CABCVRRESA-N 2 2 295.427 0.970 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000367295554 389329786 /nfs/dbraw/zinc/32/97/86/389329786.db2.gz LVIDDBPNNGQXLU-CABCVRRESA-N 2 2 295.427 0.970 20 0 CCADLP CN(C)C(=O)CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000264619231 389339747 /nfs/dbraw/zinc/33/97/47/389339747.db2.gz NIHDXOMUQRVPSA-UHFFFAOYSA-N 2 2 250.346 0.998 20 0 CCADLP O=C(CC[C@@H]1CC[NH2+]C1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000261721100 389275495 /nfs/dbraw/zinc/27/54/95/389275495.db2.gz FBSABJVHKGZARA-HUUCEWRRSA-N 2 2 295.427 0.699 20 0 CCADLP CCCNC(=O)[C@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000331003909 389279515 /nfs/dbraw/zinc/27/95/15/389279515.db2.gz RVHPREYJNLYFBD-LBPRGKRZSA-N 2 2 279.388 0.457 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1NCC1([NH+](C)C)CCOCC1 ZINC000344447589 389281415 /nfs/dbraw/zinc/28/14/15/389281415.db2.gz LWTFBJIMBKRYIY-OLZOCXBDSA-N 2 2 255.406 0.637 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1NCC1([NH+](C)C)CCOCC1 ZINC000344447589 389281417 /nfs/dbraw/zinc/28/14/17/389281417.db2.gz LWTFBJIMBKRYIY-OLZOCXBDSA-N 2 2 255.406 0.637 20 0 CCADLP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000344447589 389281420 /nfs/dbraw/zinc/28/14/20/389281420.db2.gz LWTFBJIMBKRYIY-OLZOCXBDSA-N 2 2 255.406 0.637 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000365600898 389281567 /nfs/dbraw/zinc/28/15/67/389281567.db2.gz QRFKDYLTIVBRFO-ZDUSSCGKSA-N 2 2 281.400 0.140 20 0 CCADLP C[C@H](CC(=O)NC[C@H](C)[NH+]1CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000262664044 389292832 /nfs/dbraw/zinc/29/28/32/389292832.db2.gz HWBFFRMNWWBIOG-ILXRZTDVSA-N 2 2 297.443 0.849 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCN1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366534781 389303919 /nfs/dbraw/zinc/30/39/19/389303919.db2.gz LXAAZZFCBGXFDF-GJZGRUSLSA-N 2 2 267.417 0.735 20 0 CCADLP C[C@H]1COCC[N@H+]1CCN1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366534781 389303921 /nfs/dbraw/zinc/30/39/21/389303921.db2.gz LXAAZZFCBGXFDF-GJZGRUSLSA-N 2 2 267.417 0.735 20 0 CCADLP C[C@H]1COCC[NH+]1CCN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366534781 389303924 /nfs/dbraw/zinc/30/39/24/389303924.db2.gz LXAAZZFCBGXFDF-GJZGRUSLSA-N 2 2 267.417 0.735 20 0 CCADLP C[C@H]1COCC[NH+]1CCN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366534781 389303925 /nfs/dbraw/zinc/30/39/25/389303925.db2.gz LXAAZZFCBGXFDF-GJZGRUSLSA-N 2 2 267.417 0.735 20 0 CCADLP Cc1nc(N2CCN(C(=O)C3(C)C[NH2+]C3)CC2)cc[nH+]1 ZINC000333262935 389407844 /nfs/dbraw/zinc/40/78/44/389407844.db2.gz JBTWXBIMNJVJLR-UHFFFAOYSA-N 2 2 275.356 0.043 20 0 CCADLP CC[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+](C)C ZINC000370661330 389409784 /nfs/dbraw/zinc/40/97/84/389409784.db2.gz QHSQMNQANDQJMR-DZGCQCFKSA-N 3 2 296.459 0.611 20 0 CCADLP CC[C@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+](C)C ZINC000370661330 389409787 /nfs/dbraw/zinc/40/97/87/389409787.db2.gz QHSQMNQANDQJMR-DZGCQCFKSA-N 3 2 296.459 0.611 20 0 CCADLP C[N@@H+]1CC[C@@H]2CCN(c3cc(-n4cccn4)nc(N)[nH+]3)[C@@H]2C1 ZINC000272202090 389465823 /nfs/dbraw/zinc/46/58/23/389465823.db2.gz OSJMJQWLKSJOMJ-VXGBXAGGSA-N 2 2 299.382 0.775 20 0 CCADLP C[N@H+]1CC[C@@H]2CCN(c3cc(-n4cccn4)nc(N)[nH+]3)[C@@H]2C1 ZINC000272202090 389465826 /nfs/dbraw/zinc/46/58/26/389465826.db2.gz OSJMJQWLKSJOMJ-VXGBXAGGSA-N 2 2 299.382 0.775 20 0 CCADLP O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000422749065 389466808 /nfs/dbraw/zinc/46/68/08/389466808.db2.gz XJTIRPRKJCIUHS-YPMHNXCESA-N 2 2 267.373 0.108 20 0 CCADLP O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000422749065 389466812 /nfs/dbraw/zinc/46/68/12/389466812.db2.gz XJTIRPRKJCIUHS-YPMHNXCESA-N 2 2 267.373 0.108 20 0 CCADLP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000422766715 389470108 /nfs/dbraw/zinc/47/01/08/389470108.db2.gz MGSQUQXNILILKM-CABCVRRESA-N 2 2 295.427 0.698 20 0 CCADLP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000422766715 389470111 /nfs/dbraw/zinc/47/01/11/389470111.db2.gz MGSQUQXNILILKM-CABCVRRESA-N 2 2 295.427 0.698 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000422782352 389474899 /nfs/dbraw/zinc/47/48/99/389474899.db2.gz LRYIKBOEKIZFPY-SOUVJXGZSA-N 2 2 297.443 0.990 20 0 CCADLP C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000422808204 389479519 /nfs/dbraw/zinc/47/95/19/389479519.db2.gz NUJOBYWVKBFLSY-LSDHHAIUSA-N 2 2 295.427 0.555 20 0 CCADLP C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000422808204 389479523 /nfs/dbraw/zinc/47/95/23/389479523.db2.gz NUJOBYWVKBFLSY-LSDHHAIUSA-N 2 2 295.427 0.555 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000422846061 389489691 /nfs/dbraw/zinc/48/96/91/389489691.db2.gz DRMZVZVLOVNHLC-KGLIPLIRSA-N 2 2 283.416 0.587 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000422846061 389489695 /nfs/dbraw/zinc/48/96/95/389489695.db2.gz DRMZVZVLOVNHLC-KGLIPLIRSA-N 2 2 283.416 0.587 20 0 CCADLP CC(C)[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)C(=O)N1CCOCC1 ZINC000422848004 389490565 /nfs/dbraw/zinc/49/05/65/389490565.db2.gz JCTKORVPVKSDKZ-HZSPNIEDSA-N 2 2 283.416 0.600 20 0 CCADLP CN1CC[N@H+](C)[C@H](CNC(=O)NCCC[NH+]2CCCC2)C1 ZINC000349760770 389431765 /nfs/dbraw/zinc/43/17/65/389431765.db2.gz YQODHOHKPRWHHE-CQSZACIVSA-N 2 2 297.447 0.017 20 0 CCADLP CN1CC[N@@H+](C)[C@H](CNC(=O)NCCC[NH+]2CCCC2)C1 ZINC000349760770 389431769 /nfs/dbraw/zinc/43/17/69/389431769.db2.gz YQODHOHKPRWHHE-CQSZACIVSA-N 2 2 297.447 0.017 20 0 CCADLP C[C@@H]1CN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)[C@@H](C)C[NH2+]1 ZINC000333794872 389443887 /nfs/dbraw/zinc/44/38/87/389443887.db2.gz NBGSKUDZQZSJOE-VWYCJHECSA-N 2 2 277.372 0.659 20 0 CCADLP C[C@@H]1CN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)[C@@H](C)C[NH2+]1 ZINC000333794872 389443888 /nfs/dbraw/zinc/44/38/88/389443888.db2.gz NBGSKUDZQZSJOE-VWYCJHECSA-N 2 2 277.372 0.659 20 0 CCADLP CC[C@](C)(O)C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000372548013 389452990 /nfs/dbraw/zinc/45/29/90/389452990.db2.gz PLVUKZFJASWQTN-ZFWWWQNUSA-N 2 2 283.416 0.562 20 0 CCADLP CC[C@](C)(O)C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000372548013 389452993 /nfs/dbraw/zinc/45/29/93/389452993.db2.gz PLVUKZFJASWQTN-ZFWWWQNUSA-N 2 2 283.416 0.562 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000422700903 389453486 /nfs/dbraw/zinc/45/34/86/389453486.db2.gz COHOJSFGINPFIY-LSDHHAIUSA-N 2 2 297.443 0.945 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000422700903 389453491 /nfs/dbraw/zinc/45/34/91/389453491.db2.gz COHOJSFGINPFIY-LSDHHAIUSA-N 2 2 297.443 0.945 20 0 CCADLP CCNC(=O)N1CC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000422929372 389507138 /nfs/dbraw/zinc/50/71/38/389507138.db2.gz PPSKRFSPRFOZPV-SDDRHHMPSA-N 2 2 254.378 0.378 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC000422935487 389507923 /nfs/dbraw/zinc/50/79/23/389507923.db2.gz ANGQFSDAOJCGLE-JGVFFNPUSA-N 2 2 253.268 0.253 20 0 CCADLP C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)[C@@H]1CCC[NH2+]1 ZINC000422954418 389510040 /nfs/dbraw/zinc/51/00/40/389510040.db2.gz HMVDKKGXCZLSOL-GUBZILKMSA-N 2 2 279.306 0.880 20 0 CCADLP CC(C)COC[C@H](O)C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422972587 389512777 /nfs/dbraw/zinc/51/27/77/389512777.db2.gz MHFHBOBQJWAJSI-MGPQQGTHSA-N 2 2 274.405 0.377 20 0 CCADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CCc1cc[nH+]cc1C ZINC000423008656 389521224 /nfs/dbraw/zinc/52/12/24/389521224.db2.gz AUGRWTRJJDCPIH-UONOGXRCSA-N 2 2 277.368 0.816 20 0 CCADLP CC(C)C(=O)NCCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423014238 389522607 /nfs/dbraw/zinc/52/26/07/389522607.db2.gz OMQZOEXOWLKKQH-ZIAGYGMSSA-N 2 2 283.416 0.505 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CN(C2CC2)CCO1 ZINC000423023585 389523519 /nfs/dbraw/zinc/52/35/19/389523519.db2.gz HPDXIKPZCKVBBR-UMVBOHGHSA-N 2 2 283.416 0.206 20 0 CCADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NC2CCOCC2)C1 ZINC000174961475 389532921 /nfs/dbraw/zinc/53/29/21/389532921.db2.gz XAXVPKFCYZRVPU-CQSZACIVSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NC2CCOCC2)C1 ZINC000174961475 389532927 /nfs/dbraw/zinc/53/29/27/389532927.db2.gz XAXVPKFCYZRVPU-CQSZACIVSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC2CCOCC2)C1 ZINC000174961475 389532929 /nfs/dbraw/zinc/53/29/29/389532929.db2.gz XAXVPKFCYZRVPU-CQSZACIVSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC2CCOCC2)C1 ZINC000174961475 389532934 /nfs/dbraw/zinc/53/29/34/389532934.db2.gz XAXVPKFCYZRVPU-CQSZACIVSA-N 2 2 297.443 0.945 20 0 CCADLP C[C@@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCC[NH2+]1 ZINC000423147055 389544827 /nfs/dbraw/zinc/54/48/27/389544827.db2.gz BXRJUVMXXLMYAR-YIYPIFLZSA-N 2 2 253.390 0.580 20 0 CCADLP C[C@@H](NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCC[NH2+]1 ZINC000423147055 389544832 /nfs/dbraw/zinc/54/48/32/389544832.db2.gz BXRJUVMXXLMYAR-YIYPIFLZSA-N 2 2 253.390 0.580 20 0 CCADLP C[C@@H](NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CCC[NH2+]1 ZINC000423147055 389544834 /nfs/dbraw/zinc/54/48/34/389544834.db2.gz BXRJUVMXXLMYAR-YIYPIFLZSA-N 2 2 253.390 0.580 20 0 CCADLP CC[C@H]([NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)[C@@H](O)C(F)F ZINC000423153464 389545518 /nfs/dbraw/zinc/54/55/18/389545518.db2.gz GPUITYLZVHUVAF-CHWFTXMASA-N 2 2 266.332 0.748 20 0 CCADLP CC[C@H](C(=O)N1CC[N@H+](CCC(=O)OC)[C@@H](C)C1)[NH+](C)C ZINC000413679107 389548573 /nfs/dbraw/zinc/54/85/73/389548573.db2.gz YJCPKXOYRHMOFU-QWHCGFSZSA-N 2 2 299.415 0.422 20 0 CCADLP CC[C@H](C(=O)N1CC[N@@H+](CCC(=O)OC)[C@@H](C)C1)[NH+](C)C ZINC000413679107 389548575 /nfs/dbraw/zinc/54/85/75/389548575.db2.gz YJCPKXOYRHMOFU-QWHCGFSZSA-N 2 2 299.415 0.422 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)[NH+](C)C ZINC000350897615 389553425 /nfs/dbraw/zinc/55/34/25/389553425.db2.gz RYHJEVQZIMCUOW-JSGCOSHPSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)[NH+](C)C ZINC000350897615 389553428 /nfs/dbraw/zinc/55/34/28/389553428.db2.gz RYHJEVQZIMCUOW-JSGCOSHPSA-N 2 2 283.416 0.696 20 0 CCADLP COC[C@@H](CCC[NH3+])Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423242088 389556729 /nfs/dbraw/zinc/55/67/29/389556729.db2.gz YJIIEMSNPMFTIR-CYBMUJFWSA-N 3 2 293.415 0.657 20 0 CCADLP C[C@@H]1CN(C(=O)NCC(F)(F)C[NH3+])C[C@H](C)[N@H+]1C ZINC000335424458 389557890 /nfs/dbraw/zinc/55/78/90/389557890.db2.gz YUXSWXQRYSXYTM-DTORHVGOSA-N 2 2 264.320 0.314 20 0 CCADLP C[C@@H]1CN(C(=O)NCC(F)(F)C[NH3+])C[C@H](C)[N@@H+]1C ZINC000335424458 389557893 /nfs/dbraw/zinc/55/78/93/389557893.db2.gz YUXSWXQRYSXYTM-DTORHVGOSA-N 2 2 264.320 0.314 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423283060 389560003 /nfs/dbraw/zinc/56/00/03/389560003.db2.gz WZBPJHCQCHSPMF-MGPQQGTHSA-N 3 2 255.406 0.733 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCN1CCCCC1=O ZINC000422863527 389495528 /nfs/dbraw/zinc/49/55/28/389495528.db2.gz RUARRRLLHKWCOD-KGLIPLIRSA-N 2 2 283.416 0.746 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1NCC[N@H+](CC)C(C)C ZINC000422879192 389498253 /nfs/dbraw/zinc/49/82/53/389498253.db2.gz LQNNIZFPPGWBSV-STQMWFEESA-N 2 2 271.405 0.600 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1NCC[N@@H+](CC)C(C)C ZINC000422879192 389498256 /nfs/dbraw/zinc/49/82/56/389498256.db2.gz LQNNIZFPPGWBSV-STQMWFEESA-N 2 2 271.405 0.600 20 0 CCADLP COCC[N@@H+]1CC[C@H](N[C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000422888303 389499662 /nfs/dbraw/zinc/49/96/62/389499662.db2.gz MNVSNTZWHKHYLN-RRFJBIMHSA-N 2 2 283.416 0.064 20 0 CCADLP COCC[N@H+]1CC[C@H](N[C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000422888303 389499664 /nfs/dbraw/zinc/49/96/64/389499664.db2.gz MNVSNTZWHKHYLN-RRFJBIMHSA-N 2 2 283.416 0.064 20 0 CCADLP COCCN1CC[C@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000422888303 389499668 /nfs/dbraw/zinc/49/96/68/389499668.db2.gz MNVSNTZWHKHYLN-RRFJBIMHSA-N 2 2 283.416 0.064 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC(C)(C)[NH3+] ZINC000422885300 389500434 /nfs/dbraw/zinc/50/04/34/389500434.db2.gz UCUUSLOHTAVBFD-LLVKDONJSA-N 2 2 257.378 0.341 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC(C)(C)[NH3+] ZINC000422885300 389500436 /nfs/dbraw/zinc/50/04/36/389500436.db2.gz UCUUSLOHTAVBFD-LLVKDONJSA-N 2 2 257.378 0.341 20 0 CCADLP CN1CCC[C@@H]1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422905780 389503387 /nfs/dbraw/zinc/50/33/87/389503387.db2.gz SSIOWRSXIRSLIO-RDBSUJKOSA-N 2 2 253.390 0.437 20 0 CCADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1ccc(Br)cn1 ZINC000414969719 389649004 /nfs/dbraw/zinc/64/90/04/389649004.db2.gz TVGZVZZRUZCEIP-LBPRGKRZSA-N 2 2 299.216 0.837 20 0 CCADLP COc1ccc(C[NH2+]C[C@H]2C[NH2+]CCN2C)cc1O ZINC000414963078 389647656 /nfs/dbraw/zinc/64/76/56/389647656.db2.gz KNMBIXRMCSAFIT-GFCCVEGCSA-N 2 2 265.357 0.394 20 0 CCADLP C[C@H]1C[C@H](C[NH+]2CCN(Cc3[nH+]ccn3C)CC2)CC[NH2+]1 ZINC000414700555 389628488 /nfs/dbraw/zinc/62/84/88/389628488.db2.gz TUNVEYDTNNIJDT-LSDHHAIUSA-N 3 2 291.443 0.926 20 0 CCADLP CC(C)C[C@H]([NH3+])C[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000414748897 389635195 /nfs/dbraw/zinc/63/51/95/389635195.db2.gz VHAYCKSQAZSAPO-SWLSCSKDSA-N 2 2 296.415 0.670 20 0 CCADLP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@@H]([NH3+])CC(C)C ZINC000414756423 389635433 /nfs/dbraw/zinc/63/54/33/389635433.db2.gz QTEGVMZRURGQLZ-NWDGAFQWSA-N 2 2 277.434 0.373 20 0 CCADLP CNS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@@H]([NH3+])CC(C)C ZINC000414756423 389635434 /nfs/dbraw/zinc/63/54/34/389635434.db2.gz QTEGVMZRURGQLZ-NWDGAFQWSA-N 2 2 277.434 0.373 20 0 CCADLP O[C@@H](Cn1cccn1)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000375086079 389637650 /nfs/dbraw/zinc/63/76/50/389637650.db2.gz YLYJJDFPNCBSFT-UKRRQHHQSA-N 2 2 288.351 0.792 20 0 CCADLP CCOC(=O)Cn1nc(C)c(C[NH2+]C[C@@H]2CCC[NH2+]2)c1C ZINC000414845482 389640244 /nfs/dbraw/zinc/64/02/44/389640244.db2.gz MARWBDZMZRFTKC-ZDUSSCGKSA-N 2 2 294.399 0.905 20 0 CCADLP COCC[NH2+]CC[NH2+]Cc1cc(OC)c(O)c(OC)c1 ZINC000414883340 389642274 /nfs/dbraw/zinc/64/22/74/389642274.db2.gz MPHFTQLWFOBEBI-UHFFFAOYSA-N 2 2 284.356 0.735 20 0 CCADLP Cn1c(C[NH2+]C[C@H]2C[NH2+]CCN2C)nc2ccccc21 ZINC000414968004 389648906 /nfs/dbraw/zinc/64/89/06/389648906.db2.gz QXQCTMRQNXVVBL-GFCCVEGCSA-N 2 2 273.384 0.567 20 0 CCADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(=O)n4[nH]ccc4n3)C[C@H]12 ZINC000351478496 389586395 /nfs/dbraw/zinc/58/63/95/389586395.db2.gz PMLHOSCYFWULKA-ZMLRMANQSA-N 2 2 273.340 0.192 20 0 CCADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(=O)n4[nH]ccc4n3)C[C@H]12 ZINC000351478496 389586399 /nfs/dbraw/zinc/58/63/99/389586399.db2.gz PMLHOSCYFWULKA-ZMLRMANQSA-N 2 2 273.340 0.192 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351480925 389587878 /nfs/dbraw/zinc/58/78/78/389587878.db2.gz WJMVDJLLHMJZBJ-XQQFMLRXSA-N 2 2 274.430 0.869 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351480925 389587881 /nfs/dbraw/zinc/58/78/81/389587881.db2.gz WJMVDJLLHMJZBJ-XQQFMLRXSA-N 2 2 274.430 0.869 20 0 CCADLP [NH3+]CCCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000423513146 389597128 /nfs/dbraw/zinc/59/71/28/389597128.db2.gz VGWFLKYAMYJDFD-ZDUSSCGKSA-N 2 2 269.389 0.485 20 0 CCADLP [NH3+]CCCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000423513146 389597134 /nfs/dbraw/zinc/59/71/34/389597134.db2.gz VGWFLKYAMYJDFD-ZDUSSCGKSA-N 2 2 269.389 0.485 20 0 CCADLP COC[C@]1(C[NH2+][C@H](C)C[C@@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000414950521 389646462 /nfs/dbraw/zinc/64/64/62/389646462.db2.gz FHGFIFOPTQSTJS-HZSPNIEDSA-N 3 2 255.406 0.875 20 0 CCADLP O=C(CN1CC[NH+](CCCn2cc[nH+]c2)CC1)NC1CC1 ZINC000182616281 389712182 /nfs/dbraw/zinc/71/21/82/389712182.db2.gz RZHDNAWNHIRQAZ-UHFFFAOYSA-N 2 2 291.399 0.169 20 0 CCADLP CC(C)[C@H]1C[N@H+](C)CCN1CC[NH+]1CCOC[C@@H]1C ZINC000425480635 389649487 /nfs/dbraw/zinc/64/94/87/389649487.db2.gz PGIWOFYVHIJKQE-LSDHHAIUSA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@H]1C[N@@H+](C)CCN1CC[NH+]1CCOC[C@@H]1C ZINC000425480635 389649491 /nfs/dbraw/zinc/64/94/91/389649491.db2.gz PGIWOFYVHIJKQE-LSDHHAIUSA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@H]1C[NH+](C)CCN1CC[N@@H+]1CCOC[C@@H]1C ZINC000425480635 389649494 /nfs/dbraw/zinc/64/94/94/389649494.db2.gz PGIWOFYVHIJKQE-LSDHHAIUSA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@H]1C[NH+](C)CCN1CC[N@H+]1CCOC[C@@H]1C ZINC000425480635 389649496 /nfs/dbraw/zinc/64/94/96/389649496.db2.gz PGIWOFYVHIJKQE-LSDHHAIUSA-N 2 2 269.433 0.979 20 0 CCADLP C[N@@H+](Cc1cccc2c1OCCCO2)C[C@H](O)C[NH3+] ZINC000415055108 389654122 /nfs/dbraw/zinc/65/41/22/389654122.db2.gz MKLQNUQIVBIHNH-GFCCVEGCSA-N 2 2 266.341 0.599 20 0 CCADLP C[N@H+](Cc1cccc2c1OCCCO2)C[C@H](O)C[NH3+] ZINC000415055108 389654126 /nfs/dbraw/zinc/65/41/26/389654126.db2.gz MKLQNUQIVBIHNH-GFCCVEGCSA-N 2 2 266.341 0.599 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N(C)c2nccs2)C1 ZINC000351857635 389700418 /nfs/dbraw/zinc/70/04/18/389700418.db2.gz YAMXYEGGIVEJFK-ZJUUUORDSA-N 2 2 268.386 0.775 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N(C)c2nccs2)C1 ZINC000351857635 389700421 /nfs/dbraw/zinc/70/04/21/389700421.db2.gz YAMXYEGGIVEJFK-ZJUUUORDSA-N 2 2 268.386 0.775 20 0 CCADLP CC[N@@H+]1CC[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000351883639 389707114 /nfs/dbraw/zinc/70/71/14/389707114.db2.gz YYWYGCCNYPMPQX-NSHDSACASA-N 2 2 250.346 0.800 20 0 CCADLP CC[N@H+]1CC[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000351883639 389707118 /nfs/dbraw/zinc/70/71/18/389707118.db2.gz YYWYGCCNYPMPQX-NSHDSACASA-N 2 2 250.346 0.800 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCN1CCN(c2[nH+]ccn2C)CC1 ZINC000429695619 389766584 /nfs/dbraw/zinc/76/65/84/389766584.db2.gz PTQIWCGQFLKLGF-CQSZACIVSA-N 2 2 293.415 0.263 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCN1CCN(c2[nH+]ccn2C)CC1 ZINC000429695619 389766587 /nfs/dbraw/zinc/76/65/87/389766587.db2.gz PTQIWCGQFLKLGF-CQSZACIVSA-N 2 2 293.415 0.263 20 0 CCADLP C[C@@H]1COCCN1CC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000429695619 389766589 /nfs/dbraw/zinc/76/65/89/389766589.db2.gz PTQIWCGQFLKLGF-CQSZACIVSA-N 2 2 293.415 0.263 20 0 CCADLP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000387600731 389766758 /nfs/dbraw/zinc/76/67/58/389766758.db2.gz VVHUXIQVPYXCRM-NWDGAFQWSA-N 2 2 271.405 0.457 20 0 CCADLP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000387600731 389766760 /nfs/dbraw/zinc/76/67/60/389766760.db2.gz VVHUXIQVPYXCRM-NWDGAFQWSA-N 2 2 271.405 0.457 20 0 CCADLP CCCC[C@@H](C[NH3+])NC(=O)NCCn1cc[nH+]c1 ZINC000416860697 389777147 /nfs/dbraw/zinc/77/71/47/389777147.db2.gz VWGLJYNBOSLCNQ-NSHDSACASA-N 2 2 253.350 0.700 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000416945797 389783589 /nfs/dbraw/zinc/78/35/89/389783589.db2.gz NKSSPIIMAIDTIV-MNOVXSKESA-N 2 2 275.356 0.912 20 0 CCADLP O=C(NCCc1cn2ccccc2[nH+]1)N[C@@H]1CCC[NH2+]C1 ZINC000416952543 389784233 /nfs/dbraw/zinc/78/42/33/389784233.db2.gz UVQQYUHDGZCUMT-GFCCVEGCSA-N 2 2 287.367 0.928 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000417019952 389790211 /nfs/dbraw/zinc/79/02/11/389790211.db2.gz GWWGCGIPGQQNQQ-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N(C)Cc1[nH+]ccn1C ZINC000352322826 389790289 /nfs/dbraw/zinc/79/02/89/389790289.db2.gz UDFKRJAOUPTEGF-UHFFFAOYSA-N 2 2 288.417 0.524 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000417151823 389800674 /nfs/dbraw/zinc/80/06/74/389800674.db2.gz HZGSCSYKHAJXCQ-CQSZACIVSA-N 2 2 297.378 0.925 20 0 CCADLP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)NC(=O)NC3CC3)C2)C1 ZINC000429010488 389733482 /nfs/dbraw/zinc/73/34/82/389733482.db2.gz PXKDAMRNPHPPTJ-AWEZNQCLSA-N 2 2 280.372 0.002 20 0 CCADLP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)NC(=O)NC3CC3)C2)C1 ZINC000429010488 389733486 /nfs/dbraw/zinc/73/34/86/389733486.db2.gz PXKDAMRNPHPPTJ-AWEZNQCLSA-N 2 2 280.372 0.002 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)NC(=O)NC3CC3)C2)C1 ZINC000429010488 389733488 /nfs/dbraw/zinc/73/34/88/389733488.db2.gz PXKDAMRNPHPPTJ-AWEZNQCLSA-N 2 2 280.372 0.002 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)NC(=O)NC3CC3)C2)C1 ZINC000429010488 389733489 /nfs/dbraw/zinc/73/34/89/389733489.db2.gz PXKDAMRNPHPPTJ-AWEZNQCLSA-N 2 2 280.372 0.002 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000352093899 389751140 /nfs/dbraw/zinc/75/11/40/389751140.db2.gz VJCSAXUNCKJCII-OLZOCXBDSA-N 2 2 291.461 0.682 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000352093899 389751141 /nfs/dbraw/zinc/75/11/41/389751141.db2.gz VJCSAXUNCKJCII-OLZOCXBDSA-N 2 2 291.461 0.682 20 0 CCADLP CCc1cc(=O)[nH]c(C[NH2+][C@](C)(C[NH3+])C2CC2)n1 ZINC000430586144 389810028 /nfs/dbraw/zinc/81/00/28/389810028.db2.gz VHZOSTLBUARVFZ-CYBMUJFWSA-N 2 2 250.346 0.962 20 0 CCADLP C[C@H](CCC[NH3+])NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000417430974 389815899 /nfs/dbraw/zinc/81/58/99/389815899.db2.gz YSMGERRYQMWBGZ-GFCCVEGCSA-N 2 2 286.420 0.524 20 0 CCADLP C[C@H](CCC[NH3+])NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000417430974 389815903 /nfs/dbraw/zinc/81/59/03/389815903.db2.gz YSMGERRYQMWBGZ-GFCCVEGCSA-N 2 2 286.420 0.524 20 0 CCADLP C[C@@H]1[NH2+]CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)[C@H]1C ZINC000417430149 389816006 /nfs/dbraw/zinc/81/60/06/389816006.db2.gz WXFQBJNAZGGDGJ-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1[NH2+]CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)[C@H]1C ZINC000417430149 389816008 /nfs/dbraw/zinc/81/60/08/389816008.db2.gz WXFQBJNAZGGDGJ-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)NC1CCC([NH3+])CC1 ZINC000417499310 389821684 /nfs/dbraw/zinc/82/16/84/389821684.db2.gz FXOLKAXVPZIVOC-UHFFFAOYSA-N 2 2 298.431 0.666 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)NC1CCC([NH3+])CC1 ZINC000417499310 389821687 /nfs/dbraw/zinc/82/16/87/389821687.db2.gz FXOLKAXVPZIVOC-UHFFFAOYSA-N 2 2 298.431 0.666 20 0 CCADLP CN(C)c1ccc(CNC(=O)C[C@@H]2CCC[NH2+]2)c[nH+]1 ZINC000430747793 389822243 /nfs/dbraw/zinc/82/22/43/389822243.db2.gz AAGQJRUOENTIFW-LBPRGKRZSA-N 2 2 262.357 0.906 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N1CCCC[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000417519553 389824820 /nfs/dbraw/zinc/82/48/20/389824820.db2.gz MOBYDGAXXIQJEC-BFHYXJOUSA-N 2 2 298.431 0.618 20 0 CCADLP C[NH2+]CCCNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000417517978 389825087 /nfs/dbraw/zinc/82/50/87/389825087.db2.gz JZSZQQHKQGDXGL-RYUDHWBXSA-N 2 2 272.393 0.004 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000417528869 389826749 /nfs/dbraw/zinc/82/67/49/389826749.db2.gz QFBGRXXUWYECJT-KBPBESRZSA-N 2 2 298.431 0.478 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000417528869 389826751 /nfs/dbraw/zinc/82/67/51/389826751.db2.gz QFBGRXXUWYECJT-KBPBESRZSA-N 2 2 298.431 0.478 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C1([NH3+])CCCC1 ZINC000430877686 389830460 /nfs/dbraw/zinc/83/04/60/389830460.db2.gz DMKOSGZQANVDFU-LLVKDONJSA-N 2 2 255.362 0.095 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C1([NH3+])CCCC1 ZINC000430877686 389830465 /nfs/dbraw/zinc/83/04/65/389830465.db2.gz DMKOSGZQANVDFU-LLVKDONJSA-N 2 2 255.362 0.095 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000430919509 389834921 /nfs/dbraw/zinc/83/49/21/389834921.db2.gz QVSYIPAOXCCWPL-DGCLKSJQSA-N 2 2 277.372 0.067 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000430919509 389834922 /nfs/dbraw/zinc/83/49/22/389834922.db2.gz QVSYIPAOXCCWPL-DGCLKSJQSA-N 2 2 277.372 0.067 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC[C@H]1[NH3+] ZINC000430921033 389835101 /nfs/dbraw/zinc/83/51/01/389835101.db2.gz RDVNCRDSVMZKCF-KBUPBQIOSA-N 2 2 295.427 0.826 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC[C@H]1[NH3+] ZINC000430921033 389835102 /nfs/dbraw/zinc/83/51/02/389835102.db2.gz RDVNCRDSVMZKCF-KBUPBQIOSA-N 2 2 295.427 0.826 20 0 CCADLP Cn1ccc(N2CCC[C@H]([N@@H+]3CC[C@@H](C[NH3+])C3)C2=O)n1 ZINC000430929913 389835608 /nfs/dbraw/zinc/83/56/08/389835608.db2.gz XBBPNDCVVZDFRK-RYUDHWBXSA-N 2 2 277.372 0.196 20 0 CCADLP Cn1ccc(N2CCC[C@H]([N@H+]3CC[C@@H](C[NH3+])C3)C2=O)n1 ZINC000430929913 389835610 /nfs/dbraw/zinc/83/56/10/389835610.db2.gz XBBPNDCVVZDFRK-RYUDHWBXSA-N 2 2 277.372 0.196 20 0 CCADLP Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C[NH3+])C2)on1 ZINC000430930448 389836745 /nfs/dbraw/zinc/83/67/45/389836745.db2.gz ATHWTMKWXNFCAM-ZJUUUORDSA-N 2 2 252.318 0.591 20 0 CCADLP Cc1cc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C[NH3+])C2)on1 ZINC000430930448 389836747 /nfs/dbraw/zinc/83/67/47/389836747.db2.gz ATHWTMKWXNFCAM-ZJUUUORDSA-N 2 2 252.318 0.591 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)n1 ZINC000430947292 389838549 /nfs/dbraw/zinc/83/85/49/389838549.db2.gz AMKJXFIIVDYSOH-GXSJLCMTSA-N 2 2 250.346 0.914 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)n1 ZINC000430947292 389838550 /nfs/dbraw/zinc/83/85/50/389838550.db2.gz AMKJXFIIVDYSOH-GXSJLCMTSA-N 2 2 250.346 0.914 20 0 CCADLP CCC(CC)[C@H](C(=O)NC[C@@H](C)C[NH3+])[NH+]1CCOCC1 ZINC000441605563 389838992 /nfs/dbraw/zinc/83/89/92/389838992.db2.gz TUQXTCRCXVZZHX-GXTWGEPZSA-N 2 2 285.432 0.834 20 0 CCADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000430951337 389839186 /nfs/dbraw/zinc/83/91/86/389839186.db2.gz VCVALHMEEONRBT-OCCSQVGLSA-N 2 2 289.379 0.387 20 0 CCADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000430951337 389839187 /nfs/dbraw/zinc/83/91/87/389839187.db2.gz VCVALHMEEONRBT-OCCSQVGLSA-N 2 2 289.379 0.387 20 0 CCADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)NCC2CCCCC2)C1 ZINC000430956910 389839866 /nfs/dbraw/zinc/83/98/66/389839866.db2.gz QMSBVOZQRVDHOA-CYBMUJFWSA-N 2 2 253.390 0.964 20 0 CCADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)NCC2CCCCC2)C1 ZINC000430956910 389839869 /nfs/dbraw/zinc/83/98/69/389839869.db2.gz QMSBVOZQRVDHOA-CYBMUJFWSA-N 2 2 253.390 0.964 20 0 CCADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)NCCc2c(F)cccc2F)C1 ZINC000430963184 389841121 /nfs/dbraw/zinc/84/11/21/389841121.db2.gz SKKBMVAKJIDHNF-LLVKDONJSA-N 2 2 297.349 0.904 20 0 CCADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)NCCc2c(F)cccc2F)C1 ZINC000430963184 389841127 /nfs/dbraw/zinc/84/11/27/389841127.db2.gz SKKBMVAKJIDHNF-LLVKDONJSA-N 2 2 297.349 0.904 20 0 CCADLP [NH3+][C@@H]1CC[C@@H](C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000431002717 389843598 /nfs/dbraw/zinc/84/35/98/389843598.db2.gz NRBRWFHOLGSNQR-VXGBXAGGSA-N 2 2 277.372 0.181 20 0 CCADLP Cn1cc(C[NH+]2CCN(C(=O)C[C@H]3CCC[NH2+]3)CC2)cn1 ZINC000431005721 389844233 /nfs/dbraw/zinc/84/42/33/389844233.db2.gz WJJWZBWHBSEDCL-CQSZACIVSA-N 2 2 291.399 0.206 20 0 CCADLP O=C([C@H]1COCC[NH2+]1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000431032508 389846705 /nfs/dbraw/zinc/84/67/05/389846705.db2.gz JVUYMJPGXQPIBI-LLVKDONJSA-N 2 2 264.329 0.104 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(C)(C)[NH3+])CC2)CC1 ZINC000431043748 389847399 /nfs/dbraw/zinc/84/73/99/389847399.db2.gz FPXLHYYBRPIMEH-UHFFFAOYSA-N 3 2 282.432 0.399 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000431065675 389848883 /nfs/dbraw/zinc/84/88/83/389848883.db2.gz OVYCBXORDDLKBV-NSHDSACASA-N 2 2 250.346 0.902 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@@H+]2CCCC[C@@H]2CC(N)=O)n1 ZINC000431089733 389849804 /nfs/dbraw/zinc/84/98/04/389849804.db2.gz VYASPPGHUJJCDN-SECBINFHSA-N 2 2 281.360 0.493 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@H+]2CCCC[C@@H]2CC(N)=O)n1 ZINC000431089733 389849805 /nfs/dbraw/zinc/84/98/05/389849805.db2.gz VYASPPGHUJJCDN-SECBINFHSA-N 2 2 281.360 0.493 20 0 CCADLP [NH3+]CC(F)(F)CNC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000417816156 389851370 /nfs/dbraw/zinc/85/13/70/389851370.db2.gz UHWQNJLYZAGRNX-SECBINFHSA-N 2 2 279.237 0.675 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCC1(O)CCOCC1 ZINC000353863699 389856505 /nfs/dbraw/zinc/85/65/05/389856505.db2.gz HAGJRVYXSADOBE-JSGCOSHPSA-N 2 2 268.401 0.990 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCC1(O)CCOCC1 ZINC000353863699 389856508 /nfs/dbraw/zinc/85/65/08/389856508.db2.gz HAGJRVYXSADOBE-JSGCOSHPSA-N 2 2 268.401 0.990 20 0 CCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCNS(=O)(=O)c1ccccc1 ZINC000442764442 389862248 /nfs/dbraw/zinc/86/22/48/389862248.db2.gz TWCHFIBXEZZXNR-OLZOCXBDSA-N 2 2 297.424 0.634 20 0 CCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCNS(=O)(=O)c1ccccc1 ZINC000442764442 389862249 /nfs/dbraw/zinc/86/22/49/389862249.db2.gz TWCHFIBXEZZXNR-OLZOCXBDSA-N 2 2 297.424 0.634 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)N3CC[NH2+]CC3)cn21 ZINC000418002023 389863840 /nfs/dbraw/zinc/86/38/40/389863840.db2.gz YDKALVYIRMKOOG-UHFFFAOYSA-N 2 2 273.340 0.758 20 0 CCADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)[C@H]1CC[NH2+]1 ZINC000444182688 389895234 /nfs/dbraw/zinc/89/52/34/389895234.db2.gz LQODZODMFXFSJS-MRVPVSSYSA-N 2 2 276.262 0.766 20 0 CCADLP CCN1CC[NH+](CCCNC(=O)c2coc(C[NH3+])c2)CC1 ZINC000444262350 389898333 /nfs/dbraw/zinc/89/83/33/389898333.db2.gz ANDFCRGSBFYMHN-UHFFFAOYSA-N 2 2 294.399 0.496 20 0 CCADLP CCc1nc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc(C)[nH+]1 ZINC000575073239 335062296 /nfs/dbraw/zinc/06/22/96/335062296.db2.gz WQXDVDCITKMRPS-QWRGUYRKSA-N 2 2 275.356 0.096 20 0 CCADLP C[NH2+]CCC[N@H+](CCCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000435869335 389964909 /nfs/dbraw/zinc/96/49/09/389964909.db2.gz JFRTVADAUKZGIG-GFCCVEGCSA-N 2 2 278.418 0.122 20 0 CCADLP C[NH2+]CCC[N@@H+](CCCOC)[C@@H]1CCS(=O)(=O)C1 ZINC000435869335 389964910 /nfs/dbraw/zinc/96/49/10/389964910.db2.gz JFRTVADAUKZGIG-GFCCVEGCSA-N 2 2 278.418 0.122 20 0 CCADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CC[NH2+][C@@H](C)C3)nc[nH+]2)C1 ZINC000420240955 389971310 /nfs/dbraw/zinc/97/13/10/389971310.db2.gz SFRGVOPCAODUDB-RWMBFGLXSA-N 2 2 291.399 0.482 20 0 CCADLP C[C@H]1CN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC[NH2+]1 ZINC000420241699 389971649 /nfs/dbraw/zinc/97/16/49/389971649.db2.gz SZFGCJLAJXYJDN-QWHCGFSZSA-N 2 2 291.399 0.626 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000433479914 389915596 /nfs/dbraw/zinc/91/55/96/389915596.db2.gz JPPNCXCEDJIULR-SKDRFNHKSA-N 2 2 258.366 0.184 20 0 CCADLP CCOCC[C@H](O)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000434634003 389939373 /nfs/dbraw/zinc/93/93/73/389939373.db2.gz OFCDLQNTQLGPEJ-ZDUSSCGKSA-N 2 2 282.388 0.315 20 0 CCADLP CO[C@]1(C)C[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000446969370 389943646 /nfs/dbraw/zinc/94/36/46/389943646.db2.gz JYSSDCXRKREXBY-IUODEOHRSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H](CNC(=O)NCCCn1cc[nH+]c1)[NH+](C)C ZINC000457384139 390041359 /nfs/dbraw/zinc/04/13/59/390041359.db2.gz KHTKFOMHAGDCCI-NSHDSACASA-N 2 2 253.350 0.523 20 0 CCADLP CC[NH+](CC)CCNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000457407378 390042977 /nfs/dbraw/zinc/04/29/77/390042977.db2.gz OHRIYPKORFUMMC-OKILXGFUSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH+](CC)CCNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000457407378 390042979 /nfs/dbraw/zinc/04/29/79/390042979.db2.gz OHRIYPKORFUMMC-OKILXGFUSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420295816 389979562 /nfs/dbraw/zinc/97/95/62/389979562.db2.gz WCGBGNRBOHEEBC-SIXLDLHFSA-N 3 2 291.439 0.977 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420295816 389979563 /nfs/dbraw/zinc/97/95/63/389979563.db2.gz WCGBGNRBOHEEBC-SIXLDLHFSA-N 3 2 291.439 0.977 20 0 CCADLP CN(C)C(=O)CC[N@H+](CC[NH3+])CCc1ccccc1 ZINC000420306342 389981324 /nfs/dbraw/zinc/98/13/24/389981324.db2.gz ATCSSRQNXLLVML-UHFFFAOYSA-N 2 2 263.385 0.968 20 0 CCADLP CN(C)C(=O)CC[N@@H+](CC[NH3+])CCc1ccccc1 ZINC000420306342 389981326 /nfs/dbraw/zinc/98/13/26/389981326.db2.gz ATCSSRQNXLLVML-UHFFFAOYSA-N 2 2 263.385 0.968 20 0 CCADLP COc1ccc([C@@H](C[NH3+])C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000420318460 389982942 /nfs/dbraw/zinc/98/29/42/389982942.db2.gz WFTDERLOPDXKSJ-SOUVJXGZSA-N 3 2 275.396 0.889 20 0 CCADLP COc1ccc([C@@H](C[NH3+])C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000420318460 389982943 /nfs/dbraw/zinc/98/29/43/389982943.db2.gz WFTDERLOPDXKSJ-SOUVJXGZSA-N 3 2 275.396 0.889 20 0 CCADLP CCOC(=O)[C@@H](C)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328907 389984285 /nfs/dbraw/zinc/98/42/85/389984285.db2.gz NLHPHLRTZNTHME-NEPJUHHUSA-N 2 2 270.373 0.625 20 0 CCADLP CCOC(=O)[C@@H](C)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328907 389984287 /nfs/dbraw/zinc/98/42/87/389984287.db2.gz NLHPHLRTZNTHME-NEPJUHHUSA-N 2 2 270.373 0.625 20 0 CCADLP CCCCOCCNC(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000420331316 389984634 /nfs/dbraw/zinc/98/46/34/389984634.db2.gz MGVGIXDFNNRIRG-UHFFFAOYSA-N 2 2 257.378 0.341 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000420331316 389984637 /nfs/dbraw/zinc/98/46/37/389984637.db2.gz MGVGIXDFNNRIRG-UHFFFAOYSA-N 2 2 257.378 0.341 20 0 CCADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420351202 389989254 /nfs/dbraw/zinc/98/92/54/389989254.db2.gz JIXOIKHVXLVBHS-SMDDNHRTSA-N 2 2 297.374 0.424 20 0 CCADLP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420351202 389989258 /nfs/dbraw/zinc/98/92/58/389989258.db2.gz JIXOIKHVXLVBHS-SMDDNHRTSA-N 2 2 297.374 0.424 20 0 CCADLP C[C@H](C(=O)NCc1ccccc1Cl)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420352771 389989857 /nfs/dbraw/zinc/98/98/57/389989857.db2.gz MSSAOSWZRZSXTC-ZYHUDNBSSA-N 2 2 299.802 0.596 20 0 CCADLP C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420352771 389989860 /nfs/dbraw/zinc/98/98/60/389989860.db2.gz MSSAOSWZRZSXTC-ZYHUDNBSSA-N 2 2 299.802 0.596 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NCCC[NH+]1CCOCC1 ZINC000420355656 389990372 /nfs/dbraw/zinc/99/03/72/389990372.db2.gz CDNWYBRXATWPRJ-RDBSUJKOSA-N 2 2 255.406 0.685 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420356487 389991008 /nfs/dbraw/zinc/99/10/08/389991008.db2.gz CQBFAAYLWNUIGY-WHOHXGKFSA-N 2 2 284.404 0.585 20 0 CCADLP Cc1ccccc1CCNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420359840 389991539 /nfs/dbraw/zinc/99/15/39/389991539.db2.gz WFAVVFHHJXGMJI-UKRRQHHQSA-N 2 2 293.411 0.294 20 0 CCADLP Cc1ccccc1CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420359840 389991541 /nfs/dbraw/zinc/99/15/41/389991541.db2.gz WFAVVFHHJXGMJI-UKRRQHHQSA-N 2 2 293.411 0.294 20 0 CCADLP Cc1ccc([C@@H](C)NC(=O)C[N@H+](C)C[C@H](O)C[NH3+])cc1C ZINC000420362000 389992236 /nfs/dbraw/zinc/99/22/36/389992236.db2.gz YTLJGYDGTGDJAT-UKRRQHHQSA-N 2 2 293.411 0.732 20 0 CCADLP Cc1ccc([C@@H](C)NC(=O)C[N@@H+](C)C[C@H](O)C[NH3+])cc1C ZINC000420362000 389992239 /nfs/dbraw/zinc/99/22/39/389992239.db2.gz YTLJGYDGTGDJAT-UKRRQHHQSA-N 2 2 293.411 0.732 20 0 CCADLP CCOCCNC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420366826 389992428 /nfs/dbraw/zinc/99/24/28/389992428.db2.gz MNWBACKSZFJWKJ-NTZNESFSSA-N 2 2 257.378 0.115 20 0 CCADLP [NH3+]CC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000420366417 389992561 /nfs/dbraw/zinc/99/25/61/389992561.db2.gz UNJBYRINSYAQKZ-UHFFFAOYSA-N 3 2 255.406 0.770 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C)C[C@H](C)O1 ZINC000420364931 389992665 /nfs/dbraw/zinc/99/26/65/389992665.db2.gz PORANJIEXHTYCS-GRYCIOLGSA-N 2 2 271.405 0.585 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC000420365177 389992761 /nfs/dbraw/zinc/99/27/61/389992761.db2.gz KWZTXAHTDCODMN-GYSYKLTISA-N 2 2 253.390 0.831 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)Nc1ccncc1 ZINC000420363825 389992915 /nfs/dbraw/zinc/99/29/15/389992915.db2.gz JXFIXLPDBAWTCN-SUNKGSAMSA-N 2 2 262.357 0.418 20 0 CCADLP C[N@H+](CC[NH3+])CCC(=O)NC(=O)Nc1ccccc1 ZINC000420367866 389993315 /nfs/dbraw/zinc/99/33/15/389993315.db2.gz AFKMLYDZYHJQBI-UHFFFAOYSA-N 2 2 264.329 0.615 20 0 CCADLP C[N@@H+](CC[NH3+])CCC(=O)NC(=O)Nc1ccccc1 ZINC000420367866 389993316 /nfs/dbraw/zinc/99/33/16/389993316.db2.gz AFKMLYDZYHJQBI-UHFFFAOYSA-N 2 2 264.329 0.615 20 0 CCADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)C(=O)NC(=O)NC1CC1 ZINC000420373570 389993889 /nfs/dbraw/zinc/99/38/89/389993889.db2.gz RIMBQIOCVIGHNF-MWGHHZFTSA-N 2 2 282.388 0.339 20 0 CCADLP C[C@H]([NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)C(=O)NC(=O)NC1CC1 ZINC000420373568 389994011 /nfs/dbraw/zinc/99/40/11/389994011.db2.gz RIMBQIOCVIGHNF-MIZYBKAJSA-N 2 2 282.388 0.339 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C[C@@H](C)O1 ZINC000420387904 389995700 /nfs/dbraw/zinc/99/57/00/389995700.db2.gz WJOVUBJRYJNFOY-FMKPAKJESA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C[C@@H](C)O1 ZINC000420387904 389995702 /nfs/dbraw/zinc/99/57/02/389995702.db2.gz WJOVUBJRYJNFOY-FMKPAKJESA-N 2 2 295.427 0.698 20 0 CCADLP C[NH2+]CCC[N@H+](C)[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000420392192 389996301 /nfs/dbraw/zinc/99/63/01/389996301.db2.gz UQVYPKZVNOWWGL-RYUDHWBXSA-N 2 2 257.378 0.211 20 0 CCADLP C[NH2+]CCC[N@@H+](C)[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000420392192 389996302 /nfs/dbraw/zinc/99/63/02/389996302.db2.gz UQVYPKZVNOWWGL-RYUDHWBXSA-N 2 2 257.378 0.211 20 0 CCADLP C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420403559 389997702 /nfs/dbraw/zinc/99/77/02/389997702.db2.gz LDRRXNGOCAKUKW-MXWKQRLJSA-N 2 2 293.419 0.328 20 0 CCADLP C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420403559 389997704 /nfs/dbraw/zinc/99/77/04/389997704.db2.gz LDRRXNGOCAKUKW-MXWKQRLJSA-N 2 2 293.419 0.328 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]CC[C@H]1CCOC1 ZINC000438217396 390003353 /nfs/dbraw/zinc/00/33/53/390003353.db2.gz RQBKLDLUAFXJLY-QWHCGFSZSA-N 2 2 269.389 0.342 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]CC[C@H]1CCOC1 ZINC000438217396 390003356 /nfs/dbraw/zinc/00/33/56/390003356.db2.gz RQBKLDLUAFXJLY-QWHCGFSZSA-N 2 2 269.389 0.342 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@H]1CCCC[NH+]1CCO ZINC000453259289 390009070 /nfs/dbraw/zinc/00/90/70/390009070.db2.gz ICYAXKSFOATNHC-RBSFLKMASA-N 2 2 269.433 0.763 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@H]1CCCC[NH+]1CCO ZINC000453259289 390009073 /nfs/dbraw/zinc/00/90/73/390009073.db2.gz ICYAXKSFOATNHC-RBSFLKMASA-N 2 2 269.433 0.763 20 0 CCADLP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@H]1CCCC[N@@H+]1CCO ZINC000453259289 390009075 /nfs/dbraw/zinc/00/90/75/390009075.db2.gz ICYAXKSFOATNHC-RBSFLKMASA-N 2 2 269.433 0.763 20 0 CCADLP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@H]1CCCC[N@H+]1CCO ZINC000453259289 390009077 /nfs/dbraw/zinc/00/90/77/390009077.db2.gz ICYAXKSFOATNHC-RBSFLKMASA-N 2 2 269.433 0.763 20 0 CCADLP C[C@H](C(=O)N(C)CCCn1cc[nH+]c1)N1CC[NH+](C)CC1 ZINC000488287251 390092570 /nfs/dbraw/zinc/09/25/70/390092570.db2.gz RFGGLPVCNLZQHT-CQSZACIVSA-N 2 2 293.415 0.368 20 0 CCADLP Cc1nc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)nc(N(C)C)[nH+]1 ZINC000488375435 390093382 /nfs/dbraw/zinc/09/33/82/390093382.db2.gz QUSNUVCSBLPUST-RYUDHWBXSA-N 2 2 276.388 0.707 20 0 CCADLP Cc1nc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)nc(N(C)C)[nH+]1 ZINC000488375435 390093383 /nfs/dbraw/zinc/09/33/83/390093383.db2.gz QUSNUVCSBLPUST-RYUDHWBXSA-N 2 2 276.388 0.707 20 0 CCADLP Cc1nc(N(C)C)nc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)[nH+]1 ZINC000488375435 390093384 /nfs/dbraw/zinc/09/33/84/390093384.db2.gz QUSNUVCSBLPUST-RYUDHWBXSA-N 2 2 276.388 0.707 20 0 CCADLP Cc1nc(N(C)C)nc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)[nH+]1 ZINC000488375435 390093385 /nfs/dbraw/zinc/09/33/85/390093385.db2.gz QUSNUVCSBLPUST-RYUDHWBXSA-N 2 2 276.388 0.707 20 0 CCADLP COc1c(C)[nH+]c(C2CC2)nc1NC[C@](C)(O)C[NH+](C)C ZINC000579534590 390182724 /nfs/dbraw/zinc/18/27/24/390182724.db2.gz BFMOZYSGGJKEDN-HNNXBMFYSA-N 2 2 294.399 0.817 20 0 CCADLP COC1(CCNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CCC1 ZINC000579572671 390185676 /nfs/dbraw/zinc/18/56/76/390185676.db2.gz LRIPJUTUYQUUFM-LBPRGKRZSA-N 2 2 284.404 0.230 20 0 CCADLP COC1(CCNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CCC1 ZINC000579572671 390185679 /nfs/dbraw/zinc/18/56/79/390185679.db2.gz LRIPJUTUYQUUFM-LBPRGKRZSA-N 2 2 284.404 0.230 20 0 CCADLP O=C(/C=C/c1[nH]cc[nH+]1)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000493294176 390122602 /nfs/dbraw/zinc/12/26/02/390122602.db2.gz MQYVFYOHQXCFQF-URWSZGRFSA-N 2 2 292.383 0.776 20 0 CCADLP O=C(/C=C/c1[nH]cc[nH+]1)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000493294176 390122603 /nfs/dbraw/zinc/12/26/03/390122603.db2.gz MQYVFYOHQXCFQF-URWSZGRFSA-N 2 2 292.383 0.776 20 0 CCADLP CC[N@@H+]1CC[C@H]2OCCN(C(=O)/C=C/c3[nH]cc[nH+]3)[C@H]2C1 ZINC000493483191 390126540 /nfs/dbraw/zinc/12/65/40/390126540.db2.gz KFJIGZSWAHANOK-HORCIZIBSA-N 2 2 290.367 0.745 20 0 CCADLP CC[N@H+]1CC[C@H]2OCCN(C(=O)/C=C/c3[nH]cc[nH+]3)[C@H]2C1 ZINC000493483191 390126541 /nfs/dbraw/zinc/12/65/41/390126541.db2.gz KFJIGZSWAHANOK-HORCIZIBSA-N 2 2 290.367 0.745 20 0 CCADLP C[C@@H](c1nnnn1C1CC1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000579593742 390189171 /nfs/dbraw/zinc/18/91/71/390189171.db2.gz QGXSOUXFVNTQEV-NSHDSACASA-N 2 2 294.403 0.899 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](CO)c1ccsc1 ZINC000579254198 390157350 /nfs/dbraw/zinc/15/73/50/390157350.db2.gz ALNYMFKSBZQRMC-NWDGAFQWSA-N 2 2 258.387 0.684 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](CO)c1ccsc1 ZINC000579254198 390157351 /nfs/dbraw/zinc/15/73/51/390157351.db2.gz ALNYMFKSBZQRMC-NWDGAFQWSA-N 2 2 258.387 0.684 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000536542012 390163468 /nfs/dbraw/zinc/16/34/68/390163468.db2.gz DPFIGPZZSXYJIP-SNVBAGLBSA-N 2 2 268.386 0.805 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000536542012 390163470 /nfs/dbraw/zinc/16/34/70/390163470.db2.gz DPFIGPZZSXYJIP-SNVBAGLBSA-N 2 2 268.386 0.805 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000579369782 390167944 /nfs/dbraw/zinc/16/79/44/390167944.db2.gz NFIFWILWBNYGJC-AWEZNQCLSA-N 2 2 285.432 0.489 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000579369782 390167948 /nfs/dbraw/zinc/16/79/48/390167948.db2.gz NFIFWILWBNYGJC-AWEZNQCLSA-N 2 2 285.432 0.489 20 0 CCADLP [NH3+][C@@H](C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)C1CCC1 ZINC000579469736 390175978 /nfs/dbraw/zinc/17/59/78/390175978.db2.gz NWCFTUAXBWZBAG-CYBMUJFWSA-N 2 2 277.372 0.181 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000647907936 390213371 /nfs/dbraw/zinc/21/33/71/390213371.db2.gz VIPRWJJXQKPEPA-AXFHLTTASA-N 3 2 279.388 0.823 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000647907936 390213373 /nfs/dbraw/zinc/21/33/73/390213373.db2.gz VIPRWJJXQKPEPA-AXFHLTTASA-N 3 2 279.388 0.823 20 0 CCADLP CC(C)NC(=O)C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000647908760 390214278 /nfs/dbraw/zinc/21/42/78/390214278.db2.gz CYMANZOAJSSAEQ-UHFFFAOYSA-N 2 2 271.405 0.336 20 0 CCADLP COc1c(O)cccc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000580096322 390221231 /nfs/dbraw/zinc/22/12/31/390221231.db2.gz BJAMUYFCLHAQKX-NWDGAFQWSA-N 2 2 291.351 0.145 20 0 CCADLP COc1c(O)cccc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000580096322 390221235 /nfs/dbraw/zinc/22/12/35/390221235.db2.gz BJAMUYFCLHAQKX-NWDGAFQWSA-N 2 2 291.351 0.145 20 0 CCADLP CN1CC[NH2+]C[C@@H]1CNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000580169858 390225504 /nfs/dbraw/zinc/22/55/04/390225504.db2.gz OAJROGYIIZDKJQ-GFCCVEGCSA-N 2 2 288.355 0.359 20 0 CCADLP C[N@H+](CCC[NH3+])CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000647849296 390191742 /nfs/dbraw/zinc/19/17/42/390191742.db2.gz OGXIFYIQJCTNEZ-LBPRGKRZSA-N 2 2 293.367 0.223 20 0 CCADLP C[N@@H+](CCC[NH3+])CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000647849296 390191745 /nfs/dbraw/zinc/19/17/45/390191745.db2.gz OGXIFYIQJCTNEZ-LBPRGKRZSA-N 2 2 293.367 0.223 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)CCC[NH3+])c1ccccc1 ZINC000647847328 390192038 /nfs/dbraw/zinc/19/20/38/390192038.db2.gz JORNXQATRZMIKD-OAHLLOKOSA-N 3 2 292.427 0.686 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)CCC[NH3+])c1ccccc1 ZINC000647847328 390192041 /nfs/dbraw/zinc/19/20/41/390192041.db2.gz JORNXQATRZMIKD-OAHLLOKOSA-N 3 2 292.427 0.686 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000494686193 390192847 /nfs/dbraw/zinc/19/28/47/390192847.db2.gz MYFSTNDDYFPKPR-IJLUTSLNSA-N 2 2 257.378 0.195 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC000580396454 390243164 /nfs/dbraw/zinc/24/31/64/390243164.db2.gz FFINVTWJVSBLTQ-AWEZNQCLSA-N 2 2 285.432 0.536 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC000580396454 390243170 /nfs/dbraw/zinc/24/31/70/390243170.db2.gz FFINVTWJVSBLTQ-AWEZNQCLSA-N 2 2 285.432 0.536 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](O)[C@@H]2CCCO2)n1C ZINC000527759223 285365983 /nfs/dbraw/zinc/36/59/83/285365983.db2.gz ZYGUGHIQABNCBN-RYUDHWBXSA-N 2 2 268.361 0.116 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCc2cscn2)C[C@@H](C)O1 ZINC000580769301 390247849 /nfs/dbraw/zinc/24/78/49/390247849.db2.gz KUEJEZUDNOUHDE-BZPMIXESSA-N 2 2 299.440 0.745 20 0 CCADLP O[C@H](CN[C@@H]1CC[N@@H+](C2CCCC2)C1)C[NH+]1CCOCC1 ZINC000644550015 390250778 /nfs/dbraw/zinc/25/07/78/390250778.db2.gz PSFZFOMIHXPIEH-GDBMZVCRSA-N 2 2 297.443 0.286 20 0 CCADLP O[C@H](CN[C@@H]1CC[N@H+](C2CCCC2)C1)C[NH+]1CCOCC1 ZINC000644550015 390250782 /nfs/dbraw/zinc/25/07/82/390250782.db2.gz PSFZFOMIHXPIEH-GDBMZVCRSA-N 2 2 297.443 0.286 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000543866235 390296866 /nfs/dbraw/zinc/29/68/66/390296866.db2.gz RIYKZWVAVJAXIF-GFCCVEGCSA-N 2 2 298.412 0.245 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC000543866235 390296869 /nfs/dbraw/zinc/29/68/69/390296869.db2.gz RIYKZWVAVJAXIF-GFCCVEGCSA-N 2 2 298.412 0.245 20 0 CCADLP CN1CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1=O ZINC000644572274 390256394 /nfs/dbraw/zinc/25/63/94/390256394.db2.gz YJDQFTFHXNXNMI-CABCVRRESA-N 2 2 291.395 0.300 20 0 CCADLP CN1CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1=O ZINC000644572274 390256397 /nfs/dbraw/zinc/25/63/97/390256397.db2.gz YJDQFTFHXNXNMI-CABCVRRESA-N 2 2 291.395 0.300 20 0 CCADLP CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)CC ZINC000582070192 390258409 /nfs/dbraw/zinc/25/84/09/390258409.db2.gz BTZFHRDKEVBVGI-KBPBESRZSA-N 2 2 285.432 0.632 20 0 CCADLP CCN(CC)C(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)CC ZINC000582070192 390258413 /nfs/dbraw/zinc/25/84/13/390258413.db2.gz BTZFHRDKEVBVGI-KBPBESRZSA-N 2 2 285.432 0.632 20 0 CCADLP CCN(CC)C(=O)[C@@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)CC ZINC000582070192 390258416 /nfs/dbraw/zinc/25/84/16/390258416.db2.gz BTZFHRDKEVBVGI-KBPBESRZSA-N 2 2 285.432 0.632 20 0 CCADLP CCN(CC)C(=O)[C@@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)CC ZINC000582070192 390258419 /nfs/dbraw/zinc/25/84/19/390258419.db2.gz BTZFHRDKEVBVGI-KBPBESRZSA-N 2 2 285.432 0.632 20 0 CCADLP CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H](C)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000542650329 390265722 /nfs/dbraw/zinc/26/57/22/390265722.db2.gz NOZIODRRMRZRFV-SOUVJXGZSA-N 2 2 296.459 0.563 20 0 CCADLP CC[N@H+]1C[C@H](C)N(C(=O)[C@@H](C)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000542650329 390265724 /nfs/dbraw/zinc/26/57/24/390265724.db2.gz NOZIODRRMRZRFV-SOUVJXGZSA-N 2 2 296.459 0.563 20 0 CCADLP CCn1c[nH+]cc1CN1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000648066942 390269516 /nfs/dbraw/zinc/26/95/16/390269516.db2.gz XDUWDGBYIALPDH-LBPRGKRZSA-N 2 2 279.388 0.455 20 0 CCADLP C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000543085652 390278301 /nfs/dbraw/zinc/27/83/01/390278301.db2.gz SCNBEUWALCNAQD-YNEHKIRRSA-N 2 2 292.383 0.678 20 0 CCADLP CC[C@H]1CN(CC[NH2+]Cc2c[nH+]c(C)n2C)CCO1 ZINC000583273841 390280465 /nfs/dbraw/zinc/28/04/65/390280465.db2.gz CVHKKDFFRJWBKJ-AWEZNQCLSA-N 2 2 266.389 0.929 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@H]2C[C@H]3CCCCN3C2=O)n1C ZINC000583452173 390286716 /nfs/dbraw/zinc/28/67/16/390286716.db2.gz VLXVSOBVSQANAR-YPMHNXCESA-N 2 2 262.357 0.972 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]C[C@H](O)CC(F)(F)F ZINC000583934882 390325753 /nfs/dbraw/zinc/32/57/53/390325753.db2.gz ZHRBTQONSXQQJZ-SECBINFHSA-N 2 2 258.284 0.204 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]C[C@H](O)CC(F)(F)F ZINC000583934882 390325756 /nfs/dbraw/zinc/32/57/56/390325756.db2.gz ZHRBTQONSXQQJZ-SECBINFHSA-N 2 2 258.284 0.204 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)N[C@H]2CCCC[NH2+]C2)CCO1 ZINC000584459593 390346407 /nfs/dbraw/zinc/34/64/07/390346407.db2.gz ZJDJGMNSWSLRBU-KBPBESRZSA-N 2 2 298.431 0.539 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)N[C@H]2CCCC[NH2+]C2)CCO1 ZINC000584459593 390346410 /nfs/dbraw/zinc/34/64/10/390346410.db2.gz ZJDJGMNSWSLRBU-KBPBESRZSA-N 2 2 298.431 0.539 20 0 CCADLP COC1(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000648780560 390407833 /nfs/dbraw/zinc/40/78/33/390407833.db2.gz PHHGOPYIGUHXIZ-GFCCVEGCSA-N 2 2 281.400 0.450 20 0 CCADLP COC1(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000648780560 390407835 /nfs/dbraw/zinc/40/78/35/390407835.db2.gz PHHGOPYIGUHXIZ-GFCCVEGCSA-N 2 2 281.400 0.450 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)C1 ZINC000554579893 390434873 /nfs/dbraw/zinc/43/48/73/390434873.db2.gz QHLSAEZIRHSNDB-KGLIPLIRSA-N 2 2 274.368 0.506 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)C1 ZINC000554579893 390434877 /nfs/dbraw/zinc/43/48/77/390434877.db2.gz QHLSAEZIRHSNDB-KGLIPLIRSA-N 2 2 274.368 0.506 20 0 CCADLP Cc1cccc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)c1F ZINC000648437260 390372396 /nfs/dbraw/zinc/37/23/96/390372396.db2.gz JBWIAZCONUCHQC-UHFFFAOYSA-N 2 2 279.359 0.998 20 0 CCADLP CC(C)(CNC(=O)[C@@H]1[NH2+]CC1(C)C)[NH+]1CCOCC1 ZINC000645152063 390378571 /nfs/dbraw/zinc/37/85/71/390378571.db2.gz DXHWBRRCLZNCJT-NSHDSACASA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(c2nc(N)[nH+]c3c2CCCC3)CC1 ZINC000645156285 390379813 /nfs/dbraw/zinc/37/98/13/390379813.db2.gz RUZZOSXVXKFQKP-LLVKDONJSA-N 2 2 291.399 0.271 20 0 CCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)Cc1c[nH+]cn1C ZINC000547539945 390382404 /nfs/dbraw/zinc/38/24/04/390382404.db2.gz UUUSFTHZFGJPLE-LBPRGKRZSA-N 2 2 264.373 0.953 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000554781488 390441221 /nfs/dbraw/zinc/44/12/21/390441221.db2.gz QDUQXHSULDZWKC-CQSZACIVSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[N@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000554781488 390441223 /nfs/dbraw/zinc/44/12/23/390441223.db2.gz QDUQXHSULDZWKC-CQSZACIVSA-N 2 2 297.443 0.944 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000517169624 390488768 /nfs/dbraw/zinc/48/87/68/390488768.db2.gz AJGVUBUENFLHEX-XQQFMLRXSA-N 2 2 292.370 0.903 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000517169624 390488774 /nfs/dbraw/zinc/48/87/74/390488774.db2.gz AJGVUBUENFLHEX-XQQFMLRXSA-N 2 2 292.370 0.903 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000517169624 390488778 /nfs/dbraw/zinc/48/87/78/390488778.db2.gz AJGVUBUENFLHEX-XQQFMLRXSA-N 2 2 292.370 0.903 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000517169624 390488782 /nfs/dbraw/zinc/48/87/82/390488782.db2.gz AJGVUBUENFLHEX-XQQFMLRXSA-N 2 2 292.370 0.903 20 0 CCADLP CC(C)CCCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000519357816 390495624 /nfs/dbraw/zinc/49/56/24/390495624.db2.gz ZDEXUETXZYHRCS-LBPRGKRZSA-N 2 2 256.394 0.707 20 0 CCADLP CC(C)CCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000519357816 390495627 /nfs/dbraw/zinc/49/56/27/390495627.db2.gz ZDEXUETXZYHRCS-LBPRGKRZSA-N 2 2 256.394 0.707 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000565398851 390509307 /nfs/dbraw/zinc/50/93/07/390509307.db2.gz NMIOXAQWIVISEP-CYBMUJFWSA-N 2 2 262.357 0.706 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000565398851 390509309 /nfs/dbraw/zinc/50/93/09/390509309.db2.gz NMIOXAQWIVISEP-CYBMUJFWSA-N 2 2 262.357 0.706 20 0 CCADLP COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)C2C[NH2+]C2)C1=O ZINC000643466622 390450269 /nfs/dbraw/zinc/45/02/69/390450269.db2.gz JBISMUDZFDROFT-AAEUAGOBSA-N 2 2 289.379 0.998 20 0 CCADLP OC[C@H]1CC[C@@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000643470981 390450598 /nfs/dbraw/zinc/45/05/98/390450598.db2.gz DGYGNXDEUSBGLY-FAAHXZRKSA-N 2 2 268.401 0.894 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000516633467 390483443 /nfs/dbraw/zinc/48/34/43/390483443.db2.gz GDMCHCQAHJRJJZ-GFCCVEGCSA-N 2 2 267.377 0.959 20 0 CCADLP CNC(=O)[C@]1(COC)CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000643829889 390578644 /nfs/dbraw/zinc/57/86/44/390578644.db2.gz PUITVHWXAHFCLS-CQSZACIVSA-N 2 2 280.372 0.190 20 0 CCADLP CNC(=O)[C@]1(COC)CCC[N@H+]1CCc1c[nH+]cn1C ZINC000643829889 390578646 /nfs/dbraw/zinc/57/86/46/390578646.db2.gz PUITVHWXAHFCLS-CQSZACIVSA-N 2 2 280.372 0.190 20 0 CCADLP COc1ccnc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000566103599 390578689 /nfs/dbraw/zinc/57/86/89/390578689.db2.gz BLNXBUVMEJMQNE-WDEREUQCSA-N 2 2 250.346 0.963 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@H]2CC2(C)C)C[C@H](C)O1 ZINC000520569061 390580720 /nfs/dbraw/zinc/58/07/20/390580720.db2.gz RIPOVTJWOJCBBC-XQHKEYJVSA-N 2 2 256.390 0.845 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@H]2CC2(C)C)C[C@H](C)O1 ZINC000520569061 390580722 /nfs/dbraw/zinc/58/07/22/390580722.db2.gz RIPOVTJWOJCBBC-XQHKEYJVSA-N 2 2 256.390 0.845 20 0 CCADLP O=C1C[C@H]([N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C(=O)N1 ZINC000520604856 390585159 /nfs/dbraw/zinc/58/51/59/390585159.db2.gz ZZSKJOOWSIMXLH-DRZSPHRISA-N 2 2 277.368 0.350 20 0 CCADLP O=C1C[C@H]([N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C(=O)N1 ZINC000520604856 390585160 /nfs/dbraw/zinc/58/51/60/390585160.db2.gz ZZSKJOOWSIMXLH-DRZSPHRISA-N 2 2 277.368 0.350 20 0 CCADLP O=C1C[C@H]([NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C(=O)N1 ZINC000520604856 390585164 /nfs/dbraw/zinc/58/51/64/390585164.db2.gz ZZSKJOOWSIMXLH-DRZSPHRISA-N 2 2 277.368 0.350 20 0 CCADLP O=C1C[C@H]([NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C(=O)N1 ZINC000520604856 390585169 /nfs/dbraw/zinc/58/51/69/390585169.db2.gz ZZSKJOOWSIMXLH-DRZSPHRISA-N 2 2 277.368 0.350 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCc2cccnc2)C[C@H](C)O1 ZINC000519639322 390521403 /nfs/dbraw/zinc/52/14/03/390521403.db2.gz NAEWAIWSQPMNTO-LZWOXQAQSA-N 2 2 293.411 0.684 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCc2cccnc2)C[C@H](C)O1 ZINC000519639322 390521408 /nfs/dbraw/zinc/52/14/08/390521408.db2.gz NAEWAIWSQPMNTO-LZWOXQAQSA-N 2 2 293.411 0.684 20 0 CCADLP CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649211159 390524522 /nfs/dbraw/zinc/52/45/22/390524522.db2.gz MYQNBUHEPIBNBC-CYBMUJFWSA-N 2 2 276.384 1.000 20 0 CCADLP Nc1cc[nH+]cc1C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000649278805 390545316 /nfs/dbraw/zinc/54/53/16/390545316.db2.gz CSMBQVXNMIOOMQ-GFCCVEGCSA-N 2 2 290.367 0.431 20 0 CCADLP COC[C@@]1(C(=O)NCc2ccc(N(C)C)[nH+]c2)CCC[NH2+]1 ZINC000649292926 390553105 /nfs/dbraw/zinc/55/31/05/390553105.db2.gz MCADUJNCDQHMAS-OAHLLOKOSA-N 2 2 292.383 0.532 20 0 CCADLP C[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000565892368 390556010 /nfs/dbraw/zinc/55/60/10/390556010.db2.gz FCYXZSMZPTYIOE-QMMMGPOBSA-N 2 2 296.293 0.058 20 0 CCADLP C[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000565892368 390556013 /nfs/dbraw/zinc/55/60/13/390556013.db2.gz FCYXZSMZPTYIOE-QMMMGPOBSA-N 2 2 296.293 0.058 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3[NH2+]CC3(C)C)C2)CC1 ZINC000645977671 390556138 /nfs/dbraw/zinc/55/61/38/390556138.db2.gz HWZNJBYXDZDTDH-GXTWGEPZSA-N 3 2 294.443 0.269 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3[NH2+]CC3(C)C)C2)CC1 ZINC000645977671 390556142 /nfs/dbraw/zinc/55/61/42/390556142.db2.gz HWZNJBYXDZDTDH-GXTWGEPZSA-N 3 2 294.443 0.269 20 0 CCADLP C[C@@H](CNC(=O)COC1(C)C[NH2+]C1)Cn1cc[nH+]c1 ZINC000649302547 390562981 /nfs/dbraw/zinc/56/29/81/390562981.db2.gz YLXNXGRJWGNWSL-NSHDSACASA-N 2 2 266.345 0.014 20 0 CCADLP O=C(C[NH2+]C1CC1)NCC[NH+]1Cc2ccccc2C1 ZINC000649306196 390566602 /nfs/dbraw/zinc/56/66/02/390566602.db2.gz FTHAJWLWYSAYRX-UHFFFAOYSA-N 2 2 259.353 0.870 20 0 CCADLP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000649312012 390570658 /nfs/dbraw/zinc/57/06/58/390570658.db2.gz CRWZIWDUXJOBOL-UTUOFQBUSA-N 2 2 260.341 0.866 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)C[C@@H]1C ZINC000646024836 390574945 /nfs/dbraw/zinc/57/49/45/390574945.db2.gz RPXCRBLXPLWCRR-RYUDHWBXSA-N 2 2 269.389 0.164 20 0 CCADLP COCC[N@H+]1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)C[C@@H]1C ZINC000646024836 390574950 /nfs/dbraw/zinc/57/49/50/390574950.db2.gz RPXCRBLXPLWCRR-RYUDHWBXSA-N 2 2 269.389 0.164 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3ccc(F)c(F)c3)CCN2C1=O ZINC000566490096 390621686 /nfs/dbraw/zinc/62/16/86/390621686.db2.gz CNJYPECWHLBBNC-GXFFZTMASA-N 2 2 281.306 0.709 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3ccc(F)c(F)c3)CCN2C1=O ZINC000566490096 390621692 /nfs/dbraw/zinc/62/16/92/390621692.db2.gz CNJYPECWHLBBNC-GXFFZTMASA-N 2 2 281.306 0.709 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000523117973 390633881 /nfs/dbraw/zinc/63/38/81/390633881.db2.gz FBIGUPLDXQHUMK-LLVKDONJSA-N 2 2 297.322 0.677 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@H](C)[NH+]2CC(C)C2)CC1 ZINC000566628617 390634957 /nfs/dbraw/zinc/63/49/57/390634957.db2.gz IIMIBUCSVBZIEA-KBPBESRZSA-N 2 2 283.416 0.242 20 0 CCADLP C[C@@H](C(=O)NCCCCn1cc[nH+]c1)N1CC[NH+](C)CC1 ZINC000523663000 390639472 /nfs/dbraw/zinc/63/94/72/390639472.db2.gz PPDRTZIIUSPLRN-AWEZNQCLSA-N 2 2 293.415 0.415 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)C[C@H]1CC[NH2+]C1 ZINC000646253011 390650127 /nfs/dbraw/zinc/65/01/27/390650127.db2.gz HNFDEWWOVSHXHQ-GFCCVEGCSA-N 2 2 250.346 0.731 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103516 390597614 /nfs/dbraw/zinc/59/76/14/390597614.db2.gz WQFZGFDPVUHUTG-LBPRGKRZSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103516 390597618 /nfs/dbraw/zinc/59/76/18/390597618.db2.gz WQFZGFDPVUHUTG-LBPRGKRZSA-N 2 2 281.400 0.450 20 0 CCADLP O[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2[NH2+]CCC2(O)CCC2)C1 ZINC000643959696 390607513 /nfs/dbraw/zinc/60/75/13/390607513.db2.gz DBKYXFQMAUXXJP-MCIONIFRSA-N 2 2 268.401 0.869 20 0 CCADLP O[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2[NH2+]CCC2(O)CCC2)C1 ZINC000643959696 390607517 /nfs/dbraw/zinc/60/75/17/390607517.db2.gz DBKYXFQMAUXXJP-MCIONIFRSA-N 2 2 268.401 0.869 20 0 CCADLP O[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2[NH2+]CCC2(O)CCC2)C1 ZINC000643959697 390607732 /nfs/dbraw/zinc/60/77/32/390607732.db2.gz DBKYXFQMAUXXJP-MJBXVCDLSA-N 2 2 268.401 0.869 20 0 CCADLP O[C@H]1CC[N@H+]([C@H]2CCC[C@H]2[NH2+]CCC2(O)CCC2)C1 ZINC000643959697 390607735 /nfs/dbraw/zinc/60/77/35/390607735.db2.gz DBKYXFQMAUXXJP-MJBXVCDLSA-N 2 2 268.401 0.869 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000566461702 390614795 /nfs/dbraw/zinc/61/47/95/390614795.db2.gz MZDOEVWRISCKQV-JSGCOSHPSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000646658904 390705229 /nfs/dbraw/zinc/70/52/29/390705229.db2.gz BFBPOACPPDJVDQ-SNVBAGLBSA-N 2 2 272.312 0.096 20 0 CCADLP CSC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000567613105 390706195 /nfs/dbraw/zinc/70/61/95/390706195.db2.gz NKRWTIYQYVRBOS-RYUDHWBXSA-N 2 2 262.419 0.147 20 0 CCADLP CSC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000567613105 390706197 /nfs/dbraw/zinc/70/61/97/390706197.db2.gz NKRWTIYQYVRBOS-RYUDHWBXSA-N 2 2 262.419 0.147 20 0 CCADLP Cc1[nH+]cc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)n1C ZINC000570816611 390720018 /nfs/dbraw/zinc/72/00/18/390720018.db2.gz RXGUZDUMIKUBBF-NEPJUHHUSA-N 2 2 253.346 0.463 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCc2ccccc2F)[C@H](C[NH3+])C1 ZINC000646835542 390726463 /nfs/dbraw/zinc/72/64/63/390726463.db2.gz BDWLKKAFPWUVRS-CYBMUJFWSA-N 2 2 279.359 0.860 20 0 CCADLP C[N@H+]1CCN(C(=O)CCc2ccccc2F)[C@H](C[NH3+])C1 ZINC000646835542 390726465 /nfs/dbraw/zinc/72/64/65/390726465.db2.gz BDWLKKAFPWUVRS-CYBMUJFWSA-N 2 2 279.359 0.860 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](n2cccn2)C1 ZINC000567246742 390682931 /nfs/dbraw/zinc/68/29/31/390682931.db2.gz TYALDYPPXBYMOC-ZIAGYGMSSA-N 2 2 282.388 0.069 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](n2cccn2)C1 ZINC000567246742 390682934 /nfs/dbraw/zinc/68/29/34/390682934.db2.gz TYALDYPPXBYMOC-ZIAGYGMSSA-N 2 2 282.388 0.069 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000567246742 390682937 /nfs/dbraw/zinc/68/29/37/390682937.db2.gz TYALDYPPXBYMOC-ZIAGYGMSSA-N 2 2 282.388 0.069 20 0 CCADLP CC[NH2+]CCCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000646625399 390701328 /nfs/dbraw/zinc/70/13/28/390701328.db2.gz BWQAOVMXPMISHC-UHFFFAOYSA-N 2 2 274.328 0.392 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCN1C(=O)NC2(CCCC2)C1=O ZINC000571753021 390750699 /nfs/dbraw/zinc/75/06/99/390750699.db2.gz KFSGZGAPDGJNII-VXGBXAGGSA-N 2 2 294.399 0.439 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000647064894 390768587 /nfs/dbraw/zinc/76/85/87/390768587.db2.gz YYZXYNQHFLPABI-YPMHNXCESA-N 2 2 257.353 0.631 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000647064894 390768589 /nfs/dbraw/zinc/76/85/89/390768589.db2.gz YYZXYNQHFLPABI-YPMHNXCESA-N 2 2 257.353 0.631 20 0 CCADLP COC[C@@H](O)C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528727484 390771532 /nfs/dbraw/zinc/77/15/32/390771532.db2.gz RNFDIHVVSUQQAJ-ZDUSSCGKSA-N 2 2 272.389 0.180 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@H]2CC[C@@H](C1)[S@]2=O)C1CC1 ZINC000528789666 390778808 /nfs/dbraw/zinc/77/88/08/390778808.db2.gz RUMNASXUKDLDSF-LJPSSGMGSA-N 2 2 286.441 0.427 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H]2CC[C@@H](C1)[S@]2=O)C1CC1 ZINC000528789666 390778811 /nfs/dbraw/zinc/77/88/11/390778811.db2.gz RUMNASXUKDLDSF-LJPSSGMGSA-N 2 2 286.441 0.427 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O)C1CC1 ZINC000528789666 390778812 /nfs/dbraw/zinc/77/88/12/390778812.db2.gz RUMNASXUKDLDSF-LJPSSGMGSA-N 2 2 286.441 0.427 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O)C1CC1 ZINC000528789666 390778814 /nfs/dbraw/zinc/77/88/14/390778814.db2.gz RUMNASXUKDLDSF-LJPSSGMGSA-N 2 2 286.441 0.427 20 0 CCADLP O=C(CCOC1C[NH2+]C1)NCCCCn1cc[nH+]c1 ZINC000572360459 390779400 /nfs/dbraw/zinc/77/94/00/390779400.db2.gz ZETKTCXDGWVOMF-UHFFFAOYSA-N 2 2 266.345 0.158 20 0 CCADLP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+](C)C)c1 ZINC000572404528 390781942 /nfs/dbraw/zinc/78/19/42/390781942.db2.gz NQPCDWPTRMIVDC-CABCVRRESA-N 2 2 296.411 0.555 20 0 CCADLP COc1ncncc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000647181528 390784015 /nfs/dbraw/zinc/78/40/15/390784015.db2.gz FPEFWXGYOBBXQB-NSHDSACASA-N 2 2 250.346 0.917 20 0 CCADLP COc1ncncc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000647181528 390784017 /nfs/dbraw/zinc/78/40/17/390784017.db2.gz FPEFWXGYOBBXQB-NSHDSACASA-N 2 2 250.346 0.917 20 0 CCADLP CC(C)Cn1nccc1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000647196211 390786101 /nfs/dbraw/zinc/78/61/01/390786101.db2.gz SWHQOJUSMXVIBQ-CQSZACIVSA-N 2 2 268.405 0.941 20 0 CCADLP Cc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1F ZINC000572705241 390797852 /nfs/dbraw/zinc/79/78/52/390797852.db2.gz ZWMGPNNOOSGGDK-ZDUSSCGKSA-N 2 2 294.374 0.918 20 0 CCADLP Cc1ccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1F ZINC000572705241 390797854 /nfs/dbraw/zinc/79/78/54/390797854.db2.gz ZWMGPNNOOSGGDK-ZDUSSCGKSA-N 2 2 294.374 0.918 20 0 CCADLP C[C@H](C[NH2+][C@@H](C)C(C)(C)C[NH+](C)C)S(C)(=O)=O ZINC000571515744 390738429 /nfs/dbraw/zinc/73/84/29/390738429.db2.gz AIBLTJBEIKNQAQ-MNOVXSKESA-N 2 2 264.435 0.985 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000646918363 390741095 /nfs/dbraw/zinc/74/10/95/390741095.db2.gz TVVMOGQYCUZCRG-AAEUAGOBSA-N 2 2 262.357 0.515 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000646918363 390741097 /nfs/dbraw/zinc/74/10/97/390741097.db2.gz TVVMOGQYCUZCRG-AAEUAGOBSA-N 2 2 262.357 0.515 20 0 CCADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1cccc(-n2ccnn2)c1 ZINC000571633616 390745435 /nfs/dbraw/zinc/74/54/35/390745435.db2.gz PGKPKSQFCXXFPH-SWLSCSKDSA-N 2 2 287.367 0.906 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@H]2CCCc3cccnc32)[C@@H](C[NH3+])C1 ZINC000571678525 390748385 /nfs/dbraw/zinc/74/83/85/390748385.db2.gz RFDMBKWKKHZJHS-KBPBESRZSA-N 2 2 288.395 0.603 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]2CCCc3cccnc32)[C@@H](C[NH3+])C1 ZINC000571678525 390748386 /nfs/dbraw/zinc/74/83/86/390748386.db2.gz RFDMBKWKKHZJHS-KBPBESRZSA-N 2 2 288.395 0.603 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC[C@H]2CCCOC2)[C@H](C[NH3+])C1 ZINC000529350586 390816409 /nfs/dbraw/zinc/81/64/09/390816409.db2.gz UJMPUJMJOWFNQG-CHWSQXEVSA-N 2 2 284.404 0.087 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC[C@H]2CCCOC2)[C@H](C[NH3+])C1 ZINC000529350586 390816412 /nfs/dbraw/zinc/81/64/12/390816412.db2.gz UJMPUJMJOWFNQG-CHWSQXEVSA-N 2 2 284.404 0.087 20 0 CCADLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)[C@H](O)C(F)(F)F ZINC000647515076 390827910 /nfs/dbraw/zinc/82/79/10/390827910.db2.gz ONUBCXIWXRGSEI-HGNGGELXSA-N 2 2 270.295 0.343 20 0 CCADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)[C@H](O)C(F)(F)F ZINC000647515076 390827911 /nfs/dbraw/zinc/82/79/11/390827911.db2.gz ONUBCXIWXRGSEI-HGNGGELXSA-N 2 2 270.295 0.343 20 0 CCADLP C[N@@H+]1CCN(C(=O)CNc2ccccc2)[C@H](C[NH3+])C1 ZINC000574974719 390828711 /nfs/dbraw/zinc/82/87/11/390828711.db2.gz NAOPUFLSLKCGRC-CYBMUJFWSA-N 2 2 262.357 0.200 20 0 CCADLP C[N@H+]1CCN(C(=O)CNc2ccccc2)[C@H](C[NH3+])C1 ZINC000574974719 390828713 /nfs/dbraw/zinc/82/87/13/390828713.db2.gz NAOPUFLSLKCGRC-CYBMUJFWSA-N 2 2 262.357 0.200 20 0 CCADLP C[C@H](C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)S(C)(=O)=O ZINC000575040293 390831154 /nfs/dbraw/zinc/83/11/54/390831154.db2.gz SQNQRLTWBMCEER-CHWSQXEVSA-N 2 2 292.445 0.510 20 0 CCADLP C[C@H](C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1)S(C)(=O)=O ZINC000575040293 390831157 /nfs/dbraw/zinc/83/11/57/390831157.db2.gz SQNQRLTWBMCEER-CHWSQXEVSA-N 2 2 292.445 0.510 20 0 CCADLP COC(=O)COC[C@@H](C)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000575130435 390833152 /nfs/dbraw/zinc/83/31/52/390833152.db2.gz CNWVFBXOYNRTKR-NWDGAFQWSA-N 2 2 258.362 0.496 20 0 CCADLP COC(=O)COC[C@@H](C)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000575130435 390833154 /nfs/dbraw/zinc/83/31/54/390833154.db2.gz CNWVFBXOYNRTKR-NWDGAFQWSA-N 2 2 258.362 0.496 20 0 CCADLP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000647552830 390840666 /nfs/dbraw/zinc/84/06/66/390840666.db2.gz ZONPHKYWHHEFCE-OLZOCXBDSA-N 3 2 292.431 0.444 20 0 CCADLP C[NH2+][C@@H](C)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000577886663 390851560 /nfs/dbraw/zinc/85/15/60/390851560.db2.gz RMUGVNWMJHOPIJ-NSHDSACASA-N 2 2 278.356 0.142 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCOC[C@H]1C1CCC1)C1CC1 ZINC000578440632 390884187 /nfs/dbraw/zinc/88/41/87/390884187.db2.gz CMVBDZTXGWPJLX-GJZGRUSLSA-N 2 2 268.401 0.942 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCOC[C@H]1C1CCC1)C1CC1 ZINC000578440632 390884189 /nfs/dbraw/zinc/88/41/89/390884189.db2.gz CMVBDZTXGWPJLX-GJZGRUSLSA-N 2 2 268.401 0.942 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCOC[C@H]1C1CCC1)C1CC1 ZINC000578440632 390884191 /nfs/dbraw/zinc/88/41/91/390884191.db2.gz CMVBDZTXGWPJLX-GJZGRUSLSA-N 2 2 268.401 0.942 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCOC[C@H]1C1CCC1)C1CC1 ZINC000578440632 390884192 /nfs/dbraw/zinc/88/41/92/390884192.db2.gz CMVBDZTXGWPJLX-GJZGRUSLSA-N 2 2 268.401 0.942 20 0 CCADLP COc1cc[nH+]cc1NC(=O)c1cn(CCC[NH3+])nn1 ZINC000578752055 390900362 /nfs/dbraw/zinc/90/03/62/390900362.db2.gz DFDZZRKHEYYJMX-UHFFFAOYSA-N 2 2 276.300 0.283 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1nnnn1-c1ccccc1 ZINC000578789300 390903137 /nfs/dbraw/zinc/90/31/37/390903137.db2.gz KRJNQJHRNDDNTI-TZMCWYRMSA-N 2 2 286.383 0.745 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1nnnn1-c1ccccc1 ZINC000578789300 390903140 /nfs/dbraw/zinc/90/31/40/390903140.db2.gz KRJNQJHRNDDNTI-TZMCWYRMSA-N 2 2 286.383 0.745 20 0 CCADLP CO[C@@H]1C[NH+](Cc2c[nH+]c(N(C)C)n2C)C[C@H]1OC ZINC000425335536 533479995 /nfs/dbraw/zinc/47/99/95/533479995.db2.gz IFOXGYUMCGOGCH-VXGBXAGGSA-N 2 2 268.361 0.332 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC[NH2+]1 ZINC000423626881 533633864 /nfs/dbraw/zinc/63/38/64/533633864.db2.gz SZBFVRLQLNWNQK-SNPRPXQTSA-N 2 2 295.427 0.744 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)CC[NH2+]1 ZINC000423626881 533633871 /nfs/dbraw/zinc/63/38/71/533633871.db2.gz SZBFVRLQLNWNQK-SNPRPXQTSA-N 2 2 295.427 0.744 20 0 CCADLP C[C@H](O)C[NH+]1CCN(Cc2cccc3[nH+]ccn32)CC1 ZINC000189852041 130030387 /nfs/dbraw/zinc/03/03/87/130030387.db2.gz OXGCFXMLUADAOW-ZDUSSCGKSA-N 2 2 274.368 0.833 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(=O)n4[nH]ccc4n3)C[C@@H]21 ZINC000342078167 130240178 /nfs/dbraw/zinc/24/01/78/130240178.db2.gz CDCZUFUGJBPSGD-KGYLQXTDSA-N 2 2 287.367 0.582 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(=O)n4[nH]ccc4n3)C[C@@H]21 ZINC000342078167 130240180 /nfs/dbraw/zinc/24/01/80/130240180.db2.gz CDCZUFUGJBPSGD-KGYLQXTDSA-N 2 2 287.367 0.582 20 0 CCADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000342097440 130258175 /nfs/dbraw/zinc/25/81/75/130258175.db2.gz HOSRLUMEYLVZBR-SNVBAGLBSA-N 2 2 290.367 0.584 20 0 CCADLP CN(C)S(=O)(=O)c1cccc(C[NH2+]CC2([NH3+])CCC2)c1 ZINC000342117270 130274333 /nfs/dbraw/zinc/27/43/33/130274333.db2.gz DELKWWFTXWNRLA-UHFFFAOYSA-N 2 2 297.424 0.908 20 0 CCADLP [NH3+]C1(C[NH2+]CC(=O)NC[C@@H]2Cc3ccccc3O2)CCC1 ZINC000342129770 130289560 /nfs/dbraw/zinc/28/95/60/130289560.db2.gz HIEPOARPEFPGLT-ZDUSSCGKSA-N 2 2 289.379 0.577 20 0 CCADLP [NH3+]C1(C[NH2+]CC(=O)NC(=O)Nc2ccccc2)CCC1 ZINC000342146521 130338410 /nfs/dbraw/zinc/33/84/10/130338410.db2.gz TVJRLEUOWASLCW-UHFFFAOYSA-N 2 2 276.340 0.806 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000192092017 130369091 /nfs/dbraw/zinc/36/90/91/130369091.db2.gz OHALDIMEXKEQJK-GHMZBOCLSA-N 2 2 260.341 0.976 20 0 CCADLP [NH3+]CCCC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000237922030 131065464 /nfs/dbraw/zinc/06/54/64/131065464.db2.gz FLDPSISQSJYVNL-OAHLLOKOSA-N 2 2 291.395 0.743 20 0 CCADLP [NH3+]CCCC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000237922030 131065465 /nfs/dbraw/zinc/06/54/65/131065465.db2.gz FLDPSISQSJYVNL-OAHLLOKOSA-N 2 2 291.395 0.743 20 0 CCADLP [NH3+]C1(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000237934703 131067485 /nfs/dbraw/zinc/06/74/85/131067485.db2.gz HYYUDYOQIIRKNR-UHFFFAOYSA-N 2 2 289.379 0.626 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000252549578 131136554 /nfs/dbraw/zinc/13/65/54/131136554.db2.gz NVHSKRDBPIFCJE-YNEHKIRRSA-N 2 2 269.389 0.341 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000252549578 131136556 /nfs/dbraw/zinc/13/65/56/131136556.db2.gz NVHSKRDBPIFCJE-YNEHKIRRSA-N 2 2 269.389 0.341 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000253248823 131141357 /nfs/dbraw/zinc/14/13/57/131141357.db2.gz UPGBBSYPTLOSCT-JVLSTEMRSA-N 2 2 292.383 0.569 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000261582511 131153893 /nfs/dbraw/zinc/15/38/93/131153893.db2.gz RHEPOBBODSEKQH-NWDGAFQWSA-N 2 2 250.346 0.920 20 0 CCADLP Cc1ccn2cc(CNC(=O)[C@@H]3CC[C@H](C[NH3+])O3)[nH+]c2c1 ZINC000261868388 131174249 /nfs/dbraw/zinc/17/42/49/131174249.db2.gz SSAGTUWRCGSRDZ-OLZOCXBDSA-N 2 2 288.351 0.765 20 0 CCADLP C[C@@H](C[NH3+])C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000262024036 131183904 /nfs/dbraw/zinc/18/39/04/131183904.db2.gz ARYHGJXQAXKXQZ-AWEZNQCLSA-N 2 2 291.395 0.804 20 0 CCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@H]1CCC[NH2+]1 ZINC000262507672 131227818 /nfs/dbraw/zinc/22/78/18/131227818.db2.gz ANQXLEOOQMSFSL-VXGBXAGGSA-N 2 2 260.341 0.529 20 0 CCADLP O=C(NCC[C@@H]1CC[NH2+]C1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000262577615 131235444 /nfs/dbraw/zinc/23/54/44/131235444.db2.gz LBXANGYPYKBUCU-LBPRGKRZSA-N 2 2 285.351 0.997 20 0 CCADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C[NH+](C)C ZINC000263904879 131357246 /nfs/dbraw/zinc/35/72/46/131357246.db2.gz ROZIPFNIRSBEOY-UHFFFAOYSA-N 2 2 273.340 0.754 20 0 CCADLP Cc1cc[nH+]c(N2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000268387313 132002020 /nfs/dbraw/zinc/00/20/20/132002020.db2.gz LDOFZPOKTSYLLF-UHFFFAOYSA-N 2 2 276.384 0.990 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cnccn1 ZINC000268920884 132088663 /nfs/dbraw/zinc/08/86/63/132088663.db2.gz OUWFQMKMLUXLSP-WCQYABFASA-N 2 2 277.372 0.467 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cnccn1 ZINC000268920884 132088665 /nfs/dbraw/zinc/08/86/65/132088665.db2.gz OUWFQMKMLUXLSP-WCQYABFASA-N 2 2 277.372 0.467 20 0 CCADLP NC(=O)NC(=O)OCCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000269138092 132119297 /nfs/dbraw/zinc/11/92/97/132119297.db2.gz WKHNPEUPSAXZKV-UHFFFAOYSA-N 2 2 295.343 0.784 20 0 CCADLP Cc1ccn2cc(CNC(=O)[C@@H]3CSC[NH2+]3)[nH+]c2c1 ZINC000269229079 132137216 /nfs/dbraw/zinc/13/72/16/132137216.db2.gz BPYMUPLNWFSSSL-NSHDSACASA-N 2 2 276.365 0.921 20 0 CCADLP O=C(NCc1cn2c([nH+]1)CCCC2)[C@H]1CSC[NH2+]1 ZINC000269256441 132143905 /nfs/dbraw/zinc/14/39/05/132143905.db2.gz SLYJZGGOWBNFQH-SNVBAGLBSA-N 2 2 266.370 0.498 20 0 CCADLP COC[C@H](CC1CCOCC1)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000657880095 413071770 /nfs/dbraw/zinc/07/17/70/413071770.db2.gz OHGSSIKJILBPQU-JKSUJKDBSA-N 2 2 299.459 0.654 20 0 CCADLP COC[C@H](CC1CCOCC1)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000657880095 413071772 /nfs/dbraw/zinc/07/17/72/413071772.db2.gz OHGSSIKJILBPQU-JKSUJKDBSA-N 2 2 299.459 0.654 20 0 CCADLP C[NH+](C)CCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000373718110 289117063 /nfs/dbraw/zinc/11/70/63/289117063.db2.gz BFZKDMAJCVZWIN-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+](C)CCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000373718110 289117070 /nfs/dbraw/zinc/11/70/70/289117070.db2.gz BFZKDMAJCVZWIN-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP [NH3+]C1(C(=O)N2CC[NH+](Cc3ccncc3)CC2)CCCC1 ZINC000037800390 397386327 /nfs/dbraw/zinc/38/63/27/397386327.db2.gz SNZKLFQRBPWOGL-UHFFFAOYSA-N 2 2 288.395 0.997 20 0 CCADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[NH+]2CCC1CC2 ZINC000356980763 144047569 /nfs/dbraw/zinc/04/75/69/144047569.db2.gz NEYQEMVPEJLKPP-LBPRGKRZSA-N 2 2 274.368 0.752 20 0 CCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1CCC[NH+]1CCOCC1 ZINC000357059827 144054975 /nfs/dbraw/zinc/05/49/75/144054975.db2.gz BCDUMESLZSYASG-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1CCC[NH+]1CCOCC1 ZINC000357059827 144054976 /nfs/dbraw/zinc/05/49/76/144054976.db2.gz BCDUMESLZSYASG-ZIAGYGMSSA-N 2 2 255.406 0.733 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000357243443 144073055 /nfs/dbraw/zinc/07/30/55/144073055.db2.gz ONPKWZBNKATALZ-BXUZGUMPSA-N 2 2 262.357 0.848 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000357243449 144073068 /nfs/dbraw/zinc/07/30/68/144073068.db2.gz ONPKWZBNKATALZ-SMDDNHRTSA-N 2 2 262.357 0.848 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC(C)(C)C[NH+](C)C ZINC000357353515 144084244 /nfs/dbraw/zinc/08/42/44/144084244.db2.gz GUDDCAIFKGCWLG-UHFFFAOYSA-N 2 2 252.362 0.965 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)NCC(C)(C)C[NH+](C)C ZINC000357353515 144084245 /nfs/dbraw/zinc/08/42/45/144084245.db2.gz GUDDCAIFKGCWLG-UHFFFAOYSA-N 2 2 252.362 0.965 20 0 CCADLP CC(C)CNC(=O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357642797 144107780 /nfs/dbraw/zinc/10/77/80/144107780.db2.gz CPHZKDGMLAIDSQ-UHFFFAOYSA-N 2 2 271.405 0.147 20 0 CCADLP CC(C)CNC(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357642797 144107783 /nfs/dbraw/zinc/10/77/83/144107783.db2.gz CPHZKDGMLAIDSQ-UHFFFAOYSA-N 2 2 271.405 0.147 20 0 CCADLP CCOCCOC[C@H](O)C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000357857701 144127202 /nfs/dbraw/zinc/12/72/02/144127202.db2.gz VOBXDGDRTDVWDZ-VNHYZAJKSA-N 2 2 286.416 0.615 20 0 CCADLP CCOCCOC[C@H](O)C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000357857701 144127204 /nfs/dbraw/zinc/12/72/04/144127204.db2.gz VOBXDGDRTDVWDZ-VNHYZAJKSA-N 2 2 286.416 0.615 20 0 CCADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000357905057 144131628 /nfs/dbraw/zinc/13/16/28/144131628.db2.gz CCMNMLKXYVUSJS-UONOGXRCSA-N 2 2 286.335 0.211 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C2CCN(C(=O)COC)CC2)C1 ZINC000358029845 144143608 /nfs/dbraw/zinc/14/36/08/144143608.db2.gz WSDWORISOHRLOZ-OCCSQVGLSA-N 2 2 283.416 0.554 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]C2CCN(C(=O)COC)CC2)C1 ZINC000358029845 144143609 /nfs/dbraw/zinc/14/36/09/144143609.db2.gz WSDWORISOHRLOZ-OCCSQVGLSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1cccc(C(N)=O)c1 ZINC000358098571 144152075 /nfs/dbraw/zinc/15/20/75/144152075.db2.gz POYFDVUPWCPIBW-SMDDNHRTSA-N 2 2 261.369 0.868 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1cccc(C(N)=O)c1 ZINC000358098571 144152073 /nfs/dbraw/zinc/15/20/73/144152073.db2.gz POYFDVUPWCPIBW-SMDDNHRTSA-N 2 2 261.369 0.868 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)c1ccc(C[NH3+])cc1 ZINC000358105126 144152613 /nfs/dbraw/zinc/15/26/13/144152613.db2.gz GUUWQYBXPBIORT-LBPRGKRZSA-N 2 2 277.368 0.596 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)c1ccc(C[NH3+])cc1 ZINC000358105126 144152614 /nfs/dbraw/zinc/15/26/14/144152614.db2.gz GUUWQYBXPBIORT-LBPRGKRZSA-N 2 2 277.368 0.596 20 0 CCADLP Cc1nc(N2CC[NH+](CC3CC3)CC2)nc(N(C)C)[nH+]1 ZINC000359175013 144199108 /nfs/dbraw/zinc/19/91/08/144199108.db2.gz XXHOUWYGUHVRCN-UHFFFAOYSA-N 2 2 276.388 0.778 20 0 CCADLP NC(=O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000368594968 144234463 /nfs/dbraw/zinc/23/44/63/144234463.db2.gz VIEFEPHWTDBIJR-HUUCEWRRSA-N 2 2 273.380 0.926 20 0 CCADLP NC(=O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000368594968 144234465 /nfs/dbraw/zinc/23/44/65/144234465.db2.gz VIEFEPHWTDBIJR-HUUCEWRRSA-N 2 2 273.380 0.926 20 0 CCADLP NC(=O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000368594968 144234467 /nfs/dbraw/zinc/23/44/67/144234467.db2.gz VIEFEPHWTDBIJR-HUUCEWRRSA-N 2 2 273.380 0.926 20 0 CCADLP NC(=O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000368594968 144234468 /nfs/dbraw/zinc/23/44/68/144234468.db2.gz VIEFEPHWTDBIJR-HUUCEWRRSA-N 2 2 273.380 0.926 20 0 CCADLP COCCCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369274446 144260846 /nfs/dbraw/zinc/26/08/46/144260846.db2.gz PGGLPLXDGKURJS-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP COCCCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369274446 144260848 /nfs/dbraw/zinc/26/08/48/144260848.db2.gz PGGLPLXDGKURJS-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369275236 144261101 /nfs/dbraw/zinc/26/11/01/144261101.db2.gz WSUWGIMRTLHSIB-YRGRVCCFSA-N 2 2 265.401 0.927 20 0 CCADLP C[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369275236 144261102 /nfs/dbraw/zinc/26/11/02/144261102.db2.gz WSUWGIMRTLHSIB-YRGRVCCFSA-N 2 2 265.401 0.927 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cn3cccn3)C2)CC1 ZINC000369275545 144261877 /nfs/dbraw/zinc/26/18/77/144261877.db2.gz BQVOGNKLKNEWLO-ZDUSSCGKSA-N 2 2 291.399 0.168 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cn3cccn3)C2)CC1 ZINC000369275545 144261879 /nfs/dbraw/zinc/26/18/79/144261879.db2.gz BQVOGNKLKNEWLO-ZDUSSCGKSA-N 2 2 291.399 0.168 20 0 CCADLP CCOCC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000369724298 144278311 /nfs/dbraw/zinc/27/83/11/144278311.db2.gz UYVXOZSRHHERGS-LSDHHAIUSA-N 2 2 286.416 0.428 20 0 CCADLP CCOCC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000369724298 144278312 /nfs/dbraw/zinc/27/83/12/144278312.db2.gz UYVXOZSRHHERGS-LSDHHAIUSA-N 2 2 286.416 0.428 20 0 CCADLP C[C@H]1C[N@H+](Cc2ccn(C)n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370705235 144312899 /nfs/dbraw/zinc/31/28/99/144312899.db2.gz FOHGSZWSFLJKAE-HOCLYGCPSA-N 2 2 291.443 0.878 20 0 CCADLP C[C@H]1C[N@@H+](Cc2ccn(C)n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370705235 144312900 /nfs/dbraw/zinc/31/29/00/144312900.db2.gz FOHGSZWSFLJKAE-HOCLYGCPSA-N 2 2 291.443 0.878 20 0 CCADLP CN(C(=O)C[NH+](C)C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371972445 144348542 /nfs/dbraw/zinc/34/85/42/144348542.db2.gz FACBIPCDMGMSNE-CQSZACIVSA-N 3 2 282.432 0.175 20 0 CCADLP CN(C(=O)C[NH+](C)C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371972445 144348543 /nfs/dbraw/zinc/34/85/43/144348543.db2.gz FACBIPCDMGMSNE-CQSZACIVSA-N 3 2 282.432 0.175 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000372843356 144382737 /nfs/dbraw/zinc/38/27/37/144382737.db2.gz UYLIJADFZFKIFM-ZDUSSCGKSA-N 2 2 280.372 0.452 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000372843356 144382739 /nfs/dbraw/zinc/38/27/39/144382739.db2.gz UYLIJADFZFKIFM-ZDUSSCGKSA-N 2 2 280.372 0.452 20 0 CCADLP CC[NH+](CC)CCC[C@@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000388677503 397507855 /nfs/dbraw/zinc/50/78/55/397507855.db2.gz RETMRWNRIAKZFI-SNVBAGLBSA-N 2 2 266.393 0.937 20 0 CCADLP CC[NH+](CC)CCC[C@@H](C)Nc1nc(N)nc(C)[nH+]1 ZINC000388677503 397507864 /nfs/dbraw/zinc/50/78/64/397507864.db2.gz RETMRWNRIAKZFI-SNVBAGLBSA-N 2 2 266.393 0.937 20 0 CCADLP COCc1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)o1 ZINC000394486799 397516971 /nfs/dbraw/zinc/51/69/71/397516971.db2.gz VKCNCHDHZKOEAQ-CYBMUJFWSA-N 2 2 279.384 0.906 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H](CC)CO1 ZINC000649722991 397660418 /nfs/dbraw/zinc/66/04/18/397660418.db2.gz WZFOBGPXTCAREF-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H](CC)CO1 ZINC000649722991 397660419 /nfs/dbraw/zinc/66/04/19/397660419.db2.gz WZFOBGPXTCAREF-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)NCc2cccnc2)CC[C@@H]1[NH3+] ZINC000649416764 397609651 /nfs/dbraw/zinc/60/96/51/397609651.db2.gz LKSYYIFCPWAENZ-KGLIPLIRSA-N 2 2 276.384 0.757 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)NCc2cccnc2)CC[C@@H]1[NH3+] ZINC000649416764 397609653 /nfs/dbraw/zinc/60/96/53/397609653.db2.gz LKSYYIFCPWAENZ-KGLIPLIRSA-N 2 2 276.384 0.757 20 0 CCADLP C[C@@H](CNc1nc(N2CCOCC2)cc[nH+]1)[NH+](C)C ZINC000649469697 397616596 /nfs/dbraw/zinc/61/65/96/397616596.db2.gz ZIPAJYTVOQFFCV-NSHDSACASA-N 2 2 265.361 0.675 20 0 CCADLP CCCCNC(=O)C[NH+]1CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000649475147 397616963 /nfs/dbraw/zinc/61/69/63/397616963.db2.gz NMQQAWIYRHTSLK-OAHLLOKOSA-N 2 2 296.459 0.615 20 0 CCADLP CCCCNC(=O)C[NH+]1CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000649475147 397616967 /nfs/dbraw/zinc/61/69/67/397616967.db2.gz NMQQAWIYRHTSLK-OAHLLOKOSA-N 2 2 296.459 0.615 20 0 CCADLP C[C@@H](CC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)n1cc[nH+]c1 ZINC000649850777 397673783 /nfs/dbraw/zinc/67/37/83/397673783.db2.gz AJVUWQYOMFXMSL-AVGNSLFASA-N 2 2 280.372 0.670 20 0 CCADLP C[C@@H](CC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)n1cc[nH+]c1 ZINC000649850777 397673784 /nfs/dbraw/zinc/67/37/84/397673784.db2.gz AJVUWQYOMFXMSL-AVGNSLFASA-N 2 2 280.372 0.670 20 0 CCADLP COCCOCC[NH+]1CCN(CCn2cc[nH+]c2C)CC1 ZINC000649896278 397681398 /nfs/dbraw/zinc/68/13/98/397681398.db2.gz HSIAYUNJVXVIRK-UHFFFAOYSA-N 2 2 296.415 0.472 20 0 CCADLP COCCOCCN1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000649896278 397681401 /nfs/dbraw/zinc/68/14/01/397681401.db2.gz HSIAYUNJVXVIRK-UHFFFAOYSA-N 2 2 296.415 0.472 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650107419 397696539 /nfs/dbraw/zinc/69/65/39/397696539.db2.gz ONDJKBTZKFKVQD-GFCCVEGCSA-N 2 2 276.340 0.095 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650107419 397696543 /nfs/dbraw/zinc/69/65/43/397696543.db2.gz ONDJKBTZKFKVQD-GFCCVEGCSA-N 2 2 276.340 0.095 20 0 CCADLP CC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccncc1 ZINC000651208619 397852616 /nfs/dbraw/zinc/85/26/16/397852616.db2.gz LHDUDLDRGMXMLB-CQSZACIVSA-N 2 2 276.384 0.896 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)C[NH+]1CCCC1 ZINC000547863910 285984339 /nfs/dbraw/zinc/98/43/39/285984339.db2.gz UPIOVNOLIAWKLS-GFCCVEGCSA-N 2 2 264.373 0.811 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114479260 286069259 /nfs/dbraw/zinc/06/92/59/286069259.db2.gz YZLBYDKEZVXUTG-UONOGXRCSA-N 2 2 285.432 0.801 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114479260 286069260 /nfs/dbraw/zinc/06/92/60/286069260.db2.gz YZLBYDKEZVXUTG-UONOGXRCSA-N 2 2 285.432 0.801 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000550712405 286111318 /nfs/dbraw/zinc/11/13/18/286111318.db2.gz LNXWIZLFECGPQU-LVQVYYBASA-N 2 2 297.443 0.237 20 0 CCADLP O=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CC[NH+]2CCC1CC2 ZINC000551647691 286122513 /nfs/dbraw/zinc/12/25/13/286122513.db2.gz DNTKNHMODGWCSR-GFCCVEGCSA-N 2 2 289.383 0.688 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000552981486 286176881 /nfs/dbraw/zinc/17/68/81/286176881.db2.gz SZKQQOZHYSGAIX-OLZOCXBDSA-N 2 2 269.389 0.164 20 0 CCADLP CCO[C@@H]1C[C@H]([NH2+]CC[N@H+](CC)CCO)[C@@H]1SC ZINC000459541416 286386578 /nfs/dbraw/zinc/38/65/78/286386578.db2.gz WIELMOAPYGLZPE-XQQFMLRXSA-N 2 2 276.446 0.799 20 0 CCADLP CCO[C@@H]1C[C@H]([NH2+]CC[N@@H+](CC)CCO)[C@@H]1SC ZINC000459541416 286386579 /nfs/dbraw/zinc/38/65/79/286386579.db2.gz WIELMOAPYGLZPE-XQQFMLRXSA-N 2 2 276.446 0.799 20 0 CCADLP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422850705 286443190 /nfs/dbraw/zinc/44/31/90/286443190.db2.gz DITWGKKOZGETII-BZUAXINKSA-N 3 2 299.459 0.700 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCNC(=O)c1ccco1 ZINC000422801101 533676788 /nfs/dbraw/zinc/67/67/88/533676788.db2.gz DOINITCATRZFFY-WDEREUQCSA-N 2 2 251.330 0.597 20 0 CCADLP C[C@@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)[C@H]1CCC[NH2+]1 ZINC000333246037 287067647 /nfs/dbraw/zinc/06/76/47/287067647.db2.gz FSZNXIMWUXCLGI-GRYCIOLGSA-N 2 2 275.418 0.141 20 0 CCADLP C[C@@H](O)C[N@H+](C)C1CC[NH+]([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000361400930 287082189 /nfs/dbraw/zinc/08/21/89/287082189.db2.gz TWEKCLFQDAFJGG-DOMZBBRYSA-N 2 2 295.427 0.527 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+]([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000361400930 287082191 /nfs/dbraw/zinc/08/21/91/287082191.db2.gz TWEKCLFQDAFJGG-DOMZBBRYSA-N 2 2 295.427 0.527 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCCC[NH+](C)C ZINC000042921750 411626008 /nfs/dbraw/zinc/62/60/08/411626008.db2.gz VWNLNXYRALSZSL-NSHDSACASA-N 2 2 253.350 0.523 20 0 CCADLP CN(C)c1ccc(CNC(=O)NCCC[NH+](C)C)c[nH+]1 ZINC000042922341 411626568 /nfs/dbraw/zinc/62/65/68/411626568.db2.gz OZQGWNOQSBWNGR-UHFFFAOYSA-N 2 2 279.388 0.899 20 0 CCADLP O=C(C[C@@H]1CCC[NH2+]1)NCCCCn1cc[nH+]c1 ZINC000045109236 411635603 /nfs/dbraw/zinc/63/56/03/411635603.db2.gz VZQBWVRYSKJJIA-LBPRGKRZSA-N 2 2 250.346 0.922 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N1CC[NH+](CC)CC1 ZINC000202415147 411733453 /nfs/dbraw/zinc/73/34/53/411733453.db2.gz RPFWVQNCNXYDLJ-UHFFFAOYSA-N 2 2 277.434 0.296 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400968122 411780216 /nfs/dbraw/zinc/78/02/16/411780216.db2.gz OWLXZZDRXPBSDH-GBJTYRQASA-N 3 2 266.433 0.210 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400968122 411780217 /nfs/dbraw/zinc/78/02/17/411780217.db2.gz OWLXZZDRXPBSDH-GBJTYRQASA-N 3 2 266.433 0.210 20 0 CCADLP C[C@@H]1CCC[N@H+](Cc2nnnn2C2CC2)[C@@H]1CC[NH3+] ZINC000404411507 411795005 /nfs/dbraw/zinc/79/50/05/411795005.db2.gz XUJIXNTXLIBENA-ZYHUDNBSSA-N 2 2 264.377 0.957 20 0 CCADLP C[C@@H]1CCC[N@@H+](Cc2nnnn2C2CC2)[C@@H]1CC[NH3+] ZINC000404411507 411795008 /nfs/dbraw/zinc/79/50/08/411795008.db2.gz XUJIXNTXLIBENA-ZYHUDNBSSA-N 2 2 264.377 0.957 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cnnn2-c2ccccc2)C1 ZINC000651762541 411930142 /nfs/dbraw/zinc/93/01/42/411930142.db2.gz AZXGTRCEYGVWFN-HNNXBMFYSA-N 2 2 287.367 0.424 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cnnn2-c2ccccc2)C1 ZINC000651762541 411930147 /nfs/dbraw/zinc/93/01/47/411930147.db2.gz AZXGTRCEYGVWFN-HNNXBMFYSA-N 2 2 287.367 0.424 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000651921068 411962060 /nfs/dbraw/zinc/96/20/60/411962060.db2.gz ROWFOZMYCZDMHU-NQBHXWOUSA-N 2 2 287.429 0.093 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000651921068 411962064 /nfs/dbraw/zinc/96/20/64/411962064.db2.gz ROWFOZMYCZDMHU-NQBHXWOUSA-N 2 2 287.429 0.093 20 0 CCADLP C[C@@H](COCC1CC1)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000652306673 412024513 /nfs/dbraw/zinc/02/45/13/412024513.db2.gz ZQUJOMAXZOQEOK-WCQYABFASA-N 2 2 284.404 0.086 20 0 CCADLP C[C@@H](COCC1CC1)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000652306673 412024515 /nfs/dbraw/zinc/02/45/15/412024515.db2.gz ZQUJOMAXZOQEOK-WCQYABFASA-N 2 2 284.404 0.086 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000652339604 412031455 /nfs/dbraw/zinc/03/14/55/412031455.db2.gz CHUQRJADAWJAMR-MJBXVCDLSA-N 3 2 255.406 0.421 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000652339604 412031456 /nfs/dbraw/zinc/03/14/56/412031456.db2.gz CHUQRJADAWJAMR-MJBXVCDLSA-N 3 2 255.406 0.421 20 0 CCADLP C[C@H]1CCC[N@H+](Cc2nc(=O)n(C)[nH]2)[C@@H]1CC[NH3+] ZINC000652356158 412035891 /nfs/dbraw/zinc/03/58/91/412035891.db2.gz USGZKQPZWNAFAG-VHSXEESVSA-N 2 2 253.350 0.058 20 0 CCADLP C[C@H]1CCC[N@@H+](Cc2nc(=O)n(C)[nH]2)[C@@H]1CC[NH3+] ZINC000652356158 412035896 /nfs/dbraw/zinc/03/58/96/412035896.db2.gz USGZKQPZWNAFAG-VHSXEESVSA-N 2 2 253.350 0.058 20 0 CCADLP CN(CC[NH+]1CCCCC1)C(=O)Cc1c[nH+]cn1C ZINC000652991488 412186218 /nfs/dbraw/zinc/18/62/18/412186218.db2.gz DQQRMDQHKMKEEK-UHFFFAOYSA-N 2 2 264.373 0.907 20 0 CCADLP C[NH2+][C@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000653047635 412200242 /nfs/dbraw/zinc/20/02/42/412200242.db2.gz DRZBCEHJFXLVNQ-LBPRGKRZSA-N 2 2 276.384 0.972 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000653050688 412201668 /nfs/dbraw/zinc/20/16/68/412201668.db2.gz MHGJUQBBRGTNNY-AWEZNQCLSA-N 3 2 276.384 0.550 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCOc1ccccc1 ZINC000653058818 412205118 /nfs/dbraw/zinc/20/51/18/412205118.db2.gz HGYPDQZCOAKZQJ-ZDUSSCGKSA-N 2 2 265.357 0.461 20 0 CCADLP CN(Cc1ccsc1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653061670 412206007 /nfs/dbraw/zinc/20/60/07/412206007.db2.gz YDUNJIQTEGGYKJ-LLVKDONJSA-N 2 2 255.387 0.986 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H]1COc2ccccc2C1 ZINC000653072863 412208957 /nfs/dbraw/zinc/20/89/57/412208957.db2.gz IOPYGKKLUHBMTF-CHWSQXEVSA-N 2 2 277.368 0.385 20 0 CCADLP C[C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)Oc1ccccc1 ZINC000653074046 412210794 /nfs/dbraw/zinc/21/07/94/412210794.db2.gz XLRABTZPLNPZIC-OCCSQVGLSA-N 2 2 279.384 0.849 20 0 CCADLP CN(C)C(=O)C1(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)CCCC1 ZINC000653090650 412213730 /nfs/dbraw/zinc/21/37/30/412213730.db2.gz WRRDUWXKMPGCFC-GFCCVEGCSA-N 2 2 298.431 0.030 20 0 CCADLP CCC(CC)[C@@H](O)CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653089644 412213879 /nfs/dbraw/zinc/21/38/79/412213879.db2.gz ORQMEMMWWLNQEU-NEPJUHHUSA-N 2 2 259.394 0.179 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC000652927008 412167292 /nfs/dbraw/zinc/16/72/92/412167292.db2.gz VHTXELJTRLUJED-UHFFFAOYSA-N 2 2 294.399 0.830 20 0 CCADLP COCC[N@H+]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C1 ZINC000652927008 412167296 /nfs/dbraw/zinc/16/72/96/412167296.db2.gz VHTXELJTRLUJED-UHFFFAOYSA-N 2 2 294.399 0.830 20 0 CCADLP CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653090666 412214217 /nfs/dbraw/zinc/21/42/17/412214217.db2.gz XNYAAEDOZBAMSV-AGIUHOORSA-N 2 2 298.431 0.029 20 0 CCADLP COC1CCC(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653092075 412216283 /nfs/dbraw/zinc/21/62/83/412216283.db2.gz QRUMIMRHVRXOTO-BPCQOVAHSA-N 2 2 271.405 0.587 20 0 CCADLP CC[NH+](CC)CCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653105163 412220450 /nfs/dbraw/zinc/22/04/50/412220450.db2.gz ISUMNHKIKLUSJN-LBPRGKRZSA-N 3 2 258.410 0.114 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000653109824 412221715 /nfs/dbraw/zinc/22/17/15/412221715.db2.gz OKINUMWQXABJQQ-CHWSQXEVSA-N 3 2 298.456 0.746 20 0 CCADLP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653109520 412222780 /nfs/dbraw/zinc/22/27/80/412222780.db2.gz DJVAIAVQYZMKMW-STQMWFEESA-N 3 2 270.421 0.256 20 0 CCADLP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653109520 412222782 /nfs/dbraw/zinc/22/27/82/412222782.db2.gz DJVAIAVQYZMKMW-STQMWFEESA-N 3 2 270.421 0.256 20 0 CCADLP CC1CC[NH+](CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653109823 412222810 /nfs/dbraw/zinc/22/28/10/412222810.db2.gz OKHDQIGWAPWFEY-ZDUSSCGKSA-N 3 2 270.421 0.114 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653109644 412222918 /nfs/dbraw/zinc/22/29/18/412222918.db2.gz IJRVUTUXJKLNQD-QWHCGFSZSA-N 2 2 269.389 0.213 20 0 CCADLP Cc1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c(C)n1 ZINC000653111596 412224591 /nfs/dbraw/zinc/22/45/91/412224591.db2.gz UJTFUOVMAYHIHZ-LLVKDONJSA-N 2 2 250.346 0.916 20 0 CCADLP Cc1noc2ncc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc12 ZINC000653116294 412225570 /nfs/dbraw/zinc/22/55/70/412225570.db2.gz BAMMRHODIXNNOK-NSHDSACASA-N 2 2 277.328 0.749 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653114070 412225773 /nfs/dbraw/zinc/22/57/73/412225773.db2.gz XCWYQIOUQZSAKZ-KGLIPLIRSA-N 3 2 284.448 0.502 20 0 CCADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653114070 412225776 /nfs/dbraw/zinc/22/57/76/412225776.db2.gz XCWYQIOUQZSAKZ-KGLIPLIRSA-N 3 2 284.448 0.502 20 0 CCADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653113131 412226572 /nfs/dbraw/zinc/22/65/72/412226572.db2.gz UFTSNAMLAYLAGR-MGPQQGTHSA-N 3 2 284.448 0.502 20 0 CCADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653113131 412226576 /nfs/dbraw/zinc/22/65/76/412226576.db2.gz UFTSNAMLAYLAGR-MGPQQGTHSA-N 3 2 284.448 0.502 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000653121017 412230314 /nfs/dbraw/zinc/23/03/14/412230314.db2.gz KSQAXQNWSTUUKK-HUUCEWRRSA-N 3 2 296.459 0.742 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000653122357 412232927 /nfs/dbraw/zinc/23/29/27/412232927.db2.gz UTWSWJRLGSETBK-HUUCEWRRSA-N 3 2 296.459 0.600 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1ccc2c(c1)CCCN2 ZINC000653144337 412240820 /nfs/dbraw/zinc/24/08/20/412240820.db2.gz OZPHYRLKANWFLN-CQSZACIVSA-N 2 2 290.411 0.940 20 0 CCADLP Cc1csc([C@@H](C)CNC(=O)[C@H]([NH3+])CC[NH+](C)C)n1 ZINC000653151393 412243776 /nfs/dbraw/zinc/24/37/76/412243776.db2.gz FQRZLZPGSNDXIX-GXSJLCMTSA-N 2 2 284.429 0.950 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC([C@H]2CCCO2)CC1 ZINC000653150729 412244197 /nfs/dbraw/zinc/24/41/97/412244197.db2.gz MWRZXKJJSPXSMD-ZIAGYGMSSA-N 2 2 283.416 0.683 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000653167881 412249343 /nfs/dbraw/zinc/24/93/43/412249343.db2.gz IAUYXCWACUNRMS-RYUDHWBXSA-N 3 2 268.405 0.056 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC(C2CCOCC2)CC1 ZINC000653167559 412250052 /nfs/dbraw/zinc/25/00/52/412250052.db2.gz ZEKJDZFTMLDWRR-OAHLLOKOSA-N 2 2 297.443 0.931 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCOCC12CCC2 ZINC000653168943 412250612 /nfs/dbraw/zinc/25/06/12/412250612.db2.gz UVZCDOYUVRTLBH-NSHDSACASA-N 2 2 255.362 0.047 20 0 CCADLP O=C1NCC[NH2+][C@@H]1c1ccccc1C1=CC[NH2+]CC1 ZINC000653510304 412309863 /nfs/dbraw/zinc/30/98/63/412309863.db2.gz XCZZNWMXNUIKOT-CQSZACIVSA-N 2 2 257.337 0.824 20 0 CCADLP Cn1cc(N2CC[NH+](CCCc3c[nH+]cn3C)CC2)cn1 ZINC000653563040 412319157 /nfs/dbraw/zinc/31/91/57/412319157.db2.gz WEJPHRSZMOCLSX-UHFFFAOYSA-N 2 2 288.399 0.908 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cnccc1C ZINC000653612389 412324539 /nfs/dbraw/zinc/32/45/39/412324539.db2.gz NTZFGPOBEULBGZ-KBPBESRZSA-N 2 2 281.400 0.980 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCCC[C@@H]1CCO ZINC000653664519 412333056 /nfs/dbraw/zinc/33/30/56/412333056.db2.gz CLBHYYOEUVZJCX-CABCVRRESA-N 2 2 288.432 0.553 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCCC[C@@H]1CCO ZINC000653664519 412333059 /nfs/dbraw/zinc/33/30/59/412333059.db2.gz CLBHYYOEUVZJCX-CABCVRRESA-N 2 2 288.432 0.553 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCCC[C@@H]1CCO ZINC000653664519 412333061 /nfs/dbraw/zinc/33/30/61/412333061.db2.gz CLBHYYOEUVZJCX-CABCVRRESA-N 2 2 288.432 0.553 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCCC[C@@H]1CCO ZINC000653664519 412333064 /nfs/dbraw/zinc/33/30/64/412333064.db2.gz CLBHYYOEUVZJCX-CABCVRRESA-N 2 2 288.432 0.553 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CN1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000653720805 412339293 /nfs/dbraw/zinc/33/92/93/412339293.db2.gz GAZYZEPXMCFVQW-HUUCEWRRSA-N 2 2 267.417 0.877 20 0 CCADLP C[N@H+]1CCC[C@@H]1CN1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000653720805 412339296 /nfs/dbraw/zinc/33/92/96/412339296.db2.gz GAZYZEPXMCFVQW-HUUCEWRRSA-N 2 2 267.417 0.877 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccc(C)cn1 ZINC000653731255 412340449 /nfs/dbraw/zinc/34/04/49/412340449.db2.gz AFSVTPCKKNBPJO-OAHLLOKOSA-N 2 2 281.400 0.761 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccc(C)cn1 ZINC000653731255 412340452 /nfs/dbraw/zinc/34/04/52/412340452.db2.gz AFSVTPCKKNBPJO-OAHLLOKOSA-N 2 2 281.400 0.761 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccc(C)cn1 ZINC000653731255 412340454 /nfs/dbraw/zinc/34/04/54/412340454.db2.gz AFSVTPCKKNBPJO-OAHLLOKOSA-N 2 2 281.400 0.761 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccc(C)cn1 ZINC000653731255 412340457 /nfs/dbraw/zinc/34/04/57/412340457.db2.gz AFSVTPCKKNBPJO-OAHLLOKOSA-N 2 2 281.400 0.761 20 0 CCADLP CC[C@](C)(CO)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000654782173 412438844 /nfs/dbraw/zinc/43/88/44/412438844.db2.gz LRLUGRXYSGIPKN-MRXNPFEDSA-N 2 2 299.459 0.879 20 0 CCADLP CC[C@](C)(CO)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000654782173 412438846 /nfs/dbraw/zinc/43/88/46/412438846.db2.gz LRLUGRXYSGIPKN-MRXNPFEDSA-N 2 2 299.459 0.879 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000654890434 412448505 /nfs/dbraw/zinc/44/85/05/412448505.db2.gz VZSXGOXNLWELKF-KGLIPLIRSA-N 2 2 281.400 0.261 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000654890434 412448507 /nfs/dbraw/zinc/44/85/07/412448507.db2.gz VZSXGOXNLWELKF-KGLIPLIRSA-N 2 2 281.400 0.261 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000655016757 412462183 /nfs/dbraw/zinc/46/21/83/412462183.db2.gz HUVGXWKKDQDDMX-LBPRGKRZSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000655016757 412462185 /nfs/dbraw/zinc/46/21/85/412462185.db2.gz HUVGXWKKDQDDMX-LBPRGKRZSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000655016757 412462186 /nfs/dbraw/zinc/46/21/86/412462186.db2.gz HUVGXWKKDQDDMX-LBPRGKRZSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000655016757 412462194 /nfs/dbraw/zinc/46/21/94/412462194.db2.gz HUVGXWKKDQDDMX-LBPRGKRZSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000655105309 412478945 /nfs/dbraw/zinc/47/89/45/412478945.db2.gz VZYCITOGZBJZPO-WZRBSPASSA-N 2 2 262.357 0.751 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000655105309 412478949 /nfs/dbraw/zinc/47/89/49/412478949.db2.gz VZYCITOGZBJZPO-WZRBSPASSA-N 2 2 262.357 0.751 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000659435173 413496865 /nfs/dbraw/zinc/49/68/65/413496865.db2.gz VFCNVMIVDFCVMW-JTQLQIEISA-N 2 2 265.361 0.555 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N1CC2CC1(C[NH3+])C2)[NH+]1CCOCC1 ZINC000659450129 413509121 /nfs/dbraw/zinc/50/91/21/413509121.db2.gz HVPGYSFMYYQHKK-HJZMNPPUSA-N 2 2 296.415 0.228 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000659484234 413541382 /nfs/dbraw/zinc/54/13/82/413541382.db2.gz QQKKBVBCWLYEIQ-NXEZZACHSA-N 2 2 251.334 0.105 20 0 CCADLP [NH3+]C1(CNC(=O)NCC2([NH+]3CCOCC3)CC2)CCCC1 ZINC000659486839 413543291 /nfs/dbraw/zinc/54/32/91/413543291.db2.gz JRKDFUJINLTHQS-UHFFFAOYSA-N 2 2 296.415 0.422 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CC3CC2(C[NH3+])C3)c1 ZINC000659503006 413557461 /nfs/dbraw/zinc/55/74/61/413557461.db2.gz MYZCHMDEUPQEHB-UHFFFAOYSA-N 2 2 263.345 0.095 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659515243 413578874 /nfs/dbraw/zinc/57/88/74/413578874.db2.gz BGILSQUTKRRMET-QWHCGFSZSA-N 2 2 284.404 0.086 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC[C@@]2(C)CC2(F)F)[C@@H](C[NH3+])C1 ZINC000659602664 413684836 /nfs/dbraw/zinc/68/48/36/413684836.db2.gz IXRPGTMQCYQWFF-JQWIXIFHSA-N 2 2 290.358 0.706 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC[C@@]2(C)CC2(F)F)[C@@H](C[NH3+])C1 ZINC000659602664 413684843 /nfs/dbraw/zinc/68/48/43/413684843.db2.gz IXRPGTMQCYQWFF-JQWIXIFHSA-N 2 2 290.358 0.706 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CN(C(=O)N[C@@H](C)c2[nH+]ccn2C)CCO1 ZINC000659626338 413723293 /nfs/dbraw/zinc/72/32/93/413723293.db2.gz APKFUTOYQJQJHZ-OUAUKWLOSA-N 2 2 281.360 0.239 20 0 CCADLP C[C@H](NC(=O)N1CC[NH2+][C@@H](C)[C@H]1C)c1[nH+]ccn1C ZINC000659628275 413725007 /nfs/dbraw/zinc/72/50/07/413725007.db2.gz NZPBMKNZAMZUOJ-GARJFASQSA-N 2 2 265.361 0.873 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+]([C@@H]2COC(C)(C)C2)CC1 ZINC000659838528 413907417 /nfs/dbraw/zinc/90/74/17/413907417.db2.gz NAYBZYGWOHQAEQ-LBPRGKRZSA-N 2 2 269.389 0.260 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](N2CCCC2=O)C1 ZINC000659917550 413968013 /nfs/dbraw/zinc/96/80/13/413968013.db2.gz AWNQMUFYYMEITF-LSDHHAIUSA-N 2 2 297.443 0.774 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](N2CCCC2=O)C1 ZINC000659917550 413968024 /nfs/dbraw/zinc/96/80/24/413968024.db2.gz AWNQMUFYYMEITF-LSDHHAIUSA-N 2 2 297.443 0.774 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000659917550 413968032 /nfs/dbraw/zinc/96/80/32/413968032.db2.gz AWNQMUFYYMEITF-LSDHHAIUSA-N 2 2 297.443 0.774 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000659917550 413968041 /nfs/dbraw/zinc/96/80/41/413968041.db2.gz AWNQMUFYYMEITF-LSDHHAIUSA-N 2 2 297.443 0.774 20 0 CCADLP CC(C)[NH2+][C@@H]1CCC[N@H+](C[C@]2(O)CCCOC2)C1 ZINC000660068262 414087314 /nfs/dbraw/zinc/08/73/14/414087314.db2.gz BKXJCUJZKSMJNK-ZIAGYGMSSA-N 2 2 256.390 0.990 20 0 CCADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](C[C@]2(O)CCCOC2)C1 ZINC000660068262 414087326 /nfs/dbraw/zinc/08/73/26/414087326.db2.gz BKXJCUJZKSMJNK-ZIAGYGMSSA-N 2 2 256.390 0.990 20 0 CCADLP Cc1nc(N2CC[NH+](C[C@H]3CNC(=O)C3)CC2)cc[nH+]1 ZINC000660279627 414223175 /nfs/dbraw/zinc/22/31/75/414223175.db2.gz GXQLCOSHDAPYHJ-GFCCVEGCSA-N 2 2 275.356 0.043 20 0 CCADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2cn[nH]c2)CC1 ZINC000660165130 414177382 /nfs/dbraw/zinc/17/73/82/414177382.db2.gz QEJFPDNMFTYPCT-UHFFFAOYSA-N 2 2 280.372 0.069 20 0 CCADLP COCCO[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000660372674 414268132 /nfs/dbraw/zinc/26/81/32/414268132.db2.gz OCUOKIGOTJYCSE-KGLIPLIRSA-N 2 2 274.405 0.425 20 0 CCADLP COCCO[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000660372674 414268139 /nfs/dbraw/zinc/26/81/39/414268139.db2.gz OCUOKIGOTJYCSE-KGLIPLIRSA-N 2 2 274.405 0.425 20 0 CCADLP COCCO[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000660372674 414268149 /nfs/dbraw/zinc/26/81/49/414268149.db2.gz OCUOKIGOTJYCSE-KGLIPLIRSA-N 2 2 274.405 0.425 20 0 CCADLP COCCO[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000660372674 414268161 /nfs/dbraw/zinc/26/81/61/414268161.db2.gz OCUOKIGOTJYCSE-KGLIPLIRSA-N 2 2 274.405 0.425 20 0 CCADLP O=C1C[C@@H](C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)CN1 ZINC000660485309 414354770 /nfs/dbraw/zinc/35/47/70/414354770.db2.gz VFPDQDYXWFSAQW-ZIAGYGMSSA-N 2 2 281.400 0.167 20 0 CCADLP O=C1C[C@@H](C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)CN1 ZINC000660485309 414354776 /nfs/dbraw/zinc/35/47/76/414354776.db2.gz VFPDQDYXWFSAQW-ZIAGYGMSSA-N 2 2 281.400 0.167 20 0 CCADLP COC[C@@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)OC ZINC000660483051 414355634 /nfs/dbraw/zinc/35/56/34/414355634.db2.gz KQERFOILXSXIOL-LSDHHAIUSA-N 2 2 286.416 0.692 20 0 CCADLP COC[C@@H](C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1)OC ZINC000660483051 414355640 /nfs/dbraw/zinc/35/56/40/414355640.db2.gz KQERFOILXSXIOL-LSDHHAIUSA-N 2 2 286.416 0.692 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)NCCCCn1cc[nH+]c1 ZINC000660438420 414317873 /nfs/dbraw/zinc/31/78/73/414317873.db2.gz VMQZNYGOFPVBJH-UHFFFAOYSA-N 2 2 279.388 0.866 20 0 CCADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](C[C@]2(O)CCCOC2)CC1 ZINC000660590637 414407521 /nfs/dbraw/zinc/40/75/21/414407521.db2.gz PQNYUUYNVBYKRH-GDBMZVCRSA-N 2 2 298.427 0.713 20 0 CCADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](C[C@]2(O)CCCOC2)CC1 ZINC000660590637 414407522 /nfs/dbraw/zinc/40/75/22/414407522.db2.gz PQNYUUYNVBYKRH-GDBMZVCRSA-N 2 2 298.427 0.713 20 0 CCADLP CC(C)C[NH2+]C1(CO)CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000660699423 414448071 /nfs/dbraw/zinc/44/80/71/414448071.db2.gz WONSFRUNQOCVDK-UHFFFAOYSA-N 2 2 266.389 0.982 20 0 CCADLP CC(C)C[NH2+]C1(CO)CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000660699423 414448075 /nfs/dbraw/zinc/44/80/75/414448075.db2.gz WONSFRUNQOCVDK-UHFFFAOYSA-N 2 2 266.389 0.982 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000660847406 414506140 /nfs/dbraw/zinc/50/61/40/414506140.db2.gz PMJKFEBBXMOGAB-NSHDSACASA-N 2 2 265.361 0.893 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000660847406 414506143 /nfs/dbraw/zinc/50/61/43/414506143.db2.gz PMJKFEBBXMOGAB-NSHDSACASA-N 2 2 265.361 0.893 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000660847406 414506146 /nfs/dbraw/zinc/50/61/46/414506146.db2.gz PMJKFEBBXMOGAB-NSHDSACASA-N 2 2 265.361 0.893 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000660847406 414506150 /nfs/dbraw/zinc/50/61/50/414506150.db2.gz PMJKFEBBXMOGAB-NSHDSACASA-N 2 2 265.361 0.893 20 0 CCADLP CCC(CC)NC(=O)[C@H](C)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031576 174025639 /nfs/dbraw/zinc/02/56/39/174025639.db2.gz ASMKUIYMPGRGNC-LBPRGKRZSA-N 2 2 298.431 0.043 20 0 CCADLP CCC(CC)NC(=O)[C@H](C)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031576 174025640 /nfs/dbraw/zinc/02/56/40/174025640.db2.gz ASMKUIYMPGRGNC-LBPRGKRZSA-N 2 2 298.431 0.043 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H]2NC(=O)CC[C@H]2C1)C1CC1 ZINC000661597290 414647155 /nfs/dbraw/zinc/64/71/55/414647155.db2.gz PHUQTFKAIGEJLS-UBHSHLNASA-N 2 2 281.400 0.042 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H]2NC(=O)CC[C@H]2C1)C1CC1 ZINC000661597290 414647158 /nfs/dbraw/zinc/64/71/58/414647158.db2.gz PHUQTFKAIGEJLS-UBHSHLNASA-N 2 2 281.400 0.042 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1)C1CC1 ZINC000661597290 414647160 /nfs/dbraw/zinc/64/71/60/414647160.db2.gz PHUQTFKAIGEJLS-UBHSHLNASA-N 2 2 281.400 0.042 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1)C1CC1 ZINC000661597290 414647163 /nfs/dbraw/zinc/64/71/63/414647163.db2.gz PHUQTFKAIGEJLS-UBHSHLNASA-N 2 2 281.400 0.042 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040601435 174351666 /nfs/dbraw/zinc/35/16/66/174351666.db2.gz OBSAGELUQIAOTE-GHMZBOCLSA-N 2 2 270.377 0.152 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040601435 174351668 /nfs/dbraw/zinc/35/16/68/174351668.db2.gz OBSAGELUQIAOTE-GHMZBOCLSA-N 2 2 270.377 0.152 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000662261308 414701975 /nfs/dbraw/zinc/70/19/75/414701975.db2.gz HIUXTQUKHIFMIH-STQMWFEESA-N 2 2 291.399 0.392 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000662261308 414701976 /nfs/dbraw/zinc/70/19/76/414701976.db2.gz HIUXTQUKHIFMIH-STQMWFEESA-N 2 2 291.399 0.392 20 0 CCADLP C([C@H]1C[NH2+]CCO1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000662262510 414702266 /nfs/dbraw/zinc/70/22/66/414702266.db2.gz VUQLAHSWQMXBDO-HUUCEWRRSA-N 2 2 283.416 0.162 20 0 CCADLP C([C@H]1CCCC[N@@H+]1C[C@H]1C[NH2+]CCO1)N1CCOCC1 ZINC000662262510 414702267 /nfs/dbraw/zinc/70/22/67/414702267.db2.gz VUQLAHSWQMXBDO-HUUCEWRRSA-N 2 2 283.416 0.162 20 0 CCADLP C([C@H]1CCCC[N@H+]1C[C@H]1C[NH2+]CCO1)N1CCOCC1 ZINC000662262510 414702268 /nfs/dbraw/zinc/70/22/68/414702268.db2.gz VUQLAHSWQMXBDO-HUUCEWRRSA-N 2 2 283.416 0.162 20 0 CCADLP Cc1nc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)co1 ZINC000662266176 414703320 /nfs/dbraw/zinc/70/33/20/414703320.db2.gz KDJRNHHWPIKBLT-ZDUSSCGKSA-N 2 2 278.356 0.379 20 0 CCADLP Cc1nc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)co1 ZINC000662266176 414703321 /nfs/dbraw/zinc/70/33/21/414703321.db2.gz KDJRNHHWPIKBLT-ZDUSSCGKSA-N 2 2 278.356 0.379 20 0 CCADLP CNS(=O)(=O)c1ccc(C[NH+]2CCC(C)([NH3+])CC2)cc1 ZINC000662270390 414703771 /nfs/dbraw/zinc/70/37/71/414703771.db2.gz KFVPUKDHMWVRLF-UHFFFAOYSA-N 2 2 297.424 0.908 20 0 CCADLP C[N@H+](CC(=O)NCC(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746874 174392194 /nfs/dbraw/zinc/39/21/94/174392194.db2.gz WQWUMMHBSUIGLI-ULKQDVFKSA-N 2 2 279.306 0.880 20 0 CCADLP C[N@@H+](CC(=O)NCC(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746874 174392196 /nfs/dbraw/zinc/39/21/96/174392196.db2.gz WQWUMMHBSUIGLI-ULKQDVFKSA-N 2 2 279.306 0.880 20 0 CCADLP C[N@H+](CC(=O)NCC1CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746939 174392368 /nfs/dbraw/zinc/39/23/68/174392368.db2.gz KEMWGMBDTRBQTL-FUNVUKJBSA-N 2 2 251.374 0.727 20 0 CCADLP C[N@@H+](CC(=O)NCC1CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746939 174392369 /nfs/dbraw/zinc/39/23/69/174392369.db2.gz KEMWGMBDTRBQTL-FUNVUKJBSA-N 2 2 251.374 0.727 20 0 CCADLP Cc1nnc([C@@H](C)[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)[nH]1 ZINC000662282732 414705610 /nfs/dbraw/zinc/70/56/10/414705610.db2.gz QIYZWCOVTCMRIL-BXKDBHETSA-N 2 2 290.375 0.561 20 0 CCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)Nc1ccc(F)cc1F ZINC000662286685 414706549 /nfs/dbraw/zinc/70/65/49/414706549.db2.gz XBFFXTSZNBPXOH-UHFFFAOYSA-N 2 2 299.321 0.607 20 0 CCADLP Cc1ccccc1CNC(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662286025 414706805 /nfs/dbraw/zinc/70/68/05/414706805.db2.gz PRHIJEMJCBXTCT-UHFFFAOYSA-N 2 2 291.395 0.315 20 0 CCADLP CC1CCC(N(C)C(=O)C[NH2+]C2(CO)CC[NH2+]CC2)CC1 ZINC000662286300 414706893 /nfs/dbraw/zinc/70/68/93/414706893.db2.gz YSRSCTSXSPJAOU-UHFFFAOYSA-N 2 2 297.443 0.728 20 0 CCADLP CC(C)([NH3+])c1noc(CN2CC[NH+]([C@H]3CCOC3)CC2)n1 ZINC000662307481 414708471 /nfs/dbraw/zinc/70/84/71/414708471.db2.gz WHAYMCVHPQDJEQ-NSHDSACASA-N 2 2 295.387 0.170 20 0 CCADLP C[NH+](C)CCC[C@@H]1C[N@H+](CC(=O)NC2CC2)CCO1 ZINC000662315482 414708648 /nfs/dbraw/zinc/70/86/48/414708648.db2.gz GAZJPHBMDUQDMG-CYBMUJFWSA-N 2 2 269.389 0.308 20 0 CCADLP C[NH+](C)CCC[C@@H]1C[N@@H+](CC(=O)NC2CC2)CCO1 ZINC000662315482 414708649 /nfs/dbraw/zinc/70/86/49/414708649.db2.gz GAZJPHBMDUQDMG-CYBMUJFWSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662316599 414709008 /nfs/dbraw/zinc/70/90/08/414709008.db2.gz JTLDESRRISFYET-QWHCGFSZSA-N 2 2 271.405 0.506 20 0 CCADLP C[C@@H](C(=O)N(C)C)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662316599 414709009 /nfs/dbraw/zinc/70/90/09/414709009.db2.gz JTLDESRRISFYET-QWHCGFSZSA-N 2 2 271.405 0.506 20 0 CCADLP C[NH+](C)CCC[C@@H]1CN(Cc2[nH]cc[nH+]2)CCO1 ZINC000662320106 414709306 /nfs/dbraw/zinc/70/93/06/414709306.db2.gz PWXPCKWRWMVBEI-GFCCVEGCSA-N 2 2 252.362 0.952 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662009584 414686528 /nfs/dbraw/zinc/68/65/28/414686528.db2.gz YCKSTFRDDVZZHY-ZDUSSCGKSA-N 2 2 279.388 0.879 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662009584 414686529 /nfs/dbraw/zinc/68/65/29/414686529.db2.gz YCKSTFRDDVZZHY-ZDUSSCGKSA-N 2 2 279.388 0.879 20 0 CCADLP CCn1nccc1CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662152683 414693466 /nfs/dbraw/zinc/69/34/66/414693466.db2.gz XGQVGQQENXXRLJ-INIZCTEOSA-N 2 2 292.427 0.977 20 0 CCADLP CCn1nccc1CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662152683 414693467 /nfs/dbraw/zinc/69/34/67/414693467.db2.gz XGQVGQQENXXRLJ-INIZCTEOSA-N 2 2 292.427 0.977 20 0 CCADLP O[C@H]1CC[N@@H+](C2CC[NH+](CCc3cn[nH]c3)CC2)C1 ZINC000662152775 414694032 /nfs/dbraw/zinc/69/40/32/414694032.db2.gz ZQMBMJBOZPRXAT-AWEZNQCLSA-N 2 2 264.373 0.483 20 0 CCADLP O[C@H]1CC[N@H+](C2CC[NH+](CCc3cn[nH]c3)CC2)C1 ZINC000662152775 414694033 /nfs/dbraw/zinc/69/40/33/414694033.db2.gz ZQMBMJBOZPRXAT-AWEZNQCLSA-N 2 2 264.373 0.483 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2coc(S(N)(=O)=O)c2)C1 ZINC000662244046 414698915 /nfs/dbraw/zinc/69/89/15/414698915.db2.gz FVJNINHADVFHSW-KOLCDFICSA-N 2 2 287.385 0.486 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2coc(S(N)(=O)=O)c2)C1 ZINC000662244046 414698916 /nfs/dbraw/zinc/69/89/16/414698916.db2.gz FVJNINHADVFHSW-KOLCDFICSA-N 2 2 287.385 0.486 20 0 CCADLP Oc1ccc2c(c1)CC[N@@H+](C[C@H]1C[NH2+]CCO1)CC2 ZINC000662253742 414700237 /nfs/dbraw/zinc/70/02/37/414700237.db2.gz KFMSLPNEHWRHPJ-OAHLLOKOSA-N 2 2 262.353 0.781 20 0 CCADLP Oc1ccc2c(c1)CC[N@H+](C[C@H]1C[NH2+]CCO1)CC2 ZINC000662253742 414700238 /nfs/dbraw/zinc/70/02/38/414700238.db2.gz KFMSLPNEHWRHPJ-OAHLLOKOSA-N 2 2 262.353 0.781 20 0 CCADLP C(OC1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1)C1CC1 ZINC000662256291 414700571 /nfs/dbraw/zinc/70/05/71/414700571.db2.gz IANIUTSCFPNEER-AWEZNQCLSA-N 2 2 254.374 0.866 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)ccn12 ZINC000662775797 414783539 /nfs/dbraw/zinc/78/35/39/414783539.db2.gz YETKVDSLKKRGDV-BETUJISGSA-N 2 2 270.336 0.934 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)ccn12 ZINC000662779027 414785787 /nfs/dbraw/zinc/78/57/87/414785787.db2.gz LAZAAELCSFCIKJ-PJXYFTJBSA-N 2 2 256.309 0.590 20 0 CCADLP CC(C)[NH2+]CC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000662443543 414718807 /nfs/dbraw/zinc/71/88/07/414718807.db2.gz QBHGDMGMVGNWNX-UHFFFAOYSA-N 2 2 257.378 0.211 20 0 CCADLP CC(C)[NH2+]CC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000662443543 414718808 /nfs/dbraw/zinc/71/88/08/414718808.db2.gz QBHGDMGMVGNWNX-UHFFFAOYSA-N 2 2 257.378 0.211 20 0 CCADLP C[NH2+][C@@H](C)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000662529661 414725757 /nfs/dbraw/zinc/72/57/57/414725757.db2.gz FOGGKXPPBMCESC-YNEHKIRRSA-N 2 2 269.389 0.354 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000662630943 414734965 /nfs/dbraw/zinc/73/49/65/414734965.db2.gz JCOCNFYSNCWTJD-UONOGXRCSA-N 3 2 284.448 0.504 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000662630943 414734966 /nfs/dbraw/zinc/73/49/66/414734966.db2.gz JCOCNFYSNCWTJD-UONOGXRCSA-N 3 2 284.448 0.504 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C[NH2+]CC1CC1 ZINC000662631178 414734990 /nfs/dbraw/zinc/73/49/90/414734990.db2.gz PRFXNGUESBDHCB-NEPJUHHUSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C[NH2+]CC1CC1 ZINC000662631178 414734991 /nfs/dbraw/zinc/73/49/91/414734991.db2.gz PRFXNGUESBDHCB-NEPJUHHUSA-N 2 2 269.389 0.211 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CC1(C[NH3+])CC1 ZINC000662630631 414735085 /nfs/dbraw/zinc/73/50/85/414735085.db2.gz GUKMSRMQSFRVRS-UHFFFAOYSA-N 3 2 270.421 0.115 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CC1(C[NH3+])CC1 ZINC000662630631 414735086 /nfs/dbraw/zinc/73/50/86/414735086.db2.gz GUKMSRMQSFRVRS-UHFFFAOYSA-N 3 2 270.421 0.115 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C)[C@H](C)[NH3+] ZINC000662632524 414735519 /nfs/dbraw/zinc/73/55/19/414735519.db2.gz DJSZZEDODVNPRG-YIYPIFLZSA-N 2 2 285.432 0.831 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C)[C@H](C)[NH3+] ZINC000662632524 414735520 /nfs/dbraw/zinc/73/55/20/414735520.db2.gz DJSZZEDODVNPRG-YIYPIFLZSA-N 2 2 285.432 0.831 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000662635031 414735893 /nfs/dbraw/zinc/73/58/93/414735893.db2.gz UGDOSEPYXSBVRH-SRVKXCTJSA-N 2 2 257.378 0.210 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000662635031 414735894 /nfs/dbraw/zinc/73/58/94/414735894.db2.gz UGDOSEPYXSBVRH-SRVKXCTJSA-N 2 2 257.378 0.210 20 0 CCADLP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662657214 414737807 /nfs/dbraw/zinc/73/78/07/414737807.db2.gz XUEDBCRMUDPBNS-FMKPAKJESA-N 2 2 295.427 0.827 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H]1CCc2cc(N)ccc21 ZINC000662670125 414739634 /nfs/dbraw/zinc/73/96/34/414739634.db2.gz DSMLQWGNWGBZKB-KGLIPLIRSA-N 2 2 276.384 0.651 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@H]1C(C)(C)C1(F)F ZINC000662705691 414744015 /nfs/dbraw/zinc/74/40/15/414744015.db2.gz QQMXORNFBWTCKB-BDAKNGLRSA-N 2 2 263.332 0.673 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2[NH2+]CCC2(C)C)[C@H](C)CO1 ZINC000662859462 414852965 /nfs/dbraw/zinc/85/29/65/414852965.db2.gz NCRRLFWXVIQGFD-JHJVBQTASA-N 2 2 283.416 0.600 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2[NH2+]CCC2(C)C)[C@H](C)CO1 ZINC000662859462 414852970 /nfs/dbraw/zinc/85/29/70/414852970.db2.gz NCRRLFWXVIQGFD-JHJVBQTASA-N 2 2 283.416 0.600 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccnn1C(C)(C)C ZINC000662937798 414905696 /nfs/dbraw/zinc/90/56/96/414905696.db2.gz QGNVZZOMQRRPMR-JTQLQIEISA-N 2 2 267.377 0.856 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000662973308 414928335 /nfs/dbraw/zinc/92/83/35/414928335.db2.gz YIGGJAKTZLDDGM-HNNXBMFYSA-N 3 2 296.459 0.504 20 0 CCADLP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[C@@H]1CSC[NH2+]1 ZINC000662886116 414869233 /nfs/dbraw/zinc/86/92/33/414869233.db2.gz ZOKLEEIUXROQCN-STQMWFEESA-N 2 2 293.392 0.949 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662910649 414884719 /nfs/dbraw/zinc/88/47/19/414884719.db2.gz QIDKIYIZHGQCOS-HNNXBMFYSA-N 2 2 297.443 0.931 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCO[C@](C)(C(F)F)C1 ZINC000663002836 414944047 /nfs/dbraw/zinc/94/40/47/414944047.db2.gz UHLJCPBQAAYOCI-SKDRFNHKSA-N 2 2 279.331 0.148 20 0 CCADLP Cn1cc[nH+]c1[C@H]1N(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1(C)C ZINC000663023445 414953742 /nfs/dbraw/zinc/95/37/42/414953742.db2.gz WUWKJCICNWZYES-NOOOWODRSA-N 2 2 274.368 0.795 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000663445451 415067582 /nfs/dbraw/zinc/06/75/82/415067582.db2.gz IJCUQYRUFRVJLY-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2nc3c(s2)C[NH2+]CC3)C1 ZINC000663494544 415078918 /nfs/dbraw/zinc/07/89/18/415078918.db2.gz JGQKOXJNHABLBN-NXEZZACHSA-N 3 2 266.414 0.958 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2nc3c(s2)C[NH2+]CC3)C1 ZINC000663494544 415078922 /nfs/dbraw/zinc/07/89/22/415078922.db2.gz JGQKOXJNHABLBN-NXEZZACHSA-N 3 2 266.414 0.958 20 0 CCADLP C[NH2+]CCC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000043604908 175078050 /nfs/dbraw/zinc/07/80/50/175078050.db2.gz VRVBFTWGBLSOPE-UHFFFAOYSA-N 2 2 262.357 0.335 20 0 CCADLP C[C@@H]1C[N@H+](CCNc2cc[nH+]cc2C(N)=O)[C@@H](C)CO1 ZINC000664245203 415297707 /nfs/dbraw/zinc/29/77/07/415297707.db2.gz VCLKEXDAQUEHMQ-WDEREUQCSA-N 2 2 278.356 0.124 20 0 CCADLP C[C@@H]1C[N@@H+](CCNc2cc[nH+]cc2C(N)=O)[C@@H](C)CO1 ZINC000664245203 415297711 /nfs/dbraw/zinc/29/77/11/415297711.db2.gz VCLKEXDAQUEHMQ-WDEREUQCSA-N 2 2 278.356 0.124 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000071276158 176106804 /nfs/dbraw/zinc/10/68/04/176106804.db2.gz ZDABGOLJTKMWSY-AWEZNQCLSA-N 2 2 258.325 0.910 20 0 CCADLP CC[C@H](C(=O)NC(C)(C)C[NH+]1CCOCC1)[NH+](C)C ZINC000413953704 287486239 /nfs/dbraw/zinc/48/62/39/287486239.db2.gz GYVARDIIPXWSIR-GFCCVEGCSA-N 2 2 271.405 0.554 20 0 CCADLP CCn1c[nH+]cc1CN1CC[NH+](C(COC)COC)CC1 ZINC000418096520 228041245 /nfs/dbraw/zinc/04/12/45/228041245.db2.gz XJLSFMLPIHFLJE-UHFFFAOYSA-N 2 2 296.415 0.682 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)CCC(C)(C)[NH3+] ZINC000070086820 544448474 /nfs/dbraw/zinc/44/84/74/544448474.db2.gz MBCQJVPKJXDNJT-LLVKDONJSA-N 2 2 257.378 0.341 20 0 CCADLP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCS(=O)(=O)C2)CC1(C)C ZINC000084623398 544492287 /nfs/dbraw/zinc/49/22/87/544492287.db2.gz LCSBBRCBDKAHPH-GHMZBOCLSA-N 2 2 260.403 0.636 20 0 CCADLP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCS(=O)(=O)C2)CC1(C)C ZINC000084623398 544492291 /nfs/dbraw/zinc/49/22/91/544492291.db2.gz LCSBBRCBDKAHPH-GHMZBOCLSA-N 2 2 260.403 0.636 20 0 CCADLP Cc1cc(N2CC[NH+](C(C)(C)CO)CC2)nc(C)[nH+]1 ZINC000080986781 544480188 /nfs/dbraw/zinc/48/01/88/544480188.db2.gz HLBLAWZIWGRZHC-UHFFFAOYSA-N 2 2 264.373 0.986 20 0 CCADLP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000088289350 544505899 /nfs/dbraw/zinc/50/58/99/544505899.db2.gz GHVHOIDVVNUCJV-UONOGXRCSA-N 2 2 284.448 0.360 20 0 CCADLP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000088289350 544505902 /nfs/dbraw/zinc/50/59/02/544505902.db2.gz GHVHOIDVVNUCJV-UONOGXRCSA-N 2 2 284.448 0.360 20 0 CCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)CC[NH3+])CC1 ZINC000098148589 544556547 /nfs/dbraw/zinc/55/65/47/544556547.db2.gz VRPZIALYSRIAOI-UHFFFAOYSA-N 2 2 291.395 0.997 20 0 CCADLP C[N@@H+](Cc1ccc2c(c1)OCCO2)C[C@H]1C[NH2+]CCO1 ZINC000125387851 544590498 /nfs/dbraw/zinc/59/04/98/544590498.db2.gz OWFZWOPJEKWXKA-CYBMUJFWSA-N 2 2 278.352 0.878 20 0 CCADLP C[N@H+](Cc1ccc2c(c1)OCCO2)C[C@H]1C[NH2+]CCO1 ZINC000125387851 544590505 /nfs/dbraw/zinc/59/05/05/544590505.db2.gz OWFZWOPJEKWXKA-CYBMUJFWSA-N 2 2 278.352 0.878 20 0 CCADLP COc1cc(C[N@H+](C)C[C@H]2C[NH2+]CCO2)ccc1O ZINC000125521602 544592255 /nfs/dbraw/zinc/59/22/55/544592255.db2.gz YWKIKILPFNVELD-GFCCVEGCSA-N 2 2 266.341 0.821 20 0 CCADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000134237233 544629099 /nfs/dbraw/zinc/62/90/99/544629099.db2.gz UKSHLWBRHPLBNF-LBPRGKRZSA-N 2 2 283.397 0.518 20 0 CCADLP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000134237233 544629101 /nfs/dbraw/zinc/62/91/01/544629101.db2.gz UKSHLWBRHPLBNF-LBPRGKRZSA-N 2 2 283.397 0.518 20 0 CCADLP C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000159861798 544696866 /nfs/dbraw/zinc/69/68/66/544696866.db2.gz FQXLKSJGYLKKOA-HTQZYQBOSA-N 2 2 253.268 0.334 20 0 CCADLP C[C@H](C(=O)NCC(F)(F)F)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000159861798 544696870 /nfs/dbraw/zinc/69/68/70/544696870.db2.gz FQXLKSJGYLKKOA-HTQZYQBOSA-N 2 2 253.268 0.334 20 0 CCADLP Cc1cc(N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)nc(C)[nH+]1 ZINC000190832239 544796093 /nfs/dbraw/zinc/79/60/93/544796093.db2.gz KBGHPYQTDQIOSW-NWDGAFQWSA-N 2 2 264.373 0.985 20 0 CCADLP Cc1cc(N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)nc(C)[nH+]1 ZINC000190832239 544796097 /nfs/dbraw/zinc/79/60/97/544796097.db2.gz KBGHPYQTDQIOSW-NWDGAFQWSA-N 2 2 264.373 0.985 20 0 CCADLP COC1(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CCC1 ZINC000234577055 544869136 /nfs/dbraw/zinc/86/91/36/544869136.db2.gz QONAODQHWFHUIK-NSHDSACASA-N 2 2 255.362 0.047 20 0 CCADLP COC1(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CCC1 ZINC000234577055 544869142 /nfs/dbraw/zinc/86/91/42/544869142.db2.gz QONAODQHWFHUIK-NSHDSACASA-N 2 2 255.362 0.047 20 0 CCADLP C[C@H]([C@H](C)NC(=O)C1([NH3+])CCCC1)[NH+]1CCOCC1 ZINC000237549674 544896356 /nfs/dbraw/zinc/89/63/56/544896356.db2.gz VFIKGNNGXGOWHE-NWDGAFQWSA-N 2 2 269.389 0.483 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000280046671 544957360 /nfs/dbraw/zinc/95/73/60/544957360.db2.gz VXYSHDRCYMEVJQ-GWCFXTLKSA-N 2 2 262.357 0.941 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC000280046671 544957364 /nfs/dbraw/zinc/95/73/64/544957364.db2.gz VXYSHDRCYMEVJQ-GWCFXTLKSA-N 2 2 262.357 0.941 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000280046671 544957368 /nfs/dbraw/zinc/95/73/68/544957368.db2.gz VXYSHDRCYMEVJQ-GWCFXTLKSA-N 2 2 262.357 0.941 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC000280046671 544957372 /nfs/dbraw/zinc/95/73/72/544957372.db2.gz VXYSHDRCYMEVJQ-GWCFXTLKSA-N 2 2 262.357 0.941 20 0 CCADLP Cn1c[nH+]cc1C[NH2+][C@@H](Cc1ccccc1)C(N)=O ZINC000290619678 544970268 /nfs/dbraw/zinc/97/02/68/544970268.db2.gz LFLIDINTGNGIIS-ZDUSSCGKSA-N 2 2 258.325 0.606 20 0 CCADLP COC[C@H]([NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1)C1CC1 ZINC000347776638 545063030 /nfs/dbraw/zinc/06/30/30/545063030.db2.gz AKULIXLZMITHAB-JURCDPSOSA-N 2 2 286.416 0.471 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N1CC[N@H+](C)CC1(C)C ZINC000352068278 545069589 /nfs/dbraw/zinc/06/95/89/545069589.db2.gz OSOAQAHLTYMZOQ-UHFFFAOYSA-N 2 2 291.461 0.684 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N1CC[N@@H+](C)CC1(C)C ZINC000352068278 545069590 /nfs/dbraw/zinc/06/95/90/545069590.db2.gz OSOAQAHLTYMZOQ-UHFFFAOYSA-N 2 2 291.461 0.684 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1C ZINC000336631185 545050961 /nfs/dbraw/zinc/05/09/61/545050961.db2.gz CBOLUUXIDVKZLQ-MNOVXSKESA-N 2 2 250.346 0.893 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1C ZINC000336631185 545050963 /nfs/dbraw/zinc/05/09/63/545050963.db2.gz CBOLUUXIDVKZLQ-MNOVXSKESA-N 2 2 250.346 0.893 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1C ZINC000336631185 545050965 /nfs/dbraw/zinc/05/09/65/545050965.db2.gz CBOLUUXIDVKZLQ-MNOVXSKESA-N 2 2 250.346 0.893 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1C ZINC000336631185 545050966 /nfs/dbraw/zinc/05/09/66/545050966.db2.gz CBOLUUXIDVKZLQ-MNOVXSKESA-N 2 2 250.346 0.893 20 0 CCADLP CC[NH+]1CCC(CNc2nc(C)[nH+]c(N(C)C)n2)CC1 ZINC000575235319 335086572 /nfs/dbraw/zinc/08/65/72/335086572.db2.gz GDFYMQZXPSACNS-UHFFFAOYSA-N 2 2 278.404 0.812 20 0 CCADLP CC[NH+]1CCC(CNc2nc(N(C)C)nc(C)[nH+]2)CC1 ZINC000575235319 335086574 /nfs/dbraw/zinc/08/65/74/335086574.db2.gz GDFYMQZXPSACNS-UHFFFAOYSA-N 2 2 278.404 0.812 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1c[nH+]cn1C ZINC000357066766 545078454 /nfs/dbraw/zinc/07/84/54/545078454.db2.gz MYJUQSNRNJVUHC-SNVBAGLBSA-N 2 2 262.317 0.505 20 0 CCADLP Cn1c[nH+]cc1CNc1cc[nH+]c(N2CCOCC2)n1 ZINC000357591135 545079027 /nfs/dbraw/zinc/07/90/27/545079027.db2.gz GVBMRISNWGWRGC-UHFFFAOYSA-N 2 2 274.328 0.081 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@@H](C)[NH+]1C ZINC000358711107 274328582 /nfs/dbraw/zinc/32/85/82/274328582.db2.gz QEOMKGXBVWIFGI-JHJVBQTASA-N 2 2 276.384 0.997 20 0 CCADLP CC(C)C[NH+]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263050900 275576392 /nfs/dbraw/zinc/57/63/92/275576392.db2.gz UMQZVKUYVAGDGN-LLVKDONJSA-N 2 2 275.343 0.784 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)NCc1ccc[nH+]c1N(C)C ZINC000433158547 275698341 /nfs/dbraw/zinc/69/83/41/275698341.db2.gz JYCZODOSCVTQEL-LBPRGKRZSA-N 2 2 264.373 0.995 20 0 CCADLP CC[N@H+](CC(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1)C1CC1 ZINC000456210534 276082094 /nfs/dbraw/zinc/08/20/94/276082094.db2.gz MWCVAEOQGRUQMX-BETUJISGSA-N 2 2 283.416 0.384 20 0 CCADLP CC[N@@H+](CC(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1)C1CC1 ZINC000456210534 276082097 /nfs/dbraw/zinc/08/20/97/276082097.db2.gz MWCVAEOQGRUQMX-BETUJISGSA-N 2 2 283.416 0.384 20 0 CCADLP CC[NH+](CC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)C1CC1 ZINC000456210534 276082099 /nfs/dbraw/zinc/08/20/99/276082099.db2.gz MWCVAEOQGRUQMX-BETUJISGSA-N 2 2 283.416 0.384 20 0 CCADLP CC[NH+](CC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)C1CC1 ZINC000456210534 276082101 /nfs/dbraw/zinc/08/21/01/276082101.db2.gz MWCVAEOQGRUQMX-BETUJISGSA-N 2 2 283.416 0.384 20 0 CCADLP CC[N@@H+]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000335967271 276163767 /nfs/dbraw/zinc/16/37/67/276163767.db2.gz ZVBBPVGMKCMQPU-ZDUSSCGKSA-N 2 2 276.384 1.000 20 0 CCADLP CC[N@H+]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000335967271 276163768 /nfs/dbraw/zinc/16/37/68/276163768.db2.gz ZVBBPVGMKCMQPU-ZDUSSCGKSA-N 2 2 276.384 1.000 20 0 CCADLP CC[N@@H+]1CC[C@@H]2OCCN(CC[NH+]3CCOC[C@@H]3C)[C@H]2C1 ZINC000339377273 276219692 /nfs/dbraw/zinc/21/96/92/276219692.db2.gz AFZQMPNASNITDN-JYJNAYRXSA-N 2 2 297.443 0.502 20 0 CCADLP CC[N@H+]1CC[C@@H]2OCCN(CC[NH+]3CCOC[C@@H]3C)[C@H]2C1 ZINC000339377273 276219696 /nfs/dbraw/zinc/21/96/96/276219696.db2.gz AFZQMPNASNITDN-JYJNAYRXSA-N 2 2 297.443 0.502 20 0 CCADLP CC[NH+]1CC[C@@H]2OCCN(CC[N@@H+]3CCOC[C@@H]3C)[C@H]2C1 ZINC000339377273 276219697 /nfs/dbraw/zinc/21/96/97/276219697.db2.gz AFZQMPNASNITDN-JYJNAYRXSA-N 2 2 297.443 0.502 20 0 CCADLP CC[NH+]1CC[C@@H]2OCCN(CC[N@H+]3CCOC[C@@H]3C)[C@H]2C1 ZINC000339377273 276219699 /nfs/dbraw/zinc/21/96/99/276219699.db2.gz AFZQMPNASNITDN-JYJNAYRXSA-N 2 2 297.443 0.502 20 0 CCADLP C(C[NH+]1CCCC1)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346826741 276807669 /nfs/dbraw/zinc/80/76/69/276807669.db2.gz MMUQMNCOEDRDCX-INIZCTEOSA-N 3 2 280.460 0.699 20 0 CCADLP CS(=O)(=O)CCC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000380027699 545084272 /nfs/dbraw/zinc/08/42/72/545084272.db2.gz FPWCICBGRYWVTB-RYUDHWBXSA-N 2 2 260.403 0.482 20 0 CCADLP CS(=O)(=O)CCC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000380027699 545084273 /nfs/dbraw/zinc/08/42/73/545084273.db2.gz FPWCICBGRYWVTB-RYUDHWBXSA-N 2 2 260.403 0.482 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000332620522 277044365 /nfs/dbraw/zinc/04/43/65/277044365.db2.gz NPEBHYBDGKMOBN-VXGBXAGGSA-N 2 2 280.372 0.097 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000332620522 277044366 /nfs/dbraw/zinc/04/43/66/277044366.db2.gz NPEBHYBDGKMOBN-VXGBXAGGSA-N 2 2 280.372 0.097 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000332620522 277044367 /nfs/dbraw/zinc/04/43/67/277044367.db2.gz NPEBHYBDGKMOBN-VXGBXAGGSA-N 2 2 280.372 0.097 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000332620522 277044368 /nfs/dbraw/zinc/04/43/68/277044368.db2.gz NPEBHYBDGKMOBN-VXGBXAGGSA-N 2 2 280.372 0.097 20 0 CCADLP COC(=O)CCC[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000371305612 277055335 /nfs/dbraw/zinc/05/53/35/277055335.db2.gz ZMDMHTVQHVWFGN-GJZGRUSLSA-N 2 2 297.443 0.897 20 0 CCADLP COC(=O)CCC[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000371305612 277055336 /nfs/dbraw/zinc/05/53/36/277055336.db2.gz ZMDMHTVQHVWFGN-GJZGRUSLSA-N 2 2 297.443 0.897 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000328612223 277060654 /nfs/dbraw/zinc/06/06/54/277060654.db2.gz PEJXTJIMQOOPHR-MNOVXSKESA-N 2 2 266.345 0.547 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000328612223 277060655 /nfs/dbraw/zinc/06/06/55/277060655.db2.gz PEJXTJIMQOOPHR-MNOVXSKESA-N 2 2 266.345 0.547 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000328612223 277060656 /nfs/dbraw/zinc/06/06/56/277060656.db2.gz PEJXTJIMQOOPHR-MNOVXSKESA-N 2 2 266.345 0.547 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000328612223 277060657 /nfs/dbraw/zinc/06/06/57/277060657.db2.gz PEJXTJIMQOOPHR-MNOVXSKESA-N 2 2 266.345 0.547 20 0 CCADLP C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000514698800 277073785 /nfs/dbraw/zinc/07/37/85/277073785.db2.gz JHXLFIIBZHGGDW-VXGBXAGGSA-N 2 2 291.399 0.908 20 0 CCADLP C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000514698800 277073787 /nfs/dbraw/zinc/07/37/87/277073787.db2.gz JHXLFIIBZHGGDW-VXGBXAGGSA-N 2 2 291.399 0.908 20 0 CCADLP C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000514698800 277073788 /nfs/dbraw/zinc/07/37/88/277073788.db2.gz JHXLFIIBZHGGDW-VXGBXAGGSA-N 2 2 291.399 0.908 20 0 CCADLP C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000514698800 277073790 /nfs/dbraw/zinc/07/37/90/277073790.db2.gz JHXLFIIBZHGGDW-VXGBXAGGSA-N 2 2 291.399 0.908 20 0 CCADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nccc(N)n3)CC[C@@H]21 ZINC000135158819 277083882 /nfs/dbraw/zinc/08/38/82/277083882.db2.gz BSHTZEUBYGKVFG-RYUDHWBXSA-N 2 2 261.373 0.975 20 0 CCADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3nccc(N)n3)CC[C@@H]21 ZINC000135158819 277083883 /nfs/dbraw/zinc/08/38/83/277083883.db2.gz BSHTZEUBYGKVFG-RYUDHWBXSA-N 2 2 261.373 0.975 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3nccc(N)n3)CC[C@@H]21 ZINC000135158819 277083884 /nfs/dbraw/zinc/08/38/84/277083884.db2.gz BSHTZEUBYGKVFG-RYUDHWBXSA-N 2 2 261.373 0.975 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nccc(N)n3)CC[C@@H]21 ZINC000135158819 277083886 /nfs/dbraw/zinc/08/38/86/277083886.db2.gz BSHTZEUBYGKVFG-RYUDHWBXSA-N 2 2 261.373 0.975 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H]3CCC[C@@H]32)CC1 ZINC000335833314 277090389 /nfs/dbraw/zinc/09/03/89/277090389.db2.gz UWSKXXLZADNIQV-STQMWFEESA-N 2 2 251.374 0.635 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H]3CCC[C@@H]32)CC1 ZINC000335833314 277090391 /nfs/dbraw/zinc/09/03/91/277090391.db2.gz UWSKXXLZADNIQV-STQMWFEESA-N 2 2 251.374 0.635 20 0 CCADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)/C=C/c3[nH]cc[nH+]3)C2)C1 ZINC000493727929 277159282 /nfs/dbraw/zinc/15/92/82/277159282.db2.gz QWHHBPPLKILVLN-BAABZTOOSA-N 2 2 260.341 0.977 20 0 CCADLP C[N@H+]1CC[C@@]2(CCN(C(=O)/C=C/c3[nH]cc[nH+]3)C2)C1 ZINC000493727929 277159283 /nfs/dbraw/zinc/15/92/83/277159283.db2.gz QWHHBPPLKILVLN-BAABZTOOSA-N 2 2 260.341 0.977 20 0 CCADLP COCCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369258295 277228706 /nfs/dbraw/zinc/22/87/06/277228706.db2.gz VLWUGKPSXLXOIJ-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP COCCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369258295 277228707 /nfs/dbraw/zinc/22/87/07/277228707.db2.gz VLWUGKPSXLXOIJ-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP CC(C)[C@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1C)[NH+](C)C ZINC000356701904 277863060 /nfs/dbraw/zinc/86/30/60/277863060.db2.gz GTVFBLGGBNENAG-RRFJBIMHSA-N 2 2 297.443 0.894 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000333234754 278217507 /nfs/dbraw/zinc/21/75/07/278217507.db2.gz CSVCVMPFDWHNQX-FRRDWIJNSA-N 2 2 283.416 0.742 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1)C(C)C ZINC000226468433 278234581 /nfs/dbraw/zinc/23/45/81/278234581.db2.gz DOXUPYJEAYTNHR-UKRRQHHQSA-N 2 2 283.416 0.790 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1)C(C)C ZINC000226468433 278234583 /nfs/dbraw/zinc/23/45/83/278234583.db2.gz DOXUPYJEAYTNHR-UKRRQHHQSA-N 2 2 283.416 0.790 20 0 CCADLP CC(C)(CNC(=O)[C@]1(C)CCCC[NH2+]1)[NH+]1CCOCC1 ZINC000136194175 278620069 /nfs/dbraw/zinc/62/00/69/278620069.db2.gz ROJBMUGIVZLEJR-HNNXBMFYSA-N 2 2 283.416 0.746 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000358389266 288090059 /nfs/dbraw/zinc/09/00/59/288090059.db2.gz CWCUSDWWLMFZQG-OCCSQVGLSA-N 2 2 282.432 0.079 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000358389266 288090061 /nfs/dbraw/zinc/09/00/61/288090061.db2.gz CWCUSDWWLMFZQG-OCCSQVGLSA-N 2 2 282.432 0.079 20 0 CCADLP CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069856060 279068374 /nfs/dbraw/zinc/06/83/74/279068374.db2.gz ZIKWYCIGMLBOAZ-HNNXBMFYSA-N 2 2 297.443 0.899 20 0 CCADLP CCN(CC)C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069856060 279068375 /nfs/dbraw/zinc/06/83/75/279068375.db2.gz ZIKWYCIGMLBOAZ-HNNXBMFYSA-N 2 2 297.443 0.899 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C)CC1 ZINC000430563796 279260321 /nfs/dbraw/zinc/26/03/21/279260321.db2.gz KAPTUIKDTVODFL-OAHLLOKOSA-N 3 2 284.448 0.550 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCn2c[nH+]cc2C1 ZINC000291010216 279315413 /nfs/dbraw/zinc/31/54/13/279315413.db2.gz CKFIDWUMIKZDOJ-GFCCVEGCSA-N 2 2 278.356 0.194 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC2(CCC[NH+]2C)CC1 ZINC000355345931 279377956 /nfs/dbraw/zinc/37/79/56/279377956.db2.gz JOWVBVDRTMSGQD-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC2(CCC[NH+]2C)CC1 ZINC000355345931 279377957 /nfs/dbraw/zinc/37/79/57/279377957.db2.gz JOWVBVDRTMSGQD-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000355345931 279377958 /nfs/dbraw/zinc/37/79/58/279377958.db2.gz JOWVBVDRTMSGQD-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000355345931 279377959 /nfs/dbraw/zinc/37/79/59/279377959.db2.gz JOWVBVDRTMSGQD-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000417792396 279398585 /nfs/dbraw/zinc/39/85/85/279398585.db2.gz YLVQFGIDDBLVPE-CPCISQLKSA-N 2 2 257.284 0.818 20 0 CCADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1ncccn1 ZINC000424333240 279504952 /nfs/dbraw/zinc/50/49/52/279504952.db2.gz LWXSQJIAIYPDNB-HBNTYKKESA-N 2 2 263.345 0.663 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC[C@@H]1[NH3+] ZINC000430921032 288138630 /nfs/dbraw/zinc/13/86/30/288138630.db2.gz RDVNCRDSVMZKCF-CBBWQLFWSA-N 2 2 295.427 0.826 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CC[C@@H]1[NH3+] ZINC000430921032 288138635 /nfs/dbraw/zinc/13/86/35/288138635.db2.gz RDVNCRDSVMZKCF-CBBWQLFWSA-N 2 2 295.427 0.826 20 0 CCADLP CCS(=O)(=O)NCC[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430546061 280021946 /nfs/dbraw/zinc/02/19/46/280021946.db2.gz COFKTXPQCXNSBV-NSHDSACASA-N 2 2 265.423 0.231 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430546061 280021949 /nfs/dbraw/zinc/02/19/49/280021949.db2.gz COFKTXPQCXNSBV-NSHDSACASA-N 2 2 265.423 0.231 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000353426967 280069897 /nfs/dbraw/zinc/06/98/97/280069897.db2.gz KSGRDCWSCQFNGQ-IHRRRGAJSA-N 2 2 283.416 0.457 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000236785198 280275359 /nfs/dbraw/zinc/27/53/59/280275359.db2.gz MYFSTNDDYFPKPR-UTUOFQBUSA-N 2 2 257.378 0.195 20 0 CCADLP O=C1[C@H]([NH2+][C@@H]2CCC[NH2+]C2)CCCN1CC(F)(F)F ZINC000415086233 280326336 /nfs/dbraw/zinc/32/63/36/280326336.db2.gz RUVJTGTUUZOZKX-NXEZZACHSA-N 2 2 279.306 0.881 20 0 CCADLP Cc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000369277502 280360219 /nfs/dbraw/zinc/36/02/19/280360219.db2.gz LYHCFAHBMPCGBW-LBPRGKRZSA-N 2 2 292.383 0.881 20 0 CCADLP Cc1cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)no1 ZINC000369277502 280360221 /nfs/dbraw/zinc/36/02/21/280360221.db2.gz LYHCFAHBMPCGBW-LBPRGKRZSA-N 2 2 292.383 0.881 20 0 CCADLP CC[C@H]1CN(C(=O)[C@@H]2CCC[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000418152079 281141124 /nfs/dbraw/zinc/14/11/24/281141124.db2.gz HGSZPZJIRUVFCJ-IHRRRGAJSA-N 2 2 281.400 0.308 20 0 CCADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)CC(N)=O)CCC2 ZINC000361672846 281551162 /nfs/dbraw/zinc/55/11/62/281551162.db2.gz SUZRRFQSUDMLBA-ONGXEEELSA-N 2 2 250.346 0.922 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000417044510 289616895 /nfs/dbraw/zinc/61/68/95/289616895.db2.gz YQSCKWHWISTANL-RDBSUJKOSA-N 2 2 298.431 0.618 20 0 CCADLP Cc1cc[nH+]c(N(C)C[C@H](O)C[NH+]2CCOCC2)c1 ZINC000268283598 292765807 /nfs/dbraw/zinc/76/58/07/292765807.db2.gz BUAYDMUVJOJLPO-ZDUSSCGKSA-N 2 2 265.357 0.519 20 0 CCADLP C[C@H](O)CNc1cc(N[C@@H](C)C[NH+]2CCOCC2)nc[nH+]1 ZINC000294391207 290122321 /nfs/dbraw/zinc/12/23/21/290122321.db2.gz MUBZNKNZYCPOEY-RYUDHWBXSA-N 2 2 295.387 0.402 20 0 CCADLP COC[C@](C)(O)CC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000449384726 293262126 /nfs/dbraw/zinc/26/21/26/293262126.db2.gz OEQGGNCNMIUIPR-IACUBPJLSA-N 2 2 256.390 0.846 20 0 CCADLP COC[C@](C)(O)CC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000449384726 293262129 /nfs/dbraw/zinc/26/21/29/293262129.db2.gz OEQGGNCNMIUIPR-IACUBPJLSA-N 2 2 256.390 0.846 20 0 CCADLP CO[C@H](C[NH3+])C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000353455507 294415767 /nfs/dbraw/zinc/41/57/67/294415767.db2.gz XSRXNMDUCRQHTH-WDEREUQCSA-N 2 2 294.399 0.585 20 0 CCADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC000422944956 295297259 /nfs/dbraw/zinc/29/72/59/295297259.db2.gz MIWDHXOELAWPCG-RKDXNWHRSA-N 2 2 267.295 0.915 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000449337716 297111767 /nfs/dbraw/zinc/11/17/67/297111767.db2.gz SRVYJNXPYJBDCI-VXGBXAGGSA-N 2 2 269.389 0.069 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000449337716 297111768 /nfs/dbraw/zinc/11/17/68/297111768.db2.gz SRVYJNXPYJBDCI-VXGBXAGGSA-N 2 2 269.389 0.069 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCOC(C)(C)C1 ZINC000388996912 545086428 /nfs/dbraw/zinc/08/64/28/545086428.db2.gz DKZRCCQFHTWZGK-ZDUSSCGKSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCOC(C)(C)C1 ZINC000388996912 545086429 /nfs/dbraw/zinc/08/64/29/545086429.db2.gz DKZRCCQFHTWZGK-ZDUSSCGKSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCOC(C)(C)C1 ZINC000388996912 545086430 /nfs/dbraw/zinc/08/64/30/545086430.db2.gz DKZRCCQFHTWZGK-ZDUSSCGKSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCOC(C)(C)C1 ZINC000388996912 545086431 /nfs/dbraw/zinc/08/64/31/545086431.db2.gz DKZRCCQFHTWZGK-ZDUSSCGKSA-N 2 2 274.405 0.426 20 0 CCADLP C[C@H](C(=O)NC1CCC(C)CC1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420362671 298142177 /nfs/dbraw/zinc/14/21/77/298142177.db2.gz ZNLRCRSJGLJPIQ-KPFVRQRISA-N 2 2 271.405 0.321 20 0 CCADLP C[C@H](C(=O)NC1CCC(C)CC1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420362671 298142179 /nfs/dbraw/zinc/14/21/79/298142179.db2.gz ZNLRCRSJGLJPIQ-KPFVRQRISA-N 2 2 271.405 0.321 20 0 CCADLP C[C@H](C(=O)N[C@H]1C[C@H]1C1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000361080270 298193345 /nfs/dbraw/zinc/19/33/45/298193345.db2.gz NHERYLNEYHFKSD-XBFCOCLRSA-N 2 2 281.400 0.211 20 0 CCADLP Cc1cc(C[NH2+][C@H](C)CC[NH+]2CCOCC2)n(C)n1 ZINC000417961028 301278455 /nfs/dbraw/zinc/27/84/55/301278455.db2.gz GAIIIWSPKMDUGQ-GFCCVEGCSA-N 2 2 266.389 0.929 20 0 CCADLP O=C(N1CC[C@H]([NH+]2CCOCC2)C1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000366637656 303694206 /nfs/dbraw/zinc/69/42/06/303694206.db2.gz YSXKBTNZGSVXCP-IJEWVQPXSA-N 2 2 293.411 0.309 20 0 CCADLP O=S1(=O)CCC[C@H]([NH2+]CCC[NH+]2CCCC2)C1 ZINC000069135421 304790654 /nfs/dbraw/zinc/79/06/54/304790654.db2.gz MNMNWLXMPDNFQV-LBPRGKRZSA-N 2 2 260.403 0.639 20 0 CCADLP O=C(NCC[NH+]1CCOCC1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000574905604 327637676 /nfs/dbraw/zinc/63/76/76/327637676.db2.gz LXJABUHWORBLNB-HNNXBMFYSA-N 2 2 296.415 0.104 20 0 CCADLP COC1(C(=O)N(C)CCCn2cc[nH+]c2)CC[NH2+]CC1 ZINC000580076352 327693031 /nfs/dbraw/zinc/69/30/31/327693031.db2.gz IAXXMHIPYOHAHZ-UHFFFAOYSA-N 2 2 280.372 0.500 20 0 CCADLP COC[C@@]1(C(=O)N(C)Cc2[nH+]ccn2C)CC[NH2+]C1 ZINC000388392209 327877174 /nfs/dbraw/zinc/87/71/74/327877174.db2.gz VQPKAAPDTWQEJI-CYBMUJFWSA-N 2 2 266.345 0.005 20 0 CCADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H](C[NH3+])OC ZINC000584230751 327070518 /nfs/dbraw/zinc/07/05/18/327070518.db2.gz WBKQKROHUFSMQM-GFCCVEGCSA-N 2 2 282.388 0.658 20 0 CCADLP CCOC(=O)CC[C@@H](O)C[NH2+]CCc1cn(C)c[nH+]1 ZINC000313220888 327100722 /nfs/dbraw/zinc/10/07/22/327100722.db2.gz DVJSYCATHMJWBH-GFCCVEGCSA-N 2 2 269.345 0.256 20 0 CCADLP C[C@H]1C[C@H]([NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CS1 ZINC000566121125 327141284 /nfs/dbraw/zinc/14/12/84/327141284.db2.gz XXDWFXCBTDJGSH-ZUWCUPBKSA-N 2 2 288.457 0.940 20 0 CCADLP C[C@H]1C[C@H]([NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CS1 ZINC000566121125 327141286 /nfs/dbraw/zinc/14/12/86/327141286.db2.gz XXDWFXCBTDJGSH-ZUWCUPBKSA-N 2 2 288.457 0.940 20 0 CCADLP O=C(NC[C@H]1CCC[NH2+]C1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000584290647 327222556 /nfs/dbraw/zinc/22/25/56/327222556.db2.gz VBPFXLINFINXLN-NSHDSACASA-N 2 2 286.339 0.392 20 0 CCADLP C[C@H](CC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)n1cc[nH+]c1 ZINC000573856324 327264675 /nfs/dbraw/zinc/26/46/75/327264675.db2.gz WGMXEURCAAIAEV-UPJWGTAASA-N 2 2 262.357 0.902 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(OCCOC)CC1 ZINC000577765908 327281502 /nfs/dbraw/zinc/28/15/02/327281502.db2.gz QACSWJCAJTYZMZ-CYBMUJFWSA-N 2 2 274.405 0.426 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(OCCOC)CC1 ZINC000577765908 327281503 /nfs/dbraw/zinc/28/15/03/327281503.db2.gz QACSWJCAJTYZMZ-CYBMUJFWSA-N 2 2 274.405 0.426 20 0 CCADLP COCCOC[C@H](O)C[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000583435735 327362423 /nfs/dbraw/zinc/36/24/23/327362423.db2.gz BFWLZYOZOMEPPZ-UONOGXRCSA-N 2 2 297.399 0.682 20 0 CCADLP CC[NH+]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000579374323 327364206 /nfs/dbraw/zinc/36/42/06/327364206.db2.gz IQRIWCVJPFEIRA-VXGBXAGGSA-N 2 2 250.346 0.824 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000426351218 533708682 /nfs/dbraw/zinc/70/86/82/533708682.db2.gz JYCCXEJGCBDXAW-YDHLFZDLSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000426351218 533708692 /nfs/dbraw/zinc/70/86/92/533708692.db2.gz JYCCXEJGCBDXAW-YDHLFZDLSA-N 2 2 295.427 0.839 20 0 CCADLP CC[NH+](CC)CCNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000582418425 328985154 /nfs/dbraw/zinc/98/51/54/328985154.db2.gz YBONDTFGDAZSKO-JTQLQIEISA-N 2 2 256.375 0.601 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](CCO)[C@H]1CC[C@H](C)C1 ZINC000582793565 329210406 /nfs/dbraw/zinc/21/04/06/329210406.db2.gz HDUVOYFDYZBDHN-KKUMJFAQSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](CCO)[C@H]1CC[C@H](C)C1 ZINC000582793565 329210407 /nfs/dbraw/zinc/21/04/07/329210407.db2.gz HDUVOYFDYZBDHN-KKUMJFAQSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](CCO)[C@H]1CC[C@H](C)C1 ZINC000582793565 329210408 /nfs/dbraw/zinc/21/04/08/329210408.db2.gz HDUVOYFDYZBDHN-KKUMJFAQSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](CCO)[C@H]1CC[C@H](C)C1 ZINC000582793565 329210410 /nfs/dbraw/zinc/21/04/10/329210410.db2.gz HDUVOYFDYZBDHN-KKUMJFAQSA-N 2 2 288.432 0.408 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000582861902 329278003 /nfs/dbraw/zinc/27/80/03/329278003.db2.gz BMNKNFHZOQLWQS-NEPJUHHUSA-N 2 2 264.373 0.902 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC(C)=C[C@H](C)C1 ZINC000582912699 329287569 /nfs/dbraw/zinc/28/75/69/329287569.db2.gz CDKFFTCOFSHBMQ-JSGCOSHPSA-N 2 2 256.390 0.824 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC(C)=C[C@H](C)C1 ZINC000582912699 329287570 /nfs/dbraw/zinc/28/75/70/329287570.db2.gz CDKFFTCOFSHBMQ-JSGCOSHPSA-N 2 2 256.390 0.824 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC(C)=C[C@H](C)C1 ZINC000582912699 329287572 /nfs/dbraw/zinc/28/75/72/329287572.db2.gz CDKFFTCOFSHBMQ-JSGCOSHPSA-N 2 2 256.390 0.824 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC(C)=C[C@H](C)C1 ZINC000582912699 329287574 /nfs/dbraw/zinc/28/75/74/329287574.db2.gz CDKFFTCOFSHBMQ-JSGCOSHPSA-N 2 2 256.390 0.824 20 0 CCADLP Cc1ccccc1NCCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000583027413 329304351 /nfs/dbraw/zinc/30/43/51/329304351.db2.gz NHVLADWMLODIDK-CQSZACIVSA-N 2 2 290.411 0.898 20 0 CCADLP Cc1ccccc1NCCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000583027413 329304352 /nfs/dbraw/zinc/30/43/52/329304352.db2.gz NHVLADWMLODIDK-CQSZACIVSA-N 2 2 290.411 0.898 20 0 CCADLP CC[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)CCOC)C[C@@H](C)O1 ZINC000583092331 329314504 /nfs/dbraw/zinc/31/45/04/329314504.db2.gz LSFVVJIPMAVQGX-MGPQQGTHSA-N 2 2 274.405 0.425 20 0 CCADLP CC[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)CCOC)C[C@@H](C)O1 ZINC000583092331 329314505 /nfs/dbraw/zinc/31/45/05/329314505.db2.gz LSFVVJIPMAVQGX-MGPQQGTHSA-N 2 2 274.405 0.425 20 0 CCADLP CC[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)CCOC)C[C@@H](C)O1 ZINC000583092331 329314507 /nfs/dbraw/zinc/31/45/07/329314507.db2.gz LSFVVJIPMAVQGX-MGPQQGTHSA-N 2 2 274.405 0.425 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](CCN2CCCC2=O)CC1 ZINC000583211506 329368153 /nfs/dbraw/zinc/36/81/53/329368153.db2.gz ASIWRKFUZZRNFA-UHFFFAOYSA-N 2 2 283.416 0.434 20 0 CCADLP C[C@H]1C[C@H]1C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000575377047 335099333 /nfs/dbraw/zinc/09/93/33/335099333.db2.gz DYIWATUSDVZJFA-PDWCTOEPSA-N 2 2 256.390 0.702 20 0 CCADLP C[C@H]1C[C@H]1C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000575377047 335099334 /nfs/dbraw/zinc/09/93/34/335099334.db2.gz DYIWATUSDVZJFA-PDWCTOEPSA-N 2 2 256.390 0.702 20 0 CCADLP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000575900194 335129466 /nfs/dbraw/zinc/12/94/66/335129466.db2.gz NKKCFRDOLRNWTR-OLZOCXBDSA-N 3 2 285.436 0.001 20 0 CCADLP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000575900194 335129468 /nfs/dbraw/zinc/12/94/68/335129468.db2.gz NKKCFRDOLRNWTR-OLZOCXBDSA-N 3 2 285.436 0.001 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCOC2(CCOCC2)CC1)C1CC1 ZINC000576031651 335143529 /nfs/dbraw/zinc/14/35/29/335143529.db2.gz IZEUDXCRKSZFMW-OAHLLOKOSA-N 2 2 298.427 0.713 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCOC2(CCOCC2)CC1)C1CC1 ZINC000576031651 335143530 /nfs/dbraw/zinc/14/35/30/335143530.db2.gz IZEUDXCRKSZFMW-OAHLLOKOSA-N 2 2 298.427 0.713 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCOC2(CCOCC2)CC1)C1CC1 ZINC000576031651 335143531 /nfs/dbraw/zinc/14/35/31/335143531.db2.gz IZEUDXCRKSZFMW-OAHLLOKOSA-N 2 2 298.427 0.713 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCOC2(CCOCC2)CC1)C1CC1 ZINC000576031651 335143532 /nfs/dbraw/zinc/14/35/32/335143532.db2.gz IZEUDXCRKSZFMW-OAHLLOKOSA-N 2 2 298.427 0.713 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000576231301 335175091 /nfs/dbraw/zinc/17/50/91/335175091.db2.gz BTUFZORUVMHEHZ-VXGBXAGGSA-N 2 2 258.325 0.664 20 0 CCADLP COC[C@@H](C)OC[C@H](O)C[NH2+]Cc1ccn2cc[nH+]c2c1 ZINC000565535499 334571836 /nfs/dbraw/zinc/57/18/36/334571836.db2.gz IBTOZVMNOVNDGA-TZMCWYRMSA-N 2 2 293.367 0.836 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCc2ccco2)C[C@@H](C)O1 ZINC000566107098 334623519 /nfs/dbraw/zinc/62/35/19/334623519.db2.gz FGDADMUXENWAFC-MGPQQGTHSA-N 2 2 282.384 0.882 20 0 CCADLP [NH3+]Cc1cc(C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)co1 ZINC000573119190 334910039 /nfs/dbraw/zinc/91/00/39/334910039.db2.gz GBYCFADIRWWMLS-AWEZNQCLSA-N 2 2 286.335 0.920 20 0 CCADLP CC(C)[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000576396412 335198224 /nfs/dbraw/zinc/19/82/24/335198224.db2.gz XTFSTOKISXAXIC-CYBMUJFWSA-N 2 2 280.372 0.356 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000576451331 335204863 /nfs/dbraw/zinc/20/48/63/335204863.db2.gz VQQWLKOAAINYRG-UKRRQHHQSA-N 2 2 298.431 0.396 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000576451331 335204864 /nfs/dbraw/zinc/20/48/64/335204864.db2.gz VQQWLKOAAINYRG-UKRRQHHQSA-N 2 2 298.431 0.396 20 0 CCADLP C[C@@H](C(=O)N1CCN(c2[nH]cc[nH+]2)CC1)[NH+]1CC(C)C1 ZINC000576477167 335209363 /nfs/dbraw/zinc/20/93/63/335209363.db2.gz BTROXDSROQXCDQ-LBPRGKRZSA-N 2 2 277.372 0.399 20 0 CCADLP CC1(C)CN(C(=O)[C@@H]([NH3+])c2cscn2)CC[NH2+]1 ZINC000576516550 335213371 /nfs/dbraw/zinc/21/33/71/335213371.db2.gz FRGINCIWEOFCIV-VIFPVBQESA-N 2 2 254.359 0.353 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](O)CC12CCC2 ZINC000576954904 335269414 /nfs/dbraw/zinc/26/94/14/335269414.db2.gz RQAZGURIXPVCFZ-UONOGXRCSA-N 2 2 286.416 0.305 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](O)CC12CCC2 ZINC000576954904 335269415 /nfs/dbraw/zinc/26/94/15/335269415.db2.gz RQAZGURIXPVCFZ-UONOGXRCSA-N 2 2 286.416 0.305 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000576954904 335269416 /nfs/dbraw/zinc/26/94/16/335269416.db2.gz RQAZGURIXPVCFZ-UONOGXRCSA-N 2 2 286.416 0.305 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](O)CC12CCC2 ZINC000576954904 335269417 /nfs/dbraw/zinc/26/94/17/335269417.db2.gz RQAZGURIXPVCFZ-UONOGXRCSA-N 2 2 286.416 0.305 20 0 CCADLP Cc1cccn2cc(CC(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)[nH+]c12 ZINC000576994095 335275290 /nfs/dbraw/zinc/27/52/90/335275290.db2.gz JKRNESUPMVSIFT-BETUJISGSA-N 2 2 284.363 0.863 20 0 CCADLP Cc1c[nH+]c(C)nc1N1CCC([NH2+]CCO)CC1 ZINC000577030167 335284787 /nfs/dbraw/zinc/28/47/87/335284787.db2.gz ZMCQMEUKECPWBN-UHFFFAOYSA-N 2 2 250.346 0.644 20 0 CCADLP COC(=O)CC[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000577506495 335361641 /nfs/dbraw/zinc/36/16/41/335361641.db2.gz XYKVPQLLFCJVGQ-GFCCVEGCSA-N 2 2 270.373 0.735 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177382130 335371389 /nfs/dbraw/zinc/37/13/89/335371389.db2.gz XTBMSELSEUGGNR-UHFFFAOYSA-N 2 2 284.448 0.469 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177382130 335371390 /nfs/dbraw/zinc/37/13/90/335371390.db2.gz XTBMSELSEUGGNR-UHFFFAOYSA-N 2 2 284.448 0.469 20 0 CCADLP CC(C)NC(=O)CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177382130 335371392 /nfs/dbraw/zinc/37/13/92/335371392.db2.gz XTBMSELSEUGGNR-UHFFFAOYSA-N 2 2 284.448 0.469 20 0 CCADLP CC(C)NC(=O)CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177382130 335371393 /nfs/dbraw/zinc/37/13/93/335371393.db2.gz XTBMSELSEUGGNR-UHFFFAOYSA-N 2 2 284.448 0.469 20 0 CCADLP COC[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000347373442 335376867 /nfs/dbraw/zinc/37/68/67/335376867.db2.gz QVNCUVQJLVIXEA-STQMWFEESA-N 2 2 271.405 0.554 20 0 CCADLP COC[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000347373442 335376868 /nfs/dbraw/zinc/37/68/68/335376868.db2.gz QVNCUVQJLVIXEA-STQMWFEESA-N 2 2 271.405 0.554 20 0 CCADLP COc1c(N)[nH+]cnc1NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000577626813 335381672 /nfs/dbraw/zinc/38/16/72/335381672.db2.gz UHIZDLXLJCHIJK-JTQLQIEISA-N 2 2 288.355 0.984 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000577629908 335382616 /nfs/dbraw/zinc/38/26/16/335382616.db2.gz UTOBWAHMGUXZSM-CYBMUJFWSA-N 2 2 250.346 0.731 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000578320836 335607833 /nfs/dbraw/zinc/60/78/33/335607833.db2.gz FWTOETVYZWWFTM-CYDGBPFRSA-N 2 2 286.420 0.521 20 0 CCADLP COc1cc(C)[nH+]c(CNC[C@H]2C[NH2+]CCCO2)c1 ZINC000579211966 335721842 /nfs/dbraw/zinc/72/18/42/335721842.db2.gz GTOVAAXLHSEZLP-CQSZACIVSA-N 2 2 265.357 0.867 20 0 CCADLP CC(C)c1nc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc[nH+]1 ZINC000579613350 335822887 /nfs/dbraw/zinc/82/28/87/335822887.db2.gz MJJKLUNSENODBC-QWRGUYRKSA-N 2 2 275.356 0.348 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCCc3occc32)[C@H](C[NH3+])C1 ZINC000581180394 336019959 /nfs/dbraw/zinc/01/99/59/336019959.db2.gz GCNMMXMWKAEEHG-YPMHNXCESA-N 2 2 292.383 0.941 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@H]2CCCc3occc32)[C@H](C[NH3+])C1 ZINC000581180394 336019960 /nfs/dbraw/zinc/01/99/60/336019960.db2.gz GCNMMXMWKAEEHG-YPMHNXCESA-N 2 2 292.383 0.941 20 0 CCADLP CCc1cnc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])s1 ZINC000581238685 336029196 /nfs/dbraw/zinc/02/91/96/336029196.db2.gz KUKCJHUPCJUWFI-VIFPVBQESA-N 2 2 283.401 0.812 20 0 CCADLP CCc1cnc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])s1 ZINC000581238685 336029197 /nfs/dbraw/zinc/02/91/97/336029197.db2.gz KUKCJHUPCJUWFI-VIFPVBQESA-N 2 2 283.401 0.812 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCOCC2CCC2)[C@@H](C[NH3+])C1 ZINC000581240489 336029553 /nfs/dbraw/zinc/02/95/53/336029553.db2.gz DVNJQCSCTKHQCK-ZDUSSCGKSA-N 2 2 284.404 0.087 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCOCC2CCC2)[C@@H](C[NH3+])C1 ZINC000581240489 336029554 /nfs/dbraw/zinc/02/95/54/336029554.db2.gz DVNJQCSCTKHQCK-ZDUSSCGKSA-N 2 2 284.404 0.087 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])C1 ZINC000581304537 336043631 /nfs/dbraw/zinc/04/36/31/336043631.db2.gz JQACWPCPBXWHRX-ZJIFWQFVSA-N 3 2 299.459 0.685 20 0 CCADLP [NH3+][C@@H]1CCCC[C@H]1CC(=O)NCCc1[nH]cc[nH+]1 ZINC000381049516 336047189 /nfs/dbraw/zinc/04/71/89/336047189.db2.gz YHEOCVZLJQZMQB-WDEREUQCSA-N 2 2 250.346 0.976 20 0 CCADLP CC(=O)[C@@H](NC(=O)C[NH2+]CC1([NH3+])CCC1)C(C)C ZINC000581489609 336088620 /nfs/dbraw/zinc/08/86/20/336088620.db2.gz WUJKTLGTCZESEF-LBPRGKRZSA-N 2 2 255.362 0.187 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCS[C@H](C)C1 ZINC000383566605 336114331 /nfs/dbraw/zinc/11/43/31/336114331.db2.gz JFYIGLXDCUGEJK-NEPJUHHUSA-N 2 2 262.419 0.363 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCS[C@H](C)C1 ZINC000383566605 336114327 /nfs/dbraw/zinc/11/43/27/336114327.db2.gz JFYIGLXDCUGEJK-NEPJUHHUSA-N 2 2 262.419 0.363 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCS[C@H](C)C1 ZINC000383566605 336114328 /nfs/dbraw/zinc/11/43/28/336114328.db2.gz JFYIGLXDCUGEJK-NEPJUHHUSA-N 2 2 262.419 0.363 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCS[C@H](C)C1 ZINC000383566605 336114330 /nfs/dbraw/zinc/11/43/30/336114330.db2.gz JFYIGLXDCUGEJK-NEPJUHHUSA-N 2 2 262.419 0.363 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccc(O)c1 ZINC000383645577 336116123 /nfs/dbraw/zinc/11/61/23/336116123.db2.gz OLRCSIOJOTXIGW-DOMZBBRYSA-N 2 2 282.384 0.982 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccc(O)c1 ZINC000383645577 336116124 /nfs/dbraw/zinc/11/61/24/336116124.db2.gz OLRCSIOJOTXIGW-DOMZBBRYSA-N 2 2 282.384 0.982 20 0 CCADLP Cn1cc[nH+]c1[C@@H](NC(=O)[C@H]1CC[NH2+]1)c1ccccc1 ZINC000384795706 336131520 /nfs/dbraw/zinc/13/15/20/336131520.db2.gz XWVRZCOZGGZCTH-OLZOCXBDSA-N 2 2 270.336 0.988 20 0 CCADLP CC[C@@H]1C[C@H]1[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581812060 336146777 /nfs/dbraw/zinc/14/67/77/336146777.db2.gz MABDXDUBGKTOCI-XHJNMGKDSA-N 2 2 256.390 0.845 20 0 CCADLP CC[C@@H]1C[C@H]1[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581812060 336146778 /nfs/dbraw/zinc/14/67/78/336146778.db2.gz MABDXDUBGKTOCI-XHJNMGKDSA-N 2 2 256.390 0.845 20 0 CCADLP CC1(C)C[NH+](CC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC000581893977 336162235 /nfs/dbraw/zinc/16/22/35/336162235.db2.gz FMNJZFPPOKMHNR-ZDUSSCGKSA-N 2 2 283.416 0.291 20 0 CCADLP CC1(C)C[NH+](CC(=O)NC[C@@H]2CCC[N@H+]2CCCO)C1 ZINC000581893977 336162236 /nfs/dbraw/zinc/16/22/36/336162236.db2.gz FMNJZFPPOKMHNR-ZDUSSCGKSA-N 2 2 283.416 0.291 20 0 CCADLP Cc1c(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cnn1C ZINC000386145168 336166953 /nfs/dbraw/zinc/16/69/53/336166953.db2.gz OETSGXYDBSNQBJ-CYBMUJFWSA-N 2 2 252.362 0.273 20 0 CCADLP Cc1c(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cnn1C ZINC000386145168 336166954 /nfs/dbraw/zinc/16/69/54/336166954.db2.gz OETSGXYDBSNQBJ-CYBMUJFWSA-N 2 2 252.362 0.273 20 0 CCADLP CCOCCOC[C@H](O)C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000357857697 519999958 /nfs/dbraw/zinc/99/99/58/519999958.db2.gz VOBXDGDRTDVWDZ-KCQAQPDRSA-N 2 2 286.416 0.615 20 0 CCADLP CCOCCOC[C@H](O)C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000357857697 519999964 /nfs/dbraw/zinc/99/99/64/519999964.db2.gz VOBXDGDRTDVWDZ-KCQAQPDRSA-N 2 2 286.416 0.615 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000405497550 545092544 /nfs/dbraw/zinc/09/25/44/545092544.db2.gz BKKUACPFUNECBK-MELADBBJSA-N 2 2 280.416 0.010 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000405497550 545092545 /nfs/dbraw/zinc/09/25/45/545092545.db2.gz BKKUACPFUNECBK-MELADBBJSA-N 2 2 280.416 0.010 20 0 CCADLP C[C@@H](C[NH3+])CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000418467273 533761781 /nfs/dbraw/zinc/76/17/81/533761781.db2.gz IDUPHUBLSZTVSM-ZDUSSCGKSA-N 2 2 291.399 0.504 20 0 CCADLP C[C@@H](C[NH3+])NC(=O)NCCCCNc1cccc[nH+]1 ZINC000418577257 533801025 /nfs/dbraw/zinc/80/10/25/533801025.db2.gz YNHJAJDILZKXPN-NSHDSACASA-N 2 2 265.361 0.920 20 0 CCADLP COCC[C@H](C)[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000447377391 545096363 /nfs/dbraw/zinc/09/63/63/545096363.db2.gz WFQSVOUDMWFRJM-ZDUSSCGKSA-N 2 2 266.389 0.963 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000423561256 534082075 /nfs/dbraw/zinc/08/20/75/534082075.db2.gz VOGMDIKUHKQLDF-SNPRPXQTSA-N 2 2 295.427 0.602 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000423561256 534082080 /nfs/dbraw/zinc/08/20/80/534082080.db2.gz VOGMDIKUHKQLDF-SNPRPXQTSA-N 2 2 295.427 0.602 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[NH+]1CCOCC1 ZINC000355408706 534146919 /nfs/dbraw/zinc/14/69/19/534146919.db2.gz GAPCUQRTRZQPEF-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH+](CC)CCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000049152940 520674608 /nfs/dbraw/zinc/67/46/08/520674608.db2.gz HAKFJRXEFNAONI-LBPRGKRZSA-N 2 2 267.377 0.913 20 0 CCADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000340868612 520696299 /nfs/dbraw/zinc/69/62/99/520696299.db2.gz JOMOCUQFUYHXTN-NSHDSACASA-N 2 2 283.376 0.443 20 0 CCADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000340868612 520696306 /nfs/dbraw/zinc/69/63/06/520696306.db2.gz JOMOCUQFUYHXTN-NSHDSACASA-N 2 2 283.376 0.443 20 0 CCADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000340868611 520696499 /nfs/dbraw/zinc/69/64/99/520696499.db2.gz JOMOCUQFUYHXTN-LLVKDONJSA-N 2 2 283.376 0.443 20 0 CCADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2n[nH]c(=O)[nH]2)C1 ZINC000340868611 520696506 /nfs/dbraw/zinc/69/65/06/520696506.db2.gz JOMOCUQFUYHXTN-LLVKDONJSA-N 2 2 283.376 0.443 20 0 CCADLP O=C(NC[C@@H]1CCC[NH2+]C1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000422760407 534576303 /nfs/dbraw/zinc/57/63/03/534576303.db2.gz MDBSXDAIJIRQJG-GFCCVEGCSA-N 2 2 285.351 0.997 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000366534119 523848403 /nfs/dbraw/zinc/84/84/03/523848403.db2.gz JXKJCLKCWJFOSZ-STQMWFEESA-N 2 2 274.430 0.837 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000366534119 523848406 /nfs/dbraw/zinc/84/84/06/523848406.db2.gz JXKJCLKCWJFOSZ-STQMWFEESA-N 2 2 274.430 0.837 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000366534119 523848408 /nfs/dbraw/zinc/84/84/08/523848408.db2.gz JXKJCLKCWJFOSZ-STQMWFEESA-N 2 2 274.430 0.837 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000366534119 523848410 /nfs/dbraw/zinc/84/84/10/523848410.db2.gz JXKJCLKCWJFOSZ-STQMWFEESA-N 2 2 274.430 0.837 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000055090823 524355461 /nfs/dbraw/zinc/35/54/61/524355461.db2.gz HZIIKAPCRNYWFF-AGIUHOORSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364425891 524472076 /nfs/dbraw/zinc/47/20/76/524472076.db2.gz PIPVYOOSBMNKQM-RYUDHWBXSA-N 2 2 264.373 0.902 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000156534205 525001223 /nfs/dbraw/zinc/00/12/23/525001223.db2.gz NOWOAISSMZKQIW-CHWSQXEVSA-N 2 2 276.384 0.709 20 0 CCADLP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358254059 534850806 /nfs/dbraw/zinc/85/08/06/534850806.db2.gz OYEQIMHBMQGFSF-GWCFXTLKSA-N 2 2 252.362 0.446 20 0 CCADLP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358254059 534850808 /nfs/dbraw/zinc/85/08/08/534850808.db2.gz OYEQIMHBMQGFSF-GWCFXTLKSA-N 2 2 252.362 0.446 20 0 CCADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccncc1F ZINC000340361599 525489964 /nfs/dbraw/zinc/48/99/64/525489964.db2.gz XXASXEQKRCHQCY-MFKMUULPSA-N 2 2 253.321 0.938 20 0 CCADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccncc1F ZINC000340361599 525489971 /nfs/dbraw/zinc/48/99/71/525489971.db2.gz XXASXEQKRCHQCY-MFKMUULPSA-N 2 2 253.321 0.938 20 0 CCADLP C[C@H](O)C[C@@H]1COCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000156938939 525798819 /nfs/dbraw/zinc/79/88/19/525798819.db2.gz AFGORBNASHWBSO-MELADBBJSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@H](O)C[C@@H]1COCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000156938939 525798824 /nfs/dbraw/zinc/79/88/24/525798824.db2.gz AFGORBNASHWBSO-MELADBBJSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@H](O)C[C@@H]1COCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000156938939 525798836 /nfs/dbraw/zinc/79/88/36/525798836.db2.gz AFGORBNASHWBSO-MELADBBJSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@H](O)C[C@@H]1COCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000156938939 525798846 /nfs/dbraw/zinc/79/88/46/525798846.db2.gz AFGORBNASHWBSO-MELADBBJSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366558905 526064586 /nfs/dbraw/zinc/06/45/86/526064586.db2.gz MHEIRXKTDRDEGV-IJEWVQPXSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366558905 526064594 /nfs/dbraw/zinc/06/45/94/526064594.db2.gz MHEIRXKTDRDEGV-IJEWVQPXSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366558905 526064603 /nfs/dbraw/zinc/06/46/03/526064603.db2.gz MHEIRXKTDRDEGV-IJEWVQPXSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366558905 526064608 /nfs/dbraw/zinc/06/46/08/526064608.db2.gz MHEIRXKTDRDEGV-IJEWVQPXSA-N 2 2 295.427 0.698 20 0 CCADLP CC(C)[C@H](C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)[NH+](C)C ZINC000344348832 534910611 /nfs/dbraw/zinc/91/06/11/534910611.db2.gz RKZSXOBYHOEHKA-GXFFZTMASA-N 2 2 264.373 0.969 20 0 CCADLP CC(C)[C@H](C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)[NH+](C)C ZINC000344348832 534910614 /nfs/dbraw/zinc/91/06/14/534910614.db2.gz RKZSXOBYHOEHKA-GXFFZTMASA-N 2 2 264.373 0.969 20 0 CCADLP C[NH2+]C[C@](C)(O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000515856598 536468776 /nfs/dbraw/zinc/46/87/76/536468776.db2.gz WPHWSILUQKCROS-HNNXBMFYSA-N 2 2 278.400 0.170 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1COCC[NH2+]1 ZINC000370763874 526920496 /nfs/dbraw/zinc/92/04/96/526920496.db2.gz QONSWJWEDGLJTN-DGCLKSJQSA-N 2 2 267.373 0.108 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@H]1COCC[NH2+]1 ZINC000370763874 526920503 /nfs/dbraw/zinc/92/05/03/526920503.db2.gz QONSWJWEDGLJTN-DGCLKSJQSA-N 2 2 267.373 0.108 20 0 CCADLP C[NH+](C)C1(C(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000666800520 545131349 /nfs/dbraw/zinc/13/13/49/545131349.db2.gz CZEPITHAVBWPLQ-UHFFFAOYSA-N 2 2 251.374 0.635 20 0 CCADLP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000666913049 545133651 /nfs/dbraw/zinc/13/36/51/545133651.db2.gz BYBYEPZPVVZRLD-NWDGAFQWSA-N 2 2 276.384 0.973 20 0 CCADLP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000666913049 545133652 /nfs/dbraw/zinc/13/36/52/545133652.db2.gz BYBYEPZPVVZRLD-NWDGAFQWSA-N 2 2 276.384 0.973 20 0 CCADLP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000666913049 545133653 /nfs/dbraw/zinc/13/36/53/545133653.db2.gz BYBYEPZPVVZRLD-NWDGAFQWSA-N 2 2 276.384 0.973 20 0 CCADLP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000666913049 545133654 /nfs/dbraw/zinc/13/36/54/545133654.db2.gz BYBYEPZPVVZRLD-NWDGAFQWSA-N 2 2 276.384 0.973 20 0 CCADLP CCc1noc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000667142645 545139450 /nfs/dbraw/zinc/13/94/50/545139450.db2.gz VYJXYSKYKXXMIZ-UHFFFAOYSA-N 2 2 298.391 0.637 20 0 CCADLP CCc1noc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000667142645 545139451 /nfs/dbraw/zinc/13/94/51/545139451.db2.gz VYJXYSKYKXXMIZ-UHFFFAOYSA-N 2 2 298.391 0.637 20 0 CCADLP Cn1cc(N2CC[NH+](CCCn3cc[nH+]c3)CC2)cn1 ZINC000182808177 527251423 /nfs/dbraw/zinc/25/14/23/527251423.db2.gz FDRQQRKRYCCIJH-UHFFFAOYSA-N 2 2 274.372 0.829 20 0 CCADLP OCCO[C@@H]1CCC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667617465 545151440 /nfs/dbraw/zinc/15/14/40/545151440.db2.gz SCQXJNIRXRNENL-CYBMUJFWSA-N 2 2 265.357 0.803 20 0 CCADLP OCCO[C@@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667617465 545151441 /nfs/dbraw/zinc/15/14/41/545151441.db2.gz SCQXJNIRXRNENL-CYBMUJFWSA-N 2 2 265.357 0.803 20 0 CCADLP OCCC[N@H+](CCO)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667619149 545151914 /nfs/dbraw/zinc/15/19/14/545151914.db2.gz UNLGTXOVGYWRIE-UHFFFAOYSA-N 2 2 276.340 0.444 20 0 CCADLP NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668042224 545162312 /nfs/dbraw/zinc/16/23/12/545162312.db2.gz NHPPBEXRYLRJGQ-QKCSRTOESA-N 2 2 274.368 0.915 20 0 CCADLP NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668042224 545162313 /nfs/dbraw/zinc/16/23/13/545162313.db2.gz NHPPBEXRYLRJGQ-QKCSRTOESA-N 2 2 274.368 0.915 20 0 CCADLP C[NH+](C)C1(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000668168806 545166032 /nfs/dbraw/zinc/16/60/32/545166032.db2.gz BCWJHKYCZUXNDR-UHFFFAOYSA-N 2 2 269.389 0.308 20 0 CCADLP C[NH+](C)C1(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000668168806 545166033 /nfs/dbraw/zinc/16/60/33/545166033.db2.gz BCWJHKYCZUXNDR-UHFFFAOYSA-N 2 2 269.389 0.308 20 0 CCADLP CCNC(=O)C1C[NH+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668231811 545168516 /nfs/dbraw/zinc/16/85/16/545168516.db2.gz NXFKYIPEXDPJKJ-UHFFFAOYSA-N 2 2 285.351 0.835 20 0 CCADLP OCCn1ncc2c1CCC[C@@H]2[NH2+]Cc1c[nH+]c[nH]1 ZINC000054764976 527577471 /nfs/dbraw/zinc/57/74/71/527577471.db2.gz DJSAIRPTQINNDF-LBPRGKRZSA-N 2 2 261.329 0.766 20 0 CCADLP Cn1ncnc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000157947523 527632324 /nfs/dbraw/zinc/63/23/24/527632324.db2.gz LNOZOQGXJSIDOF-UHFFFAOYSA-N 2 2 279.388 0.359 20 0 CCADLP Cc1ccc([C@@H](C)NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])o1 ZINC000668709461 545188339 /nfs/dbraw/zinc/18/83/39/545188339.db2.gz RIKUYAZASCWGCA-VXGBXAGGSA-N 2 2 280.372 0.933 20 0 CCADLP Cc1c[nH]nc1C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000668793250 545190736 /nfs/dbraw/zinc/19/07/36/545190736.db2.gz UYDDREBGVKORHK-UHFFFAOYSA-N 2 2 260.345 0.774 20 0 CCADLP Cc1[nH+]cc(C[N@H+](C)C2(CO)CCOCC2)n1C ZINC000668804259 545191123 /nfs/dbraw/zinc/19/11/23/545191123.db2.gz NSMOMEURMHILJV-UHFFFAOYSA-N 2 2 253.346 0.702 20 0 CCADLP Cc1[nH+]cc(C[N@@H+](C)C2(CO)CCOCC2)n1C ZINC000668804259 545191124 /nfs/dbraw/zinc/19/11/24/545191124.db2.gz NSMOMEURMHILJV-UHFFFAOYSA-N 2 2 253.346 0.702 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424369336 527913541 /nfs/dbraw/zinc/91/35/41/527913541.db2.gz BLCRXPORSLNVRC-DDHJBXDOSA-N 2 2 255.362 0.140 20 0 CCADLP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424369336 527913544 /nfs/dbraw/zinc/91/35/44/527913544.db2.gz BLCRXPORSLNVRC-DDHJBXDOSA-N 2 2 255.362 0.140 20 0 CCADLP CC(C)[C@](C)(O)C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422981843 527968193 /nfs/dbraw/zinc/96/81/93/527968193.db2.gz UPJIJUNIAMYBFI-MELADBBJSA-N 2 2 256.390 0.750 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428031979 528046960 /nfs/dbraw/zinc/04/69/60/528046960.db2.gz MHYCMVSVFCTHJA-XQQFMLRXSA-N 2 2 296.415 0.541 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428031979 528046963 /nfs/dbraw/zinc/04/69/63/528046963.db2.gz MHYCMVSVFCTHJA-XQQFMLRXSA-N 2 2 296.415 0.541 20 0 CCADLP O=C(NCCCNc1cccc[nH+]1)NCC[NH2+]C1CC1 ZINC000669388074 545206274 /nfs/dbraw/zinc/20/62/74/545206274.db2.gz UDYLWGCZOXCWND-UHFFFAOYSA-N 2 2 277.372 0.935 20 0 CCADLP CC(C)c1cc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])on1 ZINC000669482269 545209439 /nfs/dbraw/zinc/20/94/39/545209439.db2.gz HIDCQKHHANNOFD-LLVKDONJSA-N 2 2 295.387 0.582 20 0 CCADLP CC(C)c1cc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])on1 ZINC000669482269 545209440 /nfs/dbraw/zinc/20/94/40/545209440.db2.gz HIDCQKHHANNOFD-LLVKDONJSA-N 2 2 295.387 0.582 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493526072 528165455 /nfs/dbraw/zinc/16/54/55/528165455.db2.gz VOBZNVUSVFPTSF-FYJFLYSWSA-N 2 2 280.372 0.632 20 0 CCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000669529813 545212745 /nfs/dbraw/zinc/21/27/45/545212745.db2.gz DAGSEIMFUPKYAW-UONOGXRCSA-N 3 2 297.447 0.145 20 0 CCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000669529813 545212746 /nfs/dbraw/zinc/21/27/46/545212746.db2.gz DAGSEIMFUPKYAW-UONOGXRCSA-N 3 2 297.447 0.145 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)NC[C@@H](C)[NH3+])cn21 ZINC000669554558 545214551 /nfs/dbraw/zinc/21/45/51/545214551.db2.gz ROKISUDLOBQOKJ-SECBINFHSA-N 2 2 261.329 0.789 20 0 CCADLP CC[N@@H+]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC000669908647 545222851 /nfs/dbraw/zinc/22/28/51/545222851.db2.gz CJUYAHCJJRVTNQ-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP CC[N@H+]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C[C@H]1C ZINC000669908647 545222852 /nfs/dbraw/zinc/22/28/52/545222852.db2.gz CJUYAHCJJRVTNQ-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP CN(C)c1c[nH+]ccc1NC(=O)N1CC([NH+](C)C)C1 ZINC000670075766 545228056 /nfs/dbraw/zinc/22/80/56/545228056.db2.gz FUIFVOBFUHUPAG-UHFFFAOYSA-N 2 2 263.345 0.347 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@H](C)[NH2+]C1CC1)[NH+]1CCOCC1 ZINC000449075642 528459530 /nfs/dbraw/zinc/45/95/30/528459530.db2.gz NTYUPCSJBYKFMT-GXTWGEPZSA-N 2 2 283.416 0.600 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000424015917 528472578 /nfs/dbraw/zinc/47/25/78/528472578.db2.gz CYGPJMOCMWWXLR-UONOGXRCSA-N 2 2 299.415 0.064 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000424015917 528472582 /nfs/dbraw/zinc/47/25/82/528472582.db2.gz CYGPJMOCMWWXLR-UONOGXRCSA-N 2 2 299.415 0.064 20 0 CCADLP CCC[NH2+]CCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000417927357 528502571 /nfs/dbraw/zinc/50/25/71/528502571.db2.gz PWZVSEULNIODRH-CYBMUJFWSA-N 2 2 291.399 0.959 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000449113999 528539760 /nfs/dbraw/zinc/53/97/60/528539760.db2.gz BOMWBVSINSTAHP-RYUDHWBXSA-N 2 2 257.378 0.211 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000449113999 528539764 /nfs/dbraw/zinc/53/97/64/528539764.db2.gz BOMWBVSINSTAHP-RYUDHWBXSA-N 2 2 257.378 0.211 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428035531 528597235 /nfs/dbraw/zinc/59/72/35/528597235.db2.gz VEEGNKVOMULUEI-ZIAGYGMSSA-N 2 2 283.416 0.603 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428035531 528597241 /nfs/dbraw/zinc/59/72/41/528597241.db2.gz VEEGNKVOMULUEI-ZIAGYGMSSA-N 2 2 283.416 0.603 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)C2([NH3+])CCC2)CC1 ZINC000449317304 528736453 /nfs/dbraw/zinc/73/64/53/528736453.db2.gz AUIACNDNFKAELV-UHFFFAOYSA-N 2 2 255.362 0.049 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]CCC2CS(=O)(=O)C2)[C@@H]2CCC[C@H]21 ZINC000671761984 545259488 /nfs/dbraw/zinc/25/94/88/545259488.db2.gz OIFONRGYDVCYNS-MELADBBJSA-N 2 2 286.441 0.884 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]CCC2CS(=O)(=O)C2)[C@@H]2CCC[C@H]21 ZINC000671761984 545259489 /nfs/dbraw/zinc/25/94/89/545259489.db2.gz OIFONRGYDVCYNS-MELADBBJSA-N 2 2 286.441 0.884 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672147574 545263160 /nfs/dbraw/zinc/26/31/60/545263160.db2.gz QJUHNZUKJQGVST-LLVKDONJSA-N 2 2 259.313 0.601 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672158371 545264012 /nfs/dbraw/zinc/26/40/12/545264012.db2.gz XFOUHYUWVVTROJ-QWHCGFSZSA-N 2 2 292.383 0.282 20 0 CCADLP C([C@H]1CC[N@@H+]([C@H]2CCCOC2)C1)[NH+]1CCOCC1 ZINC000674302229 545303702 /nfs/dbraw/zinc/30/37/02/545303702.db2.gz KOARYENHHOSWFQ-KGLIPLIRSA-N 2 2 254.374 0.820 20 0 CCADLP C([C@H]1CC[N@H+]([C@H]2CCCOC2)C1)[NH+]1CCOCC1 ZINC000674302229 545303703 /nfs/dbraw/zinc/30/37/03/545303703.db2.gz KOARYENHHOSWFQ-KGLIPLIRSA-N 2 2 254.374 0.820 20 0 CCADLP CCn1nc2c(cc1=O)C[N@@H+](Cc1c[nH+]cn1C)CC2 ZINC000674371581 545305247 /nfs/dbraw/zinc/30/52/47/545305247.db2.gz BREPGQXFIUFOQJ-UHFFFAOYSA-N 2 2 273.340 0.555 20 0 CCADLP CCn1nc2c(cc1=O)C[N@H+](Cc1c[nH+]cn1C)CC2 ZINC000674371581 545305248 /nfs/dbraw/zinc/30/52/48/545305248.db2.gz BREPGQXFIUFOQJ-UHFFFAOYSA-N 2 2 273.340 0.555 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000676303905 545340800 /nfs/dbraw/zinc/34/08/00/545340800.db2.gz BDUKXYSRSYIMEQ-KBPBESRZSA-N 2 2 298.431 0.441 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000676303905 545340801 /nfs/dbraw/zinc/34/08/01/545340801.db2.gz BDUKXYSRSYIMEQ-KBPBESRZSA-N 2 2 298.431 0.441 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676340387 545342094 /nfs/dbraw/zinc/34/20/94/545342094.db2.gz DDWQAYLBGQFTCU-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676340387 545342095 /nfs/dbraw/zinc/34/20/95/545342095.db2.gz DDWQAYLBGQFTCU-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)[C@H]1C[NH+](C)CCO1 ZINC000676348211 545342279 /nfs/dbraw/zinc/34/22/79/545342279.db2.gz QXRAIIHEFNGTHD-MGPQQGTHSA-N 2 2 283.416 0.696 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)[C@H]1C[NH+](C)CCO1 ZINC000676348211 545342280 /nfs/dbraw/zinc/34/22/80/545342280.db2.gz QXRAIIHEFNGTHD-MGPQQGTHSA-N 2 2 283.416 0.696 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000676348211 545342281 /nfs/dbraw/zinc/34/22/81/545342281.db2.gz QXRAIIHEFNGTHD-MGPQQGTHSA-N 2 2 283.416 0.696 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000676348211 545342282 /nfs/dbraw/zinc/34/22/82/545342282.db2.gz QXRAIIHEFNGTHD-MGPQQGTHSA-N 2 2 283.416 0.696 20 0 CCADLP CC(C)(C)[C@H](O)C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000676373238 545342640 /nfs/dbraw/zinc/34/26/40/545342640.db2.gz KNPCIXSYHKFZCO-UONOGXRCSA-N 2 2 297.443 0.808 20 0 CCADLP CC(C)(C)[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000676373238 545342641 /nfs/dbraw/zinc/34/26/41/545342641.db2.gz KNPCIXSYHKFZCO-UONOGXRCSA-N 2 2 297.443 0.808 20 0 CCADLP CCO[C@H](CC[NH+](C)C)CNC(=O)c1c[nH+]c(C)[nH]1 ZINC000269070381 535596274 /nfs/dbraw/zinc/59/62/74/535596274.db2.gz STJVFUXYOQDKFS-LLVKDONJSA-N 2 2 268.361 0.805 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCO[C@@H](C3CC3)C2)CC1 ZINC000362562915 535638203 /nfs/dbraw/zinc/63/82/03/535638203.db2.gz VGDFGFNKUHZFES-DZGCQCFKSA-N 2 2 295.427 0.650 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCO[C@@H](C3CC3)C2)CC1 ZINC000362562915 535638208 /nfs/dbraw/zinc/63/82/08/535638208.db2.gz VGDFGFNKUHZFES-DZGCQCFKSA-N 2 2 295.427 0.650 20 0 CCADLP CCN1CC[NH+](CCC(=O)N2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000341780621 535678330 /nfs/dbraw/zinc/67/83/30/535678330.db2.gz SIQBDJZKGRYOFE-OAHLLOKOSA-N 2 2 296.459 0.567 20 0 CCADLP CCN1CC[NH+](CCC(=O)N2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000341780621 535678334 /nfs/dbraw/zinc/67/83/34/535678334.db2.gz SIQBDJZKGRYOFE-OAHLLOKOSA-N 2 2 296.459 0.567 20 0 CCADLP CCN1CC[NH+](CCCC[NH2+][C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000343304344 535694664 /nfs/dbraw/zinc/69/46/64/535694664.db2.gz OKTCDOOYDBNNBA-CVEARBPZSA-N 3 2 282.476 0.944 20 0 CCADLP CCN1CC[NH+](CCCC[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000343304344 535694667 /nfs/dbraw/zinc/69/46/67/535694667.db2.gz OKTCDOOYDBNNBA-CVEARBPZSA-N 3 2 282.476 0.944 20 0 CCADLP CC[N@H+](CC(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC000676844069 545353961 /nfs/dbraw/zinc/35/39/61/545353961.db2.gz BYONMMYPCFNWEX-WCQYABFASA-N 2 2 269.389 0.306 20 0 CCADLP CC[N@@H+](CC(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1)C1CC1 ZINC000676844069 545353962 /nfs/dbraw/zinc/35/39/62/545353962.db2.gz BYONMMYPCFNWEX-WCQYABFASA-N 2 2 269.389 0.306 20 0 CCADLP CC[NH+](CC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC000676844069 545353963 /nfs/dbraw/zinc/35/39/63/545353963.db2.gz BYONMMYPCFNWEX-WCQYABFASA-N 2 2 269.389 0.306 20 0 CCADLP CC[NH+](CC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC000676844069 545353964 /nfs/dbraw/zinc/35/39/64/545353964.db2.gz BYONMMYPCFNWEX-WCQYABFASA-N 2 2 269.389 0.306 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+]CCC[NH+]2CCC[C@H]2C(N)=O)[C@@H](C)C1 ZINC000347351266 535768441 /nfs/dbraw/zinc/76/84/41/535768441.db2.gz DLPQWMNQCXYDDQ-KKUMJFAQSA-N 3 2 296.459 0.646 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+]CCC[NH+]2CCC[C@H]2C(N)=O)[C@@H](C)C1 ZINC000347351266 535768445 /nfs/dbraw/zinc/76/84/45/535768445.db2.gz DLPQWMNQCXYDDQ-KKUMJFAQSA-N 3 2 296.459 0.646 20 0 CCADLP CC[NH+]1CC[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)[C@@H](C)C1 ZINC000347351266 535768447 /nfs/dbraw/zinc/76/84/47/535768447.db2.gz DLPQWMNQCXYDDQ-KKUMJFAQSA-N 3 2 296.459 0.646 20 0 CCADLP CC[NH+]1CC[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)[C@@H](C)C1 ZINC000347351266 535768449 /nfs/dbraw/zinc/76/84/49/535768449.db2.gz DLPQWMNQCXYDDQ-KKUMJFAQSA-N 3 2 296.459 0.646 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+]CCC[NH+]2CCC[C@@H]2C(N)=O)[C@@H](C)C1 ZINC000347351268 535768549 /nfs/dbraw/zinc/76/85/49/535768549.db2.gz DLPQWMNQCXYDDQ-SOUVJXGZSA-N 3 2 296.459 0.646 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+]CCC[NH+]2CCC[C@@H]2C(N)=O)[C@@H](C)C1 ZINC000347351268 535768551 /nfs/dbraw/zinc/76/85/51/535768551.db2.gz DLPQWMNQCXYDDQ-SOUVJXGZSA-N 3 2 296.459 0.646 20 0 CCADLP CC[NH+]1CC[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)[C@@H](C)C1 ZINC000347351268 535768552 /nfs/dbraw/zinc/76/85/52/535768552.db2.gz DLPQWMNQCXYDDQ-SOUVJXGZSA-N 3 2 296.459 0.646 20 0 CCADLP CC[NH+]1CC[C@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)[C@@H](C)C1 ZINC000347351268 535768553 /nfs/dbraw/zinc/76/85/53/535768553.db2.gz DLPQWMNQCXYDDQ-SOUVJXGZSA-N 3 2 296.459 0.646 20 0 CCADLP CC[N@@H+]1C[C@H](C)N(CC[NH+]2CCOCC2)C[C@@H]1C ZINC000346192616 535779847 /nfs/dbraw/zinc/77/98/47/535779847.db2.gz POSGWXOEVBDIFK-KBPBESRZSA-N 2 2 255.406 0.733 20 0 CCADLP CC[N@H+]1C[C@H](C)N(CC[NH+]2CCOCC2)C[C@@H]1C ZINC000346192616 535779848 /nfs/dbraw/zinc/77/98/48/535779848.db2.gz POSGWXOEVBDIFK-KBPBESRZSA-N 2 2 255.406 0.733 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N2CCC[N@H+](C)CC2)no1 ZINC000359171812 535978506 /nfs/dbraw/zinc/97/85/06/535978506.db2.gz FDRZWZFALRZVMS-UHFFFAOYSA-N 2 2 266.345 0.514 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N2CCC[N@@H+](C)CC2)no1 ZINC000359171812 535978511 /nfs/dbraw/zinc/97/85/11/535978511.db2.gz FDRZWZFALRZVMS-UHFFFAOYSA-N 2 2 266.345 0.514 20 0 CCADLP CCn1cnnc1CC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000678586598 545395209 /nfs/dbraw/zinc/39/52/09/545395209.db2.gz BKGQMLJGDWQIHO-AAEUAGOBSA-N 2 2 263.389 0.913 20 0 CCADLP CCn1cnnc1CC[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000678586598 545395210 /nfs/dbraw/zinc/39/52/10/545395210.db2.gz BKGQMLJGDWQIHO-AAEUAGOBSA-N 2 2 263.389 0.913 20 0 CCADLP CN(CCC[NH3+])C(=O)NCc1cn2ccccc2[nH+]1 ZINC000518565768 536343120 /nfs/dbraw/zinc/34/31/20/536343120.db2.gz LPBGJKZPUPXECS-UHFFFAOYSA-N 2 2 261.329 0.825 20 0 CCADLP CCC[NH+]1CCC([NH2+][C@H](CO)c2cnn(C)c2)CC1 ZINC000678774449 545397184 /nfs/dbraw/zinc/39/71/84/545397184.db2.gz IMQAMDXNJSGXIT-CQSZACIVSA-N 2 2 266.389 0.918 20 0 CCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCCc2cnn(C)c2)C1 ZINC000680117522 545422999 /nfs/dbraw/zinc/42/29/99/545422999.db2.gz AIYNZMUXOCHNRP-CQSZACIVSA-N 2 2 266.389 0.663 20 0 CCADLP COCC[N@H+]1CC[C@@H]([NH2+]CCCc2cnn(C)c2)C1 ZINC000680117522 545423000 /nfs/dbraw/zinc/42/30/00/545423000.db2.gz AIYNZMUXOCHNRP-CQSZACIVSA-N 2 2 266.389 0.663 20 0 CCADLP Cc1csc([C@@H](C)[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)n1 ZINC000680417245 545427893 /nfs/dbraw/zinc/42/78/93/545427893.db2.gz MGPXNHAIQNQVOO-CHWSQXEVSA-N 2 2 298.456 0.710 20 0 CCADLP COCC[N@H+](CCCn1cc[nH+]c1C)CC(=O)OC ZINC000269135515 536840433 /nfs/dbraw/zinc/84/04/33/536840433.db2.gz QTVOOSQTSFHRBP-UHFFFAOYSA-N 2 2 269.345 0.703 20 0 CCADLP COCC[N@@H+](CCCn1cc[nH+]c1C)CC(=O)OC ZINC000269135515 536840438 /nfs/dbraw/zinc/84/04/38/536840438.db2.gz QTVOOSQTSFHRBP-UHFFFAOYSA-N 2 2 269.345 0.703 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC([NH+]2CCOCC2)CC1 ZINC000681639693 545458571 /nfs/dbraw/zinc/45/85/71/545458571.db2.gz CWAKINMFAWOYDX-UHFFFAOYSA-N 2 2 283.416 0.115 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)[C@@H]1C[N@H+](C)CCO1 ZINC000682513766 545481557 /nfs/dbraw/zinc/48/15/57/545481557.db2.gz CCADEUPJRPGBEY-AVGNSLFASA-N 2 2 292.383 0.281 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000682513766 545481558 /nfs/dbraw/zinc/48/15/58/545481558.db2.gz CCADEUPJRPGBEY-AVGNSLFASA-N 2 2 292.383 0.281 20 0 CCADLP CC(C)[C@H]1C[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CS1 ZINC000683108776 545495482 /nfs/dbraw/zinc/49/54/82/545495482.db2.gz GQZKZSPYTRMBMO-QWHCGFSZSA-N 2 2 285.457 0.880 20 0 CCADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)C(N)=O ZINC000683724395 545560668 /nfs/dbraw/zinc/56/06/68/545560668.db2.gz VVQUHCVSGXDPIZ-LLVKDONJSA-N 2 2 262.357 0.509 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@H](OC(F)F)C1)C1CC1 ZINC000685584027 545841597 /nfs/dbraw/zinc/84/15/97/545841597.db2.gz YHARLQSXYRPJOT-MNOVXSKESA-N 2 2 264.316 0.755 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@H](OC(F)F)C1)C1CC1 ZINC000685584027 545841599 /nfs/dbraw/zinc/84/15/99/545841599.db2.gz YHARLQSXYRPJOT-MNOVXSKESA-N 2 2 264.316 0.755 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@H](OC(F)F)C1)C1CC1 ZINC000685584027 545841601 /nfs/dbraw/zinc/84/16/01/545841601.db2.gz YHARLQSXYRPJOT-MNOVXSKESA-N 2 2 264.316 0.755 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@H](OC(F)F)C1)C1CC1 ZINC000685584027 545841606 /nfs/dbraw/zinc/84/16/06/545841606.db2.gz YHARLQSXYRPJOT-MNOVXSKESA-N 2 2 264.316 0.755 20 0 CCADLP O=C(C[NH+]1CCCC1)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC000962560189 649903992 /nfs/dbraw/zinc/90/39/92/649903992.db2.gz ZJGKSAFOQOPCQU-NHAGDIPZSA-N 2 2 290.367 0.317 20 0 CCADLP O=C(C[NH+]1CCCC1)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC000962560189 649903995 /nfs/dbraw/zinc/90/39/95/649903995.db2.gz ZJGKSAFOQOPCQU-NHAGDIPZSA-N 2 2 290.367 0.317 20 0 CCADLP C[C@H](CCO)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000779346085 581182012 /nfs/dbraw/zinc/18/20/12/581182012.db2.gz UFUOZRGSWLTROR-OLZOCXBDSA-N 2 2 271.405 0.290 20 0 CCADLP C[C@H](CCO)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000779346085 581182015 /nfs/dbraw/zinc/18/20/15/581182015.db2.gz UFUOZRGSWLTROR-OLZOCXBDSA-N 2 2 271.405 0.290 20 0 CCADLP C[C@H](CCO)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000779340754 581181655 /nfs/dbraw/zinc/18/16/55/581181655.db2.gz CVHSJLQZHYTIGF-CZUORRHYSA-N 2 2 278.396 0.766 20 0 CCADLP C[C@H](CCO)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000779340754 581181657 /nfs/dbraw/zinc/18/16/57/581181657.db2.gz CVHSJLQZHYTIGF-CZUORRHYSA-N 2 2 278.396 0.766 20 0 CCADLP OC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(F)c1 ZINC000782063975 581286900 /nfs/dbraw/zinc/28/69/00/581286900.db2.gz ZCTKZNXVOCGJBY-LSDHHAIUSA-N 2 2 282.359 0.905 20 0 CCADLP C[N@@H+]1CC[C@]2(CC[NH+](CN3C[C@@]4(CCOC4)CC3=O)C2)C1 ZINC000793763215 581312180 /nfs/dbraw/zinc/31/21/80/581312180.db2.gz DIEOXCVPFJYMBD-JKSUJKDBSA-N 2 2 293.411 0.611 20 0 CCADLP C[N@H+]1CC[C@]2(CC[NH+](CN3C[C@@]4(CCOC4)CC3=O)C2)C1 ZINC000793763215 581312181 /nfs/dbraw/zinc/31/21/81/581312181.db2.gz DIEOXCVPFJYMBD-JKSUJKDBSA-N 2 2 293.411 0.611 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@H+](CN3C[C@@]4(CCOC4)CC3=O)C2)C1 ZINC000793763215 581312185 /nfs/dbraw/zinc/31/21/85/581312185.db2.gz DIEOXCVPFJYMBD-JKSUJKDBSA-N 2 2 293.411 0.611 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@@H+](CN3C[C@@]4(CCOC4)CC3=O)C2)C1 ZINC000793763215 581312189 /nfs/dbraw/zinc/31/21/89/581312189.db2.gz DIEOXCVPFJYMBD-JKSUJKDBSA-N 2 2 293.411 0.611 20 0 CCADLP O=C(CC[NH+]1CCOCC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000727736142 581330783 /nfs/dbraw/zinc/33/07/83/581330783.db2.gz HYDPVTIDFAEWHV-ZDUSSCGKSA-N 2 2 292.383 0.838 20 0 CCADLP C[C@@H]1C[N@H+](CN2C[C@H](c3c[nH+]cn3C)CC2=O)CCCO1 ZINC000783985220 581369940 /nfs/dbraw/zinc/36/99/40/581369940.db2.gz TXXHIXQDQZPMOG-CHWSQXEVSA-N 2 2 292.383 0.804 20 0 CCADLP C[C@@H]1C[N@@H+](CN2C[C@H](c3c[nH+]cn3C)CC2=O)CCCO1 ZINC000783985220 581369942 /nfs/dbraw/zinc/36/99/42/581369942.db2.gz TXXHIXQDQZPMOG-CHWSQXEVSA-N 2 2 292.383 0.804 20 0 CCADLP CC[N@H+](CCOC)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783978010 581370008 /nfs/dbraw/zinc/37/00/08/581370008.db2.gz NPKNHXFFKVQQOY-GFCCVEGCSA-N 2 2 280.372 0.662 20 0 CCADLP CC[N@@H+](CCOC)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000783978010 581370010 /nfs/dbraw/zinc/37/00/10/581370010.db2.gz NPKNHXFFKVQQOY-GFCCVEGCSA-N 2 2 280.372 0.662 20 0 CCADLP COCC[N@H+](C)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783979608 581370114 /nfs/dbraw/zinc/37/01/14/581370114.db2.gz XVNMANWYPFMENU-NSHDSACASA-N 2 2 266.345 0.272 20 0 CCADLP COCC[N@@H+](C)CN1C[C@@H](c2c[nH+]cn2C)CC1=O ZINC000783979608 581370115 /nfs/dbraw/zinc/37/01/15/581370115.db2.gz XVNMANWYPFMENU-NSHDSACASA-N 2 2 266.345 0.272 20 0 CCADLP Cc1c[nH+]ccc1N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000795100248 581398653 /nfs/dbraw/zinc/39/86/53/581398653.db2.gz JPWIHEAHDXOVGS-GOSISDBHSA-N 2 2 267.398 0.891 20 0 CCADLP COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000786441370 581441002 /nfs/dbraw/zinc/44/10/02/581441002.db2.gz OUGAHGKPTGWSEE-YJNKXOJESA-N 2 2 296.411 0.717 20 0 CCADLP COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000786441370 581441006 /nfs/dbraw/zinc/44/10/06/581441006.db2.gz OUGAHGKPTGWSEE-YJNKXOJESA-N 2 2 296.411 0.717 20 0 CCADLP CO[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000787220009 581460716 /nfs/dbraw/zinc/46/07/16/581460716.db2.gz MCUGMTSRXBVAPS-QWHCGFSZSA-N 2 2 278.356 0.725 20 0 CCADLP CO[C@@H]1CC(=O)N(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000787220009 581460717 /nfs/dbraw/zinc/46/07/17/581460717.db2.gz MCUGMTSRXBVAPS-QWHCGFSZSA-N 2 2 278.356 0.725 20 0 CCADLP NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000787335904 581468199 /nfs/dbraw/zinc/46/81/99/581468199.db2.gz ULENUVXAEQLUGB-FQUUOJAGSA-N 2 2 281.400 0.029 20 0 CCADLP NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000787335904 581468200 /nfs/dbraw/zinc/46/82/00/581468200.db2.gz ULENUVXAEQLUGB-FQUUOJAGSA-N 2 2 281.400 0.029 20 0 CCADLP OC[C@@]1([NH2+]C[C@H](O)C[NH+]2CCCC2)CCc2ccccc21 ZINC000766253574 581559745 /nfs/dbraw/zinc/55/97/45/581559745.db2.gz YEOICIHBYFUIBB-RDJZCZTQSA-N 2 2 290.407 0.867 20 0 CCADLP O=C1CCCN1C1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000729545054 581603084 /nfs/dbraw/zinc/60/30/84/581603084.db2.gz QXJFALCRQHNHBC-OAHLLOKOSA-N 2 2 295.427 0.530 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)N2CCC[C@@H]([NH+](C)C)C2)CCO1 ZINC000729607472 581606106 /nfs/dbraw/zinc/60/61/06/581606106.db2.gz XNOOXVNHBYXHIB-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)NCC2CC[NH+](C)CC2)CCO1 ZINC000729605017 581606316 /nfs/dbraw/zinc/60/63/16/581606316.db2.gz GDPQMGPLEWFLTN-CYBMUJFWSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC2CC[NH+](C)CC2)CCO1 ZINC000729605017 581606319 /nfs/dbraw/zinc/60/63/19/581606319.db2.gz GDPQMGPLEWFLTN-CYBMUJFWSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@H]([C@H](C)NC(=S)NCC[NH+](C)C)[NH+]1CCOCC1 ZINC000729646879 581608651 /nfs/dbraw/zinc/60/86/51/581608651.db2.gz DVSYNNQESOFRFD-NWDGAFQWSA-N 2 2 288.461 0.121 20 0 CCADLP C[C@@H]1CC[N@H+](CCS(N)(=O)=O)C[C@H]1n1cc[nH+]c1 ZINC000767436747 581613572 /nfs/dbraw/zinc/61/35/72/581613572.db2.gz YWRWPNMNIWBTDF-GHMZBOCLSA-N 2 2 272.374 0.055 20 0 CCADLP C[C@@H]1CC[N@@H+](CCS(N)(=O)=O)C[C@H]1n1cc[nH+]c1 ZINC000767436747 581613573 /nfs/dbraw/zinc/61/35/73/581613573.db2.gz YWRWPNMNIWBTDF-GHMZBOCLSA-N 2 2 272.374 0.055 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H](O)C(C)(C)C)CC1 ZINC000765133239 581804906 /nfs/dbraw/zinc/80/49/06/581804906.db2.gz PYNYCCYNQNCYBU-ZDUSSCGKSA-N 2 2 285.432 0.536 20 0 CCADLP C[NH+](C)C1(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CCC1 ZINC000771556779 581808433 /nfs/dbraw/zinc/80/84/33/581808433.db2.gz POJAYTCBIGOMDX-ZDUSSCGKSA-N 2 2 281.400 0.404 20 0 CCADLP CC[C@H](O)C[NH+]1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000760872467 581877303 /nfs/dbraw/zinc/87/73/03/581877303.db2.gz MRQFLSUBWYXUMR-QWRGUYRKSA-N 2 2 257.403 0.866 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)CCO1 ZINC000745792698 581885772 /nfs/dbraw/zinc/88/57/72/581885772.db2.gz RFBQFNOXFSVLLN-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)CCO1 ZINC000745792698 581885776 /nfs/dbraw/zinc/88/57/76/581885776.db2.gz RFBQFNOXFSVLLN-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CCO1 ZINC000745792698 581885779 /nfs/dbraw/zinc/88/57/79/581885779.db2.gz RFBQFNOXFSVLLN-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CCO1 ZINC000745792698 581885782 /nfs/dbraw/zinc/88/57/82/581885782.db2.gz RFBQFNOXFSVLLN-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)CCO1 ZINC000745984483 581892379 /nfs/dbraw/zinc/89/23/79/581892379.db2.gz LVSSTRUVJPHUFD-GFCCVEGCSA-N 2 2 292.383 0.836 20 0 CCADLP C[C@H]1C(=O)N([C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(=O)N1C ZINC000761302977 581904279 /nfs/dbraw/zinc/90/42/79/581904279.db2.gz MGALOPRUWHGBIP-AAEUAGOBSA-N 2 2 294.399 0.437 20 0 CCADLP C[C@H]1C(=O)N([C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(=O)N1C ZINC000761302977 581904280 /nfs/dbraw/zinc/90/42/80/581904280.db2.gz MGALOPRUWHGBIP-AAEUAGOBSA-N 2 2 294.399 0.437 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCCn2cc[nH+]c2C(C)C)C1 ZINC000746254379 581904808 /nfs/dbraw/zinc/90/48/08/581904808.db2.gz TWERRRIWXINKLU-CYBMUJFWSA-N 2 2 294.399 0.843 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NCCn2cc[nH+]c2C(C)C)C1 ZINC000746254379 581904809 /nfs/dbraw/zinc/90/48/09/581904809.db2.gz TWERRRIWXINKLU-CYBMUJFWSA-N 2 2 294.399 0.843 20 0 CCADLP CCc1cc(N2CC[NH+](C[C@H](C)O)CC2)nc(C)[nH+]1 ZINC000275015636 581936937 /nfs/dbraw/zinc/93/69/37/581936937.db2.gz KQUQPYFFHRXOKT-NSHDSACASA-N 2 2 264.373 0.850 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)OC)C[C@@H]1C ZINC000774646900 581986387 /nfs/dbraw/zinc/98/63/87/581986387.db2.gz PUMOERGZUTZUIT-RYUDHWBXSA-N 2 2 257.378 0.811 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)OC)C[C@@H]1C ZINC000774646900 581986391 /nfs/dbraw/zinc/98/63/91/581986391.db2.gz PUMOERGZUTZUIT-RYUDHWBXSA-N 2 2 257.378 0.811 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)OC)C[C@@H]1C ZINC000774646900 581986395 /nfs/dbraw/zinc/98/63/95/581986395.db2.gz PUMOERGZUTZUIT-RYUDHWBXSA-N 2 2 257.378 0.811 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)OC)C[C@@H]1C ZINC000774646900 581986398 /nfs/dbraw/zinc/98/63/98/581986398.db2.gz PUMOERGZUTZUIT-RYUDHWBXSA-N 2 2 257.378 0.811 20 0 CCADLP C[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2)nc1)[NH+](C)C ZINC000750192596 582037430 /nfs/dbraw/zinc/03/74/30/582037430.db2.gz PLYJTCUBFHICII-NSHDSACASA-N 2 2 273.340 0.834 20 0 CCADLP CC[C@@H](C(=O)NCCC[NH3+])[N@@H+]1CCO[C@H](CC)C1 ZINC000911648917 615380437 /nfs/dbraw/zinc/38/04/37/615380437.db2.gz XOZWFQFEVQEDAD-NEPJUHHUSA-N 2 2 257.378 0.341 20 0 CCADLP CC[C@@H](C(=O)NCCC[NH3+])[N@H+]1CCO[C@H](CC)C1 ZINC000911648917 615380440 /nfs/dbraw/zinc/38/04/40/615380440.db2.gz XOZWFQFEVQEDAD-NEPJUHHUSA-N 2 2 257.378 0.341 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)o1 ZINC000820308516 599403304 /nfs/dbraw/zinc/40/33/04/599403304.db2.gz WHTXCNMFZDBAFN-VIFPVBQESA-N 2 2 273.300 0.835 20 0 CCADLP C[C@@H]([NH3+])C[N@H+](C)CCC(=O)NC(=O)NCC(F)(F)F ZINC000863568295 617175259 /nfs/dbraw/zinc/17/52/59/617175259.db2.gz IYJYQIBRQYRVKA-SSDOTTSWSA-N 2 2 284.282 0.044 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+](C)CCC(=O)NC(=O)NCC(F)(F)F ZINC000863568295 617175260 /nfs/dbraw/zinc/17/52/60/617175260.db2.gz IYJYQIBRQYRVKA-SSDOTTSWSA-N 2 2 284.282 0.044 20 0 CCADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(-c2nn[nH]n2)o1 ZINC000820243207 599418528 /nfs/dbraw/zinc/41/85/28/599418528.db2.gz YCKGFCWBTJLHJO-VIFPVBQESA-N 2 2 264.333 0.890 20 0 CCADLP Fc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1-c1nn[nH]n1 ZINC000822766937 606964617 /nfs/dbraw/zinc/96/46/17/606964617.db2.gz QAFKRXPLPLZSDK-PHIMTYICSA-N 2 2 288.330 0.657 20 0 CCADLP Fc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1-c1nn[nH]n1 ZINC000822766937 606964618 /nfs/dbraw/zinc/96/46/18/606964618.db2.gz QAFKRXPLPLZSDK-PHIMTYICSA-N 2 2 288.330 0.657 20 0 CCADLP CC(C)(C)[S@](=O)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000863551496 614045614 /nfs/dbraw/zinc/04/56/14/614045614.db2.gz GDZVMHWCIYTEMD-KPZWWZAWSA-N 2 2 276.446 0.580 20 0 CCADLP CC(C)[C@@H](CNC(=[NH2+])NC1CCC1)[NH+]1CCN(C)CC1 ZINC000848984125 614095210 /nfs/dbraw/zinc/09/52/10/614095210.db2.gz QRLGTBJKWDOXSQ-CQSZACIVSA-N 2 2 281.448 0.925 20 0 CCADLP CC(C)[C@@H](C(=O)O[C@H]1C[C@@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC000838904725 614080361 /nfs/dbraw/zinc/08/03/61/614080361.db2.gz QVHWDMLKIAKZOQ-MJBXVCDLSA-N 2 2 284.400 0.979 20 0 CCADLP CC(C)(CNC(=O)C1C[NH+]([C@H]2CCOC2)C1)n1cc[nH+]c1 ZINC000898910588 614093457 /nfs/dbraw/zinc/09/34/57/614093457.db2.gz UGBWFSNKPQIWRX-ZDUSSCGKSA-N 2 2 292.383 0.455 20 0 CCADLP CC(C)[C@H](CNC(=[NH2+])N[C@@H]1C[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000864451795 614208455 /nfs/dbraw/zinc/20/84/55/614208455.db2.gz YNDUVFXBXPRWSW-MJBXVCDLSA-N 2 2 281.448 0.781 20 0 CCADLP CC(C)[C@H](CNC(=[NH2+])NCC1CC1)[NH+]1CCOCC1 ZINC000887347418 614208476 /nfs/dbraw/zinc/20/84/76/614208476.db2.gz UTFJGYRSVLEMSL-ZDUSSCGKSA-N 2 2 268.405 0.867 20 0 CCADLP CC(C)C[C@H](O)C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000817905525 614223653 /nfs/dbraw/zinc/22/36/53/614223653.db2.gz JQCJCXZUXICZLB-MELADBBJSA-N 2 2 256.390 0.750 20 0 CCADLP COc1ccc([C@@H]2CN(C(=O)C[NH+](C)C)CC[NH2+]2)cc1 ZINC000870141512 617280123 /nfs/dbraw/zinc/28/01/23/617280123.db2.gz ZVWCUCPYSMBHMJ-AWEZNQCLSA-N 2 2 277.368 0.730 20 0 CCADLP COc1ccccc1[C@H](O)C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000853133660 617319804 /nfs/dbraw/zinc/31/98/04/617319804.db2.gz MOEIOSGIKJOLEE-DZGCQCFKSA-N 2 2 294.395 0.773 20 0 CCADLP COc1ccccc1[C@H](O)C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000853133660 617319805 /nfs/dbraw/zinc/31/98/05/617319805.db2.gz MOEIOSGIKJOLEE-DZGCQCFKSA-N 2 2 294.395 0.773 20 0 CCADLP C(COC[C@H]1CCOC1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925567587 613222630 /nfs/dbraw/zinc/22/26/30/613222630.db2.gz PTSCGHYLINVLEP-QWHCGFSZSA-N 2 2 254.374 0.914 20 0 CCADLP C(C[NH+]1CCC([N@@H+]2CCCOCC2)CC1)O[C@@H]1CCOC1 ZINC000931284489 613228084 /nfs/dbraw/zinc/22/80/84/613228084.db2.gz USSSGCWARQJJBE-MRXNPFEDSA-N 2 2 298.427 0.979 20 0 CCADLP C(C[NH+]1CCC([N@H+]2CCCOCC2)CC1)O[C@@H]1CCOC1 ZINC000931284489 613228085 /nfs/dbraw/zinc/22/80/85/613228085.db2.gz USSSGCWARQJJBE-MRXNPFEDSA-N 2 2 298.427 0.979 20 0 CCADLP C/C(=C/C(=O)NCCn1cc[nH+]c1C)C[NH+]1CCOCC1 ZINC000900449294 613236509 /nfs/dbraw/zinc/23/65/09/613236509.db2.gz SIVHERXVSWQNPU-QBFSEMIESA-N 2 2 292.383 0.586 20 0 CCADLP C/C(=C\C(=O)NCC(C)(C)C[NH+](C)C)C[NH+]1CCOCC1 ZINC000900009482 613255839 /nfs/dbraw/zinc/25/58/39/613255839.db2.gz IYRIBMXPJHPFLL-GXDHUFHOSA-N 2 2 297.443 0.969 20 0 CCADLP C/C(=C\C(=O)NC[C@@H](C)C[NH+](C)C)C[NH+]1CCOCC1 ZINC000908345606 613256199 /nfs/dbraw/zinc/25/61/99/613256199.db2.gz JCTDLVXJQLLWCD-KADHNRKRSA-N 2 2 283.416 0.579 20 0 CCADLP CC(C)(C)CC[C@H]([NH3+])C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000904373109 613914696 /nfs/dbraw/zinc/91/46/96/613914696.db2.gz LBUUZKPZJVUGDE-LBPRGKRZSA-N 3 2 257.422 0.926 20 0 CCADLP CC(C)(C)CC[C@@H]([NH3+])C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000904328127 613914926 /nfs/dbraw/zinc/91/49/26/613914926.db2.gz AADKQVCBQJBQDO-LLVKDONJSA-N 2 2 296.415 0.814 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000869233152 613926733 /nfs/dbraw/zinc/92/67/33/613926733.db2.gz CKLBXBZNUHPWPG-ISZGNANSSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000869233152 613926735 /nfs/dbraw/zinc/92/67/35/613926735.db2.gz CKLBXBZNUHPWPG-ISZGNANSSA-N 2 2 295.427 0.864 20 0 CCADLP CC(C)(C)NC(=O)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903814741 613947873 /nfs/dbraw/zinc/94/78/73/613947873.db2.gz IKQUTSCFQIJONQ-UHFFFAOYSA-N 2 2 283.416 0.746 20 0 CCADLP CC(C)(C)NC(=O)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903814741 613947875 /nfs/dbraw/zinc/94/78/75/613947875.db2.gz IKQUTSCFQIJONQ-UHFFFAOYSA-N 2 2 283.416 0.746 20 0 CCADLP CC(C)(C)[NH2+]CCC(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000827909707 613953100 /nfs/dbraw/zinc/95/31/00/613953100.db2.gz AJFACUKTORKIIP-GFCCVEGCSA-N 2 2 279.388 0.661 20 0 CCADLP CC(C)[NH2+][C@H](C)[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC000979442211 613977933 /nfs/dbraw/zinc/97/79/33/613977933.db2.gz GEXUZMFPUYFPAD-OCCSQVGLSA-N 2 2 294.399 0.577 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC000819181770 614092603 /nfs/dbraw/zinc/09/26/03/614092603.db2.gz AVNSKTHQUUMTBK-CYBMUJFWSA-N 2 2 276.446 0.989 20 0 CCADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC000819181770 614092604 /nfs/dbraw/zinc/09/26/04/614092604.db2.gz AVNSKTHQUUMTBK-CYBMUJFWSA-N 2 2 276.446 0.989 20 0 CCADLP CC(C)C[C@@H](C[NH3+])NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876533400 614188673 /nfs/dbraw/zinc/18/86/73/614188673.db2.gz ROAVOYOBXRWLPV-OOPCZODUSA-N 2 2 269.389 0.364 20 0 CCADLP CC(C)(O)C[C@H](O)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000872208321 614206776 /nfs/dbraw/zinc/20/67/76/614206776.db2.gz IHOGTYOHVFRRKO-UWVGGRQHSA-N 2 2 253.346 0.379 20 0 CCADLP CC(=O)OC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000894669351 614224100 /nfs/dbraw/zinc/22/41/00/614224100.db2.gz ZIFVJBLBNVTOAU-DGCLKSJQSA-N 2 2 258.362 0.374 20 0 CCADLP CC(=O)OC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000894669351 614224104 /nfs/dbraw/zinc/22/41/04/614224104.db2.gz ZIFVJBLBNVTOAU-DGCLKSJQSA-N 2 2 258.362 0.374 20 0 CCADLP CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000886593698 614225911 /nfs/dbraw/zinc/22/59/11/614225911.db2.gz XGFFGGAFYUUUPE-KBPBESRZSA-N 2 2 283.416 0.506 20 0 CCADLP CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000886593698 614225912 /nfs/dbraw/zinc/22/59/12/614225912.db2.gz XGFFGGAFYUUUPE-KBPBESRZSA-N 2 2 283.416 0.506 20 0 CCADLP CC(C)C[C@H]1C[NH+](C)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000886593698 614225913 /nfs/dbraw/zinc/22/59/13/614225913.db2.gz XGFFGGAFYUUUPE-KBPBESRZSA-N 2 2 283.416 0.506 20 0 CCADLP CC(C)C[C@H]1C[NH+](C)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000886593698 614225914 /nfs/dbraw/zinc/22/59/14/614225914.db2.gz XGFFGGAFYUUUPE-KBPBESRZSA-N 2 2 283.416 0.506 20 0 CCADLP CC(C)[C@H]([NH3+])CCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876977231 614226130 /nfs/dbraw/zinc/22/61/30/614226130.db2.gz SCTZLSOYIASGST-DHCBQETCSA-N 2 2 269.389 0.364 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000816830816 614326468 /nfs/dbraw/zinc/32/64/68/614326468.db2.gz VNRDLVFJXNDHJP-UHFFFAOYSA-N 2 2 250.346 0.941 20 0 CCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000932127566 614350498 /nfs/dbraw/zinc/35/04/98/614350498.db2.gz XBNUXUVOAOIOJH-KBPBESRZSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000932127566 614350500 /nfs/dbraw/zinc/35/05/00/614350500.db2.gz XBNUXUVOAOIOJH-KBPBESRZSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCO)C[C@H]1C ZINC000822160465 614350557 /nfs/dbraw/zinc/35/05/57/614350557.db2.gz SNKUVLJJSMZUEU-KGLIPLIRSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CCO)C[C@H]1C ZINC000822160465 614350559 /nfs/dbraw/zinc/35/05/59/614350559.db2.gz SNKUVLJJSMZUEU-KGLIPLIRSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000822160465 614350560 /nfs/dbraw/zinc/35/05/60/614350560.db2.gz SNKUVLJJSMZUEU-KGLIPLIRSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[NH+]1CCC[C@H]1C(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000822160465 614350562 /nfs/dbraw/zinc/35/05/62/614350562.db2.gz SNKUVLJJSMZUEU-KGLIPLIRSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000868809194 614371845 /nfs/dbraw/zinc/37/18/45/614371845.db2.gz GXJKLNZUBXWJCU-ZYHUDNBSSA-N 2 2 266.345 0.384 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000868809194 614371847 /nfs/dbraw/zinc/37/18/47/614371847.db2.gz GXJKLNZUBXWJCU-ZYHUDNBSSA-N 2 2 266.345 0.384 20 0 CCADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912740187 614503304 /nfs/dbraw/zinc/50/33/04/614503304.db2.gz RGHQQKPPPWIVTG-RYUDHWBXSA-N 2 2 271.405 0.288 20 0 CCADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912740187 614503308 /nfs/dbraw/zinc/50/33/08/614503308.db2.gz RGHQQKPPPWIVTG-RYUDHWBXSA-N 2 2 271.405 0.288 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000866186242 614520577 /nfs/dbraw/zinc/52/05/77/614520577.db2.gz FGKYXMHXGLSXRL-AAEUAGOBSA-N 2 2 280.372 0.633 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000866186242 614520579 /nfs/dbraw/zinc/52/05/79/614520579.db2.gz FGKYXMHXGLSXRL-AAEUAGOBSA-N 2 2 280.372 0.633 20 0 CCADLP CC1(C)CC[N@H+](CCNC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000890072467 614541449 /nfs/dbraw/zinc/54/14/49/614541449.db2.gz UZXPNGDOBJKAIL-ARJAWSKDSA-N 2 2 295.427 0.723 20 0 CCADLP CC1(C)CC[N@@H+](CCNC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000890072467 614541453 /nfs/dbraw/zinc/54/14/53/614541453.db2.gz UZXPNGDOBJKAIL-ARJAWSKDSA-N 2 2 295.427 0.723 20 0 CCADLP CCN(C(=O)/C=C(/C)C[NH+]1CCOCC1)[C@H]1CC[N@H+](C)C1 ZINC000912306980 614559791 /nfs/dbraw/zinc/55/97/91/614559791.db2.gz HKUMWJXMTYARFZ-SZGZABIGSA-N 2 2 295.427 0.818 20 0 CCADLP CCN(C(=O)/C=C(/C)C[NH+]1CCOCC1)[C@H]1CC[N@@H+](C)C1 ZINC000912306980 614559795 /nfs/dbraw/zinc/55/97/95/614559795.db2.gz HKUMWJXMTYARFZ-SZGZABIGSA-N 2 2 295.427 0.818 20 0 CCADLP CCC[N@H+](C[C@H](O)COC[C@H]1CCCO1)[C@@H]1CC[NH2+]C1 ZINC000923288018 614585056 /nfs/dbraw/zinc/58/50/56/614585056.db2.gz WWWOXUNKXYMOTE-QLFBSQMISA-N 2 2 286.416 0.617 20 0 CCADLP CCC[N@@H+](C[C@H](O)COC[C@H]1CCCO1)[C@@H]1CC[NH2+]C1 ZINC000923288018 614585060 /nfs/dbraw/zinc/58/50/60/614585060.db2.gz WWWOXUNKXYMOTE-QLFBSQMISA-N 2 2 286.416 0.617 20 0 CCADLP CC1(C)C[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@H]1[NH3+] ZINC000903787455 614671671 /nfs/dbraw/zinc/67/16/71/614671671.db2.gz WUKQAIISDDKMJW-QWHCGFSZSA-N 3 2 267.417 0.814 20 0 CCADLP CC1(C)C[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@H]1[NH3+] ZINC000903787455 614671675 /nfs/dbraw/zinc/67/16/75/614671675.db2.gz WUKQAIISDDKMJW-QWHCGFSZSA-N 3 2 267.417 0.814 20 0 CCADLP CC1(C)CNC(=O)[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000895323130 614696498 /nfs/dbraw/zinc/69/64/98/614696498.db2.gz ZEYGYGMJDZTOKH-GFCCVEGCSA-N 2 2 251.374 0.727 20 0 CCADLP CC1(C)C[NH2+]CC[C@@H](NC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000872275600 614699604 /nfs/dbraw/zinc/69/96/04/614699604.db2.gz JRRDSXXNJQIUNF-VQTKUKTRSA-N 2 2 295.427 0.769 20 0 CCADLP CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000960652795 614830460 /nfs/dbraw/zinc/83/04/60/614830460.db2.gz YCNZVDWXZKHOGU-RZFFKMDDSA-N 2 2 288.395 0.902 20 0 CCADLP CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000960652795 614830461 /nfs/dbraw/zinc/83/04/61/614830461.db2.gz YCNZVDWXZKHOGU-RZFFKMDDSA-N 2 2 288.395 0.902 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)N(C)OC)CC1 ZINC000846915313 614849753 /nfs/dbraw/zinc/84/97/53/614849753.db2.gz SEVKJKCTBMLXBR-CYBMUJFWSA-N 2 2 287.404 0.031 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)N(C)OC)CC1 ZINC000846915313 614849755 /nfs/dbraw/zinc/84/97/55/614849755.db2.gz SEVKJKCTBMLXBR-CYBMUJFWSA-N 2 2 287.404 0.031 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000846792941 614866002 /nfs/dbraw/zinc/86/60/02/614866002.db2.gz MRVDULDKCMODJI-AWEZNQCLSA-N 2 2 266.389 0.902 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000846792941 614866004 /nfs/dbraw/zinc/86/60/04/614866004.db2.gz MRVDULDKCMODJI-AWEZNQCLSA-N 2 2 266.389 0.902 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000846867731 614866491 /nfs/dbraw/zinc/86/64/91/614866491.db2.gz JPSSZUCRCXSVGA-UONOGXRCSA-N 2 2 296.415 0.468 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000846867731 614866492 /nfs/dbraw/zinc/86/64/92/614866492.db2.gz JPSSZUCRCXSVGA-UONOGXRCSA-N 2 2 296.415 0.468 20 0 CCADLP CC[N@H+](C)C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000960941957 614872146 /nfs/dbraw/zinc/87/21/46/614872146.db2.gz VJAZFQSBTWXYDU-LLVKDONJSA-N 2 2 250.346 0.895 20 0 CCADLP CC[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC000960941957 614872147 /nfs/dbraw/zinc/87/21/47/614872147.db2.gz VJAZFQSBTWXYDU-LLVKDONJSA-N 2 2 250.346 0.895 20 0 CCADLP CC1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)OCCO1 ZINC000848534999 614902684 /nfs/dbraw/zinc/90/26/84/614902684.db2.gz AEBYMQFPBFUEPR-CQSZACIVSA-N 2 2 284.400 0.982 20 0 CCADLP CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000971820677 614909730 /nfs/dbraw/zinc/90/97/30/614909730.db2.gz GQWVCNPUQOSKJT-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000971820677 614909734 /nfs/dbraw/zinc/90/97/34/614909734.db2.gz GQWVCNPUQOSKJT-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP CCCNc1cc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)nc[nH+]1 ZINC000865900193 614921490 /nfs/dbraw/zinc/92/14/90/614921490.db2.gz VVGCTVFOOHBRRU-GFCCVEGCSA-N 2 2 277.372 0.554 20 0 CCADLP CCCNc1cc(N2CC([N@H+]3CC[C@@H](O)C3)C2)nc[nH+]1 ZINC000865900193 614921493 /nfs/dbraw/zinc/92/14/93/614921493.db2.gz VVGCTVFOOHBRRU-GFCCVEGCSA-N 2 2 277.372 0.554 20 0 CCADLP CC1=CC[NH+](CCNC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000907385264 614969957 /nfs/dbraw/zinc/96/99/57/614969957.db2.gz DYJSFKNLQYPFFP-UKRRQHHQSA-N 2 2 281.400 0.210 20 0 CCADLP CC1=CC[NH+](CCNC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000907385264 614969961 /nfs/dbraw/zinc/96/99/61/614969961.db2.gz DYJSFKNLQYPFFP-UKRRQHHQSA-N 2 2 281.400 0.210 20 0 CCADLP CC1=CC[N@H+](CCNC(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)CC1 ZINC000907385264 614969965 /nfs/dbraw/zinc/96/99/65/614969965.db2.gz DYJSFKNLQYPFFP-UKRRQHHQSA-N 2 2 281.400 0.210 20 0 CCADLP CC1=CC[N@@H+](CCNC(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)CC1 ZINC000907385264 614969969 /nfs/dbraw/zinc/96/99/69/614969969.db2.gz DYJSFKNLQYPFFP-UKRRQHHQSA-N 2 2 281.400 0.210 20 0 CCADLP CC1=NO[C@H](CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000875953766 615003848 /nfs/dbraw/zinc/00/38/48/615003848.db2.gz BQZYADAWOZEJEJ-ZDUSSCGKSA-N 2 2 299.419 0.334 20 0 CCADLP CC1=NO[C@H](CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000875953766 615003850 /nfs/dbraw/zinc/00/38/50/615003850.db2.gz BQZYADAWOZEJEJ-ZDUSSCGKSA-N 2 2 299.419 0.334 20 0 CCADLP CC[N@H+](CCO)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000897416367 615052852 /nfs/dbraw/zinc/05/28/52/615052852.db2.gz XZQIMXRWNKHWJV-UHFFFAOYSA-N 2 2 282.388 0.357 20 0 CCADLP CC[N@@H+](CCO)CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000897416367 615052853 /nfs/dbraw/zinc/05/28/53/615052853.db2.gz XZQIMXRWNKHWJV-UHFFFAOYSA-N 2 2 282.388 0.357 20 0 CCADLP CCNC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925589158 615055678 /nfs/dbraw/zinc/05/56/78/615055678.db2.gz VTOXTKIVNVIDHE-VXGBXAGGSA-N 2 2 266.389 0.664 20 0 CCADLP CC[NH2+]CC1CC(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000962008265 615081310 /nfs/dbraw/zinc/08/13/10/615081310.db2.gz GZPHWAYKXKKCOP-OTTFEQOBSA-N 2 2 276.384 0.950 20 0 CCADLP CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000969994847 615089394 /nfs/dbraw/zinc/08/93/94/615089394.db2.gz AOJPXXVJDMUTNN-VXGBXAGGSA-N 2 2 276.384 0.902 20 0 CCADLP CC[NH2+]C[C@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000980823248 615099180 /nfs/dbraw/zinc/09/91/80/615099180.db2.gz UUXGWMIPEPGSEF-VXGBXAGGSA-N 2 2 250.346 0.730 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)S(C)(=O)=O ZINC000848991278 615145142 /nfs/dbraw/zinc/14/51/42/615145142.db2.gz UERATOPYLOOKGB-MNOVXSKESA-N 2 2 290.433 0.018 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)S(C)(=O)=O ZINC000848991278 615145143 /nfs/dbraw/zinc/14/51/43/615145143.db2.gz UERATOPYLOOKGB-MNOVXSKESA-N 2 2 290.433 0.018 20 0 CCADLP CC[NH+]1CCN(CCC[NH2+][C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925548218 615158082 /nfs/dbraw/zinc/15/80/82/615158082.db2.gz ZPIFKGAWJXEBKP-CABCVRRESA-N 3 2 268.449 0.744 20 0 CCADLP CC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000972572436 615176921 /nfs/dbraw/zinc/17/69/21/615176921.db2.gz JVQQBMQAWLIRBI-AWEZNQCLSA-N 2 2 278.356 0.275 20 0 CCADLP CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000972572436 615176922 /nfs/dbraw/zinc/17/69/22/615176922.db2.gz JVQQBMQAWLIRBI-AWEZNQCLSA-N 2 2 278.356 0.275 20 0 CCADLP CCOCCOCC[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000925875583 615282751 /nfs/dbraw/zinc/28/27/51/615282751.db2.gz UZYKWIWFNSLFMV-OLZOCXBDSA-N 2 2 260.378 0.396 20 0 CCADLP CCOC(=O)[C@@H]1C[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903874462 615306494 /nfs/dbraw/zinc/30/64/94/615306494.db2.gz BEDOVBHWFZHHJT-VNHYZAJKSA-N 2 2 298.383 0.019 20 0 CCADLP CCOC(=O)[C@@H]1C[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCO1 ZINC000903874462 615306497 /nfs/dbraw/zinc/30/64/97/615306497.db2.gz BEDOVBHWFZHHJT-VNHYZAJKSA-N 2 2 298.383 0.019 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000883144357 615320185 /nfs/dbraw/zinc/32/01/85/615320185.db2.gz MJOBIDFNBPPFPE-RYUDHWBXSA-N 2 2 265.361 0.665 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000883144357 615320187 /nfs/dbraw/zinc/32/01/87/615320187.db2.gz MJOBIDFNBPPFPE-RYUDHWBXSA-N 2 2 265.361 0.665 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000929656049 615320567 /nfs/dbraw/zinc/32/05/67/615320567.db2.gz BRZOWIYEGYEQML-DZGCQCFKSA-N 2 2 298.427 0.964 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]1C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000929656049 615320570 /nfs/dbraw/zinc/32/05/70/615320570.db2.gz BRZOWIYEGYEQML-DZGCQCFKSA-N 2 2 298.427 0.964 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000863541046 615326940 /nfs/dbraw/zinc/32/69/40/615326940.db2.gz GIHRRYLKPUYJTB-QJPTWQEYSA-N 2 2 267.373 0.154 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000873234021 615327546 /nfs/dbraw/zinc/32/75/46/615327546.db2.gz BFVHMBRJYRUBMC-JHJVBQTASA-N 2 2 283.416 0.648 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@H]1CCCCC[NH2+]1 ZINC000902481395 615327991 /nfs/dbraw/zinc/32/79/91/615327991.db2.gz CIMFEABSILCPMT-JHJVBQTASA-N 2 2 269.389 0.402 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)C1(O)CCC1 ZINC000929811847 615328665 /nfs/dbraw/zinc/32/86/65/615328665.db2.gz DMKKPGSRKVJJJW-HZSPNIEDSA-N 2 2 268.401 0.821 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)C1(O)CCC1 ZINC000929811847 615328668 /nfs/dbraw/zinc/32/86/68/615328668.db2.gz DMKKPGSRKVJJJW-HZSPNIEDSA-N 2 2 268.401 0.821 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)C1(O)CCC1 ZINC000929811847 615328669 /nfs/dbraw/zinc/32/86/69/615328669.db2.gz DMKKPGSRKVJJJW-HZSPNIEDSA-N 2 2 268.401 0.821 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)C1(O)CCC1 ZINC000929811847 615328672 /nfs/dbraw/zinc/32/86/72/615328672.db2.gz DMKKPGSRKVJJJW-HZSPNIEDSA-N 2 2 268.401 0.821 20 0 CCADLP CCN1C[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1=O ZINC000925684084 615367338 /nfs/dbraw/zinc/36/73/38/615367338.db2.gz ZNBCQEJTSHJMNO-NWDGAFQWSA-N 2 2 251.374 0.872 20 0 CCADLP CC[N@H+]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](O)C1 ZINC000958183951 615374592 /nfs/dbraw/zinc/37/45/92/615374592.db2.gz SHEPASWIQLDXKB-BXUZGUMPSA-N 2 2 288.351 0.605 20 0 CCADLP CC[N@@H+]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](O)C1 ZINC000958183951 615374596 /nfs/dbraw/zinc/37/45/96/615374596.db2.gz SHEPASWIQLDXKB-BXUZGUMPSA-N 2 2 288.351 0.605 20 0 CCADLP CC[C@@H](CO)[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000930072576 615487984 /nfs/dbraw/zinc/48/79/84/615487984.db2.gz SIJNBUYPQWYAHV-AAEUAGOBSA-N 2 2 269.389 0.171 20 0 CCADLP CC[C@@H](CO)[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000930072576 615487985 /nfs/dbraw/zinc/48/79/85/615487985.db2.gz SIJNBUYPQWYAHV-AAEUAGOBSA-N 2 2 269.389 0.171 20 0 CCADLP CC[C@H](C(=O)NC[C@H]([NH3+])C(C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000911827712 615565225 /nfs/dbraw/zinc/56/52/25/615565225.db2.gz WMBQOCZGZYLHEK-HZSPNIEDSA-N 2 2 285.432 0.975 20 0 CCADLP CC[C@H](C(=O)NC[C@H]([NH3+])C(C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000911827712 615565226 /nfs/dbraw/zinc/56/52/26/615565226.db2.gz WMBQOCZGZYLHEK-HZSPNIEDSA-N 2 2 285.432 0.975 20 0 CCADLP CCn1cnc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)c1 ZINC000902194885 615624900 /nfs/dbraw/zinc/62/49/00/615624900.db2.gz KJWROOFIOZIONV-UHFFFAOYSA-N 2 2 279.388 0.157 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000925583339 615716237 /nfs/dbraw/zinc/71/62/37/615716237.db2.gz FKJXWAGGVWRRFC-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NCC[N@H+](C)C1CC1 ZINC000918180946 615716667 /nfs/dbraw/zinc/71/66/67/615716667.db2.gz OPBKRAZCDDNCGL-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NCC[N@@H+](C)C1CC1 ZINC000918180946 615716669 /nfs/dbraw/zinc/71/66/69/615716669.db2.gz OPBKRAZCDDNCGL-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(c2nc(N)cc(C)[nH+]2)CC1 ZINC000892712535 615735060 /nfs/dbraw/zinc/73/50/60/615735060.db2.gz OBTWRTBKFIYWRA-LLVKDONJSA-N 2 2 265.361 0.260 20 0 CCADLP CC[C@H]([NH2+]C[C@]1(OC)CCS(=O)(=O)C1)[C@@H]1CCC[NH2+]1 ZINC000925827932 615819478 /nfs/dbraw/zinc/81/94/78/615819478.db2.gz YHVRQDIFFYQINR-RWMBFGLXSA-N 2 2 290.429 0.310 20 0 CCADLP C[NH+](C)C1(CNC(=O)/C=C/C[NH+]2CCOCC2)CCC1 ZINC000867657314 615846160 /nfs/dbraw/zinc/84/61/60/615846160.db2.gz FNIOXNNVVKDKCI-HWKANZROSA-N 2 2 281.400 0.475 20 0 CCADLP C[NH+](C)C1(CNC(=O)NCCCn2cc[nH+]c2)CC1 ZINC000913835969 615848944 /nfs/dbraw/zinc/84/89/44/615848944.db2.gz CKUWWXBLTLCHIU-UHFFFAOYSA-N 2 2 265.361 0.667 20 0 CCADLP C[NH+](C)C1CC[NH+](C[C@@H]2C[C@@H]3COC[C@H]3O2)CC1 ZINC000929265127 615856641 /nfs/dbraw/zinc/85/66/41/615856641.db2.gz YDZOEGKNZMFWKD-KWCYVHTRSA-N 2 2 254.374 0.816 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC000912386760 615878601 /nfs/dbraw/zinc/87/86/01/615878601.db2.gz ITAQIQSKHVHLKW-UHFFFAOYSA-N 3 2 282.432 0.082 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC000912386760 615878603 /nfs/dbraw/zinc/87/86/03/615878603.db2.gz ITAQIQSKHVHLKW-UHFFFAOYSA-N 3 2 282.432 0.082 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](C[C@@H]2C[C@H]3CCC[C@H]3O2)CC1=O ZINC000878802241 615899486 /nfs/dbraw/zinc/89/94/86/615899486.db2.gz CDJNXGZWDPXKRD-QLFBSQMISA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](C[C@@H]2C[C@H]3CCC[C@H]3O2)CC1=O ZINC000878802241 615899489 /nfs/dbraw/zinc/89/94/89/615899489.db2.gz CDJNXGZWDPXKRD-QLFBSQMISA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+](C)CCNC(=S)NCC[N@@H+]1CCOCC1(C)C ZINC000728230659 615903565 /nfs/dbraw/zinc/90/35/65/615903565.db2.gz ZSFSBKGBGWGQMX-UHFFFAOYSA-N 2 2 288.461 0.123 20 0 CCADLP C[NH+](C)CCNC(=S)NCC[N@H+]1CCOCC1(C)C ZINC000728230659 615903566 /nfs/dbraw/zinc/90/35/66/615903566.db2.gz ZSFSBKGBGWGQMX-UHFFFAOYSA-N 2 2 288.461 0.123 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1CC[NH+]1CC ZINC000890055621 615924987 /nfs/dbraw/zinc/92/49/87/615924987.db2.gz CAFMAEIREUVMQH-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1CC[NH+]1CC ZINC000890055621 615924993 /nfs/dbraw/zinc/92/49/93/615924993.db2.gz CAFMAEIREUVMQH-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CC[N@@H+]1CC ZINC000890055621 615924996 /nfs/dbraw/zinc/92/49/96/615924996.db2.gz CAFMAEIREUVMQH-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CC[N@H+]1CC ZINC000890055621 615925000 /nfs/dbraw/zinc/92/50/00/615925000.db2.gz CAFMAEIREUVMQH-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1CCC[NH+]1C ZINC000875151582 615925030 /nfs/dbraw/zinc/92/50/30/615925030.db2.gz KERFXNIIAKFUSL-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1CCC[NH+]1C ZINC000875151582 615925035 /nfs/dbraw/zinc/92/50/35/615925035.db2.gz KERFXNIIAKFUSL-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000875151582 615925038 /nfs/dbraw/zinc/92/50/38/615925038.db2.gz KERFXNIIAKFUSL-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000875151582 615925040 /nfs/dbraw/zinc/92/50/40/615925040.db2.gz KERFXNIIAKFUSL-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@@H]2CC3(CC3)C(=O)O2)C1 ZINC000878865546 615937411 /nfs/dbraw/zinc/93/74/11/615937411.db2.gz JTUNSRYFCZIGQO-WFASDCNBSA-N 2 2 282.384 0.471 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@@H]2CC3(CC3)C(=O)O2)C1 ZINC000878865546 615937413 /nfs/dbraw/zinc/93/74/13/615937413.db2.gz JTUNSRYFCZIGQO-WFASDCNBSA-N 2 2 282.384 0.471 20 0 CCADLP C[NH+](C)C[C@H](N)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000876877258 615942486 /nfs/dbraw/zinc/94/24/86/615942486.db2.gz RFAOFBHLPXTIDS-ZDUSSCGKSA-N 2 2 287.367 0.377 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000867526885 615979143 /nfs/dbraw/zinc/97/91/43/615979143.db2.gz XWUNYCNDWAKSDA-ALCJFRFOSA-N 2 2 281.400 0.474 20 0 CCADLP C[NH+](C)[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1(C)C ZINC000824095144 615995434 /nfs/dbraw/zinc/99/54/34/615995434.db2.gz QAOFQXYMNHQKPI-ZJUUUORDSA-N 2 2 250.346 0.797 20 0 CCADLP CCn1cc(C[NH2+]C[C@](C)(O)C[NH+](C)C)c(C)n1 ZINC000893179298 615998092 /nfs/dbraw/zinc/99/80/92/615998092.db2.gz OKFMUYITSPDZGL-ZDUSSCGKSA-N 2 2 254.378 0.614 20 0 CCADLP C[NH+](C)[C@]1(CNC(=O)Cc2c[nH]c[nH+]2)CCSC1 ZINC000900947383 615998937 /nfs/dbraw/zinc/99/89/37/615998937.db2.gz ZQVYOYPZMUZFPS-LBPRGKRZSA-N 2 2 268.386 0.506 20 0 CCADLP CCc1[nH]c(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1C(=O)OC ZINC000894468883 616024432 /nfs/dbraw/zinc/02/44/32/616024432.db2.gz GUBWHBHNTAWEQP-HNNXBMFYSA-N 2 2 295.383 0.520 20 0 CCADLP CCc1[nH]c(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1C(=O)OC ZINC000894468883 616024433 /nfs/dbraw/zinc/02/44/33/616024433.db2.gz GUBWHBHNTAWEQP-HNNXBMFYSA-N 2 2 295.383 0.520 20 0 CCADLP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886244985 616030792 /nfs/dbraw/zinc/03/07/92/616030792.db2.gz GVTZNEWQKMSLOA-UOJUARBOSA-N 2 2 251.330 0.121 20 0 CCADLP Cn1c(Cl)cnc1C[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000843389005 616068248 /nfs/dbraw/zinc/06/82/48/616068248.db2.gz IYVCIIZWHRBIMQ-UHFFFAOYSA-N 2 2 299.806 0.327 20 0 CCADLP Cn1c(Cl)cnc1C[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000843389005 616068249 /nfs/dbraw/zinc/06/82/49/616068249.db2.gz IYVCIIZWHRBIMQ-UHFFFAOYSA-N 2 2 299.806 0.327 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870908504 616076672 /nfs/dbraw/zinc/07/66/72/616076672.db2.gz NOGCJIKZVCOJFG-DYEKYZERSA-N 2 2 262.357 0.859 20 0 CCADLP C[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@H]1CCOC1 ZINC000903891712 616098373 /nfs/dbraw/zinc/09/83/73/616098373.db2.gz NWOOEHQPDGOGDC-NEPJUHHUSA-N 2 2 265.361 0.423 20 0 CCADLP C[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@H]1CCOC1 ZINC000903891712 616098374 /nfs/dbraw/zinc/09/83/74/616098374.db2.gz NWOOEHQPDGOGDC-NEPJUHHUSA-N 2 2 265.361 0.423 20 0 CCADLP C[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C[C@H]1COCCO1 ZINC000903933230 616098404 /nfs/dbraw/zinc/09/84/04/616098404.db2.gz MOZXMGJTXWLXLY-OCCSQVGLSA-N 2 2 295.387 0.050 20 0 CCADLP C[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)C[C@H]1COCCO1 ZINC000903933230 616098405 /nfs/dbraw/zinc/09/84/05/616098405.db2.gz MOZXMGJTXWLXLY-OCCSQVGLSA-N 2 2 295.387 0.050 20 0 CCADLP C[N@@H+](Cc1nnc2ccccn21)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923324279 616110237 /nfs/dbraw/zinc/11/02/37/616110237.db2.gz RTCASYOFDDCRBJ-LBPRGKRZSA-N 2 2 287.367 0.540 20 0 CCADLP C[N@H+](Cc1nnc2ccccn21)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923324279 616110239 /nfs/dbraw/zinc/11/02/39/616110239.db2.gz RTCASYOFDDCRBJ-LBPRGKRZSA-N 2 2 287.367 0.540 20 0 CCADLP C[N@H+](CCOCC[NH3+])Cc1nc2c(o1)CCCC2 ZINC000872144898 616115647 /nfs/dbraw/zinc/11/56/47/616115647.db2.gz IEVJOROHTIDDOD-UHFFFAOYSA-N 2 2 253.346 0.961 20 0 CCADLP C[N@@H+](CCOCC[NH3+])Cc1nc2c(o1)CCCC2 ZINC000872144898 616115649 /nfs/dbraw/zinc/11/56/49/616115649.db2.gz IEVJOROHTIDDOD-UHFFFAOYSA-N 2 2 253.346 0.961 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc(CCO)cc1)C1CC1 ZINC000905695446 616131877 /nfs/dbraw/zinc/13/18/77/616131877.db2.gz LBBAJGHLTKTQBK-INIZCTEOSA-N 2 2 278.396 0.766 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc(CCO)cc1)C1CC1 ZINC000905695446 616131878 /nfs/dbraw/zinc/13/18/78/616131878.db2.gz LBBAJGHLTKTQBK-INIZCTEOSA-N 2 2 278.396 0.766 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@]12C[C@H]1COC21CCC1)C1CC1 ZINC000933385908 616132089 /nfs/dbraw/zinc/13/20/89/616132089.db2.gz LASMEGBIJQTJRV-CORIIIEPSA-N 2 2 266.385 0.743 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@]12C[C@H]1COC21CCC1)C1CC1 ZINC000933385908 616132090 /nfs/dbraw/zinc/13/20/90/616132090.db2.gz LASMEGBIJQTJRV-CORIIIEPSA-N 2 2 266.385 0.743 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]C(C)(C)C(=O)N1CCCC1)C1CC1 ZINC000809997523 616149410 /nfs/dbraw/zinc/14/94/10/616149410.db2.gz BYSUINGHUAZLTA-CYBMUJFWSA-N 2 2 283.416 0.432 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C(=O)N1CCCC1)C1CC1 ZINC000809997523 616149411 /nfs/dbraw/zinc/14/94/11/616149411.db2.gz BYSUINGHUAZLTA-CYBMUJFWSA-N 2 2 283.416 0.432 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1C[C@@H](O)CC(C)(C)C1)C1CC1 ZINC000879624707 616149635 /nfs/dbraw/zinc/14/96/35/616149635.db2.gz ZNXFGSVJXWHRBQ-STQMWFEESA-N 2 2 256.390 0.534 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1C[C@@H](O)CC(C)(C)C1)C1CC1 ZINC000879624707 616149637 /nfs/dbraw/zinc/14/96/37/616149637.db2.gz ZNXFGSVJXWHRBQ-STQMWFEESA-N 2 2 256.390 0.534 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1C[C@@H](O)CC(C)(C)C1)C1CC1 ZINC000879624707 616149638 /nfs/dbraw/zinc/14/96/38/616149638.db2.gz ZNXFGSVJXWHRBQ-STQMWFEESA-N 2 2 256.390 0.534 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1C[C@@H](O)CC(C)(C)C1)C1CC1 ZINC000879624707 616149639 /nfs/dbraw/zinc/14/96/39/616149639.db2.gz ZNXFGSVJXWHRBQ-STQMWFEESA-N 2 2 256.390 0.534 20 0 CCADLP C[N@H+](C[C@H]1CCOC1)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980539686 616161321 /nfs/dbraw/zinc/16/13/21/616161321.db2.gz UGTXTWGSEFDRGH-ZIAGYGMSSA-N 2 2 292.383 0.452 20 0 CCADLP C[N@@H+](C[C@H]1CCOC1)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980539686 616161322 /nfs/dbraw/zinc/16/13/22/616161322.db2.gz UGTXTWGSEFDRGH-ZIAGYGMSSA-N 2 2 292.383 0.452 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C[C@H]([NH3+])C3CC3)C2)CC1 ZINC000829482950 616172557 /nfs/dbraw/zinc/17/25/57/616172557.db2.gz BQPMOORFTGCMNG-HIFRSBDPSA-N 3 2 294.443 0.399 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C[C@H]([NH3+])C3CC3)C2)CC1 ZINC000829482950 616172558 /nfs/dbraw/zinc/17/25/58/616172558.db2.gz BQPMOORFTGCMNG-HIFRSBDPSA-N 3 2 294.443 0.399 20 0 CCADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCOC[C@H]2C2CCC2)CC1 ZINC000878762906 616173211 /nfs/dbraw/zinc/17/32/11/616173211.db2.gz NMENFDBYLGTQRV-HNNXBMFYSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC(NC(=O)C[N@H+]2CCOC[C@H]2C2CCC2)CC1 ZINC000878762906 616173212 /nfs/dbraw/zinc/17/32/12/616173212.db2.gz NMENFDBYLGTQRV-HNNXBMFYSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC(OCC(=O)OCCn2cc[nH+]c2)CC1 ZINC000923788874 616175816 /nfs/dbraw/zinc/17/58/16/616175816.db2.gz HJOQQDKDLHSJJK-UHFFFAOYSA-N 2 2 267.329 0.537 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCF)CC1(C)C ZINC000972857352 616194415 /nfs/dbraw/zinc/19/44/15/616194415.db2.gz GIPTYKHCYUOQCS-VXGBXAGGSA-N 2 2 271.380 0.877 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCF)CC1(C)C ZINC000972857352 616194416 /nfs/dbraw/zinc/19/44/16/616194416.db2.gz GIPTYKHCYUOQCS-VXGBXAGGSA-N 2 2 271.380 0.877 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CCF)CC1(C)C ZINC000972857352 616194417 /nfs/dbraw/zinc/19/44/17/616194417.db2.gz GIPTYKHCYUOQCS-VXGBXAGGSA-N 2 2 271.380 0.877 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCF)CC1(C)C ZINC000972857352 616194418 /nfs/dbraw/zinc/19/44/18/616194418.db2.gz GIPTYKHCYUOQCS-VXGBXAGGSA-N 2 2 271.380 0.877 20 0 CCADLP C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](O)c3c[nH+]c[nH]3)C2)C1 ZINC000868571663 616202836 /nfs/dbraw/zinc/20/28/36/616202836.db2.gz LKBGWCYOJYCRSV-TZMCWYRMSA-N 2 2 278.356 0.387 20 0 CCADLP C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](O)c3c[nH+]c[nH]3)C2)C1 ZINC000868571663 616202837 /nfs/dbraw/zinc/20/28/37/616202837.db2.gz LKBGWCYOJYCRSV-TZMCWYRMSA-N 2 2 278.356 0.387 20 0 CCADLP CN1CC[NH+](CC2CC[NH+](Cc3cnc[nH]3)CC2)CC1 ZINC000894764664 616240207 /nfs/dbraw/zinc/24/02/07/616240207.db2.gz CJTBNSGUAPXCPN-UHFFFAOYSA-N 2 2 277.416 0.869 20 0 CCADLP CN1CC[NH+](CC2CC[NH+](Cc3c[nH]cn3)CC2)CC1 ZINC000894764664 616240208 /nfs/dbraw/zinc/24/02/08/616240208.db2.gz CJTBNSGUAPXCPN-UHFFFAOYSA-N 2 2 277.416 0.869 20 0 CCADLP CN(C)c1cc[nH+]c(CNC(=O)[C@H]2C[N@H+](C)CCO2)c1 ZINC000927700226 616252647 /nfs/dbraw/zinc/25/26/47/616252647.db2.gz HGJAZOOGZSHVEW-CYBMUJFWSA-N 2 2 278.356 0.094 20 0 CCADLP CN(C)c1cc[nH+]c(CNC(=O)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000927700226 616252648 /nfs/dbraw/zinc/25/26/48/616252648.db2.gz HGJAZOOGZSHVEW-CYBMUJFWSA-N 2 2 278.356 0.094 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC[C@@H]21 ZINC000827255983 616324022 /nfs/dbraw/zinc/32/40/22/616324022.db2.gz VGOJDCXHNHGCPK-NFAWXSAZSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)CC[C@@H]21 ZINC000827255983 616324028 /nfs/dbraw/zinc/32/40/28/616324028.db2.gz VGOJDCXHNHGCPK-NFAWXSAZSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CN2C[C@@H]3C[C@@H]3C2=O)C1 ZINC000902193560 616344096 /nfs/dbraw/zinc/34/40/96/616344096.db2.gz BVURVAPANXTXEI-XDQVBPFNSA-N 2 2 263.385 0.838 20 0 CCADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CN2C[C@@H]3C[C@@H]3C2=O)C1 ZINC000902193560 616344102 /nfs/dbraw/zinc/34/41/02/616344102.db2.gz BVURVAPANXTXEI-XDQVBPFNSA-N 2 2 263.385 0.838 20 0 CCADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2CN2C[C@@H]3C[C@@H]3C2=O)C1 ZINC000902193560 616344104 /nfs/dbraw/zinc/34/41/04/616344104.db2.gz BVURVAPANXTXEI-XDQVBPFNSA-N 2 2 263.385 0.838 20 0 CCADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2CN2C[C@@H]3C[C@@H]3C2=O)C1 ZINC000902193560 616344109 /nfs/dbraw/zinc/34/41/09/616344109.db2.gz BVURVAPANXTXEI-XDQVBPFNSA-N 2 2 263.385 0.838 20 0 CCADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000866777138 616344387 /nfs/dbraw/zinc/34/43/87/616344387.db2.gz PKYCHEUFCXQXSP-RAIGVLPGSA-N 2 2 278.356 0.386 20 0 CCADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000866777138 616344388 /nfs/dbraw/zinc/34/43/88/616344388.db2.gz PKYCHEUFCXQXSP-RAIGVLPGSA-N 2 2 278.356 0.386 20 0 CCADLP Cn1nc2c(c1C[NH2+]C[C@]1(O)CC[N@H+](C)C1)CCC2 ZINC000921998180 616351028 /nfs/dbraw/zinc/35/10/28/616351028.db2.gz GCQFMCCCKWJCTJ-CQSZACIVSA-N 2 2 264.373 0.065 20 0 CCADLP Cn1nc2c(c1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1)CCC2 ZINC000921998180 616351035 /nfs/dbraw/zinc/35/10/35/616351035.db2.gz GCQFMCCCKWJCTJ-CQSZACIVSA-N 2 2 264.373 0.065 20 0 CCADLP COCC[NH+]1CCN(C(=O)C(C)(C)[C@@H]([NH3+])C(C)C)CC1 ZINC000884182742 616357799 /nfs/dbraw/zinc/35/77/99/616357799.db2.gz RRTXDZYOOPQNTQ-ZDUSSCGKSA-N 2 2 285.432 0.787 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000949042547 616365396 /nfs/dbraw/zinc/36/53/96/616365396.db2.gz MCGMXKGIFQOXMU-OAHLLOKOSA-N 2 2 297.443 0.897 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000949042547 616365401 /nfs/dbraw/zinc/36/54/01/616365401.db2.gz MCGMXKGIFQOXMU-OAHLLOKOSA-N 2 2 297.443 0.897 20 0 CCADLP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000635973235 616387504 /nfs/dbraw/zinc/38/75/04/616387504.db2.gz LJESGAVKKBKHKC-MCIONIFRSA-N 2 2 281.400 0.260 20 0 CCADLP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000635973235 616387508 /nfs/dbraw/zinc/38/75/08/616387508.db2.gz LJESGAVKKBKHKC-MCIONIFRSA-N 2 2 281.400 0.260 20 0 CCADLP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000635973235 616387512 /nfs/dbraw/zinc/38/75/12/616387512.db2.gz LJESGAVKKBKHKC-MCIONIFRSA-N 2 2 281.400 0.260 20 0 CCADLP CN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000635973235 616387516 /nfs/dbraw/zinc/38/75/16/616387516.db2.gz LJESGAVKKBKHKC-MCIONIFRSA-N 2 2 281.400 0.260 20 0 CCADLP COC/C=C/C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000865727704 616391288 /nfs/dbraw/zinc/39/12/88/616391288.db2.gz FUIFHZPVXWZVDK-MBVDDHJVSA-N 2 2 295.427 0.816 20 0 CCADLP COC/C=C/C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000865727704 616391292 /nfs/dbraw/zinc/39/12/92/616391292.db2.gz FUIFHZPVXWZVDK-MBVDDHJVSA-N 2 2 295.427 0.816 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC000941062198 616392804 /nfs/dbraw/zinc/39/28/04/616392804.db2.gz XQBITXYHBQIYED-CYBMUJFWSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC000941062198 616392808 /nfs/dbraw/zinc/39/28/08/616392808.db2.gz XQBITXYHBQIYED-CYBMUJFWSA-N 2 2 294.399 0.815 20 0 CCADLP C[NH+]1C[C@@]2(C)C[NH+](CCN3C(=O)CCC3=O)C[C@]2(C)C1 ZINC000931309974 616395152 /nfs/dbraw/zinc/39/51/52/616395152.db2.gz WKQKXBSWJQTETC-GJZGRUSLSA-N 2 2 279.384 0.409 20 0 CCADLP COC(=O)C1=CC[C@H]([NH2+][C@H](C)C[C@H]2COCC[NH2+]2)C1 ZINC000863542626 616432666 /nfs/dbraw/zinc/43/26/66/616432666.db2.gz RBMKFYXVZQQFOI-WXHSDQCUSA-N 2 2 268.357 0.605 20 0 CCADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+]([C@H]1CCC(=O)NC1=O)C2 ZINC000852106465 616457438 /nfs/dbraw/zinc/45/74/38/616457438.db2.gz YTJODUNFRXFRGN-SMDDNHRTSA-N 2 2 265.357 0.209 20 0 CCADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+]([C@H]1CCC(=O)NC1=O)C2 ZINC000852106465 616457442 /nfs/dbraw/zinc/45/74/42/616457442.db2.gz YTJODUNFRXFRGN-SMDDNHRTSA-N 2 2 265.357 0.209 20 0 CCADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC000852106465 616457445 /nfs/dbraw/zinc/45/74/45/616457445.db2.gz YTJODUNFRXFRGN-SMDDNHRTSA-N 2 2 265.357 0.209 20 0 CCADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+]([C@H]1CCC(=O)NC1=O)C2 ZINC000852106465 616457449 /nfs/dbraw/zinc/45/74/49/616457449.db2.gz YTJODUNFRXFRGN-SMDDNHRTSA-N 2 2 265.357 0.209 20 0 CCADLP COC1(OC)CC[N@H+](CCCn2cc[nH+]c2)C[C@H]1O ZINC000931634494 616468110 /nfs/dbraw/zinc/46/81/10/616468110.db2.gz PCOMORXPKGLHIK-GFCCVEGCSA-N 2 2 269.345 0.329 20 0 CCADLP COC1(OC)CC[N@@H+](CCCn2cc[nH+]c2)C[C@H]1O ZINC000931634494 616468112 /nfs/dbraw/zinc/46/81/12/616468112.db2.gz PCOMORXPKGLHIK-GFCCVEGCSA-N 2 2 269.345 0.329 20 0 CCADLP COCC[N@H+]1[C@H](C)CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000844024941 616476537 /nfs/dbraw/zinc/47/65/37/616476537.db2.gz RRDJSFGSKAAKAE-BETUJISGSA-N 2 2 294.399 0.530 20 0 CCADLP COCC[N@@H+]1[C@H](C)CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000844024941 616476540 /nfs/dbraw/zinc/47/65/40/616476540.db2.gz RRDJSFGSKAAKAE-BETUJISGSA-N 2 2 294.399 0.530 20 0 CCADLP COCC[N@H+]1[C@H](C)CN(c2nc(N)cc(C)[nH+]2)C[C@@H]1C ZINC000894350941 616481300 /nfs/dbraw/zinc/48/13/00/616481300.db2.gz VHHJHUVJZQFCSS-TXEJJXNPSA-N 2 2 279.388 0.913 20 0 CCADLP COCC[N@@H+]1[C@H](C)CN(c2nc(N)cc(C)[nH+]2)C[C@@H]1C ZINC000894350941 616481303 /nfs/dbraw/zinc/48/13/03/616481303.db2.gz VHHJHUVJZQFCSS-TXEJJXNPSA-N 2 2 279.388 0.913 20 0 CCADLP COCCNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000848983818 616483426 /nfs/dbraw/zinc/48/34/26/616483426.db2.gz KIJCVYKUEBODRA-GFCCVEGCSA-N 2 2 272.393 0.104 20 0 CCADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000867998980 616518883 /nfs/dbraw/zinc/51/88/83/616518883.db2.gz NYDBTNXWQLRJPS-UKRRQHHQSA-N 2 2 289.379 0.668 20 0 CCADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000867998980 616518884 /nfs/dbraw/zinc/51/88/84/616518884.db2.gz NYDBTNXWQLRJPS-UKRRQHHQSA-N 2 2 289.379 0.668 20 0 CCADLP COC1CC[NH+](Cc2cn(CC[NH+](C)C)nn2)CC1 ZINC000864624414 616524022 /nfs/dbraw/zinc/52/40/22/616524022.db2.gz YARFEOGVTSQQGI-UHFFFAOYSA-N 2 2 267.377 0.451 20 0 CCADLP COC(=O)[C@@](C)(Cn1cccn1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000903864177 616535851 /nfs/dbraw/zinc/53/58/51/616535851.db2.gz STUWDYKZNXOEQM-UKRRQHHQSA-N 2 2 294.399 0.794 20 0 CCADLP COCCOCCOCCC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000852750988 616550199 /nfs/dbraw/zinc/55/01/99/616550199.db2.gz LSXQSQQQPMDLHO-HNNXBMFYSA-N 2 2 286.416 0.884 20 0 CCADLP COCCOCCOCCC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000852750988 616550202 /nfs/dbraw/zinc/55/02/02/616550202.db2.gz LSXQSQQQPMDLHO-HNNXBMFYSA-N 2 2 286.416 0.884 20 0 CCADLP COC(=O)CC[N@H+](C[C@H]1C[NH2+]CCO1)C1CCOCC1 ZINC000852750250 616552213 /nfs/dbraw/zinc/55/22/13/616552213.db2.gz PNHNQBKJJILGKP-CYBMUJFWSA-N 2 2 286.372 0.019 20 0 CCADLP COC(=O)CC[N@@H+](C[C@H]1C[NH2+]CCO1)C1CCOCC1 ZINC000852750250 616552215 /nfs/dbraw/zinc/55/22/15/616552215.db2.gz PNHNQBKJJILGKP-CYBMUJFWSA-N 2 2 286.372 0.019 20 0 CCADLP COCCS(=O)(=O)CCC[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000843353125 616604056 /nfs/dbraw/zinc/60/40/56/616604056.db2.gz CKHJKFHEBFPPKQ-CHWSQXEVSA-N 2 2 292.445 0.497 20 0 CCADLP COCCS(=O)(=O)CCC[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000843353125 616604058 /nfs/dbraw/zinc/60/40/58/616604058.db2.gz CKHJKFHEBFPPKQ-CHWSQXEVSA-N 2 2 292.445 0.497 20 0 CCADLP COCC[C@H](C)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883370492 616661719 /nfs/dbraw/zinc/66/17/19/616661719.db2.gz MOXCMTUDZFVDHV-HOTGVXAUSA-N 2 2 299.459 0.798 20 0 CCADLP COCC[C@H]([NH3+])C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000884470641 616677625 /nfs/dbraw/zinc/67/76/25/616677625.db2.gz VSJWIJHALOIVBM-KBPBESRZSA-N 2 2 277.368 0.653 20 0 CCADLP COCC[C@H]([NH3+])C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000884470641 616677628 /nfs/dbraw/zinc/67/76/28/616677628.db2.gz VSJWIJHALOIVBM-KBPBESRZSA-N 2 2 277.368 0.653 20 0 CCADLP COC[C@H]([NH2+]CCn1cc[nH+]c1)[C@H]1CCCOC1 ZINC000883165979 616720967 /nfs/dbraw/zinc/72/09/67/616720967.db2.gz QAUKANGTIQDPHQ-STQMWFEESA-N 2 2 253.346 0.914 20 0 CCADLP COCC(COC)[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000930616289 616724669 /nfs/dbraw/zinc/72/46/69/616724669.db2.gz YUJDPDMBSIAIGM-UHFFFAOYSA-N 2 2 274.405 0.473 20 0 CCADLP COC[C@H]([NH2+][C@H](C)C[C@H]1COCC[NH2+]1)[C@@H]1CCCOC1 ZINC000925778259 616727170 /nfs/dbraw/zinc/72/71/70/616727170.db2.gz JMISPGOIVAOSNG-KBXIAJHMSA-N 2 2 286.416 0.785 20 0 CCADLP COC(=O)[C@]1(C)CC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903898174 616762465 /nfs/dbraw/zinc/76/24/65/616762465.db2.gz LINNCHPXCYYGGK-LDYMZIIASA-N 2 2 250.289 0.854 20 0 CCADLP COC(=O)[C@]1(C)CC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903898174 616762470 /nfs/dbraw/zinc/76/24/70/616762470.db2.gz LINNCHPXCYYGGK-LDYMZIIASA-N 2 2 250.289 0.854 20 0 CCADLP CO[C@@H]1COCC[C@@H]1[N@H+](C)CCc1c[nH+]cn1C ZINC000880436933 616798842 /nfs/dbraw/zinc/79/88/42/616798842.db2.gz DBNJAHSZMXSGEE-QWHCGFSZSA-N 2 2 253.346 0.698 20 0 CCADLP CO[C@@H]1COCC[C@@H]1[N@@H+](C)CCc1c[nH+]cn1C ZINC000880436933 616798846 /nfs/dbraw/zinc/79/88/46/616798846.db2.gz DBNJAHSZMXSGEE-QWHCGFSZSA-N 2 2 253.346 0.698 20 0 CCADLP COCC[N@H+](C)CCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925545103 616954224 /nfs/dbraw/zinc/95/42/24/616954224.db2.gz XEZQRUMQEZAEAK-QWHCGFSZSA-N 3 2 255.406 0.814 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925545103 616954225 /nfs/dbraw/zinc/95/42/25/616954225.db2.gz XEZQRUMQEZAEAK-QWHCGFSZSA-N 3 2 255.406 0.814 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)C1(COC)CCC1 ZINC000880185122 616965895 /nfs/dbraw/zinc/96/58/95/616965895.db2.gz FUOABHIZXFDMGR-ZDUSSCGKSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)C1(COC)CCC1 ZINC000880185122 616965901 /nfs/dbraw/zinc/96/59/01/616965901.db2.gz FUOABHIZXFDMGR-ZDUSSCGKSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)C1(COC)CCC1 ZINC000880185122 616965907 /nfs/dbraw/zinc/96/59/07/616965907.db2.gz FUOABHIZXFDMGR-ZDUSSCGKSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)C1(COC)CCC1 ZINC000880185122 616965911 /nfs/dbraw/zinc/96/59/11/616965911.db2.gz FUOABHIZXFDMGR-ZDUSSCGKSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879564036 616967584 /nfs/dbraw/zinc/96/75/84/616967584.db2.gz GGHSPQVDAYSCHY-IHRRRGAJSA-N 2 2 288.457 0.610 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879564036 616967587 /nfs/dbraw/zinc/96/75/87/616967587.db2.gz GGHSPQVDAYSCHY-IHRRRGAJSA-N 2 2 288.457 0.610 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879564036 616967589 /nfs/dbraw/zinc/96/75/89/616967589.db2.gz GGHSPQVDAYSCHY-IHRRRGAJSA-N 2 2 288.457 0.610 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879564036 616967590 /nfs/dbraw/zinc/96/75/90/616967590.db2.gz GGHSPQVDAYSCHY-IHRRRGAJSA-N 2 2 288.457 0.610 20 0 CCADLP COC(=O)c1cnc(NCC[NH+]2CCC([NH3+])CC2)nc1 ZINC000905706866 616981198 /nfs/dbraw/zinc/98/11/98/616981198.db2.gz QMIFGATXJMFMAS-UHFFFAOYSA-N 2 2 279.344 0.098 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000923359712 616987866 /nfs/dbraw/zinc/98/78/66/616987866.db2.gz CSQVCYVFAXDAOP-OAHLLOKOSA-N 2 2 279.384 0.485 20 0 CCADLP CON(C)C(=O)CC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000852007762 617004222 /nfs/dbraw/zinc/00/42/22/617004222.db2.gz AQXQCNKVPXZLNY-CQSZACIVSA-N 2 2 299.415 0.583 20 0 CCADLP CON(C)C(=O)CC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000852007762 617004231 /nfs/dbraw/zinc/00/42/31/617004231.db2.gz AQXQCNKVPXZLNY-CQSZACIVSA-N 2 2 299.415 0.583 20 0 CCADLP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000923314659 617026824 /nfs/dbraw/zinc/02/68/24/617026824.db2.gz KYJVRFLJJBVJSX-GFCCVEGCSA-N 2 2 275.418 0.142 20 0 CCADLP CNS(=O)(=O)C[C@H]1CCC[N@H+]1CCC[NH2+]C1CC1 ZINC000923314659 617026826 /nfs/dbraw/zinc/02/68/26/617026826.db2.gz KYJVRFLJJBVJSX-GFCCVEGCSA-N 2 2 275.418 0.142 20 0 CCADLP C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000911737317 617046803 /nfs/dbraw/zinc/04/68/03/617046803.db2.gz VACCBTKEYZGHIO-WDEREUQCSA-N 2 2 250.346 0.799 20 0 CCADLP C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000911737317 617046806 /nfs/dbraw/zinc/04/68/06/617046806.db2.gz VACCBTKEYZGHIO-WDEREUQCSA-N 2 2 250.346 0.799 20 0 CCADLP CO[C@]1(C[NH+]2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCOC1 ZINC000877671266 617134017 /nfs/dbraw/zinc/13/40/17/617134017.db2.gz VPAGZYJYPBRJQL-OAGGEKHMSA-N 3 2 299.459 0.463 20 0 CCADLP CO[C@@H](C)CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855416303 617147079 /nfs/dbraw/zinc/14/70/79/617147079.db2.gz JTBNSZULIJKTEF-LBPRGKRZSA-N 2 2 259.394 0.411 20 0 CCADLP CO[C@@H](C)CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855416303 617147081 /nfs/dbraw/zinc/14/70/81/617147081.db2.gz JTBNSZULIJKTEF-LBPRGKRZSA-N 2 2 259.394 0.411 20 0 CCADLP C[C@@H](O)C[NH2+]C1CCC(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001026592498 625477098 /nfs/dbraw/zinc/47/70/98/625477098.db2.gz CSMWGVAQJIIEIA-PNESKVBLSA-N 2 2 294.399 0.360 20 0 CCADLP O[C@@H]1CC[N@H+](CCCC[NH+]2CC[C@H](O)[C@@H](F)C2)C[C@@H]1F ZINC000934570500 622759245 /nfs/dbraw/zinc/75/92/45/622759245.db2.gz LDJSMYIQEDRKRA-XDQVBPFNSA-N 2 2 292.370 0.576 20 0 CCADLP CC[NH2+]C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001026981699 625680313 /nfs/dbraw/zinc/68/03/13/625680313.db2.gz WOEKTJHGHXFDGA-GFCCVEGCSA-N 2 2 250.346 0.731 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC001020819328 624606721 /nfs/dbraw/zinc/60/67/21/624606721.db2.gz UJCBZAMWKFCDKP-AVGNSLFASA-N 2 2 292.383 0.616 20 0 CCADLP CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001021080848 624658582 /nfs/dbraw/zinc/65/85/82/624658582.db2.gz QHKYJHCCHIKBRV-MGPQQGTHSA-N 2 2 281.400 0.354 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]Cc2ccccn2)C1 ZINC001021127055 624663132 /nfs/dbraw/zinc/66/31/32/624663132.db2.gz DPQNXXSXMQUIME-HDJSIYSDSA-N 2 2 285.351 0.715 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+]Cc2ccns2)C1 ZINC000970856260 624771300 /nfs/dbraw/zinc/77/13/00/624771300.db2.gz IFEDMARJYNWJKS-LLVKDONJSA-N 2 2 291.380 0.730 20 0 CCADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)NCc2ccc(F)cc2)C1 ZINC000050247223 624804066 /nfs/dbraw/zinc/80/40/66/624804066.db2.gz CSDMYYFKPCPYSK-GFCCVEGCSA-N 2 2 265.332 0.723 20 0 CCADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(F)cc2)C1 ZINC000050247223 624804067 /nfs/dbraw/zinc/80/40/67/624804067.db2.gz CSDMYYFKPCPYSK-GFCCVEGCSA-N 2 2 265.332 0.723 20 0 CCADLP COc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000050248751 624804283 /nfs/dbraw/zinc/80/42/83/624804283.db2.gz XPNVDVBDHPJBLU-ZDUSSCGKSA-N 2 2 277.368 0.592 20 0 CCADLP COc1cccc(CNC(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000050248751 624804286 /nfs/dbraw/zinc/80/42/86/624804286.db2.gz XPNVDVBDHPJBLU-ZDUSSCGKSA-N 2 2 277.368 0.592 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000891349185 624821883 /nfs/dbraw/zinc/82/18/83/624821883.db2.gz HVLHRGAMICRYJL-DNOWBOINSA-N 2 2 296.415 0.372 20 0 CCADLP C[C@H]1CN(C)C(=O)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000846868225 624828014 /nfs/dbraw/zinc/82/80/14/624828014.db2.gz QVXLTYPGNFLENB-NSHDSACASA-N 2 2 250.346 0.515 20 0 CCADLP C[C@H]1CN(C)C(=O)C[N@H+]1CCCc1c[nH+]cn1C ZINC000846868225 624828015 /nfs/dbraw/zinc/82/80/15/624828015.db2.gz QVXLTYPGNFLENB-NSHDSACASA-N 2 2 250.346 0.515 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000091666956 624838605 /nfs/dbraw/zinc/83/86/05/624838605.db2.gz OPHGTFAVIXEZIE-NSHDSACASA-N 2 2 257.378 0.198 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000091666956 624838606 /nfs/dbraw/zinc/83/86/06/624838606.db2.gz OPHGTFAVIXEZIE-NSHDSACASA-N 2 2 257.378 0.198 20 0 CCADLP C[C@H]([C@H](C)NC(=O)NCCC(C)(C)[NH3+])[NH+]1CCOCC1 ZINC000891519257 624881287 /nfs/dbraw/zinc/88/12/87/624881287.db2.gz ZLSGYJBFJJDENT-NWDGAFQWSA-N 2 2 286.420 0.522 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000891682533 624902944 /nfs/dbraw/zinc/90/29/44/624902944.db2.gz WXKIBBCQBCDCHS-PWSUYJOCSA-N 2 2 273.340 0.965 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000891707561 624910595 /nfs/dbraw/zinc/91/05/95/624910595.db2.gz CGVAWRHZNDXZDL-JHJVBQTASA-N 2 2 289.383 0.791 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000892030253 625034073 /nfs/dbraw/zinc/03/40/73/625034073.db2.gz FLBHEDNMYLPOLF-CYBMUJFWSA-N 2 2 273.340 0.919 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H](C[NH2+]C[C@H]2CCOC2)C1 ZINC001027245820 625765323 /nfs/dbraw/zinc/76/53/23/625765323.db2.gz GIZSBCNFLFXSGG-ZIAGYGMSSA-N 2 2 292.383 0.358 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H](C[NH2+]C[C@@H]2CCOC2)C1 ZINC001027245817 625765720 /nfs/dbraw/zinc/76/57/20/625765720.db2.gz GIZSBCNFLFXSGG-KBPBESRZSA-N 2 2 292.383 0.358 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H](C[NH2+]Cc2ccccn2)C1 ZINC001027246577 625766863 /nfs/dbraw/zinc/76/68/63/625766863.db2.gz ZXTKRBLVJVZIDV-AWEZNQCLSA-N 2 2 299.378 0.916 20 0 CCADLP C[C@@H](CC(N)=O)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903385036 634556111 /nfs/dbraw/zinc/55/61/11/634556111.db2.gz VEXRAKZYSMCZIZ-WCQYABFASA-N 2 2 264.373 0.928 20 0 CCADLP O=C1NCCO[C@@H]2CCC[N@H+](C[C@H]3CCCC[NH2+]C3)[C@@H]12 ZINC000903780074 634649657 /nfs/dbraw/zinc/64/96/57/634649657.db2.gz CWLVFMUUIIXVLL-BFHYXJOUSA-N 2 2 281.400 0.356 20 0 CCADLP O=C1NCCO[C@@H]2CCC[N@@H+](C[C@H]3CCCC[NH2+]C3)[C@@H]12 ZINC000903780074 634649663 /nfs/dbraw/zinc/64/96/63/634649663.db2.gz CWLVFMUUIIXVLL-BFHYXJOUSA-N 2 2 281.400 0.356 20 0 CCADLP [NH3+]C[C@H]1CCCC[N@@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903779250 634649694 /nfs/dbraw/zinc/64/96/94/634649694.db2.gz XHLANWVGGAKXCS-MCIONIFRSA-N 3 2 253.390 0.568 20 0 CCADLP [NH3+]C[C@H]1CCCC[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903779250 634649697 /nfs/dbraw/zinc/64/96/97/634649697.db2.gz XHLANWVGGAKXCS-MCIONIFRSA-N 3 2 253.390 0.568 20 0 CCADLP Cn1nccc1[C@@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000903823274 634659118 /nfs/dbraw/zinc/65/91/18/634659118.db2.gz FUDOZBSSOZGMPO-OCCSQVGLSA-N 2 2 292.383 0.172 20 0 CCADLP Cn1nccc1[C@@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000903823274 634659124 /nfs/dbraw/zinc/65/91/24/634659124.db2.gz FUDOZBSSOZGMPO-OCCSQVGLSA-N 2 2 292.383 0.172 20 0 CCADLP c1csc(C[C@@H]2CC[N@H+](C[C@@H]3C[NH2+]CCO3)C2)n1 ZINC000903833467 634663591 /nfs/dbraw/zinc/66/35/91/634663591.db2.gz XBPRRDXRDNJRNY-RYUDHWBXSA-N 2 2 267.398 0.996 20 0 CCADLP c1csc(C[C@@H]2CC[N@@H+](C[C@@H]3C[NH2+]CCO3)C2)n1 ZINC000903833467 634663594 /nfs/dbraw/zinc/66/35/94/634663594.db2.gz XBPRRDXRDNJRNY-RYUDHWBXSA-N 2 2 267.398 0.996 20 0 CCADLP [NH3+][C@H](C[NH2+][C@H]1C[C@@H]2CCCCN2C1=O)CC(F)F ZINC000903929604 634689522 /nfs/dbraw/zinc/68/95/22/634689522.db2.gz HGGIERYZLPIXJD-GUBZILKMSA-N 2 2 261.316 0.712 20 0 CCADLP [NH3+][C@@H](C[NH2+][C@H]1CCN(C2CCC2)C1=O)CC(F)F ZINC000903935133 634693418 /nfs/dbraw/zinc/69/34/18/634693418.db2.gz NYSUODDGYVDEEN-SCZZXKLOSA-N 2 2 261.316 0.712 20 0 CCADLP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420339 634748171 /nfs/dbraw/zinc/74/81/71/634748171.db2.gz KXZPKOCUHISXGF-MJBXVCDLSA-N 3 2 290.415 0.244 20 0 CCADLP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904420339 634748175 /nfs/dbraw/zinc/74/81/75/634748175.db2.gz KXZPKOCUHISXGF-MJBXVCDLSA-N 3 2 290.415 0.244 20 0 CCADLP O[C@@H](C[NH2+]CCn1cc[nH+]c1)CC1(O)CCCC1 ZINC000905034895 634778426 /nfs/dbraw/zinc/77/84/26/634778426.db2.gz KWALSAVUKDDCCK-GFCCVEGCSA-N 2 2 253.346 0.529 20 0 CCADLP O[C@H](C[NH2+]CCCNc1cccc[nH+]1)C[C@]1(O)CCOC1 ZINC000905128906 634805079 /nfs/dbraw/zinc/80/50/79/634805079.db2.gz WDMKAQHNYIZLQF-DZGCQCFKSA-N 2 2 295.383 0.376 20 0 CCADLP C[C@H](CC(=O)N1CCC[C@H]([N@H+](C)CCO)C1)n1cc[nH+]c1 ZINC001027597482 630794909 /nfs/dbraw/zinc/79/49/09/630794909.db2.gz HKNMMOJETLVYOW-KGLIPLIRSA-N 2 2 294.399 0.749 20 0 CCADLP C[C@H](CC(=O)N1CCC[C@H]([N@@H+](C)CCO)C1)n1cc[nH+]c1 ZINC001027597482 630794915 /nfs/dbraw/zinc/79/49/15/630794915.db2.gz HKNMMOJETLVYOW-KGLIPLIRSA-N 2 2 294.399 0.749 20 0 CCADLP CC[N@H+](C)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027633117 630818701 /nfs/dbraw/zinc/81/87/01/630818701.db2.gz SZCYIPMZLQZPIP-NSHDSACASA-N 2 2 250.346 0.895 20 0 CCADLP CC[N@@H+](C)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027633117 630818703 /nfs/dbraw/zinc/81/87/03/630818703.db2.gz SZCYIPMZLQZPIP-NSHDSACASA-N 2 2 250.346 0.895 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N2CCC[N@H+](CCO)CC2)c[nH+]1 ZINC000981432147 631278007 /nfs/dbraw/zinc/27/80/07/631278007.db2.gz YUHKMHRDVBDKJY-UHFFFAOYSA-N 2 2 294.399 0.453 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N2CCC[N@@H+](CCO)CC2)c[nH+]1 ZINC000981432147 631278011 /nfs/dbraw/zinc/27/80/11/631278011.db2.gz YUHKMHRDVBDKJY-UHFFFAOYSA-N 2 2 294.399 0.453 20 0 CCADLP c1cn(CC[NH2+]Cc2cccc(-c3nn[nH]n3)c2)c[nH+]1 ZINC000095220677 631344571 /nfs/dbraw/zinc/34/45/71/631344571.db2.gz NGUFAFDTFIGVHT-UHFFFAOYSA-N 2 2 269.312 0.853 20 0 CCADLP Cn1nnc2c1C[C@H]([NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)CC2 ZINC000925893097 631438342 /nfs/dbraw/zinc/43/83/42/631438342.db2.gz KSJGMYNZXFPMGK-KCPJHIHWSA-N 2 2 291.399 0.029 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+]CC2CC2)C1 ZINC000968538191 650019381 /nfs/dbraw/zinc/01/93/81/650019381.db2.gz KRDNIRVNEFWQDW-GFCCVEGCSA-N 2 2 262.357 0.943 20 0 CCADLP NC(=O)c1c[nH+]ccc1N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000895567509 632104655 /nfs/dbraw/zinc/10/46/55/632104655.db2.gz QQPUXKQFWTTXNC-OLZOCXBDSA-N 2 2 292.408 0.594 20 0 CCADLP C[C@H](O)CNc1cc(NC[C@@H]2CC[N@H+]2C)nc[nH+]1 ZINC000895772211 632151267 /nfs/dbraw/zinc/15/12/67/632151267.db2.gz XZWIWNXDOJPZJZ-UWVGGRQHSA-N 2 2 251.334 0.385 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]CCF)[C@H]1C ZINC000987423389 632866635 /nfs/dbraw/zinc/86/66/35/632866635.db2.gz VLDGAJUBQXUFDD-MNOVXSKESA-N 2 2 268.336 0.809 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCO)CN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000989043207 633139834 /nfs/dbraw/zinc/13/98/34/633139834.db2.gz RSYSUAWVJHVTRZ-CMPLNLGQSA-N 2 2 288.351 0.748 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000897952834 633263204 /nfs/dbraw/zinc/26/32/04/633263204.db2.gz MWOBRSSDUYQGRN-LBPRGKRZSA-N 2 2 264.373 0.952 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000897952834 633263209 /nfs/dbraw/zinc/26/32/09/633263209.db2.gz MWOBRSSDUYQGRN-LBPRGKRZSA-N 2 2 264.373 0.952 20 0 CCADLP COC[C@@H](C)[N@@H+]1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000989486022 633316222 /nfs/dbraw/zinc/31/62/22/633316222.db2.gz CRZZYCZINRUQHG-CYBMUJFWSA-N 2 2 294.399 0.532 20 0 CCADLP COC[C@@H](C)[N@H+]1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000989486022 633316227 /nfs/dbraw/zinc/31/62/27/633316227.db2.gz CRZZYCZINRUQHG-CYBMUJFWSA-N 2 2 294.399 0.532 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000989783821 633353508 /nfs/dbraw/zinc/35/35/08/633353508.db2.gz GKHCPZDHBQGWIQ-ZDUSSCGKSA-N 2 2 280.372 0.452 20 0 CCADLP CC(C)[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@H]12 ZINC000990111150 633447808 /nfs/dbraw/zinc/44/78/08/633447808.db2.gz ZJWYDONCTVTWPL-IJEWVQPXSA-N 2 2 295.427 0.839 20 0 CCADLP CC(C)[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@H]12 ZINC000990111150 633447813 /nfs/dbraw/zinc/44/78/13/633447813.db2.gz ZJWYDONCTVTWPL-IJEWVQPXSA-N 2 2 295.427 0.839 20 0 CCADLP CC(C)[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+](C)CCO3)CCC[C@H]12 ZINC000990111150 633447818 /nfs/dbraw/zinc/44/78/18/633447818.db2.gz ZJWYDONCTVTWPL-IJEWVQPXSA-N 2 2 295.427 0.839 20 0 CCADLP CC(C)[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](C)CCO3)CCC[C@H]12 ZINC000990111150 633447821 /nfs/dbraw/zinc/44/78/21/633447821.db2.gz ZJWYDONCTVTWPL-IJEWVQPXSA-N 2 2 295.427 0.839 20 0 CCADLP CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@H]12 ZINC000990108206 633448215 /nfs/dbraw/zinc/44/82/15/633448215.db2.gz NKWFJCPTDCRQOE-OFQRWUPVSA-N 2 2 295.427 0.840 20 0 CCADLP CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@H]12 ZINC000990108206 633448218 /nfs/dbraw/zinc/44/82/18/633448218.db2.gz NKWFJCPTDCRQOE-OFQRWUPVSA-N 2 2 295.427 0.840 20 0 CCADLP CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@H+](C)CCO3)CCC[C@H]12 ZINC000990108206 633448220 /nfs/dbraw/zinc/44/82/20/633448220.db2.gz NKWFJCPTDCRQOE-OFQRWUPVSA-N 2 2 295.427 0.840 20 0 CCADLP CCC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC[C@H]12 ZINC000990108206 633448225 /nfs/dbraw/zinc/44/82/25/633448225.db2.gz NKWFJCPTDCRQOE-OFQRWUPVSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)c2ncnn21 ZINC000924630085 633535795 /nfs/dbraw/zinc/53/57/95/633535795.db2.gz WPIKTJWALHDFLA-OLZOCXBDSA-N 2 2 292.431 0.900 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC[C@@H]1CNC(=O)C1 ZINC000926986657 633570268 /nfs/dbraw/zinc/57/02/68/633570268.db2.gz OCDLXJQVBISQME-NTZNESFSSA-N 2 2 251.374 0.585 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC[C@@H]1CNC(=O)C1 ZINC000926986657 633570271 /nfs/dbraw/zinc/57/02/71/633570271.db2.gz OCDLXJQVBISQME-NTZNESFSSA-N 2 2 251.374 0.585 20 0 CCADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2CC[NH+]1CCOCC1 ZINC000054601393 633599274 /nfs/dbraw/zinc/59/92/74/633599274.db2.gz KZMJQLNTPUEBIA-AGUYFDCRSA-N 2 2 253.390 0.663 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)CNc1cccc[nH+]1 ZINC000900449083 634022626 /nfs/dbraw/zinc/02/26/26/634022626.db2.gz PKVDYTPFHZUILV-UHFFFAOYSA-N 2 2 259.313 0.815 20 0 CCADLP C[C@@H]1CO[C@@H](C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000900692648 634071452 /nfs/dbraw/zinc/07/14/52/634071452.db2.gz IWEHWXZBTCMSLJ-DZGCQCFKSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@@H]1CO[C@@H](C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000900692648 634071456 /nfs/dbraw/zinc/07/14/56/634071456.db2.gz IWEHWXZBTCMSLJ-DZGCQCFKSA-N 2 2 297.443 0.896 20 0 CCADLP COC[C@H](C)[N@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001009347150 650143223 /nfs/dbraw/zinc/14/32/23/650143223.db2.gz PNEHSAUBOJMSRH-AAEUAGOBSA-N 2 2 294.399 0.876 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@H+](CCF)C1 ZINC001009522588 650147565 /nfs/dbraw/zinc/14/75/65/650147565.db2.gz HCLZKESXYGHSSU-LBPRGKRZSA-N 2 2 268.336 0.742 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCC[N@@H+](CCF)C1 ZINC001009522588 650147569 /nfs/dbraw/zinc/14/75/69/650147569.db2.gz HCLZKESXYGHSSU-LBPRGKRZSA-N 2 2 268.336 0.742 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000906592651 635007978 /nfs/dbraw/zinc/00/79/78/635007978.db2.gz AXEDCAQYCXXTMC-CQSZACIVSA-N 2 2 297.443 0.776 20 0 CCADLP [NH3+][C@@H](CC(=O)Nc1ccc(N2CC[NH2+]CC2)cn1)C(F)F ZINC000911736115 636359883 /nfs/dbraw/zinc/35/98/83/636359883.db2.gz NKMMHLKYFSPISO-JTQLQIEISA-N 2 2 299.325 0.412 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000911769346 636372733 /nfs/dbraw/zinc/37/27/33/636372733.db2.gz UZGJRBKHVWIRGL-QWRGUYRKSA-N 2 2 250.346 0.704 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000911769346 636372736 /nfs/dbraw/zinc/37/27/36/636372736.db2.gz UZGJRBKHVWIRGL-QWRGUYRKSA-N 2 2 250.346 0.704 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[NH2+]CC1(C)C ZINC000911844455 636420649 /nfs/dbraw/zinc/42/06/49/636420649.db2.gz GKZQLWIUHKFOBO-SNVBAGLBSA-N 2 2 250.346 0.799 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000912613857 636624542 /nfs/dbraw/zinc/62/45/42/636624542.db2.gz HLHBZODAKWNVHC-GRYCIOLGSA-N 2 2 280.372 0.443 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000912613857 636624549 /nfs/dbraw/zinc/62/45/49/636624549.db2.gz HLHBZODAKWNVHC-GRYCIOLGSA-N 2 2 280.372 0.443 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000225353884 636942790 /nfs/dbraw/zinc/94/27/90/636942790.db2.gz JJPCYNJSFGXHAM-UONOGXRCSA-N 2 2 276.384 0.048 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000225353884 636942806 /nfs/dbraw/zinc/94/28/06/636942806.db2.gz JJPCYNJSFGXHAM-UONOGXRCSA-N 2 2 276.384 0.048 20 0 CCADLP COC[C@H]([NH3+])C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000167757814 636974308 /nfs/dbraw/zinc/97/43/08/636974308.db2.gz PYNVCMCNUIPCPS-WDEREUQCSA-N 2 2 268.361 0.388 20 0 CCADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnc(N)cn3)CC[C@@H]21 ZINC000231301737 637212163 /nfs/dbraw/zinc/21/21/63/637212163.db2.gz PFYGLEOJDXRFFS-YPMHNXCESA-N 2 2 261.373 0.975 20 0 CCADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnc(N)cn3)CC[C@@H]21 ZINC000231301737 637212168 /nfs/dbraw/zinc/21/21/68/637212168.db2.gz PFYGLEOJDXRFFS-YPMHNXCESA-N 2 2 261.373 0.975 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnc(N)cn3)CC[C@@H]21 ZINC000231301737 637212171 /nfs/dbraw/zinc/21/21/71/637212171.db2.gz PFYGLEOJDXRFFS-YPMHNXCESA-N 2 2 261.373 0.975 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnc(N)cn3)CC[C@@H]21 ZINC000231301737 637212182 /nfs/dbraw/zinc/21/21/82/637212182.db2.gz PFYGLEOJDXRFFS-YPMHNXCESA-N 2 2 261.373 0.975 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000232112627 637245173 /nfs/dbraw/zinc/24/51/73/637245173.db2.gz PUKDIOLAQJNGMW-NEPJUHHUSA-N 2 2 282.388 0.778 20 0 CCADLP CC(C)[C@H](CNC1=[NH+]C[C@@H](C)N1)[NH+]1CCN(C)CC1 ZINC000311488892 637317868 /nfs/dbraw/zinc/31/78/68/637317868.db2.gz MRCJTBAKXKFRGN-OLZOCXBDSA-N 2 2 267.421 0.196 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@@H+]1C ZINC000913877084 637457818 /nfs/dbraw/zinc/45/78/18/637457818.db2.gz VXKPAGBBUNTUMY-CHWSQXEVSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@H+]1C ZINC000913877084 637457828 /nfs/dbraw/zinc/45/78/28/637457828.db2.gz VXKPAGBBUNTUMY-CHWSQXEVSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H]1[C@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@@H+]1C ZINC000913877086 637458599 /nfs/dbraw/zinc/45/85/99/637458599.db2.gz VXKPAGBBUNTUMY-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H]1[C@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@H+]1C ZINC000913877086 637458603 /nfs/dbraw/zinc/45/86/03/637458603.db2.gz VXKPAGBBUNTUMY-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)O[C@H]1CCOC1 ZINC000913942477 637473236 /nfs/dbraw/zinc/47/32/36/637473236.db2.gz JPZMCJXVIACKKR-AWEZNQCLSA-N 2 2 299.415 0.870 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)O[C@H]1CCOC1 ZINC000913942477 637473242 /nfs/dbraw/zinc/47/32/42/637473242.db2.gz JPZMCJXVIACKKR-AWEZNQCLSA-N 2 2 299.415 0.870 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@H]([NH2+]CCO)[C@@H]2C1 ZINC000992880499 637631450 /nfs/dbraw/zinc/63/14/50/637631450.db2.gz VRFIMBIAYVYKBI-XQQFMLRXSA-N 2 2 292.383 0.161 20 0 CCADLP O=C(NC1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1)C1CC1 ZINC000915226652 637736331 /nfs/dbraw/zinc/73/63/31/637736331.db2.gz OIZIRFYRRWPRQQ-OAHLLOKOSA-N 2 2 295.427 0.434 20 0 CCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000915662340 637780068 /nfs/dbraw/zinc/78/00/68/637780068.db2.gz IRTUUIXXOKVKRA-YPMHNXCESA-N 2 2 279.388 0.831 20 0 CCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@@H]1CC[N@H+]1C ZINC000915662340 637780072 /nfs/dbraw/zinc/78/00/72/637780072.db2.gz IRTUUIXXOKVKRA-YPMHNXCESA-N 2 2 279.388 0.831 20 0 CCADLP Cn1c[nH+]cc1CNS(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2 ZINC000915716565 637785991 /nfs/dbraw/zinc/78/59/91/637785991.db2.gz DRDBAHXUCHRUOD-ZDUSSCGKSA-N 2 2 298.412 0.325 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=S)NCCC[NH+](C)C ZINC000916004392 637882893 /nfs/dbraw/zinc/88/28/93/637882893.db2.gz MDLIPHJVSKCHJG-LBPRGKRZSA-N 2 2 288.461 0.123 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]([NH2+]CCF)C(C)(C)C1 ZINC000996516249 638821394 /nfs/dbraw/zinc/82/13/94/638821394.db2.gz YPSJGGKIUKCSQV-LBPRGKRZSA-N 2 2 282.363 0.759 20 0 CCADLP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CC[N@H+](CCF)C2)n1 ZINC001014469898 650454852 /nfs/dbraw/zinc/45/48/52/650454852.db2.gz JEXRHRLMOAAHFA-LBPRGKRZSA-N 2 2 297.378 0.218 20 0 CCADLP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CC[N@@H+](CCF)C2)n1 ZINC001014469898 650454855 /nfs/dbraw/zinc/45/48/55/650454855.db2.gz JEXRHRLMOAAHFA-LBPRGKRZSA-N 2 2 297.378 0.218 20 0 CCADLP CC[NH2+]C1CC(N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000999753517 638997192 /nfs/dbraw/zinc/99/71/92/638997192.db2.gz NVCIAWXCWRRYGR-UHFFFAOYSA-N 2 2 250.346 0.860 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001000322243 639070685 /nfs/dbraw/zinc/07/06/85/639070685.db2.gz WFCPLKRFEZNCKU-OLZOCXBDSA-N 2 2 292.383 0.569 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCF)C1 ZINC001014965531 650508897 /nfs/dbraw/zinc/50/88/97/650508897.db2.gz URKLALPHMNLWMA-RYUDHWBXSA-N 2 2 257.353 0.631 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCF)C1 ZINC001014965531 650508900 /nfs/dbraw/zinc/50/89/00/650508900.db2.gz URKLALPHMNLWMA-RYUDHWBXSA-N 2 2 257.353 0.631 20 0 CCADLP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCF)C1 ZINC001014965531 650508902 /nfs/dbraw/zinc/50/89/02/650508902.db2.gz URKLALPHMNLWMA-RYUDHWBXSA-N 2 2 257.353 0.631 20 0 CCADLP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCF)C1 ZINC001014965531 650508904 /nfs/dbraw/zinc/50/89/04/650508904.db2.gz URKLALPHMNLWMA-RYUDHWBXSA-N 2 2 257.353 0.631 20 0 CCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCO)C1)C2 ZINC001015013284 650515123 /nfs/dbraw/zinc/51/51/23/650515123.db2.gz JKWUYBHIKKDBIC-NEPJUHHUSA-N 2 2 292.383 0.006 20 0 CCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CCO)C1)C2 ZINC001015013284 650515125 /nfs/dbraw/zinc/51/51/25/650515125.db2.gz JKWUYBHIKKDBIC-NEPJUHHUSA-N 2 2 292.383 0.006 20 0 CCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CC[N@H+](CCO)C1)CC2 ZINC001015013284 650515126 /nfs/dbraw/zinc/51/51/26/650515126.db2.gz JKWUYBHIKKDBIC-NEPJUHHUSA-N 2 2 292.383 0.006 20 0 CCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CC[N@@H+](CCO)C1)CC2 ZINC001015013284 650515127 /nfs/dbraw/zinc/51/51/27/650515127.db2.gz JKWUYBHIKKDBIC-NEPJUHHUSA-N 2 2 292.383 0.006 20 0 CCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000923323852 640087098 /nfs/dbraw/zinc/08/70/98/640087098.db2.gz APVMQXXYSKCJEF-XUXIUFHCSA-N 3 2 253.390 0.255 20 0 CCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000923323852 640087104 /nfs/dbraw/zinc/08/71/04/640087104.db2.gz APVMQXXYSKCJEF-XUXIUFHCSA-N 3 2 253.390 0.255 20 0 CCADLP [NH3+]CC[N@H+](CCc1ccccc1)C[C@H](O)Cn1cccn1 ZINC000923351600 640098143 /nfs/dbraw/zinc/09/81/43/640098143.db2.gz MORAAKDHKMWHSG-INIZCTEOSA-N 2 2 288.395 0.747 20 0 CCADLP [NH3+]CC[N@@H+](CCc1ccccc1)C[C@H](O)Cn1cccn1 ZINC000923351600 640098145 /nfs/dbraw/zinc/09/81/45/640098145.db2.gz MORAAKDHKMWHSG-INIZCTEOSA-N 2 2 288.395 0.747 20 0 CCADLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CCC[NH2+]C3CC3)C2)nn1 ZINC000923374821 640109419 /nfs/dbraw/zinc/10/94/19/640109419.db2.gz CXDSDNCVMRJUAM-CQSZACIVSA-N 3 2 278.404 0.516 20 0 CCADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CC[NH+](CCCO)CC1 ZINC001006067406 640113891 /nfs/dbraw/zinc/11/38/91/640113891.db2.gz WFPVWTRKPIJQGB-UHFFFAOYSA-N 2 2 280.372 0.257 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923444899 640139338 /nfs/dbraw/zinc/13/93/38/640139338.db2.gz IPWYNDOSIZUGIE-AWEZNQCLSA-N 3 2 278.400 0.792 20 0 CCADLP C[C@H](O)C[NH+]1CCC(N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001006192990 640199616 /nfs/dbraw/zinc/19/96/16/640199616.db2.gz PMLBGNDUHGLUGV-NSHDSACASA-N 2 2 280.372 0.256 20 0 CCADLP Cc1cnn([C@H]2CC[N@H+](C[C@@H](O)C[NH+]3CCCC3)C2)c1 ZINC000810121776 640925765 /nfs/dbraw/zinc/92/57/65/640925765.db2.gz QQIOFRCLFHIYNO-GJZGRUSLSA-N 2 2 278.400 0.895 20 0 CCADLP Cc1cnn([C@H]2CC[N@@H+](C[C@@H](O)C[NH+]3CCCC3)C2)c1 ZINC000810121776 640925771 /nfs/dbraw/zinc/92/57/71/640925771.db2.gz QQIOFRCLFHIYNO-GJZGRUSLSA-N 2 2 278.400 0.895 20 0 CCADLP c1cn(-c2ccnc(-c3nc(N4CC[NH2+]CC4)no3)c2)c[nH+]1 ZINC000823304429 641754377 /nfs/dbraw/zinc/75/43/77/641754377.db2.gz WABDQBSMMHJXKC-UHFFFAOYSA-N 2 2 297.322 0.727 20 0 CCADLP Cc1nocc1C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016252536 650705554 /nfs/dbraw/zinc/70/55/54/650705554.db2.gz STZAVVKIOWRPAU-AWEZNQCLSA-N 2 2 292.383 0.769 20 0 CCADLP Cc1nocc1C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016252536 650705557 /nfs/dbraw/zinc/70/55/57/650705557.db2.gz STZAVVKIOWRPAU-AWEZNQCLSA-N 2 2 292.383 0.769 20 0 CCADLP Cc1ncoc1C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016251111 650704756 /nfs/dbraw/zinc/70/47/56/650704756.db2.gz JYMAZCKESQFFEA-CYBMUJFWSA-N 2 2 292.383 0.769 20 0 CCADLP Cc1ncoc1C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016251111 650704757 /nfs/dbraw/zinc/70/47/57/650704757.db2.gz JYMAZCKESQFFEA-CYBMUJFWSA-N 2 2 292.383 0.769 20 0 CCADLP CC[C@@H](C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1)OC ZINC001016398867 650725077 /nfs/dbraw/zinc/72/50/77/650725077.db2.gz ZGWOKTNMNBXKEW-STQMWFEESA-N 2 2 280.372 0.499 20 0 CCADLP CC[C@@H](C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1)OC ZINC001016398867 650725079 /nfs/dbraw/zinc/72/50/79/650725079.db2.gz ZGWOKTNMNBXKEW-STQMWFEESA-N 2 2 280.372 0.499 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3n[nH]c4c3C[NH2+]CC4)C[C@H]21 ZINC000834474703 642571841 /nfs/dbraw/zinc/57/18/41/642571841.db2.gz DTRCRPJBXCOQOO-MVWJERBFSA-N 2 2 289.383 0.255 20 0 CCADLP O=S(=O)(C1C[NH+](CC2CCCC2)C1)N1CC[NH2+]CC1 ZINC000843054686 642981143 /nfs/dbraw/zinc/98/11/43/642981143.db2.gz BFALNJKNTKZZST-UHFFFAOYSA-N 2 2 287.429 0.096 20 0 CCADLP C[N@H+](CC(F)F)C1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000844188853 643176769 /nfs/dbraw/zinc/17/67/69/643176769.db2.gz ZDKWIZVNBRJACJ-NSHDSACASA-N 2 2 291.342 0.163 20 0 CCADLP C[N@@H+](CC(F)F)C1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000844188853 643176778 /nfs/dbraw/zinc/17/67/78/643176778.db2.gz ZDKWIZVNBRJACJ-NSHDSACASA-N 2 2 291.342 0.163 20 0 CCADLP COC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001017997455 650839035 /nfs/dbraw/zinc/83/90/35/650839035.db2.gz CGZXNFYHKYQPDV-BNOWGMLFSA-N 2 2 292.383 0.662 20 0 CCADLP COC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001017997455 650839038 /nfs/dbraw/zinc/83/90/38/650839038.db2.gz CGZXNFYHKYQPDV-BNOWGMLFSA-N 2 2 292.383 0.662 20 0 CCADLP COCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]cn1C ZINC001018177498 650846889 /nfs/dbraw/zinc/84/68/89/650846889.db2.gz ZNRNSFLSBWIHGF-BETUJISGSA-N 2 2 292.383 0.284 20 0 CCADLP COCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]cn1C ZINC001018177498 650846890 /nfs/dbraw/zinc/84/68/90/650846890.db2.gz ZNRNSFLSBWIHGF-BETUJISGSA-N 2 2 292.383 0.284 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852437383 643965516 /nfs/dbraw/zinc/96/55/16/643965516.db2.gz BAPGTHZOMZGFPK-GFCCVEGCSA-N 2 2 264.329 0.489 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](N2CCOC2=O)C1 ZINC000852443628 643966442 /nfs/dbraw/zinc/96/64/42/643966442.db2.gz PSQDEVGJVDRLJA-QWHCGFSZSA-N 2 2 285.388 0.214 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](N2CCOC2=O)C1 ZINC000852443628 643966448 /nfs/dbraw/zinc/96/64/48/643966448.db2.gz PSQDEVGJVDRLJA-QWHCGFSZSA-N 2 2 285.388 0.214 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852443628 643966454 /nfs/dbraw/zinc/96/64/54/643966454.db2.gz PSQDEVGJVDRLJA-QWHCGFSZSA-N 2 2 285.388 0.214 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852443628 643966459 /nfs/dbraw/zinc/96/64/59/643966459.db2.gz PSQDEVGJVDRLJA-QWHCGFSZSA-N 2 2 285.388 0.214 20 0 CCADLP C[C@@H](CCNC(=O)NCC[N@@H+]1CCO[C@H](C)C1)[NH+](C)C ZINC000853605577 644128143 /nfs/dbraw/zinc/12/81/43/644128143.db2.gz MUWRWPXTHGUWCH-QWHCGFSZSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@@H](CCNC(=O)NCC[N@H+]1CCO[C@H](C)C1)[NH+](C)C ZINC000853605577 644128147 /nfs/dbraw/zinc/12/81/47/644128147.db2.gz MUWRWPXTHGUWCH-QWHCGFSZSA-N 2 2 286.420 0.347 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cnon2)C1 ZINC001019043718 650933394 /nfs/dbraw/zinc/93/33/94/650933394.db2.gz FPRRJFBLVRGWOR-AAEUAGOBSA-N 2 2 293.371 0.244 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cnon2)C1 ZINC001019043718 650933396 /nfs/dbraw/zinc/93/33/96/650933396.db2.gz FPRRJFBLVRGWOR-AAEUAGOBSA-N 2 2 293.371 0.244 20 0 CCADLP Cc1cccc(NCCNc2nc(N)[nH+]c(N)n2)[nH+]1 ZINC000858409734 644616730 /nfs/dbraw/zinc/61/67/30/644616730.db2.gz OTPXRCCVSXMPKY-UHFFFAOYSA-N 2 2 260.305 0.263 20 0 CCADLP Cc1cccc(NCCNc2nc(N)nc(N)[nH+]2)[nH+]1 ZINC000858409734 644616735 /nfs/dbraw/zinc/61/67/35/644616735.db2.gz OTPXRCCVSXMPKY-UHFFFAOYSA-N 2 2 260.305 0.263 20 0 CCADLP Cc1c(C[NH2+]CC(=O)N2CC[NH+](C)CC2)ccnc1F ZINC000862275309 644991506 /nfs/dbraw/zinc/99/15/06/644991506.db2.gz QFTYLEPWPMHGGT-UHFFFAOYSA-N 2 2 280.347 0.393 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H]1CCC=CO1 ZINC000862464840 645002204 /nfs/dbraw/zinc/00/22/04/645002204.db2.gz KGMQYHBPCSZEQY-STQMWFEESA-N 2 2 267.373 0.609 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H]1CCC=CO1 ZINC000862464840 645002207 /nfs/dbraw/zinc/00/22/07/645002207.db2.gz KGMQYHBPCSZEQY-STQMWFEESA-N 2 2 267.373 0.609 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([NH2+]Cc2cccnc2)C1 ZINC001019436984 650973291 /nfs/dbraw/zinc/97/32/91/650973291.db2.gz BSBVWCOXYWWNNR-ZDUSSCGKSA-N 2 2 285.351 0.738 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]([NH2+]CCF)C1 ZINC001019493597 650977900 /nfs/dbraw/zinc/97/79/00/650977900.db2.gz FWCDNWONJRNSSM-QWRGUYRKSA-N 2 2 268.336 0.748 20 0 CCADLP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(OCC(N)=O)cc2)C[NH2+]1 ZINC000863484812 645099909 /nfs/dbraw/zinc/09/99/09/645099909.db2.gz NCZJRAQGJSXXMJ-WCQYABFASA-N 2 2 277.368 0.781 20 0 CCADLP C[C@H](CNC(=O)/C=C\C[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000864931101 645305090 /nfs/dbraw/zinc/30/50/90/645305090.db2.gz IWUYDQSCXNOQNE-FOSCPCJNSA-N 2 2 295.427 0.723 20 0 CCADLP C[C@H](O)[C@@H](O)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000865738994 645408221 /nfs/dbraw/zinc/40/82/21/645408221.db2.gz RMBMOTALKDQRRZ-WPRPVWTQSA-N 2 2 259.375 0.036 20 0 CCADLP C[C@H](O)[C@H](O)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000865738792 645408766 /nfs/dbraw/zinc/40/87/66/645408766.db2.gz PXHBMPBSBAIQIV-GXSJLCMTSA-N 2 2 284.322 0.735 20 0 CCADLP Cc1cccnc1NC(=O)C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000866659260 645562523 /nfs/dbraw/zinc/56/25/23/645562523.db2.gz JJRLMIDDVNHUFP-UHFFFAOYSA-N 2 2 291.399 0.166 20 0 CCADLP Cc1cccnc1NC(=O)C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000866659260 645562526 /nfs/dbraw/zinc/56/25/26/645562526.db2.gz JJRLMIDDVNHUFP-UHFFFAOYSA-N 2 2 291.399 0.166 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(O)cc2)C[C@H]1C[NH3+] ZINC000866674134 645570652 /nfs/dbraw/zinc/57/06/52/645570652.db2.gz SDTZGKVVNDISJO-GHMZBOCLSA-N 2 2 263.341 0.857 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(O)cc2)C[C@H]1C[NH3+] ZINC000866674134 645570658 /nfs/dbraw/zinc/57/06/58/645570658.db2.gz SDTZGKVVNDISJO-GHMZBOCLSA-N 2 2 263.341 0.857 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2CC[NH2+]CCC2(C)C)CCO1 ZINC000866697339 645576288 /nfs/dbraw/zinc/57/62/88/645576288.db2.gz MYXVEFDRPTXNCI-CYBMUJFWSA-N 2 2 255.406 0.781 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2CC[NH2+]CCC2(C)C)CCO1 ZINC000866697339 645576295 /nfs/dbraw/zinc/57/62/95/645576295.db2.gz MYXVEFDRPTXNCI-CYBMUJFWSA-N 2 2 255.406 0.781 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869776958 645924723 /nfs/dbraw/zinc/92/47/23/645924723.db2.gz CORLKLXCDFFWAC-NSHDSACASA-N 2 2 280.372 0.222 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000869776958 645924732 /nfs/dbraw/zinc/92/47/32/645924732.db2.gz CORLKLXCDFFWAC-NSHDSACASA-N 2 2 280.372 0.222 20 0 CCADLP C[C@H](CC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)n1cc[nH+]c1 ZINC000869776660 645924933 /nfs/dbraw/zinc/92/49/33/645924933.db2.gz QNLKLXSIGMFEEF-OLZOCXBDSA-N 2 2 294.399 0.796 20 0 CCADLP C[C@H](CC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1)n1cc[nH+]c1 ZINC000869776660 645924942 /nfs/dbraw/zinc/92/49/42/645924942.db2.gz QNLKLXSIGMFEEF-OLZOCXBDSA-N 2 2 294.399 0.796 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[C@H](C)CO1 ZINC000870953183 646059985 /nfs/dbraw/zinc/05/99/85/646059985.db2.gz OCPDZCOUMFPZOT-NTASLKFISA-N 2 2 281.400 0.339 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)[C@H](C)CO1 ZINC000870953183 646059992 /nfs/dbraw/zinc/05/99/92/646059992.db2.gz OCPDZCOUMFPZOT-NTASLKFISA-N 2 2 281.400 0.339 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872152540 646214838 /nfs/dbraw/zinc/21/48/38/646214838.db2.gz SWWGPRPUYMLISH-WOPDTQHZSA-N 2 2 295.349 0.776 20 0 CCADLP C[C@@H]([NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)C1CC[NH2+]CC1 ZINC000873270358 646368602 /nfs/dbraw/zinc/36/86/02/646368602.db2.gz RJBJGWIPJAFRLS-UGFHNGPFSA-N 3 2 267.417 0.731 20 0 CCADLP NC(=O)COc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000020361642 646444909 /nfs/dbraw/zinc/44/49/09/646444909.db2.gz AGBUNQUABMJOLR-UHFFFAOYSA-N 2 2 288.351 0.927 20 0 CCADLP O=C(NCCn1cc[nH+]c1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000874434004 646464950 /nfs/dbraw/zinc/46/49/50/646464950.db2.gz XPUQILOWRQDQKH-NWDGAFQWSA-N 2 2 263.345 0.419 20 0 CCADLP Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@@H](N)C[NH+](C)C ZINC000876721923 646649321 /nfs/dbraw/zinc/64/93/21/646649321.db2.gz XZMHCNFOXITRFY-NSHDSACASA-N 2 2 288.355 0.403 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876724440 646651195 /nfs/dbraw/zinc/65/11/95/646651195.db2.gz XEDSKPFRRBRJBA-WOPDTQHZSA-N 2 2 269.389 0.197 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876730107 646652263 /nfs/dbraw/zinc/65/22/63/646652263.db2.gz CTVGVMQKPZYHMS-VWYCJHECSA-N 2 2 254.309 0.335 20 0 CCADLP O=C([C@H](F)[C@H]1CC[NH2+]C1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000876733024 646653533 /nfs/dbraw/zinc/65/35/33/646653533.db2.gz MIVLODYPQABDOZ-BFHYXJOUSA-N 2 2 299.390 0.257 20 0 CCADLP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CC[NH+](C)CC1 ZINC000876790141 646664912 /nfs/dbraw/zinc/66/49/12/646664912.db2.gz UODLKOMAMMEDRE-ZDUSSCGKSA-N 2 2 291.399 0.504 20 0 CCADLP O=C(c1n[nH]c2c1C[NH2+]CC2)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000877267249 646773360 /nfs/dbraw/zinc/77/33/60/646773360.db2.gz ZOJUHDQMDYULNA-MFKMUULPSA-N 2 2 289.383 0.270 20 0 CCADLP O=C(c1n[nH]c2c1C[NH2+]CC2)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000877267244 646773395 /nfs/dbraw/zinc/77/33/95/646773395.db2.gz ZOJUHDQMDYULNA-GWCFXTLKSA-N 2 2 289.383 0.270 20 0 CCADLP O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)[C@H]1CCc2[nH+]ccn2C1 ZINC000877388144 646808676 /nfs/dbraw/zinc/80/86/76/646808676.db2.gz WIXIXWYCKJECFW-HUBLWGQQSA-N 2 2 274.368 0.846 20 0 CCADLP c1nnnn1CC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000878320192 646893576 /nfs/dbraw/zinc/89/35/76/646893576.db2.gz BOYIVXLAAZBRNT-UHFFFAOYSA-N 2 2 273.344 0.645 20 0 CCADLP O=C1C[C@@H](C[N@@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)CN1 ZINC000880207318 647170518 /nfs/dbraw/zinc/17/05/18/647170518.db2.gz XZKILLFCTUYPCZ-OCCSQVGLSA-N 2 2 281.400 0.356 20 0 CCADLP O=C1C[C@@H](C[N@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)CN1 ZINC000880207318 647170522 /nfs/dbraw/zinc/17/05/22/647170522.db2.gz XZKILLFCTUYPCZ-OCCSQVGLSA-N 2 2 281.400 0.356 20 0 CCADLP C[C@@H](O)CCC[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880254275 647175369 /nfs/dbraw/zinc/17/53/69/647175369.db2.gz RAMXGVLPONYEOZ-CQSZACIVSA-N 2 2 297.443 0.953 20 0 CCADLP Nc1cnccc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000882984961 647472109 /nfs/dbraw/zinc/47/21/09/647472109.db2.gz AKYGGNKOXVHBIO-OLZOCXBDSA-N 2 2 262.357 0.617 20 0 CCADLP Nc1cnccc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000882984961 647472113 /nfs/dbraw/zinc/47/21/13/647472113.db2.gz AKYGGNKOXVHBIO-OLZOCXBDSA-N 2 2 262.357 0.617 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N(C)[C@H]2CC[NH2+]C2)c[nH+]1 ZINC000884028602 647617563 /nfs/dbraw/zinc/61/75/63/647617563.db2.gz LNLSAEMBBINONZ-NSHDSACASA-N 2 2 250.346 0.747 20 0 CCADLP [NH3+][C@H](CC(=O)NCCCCn1cc[nH+]c1)C1CC1 ZINC000137384744 647920448 /nfs/dbraw/zinc/92/04/48/647920448.db2.gz MKOPHHIOPQEAEB-GFCCVEGCSA-N 2 2 250.346 0.907 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1cc(N)cc[nH+]1 ZINC000887278370 648086892 /nfs/dbraw/zinc/08/68/92/648086892.db2.gz ACYWYKJDVJPVAN-SNVBAGLBSA-N 2 2 274.328 0.748 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000887924182 648171552 /nfs/dbraw/zinc/17/15/52/648171552.db2.gz AUWRXUDYNHHHTL-TYNCELHUSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000887924182 648171558 /nfs/dbraw/zinc/17/15/58/648171558.db2.gz AUWRXUDYNHHHTL-TYNCELHUSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000887924182 648171563 /nfs/dbraw/zinc/17/15/63/648171563.db2.gz AUWRXUDYNHHHTL-TYNCELHUSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000887924182 648171566 /nfs/dbraw/zinc/17/15/66/648171566.db2.gz AUWRXUDYNHHHTL-TYNCELHUSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000925532633 648440593 /nfs/dbraw/zinc/44/05/93/648440593.db2.gz XIDWWFLSIFZLDG-DZGCQCFKSA-N 3 2 268.449 0.743 20 0 CCADLP Cn1cc([C@@H](O)C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cn1 ZINC000925518202 648440820 /nfs/dbraw/zinc/44/08/20/648440820.db2.gz QAGNVQVREYFBLY-QWHCGFSZSA-N 2 2 264.373 0.718 20 0 CCADLP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000925724200 648457197 /nfs/dbraw/zinc/45/71/97/648457197.db2.gz XBUHSCMELFOYOG-MJBXVCDLSA-N 3 2 296.459 0.822 20 0 CCADLP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000925724200 648457201 /nfs/dbraw/zinc/45/72/01/648457201.db2.gz XBUHSCMELFOYOG-MJBXVCDLSA-N 3 2 296.459 0.822 20 0 CCADLP [NH3+][C@]1(CO)CCCN(C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000926043153 648483701 /nfs/dbraw/zinc/48/37/01/648483701.db2.gz UIZHPUKJRQWMMN-CQSZACIVSA-N 2 2 289.339 0.652 20 0 CCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H]1CC[N@H+]1C)C2 ZINC000928554732 648648202 /nfs/dbraw/zinc/64/82/02/648648202.db2.gz IOPZCQZHPVWEGW-RYUDHWBXSA-N 2 2 262.357 0.574 20 0 CCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C)C2 ZINC000928554732 648648204 /nfs/dbraw/zinc/64/82/04/648648204.db2.gz IOPZCQZHPVWEGW-RYUDHWBXSA-N 2 2 262.357 0.574 20 0 CCADLP C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCCn1cc[nH+]c1 ZINC000930835240 648913866 /nfs/dbraw/zinc/91/38/66/648913866.db2.gz AIXGUHLHKUUUOI-TUAOUCFPSA-N 2 2 250.346 0.871 20 0 CCADLP C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCCn1cc[nH+]c1 ZINC000930835240 648913870 /nfs/dbraw/zinc/91/38/70/648913870.db2.gz AIXGUHLHKUUUOI-TUAOUCFPSA-N 2 2 250.346 0.871 20 0 CCADLP C[C@H](c1nccc(N)n1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931481040 648994227 /nfs/dbraw/zinc/99/42/27/648994227.db2.gz NDPQZCOGFBGKNX-LLVKDONJSA-N 2 2 279.388 0.508 20 0 CCADLP Nc1cc[nH+]c2c1C[N@H+](CCO[C@@H]1CCOC1)CC2 ZINC000931517203 648999768 /nfs/dbraw/zinc/99/97/68/648999768.db2.gz VRBULJZLNBIIRS-LLVKDONJSA-N 2 2 263.341 0.827 20 0 CCADLP Nc1cc[nH+]c2c1C[N@@H+](CCO[C@@H]1CCOC1)CC2 ZINC000931517203 648999769 /nfs/dbraw/zinc/99/97/69/648999769.db2.gz VRBULJZLNBIIRS-LLVKDONJSA-N 2 2 263.341 0.827 20 0 CCADLP C[C@H](O)[C@H](O)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000931706678 649020595 /nfs/dbraw/zinc/02/05/95/649020595.db2.gz HXUZMRAAXBSACN-AEGPPILISA-N 2 2 275.352 0.956 20 0 CCADLP O=C1NCCC2(CC[NH+](C[C@H](O)C[NH+]3CCCC3)CC2)O1 ZINC000932764302 649088866 /nfs/dbraw/zinc/08/88/66/649088866.db2.gz AOTBPKPYUKPYFF-CYBMUJFWSA-N 2 2 297.399 0.408 20 0 CCADLP C[C@](Cn1cccn1)([NH2+]CCCn1cc[nH+]c1)C(N)=O ZINC000934221581 649162110 /nfs/dbraw/zinc/16/21/10/649162110.db2.gz PFJPODJKKLDMED-CYBMUJFWSA-N 2 2 276.344 0.004 20 0 CCADLP C[C@@](Cn1cccn1)([NH2+]CCC[NH+]1CCCCC1)C(N)=O ZINC000934220456 649162433 /nfs/dbraw/zinc/16/24/33/649162433.db2.gz CMAXPGFQNUNYCM-HNNXBMFYSA-N 2 2 293.415 0.593 20 0 CCADLP C[C@H](CNC(=O)c1coc(C[NH3+])c1)C[NH+]1CCOCC1 ZINC000188142447 649342271 /nfs/dbraw/zinc/34/22/71/649342271.db2.gz ZIRLGBSFHUKZEP-LLVKDONJSA-N 2 2 281.356 0.436 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)CCO1 ZINC000248003971 649724694 /nfs/dbraw/zinc/72/46/94/649724694.db2.gz KQHLHOMMWBJDSM-ILXRZTDVSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)CCO1 ZINC000248003971 649724697 /nfs/dbraw/zinc/72/46/97/649724697.db2.gz KQHLHOMMWBJDSM-ILXRZTDVSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CCO1 ZINC000248003971 649724702 /nfs/dbraw/zinc/72/47/02/649724702.db2.gz KQHLHOMMWBJDSM-ILXRZTDVSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CCO1 ZINC000248003971 649724705 /nfs/dbraw/zinc/72/47/05/649724705.db2.gz KQHLHOMMWBJDSM-ILXRZTDVSA-N 2 2 295.427 0.650 20 0 CCADLP c1nc2c(c(N3CC[NH+](C[C@@H]4CCCO4)CC3)n1)C[NH2+]C2 ZINC001165038025 721905461 /nfs/dbraw/zinc/90/54/61/721905461.db2.gz IVRZTQVLMGIASA-LBPRGKRZSA-N 2 2 289.383 0.381 20 0 CCADLP Nc1ccc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)[nH+]c1 ZINC001164965729 722068290 /nfs/dbraw/zinc/06/82/90/722068290.db2.gz KTJLRFCTKMKTNJ-OKILXGFUSA-N 2 2 274.368 0.963 20 0 CCADLP Nc1ccc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)[nH+]c1 ZINC001164965729 722068294 /nfs/dbraw/zinc/06/82/94/722068294.db2.gz KTJLRFCTKMKTNJ-OKILXGFUSA-N 2 2 274.368 0.963 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC1CC[NH+](CCF)CC1 ZINC001230166936 805585591 /nfs/dbraw/zinc/58/55/91/805585591.db2.gz TZBWDKURWBZEET-UHFFFAOYSA-N 2 2 282.363 0.903 20 0 CCADLP Cc1[nH+]cc(C[NH+]2CCC3(C[C@H](O)CO3)CC2)n1C ZINC001206791438 790448337 /nfs/dbraw/zinc/44/83/37/790448337.db2.gz CFRYBXBXBUMXKO-ZDUSSCGKSA-N 2 2 265.357 0.844 20 0 CCADLP Cc1ncc(C[N@@H+](C)CCNC(=O)CC[NH+](C)C)o1 ZINC001266320412 790499224 /nfs/dbraw/zinc/49/92/24/790499224.db2.gz KXJWPVYGINGLGP-UHFFFAOYSA-N 2 2 268.361 0.483 20 0 CCADLP Cc1ncc(C[N@H+](C)CCNC(=O)CC[NH+](C)C)o1 ZINC001266320412 790499228 /nfs/dbraw/zinc/49/92/28/790499228.db2.gz KXJWPVYGINGLGP-UHFFFAOYSA-N 2 2 268.361 0.483 20 0 CCADLP COc1ccc(C)[nH+]c1N1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001167187433 790687350 /nfs/dbraw/zinc/68/73/50/790687350.db2.gz BTOHZOSUSLTACR-QYJAPNMZSA-N 2 2 263.341 0.809 20 0 CCADLP CC(C)OCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001266554994 790920845 /nfs/dbraw/zinc/92/08/45/790920845.db2.gz NVBAWQIZCWOLQA-LBPRGKRZSA-N 2 2 280.372 0.568 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]CC[C@@H]1CCCO1 ZINC001167346603 790933309 /nfs/dbraw/zinc/93/33/09/790933309.db2.gz QCDZVPHRSMHLHJ-ZDUSSCGKSA-N 2 2 280.372 0.617 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]C[C@@H]1CCOC1 ZINC001167350272 790948039 /nfs/dbraw/zinc/94/80/39/790948039.db2.gz RRGJLPAYLHIMGT-NSHDSACASA-N 2 2 266.345 0.085 20 0 CCADLP Cc1oncc1C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167355426 790956982 /nfs/dbraw/zinc/95/69/82/790956982.db2.gz GYLHPBGPGYUZED-UHFFFAOYSA-N 2 2 277.328 0.545 20 0 CCADLP C[C@H](CC(=O)NCCC[NH2+]CC(=O)N(C)C)n1cc[nH+]c1 ZINC001167429041 791065582 /nfs/dbraw/zinc/06/55/82/791065582.db2.gz PJMVTMDOLNDYNC-GFCCVEGCSA-N 2 2 295.387 0.018 20 0 CCADLP Cc1nnc(C[N@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)o1 ZINC001277568507 805858033 /nfs/dbraw/zinc/85/80/33/805858033.db2.gz RVLWQKIJYKWOLW-UHFFFAOYSA-N 2 2 293.415 0.837 20 0 CCADLP Cc1nnc(C[N@@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)o1 ZINC001277568507 805858041 /nfs/dbraw/zinc/85/80/41/805858041.db2.gz RVLWQKIJYKWOLW-UHFFFAOYSA-N 2 2 293.415 0.837 20 0 CCADLP O[C@H](C[NH2+]C[C@H]1CCC[NH2+]1)COc1ccc(F)cc1 ZINC001245983054 807107333 /nfs/dbraw/zinc/10/73/33/807107333.db2.gz RQBBXGFIEQBPPX-CHWSQXEVSA-N 2 2 268.332 0.907 20 0 CCADLP CC[C@H](F)C[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001266996119 791429261 /nfs/dbraw/zinc/42/92/61/791429261.db2.gz NDLXYHDGPRCOHH-QWRGUYRKSA-N 2 2 256.325 0.726 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CCOC1CCC1 ZINC001266995517 791429402 /nfs/dbraw/zinc/42/94/02/791429402.db2.gz IHUWLPCSPPZJSX-GFCCVEGCSA-N 2 2 280.372 0.547 20 0 CCADLP CCc1nnc(C[NH2+]CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001267072063 791501687 /nfs/dbraw/zinc/50/16/87/791501687.db2.gz PLQKCDCXIKRANR-NSHDSACASA-N 2 2 295.387 0.132 20 0 CCADLP CCc1nnc(C[NH2+]CCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001267072063 791501708 /nfs/dbraw/zinc/50/17/08/791501708.db2.gz PLQKCDCXIKRANR-NSHDSACASA-N 2 2 295.387 0.132 20 0 CCADLP CC(C)=CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001038139368 791532194 /nfs/dbraw/zinc/53/21/94/791532194.db2.gz BSLBTLLKRWDOAY-KBPBESRZSA-N 2 2 281.400 0.474 20 0 CCADLP CC(C)=CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001038139368 791532201 /nfs/dbraw/zinc/53/22/01/791532201.db2.gz BSLBTLLKRWDOAY-KBPBESRZSA-N 2 2 281.400 0.474 20 0 CCADLP CC(C)=CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001038139368 791532208 /nfs/dbraw/zinc/53/22/08/791532208.db2.gz BSLBTLLKRWDOAY-KBPBESRZSA-N 2 2 281.400 0.474 20 0 CCADLP CC(C)=CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001038139368 791532210 /nfs/dbraw/zinc/53/22/10/791532210.db2.gz BSLBTLLKRWDOAY-KBPBESRZSA-N 2 2 281.400 0.474 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCC[C@@H]1C[NH2+]CCF ZINC001277910255 806317883 /nfs/dbraw/zinc/31/78/83/806317883.db2.gz OECTZMDUBKXFFN-GFCCVEGCSA-N 2 2 268.336 0.823 20 0 CCADLP c1cc2c(c(C[N@@H+]3CCN[C@]4(CC[NH2+]C4)C3)c1)OCC2 ZINC001235063783 806365652 /nfs/dbraw/zinc/36/56/52/806365652.db2.gz PULVJOHLUODTPL-INIZCTEOSA-N 2 2 273.380 0.759 20 0 CCADLP c1cc2c(c(C[N@H+]3CCN[C@]4(CC[NH2+]C4)C3)c1)OCC2 ZINC001235063783 806365662 /nfs/dbraw/zinc/36/56/62/806365662.db2.gz PULVJOHLUODTPL-INIZCTEOSA-N 2 2 273.380 0.759 20 0 CCADLP [NH3+][C@@H]1NC(CN2CCCC[C@@]23CC[NH2+]C3)=CS1 ZINC001235126044 806376247 /nfs/dbraw/zinc/37/62/47/806376247.db2.gz RGBOSKNEYZQABD-NEPJUHHUSA-N 2 2 254.403 0.625 20 0 CCADLP c1ccc(N2CC[NH2+]CC2)c(C[N@@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC001235261672 806396048 /nfs/dbraw/zinc/39/60/48/806396048.db2.gz PKSUIKPOJVGFPL-RDJZCZTQSA-N 3 2 286.423 0.890 20 0 CCADLP c1ccc(N2CC[NH2+]CC2)c(C[N@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC001235261672 806396058 /nfs/dbraw/zinc/39/60/58/806396058.db2.gz PKSUIKPOJVGFPL-RDJZCZTQSA-N 3 2 286.423 0.890 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]2C1 ZINC001235467254 806427004 /nfs/dbraw/zinc/42/70/04/806427004.db2.gz MYFXJCVVNVSTRD-XPCVCDNBSA-N 2 2 281.400 0.435 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]2C1 ZINC001235467254 806427010 /nfs/dbraw/zinc/42/70/10/806427010.db2.gz MYFXJCVVNVSTRD-XPCVCDNBSA-N 2 2 281.400 0.435 20 0 CCADLP Cc1[nH+]cn(C)c1CN1CCO[C@@H](C[NH+](C)C)C1 ZINC001235537433 806448643 /nfs/dbraw/zinc/44/86/43/806448643.db2.gz HNXLFCSGQRZZFN-LBPRGKRZSA-N 2 2 252.362 0.491 20 0 CCADLP [NH3+]CC[N@@H+]1CCC[C@]2(CCN(CC3CC3)C2=O)C1 ZINC001235550322 806452801 /nfs/dbraw/zinc/45/28/01/806452801.db2.gz PGFMLSKUVHOKHF-AWEZNQCLSA-N 2 2 251.374 0.670 20 0 CCADLP [NH3+]CC[N@H+]1CCC[C@]2(CCN(CC3CC3)C2=O)C1 ZINC001235550322 806452802 /nfs/dbraw/zinc/45/28/02/806452802.db2.gz PGFMLSKUVHOKHF-AWEZNQCLSA-N 2 2 251.374 0.670 20 0 CCADLP Cc1cccc(COC[C@]23COC[C@H]2C[N@H+](CC[NH3+])C3)n1 ZINC001235569531 806459958 /nfs/dbraw/zinc/45/99/58/806459958.db2.gz QYMALFHGYKTWDA-ZBFHGGJFSA-N 2 2 291.395 0.814 20 0 CCADLP Cc1cccc(COC[C@]23COC[C@H]2C[N@@H+](CC[NH3+])C3)n1 ZINC001235569531 806459964 /nfs/dbraw/zinc/45/99/64/806459964.db2.gz QYMALFHGYKTWDA-ZBFHGGJFSA-N 2 2 291.395 0.814 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+]1CC[C@@]2(CC(=O)N(c3cnn(C)c3)C2)C1 ZINC001235583964 806463912 /nfs/dbraw/zinc/46/39/12/806463912.db2.gz NRYLFOBPWVSBHZ-BXUZGUMPSA-N 2 2 277.372 0.196 20 0 CCADLP C[C@@H]([NH3+])C[N@H+]1CC[C@@]2(CC(=O)N(c3cnn(C)c3)C2)C1 ZINC001235583964 806463915 /nfs/dbraw/zinc/46/39/15/806463915.db2.gz NRYLFOBPWVSBHZ-BXUZGUMPSA-N 2 2 277.372 0.196 20 0 CCADLP CC(C)C(=O)N1CC[C@@H]2C[N@H+](C[C@H](C)[NH3+])CC[C@H]21 ZINC001235594029 806467557 /nfs/dbraw/zinc/46/75/57/806467557.db2.gz OXXUZFKEYKGJCS-YNEHKIRRSA-N 2 2 253.390 0.912 20 0 CCADLP CC(C)C(=O)N1CC[C@@H]2C[N@@H+](C[C@H](C)[NH3+])CC[C@H]21 ZINC001235594029 806467565 /nfs/dbraw/zinc/46/75/65/806467565.db2.gz OXXUZFKEYKGJCS-YNEHKIRRSA-N 2 2 253.390 0.912 20 0 CCADLP CC(C)C(=O)N[C@@H]1COCCC12CC[NH+](CC[NH3+])CC2 ZINC001235596256 806469390 /nfs/dbraw/zinc/46/93/90/806469390.db2.gz HHKRBDPRPZGNRL-CYBMUJFWSA-N 2 2 283.416 0.588 20 0 CCADLP [NH3+]CC[N@H+]1C[C@@H]2C[C@@H](CN(C(=O)c3cscn3)C2)C1 ZINC001235661721 806487340 /nfs/dbraw/zinc/48/73/40/806487340.db2.gz WMUNDNZYRNBYKL-PHIMTYICSA-N 2 2 280.397 0.496 20 0 CCADLP [NH3+]CC[N@@H+]1C[C@@H]2C[C@@H](CN(C(=O)c3cscn3)C2)C1 ZINC001235661721 806487343 /nfs/dbraw/zinc/48/73/43/806487343.db2.gz WMUNDNZYRNBYKL-PHIMTYICSA-N 2 2 280.397 0.496 20 0 CCADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1CN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC001235911175 806515008 /nfs/dbraw/zinc/51/50/08/806515008.db2.gz OPMMDOPYNDSEMJ-GWOFURMSSA-N 2 2 265.323 0.848 20 0 CCADLP COc1cncc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1 ZINC001235994573 806525130 /nfs/dbraw/zinc/52/51/30/806525130.db2.gz YQBNDCIEAIPKLJ-ONXXMXGDSA-N 2 2 263.341 0.496 20 0 CCADLP COc1cncc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c1 ZINC001235994573 806525132 /nfs/dbraw/zinc/52/51/32/806525132.db2.gz YQBNDCIEAIPKLJ-ONXXMXGDSA-N 2 2 263.341 0.496 20 0 CCADLP C[C@H]([NH3+])C[NH+]1CCC(OCC(=O)N2CCCC2)CC1 ZINC001236847781 806614348 /nfs/dbraw/zinc/61/43/48/806614348.db2.gz MEWUFOVIPXMMDG-LBPRGKRZSA-N 2 2 269.389 0.437 20 0 CCADLP COC(=O)[C@@]1(C)CC[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001237057499 806635205 /nfs/dbraw/zinc/63/52/05/806635205.db2.gz NOAAWQOTKSLDAW-GWCFXTLKSA-N 2 2 256.346 0.596 20 0 CCADLP COC(=O)[C@@]1(C)CC[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001237057499 806635209 /nfs/dbraw/zinc/63/52/09/806635209.db2.gz NOAAWQOTKSLDAW-GWCFXTLKSA-N 2 2 256.346 0.596 20 0 CCADLP CCOCC[C@H](O)C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC001120573608 798871694 /nfs/dbraw/zinc/87/16/94/798871694.db2.gz RMUXUTHASGXIAN-OLZOCXBDSA-N 2 2 255.362 0.896 20 0 CCADLP C/C(=C/C(=O)N[C@@H]1C[NH+]2CCC1CC2)C[NH+]1CCOCC1 ZINC001120775022 798934503 /nfs/dbraw/zinc/93/45/03/798934503.db2.gz YPOZWMTWGZBNTE-VSKPTYQZSA-N 2 2 293.411 0.475 20 0 CCADLP [NH3+]CCS(=O)(=O)Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001237617273 806702733 /nfs/dbraw/zinc/70/27/33/806702733.db2.gz WCUFNOVJBRZHFJ-UHFFFAOYSA-N 2 2 280.353 0.632 20 0 CCADLP Cc1coc(C[N@@H+]2CCC(=O)N(CC[NH+](C)C)CC2)n1 ZINC001237650080 806705882 /nfs/dbraw/zinc/70/58/82/806705882.db2.gz RPBFUPLZKSZXJE-UHFFFAOYSA-N 2 2 280.372 0.579 20 0 CCADLP Cc1coc(C[N@H+]2CCC(=O)N(CC[NH+](C)C)CC2)n1 ZINC001237650080 806705885 /nfs/dbraw/zinc/70/58/85/806705885.db2.gz RPBFUPLZKSZXJE-UHFFFAOYSA-N 2 2 280.372 0.579 20 0 CCADLP COC(=O)CC[C@@H]([NH3+])C(=O)NCCCCn1cc[nH+]c1 ZINC001121988205 799115104 /nfs/dbraw/zinc/11/51/04/799115104.db2.gz HUBMIAKWBNEREB-LLVKDONJSA-N 2 2 282.344 0.060 20 0 CCADLP O=C(NC[C@@H]1C[NH2+]CCO1)c1cc2c[nH+]ccc2[nH]1 ZINC001122067602 799134251 /nfs/dbraw/zinc/13/42/51/799134251.db2.gz ILACNWKRBRWUHM-JTQLQIEISA-N 2 2 260.297 0.281 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC12CC(C1)C[NH2+]2 ZINC001122074542 799136606 /nfs/dbraw/zinc/13/66/06/799136606.db2.gz AREIGLFYVFUVEJ-JXRVJTEKSA-N 2 2 260.341 0.392 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@]1(C)CCC[NH2+]1 ZINC001122175256 799162492 /nfs/dbraw/zinc/16/24/92/799162492.db2.gz YEZXRXGWLBKSDG-OCCSQVGLSA-N 2 2 269.389 0.356 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)C2(CF)CCC2)CC1 ZINC001122239451 799177360 /nfs/dbraw/zinc/17/73/60/799177360.db2.gz NWZYTGZZWMNWLO-UHFFFAOYSA-N 2 2 257.353 0.666 20 0 CCADLP CC[N@@H+]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001137568835 799673928 /nfs/dbraw/zinc/67/39/28/799673928.db2.gz MBORGGXRQWMTNL-SNVBAGLBSA-N 2 2 250.346 0.813 20 0 CCADLP CC[N@H+]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001137568835 799673932 /nfs/dbraw/zinc/67/39/32/799673932.db2.gz MBORGGXRQWMTNL-SNVBAGLBSA-N 2 2 250.346 0.813 20 0 CCADLP [NH3+]C1(C(=O)N2CCC(C3CC[NH2+]CC3)CC2)CC[NH2+]CC1 ZINC001161208002 799890975 /nfs/dbraw/zinc/89/09/75/799890975.db2.gz HMMWWEKOVWLDDS-UHFFFAOYSA-N 3 2 294.443 0.306 20 0 CCADLP OC[C@@H]1C[N@H+](Cc2c[nH]c3cc[nH+]cc23)CC[C@H]1O ZINC001140801809 799943082 /nfs/dbraw/zinc/94/30/82/799943082.db2.gz GITDQRBUQLRRLC-SMDDNHRTSA-N 2 2 261.325 0.738 20 0 CCADLP OC[C@@H]1C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CC[C@H]1O ZINC001140801809 799943088 /nfs/dbraw/zinc/94/30/88/799943088.db2.gz GITDQRBUQLRRLC-SMDDNHRTSA-N 2 2 261.325 0.738 20 0 CCADLP C[NH+](C)CCCN1CC[NH+](Cc2cnco2)CC1 ZINC001140932202 799959888 /nfs/dbraw/zinc/95/98/88/799959888.db2.gz FGEWEBADZGRMHD-UHFFFAOYSA-N 2 2 252.362 0.744 20 0 CCADLP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cn4c(n3)COCC4)C[C@@H]2C1 ZINC001141529614 800016977 /nfs/dbraw/zinc/01/69/77/800016977.db2.gz RGQDJXSCQFVDMY-OLZOCXBDSA-N 2 2 276.384 0.797 20 0 CCADLP C[N@H+]1CC[C@@H]2C[NH+](Cc3cn4c(n3)COCC4)C[C@@H]2C1 ZINC001141529614 800016986 /nfs/dbraw/zinc/01/69/86/800016986.db2.gz RGQDJXSCQFVDMY-OLZOCXBDSA-N 2 2 276.384 0.797 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@H+](Cc3cn4c(n3)COCC4)C[C@@H]2C1 ZINC001141529614 800016996 /nfs/dbraw/zinc/01/69/96/800016996.db2.gz RGQDJXSCQFVDMY-OLZOCXBDSA-N 2 2 276.384 0.797 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cn4c(n3)COCC4)C[C@@H]2C1 ZINC001141529614 800017000 /nfs/dbraw/zinc/01/70/00/800017000.db2.gz RGQDJXSCQFVDMY-OLZOCXBDSA-N 2 2 276.384 0.797 20 0 CCADLP COCCCCC[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149571070 800276400 /nfs/dbraw/zinc/27/64/00/800276400.db2.gz NVHICOCALJFSDA-UHFFFAOYSA-N 2 2 296.415 0.875 20 0 CCADLP C[C@H]1CC[C@@H](C[NH2+]CCNC(=O)CCc2c[nH+]cn2C)O1 ZINC001149565125 800277247 /nfs/dbraw/zinc/27/72/47/800277247.db2.gz ZLZCUEGUPQXTBC-JSGCOSHPSA-N 2 2 294.399 0.626 20 0 CCADLP Cc1nocc1C[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149559605 800277318 /nfs/dbraw/zinc/27/73/18/800277318.db2.gz USLGDIHSARQZDF-UHFFFAOYSA-N 2 2 291.355 0.555 20 0 CCADLP CC(C)c1nnc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001151049801 800389080 /nfs/dbraw/zinc/38/90/80/800389080.db2.gz ZIAHXCXNGVIUNP-LLVKDONJSA-N 2 2 295.387 0.351 20 0 CCADLP CC(C)c1nnc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001151049801 800389087 /nfs/dbraw/zinc/38/90/87/800389087.db2.gz ZIAHXCXNGVIUNP-LLVKDONJSA-N 2 2 295.387 0.351 20 0 CCADLP CCCc1noc(C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001151049793 800389315 /nfs/dbraw/zinc/38/93/15/800389315.db2.gz ZAPKASMRYHYMEN-NSHDSACASA-N 2 2 295.387 0.180 20 0 CCADLP CCCc1noc(C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001151049793 800389323 /nfs/dbraw/zinc/38/93/23/800389323.db2.gz ZAPKASMRYHYMEN-NSHDSACASA-N 2 2 295.387 0.180 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[NH2+]Cc1nccnc1C ZINC001151122965 800402276 /nfs/dbraw/zinc/40/22/76/800402276.db2.gz XTXGAUAVNBWPHI-UHFFFAOYSA-N 2 2 288.355 0.196 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH2+]Cc1csnn1 ZINC001152137701 800493849 /nfs/dbraw/zinc/49/38/49/800493849.db2.gz OBANOYOFPFSYNI-PHIMTYICSA-N 2 2 297.428 0.617 20 0 CCADLP Cc1ncccc1C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153487783 800634158 /nfs/dbraw/zinc/63/41/58/800634158.db2.gz OXIOTFOZSDWFQL-UHFFFAOYSA-N 2 2 273.340 0.493 20 0 CCADLP Cc1ncsc1CC[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153495905 800634937 /nfs/dbraw/zinc/63/49/37/800634937.db2.gz QWCDFTMMQCQTGP-UHFFFAOYSA-N 2 2 293.396 0.597 20 0 CCADLP CC[N@H+](C[C@H](C)O)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001153760608 800661102 /nfs/dbraw/zinc/66/11/02/800661102.db2.gz RTZZNOBVZSPICG-NEPJUHHUSA-N 2 2 282.388 0.550 20 0 CCADLP CC[N@@H+](C[C@H](C)O)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001153760608 800661104 /nfs/dbraw/zinc/66/11/04/800661104.db2.gz RTZZNOBVZSPICG-NEPJUHHUSA-N 2 2 282.388 0.550 20 0 CCADLP CC[N@H+](C[C@H](C)O)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001153760608 800661105 /nfs/dbraw/zinc/66/11/05/800661105.db2.gz RTZZNOBVZSPICG-NEPJUHHUSA-N 2 2 282.388 0.550 20 0 CCADLP CC[N@@H+](C[C@H](C)O)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001153760608 800661106 /nfs/dbraw/zinc/66/11/06/800661106.db2.gz RTZZNOBVZSPICG-NEPJUHHUSA-N 2 2 282.388 0.550 20 0 CCADLP CC[N@H+](C[C@@H](C)O)[C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001154422326 800779288 /nfs/dbraw/zinc/77/92/88/800779288.db2.gz LZNNXNYBUHKHQX-CHWSQXEVSA-N 2 2 296.415 0.560 20 0 CCADLP CC[N@@H+](C[C@@H](C)O)[C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001154422326 800779291 /nfs/dbraw/zinc/77/92/91/800779291.db2.gz LZNNXNYBUHKHQX-CHWSQXEVSA-N 2 2 296.415 0.560 20 0 CCADLP C[NH+]1CCN(c2cccc(N3CCn4nncc4C3)[nH+]2)CC1 ZINC001154822753 800851247 /nfs/dbraw/zinc/85/12/47/800851247.db2.gz SXQVPJMABLOTES-UHFFFAOYSA-N 2 2 299.382 0.445 20 0 CCADLP CSc1nc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)cc(C)[nH+]1 ZINC001155501939 800992784 /nfs/dbraw/zinc/99/27/84/800992784.db2.gz AMWDNICTSQGWPU-OPRDCNLKSA-N 2 2 266.370 0.906 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])C[NH2+]1 ZINC001246175774 807176622 /nfs/dbraw/zinc/17/66/22/807176622.db2.gz MVRJHMZABYBHGL-HKUMRIAESA-N 2 2 269.389 0.530 20 0 CCADLP COc1cncnc1NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001156182481 801123299 /nfs/dbraw/zinc/12/32/99/801123299.db2.gz VTOBISNOPCFZGO-UHFFFAOYSA-N 2 2 279.388 0.923 20 0 CCADLP CC[N@H+](C[C@H](C)OC)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156383547 801159509 /nfs/dbraw/zinc/15/95/09/801159509.db2.gz NYHQDTLQLYKACT-OLZOCXBDSA-N 2 2 296.415 0.824 20 0 CCADLP CC[N@@H+](C[C@H](C)OC)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156383547 801159513 /nfs/dbraw/zinc/15/95/13/801159513.db2.gz NYHQDTLQLYKACT-OLZOCXBDSA-N 2 2 296.415 0.824 20 0 CCADLP CC[N@H+](CCOC)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001156676406 801209844 /nfs/dbraw/zinc/20/98/44/801209844.db2.gz ATLJYWYQQAMPAU-CYBMUJFWSA-N 2 2 296.415 0.826 20 0 CCADLP CC[N@@H+](CCOC)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001156676406 801209846 /nfs/dbraw/zinc/20/98/46/801209846.db2.gz ATLJYWYQQAMPAU-CYBMUJFWSA-N 2 2 296.415 0.826 20 0 CCADLP C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@]1(C)CC(F)(F)C[NH2+]1 ZINC001157843058 801499144 /nfs/dbraw/zinc/49/91/44/801499144.db2.gz ORIPMWGVEGGOQV-FOGDFJRCSA-N 2 2 275.343 0.960 20 0 CCADLP COc1ccc(C)nc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001157915144 801518830 /nfs/dbraw/zinc/51/88/30/801518830.db2.gz RKUMFLUILHTPIW-UHFFFAOYSA-N 2 2 263.345 0.993 20 0 CCADLP Cc1nc2ccc(NC(=[NH2+])N3CC[NH+](C)CC3)nc2n1C ZINC001157915254 801519957 /nfs/dbraw/zinc/51/99/57/801519957.db2.gz NJTMARHDVBSUQK-UHFFFAOYSA-N 2 2 287.371 0.871 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(Cl)c(N)n2)CC1 ZINC001157916438 801520163 /nfs/dbraw/zinc/52/01/63/801520163.db2.gz YUMYBWMDNADILG-UHFFFAOYSA-N 2 2 268.752 0.911 20 0 CCADLP C[C@@H]1CN(c2cc(N3CCOCC3)[nH+]cn2)C[C@H](C)[NH2+]1 ZINC001158172813 801583441 /nfs/dbraw/zinc/58/34/41/801583441.db2.gz NFVXIDBVRYOUDV-TXEJJXNPSA-N 2 2 277.372 0.500 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc(-c2ncc[nH]2)ccn1 ZINC001158206366 801593774 /nfs/dbraw/zinc/59/37/74/801593774.db2.gz KYXCAYMOIXVRRL-LLVKDONJSA-N 2 2 284.323 0.520 20 0 CCADLP CSc1cccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158206210 801593856 /nfs/dbraw/zinc/59/38/56/801593856.db2.gz CYROOBWGLTWSFG-SECBINFHSA-N 2 2 264.354 0.851 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc(-c2ccccn2)ncn1 ZINC001158209288 801595771 /nfs/dbraw/zinc/59/57/71/801595771.db2.gz PFHMNWXEEXYOSC-LLVKDONJSA-N 2 2 296.334 0.586 20 0 CCADLP [NH3+][C@H]1CC[N@@H+](C2CCN(c3ncnc4c3CCC4)CC2)C1 ZINC001158259106 801609115 /nfs/dbraw/zinc/60/91/15/801609115.db2.gz NUZGSQIUNLWPGS-LBPRGKRZSA-N 2 2 287.411 0.967 20 0 CCADLP [NH3+][C@H]1CC[N@H+](C2CCN(c3ncnc4c3CCC4)CC2)C1 ZINC001158259106 801609117 /nfs/dbraw/zinc/60/91/17/801609117.db2.gz NUZGSQIUNLWPGS-LBPRGKRZSA-N 2 2 287.411 0.967 20 0 CCADLP [NH3+][C@H]1CC[N@@H+](C2CCN(c3ccc(Cl)c[n+]3[O-])CC2)C1 ZINC001158270529 801610623 /nfs/dbraw/zinc/61/06/23/801610623.db2.gz UOJFULDZKVFQSU-LBPRGKRZSA-N 2 2 296.802 0.975 20 0 CCADLP [NH3+][C@H]1CC[N@H+](C2CCN(c3ccc(Cl)c[n+]3[O-])CC2)C1 ZINC001158270529 801610626 /nfs/dbraw/zinc/61/06/26/801610626.db2.gz UOJFULDZKVFQSU-LBPRGKRZSA-N 2 2 296.802 0.975 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001158629675 801673463 /nfs/dbraw/zinc/67/34/63/801673463.db2.gz HWRINFZZUPTIBM-TUAOUCFPSA-N 2 2 271.405 0.680 20 0 CCADLP COC(=O)[C@]12CC[NH2+][C@H]1CN(c1cccc(N)[nH+]1)CC2 ZINC001158641144 801677057 /nfs/dbraw/zinc/67/70/57/801677057.db2.gz ZAXDUBIULQJVDB-HZMBPMFUSA-N 2 2 276.340 0.395 20 0 CCADLP CN(C)c1cccc(NC[C@@H]2COCC[N@@H+]2C)[nH+]1 ZINC001158699292 801684332 /nfs/dbraw/zinc/68/43/32/801684332.db2.gz BCMIRAFYZJHWKP-LLVKDONJSA-N 2 2 250.346 0.890 20 0 CCADLP CN(C)c1cccc(NC[C@@H]2COCC[N@H+]2C)[nH+]1 ZINC001158699292 801684335 /nfs/dbraw/zinc/68/43/35/801684335.db2.gz BCMIRAFYZJHWKP-LLVKDONJSA-N 2 2 250.346 0.890 20 0 CCADLP C[N@@H+]1CCO[C@H]2CN(C(=O)CCCCCCC[NH3+])C[C@H]21 ZINC001158803872 801707640 /nfs/dbraw/zinc/70/76/40/801707640.db2.gz JDNCBSKTADRUMZ-KGLIPLIRSA-N 2 2 283.416 0.827 20 0 CCADLP C[N@H+]1CCO[C@H]2CN(C(=O)CCCCCCC[NH3+])C[C@H]21 ZINC001158803872 801707644 /nfs/dbraw/zinc/70/76/44/801707644.db2.gz JDNCBSKTADRUMZ-KGLIPLIRSA-N 2 2 283.416 0.827 20 0 CCADLP C[C@H]1C[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)CC[C@H]2O1 ZINC001158855073 801713698 /nfs/dbraw/zinc/71/36/98/801713698.db2.gz BQDKZPYSIOOVHE-XRRVDJEJSA-N 2 2 278.356 0.305 20 0 CCADLP C[N@H+](CCCO)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001158955913 801728013 /nfs/dbraw/zinc/72/80/13/801728013.db2.gz ZCDMPHGMXKHWOJ-CQSZACIVSA-N 2 2 294.399 0.578 20 0 CCADLP C[N@@H+](CCCO)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001158955913 801728016 /nfs/dbraw/zinc/72/80/16/801728016.db2.gz ZCDMPHGMXKHWOJ-CQSZACIVSA-N 2 2 294.399 0.578 20 0 CCADLP CC=C(NC=[NH2+])c1cnn(CC[NH+]2CCOCC2)c1 ZINC001240539957 806944972 /nfs/dbraw/zinc/94/49/72/806944972.db2.gz DKFZGPDLSPXPKW-SILLCRNTSA-N 2 2 263.345 0.773 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@@H]1COCc1ccccc1 ZINC001160526655 801961514 /nfs/dbraw/zinc/96/15/14/801961514.db2.gz LNCVCMAOGZCKDM-ILXRZTDVSA-N 2 2 289.379 0.351 20 0 CCADLP CN(CCc1cccs1)C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001160531417 801962688 /nfs/dbraw/zinc/96/26/88/801962688.db2.gz PHZFUCOAFDBBFN-KOLCDFICSA-N 2 2 253.371 0.438 20 0 CCADLP CC[NH+]1CCC(N(C)C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC1 ZINC001160537325 801965690 /nfs/dbraw/zinc/96/56/90/801965690.db2.gz IWXBAJAFBQQNSO-NFAWXSAZSA-N 3 2 280.416 0.151 20 0 CCADLP CN(C[C@@H]1CCC[NH2+]C1)C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001160697998 802004698 /nfs/dbraw/zinc/00/46/98/802004698.db2.gz DQYRJPPHRRKIKG-IUODEOHRSA-N 3 2 290.411 0.717 20 0 CCADLP NC1(C(=O)N2CCC(n3cc[nH+]c3)CC2)CC[NH2+]CC1 ZINC001160726827 802012277 /nfs/dbraw/zinc/01/22/77/802012277.db2.gz XGWQFRLRUKJAFE-UHFFFAOYSA-N 2 2 277.372 0.128 20 0 CCADLP O=C([C@@H]1CC[NH2+]C[C@@H]1F)N1CCc2[nH+]ccn2CC1 ZINC001160760438 802017082 /nfs/dbraw/zinc/01/70/82/802017082.db2.gz MDGUBTABFIDEFQ-MNOVXSKESA-N 2 2 266.320 0.215 20 0 CCADLP CCCN(CCC)C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001160856602 802033074 /nfs/dbraw/zinc/03/30/74/802033074.db2.gz RHCSZUOJLARGMC-LBPRGKRZSA-N 2 2 252.362 0.939 20 0 CCADLP C[N@@H+]1CCC[C@H]2CN(C(=O)c3cnc(C[NH3+])s3)C[C@H]21 ZINC001161084973 802086214 /nfs/dbraw/zinc/08/62/14/802086214.db2.gz LNJDSWSEOZJVMM-VHSXEESVSA-N 2 2 280.397 0.768 20 0 CCADLP C[N@H+]1CCC[C@H]2CN(C(=O)c3cnc(C[NH3+])s3)C[C@H]21 ZINC001161084973 802086219 /nfs/dbraw/zinc/08/62/19/802086219.db2.gz LNJDSWSEOZJVMM-VHSXEESVSA-N 2 2 280.397 0.768 20 0 CCADLP COC(=O)[C@@H]1CCCN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)[C@@H]1C ZINC001161117378 802095645 /nfs/dbraw/zinc/09/56/45/802095645.db2.gz ISHAKKZUQUPNKT-YUSALJHKSA-N 2 2 294.355 0.080 20 0 CCADLP O=C(N1CCC(C2CC[NH2+]CC2)CC1)C1(F)C[NH2+]C1 ZINC001161205517 802108587 /nfs/dbraw/zinc/10/85/87/802108587.db2.gz NUHFYHHACRRQRE-UHFFFAOYSA-N 2 2 269.364 0.536 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]([NH3+])C1CCCCC1 ZINC001161238619 802113619 /nfs/dbraw/zinc/11/36/19/802113619.db2.gz UURAVCGLPBNAOU-STQMWFEESA-N 2 2 297.399 0.210 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]([NH3+])C1CCCCC1 ZINC001161238619 802113622 /nfs/dbraw/zinc/11/36/22/802113622.db2.gz UURAVCGLPBNAOU-STQMWFEESA-N 2 2 297.399 0.210 20 0 CCADLP C[C@@H]1CN(C(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)[C@@H](C)CO1 ZINC001161235854 802113906 /nfs/dbraw/zinc/11/39/06/802113906.db2.gz ZXCGXCLHTOBCFH-WDMOLILDSA-N 2 2 277.368 0.895 20 0 CCADLP COC[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001161315961 802125443 /nfs/dbraw/zinc/12/54/43/802125443.db2.gz SSDXGJCTGRJQBQ-CHWSQXEVSA-N 2 2 294.399 0.576 20 0 CCADLP [NH3+]C[C@H](O)CC(=O)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001161470210 802160277 /nfs/dbraw/zinc/16/02/77/802160277.db2.gz CVZNCJVNFAIMHK-MNOVXSKESA-N 2 2 291.342 0.028 20 0 CCADLP O=C([C@H]1C[NH2+]CC(F)(F)C1)N1CC[NH2+]C2(CC2)C1 ZINC001161544610 802173772 /nfs/dbraw/zinc/17/37/72/802173772.db2.gz BUPJUWZNHDFHOA-SECBINFHSA-N 2 2 259.300 0.196 20 0 CCADLP C[C@@]1(C(=O)N2CC[NH2+]C3(CC3)C2)CC(F)(F)C[NH2+]1 ZINC001161544987 802175935 /nfs/dbraw/zinc/17/59/35/802175935.db2.gz KIAIRZHDYKRDPT-JTQLQIEISA-N 2 2 259.300 0.338 20 0 CCADLP O[C@H](C[NH2+]CCOc1cc[nH+]cc1)C(F)(F)F ZINC001251001481 807633908 /nfs/dbraw/zinc/63/39/08/807633908.db2.gz JLXKWLDVRRDNEG-SECBINFHSA-N 2 2 250.220 0.973 20 0 CCADLP c1nn(C2C[NH2+]C2)cc1-c1ccc(C[NH+]2CCOCC2)cn1 ZINC001241590132 806973586 /nfs/dbraw/zinc/97/35/86/806973586.db2.gz YXHVMLMPSKUUPI-UHFFFAOYSA-N 2 2 299.378 0.922 20 0 CCADLP O=S1(=O)CC[C@@H](Nc2[nH+]cccc2N2CC[NH2+]CC2)C1 ZINC001162495368 802351204 /nfs/dbraw/zinc/35/12/04/802351204.db2.gz UGUHDFGJCNFPMN-LLVKDONJSA-N 2 2 296.396 0.090 20 0 CCADLP C[NH+]1CCN(c2cc[nH+]cc2NS(=O)(=O)C2CC2)CC1 ZINC001259271200 808742868 /nfs/dbraw/zinc/74/28/68/808742868.db2.gz FMKZWXBLXFDQKV-UHFFFAOYSA-N 2 2 296.396 0.738 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCC[NH2+]Cc1ccon1 ZINC001163588654 802572999 /nfs/dbraw/zinc/57/29/99/802572999.db2.gz LXDBFSYFCMUDKZ-UHFFFAOYSA-N 2 2 277.328 0.557 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCC[NH2+]CC[C@@H]1CCOC1 ZINC001163593232 802573858 /nfs/dbraw/zinc/57/38/58/802573858.db2.gz GCARXFHOVVKWBM-CQSZACIVSA-N 2 2 294.399 0.796 20 0 CCADLP Cc1nocc1C[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163593388 802574862 /nfs/dbraw/zinc/57/48/62/802574862.db2.gz JCQMINLPWKQUAH-UHFFFAOYSA-N 2 2 291.355 0.866 20 0 CCADLP [NH3+]CCN(CCO)c1cc[nH+]c(OCc2ccccn2)c1 ZINC001163836348 802622813 /nfs/dbraw/zinc/62/28/13/802622813.db2.gz SWOCSBJAUDZUEV-UHFFFAOYSA-N 2 2 288.351 0.813 20 0 CCADLP COc1nccc(NCC2([NH+](C)C)CC[NH+](C)CC2)n1 ZINC001164206762 802687225 /nfs/dbraw/zinc/68/72/25/802687225.db2.gz BPRKFWJTLFRJLH-UHFFFAOYSA-N 2 2 279.388 0.923 20 0 CCADLP CCc1cc(N2CC([NH2+][C@@H]3CCOC3)C2)nc(C)[nH+]1 ZINC001164234868 802693563 /nfs/dbraw/zinc/69/35/63/802693563.db2.gz YUCSBPPCZBOVOE-GFCCVEGCSA-N 2 2 262.357 0.915 20 0 CCADLP CCc1cc(N2CC([NH2+][C@H]3CCOC3)C2)nc(C)[nH+]1 ZINC001164234869 802693584 /nfs/dbraw/zinc/69/35/84/802693584.db2.gz YUCSBPPCZBOVOE-LBPRGKRZSA-N 2 2 262.357 0.915 20 0 CCADLP Cc1cc(N(C)S(=O)(=O)CC[NH3+])c2[nH+]ccn2c1 ZINC001164296633 802711584 /nfs/dbraw/zinc/71/15/84/802711584.db2.gz IKFWZAXAXNFOHV-UHFFFAOYSA-N 2 2 268.342 0.367 20 0 CCADLP Cc1nc(-n2cncn2)cc(N2C[C@@H](C[NH3+])CC[C@H]2C)[nH+]1 ZINC001164474653 802746273 /nfs/dbraw/zinc/74/62/73/802746273.db2.gz SUCNWUSITIDWLQ-ZYHUDNBSSA-N 2 2 287.371 0.929 20 0 CCADLP COCCC[NH+]1CCN(c2cc[nH+]c(N)n2)CC1 ZINC001165096173 802780336 /nfs/dbraw/zinc/78/03/36/802780336.db2.gz FDDDIOSAUFJDDC-UHFFFAOYSA-N 2 2 251.334 0.217 20 0 CCADLP Cc1nc(-n2ncc3c2CC[NH2+]C3)cc(N(C)C)[nH+]1 ZINC001165218473 802797222 /nfs/dbraw/zinc/79/72/22/802797222.db2.gz MEHSVXTUOSGPAK-UHFFFAOYSA-N 2 2 258.329 0.682 20 0 CCADLP COc1cc(C)c[nH+]c1N1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001165255651 802806263 /nfs/dbraw/zinc/80/62/63/802806263.db2.gz DIINVFSHXZRYFI-UHFFFAOYSA-N 2 2 290.367 0.457 20 0 CCADLP Cc1[nH+]c2c(n1-c1nccc3c1NC(=O)CO3)CC[NH2+]CC2 ZINC001165353673 802825908 /nfs/dbraw/zinc/82/59/08/802825908.db2.gz UVFMGXURBQJCKP-UHFFFAOYSA-N 2 2 299.334 0.595 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCCC1(C[NH2+]CCCO)CC1 ZINC001165373353 802829527 /nfs/dbraw/zinc/82/95/27/802829527.db2.gz IHAIUZRZEKEZSN-UHFFFAOYSA-N 2 2 294.399 0.601 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCCC1(C[NH2+]CCCO)CC1 ZINC001165373353 802829532 /nfs/dbraw/zinc/82/95/32/802829532.db2.gz IHAIUZRZEKEZSN-UHFFFAOYSA-N 2 2 294.399 0.601 20 0 CCADLP Cc1nc([C@H](C)[NH2+]CCCNC(=O)CC[NH+](C)C)no1 ZINC001165781551 802865632 /nfs/dbraw/zinc/86/56/32/802865632.db2.gz VIVAZDCTRNQACE-JTQLQIEISA-N 2 2 283.376 0.487 20 0 CCADLP Cc1cc(-n2ccnc2CC[NH3+])c[nH+]c1N1CCOCC1 ZINC001166350844 802900935 /nfs/dbraw/zinc/90/09/35/802900935.db2.gz FBDQFGJLEHURON-UHFFFAOYSA-N 2 2 287.367 0.914 20 0 CCADLP CCOCC[NH2+]CCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001166402987 802904583 /nfs/dbraw/zinc/90/45/83/802904583.db2.gz SZMFGUOIXGOMCZ-LBPRGKRZSA-N 2 2 294.399 0.962 20 0 CCADLP [NH3+]C[C@H]1CN(CC2=CS[C@@H]([NH3+])N2)CCC1(F)F ZINC001205735566 803169288 /nfs/dbraw/zinc/16/92/88/803169288.db2.gz OBQXYEHXVZYQOX-CBAPKCEASA-N 2 2 264.345 0.322 20 0 CCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001205868953 803181339 /nfs/dbraw/zinc/18/13/39/803181339.db2.gz YMMIUQCQDCCPEW-XCBNKYQSSA-N 2 2 252.318 0.365 20 0 CCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001205868953 803181343 /nfs/dbraw/zinc/18/13/43/803181343.db2.gz YMMIUQCQDCCPEW-XCBNKYQSSA-N 2 2 252.318 0.365 20 0 CCADLP Cc1cccc2c(C[N@@H+]3CC[C@@H]([NH3+])[C@H](O)C3)[nH]nc21 ZINC001205952883 803190060 /nfs/dbraw/zinc/19/00/60/803190060.db2.gz DVQXZHPQEWJRTG-DGCLKSJQSA-N 2 2 260.341 0.765 20 0 CCADLP Cc1cccc2c(C[N@H+]3CC[C@@H]([NH3+])[C@H](O)C3)[nH]nc21 ZINC001205952883 803190065 /nfs/dbraw/zinc/19/00/65/803190065.db2.gz DVQXZHPQEWJRTG-DGCLKSJQSA-N 2 2 260.341 0.765 20 0 CCADLP CCCCc1[nH]c(CN2CC[C@@H]([NH3+])[C@H](O)C2)c[nH+]1 ZINC001205959201 803191822 /nfs/dbraw/zinc/19/18/22/803191822.db2.gz LBLHBPQRYPCTFF-VXGBXAGGSA-N 2 2 252.362 0.646 20 0 CCADLP CCCCc1[nH]cc(CN2CC[C@@H]([NH3+])[C@H](O)C2)[nH+]1 ZINC001205959201 803191827 /nfs/dbraw/zinc/19/18/27/803191827.db2.gz LBLHBPQRYPCTFF-VXGBXAGGSA-N 2 2 252.362 0.646 20 0 CCADLP COc1cccc(OC)c1C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206464282 803246175 /nfs/dbraw/zinc/24/61/75/803246175.db2.gz LNYPJHMIHNRCPP-CMPLNLGQSA-N 2 2 266.341 0.455 20 0 CCADLP COc1cccc(OC)c1C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206464282 803246178 /nfs/dbraw/zinc/24/61/78/803246178.db2.gz LNYPJHMIHNRCPP-CMPLNLGQSA-N 2 2 266.341 0.455 20 0 CCADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](CC(OC)OC)CC2 ZINC001207250893 803371543 /nfs/dbraw/zinc/37/15/43/803371543.db2.gz QBQALQVAIADHMN-UHFFFAOYSA-N 2 2 299.415 0.282 20 0 CCADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](CC(OC)OC)CC2 ZINC001207250893 803371551 /nfs/dbraw/zinc/37/15/51/803371551.db2.gz QBQALQVAIADHMN-UHFFFAOYSA-N 2 2 299.415 0.282 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208252762 803499869 /nfs/dbraw/zinc/49/98/69/803499869.db2.gz VJPHVGKMBRIMLH-JHJVBQTASA-N 2 2 280.372 0.091 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208252762 803499872 /nfs/dbraw/zinc/49/98/72/803499872.db2.gz VJPHVGKMBRIMLH-JHJVBQTASA-N 2 2 280.372 0.091 20 0 CCADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCO[C@]3(CCOC3)C2)C1 ZINC001208608475 803528330 /nfs/dbraw/zinc/52/83/30/803528330.db2.gz TYLOXUINHCPWAG-ZIAGYGMSSA-N 2 2 254.374 0.820 20 0 CCADLP C[N@H+]1CCC[C@@H](C[NH+]2CCO[C@]3(CCOC3)C2)C1 ZINC001208608475 803528331 /nfs/dbraw/zinc/52/83/31/803528331.db2.gz TYLOXUINHCPWAG-ZIAGYGMSSA-N 2 2 254.374 0.820 20 0 CCADLP C[NH+]1CCC[C@@H](C[N@@H+]2CCO[C@]3(CCOC3)C2)C1 ZINC001208608475 803528334 /nfs/dbraw/zinc/52/83/34/803528334.db2.gz TYLOXUINHCPWAG-ZIAGYGMSSA-N 2 2 254.374 0.820 20 0 CCADLP C[NH+]1CCC[C@@H](C[N@H+]2CCO[C@]3(CCOC3)C2)C1 ZINC001208608475 803528338 /nfs/dbraw/zinc/52/83/38/803528338.db2.gz TYLOXUINHCPWAG-ZIAGYGMSSA-N 2 2 254.374 0.820 20 0 CCADLP COCC[N@@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001209211761 803582061 /nfs/dbraw/zinc/58/20/61/803582061.db2.gz ZRANTVIJPPLXSH-UHFFFAOYSA-N 2 2 280.372 0.157 20 0 CCADLP COCC[N@H+]1CCCn2c(=O)cc(C[NH+](C)C)nc2C1 ZINC001209211761 803582064 /nfs/dbraw/zinc/58/20/64/803582064.db2.gz ZRANTVIJPPLXSH-UHFFFAOYSA-N 2 2 280.372 0.157 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](Cc2cncs2)CCC1=O ZINC001209549905 803610705 /nfs/dbraw/zinc/61/07/05/803610705.db2.gz QPAWEOXNGCPTNP-UHFFFAOYSA-N 2 2 282.413 0.739 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](Cc2cncs2)CCC1=O ZINC001209549905 803610711 /nfs/dbraw/zinc/61/07/11/803610711.db2.gz QPAWEOXNGCPTNP-UHFFFAOYSA-N 2 2 282.413 0.739 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCCN(Cc2c[nH+]ccc2N)C1 ZINC001209732556 803626114 /nfs/dbraw/zinc/62/61/14/803626114.db2.gz ITTWFFCQHGPVIO-CYBMUJFWSA-N 2 2 291.399 0.136 20 0 CCADLP Cn1cc[nH+]c1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210262056 803643850 /nfs/dbraw/zinc/64/38/50/803643850.db2.gz PIJAGEJYNBPYCY-UHFFFAOYSA-N 3 2 258.329 0.968 20 0 CCADLP COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001214894398 803764705 /nfs/dbraw/zinc/76/47/05/803764705.db2.gz KVKQSMDUWHPHLB-HKUMRIAESA-N 2 2 292.383 0.596 20 0 CCADLP COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001214894398 803764708 /nfs/dbraw/zinc/76/47/08/803764708.db2.gz KVKQSMDUWHPHLB-HKUMRIAESA-N 2 2 292.383 0.596 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001217005307 803861234 /nfs/dbraw/zinc/86/12/34/803861234.db2.gz HPWPEANSXITGKZ-JHJVBQTASA-N 2 2 280.372 0.355 20 0 CCADLP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001216993601 803861651 /nfs/dbraw/zinc/86/16/51/803861651.db2.gz LWGRIRHSVHDGGG-HZSPNIEDSA-N 2 2 294.399 0.481 20 0 CCADLP COCCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001217010739 803863912 /nfs/dbraw/zinc/86/39/12/803863912.db2.gz VCUVAZRPBJFZJZ-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP COC(=O)c1ccc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)cn1 ZINC001218510733 803977182 /nfs/dbraw/zinc/97/71/82/803977182.db2.gz ZEYOPPQCOQSBBV-RULNRJAQSA-N 2 2 290.323 0.029 20 0 CCADLP COc1ccc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)c(C)n1 ZINC001218538943 803994851 /nfs/dbraw/zinc/99/48/51/803994851.db2.gz VBYAEXBATXGFLR-JTQLQIEISA-N 2 2 275.312 0.630 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cc(C(F)(F)F)no2)C1 ZINC001218559821 804004897 /nfs/dbraw/zinc/00/48/97/804004897.db2.gz LKCYWBWXOHRFBC-UHNVWZDZSA-N 2 2 264.207 0.321 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cc(C(F)(F)F)no1 ZINC001218559273 804005583 /nfs/dbraw/zinc/00/55/83/804005583.db2.gz HLIIQCLUSFDEMP-BYPYZUCNSA-N 2 2 252.196 0.308 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cc(C(F)(F)F)no1 ZINC001218561169 804007602 /nfs/dbraw/zinc/00/76/02/804007602.db2.gz XVMGWJOKJJOACX-ZCFIWIBFSA-N 2 2 289.217 0.925 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1cc(OCC2CC2)n[nH]1 ZINC001218578787 804018645 /nfs/dbraw/zinc/01/86/45/804018645.db2.gz PPMHJPPWMGIPDA-UHFFFAOYSA-N 2 2 293.371 0.479 20 0 CCADLP Cc1ncnc(C)c1NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001218639198 804053189 /nfs/dbraw/zinc/05/31/89/804053189.db2.gz YUKAMAFNXKLJOV-NSHDSACASA-N 2 2 274.328 0.335 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cc(Cl)c[nH]c2=O)C1 ZINC001218643337 804056280 /nfs/dbraw/zinc/05/62/80/804056280.db2.gz UPGLJODPYSXHCB-RQJHMYQMSA-N 2 2 256.693 0.068 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cc(Cl)c[nH]c1=O ZINC001218642730 804057027 /nfs/dbraw/zinc/05/70/27/804057027.db2.gz ZRULZYSLXBLOPU-MRVPVSSYSA-N 2 2 281.703 0.672 20 0 CCADLP [NH3+]C1(C(=O)Nc2cc([C@H]3CCC[NH2+]3)no2)CC[NH2+]CC1 ZINC001218710790 804092941 /nfs/dbraw/zinc/09/29/41/804092941.db2.gz HXEASMDULFRMCE-SECBINFHSA-N 3 2 279.344 0.119 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cnc(C2CC2)s1 ZINC001218715246 804093801 /nfs/dbraw/zinc/09/38/01/804093801.db2.gz RBYBHYIRIRJUSU-YUMQZZPRSA-N 2 2 252.343 0.506 20 0 CCADLP CC(C)Cn1cnc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)c1 ZINC001218748675 804107717 /nfs/dbraw/zinc/10/77/17/804107717.db2.gz PLRPUKNRTIMLKV-NSHDSACASA-N 2 2 276.344 0.771 20 0 CCADLP [NH3+]C1(C(=O)Nc2cc3ccccn3n2)CC[NH2+]CC1 ZINC001218755133 804111630 /nfs/dbraw/zinc/11/16/30/804111630.db2.gz GUUMYQIOHHFWIH-UHFFFAOYSA-N 2 2 259.313 0.354 20 0 CCADLP COc1nc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc2ccccc21 ZINC001218761647 804114502 /nfs/dbraw/zinc/11/45/02/804114502.db2.gz XIKUDMFAWVKWKU-NSHDSACASA-N 2 2 274.324 0.858 20 0 CCADLP Cn1cc2cccc(NC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)c2n1 ZINC001218889701 804149863 /nfs/dbraw/zinc/14/98/63/804149863.db2.gz VHHSXFKDNQIUJV-KOLCDFICSA-N 2 2 259.313 0.201 20 0 CCADLP COC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc(C(C)(C)C[NH3+])cc1 ZINC001218899381 804150845 /nfs/dbraw/zinc/15/08/45/804150845.db2.gz ZRFLTKMABFMILX-LBPRGKRZSA-N 2 2 293.367 0.752 20 0 CCADLP Cc1cccc(N)c1NC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001218912661 804154344 /nfs/dbraw/zinc/15/43/44/804154344.db2.gz LSLMYBQIHQKISE-CYBMUJFWSA-N 2 2 291.399 0.266 20 0 CCADLP Cc1ccc(C(N)=O)cc1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218914479 804156565 /nfs/dbraw/zinc/15/65/65/804156565.db2.gz XGYWNAKEPHAXAO-HFAKWTLXSA-N 2 2 288.351 0.254 20 0 CCADLP CC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c(F)c1 ZINC001218945826 804164012 /nfs/dbraw/zinc/16/40/12/804164012.db2.gz NVYHPGBDLAGVGA-SKDRFNHKSA-N 2 2 265.288 0.656 20 0 CCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)Nc2ccc(C3([NH3+])CCC3)cc2)C1 ZINC001218974301 804170865 /nfs/dbraw/zinc/17/08/65/804170865.db2.gz UIAKHQMOAXJUCT-AAEUAGOBSA-N 3 2 274.368 0.652 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(-c2ccncn2)cc1 ZINC001218976977 804171841 /nfs/dbraw/zinc/17/18/41/804171841.db2.gz FTWISSYCGYNKLH-STQMWFEESA-N 2 2 283.335 0.629 20 0 CCADLP CN(C)C(=O)Oc1cccc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c1 ZINC001219326263 804271841 /nfs/dbraw/zinc/27/18/41/804271841.db2.gz OVNZGSLYMRHMTA-SKDRFNHKSA-N 2 2 292.339 0.375 20 0 CCADLP CN1Cc2cc(NC(=O)[C@@H]([NH3+])CC[NH3+])ccc2N(C)C1=O ZINC001219393624 804297440 /nfs/dbraw/zinc/29/74/40/804297440.db2.gz PGIFMUAYCHSRQJ-NSHDSACASA-N 2 2 291.355 0.303 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]Cc1cccnc1 ZINC000312319682 804322074 /nfs/dbraw/zinc/32/20/74/804322074.db2.gz GDHMUTBSQKAJJQ-UHFFFAOYSA-N 2 2 273.340 0.574 20 0 CCADLP COc1c(O)cccc1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001219516134 804334431 /nfs/dbraw/zinc/33/44/31/804334431.db2.gz HPMQKBPBZRQTLZ-NUPCCRGMSA-N 2 2 277.324 0.561 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC001219562050 804349289 /nfs/dbraw/zinc/34/92/89/804349289.db2.gz TVSNFIIUBYNRRA-BNOWGMLFSA-N 2 2 259.353 0.869 20 0 CCADLP O=C(NCCn1cc[nH+]c1)[C@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001219563927 804351502 /nfs/dbraw/zinc/35/15/02/804351502.db2.gz NQWJVJGTGLBMSP-UKRRQHHQSA-N 2 2 292.383 0.548 20 0 CCADLP Cc1ncc(CNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)s1 ZINC001219595882 804367215 /nfs/dbraw/zinc/36/72/15/804367215.db2.gz URGOLIOYYJAUAC-SKDRFNHKSA-N 2 2 266.370 0.019 20 0 CCADLP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)CN(C)c2cccc[nH+]2)C1 ZINC001219638946 804385478 /nfs/dbraw/zinc/38/54/78/804385478.db2.gz SEDUUNIIEMDXLW-STQMWFEESA-N 2 2 276.384 0.880 20 0 CCADLP C[C@H]1C[NH2+]C[C@H](CNC(=O)Cc2cc[nH+]c(N)c2)C1 ZINC001219650488 804392540 /nfs/dbraw/zinc/39/25/40/804392540.db2.gz ORNDRAIGCSBMPT-ZYHUDNBSSA-N 2 2 262.357 0.568 20 0 CCADLP O=C(NCc1cc(F)c(F)c(F)c1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219904346 804442876 /nfs/dbraw/zinc/44/28/76/804442876.db2.gz VUMRUFLRIRQMQY-KPXOXKRLSA-N 2 2 299.296 0.670 20 0 CCADLP Cc1ccc(CCNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)c(C)c1 ZINC001219907855 804445348 /nfs/dbraw/zinc/44/53/48/804445348.db2.gz HNZXZBFKICNRSV-NVXWUHKLSA-N 2 2 287.407 0.914 20 0 CCADLP Cc1c[nH]c(CCNC(=O)C[C@@H]([NH3+])CCCC[NH3+])[nH+]1 ZINC001219951972 804456551 /nfs/dbraw/zinc/45/65/51/804456551.db2.gz JOVHQYLGQYVYAM-NSHDSACASA-N 3 2 267.377 0.223 20 0 CCADLP C[N@@H+]1CCC[C@H](CCNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001219981168 804464580 /nfs/dbraw/zinc/46/45/80/804464580.db2.gz YTJATAABYUPXJV-BHPKHCPMSA-N 3 2 280.416 0.056 20 0 CCADLP C[N@H+]1CCC[C@H](CCNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001219981168 804464587 /nfs/dbraw/zinc/46/45/87/804464587.db2.gz YTJATAABYUPXJV-BHPKHCPMSA-N 3 2 280.416 0.056 20 0 CCADLP O=C(NC1C2CC3CC(C2)CC1C3)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219989804 804466788 /nfs/dbraw/zinc/46/67/88/804466788.db2.gz QJOVKXUYYGYXLF-QYLCQJNZSA-N 2 2 289.423 0.879 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2cccc3ncccc23)C1 ZINC001220039597 804481321 /nfs/dbraw/zinc/48/13/21/804481321.db2.gz LIBVUTXWQJAKKY-RISCZKNCSA-N 2 2 270.336 0.540 20 0 CCADLP O=C(NCc1n[nH]c2ccccc21)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220044881 804482126 /nfs/dbraw/zinc/48/21/26/804482126.db2.gz CNHXHNKNNPULLC-BONVTDFDSA-N 2 2 285.351 0.131 20 0 CCADLP O=C(NC1(c2ccccn2)CC1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220137130 804509546 /nfs/dbraw/zinc/50/95/46/804509546.db2.gz SDPMDJVRHVSGKX-NHYWBVRUSA-N 2 2 272.352 0.138 20 0 CCADLP CC[C@H](C)[C@@H]([NH2+]C)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC001220189303 804531926 /nfs/dbraw/zinc/53/19/26/804531926.db2.gz OMRNNRMZKQKKHK-GARJFASQSA-N 2 2 277.359 0.982 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@@H]2CCCc3cccnc32)C1 ZINC001220226731 804542390 /nfs/dbraw/zinc/54/23/90/804542390.db2.gz XGFDKNRBBUBPCF-UTUOFQBUSA-N 2 2 260.341 0.264 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCc2cccnc21 ZINC001220225881 804542696 /nfs/dbraw/zinc/54/26/96/804542696.db2.gz KSELVCGAMZZMMX-QWHCGFSZSA-N 2 2 285.351 0.868 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NCCc2cnccn2)cc1 ZINC001220242467 804546528 /nfs/dbraw/zinc/54/65/28/804546528.db2.gz AKDJTLUBEYRZDJ-AWEZNQCLSA-N 2 2 285.351 0.408 20 0 CCADLP COC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1 ZINC001220303862 804567083 /nfs/dbraw/zinc/56/70/83/804567083.db2.gz GWCUSTIKGCPCDT-AVGNSLFASA-N 2 2 297.399 0.304 20 0 CCADLP O=C(NCc1cccc2n[nH]cc21)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220308057 804567774 /nfs/dbraw/zinc/56/77/74/804567774.db2.gz BHYFRGVBGURLHT-ABAIWWIYSA-N 2 2 285.351 0.131 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCCC(F)(F)C1 ZINC001220308109 804568556 /nfs/dbraw/zinc/56/85/56/804568556.db2.gz COAZLMWKFKJFKV-WPRPVWTQSA-N 2 2 272.299 0.974 20 0 CCADLP O=C(N[C@@H]1CCCC(F)(F)C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220308807 804570314 /nfs/dbraw/zinc/57/03/14/804570314.db2.gz PNHSQLDOYHVFFW-CWSCBRNRSA-N 2 2 273.327 0.632 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1CCc2[nH]c3ccccc3c2C1 ZINC001220347204 804580226 /nfs/dbraw/zinc/58/02/26/804580226.db2.gz BCSDWNHRPUHCNZ-BPNCWPANSA-N 2 2 298.390 0.688 20 0 CCADLP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220383845 804589414 /nfs/dbraw/zinc/58/94/14/804589414.db2.gz DZLJJQLZXLWBKV-BNOWGMLFSA-N 3 2 288.395 0.811 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NCC2(O)CCC2)cc1 ZINC001220383561 804589994 /nfs/dbraw/zinc/58/99/94/804589994.db2.gz AYLMDEGIYSNNAN-GFCCVEGCSA-N 2 2 263.341 0.290 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCCc1c[nH]c2cccnc12 ZINC001220384371 804591782 /nfs/dbraw/zinc/59/17/82/804591782.db2.gz QUECVCDRKUPPQT-GFCCVEGCSA-N 2 2 298.350 0.515 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1cc(C(F)(F)F)ccn1 ZINC001220389962 804592426 /nfs/dbraw/zinc/59/24/26/804592426.db2.gz IPQIFZWRQRCLCE-UWVGGRQHSA-N 2 2 288.273 0.263 20 0 CCADLP C[NH+]1C(C)(C)CC(NC(=O)C2([NH3+])CC[NH2+]CC2)CC1(C)C ZINC001220510907 804616918 /nfs/dbraw/zinc/61/69/18/804616918.db2.gz MSXMZEIILPFQIZ-UHFFFAOYSA-N 3 2 296.459 0.835 20 0 CCADLP O=C(NCOc1ccccc1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220562915 804624476 /nfs/dbraw/zinc/62/44/76/804624476.db2.gz IYUYBHSPTNXJSP-BXUZGUMPSA-N 2 2 261.325 0.091 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@@H]2CCc3ccc(O)cc3C2)C1 ZINC001220592484 804633269 /nfs/dbraw/zinc/63/32/69/804633269.db2.gz LICZFNJZHLEOGQ-BZPMIXESSA-N 2 2 275.352 0.055 20 0 CCADLP O=C(N[C@@H]1CNc2ccccc2C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220599215 804636228 /nfs/dbraw/zinc/63/62/28/804636228.db2.gz PNYWHKQSZOOATN-HEHGZKQESA-N 2 2 286.379 0.091 20 0 CCADLP CCCC[C@@](CC)(NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C(=O)OCC ZINC001220638893 804642782 /nfs/dbraw/zinc/64/27/82/804642782.db2.gz ZCZFVYWRMMBLGT-SLEUVZQESA-N 2 2 299.415 0.551 20 0 CCADLP CCOC(=O)[C@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)[C@@H](C)CC ZINC001220665938 804646162 /nfs/dbraw/zinc/64/61/62/804646162.db2.gz NKFJYLYBIINTDX-ZMLRMANQSA-N 2 2 296.371 0.374 20 0 CCADLP CC(=O)CC(C)(C)NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220687193 804650930 /nfs/dbraw/zinc/65/09/30/804650930.db2.gz IJLDAPYGBNWNRO-NSHDSACASA-N 2 2 266.345 0.164 20 0 CCADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3[NH2+]1)C2 ZINC001220716459 804655484 /nfs/dbraw/zinc/65/54/84/804655484.db2.gz IDLDMQGYXCJCNC-CTTWBBHYSA-N 3 2 292.427 0.068 20 0 CCADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3[NH2+]1)C2 ZINC001220716459 804655486 /nfs/dbraw/zinc/65/54/86/804655486.db2.gz IDLDMQGYXCJCNC-CTTWBBHYSA-N 3 2 292.427 0.068 20 0 CCADLP COC(=O)C[C@@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C1CCCCC1 ZINC001220731205 804658108 /nfs/dbraw/zinc/65/81/08/804658108.db2.gz HQNQDJKEZBVLSW-UPJWGTAASA-N 2 2 297.399 0.304 20 0 CCADLP COC1CCC(CCNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001220754657 804660814 /nfs/dbraw/zinc/66/08/14/804660814.db2.gz KFFYESMZYPDILF-YWIABWOTSA-N 2 2 295.427 0.649 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@@]23CC[C@@]([NH3+])(C2)CCC3)C1 ZINC001220777234 804664544 /nfs/dbraw/zinc/66/45/44/804664544.db2.gz JHYNMACDVLSAOF-BNOWGMLFSA-N 2 2 267.373 0.237 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@@]23CC[C@@]([NH3+])(C2)CCC3)C1 ZINC001220777234 804664545 /nfs/dbraw/zinc/66/45/45/804664545.db2.gz JHYNMACDVLSAOF-BNOWGMLFSA-N 2 2 267.373 0.237 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2cc(F)cnc2Cl)C1 ZINC001220810591 804670962 /nfs/dbraw/zinc/67/09/62/804670962.db2.gz MFLDPUAKCTZYFR-BDAKNGLRSA-N 2 2 272.711 0.180 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001220918663 804700037 /nfs/dbraw/zinc/70/00/37/804700037.db2.gz AYEXDGXXOYXLSS-BZPMIXESSA-N 3 2 280.416 0.199 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001220918663 804700041 /nfs/dbraw/zinc/70/00/41/804700041.db2.gz AYEXDGXXOYXLSS-BZPMIXESSA-N 3 2 280.416 0.199 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCc2nccnc21 ZINC001220948897 804704847 /nfs/dbraw/zinc/70/48/47/804704847.db2.gz JNIZWZOBWQDTLV-CMPLNLGQSA-N 2 2 286.339 0.263 20 0 CCADLP COc1cccc(C(C)(C)CNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)n1 ZINC001220997050 804715920 /nfs/dbraw/zinc/71/59/20/804715920.db2.gz TXFJNBWVWDMWMC-MNOVXSKESA-N 2 2 292.383 0.173 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NCCc2nncs2)cc1 ZINC001221015842 804720180 /nfs/dbraw/zinc/72/01/80/804720180.db2.gz QDVBUQGUHMKGMA-LLVKDONJSA-N 2 2 291.380 0.469 20 0 CCADLP C[S@@](=O)CC[C@H]([NH3+])C(=O)NCc1c[nH+]cn1C1CCC1 ZINC001221023140 804721667 /nfs/dbraw/zinc/72/16/67/804721667.db2.gz CDIIPTYYDNFVQY-FKIZINRSSA-N 2 2 298.412 0.320 20 0 CCADLP COc1cccnc1C(C)(C)CNC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001221170573 804739539 /nfs/dbraw/zinc/73/95/39/804739539.db2.gz NHVISKKAEJTIAP-QWRGUYRKSA-N 2 2 292.383 0.031 20 0 CCADLP Cc1cccc(C2(NC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])CC2)c1 ZINC001221329718 804778255 /nfs/dbraw/zinc/77/82/55/804778255.db2.gz NIQWJUXAZWEJEA-STQMWFEESA-N 2 2 259.353 0.647 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@@H]2CCc3c2cccc3O)C1 ZINC001221395131 804800028 /nfs/dbraw/zinc/80/00/28/804800028.db2.gz NBXJMTUAADIBPY-FXAINCCUSA-N 2 2 261.325 0.185 20 0 CCADLP C[C@H]1CC[NH2+][C@H](C(=O)NCCOc2cc[nH+]cc2)C1 ZINC001221394285 804800827 /nfs/dbraw/zinc/80/08/27/804800827.db2.gz ZBENBMXZEVGJDX-AAEUAGOBSA-N 2 2 263.341 0.965 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)[C@@H](C)C1 ZINC001221407400 804807246 /nfs/dbraw/zinc/80/72/46/804807246.db2.gz LOSGXZGPRIXLRT-QKDZRIPBSA-N 3 2 294.443 0.443 20 0 CCADLP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)[C@@H](C)C1 ZINC001221407400 804807253 /nfs/dbraw/zinc/80/72/53/804807253.db2.gz LOSGXZGPRIXLRT-QKDZRIPBSA-N 3 2 294.443 0.443 20 0 CCADLP COc1ncc(C[NH+]2CCC(F)(C[NH3+])CC2)c(OC)n1 ZINC001222538983 804913190 /nfs/dbraw/zinc/91/31/90/804913190.db2.gz SKQDGHLKJOBDAL-UHFFFAOYSA-N 2 2 284.335 0.757 20 0 CCADLP CCOCC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001276948790 805011654 /nfs/dbraw/zinc/01/16/54/805011654.db2.gz JMVDJCAIHFZWAE-OAHLLOKOSA-N 2 2 297.443 0.945 20 0 CCADLP CCOCC[N@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001276948790 805011664 /nfs/dbraw/zinc/01/16/64/805011664.db2.gz JMVDJCAIHFZWAE-OAHLLOKOSA-N 2 2 297.443 0.945 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001276985784 805062403 /nfs/dbraw/zinc/06/24/03/805062403.db2.gz JGUXBNGXEAKLLN-NEPJUHHUSA-N 2 2 266.345 0.109 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001276985784 805062412 /nfs/dbraw/zinc/06/24/12/805062412.db2.gz JGUXBNGXEAKLLN-NEPJUHHUSA-N 2 2 266.345 0.109 20 0 CCADLP C[C@@H](CC(=O)NCC1CC[NH+](CCO)CC1)n1cc[nH+]c1 ZINC001224692070 805069771 /nfs/dbraw/zinc/06/97/71/805069771.db2.gz MMHPZZNXFPLVFF-ZDUSSCGKSA-N 2 2 294.399 0.655 20 0 CCADLP COCC[NH+]1CCC(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001225665088 805149570 /nfs/dbraw/zinc/14/95/70/805149570.db2.gz JOGKBGQEPXQWJJ-UHFFFAOYSA-N 2 2 280.372 0.358 20 0 CCADLP COCC[NH2+]C1(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001277072665 805162154 /nfs/dbraw/zinc/16/21/54/805162154.db2.gz XBAJPPVPXFBSEH-UHFFFAOYSA-N 2 2 266.345 0.227 20 0 CCADLP COCC[NH2+]C1(CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001277072665 805162164 /nfs/dbraw/zinc/16/21/64/805162164.db2.gz XBAJPPVPXFBSEH-UHFFFAOYSA-N 2 2 266.345 0.227 20 0 CCADLP COc1cc(N2CC3(CN(CC[NH+](C)C)C3)C2)cc[nH+]1 ZINC001277075674 805165157 /nfs/dbraw/zinc/16/51/57/805165157.db2.gz NHVDIZSKKHCEQL-UHFFFAOYSA-N 2 2 276.384 0.774 20 0 CCADLP CO[C@@H](C)C[NH+]1CCC(NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001227138857 805326642 /nfs/dbraw/zinc/32/66/42/805326642.db2.gz TXSLODLSFKLBGO-LBPRGKRZSA-N 2 2 294.399 0.958 20 0 CCADLP COCC[NH+]1CCC(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001227715181 805384870 /nfs/dbraw/zinc/38/48/70/805384870.db2.gz QBXKWTZECBAMIL-UHFFFAOYSA-N 2 2 280.372 0.569 20 0 CCADLP COCC[NH+]1CCC(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001227715181 805384881 /nfs/dbraw/zinc/38/48/81/805384881.db2.gz QBXKWTZECBAMIL-UHFFFAOYSA-N 2 2 280.372 0.569 20 0 CCADLP C[C@H](O)C[NH+]1CCC(NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001229385285 805528876 /nfs/dbraw/zinc/52/88/76/805528876.db2.gz QJCUEGYEWHTDMX-STQMWFEESA-N 2 2 294.399 0.796 20 0 CCADLP COCC[NH2+][C@H]1C[C@H](C)N(C(=O)CCn2cc[nH+]c2)C1 ZINC001278389980 807060895 /nfs/dbraw/zinc/06/08/95/807060895.db2.gz BKPLULNWWNSBSR-STQMWFEESA-N 2 2 280.372 0.499 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@@H]1CCC[NH2+][C@H]1C ZINC001245982615 807107144 /nfs/dbraw/zinc/10/71/44/807107144.db2.gz LMKPDOGKVGUWTB-MELADBBJSA-N 3 2 257.422 0.667 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH2+]C[C@@H]1CC[C@H](C)C[NH2+]1 ZINC001245987829 807108342 /nfs/dbraw/zinc/10/83/42/807108342.db2.gz CIGFEHQBHVXSNN-SRVKXCTJSA-N 2 2 258.362 0.278 20 0 CCADLP C[C@@](O)(C[NH2+][C@@H]1CC12C[NH2+]C2)C(=O)OCc1ccccc1 ZINC001246011127 807114217 /nfs/dbraw/zinc/11/42/17/807114217.db2.gz RVIGUCLALIDRGA-UKRRQHHQSA-N 2 2 290.363 0.432 20 0 CCADLP C[C@@]1([NH3+])CC[N@H+](C[C@@H](O)COCC(F)(F)C(F)F)C1 ZINC001246013715 807116282 /nfs/dbraw/zinc/11/62/82/807116282.db2.gz IRDXRQDYRYQWAL-PSASIEDQSA-N 2 2 288.285 0.687 20 0 CCADLP C[C@@]1([NH3+])CC[N@@H+](C[C@@H](O)COCC(F)(F)C(F)F)C1 ZINC001246013715 807116285 /nfs/dbraw/zinc/11/62/85/807116285.db2.gz IRDXRQDYRYQWAL-PSASIEDQSA-N 2 2 288.285 0.687 20 0 CCADLP O[C@H](C[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1)C(F)(F)F ZINC001246061002 807137198 /nfs/dbraw/zinc/13/71/98/807137198.db2.gz SJJLYIWKIDCKNB-LPEHRKFASA-N 2 2 252.280 0.984 20 0 CCADLP O[C@H](C[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1)C(F)(F)F ZINC001246061002 807137203 /nfs/dbraw/zinc/13/72/03/807137203.db2.gz SJJLYIWKIDCKNB-LPEHRKFASA-N 2 2 252.280 0.984 20 0 CCADLP COc1cccc(OC[C@H](O)C[N@H+](C)C[C@H](C)[NH3+])c1 ZINC001246059205 807137929 /nfs/dbraw/zinc/13/79/29/807137929.db2.gz NFMOAGPSYZVZQP-NWDGAFQWSA-N 2 2 268.357 0.714 20 0 CCADLP COc1cccc(OC[C@H](O)C[N@@H+](C)C[C@H](C)[NH3+])c1 ZINC001246059205 807137932 /nfs/dbraw/zinc/13/79/32/807137932.db2.gz NFMOAGPSYZVZQP-NWDGAFQWSA-N 2 2 268.357 0.714 20 0 CCADLP COC(=O)C1C[C@@H]2CC([NH2+]C3CC[NH2+]CC3)C[C@H](C1)[NH2+]2 ZINC001246082842 807146442 /nfs/dbraw/zinc/14/64/42/807146442.db2.gz YLWVMGVPZBEDME-AMZBWDOQSA-N 3 2 281.400 0.400 20 0 CCADLP C1C[NH2+]CC2(C1)CCC([NH2+][C@H]1C[NH2+]CCOC1)CC2 ZINC001246094711 807150800 /nfs/dbraw/zinc/15/08/00/807150800.db2.gz XNQNQCYXUOWLLE-SLTAFYQDSA-N 3 2 267.417 0.877 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N[C@@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246110761 807155433 /nfs/dbraw/zinc/15/54/33/807155433.db2.gz OHHWVAZLYOATOR-UTUOFQBUSA-N 2 2 269.389 0.400 20 0 CCADLP C[C@H]1C[NH2+]C[C@@H]1N[C@@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246115518 807157247 /nfs/dbraw/zinc/15/72/47/807157247.db2.gz IRDSQHGANTXAPD-BJDJZHNGSA-N 2 2 269.389 0.256 20 0 CCADLP CCOc1ccc([C@@H](CO)[NH2+]C2CC[NH2+]CC2)cn1 ZINC001246132960 807161996 /nfs/dbraw/zinc/16/19/96/807161996.db2.gz IUIDYQMFZAAEME-CYBMUJFWSA-N 2 2 265.357 0.855 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N[C@@H]2CC[NH2+][C@H]2c2ccccc2)C[NH2+]1 ZINC001246142686 807165408 /nfs/dbraw/zinc/16/54/08/807165408.db2.gz OBUFSZFDDLJFQV-KBXIAJHMSA-N 2 2 289.379 0.583 20 0 CCADLP COC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CSC2(C[NH2+]C2)C1 ZINC001246154665 807170835 /nfs/dbraw/zinc/17/08/35/807170835.db2.gz ZWBLOZLBAYABRQ-MNOVXSKESA-N 3 2 287.429 0.094 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N2CCCc3ccc(C[NH3+])nc32)C[NH2+]1 ZINC001246265117 807201388 /nfs/dbraw/zinc/20/13/88/807201388.db2.gz UKIGYAQKGZHBNM-OLZOCXBDSA-N 2 2 290.367 0.196 20 0 CCADLP COC(=O)[C@@H]1C[C@H](NCC2([NH3+])CCCCC2)C[NH2+]1 ZINC001246280270 807205891 /nfs/dbraw/zinc/20/58/91/807205891.db2.gz SGVJPAIOHXFWGE-QWRGUYRKSA-N 2 2 255.362 0.141 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@H](NC2(C[NH3+])CCCC2)C[NH2+]1 ZINC001246285120 807207581 /nfs/dbraw/zinc/20/75/81/807207581.db2.gz DTMQPWPAFRCRSW-RYUDHWBXSA-N 2 2 283.416 0.920 20 0 CCADLP CCCC[C@@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C(=O)OC ZINC001246304759 807216155 /nfs/dbraw/zinc/21/61/55/807216155.db2.gz BHCRCFKITMGJHX-NWDGAFQWSA-N 2 2 269.389 0.402 20 0 CCADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)CCS(=O)(=O)CCC(=O)OC ZINC001246311411 807218671 /nfs/dbraw/zinc/21/86/71/807218671.db2.gz CJHDPTNDTHCLSD-WDEREUQCSA-N 2 2 294.417 0.070 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCc2c(F)cccc2C1 ZINC001246312496 807218768 /nfs/dbraw/zinc/21/87/68/807218768.db2.gz XXQREFFZSAYOGL-YWPYICTPSA-N 2 2 264.344 0.853 20 0 CCADLP CC[C@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C(=O)OC(C)(C)C ZINC001246321212 807221656 /nfs/dbraw/zinc/22/16/56/807221656.db2.gz ARZSLPZEUYJOIE-RYUDHWBXSA-N 2 2 283.416 0.790 20 0 CCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246332801 807225029 /nfs/dbraw/zinc/22/50/29/807225029.db2.gz JBNORFHMLBMKNX-WZRBSPASSA-N 2 2 280.372 0.234 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C[NH3+])C(C)(C)C)CN1 ZINC001246343713 807227599 /nfs/dbraw/zinc/22/75/99/807227599.db2.gz HFOZIHAWTIYVCK-VWYCJHECSA-N 2 2 257.378 0.243 20 0 CCADLP O=C(c1ccccn1)N1CC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC001246361859 807233435 /nfs/dbraw/zinc/23/34/35/807233435.db2.gz PCQVQTFKJPNDGL-QWHCGFSZSA-N 2 2 274.368 0.638 20 0 CCADLP CCC(CC)[N@@H+]1CC[C@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246360643 807233742 /nfs/dbraw/zinc/23/37/42/807233742.db2.gz GYZZCTHAQDIEQX-KBPBESRZSA-N 3 2 280.460 0.933 20 0 CCADLP CCC(CC)[N@H+]1CC[C@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246360643 807233747 /nfs/dbraw/zinc/23/37/47/807233747.db2.gz GYZZCTHAQDIEQX-KBPBESRZSA-N 3 2 280.460 0.933 20 0 CCADLP C1[NH2+]CC12C[C@@H]([NH2+][C@@H]1CC[N@@H+](C3CCCC3)C1)CCN2 ZINC001246360042 807234247 /nfs/dbraw/zinc/23/42/47/807234247.db2.gz ICJQEECRHLUEST-UONOGXRCSA-N 3 2 278.444 0.687 20 0 CCADLP C1[NH2+]CC12C[C@@H]([NH2+][C@@H]1CC[N@H+](C3CCCC3)C1)CCN2 ZINC001246360042 807234251 /nfs/dbraw/zinc/23/42/51/807234251.db2.gz ICJQEECRHLUEST-UONOGXRCSA-N 3 2 278.444 0.687 20 0 CCADLP CCOC(=O)[C@H]1CC[C@H]([NH2+][C@@H](CCC[NH3+])C(=O)OC)C1 ZINC001246400218 807242588 /nfs/dbraw/zinc/24/25/88/807242588.db2.gz DVJCDPQRMTVCCF-SRVKXCTJSA-N 2 2 286.372 0.588 20 0 CCADLP [NH3+]C[C@@]1(F)CCCC[N@@H+]([C@H]2CCOC3(C[NH2+]C3)C2)C1 ZINC001246581474 807304209 /nfs/dbraw/zinc/30/42/09/807304209.db2.gz PXCNKXYMNQQCHJ-STQMWFEESA-N 3 2 271.380 0.660 20 0 CCADLP [NH3+]C[C@@]1(F)CCCC[N@H+]([C@H]2CCOC3(C[NH2+]C3)C2)C1 ZINC001246581474 807304217 /nfs/dbraw/zinc/30/42/17/807304217.db2.gz PXCNKXYMNQQCHJ-STQMWFEESA-N 3 2 271.380 0.660 20 0 CCADLP C1C[N@@H+]([C@H]2CC3CC[NH+](CC3)C2)CC2(CC[NH2+]CC2)N1 ZINC001246605206 807319950 /nfs/dbraw/zinc/31/99/50/807319950.db2.gz PPAQAGFSQTWCDZ-HNNXBMFYSA-N 3 2 278.444 0.498 20 0 CCADLP C1C[N@H+]([C@H]2CC3CC[NH+](CC3)C2)CC2(CC[NH2+]CC2)N1 ZINC001246605206 807319959 /nfs/dbraw/zinc/31/99/59/807319959.db2.gz PPAQAGFSQTWCDZ-HNNXBMFYSA-N 3 2 278.444 0.498 20 0 CCADLP CCOC(=O)[C@@H]1CC2(C[N@@H+]1C1CC[NH2+]CC1)CC[NH2+]CC2 ZINC001246605200 807320944 /nfs/dbraw/zinc/32/09/44/807320944.db2.gz SSZYIFPVBVKOCO-AWEZNQCLSA-N 3 2 295.427 0.746 20 0 CCADLP CCOC(=O)[C@@H]1CC2(C[N@H+]1C1CC[NH2+]CC1)CC[NH2+]CC2 ZINC001246605200 807320953 /nfs/dbraw/zinc/32/09/53/807320953.db2.gz SSZYIFPVBVKOCO-AWEZNQCLSA-N 3 2 295.427 0.746 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([NH+]2CCC3(CCCC[NH2+]3)CC2)CN1 ZINC001246615955 807323779 /nfs/dbraw/zinc/32/37/79/807323779.db2.gz YOQVRMWMGBZWLF-KGLIPLIRSA-N 2 2 295.427 0.888 20 0 CCADLP CC1(C)C[C@@H]([N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CC[NH2+]1 ZINC001246642005 807342247 /nfs/dbraw/zinc/34/22/47/807342247.db2.gz KUIIVKNPSHHXRO-GXTWGEPZSA-N 3 2 252.406 0.154 20 0 CCADLP CC1(C)C[C@@H]([N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CC[NH2+]1 ZINC001246642005 807342256 /nfs/dbraw/zinc/34/22/56/807342256.db2.gz KUIIVKNPSHHXRO-GXTWGEPZSA-N 3 2 252.406 0.154 20 0 CCADLP COC(=O)[C@@H]1CC[C@H](n2c(C)[nH+]c3c2CC[NH2+]CC3)CN1 ZINC001246668543 807351032 /nfs/dbraw/zinc/35/10/32/807351032.db2.gz YUEDLZKYFZPYQZ-AAEUAGOBSA-N 2 2 292.383 0.346 20 0 CCADLP COC(=O)[C@@H]1CC[C@H](n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)CN1 ZINC001246850745 807406303 /nfs/dbraw/zinc/40/63/03/807406303.db2.gz WTLRSDOMVGTIOU-AGIUHOORSA-N 2 2 292.383 0.816 20 0 CCADLP CC(=O)N1CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)C1 ZINC001246857870 807409860 /nfs/dbraw/zinc/40/98/60/807409860.db2.gz IPOFLRVZCNUYFH-RAQOOLMWSA-N 2 2 251.374 0.822 20 0 CCADLP CC(=O)N1CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)C1 ZINC001246857870 807409861 /nfs/dbraw/zinc/40/98/61/807409861.db2.gz IPOFLRVZCNUYFH-RAQOOLMWSA-N 2 2 251.374 0.822 20 0 CCADLP C[C@@H](CC(=O)N1CCOCC1)[N@H+](C)C[C@@H]1CCC[NH2+]1 ZINC001246887736 807420861 /nfs/dbraw/zinc/42/08/61/807420861.db2.gz BYUQRXVEFXMIOL-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H](CC(=O)N1CCOCC1)[N@@H+](C)C[C@@H]1CCC[NH2+]1 ZINC001246887736 807420864 /nfs/dbraw/zinc/42/08/64/807420864.db2.gz BYUQRXVEFXMIOL-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP CC[N@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CN[C@@](CC)(C(=O)OC)C1 ZINC001246949011 807439537 /nfs/dbraw/zinc/43/95/37/807439537.db2.gz RRISZJDFFJRERK-UMVBOHGHSA-N 2 2 283.416 0.602 20 0 CCADLP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CN[C@@](CC)(C(=O)OC)C1 ZINC001246949011 807439540 /nfs/dbraw/zinc/43/95/40/807439540.db2.gz RRISZJDFFJRERK-UMVBOHGHSA-N 2 2 283.416 0.602 20 0 CCADLP FC(F)(F)[C@@H]1C[N@@H+]([C@H]2CCC[NH2+]CC2)CCN1 ZINC001246990342 807448235 /nfs/dbraw/zinc/44/82/35/807448235.db2.gz NICMVKUWVMCMOT-UWVGGRQHSA-N 2 2 251.296 0.965 20 0 CCADLP FC(F)(F)[C@@H]1C[N@H+]([C@H]2CCC[NH2+]CC2)CCN1 ZINC001246990342 807448241 /nfs/dbraw/zinc/44/82/41/807448241.db2.gz NICMVKUWVMCMOT-UWVGGRQHSA-N 2 2 251.296 0.965 20 0 CCADLP CN(C)c1cccc(-c2noc(C[C@@H]([NH3+])C[NH3+])n2)c1 ZINC001249130176 807544372 /nfs/dbraw/zinc/54/43/72/807544372.db2.gz WIWIVBPICLMLPT-SNVBAGLBSA-N 2 2 261.329 0.631 20 0 CCADLP [NH3+]C[C@H]([NH3+])Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC001249129362 807544463 /nfs/dbraw/zinc/54/44/63/807544463.db2.gz MUPATNRDQKDLBG-ZCFIWIBFSA-N 2 2 272.230 0.982 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@](C)(C[NH2+]CCO)C1 ZINC001278577283 807602784 /nfs/dbraw/zinc/60/27/84/807602784.db2.gz OCCASOINQJMIDW-OAHLLOKOSA-N 2 2 294.399 0.173 20 0 CCADLP CCCCC[NH+]1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC001251014682 807641781 /nfs/dbraw/zinc/64/17/81/807641781.db2.gz FSWZUMSQWQHNBR-INIZCTEOSA-N 2 2 299.459 0.487 20 0 CCADLP [NH2+]=C(NC[C@@H](O)C[NH+]1CCOCC1)c1cc(F)cc(F)c1 ZINC001251034848 807650609 /nfs/dbraw/zinc/65/06/09/807650609.db2.gz CNUKUDBTHFMVIM-CYBMUJFWSA-N 2 2 299.321 0.573 20 0 CCADLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](C[C@H](O)CO)C2)C1 ZINC001252057532 807782384 /nfs/dbraw/zinc/78/23/84/807782384.db2.gz KCEZLGTUXQMBLR-GJZGRUSLSA-N 2 2 286.416 0.162 20 0 CCADLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](C[C@H](O)CO)C2)C1 ZINC001252057532 807782391 /nfs/dbraw/zinc/78/23/91/807782391.db2.gz KCEZLGTUXQMBLR-GJZGRUSLSA-N 2 2 286.416 0.162 20 0 CCADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](C[C@H](O)CO)C2)C1 ZINC001252057532 807782397 /nfs/dbraw/zinc/78/23/97/807782397.db2.gz KCEZLGTUXQMBLR-GJZGRUSLSA-N 2 2 286.416 0.162 20 0 CCADLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](C[C@H](O)CO)C2)C1 ZINC001252057532 807782401 /nfs/dbraw/zinc/78/24/01/807782401.db2.gz KCEZLGTUXQMBLR-GJZGRUSLSA-N 2 2 286.416 0.162 20 0 CCADLP COC(=O)[C@@H](O)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001252447488 807865775 /nfs/dbraw/zinc/86/57/75/807865775.db2.gz ZCOHRFJYWHBRCA-LBPRGKRZSA-N 2 2 279.340 0.174 20 0 CCADLP CCC[C@@H](O)C[NH2+]CCC(=O)NCCc1c[nH]c[nH+]1 ZINC001252803603 807961272 /nfs/dbraw/zinc/96/12/72/807961272.db2.gz UPGWDMVOWCKOAW-GFCCVEGCSA-N 2 2 268.361 0.209 20 0 CCADLP CCC[C@@H](O)C[NH2+]CCC(=O)NCCc1c[nH+]c[nH]1 ZINC001252803603 807961278 /nfs/dbraw/zinc/96/12/78/807961278.db2.gz UPGWDMVOWCKOAW-GFCCVEGCSA-N 2 2 268.361 0.209 20 0 CCADLP O[C@]1(C[NH+]2CC3(COC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC001252917745 807985865 /nfs/dbraw/zinc/98/58/65/807985865.db2.gz XOKRXQMXCCXMIN-QGZVFWFLSA-N 2 2 288.391 0.956 20 0 CCADLP O[C@]1(C[NH+]2CC3(COC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252917745 807985872 /nfs/dbraw/zinc/98/58/72/807985872.db2.gz XOKRXQMXCCXMIN-QGZVFWFLSA-N 2 2 288.391 0.956 20 0 CCADLP O=C1CC([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001252945103 807987479 /nfs/dbraw/zinc/98/74/79/807987479.db2.gz XSKDSZSVJXMWQZ-MRXNPFEDSA-N 2 2 274.364 0.945 20 0 CCADLP O=C1CC([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001252945103 807987481 /nfs/dbraw/zinc/98/74/81/807987481.db2.gz XSKDSZSVJXMWQZ-MRXNPFEDSA-N 2 2 274.364 0.945 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC001253187083 808021401 /nfs/dbraw/zinc/02/14/01/808021401.db2.gz BRNMLMORDAGXID-KGLIPLIRSA-N 2 2 281.404 0.618 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC001253187083 808021408 /nfs/dbraw/zinc/02/14/08/808021408.db2.gz BRNMLMORDAGXID-KGLIPLIRSA-N 2 2 281.404 0.618 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC001253187082 808023077 /nfs/dbraw/zinc/02/30/77/808023077.db2.gz BRNMLMORDAGXID-KBPBESRZSA-N 2 2 281.404 0.618 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC001253187082 808023086 /nfs/dbraw/zinc/02/30/86/808023086.db2.gz BRNMLMORDAGXID-KBPBESRZSA-N 2 2 281.404 0.618 20 0 CCADLP CC[NH+](CC)C[C@H](O)CNC1CC[NH+](CCF)CC1 ZINC001253211203 808033411 /nfs/dbraw/zinc/03/34/11/808033411.db2.gz UAIYVOFFPCJGPK-CQSZACIVSA-N 2 2 275.412 0.713 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CC(=O)NCc1ccccc1 ZINC001253404391 808059051 /nfs/dbraw/zinc/05/90/51/808059051.db2.gz VGOSDNONCGBYIA-AWEZNQCLSA-N 2 2 293.411 0.641 20 0 CCADLP CCCCC[C@H](O)C[NH2+]CCC(=O)NCCc1c[nH]c[nH+]1 ZINC001253556834 808080458 /nfs/dbraw/zinc/08/04/58/808080458.db2.gz BSBJWWLVBWIBQK-AWEZNQCLSA-N 2 2 296.415 0.989 20 0 CCADLP CCCCC[C@H](O)C[NH2+]CCC(=O)NCCc1c[nH+]c[nH]1 ZINC001253556834 808080464 /nfs/dbraw/zinc/08/04/64/808080464.db2.gz BSBJWWLVBWIBQK-AWEZNQCLSA-N 2 2 296.415 0.989 20 0 CCADLP CON(C)C(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001254139382 808189390 /nfs/dbraw/zinc/18/93/90/808189390.db2.gz BKKVYWZMJDGJHZ-GFCCVEGCSA-N 2 2 280.372 0.694 20 0 CCADLP CON(C)C(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001254139382 808189395 /nfs/dbraw/zinc/18/93/95/808189395.db2.gz BKKVYWZMJDGJHZ-GFCCVEGCSA-N 2 2 280.372 0.694 20 0 CCADLP C[NH+]1CCN(CC[NH2+][C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254832450 808281815 /nfs/dbraw/zinc/28/18/15/808281815.db2.gz FSGAHNXTZKATNH-HNNXBMFYSA-N 3 2 266.433 0.308 20 0 CCADLP O=C1CC[C@@H](C[NH2+][C@@H]2CC3CC[NH+](CC3)C2)CN1 ZINC001254836411 808283545 /nfs/dbraw/zinc/28/35/45/808283545.db2.gz ASAJYGXAVJKJJL-QWHCGFSZSA-N 2 2 251.374 0.587 20 0 CCADLP CN1CC[C@@H]([NH2+][C@@H]2CC3CC[NH+](CC3)C2)CC1=O ZINC001254836657 808283855 /nfs/dbraw/zinc/28/38/55/808283855.db2.gz NRFGDSAXBQPSPR-CHWSQXEVSA-N 2 2 251.374 0.681 20 0 CCADLP CN1C[C@@H](C[NH2+][C@H]2CC3CC[NH+](CC3)C2)CC1=O ZINC001254840552 808286053 /nfs/dbraw/zinc/28/60/53/808286053.db2.gz IYXPVHGPCGOOBJ-OLZOCXBDSA-N 2 2 251.374 0.539 20 0 CCADLP CC1(C)CN([C@@H]2CC3CC[NH+](CC3)C2)CC[N@@H+]1CC(N)=O ZINC001254860417 808290039 /nfs/dbraw/zinc/29/00/39/808290039.db2.gz MGIYEKROTYYGEK-CQSZACIVSA-N 2 2 294.443 0.352 20 0 CCADLP CC1(C)CN([C@@H]2CC3CC[NH+](CC3)C2)CC[N@H+]1CC(N)=O ZINC001254860417 808290043 /nfs/dbraw/zinc/29/00/43/808290043.db2.gz MGIYEKROTYYGEK-CQSZACIVSA-N 2 2 294.443 0.352 20 0 CCADLP CN(C[C@@H](O)C[NH2+]C/C=C\Cl)C(=O)Cc1[nH]cc[nH+]1 ZINC001278823726 808294527 /nfs/dbraw/zinc/29/45/27/808294527.db2.gz QFZLZLSTYDVSAE-ZMWSMAPVSA-N 2 2 286.763 0.114 20 0 CCADLP NC(=O)C1([NH2+]C2CC[NH+](C3CC3)CC2)CCOCC1 ZINC001256069019 808465560 /nfs/dbraw/zinc/46/55/60/808465560.db2.gz NOGYWDHUFZEBGO-UHFFFAOYSA-N 2 2 267.373 0.237 20 0 CCADLP COC(=O)[C@H]1C[C@H](C(=O)OC)C[NH+](C2CC[NH+](C)CC2)C1 ZINC001256208272 808479428 /nfs/dbraw/zinc/47/94/28/808479428.db2.gz BYHAQJJEZPQDCH-RYUDHWBXSA-N 2 2 298.383 0.365 20 0 CCADLP COC(=O)[C@@H]1C[C@H](C(=O)OC)C[N@H+](C2CC[NH+](C)CC2)C1 ZINC001256208273 808479656 /nfs/dbraw/zinc/47/96/56/808479656.db2.gz BYHAQJJEZPQDCH-TXEJJXNPSA-N 2 2 298.383 0.365 20 0 CCADLP COC(=O)[C@@H]1C[C@H](C(=O)OC)C[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001256208273 808479659 /nfs/dbraw/zinc/47/96/59/808479659.db2.gz BYHAQJJEZPQDCH-TXEJJXNPSA-N 2 2 298.383 0.365 20 0 CCADLP C[NH+]1CCC([N@@H+]2CCc3[nH]c(=O)[nH]c(=O)c3C2)CC1 ZINC001256209521 808481452 /nfs/dbraw/zinc/48/14/52/808481452.db2.gz XUZZYOYZVLWYRY-UHFFFAOYSA-N 2 2 264.329 0.340 20 0 CCADLP C[NH+]1CCC([N@H+]2CCc3[nH]c(=O)[nH]c(=O)c3C2)CC1 ZINC001256209521 808481458 /nfs/dbraw/zinc/48/14/58/808481458.db2.gz XUZZYOYZVLWYRY-UHFFFAOYSA-N 2 2 264.329 0.340 20 0 CCADLP COC(=O)[C@H](C)[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256679414 808548386 /nfs/dbraw/zinc/54/83/86/808548386.db2.gz JZCMKXJYEGJTNR-HIFPTAJRSA-N 2 2 270.373 0.781 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H](NC(=[NH2+])N2CC[NH+](C)CC2)C1 ZINC001257023998 808577808 /nfs/dbraw/zinc/57/78/08/808577808.db2.gz AIHNKDBRAOJYSQ-NEPJUHHUSA-N 2 2 282.388 0.490 20 0 CCADLP CC(C)C[NH+]1CCC(NC(=[NH2+])N2CC[NH+](C)CC2)CC1 ZINC001258003188 808647012 /nfs/dbraw/zinc/64/70/12/808647012.db2.gz GDFFQKMESNOHDN-UHFFFAOYSA-N 3 2 281.448 0.879 20 0 CCADLP CCC[NH+]1CCC(N2CC([N@H+](C)C3COC3)C2)CC1 ZINC001258775522 808701575 /nfs/dbraw/zinc/70/15/75/808701575.db2.gz RRYBKMWQFARWJS-UHFFFAOYSA-N 2 2 267.417 0.876 20 0 CCADLP CCC[NH+]1CCC(N2CC([N@@H+](C)C3COC3)C2)CC1 ZINC001258775522 808701580 /nfs/dbraw/zinc/70/15/80/808701580.db2.gz RRYBKMWQFARWJS-UHFFFAOYSA-N 2 2 267.417 0.876 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001076107486 815244568 /nfs/dbraw/zinc/24/45/68/815244568.db2.gz YMOLDTVFEAFONB-UONOGXRCSA-N 2 2 292.383 0.188 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001076107486 815244572 /nfs/dbraw/zinc/24/45/72/815244572.db2.gz YMOLDTVFEAFONB-UONOGXRCSA-N 2 2 292.383 0.188 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC001262580617 809355975 /nfs/dbraw/zinc/35/59/75/809355975.db2.gz VQSUUTXJFUKIQB-DGCLKSJQSA-N 2 2 268.405 0.897 20 0 CCADLP C/C=C/C[C@@H](CO)NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001262592670 809363254 /nfs/dbraw/zinc/36/32/54/809363254.db2.gz YLIPZDLHVXWVHW-IBUXWKBASA-N 2 2 284.404 0.036 20 0 CCADLP Cc1sc(C[NH3+])nc1C(=O)NCC(F)(F)C[NH3+] ZINC001263104981 809446832 /nfs/dbraw/zinc/44/68/32/809446832.db2.gz AEBOJOWVSVYXLD-UHFFFAOYSA-N 2 2 264.301 0.234 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]([NH3+])C1CCC1 ZINC001263198694 809479095 /nfs/dbraw/zinc/47/90/95/809479095.db2.gz HNPOBQRXMQSBAS-CHWSQXEVSA-N 2 2 269.389 0.341 20 0 CCADLP CC(C)(C)OC[C@H]([NH3+])C(=O)NCCn1cc[nH+]c1 ZINC000383111414 809558679 /nfs/dbraw/zinc/55/86/79/809558679.db2.gz RBMVDBZVTWBEAR-JTQLQIEISA-N 2 2 254.334 0.142 20 0 CCADLP CC[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CCF)[NH+](C)C ZINC001264376085 809646411 /nfs/dbraw/zinc/64/64/11/809646411.db2.gz BREQWYRVVRQCIW-RYUDHWBXSA-N 2 2 259.369 0.829 20 0 CCADLP CC[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CCF)[NH+](C)C ZINC001264376085 809646415 /nfs/dbraw/zinc/64/64/15/809646415.db2.gz BREQWYRVVRQCIW-RYUDHWBXSA-N 2 2 259.369 0.829 20 0 CCADLP CCOCC[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001264408267 809653074 /nfs/dbraw/zinc/65/30/74/809653074.db2.gz AVEZNDCPTFKSTR-BETUJISGSA-N 2 2 294.399 0.484 20 0 CCADLP COCCC[NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001264436856 809657037 /nfs/dbraw/zinc/65/70/37/809657037.db2.gz JINQNOKIEIEGAN-JOCQHMNTSA-N 2 2 294.399 0.484 20 0 CCADLP CC[C@@H](C(=O)NCCC[N@@H+](C)Cc1nncn1C)[NH+](C)C ZINC001265036561 809697464 /nfs/dbraw/zinc/69/74/64/809697464.db2.gz GSNANBPIEXSKMC-LBPRGKRZSA-N 2 2 296.419 0.093 20 0 CCADLP COCC[NH2+][C@H]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266075266 809930766 /nfs/dbraw/zinc/93/07/66/809930766.db2.gz KRUNHNLLEYCYKL-STQMWFEESA-N 2 2 294.399 0.924 20 0 CCADLP C[C@@H]1CC[C@H](C[NH2+]CCN(C)C(=O)Cn2cc[nH+]c2)O1 ZINC001267479423 811364338 /nfs/dbraw/zinc/36/43/38/811364338.db2.gz UPBWOFLMUSFWMR-CHWSQXEVSA-N 2 2 280.372 0.499 20 0 CCADLP CCOCC[NH+]1CC(NC(=O)CC[N@@H+](C)CC)C1 ZINC001267664297 811631712 /nfs/dbraw/zinc/63/17/12/811631712.db2.gz BHRGSKWUXAEOQF-UHFFFAOYSA-N 2 2 257.378 0.165 20 0 CCADLP CCOCC[NH+]1CC(NC(=O)CC[N@H+](C)CC)C1 ZINC001267664297 811631708 /nfs/dbraw/zinc/63/17/08/811631708.db2.gz BHRGSKWUXAEOQF-UHFFFAOYSA-N 2 2 257.378 0.165 20 0 CCADLP O=C(N(C1CCC1)C1CCOCC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001161460725 811685964 /nfs/dbraw/zinc/68/59/64/811685964.db2.gz OFQKPVHZGMCPFA-MLGOLLRUSA-N 2 2 293.411 0.498 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N(C2CCC2)C2CCOCC2)C1 ZINC001161461918 811687057 /nfs/dbraw/zinc/68/70/57/811687057.db2.gz VDNGHPKHTHJRDU-MFKMUULPSA-N 2 2 267.373 0.236 20 0 CCADLP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001077259449 815469437 /nfs/dbraw/zinc/46/94/37/815469437.db2.gz RMDJHVNTBKTSBN-JHJVBQTASA-N 2 2 292.383 0.015 20 0 CCADLP CC(C)[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1 ZINC001083570537 815470388 /nfs/dbraw/zinc/47/03/88/815470388.db2.gz BMXWCVXWSXTJGD-KGLIPLIRSA-N 2 2 288.351 0.746 20 0 CCADLP CC(C)[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1 ZINC001083570537 815470392 /nfs/dbraw/zinc/47/03/92/815470392.db2.gz BMXWCVXWSXTJGD-KGLIPLIRSA-N 2 2 288.351 0.746 20 0 CCADLP CC[NH2+][C@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000721706596 811865962 /nfs/dbraw/zinc/86/59/62/811865962.db2.gz VWBFJUDMJOHZQT-NWDGAFQWSA-N 2 2 250.346 0.920 20 0 CCADLP CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001267953843 811891682 /nfs/dbraw/zinc/89/16/82/811891682.db2.gz UDVGVKASQKLPCK-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001267953843 811891691 /nfs/dbraw/zinc/89/16/91/811891691.db2.gz UDVGVKASQKLPCK-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@H](CNC(=O)CCc1c[nH+]cn1C)C[NH2+]CCF ZINC001268010685 811948214 /nfs/dbraw/zinc/94/82/14/811948214.db2.gz DHZLQFCRHGFUSV-NSHDSACASA-N 2 2 270.352 0.664 20 0 CCADLP CC(C)[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@@H](O)C1 ZINC001083583783 815503575 /nfs/dbraw/zinc/50/35/75/815503575.db2.gz RMDJHVNTBKTSBN-UPJWGTAASA-N 2 2 292.383 0.015 20 0 CCADLP CC(C)[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@@H](O)C1 ZINC001083583783 815503577 /nfs/dbraw/zinc/50/35/77/815503577.db2.gz RMDJHVNTBKTSBN-UPJWGTAASA-N 2 2 292.383 0.015 20 0 CCADLP CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)[C@@H](O)C1 ZINC001083584161 815504649 /nfs/dbraw/zinc/50/46/49/815504649.db2.gz JRAAWASYEHOATC-GDLCADMTSA-N 2 2 292.383 0.004 20 0 CCADLP CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)[C@@H](O)C1 ZINC001083584161 815504652 /nfs/dbraw/zinc/50/46/52/815504652.db2.gz JRAAWASYEHOATC-GDLCADMTSA-N 2 2 292.383 0.004 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C1(O)CCCC1 ZINC000905102354 815509831 /nfs/dbraw/zinc/50/98/31/815509831.db2.gz RTXMHUVHARLGGT-KGLIPLIRSA-N 2 2 268.401 0.726 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C1(O)CCCC1 ZINC000905102354 815509837 /nfs/dbraw/zinc/50/98/37/815509837.db2.gz RTXMHUVHARLGGT-KGLIPLIRSA-N 2 2 268.401 0.726 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000336841884 812229765 /nfs/dbraw/zinc/22/97/65/812229765.db2.gz QIPZDXUSTBVWQP-DZGCQCFKSA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000336841884 812229770 /nfs/dbraw/zinc/22/97/70/812229770.db2.gz QIPZDXUSTBVWQP-DZGCQCFKSA-N 2 2 295.427 0.650 20 0 CCADLP COCC[NH2+]C[C@@H](C)N(C)C(=O)CCc1c[nH+]cn1C ZINC001268096890 812252526 /nfs/dbraw/zinc/25/25/26/812252526.db2.gz VNOFVDMDZXYLMP-GFCCVEGCSA-N 2 2 282.388 0.436 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001038935751 812373935 /nfs/dbraw/zinc/37/39/35/812373935.db2.gz PVGGBAJKJWGUDP-NEPJUHHUSA-N 2 2 292.383 0.333 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001038935751 812373943 /nfs/dbraw/zinc/37/39/43/812373943.db2.gz PVGGBAJKJWGUDP-NEPJUHHUSA-N 2 2 292.383 0.333 20 0 CCADLP CCC[NH2+]C[C@@H](O)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001268312158 812474336 /nfs/dbraw/zinc/47/43/36/812474336.db2.gz UMOZCLHMVHWZBJ-GFCCVEGCSA-N 2 2 282.388 0.403 20 0 CCADLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]CCCF)C1 ZINC001279328194 812551009 /nfs/dbraw/zinc/55/10/09/812551009.db2.gz DALQDHILBXFPCF-UHFFFAOYSA-N 2 2 268.336 0.822 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1c1nc(-c2ccccc2-n2ccnc2)no1 ZINC001211755365 812669794 /nfs/dbraw/zinc/66/97/94/812669794.db2.gz JPFKBYYBJJPNHN-RYUDHWBXSA-N 2 2 296.334 0.936 20 0 CCADLP CC(C)[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075643752 812731512 /nfs/dbraw/zinc/73/15/12/812731512.db2.gz KAALQFYBOYQLAV-MJBXVCDLSA-N 2 2 281.400 0.258 20 0 CCADLP CC(C)[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075643752 812731518 /nfs/dbraw/zinc/73/15/18/812731518.db2.gz KAALQFYBOYQLAV-MJBXVCDLSA-N 2 2 281.400 0.258 20 0 CCADLP CC(C)[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001075643752 812731522 /nfs/dbraw/zinc/73/15/22/812731522.db2.gz KAALQFYBOYQLAV-MJBXVCDLSA-N 2 2 281.400 0.258 20 0 CCADLP CC(C)[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001075643752 812731528 /nfs/dbraw/zinc/73/15/28/812731528.db2.gz KAALQFYBOYQLAV-MJBXVCDLSA-N 2 2 281.400 0.258 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC/C=C\C[NH2+]C[C@@H]1CCCOC1 ZINC001268635030 812957320 /nfs/dbraw/zinc/95/73/20/812957320.db2.gz WBHTTXRTYAFVBH-BOPNBLERSA-N 2 2 292.383 0.572 20 0 CCADLP CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001268653199 812982077 /nfs/dbraw/zinc/98/20/77/812982077.db2.gz QMMPLXMZXCAWDR-VXGBXAGGSA-N 2 2 264.373 0.950 20 0 CCADLP C[C@@H](C[NH2+]CC[C@H]1CCCCO1)NC(=O)Cn1cc[nH+]c1 ZINC001268717770 813030978 /nfs/dbraw/zinc/03/09/78/813030978.db2.gz IFXFBTXXPJWQBB-UONOGXRCSA-N 2 2 294.399 0.937 20 0 CCADLP C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc3[nH+]c(N)[nH]c3c1)C2 ZINC001269146547 813238238 /nfs/dbraw/zinc/23/82/38/813238238.db2.gz UUOSLSJGHHGCBN-KOLCDFICSA-N 2 2 285.351 0.921 20 0 CCADLP C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccc3[nH+]c(N)[nH]c3c1)C2 ZINC001269146547 813238240 /nfs/dbraw/zinc/23/82/40/813238240.db2.gz UUOSLSJGHHGCBN-KOLCDFICSA-N 2 2 285.351 0.921 20 0 CCADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC1CC1 ZINC001269517444 813401672 /nfs/dbraw/zinc/40/16/72/813401672.db2.gz XXZNJFCAZVKUQO-GFCCVEGCSA-N 2 2 250.346 0.778 20 0 CCADLP COCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001269812997 813518135 /nfs/dbraw/zinc/51/81/35/813518135.db2.gz ZWWXVEBXSIHNQU-AWEZNQCLSA-N 2 2 283.416 0.650 20 0 CCADLP COCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001269812997 813518141 /nfs/dbraw/zinc/51/81/41/813518141.db2.gz ZWWXVEBXSIHNQU-AWEZNQCLSA-N 2 2 283.416 0.650 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]CCC1CC1 ZINC001126436738 813582959 /nfs/dbraw/zinc/58/29/59/813582959.db2.gz KBWWQTLMTBQUMH-UHFFFAOYSA-N 2 2 250.346 0.848 20 0 CCADLP C[NH+]1CC2(CN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001270448172 813768272 /nfs/dbraw/zinc/76/82/72/813768272.db2.gz ZPJPDHOSOXTFHM-JTQLQIEISA-N 2 2 260.341 0.604 20 0 CCADLP C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001270515215 813792616 /nfs/dbraw/zinc/79/26/16/813792616.db2.gz KYLDNRVWWFJCKZ-AVGNSLFASA-N 2 2 274.368 0.751 20 0 CCADLP C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001270515215 813792623 /nfs/dbraw/zinc/79/26/23/813792623.db2.gz KYLDNRVWWFJCKZ-AVGNSLFASA-N 2 2 274.368 0.751 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]CCF ZINC001270568712 813818426 /nfs/dbraw/zinc/81/84/26/813818426.db2.gz PEJTYKIYOPTZQB-JTQLQIEISA-N 2 2 256.325 0.274 20 0 CCADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CCCF ZINC001271686317 814513760 /nfs/dbraw/zinc/51/37/60/814513760.db2.gz XEBRBAHWYGDNLR-NWDGAFQWSA-N 2 2 282.363 0.996 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(NC3(CO)COC3)c2)C1 ZINC001168179899 814874173 /nfs/dbraw/zinc/87/41/73/814874173.db2.gz REGUVGYPWRLOKN-CYBMUJFWSA-N 2 2 277.368 0.393 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(NC3(CO)COC3)c2)C1 ZINC001168179899 814874181 /nfs/dbraw/zinc/87/41/81/814874181.db2.gz REGUVGYPWRLOKN-CYBMUJFWSA-N 2 2 277.368 0.393 20 0 CCADLP COc1ccc2c(c1)C[C@H]([N@H+](CC[NH3+])CCO)C2 ZINC001168231869 814917428 /nfs/dbraw/zinc/91/74/28/814917428.db2.gz RJGVXEPSCXUPSW-CYBMUJFWSA-N 2 2 250.342 0.415 20 0 CCADLP COc1ccc2c(c1)C[C@H]([N@@H+](CC[NH3+])CCO)C2 ZINC001168231869 814917431 /nfs/dbraw/zinc/91/74/31/814917431.db2.gz RJGVXEPSCXUPSW-CYBMUJFWSA-N 2 2 250.342 0.415 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001030301934 815966936 /nfs/dbraw/zinc/96/69/36/815966936.db2.gz SNZUJAADRHITNN-TZMCWYRMSA-N 2 2 283.416 0.695 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001030301934 815966939 /nfs/dbraw/zinc/96/69/39/815966939.db2.gz SNZUJAADRHITNN-TZMCWYRMSA-N 2 2 283.416 0.695 20 0 CCADLP CC(C)C[NH+]1CC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001030555350 816103860 /nfs/dbraw/zinc/10/38/60/816103860.db2.gz VKXYYDSUTJDPMF-LBPRGKRZSA-N 2 2 276.384 0.902 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001120542505 816118203 /nfs/dbraw/zinc/11/82/03/816118203.db2.gz MMGFTRVXSUDLOW-UHFFFAOYSA-N 3 2 285.436 0.097 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC1C[NH+](CC2CCOCC2)C1 ZINC001030683346 816217071 /nfs/dbraw/zinc/21/70/71/816217071.db2.gz GQFBBKLVQNBPMG-UHFFFAOYSA-N 2 2 292.383 0.419 20 0 CCADLP C[N@@H+]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1cc[nH+]c(N)c1)C2 ZINC001272304672 816290220 /nfs/dbraw/zinc/29/02/20/816290220.db2.gz VZQQUZKYCFFNHL-NEPJUHHUSA-N 2 2 260.341 0.369 20 0 CCADLP C[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1cc[nH+]c(N)c1)C2 ZINC001272304672 816290224 /nfs/dbraw/zinc/29/02/24/816290224.db2.gz VZQQUZKYCFFNHL-NEPJUHHUSA-N 2 2 260.341 0.369 20 0 CCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)C[C@@H]([NH3+])C(F)F ZINC001121923653 816481292 /nfs/dbraw/zinc/48/12/92/816481292.db2.gz PXWINSZWKUEJEJ-NXEZZACHSA-N 2 2 263.332 0.960 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001030956283 816498862 /nfs/dbraw/zinc/49/88/62/816498862.db2.gz XFSLLPKOQYNMCV-RYUDHWBXSA-N 2 2 269.389 0.306 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001030956283 816498867 /nfs/dbraw/zinc/49/88/67/816498867.db2.gz XFSLLPKOQYNMCV-RYUDHWBXSA-N 2 2 269.389 0.306 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001030960332 816505796 /nfs/dbraw/zinc/50/57/96/816505796.db2.gz RGXLFCXLYLVTDQ-NWDGAFQWSA-N 2 2 269.389 0.164 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001030960332 816505799 /nfs/dbraw/zinc/50/57/99/816505799.db2.gz RGXLFCXLYLVTDQ-NWDGAFQWSA-N 2 2 269.389 0.164 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001030963932 816510817 /nfs/dbraw/zinc/51/08/17/816510817.db2.gz CVMXYKALTWBHOC-LBPRGKRZSA-N 2 2 283.416 0.554 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001030963932 816510820 /nfs/dbraw/zinc/51/08/20/816510820.db2.gz CVMXYKALTWBHOC-LBPRGKRZSA-N 2 2 283.416 0.554 20 0 CCADLP C[NH+](C)CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc[nH]n2)C1=O ZINC001272542400 816565936 /nfs/dbraw/zinc/56/59/36/816565936.db2.gz WOTWSUNDMDHFOI-HNNXBMFYSA-N 2 2 291.399 0.538 20 0 CCADLP C[NH+](C)CCN1CC[C@@]2(CCC[N@H+]2Cc2cc[nH]n2)C1=O ZINC001272542400 816565940 /nfs/dbraw/zinc/56/59/40/816565940.db2.gz WOTWSUNDMDHFOI-HNNXBMFYSA-N 2 2 291.399 0.538 20 0 CCADLP CC[NH+]1CC(NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001031083952 816633814 /nfs/dbraw/zinc/63/38/14/816633814.db2.gz PPMFNIWTWCZZKG-CHWSQXEVSA-N 2 2 251.374 0.824 20 0 CCADLP CC[NH+]1CC(NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001031083952 816633817 /nfs/dbraw/zinc/63/38/17/816633817.db2.gz PPMFNIWTWCZZKG-CHWSQXEVSA-N 2 2 251.374 0.824 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)NCC[NH2+]C[C@H](C)O)ccn12 ZINC001127293568 816645582 /nfs/dbraw/zinc/64/55/82/816645582.db2.gz WSCYNKWZOGUBST-NSHDSACASA-N 2 2 276.340 0.343 20 0 CCADLP [NH3+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001122326816 816647438 /nfs/dbraw/zinc/64/74/38/816647438.db2.gz ILKANUQZGNSMDH-QJPTWQEYSA-N 2 2 262.357 0.689 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001031188547 816767003 /nfs/dbraw/zinc/76/70/03/816767003.db2.gz RGVVKPQXVFGVEV-ZDUSSCGKSA-N 2 2 297.443 0.942 20 0 CCADLP CCOCC[NH2+]CC[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001272599529 816773004 /nfs/dbraw/zinc/77/30/04/816773004.db2.gz UMFMXXZCDNEJBR-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001031235271 816866703 /nfs/dbraw/zinc/86/67/03/816866703.db2.gz QADZLYDSRQLVFP-ZFWWWQNUSA-N 2 2 297.443 0.822 20 0 CCADLP CCCC[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001031235271 816866708 /nfs/dbraw/zinc/86/67/08/816866708.db2.gz QADZLYDSRQLVFP-ZFWWWQNUSA-N 2 2 297.443 0.822 20 0 CCADLP Cn1cc([C@@H]2COC3(C2)CC[NH+](CC[NH3+])CC3)cn1 ZINC001235487622 816885804 /nfs/dbraw/zinc/88/58/04/816885804.db2.gz IHNQCRZZARQWMD-LBPRGKRZSA-N 2 2 264.373 0.717 20 0 CCADLP CC[NH+]1CC(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001031257202 816908496 /nfs/dbraw/zinc/90/84/96/816908496.db2.gz MBLGZSZHOKSVIF-YPMHNXCESA-N 2 2 253.390 0.927 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC1C[NH+](CC(C)C)C1 ZINC001031316003 816969190 /nfs/dbraw/zinc/96/91/90/816969190.db2.gz CTZIIVWCFOGAGK-UHFFFAOYSA-N 2 2 250.346 0.717 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)NC2C[NH+](C[C@H]3CCCCO3)C2)C1 ZINC001031385118 817020409 /nfs/dbraw/zinc/02/04/09/817020409.db2.gz VDHPMKNMRHPMOA-TZMCWYRMSA-N 2 2 281.400 0.308 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)NC2C[NH+](C[C@H]3CCCCO3)C2)C1 ZINC001031385118 817020417 /nfs/dbraw/zinc/02/04/17/817020417.db2.gz VDHPMKNMRHPMOA-TZMCWYRMSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@@H]1CC[C@H](C[NH+]2CC(NC(=O)C[NH+]3CCCC3)C2)O1 ZINC001031389215 817023437 /nfs/dbraw/zinc/02/34/37/817023437.db2.gz HDZUSKDKYIVIMC-TZMCWYRMSA-N 2 2 281.400 0.450 20 0 CCADLP CC[NH2+]CCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001127548000 817239185 /nfs/dbraw/zinc/23/91/85/817239185.db2.gz WBXMBEBJZJNFSQ-CHWSQXEVSA-N 2 2 276.384 0.880 20 0 CCADLP O=C(NCC1C[NH+](CCF)C1)C12CCC[NH+]1CCC2 ZINC001031812951 817388096 /nfs/dbraw/zinc/38/80/96/817388096.db2.gz MXKGHFMKZNBVLS-UHFFFAOYSA-N 2 2 269.364 0.632 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2ncc(C)o2)CC[N@@H+]1C ZINC001127690236 817458408 /nfs/dbraw/zinc/45/84/08/817458408.db2.gz IOEBTSSZUQNARN-QWHCGFSZSA-N 2 2 294.399 0.919 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2ncc(C)o2)CC[N@H+]1C ZINC001127690236 817458417 /nfs/dbraw/zinc/45/84/17/817458417.db2.gz IOEBTSSZUQNARN-QWHCGFSZSA-N 2 2 294.399 0.919 20 0 CCADLP COCCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001107078949 817716951 /nfs/dbraw/zinc/71/69/51/817716951.db2.gz PKXCBRWCHSNLJZ-ZIAGYGMSSA-N 2 2 294.399 0.604 20 0 CCADLP CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C12CCC2 ZINC001078782683 818052737 /nfs/dbraw/zinc/05/27/37/818052737.db2.gz DWGMQFFEVDSOFL-QWHCGFSZSA-N 2 2 276.384 1.000 20 0 CCADLP O=C1[C@H]([N@@H+]2CC[C@]3(CC[NH2+]C3)C2)CCN1C1CCOCC1 ZINC000360542338 818443288 /nfs/dbraw/zinc/44/32/88/818443288.db2.gz CKDYIQQZGZMNGX-ZBFHGGJFSA-N 2 2 293.411 0.452 20 0 CCADLP O=C1[C@H]([N@H+]2CC[C@]3(CC[NH2+]C3)C2)CCN1C1CCOCC1 ZINC000360542338 818443294 /nfs/dbraw/zinc/44/32/94/818443294.db2.gz CKDYIQQZGZMNGX-ZBFHGGJFSA-N 2 2 293.411 0.452 20 0 CCADLP COc1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)nc1OC ZINC001168735097 818534001 /nfs/dbraw/zinc/53/40/01/818534001.db2.gz HXBVYWKROQTNAH-UHFFFAOYSA-N 2 2 279.344 0.693 20 0 CCADLP COC(=O)c1cc(C)nc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001168736143 818542107 /nfs/dbraw/zinc/54/21/07/818542107.db2.gz KPLNAEFCWITFLK-UHFFFAOYSA-N 2 2 292.343 0.166 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cnc3c(c2)C[NH2+]CC3)CC1 ZINC001168737263 818562246 /nfs/dbraw/zinc/56/22/46/818562246.db2.gz RFXNPMSHXNCEBQ-UHFFFAOYSA-N 3 2 274.372 0.321 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N(C)[C@H]2CC[N@H+](CCO)C2)c[nH+]1 ZINC001033184424 818634128 /nfs/dbraw/zinc/63/41/28/818634128.db2.gz AGQZDMOUVICTFO-ZDUSSCGKSA-N 2 2 294.399 0.452 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N(C)[C@H]2CC[N@@H+](CCO)C2)c[nH+]1 ZINC001033184424 818634134 /nfs/dbraw/zinc/63/41/34/818634134.db2.gz AGQZDMOUVICTFO-ZDUSSCGKSA-N 2 2 294.399 0.452 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000702097760 819058548 /nfs/dbraw/zinc/05/85/48/819058548.db2.gz GSARXKHKWVSNHH-MCIONIFRSA-N 2 2 254.374 0.554 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000702097760 819058553 /nfs/dbraw/zinc/05/85/53/819058553.db2.gz GSARXKHKWVSNHH-MCIONIFRSA-N 2 2 254.374 0.554 20 0 CCADLP COC[C@@H](C)[N@@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034549175 819241110 /nfs/dbraw/zinc/24/11/10/819241110.db2.gz JGFJMHMCRLJFKH-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP COC[C@@H](C)[N@H+]1CCCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034549175 819241115 /nfs/dbraw/zinc/24/11/15/819241115.db2.gz JGFJMHMCRLJFKH-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP CCOC[C@@H](O)C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705666558 819548653 /nfs/dbraw/zinc/54/86/53/819548653.db2.gz HOIRDKYYFSPVAS-MELADBBJSA-N 2 2 256.390 0.657 20 0 CCADLP CCOC[C@@H](O)C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705666558 819548656 /nfs/dbraw/zinc/54/86/56/819548656.db2.gz HOIRDKYYFSPVAS-MELADBBJSA-N 2 2 256.390 0.657 20 0 CCADLP CCOC[C@@H](O)C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000705666558 819548660 /nfs/dbraw/zinc/54/86/60/819548660.db2.gz HOIRDKYYFSPVAS-MELADBBJSA-N 2 2 256.390 0.657 20 0 CCADLP CCOC[C@@H](O)C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000705666558 819548663 /nfs/dbraw/zinc/54/86/63/819548663.db2.gz HOIRDKYYFSPVAS-MELADBBJSA-N 2 2 256.390 0.657 20 0 CCADLP C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@@H]1[NH2+]CCO ZINC001036115212 819690067 /nfs/dbraw/zinc/69/00/67/819690067.db2.gz LGQNBGZNXRFSJO-STQMWFEESA-N 2 2 294.399 0.172 20 0 CCADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1[NH2+]CCF ZINC001036264374 819717007 /nfs/dbraw/zinc/71/70/07/819717007.db2.gz SSYXOPYLKPXNIS-AAEUAGOBSA-N 2 2 282.363 0.759 20 0 CCADLP O[C@@H](C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)C(F)(F)F ZINC000709995978 819818361 /nfs/dbraw/zinc/81/83/61/819818361.db2.gz LKTICEPKCABDNM-UWVGGRQHSA-N 2 2 252.280 0.985 20 0 CCADLP O[C@@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)C(F)(F)F ZINC000709995978 819818353 /nfs/dbraw/zinc/81/83/53/819818353.db2.gz LKTICEPKCABDNM-UWVGGRQHSA-N 2 2 252.280 0.985 20 0 CCADLP C[NH+](C)C1(CNc2ccc(N)nn2)CC[NH+](C)CC1 ZINC001164210188 820661448 /nfs/dbraw/zinc/66/14/48/820661448.db2.gz AGZSFJILPUNYNK-UHFFFAOYSA-N 2 2 264.377 0.497 20 0 CCADLP CO[C@@H]1C[N@H+](CC=C(C)C)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001081446044 820775960 /nfs/dbraw/zinc/77/59/60/820775960.db2.gz MTGJOCRUWMPGAN-RBSFLKMASA-N 2 2 295.427 0.862 20 0 CCADLP CO[C@@H]1C[N@@H+](CC=C(C)C)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001081446044 820775967 /nfs/dbraw/zinc/77/59/67/820775967.db2.gz MTGJOCRUWMPGAN-RBSFLKMASA-N 2 2 295.427 0.862 20 0 CCADLP CO[C@@H]1C[NH+](CC=C(C)C)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001081446044 820775972 /nfs/dbraw/zinc/77/59/72/820775972.db2.gz MTGJOCRUWMPGAN-RBSFLKMASA-N 2 2 295.427 0.862 20 0 CCADLP CO[C@@H]1C[NH+](CC=C(C)C)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001081446044 820775980 /nfs/dbraw/zinc/77/59/80/820775980.db2.gz MTGJOCRUWMPGAN-RBSFLKMASA-N 2 2 295.427 0.862 20 0 CCADLP C[NH+]1CCC(C(=O)N[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001118793580 820904861 /nfs/dbraw/zinc/90/48/61/820904861.db2.gz NNFOXGOISUSHTG-LBPRGKRZSA-N 2 2 262.357 0.656 20 0 CCADLP Cc1cc(OC2CC[NH2+]CC2)nc(=NOCC[NH3+])[nH]1 ZINC001164414479 820913429 /nfs/dbraw/zinc/91/34/29/820913429.db2.gz IHFBLWJGMCFZTG-UHFFFAOYSA-N 2 2 267.333 0.218 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099809650 821335400 /nfs/dbraw/zinc/33/54/00/821335400.db2.gz KRFYUVLCMHYQQD-NEPJUHHUSA-N 2 2 280.372 0.304 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001099809650 821335409 /nfs/dbraw/zinc/33/54/09/821335409.db2.gz KRFYUVLCMHYQQD-NEPJUHHUSA-N 2 2 280.372 0.304 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@H]2CC[N@@H+](CCCF)C[C@H]21 ZINC001084687194 821350366 /nfs/dbraw/zinc/35/03/66/821350366.db2.gz PXJOBJLRPPOVLF-DGCLKSJQSA-N 2 2 280.347 0.845 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@H]2CC[N@H+](CCCF)C[C@H]21 ZINC001084687194 821350372 /nfs/dbraw/zinc/35/03/72/821350372.db2.gz PXJOBJLRPPOVLF-DGCLKSJQSA-N 2 2 280.347 0.845 20 0 CCADLP COCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001084687110 821350880 /nfs/dbraw/zinc/35/08/80/821350880.db2.gz LXZYGUYFEFILIB-DGCLKSJQSA-N 2 2 278.356 0.131 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[N@H+](CCCO)C[C@H]21 ZINC001084798842 821394637 /nfs/dbraw/zinc/39/46/37/821394637.db2.gz FWDBQWNKJNSEGF-TZMCWYRMSA-N 2 2 292.383 0.176 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[N@@H+](CCCO)C[C@H]21 ZINC001084798842 821394645 /nfs/dbraw/zinc/39/46/45/821394645.db2.gz FWDBQWNKJNSEGF-TZMCWYRMSA-N 2 2 292.383 0.176 20 0 CCADLP CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001085375714 821672024 /nfs/dbraw/zinc/67/20/24/821672024.db2.gz ZQTOMLPRGDOBFN-GHMZBOCLSA-N 2 2 250.346 0.989 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001085682477 821896186 /nfs/dbraw/zinc/89/61/86/821896186.db2.gz VAEFCUHMRRYGTE-GXTWGEPZSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001085682477 821896196 /nfs/dbraw/zinc/89/61/96/821896196.db2.gz VAEFCUHMRRYGTE-GXTWGEPZSA-N 2 2 276.384 0.998 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)C[N@@H+](C)C2CCC2)oc1C ZINC001129526649 837520437 /nfs/dbraw/zinc/52/04/37/837520437.db2.gz MXMRASIBWPUVEN-UHFFFAOYSA-N 2 2 294.399 0.982 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)C[N@H+](C)C2CCC2)oc1C ZINC001129526649 837520446 /nfs/dbraw/zinc/52/04/46/837520446.db2.gz MXMRASIBWPUVEN-UHFFFAOYSA-N 2 2 294.399 0.982 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NCC[NH2+]C[C@@H](C)OC ZINC001130173864 837717668 /nfs/dbraw/zinc/71/76/68/837717668.db2.gz RPXWZKGVFWXSQT-LLVKDONJSA-N 2 2 281.356 0.373 20 0 CCADLP C[C@H](CCCC[NH2+]CCCO)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170483222 837737934 /nfs/dbraw/zinc/73/79/34/837737934.db2.gz KLKUQBFWOCKZSR-CYBMUJFWSA-N 2 2 296.415 0.989 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CCCC[N@@H+]2C)[nH]1 ZINC001130300354 837757745 /nfs/dbraw/zinc/75/77/45/837757745.db2.gz NCQFFSNKJQLJOA-JQWIXIFHSA-N 2 2 294.403 0.364 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CCCC[N@H+]2C)[nH]1 ZINC001130300354 837757750 /nfs/dbraw/zinc/75/77/50/837757750.db2.gz NCQFFSNKJQLJOA-JQWIXIFHSA-N 2 2 294.403 0.364 20 0 CCADLP CCC[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130407167 837786098 /nfs/dbraw/zinc/78/60/98/837786098.db2.gz KRYPMGFHVRCRQE-LLVKDONJSA-N 2 2 250.346 0.561 20 0 CCADLP O=C(NCC[NH2+]CC1CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001130477523 837800890 /nfs/dbraw/zinc/80/08/90/837800890.db2.gz FVUCYTMBOHBOMM-LBPRGKRZSA-N 2 2 262.357 0.561 20 0 CCADLP CO[C@H](C)C[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130477516 837801711 /nfs/dbraw/zinc/80/17/11/837801711.db2.gz FPPXWTHWRQZAKF-NEPJUHHUSA-N 2 2 280.372 0.186 20 0 CCADLP COCCCC[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130481603 837804371 /nfs/dbraw/zinc/80/43/71/837804371.db2.gz XIORFPNNQIIYNB-ZDUSSCGKSA-N 2 2 294.399 0.578 20 0 CCADLP CN(CC[NH3+])CCNc1cc(N2CCCC2)[nH+]cn1 ZINC001170497284 837806248 /nfs/dbraw/zinc/80/62/48/837806248.db2.gz FVWKNOAODMWHRU-UHFFFAOYSA-N 2 2 264.377 0.379 20 0 CCADLP CCOCC[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130484420 837807527 /nfs/dbraw/zinc/80/75/27/837807527.db2.gz MRHSPINYCUDJLN-LBPRGKRZSA-N 2 2 280.372 0.188 20 0 CCADLP O=C(NCC[NH2+]C[C@H]1CCOC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001130488096 837810062 /nfs/dbraw/zinc/81/00/62/837810062.db2.gz MVPIINFIXFNULV-OLZOCXBDSA-N 2 2 292.383 0.188 20 0 CCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[NH2+]CCCF)C2 ZINC001130490729 837811748 /nfs/dbraw/zinc/81/17/48/837811748.db2.gz HEDMUIOLNYHAFA-LLVKDONJSA-N 2 2 282.363 0.888 20 0 CCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[NH2+]CCCF)CC2 ZINC001130490729 837811761 /nfs/dbraw/zinc/81/17/61/837811761.db2.gz HEDMUIOLNYHAFA-LLVKDONJSA-N 2 2 282.363 0.888 20 0 CCADLP CC[C@@H](C[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)OC ZINC001130488160 837812718 /nfs/dbraw/zinc/81/27/18/837812718.db2.gz NHIUXQSGBYCZDC-OCCSQVGLSA-N 2 2 294.399 0.576 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2COC[C@H]2[NH3+])CN1C(=O)OC(C)(C)C ZINC001168813600 836010455 /nfs/dbraw/zinc/01/04/55/836010455.db2.gz VDUXCNCGTAXVAJ-WRWGMCAJSA-N 2 2 285.388 0.700 20 0 CCADLP CC(C)[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001108439702 836109550 /nfs/dbraw/zinc/10/95/50/836109550.db2.gz RSWJYRRNNMRVEN-AWEZNQCLSA-N 2 2 280.372 0.499 20 0 CCADLP CC(C)[N@H+]1CCO[C@@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001108439702 836109554 /nfs/dbraw/zinc/10/95/54/836109554.db2.gz RSWJYRRNNMRVEN-AWEZNQCLSA-N 2 2 280.372 0.499 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc2c(ncnc2Cl)[nH]1 ZINC001169072297 836125615 /nfs/dbraw/zinc/12/56/15/836125615.db2.gz MBHZIXBKIBQBNE-SSDOTTSWSA-N 2 2 292.730 0.659 20 0 CCADLP Cc1c2cc[nH]c2ncc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169073496 836126721 /nfs/dbraw/zinc/12/67/21/836126721.db2.gz JSQYXDIHQRJETF-SNVBAGLBSA-N 2 2 271.324 0.871 20 0 CCADLP COCCOc1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ccn1 ZINC001169073748 836127498 /nfs/dbraw/zinc/12/74/98/836127498.db2.gz BSBQCSXPLIOEDV-LLVKDONJSA-N 2 2 292.339 0.155 20 0 CCADLP Cc1nc2[nH]ccc2cc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169074802 836129072 /nfs/dbraw/zinc/12/90/72/836129072.db2.gz OPAOEZLHQBMUHR-LLVKDONJSA-N 2 2 271.324 0.871 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CCN1C ZINC001169152588 836156324 /nfs/dbraw/zinc/15/63/24/836156324.db2.gz CLRXFPHVIVCEQA-DGAVXFQQSA-N 2 2 281.400 0.401 20 0 CCADLP COC(=O)[C@@H]1C[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CCN1C ZINC001169152588 836156328 /nfs/dbraw/zinc/15/63/28/836156328.db2.gz CLRXFPHVIVCEQA-DGAVXFQQSA-N 2 2 281.400 0.401 20 0 CCADLP COC(=O)[C@@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCN1C ZINC001169152588 836156332 /nfs/dbraw/zinc/15/63/32/836156332.db2.gz CLRXFPHVIVCEQA-DGAVXFQQSA-N 2 2 281.400 0.401 20 0 CCADLP COC(=O)[C@@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCN1C ZINC001169152588 836156338 /nfs/dbraw/zinc/15/63/38/836156338.db2.gz CLRXFPHVIVCEQA-DGAVXFQQSA-N 2 2 281.400 0.401 20 0 CCADLP CC[NH+]1CCC(n2c[nH+]cc2C[C@@H]([NH3+])CO)CC1 ZINC001169230390 836164661 /nfs/dbraw/zinc/16/46/61/836164661.db2.gz ANCAIHMHFGKPFA-LLVKDONJSA-N 3 2 252.362 0.402 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]Cc1cccnc1 ZINC001169205535 836168183 /nfs/dbraw/zinc/16/81/83/836168183.db2.gz ZACLROKYKCYIMX-UHFFFAOYSA-N 2 2 273.340 0.643 20 0 CCADLP Cc1ncc(C[NH2+]CCCNC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC001169204540 836168202 /nfs/dbraw/zinc/16/82/02/836168202.db2.gz OLOWLIMHQBKKKP-UHFFFAOYSA-N 2 2 288.355 0.347 20 0 CCADLP CCOC(=O)[C@H]1CC[C@H](n2cc[nH+]c2CC[NH3+])CO1 ZINC001169317814 836194813 /nfs/dbraw/zinc/19/48/13/836194813.db2.gz CUSZSQZVYRRREA-WDEREUQCSA-N 2 2 267.329 0.668 20 0 CCADLP CCOC(=O)[C@H]1CC[C@@H](n2c[nH+]c(C)c2CC[NH3+])CO1 ZINC001169332616 836227634 /nfs/dbraw/zinc/22/76/34/836227634.db2.gz ZSRJECAQQORUBV-DGCLKSJQSA-N 2 2 281.356 0.976 20 0 CCADLP C[N@@H+]1CC[C@@H](C[NH2+]C2CCC(S(C)(=O)=O)CC2)C1 ZINC001169851176 836462032 /nfs/dbraw/zinc/46/20/32/836462032.db2.gz ABCOVCLDMYADNR-HIFPTAJRSA-N 2 2 274.430 0.884 20 0 CCADLP C[N@H+]1CC[C@@H](C[NH2+]C2CCC(S(C)(=O)=O)CC2)C1 ZINC001169851176 836462035 /nfs/dbraw/zinc/46/20/35/836462035.db2.gz ABCOVCLDMYADNR-HIFPTAJRSA-N 2 2 274.430 0.884 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)C2([NH+](C)C)CCC2)o1 ZINC001129357298 836510028 /nfs/dbraw/zinc/51/00/28/836510028.db2.gz JASSOVRZFGLDSU-UHFFFAOYSA-N 2 2 295.387 0.322 20 0 CCADLP Cc1noc([C@H](C)[NH2+]CCNC(=O)C2([NH+](C)C)CCC2)n1 ZINC001129364378 836526499 /nfs/dbraw/zinc/52/64/99/836526499.db2.gz UXQANFACZGMXGA-JTQLQIEISA-N 2 2 295.387 0.629 20 0 CCADLP C[C@@H]1CCC[C@H](C)N1C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157450897 837015267 /nfs/dbraw/zinc/01/52/67/837015267.db2.gz HKGJJEKFKJJYBY-OPDFLTKYSA-N 2 2 251.374 0.727 20 0 CCADLP Cc1nc(N(C)[C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001113615556 837177749 /nfs/dbraw/zinc/17/77/49/837177749.db2.gz SXGJTMLYEBYAOD-AAEUAGOBSA-N 2 2 291.399 0.678 20 0 CCADLP Cc1nc(N(C)[C@@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001113615556 837177757 /nfs/dbraw/zinc/17/77/57/837177757.db2.gz SXGJTMLYEBYAOD-AAEUAGOBSA-N 2 2 291.399 0.678 20 0 CCADLP CC[C@@H](C(=O)N1CCc2cc[nH+]c(N)c2C1)[NH+](C)C ZINC001170269103 837278108 /nfs/dbraw/zinc/27/81/08/837278108.db2.gz SGSPXEGXHGKRKR-LBPRGKRZSA-N 2 2 262.357 0.889 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCCC(C)(C)[NH3+] ZINC000887278652 837999710 /nfs/dbraw/zinc/99/97/10/837999710.db2.gz JXQQODAAUDOZAB-SNVBAGLBSA-N 2 2 253.350 0.698 20 0 CCADLP Cc1[nH+]ccn1-c1cc(N[C@@H](C)[C@H]2C[NH2+]CCO2)ncn1 ZINC001170562738 838111239 /nfs/dbraw/zinc/11/12/39/838111239.db2.gz JJAYYSSJMBIRMT-CMPLNLGQSA-N 2 2 288.355 0.760 20 0 CCADLP CCCC[NH2+]CCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001131825515 838235876 /nfs/dbraw/zinc/23/58/76/838235876.db2.gz RAGHWCFXPHVEPM-OAHLLOKOSA-N 2 2 297.443 0.993 20 0 CCADLP CCCC[NH2+]CCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001131825515 838235892 /nfs/dbraw/zinc/23/58/92/838235892.db2.gz RAGHWCFXPHVEPM-OAHLLOKOSA-N 2 2 297.443 0.993 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC[NH2+]CC(C)C ZINC001131822924 838236109 /nfs/dbraw/zinc/23/61/09/838236109.db2.gz XYYPEZUNIIMZKE-CQSZACIVSA-N 2 2 285.432 0.849 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC[NH2+]CC(C)C ZINC001131822924 838236118 /nfs/dbraw/zinc/23/61/18/838236118.db2.gz XYYPEZUNIIMZKE-CQSZACIVSA-N 2 2 285.432 0.849 20 0 CCADLP C[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CCO ZINC001132781491 838493857 /nfs/dbraw/zinc/49/38/57/838493857.db2.gz CJLDITDYJGFAOU-CHWSQXEVSA-N 2 2 294.399 0.409 20 0 CCADLP CC(C)C[NH2+]CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001132784076 838494176 /nfs/dbraw/zinc/49/41/76/838494176.db2.gz HDTPEJUDIQZWRG-HNNXBMFYSA-N 2 2 297.443 0.992 20 0 CCADLP CC(C)C[NH2+]CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001132784076 838494178 /nfs/dbraw/zinc/49/41/78/838494178.db2.gz HDTPEJUDIQZWRG-HNNXBMFYSA-N 2 2 297.443 0.992 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)CCC[NH+](C)C)c1csnn1 ZINC001133042587 838540543 /nfs/dbraw/zinc/54/05/43/838540543.db2.gz JYKQMPOEEYBAIJ-JTQLQIEISA-N 2 2 285.417 0.647 20 0 CCADLP C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CCCO ZINC001133194505 838574192 /nfs/dbraw/zinc/57/41/92/838574192.db2.gz GUTPGERBFFHDAJ-CHWSQXEVSA-N 2 2 294.399 0.409 20 0 CCADLP CC[C@@H](C(=O)NCC[NH2+]Cc1nonc1C)[NH+](CC)CC ZINC001133685703 838696224 /nfs/dbraw/zinc/69/62/24/838696224.db2.gz ZXDZHCWCHZEATJ-ZDUSSCGKSA-N 2 2 297.403 0.704 20 0 CCADLP CC[C@H](C(=O)NCC[NH2+]Cc1ncccn1)[NH+](CC)CC ZINC001133684741 838696231 /nfs/dbraw/zinc/69/62/31/838696231.db2.gz MMFLYDHATCBINA-CYBMUJFWSA-N 2 2 293.415 0.803 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)C[N@H+]2CCC[C@@H]2C)o1 ZINC001133833677 838733256 /nfs/dbraw/zinc/73/32/56/838733256.db2.gz CEBPPRBUQPFXER-LBPRGKRZSA-N 2 2 294.399 0.927 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)[nH]1 ZINC001133846105 838747117 /nfs/dbraw/zinc/74/71/17/838747117.db2.gz UFKBLNYHPNHTGX-MNOVXSKESA-N 2 2 294.403 0.222 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)C[N@H+]2CC[C@@H](C)C2)[nH]1 ZINC001133846105 838747121 /nfs/dbraw/zinc/74/71/21/838747121.db2.gz UFKBLNYHPNHTGX-MNOVXSKESA-N 2 2 294.403 0.222 20 0 CCADLP CCN(C)C(=O)C[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001134494884 838993137 /nfs/dbraw/zinc/99/31/37/838993137.db2.gz JSRLPFFOUVDXEY-GFCCVEGCSA-N 2 2 295.387 0.018 20 0 CCADLP C[C@H](C[C@@H](C)[NH2+]CCO)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134549555 839002394 /nfs/dbraw/zinc/00/23/94/839002394.db2.gz TXEJYTKBOCVMNJ-GHMZBOCLSA-N 2 2 268.361 0.208 20 0 CCADLP C[C@H](C[C@@H](C)[NH2+]CCO)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134549555 839002381 /nfs/dbraw/zinc/00/23/81/839002381.db2.gz TXEJYTKBOCVMNJ-GHMZBOCLSA-N 2 2 268.361 0.208 20 0 CCADLP Cc1cc(N[C@H]2C[NH2+]C[C@@H]2CO)cc(OC(F)F)[nH+]1 ZINC001170786736 839143713 /nfs/dbraw/zinc/14/37/13/839143713.db2.gz ADKXLIWYRNHHBH-SCZZXKLOSA-N 2 2 273.283 0.984 20 0 CCADLP OC[C@H]1C[NH2+]C[C@@H]1Nc1cc[nH+]c(OC2CCOCC2)c1 ZINC001170787869 839148236 /nfs/dbraw/zinc/14/82/36/839148236.db2.gz GLDGYAJYEYBSFH-RISCZKNCSA-N 2 2 293.367 0.632 20 0 CCADLP CO[C@H](C)C[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001135080611 839158919 /nfs/dbraw/zinc/15/89/19/839158919.db2.gz YBBBUOKCINARFQ-WDEREUQCSA-N 2 2 268.361 0.329 20 0 CCADLP CO[C@H](C)C[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001135080611 839158920 /nfs/dbraw/zinc/15/89/20/839158920.db2.gz YBBBUOKCINARFQ-WDEREUQCSA-N 2 2 268.361 0.329 20 0 CCADLP CO[C@@H](C)C[NH2+]CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001135080609 839159022 /nfs/dbraw/zinc/15/90/22/839159022.db2.gz YBBBUOKCINARFQ-MNOVXSKESA-N 2 2 268.361 0.329 20 0 CCADLP CO[C@@H](C)C[NH2+]CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001135080609 839159025 /nfs/dbraw/zinc/15/90/25/839159025.db2.gz YBBBUOKCINARFQ-MNOVXSKESA-N 2 2 268.361 0.329 20 0 CCADLP O=C(NCC[NH2+]Cc1cnon1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001135102669 839162423 /nfs/dbraw/zinc/16/24/23/839162423.db2.gz KQUGXUABBFLLFS-OLZOCXBDSA-N 2 2 293.371 0.292 20 0 CCADLP O=C(NCC[NH2+]Cc1cnon1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135102669 839162425 /nfs/dbraw/zinc/16/24/25/839162425.db2.gz KQUGXUABBFLLFS-OLZOCXBDSA-N 2 2 293.371 0.292 20 0 CCADLP CCc1noc(C[NH2+]CCNC(=O)C[NH+](CC)CC)n1 ZINC001135512983 839281111 /nfs/dbraw/zinc/28/11/11/839281111.db2.gz CNPLHRQMZFWPKN-UHFFFAOYSA-N 2 2 283.376 0.180 20 0 CCADLP CO[C@@H](C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1)C1CCC1 ZINC001135757566 839390897 /nfs/dbraw/zinc/39/08/97/839390897.db2.gz FURHLCGWCQZOMU-LBPRGKRZSA-N 2 2 280.372 0.473 20 0 CCADLP CC(C)COCC[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135757936 839391580 /nfs/dbraw/zinc/39/15/80/839391580.db2.gz UYASLXDWVCGXHG-UHFFFAOYSA-N 2 2 268.361 0.331 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CCC[C@@H]1CCOC1 ZINC001135758031 839394620 /nfs/dbraw/zinc/39/46/20/839394620.db2.gz WTDXJPNXQGZAGB-GFCCVEGCSA-N 2 2 280.372 0.475 20 0 CCADLP COCCCCC[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001135758075 839395266 /nfs/dbraw/zinc/39/52/66/839395266.db2.gz XPZIBADWUWQEJP-UHFFFAOYSA-N 2 2 268.361 0.475 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C[NH2+]CCO)[C@H](C)C1 ZINC001185571451 844433100 /nfs/dbraw/zinc/43/31/00/844433100.db2.gz COVTWUXBKBXXIU-DGCLKSJQSA-N 2 2 294.399 0.327 20 0 CCADLP COCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135798491 839419003 /nfs/dbraw/zinc/41/90/03/839419003.db2.gz HSALAYDGRSFIDY-GHMZBOCLSA-N 2 2 268.361 0.472 20 0 CCADLP C[C@H](C[C@H](C)NC(=O)Cc1c[nH+]cn1C)[NH2+]CCF ZINC001135944339 839475104 /nfs/dbraw/zinc/47/51/04/839475104.db2.gz INJVNBOXAWHNGL-MNOVXSKESA-N 2 2 270.352 0.805 20 0 CCADLP Cc1[nH+]cn(-c2ccc(N[C@@H]([NH3+])CCC[NH3+])nn2)c1C ZINC001170897320 839543186 /nfs/dbraw/zinc/54/31/86/839543186.db2.gz MJQTYQDTVPFQEO-LLVKDONJSA-N 3 2 275.360 0.715 20 0 CCADLP F[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCCC2(C1)OCCO2 ZINC001246088774 839603040 /nfs/dbraw/zinc/60/30/40/839603040.db2.gz XJYCBUKWHOQFIC-TUAOUCFPSA-N 2 2 258.337 0.962 20 0 CCADLP C[C@@H](CC(=O)N1CCOCC1)[NH2+]C[C@@H]1CC[C@@H](C)C[NH2+]1 ZINC001246110256 839622614 /nfs/dbraw/zinc/62/26/14/839622614.db2.gz HULYXLJJRNHSBU-RDBSUJKOSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH2+]C2CCS(=O)(=O)CC2)[NH2+]C1 ZINC001246110451 839622623 /nfs/dbraw/zinc/62/26/23/839622623.db2.gz ILUZQURIBQHDND-PWSUYJOCSA-N 2 2 260.403 0.541 20 0 CCADLP COC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN(C2CC2)C(=O)C1 ZINC001246150009 839644413 /nfs/dbraw/zinc/64/44/13/839644413.db2.gz FBTHKMCFSQTZBZ-YPMHNXCESA-N 2 2 297.399 0.400 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001185918119 844474221 /nfs/dbraw/zinc/47/42/21/844474221.db2.gz HKIQLLJDUFVFON-GHMZBOCLSA-N 2 2 266.345 0.178 20 0 CCADLP CCOCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001185926621 844476272 /nfs/dbraw/zinc/47/62/72/844476272.db2.gz YGMKEBAMPNYMPL-LLVKDONJSA-N 2 2 266.345 0.179 20 0 CCADLP C[C@@H](CCCC[NH2+]CCCO)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171152667 839983693 /nfs/dbraw/zinc/98/36/93/839983693.db2.gz SGAWQMNVKAOHRN-ZDUSSCGKSA-N 2 2 296.415 0.989 20 0 CCADLP C[C@@H](CCCC[NH2+]CCCO)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171152667 839983699 /nfs/dbraw/zinc/98/36/99/839983699.db2.gz SGAWQMNVKAOHRN-ZDUSSCGKSA-N 2 2 296.415 0.989 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CCN1 ZINC001246589729 840133353 /nfs/dbraw/zinc/13/33/53/840133353.db2.gz UBTTTXUDFLVZKE-LPWJVIDDSA-N 2 2 287.379 0.431 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CCN1 ZINC001246589729 840133359 /nfs/dbraw/zinc/13/33/59/840133359.db2.gz UBTTTXUDFLVZKE-LPWJVIDDSA-N 2 2 287.379 0.431 20 0 CCADLP COCCCCC[NH2+]CCCNC(=O)Cc1c[nH+]cn1C ZINC001171243464 840186159 /nfs/dbraw/zinc/18/61/59/840186159.db2.gz ANHUJZRYGRONBX-UHFFFAOYSA-N 2 2 296.415 0.875 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCN(CCC[NH+](C)C)CC2)CC[NH2+]1 ZINC001246823943 840265905 /nfs/dbraw/zinc/26/59/05/840265905.db2.gz HVDAKAPQDMJNIV-HUUCEWRRSA-N 3 2 268.449 0.696 20 0 CCADLP C[C@H](O)C[NH2+]CCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001146458470 840304225 /nfs/dbraw/zinc/30/42/25/840304225.db2.gz IAEIGCRUASKQRW-LBPRGKRZSA-N 2 2 288.351 0.573 20 0 CCADLP O=C(NCC[NH2+]CC1CC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC001146519920 840317718 /nfs/dbraw/zinc/31/77/18/840317718.db2.gz PHZZNCMUOBCXRK-UHFFFAOYSA-N 2 2 285.351 0.997 20 0 CCADLP CCO[C@H](C[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001149123143 840322418 /nfs/dbraw/zinc/32/24/18/840322418.db2.gz GDCXBOZAEVXGJL-CQSZACIVSA-N 2 2 294.399 0.782 20 0 CCADLP C[C@H](C[C@H](C)NC(=O)CCCn1cc[nH+]c1)[NH2+]CC(N)=O ZINC001146706807 840347821 /nfs/dbraw/zinc/34/78/21/840347821.db2.gz JEXLWKYPKLRKPI-NEPJUHHUSA-N 2 2 295.387 0.022 20 0 CCADLP C[C@@H]1CC[C@H](N2CC([NH+]3C[C@@H](C)O[C@H](C)C3)C2)C[NH2+]1 ZINC001246986244 840689521 /nfs/dbraw/zinc/68/95/21/840689521.db2.gz GLUCVSFCSKQHFH-SYQHCUMBSA-N 2 2 267.417 0.920 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC[NH2+]Cc2cnon2)C1 ZINC001147834793 840694496 /nfs/dbraw/zinc/69/44/96/840694496.db2.gz MUCLPJYOYZEVHY-DGCLKSJQSA-N 2 2 295.387 0.396 20 0 CCADLP Cc1nc(C)c(C[NH2+]CCNC(=O)Cc2c[nH+]cn2C)o1 ZINC001147871762 840709111 /nfs/dbraw/zinc/70/91/11/840709111.db2.gz LFDXGFMEYTZJMG-UHFFFAOYSA-N 2 2 291.355 0.473 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CCOC1CCC1 ZINC001147871900 840709304 /nfs/dbraw/zinc/70/93/04/840709304.db2.gz QZHAZEPNCIQROM-UHFFFAOYSA-N 2 2 280.372 0.238 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(NC(N)=[NH2+])cc2)C1 ZINC001148652705 840867830 /nfs/dbraw/zinc/86/78/30/840867830.db2.gz YQHBSTOZCGCAMZ-LBPRGKRZSA-N 2 2 291.355 0.052 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(NC(N)=[NH2+])cc2)C1 ZINC001148652705 840867840 /nfs/dbraw/zinc/86/78/40/840867840.db2.gz YQHBSTOZCGCAMZ-LBPRGKRZSA-N 2 2 291.355 0.052 20 0 CCADLP CCCc1noc(C[NH2+]CCNC(=O)C[N@@H+](C)CCC)n1 ZINC001148638141 840873180 /nfs/dbraw/zinc/87/31/80/840873180.db2.gz FFVNXGZJINHARK-UHFFFAOYSA-N 2 2 297.403 0.570 20 0 CCADLP CCCc1noc(C[NH2+]CCNC(=O)C[N@H+](C)CCC)n1 ZINC001148638141 840873189 /nfs/dbraw/zinc/87/31/89/840873189.db2.gz FFVNXGZJINHARK-UHFFFAOYSA-N 2 2 297.403 0.570 20 0 CCADLP O=S1(=O)CCCN1CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000715013337 841243201 /nfs/dbraw/zinc/24/32/01/841243201.db2.gz RQPSIINCHYJGSW-QWHCGFSZSA-N 2 2 287.429 0.096 20 0 CCADLP O=S1(=O)CCCN1CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000715013337 841243215 /nfs/dbraw/zinc/24/32/15/841243215.db2.gz RQPSIINCHYJGSW-QWHCGFSZSA-N 2 2 287.429 0.096 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]2[C@H](CC[N@H+]2CCCO)C1 ZINC001036829362 841334484 /nfs/dbraw/zinc/33/44/84/841334484.db2.gz DAXOEOBYHFYXCI-TZMCWYRMSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]2[C@H](CC[N@@H+]2CCCO)C1 ZINC001036829362 841334493 /nfs/dbraw/zinc/33/44/93/841334493.db2.gz DAXOEOBYHFYXCI-TZMCWYRMSA-N 2 2 292.383 0.257 20 0 CCADLP Cc1nc(NCCNC(=O)[C@@H](C2CC2)[NH+](C)C)cc[nH+]1 ZINC001093943523 841493824 /nfs/dbraw/zinc/49/38/24/841493824.db2.gz UGBODVPOSGHXRF-CYBMUJFWSA-N 2 2 277.372 0.653 20 0 CCADLP O=C1C[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CN1CC1CC1 ZINC000716758354 841678170 /nfs/dbraw/zinc/67/81/70/841678170.db2.gz LMYHYCIJYNXNGP-QNSZCRRISA-N 2 2 275.396 0.583 20 0 CCADLP C[C@H]([NH2+][C@H]1CC(=O)N(CC2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000716782732 841679399 /nfs/dbraw/zinc/67/93/99/841679399.db2.gz XAHZSONWJJRGHK-WCFLWFBJSA-N 2 2 251.374 0.727 20 0 CCADLP C[C@H]1C(=O)NCC[N@@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123290 841854611 /nfs/dbraw/zinc/85/46/11/841854611.db2.gz ZGQCANJTFBBARE-WUHRBBMRSA-N 2 2 251.374 0.822 20 0 CCADLP C[C@H]1C(=O)NCC[N@H+]1[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172123290 841854614 /nfs/dbraw/zinc/85/46/14/841854614.db2.gz ZGQCANJTFBBARE-WUHRBBMRSA-N 2 2 251.374 0.822 20 0 CCADLP C[C@H]1C(=O)NCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172123290 841854625 /nfs/dbraw/zinc/85/46/25/841854625.db2.gz ZGQCANJTFBBARE-WUHRBBMRSA-N 2 2 251.374 0.822 20 0 CCADLP C[C@H]1C(=O)NCC[NH+]1[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172123290 841854633 /nfs/dbraw/zinc/85/46/33/841854633.db2.gz ZGQCANJTFBBARE-WUHRBBMRSA-N 2 2 251.374 0.822 20 0 CCADLP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@H]1CCC[C@H](C(=O)OC)C1 ZINC001172594082 841938913 /nfs/dbraw/zinc/93/89/13/841938913.db2.gz KIQXGVFJQBHZHJ-SDDRHHMPSA-N 2 2 286.372 0.588 20 0 CCADLP CCN(CC)c1cc(NC[C@H]2COCC[NH2+]2)nc[nH+]1 ZINC000258764136 841981918 /nfs/dbraw/zinc/98/19/18/841981918.db2.gz YBKRXTNPWALNMW-NSHDSACASA-N 2 2 265.361 0.723 20 0 CCADLP CC[N@@H+]1CC[C@@H](N[C@@H](Cc2c[nH+]cn2C)C(=O)OC)C1 ZINC001173353912 842052754 /nfs/dbraw/zinc/05/27/54/842052754.db2.gz SAGGTMXFIHHXIY-YPMHNXCESA-N 2 2 280.372 0.188 20 0 CCADLP CCOC(=O)C[C@H]1CC[C@H]([NH2+]C2(C[NH3+])COC2)C1 ZINC001173631168 842121316 /nfs/dbraw/zinc/12/13/16/842121316.db2.gz UHDFJZIKNYQZHK-QWRGUYRKSA-N 2 2 256.346 0.426 20 0 CCADLP CC[C@@H](C[NH2+]CCCNC(=O)Cc1[nH]c[nH+]c1C)OC ZINC001174691898 842200611 /nfs/dbraw/zinc/20/06/11/842200611.db2.gz NMEMYJZCBGTPRB-LBPRGKRZSA-N 2 2 282.388 0.782 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCCC[NH2+]CCCF ZINC001175002436 842223446 /nfs/dbraw/zinc/22/34/46/842223446.db2.gz IBSBOVYUKOUDNB-UHFFFAOYSA-N 2 2 270.352 0.808 20 0 CCADLP Cc1cnc(C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)nc1 ZINC001177404908 842578893 /nfs/dbraw/zinc/57/88/93/842578893.db2.gz JDEVYGAOBMXIOW-UHFFFAOYSA-N 2 2 288.355 0.278 20 0 CCADLP CO[C@@H](C[NH2+]CCCNC(=O)Cn1cc[nH+]c1)C1CCC1 ZINC001177405971 842579275 /nfs/dbraw/zinc/57/92/75/842579275.db2.gz UNLIZWMNIMYSSR-AWEZNQCLSA-N 2 2 294.399 0.794 20 0 CCADLP C[C@H]([NH2+]CCCNC(=O)Cn1cc[nH+]c1)c1cnccn1 ZINC001177406293 842580882 /nfs/dbraw/zinc/58/08/82/842580882.db2.gz VSJDXXLGGVYBIP-LBPRGKRZSA-N 2 2 288.355 0.530 20 0 CCADLP C[C@H]([NH2+]CCCNC(=O)Cn1cc[nH+]c1)c1csnn1 ZINC001177406547 842581528 /nfs/dbraw/zinc/58/15/28/842581528.db2.gz ZTVKMEJWNVXUPD-JTQLQIEISA-N 2 2 294.384 0.592 20 0 CCADLP CN(CC(=O)N1CC(C)([NH+](C)C)C1)c1cccc[nH+]1 ZINC001177409829 842583591 /nfs/dbraw/zinc/58/35/91/842583591.db2.gz AJQWNBRHXFZILG-UHFFFAOYSA-N 2 2 262.357 0.680 20 0 CCADLP COC[C@H](C)[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177415175 842587041 /nfs/dbraw/zinc/58/70/41/842587041.db2.gz PRALUSZURWVKQC-NSHDSACASA-N 2 2 254.334 0.014 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCC12CC[NH+](CC1)CC2 ZINC001177998700 842723257 /nfs/dbraw/zinc/72/32/57/842723257.db2.gz YUEFYKZQXHTQQS-UHFFFAOYSA-N 2 2 262.357 0.944 20 0 CCADLP CC(C)=CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001178414032 842845536 /nfs/dbraw/zinc/84/55/36/842845536.db2.gz DBMVGUJQOIMZOQ-SOUVJXGZSA-N 2 2 295.427 0.862 20 0 CCADLP CC(C)=CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001178414032 842845542 /nfs/dbraw/zinc/84/55/42/842845542.db2.gz DBMVGUJQOIMZOQ-SOUVJXGZSA-N 2 2 295.427 0.862 20 0 CCADLP CCOCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001179929129 843082379 /nfs/dbraw/zinc/08/23/79/843082379.db2.gz DIBWETOLFNYHHV-JSGCOSHPSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@@H](C(=O)NCCc1cn(C)c[nH+]1)[NH+]1CCCC1 ZINC001180581769 843198697 /nfs/dbraw/zinc/19/86/97/843198697.db2.gz COHOJXOVAYSOPH-NSHDSACASA-N 2 2 250.346 0.563 20 0 CCADLP O=C(CC12CCC[NH+]1CCC2)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001181108123 843401928 /nfs/dbraw/zinc/40/19/28/843401928.db2.gz GHNCRKGPZDPNRJ-CYBMUJFWSA-N 2 2 292.383 0.448 20 0 CCADLP O=C(CC12CCC[NH+]1CCC2)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001181108123 843401935 /nfs/dbraw/zinc/40/19/35/843401935.db2.gz GHNCRKGPZDPNRJ-CYBMUJFWSA-N 2 2 292.383 0.448 20 0 CCADLP Nc1cc(CC(=O)NCC23CC[NH+](CC2)CC3)cc[nH+]1 ZINC001181279648 843442324 /nfs/dbraw/zinc/44/23/24/843442324.db2.gz MSELMEKBXOBVOC-UHFFFAOYSA-N 2 2 274.368 0.808 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(N3CCCC3)o2)C[C@H]1O ZINC001206464446 843622332 /nfs/dbraw/zinc/62/23/32/843622332.db2.gz OOYMXVJTOWNZIA-WCQYABFASA-N 2 2 265.357 0.631 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)o2)C[C@H]1O ZINC001206464446 843622337 /nfs/dbraw/zinc/62/23/37/843622337.db2.gz OOYMXVJTOWNZIA-WCQYABFASA-N 2 2 265.357 0.631 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001182018339 843695902 /nfs/dbraw/zinc/69/59/02/843695902.db2.gz VQFRLCJTFVKGNH-AWEZNQCLSA-N 2 2 292.383 0.488 20 0 CCADLP COC(=O)c1ccc(OC)c(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206519137 843845899 /nfs/dbraw/zinc/84/58/99/843845899.db2.gz IYYFTFGKKKCSQK-STQMWFEESA-N 2 2 294.351 0.233 20 0 CCADLP COC(=O)c1ccc(OC)c(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206519137 843845906 /nfs/dbraw/zinc/84/59/06/843845906.db2.gz IYYFTFGKKKCSQK-STQMWFEESA-N 2 2 294.351 0.233 20 0 CCADLP C[C@@H](F)CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001187091142 844649656 /nfs/dbraw/zinc/64/96/56/844649656.db2.gz GKJSIOBXBCVURW-VXGBXAGGSA-N 2 2 282.363 0.901 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001188346834 844872026 /nfs/dbraw/zinc/87/20/26/844872026.db2.gz YBHSCAMHSDDTLI-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP C[N@H+](CCCO)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189873873 845241893 /nfs/dbraw/zinc/24/18/93/845241893.db2.gz HFFIOGUUYASUAL-GFCCVEGCSA-N 2 2 280.372 0.257 20 0 CCADLP C[N@@H+](CCCO)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189873873 845241904 /nfs/dbraw/zinc/24/19/04/845241904.db2.gz HFFIOGUUYASUAL-GFCCVEGCSA-N 2 2 280.372 0.257 20 0 CCADLP CCOCC[N@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001191632358 845698831 /nfs/dbraw/zinc/69/88/31/845698831.db2.gz GZKTVBYPLZDAQN-CQSZACIVSA-N 2 2 294.399 0.842 20 0 CCADLP CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001191632358 845698834 /nfs/dbraw/zinc/69/88/34/845698834.db2.gz GZKTVBYPLZDAQN-CQSZACIVSA-N 2 2 294.399 0.842 20 0 CCADLP CCN(CC[NH2+]C[C@H]1CC[C@H](C)O1)C(=O)Cc1c[nH+]c[nH]1 ZINC001273628328 845757134 /nfs/dbraw/zinc/75/71/34/845757134.db2.gz DSQXLAWAHMJXHF-GXTWGEPZSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@@H](O)CCC[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192551479 845865736 /nfs/dbraw/zinc/86/57/36/845865736.db2.gz PRWQNXAHKKWEKT-OCCSQVGLSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@@H](O)CCC[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192551479 845865745 /nfs/dbraw/zinc/86/57/45/845865745.db2.gz PRWQNXAHKKWEKT-OCCSQVGLSA-N 2 2 294.399 0.646 20 0 CCADLP COCCC[N@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193693944 846144545 /nfs/dbraw/zinc/14/45/45/846144545.db2.gz AHEQOOCPLPPCDV-CYBMUJFWSA-N 2 2 294.399 0.830 20 0 CCADLP COCCC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193693944 846144553 /nfs/dbraw/zinc/14/45/53/846144553.db2.gz AHEQOOCPLPPCDV-CYBMUJFWSA-N 2 2 294.399 0.830 20 0 CCADLP COC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194457881 846294494 /nfs/dbraw/zinc/29/44/94/846294494.db2.gz CMRGEHLLGZGPDD-OLZOCXBDSA-N 2 2 280.372 0.451 20 0 CCADLP COC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194457881 846294507 /nfs/dbraw/zinc/29/45/07/846294507.db2.gz CMRGEHLLGZGPDD-OLZOCXBDSA-N 2 2 280.372 0.451 20 0 CCADLP CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001196827221 846807178 /nfs/dbraw/zinc/80/71/78/846807178.db2.gz WIVBMBVAWZXJPP-MRVWCRGKSA-N 2 2 294.399 0.550 20 0 CCADLP CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001196827221 846807187 /nfs/dbraw/zinc/80/71/87/846807187.db2.gz WIVBMBVAWZXJPP-MRVWCRGKSA-N 2 2 294.399 0.550 20 0 CCADLP CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001196827221 846807193 /nfs/dbraw/zinc/80/71/93/846807193.db2.gz WIVBMBVAWZXJPP-MRVWCRGKSA-N 2 2 294.399 0.550 20 0 CCADLP CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001196827221 846807203 /nfs/dbraw/zinc/80/72/03/846807203.db2.gz WIVBMBVAWZXJPP-MRVWCRGKSA-N 2 2 294.399 0.550 20 0 CCADLP CN(C)C(=O)OCC[N@H+](C)CCCn1cc[nH+]c1 ZINC000160152540 846826424 /nfs/dbraw/zinc/82/64/24/846826424.db2.gz CNBLLRZZRXDXQH-UHFFFAOYSA-N 2 2 254.334 0.903 20 0 CCADLP CN(C)C(=O)OCC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000160152540 846826434 /nfs/dbraw/zinc/82/64/34/846826434.db2.gz CNBLLRZZRXDXQH-UHFFFAOYSA-N 2 2 254.334 0.903 20 0 CCADLP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](C/C=C\Cl)C[C@H]1O ZINC001197493632 846929746 /nfs/dbraw/zinc/92/97/46/846929746.db2.gz VLNPJIIGKMELRD-CZVUKNJHSA-N 2 2 289.807 0.242 20 0 CCADLP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](C/C=C\Cl)C[C@H]1O ZINC001197493632 846929750 /nfs/dbraw/zinc/92/97/50/846929750.db2.gz VLNPJIIGKMELRD-CZVUKNJHSA-N 2 2 289.807 0.242 20 0 CCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O ZINC001197493632 846929754 /nfs/dbraw/zinc/92/97/54/846929754.db2.gz VLNPJIIGKMELRD-CZVUKNJHSA-N 2 2 289.807 0.242 20 0 CCADLP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001197493632 846929759 /nfs/dbraw/zinc/92/97/59/846929759.db2.gz VLNPJIIGKMELRD-CZVUKNJHSA-N 2 2 289.807 0.242 20 0 CCADLP CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001198276092 847078253 /nfs/dbraw/zinc/07/82/53/847078253.db2.gz OAWSSHWMLMBOPS-ZIAGYGMSSA-N 2 2 294.399 0.314 20 0 CCADLP CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001198276092 847078259 /nfs/dbraw/zinc/07/82/59/847078259.db2.gz OAWSSHWMLMBOPS-ZIAGYGMSSA-N 2 2 294.399 0.314 20 0 CCADLP CCc1noc(C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C)n1 ZINC001152432181 847083856 /nfs/dbraw/zinc/08/38/56/847083856.db2.gz IKOFHYBYPZOESR-UHFFFAOYSA-N 2 2 283.376 0.178 20 0 CCADLP Cc1nc(N2CC[C@@](C)(NC(=O)CC[NH+](C)C)C2)cc[nH+]1 ZINC001110811821 848008820 /nfs/dbraw/zinc/00/88/20/848008820.db2.gz YGVDLEHGAXVAQL-OAHLLOKOSA-N 2 2 291.399 0.822 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC001253187085 848153149 /nfs/dbraw/zinc/15/31/49/848153149.db2.gz BRNMLMORDAGXID-ZIAGYGMSSA-N 2 2 281.404 0.618 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC001253187085 848153152 /nfs/dbraw/zinc/15/31/52/848153152.db2.gz BRNMLMORDAGXID-ZIAGYGMSSA-N 2 2 281.404 0.618 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC001137894720 848215408 /nfs/dbraw/zinc/21/54/08/848215408.db2.gz ZFVWSRBFUFIWJB-WDEREUQCSA-N 2 2 250.346 0.812 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC001137894720 848215414 /nfs/dbraw/zinc/21/54/14/848215414.db2.gz ZFVWSRBFUFIWJB-WDEREUQCSA-N 2 2 250.346 0.812 20 0 CCADLP C[N@@H+]1CCC12CN(C(=O)c1cn(-c3cc[nH+]cc3)cn1)C2 ZINC001274212928 848376316 /nfs/dbraw/zinc/37/63/16/848376316.db2.gz FIHJSMJOSYJMOX-UHFFFAOYSA-N 2 2 283.335 0.797 20 0 CCADLP C[N@H+]1CCC12CN(C(=O)c1cn(-c3cc[nH+]cc3)cn1)C2 ZINC001274212928 848376320 /nfs/dbraw/zinc/37/63/20/848376320.db2.gz FIHJSMJOSYJMOX-UHFFFAOYSA-N 2 2 283.335 0.797 20 0 CCADLP COCC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001274258713 848432858 /nfs/dbraw/zinc/43/28/58/848432858.db2.gz BKQZPCBEDMPPBS-JQWIXIFHSA-N 2 2 266.345 0.035 20 0 CCADLP CNc1ncccc1C[NH+]1CC2(CN(CC[NH+](C)C)C2)C1 ZINC001275626558 848777179 /nfs/dbraw/zinc/77/71/79/848777179.db2.gz OTEUPEWCJBZLEF-UHFFFAOYSA-N 2 2 289.427 0.803 20 0 CCADLP CC[NH2+]CCCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001276084874 848919132 /nfs/dbraw/zinc/91/91/32/848919132.db2.gz PZTNJLKRSGQJLM-LBPRGKRZSA-N 2 2 264.373 0.904 20 0 CCADLP C[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4c[nH]cn4)CC3)[C@H]2C1 ZINC001276203115 848960002 /nfs/dbraw/zinc/96/00/02/848960002.db2.gz KXULLNXWESBIRH-STQMWFEESA-N 2 2 289.383 0.052 20 0 CCADLP C[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4c[nH]cn4)CC3)[C@H]2C1 ZINC001276203115 848960010 /nfs/dbraw/zinc/96/00/10/848960010.db2.gz KXULLNXWESBIRH-STQMWFEESA-N 2 2 289.383 0.052 20 0 CCADLP C[C@@H]1CC[C@H](C[NH2+]CCCN(C)C(=O)Cc2c[nH+]c[nH]2)O1 ZINC001276245897 848971218 /nfs/dbraw/zinc/97/12/18/848971218.db2.gz YTQJCOAGCSYBCS-TZMCWYRMSA-N 2 2 294.399 0.958 20 0 CCADLP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1cncnc1)C2 ZINC001276301505 849167856 /nfs/dbraw/zinc/16/78/56/849167856.db2.gz AVDBZHCNPLQNDQ-UHFFFAOYSA-N 2 2 261.373 0.156 20 0 CCADLP COC(=O)CC[C@H](C)[NH2+]C1(CO)CC[NH+](C)CC1 ZINC001258362922 849252508 /nfs/dbraw/zinc/25/25/08/849252508.db2.gz AYAOEZDDORSMQS-NSHDSACASA-N 2 2 258.362 0.374 20 0 CCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1cccc(=O)[nH]1 ZINC001276356140 849445601 /nfs/dbraw/zinc/44/56/01/849445601.db2.gz GYQWFTDDAIMHSK-OKILXGFUSA-N 2 2 276.384 0.607 20 0 CCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1cccc(=O)[nH]1 ZINC001276356140 849445604 /nfs/dbraw/zinc/44/56/04/849445604.db2.gz GYQWFTDDAIMHSK-OKILXGFUSA-N 2 2 276.384 0.607 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000720482261 849473839 /nfs/dbraw/zinc/47/38/39/849473839.db2.gz PRPKFLIKLMCZIQ-XGUBFFRZSA-N 2 2 286.416 0.567 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000720482261 849473845 /nfs/dbraw/zinc/47/38/45/849473845.db2.gz PRPKFLIKLMCZIQ-XGUBFFRZSA-N 2 2 286.416 0.567 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000720482261 849473847 /nfs/dbraw/zinc/47/38/47/849473847.db2.gz PRPKFLIKLMCZIQ-XGUBFFRZSA-N 2 2 286.416 0.567 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000720482261 849473851 /nfs/dbraw/zinc/47/38/51/849473851.db2.gz PRPKFLIKLMCZIQ-XGUBFFRZSA-N 2 2 286.416 0.567 20 0 CCADLP C[C@@H](C(=O)NC1CCCC1)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720813175 849542921 /nfs/dbraw/zinc/54/29/21/849542921.db2.gz WOGMWLJFUWNQFJ-SLEUVZQESA-N 2 2 265.401 0.975 20 0 CCADLP C[C@@H](C(=O)NC1CCCC1)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720813175 849542926 /nfs/dbraw/zinc/54/29/26/849542926.db2.gz WOGMWLJFUWNQFJ-SLEUVZQESA-N 2 2 265.401 0.975 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001038444254 849903204 /nfs/dbraw/zinc/90/32/04/849903204.db2.gz ZJYHHLIMWVNAQZ-JTQLQIEISA-N 2 2 266.345 0.560 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001038444254 849903210 /nfs/dbraw/zinc/90/32/10/849903210.db2.gz ZJYHHLIMWVNAQZ-JTQLQIEISA-N 2 2 266.345 0.560 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001038462209 849912351 /nfs/dbraw/zinc/91/23/51/849912351.db2.gz KVPFNNFHGHTIHF-YPMHNXCESA-N 2 2 288.351 0.519 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001038462209 849912365 /nfs/dbraw/zinc/91/23/65/849912365.db2.gz KVPFNNFHGHTIHF-YPMHNXCESA-N 2 2 288.351 0.519 20 0 CCADLP Cc1nocc1C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039006042 850117267 /nfs/dbraw/zinc/11/72/67/850117267.db2.gz JLAAKQMMDCRXQL-TZMCWYRMSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1nocc1C[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001039006042 850117274 /nfs/dbraw/zinc/11/72/74/850117274.db2.gz JLAAKQMMDCRXQL-TZMCWYRMSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1nocc1C[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039006042 850117281 /nfs/dbraw/zinc/11/72/81/850117281.db2.gz JLAAKQMMDCRXQL-TZMCWYRMSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1nocc1C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039006042 850117290 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CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC001044758266 851153990 /nfs/dbraw/zinc/15/39/90/851153990.db2.gz YENCBHZCSJUDKG-QWRGUYRKSA-N 2 2 250.346 0.941 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCF)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001044805238 851161448 /nfs/dbraw/zinc/16/14/48/851161448.db2.gz GMSBDVCPOFTBFB-MNOVXSKESA-N 2 2 268.336 0.891 20 0 CCADLP CC[NH2+]C[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001045142642 851215603 /nfs/dbraw/zinc/21/56/03/851215603.db2.gz MFNYDAMHNUMPEE-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP CC(=O)C1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000394092223 851313266 /nfs/dbraw/zinc/31/32/66/851313266.db2.gz JOYVWAWSDYATKB-CQSZACIVSA-N 2 2 254.374 0.744 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N[C@]2(C)CC[NH+](CC3CCC3)C2)C1 ZINC001046216361 851428419 /nfs/dbraw/zinc/42/84/19/851428419.db2.gz AZKLCBOEYGBYAB-GDBMZVCRSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N[C@]2(C)CC[NH+](CC3CCC3)C2)C1 ZINC001046216361 851428421 /nfs/dbraw/zinc/42/84/21/851428421.db2.gz AZKLCBOEYGBYAB-GDBMZVCRSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N[C@]2(C)CC[N@H+](CC3CCC3)C2)C1 ZINC001046216361 851428423 /nfs/dbraw/zinc/42/84/23/851428423.db2.gz AZKLCBOEYGBYAB-GDBMZVCRSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N[C@]2(C)CC[N@@H+](CC3CCC3)C2)C1 ZINC001046216361 851428424 /nfs/dbraw/zinc/42/84/24/851428424.db2.gz AZKLCBOEYGBYAB-GDBMZVCRSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@H+](CCO)C1 ZINC001046393277 851486282 /nfs/dbraw/zinc/48/62/82/851486282.db2.gz DSCXSHWRJMCQEO-GYSYKLTISA-N 2 2 278.356 0.086 20 0 CCADLP C[C@]1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@@H+](CCO)C1 ZINC001046393277 851486283 /nfs/dbraw/zinc/48/62/83/851486283.db2.gz DSCXSHWRJMCQEO-GYSYKLTISA-N 2 2 278.356 0.086 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCF)C2 ZINC001047169447 851677762 /nfs/dbraw/zinc/67/77/62/851677762.db2.gz USQAMYXDARYSQP-TUAOUCFPSA-N 2 2 280.347 0.891 20 0 CCADLP 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CCC[N@H+]1CCOC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001051206824 853546670 /nfs/dbraw/zinc/54/66/70/853546670.db2.gz CLEFPAOFJJTPIT-CYBMUJFWSA-N 2 2 281.400 0.309 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCO[C@H](C[NH2+]CC2CC2)C1 ZINC001051948306 853661287 /nfs/dbraw/zinc/66/12/87/853661287.db2.gz KVETVJLCVGJWHK-CYBMUJFWSA-N 2 2 278.356 0.110 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCCO)C1 ZINC001072029606 854338234 /nfs/dbraw/zinc/33/82/34/854338234.db2.gz IOYZERSNLUKLJL-YPMHNXCESA-N 2 2 294.399 0.612 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCCO)C1 ZINC001072029606 854338238 /nfs/dbraw/zinc/33/82/38/854338238.db2.gz IOYZERSNLUKLJL-YPMHNXCESA-N 2 2 294.399 0.612 20 0 CCADLP COCC[N@@H+]1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001072673130 854444158 /nfs/dbraw/zinc/44/41/58/854444158.db2.gz BJGSMMPKXJSNQI-UHFFFAOYSA-N 2 2 292.383 0.523 20 0 CCADLP COCC[N@H+]1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001072673130 854444160 /nfs/dbraw/zinc/44/41/60/854444160.db2.gz BJGSMMPKXJSNQI-UHFFFAOYSA-N 2 2 292.383 0.523 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001100138656 855106818 /nfs/dbraw/zinc/10/68/18/855106818.db2.gz JUTPRBFZAIVSFZ-OLZOCXBDSA-N 2 2 280.372 0.235 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001100138656 855106820 /nfs/dbraw/zinc/10/68/20/855106820.db2.gz JUTPRBFZAIVSFZ-OLZOCXBDSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H]2CCCS(=O)(=O)C2)CC[C@H]1[NH3+] ZINC001118197612 856195828 /nfs/dbraw/zinc/19/58/28/856195828.db2.gz VLKHQZVMONVNLB-IJLUTSLNSA-N 2 2 260.403 0.480 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H]2CCCS(=O)(=O)C2)CC[C@H]1[NH3+] ZINC001118197612 856195832 /nfs/dbraw/zinc/19/58/32/856195832.db2.gz VLKHQZVMONVNLB-IJLUTSLNSA-N 2 2 260.403 0.480 20 0 CCADLP O=C1NC(=O)[C@]2(CCC[N@H+](Cc3c[nH+]c4n3CCC4)C2)N1 ZINC001118639052 856375780 /nfs/dbraw/zinc/37/57/80/856375780.db2.gz KOZMZDGHQYCHCL-CQSZACIVSA-N 2 2 289.339 0.003 20 0 CCADLP O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3c[nH+]c4n3CCC4)C2)N1 ZINC001118639052 856375784 /nfs/dbraw/zinc/37/57/84/856375784.db2.gz KOZMZDGHQYCHCL-CQSZACIVSA-N 2 2 289.339 0.003 20 0 CCADLP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001119232994 856590918 /nfs/dbraw/zinc/59/09/18/856590918.db2.gz OCSPCHPRRLFLAG-QJPTWQEYSA-N 2 2 262.357 0.971 20 0 CCADLP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001119232994 856590921 /nfs/dbraw/zinc/59/09/21/856590921.db2.gz OCSPCHPRRLFLAG-QJPTWQEYSA-N 2 2 262.357 0.971 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC001119482246 856701689 /nfs/dbraw/zinc/70/16/89/856701689.db2.gz HGPARFGTYMDIHW-ZDUSSCGKSA-N 2 2 263.345 0.315 20 0 CCADLP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001119592502 856762861 /nfs/dbraw/zinc/76/28/61/856762861.db2.gz HGUAPZZSPXDDMZ-NWDGAFQWSA-N 2 2 250.346 0.941 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC001120476819 857083025 /nfs/dbraw/zinc/08/30/25/857083025.db2.gz XYKKCJLAXWXRQV-CYBMUJFWSA-N 2 2 253.390 0.881 20 0 CCADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC001120476819 857083038 /nfs/dbraw/zinc/08/30/38/857083038.db2.gz XYKKCJLAXWXRQV-CYBMUJFWSA-N 2 2 253.390 0.881 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@H+]1CCOC(C)C ZINC001392871742 912224036 /nfs/dbraw/zinc/22/40/36/912224036.db2.gz NYWGLUNWILHJQT-AWEZNQCLSA-N 2 2 294.399 0.807 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@@H+]1CCOC(C)C ZINC001392871742 912224051 /nfs/dbraw/zinc/22/40/51/912224051.db2.gz NYWGLUNWILHJQT-AWEZNQCLSA-N 2 2 294.399 0.807 20 0 CCADLP CCOCCC[N@@H+]1CC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001323337186 912283365 /nfs/dbraw/zinc/28/33/65/912283365.db2.gz VTLTZPLFKMDLIQ-ZDUSSCGKSA-N 2 2 294.399 0.580 20 0 CCADLP CCOCCC[N@H+]1CC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001323337186 912283380 /nfs/dbraw/zinc/28/33/80/912283380.db2.gz VTLTZPLFKMDLIQ-ZDUSSCGKSA-N 2 2 294.399 0.580 20 0 CCADLP COC[C@H](C)[NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001393472247 912591375 /nfs/dbraw/zinc/59/13/75/912591375.db2.gz GMNIDIPPANGJOP-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP CCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001393522008 912626489 /nfs/dbraw/zinc/62/64/89/912626489.db2.gz PMRYYGVOZQTHTB-QWHCGFSZSA-N 2 2 271.405 0.554 20 0 CCADLP CCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001393522008 912626494 /nfs/dbraw/zinc/62/64/94/912626494.db2.gz PMRYYGVOZQTHTB-QWHCGFSZSA-N 2 2 271.405 0.554 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@@H+]1CCO ZINC001393788684 912763576 /nfs/dbraw/zinc/76/35/76/912763576.db2.gz UUFUOWHYMDSJGZ-STQMWFEESA-N 2 2 280.372 0.235 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@H+]1CCO ZINC001393788684 912763590 /nfs/dbraw/zinc/76/35/90/912763590.db2.gz UUFUOWHYMDSJGZ-STQMWFEESA-N 2 2 280.372 0.235 20 0 CCADLP CC(=O)N(C)C1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC001324343841 912793674 /nfs/dbraw/zinc/79/36/74/912793674.db2.gz JVZDOHJWEFNVNN-UHFFFAOYSA-N 2 2 264.373 0.905 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001394154578 913054746 /nfs/dbraw/zinc/05/47/46/913054746.db2.gz KINLMZRLYUYFHF-AWEZNQCLSA-N 2 2 297.443 0.680 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001394154578 913054761 /nfs/dbraw/zinc/05/47/61/913054761.db2.gz KINLMZRLYUYFHF-AWEZNQCLSA-N 2 2 297.443 0.680 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001394281011 913113702 /nfs/dbraw/zinc/11/37/02/913113702.db2.gz HDWOECCRDBBAIM-STQMWFEESA-N 2 2 294.399 0.481 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001394281011 913113705 /nfs/dbraw/zinc/11/37/05/913113705.db2.gz HDWOECCRDBBAIM-STQMWFEESA-N 2 2 294.399 0.481 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C(C)(C)C ZINC001394818839 913451094 /nfs/dbraw/zinc/45/10/94/913451094.db2.gz BQSNLXAJUXVPNX-DGCLKSJQSA-N 2 2 296.415 0.844 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C(C)(C)C ZINC001394818839 913451112 /nfs/dbraw/zinc/45/11/12/913451112.db2.gz BQSNLXAJUXVPNX-DGCLKSJQSA-N 2 2 296.415 0.844 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[N@H+](CC1CC1)C1CC1 ZINC001481188230 892286179 /nfs/dbraw/zinc/28/61/79/892286179.db2.gz KXBDQFGNVYMENT-UHFFFAOYSA-N 2 2 262.357 0.943 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[N@@H+](CC1CC1)C1CC1 ZINC001481188230 892286195 /nfs/dbraw/zinc/28/61/95/892286195.db2.gz KXBDQFGNVYMENT-UHFFFAOYSA-N 2 2 262.357 0.943 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)CC[NH2+][C@@H](C)c1ncccn1 ZINC001481306695 892560191 /nfs/dbraw/zinc/56/01/91/892560191.db2.gz ZHUWISIPEXDMIV-ZDUSSCGKSA-N 2 2 293.415 0.927 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)CC[NH2+][C@@H](C)c1ncccn1 ZINC001481306695 892560203 /nfs/dbraw/zinc/56/02/03/892560203.db2.gz ZHUWISIPEXDMIV-ZDUSSCGKSA-N 2 2 293.415 0.927 20 0 CCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1C[NH3+] ZINC001341874927 892608792 /nfs/dbraw/zinc/60/87/92/892608792.db2.gz DONRAWFGFFTVAQ-VXGBXAGGSA-N 2 2 250.346 0.717 20 0 CCADLP CC(C)[NH+]1CC(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001481628909 892929667 /nfs/dbraw/zinc/92/96/67/892929667.db2.gz QZHQHXXHSQLIFR-UHFFFAOYSA-N 2 2 250.346 0.799 20 0 CCADLP CC(C)[NH+]1CC(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001481628909 892929675 /nfs/dbraw/zinc/92/96/75/892929675.db2.gz QZHQHXXHSQLIFR-UHFFFAOYSA-N 2 2 250.346 0.799 20 0 CCADLP CCOCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001481710194 893065866 /nfs/dbraw/zinc/06/58/66/893065866.db2.gz JQRPFPUJOQXBEX-GFCCVEGCSA-N 2 2 266.345 0.110 20 0 CCADLP CCOCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001481710194 893065888 /nfs/dbraw/zinc/06/58/88/893065888.db2.gz JQRPFPUJOQXBEX-GFCCVEGCSA-N 2 2 266.345 0.110 20 0 CCADLP CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)[C@H]1CC[N@H+](CCO)C1 ZINC001481775746 893137936 /nfs/dbraw/zinc/13/79/36/893137936.db2.gz PJCRZSOQZHDWCC-KGLIPLIRSA-N 2 2 294.399 0.749 20 0 CCADLP CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)[C@H]1CC[N@@H+](CCO)C1 ZINC001481775746 893137940 /nfs/dbraw/zinc/13/79/40/893137940.db2.gz PJCRZSOQZHDWCC-KGLIPLIRSA-N 2 2 294.399 0.749 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCc1ccc(C[NH2+]CCO)cc1 ZINC001482035616 893321218 /nfs/dbraw/zinc/32/12/18/893321218.db2.gz HKXDQXCZDDAOAH-UHFFFAOYSA-N 2 2 288.351 0.281 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC001362069212 893502593 /nfs/dbraw/zinc/50/25/93/893502593.db2.gz JODLMQVIHFNCBF-CQSZACIVSA-N 2 2 283.416 0.650 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC001362069212 893502613 /nfs/dbraw/zinc/50/26/13/893502613.db2.gz JODLMQVIHFNCBF-CQSZACIVSA-N 2 2 283.416 0.650 20 0 CCADLP CC(C)=CC[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001284457969 893566675 /nfs/dbraw/zinc/56/66/75/893566675.db2.gz YWVCBYZKLHBHBP-CQSZACIVSA-N 2 2 294.399 0.338 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)N1CC([NH2+]C2COC2)C1 ZINC001363646347 893780662 /nfs/dbraw/zinc/78/06/62/893780662.db2.gz KCKYKDQIDRLMDU-UHFFFAOYSA-N 2 2 278.356 0.206 20 0 CCADLP CO[C@@H](C)C[N@H+](C)CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001482631186 894432636 /nfs/dbraw/zinc/43/26/36/894432636.db2.gz NIISEHKGLMFNNR-NSHDSACASA-N 2 2 268.361 0.377 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001482631186 894432642 /nfs/dbraw/zinc/43/26/42/894432642.db2.gz NIISEHKGLMFNNR-NSHDSACASA-N 2 2 268.361 0.377 20 0 CCADLP Cc1cc(C[N@@H+](C)CCN(C)C(=O)[C@H]2CC[NH+](C)C2)on1 ZINC001482649244 894446812 /nfs/dbraw/zinc/44/68/12/894446812.db2.gz JCIBNSPUJXQOGN-ZDUSSCGKSA-N 2 2 294.399 0.825 20 0 CCADLP Cc1cc(C[N@H+](C)CCN(C)C(=O)[C@H]2CC[NH+](C)C2)on1 ZINC001482649244 894446824 /nfs/dbraw/zinc/44/68/24/894446824.db2.gz JCIBNSPUJXQOGN-ZDUSSCGKSA-N 2 2 294.399 0.825 20 0 CCADLP Cc1cc(C[NH+](C)CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)on1 ZINC001482649244 894446830 /nfs/dbraw/zinc/44/68/30/894446830.db2.gz JCIBNSPUJXQOGN-ZDUSSCGKSA-N 2 2 294.399 0.825 20 0 CCADLP Cc1cc(C[NH+](C)CCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)on1 ZINC001482649244 894446839 /nfs/dbraw/zinc/44/68/39/894446839.db2.gz JCIBNSPUJXQOGN-ZDUSSCGKSA-N 2 2 294.399 0.825 20 0 CCADLP C[C@H](CC(=O)NC[C@H](O)C[NH2+]CC1CC1)n1cc[nH+]c1 ZINC001482772638 894590244 /nfs/dbraw/zinc/59/02/44/894590244.db2.gz HYDHMJLDGFSPJK-DGCLKSJQSA-N 2 2 280.372 0.311 20 0 CCADLP CCOCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001483144234 895024472 /nfs/dbraw/zinc/02/44/72/895024472.db2.gz MAYWPNRCRMVPDU-CHWSQXEVSA-N 2 2 294.399 0.576 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@@H+](C)C(C)C)[nH]1 ZINC001409454884 895187736 /nfs/dbraw/zinc/18/77/36/895187736.db2.gz FRWFNGUNHSZSEZ-QWRGUYRKSA-N 2 2 296.419 0.436 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)C(C)C)[nH]1 ZINC001409454884 895187749 /nfs/dbraw/zinc/18/77/49/895187749.db2.gz FRWFNGUNHSZSEZ-QWRGUYRKSA-N 2 2 296.419 0.436 20 0 CCADLP C[C@@H](C(=O)N1CCCO[C@H](C[NH3+])C1)n1cc[nH+]c1 ZINC001326421237 913944806 /nfs/dbraw/zinc/94/48/06/913944806.db2.gz ONCKSGODUFXNSQ-WDEREUQCSA-N 2 2 252.318 0.020 20 0 CCADLP CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001483354797 895491657 /nfs/dbraw/zinc/49/16/57/895491657.db2.gz APBGKKXNLKODEK-NEPJUHHUSA-N 2 2 264.373 0.902 20 0 CCADLP CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001483354797 895491668 /nfs/dbraw/zinc/49/16/68/895491668.db2.gz APBGKKXNLKODEK-NEPJUHHUSA-N 2 2 264.373 0.902 20 0 CCADLP C[C@@H](C[N@H+](C)CC[C@H]1CCOC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001483401072 895539319 /nfs/dbraw/zinc/53/93/19/895539319.db2.gz QCRQUYZGMQVBKS-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H](C[N@@H+](C)CC[C@H]1CCOC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001483401072 895539329 /nfs/dbraw/zinc/53/93/29/895539329.db2.gz QCRQUYZGMQVBKS-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP CC(C)[C@H](C(=O)N[C@@H](C)C[N@H+](C)CC(N)=O)[NH+]1CCCC1 ZINC001483421304 895554315 /nfs/dbraw/zinc/55/43/15/895554315.db2.gz PQIPTIXIHINEER-GXTWGEPZSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CC(N)=O)[NH+]1CCCC1 ZINC001483421304 895554322 /nfs/dbraw/zinc/55/43/22/895554322.db2.gz PQIPTIXIHINEER-GXTWGEPZSA-N 2 2 298.431 0.029 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCC[NH2+]CCF ZINC001483496562 895611322 /nfs/dbraw/zinc/61/13/22/895611322.db2.gz AMZKKBSFMFFTEL-LLVKDONJSA-N 2 2 270.352 0.996 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCC[NH2+]CCF ZINC001483496562 895611328 /nfs/dbraw/zinc/61/13/28/895611328.db2.gz AMZKKBSFMFFTEL-LLVKDONJSA-N 2 2 270.352 0.996 20 0 CCADLP CN(CCC[NH2+]CC[C@H]1CCCO1)C(=O)Cc1c[nH+]c[nH]1 ZINC001483494368 895611495 /nfs/dbraw/zinc/61/14/95/895611495.db2.gz FWIHIZWEDSMQQO-CQSZACIVSA-N 2 2 294.399 0.959 20 0 CCADLP CC[NH2+]C[C@H](NC(=O)CCc1[nH+]ccn1C)C1CC1 ZINC001483576655 895657976 /nfs/dbraw/zinc/65/79/76/895657976.db2.gz HQOBFPUVQAWULC-LBPRGKRZSA-N 2 2 264.373 0.857 20 0 CCADLP O=C(NCC[N@@H+]1CCCOCC1)N1CCn2c[nH+]cc2C1 ZINC001414663878 895999562 /nfs/dbraw/zinc/99/95/62/895999562.db2.gz VCCCLJHYRRGMDD-UHFFFAOYSA-N 2 2 293.371 0.131 20 0 CCADLP O=C(NCC[N@H+]1CCCOCC1)N1CCn2c[nH+]cc2C1 ZINC001414663878 895999570 /nfs/dbraw/zinc/99/95/70/895999570.db2.gz VCCCLJHYRRGMDD-UHFFFAOYSA-N 2 2 293.371 0.131 20 0 CCADLP [NH3+]C1(C[NH2+][C@H]2CCN(C3CCOCC3)C2=O)CCC1 ZINC001326583995 914032781 /nfs/dbraw/zinc/03/27/81/914032781.db2.gz RGUUULUNVZIXJG-LBPRGKRZSA-N 2 2 267.373 0.237 20 0 CCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC[C@H]1C[NH2+]CCF ZINC001483933993 896123900 /nfs/dbraw/zinc/12/39/00/896123900.db2.gz DGWSTMXTWLXCLV-JSGCOSHPSA-N 2 2 294.374 0.996 20 0 CCADLP C[C@H](O)CCC[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001483957531 896136420 /nfs/dbraw/zinc/13/64/20/896136420.db2.gz IGEVSQMVKQQOBP-KBPBESRZSA-N 2 2 294.399 0.625 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+]CC[C@H]1CCCO1 ZINC001493773390 896361833 /nfs/dbraw/zinc/36/18/33/896361833.db2.gz CEAGDAHKGYEZAY-CYBMUJFWSA-N 2 2 294.399 0.878 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[C@H]([NH2+]C[C@@H](C)O)C1 ZINC001397148606 914067368 /nfs/dbraw/zinc/06/73/68/914067368.db2.gz XQKIZKBHZVFMAE-YUSALJHKSA-N 2 2 280.372 0.126 20 0 CCADLP C[N@H+](CCO)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001485060604 896753417 /nfs/dbraw/zinc/75/34/17/896753417.db2.gz PYYCIGDGMSMIGK-YNEHKIRRSA-N 2 2 292.383 0.428 20 0 CCADLP C[N@@H+](CCO)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001485060604 896753422 /nfs/dbraw/zinc/75/34/22/896753422.db2.gz PYYCIGDGMSMIGK-YNEHKIRRSA-N 2 2 292.383 0.428 20 0 CCADLP C[N@H+](CCO)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001485060604 896753432 /nfs/dbraw/zinc/75/34/32/896753432.db2.gz PYYCIGDGMSMIGK-YNEHKIRRSA-N 2 2 292.383 0.428 20 0 CCADLP C[N@@H+](CCO)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001485060604 896753444 /nfs/dbraw/zinc/75/34/44/896753444.db2.gz PYYCIGDGMSMIGK-YNEHKIRRSA-N 2 2 292.383 0.428 20 0 CCADLP CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001485351915 896981115 /nfs/dbraw/zinc/98/11/15/896981115.db2.gz IEWXNUVFDZNZSJ-IJLUTSLNSA-N 2 2 264.373 0.980 20 0 CCADLP CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001485351915 896981121 /nfs/dbraw/zinc/98/11/21/896981121.db2.gz IEWXNUVFDZNZSJ-IJLUTSLNSA-N 2 2 264.373 0.980 20 0 CCADLP CC[N@H+](C)[C@@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001485379468 897008480 /nfs/dbraw/zinc/00/84/80/897008480.db2.gz MHUAXLODSUZUCN-NSHDSACASA-N 2 2 252.362 0.809 20 0 CCADLP CC[N@@H+](C)[C@@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001485379468 897008491 /nfs/dbraw/zinc/00/84/91/897008491.db2.gz MHUAXLODSUZUCN-NSHDSACASA-N 2 2 252.362 0.809 20 0 CCADLP Cc1[nH+]cc(C[N@H+]2CCC[C@]3(CC(=O)N(C)C3=O)C2)n1C ZINC001272775383 897652641 /nfs/dbraw/zinc/65/26/41/897652641.db2.gz ZGUFGZJVDMMXQP-HNNXBMFYSA-N 2 2 290.367 0.699 20 0 CCADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@]3(CC(=O)N(C)C3=O)C2)n1C ZINC001272775383 897652649 /nfs/dbraw/zinc/65/26/49/897652649.db2.gz ZGUFGZJVDMMXQP-HNNXBMFYSA-N 2 2 290.367 0.699 20 0 CCADLP CC[C@@H](C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1)OC ZINC001032652135 897899567 /nfs/dbraw/zinc/89/95/67/897899567.db2.gz LPIUXZXIUAWANS-IHRRRGAJSA-N 2 2 292.383 0.662 20 0 CCADLP CC[C@@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1)OC ZINC001032652135 897899558 /nfs/dbraw/zinc/89/95/58/897899558.db2.gz LPIUXZXIUAWANS-IHRRRGAJSA-N 2 2 292.383 0.662 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO ZINC001032759254 898118942 /nfs/dbraw/zinc/11/89/42/898118942.db2.gz FUROHOONLKUHQH-KBPBESRZSA-N 2 2 292.383 0.020 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO ZINC001032759254 898118952 /nfs/dbraw/zinc/11/89/52/898118952.db2.gz FUROHOONLKUHQH-KBPBESRZSA-N 2 2 292.383 0.020 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](CC[C@H](C)F)C[C@H]1O ZINC001078080917 898219709 /nfs/dbraw/zinc/21/97/09/898219709.db2.gz KQNIXXMFFQFYGZ-ZWKOPEQDSA-N 2 2 298.362 0.170 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](CC[C@H](C)F)C[C@H]1O ZINC001078080917 898219725 /nfs/dbraw/zinc/21/97/25/898219725.db2.gz KQNIXXMFFQFYGZ-ZWKOPEQDSA-N 2 2 298.362 0.170 20 0 CCADLP CC(C)=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001078182086 898294276 /nfs/dbraw/zinc/29/42/76/898294276.db2.gz FCEIPRXPHPCBJT-ZIAGYGMSSA-N 2 2 292.383 0.319 20 0 CCADLP CC(C)=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001078182086 898294282 /nfs/dbraw/zinc/29/42/82/898294282.db2.gz FCEIPRXPHPCBJT-ZIAGYGMSSA-N 2 2 292.383 0.319 20 0 CCADLP COCC[NH2+][C@@H](C)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001485950175 898514922 /nfs/dbraw/zinc/51/49/22/898514922.db2.gz YIECEPWLJLOELK-JTQLQIEISA-N 2 2 268.361 0.344 20 0 CCADLP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1csnn1 ZINC001485955555 898518441 /nfs/dbraw/zinc/51/84/41/898518441.db2.gz NDQZHVNCXFIVEG-WDEREUQCSA-N 2 2 297.428 0.426 20 0 CCADLP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1csnn1 ZINC001485955555 898518455 /nfs/dbraw/zinc/51/84/55/898518455.db2.gz NDQZHVNCXFIVEG-WDEREUQCSA-N 2 2 297.428 0.426 20 0 CCADLP COC[C@H](C)[NH2+]CCN(C)C(=O)Cc1c[nH+]ccc1OC ZINC001493588631 898520122 /nfs/dbraw/zinc/52/01/22/898520122.db2.gz AAJAEBODVLQPEX-LBPRGKRZSA-N 2 2 295.383 0.716 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001485961774 898563441 /nfs/dbraw/zinc/56/34/41/898563441.db2.gz GSVPBOLOSJCXLO-NWDGAFQWSA-N 2 2 268.361 0.355 20 0 CCADLP C[C@@H](CC(=O)NC[C@H](CO)[NH2+]CC1CC1)n1cc[nH+]c1 ZINC001486040127 898606083 /nfs/dbraw/zinc/60/60/83/898606083.db2.gz RNAQMOPOJSCUPL-WCQYABFASA-N 2 2 280.372 0.311 20 0 CCADLP CN(C[C@H](O)C[N@H+](C)CC1CC1)C(=O)Cc1c[nH+]cn1C ZINC001486357532 898813264 /nfs/dbraw/zinc/81/32/64/898813264.db2.gz YEVPAYKRABHSKA-CQSZACIVSA-N 2 2 294.399 0.124 20 0 CCADLP CN(C[C@H](O)C[N@@H+](C)CC1CC1)C(=O)Cc1c[nH+]cn1C ZINC001486357532 898813275 /nfs/dbraw/zinc/81/32/75/898813275.db2.gz YEVPAYKRABHSKA-CQSZACIVSA-N 2 2 294.399 0.124 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H](C)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001410392317 899383890 /nfs/dbraw/zinc/38/38/90/899383890.db2.gz JWKMHRFLACVPOL-WDEREUQCSA-N 2 2 290.367 0.994 20 0 CCADLP CC(C)C[NH2+][C@@H](CO)CNC(=O)c1cccc2[nH+]ccn21 ZINC001410695628 899541315 /nfs/dbraw/zinc/54/13/15/899541315.db2.gz JGTDGQOXPUZKMH-GFCCVEGCSA-N 2 2 290.367 0.671 20 0 CCADLP CC[C@H](C)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001411131542 899697568 /nfs/dbraw/zinc/69/75/68/899697568.db2.gz ZZPBVRWTUKHACZ-WCQYABFASA-N 2 2 296.415 0.716 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@@H](NCC2([NH3+])CCCCC2)C[NH2+]1 ZINC001246277689 899861949 /nfs/dbraw/zinc/86/19/49/899861949.db2.gz AOEIWWITSQAVDJ-IUODEOHRSA-N 2 2 283.416 0.921 20 0 CCADLP C[C@H](O)C[N@H+](C)C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001489334297 900467217 /nfs/dbraw/zinc/46/72/17/900467217.db2.gz QCDYQBKEBANENS-KBPBESRZSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@H](O)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001489334297 900467230 /nfs/dbraw/zinc/46/72/30/900467230.db2.gz QCDYQBKEBANENS-KBPBESRZSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@@H](O)C[N@H+](C)C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001489334298 900468860 /nfs/dbraw/zinc/46/88/60/900468860.db2.gz QCDYQBKEBANENS-KGLIPLIRSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001489334298 900468867 /nfs/dbraw/zinc/46/88/67/900468867.db2.gz QCDYQBKEBANENS-KGLIPLIRSA-N 2 2 294.399 0.577 20 0 CCADLP CC(C)[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001490743328 900715047 /nfs/dbraw/zinc/71/50/47/900715047.db2.gz AEVBZQVGHMVUPA-GFCCVEGCSA-N 2 2 250.346 0.776 20 0 CCADLP CN(C)c1cc(NC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)cc[nH+]1 ZINC001411858789 901293699 /nfs/dbraw/zinc/29/36/99/901293699.db2.gz IHAZXHRLLXMECL-CHWSQXEVSA-N 2 2 292.383 0.931 20 0 CCADLP CN(C)c1cc(NC(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)cc[nH+]1 ZINC001411858789 901293712 /nfs/dbraw/zinc/29/37/12/901293712.db2.gz IHAZXHRLLXMECL-CHWSQXEVSA-N 2 2 292.383 0.931 20 0 CCADLP C[C@H](O)CCC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001412959129 902393618 /nfs/dbraw/zinc/39/36/18/902393618.db2.gz KHEJNOHDWNQKOQ-JSGCOSHPSA-N 2 2 283.416 0.562 20 0 CCADLP C[C@H](O)CCC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001412959129 902393632 /nfs/dbraw/zinc/39/36/32/902393632.db2.gz KHEJNOHDWNQKOQ-JSGCOSHPSA-N 2 2 283.416 0.562 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH2+]C1(C(=O)NCC2CC2)CCCC1 ZINC001412975557 902421804 /nfs/dbraw/zinc/42/18/04/902421804.db2.gz ZAYSBRGFEDJISJ-AWEZNQCLSA-N 2 2 297.443 0.728 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+]C1(C(=O)NCC2CC2)CCCC1 ZINC001412975557 902421812 /nfs/dbraw/zinc/42/18/12/902421812.db2.gz ZAYSBRGFEDJISJ-AWEZNQCLSA-N 2 2 297.443 0.728 20 0 CCADLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cn(C)nn2)CC1 ZINC001413015167 902482094 /nfs/dbraw/zinc/48/20/94/902482094.db2.gz UKPPUKZIYSWCCJ-UHFFFAOYSA-N 2 2 280.420 0.321 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[N@H+](CCCF)C1 ZINC001398334719 914629230 /nfs/dbraw/zinc/62/92/30/914629230.db2.gz DSJLTILVMCDIFQ-GFCCVEGCSA-N 2 2 282.363 0.903 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[N@@H+](CCCF)C1 ZINC001398334719 914629238 /nfs/dbraw/zinc/62/92/38/914629238.db2.gz DSJLTILVMCDIFQ-GFCCVEGCSA-N 2 2 282.363 0.903 20 0 CCADLP C[C@@H](CN1CC[N@@H+]2C[C@@H](F)C[C@H]2C1)C[NH+]1CCOCC1 ZINC001413083143 902691899 /nfs/dbraw/zinc/69/18/99/902691899.db2.gz MEJXQKHHTPGXOB-ILXRZTDVSA-N 2 2 285.407 0.683 20 0 CCADLP C[C@@H](CN1CC[N@H+]2C[C@@H](F)C[C@H]2C1)C[NH+]1CCOCC1 ZINC001413083143 902691907 /nfs/dbraw/zinc/69/19/07/902691907.db2.gz MEJXQKHHTPGXOB-ILXRZTDVSA-N 2 2 285.407 0.683 20 0 CCADLP C[NH+]1CCC(N(CCO)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001413192449 902776872 /nfs/dbraw/zinc/77/68/72/902776872.db2.gz IJRAZVYZKVYACX-CHWSQXEVSA-N 2 2 292.383 0.428 20 0 CCADLP C[NH+]1CCC(N(CCO)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001413192449 902776882 /nfs/dbraw/zinc/77/68/82/902776882.db2.gz IJRAZVYZKVYACX-CHWSQXEVSA-N 2 2 292.383 0.428 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]([NH2+]Cc1cccnc1)C1CC1 ZINC001398453844 914657651 /nfs/dbraw/zinc/65/76/51/914657651.db2.gz QWEQFPXCDUIDPC-OAHLLOKOSA-N 2 2 299.378 0.963 20 0 CCADLP CC[N@@H+]1CC[C@H]1C(=O)NC(C)(C)CC[NH+]1CCOCC1 ZINC001413313842 902865747 /nfs/dbraw/zinc/86/57/47/902865747.db2.gz ZMTPCUCZNUHDNV-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP CC[N@H+]1CC[C@H]1C(=O)NC(C)(C)CC[NH+]1CCOCC1 ZINC001413313842 902865762 /nfs/dbraw/zinc/86/57/62/902865762.db2.gz ZMTPCUCZNUHDNV-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP Cc1nc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)co1 ZINC001491416369 903565949 /nfs/dbraw/zinc/56/59/49/903565949.db2.gz ZWLYPJBPPHMGCP-MFKMUULPSA-N 2 2 280.372 0.672 20 0 CCADLP Cc1nc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C)co1 ZINC001491416369 903565959 /nfs/dbraw/zinc/56/59/59/903565959.db2.gz ZWLYPJBPPHMGCP-MFKMUULPSA-N 2 2 280.372 0.672 20 0 CCADLP C[C@H](O)C[NH2+][C@@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001491463627 903608397 /nfs/dbraw/zinc/60/83/97/903608397.db2.gz OZWHDZOWGVUTJR-RYUDHWBXSA-N 2 2 294.399 0.237 20 0 CCADLP CCC[NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001276680755 903822352 /nfs/dbraw/zinc/82/23/52/903822352.db2.gz JATTWMSJLORZAN-NSHDSACASA-N 2 2 250.346 0.847 20 0 CCADLP CCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CC[NH2+]C1 ZINC001330985637 903939479 /nfs/dbraw/zinc/93/94/79/903939479.db2.gz UDGAJTOOBQHWSY-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP CC[C@H](C(=O)N[C@H]1COC2(C[NH+](CC)C2)C1)[NH+](C)C ZINC001280943173 904180769 /nfs/dbraw/zinc/18/07/69/904180769.db2.gz BTKHJTWBTSLEIT-VXGBXAGGSA-N 2 2 269.389 0.306 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC1(C[NH2+]CCCF)CCOCC1 ZINC001281279999 904257928 /nfs/dbraw/zinc/25/79/28/904257928.db2.gz KEYUJYZNYCRPBN-UHFFFAOYSA-N 2 2 298.362 0.567 20 0 CCADLP CC(C)OCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001281454476 904287350 /nfs/dbraw/zinc/28/73/50/904287350.db2.gz CYUPKIOBDDLYPS-QWHCGFSZSA-N 2 2 294.399 0.814 20 0 CCADLP C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CCCF ZINC001281758633 904343590 /nfs/dbraw/zinc/34/35/90/904343590.db2.gz FXPATRWSHQXQFE-JTQLQIEISA-N 2 2 256.325 0.796 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21 ZINC001398824821 914862953 /nfs/dbraw/zinc/86/29/53/914862953.db2.gz NFCMEMHXCWBKRG-UVHGVLLISA-N 2 2 292.383 0.016 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)O)C[C@H]21 ZINC001398824821 914862967 /nfs/dbraw/zinc/86/29/67/914862967.db2.gz NFCMEMHXCWBKRG-UVHGVLLISA-N 2 2 292.383 0.016 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](C)O)C[C@H]21 ZINC001398824821 914862977 /nfs/dbraw/zinc/86/29/77/914862977.db2.gz NFCMEMHXCWBKRG-UVHGVLLISA-N 2 2 292.383 0.016 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)O)C[C@H]21 ZINC001398824821 914862988 /nfs/dbraw/zinc/86/29/88/914862988.db2.gz NFCMEMHXCWBKRG-UVHGVLLISA-N 2 2 292.383 0.016 20 0 CCADLP C[C@H](CC(=O)N1CCC[C@@H]1C[N@H+](C)CCO)n1cc[nH+]c1 ZINC001377671738 905086604 /nfs/dbraw/zinc/08/66/04/905086604.db2.gz UELLBGWTHAJLJJ-ZIAGYGMSSA-N 2 2 294.399 0.749 20 0 CCADLP C[C@H](CC(=O)N1CCC[C@@H]1C[N@@H+](C)CCO)n1cc[nH+]c1 ZINC001377671738 905086626 /nfs/dbraw/zinc/08/66/26/905086626.db2.gz UELLBGWTHAJLJJ-ZIAGYGMSSA-N 2 2 294.399 0.749 20 0 CCADLP CC[C@H](C[NH2+]CC1CC(NC(=O)Cc2[nH]cc[nH+]2)C1)OC ZINC001377728436 905118440 /nfs/dbraw/zinc/11/84/40/905118440.db2.gz SSVKMDGZDCLXIS-WXRRBKDZSA-N 2 2 294.399 0.862 20 0 CCADLP CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001284449034 905301726 /nfs/dbraw/zinc/30/17/26/905301726.db2.gz ZDVOHTXGPMMFGU-YNEHKIRRSA-N 2 2 294.399 0.343 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCC[C@@H](C)O)C1 ZINC001378078975 905407348 /nfs/dbraw/zinc/40/73/48/905407348.db2.gz PVCJETQHTNXAPS-YPMHNXCESA-N 2 2 294.399 0.612 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCC[C@@H](C)O)C1 ZINC001378078975 905407353 /nfs/dbraw/zinc/40/73/53/905407353.db2.gz PVCJETQHTNXAPS-YPMHNXCESA-N 2 2 294.399 0.612 20 0 CCADLP C[C@@H](O)CCC[N@H+](C)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001378195485 905486084 /nfs/dbraw/zinc/48/60/84/905486084.db2.gz YFKDUAKBHNMQQU-CHWSQXEVSA-N 2 2 296.415 0.560 20 0 CCADLP C[C@@H](O)CCC[N@@H+](C)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001378195485 905486087 /nfs/dbraw/zinc/48/60/87/905486087.db2.gz YFKDUAKBHNMQQU-CHWSQXEVSA-N 2 2 296.415 0.560 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC1=CC[N@H+](C[C@@H](C)O)CC1 ZINC001284985725 905521909 /nfs/dbraw/zinc/52/19/09/905521909.db2.gz JVWAXKFNABZQRY-LLVKDONJSA-N 2 2 292.383 0.390 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC1=CC[N@@H+](C[C@@H](C)O)CC1 ZINC001284985725 905521914 /nfs/dbraw/zinc/52/19/14/905521914.db2.gz JVWAXKFNABZQRY-LLVKDONJSA-N 2 2 292.383 0.390 20 0 CCADLP CC(C)[C@@H](C(=O)N[C@H](C)C1C[NH+](CCF)C1)[NH+](C)C ZINC001378578125 905691640 /nfs/dbraw/zinc/69/16/40/905691640.db2.gz BKAKGIHRWULOGD-YPMHNXCESA-N 2 2 273.396 0.979 20 0 CCADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)C1C[NH+](Cc2cccnc2)C1 ZINC001378598176 905703389 /nfs/dbraw/zinc/70/33/89/905703389.db2.gz XFZFKWHVPGHQQF-CYBMUJFWSA-N 2 2 299.378 0.915 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)CC[NH+](C)C ZINC001290903056 906155781 /nfs/dbraw/zinc/15/57/81/906155781.db2.gz YHTDDFDJVVOBQT-VXGBXAGGSA-N 2 2 252.362 0.976 20 0 CCADLP C[NH+](C)C[C@H]1CCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001292800065 906341309 /nfs/dbraw/zinc/34/13/09/906341309.db2.gz TYOBHUWLXCRMRU-LLVKDONJSA-N 2 2 250.346 0.895 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+]Cc1ncccn1 ZINC001379598169 906371987 /nfs/dbraw/zinc/37/19/87/906371987.db2.gz JAXBMPVAWQIAHY-NSHDSACASA-N 2 2 288.355 0.276 20 0 CCADLP O=S1(=O)CCC[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001334858866 906467307 /nfs/dbraw/zinc/46/73/07/906467307.db2.gz KOXRPXOJINTNPS-MNOVXSKESA-N 2 2 269.370 0.365 20 0 CCADLP CC[NH+]1CC(O)(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001380633744 906872029 /nfs/dbraw/zinc/87/20/29/906872029.db2.gz MEUKTJDSAWSSIW-UHFFFAOYSA-N 2 2 295.427 0.291 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@@H](CC[NH3+])C1 ZINC001335570016 906924685 /nfs/dbraw/zinc/92/46/85/906924685.db2.gz FTBMDJOZUQQLJX-SNVBAGLBSA-N 2 2 251.334 0.300 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNc1nccnc1C[NH3+] ZINC001337768637 921291580 /nfs/dbraw/zinc/29/15/80/921291580.db2.gz IXVDQYZIGVPVTO-UHFFFAOYSA-N 2 2 265.361 0.458 20 0 CCADLP CC1(C)COCC[N@H+]1CCNc1nccnc1C[NH3+] ZINC001337768637 921291584 /nfs/dbraw/zinc/29/15/84/921291584.db2.gz IXVDQYZIGVPVTO-UHFFFAOYSA-N 2 2 265.361 0.458 20 0 CCADLP CCC(CC)C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001381080770 907066137 /nfs/dbraw/zinc/06/61/37/907066137.db2.gz REKBORJOPZIUAQ-HNNXBMFYSA-N 2 2 297.443 0.897 20 0 CCADLP CCC(CC)C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001381080770 907066154 /nfs/dbraw/zinc/06/61/54/907066154.db2.gz REKBORJOPZIUAQ-HNNXBMFYSA-N 2 2 297.443 0.897 20 0 CCADLP CO[C@@H](C)C[N@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001381301833 907151431 /nfs/dbraw/zinc/15/14/31/907151431.db2.gz PRMVPCUNYJLSCR-GXTWGEPZSA-N 2 2 294.399 0.910 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001381301833 907151447 /nfs/dbraw/zinc/15/14/47/907151447.db2.gz PRMVPCUNYJLSCR-GXTWGEPZSA-N 2 2 294.399 0.910 20 0 CCADLP CO[C@H](C)C[N@H+](C)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001381626836 907342895 /nfs/dbraw/zinc/34/28/95/907342895.db2.gz PMXJFPYHUOWHJC-GHMZBOCLSA-N 2 2 282.388 0.732 20 0 CCADLP CO[C@H](C)C[N@@H+](C)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001381626836 907342918 /nfs/dbraw/zinc/34/29/18/907342918.db2.gz PMXJFPYHUOWHJC-GHMZBOCLSA-N 2 2 282.388 0.732 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1nncs1 ZINC001491650067 907483036 /nfs/dbraw/zinc/48/30/36/907483036.db2.gz NRFINDSLZGMRHZ-SNVBAGLBSA-N 2 2 285.417 0.474 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]Cc1nncs1 ZINC001491650067 907483044 /nfs/dbraw/zinc/48/30/44/907483044.db2.gz NRFINDSLZGMRHZ-SNVBAGLBSA-N 2 2 285.417 0.474 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+]CCOC(C)C ZINC001491651524 907484426 /nfs/dbraw/zinc/48/44/26/907484426.db2.gz RFKBUJZIBAEWEU-LLVKDONJSA-N 2 2 282.388 0.780 20 0 CCADLP COCCCC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001491837138 907598436 /nfs/dbraw/zinc/59/84/36/907598436.db2.gz HLKYAOCMEBNIPD-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP CO[C@H](C)C[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001382589728 907798098 /nfs/dbraw/zinc/79/80/98/907798098.db2.gz NQWUMAZEEZKOEN-PNESKVBLSA-N 2 2 294.399 0.577 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CC[C@H](CC[NH3+])C2)c1 ZINC001336907884 908023274 /nfs/dbraw/zinc/02/32/74/908023274.db2.gz KAHAGSPOVFOFGN-NSHDSACASA-N 2 2 265.361 0.343 20 0 CCADLP C[N@@H+]1C[C@]2(C)C[NH+](CCNC(=O)C3CC3)C[C@]2(C)C1 ZINC001307977465 908363392 /nfs/dbraw/zinc/36/33/92/908363392.db2.gz CMLSBFVNIOIUQS-GASCZTMLSA-N 2 2 265.401 0.786 20 0 CCADLP C[N@H+]1C[C@]2(C)C[NH+](CCNC(=O)C3CC3)C[C@]2(C)C1 ZINC001307977465 908363403 /nfs/dbraw/zinc/36/34/03/908363403.db2.gz CMLSBFVNIOIUQS-GASCZTMLSA-N 2 2 265.401 0.786 20 0 CCADLP C[NH+]1C[C@]2(C)C[N@H+](CCNC(=O)C3CC3)C[C@]2(C)C1 ZINC001307977465 908363416 /nfs/dbraw/zinc/36/34/16/908363416.db2.gz CMLSBFVNIOIUQS-GASCZTMLSA-N 2 2 265.401 0.786 20 0 CCADLP C[NH+]1C[C@]2(C)C[N@@H+](CCNC(=O)C3CC3)C[C@]2(C)C1 ZINC001307977465 908363433 /nfs/dbraw/zinc/36/34/33/908363433.db2.gz CMLSBFVNIOIUQS-GASCZTMLSA-N 2 2 265.401 0.786 20 0 CCADLP CC1(C)C[NH2+]CC[C@@H](NC(=O)C[C@H]([NH3+])C(F)F)C1 ZINC001340894172 908557038 /nfs/dbraw/zinc/55/70/38/908557038.db2.gz HEUAHMYWIXSDAO-BDAKNGLRSA-N 2 2 263.332 0.863 20 0 CCADLP CC[C@@H](F)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317063740 908953784 /nfs/dbraw/zinc/95/37/84/908953784.db2.gz DBWQXFRTAKEZDR-MNOVXSKESA-N 2 2 268.336 0.891 20 0 CCADLP Cc1nn(C)cc1C[NH2+]CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001317642139 909434744 /nfs/dbraw/zinc/43/47/44/909434744.db2.gz PLTFJRIBLWQIAT-UHFFFAOYSA-N 2 2 290.371 0.242 20 0 CCADLP CC[C@@H](C(=O)N(C)CC[NH2+]Cc1ncc(C)cn1)[NH+](C)C ZINC001317652505 909447020 /nfs/dbraw/zinc/44/70/20/909447020.db2.gz ARDYEQHVXCSKHW-ZDUSSCGKSA-N 2 2 293.415 0.673 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[C@@H]([NH2+]C[C@H](C)O)C1 ZINC001388740351 909571260 /nfs/dbraw/zinc/57/12/60/909571260.db2.gz ZDBUYJSNJIAWJY-YVECIDJPSA-N 2 2 294.399 0.454 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[C@@H]([NH2+]C[C@H](C)O)C1 ZINC001388740351 909571267 /nfs/dbraw/zinc/57/12/67/909571267.db2.gz ZDBUYJSNJIAWJY-YVECIDJPSA-N 2 2 294.399 0.454 20 0 CCADLP Nc1cc(N2CCN(c3cc[nH+]cc3)CC2)[nH+]cn1 ZINC001318330809 909713428 /nfs/dbraw/zinc/71/34/28/909713428.db2.gz LGIAIAJDNMYQNO-UHFFFAOYSA-N 2 2 256.313 0.780 20 0 CCADLP O=C(NC[C@H]([NH2+]CCF)C1CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001389623989 910004759 /nfs/dbraw/zinc/00/47/59/910004759.db2.gz RDIXRPWQDXPDCV-OCCSQVGLSA-N 2 2 294.374 0.899 20 0 CCADLP COCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001319209308 910037729 /nfs/dbraw/zinc/03/77/29/910037729.db2.gz OQOVJPBUFXHIRX-OLZOCXBDSA-N 2 2 294.399 0.434 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001390152787 910250356 /nfs/dbraw/zinc/25/03/56/910250356.db2.gz PTBQSYVYLDUVIT-OCCSQVGLSA-N 2 2 294.399 0.958 20 0 CCADLP CC(C)[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CCCO ZINC001319947058 910367848 /nfs/dbraw/zinc/36/78/48/910367848.db2.gz KTMNYWDTFYWONL-LBPRGKRZSA-N 2 2 268.361 0.065 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCC[C@H]1C[NH2+]CCCO ZINC001320166986 910487835 /nfs/dbraw/zinc/48/78/35/910487835.db2.gz SMUYGTBSCRZXSF-AAEUAGOBSA-N 2 2 280.372 0.209 20 0 CCADLP CN(C[C@@H]1CC[N@@H+]1CCCO)C(=O)CCc1[nH+]ccn1C ZINC001417735768 921587276 /nfs/dbraw/zinc/58/72/76/921587276.db2.gz FWQPDNASZSNWNP-ZDUSSCGKSA-N 2 2 294.399 0.268 20 0 CCADLP CN(C[C@@H]1CC[N@H+]1CCCO)C(=O)CCc1[nH+]ccn1C ZINC001417735768 921587283 /nfs/dbraw/zinc/58/72/83/921587283.db2.gz FWQPDNASZSNWNP-ZDUSSCGKSA-N 2 2 294.399 0.268 20 0 CCADLP C[C@H](O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001320751145 910841743 /nfs/dbraw/zinc/84/17/43/910841743.db2.gz VHSYBEKOLVIVQU-NSHDSACASA-N 2 2 269.389 0.042 20 0 CCADLP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccon1 ZINC001391062140 910846565 /nfs/dbraw/zinc/84/65/65/910846565.db2.gz LNAGOVQETWFLFX-ZDUSSCGKSA-N 2 2 280.372 0.707 20 0 CCADLP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccon1 ZINC001391062140 910846581 /nfs/dbraw/zinc/84/65/81/910846581.db2.gz LNAGOVQETWFLFX-ZDUSSCGKSA-N 2 2 280.372 0.707 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@H]1CC[N@H+](CCCO)C1 ZINC001391335029 911047933 /nfs/dbraw/zinc/04/79/33/911047933.db2.gz GFBIPOPUWPMRGL-ZDUSSCGKSA-N 2 2 294.399 0.471 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@H]1CC[N@@H+](CCCO)C1 ZINC001391335029 911047955 /nfs/dbraw/zinc/04/79/55/911047955.db2.gz GFBIPOPUWPMRGL-ZDUSSCGKSA-N 2 2 294.399 0.471 20 0 CCADLP C[N@H+](CCCO)C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001391365821 911074432 /nfs/dbraw/zinc/07/44/32/911074432.db2.gz XVYRUPQXUPRTOJ-GFCCVEGCSA-N 2 2 280.372 0.115 20 0 CCADLP C[N@@H+](CCCO)C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001391365821 911074452 /nfs/dbraw/zinc/07/44/52/911074452.db2.gz XVYRUPQXUPRTOJ-GFCCVEGCSA-N 2 2 280.372 0.115 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC1C[NH+](C[C@@H]2CCCOC2)C1 ZINC001391438061 911130442 /nfs/dbraw/zinc/13/04/42/911130442.db2.gz XFTCRXGCKXNNJJ-ZDUSSCGKSA-N 2 2 292.383 0.500 20 0 CCADLP CC(C)[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001321558942 911370149 /nfs/dbraw/zinc/37/01/49/911370149.db2.gz AAXBHKUWCHLXMX-VXGBXAGGSA-N 2 2 264.373 0.948 20 0 CCADLP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1csnn1 ZINC001391753465 911385081 /nfs/dbraw/zinc/38/50/81/911385081.db2.gz MUPIXCVMXPLKLV-LLVKDONJSA-N 2 2 299.444 0.863 20 0 CCADLP CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+]Cc1csnn1 ZINC001391753465 911385102 /nfs/dbraw/zinc/38/51/02/911385102.db2.gz MUPIXCVMXPLKLV-LLVKDONJSA-N 2 2 299.444 0.863 20 0 CCADLP C[C@H](C[NH2+]Cc1csnn1)NC(=O)C1CC[NH+](C)CC1 ZINC001392505420 911859609 /nfs/dbraw/zinc/85/96/09/911859609.db2.gz NEGNDNXPFVNWDL-SNVBAGLBSA-N 2 2 297.428 0.474 20 0 CCADLP CCc1nocc1C[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001392535192 911898570 /nfs/dbraw/zinc/89/85/70/911898570.db2.gz DUUOSVCTJSBBDI-LLVKDONJSA-N 2 2 291.355 0.728 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H](C[NH2+]CCF)C1CC1 ZINC001323089570 912108957 /nfs/dbraw/zinc/10/89/57/912108957.db2.gz MOJAIVMSPLDENL-SNVBAGLBSA-N 2 2 254.309 0.406 20 0 CCADLP C[C@H]([NH3+])C1CC[NH+](Cc2nnc3n2CCOC3)CC1 ZINC001328490913 915230334 /nfs/dbraw/zinc/23/03/34/915230334.db2.gz YUGYHHYZVIDXJT-JTQLQIEISA-N 2 2 265.361 0.368 20 0 CCADLP CO[C@@H](C)C[N@H+](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001399580447 915249216 /nfs/dbraw/zinc/24/92/16/915249216.db2.gz NOAMEBZXLGJGNR-OLZOCXBDSA-N 2 2 282.388 0.917 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001399580447 915249234 /nfs/dbraw/zinc/24/92/34/915249234.db2.gz NOAMEBZXLGJGNR-OLZOCXBDSA-N 2 2 282.388 0.917 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NC1CC(C[NH2+]CCCO)C1 ZINC001328892356 915502821 /nfs/dbraw/zinc/50/28/21/915502821.db2.gz HFZSKJFQGGGGBR-UHFFFAOYSA-N 2 2 294.399 0.220 20 0 CCADLP COCC[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001329168694 915723277 /nfs/dbraw/zinc/72/32/77/915723277.db2.gz NSSMUIHWQKTGSH-QWRGUYRKSA-N 2 2 268.361 0.092 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC001329176653 915725858 /nfs/dbraw/zinc/72/58/58/915725858.db2.gz BUWVTKWVZBNFEY-IJLUTSLNSA-N 2 2 262.357 0.592 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC001329176653 915725875 /nfs/dbraw/zinc/72/58/75/915725875.db2.gz BUWVTKWVZBNFEY-IJLUTSLNSA-N 2 2 262.357 0.592 20 0 CCADLP C[NH2+]C1CC[NH+](Cc2c(C)nn(CCO)c2C)CC1 ZINC001329426098 915904809 /nfs/dbraw/zinc/90/48/09/915904809.db2.gz CYEAZUTVSDAOJG-UHFFFAOYSA-N 2 2 266.389 0.676 20 0 CCADLP C[C@@H](C(=O)N[C@@H]1CC[NH2+]CC1(C)C)n1cc[nH+]c1 ZINC001329568682 916015757 /nfs/dbraw/zinc/01/57/57/916015757.db2.gz KWNBMGDTYFGLON-WDEREUQCSA-N 2 2 250.346 0.948 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnsn1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001401237947 916137933 /nfs/dbraw/zinc/13/79/33/916137933.db2.gz FDIKTMHIUKOKCH-CMPLNLGQSA-N 2 2 297.428 0.569 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnsn1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001401237947 916137946 /nfs/dbraw/zinc/13/79/46/916137946.db2.gz FDIKTMHIUKOKCH-CMPLNLGQSA-N 2 2 297.428 0.569 20 0 CCADLP C[C@@H](C[NH2+]C[C@H]1CCOC1)N(C)C(=O)Cc1c[nH+]cn1C ZINC001401260078 916149440 /nfs/dbraw/zinc/14/94/40/916149440.db2.gz WTPCWDNHSYTJBV-QWHCGFSZSA-N 2 2 294.399 0.436 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]CCO ZINC001401328140 916175217 /nfs/dbraw/zinc/17/52/17/916175217.db2.gz JAMUHOFTEDUZET-TZMCWYRMSA-N 2 2 294.399 0.168 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001401699660 916488525 /nfs/dbraw/zinc/48/85/25/916488525.db2.gz IPVFCHBVUSSMAY-HOSYDEDBSA-N 2 2 295.387 0.628 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001401699660 916488529 /nfs/dbraw/zinc/48/85/29/916488529.db2.gz IPVFCHBVUSSMAY-HOSYDEDBSA-N 2 2 295.387 0.628 20 0 CCADLP COCC[N@@H+]1CC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001401912840 916680963 /nfs/dbraw/zinc/68/09/63/916680963.db2.gz TZXMSGRHSOZTKF-ZDUSSCGKSA-N 2 2 280.372 0.190 20 0 CCADLP COCC[N@H+]1CC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001401912840 916680976 /nfs/dbraw/zinc/68/09/76/916680976.db2.gz TZXMSGRHSOZTKF-ZDUSSCGKSA-N 2 2 280.372 0.190 20 0 CCADLP CC[NH2+]C1(CNC(=O)CCc2[nH+]ccn2C)CCOCC1 ZINC001402228450 916881529 /nfs/dbraw/zinc/88/15/29/916881529.db2.gz FWXPRHXTQBIECP-UHFFFAOYSA-N 2 2 294.399 0.628 20 0 CCADLP COC[C@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001402935493 917358895 /nfs/dbraw/zinc/35/88/95/917358895.db2.gz NAKMHPXOTZAHKR-UONOGXRCSA-N 2 2 294.399 0.841 20 0 CCADLP COC[C@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001402935493 917358910 /nfs/dbraw/zinc/35/89/10/917358910.db2.gz NAKMHPXOTZAHKR-UONOGXRCSA-N 2 2 294.399 0.841 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[N@@H+](C)Cc1ocnc1C ZINC001403623053 917853660 /nfs/dbraw/zinc/85/36/60/917853660.db2.gz GHZIGLVMSLVNQD-UHFFFAOYSA-N 2 2 291.355 0.736 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[N@H+](C)Cc1ocnc1C ZINC001403623053 917853673 /nfs/dbraw/zinc/85/36/73/917853673.db2.gz GHZIGLVMSLVNQD-UHFFFAOYSA-N 2 2 291.355 0.736 20 0 CCADLP CC[C@@H](C)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001403876987 918079765 /nfs/dbraw/zinc/07/97/65/918079765.db2.gz GMQSCFKPRRPEQC-TZMCWYRMSA-N 2 2 296.415 0.418 20 0 CCADLP CN(C[C@H](O)C[N@H+](C)CC1CCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001403920735 918116765 /nfs/dbraw/zinc/11/67/65/918116765.db2.gz MAWQXCNWUMFYFS-CQSZACIVSA-N 2 2 294.399 0.503 20 0 CCADLP CN(C[C@H](O)C[N@@H+](C)CC1CCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001403920735 918116778 /nfs/dbraw/zinc/11/67/78/918116778.db2.gz MAWQXCNWUMFYFS-CQSZACIVSA-N 2 2 294.399 0.503 20 0 CCADLP CC[N@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)[C@H](C)COC ZINC001403939442 918137635 /nfs/dbraw/zinc/13/76/35/918137635.db2.gz KSWYKCVVULJVMJ-LLVKDONJSA-N 2 2 282.388 0.734 20 0 CCADLP CC[N@@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)[C@H](C)COC ZINC001403939442 918137645 /nfs/dbraw/zinc/13/76/45/918137645.db2.gz KSWYKCVVULJVMJ-LLVKDONJSA-N 2 2 282.388 0.734 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC001332532521 918259295 /nfs/dbraw/zinc/25/92/95/918259295.db2.gz LQYIWPSELRXWAQ-XYPYZODXSA-N 2 2 265.361 0.737 20 0 CCADLP COC[C@@H](C)[NH2+]CCN(C)C(=O)CCc1[nH+]ccn1C ZINC001404332093 918311308 /nfs/dbraw/zinc/31/13/08/918311308.db2.gz ZNQOCEKKWWUJKB-GFCCVEGCSA-N 2 2 282.388 0.436 20 0 CCADLP C[C@@H](O)CCC[NH+]1CC(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001404924149 918521151 /nfs/dbraw/zinc/52/11/51/918521151.db2.gz RNLXLKZJPWQXNL-GFCCVEGCSA-N 2 2 294.399 0.172 20 0 CCADLP CC(C)C[C@H](C[NH2+]C[C@@H](C)O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001405940500 918979360 /nfs/dbraw/zinc/97/93/60/918979360.db2.gz NIRSTJVNRPDBMS-VXGBXAGGSA-N 2 2 282.388 0.454 20 0 CCADLP Cc1oncc1C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001406077788 919036012 /nfs/dbraw/zinc/03/60/12/919036012.db2.gz KMKXQBKXTOMSIY-AWEZNQCLSA-N 2 2 294.399 0.967 20 0 CCADLP Cc1oncc1C[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001406077788 919036021 /nfs/dbraw/zinc/03/60/21/919036021.db2.gz KMKXQBKXTOMSIY-AWEZNQCLSA-N 2 2 294.399 0.967 20 0 CCADLP Cc1oncc1C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001406077788 919036035 /nfs/dbraw/zinc/03/60/35/919036035.db2.gz KMKXQBKXTOMSIY-AWEZNQCLSA-N 2 2 294.399 0.967 20 0 CCADLP Cc1oncc1C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001406077788 919036045 /nfs/dbraw/zinc/03/60/45/919036045.db2.gz KMKXQBKXTOMSIY-AWEZNQCLSA-N 2 2 294.399 0.967 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N2CC([NH+](C)C)C2)c[nH+]1 ZINC001333750027 919138258 /nfs/dbraw/zinc/13/82/58/919138258.db2.gz VKFFHRHMZWFXJN-UHFFFAOYSA-N 2 2 250.346 0.699 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)[nH]1 ZINC001406377916 919223315 /nfs/dbraw/zinc/22/33/15/919223315.db2.gz HHQSCGZWERYBIP-CKYFFXLPSA-N 2 2 294.403 0.363 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)[nH]1 ZINC001406377916 919223327 /nfs/dbraw/zinc/22/33/27/919223327.db2.gz HHQSCGZWERYBIP-CKYFFXLPSA-N 2 2 294.403 0.363 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H](C[NH2+]Cc1ccccn1)C1CC1 ZINC001406806741 919469822 /nfs/dbraw/zinc/46/98/22/919469822.db2.gz LDJBHXGXGKEPNC-OAHLLOKOSA-N 2 2 299.378 0.963 20 0 CCADLP CC[C@H](C[N@@H+]1CC[C@@H]1CNC(=O)CCn1cc[nH+]c1)OC ZINC001406856132 919502951 /nfs/dbraw/zinc/50/29/51/919502951.db2.gz ZEAWCWYCDBNJON-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP CC[C@H](C[N@H+]1CC[C@@H]1CNC(=O)CCn1cc[nH+]c1)OC ZINC001406856132 919502961 /nfs/dbraw/zinc/50/29/61/919502961.db2.gz ZEAWCWYCDBNJON-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP CC[NH+](CC)C[C@H](F)C(=O)N(C)C1C[NH+](CCCO)C1 ZINC001407054844 919591483 /nfs/dbraw/zinc/59/14/83/919591483.db2.gz OQUONPYCODNZHM-ZDUSSCGKSA-N 2 2 289.395 0.191 20 0 CCADLP CC[C@H](C[NH2+]C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1)OC ZINC001407098353 919614222 /nfs/dbraw/zinc/61/42/22/919614222.db2.gz HXNSRGXUARRHDS-QWHCGFSZSA-N 2 2 294.399 0.958 20 0 CCADLP CC(C)[NH2+]CCN(CCO)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001407649011 919841480 /nfs/dbraw/zinc/84/14/80/919841480.db2.gz BWRNAGDLMVRYLL-CYBMUJFWSA-N 2 2 282.388 0.653 20 0 CCADLP CC[C@H](O)CCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001335623225 920331090 /nfs/dbraw/zinc/33/10/90/920331090.db2.gz MRQWGASDOURYPF-ZDUSSCGKSA-N 2 2 286.420 0.260 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H](O)c1ccncc1)C1CC1 ZINC001336702821 920939530 /nfs/dbraw/zinc/93/95/30/920939530.db2.gz GCUJEOHTWRXKHW-UONOGXRCSA-N 2 2 265.357 0.160 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H](O)c1ccncc1)C1CC1 ZINC001336702821 920939539 /nfs/dbraw/zinc/93/95/39/920939539.db2.gz GCUJEOHTWRXKHW-UONOGXRCSA-N 2 2 265.357 0.160 20 0 CCADLP C[C@H](CNC(=O)NCC[NH+]1CCC([NH3+])CC1)C1CC1 ZINC001336778685 921000990 /nfs/dbraw/zinc/00/09/90/921000990.db2.gz LEBQDAYNYJVTRG-LLVKDONJSA-N 2 2 268.405 0.755 20 0 CCADLP CC(C)COC[C@@H](O)C[NH2+][C@H]1Cc2c[nH+]cn2C1 ZINC001336827755 921045012 /nfs/dbraw/zinc/04/50/12/921045012.db2.gz BOMQFBMUBRAEFT-AAEUAGOBSA-N 2 2 253.346 0.431 20 0 CCADLP CC(C)COC[C@H](O)C[NH2+][C@@H]1Cc2c[nH+]cn2C1 ZINC001336827756 921045936 /nfs/dbraw/zinc/04/59/36/921045936.db2.gz BOMQFBMUBRAEFT-DGCLKSJQSA-N 2 2 253.346 0.431 20 0 CCADLP Cc1noc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001418209948 921917305 /nfs/dbraw/zinc/91/73/05/921917305.db2.gz FPVRKBYRPPUNTL-KOLCDFICSA-N 2 2 281.360 0.067 20 0 CCADLP Cc1noc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001418209948 921917319 /nfs/dbraw/zinc/91/73/19/921917319.db2.gz FPVRKBYRPPUNTL-KOLCDFICSA-N 2 2 281.360 0.067 20 0 CCADLP CC[N@@H+]1CCC[C@H](CNC(=O)C[C@@H]([NH3+])C(F)F)C1 ZINC001340190940 922004397 /nfs/dbraw/zinc/00/43/97/922004397.db2.gz PKTFVPACHWGHLL-NXEZZACHSA-N 2 2 263.332 0.817 20 0 CCADLP CC[N@H+]1CCC[C@H](CNC(=O)C[C@@H]([NH3+])C(F)F)C1 ZINC001340190940 922004405 /nfs/dbraw/zinc/00/44/05/922004405.db2.gz PKTFVPACHWGHLL-NXEZZACHSA-N 2 2 263.332 0.817 20 0 CCADLP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+]Cc1nnc(C)o1 ZINC001418304143 922006295 /nfs/dbraw/zinc/00/62/95/922006295.db2.gz PXPMQNWAEZHZIH-JTQLQIEISA-N 2 2 283.376 0.314 20 0 CCADLP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+]Cc1nnc(C)o1 ZINC001418304143 922006311 /nfs/dbraw/zinc/00/63/11/922006311.db2.gz PXPMQNWAEZHZIH-JTQLQIEISA-N 2 2 283.376 0.314 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC001340310665 922048845 /nfs/dbraw/zinc/04/88/45/922048845.db2.gz BDQQSUXDLDNLMT-FOGDFJRCSA-N 2 2 262.357 0.780 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC(C)(C)CC[NH3+] ZINC001340366433 922067914 /nfs/dbraw/zinc/06/79/14/922067914.db2.gz ZSKCMJCZHIAGEP-NXEZZACHSA-N 2 2 250.346 0.767 20 0 CCADLP C[C@@]1(C(=O)Nc2ccc3[nH+]ccn3c2)C[C@H](O)C[NH2+]1 ZINC001340633074 922148422 /nfs/dbraw/zinc/14/84/22/922148422.db2.gz DCFINUCEEIYSBG-GWCFXTLKSA-N 2 2 260.297 0.386 20 0 CCADLP [NH3+]CCN(CC(F)(F)F)C(=O)C[C@H]([NH3+])C(F)F ZINC001340844256 922239601 /nfs/dbraw/zinc/23/96/01/922239601.db2.gz DUBWYFNAQBLZHN-YFKPBYRVSA-N 2 2 263.210 0.319 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001418603049 922302583 /nfs/dbraw/zinc/30/25/83/922302583.db2.gz BWRIQKWAPHAOGD-AAEUAGOBSA-N 2 2 294.399 0.828 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001418603049 922302597 /nfs/dbraw/zinc/30/25/97/922302597.db2.gz BWRIQKWAPHAOGD-AAEUAGOBSA-N 2 2 294.399 0.828 20 0 CCADLP [NH3+]CC1(CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001341306276 922417045 /nfs/dbraw/zinc/41/70/45/922417045.db2.gz QINDPLKZINGUEH-NSHDSACASA-N 2 2 262.357 0.691 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001341472423 922504948 /nfs/dbraw/zinc/50/49/48/922504948.db2.gz HPPQBXMNKMKZPF-AXFHLTTASA-N 2 2 250.346 0.845 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001341472423 922504962 /nfs/dbraw/zinc/50/49/62/922504962.db2.gz HPPQBXMNKMKZPF-AXFHLTTASA-N 2 2 250.346 0.845 20 0 CCADLP C[C@@H]1[NH2+]CCn2c(C(=O)N3CC[NH+](C)CC3)ccc21 ZINC001341635237 922594508 /nfs/dbraw/zinc/59/45/08/922594508.db2.gz WEWZEIKMHUDKNF-NSHDSACASA-N 2 2 262.357 0.540 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001419109486 922637593 /nfs/dbraw/zinc/63/75/93/922637593.db2.gz FQBRAGJFIFIGNM-OLZOCXBDSA-N 2 2 280.372 0.187 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001419109486 922637606 /nfs/dbraw/zinc/63/76/06/922637606.db2.gz FQBRAGJFIFIGNM-OLZOCXBDSA-N 2 2 280.372 0.187 20 0 CCADLP O=C(NCCC[NH2+]C1CC1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001342002292 922757401 /nfs/dbraw/zinc/75/74/01/922757401.db2.gz CCPAWCMYPWJTFW-HNNXBMFYSA-N 2 2 295.427 0.888 20 0 CCADLP O=C(NCCC[NH2+]C1CC1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001342002292 922757419 /nfs/dbraw/zinc/75/74/19/922757419.db2.gz CCPAWCMYPWJTFW-HNNXBMFYSA-N 2 2 295.427 0.888 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]([NH2+]C[C@H]1CCOC1)C1CC1 ZINC001419328337 922771222 /nfs/dbraw/zinc/77/12/22/922771222.db2.gz SFHPAWFQLWMDQI-TZMCWYRMSA-N 2 2 292.383 0.404 20 0 CCADLP CC(C)[NH2+]C[C@](C)(NC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001419339912 922775875 /nfs/dbraw/zinc/77/58/75/922775875.db2.gz NEMREUDZWVYINJ-HIFRSBDPSA-N 2 2 283.416 0.600 20 0 CCADLP CC(C)[NH2+]C[C@](C)(NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001419339912 922775888 /nfs/dbraw/zinc/77/58/88/922775888.db2.gz NEMREUDZWVYINJ-HIFRSBDPSA-N 2 2 283.416 0.600 20 0 CCADLP C[NH2+]CCCC(=O)N[C@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC001342142957 922829067 /nfs/dbraw/zinc/82/90/67/922829067.db2.gz MYPHTDZSKYSVSU-LBPRGKRZSA-N 2 2 294.399 0.157 20 0 CCADLP C[NH2+]C1CC(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)C1 ZINC001342204905 922860572 /nfs/dbraw/zinc/86/05/72/922860572.db2.gz STYLEHYZKTZRGB-ZSVAQUKISA-N 2 2 269.389 0.210 20 0 CCADLP C[NH2+]C1CC(C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)C1 ZINC001342204905 922860582 /nfs/dbraw/zinc/86/05/82/922860582.db2.gz STYLEHYZKTZRGB-ZSVAQUKISA-N 2 2 269.389 0.210 20 0 CCADLP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnsn2)C1)[NH+](C)C ZINC001419491152 922872146 /nfs/dbraw/zinc/87/21/46/922872146.db2.gz HZQAFBFESRHSJT-JFGNBEQYSA-N 2 2 297.428 0.615 20 0 CCADLP O=C(NCc1c[nH+]c2n1CCC2)C1C[NH+]([C@H]2CCOC2)C1 ZINC001419539510 922902464 /nfs/dbraw/zinc/90/24/64/922902464.db2.gz QPFHCXQPZCDSLS-LBPRGKRZSA-N 2 2 290.367 0.166 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C[C@@H]1CCC[NH2+]1 ZINC001342303457 922902814 /nfs/dbraw/zinc/90/28/14/922902814.db2.gz NNOUGEZYMJTNLT-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1C[N@H+](CC2CCC2)CCO1 ZINC001419576182 922925897 /nfs/dbraw/zinc/92/58/97/922925897.db2.gz AQIWWADQLQBQHP-CQSZACIVSA-N 2 2 292.383 0.500 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1C[N@@H+](CC2CCC2)CCO1 ZINC001419576182 922925911 /nfs/dbraw/zinc/92/59/11/922925911.db2.gz AQIWWADQLQBQHP-CQSZACIVSA-N 2 2 292.383 0.500 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH2+]Cc1nccn1C ZINC001419792772 923100140 /nfs/dbraw/zinc/10/01/40/923100140.db2.gz QTLJBTIZWXXCNR-NSHDSACASA-N 2 2 290.371 0.220 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@@H]([NH3+])C[C@@H](C)CC)CC1 ZINC001343372157 923286981 /nfs/dbraw/zinc/28/69/81/923286981.db2.gz QBLHSBYIOYJTIJ-KBPBESRZSA-N 2 2 285.432 0.931 20 0 CCADLP C[NH+]1CCN(C(=O)c2cc3n(n2)CCC[C@@H]3[NH3+])CC1 ZINC001343460086 923327567 /nfs/dbraw/zinc/32/75/67/923327567.db2.gz VWUWHPRMACOODR-JTQLQIEISA-N 2 2 263.345 0.064 20 0 CCADLP [NH3+]CC[C@H](NC(=O)C[C@@H]([NH3+])C(F)F)C(F)(F)F ZINC001343505461 923354270 /nfs/dbraw/zinc/35/42/70/923354270.db2.gz NHBRTBXBSZUVRN-UHNVWZDZSA-N 2 2 263.210 0.365 20 0 CCADLP CCn1cc(C(=O)NCC[NH+]2CCC([NH3+])CC2)cn1 ZINC001344709304 923672462 /nfs/dbraw/zinc/67/24/62/923672462.db2.gz ZKSBENWKVHKJCF-UHFFFAOYSA-N 2 2 265.361 0.056 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)C1CC([NH2+]C)C1 ZINC001344811750 923691609 /nfs/dbraw/zinc/69/16/09/923691609.db2.gz KIOGIPRTMNEOGM-CPCZMJQVSA-N 2 2 269.389 0.211 20 0 CCADLP Cc1oncc1C[NH2+]C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001420480332 923703974 /nfs/dbraw/zinc/70/39/74/923703974.db2.gz WYMAJFWREPEURI-VIFPVBQESA-N 2 2 277.328 0.543 20 0 CCADLP Cc1nn(C)cc1C[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001420525951 923749150 /nfs/dbraw/zinc/74/91/50/923749150.db2.gz YYSUURXGUSORNR-NSHDSACASA-N 2 2 290.371 0.220 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCCC[NH+]1CCCC1 ZINC001346107666 924074577 /nfs/dbraw/zinc/07/45/77/924074577.db2.gz VDJVCZACEOVWJW-UHFFFAOYSA-N 2 2 264.373 0.955 20 0 CCADLP CC(C)OCC[NH+]1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001421093627 924145008 /nfs/dbraw/zinc/14/50/08/924145008.db2.gz TXXGOJKXHIMLJH-UHFFFAOYSA-N 2 2 295.427 0.650 20 0 CCADLP CC[N@@H+]1CCN(C(=O)CCc2[nH+]ccn2C)[C@@H](C)C1 ZINC001347575081 924484308 /nfs/dbraw/zinc/48/43/08/924484308.db2.gz VFVICPXBWCBHDL-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP CC[N@H+]1CCN(C(=O)CCc2[nH+]ccn2C)[C@@H](C)C1 ZINC001347575081 924484310 /nfs/dbraw/zinc/48/43/10/924484310.db2.gz VFVICPXBWCBHDL-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP C[C@@H]1COCCN1CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC001350953917 925321593 /nfs/dbraw/zinc/32/15/93/925321593.db2.gz ADVHUMNBROLWFZ-OLZOCXBDSA-N 2 2 253.390 0.581 20 0 CCADLP CCN1C[C@H](C[N@@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)OC1=O ZINC001352923947 925673627 /nfs/dbraw/zinc/67/36/27/925673627.db2.gz ARVHCCRABKIILX-AVGNSLFASA-N 2 2 267.373 0.853 20 0 CCADLP CCN1C[C@H](C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)OC1=O ZINC001352923947 925673632 /nfs/dbraw/zinc/67/36/32/925673632.db2.gz ARVHCCRABKIILX-AVGNSLFASA-N 2 2 267.373 0.853 20 0 CCADLP CCN1C[C@H](C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)OC1=O ZINC001352923947 925673636 /nfs/dbraw/zinc/67/36/36/925673636.db2.gz ARVHCCRABKIILX-AVGNSLFASA-N 2 2 267.373 0.853 20 0 CCADLP CCN1C[C@H](C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)OC1=O ZINC001352923947 925673641 /nfs/dbraw/zinc/67/36/41/925673641.db2.gz ARVHCCRABKIILX-AVGNSLFASA-N 2 2 267.373 0.853 20 0 CCADLP [NH3+][C@@H](CC(=O)N[C@@H]1C[NH2+]CCC1(F)F)C(F)F ZINC001357475228 926544560 /nfs/dbraw/zinc/54/45/60/926544560.db2.gz VMBIWHZXAFRZPO-NTSWFWBYSA-N 2 2 257.231 0.082 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@]1(O)CC[N@H+](CCCF)C1 ZINC001421352845 926692872 /nfs/dbraw/zinc/69/28/72/926692872.db2.gz VFWDZQHUFZUTAH-AWEZNQCLSA-N 2 2 298.362 0.255 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@]1(O)CC[N@@H+](CCCF)C1 ZINC001421352845 926692884 /nfs/dbraw/zinc/69/28/84/926692884.db2.gz VFWDZQHUFZUTAH-AWEZNQCLSA-N 2 2 298.362 0.255 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@]1(O)CC[N@H+](CCCF)C1 ZINC001421352845 926692898 /nfs/dbraw/zinc/69/28/98/926692898.db2.gz VFWDZQHUFZUTAH-AWEZNQCLSA-N 2 2 298.362 0.255 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@]1(O)CC[N@@H+](CCCF)C1 ZINC001421352845 926692907 /nfs/dbraw/zinc/69/29/07/926692907.db2.gz VFWDZQHUFZUTAH-AWEZNQCLSA-N 2 2 298.362 0.255 20 0 CCADLP CCC[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC001413981105 926723781 /nfs/dbraw/zinc/72/37/81/926723781.db2.gz ROEUNFZSAACGBC-ZIAGYGMSSA-N 2 2 283.416 0.562 20 0 CCADLP CCC[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC001413981105 926723789 /nfs/dbraw/zinc/72/37/89/926723789.db2.gz ROEUNFZSAACGBC-ZIAGYGMSSA-N 2 2 283.416 0.562 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001421717766 926872941 /nfs/dbraw/zinc/87/29/41/926872941.db2.gz JAEFMGAIJHHRCI-VXGBXAGGSA-N 2 2 280.372 0.304 20 0 CCADLP CC1CC(C[NH2+]C[C@H](O)CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001422384494 927257822 /nfs/dbraw/zinc/25/78/22/927257822.db2.gz AEGIZDXOKMDVCK-MCIGGMRASA-N 2 2 280.372 0.065 20 0 CCADLP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1cnsn1 ZINC001422444656 927282341 /nfs/dbraw/zinc/28/23/41/927282341.db2.gz VDOBYDXMFOWPDV-WDEREUQCSA-N 2 2 297.428 0.617 20 0 CCADLP Cc1nonc1C[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001422599188 927398861 /nfs/dbraw/zinc/39/88/61/927398861.db2.gz FTOQVCPPDNRMSS-SECBINFHSA-N 2 2 292.343 0.177 20 0 CCADLP Cc1nnc(C[NH2+]C[C@H](C)NC(=O)C2CC[NH+](C)CC2)o1 ZINC001422695216 927456000 /nfs/dbraw/zinc/45/60/00/927456000.db2.gz JHZUZZOVGUGGPU-JTQLQIEISA-N 2 2 295.387 0.314 20 0 CCADLP C[C@@H](C[NH2+]Cc1csnn1)NC(=O)C[NH+]1CCCC1 ZINC001422745185 927484419 /nfs/dbraw/zinc/48/44/19/927484419.db2.gz MKKALHFIZVAWSN-JTQLQIEISA-N 2 2 283.401 0.228 20 0 CCADLP C[C@@H](O)CCC[NH+]1CC([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001422742270 927484801 /nfs/dbraw/zinc/48/48/01/927484801.db2.gz UXLDKWDWURCVCK-NEPJUHHUSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC001362071138 927582888 /nfs/dbraw/zinc/58/28/88/927582888.db2.gz FDNNAPMQYWKSML-MGPQQGTHSA-N 2 2 285.432 0.800 20 0 CCADLP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1cnon1 ZINC001423166409 927705057 /nfs/dbraw/zinc/70/50/57/927705057.db2.gz LZUDLMWORYPAIY-LLVKDONJSA-N 2 2 281.360 0.102 20 0 CCADLP C[NH+]1CCC(CCO)(NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001362274286 927811918 /nfs/dbraw/zinc/81/19/18/927811918.db2.gz BCPTXWWSRHBBAF-UHFFFAOYSA-N 2 2 294.399 0.626 20 0 CCADLP CC(C)OCC[NH+]1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001423407458 927843841 /nfs/dbraw/zinc/84/38/41/927843841.db2.gz CIPBYIYESIHOGF-UHFFFAOYSA-N 2 2 297.443 0.896 20 0 CCADLP CCCC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001423533524 927912295 /nfs/dbraw/zinc/91/22/95/927912295.db2.gz KHDYKKYBEUEKBH-CQSZACIVSA-N 2 2 296.415 0.514 20 0 CCADLP CCCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001423533524 927912305 /nfs/dbraw/zinc/91/23/05/927912305.db2.gz KHDYKKYBEUEKBH-CQSZACIVSA-N 2 2 296.415 0.514 20 0 CCADLP CO[C@H](C)C[NH2+]C1CC(N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001423681188 927957170 /nfs/dbraw/zinc/95/71/70/927957170.db2.gz GZEISLQWRFWNKJ-QFWMXSHPSA-N 2 2 294.399 0.875 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@H](C[NH2+]CC(C)C)C1 ZINC001424245110 928134584 /nfs/dbraw/zinc/13/45/84/928134584.db2.gz WCWSNCUMAZQIJZ-CYBMUJFWSA-N 2 2 294.399 0.734 20 0 CCADLP CC(C)C[NH2+]CC1(NC(=O)Cc2c[nH]c[nH+]2)CCOCC1 ZINC001424425963 928182543 /nfs/dbraw/zinc/18/25/43/928182543.db2.gz BHNCUPNACIZEKB-UHFFFAOYSA-N 2 2 294.399 0.863 20 0 CCADLP CO[C@@H](C)C[NH+]1CC([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001425240738 928475173 /nfs/dbraw/zinc/47/51/73/928475173.db2.gz DPLQGJRWTDFFMR-WDEREUQCSA-N 2 2 280.372 0.424 20 0 CCADLP CC(C)[C@@H](CCNC(=O)Cc1c[nH+]cn1C)[NH2+]C[C@@H](C)O ZINC001425466056 928554242 /nfs/dbraw/zinc/55/42/42/928554242.db2.gz NMBMGZWYLOMTIK-TZMCWYRMSA-N 2 2 296.415 0.464 20 0 CCADLP Cc1nonc1C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001425696309 928627592 /nfs/dbraw/zinc/62/75/92/928627592.db2.gz NWXVNLAEOLFCFK-NSHDSACASA-N 2 2 297.403 0.655 20 0 CCADLP Cc1nonc1C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001425696309 928627599 /nfs/dbraw/zinc/62/75/99/928627599.db2.gz NWXVNLAEOLFCFK-NSHDSACASA-N 2 2 297.403 0.655 20 0 CCADLP Cc1nnc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CC[NH+](C)C)C2)o1 ZINC001425909331 928705204 /nfs/dbraw/zinc/70/52/04/928705204.db2.gz RTALNUHAIVGBCF-ZYHUDNBSSA-N 2 2 295.387 0.409 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001362985969 928727337 /nfs/dbraw/zinc/72/73/37/928727337.db2.gz ASPNKBMIYJZVTE-MNOVXSKESA-N 2 2 278.356 0.178 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001362985969 928727344 /nfs/dbraw/zinc/72/73/44/928727344.db2.gz ASPNKBMIYJZVTE-MNOVXSKESA-N 2 2 278.356 0.178 20 0 CCADLP CC[N@@H+]1CC[C@H]1C(=O)N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC001363354614 929140531 /nfs/dbraw/zinc/14/05/31/929140531.db2.gz HWHNHIYEPCRWAQ-GJZGRUSLSA-N 2 2 289.379 0.959 20 0 CCADLP CC[N@H+]1CC[C@H]1C(=O)N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC001363354614 929140537 /nfs/dbraw/zinc/14/05/37/929140537.db2.gz HWHNHIYEPCRWAQ-GJZGRUSLSA-N 2 2 289.379 0.959 20 0 CCADLP C[NH+](C)CC[C@](C)(O)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001363712517 929511251 /nfs/dbraw/zinc/51/12/51/929511251.db2.gz TXRWHRBQMFCIOH-WFASDCNBSA-N 2 2 294.399 0.264 20 0 CCADLP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CC([NH2+]C2COC2)C1 ZINC001363769489 929558585 /nfs/dbraw/zinc/55/85/85/929558585.db2.gz SXLPSBQITYVKLU-HNNXBMFYSA-N 2 2 293.411 0.593 20 0 CCADLP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CC([NH2+]C2COC2)C1 ZINC001363769489 929558588 /nfs/dbraw/zinc/55/85/88/929558588.db2.gz SXLPSBQITYVKLU-HNNXBMFYSA-N 2 2 293.411 0.593 20 0 CCADLP C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]C[C@@H]1CCCOC1 ZINC001371857631 929648425 /nfs/dbraw/zinc/64/84/25/929648425.db2.gz AYGQUNMBCZWKKH-STQMWFEESA-N 2 2 294.399 0.863 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC1C[NH+](C/C=C\Cl)C1 ZINC001443645939 929665932 /nfs/dbraw/zinc/66/59/32/929665932.db2.gz BFOTUPGTVWHDJF-IHWYPQMZSA-N 2 2 282.775 0.992 20 0 CCADLP CO[C@H](C)C[N@H+](C)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001372032236 929711204 /nfs/dbraw/zinc/71/12/04/929711204.db2.gz RKANPNDMZNPMLZ-OLZOCXBDSA-N 2 2 294.399 0.528 20 0 CCADLP CO[C@H](C)C[N@@H+](C)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001372032236 929711214 /nfs/dbraw/zinc/71/12/14/929711214.db2.gz RKANPNDMZNPMLZ-OLZOCXBDSA-N 2 2 294.399 0.528 20 0 CCADLP CC[C@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]C[C@H](C)O ZINC001443969468 929756028 /nfs/dbraw/zinc/75/60/28/929756028.db2.gz SKZTVNCSWOYDGT-NWDGAFQWSA-N 2 2 290.367 0.813 20 0 CCADLP CC[N@H+](CCF)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001372475245 929840559 /nfs/dbraw/zinc/84/05/59/929840559.db2.gz GTLNMIXPIGGPAE-LBPRGKRZSA-N 2 2 275.368 0.115 20 0 CCADLP CC[N@@H+](CCF)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001372475245 929840572 /nfs/dbraw/zinc/84/05/72/929840572.db2.gz GTLNMIXPIGGPAE-LBPRGKRZSA-N 2 2 275.368 0.115 20 0 CCADLP CC[NH+](CCF)CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001372475245 929840588 /nfs/dbraw/zinc/84/05/88/929840588.db2.gz GTLNMIXPIGGPAE-LBPRGKRZSA-N 2 2 275.368 0.115 20 0 CCADLP CC[NH+](CCF)CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001372475245 929840603 /nfs/dbraw/zinc/84/06/03/929840603.db2.gz GTLNMIXPIGGPAE-LBPRGKRZSA-N 2 2 275.368 0.115 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)CCCn1cc[nH+]c1 ZINC001444732542 929941898 /nfs/dbraw/zinc/94/18/98/929941898.db2.gz UZWRCVFGWZIFPR-CHWSQXEVSA-N 2 2 282.388 0.481 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001373253415 930119213 /nfs/dbraw/zinc/11/92/13/930119213.db2.gz PMPMWOSOKWUOQI-OLZOCXBDSA-N 2 2 280.372 0.092 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001373253415 930119218 /nfs/dbraw/zinc/11/92/18/930119218.db2.gz PMPMWOSOKWUOQI-OLZOCXBDSA-N 2 2 280.372 0.092 20 0 CCADLP Cc1noc([C@H](C)[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001445587392 930176334 /nfs/dbraw/zinc/17/63/34/930176334.db2.gz CDIWVHSWBCFOGO-JBLDHEPKSA-N 2 2 295.387 0.628 20 0 CCADLP Cc1noc([C@H](C)[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001445587392 930176342 /nfs/dbraw/zinc/17/63/42/930176342.db2.gz CDIWVHSWBCFOGO-JBLDHEPKSA-N 2 2 295.387 0.628 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC1C[NH+](C[C@@H]2CCOC2)C1 ZINC001373510083 930225480 /nfs/dbraw/zinc/22/54/80/930225480.db2.gz OKRMMWDJRXAMLZ-LBPRGKRZSA-N 2 2 292.383 0.427 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC1C[NH+](C[C@@H]2CCOC2)C1 ZINC001373510083 930225490 /nfs/dbraw/zinc/22/54/90/930225490.db2.gz OKRMMWDJRXAMLZ-LBPRGKRZSA-N 2 2 292.383 0.427 20 0 CCADLP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccnc1 ZINC001373573794 930249627 /nfs/dbraw/zinc/24/96/27/930249627.db2.gz GDQYMEYQPKOOED-GJZGRUSLSA-N 2 2 288.395 0.818 20 0 CCADLP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccnc1 ZINC001373573794 930249638 /nfs/dbraw/zinc/24/96/38/930249638.db2.gz GDQYMEYQPKOOED-GJZGRUSLSA-N 2 2 288.395 0.818 20 0 CCADLP C[C@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001446214485 930369195 /nfs/dbraw/zinc/36/91/95/930369195.db2.gz JOLUNYREXJPLEB-NWDGAFQWSA-N 2 2 292.383 0.065 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]Cc1nccs1 ZINC001374082563 930419672 /nfs/dbraw/zinc/41/96/72/930419672.db2.gz XDXKLWGDPDQRIX-SNVBAGLBSA-N 2 2 293.396 0.951 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@]1(C)CC[N@H+](CC2CC2)C1 ZINC001446551250 930434145 /nfs/dbraw/zinc/43/41/45/930434145.db2.gz OONPJCZPTPKTGV-HNNXBMFYSA-N 2 2 276.384 0.953 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@]1(C)CC[N@@H+](CC2CC2)C1 ZINC001446551250 930434152 /nfs/dbraw/zinc/43/41/52/930434152.db2.gz OONPJCZPTPKTGV-HNNXBMFYSA-N 2 2 276.384 0.953 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[N@H+](C)CCCO ZINC001448043863 930798102 /nfs/dbraw/zinc/79/81/02/930798102.db2.gz IOUQAFPWBKSFPP-CHWSQXEVSA-N 2 2 294.399 0.264 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[N@@H+](C)CCCO ZINC001448043863 930798107 /nfs/dbraw/zinc/79/81/07/930798107.db2.gz IOUQAFPWBKSFPP-CHWSQXEVSA-N 2 2 294.399 0.264 20 0 CCADLP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]C[C@@H]1CCCCO1 ZINC001448788726 930983568 /nfs/dbraw/zinc/98/35/68/930983568.db2.gz FINPRPYSOYPKKX-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N[C@@]2(C)CC[NH+](CCF)C2)C1 ZINC001375844446 930990293 /nfs/dbraw/zinc/99/02/93/930990293.db2.gz PMYXQSOEOUHVOV-JSGCOSHPSA-N 2 2 271.380 0.878 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@]2(C)CC[NH+](CCF)C2)C1 ZINC001375844446 930990297 /nfs/dbraw/zinc/99/02/97/930990297.db2.gz PMYXQSOEOUHVOV-JSGCOSHPSA-N 2 2 271.380 0.878 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)N[C@@]2(C)CC[N@H+](CCF)C2)C1 ZINC001375844446 930990304 /nfs/dbraw/zinc/99/03/04/930990304.db2.gz PMYXQSOEOUHVOV-JSGCOSHPSA-N 2 2 271.380 0.878 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)N[C@@]2(C)CC[N@@H+](CCF)C2)C1 ZINC001375844446 930990312 /nfs/dbraw/zinc/99/03/12/930990312.db2.gz PMYXQSOEOUHVOV-JSGCOSHPSA-N 2 2 271.380 0.878 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]1(C)CC[N@H+](CCO)C1 ZINC001375845169 930990900 /nfs/dbraw/zinc/99/09/00/930990900.db2.gz CLQMBWPIUWLZQI-SMDDNHRTSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]1(C)CC[N@@H+](CCO)C1 ZINC001375845169 930990909 /nfs/dbraw/zinc/99/09/09/930990909.db2.gz CLQMBWPIUWLZQI-SMDDNHRTSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]1(C)CC[N@H+](CCO)C1 ZINC001375845169 930990918 /nfs/dbraw/zinc/99/09/18/930990918.db2.gz CLQMBWPIUWLZQI-SMDDNHRTSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]1(C)CC[N@@H+](CCO)C1 ZINC001375845169 930990925 /nfs/dbraw/zinc/99/09/25/930990925.db2.gz CLQMBWPIUWLZQI-SMDDNHRTSA-N 2 2 280.372 0.161 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C[NH2+]C[C@H](C)O)C(C)(C)C ZINC001449329111 931126845 /nfs/dbraw/zinc/12/68/45/931126845.db2.gz PIKUBXGPPHTPFA-GWCFXTLKSA-N 2 2 296.415 0.762 20 0 CCADLP COCC[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001376588164 931186780 /nfs/dbraw/zinc/18/67/80/931186780.db2.gz BITPCCJLYRQWRY-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP COCC[N@H+]1CCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001376588164 931186786 /nfs/dbraw/zinc/18/67/86/931186786.db2.gz BITPCCJLYRQWRY-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP Cc1cc(C[NH2+][C@H](C)CNC(=O)Cn2cc[nH+]c2C)on1 ZINC001376865319 931306890 /nfs/dbraw/zinc/30/68/90/931306890.db2.gz LJYBNPUEVNIONV-LLVKDONJSA-N 2 2 291.355 0.782 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+][C@H](C)CNC(=O)C[NH+]2CCCC2)o1 ZINC001376871465 931310121 /nfs/dbraw/zinc/31/01/21/931310121.db2.gz ASFKWQPRTJMGLU-GHMZBOCLSA-N 2 2 295.387 0.629 20 0 CCADLP CO[C@@H](C)C[N@H+](C)CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001376993093 931347243 /nfs/dbraw/zinc/34/72/43/931347243.db2.gz AUHNQHXTTUOIIY-LBPRGKRZSA-N 2 2 282.388 0.767 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001376993093 931347253 /nfs/dbraw/zinc/34/72/53/931347253.db2.gz AUHNQHXTTUOIIY-LBPRGKRZSA-N 2 2 282.388 0.767 20 0 CCADLP CS[C@H](C)C[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000573317736 334926984 /nfs/dbraw/zinc/92/69/84/334926984.db2.gz UCAAFCCIWZFHAN-LPWJVIDDSA-N 2 2 276.446 0.798 20 0 CCADLP C[NH+](C)CCC[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000094635042 282087451 /nfs/dbraw/zinc/08/74/51/282087451.db2.gz VAYUREIKHKCDLG-VXGBXAGGSA-N 2 2 262.419 0.884 20 0 CCADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000092953757 349514804 /nfs/dbraw/zinc/51/48/04/349514804.db2.gz OXVBXFAWFDKCKO-HIFRSBDPSA-N 2 2 288.395 0.724 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)OC[C@H]2C)CC1 ZINC000337474035 214105045 /nfs/dbraw/zinc/10/50/45/214105045.db2.gz RAWZQPNLNJMVTM-OLZOCXBDSA-N 2 2 283.416 0.696 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C)OC[C@H]2C)CC1 ZINC000337474035 214105048 /nfs/dbraw/zinc/10/50/48/214105048.db2.gz RAWZQPNLNJMVTM-OLZOCXBDSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H](C(=O)NCCc1cn(C)c[nH+]1)[NH+]1CC(C)C1 ZINC000655142577 412490044 /nfs/dbraw/zinc/49/00/44/412490044.db2.gz WNFIQTLZRFVUQM-NSHDSACASA-N 2 2 250.346 0.419 20 0 CCADLP COC(=O)[C@H]1CC[C@@H](C(=O)OC)[N@H+](CCn2cc[nH+]c2)C1 ZINC000599587309 361754197 /nfs/dbraw/zinc/75/41/97/361754197.db2.gz GJSWUYXNKGXFKQ-RYUDHWBXSA-N 2 2 295.339 0.310 20 0 CCADLP COC(=O)[C@H]1CC[C@@H](C(=O)OC)[N@@H+](CCn2cc[nH+]c2)C1 ZINC000599587309 361754206 /nfs/dbraw/zinc/75/42/06/361754206.db2.gz GJSWUYXNKGXFKQ-RYUDHWBXSA-N 2 2 295.339 0.310 20 0 CCADLP C[NH+]1CCC(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)CC1 ZINC000337600198 214175569 /nfs/dbraw/zinc/17/55/69/214175569.db2.gz RKMVXGOMYWBNQC-HNNXBMFYSA-N 2 2 288.395 0.896 20 0 CCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ncccc1O ZINC000617506887 365663038 /nfs/dbraw/zinc/66/30/38/365663038.db2.gz BNCVXDNHZBMTKS-LBPRGKRZSA-N 2 2 294.399 0.789 20 0 CCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ncccc1O ZINC000617506887 365663045 /nfs/dbraw/zinc/66/30/45/365663045.db2.gz BNCVXDNHZBMTKS-LBPRGKRZSA-N 2 2 294.399 0.789 20 0 CCADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000094647184 349570983 /nfs/dbraw/zinc/57/09/83/349570983.db2.gz ZAMRILSAUIJNFH-VXGBXAGGSA-N 2 2 250.346 0.778 20 0 CCADLP C[N@@H+]1CC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000600041756 361855832 /nfs/dbraw/zinc/85/58/32/361855832.db2.gz BZEKBOWRSFKMCV-LLVKDONJSA-N 2 2 286.339 0.344 20 0 CCADLP C[N@H+]1CC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000600041756 361855838 /nfs/dbraw/zinc/85/58/38/361855838.db2.gz BZEKBOWRSFKMCV-LLVKDONJSA-N 2 2 286.339 0.344 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H]2C[C@@H](O)C2)CC1 ZINC000600206055 361890153 /nfs/dbraw/zinc/89/01/53/361890153.db2.gz CKGZCIGPEVHEHO-XBXGTLAGSA-N 2 2 284.400 0.765 20 0 CCADLP CCn1c[nH+]cc1C[N@@H+]1CC[C@](OC)(C(=O)OC)C1 ZINC000600188760 361884709 /nfs/dbraw/zinc/88/47/09/361884709.db2.gz DRISCMJAXKVKCJ-CYBMUJFWSA-N 2 2 267.329 0.667 20 0 CCADLP CCn1c[nH+]cc1C[N@H+]1CC[C@](OC)(C(=O)OC)C1 ZINC000600188760 361884713 /nfs/dbraw/zinc/88/47/13/361884713.db2.gz DRISCMJAXKVKCJ-CYBMUJFWSA-N 2 2 267.329 0.667 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CCO1 ZINC000427734284 529392823 /nfs/dbraw/zinc/39/28/23/529392823.db2.gz LNSFSKJVCQVTIV-ZIAGYGMSSA-N 2 2 285.432 0.800 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CCO1 ZINC000427734284 529392826 /nfs/dbraw/zinc/39/28/26/529392826.db2.gz LNSFSKJVCQVTIV-ZIAGYGMSSA-N 2 2 285.432 0.800 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@H](C[NH3+])C2CC2)CCO1 ZINC000418405401 529392556 /nfs/dbraw/zinc/39/25/56/529392556.db2.gz RCBYSOSULONLTH-CHWSQXEVSA-N 2 2 284.404 0.134 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@H](C[NH3+])C2CC2)CCO1 ZINC000418405401 529392558 /nfs/dbraw/zinc/39/25/58/529392558.db2.gz RCBYSOSULONLTH-CHWSQXEVSA-N 2 2 284.404 0.134 20 0 CCADLP COC[C@@H]([NH3+])C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000262253957 536662479 /nfs/dbraw/zinc/66/24/79/536662479.db2.gz IVKHGYDPIGYDEC-LLVKDONJSA-N 2 2 262.313 0.233 20 0 CCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C)CC2 ZINC000518543112 282181484 /nfs/dbraw/zinc/18/14/84/282181484.db2.gz BRBFXGRSNSIUNZ-AAEUAGOBSA-N 2 2 276.384 0.916 20 0 CCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1C)CC2 ZINC000518543112 282181485 /nfs/dbraw/zinc/18/14/85/282181485.db2.gz BRBFXGRSNSIUNZ-AAEUAGOBSA-N 2 2 276.384 0.916 20 0 CCADLP Cc1ccc2nc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)cc(=O)n2c1 ZINC000107855244 349741613 /nfs/dbraw/zinc/74/16/13/349741613.db2.gz LNDGNEJLERCLSU-STQMWFEESA-N 2 2 284.363 0.654 20 0 CCADLP C(C[NH+]1CCOCC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000600636105 362025847 /nfs/dbraw/zinc/02/58/47/362025847.db2.gz XEPAQLUSZAODBG-AWEZNQCLSA-N 2 2 253.390 0.489 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000600728669 362047167 /nfs/dbraw/zinc/04/71/67/362047167.db2.gz AUHRAWLVNAIUFY-WOPDTQHZSA-N 2 2 256.346 0.248 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000600728669 362047170 /nfs/dbraw/zinc/04/71/70/362047170.db2.gz AUHRAWLVNAIUFY-WOPDTQHZSA-N 2 2 256.346 0.248 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)C[C@@H](C)O1 ZINC000600775227 362059680 /nfs/dbraw/zinc/05/96/80/362059680.db2.gz MAVRZFJCVWUXCM-NTZNESFSSA-N 2 2 256.346 0.248 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)C[C@@H](C)O1 ZINC000600775227 362059682 /nfs/dbraw/zinc/05/96/82/362059682.db2.gz MAVRZFJCVWUXCM-NTZNESFSSA-N 2 2 256.346 0.248 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C[NH+]2CC(C)(C)C2)[C@H](C)CO1 ZINC000617723193 365729658 /nfs/dbraw/zinc/72/96/58/365729658.db2.gz JYRHPULUYUATJM-CHWSQXEVSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C[NH+]2CC(C)(C)C2)[C@H](C)CO1 ZINC000617723193 365729663 /nfs/dbraw/zinc/72/96/63/365729663.db2.gz JYRHPULUYUATJM-CHWSQXEVSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+]2C[C@@H](C)OC[C@H]2C)C1 ZINC000617724039 365731619 /nfs/dbraw/zinc/73/16/19/365731619.db2.gz UZDLPXSLERXXPV-MGPQQGTHSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+]2C[C@@H](C)OC[C@H]2C)C1 ZINC000617724039 365731628 /nfs/dbraw/zinc/73/16/28/365731628.db2.gz UZDLPXSLERXXPV-MGPQQGTHSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)C1 ZINC000617724039 365731637 /nfs/dbraw/zinc/73/16/37/365731637.db2.gz UZDLPXSLERXXPV-MGPQQGTHSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)C1 ZINC000617724039 365731644 /nfs/dbraw/zinc/73/16/44/365731644.db2.gz UZDLPXSLERXXPV-MGPQQGTHSA-N 2 2 283.416 0.554 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000600997159 362122549 /nfs/dbraw/zinc/12/25/49/362122549.db2.gz VOARTBKWOVIYHO-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000600997159 362122553 /nfs/dbraw/zinc/12/25/53/362122553.db2.gz VOARTBKWOVIYHO-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000600997159 362122559 /nfs/dbraw/zinc/12/25/59/362122559.db2.gz VOARTBKWOVIYHO-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000600997159 362122565 /nfs/dbraw/zinc/12/25/65/362122565.db2.gz VOARTBKWOVIYHO-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)c1ccco1 ZINC000252465317 282244551 /nfs/dbraw/zinc/24/45/51/282244551.db2.gz PXQYNSZEIFTZOX-YPMHNXCESA-N 2 2 281.356 0.329 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccco1 ZINC000252465317 282244554 /nfs/dbraw/zinc/24/45/54/282244554.db2.gz PXQYNSZEIFTZOX-YPMHNXCESA-N 2 2 281.356 0.329 20 0 CCADLP CCC(CC)[C@H](C(=O)N[C@@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000127163522 282256209 /nfs/dbraw/zinc/25/62/09/282256209.db2.gz IWUVTABDJUFGBL-ZIAGYGMSSA-N 2 2 283.416 0.602 20 0 CCADLP CCOC(=O)C1(C)CC([NH2+]C[C@H]2C[N@H+](C)CCN2C)C1 ZINC000601267900 362196364 /nfs/dbraw/zinc/19/63/64/362196364.db2.gz XDYUTLUQZAKAFC-OWYJLGKBSA-N 2 2 283.416 0.554 20 0 CCADLP CCOC(=O)C1(C)CC([NH2+]C[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000601267900 362196366 /nfs/dbraw/zinc/19/63/66/362196366.db2.gz XDYUTLUQZAKAFC-OWYJLGKBSA-N 2 2 283.416 0.554 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601335005 362230935 /nfs/dbraw/zinc/23/09/35/362230935.db2.gz QCWQOLMGLDVWDU-STQMWFEESA-N 2 2 296.415 0.686 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601335005 362230944 /nfs/dbraw/zinc/23/09/44/362230944.db2.gz QCWQOLMGLDVWDU-STQMWFEESA-N 2 2 296.415 0.686 20 0 CCADLP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H]1CCOC1 ZINC000132130155 136389605 /nfs/dbraw/zinc/38/96/05/136389605.db2.gz OVEJUXDYMPJJJX-CQSZACIVSA-N 2 2 291.399 0.449 20 0 CCADLP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H]1CCOC1 ZINC000132130155 136389606 /nfs/dbraw/zinc/38/96/06/136389606.db2.gz OVEJUXDYMPJJJX-CQSZACIVSA-N 2 2 291.399 0.449 20 0 CCADLP CCn1ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000617763537 365765784 /nfs/dbraw/zinc/76/57/84/365765784.db2.gz UJBATGIKOYLEJT-UHFFFAOYSA-N 2 2 281.404 0.516 20 0 CCADLP CCn1ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000617763537 365765790 /nfs/dbraw/zinc/76/57/90/365765790.db2.gz UJBATGIKOYLEJT-UHFFFAOYSA-N 2 2 281.404 0.516 20 0 CCADLP C[C@@H]1OCC[C@@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764744 365769642 /nfs/dbraw/zinc/76/96/42/365769642.db2.gz DUDGGXDPRYNBML-STQMWFEESA-N 2 2 271.405 0.411 20 0 CCADLP C[C@@H]1OCC[C@@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764744 365769646 /nfs/dbraw/zinc/76/96/46/365769646.db2.gz DUDGGXDPRYNBML-STQMWFEESA-N 2 2 271.405 0.411 20 0 CCADLP Cc1ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)n1C ZINC000617767847 365773763 /nfs/dbraw/zinc/77/37/63/365773763.db2.gz FYKXQAPILXNRGH-UHFFFAOYSA-N 2 2 280.416 0.947 20 0 CCADLP Cc1ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1C ZINC000617767847 365773767 /nfs/dbraw/zinc/77/37/67/365773767.db2.gz FYKXQAPILXNRGH-UHFFFAOYSA-N 2 2 280.416 0.947 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)[NH+](C)C ZINC000617765463 365771257 /nfs/dbraw/zinc/77/12/57/365771257.db2.gz BPYLGLVQTQBUHE-CQSZACIVSA-N 3 2 286.464 0.572 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)[NH+](C)C ZINC000617765463 365771261 /nfs/dbraw/zinc/77/12/61/365771261.db2.gz BPYLGLVQTQBUHE-CQSZACIVSA-N 3 2 286.464 0.572 20 0 CCADLP CC[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)[NH+](C)C ZINC000617765732 365771551 /nfs/dbraw/zinc/77/15/51/365771551.db2.gz OCBCNRKQTXAHCB-ZDUSSCGKSA-N 3 2 272.437 0.326 20 0 CCADLP CC[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)[NH+](C)C ZINC000617765732 365771554 /nfs/dbraw/zinc/77/15/54/365771554.db2.gz OCBCNRKQTXAHCB-ZDUSSCGKSA-N 3 2 272.437 0.326 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1cccnc1 ZINC000617765502 365771615 /nfs/dbraw/zinc/77/16/15/365771615.db2.gz DEOZJWCCTLTNRY-UHFFFAOYSA-N 2 2 278.400 0.624 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1cccnc1 ZINC000617765502 365771617 /nfs/dbraw/zinc/77/16/17/365771617.db2.gz DEOZJWCCTLTNRY-UHFFFAOYSA-N 2 2 278.400 0.624 20 0 CCADLP C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000423862599 529782660 /nfs/dbraw/zinc/78/26/60/529782660.db2.gz GFDQNRRMATXBDF-ZIAGYGMSSA-N 2 2 281.400 0.165 20 0 CCADLP C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000423862599 529782661 /nfs/dbraw/zinc/78/26/61/529782661.db2.gz GFDQNRRMATXBDF-ZIAGYGMSSA-N 2 2 281.400 0.165 20 0 CCADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000423860306 529788488 /nfs/dbraw/zinc/78/84/88/529788488.db2.gz AJMQEDIBTPXSIV-CABCVRRESA-N 2 2 295.427 0.555 20 0 CCADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000423860306 529788489 /nfs/dbraw/zinc/78/84/89/529788489.db2.gz AJMQEDIBTPXSIV-CABCVRRESA-N 2 2 295.427 0.555 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)n1C ZINC000425382460 529808102 /nfs/dbraw/zinc/80/81/02/529808102.db2.gz NZAGFANMFRWZNT-ZDUSSCGKSA-N 2 2 265.361 0.183 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2CC[C@](C)(C(N)=O)C2)n1C ZINC000425382460 529808104 /nfs/dbraw/zinc/80/81/04/529808104.db2.gz NZAGFANMFRWZNT-ZDUSSCGKSA-N 2 2 265.361 0.183 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]Cc2ccnc(N(C)C)n2)n1C ZINC000425339772 529810132 /nfs/dbraw/zinc/81/01/32/529810132.db2.gz CZVSQZNMXIXCSR-UHFFFAOYSA-N 2 2 289.387 0.632 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@]2(C)CCC(=O)N2)n1C ZINC000425340563 529810314 /nfs/dbraw/zinc/81/03/14/529810314.db2.gz AYXKYXXKZHUDKW-CYBMUJFWSA-N 2 2 265.361 0.244 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccn1 ZINC000451375537 529827866 /nfs/dbraw/zinc/82/78/66/529827866.db2.gz KLRMGASQLWMTLN-UHFFFAOYSA-N 2 2 262.357 0.287 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccn1 ZINC000451375537 529827867 /nfs/dbraw/zinc/82/78/67/529827867.db2.gz KLRMGASQLWMTLN-UHFFFAOYSA-N 2 2 262.357 0.287 20 0 CCADLP C[NH+](C)C[C@@H]1CCN(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000127068306 187280349 /nfs/dbraw/zinc/28/03/49/187280349.db2.gz KIYOLFDVUNWYAW-ZDUSSCGKSA-N 2 2 279.388 0.866 20 0 CCADLP C[NH2+]C[C@@H]1CCCN1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000417043878 529989867 /nfs/dbraw/zinc/98/98/67/529989867.db2.gz YDGLSTUOFNQRDI-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)n1C ZINC000602009853 362457129 /nfs/dbraw/zinc/45/71/29/362457129.db2.gz XZQRHSQYUUFWFX-ZDUSSCGKSA-N 2 2 295.383 0.358 20 0 CCADLP C[NH+](C)CC(C)(C)[NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000308639088 232014464 /nfs/dbraw/zinc/01/44/64/232014464.db2.gz YUIKZFDPLWGNSF-LBPRGKRZSA-N 2 2 291.461 0.588 20 0 CCADLP CN(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1c[nH+]cn1C ZINC000655245237 412521439 /nfs/dbraw/zinc/52/14/39/412521439.db2.gz GMBPOLNXHHRNSS-MBNYWOFBSA-N 2 2 293.415 0.479 20 0 CCADLP COC(=O)c1[nH]c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000602495788 362645438 /nfs/dbraw/zinc/64/54/38/362645438.db2.gz WSBNAXZYXSDDQK-PHIMTYICSA-N 2 2 263.341 0.761 20 0 CCADLP COC(=O)c1[nH]c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000602495788 362645440 /nfs/dbraw/zinc/64/54/40/362645440.db2.gz WSBNAXZYXSDDQK-PHIMTYICSA-N 2 2 263.341 0.761 20 0 CCADLP COC(=O)c1cc(C[NH2+]CCC[NH+]2CCOCC2)[nH]c1C ZINC000602504271 362648354 /nfs/dbraw/zinc/64/83/54/362648354.db2.gz OMVLDKVMLRDRGN-UHFFFAOYSA-N 2 2 295.383 0.922 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CN(C)CC[NH+]1C ZINC000357778460 535015498 /nfs/dbraw/zinc/01/54/98/535015498.db2.gz ICRQAMOFKFNXSS-ZIAGYGMSSA-N 2 2 299.463 0.260 20 0 CCADLP CC(C)[NH+](C)C[C@@H](C)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000357778460 535015502 /nfs/dbraw/zinc/01/55/02/535015502.db2.gz ICRQAMOFKFNXSS-ZIAGYGMSSA-N 2 2 299.463 0.260 20 0 CCADLP CC(C)[NH+](C)C[C@@H](C)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000357778460 535015505 /nfs/dbraw/zinc/01/55/05/535015505.db2.gz ICRQAMOFKFNXSS-ZIAGYGMSSA-N 2 2 299.463 0.260 20 0 CCADLP Cc1nocc1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000339196653 215005692 /nfs/dbraw/zinc/00/56/92/215005692.db2.gz ASDQNMVDNRSMQK-UHFFFAOYSA-N 2 2 253.346 0.919 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)[nH]c1C ZINC000602547729 362672192 /nfs/dbraw/zinc/67/21/92/362672192.db2.gz ZWHBPMYQFUJINO-ZDUSSCGKSA-N 2 2 294.399 0.445 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)[nH]c1C ZINC000602547729 362672197 /nfs/dbraw/zinc/67/21/97/362672197.db2.gz ZWHBPMYQFUJINO-ZDUSSCGKSA-N 2 2 294.399 0.445 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC[NH+]1CCC1 ZINC000533090152 290781088 /nfs/dbraw/zinc/78/10/88/290781088.db2.gz FOMKLQHYJTUXNB-LLVKDONJSA-N 2 2 251.334 0.277 20 0 CCADLP C[C@H](CC[S@](C)=O)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000602571740 362686181 /nfs/dbraw/zinc/68/61/81/362686181.db2.gz XJHCUAHXYFWOMU-BLVKFPJESA-N 2 2 290.473 0.968 20 0 CCADLP CCOC(=O)c1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)[nH]1 ZINC000602610184 362711366 /nfs/dbraw/zinc/71/13/66/362711366.db2.gz GKSZLBYJLYQSQJ-CQSZACIVSA-N 2 2 281.356 0.348 20 0 CCADLP CCOC(=O)c1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)[nH]1 ZINC000602610184 362711370 /nfs/dbraw/zinc/71/13/70/362711370.db2.gz GKSZLBYJLYQSQJ-CQSZACIVSA-N 2 2 281.356 0.348 20 0 CCADLP C[C@H]1C[N@H+](CCc2c[nH+]cn2C)CC[S@](=O)C1 ZINC000602824704 362820142 /nfs/dbraw/zinc/82/01/42/362820142.db2.gz ZYUVOQRFOYARNL-GTNSWQLSSA-N 2 2 255.387 0.663 20 0 CCADLP C[C@H]1C[N@@H+](CCc2c[nH+]cn2C)CC[S@](=O)C1 ZINC000602824704 362820145 /nfs/dbraw/zinc/82/01/45/362820145.db2.gz ZYUVOQRFOYARNL-GTNSWQLSSA-N 2 2 255.387 0.663 20 0 CCADLP CCN(C#N)CC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000602848084 362836264 /nfs/dbraw/zinc/83/62/64/362836264.db2.gz DEKCNLFFTMEROR-UHFFFAOYSA-N 2 2 266.389 0.586 20 0 CCADLP CCN(C#N)CC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000602848084 362836268 /nfs/dbraw/zinc/83/62/68/362836268.db2.gz DEKCNLFFTMEROR-UHFFFAOYSA-N 2 2 266.389 0.586 20 0 CCADLP C[C@@H]1C[C@@H](NC[C@H]2C[NH+](C)CCN2C)CC[N@@H+]1C ZINC000251716629 137002203 /nfs/dbraw/zinc/00/22/03/137002203.db2.gz BWFPOMUPHTVYHP-RDBSUJKOSA-N 2 2 254.422 0.305 20 0 CCADLP C[C@@H]1C[C@@H](NC[C@H]2C[NH+](C)CCN2C)CC[N@H+]1C ZINC000251716629 137002204 /nfs/dbraw/zinc/00/22/04/137002204.db2.gz BWFPOMUPHTVYHP-RDBSUJKOSA-N 2 2 254.422 0.305 20 0 CCADLP C[C@@H]1C[C@@H](NC[C@H]2C[N@H+](C)CCN2C)CC[NH+]1C ZINC000251716629 137002205 /nfs/dbraw/zinc/00/22/05/137002205.db2.gz BWFPOMUPHTVYHP-RDBSUJKOSA-N 2 2 254.422 0.305 20 0 CCADLP C[C@@H]1C[C@@H](NC[C@H]2C[N@@H+](C)CCN2C)CC[NH+]1C ZINC000251716629 137002206 /nfs/dbraw/zinc/00/22/06/137002206.db2.gz BWFPOMUPHTVYHP-RDBSUJKOSA-N 2 2 254.422 0.305 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(C)CCN2C)CC[N@@H+]1C ZINC000251716629 137002207 /nfs/dbraw/zinc/00/22/07/137002207.db2.gz BWFPOMUPHTVYHP-RDBSUJKOSA-N 2 2 254.422 0.305 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(C)CCN2C)CC[N@H+]1C ZINC000251716629 137002208 /nfs/dbraw/zinc/00/22/08/137002208.db2.gz BWFPOMUPHTVYHP-RDBSUJKOSA-N 2 2 254.422 0.305 20 0 CCADLP c1nc(N[C@H]2CCC[NH2+]C2)cc(N2CCOCC2)[nH+]1 ZINC000258616971 137005603 /nfs/dbraw/zinc/00/56/03/137005603.db2.gz JBDOPRMGRRKBQC-NSHDSACASA-N 2 2 263.345 0.477 20 0 CCADLP [NH3+]Cc1nc(CN2CC[NH+](CC3CC3)CC2)no1 ZINC000261548438 137007769 /nfs/dbraw/zinc/00/77/69/137007769.db2.gz AUENRDICGUVICW-UHFFFAOYSA-N 2 2 251.334 0.056 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)on1 ZINC000261576487 137009707 /nfs/dbraw/zinc/00/97/07/137009707.db2.gz CEMMTNLFBLQYRN-DCAQKATOSA-N 2 2 264.329 0.591 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)on1 ZINC000261576487 137009708 /nfs/dbraw/zinc/00/97/08/137009708.db2.gz CEMMTNLFBLQYRN-DCAQKATOSA-N 2 2 264.329 0.591 20 0 CCADLP CC[C@@H](C(=O)N(C)CC1C[NH+](C)C1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000618190022 365920484 /nfs/dbraw/zinc/92/04/84/365920484.db2.gz DIEDSEXTAZQLCN-GJZGRUSLSA-N 2 2 297.443 0.896 20 0 CCADLP CC[C@@H](C(=O)N(C)CC1C[NH+](C)C1)[N@H+]1CCO[C@@H](CC)C1 ZINC000618190022 365920494 /nfs/dbraw/zinc/92/04/94/365920494.db2.gz DIEDSEXTAZQLCN-GJZGRUSLSA-N 2 2 297.443 0.896 20 0 CCADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)NCc1cccs1 ZINC000261588793 137010865 /nfs/dbraw/zinc/01/08/65/137010865.db2.gz KKOZMLBGNGPBED-NWDGAFQWSA-N 2 2 279.409 0.906 20 0 CCADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)NCc1cccs1 ZINC000261588793 137010866 /nfs/dbraw/zinc/01/08/66/137010866.db2.gz KKOZMLBGNGPBED-NWDGAFQWSA-N 2 2 279.409 0.906 20 0 CCADLP CC1CCN(C(=O)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000261637224 137013440 /nfs/dbraw/zinc/01/34/40/137013440.db2.gz WRSFJLXNRKCMKJ-KGLIPLIRSA-N 2 2 265.401 0.929 20 0 CCADLP CC1CCN(C(=O)C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000261637224 137013441 /nfs/dbraw/zinc/01/34/41/137013441.db2.gz WRSFJLXNRKCMKJ-KGLIPLIRSA-N 2 2 265.401 0.929 20 0 CCADLP C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCN(CC[NH3+])CC2)C1 ZINC000262954839 137056260 /nfs/dbraw/zinc/05/62/60/137056260.db2.gz KDBADLIFQTVUEN-KGLIPLIRSA-N 2 2 282.432 0.258 20 0 CCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263065384 137057486 /nfs/dbraw/zinc/05/74/86/137057486.db2.gz VWAWCDDESNDURP-MNOVXSKESA-N 2 2 275.343 0.974 20 0 CCADLP C[NH+](C)[C@]1(CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)CCSC1 ZINC000263050754 137057821 /nfs/dbraw/zinc/05/78/21/137057821.db2.gz ULLVVRPFJBBJPS-KOLCDFICSA-N 2 2 293.383 0.537 20 0 CCADLP C[NH+]1CCC(CCNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263129584 137058970 /nfs/dbraw/zinc/05/89/70/137058970.db2.gz BOVWUSPPZGQDBG-NSHDSACASA-N 2 2 275.343 0.832 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)C[C@H](C)O1 ZINC000261747795 137018358 /nfs/dbraw/zinc/01/83/58/137018358.db2.gz MMBXNLGBXYPGPY-VNHYZAJKSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)C[C@H](C)O1 ZINC000261747795 137018359 /nfs/dbraw/zinc/01/83/59/137018359.db2.gz MMBXNLGBXYPGPY-VNHYZAJKSA-N 2 2 281.400 0.308 20 0 CCADLP CC(C)[C@@H](C)NC(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261769710 137019223 /nfs/dbraw/zinc/01/92/23/137019223.db2.gz OPEMMVOJCOASMU-ZIAGYGMSSA-N 2 2 282.432 0.127 20 0 CCADLP CC(C)NC(=O)C[NH+]1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261765911 137019288 /nfs/dbraw/zinc/01/92/88/137019288.db2.gz MBIWSZZMAMRDHW-HNNXBMFYSA-N 2 2 282.432 0.128 20 0 CCADLP CC(C)NC(=O)CN1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261765911 137019289 /nfs/dbraw/zinc/01/92/89/137019289.db2.gz MBIWSZZMAMRDHW-HNNXBMFYSA-N 2 2 282.432 0.128 20 0 CCADLP [NH3+]CC[N@@H+](CCc1ccccc1)CCN1C(=O)CCC1=O ZINC000261781875 137019589 /nfs/dbraw/zinc/01/95/89/137019589.db2.gz PLEIYSXYCQANSC-UHFFFAOYSA-N 2 2 289.379 0.639 20 0 CCADLP [NH3+]CC[N@H+](CCc1ccccc1)CCN1C(=O)CCC1=O ZINC000261781875 137019590 /nfs/dbraw/zinc/01/95/90/137019590.db2.gz PLEIYSXYCQANSC-UHFFFAOYSA-N 2 2 289.379 0.639 20 0 CCADLP C(C1CC1)[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000261825134 137021614 /nfs/dbraw/zinc/02/16/14/137021614.db2.gz UTFHDACUTXLQPV-UHFFFAOYSA-N 2 2 261.373 0.971 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261853702 137022798 /nfs/dbraw/zinc/02/27/98/137022798.db2.gz BKMAJOZFRGDVHC-BARDWOONSA-N 2 2 267.417 0.827 20 0 CCADLP C[N@H+]1CCC[C@@H]1CN[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261853702 137022799 /nfs/dbraw/zinc/02/27/99/137022799.db2.gz BKMAJOZFRGDVHC-BARDWOONSA-N 2 2 267.417 0.827 20 0 CCADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2cn(Cc3cccnc3)nn2)C1 ZINC000261903179 137025164 /nfs/dbraw/zinc/02/51/64/137025164.db2.gz WUFFZQBRHPLFBG-HNNXBMFYSA-N 2 2 286.383 0.892 20 0 CCADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cn(Cc3cccnc3)nn2)C1 ZINC000261903179 137025165 /nfs/dbraw/zinc/02/51/65/137025165.db2.gz WUFFZQBRHPLFBG-HNNXBMFYSA-N 2 2 286.383 0.892 20 0 CCADLP C[C@]1([NH3+])CCCC[C@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000263159865 137059368 /nfs/dbraw/zinc/05/93/68/137059368.db2.gz DTDIFLDWZBNLBK-GWCFXTLKSA-N 2 2 250.346 0.976 20 0 CCADLP COc1c(C)c[nH+]c(C[N@@H+]2CC[C@@](O)(C(N)=O)C2)c1C ZINC000312769059 137077679 /nfs/dbraw/zinc/07/76/79/137077679.db2.gz LNHDMISSGXRSJA-AWEZNQCLSA-N 2 2 279.340 0.129 20 0 CCADLP COc1c(C)c[nH+]c(C[N@H+]2CC[C@@](O)(C(N)=O)C2)c1C ZINC000312769059 137077680 /nfs/dbraw/zinc/07/76/80/137077680.db2.gz LNHDMISSGXRSJA-AWEZNQCLSA-N 2 2 279.340 0.129 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000343067421 137112951 /nfs/dbraw/zinc/11/29/51/137112951.db2.gz UVGXWIGBIHFPAQ-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000343067421 137112952 /nfs/dbraw/zinc/11/29/52/137112952.db2.gz UVGXWIGBIHFPAQ-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000343067421 137112953 /nfs/dbraw/zinc/11/29/53/137112953.db2.gz UVGXWIGBIHFPAQ-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000343067421 137112954 /nfs/dbraw/zinc/11/29/54/137112954.db2.gz UVGXWIGBIHFPAQ-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H]1[C@H](NC(=O)CCn2cc[nH+]c2)CCC[N@@H+]1C ZINC000343498806 137139029 /nfs/dbraw/zinc/13/90/29/137139029.db2.gz HENKDXVNDUAKRV-VXGBXAGGSA-N 2 2 250.346 0.872 20 0 CCADLP C[C@@H]1[C@H](NC(=O)CCn2cc[nH+]c2)CCC[N@H+]1C ZINC000343498806 137139030 /nfs/dbraw/zinc/13/90/30/137139030.db2.gz HENKDXVNDUAKRV-VXGBXAGGSA-N 2 2 250.346 0.872 20 0 CCADLP C[C@H]1[C@@H](NC(=O)NCc2[nH+]ccn2C)CCC[N@@H+]1C ZINC000343763155 137155252 /nfs/dbraw/zinc/15/52/52/137155252.db2.gz TVRJHCLRNUCIET-QWRGUYRKSA-N 2 2 265.361 0.702 20 0 CCADLP C[C@H]1[C@@H](NC(=O)NCc2[nH+]ccn2C)CCC[N@H+]1C ZINC000343763155 137155253 /nfs/dbraw/zinc/15/52/53/137155253.db2.gz TVRJHCLRNUCIET-QWRGUYRKSA-N 2 2 265.361 0.702 20 0 CCADLP C[C@@H]1CN(Cc2[nH]cc[nH+]2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000343985439 137171569 /nfs/dbraw/zinc/17/15/69/137171569.db2.gz PNOXQPOGKAGICJ-KGLIPLIRSA-N 2 2 277.416 0.868 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)CC[N@@H+]1C ZINC000343339528 137129592 /nfs/dbraw/zinc/12/95/92/137129592.db2.gz DSFZUKJJKYJQHY-VNHYZAJKSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)CC[N@H+]1C ZINC000343339528 137129593 /nfs/dbraw/zinc/12/95/93/137129593.db2.gz DSFZUKJJKYJQHY-VNHYZAJKSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC[NH+]1C ZINC000343339528 137129594 /nfs/dbraw/zinc/12/95/94/137129594.db2.gz DSFZUKJJKYJQHY-VNHYZAJKSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC[NH+]1C ZINC000343339528 137129595 /nfs/dbraw/zinc/12/95/95/137129595.db2.gz DSFZUKJJKYJQHY-VNHYZAJKSA-N 2 2 295.427 0.696 20 0 CCADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)C[NH+](C)C ZINC000343365603 137131371 /nfs/dbraw/zinc/13/13/71/137131371.db2.gz NCYMFIHKSUAPLM-UHFFFAOYSA-N 2 2 278.278 0.965 20 0 CCADLP COc1ccc(F)c(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1 ZINC000339349521 215113941 /nfs/dbraw/zinc/11/39/41/215113941.db2.gz QJQMLRKHWFNKMS-CQSZACIVSA-N 2 2 268.332 0.991 20 0 CCADLP COc1ccc(F)c(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000339349521 215113944 /nfs/dbraw/zinc/11/39/44/215113944.db2.gz QJQMLRKHWFNKMS-CQSZACIVSA-N 2 2 268.332 0.991 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cccc(OCC(N)=O)c2)C1 ZINC000344767899 137212483 /nfs/dbraw/zinc/21/24/83/137212483.db2.gz GDFGFVCAVUAWAE-IUODEOHRSA-N 2 2 291.395 0.981 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]Cc2cccc(OCC(N)=O)c2)C1 ZINC000344767899 137212484 /nfs/dbraw/zinc/21/24/84/137212484.db2.gz GDFGFVCAVUAWAE-IUODEOHRSA-N 2 2 291.395 0.981 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000344631187 137205036 /nfs/dbraw/zinc/20/50/36/137205036.db2.gz OVJGPXWLNBKLLT-VNHYZAJKSA-N 2 2 277.416 0.929 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000344631187 137205037 /nfs/dbraw/zinc/20/50/37/137205037.db2.gz OVJGPXWLNBKLLT-VNHYZAJKSA-N 2 2 277.416 0.929 20 0 CCADLP CC[C@H](C)[C@@H](NC(=O)C[N@H+](C)C1CC[NH2+]CC1)C(=O)OC ZINC000036300993 348165704 /nfs/dbraw/zinc/16/57/04/348165704.db2.gz RLKDMHUWXCIONF-SMDDNHRTSA-N 2 2 299.415 0.374 20 0 CCADLP CC[C@H](C)[C@@H](NC(=O)C[N@@H+](C)C1CC[NH2+]CC1)C(=O)OC ZINC000036300993 348165708 /nfs/dbraw/zinc/16/57/08/348165708.db2.gz RLKDMHUWXCIONF-SMDDNHRTSA-N 2 2 299.415 0.374 20 0 CCADLP CC[C@@H](C)[C@@H](NC(=O)C[N@H+](C)C1CC[NH2+]CC1)C(=O)OC ZINC000036300991 348165966 /nfs/dbraw/zinc/16/59/66/348165966.db2.gz RLKDMHUWXCIONF-BXUZGUMPSA-N 2 2 299.415 0.374 20 0 CCADLP CC[C@@H](C)[C@@H](NC(=O)C[N@@H+](C)C1CC[NH2+]CC1)C(=O)OC ZINC000036300991 348165967 /nfs/dbraw/zinc/16/59/67/348165967.db2.gz RLKDMHUWXCIONF-BXUZGUMPSA-N 2 2 299.415 0.374 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+](C)C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000036300660 348166083 /nfs/dbraw/zinc/16/60/83/348166083.db2.gz GYAXIXFSHBTBJY-TXEJJXNPSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000036300660 348166085 /nfs/dbraw/zinc/16/60/85/348166085.db2.gz GYAXIXFSHBTBJY-TXEJJXNPSA-N 2 2 269.389 0.306 20 0 CCADLP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)[C@H]1CCC[NH2+]1 ZINC000040429553 348233874 /nfs/dbraw/zinc/23/38/74/348233874.db2.gz RSOIUOSKMCNARN-CYBMUJFWSA-N 2 2 290.367 0.286 20 0 CCADLP NC(=O)[C@@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCO1 ZINC000346158432 137270569 /nfs/dbraw/zinc/27/05/69/137270569.db2.gz BSTNMZNSZKZBJH-LBPRGKRZSA-N 2 2 292.364 0.620 20 0 CCADLP NC(=O)[C@@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCO1 ZINC000346158432 137270570 /nfs/dbraw/zinc/27/05/70/137270570.db2.gz BSTNMZNSZKZBJH-LBPRGKRZSA-N 2 2 292.364 0.620 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000349529793 137395453 /nfs/dbraw/zinc/39/54/53/137395453.db2.gz ZMOLJZRMLXOFCM-LBPRGKRZSA-N 2 2 286.420 0.347 20 0 CCADLP [NH3+]CC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000347668687 137349120 /nfs/dbraw/zinc/34/91/20/137349120.db2.gz RQNTVADWNMINNM-UHFFFAOYSA-N 2 2 290.367 0.164 20 0 CCADLP Cc1ccc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)s1 ZINC000049948526 348461887 /nfs/dbraw/zinc/46/18/87/348461887.db2.gz IVLBEABRNSUKMP-UHFFFAOYSA-N 2 2 267.398 0.920 20 0 CCADLP CC1CC[NH+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1 ZINC000061758102 348659221 /nfs/dbraw/zinc/65/92/21/348659221.db2.gz DJOQIMWJMDFMBJ-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]C2CCN(C(=O)C3CC3)CC2)C1 ZINC000061988658 348662104 /nfs/dbraw/zinc/66/21/04/348662104.db2.gz DQJRPPPDNGOTFM-ZDUSSCGKSA-N 2 2 251.374 0.681 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]C2CCN(C(=O)C3CC3)CC2)C1 ZINC000061988658 348662105 /nfs/dbraw/zinc/66/21/05/348662105.db2.gz DQJRPPPDNGOTFM-ZDUSSCGKSA-N 2 2 251.374 0.681 20 0 CCADLP CC(C)C[N@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000068334540 348807828 /nfs/dbraw/zinc/80/78/28/348807828.db2.gz AISNJSLLASYIKC-UHFFFAOYSA-N 2 2 285.432 0.801 20 0 CCADLP CC(C)C[N@@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000068334540 348807832 /nfs/dbraw/zinc/80/78/32/348807832.db2.gz AISNJSLLASYIKC-UHFFFAOYSA-N 2 2 285.432 0.801 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000069136815 348832311 /nfs/dbraw/zinc/83/23/11/348832311.db2.gz NWAWIRUPQIHWNY-MNOVXSKESA-N 2 2 257.359 0.438 20 0 CCADLP CC(C)(CO)[NH+]1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000684470591 545678333 /nfs/dbraw/zinc/67/83/33/545678333.db2.gz MFSYGVUNHZLEOL-UHFFFAOYSA-N 2 2 280.372 0.257 20 0 CCADLP CC(C)(CO)[NH+]1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000684470591 545678341 /nfs/dbraw/zinc/67/83/41/545678341.db2.gz MFSYGVUNHZLEOL-UHFFFAOYSA-N 2 2 280.372 0.257 20 0 CCADLP CC(=O)[C@@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+])C(C)C ZINC000070150149 348873678 /nfs/dbraw/zinc/87/36/78/348873678.db2.gz ZRLDPAZADQEJEO-HIFRSBDPSA-N 2 2 283.416 0.920 20 0 CCADLP CC(=O)[C@@H](NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+])C(C)C ZINC000070150149 348873681 /nfs/dbraw/zinc/87/36/81/348873681.db2.gz ZRLDPAZADQEJEO-HIFRSBDPSA-N 2 2 283.416 0.920 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000070174511 348876624 /nfs/dbraw/zinc/87/66/24/348876624.db2.gz DVVPLQWETUPBAH-WDEREUQCSA-N 2 2 284.404 0.670 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C1 ZINC000070174511 348876627 /nfs/dbraw/zinc/87/66/27/348876627.db2.gz DVVPLQWETUPBAH-WDEREUQCSA-N 2 2 284.404 0.670 20 0 CCADLP CC(C)(CNC(=O)[C@H]1CC12CC[NH2+]CC2)[NH+]1CCOCC1 ZINC000070255146 348882367 /nfs/dbraw/zinc/88/23/67/348882367.db2.gz SMGZKDNKEAVHIG-CYBMUJFWSA-N 2 2 295.427 0.603 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000072823817 348934010 /nfs/dbraw/zinc/93/40/10/348934010.db2.gz DRBNFBGDXJHXQK-QWHCGFSZSA-N 2 2 298.431 0.884 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000072823817 348934015 /nfs/dbraw/zinc/93/40/15/348934015.db2.gz DRBNFBGDXJHXQK-QWHCGFSZSA-N 2 2 298.431 0.884 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000072857843 348935345 /nfs/dbraw/zinc/93/53/45/348935345.db2.gz BDWWZMATAOVLKN-CYBMUJFWSA-N 2 2 298.431 0.886 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000072857843 348935347 /nfs/dbraw/zinc/93/53/47/348935347.db2.gz BDWWZMATAOVLKN-CYBMUJFWSA-N 2 2 298.431 0.886 20 0 CCADLP CCCCNC(=O)NC(=O)C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000072857843 348935349 /nfs/dbraw/zinc/93/53/49/348935349.db2.gz BDWWZMATAOVLKN-CYBMUJFWSA-N 2 2 298.431 0.886 20 0 CCADLP CCCCNC(=O)NC(=O)C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000072857843 348935351 /nfs/dbraw/zinc/93/53/51/348935351.db2.gz BDWWZMATAOVLKN-CYBMUJFWSA-N 2 2 298.431 0.886 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000071147337 348904926 /nfs/dbraw/zinc/90/49/26/348904926.db2.gz RIAUWZWJLGAGDJ-LLVKDONJSA-N 2 2 282.388 0.296 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000071147337 348904928 /nfs/dbraw/zinc/90/49/28/348904928.db2.gz RIAUWZWJLGAGDJ-LLVKDONJSA-N 2 2 282.388 0.296 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@@H]1C ZINC000339563979 215245458 /nfs/dbraw/zinc/24/54/58/215245458.db2.gz OCSTWRFFHDSROE-CHWSQXEVSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@@H]1C ZINC000339563979 215245461 /nfs/dbraw/zinc/24/54/61/215245461.db2.gz OCSTWRFFHDSROE-CHWSQXEVSA-N 2 2 283.416 0.554 20 0 CCADLP Cc1nc(N2CC[C@H](C[NH+]3CCOCC3)C2)cc[nH+]1 ZINC000078404719 349138114 /nfs/dbraw/zinc/13/81/14/349138114.db2.gz PFLMUCDBXGBWHI-CYBMUJFWSA-N 2 2 262.357 0.944 20 0 CCADLP C[C@@]1(C(=O)NCCCCn2cc[nH+]c2)CCC[NH2+]1 ZINC000079520725 349182298 /nfs/dbraw/zinc/18/22/98/349182298.db2.gz JIRMRELBVPIESV-ZDUSSCGKSA-N 2 2 250.346 0.922 20 0 CCADLP O=C(C[NH+]1CCCC1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000078802087 349154024 /nfs/dbraw/zinc/15/40/24/349154024.db2.gz FABICPGXUZESID-UHFFFAOYSA-N 2 2 288.395 0.822 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000339617480 215271196 /nfs/dbraw/zinc/27/11/96/215271196.db2.gz PFLBYEPUTOAOKY-MJBXVCDLSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000339617480 215271199 /nfs/dbraw/zinc/27/11/99/215271199.db2.gz PFLBYEPUTOAOKY-MJBXVCDLSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)CC[NH3+])CC1 ZINC000082256243 349292711 /nfs/dbraw/zinc/29/27/11/349292711.db2.gz ZBDUUFXUWOKAND-LBPRGKRZSA-N 2 2 262.357 0.636 20 0 CCADLP CCS(=O)(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000081571682 349275658 /nfs/dbraw/zinc/27/56/58/349275658.db2.gz FKFXVFLPEASELX-UHFFFAOYSA-N 2 2 277.434 0.294 20 0 CCADLP CCS(=O)(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000081571682 349275662 /nfs/dbraw/zinc/27/56/62/349275662.db2.gz FKFXVFLPEASELX-UHFFFAOYSA-N 2 2 277.434 0.294 20 0 CCADLP CCOC(=O)[C@H](CC)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000084105430 349314851 /nfs/dbraw/zinc/31/48/51/349314851.db2.gz PNDAWWQKSLRXJY-LBPRGKRZSA-N 2 2 257.378 0.165 20 0 CCADLP CCOC(=O)[C@H](CC)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000084105430 349314854 /nfs/dbraw/zinc/31/48/54/349314854.db2.gz PNDAWWQKSLRXJY-LBPRGKRZSA-N 2 2 257.378 0.165 20 0 CCADLP C(C[NH+]1CCOCC1)N1CC[NH2+]CC12CCCCC2 ZINC000088396348 349366908 /nfs/dbraw/zinc/36/69/08/349366908.db2.gz UJLZHVIXHACTOF-UHFFFAOYSA-N 2 2 267.417 0.927 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+](CC3(CO)COC3)CC2)c1 ZINC000089124798 349376064 /nfs/dbraw/zinc/37/60/64/349376064.db2.gz VLDAHWMPHQWRRM-UHFFFAOYSA-N 2 2 293.367 0.221 20 0 CCADLP CCn1c[nH+]cc1C[NH2+][C@H]1CCC(=O)N(C)C1=O ZINC000090174068 349428791 /nfs/dbraw/zinc/42/87/91/349428791.db2.gz CEXNYRKIWZYEIZ-JTQLQIEISA-N 2 2 250.302 0.140 20 0 CCADLP Cc1cc(N2CC[C@H](OCC[NH+](C)C)C2)nc[nH+]1 ZINC000339681072 215297184 /nfs/dbraw/zinc/29/71/84/215297184.db2.gz DREBRAUDNDEJOT-LBPRGKRZSA-N 2 2 250.346 0.942 20 0 CCADLP C[N@@H+]1CCN(Cc2ccc3c(c2)CCO3)[C@H](C[NH3+])C1 ZINC000122529945 350065388 /nfs/dbraw/zinc/06/53/88/350065388.db2.gz KVZCURIUYXCIOH-CQSZACIVSA-N 2 2 261.369 0.696 20 0 CCADLP C[N@H+]1CCN(Cc2ccc3c(c2)CCO3)[C@H](C[NH3+])C1 ZINC000122529945 350065392 /nfs/dbraw/zinc/06/53/92/350065392.db2.gz KVZCURIUYXCIOH-CQSZACIVSA-N 2 2 261.369 0.696 20 0 CCADLP C[N@@H+]1CCN(C(=O)Nc2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000122662312 350067981 /nfs/dbraw/zinc/06/79/81/350067981.db2.gz UPZQVYOMPFLBIW-LBPRGKRZSA-N 2 2 266.320 0.932 20 0 CCADLP C[N@H+]1CCN(C(=O)Nc2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000122662312 350067983 /nfs/dbraw/zinc/06/79/83/350067983.db2.gz UPZQVYOMPFLBIW-LBPRGKRZSA-N 2 2 266.320 0.932 20 0 CCADLP CCOCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000124417518 350098936 /nfs/dbraw/zinc/09/89/36/350098936.db2.gz PEMIDBLAFRGDQI-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@@H](C[NH2+]CC1=CCCOC1)C[NH+]1CCOCC1 ZINC000127447602 350169673 /nfs/dbraw/zinc/16/96/73/350169673.db2.gz IXOQEURAFVQJBL-ZDUSSCGKSA-N 2 2 254.374 0.891 20 0 CCADLP C[C@H]1C[C@@H](NCCC[NH+]2CCOCC2)C[N@@H+]1C1CC1 ZINC000128114300 350185749 /nfs/dbraw/zinc/18/57/49/350185749.db2.gz KEQPTDIUSZPUQS-UONOGXRCSA-N 2 2 267.417 0.924 20 0 CCADLP C[C@H]1C[C@@H](NCCC[NH+]2CCOCC2)C[N@H+]1C1CC1 ZINC000128114300 350185750 /nfs/dbraw/zinc/18/57/50/350185750.db2.gz KEQPTDIUSZPUQS-UONOGXRCSA-N 2 2 267.417 0.924 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2ccoc2)CC1 ZINC000128243427 350188694 /nfs/dbraw/zinc/18/86/94/350188694.db2.gz ZCUPRMPIDOOKCQ-UHFFFAOYSA-N 2 2 279.384 0.964 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000134926252 350380073 /nfs/dbraw/zinc/38/00/73/350380073.db2.gz ZATBSNFGJYPALZ-QWRGUYRKSA-N 2 2 277.372 0.988 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000134926252 350380075 /nfs/dbraw/zinc/38/00/75/350380075.db2.gz ZATBSNFGJYPALZ-QWRGUYRKSA-N 2 2 277.372 0.988 20 0 CCADLP COc1c(N)nc[nH+]c1N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000134926252 350380077 /nfs/dbraw/zinc/38/00/77/350380077.db2.gz ZATBSNFGJYPALZ-QWRGUYRKSA-N 2 2 277.372 0.988 20 0 CCADLP COc1c(N)nc[nH+]c1N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000134926252 350380079 /nfs/dbraw/zinc/38/00/79/350380079.db2.gz ZATBSNFGJYPALZ-QWRGUYRKSA-N 2 2 277.372 0.988 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000092134152 180331632 /nfs/dbraw/zinc/33/16/32/180331632.db2.gz RHKKWNILDSSAJU-CYBMUJFWSA-N 2 2 276.384 0.581 20 0 CCADLP CCn1cc[nH+]c1CN1CCO[C@H](C[NH+](C)C)C1 ZINC000106387110 186113712 /nfs/dbraw/zinc/11/37/12/186113712.db2.gz DGXLLCNLXRHQEZ-GFCCVEGCSA-N 2 2 252.362 0.665 20 0 CCADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000105896307 186086504 /nfs/dbraw/zinc/08/65/04/186086504.db2.gz QONFRISIHPZHJR-WDEREUQCSA-N 2 2 293.371 0.666 20 0 CCADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000105896307 186086505 /nfs/dbraw/zinc/08/65/05/186086505.db2.gz QONFRISIHPZHJR-WDEREUQCSA-N 2 2 293.371 0.666 20 0 CCADLP CCC[NH+]1CCC(NC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000107328002 186169482 /nfs/dbraw/zinc/16/94/82/186169482.db2.gz PVKJKFMJBWJHDU-UHFFFAOYSA-N 2 2 298.431 0.492 20 0 CCADLP COC(=O)C[C@H](C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000151267779 350496879 /nfs/dbraw/zinc/49/68/79/350496879.db2.gz WABMISQLGHVELZ-LBPRGKRZSA-N 2 2 299.415 0.328 20 0 CCADLP CN(C(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000107576085 186180250 /nfs/dbraw/zinc/18/02/50/186180250.db2.gz XNDGZYRWUHMSSV-BETUJISGSA-N 2 2 265.401 0.929 20 0 CCADLP CN(C(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000107576085 186180252 /nfs/dbraw/zinc/18/02/52/186180252.db2.gz XNDGZYRWUHMSSV-BETUJISGSA-N 2 2 265.401 0.929 20 0 CCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCn1cc[nH+]c1 ZINC000152694334 350538564 /nfs/dbraw/zinc/53/85/64/350538564.db2.gz KRKYDEUZASRNNP-UHFFFAOYSA-N 3 2 296.419 0.018 20 0 CCADLP CCNC(=O)C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000154026846 350572342 /nfs/dbraw/zinc/57/23/42/350572342.db2.gz DXZANVYBJMEUNJ-GJZGRUSLSA-N 2 2 296.459 0.613 20 0 CCADLP CS(=O)(=O)NCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157324199 350643248 /nfs/dbraw/zinc/64/32/48/350643248.db2.gz KVSXNKHCCISYAH-ZDUSSCGKSA-N 2 2 289.445 0.486 20 0 CCADLP CS(=O)(=O)NCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157324199 350643251 /nfs/dbraw/zinc/64/32/51/350643251.db2.gz KVSXNKHCCISYAH-ZDUSSCGKSA-N 2 2 289.445 0.486 20 0 CCADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@H](CO)C1 ZINC000157425925 350644627 /nfs/dbraw/zinc/64/46/27/350644627.db2.gz UHXGNWBFSZASKJ-HOTGVXAUSA-N 2 2 278.396 0.794 20 0 CCADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@H](CO)C1 ZINC000157425925 350644631 /nfs/dbraw/zinc/64/46/31/350644631.db2.gz UHXGNWBFSZASKJ-HOTGVXAUSA-N 2 2 278.396 0.794 20 0 CCADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@H](CO)C1 ZINC000157425925 350644634 /nfs/dbraw/zinc/64/46/34/350644634.db2.gz UHXGNWBFSZASKJ-HOTGVXAUSA-N 2 2 278.396 0.794 20 0 CCADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@H](CO)C1 ZINC000157425925 350644637 /nfs/dbraw/zinc/64/46/37/350644637.db2.gz UHXGNWBFSZASKJ-HOTGVXAUSA-N 2 2 278.396 0.794 20 0 CCADLP COC(=O)Cn1cc(CC[NH+]2CCC([NH+](C)C)CC2)nn1 ZINC000156097029 350626171 /nfs/dbraw/zinc/62/61/71/350626171.db2.gz CANXXSRUDRKUBF-UHFFFAOYSA-N 2 2 295.387 0.020 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCC(F)(F)F)C1 ZINC000163255109 350762901 /nfs/dbraw/zinc/76/29/01/350762901.db2.gz GPZJZZVPTRUPNG-YUMQZZPRSA-N 2 2 253.268 0.334 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCC(F)(F)F)C1 ZINC000163255109 350762902 /nfs/dbraw/zinc/76/29/02/350762902.db2.gz GPZJZZVPTRUPNG-YUMQZZPRSA-N 2 2 253.268 0.334 20 0 CCADLP CCc1ccccc1C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000162060458 350735893 /nfs/dbraw/zinc/73/58/93/350735893.db2.gz KZQBEDUUGLPGAK-ZDUSSCGKSA-N 2 2 261.369 0.964 20 0 CCADLP CCc1ccccc1C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000162060458 350735896 /nfs/dbraw/zinc/73/58/96/350735896.db2.gz KZQBEDUUGLPGAK-ZDUSSCGKSA-N 2 2 261.369 0.964 20 0 CCADLP C[C@H]([NH3+])C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000167968695 350817459 /nfs/dbraw/zinc/81/74/59/350817459.db2.gz LRCAWCBGSHSCLJ-JSGCOSHPSA-N 2 2 277.368 0.211 20 0 CCADLP CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)C[NH3+] ZINC000168177074 350821608 /nfs/dbraw/zinc/82/16/08/350821608.db2.gz KWYONBCKZPALRN-NSHDSACASA-N 2 2 283.397 0.539 20 0 CCADLP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C(=O)N1CCOCC1 ZINC000165029577 350786461 /nfs/dbraw/zinc/78/64/61/350786461.db2.gz NDUCWNYEZPNGMS-RDBSUJKOSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)N1CCOCC1 ZINC000165029577 350786465 /nfs/dbraw/zinc/78/64/65/350786465.db2.gz NDUCWNYEZPNGMS-RDBSUJKOSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@H]([NH3+])C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000165260076 350788351 /nfs/dbraw/zinc/78/83/51/350788351.db2.gz JODPOQZBRJKQNC-NSHDSACASA-N 2 2 250.346 0.615 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CSC[NH2+]1)Cn1cc[nH+]c1 ZINC000165589857 350791800 /nfs/dbraw/zinc/79/18/00/350791800.db2.gz IRFPDTQMWLOIEE-ZJUUUORDSA-N 2 2 254.359 0.298 20 0 CCADLP C[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000167149918 350805795 /nfs/dbraw/zinc/80/57/95/350805795.db2.gz SVBYOJBPFSSUGH-NSHDSACASA-N 2 2 263.341 0.384 20 0 CCADLP CC[NH+](CC)CC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000111221901 186372032 /nfs/dbraw/zinc/37/20/32/186372032.db2.gz SHHDFMGLDXSKTB-UHFFFAOYSA-N 2 2 279.388 0.396 20 0 CCADLP CCC(CC)[C@H](CNC(=O)C[NH+](C)C)[NH+]1CCOCC1 ZINC000171372485 350905131 /nfs/dbraw/zinc/90/51/31/350905131.db2.gz FWYFPTFWIUXNJB-AWEZNQCLSA-N 2 2 285.432 0.801 20 0 CCADLP C[C@H](CNc1[nH+]cnc2c1cnn2C)C[NH+]1CCOCC1 ZINC000172375116 350980028 /nfs/dbraw/zinc/98/00/28/350980028.db2.gz GNRZKUFXUPSYHE-LLVKDONJSA-N 2 2 290.371 0.744 20 0 CCADLP COC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000171973657 350948570 /nfs/dbraw/zinc/94/85/70/350948570.db2.gz DJCPCGBIDCZHQW-KGLIPLIRSA-N 2 2 272.389 0.038 20 0 CCADLP COC[C@@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000171973657 350948574 /nfs/dbraw/zinc/94/85/74/350948574.db2.gz DJCPCGBIDCZHQW-KGLIPLIRSA-N 2 2 272.389 0.038 20 0 CCADLP C[NH+](C)[C@H](C(=O)N1CC[NH+](CCO)CC1)c1ccccc1 ZINC000176388631 351172523 /nfs/dbraw/zinc/17/25/23/351172523.db2.gz SFNDNZJWVTWOQA-HNNXBMFYSA-N 2 2 291.395 0.426 20 0 CCADLP CC[NH+](CC)CCCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000339780328 215339021 /nfs/dbraw/zinc/33/90/21/215339021.db2.gz VOCZOERIYRIPGD-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000178763908 351244980 /nfs/dbraw/zinc/24/49/80/351244980.db2.gz BYROPQDMPGFXOZ-GFCCVEGCSA-N 2 2 269.389 0.356 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000178763908 351244983 /nfs/dbraw/zinc/24/49/83/351244983.db2.gz BYROPQDMPGFXOZ-GFCCVEGCSA-N 2 2 269.389 0.356 20 0 CCADLP COc1ccnc(N2CC[NH+](CCn3cc[nH+]c3)CC2)n1 ZINC000179315502 351263997 /nfs/dbraw/zinc/26/39/97/351263997.db2.gz ZMLRVSCYYQZKFX-UHFFFAOYSA-N 2 2 288.355 0.504 20 0 CCADLP CCC(CC)C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000178930025 351254287 /nfs/dbraw/zinc/25/42/87/351254287.db2.gz CBJGSAPJBMLBRH-OAHLLOKOSA-N 2 2 297.443 0.945 20 0 CCADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NCCCOC)C1 ZINC000177838060 351214328 /nfs/dbraw/zinc/21/43/28/351214328.db2.gz KXMWMUWSEJRSHN-ZDUSSCGKSA-N 2 2 271.405 0.413 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NCCCOC)C1 ZINC000177838060 351214329 /nfs/dbraw/zinc/21/43/29/351214329.db2.gz KXMWMUWSEJRSHN-ZDUSSCGKSA-N 2 2 271.405 0.413 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCCCOC)C1 ZINC000177838060 351214330 /nfs/dbraw/zinc/21/43/30/351214330.db2.gz KXMWMUWSEJRSHN-ZDUSSCGKSA-N 2 2 271.405 0.413 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCCCOC)C1 ZINC000177838060 351214331 /nfs/dbraw/zinc/21/43/31/351214331.db2.gz KXMWMUWSEJRSHN-ZDUSSCGKSA-N 2 2 271.405 0.413 20 0 CCADLP CC(C)[N@@H+](CC(=O)N1CC[NH+](C)CC1)C1CCOCC1 ZINC000180592804 351289727 /nfs/dbraw/zinc/28/97/27/351289727.db2.gz NCOGYUZCPLNVHA-UHFFFAOYSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1(C)CC1 ZINC000181028393 351298933 /nfs/dbraw/zinc/29/89/33/351298933.db2.gz NXZSZUFXJNVDDP-UONOGXRCSA-N 2 2 295.427 0.698 20 0 CCADLP O=C1C[C@@H]([NH2+][C@@H]2CCSC2)CN1CC[NH+]1CCOCC1 ZINC000181034899 351300334 /nfs/dbraw/zinc/30/03/34/351300334.db2.gz VVIQSVVQYRPUDH-CHWSQXEVSA-N 2 2 299.440 0.015 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCOC3(CCC3)C2)CC1 ZINC000179580344 351272339 /nfs/dbraw/zinc/27/23/39/351272339.db2.gz ATKNGWQNCLCESE-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCOC3(CCC3)C2)CC1 ZINC000179580344 351272341 /nfs/dbraw/zinc/27/23/41/351272341.db2.gz ATKNGWQNCLCESE-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP CCC[C@@H](C)C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000180049817 351279344 /nfs/dbraw/zinc/27/93/44/351279344.db2.gz XBOKPLITGMIURY-CABCVRRESA-N 2 2 297.443 0.945 20 0 CCADLP CCC[C@@H](C)C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000180049641 351279591 /nfs/dbraw/zinc/27/95/91/351279591.db2.gz XBOKPLITGMIURY-HUUCEWRRSA-N 2 2 297.443 0.945 20 0 CCADLP CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000182218092 351352814 /nfs/dbraw/zinc/35/28/14/351352814.db2.gz ZQWMIPDIHAPVMK-VXGBXAGGSA-N 2 2 271.386 0.829 20 0 CCADLP CCN(C)C(=O)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000185181079 351436887 /nfs/dbraw/zinc/43/68/87/351436887.db2.gz YRUMCVJXESGYTH-UHFFFAOYSA-N 2 2 250.346 0.716 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2c[nH+]ccc2N)C[C@@H]1C ZINC000188187148 351578939 /nfs/dbraw/zinc/57/89/39/351578939.db2.gz VZVFPBMLLPSZOB-WDEREUQCSA-N 2 2 278.356 0.191 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)c2c[nH+]ccc2N)C[C@@H]1C ZINC000188187148 351578942 /nfs/dbraw/zinc/57/89/42/351578942.db2.gz VZVFPBMLLPSZOB-WDEREUQCSA-N 2 2 278.356 0.191 20 0 CCADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000187901043 351561218 /nfs/dbraw/zinc/56/12/18/351561218.db2.gz HLNMARAKHRHJIP-QWHCGFSZSA-N 2 2 288.351 0.370 20 0 CCADLP C[C@@H]1CN(Cc2c[nH]c[nH+]2)CC[N@@H+]1CC(C)(C)O ZINC000188889152 351637381 /nfs/dbraw/zinc/63/73/81/351637381.db2.gz NZQXPVPBPGVHQW-LLVKDONJSA-N 2 2 252.362 0.687 20 0 CCADLP C[C@@H]1CN(Cc2c[nH]c[nH+]2)CC[N@H+]1CC(C)(C)O ZINC000188889152 351637383 /nfs/dbraw/zinc/63/73/83/351637383.db2.gz NZQXPVPBPGVHQW-LLVKDONJSA-N 2 2 252.362 0.687 20 0 CCADLP C[C@@H]1CN(Cc2c[nH+]c[nH]2)CC[N@@H+]1CC(C)(C)O ZINC000188889152 351637385 /nfs/dbraw/zinc/63/73/85/351637385.db2.gz NZQXPVPBPGVHQW-LLVKDONJSA-N 2 2 252.362 0.687 20 0 CCADLP C[C@@H]1CN(Cc2c[nH+]c[nH]2)CC[N@H+]1CC(C)(C)O ZINC000188889152 351637389 /nfs/dbraw/zinc/63/73/89/351637389.db2.gz NZQXPVPBPGVHQW-LLVKDONJSA-N 2 2 252.362 0.687 20 0 CCADLP C[C@H]1CN(Cc2c[nH]c[nH+]2)CC[N@@H+]1CC(C)(C)O ZINC000188889180 351637506 /nfs/dbraw/zinc/63/75/06/351637506.db2.gz NZQXPVPBPGVHQW-NSHDSACASA-N 2 2 252.362 0.687 20 0 CCADLP C[C@H]1CN(Cc2c[nH]c[nH+]2)CC[N@H+]1CC(C)(C)O ZINC000188889180 351637508 /nfs/dbraw/zinc/63/75/08/351637508.db2.gz NZQXPVPBPGVHQW-NSHDSACASA-N 2 2 252.362 0.687 20 0 CCADLP C[C@H]1CN(Cc2c[nH+]c[nH]2)CC[N@@H+]1CC(C)(C)O ZINC000188889180 351637510 /nfs/dbraw/zinc/63/75/10/351637510.db2.gz NZQXPVPBPGVHQW-NSHDSACASA-N 2 2 252.362 0.687 20 0 CCADLP C[C@H]1CN(Cc2c[nH+]c[nH]2)CC[N@H+]1CC(C)(C)O ZINC000188889180 351637514 /nfs/dbraw/zinc/63/75/14/351637514.db2.gz NZQXPVPBPGVHQW-NSHDSACASA-N 2 2 252.362 0.687 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(CCCn2cc[nH+]c2)[C@H](C)C1 ZINC000191232694 351751682 /nfs/dbraw/zinc/75/16/82/351751682.db2.gz FDGATGDBIUXUFP-ZIAGYGMSSA-N 2 2 266.389 0.660 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(CCCn2cc[nH+]c2)[C@H](C)C1 ZINC000191232694 351751688 /nfs/dbraw/zinc/75/16/88/351751688.db2.gz FDGATGDBIUXUFP-ZIAGYGMSSA-N 2 2 266.389 0.660 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124231694 187127237 /nfs/dbraw/zinc/12/72/37/187127237.db2.gz ZZDUOKFRHXUEIP-LLVKDONJSA-N 2 2 293.371 0.582 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124231694 187127238 /nfs/dbraw/zinc/12/72/38/187127238.db2.gz ZZDUOKFRHXUEIP-LLVKDONJSA-N 2 2 293.371 0.582 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000195008293 351893599 /nfs/dbraw/zinc/89/35/99/351893599.db2.gz DJOSXUCAWYEJHX-UHFFFAOYSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000195008293 351893601 /nfs/dbraw/zinc/89/36/01/351893601.db2.gz DJOSXUCAWYEJHX-UHFFFAOYSA-N 2 2 271.405 0.555 20 0 CCADLP COc1cc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])cc(OC)c1 ZINC000226610306 352030061 /nfs/dbraw/zinc/03/00/61/352030061.db2.gz NMXQUDRVHKZGAA-ZDUSSCGKSA-N 2 2 279.384 0.779 20 0 CCADLP COc1cc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cc(OC)c1 ZINC000226610306 352030066 /nfs/dbraw/zinc/03/00/66/352030066.db2.gz NMXQUDRVHKZGAA-ZDUSSCGKSA-N 2 2 279.384 0.779 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNc2nc(N3CCCC3)cc[nH+]2)C1 ZINC000603385117 363103725 /nfs/dbraw/zinc/10/37/25/363103725.db2.gz AHTSFJINUOWKRQ-LBPRGKRZSA-N 2 2 277.372 0.819 20 0 CCADLP C[N@H+]1CCO[C@@H](CNc2nc(N3CCCC3)cc[nH+]2)C1 ZINC000603385117 363103727 /nfs/dbraw/zinc/10/37/27/363103727.db2.gz AHTSFJINUOWKRQ-LBPRGKRZSA-N 2 2 277.372 0.819 20 0 CCADLP Cc1ccc(O)c(C[NH2+]C[C@@](C)(O)C[NH+](C)C)n1 ZINC000228726005 352082660 /nfs/dbraw/zinc/08/26/60/352082660.db2.gz VIYHLYUNHQPZPG-CYBMUJFWSA-N 2 2 253.346 0.498 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000235695436 352186607 /nfs/dbraw/zinc/18/66/07/352186607.db2.gz KCWQURKFAJZPIP-SRVKXCTJSA-N 2 2 250.346 0.776 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000232115510 352140271 /nfs/dbraw/zinc/14/02/71/352140271.db2.gz MDXONQCDPMQESP-LBPRGKRZSA-N 2 2 297.424 0.756 20 0 CCADLP O=C(NCC[C@H]1CC[NH2+]C1)[C@H]1CCc2[nH+]ccn2C1 ZINC000655414852 412562644 /nfs/dbraw/zinc/56/26/44/412562644.db2.gz VMIONAGDZNYCJP-NEPJUHHUSA-N 2 2 262.357 0.561 20 0 CCADLP C[C@@H](NC(=O)C1CC[NH2+]CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000237498497 352268812 /nfs/dbraw/zinc/26/88/12/352268812.db2.gz OOGBBKFLTLYFDP-VXGBXAGGSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000246360596 352362443 /nfs/dbraw/zinc/36/24/43/352362443.db2.gz XXXXJLJWJOJMIB-ILXRZTDVSA-N 2 2 295.427 0.698 20 0 CCADLP CC1(C)C[NH2+]CCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655417032 412564532 /nfs/dbraw/zinc/56/45/32/412564532.db2.gz DSSQWSBJBRFLRD-NSHDSACASA-N 2 2 262.357 0.656 20 0 CCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000247535801 352419233 /nfs/dbraw/zinc/41/92/33/352419233.db2.gz ORLGVJARCAEJDC-STQMWFEESA-N 2 2 253.390 0.881 20 0 CCADLP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000247535801 352419236 /nfs/dbraw/zinc/41/92/36/352419236.db2.gz ORLGVJARCAEJDC-STQMWFEESA-N 2 2 253.390 0.881 20 0 CCADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOCCO ZINC000247973826 352429472 /nfs/dbraw/zinc/42/94/72/352429472.db2.gz KCFNIZDKIZMHAA-GOEBONIOSA-N 2 2 293.411 0.891 20 0 CCADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOCCO ZINC000247973826 352429476 /nfs/dbraw/zinc/42/94/76/352429476.db2.gz KCFNIZDKIZMHAA-GOEBONIOSA-N 2 2 293.411 0.891 20 0 CCADLP C[C@@H](c1nnnn1C)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000248955667 352469424 /nfs/dbraw/zinc/46/94/24/352469424.db2.gz FUYUOUPGTPPPSR-RYUDHWBXSA-N 2 2 289.387 0.959 20 0 CCADLP C[C@@H](c1nnnn1C)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000248955667 352469428 /nfs/dbraw/zinc/46/94/28/352469428.db2.gz FUYUOUPGTPPPSR-RYUDHWBXSA-N 2 2 289.387 0.959 20 0 CCADLP COCC[N@@H+]1CCN(CC[NH+]2CCOC[C@H]2C)C[C@H]1C ZINC000249056128 352475704 /nfs/dbraw/zinc/47/57/04/352475704.db2.gz OXYUEKUVYFHFNW-HUUCEWRRSA-N 2 2 285.432 0.360 20 0 CCADLP COCC[N@H+]1CCN(CC[NH+]2CCOC[C@H]2C)C[C@H]1C ZINC000249056128 352475707 /nfs/dbraw/zinc/47/57/07/352475707.db2.gz OXYUEKUVYFHFNW-HUUCEWRRSA-N 2 2 285.432 0.360 20 0 CCADLP COCC[NH+]1CCN(CC[N@@H+]2CCOC[C@H]2C)C[C@H]1C ZINC000249056128 352475708 /nfs/dbraw/zinc/47/57/08/352475708.db2.gz OXYUEKUVYFHFNW-HUUCEWRRSA-N 2 2 285.432 0.360 20 0 CCADLP COCC[NH+]1CCN(CC[N@H+]2CCOC[C@H]2C)C[C@H]1C ZINC000249056128 352475712 /nfs/dbraw/zinc/47/57/12/352475712.db2.gz OXYUEKUVYFHFNW-HUUCEWRRSA-N 2 2 285.432 0.360 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(CC[NH+]2CCOC[C@H]2C)C[C@H]1C ZINC000249085122 352476853 /nfs/dbraw/zinc/47/68/53/352476853.db2.gz TUUOMAMOZCLPSL-KFWWJZLASA-N 2 2 285.432 0.094 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(CC[NH+]2CCOC[C@H]2C)C[C@H]1C ZINC000249085122 352476854 /nfs/dbraw/zinc/47/68/54/352476854.db2.gz TUUOMAMOZCLPSL-KFWWJZLASA-N 2 2 285.432 0.094 20 0 CCADLP C[C@H](O)C[NH+]1CCN(CC[N@H+]2CCOC[C@H]2C)C[C@H]1C ZINC000249085122 352476856 /nfs/dbraw/zinc/47/68/56/352476856.db2.gz TUUOMAMOZCLPSL-KFWWJZLASA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H]1CC[N@H+](CC2CC[NH2+]CC2)CCS1(=O)=O ZINC000261642659 352562231 /nfs/dbraw/zinc/56/22/31/352562231.db2.gz DKTQMBNFGYGVEF-LLVKDONJSA-N 2 2 260.403 0.495 20 0 CCADLP C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)CCS1(=O)=O ZINC000261642659 352562235 /nfs/dbraw/zinc/56/22/35/352562235.db2.gz DKTQMBNFGYGVEF-LLVKDONJSA-N 2 2 260.403 0.495 20 0 CCADLP C[C@H](C(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C1C[NH2+]C1 ZINC000262028855 352571229 /nfs/dbraw/zinc/57/12/29/352571229.db2.gz BIVCDRSQERJFAS-JSGCOSHPSA-N 2 2 281.400 0.165 20 0 CCADLP [NH3+]CC1(C(=O)NCc2ccn3cc[nH+]c3c2)CCOCC1 ZINC000262059460 352574351 /nfs/dbraw/zinc/57/43/51/352574351.db2.gz ASKKQWBQFWVLAL-UHFFFAOYSA-N 2 2 288.351 0.706 20 0 CCADLP C[C@H](C[NH3+])NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000418514422 234148739 /nfs/dbraw/zinc/14/87/39/234148739.db2.gz OIXCHHLGDPEREL-OLZOCXBDSA-N 2 2 284.404 0.230 20 0 CCADLP C[C@H](CNC(=O)NCc1[nH+]ccn1C)C[NH+]1CCOCC1 ZINC000265733340 352659960 /nfs/dbraw/zinc/65/99/60/352659960.db2.gz LBBMHZNCJASQDL-GFCCVEGCSA-N 2 2 295.387 0.188 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)Cn1cc[nH+]c1 ZINC000267084161 352743474 /nfs/dbraw/zinc/74/34/74/352743474.db2.gz JMFFHBWTMAHINJ-RYUDHWBXSA-N 2 2 250.346 0.730 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)Cn1cc[nH+]c1 ZINC000267084161 352743477 /nfs/dbraw/zinc/74/34/77/352743477.db2.gz JMFFHBWTMAHINJ-RYUDHWBXSA-N 2 2 250.346 0.730 20 0 CCADLP COc1ccnc(NCC[NH+]2CCC([NH+](C)C)CC2)n1 ZINC000267183327 352749892 /nfs/dbraw/zinc/74/98/92/352749892.db2.gz KRNFWJFXSDRNMP-UHFFFAOYSA-N 2 2 279.388 0.923 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000267211552 352752043 /nfs/dbraw/zinc/75/20/43/352752043.db2.gz SKBWJFPHIJIGFR-CYBMUJFWSA-N 2 2 297.428 0.657 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNc2nccn3cnnc23)CC1 ZINC000267237013 352753632 /nfs/dbraw/zinc/75/36/32/352753632.db2.gz WUVSTKVLQQDKCU-UHFFFAOYSA-N 2 2 289.387 0.562 20 0 CCADLP CN1CC[C@H]([N@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)C1=O ZINC000267414426 352765929 /nfs/dbraw/zinc/76/59/29/352765929.db2.gz URTJYOZSXAGLSJ-ZDUSSCGKSA-N 2 2 285.351 0.930 20 0 CCADLP CN1CC[C@H]([N@@H+](C)Cc2ccc(-n3cc[nH+]c3)nc2)C1=O ZINC000267414426 352765933 /nfs/dbraw/zinc/76/59/33/352765933.db2.gz URTJYOZSXAGLSJ-ZDUSSCGKSA-N 2 2 285.351 0.930 20 0 CCADLP C[NH+](C)C[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC000268223515 352817250 /nfs/dbraw/zinc/81/72/50/352817250.db2.gz XBBXDVHYXLKZLF-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP CC[N@H+](CC(=O)N[C@@H](C)Cn1cc[nH+]c1)C1CC1 ZINC000269672496 352861331 /nfs/dbraw/zinc/86/13/31/352861331.db2.gz IVCTWDLGYPAIBO-NSHDSACASA-N 2 2 250.346 0.872 20 0 CCADLP CC[N@@H+](CC(=O)N[C@@H](C)Cn1cc[nH+]c1)C1CC1 ZINC000269672496 352861334 /nfs/dbraw/zinc/86/13/34/352861334.db2.gz IVCTWDLGYPAIBO-NSHDSACASA-N 2 2 250.346 0.872 20 0 CCADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000418736044 234219100 /nfs/dbraw/zinc/21/91/00/234219100.db2.gz XVDMUDJKXABJRN-OLZOCXBDSA-N 2 2 291.399 0.957 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@](C)(O)C[NH+](C)C)c[nH]1 ZINC000269806970 352876575 /nfs/dbraw/zinc/87/65/75/352876575.db2.gz LFHNIWOVNHWALC-ZDUSSCGKSA-N 2 2 269.345 0.204 20 0 CCADLP COCC[N@H+](CCn1cc[nH+]c1C)[C@H](C)C(N)=O ZINC000270833617 352993051 /nfs/dbraw/zinc/99/30/51/352993051.db2.gz DKUSKQKKZIBHNV-SNVBAGLBSA-N 2 2 254.334 0.014 20 0 CCADLP COCC[N@@H+](CCn1cc[nH+]c1C)[C@H](C)C(N)=O ZINC000270833617 352993055 /nfs/dbraw/zinc/99/30/55/352993055.db2.gz DKUSKQKKZIBHNV-SNVBAGLBSA-N 2 2 254.334 0.014 20 0 CCADLP CCN(C)C(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000270529299 352944828 /nfs/dbraw/zinc/94/48/28/352944828.db2.gz OBWSDKCJJPBAIQ-UHFFFAOYSA-N 2 2 265.361 0.020 20 0 CCADLP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)CCn1cc[nH+]c1 ZINC000274472181 353132742 /nfs/dbraw/zinc/13/27/42/353132742.db2.gz MGUCBYUSXLWZOL-AWEZNQCLSA-N 2 2 293.415 0.415 20 0 CCADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)CCn1cc[nH+]c1 ZINC000274472181 353132747 /nfs/dbraw/zinc/13/27/47/353132747.db2.gz MGUCBYUSXLWZOL-AWEZNQCLSA-N 2 2 293.415 0.415 20 0 CCADLP COc1cccc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)n1 ZINC000276953825 353213403 /nfs/dbraw/zinc/21/34/03/353213403.db2.gz KKHGTGAFYHCCFK-CYBMUJFWSA-N 2 2 292.383 0.520 20 0 CCADLP COc1cccc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)n1 ZINC000276953825 353213405 /nfs/dbraw/zinc/21/34/05/353213405.db2.gz KKHGTGAFYHCCFK-CYBMUJFWSA-N 2 2 292.383 0.520 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000154884385 188167824 /nfs/dbraw/zinc/16/78/24/188167824.db2.gz JTZIVAOAVLWVMZ-GFCCVEGCSA-N 2 2 266.345 0.062 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000154884385 188167826 /nfs/dbraw/zinc/16/78/26/188167826.db2.gz JTZIVAOAVLWVMZ-GFCCVEGCSA-N 2 2 266.345 0.062 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1CNc1cc(N2CCCC2)[nH+]cn1 ZINC000277469048 353245098 /nfs/dbraw/zinc/24/50/98/353245098.db2.gz OUANMYXVGDEJBH-CYBMUJFWSA-N 2 2 290.415 0.735 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1CNc1cc(N2CCCC2)[nH+]cn1 ZINC000277469048 353245099 /nfs/dbraw/zinc/24/50/99/353245099.db2.gz OUANMYXVGDEJBH-CYBMUJFWSA-N 2 2 290.415 0.735 20 0 CCADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156465531 188263741 /nfs/dbraw/zinc/26/37/41/188263741.db2.gz MIGXPKBAJUJYRO-QWRGUYRKSA-N 2 2 279.344 0.222 20 0 CCADLP CNC(=O)NC(=O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156465531 188263742 /nfs/dbraw/zinc/26/37/42/188263742.db2.gz MIGXPKBAJUJYRO-QWRGUYRKSA-N 2 2 279.344 0.222 20 0 CCADLP C[C@H]([C@H](C)NC(=O)CCc1c[nH+]c[nH]1)[NH+]1CCOCC1 ZINC000280551450 353368601 /nfs/dbraw/zinc/36/86/01/353368601.db2.gz PJANDTXXEGYWGC-NWDGAFQWSA-N 2 2 280.372 0.568 20 0 CCADLP C[C@H](NC(=O)CCc1c[nH+]cn1C)[C@H](C)[NH+]1CCOCC1 ZINC000280551568 353368709 /nfs/dbraw/zinc/36/87/09/353368709.db2.gz PKMSFBXYYATRJH-STQMWFEESA-N 2 2 294.399 0.578 20 0 CCADLP CSCC[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000157979282 188350421 /nfs/dbraw/zinc/35/04/21/188350421.db2.gz FPOPBGLMWKYULR-NWDGAFQWSA-N 2 2 294.424 0.857 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC000280830304 353386696 /nfs/dbraw/zinc/38/66/96/353386696.db2.gz STIGRVNYPJCJIK-UHFFFAOYSA-N 2 2 268.361 0.345 20 0 CCADLP COCC[N@@H+](C)CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC000280830304 353386697 /nfs/dbraw/zinc/38/66/97/353386697.db2.gz STIGRVNYPJCJIK-UHFFFAOYSA-N 2 2 268.361 0.345 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)Cc1[nH+]c[nH]c1C ZINC000280830304 353386698 /nfs/dbraw/zinc/38/66/98/353386698.db2.gz STIGRVNYPJCJIK-UHFFFAOYSA-N 2 2 268.361 0.345 20 0 CCADLP COCC[N@@H+](C)CCCNC(=O)Cc1[nH+]c[nH]c1C ZINC000280830304 353386699 /nfs/dbraw/zinc/38/66/99/353386699.db2.gz STIGRVNYPJCJIK-UHFFFAOYSA-N 2 2 268.361 0.345 20 0 CCADLP COc1ccc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)nn1 ZINC000283032523 353474680 /nfs/dbraw/zinc/47/46/80/353474680.db2.gz HSHKATDFJMJNDP-UHFFFAOYSA-N 2 2 288.355 0.541 20 0 CCADLP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000286352486 353580346 /nfs/dbraw/zinc/58/03/46/353580346.db2.gz KVXGQWUPRNEQHI-KBPBESRZSA-N 2 2 292.383 0.595 20 0 CCADLP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Cn1cc[nH+]c1 ZINC000286613991 353600214 /nfs/dbraw/zinc/60/02/14/353600214.db2.gz AAKUTDRMMWUKKZ-CHWSQXEVSA-N 2 2 262.357 0.968 20 0 CCADLP O=C(N[C@H]1CC12CC[NH2+]CC2)[C@H]1CCc2[nH+]ccn2C1 ZINC000655463048 412582528 /nfs/dbraw/zinc/58/25/28/412582528.db2.gz CHUHWKRRRYAWCV-RYUDHWBXSA-N 2 2 274.368 0.704 20 0 CCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCc2cccnc2OC)C1 ZINC000289919806 353693871 /nfs/dbraw/zinc/69/38/71/353693871.db2.gz VIMAHAXTNMDUKB-CQSZACIVSA-N 2 2 279.384 0.943 20 0 CCADLP COCC[N@H+]1CC[C@@H]([NH2+]CCc2cccnc2OC)C1 ZINC000289919806 353693874 /nfs/dbraw/zinc/69/38/74/353693874.db2.gz VIMAHAXTNMDUKB-CQSZACIVSA-N 2 2 279.384 0.943 20 0 CCADLP CO[C@H](C[NH3+])C(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000289986161 353698760 /nfs/dbraw/zinc/69/87/60/353698760.db2.gz OIBVFSKFXHKGBY-LLVKDONJSA-N 2 2 262.313 0.233 20 0 CCADLP COC(=O)CC[C@H]([NH3+])C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000290088897 353706528 /nfs/dbraw/zinc/70/65/28/353706528.db2.gz XAAGYFKXWYXVHT-NSHDSACASA-N 2 2 290.323 0.862 20 0 CCADLP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCc1[nH+]ccn1C ZINC000290158868 353711838 /nfs/dbraw/zinc/71/18/38/353711838.db2.gz LULQSCUVONQMFN-ZYHUDNBSSA-N 2 2 250.346 0.670 20 0 CCADLP Cc1nc(N2CC[NH+](C[C@@H](O)C(C)C)CC2)cc[nH+]1 ZINC000292826570 353785875 /nfs/dbraw/zinc/78/58/75/353785875.db2.gz DJKLVNZNWREJEK-CYBMUJFWSA-N 2 2 264.373 0.924 20 0 CCADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)Cn1cc[nH+]c1 ZINC000291104984 353768064 /nfs/dbraw/zinc/76/80/64/353768064.db2.gz CYAGBHSMOAHRSE-CHWSQXEVSA-N 2 2 278.356 0.205 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H](C)[N@H+]1C ZINC000293872545 353846778 /nfs/dbraw/zinc/84/67/78/353846778.db2.gz BWYUGSKCXMTBIE-PHIMTYICSA-N 2 2 250.346 0.893 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H](C)[N@@H+]1C ZINC000293872545 353846783 /nfs/dbraw/zinc/84/67/83/353846783.db2.gz BWYUGSKCXMTBIE-PHIMTYICSA-N 2 2 250.346 0.893 20 0 CCADLP C[C@@H](O)CNc1cc(N2CC[N@@H+]3CCCC[C@H]3C2)nc[nH+]1 ZINC000298225913 353962539 /nfs/dbraw/zinc/96/25/39/353962539.db2.gz KJWOFZYCSWTMFW-OLZOCXBDSA-N 2 2 291.399 0.944 20 0 CCADLP C[C@@H](O)CNc1cc(N2CC[N@H+]3CCCC[C@H]3C2)nc[nH+]1 ZINC000298225913 353962541 /nfs/dbraw/zinc/96/25/41/353962541.db2.gz KJWOFZYCSWTMFW-OLZOCXBDSA-N 2 2 291.399 0.944 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COCc1ccco1 ZINC000300689097 354067226 /nfs/dbraw/zinc/06/72/26/354067226.db2.gz DOGNYFBWWVHQHI-OLZOCXBDSA-N 2 2 268.357 0.841 20 0 CCADLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COCc1ccco1 ZINC000300689097 354067230 /nfs/dbraw/zinc/06/72/30/354067230.db2.gz DOGNYFBWWVHQHI-OLZOCXBDSA-N 2 2 268.357 0.841 20 0 CCADLP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cnn(C)c1 ZINC000305159270 354134832 /nfs/dbraw/zinc/13/48/32/354134832.db2.gz WQAHFNYUXUAACD-UONOGXRCSA-N 2 2 266.389 0.918 20 0 CCADLP C[C@@H](CNc1nc[nH+]c(N)c1Cl)N1CC[NH+](C)CC1 ZINC000302878641 354092357 /nfs/dbraw/zinc/09/23/57/354092357.db2.gz GLXMUGTZDOHWKO-VIFPVBQESA-N 2 2 284.795 0.760 20 0 CCADLP CN(CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)C[NH+]1CCOCC1 ZINC000304313277 354112479 /nfs/dbraw/zinc/11/24/79/354112479.db2.gz NCPRTONEOCXURF-CVEARBPZSA-N 2 2 299.459 0.486 20 0 CCADLP CCn1nc(C)c(C[NH2+]C[C@](C)(O)C[NH+](C)C)c1C ZINC000305223847 354140089 /nfs/dbraw/zinc/14/00/89/354140089.db2.gz NHFMPEIVLOWGIB-AWEZNQCLSA-N 2 2 268.405 0.922 20 0 CCADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cccc(CO)c1 ZINC000305656330 354149587 /nfs/dbraw/zinc/14/95/87/354149587.db2.gz PSFJQNPJWQYXCJ-SMDDNHRTSA-N 2 2 252.358 0.752 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)Cc1cccnc1 ZINC000311897907 354204779 /nfs/dbraw/zinc/20/47/79/354204779.db2.gz BTHOTKQFNZXVFQ-CQSZACIVSA-N 2 2 267.373 0.453 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1cccnc1 ZINC000311897907 354204781 /nfs/dbraw/zinc/20/47/81/354204781.db2.gz BTHOTKQFNZXVFQ-CQSZACIVSA-N 2 2 267.373 0.453 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)Cc1cccnc1 ZINC000311897907 354204786 /nfs/dbraw/zinc/20/47/86/354204786.db2.gz BTHOTKQFNZXVFQ-CQSZACIVSA-N 2 2 267.373 0.453 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1cccnc1 ZINC000311897907 354204789 /nfs/dbraw/zinc/20/47/89/354204789.db2.gz BTHOTKQFNZXVFQ-CQSZACIVSA-N 2 2 267.373 0.453 20 0 CCADLP CCOC(=O)[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000312806274 354211342 /nfs/dbraw/zinc/21/13/42/354211342.db2.gz RWUWEWMIXNMBQG-UONOGXRCSA-N 2 2 286.416 0.963 20 0 CCADLP CCOC(=O)[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000312806274 354211346 /nfs/dbraw/zinc/21/13/46/354211346.db2.gz RWUWEWMIXNMBQG-UONOGXRCSA-N 2 2 286.416 0.963 20 0 CCADLP CCOC(=O)[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000312806274 354211351 /nfs/dbraw/zinc/21/13/51/354211351.db2.gz RWUWEWMIXNMBQG-UONOGXRCSA-N 2 2 286.416 0.963 20 0 CCADLP CCOC(=O)[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000312806274 354211356 /nfs/dbraw/zinc/21/13/56/354211356.db2.gz RWUWEWMIXNMBQG-UONOGXRCSA-N 2 2 286.416 0.963 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655483963 412588817 /nfs/dbraw/zinc/58/88/17/412588817.db2.gz OLPVOVRMQQHKIJ-GARJFASQSA-N 2 2 250.346 0.688 20 0 CCADLP C[NH2+]CCC1CC[NH+](Cc2cc(=O)n3[nH]ccc3n2)CC1 ZINC000330363009 354325673 /nfs/dbraw/zinc/32/56/73/354325673.db2.gz OOGFHVIRDXMZQV-UHFFFAOYSA-N 2 2 289.383 0.844 20 0 CCADLP C[C@@H](CNC(=O)c1coc(C[NH3+])c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487906 412589515 /nfs/dbraw/zinc/58/95/15/412589515.db2.gz PNSZFNIIJUCPLY-SDDRHHMPSA-N 2 2 295.383 0.966 20 0 CCADLP C[C@@H](CNC(=O)c1coc(C[NH3+])c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487906 412589519 /nfs/dbraw/zinc/58/95/19/412589519.db2.gz PNSZFNIIJUCPLY-SDDRHHMPSA-N 2 2 295.383 0.966 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000353818642 283024041 /nfs/dbraw/zinc/02/40/41/283024041.db2.gz XCCFKSFDWGUVGX-HZSPNIEDSA-N 2 2 281.400 0.069 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000353818642 283024042 /nfs/dbraw/zinc/02/40/42/283024042.db2.gz XCCFKSFDWGUVGX-HZSPNIEDSA-N 2 2 281.400 0.069 20 0 CCADLP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cnccn1 ZINC000331120372 354456255 /nfs/dbraw/zinc/45/62/55/354456255.db2.gz MKCKKXROHNFBIY-LBPRGKRZSA-N 2 2 264.373 0.974 20 0 CCADLP CCOC[C@@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000331191727 354485284 /nfs/dbraw/zinc/48/52/84/354485284.db2.gz REMBAMOPQJFVAE-ZDUSSCGKSA-N 2 2 253.346 0.917 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+]CCn2cc[nH+]c2)no1 ZINC000557432522 291032253 /nfs/dbraw/zinc/03/22/53/291032253.db2.gz WRFWBXUSCHPKNX-UHFFFAOYSA-N 2 2 263.301 0.220 20 0 CCADLP CC[NH+](CC)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000557482173 291033733 /nfs/dbraw/zinc/03/37/33/291033733.db2.gz WQBMOOMEUSHBBB-LBPRGKRZSA-N 2 2 264.373 0.904 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000331412395 354567629 /nfs/dbraw/zinc/56/76/29/354567629.db2.gz CNNANFCOKBFDSG-CYBMUJFWSA-N 2 2 276.384 0.972 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000331412395 354567631 /nfs/dbraw/zinc/56/76/31/354567631.db2.gz CNNANFCOKBFDSG-CYBMUJFWSA-N 2 2 276.384 0.972 20 0 CCADLP C[C@@H]1CN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C[C@@H]1[NH3+] ZINC000332183711 354626434 /nfs/dbraw/zinc/62/64/34/354626434.db2.gz ZKZUMPGTZPXYJR-AGIUHOORSA-N 2 2 289.383 0.649 20 0 CCADLP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365404151 291037822 /nfs/dbraw/zinc/03/78/22/291037822.db2.gz OVEUSGUNZCRRTP-LBPRGKRZSA-N 2 2 285.388 0.082 20 0 CCADLP COC(=O)CCNC(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365404151 291037825 /nfs/dbraw/zinc/03/78/25/291037825.db2.gz OVEUSGUNZCRRTP-LBPRGKRZSA-N 2 2 285.388 0.082 20 0 CCADLP [NH3+]C1(CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CCC1 ZINC000333652098 354770544 /nfs/dbraw/zinc/77/05/44/354770544.db2.gz JZEPLRSNRWXKMY-GFCCVEGCSA-N 2 2 277.372 0.939 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000333675038 354774395 /nfs/dbraw/zinc/77/43/95/354774395.db2.gz YVPQQICXIISSTI-JSGCOSHPSA-N 2 2 284.404 0.006 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000333675038 354774400 /nfs/dbraw/zinc/77/44/00/354774400.db2.gz YVPQQICXIISSTI-JSGCOSHPSA-N 2 2 284.404 0.006 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC000333705829 354780524 /nfs/dbraw/zinc/78/05/24/354780524.db2.gz RNMPNLMUBDKDBJ-NRWUCQMLSA-N 2 2 269.389 0.258 20 0 CCADLP O=C(N[C@H]1CCC[NH2+]C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000333735167 354785809 /nfs/dbraw/zinc/78/58/09/354785809.db2.gz WUTLLMVACHKXDK-KBPBESRZSA-N 2 2 296.415 0.245 20 0 CCADLP Cc1nc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc[nH+]1 ZINC000608082647 363400060 /nfs/dbraw/zinc/40/00/60/363400060.db2.gz ISWIUKKFHLWJCP-QWHCGFSZSA-N 2 2 262.357 0.820 20 0 CCADLP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000333816421 354799627 /nfs/dbraw/zinc/79/96/27/354799627.db2.gz GRWVRWUANPPIST-BARDWOONSA-N 2 2 297.443 0.929 20 0 CCADLP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000333816421 354799629 /nfs/dbraw/zinc/79/96/29/354799629.db2.gz GRWVRWUANPPIST-BARDWOONSA-N 2 2 297.443 0.929 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000333819558 354800383 /nfs/dbraw/zinc/80/03/83/354800383.db2.gz JMDCEYDXFRMMGU-RWMBFGLXSA-N 2 2 277.372 0.617 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000333819558 354800385 /nfs/dbraw/zinc/80/03/85/354800385.db2.gz JMDCEYDXFRMMGU-RWMBFGLXSA-N 2 2 277.372 0.617 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[NH2+]CCO2)[C@@H](n2cncn2)C1 ZINC000333852375 354804932 /nfs/dbraw/zinc/80/49/32/354804932.db2.gz QHAUIMRDOPXJCM-MQYQWHSLSA-N 2 2 279.388 0.586 20 0 CCADLP C[C@@]1(CNC(=O)N2CCn3c[nH+]cc3C2)CCC[NH2+]C1 ZINC000333872029 354808700 /nfs/dbraw/zinc/80/87/00/354808700.db2.gz UTPZQVWNWPEQNK-CQSZACIVSA-N 2 2 277.372 0.798 20 0 CCADLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@@H]2CNc3ccnn3C2)C1 ZINC000608582513 363441647 /nfs/dbraw/zinc/44/16/47/363441647.db2.gz LQBBDVFPJMKYTF-CHWSQXEVSA-N 2 2 263.389 0.856 20 0 CCADLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@@H]2CNc3ccnn3C2)C1 ZINC000608582513 363441653 /nfs/dbraw/zinc/44/16/53/363441653.db2.gz LQBBDVFPJMKYTF-CHWSQXEVSA-N 2 2 263.389 0.856 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000334628213 354914138 /nfs/dbraw/zinc/91/41/38/354914138.db2.gz ZHMUKBQLNZSMCG-OLZOCXBDSA-N 2 2 262.357 0.887 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000334628213 354914143 /nfs/dbraw/zinc/91/41/43/354914143.db2.gz ZHMUKBQLNZSMCG-OLZOCXBDSA-N 2 2 262.357 0.887 20 0 CCADLP O=C(NC[C@H]1CC[NH2+]C1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000423548164 235004528 /nfs/dbraw/zinc/00/45/28/235004528.db2.gz DRKUPMOXKBMTTD-KBPBESRZSA-N 2 2 281.400 0.213 20 0 CCADLP O=C(NC[C@H]1CC[NH2+]C1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000423548164 235004532 /nfs/dbraw/zinc/00/45/32/235004532.db2.gz DRKUPMOXKBMTTD-KBPBESRZSA-N 2 2 281.400 0.213 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000423617243 235019949 /nfs/dbraw/zinc/01/99/49/235019949.db2.gz SRGKCFFCTMEYTL-NWANDNLSSA-N 2 2 295.427 0.887 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000423617243 235019951 /nfs/dbraw/zinc/01/99/51/235019951.db2.gz SRGKCFFCTMEYTL-NWANDNLSSA-N 2 2 295.427 0.887 20 0 CCADLP Cc1cccn2cc(CC(=O)N[C@@H]3CC[NH2+]C3)[nH+]c12 ZINC000335886894 355037570 /nfs/dbraw/zinc/03/75/70/355037570.db2.gz SUNIUEJEKCRQJH-LLVKDONJSA-N 2 2 258.325 0.663 20 0 CCADLP Cc1cccn2cc(CC(=O)N3CC([NH+](C)C)C3)[nH+]c12 ZINC000335908710 355042745 /nfs/dbraw/zinc/04/27/45/355042745.db2.gz LWLPZJKFQAMQNF-UHFFFAOYSA-N 2 2 272.352 0.958 20 0 CCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@@H]2CSC[NH2+]2)C1 ZINC000335656502 355004227 /nfs/dbraw/zinc/00/42/27/355004227.db2.gz KJTVOERQHBPUJB-NEPJUHHUSA-N 2 2 294.424 0.864 20 0 CCADLP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000335811108 355017463 /nfs/dbraw/zinc/01/74/63/355017463.db2.gz VBRHHIKUFVNWPM-VXGBXAGGSA-N 2 2 287.354 0.832 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C2([NH3+])CC2)C[C@H](C)O1 ZINC000423761949 235064796 /nfs/dbraw/zinc/06/47/96/235064796.db2.gz NHUKQFCCDXPRMN-PHIMTYICSA-N 2 2 255.362 0.045 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C2([NH3+])CC2)C[C@H](C)O1 ZINC000423761949 235064800 /nfs/dbraw/zinc/06/48/00/235064800.db2.gz NHUKQFCCDXPRMN-PHIMTYICSA-N 2 2 255.362 0.045 20 0 CCADLP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCn2c[nH+]cc2C1 ZINC000336023329 355074776 /nfs/dbraw/zinc/07/47/76/355074776.db2.gz CRLCOWIFKHVTPY-LBPRGKRZSA-N 2 2 289.383 0.893 20 0 CCADLP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCn2c[nH+]cc2C1 ZINC000336023329 355074779 /nfs/dbraw/zinc/07/47/79/355074779.db2.gz CRLCOWIFKHVTPY-LBPRGKRZSA-N 2 2 289.383 0.893 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000336181039 355111058 /nfs/dbraw/zinc/11/10/58/355111058.db2.gz CPRJSGSYWZGIOF-AWEZNQCLSA-N 2 2 262.357 0.794 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000336181039 355111065 /nfs/dbraw/zinc/11/10/65/355111065.db2.gz CPRJSGSYWZGIOF-AWEZNQCLSA-N 2 2 262.357 0.794 20 0 CCADLP O=C(NCc1[nH]cc[nH+]1)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000424138569 235159581 /nfs/dbraw/zinc/15/95/81/235159581.db2.gz DGDXZKFZQTWDSC-VIFPVBQESA-N 2 2 274.328 0.530 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC000336691516 355137124 /nfs/dbraw/zinc/13/71/24/355137124.db2.gz BCSZDRMQIHHPGO-CHWSQXEVSA-N 2 2 253.390 0.929 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC000336691516 355137126 /nfs/dbraw/zinc/13/71/26/355137126.db2.gz BCSZDRMQIHHPGO-CHWSQXEVSA-N 2 2 253.390 0.929 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CCS(=O)(=O)N(C)C)C1 ZINC000336810784 355185903 /nfs/dbraw/zinc/18/59/03/355185903.db2.gz JJCMHAHVCZIWNI-ZDUSSCGKSA-N 2 2 291.461 0.542 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCS(=O)(=O)N(C)C)C1 ZINC000336810784 355185904 /nfs/dbraw/zinc/18/59/04/355185904.db2.gz JJCMHAHVCZIWNI-ZDUSSCGKSA-N 2 2 291.461 0.542 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cncn3C)C2)CC1 ZINC000336820229 355193227 /nfs/dbraw/zinc/19/32/27/355193227.db2.gz CEGABHUJJSVIGQ-AWEZNQCLSA-N 2 2 277.416 0.632 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cncn3C)C2)CC1 ZINC000336820229 355193229 /nfs/dbraw/zinc/19/32/29/355193229.db2.gz CEGABHUJJSVIGQ-AWEZNQCLSA-N 2 2 277.416 0.632 20 0 CCADLP COCCN1CC[C@@H]([NH2+]CC2([NH+](C)C)CCC2)C1 ZINC000336900453 355223335 /nfs/dbraw/zinc/22/33/35/355223335.db2.gz RSNRFRBQTRQRTO-CYBMUJFWSA-N 2 2 255.406 0.781 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NCC2([NH+](C)C)CCC2)C1 ZINC000336900453 355223337 /nfs/dbraw/zinc/22/33/37/355223337.db2.gz RSNRFRBQTRQRTO-CYBMUJFWSA-N 2 2 255.406 0.781 20 0 CCADLP COCC[N@H+]1CC[C@@H](NCC2([NH+](C)C)CCC2)C1 ZINC000336900453 355223339 /nfs/dbraw/zinc/22/33/39/355223339.db2.gz RSNRFRBQTRQRTO-CYBMUJFWSA-N 2 2 255.406 0.781 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC(Cn2ccnn2)CC1)C1CC1 ZINC000336850207 355217403 /nfs/dbraw/zinc/21/74/03/355217403.db2.gz WHECUENKBOOAFL-HNNXBMFYSA-N 2 2 293.415 0.445 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(Cn2ccnn2)CC1)C1CC1 ZINC000336850207 355217408 /nfs/dbraw/zinc/21/74/08/355217408.db2.gz WHECUENKBOOAFL-HNNXBMFYSA-N 2 2 293.415 0.445 20 0 CCADLP C[N@H+]1CC=C(CNC(=O)NCCCn2cc[nH+]c2)CC1 ZINC000271843250 191362612 /nfs/dbraw/zinc/36/26/12/191362612.db2.gz UBJGTLFDMGYBHA-UHFFFAOYSA-N 2 2 277.372 0.834 20 0 CCADLP C[N@@H+]1CC=C(CNC(=O)NCCCn2cc[nH+]c2)CC1 ZINC000271843250 191362615 /nfs/dbraw/zinc/36/26/15/191362615.db2.gz UBJGTLFDMGYBHA-UHFFFAOYSA-N 2 2 277.372 0.834 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCn3cnnc3C2)CC1 ZINC000337261499 355293165 /nfs/dbraw/zinc/29/31/65/355293165.db2.gz YBZUZFAEOGQRRJ-UHFFFAOYSA-N 2 2 292.431 0.510 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCn3cnnc3C2)CC1 ZINC000337261499 355293170 /nfs/dbraw/zinc/29/31/70/355293170.db2.gz YBZUZFAEOGQRRJ-UHFFFAOYSA-N 2 2 292.431 0.510 20 0 CCADLP CN(C)C1(C[N@H+](C)CCC(=O)N2CC[NH+](C)CC2)CCC1 ZINC000338359548 355331201 /nfs/dbraw/zinc/33/12/01/355331201.db2.gz IIHNLBZSCCBYHW-UHFFFAOYSA-N 2 2 296.459 0.567 20 0 CCADLP CN(C)C1(C[N@@H+](C)CCC(=O)N2CC[NH+](C)CC2)CCC1 ZINC000338359548 355331205 /nfs/dbraw/zinc/33/12/05/355331205.db2.gz IIHNLBZSCCBYHW-UHFFFAOYSA-N 2 2 296.459 0.567 20 0 CCADLP CN(CCC(=O)N1CC[NH+](C)CC1)CC1([NH+](C)C)CCC1 ZINC000338359548 355331209 /nfs/dbraw/zinc/33/12/09/355331209.db2.gz IIHNLBZSCCBYHW-UHFFFAOYSA-N 2 2 296.459 0.567 20 0 CCADLP CNS(=O)(=O)CCC[N@@H+]1C[C@@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000337183487 355279874 /nfs/dbraw/zinc/27/98/74/355279874.db2.gz NPYQLJQAJASLDI-ZIAGYGMSSA-N 2 2 297.424 0.352 20 0 CCADLP CNS(=O)(=O)CCC[N@H+]1C[C@@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000337183487 355279877 /nfs/dbraw/zinc/27/98/77/355279877.db2.gz NPYQLJQAJASLDI-ZIAGYGMSSA-N 2 2 297.424 0.352 20 0 CCADLP CC[N@H+](CCNC(=O)NCCn1cc[nH+]c1)C(C)C ZINC000338803870 355423618 /nfs/dbraw/zinc/42/36/18/355423618.db2.gz AXVAESQYXUXAKN-UHFFFAOYSA-N 2 2 267.377 0.913 20 0 CCADLP CC[N@@H+](CCNC(=O)NCCn1cc[nH+]c1)C(C)C ZINC000338803870 355423619 /nfs/dbraw/zinc/42/36/19/355423619.db2.gz AXVAESQYXUXAKN-UHFFFAOYSA-N 2 2 267.377 0.913 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC2CCC2)CC1 ZINC000340257970 355540326 /nfs/dbraw/zinc/54/03/26/355540326.db2.gz YHBDNSPABRDGOG-UHFFFAOYSA-N 2 2 268.405 0.864 20 0 CCADLP C[N@@H+]1CC[C@@]2(CC[NH+](CCN3C[C@H]4CC[C@@H](C3)O4)C2)C1 ZINC000429046533 283106624 /nfs/dbraw/zinc/10/66/24/283106624.db2.gz XOYCLARSHZCRLI-OWCLPIDISA-N 2 2 279.428 0.877 20 0 CCADLP C[N@H+]1CC[C@@]2(CC[NH+](CCN3C[C@H]4CC[C@@H](C3)O4)C2)C1 ZINC000429046533 283106625 /nfs/dbraw/zinc/10/66/25/283106625.db2.gz XOYCLARSHZCRLI-OWCLPIDISA-N 2 2 279.428 0.877 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@H+](CCN3C[C@H]4CC[C@@H](C3)O4)C2)C1 ZINC000429046533 283106626 /nfs/dbraw/zinc/10/66/26/283106626.db2.gz XOYCLARSHZCRLI-OWCLPIDISA-N 2 2 279.428 0.877 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@@H+](CCN3C[C@H]4CC[C@@H](C3)O4)C2)C1 ZINC000429046533 283106627 /nfs/dbraw/zinc/10/66/27/283106627.db2.gz XOYCLARSHZCRLI-OWCLPIDISA-N 2 2 279.428 0.877 20 0 CCADLP C[N@@H+]1CC[C@@]2(CCN(CC[NH+]3C[C@H]4CC[C@@H](C3)O4)C2)C1 ZINC000429046533 283106628 /nfs/dbraw/zinc/10/66/28/283106628.db2.gz XOYCLARSHZCRLI-OWCLPIDISA-N 2 2 279.428 0.877 20 0 CCADLP C[N@H+]1CC[C@@]2(CCN(CC[NH+]3C[C@H]4CC[C@@H](C3)O4)C2)C1 ZINC000429046533 283106629 /nfs/dbraw/zinc/10/66/29/283106629.db2.gz XOYCLARSHZCRLI-OWCLPIDISA-N 2 2 279.428 0.877 20 0 CCADLP C[NH+]1CC[C@@]2(CCN(CC[N@H+]3C[C@H]4CC[C@@H](C3)O4)C2)C1 ZINC000429046533 283106630 /nfs/dbraw/zinc/10/66/30/283106630.db2.gz XOYCLARSHZCRLI-OWCLPIDISA-N 2 2 279.428 0.877 20 0 CCADLP C[NH+]1CC[C@@]2(CCN(CC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)C2)C1 ZINC000429046533 283106631 /nfs/dbraw/zinc/10/66/31/283106631.db2.gz XOYCLARSHZCRLI-OWCLPIDISA-N 2 2 279.428 0.877 20 0 CCADLP [NH3+]C[C@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)C(F)(F)F ZINC000655519445 412610201 /nfs/dbraw/zinc/61/02/01/412610201.db2.gz UIQCEOGZWRCHLZ-VIFPVBQESA-N 2 2 290.289 0.768 20 0 CCADLP CCCCNC(=O)CC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000341515977 355685963 /nfs/dbraw/zinc/68/59/63/355685963.db2.gz OSXFITPXMCZGRE-UHFFFAOYSA-N 2 2 293.415 0.834 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](N(C)CC[NH+]2CCOCC2)C1 ZINC000342755629 355738174 /nfs/dbraw/zinc/73/81/74/355738174.db2.gz KCAZRKSRWRIBTM-CQSZACIVSA-N 2 2 255.406 0.733 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](N(C)CC[NH+]2CCOCC2)C1 ZINC000342755629 355738177 /nfs/dbraw/zinc/73/81/77/355738177.db2.gz KCAZRKSRWRIBTM-CQSZACIVSA-N 2 2 255.406 0.733 20 0 CCADLP Cc1c[nH+]c(CN2CC[NH+](C(C)(C)C(N)=O)CC2)n1C ZINC000342773546 355743372 /nfs/dbraw/zinc/74/33/72/355743372.db2.gz DJEALYKDXMIRLW-UHFFFAOYSA-N 2 2 279.388 0.110 20 0 CCADLP O=C1C[N@H+](C[C@@H]2CCC[NH2+]C2)[C@@H]2CCCC[C@@H]2N1 ZINC000346843517 355874173 /nfs/dbraw/zinc/87/41/73/355874173.db2.gz JOJLVSXRTPPCFH-FRRDWIJNSA-N 2 2 251.374 0.729 20 0 CCADLP O=C1C[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@@H]2CCCC[C@@H]2N1 ZINC000346843517 355874177 /nfs/dbraw/zinc/87/41/77/355874177.db2.gz JOJLVSXRTPPCFH-FRRDWIJNSA-N 2 2 251.374 0.729 20 0 CCADLP CO[C@]1(C)CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000348204564 355886943 /nfs/dbraw/zinc/88/69/43/355886943.db2.gz HDIHWRUYLBRIFI-CQSZACIVSA-N 2 2 269.389 0.261 20 0 CCADLP CO[C@]1(C)CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000348204564 355886948 /nfs/dbraw/zinc/88/69/48/355886948.db2.gz HDIHWRUYLBRIFI-CQSZACIVSA-N 2 2 269.389 0.261 20 0 CCADLP CC[C@H](C(=O)OC)N1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000352723323 356063410 /nfs/dbraw/zinc/06/34/10/356063410.db2.gz DQKNKWAGOWCZDL-CQSZACIVSA-N 2 2 294.399 0.761 20 0 CCADLP COCC[N@H+](C)CCNCc1ncc(C[NH+](C)C)s1 ZINC000352767776 356075072 /nfs/dbraw/zinc/07/50/72/356075072.db2.gz DCXKOTBHOUJGTH-UHFFFAOYSA-N 2 2 286.445 0.873 20 0 CCADLP COCC[N@@H+](C)CCNCc1ncc(C[NH+](C)C)s1 ZINC000352767776 356075074 /nfs/dbraw/zinc/07/50/74/356075074.db2.gz DCXKOTBHOUJGTH-UHFFFAOYSA-N 2 2 286.445 0.873 20 0 CCADLP COCCN(C)CC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352767776 356075075 /nfs/dbraw/zinc/07/50/75/356075075.db2.gz DCXKOTBHOUJGTH-UHFFFAOYSA-N 2 2 286.445 0.873 20 0 CCADLP Cc1cn[nH]c1C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000352836388 356093163 /nfs/dbraw/zinc/09/31/63/356093163.db2.gz STYDDTPSALRMGS-LBPRGKRZSA-N 2 2 279.388 0.395 20 0 CCADLP Cc1cn[nH]c1C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000352836388 356093169 /nfs/dbraw/zinc/09/31/69/356093169.db2.gz STYDDTPSALRMGS-LBPRGKRZSA-N 2 2 279.388 0.395 20 0 CCADLP Cc1c[nH]nc1C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000352836388 356093173 /nfs/dbraw/zinc/09/31/73/356093173.db2.gz STYDDTPSALRMGS-LBPRGKRZSA-N 2 2 279.388 0.395 20 0 CCADLP Cc1c[nH]nc1C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000352836388 356093176 /nfs/dbraw/zinc/09/31/76/356093176.db2.gz STYDDTPSALRMGS-LBPRGKRZSA-N 2 2 279.388 0.395 20 0 CCADLP C[C@@H]1OCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353094247 356156542 /nfs/dbraw/zinc/15/65/42/356156542.db2.gz VHBLSYXCMAQGJW-LUGNKYPNSA-N 2 2 295.427 0.837 20 0 CCADLP C[C@@H]1OCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353094247 356156547 /nfs/dbraw/zinc/15/65/47/356156547.db2.gz VHBLSYXCMAQGJW-LUGNKYPNSA-N 2 2 295.427 0.837 20 0 CCADLP O=C(NC[C@H]1CC[NH2+]C1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000272996348 192013432 /nfs/dbraw/zinc/01/34/32/192013432.db2.gz GNPCSZBMDJATJH-NSHDSACASA-N 2 2 271.324 0.607 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCC2(O)CCOCC2)C1 ZINC000353049112 356147556 /nfs/dbraw/zinc/14/75/56/356147556.db2.gz CJPWZFJQNQUGLO-CHWSQXEVSA-N 2 2 256.390 0.848 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCC2(O)CCOCC2)C1 ZINC000353049112 356147561 /nfs/dbraw/zinc/14/75/61/356147561.db2.gz CJPWZFJQNQUGLO-CHWSQXEVSA-N 2 2 256.390 0.848 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](Cc1cccnc1)C1CC1 ZINC000559639166 291086181 /nfs/dbraw/zinc/08/61/81/291086181.db2.gz KVKSGHXSJCEHNP-INIZCTEOSA-N 2 2 293.411 0.985 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](Cc1cccnc1)C1CC1 ZINC000559639166 291086185 /nfs/dbraw/zinc/08/61/85/291086185.db2.gz KVKSGHXSJCEHNP-INIZCTEOSA-N 2 2 293.411 0.985 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](Cc1cccnc1)C1CC1 ZINC000559639166 291086188 /nfs/dbraw/zinc/08/61/88/291086188.db2.gz KVKSGHXSJCEHNP-INIZCTEOSA-N 2 2 293.411 0.985 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](Cc1cccnc1)C1CC1 ZINC000559639166 291086190 /nfs/dbraw/zinc/08/61/90/291086190.db2.gz KVKSGHXSJCEHNP-INIZCTEOSA-N 2 2 293.411 0.985 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)C2(C)COC2)CC1 ZINC000360410358 137992086 /nfs/dbraw/zinc/99/20/86/137992086.db2.gz GROXCQVQYJRGRH-UHFFFAOYSA-N 2 2 269.389 0.165 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000353466478 356229597 /nfs/dbraw/zinc/22/95/97/356229597.db2.gz HDZZIBCIEQBIJP-CRWXNKLISA-N 2 2 283.416 0.600 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000353464078 356229688 /nfs/dbraw/zinc/22/96/88/356229688.db2.gz XBMCOWWYXRFREP-JQWIXIFHSA-N 2 2 250.346 0.703 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000353465059 356229705 /nfs/dbraw/zinc/22/97/05/356229705.db2.gz ZFQRIKHXEWHAHH-UPJWGTAASA-N 2 2 269.389 0.211 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360554320 138000248 /nfs/dbraw/zinc/00/02/48/138000248.db2.gz VWOVKHWKFDLWSC-ZFWWWQNUSA-N 2 2 283.416 0.603 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360554320 138000249 /nfs/dbraw/zinc/00/02/49/138000249.db2.gz VWOVKHWKFDLWSC-ZFWWWQNUSA-N 2 2 283.416 0.603 20 0 CCADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)Nc1ccon1 ZINC000608756928 363460730 /nfs/dbraw/zinc/46/07/30/363460730.db2.gz AJFCVCMGXHKRCU-UHFFFAOYSA-N 2 2 275.312 0.638 20 0 CCADLP COC[C@H](CO)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000353633115 356262345 /nfs/dbraw/zinc/26/23/45/356262345.db2.gz WHRYBYBMYAOOMH-HNNXBMFYSA-N 2 2 279.384 0.643 20 0 CCADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000360819180 138011814 /nfs/dbraw/zinc/01/18/14/138011814.db2.gz RUYVTWLSDROSFS-UWVGGRQHSA-N 2 2 263.332 0.815 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000353668140 356269506 /nfs/dbraw/zinc/26/95/06/356269506.db2.gz LUVJHTSNKKOKPD-AWEZNQCLSA-N 2 2 279.388 0.571 20 0 CCADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CC[C@@H](CO)O2)s1 ZINC000353709012 356278286 /nfs/dbraw/zinc/27/82/86/356278286.db2.gz RSUPZPOYJPWNTJ-QWRGUYRKSA-N 2 2 285.413 0.834 20 0 CCADLP [NH3+]C1(C(=O)NCc2ccc[nH+]c2N2CCOCC2)CC1 ZINC000353498995 356239007 /nfs/dbraw/zinc/23/90/07/356239007.db2.gz DNAHCQXPBOOVKE-UHFFFAOYSA-N 2 2 276.340 0.026 20 0 CCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)C1CC[NH2+]CC1 ZINC000353502996 356240444 /nfs/dbraw/zinc/24/04/44/356240444.db2.gz SMALNTSLMIIXKM-UHFFFAOYSA-N 2 2 276.384 0.878 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000353532568 356245781 /nfs/dbraw/zinc/24/57/81/356245781.db2.gz VMAHGUOKOIUAQQ-MCIONIFRSA-N 2 2 281.400 0.308 20 0 CCADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cnn(C)c1 ZINC000361353397 138031830 /nfs/dbraw/zinc/03/18/30/138031830.db2.gz SYNIBMCTSKVOSS-KGLIPLIRSA-N 2 2 265.405 0.707 20 0 CCADLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cnn(C)c1 ZINC000361353397 138031831 /nfs/dbraw/zinc/03/18/31/138031831.db2.gz SYNIBMCTSKVOSS-KGLIPLIRSA-N 2 2 265.405 0.707 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361082533 138020970 /nfs/dbraw/zinc/02/09/70/138020970.db2.gz VQYXGGSIXUCQAL-STQMWFEESA-N 2 2 262.357 0.778 20 0 CCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cncc(F)c1 ZINC000361133087 138023031 /nfs/dbraw/zinc/02/30/31/138023031.db2.gz UWGSMISAJGEMFS-LLVKDONJSA-N 2 2 280.347 0.645 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000331934483 291091354 /nfs/dbraw/zinc/09/13/54/291091354.db2.gz HVKUODXYHYJJFC-NWDGAFQWSA-N 2 2 285.388 0.080 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000331934483 291091357 /nfs/dbraw/zinc/09/13/57/291091357.db2.gz HVKUODXYHYJJFC-NWDGAFQWSA-N 2 2 285.388 0.080 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000354264408 356378501 /nfs/dbraw/zinc/37/85/01/356378501.db2.gz DPXJEZPTXIXLEI-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000354264408 356378504 /nfs/dbraw/zinc/37/85/04/356378504.db2.gz DPXJEZPTXIXLEI-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP COC(=O)[C@@H](C)CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000354720372 356482494 /nfs/dbraw/zinc/48/24/94/356482494.db2.gz XPZPRVRWNWTKIA-LBPRGKRZSA-N 2 2 299.415 0.328 20 0 CCADLP O=C(NCc1cc[nH+]c(N2CCOCC2)c1)[C@H]1CC[NH2+]C1 ZINC000430746532 235525375 /nfs/dbraw/zinc/52/53/75/235525375.db2.gz HXMHRRBUGGNASA-ZDUSSCGKSA-N 2 2 290.367 0.144 20 0 CCADLP CCOC(=O)c1c[nH+]ccc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000619490029 366265498 /nfs/dbraw/zinc/26/54/98/366265498.db2.gz KVFXJGOZLJTDFJ-GFCCVEGCSA-N 2 2 291.351 0.779 20 0 CCADLP CCOC(=O)c1c[nH+]ccc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000619490029 366265503 /nfs/dbraw/zinc/26/55/03/366265503.db2.gz KVFXJGOZLJTDFJ-GFCCVEGCSA-N 2 2 291.351 0.779 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000328747366 202038813 /nfs/dbraw/zinc/03/88/13/202038813.db2.gz AVPZKYDFEIEJKO-RYUDHWBXSA-N 2 2 278.356 0.067 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000328747366 202038816 /nfs/dbraw/zinc/03/88/16/202038816.db2.gz AVPZKYDFEIEJKO-RYUDHWBXSA-N 2 2 278.356 0.067 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)NC(=O)NC1CC1 ZINC000609157402 363475864 /nfs/dbraw/zinc/47/58/64/363475864.db2.gz JTGQBSXLOZDQRC-GFCCVEGCSA-N 2 2 291.355 0.508 20 0 CCADLP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)NC(=O)NC1CC1 ZINC000609157402 363475867 /nfs/dbraw/zinc/47/58/67/363475867.db2.gz JTGQBSXLOZDQRC-GFCCVEGCSA-N 2 2 291.355 0.508 20 0 CCADLP CC[NH+]1CCN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000356343717 356749734 /nfs/dbraw/zinc/74/97/34/356749734.db2.gz BULAVBUASWHVPW-ZDUSSCGKSA-N 2 2 284.404 0.054 20 0 CCADLP CC[NH+]1CCN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000356343717 356749737 /nfs/dbraw/zinc/74/97/37/356749737.db2.gz BULAVBUASWHVPW-ZDUSSCGKSA-N 2 2 284.404 0.054 20 0 CCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)CCn1cc[nH+]c1 ZINC000359222412 356788345 /nfs/dbraw/zinc/78/83/45/356788345.db2.gz RAROVACAJMUOCU-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP CC(C)CCOCCNC(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359274875 356791239 /nfs/dbraw/zinc/79/12/39/356791239.db2.gz KSOTXJVKLYRTDB-KBPBESRZSA-N 2 2 283.416 0.317 20 0 CCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000359360219 356807913 /nfs/dbraw/zinc/80/79/13/356807913.db2.gz LQPWSIQKXDWRLF-LLVKDONJSA-N 2 2 280.372 0.902 20 0 CCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000359360219 356807918 /nfs/dbraw/zinc/80/79/18/356807918.db2.gz LQPWSIQKXDWRLF-LLVKDONJSA-N 2 2 280.372 0.902 20 0 CCADLP CCOC(=O)c1c[nH+]ccc1N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000359635540 356862228 /nfs/dbraw/zinc/86/22/28/356862228.db2.gz FOHQIOZVKLIVIV-LBPRGKRZSA-N 2 2 293.367 0.761 20 0 CCADLP CCOC(=O)c1c[nH+]ccc1N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000359635540 356862230 /nfs/dbraw/zinc/86/22/30/356862230.db2.gz FOHQIOZVKLIVIV-LBPRGKRZSA-N 2 2 293.367 0.761 20 0 CCADLP CCCNC(=O)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655682409 412646004 /nfs/dbraw/zinc/64/60/04/412646004.db2.gz DVLJPYWXPIDQSC-CQSZACIVSA-N 2 2 283.416 0.746 20 0 CCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000360443360 357012714 /nfs/dbraw/zinc/01/27/14/357012714.db2.gz IWAKUWURJJXPSE-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000360443360 357012715 /nfs/dbraw/zinc/01/27/15/357012715.db2.gz IWAKUWURJJXPSE-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP O=C(NCC[N@@H+]1CCCOCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364471109 357114416 /nfs/dbraw/zinc/11/44/16/357114416.db2.gz XAYPCKBLTVIYKI-CYBMUJFWSA-N 2 2 292.383 0.284 20 0 CCADLP O=C(NCC[N@H+]1CCCOCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364471109 357114419 /nfs/dbraw/zinc/11/44/19/357114419.db2.gz XAYPCKBLTVIYKI-CYBMUJFWSA-N 2 2 292.383 0.284 20 0 CCADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)CC1 ZINC000365404022 357149837 /nfs/dbraw/zinc/14/98/37/357149837.db2.gz OERQBJSPRPMABZ-ZDUSSCGKSA-N 2 2 289.383 0.939 20 0 CCADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)CC1 ZINC000365404022 357149842 /nfs/dbraw/zinc/14/98/42/357149842.db2.gz OERQBJSPRPMABZ-ZDUSSCGKSA-N 2 2 289.383 0.939 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)C[NH+](C)C)C1 ZINC000365460010 357152446 /nfs/dbraw/zinc/15/24/46/357152446.db2.gz JUUMPHVXGUPOKQ-LLVKDONJSA-N 2 2 250.346 0.688 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCF)CC2)CC1 ZINC000366721301 357233534 /nfs/dbraw/zinc/23/35/34/357233534.db2.gz HSJNALXODHXYSR-UHFFFAOYSA-N 2 2 286.395 0.814 20 0 CCADLP CNC(=O)NC(=O)C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000376426411 357466951 /nfs/dbraw/zinc/46/69/51/357466951.db2.gz LHBDIITWINSJEL-JTQLQIEISA-N 2 2 279.344 0.055 20 0 CCADLP CNC(=O)NC(=O)C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000376426411 357466953 /nfs/dbraw/zinc/46/69/53/357466953.db2.gz LHBDIITWINSJEL-JTQLQIEISA-N 2 2 279.344 0.055 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C[NH2+]CC3CC3)C2)CC1 ZINC000377195175 357550590 /nfs/dbraw/zinc/55/05/90/357550590.db2.gz DJGGRWWUDBNALF-CQSZACIVSA-N 3 2 294.443 0.271 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C[NH2+]CC3CC3)C2)CC1 ZINC000377195175 357550599 /nfs/dbraw/zinc/55/05/99/357550599.db2.gz DJGGRWWUDBNALF-CQSZACIVSA-N 3 2 294.443 0.271 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000449604138 236041781 /nfs/dbraw/zinc/04/17/81/236041781.db2.gz SGAGNPMXEZCWCF-OLZOCXBDSA-N 2 2 291.395 0.984 20 0 CCADLP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCS1(=O)=O ZINC000380933230 357706748 /nfs/dbraw/zinc/70/67/48/357706748.db2.gz IOJFLZSKOAANFM-FVCCEPFGSA-N 2 2 272.414 0.778 20 0 CCADLP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCS1(=O)=O ZINC000380933230 357706750 /nfs/dbraw/zinc/70/67/50/357706750.db2.gz IOJFLZSKOAANFM-FVCCEPFGSA-N 2 2 272.414 0.778 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC[C@H]1CCC[NH+]1CCCO ZINC000449387612 236032176 /nfs/dbraw/zinc/03/21/76/236032176.db2.gz MEJSIRMOUBXSGS-BMFZPTHFSA-N 2 2 281.444 0.906 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC[C@H]1CCC[NH+]1CCCO ZINC000449387612 236032179 /nfs/dbraw/zinc/03/21/79/236032179.db2.gz MEJSIRMOUBXSGS-BMFZPTHFSA-N 2 2 281.444 0.906 20 0 CCADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC[C@H]1CCC[N@@H+]1CCCO ZINC000449387612 236032181 /nfs/dbraw/zinc/03/21/81/236032181.db2.gz MEJSIRMOUBXSGS-BMFZPTHFSA-N 2 2 281.444 0.906 20 0 CCADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC[C@H]1CCC[N@H+]1CCCO ZINC000449387612 236032184 /nfs/dbraw/zinc/03/21/84/236032184.db2.gz MEJSIRMOUBXSGS-BMFZPTHFSA-N 2 2 281.444 0.906 20 0 CCADLP C[C@H]1C[N@H+](CCO)CCN1c1cc[nH+]c(N(C)C)n1 ZINC000450949850 236123921 /nfs/dbraw/zinc/12/39/21/236123921.db2.gz BMGKRYNCBACHEV-NSHDSACASA-N 2 2 265.361 0.045 20 0 CCADLP C[C@H]1C[N@@H+](CCO)CCN1c1cc[nH+]c(N(C)C)n1 ZINC000450949850 236123922 /nfs/dbraw/zinc/12/39/22/236123922.db2.gz BMGKRYNCBACHEV-NSHDSACASA-N 2 2 265.361 0.045 20 0 CCADLP C[C@H](O)CNc1cc(NCC[N@@H+]2CCCOCC2)nc[nH+]1 ZINC000294375092 199015429 /nfs/dbraw/zinc/01/54/29/199015429.db2.gz LRMNDDXVTZFOQB-LBPRGKRZSA-N 2 2 295.387 0.404 20 0 CCADLP C[C@H](O)CNc1cc(NCC[N@H+]2CCCOCC2)nc[nH+]1 ZINC000294375092 199015431 /nfs/dbraw/zinc/01/54/31/199015431.db2.gz LRMNDDXVTZFOQB-LBPRGKRZSA-N 2 2 295.387 0.404 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@H]2CC(C)(C)OC2(C)C)[C@@H](C[NH3+])C1 ZINC000561185535 291119732 /nfs/dbraw/zinc/11/97/32/291119732.db2.gz HYRZWDNQDNFOFP-RYUDHWBXSA-N 2 2 298.431 0.617 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@H]2CC(C)(C)OC2(C)C)[C@@H](C[NH3+])C1 ZINC000561185535 291119735 /nfs/dbraw/zinc/11/97/35/291119735.db2.gz HYRZWDNQDNFOFP-RYUDHWBXSA-N 2 2 298.431 0.617 20 0 CCADLP C[C@H](C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)[NH+]1CC(C)C1 ZINC000561266740 291124995 /nfs/dbraw/zinc/12/49/95/291124995.db2.gz XJYFQGMAQWEZDJ-DZGCQCFKSA-N 2 2 296.459 0.326 20 0 CCADLP C[C@H](C(=O)NC[C@H](C)CN1CC[NH+](C)CC1)[NH+]1CC(C)C1 ZINC000561266740 291124997 /nfs/dbraw/zinc/12/49/97/291124997.db2.gz XJYFQGMAQWEZDJ-DZGCQCFKSA-N 2 2 296.459 0.326 20 0 CCADLP C[C@H](O)CNc1cc(N(C)CC[NH+]2CCOCC2)nc[nH+]1 ZINC000294566201 199088869 /nfs/dbraw/zinc/08/88/69/199088869.db2.gz XRDDOASLOFNDAS-LBPRGKRZSA-N 2 2 295.387 0.038 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000339067686 283323652 /nfs/dbraw/zinc/32/36/52/283323652.db2.gz CAGNAGVCLWAJDY-ILXRZTDVSA-N 3 2 294.443 0.543 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000339067686 283323656 /nfs/dbraw/zinc/32/36/56/283323656.db2.gz CAGNAGVCLWAJDY-ILXRZTDVSA-N 3 2 294.443 0.543 20 0 CCADLP NC(=O)[C@@H]1CCC[NH+]1CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339067686 283323657 /nfs/dbraw/zinc/32/36/57/283323657.db2.gz CAGNAGVCLWAJDY-ILXRZTDVSA-N 3 2 294.443 0.543 20 0 CCADLP NC(=O)[C@@H]1CCC[NH+]1CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339067686 283323659 /nfs/dbraw/zinc/32/36/59/283323659.db2.gz CAGNAGVCLWAJDY-ILXRZTDVSA-N 3 2 294.443 0.543 20 0 CCADLP C[NH2+]CCC[N@H+](C)Cc1ccnn1CCCOC ZINC000415129957 358124710 /nfs/dbraw/zinc/12/47/10/358124710.db2.gz VTWXXDHMFLMYPE-UHFFFAOYSA-N 2 2 254.378 0.961 20 0 CCADLP C[NH2+]CCC[N@@H+](C)Cc1ccnn1CCCOC ZINC000415129957 358124714 /nfs/dbraw/zinc/12/47/14/358124714.db2.gz VTWXXDHMFLMYPE-UHFFFAOYSA-N 2 2 254.378 0.961 20 0 CCADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000416816453 358128622 /nfs/dbraw/zinc/12/86/22/358128622.db2.gz JCPCANXAJCBUQG-QWHCGFSZSA-N 2 2 298.431 0.489 20 0 CCADLP [NH3+][C@H](C(=O)NC[C@@H]1CCC[NH2+]1)c1c(F)cccc1F ZINC000417783660 358140471 /nfs/dbraw/zinc/14/04/71/358140471.db2.gz NJOOUDJESFHHHY-UFBFGSQYSA-N 2 2 269.295 0.833 20 0 CCADLP C[NH2+]CCC[N@H+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000420363013 358180430 /nfs/dbraw/zinc/18/04/30/358180430.db2.gz OQQGDAWDCOABBH-NSHDSACASA-N 2 2 285.413 0.936 20 0 CCADLP C[NH2+]CCC[N@@H+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000420363013 358180431 /nfs/dbraw/zinc/18/04/31/358180431.db2.gz OQQGDAWDCOABBH-NSHDSACASA-N 2 2 285.413 0.936 20 0 CCADLP C[C@H]([NH3+])C[NH2+][C@H](CN1CCOCC1)c1ccccc1 ZINC000420374105 358180759 /nfs/dbraw/zinc/18/07/59/358180759.db2.gz NFWNQYKGVUUUBP-DZGCQCFKSA-N 2 2 263.385 0.997 20 0 CCADLP C[C@H](CN[C@@H]1C[NH2+]CC[C@H]1C)C[NH+]1CCOCC1 ZINC000422764842 358192707 /nfs/dbraw/zinc/19/27/07/358192707.db2.gz OPJCPNJVGFNGCD-MGPQQGTHSA-N 2 2 255.406 0.542 20 0 CCADLP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000422978229 358195394 /nfs/dbraw/zinc/19/53/94/358195394.db2.gz YUOQTJZDICDYFF-RBSFLKMASA-N 3 2 269.433 0.811 20 0 CCADLP C[N@@H+]1CC[C@@H]2OCCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC000329188026 202223399 /nfs/dbraw/zinc/22/33/99/202223399.db2.gz PGESUUKBOWXEFP-NEPJUHHUSA-N 2 2 278.356 0.274 20 0 CCADLP C[N@H+]1CC[C@@H]2OCCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC000329188026 202223402 /nfs/dbraw/zinc/22/34/02/202223402.db2.gz PGESUUKBOWXEFP-NEPJUHHUSA-N 2 2 278.356 0.274 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N(C)CC(F)(F)F ZINC000442781358 358242170 /nfs/dbraw/zinc/24/21/70/358242170.db2.gz PIYFVELNNCSAAM-RKDXNWHRSA-N 2 2 267.295 0.676 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N(C)CC(F)(F)F ZINC000442781358 358242171 /nfs/dbraw/zinc/24/21/71/358242171.db2.gz PIYFVELNNCSAAM-RKDXNWHRSA-N 2 2 267.295 0.676 20 0 CCADLP COc1cc([C@H](C)[NH2+]C[C@H](O)C[NH+](C)C)ccn1 ZINC000562376364 291148278 /nfs/dbraw/zinc/14/82/78/291148278.db2.gz QYWLNGZDCNUWJI-JQWIXIFHSA-N 2 2 253.346 0.663 20 0 CCADLP COc1ccc(CC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cn1 ZINC000530221280 358380588 /nfs/dbraw/zinc/38/05/88/358380588.db2.gz OTKJQLDYWBTLHG-ZBFHGGJFSA-N 2 2 291.395 0.989 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000337272724 283372995 /nfs/dbraw/zinc/37/29/95/283372995.db2.gz OQSVBQQDTRMORQ-UHFFFAOYSA-N 2 2 284.404 0.640 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337272724 283372996 /nfs/dbraw/zinc/37/29/96/283372996.db2.gz OQSVBQQDTRMORQ-UHFFFAOYSA-N 2 2 284.404 0.640 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)C1 ZINC000567902324 358610032 /nfs/dbraw/zinc/61/00/32/358610032.db2.gz RSZGSBOPSXERMD-MELADBBJSA-N 2 2 282.432 0.208 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000562496611 291155777 /nfs/dbraw/zinc/15/57/77/291155777.db2.gz UVNWVRYOSUXDKZ-ZYHUDNBSSA-N 2 2 262.357 0.941 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC000562496611 291155778 /nfs/dbraw/zinc/15/57/78/291155778.db2.gz UVNWVRYOSUXDKZ-ZYHUDNBSSA-N 2 2 262.357 0.941 20 0 CCADLP C[C@@H]1[NH2+]CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)[C@H]1C ZINC000567915698 358614047 /nfs/dbraw/zinc/61/40/47/358614047.db2.gz DPEGMIXPIJDMOX-DCAQKATOSA-N 2 2 277.372 0.309 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000568051082 358629153 /nfs/dbraw/zinc/62/91/53/358629153.db2.gz WJASUPAXIZLCNK-KGLIPLIRSA-N 3 2 255.406 0.375 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000568051082 358629156 /nfs/dbraw/zinc/62/91/56/358629156.db2.gz WJASUPAXIZLCNK-KGLIPLIRSA-N 3 2 255.406 0.375 20 0 CCADLP CCn1nnc(C)c1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000568238841 358655018 /nfs/dbraw/zinc/65/50/18/358655018.db2.gz DSIXOQSKGVLXHN-UHFFFAOYSA-N 2 2 281.404 0.543 20 0 CCADLP CC(C)(C)C(=O)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000569364522 358758246 /nfs/dbraw/zinc/75/82/46/358758246.db2.gz DBZLYRMMHWBFOH-UHFFFAOYSA-N 2 2 282.432 0.082 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](c3cccnc3)C2)CC1 ZINC000568877428 358713033 /nfs/dbraw/zinc/71/30/33/358713033.db2.gz FTGVDGNZQWBEFV-OAHLLOKOSA-N 2 2 288.395 0.645 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](c3cccnc3)C2)CC1 ZINC000568877428 358713039 /nfs/dbraw/zinc/71/30/39/358713039.db2.gz FTGVDGNZQWBEFV-OAHLLOKOSA-N 2 2 288.395 0.645 20 0 CCADLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000570095087 358822234 /nfs/dbraw/zinc/82/22/34/358822234.db2.gz OLMXDHLTNPQFPS-QWRGUYRKSA-N 2 2 289.383 0.803 20 0 CCADLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000570095087 358822236 /nfs/dbraw/zinc/82/22/36/358822236.db2.gz OLMXDHLTNPQFPS-QWRGUYRKSA-N 2 2 289.383 0.803 20 0 CCADLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000570095087 358822239 /nfs/dbraw/zinc/82/22/39/358822239.db2.gz OLMXDHLTNPQFPS-QWRGUYRKSA-N 2 2 289.383 0.803 20 0 CCADLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000570095087 358822242 /nfs/dbraw/zinc/82/22/42/358822242.db2.gz OLMXDHLTNPQFPS-QWRGUYRKSA-N 2 2 289.383 0.803 20 0 CCADLP CCc1nc(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cs1 ZINC000569691496 358784708 /nfs/dbraw/zinc/78/47/08/358784708.db2.gz MJQBDZOWYNJBEA-NSHDSACASA-N 2 2 282.413 0.349 20 0 CCADLP CCc1nc(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cs1 ZINC000569691496 358784713 /nfs/dbraw/zinc/78/47/13/358784713.db2.gz MJQBDZOWYNJBEA-NSHDSACASA-N 2 2 282.413 0.349 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000570526852 358866994 /nfs/dbraw/zinc/86/69/94/358866994.db2.gz CTMBLBOMBBBDPV-QWHCGFSZSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000570526852 358866998 /nfs/dbraw/zinc/86/69/98/358866998.db2.gz CTMBLBOMBBBDPV-QWHCGFSZSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](CNC(=O)[C@H]([NH3+])C1CCC1)Cn1cc[nH+]c1 ZINC000570164728 358829593 /nfs/dbraw/zinc/82/95/93/358829593.db2.gz ILMJPVOIKPPFHQ-CMPLNLGQSA-N 2 2 250.346 0.763 20 0 CCADLP CC1(C)NC(=O)CC[C@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000570229443 358836710 /nfs/dbraw/zinc/83/67/10/358836710.db2.gz SYXUOJQLVPATQJ-GHMZBOCLSA-N 2 2 262.357 0.845 20 0 CCADLP Cc1cc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)nc(C(C)C)[nH+]1 ZINC000570225797 358836805 /nfs/dbraw/zinc/83/68/05/358836805.db2.gz CCNZLFSDAKFXSS-NWDGAFQWSA-N 2 2 289.383 0.657 20 0 CCADLP CCc1nnc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)[nH]1 ZINC000570281039 358841014 /nfs/dbraw/zinc/84/10/14/358841014.db2.gz RMOCKUSYUOOXCP-UTUOFQBUSA-N 2 2 279.388 0.614 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2CCCOC2)C[C@H](C)O1 ZINC000570325492 358845446 /nfs/dbraw/zinc/84/54/46/358845446.db2.gz MVRBHBIEAGSKHO-XJFOESAGSA-N 2 2 272.389 0.225 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2CCCOC2)C[C@H](C)O1 ZINC000570325492 358845447 /nfs/dbraw/zinc/84/54/47/358845447.db2.gz MVRBHBIEAGSKHO-XJFOESAGSA-N 2 2 272.389 0.225 20 0 CCADLP CC[C@H](O)C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000570803063 358896068 /nfs/dbraw/zinc/89/60/68/358896068.db2.gz DQFQILCOYUPMGS-JKSUJKDBSA-N 2 2 278.396 0.766 20 0 CCADLP CC[C@H](O)C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000570803063 358896072 /nfs/dbraw/zinc/89/60/72/358896072.db2.gz DQFQILCOYUPMGS-JKSUJKDBSA-N 2 2 278.396 0.766 20 0 CCADLP Cc1cc(CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])cc(C)[nH+]1 ZINC000573354936 358960312 /nfs/dbraw/zinc/96/03/12/358960312.db2.gz CFVLTLLVALVKQL-AWEZNQCLSA-N 2 2 291.399 0.483 20 0 CCADLP Cc1cc(NC(=O)NC[C@@H]2C[NH2+]CCO2)c(C)c[nH+]1 ZINC000562754968 291166193 /nfs/dbraw/zinc/16/61/93/291166193.db2.gz GBTBWDJNKCVUIQ-NSHDSACASA-N 2 2 264.329 0.230 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](CO)c1ccccc1 ZINC000573502918 358973984 /nfs/dbraw/zinc/97/39/84/358973984.db2.gz IPAVMWLDPIKRAB-GJZGRUSLSA-N 2 2 266.385 0.964 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](CO)c1ccccc1 ZINC000573502918 358973985 /nfs/dbraw/zinc/97/39/85/358973985.db2.gz IPAVMWLDPIKRAB-GJZGRUSLSA-N 2 2 266.385 0.964 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](CO)c1ccccc1 ZINC000573502918 358973988 /nfs/dbraw/zinc/97/39/88/358973988.db2.gz IPAVMWLDPIKRAB-GJZGRUSLSA-N 2 2 266.385 0.964 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](CO)c1ccccc1 ZINC000573502918 358973989 /nfs/dbraw/zinc/97/39/89/358973989.db2.gz IPAVMWLDPIKRAB-GJZGRUSLSA-N 2 2 266.385 0.964 20 0 CCADLP CC(C)C[C@@H](C)OCCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000573245914 358951570 /nfs/dbraw/zinc/95/15/70/358951570.db2.gz CKYAQUTUXBUOID-ZIAGYGMSSA-N 2 2 285.432 0.929 20 0 CCADLP CC(C)C[C@@H](C)OCCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000573245914 358951574 /nfs/dbraw/zinc/95/15/74/358951574.db2.gz CKYAQUTUXBUOID-ZIAGYGMSSA-N 2 2 285.432 0.929 20 0 CCADLP CC(C)([NH3+])CNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000573246181 358951619 /nfs/dbraw/zinc/95/16/19/358951619.db2.gz YGNMFSSQIUFWKA-UHFFFAOYSA-N 2 2 263.332 0.817 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2nnnn2C2CC2)C1 ZINC000573343022 358959236 /nfs/dbraw/zinc/95/92/36/358959236.db2.gz AIZNGKOJBVIMCO-JTQLQIEISA-N 2 2 273.344 0.731 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2nnnn2C2CC2)C1 ZINC000573343022 358959238 /nfs/dbraw/zinc/95/92/38/358959238.db2.gz AIZNGKOJBVIMCO-JTQLQIEISA-N 2 2 273.344 0.731 20 0 CCADLP C[C@@H](CC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)n1cc[nH+]c1 ZINC000574162461 359034400 /nfs/dbraw/zinc/03/44/00/359034400.db2.gz KJEPETGCASIRMC-RWMBFGLXSA-N 2 2 262.357 0.997 20 0 CCADLP C[C@@H](CC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)n1cc[nH+]c1 ZINC000574162461 359034403 /nfs/dbraw/zinc/03/44/03/359034403.db2.gz KJEPETGCASIRMC-RWMBFGLXSA-N 2 2 262.357 0.997 20 0 CCADLP Cc1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ccc1F ZINC000573578006 358981114 /nfs/dbraw/zinc/98/11/14/358981114.db2.gz AOUXZPYEERTYKT-TZMCWYRMSA-N 2 2 277.343 0.878 20 0 CCADLP Cc1cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ccc1F ZINC000573578006 358981117 /nfs/dbraw/zinc/98/11/17/358981117.db2.gz AOUXZPYEERTYKT-TZMCWYRMSA-N 2 2 277.343 0.878 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000573625673 358985694 /nfs/dbraw/zinc/98/56/94/358985694.db2.gz ANVVXKZKZAKDFD-MWLCHTKSSA-N 2 2 251.334 0.549 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000573625673 358985696 /nfs/dbraw/zinc/98/56/96/358985696.db2.gz ANVVXKZKZAKDFD-MWLCHTKSSA-N 2 2 251.334 0.549 20 0 CCADLP OCC1([NH2+]CC2CC2)CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000573807291 359001660 /nfs/dbraw/zinc/00/16/60/359001660.db2.gz XMAUSSVSMKQAFS-UHFFFAOYSA-N 2 2 264.373 0.736 20 0 CCADLP OCC1([NH2+]CC2CC2)CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000573807291 359001663 /nfs/dbraw/zinc/00/16/63/359001663.db2.gz XMAUSSVSMKQAFS-UHFFFAOYSA-N 2 2 264.373 0.736 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)OC2(CCC2)C1 ZINC000580343736 359082191 /nfs/dbraw/zinc/08/21/91/359082191.db2.gz XAKZZLPSVGKQQL-KGLIPLIRSA-N 2 2 286.416 0.569 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)OC2(CCC2)C1 ZINC000580343736 359082196 /nfs/dbraw/zinc/08/21/96/359082196.db2.gz XAKZZLPSVGKQQL-KGLIPLIRSA-N 2 2 286.416 0.569 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000580343736 359082208 /nfs/dbraw/zinc/08/22/08/359082208.db2.gz XAKZZLPSVGKQQL-KGLIPLIRSA-N 2 2 286.416 0.569 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000580763486 359090402 /nfs/dbraw/zinc/09/04/02/359090402.db2.gz IZXDKKQJFCPTKQ-UPJWGTAASA-N 2 2 284.404 0.004 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000580763486 359090407 /nfs/dbraw/zinc/09/04/07/359090407.db2.gz IZXDKKQJFCPTKQ-UPJWGTAASA-N 2 2 284.404 0.004 20 0 CCADLP Cc1nc(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(C)s1 ZINC000580776577 359092944 /nfs/dbraw/zinc/09/29/44/359092944.db2.gz WOIBNLCTMVUOTN-NSHDSACASA-N 2 2 282.413 0.404 20 0 CCADLP COCC[NH2+]C1CC[NH+](CCOCC(F)F)CC1 ZINC000580778243 359094197 /nfs/dbraw/zinc/09/41/97/359094197.db2.gz HGQAIIPJVAABKC-UHFFFAOYSA-N 2 2 266.332 0.969 20 0 CCADLP CCC[C@H]1C[NH2+]CCN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000582290737 359129228 /nfs/dbraw/zinc/12/92/28/359129228.db2.gz ALDNIKQOFKTLHZ-STQMWFEESA-N 2 2 291.399 0.981 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000584847541 359218521 /nfs/dbraw/zinc/21/85/21/359218521.db2.gz QODOQQKYJPKLCT-BFHYXJOUSA-N 2 2 297.399 0.622 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000584847541 359218527 /nfs/dbraw/zinc/21/85/27/359218527.db2.gz QODOQQKYJPKLCT-BFHYXJOUSA-N 2 2 297.399 0.622 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1nnc(C(C)(C)C)[nH]1 ZINC000562956833 291174863 /nfs/dbraw/zinc/17/48/63/291174863.db2.gz OHMTWYPXGYCIHZ-QWRGUYRKSA-N 2 2 281.404 0.959 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000591458628 359595385 /nfs/dbraw/zinc/59/53/85/359595385.db2.gz RWMRSLXKZDUTKQ-LBPRGKRZSA-N 2 2 269.389 0.165 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000591458628 359595386 /nfs/dbraw/zinc/59/53/86/359595386.db2.gz RWMRSLXKZDUTKQ-LBPRGKRZSA-N 2 2 269.389 0.165 20 0 CCADLP C[NH+]1CC[C@H](C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000591458628 359595388 /nfs/dbraw/zinc/59/53/88/359595388.db2.gz RWMRSLXKZDUTKQ-LBPRGKRZSA-N 2 2 269.389 0.165 20 0 CCADLP C[NH+]1CC[C@H](C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000591458628 359595390 /nfs/dbraw/zinc/59/53/90/359595390.db2.gz RWMRSLXKZDUTKQ-LBPRGKRZSA-N 2 2 269.389 0.165 20 0 CCADLP CS(=O)(=O)CCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591869057 359670104 /nfs/dbraw/zinc/67/01/04/359670104.db2.gz HMXSQIKRVFHGKL-GFCCVEGCSA-N 2 2 271.386 0.955 20 0 CCADLP CS(=O)(=O)CCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591869057 359670107 /nfs/dbraw/zinc/67/01/07/359670107.db2.gz HMXSQIKRVFHGKL-GFCCVEGCSA-N 2 2 271.386 0.955 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471229 359849930 /nfs/dbraw/zinc/84/99/30/359849930.db2.gz NTMHGTPGJPVFPI-JTQLQIEISA-N 2 2 282.388 0.437 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471229 359849933 /nfs/dbraw/zinc/84/99/33/359849933.db2.gz NTMHGTPGJPVFPI-JTQLQIEISA-N 2 2 282.388 0.437 20 0 CCADLP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592479402 359851050 /nfs/dbraw/zinc/85/10/50/359851050.db2.gz XAZIJTATSVULDY-CHWSQXEVSA-N 2 2 297.399 0.130 20 0 CCADLP COC(=O)CCNC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592479402 359851058 /nfs/dbraw/zinc/85/10/58/359851058.db2.gz XAZIJTATSVULDY-CHWSQXEVSA-N 2 2 297.399 0.130 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[NH2+]1 ZINC000621151584 366652153 /nfs/dbraw/zinc/65/21/53/366652153.db2.gz DNDFTBYPINIOTO-OLZOCXBDSA-N 2 2 276.384 0.902 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)[C@@H](C)C1 ZINC000563254224 291209911 /nfs/dbraw/zinc/20/99/11/291209911.db2.gz LHWOQLSQSUWSMU-IHRRRGAJSA-N 2 2 294.399 0.748 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)[C@@H](C)C1 ZINC000563254224 291209913 /nfs/dbraw/zinc/20/99/13/291209913.db2.gz LHWOQLSQSUWSMU-IHRRRGAJSA-N 2 2 294.399 0.748 20 0 CCADLP CO[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)[C@H](C[NH3+])C1 ZINC000563338130 291214446 /nfs/dbraw/zinc/21/44/46/291214446.db2.gz IRDVHKFIGDYWDF-RWMBFGLXSA-N 2 2 280.372 0.799 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@H]2COCCO2)C1 ZINC000563351300 291215994 /nfs/dbraw/zinc/21/59/94/291215994.db2.gz YMSMQDPFKUJLCD-RYUDHWBXSA-N 2 2 251.330 0.625 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@H]2COCCO2)C1 ZINC000563351300 291215995 /nfs/dbraw/zinc/21/59/95/291215995.db2.gz YMSMQDPFKUJLCD-RYUDHWBXSA-N 2 2 251.330 0.625 20 0 CCADLP COC(=O)[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1CCCCC1 ZINC000593905375 360202006 /nfs/dbraw/zinc/20/20/06/360202006.db2.gz DRIFBLFCFKTJPO-CHWSQXEVSA-N 2 2 299.415 0.504 20 0 CCADLP CCOC(=O)C1CCC(NC(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000593904521 360202294 /nfs/dbraw/zinc/20/22/94/360202294.db2.gz XPDIEWWFHFIDAH-WXRRBKDZSA-N 2 2 299.415 0.504 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3cnc4ccccn34)CCN2C1=O ZINC000594736388 360370151 /nfs/dbraw/zinc/37/01/51/360370151.db2.gz FPVLIZLWOHZHHF-WCQYABFASA-N 2 2 285.351 0.078 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3cnc4ccccn34)CCN2C1=O ZINC000594736388 360370153 /nfs/dbraw/zinc/37/01/53/360370153.db2.gz FPVLIZLWOHZHHF-WCQYABFASA-N 2 2 285.351 0.078 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N(C)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000563406408 291224890 /nfs/dbraw/zinc/22/48/90/291224890.db2.gz IXFCGKRSGYIRAW-CQSZACIVSA-N 2 2 297.443 0.897 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000563406408 291224893 /nfs/dbraw/zinc/22/48/93/291224893.db2.gz IXFCGKRSGYIRAW-CQSZACIVSA-N 2 2 297.443 0.897 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000594946051 360424061 /nfs/dbraw/zinc/42/40/61/360424061.db2.gz MXQBZUSIDACVHO-WRWGMCAJSA-N 2 2 263.341 0.985 20 0 CCADLP COC(=O)CCN1CC[C@H]([N@@H+]2CC[C@H](C[NH+](C)C)C2)C1=O ZINC000595321629 360495241 /nfs/dbraw/zinc/49/52/41/360495241.db2.gz XJJRPYRWGAYHNA-OLZOCXBDSA-N 2 2 297.399 0.034 20 0 CCADLP COC(=O)CCN1CC[C@H]([N@H+]2CC[C@H](C[NH+](C)C)C2)C1=O ZINC000595321629 360495243 /nfs/dbraw/zinc/49/52/43/360495243.db2.gz XJJRPYRWGAYHNA-OLZOCXBDSA-N 2 2 297.399 0.034 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655927552 412702810 /nfs/dbraw/zinc/70/28/10/412702810.db2.gz OKAHFMAFWLSCQK-SECBINFHSA-N 2 2 292.261 0.779 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000563449417 291231150 /nfs/dbraw/zinc/23/11/50/291231150.db2.gz XGIGPWIOBRSZCB-MRVPVSSYSA-N 2 2 279.266 0.831 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000563449417 291231152 /nfs/dbraw/zinc/23/11/52/291231152.db2.gz XGIGPWIOBRSZCB-MRVPVSSYSA-N 2 2 279.266 0.831 20 0 CCADLP CN1CCN(C(=O)Nc2ccc3[nH+]ccn3c2)[C@H](C[NH3+])C1 ZINC000563456835 291231741 /nfs/dbraw/zinc/23/17/41/291231741.db2.gz LFMDPCBIXOWCJI-GFCCVEGCSA-N 2 2 288.355 0.441 20 0 CCADLP CCOC(=O)[C@]1(C(C)C)CC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000595890973 360692490 /nfs/dbraw/zinc/69/24/90/360692490.db2.gz GUTIWADBUPKLNM-UKRRQHHQSA-N 2 2 284.400 0.886 20 0 CCADLP CCOC(=O)[C@]1(C(C)C)CC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000595890973 360692495 /nfs/dbraw/zinc/69/24/95/360692495.db2.gz GUTIWADBUPKLNM-UKRRQHHQSA-N 2 2 284.400 0.886 20 0 CCADLP C[C@@H]1C[NH2+]CCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000178499277 189121458 /nfs/dbraw/zinc/12/14/58/189121458.db2.gz QAHWVPFYZPESLZ-LLVKDONJSA-N 2 2 271.324 0.701 20 0 CCADLP CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000595950646 360728673 /nfs/dbraw/zinc/72/86/73/360728673.db2.gz VOIQUQYZFRKSMU-TYNCELHUSA-N 2 2 299.415 0.504 20 0 CCADLP CSCC1(CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000595940695 360716605 /nfs/dbraw/zinc/71/66/05/360716605.db2.gz UFNCVBZLJAQEPH-NSHDSACASA-N 2 2 273.446 0.915 20 0 CCADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000178886997 189152435 /nfs/dbraw/zinc/15/24/35/189152435.db2.gz GMWSZCIBZJEXHN-SNVBAGLBSA-N 2 2 279.388 0.028 20 0 CCADLP CSC[C@@H](C)NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000596326883 360880889 /nfs/dbraw/zinc/88/08/89/360880889.db2.gz BLDATPRWSHHBGW-GFCCVEGCSA-N 2 2 290.477 0.921 20 0 CCADLP CSC[C@@H](C)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000596326883 360880894 /nfs/dbraw/zinc/88/08/94/360880894.db2.gz BLDATPRWSHHBGW-GFCCVEGCSA-N 2 2 290.477 0.921 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493666582 238289219 /nfs/dbraw/zinc/28/92/19/238289219.db2.gz WCTRCARHKKNICS-AAOUONPWSA-N 2 2 277.372 0.175 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+]C2([C@H](C)O)CC2)CC1 ZINC000597234185 361038339 /nfs/dbraw/zinc/03/83/39/361038339.db2.gz HUPHIRJAZBKANQ-LBPRGKRZSA-N 2 2 284.400 0.907 20 0 CCADLP C[C@@H]1CC[N@H+](CCNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000611750132 363774995 /nfs/dbraw/zinc/77/49/95/363774995.db2.gz ODZMNFWRTCKWAM-NEPJUHHUSA-N 2 2 276.384 0.973 20 0 CCADLP C[C@@H]1CC[N@@H+](CCNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000611750132 363775006 /nfs/dbraw/zinc/77/50/06/363775006.db2.gz ODZMNFWRTCKWAM-NEPJUHHUSA-N 2 2 276.384 0.973 20 0 CCADLP C[C@@H]1CC[N@H+](CCNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000611750132 363775011 /nfs/dbraw/zinc/77/50/11/363775011.db2.gz ODZMNFWRTCKWAM-NEPJUHHUSA-N 2 2 276.384 0.973 20 0 CCADLP C[C@@H]1CC[N@@H+](CCNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000611750132 363775016 /nfs/dbraw/zinc/77/50/16/363775016.db2.gz ODZMNFWRTCKWAM-NEPJUHHUSA-N 2 2 276.384 0.973 20 0 CCADLP CC[N@H+](C)C[C@@H](O)CN1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000564220039 291270997 /nfs/dbraw/zinc/27/09/97/291270997.db2.gz GBORZKIXGKRKJK-OAHLLOKOSA-N 2 2 292.427 0.825 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)CN1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000564220039 291270998 /nfs/dbraw/zinc/27/09/98/291270998.db2.gz GBORZKIXGKRKJK-OAHLLOKOSA-N 2 2 292.427 0.825 20 0 CCADLP Cc1ccccc1COCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000621624542 366810901 /nfs/dbraw/zinc/81/09/01/366810901.db2.gz NIRDEFCNZGOGGD-OAHLLOKOSA-N 2 2 291.395 0.613 20 0 CCADLP Cc1ccccc1COCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000621624542 366810903 /nfs/dbraw/zinc/81/09/03/366810903.db2.gz NIRDEFCNZGOGGD-OAHLLOKOSA-N 2 2 291.395 0.613 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O)C1CC1 ZINC000564390275 291278075 /nfs/dbraw/zinc/27/80/75/291278075.db2.gz KWVWMAFIOGMFOD-PYJNHQTQSA-N 2 2 281.400 0.027 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O)C1CC1 ZINC000564390275 291278077 /nfs/dbraw/zinc/27/80/77/291278077.db2.gz KWVWMAFIOGMFOD-PYJNHQTQSA-N 2 2 281.400 0.027 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O)C1CC1 ZINC000564390275 291278079 /nfs/dbraw/zinc/27/80/79/291278079.db2.gz KWVWMAFIOGMFOD-PYJNHQTQSA-N 2 2 281.400 0.027 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O)C1CC1 ZINC000564390275 291278081 /nfs/dbraw/zinc/27/80/81/291278081.db2.gz KWVWMAFIOGMFOD-PYJNHQTQSA-N 2 2 281.400 0.027 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]Cc2cccn2C)C[C@H](C)O1 ZINC000564444937 291279329 /nfs/dbraw/zinc/27/93/29/291279329.db2.gz VYMMYXBSDVNWPA-GUTXKFCHSA-N 2 2 281.400 0.585 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]Cc2cccn2C)C[C@H](C)O1 ZINC000564444937 291279330 /nfs/dbraw/zinc/27/93/30/291279330.db2.gz VYMMYXBSDVNWPA-GUTXKFCHSA-N 2 2 281.400 0.585 20 0 CCADLP CC[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])[C@@H]1CCCCO1 ZINC000655976041 412723042 /nfs/dbraw/zinc/72/30/42/412723042.db2.gz XYMMYOWMRQNYMA-RDBSUJKOSA-N 2 2 298.431 0.618 20 0 CCADLP CC[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])[C@@H]1CCCCO1 ZINC000655976041 412723046 /nfs/dbraw/zinc/72/30/46/412723046.db2.gz XYMMYOWMRQNYMA-RDBSUJKOSA-N 2 2 298.431 0.618 20 0 CCADLP C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000362726063 296044241 /nfs/dbraw/zinc/04/42/41/296044241.db2.gz TYGOSIBCTUWHPH-ZIAGYGMSSA-N 2 2 297.443 0.944 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000599337920 361659663 /nfs/dbraw/zinc/65/96/63/361659663.db2.gz MDXOGAICLNKVNN-LBPRGKRZSA-N 2 2 269.345 0.519 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000599337920 361659666 /nfs/dbraw/zinc/65/96/66/361659666.db2.gz MDXOGAICLNKVNN-LBPRGKRZSA-N 2 2 269.345 0.519 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000564639943 291289791 /nfs/dbraw/zinc/28/97/91/291289791.db2.gz FJKVKABVFCMEJZ-ZDUSSCGKSA-N 2 2 278.356 0.064 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612908866 364041709 /nfs/dbraw/zinc/04/17/09/364041709.db2.gz JMOLCBTUCQWBDZ-ZDUSSCGKSA-N 2 2 264.329 0.641 20 0 CCADLP [NH3+]CC1(O)CCN(C(=O)[C@@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000564796972 291301319 /nfs/dbraw/zinc/30/13/19/291301319.db2.gz MATLYLYWWNDFNR-LBPRGKRZSA-N 2 2 299.321 0.277 20 0 CCADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCCN1C(=O)NC(C)(C)C1=O ZINC000631859244 370720961 /nfs/dbraw/zinc/72/09/61/370720961.db2.gz LKYHSBGISLNDFN-VHSXEESVSA-N 2 2 268.361 0.128 20 0 CCADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCCN1C(=O)NC(C)(C)C1=O ZINC000631859244 370720964 /nfs/dbraw/zinc/72/09/64/370720964.db2.gz LKYHSBGISLNDFN-VHSXEESVSA-N 2 2 268.361 0.128 20 0 CCADLP CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631863842 370724655 /nfs/dbraw/zinc/72/46/55/370724655.db2.gz GNHVULIDCNDRKP-CHWSQXEVSA-N 2 2 285.432 0.726 20 0 CCADLP CC(C)N1CCC[C@H]([NH+]2CCC([NH2+]CCO)CC2)C1=O ZINC000631863966 370724904 /nfs/dbraw/zinc/72/49/04/370724904.db2.gz GQPPIWLTNFRLCR-AWEZNQCLSA-N 2 2 283.416 0.432 20 0 CCADLP CC(C)(C)n1nnc(CC[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)n1 ZINC000631866912 370727236 /nfs/dbraw/zinc/72/72/36/370727236.db2.gz CMRNJZBAZJMUFZ-RISCZKNCSA-N 2 2 278.404 0.702 20 0 CCADLP CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631888383 370738591 /nfs/dbraw/zinc/73/85/91/370738591.db2.gz YMZBUTLEOVBEOO-YNEHKIRRSA-N 2 2 253.390 0.975 20 0 CCADLP CC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631888383 370738595 /nfs/dbraw/zinc/73/85/95/370738595.db2.gz YMZBUTLEOVBEOO-YNEHKIRRSA-N 2 2 253.390 0.975 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631891243 370739828 /nfs/dbraw/zinc/73/98/28/370739828.db2.gz ZSIQHWAKLWHBND-UONOGXRCSA-N 2 2 253.390 0.393 20 0 CCADLP C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)N1CCOCC1 ZINC000631891243 370739835 /nfs/dbraw/zinc/73/98/35/370739835.db2.gz ZSIQHWAKLWHBND-UONOGXRCSA-N 2 2 253.390 0.393 20 0 CCADLP C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)N1CCOCC1 ZINC000631891243 370739842 /nfs/dbraw/zinc/73/98/42/370739842.db2.gz ZSIQHWAKLWHBND-UONOGXRCSA-N 2 2 253.390 0.393 20 0 CCADLP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)N1CCCC1 ZINC000631891294 370741390 /nfs/dbraw/zinc/74/13/90/370741390.db2.gz XEDVYDYGKGLRAW-QWHCGFSZSA-N 2 2 251.374 0.683 20 0 CCADLP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)N1CCCC1 ZINC000631891294 370741393 /nfs/dbraw/zinc/74/13/93/370741393.db2.gz XEDVYDYGKGLRAW-QWHCGFSZSA-N 2 2 251.374 0.683 20 0 CCADLP C[C@@H](CNC[C@H](O)C[NH+]1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000564845759 291306279 /nfs/dbraw/zinc/30/62/79/291306279.db2.gz WZQSQUQBVNFPHZ-PMPSAXMXSA-N 2 2 299.459 0.390 20 0 CCADLP C[C@@H](CNC[C@H](O)C[NH+]1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000564845759 291306281 /nfs/dbraw/zinc/30/62/81/291306281.db2.gz WZQSQUQBVNFPHZ-PMPSAXMXSA-N 2 2 299.459 0.390 20 0 CCADLP Cc1cc(CNS(=O)(=O)C[C@@H]2C[NH2+]CCO2)cc(C)[nH+]1 ZINC000631945818 370779944 /nfs/dbraw/zinc/77/99/44/370779944.db2.gz KGZHGCVPNYKLPH-ZDUSSCGKSA-N 2 2 299.396 0.106 20 0 CCADLP CC1(C)NC(=O)N(CC[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C1=O ZINC000621780463 366864457 /nfs/dbraw/zinc/86/44/57/366864457.db2.gz RQTRDCLJBMBOOW-QMTHXVAHSA-N 2 2 280.372 0.130 20 0 CCADLP CC1(C)NC(=O)N(CC[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C1=O ZINC000621780463 366864465 /nfs/dbraw/zinc/86/44/65/366864465.db2.gz RQTRDCLJBMBOOW-QMTHXVAHSA-N 2 2 280.372 0.130 20 0 CCADLP CC(=O)N1CC[C@@H]([NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)C1 ZINC000621742267 366858429 /nfs/dbraw/zinc/85/84/29/366858429.db2.gz LGVYJAKPPLOHQR-MPKXVKKWSA-N 2 2 251.374 0.680 20 0 CCADLP CC(=O)N1CC[C@@H]([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C1 ZINC000621742267 366858433 /nfs/dbraw/zinc/85/84/33/366858433.db2.gz LGVYJAKPPLOHQR-MPKXVKKWSA-N 2 2 251.374 0.680 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCOC[C@H]1[C@H]1CCC[N@H+]1C ZINC000615268463 364898969 /nfs/dbraw/zinc/89/89/69/364898969.db2.gz HJVWKGNJRZRDEU-KGLIPLIRSA-N 2 2 292.383 0.582 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCOC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000615268463 364898978 /nfs/dbraw/zinc/89/89/78/364898978.db2.gz HJVWKGNJRZRDEU-KGLIPLIRSA-N 2 2 292.383 0.582 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000564988557 291332321 /nfs/dbraw/zinc/33/23/21/291332321.db2.gz VYPPBPFHVJTSDA-PMPSAXMXSA-N 3 2 277.412 0.459 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000564988557 291332322 /nfs/dbraw/zinc/33/23/22/291332322.db2.gz VYPPBPFHVJTSDA-PMPSAXMXSA-N 3 2 277.412 0.459 20 0 CCADLP Cc1nc(N)c(CNC(=O)CCCC[NH+](C)C)c[nH+]1 ZINC000565023941 291336968 /nfs/dbraw/zinc/33/69/68/291336968.db2.gz HIYSKFBVEBWIBG-UHFFFAOYSA-N 2 2 265.361 0.546 20 0 CCADLP C[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC000615549607 365003392 /nfs/dbraw/zinc/00/33/92/365003392.db2.gz XBTOFSZSQABDOG-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000615535757 364994398 /nfs/dbraw/zinc/99/43/98/364994398.db2.gz PFELZIZLWFAUAA-LSDHHAIUSA-N 2 2 295.427 0.651 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000615535757 364994403 /nfs/dbraw/zinc/99/44/03/364994403.db2.gz PFELZIZLWFAUAA-LSDHHAIUSA-N 2 2 295.427 0.651 20 0 CCADLP COC(=O)N1CCC(C[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)CC1 ZINC000496686346 240320427 /nfs/dbraw/zinc/32/04/27/240320427.db2.gz RJLYICIPLNJRJK-JSGCOSHPSA-N 2 2 299.415 0.821 20 0 CCADLP CSC[C@@H](O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000275343649 193005743 /nfs/dbraw/zinc/00/57/43/193005743.db2.gz FISOTBXDQAZXCC-NSHDSACASA-N 2 2 270.402 0.266 20 0 CCADLP CC(C)C[C@H]1C(=O)NCC[N@H+]1CCn1cc[nH+]c1 ZINC000275535802 193070463 /nfs/dbraw/zinc/07/04/63/193070463.db2.gz XVQBTKWGVYITRH-LBPRGKRZSA-N 2 2 250.346 0.730 20 0 CCADLP CC(C)C[C@H]1C(=O)NCC[N@@H+]1CCn1cc[nH+]c1 ZINC000275535802 193070464 /nfs/dbraw/zinc/07/04/64/193070464.db2.gz XVQBTKWGVYITRH-LBPRGKRZSA-N 2 2 250.346 0.730 20 0 CCADLP Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C(C)(C)CO ZINC000616868595 365466395 /nfs/dbraw/zinc/46/63/95/365466395.db2.gz QRIHQHDTEYJBAW-RYUDHWBXSA-N 2 2 294.399 0.690 20 0 CCADLP Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C(C)(C)CO ZINC000616868595 365466399 /nfs/dbraw/zinc/46/63/99/365466399.db2.gz QRIHQHDTEYJBAW-RYUDHWBXSA-N 2 2 294.399 0.690 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC[C@@H]2CC2(F)F)[C@@H](C[NH3+])C1 ZINC000621851280 366894624 /nfs/dbraw/zinc/89/46/24/366894624.db2.gz PYFVMPIWPOIFMB-ZJUUUORDSA-N 2 2 276.331 0.316 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC[C@@H]2CC2(F)F)[C@@H](C[NH3+])C1 ZINC000621851280 366894630 /nfs/dbraw/zinc/89/46/30/366894630.db2.gz PYFVMPIWPOIFMB-ZJUUUORDSA-N 2 2 276.331 0.316 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621852975 366895628 /nfs/dbraw/zinc/89/56/28/366895628.db2.gz OMJDCOQRZMRYTF-LBPRGKRZSA-N 2 2 294.399 0.914 20 0 CCADLP COCC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621852975 366895635 /nfs/dbraw/zinc/89/56/35/366895635.db2.gz OMJDCOQRZMRYTF-LBPRGKRZSA-N 2 2 294.399 0.914 20 0 CCADLP COCC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000621852975 366895648 /nfs/dbraw/zinc/89/56/48/366895648.db2.gz OMJDCOQRZMRYTF-LBPRGKRZSA-N 2 2 294.399 0.914 20 0 CCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)c1conc1C(C)(C)[NH3+] ZINC000565212718 291360799 /nfs/dbraw/zinc/36/07/99/291360799.db2.gz CMBHICKVXBIXQJ-SECBINFHSA-N 2 2 266.345 0.645 20 0 CCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)c1conc1C(C)(C)[NH3+] ZINC000565212718 291360800 /nfs/dbraw/zinc/36/08/00/291360800.db2.gz CMBHICKVXBIXQJ-SECBINFHSA-N 2 2 266.345 0.645 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)Cn1cc[nH+]c1C ZINC000565206751 291359240 /nfs/dbraw/zinc/35/92/40/291359240.db2.gz XQKRRZIUHYGIRW-UHFFFAOYSA-N 2 2 261.329 0.903 20 0 CCADLP Cc1nc2[nH]ccc2c(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)[nH+]1 ZINC000565232596 291364694 /nfs/dbraw/zinc/36/46/94/291364694.db2.gz KYEQXLUPEANNTO-ONGXEEELSA-N 2 2 286.339 0.015 20 0 CCADLP Cc1nc2[nH]ccc2c(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)[nH+]1 ZINC000565232594 291364583 /nfs/dbraw/zinc/36/45/83/291364583.db2.gz KYEQXLUPEANNTO-KOLCDFICSA-N 2 2 286.339 0.015 20 0 CCADLP CO[C@H](C)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000182237945 294272595 /nfs/dbraw/zinc/27/25/95/294272595.db2.gz XRXIAXNIHKFBCX-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CO[C@H](C)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000182237945 294272596 /nfs/dbraw/zinc/27/25/96/294272596.db2.gz XRXIAXNIHKFBCX-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)CCc1[nH]cc[nH+]1 ZINC000622728761 367361694 /nfs/dbraw/zinc/36/16/94/367361694.db2.gz KAVPRBBRXPCONH-NSHDSACASA-N 2 2 250.346 0.895 20 0 CCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)CCc1[nH]cc[nH+]1 ZINC000622728761 367361705 /nfs/dbraw/zinc/36/17/05/367361705.db2.gz KAVPRBBRXPCONH-NSHDSACASA-N 2 2 250.346 0.895 20 0 CCADLP [NH3+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623175720 367462919 /nfs/dbraw/zinc/46/29/19/367462919.db2.gz JMQBOXGKFFMANN-NEPJUHHUSA-N 2 2 262.357 0.785 20 0 CCADLP C[C@]1(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CCC[NH2+]C1 ZINC000623177181 367466093 /nfs/dbraw/zinc/46/60/93/367466093.db2.gz KSNDWLGVCUXVLC-WFASDCNBSA-N 2 2 276.384 0.951 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623304471 367526638 /nfs/dbraw/zinc/52/66/38/367526638.db2.gz ZBLKQUULVIVEHQ-LLVKDONJSA-N 2 2 250.346 0.654 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000623304471 367526647 /nfs/dbraw/zinc/52/66/47/367526647.db2.gz ZBLKQUULVIVEHQ-LLVKDONJSA-N 2 2 250.346 0.654 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000623306067 367526799 /nfs/dbraw/zinc/52/67/99/367526799.db2.gz GCVCRCZSGNFVSZ-WCQYABFASA-N 2 2 278.356 0.035 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000623306067 367526804 /nfs/dbraw/zinc/52/68/04/367526804.db2.gz GCVCRCZSGNFVSZ-WCQYABFASA-N 2 2 278.356 0.035 20 0 CCADLP C[C@@H](C(=O)N[C@@H]1Cc2c[nH+]cn2C1)[NH+]1CCSCC1 ZINC000623263159 367502738 /nfs/dbraw/zinc/50/27/38/367502738.db2.gz DOWDFNWGTVFPDQ-WDEREUQCSA-N 2 2 280.397 0.361 20 0 CCADLP CC1(C)C[NH+](CC(=O)N[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000623300503 367524072 /nfs/dbraw/zinc/52/40/72/367524072.db2.gz SSZAYSKQNOXMSR-NSHDSACASA-N 2 2 262.357 0.656 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000623300687 367524292 /nfs/dbraw/zinc/52/42/92/367524292.db2.gz XVYIMBRWDKSEIY-VXGBXAGGSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000623300687 367524301 /nfs/dbraw/zinc/52/43/01/367524301.db2.gz XVYIMBRWDKSEIY-VXGBXAGGSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@H]1C)[C@@H](C)[NH+]1CCOCC1 ZINC000362723574 296102013 /nfs/dbraw/zinc/10/20/13/296102013.db2.gz KSHHJMBELCWXOC-SYQHCUMBSA-N 2 2 283.416 0.410 20 0 CCADLP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)[C@@H](C)[NH+]1CCOCC1 ZINC000362723574 296102015 /nfs/dbraw/zinc/10/20/15/296102015.db2.gz KSHHJMBELCWXOC-SYQHCUMBSA-N 2 2 283.416 0.410 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2COCC[NH+]2C)CC[N@@H+]1C ZINC000623727378 367638608 /nfs/dbraw/zinc/63/86/08/367638608.db2.gz WSPONWRMJKQZRS-JHJVBQTASA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2COCC[NH+]2C)CC[N@H+]1C ZINC000623727378 367638611 /nfs/dbraw/zinc/63/86/11/367638611.db2.gz WSPONWRMJKQZRS-JHJVBQTASA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2COCC[N@@H+]2C)CC[NH+]1C ZINC000623727378 367638614 /nfs/dbraw/zinc/63/86/14/367638614.db2.gz WSPONWRMJKQZRS-JHJVBQTASA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2COCC[N@H+]2C)CC[NH+]1C ZINC000623727378 367638618 /nfs/dbraw/zinc/63/86/18/367638618.db2.gz WSPONWRMJKQZRS-JHJVBQTASA-N 2 2 284.404 0.099 20 0 CCADLP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623716281 367631898 /nfs/dbraw/zinc/63/18/98/367631898.db2.gz LIWDEWBBMOAZQW-QWHCGFSZSA-N 2 2 286.420 0.347 20 0 CCADLP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623716281 367631899 /nfs/dbraw/zinc/63/18/99/367631899.db2.gz LIWDEWBBMOAZQW-QWHCGFSZSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](O)C1)C1CC[NH+](C)CC1 ZINC000624227100 367795032 /nfs/dbraw/zinc/79/50/32/367795032.db2.gz GZZVXXJWNALWAE-GXTWGEPZSA-N 3 2 255.406 0.373 20 0 CCADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](O)C1)C1CC[NH+](C)CC1 ZINC000624227100 367795037 /nfs/dbraw/zinc/79/50/37/367795037.db2.gz GZZVXXJWNALWAE-GXTWGEPZSA-N 3 2 255.406 0.373 20 0 CCADLP O[C@H]1CCN(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000624333885 367836035 /nfs/dbraw/zinc/83/60/35/367836035.db2.gz XYVNEPNDVNQGML-HNNXBMFYSA-N 2 2 290.411 0.707 20 0 CCADLP Cn1cc(CC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)nn1 ZINC000625215484 368101445 /nfs/dbraw/zinc/10/14/45/368101445.db2.gz DNYBIUJSEBGZJQ-UHFFFAOYSA-N 2 2 260.345 0.960 20 0 CCADLP Cn1cc(CC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)nn1 ZINC000625379881 368168369 /nfs/dbraw/zinc/16/83/69/368168369.db2.gz HMGXRYLJAGQZPQ-CQSZACIVSA-N 2 2 273.340 0.906 20 0 CCADLP Cn1cc(CC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)nn1 ZINC000625379881 368168380 /nfs/dbraw/zinc/16/83/80/368168380.db2.gz HMGXRYLJAGQZPQ-CQSZACIVSA-N 2 2 273.340 0.906 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)C[C@H]1[NH3+] ZINC000335515067 212200696 /nfs/dbraw/zinc/20/06/96/212200696.db2.gz GLXCZDJVICSAHB-ZYHUDNBSSA-N 2 2 258.325 0.682 20 0 CCADLP CC[C@@](C)(O)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625546812 368240081 /nfs/dbraw/zinc/24/00/81/368240081.db2.gz UDTVOPOUJBRCIJ-CQSZACIVSA-N 2 2 256.390 0.944 20 0 CCADLP O=C1CCCN1CC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625553327 368243731 /nfs/dbraw/zinc/24/37/31/368243731.db2.gz QXXKCIBYKYRYAH-UHFFFAOYSA-N 2 2 281.400 0.405 20 0 CCADLP C[NH2+]Cc1ccc(NC(=O)NC[C@@H]2COCC[N@@H+]2C)cc1 ZINC000625897571 368361906 /nfs/dbraw/zinc/36/19/06/368361906.db2.gz JSSFRDKSFKXZEM-CQSZACIVSA-N 2 2 292.383 0.858 20 0 CCADLP C[NH2+]Cc1ccc(NC(=O)NC[C@@H]2COCC[N@H+]2C)cc1 ZINC000625897571 368361908 /nfs/dbraw/zinc/36/19/08/368361908.db2.gz JSSFRDKSFKXZEM-CQSZACIVSA-N 2 2 292.383 0.858 20 0 CCADLP Nc1ncc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)s1 ZINC000566561733 291423521 /nfs/dbraw/zinc/42/35/21/291423521.db2.gz MIDITXRMVYYFHE-JTQLQIEISA-N 2 2 267.402 0.035 20 0 CCADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@H](C)O)CC1 ZINC000626089623 368437360 /nfs/dbraw/zinc/43/73/60/368437360.db2.gz YMBICBLOAVPHNR-ZDUSSCGKSA-N 2 2 256.390 0.944 20 0 CCADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@H]2CNC(=O)C2)CC1 ZINC000626089480 368437809 /nfs/dbraw/zinc/43/78/09/368437809.db2.gz SESLEQBBKIGESF-CQSZACIVSA-N 2 2 295.427 0.699 20 0 CCADLP O=C(NCC[N@H+]1CC[C@@H](O)C1)Nc1ccc2[nH+]ccn2c1 ZINC000626393722 368533729 /nfs/dbraw/zinc/53/37/29/368533729.db2.gz DFLORBPWMYVINE-GFCCVEGCSA-N 2 2 289.339 0.522 20 0 CCADLP O=C(NCC[N@@H+]1CC[C@@H](O)C1)Nc1ccc2[nH+]ccn2c1 ZINC000626393722 368533736 /nfs/dbraw/zinc/53/37/36/368533736.db2.gz DFLORBPWMYVINE-GFCCVEGCSA-N 2 2 289.339 0.522 20 0 CCADLP O=C([C@H]1CC[NH2+]C1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000238004641 296124421 /nfs/dbraw/zinc/12/44/21/296124421.db2.gz CSHZTCHUQXISLX-UONOGXRCSA-N 2 2 281.400 0.309 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)C[NH2+]1 ZINC000626920775 368678422 /nfs/dbraw/zinc/67/84/22/368678422.db2.gz KNWIHGYNRCOIHV-STQMWFEESA-N 2 2 298.431 0.537 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000627017090 368739242 /nfs/dbraw/zinc/73/92/42/368739242.db2.gz ZSSRDQFHDBNQEU-SDDRHHMPSA-N 2 2 277.372 0.638 20 0 CCADLP CC[C@@H](NC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1C)c1[nH]cc[nH+]1 ZINC000330589021 203008170 /nfs/dbraw/zinc/00/81/70/203008170.db2.gz XYLUSQWRVXWFIZ-AXFHLTTASA-N 2 2 266.345 0.696 20 0 CCADLP CC[C@@H](NC(=O)[C@@H]1C[C@H](OC)C[N@H+]1C)c1[nH]cc[nH+]1 ZINC000330589021 203008172 /nfs/dbraw/zinc/00/81/72/203008172.db2.gz XYLUSQWRVXWFIZ-AXFHLTTASA-N 2 2 266.345 0.696 20 0 CCADLP C[NH2+]CCOCCNC(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000627053088 368758419 /nfs/dbraw/zinc/75/84/19/368758419.db2.gz XHRJEENJULQCKQ-MNOVXSKESA-N 2 2 281.360 0.424 20 0 CCADLP CCN(CC[NH3+])C(=O)N[C@@H](C)c1[nH+]ccn1CC ZINC000627052819 368758703 /nfs/dbraw/zinc/75/87/03/368758703.db2.gz TUUGVKFMDLALIP-JTQLQIEISA-N 2 2 253.350 0.954 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C[NH2+]1 ZINC000627207445 368878922 /nfs/dbraw/zinc/87/89/22/368878922.db2.gz REZACQWNRQFLFT-XDQVBPFNSA-N 2 2 296.415 0.289 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C[NH2+]1 ZINC000627207445 368878925 /nfs/dbraw/zinc/87/89/25/368878925.db2.gz REZACQWNRQFLFT-XDQVBPFNSA-N 2 2 296.415 0.289 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]21 ZINC000627655456 369068013 /nfs/dbraw/zinc/06/80/13/369068013.db2.gz RKNJMYDVAOZPAS-IAZYJMLFSA-N 2 2 262.357 0.706 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000330675251 203103171 /nfs/dbraw/zinc/10/31/71/203103171.db2.gz JBTKFSLGHHIOQK-QWRGUYRKSA-N 2 2 250.346 0.512 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000330736685 203171852 /nfs/dbraw/zinc/17/18/52/203171852.db2.gz NJWPPWMQTBTXJZ-STQMWFEESA-N 2 2 298.431 0.042 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000330736685 203171856 /nfs/dbraw/zinc/17/18/56/203171856.db2.gz NJWPPWMQTBTXJZ-STQMWFEESA-N 2 2 298.431 0.042 20 0 CCADLP CC(C)NC(=O)C[NH+](C)CC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000330736685 203171859 /nfs/dbraw/zinc/17/18/59/203171859.db2.gz NJWPPWMQTBTXJZ-STQMWFEESA-N 2 2 298.431 0.042 20 0 CCADLP CC(C)NC(=O)C[NH+](C)CC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000330736685 203171862 /nfs/dbraw/zinc/17/18/62/203171862.db2.gz NJWPPWMQTBTXJZ-STQMWFEESA-N 2 2 298.431 0.042 20 0 CCADLP C[N@H+](Cc1cccc2[nH+]ccn21)[C@@]1(CO)CCOC1 ZINC000628367106 369249985 /nfs/dbraw/zinc/24/99/85/369249985.db2.gz MFHIVYSDGRGPKX-CQSZACIVSA-N 2 2 261.325 0.918 20 0 CCADLP C[N@@H+](Cc1cccc2[nH+]ccn21)[C@@]1(CO)CCOC1 ZINC000628367106 369249991 /nfs/dbraw/zinc/24/99/91/369249991.db2.gz MFHIVYSDGRGPKX-CQSZACIVSA-N 2 2 261.325 0.918 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000567245993 291468457 /nfs/dbraw/zinc/46/84/57/291468457.db2.gz CJYYGWUPFZTDGN-AWEZNQCLSA-N 2 2 296.415 0.069 20 0 CCADLP COc1cc(C)nc(C[NH2+]CC2([NH3+])CCOCC2)c1 ZINC000629387133 369650958 /nfs/dbraw/zinc/65/09/58/369650958.db2.gz CRDOJRBPEQUVLA-UHFFFAOYSA-N 2 2 265.357 0.996 20 0 CCADLP COc1cc(C)[nH+]c(CNCC2([NH3+])CCOCC2)c1 ZINC000629387133 369650962 /nfs/dbraw/zinc/65/09/62/369650962.db2.gz CRDOJRBPEQUVLA-UHFFFAOYSA-N 2 2 265.357 0.996 20 0 CCADLP C[NH2+]CCOCC[N@H+](C)CC(=O)Nc1nccs1 ZINC000629571767 369716565 /nfs/dbraw/zinc/71/65/65/369716565.db2.gz QGETWSHPYYMRKS-UHFFFAOYSA-N 2 2 272.374 0.249 20 0 CCADLP C[NH2+]CCOCC[N@@H+](C)CC(=O)Nc1nccs1 ZINC000629571767 369716568 /nfs/dbraw/zinc/71/65/68/369716568.db2.gz QGETWSHPYYMRKS-UHFFFAOYSA-N 2 2 272.374 0.249 20 0 CCADLP C[N@H+](CCOCC[NH3+])[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000629578255 369721187 /nfs/dbraw/zinc/72/11/87/369721187.db2.gz ADAODBMJGBLRRE-GFCCVEGCSA-N 2 2 269.320 0.259 20 0 CCADLP C[N@@H+](CCOCC[NH3+])[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000629578255 369721193 /nfs/dbraw/zinc/72/11/93/369721193.db2.gz ADAODBMJGBLRRE-GFCCVEGCSA-N 2 2 269.320 0.259 20 0 CCADLP Cc1cncc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000629518466 369689216 /nfs/dbraw/zinc/68/92/16/369689216.db2.gz MCSDWLWRZKPYFA-OAHLLOKOSA-N 2 2 288.395 0.786 20 0 CCADLP Cc1cncc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000629518466 369689221 /nfs/dbraw/zinc/68/92/21/369689221.db2.gz MCSDWLWRZKPYFA-OAHLLOKOSA-N 2 2 288.395 0.786 20 0 CCADLP COc1cncc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)n1 ZINC000629535563 369694922 /nfs/dbraw/zinc/69/49/22/369694922.db2.gz GNFMPGIIIRHTTH-LLVKDONJSA-N 2 2 250.346 0.963 20 0 CCADLP CC[N@H+](CC[NH3+])CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000629557810 369707101 /nfs/dbraw/zinc/70/71/01/369707101.db2.gz YEJPCXIYVWKMEF-UHFFFAOYSA-N 2 2 278.356 0.395 20 0 CCADLP CC[N@@H+](CC[NH3+])CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000629557810 369707106 /nfs/dbraw/zinc/70/71/06/369707106.db2.gz YEJPCXIYVWKMEF-UHFFFAOYSA-N 2 2 278.356 0.395 20 0 CCADLP OCCOCCNc1ccc(C2=CC[NH2+]CC2)c[nH+]1 ZINC000629723823 369764112 /nfs/dbraw/zinc/76/41/12/369764112.db2.gz RFWOKIVDTKZORS-UHFFFAOYSA-N 2 2 263.341 0.301 20 0 CCADLP O=C1[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C[C@H]2CCCCN12 ZINC000629580085 369723546 /nfs/dbraw/zinc/72/35/46/369723546.db2.gz MLVVLXHRLQUPNB-HZSPNIEDSA-N 2 2 281.400 0.186 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629583499 369726145 /nfs/dbraw/zinc/72/61/45/369726145.db2.gz BBUZOWPYWRKSKW-CLWVCHIJSA-N 2 2 295.427 0.602 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629583499 369726152 /nfs/dbraw/zinc/72/61/52/369726152.db2.gz BBUZOWPYWRKSKW-CLWVCHIJSA-N 2 2 295.427 0.602 20 0 CCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCN1C(=O)CCC1=O)C2 ZINC000629592158 369731967 /nfs/dbraw/zinc/73/19/67/369731967.db2.gz BFNVROBTEDTHEX-OKILXGFUSA-N 2 2 265.357 0.067 20 0 CCADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCN1C(=O)CCC1=O)C2 ZINC000629592158 369731971 /nfs/dbraw/zinc/73/19/71/369731971.db2.gz BFNVROBTEDTHEX-OKILXGFUSA-N 2 2 265.357 0.067 20 0 CCADLP CCC(F)(F)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000629596748 369733910 /nfs/dbraw/zinc/73/39/10/369733910.db2.gz LGXUBCQWJOSKPS-NSHDSACASA-N 2 2 265.348 0.230 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[N@H+](C)C1CCC1 ZINC000629948604 369850162 /nfs/dbraw/zinc/85/01/62/369850162.db2.gz JELKNJGWPIBXOG-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[N@@H+](C)C1CCC1 ZINC000629948604 369850165 /nfs/dbraw/zinc/85/01/65/369850165.db2.gz JELKNJGWPIBXOG-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C2CC2)CC1)C1CCC1 ZINC000629953380 369851178 /nfs/dbraw/zinc/85/11/78/369851178.db2.gz SGMGZCHFQHLYGV-UHFFFAOYSA-N 2 2 251.374 0.777 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C2CC2)CC1)C1CCC1 ZINC000629953380 369851180 /nfs/dbraw/zinc/85/11/80/369851180.db2.gz SGMGZCHFQHLYGV-UHFFFAOYSA-N 2 2 251.374 0.777 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC1CC([NH+](C)C)C1)CC2 ZINC000629989398 369876213 /nfs/dbraw/zinc/87/62/13/369876213.db2.gz SYVYDULDLWBPCP-HIFPTAJRSA-N 2 2 276.384 0.963 20 0 CCADLP c1nc(N2C[C@@H]3C[C@H]2C[NH2+]3)cc(N2CCSCC2)[nH+]1 ZINC000630554359 370166813 /nfs/dbraw/zinc/16/68/13/370166813.db2.gz VYCUFMOQRPSFJX-QWRGUYRKSA-N 2 2 277.397 0.580 20 0 CCADLP c1c([C@H]2COCC[NH2+]2)nnn1CC[NH+]1CCCC1 ZINC000630618036 370213570 /nfs/dbraw/zinc/21/35/70/370213570.db2.gz KIHBCIDPTBYJHN-GFCCVEGCSA-N 2 2 251.334 0.035 20 0 CCADLP [NH3+]Cc1cccc(-n2cc(CC[NH+]3CCOCC3)nn2)c1 ZINC000630607415 370204805 /nfs/dbraw/zinc/20/48/05/370204805.db2.gz HORSJGNGQNVTKA-UHFFFAOYSA-N 2 2 287.367 0.601 20 0 CCADLP Cc1nc(NC[C@@H](c2cccs2)[NH+](C)C)nc(N)[nH+]1 ZINC000631036096 370365060 /nfs/dbraw/zinc/36/50/60/370365060.db2.gz FOIABRDLKGSZIQ-VIFPVBQESA-N 2 2 278.385 0.791 20 0 CCADLP CCC[NH+]1CCC(CNc2nc(C)[nH+]c(N)n2)CC1 ZINC000631087479 370381676 /nfs/dbraw/zinc/38/16/76/370381676.db2.gz XRBFGUVPBOKOAS-UHFFFAOYSA-N 2 2 264.377 0.548 20 0 CCADLP CCC[NH+]1CCC(CNc2nc(N)nc(C)[nH+]2)CC1 ZINC000631087479 370381680 /nfs/dbraw/zinc/38/16/80/370381680.db2.gz XRBFGUVPBOKOAS-UHFFFAOYSA-N 2 2 264.377 0.548 20 0 CCADLP CC[C@H](C[NH+]1CCCC1)Nc1nc(C)[nH+]c(N)n1 ZINC000631120916 370389826 /nfs/dbraw/zinc/38/98/26/370389826.db2.gz MYQLEDQHKJROAE-SNVBAGLBSA-N 2 2 250.350 0.879 20 0 CCADLP Cc1cccn2c(C[NH2+][C@@H]3COCC[C@H]3O)c[nH+]c12 ZINC000631271889 370447776 /nfs/dbraw/zinc/44/77/76/370447776.db2.gz MWHJQQOCJUOZNO-CHWSQXEVSA-N 2 2 261.325 0.882 20 0 CCADLP C[NH+](C)C1(CS(=O)(=O)N2CCC[N@H+](C)CC2)CC1 ZINC000631644391 370624838 /nfs/dbraw/zinc/62/48/38/370624838.db2.gz GDJGZILYOHHRCN-UHFFFAOYSA-N 2 2 275.418 0.048 20 0 CCADLP C[NH+](C)C1(CS(=O)(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000631644391 370624840 /nfs/dbraw/zinc/62/48/40/370624840.db2.gz GDJGZILYOHHRCN-UHFFFAOYSA-N 2 2 275.418 0.048 20 0 CCADLP CN(CC[NH+]1CCCC1)C(=O)CCc1c[nH+]c[nH]1 ZINC000331672621 204060844 /nfs/dbraw/zinc/06/08/44/204060844.db2.gz QPVUFZFFYRITGL-UHFFFAOYSA-N 2 2 250.346 0.897 20 0 CCADLP CN(CC[NH+]1CCCC1)C(=O)CCc1c[nH]c[nH+]1 ZINC000331672621 204060848 /nfs/dbraw/zinc/06/08/48/204060848.db2.gz QPVUFZFFYRITGL-UHFFFAOYSA-N 2 2 250.346 0.897 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000633087400 371390406 /nfs/dbraw/zinc/39/04/06/371390406.db2.gz JINVXKYWXKDJGS-UHFFFAOYSA-N 2 2 295.387 0.662 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000633087400 371390410 /nfs/dbraw/zinc/39/04/10/371390410.db2.gz JINVXKYWXKDJGS-UHFFFAOYSA-N 2 2 295.387 0.662 20 0 CCADLP C[C@@H](CNC(=O)N(C)Cc1[nH]cc[nH+]1)C[NH+]1CCOCC1 ZINC000633088091 371391969 /nfs/dbraw/zinc/39/19/69/371391969.db2.gz OPWSZBJRAQWTJM-LBPRGKRZSA-N 2 2 295.387 0.519 20 0 CCADLP Cn1nnnc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000567890192 291531097 /nfs/dbraw/zinc/53/10/97/291531097.db2.gz ZGDHRRHEVJQGGZ-LLVKDONJSA-N 2 2 250.350 0.032 20 0 CCADLP CC[NH+](CC)CCn1cc([C@H]2COCC[NH2+]2)nn1 ZINC000656439646 412795035 /nfs/dbraw/zinc/79/50/35/412795035.db2.gz ZJWJCNTUDOQJCE-GFCCVEGCSA-N 2 2 253.350 0.281 20 0 CCADLP C[C@](O)(C[C@H](O)C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C1CC1 ZINC000634705113 372150708 /nfs/dbraw/zinc/15/07/08/372150708.db2.gz VJSNMOOMGAZECT-PMPSAXMXSA-N 2 2 282.428 0.972 20 0 CCADLP C[C@](O)(C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C1CC1 ZINC000634705113 372150716 /nfs/dbraw/zinc/15/07/16/372150716.db2.gz VJSNMOOMGAZECT-PMPSAXMXSA-N 2 2 282.428 0.972 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)C[C@](C)(O)C1CC1 ZINC000634704472 372151161 /nfs/dbraw/zinc/15/11/61/372151161.db2.gz LGAATHAQEUUTPZ-MCIONIFRSA-N 2 2 256.390 0.582 20 0 CCADLP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)C[C@](C)(O)C1CC1 ZINC000634704472 372151165 /nfs/dbraw/zinc/15/11/65/372151165.db2.gz LGAATHAQEUUTPZ-MCIONIFRSA-N 2 2 256.390 0.582 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)n1C ZINC000634704349 372151287 /nfs/dbraw/zinc/15/12/87/372151287.db2.gz JXAGSESETFKFKE-UKRRQHHQSA-N 2 2 296.415 0.488 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC(COC)(C2CC2)C1 ZINC000634652478 372125938 /nfs/dbraw/zinc/12/59/38/372125938.db2.gz RUCCPVWDKSYQLO-CQSZACIVSA-N 2 2 286.416 0.284 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC(COC)(C2CC2)C1 ZINC000634652478 372125942 /nfs/dbraw/zinc/12/59/42/372125942.db2.gz RUCCPVWDKSYQLO-CQSZACIVSA-N 2 2 286.416 0.284 20 0 CCADLP c1nc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc(N2CCOCC2)[nH+]1 ZINC000634807898 372247103 /nfs/dbraw/zinc/24/71/03/372247103.db2.gz DRPVZMBANSOCKM-QWHCGFSZSA-N 2 2 289.383 0.501 20 0 CCADLP Cc1nc(N2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc[nH+]1 ZINC000634811059 372255505 /nfs/dbraw/zinc/25/55/05/372255505.db2.gz RLYBKDAJLYEUKJ-LBPRGKRZSA-N 2 2 273.344 0.677 20 0 CCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccon1 ZINC000634958414 372312062 /nfs/dbraw/zinc/31/20/62/372312062.db2.gz PGHFQTRDXQLNCC-CYBMUJFWSA-N 2 2 280.372 0.707 20 0 CCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccon1 ZINC000634958414 372312070 /nfs/dbraw/zinc/31/20/70/372312070.db2.gz PGHFQTRDXQLNCC-CYBMUJFWSA-N 2 2 280.372 0.707 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634959569 372312479 /nfs/dbraw/zinc/31/24/79/372312479.db2.gz VNJPEQRWFPPQBM-STQMWFEESA-N 2 2 269.389 0.356 20 0 CCADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634959569 372312484 /nfs/dbraw/zinc/31/24/84/372312484.db2.gz VNJPEQRWFPPQBM-STQMWFEESA-N 2 2 269.389 0.356 20 0 CCADLP C([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)C12CC(C1)C[NH2+]2 ZINC000634995408 372330301 /nfs/dbraw/zinc/33/03/01/372330301.db2.gz CZZYDMJWVDHFMP-UHFFFAOYSA-N 3 2 278.444 0.544 20 0 CCADLP COCC[NH2+]C1CC[NH+](C[C@H](C[NH3+])C(C)C)CC1 ZINC000634996410 372333070 /nfs/dbraw/zinc/33/30/70/372333070.db2.gz IWYIGSKTJLLSCE-ZDUSSCGKSA-N 3 2 257.422 0.918 20 0 CCADLP CNC(=O)c1cccc(C[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC000634995709 372333304 /nfs/dbraw/zinc/33/33/04/372333304.db2.gz MXCSMQMQJUNBNS-UHFFFAOYSA-N 2 2 259.353 0.888 20 0 CCADLP CCC[C@H](CCO)[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000635006178 372340625 /nfs/dbraw/zinc/34/06/25/372340625.db2.gz XSIISIFJVNKULH-RDBSUJKOSA-N 2 2 256.390 0.894 20 0 CCADLP C[C@H](C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000635166412 372400983 /nfs/dbraw/zinc/40/09/83/372400983.db2.gz UFAAEFGGFRCBOI-RWMBFGLXSA-N 2 2 285.432 0.941 20 0 CCADLP C[C@H](C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)[NH+](C)C ZINC000635505629 372570712 /nfs/dbraw/zinc/57/07/12/372570712.db2.gz ADTZTBMXVWCXJD-SDDRHHMPSA-N 2 2 257.378 0.162 20 0 CCADLP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)Cn1cc[nH+]c1 ZINC000635592454 372665152 /nfs/dbraw/zinc/66/51/52/372665152.db2.gz MNJLSRKUVGLVNK-CHWSQXEVSA-N 2 2 264.373 0.977 20 0 CCADLP C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)Cn1cc[nH+]c1 ZINC000635592454 372665157 /nfs/dbraw/zinc/66/51/57/372665157.db2.gz MNJLSRKUVGLVNK-CHWSQXEVSA-N 2 2 264.373 0.977 20 0 CCADLP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000635617934 372691350 /nfs/dbraw/zinc/69/13/50/372691350.db2.gz IXGZHMDASKVRRO-CABCVRRESA-N 2 2 295.427 0.651 20 0 CCADLP C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000635617934 372691351 /nfs/dbraw/zinc/69/13/51/372691351.db2.gz IXGZHMDASKVRRO-CABCVRRESA-N 2 2 295.427 0.651 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[NH2+]C(C)(C)C2)[nH+]1 ZINC000635646396 372721633 /nfs/dbraw/zinc/72/16/33/372721633.db2.gz WEYZQBWONUNNOL-UHFFFAOYSA-N 2 2 250.346 0.725 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635715523 372806023 /nfs/dbraw/zinc/80/60/23/372806023.db2.gz VYWOSAQLUHJEFA-YNEHKIRRSA-N 2 2 292.383 0.428 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000635715523 372806029 /nfs/dbraw/zinc/80/60/29/372806029.db2.gz VYWOSAQLUHJEFA-YNEHKIRRSA-N 2 2 292.383 0.428 20 0 CCADLP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000333247312 205149762 /nfs/dbraw/zinc/14/97/62/205149762.db2.gz FZLMBWDQXJWAOL-NFAWXSAZSA-N 2 2 295.427 0.873 20 0 CCADLP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000333247312 205149766 /nfs/dbraw/zinc/14/97/66/205149766.db2.gz FZLMBWDQXJWAOL-NFAWXSAZSA-N 2 2 295.427 0.873 20 0 CCADLP CC(C)N1C[C@H]([NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)CC1=O ZINC000333288302 205186604 /nfs/dbraw/zinc/18/66/04/205186604.db2.gz NYKBLSPGVFCSMQ-JHJVBQTASA-N 2 2 269.389 0.352 20 0 CCADLP O=C(NCC[N@@H+]1CCCOCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635835992 372980721 /nfs/dbraw/zinc/98/07/21/372980721.db2.gz RWOHJNLBDASHSL-VXGBXAGGSA-N 2 2 278.356 0.352 20 0 CCADLP O=C(NCC[N@H+]1CCCOCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635835992 372980727 /nfs/dbraw/zinc/98/07/27/372980727.db2.gz RWOHJNLBDASHSL-VXGBXAGGSA-N 2 2 278.356 0.352 20 0 CCADLP O=C(NCC[N@@H+]1CCCOCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635835992 372980731 /nfs/dbraw/zinc/98/07/31/372980731.db2.gz RWOHJNLBDASHSL-VXGBXAGGSA-N 2 2 278.356 0.352 20 0 CCADLP O=C(NCC[N@H+]1CCCOCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635835992 372980735 /nfs/dbraw/zinc/98/07/35/372980735.db2.gz RWOHJNLBDASHSL-VXGBXAGGSA-N 2 2 278.356 0.352 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635870311 373026517 /nfs/dbraw/zinc/02/65/17/373026517.db2.gz VMOZJBJLAIOZHE-KGLIPLIRSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635870311 373026527 /nfs/dbraw/zinc/02/65/27/373026527.db2.gz VMOZJBJLAIOZHE-KGLIPLIRSA-N 2 2 283.416 0.507 20 0 CCADLP C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC000635859234 373013013 /nfs/dbraw/zinc/01/30/13/373013013.db2.gz PVCABOVHUZVDJE-GHMZBOCLSA-N 2 2 260.341 0.677 20 0 CCADLP C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC000635859234 373013022 /nfs/dbraw/zinc/01/30/22/373013022.db2.gz PVCABOVHUZVDJE-GHMZBOCLSA-N 2 2 260.341 0.677 20 0 CCADLP C[C@@H]1CC2(C[N@@H+]1Cc1nnn(C)n1)CC[NH2+]CC2 ZINC000333460800 205340976 /nfs/dbraw/zinc/34/09/76/205340976.db2.gz GKGSIWPFLLJVEF-SNVBAGLBSA-N 2 2 250.350 0.174 20 0 CCADLP C[C@@H]1CC2(C[N@H+]1Cc1nnn(C)n1)CC[NH2+]CC2 ZINC000333460800 205340981 /nfs/dbraw/zinc/34/09/81/205340981.db2.gz GKGSIWPFLLJVEF-SNVBAGLBSA-N 2 2 250.350 0.174 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000333467898 205346068 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295.427 0.650 20 0 CCADLP C[C@H](C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C)[NH+](C)C ZINC000635920573 373106736 /nfs/dbraw/zinc/10/67/36/373106736.db2.gz TVENLPSZXBQVHJ-XQQFMLRXSA-N 2 2 269.389 0.258 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000636011131 373240537 /nfs/dbraw/zinc/24/05/37/373240537.db2.gz AXKXDRXMHXINGC-CYBMUJFWSA-N 2 2 294.399 0.532 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000636011131 373240543 /nfs/dbraw/zinc/24/05/43/373240543.db2.gz AXKXDRXMHXINGC-CYBMUJFWSA-N 2 2 294.399 0.532 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC000636014405 373248591 /nfs/dbraw/zinc/24/85/91/373248591.db2.gz BLHBHIWNOJQEHY-LLVKDONJSA-N 2 2 250.346 0.421 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC000636014405 373248594 /nfs/dbraw/zinc/24/85/94/373248594.db2.gz BLHBHIWNOJQEHY-LLVKDONJSA-N 2 2 250.346 0.421 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000636048331 373294178 /nfs/dbraw/zinc/29/41/78/373294178.db2.gz OMSRWXOJPSZXRY-JSGCOSHPSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000636048331 373294183 /nfs/dbraw/zinc/29/41/83/373294183.db2.gz OMSRWXOJPSZXRY-JSGCOSHPSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636034055 373281766 /nfs/dbraw/zinc/28/17/66/373281766.db2.gz GKNQNJWAPUEXMK-UMSGYPCISA-N 2 2 292.383 0.427 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636034055 373281772 /nfs/dbraw/zinc/28/17/72/373281772.db2.gz GKNQNJWAPUEXMK-UMSGYPCISA-N 2 2 292.383 0.427 20 0 CCADLP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636034055 373281780 /nfs/dbraw/zinc/28/17/80/373281780.db2.gz GKNQNJWAPUEXMK-UMSGYPCISA-N 2 2 292.383 0.427 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636034055 373281786 /nfs/dbraw/zinc/28/17/86/373281786.db2.gz GKNQNJWAPUEXMK-UMSGYPCISA-N 2 2 292.383 0.427 20 0 CCADLP Cc1cn2ccc(C(=O)NCC[N@@H+]3CC[C@@H](O)C3)cc2[nH+]1 ZINC000636288407 373524026 /nfs/dbraw/zinc/52/40/26/373524026.db2.gz UBLANXMGFQKGRE-CYBMUJFWSA-N 2 2 288.351 0.439 20 0 CCADLP Cc1cn2ccc(C(=O)NCC[N@H+]3CC[C@@H](O)C3)cc2[nH+]1 ZINC000636288407 373524032 /nfs/dbraw/zinc/52/40/32/373524032.db2.gz UBLANXMGFQKGRE-CYBMUJFWSA-N 2 2 288.351 0.439 20 0 CCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636557685 373644002 /nfs/dbraw/zinc/64/40/02/373644002.db2.gz YNKQBGPPVNCROL-CHWSQXEVSA-N 2 2 291.399 0.981 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636584948 373658928 /nfs/dbraw/zinc/65/89/28/373658928.db2.gz OVIOOQBGTXFPMC-LBPRGKRZSA-N 2 2 295.387 0.075 20 0 CCADLP COCC[N@@H+](C)CCCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636584948 373658939 /nfs/dbraw/zinc/65/89/39/373658939.db2.gz OVIOOQBGTXFPMC-LBPRGKRZSA-N 2 2 295.387 0.075 20 0 CCADLP C[NH+]1CCC(CCNC(=O)N[C@H]2Cc3c[nH+]cn3C2)CC1 ZINC000636726225 373725638 /nfs/dbraw/zinc/72/56/38/373725638.db2.gz CJKKOWRFVBEIBB-ZDUSSCGKSA-N 2 2 291.399 0.839 20 0 CCADLP C[C@H]1C[C@H](NC(=O)NCC[N@@H+]2CC[C@H](O)C2)c2[nH+]ccn21 ZINC000637197283 373996172 /nfs/dbraw/zinc/99/61/72/373996172.db2.gz HVFACGSJEOIQGD-SRVKXCTJSA-N 2 2 293.371 0.255 20 0 CCADLP C[C@H]1C[C@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)c2[nH+]ccn21 ZINC000637197283 373996181 /nfs/dbraw/zinc/99/61/81/373996181.db2.gz HVFACGSJEOIQGD-SRVKXCTJSA-N 2 2 293.371 0.255 20 0 CCADLP O=C(NCC[NH2+]C1CC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000637349069 374115091 /nfs/dbraw/zinc/11/50/91/374115091.db2.gz YPELSXUZOKXDON-AWEZNQCLSA-N 2 2 296.415 0.245 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@H]2CCC[NH+]2C)[C@@H](C)CO1 ZINC000637379385 374127402 /nfs/dbraw/zinc/12/74/02/374127402.db2.gz FBWXJCTVPCVRGC-BFHYXJOUSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@H]2CCC[NH+]2C)[C@@H](C)CO1 ZINC000637379385 374127405 /nfs/dbraw/zinc/12/74/05/374127405.db2.gz FBWXJCTVPCVRGC-BFHYXJOUSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@H]2CCC[N@@H+]2C)[C@@H](C)CO1 ZINC000637379385 374127408 /nfs/dbraw/zinc/12/74/08/374127408.db2.gz FBWXJCTVPCVRGC-BFHYXJOUSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@H]2CCC[N@H+]2C)[C@@H](C)CO1 ZINC000637379385 374127413 /nfs/dbraw/zinc/12/74/13/374127413.db2.gz FBWXJCTVPCVRGC-BFHYXJOUSA-N 2 2 298.431 0.489 20 0 CCADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)NC[C@@H]1COCC[NH+]1C ZINC000637441744 374160140 /nfs/dbraw/zinc/16/01/40/374160140.db2.gz OGJHOESLSMSTOR-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NC[C@@H]1COCC[NH+]1C ZINC000637441744 374160143 /nfs/dbraw/zinc/16/01/43/374160143.db2.gz OGJHOESLSMSTOR-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@H]1C[NH+](CC)CCN1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637441744 374160151 /nfs/dbraw/zinc/16/01/51/374160151.db2.gz OGJHOESLSMSTOR-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@H]1C[NH+](CC)CCN1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637441744 374160153 /nfs/dbraw/zinc/16/01/53/374160153.db2.gz OGJHOESLSMSTOR-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP CC(C)[NH2+]C1CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000637447814 374174947 /nfs/dbraw/zinc/17/49/47/374174947.db2.gz RHRYFDAPKHCHCK-AWEZNQCLSA-N 2 2 298.431 0.489 20 0 CCADLP CC(C)[NH2+]C1CCN(C(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000637447814 374174950 /nfs/dbraw/zinc/17/49/50/374174950.db2.gz RHRYFDAPKHCHCK-AWEZNQCLSA-N 2 2 298.431 0.489 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1CCOCC1 ZINC000656538556 412819935 /nfs/dbraw/zinc/81/99/35/412819935.db2.gz YBGQCDXEKSEXCC-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CC[NH2+][C@H]1C)Cn1cc[nH+]c1 ZINC000568395550 291590297 /nfs/dbraw/zinc/59/02/97/291590297.db2.gz OHGFTGKLFIDTLZ-GRYCIOLGSA-N 2 2 250.346 0.633 20 0 CCADLP [NH3+]C[C@@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)C1 ZINC000637824464 374363086 /nfs/dbraw/zinc/36/30/86/374363086.db2.gz ZQJKQZRYMRIXKC-NSHDSACASA-N 2 2 286.335 0.999 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC[C@H]1CCC[NH2+]1)CC2 ZINC000637827339 374366427 /nfs/dbraw/zinc/36/64/27/374366427.db2.gz PZNLLXKNYUTAAT-NWDGAFQWSA-N 2 2 262.357 0.622 20 0 CCADLP CC[NH2+]CCNC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000637826848 374366998 /nfs/dbraw/zinc/36/69/98/374366998.db2.gz YUERVVJIZPOBCF-UHFFFAOYSA-N 2 2 274.324 0.917 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCC[C@@H]1CC[NH2+]C1)CC2 ZINC000637832116 374375075 /nfs/dbraw/zinc/37/50/75/374375075.db2.gz GCBTXRWTBXQIRY-STQMWFEESA-N 2 2 276.384 0.870 20 0 CCADLP C[C@H](CCNC(=O)NCCn1cc[nH+]c1)[NH+](C)C ZINC000656543898 412821273 /nfs/dbraw/zinc/82/12/73/412821273.db2.gz VFIDNGQUVPPSLR-LLVKDONJSA-N 2 2 253.350 0.523 20 0 CCADLP Cc1csc(=O)n1CC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000334144416 206069281 /nfs/dbraw/zinc/06/92/81/206069281.db2.gz YCLIBQBTQJANHC-NWDGAFQWSA-N 2 2 267.398 0.760 20 0 CCADLP Cc1csc(=O)n1CC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000334144416 206069286 /nfs/dbraw/zinc/06/92/86/206069286.db2.gz YCLIBQBTQJANHC-NWDGAFQWSA-N 2 2 267.398 0.760 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N(C)[C@@H]1CC[NH2+]C1)CC2 ZINC000637834928 374380130 /nfs/dbraw/zinc/38/01/30/374380130.db2.gz BURGFJDIVXZEBV-NWDGAFQWSA-N 2 2 262.357 0.574 20 0 CCADLP CCc1c[nH]c(CC(=O)N(C)CC(C)(C)C[NH3+])[nH+]1 ZINC000637862240 374423623 /nfs/dbraw/zinc/42/36/23/374423623.db2.gz MOUJTXGFXHGUNN-UHFFFAOYSA-N 2 2 252.362 0.958 20 0 CCADLP CC(C)C[C@@H](C(=O)N1CCN(C)C[C@@H]1C[NH3+])n1cc[nH+]c1 ZINC000637865745 374428885 /nfs/dbraw/zinc/42/88/85/374428885.db2.gz FCORSPPFWKJMCM-KBPBESRZSA-N 2 2 293.415 0.572 20 0 CCADLP CC(C)C[C@H](C(=O)N1CCN(C)C[C@@H]1C[NH3+])n1cc[nH+]c1 ZINC000637865747 374429869 /nfs/dbraw/zinc/42/98/69/374429869.db2.gz FCORSPPFWKJMCM-UONOGXRCSA-N 2 2 293.415 0.572 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@]2(COC)CCCC[NH2+]2)CC1 ZINC000638046620 374587329 /nfs/dbraw/zinc/58/73/29/374587329.db2.gz IBDARQQZLJNYAF-AWEZNQCLSA-N 2 2 269.389 0.309 20 0 CCADLP CC(C)CC[C@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000638070249 374619349 /nfs/dbraw/zinc/61/93/49/374619349.db2.gz PNQROOWLJAUJQN-OLZOCXBDSA-N 2 2 271.405 0.587 20 0 CCADLP CC(C)CC[C@@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000638070248 374619571 /nfs/dbraw/zinc/61/95/71/374619571.db2.gz PNQROOWLJAUJQN-CHWSQXEVSA-N 2 2 271.405 0.587 20 0 CCADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000638090341 374650204 /nfs/dbraw/zinc/65/02/04/374650204.db2.gz IPEDVCQGVXWJCF-WFASDCNBSA-N 2 2 292.383 0.883 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000638113439 374680038 /nfs/dbraw/zinc/68/00/38/374680038.db2.gz BPQJFVSMZJHLTQ-MCIONIFRSA-N 2 2 283.416 0.744 20 0 CCADLP C[C@@]1(C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C[NH2+]CCO1 ZINC000638116519 374683063 /nfs/dbraw/zinc/68/30/63/374683063.db2.gz DZJABPCOTUKDGX-AWEZNQCLSA-N 2 2 278.356 0.494 20 0 CCADLP C[C@@]1(C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C[NH2+]CCO1 ZINC000638116519 374683069 /nfs/dbraw/zinc/68/30/69/374683069.db2.gz DZJABPCOTUKDGX-AWEZNQCLSA-N 2 2 278.356 0.494 20 0 CCADLP CO[C@]1(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CCOC1 ZINC000638120344 374686464 /nfs/dbraw/zinc/68/64/64/374686464.db2.gz ZBLKTVBMCWMIJX-CABCVRRESA-N 2 2 284.400 0.446 20 0 CCADLP CO[C@]1(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CCOC1 ZINC000638120344 374686468 /nfs/dbraw/zinc/68/64/68/374686468.db2.gz ZBLKTVBMCWMIJX-CABCVRRESA-N 2 2 284.400 0.446 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000638137400 374707955 /nfs/dbraw/zinc/70/79/55/374707955.db2.gz UPBVUKBTRCITOG-ZDUSSCGKSA-N 2 2 276.384 0.724 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@H](C)CC[NH3+])CC2 ZINC000638153119 374722895 /nfs/dbraw/zinc/72/28/95/374722895.db2.gz CEQBBADBYIBZMZ-KOLCDFICSA-N 2 2 250.346 0.607 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@@H]2CCC[NH2+][C@@H]2C)[nH+]1 ZINC000638204438 374789141 /nfs/dbraw/zinc/78/91/41/374789141.db2.gz DKCYQUVWPKDTQG-MWLCHTKSSA-N 2 2 250.346 0.771 20 0 CCADLP [NH3+][C@@H]1CC=C(C(=O)N2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000638272098 374874077 /nfs/dbraw/zinc/87/40/77/374874077.db2.gz XEAICTRHMIXQCR-OAHLLOKOSA-N 2 2 286.379 0.773 20 0 CCADLP CC[NH+](CC)[C@H](C)CNCc1c[nH+]c(N)nc1N ZINC000638337880 374938042 /nfs/dbraw/zinc/93/80/42/374938042.db2.gz LOZIXHQLWZJWBN-SECBINFHSA-N 2 2 252.366 0.122 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H](C)C[C@H](C)[NH3+])CC2 ZINC000638371844 374967625 /nfs/dbraw/zinc/96/76/25/374967625.db2.gz UARAIDQMAWUDMA-HOSYDEDBSA-N 2 2 264.373 0.996 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC2 ZINC000638371846 374968310 /nfs/dbraw/zinc/96/83/10/374968310.db2.gz UARAIDQMAWUDMA-JBLDHEPKSA-N 2 2 264.373 0.996 20 0 CCADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NCc1c[nH+]c(N)nc1N ZINC000638417494 375015875 /nfs/dbraw/zinc/01/58/75/375015875.db2.gz HWZRYICSISYKKF-TUAOUCFPSA-N 2 2 292.431 0.758 20 0 CCADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NCc1c[nH+]c(N)nc1N ZINC000638417494 375015878 /nfs/dbraw/zinc/01/58/78/375015878.db2.gz HWZRYICSISYKKF-TUAOUCFPSA-N 2 2 292.431 0.758 20 0 CCADLP [NH3+][C@H]1CC=C(C(=O)N(CC[NH+]2CCOCC2)CC2CC2)C1 ZINC000638427665 375024728 /nfs/dbraw/zinc/02/47/28/375024728.db2.gz XDGWUKJVQAGCKN-HNNXBMFYSA-N 2 2 293.411 0.605 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000638433430 375033875 /nfs/dbraw/zinc/03/38/75/375033875.db2.gz UAZVCTCSUNEDLH-SNVBAGLBSA-N 2 2 274.324 0.916 20 0 CCADLP CCN(CC[NH3+])C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000638516657 375107801 /nfs/dbraw/zinc/10/78/01/375107801.db2.gz GJUQLVBKSAEBHL-UHFFFAOYSA-N 2 2 291.399 0.011 20 0 CCADLP Cc1cc(NCCNC(=O)[C@@H](C)C[NH3+])nc(C(C)C)[nH+]1 ZINC000638582940 375163182 /nfs/dbraw/zinc/16/31/82/375163182.db2.gz DHQSATJOZDJNSF-JTQLQIEISA-N 2 2 279.388 0.453 20 0 CCADLP Cc1cc(NCCNC(=O)C2(C)C[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000638582720 375163351 /nfs/dbraw/zinc/16/33/51/375163351.db2.gz BZXLGWQRGZHPJK-UHFFFAOYSA-N 2 2 291.399 0.468 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000638529944 375119130 /nfs/dbraw/zinc/11/91/30/375119130.db2.gz VDDNTNUBMNPIRU-SOUVJXGZSA-N 3 2 290.411 0.137 20 0 CCADLP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638608845 375189536 /nfs/dbraw/zinc/18/95/36/375189536.db2.gz CEPJYHRCHXTHQI-STQMWFEESA-N 2 2 271.405 0.444 20 0 CCADLP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000638608845 375189542 /nfs/dbraw/zinc/18/95/42/375189542.db2.gz CEPJYHRCHXTHQI-STQMWFEESA-N 2 2 271.405 0.444 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1COCC[NH2+]1 ZINC000638610654 375192990 /nfs/dbraw/zinc/19/29/90/375192990.db2.gz CWRISTZQURLUDK-NSHDSACASA-N 2 2 266.345 0.111 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1C(F)F ZINC000638703368 375309022 /nfs/dbraw/zinc/30/90/22/375309022.db2.gz BEDCSGYWGFZAKL-NXEZZACHSA-N 2 2 263.332 0.912 20 0 CCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638927396 375463002 /nfs/dbraw/zinc/46/30/02/375463002.db2.gz UMQUVVOLFVOZDL-SDDRHHMPSA-N 2 2 260.341 0.408 20 0 CCADLP Nc1nc(-n2cccn2)cc(N2CC3CC2(C[NH3+])C3)[nH+]1 ZINC000656611062 412835261 /nfs/dbraw/zinc/83/52/61/412835261.db2.gz REENPSAKXPSRFI-UHFFFAOYSA-N 2 2 271.328 0.172 20 0 CCADLP C[NH+]1CCC(n2cc(NC(=O)[C@@H]3COCC[NH2+]3)cn2)CC1 ZINC000638978099 375492257 /nfs/dbraw/zinc/49/22/57/375492257.db2.gz UQSLBRPLZYWLGJ-ZDUSSCGKSA-N 2 2 293.371 0.077 20 0 CCADLP [NH3+][C@H](C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)C1CCC1 ZINC000638985443 375497501 /nfs/dbraw/zinc/49/75/01/375497501.db2.gz HLQKOQLGKHQXDI-AWEZNQCLSA-N 3 2 289.383 0.557 20 0 CCADLP COc1ccc(CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1O ZINC000639045884 375544658 /nfs/dbraw/zinc/54/46/58/375544658.db2.gz DPPPTLIGXYOYSR-LBPRGKRZSA-N 2 2 295.383 0.339 20 0 CCADLP CCC[NH2+]CCNC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000639134064 375593876 /nfs/dbraw/zinc/59/38/76/375593876.db2.gz BXBVOPAZYLEPMF-UHFFFAOYSA-N 2 2 265.361 0.716 20 0 CCADLP CN(CC[NH+](C)C)Cc1cc2c(c[nH+]1)OCCO2 ZINC000639167278 375614535 /nfs/dbraw/zinc/61/45/35/375614535.db2.gz CMAJLVMUVMVSBL-UHFFFAOYSA-N 2 2 251.330 0.846 20 0 CCADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cnc(N)nc2N)C1 ZINC000639177759 375620550 /nfs/dbraw/zinc/62/05/50/375620550.db2.gz FZPAKFVDWXYDIU-CMPLNLGQSA-N 2 2 276.388 0.218 20 0 CCADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cnc(N)nc2N)C1 ZINC000639177759 375620560 /nfs/dbraw/zinc/62/05/60/375620560.db2.gz FZPAKFVDWXYDIU-CMPLNLGQSA-N 2 2 276.388 0.218 20 0 CCADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cnc(N)nc2N)C1 ZINC000639177759 375620567 /nfs/dbraw/zinc/62/05/67/375620567.db2.gz FZPAKFVDWXYDIU-CMPLNLGQSA-N 2 2 276.388 0.218 20 0 CCADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cnc(N)nc2N)C1 ZINC000639177759 375620576 /nfs/dbraw/zinc/62/05/76/375620576.db2.gz FZPAKFVDWXYDIU-CMPLNLGQSA-N 2 2 276.388 0.218 20 0 CCADLP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000639217361 375638090 /nfs/dbraw/zinc/63/80/90/375638090.db2.gz GTZUZWSGGOQIJS-KFWWJZLASA-N 2 2 297.443 0.870 20 0 CCADLP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000639217361 375638092 /nfs/dbraw/zinc/63/80/92/375638092.db2.gz GTZUZWSGGOQIJS-KFWWJZLASA-N 2 2 297.443 0.870 20 0 CCADLP C[N@H+](Cc1ccccc1)C1CN(Cc2c[nH+]c(N)nc2N)C1 ZINC000639249867 375663880 /nfs/dbraw/zinc/66/38/80/375663880.db2.gz INYGWULBLZTBJF-UHFFFAOYSA-N 2 2 298.394 0.618 20 0 CCADLP C[N@@H+](Cc1ccccc1)C1CN(Cc2c[nH+]c(N)nc2N)C1 ZINC000639249867 375663888 /nfs/dbraw/zinc/66/38/88/375663888.db2.gz INYGWULBLZTBJF-UHFFFAOYSA-N 2 2 298.394 0.618 20 0 CCADLP Nc1nc(N)c(CN[C@@H]2CC[N@@H+](C3CCCCC3)C2)c[nH+]1 ZINC000639318067 375723778 /nfs/dbraw/zinc/72/37/78/375723778.db2.gz BHIAWBWSOKIXSM-GFCCVEGCSA-N 2 2 290.415 0.798 20 0 CCADLP Nc1nc(N)c(CN[C@@H]2CC[N@H+](C3CCCCC3)C2)c[nH+]1 ZINC000639318067 375723787 /nfs/dbraw/zinc/72/37/87/375723787.db2.gz BHIAWBWSOKIXSM-GFCCVEGCSA-N 2 2 290.415 0.798 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc(C2CC2)no1 ZINC000639347949 375748540 /nfs/dbraw/zinc/74/85/40/375748540.db2.gz ANJDUUNCBBUYPC-AWEZNQCLSA-N 2 2 292.383 0.981 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cc(C2CC2)no1 ZINC000639347949 375748546 /nfs/dbraw/zinc/74/85/46/375748546.db2.gz ANJDUUNCBBUYPC-AWEZNQCLSA-N 2 2 292.383 0.981 20 0 CCADLP CC[C@](C)(C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)OC ZINC000639350428 375749711 /nfs/dbraw/zinc/74/97/11/375749711.db2.gz XQCMBJHVPHQBSQ-GXTWGEPZSA-N 2 2 271.405 0.731 20 0 CCADLP CC[C@](C)(C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)OC ZINC000639350428 375749718 /nfs/dbraw/zinc/74/97/18/375749718.db2.gz XQCMBJHVPHQBSQ-GXTWGEPZSA-N 2 2 271.405 0.731 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000639491995 375808753 /nfs/dbraw/zinc/80/87/53/375808753.db2.gz VJAWOLNDCOIJJW-ZDUSSCGKSA-N 2 2 277.372 0.452 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCSC[C@@H]1CCO ZINC000639516405 375818247 /nfs/dbraw/zinc/81/82/47/375818247.db2.gz GOBIIZLPMUYKOW-LBPRGKRZSA-N 2 2 255.387 0.762 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCSC[C@@H]1CCO ZINC000639516405 375818250 /nfs/dbraw/zinc/81/82/50/375818250.db2.gz GOBIIZLPMUYKOW-LBPRGKRZSA-N 2 2 255.387 0.762 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CCc2cnccn2)CC1 ZINC000639541311 375828583 /nfs/dbraw/zinc/82/85/83/375828583.db2.gz KTZRPPOTVZPBOR-UHFFFAOYSA-N 2 2 272.356 0.575 20 0 CCADLP CC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000639553898 375833733 /nfs/dbraw/zinc/83/37/33/375833733.db2.gz QYQNFKMBQKZAHJ-JSGCOSHPSA-N 2 2 253.390 0.533 20 0 CCADLP CC(=O)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000639553898 375833736 /nfs/dbraw/zinc/83/37/36/375833736.db2.gz QYQNFKMBQKZAHJ-JSGCOSHPSA-N 2 2 253.390 0.533 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+](C)C[C@@H](O)C(F)(F)F ZINC000639561944 375837698 /nfs/dbraw/zinc/83/76/98/375837698.db2.gz PYMOPPNYGJBTGZ-SECBINFHSA-N 2 2 251.252 0.818 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000639561944 375837704 /nfs/dbraw/zinc/83/77/04/375837704.db2.gz PYMOPPNYGJBTGZ-SECBINFHSA-N 2 2 251.252 0.818 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC2(C1)CCCOC2 ZINC000656699865 412842691 /nfs/dbraw/zinc/84/26/91/412842691.db2.gz IWIADVYDNIYCKA-CYBMUJFWSA-N 2 2 256.390 0.800 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC2(C1)CCCOC2 ZINC000656699865 412842693 /nfs/dbraw/zinc/84/26/93/412842693.db2.gz IWIADVYDNIYCKA-CYBMUJFWSA-N 2 2 256.390 0.800 20 0 CCADLP C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1CCc1c[nH+]cn1C ZINC000639640316 375880187 /nfs/dbraw/zinc/88/01/87/375880187.db2.gz CCRPQLLIICENFH-ZFWWWQNUSA-N 2 2 278.400 0.758 20 0 CCADLP C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1CCc1c[nH+]cn1C ZINC000639640316 375880193 /nfs/dbraw/zinc/88/01/93/375880193.db2.gz CCRPQLLIICENFH-ZFWWWQNUSA-N 2 2 278.400 0.758 20 0 CCADLP Cc1cc(C)c(C[N@H+]2C[C@H](CO)[C@H](O)C2)c(C)[nH+]1 ZINC000639670246 375901676 /nfs/dbraw/zinc/90/16/76/375901676.db2.gz DIBNORHCYPOAFD-TZMCWYRMSA-N 2 2 250.342 0.792 20 0 CCADLP Cc1cc(C)c(C[N@@H+]2C[C@H](CO)[C@H](O)C2)c(C)[nH+]1 ZINC000639670246 375901681 /nfs/dbraw/zinc/90/16/81/375901681.db2.gz DIBNORHCYPOAFD-TZMCWYRMSA-N 2 2 250.342 0.792 20 0 CCADLP CC[N@H+](C)C[C@H](O)CN[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000639774228 376004162 /nfs/dbraw/zinc/00/41/62/376004162.db2.gz ZTEULZUABMXIHG-OLZOCXBDSA-N 2 2 298.431 0.382 20 0 CCADLP CC[N@@H+](C)C[C@H](O)CN[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000639774228 376004169 /nfs/dbraw/zinc/00/41/69/376004169.db2.gz ZTEULZUABMXIHG-OLZOCXBDSA-N 2 2 298.431 0.382 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCOC2CCC2)C1 ZINC000639761815 375988408 /nfs/dbraw/zinc/98/84/08/375988408.db2.gz FEBNUXSLSYICKE-CQSZACIVSA-N 2 2 256.390 0.944 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCOC2CCC2)C1 ZINC000639761815 375988419 /nfs/dbraw/zinc/98/84/19/375988419.db2.gz FEBNUXSLSYICKE-CQSZACIVSA-N 2 2 256.390 0.944 20 0 CCADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000262131064 190049295 /nfs/dbraw/zinc/04/92/95/190049295.db2.gz GLQRVHYARQHYKO-PWSUYJOCSA-N 2 2 278.356 0.493 20 0 CCADLP Cc1ncccc1C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051278 376216213 /nfs/dbraw/zinc/21/62/13/376216213.db2.gz MNRGZCLNBZYSQO-UHFFFAOYSA-N 2 2 276.384 0.596 20 0 CCADLP Cc1ncccc1C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051278 376216219 /nfs/dbraw/zinc/21/62/19/376216219.db2.gz MNRGZCLNBZYSQO-UHFFFAOYSA-N 2 2 276.384 0.596 20 0 CCADLP C[N@@H+](CCCC1CCOCC1)CC(=O)N1CC[NH+](C)CC1 ZINC000640051204 376217172 /nfs/dbraw/zinc/21/71/72/376217172.db2.gz LGFPTUHZLRINGG-UHFFFAOYSA-N 2 2 297.443 0.899 20 0 CCADLP Cc1cnccc1CC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051742 376218545 /nfs/dbraw/zinc/21/85/45/376218545.db2.gz YKRSRNHBWKUEPG-UHFFFAOYSA-N 2 2 290.411 0.638 20 0 CCADLP Cc1cnccc1CC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051742 376218551 /nfs/dbraw/zinc/21/85/51/376218551.db2.gz YKRSRNHBWKUEPG-UHFFFAOYSA-N 2 2 290.411 0.638 20 0 CCADLP CO[C@@H](C[N@H+](C)CC(=O)N1CC[NH+](C)CC1)C1CCC1 ZINC000640059946 376222070 /nfs/dbraw/zinc/22/20/70/376222070.db2.gz FBNVOOACKBYRBS-AWEZNQCLSA-N 2 2 283.416 0.507 20 0 CCADLP CO[C@@H](C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1)C1CCC1 ZINC000640059946 376222075 /nfs/dbraw/zinc/22/20/75/376222075.db2.gz FBNVOOACKBYRBS-AWEZNQCLSA-N 2 2 283.416 0.507 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000640320892 376309695 /nfs/dbraw/zinc/30/96/95/376309695.db2.gz XQMPGBGOYBFHMV-JHJVBQTASA-N 2 2 292.383 0.097 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)Cn2cc[nH+]c2)C1 ZINC000264475439 190112694 /nfs/dbraw/zinc/11/26/94/190112694.db2.gz MHBNXUMYBLLTJW-OLZOCXBDSA-N 2 2 295.387 0.292 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)N[C@H](C)Cn2cc[nH+]c2)C1 ZINC000264475439 190112695 /nfs/dbraw/zinc/11/26/95/190112695.db2.gz MHBNXUMYBLLTJW-OLZOCXBDSA-N 2 2 295.387 0.292 20 0 CCADLP Cc1ccc(Cn2cc(CC[C@H](O)C[NH3+])nn2)c(C)[nH+]1 ZINC000641097159 376777551 /nfs/dbraw/zinc/77/75/51/376777551.db2.gz XUCRDOWZSHNSAJ-AWEZNQCLSA-N 2 2 275.356 0.590 20 0 CCADLP COC[C@H](O)C[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000569111841 291650869 /nfs/dbraw/zinc/65/08/69/291650869.db2.gz XTGYPLACWDSYMG-VXGBXAGGSA-N 2 2 253.346 0.666 20 0 CCADLP COC[C@@H]([NH3+])Cc1cn(Cc2cc(OC)cc(C)[nH+]2)nn1 ZINC000641155160 376818468 /nfs/dbraw/zinc/81/84/68/376818468.db2.gz PWNPPFCCMOAQRB-NSHDSACASA-N 2 2 291.355 0.555 20 0 CCADLP CN(C)c1ccc(Cn2cc(COCC[NH3+])nn2)c[nH+]1 ZINC000641177307 376846627 /nfs/dbraw/zinc/84/66/27/376846627.db2.gz HFDMFIYMCABIBS-UHFFFAOYSA-N 2 2 276.344 0.263 20 0 CCADLP O=C(C[NH+]1CCCC1)N1CCN(c2cc[nH+]cc2F)CC1 ZINC000641342943 377013088 /nfs/dbraw/zinc/01/30/88/377013088.db2.gz GWYKVTGJPAEWLR-UHFFFAOYSA-N 2 2 292.358 0.965 20 0 CCADLP O=S(=O)(CCn1cc[nH+]c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000641313726 376986919 /nfs/dbraw/zinc/98/69/19/376986919.db2.gz APALJZBDDOGUTN-CYBMUJFWSA-N 2 2 298.412 0.383 20 0 CCADLP C[C@@H](CNc1cc(CO)cc[nH+]1)C[NH+]1CCOCC1 ZINC000641386595 377056626 /nfs/dbraw/zinc/05/66/26/377056626.db2.gz HGWPRTXTMRJSKI-LBPRGKRZSA-N 2 2 265.357 0.954 20 0 CCADLP CN([C@H]1C[NH+]2CCC1CC2)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641541387 377243872 /nfs/dbraw/zinc/24/38/72/377243872.db2.gz BUFSUEPVULOMFD-ZDUSSCGKSA-N 2 2 298.412 0.239 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000641772543 377455572 /nfs/dbraw/zinc/45/55/72/377455572.db2.gz QNIBCUWXQPYIQX-OAHLLOKOSA-N 2 2 293.411 0.968 20 0 CCADLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCS(=O)(=O)c1ccccn1 ZINC000641800311 377469970 /nfs/dbraw/zinc/46/99/70/377469970.db2.gz AONQSGVLFZXOOW-QWRGUYRKSA-N 2 2 283.397 0.571 20 0 CCADLP O=C(/C=C/c1[nH]cc[nH+]1)NC[C@H]1CCCC[N@H+]1CCO ZINC000493193559 249085134 /nfs/dbraw/zinc/08/51/34/249085134.db2.gz SVOPLKRWTSRZTO-ZYOFXKKJSA-N 2 2 278.356 0.386 20 0 CCADLP O=C(/C=C/c1[nH]cc[nH+]1)NC[C@H]1CCCC[N@@H+]1CCO ZINC000493193559 249085136 /nfs/dbraw/zinc/08/51/36/249085136.db2.gz SVOPLKRWTSRZTO-ZYOFXKKJSA-N 2 2 278.356 0.386 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000514599794 249092509 /nfs/dbraw/zinc/09/25/09/249092509.db2.gz HRBOLJISJRXRFI-NSHDSACASA-N 2 2 277.372 0.194 20 0 CCADLP CO[C@@H]1CC[C@H]([NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000516050329 249149894 /nfs/dbraw/zinc/14/98/94/249149894.db2.gz SLPIEKKCTKDHHX-YYFQZIEXSA-N 2 2 286.416 0.614 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC000516323251 249162234 /nfs/dbraw/zinc/16/22/34/249162234.db2.gz IBZYWMDTDXJLFE-NSHDSACASA-N 2 2 276.340 0.358 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC000516323251 249162238 /nfs/dbraw/zinc/16/22/38/249162238.db2.gz IBZYWMDTDXJLFE-NSHDSACASA-N 2 2 276.340 0.358 20 0 CCADLP Cc1noc(C)c1[C@@H](C)CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000515842270 249145341 /nfs/dbraw/zinc/14/53/41/249145341.db2.gz VILMQWWGYZEMDI-GWCFXTLKSA-N 2 2 294.399 0.886 20 0 CCADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC000516770808 249178491 /nfs/dbraw/zinc/17/84/91/249178491.db2.gz NZWQQXGOXHSDDG-AAEUAGOBSA-N 2 2 257.378 0.245 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCCS2)[C@@H](C[NH3+])C1 ZINC000518345858 249246825 /nfs/dbraw/zinc/24/68/25/249246825.db2.gz WTFFKGWLRHPEIV-QWRGUYRKSA-N 2 2 272.418 0.166 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCCS2)[C@@H](C[NH3+])C1 ZINC000518345858 249246827 /nfs/dbraw/zinc/24/68/27/249246827.db2.gz WTFFKGWLRHPEIV-QWRGUYRKSA-N 2 2 272.418 0.166 20 0 CCADLP Nc1nc(-n2cccn2)cc(N2CC[C@@H]3CC[NH2+][C@H]3C2)[nH+]1 ZINC000643031134 377696691 /nfs/dbraw/zinc/69/66/91/377696691.db2.gz HVGXVDJTZOXOFS-QWRGUYRKSA-N 2 2 285.355 0.263 20 0 CCADLP C[N@@H+]1CCc2ncnc(NCC[C@H]3CCC[NH2+]C3)c2C1 ZINC000643007203 377688621 /nfs/dbraw/zinc/68/86/21/377688621.db2.gz MUXFYEGZJNJNTB-GFCCVEGCSA-N 2 2 275.400 0.688 20 0 CCADLP C[N@H+]1CCc2ncnc(NCC[C@H]3CCC[NH2+]C3)c2C1 ZINC000643007203 377688624 /nfs/dbraw/zinc/68/86/24/377688624.db2.gz MUXFYEGZJNJNTB-GFCCVEGCSA-N 2 2 275.400 0.688 20 0 CCADLP C[C@H]1CCN(c2cc(N3CCOCC3)nc[nH+]2)C[C@H]1C[NH3+] ZINC000643052224 377706327 /nfs/dbraw/zinc/70/63/27/377706327.db2.gz FXJQRRWOXYJVDF-QWHCGFSZSA-N 2 2 291.399 0.734 20 0 CCADLP C[C@H]1CCN(c2cc(N3CCOCC3)[nH+]cn2)C[C@H]1C[NH3+] ZINC000643052224 377706330 /nfs/dbraw/zinc/70/63/30/377706330.db2.gz FXJQRRWOXYJVDF-QWHCGFSZSA-N 2 2 291.399 0.734 20 0 CCADLP Cc1cc(NC(=O)CC[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)no1 ZINC000643066136 377711477 /nfs/dbraw/zinc/71/14/77/377711477.db2.gz KSWYHCKQZPBHGE-VXGBXAGGSA-N 2 2 278.356 0.417 20 0 CCADLP Cc1cc(NC(=O)CC[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)no1 ZINC000643066136 377711482 /nfs/dbraw/zinc/71/14/82/377711482.db2.gz KSWYHCKQZPBHGE-VXGBXAGGSA-N 2 2 278.356 0.417 20 0 CCADLP CC(C)NS(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000657071212 412883215 /nfs/dbraw/zinc/88/32/15/412883215.db2.gz IWESQXWIHZXYAW-LBPRGKRZSA-N 2 2 294.465 0.091 20 0 CCADLP CC(C)NS(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000657071212 412883216 /nfs/dbraw/zinc/88/32/16/412883216.db2.gz IWESQXWIHZXYAW-LBPRGKRZSA-N 2 2 294.465 0.091 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC000574694319 335040422 /nfs/dbraw/zinc/04/04/22/335040422.db2.gz KREDYINFZXJSSW-UONOGXRCSA-N 3 2 296.459 0.504 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC000574694319 335040423 /nfs/dbraw/zinc/04/04/23/335040423.db2.gz KREDYINFZXJSSW-UONOGXRCSA-N 3 2 296.459 0.504 20 0 CCADLP Cn1ncc2c1nc(NCC1=CC[N@H+](C)CC1)[nH+]c2N ZINC000278495466 194010964 /nfs/dbraw/zinc/01/09/64/194010964.db2.gz WQHUIBJDEVNINL-UHFFFAOYSA-N 2 2 273.344 0.619 20 0 CCADLP Cn1ncc2c1nc(NCC1=CC[N@@H+](C)CC1)[nH+]c2N ZINC000278495466 194010967 /nfs/dbraw/zinc/01/09/67/194010967.db2.gz WQHUIBJDEVNINL-UHFFFAOYSA-N 2 2 273.344 0.619 20 0 CCADLP CCC[C@H](O)C[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000570162607 291738344 /nfs/dbraw/zinc/73/83/44/291738344.db2.gz MIGYQPSMEFXCKX-XUXIUFHCSA-N 2 2 274.405 0.207 20 0 CCADLP O=C1NCCC[C@@H]1C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000657285050 412953201 /nfs/dbraw/zinc/95/32/01/412953201.db2.gz ZESBRBGCSLNDPD-LLVKDONJSA-N 2 2 258.325 0.950 20 0 CCADLP O=C(NCc1cn2ccccc2[nH+]1)N[C@@H]1CCC[NH2+]C1 ZINC000334908209 207274540 /nfs/dbraw/zinc/27/45/40/207274540.db2.gz JOBKHHSLLIQMHQ-LLVKDONJSA-N 2 2 273.340 0.886 20 0 CCADLP Cc1[nH+]ccn1CC[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657338488 412959792 /nfs/dbraw/zinc/95/97/92/412959792.db2.gz YEUXCIRYYDSIKX-UHFFFAOYSA-N 2 2 263.349 0.723 20 0 CCADLP CC[NH+]1CCC(NC(=O)NCc2[nH+]ccn2C)CC1 ZINC000264080234 535469291 /nfs/dbraw/zinc/46/92/91/535469291.db2.gz RBTKAXSMHGFCQO-UHFFFAOYSA-N 2 2 265.361 0.704 20 0 CCADLP CN(CCC[N@H+](C)Cc1nccc(N)n1)CC[NH+](C)C ZINC000289525678 197390361 /nfs/dbraw/zinc/39/03/61/197390361.db2.gz VYVBRHUFTAJYEL-UHFFFAOYSA-N 2 2 280.420 0.374 20 0 CCADLP CN(CCC[N@@H+](C)Cc1nccc(N)n1)CC[NH+](C)C ZINC000289525678 197390362 /nfs/dbraw/zinc/39/03/62/197390362.db2.gz VYVBRHUFTAJYEL-UHFFFAOYSA-N 2 2 280.420 0.374 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247115198 285043161 /nfs/dbraw/zinc/04/31/61/285043161.db2.gz YNOMNFSAJOFNQG-QWRGUYRKSA-N 2 2 270.377 0.247 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247115198 285043162 /nfs/dbraw/zinc/04/31/62/285043162.db2.gz YNOMNFSAJOFNQG-QWRGUYRKSA-N 2 2 270.377 0.247 20 0 CCADLP CCNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247115198 285043164 /nfs/dbraw/zinc/04/31/64/285043164.db2.gz YNOMNFSAJOFNQG-QWRGUYRKSA-N 2 2 270.377 0.247 20 0 CCADLP CCNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247115198 285043166 /nfs/dbraw/zinc/04/31/66/285043166.db2.gz YNOMNFSAJOFNQG-QWRGUYRKSA-N 2 2 270.377 0.247 20 0 CCADLP O=S1(=O)CCC[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000069136872 285061178 /nfs/dbraw/zinc/06/11/78/285061178.db2.gz FSCRZKNAPJDJJN-NEPJUHHUSA-N 2 2 272.414 0.638 20 0 CCADLP O=S1(=O)CCC[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000069136872 285061179 /nfs/dbraw/zinc/06/11/79/285061179.db2.gz FSCRZKNAPJDJJN-NEPJUHHUSA-N 2 2 272.414 0.638 20 0 CCADLP [NH3+]Cc1noc(CC2([NH+]3CCOCC3)CCCC2)n1 ZINC000571880595 291843235 /nfs/dbraw/zinc/84/32/35/291843235.db2.gz NJLANPVDCFETAU-UHFFFAOYSA-N 2 2 266.345 0.716 20 0 CCADLP CC(C)N1C[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)CC1=O ZINC000657370878 412973145 /nfs/dbraw/zinc/97/31/45/412973145.db2.gz MNJAGKMKJCQKOW-NSHDSACASA-N 2 2 262.357 0.928 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCS(=O)(=O)NC(C)(C)C ZINC000571908658 291845661 /nfs/dbraw/zinc/84/56/61/291845661.db2.gz PCGGSBHOLIWUAR-QWRGUYRKSA-N 2 2 277.434 0.292 20 0 CCADLP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C[NH+](C)C ZINC000423600343 533027942 /nfs/dbraw/zinc/02/79/42/533027942.db2.gz CPWJYLXKTWBDJL-CYBMUJFWSA-N 2 2 277.368 0.730 20 0 CCADLP CC(C)N1CC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1=O ZINC000657361366 412975070 /nfs/dbraw/zinc/97/50/70/412975070.db2.gz BBJGAVVZSPPZKV-LBPRGKRZSA-N 2 2 262.357 0.928 20 0 CCADLP Cc1c[nH]c(CNCC2([NH+](C)C)CCOCC2)[nH+]1 ZINC000657360912 412975188 /nfs/dbraw/zinc/97/51/88/412975188.db2.gz CTMLPACXASNDGZ-UHFFFAOYSA-N 2 2 252.362 0.919 20 0 CCADLP [NH3+][C@@H](C(=O)NC1CC[NH2+]CC1)c1c(F)cccc1F ZINC000335378685 208317268 /nfs/dbraw/zinc/31/72/68/208317268.db2.gz GCXOSSGWYPITAJ-GFCCVEGCSA-N 2 2 269.295 0.833 20 0 CCADLP [NH3+][C@H](C(=O)N1CC[C@@H]([NH3+])C1)c1c(F)cccc1F ZINC000335391060 208355811 /nfs/dbraw/zinc/35/58/11/208355811.db2.gz SJJQSEJXLIDGBG-HQJQHLMTSA-N 2 2 255.268 0.524 20 0 CCADLP CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657420788 412985996 /nfs/dbraw/zinc/98/59/96/412985996.db2.gz ABCJVXLRVZDSFC-NWDGAFQWSA-N 2 2 262.357 0.834 20 0 CCADLP COCC(C)(C)[NH+]1CCN(CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000425500878 533094581 /nfs/dbraw/zinc/09/45/81/533094581.db2.gz CTODGOAKGIZNDV-OAHLLOKOSA-N 2 2 299.459 0.750 20 0 CCADLP COCC(C)(C)[NH+]1CCN(CC[N@H+]2CCOC[C@H]2C)CC1 ZINC000425500878 533094591 /nfs/dbraw/zinc/09/45/91/533094591.db2.gz CTODGOAKGIZNDV-OAHLLOKOSA-N 2 2 299.459 0.750 20 0 CCADLP C[N@@H+]1CCN(CC[NH2+]Cc2c[nH+]c3n2CCC3)CC1(C)C ZINC000657458978 412998330 /nfs/dbraw/zinc/99/83/30/412998330.db2.gz SMAYBIYWVSBLAB-UHFFFAOYSA-N 3 2 291.443 0.945 20 0 CCADLP C[N@H+]1CCN(CC[NH2+]Cc2c[nH+]c3n2CCC3)CC1(C)C ZINC000657458978 412998335 /nfs/dbraw/zinc/99/83/35/412998335.db2.gz SMAYBIYWVSBLAB-UHFFFAOYSA-N 3 2 291.443 0.945 20 0 CCADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000572652292 291894689 /nfs/dbraw/zinc/89/46/89/291894689.db2.gz RHIWEAHGXGEITM-HNNXBMFYSA-N 2 2 263.385 0.779 20 0 CCADLP C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1)[C@H]1CCC[NH2+]1 ZINC000572713002 291898134 /nfs/dbraw/zinc/89/81/34/291898134.db2.gz XYYRKUMZKBOJLN-GXTWGEPZSA-N 2 2 297.424 0.695 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)no1 ZINC000397242240 285234954 /nfs/dbraw/zinc/23/49/54/285234954.db2.gz MLOFHZYCEMLHLW-SCVCMEIPSA-N 2 2 280.372 0.649 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)no1 ZINC000397242240 285234955 /nfs/dbraw/zinc/23/49/55/285234955.db2.gz MLOFHZYCEMLHLW-SCVCMEIPSA-N 2 2 280.372 0.649 20 0 CCADLP NC(=O)NC(=O)CC[NH2+]Cc1ccn2cc[nH+]c2c1 ZINC000574869067 335053420 /nfs/dbraw/zinc/05/34/20/335053420.db2.gz LUUPQBBCYMEWKY-UHFFFAOYSA-N 2 2 261.285 0.009 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC2C(C)(C)C2(C)C)[C@H](C[NH3+])C1 ZINC000520772144 285270430 /nfs/dbraw/zinc/27/04/30/285270430.db2.gz VLDBZGHCUZXROA-LLVKDONJSA-N 2 2 282.432 0.953 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC2C(C)(C)C2(C)C)[C@H](C[NH3+])C1 ZINC000520772144 285270433 /nfs/dbraw/zinc/27/04/33/285270433.db2.gz VLDBZGHCUZXROA-LLVKDONJSA-N 2 2 282.432 0.953 20 0 CCADLP Cn1ncc2c1nc(NCC[C@H]1CCC[NH2+]C1)[nH+]c2N ZINC000521845227 285290200 /nfs/dbraw/zinc/29/02/00/285290200.db2.gz AKWNXERNSKTQPK-SECBINFHSA-N 2 2 275.360 0.169 20 0 CCADLP Cn1ccc2c1cccc2C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000521890980 285295029 /nfs/dbraw/zinc/29/50/29/285295029.db2.gz LHBQDDUDYMLFIA-GFCCVEGCSA-N 2 2 286.379 0.893 20 0 CCADLP Cn1ccc2c1cccc2C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000521890980 285295033 /nfs/dbraw/zinc/29/50/33/285295033.db2.gz LHBQDDUDYMLFIA-GFCCVEGCSA-N 2 2 286.379 0.893 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC000184541071 388774037 /nfs/dbraw/zinc/77/40/37/388774037.db2.gz KVQOIBFASBLLKN-UHFFFAOYSA-N 2 2 286.420 0.036 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC000184541071 388774040 /nfs/dbraw/zinc/77/40/40/388774040.db2.gz KVQOIBFASBLLKN-UHFFFAOYSA-N 2 2 286.420 0.036 20 0 CCADLP C[N@H+](CC(=O)NC(=O)NC1CCCC1)C1CC[NH2+]CC1 ZINC000036300479 388843784 /nfs/dbraw/zinc/84/37/84/388843784.db2.gz MVYQCQGTTNRWHR-UHFFFAOYSA-N 2 2 282.388 0.439 20 0 CCADLP C[N@@H+](CC(=O)NC(=O)NC1CCCC1)C1CC[NH2+]CC1 ZINC000036300479 388843787 /nfs/dbraw/zinc/84/37/87/388843787.db2.gz MVYQCQGTTNRWHR-UHFFFAOYSA-N 2 2 282.388 0.439 20 0 CCADLP COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1CCCc1c[nH+]ccc1C ZINC000289683473 388882025 /nfs/dbraw/zinc/88/20/25/388882025.db2.gz MVCLUATUNPUFMT-KBPBESRZSA-N 2 2 278.352 0.931 20 0 CCADLP COC(=O)[C@@H]1C[C@H](O)C[N@H+]1CCCc1c[nH+]ccc1C ZINC000289683473 388882026 /nfs/dbraw/zinc/88/20/26/388882026.db2.gz MVCLUATUNPUFMT-KBPBESRZSA-N 2 2 278.352 0.931 20 0 CCADLP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCCn1cc[nH+]c1 ZINC000289832325 388896640 /nfs/dbraw/zinc/89/66/40/388896640.db2.gz DQUXPYPDZYMZKG-VXGBXAGGSA-N 2 2 250.346 0.633 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000289590803 388875627 /nfs/dbraw/zinc/87/56/27/388875627.db2.gz NBASMKDMKQUSEB-LBPRGKRZSA-N 2 2 278.356 0.272 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000290764528 388912421 /nfs/dbraw/zinc/91/24/21/388912421.db2.gz QGXUQMMWGRMEMZ-UHFFFAOYSA-N 2 2 295.387 0.330 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000290764528 388912422 /nfs/dbraw/zinc/91/24/22/388912422.db2.gz QGXUQMMWGRMEMZ-UHFFFAOYSA-N 2 2 295.387 0.330 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1c[nH+]cn1C ZINC000290802260 388913618 /nfs/dbraw/zinc/91/36/18/388913618.db2.gz UWCJDVPBAKDXLW-GXFFZTMASA-N 2 2 277.372 0.702 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1c[nH+]cn1C ZINC000290802260 388913622 /nfs/dbraw/zinc/91/36/22/388913622.db2.gz UWCJDVPBAKDXLW-GXFFZTMASA-N 2 2 277.372 0.702 20 0 CCADLP C[C@H](NC(=O)CCn1cc[nH+]c1)[C@H]1CCC[NH2+]C1 ZINC000050162624 388925130 /nfs/dbraw/zinc/92/51/30/388925130.db2.gz BDOZVTWUEGDOST-RYUDHWBXSA-N 2 2 250.346 0.778 20 0 CCADLP C[C@H](CNc1[nH+]cnc(-n2cccn2)c1N)C[NH+](C)C ZINC000291646491 388932452 /nfs/dbraw/zinc/93/24/52/388932452.db2.gz BNCWZGWJMLHIRC-SNVBAGLBSA-N 2 2 275.360 0.854 20 0 CCADLP CC(C)(CNC(=O)[C@@]1(C)CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000062859054 388940720 /nfs/dbraw/zinc/94/07/20/388940720.db2.gz WJJYWUARNUXQNZ-HNNXBMFYSA-N 2 2 283.416 0.603 20 0 CCADLP CN(CC1CC[NH+](C)CC1)C(=O)NCc1c[nH+]cn1C ZINC000292020313 388944367 /nfs/dbraw/zinc/94/43/67/388944367.db2.gz PFADTIORKSKTPM-UHFFFAOYSA-N 2 2 279.388 0.903 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000292401201 388950039 /nfs/dbraw/zinc/95/00/39/388950039.db2.gz RSWORDNGZIUHCJ-UHFFFAOYSA-N 2 2 277.372 0.800 20 0 CCADLP C[NH+](C)CCNC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000083419787 389002544 /nfs/dbraw/zinc/00/25/44/389002544.db2.gz NHYHGBPQBGYFOE-NSHDSACASA-N 2 2 257.284 0.642 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000295355906 389003587 /nfs/dbraw/zinc/00/35/87/389003587.db2.gz ZCJWDXBBVUYOLS-CQSZACIVSA-N 2 2 291.395 0.986 20 0 CCADLP C[C@H]1CN(CC[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CCO1 ZINC000191511429 389012509 /nfs/dbraw/zinc/01/25/09/389012509.db2.gz JAHGPYOGHXUHDW-HOTGVXAUSA-N 2 2 297.443 0.361 20 0 CCADLP C[C@H]1CN(CC[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CCO1 ZINC000191511429 389012511 /nfs/dbraw/zinc/01/25/11/389012511.db2.gz JAHGPYOGHXUHDW-HOTGVXAUSA-N 2 2 297.443 0.361 20 0 CCADLP C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)nc1)[NH+](C)C ZINC000298396456 389016264 /nfs/dbraw/zinc/01/62/64/389016264.db2.gz FNHAXKKHKYEXFN-NSHDSACASA-N 2 2 273.340 0.947 20 0 CCADLP CC(C)[NH+]1CCC([N@H+](C)CCS(=O)(=O)N(C)C)CC1 ZINC000336813969 389023040 /nfs/dbraw/zinc/02/30/40/389023040.db2.gz VZVSDQNVUGHCFU-UHFFFAOYSA-N 2 2 291.461 0.682 20 0 CCADLP CC(C)[NH+]1CCC([N@@H+](C)CCS(=O)(=O)N(C)C)CC1 ZINC000336813969 389023046 /nfs/dbraw/zinc/02/30/46/389023046.db2.gz VZVSDQNVUGHCFU-UHFFFAOYSA-N 2 2 291.461 0.682 20 0 CCADLP C[C@@H]1COCC[C@@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000192624377 389046607 /nfs/dbraw/zinc/04/66/07/389046607.db2.gz YVQGRLJCMVBFQA-HIFRSBDPSA-N 2 2 297.443 0.801 20 0 CCADLP C[NH+](C)CC(=O)N1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000301510159 389053418 /nfs/dbraw/zinc/05/34/18/389053418.db2.gz KIKCBAHQVVSTMA-UHFFFAOYSA-N 2 2 282.775 0.945 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000355308350 389057537 /nfs/dbraw/zinc/05/75/37/389057537.db2.gz ASCWSGIYQNLRNS-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000355308350 389057538 /nfs/dbraw/zinc/05/75/38/389057538.db2.gz ASCWSGIYQNLRNS-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP COCCCNC(=O)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000355345451 389063407 /nfs/dbraw/zinc/06/34/07/389063407.db2.gz FITVHSTZMNNRSB-OAHLLOKOSA-N 2 2 297.443 0.803 20 0 CCADLP COCCCNC(=O)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000355345451 389063409 /nfs/dbraw/zinc/06/34/09/389063409.db2.gz FITVHSTZMNNRSB-OAHLLOKOSA-N 2 2 297.443 0.803 20 0 CCADLP COCCCNC(=O)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000355345451 389063411 /nfs/dbraw/zinc/06/34/11/389063411.db2.gz FITVHSTZMNNRSB-OAHLLOKOSA-N 2 2 297.443 0.803 20 0 CCADLP COCCCNC(=O)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000355345451 389063414 /nfs/dbraw/zinc/06/34/14/389063414.db2.gz FITVHSTZMNNRSB-OAHLLOKOSA-N 2 2 297.443 0.803 20 0 CCADLP COCC[N@H+]1[C@H](C)CN(c2cc[nH+]cc2C(N)=O)C[C@@H]1C ZINC000302158778 389063791 /nfs/dbraw/zinc/06/37/91/389063791.db2.gz ONARFNKOWYFSPE-TXEJJXNPSA-N 2 2 292.383 0.726 20 0 CCADLP COCC[N@@H+]1[C@H](C)CN(c2cc[nH+]cc2C(N)=O)C[C@@H]1C ZINC000302158778 389063794 /nfs/dbraw/zinc/06/37/94/389063794.db2.gz ONARFNKOWYFSPE-TXEJJXNPSA-N 2 2 292.383 0.726 20 0 CCADLP CC[NH+](CC)CCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338140118 389078365 /nfs/dbraw/zinc/07/83/65/389078365.db2.gz WCPWMEWICGVTOS-UHFFFAOYSA-N 2 2 271.405 0.555 20 0 CCADLP CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000338164101 389082283 /nfs/dbraw/zinc/08/22/83/389082283.db2.gz PNISHLMGTXPRDX-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP CC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000338164101 389082286 /nfs/dbraw/zinc/08/22/86/389082286.db2.gz PNISHLMGTXPRDX-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP CC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000338187216 389086967 /nfs/dbraw/zinc/08/69/67/389086967.db2.gz PVXNJHISWZEZTJ-CQSZACIVSA-N 2 2 297.443 0.945 20 0 CCADLP CC[N@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000338187216 389086969 /nfs/dbraw/zinc/08/69/69/389086969.db2.gz PVXNJHISWZEZTJ-CQSZACIVSA-N 2 2 297.443 0.945 20 0 CCADLP C[NH+](C)CCCCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338196305 389088733 /nfs/dbraw/zinc/08/87/33/389088733.db2.gz JQTPWFSZVUCWLD-UHFFFAOYSA-N 2 2 271.405 0.555 20 0 CCADLP C[NH+]1CCC(CNC(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000338200328 389089604 /nfs/dbraw/zinc/08/96/04/389089604.db2.gz UHMDPRQZVSOYCY-UHFFFAOYSA-N 2 2 283.416 0.555 20 0 CCADLP CN(C)C(=O)N1CCC([NH2+]C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000223605032 389144326 /nfs/dbraw/zinc/14/43/26/389144326.db2.gz UDPWTSRCLUXYQO-ZDUSSCGKSA-N 2 2 268.405 0.816 20 0 CCADLP CN(C)C(=O)N1CCC([NH2+]C[C@@H]2CCC[N@H+]2C)CC1 ZINC000223605032 389144329 /nfs/dbraw/zinc/14/43/29/389144329.db2.gz UDPWTSRCLUXYQO-ZDUSSCGKSA-N 2 2 268.405 0.816 20 0 CCADLP CO[C@@](C)(C[NH2+]CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000311584591 389103485 /nfs/dbraw/zinc/10/34/85/389103485.db2.gz PHXOMITVEOSIAB-AWEZNQCLSA-N 2 2 269.389 0.165 20 0 CCADLP CCC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@H]1CC(=O)N(C)C1=O ZINC000338322612 389108350 /nfs/dbraw/zinc/10/83/50/389108350.db2.gz KWCTVSQKJRBHGP-STQMWFEESA-N 2 2 281.400 0.940 20 0 CCADLP CCC[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@H]1CC(=O)N(C)C1=O ZINC000338322612 389108352 /nfs/dbraw/zinc/10/83/52/389108352.db2.gz KWCTVSQKJRBHGP-STQMWFEESA-N 2 2 281.400 0.940 20 0 CCADLP CCC[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@H]1CC(=O)N(C)C1=O ZINC000338322612 389108354 /nfs/dbraw/zinc/10/83/54/389108354.db2.gz KWCTVSQKJRBHGP-STQMWFEESA-N 2 2 281.400 0.940 20 0 CCADLP CCC[NH+](CC[C@@H]1CCC[N@H+]1C)[C@H]1CC(=O)N(C)C1=O ZINC000338322612 389108359 /nfs/dbraw/zinc/10/83/59/389108359.db2.gz KWCTVSQKJRBHGP-STQMWFEESA-N 2 2 281.400 0.940 20 0 CCADLP CC(C)CNC(=O)[C@@H](C)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313353148 389113186 /nfs/dbraw/zinc/11/31/86/389113186.db2.gz OSFLHFJYVXWASG-NEPJUHHUSA-N 2 2 257.378 0.197 20 0 CCADLP CC(C)CNC(=O)[C@@H](C)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313353148 389113188 /nfs/dbraw/zinc/11/31/88/389113188.db2.gz OSFLHFJYVXWASG-NEPJUHHUSA-N 2 2 257.378 0.197 20 0 CCADLP C[C@@H]1Cc2[nH+]cn(C[C@@H](O)C[NH+]3CCOCC3)c2C[C@@H]1C ZINC000314355928 389117027 /nfs/dbraw/zinc/11/70/27/389117027.db2.gz OVFCDCHGGLEHGK-RDBSUJKOSA-N 2 2 293.411 0.947 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)CCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000195303774 389123404 /nfs/dbraw/zinc/12/34/04/389123404.db2.gz DCGZVCRSGYIVDS-IYBDPMFKSA-N 2 2 299.459 0.750 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)CCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000195303774 389123407 /nfs/dbraw/zinc/12/34/07/389123407.db2.gz DCGZVCRSGYIVDS-IYBDPMFKSA-N 2 2 299.459 0.750 20 0 CCADLP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1COCC[NH+]1CC ZINC000356606266 389126395 /nfs/dbraw/zinc/12/63/95/389126395.db2.gz VWYAOHLRVOMIQK-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1COCC[NH+]1CC ZINC000356606266 389126397 /nfs/dbraw/zinc/12/63/97/389126397.db2.gz VWYAOHLRVOMIQK-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1COCC[N@@H+]1CC ZINC000356606266 389126399 /nfs/dbraw/zinc/12/63/99/389126399.db2.gz VWYAOHLRVOMIQK-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1COCC[N@H+]1CC ZINC000356606266 389126401 /nfs/dbraw/zinc/12/64/01/389126401.db2.gz VWYAOHLRVOMIQK-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C[NH+](C)[C@@H]1CCSC1 ZINC000356852135 389129116 /nfs/dbraw/zinc/12/91/16/389129116.db2.gz MYFJMAOMUWBZML-JHJVBQTASA-N 2 2 285.457 0.975 20 0 CCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C[NH+](C)[C@@H]1CCSC1 ZINC000356852135 389129119 /nfs/dbraw/zinc/12/91/19/389129119.db2.gz MYFJMAOMUWBZML-JHJVBQTASA-N 2 2 285.457 0.975 20 0 CCADLP C[C@@H]1[C@@H](C)[NH+](C)CCN1C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000356852135 389129123 /nfs/dbraw/zinc/12/91/23/389129123.db2.gz MYFJMAOMUWBZML-JHJVBQTASA-N 2 2 285.457 0.975 20 0 CCADLP C[C@@H]1[C@@H](C)[NH+](C)CCN1C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000356852135 389129126 /nfs/dbraw/zinc/12/91/26/389129126.db2.gz MYFJMAOMUWBZML-JHJVBQTASA-N 2 2 285.457 0.975 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@]2(C)CCC[NH2+]C2)CC1 ZINC000237083987 389181658 /nfs/dbraw/zinc/18/16/58/389181658.db2.gz YMKPCNXLTOVKSB-MRXNPFEDSA-N 3 2 296.459 0.518 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000129322560 389186574 /nfs/dbraw/zinc/18/65/74/389186574.db2.gz UVKJVLFWEALCBL-ZDUSSCGKSA-N 2 2 270.336 0.783 20 0 CCADLP CC[N@H+](CC(=O)NCCCn1cc[nH+]c1)C1CC1 ZINC000130176645 389200236 /nfs/dbraw/zinc/20/02/36/389200236.db2.gz XWARQBZGXLRXQB-UHFFFAOYSA-N 2 2 250.346 0.874 20 0 CCADLP CC[N@@H+](CC(=O)NCCCn1cc[nH+]c1)C1CC1 ZINC000130176645 389200238 /nfs/dbraw/zinc/20/02/38/389200238.db2.gz XWARQBZGXLRXQB-UHFFFAOYSA-N 2 2 250.346 0.874 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@@H](C)[NH+]1C ZINC000358662736 389157840 /nfs/dbraw/zinc/15/78/40/389157840.db2.gz JPEFQTUUWORBGC-UPJWGTAASA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@]1(C[N@H+](CCC(F)(F)F)C[C@@H](O)CO)CC[NH2+]C1 ZINC000340706390 389162295 /nfs/dbraw/zinc/16/22/95/389162295.db2.gz HSCRBAMDIXWGNE-GHMZBOCLSA-N 2 2 284.322 0.594 20 0 CCADLP C[C@@]1(C[N@@H+](CCC(F)(F)F)C[C@@H](O)CO)CC[NH2+]C1 ZINC000340706390 389162298 /nfs/dbraw/zinc/16/22/98/389162298.db2.gz HSCRBAMDIXWGNE-GHMZBOCLSA-N 2 2 284.322 0.594 20 0 CCADLP CC[C@H](C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)[NH+](C)C ZINC000124659352 389162406 /nfs/dbraw/zinc/16/24/06/389162406.db2.gz IBRDPXAWGMUAFI-KGLIPLIRSA-N 2 2 285.432 0.800 20 0 CCADLP CCSCC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000340923586 389167841 /nfs/dbraw/zinc/16/78/41/389167841.db2.gz YEZHVVZTQVXGQQ-UHFFFAOYSA-N 2 2 285.457 0.980 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000342699836 389244031 /nfs/dbraw/zinc/24/40/31/389244031.db2.gz VYMZTPUCECKOMY-WDEREUQCSA-N 2 2 291.342 0.068 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000342699836 389244033 /nfs/dbraw/zinc/24/40/33/389244033.db2.gz VYMZTPUCECKOMY-WDEREUQCSA-N 2 2 291.342 0.068 20 0 CCADLP CC1(C)CC[C@@H]1[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000342722031 389248437 /nfs/dbraw/zinc/24/84/37/389248437.db2.gz DKNOXPZFVMYRRY-KBPBESRZSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3(O)CCC3)C2)CC1 ZINC000363706315 389252865 /nfs/dbraw/zinc/25/28/65/389252865.db2.gz MJIGEYOZBIMHDT-LBPRGKRZSA-N 2 2 281.400 0.186 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3(O)CCC3)C2)CC1 ZINC000363706315 389252871 /nfs/dbraw/zinc/25/28/71/389252871.db2.gz MJIGEYOZBIMHDT-LBPRGKRZSA-N 2 2 281.400 0.186 20 0 CCADLP CC[C@@H](C(N)=O)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000330829563 389255040 /nfs/dbraw/zinc/25/50/40/389255040.db2.gz GRWQPPMOSSBXEE-NSHDSACASA-N 2 2 292.387 0.978 20 0 CCADLP CC(C)(O)CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000364399267 389262351 /nfs/dbraw/zinc/26/23/51/389262351.db2.gz HXNJQKDGVXXVLD-CYBMUJFWSA-N 2 2 256.390 0.802 20 0 CCADLP CC(C)(O)CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000364399267 389262355 /nfs/dbraw/zinc/26/23/55/389262355.db2.gz HXNJQKDGVXXVLD-CYBMUJFWSA-N 2 2 256.390 0.802 20 0 CCADLP C[N@H+](CC(=O)NCCn1cc[nH+]c1)[C@@H]1CCSC1 ZINC000135884542 389262768 /nfs/dbraw/zinc/26/27/68/389262768.db2.gz PICYJGAGGDFGFP-LLVKDONJSA-N 2 2 268.386 0.437 20 0 CCADLP C[N@@H+](CC(=O)NCCn1cc[nH+]c1)[C@@H]1CCSC1 ZINC000135884542 389262770 /nfs/dbraw/zinc/26/27/70/389262770.db2.gz PICYJGAGGDFGFP-LLVKDONJSA-N 2 2 268.386 0.437 20 0 CCADLP CNC(=O)N[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000342363542 389216024 /nfs/dbraw/zinc/21/60/24/389216024.db2.gz SHGUGLVYAJFHFG-LLVKDONJSA-N 2 2 251.334 0.277 20 0 CCADLP CNC(=O)N[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000342363542 389216026 /nfs/dbraw/zinc/21/60/26/389216026.db2.gz SHGUGLVYAJFHFG-LLVKDONJSA-N 2 2 251.334 0.277 20 0 CCADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2COCC[NH+]2CC)C1 ZINC000342410648 389217241 /nfs/dbraw/zinc/21/72/41/389217241.db2.gz HBRWNSYXQFCLQE-CABCVRRESA-N 2 2 297.443 0.897 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2COCC[NH+]2CC)C1 ZINC000342410648 389217242 /nfs/dbraw/zinc/21/72/42/389217242.db2.gz HBRWNSYXQFCLQE-CABCVRRESA-N 2 2 297.443 0.897 20 0 CCADLP CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC)C1 ZINC000342410648 389217244 /nfs/dbraw/zinc/21/72/44/389217244.db2.gz HBRWNSYXQFCLQE-CABCVRRESA-N 2 2 297.443 0.897 20 0 CCADLP CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CC)C1 ZINC000342410648 389217245 /nfs/dbraw/zinc/21/72/45/389217245.db2.gz HBRWNSYXQFCLQE-CABCVRRESA-N 2 2 297.443 0.897 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000252716602 389265993 /nfs/dbraw/zinc/26/59/93/389265993.db2.gz YVTMNOOLVVFGLW-MGPQQGTHSA-N 3 2 255.406 0.373 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000252716602 389265996 /nfs/dbraw/zinc/26/59/96/389265996.db2.gz YVTMNOOLVVFGLW-MGPQQGTHSA-N 3 2 255.406 0.373 20 0 CCADLP CCOC(=O)N1CCC([NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)CC1 ZINC000133402152 389235242 /nfs/dbraw/zinc/23/52/42/389235242.db2.gz FZUJIMRNVXFPIN-GXTWGEPZSA-N 2 2 299.415 0.964 20 0 CCADLP C[NH+](C)CCNC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000342677962 389239781 /nfs/dbraw/zinc/23/97/81/389239781.db2.gz KVDUTUZNWZCCJS-UHFFFAOYSA-N 2 2 293.293 0.806 20 0 CCADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000346182852 389323400 /nfs/dbraw/zinc/32/34/00/389323400.db2.gz JQHFOTBMOMZSHP-RDBSUJKOSA-N 2 2 281.400 0.402 20 0 CCADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000346182852 389323405 /nfs/dbraw/zinc/32/34/05/389323405.db2.gz JQHFOTBMOMZSHP-RDBSUJKOSA-N 2 2 281.400 0.402 20 0 CCADLP c1snnc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261547420 389271645 /nfs/dbraw/zinc/27/16/45/389271645.db2.gz HYYLELOHGNFWLF-NSHDSACASA-N 2 2 253.375 0.018 20 0 CCADLP c1snnc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261547420 389271647 /nfs/dbraw/zinc/27/16/47/389271647.db2.gz HYYLELOHGNFWLF-NSHDSACASA-N 2 2 253.375 0.018 20 0 CCADLP [NH3+][C@@H]1CCCC[C@H]1CC(=O)NCCn1cc[nH+]c1 ZINC000261568787 389272148 /nfs/dbraw/zinc/27/21/48/389272148.db2.gz JKPIAAQINHVNFO-NWDGAFQWSA-N 2 2 250.346 0.907 20 0 CCADLP C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000261912296 389278743 /nfs/dbraw/zinc/27/87/43/389278743.db2.gz JFMBKSYNCJVGLL-RRFJBIMHSA-N 3 2 267.417 0.827 20 0 CCADLP CCN(CC)c1ccc(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)c[nH+]1 ZINC000262421660 389286549 /nfs/dbraw/zinc/28/65/49/389286549.db2.gz QPVUGLPJNKMELZ-QWHCGFSZSA-N 2 2 292.383 0.267 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+](CCO)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000153735164 389307080 /nfs/dbraw/zinc/30/70/80/389307080.db2.gz KXSAFZOKEPTLDD-MJBXVCDLSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+](CCO)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000153735164 389307086 /nfs/dbraw/zinc/30/70/86/389307086.db2.gz KXSAFZOKEPTLDD-MJBXVCDLSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000366606310 389307820 /nfs/dbraw/zinc/30/78/20/389307820.db2.gz YZDRXYANZUKWCD-KGLIPLIRSA-N 2 2 283.416 0.417 20 0 CCADLP CC(C)[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000366606310 389307824 /nfs/dbraw/zinc/30/78/24/389307824.db2.gz YZDRXYANZUKWCD-KGLIPLIRSA-N 2 2 283.416 0.417 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000369276753 389392168 /nfs/dbraw/zinc/39/21/68/389392168.db2.gz IOIAISQFFKLZAA-CQSZACIVSA-N 3 2 296.459 0.611 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](C2CC[NH+](C)CC2)C1 ZINC000369276753 389392171 /nfs/dbraw/zinc/39/21/71/389392171.db2.gz IOIAISQFFKLZAA-CQSZACIVSA-N 3 2 296.459 0.611 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369276753 389392174 /nfs/dbraw/zinc/39/21/74/389392174.db2.gz IOIAISQFFKLZAA-CQSZACIVSA-N 3 2 296.459 0.611 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369276753 389392177 /nfs/dbraw/zinc/39/21/77/389392177.db2.gz IOIAISQFFKLZAA-CQSZACIVSA-N 3 2 296.459 0.611 20 0 CCADLP CCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369276933 389392724 /nfs/dbraw/zinc/39/27/24/389392724.db2.gz JHPDRDTYHSSWTE-OLZOCXBDSA-N 2 2 283.416 0.696 20 0 CCADLP CCO[C@H](C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369276933 389392726 /nfs/dbraw/zinc/39/27/26/389392726.db2.gz JHPDRDTYHSSWTE-OLZOCXBDSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000332938941 389396156 /nfs/dbraw/zinc/39/61/56/389396156.db2.gz YIIRBFSOKWPGTF-JSGCOSHPSA-N 2 2 296.415 0.101 20 0 CCADLP CN(C(=O)c1ccn[nH]1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370838490 389418193 /nfs/dbraw/zinc/41/81/93/389418193.db2.gz LOJXQXQUCMWWHW-CYBMUJFWSA-N 2 2 291.399 0.650 20 0 CCADLP CN(C(=O)c1ccn[nH]1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370838490 389418194 /nfs/dbraw/zinc/41/81/94/389418194.db2.gz LOJXQXQUCMWWHW-CYBMUJFWSA-N 2 2 291.399 0.650 20 0 CCADLP CN(C(=O)c1cc[nH]n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370838490 389418196 /nfs/dbraw/zinc/41/81/96/389418196.db2.gz LOJXQXQUCMWWHW-CYBMUJFWSA-N 2 2 291.399 0.650 20 0 CCADLP CN(C(=O)c1cc[nH]n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370838490 389418197 /nfs/dbraw/zinc/41/81/97/389418197.db2.gz LOJXQXQUCMWWHW-CYBMUJFWSA-N 2 2 291.399 0.650 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000162337861 389418207 /nfs/dbraw/zinc/41/82/07/389418207.db2.gz QHKRNHATLWMOMW-LSDHHAIUSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000162337861 389418210 /nfs/dbraw/zinc/41/82/10/389418210.db2.gz QHKRNHATLWMOMW-LSDHHAIUSA-N 2 2 295.427 0.794 20 0 CCADLP CCCN1C[C@H](C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CC1=O ZINC000421356322 389359875 /nfs/dbraw/zinc/35/98/75/389359875.db2.gz WXLWWBAMXQLCFZ-FRRDWIJNSA-N 2 2 253.390 0.785 20 0 CCADLP CCCN1C[C@H](C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CC1=O ZINC000421356322 389359881 /nfs/dbraw/zinc/35/98/81/389359881.db2.gz WXLWWBAMXQLCFZ-FRRDWIJNSA-N 2 2 253.390 0.785 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ncnn1C ZINC000162193796 389415637 /nfs/dbraw/zinc/41/56/37/389415637.db2.gz LNUQUADCANTFKH-UHFFFAOYSA-N 2 2 280.420 0.273 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ncnn1C ZINC000162193796 389415639 /nfs/dbraw/zinc/41/56/39/389415639.db2.gz LNUQUADCANTFKH-UHFFFAOYSA-N 2 2 280.420 0.273 20 0 CCADLP c1ccc(CC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)nc1 ZINC000422734914 389462787 /nfs/dbraw/zinc/46/27/87/389462787.db2.gz UVYCMZFMGBYALK-HUUCEWRRSA-N 2 2 261.369 0.981 20 0 CCADLP C[C@@H](N[C@@H](C)[C@H](C)[NH+]1CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422745866 389465124 /nfs/dbraw/zinc/46/51/24/389465124.db2.gz VWGYCUDAIPNXBN-CRWXNKLISA-N 2 2 255.406 0.826 20 0 CCADLP OC[C@@H](C[NH2+][C@H]1CC[NH2+]C1)Cc1ccc(F)cc1 ZINC000422754951 389467377 /nfs/dbraw/zinc/46/73/77/389467377.db2.gz HFWWRKQJBQLTPH-OCCSQVGLSA-N 2 2 252.333 0.928 20 0 CCADLP C[C@H](C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)CN1CCOCC1 ZINC000422756708 389468802 /nfs/dbraw/zinc/46/88/02/389468802.db2.gz HDRXUHAKTWIFSE-QLFBSQMISA-N 2 2 285.432 0.311 20 0 CCADLP C[NH2+][C@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000422766729 389469933 /nfs/dbraw/zinc/46/99/33/389469933.db2.gz MGSQUQXNILILKM-GJZGRUSLSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH2+][C@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000422766729 389469934 /nfs/dbraw/zinc/46/99/34/389469934.db2.gz MGSQUQXNILILKM-GJZGRUSLSA-N 2 2 295.427 0.698 20 0 CCADLP OC[C@H]([NH2+]CC[NH+]1CCCCC1)[C@@H]1CCCOC1 ZINC000411990741 389473068 /nfs/dbraw/zinc/47/30/68/389473068.db2.gz ILLDVEGXPZJCPN-KGLIPLIRSA-N 2 2 256.390 0.849 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000422782346 389474773 /nfs/dbraw/zinc/47/47/73/389474773.db2.gz LRYIKBOEKIZFPY-QLFBSQMISA-N 2 2 297.443 0.990 20 0 CCADLP CCC[N@H+](CC)CCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000350033301 389479464 /nfs/dbraw/zinc/47/94/64/389479464.db2.gz MJTXWMZFPOHUTD-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[N@@H+](CC)CCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000350033301 389479467 /nfs/dbraw/zinc/47/94/67/389479467.db2.gz MJTXWMZFPOHUTD-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422864360 389494880 /nfs/dbraw/zinc/49/48/80/389494880.db2.gz UUVKBWWNVRDUAF-SOUVJXGZSA-N 3 2 268.449 0.743 20 0 CCADLP C[C@H](CO)[N@@H+]1CCCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000413256701 389486110 /nfs/dbraw/zinc/48/61/10/389486110.db2.gz MKAWDWLRCYRECO-GFCCVEGCSA-N 2 2 291.399 0.944 20 0 CCADLP C[C@H](CO)[N@H+]1CCCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000413256701 389486114 /nfs/dbraw/zinc/48/61/14/389486114.db2.gz MKAWDWLRCYRECO-GFCCVEGCSA-N 2 2 291.399 0.944 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000422839773 389488675 /nfs/dbraw/zinc/48/86/75/389488675.db2.gz RFVXZXHBKBHEFL-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000422839773 389488677 /nfs/dbraw/zinc/48/86/77/389488677.db2.gz RFVXZXHBKBHEFL-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000164464233 389434760 /nfs/dbraw/zinc/43/47/60/389434760.db2.gz NIBDTIHRFMAWOQ-CQSZACIVSA-N 2 2 269.389 0.167 20 0 CCADLP CC[NH+]1CCN(c2ccccc2C[N@H+](C)CC(N)=O)CC1 ZINC000349833186 389442915 /nfs/dbraw/zinc/44/29/15/389442915.db2.gz QKROFPYDMDJPKJ-UHFFFAOYSA-N 2 2 290.411 0.746 20 0 CCADLP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)CC(N)=O)CC1 ZINC000349833186 389442917 /nfs/dbraw/zinc/44/29/17/389442917.db2.gz QKROFPYDMDJPKJ-UHFFFAOYSA-N 2 2 290.411 0.746 20 0 CCADLP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000349877301 389450240 /nfs/dbraw/zinc/45/02/40/389450240.db2.gz NEDZSDNZGSUPGD-ZIAGYGMSSA-N 2 2 299.463 0.262 20 0 CCADLP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000349877301 389450243 /nfs/dbraw/zinc/45/02/43/389450243.db2.gz NEDZSDNZGSUPGD-ZIAGYGMSSA-N 2 2 299.463 0.262 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC1CC[NH2+]CC1 ZINC000422696378 389452718 /nfs/dbraw/zinc/45/27/18/389452718.db2.gz RJLFKJZZONEQOM-CYBMUJFWSA-N 2 2 269.389 0.356 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC1CC[NH2+]CC1 ZINC000422696378 389452725 /nfs/dbraw/zinc/45/27/25/389452725.db2.gz RJLFKJZZONEQOM-CYBMUJFWSA-N 2 2 269.389 0.356 20 0 CCADLP CC[C@H](C)NC(=O)CC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422699289 389453571 /nfs/dbraw/zinc/45/35/71/389453571.db2.gz CXKAPYDVXDHMRU-CORIIIEPSA-N 2 2 283.416 0.648 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000422700901 389453832 /nfs/dbraw/zinc/45/38/32/389453832.db2.gz COHOJSFGINPFIY-HUUCEWRRSA-N 2 2 297.443 0.945 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000422700901 389453837 /nfs/dbraw/zinc/45/38/37/389453837.db2.gz COHOJSFGINPFIY-HUUCEWRRSA-N 2 2 297.443 0.945 20 0 CCADLP C([NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)[C@H]1CCCCO1 ZINC000422707197 389454872 /nfs/dbraw/zinc/45/48/72/389454872.db2.gz WBDAXECEMSKYKE-HZSPNIEDSA-N 2 2 254.374 0.912 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCN1CCOCC1(C)C ZINC000422704360 389454963 /nfs/dbraw/zinc/45/49/63/389454963.db2.gz KLOJXQCBJQXNCD-ZIAGYGMSSA-N 2 2 285.432 0.454 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCN1CCOC[C@H]1C ZINC000422712229 389457288 /nfs/dbraw/zinc/45/72/88/389457288.db2.gz IAUOELWOXWDNPU-MGPQQGTHSA-N 2 2 271.405 0.064 20 0 CCADLP CC(C)NS(=O)(=O)CC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422946904 389508949 /nfs/dbraw/zinc/50/89/49/389508949.db2.gz PRQIEVONHBEZRS-RYUDHWBXSA-N 2 2 277.434 0.434 20 0 CCADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000422945813 389509114 /nfs/dbraw/zinc/50/91/14/389509114.db2.gz NZGMBSFZMOTPAP-YPMHNXCESA-N 2 2 297.424 0.949 20 0 CCADLP CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000422944931 389509473 /nfs/dbraw/zinc/50/94/73/389509473.db2.gz MHDDTQKOAHQGNS-BDAKNGLRSA-N 2 2 267.295 0.785 20 0 CCADLP C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)[C@H]1CCC[NH2+]1 ZINC000422954405 389509898 /nfs/dbraw/zinc/50/98/98/389509898.db2.gz HMVDKKGXCZLSOL-AEJSXWLSSA-N 2 2 279.306 0.880 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000422982161 389516126 /nfs/dbraw/zinc/51/61/26/389516126.db2.gz VTEYSMTYODFIIG-CABCVRRESA-N 3 2 268.449 0.602 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000422982161 389516127 /nfs/dbraw/zinc/51/61/27/389516127.db2.gz VTEYSMTYODFIIG-CABCVRRESA-N 3 2 268.449 0.602 20 0 CCADLP CC1CC[NH+](C[C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000422982613 389517201 /nfs/dbraw/zinc/51/72/01/389517201.db2.gz XCJVGOLHVDFHJE-QXULXFAOSA-N 3 2 281.444 0.952 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000423006892 389521459 /nfs/dbraw/zinc/52/14/59/389521459.db2.gz WTDRAOAWYFHLRZ-QLFBSQMISA-N 2 2 297.443 0.990 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@H]1CCC[N@H+]1CC(C)C ZINC000423006892 389521463 /nfs/dbraw/zinc/52/14/63/389521463.db2.gz WTDRAOAWYFHLRZ-QLFBSQMISA-N 2 2 297.443 0.990 20 0 CCADLP C[NH+]1CCC(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000174589360 389524324 /nfs/dbraw/zinc/52/43/24/389524324.db2.gz MLYYXTBQYZQKBD-UHFFFAOYSA-N 2 2 283.416 0.555 20 0 CCADLP C[NH+]1CCC(C(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000174589360 389524330 /nfs/dbraw/zinc/52/43/30/389524330.db2.gz MLYYXTBQYZQKBD-UHFFFAOYSA-N 2 2 283.416 0.555 20 0 CCADLP CCNC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000335047788 389534860 /nfs/dbraw/zinc/53/48/60/389534860.db2.gz MNMUWWCEOLHDKH-GFCCVEGCSA-N 2 2 268.405 0.816 20 0 CCADLP CCNC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000335047788 389534863 /nfs/dbraw/zinc/53/48/63/389534863.db2.gz MNMUWWCEOLHDKH-GFCCVEGCSA-N 2 2 268.405 0.816 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000423114633 389536491 /nfs/dbraw/zinc/53/64/91/389536491.db2.gz LXNALIOSNOSEHS-NDBYEHHHSA-N 2 2 251.374 0.727 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)C[N@H+](C)C(C)C ZINC000423122703 389538478 /nfs/dbraw/zinc/53/84/78/389538478.db2.gz KZQZTXNGAOZUDH-YNEHKIRRSA-N 2 2 271.405 0.598 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)C[N@@H+](C)C(C)C ZINC000423122703 389538482 /nfs/dbraw/zinc/53/84/82/389538482.db2.gz KZQZTXNGAOZUDH-YNEHKIRRSA-N 2 2 271.405 0.598 20 0 CCADLP COc1ccc(C[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)c(OC)n1 ZINC000423143526 389542191 /nfs/dbraw/zinc/54/21/91/389542191.db2.gz XBAVSRYUXRDYQU-DGCLKSJQSA-N 2 2 295.383 0.955 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](CC)[C@H]1CCCC[NH2+]1 ZINC000423162144 389546774 /nfs/dbraw/zinc/54/67/74/389546774.db2.gz SUNWUDXYXISDAJ-JHJVBQTASA-N 2 2 291.461 0.825 20 0 CCADLP CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000423196023 389551472 /nfs/dbraw/zinc/55/14/72/389551472.db2.gz UIBYKPKUKJXPRN-QJPTWQEYSA-N 2 2 260.403 0.684 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@@H]([NH3+])c1ccccc1 ZINC000423249108 389556835 /nfs/dbraw/zinc/55/68/35/389556835.db2.gz OFRZGDNKGATZFQ-MGPQQGTHSA-N 2 2 277.368 0.570 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@@H](C[NH3+])C1CCCCC1 ZINC000423260884 389557252 /nfs/dbraw/zinc/55/72/52/389557252.db2.gz IPRCFWHUKTUAED-HZSPNIEDSA-N 2 2 283.416 0.777 20 0 CCADLP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423260884 389557256 /nfs/dbraw/zinc/55/72/56/389557256.db2.gz IPRCFWHUKTUAED-HZSPNIEDSA-N 2 2 283.416 0.777 20 0 CCADLP C[C@@H]([NH3+])c1ccc(C(=O)NCC[NH+]2CCOCC2)cc1 ZINC000423296247 389561251 /nfs/dbraw/zinc/56/12/51/389561251.db2.gz GKTRFIULQRQITC-GFCCVEGCSA-N 2 2 277.368 0.768 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000278857451 389563417 /nfs/dbraw/zinc/56/34/17/389563417.db2.gz LVOZERDGNNCMCN-NSHDSACASA-N 2 2 280.372 0.345 20 0 CCADLP COC(=O)[C@H]1C[C@H](OC)CC[N@@H+]1CCn1cc[nH+]c1C ZINC000351103339 389564675 /nfs/dbraw/zinc/56/46/75/389564675.db2.gz QYXYWNLLYNZPNG-CHWSQXEVSA-N 2 2 281.356 0.844 20 0 CCADLP COC(=O)[C@H]1C[C@H](OC)CC[N@H+]1CCn1cc[nH+]c1C ZINC000351103339 389564678 /nfs/dbraw/zinc/56/46/78/389564678.db2.gz QYXYWNLLYNZPNG-CHWSQXEVSA-N 2 2 281.356 0.844 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1[NH2+]CCCC1(C)C)[NH+]1CCOCC1 ZINC000423317614 389564810 /nfs/dbraw/zinc/56/48/10/389564810.db2.gz CPOVECVWOUQMMF-STQMWFEESA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)[NH+]1CCOCC1 ZINC000423323429 389565232 /nfs/dbraw/zinc/56/52/32/389565232.db2.gz JKUCYRIWPLIYQP-AGIUHOORSA-N 2 2 269.389 0.211 20 0 CCADLP CCN(CC)S(=O)(=O)CC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000422865620 389496012 /nfs/dbraw/zinc/49/60/12/389496012.db2.gz YUHCEUCZGSQMRL-QWHCGFSZSA-N 2 2 291.461 0.778 20 0 CCADLP C[C@H]([NH2+]Cc1ccc(C(N)=O)nc1)[C@@H]1CCCC[NH2+]1 ZINC000422868658 389496235 /nfs/dbraw/zinc/49/62/35/389496235.db2.gz VHCIYRLATRRXBJ-JQWIXIFHSA-N 2 2 262.357 0.801 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000422880497 389498342 /nfs/dbraw/zinc/49/83/42/389498342.db2.gz OBMYKPIRJSBLSF-KFWWJZLASA-N 3 2 296.459 0.517 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000422880497 389498343 /nfs/dbraw/zinc/49/83/43/389498343.db2.gz OBMYKPIRJSBLSF-KFWWJZLASA-N 3 2 296.459 0.517 20 0 CCADLP CC[C@@H](C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1)[NH+](C)C ZINC000178682368 389615461 /nfs/dbraw/zinc/61/54/61/389615461.db2.gz KMIDMKPTPCTEAH-STQMWFEESA-N 2 2 299.415 0.422 20 0 CCADLP C[C@H](C(=O)N(C)CC1CC[NH+](C)CC1)[NH+]1CCN(C)CC1 ZINC000351570587 389617059 /nfs/dbraw/zinc/61/70/59/389617059.db2.gz YMUVCOVCSZHQLT-CQSZACIVSA-N 2 2 296.459 0.423 20 0 CCADLP COC(=O)[C@H](O)C1CC[NH+](C[C@H]([NH3+])CC(C)C)CC1 ZINC000414698429 389628419 /nfs/dbraw/zinc/62/84/19/389628419.db2.gz DHLZYLDTAUIVTR-CHWSQXEVSA-N 2 2 272.389 0.606 20 0 CCADLP Cc1cccc2ncc(C[NH2+]C[C@@H]3C[NH2+]CCN3C)n21 ZINC000414963998 389648007 /nfs/dbraw/zinc/64/80/07/389648007.db2.gz LKEZBBLIXXHAIM-ZDUSSCGKSA-N 2 2 273.384 0.636 20 0 CCADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000414961558 389648062 /nfs/dbraw/zinc/64/80/62/389648062.db2.gz IQWCUHCAAKAXIK-INIZCTEOSA-N 2 2 285.395 0.866 20 0 CCADLP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC[NH2+]1 ZINC000414719371 389631711 /nfs/dbraw/zinc/63/17/11/389631711.db2.gz YECVSVOPKGPPIP-KFWWJZLASA-N 3 2 294.443 0.271 20 0 CCADLP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC[NH2+]1 ZINC000414719371 389631713 /nfs/dbraw/zinc/63/17/13/389631713.db2.gz YECVSVOPKGPPIP-KFWWJZLASA-N 3 2 294.443 0.271 20 0 CCADLP COC(=O)c1cn([C@@H]2CC[N@H+](C[C@@H]([NH3+])CC(C)C)C2)nn1 ZINC000414758615 389635449 /nfs/dbraw/zinc/63/54/49/389635449.db2.gz MUYJBXQTXFVVCZ-NWDGAFQWSA-N 2 2 295.387 0.685 20 0 CCADLP COC(=O)c1cn([C@@H]2CC[N@@H+](C[C@@H]([NH3+])CC(C)C)C2)nn1 ZINC000414758615 389635450 /nfs/dbraw/zinc/63/54/50/389635450.db2.gz MUYJBXQTXFVVCZ-NWDGAFQWSA-N 2 2 295.387 0.685 20 0 CCADLP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC000179069346 389636311 /nfs/dbraw/zinc/63/63/11/389636311.db2.gz WXACAWRGLBIAGD-ZDUSSCGKSA-N 2 2 269.389 0.354 20 0 CCADLP COC(=O)c1cn([C@@H]2CC[N@H+](C[C@H]([NH3+])CC(C)C)C2)nn1 ZINC000414758622 389636657 /nfs/dbraw/zinc/63/66/57/389636657.db2.gz MUYJBXQTXFVVCZ-VXGBXAGGSA-N 2 2 295.387 0.685 20 0 CCADLP COC(=O)c1cn([C@@H]2CC[N@@H+](C[C@H]([NH3+])CC(C)C)C2)nn1 ZINC000414758622 389636662 /nfs/dbraw/zinc/63/66/62/389636662.db2.gz MUYJBXQTXFVVCZ-VXGBXAGGSA-N 2 2 295.387 0.685 20 0 CCADLP CCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000179162593 389641506 /nfs/dbraw/zinc/64/15/06/389641506.db2.gz NUBDVHGFCUWYET-PBWFPOADSA-N 2 2 280.416 0.959 20 0 CCADLP CCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000179162593 389641509 /nfs/dbraw/zinc/64/15/09/389641509.db2.gz NUBDVHGFCUWYET-PBWFPOADSA-N 2 2 280.416 0.959 20 0 CCADLP C(C[C@H]1CCC[NH2+]1)[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423356222 389572484 /nfs/dbraw/zinc/57/24/84/389572484.db2.gz JPMYFOLHHYLHSC-HZSPNIEDSA-N 3 2 253.390 0.485 20 0 CCADLP Cn1ncnc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000177362197 389580645 /nfs/dbraw/zinc/58/06/45/389580645.db2.gz CMFIINNESREBOG-UHFFFAOYSA-N 2 2 293.415 0.892 20 0 CCADLP CC(=O)NC[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351441680 389583030 /nfs/dbraw/zinc/58/30/30/389583030.db2.gz JNHFAALYGOZJSH-DZGCQCFKSA-N 2 2 283.416 0.290 20 0 CCADLP CC(=O)NC[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000351441680 389583031 /nfs/dbraw/zinc/58/30/31/389583031.db2.gz JNHFAALYGOZJSH-DZGCQCFKSA-N 2 2 283.416 0.290 20 0 CCADLP CC(=O)NC[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351441680 389583032 /nfs/dbraw/zinc/58/30/32/389583032.db2.gz JNHFAALYGOZJSH-DZGCQCFKSA-N 2 2 283.416 0.290 20 0 CCADLP CC(=O)NC[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351441680 389583034 /nfs/dbraw/zinc/58/30/34/389583034.db2.gz JNHFAALYGOZJSH-DZGCQCFKSA-N 2 2 283.416 0.290 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413962206 389585744 /nfs/dbraw/zinc/58/57/44/389585744.db2.gz UWAFBBRVPKOPCW-QWHCGFSZSA-N 2 2 283.416 0.411 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413962206 389585747 /nfs/dbraw/zinc/58/57/47/389585747.db2.gz UWAFBBRVPKOPCW-QWHCGFSZSA-N 2 2 283.416 0.411 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@@H](C)[NH3+] ZINC000423449367 389588686 /nfs/dbraw/zinc/58/86/86/389588686.db2.gz WGVGKKCQOXXRGJ-UKRRQHHQSA-N 3 2 298.475 0.748 20 0 CCADLP C[C@@H](C[NH3+])CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000423443365 389589026 /nfs/dbraw/zinc/58/90/26/389589026.db2.gz AILYOLXWHBCXBN-AAEUAGOBSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H](C[NH3+])CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000423443365 389589028 /nfs/dbraw/zinc/58/90/28/389589028.db2.gz AILYOLXWHBCXBN-AAEUAGOBSA-N 2 2 269.389 0.341 20 0 CCADLP [NH3+][C@@H](CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1)C1CC1 ZINC000423470700 389592019 /nfs/dbraw/zinc/59/20/19/389592019.db2.gz DKESZHHNZJOBBN-UONOGXRCSA-N 2 2 281.400 0.341 20 0 CCADLP [NH3+][C@@H](CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1)C1CC1 ZINC000423470700 389592024 /nfs/dbraw/zinc/59/20/24/389592024.db2.gz DKESZHHNZJOBBN-UONOGXRCSA-N 2 2 281.400 0.341 20 0 CCADLP [NH3+][C@@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)C1CC1 ZINC000423487394 389593682 /nfs/dbraw/zinc/59/36/82/389593682.db2.gz XDSJAVQXBGCMPD-LBPRGKRZSA-N 2 2 271.324 0.734 20 0 CCADLP COC(=O)c1coc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCN2C)c1 ZINC000423498142 389595559 /nfs/dbraw/zinc/59/55/59/389595559.db2.gz BLRJEDNNLSUCLY-CMPLNLGQSA-N 2 2 281.356 0.620 20 0 CCADLP CO[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000374691618 389600520 /nfs/dbraw/zinc/60/05/20/389600520.db2.gz DTVHMSYKVPAEGQ-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP C(C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)C[NH2+]C1CC1 ZINC000423572781 389602367 /nfs/dbraw/zinc/60/23/67/389602367.db2.gz YRTSQATZJWAJJO-KGLIPLIRSA-N 3 2 253.390 0.485 20 0 CCADLP CCc1nn(C)c(CC)c1C[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000415095706 389658702 /nfs/dbraw/zinc/65/87/02/389658702.db2.gz NSBIHMDDQOJMRB-NSHDSACASA-N 2 2 266.389 0.623 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCO2)cc1 ZINC000415095629 389658845 /nfs/dbraw/zinc/65/88/45/389658845.db2.gz NMBDJEYCACJYNK-ZDUSSCGKSA-N 2 2 264.325 0.551 20 0 CCADLP CC(C)C[C@H]([NH3+])C[NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000415118190 389661872 /nfs/dbraw/zinc/66/18/72/389661872.db2.gz WCACSORFBBUKBR-QWHCGFSZSA-N 2 2 293.415 0.879 20 0 CCADLP C[N@@H+](C[C@@H]1CCS(=O)(=O)C1)C[C@@H]1CCC[NH+](C)C1 ZINC000336694004 389663264 /nfs/dbraw/zinc/66/32/64/389663264.db2.gz DFLJPAWYXBESAV-OLZOCXBDSA-N 2 2 274.430 0.695 20 0 CCADLP C[NH+](C[C@@H]1CCS(=O)(=O)C1)C[C@@H]1CCC[N@H+](C)C1 ZINC000336694004 389663267 /nfs/dbraw/zinc/66/32/67/389663267.db2.gz DFLJPAWYXBESAV-OLZOCXBDSA-N 2 2 274.430 0.695 20 0 CCADLP C[NH+](C[C@@H]1CCS(=O)(=O)C1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000336694004 389663269 /nfs/dbraw/zinc/66/32/69/389663269.db2.gz DFLJPAWYXBESAV-OLZOCXBDSA-N 2 2 274.430 0.695 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)CC[N@@H+]1C ZINC000180962654 389678849 /nfs/dbraw/zinc/67/88/49/389678849.db2.gz JYDXCTMZNLDKDE-MBNYWOFBSA-N 2 2 291.399 0.598 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3cnn(C)c3)C2=O)CC[N@H+]1C ZINC000180962654 389678851 /nfs/dbraw/zinc/67/88/51/389678851.db2.gz JYDXCTMZNLDKDE-MBNYWOFBSA-N 2 2 291.399 0.598 20 0 CCADLP COCC1(CNC(=O)Nc2cc[nH+]c(C)c2)CC[NH2+]CC1 ZINC000415391681 389680673 /nfs/dbraw/zinc/68/06/73/389680673.db2.gz IKLYJERYKWEFBB-UHFFFAOYSA-N 2 2 292.383 0.950 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)NC1CCOCC1 ZINC000181099101 389681209 /nfs/dbraw/zinc/68/12/09/389681209.db2.gz IPZAYTFEYASOHF-UHFFFAOYSA-N 2 2 280.372 0.500 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)NC1CCOCC1 ZINC000181099101 389681213 /nfs/dbraw/zinc/68/12/13/389681213.db2.gz IPZAYTFEYASOHF-UHFFFAOYSA-N 2 2 280.372 0.500 20 0 CCADLP CC[C@H](C(=O)NCC[N@@H+]1CCO[C@@H](CC)C1)[NH+](C)C ZINC000427734492 389683165 /nfs/dbraw/zinc/68/31/65/389683165.db2.gz MVKKQFVBNPSLLE-QWHCGFSZSA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@H](C(=O)NCC[N@H+]1CCO[C@@H](CC)C1)[NH+](C)C ZINC000427734492 389683169 /nfs/dbraw/zinc/68/31/69/389683169.db2.gz MVKKQFVBNPSLLE-QWHCGFSZSA-N 2 2 271.405 0.554 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428353173 389693789 /nfs/dbraw/zinc/69/37/89/389693789.db2.gz TXYJFSNXJDEFEQ-LLVKDONJSA-N 2 2 250.346 0.654 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000428353173 389693791 /nfs/dbraw/zinc/69/37/91/389693791.db2.gz TXYJFSNXJDEFEQ-LLVKDONJSA-N 2 2 250.346 0.654 20 0 CCADLP CC(C)[C@@H](C(=O)N1CC[N@H+](CCO)[C@H](C)C1)[NH+](C)C ZINC000428533713 389705118 /nfs/dbraw/zinc/70/51/18/389705118.db2.gz NPGBGGNBUNCYHS-OLZOCXBDSA-N 2 2 271.405 0.098 20 0 CCADLP CC(C)[C@@H](C(=O)N1CC[N@@H+](CCO)[C@H](C)C1)[NH+](C)C ZINC000428533713 389705121 /nfs/dbraw/zinc/70/51/21/389705121.db2.gz NPGBGGNBUNCYHS-OLZOCXBDSA-N 2 2 271.405 0.098 20 0 CCADLP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C(N)=O)CC1 ZINC000183095408 389724823 /nfs/dbraw/zinc/72/48/23/389724823.db2.gz WYSJBVWTFMIHLO-LLVKDONJSA-N 2 2 257.378 0.339 20 0 CCADLP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC000352155344 389762154 /nfs/dbraw/zinc/76/21/54/389762154.db2.gz XLFQGSDDPKRBEX-LSDHHAIUSA-N 2 2 295.427 0.840 20 0 CCADLP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC000352155344 389762155 /nfs/dbraw/zinc/76/21/55/389762155.db2.gz XLFQGSDDPKRBEX-LSDHHAIUSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC[C@H]1CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000352155344 389762157 /nfs/dbraw/zinc/76/21/57/389762157.db2.gz XLFQGSDDPKRBEX-LSDHHAIUSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC[C@H]1CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000352155344 389762159 /nfs/dbraw/zinc/76/21/59/389762159.db2.gz XLFQGSDDPKRBEX-LSDHHAIUSA-N 2 2 295.427 0.840 20 0 CCADLP CC(C)N1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000429676518 389763916 /nfs/dbraw/zinc/76/39/16/389763916.db2.gz KGHCGEZAJWTMHO-UHFFFAOYSA-N 2 2 282.432 0.177 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](O)C(C)(C)C1 ZINC000388232953 389769493 /nfs/dbraw/zinc/76/94/93/389769493.db2.gz BTNWUBSNOKKHHZ-STQMWFEESA-N 2 2 274.405 0.018 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](O)C(C)(C)C1 ZINC000388232953 389769495 /nfs/dbraw/zinc/76/94/95/389769495.db2.gz BTNWUBSNOKKHHZ-STQMWFEESA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000388232953 389769497 /nfs/dbraw/zinc/76/94/97/389769497.db2.gz BTNWUBSNOKKHHZ-STQMWFEESA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000388232953 389769498 /nfs/dbraw/zinc/76/94/98/389769498.db2.gz BTNWUBSNOKKHHZ-STQMWFEESA-N 2 2 274.405 0.018 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)C(C)(C)C1 ZINC000388232952 389769593 /nfs/dbraw/zinc/76/95/93/389769593.db2.gz BTNWUBSNOKKHHZ-QWHCGFSZSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](O)C(C)(C)C1 ZINC000388232952 389769594 /nfs/dbraw/zinc/76/95/94/389769594.db2.gz BTNWUBSNOKKHHZ-QWHCGFSZSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000388232952 389769596 /nfs/dbraw/zinc/76/95/96/389769596.db2.gz BTNWUBSNOKKHHZ-QWHCGFSZSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000388232952 389769598 /nfs/dbraw/zinc/76/95/98/389769598.db2.gz BTNWUBSNOKKHHZ-QWHCGFSZSA-N 2 2 274.405 0.018 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCOC(F)(F)F ZINC000398184947 389781215 /nfs/dbraw/zinc/78/12/15/389781215.db2.gz UKBYDMMOURHDNJ-RKDXNWHRSA-N 2 2 256.268 0.879 20 0 CCADLP [NH3+]C[C@@H](NC(=O)NCCc1cn2ccccc2[nH+]1)C1CC1 ZINC000416941612 389782902 /nfs/dbraw/zinc/78/29/02/389782902.db2.gz IEJFRPZGEIBYNV-CYBMUJFWSA-N 2 2 287.367 0.913 20 0 CCADLP C[NH2+]CCCNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000417003910 389788434 /nfs/dbraw/zinc/78/84/34/389788434.db2.gz CABSWTRQVSPWQM-UHFFFAOYSA-N 2 2 265.361 0.556 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000417011287 389789517 /nfs/dbraw/zinc/78/95/17/389789517.db2.gz RKJKKELGSXTOOV-NSHDSACASA-N 2 2 265.361 0.684 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000417025527 389790887 /nfs/dbraw/zinc/79/08/87/389790887.db2.gz LRXVCTPGDWHCIA-RDBSUJKOSA-N 2 2 298.431 0.524 20 0 CCADLP COCC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H]1CCO[C@H]1C ZINC000352355601 389796331 /nfs/dbraw/zinc/79/63/31/389796331.db2.gz CYURCLLUUOMLGP-CFVMTHIKSA-N 2 2 286.416 0.567 20 0 CCADLP COCC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H]1CCO[C@H]1C ZINC000352355601 389796334 /nfs/dbraw/zinc/79/63/34/389796334.db2.gz CYURCLLUUOMLGP-CFVMTHIKSA-N 2 2 286.416 0.567 20 0 CCADLP COCC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@H]1CCO[C@H]1C ZINC000352355601 389796336 /nfs/dbraw/zinc/79/63/36/389796336.db2.gz CYURCLLUUOMLGP-CFVMTHIKSA-N 2 2 286.416 0.567 20 0 CCADLP COCC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@H]1CCO[C@H]1C ZINC000352355601 389796340 /nfs/dbraw/zinc/79/63/40/389796340.db2.gz CYURCLLUUOMLGP-CFVMTHIKSA-N 2 2 286.416 0.567 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000352013282 389735430 /nfs/dbraw/zinc/73/54/30/389735430.db2.gz IIDWISZYRBGFBE-JHJVBQTASA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000352013282 389735434 /nfs/dbraw/zinc/73/54/34/389735434.db2.gz IIDWISZYRBGFBE-JHJVBQTASA-N 2 2 276.384 0.997 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000416435364 389743372 /nfs/dbraw/zinc/74/33/72/389743372.db2.gz ZMNYYQUSRSJQPN-VXGBXAGGSA-N 2 2 267.377 0.944 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC1(C)CC[NH2+]CC1 ZINC000416442504 389744197 /nfs/dbraw/zinc/74/41/97/389744197.db2.gz XYSVEKVXWWOPKM-GFCCVEGCSA-N 2 2 279.388 0.961 20 0 CCADLP C[C@H](C(=O)N1CCC[C@H]([NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000430437980 389801492 /nfs/dbraw/zinc/80/14/92/389801492.db2.gz WXWQTYBOXXQOPI-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC000430548670 389806797 /nfs/dbraw/zinc/80/67/97/389806797.db2.gz HDIZEHBBADMQMF-CYBMUJFWSA-N 2 2 272.393 0.574 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)Nc2ccncc2)C1 ZINC000430554572 389807369 /nfs/dbraw/zinc/80/73/69/389807369.db2.gz WAUJMXFBCOSUAN-NEPJUHHUSA-N 2 2 262.357 0.501 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)Nc2ccncc2)C1 ZINC000430554572 389807373 /nfs/dbraw/zinc/80/73/73/389807373.db2.gz WAUJMXFBCOSUAN-NEPJUHHUSA-N 2 2 262.357 0.501 20 0 CCADLP C[C@@H]1CCCN(CCC[NH+]2CCOCC2)[C@@H]1C[NH3+] ZINC000430555524 389807527 /nfs/dbraw/zinc/80/75/27/389807527.db2.gz ITNYFPVLGTUYPR-ZIAGYGMSSA-N 2 2 255.406 0.768 20 0 CCADLP c1cc(N2CC[NH+](C3CC3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000352417162 389807773 /nfs/dbraw/zinc/80/77/73/389807773.db2.gz XVLBUIKDAHLLRP-UHFFFAOYSA-N 2 2 289.383 0.598 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NCC2CCC2)C1 ZINC000430571007 389808177 /nfs/dbraw/zinc/80/81/77/389808177.db2.gz HLZSJUSCGCPNRT-AAEUAGOBSA-N 2 2 253.390 0.962 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC000430571007 389808180 /nfs/dbraw/zinc/80/81/80/389808180.db2.gz HLZSJUSCGCPNRT-AAEUAGOBSA-N 2 2 253.390 0.962 20 0 CCADLP COc1coc(C[NH2+][C@@](C)(C[NH3+])C2CC2)cc1=O ZINC000430578290 389809201 /nfs/dbraw/zinc/80/92/01/389809201.db2.gz WKPCOPNMBAFUJT-ZDUSSCGKSA-N 2 2 252.314 0.865 20 0 CCADLP COCCOCC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000352435345 389810773 /nfs/dbraw/zinc/81/07/73/389810773.db2.gz MIZFTGOKNPAHFT-UHFFFAOYSA-N 2 2 260.378 0.038 20 0 CCADLP COCCOCC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000352435345 389810776 /nfs/dbraw/zinc/81/07/76/389810776.db2.gz MIZFTGOKNPAHFT-UHFFFAOYSA-N 2 2 260.378 0.038 20 0 CCADLP CCc1cc(N2CC[C@H]3OCC[NH2+][C@H]3C2)nc(C)[nH+]1 ZINC000404286570 389811230 /nfs/dbraw/zinc/81/12/30/389811230.db2.gz XWTDBSWQCRTQHR-QWHCGFSZSA-N 2 2 262.357 0.915 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C)CC1 ZINC000430600103 389811247 /nfs/dbraw/zinc/81/12/47/389811247.db2.gz XCPVWNPEXHFLPI-INIZCTEOSA-N 3 2 298.475 0.938 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)N(C)CC2CC2)C1 ZINC000430619057 389813625 /nfs/dbraw/zinc/81/36/25/389813625.db2.gz YUUHSELVRMODKF-ZDUSSCGKSA-N 2 2 253.390 0.786 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)N(C)CC2CC2)C1 ZINC000430619057 389813628 /nfs/dbraw/zinc/81/36/28/389813628.db2.gz YUUHSELVRMODKF-ZDUSSCGKSA-N 2 2 253.390 0.786 20 0 CCADLP CNS(=O)(=O)CCC[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000430644810 389815954 /nfs/dbraw/zinc/81/59/54/389815954.db2.gz AKFNBNPKCIQNAA-QWRGUYRKSA-N 2 2 263.407 0.127 20 0 CCADLP CNS(=O)(=O)CCC[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000430644810 389815957 /nfs/dbraw/zinc/81/59/57/389815957.db2.gz AKFNBNPKCIQNAA-QWRGUYRKSA-N 2 2 263.407 0.127 20 0 CCADLP C[C@@H]1CN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC[C@@H]1[NH3+] ZINC000417431320 389816047 /nfs/dbraw/zinc/81/60/47/389816047.db2.gz ZVPXRGOYYVXJPJ-OLZOCXBDSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H]1CN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC[C@@H]1[NH3+] ZINC000417431320 389816049 /nfs/dbraw/zinc/81/60/49/389816049.db2.gz ZVPXRGOYYVXJPJ-OLZOCXBDSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCC([NH3+])CC1 ZINC000430648456 389816715 /nfs/dbraw/zinc/81/67/15/389816715.db2.gz ZCDJLPSMORHSGN-SNVBAGLBSA-N 2 2 290.367 0.536 20 0 CCADLP CC(C)(C[NH3+])C(=O)NCCCNc1cccc[nH+]1 ZINC000430707967 389819631 /nfs/dbraw/zinc/81/96/31/389819631.db2.gz ZIKZXLPCKAUPIM-UHFFFAOYSA-N 2 2 250.346 0.985 20 0 CCADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)[C@H]1COCC[NH2+]1 ZINC000430725429 389820034 /nfs/dbraw/zinc/82/00/34/389820034.db2.gz SXTFLUPJLCARAV-CQSZACIVSA-N 2 2 286.335 0.477 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC(C)(C)OCCO ZINC000352504955 389820264 /nfs/dbraw/zinc/82/02/64/389820264.db2.gz WMSYSZGPMWYCPF-DGCLKSJQSA-N 2 2 256.390 0.846 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC(C)(C)OCCO ZINC000352504955 389820266 /nfs/dbraw/zinc/82/02/66/389820266.db2.gz WMSYSZGPMWYCPF-DGCLKSJQSA-N 2 2 256.390 0.846 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000417504110 389822284 /nfs/dbraw/zinc/82/22/84/389822284.db2.gz LHJZJWXATZGQLF-GHMZBOCLSA-N 2 2 272.393 0.132 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000417504110 389822288 /nfs/dbraw/zinc/82/22/88/389822288.db2.gz LHJZJWXATZGQLF-GHMZBOCLSA-N 2 2 272.393 0.132 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H]([NH3+])c2ccccc2OC)CC1 ZINC000430830887 389828199 /nfs/dbraw/zinc/82/81/99/389828199.db2.gz RFAFJXUSYRHNEG-CQSZACIVSA-N 2 2 277.368 0.859 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2OC)CC1 ZINC000430830886 389828623 /nfs/dbraw/zinc/82/86/23/389828623.db2.gz RFAFJXUSYRHNEG-AWEZNQCLSA-N 2 2 277.368 0.859 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000430882000 389831203 /nfs/dbraw/zinc/83/12/03/389831203.db2.gz GPDSZSVUFROUDT-ZFWWWQNUSA-N 2 2 291.395 0.566 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000430882000 389831207 /nfs/dbraw/zinc/83/12/07/389831207.db2.gz GPDSZSVUFROUDT-ZFWWWQNUSA-N 2 2 291.395 0.566 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430925673 389836123 /nfs/dbraw/zinc/83/61/23/389836123.db2.gz LUKSKPYEFRYHIV-RYUDHWBXSA-N 2 2 262.419 0.869 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430925673 389836125 /nfs/dbraw/zinc/83/61/25/389836125.db2.gz LUKSKPYEFRYHIV-RYUDHWBXSA-N 2 2 262.419 0.869 20 0 CCADLP C[C@H](C[NH3+])[N@H+](C)CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000430942504 389837585 /nfs/dbraw/zinc/83/75/85/389837585.db2.gz CVDDNLBPXNTVLW-SNVBAGLBSA-N 2 2 278.356 0.393 20 0 CCADLP C[C@H](C[NH3+])[N@@H+](C)CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000430942504 389837586 /nfs/dbraw/zinc/83/75/86/389837586.db2.gz CVDDNLBPXNTVLW-SNVBAGLBSA-N 2 2 278.356 0.393 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)CC1 ZINC000430949501 389838885 /nfs/dbraw/zinc/83/88/85/389838885.db2.gz NXAVOOZNDVRRKT-DZGCQCFKSA-N 3 2 296.459 0.645 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)CC1 ZINC000430949501 389838888 /nfs/dbraw/zinc/83/88/88/389838888.db2.gz NXAVOOZNDVRRKT-DZGCQCFKSA-N 3 2 296.459 0.645 20 0 CCADLP C[C@H](C[NH3+])CNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000441614516 389839022 /nfs/dbraw/zinc/83/90/22/389839022.db2.gz QBBXUIHTAPFEAQ-CYBMUJFWSA-N 2 2 291.395 0.843 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)NCc2cccnc2)CC[C@@H]1[NH3+] ZINC000430956931 389840065 /nfs/dbraw/zinc/84/00/65/389840065.db2.gz QPTGVZBIYPGRNP-YPMHNXCESA-N 2 2 262.357 0.367 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)NCc2cccnc2)CC[C@@H]1[NH3+] ZINC000430956931 389840069 /nfs/dbraw/zinc/84/00/69/389840069.db2.gz QPTGVZBIYPGRNP-YPMHNXCESA-N 2 2 262.357 0.367 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)CC1 ZINC000430969717 389841829 /nfs/dbraw/zinc/84/18/29/389841829.db2.gz DVZWEUWQYRBEAJ-GXTWGEPZSA-N 3 2 282.432 0.256 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)CC1 ZINC000430969717 389841832 /nfs/dbraw/zinc/84/18/32/389841832.db2.gz DVZWEUWQYRBEAJ-GXTWGEPZSA-N 3 2 282.432 0.256 20 0 CCADLP [NH3+][C@@H]1CC[C@H](C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000431002715 389843356 /nfs/dbraw/zinc/84/33/56/389843356.db2.gz NRBRWFHOLGSNQR-NWDGAFQWSA-N 2 2 277.372 0.181 20 0 CCADLP C[C@]1(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CC[NH2+]C1 ZINC000431005470 389844102 /nfs/dbraw/zinc/84/41/02/389844102.db2.gz MUDPDZNDEDIYAA-AWEZNQCLSA-N 2 2 277.372 0.054 20 0 CCADLP C[C@@H](CC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)C1CC[NH2+]CC1 ZINC000431018210 389845168 /nfs/dbraw/zinc/84/51/68/389845168.db2.gz VKVKPZXNMURWBD-DZGCQCFKSA-N 2 2 296.459 0.374 20 0 CCADLP C[C@@H](CC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)C1CC[NH2+]CC1 ZINC000431018210 389845170 /nfs/dbraw/zinc/84/51/70/389845170.db2.gz VKVKPZXNMURWBD-DZGCQCFKSA-N 2 2 296.459 0.374 20 0 CCADLP COc1ccccc1[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000431032831 389846837 /nfs/dbraw/zinc/84/68/37/389846837.db2.gz MELJGYQNWZBDCQ-BXUZGUMPSA-N 2 2 277.368 0.905 20 0 CCADLP COc1ccccc1[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+]1C ZINC000431032831 389846841 /nfs/dbraw/zinc/84/68/41/389846841.db2.gz MELJGYQNWZBDCQ-BXUZGUMPSA-N 2 2 277.368 0.905 20 0 CCADLP C[C@@H]([NH3+])CN1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000442663965 389854376 /nfs/dbraw/zinc/85/43/76/389854376.db2.gz VFAZKXXAMOATQA-CQSZACIVSA-N 2 2 282.432 0.354 20 0 CCADLP CCn1nncc1C[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000417852433 389857023 /nfs/dbraw/zinc/85/70/23/389857023.db2.gz HCISRXCSVHIMOU-STQMWFEESA-N 2 2 281.404 0.887 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000418416072 389875545 /nfs/dbraw/zinc/87/55/45/389875545.db2.gz VITVNSNVGYFURM-STQMWFEESA-N 2 2 286.420 0.332 20 0 CCADLP CCn1c[nH+]cc1CNCC[N@H+](C)CCCOC ZINC000417956386 389862429 /nfs/dbraw/zinc/86/24/29/389862429.db2.gz IFSVWNJFNDHVAS-UHFFFAOYSA-N 2 2 254.378 0.961 20 0 CCADLP CCn1c[nH+]cc1CNCC[N@@H+](C)CCCOC ZINC000417956386 389862431 /nfs/dbraw/zinc/86/24/31/389862431.db2.gz IFSVWNJFNDHVAS-UHFFFAOYSA-N 2 2 254.378 0.961 20 0 CCADLP CC(C)OC(=O)CC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000444129501 389891388 /nfs/dbraw/zinc/89/13/88/389891388.db2.gz IYYKSZNFNNPLNZ-UHFFFAOYSA-N 2 2 280.372 0.869 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)C[C@@H]1[NH+]1CCOCC1 ZINC000444271202 389898535 /nfs/dbraw/zinc/89/85/35/389898535.db2.gz XMYVATZQBSNAMQ-HOSILWTGSA-N 2 2 293.411 0.165 20 0 CCADLP C[C@@H](C[NH3+])CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000418489461 389876924 /nfs/dbraw/zinc/87/69/24/389876924.db2.gz LRWXJINSXVPVKD-QWHCGFSZSA-N 2 2 284.404 0.087 20 0 CCADLP CC[N@H+](CC(=O)Nc1ccncc1)[C@H]1CCC[NH2+]CC1 ZINC000435618529 389959338 /nfs/dbraw/zinc/95/93/38/389959338.db2.gz ZDRLUHWJFZACNN-AWEZNQCLSA-N 2 2 276.384 0.906 20 0 CCADLP CC[N@@H+](CC(=O)Nc1ccncc1)[C@H]1CCC[NH2+]CC1 ZINC000435618529 389959341 /nfs/dbraw/zinc/95/93/41/389959341.db2.gz ZDRLUHWJFZACNN-AWEZNQCLSA-N 2 2 276.384 0.906 20 0 CCADLP C[C@@H](C(=O)N(C)[C@@H]1CCC[NH2+]CC1)[NH+]1CCOCC1 ZINC000435753703 389962290 /nfs/dbraw/zinc/96/22/90/389962290.db2.gz AZADOYUYKIGFHH-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP CCS(=O)(=O)NCCC[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000420264934 389975258 /nfs/dbraw/zinc/97/52/58/389975258.db2.gz AUIQZKQTECBFLF-VXGBXAGGSA-N 2 2 277.434 0.518 20 0 CCADLP CCS(=O)(=O)NCCC[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000420264934 389975261 /nfs/dbraw/zinc/97/52/61/389975261.db2.gz AUIQZKQTECBFLF-VXGBXAGGSA-N 2 2 277.434 0.518 20 0 CCADLP CCN(CC)C(=O)C[NH+]1CCN(CCC[NH2+]C)CC1 ZINC000435876032 389964734 /nfs/dbraw/zinc/96/47/34/389964734.db2.gz GMXIVLJACPYNEY-UHFFFAOYSA-N 2 2 270.421 0.082 20 0 CCADLP C[C@H](O)CNc1cc(N[C@H]2CCC[C@H]([NH3+])C2)nc[nH+]1 ZINC000420243374 389971864 /nfs/dbraw/zinc/97/18/64/389971864.db2.gz XCZZZADETVQDRE-DCAQKATOSA-N 2 2 265.361 0.951 20 0 CCADLP C[C@H](O)CNc1cc(N[C@H]2CCC[C@H]([NH3+])C2)[nH+]cn1 ZINC000420243374 389971866 /nfs/dbraw/zinc/97/18/66/389971866.db2.gz XCZZZADETVQDRE-DCAQKATOSA-N 2 2 265.361 0.951 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000433489971 389916003 /nfs/dbraw/zinc/91/60/03/389916003.db2.gz TZTAQMGXSPZGMT-CYBMUJFWSA-N 2 2 293.415 0.957 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000433489971 389916005 /nfs/dbraw/zinc/91/60/05/389916005.db2.gz TZTAQMGXSPZGMT-CYBMUJFWSA-N 2 2 293.415 0.957 20 0 CCADLP Cc1nc(NCC2([NH+](C)C)CCC2)nc(N(C)C)[nH+]1 ZINC000445606751 389923988 /nfs/dbraw/zinc/92/39/88/389923988.db2.gz AYHFZHVUCCDZDL-UHFFFAOYSA-N 2 2 264.377 0.564 20 0 CCADLP Cc1cc(NC[C@@H]2C[NH2+]C[C@H]2O)nc(C(C)C)[nH+]1 ZINC000420251212 389973385 /nfs/dbraw/zinc/97/33/85/389973385.db2.gz LATRPGWNKIYRKT-WDEREUQCSA-N 2 2 250.346 0.323 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420927342 390038243 /nfs/dbraw/zinc/03/82/43/390038243.db2.gz BKOOFSKVKCNLFU-GFCCVEGCSA-N 2 2 253.346 0.434 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420927342 390038244 /nfs/dbraw/zinc/03/82/44/390038244.db2.gz BKOOFSKVKCNLFU-GFCCVEGCSA-N 2 2 253.346 0.434 20 0 CCADLP COC(=O)CC1(C[N@H+](C)C2CC[NH+](CCO)CC2)CC1 ZINC000440703146 390042984 /nfs/dbraw/zinc/04/29/84/390042984.db2.gz HHQMXDNSSMOLAT-UHFFFAOYSA-N 2 2 284.400 0.718 20 0 CCADLP COC(=O)CC1(C[N@@H+](C)C2CC[NH+](CCO)CC2)CC1 ZINC000440703146 390042986 /nfs/dbraw/zinc/04/29/86/390042986.db2.gz HHQMXDNSSMOLAT-UHFFFAOYSA-N 2 2 284.400 0.718 20 0 CCADLP CN(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C1CC[NH2+]CC1 ZINC000420279921 389977512 /nfs/dbraw/zinc/97/75/12/389977512.db2.gz XTIBGSIOCMIVTF-OKILXGFUSA-N 2 2 253.390 0.533 20 0 CCADLP CN(CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C1CC[NH2+]CC1 ZINC000420279921 389977513 /nfs/dbraw/zinc/97/75/13/389977513.db2.gz XTIBGSIOCMIVTF-OKILXGFUSA-N 2 2 253.390 0.533 20 0 CCADLP C[C@@H](c1nnnn1C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000420312288 389981907 /nfs/dbraw/zinc/98/19/07/389981907.db2.gz IGUKKDYDGUDWON-YUTCNCBUSA-N 2 2 286.383 0.945 20 0 CCADLP C[C@@H](c1nnnn1C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000420312288 389981910 /nfs/dbraw/zinc/98/19/10/389981910.db2.gz IGUKKDYDGUDWON-YUTCNCBUSA-N 2 2 286.383 0.945 20 0 CCADLP Cc1cnc([C@H](C)[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)o1 ZINC000420314718 389983019 /nfs/dbraw/zinc/98/30/19/389983019.db2.gz WCUDJTNDUIMZRT-QWHCGFSZSA-N 2 2 292.383 0.940 20 0 CCADLP Cc1cnc([C@H](C)[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)o1 ZINC000420314718 389983021 /nfs/dbraw/zinc/98/30/21/389983021.db2.gz WCUDJTNDUIMZRT-QWHCGFSZSA-N 2 2 292.383 0.940 20 0 CCADLP C[NH2+]CC[N@H+](C)CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000420339774 389986312 /nfs/dbraw/zinc/98/63/12/389986312.db2.gz QEZJVZWFAPTWGB-UHFFFAOYSA-N 2 2 279.340 0.895 20 0 CCADLP C[NH2+]CC[N@@H+](C)CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000420339774 389986314 /nfs/dbraw/zinc/98/63/14/389986314.db2.gz QEZJVZWFAPTWGB-UHFFFAOYSA-N 2 2 279.340 0.895 20 0 CCADLP Cc1[nH+]ccn1CCCC[N@@H+]1CC(=O)N[C@@H](C)C1 ZINC000448551653 389986841 /nfs/dbraw/zinc/98/68/41/389986841.db2.gz OFDWRFWBIKAOGD-NSHDSACASA-N 2 2 250.346 0.792 20 0 CCADLP Cc1[nH+]ccn1CCCC[N@H+]1CC(=O)N[C@@H](C)C1 ZINC000448551653 389986843 /nfs/dbraw/zinc/98/68/43/389986843.db2.gz OFDWRFWBIKAOGD-NSHDSACASA-N 2 2 250.346 0.792 20 0 CCADLP CC(C)N(C(=O)[C@H](C)[N@H+](C)C[C@@H](O)C[NH3+])C(C)C ZINC000420351194 389989366 /nfs/dbraw/zinc/98/93/66/389989366.db2.gz JIPOFCOVRNVKIX-RYUDHWBXSA-N 2 2 259.394 0.272 20 0 CCADLP CC(C)N(C(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])C(C)C ZINC000420351194 389989368 /nfs/dbraw/zinc/98/93/68/389989368.db2.gz JIPOFCOVRNVKIX-RYUDHWBXSA-N 2 2 259.394 0.272 20 0 CCADLP C[N@H+](C[C@H](O)C[NH3+])[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000420356528 389991092 /nfs/dbraw/zinc/99/10/92/389991092.db2.gz QTZQMNXOGMBCSF-MFKMUULPSA-N 2 2 297.786 0.697 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH3+])[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000420356528 389991094 /nfs/dbraw/zinc/99/10/94/389991094.db2.gz QTZQMNXOGMBCSF-MFKMUULPSA-N 2 2 297.786 0.697 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000420361703 389991880 /nfs/dbraw/zinc/99/18/80/389991880.db2.gz IGLSLROSCWLZAA-HBJVGIJOSA-N 2 2 291.399 0.502 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC(=O)Nc1ccncc1 ZINC000420363824 389992878 /nfs/dbraw/zinc/99/28/78/389992878.db2.gz JXFIXLPDBAWTCN-JTNHKYCSSA-N 2 2 262.357 0.418 20 0 CCADLP O=C(NCCn1cc[nH+]c1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000457477770 390044957 /nfs/dbraw/zinc/04/49/57/390044957.db2.gz YCTYKGQMJXABJO-ZDUSSCGKSA-N 2 2 295.387 0.029 20 0 CCADLP O=C(NCCn1cc[nH+]c1)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000457477770 390044959 /nfs/dbraw/zinc/04/49/59/390044959.db2.gz YCTYKGQMJXABJO-ZDUSSCGKSA-N 2 2 295.387 0.029 20 0 CCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000439972169 390029428 /nfs/dbraw/zinc/02/94/28/390029428.db2.gz MXTCUEQDMKYPJL-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000420801378 390033084 /nfs/dbraw/zinc/03/30/84/390033084.db2.gz OPAWEDSCSPSXKW-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000420801378 390033085 /nfs/dbraw/zinc/03/30/85/390033085.db2.gz OPAWEDSCSPSXKW-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@H]1C(=O)N(CC)CC[N@H+]1CCc1c[nH+]cn1C ZINC000459431496 390074534 /nfs/dbraw/zinc/07/45/34/390074534.db2.gz RNWIMIRIQWMEHC-ZDUSSCGKSA-N 2 2 264.373 0.905 20 0 CCADLP CC[C@H]1C(=O)N(CC)CC[N@@H+]1CCc1c[nH+]cn1C ZINC000459431496 390074535 /nfs/dbraw/zinc/07/45/35/390074535.db2.gz RNWIMIRIQWMEHC-ZDUSSCGKSA-N 2 2 264.373 0.905 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000488569842 390094681 /nfs/dbraw/zinc/09/46/81/390094681.db2.gz UNYPGVCFFLDKJB-YUELXQCFSA-N 2 2 288.395 0.752 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000488569842 390094682 /nfs/dbraw/zinc/09/46/82/390094682.db2.gz UNYPGVCFFLDKJB-YUELXQCFSA-N 2 2 288.395 0.752 20 0 CCADLP O=C(NCCC[NH+]1CCCC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000490909195 390108543 /nfs/dbraw/zinc/10/85/43/390108543.db2.gz LEMYNXYKRCBZPJ-ZDUSSCGKSA-N 2 2 291.399 0.983 20 0 CCADLP COCC1(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CCOCC1 ZINC000491591596 390115173 /nfs/dbraw/zinc/11/51/73/390115173.db2.gz MRULDHHXPQGTEE-CHWSQXEVSA-N 2 2 256.390 0.969 20 0 CCADLP COCC1(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CCOCC1 ZINC000491591596 390115174 /nfs/dbraw/zinc/11/51/74/390115174.db2.gz MRULDHHXPQGTEE-CHWSQXEVSA-N 2 2 256.390 0.969 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC(C)(C)C[NH+](C)C ZINC000457805246 390050014 /nfs/dbraw/zinc/05/00/14/390050014.db2.gz DWEATWDVCBIJTC-LLVKDONJSA-N 2 2 267.377 0.911 20 0 CCADLP C[C@H](CNC(=O)NCCc1cn(C)c[nH+]1)C[NH+]1CCCC1 ZINC000457878196 390050942 /nfs/dbraw/zinc/05/09/42/390050942.db2.gz IFJTWEUTAQRSNF-CYBMUJFWSA-N 2 2 293.415 0.994 20 0 CCADLP COC1(CCNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CCC1 ZINC000579572670 390185418 /nfs/dbraw/zinc/18/54/18/390185418.db2.gz LRIPJUTUYQUUFM-GFCCVEGCSA-N 2 2 284.404 0.230 20 0 CCADLP COC1(CCNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CCC1 ZINC000579572670 390185421 /nfs/dbraw/zinc/18/54/21/390185421.db2.gz LRIPJUTUYQUUFM-GFCCVEGCSA-N 2 2 284.404 0.230 20 0 CCADLP Cc1ncc(/C=C/C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])s1 ZINC000493361198 390124089 /nfs/dbraw/zinc/12/40/89/390124089.db2.gz WTIKUOAFVHELET-PGLGOXFNSA-N 2 2 280.397 0.566 20 0 CCADLP Cc1ncc(/C=C/C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])s1 ZINC000493361198 390124090 /nfs/dbraw/zinc/12/40/90/390124090.db2.gz WTIKUOAFVHELET-PGLGOXFNSA-N 2 2 280.397 0.566 20 0 CCADLP CC[NH+]1CCN([C@H](C)CNC(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493392395 390124619 /nfs/dbraw/zinc/12/46/19/390124619.db2.gz SFKKDTMEKORBDB-MUBLQREKSA-N 2 2 291.399 0.565 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000493812691 390127807 /nfs/dbraw/zinc/12/78/07/390127807.db2.gz CFSPWRSHJLGSFL-CIUCYMIDSA-N 2 2 292.383 0.881 20 0 CCADLP CCCNC(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534581770 390129640 /nfs/dbraw/zinc/12/96/40/390129640.db2.gz XXDNYHQQDLPAOE-LLVKDONJSA-N 2 2 250.346 0.736 20 0 CCADLP CCCNC(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534581770 390129643 /nfs/dbraw/zinc/12/96/43/390129643.db2.gz XXDNYHQQDLPAOE-LLVKDONJSA-N 2 2 250.346 0.736 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC2(C)COC2)CC1 ZINC000534717661 390130955 /nfs/dbraw/zinc/13/09/55/390130955.db2.gz PQYKQTULKFZFEJ-UHFFFAOYSA-N 2 2 298.431 0.348 20 0 CCADLP O=C(NC[C@H]1CC[NH2+]C1)C1CC[NH+](CC(F)F)CC1 ZINC000644110245 390135172 /nfs/dbraw/zinc/13/51/72/390135172.db2.gz RKMGHGQZOVLNCT-JTQLQIEISA-N 2 2 275.343 0.689 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)[C@H](C[NH3+])C1 ZINC000579091481 390139795 /nfs/dbraw/zinc/13/97/95/390139795.db2.gz VLJQTYOFQMKEOU-FVCCEPFGSA-N 2 2 266.389 0.459 20 0 CCADLP CCCCNC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000579593272 390188843 /nfs/dbraw/zinc/18/88/43/390188843.db2.gz ZKKKNSLAVIMYIE-AWEZNQCLSA-N 2 2 253.390 0.978 20 0 CCADLP CCCCNC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000579593272 390188849 /nfs/dbraw/zinc/18/88/49/390188849.db2.gz ZKKKNSLAVIMYIE-AWEZNQCLSA-N 2 2 253.390 0.978 20 0 CCADLP O=C(c1ccc(-n2cc[nH+]c2)nn1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000579115009 390142389 /nfs/dbraw/zinc/14/23/89/390142389.db2.gz HNCMVCFUADAFRF-LBPRGKRZSA-N 2 2 298.350 0.629 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)Nc2ccncc2)C1 ZINC000535313755 390142753 /nfs/dbraw/zinc/14/27/53/390142753.db2.gz OBJJSQNFAIIIIX-LBPRGKRZSA-N 2 2 285.351 0.665 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)Nc2ccncc2)C1 ZINC000535313755 390142755 /nfs/dbraw/zinc/14/27/55/390142755.db2.gz OBJJSQNFAIIIIX-LBPRGKRZSA-N 2 2 285.351 0.665 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@H]2CC2(C)C)[C@@H](C[NH3+])C1 ZINC000579333048 390162035 /nfs/dbraw/zinc/16/20/35/390162035.db2.gz NKELRUDDWJEYHX-MNOVXSKESA-N 2 2 254.378 0.317 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@H]2CC2(C)C)[C@@H](C[NH3+])C1 ZINC000579333048 390162041 /nfs/dbraw/zinc/16/20/41/390162041.db2.gz NKELRUDDWJEYHX-MNOVXSKESA-N 2 2 254.378 0.317 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CC2(C)C)[C@H](C[NH3+])C1 ZINC000579333051 390162536 /nfs/dbraw/zinc/16/25/36/390162536.db2.gz NKELRUDDWJEYHX-WDEREUQCSA-N 2 2 254.378 0.317 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CC2(C)C)[C@H](C[NH3+])C1 ZINC000579333051 390162537 /nfs/dbraw/zinc/16/25/37/390162537.db2.gz NKELRUDDWJEYHX-WDEREUQCSA-N 2 2 254.378 0.317 20 0 CCADLP C[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000647888086 390207947 /nfs/dbraw/zinc/20/79/47/390207947.db2.gz KBKZBIMZPBTJSZ-JHJVBQTASA-N 2 2 274.430 0.884 20 0 CCADLP C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000647888086 390207951 /nfs/dbraw/zinc/20/79/51/390207951.db2.gz KBKZBIMZPBTJSZ-JHJVBQTASA-N 2 2 274.430 0.884 20 0 CCADLP O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C(F)(F)F ZINC000579824836 390211489 /nfs/dbraw/zinc/21/14/89/390211489.db2.gz WJWQHOYODGCMRD-QJPTWQEYSA-N 2 2 296.333 0.877 20 0 CCADLP C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000647905595 390212634 /nfs/dbraw/zinc/21/26/34/390212634.db2.gz ZYVIIWKFADOTTJ-BBBLOLIVSA-N 2 2 279.392 0.080 20 0 CCADLP C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000647905595 390212638 /nfs/dbraw/zinc/21/26/38/390212638.db2.gz ZYVIIWKFADOTTJ-BBBLOLIVSA-N 2 2 279.392 0.080 20 0 CCADLP CC(C)C[N@@H+](CC(N)=O)C[C@H](O)C[NH+](C)C(C)C ZINC000647958135 390227070 /nfs/dbraw/zinc/22/70/70/390227070.db2.gz ARAHSEILOPJMIV-GFCCVEGCSA-N 2 2 259.394 0.131 20 0 CCADLP CC(C)C[N@H+](CC(N)=O)C[C@H](O)C[NH+](C)C(C)C ZINC000647958135 390227073 /nfs/dbraw/zinc/22/70/73/390227073.db2.gz ARAHSEILOPJMIV-GFCCVEGCSA-N 2 2 259.394 0.131 20 0 CCADLP CC(C)C[NH+](CC(N)=O)C[C@H](O)C[N@H+](C)C(C)C ZINC000647958135 390227076 /nfs/dbraw/zinc/22/70/76/390227076.db2.gz ARAHSEILOPJMIV-GFCCVEGCSA-N 2 2 259.394 0.131 20 0 CCADLP CC(C)C[NH+](CC(N)=O)C[C@H](O)C[N@@H+](C)C(C)C ZINC000647958135 390227078 /nfs/dbraw/zinc/22/70/78/390227078.db2.gz ARAHSEILOPJMIV-GFCCVEGCSA-N 2 2 259.394 0.131 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000494686194 390192523 /nfs/dbraw/zinc/19/25/23/390192523.db2.gz MYFSTNDDYFPKPR-QJPTWQEYSA-N 2 2 257.378 0.195 20 0 CCADLP C[C@@H](CCCC[NH3+])NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000494712392 390196290 /nfs/dbraw/zinc/19/62/90/390196290.db2.gz VHHUZFDPDAXRET-RYUDHWBXSA-N 2 2 257.378 0.341 20 0 CCADLP CCCNC(=O)C1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000647963367 390229863 /nfs/dbraw/zinc/22/98/63/390229863.db2.gz RAIOYCXKFQXJOH-HNNXBMFYSA-N 2 2 299.459 0.926 20 0 CCADLP CCCNC(=O)C1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000647963367 390229866 /nfs/dbraw/zinc/22/98/66/390229866.db2.gz RAIOYCXKFQXJOH-HNNXBMFYSA-N 2 2 299.459 0.926 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCc1c[nH+]c2n1CCCC2 ZINC000580225838 390232244 /nfs/dbraw/zinc/23/22/44/390232244.db2.gz GGLNMSSTHWSZRV-UHFFFAOYSA-N 2 2 259.313 0.732 20 0 CCADLP CN1C[C@H](C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)OC1=O ZINC000496054318 390290189 /nfs/dbraw/zinc/29/01/89/390290189.db2.gz BNXABOITZRQIIP-CHWSQXEVSA-N 2 2 267.373 0.855 20 0 CCADLP CN1C[C@H](C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)OC1=O ZINC000496054318 390290191 /nfs/dbraw/zinc/29/01/91/390290191.db2.gz BNXABOITZRQIIP-CHWSQXEVSA-N 2 2 267.373 0.855 20 0 CCADLP CCN(C)C(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000583572416 390294317 /nfs/dbraw/zinc/29/43/17/390294317.db2.gz HCXDJEXIPWASBL-NSHDSACASA-N 2 2 250.346 0.688 20 0 CCADLP CCN(C)C(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000583572416 390294318 /nfs/dbraw/zinc/29/43/18/390294318.db2.gz HCXDJEXIPWASBL-NSHDSACASA-N 2 2 250.346 0.688 20 0 CCADLP CN1C[C@H](C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)OC1=O ZINC000495733961 390245616 /nfs/dbraw/zinc/24/56/16/390245616.db2.gz YSPXHGMMKPQOON-TZMCWYRMSA-N 2 2 267.373 0.855 20 0 CCADLP CN1C[C@H](C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)OC1=O ZINC000495733961 390245619 /nfs/dbraw/zinc/24/56/19/390245619.db2.gz YSPXHGMMKPQOON-TZMCWYRMSA-N 2 2 267.373 0.855 20 0 CCADLP CN1C[C@H](C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)OC1=O ZINC000495733961 390245621 /nfs/dbraw/zinc/24/56/21/390245621.db2.gz YSPXHGMMKPQOON-TZMCWYRMSA-N 2 2 267.373 0.855 20 0 CCADLP CN1C[C@H](C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)OC1=O ZINC000495733961 390245622 /nfs/dbraw/zinc/24/56/22/390245622.db2.gz YSPXHGMMKPQOON-TZMCWYRMSA-N 2 2 267.373 0.855 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000644547664 390250245 /nfs/dbraw/zinc/25/02/45/390250245.db2.gz GBFFGGZSKVWFTP-AVGNSLFASA-N 2 2 260.378 0.083 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000644547664 390250249 /nfs/dbraw/zinc/25/02/49/390250249.db2.gz GBFFGGZSKVWFTP-AVGNSLFASA-N 2 2 260.378 0.083 20 0 CCADLP CCO[C@@H]1C[C@]([NH3+])(c2nc(C[NH2+]C)no2)C1(C)C ZINC000582121560 390261629 /nfs/dbraw/zinc/26/16/29/390261629.db2.gz USEVMENLFHCBMK-PELKAZGASA-N 2 2 254.334 0.778 20 0 CCADLP COCC[N@@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccccn2)C1 ZINC000542486983 390261928 /nfs/dbraw/zinc/26/19/28/390261928.db2.gz XWYURCCKCYHTFI-ZDUSSCGKSA-N 2 2 292.383 0.721 20 0 CCADLP COCC[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccccn2)C1 ZINC000542486983 390261931 /nfs/dbraw/zinc/26/19/31/390261931.db2.gz XWYURCCKCYHTFI-ZDUSSCGKSA-N 2 2 292.383 0.721 20 0 CCADLP CNC(=O)Cc1nc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cs1 ZINC000582184082 390268320 /nfs/dbraw/zinc/26/83/20/390268320.db2.gz LHPUFUGALUYPGY-LLVKDONJSA-N 2 2 296.440 0.909 20 0 CCADLP C[N@@H+]1C[C@H]2CCN(CC[NH+]3C[C@H]4CC[C@@H](C3)O4)[C@@H]2C1 ZINC000644734321 390298503 /nfs/dbraw/zinc/29/85/03/390298503.db2.gz NWPBVLPHLKPCME-APIJFGDWSA-N 2 2 265.401 0.486 20 0 CCADLP C[N@H+]1C[C@H]2CCN(CC[NH+]3C[C@H]4CC[C@@H](C3)O4)[C@@H]2C1 ZINC000644734321 390298505 /nfs/dbraw/zinc/29/85/05/390298505.db2.gz NWPBVLPHLKPCME-APIJFGDWSA-N 2 2 265.401 0.486 20 0 CCADLP C[NH+]1C[C@H]2CCN(CC[N@H+]3C[C@H]4CC[C@@H](C3)O4)[C@@H]2C1 ZINC000644734321 390298511 /nfs/dbraw/zinc/29/85/11/390298511.db2.gz NWPBVLPHLKPCME-APIJFGDWSA-N 2 2 265.401 0.486 20 0 CCADLP C[NH+]1C[C@H]2CCN(CC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)[C@@H]2C1 ZINC000644734321 390298514 /nfs/dbraw/zinc/29/85/14/390298514.db2.gz NWPBVLPHLKPCME-APIJFGDWSA-N 2 2 265.401 0.486 20 0 CCADLP C[C@@H](C(=O)N1CCC[C@H](CC[NH3+])C1)[NH+]1CCN(C)CC1 ZINC000648130076 390299768 /nfs/dbraw/zinc/29/97/68/390299768.db2.gz HHUWYRAJXZLQBF-UONOGXRCSA-N 2 2 282.432 0.210 20 0 CCADLP CCC(=O)N1CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)CC1 ZINC000583662550 390303435 /nfs/dbraw/zinc/30/34/35/390303435.db2.gz JCIUIQABTFKXJU-AWEZNQCLSA-N 2 2 283.416 0.386 20 0 CCADLP CCC(=O)N1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000583662550 390303442 /nfs/dbraw/zinc/30/34/42/390303442.db2.gz JCIUIQABTFKXJU-AWEZNQCLSA-N 2 2 283.416 0.386 20 0 CCADLP CCC(=O)N1CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000583662550 390303446 /nfs/dbraw/zinc/30/34/46/390303446.db2.gz JCIUIQABTFKXJU-AWEZNQCLSA-N 2 2 283.416 0.386 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000583750296 390307302 /nfs/dbraw/zinc/30/73/02/390307302.db2.gz HGQSZGFZOOSVJW-WDEREUQCSA-N 2 2 266.345 0.827 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000583760670 390309370 /nfs/dbraw/zinc/30/93/70/390309370.db2.gz IGHUQIDYFVDUHD-SNPRPXQTSA-N 2 2 286.416 0.425 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000583760670 390309372 /nfs/dbraw/zinc/30/93/72/390309372.db2.gz IGHUQIDYFVDUHD-SNPRPXQTSA-N 2 2 286.416 0.425 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000583760670 390309376 /nfs/dbraw/zinc/30/93/76/390309376.db2.gz IGHUQIDYFVDUHD-SNPRPXQTSA-N 2 2 286.416 0.425 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CCS(=O)(=O)N(C)C)C[C@@H]1C ZINC000336808763 285370342 /nfs/dbraw/zinc/37/03/42/285370342.db2.gz CTUPTXDBGCYCRV-QWHCGFSZSA-N 2 2 291.461 0.682 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CCS(=O)(=O)N(C)C)C[C@@H]1C ZINC000336808763 285370343 /nfs/dbraw/zinc/37/03/43/285370343.db2.gz CTUPTXDBGCYCRV-QWHCGFSZSA-N 2 2 291.461 0.682 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CCS(=O)(=O)N(C)C)C[C@@H]1C ZINC000336808763 285370344 /nfs/dbraw/zinc/37/03/44/285370344.db2.gz CTUPTXDBGCYCRV-QWHCGFSZSA-N 2 2 291.461 0.682 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CCS(=O)(=O)N(C)C)C[C@@H]1C ZINC000336808763 285370345 /nfs/dbraw/zinc/37/03/45/285370345.db2.gz CTUPTXDBGCYCRV-QWHCGFSZSA-N 2 2 291.461 0.682 20 0 CCADLP CC1(OCC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C[NH2+]C1 ZINC000648158518 390318702 /nfs/dbraw/zinc/31/87/02/390318702.db2.gz ACCSCULPLNECOQ-GFCCVEGCSA-N 2 2 290.367 0.155 20 0 CCADLP CCc1ncc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)s1 ZINC000584005398 390333849 /nfs/dbraw/zinc/33/38/49/390333849.db2.gz SHDKSBWWITYSIK-MWLCHTKSSA-N 2 2 280.397 0.449 20 0 CCADLP CCc1ncc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)s1 ZINC000584005398 390333854 /nfs/dbraw/zinc/33/38/54/390333854.db2.gz SHDKSBWWITYSIK-MWLCHTKSSA-N 2 2 280.397 0.449 20 0 CCADLP C[NH+]1CCCC[C@@H]1CCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000584409876 390341629 /nfs/dbraw/zinc/34/16/29/390341629.db2.gz XXKVHCBXACJCHG-ZIAGYGMSSA-N 3 2 282.432 0.352 20 0 CCADLP C[NH+]1CCCC[C@@H]1CCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000584409876 390341632 /nfs/dbraw/zinc/34/16/32/390341632.db2.gz XXKVHCBXACJCHG-ZIAGYGMSSA-N 3 2 282.432 0.352 20 0 CCADLP C[NH+]1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)[C@H](C[NH3+])C1 ZINC000584409876 390341636 /nfs/dbraw/zinc/34/16/36/390341636.db2.gz XXKVHCBXACJCHG-ZIAGYGMSSA-N 3 2 282.432 0.352 20 0 CCADLP C[NH+]1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)[C@H](C[NH3+])C1 ZINC000584409876 390341638 /nfs/dbraw/zinc/34/16/38/390341638.db2.gz XXKVHCBXACJCHG-ZIAGYGMSSA-N 3 2 282.432 0.352 20 0 CCADLP CC[C@@H](O)CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645294273 390405384 /nfs/dbraw/zinc/40/53/84/390405384.db2.gz BIHHPVHZSZZXFR-GXTWGEPZSA-N 2 2 298.431 0.225 20 0 CCADLP CC[C@@H](O)CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645294273 390405387 /nfs/dbraw/zinc/40/53/87/390405387.db2.gz BIHHPVHZSZZXFR-GXTWGEPZSA-N 2 2 298.431 0.225 20 0 CCADLP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633031109 390411045 /nfs/dbraw/zinc/41/10/45/390411045.db2.gz SAOBVKXFXRMPGS-PHIMTYICSA-N 2 2 299.334 0.236 20 0 CCADLP C[NH+](C)[C@@H]1CCN(c2nc(N[C@@H]3CCCOC3)cc[nH+]2)C1 ZINC000548027010 390414654 /nfs/dbraw/zinc/41/46/54/390414654.db2.gz LJPOKLCHMPYVKO-CHWSQXEVSA-N 2 2 291.399 0.630 20 0 CCADLP CC1(C)C[NH2+][C@@H]1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000645376656 390417397 /nfs/dbraw/zinc/41/73/97/390417397.db2.gz SPRQYUQFSPJUFV-CYBMUJFWSA-N 2 2 276.384 0.876 20 0 CCADLP CN(C)C(=O)O[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000497156711 390428487 /nfs/dbraw/zinc/42/84/87/390428487.db2.gz ZTARYKHYQPXLPX-ZIAGYGMSSA-N 2 2 299.415 0.604 20 0 CCADLP CN(C)C(=O)O[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000497156711 390428490 /nfs/dbraw/zinc/42/84/90/390428490.db2.gz ZTARYKHYQPXLPX-ZIAGYGMSSA-N 2 2 299.415 0.604 20 0 CCADLP CN(C)C(=O)O[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000497156711 390428492 /nfs/dbraw/zinc/42/84/92/390428492.db2.gz ZTARYKHYQPXLPX-ZIAGYGMSSA-N 2 2 299.415 0.604 20 0 CCADLP CN(C)C(=O)O[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000497156711 390428494 /nfs/dbraw/zinc/42/84/94/390428494.db2.gz ZTARYKHYQPXLPX-ZIAGYGMSSA-N 2 2 299.415 0.604 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC000554564894 390433566 /nfs/dbraw/zinc/43/35/66/390433566.db2.gz ZSZLFYVKTWSHID-GFCCVEGCSA-N 2 2 264.373 0.953 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC000554564894 390433568 /nfs/dbraw/zinc/43/35/68/390433568.db2.gz ZSZLFYVKTWSHID-GFCCVEGCSA-N 2 2 264.373 0.953 20 0 CCADLP CCOC(=O)N[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000497253110 390445264 /nfs/dbraw/zinc/44/52/64/390445264.db2.gz PCNSOARTLSXVIY-QWHCGFSZSA-N 2 2 287.404 0.510 20 0 CCADLP CCOC(=O)N[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000497253110 390445267 /nfs/dbraw/zinc/44/52/67/390445267.db2.gz PCNSOARTLSXVIY-QWHCGFSZSA-N 2 2 287.404 0.510 20 0 CCADLP CCOC(=O)N[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)CC)C1 ZINC000497253110 390445270 /nfs/dbraw/zinc/44/52/70/390445270.db2.gz PCNSOARTLSXVIY-QWHCGFSZSA-N 2 2 287.404 0.510 20 0 CCADLP CCOC(=O)N[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)CC)C1 ZINC000497253110 390445274 /nfs/dbraw/zinc/44/52/74/390445274.db2.gz PCNSOARTLSXVIY-QWHCGFSZSA-N 2 2 287.404 0.510 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H](CO)Cc1ccco1 ZINC000643450988 390447274 /nfs/dbraw/zinc/44/72/74/390447274.db2.gz PQKJBNNDCANUAQ-HZSPNIEDSA-N 2 2 282.384 0.787 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000643452402 390448054 /nfs/dbraw/zinc/44/80/54/390448054.db2.gz RLRJJXBJJAKBOC-FMKPAKJESA-N 3 2 280.460 0.743 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000643452402 390448056 /nfs/dbraw/zinc/44/80/56/390448056.db2.gz RLRJJXBJJAKBOC-FMKPAKJESA-N 3 2 280.460 0.743 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000643452402 390448058 /nfs/dbraw/zinc/44/80/58/390448058.db2.gz RLRJJXBJJAKBOC-FMKPAKJESA-N 3 2 280.460 0.743 20 0 CCADLP CCOCC[C@@H](O)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000519596529 390514800 /nfs/dbraw/zinc/51/48/00/390514800.db2.gz JPGLJLDCIYZTKR-NWDGAFQWSA-N 2 2 253.346 0.575 20 0 CCADLP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C1CC1 ZINC000643465755 390449695 /nfs/dbraw/zinc/44/96/95/390449695.db2.gz SDIXFEWIIXXGMB-GXSJLCMTSA-N 2 2 250.350 0.615 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H](O)C3CCC3)C2)CC1 ZINC000648937815 390451184 /nfs/dbraw/zinc/45/11/84/390451184.db2.gz BDROXINGWMRSHY-DZGCQCFKSA-N 2 2 295.427 0.432 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H](O)C3CCC3)C2)CC1 ZINC000648937815 390451188 /nfs/dbraw/zinc/45/11/88/390451188.db2.gz BDROXINGWMRSHY-DZGCQCFKSA-N 2 2 295.427 0.432 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)COC3(C)C[NH2+]C3)cn21 ZINC000649330044 390588042 /nfs/dbraw/zinc/58/80/42/390588042.db2.gz SUBKRGPIHWCUGC-UHFFFAOYSA-N 2 2 288.351 0.637 20 0 CCADLP CC1(C)C[NH2+][C@@H]1C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000649278861 390545480 /nfs/dbraw/zinc/54/54/80/390545480.db2.gz IBCQSBDOSVHKBS-QWHCGFSZSA-N 2 2 281.400 0.308 20 0 CCADLP C[N@@H+]1CCN(C(=O)c2ccnc3ccncc32)[C@H](C[NH3+])C1 ZINC000565832242 390549861 /nfs/dbraw/zinc/54/98/61/390549861.db2.gz QWCLMDNVVCOXHB-LLVKDONJSA-N 2 2 285.351 0.345 20 0 CCADLP C[N@H+]1CCN(C(=O)c2ccnc3ccncc32)[C@H](C[NH3+])C1 ZINC000565832242 390549865 /nfs/dbraw/zinc/54/98/65/390549865.db2.gz QWCLMDNVVCOXHB-LLVKDONJSA-N 2 2 285.351 0.345 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3[NH2+]CC3(C)C)C2)CC1 ZINC000645977672 390555496 /nfs/dbraw/zinc/55/54/96/390555496.db2.gz HWZNJBYXDZDTDH-JSGCOSHPSA-N 3 2 294.443 0.269 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3[NH2+]CC3(C)C)C2)CC1 ZINC000645977672 390555500 /nfs/dbraw/zinc/55/55/00/390555500.db2.gz HWZNJBYXDZDTDH-JSGCOSHPSA-N 3 2 294.443 0.269 20 0 CCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)COCC[NH3+])CC1 ZINC000645996690 390562519 /nfs/dbraw/zinc/56/25/19/390562519.db2.gz DIMSMOZCVTWGLY-ZDUSSCGKSA-N 2 2 292.383 0.262 20 0 CCADLP O=C(NCC[NH+]1Cc2ccccc2C1)[C@@H]1CSC[NH2+]1 ZINC000649306384 390567199 /nfs/dbraw/zinc/56/71/99/390567199.db2.gz OJBZNLZPOZVVJB-ZDUSSCGKSA-N 2 2 277.393 0.781 20 0 CCADLP CC1(OCC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C[NH2+]C1 ZINC000649312112 390571365 /nfs/dbraw/zinc/57/13/65/390571365.db2.gz QQJGQSAGKAMOSH-UHFFFAOYSA-N 2 2 278.356 0.494 20 0 CCADLP O[C@@H]1CCC[C@H]1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000566088890 390575789 /nfs/dbraw/zinc/57/57/89/390575789.db2.gz HDARSJHFDNPWGL-REWJHTLYSA-N 2 2 254.374 0.504 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000646157676 390620132 /nfs/dbraw/zinc/62/01/32/390620132.db2.gz ZWCQBWQUJKQQSD-CQSZACIVSA-N 2 2 294.399 0.626 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000566479594 390620203 /nfs/dbraw/zinc/62/02/03/390620203.db2.gz QZQKIPKRKYQMID-LLVKDONJSA-N 2 2 277.372 0.990 20 0 CCADLP COc1c(N)nc[nH+]c1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000566479594 390620206 /nfs/dbraw/zinc/62/02/06/390620206.db2.gz QZQKIPKRKYQMID-LLVKDONJSA-N 2 2 277.372 0.990 20 0 CCADLP CC1(C)CC[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000522012776 390622279 /nfs/dbraw/zinc/62/22/79/390622279.db2.gz WDOHUDBNDHRQOW-UHFFFAOYSA-N 2 2 295.427 0.699 20 0 CCADLP CC1(C)CC[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000522012776 390622281 /nfs/dbraw/zinc/62/22/81/390622281.db2.gz WDOHUDBNDHRQOW-UHFFFAOYSA-N 2 2 295.427 0.699 20 0 CCADLP [NH3+]Cc1ccc(CNC(=O)NCCn2cc[nH+]c2)cc1 ZINC000646181805 390626747 /nfs/dbraw/zinc/62/67/47/390626747.db2.gz OBRFHNPUHQPAKS-UHFFFAOYSA-N 2 2 273.340 0.841 20 0 CCADLP CCOC(=O)[C@@](C)(O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000566540852 390627303 /nfs/dbraw/zinc/62/73/03/390627303.db2.gz LOGVZDOPHRFEHL-RISCZKNCSA-N 2 2 281.356 0.524 20 0 CCADLP CCOC(=O)[C@@](C)(O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000566540852 390627307 /nfs/dbraw/zinc/62/73/07/390627307.db2.gz LOGVZDOPHRFEHL-RISCZKNCSA-N 2 2 281.356 0.524 20 0 CCADLP C[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C1CCCC1 ZINC000566668408 390636791 /nfs/dbraw/zinc/63/67/91/390636791.db2.gz AYRIZKXNINHIDJ-YPMHNXCESA-N 2 2 268.405 0.849 20 0 CCADLP C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C1CCCC1 ZINC000566668408 390636794 /nfs/dbraw/zinc/63/67/94/390636794.db2.gz AYRIZKXNINHIDJ-YPMHNXCESA-N 2 2 268.405 0.849 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCCSC2)[C@H](C[NH3+])C1 ZINC000566727935 390641610 /nfs/dbraw/zinc/64/16/10/390641610.db2.gz XLMVMBKXCAZQHT-NWDGAFQWSA-N 2 2 286.445 0.414 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCCSC2)[C@H](C[NH3+])C1 ZINC000566727935 390641614 /nfs/dbraw/zinc/64/16/14/390641614.db2.gz XLMVMBKXCAZQHT-NWDGAFQWSA-N 2 2 286.445 0.414 20 0 CCADLP Cc1cccc(C)c1NCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000566737090 390642420 /nfs/dbraw/zinc/64/24/20/390642420.db2.gz XSNLSXFOFFKQOB-CQSZACIVSA-N 2 2 290.411 0.817 20 0 CCADLP Cc1cccc(C)c1NCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000566737090 390642421 /nfs/dbraw/zinc/64/24/21/390642421.db2.gz XSNLSXFOFFKQOB-CQSZACIVSA-N 2 2 290.411 0.817 20 0 CCADLP Cc1cccc2[nH+]c(CCNC(=O)N3CC[NH2+]CC3)cn21 ZINC000646234291 390645454 /nfs/dbraw/zinc/64/54/54/390645454.db2.gz HPDRINUBERRXBO-UHFFFAOYSA-N 2 2 287.367 0.800 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000646265260 390654009 /nfs/dbraw/zinc/65/40/09/390654009.db2.gz QKAMAACFEDPAGY-NWDGAFQWSA-N 2 2 278.356 0.140 20 0 CCADLP C[C@@H]1CC[N@H+](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC000524774501 390654954 /nfs/dbraw/zinc/65/49/54/390654954.db2.gz LPIQBYFVGBFUGA-GFCCVEGCSA-N 2 2 250.346 0.731 20 0 CCADLP C[C@@H]1CC[N@@H+](CCNC(=O)CCn2cc[nH+]c2)C1 ZINC000524774501 390654958 /nfs/dbraw/zinc/65/49/58/390654958.db2.gz LPIQBYFVGBFUGA-GFCCVEGCSA-N 2 2 250.346 0.731 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCc2nccs2)C[C@H](C)O1 ZINC000566909891 390658274 /nfs/dbraw/zinc/65/82/74/390658274.db2.gz QLLVUGFQQPPKGO-XQQFMLRXSA-N 2 2 299.440 0.745 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCc2nccs2)C[C@H](C)O1 ZINC000566909891 390658277 /nfs/dbraw/zinc/65/82/77/390658277.db2.gz QLLVUGFQQPPKGO-XQQFMLRXSA-N 2 2 299.440 0.745 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@H]([NH3+])CC(F)F ZINC000566191211 390595366 /nfs/dbraw/zinc/59/53/66/390595366.db2.gz ZCNORRBKOREFIE-SECBINFHSA-N 2 2 260.288 0.714 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000521072409 390596140 /nfs/dbraw/zinc/59/61/40/390596140.db2.gz UWLDXULAJUOIHW-HNNXBMFYSA-N 2 2 288.395 0.678 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)N2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000521072409 390596142 /nfs/dbraw/zinc/59/61/42/390596142.db2.gz UWLDXULAJUOIHW-HNNXBMFYSA-N 2 2 288.395 0.678 20 0 CCADLP Cn1nccc1CC[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1 ZINC000643959709 390607008 /nfs/dbraw/zinc/60/70/08/390607008.db2.gz DOARJWFPECMETB-ZNMIVQPWSA-N 2 2 278.400 0.540 20 0 CCADLP Cn1nccc1CC[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1 ZINC000643959709 390607010 /nfs/dbraw/zinc/60/70/10/390607010.db2.gz DOARJWFPECMETB-ZNMIVQPWSA-N 2 2 278.400 0.540 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000566452901 390610853 /nfs/dbraw/zinc/61/08/53/390610853.db2.gz LWFPTUBQWQVNCV-ZIAGYGMSSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000566452901 390610856 /nfs/dbraw/zinc/61/08/56/390610856.db2.gz LWFPTUBQWQVNCV-ZIAGYGMSSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@H](C(=O)NCCc1c[nH+]cn1C)[NH+]1CC(C)C1 ZINC000566925007 390660484 /nfs/dbraw/zinc/66/04/84/390660484.db2.gz WZXKZSWGODEHHE-LLVKDONJSA-N 2 2 250.346 0.419 20 0 CCADLP C[NH+](C)CCCCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000570872455 390722909 /nfs/dbraw/zinc/72/29/09/390722909.db2.gz AXYWARFSXRROEO-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP C[NH+](C)CCCCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000570872455 390722910 /nfs/dbraw/zinc/72/29/10/390722910.db2.gz AXYWARFSXRROEO-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP C[N@@H+]1CCN(C(=O)CNc2ccccc2Cl)[C@H](C[NH3+])C1 ZINC000646831994 390725483 /nfs/dbraw/zinc/72/54/83/390725483.db2.gz UKSOALUZMFEUKG-LLVKDONJSA-N 2 2 296.802 0.853 20 0 CCADLP C[N@H+]1CCN(C(=O)CNc2ccccc2Cl)[C@H](C[NH3+])C1 ZINC000646831994 390725486 /nfs/dbraw/zinc/72/54/86/390725486.db2.gz UKSOALUZMFEUKG-LLVKDONJSA-N 2 2 296.802 0.853 20 0 CCADLP C[N@H+]1CCN(C(=O)c2cccc3[nH]ncc32)[C@H](C[NH3+])C1 ZINC000571404452 390734046 /nfs/dbraw/zinc/73/40/46/390734046.db2.gz QLWTVKOPTOAGCZ-SNVBAGLBSA-N 2 2 273.340 0.278 20 0 CCADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](C)[NH3+])C2)CC1 ZINC000567051874 390668413 /nfs/dbraw/zinc/66/84/13/390668413.db2.gz CEXFTTAIXIBLCY-UONOGXRCSA-N 3 2 254.422 0.434 20 0 CCADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](C)[NH3+])C2)CC1 ZINC000567051874 390668415 /nfs/dbraw/zinc/66/84/15/390668415.db2.gz CEXFTTAIXIBLCY-UONOGXRCSA-N 3 2 254.422 0.434 20 0 CCADLP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000527033996 390689353 /nfs/dbraw/zinc/68/93/53/390689353.db2.gz YOYNDPOMOLLFQM-GXTWGEPZSA-N 2 2 278.400 0.844 20 0 CCADLP COC[C@H](C)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000527116787 390692642 /nfs/dbraw/zinc/69/26/42/390692642.db2.gz DQWQFQLMDBQAJO-GFCCVEGCSA-N 2 2 252.362 0.810 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1CCC[C@@H]1O ZINC000571815647 390754430 /nfs/dbraw/zinc/75/44/30/390754430.db2.gz IQCMNVPVFVZICJ-IHRRRGAJSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@@H]1CCC[C@@H]1O ZINC000571815647 390754432 /nfs/dbraw/zinc/75/44/32/390754432.db2.gz IQCMNVPVFVZICJ-IHRRRGAJSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000571815647 390754434 /nfs/dbraw/zinc/75/44/34/390754434.db2.gz IQCMNVPVFVZICJ-IHRRRGAJSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000571815647 390754435 /nfs/dbraw/zinc/75/44/35/390754435.db2.gz IQCMNVPVFVZICJ-IHRRRGAJSA-N 2 2 274.405 0.018 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC2(C(F)(F)F)CC2)[C@@H](C[NH3+])C1 ZINC000571865352 390756368 /nfs/dbraw/zinc/75/63/68/390756368.db2.gz FTOWXLSVYARVIQ-VIFPVBQESA-N 2 2 294.321 0.613 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC2(C(F)(F)F)CC2)[C@@H](C[NH3+])C1 ZINC000571865352 390756369 /nfs/dbraw/zinc/75/63/69/390756369.db2.gz FTOWXLSVYARVIQ-VIFPVBQESA-N 2 2 294.321 0.613 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000571879640 390756838 /nfs/dbraw/zinc/75/68/38/390756838.db2.gz YPQUBLWWNHVIPG-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000571879640 390756840 /nfs/dbraw/zinc/75/68/40/390756840.db2.gz YPQUBLWWNHVIPG-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]([NH3+])CNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000647020766 390758659 /nfs/dbraw/zinc/75/86/59/390758659.db2.gz LWGIUIKXJZMQOR-GFCCVEGCSA-N 2 2 277.368 0.596 20 0 CCADLP OC[C@@H]1C[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1CO ZINC000528611229 390761998 /nfs/dbraw/zinc/76/19/98/390761998.db2.gz ZRYKDJFNRBZENF-GJZGRUSLSA-N 2 2 287.363 0.905 20 0 CCADLP COC(=O)c1coc(CN2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000572841913 390806001 /nfs/dbraw/zinc/80/60/01/390806001.db2.gz IHAMTHAGSRSGJP-LLVKDONJSA-N 2 2 267.329 0.141 20 0 CCADLP COC(=O)c1coc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000572841913 390806004 /nfs/dbraw/zinc/80/60/04/390806004.db2.gz IHAMTHAGSRSGJP-LLVKDONJSA-N 2 2 267.329 0.141 20 0 CCADLP CC1(C)C[NH+](CC(=O)NCC[NH+]2CCSCC2)C1 ZINC000572176965 390771100 /nfs/dbraw/zinc/77/11/00/390771100.db2.gz MIUPDXRHVJCNDH-UHFFFAOYSA-N 2 2 271.430 0.493 20 0 CCADLP CC1([NH+]2CCOCC2)CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000528732019 390772474 /nfs/dbraw/zinc/77/24/74/390772474.db2.gz XDUHUXPQJNIKAD-CQSZACIVSA-N 2 2 295.427 0.842 20 0 CCADLP COCC[NH2+]C1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000572249476 390774660 /nfs/dbraw/zinc/77/46/60/390774660.db2.gz MMVMRBOJRVAVSE-NSHDSACASA-N 2 2 269.389 0.354 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccnn1-c1ccccn1 ZINC000647196286 390786389 /nfs/dbraw/zinc/78/63/89/390786389.db2.gz WCGKFGACWQXFOZ-OAHLLOKOSA-N 2 2 289.383 0.670 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000572585218 390790370 /nfs/dbraw/zinc/79/03/70/390790370.db2.gz URFKZCOXWYBVJY-RWMBFGLXSA-N 2 2 277.372 0.808 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCCc2ncn(C)n2)C[N@@H+]1C1CC1 ZINC000647231062 390794962 /nfs/dbraw/zinc/79/49/62/390794962.db2.gz DKNIYPKJMZSXSD-NWDGAFQWSA-N 2 2 263.389 0.963 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCCc2ncn(C)n2)C[N@H+]1C1CC1 ZINC000647231062 390794966 /nfs/dbraw/zinc/79/49/66/390794966.db2.gz DKNIYPKJMZSXSD-NWDGAFQWSA-N 2 2 263.389 0.963 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000529189828 390797755 /nfs/dbraw/zinc/79/77/55/390797755.db2.gz KYXQFNAAHAYKFR-STQMWFEESA-N 2 2 280.347 0.836 20 0 CCADLP CN(CCC[NH3+])c1cc(N(C)CCC[NH3+])[nH+]cn1 ZINC000572781682 390803005 /nfs/dbraw/zinc/80/30/05/390803005.db2.gz YKRWTAIUDJSLLR-UHFFFAOYSA-N 3 2 252.366 0.047 20 0 CCADLP C[N@@H+]1C[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCOCC3)[C@H]2C1 ZINC000646912586 390738798 /nfs/dbraw/zinc/73/87/98/390738798.db2.gz XYVZVYOHXHZWJB-OLZOCXBDSA-N 2 2 281.400 0.260 20 0 CCADLP C[N@H+]1C[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCOCC3)[C@H]2C1 ZINC000646912586 390738799 /nfs/dbraw/zinc/73/87/99/390738799.db2.gz XYVZVYOHXHZWJB-OLZOCXBDSA-N 2 2 281.400 0.260 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCOCC[NH+](C)C ZINC000571535653 390740249 /nfs/dbraw/zinc/74/02/49/390740249.db2.gz SFSNNFVXXGSPIF-LLVKDONJSA-N 2 2 268.361 0.283 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCOCC[NH+](C)C ZINC000571535653 390740251 /nfs/dbraw/zinc/74/02/51/390740251.db2.gz SFSNNFVXXGSPIF-LLVKDONJSA-N 2 2 268.361 0.283 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000577961587 390856184 /nfs/dbraw/zinc/85/61/84/390856184.db2.gz XIMFAQWOGBRHOZ-GXFFZTMASA-N 2 2 268.361 0.017 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000577961587 390856187 /nfs/dbraw/zinc/85/61/87/390856187.db2.gz XIMFAQWOGBRHOZ-GXFFZTMASA-N 2 2 268.361 0.017 20 0 CCADLP CC(C)[NH2+]C1(CO)CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000572982221 390816553 /nfs/dbraw/zinc/81/65/53/390816553.db2.gz OOWBOBNGXPRJKE-UHFFFAOYSA-N 2 2 252.362 0.735 20 0 CCADLP CC(C)[NH2+]C1(CO)CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000572982221 390816554 /nfs/dbraw/zinc/81/65/54/390816554.db2.gz OOWBOBNGXPRJKE-UHFFFAOYSA-N 2 2 252.362 0.735 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000647460546 390820974 /nfs/dbraw/zinc/82/09/74/390820974.db2.gz PVQAPRPQHHVWNI-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000647460546 390820976 /nfs/dbraw/zinc/82/09/76/390820976.db2.gz PVQAPRPQHHVWNI-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@H]1C[NH2+]C[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000647548157 390839759 /nfs/dbraw/zinc/83/97/59/390839759.db2.gz WYSHJVBQZNJJDT-CIDNJEQPSA-N 3 2 280.460 0.790 20 0 CCADLP C[C@H]1C[NH2+]C[C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C1 ZINC000647548157 390839770 /nfs/dbraw/zinc/83/97/70/390839770.db2.gz WYSHJVBQZNJJDT-CIDNJEQPSA-N 3 2 280.460 0.790 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)n1C ZINC000529667994 390849852 /nfs/dbraw/zinc/84/98/52/390849852.db2.gz CRRKIWOKTTZPHX-GASCZTMLSA-N 2 2 296.415 0.299 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2C[C@](C)(CO)[C@](C)(CO)C2)n1C ZINC000529667994 390849855 /nfs/dbraw/zinc/84/98/55/390849855.db2.gz CRRKIWOKTTZPHX-GASCZTMLSA-N 2 2 296.415 0.299 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000647617296 390851741 /nfs/dbraw/zinc/85/17/41/390851741.db2.gz NODXIIXAXUWLGN-CHWSQXEVSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H](C(=O)NCC[C@@H]1CCC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000578443553 390884365 /nfs/dbraw/zinc/88/43/65/390884365.db2.gz DRRSVAAAFUVHAC-KBPBESRZSA-N 2 2 282.432 0.128 20 0 CCADLP Cc1cc(NC(=O)NCC[N@H+]2CCOC[C@@H]2C)c(C)c[nH+]1 ZINC000534324005 390893418 /nfs/dbraw/zinc/89/34/18/390893418.db2.gz IQXRXXWKRQVZHK-ZDUSSCGKSA-N 2 2 292.383 0.963 20 0 CCADLP Cc1cc(NC(=O)NCC[N@@H+]2CCOC[C@@H]2C)c(C)c[nH+]1 ZINC000534324005 390893421 /nfs/dbraw/zinc/89/34/21/390893421.db2.gz IQXRXXWKRQVZHK-ZDUSSCGKSA-N 2 2 292.383 0.963 20 0 CCADLP C[N@@H+]1CCc2nc(NC(=O)C[C@@H]3COCC[NH2+]3)sc2C1 ZINC000578645397 390896361 /nfs/dbraw/zinc/89/63/61/390896361.db2.gz KBZYRNLICIRFJC-SECBINFHSA-N 2 2 296.396 0.448 20 0 CCADLP C[N@H+]1CCc2nc(NC(=O)C[C@@H]3COCC[NH2+]3)sc2C1 ZINC000578645397 390896362 /nfs/dbraw/zinc/89/63/62/390896362.db2.gz KBZYRNLICIRFJC-SECBINFHSA-N 2 2 296.396 0.448 20 0 CCADLP Cc1nn(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c(C)c1Cl ZINC000578767675 390901609 /nfs/dbraw/zinc/90/16/09/390901609.db2.gz REMAWKSSDPIVEN-NSHDSACASA-N 2 2 299.806 0.255 20 0 CCADLP Cc1nn(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(C)c1Cl ZINC000578767675 390901610 /nfs/dbraw/zinc/90/16/10/390901610.db2.gz REMAWKSSDPIVEN-NSHDSACASA-N 2 2 299.806 0.255 20 0 CCADLP CC[C@H](C)[C@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])OC ZINC000578864990 390905067 /nfs/dbraw/zinc/90/50/67/390905067.db2.gz JSCRFFROJACBEC-AVGNSLFASA-N 2 2 286.420 0.332 20 0 CCADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCC([NH3+])CC1 ZINC000430648156 533318202 /nfs/dbraw/zinc/31/82/02/533318202.db2.gz ZCDJLPSMORHSGN-JTQLQIEISA-N 2 2 290.367 0.536 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+]CCCO)CC1 ZINC000361458199 533381716 /nfs/dbraw/zinc/38/17/16/533381716.db2.gz FARNGAIUHTWPCA-UHFFFAOYSA-N 2 2 258.362 0.376 20 0 CCADLP COC(=O)CC1CC([NH2+]C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000424295518 533325130 /nfs/dbraw/zinc/32/51/30/533325130.db2.gz FBZXIEKKLPRINY-IYXRBSQSSA-N 2 2 284.400 0.886 20 0 CCADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[NH2+]CCO2)[C@@H]1C ZINC000423578885 533636100 /nfs/dbraw/zinc/63/61/00/533636100.db2.gz VDYYJFYGTPQASD-XQHKEYJVSA-N 2 2 270.373 0.542 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000418562412 533665119 /nfs/dbraw/zinc/66/51/19/533665119.db2.gz UCYKCDGQOQQRAN-STQMWFEESA-N 2 2 279.388 0.913 20 0 CCADLP CC(C)n1cc(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)nn1 ZINC000342104521 130262661 /nfs/dbraw/zinc/26/26/61/130262661.db2.gz ONQZSCOGOYRYLI-ZDUSSCGKSA-N 2 2 280.420 0.585 20 0 CCADLP [NH3+]C1(C[NH2+]CC(=O)NCc2ccccc2F)CCC1 ZINC000342142605 130331767 /nfs/dbraw/zinc/33/17/67/130331767.db2.gz VQNFNPBYXZXZBP-UHFFFAOYSA-N 2 2 265.332 0.913 20 0 CCADLP C[C@@H](C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)[C@H](C)[NH3+] ZINC000192108979 130374408 /nfs/dbraw/zinc/37/44/08/130374408.db2.gz NYVXXLACXHWMON-HZSPNIEDSA-N 2 2 283.416 0.683 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000192121466 130376870 /nfs/dbraw/zinc/37/68/70/130376870.db2.gz PAWMNRMMVLIOLU-NWDGAFQWSA-N 3 2 270.421 0.112 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000192121475 130377663 /nfs/dbraw/zinc/37/76/63/130377663.db2.gz PAWMNRMMVLIOLU-RYUDHWBXSA-N 3 2 270.421 0.112 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000237221170 131014683 /nfs/dbraw/zinc/01/46/83/131014683.db2.gz ZVLICIDXYLGLHH-LLVKDONJSA-N 2 2 273.340 0.739 20 0 CCADLP C[C@H]1CN(c2ccc(CNC(=O)CCC[NH3+])c[nH+]2)CCO1 ZINC000237695327 131053228 /nfs/dbraw/zinc/05/32/28/131053228.db2.gz AHZDKVQUWPYKOH-LBPRGKRZSA-N 2 2 292.383 0.662 20 0 CCADLP [NH3+]CCC(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000237848378 131060799 /nfs/dbraw/zinc/06/07/99/131060799.db2.gz DHDTYZHGGHHQBE-UHFFFAOYSA-N 2 2 263.341 0.385 20 0 CCADLP C[NH2+][C@@H](C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1cnn(C)c1 ZINC000262019831 131183879 /nfs/dbraw/zinc/18/38/79/131183879.db2.gz AGQQTHUBMZEBFO-ZIAGYGMSSA-N 2 2 291.399 0.377 20 0 CCADLP C[NH2+][C@@H](C(=O)N1CC[N@H+]2CCCC[C@@H]2C1)c1cnn(C)c1 ZINC000262019831 131183880 /nfs/dbraw/zinc/18/38/80/131183880.db2.gz AGQQTHUBMZEBFO-ZIAGYGMSSA-N 2 2 291.399 0.377 20 0 CCADLP Cc1ccn2cc(CNC(=O)[C@H]3[NH2+]CCO[C@@H]3C)[nH+]c2c1 ZINC000262337504 131213029 /nfs/dbraw/zinc/21/30/29/131213029.db2.gz STHDYENVWSPRSJ-RISCZKNCSA-N 2 2 288.351 0.636 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H](C)[NH+](C)C ZINC000684070469 545608321 /nfs/dbraw/zinc/60/83/21/545608321.db2.gz OXVJTILVMLNCGG-RYUDHWBXSA-N 2 2 257.378 0.116 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000262655624 131248091 /nfs/dbraw/zinc/24/80/91/131248091.db2.gz CJGOZGFRYZGUEG-GFCCVEGCSA-N 2 2 292.383 0.390 20 0 CCADLP Cc1cc(N[C@H](CO)C[NH+](C)C)nc(C2CC2)[nH+]1 ZINC000685262300 545804795 /nfs/dbraw/zinc/80/47/95/545804795.db2.gz YPVOLBCPTIFRSL-NSHDSACASA-N 2 2 250.346 0.997 20 0 CCADLP CN(C(=O)CCn1cc[nH+]c1)C1CC[NH+](C)CC1 ZINC000264072659 131390541 /nfs/dbraw/zinc/39/05/41/131390541.db2.gz IFFPWCRENVKGTP-UHFFFAOYSA-N 2 2 250.346 0.826 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC000266273663 131710925 /nfs/dbraw/zinc/71/09/25/131710925.db2.gz YBOBLZTUIZSJOF-QWHCGFSZSA-N 2 2 280.372 0.187 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC000266273663 131710926 /nfs/dbraw/zinc/71/09/26/131710926.db2.gz YBOBLZTUIZSJOF-QWHCGFSZSA-N 2 2 280.372 0.187 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](CO)CC2CC2)n1C ZINC000657715161 413054091 /nfs/dbraw/zinc/05/40/91/413054091.db2.gz JWBALAPVAGSHII-LBPRGKRZSA-N 2 2 266.389 0.984 20 0 CCADLP C[NH2+]CCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000269142522 132120264 /nfs/dbraw/zinc/12/02/64/132120264.db2.gz BXEJGGMUNMNXEN-UHFFFAOYSA-N 2 2 277.368 0.468 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)C[C@H]3C[NH2+]CCO3)cn2c1 ZINC000269230421 132137153 /nfs/dbraw/zinc/13/71/53/132137153.db2.gz CPFARGFNZFGNCN-ZDUSSCGKSA-N 2 2 288.351 0.637 20 0 CCADLP O=C(C[NH2+]C[C@@H]1CCCO1)NCc1cn2ccccc2[nH+]1 ZINC000269235910 132138431 /nfs/dbraw/zinc/13/84/31/132138431.db2.gz MJQFNHKYBPVAGK-ZDUSSCGKSA-N 2 2 288.351 0.719 20 0 CCADLP Cc1cn2cc(NC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)ccc2[nH+]1 ZINC000269243827 132141328 /nfs/dbraw/zinc/14/13/28/132141328.db2.gz KYJKPAMSDOHPIS-MNOVXSKESA-N 2 2 260.297 0.304 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000417514748 285619373 /nfs/dbraw/zinc/61/93/73/285619373.db2.gz BUDZHGYERAARJE-FRRDWIJNSA-N 2 2 286.420 0.393 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]C1CC(CF)(CF)C1 ZINC000657978987 413083459 /nfs/dbraw/zinc/08/34/59/413083459.db2.gz NFBODBLWXZTEAQ-UHFFFAOYSA-N 2 2 250.333 0.978 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]C1CC(CF)(CF)C1 ZINC000657978987 413083464 /nfs/dbraw/zinc/08/34/64/413083464.db2.gz NFBODBLWXZTEAQ-UHFFFAOYSA-N 2 2 250.333 0.978 20 0 CCADLP O=C([C@H]1CCC[NH2+]1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000037497885 397380800 /nfs/dbraw/zinc/38/08/00/397380800.db2.gz PYUBHPVXZSEYFX-CHWSQXEVSA-N 2 2 267.373 0.062 20 0 CCADLP [NH3+]CCOCC[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000357029676 144052202 /nfs/dbraw/zinc/05/22/02/144052202.db2.gz OKXZZCIPUNXZFM-UHFFFAOYSA-N 2 2 295.358 0.559 20 0 CCADLP Cn1cc(N2CC[C@H]([N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2=O)cn1 ZINC000357078756 144058050 /nfs/dbraw/zinc/05/80/50/144058050.db2.gz LZHCLCOMIVJGIS-BZPMIXESSA-N 2 2 289.383 0.067 20 0 CCADLP Cn1cc(N2CC[C@H]([N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2=O)cn1 ZINC000357078756 144058052 /nfs/dbraw/zinc/05/80/52/144058052.db2.gz LZHCLCOMIVJGIS-BZPMIXESSA-N 2 2 289.383 0.067 20 0 CCADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)NCc1cccnc1 ZINC000357086999 144059002 /nfs/dbraw/zinc/05/90/02/144059002.db2.gz SBTKBTASIXRNJK-UONOGXRCSA-N 2 2 274.368 0.239 20 0 CCADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)NCc1cccnc1 ZINC000357086999 144059004 /nfs/dbraw/zinc/05/90/04/144059004.db2.gz SBTKBTASIXRNJK-UONOGXRCSA-N 2 2 274.368 0.239 20 0 CCADLP CC[NH+]1CCC(N(C)C(=O)[C@H](C)[NH+]2CCOCC2)CC1 ZINC000357295113 144079712 /nfs/dbraw/zinc/07/97/12/144079712.db2.gz JKKKMIWSEYUGLX-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)N(C)C)CC1 ZINC000357844494 144126144 /nfs/dbraw/zinc/12/61/44/144126144.db2.gz FOJRPHSFQPAKAJ-NSHDSACASA-N 2 2 257.378 0.164 20 0 CCADLP [NH3+]C[C@@H](C(=O)NCCc1[nH]cc[nH+]1)c1ccc(F)cc1 ZINC000358876997 144184613 /nfs/dbraw/zinc/18/46/13/144184613.db2.gz COEGLBUPZJUXRK-GFCCVEGCSA-N 2 2 276.315 0.950 20 0 CCADLP COC(=O)c1cn([C@H]2CC[N@H+](CCn3cc[nH+]c3)C2)nn1 ZINC000368190067 144210820 /nfs/dbraw/zinc/21/08/20/144210820.db2.gz SUTLAJGZFSWRLC-NSHDSACASA-N 2 2 290.327 0.208 20 0 CCADLP COC(=O)c1cn([C@H]2CC[N@@H+](CCn3cc[nH+]c3)C2)nn1 ZINC000368190067 144210821 /nfs/dbraw/zinc/21/08/21/144210821.db2.gz SUTLAJGZFSWRLC-NSHDSACASA-N 2 2 290.327 0.208 20 0 CCADLP Cc1ncc(CNc2ccc(N3CC[NH+](C)CC3)c[nH+]2)cn1 ZINC000532681147 285810641 /nfs/dbraw/zinc/81/06/41/285810641.db2.gz WVEFALGOOHXYMK-UHFFFAOYSA-N 2 2 298.394 0.966 20 0 CCADLP C[C@@H](O)CCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369373230 144266208 /nfs/dbraw/zinc/26/62/08/144266208.db2.gz OEIAZGQAIDUTLK-CHWSQXEVSA-N 2 2 298.431 0.225 20 0 CCADLP C[C@@H](O)CCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369373230 144266209 /nfs/dbraw/zinc/26/62/09/144266209.db2.gz OEIAZGQAIDUTLK-CHWSQXEVSA-N 2 2 298.431 0.225 20 0 CCADLP Cn1c[nH+]cc1CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000370226364 144294475 /nfs/dbraw/zinc/29/44/75/144294475.db2.gz AHOWQMDVXAIQCW-KGLIPLIRSA-N 2 2 264.373 0.451 20 0 CCADLP C[C@@H]1C[N@H+](Cc2ccnn2C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370695537 144312863 /nfs/dbraw/zinc/31/28/63/144312863.db2.gz BHJXDUCVYSFCMI-GDBMZVCRSA-N 2 2 291.443 0.878 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2ccnn2C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370695537 144312865 /nfs/dbraw/zinc/31/28/65/144312865.db2.gz BHJXDUCVYSFCMI-GDBMZVCRSA-N 2 2 291.443 0.878 20 0 CCADLP Cc1cn2c([nH+]1)[C@@H](CNC(=O)C[NH+](C)C)CCC2 ZINC000372227089 144358501 /nfs/dbraw/zinc/35/85/01/144358501.db2.gz YGPLSWDZRSAFGF-LLVKDONJSA-N 2 2 250.346 0.747 20 0 CCADLP COC(=O)[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)[C@@H]1C ZINC000459437164 397556123 /nfs/dbraw/zinc/55/61/23/397556123.db2.gz QYZVSKHLDAJEPX-ZYHUDNBSSA-N 2 2 251.330 0.846 20 0 CCADLP COC(=O)[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)[C@@H]1C ZINC000459437164 397556125 /nfs/dbraw/zinc/55/61/25/397556125.db2.gz QYZVSKHLDAJEPX-ZYHUDNBSSA-N 2 2 251.330 0.846 20 0 CCADLP CC[NH+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)CC1 ZINC000585231101 397583989 /nfs/dbraw/zinc/58/39/89/397583989.db2.gz JUCMPVBYGDPPMW-UHFFFAOYSA-N 2 2 286.339 0.440 20 0 CCADLP [NH3+]CCN1CC[NH+]([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000649413612 397607650 /nfs/dbraw/zinc/60/76/50/397607650.db2.gz QOSZJDLAUDQTCC-AWEZNQCLSA-N 2 2 283.803 0.950 20 0 CCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000649414254 397608970 /nfs/dbraw/zinc/60/89/70/397608970.db2.gz OOGVVAFRJWZCRG-HUUCEWRRSA-N 2 2 294.443 0.224 20 0 CCADLP C[C@H](C(=O)N1CCCC1)N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000649414254 397608972 /nfs/dbraw/zinc/60/89/72/397608972.db2.gz OOGVVAFRJWZCRG-HUUCEWRRSA-N 2 2 294.443 0.224 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](Cc2ccccc2)CC1=O ZINC000649689294 397657190 /nfs/dbraw/zinc/65/71/90/397657190.db2.gz DFAJKZPCEFQVNB-UHFFFAOYSA-N 2 2 261.369 0.892 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](Cc2ccccc2)CC1=O ZINC000649689294 397657192 /nfs/dbraw/zinc/65/71/92/397657192.db2.gz DFAJKZPCEFQVNB-UHFFFAOYSA-N 2 2 261.369 0.892 20 0 CCADLP C1CC1[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)[C@@H]1C[NH2+]CCO1 ZINC000650743247 397751703 /nfs/dbraw/zinc/75/17/03/397751703.db2.gz PBBBDMVWLBQSBE-PEBLQZBPSA-N 2 2 252.358 0.663 20 0 CCADLP NC(=O)c1c[nH+]ccc1N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000546573901 285904380 /nfs/dbraw/zinc/90/43/80/285904380.db2.gz KJMASTFKEFBVCU-UHFFFAOYSA-N 2 2 286.339 0.226 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000547864816 285984739 /nfs/dbraw/zinc/98/47/39/285984739.db2.gz CVWGXKDJRZXMKU-LBPRGKRZSA-N 2 2 262.357 0.659 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2[C@H](C)C[C@@H]2C)C1 ZINC000548426367 286035377 /nfs/dbraw/zinc/03/53/77/286035377.db2.gz WOIOYKZYAXSGPC-ZNMIVQPWSA-N 2 2 297.443 0.942 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2[C@H](C)C[C@@H]2C)C1 ZINC000548426367 286035378 /nfs/dbraw/zinc/03/53/78/286035378.db2.gz WOIOYKZYAXSGPC-ZNMIVQPWSA-N 2 2 297.443 0.942 20 0 CCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2[C@H](C)C[C@@H]2C)C1 ZINC000548426367 286035379 /nfs/dbraw/zinc/03/53/79/286035379.db2.gz WOIOYKZYAXSGPC-ZNMIVQPWSA-N 2 2 297.443 0.942 20 0 CCADLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2[C@H](C)C[C@@H]2C)C1 ZINC000548426367 286035380 /nfs/dbraw/zinc/03/53/80/286035380.db2.gz WOIOYKZYAXSGPC-ZNMIVQPWSA-N 2 2 297.443 0.942 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000552039187 286149891 /nfs/dbraw/zinc/14/98/91/286149891.db2.gz RMCOLVYCSPQHHO-UHFFFAOYSA-N 2 2 264.373 0.905 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000552039187 286149892 /nfs/dbraw/zinc/14/98/92/286149892.db2.gz RMCOLVYCSPQHHO-UHFFFAOYSA-N 2 2 264.373 0.905 20 0 CCADLP CO[C@]1(C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CCOC1 ZINC000359419612 286174151 /nfs/dbraw/zinc/17/41/51/286174151.db2.gz KRXMBFIIDGXKJS-BNOWGMLFSA-N 2 2 254.374 0.864 20 0 CCADLP CO[C@]1(C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)CCOC1 ZINC000359419612 286174153 /nfs/dbraw/zinc/17/41/53/286174153.db2.gz KRXMBFIIDGXKJS-BNOWGMLFSA-N 2 2 254.374 0.864 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(N)[nH+]c2)C1 ZINC000659102751 413282350 /nfs/dbraw/zinc/28/23/50/413282350.db2.gz HNQTXNDFVTWFDR-NSHDSACASA-N 2 2 291.355 0.203 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(N)[nH+]c2)C1 ZINC000659102751 413282359 /nfs/dbraw/zinc/28/23/59/413282359.db2.gz HNQTXNDFVTWFDR-NSHDSACASA-N 2 2 291.355 0.203 20 0 CCADLP COCCCNC(=O)[C@H](C)[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420381725 292362372 /nfs/dbraw/zinc/36/23/72/292362372.db2.gz ZIJIITVUEYJYAQ-QNWHQSFQSA-N 2 2 271.405 0.504 20 0 CCADLP CC(C)OC[C@H]([NH3+])C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000659277819 413368445 /nfs/dbraw/zinc/36/84/45/413368445.db2.gz FSQUYDJBYMNWKQ-ZDUSSCGKSA-N 2 2 292.383 0.483 20 0 CCADLP CC(C)[NH2+]CC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000659287008 413376264 /nfs/dbraw/zinc/37/62/64/413376264.db2.gz APPOWQPRAISPOR-UHFFFAOYSA-N 2 2 260.341 0.991 20 0 CCADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)C(=O)NC[C@@H]1CCCO1 ZINC000342097574 287018182 /nfs/dbraw/zinc/01/81/82/287018182.db2.gz IEJMEEMOHBZRQW-MNOVXSKESA-N 2 2 255.362 0.141 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCCC[NH2+]1)Cn1cc[nH+]c1 ZINC000165583553 298759805 /nfs/dbraw/zinc/75/98/05/298759805.db2.gz QNLJFTAIQHPXST-VXGBXAGGSA-N 2 2 250.346 0.778 20 0 CCADLP COCC[NH2+]C1CC[NH+]([C@@H](C)CN2CCOCC2)CC1 ZINC000575129833 335070391 /nfs/dbraw/zinc/07/03/91/335070391.db2.gz AKADDUWRVVVRSK-AWEZNQCLSA-N 2 2 285.432 0.408 20 0 CCADLP O=C([C@H]1C[NH2+]CCO1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000043709902 411628301 /nfs/dbraw/zinc/62/83/01/411628301.db2.gz DRMIAGOMDURCLP-CYBMUJFWSA-N 2 2 295.408 0.381 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H](c2c[nH+]cn2C)N(C)C)C[C@@H](C)[NH+]1C ZINC000358722922 296889769 /nfs/dbraw/zinc/88/97/69/296889769.db2.gz KYSZDFYDIOZFSO-BZPMIXESSA-N 2 2 293.415 0.574 20 0 CCADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)CCO1 ZINC000045752288 411639611 /nfs/dbraw/zinc/63/96/11/411639611.db2.gz RLUNYGRWIAVHJA-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)CCO1 ZINC000045752288 411639614 /nfs/dbraw/zinc/63/96/14/411639614.db2.gz RLUNYGRWIAVHJA-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCn1cc(C[NH2+]C2CC2)nn1 ZINC000111150459 411702153 /nfs/dbraw/zinc/70/21/53/411702153.db2.gz UIHPBJWRZKUOLW-UHFFFAOYSA-N 3 2 280.420 0.414 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCn1cc(C[NH2+]C2CC2)nn1 ZINC000111150459 411702158 /nfs/dbraw/zinc/70/21/58/411702158.db2.gz UIHPBJWRZKUOLW-UHFFFAOYSA-N 3 2 280.420 0.414 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C)(OC)CC1 ZINC000311482704 411749950 /nfs/dbraw/zinc/74/99/50/411749950.db2.gz RPCLIIGRSRRZAV-CYBMUJFWSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C)(OC)CC1 ZINC000311482704 411749953 /nfs/dbraw/zinc/74/99/53/411749953.db2.gz RPCLIIGRSRRZAV-CYBMUJFWSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@](C)(CO)c1ccccc1 ZINC000314907702 411757090 /nfs/dbraw/zinc/75/70/90/411757090.db2.gz OAGIFRAFMMUJNF-JKSUJKDBSA-N 2 2 296.411 0.423 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@](C)(CO)c1ccccc1 ZINC000314907702 411757097 /nfs/dbraw/zinc/75/70/97/411757097.db2.gz OAGIFRAFMMUJNF-JKSUJKDBSA-N 2 2 296.411 0.423 20 0 CCADLP CCO[C@@H]1C[N@H+](Cc2cn3cccnc3n2)C[C@H]1C[NH3+] ZINC000405312207 411799821 /nfs/dbraw/zinc/79/98/21/411799821.db2.gz UPGMVMCDINNVQT-DGCLKSJQSA-N 2 2 275.356 0.525 20 0 CCADLP CCO[C@@H]1C[N@@H+](Cc2cn3cccnc3n2)C[C@H]1C[NH3+] ZINC000405312207 411799826 /nfs/dbraw/zinc/79/98/26/411799826.db2.gz UPGMVMCDINNVQT-DGCLKSJQSA-N 2 2 275.356 0.525 20 0 CCADLP O=C([C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCn2cc[nH+]c2C1 ZINC000407445946 411808827 /nfs/dbraw/zinc/80/88/27/411808827.db2.gz XLRLGJMFEWMXFJ-RYUDHWBXSA-N 2 2 260.341 0.756 20 0 CCADLP CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000356126746 287245295 /nfs/dbraw/zinc/24/52/95/287245295.db2.gz UQEYRRFOKPDATQ-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000356126746 287245298 /nfs/dbraw/zinc/24/52/98/287245298.db2.gz UQEYRRFOKPDATQ-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@H](O)[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000521995765 411826213 /nfs/dbraw/zinc/82/62/13/411826213.db2.gz QSFZFITZFXICCJ-AVGNSLFASA-N 2 2 271.405 0.288 20 0 CCADLP C[C@H](O)[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000521995765 411826215 /nfs/dbraw/zinc/82/62/15/411826215.db2.gz QSFZFITZFXICCJ-AVGNSLFASA-N 2 2 271.405 0.288 20 0 CCADLP C[C@@H](CCCCO)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000651379307 411857597 /nfs/dbraw/zinc/85/75/97/411857597.db2.gz LOZLWSJYJJDBRR-UONOGXRCSA-N 2 2 258.406 0.974 20 0 CCADLP C[C@@H](CCCCO)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000651379307 411857598 /nfs/dbraw/zinc/85/75/98/411857598.db2.gz LOZLWSJYJJDBRR-UONOGXRCSA-N 2 2 258.406 0.974 20 0 CCADLP CC[N@H+](CCO)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651754771 411928542 /nfs/dbraw/zinc/92/85/42/411928542.db2.gz NCOOLZGLADNENA-UHFFFAOYSA-N 2 2 294.399 0.192 20 0 CCADLP CC[N@@H+](CCO)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651754771 411928545 /nfs/dbraw/zinc/92/85/45/411928545.db2.gz NCOOLZGLADNENA-UHFFFAOYSA-N 2 2 294.399 0.192 20 0 CCADLP O[C@@H]1CC[N@@H+](C2CN(Cc3c[nH+]c4ccccn34)C2)C1 ZINC000651978418 411970442 /nfs/dbraw/zinc/97/04/42/411970442.db2.gz KMCCSWHLYXJKHZ-CQSZACIVSA-N 2 2 272.352 0.585 20 0 CCADLP O[C@@H]1CC[N@H+](C2CN(Cc3c[nH+]c4ccccn34)C2)C1 ZINC000651978418 411970444 /nfs/dbraw/zinc/97/04/44/411970444.db2.gz KMCCSWHLYXJKHZ-CQSZACIVSA-N 2 2 272.352 0.585 20 0 CCADLP CCO[C@@H]1C[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1C[NH3+] ZINC000652355861 412035243 /nfs/dbraw/zinc/03/52/43/412035243.db2.gz KDGKSQJRPABNHX-VXGBXAGGSA-N 2 2 290.429 0.107 20 0 CCADLP CCO[C@@H]1C[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1C[NH3+] ZINC000652355861 412035249 /nfs/dbraw/zinc/03/52/49/412035249.db2.gz KDGKSQJRPABNHX-VXGBXAGGSA-N 2 2 290.429 0.107 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(-c2nc[nH]n2)cc1 ZINC000653089152 412214793 /nfs/dbraw/zinc/21/47/93/412214793.db2.gz YOTVNNLMYWZKOS-GFCCVEGCSA-N 2 2 288.355 0.689 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)NCC1CC[NH2+]CC1 ZINC000653044442 412198480 /nfs/dbraw/zinc/19/84/80/412198480.db2.gz FQJZLBVVUYKWRB-UHFFFAOYSA-N 2 2 276.384 0.878 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H](C)[NH2+]1 ZINC000653050235 412200978 /nfs/dbraw/zinc/20/09/78/412200978.db2.gz KDUGDTKOKFGIAD-VXGBXAGGSA-N 2 2 276.384 0.971 20 0 CCADLP COc1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c(OC)c1 ZINC000653057084 412203340 /nfs/dbraw/zinc/20/33/40/412203340.db2.gz NRWDVHFSYBRNQF-NSHDSACASA-N 2 2 281.356 0.921 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1nc2c(s1)CCC2 ZINC000653061338 412206409 /nfs/dbraw/zinc/20/64/09/412206409.db2.gz MERPTHXMMVEOCD-QMMMGPOBSA-N 2 2 268.386 0.849 20 0 CCADLP CN(CCOc1ccccc1F)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653062362 412206492 /nfs/dbraw/zinc/20/64/92/412206492.db2.gz YHCSWBUYVCYUIL-ZDUSSCGKSA-N 2 2 297.374 0.942 20 0 CCADLP CCN(CC)C(=O)CCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653071276 412208300 /nfs/dbraw/zinc/20/83/00/412208300.db2.gz ATLXBWYDECXNLU-LBPRGKRZSA-N 2 2 286.420 0.030 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCOc2ccccc21 ZINC000653072136 412208406 /nfs/dbraw/zinc/20/84/06/412208406.db2.gz FRAXMJYCEGUHKA-NSHDSACASA-N 2 2 263.341 0.691 20 0 CCADLP COc1ccc(N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)cc1OC ZINC000653079669 412211790 /nfs/dbraw/zinc/21/17/90/412211790.db2.gz JBLLQUNOKLAUSV-GFCCVEGCSA-N 2 2 295.383 0.946 20 0 CCADLP COc1ccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)c(C)c1 ZINC000653091187 412214108 /nfs/dbraw/zinc/21/41/08/412214108.db2.gz MYCDHXFCCFWURS-AWEZNQCLSA-N 2 2 279.384 0.899 20 0 CCADLP CCO[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)C[C@H]1C[NH3+] ZINC000653249373 412268997 /nfs/dbraw/zinc/26/89/97/412268997.db2.gz ZBEYIFWWSZGGHO-JHJVBQTASA-N 2 2 280.372 0.656 20 0 CCADLP COCc1ccnc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000653275521 412276784 /nfs/dbraw/zinc/27/67/84/412276784.db2.gz HJDIQAQPVNEJDL-LLVKDONJSA-N 2 2 266.345 0.446 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C[C@@H](C(F)(F)F)O1 ZINC000653097348 412217665 /nfs/dbraw/zinc/21/76/65/412217665.db2.gz KJOYZZCBUCXMIO-UTLUCORTSA-N 2 2 297.321 0.444 20 0 CCADLP Cc1nn(C)c2ncc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc12 ZINC000653107759 412221629 /nfs/dbraw/zinc/22/16/29/412221629.db2.gz WZYUHWNNNFPZPQ-GFCCVEGCSA-N 2 2 290.371 0.494 20 0 CCADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653110086 412221975 /nfs/dbraw/zinc/22/19/75/412221975.db2.gz WYNZRFPPOZSQKH-ZNMIVQPWSA-N 3 2 298.475 0.750 20 0 CCADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653110086 412221979 /nfs/dbraw/zinc/22/19/79/412221979.db2.gz WYNZRFPPOZSQKH-ZNMIVQPWSA-N 3 2 298.475 0.750 20 0 CCADLP CN(CCCNC(=O)[C@H]([NH3+])CC[NH+](C)C)CC(F)(F)F ZINC000653110261 412222211 /nfs/dbraw/zinc/22/22/11/412222211.db2.gz AJAWBVMXRQJHDM-SNVBAGLBSA-N 2 2 298.353 0.266 20 0 CCADLP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653108268 412222305 /nfs/dbraw/zinc/22/23/05/412222305.db2.gz PQSRANQMMOHAFL-CQSZACIVSA-N 3 2 284.448 0.597 20 0 CCADLP C[NH+](C)CC[C@@H](N)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000653112760 412223708 /nfs/dbraw/zinc/22/37/08/412223708.db2.gz JEHSGVIKHPVYGK-OAHLLOKOSA-N 2 2 290.411 0.397 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000653112760 412223712 /nfs/dbraw/zinc/22/37/12/412223712.db2.gz JEHSGVIKHPVYGK-OAHLLOKOSA-N 3 2 290.411 0.397 20 0 CCADLP C[C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C[NH+]1CCCCC1 ZINC000653111931 412224104 /nfs/dbraw/zinc/22/41/04/412224104.db2.gz GZOMOJPWICACRD-KGLIPLIRSA-N 3 2 284.448 0.504 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653114072 412225524 /nfs/dbraw/zinc/22/55/24/412225524.db2.gz XCWYQIOUQZSAKZ-ZIAGYGMSSA-N 3 2 284.448 0.502 20 0 CCADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653114072 412225527 /nfs/dbraw/zinc/22/55/27/412225527.db2.gz XCWYQIOUQZSAKZ-ZIAGYGMSSA-N 3 2 284.448 0.502 20 0 CCADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653120022 412229628 /nfs/dbraw/zinc/22/96/28/412229628.db2.gz CQWOPMKOGQTJMY-KGLIPLIRSA-N 3 2 284.448 0.646 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653131264 412236224 /nfs/dbraw/zinc/23/62/24/412236224.db2.gz CZPXGIMVIPUDSK-WCQYABFASA-N 2 2 276.384 0.876 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCc2ccc(F)cc2C1 ZINC000653150033 412241848 /nfs/dbraw/zinc/24/18/48/412241848.db2.gz PNMXDAOSNVOSKJ-CQSZACIVSA-N 2 2 279.359 0.989 20 0 CCADLP COc1cnccc1[C@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653151516 412242875 /nfs/dbraw/zinc/24/28/75/412242875.db2.gz JHJFCHKIHSAYGE-JQWIXIFHSA-N 2 2 280.372 0.546 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1n[nH]c2c1cccc2Cl ZINC000653150827 412243425 /nfs/dbraw/zinc/24/34/25/412243425.db2.gz QIFVXEVFZOPRTF-SNVBAGLBSA-N 2 2 295.774 0.856 20 0 CCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653151615 412243873 /nfs/dbraw/zinc/24/38/73/412243873.db2.gz LPQLTVRPPVIBAP-STQMWFEESA-N 3 2 270.421 0.064 20 0 CCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653151615 412243876 /nfs/dbraw/zinc/24/38/76/412243876.db2.gz LPQLTVRPPVIBAP-STQMWFEESA-N 3 2 270.421 0.064 20 0 CCADLP CC(C)C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)CCO1 ZINC000653154226 412245043 /nfs/dbraw/zinc/24/50/43/412245043.db2.gz LYQICQUAWOAQFC-BFHYXJOUSA-N 2 2 285.432 0.975 20 0 CCADLP C[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@@H](O)Cc1ccccc1 ZINC000653157531 412246686 /nfs/dbraw/zinc/24/66/86/412246686.db2.gz DUIHVMHFAXQVNN-QEJZJMRPSA-N 2 2 293.411 0.374 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000653164723 412249251 /nfs/dbraw/zinc/24/92/51/412249251.db2.gz DNZRJBWJONJZFG-ZIAGYGMSSA-N 3 2 296.459 0.502 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cc(F)ccc1O ZINC000653168139 412250586 /nfs/dbraw/zinc/25/05/86/412250586.db2.gz QKSZULLUMUITCG-SECBINFHSA-N 2 2 255.293 0.749 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](CCO)CCc1ccccc1 ZINC000653556069 412317291 /nfs/dbraw/zinc/31/72/91/412317291.db2.gz MMWZPKRXJLEEFE-INIZCTEOSA-N 2 2 280.412 0.836 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](CCO)CCc1ccccc1 ZINC000653556069 412317296 /nfs/dbraw/zinc/31/72/96/412317296.db2.gz MMWZPKRXJLEEFE-INIZCTEOSA-N 2 2 280.412 0.836 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](CCO)CCc1ccccc1 ZINC000653556069 412317299 /nfs/dbraw/zinc/31/72/99/412317299.db2.gz MMWZPKRXJLEEFE-INIZCTEOSA-N 2 2 280.412 0.836 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](CCO)CCc1ccccc1 ZINC000653556069 412317303 /nfs/dbraw/zinc/31/73/03/412317303.db2.gz MMWZPKRXJLEEFE-INIZCTEOSA-N 2 2 280.412 0.836 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccc(OC)nc1 ZINC000653587626 412321342 /nfs/dbraw/zinc/32/13/42/412321342.db2.gz LEXBMXAQVRODRU-AWEZNQCLSA-N 2 2 297.399 0.461 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccc(OC)nc1 ZINC000653587626 412321343 /nfs/dbraw/zinc/32/13/43/412321343.db2.gz LEXBMXAQVRODRU-AWEZNQCLSA-N 2 2 297.399 0.461 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccc(OC)nc1 ZINC000653587626 412321348 /nfs/dbraw/zinc/32/13/48/412321348.db2.gz LEXBMXAQVRODRU-AWEZNQCLSA-N 2 2 297.399 0.461 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(F)F)C1 ZINC000653593580 412322408 /nfs/dbraw/zinc/32/24/08/412322408.db2.gz GKKLLNHQHYXPSQ-QWRGUYRKSA-N 2 2 266.332 0.513 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(F)F)C1 ZINC000653593580 412322410 /nfs/dbraw/zinc/32/24/10/412322410.db2.gz GKKLLNHQHYXPSQ-QWRGUYRKSA-N 2 2 266.332 0.513 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000653593580 412322414 /nfs/dbraw/zinc/32/24/14/412322414.db2.gz GKKLLNHQHYXPSQ-QWRGUYRKSA-N 2 2 266.332 0.513 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C(F)F)C1 ZINC000653593580 412322416 /nfs/dbraw/zinc/32/24/16/412322416.db2.gz GKKLLNHQHYXPSQ-QWRGUYRKSA-N 2 2 266.332 0.513 20 0 CCADLP c1c[nH+]c(N2CC[NH+](Cc3cc4n(n3)CCC4)CC2)[nH]1 ZINC000653644202 412329322 /nfs/dbraw/zinc/32/93/22/412329322.db2.gz UMOPWAXUTDTRFL-UHFFFAOYSA-N 2 2 272.356 0.875 20 0 CCADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC000653690419 412336022 /nfs/dbraw/zinc/33/60/22/412336022.db2.gz VZHUTGSSZSPUIQ-OLZOCXBDSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC000653690419 412336024 /nfs/dbraw/zinc/33/60/24/412336024.db2.gz VZHUTGSSZSPUIQ-OLZOCXBDSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@H](C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1)[NH+]1CC(C)C1 ZINC000655038072 412466180 /nfs/dbraw/zinc/46/61/80/412466180.db2.gz KLGMLESMBQEZGR-UONOGXRCSA-N 2 2 283.416 0.506 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000659425661 413490050 /nfs/dbraw/zinc/49/00/50/413490050.db2.gz OQXFJYITLIWVBX-LLVKDONJSA-N 2 2 272.393 0.004 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000659438170 413497012 /nfs/dbraw/zinc/49/70/12/413497012.db2.gz PSXGRDZDUHQRPL-LLVKDONJSA-N 2 2 279.388 0.669 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000659450050 413511156 /nfs/dbraw/zinc/51/11/56/413511156.db2.gz VSLOZOAGLPSNSU-MRVPVSSYSA-N 2 2 293.293 0.853 20 0 CCADLP CC[NH2+]CCCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659504804 413559176 /nfs/dbraw/zinc/55/91/76/413559176.db2.gz ABLUNKVUGDRJPJ-ZDUSSCGKSA-N 2 2 284.404 0.102 20 0 CCADLP C[C@H](NC(=O)NCC1CC[NH2+]CC1)c1[nH+]ccn1C ZINC000659508091 413566803 /nfs/dbraw/zinc/56/68/03/413566803.db2.gz RTURHVDUHXWMHB-JTQLQIEISA-N 2 2 265.361 0.780 20 0 CCADLP CCC([NH3+])(CC)CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659523255 413594094 /nfs/dbraw/zinc/59/40/94/413594094.db2.gz SCUCFMRPBYXRAR-CYBMUJFWSA-N 2 2 298.431 0.620 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000659535588 413617641 /nfs/dbraw/zinc/61/76/41/413617641.db2.gz ALIYYEVBHKTRPJ-NXEZZACHSA-N 2 2 253.350 0.778 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000659637957 413740265 /nfs/dbraw/zinc/74/02/65/413740265.db2.gz QOCRSQVRBMBKFT-QWRGUYRKSA-N 2 2 265.361 0.527 20 0 CCADLP CO[C@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C1CCCC1 ZINC000659611816 413699996 /nfs/dbraw/zinc/69/99/96/413699996.db2.gz OKSFFNPRVJLUNT-ZIAGYGMSSA-N 2 2 298.431 0.476 20 0 CCADLP CO[C@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C1CCCC1 ZINC000659611816 413700006 /nfs/dbraw/zinc/70/00/06/413700006.db2.gz OKSFFNPRVJLUNT-ZIAGYGMSSA-N 2 2 298.431 0.476 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCCc2ccco2)[C@@H](C[NH3+])C1 ZINC000659623682 413720490 /nfs/dbraw/zinc/72/04/90/413720490.db2.gz FEFQUSLLIVVKHX-LBPRGKRZSA-N 2 2 280.372 0.497 20 0 CCADLP C[C@H](NC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)c1[nH+]ccn1C ZINC000659628010 413726552 /nfs/dbraw/zinc/72/65/52/413726552.db2.gz JTSWLUNIZSCFBB-DCAQKATOSA-N 2 2 265.361 0.860 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000659638234 413738926 /nfs/dbraw/zinc/73/89/26/413738926.db2.gz IXQCDQNBDWTBCX-ZDUSSCGKSA-N 2 2 291.399 0.517 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC000659837091 413903119 /nfs/dbraw/zinc/90/31/19/413903119.db2.gz DAZIWLPBCKUFNX-NSHDSACASA-N 2 2 291.342 0.116 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000659917549 413968502 /nfs/dbraw/zinc/96/85/02/413968502.db2.gz AWNQMUFYYMEITF-HUUCEWRRSA-N 2 2 297.443 0.774 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000659917549 413968512 /nfs/dbraw/zinc/96/85/12/413968512.db2.gz AWNQMUFYYMEITF-HUUCEWRRSA-N 2 2 297.443 0.774 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000659917549 413968525 /nfs/dbraw/zinc/96/85/25/413968525.db2.gz AWNQMUFYYMEITF-HUUCEWRRSA-N 2 2 297.443 0.774 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000659917549 413968539 /nfs/dbraw/zinc/96/85/39/413968539.db2.gz AWNQMUFYYMEITF-HUUCEWRRSA-N 2 2 297.443 0.774 20 0 CCADLP CC[NH+]1CCC(NC(=O)CN(C)Cc2[nH]cc[nH+]2)CC1 ZINC000660145237 414148709 /nfs/dbraw/zinc/14/87/09/414148709.db2.gz OMXMEHVTELTZAK-UHFFFAOYSA-N 2 2 279.388 0.442 20 0 CCADLP CN1CC(=O)N(CC[NH+]2CCC3(CCC[N@@H+]3C)CC2)C1=O ZINC000660166791 414176239 /nfs/dbraw/zinc/17/62/39/414176239.db2.gz GAVHLBRCFOOQJK-UHFFFAOYSA-N 2 2 294.399 0.441 20 0 CCADLP CN1CC(=O)N(CC[NH+]2CCC3(CCC[N@H+]3C)CC2)C1=O ZINC000660166791 414176245 /nfs/dbraw/zinc/17/62/45/414176245.db2.gz GAVHLBRCFOOQJK-UHFFFAOYSA-N 2 2 294.399 0.441 20 0 CCADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cn(C)c[nH+]1 ZINC000660367833 414262622 /nfs/dbraw/zinc/26/26/22/414262622.db2.gz RSPOBHXAAZFJHE-LBPRGKRZSA-N 2 2 266.389 0.697 20 0 CCADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1cn(C)c[nH+]1 ZINC000660367833 414262629 /nfs/dbraw/zinc/26/26/29/414262629.db2.gz RSPOBHXAAZFJHE-LBPRGKRZSA-N 2 2 266.389 0.697 20 0 CCADLP O=C1NCCC[C@@H]1[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660477673 414347302 /nfs/dbraw/zinc/34/73/02/414347302.db2.gz HYZBSSDCOOCDSO-KGLIPLIRSA-N 2 2 281.400 0.452 20 0 CCADLP O=C1NCCC[C@@H]1[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660477673 414347311 /nfs/dbraw/zinc/34/73/11/414347311.db2.gz HYZBSSDCOOCDSO-KGLIPLIRSA-N 2 2 281.400 0.452 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(N2CN=NC2=O)CC1 ZINC000660451755 414329307 /nfs/dbraw/zinc/32/93/07/414329307.db2.gz GDYVLIBBZLSKNK-ZDUSSCGKSA-N 2 2 297.403 0.322 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(N2CN=NC2=O)CC1 ZINC000660451755 414329314 /nfs/dbraw/zinc/32/93/14/414329314.db2.gz GDYVLIBBZLSKNK-ZDUSSCGKSA-N 2 2 297.403 0.322 20 0 CCADLP C[NH+]1CCC(NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000660822341 414490930 /nfs/dbraw/zinc/49/09/30/414490930.db2.gz QQSSUHULLLMZAG-AWEZNQCLSA-N 2 2 296.415 0.197 20 0 CCADLP C[C@@H](CNC(=O)N(C)Cc1c[nH+]c[nH]1)C[NH+]1CCOCC1 ZINC000660848570 414506337 /nfs/dbraw/zinc/50/63/37/414506337.db2.gz IGQLFZSZRIFCSY-LBPRGKRZSA-N 2 2 295.387 0.519 20 0 CCADLP C[C@@H](CNC(=O)N(C)Cc1c[nH]c[nH+]1)C[NH+]1CCOCC1 ZINC000660848570 414506342 /nfs/dbraw/zinc/50/63/42/414506342.db2.gz IGQLFZSZRIFCSY-LBPRGKRZSA-N 2 2 295.387 0.519 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000661490457 414634236 /nfs/dbraw/zinc/63/42/36/414634236.db2.gz HQPASVRSMKGVQI-SOUVJXGZSA-N 2 2 286.416 0.284 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000661490457 414634241 /nfs/dbraw/zinc/63/42/41/414634241.db2.gz HQPASVRSMKGVQI-SOUVJXGZSA-N 2 2 286.416 0.284 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000661490457 414634246 /nfs/dbraw/zinc/63/42/46/414634246.db2.gz HQPASVRSMKGVQI-SOUVJXGZSA-N 2 2 286.416 0.284 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000661490457 414634251 /nfs/dbraw/zinc/63/42/51/414634251.db2.gz HQPASVRSMKGVQI-SOUVJXGZSA-N 2 2 286.416 0.284 20 0 CCADLP Oc1cccc(C[NH+]2CCN(C[C@@H]3C[NH2+]CCO3)CC2)c1 ZINC000662260503 414701252 /nfs/dbraw/zinc/70/12/52/414701252.db2.gz NSVRDOUSGNZFRY-INIZCTEOSA-N 2 2 291.395 0.498 20 0 CCADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662264931 414702401 /nfs/dbraw/zinc/70/24/01/414702401.db2.gz SAPFFAQGAJBVEI-LSDHHAIUSA-N 3 2 285.432 0.408 20 0 CCADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662264931 414702402 /nfs/dbraw/zinc/70/24/02/414702402.db2.gz SAPFFAQGAJBVEI-LSDHHAIUSA-N 3 2 285.432 0.408 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000662267552 414703141 /nfs/dbraw/zinc/70/31/41/414703141.db2.gz WRJDLQWULPOILJ-CQSZACIVSA-N 3 2 261.369 0.492 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000662267552 414703142 /nfs/dbraw/zinc/70/31/42/414703142.db2.gz WRJDLQWULPOILJ-CQSZACIVSA-N 3 2 261.369 0.492 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747027 174392424 /nfs/dbraw/zinc/39/24/24/174392424.db2.gz ZIUIRTLDDBDOAH-FUNVUKJBSA-N 2 2 296.415 0.683 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747027 174392425 /nfs/dbraw/zinc/39/24/25/174392425.db2.gz ZIUIRTLDDBDOAH-FUNVUKJBSA-N 2 2 296.415 0.683 20 0 CCADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1coc(S(N)(=O)=O)c1 ZINC000662276219 414704606 /nfs/dbraw/zinc/70/46/06/414704606.db2.gz HKMBHGOLTIBUEA-SECBINFHSA-N 2 2 275.374 0.390 20 0 CCADLP Fc1cccc(C[NH+]2CCN(C[C@H]3C[NH2+]CCO3)CC2)c1 ZINC000662278212 414704640 /nfs/dbraw/zinc/70/46/40/414704640.db2.gz YMNTYBPDWDDNST-MRXNPFEDSA-N 2 2 293.386 0.932 20 0 CCADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1coc(S(N)(=O)=O)c1 ZINC000662278654 414704959 /nfs/dbraw/zinc/70/49/59/414704959.db2.gz ZZINCWPAGVTXFF-SNVBAGLBSA-N 2 2 287.385 0.405 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000662279473 414704991 /nfs/dbraw/zinc/70/49/91/414704991.db2.gz KAOMVVOGKIBGAD-BMFZPTHFSA-N 3 2 279.428 0.924 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000662279473 414704992 /nfs/dbraw/zinc/70/49/92/414704992.db2.gz KAOMVVOGKIBGAD-BMFZPTHFSA-N 3 2 279.428 0.924 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000662279473 414704993 /nfs/dbraw/zinc/70/49/93/414704993.db2.gz KAOMVVOGKIBGAD-BMFZPTHFSA-N 3 2 279.428 0.924 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000662279473 414704994 /nfs/dbraw/zinc/70/49/94/414704994.db2.gz KAOMVVOGKIBGAD-BMFZPTHFSA-N 3 2 279.428 0.924 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000662279476 414705436 /nfs/dbraw/zinc/70/54/36/414705436.db2.gz KAOMVVOGKIBGAD-VNQPRFMTSA-N 3 2 279.428 0.924 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000662279476 414705437 /nfs/dbraw/zinc/70/54/37/414705437.db2.gz KAOMVVOGKIBGAD-VNQPRFMTSA-N 3 2 279.428 0.924 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000662279476 414705438 /nfs/dbraw/zinc/70/54/38/414705438.db2.gz KAOMVVOGKIBGAD-VNQPRFMTSA-N 3 2 279.428 0.924 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000662279476 414705439 /nfs/dbraw/zinc/70/54/39/414705439.db2.gz KAOMVVOGKIBGAD-VNQPRFMTSA-N 3 2 279.428 0.924 20 0 CCADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2nc(N(C)C)no2)C[C@@H]1C[NH3+] ZINC000662282198 414705523 /nfs/dbraw/zinc/70/55/23/414705523.db2.gz DIQINIOFFSDFSC-MXWKQRLJSA-N 2 2 267.377 0.941 20 0 CCADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc(N(C)C)no2)C[C@@H]1C[NH3+] ZINC000662282198 414705524 /nfs/dbraw/zinc/70/55/24/414705524.db2.gz DIQINIOFFSDFSC-MXWKQRLJSA-N 2 2 267.377 0.941 20 0 CCADLP CC(C)(C)n1nnc(CC[NH+]2CCC3(CC[NH2+]3)CC2)n1 ZINC000662282695 414705745 /nfs/dbraw/zinc/70/57/45/414705745.db2.gz JNPOIYJYFIGPKJ-UHFFFAOYSA-N 2 2 278.404 0.799 20 0 CCADLP [NH3+]Cc1nc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)no1 ZINC000662291782 414707462 /nfs/dbraw/zinc/70/74/62/414707462.db2.gz KGWMWMVDGJJRKI-LBPRGKRZSA-N 3 2 279.388 0.740 20 0 CCADLP Cn1nnc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000662293915 414707583 /nfs/dbraw/zinc/70/75/83/414707583.db2.gz VECPUYBZESFCSS-GFCCVEGCSA-N 2 2 264.377 0.422 20 0 CCADLP CC(C)NC(=O)[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662316621 414708989 /nfs/dbraw/zinc/70/89/89/414708989.db2.gz KMSHXHYLYIYSMN-STQMWFEESA-N 2 2 269.389 0.211 20 0 CCADLP CC(C)NC(=O)[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662316621 414708990 /nfs/dbraw/zinc/70/89/90/414708990.db2.gz KMSHXHYLYIYSMN-STQMWFEESA-N 2 2 269.389 0.211 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321180 414709279 /nfs/dbraw/zinc/70/92/79/414709279.db2.gz YTAWLOUISYXUHH-TZMCWYRMSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321180 414709280 /nfs/dbraw/zinc/70/92/80/414709280.db2.gz YTAWLOUISYXUHH-TZMCWYRMSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)C[C@@H](CC(F)(F)F)O1 ZINC000662326119 414710447 /nfs/dbraw/zinc/71/04/47/414710447.db2.gz OFUVUPWUYYKVDN-VXGBXAGGSA-N 2 2 295.349 0.933 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)C[C@@H](CC(F)(F)F)O1 ZINC000662326119 414710448 /nfs/dbraw/zinc/71/04/48/414710448.db2.gz OFUVUPWUYYKVDN-VXGBXAGGSA-N 2 2 295.349 0.933 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCC(=O)N(C)CC1 ZINC000661804863 414675901 /nfs/dbraw/zinc/67/59/01/414675901.db2.gz PWBSWVVCXNQNPJ-UHFFFAOYSA-N 2 2 250.346 0.517 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC(=O)N(C)CC1 ZINC000661804863 414675903 /nfs/dbraw/zinc/67/59/03/414675903.db2.gz PWBSWVVCXNQNPJ-UHFFFAOYSA-N 2 2 250.346 0.517 20 0 CCADLP O[C@@H]1CC[N@@H+](C2CC[NH+](CCn3ccnc3)CC2)C1 ZINC000662152290 414693588 /nfs/dbraw/zinc/69/35/88/414693588.db2.gz CLCRQUUCVAFHRR-CQSZACIVSA-N 2 2 264.373 0.414 20 0 CCADLP O[C@@H]1CC[N@H+](C2CC[NH+](CCn3ccnc3)CC2)C1 ZINC000662152290 414693589 /nfs/dbraw/zinc/69/35/89/414693589.db2.gz CLCRQUUCVAFHRR-CQSZACIVSA-N 2 2 264.373 0.414 20 0 CCADLP CN(C)c1noc(C[NH+]2CCC(OCCC[NH3+])CC2)n1 ZINC000662247778 414699200 /nfs/dbraw/zinc/69/92/00/414699200.db2.gz KRHDLPUDWHWUHL-UHFFFAOYSA-N 2 2 283.376 0.465 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254367 414699715 /nfs/dbraw/zinc/69/97/15/414699715.db2.gz HOVUFSQLFHLLDN-VXGBXAGGSA-N 2 2 290.429 0.262 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254367 414699716 /nfs/dbraw/zinc/69/97/16/414699716.db2.gz HOVUFSQLFHLLDN-VXGBXAGGSA-N 2 2 290.429 0.262 20 0 CCADLP O=C1C[C@H](c2ccccc2)[N@H+](C[C@@H]2C[NH2+]CCO2)CCN1 ZINC000662252517 414700208 /nfs/dbraw/zinc/70/02/08/414700208.db2.gz PBLRJIJYOFJTEG-LSDHHAIUSA-N 2 2 289.379 0.538 20 0 CCADLP O=C1C[C@H](c2ccccc2)[N@@H+](C[C@@H]2C[NH2+]CCO2)CCN1 ZINC000662252517 414700209 /nfs/dbraw/zinc/70/02/09/414700209.db2.gz PBLRJIJYOFJTEG-LSDHHAIUSA-N 2 2 289.379 0.538 20 0 CCADLP CCO[C@@H]1C[C@@H](O)C12CC[NH+](C[C@@H]1C[NH2+]CCO1)CC2 ZINC000662255288 414700291 /nfs/dbraw/zinc/70/02/91/414700291.db2.gz CUJNKRFOSPAASW-BFHYXJOUSA-N 2 2 284.400 0.227 20 0 CCADLP C[C@H](O)C[N@H+](C[C@@H]1C[NH2+]CCO1)C1CCCCC1 ZINC000662256092 414700812 /nfs/dbraw/zinc/70/08/12/414700812.db2.gz FWQNOMGGUXGMRR-JSGCOSHPSA-N 2 2 256.390 0.990 20 0 CCADLP C[C@H](O)C[N@@H+](C[C@@H]1C[NH2+]CCO1)C1CCCCC1 ZINC000662256092 414700813 /nfs/dbraw/zinc/70/08/13/414700813.db2.gz FWQNOMGGUXGMRR-JSGCOSHPSA-N 2 2 256.390 0.990 20 0 CCADLP Cc1[nH+]c2cc(NC(=O)C3(O)C[NH2+]C3)ccc2n1C ZINC000662745828 414753973 /nfs/dbraw/zinc/75/39/73/414753973.db2.gz HCEIPLIMUVIFTR-UHFFFAOYSA-N 2 2 260.297 0.155 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662751656 414761814 /nfs/dbraw/zinc/76/18/14/414761814.db2.gz BBPUXDUFRVQDGB-UHFFFAOYSA-N 2 2 263.301 0.830 20 0 CCADLP CC(C)[NH2+]CC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000662447421 414719068 /nfs/dbraw/zinc/71/90/68/414719068.db2.gz VPCFQTPOTCXVTJ-VXGBXAGGSA-N 2 2 257.378 0.210 20 0 CCADLP O=C(Nc1cc[nH+]cc1O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662451426 414719689 /nfs/dbraw/zinc/71/96/89/414719689.db2.gz AJVRVDBKGYKHLO-UHFFFAOYSA-N 2 2 288.307 0.916 20 0 CCADLP Cc1cc(NC(=O)c2cn[nH]c2[C@H]2CC[NH2+]C2)cc[nH+]1 ZINC000662523903 414725203 /nfs/dbraw/zinc/72/52/03/414725203.db2.gz GLJMRIHVBILIOJ-JTQLQIEISA-N 2 2 271.324 0.864 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000662584631 414730524 /nfs/dbraw/zinc/73/05/24/414730524.db2.gz DIIDLKSFPLMISC-CYBMUJFWSA-N 2 2 258.325 0.938 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000662584631 414730525 /nfs/dbraw/zinc/73/05/25/414730525.db2.gz DIIDLKSFPLMISC-CYBMUJFWSA-N 2 2 258.325 0.938 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000662629158 414734671 /nfs/dbraw/zinc/73/46/71/414734671.db2.gz CLGQHDTZBNGHQS-SRVKXCTJSA-N 2 2 257.378 0.195 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000662629158 414734672 /nfs/dbraw/zinc/73/46/72/414734672.db2.gz CLGQHDTZBNGHQS-SRVKXCTJSA-N 2 2 257.378 0.195 20 0 CCADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000662632687 414735217 /nfs/dbraw/zinc/73/52/17/414735217.db2.gz SUDTUWTVGZFTDQ-ZIAGYGMSSA-N 3 2 284.448 0.374 20 0 CCADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000662632687 414735218 /nfs/dbraw/zinc/73/52/18/414735218.db2.gz SUDTUWTVGZFTDQ-ZIAGYGMSSA-N 3 2 284.448 0.374 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)[C@H](C)[NH3+] ZINC000662632985 414735327 /nfs/dbraw/zinc/73/53/27/414735327.db2.gz WTEHKRFPXPCKRX-UONOGXRCSA-N 3 2 286.464 0.606 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)[C@H](C)[NH3+] ZINC000662632985 414735328 /nfs/dbraw/zinc/73/53/28/414735328.db2.gz WTEHKRFPXPCKRX-UONOGXRCSA-N 3 2 286.464 0.606 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000662634083 414735857 /nfs/dbraw/zinc/73/58/57/414735857.db2.gz QFEKGOIVLRJKGD-RFGFWPKPSA-N 2 2 283.416 0.600 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000662634083 414735858 /nfs/dbraw/zinc/73/58/58/414735858.db2.gz QFEKGOIVLRJKGD-RFGFWPKPSA-N 2 2 283.416 0.600 20 0 CCADLP C[C@@H]1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C[C@H](C)O1 ZINC000662696936 414742918 /nfs/dbraw/zinc/74/29/18/414742918.db2.gz ZGUPINFYIKVHIE-GRYCIOLGSA-N 2 2 257.378 0.291 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)C2([NH3+])CC3(CCC3)C2)CCO1 ZINC000662701515 414743128 /nfs/dbraw/zinc/74/31/28/414743128.db2.gz QIWFDQVZDBWXLT-LBPRGKRZSA-N 2 2 281.400 0.485 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)C2([NH3+])CC3(CCC3)C2)CCO1 ZINC000662701515 414743129 /nfs/dbraw/zinc/74/31/29/414743129.db2.gz QIWFDQVZDBWXLT-LBPRGKRZSA-N 2 2 281.400 0.485 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)C2([NH2+]C3CC3)CCC2)CCO1 ZINC000662701743 414743241 /nfs/dbraw/zinc/74/32/41/414743241.db2.gz RIQYNOVFAHKWSF-UHFFFAOYSA-N 2 2 295.427 0.888 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)C2([NH2+]C3CC3)CCC2)CCO1 ZINC000662701743 414743242 /nfs/dbraw/zinc/74/32/42/414743242.db2.gz RIQYNOVFAHKWSF-UHFFFAOYSA-N 2 2 295.427 0.888 20 0 CCADLP COc1cc[nH+]cc1NC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662701306 414743322 /nfs/dbraw/zinc/74/33/22/414743322.db2.gz OEGHEYMUHFFFKR-KWQFWETISA-N 2 2 251.286 0.393 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)[C@H]3CCO[C@@H]3C[NH3+])cn21 ZINC000662727877 414746866 /nfs/dbraw/zinc/74/68/66/414746866.db2.gz YOWDHYKRMGLVRQ-QWHCGFSZSA-N 2 2 288.351 0.623 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000662839373 414834698 /nfs/dbraw/zinc/83/46/98/414834698.db2.gz QNTIWBYSJFGZMH-VIFPVBQESA-N 2 2 258.272 0.613 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000662839373 414834705 /nfs/dbraw/zinc/83/47/05/414834705.db2.gz QNTIWBYSJFGZMH-VIFPVBQESA-N 2 2 258.272 0.613 20 0 CCADLP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000662844865 414835560 /nfs/dbraw/zinc/83/55/60/414835560.db2.gz GPNYLHHWNFTYMY-SNVBAGLBSA-N 2 2 250.346 0.641 20 0 CCADLP [NH3+][C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC[C@H]1F ZINC000662944946 414908069 /nfs/dbraw/zinc/90/80/69/414908069.db2.gz CNLNGDKMYNWPAL-VXGBXAGGSA-N 2 2 280.347 0.660 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H]1C[NH2+]CCO1 ZINC000662900037 414879739 /nfs/dbraw/zinc/87/97/39/414879739.db2.gz KXOBZHWBXUYCTG-VHSXEESVSA-N 2 2 252.318 0.069 20 0 CCADLP CN(C(=O)C(C)(C)C[NH3+])[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662900526 414880069 /nfs/dbraw/zinc/88/00/69/414880069.db2.gz MTVGANZUXJAHFU-CQSZACIVSA-N 3 2 296.459 0.598 20 0 CCADLP CN(C(=O)C(C)(C)C[NH3+])[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662900526 414880072 /nfs/dbraw/zinc/88/00/72/414880072.db2.gz MTVGANZUXJAHFU-CQSZACIVSA-N 3 2 296.459 0.598 20 0 CCADLP C[C@@]1(NC(=O)NCCCn2cc[nH+]c2)CC[NH2+]C1 ZINC000663221712 415020208 /nfs/dbraw/zinc/02/02/08/415020208.db2.gz QRYKRBZMFJBPNG-GFCCVEGCSA-N 2 2 251.334 0.324 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C[C@@](C)(C(F)F)O1 ZINC000663005479 414945579 /nfs/dbraw/zinc/94/55/79/414945579.db2.gz PFEZQDAYZFRJHA-BREBYQMCSA-N 2 2 293.358 0.537 20 0 CCADLP C[NH2+]C[C@H](C)[NH2+]Cc1cnc(N2CCOCC2)s1 ZINC000663509066 415079662 /nfs/dbraw/zinc/07/96/62/415079662.db2.gz VPDIXYFSKZRNAA-JTQLQIEISA-N 2 2 270.402 0.677 20 0 CCADLP C[NH2+]C[C@H](C)[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000663515062 415082630 /nfs/dbraw/zinc/08/26/30/415082630.db2.gz ZFZXMLPVBKQDMQ-JTQLQIEISA-N 2 2 261.325 0.480 20 0 CCADLP COc1c(N)[nH+]cnc1N1CCCC[C@H]1CC[NH3+] ZINC000663240178 415027304 /nfs/dbraw/zinc/02/73/04/415027304.db2.gz ZEQISBYEDZSQTK-VIFPVBQESA-N 2 2 251.334 0.775 20 0 CCADLP COc1c(N)nc[nH+]c1N1CCCC[C@H]1CC[NH3+] ZINC000663240178 415027309 /nfs/dbraw/zinc/02/73/09/415027309.db2.gz ZEQISBYEDZSQTK-VIFPVBQESA-N 2 2 251.334 0.775 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC[C@H](C)[NH+](C)C ZINC000663640017 415101110 /nfs/dbraw/zinc/10/11/10/415101110.db2.gz ZTPOJFFHDHDEAI-OLZOCXBDSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCC[NH+](C)C1CC1 ZINC000664094518 415242768 /nfs/dbraw/zinc/24/27/68/415242768.db2.gz MQXZHAGLHNTFRU-OLZOCXBDSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCC[NH+](C)C1CC1 ZINC000664094518 415242773 /nfs/dbraw/zinc/24/27/73/415242773.db2.gz MQXZHAGLHNTFRU-OLZOCXBDSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[NH+]1CCNC(=O)NCC[N@H+](C)C1CC1 ZINC000664094518 415242777 /nfs/dbraw/zinc/24/27/77/415242777.db2.gz MQXZHAGLHNTFRU-OLZOCXBDSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[NH+]1CCNC(=O)NCC[N@@H+](C)C1CC1 ZINC000664094518 415242782 /nfs/dbraw/zinc/24/27/82/415242782.db2.gz MQXZHAGLHNTFRU-OLZOCXBDSA-N 2 2 298.431 0.489 20 0 CCADLP Cc1nc(N(CC[NH+](C)C)CC(=O)N(C)C)cc[nH+]1 ZINC000664356190 415357534 /nfs/dbraw/zinc/35/75/34/415357534.db2.gz YXWKGMZFBYVLAI-UHFFFAOYSA-N 2 2 265.361 0.241 20 0 CCADLP Nc1[nH+]cnc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1Cl ZINC000664600274 415430452 /nfs/dbraw/zinc/43/04/52/415430452.db2.gz TUUIHYJOYMNYRA-SNVBAGLBSA-N 2 2 297.790 0.748 20 0 CCADLP Nc1[nH+]cnc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1Cl ZINC000664600274 415430462 /nfs/dbraw/zinc/43/04/62/415430462.db2.gz TUUIHYJOYMNYRA-SNVBAGLBSA-N 2 2 297.790 0.748 20 0 CCADLP C[C@@H]1CC[C@@H]1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664891465 415484452 /nfs/dbraw/zinc/48/44/52/415484452.db2.gz NFQQNFBEWFWOCI-OLZOCXBDSA-N 2 2 270.421 0.968 20 0 CCADLP C[C@@H]1CC[C@@H]1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664891465 415484458 /nfs/dbraw/zinc/48/44/58/415484458.db2.gz NFQQNFBEWFWOCI-OLZOCXBDSA-N 2 2 270.421 0.968 20 0 CCADLP C[C@H]([NH2+]Cc1nnnn1-c1ccccc1)C1C[NH2+]C1 ZINC000665237524 415572730 /nfs/dbraw/zinc/57/27/30/415572730.db2.gz CPANYXPOXSDBFL-JTQLQIEISA-N 2 2 258.329 0.360 20 0 CCADLP Cc1cncc(CC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)n1 ZINC000665274240 415583655 /nfs/dbraw/zinc/58/36/55/415583655.db2.gz MEXZNQXFGCANGQ-LSDHHAIUSA-N 2 2 276.384 0.684 20 0 CCADLP CC(C)[NH+]1CCC([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000665289674 415586472 /nfs/dbraw/zinc/58/64/72/415586472.db2.gz UMIRNBNHWDRCPQ-UHFFFAOYSA-N 3 2 279.388 0.603 20 0 CCADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000665296779 415590233 /nfs/dbraw/zinc/59/02/33/415590233.db2.gz XQHXDLNYBSXWHC-UWVGGRQHSA-N 2 2 271.386 0.593 20 0 CCADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000665293688 415591228 /nfs/dbraw/zinc/59/12/28/415591228.db2.gz ASTVRYLYKJCRRC-RWMBFGLXSA-N 3 2 291.399 0.651 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCN(CC(=O)NC2CC2)CC1 ZINC000077121638 177226718 /nfs/dbraw/zinc/22/67/18/177226718.db2.gz IAZHCROIABQRCQ-UHFFFAOYSA-N 2 2 291.399 0.088 20 0 CCADLP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000417920791 227176931 /nfs/dbraw/zinc/17/69/31/227176931.db2.gz HARISSOPDORBEQ-SRVKXCTJSA-N 2 2 277.372 0.695 20 0 CCADLP C[C@H](CC[NH3+])NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000417933029 227222888 /nfs/dbraw/zinc/22/28/88/227222888.db2.gz XBAJDQUOFZVVGL-VXGBXAGGSA-N 2 2 277.372 0.697 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000045630674 544432659 /nfs/dbraw/zinc/43/26/59/544432659.db2.gz ALCZKJFVSUYOGT-CYBMUJFWSA-N 2 2 251.374 0.706 20 0 CCADLP C[C@@H](C(=O)N1CCC[C@H]1C[NH+]1CCOCC1)[NH+](C)C ZINC000078753421 544469800 /nfs/dbraw/zinc/46/98/00/544469800.db2.gz USLBBDQDAXCKDT-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP C[N@@H+]1CCC[C@@H](NC(=O)c2csc(C[NH3+])n2)C1 ZINC000090931384 544525357 /nfs/dbraw/zinc/52/53/57/544525357.db2.gz NFAXQTSUOLKSDO-MRVPVSSYSA-N 2 2 254.359 0.426 20 0 CCADLP C[N@H+]1CCC[C@@H](NC(=O)c2csc(C[NH3+])n2)C1 ZINC000090931384 544525360 /nfs/dbraw/zinc/52/53/60/544525360.db2.gz NFAXQTSUOLKSDO-MRVPVSSYSA-N 2 2 254.359 0.426 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111247368 544561814 /nfs/dbraw/zinc/56/18/14/544561814.db2.gz QFYLLWLTIMPCHR-JTQLQIEISA-N 2 2 276.262 0.578 20 0 CCADLP Cc1nc(NCCC[N@@H+]2CCCO[C@@H](C)C2)nc(N)[nH+]1 ZINC000631247707 419483507 /nfs/dbraw/zinc/48/35/07/419483507.db2.gz GPPWGMQZMWOSQH-JTQLQIEISA-N 2 2 280.376 0.097 20 0 CCADLP Cc1nc(NCCC[N@H+]2CCCO[C@@H](C)C2)nc(N)[nH+]1 ZINC000631247707 419483513 /nfs/dbraw/zinc/48/35/13/419483513.db2.gz GPPWGMQZMWOSQH-JTQLQIEISA-N 2 2 280.376 0.097 20 0 CCADLP Cc1nc(N)nc(NCCC[N@@H+]2CCCO[C@@H](C)C2)[nH+]1 ZINC000631247707 419483521 /nfs/dbraw/zinc/48/35/21/419483521.db2.gz GPPWGMQZMWOSQH-JTQLQIEISA-N 2 2 280.376 0.097 20 0 CCADLP Cc1nc(N)nc(NCCC[N@H+]2CCCO[C@@H](C)C2)[nH+]1 ZINC000631247707 419483531 /nfs/dbraw/zinc/48/35/31/419483531.db2.gz GPPWGMQZMWOSQH-JTQLQIEISA-N 2 2 280.376 0.097 20 0 CCADLP C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838129 419490296 /nfs/dbraw/zinc/49/02/96/419490296.db2.gz JFNFOYZBWYOBJM-OPRDCNLKSA-N 2 2 279.392 0.107 20 0 CCADLP C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838129 419490306 /nfs/dbraw/zinc/49/03/06/419490306.db2.gz JFNFOYZBWYOBJM-OPRDCNLKSA-N 2 2 279.392 0.107 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000119522129 544568400 /nfs/dbraw/zinc/56/84/00/544568400.db2.gz CCVZGJBDNIOBMW-UPJWGTAASA-N 2 2 295.387 0.290 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000119522129 544568404 /nfs/dbraw/zinc/56/84/04/544568404.db2.gz CCVZGJBDNIOBMW-UPJWGTAASA-N 2 2 295.387 0.290 20 0 CCADLP CC[C@H](C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000123969870 544585892 /nfs/dbraw/zinc/58/58/92/544585892.db2.gz ZWGWQYJQRZTUJE-TUAOUCFPSA-N 2 2 257.378 0.162 20 0 CCADLP CC[C@H](C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000123969870 544585894 /nfs/dbraw/zinc/58/58/94/544585894.db2.gz ZWGWQYJQRZTUJE-TUAOUCFPSA-N 2 2 257.378 0.162 20 0 CCADLP COc1ccc(C[N@H+](C)C[C@H]2C[NH2+]CCO2)cc1O ZINC000125486690 544591971 /nfs/dbraw/zinc/59/19/71/544591971.db2.gz JQIHJHJKJSGUPL-GFCCVEGCSA-N 2 2 266.341 0.821 20 0 CCADLP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000134976358 544632599 /nfs/dbraw/zinc/63/25/99/544632599.db2.gz CRNXRSGUDYGGNC-ZIAGYGMSSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000134976358 544632604 /nfs/dbraw/zinc/63/26/04/544632604.db2.gz CRNXRSGUDYGGNC-ZIAGYGMSSA-N 2 2 283.416 0.554 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNc2nc(N3CCOCC3)cc[nH+]2)C1 ZINC000153371392 544663510 /nfs/dbraw/zinc/66/35/10/544663510.db2.gz AJWYHYTWBCHVDK-LBPRGKRZSA-N 2 2 293.371 0.056 20 0 CCADLP C[N@H+]1CCO[C@@H](CNc2nc(N3CCOCC3)cc[nH+]2)C1 ZINC000153371392 544663512 /nfs/dbraw/zinc/66/35/12/544663512.db2.gz AJWYHYTWBCHVDK-LBPRGKRZSA-N 2 2 293.371 0.056 20 0 CCADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cccc(-n2cnnn2)c1 ZINC000154239955 544668309 /nfs/dbraw/zinc/66/83/09/544668309.db2.gz BTYBUEGZWBSEGW-BXUZGUMPSA-N 2 2 290.371 0.235 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)S(C)(=O)=O)CC[N@@H+]1C ZINC000156610776 544678824 /nfs/dbraw/zinc/67/88/24/544678824.db2.gz SZEWEWILOIOHMJ-MNOVXSKESA-N 2 2 262.419 0.882 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)S(C)(=O)=O)CC[N@H+]1C ZINC000156610776 544678829 /nfs/dbraw/zinc/67/88/29/544678829.db2.gz SZEWEWILOIOHMJ-MNOVXSKESA-N 2 2 262.419 0.882 20 0 CCADLP C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000159861668 544695164 /nfs/dbraw/zinc/69/51/64/544695164.db2.gz FQXLKSJGYLKKOA-JGVFFNPUSA-N 2 2 253.268 0.334 20 0 CCADLP C[C@@H](C(=O)NCC(F)(F)F)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000159861668 544695167 /nfs/dbraw/zinc/69/51/67/544695167.db2.gz FQXLKSJGYLKKOA-JGVFFNPUSA-N 2 2 253.268 0.334 20 0 CCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccoc1 ZINC000163239287 544715259 /nfs/dbraw/zinc/71/52/59/544715259.db2.gz CFBULNBNBBNBIZ-NSHDSACASA-N 2 2 251.330 0.704 20 0 CCADLP C[C@@H]1C[C@H]1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179310684 544751103 /nfs/dbraw/zinc/75/11/03/544751103.db2.gz ZGBYVEHFFVOYBC-DGCLKSJQSA-N 2 2 268.405 0.720 20 0 CCADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000226544330 544831720 /nfs/dbraw/zinc/83/17/20/544831720.db2.gz SCIFVDWSCVUVFL-BFHYXJOUSA-N 2 2 255.406 0.779 20 0 CCADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000226544330 544831724 /nfs/dbraw/zinc/83/17/24/544831724.db2.gz SCIFVDWSCVUVFL-BFHYXJOUSA-N 2 2 255.406 0.779 20 0 CCADLP Cc1cc(NC(=O)CC[N@@H+]2CCO[C@@H]([C@H](C)[NH3+])C2)no1 ZINC000228136934 544841683 /nfs/dbraw/zinc/84/16/83/544841683.db2.gz HKHLWZMMJKZLHS-WDEREUQCSA-N 2 2 282.344 0.360 20 0 CCADLP Cc1cc(NC(=O)CC[N@H+]2CCO[C@@H]([C@H](C)[NH3+])C2)no1 ZINC000228136934 544841686 /nfs/dbraw/zinc/84/16/86/544841686.db2.gz HKHLWZMMJKZLHS-WDEREUQCSA-N 2 2 282.344 0.360 20 0 CCADLP COc1cc[nH+]c(CN2CCO[C@H]([C@@H](C)[NH3+])C2)c1OC ZINC000232198097 544862861 /nfs/dbraw/zinc/86/28/61/544862861.db2.gz NSGWRZXWGFHDLX-MFKMUULPSA-N 2 2 281.356 0.647 20 0 CCADLP [NH3+]Cc1ccc(C(=O)NCCCC[NH+]2CCOCC2)o1 ZINC000237907656 544900103 /nfs/dbraw/zinc/90/01/03/544900103.db2.gz WNSDUSVKVRFUHG-UHFFFAOYSA-N 2 2 281.356 0.581 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000422967846 287625590 /nfs/dbraw/zinc/62/55/90/287625590.db2.gz UMDNLBYUHWWLCW-HIFRSBDPSA-N 3 2 268.449 0.600 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000422986569 287625883 /nfs/dbraw/zinc/62/58/83/287625883.db2.gz CTJUTIYJXQMQEW-SLBVQIDZSA-N 3 2 281.444 0.952 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCc2c[nH+]c[nH]2)C(C)(C)C1 ZINC000281121420 544960000 /nfs/dbraw/zinc/96/00/00/544960000.db2.gz IDONTRVUUQHWPG-UHFFFAOYSA-N 2 2 250.346 0.895 20 0 CCADLP C[N@H+]1CCN(C(=O)CCc2c[nH+]c[nH]2)C(C)(C)C1 ZINC000281121420 544960002 /nfs/dbraw/zinc/96/00/02/544960002.db2.gz IDONTRVUUQHWPG-UHFFFAOYSA-N 2 2 250.346 0.895 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCc2c[nH]c[nH+]2)C(C)(C)C1 ZINC000281121420 544960004 /nfs/dbraw/zinc/96/00/04/544960004.db2.gz IDONTRVUUQHWPG-UHFFFAOYSA-N 2 2 250.346 0.895 20 0 CCADLP C[N@H+]1CCN(C(=O)CCc2c[nH]c[nH+]2)C(C)(C)C1 ZINC000281121420 544960006 /nfs/dbraw/zinc/96/00/06/544960006.db2.gz IDONTRVUUQHWPG-UHFFFAOYSA-N 2 2 250.346 0.895 20 0 CCADLP C[C@H](C(=O)N1CC2CCC1(C[NH3+])CC2)[NH+]1CCN(C)CC1 ZINC000519825811 269772707 /nfs/dbraw/zinc/77/27/07/269772707.db2.gz CTPUFBHXXPRLFD-VQCLRJIVSA-N 2 2 294.443 0.352 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000521366094 260087992 /nfs/dbraw/zinc/08/79/92/260087992.db2.gz GJRWBNPHUGJMRE-GFCCVEGCSA-N 2 2 290.371 0.460 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC000357406971 545078694 /nfs/dbraw/zinc/07/86/94/545078694.db2.gz OXOJGFHVGLRMHK-CYBMUJFWSA-N 2 2 280.372 0.569 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC000357406971 545078696 /nfs/dbraw/zinc/07/86/96/545078696.db2.gz OXOJGFHVGLRMHK-CYBMUJFWSA-N 2 2 280.372 0.569 20 0 CCADLP CC(C)[C@](C)(O)C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422981841 276037814 /nfs/dbraw/zinc/03/78/14/276037814.db2.gz UPJIJUNIAMYBFI-BFHYXJOUSA-N 2 2 256.390 0.750 20 0 CCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000247044364 276092058 /nfs/dbraw/zinc/09/20/58/276092058.db2.gz VMYQRDYTOCMKII-GJZGRUSLSA-N 2 2 297.443 0.897 20 0 CCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000247044364 276092060 /nfs/dbraw/zinc/09/20/60/276092060.db2.gz VMYQRDYTOCMKII-GJZGRUSLSA-N 2 2 297.443 0.897 20 0 CCADLP CC1(C)NC(=O)CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449387661 276153806 /nfs/dbraw/zinc/15/38/06/276153806.db2.gz MLHVQOHLHMJACT-CHWSQXEVSA-N 2 2 283.416 0.480 20 0 CCADLP CC1(C)NC(=O)CC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449387661 276153807 /nfs/dbraw/zinc/15/38/07/276153807.db2.gz MLHVQOHLHMJACT-CHWSQXEVSA-N 2 2 283.416 0.480 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(OC(=O)N(C)C)CC1 ZINC000496879800 276307297 /nfs/dbraw/zinc/30/72/97/276307297.db2.gz CBNHMIHCAYBAMT-LBPRGKRZSA-N 2 2 287.404 0.462 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(OC(=O)N(C)C)CC1 ZINC000496879800 276307298 /nfs/dbraw/zinc/30/72/98/276307298.db2.gz CBNHMIHCAYBAMT-LBPRGKRZSA-N 2 2 287.404 0.462 20 0 CCADLP CN(CCC[NH3+])C(=O)NCCCNc1cccc[nH+]1 ZINC000518343822 276931786 /nfs/dbraw/zinc/93/17/86/276931786.db2.gz GXRWGTYAUZWATL-UHFFFAOYSA-N 2 2 265.361 0.874 20 0 CCADLP C[N@@H+]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000340035085 277048694 /nfs/dbraw/zinc/04/86/94/277048694.db2.gz IQJIFCUNBBQXQE-GFCCVEGCSA-N 2 2 262.357 0.610 20 0 CCADLP C[N@H+]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000340035085 277048695 /nfs/dbraw/zinc/04/86/95/277048695.db2.gz IQJIFCUNBBQXQE-GFCCVEGCSA-N 2 2 262.357 0.610 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CC[C@@H](F)C2)[C@@H](C[NH3+])C1 ZINC000516167782 277092258 /nfs/dbraw/zinc/09/22/58/277092258.db2.gz XJVCOSKLKDMDDM-MXWKQRLJSA-N 2 2 258.341 0.161 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CC[C@@H](F)C2)[C@@H](C[NH3+])C1 ZINC000516167782 277092260 /nfs/dbraw/zinc/09/22/60/277092260.db2.gz XJVCOSKLKDMDDM-MXWKQRLJSA-N 2 2 258.341 0.161 20 0 CCADLP C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC000335491128 277185178 /nfs/dbraw/zinc/18/51/78/277185178.db2.gz JTFSEHGTJOVRDQ-BBRMVZONSA-N 2 2 288.395 1.000 20 0 CCADLP C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC000335491128 277185179 /nfs/dbraw/zinc/18/51/79/277185179.db2.gz JTFSEHGTJOVRDQ-BBRMVZONSA-N 2 2 288.395 1.000 20 0 CCADLP C[N@@H+]1CC[C@]2(CC[NH+]([C@H]3CCN(C4CC4)C3=O)C2)C1 ZINC000334191842 277186074 /nfs/dbraw/zinc/18/60/74/277186074.db2.gz JVYVLYVYMYGWCN-ZFWWWQNUSA-N 2 2 263.385 0.777 20 0 CCADLP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CCN(C4CC4)C3=O)C2)C1 ZINC000334191842 277186075 /nfs/dbraw/zinc/18/60/75/277186075.db2.gz JVYVLYVYMYGWCN-ZFWWWQNUSA-N 2 2 263.385 0.777 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CCN(C4CC4)C3=O)C2)C1 ZINC000334191842 277186076 /nfs/dbraw/zinc/18/60/76/277186076.db2.gz JVYVLYVYMYGWCN-ZFWWWQNUSA-N 2 2 263.385 0.777 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CCN(C4CC4)C3=O)C2)C1 ZINC000334191842 277186077 /nfs/dbraw/zinc/18/60/77/277186077.db2.gz JVYVLYVYMYGWCN-ZFWWWQNUSA-N 2 2 263.385 0.777 20 0 CCADLP C[C@@H]1[C@@H]([NH+]2CCOCC2)CCN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000352027336 278083325 /nfs/dbraw/zinc/08/33/25/278083325.db2.gz KISBODBFVLNJLB-KBMXLJTQSA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1[C@@H]([NH+]2CCOCC2)CCN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000352027336 278083326 /nfs/dbraw/zinc/08/33/26/278083326.db2.gz KISBODBFVLNJLB-KBMXLJTQSA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1[C@@H](N2CCOCC2)CC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000352027336 278083327 /nfs/dbraw/zinc/08/33/27/278083327.db2.gz KISBODBFVLNJLB-KBMXLJTQSA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1[C@@H](N2CCOCC2)CC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000352027336 278083328 /nfs/dbraw/zinc/08/33/28/278083328.db2.gz KISBODBFVLNJLB-KBMXLJTQSA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1[C@@H](N2CCOCC2)CC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000352027336 278083329 /nfs/dbraw/zinc/08/33/29/278083329.db2.gz KISBODBFVLNJLB-KBMXLJTQSA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1[C@@H](N2CCOCC2)CC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000352027336 278083330 /nfs/dbraw/zinc/08/33/30/278083330.db2.gz KISBODBFVLNJLB-KBMXLJTQSA-N 2 2 297.443 0.237 20 0 CCADLP C[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000157279810 278223839 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20 0 CCADLP CC(=O)[C@](C)(O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000450505137 278239061 /nfs/dbraw/zinc/23/90/61/278239061.db2.gz XUNRHEIPFVGEQG-BFHYXJOUSA-N 2 2 254.374 0.743 20 0 CCADLP CC(=O)[C@](C)(O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000450505137 278239062 /nfs/dbraw/zinc/23/90/62/278239062.db2.gz XUNRHEIPFVGEQG-BFHYXJOUSA-N 2 2 254.374 0.743 20 0 CCADLP CCC(CC)[C@@H](C(=O)NC[C@H](C)C[NH3+])[NH+]1CCOCC1 ZINC000441605565 278603453 /nfs/dbraw/zinc/60/34/53/278603453.db2.gz TUQXTCRCXVZZHX-OCCSQVGLSA-N 2 2 285.432 0.834 20 0 CCADLP C[C@@H]1C[NH+]=C(N2CC[NH+](CCn3cccn3)CC2)S1 ZINC000079497273 278834895 /nfs/dbraw/zinc/83/48/95/278834895.db2.gz XHORDCDAZHOOFN-GFCCVEGCSA-N 2 2 279.413 0.992 20 0 CCADLP C[C@@H]1[N@H+](C[C@@H](O)C[NH+](C)C2CC2)CCOC1(C)C ZINC000336788938 279025299 /nfs/dbraw/zinc/02/52/99/279025299.db2.gz HXWGYBIVCUOEEL-AAEUAGOBSA-N 2 2 256.390 0.941 20 0 CCADLP C[C@@H]1[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)CCOC1(C)C ZINC000336788938 279025300 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CCN(CCC[NH2+][C@H]1C[N@H+](CC)C[C@H]1C)S(C)(=O)=O ZINC000343382697 279185558 /nfs/dbraw/zinc/18/55/58/279185558.db2.gz GZQGYAWKQZLDSE-OLZOCXBDSA-N 2 2 291.461 0.588 20 0 CCADLP CCN(CCC[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C)S(C)(=O)=O ZINC000343382697 279185559 /nfs/dbraw/zinc/18/55/59/279185559.db2.gz GZQGYAWKQZLDSE-OLZOCXBDSA-N 2 2 291.461 0.588 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)CC1 ZINC000420355991 279346809 /nfs/dbraw/zinc/34/68/09/279346809.db2.gz CGEPDFVJZJUVQT-LJISPDSOSA-N 3 2 296.459 0.515 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000514619844 279377431 /nfs/dbraw/zinc/37/74/31/279377431.db2.gz RYOBQIOQVUVXFG-CHWSQXEVSA-N 2 2 275.356 0.467 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000514619844 279377432 /nfs/dbraw/zinc/37/74/32/279377432.db2.gz RYOBQIOQVUVXFG-CHWSQXEVSA-N 2 2 275.356 0.467 20 0 CCADLP C[C@H](Cn1cccn1)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000070143524 279387022 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0 CCADLP CC[C@@H](C)NC(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366535248 280107724 /nfs/dbraw/zinc/10/77/24/280107724.db2.gz NUTIMFIBEBOLNR-TZMCWYRMSA-N 2 2 253.390 0.929 20 0 CCADLP CC[C@@H](C)NC(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366535248 280107725 /nfs/dbraw/zinc/10/77/25/280107725.db2.gz NUTIMFIBEBOLNR-TZMCWYRMSA-N 2 2 253.390 0.929 20 0 CCADLP O=C([C@H]1CC(F)(F)C[NH2+]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000446406137 280124502 /nfs/dbraw/zinc/12/45/02/280124502.db2.gz OSPPIIGLYCUKGR-KXUCPTDWSA-N 2 2 259.300 0.337 20 0 CCADLP C[C@]1(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)CC[NH2+]C1 ZINC000262068741 280154829 /nfs/dbraw/zinc/15/48/29/280154829.db2.gz RWCNXAMIEZPUOT-VHSXEESVSA-N 2 2 252.280 0.985 20 0 CCADLP C[C@]1(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)CC[NH2+]C1 ZINC000262068741 280154832 /nfs/dbraw/zinc/15/48/32/280154832.db2.gz RWCNXAMIEZPUOT-VHSXEESVSA-N 2 2 252.280 0.985 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000417530334 280285818 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C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493191452 288710820 /nfs/dbraw/zinc/71/08/20/288710820.db2.gz PBHFUQFIWMAGCT-DEOOVVBZSA-N 2 2 290.367 0.745 20 0 CCADLP C[C@H](C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)C1C[NH2+]C1 ZINC000357237269 289268584 /nfs/dbraw/zinc/26/85/84/289268584.db2.gz GZMXGAZCFRAYKI-DZGCQCFKSA-N 2 2 295.427 0.555 20 0 CCADLP C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261588483 289350583 /nfs/dbraw/zinc/35/05/83/289350583.db2.gz KFSMSUODEJKJGE-XFWSIPNHSA-N 2 2 279.306 0.723 20 0 CCADLP C[C@H](C(=O)NCC(F)(F)F)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261588483 289350584 /nfs/dbraw/zinc/35/05/84/289350584.db2.gz KFSMSUODEJKJGE-XFWSIPNHSA-N 2 2 279.306 0.723 20 0 CCADLP C[C@H](C(=O)NCCC[NH+]1CCCC1)[NH+]1CCN(C)CC1 ZINC000352768768 289352587 /nfs/dbraw/zinc/35/25/87/289352587.db2.gz JAWWATLKYBFUIC-CQSZACIVSA-N 2 2 282.432 0.224 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(Cc2c[nH+]c(N(C)C)n2C)[C@H](C)C1 ZINC000362279883 290114977 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C[C@H](C(=O)N1CC[N@@H+](C)CC[C@H]1C)[NH+]1CCSCC1 ZINC000335316243 298048236 /nfs/dbraw/zinc/04/82/36/298048236.db2.gz HNJILCRWGSIIMC-CHWSQXEVSA-N 2 2 285.457 0.976 20 0 CCADLP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000417502679 300325769 /nfs/dbraw/zinc/32/57/69/300325769.db2.gz JWVFHLYRTDCNKW-QWHCGFSZSA-N 2 2 298.431 0.394 20 0 CCADLP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000417502679 300325772 /nfs/dbraw/zinc/32/57/72/300325772.db2.gz JWVFHLYRTDCNKW-QWHCGFSZSA-N 2 2 298.431 0.394 20 0 CCADLP O=C(COC1C[NH2+]C1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000430761657 303632567 /nfs/dbraw/zinc/63/25/67/303632567.db2.gz KQTKLFPQOAESMB-UHFFFAOYSA-N 2 2 290.367 0.286 20 0 CCADLP COc1cc(C)[nH+]c(CN2CC[N@H+](CCO)C[C@H]2C)c1 ZINC000449785812 533698154 /nfs/dbraw/zinc/69/81/54/533698154.db2.gz JHWXNVZDSWJHPI-CYBMUJFWSA-N 2 2 279.384 0.897 20 0 CCADLP COc1cc(C)[nH+]c(CN2CC[N@@H+](CCO)C[C@H]2C)c1 ZINC000449785812 533698160 /nfs/dbraw/zinc/69/81/60/533698160.db2.gz JHWXNVZDSWJHPI-CYBMUJFWSA-N 2 2 279.384 0.897 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCSC)CC1 ZINC000170901263 327673475 /nfs/dbraw/zinc/67/34/75/327673475.db2.gz KHTKHHDTQBKJRM-UHFFFAOYSA-N 2 2 273.446 0.835 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@](C)(OC)C1 ZINC000394069117 329100729 /nfs/dbraw/zinc/10/07/29/329100729.db2.gz NQXFHZHPEGKAQC-UONOGXRCSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@](C)(OC)C1 ZINC000394069117 329100730 /nfs/dbraw/zinc/10/07/30/329100730.db2.gz NQXFHZHPEGKAQC-UONOGXRCSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@](C)(OC)C1 ZINC000394069117 329100731 /nfs/dbraw/zinc/10/07/31/329100731.db2.gz NQXFHZHPEGKAQC-UONOGXRCSA-N 2 2 274.405 0.426 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C[NH+]1CC(C)(C)C1 ZINC000584241606 327125477 /nfs/dbraw/zinc/12/54/77/327125477.db2.gz PRWKSAVCKKHBKH-ZDUSSCGKSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2CC[C@@H](F)C2)C[C@H](C)O1 ZINC000573678359 327247868 /nfs/dbraw/zinc/24/78/68/327247868.db2.gz WVZHYYRAFGZYHP-XVIXHAIJSA-N 2 2 274.380 0.937 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2CC[C@@H](F)C2)C[C@H](C)O1 ZINC000573678359 327247869 /nfs/dbraw/zinc/24/78/69/327247869.db2.gz WVZHYYRAFGZYHP-XVIXHAIJSA-N 2 2 274.380 0.937 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC000574032403 327282596 /nfs/dbraw/zinc/28/25/96/327282596.db2.gz ADNZTKAGFVHNCO-MRVWCRGKSA-N 2 2 264.373 0.316 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC000574032403 327282597 /nfs/dbraw/zinc/28/25/97/327282597.db2.gz ADNZTKAGFVHNCO-MRVWCRGKSA-N 2 2 264.373 0.316 20 0 CCADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000387569114 327353717 /nfs/dbraw/zinc/35/37/17/327353717.db2.gz IKRFVIRHWUBIFP-KBPBESRZSA-N 2 2 297.443 0.944 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000583443270 327368289 /nfs/dbraw/zinc/36/82/89/327368289.db2.gz FZEDMQUCRMTPAB-NSHDSACASA-N 2 2 273.340 0.538 20 0 CCADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)[C@@H]1CCCCC[NH2+]1 ZINC000582231034 328825351 /nfs/dbraw/zinc/82/53/51/328825351.db2.gz CMGQKLATPPWKGL-MNOVXSKESA-N 2 2 275.343 0.880 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@](C)(OC)C1 ZINC000394069117 329100728 /nfs/dbraw/zinc/10/07/28/329100728.db2.gz NQXFHZHPEGKAQC-UONOGXRCSA-N 2 2 274.405 0.426 20 0 CCADLP CCOC[C@H](C)[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000582541880 329109043 /nfs/dbraw/zinc/10/90/43/329109043.db2.gz PJVIJDMCUOZVDN-FQUUOJAGSA-N 2 2 274.405 0.471 20 0 CCADLP CCOC[C@H](C)[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000582541880 329109044 /nfs/dbraw/zinc/10/90/44/329109044.db2.gz PJVIJDMCUOZVDN-FQUUOJAGSA-N 2 2 274.405 0.471 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](n2cc(C)cn2)C1 ZINC000582554639 329110907 /nfs/dbraw/zinc/11/09/07/329110907.db2.gz SWSZLQOBPGLDBT-UONOGXRCSA-N 2 2 266.389 0.751 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](n2cc(C)cn2)C1 ZINC000582554639 329110908 /nfs/dbraw/zinc/11/09/08/329110908.db2.gz SWSZLQOBPGLDBT-UONOGXRCSA-N 2 2 266.389 0.751 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000582554639 329110910 /nfs/dbraw/zinc/11/09/10/329110910.db2.gz SWSZLQOBPGLDBT-UONOGXRCSA-N 2 2 266.389 0.751 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000582554639 329110911 /nfs/dbraw/zinc/11/09/11/329110911.db2.gz SWSZLQOBPGLDBT-UONOGXRCSA-N 2 2 266.389 0.751 20 0 CCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C[NH+]1CC(C)(C)C1 ZINC000582615624 329118104 /nfs/dbraw/zinc/11/81/04/329118104.db2.gz BWAZGGUXGCFANI-GFCCVEGCSA-N 2 2 253.390 0.881 20 0 CCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)C[NH+]1CC(C)(C)C1 ZINC000582615624 329118105 /nfs/dbraw/zinc/11/81/05/329118105.db2.gz BWAZGGUXGCFANI-GFCCVEGCSA-N 2 2 253.390 0.881 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000582972764 329296954 /nfs/dbraw/zinc/29/69/54/329296954.db2.gz ILFQBLDQAFCFPS-VXGBXAGGSA-N 2 2 280.372 0.425 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000582972764 329296956 /nfs/dbraw/zinc/29/69/56/329296956.db2.gz ILFQBLDQAFCFPS-VXGBXAGGSA-N 2 2 280.372 0.425 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000582972764 329296957 /nfs/dbraw/zinc/29/69/57/329296957.db2.gz ILFQBLDQAFCFPS-VXGBXAGGSA-N 2 2 280.372 0.425 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000582972764 329296959 /nfs/dbraw/zinc/29/69/59/329296959.db2.gz ILFQBLDQAFCFPS-VXGBXAGGSA-N 2 2 280.372 0.425 20 0 CCADLP O=C1CCCN1CC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000583087174 329308484 /nfs/dbraw/zinc/30/84/84/329308484.db2.gz LGVBYUBLBWULAH-UHFFFAOYSA-N 2 2 295.427 0.435 20 0 CCADLP C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000583889521 329530287 /nfs/dbraw/zinc/53/02/87/329530287.db2.gz NJDKCGPANCRSEZ-OLZOCXBDSA-N 2 2 276.384 0.856 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCc2c(cnn2C)C1 ZINC000580462256 330142429 /nfs/dbraw/zinc/14/24/29/330142429.db2.gz VCNHFFPTFFSLFE-ZDUSSCGKSA-N 2 2 266.389 0.481 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCc2c(cnn2C)C1 ZINC000580462256 330142430 /nfs/dbraw/zinc/14/24/30/330142430.db2.gz VCNHFFPTFFSLFE-ZDUSSCGKSA-N 2 2 266.389 0.481 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCc2c(cnn2C)C1 ZINC000580462256 330142432 /nfs/dbraw/zinc/14/24/32/330142432.db2.gz VCNHFFPTFFSLFE-ZDUSSCGKSA-N 2 2 266.389 0.481 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCc2c(cnn2C)C1 ZINC000580462256 330142433 /nfs/dbraw/zinc/14/24/33/330142433.db2.gz VCNHFFPTFFSLFE-ZDUSSCGKSA-N 2 2 266.389 0.481 20 0 CCADLP COC[C@H]([NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1)C(C)C ZINC000543455096 330375092 /nfs/dbraw/zinc/37/50/92/330375092.db2.gz SUPCDOUVBOQCGG-AJNGGQMLSA-N 2 2 288.432 0.717 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]CCOCC(F)F)C1CC1 ZINC000379864903 335106746 /nfs/dbraw/zinc/10/67/46/335106746.db2.gz RTSMWAAADFXIIM-SNVBAGLBSA-N 2 2 252.305 0.313 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]CCOCC(F)F)C1CC1 ZINC000379864903 335106747 /nfs/dbraw/zinc/10/67/47/335106747.db2.gz RTSMWAAADFXIIM-SNVBAGLBSA-N 2 2 252.305 0.313 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)CC1 ZINC000575920242 335130907 /nfs/dbraw/zinc/13/09/07/335130907.db2.gz RFLGHNJBENIMDU-GJZGRUSLSA-N 2 2 295.427 0.651 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)CC1 ZINC000575920242 335130908 /nfs/dbraw/zinc/13/09/08/335130908.db2.gz RFLGHNJBENIMDU-GJZGRUSLSA-N 2 2 295.427 0.651 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)[C@@H](C[NH3+])C1 ZINC000576134875 335159218 /nfs/dbraw/zinc/15/92/18/335159218.db2.gz RDGVCRAIDKYNEO-KBPBESRZSA-N 3 2 297.447 0.178 20 0 CCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC[NH+]1CCC1)CC2 ZINC000565659898 334585508 /nfs/dbraw/zinc/58/55/08/334585508.db2.gz IDSMVXAYXCGXGW-LBPRGKRZSA-N 2 2 262.357 0.576 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCn2cccc2)C[C@@H](C)O1 ZINC000566111135 334624269 /nfs/dbraw/zinc/62/42/69/334624269.db2.gz YPNBQNCLDNYCMS-RBSFLKMASA-N 2 2 281.400 0.548 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000576451329 335204894 /nfs/dbraw/zinc/20/48/94/335204894.db2.gz VQQWLKOAAINYRG-DZGCQCFKSA-N 2 2 298.431 0.396 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000576451329 335204896 /nfs/dbraw/zinc/20/48/96/335204896.db2.gz VQQWLKOAAINYRG-DZGCQCFKSA-N 2 2 298.431 0.396 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000576531245 335216443 /nfs/dbraw/zinc/21/64/43/335216443.db2.gz WCCFSLVELDZMNF-ZDUSSCGKSA-N 2 2 285.432 0.537 20 0 CCADLP CCO[C@@H]1CCCC[C@H]1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000576569002 335219807 /nfs/dbraw/zinc/21/98/07/335219807.db2.gz HIUXSNYDTHHDIC-MGPQQGTHSA-N 2 2 298.431 0.618 20 0 CCADLP CCO[C@@H]1CCCC[C@H]1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000576569002 335219809 /nfs/dbraw/zinc/21/98/09/335219809.db2.gz HIUXSNYDTHHDIC-MGPQQGTHSA-N 2 2 298.431 0.618 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC000576994016 335275189 /nfs/dbraw/zinc/27/51/89/335275189.db2.gz JGZIMKMWRBBMMU-TZMCWYRMSA-N 2 2 276.384 0.902 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC(=O)NCCc1ccccc1 ZINC000580550994 335278569 /nfs/dbraw/zinc/27/85/69/335278569.db2.gz NZGMPANETCECHM-ZFWWWQNUSA-N 2 2 275.396 0.933 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)[C@@H](C)C[N@@H+]1C ZINC000577015991 335282324 /nfs/dbraw/zinc/28/23/24/335282324.db2.gz FCCFUKCOUMPELJ-MNOVXSKESA-N 2 2 250.346 0.514 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)[C@@H](C)C[N@H+]1C ZINC000577015991 335282326 /nfs/dbraw/zinc/28/23/26/335282326.db2.gz FCCFUKCOUMPELJ-MNOVXSKESA-N 2 2 250.346 0.514 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCSC[C@H]1C[NH+](C)CCO1 ZINC000580563221 335286705 /nfs/dbraw/zinc/28/67/05/335286705.db2.gz IKPNSFDRMCLBBZ-QWHCGFSZSA-N 2 2 274.430 0.771 20 0 CCADLP C[C@H]1COCC[N@H+]1CCSC[C@H]1C[NH+](C)CCO1 ZINC000580563221 335286706 /nfs/dbraw/zinc/28/67/06/335286706.db2.gz IKPNSFDRMCLBBZ-QWHCGFSZSA-N 2 2 274.430 0.771 20 0 CCADLP C[C@H]1COCC[NH+]1CCSC[C@H]1C[N@H+](C)CCO1 ZINC000580563221 335286707 /nfs/dbraw/zinc/28/67/07/335286707.db2.gz IKPNSFDRMCLBBZ-QWHCGFSZSA-N 2 2 274.430 0.771 20 0 CCADLP C[C@H]1COCC[NH+]1CCSC[C@H]1C[N@@H+](C)CCO1 ZINC000580563221 335286708 /nfs/dbraw/zinc/28/67/08/335286708.db2.gz IKPNSFDRMCLBBZ-QWHCGFSZSA-N 2 2 274.430 0.771 20 0 CCADLP CCO[C@H](C)c1noc(C[N@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000580565026 335287179 /nfs/dbraw/zinc/28/71/79/335287179.db2.gz RESHWHJZHIHIIN-GFCCVEGCSA-N 2 2 297.403 0.504 20 0 CCADLP CCO[C@H](C)c1noc(C[N@@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000580565026 335287180 /nfs/dbraw/zinc/28/71/80/335287180.db2.gz RESHWHJZHIHIIN-GFCCVEGCSA-N 2 2 297.403 0.504 20 0 CCADLP C[C@]1(C[NH3+])CC[N@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000580564761 335287219 /nfs/dbraw/zinc/28/72/19/335287219.db2.gz IYILVCJLAXNGLG-LLVKDONJSA-N 2 2 260.403 0.482 20 0 CCADLP C[C@]1(C[NH3+])CC[N@@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000580564761 335287220 /nfs/dbraw/zinc/28/72/20/335287220.db2.gz IYILVCJLAXNGLG-LLVKDONJSA-N 2 2 260.403 0.482 20 0 CCADLP Cc1cc(CC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)on1 ZINC000577285300 335335439 /nfs/dbraw/zinc/33/54/39/335335439.db2.gz LNYQTJHLMMFOER-UHFFFAOYSA-N 2 2 294.399 0.668 20 0 CCADLP COC(=O)CC[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000577506496 335361537 /nfs/dbraw/zinc/36/15/37/335361537.db2.gz XYKVPQLLFCJVGQ-LBPRGKRZSA-N 2 2 270.373 0.735 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000577622159 335380107 /nfs/dbraw/zinc/38/01/07/335380107.db2.gz XJFZEDMKKZVHBJ-NXEZZACHSA-N 2 2 270.295 0.610 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000577622159 335380109 /nfs/dbraw/zinc/38/01/09/335380109.db2.gz XJFZEDMKKZVHBJ-NXEZZACHSA-N 2 2 270.295 0.610 20 0 CCADLP Cc1cnc(CC[NH2+]Cc2c[nH+]c(N(C)C)n2C)cn1 ZINC000578007901 335457353 /nfs/dbraw/zinc/45/73/53/335457353.db2.gz WZHPYGZYBYODHI-UHFFFAOYSA-N 2 2 274.372 0.917 20 0 CCADLP CO[C@@H](C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)C1CC1 ZINC000578022937 335463795 /nfs/dbraw/zinc/46/37/95/335463795.db2.gz JLSMBIABQTXSDS-LBPRGKRZSA-N 2 2 250.346 0.957 20 0 CCADLP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]([NH3+])c1cscn1 ZINC000578618110 335654285 /nfs/dbraw/zinc/65/42/85/335654285.db2.gz AZHCVGUOWSIKNG-VIFPVBQESA-N 2 2 256.375 0.586 20 0 CCADLP C[C@@H](C(=O)N(C)Cc1[nH+]ccn1C)[NH+]1CC(C)C1 ZINC000579001670 335698584 /nfs/dbraw/zinc/69/85/84/335698584.db2.gz KKAMVXIWFJIOLY-NSHDSACASA-N 2 2 250.346 0.719 20 0 CCADLP NC(=O)C[C@H]([NH2+]CC[NH+]1CCCCC1)C1CCOCC1 ZINC000181929123 335791070 /nfs/dbraw/zinc/79/10/70/335791070.db2.gz KYBXDJDGDMWCDT-AWEZNQCLSA-N 2 2 283.416 0.733 20 0 CCADLP CCCC[C@H](COC)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000581121240 336011028 /nfs/dbraw/zinc/01/10/28/336011028.db2.gz WYCYTAASTMSULI-OLZOCXBDSA-N 2 2 286.420 0.476 20 0 CCADLP CCCC[C@H](COC)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000581121240 336011029 /nfs/dbraw/zinc/01/10/29/336011029.db2.gz WYCYTAASTMSULI-OLZOCXBDSA-N 2 2 286.420 0.476 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000581375315 336064346 /nfs/dbraw/zinc/06/43/46/336064346.db2.gz ZAHDBKHQYLPHHK-HNNXBMFYSA-N 2 2 290.363 0.706 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000581375315 336064348 /nfs/dbraw/zinc/06/43/48/336064348.db2.gz ZAHDBKHQYLPHHK-HNNXBMFYSA-N 2 2 290.363 0.706 20 0 CCADLP C[N@@H+](C[C@@H](O)CN1CCC[C@@H]([NH+]2CCOCC2)C1)C1CC1 ZINC000382703602 336096015 /nfs/dbraw/zinc/09/60/15/336096015.db2.gz CZHJQMLWBHKMFZ-HZPDHXFCSA-N 2 2 297.443 0.238 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H](N2CCOCC2)C1)C1CC1 ZINC000382703602 336096016 /nfs/dbraw/zinc/09/60/16/336096016.db2.gz CZHJQMLWBHKMFZ-HZPDHXFCSA-N 2 2 297.443 0.238 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H](N2CCOCC2)C1)C1CC1 ZINC000382703602 336096017 /nfs/dbraw/zinc/09/60/17/336096017.db2.gz CZHJQMLWBHKMFZ-HZPDHXFCSA-N 2 2 297.443 0.238 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H](N2CCOCC2)C1)C1CC1 ZINC000382703602 336096018 /nfs/dbraw/zinc/09/60/18/336096018.db2.gz CZHJQMLWBHKMFZ-HZPDHXFCSA-N 2 2 297.443 0.238 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H](N2CCOCC2)C1)C1CC1 ZINC000382703602 336096019 /nfs/dbraw/zinc/09/60/19/336096019.db2.gz CZHJQMLWBHKMFZ-HZPDHXFCSA-N 2 2 297.443 0.238 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)C1(C[NH3+])CCC1 ZINC000385465321 336147609 /nfs/dbraw/zinc/14/76/09/336147609.db2.gz LOCHGYHLCGIYSR-SECBINFHSA-N 2 2 256.350 0.034 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C1(C[NH3+])CCC1 ZINC000385465321 336147610 /nfs/dbraw/zinc/14/76/10/336147610.db2.gz LOCHGYHLCGIYSR-SECBINFHSA-N 2 2 256.350 0.034 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]CCOc1ncccc1F)C1CC1 ZINC000581879360 336157330 /nfs/dbraw/zinc/15/73/30/336157330.db2.gz FUWOLNCTIFPJOC-LBPRGKRZSA-N 2 2 283.347 0.644 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]CCOc1ncccc1F)C1CC1 ZINC000581879360 336157331 /nfs/dbraw/zinc/15/73/31/336157331.db2.gz FUWOLNCTIFPJOC-LBPRGKRZSA-N 2 2 283.347 0.644 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]CCOc1ncccc1F)C1CC1 ZINC000581879359 336157365 /nfs/dbraw/zinc/15/73/65/336157365.db2.gz FUWOLNCTIFPJOC-GFCCVEGCSA-N 2 2 283.347 0.644 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]CCOc1ncccc1F)C1CC1 ZINC000581879359 336157366 /nfs/dbraw/zinc/15/73/66/336157366.db2.gz FUWOLNCTIFPJOC-GFCCVEGCSA-N 2 2 283.347 0.644 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000386222062 336168345 /nfs/dbraw/zinc/16/83/45/336168345.db2.gz ZDRYFAGKMUGPDD-MJBXVCDLSA-N 2 2 258.406 0.903 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000386222062 336168347 /nfs/dbraw/zinc/16/83/47/336168347.db2.gz ZDRYFAGKMUGPDD-MJBXVCDLSA-N 2 2 258.406 0.903 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000386222062 336168341 /nfs/dbraw/zinc/16/83/41/336168341.db2.gz ZDRYFAGKMUGPDD-MJBXVCDLSA-N 2 2 258.406 0.903 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000386222062 336168343 /nfs/dbraw/zinc/16/83/43/336168343.db2.gz ZDRYFAGKMUGPDD-MJBXVCDLSA-N 2 2 258.406 0.903 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)OC)CC1 ZINC000386334880 336171070 /nfs/dbraw/zinc/17/10/70/336171070.db2.gz KODBTJLMGZZYSA-GFCCVEGCSA-N 2 2 258.362 0.184 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)OC)CC1 ZINC000386334880 336171071 /nfs/dbraw/zinc/17/10/71/336171071.db2.gz KODBTJLMGZZYSA-GFCCVEGCSA-N 2 2 258.362 0.184 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000386345262 336171173 /nfs/dbraw/zinc/17/11/73/336171173.db2.gz MEJOTVXOXRDZCR-DGCLKSJQSA-N 3 2 252.362 0.316 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000386345262 336171175 /nfs/dbraw/zinc/17/11/75/336171175.db2.gz MEJOTVXOXRDZCR-DGCLKSJQSA-N 3 2 252.362 0.316 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)CCO1 ZINC000417429721 545094014 /nfs/dbraw/zinc/09/40/14/545094014.db2.gz WAJBGJQAZJLULN-STQMWFEESA-N 2 2 298.431 0.666 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)CCO1 ZINC000417429721 545094015 /nfs/dbraw/zinc/09/40/15/545094015.db2.gz WAJBGJQAZJLULN-STQMWFEESA-N 2 2 298.431 0.666 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]Cc1cccc2c1OCO2 ZINC000184542358 521116640 /nfs/dbraw/zinc/11/66/40/521116640.db2.gz WYRXKSFNLDTSPW-UHFFFAOYSA-N 2 2 266.341 0.819 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]Cc1cccc2c1OCO2 ZINC000184542358 521116649 /nfs/dbraw/zinc/11/66/49/521116649.db2.gz WYRXKSFNLDTSPW-UHFFFAOYSA-N 2 2 266.341 0.819 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000417516681 545094067 /nfs/dbraw/zinc/09/40/67/545094067.db2.gz OIJKKDKCPBGHBU-JHJVBQTASA-N 2 2 284.404 0.276 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000417516681 545094068 /nfs/dbraw/zinc/09/40/68/545094068.db2.gz OIJKKDKCPBGHBU-JHJVBQTASA-N 2 2 284.404 0.276 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424191984 533799899 /nfs/dbraw/zinc/79/98/99/533799899.db2.gz OIMYJOXGHGLVES-IUCAKERBSA-N 2 2 261.316 0.488 20 0 CCADLP Cc1cc(NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc[nH+]1 ZINC000358484088 534028381 /nfs/dbraw/zinc/02/83/81/534028381.db2.gz XQZUDFZQRZDTFH-CYBMUJFWSA-N 2 2 264.329 0.000 20 0 CCADLP Cc1cc(NC(=O)NC[C@]2(O)CC[N@H+](C)C2)cc[nH+]1 ZINC000358484088 534028386 /nfs/dbraw/zinc/02/83/86/534028386.db2.gz XQZUDFZQRZDTFH-CYBMUJFWSA-N 2 2 264.329 0.000 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000262169357 535847503 /nfs/dbraw/zinc/84/75/03/535847503.db2.gz QEQLNUHRZOMBPV-SDDRHHMPSA-N 2 2 257.378 0.197 20 0 CCADLP COC(=O)c1coc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCO2)c1 ZINC000423580727 534323357 /nfs/dbraw/zinc/32/33/57/534323357.db2.gz YGGNJDDPKVBGJL-ONGXEEELSA-N 2 2 268.313 0.705 20 0 CCADLP Cc1cc[nH+]cc1N1CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000450897818 534424137 /nfs/dbraw/zinc/42/41/37/534424137.db2.gz BAEXLALNHWZVFS-CQSZACIVSA-N 2 2 277.368 0.927 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)N1CC[NH+](C)CC1 ZINC000070422946 519878379 /nfs/dbraw/zinc/87/83/79/519878379.db2.gz PKTYYAIQKNWKAX-UHFFFAOYSA-N 2 2 250.346 0.781 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000163912032 519884827 /nfs/dbraw/zinc/88/48/27/519884827.db2.gz ZDSGFBYUEPZEMO-GHMZBOCLSA-N 2 2 270.377 0.139 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000163912032 519884828 /nfs/dbraw/zinc/88/48/28/519884828.db2.gz ZDSGFBYUEPZEMO-GHMZBOCLSA-N 2 2 270.377 0.139 20 0 CCADLP CC(=O)NC[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)CCO1 ZINC000515496380 534475771 /nfs/dbraw/zinc/47/57/71/534475771.db2.gz NPEZSOQWXJANDC-CQSZACIVSA-N 2 2 280.372 0.190 20 0 CCADLP CC(=O)NC[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)CCO1 ZINC000515496380 534475781 /nfs/dbraw/zinc/47/57/81/534475781.db2.gz NPEZSOQWXJANDC-CQSZACIVSA-N 2 2 280.372 0.190 20 0 CCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000083018421 520250927 /nfs/dbraw/zinc/25/09/27/520250927.db2.gz ZEUZLOLKFVMKIM-CQSZACIVSA-N 2 2 298.431 0.302 20 0 CCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000083018421 520250932 /nfs/dbraw/zinc/25/09/32/520250932.db2.gz ZEUZLOLKFVMKIM-CQSZACIVSA-N 2 2 298.431 0.302 20 0 CCADLP CC[NH+](CC)CCC[N@H+]1CC[C@@H](S(=O)(=O)NC)C1 ZINC000365190527 520609485 /nfs/dbraw/zinc/60/94/85/520609485.db2.gz OUMJKLZHCOQJBQ-GFCCVEGCSA-N 2 2 277.434 0.342 20 0 CCADLP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](S(=O)(=O)NC)C1 ZINC000365190527 520609475 /nfs/dbraw/zinc/60/94/75/520609475.db2.gz OUMJKLZHCOQJBQ-GFCCVEGCSA-N 2 2 277.434 0.342 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150756039 521741007 /nfs/dbraw/zinc/74/10/07/521741007.db2.gz YRDHGJGANMRBSG-GFCCVEGCSA-N 2 2 282.388 0.250 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150756039 521741008 /nfs/dbraw/zinc/74/10/08/521741008.db2.gz YRDHGJGANMRBSG-GFCCVEGCSA-N 2 2 282.388 0.250 20 0 CCADLP O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000423751400 534601409 /nfs/dbraw/zinc/60/14/09/534601409.db2.gz FGUNAFWMRKXBKZ-XNRPHZJLSA-N 2 2 293.411 0.356 20 0 CCADLP O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000423751400 534601418 /nfs/dbraw/zinc/60/14/18/534601418.db2.gz FGUNAFWMRKXBKZ-XNRPHZJLSA-N 2 2 293.411 0.356 20 0 CCADLP COC[C@@H]1C[N@H+](CCCn2cc[nH+]c2C)CCO1 ZINC000363450031 522506798 /nfs/dbraw/zinc/50/67/98/522506798.db2.gz OFYASGJDOOZGDK-ZDUSSCGKSA-N 2 2 253.346 0.929 20 0 CCADLP COC[C@@H]1C[N@@H+](CCCn2cc[nH+]c2C)CCO1 ZINC000363450031 522506804 /nfs/dbraw/zinc/50/68/04/522506804.db2.gz OFYASGJDOOZGDK-ZDUSSCGKSA-N 2 2 253.346 0.929 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+](Cc2cnc(N)s2)CC1 ZINC000340714269 522777802 /nfs/dbraw/zinc/77/78/02/522777802.db2.gz SVJRWWMDKDWQLB-UHFFFAOYSA-N 2 2 284.429 0.834 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+](Cc2cnc(N)s2)CC1 ZINC000340714269 522777810 /nfs/dbraw/zinc/77/78/10/522777810.db2.gz SVJRWWMDKDWQLB-UHFFFAOYSA-N 2 2 284.429 0.834 20 0 CCADLP [NH3+]C[C@@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000418409034 534664812 /nfs/dbraw/zinc/66/48/12/534664812.db2.gz VDNGVMNJHGWEHK-CYBMUJFWSA-N 2 2 289.383 0.651 20 0 CCADLP C[NH+]1CCC(CC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000365866428 523753870 /nfs/dbraw/zinc/75/38/70/523753870.db2.gz NGGXFSHKWBPTOD-OAHLLOKOSA-N 2 2 295.427 0.651 20 0 CCADLP CO[C@H](C[NH3+])C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000353425116 523930884 /nfs/dbraw/zinc/93/08/84/523930884.db2.gz IPXUNIPZUZXJLZ-CQSZACIVSA-N 2 2 288.351 0.521 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)cc[nH+]1 ZINC000423792044 534753982 /nfs/dbraw/zinc/75/39/82/534753982.db2.gz YZFCFLJGLRFVOP-LBPRGKRZSA-N 2 2 275.356 0.186 20 0 CCADLP C[C@@H](C(=O)NC(C)(C)CCC[NH3+])[NH+]1CCOCC1 ZINC000340129888 524157819 /nfs/dbraw/zinc/15/78/19/524157819.db2.gz AIPVXZOCMPNAQA-NSHDSACASA-N 2 2 257.378 0.341 20 0 CCADLP CS(=O)(=O)CCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150785000 525114578 /nfs/dbraw/zinc/11/45/78/525114578.db2.gz YCCTVXJHKUEGCS-ZDUSSCGKSA-N 2 2 274.430 0.839 20 0 CCADLP CS(=O)(=O)CCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150785000 525114572 /nfs/dbraw/zinc/11/45/72/525114572.db2.gz YCCTVXJHKUEGCS-ZDUSSCGKSA-N 2 2 274.430 0.839 20 0 CCADLP C[C@@H]1C[C@@H](NC[C@@H]2C[NH+](C)CCN2C)CC[N@@H+]1C ZINC000156298908 525267986 /nfs/dbraw/zinc/26/79/86/525267986.db2.gz BWFPOMUPHTVYHP-HZSPNIEDSA-N 2 2 254.422 0.305 20 0 CCADLP C[C@@H]1C[C@@H](NC[C@@H]2C[NH+](C)CCN2C)CC[N@H+]1C ZINC000156298908 525267995 /nfs/dbraw/zinc/26/79/95/525267995.db2.gz BWFPOMUPHTVYHP-HZSPNIEDSA-N 2 2 254.422 0.305 20 0 CCADLP C[C@@H]1C[C@@H](NC[C@@H]2C[N@H+](C)CCN2C)CC[NH+]1C ZINC000156298908 525268002 /nfs/dbraw/zinc/26/80/02/525268002.db2.gz BWFPOMUPHTVYHP-HZSPNIEDSA-N 2 2 254.422 0.305 20 0 CCADLP C[C@@H]1C[C@@H](NC[C@@H]2C[N@@H+](C)CCN2C)CC[NH+]1C ZINC000156298908 525268005 /nfs/dbraw/zinc/26/80/05/525268005.db2.gz BWFPOMUPHTVYHP-HZSPNIEDSA-N 2 2 254.422 0.305 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(C)CCN2C)CC[N@@H+]1C ZINC000156298908 525268011 /nfs/dbraw/zinc/26/80/11/525268011.db2.gz BWFPOMUPHTVYHP-HZSPNIEDSA-N 2 2 254.422 0.305 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(C)CCN2C)CC[N@H+]1C ZINC000156298908 525268017 /nfs/dbraw/zinc/26/80/17/525268017.db2.gz BWFPOMUPHTVYHP-HZSPNIEDSA-N 2 2 254.422 0.305 20 0 CCADLP CSCC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000157333735 525544815 /nfs/dbraw/zinc/54/48/15/525544815.db2.gz SHVIKJBOAHRQHB-NWDGAFQWSA-N 2 2 287.429 0.046 20 0 CCADLP CSCC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000157333735 525544821 /nfs/dbraw/zinc/54/48/21/525544821.db2.gz SHVIKJBOAHRQHB-NWDGAFQWSA-N 2 2 287.429 0.046 20 0 CCADLP C[N@@H+](C[C@@H](O)CC(F)(F)F)C1CC[NH+](CCO)CC1 ZINC000346233889 536418067 /nfs/dbraw/zinc/41/80/67/536418067.db2.gz CQJUZEISMRKSQZ-NSHDSACASA-N 2 2 284.322 0.688 20 0 CCADLP C1CC1[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@@H]1C[NH2+]CCO1 ZINC000423431610 526421344 /nfs/dbraw/zinc/42/13/44/526421344.db2.gz LYEOYNLYIYGZTC-FZKCQIBNSA-N 3 2 279.428 0.731 20 0 CCADLP CN(C)c1ccc(CNC(=O)C2([NH+](C)C)CC2)c[nH+]1 ZINC000666249066 545117240 /nfs/dbraw/zinc/11/72/40/545117240.db2.gz SBHWPDWARJUYRM-UHFFFAOYSA-N 2 2 262.357 0.858 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)NC1CCOCC1 ZINC000150769265 526798961 /nfs/dbraw/zinc/79/89/61/526798961.db2.gz DHTHZWCRQUNNEO-AWEZNQCLSA-N 2 2 295.427 0.699 20 0 CCADLP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)NC1CCOCC1 ZINC000150769265 526798963 /nfs/dbraw/zinc/79/89/63/526798963.db2.gz DHTHZWCRQUNNEO-AWEZNQCLSA-N 2 2 295.427 0.699 20 0 CCADLP CCn1nccc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000666558773 545125430 /nfs/dbraw/zinc/12/54/30/545125430.db2.gz AJXZJQLKHMGBSV-UHFFFAOYSA-N 2 2 296.419 0.908 20 0 CCADLP CCn1nccc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000666558773 545125431 /nfs/dbraw/zinc/12/54/31/545125431.db2.gz AJXZJQLKHMGBSV-UHFFFAOYSA-N 2 2 296.419 0.908 20 0 CCADLP C[NH2+]CC[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000666777152 545130995 /nfs/dbraw/zinc/13/09/95/545130995.db2.gz JDTXGYHPLFKVJJ-UHFFFAOYSA-N 3 2 251.374 0.936 20 0 CCADLP COc1ncccc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000666826025 545131956 /nfs/dbraw/zinc/13/19/56/545131956.db2.gz IJCZDLYVTFMIOA-SNVBAGLBSA-N 2 2 279.344 0.197 20 0 CCADLP COc1ncccc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000666826025 545131957 /nfs/dbraw/zinc/13/19/57/545131957.db2.gz IJCZDLYVTFMIOA-SNVBAGLBSA-N 2 2 279.344 0.197 20 0 CCADLP Fc1cccn2cc(C[NH2+]C[C@@H]3C[NH2+]CCO3)nc12 ZINC000667036150 545137659 /nfs/dbraw/zinc/13/76/59/545137659.db2.gz FPDWURFGUBXCTH-NSHDSACASA-N 2 2 264.304 0.551 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000667182590 545140717 /nfs/dbraw/zinc/14/07/17/545140717.db2.gz FOZGUJBUARVBGD-GHMZBOCLSA-N 2 2 274.368 0.868 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000667182590 545140718 /nfs/dbraw/zinc/14/07/18/545140718.db2.gz FOZGUJBUARVBGD-GHMZBOCLSA-N 2 2 274.368 0.868 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000667182590 545140719 /nfs/dbraw/zinc/14/07/19/545140719.db2.gz FOZGUJBUARVBGD-GHMZBOCLSA-N 2 2 274.368 0.868 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000667182590 545140720 /nfs/dbraw/zinc/14/07/20/545140720.db2.gz FOZGUJBUARVBGD-GHMZBOCLSA-N 2 2 274.368 0.868 20 0 CCADLP C[C@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)c1[nH+]ccn1C ZINC000667252075 545142181 /nfs/dbraw/zinc/14/21/81/545142181.db2.gz AELCPGQWFCPWNW-GXFFZTMASA-N 2 2 283.376 0.093 20 0 CCADLP C[C@@H](NC(=O)N(C)CC[NH+](C)C)c1[nH+]ccn1C ZINC000667253442 545142517 /nfs/dbraw/zinc/14/25/17/545142517.db2.gz CVOXGQPXTPGWKP-SNVBAGLBSA-N 2 2 253.350 0.684 20 0 CCADLP NC(=O)CC1CC[NH+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667513086 545148909 /nfs/dbraw/zinc/14/89/09/545148909.db2.gz YPKKBVJTNSPQBE-UHFFFAOYSA-N 2 2 262.357 0.917 20 0 CCADLP NS(=O)(=O)[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000364926369 527300199 /nfs/dbraw/zinc/30/01/99/527300199.db2.gz ZSQODDNJNJKXLU-LLVKDONJSA-N 2 2 272.374 0.026 20 0 CCADLP NS(=O)(=O)[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000364926369 527300191 /nfs/dbraw/zinc/30/01/91/527300191.db2.gz ZSQODDNJNJKXLU-LLVKDONJSA-N 2 2 272.374 0.026 20 0 CCADLP CCn1nc2c(cc1=O)C[N@@H+](Cc1c[nH+]c(C)n1C)CC2 ZINC000667676903 545153323 /nfs/dbraw/zinc/15/33/23/545153323.db2.gz BONZVOYYLGARTD-UHFFFAOYSA-N 2 2 287.367 0.863 20 0 CCADLP CCn1nc2c(cc1=O)C[N@H+](Cc1c[nH+]c(C)n1C)CC2 ZINC000667676903 545153324 /nfs/dbraw/zinc/15/33/24/545153324.db2.gz BONZVOYYLGARTD-UHFFFAOYSA-N 2 2 287.367 0.863 20 0 CCADLP CCN1C(=O)[C@H]2C[N@H+](Cc3c[nH+]c(C)n3C)CCN2C1=O ZINC000667695369 545153866 /nfs/dbraw/zinc/15/38/66/545153866.db2.gz QUYSCQNLLPCGAO-GFCCVEGCSA-N 2 2 291.355 0.197 20 0 CCADLP CCN1C(=O)[C@H]2C[N@@H+](Cc3c[nH+]c(C)n3C)CCN2C1=O ZINC000667695369 545153867 /nfs/dbraw/zinc/15/38/67/545153867.db2.gz QUYSCQNLLPCGAO-GFCCVEGCSA-N 2 2 291.355 0.197 20 0 CCADLP C([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)[C@@H]1C[NH2+]CCO1 ZINC000423560153 527490396 /nfs/dbraw/zinc/49/03/96/527490396.db2.gz JNSJVDZNRVZZCP-IGQOVBAYSA-N 2 2 266.385 0.912 20 0 CCADLP CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000668505632 545179604 /nfs/dbraw/zinc/17/96/04/545179604.db2.gz BNHAVBJNKLUVAL-UONOGXRCSA-N 2 2 298.408 0.724 20 0 CCADLP O=C1CC[C@H]2C[N@H+](Cc3c[nH+]c4n3CCC4)CC[C@H]2N1 ZINC000668545195 545181173 /nfs/dbraw/zinc/18/11/73/545181173.db2.gz NXXRIKMNULJIJG-WCQYABFASA-N 2 2 274.368 0.930 20 0 CCADLP O=C1CC[C@H]2C[N@@H+](Cc3c[nH+]c4n3CCC4)CC[C@H]2N1 ZINC000668545195 545181174 /nfs/dbraw/zinc/18/11/74/545181174.db2.gz NXXRIKMNULJIJG-WCQYABFASA-N 2 2 274.368 0.930 20 0 CCADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2C[NH2+]CCO2)C12CCC2 ZINC000423541307 527835350 /nfs/dbraw/zinc/83/53/50/527835350.db2.gz APMNVVHKQCCPMG-JHJVBQTASA-N 2 2 254.374 0.912 20 0 CCADLP C[C@H]([NH3+])CNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000668992991 545196932 /nfs/dbraw/zinc/19/69/32/545196932.db2.gz VNUYOYMWQNFJFY-JTQLQIEISA-N 2 2 261.329 0.523 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000423433902 527960007 /nfs/dbraw/zinc/96/00/07/527960007.db2.gz XNYGVEKFCOTZAH-HIFRSBDPSA-N 2 2 281.400 0.308 20 0 CCADLP Cc1csc(CCNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])n1 ZINC000669387950 545206375 /nfs/dbraw/zinc/20/63/75/545206375.db2.gz ZAOZPCXSLMUUFJ-NSHDSACASA-N 2 2 297.428 0.278 20 0 CCADLP Cc1csc(CCNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])n1 ZINC000669387950 545206376 /nfs/dbraw/zinc/20/63/76/545206376.db2.gz ZAOZPCXSLMUUFJ-NSHDSACASA-N 2 2 297.428 0.278 20 0 CCADLP C[C@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C1CC1 ZINC000669412551 545207747 /nfs/dbraw/zinc/20/77/47/545207747.db2.gz SZQSBOMFYIAILJ-ZYHUDNBSSA-N 2 2 254.378 0.317 20 0 CCADLP C[C@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C1CC1 ZINC000669412551 545207748 /nfs/dbraw/zinc/20/77/48/545207748.db2.gz SZQSBOMFYIAILJ-ZYHUDNBSSA-N 2 2 254.378 0.317 20 0 CCADLP CC[C@@H]1CN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC[C@H]1[NH3+] ZINC000669461702 545208960 /nfs/dbraw/zinc/20/89/60/545208960.db2.gz UHXOIMDNYDUZLN-BFHYXJOUSA-N 2 2 298.431 0.476 20 0 CCADLP CC[C@@H]1CN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC[C@H]1[NH3+] ZINC000669461702 545208961 /nfs/dbraw/zinc/20/89/61/545208961.db2.gz UHXOIMDNYDUZLN-BFHYXJOUSA-N 2 2 298.431 0.476 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CC[C@@H]2C2CCC2)CC1 ZINC000669846932 545222148 /nfs/dbraw/zinc/22/21/48/545222148.db2.gz DGSAKCVLZGMHTN-ZIAGYGMSSA-N 2 2 265.401 0.929 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000669846988 545222220 /nfs/dbraw/zinc/22/22/20/545222220.db2.gz ZDFJXIJCYPFPAX-XQQFMLRXSA-N 2 2 251.374 0.539 20 0 CCADLP CN(C)c1c[nH+]ccc1NC(=O)N(C)CC[NH+](C)C ZINC000670078510 545228047 /nfs/dbraw/zinc/22/80/47/545228047.db2.gz BLRAIKLNCUXQQD-UHFFFAOYSA-N 2 2 265.361 0.595 20 0 CCADLP CN(C)c1c[nH+]ccc1NC(=O)NC1CC[NH+](C)CC1 ZINC000670080391 545228240 /nfs/dbraw/zinc/22/82/40/545228240.db2.gz MELAMTMRDLVHFV-UHFFFAOYSA-N 2 2 277.372 0.785 20 0 CCADLP CC(C)[C@@H](CNC(=O)/C=C\c1[nH]cc[nH+]1)[NH+]1CCOCC1 ZINC000493077967 528446569 /nfs/dbraw/zinc/44/65/69/528446569.db2.gz ZLQUJSOXUNXZLV-DHCBQETCSA-N 2 2 292.383 0.896 20 0 CCADLP CCCCNC(=O)NC(=O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420371833 528518231 /nfs/dbraw/zinc/51/82/31/528518231.db2.gz PTVPQRKZVMGENV-GMXVVIOVSA-N 2 2 284.404 0.588 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)N1CC[N@H+](CCC(=O)OC)[C@H](C)C1 ZINC000423896435 528536242 /nfs/dbraw/zinc/53/62/42/528536242.db2.gz NZEIQASNSPDRMK-OLZOCXBDSA-N 2 2 299.415 0.470 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)N1CC[N@@H+](CCC(=O)OC)[C@H](C)C1 ZINC000423896435 528536252 /nfs/dbraw/zinc/53/62/52/528536252.db2.gz NZEIQASNSPDRMK-OLZOCXBDSA-N 2 2 299.415 0.470 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449656907 528541314 /nfs/dbraw/zinc/54/13/14/528541314.db2.gz MWINZJYSPPCDLP-VHSXEESVSA-N 2 2 263.332 0.736 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]C1CCN(CC(F)F)CC1 ZINC000361456360 528550506 /nfs/dbraw/zinc/55/05/06/528550506.db2.gz JQRXZYIQNGZLGZ-UHFFFAOYSA-N 2 2 279.375 0.620 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]C1CCN(CC(F)F)CC1 ZINC000361456360 528550511 /nfs/dbraw/zinc/55/05/11/528550511.db2.gz JQRXZYIQNGZLGZ-UHFFFAOYSA-N 2 2 279.375 0.620 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000449143392 528551848 /nfs/dbraw/zinc/55/18/48/528551848.db2.gz WTJVWDVSKZIQFV-BFHYXJOUSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H](NC(=O)c1ccc2c[nH+]cn2c1)[C@H]1C[N@H+](C)CCO1 ZINC000670810594 545239413 /nfs/dbraw/zinc/23/94/13/545239413.db2.gz YMLBEHQMPQKHAH-BXUZGUMPSA-N 2 2 288.351 0.783 20 0 CCADLP C[C@@H](NC(=O)c1ccc2c[nH+]cn2c1)[C@H]1C[N@@H+](C)CCO1 ZINC000670810594 545239414 /nfs/dbraw/zinc/23/94/14/545239414.db2.gz YMLBEHQMPQKHAH-BXUZGUMPSA-N 2 2 288.351 0.783 20 0 CCADLP C[NH+]1CCC(C(=O)N[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000672147536 545263042 /nfs/dbraw/zinc/26/30/42/545263042.db2.gz PNKMZCCYNXOLQR-GFCCVEGCSA-N 2 2 262.357 0.656 20 0 CCADLP CCC([NH3+])(CC)CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000418207843 528936327 /nfs/dbraw/zinc/93/63/27/528936327.db2.gz IKDJPUNZFFSXQO-ZDUSSCGKSA-N 2 2 298.431 0.666 20 0 CCADLP CCC([NH3+])(CC)CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000418207843 528936333 /nfs/dbraw/zinc/93/63/33/528936333.db2.gz IKDJPUNZFFSXQO-ZDUSSCGKSA-N 2 2 298.431 0.666 20 0 CCADLP CCOC(=O)NCC(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000492460228 529048282 /nfs/dbraw/zinc/04/82/82/529048282.db2.gz XJGAQQAKXRSHHD-UHFFFAOYSA-N 2 2 289.295 0.952 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1CNc1cc[nH+]c(N2CCOCC2)n1 ZINC000450219592 529076015 /nfs/dbraw/zinc/07/60/15/529076015.db2.gz WVCSRUDZPVEZTN-CYBMUJFWSA-N 2 2 291.399 0.631 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CNc1cc[nH+]c(N2CCOCC2)n1 ZINC000450219592 529076022 /nfs/dbraw/zinc/07/60/22/529076022.db2.gz WVCSRUDZPVEZTN-CYBMUJFWSA-N 2 2 291.399 0.631 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)C1([NH3+])CCC1 ZINC000449344657 529131365 /nfs/dbraw/zinc/13/13/65/529131365.db2.gz DDAGUHCTHFGGBV-UHFFFAOYSA-N 2 2 255.362 0.095 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)C1([NH3+])CCC1 ZINC000449344657 529131367 /nfs/dbraw/zinc/13/13/67/529131367.db2.gz DDAGUHCTHFGGBV-UHFFFAOYSA-N 2 2 255.362 0.095 20 0 CCADLP Cc1cccn2cc(CCNC(=O)C[NH+](C)C)[nH+]c12 ZINC000673756812 545292314 /nfs/dbraw/zinc/29/23/14/545292314.db2.gz VMPUMNMFQAQEOX-UHFFFAOYSA-N 2 2 260.341 0.863 20 0 CCADLP CC[C@H]1C[N@H+](CC)CCN1CCC(=O)N1CC[NH+](C)CC1 ZINC000451733476 529289653 /nfs/dbraw/zinc/28/96/53/529289653.db2.gz ATLPJJCEVAURMQ-HNNXBMFYSA-N 2 2 296.459 0.567 20 0 CCADLP CC[C@H]1C[N@@H+](CC)CCN1CCC(=O)N1CC[NH+](C)CC1 ZINC000451733476 529289654 /nfs/dbraw/zinc/28/96/54/529289654.db2.gz ATLPJJCEVAURMQ-HNNXBMFYSA-N 2 2 296.459 0.567 20 0 CCADLP CC[C@H]1CN(CC)CC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000451733476 529289657 /nfs/dbraw/zinc/28/96/57/529289657.db2.gz ATLPJJCEVAURMQ-HNNXBMFYSA-N 2 2 296.459 0.567 20 0 CCADLP CC[C@H]1CN(CC)CC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000451733476 529289658 /nfs/dbraw/zinc/28/96/58/529289658.db2.gz ATLPJJCEVAURMQ-HNNXBMFYSA-N 2 2 296.459 0.567 20 0 CCADLP CC[C@@H]1CN(C(=O)C[NH2+]CC2CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000423875311 529363264 /nfs/dbraw/zinc/36/32/64/529363264.db2.gz MPWAADFFJSIEIP-CABCVRRESA-N 2 2 295.427 0.555 20 0 CCADLP Cn1ncnc1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000674250735 545301699 /nfs/dbraw/zinc/30/16/99/545301699.db2.gz FGKKWQAAVHDMMT-UHFFFAOYSA-N 2 2 267.377 0.358 20 0 CCADLP C[C@@H](C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)[NH+](C)C ZINC000674264807 545302010 /nfs/dbraw/zinc/30/20/10/545302010.db2.gz KVIDPOCOFGBLRX-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@@H](C(=O)NCCCCN1CC[NH+](C)CC1)[NH+](C)C ZINC000674286465 545302337 /nfs/dbraw/zinc/30/23/37/545302337.db2.gz LFPNDYXUBSMCKQ-ZDUSSCGKSA-N 2 2 270.421 0.080 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CN(C)CC[NH+]1C ZINC000357778460 535015495 /nfs/dbraw/zinc/01/54/95/535015495.db2.gz ICRQAMOFKFNXSS-ZIAGYGMSSA-N 2 2 299.463 0.260 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000674880497 545317270 /nfs/dbraw/zinc/31/72/70/545317270.db2.gz KGPPQLQFOVYMAJ-FJJYHAOUSA-N 2 2 294.399 0.247 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O ZINC000674880497 545317271 /nfs/dbraw/zinc/31/72/71/545317271.db2.gz KGPPQLQFOVYMAJ-FJJYHAOUSA-N 2 2 294.399 0.247 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CNc3ccnn3C2)C1 ZINC000674885148 545317337 /nfs/dbraw/zinc/31/73/37/545317337.db2.gz YZAYIYOWDBSZPV-YNEHKIRRSA-N 2 2 263.389 0.855 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CNc3ccnn3C2)C1 ZINC000674885148 545317338 /nfs/dbraw/zinc/31/73/38/545317338.db2.gz YZAYIYOWDBSZPV-YNEHKIRRSA-N 2 2 263.389 0.855 20 0 CCADLP OCC1(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)COC1 ZINC000674907218 545318558 /nfs/dbraw/zinc/31/85/58/545318558.db2.gz RAKXOXKWUWICMI-GFCCVEGCSA-N 2 2 251.330 0.529 20 0 CCADLP OCC1(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)COC1 ZINC000674907218 545318559 /nfs/dbraw/zinc/31/85/59/545318559.db2.gz RAKXOXKWUWICMI-GFCCVEGCSA-N 2 2 251.330 0.529 20 0 CCADLP O=C(Nc1ccc2[nH+]ccn2c1)N1CC[NH+](CCO)CC1 ZINC000675689613 545330357 /nfs/dbraw/zinc/33/03/57/545330357.db2.gz DMPFKRDZTKNJHD-UHFFFAOYSA-N 2 2 289.339 0.476 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000249688098 535637930 /nfs/dbraw/zinc/63/79/30/535637930.db2.gz HXNZKPKCHJWQGH-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000249688098 535637935 /nfs/dbraw/zinc/63/79/35/535637935.db2.gz HXNZKPKCHJWQGH-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@H](C)[NH+]2CCSCC2)C[C@H]1C ZINC000677181558 545360042 /nfs/dbraw/zinc/36/00/42/545360042.db2.gz ATZNZACXPLBURH-OLZOCXBDSA-N 2 2 285.457 0.976 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@H](C)[NH+]2CCSCC2)C[C@H]1C ZINC000677181558 545360043 /nfs/dbraw/zinc/36/00/43/545360043.db2.gz ATZNZACXPLBURH-OLZOCXBDSA-N 2 2 285.457 0.976 20 0 CCADLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cnn(C)c1 ZINC000361220715 535803735 /nfs/dbraw/zinc/80/37/35/535803735.db2.gz NJKNFKAYPQBZCD-ZIAGYGMSSA-N 2 2 293.415 0.801 20 0 CCADLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cnn(C)c1 ZINC000361220715 535803736 /nfs/dbraw/zinc/80/37/36/535803736.db2.gz NJKNFKAYPQBZCD-ZIAGYGMSSA-N 2 2 293.415 0.801 20 0 CCADLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1ccn(C)n1 ZINC000349461197 535803797 /nfs/dbraw/zinc/80/37/97/535803797.db2.gz QUDQPPUZYNRLPU-TZMCWYRMSA-N 2 2 293.415 0.801 20 0 CCADLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1ccn(C)n1 ZINC000349461197 535803798 /nfs/dbraw/zinc/80/37/98/535803798.db2.gz QUDQPPUZYNRLPU-TZMCWYRMSA-N 2 2 293.415 0.801 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+]([C@@H]2CCCOC2)CC1 ZINC000677695193 545370936 /nfs/dbraw/zinc/37/09/36/545370936.db2.gz JQGMUMSDDBAUFP-GFCCVEGCSA-N 2 2 250.346 0.721 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N2CC[NH2+]C(C)(C)C2)no1 ZINC000359259351 535979827 /nfs/dbraw/zinc/97/98/27/535979827.db2.gz JOUNTQDRFNSGRT-UHFFFAOYSA-N 2 2 266.345 0.560 20 0 CCADLP CN(CCC[NH2+]Cc1cccc2[nH+]ccn21)S(C)(=O)=O ZINC000678301349 545388733 /nfs/dbraw/zinc/38/87/33/545388733.db2.gz BNLXFPJDZKGSDK-UHFFFAOYSA-N 2 2 296.396 0.705 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)c2csc(C[NH3+])n2)n1C ZINC000269263074 536160328 /nfs/dbraw/zinc/16/03/28/536160328.db2.gz NZAIZRQFFAAJJZ-UHFFFAOYSA-N 2 2 294.384 0.331 20 0 CCADLP CC[N@@H+]1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)C[C@H]1C ZINC000678480398 545392255 /nfs/dbraw/zinc/39/22/55/545392255.db2.gz OVUCJWNMMWIREC-LLVKDONJSA-N 2 2 287.371 0.775 20 0 CCADLP CC[N@H+]1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)C[C@H]1C ZINC000678480398 545392256 /nfs/dbraw/zinc/39/22/56/545392256.db2.gz OVUCJWNMMWIREC-LLVKDONJSA-N 2 2 287.371 0.775 20 0 CCADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]CCC(=O)NC(N)=O ZINC000515415206 536351418 /nfs/dbraw/zinc/35/14/18/536351418.db2.gz NXMVBKPVKZQNCU-SNVBAGLBSA-N 2 2 270.377 0.281 20 0 CCADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]CCC(=O)NC(N)=O ZINC000515415206 536351422 /nfs/dbraw/zinc/35/14/22/536351422.db2.gz NXMVBKPVKZQNCU-SNVBAGLBSA-N 2 2 270.377 0.281 20 0 CCADLP COC(=O)N1CC([NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])C1 ZINC000497039195 536406240 /nfs/dbraw/zinc/40/62/40/536406240.db2.gz VEUWOBYZDOMKJE-RISCZKNCSA-N 2 2 277.368 0.985 20 0 CCADLP C[N@H+](C[C@@H](O)CC(F)(F)F)C1CC[NH+](CCO)CC1 ZINC000346233889 536418064 /nfs/dbraw/zinc/41/80/64/536418064.db2.gz CQJUZEISMRKSQZ-NSHDSACASA-N 2 2 284.322 0.688 20 0 CCADLP COC1(C(=O)N[C@H](C)Cn2cc[nH+]c2)CC[NH2+]CC1 ZINC000261588184 536539830 /nfs/dbraw/zinc/53/98/30/536539830.db2.gz KBZUDYDHMMWABD-LLVKDONJSA-N 2 2 266.345 0.156 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cnc3ccccn23)C1 ZINC000680815482 545434965 /nfs/dbraw/zinc/43/49/65/545434965.db2.gz QUVQTTFWAFLEHL-AWEZNQCLSA-N 2 2 260.341 0.491 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cnc3ccccn23)C1 ZINC000680815482 545434966 /nfs/dbraw/zinc/43/49/66/545434966.db2.gz QUVQTTFWAFLEHL-AWEZNQCLSA-N 2 2 260.341 0.491 20 0 CCADLP C[N@@H+]1CC[C@](O)(CNc2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000680830820 545435751 /nfs/dbraw/zinc/43/57/51/545435751.db2.gz PKTYOIPYFIFFQH-ZDUSSCGKSA-N 2 2 274.328 0.141 20 0 CCADLP C[N@H+]1CC[C@](O)(CNc2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000680830820 545435752 /nfs/dbraw/zinc/43/57/52/545435752.db2.gz PKTYOIPYFIFFQH-ZDUSSCGKSA-N 2 2 274.328 0.141 20 0 CCADLP CC(C)[C@](C)(O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681189682 545445004 /nfs/dbraw/zinc/44/50/04/545445004.db2.gz WPIRIIUAXXIEAE-CJNGLKHVSA-N 2 2 297.443 0.678 20 0 CCADLP CC(C)[C@](C)(O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681189682 545445005 /nfs/dbraw/zinc/44/50/05/545445005.db2.gz WPIRIIUAXXIEAE-CJNGLKHVSA-N 2 2 297.443 0.678 20 0 CCADLP COc1cccc(CC(=O)N2CC[NH+](CCC[NH3+])CC2)c1 ZINC000037037745 537100595 /nfs/dbraw/zinc/10/05/95/537100595.db2.gz IMKVZFCOBOFYDF-UHFFFAOYSA-N 2 2 291.395 0.731 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682482657 545480291 /nfs/dbraw/zinc/48/02/91/545480291.db2.gz GJWVQBXYBDOKIQ-GFCCVEGCSA-N 2 2 273.340 0.767 20 0 CCADLP CN(CC[NH+](C)C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000682507656 545481291 /nfs/dbraw/zinc/48/12/91/545481291.db2.gz SWSDRKFWGMIJJP-LLVKDONJSA-N 2 2 250.346 0.466 20 0 CCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC000682527047 545482340 /nfs/dbraw/zinc/48/23/40/545482340.db2.gz BVZDAIQROHWCGY-MGPQQGTHSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC000682527047 545482341 /nfs/dbraw/zinc/48/23/41/545482341.db2.gz BVZDAIQROHWCGY-MGPQQGTHSA-N 2 2 288.395 0.998 20 0 CCADLP CN(C(=O)CC(C)(C)O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000684281496 545639954 /nfs/dbraw/zinc/63/99/54/545639954.db2.gz FNIRXDAHGJLOCE-AWEZNQCLSA-N 2 2 297.443 0.774 20 0 CCADLP CN(C(=O)CC(C)(C)O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000684281496 545639955 /nfs/dbraw/zinc/63/99/55/545639955.db2.gz FNIRXDAHGJLOCE-AWEZNQCLSA-N 2 2 297.443 0.774 20 0 CCADLP C[N@H+]1C[C@H]2CN(c3cc(-n4cc[nH+]c4)ncn3)C[C@H]2C1 ZINC000683755870 545563186 /nfs/dbraw/zinc/56/31/86/545563186.db2.gz AIPNQLBQQDLQMM-TXEJJXNPSA-N 2 2 270.340 0.660 20 0 CCADLP C[N@@H+]1C[C@H]2CN(c3cc(-n4cc[nH+]c4)ncn3)C[C@H]2C1 ZINC000683755870 545563188 /nfs/dbraw/zinc/56/31/88/545563188.db2.gz AIPNQLBQQDLQMM-TXEJJXNPSA-N 2 2 270.340 0.660 20 0 CCADLP C[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C(N)=O ZINC000683724227 545559852 /nfs/dbraw/zinc/55/98/52/545559852.db2.gz DRWLEUDFGJXDEG-MRVPVSSYSA-N 2 2 267.295 0.867 20 0 CCADLP Cc1cc[nH+]cc1N1CCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000684995586 545780357 /nfs/dbraw/zinc/78/03/57/545780357.db2.gz YUHVGPQPVVIRHZ-ZDUSSCGKSA-N 2 2 276.384 0.989 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1[C@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]21 ZINC000961886409 649885257 /nfs/dbraw/zinc/88/52/57/649885257.db2.gz HHYABRYAOQJITE-PBOSXPJTSA-N 2 2 290.367 0.035 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]21 ZINC000961886409 649885258 /nfs/dbraw/zinc/88/52/58/649885258.db2.gz HHYABRYAOQJITE-PBOSXPJTSA-N 2 2 290.367 0.035 20 0 CCADLP C[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)[C@H](C(N)=O)C1 ZINC000778291349 581102633 /nfs/dbraw/zinc/10/26/33/581102633.db2.gz DPZICIRASLCIDX-UPJWGTAASA-N 2 2 269.389 0.029 20 0 CCADLP C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)[C@H](C(N)=O)C1 ZINC000778291349 581102634 /nfs/dbraw/zinc/10/26/34/581102634.db2.gz DPZICIRASLCIDX-UPJWGTAASA-N 2 2 269.389 0.029 20 0 CCADLP C[C@@H](CCO)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000779346087 581108347 /nfs/dbraw/zinc/10/83/47/581108347.db2.gz UFUOZRGSWLTROR-STQMWFEESA-N 2 2 271.405 0.290 20 0 CCADLP C[C@@H](CCO)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000779346087 581108349 /nfs/dbraw/zinc/10/83/49/581108349.db2.gz UFUOZRGSWLTROR-STQMWFEESA-N 2 2 271.405 0.290 20 0 CCADLP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)C[NH+]1CCCC1 ZINC000778953702 581171283 /nfs/dbraw/zinc/17/12/83/581171283.db2.gz QGGYDRDLEXZENA-MRXNPFEDSA-N 3 2 298.475 0.012 20 0 CCADLP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)C[NH+]1CCCC1 ZINC000778953702 581171284 /nfs/dbraw/zinc/17/12/84/581171284.db2.gz QGGYDRDLEXZENA-MRXNPFEDSA-N 3 2 298.475 0.012 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)NCC[NH+]1CCO[C@H](C)C1 ZINC000726254698 581233643 /nfs/dbraw/zinc/23/36/43/581233643.db2.gz GAPNKIDEAJRFBL-CYBMUJFWSA-N 2 2 286.420 0.347 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)NCC[NH+]1CCO[C@H](C)C1 ZINC000726254698 581233644 /nfs/dbraw/zinc/23/36/44/581233644.db2.gz GAPNKIDEAJRFBL-CYBMUJFWSA-N 2 2 286.420 0.347 20 0 CCADLP CC(C)[NH+](C)CCNC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000726254698 581233645 /nfs/dbraw/zinc/23/36/45/581233645.db2.gz GAPNKIDEAJRFBL-CYBMUJFWSA-N 2 2 286.420 0.347 20 0 CCADLP CC(C)[NH+](C)CCNC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000726254698 581233646 /nfs/dbraw/zinc/23/36/46/581233646.db2.gz GAPNKIDEAJRFBL-CYBMUJFWSA-N 2 2 286.420 0.347 20 0 CCADLP Cc1ccc(CCC[NH2+]CCS(C)(=O)=O)c[nH+]1 ZINC000792935480 581276686 /nfs/dbraw/zinc/27/66/86/581276686.db2.gz AYAADTFYROEWNH-UHFFFAOYSA-N 2 2 256.371 0.957 20 0 CCADLP CC[N@@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000727053649 581298763 /nfs/dbraw/zinc/29/87/63/581298763.db2.gz FOSTVFJBJQGLID-CQSZACIVSA-N 2 2 298.431 0.350 20 0 CCADLP CC[N@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000727053649 581298766 /nfs/dbraw/zinc/29/87/66/581298766.db2.gz FOSTVFJBJQGLID-CQSZACIVSA-N 2 2 298.431 0.350 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH+]2CCCC2)[C@@H](C)[C@H](C)O1 ZINC000782629342 581315948 /nfs/dbraw/zinc/31/59/48/581315948.db2.gz RRVNFNSPPUVYRW-ZOBORPQBSA-N 2 2 256.390 0.941 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+]2CCCC2)[C@@H](C)[C@H](C)O1 ZINC000782629342 581315950 /nfs/dbraw/zinc/31/59/50/581315950.db2.gz RRVNFNSPPUVYRW-ZOBORPQBSA-N 2 2 256.390 0.941 20 0 CCADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+](C)C[C@H]2CCOC2)C1 ZINC000783989882 581369663 /nfs/dbraw/zinc/36/96/63/581369663.db2.gz OLZKSWCREHBPAM-OLZOCXBDSA-N 2 2 292.383 0.662 20 0 CCADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+](C)C[C@H]2CCOC2)C1 ZINC000783989882 581369665 /nfs/dbraw/zinc/36/96/65/581369665.db2.gz OLZKSWCREHBPAM-OLZOCXBDSA-N 2 2 292.383 0.662 20 0 CCADLP C[NH+](C)CC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000785410055 581408290 /nfs/dbraw/zinc/40/82/90/581408290.db2.gz RWJKEDDETOQUDK-LLVKDONJSA-N 2 2 252.362 0.976 20 0 CCADLP CO[C@@H](C)C[N@H+](C)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000795745340 581421268 /nfs/dbraw/zinc/42/12/68/581421268.db2.gz BSZDYSFZPNBYOO-NWDGAFQWSA-N 2 2 280.372 0.660 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)CN1C[C@H](c2c[nH+]cn2C)CC1=O ZINC000795745340 581421269 /nfs/dbraw/zinc/42/12/69/581421269.db2.gz BSZDYSFZPNBYOO-NWDGAFQWSA-N 2 2 280.372 0.660 20 0 CCADLP O[C@H]1CCC[C@H]1[NH+]1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000796451110 581441067 /nfs/dbraw/zinc/44/10/67/581441067.db2.gz PTBBCXCRSOPTFF-OLZOCXBDSA-N 2 2 250.346 0.441 20 0 CCADLP O[C@H]1CCC[C@H]1[NH+]1CCN(Cc2c[nH+]c[nH]2)CC1 ZINC000796451110 581441069 /nfs/dbraw/zinc/44/10/69/581441069.db2.gz PTBBCXCRSOPTFF-OLZOCXBDSA-N 2 2 250.346 0.441 20 0 CCADLP NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000787335906 581468005 /nfs/dbraw/zinc/46/80/05/581468005.db2.gz ULENUVXAEQLUGB-RQJABVFESA-N 2 2 281.400 0.029 20 0 CCADLP NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000787335906 581468008 /nfs/dbraw/zinc/46/80/08/581468008.db2.gz ULENUVXAEQLUGB-RQJABVFESA-N 2 2 281.400 0.029 20 0 CCADLP CC1(C)OCC(CO)([NH2+]CCCn2cc[nH+]c2)CO1 ZINC000788001003 581484584 /nfs/dbraw/zinc/48/45/84/581484584.db2.gz XLISUNCPJGFANO-UHFFFAOYSA-N 2 2 269.345 0.377 20 0 CCADLP CON(C)C(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000788021315 581520050 /nfs/dbraw/zinc/52/00/50/581520050.db2.gz UKAVYVAQHPAUNC-ZDUSSCGKSA-N 2 2 285.388 0.050 20 0 CCADLP CON(C)C(=O)CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000788021315 581520052 /nfs/dbraw/zinc/52/00/52/581520052.db2.gz UKAVYVAQHPAUNC-ZDUSSCGKSA-N 2 2 285.388 0.050 20 0 CCADLP CC(C)c1nc(N(C)C)nc(NC[C@@H](O)C[NH+](C)C)[nH+]1 ZINC000767200100 581599868 /nfs/dbraw/zinc/59/98/68/581599868.db2.gz RXKYDYJIXXTAGS-SNVBAGLBSA-N 2 2 282.392 0.395 20 0 CCADLP CC(C)c1nc(NC[C@@H](O)C[NH+](C)C)nc(N(C)C)[nH+]1 ZINC000767200100 581599869 /nfs/dbraw/zinc/59/98/69/581599869.db2.gz RXKYDYJIXXTAGS-SNVBAGLBSA-N 2 2 282.392 0.395 20 0 CCADLP COC(=O)c1cn(C[N@H+](C)CCCn2cc[nH+]c2)nn1 ZINC000767754334 581629229 /nfs/dbraw/zinc/62/92/29/581629229.db2.gz IDDPVRPKIXIHCI-UHFFFAOYSA-N 2 2 278.316 0.241 20 0 CCADLP COC(=O)c1cn(C[N@@H+](C)CCCn2cc[nH+]c2)nn1 ZINC000767754334 581629232 /nfs/dbraw/zinc/62/92/32/581629232.db2.gz IDDPVRPKIXIHCI-UHFFFAOYSA-N 2 2 278.316 0.241 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1nnc2ccccn21 ZINC000756107774 581656644 /nfs/dbraw/zinc/65/66/44/581656644.db2.gz WSSNFRSOLRJCLL-VXGBXAGGSA-N 2 2 259.357 0.812 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1nnc2ccccn21 ZINC000756107774 581656646 /nfs/dbraw/zinc/65/66/46/581656646.db2.gz WSSNFRSOLRJCLL-VXGBXAGGSA-N 2 2 259.357 0.812 20 0 CCADLP CN1CC[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000756117547 581656692 /nfs/dbraw/zinc/65/66/92/581656692.db2.gz BWOGOMZFCBPKSU-CABCVRRESA-N 2 2 267.417 0.924 20 0 CCADLP COC(=O)C[C@]1([NH2+]CCn2cc[nH+]c2)CCCOC1 ZINC000770692595 581762399 /nfs/dbraw/zinc/76/23/99/581762399.db2.gz OSDPDPTUGBYCEF-CYBMUJFWSA-N 2 2 267.329 0.585 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000741812369 581763845 /nfs/dbraw/zinc/76/38/45/581763845.db2.gz ZEPOHDLCMSMMKA-CVEARBPZSA-N 2 2 297.443 0.097 20 0 CCADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CCNC1=O ZINC000759434453 581799139 /nfs/dbraw/zinc/79/91/39/581799139.db2.gz RFIFURKTJSDDJF-GFCCVEGCSA-N 2 2 271.324 0.588 20 0 CCADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CCNC1=O ZINC000759434453 581799141 /nfs/dbraw/zinc/79/91/41/581799141.db2.gz RFIFURKTJSDDJF-GFCCVEGCSA-N 2 2 271.324 0.588 20 0 CCADLP C[N@H+](CC(=O)OCCn1cc[nH+]c1)[C@H]1CCSC1 ZINC000772051294 581839860 /nfs/dbraw/zinc/83/98/60/581839860.db2.gz ZVIUNMHEOZGAAR-NSHDSACASA-N 2 2 269.370 0.864 20 0 CCADLP C[N@@H+](CC(=O)OCCn1cc[nH+]c1)[C@H]1CCSC1 ZINC000772051294 581839862 /nfs/dbraw/zinc/83/98/62/581839862.db2.gz ZVIUNMHEOZGAAR-NSHDSACASA-N 2 2 269.370 0.864 20 0 CCADLP C[C@@H]1C[NH+]=C(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)S1 ZINC000744606883 581846143 /nfs/dbraw/zinc/84/61/43/581846143.db2.gz SDFVFFMSKTZGDQ-VXGBXAGGSA-N 2 2 296.440 0.716 20 0 CCADLP C[C@@H]1C[NH+]=C(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)S1 ZINC000744606883 581846144 /nfs/dbraw/zinc/84/61/44/581846144.db2.gz SDFVFFMSKTZGDQ-VXGBXAGGSA-N 2 2 296.440 0.716 20 0 CCADLP OC[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC[C@H]1CO ZINC000773728736 581939502 /nfs/dbraw/zinc/93/95/02/581939502.db2.gz FPTFUFINXOVPEL-FICVDOATSA-N 2 2 286.416 0.041 20 0 CCADLP OC[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+]1CCCC[C@H]1CO ZINC000773728736 581939504 /nfs/dbraw/zinc/93/95/04/581939504.db2.gz FPTFUFINXOVPEL-FICVDOATSA-N 2 2 286.416 0.041 20 0 CCADLP OC[C@H]1CCCC[NH+]1C[C@H](O)C[N@@H+]1CCCC[C@H]1CO ZINC000773728736 581939506 /nfs/dbraw/zinc/93/95/06/581939506.db2.gz FPTFUFINXOVPEL-FICVDOATSA-N 2 2 286.416 0.041 20 0 CCADLP OC[C@H]1CCCC[NH+]1C[C@H](O)C[N@H+]1CCCC[C@H]1CO ZINC000773728736 581939509 /nfs/dbraw/zinc/93/95/09/581939509.db2.gz FPTFUFINXOVPEL-FICVDOATSA-N 2 2 286.416 0.041 20 0 CCADLP CCc1nn(C)c(Cl)c1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000762557379 581950934 /nfs/dbraw/zinc/95/09/34/581950934.db2.gz ZGFYUYYQSKKPCE-CYBMUJFWSA-N 2 2 286.807 0.792 20 0 CCADLP CCc1nn(C)c(Cl)c1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000762557379 581950937 /nfs/dbraw/zinc/95/09/37/581950937.db2.gz ZGFYUYYQSKKPCE-CYBMUJFWSA-N 2 2 286.807 0.792 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C2CCN(C=O)CC2)C1 ZINC000774109806 581959911 /nfs/dbraw/zinc/95/99/11/581959911.db2.gz HMFVZRVMRKACAE-HNNXBMFYSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C2CCN(C=O)CC2)C1 ZINC000774109806 581959914 /nfs/dbraw/zinc/95/99/14/581959914.db2.gz HMFVZRVMRKACAE-HNNXBMFYSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C2([NH+](C)C)CCC2)CCO1 ZINC000763031674 581978860 /nfs/dbraw/zinc/97/88/60/581978860.db2.gz MRPPIPUVDBNRDE-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2([NH+](C)C)CCC2)CCO1 ZINC000763031674 581978863 /nfs/dbraw/zinc/97/88/63/581978863.db2.gz MRPPIPUVDBNRDE-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP CON(C)C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000774705229 581990589 /nfs/dbraw/zinc/99/05/89/581990589.db2.gz VUOXJAVOAOKDJF-JSGCOSHPSA-N 2 2 281.400 0.955 20 0 CCADLP CON(C)C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000774705229 581990590 /nfs/dbraw/zinc/99/05/90/581990590.db2.gz VUOXJAVOAOKDJF-JSGCOSHPSA-N 2 2 281.400 0.955 20 0 CCADLP CON(C)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000774705229 581990591 /nfs/dbraw/zinc/99/05/91/581990591.db2.gz VUOXJAVOAOKDJF-JSGCOSHPSA-N 2 2 281.400 0.955 20 0 CCADLP CON(C)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000774705229 581990592 /nfs/dbraw/zinc/99/05/92/581990592.db2.gz VUOXJAVOAOKDJF-JSGCOSHPSA-N 2 2 281.400 0.955 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)N2CC[C@H](C[NH+](C)C)C2)CCO1 ZINC000776515450 582075320 /nfs/dbraw/zinc/07/53/20/582075320.db2.gz SUBCLZQNIAQFDS-ZIAGYGMSSA-N 2 2 298.431 0.300 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)N2CC[C@H](C[NH+](C)C)C2)CCO1 ZINC000776515450 582075323 /nfs/dbraw/zinc/07/53/23/582075323.db2.gz SUBCLZQNIAQFDS-ZIAGYGMSSA-N 2 2 298.431 0.300 20 0 CCADLP C[NH2+]CC[N@H+](CCC(=O)N1CCOCC1)C(C)C ZINC000903572242 616956966 /nfs/dbraw/zinc/95/69/66/616956966.db2.gz KOPKDBSQCNMYAR-UHFFFAOYSA-N 2 2 257.378 0.165 20 0 CCADLP C[NH2+]CC[N@@H+](CCC(=O)N1CCOCC1)C(C)C ZINC000903572242 616956969 /nfs/dbraw/zinc/95/69/69/616956969.db2.gz KOPKDBSQCNMYAR-UHFFFAOYSA-N 2 2 257.378 0.165 20 0 CCADLP C[C@@H]([NH3+])CN(C)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000861615615 617174529 /nfs/dbraw/zinc/17/45/29/617174529.db2.gz RWCJQEZFJYPDML-VXGBXAGGSA-N 2 2 277.372 0.649 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@H+](CCC3CC3)C[C@H]21 ZINC000963023610 649907986 /nfs/dbraw/zinc/90/79/86/649907986.db2.gz SPEMUUKTVDIPMH-NHAGDIPZSA-N 2 2 274.368 0.730 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@@H+](CCC3CC3)C[C@H]21 ZINC000963023610 649907989 /nfs/dbraw/zinc/90/79/89/649907989.db2.gz SPEMUUKTVDIPMH-NHAGDIPZSA-N 2 2 274.368 0.730 20 0 CCADLP C[C@@H](NC(=O)/C=C\C[NH+]1CCOCC1)C1=CC[N@H+](C)CC1 ZINC000867305973 617179891 /nfs/dbraw/zinc/17/98/91/617179891.db2.gz ADJSMWCKCHZMPJ-VQTKUKTRSA-N 2 2 293.411 0.641 20 0 CCADLP C[C@@H](NC(=O)/C=C\C[NH+]1CCOCC1)C1=CC[N@@H+](C)CC1 ZINC000867305973 617179892 /nfs/dbraw/zinc/17/98/92/617179892.db2.gz ADJSMWCKCHZMPJ-VQTKUKTRSA-N 2 2 293.411 0.641 20 0 CCADLP Fc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1-c1nn[nH]n1 ZINC000822766938 606964174 /nfs/dbraw/zinc/96/41/74/606964174.db2.gz QAFKRXPLPLZSDK-QWRGUYRKSA-N 2 2 288.330 0.657 20 0 CCADLP CSC1(CNC(=O)Cc2[nH]cc[nH+]2)CC[NH+](C)CC1 ZINC000854522879 617204440 /nfs/dbraw/zinc/20/44/40/617204440.db2.gz NNSJTSXXSXPNTN-UHFFFAOYSA-N 2 2 282.413 0.896 20 0 CCADLP COc1cc([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)on1 ZINC000924995177 617216888 /nfs/dbraw/zinc/21/68/88/617216888.db2.gz XTRNGQQYVAMEFN-VXGBXAGGSA-N 2 2 282.388 0.970 20 0 CCADLP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000884206009 614116582 /nfs/dbraw/zinc/11/65/82/614116582.db2.gz KMIZXGOSUFHYST-QWHCGFSZSA-N 2 2 285.432 0.833 20 0 CCADLP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000884206009 614116584 /nfs/dbraw/zinc/11/65/84/614116584.db2.gz KMIZXGOSUFHYST-QWHCGFSZSA-N 2 2 285.432 0.833 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC000932759293 614264170 /nfs/dbraw/zinc/26/41/70/614264170.db2.gz LDNNDCNEGVOJEZ-ZDUSSCGKSA-N 2 2 299.415 0.652 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC000932759293 614264172 /nfs/dbraw/zinc/26/41/72/614264172.db2.gz LDNNDCNEGVOJEZ-ZDUSSCGKSA-N 2 2 299.415 0.652 20 0 CCADLP CC(C)[N@H+](C[C@@H](O)C[NH+]1CCCC1)C[C@H]1CCC(=O)N1 ZINC000839673155 614296962 /nfs/dbraw/zinc/29/69/62/614296962.db2.gz UVWCMFAONBOWGV-KGLIPLIRSA-N 2 2 283.416 0.432 20 0 CCADLP CC(C)[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C[C@H]1CCC(=O)N1 ZINC000839673155 614296965 /nfs/dbraw/zinc/29/69/65/614296965.db2.gz UVWCMFAONBOWGV-KGLIPLIRSA-N 2 2 283.416 0.432 20 0 CCADLP C1CC[N@@H+]2CCC[C@H]([NH2+][C@H]3CCc4nnnn4CC3)[C@@H]2C1 ZINC000926605543 613224300 /nfs/dbraw/zinc/22/43/00/613224300.db2.gz DUXHVEXQLHTBGU-IHRRRGAJSA-N 2 2 290.415 0.985 20 0 CCADLP C1CC[N@H+]2CCC[C@H]([NH2+][C@H]3CCc4nnnn4CC3)[C@@H]2C1 ZINC000926605543 613224302 /nfs/dbraw/zinc/22/43/02/613224302.db2.gz DUXHVEXQLHTBGU-IHRRRGAJSA-N 2 2 290.415 0.985 20 0 CCADLP C1CC[N@@H+]2CCC[C@H]([NH2+][C@@H]3CCc4nnnn4CC3)[C@@H]2C1 ZINC000926605545 613224356 /nfs/dbraw/zinc/22/43/56/613224356.db2.gz DUXHVEXQLHTBGU-RDBSUJKOSA-N 2 2 290.415 0.985 20 0 CCADLP C1CC[N@H+]2CCC[C@H]([NH2+][C@@H]3CCc4nnnn4CC3)[C@@H]2C1 ZINC000926605545 613224358 /nfs/dbraw/zinc/22/43/58/613224358.db2.gz DUXHVEXQLHTBGU-RDBSUJKOSA-N 2 2 290.415 0.985 20 0 CCADLP C(C[NH2+][C@H]1C[NH2+]CCOC1)COC[C@H]1CCCO1 ZINC000925514558 613225096 /nfs/dbraw/zinc/22/50/96/613225096.db2.gz QWUXIVHZOZWBGM-QWHCGFSZSA-N 2 2 258.362 0.150 20 0 CCADLP C(C[NH2+][C@@H]1C[NH2+]CCOC1)COCC1CCOCC1 ZINC000925511136 613225318 /nfs/dbraw/zinc/22/53/18/613225318.db2.gz GXRVNTMTIQZRAP-CQSZACIVSA-N 2 2 272.389 0.398 20 0 CCADLP C1CC1[C@@H]([NH2+][C@@H]1COC[C@H]1C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000902520446 613230844 /nfs/dbraw/zinc/23/08/44/613230844.db2.gz OQTZUBXFRYSJJM-LJISPDSOSA-N 2 2 266.385 0.768 20 0 CCADLP C(C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)O[C@H]1CCOC1 ZINC000930320225 613231451 /nfs/dbraw/zinc/23/14/51/613231451.db2.gz TVJKYWFPMXBDEB-CVEARBPZSA-N 2 2 298.427 0.979 20 0 CCADLP C(C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)O[C@H]1CCOC1 ZINC000930320225 613231453 /nfs/dbraw/zinc/23/14/53/613231453.db2.gz TVJKYWFPMXBDEB-CVEARBPZSA-N 2 2 298.427 0.979 20 0 CCADLP C/C(=C/C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000908435818 613234742 /nfs/dbraw/zinc/23/47/42/613234742.db2.gz JZZSMCDLVAHODS-NFRRXOSXSA-N 2 2 295.427 0.816 20 0 CCADLP C/C(=C/C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000908435818 613234745 /nfs/dbraw/zinc/23/47/45/613234745.db2.gz JZZSMCDLVAHODS-NFRRXOSXSA-N 2 2 295.427 0.816 20 0 CCADLP C/C(=C/C(=O)NCC1=CC[N@H+](C)CC1)C[NH+]1CCOCC1 ZINC000901329719 613236196 /nfs/dbraw/zinc/23/61/96/613236196.db2.gz HKXSPLALKQOGQM-KAMYIIQDSA-N 2 2 293.411 0.643 20 0 CCADLP C/C(=C/C(=O)NCC1=CC[N@@H+](C)CC1)C[NH+]1CCOCC1 ZINC000901329719 613236197 /nfs/dbraw/zinc/23/61/97/613236197.db2.gz HKXSPLALKQOGQM-KAMYIIQDSA-N 2 2 293.411 0.643 20 0 CCADLP C/C(=C\C(=O)NCC(C)(C)[NH+](C)C)C[NH+]1CCOCC1 ZINC000899965131 613255733 /nfs/dbraw/zinc/25/57/33/613255733.db2.gz UZPDEDKMLIVNKZ-JLHYYAGUSA-N 2 2 283.416 0.721 20 0 CCADLP C=C/C=C\CC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000877959539 613392122 /nfs/dbraw/zinc/39/21/22/613392122.db2.gz ZDVMKUZMFGUELQ-WAYWQWQTSA-N 2 2 251.374 0.825 20 0 CCADLP CC(C)NC(=O)NCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879579548 613925333 /nfs/dbraw/zinc/92/53/33/613925333.db2.gz NSPCKKPUZIOZSN-OLZOCXBDSA-N 2 2 268.405 0.720 20 0 CCADLP CC(C)NC(=O)NCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879579548 613925335 /nfs/dbraw/zinc/92/53/35/613925335.db2.gz NSPCKKPUZIOZSN-OLZOCXBDSA-N 2 2 268.405 0.720 20 0 CCADLP CC(C)NC(=O)NCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879579548 613925336 /nfs/dbraw/zinc/92/53/36/613925336.db2.gz NSPCKKPUZIOZSN-OLZOCXBDSA-N 2 2 268.405 0.720 20 0 CCADLP CC(C)NC(=O)NCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879579548 613925338 /nfs/dbraw/zinc/92/53/38/613925338.db2.gz NSPCKKPUZIOZSN-OLZOCXBDSA-N 2 2 268.405 0.720 20 0 CCADLP CC(C)[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CCO1 ZINC000979276043 613964913 /nfs/dbraw/zinc/96/49/13/613964913.db2.gz IKWJNPHSVDXRHP-STQMWFEESA-N 2 2 294.399 0.956 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCO)CC1 ZINC000949045737 614091358 /nfs/dbraw/zinc/09/13/58/614091358.db2.gz FBUPPQJSWBLUQF-OAHLLOKOSA-N 2 2 297.443 0.633 20 0 CCADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CCCO)CC1 ZINC000949045737 614091359 /nfs/dbraw/zinc/09/13/59/614091359.db2.gz FBUPPQJSWBLUQF-OAHLLOKOSA-N 2 2 297.443 0.633 20 0 CCADLP CC(C)([NH3+])CC[NH2+]Cc1cn(Cc2cccnc2)nn1 ZINC000903939224 614161034 /nfs/dbraw/zinc/16/10/34/614161034.db2.gz WRGGWXGRLIZPIA-UHFFFAOYSA-N 2 2 274.372 0.938 20 0 CCADLP CC(C)[C@H](C(=O)N1CC[N@H+](C)[C@@H](CO)C1)[NH+]1CCCCC1 ZINC000913550986 614188325 /nfs/dbraw/zinc/18/83/25/614188325.db2.gz GJJMVIFXRSJYAA-HUUCEWRRSA-N 2 2 297.443 0.632 20 0 CCADLP CC(C)[C@H](C(=O)N1CC[N@@H+](C)[C@@H](CO)C1)[NH+]1CCCCC1 ZINC000913550986 614188327 /nfs/dbraw/zinc/18/83/27/614188327.db2.gz GJJMVIFXRSJYAA-HUUCEWRRSA-N 2 2 297.443 0.632 20 0 CCADLP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000869781334 614188961 /nfs/dbraw/zinc/18/89/61/614188961.db2.gz BOOBHUNMPAKOLS-LBPRGKRZSA-N 2 2 280.372 0.235 20 0 CCADLP CC(C)(O)C[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000869781334 614188963 /nfs/dbraw/zinc/18/89/63/614188963.db2.gz BOOBHUNMPAKOLS-LBPRGKRZSA-N 2 2 280.372 0.235 20 0 CCADLP CC(C)[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)[NH+]1CCOCC1 ZINC000848983845 614208312 /nfs/dbraw/zinc/20/83/12/614208312.db2.gz MLGVWZZPXHQCIQ-KBPBESRZSA-N 2 2 298.431 0.636 20 0 CCADLP CC(=O)OC1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000851864647 614215683 /nfs/dbraw/zinc/21/56/83/614215683.db2.gz GWUHHKZMUACEMY-ZDUSSCGKSA-N 2 2 272.389 0.715 20 0 CCADLP CC(=O)OC1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000851864647 614215685 /nfs/dbraw/zinc/21/56/85/614215685.db2.gz GWUHHKZMUACEMY-ZDUSSCGKSA-N 2 2 272.389 0.715 20 0 CCADLP CC(C)[C@H](F)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855415365 614222939 /nfs/dbraw/zinc/22/29/39/614222939.db2.gz WIWFWYSFASZJKS-LBPRGKRZSA-N 2 2 261.385 0.980 20 0 CCADLP CC(C)[C@H](F)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855415365 614222942 /nfs/dbraw/zinc/22/29/42/614222942.db2.gz WIWFWYSFASZJKS-LBPRGKRZSA-N 2 2 261.385 0.980 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900409222 614370506 /nfs/dbraw/zinc/37/05/06/614370506.db2.gz FKMUEDDYZFPRFX-NSHDSACASA-N 2 2 250.346 0.799 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900409222 614370507 /nfs/dbraw/zinc/37/05/07/614370507.db2.gz FKMUEDDYZFPRFX-NSHDSACASA-N 2 2 250.346 0.799 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000909440390 614383011 /nfs/dbraw/zinc/38/30/11/614383011.db2.gz UFYIGKUYTZCBDO-LBPRGKRZSA-N 2 2 250.346 0.893 20 0 CCADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000909440390 614383012 /nfs/dbraw/zinc/38/30/12/614383012.db2.gz UFYIGKUYTZCBDO-LBPRGKRZSA-N 2 2 250.346 0.893 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000877432527 614447452 /nfs/dbraw/zinc/44/74/52/614447452.db2.gz FIUXXVIJQNCFMR-JSGCOSHPSA-N 2 2 271.405 0.731 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000877432527 614447455 /nfs/dbraw/zinc/44/74/55/614447455.db2.gz FIUXXVIJQNCFMR-JSGCOSHPSA-N 2 2 271.405 0.731 20 0 CCADLP CCCC[C@@H](C[NH3+])NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876543185 614473794 /nfs/dbraw/zinc/47/37/94/614473794.db2.gz HNUSKZHNKRCVCT-AGLBCWCQSA-N 2 2 269.389 0.509 20 0 CCADLP CC1(C)CC(=O)NCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000931206873 614510365 /nfs/dbraw/zinc/51/03/65/614510365.db2.gz ODUWDJPOSZILCQ-UHFFFAOYSA-N 2 2 250.346 0.874 20 0 CCADLP CC1(C)CC(=O)NCC[N@H+]1CCCn1cc[nH+]c1 ZINC000931206873 614510366 /nfs/dbraw/zinc/51/03/66/614510366.db2.gz ODUWDJPOSZILCQ-UHFFFAOYSA-N 2 2 250.346 0.874 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913448162 614515405 /nfs/dbraw/zinc/51/54/05/614515405.db2.gz RQHMPAJUYQAXCS-GFCCVEGCSA-N 2 2 265.361 0.224 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913448162 614515409 /nfs/dbraw/zinc/51/54/09/614515409.db2.gz RQHMPAJUYQAXCS-GFCCVEGCSA-N 2 2 265.361 0.224 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913448163 614516097 /nfs/dbraw/zinc/51/60/97/614516097.db2.gz RQHMPAJUYQAXCS-LBPRGKRZSA-N 2 2 265.361 0.224 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC000913448163 614516100 /nfs/dbraw/zinc/51/61/00/614516100.db2.gz RQHMPAJUYQAXCS-LBPRGKRZSA-N 2 2 265.361 0.224 20 0 CCADLP CCC[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972426262 614530434 /nfs/dbraw/zinc/53/04/34/614530434.db2.gz LUQLHSLTNPSMCY-GFCCVEGCSA-N 2 2 250.346 0.895 20 0 CCADLP CCC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972426262 614530438 /nfs/dbraw/zinc/53/04/38/614530438.db2.gz LUQLHSLTNPSMCY-GFCCVEGCSA-N 2 2 250.346 0.895 20 0 CCADLP CCCn1cc(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)nn1 ZINC000865449623 614530946 /nfs/dbraw/zinc/53/09/46/614530946.db2.gz CNOLYJXFKFYBHW-CYBMUJFWSA-N 2 2 280.420 0.414 20 0 CCADLP CCC[N@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@@H]1CC[NH2+]C1 ZINC000903716438 614584357 /nfs/dbraw/zinc/58/43/57/614584357.db2.gz NCLZTEIERMUUCZ-ILXRZTDVSA-N 3 2 267.417 0.829 20 0 CCADLP CCC[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@@H]1CC[NH2+]C1 ZINC000903716438 614584361 /nfs/dbraw/zinc/58/43/61/614584361.db2.gz NCLZTEIERMUUCZ-ILXRZTDVSA-N 3 2 267.417 0.829 20 0 CCADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1C[NH+]([C@H](C)COC)C1 ZINC000949780343 614619661 /nfs/dbraw/zinc/61/96/61/614619661.db2.gz JVYOFCQLRUSGOJ-OCCSQVGLSA-N 2 2 283.416 0.648 20 0 CCADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1C[NH+]([C@H](C)COC)C1 ZINC000949780343 614619664 /nfs/dbraw/zinc/61/96/64/614619664.db2.gz JVYOFCQLRUSGOJ-OCCSQVGLSA-N 2 2 283.416 0.648 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC000905258490 614683677 /nfs/dbraw/zinc/68/36/77/614683677.db2.gz WVMRMTUQNCXHQD-ZNMIVQPWSA-N 2 2 286.416 0.353 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC000905258490 614683678 /nfs/dbraw/zinc/68/36/78/614683678.db2.gz WVMRMTUQNCXHQD-ZNMIVQPWSA-N 2 2 286.416 0.353 20 0 CCADLP CCC[NH+]1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000957332598 614685931 /nfs/dbraw/zinc/68/59/31/614685931.db2.gz WSGSEKATLFXQSD-UHFFFAOYSA-N 2 2 250.346 0.517 20 0 CCADLP CCC[NH+]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000948750373 614687740 /nfs/dbraw/zinc/68/77/40/614687740.db2.gz FTSZNBXRYRFCEU-AWEZNQCLSA-N 2 2 293.415 0.368 20 0 CCADLP CC1(C)C[C@@H](C[N@H+](CC[NH3+])C[C@@H](O)CO)C(C)(C)O1 ZINC000883435231 614740591 /nfs/dbraw/zinc/74/05/91/614740591.db2.gz MYOVYBXUQBZFDX-NWDGAFQWSA-N 2 2 274.405 0.194 20 0 CCADLP CC1(C)C[C@@H](C[N@@H+](CC[NH3+])C[C@@H](O)CO)C(C)(C)O1 ZINC000883435231 614740594 /nfs/dbraw/zinc/74/05/94/614740594.db2.gz MYOVYBXUQBZFDX-NWDGAFQWSA-N 2 2 274.405 0.194 20 0 CCADLP CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000961825736 614830502 /nfs/dbraw/zinc/83/05/02/614830502.db2.gz NCNQYGRDYJXEDV-NTASLKFISA-N 2 2 288.395 0.980 20 0 CCADLP CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000961825736 614830503 /nfs/dbraw/zinc/83/05/03/614830503.db2.gz NCNQYGRDYJXEDV-NTASLKFISA-N 2 2 288.395 0.980 20 0 CCADLP CC1(C)[C@@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1[NH+]1CCOCC1 ZINC000911841598 614850772 /nfs/dbraw/zinc/85/07/72/614850772.db2.gz HCNLLCIYVPWPCJ-KBPBESRZSA-N 2 2 295.427 0.698 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000934431776 614867679 /nfs/dbraw/zinc/86/76/79/614867679.db2.gz FSFDGEQDJDWOTI-IXDOHACOSA-N 2 2 292.423 0.834 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000934431776 614867680 /nfs/dbraw/zinc/86/76/80/614867680.db2.gz FSFDGEQDJDWOTI-IXDOHACOSA-N 2 2 292.423 0.834 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000934431776 614867681 /nfs/dbraw/zinc/86/76/81/614867681.db2.gz FSFDGEQDJDWOTI-IXDOHACOSA-N 2 2 292.423 0.834 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000934431776 614867682 /nfs/dbraw/zinc/86/76/82/614867682.db2.gz FSFDGEQDJDWOTI-IXDOHACOSA-N 2 2 292.423 0.834 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@]1(CC(=O)OC)CCCOC1 ZINC000846857479 614868402 /nfs/dbraw/zinc/86/84/02/614868402.db2.gz JKLKFNPCUNGINK-OCCSQVGLSA-N 2 2 288.388 0.001 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@]1(CC(=O)OC)CCCOC1 ZINC000846857479 614868404 /nfs/dbraw/zinc/86/84/04/614868404.db2.gz JKLKFNPCUNGINK-OCCSQVGLSA-N 2 2 288.388 0.001 20 0 CCADLP CC1([NH+]2CCC2)CC[NH+](CCN2CCOC2=O)CC1 ZINC000880472341 614912604 /nfs/dbraw/zinc/91/26/04/614912604.db2.gz KLPIUZDXESRHRH-UHFFFAOYSA-N 2 2 267.373 0.999 20 0 CCADLP CCN(CC)C(=O)C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000817891204 614978038 /nfs/dbraw/zinc/97/80/38/614978038.db2.gz HTRYPCGSWMSRDL-JSGCOSHPSA-N 2 2 269.389 0.211 20 0 CCADLP CC[N@H+](CC[NH3+])C[C@@H](O)COc1ccc(F)cc1 ZINC000923400487 615047103 /nfs/dbraw/zinc/04/71/03/615047103.db2.gz BKFBSRPPBTUCFN-GFCCVEGCSA-N 2 2 256.321 0.846 20 0 CCADLP CC[N@@H+](CC[NH3+])C[C@@H](O)COc1ccc(F)cc1 ZINC000923400487 615047104 /nfs/dbraw/zinc/04/71/04/615047104.db2.gz BKFBSRPPBTUCFN-GFCCVEGCSA-N 2 2 256.321 0.846 20 0 CCADLP CC[NH2+]CC1CC(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000962008296 615081283 /nfs/dbraw/zinc/08/12/83/615081283.db2.gz HIJHZNTVSARLSM-OTTFEQOBSA-N 2 2 276.384 0.950 20 0 CCADLP CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CCO1 ZINC000979438888 615109531 /nfs/dbraw/zinc/10/95/31/615109531.db2.gz CVKLHECXVCTOAH-RYUDHWBXSA-N 2 2 294.399 0.913 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898883400 615112177 /nfs/dbraw/zinc/11/21/77/615112177.db2.gz HPVCDKGXNOGZLM-VXGBXAGGSA-N 2 2 280.372 0.444 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898883400 615112178 /nfs/dbraw/zinc/11/21/78/615112178.db2.gz HPVCDKGXNOGZLM-VXGBXAGGSA-N 2 2 280.372 0.444 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)[C@H]2CC[C@H]2OC)CC1 ZINC000934123644 615152221 /nfs/dbraw/zinc/15/22/21/615152221.db2.gz MEOGFQKFBVCPCV-MELADBBJSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)[C@H]2CC[C@H]2OC)CC1 ZINC000934123644 615152223 /nfs/dbraw/zinc/15/22/23/615152223.db2.gz MEOGFQKFBVCPCV-MELADBBJSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](CF)C2)CC1 ZINC000880290989 615152471 /nfs/dbraw/zinc/15/24/71/615152471.db2.gz AIVZDUNSGJRNTM-QWHCGFSZSA-N 2 2 271.380 0.830 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](CF)C2)CC1 ZINC000880290989 615152473 /nfs/dbraw/zinc/15/24/73/615152473.db2.gz AIVZDUNSGJRNTM-QWHCGFSZSA-N 2 2 271.380 0.830 20 0 CCADLP CC[NH+]1CCN(CC(=O)NCC(C)(C)n2cc[nH+]c2)CC1 ZINC000898904314 615155200 /nfs/dbraw/zinc/15/52/00/615155200.db2.gz SHJRMUBAHQCGPG-UHFFFAOYSA-N 2 2 293.415 0.372 20 0 CCADLP CC[NH+]1CCN(CCC[NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925544981 615158072 /nfs/dbraw/zinc/15/80/72/615158072.db2.gz GDRUSLZNBWEVFF-OAHLLOKOSA-N 3 2 280.460 0.888 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH+](C)CCF)C2)C1 ZINC000980448011 615169903 /nfs/dbraw/zinc/16/99/03/615169903.db2.gz ITKAEZMQJIUDPU-QWHCGFSZSA-N 2 2 287.379 0.209 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH+](C)CCF)C2)C1 ZINC000980448011 615169904 /nfs/dbraw/zinc/16/99/04/615169904.db2.gz ITKAEZMQJIUDPU-QWHCGFSZSA-N 2 2 287.379 0.209 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]([N@H+](C)CCF)C2)C1 ZINC000980448011 615169905 /nfs/dbraw/zinc/16/99/05/615169905.db2.gz ITKAEZMQJIUDPU-QWHCGFSZSA-N 2 2 287.379 0.209 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]([N@@H+](C)CCF)C2)C1 ZINC000980448011 615169906 /nfs/dbraw/zinc/16/99/06/615169906.db2.gz ITKAEZMQJIUDPU-QWHCGFSZSA-N 2 2 287.379 0.209 20 0 CCADLP CCOC(=O)[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000932638703 615292577 /nfs/dbraw/zinc/29/25/77/615292577.db2.gz JUOCRRFGRMMETK-YPMHNXCESA-N 2 2 270.373 0.327 20 0 CCADLP CCOC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000932638703 615292579 /nfs/dbraw/zinc/29/25/79/615292579.db2.gz JUOCRRFGRMMETK-YPMHNXCESA-N 2 2 270.373 0.327 20 0 CCADLP CCOC(=O)[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000932638703 615292581 /nfs/dbraw/zinc/29/25/81/615292581.db2.gz JUOCRRFGRMMETK-YPMHNXCESA-N 2 2 270.373 0.327 20 0 CCADLP CCOC(=O)[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000932638703 615292583 /nfs/dbraw/zinc/29/25/83/615292583.db2.gz JUOCRRFGRMMETK-YPMHNXCESA-N 2 2 270.373 0.327 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000883056723 615316504 /nfs/dbraw/zinc/31/65/04/615316504.db2.gz TVCFIUFBUXFFQN-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000883056723 615316506 /nfs/dbraw/zinc/31/65/06/615316506.db2.gz TVCFIUFBUXFFQN-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)NCC[NH+](C)CCC[NH+](C)C ZINC000890058188 615317616 /nfs/dbraw/zinc/31/76/16/615317616.db2.gz WAPZGXKRVSQYDT-AWEZNQCLSA-N 3 2 299.463 0.263 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)NCC[NH+](C)CCC[NH+](C)C ZINC000890058188 615317618 /nfs/dbraw/zinc/31/76/18/615317618.db2.gz WAPZGXKRVSQYDT-AWEZNQCLSA-N 3 2 299.463 0.263 20 0 CCADLP CC[NH+]1CC[C@H]1CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000890058188 615317619 /nfs/dbraw/zinc/31/76/19/615317619.db2.gz WAPZGXKRVSQYDT-AWEZNQCLSA-N 3 2 299.463 0.263 20 0 CCADLP CC[NH+]1CC[C@H]1CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000890058188 615317621 /nfs/dbraw/zinc/31/76/21/615317621.db2.gz WAPZGXKRVSQYDT-AWEZNQCLSA-N 3 2 299.463 0.263 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@@H]1CC[NH2+][C@H]1CC ZINC000863543362 615326741 /nfs/dbraw/zinc/32/67/41/615326741.db2.gz MZCVFZMWXSBOEB-WHOHXGKFSA-N 2 2 255.362 0.010 20 0 CCADLP CCN1C[C@@H](C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)OC1=O ZINC000852762175 615344038 /nfs/dbraw/zinc/34/40/38/615344038.db2.gz IGSXACSCXXTIGV-ZIAGYGMSSA-N 2 2 299.415 0.870 20 0 CCADLP CCN1C[C@@H](C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)OC1=O ZINC000852762175 615344041 /nfs/dbraw/zinc/34/40/41/615344041.db2.gz IGSXACSCXXTIGV-ZIAGYGMSSA-N 2 2 299.415 0.870 20 0 CCADLP CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](C[C@H](O)C[NH+](C)CC)C[C@@H]21 ZINC000932057980 615391032 /nfs/dbraw/zinc/39/10/32/615391032.db2.gz ZJTFQWGRXBJGIQ-YIYPIFLZSA-N 2 2 284.400 0.430 20 0 CCADLP CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](C[C@H](O)C[NH+](C)CC)C[C@@H]21 ZINC000932057980 615391033 /nfs/dbraw/zinc/39/10/33/615391033.db2.gz ZJTFQWGRXBJGIQ-YIYPIFLZSA-N 2 2 284.400 0.430 20 0 CCADLP CCOC(=O)[C@@H]1[C@@H]2CC[NH+](C[C@H](O)C[N@H+](C)CC)C[C@@H]21 ZINC000932057980 615391036 /nfs/dbraw/zinc/39/10/36/615391036.db2.gz ZJTFQWGRXBJGIQ-YIYPIFLZSA-N 2 2 284.400 0.430 20 0 CCADLP CCOC(=O)[C@@H]1[C@@H]2CC[NH+](C[C@H](O)C[N@@H+](C)CC)C[C@@H]21 ZINC000932057980 615391039 /nfs/dbraw/zinc/39/10/39/615391039.db2.gz ZJTFQWGRXBJGIQ-YIYPIFLZSA-N 2 2 284.400 0.430 20 0 CCADLP CC[C@@H](C[NH+]1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1)OC ZINC000957473080 615476070 /nfs/dbraw/zinc/47/60/70/615476070.db2.gz YXFRYRXDWAWCRK-ZDUSSCGKSA-N 2 2 294.399 0.830 20 0 CCADLP CCO[C@H]1CC[N@@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000932976475 615490206 /nfs/dbraw/zinc/49/02/06/615490206.db2.gz JIJWELVBBZYART-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CCO[C@H]1CC[N@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000932976475 615490207 /nfs/dbraw/zinc/49/02/07/615490207.db2.gz JIJWELVBBZYART-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@H](C(=O)NC1CC[NH2+]CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911628957 615565152 /nfs/dbraw/zinc/56/51/52/615565152.db2.gz QVKJASMSBNWVPD-ZIAGYGMSSA-N 2 2 283.416 0.744 20 0 CCADLP CC[C@H](C(=O)NC1CC[NH2+]CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000911628957 615565153 /nfs/dbraw/zinc/56/51/53/615565153.db2.gz QVKJASMSBNWVPD-ZIAGYGMSSA-N 2 2 283.416 0.744 20 0 CCADLP CC[C@@](C)(O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932576181 615590490 /nfs/dbraw/zinc/59/04/90/615590490.db2.gz LAEJICMLCGECMP-GOEBONIOSA-N 2 2 297.443 0.774 20 0 CCADLP CC[C@@](C)(O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932576181 615590491 /nfs/dbraw/zinc/59/04/91/615590491.db2.gz LAEJICMLCGECMP-GOEBONIOSA-N 2 2 297.443 0.774 20 0 CCADLP CC[C@H](C(=O)N1CC[NH+](C[C@H](C)OC)CC1)[NH+](C)C ZINC000957356334 615601032 /nfs/dbraw/zinc/60/10/32/615601032.db2.gz NCCMGUDVZBGRQS-QWHCGFSZSA-N 2 2 271.405 0.506 20 0 CCADLP CC[C@H](CN1CCOCC1)[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000925825467 615720021 /nfs/dbraw/zinc/72/00/21/615720021.db2.gz DTQWEPZHJCLJHZ-RRFJBIMHSA-N 2 2 285.432 0.454 20 0 CCADLP C[NH+](C)C(C)(C)CNC(=O)CNc1cccc[nH+]1 ZINC000899963020 615838833 /nfs/dbraw/zinc/83/88/33/615838833.db2.gz ASDKFOWPJULNLK-UHFFFAOYSA-N 2 2 250.346 0.950 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC(C)([NH+](C)C)CC1 ZINC000913393703 615845809 /nfs/dbraw/zinc/84/58/09/615845809.db2.gz XZJZUKIZVIQIEH-UHFFFAOYSA-N 2 2 264.373 0.905 20 0 CCADLP C[NH+](C)C1(CNC(=O)NCCn2cc[nH+]c2)CC1 ZINC000913899429 615848956 /nfs/dbraw/zinc/84/89/56/615848956.db2.gz BBWZTXCJRJVKIL-UHFFFAOYSA-N 2 2 251.334 0.277 20 0 CCADLP C[NH+](C)C1(CS(=O)(=O)NCc2cc(N)cc[nH+]2)CC1 ZINC000886894373 615853447 /nfs/dbraw/zinc/85/34/47/615853447.db2.gz LJHWDYSNGUVTJJ-UHFFFAOYSA-N 2 2 284.385 0.177 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876961796 615879224 /nfs/dbraw/zinc/87/92/24/615879224.db2.gz XFBISOYNZYGPRH-QWHCGFSZSA-N 3 2 284.448 0.360 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876961796 615879225 /nfs/dbraw/zinc/87/92/25/615879225.db2.gz XFBISOYNZYGPRH-QWHCGFSZSA-N 3 2 284.448 0.360 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccnc1F ZINC000855414524 615879783 /nfs/dbraw/zinc/87/97/83/615879783.db2.gz GBFANUJJOJNXQG-UHFFFAOYSA-N 2 2 282.363 0.834 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccnc1F ZINC000855414524 615879785 /nfs/dbraw/zinc/87/97/85/615879785.db2.gz GBFANUJJOJNXQG-UHFFFAOYSA-N 2 2 282.363 0.834 20 0 CCADLP C[NH+](C)CCC[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000821584816 615883826 /nfs/dbraw/zinc/88/38/26/615883826.db2.gz UCJDYFGNGUTSHD-UHFFFAOYSA-N 2 2 266.374 0.970 20 0 CCADLP C[NH+](C)CCOCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935261402 615906283 /nfs/dbraw/zinc/90/62/83/615906283.db2.gz ZJUTXCVOUTYDCY-UHFFFAOYSA-N 2 2 276.340 0.871 20 0 CCADLP CC[C@H](C(=O)NCC1CC[NH2+]CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000911671977 615918015 /nfs/dbraw/zinc/91/80/15/615918015.db2.gz HHGNMUILURVDQI-LSDHHAIUSA-N 2 2 297.443 0.992 20 0 CCADLP CC[C@H](C(=O)NCC1CC[NH2+]CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000911671977 615918018 /nfs/dbraw/zinc/91/80/18/615918018.db2.gz HHGNMUILURVDQI-LSDHHAIUSA-N 2 2 297.443 0.992 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCO[C@@H]2CCOC2)C1 ZINC000930902621 615937396 /nfs/dbraw/zinc/93/73/96/615937396.db2.gz DBRJMKGSMUIIMK-KGLIPLIRSA-N 2 2 272.389 0.180 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCO[C@@H]2CCOC2)C1 ZINC000930902621 615937397 /nfs/dbraw/zinc/93/73/97/615937397.db2.gz DBRJMKGSMUIIMK-KGLIPLIRSA-N 2 2 272.389 0.180 20 0 CCADLP C[NH+](C)Cc1csc(CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC000927763999 615959244 /nfs/dbraw/zinc/95/92/44/615959244.db2.gz RMPPVDSGEFGEIT-SNVBAGLBSA-N 2 2 282.413 0.773 20 0 CCADLP C[NH+](C)Cc1csc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC000927763999 615959245 /nfs/dbraw/zinc/95/92/45/615959245.db2.gz RMPPVDSGEFGEIT-SNVBAGLBSA-N 2 2 282.413 0.773 20 0 CCADLP C[NH+](C)[C@@H](CNS(=O)(=O)C1C[NH2+]C1)c1ccsc1 ZINC000923581548 615975118 /nfs/dbraw/zinc/97/51/18/615975118.db2.gz JVTTTWXBPMHRJT-NSHDSACASA-N 2 2 289.426 0.242 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H]1CO)c1ccccc1 ZINC000934017411 615989882 /nfs/dbraw/zinc/98/98/82/615989882.db2.gz QSTOGLHIXNZTAZ-HUUCEWRRSA-N 2 2 291.395 0.472 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@@H]1CO)c1ccccc1 ZINC000934017411 615989884 /nfs/dbraw/zinc/98/98/84/615989884.db2.gz QSTOGLHIXNZTAZ-HUUCEWRRSA-N 2 2 291.395 0.472 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC000931278320 615998848 /nfs/dbraw/zinc/99/88/48/615998848.db2.gz WAWKFQTZBQIHBC-RQJABVFESA-N 2 2 263.385 0.632 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC000931278320 615998851 /nfs/dbraw/zinc/99/88/51/615998851.db2.gz WAWKFQTZBQIHBC-RQJABVFESA-N 2 2 263.385 0.632 20 0 CCADLP CN(C)c1cc[nH+]cc1C[NH2+]CCN1CCNC1=O ZINC000886323721 616030248 /nfs/dbraw/zinc/03/02/48/616030248.db2.gz HPJMRVTVYNHDIQ-UHFFFAOYSA-N 2 2 263.345 0.262 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C1CCC1 ZINC000899970896 616044125 /nfs/dbraw/zinc/04/41/25/616044125.db2.gz YNYLJDBGZDCXCB-OAHLLOKOSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)C1CCC1 ZINC000899970896 616044126 /nfs/dbraw/zinc/04/41/26/616044126.db2.gz YNYLJDBGZDCXCB-OAHLLOKOSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@H+](CC(=O)NC[C@H]1C[NH+]2CCN1CC2)CC(C)(C)C ZINC000821135110 616047660 /nfs/dbraw/zinc/04/76/60/616047660.db2.gz OFJNGQWUOPDDLU-ZDUSSCGKSA-N 2 2 282.432 0.080 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+](C[C@H]2COCCO2)CC1 ZINC000929656831 616075986 /nfs/dbraw/zinc/07/59/86/616075986.db2.gz IHNPLUSUWDASCY-AWEZNQCLSA-N 2 2 272.389 0.180 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+](C[C@H]2COCCO2)CC1 ZINC000929656831 616075987 /nfs/dbraw/zinc/07/59/87/616075987.db2.gz IHNPLUSUWDASCY-AWEZNQCLSA-N 2 2 272.389 0.180 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+](C)CCS(C)(=O)=O ZINC000846796857 616076422 /nfs/dbraw/zinc/07/64/22/616076422.db2.gz MTEVFANFGDWPQS-UHFFFAOYSA-N 2 2 259.375 0.329 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+](C)CCS(C)(=O)=O ZINC000846796857 616076423 /nfs/dbraw/zinc/07/64/23/616076423.db2.gz MTEVFANFGDWPQS-UHFFFAOYSA-N 2 2 259.375 0.329 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876894408 616076648 /nfs/dbraw/zinc/07/66/48/616076648.db2.gz OPTVLSTVNXNVMS-NWDGAFQWSA-N 2 2 268.336 0.679 20 0 CCADLP C[N@H+](CCF)[C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000971811658 616078630 /nfs/dbraw/zinc/07/86/30/616078630.db2.gz SPLGTIBCMSZUNK-QWHCGFSZSA-N 2 2 294.374 0.948 20 0 CCADLP C[N@@H+](CCF)[C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000971811658 616078631 /nfs/dbraw/zinc/07/86/31/616078631.db2.gz SPLGTIBCMSZUNK-QWHCGFSZSA-N 2 2 294.374 0.948 20 0 CCADLP CN(CCN1CC[NH2+]CC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000911773061 616088477 /nfs/dbraw/zinc/08/84/77/616088477.db2.gz AHLOBONFCXAXHR-UHFFFAOYSA-N 2 2 287.367 0.540 20 0 CCADLP C[N@H+](CCO)CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000899730422 616106068 /nfs/dbraw/zinc/10/60/68/616106068.db2.gz XZWUOCCOQFXPOJ-UHFFFAOYSA-N 2 2 288.351 0.526 20 0 CCADLP C[N@@H+](CCO)CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000899730422 616106070 /nfs/dbraw/zinc/10/60/70/616106070.db2.gz XZWUOCCOQFXPOJ-UHFFFAOYSA-N 2 2 288.351 0.526 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCO)C1 ZINC000972375641 616110486 /nfs/dbraw/zinc/11/04/86/616110486.db2.gz JYOMSRNQFOQQFN-JHJVBQTASA-N 2 2 292.383 0.049 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCO)C1 ZINC000972375641 616110487 /nfs/dbraw/zinc/11/04/87/616110487.db2.gz JYOMSRNQFOQQFN-JHJVBQTASA-N 2 2 292.383 0.049 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1COC2(CCCC2)O1)C1CC1 ZINC000819206190 616149918 /nfs/dbraw/zinc/14/99/18/616149918.db2.gz WSOYAJHAKBLBMO-ZIAGYGMSSA-N 2 2 284.400 0.717 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1COC2(CCCC2)O1)C1CC1 ZINC000819206190 616149919 /nfs/dbraw/zinc/14/99/19/616149919.db2.gz WSOYAJHAKBLBMO-ZIAGYGMSSA-N 2 2 284.400 0.717 20 0 CCADLP C[N@H+](C[C@H]1CCOC1)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972618561 616161294 /nfs/dbraw/zinc/16/12/94/616161294.db2.gz KBVGXXHKIOCBQK-CHWSQXEVSA-N 2 2 292.383 0.521 20 0 CCADLP C[N@@H+](C[C@H]1CCOC1)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972618561 616161295 /nfs/dbraw/zinc/16/12/95/616161295.db2.gz KBVGXXHKIOCBQK-CHWSQXEVSA-N 2 2 292.383 0.521 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCCCC[NH3+])C2)CC1 ZINC000829484843 616172520 /nfs/dbraw/zinc/17/25/20/616172520.db2.gz ZFZAVJFQGWLLLI-AWEZNQCLSA-N 3 2 296.459 0.790 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCCCC[NH3+])C2)CC1 ZINC000829484843 616172521 /nfs/dbraw/zinc/17/25/21/616172521.db2.gz ZFZAVJFQGWLLLI-AWEZNQCLSA-N 3 2 296.459 0.790 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NOC1CC[NH+](C)CC1 ZINC000854358225 616176137 /nfs/dbraw/zinc/17/61/37/616176137.db2.gz UBGLFVUUWBKJCQ-VXGBXAGGSA-N 2 2 278.356 0.666 20 0 CCADLP C[NH+]1CCC2(CCN2S(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000907857849 616176979 /nfs/dbraw/zinc/17/69/79/616176979.db2.gz QRVNLNNHMTZBJT-UHFFFAOYSA-N 2 2 298.412 0.383 20 0 CCADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000898896196 616181023 /nfs/dbraw/zinc/18/10/23/616181023.db2.gz SKUPCFFXJDZNIR-OLZOCXBDSA-N 2 2 294.399 0.834 20 0 CCADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000898896196 616181024 /nfs/dbraw/zinc/18/10/24/616181024.db2.gz SKUPCFFXJDZNIR-OLZOCXBDSA-N 2 2 294.399 0.834 20 0 CCADLP CN(C(=O)N[C@H]1CCn2cc[nH+]c2C1)[C@H]1CCC[N@H+](C)C1 ZINC000894311063 616205948 /nfs/dbraw/zinc/20/59/48/616205948.db2.gz YGGZWMJPDYDREC-STQMWFEESA-N 2 2 291.399 0.934 20 0 CCADLP CN(C(=O)N[C@H]1CCn2cc[nH+]c2C1)[C@H]1CCC[N@@H+](C)C1 ZINC000894311063 616205949 /nfs/dbraw/zinc/20/59/49/616205949.db2.gz YGGZWMJPDYDREC-STQMWFEESA-N 2 2 291.399 0.934 20 0 CCADLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000452621994 616208906 /nfs/dbraw/zinc/20/89/06/616208906.db2.gz LUGDCBVADCVAMH-AVGNSLFASA-N 2 2 267.373 0.012 20 0 CCADLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000452621994 616208907 /nfs/dbraw/zinc/20/89/07/616208907.db2.gz LUGDCBVADCVAMH-AVGNSLFASA-N 2 2 267.373 0.012 20 0 CCADLP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+]2CCO[C@H]1C2 ZINC000452621994 616208908 /nfs/dbraw/zinc/20/89/08/616208908.db2.gz LUGDCBVADCVAMH-AVGNSLFASA-N 2 2 267.373 0.012 20 0 CCADLP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+]2CCO[C@H]1C2 ZINC000452621994 616208909 /nfs/dbraw/zinc/20/89/09/616208909.db2.gz LUGDCBVADCVAMH-AVGNSLFASA-N 2 2 267.373 0.012 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC000967925432 616209977 /nfs/dbraw/zinc/20/99/77/616209977.db2.gz POLLPMMCJDXAGO-MNOVXSKESA-N 2 2 295.412 0.323 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC000967925432 616209978 /nfs/dbraw/zinc/20/99/78/616209978.db2.gz POLLPMMCJDXAGO-MNOVXSKESA-N 2 2 295.412 0.323 20 0 CCADLP C[NH+](C)C1(C)CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000931354357 616222191 /nfs/dbraw/zinc/22/21/91/616222191.db2.gz KDPYATJWSYLVRG-UHFFFAOYSA-N 3 2 296.459 0.567 20 0 CCADLP CN1CCN(C(=O)CC[NH+]2CCC(C)([NH+](C)C)CC2)CC1 ZINC000931354357 616222192 /nfs/dbraw/zinc/22/21/92/616222192.db2.gz KDPYATJWSYLVRG-UHFFFAOYSA-N 2 2 296.459 0.567 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccnn2C2CCC2)CC1 ZINC000921610916 616223576 /nfs/dbraw/zinc/22/35/76/616223576.db2.gz ZUTDXBQMNKQAIJ-UHFFFAOYSA-N 2 2 291.399 0.472 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCC[C@H]2CCCO)CC1 ZINC000924841529 616223770 /nfs/dbraw/zinc/22/37/70/616223770.db2.gz JWQAJKRCLYWUJC-GJZGRUSLSA-N 2 2 297.443 0.681 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2c[nH+]c[nH]2)CCC1(C)C ZINC000864062662 616225004 /nfs/dbraw/zinc/22/50/04/616225004.db2.gz KGYUMBJWPHYZRE-UHFFFAOYSA-N 2 2 250.346 0.895 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2c[nH+]c[nH]2)CCC1(C)C ZINC000864062662 616225005 /nfs/dbraw/zinc/22/50/05/616225005.db2.gz KGYUMBJWPHYZRE-UHFFFAOYSA-N 2 2 250.346 0.895 20 0 CCADLP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2c[nH]cn2)CC1 ZINC000894484426 616240374 /nfs/dbraw/zinc/24/03/74/616240374.db2.gz OAXXERFGNKVMQJ-UHFFFAOYSA-N 2 2 265.405 0.915 20 0 CCADLP C[N@H+](CC1CC1)C[C@@H]1CCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000960528156 616257885 /nfs/dbraw/zinc/25/78/85/616257885.db2.gz PUKLEQMNUFDUJB-GJZGRUSLSA-N 2 2 295.427 0.650 20 0 CCADLP C[N@@H+](CC1CC1)C[C@@H]1CCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000960528156 616257886 /nfs/dbraw/zinc/25/78/86/616257886.db2.gz PUKLEQMNUFDUJB-GJZGRUSLSA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+](CC1CC1)C[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000960528156 616257887 /nfs/dbraw/zinc/25/78/87/616257887.db2.gz PUKLEQMNUFDUJB-GJZGRUSLSA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+](CC1CC1)C[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000960528156 616257888 /nfs/dbraw/zinc/25/78/88/616257888.db2.gz PUKLEQMNUFDUJB-GJZGRUSLSA-N 2 2 295.427 0.650 20 0 CCADLP C[N@@H+]1CC[C@@H](CC(=O)NCCNc2cccc[nH+]2)C1 ZINC000895608314 616269195 /nfs/dbraw/zinc/26/91/95/616269195.db2.gz JQZWPDWKDKVUOL-LBPRGKRZSA-N 2 2 262.357 0.952 20 0 CCADLP C[N@H+]1CC[C@@H](CC(=O)NCCNc2cccc[nH+]2)C1 ZINC000895608314 616269196 /nfs/dbraw/zinc/26/91/96/616269196.db2.gz JQZWPDWKDKVUOL-LBPRGKRZSA-N 2 2 262.357 0.952 20 0 CCADLP COC(=O)/C(C)=C/C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000905531886 616291490 /nfs/dbraw/zinc/29/14/90/616291490.db2.gz NWJSFZCCMYTTCJ-JXDHDYMSSA-N 2 2 256.346 0.152 20 0 CCADLP COC(=O)/C=C(\C)C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933734165 616314542 /nfs/dbraw/zinc/31/45/42/616314542.db2.gz PKWKLLGLSJVKNN-PGMIRAASSA-N 2 2 252.358 0.989 20 0 CCADLP COC(=O)/C=C(\C)C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933734165 616314549 /nfs/dbraw/zinc/31/45/49/616314549.db2.gz PKWKLLGLSJVKNN-PGMIRAASSA-N 2 2 252.358 0.989 20 0 CCADLP COC(=O)/C=C(\C)C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933734165 616314553 /nfs/dbraw/zinc/31/45/53/616314553.db2.gz PKWKLLGLSJVKNN-PGMIRAASSA-N 2 2 252.358 0.989 20 0 CCADLP COC(=O)/C=C(\C)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933734165 616314558 /nfs/dbraw/zinc/31/45/58/616314558.db2.gz PKWKLLGLSJVKNN-PGMIRAASSA-N 2 2 252.358 0.989 20 0 CCADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000908084609 616320552 /nfs/dbraw/zinc/32/05/52/616320552.db2.gz GKFRNMKGLKWTNT-WFASDCNBSA-N 2 2 292.383 0.291 20 0 CCADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000908084609 616320558 /nfs/dbraw/zinc/32/05/58/616320558.db2.gz GKFRNMKGLKWTNT-WFASDCNBSA-N 2 2 292.383 0.291 20 0 CCADLP COCC[NH+]1CCC([NH2+][C@H](C)c2cnnn2C)CC1 ZINC000924785707 616327542 /nfs/dbraw/zinc/32/75/42/616327542.db2.gz FFOPTFKBELIHDI-LLVKDONJSA-N 2 2 267.377 0.577 20 0 CCADLP C[N@@H+]1CC[C@@H]2C[NH+](CCn3ccccc3=O)CC[C@@H]21 ZINC000879574247 616333905 /nfs/dbraw/zinc/33/39/05/616333905.db2.gz YCQHBIAUHJESCW-KGLIPLIRSA-N 2 2 261.369 0.874 20 0 CCADLP C[N@H+]1CC[C@@H]2C[NH+](CCn3ccccc3=O)CC[C@@H]21 ZINC000879574247 616333910 /nfs/dbraw/zinc/33/39/10/616333910.db2.gz YCQHBIAUHJESCW-KGLIPLIRSA-N 2 2 261.369 0.874 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@H+](CCn3ccccc3=O)CC[C@@H]21 ZINC000879574247 616333913 /nfs/dbraw/zinc/33/39/13/616333913.db2.gz YCQHBIAUHJESCW-KGLIPLIRSA-N 2 2 261.369 0.874 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@@H+](CCn3ccccc3=O)CC[C@@H]21 ZINC000879574247 616333916 /nfs/dbraw/zinc/33/39/16/616333916.db2.gz YCQHBIAUHJESCW-KGLIPLIRSA-N 2 2 261.369 0.874 20 0 CCADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2C[C@@H]3C[C@@H]3C2=O)C1 ZINC000902193562 616343456 /nfs/dbraw/zinc/34/34/56/616343456.db2.gz BVURVAPANXTXEI-ZOBORPQBSA-N 2 2 263.385 0.838 20 0 CCADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2C[C@@H]3C[C@@H]3C2=O)C1 ZINC000902193562 616343462 /nfs/dbraw/zinc/34/34/62/616343462.db2.gz BVURVAPANXTXEI-ZOBORPQBSA-N 2 2 263.385 0.838 20 0 CCADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2CN2C[C@@H]3C[C@@H]3C2=O)C1 ZINC000902193562 616343465 /nfs/dbraw/zinc/34/34/65/616343465.db2.gz BVURVAPANXTXEI-ZOBORPQBSA-N 2 2 263.385 0.838 20 0 CCADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2CN2C[C@@H]3C[C@@H]3C2=O)C1 ZINC000902193562 616343470 /nfs/dbraw/zinc/34/34/70/616343470.db2.gz BVURVAPANXTXEI-ZOBORPQBSA-N 2 2 263.385 0.838 20 0 CCADLP COCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000968533241 616379508 /nfs/dbraw/zinc/37/95/08/616379508.db2.gz HVEADAXTIPJOMZ-OCCSQVGLSA-N 2 2 294.399 0.436 20 0 CCADLP COCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000968533241 616379512 /nfs/dbraw/zinc/37/95/12/616379512.db2.gz HVEADAXTIPJOMZ-OCCSQVGLSA-N 2 2 294.399 0.436 20 0 CCADLP C[N@@H+]1C[C@]2(C)C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@]2(C)C1 ZINC000931312998 616396950 /nfs/dbraw/zinc/39/69/50/616396950.db2.gz XLZURSXINIPSKZ-HONMWMINSA-N 2 2 265.357 0.065 20 0 CCADLP C[N@H+]1C[C@]2(C)C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@]2(C)C1 ZINC000931312998 616396955 /nfs/dbraw/zinc/39/69/55/616396955.db2.gz XLZURSXINIPSKZ-HONMWMINSA-N 2 2 265.357 0.065 20 0 CCADLP C[NH+]1C[C@]2(C)C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@]2(C)C1 ZINC000931312998 616396959 /nfs/dbraw/zinc/39/69/59/616396959.db2.gz XLZURSXINIPSKZ-HONMWMINSA-N 2 2 265.357 0.065 20 0 CCADLP C[NH+]1C[C@]2(C)C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@]2(C)C1 ZINC000931312998 616396966 /nfs/dbraw/zinc/39/69/66/616396966.db2.gz XLZURSXINIPSKZ-HONMWMINSA-N 2 2 265.357 0.065 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941247340 616416185 /nfs/dbraw/zinc/41/61/85/616416185.db2.gz IXBUVJXOFGTRFV-ZDUSSCGKSA-N 2 2 294.399 0.746 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000941247340 616416186 /nfs/dbraw/zinc/41/61/86/616416186.db2.gz IXBUVJXOFGTRFV-ZDUSSCGKSA-N 2 2 294.399 0.746 20 0 CCADLP COCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000977642577 616438244 /nfs/dbraw/zinc/43/82/44/616438244.db2.gz GVXSETFEGZTGSX-GFCCVEGCSA-N 2 2 280.372 0.356 20 0 CCADLP COCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000977642577 616438247 /nfs/dbraw/zinc/43/82/47/616438247.db2.gz GVXSETFEGZTGSX-GFCCVEGCSA-N 2 2 280.372 0.356 20 0 CCADLP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H]3CN(C4CC4)C(=O)O3)C2)C1 ZINC000844331139 616459292 /nfs/dbraw/zinc/45/92/92/616459292.db2.gz HGEUHDNEMRCAEA-HIFRSBDPSA-N 2 2 279.384 0.997 20 0 CCADLP C[N@H+]1CC[C@]2(CC[NH+](C[C@@H]3CN(C4CC4)C(=O)O3)C2)C1 ZINC000844331139 616459295 /nfs/dbraw/zinc/45/92/95/616459295.db2.gz HGEUHDNEMRCAEA-HIFRSBDPSA-N 2 2 279.384 0.997 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H]3CN(C4CC4)C(=O)O3)C2)C1 ZINC000844331139 616459299 /nfs/dbraw/zinc/45/92/99/616459299.db2.gz HGEUHDNEMRCAEA-HIFRSBDPSA-N 2 2 279.384 0.997 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H]3CN(C4CC4)C(=O)O3)C2)C1 ZINC000844331139 616459302 /nfs/dbraw/zinc/45/93/02/616459302.db2.gz HGEUHDNEMRCAEA-HIFRSBDPSA-N 2 2 279.384 0.997 20 0 CCADLP COC1(OC)CC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000924757747 616483946 /nfs/dbraw/zinc/48/39/46/616483946.db2.gz QQYJZGNSWCPGNW-STQMWFEESA-N 2 2 272.389 0.574 20 0 CCADLP C[NH+]1C[C@]2(C)C[NH+]([C@H]3CCC(=O)NC3=O)C[C@@]2(C)C1 ZINC000931313001 616514572 /nfs/dbraw/zinc/51/45/72/616514572.db2.gz XLZURSXINIPSKZ-ZLKJLUDKSA-N 2 2 265.357 0.065 20 0 CCADLP COC(=O)[C@@H]1[C@H](C[NH2+][C@H]2CCn3cc[nH+]c3C2)C1(F)F ZINC000894492586 616516604 /nfs/dbraw/zinc/51/66/04/616516604.db2.gz CUAFUNSTJZOVMZ-QXEWZRGKSA-N 2 2 285.294 0.842 20 0 CCADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000892616586 616519178 /nfs/dbraw/zinc/51/91/78/616519178.db2.gz WWRFONGCILCXKQ-TZMCWYRMSA-N 2 2 274.368 0.916 20 0 CCADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000892616586 616519181 /nfs/dbraw/zinc/51/91/81/616519181.db2.gz WWRFONGCILCXKQ-TZMCWYRMSA-N 2 2 274.368 0.916 20 0 CCADLP COC(=O)[C@H]([NH2+]CCCc1c[nH+]cn1C)C1CCOCC1 ZINC000880342446 616634926 /nfs/dbraw/zinc/63/49/26/616634926.db2.gz YRNSOWQKDFYJKR-CQSZACIVSA-N 2 2 295.383 0.911 20 0 CCADLP COC(=O)N(C)CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925716897 616795088 /nfs/dbraw/zinc/79/50/88/616795088.db2.gz RVUDVJSTUPOQOH-LLVKDONJSA-N 2 2 255.362 0.949 20 0 CCADLP COC(=O)N1CC([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000858151153 616808263 /nfs/dbraw/zinc/80/82/63/616808263.db2.gz VXEXYBGPOAVAFU-SNVBAGLBSA-N 2 2 255.362 0.899 20 0 CCADLP COCCC[N@H+](C)CC[NH2+][C@@H](C)C[C@H]1CCC(=O)N1 ZINC000925140786 616876170 /nfs/dbraw/zinc/87/61/70/616876170.db2.gz AIQZGXBDBRTTQD-QWHCGFSZSA-N 2 2 271.405 0.602 20 0 CCADLP COCCC[N@@H+](C)CC[NH2+][C@@H](C)C[C@H]1CCC(=O)N1 ZINC000925140786 616876172 /nfs/dbraw/zinc/87/61/72/616876172.db2.gz AIQZGXBDBRTTQD-QWHCGFSZSA-N 2 2 271.405 0.602 20 0 CCADLP COC[C@@H]([NH2+]CCn1cc[nH+]c1)[C@@H]1CCCOC1 ZINC000883165976 616900691 /nfs/dbraw/zinc/90/06/91/616900691.db2.gz QAUKANGTIQDPHQ-CHWSQXEVSA-N 2 2 253.346 0.914 20 0 CCADLP COCCN(C)C(=[NH2+])NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000871603090 616946632 /nfs/dbraw/zinc/94/66/32/616946632.db2.gz FCHXAXISCMSRDB-CQSZACIVSA-N 2 2 299.463 0.361 20 0 CCADLP C[NH2+]CCOCC[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925719216 616968786 /nfs/dbraw/zinc/96/87/86/616968786.db2.gz MKLPGBMGSRQIET-JSGCOSHPSA-N 3 2 251.374 0.901 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H](O)COC[C@@H]1CCCO1 ZINC000923295544 616983696 /nfs/dbraw/zinc/98/36/96/616983696.db2.gz YLSUZOPZXBZFJX-IHRRRGAJSA-N 2 2 272.389 0.227 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H](O)COC[C@@H]1CCCO1 ZINC000923295544 616983697 /nfs/dbraw/zinc/98/36/97/616983697.db2.gz YLSUZOPZXBZFJX-IHRRRGAJSA-N 2 2 272.389 0.227 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000851680105 616990497 /nfs/dbraw/zinc/99/04/97/616990497.db2.gz GIBAMVZKIGHQQS-RYUDHWBXSA-N 2 2 279.388 0.917 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+]1C[C@H](O)COC1CCOCC1 ZINC000923295592 616999858 /nfs/dbraw/zinc/99/98/58/616999858.db2.gz ZFAYKKZAZKKUJU-OLZOCXBDSA-N 2 2 272.389 0.227 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+]1C[C@H](O)COC1CCOCC1 ZINC000923295592 616999865 /nfs/dbraw/zinc/99/98/65/616999865.db2.gz ZFAYKKZAZKKUJU-OLZOCXBDSA-N 2 2 272.389 0.227 20 0 CCADLP CON(C)C(=O)CC[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000819243938 617019474 /nfs/dbraw/zinc/01/94/74/617019474.db2.gz DYGOAAQATHSLSZ-JTQLQIEISA-N 2 2 252.318 0.197 20 0 CCADLP COC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC000962147964 617072294 /nfs/dbraw/zinc/07/22/94/617072294.db2.gz KWKPPXGARGXXMX-KZWBYHQPSA-N 2 2 278.356 0.034 20 0 CCADLP COC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC000962147964 617072296 /nfs/dbraw/zinc/07/22/96/617072296.db2.gz KWKPPXGARGXXMX-KZWBYHQPSA-N 2 2 278.356 0.034 20 0 CCADLP CO[C@H](CC[NH2+][C@H]1C[NH2+]CCOC1)C(F)(F)F ZINC000925644154 617082545 /nfs/dbraw/zinc/08/25/45/617082545.db2.gz INKPYZXAJSHEHC-DTWKUNHWSA-N 2 2 256.268 0.532 20 0 CCADLP CON1CC[C@H]([N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)C1=O ZINC000903445933 617098179 /nfs/dbraw/zinc/09/81/79/617098179.db2.gz OGZIRXVTLSMPEL-AVGNSLFASA-N 2 2 267.373 0.613 20 0 CCADLP CON1CC[C@H]([N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)C1=O ZINC000903445933 617098180 /nfs/dbraw/zinc/09/81/80/617098180.db2.gz OGZIRXVTLSMPEL-AVGNSLFASA-N 2 2 267.373 0.613 20 0 CCADLP COc1c(C)c[nH+]c(CNC(=O)C[C@@H]2C[NH2+]CCO2)c1C ZINC000827976804 617145553 /nfs/dbraw/zinc/14/55/53/617145553.db2.gz UNIYCPDXYOAURZ-GFCCVEGCSA-N 2 2 293.367 0.702 20 0 CCADLP CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]12 ZINC001026387482 625423423 /nfs/dbraw/zinc/42/34/23/625423423.db2.gz BESJNRFWQMRXAB-GRYCIOLGSA-N 2 2 262.357 0.799 20 0 CCADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000925662232 625482504 /nfs/dbraw/zinc/48/25/04/625482504.db2.gz HDPAUAXPVZLPBL-ZIAGYGMSSA-N 3 2 268.449 0.743 20 0 CCADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000925662232 625482520 /nfs/dbraw/zinc/48/25/20/625482520.db2.gz HDPAUAXPVZLPBL-ZIAGYGMSSA-N 3 2 268.449 0.743 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@@H]([NH2+]CC2CCC2)C1 ZINC001022888853 622834641 /nfs/dbraw/zinc/83/46/41/622834641.db2.gz SRVOCGFATZIDTP-TXEJJXNPSA-N 2 2 262.357 0.989 20 0 CCADLP CC(C)[NH2+]Cc1cn(CC[NH+]2CCOCC2)nn1 ZINC000052377828 622916356 /nfs/dbraw/zinc/91/63/56/622916356.db2.gz KIZBCNBDWIVZDF-UHFFFAOYSA-N 2 2 253.350 0.108 20 0 CCADLP [NH3+][C@@H](CC1CC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000312773502 625612809 /nfs/dbraw/zinc/61/28/09/625612809.db2.gz NFNKVMCGVDFYHW-ZDUSSCGKSA-N 2 2 274.368 0.858 20 0 CCADLP Cc1cc(N)nc(N2CC[NH+](C[C@@H]3CCOC3)CC2)[nH+]1 ZINC000892837101 623850730 /nfs/dbraw/zinc/85/07/30/623850730.db2.gz WPAIVVHNQKACJA-LBPRGKRZSA-N 2 2 277.372 0.526 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001020633340 624555246 /nfs/dbraw/zinc/55/52/46/624555246.db2.gz GTXHRAVNFCEQON-IJLUTSLNSA-N 2 2 278.356 0.226 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccon2)C1 ZINC001020927269 624626021 /nfs/dbraw/zinc/62/60/21/624626021.db2.gz KCUUYWLCQQVGQP-HAQNSBGRSA-N 2 2 289.339 0.388 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]([NH2+]CCF)C1 ZINC000970227094 624658829 /nfs/dbraw/zinc/65/88/29/624658829.db2.gz FWCDNWONJRNSSM-WDEREUQCSA-N 2 2 268.336 0.748 20 0 CCADLP Cc1cccnc1C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000970858230 624771576 /nfs/dbraw/zinc/77/15/76/624771576.db2.gz SLTUXGJEBMAUBV-CQSZACIVSA-N 2 2 299.378 0.977 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000891349812 624821824 /nfs/dbraw/zinc/82/18/24/624821824.db2.gz KDVCVCGIFUFZOK-MGPQQGTHSA-N 2 2 298.431 0.524 20 0 CCADLP Cc1cc(N)nc(NCC(C)(C)[NH+]2CCOCC2)[nH+]1 ZINC000891491141 624879077 /nfs/dbraw/zinc/87/90/77/624879077.db2.gz LKJWEWVNHOXFEC-UHFFFAOYSA-N 2 2 265.361 0.890 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N1C[C@H]([NH3+])C[C@@H]1C)[NH+]1CCOCC1 ZINC000891517967 624881312 /nfs/dbraw/zinc/88/13/12/624881312.db2.gz OGXDYYWBCCSETR-WUHRBBMRSA-N 2 2 284.404 0.227 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000933543519 624888224 /nfs/dbraw/zinc/88/82/24/624888224.db2.gz HIEHMLDPECZYKZ-AWEZNQCLSA-N 2 2 275.356 0.999 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000933543519 624888225 /nfs/dbraw/zinc/88/82/25/624888225.db2.gz HIEHMLDPECZYKZ-AWEZNQCLSA-N 2 2 275.356 0.999 20 0 CCADLP C[C@@H](NC(=O)NCc1cc(N)cc[nH+]1)[C@@H]1C[N@H+](C)CCO1 ZINC000891698207 624907620 /nfs/dbraw/zinc/90/76/20/624907620.db2.gz NAVRSMONYOPVJW-MFKMUULPSA-N 2 2 293.371 0.182 20 0 CCADLP C[C@@H](NC(=O)NCc1cc(N)cc[nH+]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000891698207 624907621 /nfs/dbraw/zinc/90/76/21/624907621.db2.gz NAVRSMONYOPVJW-MFKMUULPSA-N 2 2 293.371 0.182 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001022311699 624921577 /nfs/dbraw/zinc/92/15/77/624921577.db2.gz WEMRNZSDPHKCIV-ZDEQEGDKSA-N 2 2 292.383 0.063 20 0 CCADLP O=C([C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]2)C1)N1CCOCC1 ZINC000903429912 634559197 /nfs/dbraw/zinc/55/91/97/634559197.db2.gz KXGVETHAHDKBLZ-UONOGXRCSA-N 2 2 281.400 0.309 20 0 CCADLP O=C([C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]2)C1)N1CCOCC1 ZINC000903429912 634559207 /nfs/dbraw/zinc/55/92/07/634559207.db2.gz KXGVETHAHDKBLZ-UONOGXRCSA-N 2 2 281.400 0.309 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CCc2ccns2)C1 ZINC000903448238 634571116 /nfs/dbraw/zinc/57/11/16/634571116.db2.gz ALNJFNZRWFLKTD-GFCCVEGCSA-N 2 2 294.424 0.582 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CCc2ccns2)C1 ZINC000903448238 634571129 /nfs/dbraw/zinc/57/11/29/634571129.db2.gz ALNJFNZRWFLKTD-GFCCVEGCSA-N 2 2 294.424 0.582 20 0 CCADLP Cn1cc(CN2CC[NH+](C[C@H]3CCCC[NH2+]C3)CC2)cn1 ZINC000903742294 634638824 /nfs/dbraw/zinc/63/88/24/634638824.db2.gz WMBPOHZUERZNKW-HNNXBMFYSA-N 2 2 291.443 0.927 20 0 CCADLP C[C@@H]1CC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)[C@H](C[NH3+])C1 ZINC000903766360 634643969 /nfs/dbraw/zinc/64/39/69/634643969.db2.gz PPNMOFYXICMFGG-QPSCCSFWSA-N 3 2 267.417 0.814 20 0 CCADLP C[C@@H]1CC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)[C@H](C[NH3+])C1 ZINC000903766360 634643973 /nfs/dbraw/zinc/64/39/73/634643973.db2.gz PPNMOFYXICMFGG-QPSCCSFWSA-N 3 2 267.417 0.814 20 0 CCADLP Cn1cc(C[N@@H+]2CC[NH2+]CCC23CCOCC3)cn1 ZINC000903818059 634654573 /nfs/dbraw/zinc/65/45/73/634654573.db2.gz VKJVDCKGIJDOHP-UHFFFAOYSA-N 2 2 264.373 0.765 20 0 CCADLP Cn1cc(C[N@H+]2CC[NH2+]CCC23CCOCC3)cn1 ZINC000903818059 634654579 /nfs/dbraw/zinc/65/45/79/634654579.db2.gz VKJVDCKGIJDOHP-UHFFFAOYSA-N 2 2 264.373 0.765 20 0 CCADLP Cn1nccc1[C@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000903823373 634659105 /nfs/dbraw/zinc/65/91/05/634659105.db2.gz FUDOZBSSOZGMPO-TZMCWYRMSA-N 2 2 292.383 0.172 20 0 CCADLP Cn1nccc1[C@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000903823373 634659108 /nfs/dbraw/zinc/65/91/08/634659108.db2.gz FUDOZBSSOZGMPO-TZMCWYRMSA-N 2 2 292.383 0.172 20 0 CCADLP c1csc(C[C@H]2CC[N@H+](C[C@H]3C[NH2+]CCO3)C2)n1 ZINC000903833468 634662900 /nfs/dbraw/zinc/66/29/00/634662900.db2.gz XBPRRDXRDNJRNY-VXGBXAGGSA-N 2 2 267.398 0.996 20 0 CCADLP c1csc(C[C@H]2CC[N@@H+](C[C@H]3C[NH2+]CCO3)C2)n1 ZINC000903833468 634662904 /nfs/dbraw/zinc/66/29/04/634662904.db2.gz XBPRRDXRDNJRNY-VXGBXAGGSA-N 2 2 267.398 0.996 20 0 CCADLP CC(C)COC[C@@H](O)C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903870323 634671923 /nfs/dbraw/zinc/67/19/23/634671923.db2.gz MWIGIDAPSBJVHV-UONOGXRCSA-N 2 2 256.390 0.848 20 0 CCADLP CC(C)COC[C@@H](O)C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903870323 634671928 /nfs/dbraw/zinc/67/19/28/634671928.db2.gz MWIGIDAPSBJVHV-UONOGXRCSA-N 2 2 256.390 0.848 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCO[C@H](CCF)C2)cnn1C ZINC000903934195 634692411 /nfs/dbraw/zinc/69/24/11/634692411.db2.gz DHOGRQJRUOHSOA-UKRRQHHQSA-N 2 2 298.406 0.906 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCO[C@H](CCF)C2)cnn1C ZINC000903934195 634692413 /nfs/dbraw/zinc/69/24/13/634692413.db2.gz DHOGRQJRUOHSOA-UKRRQHHQSA-N 2 2 298.406 0.906 20 0 CCADLP C[C@H]1[C@@H](NC(=O)NCCn2cc[nH+]c2)CC[N@@H+]1C ZINC000905150310 634809711 /nfs/dbraw/zinc/80/97/11/634809711.db2.gz WTAZSNPHZFCCOH-QWRGUYRKSA-N 2 2 251.334 0.275 20 0 CCADLP C[C@H]1[C@@H](NC(=O)NCCn2cc[nH+]c2)CC[N@H+]1C ZINC000905150310 634809715 /nfs/dbraw/zinc/80/97/15/634809715.db2.gz WTAZSNPHZFCCOH-QWRGUYRKSA-N 2 2 251.334 0.275 20 0 CCADLP O[C@H](C[NH2+][C@H]1CCn2cc[nH+]c2C1)CC1(O)CCCC1 ZINC000905218484 634824347 /nfs/dbraw/zinc/82/43/47/634824347.db2.gz NTSZFHJMTYHGQQ-STQMWFEESA-N 2 2 279.384 0.844 20 0 CCADLP C[C@@H](CC(=O)N1CCC[C@H]([N@H+](C)CCO)C1)n1cc[nH+]c1 ZINC001027597480 630795095 /nfs/dbraw/zinc/79/50/95/630795095.db2.gz HKNMMOJETLVYOW-KBPBESRZSA-N 2 2 294.399 0.749 20 0 CCADLP C[C@@H](CC(=O)N1CCC[C@H]([N@@H+](C)CCO)C1)n1cc[nH+]c1 ZINC001027597480 630795100 /nfs/dbraw/zinc/79/51/00/630795100.db2.gz HKNMMOJETLVYOW-KBPBESRZSA-N 2 2 294.399 0.749 20 0 CCADLP [NH3+]C1CCN(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925815807 631300009 /nfs/dbraw/zinc/30/00/09/631300009.db2.gz AGDDHZGSSYAOJZ-AWEZNQCLSA-N 3 2 266.433 0.674 20 0 CCADLP Cc1cnc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)o1 ZINC000967924412 650005385 /nfs/dbraw/zinc/00/53/85/650005385.db2.gz HRQKJHVMGRNXRR-CHWSQXEVSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1cnc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)o1 ZINC000967924412 650005387 /nfs/dbraw/zinc/00/53/87/650005387.db2.gz HRQKJHVMGRNXRR-CHWSQXEVSA-N 2 2 292.383 0.768 20 0 CCADLP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC[NH+](CCF)CC1 ZINC000981953455 631346358 /nfs/dbraw/zinc/34/63/58/631346358.db2.gz NVFBSPMBZROFAQ-ZDUSSCGKSA-N 2 2 271.380 0.975 20 0 CCADLP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[NH+](CCF)CC1 ZINC000981953455 631346363 /nfs/dbraw/zinc/34/63/63/631346363.db2.gz NVFBSPMBZROFAQ-ZDUSSCGKSA-N 2 2 271.380 0.975 20 0 CCADLP C[C@H]1CCC[NH+]1CC(=O)N1CCC[N@H+](CCF)CC1 ZINC000981953455 631346372 /nfs/dbraw/zinc/34/63/72/631346372.db2.gz NVFBSPMBZROFAQ-ZDUSSCGKSA-N 2 2 271.380 0.975 20 0 CCADLP C[C@H]1CCC[NH+]1CC(=O)N1CCC[N@@H+](CCF)CC1 ZINC000981953455 631346380 /nfs/dbraw/zinc/34/63/80/631346380.db2.gz NVFBSPMBZROFAQ-ZDUSSCGKSA-N 2 2 271.380 0.975 20 0 CCADLP C[C@@H]1COC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000924901827 631610820 /nfs/dbraw/zinc/61/08/20/631610820.db2.gz KOMYNUDEKSXJAY-MCIONIFRSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1COC[C@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000924901827 631610825 /nfs/dbraw/zinc/61/08/25/631610825.db2.gz KOMYNUDEKSXJAY-MCIONIFRSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H]1CCC[N@@H+]1CCNC(=O)NCc1c[nH+]cn1C ZINC000894913176 631881357 /nfs/dbraw/zinc/88/13/57/631881357.db2.gz KRZMARONNXAQKN-NSHDSACASA-N 2 2 265.361 0.704 20 0 CCADLP C[C@H]1CCC[N@H+]1CCNC(=O)NCc1c[nH+]cn1C ZINC000894913176 631881366 /nfs/dbraw/zinc/88/13/66/631881366.db2.gz KRZMARONNXAQKN-NSHDSACASA-N 2 2 265.361 0.704 20 0 CCADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969092185 650039626 /nfs/dbraw/zinc/03/96/26/650039626.db2.gz NNLOKDPUBADOBY-LLVKDONJSA-N 2 2 274.324 0.359 20 0 CCADLP C[C@H]1CC[N@H+](CCNC(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000895292425 632046860 /nfs/dbraw/zinc/04/68/60/632046860.db2.gz UWYKTXXRDPYCCQ-LBPRGKRZSA-N 2 2 279.388 0.604 20 0 CCADLP C[C@H]1CC[N@@H+](CCNC(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000895292425 632046868 /nfs/dbraw/zinc/04/68/68/632046868.db2.gz UWYKTXXRDPYCCQ-LBPRGKRZSA-N 2 2 279.388 0.604 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@@H]2CC[N@@H+](C)C2)c[nH+]1 ZINC000895819318 632161326 /nfs/dbraw/zinc/16/13/26/632161326.db2.gz WNOHVKAICSCHKO-LBPRGKRZSA-N 2 2 264.373 0.995 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@@H]2CC[N@H+](C)C2)c[nH+]1 ZINC000895819318 632161329 /nfs/dbraw/zinc/16/13/29/632161329.db2.gz WNOHVKAICSCHKO-LBPRGKRZSA-N 2 2 264.373 0.995 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCCOCC[NH+](C)C)c[nH+]1 ZINC000897313198 632488027 /nfs/dbraw/zinc/48/80/27/632488027.db2.gz WVOFAKFTXVXLHA-UHFFFAOYSA-N 2 2 282.388 0.621 20 0 CCADLP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000985562715 632556513 /nfs/dbraw/zinc/55/65/13/632556513.db2.gz NGUVOMWIEXNGFX-CYBMUJFWSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000985562715 632556522 /nfs/dbraw/zinc/55/65/22/632556522.db2.gz NGUVOMWIEXNGFX-CYBMUJFWSA-N 2 2 294.399 0.577 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@@H]1C ZINC000987423811 632867028 /nfs/dbraw/zinc/86/70/28/632867028.db2.gz XMNDFWOCJJAWLR-MNOVXSKESA-N 2 2 250.346 0.860 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CCF)CCN1C(=O)CCc1c[nH+]cn1C ZINC000987432118 632868184 /nfs/dbraw/zinc/86/81/84/632868184.db2.gz GUHXUWQYIVDUNS-AAEUAGOBSA-N 2 2 282.363 0.901 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CCF)CCN1C(=O)Cn1cc[nH+]c1 ZINC000987602248 632884529 /nfs/dbraw/zinc/88/45/29/632884529.db2.gz AQUFWJUGZLYGOE-QWRGUYRKSA-N 2 2 254.309 0.432 20 0 CCADLP CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000988933399 633128068 /nfs/dbraw/zinc/12/80/68/633128068.db2.gz LBMYBKIJCHZRTN-CMPLNLGQSA-N 2 2 250.346 0.941 20 0 CCADLP CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000988933399 633128071 /nfs/dbraw/zinc/12/80/71/633128071.db2.gz LBMYBKIJCHZRTN-CMPLNLGQSA-N 2 2 250.346 0.941 20 0 CCADLP CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCc2[nH+]ccn2C)C1 ZINC000989232528 633172829 /nfs/dbraw/zinc/17/28/29/633172829.db2.gz XJOKVCGTWIFKQN-RYUDHWBXSA-N 2 2 264.373 0.952 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCF)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000989610333 633334465 /nfs/dbraw/zinc/33/44/65/633334465.db2.gz AENQPGZMKQMHHL-VHSXEESVSA-N 2 2 254.309 0.501 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@]23CCC[C@H]2[NH+](CCF)CC3)C1 ZINC000990121629 633448675 /nfs/dbraw/zinc/44/86/75/633448675.db2.gz QZKNYJLMZZGVPN-GZBFAFLISA-N 2 2 299.390 0.400 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@]23CCC[C@H]2[NH+](CCF)CC3)C1 ZINC000990121629 633448676 /nfs/dbraw/zinc/44/86/76/633448676.db2.gz QZKNYJLMZZGVPN-GZBFAFLISA-N 2 2 299.390 0.400 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@@]23CCC[C@H]2[N@H+](CCF)CC3)C1 ZINC000990121629 633448677 /nfs/dbraw/zinc/44/86/77/633448677.db2.gz QZKNYJLMZZGVPN-GZBFAFLISA-N 2 2 299.390 0.400 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@@]23CCC[C@H]2[N@@H+](CCF)CC3)C1 ZINC000990121629 633448678 /nfs/dbraw/zinc/44/86/78/633448678.db2.gz QZKNYJLMZZGVPN-GZBFAFLISA-N 2 2 299.390 0.400 20 0 CCADLP C[C@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1cnn(C)n1 ZINC000924658135 633560884 /nfs/dbraw/zinc/56/08/84/633560884.db2.gz KBTIDABCNSTJMH-ZDUSSCGKSA-N 2 2 280.420 0.493 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000899248852 633773561 /nfs/dbraw/zinc/77/35/61/633773561.db2.gz RCHYRCVDXUYXCW-WDEREUQCSA-N 2 2 265.361 0.569 20 0 CCADLP C[C@@H]1C[NH+](CCC[NH2+]C[C@@H](O)C2(O)CCC2)C[C@@H](C)O1 ZINC000899864357 633911326 /nfs/dbraw/zinc/91/13/26/633911326.db2.gz ICFHGOYEMKESMQ-MGPQQGTHSA-N 2 2 286.416 0.351 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900214388 633973238 /nfs/dbraw/zinc/97/32/38/633973238.db2.gz DDNYVKXWPPIIBX-TZMCWYRMSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900214388 633973242 /nfs/dbraw/zinc/97/32/42/633973242.db2.gz DDNYVKXWPPIIBX-TZMCWYRMSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)[NH+]1CCOCC1 ZINC000900594417 634049412 /nfs/dbraw/zinc/04/94/12/634049412.db2.gz QKSJFQMZQYBNAO-STQMWFEESA-N 2 2 281.400 0.308 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900818744 634100793 /nfs/dbraw/zinc/10/07/93/634100793.db2.gz HORYFRJPZZVWQU-PWSUYJOCSA-N 2 2 250.346 0.751 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC000900818744 634100798 /nfs/dbraw/zinc/10/07/98/634100798.db2.gz HORYFRJPZZVWQU-PWSUYJOCSA-N 2 2 250.346 0.751 20 0 CCADLP Cc1[nH]c(CNC(=O)c2cnn(CC[NH+](C)C)c2)[nH+]c1C ZINC000901001032 634138865 /nfs/dbraw/zinc/13/88/65/634138865.db2.gz REUXTVRCBBGETJ-UHFFFAOYSA-N 2 2 290.371 0.715 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[N@H+](C[C@@H]2CCOC2)C1 ZINC001009714772 650156213 /nfs/dbraw/zinc/15/62/13/650156213.db2.gz GZXISXCJFAPYFP-KBPBESRZSA-N 2 2 292.383 0.500 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001009714772 650156214 /nfs/dbraw/zinc/15/62/14/650156214.db2.gz GZXISXCJFAPYFP-KBPBESRZSA-N 2 2 292.383 0.500 20 0 CCADLP COc1nc(C)nc(NCC[NH+]2CCC([NH3+])CC2)c1C ZINC000905707209 634899252 /nfs/dbraw/zinc/89/92/52/634899252.db2.gz SXDRBHPIZZSXCX-UHFFFAOYSA-N 2 2 279.388 0.937 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000908143529 635289511 /nfs/dbraw/zinc/28/95/11/635289511.db2.gz BSOALFYVMQWGPT-ZIAGYGMSSA-N 2 2 293.411 0.404 20 0 CCADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[N@@H+](C2CC2)C1 ZINC000908504434 635404221 /nfs/dbraw/zinc/40/42/21/635404221.db2.gz YBHCHFCBJXJYNO-LLVKDONJSA-N 2 2 262.357 0.895 20 0 CCADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[N@H+](C2CC2)C1 ZINC000908504434 635404225 /nfs/dbraw/zinc/40/42/25/635404225.db2.gz YBHCHFCBJXJYNO-LLVKDONJSA-N 2 2 262.357 0.895 20 0 CCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C1(Cl)CC1 ZINC000924840230 636291571 /nfs/dbraw/zinc/29/15/71/636291571.db2.gz BSAWDXQAHBUQKJ-SNVBAGLBSA-N 2 2 259.781 0.510 20 0 CCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912907054 636696323 /nfs/dbraw/zinc/69/63/23/636696323.db2.gz KZTHGVJZRRIJTO-JSGCOSHPSA-N 2 2 274.368 0.752 20 0 CCADLP O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1C[NH2+]CCO1 ZINC000165709570 636910596 /nfs/dbraw/zinc/91/05/96/636910596.db2.gz ZYOOBMOQCGEKLY-ZDUSSCGKSA-N 2 2 290.298 0.938 20 0 CCADLP O[C@H](C[NH2+]C[C@H](O)c1ccsc1)C[NH+]1CCCC1 ZINC000231982210 637239382 /nfs/dbraw/zinc/23/93/82/637239382.db2.gz OYCDUKKQLYTVCY-OLZOCXBDSA-N 2 2 270.398 0.828 20 0 CCADLP [NH3+]C1(C(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000088130348 637273718 /nfs/dbraw/zinc/27/37/18/637273718.db2.gz QQAJBEJFOSHVPU-UHFFFAOYSA-N 2 2 265.382 0.884 20 0 CCADLP Cc1cccc(NCCNC(=O)NCCn2cc[nH+]c2)[nH+]1 ZINC000913899774 637462761 /nfs/dbraw/zinc/46/27/61/637462761.db2.gz HURSJSHDSRMONI-UHFFFAOYSA-N 2 2 288.355 0.998 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@]12CCC[C@@H]1[N@H+](CCCO)CC2 ZINC000992536568 637466617 /nfs/dbraw/zinc/46/66/17/637466617.db2.gz RPUZABKGWZIFPA-DZGCQCFKSA-N 2 2 292.383 0.379 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@]12CCC[C@@H]1[N@@H+](CCCO)CC2 ZINC000992536568 637466633 /nfs/dbraw/zinc/46/66/33/637466633.db2.gz RPUZABKGWZIFPA-DZGCQCFKSA-N 2 2 292.383 0.379 20 0 CCADLP C[C@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCC[N@@H+]1CCCO ZINC000994510199 637957062 /nfs/dbraw/zinc/95/70/62/637957062.db2.gz SUCDWRATXUCNEK-STQMWFEESA-N 2 2 280.372 0.235 20 0 CCADLP C[C@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCC[N@H+]1CCCO ZINC000994510199 637957068 /nfs/dbraw/zinc/95/70/68/637957068.db2.gz SUCDWRATXUCNEK-STQMWFEESA-N 2 2 280.372 0.235 20 0 CCADLP C#CCC[NH+]1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC000068444190 638257172 /nfs/dbraw/zinc/25/71/72/638257172.db2.gz RJSUYPWFRYYKLV-UHFFFAOYSA-N 2 2 251.374 0.494 20 0 CCADLP C#CCC[NH+]1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC000068444190 638257175 /nfs/dbraw/zinc/25/71/75/638257175.db2.gz RJSUYPWFRYYKLV-UHFFFAOYSA-N 2 2 251.374 0.494 20 0 CCADLP CO[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C1 ZINC000189175612 638520077 /nfs/dbraw/zinc/52/00/77/638520077.db2.gz NEVSDQWCOSOJRW-MCIONIFRSA-N 2 2 281.400 0.607 20 0 CCADLP CO[C@@H]1CC(=O)N(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C1 ZINC000189175612 638520086 /nfs/dbraw/zinc/52/00/86/638520086.db2.gz NEVSDQWCOSOJRW-MCIONIFRSA-N 2 2 281.400 0.607 20 0 CCADLP CO[C@@H]1CC(=O)N(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)C1 ZINC000189175612 638520093 /nfs/dbraw/zinc/52/00/93/638520093.db2.gz NEVSDQWCOSOJRW-MCIONIFRSA-N 2 2 281.400 0.607 20 0 CCADLP CO[C@@H]1CC(=O)N(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)C1 ZINC000189175612 638520097 /nfs/dbraw/zinc/52/00/97/638520097.db2.gz NEVSDQWCOSOJRW-MCIONIFRSA-N 2 2 281.400 0.607 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC000996354973 638816626 /nfs/dbraw/zinc/81/66/26/638816626.db2.gz KPFBSVHHGMZWFB-ZYHUDNBSSA-N 2 2 280.372 0.160 20 0 CCADLP Cn1nc2c(c1C[NH2+]C[C@H](O)C[NH+]1CCCC1)CCC2 ZINC000921587609 638865709 /nfs/dbraw/zinc/86/57/09/638865709.db2.gz RWEYDSDYBDOLHG-LBPRGKRZSA-N 2 2 278.400 0.455 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CCC[C@@H]([NH2+]CCF)C1 ZINC000999038075 638955318 /nfs/dbraw/zinc/95/53/18/638955318.db2.gz DFLNTUNMSYJTCD-LLVKDONJSA-N 2 2 268.336 0.892 20 0 CCADLP CC[NH2+][C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000999043840 638957213 /nfs/dbraw/zinc/95/72/13/638957213.db2.gz KKIHTKBOJIUQKR-NSHDSACASA-N 2 2 250.346 0.943 20 0 CCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC[C@H]([NH2+]CCO)C1 ZINC000999534679 638984846 /nfs/dbraw/zinc/98/48/46/638984846.db2.gz HEEZZHDKNNESKP-OLZOCXBDSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001000322247 639070568 /nfs/dbraw/zinc/07/05/68/639070568.db2.gz WFCPLKRFEZNCKU-QWHCGFSZSA-N 2 2 292.383 0.569 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]([NH2+]CCF)C1 ZINC001000314102 639072239 /nfs/dbraw/zinc/07/22/39/639072239.db2.gz VYUGMZWTALYEKR-SNVBAGLBSA-N 2 2 254.309 0.502 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)NCC2=CC[NH+](CCF)CC2)C1 ZINC001000546959 639117591 /nfs/dbraw/zinc/11/75/91/639117591.db2.gz LNZDHLFYIFNGGC-ZDUSSCGKSA-N 2 2 285.363 0.035 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)NCC2=CC[NH+](CCF)CC2)C1 ZINC001000546959 639117595 /nfs/dbraw/zinc/11/75/95/639117595.db2.gz LNZDHLFYIFNGGC-ZDUSSCGKSA-N 2 2 285.363 0.035 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)NCC2=CC[N@H+](CCF)CC2)C1 ZINC001000546959 639117601 /nfs/dbraw/zinc/11/76/01/639117601.db2.gz LNZDHLFYIFNGGC-ZDUSSCGKSA-N 2 2 285.363 0.035 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)NCC2=CC[N@@H+](CCF)CC2)C1 ZINC001000546959 639117607 /nfs/dbraw/zinc/11/76/07/639117607.db2.gz LNZDHLFYIFNGGC-ZDUSSCGKSA-N 2 2 285.363 0.035 20 0 CCADLP CCC[NH2+][C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001000547000 639118197 /nfs/dbraw/zinc/11/81/97/639118197.db2.gz QRROZOZPNFXBPU-LLVKDONJSA-N 2 2 250.346 0.943 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]([NH2+]C[C@H](C)O)C1 ZINC001000794731 639168263 /nfs/dbraw/zinc/16/82/63/639168263.db2.gz JGLNDONTRQSNCD-JQWIXIFHSA-N 2 2 280.372 0.222 20 0 CCADLP CN(C)C(=O)c1cccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000921997960 639457824 /nfs/dbraw/zinc/45/78/24/639457824.db2.gz BHAFYBTWHRQIDO-INIZCTEOSA-N 2 2 291.395 0.545 20 0 CCADLP CN(C)C(=O)c1cccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000921997960 639457826 /nfs/dbraw/zinc/45/78/26/639457826.db2.gz BHAFYBTWHRQIDO-INIZCTEOSA-N 2 2 291.395 0.545 20 0 CCADLP O=C(NC1CC[NH+](CCO)CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001003195586 639516046 /nfs/dbraw/zinc/51/60/46/639516046.db2.gz ZTIGUVXSGIAEDG-GFCCVEGCSA-N 2 2 292.383 0.018 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CNC(=O)C2)C[N@@H+]1C1CC1 ZINC000922780854 639784587 /nfs/dbraw/zinc/78/45/87/639784587.db2.gz MATLZJRBGXTQBQ-UTUOFQBUSA-N 2 2 251.374 0.727 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CNC(=O)C2)C[N@H+]1C1CC1 ZINC000922780854 639784599 /nfs/dbraw/zinc/78/45/99/639784599.db2.gz MATLZJRBGXTQBQ-UTUOFQBUSA-N 2 2 251.374 0.727 20 0 CCADLP [NH3+]C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1 ZINC000923291758 640072533 /nfs/dbraw/zinc/07/25/33/640072533.db2.gz FYSSZTANLDYCFA-CHWSQXEVSA-N 2 2 250.342 0.849 20 0 CCADLP [NH3+]C[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1 ZINC000923291758 640072540 /nfs/dbraw/zinc/07/25/40/640072540.db2.gz FYSSZTANLDYCFA-CHWSQXEVSA-N 2 2 250.342 0.849 20 0 CCADLP [NH3+]C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(F)cc1 ZINC000923293599 640074381 /nfs/dbraw/zinc/07/43/81/640074381.db2.gz YOMPAODXYVALOP-CHWSQXEVSA-N 2 2 268.332 0.989 20 0 CCADLP [NH3+]C[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(F)cc1 ZINC000923293599 640074383 /nfs/dbraw/zinc/07/43/83/640074383.db2.gz YOMPAODXYVALOP-CHWSQXEVSA-N 2 2 268.332 0.989 20 0 CCADLP C[C@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@](C)(C(F)F)O1 ZINC000923400448 640121108 /nfs/dbraw/zinc/12/11/08/640121108.db2.gz YONMEAZUDKAXES-VGBILLHSSA-N 2 2 264.316 0.582 20 0 CCADLP C[C@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@](C)(C(F)F)O1 ZINC000923400448 640121114 /nfs/dbraw/zinc/12/11/14/640121114.db2.gz YONMEAZUDKAXES-VGBILLHSSA-N 2 2 264.316 0.582 20 0 CCADLP [NH3+][C@@H]1CCCCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923411177 640127625 /nfs/dbraw/zinc/12/76/25/640127625.db2.gz MITGYBZDPBBXFB-CHWSQXEVSA-N 3 2 253.390 0.568 20 0 CCADLP [NH3+][C@@H]1CCCCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923411177 640127632 /nfs/dbraw/zinc/12/76/32/640127632.db2.gz MITGYBZDPBBXFB-CHWSQXEVSA-N 3 2 253.390 0.568 20 0 CCADLP [NH3+]C[C@H]1CCCC[N@@H+]1C[C@@H](O)COC[C@H]1CCCO1 ZINC000923414591 640129677 /nfs/dbraw/zinc/12/96/77/640129677.db2.gz MOTMWSUOZLZGNL-MGPQQGTHSA-N 2 2 272.389 0.356 20 0 CCADLP [NH3+]C[C@H]1CCCC[N@H+]1C[C@@H](O)COC[C@H]1CCCO1 ZINC000923414591 640129686 /nfs/dbraw/zinc/12/96/86/640129686.db2.gz MOTMWSUOZLZGNL-MGPQQGTHSA-N 2 2 272.389 0.356 20 0 CCADLP COCC[NH+]1CCC(N(C)C(=O)Cc2c[nH+]cn2C)CC1 ZINC001006291692 640217766 /nfs/dbraw/zinc/21/77/66/640217766.db2.gz HUYOEYJYGNPQST-UHFFFAOYSA-N 2 2 294.399 0.532 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000799168805 640553908 /nfs/dbraw/zinc/55/39/08/640553908.db2.gz XIIFLSOHELWANS-GHMZBOCLSA-N 2 2 276.340 0.405 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000799168805 640553913 /nfs/dbraw/zinc/55/39/13/640553913.db2.gz XIIFLSOHELWANS-GHMZBOCLSA-N 2 2 276.340 0.405 20 0 CCADLP CC1(C)CC[N@H+](CC(=O)N[C@H]2CC[NH+](CCF)C2)C1 ZINC001015707147 650613417 /nfs/dbraw/zinc/61/34/17/650613417.db2.gz MXCKWOIXKMZLPL-LBPRGKRZSA-N 2 2 271.380 0.878 20 0 CCADLP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CC[NH+](CCF)C2)C1 ZINC001015707147 650613421 /nfs/dbraw/zinc/61/34/21/650613421.db2.gz MXCKWOIXKMZLPL-LBPRGKRZSA-N 2 2 271.380 0.878 20 0 CCADLP CC1(C)CC[NH+](CC(=O)N[C@H]2CC[N@H+](CCF)C2)C1 ZINC001015707147 650613424 /nfs/dbraw/zinc/61/34/24/650613424.db2.gz MXCKWOIXKMZLPL-LBPRGKRZSA-N 2 2 271.380 0.878 20 0 CCADLP CC1(C)CC[NH+](CC(=O)N[C@H]2CC[N@@H+](CCF)C2)C1 ZINC001015707147 650613426 /nfs/dbraw/zinc/61/34/26/650613426.db2.gz MXCKWOIXKMZLPL-LBPRGKRZSA-N 2 2 271.380 0.878 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)N1CC[NH+](C)CC1 ZINC000114076503 650653309 /nfs/dbraw/zinc/65/33/09/650653309.db2.gz MXTMYMJFFAZYDF-LSDHHAIUSA-N 2 2 296.459 0.469 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)N1CC[NH+](C)CC1 ZINC000114076503 650653310 /nfs/dbraw/zinc/65/33/10/650653310.db2.gz MXTMYMJFFAZYDF-LSDHHAIUSA-N 2 2 296.459 0.469 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+]1CCN(C)CC1 ZINC000114076503 650653311 /nfs/dbraw/zinc/65/33/11/650653311.db2.gz MXTMYMJFFAZYDF-LSDHHAIUSA-N 2 2 296.459 0.469 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+]1CCN(C)CC1 ZINC000114076503 650653312 /nfs/dbraw/zinc/65/33/12/650653312.db2.gz MXTMYMJFFAZYDF-LSDHHAIUSA-N 2 2 296.459 0.469 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001015996086 650671986 /nfs/dbraw/zinc/67/19/86/650671986.db2.gz CRPPEDSOEJCUOM-RYUDHWBXSA-N 2 2 280.372 0.188 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001015996086 650671988 /nfs/dbraw/zinc/67/19/88/650671988.db2.gz CRPPEDSOEJCUOM-RYUDHWBXSA-N 2 2 280.372 0.188 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001015997116 650672128 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XQFAMFVNJVOPKD-MJBXVCDLSA-N 2 2 281.400 0.401 20 0 CCADLP CC(C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001017442357 650803328 /nfs/dbraw/zinc/80/33/28/650803328.db2.gz XQFAMFVNJVOPKD-MJBXVCDLSA-N 2 2 281.400 0.401 20 0 CCADLP CC(C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001017442357 650803331 /nfs/dbraw/zinc/80/33/31/650803331.db2.gz XQFAMFVNJVOPKD-MJBXVCDLSA-N 2 2 281.400 0.401 20 0 CCADLP CC(C)[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001017442357 650803334 /nfs/dbraw/zinc/80/33/34/650803334.db2.gz XQFAMFVNJVOPKD-MJBXVCDLSA-N 2 2 281.400 0.401 20 0 CCADLP Cn1ncc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)n1 ZINC000843389424 643045760 /nfs/dbraw/zinc/04/57/60/643045760.db2.gz UEOMACXFTNDQSU-OLZOCXBDSA-N 2 2 265.361 0.143 20 0 CCADLP O=C(c1n[nH]c2c1C[NH2+]CC2)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000843451793 643060583 /nfs/dbraw/zinc/06/05/83/643060583.db2.gz ZIGGJFCEAFJQDC-JTQLQIEISA-N 2 2 275.356 0.022 20 0 CCADLP 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O=C(NCCCn1cc[nH+]c1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000871600174 646157512 /nfs/dbraw/zinc/15/75/12/646157512.db2.gz KJPCCIGIMZXFAH-JSGCOSHPSA-N 2 2 277.372 0.857 20 0 CCADLP CS(=O)(=O)CCC(N)=[NH+]OCC[NH+]1CCCCC1 ZINC000871774500 646180055 /nfs/dbraw/zinc/18/00/55/646180055.db2.gz URIFBROKCADZGO-UHFFFAOYSA-N 2 2 277.390 0.405 20 0 CCADLP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H](O)CC(C)(C)O)C[C@H](C)O1 ZINC000871971733 646200697 /nfs/dbraw/zinc/20/06/97/646200697.db2.gz QCNVLVPQNOCFPJ-HZSPNIEDSA-N 2 2 288.432 0.597 20 0 CCADLP C[C@@H]1C[N@H+](CCC[NH2+]C[C@H](O)CC(C)(C)O)C[C@H](C)O1 ZINC000871971733 646200700 /nfs/dbraw/zinc/20/07/00/646200700.db2.gz QCNVLVPQNOCFPJ-HZSPNIEDSA-N 2 2 288.432 0.597 20 0 CCADLP C[C@]12C[N@H+](C[C@@H]3CCC[NH2+]C3)C[C@@]1(C)CS(=O)(=O)C2 ZINC000872147993 646213260 /nfs/dbraw/zinc/21/32/60/646213260.db2.gz NHXJZZNDWHWUOE-MCIONIFRSA-N 2 2 286.441 0.743 20 0 CCADLP C[C@]12C[N@@H+](C[C@@H]3CCC[NH2+]C3)C[C@@]1(C)CS(=O)(=O)C2 ZINC000872147993 646213264 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C[N@H+]1C[C@@H]2C(=O)NC3(CCN(c4cccc[nH+]4)CC3)[C@H]2C1 ZINC001277752132 806010791 /nfs/dbraw/zinc/01/07/91/806010791.db2.gz BPPRXLAKPOFENB-STQMWFEESA-N 2 2 286.379 0.728 20 0 CCADLP O[C@@H](C[NH2+][C@H]1C[NH2+]CC12CC2)COCc1ccco1 ZINC001245986742 807108526 /nfs/dbraw/zinc/10/85/26/807108526.db2.gz QEQZNHRAQJPHLE-AAEUAGOBSA-N 2 2 266.341 0.499 20 0 CCADLP COCCOC[N@@H+]1C[C@H]2C[C@@H](C1)N(c1c[nH+]cn1C)C2 ZINC001277769664 806025244 /nfs/dbraw/zinc/02/52/44/806025244.db2.gz NSMAENFQENFVES-OLZOCXBDSA-N 2 2 280.372 0.551 20 0 CCADLP COCCOC[N@H+]1C[C@H]2C[C@@H](C1)N(c1c[nH+]cn1C)C2 ZINC001277769664 806025250 /nfs/dbraw/zinc/02/52/50/806025250.db2.gz NSMAENFQENFVES-OLZOCXBDSA-N 2 2 280.372 0.551 20 0 CCADLP CN(CC[NH2+]CC[C@@H]1CCOC1)C(=O)CCc1c[nH]c[nH+]1 ZINC001266720527 791183568 /nfs/dbraw/zinc/18/35/68/791183568.db2.gz NAFMIJNDBOXADZ-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP CN(CC[NH2+]CC[C@@H]1CCOC1)C(=O)CCc1c[nH+]c[nH]1 ZINC001266720527 791183571 /nfs/dbraw/zinc/18/35/71/791183571.db2.gz NAFMIJNDBOXADZ-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP O=C1NC[C@@H]2CC[N@H+](Cc3cccc4[nH+]ccn43)C[C@H]12 ZINC001233363683 806045152 /nfs/dbraw/zinc/04/51/52/806045152.db2.gz UYNSOEYWKAHSAI-AAEUAGOBSA-N 2 2 270.336 0.902 20 0 CCADLP O=C1NC[C@@H]2CC[N@@H+](Cc3cccc4[nH+]ccn43)C[C@H]12 ZINC001233363683 806045160 /nfs/dbraw/zinc/04/51/60/806045160.db2.gz UYNSOEYWKAHSAI-AAEUAGOBSA-N 2 2 270.336 0.902 20 0 CCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1CC[NH2+]CCO ZINC001104469046 793259003 /nfs/dbraw/zinc/25/90/03/793259003.db2.gz XIWPFWLZFZNXRM-ZIAGYGMSSA-N 2 2 294.399 0.340 20 0 CCADLP c1nc2cccc(CN3CC[NH2+]C[C@@]34CC[NH2+]C4)c2[nH]1 ZINC001234989446 806335140 /nfs/dbraw/zinc/33/51/40/806335140.db2.gz PKKGVNUUWWVYFG-HNNXBMFYSA-N 2 2 271.368 0.700 20 0 CCADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001235160472 806380241 /nfs/dbraw/zinc/38/02/41/806380241.db2.gz LQLNPSAUEDFHPU-GXTWGEPZSA-N 2 2 270.340 0.790 20 0 CCADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001235160472 806380249 /nfs/dbraw/zinc/38/02/49/806380249.db2.gz LQLNPSAUEDFHPU-GXTWGEPZSA-N 2 2 270.340 0.790 20 0 CCADLP C[C@@H]([NH3+])C[NH+]1CCC2(CC1)NC(=O)C[C@@H]2c1cnn(C)c1 ZINC001235582334 806463891 /nfs/dbraw/zinc/46/38/91/806463891.db2.gz HPYFCWJCSSVWNZ-DGCLKSJQSA-N 2 2 291.399 0.205 20 0 CCADLP C[C@@H]([NH3+])C[NH+]1CCC2(CC1)CN(CC1CC1)C(=O)CO2 ZINC001235588790 806465173 /nfs/dbraw/zinc/46/51/73/806465173.db2.gz WXJVNBBQENMHFI-GFCCVEGCSA-N 2 2 281.400 0.437 20 0 CCADLP Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@H+]3C[C@H](C)[NH3+])cs1 ZINC001235610626 806472461 /nfs/dbraw/zinc/47/24/61/806472461.db2.gz CQHLGOKWNWSGMG-TVYUQYBPSA-N 2 2 294.424 0.974 20 0 CCADLP Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3C[C@H](C)[NH3+])cs1 ZINC001235610626 806472464 /nfs/dbraw/zinc/47/24/64/806472464.db2.gz CQHLGOKWNWSGMG-TVYUQYBPSA-N 2 2 294.424 0.974 20 0 CCADLP CC1(C)[NH2+][C@@H](CC[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)CO1 ZINC001235928565 806519311 /nfs/dbraw/zinc/51/93/11/806519311.db2.gz AMJDKDCMISKNKL-AGIUHOORSA-N 3 2 253.390 0.642 20 0 CCADLP CC1(C)[NH2+][C@@H](CC[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)CO1 ZINC001235928565 806519319 /nfs/dbraw/zinc/51/93/19/806519319.db2.gz AMJDKDCMISKNKL-AGIUHOORSA-N 3 2 253.390 0.642 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@H]2CC[NH2+]C[C@H]2F)C[NH2+]1 ZINC001246089219 807150250 /nfs/dbraw/zinc/15/02/50/807150250.db2.gz CBGFDDAWYYKOSD-USZNOCQGSA-N 2 2 287.379 0.348 20 0 CCADLP C[NH+]1CCN(c2ccc(-c3cnc(C[NH3+])nc3)cn2)CC1 ZINC001235972664 806520917 /nfs/dbraw/zinc/52/09/17/806520917.db2.gz OHNRDPMEXJVQDN-UHFFFAOYSA-N 2 2 284.367 0.749 20 0 CCADLP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235990895 806522495 /nfs/dbraw/zinc/52/24/95/806522495.db2.gz DUTHWCYLBWROPQ-DMRUHBNHSA-N 3 2 289.370 0.383 20 0 CCADLP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235990895 806522502 /nfs/dbraw/zinc/52/25/02/806522502.db2.gz DUTHWCYLBWROPQ-DMRUHBNHSA-N 3 2 289.370 0.383 20 0 CCADLP C[C@H]1CNCC(F)(F)[C@@H]1C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235990895 806522507 /nfs/dbraw/zinc/52/25/07/806522507.db2.gz DUTHWCYLBWROPQ-DMRUHBNHSA-N 2 2 289.370 0.383 20 0 CCADLP C[C@H]1CNCC(F)(F)[C@@H]1C[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235990895 806522510 /nfs/dbraw/zinc/52/25/10/806522510.db2.gz DUTHWCYLBWROPQ-DMRUHBNHSA-N 2 2 289.370 0.383 20 0 CCADLP Cn1cc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c2cccnc21 ZINC001235991727 806523795 /nfs/dbraw/zinc/52/37/95/806523795.db2.gz FQUIUALSRLKLRG-NNQSOWQGSA-N 2 2 286.379 0.979 20 0 CCADLP Cn1cc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c2cccnc21 ZINC001235991727 806523801 /nfs/dbraw/zinc/52/38/01/806523801.db2.gz FQUIUALSRLKLRG-NNQSOWQGSA-N 2 2 286.379 0.979 20 0 CCADLP CCOC(=O)[C@]12C[N@H+](Cc3cnn(C)c3)C[C@H]1C[NH2+]CC2 ZINC001236037567 806531659 /nfs/dbraw/zinc/53/16/59/806531659.db2.gz AQWMYFJZWLJRBA-UKRRQHHQSA-N 2 2 292.383 0.395 20 0 CCADLP CCOC(=O)[C@]12C[N@@H+](Cc3cnn(C)c3)C[C@H]1C[NH2+]CC2 ZINC001236037567 806531664 /nfs/dbraw/zinc/53/16/64/806531664.db2.gz AQWMYFJZWLJRBA-UKRRQHHQSA-N 2 2 292.383 0.395 20 0 CCADLP CCOC(=O)[C@]12C[N@H+](Cc3cnc(C)o3)C[C@H]1C[NH2+]CC2 ZINC001236041993 806533740 /nfs/dbraw/zinc/53/37/40/806533740.db2.gz VSBQNWFFTDLCOX-IUODEOHRSA-N 2 2 293.367 0.958 20 0 CCADLP CCOC(=O)[C@]12C[N@@H+](Cc3cnc(C)o3)C[C@H]1C[NH2+]CC2 ZINC001236041993 806533746 /nfs/dbraw/zinc/53/37/46/806533746.db2.gz VSBQNWFFTDLCOX-IUODEOHRSA-N 2 2 293.367 0.958 20 0 CCADLP COC(=O)[C@@]1([NH3+])CCN(CCC[NH2+]C2CCCCC2)C1 ZINC001236279894 806557664 /nfs/dbraw/zinc/55/76/64/806557664.db2.gz SQAQNKDCNQLHGG-OAHLLOKOSA-N 2 2 283.416 0.875 20 0 CCADLP CCOC(=O)NC1CC[NH+](C[C@@H]2C[NH2+]C(C)(C)O2)CC1 ZINC001236466478 806591050 /nfs/dbraw/zinc/59/10/50/806591050.db2.gz ZKHAHOVBZVHIKY-LBPRGKRZSA-N 2 2 285.388 0.921 20 0 CCADLP [NH3+][C@@H]1C[N@H+](CC2CC3(C2)CC[NH2+]CC3)CC12COC2 ZINC001237176689 806644387 /nfs/dbraw/zinc/64/43/87/806644387.db2.gz SNGDBNUQZSJMQA-CYBMUJFWSA-N 3 2 265.401 0.426 20 0 CCADLP [NH3+][C@@H]1C[N@@H+](CC2CC3(C2)CC[NH2+]CC3)CC12COC2 ZINC001237176689 806644390 /nfs/dbraw/zinc/64/43/90/806644390.db2.gz SNGDBNUQZSJMQA-CYBMUJFWSA-N 3 2 265.401 0.426 20 0 CCADLP Cn1c(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cccc1=O ZINC001237412375 806661817 /nfs/dbraw/zinc/66/18/17/806661817.db2.gz IGGOXSDPSUYQEZ-TZMCWYRMSA-N 2 2 261.369 0.959 20 0 CCADLP Cn1c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cccc1=O ZINC001237412375 806661820 /nfs/dbraw/zinc/66/18/20/806661820.db2.gz IGGOXSDPSUYQEZ-TZMCWYRMSA-N 2 2 261.369 0.959 20 0 CCADLP [NH3+]CC[C@@H]1CCN(C(=O)NCCCn2cc[nH+]c2)C1 ZINC001120563618 798867278 /nfs/dbraw/zinc/86/72/78/798867278.db2.gz UNPLOHCQPRWXQJ-GFCCVEGCSA-N 2 2 265.361 0.654 20 0 CCADLP C/C(=C\C(=O)N[C@H]1C[NH+]2CCC1CC2)C[NH+]1CCOCC1 ZINC001120775019 798934397 /nfs/dbraw/zinc/93/43/97/798934397.db2.gz YPOZWMTWGZBNTE-VOMSXAGXSA-N 2 2 293.411 0.475 20 0 CCADLP Nc1nc(N2CC[NH+](C3CCOCC3)CC2)cc[nH+]1 ZINC001120823305 798943826 /nfs/dbraw/zinc/94/38/26/798943826.db2.gz XSFLPAUEXIQISV-UHFFFAOYSA-N 2 2 263.345 0.360 20 0 CCADLP Nc1cc(NC[C@@H]2CC[N@@H+]2C2CCOCC2)nc[nH+]1 ZINC001120963209 798970134 /nfs/dbraw/zinc/97/01/34/798970134.db2.gz JYRXJUBOQWWLIO-NSHDSACASA-N 2 2 263.345 0.724 20 0 CCADLP Nc1cc(NC[C@@H]2CC[N@H+]2C2CCOCC2)nc[nH+]1 ZINC001120963209 798970137 /nfs/dbraw/zinc/97/01/37/798970137.db2.gz JYRXJUBOQWWLIO-NSHDSACASA-N 2 2 263.345 0.724 20 0 CCADLP C[C@@H]1C[N@@H+](CCCNC(=O)C[C@@H]([NH3+])C(F)F)C[C@H](C)O1 ZINC001121904438 799089977 /nfs/dbraw/zinc/08/99/77/799089977.db2.gz BYJMCMHFXMNBHS-OUAUKWLOSA-N 2 2 293.358 0.584 20 0 CCADLP C[C@@H]1C[N@H+](CCCNC(=O)C[C@@H]([NH3+])C(F)F)C[C@H](C)O1 ZINC001121904438 799089982 /nfs/dbraw/zinc/08/99/82/799089982.db2.gz BYJMCMHFXMNBHS-OUAUKWLOSA-N 2 2 293.358 0.584 20 0 CCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@H]([NH3+])C(F)F)C1 ZINC001122005754 799119887 /nfs/dbraw/zinc/11/98/87/799119887.db2.gz STLOFCBUXITORQ-UWVGGRQHSA-N 2 2 263.332 0.769 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@H]([NH3+])C(F)F)C1 ZINC001122005754 799119890 /nfs/dbraw/zinc/11/98/90/799119890.db2.gz STLOFCBUXITORQ-UWVGGRQHSA-N 2 2 263.332 0.769 20 0 CCADLP Cc1sc(C[NH3+])nc1C(=O)NCCc1[nH]cc[nH+]1 ZINC001122004176 799119181 /nfs/dbraw/zinc/11/91/81/799119181.db2.gz IUBOSKAANLVYJY-UHFFFAOYSA-N 2 2 265.342 0.606 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[NH2+]C1CC1 ZINC001122007347 799119928 /nfs/dbraw/zinc/11/99/28/799119928.db2.gz LEBHFUBPSNQYGZ-SNVBAGLBSA-N 2 2 250.346 0.847 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+]C1CC1 ZINC001122007347 799119930 /nfs/dbraw/zinc/11/99/30/799119930.db2.gz LEBHFUBPSNQYGZ-SNVBAGLBSA-N 2 2 250.346 0.847 20 0 CCADLP CC[C@H](C(=O)N[C@H](C)C[NH3+])[N@@H+]1CCO[C@@H](CC)C1 ZINC001122015901 799122177 /nfs/dbraw/zinc/12/21/77/799122177.db2.gz UTWOGCRCERMXOK-GRYCIOLGSA-N 2 2 257.378 0.339 20 0 CCADLP CC[C@H](C(=O)N[C@H](C)C[NH3+])[N@H+]1CCO[C@@H](CC)C1 ZINC001122015901 799122178 /nfs/dbraw/zinc/12/21/78/799122178.db2.gz UTWOGCRCERMXOK-GRYCIOLGSA-N 2 2 257.378 0.339 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@@]12CC[NH2+]C2 ZINC001122324578 799198856 /nfs/dbraw/zinc/19/88/56/799198856.db2.gz PQPSORBBICSQSW-GYSYKLTISA-N 2 2 260.341 0.868 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@@]12CC[NH2+]C2 ZINC001122324578 799198860 /nfs/dbraw/zinc/19/88/60/799198860.db2.gz PQPSORBBICSQSW-GYSYKLTISA-N 2 2 260.341 0.868 20 0 CCADLP CC(C)[NH2+]CC(=O)N(C)[C@H](C)C[NH+]1CCOCC1 ZINC001122615474 799275043 /nfs/dbraw/zinc/27/50/43/799275043.db2.gz OWOGXPHVZZLXAT-GFCCVEGCSA-N 2 2 257.378 0.164 20 0 CCADLP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH3+])C1)[N@@H+]1CCO[C@@H](CC)C1 ZINC001122581619 799268200 /nfs/dbraw/zinc/26/82/00/799268200.db2.gz XPXHPAXFPCFAMI-QNWHQSFQSA-N 2 2 269.389 0.482 20 0 CCADLP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH3+])C1)[N@H+]1CCO[C@@H](CC)C1 ZINC001122581619 799268205 /nfs/dbraw/zinc/26/82/05/799268205.db2.gz XPXHPAXFPCFAMI-QNWHQSFQSA-N 2 2 269.389 0.482 20 0 CCADLP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH3+])C1)[N@@H+]1CCO[C@H](CC)C1 ZINC001122581624 799269311 /nfs/dbraw/zinc/26/93/11/799269311.db2.gz XPXHPAXFPCFAMI-XQHKEYJVSA-N 2 2 269.389 0.482 20 0 CCADLP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH3+])C1)[N@H+]1CCO[C@H](CC)C1 ZINC001122581624 799269313 /nfs/dbraw/zinc/26/93/13/799269313.db2.gz XPXHPAXFPCFAMI-XQHKEYJVSA-N 2 2 269.389 0.482 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](CO)[NH2+]CC1=CCCCC1 ZINC001278171491 806739585 /nfs/dbraw/zinc/73/95/85/806739585.db2.gz HPONDGJLQVTUBV-ZDUSSCGKSA-N 2 2 292.383 0.519 20 0 CCADLP CC[NH+]1C[C@H]2C[NH+](Cc3cnn(CCOC)c3)C[C@@H]2C1 ZINC001139782930 799842714 /nfs/dbraw/zinc/84/27/14/799842714.db2.gz FAPCWWJIDGNLBV-GJZGRUSLSA-N 2 2 278.400 0.913 20 0 CCADLP COCCCC[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001203058025 799929500 /nfs/dbraw/zinc/92/95/00/799929500.db2.gz DTGMJGUCAYCQJS-UHFFFAOYSA-N 2 2 294.399 0.959 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(CO)o2)C1 ZINC001140684789 799930069 /nfs/dbraw/zinc/93/00/69/799930069.db2.gz RCUXTQPTJHJFBD-GFCCVEGCSA-N 2 2 295.383 0.414 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(CO)o2)C1 ZINC001140684789 799930077 /nfs/dbraw/zinc/93/00/77/799930077.db2.gz RCUXTQPTJHJFBD-GFCCVEGCSA-N 2 2 295.383 0.414 20 0 CCADLP CC[NH+](CC)CC(=O)NC[C@H]1C[N@H+](CCF)CCCO1 ZINC001150481550 800337737 /nfs/dbraw/zinc/33/77/37/800337737.db2.gz YSBGJLGKXVVIHG-ZDUSSCGKSA-N 2 2 289.395 0.505 20 0 CCADLP CC[NH+](CC)CC(=O)NC[C@H]1C[N@@H+](CCF)CCCO1 ZINC001150481550 800337741 /nfs/dbraw/zinc/33/77/41/800337741.db2.gz YSBGJLGKXVVIHG-ZDUSSCGKSA-N 2 2 289.395 0.505 20 0 CCADLP CCc1noc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001151073276 800395592 /nfs/dbraw/zinc/39/55/92/800395592.db2.gz IFIJQPDIXXVCOQ-WDEREUQCSA-N 2 2 295.387 0.351 20 0 CCADLP CCc1noc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001151073276 800395600 /nfs/dbraw/zinc/39/56/00/800395600.db2.gz IFIJQPDIXXVCOQ-WDEREUQCSA-N 2 2 295.387 0.351 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)C[N@H+](C)C(C)C)s1 ZINC001152427236 800520488 /nfs/dbraw/zinc/52/04/88/800520488.db2.gz UYERUXISDVIPNT-UHFFFAOYSA-N 2 2 299.444 0.647 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C)s1 ZINC001152427236 800520490 /nfs/dbraw/zinc/52/04/90/800520490.db2.gz UYERUXISDVIPNT-UHFFFAOYSA-N 2 2 299.444 0.647 20 0 CCADLP COCC[NH2+]CCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001152618325 800542569 /nfs/dbraw/zinc/54/25/69/800542569.db2.gz KVXQHMPTMSMXBB-CYBMUJFWSA-N 2 2 280.372 0.037 20 0 CCADLP C[C@H](C(=O)NCCCN(C)c1cccc[nH+]1)[NH+](C)C ZINC001153119244 800598850 /nfs/dbraw/zinc/59/88/50/800598850.db2.gz CIIPQNXPEXGUOM-GFCCVEGCSA-N 2 2 264.373 0.974 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NCC[NH2+]C[C@@H]1CCOC1 ZINC001153350840 800624416 /nfs/dbraw/zinc/62/44/16/800624416.db2.gz KZDYRZOMWQXXIV-ZDUSSCGKSA-N 2 2 280.372 0.406 20 0 CCADLP Cc1cccnc1C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153488010 800635235 /nfs/dbraw/zinc/63/52/35/800635235.db2.gz ZWDUZIVMYDJVJT-UHFFFAOYSA-N 2 2 273.340 0.493 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2)c(C)s1 ZINC001153495696 800635438 /nfs/dbraw/zinc/63/54/38/800635438.db2.gz NZEUCXQCZBTFTI-UHFFFAOYSA-N 2 2 293.396 0.862 20 0 CCADLP CC[C@H](C[NH2+]CCNC(=O)Cn1cc[nH+]c1)OC ZINC001153496344 800635473 /nfs/dbraw/zinc/63/54/73/800635473.db2.gz ZSDISOHJPBBLST-LLVKDONJSA-N 2 2 254.334 0.014 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]Cc1ccc(CO)cc1 ZINC001153496148 800635576 /nfs/dbraw/zinc/63/55/76/800635576.db2.gz SXINANIBLYMUGW-UHFFFAOYSA-N 2 2 288.351 0.281 20 0 CCADLP COC(=O)c1nccnc1-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155052636 800898993 /nfs/dbraw/zinc/89/89/93/800898993.db2.gz DVDUNWRTYMRSQA-UHFFFAOYSA-N 2 2 287.323 0.916 20 0 CCADLP NC(=O)c1ccnc(-n2c[nH+]cc2C2CC[NH2+]CC2)n1 ZINC001155052678 800899401 /nfs/dbraw/zinc/89/94/01/800899401.db2.gz FQUZXEWGRZEZCY-UHFFFAOYSA-N 2 2 272.312 0.228 20 0 CCADLP [NH3+]CC1C[NH+]([C@@H]2CCCN(c3cccc(Cl)[n+]3[O-])C2)C1 ZINC001155373672 800961419 /nfs/dbraw/zinc/96/14/19/800961419.db2.gz SCBQENHTVGNTKU-GFCCVEGCSA-N 2 2 296.802 0.833 20 0 CCADLP Cc1nc2[nH]ccc2c(NCc2nnn3c2C[NH2+]CCC3)[nH+]1 ZINC001155393768 800966678 /nfs/dbraw/zinc/96/66/78/800966678.db2.gz FTQVMULMECWHFP-UHFFFAOYSA-N 2 2 298.354 0.963 20 0 CCADLP C[C@H](C[NH+](C)C)Nc1cc(N2CCC[C@@H]2C(N)=O)[nH+]cn1 ZINC001155922667 801077696 /nfs/dbraw/zinc/07/76/96/801077696.db2.gz YDPNVWDZPMNYPI-GHMZBOCLSA-N 2 2 292.387 0.293 20 0 CCADLP CC[N@H+](C[C@@H](C)OC)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156383546 801159579 /nfs/dbraw/zinc/15/95/79/801159579.db2.gz NYHQDTLQLYKACT-CHWSQXEVSA-N 2 2 296.415 0.824 20 0 CCADLP CC[N@@H+](C[C@@H](C)OC)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156383546 801159583 /nfs/dbraw/zinc/15/95/83/801159583.db2.gz NYHQDTLQLYKACT-CHWSQXEVSA-N 2 2 296.415 0.824 20 0 CCADLP C[N@@H+]1CC[C@H](Nc2cc[nH+]c(N3CCOCC3)n2)C1 ZINC001156581394 801190476 /nfs/dbraw/zinc/19/04/76/801190476.db2.gz ZYYQDDMQWJJDSL-NSHDSACASA-N 2 2 263.345 0.429 20 0 CCADLP C[N@H+]1CC[C@H](Nc2cc[nH+]c(N3CCOCC3)n2)C1 ZINC001156581394 801190480 /nfs/dbraw/zinc/19/04/80/801190480.db2.gz ZYYQDDMQWJJDSL-NSHDSACASA-N 2 2 263.345 0.429 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[N@H+](C)CC1(C)C ZINC001156597952 801193647 /nfs/dbraw/zinc/19/36/47/801193647.db2.gz MSKAGGHXCWQBDJ-NSHDSACASA-N 2 2 250.346 0.419 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[N@@H+](C)CC1(C)C ZINC001156597952 801193650 /nfs/dbraw/zinc/19/36/50/801193650.db2.gz MSKAGGHXCWQBDJ-NSHDSACASA-N 2 2 250.346 0.419 20 0 CCADLP COc1cnccc1[C@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C1CC1 ZINC001157082977 801296998 /nfs/dbraw/zinc/29/69/98/801296998.db2.gz RHZZVZDLZGMUMN-SCDSUCTJSA-N 2 2 290.367 0.347 20 0 CCADLP CC[C@@H](C[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1)OC ZINC001157264781 801334822 /nfs/dbraw/zinc/33/48/22/801334822.db2.gz JYOOADQVGKYNSQ-LBPRGKRZSA-N 2 2 282.388 0.863 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+]CC2(N(C)C)CC[NH+](C)CC2)C[NH2+]1 ZINC001246181715 807178927 /nfs/dbraw/zinc/17/89/27/807178927.db2.gz XCWYZIJWAZJLMF-KGLIPLIRSA-N 3 2 268.449 0.743 20 0 CCADLP C[C@@H]1CCCCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001157780768 801482688 /nfs/dbraw/zinc/48/26/88/801482688.db2.gz JJWORPSAUKMNAJ-PWSUYJOCSA-N 2 2 250.346 0.928 20 0 CCADLP C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)CCC1(F)F ZINC001157846045 801500440 /nfs/dbraw/zinc/50/04/40/801500440.db2.gz FXLMNZFUOVTCCS-NOOOWODRSA-N 2 2 287.354 0.830 20 0 CCADLP CN(C)c1nc(Cl)cc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001157910284 801516975 /nfs/dbraw/zinc/51/69/75/801516975.db2.gz AIGWLQMTZRPEQI-UHFFFAOYSA-N 2 2 297.794 0.790 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2nccc(NC3CC3)n2)CC1 ZINC001157910516 801517225 /nfs/dbraw/zinc/51/72/25/801517225.db2.gz ITWNQDJOQFKRPH-UHFFFAOYSA-N 2 2 275.360 0.645 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2c(Cl)nccc2C(N)=O)CC1 ZINC001157916337 801520510 /nfs/dbraw/zinc/52/05/10/801520510.db2.gz UPHVQHKXRRLPDR-UHFFFAOYSA-N 2 2 296.762 0.428 20 0 CCADLP C[C@@]1(F)CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C[C@@H]1F ZINC001157922798 801522586 /nfs/dbraw/zinc/52/25/86/801522586.db2.gz YMZYQMBCBXEALV-JBLDHEPKSA-N 2 2 272.299 0.578 20 0 CCADLP CC1(C)CN(C(=O)C2([NH3+])CC[NH2+]CC2)[C@](C)(CO)C1 ZINC001157926533 801523750 /nfs/dbraw/zinc/52/37/50/801523750.db2.gz QGYNUYHPTAVIAC-ZDUSSCGKSA-N 2 2 269.389 0.077 20 0 CCADLP [NH3+]C1(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)CC[NH2+]CC1 ZINC001157966963 801543429 /nfs/dbraw/zinc/54/34/29/801543429.db2.gz AIYMPPYKYMCWIG-CQSZACIVSA-N 3 2 288.395 0.240 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nc(Cl)ncc1Cl ZINC001158203926 801592345 /nfs/dbraw/zinc/59/23/45/801592345.db2.gz SVGMBAGEGWXRPB-ZCFIWIBFSA-N 2 2 288.138 0.831 20 0 CCADLP Cc1cccc2ncc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)nc12 ZINC001158204578 801592522 /nfs/dbraw/zinc/59/25/22/801592522.db2.gz RFJYKLPINARPHM-LLVKDONJSA-N 2 2 283.335 0.986 20 0 CCADLP CCOc1ccnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1 ZINC001158204909 801592786 /nfs/dbraw/zinc/59/27/86/801592786.db2.gz UXQUXKRXRWIDJU-SNVBAGLBSA-N 2 2 262.313 0.528 20 0 CCADLP Cc1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ncc1F ZINC001158204639 801592989 /nfs/dbraw/zinc/59/29/89/801592989.db2.gz SJPIVOBCEVVBBQ-SECBINFHSA-N 2 2 250.277 0.577 20 0 CCADLP CCN(CC)c1cncc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158206619 801594435 /nfs/dbraw/zinc/59/44/35/801594435.db2.gz WDHXKDNDFCJDNN-LLVKDONJSA-N 2 2 290.371 0.371 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cnc2c(n1)CCCC2 ZINC001158209196 801596136 /nfs/dbraw/zinc/59/61/36/801596136.db2.gz KMIBPAUUVRHVJE-SNVBAGLBSA-N 2 2 273.340 0.403 20 0 CCADLP [NH3+][C@H]1CC[N@@H+](C2CCN(c3cnc4cc[nH]c4n3)CC2)C1 ZINC001158257902 801606376 /nfs/dbraw/zinc/60/63/76/801606376.db2.gz LISLSOVCGIPNNA-NSHDSACASA-N 2 2 286.383 0.960 20 0 CCADLP [NH3+][C@H]1CC[N@H+](C2CCN(c3cnc4cc[nH]c4n3)CC2)C1 ZINC001158257902 801606379 /nfs/dbraw/zinc/60/63/79/801606379.db2.gz LISLSOVCGIPNNA-NSHDSACASA-N 2 2 286.383 0.960 20 0 CCADLP CCOc1cnc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)nc1 ZINC001158258579 801608380 /nfs/dbraw/zinc/60/83/80/801608380.db2.gz CSBSXLHRNNUUSL-GFCCVEGCSA-N 2 2 291.399 0.877 20 0 CCADLP CCOc1cnc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)nc1 ZINC001158258579 801608389 /nfs/dbraw/zinc/60/83/89/801608389.db2.gz CSBSXLHRNNUUSL-GFCCVEGCSA-N 2 2 291.399 0.877 20 0 CCADLP Cc1nc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)ncc1F ZINC001158260958 801608735 /nfs/dbraw/zinc/60/87/35/801608735.db2.gz ISCUXCLCCVDJLH-LLVKDONJSA-N 2 2 279.363 0.926 20 0 CCADLP Cc1nc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)ncc1F ZINC001158260958 801608739 /nfs/dbraw/zinc/60/87/39/801608739.db2.gz ISCUXCLCCVDJLH-LLVKDONJSA-N 2 2 279.363 0.926 20 0 CCADLP Nc1cccc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)[nH+]1 ZINC001158260199 801609251 /nfs/dbraw/zinc/60/92/51/801609251.db2.gz YBMZHUCUJWGIES-LLVKDONJSA-N 3 2 261.373 0.666 20 0 CCADLP Nc1cccc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)[nH+]1 ZINC001158260199 801609256 /nfs/dbraw/zinc/60/92/56/801609256.db2.gz YBMZHUCUJWGIES-LLVKDONJSA-N 3 2 261.373 0.666 20 0 CCADLP COCC[NH2+]CCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001158485966 801657357 /nfs/dbraw/zinc/65/73/57/801657357.db2.gz CHRUKYMHFNFIRN-UHFFFAOYSA-N 2 2 294.399 0.504 20 0 CCADLP CC(C)OCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC001278308366 806925971 /nfs/dbraw/zinc/92/59/71/806925971.db2.gz NMBFWSPBYCFRGC-QWHCGFSZSA-N 2 2 294.399 0.956 20 0 CCADLP Nc1nc(N2c3ccccc3OC[C@@H]2C[NH3+])cc[nH+]1 ZINC001160199577 801919173 /nfs/dbraw/zinc/91/91/73/801919173.db2.gz IHQKOTGTAKYJIR-VIFPVBQESA-N 2 2 257.297 0.917 20 0 CCADLP C[NH2+]CC1CCN(C(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)CC1 ZINC001160459031 801944367 /nfs/dbraw/zinc/94/43/67/801944367.db2.gz FEZQLLHHDPJEFS-HNNXBMFYSA-N 3 2 290.411 0.717 20 0 CCADLP O=C(N1CC[C@H](c2cccnc2)C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160525418 801962038 /nfs/dbraw/zinc/96/20/38/801962038.db2.gz ZGMOXNFCYJZJMC-SQWLQELKSA-N 2 2 286.379 0.349 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2CCC[C@@H](CCO)C2)cc1 ZINC001160610778 801982356 /nfs/dbraw/zinc/98/23/56/801982356.db2.gz LVXSWCKZKIZOOV-SWLSCSKDSA-N 2 2 291.395 0.880 20 0 CCADLP CCN(CC(=O)OC(C)(C)C)C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001160680818 801998544 /nfs/dbraw/zinc/99/85/44/801998544.db2.gz SHKCTHKJIWBUNC-UHFFFAOYSA-N 2 2 285.388 0.258 20 0 CCADLP CC(=O)OC[C@H]([NH3+])C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001160689829 802001653 /nfs/dbraw/zinc/00/16/53/802001653.db2.gz TZLFUJTXEGZJPZ-MNOVXSKESA-N 2 2 280.328 0.006 20 0 CCADLP CCN(CCn1cccn1)C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001160693032 802004017 /nfs/dbraw/zinc/00/40/17/802004017.db2.gz HOBHMZZLKXWFJB-GFCCVEGCSA-N 2 2 276.344 0.025 20 0 CCADLP CN(C[C@H]1CC1(C)C)C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001160711002 802008508 /nfs/dbraw/zinc/00/85/08/802008508.db2.gz QOMHEBSLNRPHQD-PWSUYJOCSA-N 2 2 264.373 0.794 20 0 CCADLP CC[C@H](C(=O)NCCC[NH2+][C@H](C)c1noc(C)n1)[NH+](C)C ZINC001160883607 802041621 /nfs/dbraw/zinc/04/16/21/802041621.db2.gz PJZNHIZJSMJTBQ-ZYHUDNBSSA-N 2 2 297.403 0.875 20 0 CCADLP C[C@@H](O)C[N@H+]1CC=C(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001161336134 802130973 /nfs/dbraw/zinc/13/09/73/802130973.db2.gz LOFXUEHKONKYBL-GFCCVEGCSA-N 2 2 292.383 0.471 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC=C(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001161336134 802130976 /nfs/dbraw/zinc/13/09/76/802130976.db2.gz LOFXUEHKONKYBL-GFCCVEGCSA-N 2 2 292.383 0.471 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[C@@H]([NH+]3CCC([NH3+])CC3)C2)C1 ZINC001161379350 802141777 /nfs/dbraw/zinc/14/17/77/802141777.db2.gz OFJIOPPDZCMYTC-BPLDGKMQSA-N 3 2 294.443 0.399 20 0 CCADLP CCCCOC(=O)[C@H]1CCN(C(=O)C2([NH3+])CC[NH2+]CC2)C1 ZINC001161460692 802157916 /nfs/dbraw/zinc/15/79/16/802157916.db2.gz NGHLABVZXANLBC-LBPRGKRZSA-N 2 2 297.399 0.259 20 0 CCADLP C[NH+](C)CCCCNc1[nH+]cnc2[nH]cc(C(N)=O)c21 ZINC001161728468 802208617 /nfs/dbraw/zinc/20/86/17/802208617.db2.gz KSYUWRJLWQQQOF-UHFFFAOYSA-N 2 2 276.344 0.762 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCCC[NH2+]Cc1coc(C)n1 ZINC001162606856 802376691 /nfs/dbraw/zinc/37/66/91/802376691.db2.gz YWSNZRMUTHNMFA-UHFFFAOYSA-N 2 2 291.355 0.784 20 0 CCADLP Nc1ccc(NCc2nnc3n2CCC[NH2+]C3)c[nH+]1 ZINC001163017269 802459955 /nfs/dbraw/zinc/45/99/55/802459955.db2.gz BSJTYMCFRMOFHA-UHFFFAOYSA-N 2 2 259.317 0.361 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCCC[NH2+]Cc1ccon1 ZINC001163044236 802467010 /nfs/dbraw/zinc/46/70/10/802467010.db2.gz PVVFSSVROVQPNN-UHFFFAOYSA-N 2 2 291.355 0.637 20 0 CCADLP COC[C@H](C)[NH2+]CCCNC(=O)CCc1[nH+]ccn1C ZINC001163051303 802468610 /nfs/dbraw/zinc/46/86/10/802468610.db2.gz VMHBHPWVJYGLEJ-LBPRGKRZSA-N 2 2 282.388 0.484 20 0 CCADLP CCN(C)c1cc(N[C@@H]2COCCC23C[NH2+]C3)[nH+]cn1 ZINC001163069998 802473077 /nfs/dbraw/zinc/47/30/77/802473077.db2.gz SIRIVPSMLZGJAX-LLVKDONJSA-N 2 2 277.372 0.723 20 0 CCADLP CCN(C)c1cc(N[C@@H]2COCCC23C[NH2+]C3)nc[nH+]1 ZINC001163069998 802473080 /nfs/dbraw/zinc/47/30/80/802473080.db2.gz SIRIVPSMLZGJAX-LLVKDONJSA-N 2 2 277.372 0.723 20 0 CCADLP Nc1cn2ccc(NC[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)cc2[nH+]1 ZINC001163101762 802482838 /nfs/dbraw/zinc/48/28/38/802482838.db2.gz UWOJLJJMDBBCRU-YUSALJHKSA-N 2 2 273.340 0.563 20 0 CCADLP COC(=O)[C@@H](C)c1ccc(NC[C@@]23C[NH2+][C@@H](CO2)C3)[nH+]c1 ZINC001163196971 802505133 /nfs/dbraw/zinc/50/51/33/802505133.db2.gz KJZLMFXGBWYAGN-JVLSTEMRSA-N 2 2 291.351 0.901 20 0 CCADLP C/C=C(\NC=[NH2+])[NH2+]C[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163269388 802526755 /nfs/dbraw/zinc/52/67/55/802526755.db2.gz KAXSOOJOHXFLDU-HMTSDGSESA-N 3 2 252.362 0.793 20 0 CCADLP CO[C@H](C)C[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163593331 802573991 /nfs/dbraw/zinc/57/39/91/802573991.db2.gz HJBJTTSPGYDNRL-GFCCVEGCSA-N 2 2 268.361 0.404 20 0 CCADLP Cc1cnc(N2CC[NH2+]CC(F)(F)C2)nc1C1C[NH2+]C1 ZINC001164502319 802750748 /nfs/dbraw/zinc/75/07/48/802750748.db2.gz OOZIQGOIRBKUIB-UHFFFAOYSA-N 2 2 283.326 0.517 20 0 CCADLP Cc1nc(N2CCOCC23C[NH2+]C3)c2c([nH+]1)CCC2 ZINC001165288395 802816365 /nfs/dbraw/zinc/81/63/65/802816365.db2.gz ISLULJYPCWALKY-UHFFFAOYSA-N 2 2 260.341 0.452 20 0 CCADLP CO[C@@H](C)C[NH2+]C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001203493905 803031141 /nfs/dbraw/zinc/03/11/41/803031141.db2.gz FUVLAQHQEPZEPL-NSHDSACASA-N 2 2 294.399 0.876 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC([NH2+]CCCF)CC1 ZINC001204076512 803063001 /nfs/dbraw/zinc/06/30/01/803063001.db2.gz ORYTXCMIPFKNGC-UHFFFAOYSA-N 2 2 268.336 0.823 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+](C[C@H]([NH3+])Cc2ccccc2)C1 ZINC001204597913 803094862 /nfs/dbraw/zinc/09/48/62/803094862.db2.gz CGFJEGFNHGLSGU-UONOGXRCSA-N 2 2 261.369 0.754 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+](C[C@H]([NH3+])Cc2ccccc2)C1 ZINC001204597913 803094868 /nfs/dbraw/zinc/09/48/68/803094868.db2.gz CGFJEGFNHGLSGU-UONOGXRCSA-N 2 2 261.369 0.754 20 0 CCADLP C[C@@H](O)[C@@H]([NH3+])c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001204835043 803103644 /nfs/dbraw/zinc/10/36/44/803103644.db2.gz SDGXJXGWVLDTEG-RDDDGLTNSA-N 2 2 275.312 0.158 20 0 CCADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001205182706 803124469 /nfs/dbraw/zinc/12/44/69/803124469.db2.gz IRWBRCPGNKNEIG-BXKDBHETSA-N 2 2 258.329 0.788 20 0 CCADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001205182706 803124473 /nfs/dbraw/zinc/12/44/73/803124473.db2.gz IRWBRCPGNKNEIG-BXKDBHETSA-N 2 2 258.329 0.788 20 0 CCADLP COC(=O)c1cnc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)cn1 ZINC001205273878 803132475 /nfs/dbraw/zinc/13/24/75/803132475.db2.gz QUGBWGLKAORQMI-AWEZNQCLSA-N 2 2 278.356 0.967 20 0 CCADLP COC(=O)c1cnc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cn1 ZINC001205273878 803132481 /nfs/dbraw/zinc/13/24/81/803132481.db2.gz QUGBWGLKAORQMI-AWEZNQCLSA-N 2 2 278.356 0.967 20 0 CCADLP COc1cc(C)cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1 ZINC001205958907 803192244 /nfs/dbraw/zinc/19/22/44/803192244.db2.gz GYPMURZYZNLPRO-ZIAGYGMSSA-N 2 2 250.342 0.898 20 0 CCADLP COc1cc(C)cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1 ZINC001205958907 803192245 /nfs/dbraw/zinc/19/22/45/803192245.db2.gz GYPMURZYZNLPRO-ZIAGYGMSSA-N 2 2 250.342 0.898 20 0 CCADLP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc2c1OCC=C2 ZINC001205985617 803196279 /nfs/dbraw/zinc/19/62/79/803196279.db2.gz YYTKLLUMKKWHFN-ZIAGYGMSSA-N 2 2 290.363 0.995 20 0 CCADLP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc2c1OCC=C2 ZINC001205985617 803196280 /nfs/dbraw/zinc/19/62/80/803196280.db2.gz YYTKLLUMKKWHFN-ZIAGYGMSSA-N 2 2 290.363 0.995 20 0 CCADLP Cn1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)n1 ZINC001206280773 803223743 /nfs/dbraw/zinc/22/37/43/803223743.db2.gz VASYULGQXMANJY-LSDHHAIUSA-N 2 2 277.416 0.630 20 0 CCADLP Cn1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)n1 ZINC001206280773 803223750 /nfs/dbraw/zinc/22/37/50/803223750.db2.gz VASYULGQXMANJY-LSDHHAIUSA-N 2 2 277.416 0.630 20 0 CCADLP C[C@@]1(C[NH3+])CCC[N@H+](Cc2cnc3n2CC[NH2+]C3)CC1 ZINC001206337941 803231080 /nfs/dbraw/zinc/23/10/80/803231080.db2.gz XBKKIHKNLTVVCG-OAHLLOKOSA-N 3 2 277.416 0.937 20 0 CCADLP C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cnc3n2CC[NH2+]C3)CC1 ZINC001206337941 803231083 /nfs/dbraw/zinc/23/10/83/803231083.db2.gz XBKKIHKNLTVVCG-OAHLLOKOSA-N 3 2 277.416 0.937 20 0 CCADLP COc1cccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1F ZINC001206476977 803250868 /nfs/dbraw/zinc/25/08/68/803250868.db2.gz ZPMIGJXDVJIOKR-WDEREUQCSA-N 2 2 254.305 0.586 20 0 CCADLP COc1cccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1F ZINC001206476977 803250875 /nfs/dbraw/zinc/25/08/75/803250875.db2.gz ZPMIGJXDVJIOKR-WDEREUQCSA-N 2 2 254.305 0.586 20 0 CCADLP CCOc1ccc(OC)cc1C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206530338 803261582 /nfs/dbraw/zinc/26/15/82/803261582.db2.gz FQUNMADXIWJCPD-JSGCOSHPSA-N 2 2 280.368 0.845 20 0 CCADLP CCOc1ccc(OC)cc1C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206530338 803261589 /nfs/dbraw/zinc/26/15/89/803261589.db2.gz FQUNMADXIWJCPD-JSGCOSHPSA-N 2 2 280.368 0.845 20 0 CCADLP C[NH+](C)CCN1CCC2(C[NH+](C[C@@H]3CCC[N@H+](C)C3)C2)C1 ZINC001276496872 803291926 /nfs/dbraw/zinc/29/19/26/803291926.db2.gz ARAAEZORISMEHE-MRXNPFEDSA-N 3 2 294.487 0.898 20 0 CCADLP C[NH+](C)CCN1CCC2(C[NH+](C[C@@H]3CCC[N@@H+](C)C3)C2)C1 ZINC001276496872 803291927 /nfs/dbraw/zinc/29/19/27/803291927.db2.gz ARAAEZORISMEHE-MRXNPFEDSA-N 3 2 294.487 0.898 20 0 CCADLP COCC[NH2+]CC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001206872794 803296706 /nfs/dbraw/zinc/29/67/06/803296706.db2.gz TZNPYJSOBDGTCQ-UHFFFAOYSA-N 2 2 294.399 0.437 20 0 CCADLP C[NH+]1CCN(C2CN(Cc3[nH+]cc4ccccn43)C2)CC1 ZINC001207055430 803341861 /nfs/dbraw/zinc/34/18/61/803341861.db2.gz XFBCMRIDMPILBP-UHFFFAOYSA-N 2 2 285.395 0.766 20 0 CCADLP CCc1nccc(C[N@H+](C)CCN2CC[NH+](C)CC2)n1 ZINC001207088312 803351061 /nfs/dbraw/zinc/35/10/61/803351061.db2.gz MPVABINLMOISTA-UHFFFAOYSA-N 2 2 277.416 0.718 20 0 CCADLP CCc1nccc(C[N@@H+](C)CCN2CC[NH+](C)CC2)n1 ZINC001207088312 803351068 /nfs/dbraw/zinc/35/10/68/803351068.db2.gz MPVABINLMOISTA-UHFFFAOYSA-N 2 2 277.416 0.718 20 0 CCADLP C[NH+]1CCN(C2C[NH+](C[C@H]3CCCCO3)C2)CC1 ZINC001207961766 803471907 /nfs/dbraw/zinc/47/19/07/803471907.db2.gz AWKITTZYGDZDHG-CQSZACIVSA-N 2 2 253.390 0.487 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@H]([NH2+]CCCO)C1 ZINC001208299447 803503306 /nfs/dbraw/zinc/50/33/06/803503306.db2.gz OHWDRZKSGMRGMR-ZDUSSCGKSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@H]([NH2+]CCCO)C1 ZINC001208299447 803503312 /nfs/dbraw/zinc/50/33/12/803503312.db2.gz OHWDRZKSGMRGMR-ZDUSSCGKSA-N 2 2 280.372 0.305 20 0 CCADLP CC(=O)N1CC[N@H+](C[C@H]2CCC[NH+](C)C2)[C@@H](C)C1 ZINC001208615897 803531208 /nfs/dbraw/zinc/53/12/08/803531208.db2.gz JOAIEPYDTUGLGA-JSGCOSHPSA-N 2 2 253.390 0.881 20 0 CCADLP CC(=O)N1CC[N@@H+](C[C@H]2CCC[NH+](C)C2)[C@@H](C)C1 ZINC001208615897 803531216 /nfs/dbraw/zinc/53/12/16/803531216.db2.gz JOAIEPYDTUGLGA-JSGCOSHPSA-N 2 2 253.390 0.881 20 0 CCADLP CC(=O)N1CC[NH+](C[C@H]2CCC[N@H+](C)C2)[C@@H](C)C1 ZINC001208615897 803531221 /nfs/dbraw/zinc/53/12/21/803531221.db2.gz JOAIEPYDTUGLGA-JSGCOSHPSA-N 2 2 253.390 0.881 20 0 CCADLP CC(=O)N1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)[C@@H](C)C1 ZINC001208615897 803531225 /nfs/dbraw/zinc/53/12/25/803531225.db2.gz JOAIEPYDTUGLGA-JSGCOSHPSA-N 2 2 253.390 0.881 20 0 CCADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](CCN1CCOCC1)C2 ZINC001209293712 803589598 /nfs/dbraw/zinc/58/95/98/803589598.db2.gz KPVGZSAXDQAQGE-ZIAGYGMSSA-N 2 2 253.390 0.202 20 0 CCADLP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](CCN1CCOCC1)C2 ZINC001209293712 803589599 /nfs/dbraw/zinc/58/95/99/803589599.db2.gz KPVGZSAXDQAQGE-ZIAGYGMSSA-N 2 2 253.390 0.202 20 0 CCADLP c1cn2c([nH+]1)CC[N@H+](CCN1CCOCC1)CC2 ZINC001209293364 803589896 /nfs/dbraw/zinc/58/98/96/803589896.db2.gz NNAVFZLZDNSCIL-UHFFFAOYSA-N 2 2 250.346 0.073 20 0 CCADLP c1cn2c([nH+]1)CC[N@@H+](CCN1CCOCC1)CC2 ZINC001209293364 803589901 /nfs/dbraw/zinc/58/99/01/803589901.db2.gz NNAVFZLZDNSCIL-UHFFFAOYSA-N 2 2 250.346 0.073 20 0 CCADLP CNC(=O)N[C@H]1CCC[N@H+](Cc2c[nH+]ccc2N)C1 ZINC001209732889 803626050 /nfs/dbraw/zinc/62/60/50/803626050.db2.gz MNAOPJWTYACRKF-NSHDSACASA-N 2 2 263.345 0.388 20 0 CCADLP CNC(=O)N[C@H]1CCC[N@@H+](Cc2c[nH+]ccc2N)C1 ZINC001209732889 803626052 /nfs/dbraw/zinc/62/60/52/803626052.db2.gz MNAOPJWTYACRKF-NSHDSACASA-N 2 2 263.345 0.388 20 0 CCADLP CCNC(=O)CO[C@H]1CCC[N@H+](Cc2c[nH+]ccc2N)C1 ZINC001209737611 803626820 /nfs/dbraw/zinc/62/68/20/803626820.db2.gz QCYFPOPTDQIVTD-ZDUSSCGKSA-N 2 2 292.383 0.611 20 0 CCADLP CCNC(=O)CO[C@H]1CCC[N@@H+](Cc2c[nH+]ccc2N)C1 ZINC001209737611 803626823 /nfs/dbraw/zinc/62/68/23/803626823.db2.gz QCYFPOPTDQIVTD-ZDUSSCGKSA-N 2 2 292.383 0.611 20 0 CCADLP CC(C)(C(=O)N1CCC[C@H]([NH2+]CCCO)C1)c1c[nH+]c[nH]1 ZINC001210667449 803657305 /nfs/dbraw/zinc/65/73/05/803657305.db2.gz GESIZYXRPBZJFS-LBPRGKRZSA-N 2 2 294.399 0.650 20 0 CCADLP CO[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213347849 803691891 /nfs/dbraw/zinc/69/18/91/803691891.db2.gz ATTQHSGAIBHQSJ-VXGBXAGGSA-N 2 2 275.368 0.113 20 0 CCADLP CO[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001213347849 803691894 /nfs/dbraw/zinc/69/18/94/803691894.db2.gz ATTQHSGAIBHQSJ-VXGBXAGGSA-N 2 2 275.368 0.113 20 0 CCADLP CN1CCN(C)[C@H](C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C1 ZINC000405307253 803873890 /nfs/dbraw/zinc/87/38/90/803873890.db2.gz MVVTUXYRZUDNAH-FRRDWIJNSA-N 2 2 252.406 0.092 20 0 CCADLP CCCNc1cc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)nc[nH+]1 ZINC000405326743 803875957 /nfs/dbraw/zinc/87/59/57/803875957.db2.gz XMJMTAWUPOZXLK-NWDGAFQWSA-N 2 2 277.372 0.554 20 0 CCADLP C[C@H]1C[NH+](CCc2nnc([C@@H]3C=CC[NH2+]3)o2)C[C@H](C)O1 ZINC001217718412 803904174 /nfs/dbraw/zinc/90/41/74/803904174.db2.gz WISCFAYXLXFFRG-SRVKXCTJSA-N 2 2 278.356 0.922 20 0 CCADLP C[C@H]1C[NH+](CCc2nnc([C@H]3[NH2+]CC[C@@H]3O)o2)C[C@H](C)O1 ZINC001217748625 803910245 /nfs/dbraw/zinc/91/02/45/803910245.db2.gz LDOQJMJWXKPFCK-ZPFDUUQYSA-N 2 2 296.371 0.117 20 0 CCADLP [NH3+][C@@H](CN1CCC([NH3+])CC1)c1nnc(C2CCOCC2)o1 ZINC001217757554 803912589 /nfs/dbraw/zinc/91/25/89/803912589.db2.gz NTZQJNYYXFSSPZ-LBPRGKRZSA-N 2 2 295.387 0.387 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OC[C@@H]2C[C@@H]3CC[NH2+]C[C@@H]3O2)C[N@@H+]1C ZINC001217887696 803924440 /nfs/dbraw/zinc/92/44/40/803924440.db2.gz JFHRHFPLJXXFSB-NDKCEZKHSA-N 2 2 298.383 0.016 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OC[C@@H]2C[C@@H]3CC[NH2+]C[C@@H]3O2)C[N@H+]1C ZINC001217887696 803924442 /nfs/dbraw/zinc/92/44/42/803924442.db2.gz JFHRHFPLJXXFSB-NDKCEZKHSA-N 2 2 298.383 0.016 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1nc2ccccc2s1 ZINC001218498669 803965737 /nfs/dbraw/zinc/96/57/37/803965737.db2.gz XWRDMGBPJORTJW-YUMQZZPRSA-N 2 2 262.338 0.782 20 0 CCADLP CC(C)(C)c1nnc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)o1 ZINC001218508272 803973717 /nfs/dbraw/zinc/97/37/17/803973717.db2.gz NCKIMQRBBPTTAL-QMMMGPOBSA-N 2 2 278.316 0.599 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ncnc2sccc21 ZINC001218515687 803979274 /nfs/dbraw/zinc/97/92/74/803979274.db2.gz UIACJRXMKIXWFQ-ZETCQYMHSA-N 2 2 251.315 0.306 20 0 CCADLP Cc1cc(O)cnc1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218519383 803982777 /nfs/dbraw/zinc/98/27/77/803982777.db2.gz YHRIRCNPISMDGB-UHFFFAOYSA-N 2 2 250.302 0.115 20 0 CCADLP Cc1nc(Cl)cc(NC(=O)C[NH2+]C2CC[NH2+]CC2)n1 ZINC001218523816 803984750 /nfs/dbraw/zinc/98/47/50/803984750.db2.gz GMIDAFFHLPUOFO-UHFFFAOYSA-N 2 2 283.763 0.719 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1nccnc1C1CC1 ZINC001218536716 803992789 /nfs/dbraw/zinc/99/27/89/803992789.db2.gz ZFCQPRNLDZBASQ-UHFFFAOYSA-N 2 2 275.356 0.634 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cc(C(F)(F)F)no1 ZINC001218561165 804007772 /nfs/dbraw/zinc/00/77/72/804007772.db2.gz XVMGWJOKJJOACX-LURJTMIESA-N 2 2 289.217 0.925 20 0 CCADLP Nc1cc[nH+]c(-c2cc(NC(=O)[C@]3(N)CC[NH2+]C3)ccn2)c1 ZINC001218613631 804033483 /nfs/dbraw/zinc/03/34/83/804033483.db2.gz SQRJUJUXZBHVGC-HNNXBMFYSA-N 2 2 298.350 0.355 20 0 CCADLP N[C@]1(C(=O)Nc2cc[nH+]c3c2CCC3)CCC[NH2+]C1 ZINC001218622297 804038171 /nfs/dbraw/zinc/03/81/71/804038171.db2.gz ZKYXOPFHIXXQOK-CQSZACIVSA-N 2 2 260.341 0.012 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1nsc2ncccc12 ZINC001218651419 804060179 /nfs/dbraw/zinc/06/01/79/804060179.db2.gz KDXWOFQQZHKOEC-VIFPVBQESA-N 2 2 288.336 0.923 20 0 CCADLP CCc1ccc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)cn1 ZINC001218652256 804061985 /nfs/dbraw/zinc/06/19/85/804061985.db2.gz IXTYBGQDZDZUKY-ZDUSSCGKSA-N 2 2 273.340 0.886 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cnc3ccccc3n2)C1 ZINC001218653458 804065322 /nfs/dbraw/zinc/06/53/22/804065322.db2.gz SKEFGKYMAWBBQI-KCJUWKMLSA-N 2 2 257.297 0.258 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cc(=O)n(-c2ccccc2)[nH]1 ZINC001218662657 804071315 /nfs/dbraw/zinc/07/13/15/804071315.db2.gz CBOZWWHDTPNYGF-JTQLQIEISA-N 2 2 275.312 0.193 20 0 CCADLP Cc1nnc2cc(NC(=O)[C@H]([NH3+])Cc3c[nH+]c[nH]3)ccn12 ZINC001218700403 804084874 /nfs/dbraw/zinc/08/48/74/804084874.db2.gz YMQMKKWYGRPQNV-LLVKDONJSA-N 2 2 285.311 0.269 20 0 CCADLP COc1cc(Cl)ncc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218757247 804113012 /nfs/dbraw/zinc/11/30/12/804113012.db2.gz PVWKIDBBPPTIAA-QMMMGPOBSA-N 2 2 295.730 0.975 20 0 CCADLP COc1cc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)c(C)cn1 ZINC001218791832 804123058 /nfs/dbraw/zinc/12/30/58/804123058.db2.gz OZRMWBJOUHXSOP-NSHDSACASA-N 2 2 289.339 0.641 20 0 CCADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1C[NH2+]C[C@H]1O ZINC001218812722 804131106 /nfs/dbraw/zinc/13/11/06/804131106.db2.gz XOFNPXPKXPHMQM-QWHCGFSZSA-N 2 2 272.308 0.391 20 0 CCADLP CC(C)OC(=O)c1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc1 ZINC001218844657 804138558 /nfs/dbraw/zinc/13/85/58/804138558.db2.gz RJQCBHZRMVXJCT-STQMWFEESA-N 2 2 291.351 0.737 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1cccc2n[nH]cc21 ZINC001218893657 804149616 /nfs/dbraw/zinc/14/96/16/804149616.db2.gz BTUQGIYTBMVUCO-NSHDSACASA-N 2 2 284.323 0.805 20 0 CCADLP [NH3+]C1(C(=O)Nc2ccc(C3OCCO3)cc2)CC[NH2+]CC1 ZINC001218910077 804154560 /nfs/dbraw/zinc/15/45/60/804154560.db2.gz DLFLPEMXXNOKJY-UHFFFAOYSA-N 2 2 291.351 0.751 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)CCCC(=O)N2 ZINC001219015126 804181878 /nfs/dbraw/zinc/18/18/78/804181878.db2.gz ITUGDAIDRIBRGZ-NSHDSACASA-N 2 2 276.340 0.576 20 0 CCADLP C[NH+](C)CCc1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc1 ZINC001219022810 804183823 /nfs/dbraw/zinc/18/38/23/804183823.db2.gz UYBJAKZFESKRRW-KBPBESRZSA-N 3 2 276.384 0.276 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1ccc(CO)cc1 ZINC001219049124 804185268 /nfs/dbraw/zinc/18/52/68/804185268.db2.gz ZTIXUHIELWRISB-UHFFFAOYSA-N 2 2 263.341 0.459 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc(Cl)c2nsnc21 ZINC001219165746 804225053 /nfs/dbraw/zinc/22/50/53/804225053.db2.gz GTFXWBUWZROMSW-LURJTMIESA-N 2 2 285.760 0.959 20 0 CCADLP Cc1cccnc1CCCNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001219571166 804353849 /nfs/dbraw/zinc/35/38/49/804353849.db2.gz DAFVJFPBUDZNLC-UHFFFAOYSA-N 2 2 276.384 0.520 20 0 CCADLP Cc1ncc(CNC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)s1 ZINC001219595538 804364192 /nfs/dbraw/zinc/36/41/92/804364192.db2.gz DYSLSNVKJNUADZ-SNVBAGLBSA-N 2 2 265.342 0.361 20 0 CCADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000313231965 804388446 /nfs/dbraw/zinc/38/84/46/804388446.db2.gz OGLTUUGTGQWBOW-ZYHUDNBSSA-N 2 2 250.346 0.467 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001219815174 804427509 /nfs/dbraw/zinc/42/75/09/804427509.db2.gz UKMGKULZVAUVQV-ZNMIVQPWSA-N 3 2 299.378 0.499 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)c1ccc([C@@H](N)C[NH3+])cc1 ZINC001219934742 804451925 /nfs/dbraw/zinc/45/19/25/804451925.db2.gz KMJKYMPZWSTXFN-AWEZNQCLSA-N 2 2 287.367 0.580 20 0 CCADLP C[NH+](C)Cc1cccc(CNC(=O)C2([NH3+])CC[NH2+]CC2)c1 ZINC001219943466 804453300 /nfs/dbraw/zinc/45/33/00/804453300.db2.gz JUBBPMRIFRANJF-UHFFFAOYSA-N 3 2 290.411 0.445 20 0 CCADLP CNc1ccc(CNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)cc1 ZINC001219954050 804457782 /nfs/dbraw/zinc/45/77/82/804457782.db2.gz BDBTUPABUAYJBH-DOMZBBRYSA-N 2 2 274.368 0.296 20 0 CCADLP O=C(NCc1nccc2ccccc21)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220046777 804483531 /nfs/dbraw/zinc/48/35/31/804483531.db2.gz DANPAWONBFAXSO-AEGPPILISA-N 2 2 296.374 0.801 20 0 CCADLP CCCCOC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001220049776 804485682 /nfs/dbraw/zinc/48/56/82/804485682.db2.gz RDHFDINSPFKNOT-JQWIXIFHSA-N 2 2 296.371 0.138 20 0 CCADLP O=C(NCc1ccc2c(c1)CCO2)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220067340 804494050 /nfs/dbraw/zinc/49/40/50/804494050.db2.gz KEFIRWBHCJJNRJ-CZUORRHYSA-N 2 2 287.363 0.189 20 0 CCADLP CC1(C)C[C@@H](NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CCO1 ZINC001220218736 804539799 /nfs/dbraw/zinc/53/97/99/804539799.db2.gz DBNFREVYBPXARE-GXSJLCMTSA-N 2 2 266.345 0.353 20 0 CCADLP COC1CCC(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001220221176 804542143 /nfs/dbraw/zinc/54/21/43/804542143.db2.gz UEJXBKOEGQFPNK-QEWOUOOISA-N 2 2 266.345 0.353 20 0 CCADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001220331630 804574040 /nfs/dbraw/zinc/57/40/40/804574040.db2.gz AHPAUJPWUYSYSK-CQSZACIVSA-N 3 2 296.459 0.565 20 0 CCADLP CCCCC(=O)[C@H](C)NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220371576 804583540 /nfs/dbraw/zinc/58/35/40/804583540.db2.gz WPKOXIVOEWADKO-FIQHERPVSA-N 2 2 267.373 0.200 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NCC2(O)CCC2)cc1 ZINC001220383562 804589396 /nfs/dbraw/zinc/58/93/96/804589396.db2.gz AYLMDEGIYSNNAN-LBPRGKRZSA-N 2 2 263.341 0.290 20 0 CCADLP CC(C)[N@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001220520025 804619106 /nfs/dbraw/zinc/61/91/06/804619106.db2.gz KSLVZDFOLACSIB-RTXFEEFZSA-N 2 2 280.372 0.158 20 0 CCADLP CC(C)[N@@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001220520025 804619110 /nfs/dbraw/zinc/61/91/10/804619110.db2.gz KSLVZDFOLACSIB-RTXFEEFZSA-N 2 2 280.372 0.158 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1COCc2ccccc21 ZINC001220655824 804642043 /nfs/dbraw/zinc/64/20/43/804642043.db2.gz GYLCZHUKEGAEQV-KBPBESRZSA-N 2 2 286.335 0.667 20 0 CCADLP O=C(NCc1ccc2ocnc2c1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220678719 804646848 /nfs/dbraw/zinc/64/68/48/804646848.db2.gz JNANTHTZDYKTPJ-XHDPSFHLSA-N 2 2 286.335 0.396 20 0 CCADLP CCOC(=O)[C@@H](C)CNC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220848731 804680503 /nfs/dbraw/zinc/68/05/03/804680503.db2.gz HBVFADRVPVRMQP-GXFFZTMASA-N 2 2 293.367 0.574 20 0 CCADLP O=C(NCc1cc2ccncc2[nH]1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220868860 804685122 /nfs/dbraw/zinc/68/51/22/804685122.db2.gz XLFNMNVKVOHAAU-VHRBIJSZSA-N 2 2 285.351 0.129 20 0 CCADLP O=C(NC[C@@H]1CCc2ccccc21)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221100065 804729868 /nfs/dbraw/zinc/72/98/68/804729868.db2.gz BQYNBORHARHSCG-JJRVBVJISA-N 2 2 285.391 0.784 20 0 CCADLP COc1ccccc1CC(C)(C)NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001221168408 804739078 /nfs/dbraw/zinc/73/90/78/804739078.db2.gz LMGZQGRXMMOBSQ-STQMWFEESA-N 2 2 291.395 0.679 20 0 CCADLP CC(C)CN(C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001221187808 804742701 /nfs/dbraw/zinc/74/27/01/804742701.db2.gz GHSZVKGZNFTBSZ-SYQHCUMBSA-N 3 2 282.432 0.430 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H](O)c1cc2ccccc2o1 ZINC001221328593 804777278 /nfs/dbraw/zinc/77/72/78/804777278.db2.gz AUGBROBSMIRZFH-SRVKXCTJSA-N 2 2 289.335 0.129 20 0 CCADLP CCCC(C[NH3+])(CCC)NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001221368368 804789951 /nfs/dbraw/zinc/78/99/51/804789951.db2.gz BAURFKVXOPUNRW-GFCCVEGCSA-N 3 2 281.404 0.693 20 0 CCADLP CC(C)N(C(=O)C1([NH3+])CC[NH2+]CC1)C(C)(C)C[NH3+] ZINC001221394886 804800199 /nfs/dbraw/zinc/80/01/99/804800199.db2.gz WXCWHYWKCARXHA-UHFFFAOYSA-N 3 2 256.394 0.042 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)[C@H](C)C1 ZINC001221407395 804807930 /nfs/dbraw/zinc/80/79/30/804807930.db2.gz LOSGXZGPRIXLRT-PAURTPPISA-N 3 2 294.443 0.443 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)[C@H](C)C1 ZINC001221407395 804807936 /nfs/dbraw/zinc/80/79/36/804807936.db2.gz LOSGXZGPRIXLRT-PAURTPPISA-N 3 2 294.443 0.443 20 0 CCADLP COC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001221408920 804811120 /nfs/dbraw/zinc/81/11/20/804811120.db2.gz SFDRCWIUNOUKLI-GRYCIOLGSA-N 2 2 285.388 0.112 20 0 CCADLP COC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001221408920 804811125 /nfs/dbraw/zinc/81/11/25/804811125.db2.gz SFDRCWIUNOUKLI-GRYCIOLGSA-N 2 2 285.388 0.112 20 0 CCADLP COc1ncc(CN2CC[NH2+]C3(CC[NH2+]CC3)C2)s1 ZINC001222091044 804866360 /nfs/dbraw/zinc/86/63/60/804866360.db2.gz NJEDPDOIYVRHET-UHFFFAOYSA-N 2 2 282.413 0.679 20 0 CCADLP Cc1scnc1CN1CC[NH2+]C2(CC[NH2+]CC2)C1 ZINC001222099331 804868497 /nfs/dbraw/zinc/86/84/97/804868497.db2.gz AIWAFFNNAUETLV-UHFFFAOYSA-N 2 2 266.414 0.979 20 0 CCADLP CC1(C)OC[C@H](C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)O1 ZINC001222492520 804905775 /nfs/dbraw/zinc/90/57/75/804905775.db2.gz ZHHUWUYDPXHHOJ-AVGNSLFASA-N 2 2 269.389 0.164 20 0 CCADLP CC1(C)OC[C@H](C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)O1 ZINC001222492520 804905779 /nfs/dbraw/zinc/90/57/79/804905779.db2.gz ZHHUWUYDPXHHOJ-AVGNSLFASA-N 2 2 269.389 0.164 20 0 CCADLP COCC[NH2+]CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1n1cncn1 ZINC000423331124 804975946 /nfs/dbraw/zinc/97/59/46/804975946.db2.gz MMVNMWUJTPDLPA-MCIONIFRSA-N 2 2 281.404 0.833 20 0 CCADLP COC[C@H](C)[NH+]1CCC(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001224672916 805068032 /nfs/dbraw/zinc/06/80/32/805068032.db2.gz NYENQNPKCQKFMM-LBPRGKRZSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC[NH+](CCO)CC1 ZINC001229559537 805543014 /nfs/dbraw/zinc/54/30/14/805543014.db2.gz YAKPGNJDSITEEX-NSHDSACASA-N 2 2 280.372 0.161 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC[NH+](CCO)CC1 ZINC001229559537 805543020 /nfs/dbraw/zinc/54/30/20/805543020.db2.gz YAKPGNJDSITEEX-NSHDSACASA-N 2 2 280.372 0.161 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC001245980207 807105144 /nfs/dbraw/zinc/10/51/44/807105144.db2.gz HGKGNDYUUWJPCC-HRCADAONSA-N 3 2 277.412 0.507 20 0 CCADLP CC(C)[C@@H](O)C[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001245987462 807108038 /nfs/dbraw/zinc/10/80/38/807108038.db2.gz SCHNUVPTVYMCPM-STQMWFEESA-N 3 2 255.406 0.467 20 0 CCADLP O[C@H](C[NH2+][C@H]1C[NH2+]CC12CC2)COCc1ccco1 ZINC001245986748 807108687 /nfs/dbraw/zinc/10/86/87/807108687.db2.gz QEQZNHRAQJPHLE-YPMHNXCESA-N 2 2 266.341 0.499 20 0 CCADLP N[C@]1(C(F)(F)F)CC[N@H+](C[C@]2(O)CCC[NH2+]C2)C1 ZINC001246032736 807128297 /nfs/dbraw/zinc/12/82/97/807128297.db2.gz SQVBTIZZNAFSIW-VHSXEESVSA-N 2 2 267.295 0.066 20 0 CCADLP N[C@]1(C(F)(F)F)CC[N@@H+](C[C@]2(O)CCC[NH2+]C2)C1 ZINC001246032736 807128300 /nfs/dbraw/zinc/12/83/00/807128300.db2.gz SQVBTIZZNAFSIW-VHSXEESVSA-N 2 2 267.295 0.066 20 0 CCADLP COc1ccc(OC[C@H](O)C[NH+]2CC(C)(C[NH3+])C2)cc1 ZINC001246033378 807128348 /nfs/dbraw/zinc/12/83/48/807128348.db2.gz LFJRZYOGDFEIBZ-GFCCVEGCSA-N 2 2 280.368 0.716 20 0 CCADLP CCCOC[C@@H](O)C[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246036249 807129786 /nfs/dbraw/zinc/12/97/86/807129786.db2.gz TXEQWFLKSVXEJX-KBPBESRZSA-N 2 2 256.390 0.992 20 0 CCADLP CCCOC[C@@H](O)C[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246036249 807129791 /nfs/dbraw/zinc/12/97/91/807129791.db2.gz TXEQWFLKSVXEJX-KBPBESRZSA-N 2 2 256.390 0.992 20 0 CCADLP COc1ccccc1OC[C@@H](O)C[N@H+](C)C[C@H](C)[NH3+] ZINC001246055317 807135268 /nfs/dbraw/zinc/13/52/68/807135268.db2.gz ADXJHPBMNHOCQB-RYUDHWBXSA-N 2 2 268.357 0.714 20 0 CCADLP COc1ccccc1OC[C@@H](O)C[N@@H+](C)C[C@H](C)[NH3+] ZINC001246055317 807135273 /nfs/dbraw/zinc/13/52/73/807135273.db2.gz ADXJHPBMNHOCQB-RYUDHWBXSA-N 2 2 268.357 0.714 20 0 CCADLP COc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC001246069747 807140106 /nfs/dbraw/zinc/14/01/06/807140106.db2.gz ZIIJKDXLMIWBAB-CHWSQXEVSA-N 2 2 280.368 0.858 20 0 CCADLP COc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC001246069747 807140108 /nfs/dbraw/zinc/14/01/08/807140108.db2.gz ZIIJKDXLMIWBAB-CHWSQXEVSA-N 2 2 280.368 0.858 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](C[C@@H](O)CCOCc2ccccc2)C1 ZINC001246067650 807140329 /nfs/dbraw/zinc/14/03/29/807140329.db2.gz FQNODBBCVCKKDC-CABCVRRESA-N 2 2 264.369 0.987 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](C[C@@H](O)CCOCc2ccccc2)C1 ZINC001246067650 807140333 /nfs/dbraw/zinc/14/03/33/807140333.db2.gz FQNODBBCVCKKDC-CABCVRRESA-N 2 2 264.369 0.987 20 0 CCADLP C([NH2+]C1CCC2(C[NH2+]C2)CC1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246152427 807168716 /nfs/dbraw/zinc/16/87/16/807168716.db2.gz YPCCIBUOUNTOQM-OAHLLOKOSA-N 4 2 292.471 0.982 20 0 CCADLP COC(=O)[C@H](CCCC[NH3+])[NH2+]C1C[C@@H]2COC[C@H](C1)N2C ZINC001246154653 807170376 /nfs/dbraw/zinc/17/03/76/807170376.db2.gz ZRZFIXVNSGUKME-GSPSYOTPSA-N 2 2 299.415 0.108 20 0 CCADLP COc1cccc(C[C@H](CO)[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC001246273810 807204348 /nfs/dbraw/zinc/20/43/48/807204348.db2.gz WBZQPUCGFCYGBG-ZIAGYGMSSA-N 2 2 264.369 0.940 20 0 CCADLP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246299668 807212660 /nfs/dbraw/zinc/21/26/60/807212660.db2.gz MTIVKUPCBDRRDU-IXYNUQLISA-N 3 2 295.427 0.649 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@@H]1[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001246312807 807218362 /nfs/dbraw/zinc/21/83/62/807218362.db2.gz YWYXYAQLIJIUNM-QEJZJMRPSA-N 2 2 264.344 0.853 20 0 CCADLP C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2-n2cnnn2)C[NH2+]1 ZINC001246320068 807221233 /nfs/dbraw/zinc/22/12/33/807221233.db2.gz ZIMCUPKMOBWWKN-WCQYABFASA-N 2 2 272.356 0.892 20 0 CCADLP C[C@@H]1CC[C@H](N[C@]2(C[NH3+])C[NH+]3CCC2CC3)C[NH2+]1 ZINC001246326502 807222664 /nfs/dbraw/zinc/22/26/64/807222664.db2.gz PMRCFPHKOFQGIS-KWCYVHTRSA-N 3 2 252.406 0.140 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H](NC[C@H]([NH3+])C(C)C)C[NH2+]1 ZINC001246331128 807224037 /nfs/dbraw/zinc/22/40/37/807224037.db2.gz IGSVCULYQZBUJV-GMXVVIOVSA-N 2 2 257.378 0.243 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2N2CCOCC2)C[NH2+]1 ZINC001246338022 807226603 /nfs/dbraw/zinc/22/66/03/807226603.db2.gz WAIQBHBLWHKFFL-LXTVHRRPSA-N 2 2 267.417 0.970 20 0 CCADLP CCCCCCOC(=O)C[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246350662 807229874 /nfs/dbraw/zinc/22/98/74/807229874.db2.gz NPWJKYMHTWTXGN-ZDUSSCGKSA-N 2 2 283.416 0.794 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(c3ccncn3)C2)C[NH2+]1 ZINC001246370886 807237955 /nfs/dbraw/zinc/23/79/55/807237955.db2.gz SXIYDNVDYJSIHZ-FRRDWIJNSA-N 2 2 261.373 0.785 20 0 CCADLP C[C@H]1CC[C@H]([NH2+][C@@H]2CCN(c3ccncn3)C2)C[NH2+]1 ZINC001246370892 807238040 /nfs/dbraw/zinc/23/80/40/807238040.db2.gz SXIYDNVDYJSIHZ-RWMBFGLXSA-N 2 2 261.373 0.785 20 0 CCADLP COCCC1([NH2+][C@H]2CCC[NH2+]C2)CCS(=O)(=O)CC1 ZINC001246392331 807240384 /nfs/dbraw/zinc/24/03/84/807240384.db2.gz RWBCRZDXLBJHOK-LBPRGKRZSA-N 2 2 290.429 0.312 20 0 CCADLP CCC1([NH2+][C@H]2CCC[NH2+]C2)CCS(=O)(=O)CC1 ZINC001246389354 807240619 /nfs/dbraw/zinc/24/06/19/807240619.db2.gz GWHDRQBLFUSXEX-NSHDSACASA-N 2 2 260.403 0.685 20 0 CCADLP CCOC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](CCC[NH3+])C(=O)OC)C1 ZINC001246400220 807242350 /nfs/dbraw/zinc/24/23/50/807242350.db2.gz DVJCDPQRMTVCCF-TUAOUCFPSA-N 2 2 286.372 0.588 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H](NC[C@H]2C[NH2+]CC(C)(C)O2)C[NH2+]1 ZINC001246414905 807247002 /nfs/dbraw/zinc/24/70/02/807247002.db2.gz UZFBTZOKDPOHDP-YWPYICTPSA-N 2 2 299.415 0.027 20 0 CCADLP CCOC(=O)[C@@H]([NH3+])Cc1cn(C2CC[NH2+]CC2)cn1 ZINC001246514877 807270543 /nfs/dbraw/zinc/27/05/43/807270543.db2.gz AIZJMRIWKWJFRR-LBPRGKRZSA-N 2 2 266.345 0.241 20 0 CCADLP C[C@H]1CC[C@@H]([NH+]2CCC3(CNC(=O)C3)CC2)C[NH2+]1 ZINC001246524451 807273650 /nfs/dbraw/zinc/27/36/50/807273650.db2.gz QXIMQPHKHRCULF-NWDGAFQWSA-N 2 2 251.374 0.729 20 0 CCADLP C[C@@H]1C[N@@H+]([C@@H]2CCN[C@H](C(F)(F)F)C2)C[C@H]1[NH3+] ZINC001246568089 807294783 /nfs/dbraw/zinc/29/47/83/807294783.db2.gz PXBLGFZBZXFBGG-KYXWUPHJSA-N 2 2 251.296 0.948 20 0 CCADLP C[C@@H]1C[N@H+]([C@@H]2CCN[C@H](C(F)(F)F)C2)C[C@H]1[NH3+] ZINC001246568089 807294788 /nfs/dbraw/zinc/29/47/88/807294788.db2.gz PXBLGFZBZXFBGG-KYXWUPHJSA-N 2 2 251.296 0.948 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H]([N@@H+]2C[C@H](C[NH3+])CC[C@@H]2C)CN1 ZINC001246590069 807310593 /nfs/dbraw/zinc/31/05/93/807310593.db2.gz IDXIJYPGIGCHKH-PWNZVWSESA-N 2 2 283.416 0.729 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H]([N@H+]2C[C@H](C[NH3+])CC[C@@H]2C)CN1 ZINC001246590069 807310601 /nfs/dbraw/zinc/31/06/01/807310601.db2.gz IDXIJYPGIGCHKH-PWNZVWSESA-N 2 2 283.416 0.729 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CCN1 ZINC001246589684 807311713 /nfs/dbraw/zinc/31/17/13/807311713.db2.gz TVIZPQRUNYEZRW-KKOKHZNYSA-N 2 2 273.352 0.041 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CCN1 ZINC001246589684 807311722 /nfs/dbraw/zinc/31/17/22/807311722.db2.gz TVIZPQRUNYEZRW-KKOKHZNYSA-N 2 2 273.352 0.041 20 0 CCADLP CC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246791956 807381287 /nfs/dbraw/zinc/38/12/87/807381287.db2.gz ZIMUZAIWHJWVHW-KGLIPLIRSA-N 2 2 283.416 0.696 20 0 CCADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246791956 807381293 /nfs/dbraw/zinc/38/12/93/807381293.db2.gz ZIMUZAIWHJWVHW-KGLIPLIRSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H]1CC[C@H]([NH+]2CCC3(CNC(=O)N3)CC2)C[NH2+]1 ZINC001246913833 807427285 /nfs/dbraw/zinc/42/72/85/807427285.db2.gz HPSKYLBTARDVHR-QWRGUYRKSA-N 2 2 252.362 0.274 20 0 CCADLP C1[C@H]2C[NH2+]C[C@H]2[N@@H+]1C1CCC2(CC1)C[NH2+]CCO2 ZINC001246923266 807428338 /nfs/dbraw/zinc/42/83/38/807428338.db2.gz XLHCRLHMZSWMIO-NELGMTEASA-N 3 2 251.374 0.191 20 0 CCADLP C1[C@H]2C[NH2+]C[C@H]2[N@H+]1C1CCC2(CC1)C[NH2+]CCO2 ZINC001246923266 807428340 /nfs/dbraw/zinc/42/83/40/807428340.db2.gz XLHCRLHMZSWMIO-NELGMTEASA-N 3 2 251.374 0.191 20 0 CCADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246927503 807429744 /nfs/dbraw/zinc/42/97/44/807429744.db2.gz WLTFUNXGNOJMAZ-OLZOCXBDSA-N 2 2 280.372 0.499 20 0 CCADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CC[C@@H](C(=O)OC)NC1 ZINC001246927503 807429748 /nfs/dbraw/zinc/42/97/48/807429748.db2.gz WLTFUNXGNOJMAZ-OLZOCXBDSA-N 2 2 280.372 0.499 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C2C[C@H](C)O[C@@H](C)C2)C[C@@H]1[NH3+] ZINC001246932509 807434410 /nfs/dbraw/zinc/43/44/10/807434410.db2.gz PRKDCEPSFOZFCS-XPXLGCRWSA-N 2 2 256.346 0.375 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C2C[C@H](C)O[C@@H](C)C2)C[C@@H]1[NH3+] ZINC001246932509 807434416 /nfs/dbraw/zinc/43/44/16/807434416.db2.gz PRKDCEPSFOZFCS-XPXLGCRWSA-N 2 2 256.346 0.375 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([N@H+](C)C[C@@H]([NH3+])CC)CN1 ZINC001246973100 807443416 /nfs/dbraw/zinc/44/34/16/807443416.db2.gz HNXHUOXJMPQUSL-SRVKXCTJSA-N 2 2 257.378 0.339 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([N@@H+](C)C[C@@H]([NH3+])CC)CN1 ZINC001246973100 807443420 /nfs/dbraw/zinc/44/34/20/807443420.db2.gz HNXHUOXJMPQUSL-SRVKXCTJSA-N 2 2 257.378 0.339 20 0 CCADLP COc1ccnc(-c2noc(C[C@@H]([NH3+])C[NH3+])n2)c1F ZINC001249128384 807544328 /nfs/dbraw/zinc/54/43/28/807544328.db2.gz JGXFFMOCBVZVHP-ZCFIWIBFSA-N 2 2 267.264 0.108 20 0 CCADLP COc1ccc(-c2noc(C[C@@H]([NH3+])C[NH3+])n2)c(OC)c1 ZINC001249130206 807544349 /nfs/dbraw/zinc/54/43/49/807544349.db2.gz XZRTWCSGSACJBR-MRVPVSSYSA-N 2 2 278.312 0.582 20 0 CCADLP C[NH+]1CCC(CO)([NH2+]C[C@H](O)c2ccccc2)CC1 ZINC001252014971 807761029 /nfs/dbraw/zinc/76/10/29/807761029.db2.gz LPBLMFSHBFJEII-AWEZNQCLSA-N 2 2 264.369 0.766 20 0 CCADLP CCOC[C@H](O)C[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001252024628 807764252 /nfs/dbraw/zinc/76/42/52/807764252.db2.gz PAIHWLAOGWYQOS-BFHYXJOUSA-N 2 2 272.389 0.036 20 0 CCADLP CCOC[C@H](O)C[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001252024628 807764255 /nfs/dbraw/zinc/76/42/55/807764255.db2.gz PAIHWLAOGWYQOS-BFHYXJOUSA-N 2 2 272.389 0.036 20 0 CCADLP CCOC[C@H](O)C[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001252024628 807764259 /nfs/dbraw/zinc/76/42/59/807764259.db2.gz PAIHWLAOGWYQOS-BFHYXJOUSA-N 2 2 272.389 0.036 20 0 CCADLP CCOC[C@H](O)C[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001252024628 807764261 /nfs/dbraw/zinc/76/42/61/807764261.db2.gz PAIHWLAOGWYQOS-BFHYXJOUSA-N 2 2 272.389 0.036 20 0 CCADLP OC[C@@H](O)C[N@@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001252060153 807783252 /nfs/dbraw/zinc/78/32/52/807783252.db2.gz VRJFWSQJFITODD-HRCADAONSA-N 2 2 298.427 0.162 20 0 CCADLP OC[C@@H](O)C[N@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001252060153 807783257 /nfs/dbraw/zinc/78/32/57/807783257.db2.gz VRJFWSQJFITODD-HRCADAONSA-N 2 2 298.427 0.162 20 0 CCADLP OC[C@@H](O)C[NH+]1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001252060153 807783260 /nfs/dbraw/zinc/78/32/60/807783260.db2.gz VRJFWSQJFITODD-HRCADAONSA-N 2 2 298.427 0.162 20 0 CCADLP OC[C@@H](O)C[NH+]1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001252060153 807783265 /nfs/dbraw/zinc/78/32/65/807783265.db2.gz VRJFWSQJFITODD-HRCADAONSA-N 2 2 298.427 0.162 20 0 CCADLP O[C@@]1(C[NH2+]CCN2CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252949467 807987706 /nfs/dbraw/zinc/98/77/06/807987706.db2.gz NUVINLYQQZZUCD-QGZVFWFLSA-N 2 2 289.423 0.919 20 0 CCADLP O[C@@]1(C[NH2+]CCN2CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252949467 807987709 /nfs/dbraw/zinc/98/77/09/807987709.db2.gz NUVINLYQQZZUCD-QGZVFWFLSA-N 2 2 289.423 0.919 20 0 CCADLP O[C@@]1(CNCC[NH+]2CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC001252949467 807987712 /nfs/dbraw/zinc/98/77/12/807987712.db2.gz NUVINLYQQZZUCD-QGZVFWFLSA-N 2 2 289.423 0.919 20 0 CCADLP O[C@@]1(CNCC[NH+]2CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252949467 807987715 /nfs/dbraw/zinc/98/77/15/807987715.db2.gz NUVINLYQQZZUCD-QGZVFWFLSA-N 2 2 289.423 0.919 20 0 CCADLP CC[NH+](CC)C[C@H](O)CN1CCn2c[nH+]cc2C1 ZINC001253187681 808022212 /nfs/dbraw/zinc/02/22/12/808022212.db2.gz HSHNEYVMNWBROV-ZDUSSCGKSA-N 2 2 252.362 0.401 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCc2ccc(=O)[nH]c2CC1 ZINC001253188034 808023878 /nfs/dbraw/zinc/02/38/78/808023878.db2.gz NRFBMEHFANEAIE-AWEZNQCLSA-N 2 2 293.411 0.891 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCc2ccc(=O)[nH]c2CC1 ZINC001253188034 808023885 /nfs/dbraw/zinc/02/38/85/808023885.db2.gz NRFBMEHFANEAIE-AWEZNQCLSA-N 2 2 293.411 0.891 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@H](CC(=O)OC)C1 ZINC001253192307 808027521 /nfs/dbraw/zinc/02/75/21/808027521.db2.gz OIMLNIZLBRKCDR-CHWSQXEVSA-N 2 2 272.389 0.574 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CC[C@H](CC(=O)OC)C1 ZINC001253192307 808027528 /nfs/dbraw/zinc/02/75/28/808027528.db2.gz OIMLNIZLBRKCDR-CHWSQXEVSA-N 2 2 272.389 0.574 20 0 CCADLP CCOC(C[NH2+]C[C@@H](O)C[NH+](CC)CC)OCC ZINC001253203214 808028147 /nfs/dbraw/zinc/02/81/47/808028147.db2.gz QFVVJKAFKFZWEX-GFCCVEGCSA-N 2 2 262.394 0.678 20 0 CCADLP CN(CCO)c1cc(NC[C@H](O)C[NH2+]C(C)(C)C)[nH+]cn1 ZINC001253385927 808051964 /nfs/dbraw/zinc/05/19/64/808051964.db2.gz VINURYNFAFWMSB-NSHDSACASA-N 2 2 297.403 0.066 20 0 CCADLP CN(CCO)c1cc(NC[C@H](O)C[NH2+]C(C)(C)C)nc[nH+]1 ZINC001253385927 808051970 /nfs/dbraw/zinc/05/19/70/808051970.db2.gz VINURYNFAFWMSB-NSHDSACASA-N 2 2 297.403 0.066 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH+]1CCC(N2CCOC2=O)CC1 ZINC001253394003 808055478 /nfs/dbraw/zinc/05/54/78/808055478.db2.gz BWAPVRWZDNIINZ-CYBMUJFWSA-N 2 2 299.415 0.652 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]Cc1ccnn1CCF ZINC001253411676 808062615 /nfs/dbraw/zinc/06/26/15/808062615.db2.gz SPFKZWXNZRRCED-LBPRGKRZSA-N 2 2 272.368 0.691 20 0 CCADLP CCOC(=O)C[NH+]1CCC(n2ccnc2C(N)=[NH2+])CC1 ZINC001254395586 808231626 /nfs/dbraw/zinc/23/16/26/808231626.db2.gz RELGPHWCENKZHM-UHFFFAOYSA-N 2 2 279.344 0.367 20 0 CCADLP CCOC(=O)C[NH+]1CCC(N2CC[N@@H+]3CC[C@H]3C2)CC1 ZINC001254413408 808236285 /nfs/dbraw/zinc/23/62/85/808236285.db2.gz WGHBVBNHKLHAAB-AWEZNQCLSA-N 2 2 281.400 0.404 20 0 CCADLP CCOC(=O)C[NH+]1CCC(N2CC[N@H+]3CC[C@H]3C2)CC1 ZINC001254413408 808236288 /nfs/dbraw/zinc/23/62/88/808236288.db2.gz WGHBVBNHKLHAAB-AWEZNQCLSA-N 2 2 281.400 0.404 20 0 CCADLP O=C(NCC[NH2+][C@@H]1CC2CC[NH+](CC2)C1)c1ccncc1 ZINC001254837146 808284137 /nfs/dbraw/zinc/28/41/37/808284137.db2.gz RTSFKHRQIIDVGD-OAHLLOKOSA-N 2 2 288.395 0.885 20 0 CCADLP CN1C[C@@H]([NH2+][C@@H]2CC3CC[NH+](CC3)C2)CCC1=O ZINC001254836675 808284241 /nfs/dbraw/zinc/28/42/41/808284241.db2.gz OECBTEUEVGGOQM-QWHCGFSZSA-N 2 2 251.374 0.681 20 0 CCADLP C[NH+]1CC(C(=O)N(C(N)=[NH2+])c2ccccc2F)C1 ZINC001142600309 815191463 /nfs/dbraw/zinc/19/14/63/815191463.db2.gz PTCCDKNGGHGUPQ-UHFFFAOYSA-N 2 2 250.277 0.614 20 0 CCADLP CN1C(=O)CC[C@H]1C[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254840015 808285170 /nfs/dbraw/zinc/28/51/70/808285170.db2.gz AAUNNCPYVUGLPS-OLZOCXBDSA-N 2 2 251.374 0.681 20 0 CCADLP COC(=O)[C@H](C[NH3+])C[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC001255101446 808316980 /nfs/dbraw/zinc/31/69/80/808316980.db2.gz RTESBHFODGHRAT-CABCVRRESA-N 2 2 291.395 0.598 20 0 CCADLP CCOC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2CC[N@H+](C)C2)cn1 ZINC001255425322 808361094 /nfs/dbraw/zinc/36/10/94/808361094.db2.gz DBLOSYGUCDLFIJ-NEPJUHHUSA-N 2 2 266.345 0.193 20 0 CCADLP CCOC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2CC[N@@H+](C)C2)cn1 ZINC001255425322 808361103 /nfs/dbraw/zinc/36/11/03/808361103.db2.gz DBLOSYGUCDLFIJ-NEPJUHHUSA-N 2 2 266.345 0.193 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])N[C@@H]2CCOC(C)(C)C2)CC1 ZINC001255527449 808397066 /nfs/dbraw/zinc/39/70/66/808397066.db2.gz QNJKXARQJJAOJB-LLVKDONJSA-N 2 2 254.378 0.716 20 0 CCADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H](C)CC(=O)N2CCOCC2)C1 ZINC001256328407 808498515 /nfs/dbraw/zinc/49/85/15/808498515.db2.gz NNDNLJZFKIUMAK-CABCVRRESA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H](C)CC(=O)N2CCOCC2)C1 ZINC001256328407 808498517 /nfs/dbraw/zinc/49/85/17/808498517.db2.gz NNDNLJZFKIUMAK-CABCVRRESA-N 2 2 297.443 0.944 20 0 CCADLP CS(=O)(=O)N1CCC([NH2+]CCOc2cc[nH+]cc2)CC1 ZINC001257233639 808604182 /nfs/dbraw/zinc/60/41/82/808604182.db2.gz QTIPUCLRLYDIGO-UHFFFAOYSA-N 2 2 299.396 0.474 20 0 CCADLP [NH3+][C@@H](CO)c1cn(Cc2[nH+]ccn2Cc2ccccc2)nn1 ZINC001262026137 809162191 /nfs/dbraw/zinc/16/21/91/809162191.db2.gz ILBWFBDDEWLYKX-ZDUSSCGKSA-N 2 2 298.350 0.563 20 0 CCADLP CN(C)C(=O)OCC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC001262301224 809270139 /nfs/dbraw/zinc/27/01/39/809270139.db2.gz FRFMZBIJMNRSOE-ZIAGYGMSSA-N 2 2 269.389 0.958 20 0 CCADLP Cn1cc[nH+]c1CCNC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC000379468750 809512833 /nfs/dbraw/zinc/51/28/33/809512833.db2.gz ZTEBDCHVAWEERE-JTQLQIEISA-N 2 2 268.361 0.221 20 0 CCADLP CCC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001076463411 815301280 /nfs/dbraw/zinc/30/12/80/815301280.db2.gz ONYBKQPLKVRQHK-GXTWGEPZSA-N 2 2 276.384 0.905 20 0 CCADLP CCC[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001076463411 815301286 /nfs/dbraw/zinc/30/12/86/815301286.db2.gz ONYBKQPLKVRQHK-GXTWGEPZSA-N 2 2 276.384 0.905 20 0 CCADLP COCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001265546326 809802412 /nfs/dbraw/zinc/80/24/12/809802412.db2.gz JIFGKTZDPOJKKO-RWMBFGLXSA-N 2 2 292.383 0.329 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](C[NH2+]CCF)C1 ZINC001266020334 809919834 /nfs/dbraw/zinc/91/98/34/809919834.db2.gz GXYWPAVWTUEQET-NWDGAFQWSA-N 2 2 282.363 0.996 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](C[NH2+]CCF)C1 ZINC001266020334 809919837 /nfs/dbraw/zinc/91/98/37/809919837.db2.gz GXYWPAVWTUEQET-NWDGAFQWSA-N 2 2 282.363 0.996 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1CCC[NH+](C)C1)C1CC1 ZINC000394062090 809936025 /nfs/dbraw/zinc/93/60/25/809936025.db2.gz APUXDFMZSZPZTB-GXTWGEPZSA-N 3 2 255.406 0.373 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1CCC[NH+](C)C1)C1CC1 ZINC000394062090 809936031 /nfs/dbraw/zinc/93/60/31/809936031.db2.gz APUXDFMZSZPZTB-GXTWGEPZSA-N 3 2 255.406 0.373 20 0 CCADLP C[NH+](C[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000394062090 809936038 /nfs/dbraw/zinc/93/60/38/809936038.db2.gz APUXDFMZSZPZTB-GXTWGEPZSA-N 3 2 255.406 0.373 20 0 CCADLP C[NH+](C[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000394062090 809936040 /nfs/dbraw/zinc/93/60/40/809936040.db2.gz APUXDFMZSZPZTB-GXTWGEPZSA-N 3 2 255.406 0.373 20 0 CCADLP Cc1nonc1C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001267354180 811201473 /nfs/dbraw/zinc/20/14/73/811201473.db2.gz DHUYFRASAMRRHA-LBPRGKRZSA-N 2 2 281.360 0.020 20 0 CCADLP Cc1nonc1C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001267354180 811201479 /nfs/dbraw/zinc/20/14/79/811201479.db2.gz DHUYFRASAMRRHA-LBPRGKRZSA-N 2 2 281.360 0.020 20 0 CCADLP COCC[NH2+]C1CC(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001100716903 811477938 /nfs/dbraw/zinc/47/79/38/811477938.db2.gz VTLJXOOWBKGMIE-IYXRBSQSSA-N 2 2 294.399 0.965 20 0 CCADLP Cn1ccc(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)n1 ZINC001218498591 811573722 /nfs/dbraw/zinc/57/37/22/811573722.db2.gz WYFQCAREDVRRNI-NSHDSACASA-N 2 2 259.313 0.631 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1ccc[nH]c1=S ZINC001218621235 811592237 /nfs/dbraw/zinc/59/22/37/811592237.db2.gz HJPJVYVHAMYMFV-UHFFFAOYSA-N 2 2 266.370 0.650 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CC[N@@H+](CCF)[C@@H]2C1 ZINC001042247409 811613008 /nfs/dbraw/zinc/61/30/08/811613008.db2.gz NYTYMTXJKNMYIU-DGCLKSJQSA-N 2 2 280.347 0.845 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2CC[N@H+](CCF)[C@@H]2C1 ZINC001042247409 811613013 /nfs/dbraw/zinc/61/30/13/811613013.db2.gz NYTYMTXJKNMYIU-DGCLKSJQSA-N 2 2 280.347 0.845 20 0 CCADLP CCC[N@H+](C)CCC(=O)NCC1C[NH+](CCF)C1 ZINC001267697353 811663105 /nfs/dbraw/zinc/66/31/05/811663105.db2.gz ICAFQUBXZHIALP-UHFFFAOYSA-N 2 2 259.369 0.736 20 0 CCADLP CCC[N@@H+](C)CCC(=O)NCC1C[NH+](CCF)C1 ZINC001267697353 811663110 /nfs/dbraw/zinc/66/31/10/811663110.db2.gz ICAFQUBXZHIALP-UHFFFAOYSA-N 2 2 259.369 0.736 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@H]1CC[C@H]([NH2+]CCCO)CC1 ZINC001267927870 811872984 /nfs/dbraw/zinc/87/29/84/811872984.db2.gz PYLHIDWYXAEOPY-HDJSIYSDSA-N 2 2 294.399 0.673 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001161529486 812047933 /nfs/dbraw/zinc/04/79/33/812047933.db2.gz DVXLEMVRLSCLIA-JIMOISOXSA-N 3 2 262.357 0.207 20 0 CCADLP [NH3+]CCc1nnn(-c2ccc(F)c(-n3cc[nH+]c3)c2)n1 ZINC001167792649 812079773 /nfs/dbraw/zinc/07/97/73/812079773.db2.gz KCBHRKAEUHXQCI-UHFFFAOYSA-N 2 2 273.275 0.488 20 0 CCADLP CCN1CCC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1=O ZINC000722346155 812128021 /nfs/dbraw/zinc/12/80/21/812128021.db2.gz OHFMBOCLJMZZOU-OLZOCXBDSA-N 2 2 269.389 0.044 20 0 CCADLP C[NH+](C)Cc1csc(CNC[C@@H](O)C[NH+]2CCCC2)n1 ZINC000722382738 812226208 /nfs/dbraw/zinc/22/62/08/812226208.db2.gz KZKTVQKLTPQKIL-CYBMUJFWSA-N 2 2 298.456 0.751 20 0 CCADLP COCCOCCOCC[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000126017456 812317960 /nfs/dbraw/zinc/31/79/60/812317960.db2.gz DBNSPIQEIAFFNE-CYBMUJFWSA-N 2 2 260.378 0.479 20 0 CCADLP COCCOCCOCC[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000126017456 812317966 /nfs/dbraw/zinc/31/79/66/812317966.db2.gz DBNSPIQEIAFFNE-CYBMUJFWSA-N 2 2 260.378 0.479 20 0 CCADLP Cc1[nH+]ccn1-c1cncc(NC(=[NH2+])NCCCC[NH3+])n1 ZINC001167881227 812400337 /nfs/dbraw/zinc/40/03/37/812400337.db2.gz YJJGAABIWCHBGA-UHFFFAOYSA-N 3 2 288.359 0.646 20 0 CCADLP CCC[N@H+](C)CC(=O)NC1C[NH+](C[C@@H](C)OC)C1 ZINC001268474152 812630912 /nfs/dbraw/zinc/63/09/12/812630912.db2.gz IPJGDHLAFUJBIJ-LLVKDONJSA-N 2 2 257.378 0.164 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC1C[NH+](C[C@@H](C)OC)C1 ZINC001268474152 812630915 /nfs/dbraw/zinc/63/09/15/812630915.db2.gz IPJGDHLAFUJBIJ-LLVKDONJSA-N 2 2 257.378 0.164 20 0 CCADLP CCCCOCC[NH+]1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001268474503 812632908 /nfs/dbraw/zinc/63/29/08/812632908.db2.gz NEROWUHPPRRNAB-UHFFFAOYSA-N 2 2 295.427 0.699 20 0 CCADLP CC(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075645268 812782341 /nfs/dbraw/zinc/78/23/41/812782341.db2.gz VNDPVIBYQKKUTJ-ZNMIVQPWSA-N 2 2 295.427 0.506 20 0 CCADLP CC(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001075645268 812782345 /nfs/dbraw/zinc/78/23/45/812782345.db2.gz VNDPVIBYQKKUTJ-ZNMIVQPWSA-N 2 2 295.427 0.506 20 0 CCADLP CC(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001075645268 812782351 /nfs/dbraw/zinc/78/23/51/812782351.db2.gz VNDPVIBYQKKUTJ-ZNMIVQPWSA-N 2 2 295.427 0.506 20 0 CCADLP CC(C)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001075645268 812782355 /nfs/dbraw/zinc/78/23/55/812782355.db2.gz VNDPVIBYQKKUTJ-ZNMIVQPWSA-N 2 2 295.427 0.506 20 0 CCADLP Cc1cnc(C[NH2+]C/C=C\CNC(=O)C[NH+]2CCCC2)o1 ZINC001268624634 812952644 /nfs/dbraw/zinc/95/26/44/812952644.db2.gz DVGFCCFLXISGNP-IHWYPQMZSA-N 2 2 292.383 0.841 20 0 CCADLP O=C(NC[C@@H]1CC[N@@H+](CCF)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001028643390 813107337 /nfs/dbraw/zinc/10/73/37/813107337.db2.gz OKUQWGUANYTZPM-STQMWFEESA-N 2 2 294.374 0.853 20 0 CCADLP O=C(NC[C@@H]1CC[N@H+](CCF)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001028643390 813107342 /nfs/dbraw/zinc/10/73/42/813107342.db2.gz OKUQWGUANYTZPM-STQMWFEESA-N 2 2 294.374 0.853 20 0 CCADLP COCCCC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001269303050 813317272 /nfs/dbraw/zinc/31/72/72/813317272.db2.gz YIMFFGOKFWNUBI-AWEZNQCLSA-N 2 2 294.399 0.842 20 0 CCADLP COCCCC[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001269303050 813317279 /nfs/dbraw/zinc/31/72/79/813317279.db2.gz YIMFFGOKFWNUBI-AWEZNQCLSA-N 2 2 294.399 0.842 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCCO ZINC001038409167 813552427 /nfs/dbraw/zinc/55/24/27/813552427.db2.gz NJDXBYTZJLFHJC-OLZOCXBDSA-N 2 2 269.389 0.044 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCCO ZINC001038409167 813552442 /nfs/dbraw/zinc/55/24/42/813552442.db2.gz NJDXBYTZJLFHJC-OLZOCXBDSA-N 2 2 269.389 0.044 20 0 CCADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCCO ZINC001038409167 813552449 /nfs/dbraw/zinc/55/24/49/813552449.db2.gz NJDXBYTZJLFHJC-OLZOCXBDSA-N 2 2 269.389 0.044 20 0 CCADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCCO ZINC001038409167 813552457 /nfs/dbraw/zinc/55/24/57/813552457.db2.gz NJDXBYTZJLFHJC-OLZOCXBDSA-N 2 2 269.389 0.044 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCCO)CCN1C(=O)Cc1c[nH+]cn1C ZINC001269981685 813571759 /nfs/dbraw/zinc/57/17/59/813571759.db2.gz PHKWJGUKUCHYAV-QWHCGFSZSA-N 2 2 294.399 0.314 20 0 CCADLP Cc1cc(C[NH2+]CCNC(=O)CCc2[nH]cc[nH+]2)nn1C ZINC001126436983 813584332 /nfs/dbraw/zinc/58/43/32/813584332.db2.gz QDWFQLONXSJFMJ-UHFFFAOYSA-N 2 2 290.371 0.290 20 0 CCADLP [NH3+]C[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167960807 813630454 /nfs/dbraw/zinc/63/04/54/813630454.db2.gz DKOHEEOCKGMOTC-GSPSYOTPSA-N 3 2 253.390 0.301 20 0 CCADLP [NH3+]C[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167960807 813630459 /nfs/dbraw/zinc/63/04/59/813630459.db2.gz DKOHEEOCKGMOTC-GSPSYOTPSA-N 3 2 253.390 0.301 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@H]1C[NH2+]CCF ZINC001270098118 813633835 /nfs/dbraw/zinc/63/38/35/813633835.db2.gz LFXWUCVRDLPJDC-LBPRGKRZSA-N 2 2 282.363 0.903 20 0 CCADLP [NH3+]CCN(CC(F)(F)F)C(=O)CCn1cc[nH+]c1 ZINC000713328374 814081705 /nfs/dbraw/zinc/08/17/05/814081705.db2.gz CBIFYUPQQXDABP-UHFFFAOYSA-N 2 2 264.251 0.623 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCc2nnnn2C)[C@H]1C ZINC000883446195 814302478 /nfs/dbraw/zinc/30/24/78/814302478.db2.gz ZBUGRFOUVOSYLF-OUAUKWLOSA-N 2 2 252.366 0.200 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCc2nnnn2C)[C@H]1C ZINC000883446195 814302486 /nfs/dbraw/zinc/30/24/86/814302486.db2.gz ZBUGRFOUVOSYLF-OUAUKWLOSA-N 2 2 252.366 0.200 20 0 CCADLP Cc1nc(N(C)CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001105405692 814311312 /nfs/dbraw/zinc/31/13/12/814311312.db2.gz NLMVZBMTXNJNKV-ZDUSSCGKSA-N 2 2 291.399 0.631 20 0 CCADLP Cc1nc(N(C)CCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001105405692 814311321 /nfs/dbraw/zinc/31/13/21/814311321.db2.gz NLMVZBMTXNJNKV-ZDUSSCGKSA-N 2 2 291.399 0.631 20 0 CCADLP C[C@@H](C[NH2+]CC[C@H]1CCOC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001271227058 814342062 /nfs/dbraw/zinc/34/20/62/814342062.db2.gz LYSGYPFHFJREAX-KBPBESRZSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@H](C[NH2+]CC[C@H]1CCOC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001271227059 814343113 /nfs/dbraw/zinc/34/31/13/814343113.db2.gz LYSGYPFHFJREAX-KGLIPLIRSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001088151852 814428438 /nfs/dbraw/zinc/42/84/38/814428438.db2.gz XJFSFKFUAZUVLP-XQQFMLRXSA-N 2 2 292.383 0.113 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001088151852 814428442 /nfs/dbraw/zinc/42/84/42/814428442.db2.gz XJFSFKFUAZUVLP-XQQFMLRXSA-N 2 2 292.383 0.113 20 0 CCADLP c1cnc(N2CC[NH+](C[C@H]3CCCC[NH2+]C3)CC2)nc1 ZINC000696999615 814557122 /nfs/dbraw/zinc/55/71/22/814557122.db2.gz NILRKLSGGHAWQR-AWEZNQCLSA-N 2 2 275.400 0.988 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CCCCC[C@H]([NH2+]CCO)C1 ZINC001088306064 814592535 /nfs/dbraw/zinc/59/25/35/814592535.db2.gz OZBRYEAHCOERQU-ZDUSSCGKSA-N 2 2 294.399 0.695 20 0 CCADLP CC(C)=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H]1C ZINC001088505975 814762019 /nfs/dbraw/zinc/76/20/19/814762019.db2.gz CFZRIKRSVMAOHK-ILXRZTDVSA-N 2 2 295.427 0.862 20 0 CCADLP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@H]1C ZINC001088505975 814762024 /nfs/dbraw/zinc/76/20/24/814762024.db2.gz CFZRIKRSVMAOHK-ILXRZTDVSA-N 2 2 295.427 0.862 20 0 CCADLP CC(C)=CC[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001088505975 814762027 /nfs/dbraw/zinc/76/20/27/814762027.db2.gz CFZRIKRSVMAOHK-ILXRZTDVSA-N 2 2 295.427 0.862 20 0 CCADLP COc1ccc2c(c1)C[C@@H](NC(=[NH2+])N1CC[NH+](C)CC1)C2 ZINC001168245507 814921182 /nfs/dbraw/zinc/92/11/82/814921182.db2.gz BAPVGWWJHMLWJG-AWEZNQCLSA-N 2 2 288.395 0.934 20 0 CCADLP O=C1NC[C@@H]2CC[N@@H+](C3CC[NH+](CC4CC4)CC3)C[C@H]12 ZINC001168387281 815719222 /nfs/dbraw/zinc/71/92/22/815719222.db2.gz BPRXFHMYSOHPTB-ZFWWWQNUSA-N 2 2 277.412 0.929 20 0 CCADLP O=C1NC[C@@H]2CC[N@H+](C3CC[NH+](CC4CC4)CC3)C[C@H]12 ZINC001168387281 815719227 /nfs/dbraw/zinc/71/92/27/815719227.db2.gz BPRXFHMYSOHPTB-ZFWWWQNUSA-N 2 2 277.412 0.929 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+]([C@@H](C)COC)C1 ZINC001030401500 816016429 /nfs/dbraw/zinc/01/64/29/816016429.db2.gz SOKCATDKQIIGIB-JSGCOSHPSA-N 2 2 283.416 0.696 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)NC1C[NH+]([C@@H](C)COC)C1 ZINC001030401500 816016436 /nfs/dbraw/zinc/01/64/36/816016436.db2.gz SOKCATDKQIIGIB-JSGCOSHPSA-N 2 2 283.416 0.696 20 0 CCADLP CC[NH+]1CC(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001030432540 816035606 /nfs/dbraw/zinc/03/56/06/816035606.db2.gz JWSRBNDJUGBHAD-LBPRGKRZSA-N 2 2 253.390 0.785 20 0 CCADLP CC[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001030432540 816035614 /nfs/dbraw/zinc/03/56/14/816035614.db2.gz JWSRBNDJUGBHAD-LBPRGKRZSA-N 2 2 253.390 0.785 20 0 CCADLP CC(C)C[NH+]1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001030533298 816091497 /nfs/dbraw/zinc/09/14/97/816091497.db2.gz KDJYPJXAEJZVAS-ZDUSSCGKSA-N 2 2 253.390 0.927 20 0 CCADLP COCC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001106064498 816144485 /nfs/dbraw/zinc/14/44/85/816144485.db2.gz AEVGCKJXZDPVPK-CHWSQXEVSA-N 2 2 294.399 0.673 20 0 CCADLP C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cc[nH+]c(N)c1 ZINC001272303756 816288844 /nfs/dbraw/zinc/28/88/44/816288844.db2.gz DYADHBVVDMGSDN-TXEJJXNPSA-N 2 2 260.341 0.511 20 0 CCADLP C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cc[nH+]c(N)c1 ZINC001272303756 816288850 /nfs/dbraw/zinc/28/88/50/816288850.db2.gz DYADHBVVDMGSDN-TXEJJXNPSA-N 2 2 260.341 0.511 20 0 CCADLP CC(C)CC[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001030832704 816327531 /nfs/dbraw/zinc/32/75/31/816327531.db2.gz HUZYYYSIMJNBTD-OAHLLOKOSA-N 2 2 297.443 0.942 20 0 CCADLP CC(C)CC[NH+]1CC(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001030832704 816327537 /nfs/dbraw/zinc/32/75/37/816327537.db2.gz HUZYYYSIMJNBTD-OAHLLOKOSA-N 2 2 297.443 0.942 20 0 CCADLP CC[NH+]1CC(NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001031083955 816633828 /nfs/dbraw/zinc/63/38/28/816633828.db2.gz PPMFNIWTWCZZKG-STQMWFEESA-N 2 2 251.374 0.824 20 0 CCADLP CC[NH+]1CC(NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001031083955 816633831 /nfs/dbraw/zinc/63/38/31/816633831.db2.gz PPMFNIWTWCZZKG-STQMWFEESA-N 2 2 251.374 0.824 20 0 CCADLP CO[C@@H](C)C[NH2+]CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001127292966 816644586 /nfs/dbraw/zinc/64/45/86/816644586.db2.gz PMPFJCKMFWGSGK-LBPRGKRZSA-N 2 2 290.367 0.997 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)NCC[NH2+]CCCO)ccn12 ZINC001127293811 816647640 /nfs/dbraw/zinc/64/76/40/816647640.db2.gz ZPXPCYRJQSFCLR-UHFFFAOYSA-N 2 2 276.340 0.345 20 0 CCADLP C[NH+](C)Cc1ccc(C(=O)NC2C[NH+](CCCO)C2)cc1 ZINC001031104405 816650528 /nfs/dbraw/zinc/65/05/28/816650528.db2.gz RLOVFMDQSWOYHQ-UHFFFAOYSA-N 2 2 291.395 0.545 20 0 CCADLP CC[NH+]1CC(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001031161566 816720126 /nfs/dbraw/zinc/72/01/26/816720126.db2.gz UXJZAOMJPOEFAY-UHFFFAOYSA-N 2 2 271.324 0.701 20 0 CCADLP CCOCC[NH2+]CC[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001272599530 816773625 /nfs/dbraw/zinc/77/36/25/816773625.db2.gz UMFMXXZCDNEJBR-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP COC[C@H](C)[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001168492927 816832282 /nfs/dbraw/zinc/83/22/82/816832282.db2.gz ACZRFHXVFZTMHE-ZDUSSCGKSA-N 2 2 294.399 0.794 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001106799804 816920871 /nfs/dbraw/zinc/92/08/71/816920871.db2.gz SJFWKCAPTIZPGU-FRRDWIJNSA-N 2 2 294.399 0.671 20 0 CCADLP CCCC[NH+]1CC(NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001031415237 817042324 /nfs/dbraw/zinc/04/23/24/817042324.db2.gz SMKGNTGWLSDZDQ-CYBMUJFWSA-N 2 2 269.389 0.308 20 0 CCADLP CCCC[NH+]1CC(NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001031415237 817042331 /nfs/dbraw/zinc/04/23/31/817042331.db2.gz SMKGNTGWLSDZDQ-CYBMUJFWSA-N 2 2 269.389 0.308 20 0 CCADLP O=C(NCC1C[NH+](CCF)C1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001031668726 817231247 /nfs/dbraw/zinc/23/12/47/817231247.db2.gz MZSDFOXGNWHJAG-UONOGXRCSA-N 2 2 283.391 0.878 20 0 CCADLP O=C(NCC1C[NH+](CCF)C1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001031668726 817231257 /nfs/dbraw/zinc/23/12/57/817231257.db2.gz MZSDFOXGNWHJAG-UONOGXRCSA-N 2 2 283.391 0.878 20 0 CCADLP C[C@H](O)C[NH+]1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001031773345 817355414 /nfs/dbraw/zinc/35/54/14/817355414.db2.gz SSAFFFOVVALUSS-JTQLQIEISA-N 2 2 288.351 0.605 20 0 CCADLP CC(C)[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@@H](O)C1 ZINC001083768718 817430139 /nfs/dbraw/zinc/43/01/39/817430139.db2.gz NCQKESHQRQUTSN-RTXFEEFZSA-N 2 2 292.383 0.399 20 0 CCADLP CC(C)[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@@H](O)C1 ZINC001083768718 817430140 /nfs/dbraw/zinc/43/01/40/817430140.db2.gz NCQKESHQRQUTSN-RTXFEEFZSA-N 2 2 292.383 0.399 20 0 CCADLP COCC[NH+]1CC(CNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001031968091 817504681 /nfs/dbraw/zinc/50/46/81/817504681.db2.gz NHIDXUFBHUHTDM-LBPRGKRZSA-N 2 2 292.383 0.524 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@@H]([NH2+]CCF)C12CCC2 ZINC001078761076 818050928 /nfs/dbraw/zinc/05/09/28/818050928.db2.gz FQEHMPZDKFUTDW-MNOVXSKESA-N 2 2 280.347 0.939 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000358120696 818160706 /nfs/dbraw/zinc/16/07/06/818160706.db2.gz QRXSGWFBILNPMB-VXGBXAGGSA-N 2 2 277.372 0.846 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000358120696 818160709 /nfs/dbraw/zinc/16/07/09/818160709.db2.gz QRXSGWFBILNPMB-VXGBXAGGSA-N 2 2 277.372 0.846 20 0 CCADLP C[C@@H](CC[NH2+]C[C@@H]1CCCOC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001273044861 818521696 /nfs/dbraw/zinc/52/16/96/818521696.db2.gz PHVWQRJODZNTBT-STQMWFEESA-N 2 2 294.399 0.863 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ncccc2C(N)=S)CC1 ZINC001168735883 818539964 /nfs/dbraw/zinc/53/99/64/818539964.db2.gz VGAMDQJEFYTVBN-UHFFFAOYSA-N 2 2 278.385 0.310 20 0 CCADLP C[NH+](C)Cc1cccc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001168736390 818547103 /nfs/dbraw/zinc/54/71/03/818547103.db2.gz LVDBZAMDVLZEMT-UHFFFAOYSA-N 3 2 276.388 0.737 20 0 CCADLP Cc1nc(Cl)nc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001168736856 818551302 /nfs/dbraw/zinc/55/13/02/818551302.db2.gz RQMYGISXFYYMBA-UHFFFAOYSA-N 2 2 269.740 0.427 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cnc3c(c2)OCCO3)CC1 ZINC001168737208 818560136 /nfs/dbraw/zinc/56/01/36/818560136.db2.gz QPLBOPJGKWVYGQ-UHFFFAOYSA-N 2 2 277.328 0.447 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(NC(N)=O)cc2)CC1 ZINC001168737411 818563462 /nfs/dbraw/zinc/56/34/62/818563462.db2.gz VFRNLAXNBBHSMM-UHFFFAOYSA-N 2 2 276.344 0.771 20 0 CCADLP CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001108077235 818570069 /nfs/dbraw/zinc/57/00/69/818570069.db2.gz YNSKJWVESJUUEC-AWEZNQCLSA-N 2 2 280.372 0.419 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2c[nH]c3coc(=O)c-3c2)CC1 ZINC001168746181 818627613 /nfs/dbraw/zinc/62/76/13/818627613.db2.gz FAEUCRJKEZVRGX-UHFFFAOYSA-N 2 2 275.312 0.346 20 0 CCADLP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](CCF)C1 ZINC001033199699 818640453 /nfs/dbraw/zinc/64/04/53/818640453.db2.gz WUUVQVXUHNMTPB-OLZOCXBDSA-N 2 2 271.380 0.973 20 0 CCADLP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](CCF)C1 ZINC001033199699 818640460 /nfs/dbraw/zinc/64/04/60/818640460.db2.gz WUUVQVXUHNMTPB-OLZOCXBDSA-N 2 2 271.380 0.973 20 0 CCADLP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](CCF)C1 ZINC001033199699 818640464 /nfs/dbraw/zinc/64/04/64/818640464.db2.gz WUUVQVXUHNMTPB-OLZOCXBDSA-N 2 2 271.380 0.973 20 0 CCADLP CN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](CCF)C1 ZINC001033199699 818640467 /nfs/dbraw/zinc/64/04/67/818640467.db2.gz WUUVQVXUHNMTPB-OLZOCXBDSA-N 2 2 271.380 0.973 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033452768 818782991 /nfs/dbraw/zinc/78/29/91/818782991.db2.gz OHOZILPSACGQLI-DGCLKSJQSA-N 2 2 280.372 0.520 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033452768 818782999 /nfs/dbraw/zinc/78/29/99/818782999.db2.gz OHOZILPSACGQLI-DGCLKSJQSA-N 2 2 280.372 0.520 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033593548 818842609 /nfs/dbraw/zinc/84/26/09/818842609.db2.gz HVVVXLHKJRTRGH-QWHCGFSZSA-N 2 2 294.399 0.530 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033593548 818842612 /nfs/dbraw/zinc/84/26/12/818842612.db2.gz HVVVXLHKJRTRGH-QWHCGFSZSA-N 2 2 294.399 0.530 20 0 CCADLP CCO[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000701668546 818988583 /nfs/dbraw/zinc/98/85/83/818988583.db2.gz AUPZURDHIQMWHA-OLZOCXBDSA-N 2 2 260.378 0.036 20 0 CCADLP CCO[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000701668546 818988588 /nfs/dbraw/zinc/98/85/88/818988588.db2.gz AUPZURDHIQMWHA-OLZOCXBDSA-N 2 2 260.378 0.036 20 0 CCADLP CCO[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000701668546 818988592 /nfs/dbraw/zinc/98/85/92/818988592.db2.gz AUPZURDHIQMWHA-OLZOCXBDSA-N 2 2 260.378 0.036 20 0 CCADLP CCO[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000701668546 818988578 /nfs/dbraw/zinc/98/85/78/818988578.db2.gz AUPZURDHIQMWHA-OLZOCXBDSA-N 2 2 260.378 0.036 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001128786317 819012268 /nfs/dbraw/zinc/01/22/68/819012268.db2.gz VCPUHOHPZWVOFQ-LBPRGKRZSA-N 2 2 281.360 0.150 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001128786317 819012272 /nfs/dbraw/zinc/01/22/72/819012272.db2.gz VCPUHOHPZWVOFQ-LBPRGKRZSA-N 2 2 281.360 0.150 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+]CCOC1CCC1 ZINC001128967074 819235363 /nfs/dbraw/zinc/23/53/63/819235363.db2.gz ABXQFFCABDVKGD-UHFFFAOYSA-N 2 2 280.372 0.617 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC[NH2+]CCOC1CCC1 ZINC001128967074 819235371 /nfs/dbraw/zinc/23/53/71/819235371.db2.gz ABXQFFCABDVKGD-UHFFFAOYSA-N 2 2 280.372 0.617 20 0 CCADLP COCCOC[C@H](O)C[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000705681215 819544247 /nfs/dbraw/zinc/54/42/47/819544247.db2.gz SAIZGCDYHSEMNO-RBSFLKMASA-N 2 2 286.416 0.284 20 0 CCADLP COCCOC[C@@H](O)C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705681218 819544951 /nfs/dbraw/zinc/54/49/51/819544951.db2.gz SAIZGCDYHSEMNO-SOUVJXGZSA-N 2 2 286.416 0.284 20 0 CCADLP COCCOC[C@@H](O)C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705681218 819544954 /nfs/dbraw/zinc/54/49/54/819544954.db2.gz SAIZGCDYHSEMNO-SOUVJXGZSA-N 2 2 286.416 0.284 20 0 CCADLP COCCOC[C@@H](O)C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000705681218 819544958 /nfs/dbraw/zinc/54/49/58/819544958.db2.gz SAIZGCDYHSEMNO-SOUVJXGZSA-N 2 2 286.416 0.284 20 0 CCADLP COCCOC[C@@H](O)C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000705681218 819544962 /nfs/dbraw/zinc/54/49/62/819544962.db2.gz SAIZGCDYHSEMNO-SOUVJXGZSA-N 2 2 286.416 0.284 20 0 CCADLP CC[NH+]1CC2(C1)CCN(C(=O)Cc1c[nH+]cn1C)CC2 ZINC001035837499 819634217 /nfs/dbraw/zinc/63/42/17/819634217.db2.gz XBOXYRHFFVKZTF-UHFFFAOYSA-N 2 2 276.384 0.907 20 0 CCADLP C[C@@H]1CC[N@H+](CCCCS(C)(=O)=O)C[C@H]1C[NH3+] ZINC000706604660 819654528 /nfs/dbraw/zinc/65/45/28/819654528.db2.gz PBSCSFDRKNQODP-VXGBXAGGSA-N 2 2 262.419 0.728 20 0 CCADLP C[C@@H]1CC[N@@H+](CCCCS(C)(=O)=O)C[C@H]1C[NH3+] ZINC000706604660 819654533 /nfs/dbraw/zinc/65/45/33/819654533.db2.gz PBSCSFDRKNQODP-VXGBXAGGSA-N 2 2 262.419 0.728 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001036268173 819717928 /nfs/dbraw/zinc/71/79/28/819717928.db2.gz RFPVEVDPUHVSBA-DGCLKSJQSA-N 2 2 264.373 0.809 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]CCO)[C@@H](C)C1 ZINC001036280183 819719300 /nfs/dbraw/zinc/71/93/00/819719300.db2.gz HLQDYARRZVJUQB-JQWIXIFHSA-N 2 2 280.372 0.080 20 0 CCADLP O=C(c1ccn2c[nH+]cc2c1)N1CC[NH+](CCO)CC1 ZINC000170250159 821005424 /nfs/dbraw/zinc/00/54/24/821005424.db2.gz IWDNSQQQMLCPMT-UHFFFAOYSA-N 2 2 274.324 0.084 20 0 CCADLP CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001084395298 821285856 /nfs/dbraw/zinc/28/58/56/821285856.db2.gz NTVDSSKOQMLQIC-DGCLKSJQSA-N 2 2 262.357 0.895 20 0 CCADLP CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001084395298 821285864 /nfs/dbraw/zinc/28/58/64/821285864.db2.gz NTVDSSKOQMLQIC-DGCLKSJQSA-N 2 2 262.357 0.895 20 0 CCADLP CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001084395298 821285867 /nfs/dbraw/zinc/28/58/67/821285867.db2.gz NTVDSSKOQMLQIC-DGCLKSJQSA-N 2 2 262.357 0.895 20 0 CCADLP CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001084395298 821285876 /nfs/dbraw/zinc/28/58/76/821285876.db2.gz NTVDSSKOQMLQIC-DGCLKSJQSA-N 2 2 262.357 0.895 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCC[N@@H+]2CCCOCC2)c[nH+]1 ZINC000825286182 821650838 /nfs/dbraw/zinc/65/08/38/821650838.db2.gz KWFSNULJGMQHOW-UHFFFAOYSA-N 2 2 294.399 0.765 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCC[N@H+]2CCCOCC2)c[nH+]1 ZINC000825286182 821650841 /nfs/dbraw/zinc/65/08/41/821650841.db2.gz KWFSNULJGMQHOW-UHFFFAOYSA-N 2 2 294.399 0.765 20 0 CCADLP CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001085682478 821898291 /nfs/dbraw/zinc/89/82/91/821898291.db2.gz VAEFCUHMRRYGTE-JSGCOSHPSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001085682478 821898298 /nfs/dbraw/zinc/89/82/98/821898298.db2.gz VAEFCUHMRRYGTE-JSGCOSHPSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@@H]1CCCCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C1 ZINC001157780186 837429840 /nfs/dbraw/zinc/42/98/40/837429840.db2.gz CQYPZGAZNBGAOX-YPMHNXCESA-N 2 2 264.373 0.939 20 0 CCADLP CCc1noc(C[NH2+]CCNC(=O)[C@@H](C2CC2)[NH+](C)C)n1 ZINC001129444870 837507003 /nfs/dbraw/zinc/50/70/03/837507003.db2.gz ZZOITHMKOKIMFA-CYBMUJFWSA-N 2 2 295.387 0.178 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C)o1 ZINC001129949373 837588866 /nfs/dbraw/zinc/58/88/66/837588866.db2.gz BUEFOVXCUJWTQH-PWSUYJOCSA-N 2 2 297.403 0.731 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCC[NH2+]CCF)c[nH+]1 ZINC001130164778 837712619 /nfs/dbraw/zinc/71/26/19/837712619.db2.gz FTRFPHITQBCIJO-UHFFFAOYSA-N 2 2 256.325 0.602 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)[C@@H]2CCCC[N@@H+]2C)o1 ZINC001130297300 837751493 /nfs/dbraw/zinc/75/14/93/837751493.db2.gz KHGRGMWXYUEHSV-ZDUSSCGKSA-N 2 2 294.399 0.927 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)[C@@H]2CCCC[N@H+]2C)o1 ZINC001130297300 837751498 /nfs/dbraw/zinc/75/14/98/837751498.db2.gz KHGRGMWXYUEHSV-ZDUSSCGKSA-N 2 2 294.399 0.927 20 0 CCADLP C[C@@H](O)CCC[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130405126 837786976 /nfs/dbraw/zinc/78/69/76/837786976.db2.gz XWRLRIXCNOCODV-CHWSQXEVSA-N 2 2 294.399 0.312 20 0 CCADLP CC(C)C[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130490512 837810282 /nfs/dbraw/zinc/81/02/82/837810282.db2.gz DDKJGGRXLRTFME-LBPRGKRZSA-N 2 2 264.373 0.807 20 0 CCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[NH2+]CCF)C2 ZINC001130490514 837810317 /nfs/dbraw/zinc/81/03/17/837810317.db2.gz DFKCPSBXGRVOIH-SNVBAGLBSA-N 2 2 268.336 0.498 20 0 CCADLP O=C(NCC[NH2+]Cc1ccccn1)[C@H]1CCn2cc[nH+]c2C1 ZINC001130481497 837805864 /nfs/dbraw/zinc/80/58/64/837805864.db2.gz UXVHCMAIMPPMQJ-ZDUSSCGKSA-N 2 2 299.378 0.747 20 0 CCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[NH2+]CCF)CC2 ZINC001130490514 837810321 /nfs/dbraw/zinc/81/03/21/837810321.db2.gz DFKCPSBXGRVOIH-SNVBAGLBSA-N 2 2 268.336 0.498 20 0 CCADLP CC(C)OCC[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130484172 837807694 /nfs/dbraw/zinc/80/76/94/837807694.db2.gz GQRAZAVOSLJEHB-ZDUSSCGKSA-N 2 2 294.399 0.576 20 0 CCADLP O=C(NCC[NH2+]Cc1cccnc1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130484636 837808009 /nfs/dbraw/zinc/80/80/09/837808009.db2.gz RWAOKLVUPPJGTA-CQSZACIVSA-N 2 2 299.378 0.747 20 0 CCADLP CO[C@@H](C)C[NH2+]CCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001130490502 837811362 /nfs/dbraw/zinc/81/13/62/837811362.db2.gz CXOOHQSNRLMSNK-JQWIXIFHSA-N 2 2 294.399 0.564 20 0 CCADLP CO[C@@H](C)C[NH2+]CCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001130490502 837811372 /nfs/dbraw/zinc/81/13/72/837811372.db2.gz CXOOHQSNRLMSNK-JQWIXIFHSA-N 2 2 294.399 0.564 20 0 CCADLP O=C(NCC[NH2+]C/C=C\Cl)[C@H]1CCc2c[nH+]cn2C1 ZINC001130488692 837812513 /nfs/dbraw/zinc/81/25/13/837812513.db2.gz UXHTYCJFLCOLAW-WYEHYUNLSA-N 2 2 282.775 0.904 20 0 CCADLP C[C@H](O)CCC[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130487889 837813103 /nfs/dbraw/zinc/81/31/03/837813103.db2.gz KAPITKKVSQQTFK-QWHCGFSZSA-N 2 2 294.399 0.312 20 0 CCADLP CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001108399131 835999328 /nfs/dbraw/zinc/99/93/28/835999328.db2.gz MRIMWAHJCFEDLZ-AWEZNQCLSA-N 2 2 269.389 0.309 20 0 CCADLP CC[N@H+]1CCO[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001108399131 835999339 /nfs/dbraw/zinc/99/93/39/835999339.db2.gz MRIMWAHJCFEDLZ-AWEZNQCLSA-N 2 2 269.389 0.309 20 0 CCADLP COc1c(Cl)ncnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169066419 836122465 /nfs/dbraw/zinc/12/24/65/836122465.db2.gz AXTHEVOVZPWSBM-SSDOTTSWSA-N 2 2 283.719 0.186 20 0 CCADLP Cc1cn(-c2cc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)ncn2)cn1 ZINC001169071240 836124344 /nfs/dbraw/zinc/12/43/44/836124344.db2.gz IQIPYGNWTUVQPP-LLVKDONJSA-N 2 2 299.338 0.019 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cnc(C(F)(F)F)nc1 ZINC001169073815 836126539 /nfs/dbraw/zinc/12/65/39/836126539.db2.gz MCUGUTZKDQUGSM-SSDOTTSWSA-N 2 2 287.245 0.543 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nccc2cc[nH]c21 ZINC001169073844 836126747 /nfs/dbraw/zinc/12/67/47/836126747.db2.gz FHVBDAJNOKRART-SNVBAGLBSA-N 2 2 257.297 0.611 20 0 CCADLP Cc1cc2c(cc1-n1c[nH+]cc1C[C@@H]([NH3+])CO)CC(=O)N2 ZINC001169074362 836127482 /nfs/dbraw/zinc/12/74/82/836127482.db2.gz KOMGWNJIRJDVLM-LLVKDONJSA-N 2 2 286.335 0.537 20 0 CCADLP C[C@H]1c2ccc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)cc2NC1=O ZINC001169075324 836129131 /nfs/dbraw/zinc/12/91/31/836129131.db2.gz XYJDQFFQIKWRJQ-VHSXEESVSA-N 2 2 286.335 0.790 20 0 CCADLP CC(=O)N1CCC[C@@H]([NH2+]CCc2[nH+]ccn2C)C1 ZINC001169596478 836369526 /nfs/dbraw/zinc/36/95/26/836369526.db2.gz IGDOQKBVWUCNST-GFCCVEGCSA-N 2 2 250.346 0.563 20 0 CCADLP C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO)n1cc[nH+]c1 ZINC001109773012 836726255 /nfs/dbraw/zinc/72/62/55/836726255.db2.gz BPTHJKKKUMIJIZ-MQYQWHSLSA-N 2 2 292.383 0.548 20 0 CCADLP Cn1c[nH+]cc1CN1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001113267827 837071706 /nfs/dbraw/zinc/07/17/06/837071706.db2.gz BZCWWJNXOKNEAL-UHFFFAOYSA-N 2 2 293.415 0.406 20 0 CCADLP CCOCCC[NH+]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001113384869 837104383 /nfs/dbraw/zinc/10/43/83/837104383.db2.gz PHEHQPYDRHXSPG-UHFFFAOYSA-N 2 2 280.372 0.523 20 0 CCADLP CC[NH+](CC)[C@H](C(=O)N1CC[NH+](CCO)CC1)C(C)C ZINC001113441757 837115643 /nfs/dbraw/zinc/11/56/43/837115643.db2.gz RMYJPVSHTDSNCJ-AWEZNQCLSA-N 2 2 285.432 0.489 20 0 CCADLP CC[C@H]1C[C@@H](NC(=[NH2+])N2CC[NH+](C)CC2)CCO1 ZINC001170176552 837249096 /nfs/dbraw/zinc/24/90/96/837249096.db2.gz YKSONULXIZVNMS-RYUDHWBXSA-N 2 2 254.378 0.716 20 0 CCADLP COC(=O)[C@@H]1CC[C@H](NC(=[NH2+])N2CC[NH+](C)CC2)C1 ZINC001170512294 837919836 /nfs/dbraw/zinc/91/98/36/837919836.db2.gz LTJAKONTEOHCGT-MNOVXSKESA-N 2 2 268.361 0.100 20 0 CCADLP CCOC(=O)C1C[NH2+]CCC1=Nc1cnc(C[NH3+])nc1 ZINC001170516423 837934072 /nfs/dbraw/zinc/93/40/72/837934072.db2.gz BZBRDSJDPXUETO-UHFFFAOYSA-N 2 2 277.328 0.158 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Nc2ccc3c(n2)CC[NH2+]C3)C[NH2+]1 ZINC001158254331 838006704 /nfs/dbraw/zinc/00/67/04/838006704.db2.gz POOZSZBVERFJNQ-PWSUYJOCSA-N 2 2 276.340 0.043 20 0 CCADLP COC[C@H](C)[NH2+]CCNC(=O)c1cccc2[nH+]ccn21 ZINC001131273402 838027648 /nfs/dbraw/zinc/02/76/48/838027648.db2.gz KCWCWIMQDHXCDL-NSHDSACASA-N 2 2 276.340 0.689 20 0 CCADLP O=C(NCC[NH2+]C[C@H]1CCOC1)c1cccc2[nH+]ccn21 ZINC001131273415 838028291 /nfs/dbraw/zinc/02/82/91/838028291.db2.gz KUMQJGOXSIQEQJ-GFCCVEGCSA-N 2 2 288.351 0.690 20 0 CCADLP Cc1conc1C[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131385454 838071453 /nfs/dbraw/zinc/07/14/53/838071453.db2.gz SBFOGQVIFSJASO-UHFFFAOYSA-N 2 2 277.328 0.394 20 0 CCADLP O=C(NCC[NH2+]Cc1cnon1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131790708 838219196 /nfs/dbraw/zinc/21/91/96/838219196.db2.gz STAOJCOBKQMTCF-ZDUSSCGKSA-N 2 2 293.371 0.150 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)CCn1cc[nH+]c1)c1cnccn1 ZINC001132081791 838312375 /nfs/dbraw/zinc/31/23/75/838312375.db2.gz DQPYABPTUNOKRO-LBPRGKRZSA-N 2 2 288.355 0.530 20 0 CCADLP C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CCF ZINC001133196620 838574046 /nfs/dbraw/zinc/57/40/46/838574046.db2.gz VIQZYMFZNXCRGI-VXGBXAGGSA-N 2 2 282.363 0.996 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)C2CC[NH+](C)CC2)o1 ZINC001133281688 838585134 /nfs/dbraw/zinc/58/51/34/838585134.db2.gz HWHAJBOXLUKHSD-JTQLQIEISA-N 2 2 295.387 0.487 20 0 CCADLP O=C(NCC[NH2+]CCCF)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001133662999 838691036 /nfs/dbraw/zinc/69/10/36/838691036.db2.gz AKKQKJJPSXPKDR-SNVBAGLBSA-N 2 2 268.336 0.895 20 0 CCADLP CC[C@H](C(=O)NCC[NH2+]Cc1nnc(C)o1)[NH+](CC)CC ZINC001133684606 838696100 /nfs/dbraw/zinc/69/61/00/838696100.db2.gz KMTZMTFSOXKLRV-GFCCVEGCSA-N 2 2 297.403 0.704 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)o1 ZINC001133853835 838741612 /nfs/dbraw/zinc/74/16/12/838741612.db2.gz QOPHFIUVRBJIKH-GFCCVEGCSA-N 2 2 294.399 0.785 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)C[N@H+]2CC[C@@H](C)C2)o1 ZINC001133853835 838741619 /nfs/dbraw/zinc/74/16/19/838741619.db2.gz QOPHFIUVRBJIKH-GFCCVEGCSA-N 2 2 294.399 0.785 20 0 CCADLP COCC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001185204954 844362452 /nfs/dbraw/zinc/36/24/52/844362452.db2.gz LDHVXXXXXDZPFC-QWHCGFSZSA-N 2 2 294.399 0.673 20 0 CCADLP COCC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001185204951 844363113 /nfs/dbraw/zinc/36/31/13/844363113.db2.gz LDHVXXXXXDZPFC-CHWSQXEVSA-N 2 2 294.399 0.673 20 0 CCADLP C[N@@H+](CC(=O)NCC[NH2+]Cc1ncccn1)CC(C)(C)C ZINC001133899507 838775180 /nfs/dbraw/zinc/77/51/80/838775180.db2.gz JQCHESRYIMLCNZ-UHFFFAOYSA-N 2 2 293.415 0.660 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)O1 ZINC001134393653 838964772 /nfs/dbraw/zinc/96/47/72/838964772.db2.gz QTTPWEOXTWUMQQ-PWSUYJOCSA-N 2 2 266.345 0.226 20 0 CCADLP C[C@@H](CC(=O)NCC[NH2+]Cc1cnns1)n1cc[nH+]c1 ZINC001134499073 838994469 /nfs/dbraw/zinc/99/44/69/838994469.db2.gz VXGPKJYLYMTQAV-JTQLQIEISA-N 2 2 294.384 0.592 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C(=O)NCc1[nH+]cn2ccccc12 ZINC001185266482 844389985 /nfs/dbraw/zinc/38/99/85/844389985.db2.gz APYDSIRVKNJTTL-CQSZACIVSA-N 2 2 287.367 0.196 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C(=O)NCc1[nH+]cn2ccccc12 ZINC001185266482 844389993 /nfs/dbraw/zinc/38/99/93/844389993.db2.gz APYDSIRVKNJTTL-CQSZACIVSA-N 2 2 287.367 0.196 20 0 CCADLP C[C@@H](C(=O)NCC[NH2+]Cc1cnon1)[NH+]1CCCCCC1 ZINC001134757943 839071038 /nfs/dbraw/zinc/07/10/38/839071038.db2.gz ULDIULULFPWULC-LBPRGKRZSA-N 2 2 295.387 0.540 20 0 CCADLP CC(C)Oc1cc(N[C@H]2C[NH2+]C[C@H]2CO)cc[nH+]1 ZINC001170782977 839132397 /nfs/dbraw/zinc/13/23/97/839132397.db2.gz WVSNMOCHNIDOLD-JQWIXIFHSA-N 2 2 251.330 0.861 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]C[C@H]1CCOC1 ZINC001135072423 839150563 /nfs/dbraw/zinc/15/05/63/839150563.db2.gz VVFXQDLYLCXPQP-VXGBXAGGSA-N 2 2 280.372 0.331 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]C[C@H]1CCOC1 ZINC001135072423 839150575 /nfs/dbraw/zinc/15/05/75/839150575.db2.gz VVFXQDLYLCXPQP-VXGBXAGGSA-N 2 2 280.372 0.331 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)NCC[NH2+]Cc1cnon1 ZINC001135305176 839203626 /nfs/dbraw/zinc/20/36/26/839203626.db2.gz LKGQOTFOMIXQQH-UHFFFAOYSA-N 2 2 292.343 0.261 20 0 CCADLP COCC[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001185372446 844411192 /nfs/dbraw/zinc/41/11/92/844411192.db2.gz XVVARQVPUWWIMJ-OLZOCXBDSA-N 2 2 294.399 0.673 20 0 CCADLP CCc1nnc([C@H](C)[NH2+]CCNC(=O)C[NH+](CC)CC)[nH]1 ZINC001135510928 839278065 /nfs/dbraw/zinc/27/80/65/839278065.db2.gz IQJXILRQBZMLJD-NSHDSACASA-N 2 2 296.419 0.476 20 0 CCADLP C[C@H](C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1)[NH2+]CCF ZINC001135553046 839294549 /nfs/dbraw/zinc/29/45/49/839294549.db2.gz OPPTVAORSIKMPG-ZJUUUORDSA-N 2 2 256.325 0.795 20 0 CCADLP Cc1nonc1C[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135707002 839368511 /nfs/dbraw/zinc/36/85/11/839368511.db2.gz QOCLGNJATKGHSL-UHFFFAOYSA-N 2 2 295.387 0.316 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]C[C@H]1CCCCO1 ZINC001135757860 839391427 /nfs/dbraw/zinc/39/14/27/839391427.db2.gz SNLRWOKTIOTMDX-LLVKDONJSA-N 2 2 266.345 0.227 20 0 CCADLP COCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001135944350 839475095 /nfs/dbraw/zinc/47/50/95/839475095.db2.gz IRSPUECGWRGXHP-CHWSQXEVSA-N 2 2 296.415 0.872 20 0 CCADLP COCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001135945187 839475253 /nfs/dbraw/zinc/47/52/53/839475253.db2.gz WGTAHLVBLLSRRV-NWDGAFQWSA-N 2 2 282.388 0.482 20 0 CCADLP C[C@H](C[C@H](C)[NH2+]CCCO)NC(=O)Cc1c[nH+]cn1C ZINC001135949256 839477410 /nfs/dbraw/zinc/47/74/10/839477410.db2.gz KLUWWVWYSXKKMA-NWDGAFQWSA-N 2 2 282.388 0.218 20 0 CCADLP CS(=O)(=O)C1CCC([NH2+][C@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246088461 839601382 /nfs/dbraw/zinc/60/13/82/839601382.db2.gz UQWKUXBRUGDTFK-QQFIATSDSA-N 2 2 278.393 0.632 20 0 CCADLP C[C@H]1CC[C@@H](C[NH2+]C2CCS(=O)(=O)CC2)[NH2+]C1 ZINC001246110442 839622693 /nfs/dbraw/zinc/62/26/93/839622693.db2.gz ILUZQURIBQHDND-JQWIXIFHSA-N 2 2 260.403 0.541 20 0 CCADLP CCCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090727140 839757824 /nfs/dbraw/zinc/75/78/24/839757824.db2.gz HULAMDVVEHTXQY-KBPBESRZSA-N 2 2 294.399 0.314 20 0 CCADLP CCCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@@H](O)C1 ZINC001090727140 839757836 /nfs/dbraw/zinc/75/78/36/839757836.db2.gz HULAMDVVEHTXQY-KBPBESRZSA-N 2 2 294.399 0.314 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@@H](NC[C@H]([NH3+])CC(C)C)C[NH2+]1 ZINC001246308026 839782122 /nfs/dbraw/zinc/78/21/22/839782122.db2.gz GGIOYEPOEXZJDE-YRGRVCCFSA-N 2 2 271.405 0.633 20 0 CCADLP C[C@@H]1C[C@@H](N[C@@H]2C[NH2+][C@H](C(=O)OC(C)(C)C)C2)C[NH2+]1 ZINC001246361569 839818962 /nfs/dbraw/zinc/81/89/62/839818962.db2.gz INFJSTPPSRGHDL-WYUUTHIRSA-N 2 2 269.389 0.399 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CCC2CC2)C[C@H]1O ZINC001090847242 839851652 /nfs/dbraw/zinc/85/16/52/839851652.db2.gz PUHXPYFNDXMIGC-ZIAGYGMSSA-N 2 2 292.383 0.235 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](CCC2CC2)C[C@H]1O ZINC001090847242 839851658 /nfs/dbraw/zinc/85/16/58/839851658.db2.gz PUHXPYFNDXMIGC-ZIAGYGMSSA-N 2 2 292.383 0.235 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+](CC2CCC2)C[C@@H]1O ZINC001090846661 839851843 /nfs/dbraw/zinc/85/18/43/839851843.db2.gz HOFDHGFUSBCXFE-KBPBESRZSA-N 2 2 292.383 0.235 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+](CC2CCC2)C[C@@H]1O ZINC001090846661 839851847 /nfs/dbraw/zinc/85/18/47/839851847.db2.gz HOFDHGFUSBCXFE-KBPBESRZSA-N 2 2 292.383 0.235 20 0 CCADLP COc1ccc(C[N@H+](C)CCN2CC[NH+](C)CC2)cn1 ZINC001137037617 839859238 /nfs/dbraw/zinc/85/92/38/839859238.db2.gz MJIZJLPLLJHWII-UHFFFAOYSA-N 2 2 278.400 0.769 20 0 CCADLP COc1ccc(C[N@@H+](C)CCN2CC[NH+](C)CC2)cn1 ZINC001137037617 839859244 /nfs/dbraw/zinc/85/92/44/839859244.db2.gz MJIZJLPLLJHWII-UHFFFAOYSA-N 2 2 278.400 0.769 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)CC1CC[NH+](C)CC1 ZINC001143360567 839862719 /nfs/dbraw/zinc/86/27/19/839862719.db2.gz YJBRTHJXXIZREQ-UHFFFAOYSA-N 2 2 294.399 0.878 20 0 CCADLP C[C@H](CCCC[NH2+]CCCO)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171152666 839983116 /nfs/dbraw/zinc/98/31/16/839983116.db2.gz SGAWQMNVKAOHRN-CYBMUJFWSA-N 2 2 296.415 0.989 20 0 CCADLP C[C@H](CCCC[NH2+]CCCO)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171152666 839983129 /nfs/dbraw/zinc/98/31/29/839983129.db2.gz SGAWQMNVKAOHRN-CYBMUJFWSA-N 2 2 296.415 0.989 20 0 CCADLP CN(CCc1cccs1)C(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160531147 839988642 /nfs/dbraw/zinc/98/86/42/839988642.db2.gz GUWXHUFASRSJHC-FZMZJTMJSA-N 2 2 279.409 0.701 20 0 CCADLP CC(C)(C)[NH+]1CCN(C(=O)[C@H]([NH3+])Cc2c[nH]cn2)CC1 ZINC001160576788 840027472 /nfs/dbraw/zinc/02/74/72/840027472.db2.gz DLBHQNFFYLVCOS-GFCCVEGCSA-N 2 2 279.388 0.222 20 0 CCADLP CC(C)(C)[NH+]1CCN(C(=O)[C@H]([NH3+])Cc2cnc[nH]2)CC1 ZINC001160576788 840027480 /nfs/dbraw/zinc/02/74/80/840027480.db2.gz DLBHQNFFYLVCOS-GFCCVEGCSA-N 2 2 279.388 0.222 20 0 CCADLP C1[NH2+]CC12C[C@H]([NH+]1CCC3(CCCC[NH2+]3)CC1)CCN2 ZINC001246614387 840184502 /nfs/dbraw/zinc/18/45/02/840184502.db2.gz SNKQICNFKJUZKK-CQSZACIVSA-N 3 2 278.444 0.689 20 0 CCADLP CCCC[C@H]1C[C@H]([N@@H+]2CCN[C@H](C(=O)OC)C2)CC[NH2+]1 ZINC001246795854 840250788 /nfs/dbraw/zinc/25/07/88/840250788.db2.gz HRKOCSKSWYXCRM-MJBXVCDLSA-N 2 2 283.416 0.744 20 0 CCADLP CCCC[C@H]1C[C@H]([N@H+]2CCN[C@H](C(=O)OC)C2)CC[NH2+]1 ZINC001246795854 840250792 /nfs/dbraw/zinc/25/07/92/840250792.db2.gz HRKOCSKSWYXCRM-MJBXVCDLSA-N 2 2 283.416 0.744 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001186221721 844522077 /nfs/dbraw/zinc/52/20/77/844522077.db2.gz MSXSSCYHJSYJSB-NWDGAFQWSA-N 2 2 280.372 0.425 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001186221721 844522080 /nfs/dbraw/zinc/52/20/80/844522080.db2.gz MSXSSCYHJSYJSB-NWDGAFQWSA-N 2 2 280.372 0.425 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)CO1 ZINC001246866621 840337770 /nfs/dbraw/zinc/33/77/70/840337770.db2.gz FXILPBPPKKUCAM-ZPFDUUQYSA-N 2 2 254.330 0.130 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2C[C@@H]3C[C@]3([NH3+])C2)CO1 ZINC001246866621 840337787 /nfs/dbraw/zinc/33/77/87/840337787.db2.gz FXILPBPPKKUCAM-ZPFDUUQYSA-N 2 2 254.330 0.130 20 0 CCADLP CCOCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001146772158 840362571 /nfs/dbraw/zinc/36/25/71/840362571.db2.gz RTNVQKOKZITLLP-QWHCGFSZSA-N 2 2 282.388 0.793 20 0 CCADLP CC[NH+]1CCC(C(=O)N2CC[N@H+](C)C[C@H]2C(=O)OC)CC1 ZINC001146781238 840363195 /nfs/dbraw/zinc/36/31/95/840363195.db2.gz CELRPUVXVYOIIZ-ZDUSSCGKSA-N 2 2 297.399 0.034 20 0 CCADLP CC[NH+]1CCC(C(=O)N2CC[N@@H+](C)C[C@H]2C(=O)OC)CC1 ZINC001146781238 840363205 /nfs/dbraw/zinc/36/32/05/840363205.db2.gz CELRPUVXVYOIIZ-ZDUSSCGKSA-N 2 2 297.399 0.034 20 0 CCADLP CC[NH+]1CCC(C(=O)NCC2([NH+]3CCCC3)COC2)CC1 ZINC001146787126 840377452 /nfs/dbraw/zinc/37/74/52/840377452.db2.gz IJAYPYLWARNXNC-UHFFFAOYSA-N 2 2 295.427 0.699 20 0 CCADLP FC(F)(F)CN1CCC([N@@H+]2C[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246922776 840548133 /nfs/dbraw/zinc/54/81/33/840548133.db2.gz WZCBXCVJGPTDON-ONGXEEELSA-N 2 2 263.307 0.917 20 0 CCADLP FC(F)(F)CN1CCC([N@H+]2C[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001246922776 840548143 /nfs/dbraw/zinc/54/81/43/840548143.db2.gz WZCBXCVJGPTDON-ONGXEEELSA-N 2 2 263.307 0.917 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([N@H+](C)C[C@@H]([NH3+])CC)CN1 ZINC001246973103 840651482 /nfs/dbraw/zinc/65/14/82/840651482.db2.gz HNXHUOXJMPQUSL-TUAOUCFPSA-N 2 2 257.378 0.339 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+](C)C[C@@H]([NH3+])CC)CN1 ZINC001246973103 840651485 /nfs/dbraw/zinc/65/14/85/840651485.db2.gz HNXHUOXJMPQUSL-TUAOUCFPSA-N 2 2 257.378 0.339 20 0 CCADLP C[C@@H]1CC[C@@H](N2CC([N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)C[NH2+]1 ZINC001246986249 840690558 /nfs/dbraw/zinc/69/05/58/840690558.db2.gz GLUCVSFCSKQHFH-YIYPIFLZSA-N 2 2 267.417 0.920 20 0 CCADLP C[C@@H]1CC[C@@H](N2CC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)C[NH2+]1 ZINC001246986249 840690559 /nfs/dbraw/zinc/69/05/59/840690559.db2.gz GLUCVSFCSKQHFH-YIYPIFLZSA-N 2 2 267.417 0.920 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CC1CCCC1 ZINC001147871599 840708489 /nfs/dbraw/zinc/70/84/89/840708489.db2.gz DGFZYDZRWOXTBW-UHFFFAOYSA-N 2 2 264.373 0.859 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)C12CC[NH+](CC1)C2)c1csnn1 ZINC001147977330 840725757 /nfs/dbraw/zinc/72/57/57/840725757.db2.gz OECJJLGRPDVQBA-SNVBAGLBSA-N 2 2 295.412 0.401 20 0 CCADLP Cc1cnc([C@H](C)[NH2+]CCNC(=O)C23CC[NH+](CC2)C3)o1 ZINC001147977649 840726209 /nfs/dbraw/zinc/72/62/09/840726209.db2.gz UDCNBGSENKHHDL-LBPRGKRZSA-N 2 2 292.383 0.846 20 0 CCADLP C[NH+](C)CCCCC(=O)NCC[NH2+]Cc1cnon1 ZINC001148365668 840795015 /nfs/dbraw/zinc/79/50/15/840795015.db2.gz VYOYCDDGBIAYKY-UHFFFAOYSA-N 2 2 269.349 0.007 20 0 CCADLP CC[C@H](C[NH2+]CCNC(=O)CCc1c[nH+]cn1C)OC ZINC001149571319 840965640 /nfs/dbraw/zinc/96/56/40/840965640.db2.gz YBCULVBKAYUSEL-CYBMUJFWSA-N 2 2 282.388 0.484 20 0 CCADLP COCC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036830760 841338305 /nfs/dbraw/zinc/33/83/05/841338305.db2.gz ZYRLQUKJSJHUSR-JSGCOSHPSA-N 2 2 292.383 0.521 20 0 CCADLP COCC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001036830760 841338316 /nfs/dbraw/zinc/33/83/16/841338316.db2.gz ZYRLQUKJSJHUSR-JSGCOSHPSA-N 2 2 292.383 0.521 20 0 CCADLP Cc1nnc(C[NH3+])n1C1C[C@@H]2COC[C@H](C1)[N@@H+]2C ZINC001172134092 841839642 /nfs/dbraw/zinc/83/96/42/841839642.db2.gz JJNGUWCEOKUSOU-FGWVZKOKSA-N 2 2 251.334 0.079 20 0 CCADLP Cc1nnc(C[NH3+])n1C1C[C@@H]2COC[C@H](C1)[N@H+]2C ZINC001172134092 841839645 /nfs/dbraw/zinc/83/96/45/841839645.db2.gz JJNGUWCEOKUSOU-FGWVZKOKSA-N 2 2 251.334 0.079 20 0 CCADLP COCCC[NH+]1CCC([NH2+][C@]2(C)CCC(=O)NC2=O)CC1 ZINC001172246584 841910280 /nfs/dbraw/zinc/91/02/80/841910280.db2.gz OJSDPBVILXLKHR-OAHLLOKOSA-N 2 2 297.399 0.272 20 0 CCADLP COCCC[NH+]1CCC([NH+]2CC3(COC3)C2)CC1 ZINC001172250445 841913801 /nfs/dbraw/zinc/91/38/01/841913801.db2.gz RYEOYEJZIBRJHC-UHFFFAOYSA-N 2 2 254.374 0.820 20 0 CCADLP [NH3+]CC[N@H+](CCO)[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172662115 841950989 /nfs/dbraw/zinc/95/09/89/841950989.db2.gz AZINXYCZDCLRHC-OAHLLOKOSA-N 2 2 291.395 0.431 20 0 CCADLP [NH3+]CC[N@@H+](CCO)[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172662115 841950992 /nfs/dbraw/zinc/95/09/92/841950992.db2.gz AZINXYCZDCLRHC-OAHLLOKOSA-N 2 2 291.395 0.431 20 0 CCADLP CC(C)(C)OC(=O)C[NH+]1CCC(n2nnnc2C[NH3+])CC1 ZINC001172888711 841982210 /nfs/dbraw/zinc/98/22/10/841982210.db2.gz GVUAHNCQZXVBIE-UHFFFAOYSA-N 2 2 296.375 0.110 20 0 CCADLP CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]cn1C)C2 ZINC001095039654 842007674 /nfs/dbraw/zinc/00/76/74/842007674.db2.gz XTDDOHOLKCPZKG-AVGNSLFASA-N 2 2 276.384 0.952 20 0 CCADLP CCN(C)c1cc(NC[C@@H]2COCC[NH2+]2)nc[nH+]1 ZINC000259005284 842077653 /nfs/dbraw/zinc/07/76/53/842077653.db2.gz FOKLIVBBQOUCJL-SNVBAGLBSA-N 2 2 251.334 0.333 20 0 CCADLP CCOC(=O)C[C@H]1CC[C@@H](NC(=[NH2+])N2CC[NH+](C)CC2)C1 ZINC001173644871 842129807 /nfs/dbraw/zinc/12/98/07/842129807.db2.gz UQSQFNJVBASTDE-QWHCGFSZSA-N 2 2 296.415 0.880 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]CC[C@H]1CCOC1 ZINC001174692001 842200858 /nfs/dbraw/zinc/20/08/58/842200858.db2.gz OOAKGRUCQMIDTO-ZDUSSCGKSA-N 2 2 294.399 0.783 20 0 CCADLP C[N@@H+]1CCC[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC001176877408 842436956 /nfs/dbraw/zinc/43/69/56/842436956.db2.gz CYABMVBESPIHTE-STQMWFEESA-N 2 2 262.357 0.826 20 0 CCADLP C[N@H+]1CCC[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC001176877408 842436958 /nfs/dbraw/zinc/43/69/58/842436958.db2.gz CYABMVBESPIHTE-STQMWFEESA-N 2 2 262.357 0.826 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[C@H]2OCC[N@@H+](CC)[C@H]2C1 ZINC001177119512 842501999 /nfs/dbraw/zinc/50/19/99/842501999.db2.gz OKBLYTAPAQXNJU-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NCCC[NH2+]C[C@H]1CCOC1 ZINC001177351715 842562661 /nfs/dbraw/zinc/56/26/61/842562661.db2.gz NSZUDJDRICNZJF-CQSZACIVSA-N 2 2 294.399 0.796 20 0 CCADLP CN(CC(=O)NC(=N)SCC[NH3+])c1cccc[nH+]1 ZINC001177414076 842584838 /nfs/dbraw/zinc/58/48/38/842584838.db2.gz RBSRRZHYIWJGCT-UHFFFAOYSA-N 2 2 267.358 0.261 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCCNC(=O)Cn2cc[nH+]c2)o1 ZINC001177411365 842585126 /nfs/dbraw/zinc/58/51/26/842585126.db2.gz LHSXKYKJJHQNJW-JTQLQIEISA-N 2 2 292.343 0.432 20 0 CCADLP O=C(/C=C\C[NH+]1CCOCC1)NC[C@@H]1C[NH+]2CCC1CC2 ZINC001179900324 843073280 /nfs/dbraw/zinc/07/32/80/843073280.db2.gz VTEKYPDOMIADEV-DJYNDVHFSA-N 2 2 293.411 0.333 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001180006520 843097425 /nfs/dbraw/zinc/09/74/25/843097425.db2.gz BDBIMVRNJUUCGW-RYUDHWBXSA-N 2 2 280.372 0.486 20 0 CCADLP CC(C)[NH+]1CCN(CC(=O)NCCn2cc[nH+]c2)CC1 ZINC001180342267 843146818 /nfs/dbraw/zinc/14/68/18/843146818.db2.gz OCHFCERDDUJWEU-UHFFFAOYSA-N 2 2 279.388 0.025 20 0 CCADLP C[N@H+](CC(=O)NC[C@H]1C[NH+](C)CCO1)C1CCCC1 ZINC001180629376 843232943 /nfs/dbraw/zinc/23/29/43/843232943.db2.gz KCKNXFYUEWMRNW-ZDUSSCGKSA-N 2 2 269.389 0.308 20 0 CCADLP C[N@@H+](CC(=O)NC[C@H]1C[NH+](C)CCO1)C1CCCC1 ZINC001180629376 843232957 /nfs/dbraw/zinc/23/29/57/843232957.db2.gz KCKNXFYUEWMRNW-ZDUSSCGKSA-N 2 2 269.389 0.308 20 0 CCADLP C[NH+](CC(=O)NC[C@H]1C[N@H+](C)CCO1)C1CCCC1 ZINC001180629376 843232968 /nfs/dbraw/zinc/23/29/68/843232968.db2.gz KCKNXFYUEWMRNW-ZDUSSCGKSA-N 2 2 269.389 0.308 20 0 CCADLP C[NH+](CC(=O)NC[C@H]1C[N@@H+](C)CCO1)C1CCCC1 ZINC001180629376 843232980 /nfs/dbraw/zinc/23/29/80/843232980.db2.gz KCKNXFYUEWMRNW-ZDUSSCGKSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CC12CCC[NH+]1CCC2 ZINC001181110964 843403006 /nfs/dbraw/zinc/40/30/06/843403006.db2.gz QYICXTLQQYRPBC-CQSZACIVSA-N 2 2 295.427 0.842 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)CC12CCC[NH+]1CCC2 ZINC001181110964 843403009 /nfs/dbraw/zinc/40/30/09/843403009.db2.gz QYICXTLQQYRPBC-CQSZACIVSA-N 2 2 295.427 0.842 20 0 CCADLP COC(=O)c1ccc(OC)c(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206464063 843625023 /nfs/dbraw/zinc/62/50/23/843625023.db2.gz IYYFTFGKKKCSQK-QWHCGFSZSA-N 2 2 294.351 0.233 20 0 CCADLP COC(=O)c1ccc(OC)c(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206464063 843625026 /nfs/dbraw/zinc/62/50/26/843625026.db2.gz IYYFTFGKKKCSQK-QWHCGFSZSA-N 2 2 294.351 0.233 20 0 CCADLP Cc1cccc2ncc(C[N@@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)n21 ZINC001206465041 843634112 /nfs/dbraw/zinc/63/41/12/843634112.db2.gz VUYYGQFTFBDQFC-WCQYABFASA-N 2 2 260.341 0.394 20 0 CCADLP Cc1cccc2ncc(C[N@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)n21 ZINC001206465041 843634116 /nfs/dbraw/zinc/63/41/16/843634116.db2.gz VUYYGQFTFBDQFC-WCQYABFASA-N 2 2 260.341 0.394 20 0 CCADLP Cc1cc(OC(C)C)ncc1C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206530223 843868741 /nfs/dbraw/zinc/86/87/41/843868741.db2.gz DZTIHWPYVXLHNP-JSGCOSHPSA-N 2 2 279.384 0.929 20 0 CCADLP Cc1cc(OC(C)C)ncc1C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206530223 843868750 /nfs/dbraw/zinc/86/87/50/843868750.db2.gz DZTIHWPYVXLHNP-JSGCOSHPSA-N 2 2 279.384 0.929 20 0 CCADLP CCCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001187092462 844649258 /nfs/dbraw/zinc/64/92/58/844649258.db2.gz UEVPNZHBKADPTC-GFCCVEGCSA-N 2 2 264.373 0.953 20 0 CCADLP CCOCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001187529415 844734736 /nfs/dbraw/zinc/73/47/36/844734736.db2.gz AMNDTERRYKKRCF-CYBMUJFWSA-N 2 2 294.399 0.580 20 0 CCADLP N=c1ncc(C[NH3+])cn1C(=O)c1ccccc1-n1cc[nH+]c1 ZINC001190113078 845336644 /nfs/dbraw/zinc/33/66/44/845336644.db2.gz HNXLSBHSKJIOEM-UHFFFAOYSA-N 2 2 294.318 0.695 20 0 CCADLP COC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001190557094 845428879 /nfs/dbraw/zinc/42/88/79/845428879.db2.gz JMZQJTSSZDFCMC-JSGCOSHPSA-N 2 2 294.399 0.910 20 0 CCADLP COC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001190557094 845428885 /nfs/dbraw/zinc/42/88/85/845428885.db2.gz JMZQJTSSZDFCMC-JSGCOSHPSA-N 2 2 294.399 0.910 20 0 CCADLP COC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001190557094 845428891 /nfs/dbraw/zinc/42/88/91/845428891.db2.gz JMZQJTSSZDFCMC-JSGCOSHPSA-N 2 2 294.399 0.910 20 0 CCADLP COC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001190557094 845428897 /nfs/dbraw/zinc/42/88/97/845428897.db2.gz JMZQJTSSZDFCMC-JSGCOSHPSA-N 2 2 294.399 0.910 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]([N@H+](C)CCCO)C1 ZINC001192779927 845907077 /nfs/dbraw/zinc/90/70/77/845907077.db2.gz XUCAIUQOAMIKDT-GXTWGEPZSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]([N@@H+](C)CCCO)C1 ZINC001192779927 845907089 /nfs/dbraw/zinc/90/70/89/845907089.db2.gz XUCAIUQOAMIKDT-GXTWGEPZSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]([N@H+](C)CCCO)C1 ZINC001192779927 845907092 /nfs/dbraw/zinc/90/70/92/845907092.db2.gz XUCAIUQOAMIKDT-GXTWGEPZSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]([N@@H+](C)CCCO)C1 ZINC001192779927 845907100 /nfs/dbraw/zinc/90/71/00/845907100.db2.gz XUCAIUQOAMIKDT-GXTWGEPZSA-N 2 2 294.399 0.503 20 0 CCADLP CO[C@@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194448452 846303278 /nfs/dbraw/zinc/30/32/78/846303278.db2.gz FVEUUPSAQSPDRZ-QWHCGFSZSA-N 2 2 280.372 0.451 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194448452 846303281 /nfs/dbraw/zinc/30/32/81/846303281.db2.gz FVEUUPSAQSPDRZ-QWHCGFSZSA-N 2 2 280.372 0.451 20 0 CCADLP O=C(NCC[NH+]1CC2(COC2)C1)c1ccc2c[nH+]cn2c1 ZINC001152206855 846516713 /nfs/dbraw/zinc/51/67/13/846516713.db2.gz NLBCTLRCNKOGKA-UHFFFAOYSA-N 2 2 286.335 0.396 20 0 CCADLP CCN(CC[NH2+]Cc1cnsn1)C(=O)C[NH+]1CCCC1 ZINC001273752955 846968247 /nfs/dbraw/zinc/96/82/47/846968247.db2.gz NCIYQRJGQLFIAL-UHFFFAOYSA-N 2 2 297.428 0.572 20 0 CCADLP COCCC[N@@H+]1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001197818248 846986414 /nfs/dbraw/zinc/98/64/14/846986414.db2.gz YRDNMKUAAYPPDO-UHFFFAOYSA-N 2 2 294.399 0.533 20 0 CCADLP COCCC[N@H+]1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001197818248 846986424 /nfs/dbraw/zinc/98/64/24/846986424.db2.gz YRDNMKUAAYPPDO-UHFFFAOYSA-N 2 2 294.399 0.533 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N1CCC[N@@H+](CCO)CC1 ZINC001198373278 847097032 /nfs/dbraw/zinc/09/70/32/847097032.db2.gz QJKOBJMUIHZCCK-UHFFFAOYSA-N 2 2 280.372 0.190 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N1CCC[N@H+](CCO)CC1 ZINC001198373278 847097047 /nfs/dbraw/zinc/09/70/47/847097047.db2.gz QJKOBJMUIHZCCK-UHFFFAOYSA-N 2 2 280.372 0.190 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1nnc(C)[nH]1 ZINC001152457983 847120182 /nfs/dbraw/zinc/12/01/82/847120182.db2.gz KCBITZYOYJXHBC-LBPRGKRZSA-N 2 2 294.403 0.193 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1nnc(C)[nH]1 ZINC001152457983 847120188 /nfs/dbraw/zinc/12/01/88/847120188.db2.gz KCBITZYOYJXHBC-LBPRGKRZSA-N 2 2 294.403 0.193 20 0 CCADLP CN1C(=O)C[C@@]2(CCC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001273829409 847616544 /nfs/dbraw/zinc/61/65/44/847616544.db2.gz BQGUSLNGLSUAFS-OAHLLOKOSA-N 2 2 279.384 0.552 20 0 CCADLP CN1C(=O)C[C@@]2(CCC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC001273829409 847616548 /nfs/dbraw/zinc/61/65/48/847616548.db2.gz BQGUSLNGLSUAFS-OAHLLOKOSA-N 2 2 279.384 0.552 20 0 CCADLP C[NH+]1CCC([N@H+](C[C@H](O)CO)C2CCCC2)CC1 ZINC001252063058 847752497 /nfs/dbraw/zinc/75/24/97/847752497.db2.gz XXJBNVUYBDSQLH-AWEZNQCLSA-N 2 2 256.390 0.678 20 0 CCADLP C[NH+]1CCC([N@@H+](C[C@H](O)CO)C2CCCC2)CC1 ZINC001252063058 847752501 /nfs/dbraw/zinc/75/25/01/847752501.db2.gz XXJBNVUYBDSQLH-AWEZNQCLSA-N 2 2 256.390 0.678 20 0 CCADLP COCC[NH2+]C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001201745426 847809715 /nfs/dbraw/zinc/80/97/15/847809715.db2.gz VEQLQRUPAVRTJF-UHFFFAOYSA-N 2 2 294.399 0.580 20 0 CCADLP COC(=O)c1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1 ZINC001205946362 847894416 /nfs/dbraw/zinc/89/44/16/847894416.db2.gz KQZABGJIBDOCHH-CHWSQXEVSA-N 2 2 264.325 0.367 20 0 CCADLP COC(=O)c1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1 ZINC001205946362 847894424 /nfs/dbraw/zinc/89/44/24/847894424.db2.gz KQZABGJIBDOCHH-CHWSQXEVSA-N 2 2 264.325 0.367 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH+]1CCC2(CCC(=O)N2C)CC1 ZINC001253192201 848154230 /nfs/dbraw/zinc/15/42/30/848154230.db2.gz MAHFHDMBQOGGSF-AWEZNQCLSA-N 2 2 297.443 0.776 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC000717317098 848227343 /nfs/dbraw/zinc/22/73/43/848227343.db2.gz LJDPVLBDTLSYMY-ZWNOBZJWSA-N 2 2 274.311 0.510 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001274053749 848329669 /nfs/dbraw/zinc/32/96/69/848329669.db2.gz VKFHKEGRADGEOM-UKRRQHHQSA-N 2 2 292.383 0.188 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001274053749 848329675 /nfs/dbraw/zinc/32/96/75/848329675.db2.gz VKFHKEGRADGEOM-UKRRQHHQSA-N 2 2 292.383 0.188 20 0 CCADLP COCC[NH2+][C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001274299537 848444074 /nfs/dbraw/zinc/44/40/74/848444074.db2.gz SXHYCWGGPAPZJN-KGLIPLIRSA-N 2 2 294.399 0.746 20 0 CCADLP Cc1nnc(C[NH2+]C/C=C/CNC(=O)CC[NH+](C)C)s1 ZINC001274330955 848452168 /nfs/dbraw/zinc/45/21/68/848452168.db2.gz IIHOFSNTCVTSRQ-SNAWJCMRSA-N 2 2 297.428 0.560 20 0 CCADLP COCCC[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001274937469 848597002 /nfs/dbraw/zinc/59/70/02/848597002.db2.gz UWXJBJJTMIHAHR-MRXNPFEDSA-N 2 2 297.443 0.899 20 0 CCADLP COCCC[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001274937469 848596990 /nfs/dbraw/zinc/59/69/90/848596990.db2.gz UWXJBJJTMIHAHR-MRXNPFEDSA-N 2 2 297.443 0.899 20 0 CCADLP COCCC[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001274937469 848596998 /nfs/dbraw/zinc/59/69/98/848596998.db2.gz UWXJBJJTMIHAHR-MRXNPFEDSA-N 2 2 297.443 0.899 20 0 CCADLP COCCC[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001274937469 848597008 /nfs/dbraw/zinc/59/70/08/848597008.db2.gz UWXJBJJTMIHAHR-MRXNPFEDSA-N 2 2 297.443 0.899 20 0 CCADLP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)[N@@H+]2CC1CC1 ZINC001275137732 848648247 /nfs/dbraw/zinc/64/82/47/848648247.db2.gz CICZNFYKXZJMPS-OKILXGFUSA-N 2 2 253.390 0.343 20 0 CCADLP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)[N@H+]2CC1CC1 ZINC001275137732 848648249 /nfs/dbraw/zinc/64/82/49/848648249.db2.gz CICZNFYKXZJMPS-OKILXGFUSA-N 2 2 253.390 0.343 20 0 CCADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]CC1CC1 ZINC001275581109 848768716 /nfs/dbraw/zinc/76/87/16/848768716.db2.gz YCJFCUFIXZBTNU-WDEREUQCSA-N 2 2 250.346 0.776 20 0 CCADLP C[C@H]1C[C@H]1C[N@@H+]1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001276034179 848899610 /nfs/dbraw/zinc/89/96/10/848899610.db2.gz XWIDYGQXSQXGQK-VGWMRTNUSA-N 2 2 290.411 0.924 20 0 CCADLP C[C@H]1C[C@H]1C[N@H+]1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001276034179 848899612 /nfs/dbraw/zinc/89/96/12/848899612.db2.gz XWIDYGQXSQXGQK-VGWMRTNUSA-N 2 2 290.411 0.924 20 0 CCADLP C[C@H](O)C[NH2+]CCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001276042136 848907598 /nfs/dbraw/zinc/90/75/98/848907598.db2.gz VTXCRTWTWQCYGI-NSHDSACASA-N 2 2 268.361 0.161 20 0 CCADLP C[C@H](O)C[NH2+]CCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001276042136 848907604 /nfs/dbraw/zinc/90/76/04/848907604.db2.gz VTXCRTWTWQCYGI-NSHDSACASA-N 2 2 268.361 0.161 20 0 CCADLP CO[C@@H]1CC[C@H](C)[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000687190042 849095518 /nfs/dbraw/zinc/09/55/18/849095518.db2.gz DWGAXNVYUJGVDD-IACUBPJLSA-N 2 2 256.390 0.941 20 0 CCADLP CO[C@@H]1CC[C@H](C)[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000687190042 849095523 /nfs/dbraw/zinc/09/55/23/849095523.db2.gz DWGAXNVYUJGVDD-IACUBPJLSA-N 2 2 256.390 0.941 20 0 CCADLP CO[C@@H]1CC[C@H](C)[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000687190042 849095527 /nfs/dbraw/zinc/09/55/27/849095527.db2.gz DWGAXNVYUJGVDD-IACUBPJLSA-N 2 2 256.390 0.941 20 0 CCADLP CO[C@@H]1CC[C@H](C)[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000687190042 849095531 /nfs/dbraw/zinc/09/55/31/849095531.db2.gz DWGAXNVYUJGVDD-IACUBPJLSA-N 2 2 256.390 0.941 20 0 CCADLP c1[nH+]c2n(c1CNC[C@H]1C[N@@H+]3CCC[C@H]3CO1)CCC2 ZINC000719179443 849297947 /nfs/dbraw/zinc/29/79/47/849297947.db2.gz FWJZEKKHAZBCKE-JSGCOSHPSA-N 2 2 276.384 0.782 20 0 CCADLP c1[nH+]c2n(c1CNC[C@H]1C[N@H+]3CCC[C@H]3CO1)CCC2 ZINC000719179443 849297951 /nfs/dbraw/zinc/29/79/51/849297951.db2.gz FWJZEKKHAZBCKE-JSGCOSHPSA-N 2 2 276.384 0.782 20 0 CCADLP C[NH+](C)CCN1CC2(C1)CCC[N@H+](Cc1ncccn1)C2 ZINC001276335544 849425002 /nfs/dbraw/zinc/42/50/02/849425002.db2.gz VJKDJVRGUZSOAJ-UHFFFAOYSA-N 2 2 289.427 0.936 20 0 CCADLP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1ncccn1)C2 ZINC001276335544 849425005 /nfs/dbraw/zinc/42/50/05/849425005.db2.gz VJKDJVRGUZSOAJ-UHFFFAOYSA-N 2 2 289.427 0.936 20 0 CCADLP Cc1cnc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)cn1 ZINC001276354472 849444118 /nfs/dbraw/zinc/44/41/18/849444118.db2.gz VXAAGYRLJRGIOR-IYBDPMFKSA-N 2 2 289.427 0.995 20 0 CCADLP Cc1cnc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)cn1 ZINC001276354472 849444121 /nfs/dbraw/zinc/44/41/21/849444121.db2.gz VXAAGYRLJRGIOR-IYBDPMFKSA-N 2 2 289.427 0.995 20 0 CCADLP COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001114899358 849601769 /nfs/dbraw/zinc/60/17/69/849601769.db2.gz QSCSTHBDAWGAIL-CXTNEJHOSA-N 2 2 292.383 0.527 20 0 CCADLP COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001114899358 849601773 /nfs/dbraw/zinc/60/17/73/849601773.db2.gz QSCSTHBDAWGAIL-CXTNEJHOSA-N 2 2 292.383 0.527 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@]2(CC[N@@H+](CCCO)C2)C1 ZINC001041758559 850497227 /nfs/dbraw/zinc/49/72/27/850497227.db2.gz LQDPYAKOUMCYQI-HNNXBMFYSA-N 2 2 292.383 0.259 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@]2(CC[N@H+](CCCO)C2)C1 ZINC001041758559 850497237 /nfs/dbraw/zinc/49/72/37/850497237.db2.gz LQDPYAKOUMCYQI-HNNXBMFYSA-N 2 2 292.383 0.259 20 0 CCADLP COC[C@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042537887 850685858 /nfs/dbraw/zinc/68/58/58/850685858.db2.gz BPYUQOHJQRNLEM-WCQYABFASA-N 2 2 269.389 0.258 20 0 CCADLP COC[C@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001042537887 850685861 /nfs/dbraw/zinc/68/58/61/850685861.db2.gz BPYUQOHJQRNLEM-WCQYABFASA-N 2 2 269.389 0.258 20 0 CCADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+](CCCO)C1 ZINC001044006216 850983988 /nfs/dbraw/zinc/98/39/88/850983988.db2.gz MYOWQXQPNLQBRO-OAHLLOKOSA-N 2 2 297.443 0.774 20 0 CCADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+](CCCO)C1 ZINC001044006216 850983986 /nfs/dbraw/zinc/98/39/86/850983986.db2.gz MYOWQXQPNLQBRO-OAHLLOKOSA-N 2 2 297.443 0.774 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)N(C)C1C[NH+](CCCO)C1 ZINC001044194939 851039567 /nfs/dbraw/zinc/03/95/67/851039567.db2.gz NSGYSBNRFCQKOA-UHFFFAOYSA-N 2 2 292.383 0.286 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)C2C[NH+](C(C)C)C2)C1 ZINC001044321590 851078685 /nfs/dbraw/zinc/07/86/85/851078685.db2.gz ZXYAYOQUZMOMQK-ZDUSSCGKSA-N 2 2 269.389 0.258 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N(C)C2C[NH+](C(C)C)C2)C1 ZINC001044321590 851078693 /nfs/dbraw/zinc/07/86/93/851078693.db2.gz ZXYAYOQUZMOMQK-ZDUSSCGKSA-N 2 2 269.389 0.258 20 0 CCADLP CN(C(=O)Cn1cc[nH+]c1)C1C[NH+](C[C@@H]2CCOC2)C1 ZINC001044367959 851085867 /nfs/dbraw/zinc/08/58/67/851085867.db2.gz GQPIUAJSVVHOTO-LBPRGKRZSA-N 2 2 278.356 0.062 20 0 CCADLP CC(C)[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001045275988 851230068 /nfs/dbraw/zinc/23/00/68/851230068.db2.gz LCCXXOVOBWBDEP-LBPRGKRZSA-N 2 2 264.373 0.952 20 0 CCADLP CC(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001047544565 851810661 /nfs/dbraw/zinc/81/06/61/851810661.db2.gz DRFVKRHMVXTMTA-KBPBESRZSA-N 2 2 294.399 0.502 20 0 CCADLP CC(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001047544565 851810665 /nfs/dbraw/zinc/81/06/65/851810665.db2.gz DRFVKRHMVXTMTA-KBPBESRZSA-N 2 2 294.399 0.502 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001048336471 851940058 /nfs/dbraw/zinc/94/00/58/851940058.db2.gz YJPOLVBMVJAMBG-CHWSQXEVSA-N 2 2 264.373 0.977 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1)[C@@H]1CCC[NH2+]1 ZINC000902499269 851961659 /nfs/dbraw/zinc/96/16/59/851961659.db2.gz IVNHTAFIJBPMLT-UTUOFQBUSA-N 2 2 277.372 0.491 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO ZINC001096434961 852090867 /nfs/dbraw/zinc/09/08/67/852090867.db2.gz QEWNJNWDBSOJJE-XBFCOCLRSA-N 2 2 292.383 0.365 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO ZINC001096434961 852090878 /nfs/dbraw/zinc/09/08/78/852090878.db2.gz QEWNJNWDBSOJJE-XBFCOCLRSA-N 2 2 292.383 0.365 20 0 CCADLP CO[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001096655105 852420810 /nfs/dbraw/zinc/42/08/10/852420810.db2.gz KOFKVTMUUXNTLO-MQYQWHSLSA-N 2 2 292.383 0.640 20 0 CCADLP CO[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001096655105 852420816 /nfs/dbraw/zinc/42/08/16/852420816.db2.gz KOFKVTMUUXNTLO-MQYQWHSLSA-N 2 2 292.383 0.640 20 0 CCADLP Cc1nc(N[C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)cc[nH+]1 ZINC001097250583 852519893 /nfs/dbraw/zinc/51/98/93/852519893.db2.gz OKSSNPAHZDOKIT-TXEJJXNPSA-N 2 2 277.372 0.796 20 0 CCADLP Cc1nc(N[C@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C)cc[nH+]1 ZINC001097729315 852592731 /nfs/dbraw/zinc/59/27/31/852592731.db2.gz IKZKZOAOBBELGI-ZYHUDNBSSA-N 2 2 277.372 0.796 20 0 CCADLP Cc1nc(N[C@H](C)CNC(=O)[C@H]2CCC[N@H+]2C)cc[nH+]1 ZINC001097729315 852592736 /nfs/dbraw/zinc/59/27/36/852592736.db2.gz IKZKZOAOBBELGI-ZYHUDNBSSA-N 2 2 277.372 0.796 20 0 CCADLP CC[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001052869280 852664704 /nfs/dbraw/zinc/66/47/04/852664704.db2.gz CLMJGAYBRVGBFQ-GFCCVEGCSA-N 2 2 264.373 0.953 20 0 CCADLP CC[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001052869280 852664708 /nfs/dbraw/zinc/66/47/08/852664708.db2.gz CLMJGAYBRVGBFQ-GFCCVEGCSA-N 2 2 264.373 0.953 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1COC2(C[NH+](CCCF)C2)C1 ZINC001053758264 852808984 /nfs/dbraw/zinc/80/89/84/852808984.db2.gz OKFVLJSOSVYHDR-QWHCGFSZSA-N 2 2 299.390 0.400 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1COC2(C[NH+](CCCF)C2)C1 ZINC001053758264 852808988 /nfs/dbraw/zinc/80/89/88/852808988.db2.gz OKFVLJSOSVYHDR-QWHCGFSZSA-N 2 2 299.390 0.400 20 0 CCADLP CC(C)[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)CO2 ZINC001053846399 852832725 /nfs/dbraw/zinc/83/27/25/852832725.db2.gz DLTJFTSNDCHDRE-UONOGXRCSA-N 2 2 295.427 0.839 20 0 CCADLP CC(C)[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)CO2 ZINC001053846399 852832732 /nfs/dbraw/zinc/83/27/32/852832732.db2.gz DLTJFTSNDCHDRE-UONOGXRCSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1[NH2+]CCO ZINC001054899012 853033526 /nfs/dbraw/zinc/03/35/26/853033526.db2.gz VKOXIGLRUDOMCO-NEPJUHHUSA-N 2 2 288.351 0.377 20 0 CCADLP C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]CCF ZINC001054951428 853042773 /nfs/dbraw/zinc/04/27/73/853042773.db2.gz NFUGKYIOQKFGJJ-NWDGAFQWSA-N 2 2 268.336 0.679 20 0 CCADLP CC[NH2+]C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)CCO1 ZINC001051732264 853635877 /nfs/dbraw/zinc/63/58/77/853635877.db2.gz PMIDKIGEGPGOJE-LBPRGKRZSA-N 2 2 280.372 0.190 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCO[C@@H](C[NH2+]CC2CCC2)C1 ZINC001051883932 853653682 /nfs/dbraw/zinc/65/36/82/853653682.db2.gz CSEYKZUHSAKRHN-ZDUSSCGKSA-N 2 2 292.383 0.569 20 0 CCADLP CC[NH+]1CCN([C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001052123445 853685745 /nfs/dbraw/zinc/68/57/45/853685745.db2.gz IRKDJCJDANOCDV-AWEZNQCLSA-N 2 2 291.399 0.122 20 0 CCADLP C(CN1CCSCC1)[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000385569697 853895612 /nfs/dbraw/zinc/89/56/12/853895612.db2.gz CTZMAICLJFEANG-QSLWVIQJSA-N 2 2 267.442 0.621 20 0 CCADLP COCC[N@@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C ZINC001072029243 854338505 /nfs/dbraw/zinc/33/85/05/854338505.db2.gz GMZMPPWPTPXXID-AAEUAGOBSA-N 2 2 294.399 0.876 20 0 CCADLP COCC[N@H+]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C ZINC001072029243 854338513 /nfs/dbraw/zinc/33/85/13/854338513.db2.gz GMZMPPWPTPXXID-AAEUAGOBSA-N 2 2 294.399 0.876 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001072803911 854466236 /nfs/dbraw/zinc/46/62/36/854466236.db2.gz QRNXVBVDWHWFPX-GFCCVEGCSA-N 2 2 292.383 0.257 20 0 CCADLP C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001072803911 854466238 /nfs/dbraw/zinc/46/62/38/854466238.db2.gz QRNXVBVDWHWFPX-GFCCVEGCSA-N 2 2 292.383 0.257 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001072803911 854466240 /nfs/dbraw/zinc/46/62/40/854466240.db2.gz QRNXVBVDWHWFPX-GFCCVEGCSA-N 2 2 292.383 0.257 20 0 CCADLP C[C@@H](O)C[N@H+]1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001072803911 854466243 /nfs/dbraw/zinc/46/62/43/854466243.db2.gz QRNXVBVDWHWFPX-GFCCVEGCSA-N 2 2 292.383 0.257 20 0 CCADLP CC(C)[N@@H+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001073016185 854515589 /nfs/dbraw/zinc/51/55/89/854515589.db2.gz MNYXFSPDDBCLMH-UHFFFAOYSA-N 2 2 262.357 0.895 20 0 CCADLP CC(C)[N@H+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001073016185 854515598 /nfs/dbraw/zinc/51/55/98/854515598.db2.gz MNYXFSPDDBCLMH-UHFFFAOYSA-N 2 2 262.357 0.895 20 0 CCADLP CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001074407690 854726627 /nfs/dbraw/zinc/72/66/27/854726627.db2.gz JEJCFFNKTOAUOV-HUUCEWRRSA-N 2 2 295.427 0.794 20 0 CCADLP CCC[N@H+]1CCO[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001074407690 854726629 /nfs/dbraw/zinc/72/66/29/854726629.db2.gz JEJCFFNKTOAUOV-HUUCEWRRSA-N 2 2 295.427 0.794 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO ZINC001098285844 854854492 /nfs/dbraw/zinc/85/44/92/854854492.db2.gz QEWNJNWDBSOJJE-BNOWGMLFSA-N 2 2 292.383 0.365 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO ZINC001098285844 854854495 /nfs/dbraw/zinc/85/44/95/854854495.db2.gz QEWNJNWDBSOJJE-BNOWGMLFSA-N 2 2 292.383 0.365 20 0 CCADLP CCCCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001100048489 855085145 /nfs/dbraw/zinc/08/51/45/855085145.db2.gz MPPPDZHGNCJBJU-OLZOCXBDSA-N 2 2 294.399 0.694 20 0 CCADLP CCCCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001100048489 855085155 /nfs/dbraw/zinc/08/51/55/855085155.db2.gz MPPPDZHGNCJBJU-OLZOCXBDSA-N 2 2 294.399 0.694 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NCC1CC([NH2+]CCO)C1 ZINC001100440181 855168434 /nfs/dbraw/zinc/16/84/34/855168434.db2.gz MLGSKEIAUIISTH-UHFFFAOYSA-N 2 2 293.367 0.109 20 0 CCADLP COCC[NH2+]C1CC(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001100744125 855217410 /nfs/dbraw/zinc/21/74/10/855217410.db2.gz JZTDIAGQSUNKDU-PNESKVBLSA-N 2 2 294.399 0.719 20 0 CCADLP COCC[NH2+]C1CC(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001100744125 855217419 /nfs/dbraw/zinc/21/74/19/855217419.db2.gz JZTDIAGQSUNKDU-PNESKVBLSA-N 2 2 294.399 0.719 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001256320721 855241950 /nfs/dbraw/zinc/24/19/50/855241950.db2.gz VWXWGXIARPWBQX-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC001256320721 855241954 /nfs/dbraw/zinc/24/19/54/855241954.db2.gz VWXWGXIARPWBQX-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP CCC[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001101069600 855259580 /nfs/dbraw/zinc/25/95/80/855259580.db2.gz RFQWTFHBBKPNKV-UHFFFAOYSA-N 2 2 250.346 0.778 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1CC([NH2+]CCF)C1 ZINC001101071575 855259933 /nfs/dbraw/zinc/25/99/33/855259933.db2.gz OFHBDNQNKXCHQV-UHFFFAOYSA-N 2 2 254.309 0.337 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1CC([NH2+]Cc2ccccn2)C1 ZINC001101069988 855259897 /nfs/dbraw/zinc/25/98/97/855259897.db2.gz BHNVNMNGXUPGJY-UHFFFAOYSA-N 2 2 299.378 0.963 20 0 CCADLP COCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001103574184 855524176 /nfs/dbraw/zinc/52/41/76/855524176.db2.gz CXOJCZYREHIUQA-CHWSQXEVSA-N 2 2 294.399 0.673 20 0 CCADLP COCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001103574184 855524178 /nfs/dbraw/zinc/52/41/78/855524178.db2.gz CXOJCZYREHIUQA-CHWSQXEVSA-N 2 2 294.399 0.673 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@]12CCC[C@H]1C[N@@H+](CCO)C2 ZINC001111731556 855590009 /nfs/dbraw/zinc/59/00/09/855590009.db2.gz CHBAIFWYIKUHPL-WFASDCNBSA-N 2 2 292.383 0.305 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@]12CCC[C@H]1C[N@H+](CCO)C2 ZINC001111731556 855590017 /nfs/dbraw/zinc/59/00/17/855590017.db2.gz CHBAIFWYIKUHPL-WFASDCNBSA-N 2 2 292.383 0.305 20 0 CCADLP C[N@@H+](CC(=O)N1CCCC1)C[C@H]1CCCC[NH2+]C1 ZINC000696987786 855615080 /nfs/dbraw/zinc/61/50/80/855615080.db2.gz CMGSJYQGSKALAC-ZDUSSCGKSA-N 2 2 253.390 0.930 20 0 CCADLP C[N@H+](CC(=O)N1CCCC1)C[C@H]1CCCC[NH2+]C1 ZINC000696987786 855615085 /nfs/dbraw/zinc/61/50/85/855615085.db2.gz CMGSJYQGSKALAC-ZDUSSCGKSA-N 2 2 253.390 0.930 20 0 CCADLP O=S1(=O)CC[C@H](C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC001118198625 856198008 /nfs/dbraw/zinc/19/80/08/856198008.db2.gz QOROFJQPFSHBJB-NEPJUHHUSA-N 2 2 258.387 0.107 20 0 CCADLP O=S1(=O)CC[C@H](C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC001118198625 856197998 /nfs/dbraw/zinc/19/79/98/856197998.db2.gz QOROFJQPFSHBJB-NEPJUHHUSA-N 2 2 258.387 0.107 20 0 CCADLP C[C@H](C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)n1cc[nH+]c1 ZINC001118218540 856209541 /nfs/dbraw/zinc/20/95/41/856209541.db2.gz LETOUFHMICBLHY-QJPTWQEYSA-N 2 2 250.346 0.948 20 0 CCADLP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001118596439 856360791 /nfs/dbraw/zinc/36/07/91/856360791.db2.gz INHPKPUAHFNUED-WDEREUQCSA-N 2 2 250.346 0.941 20 0 CCADLP OC1CC[NH+](Cc2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC001120000375 856956955 /nfs/dbraw/zinc/95/69/55/856956955.db2.gz RXQFDFNGTUDYSY-UHFFFAOYSA-N 2 2 265.361 0.159 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1([NH2+]CCO)CCCCC1 ZINC001120248850 857017058 /nfs/dbraw/zinc/01/70/58/857017058.db2.gz ZFYCQYGAKBEPMQ-UHFFFAOYSA-N 2 2 280.372 0.284 20 0 CCADLP CC[C@H](C[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CC1)OC ZINC001392935930 912277914 /nfs/dbraw/zinc/27/79/14/912277914.db2.gz DRJZTFNAHWBTJT-GFCCVEGCSA-N 2 2 280.372 0.616 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001393046436 912351940 /nfs/dbraw/zinc/35/19/40/912351940.db2.gz JOTRJWZDKVQUMG-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H]2C[NH2+]CCO)c[nH+]1 ZINC001324180479 912706271 /nfs/dbraw/zinc/70/62/71/912706271.db2.gz IYDUWLZVGMHEJH-CYBMUJFWSA-N 2 2 294.399 0.500 20 0 CCADLP CC(C)[NH2+][C@@H](CO)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001394591509 913299805 /nfs/dbraw/zinc/29/98/05/913299805.db2.gz PGFFDTACXIHESV-CYBMUJFWSA-N 2 2 294.399 0.237 20 0 CCADLP CC[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001394738752 913398516 /nfs/dbraw/zinc/39/85/16/913398516.db2.gz CIYZQIRKDGTVRJ-GFCCVEGCSA-N 2 2 282.388 0.355 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC001346058182 891465725 /nfs/dbraw/zinc/46/57/25/891465725.db2.gz WAMFRLMRZKRMDP-WDEREUQCSA-N 2 2 250.346 0.786 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC001346058182 891465732 /nfs/dbraw/zinc/46/57/32/891465732.db2.gz WAMFRLMRZKRMDP-WDEREUQCSA-N 2 2 250.346 0.786 20 0 CCADLP Cc1ncc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)C2)cn1 ZINC001548559594 891488446 /nfs/dbraw/zinc/48/84/46/891488446.db2.gz USCLRJQFEOIMMU-HNNXBMFYSA-N 2 2 275.400 0.607 20 0 CCADLP Cc1ncc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)C2)cn1 ZINC001548559594 891488452 /nfs/dbraw/zinc/48/84/52/891488452.db2.gz USCLRJQFEOIMMU-HNNXBMFYSA-N 2 2 275.400 0.607 20 0 CCADLP Cc1noc([C@@H](C)[NH2+][C@@H](C)CNC(=O)CCC[NH+](C)C)n1 ZINC001418265790 891781246 /nfs/dbraw/zinc/78/12/46/891781246.db2.gz MXLBCLVKZHKVJK-WDEREUQCSA-N 2 2 297.403 0.875 20 0 CCADLP COCCC[N@@H+]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001481116715 892187450 /nfs/dbraw/zinc/18/74/50/892187450.db2.gz LYZNSDKEBTVHFJ-GFCCVEGCSA-N 2 2 280.372 0.427 20 0 CCADLP COCCC[N@H+]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001481116715 892187462 /nfs/dbraw/zinc/18/74/62/892187462.db2.gz LYZNSDKEBTVHFJ-GFCCVEGCSA-N 2 2 280.372 0.427 20 0 CCADLP C[C@H](O)CCC[N@@H+]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001481116788 892188033 /nfs/dbraw/zinc/18/80/33/892188033.db2.gz NBRMTFFRHSDEMR-STQMWFEESA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](O)CCC[N@H+]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001481116788 892188041 /nfs/dbraw/zinc/18/80/41/892188041.db2.gz NBRMTFFRHSDEMR-STQMWFEESA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](O)CCC[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001481125786 892198090 /nfs/dbraw/zinc/19/80/90/892198090.db2.gz JELRLXZCYBUODD-KGLIPLIRSA-N 2 2 294.399 0.482 20 0 CCADLP C[C@@H](O)CCC[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001481125786 892198097 /nfs/dbraw/zinc/19/80/97/892198097.db2.gz JELRLXZCYBUODD-KGLIPLIRSA-N 2 2 294.399 0.482 20 0 CCADLP COCCC[NH+]1CC(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001481567500 892842368 /nfs/dbraw/zinc/84/23/68/892842368.db2.gz TWYFOMMGIFSFJQ-GJZGRUSLSA-N 2 2 295.427 0.840 20 0 CCADLP COCCC[NH+]1CC(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001481567500 892842383 /nfs/dbraw/zinc/84/23/83/892842383.db2.gz TWYFOMMGIFSFJQ-GJZGRUSLSA-N 2 2 295.427 0.840 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC1C[NH+](Cc2cccnc2)C1 ZINC001481658362 892973985 /nfs/dbraw/zinc/97/39/85/892973985.db2.gz JHZAIIMYKYGSII-UHFFFAOYSA-N 2 2 299.378 0.835 20 0 CCADLP CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001481826752 893191174 /nfs/dbraw/zinc/19/11/74/893191174.db2.gz UTYWSHVPUUYXLF-NEPJUHHUSA-N 2 2 264.373 0.950 20 0 CCADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1C)[NH2+]Cc1cnon1 ZINC001481879310 893243697 /nfs/dbraw/zinc/24/36/97/893243697.db2.gz PSJKVCQEHVOBMV-NSHDSACASA-N 2 2 292.343 0.259 20 0 CCADLP COCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001482497083 894159098 /nfs/dbraw/zinc/15/90/98/894159098.db2.gz BJCUGHPMJOADDV-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP CC(C)[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1C ZINC000987270195 894356787 /nfs/dbraw/zinc/35/67/87/894356787.db2.gz VBWNTVFCFUYVLF-MNOVXSKESA-N 2 2 250.346 0.940 20 0 CCADLP C[C@H](CC(=O)NC[C@@H](O)C[NH2+]CC1CC1)n1cc[nH+]c1 ZINC001482772642 894589195 /nfs/dbraw/zinc/58/91/95/894589195.db2.gz HYDHMJLDGFSPJK-YPMHNXCESA-N 2 2 280.372 0.311 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CC[NH2+]C[C@@H](C)O ZINC001482888924 894671374 /nfs/dbraw/zinc/67/13/74/894671374.db2.gz FSZSAEDDWJAFFI-VHSXEESVSA-N 2 2 268.361 0.126 20 0 CCADLP CCC[NH2+]CC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001482891523 894673607 /nfs/dbraw/zinc/67/36/07/894673607.db2.gz UDAMWISDAUHVNT-NSHDSACASA-N 2 2 252.362 0.857 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](C)[N@H+](C)CCCO ZINC001409652095 895311915 /nfs/dbraw/zinc/31/19/15/895311915.db2.gz KYDYJGYSOJXYSJ-NEPJUHHUSA-N 2 2 282.388 0.407 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](C)[N@@H+](C)CCCO ZINC001409652095 895311930 /nfs/dbraw/zinc/31/19/30/895311930.db2.gz KYDYJGYSOJXYSJ-NEPJUHHUSA-N 2 2 282.388 0.407 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](C)[N@H+](C)CCCO ZINC001409652095 895311947 /nfs/dbraw/zinc/31/19/47/895311947.db2.gz KYDYJGYSOJXYSJ-NEPJUHHUSA-N 2 2 282.388 0.407 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](C)[N@@H+](C)CCCO ZINC001409652095 895311960 /nfs/dbraw/zinc/31/19/60/895311960.db2.gz KYDYJGYSOJXYSJ-NEPJUHHUSA-N 2 2 282.388 0.407 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)CC[C@H]1CCOC1 ZINC001409661709 895318726 /nfs/dbraw/zinc/31/87/26/895318726.db2.gz RRKMQAJMCKPTKR-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)CC[C@H]1CCOC1 ZINC001409661709 895318739 /nfs/dbraw/zinc/31/87/39/895318739.db2.gz RRKMQAJMCKPTKR-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP Cc1ncccc1C[NH2+]C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001483270123 895400685 /nfs/dbraw/zinc/40/06/85/895400685.db2.gz KQEKMJLXBLGRLW-NSHDSACASA-N 2 2 287.367 0.950 20 0 CCADLP CC(C)[C@@H](C(=O)N[C@H](C)C[N@H+](C)CC(N)=O)[NH+]1CCCC1 ZINC001483421306 895552917 /nfs/dbraw/zinc/55/29/17/895552917.db2.gz PQIPTIXIHINEER-OCCSQVGLSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CC(N)=O)[NH+]1CCCC1 ZINC001483421306 895552928 /nfs/dbraw/zinc/55/29/28/895552928.db2.gz PQIPTIXIHINEER-OCCSQVGLSA-N 2 2 298.431 0.029 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCOCC1CC1 ZINC001483671581 895827736 /nfs/dbraw/zinc/82/77/36/895827736.db2.gz XUOQWNOQPATMLL-LSDHHAIUSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCOCC1CC1 ZINC001483671581 895827747 /nfs/dbraw/zinc/82/77/47/895827747.db2.gz XUOQWNOQPATMLL-LSDHHAIUSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCOCC1CC1 ZINC001483671581 895827754 /nfs/dbraw/zinc/82/77/54/895827754.db2.gz XUOQWNOQPATMLL-LSDHHAIUSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCOCC1CC1 ZINC001483671581 895827767 /nfs/dbraw/zinc/82/77/67/895827767.db2.gz XUOQWNOQPATMLL-LSDHHAIUSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H](CC(=O)NC[C@H]1CC[N@@H+]1CCO)n1cc[nH+]c1 ZINC001483683733 895848310 /nfs/dbraw/zinc/84/83/10/895848310.db2.gz ODJIZTJHMKULFJ-NWDGAFQWSA-N 2 2 266.345 0.017 20 0 CCADLP C[C@@H](CC(=O)NC[C@H]1CC[N@H+]1CCO)n1cc[nH+]c1 ZINC001483683733 895848325 /nfs/dbraw/zinc/84/83/25/895848325.db2.gz ODJIZTJHMKULFJ-NWDGAFQWSA-N 2 2 266.345 0.017 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@H]1CCN1Cc1c[nH+]cn1C ZINC001483694905 895871653 /nfs/dbraw/zinc/87/16/53/895871653.db2.gz FELXHXWUPDCJII-CYBMUJFWSA-N 2 2 293.415 0.452 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@H]1CCN1Cc1c[nH+]cn1C ZINC001483694905 895871661 /nfs/dbraw/zinc/87/16/61/895871661.db2.gz FELXHXWUPDCJII-CYBMUJFWSA-N 2 2 293.415 0.452 20 0 CCADLP C[NH+](C)CCC(=O)NCC1([NH2+]Cc2ncccn2)CC1 ZINC001483763660 896027809 /nfs/dbraw/zinc/02/78/09/896027809.db2.gz NYYBEZLJYHXPPE-UHFFFAOYSA-N 2 2 277.372 0.167 20 0 CCADLP CCCC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001484696335 896552015 /nfs/dbraw/zinc/55/20/15/896552015.db2.gz QIALFFDBDILSFM-LBPRGKRZSA-N 2 2 280.372 0.569 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC001522775005 896690530 /nfs/dbraw/zinc/69/05/30/896690530.db2.gz XRTOHBVKLBSOBH-XQQFMLRXSA-N 2 2 269.389 0.341 20 0 CCADLP CO[C@H](C)C[N@H+](C)C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001485072823 896757850 /nfs/dbraw/zinc/75/78/50/896757850.db2.gz IXPBULDUHXZHOF-CHWSQXEVSA-N 2 2 294.399 0.910 20 0 CCADLP CO[C@H](C)C[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001485072823 896757856 /nfs/dbraw/zinc/75/78/56/896757856.db2.gz IXPBULDUHXZHOF-CHWSQXEVSA-N 2 2 294.399 0.910 20 0 CCADLP CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001485323406 896961028 /nfs/dbraw/zinc/96/10/28/896961028.db2.gz SRERCLOPKSQWGE-VXGBXAGGSA-N 2 2 264.373 0.902 20 0 CCADLP CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001485323406 896961037 /nfs/dbraw/zinc/96/10/37/896961037.db2.gz SRERCLOPKSQWGE-VXGBXAGGSA-N 2 2 264.373 0.902 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C1C[NH+](CCCO)C1 ZINC001485533678 897113591 /nfs/dbraw/zinc/11/35/91/897113591.db2.gz SKGZDBMPVARNMM-JTQLQIEISA-N 2 2 280.372 0.080 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC[NH+](C)CC1 ZINC001326741085 914130187 /nfs/dbraw/zinc/13/01/87/914130187.db2.gz FPVJMOLCTRJILT-JTQLQIEISA-N 2 2 250.346 0.799 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC[NH+](C)CC1 ZINC001326741085 914130191 /nfs/dbraw/zinc/13/01/91/914130191.db2.gz FPVJMOLCTRJILT-JTQLQIEISA-N 2 2 250.346 0.799 20 0 CCADLP CC(C)[N@@H+]1CCO[C@](C)(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001107909713 897481203 /nfs/dbraw/zinc/48/12/03/897481203.db2.gz ZWRWVAXNJFCXEL-OAHLLOKOSA-N 2 2 294.399 0.958 20 0 CCADLP CC(C)[N@H+]1CCO[C@](C)(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001107909713 897481215 /nfs/dbraw/zinc/48/12/15/897481215.db2.gz ZWRWVAXNJFCXEL-OAHLLOKOSA-N 2 2 294.399 0.958 20 0 CCADLP COCC[NH2+]C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001203545484 897624006 /nfs/dbraw/zinc/62/40/06/897624006.db2.gz YRBYTURLEHZSDX-UHFFFAOYSA-N 2 2 294.399 0.580 20 0 CCADLP CC[N@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+]Cc1nnc(C)o1 ZINC001410479673 899436520 /nfs/dbraw/zinc/43/65/20/899436520.db2.gz OQDBRHSNTQOBOE-NSHDSACASA-N 2 2 297.403 0.656 20 0 CCADLP CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+]Cc1nnc(C)o1 ZINC001410479673 899436522 /nfs/dbraw/zinc/43/65/22/899436522.db2.gz OQDBRHSNTQOBOE-NSHDSACASA-N 2 2 297.403 0.656 20 0 CCADLP CC(C)(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000718693933 902242328 /nfs/dbraw/zinc/24/23/28/902242328.db2.gz VKZSYSNDJADNAV-NSHDSACASA-N 2 2 262.419 0.870 20 0 CCADLP CC(C)(C)S(=O)(=O)CCC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000718693933 902242343 /nfs/dbraw/zinc/24/23/43/902242343.db2.gz VKZSYSNDJADNAV-NSHDSACASA-N 2 2 262.419 0.870 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H](CO)C[NH+]1CCCCC1 ZINC001412929513 902367807 /nfs/dbraw/zinc/36/78/07/902367807.db2.gz DXVBANRJLHRJMD-ZDUSSCGKSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H](CO)C[NH+]1CCCCC1 ZINC001412929513 902367815 /nfs/dbraw/zinc/36/78/15/902367815.db2.gz DXVBANRJLHRJMD-ZDUSSCGKSA-N 2 2 280.372 0.305 20 0 CCADLP COC1(CO)CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC001327589374 914640248 /nfs/dbraw/zinc/64/02/48/914640248.db2.gz MAVMSBIYHHZYTK-UHFFFAOYSA-N 2 2 253.346 0.436 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC001413100396 902707953 /nfs/dbraw/zinc/70/79/53/902707953.db2.gz IEJSUZSLSZPPNU-CYBMUJFWSA-N 2 2 294.399 0.497 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC001413100396 902707963 /nfs/dbraw/zinc/70/79/63/902707963.db2.gz IEJSUZSLSZPPNU-CYBMUJFWSA-N 2 2 294.399 0.497 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]([NH2+]Cc1cccnc1)C1CC1 ZINC001398453837 914658014 /nfs/dbraw/zinc/65/80/14/914658014.db2.gz QWEQFPXCDUIDPC-HNNXBMFYSA-N 2 2 299.378 0.963 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(CO)COC[C@@H]3CCCN32)CC[N@@H+]1C ZINC001413276667 902840335 /nfs/dbraw/zinc/84/03/35/902840335.db2.gz MNFCNMAEWZIGFC-FXUDXRNXSA-N 2 2 297.443 0.284 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(CO)COC[C@@H]3CCCN32)CC[N@H+]1C ZINC001413276667 902840349 /nfs/dbraw/zinc/84/03/49/902840349.db2.gz MNFCNMAEWZIGFC-FXUDXRNXSA-N 2 2 297.443 0.284 20 0 CCADLP C[C@@H]1C[C@@H](NC[C@@]2(CO)COC[C@@H]3CCC[NH+]32)CC[N@@H+]1C ZINC001413276667 902840361 /nfs/dbraw/zinc/84/03/61/902840361.db2.gz MNFCNMAEWZIGFC-FXUDXRNXSA-N 2 2 297.443 0.284 20 0 CCADLP C[C@@H]1C[C@@H](NC[C@@]2(CO)COC[C@@H]3CCC[NH+]32)CC[N@H+]1C ZINC001413276667 902840373 /nfs/dbraw/zinc/84/03/73/902840373.db2.gz MNFCNMAEWZIGFC-FXUDXRNXSA-N 2 2 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CCADLP CC[N@@H+]1CCOC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001380835174 906953707 /nfs/dbraw/zinc/95/37/07/906953707.db2.gz WOLBXZJGUKOMOT-CQSZACIVSA-N 2 2 283.416 0.699 20 0 CCADLP CC[N@H+]1CCOC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001380835174 906953724 /nfs/dbraw/zinc/95/37/24/906953724.db2.gz WOLBXZJGUKOMOT-CQSZACIVSA-N 2 2 283.416 0.699 20 0 CCADLP C[C@@H](CC[NH+]1CCN(C)CC1)Nc1cc[nH+]c(N)n1 ZINC001337938455 921304228 /nfs/dbraw/zinc/30/42/28/921304228.db2.gz GKNHWHKININQBP-NSHDSACASA-N 2 2 264.377 0.497 20 0 CCADLP C[C@@H](CCN1CC[NH+](C)CC1)Nc1cc[nH+]c(N)n1 ZINC001337938455 921304231 /nfs/dbraw/zinc/30/42/31/921304231.db2.gz GKNHWHKININQBP-NSHDSACASA-N 2 2 264.377 0.497 20 0 CCADLP CCn1cc(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)nn1 ZINC001336053869 907292295 /nfs/dbraw/zinc/29/22/95/907292295.db2.gz ABXZEUNJWDGYLF-LBPRGKRZSA-N 2 2 266.393 0.024 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)CCOC1CCC1 ZINC001381637813 907349957 /nfs/dbraw/zinc/34/99/57/907349957.db2.gz LYNWZWSPYWXZFR-ZDUSSCGKSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)CCOC1CCC1 ZINC001381637813 907349974 /nfs/dbraw/zinc/34/99/74/907349974.db2.gz LYNWZWSPYWXZFR-ZDUSSCGKSA-N 2 2 294.399 0.889 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001381900950 907450567 /nfs/dbraw/zinc/45/05/67/907450567.db2.gz VNJMSEXFRKEBMY-ZSOGYDGISA-N 2 2 292.383 0.019 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001381900950 907450580 /nfs/dbraw/zinc/45/05/80/907450580.db2.gz VNJMSEXFRKEBMY-ZSOGYDGISA-N 2 2 292.383 0.019 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001381900950 907450596 /nfs/dbraw/zinc/45/05/96/907450596.db2.gz VNJMSEXFRKEBMY-ZSOGYDGISA-N 2 2 292.383 0.019 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001381900950 907450605 /nfs/dbraw/zinc/45/06/05/907450605.db2.gz VNJMSEXFRKEBMY-ZSOGYDGISA-N 2 2 292.383 0.019 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001491824565 907588275 /nfs/dbraw/zinc/58/82/75/907588275.db2.gz VHMYNHBGTPPDNP-KGLIPLIRSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@@H](Nc1cc(N)[nH+]cn1)[C@H]1C[N@H+](C)CCN1C ZINC001338083919 921364078 /nfs/dbraw/zinc/36/40/78/921364078.db2.gz LMGGRYVERHAGJT-NXEZZACHSA-N 2 2 250.350 0.105 20 0 CCADLP C[C@@H](Nc1cc(N)[nH+]cn1)[C@H]1C[N@@H+](C)CCN1C ZINC001338083919 921364088 /nfs/dbraw/zinc/36/40/88/921364088.db2.gz LMGGRYVERHAGJT-NXEZZACHSA-N 2 2 250.350 0.105 20 0 CCADLP C[C@H]1CC[N@H+](CC[NH2+]C[C@H](O)C2(O)CCCC2)C1 ZINC001336800287 907994950 /nfs/dbraw/zinc/99/49/50/907994950.db2.gz FBLPRWNNLUPNPT-STQMWFEESA-N 2 2 256.390 0.584 20 0 CCADLP C[C@H]1CC[N@@H+](CC[NH2+]C[C@H](O)C2(O)CCCC2)C1 ZINC001336800287 907994966 /nfs/dbraw/zinc/99/49/66/907994966.db2.gz FBLPRWNNLUPNPT-STQMWFEESA-N 2 2 256.390 0.584 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001302665448 908030686 /nfs/dbraw/zinc/03/06/86/908030686.db2.gz RSOBPHBIBCXKKD-JTQLQIEISA-N 2 2 254.309 0.470 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)CC[N@H+]1CC[C@H](F)C1 ZINC001302665448 908030702 /nfs/dbraw/zinc/03/07/02/908030702.db2.gz RSOBPHBIBCXKKD-JTQLQIEISA-N 2 2 254.309 0.470 20 0 CCADLP CS(=O)(=O)c1ccc(C[NH2+]CCn2cc[nH+]c2)o1 ZINC001308179183 908397580 /nfs/dbraw/zinc/39/75/80/908397580.db2.gz KQPUKSVUBYFLBJ-UHFFFAOYSA-N 2 2 269.326 0.669 20 0 CCADLP CC(C)[C@H](C(=O)NCCC[N@H+](C)Cc1cnon1)[NH+](C)C ZINC001316862825 908510872 /nfs/dbraw/zinc/51/08/72/908510872.db2.gz WZPWVLLOXUYIOA-CYBMUJFWSA-N 2 2 297.403 0.594 20 0 CCADLP CC(C)[C@H](C(=O)NCCC[N@@H+](C)Cc1cnon1)[NH+](C)C ZINC001316862825 908510879 /nfs/dbraw/zinc/51/08/79/908510879.db2.gz WZPWVLLOXUYIOA-CYBMUJFWSA-N 2 2 297.403 0.594 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)NCc1ccc[nH+]c1N ZINC001311559961 908558911 /nfs/dbraw/zinc/55/89/11/908558911.db2.gz ZNVRCLJEWVANJN-UHFFFAOYSA-N 2 2 295.387 0.431 20 0 CCADLP COCC[N@@H+](C)CCCNC(=O)NCc1ccc[nH+]c1N ZINC001311559961 908558920 /nfs/dbraw/zinc/55/89/20/908558920.db2.gz ZNVRCLJEWVANJN-UHFFFAOYSA-N 2 2 295.387 0.431 20 0 CCADLP C[NH2+][C@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001338374644 921449395 /nfs/dbraw/zinc/44/93/95/921449395.db2.gz QNUVFZZGXUKGRZ-GMTAPVOTSA-N 2 2 250.346 0.638 20 0 CCADLP C[NH2+]C[C@@H]1CCCCN1C(=O)NCCn1cc[nH+]c1 ZINC001338429796 921463796 /nfs/dbraw/zinc/46/37/96/921463796.db2.gz AHUWONXHFJTZTK-LBPRGKRZSA-N 2 2 265.361 0.667 20 0 CCADLP CCOCC[NH2+][C@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001317367043 909160072 /nfs/dbraw/zinc/16/00/72/909160072.db2.gz XBKSWYDUFYKSPJ-KBPBESRZSA-N 2 2 294.399 0.937 20 0 CCADLP CC(C)(O)C[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001338520057 921497749 /nfs/dbraw/zinc/49/77/49/921497749.db2.gz ISTALVZLBCWOSU-VXGBXAGGSA-N 2 2 258.406 0.971 20 0 CCADLP CC(C)(O)C[C@@H](O)C[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001338520057 921497752 /nfs/dbraw/zinc/49/77/52/921497752.db2.gz ISTALVZLBCWOSU-VXGBXAGGSA-N 2 2 258.406 0.971 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001388740349 909570596 /nfs/dbraw/zinc/57/05/96/909570596.db2.gz ZDBUYJSNJIAWJY-RNJOBUHISA-N 2 2 294.399 0.454 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001388740349 909570607 /nfs/dbraw/zinc/57/06/07/909570607.db2.gz ZDBUYJSNJIAWJY-RNJOBUHISA-N 2 2 294.399 0.454 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1CCOC ZINC001388771364 909578833 /nfs/dbraw/zinc/57/88/33/909578833.db2.gz JXJZICKSKOAXKC-UONOGXRCSA-N 2 2 294.399 0.958 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1CCOC ZINC001388771364 909578842 /nfs/dbraw/zinc/57/88/42/909578842.db2.gz JXJZICKSKOAXKC-UONOGXRCSA-N 2 2 294.399 0.958 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1CCOC ZINC001388771364 909578855 /nfs/dbraw/zinc/57/88/55/909578855.db2.gz JXJZICKSKOAXKC-UONOGXRCSA-N 2 2 294.399 0.958 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1CCOC ZINC001388771364 909578866 /nfs/dbraw/zinc/57/88/66/909578866.db2.gz JXJZICKSKOAXKC-UONOGXRCSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@H](C)C[NH2+][C@H](CNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001389677420 910027243 /nfs/dbraw/zinc/02/72/43/910027243.db2.gz RCUCBPAKMLRRHD-ZWNOBZJWSA-N 2 2 280.372 0.472 20 0 CCADLP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnsn2)C1)[NH+](C)C ZINC001389896042 910138639 /nfs/dbraw/zinc/13/86/39/910138639.db2.gz HZQAFBFESRHSJT-NHCYSSNCSA-N 2 2 297.428 0.615 20 0 CCADLP CC[NH2+][C@@H](C)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001390455922 910430884 /nfs/dbraw/zinc/43/08/84/910430884.db2.gz WFTWKZXLCOPGBI-GXTWGEPZSA-N 2 2 283.416 0.744 20 0 CCADLP CC[NH2+][C@@H](C)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001390455922 910430895 /nfs/dbraw/zinc/43/08/95/910430895.db2.gz WFTWKZXLCOPGBI-GXTWGEPZSA-N 2 2 283.416 0.744 20 0 CCADLP OCCCC[NH+]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001320067900 910449209 /nfs/dbraw/zinc/44/92/09/910449209.db2.gz QLPUNZLHIQNXOE-IYBDPMFKSA-N 2 2 297.443 0.240 20 0 CCADLP OCCCC[NH+]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001320067900 910449220 /nfs/dbraw/zinc/44/92/20/910449220.db2.gz QLPUNZLHIQNXOE-IYBDPMFKSA-N 2 2 297.443 0.240 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cnon1 ZINC001390546148 910507015 /nfs/dbraw/zinc/50/70/15/910507015.db2.gz ZMYTYHDLTHKZEH-DGCLKSJQSA-N 2 2 295.387 0.538 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cnon1 ZINC001390546148 910507029 /nfs/dbraw/zinc/50/70/29/910507029.db2.gz ZMYTYHDLTHKZEH-DGCLKSJQSA-N 2 2 295.387 0.538 20 0 CCADLP CC(C)=CC[NH2+]C[C@H](O)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001320301274 910591916 /nfs/dbraw/zinc/59/19/16/910591916.db2.gz VTSHCDUTKBJQBH-LBPRGKRZSA-N 2 2 280.372 0.294 20 0 CCADLP Cc1ncc(C[NH2+][C@@H](C)CCNC(=O)Cc2c[nH]c[nH+]2)o1 ZINC001390705379 910601629 /nfs/dbraw/zinc/60/16/29/910601629.db2.gz PKMGYRMZRIKXBD-JTQLQIEISA-N 2 2 291.355 0.933 20 0 CCADLP CCC[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C[C@@H]1CCOC1 ZINC001391132818 910903917 /nfs/dbraw/zinc/90/39/17/910903917.db2.gz CFNQOKJREQNYEG-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP CCC[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C[C@@H]1CCOC1 ZINC001391132818 910903938 /nfs/dbraw/zinc/90/39/38/910903938.db2.gz CFNQOKJREQNYEG-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP CC(C)[C@H](C(=O)NC1CN(Cc2c[nH+]cn2C)C1)[NH+](C)C ZINC001391443423 911133612 /nfs/dbraw/zinc/13/36/12/911133612.db2.gz AMORJBIBCOQFIF-CQSZACIVSA-N 2 2 293.415 0.307 20 0 CCADLP Cc1cnc(C[NH2+]C/C=C\CNC(=O)CC[NH+](C)C)o1 ZINC001321224745 911171650 /nfs/dbraw/zinc/17/16/50/911171650.db2.gz VCQVLUKYZINKKD-PLNGDYQASA-N 2 2 280.372 0.697 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001391568552 911227393 /nfs/dbraw/zinc/22/73/93/911227393.db2.gz VLRWBWDHEVXLHQ-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001391568552 911227408 /nfs/dbraw/zinc/22/74/08/911227408.db2.gz VLRWBWDHEVXLHQ-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP C[NH+](C)[C@H](C(=O)N[C@H]1CC[N@H+](CCO)C1)c1ccccc1 ZINC001391567939 911228245 /nfs/dbraw/zinc/22/82/45/911228245.db2.gz LSPJWGNJWXNPDY-GJZGRUSLSA-N 2 2 291.395 0.472 20 0 CCADLP C[NH+](C)[C@H](C(=O)N[C@H]1CC[N@@H+](CCO)C1)c1ccccc1 ZINC001391567939 911228260 /nfs/dbraw/zinc/22/82/60/911228260.db2.gz LSPJWGNJWXNPDY-GJZGRUSLSA-N 2 2 291.395 0.472 20 0 CCADLP C[NH+](C)[C@@H](C(=O)N[C@H]1CC[N@H+](CCO)C1)c1ccccc1 ZINC001391567945 911228632 /nfs/dbraw/zinc/22/86/32/911228632.db2.gz LSPJWGNJWXNPDY-LSDHHAIUSA-N 2 2 291.395 0.472 20 0 CCADLP C[NH+](C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CCO)C1)c1ccccc1 ZINC001391567945 911228646 /nfs/dbraw/zinc/22/86/46/911228646.db2.gz LSPJWGNJWXNPDY-LSDHHAIUSA-N 2 2 291.395 0.472 20 0 CCADLP CO[C@@H](C)C[NH2+]C/C=C/CNC(=O)Cc1c[nH+]cn1C ZINC001321336674 911240363 /nfs/dbraw/zinc/24/03/63/911240363.db2.gz LOGXODBVSRUISH-ITKZLYELSA-N 2 2 280.372 0.260 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H]1CC[N@H+](CCCO)C1 ZINC001391623688 911270914 /nfs/dbraw/zinc/27/09/14/911270914.db2.gz QUSYKUXSHLLYPY-GXTWGEPZSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001391623688 911270924 /nfs/dbraw/zinc/27/09/24/911270924.db2.gz QUSYKUXSHLLYPY-GXTWGEPZSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H]1CC[N@H+](CCCO)C1 ZINC001391623688 911270936 /nfs/dbraw/zinc/27/09/36/911270936.db2.gz QUSYKUXSHLLYPY-GXTWGEPZSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001391623688 911270943 /nfs/dbraw/zinc/27/09/43/911270943.db2.gz QUSYKUXSHLLYPY-GXTWGEPZSA-N 2 2 294.399 0.503 20 0 CCADLP Cc1conc1C[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001391620363 911271443 /nfs/dbraw/zinc/27/14/43/911271443.db2.gz KLXGKEKFJUENAZ-ZDUSSCGKSA-N 2 2 294.399 0.967 20 0 CCADLP Cc1conc1C[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001391620363 911271459 /nfs/dbraw/zinc/27/14/59/911271459.db2.gz KLXGKEKFJUENAZ-ZDUSSCGKSA-N 2 2 294.399 0.967 20 0 CCADLP CN(CC[N@H+](C)CC[C@H]1CCCO1)C(=O)Cn1cc[nH+]c1 ZINC001392334384 911733196 /nfs/dbraw/zinc/73/31/96/911733196.db2.gz NJGRIJMFMMVGMD-CQSZACIVSA-N 2 2 294.399 0.842 20 0 CCADLP CN(CC[N@@H+](C)CC[C@H]1CCCO1)C(=O)Cn1cc[nH+]c1 ZINC001392334384 911733205 /nfs/dbraw/zinc/73/32/05/911733205.db2.gz NJGRIJMFMMVGMD-CQSZACIVSA-N 2 2 294.399 0.842 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+]Cc1nccs1 ZINC001392497450 911858973 /nfs/dbraw/zinc/85/89/73/911858973.db2.gz JLXMYYFWAPUBLK-SNVBAGLBSA-N 2 2 293.396 0.943 20 0 CCADLP CCc1noc(C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001392503236 911866757 /nfs/dbraw/zinc/86/67/57/911866757.db2.gz CDRRDCZKKTZCIC-SNVBAGLBSA-N 2 2 283.376 0.178 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C)o1 ZINC001392503243 911867869 /nfs/dbraw/zinc/86/78/69/911867869.db2.gz CEPGBJZDZNVGNE-ZJUUUORDSA-N 2 2 283.376 0.485 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001417953720 921733205 /nfs/dbraw/zinc/73/32/05/921733205.db2.gz MMHVHRBWEFFIEL-CQSZACIVSA-N 2 2 293.415 0.451 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2cnn(C)c2)C1 ZINC001417953720 921733215 /nfs/dbraw/zinc/73/32/15/921733215.db2.gz MMHVHRBWEFFIEL-CQSZACIVSA-N 2 2 293.415 0.451 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2cnn(C)c2)C1 ZINC001417953720 921733224 /nfs/dbraw/zinc/73/32/24/921733224.db2.gz MMHVHRBWEFFIEL-CQSZACIVSA-N 2 2 293.415 0.451 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2cnn(C)c2)C1 ZINC001417953720 921733239 /nfs/dbraw/zinc/73/32/39/921733239.db2.gz MMHVHRBWEFFIEL-CQSZACIVSA-N 2 2 293.415 0.451 20 0 CCADLP [NH3+]CC[C@@H](NC(=O)C[C@@H]([NH3+])C(F)F)C(F)(F)F ZINC001343505460 923356067 /nfs/dbraw/zinc/35/60/67/923356067.db2.gz NHBRTBXBSZUVRN-RFZPGFLSSA-N 2 2 263.210 0.365 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+]CC[C@@H]1CCCO1 ZINC001399103548 915050016 /nfs/dbraw/zinc/05/00/16/915050016.db2.gz CLHIPYPCNJSKMK-YPMHNXCESA-N 2 2 294.399 0.924 20 0 CCADLP Cc1nocc1C[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001399649422 915288535 /nfs/dbraw/zinc/28/85/35/915288535.db2.gz XISJUSRFDGJKDH-UHFFFAOYSA-N 2 2 280.372 0.627 20 0 CCADLP Cc1nocc1C[N@@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001399649422 915288549 /nfs/dbraw/zinc/28/85/49/915288549.db2.gz XISJUSRFDGJKDH-UHFFFAOYSA-N 2 2 280.372 0.627 20 0 CCADLP CC(C)(C)[NH2+]CC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC001328724485 915384213 /nfs/dbraw/zinc/38/42/13/915384213.db2.gz HDBOKLDZVKREPR-JTQLQIEISA-N 2 2 250.346 0.702 20 0 CCADLP COCC[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001329168695 915723181 /nfs/dbraw/zinc/72/31/81/915723181.db2.gz NSSMUIHWQKTGSH-WDEREUQCSA-N 2 2 268.361 0.092 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001400425978 915745857 /nfs/dbraw/zinc/74/58/57/915745857.db2.gz CYKPNZJBQLYEAY-AAEUAGOBSA-N 2 2 271.405 0.408 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NC2C[NH+](CCCC(C)C)C2)C1 ZINC001400451925 915752418 /nfs/dbraw/zinc/75/24/18/915752418.db2.gz OWCOPSBJENLMRB-HNNXBMFYSA-N 2 2 297.443 0.944 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NC2C[NH+](CCCC(C)C)C2)C1 ZINC001400451925 915752436 /nfs/dbraw/zinc/75/24/36/915752436.db2.gz OWCOPSBJENLMRB-HNNXBMFYSA-N 2 2 297.443 0.944 20 0 CCADLP CCN(CC[NH3+])C(=O)C(=O)NCc1c[nH+]c(C)cc1C ZINC001329437978 915917798 /nfs/dbraw/zinc/91/77/98/915917798.db2.gz PBPTXSAONNPTOU-UHFFFAOYSA-N 2 2 278.356 0.122 20 0 CCADLP CC[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]C[C@@H](C)OC ZINC001400919845 915986687 /nfs/dbraw/zinc/98/66/87/915986687.db2.gz XWLDLTFJHBUQJN-NEPJUHHUSA-N 2 2 282.388 0.482 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@](C)(NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001400994278 916004950 /nfs/dbraw/zinc/00/49/50/916004950.db2.gz SBPVVBQJNCCFJX-IUODEOHRSA-N 2 2 294.399 0.529 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001329924024 916278122 /nfs/dbraw/zinc/27/81/22/916278122.db2.gz NZEBRWJQDBVQAK-TUAOUCFPSA-N 2 2 262.357 0.641 20 0 CCADLP Cc1nc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)oc1C ZINC001401622153 916400745 /nfs/dbraw/zinc/40/07/45/916400745.db2.gz UCYDUHOUDYRYLV-MFKMUULPSA-N 2 2 294.399 0.980 20 0 CCADLP Cc1nc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)oc1C ZINC001401622153 916400750 /nfs/dbraw/zinc/40/07/50/916400750.db2.gz UCYDUHOUDYRYLV-MFKMUULPSA-N 2 2 294.399 0.980 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]C[C@H](C)NC(=O)CCC[NH+](C)C)o1 ZINC001401703764 916497438 /nfs/dbraw/zinc/49/74/38/916497438.db2.gz YZFWWSJJMSDZKN-WDEREUQCSA-N 2 2 297.403 0.875 20 0 CCADLP CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1cnnn1C)[NH+](C)C ZINC001401762132 916571397 /nfs/dbraw/zinc/57/13/97/916571397.db2.gz PPILKFXKJKDYHG-WCQYABFASA-N 2 2 296.419 0.092 20 0 CCADLP CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1cnnn1C)[NH+](C)C ZINC001401762132 916571409 /nfs/dbraw/zinc/57/14/09/916571409.db2.gz PPILKFXKJKDYHG-WCQYABFASA-N 2 2 296.419 0.092 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H](C[NH2+]Cc1ccon1)C1CC1 ZINC001401874512 916647913 /nfs/dbraw/zinc/64/79/13/916647913.db2.gz NJAAJGYFOJQBPI-CYBMUJFWSA-N 2 2 289.339 0.556 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC1([NH2+]C[C@H]2CCOC2)CC1 ZINC001401952756 916728912 /nfs/dbraw/zinc/72/89/12/916728912.db2.gz ILLSJNBLXYLTJW-GFCCVEGCSA-N 2 2 292.383 0.617 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC1([NH2+]C[C@H]2CCOC2)CC1 ZINC001401952756 916728924 /nfs/dbraw/zinc/72/89/24/916728924.db2.gz ILLSJNBLXYLTJW-GFCCVEGCSA-N 2 2 292.383 0.617 20 0 CCADLP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001401954848 916729197 /nfs/dbraw/zinc/72/91/97/916729197.db2.gz LKLXKAPYVJHIJS-NEPJUHHUSA-N 2 2 292.383 0.065 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1([NH2+]C[C@H]2CCCOC2)CC1 ZINC001401988233 916742724 /nfs/dbraw/zinc/74/27/24/916742724.db2.gz YDWFCZLSUXEYSN-CYBMUJFWSA-N 2 2 292.383 0.548 20 0 CCADLP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](Cc2cnns2)C1 ZINC001402120237 916821284 /nfs/dbraw/zinc/82/12/84/916821284.db2.gz AIZPTMYWDPEFOD-ZDUSSCGKSA-N 2 2 297.428 0.570 20 0 CCADLP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+](Cc2cnns2)C1 ZINC001402120237 916821297 /nfs/dbraw/zinc/82/12/97/916821297.db2.gz AIZPTMYWDPEFOD-ZDUSSCGKSA-N 2 2 297.428 0.570 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001402464236 917036957 /nfs/dbraw/zinc/03/69/57/917036957.db2.gz DMYZRVHIAYJEHP-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001402618979 917135144 /nfs/dbraw/zinc/13/51/44/917135144.db2.gz BHXQLQWPNAWVCJ-QNWHQSFQSA-N 2 2 294.399 0.860 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001402618979 917135155 /nfs/dbraw/zinc/13/51/55/917135155.db2.gz BHXQLQWPNAWVCJ-QNWHQSFQSA-N 2 2 294.399 0.860 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001402656603 917158973 /nfs/dbraw/zinc/15/89/73/917158973.db2.gz IJZSZFPPTGDRKC-ZIAGYGMSSA-N 2 2 294.399 0.482 20 0 CCADLP C[C@@H](O)C[N@H+]1CCC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001402656603 917158976 /nfs/dbraw/zinc/15/89/76/917158976.db2.gz IJZSZFPPTGDRKC-ZIAGYGMSSA-N 2 2 294.399 0.482 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1nncs1 ZINC001402911606 917339637 /nfs/dbraw/zinc/33/96/37/917339637.db2.gz UFCWFESPLVVLOJ-WDEREUQCSA-N 2 2 297.428 0.617 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1nncs1 ZINC001402911606 917339653 /nfs/dbraw/zinc/33/96/53/917339653.db2.gz UFCWFESPLVVLOJ-WDEREUQCSA-N 2 2 297.428 0.617 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cccnc1 ZINC001403063903 917452256 /nfs/dbraw/zinc/45/22/56/917452256.db2.gz BEZSVKUFQQTOIM-LLVKDONJSA-N 2 2 273.340 0.642 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+]Cc1ncccn1 ZINC001403130169 917510668 /nfs/dbraw/zinc/51/06/68/917510668.db2.gz DRYQAJJOLPPDHB-NSHDSACASA-N 2 2 288.355 0.276 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC[C@H]1CCOC1 ZINC001403134397 917515054 /nfs/dbraw/zinc/51/50/54/917515054.db2.gz JJBNXDKGQBVTEX-OLZOCXBDSA-N 2 2 280.372 0.404 20 0 CCADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CC(N)=O ZINC001403183380 917565008 /nfs/dbraw/zinc/56/50/08/917565008.db2.gz BAOXBGOVGFOXPK-CHWSQXEVSA-N 2 2 298.431 0.171 20 0 CCADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CC(N)=O ZINC001403183380 917565021 /nfs/dbraw/zinc/56/50/21/917565021.db2.gz BAOXBGOVGFOXPK-CHWSQXEVSA-N 2 2 298.431 0.171 20 0 CCADLP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)CC(N)=O ZINC001403183380 917565038 /nfs/dbraw/zinc/56/50/38/917565038.db2.gz BAOXBGOVGFOXPK-CHWSQXEVSA-N 2 2 298.431 0.171 20 0 CCADLP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC(N)=O ZINC001403183380 917565047 /nfs/dbraw/zinc/56/50/47/917565047.db2.gz BAOXBGOVGFOXPK-CHWSQXEVSA-N 2 2 298.431 0.171 20 0 CCADLP CCOCC[NH2+][C@H]1C[C@H](C)N(C(=O)CCn2cc[nH+]c2)C1 ZINC001332016536 917803163 /nfs/dbraw/zinc/80/31/63/917803163.db2.gz VALBJDBEBZHXFI-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCCF)CN1C(=O)Cc1c[nH+]cn1C ZINC001332052287 917826916 /nfs/dbraw/zinc/82/69/16/917826916.db2.gz XZAASIBHDHWONJ-RYUDHWBXSA-N 2 2 282.363 0.901 20 0 CCADLP O=C(NC12CC[NH+](CC1)C2)[C@@H]1CCn2cc[nH+]c2C1 ZINC001332261168 917999691 /nfs/dbraw/zinc/99/96/91/917999691.db2.gz FACATHKXSSPNTG-LLVKDONJSA-N 2 2 260.341 0.410 20 0 CCADLP CC(C)(O)C[C@@H](O)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC001332288787 918025297 /nfs/dbraw/zinc/02/52/97/918025297.db2.gz VPHBNXHTHNYOLA-WDEREUQCSA-N 2 2 253.346 0.309 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[C@H](C[NH2+]CCCO)C1 ZINC001332305825 918038494 /nfs/dbraw/zinc/03/84/94/918038494.db2.gz ASVMQWZIJMZBGL-RYUDHWBXSA-N 2 2 280.372 0.209 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC)CC(=O)NC ZINC001403852611 918063770 /nfs/dbraw/zinc/06/37/70/918063770.db2.gz OHBZGXWJZHGYDR-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC)CC(=O)NC ZINC001403852611 918063785 /nfs/dbraw/zinc/06/37/85/918063785.db2.gz OHBZGXWJZHGYDR-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](CC)CC(=O)NC ZINC001403852611 918063801 /nfs/dbraw/zinc/06/38/01/918063801.db2.gz OHBZGXWJZHGYDR-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](CC)CC(=O)NC ZINC001403852611 918063816 /nfs/dbraw/zinc/06/38/16/918063816.db2.gz OHBZGXWJZHGYDR-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CC[C@H](C)C[NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001403882335 918084304 /nfs/dbraw/zinc/08/43/04/918084304.db2.gz NHBGHMINZNHHKH-STQMWFEESA-N 2 2 282.388 0.338 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001332675705 918373436 /nfs/dbraw/zinc/37/34/36/918373436.db2.gz CIMJTQWLCRKTQS-LBPRGKRZSA-N 2 2 268.361 0.043 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001332675705 918373451 /nfs/dbraw/zinc/37/34/51/918373451.db2.gz CIMJTQWLCRKTQS-LBPRGKRZSA-N 2 2 268.361 0.043 20 0 CCADLP CCN1CC[NH+](CCCC[NH2+]Cc2ncnn2C)CC1 ZINC001332975848 918571784 /nfs/dbraw/zinc/57/17/84/918571784.db2.gz LBSMHNBXCJSEEY-UHFFFAOYSA-N 2 2 280.420 0.322 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001405100169 918598540 /nfs/dbraw/zinc/59/85/40/918598540.db2.gz VSHJHZOKVNZXEB-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001405100169 918598557 /nfs/dbraw/zinc/59/85/57/918598557.db2.gz VSHJHZOKVNZXEB-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cc(C)no1 ZINC001405375286 918745874 /nfs/dbraw/zinc/74/58/74/918745874.db2.gz VPXXLJDHYXKKHW-GFCCVEGCSA-N 2 2 291.355 0.864 20 0 CCADLP COCC[N@H+]1CC=C(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001333350276 918826767 /nfs/dbraw/zinc/82/67/67/918826767.db2.gz MLBNKNPZSGVCIU-UHFFFAOYSA-N 2 2 292.383 0.737 20 0 CCADLP COCC[N@@H+]1CC=C(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001333350276 918826778 /nfs/dbraw/zinc/82/67/78/918826778.db2.gz MLBNKNPZSGVCIU-UHFFFAOYSA-N 2 2 292.383 0.737 20 0 CCADLP COCC[N@H+]1CC=C(CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001333350276 918826794 /nfs/dbraw/zinc/82/67/94/918826794.db2.gz MLBNKNPZSGVCIU-UHFFFAOYSA-N 2 2 292.383 0.737 20 0 CCADLP COCC[N@@H+]1CC=C(CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001333350276 918826808 /nfs/dbraw/zinc/82/68/08/918826808.db2.gz MLBNKNPZSGVCIU-UHFFFAOYSA-N 2 2 292.383 0.737 20 0 CCADLP CC(C)C[C@H](C[NH2+]C[C@H](C)O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001405940498 918979385 /nfs/dbraw/zinc/97/93/85/918979385.db2.gz NIRSTJVNRPDBMS-NWDGAFQWSA-N 2 2 282.388 0.454 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)[C@@H](C)C(N)=O ZINC001406099578 919050097 /nfs/dbraw/zinc/05/00/97/919050097.db2.gz DHDNPZJFBSFMIS-QWHCGFSZSA-N 2 2 298.431 0.125 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)[C@@H](C)C(N)=O ZINC001406099578 919050103 /nfs/dbraw/zinc/05/01/03/919050103.db2.gz DHDNPZJFBSFMIS-QWHCGFSZSA-N 2 2 298.431 0.125 20 0 CCADLP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@H+](C)[C@@H](C)C(N)=O ZINC001406099578 919050114 /nfs/dbraw/zinc/05/01/14/919050114.db2.gz DHDNPZJFBSFMIS-QWHCGFSZSA-N 2 2 298.431 0.125 20 0 CCADLP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@@H+](C)[C@@H](C)C(N)=O ZINC001406099578 919050123 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CC[N@@H+]1CCC[C@](CO)(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001407646238 919840093 /nfs/dbraw/zinc/84/00/93/919840093.db2.gz VTJPCQHRTNEZQH-HNNXBMFYSA-N 2 2 294.399 0.626 20 0 CCADLP CC[N@H+]1CCC[C@](CO)(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001407646238 919840112 /nfs/dbraw/zinc/84/01/12/919840112.db2.gz VTJPCQHRTNEZQH-HNNXBMFYSA-N 2 2 294.399 0.626 20 0 CCADLP O=C(NCC1([NH2+]CCO)CCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001407783364 919890251 /nfs/dbraw/zinc/89/02/51/919890251.db2.gz HGRYAFJCMCNLRE-GFCCVEGCSA-N 2 2 292.383 0.066 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)N2C[C@H]3CC[NH+](C)[C@H]3C2)CCO1 ZINC001414545400 920385127 /nfs/dbraw/zinc/38/51/27/920385127.db2.gz RLJUOWPJZUIHKY-MJBXVCDLSA-N 2 2 296.415 0.053 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)N2C[C@H]3CC[NH+](C)[C@H]3C2)CCO1 ZINC001414545400 920385143 /nfs/dbraw/zinc/38/51/43/920385143.db2.gz RLJUOWPJZUIHKY-MJBXVCDLSA-N 2 2 296.415 0.053 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)CCO1 ZINC001414545400 920385158 /nfs/dbraw/zinc/38/51/58/920385158.db2.gz RLJUOWPJZUIHKY-MJBXVCDLSA-N 2 2 296.415 0.053 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)CCO1 ZINC001414545400 920385174 /nfs/dbraw/zinc/38/51/74/920385174.db2.gz RLJUOWPJZUIHKY-MJBXVCDLSA-N 2 2 296.415 0.053 20 0 CCADLP CC(C)SCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336877599 921077368 /nfs/dbraw/zinc/07/73/68/921077368.db2.gz VKYUPPXDJVTQLU-UHFFFAOYSA-N 2 2 288.461 0.850 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001340119684 921967740 /nfs/dbraw/zinc/96/77/40/921967740.db2.gz SYGUUPGUOXTWNQ-GFCCVEGCSA-N 2 2 262.357 0.943 20 0 CCADLP C[NH2+]C1(C(=O)NC[C@H](C)Cn2cc[nH+]c2)CCC1 ZINC001340184898 921999712 /nfs/dbraw/zinc/99/97/12/921999712.db2.gz PJJJLZDCYMFTTO-NSHDSACASA-N 2 2 250.346 0.778 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)CC(C)(C)C[NH3+])CCO1 ZINC001340199047 922006664 /nfs/dbraw/zinc/00/66/64/922006664.db2.gz DOANOISBBSMACB-NSHDSACASA-N 2 2 257.378 0.198 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)CC(C)(C)C[NH3+])CCO1 ZINC001340199047 922006678 /nfs/dbraw/zinc/00/66/78/922006678.db2.gz DOANOISBBSMACB-NSHDSACASA-N 2 2 257.378 0.198 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001418330221 922029845 /nfs/dbraw/zinc/02/98/45/922029845.db2.gz RNMBZLNGPKLIFL-OLZOCXBDSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@H](C(N)=O)[N@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001418502580 922194556 /nfs/dbraw/zinc/19/45/56/922194556.db2.gz LJSMGCJFEIJPLO-CHWSQXEVSA-N 2 2 298.431 0.173 20 0 CCADLP C[C@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001418502580 922194562 /nfs/dbraw/zinc/19/45/62/922194562.db2.gz LJSMGCJFEIJPLO-CHWSQXEVSA-N 2 2 298.431 0.173 20 0 CCADLP Cc1ncoc1C[NH+](C)CCNC(=O)C[N@@H+](C)C(C)C ZINC001418528855 922217981 /nfs/dbraw/zinc/21/79/81/922217981.db2.gz WWTUFUNJPARPMZ-UHFFFAOYSA-N 2 2 282.388 0.871 20 0 CCADLP Cc1ncoc1C[NH+](C)CCNC(=O)C[N@H+](C)C(C)C ZINC001418528855 922217997 /nfs/dbraw/zinc/21/79/97/922217997.db2.gz WWTUFUNJPARPMZ-UHFFFAOYSA-N 2 2 282.388 0.871 20 0 CCADLP Cc1ncoc1C[N@@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC001418528855 922218013 /nfs/dbraw/zinc/21/80/13/922218013.db2.gz WWTUFUNJPARPMZ-UHFFFAOYSA-N 2 2 282.388 0.871 20 0 CCADLP Cc1ncoc1C[N@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC001418528855 922218028 /nfs/dbraw/zinc/21/80/28/922218028.db2.gz WWTUFUNJPARPMZ-UHFFFAOYSA-N 2 2 282.388 0.871 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001418682071 922359816 /nfs/dbraw/zinc/35/98/16/922359816.db2.gz JSWZFXBUFFGSEB-OBJOEFQTSA-N 2 2 294.399 0.862 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001418682071 922359831 /nfs/dbraw/zinc/35/98/31/922359831.db2.gz JSWZFXBUFFGSEB-OBJOEFQTSA-N 2 2 294.399 0.862 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001418700815 922374091 /nfs/dbraw/zinc/37/40/91/922374091.db2.gz VTKMRGMMIBCPLE-IJLUTSLNSA-N 2 2 280.372 0.472 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC2(CC[NH2+]CC2)CC1 ZINC001341657766 922610589 /nfs/dbraw/zinc/61/05/89/922610589.db2.gz GVBJGVBGCWHJAI-UHFFFAOYSA-N 2 2 262.357 0.944 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@H](CC)[NH2+]C ZINC001341753938 922659156 /nfs/dbraw/zinc/65/91/56/922659156.db2.gz UGEIEFVYVZFDQA-NEPJUHHUSA-N 2 2 257.378 0.211 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001341900034 922717033 /nfs/dbraw/zinc/71/70/33/922717033.db2.gz YHXJFLDFJPGNSK-SDDRHHMPSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001341900034 922717039 /nfs/dbraw/zinc/71/70/39/922717039.db2.gz YHXJFLDFJPGNSK-SDDRHHMPSA-N 2 2 262.357 0.656 20 0 CCADLP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cnsn1 ZINC001419289990 922756451 /nfs/dbraw/zinc/75/64/51/922756451.db2.gz VDYPJNCWEWMSIM-MNOVXSKESA-N 2 2 297.428 0.474 20 0 CCADLP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnsn1 ZINC001419289990 922756460 /nfs/dbraw/zinc/75/64/60/922756460.db2.gz VDYPJNCWEWMSIM-MNOVXSKESA-N 2 2 297.428 0.474 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC001342196734 922856166 /nfs/dbraw/zinc/85/61/66/922856166.db2.gz WJEXRJXKVDMHGR-RYUDHWBXSA-N 2 2 257.378 0.149 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1ccnn1C ZINC001419537817 922901818 /nfs/dbraw/zinc/90/18/18/922901818.db2.gz IURMEIWDGHKWPZ-GFCCVEGCSA-N 2 2 290.371 0.159 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001419569682 922921768 /nfs/dbraw/zinc/92/17/68/922921768.db2.gz REYXPEQXIUGAED-CHWSQXEVSA-N 2 2 280.372 0.092 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnsn1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001419644836 922962117 /nfs/dbraw/zinc/96/21/17/922962117.db2.gz FDIKTMHIUKOKCH-JQWIXIFHSA-N 2 2 297.428 0.569 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnsn1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001419644836 922962136 /nfs/dbraw/zinc/96/21/36/922962136.db2.gz FDIKTMHIUKOKCH-JQWIXIFHSA-N 2 2 297.428 0.569 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1cnsn1 ZINC001419744303 923061654 /nfs/dbraw/zinc/06/16/54/923061654.db2.gz UGNWRVOTBVBSHC-HOSYDEDBSA-N 2 2 297.428 0.473 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1cnsn1 ZINC001419744303 923061674 /nfs/dbraw/zinc/06/16/74/923061674.db2.gz UGNWRVOTBVBSHC-HOSYDEDBSA-N 2 2 297.428 0.473 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC001342952690 923147865 /nfs/dbraw/zinc/14/78/65/923147865.db2.gz WAYJDWKCHWBIPA-XQQFMLRXSA-N 2 2 269.389 0.293 20 0 CCADLP COC[C@H](C)[NH2+][C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001419912376 923162367 /nfs/dbraw/zinc/16/23/67/923162367.db2.gz VOSMXHREVHCFRR-AAEUAGOBSA-N 2 2 282.388 0.718 20 0 CCADLP C[C@@H]([NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1)c1cnccn1 ZINC001419954514 923188469 /nfs/dbraw/zinc/18/84/69/923188469.db2.gz HBSSFZAVUZNVJQ-NWDGAFQWSA-N 2 2 288.355 0.529 20 0 CCADLP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)[C@H]1CCn2cc[nH+]c2C1 ZINC001343072602 923191286 /nfs/dbraw/zinc/19/12/86/923191286.db2.gz VFTXGLGSGISJFG-WHOHXGKFSA-N 2 2 260.341 0.455 20 0 CCADLP C[C@@H](CC(=O)N1CC([NH2+][C@H]2CCOC2)C1)n1cc[nH+]c1 ZINC001420141883 923343463 /nfs/dbraw/zinc/34/34/63/923343463.db2.gz DZTXUCDIHBNKGN-RYUDHWBXSA-N 2 2 278.356 0.424 20 0 CCADLP C[C@H](CCC[NH3+])NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001343506548 923354640 /nfs/dbraw/zinc/35/46/40/923354640.db2.gz FTSGVJXXLHBLEA-GHMZBOCLSA-N 2 2 250.346 0.689 20 0 CCADLP [NH3+]CC[C@H](NC(=O)C[C@H]([NH3+])C(F)F)C(F)(F)F ZINC001343505462 923355150 /nfs/dbraw/zinc/35/51/50/923355150.db2.gz NHBRTBXBSZUVRN-WHFBIAKZSA-N 2 2 263.210 0.365 20 0 CCADLP Cc1oncc1C[NH+](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001420295366 923513725 /nfs/dbraw/zinc/51/37/25/923513725.db2.gz IJZBRBIWGAEFQF-GFCCVEGCSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1oncc1C[NH+](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001420295366 923513734 /nfs/dbraw/zinc/51/37/34/923513734.db2.gz IJZBRBIWGAEFQF-GFCCVEGCSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1oncc1C[N@@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001420295366 923513742 /nfs/dbraw/zinc/51/37/42/923513742.db2.gz IJZBRBIWGAEFQF-GFCCVEGCSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1oncc1C[N@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001420295366 923513750 /nfs/dbraw/zinc/51/37/50/923513750.db2.gz IJZBRBIWGAEFQF-GFCCVEGCSA-N 2 2 294.399 0.873 20 0 CCADLP CCc1nnc(C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C)o1 ZINC001420338515 923555293 /nfs/dbraw/zinc/55/52/93/923555293.db2.gz JIXWXPHDRQHYLR-SNVBAGLBSA-N 2 2 283.376 0.178 20 0 CCADLP COCCC1(NC(=O)Cc2[nH]cc[nH+]2)CC[NH2+]CC1 ZINC001344471024 923612699 /nfs/dbraw/zinc/61/26/99/923612699.db2.gz LOPUGLXJEYWSKP-UHFFFAOYSA-N 2 2 266.345 0.227 20 0 CCADLP C[C@@H](O)CCC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001420508916 923728004 /nfs/dbraw/zinc/72/80/04/923728004.db2.gz WEEAYSPULCADHQ-ZIAGYGMSSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@@H](O)CCC[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001420508916 923728010 /nfs/dbraw/zinc/72/80/10/923728010.db2.gz WEEAYSPULCADHQ-ZIAGYGMSSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001420527482 923748394 /nfs/dbraw/zinc/74/83/94/923748394.db2.gz FRWSGDWBNRUDTF-NEPJUHHUSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001420527482 923748419 /nfs/dbraw/zinc/74/84/19/923748419.db2.gz FRWSGDWBNRUDTF-NEPJUHHUSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001420527482 923748429 /nfs/dbraw/zinc/74/84/29/923748429.db2.gz FRWSGDWBNRUDTF-NEPJUHHUSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001420527482 923748443 /nfs/dbraw/zinc/74/84/43/923748443.db2.gz FRWSGDWBNRUDTF-NEPJUHHUSA-N 2 2 280.372 0.161 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CCn2cc[nH+]c2C1)Cn1cccn1 ZINC001345635323 923937429 /nfs/dbraw/zinc/93/74/29/923937429.db2.gz MJFQXDHYWCRGSQ-VXGBXAGGSA-N 2 2 261.329 0.045 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CC[N@@H+]1C[C@@H]1CCOC1 ZINC001420897332 924007886 /nfs/dbraw/zinc/00/78/86/924007886.db2.gz RLLSOBBTEZWCCN-STQMWFEESA-N 2 2 292.383 0.488 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CC[N@H+]1C[C@@H]1CCOC1 ZINC001420897332 924007893 /nfs/dbraw/zinc/00/78/93/924007893.db2.gz RLLSOBBTEZWCCN-STQMWFEESA-N 2 2 292.383 0.488 20 0 CCADLP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC001346179356 924099161 /nfs/dbraw/zinc/09/91/61/924099161.db2.gz JQKDWKRKUPNBKF-GDBMZVCRSA-N 3 2 298.475 0.057 20 0 CCADLP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC001346179356 924099170 /nfs/dbraw/zinc/09/91/70/924099170.db2.gz JQKDWKRKUPNBKF-GDBMZVCRSA-N 3 2 298.475 0.057 20 0 CCADLP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@@H](O)CN(C)C2CC2)CC1 ZINC001346179356 924099181 /nfs/dbraw/zinc/09/91/81/924099181.db2.gz JQKDWKRKUPNBKF-GDBMZVCRSA-N 2 2 298.475 0.057 20 0 CCADLP C[NH+](C)[C@@H]1C[C@H]([NH2+]C[C@@H](O)C2(O)CCC2)C12CCC2 ZINC001346376926 924182259 /nfs/dbraw/zinc/18/22/59/924182259.db2.gz KDJGIWRQPLOCQJ-YNEHKIRRSA-N 2 2 268.401 0.725 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CCCCC[NH3+] ZINC001346582061 924268893 /nfs/dbraw/zinc/26/88/93/924268893.db2.gz GBWJTXTUMFSOIV-ZDUSSCGKSA-N 2 2 271.405 0.685 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001347597997 924489057 /nfs/dbraw/zinc/48/90/57/924489057.db2.gz UBCVERAJMGJIDI-CYZMBNFOSA-N 2 2 262.357 0.419 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001347597997 924489061 /nfs/dbraw/zinc/48/90/61/924489061.db2.gz UBCVERAJMGJIDI-CYZMBNFOSA-N 2 2 262.357 0.419 20 0 CCADLP C[NH+](C)Cc1nc(CNC(=O)C[NH+]2CCCC2)co1 ZINC001347945989 924562193 /nfs/dbraw/zinc/56/21/93/924562193.db2.gz JGUGXMXZZVRJDX-UHFFFAOYSA-N 2 2 266.345 0.448 20 0 CCADLP [NH3+]CC12CC(C1)CN2C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001348052767 924587661 /nfs/dbraw/zinc/58/76/61/924587661.db2.gz UEMHPHQMYLTWTI-CVZZAPKMSA-N 2 2 260.341 0.395 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc[nH+]c(N)n1 ZINC001348170914 924611450 /nfs/dbraw/zinc/61/14/50/924611450.db2.gz AXBRALLUVSGSDR-MNOVXSKESA-N 2 2 263.345 0.358 20 0 CCADLP C[NH+](C)Cc1nc(CNC(=O)[C@@H]2CCC[N@@H+]2C)co1 ZINC001348485786 924702887 /nfs/dbraw/zinc/70/28/87/924702887.db2.gz VEMPNNGVZBFHQG-NSHDSACASA-N 2 2 266.345 0.447 20 0 CCADLP C[NH+](C)Cc1nc(CNC(=O)[C@@H]2CCC[N@H+]2C)co1 ZINC001348485786 924702889 /nfs/dbraw/zinc/70/28/89/924702889.db2.gz VEMPNNGVZBFHQG-NSHDSACASA-N 2 2 266.345 0.447 20 0 CCADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)CCc1[nH+]ccn1C ZINC001349392154 924947413 /nfs/dbraw/zinc/94/74/13/924947413.db2.gz PPMJMMJNXOAWHJ-NWDGAFQWSA-N 2 2 264.373 0.904 20 0 CCADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CCc1[nH+]ccn1C ZINC001349392154 924947417 /nfs/dbraw/zinc/94/74/17/924947417.db2.gz PPMJMMJNXOAWHJ-NWDGAFQWSA-N 2 2 264.373 0.904 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1c[nH+]cn1C ZINC001353500053 925850629 /nfs/dbraw/zinc/85/06/29/925850629.db2.gz JSWJBVZZRFIKSD-JQWIXIFHSA-N 2 2 265.361 0.831 20 0 CCADLP Nc1cc(NC[C@H]2CCC[N@@H+]2CCCO)nc[nH+]1 ZINC001354203527 926038937 /nfs/dbraw/zinc/03/89/37/926038937.db2.gz DKGODWZPCVOOTG-SNVBAGLBSA-N 2 2 251.334 0.318 20 0 CCADLP Nc1cc(NC[C@H]2CCC[N@H+]2CCCO)nc[nH+]1 ZINC001354203527 926038946 /nfs/dbraw/zinc/03/89/46/926038946.db2.gz DKGODWZPCVOOTG-SNVBAGLBSA-N 2 2 251.334 0.318 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC001356548407 926400661 /nfs/dbraw/zinc/40/06/61/926400661.db2.gz MZFPOSWNWOAEJU-MNOVXSKESA-N 2 2 251.334 0.038 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)NC[C@H]2C=CCC2)CC1 ZINC001357546260 926559307 /nfs/dbraw/zinc/55/93/07/926559307.db2.gz KDMWGGFBNWZIOP-LBPRGKRZSA-N 2 2 266.389 0.675 20 0 CCADLP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](CCCO)C1 ZINC001421349525 926692238 /nfs/dbraw/zinc/69/22/38/926692238.db2.gz HJKRSGUYRBPIMO-ZDUSSCGKSA-N 2 2 280.372 0.257 20 0 CCADLP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001421349525 926692245 /nfs/dbraw/zinc/69/22/45/926692245.db2.gz HJKRSGUYRBPIMO-ZDUSSCGKSA-N 2 2 280.372 0.257 20 0 CCADLP CCC[C@H](O)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC001413981102 926718940 /nfs/dbraw/zinc/71/89/40/926718940.db2.gz ROEUNFZSAACGBC-UONOGXRCSA-N 2 2 283.416 0.562 20 0 CCADLP CCC[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC001413981102 926718948 /nfs/dbraw/zinc/71/89/48/926718948.db2.gz ROEUNFZSAACGBC-UONOGXRCSA-N 2 2 283.416 0.562 20 0 CCADLP C[C@@H]([NH2+]CCO)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001421521460 926787086 /nfs/dbraw/zinc/78/70/86/926787086.db2.gz HVXLIHQPHPIFEF-CHWSQXEVSA-N 2 2 280.372 0.092 20 0 CCADLP Cc1conc1C[NH2+]C[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001421769364 926901703 /nfs/dbraw/zinc/90/17/03/926901703.db2.gz OCQKUQJDXUQVQB-NSHDSACASA-N 2 2 291.355 0.722 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+](C)[C@@H](C)C(N)=O ZINC001422242022 927171455 /nfs/dbraw/zinc/17/14/55/927171455.db2.gz CAGBNMGWRGZSON-STQMWFEESA-N 2 2 298.431 0.125 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+](C)[C@@H](C)C(N)=O ZINC001422242022 927171463 /nfs/dbraw/zinc/17/14/63/927171463.db2.gz CAGBNMGWRGZSON-STQMWFEESA-N 2 2 298.431 0.125 20 0 CCADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)CC[N@H+](C)[C@@H](C)C(N)=O ZINC001422242022 927171472 /nfs/dbraw/zinc/17/14/72/927171472.db2.gz CAGBNMGWRGZSON-STQMWFEESA-N 2 2 298.431 0.125 20 0 CCADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)CC[N@@H+](C)[C@@H](C)C(N)=O ZINC001422242022 927171477 /nfs/dbraw/zinc/17/14/77/927171477.db2.gz CAGBNMGWRGZSON-STQMWFEESA-N 2 2 298.431 0.125 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001361829156 927364083 /nfs/dbraw/zinc/36/40/83/927364083.db2.gz LFKIIIRFGCYJOY-JHJVBQTASA-N 2 2 280.372 0.233 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC001361829156 927364094 /nfs/dbraw/zinc/36/40/94/927364094.db2.gz LFKIIIRFGCYJOY-JHJVBQTASA-N 2 2 280.372 0.233 20 0 CCADLP Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)o1 ZINC001422588654 927387876 /nfs/dbraw/zinc/38/78/76/927387876.db2.gz FZGAHXDGKUPCIJ-ZYHUDNBSSA-N 2 2 295.387 0.314 20 0 CCADLP Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)o1 ZINC001422588654 927387894 /nfs/dbraw/zinc/38/78/94/927387894.db2.gz FZGAHXDGKUPCIJ-ZYHUDNBSSA-N 2 2 295.387 0.314 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]C[C@H](C)NC(=O)C[NH+]2CCCC2)o1 ZINC001422744761 927485174 /nfs/dbraw/zinc/48/51/74/927485174.db2.gz KWZGRKQNXNIBDQ-WDEREUQCSA-N 2 2 295.387 0.629 20 0 CCADLP CO[C@H](C)C[NH+]1CC([C@H](C)NC(=O)Cc2c[nH+]cn2C)C1 ZINC001422756639 927492404 /nfs/dbraw/zinc/49/24/04/927492404.db2.gz UBIYGIBRZULZNW-NEPJUHHUSA-N 2 2 294.399 0.434 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001361983121 927495344 /nfs/dbraw/zinc/49/53/44/927495344.db2.gz RGRGAMLZPDSFBZ-UONOGXRCSA-N 2 2 292.383 0.020 20 0 CCADLP C[C@@H](CC[NH+](C)C)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC001362035465 927542678 /nfs/dbraw/zinc/54/26/78/927542678.db2.gz NLKQELKHAFEQPC-GJZGRUSLSA-N 2 2 297.443 0.897 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001423169345 927705130 /nfs/dbraw/zinc/70/51/30/927705130.db2.gz JXGYCFFXOKNANE-QWHCGFSZSA-N 2 2 296.415 0.824 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC2([NH2+]Cc3ccon3)CC2)CC[N@@H+]1C ZINC001423220098 927747915 /nfs/dbraw/zinc/74/79/15/927747915.db2.gz CVFBRMMRBNPBCI-DGCLKSJQSA-N 2 2 292.383 0.753 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC2([NH2+]Cc3ccon3)CC2)CC[N@H+]1C ZINC001423220098 927747933 /nfs/dbraw/zinc/74/79/33/927747933.db2.gz CVFBRMMRBNPBCI-DGCLKSJQSA-N 2 2 292.383 0.753 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](CO)[NH2+]CCC(C)C ZINC001423292043 927795314 /nfs/dbraw/zinc/79/53/14/927795314.db2.gz WLYMUQOXMOCZJY-GFCCVEGCSA-N 2 2 282.388 0.373 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](O)C[NH2+]CC(C)C ZINC001423487584 927886482 /nfs/dbraw/zinc/88/64/82/927886482.db2.gz ULAXWWIOFLQAIK-LBPRGKRZSA-N 2 2 282.388 0.326 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001423522226 927907778 /nfs/dbraw/zinc/90/77/78/927907778.db2.gz YIZMRHAMYIDHIH-CYBMUJFWSA-N 2 2 296.415 0.512 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001423522226 927907791 /nfs/dbraw/zinc/90/77/91/927907791.db2.gz YIZMRHAMYIDHIH-CYBMUJFWSA-N 2 2 296.415 0.512 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@@H+](C)C(C)C)o1 ZINC001424855301 928319705 /nfs/dbraw/zinc/31/97/05/928319705.db2.gz MFIIASCCJKHSHW-MNOVXSKESA-N 2 2 297.403 0.701 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)C(C)C)o1 ZINC001424855301 928319715 /nfs/dbraw/zinc/31/97/15/928319715.db2.gz MFIIASCCJKHSHW-MNOVXSKESA-N 2 2 297.403 0.701 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)C1 ZINC001362743657 928433652 /nfs/dbraw/zinc/43/36/52/928433652.db2.gz YVNWQMRNCYETND-WCQYABFASA-N 2 2 277.372 0.224 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)C1 ZINC001362743657 928433660 /nfs/dbraw/zinc/43/36/60/928433660.db2.gz YVNWQMRNCYETND-WCQYABFASA-N 2 2 277.372 0.224 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001425115289 928439325 /nfs/dbraw/zinc/43/93/25/928439325.db2.gz VEPMZYGDVVHGOL-UONOGXRCSA-N 2 2 295.427 0.576 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001425115289 928439337 /nfs/dbraw/zinc/43/93/37/928439337.db2.gz VEPMZYGDVVHGOL-UONOGXRCSA-N 2 2 295.427 0.576 20 0 CCADLP CCC[NH+]1CC(CCO)(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001425137163 928443019 /nfs/dbraw/zinc/44/30/19/928443019.db2.gz WQOXQNWIIZPNSE-UHFFFAOYSA-N 2 2 271.405 0.290 20 0 CCADLP CCC[NH+]1CC(CCO)(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001425137163 928443025 /nfs/dbraw/zinc/44/30/25/928443025.db2.gz WQOXQNWIIZPNSE-UHFFFAOYSA-N 2 2 271.405 0.290 20 0 CCADLP CC(C)C[NH+]1CCC(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)CC1 ZINC001362769588 928465330 /nfs/dbraw/zinc/46/53/30/928465330.db2.gz MFINEJQOQYFSDJ-OAHLLOKOSA-N 2 2 297.443 0.489 20 0 CCADLP CC(C)C[NH+]1CCC(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)CC1 ZINC001362769588 928465337 /nfs/dbraw/zinc/46/53/37/928465337.db2.gz MFINEJQOQYFSDJ-OAHLLOKOSA-N 2 2 297.443 0.489 20 0 CCADLP Cc1oncc1C[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001425642072 928614251 /nfs/dbraw/zinc/61/42/51/928614251.db2.gz SOOJISCZJBRNMC-SNVBAGLBSA-N 2 2 291.355 0.885 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@@H]21 ZINC001362887669 928616969 /nfs/dbraw/zinc/61/69/69/928616969.db2.gz VVRBQQLWHSMGER-SCRDCRAPSA-N 2 2 274.368 0.608 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@@H]21 ZINC001362887669 928616978 /nfs/dbraw/zinc/61/69/78/928616978.db2.gz VVRBQQLWHSMGER-SCRDCRAPSA-N 2 2 274.368 0.608 20 0 CCADLP CC[C@H](C[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]cn1C)OC ZINC001425679251 928621799 /nfs/dbraw/zinc/62/17/99/928621799.db2.gz LCUNCBQKVDHTCS-TZMCWYRMSA-N 2 2 296.415 0.824 20 0 CCADLP C[C@H]1[C@@H](NC(=O)CCc2[nH+]ccn2C)CCC[N@@H+]1CCO ZINC001425926777 928708637 /nfs/dbraw/zinc/70/86/37/928708637.db2.gz IPDDODYKXXSKAK-STQMWFEESA-N 2 2 294.399 0.314 20 0 CCADLP C[C@H]1[C@@H](NC(=O)CCc2[nH+]ccn2C)CCC[N@H+]1CCO ZINC001425926777 928708643 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20 0 CCADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001363670229 929471843 /nfs/dbraw/zinc/47/18/43/929471843.db2.gz BGLJEWCARQKNBJ-RYUDHWBXSA-N 2 2 290.367 0.035 20 0 CCADLP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]C3CC(S(C)(=O)=O)C3)[C@@H]2C1 ZINC001363679718 929480918 /nfs/dbraw/zinc/48/09/18/929480918.db2.gz KINNOJVGPPVMDS-NVNOCSQKSA-N 2 2 272.414 0.492 20 0 CCADLP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C3CC(S(C)(=O)=O)C3)[C@@H]2C1 ZINC001363679718 929480927 /nfs/dbraw/zinc/48/09/27/929480927.db2.gz KINNOJVGPPVMDS-NVNOCSQKSA-N 2 2 272.414 0.492 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC1C[NH+](CC[C@@H]2CCCO2)C1 ZINC001443621135 929663316 /nfs/dbraw/zinc/66/33/16/929663316.db2.gz JKMBFHKOFGTVKT-AWEZNQCLSA-N 2 2 292.383 0.569 20 0 CCADLP Cc1cc(C[NH+](C)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)on1 ZINC001371968359 929690080 /nfs/dbraw/zinc/69/00/80/929690080.db2.gz GSMZIADOCLMKDX-TZMCWYRMSA-N 2 2 294.399 0.871 20 0 CCADLP Cc1cc(C[NH+](C)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)on1 ZINC001371968359 929690087 /nfs/dbraw/zinc/69/00/87/929690087.db2.gz GSMZIADOCLMKDX-TZMCWYRMSA-N 2 2 294.399 0.871 20 0 CCADLP Cc1cc(C[N@@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)on1 ZINC001371968359 929690094 /nfs/dbraw/zinc/69/00/94/929690094.db2.gz GSMZIADOCLMKDX-TZMCWYRMSA-N 2 2 294.399 0.871 20 0 CCADLP Cc1cc(C[N@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)on1 ZINC001371968359 929690102 /nfs/dbraw/zinc/69/01/02/929690102.db2.gz GSMZIADOCLMKDX-TZMCWYRMSA-N 2 2 294.399 0.871 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[N@@H+](C)C/C=C/Cl ZINC001372043753 929713344 /nfs/dbraw/zinc/71/33/44/929713344.db2.gz ICKBYTUQVKSWIA-ONEGZZNKSA-N 2 2 270.764 0.992 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[N@H+](C)C/C=C/Cl ZINC001372043753 929713353 /nfs/dbraw/zinc/71/33/53/929713353.db2.gz ICKBYTUQVKSWIA-ONEGZZNKSA-N 2 2 270.764 0.992 20 0 CCADLP C[C@@H](O)CCC[N@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001372184673 929759738 /nfs/dbraw/zinc/75/97/38/929759738.db2.gz SCSJJOGNGYFBLB-GFCCVEGCSA-N 2 2 282.388 0.172 20 0 CCADLP C[C@@H](O)CCC[N@@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001372184673 929759745 /nfs/dbraw/zinc/75/97/45/929759745.db2.gz SCSJJOGNGYFBLB-GFCCVEGCSA-N 2 2 282.388 0.172 20 0 CCADLP CC[C@@H](C[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH+]cn1C)OC ZINC001444718359 929940410 /nfs/dbraw/zinc/94/04/10/929940410.db2.gz WJVLQZIUPYNAHM-OCCSQVGLSA-N 2 2 296.415 0.824 20 0 CCADLP CC(C)[C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]CCO ZINC001444913216 929972001 /nfs/dbraw/zinc/97/20/01/929972001.db2.gz OJZCSBSQUSNZAA-CHWSQXEVSA-N 2 2 282.388 0.557 20 0 CCADLP C[C@@H](O)C[N@H+](C)CCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001445059279 930021043 /nfs/dbraw/zinc/02/10/43/930021043.db2.gz ZLALQHOPZXJSHH-NWDGAFQWSA-N 2 2 282.388 0.359 20 0 CCADLP C[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001445059279 930021054 /nfs/dbraw/zinc/02/10/54/930021054.db2.gz ZLALQHOPZXJSHH-NWDGAFQWSA-N 2 2 282.388 0.359 20 0 CCADLP C[C@@H](O)C[N@H+](C)CCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001445059279 930021062 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0 CCADLP COC[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001373299219 930132603 /nfs/dbraw/zinc/13/26/03/930132603.db2.gz DRCRROAQVGEIRU-STQMWFEESA-N 2 2 294.399 0.767 20 0 CCADLP COC[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001373299219 930132613 /nfs/dbraw/zinc/13/26/13/930132613.db2.gz DRCRROAQVGEIRU-STQMWFEESA-N 2 2 294.399 0.767 20 0 CCADLP C[C@@H](C[NH2+]CC1CC1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001445566890 930171586 /nfs/dbraw/zinc/17/15/86/930171586.db2.gz BYSFUNZZWXYMQW-WCQYABFASA-N 2 2 276.384 0.950 20 0 CCADLP C[C@@H](C[N@H+](C)CCCO)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001445819693 930258149 /nfs/dbraw/zinc/25/81/49/930258149.db2.gz NSHDEJZUVWXRIN-RYUDHWBXSA-N 2 2 282.388 0.407 20 0 CCADLP C[C@@H](C[N@@H+](C)CCCO)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001445819693 930258157 /nfs/dbraw/zinc/25/81/57/930258157.db2.gz NSHDEJZUVWXRIN-RYUDHWBXSA-N 2 2 282.388 0.407 20 0 CCADLP C[C@@H](C[N@H+](C)CCCO)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001445819693 930258163 /nfs/dbraw/zinc/25/81/63/930258163.db2.gz NSHDEJZUVWXRIN-RYUDHWBXSA-N 2 2 282.388 0.407 20 0 CCADLP C[C@@H](C[N@@H+](C)CCCO)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001445819693 930258167 /nfs/dbraw/zinc/25/81/67/930258167.db2.gz NSHDEJZUVWXRIN-RYUDHWBXSA-N 2 2 282.388 0.407 20 0 CCADLP C[C@H](C[N@H+](C)CC[C@H]1CCOC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001445821525 930258502 /nfs/dbraw/zinc/25/85/02/930258502.db2.gz QYCSYILEMYHGGR-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H](C[N@@H+](C)CC[C@H]1CCOC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001445821525 930258510 /nfs/dbraw/zinc/25/85/10/930258510.db2.gz QYCSYILEMYHGGR-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H](C[N@H+](C)Cc1ccn(C)n1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001445869011 930275931 /nfs/dbraw/zinc/27/59/31/930275931.db2.gz LZORRWDOEPYLFT-OLZOCXBDSA-N 2 2 293.415 0.308 20 0 CCADLP C[C@H](C[N@@H+](C)Cc1ccn(C)n1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001445869011 930275937 /nfs/dbraw/zinc/27/59/37/930275937.db2.gz LZORRWDOEPYLFT-OLZOCXBDSA-N 2 2 293.415 0.308 20 0 CCADLP C[C@H](C[NH+](C)Cc1ccn(C)n1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001445869011 930275944 /nfs/dbraw/zinc/27/59/44/930275944.db2.gz LZORRWDOEPYLFT-OLZOCXBDSA-N 2 2 293.415 0.308 20 0 CCADLP C[C@H](C[NH+](C)Cc1ccn(C)n1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001445869011 930275952 /nfs/dbraw/zinc/27/59/52/930275952.db2.gz LZORRWDOEPYLFT-OLZOCXBDSA-N 2 2 293.415 0.308 20 0 CCADLP C[C@H](c1cnccn1)[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001446088252 930332254 /nfs/dbraw/zinc/33/22/54/930332254.db2.gz WYKLVJNMLACZAL-CHWSQXEVSA-N 2 2 291.399 0.680 20 0 CCADLP C[C@H](c1cnccn1)[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001446088252 930332261 /nfs/dbraw/zinc/33/22/61/930332261.db2.gz WYKLVJNMLACZAL-CHWSQXEVSA-N 2 2 291.399 0.680 20 0 CCADLP CC[C@H](CNC(=O)Cn1c[nH+]cc1C)[NH2+]Cc1ccon1 ZINC001373774596 930340842 /nfs/dbraw/zinc/34/08/42/930340842.db2.gz OQQNVVHDJGDQKD-GFCCVEGCSA-N 2 2 291.355 0.864 20 0 CCADLP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC1CCOCC1 ZINC001373801331 930344946 /nfs/dbraw/zinc/34/49/46/930344946.db2.gz FKOUVNQHQDKSPN-ZDUSSCGKSA-N 2 2 294.399 0.863 20 0 CCADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1conc1C ZINC001373834093 930356223 /nfs/dbraw/zinc/35/62/23/930356223.db2.gz IJJBGVJQVHFPSZ-CYBMUJFWSA-N 2 2 291.355 0.864 20 0 CCADLP CCCC[N@@H+]1CCO[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001374140875 930435160 /nfs/dbraw/zinc/43/51/60/930435160.db2.gz JFYZXWYENMERPJ-AWEZNQCLSA-N 2 2 294.399 0.809 20 0 CCADLP CCCC[N@H+]1CCO[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001374140875 930435169 /nfs/dbraw/zinc/43/51/69/930435169.db2.gz JFYZXWYENMERPJ-AWEZNQCLSA-N 2 2 294.399 0.809 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@]1(C)CC[N@H+](CC2CC2)C1 ZINC001446551255 930435371 /nfs/dbraw/zinc/43/53/71/930435371.db2.gz OONPJCZPTPKTGV-OAHLLOKOSA-N 2 2 276.384 0.953 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@]1(C)CC[N@@H+](CC2CC2)C1 ZINC001446551255 930435379 /nfs/dbraw/zinc/43/53/79/930435379.db2.gz OONPJCZPTPKTGV-OAHLLOKOSA-N 2 2 276.384 0.953 20 0 CCADLP C[C@H](C[NH2+]Cc1csnn1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001374269627 930473561 /nfs/dbraw/zinc/47/35/61/930473561.db2.gz ARFHGMSUNQOZKU-ZYHUDNBSSA-N 2 2 297.428 0.569 20 0 CCADLP C[C@H](C[NH2+]Cc1csnn1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001374269627 930473565 /nfs/dbraw/zinc/47/35/65/930473565.db2.gz ARFHGMSUNQOZKU-ZYHUDNBSSA-N 2 2 297.428 0.569 20 0 CCADLP CCC[NH2+]C1CCN(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001447001053 930538192 /nfs/dbraw/zinc/53/81/92/930538192.db2.gz WOOKHJCCVBTLAQ-UHFFFAOYSA-N 2 2 293.415 0.463 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCC[C@H](C)[NH2+]C[C@H](C)O)c[nH+]1 ZINC001447648676 930677640 /nfs/dbraw/zinc/67/76/40/930677640.db2.gz AMBQSJRBZGBVGL-AAEUAGOBSA-N 2 2 296.415 0.792 20 0 CCADLP Cc1oncc1C[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001374983677 930745380 /nfs/dbraw/zinc/74/53/80/930745380.db2.gz NEEOILHLJSMCSN-JTQLQIEISA-N 2 2 277.328 0.474 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@H](NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001375240671 930825079 /nfs/dbraw/zinc/82/50/79/930825079.db2.gz JZVQYWYYLIKSCK-WCQYABFASA-N 2 2 280.372 0.138 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@H](NC(=O)CCc1c[nH+]cn1C)C1CC1 ZINC001375270245 930833327 /nfs/dbraw/zinc/83/33/27/930833327.db2.gz KIMCPWRMLKPHRO-SMDDNHRTSA-N 2 2 294.399 0.218 20 0 CCADLP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)Cc1ccn(C)n1 ZINC001448152229 930840018 /nfs/dbraw/zinc/84/00/18/930840018.db2.gz ZQTCQNBNYRZEOK-ZDUSSCGKSA-N 2 2 293.415 0.452 20 0 CCADLP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)Cc1ccn(C)n1 ZINC001448152229 930840027 /nfs/dbraw/zinc/84/00/27/930840027.db2.gz ZQTCQNBNYRZEOK-ZDUSSCGKSA-N 2 2 293.415 0.452 20 0 CCADLP CCC[NH+]1CC(CCO)(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001448199151 930851581 /nfs/dbraw/zinc/85/15/81/930851581.db2.gz HGTJVUFRTDKRJP-KBPBESRZSA-N 2 2 297.443 0.822 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@@H]2CC[N@@H+]2CCCO)c[nH+]1 ZINC001375318312 930852395 /nfs/dbraw/zinc/85/23/95/930852395.db2.gz HKGGYEDXLOQWOG-ZDUSSCGKSA-N 2 2 294.399 0.500 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@@H]2CC[N@H+]2CCCO)c[nH+]1 ZINC001375318312 930852401 /nfs/dbraw/zinc/85/24/01/930852401.db2.gz HKGGYEDXLOQWOG-ZDUSSCGKSA-N 2 2 294.399 0.500 20 0 CCADLP O=C(NCC1([NH2+]CCF)CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001375437065 930885563 /nfs/dbraw/zinc/88/55/63/930885563.db2.gz JIFQZGFIVPGIMR-NSHDSACASA-N 2 2 280.347 0.653 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1c[nH+]cn1C ZINC001448602550 930922154 /nfs/dbraw/zinc/92/21/54/930922154.db2.gz JKSZYLSMCNHSQJ-RISCZKNCSA-N 2 2 294.399 0.170 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@H](C1CC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001448601898 930923409 /nfs/dbraw/zinc/92/34/09/930923409.db2.gz JGANQCXWPDASPG-TZMCWYRMSA-N 2 2 294.399 0.745 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1nncs1 ZINC001448760924 930973806 /nfs/dbraw/zinc/97/38/06/930973806.db2.gz GPMZRHMAUSBSLO-LLVKDONJSA-N 2 2 299.444 0.816 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1nncs1 ZINC001448760924 930973812 /nfs/dbraw/zinc/97/38/12/930973812.db2.gz GPMZRHMAUSBSLO-LLVKDONJSA-N 2 2 299.444 0.816 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N[C@]2(C)CC[NH+](CCF)C2)C1 ZINC001375844443 930989870 /nfs/dbraw/zinc/98/98/70/930989870.db2.gz PMYXQSOEOUHVOV-GXTWGEPZSA-N 2 2 271.380 0.878 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@]2(C)CC[NH+](CCF)C2)C1 ZINC001375844443 930989878 /nfs/dbraw/zinc/98/98/78/930989878.db2.gz PMYXQSOEOUHVOV-GXTWGEPZSA-N 2 2 271.380 0.878 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)N[C@]2(C)CC[N@H+](CCF)C2)C1 ZINC001375844443 930989884 /nfs/dbraw/zinc/98/98/84/930989884.db2.gz PMYXQSOEOUHVOV-GXTWGEPZSA-N 2 2 271.380 0.878 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)N[C@]2(C)CC[N@@H+](CCF)C2)C1 ZINC001375844443 930989891 /nfs/dbraw/zinc/98/98/91/930989891.db2.gz PMYXQSOEOUHVOV-GXTWGEPZSA-N 2 2 271.380 0.878 20 0 CCADLP C[C@]1(CNC(=O)CCn2cc[nH+]c2)CCC[N@H+](CCO)C1 ZINC001375947534 931004614 /nfs/dbraw/zinc/00/46/14/931004614.db2.gz CKHKARHLEGSTOI-OAHLLOKOSA-N 2 2 294.399 0.484 20 0 CCADLP C[C@]1(CNC(=O)CCn2cc[nH+]c2)CCC[N@@H+](CCO)C1 ZINC001375947534 931004623 /nfs/dbraw/zinc/00/46/23/931004623.db2.gz CKHKARHLEGSTOI-OAHLLOKOSA-N 2 2 294.399 0.484 20 0 CCADLP CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001449212395 931103580 /nfs/dbraw/zinc/10/35/80/931103580.db2.gz HEMZMTKPEZPSFQ-YNEHKIRRSA-N 2 2 294.399 0.674 20 0 CCADLP CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001449212395 931103589 /nfs/dbraw/zinc/10/35/89/931103589.db2.gz HEMZMTKPEZPSFQ-YNEHKIRRSA-N 2 2 294.399 0.674 20 0 CCADLP CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001449212395 931103593 /nfs/dbraw/zinc/10/35/93/931103593.db2.gz HEMZMTKPEZPSFQ-YNEHKIRRSA-N 2 2 294.399 0.674 20 0 CCADLP CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001449212395 931103595 /nfs/dbraw/zinc/10/35/95/931103595.db2.gz HEMZMTKPEZPSFQ-YNEHKIRRSA-N 2 2 294.399 0.674 20 0 CCADLP CC[C@@H](C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)OC ZINC001376344410 931127901 /nfs/dbraw/zinc/12/79/01/931127901.db2.gz KPYKYPJJMLOWQQ-RYUDHWBXSA-N 2 2 280.372 0.568 20 0 CCADLP CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001376411011 931143944 /nfs/dbraw/zinc/14/39/44/931143944.db2.gz RRWYYMDLVLPEGC-IJLUTSLNSA-N 2 2 282.363 0.948 20 0 CCADLP CO[C@H](C)C[N@@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001376540727 931177515 /nfs/dbraw/zinc/17/75/15/931177515.db2.gz YPXGGKFGMISJMN-KGLIPLIRSA-N 2 2 294.399 0.746 20 0 CCADLP CO[C@H](C)C[N@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001376540727 931177522 /nfs/dbraw/zinc/17/75/22/931177522.db2.gz YPXGGKFGMISJMN-KGLIPLIRSA-N 2 2 294.399 0.746 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CCCC[N@H+]1CCO ZINC001376585773 931187670 /nfs/dbraw/zinc/18/76/70/931187670.db2.gz SAWREYRJPATONE-ZDUSSCGKSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CCCC[N@@H+]1CCO ZINC001376585773 931187675 /nfs/dbraw/zinc/18/76/75/931187675.db2.gz SAWREYRJPATONE-ZDUSSCGKSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CCCC[N@H+]1CCO ZINC001376585773 931187681 /nfs/dbraw/zinc/18/76/81/931187681.db2.gz SAWREYRJPATONE-ZDUSSCGKSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CCCC[N@@H+]1CCO ZINC001376585773 931187687 /nfs/dbraw/zinc/18/76/87/931187687.db2.gz SAWREYRJPATONE-ZDUSSCGKSA-N 2 2 280.372 0.305 20 0 CCADLP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1nnc(C)o1 ZINC001376839978 931299763 /nfs/dbraw/zinc/29/97/63/931299763.db2.gz KDVSWIVVDQWNAH-MNOVXSKESA-N 2 2 297.403 0.875 20 0 CCADLP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1nnc(C)o1 ZINC001376839978 931299772 /nfs/dbraw/zinc/29/97/72/931299772.db2.gz KDVSWIVVDQWNAH-MNOVXSKESA-N 2 2 297.403 0.875 20 0 CCADLP C[C@@H](CCNC(=O)c1cccc2[nH+]ccn21)[NH2+]CCO ZINC001377043622 931365398 /nfs/dbraw/zinc/36/53/98/931365398.db2.gz MKFRLHMYXPLZHS-NSHDSACASA-N 2 2 276.340 0.425 20 0 CCADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CO2 ZINC001377072090 931373915 /nfs/dbraw/zinc/37/39/15/931373915.db2.gz CWDPVBDWWPGNBN-CHWSQXEVSA-N 2 2 283.416 0.552 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[C@H](C)[NH2+]Cc1cnon1 ZINC001377111181 931383712 /nfs/dbraw/zinc/38/37/12/931383712.db2.gz QLIFSBXCQRBKDJ-JTQLQIEISA-N 2 2 292.343 0.259 20 0 CCADLP C[C@H](CC[NH2+]C1CC[NH+](CC(=O)[O-])CC1)[NH+](C)C ZINC001592519602 978363568 /nfs/dbraw/zinc/36/35/68/978363568.db2.gz JCVHVZNHJAXYIE-LLVKDONJSA-N 2 2 257.378 0.465 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C(C1CC1)C1CC1 ZINC000093169017 349528387 /nfs/dbraw/zinc/52/83/87/349528387.db2.gz MCWNFWBTHNTNDV-UHFFFAOYSA-N 2 2 265.401 0.881 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C(C1CC1)C1CC1 ZINC000093169017 349528393 /nfs/dbraw/zinc/52/83/93/349528393.db2.gz MCWNFWBTHNTNDV-UHFFFAOYSA-N 2 2 265.401 0.881 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)NCC[NH+]1CCC1 ZINC000337630143 214188542 /nfs/dbraw/zinc/18/85/42/214188542.db2.gz MGFHSOFYVRIGQN-UHFFFAOYSA-N 2 2 265.361 0.587 20 0 CCADLP CCC1(CO)CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000093256559 349533615 /nfs/dbraw/zinc/53/36/15/349533615.db2.gz SYEYIHLEBFAYIY-UHFFFAOYSA-N 2 2 283.416 0.245 20 0 CCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cncc(O)c1 ZINC000617507309 365664080 /nfs/dbraw/zinc/66/40/80/365664080.db2.gz RFIHOGGSRHTMTH-LBPRGKRZSA-N 2 2 294.399 0.789 20 0 CCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cncc(O)c1 ZINC000617507309 365664082 /nfs/dbraw/zinc/66/40/82/365664082.db2.gz RFIHOGGSRHTMTH-LBPRGKRZSA-N 2 2 294.399 0.789 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@H](O)C2)CC1 ZINC000093333917 349539549 /nfs/dbraw/zinc/53/95/49/349539549.db2.gz WLTULCWTLXHPPA-MELADBBJSA-N 2 2 283.416 0.242 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@H](O)C2)CC1 ZINC000093333917 349539551 /nfs/dbraw/zinc/53/95/51/349539551.db2.gz WLTULCWTLXHPPA-MELADBBJSA-N 2 2 283.416 0.242 20 0 CCADLP CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C[NH3+])C1 ZINC000093697604 349551297 /nfs/dbraw/zinc/55/12/97/349551297.db2.gz ZHZJGSUYTICJDC-QWHCGFSZSA-N 2 2 289.445 0.471 20 0 CCADLP CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C[NH3+])C1 ZINC000093697604 349551299 /nfs/dbraw/zinc/55/12/99/349551299.db2.gz ZHZJGSUYTICJDC-QWHCGFSZSA-N 2 2 289.445 0.471 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)NCCOc2ccccc2)CC[C@@H]1[NH3+] ZINC000094342195 349568446 /nfs/dbraw/zinc/56/84/46/349568446.db2.gz HJHKNZHSZDUMMK-ZFWWWQNUSA-N 2 2 291.395 0.851 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)NCCOc2ccccc2)CC[C@@H]1[NH3+] ZINC000094342195 349568451 /nfs/dbraw/zinc/56/84/51/349568451.db2.gz HJHKNZHSZDUMMK-ZFWWWQNUSA-N 2 2 291.395 0.851 20 0 CCADLP [NH3+]CCCOC1CC[NH+](CC(=O)NCC(F)(F)F)CC1 ZINC000094072229 349560202 /nfs/dbraw/zinc/56/02/02/349560202.db2.gz BJQPGMWXHLQOMD-UHFFFAOYSA-N 2 2 297.321 0.495 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@H]2CSC[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000423873120 529377871 /nfs/dbraw/zinc/37/78/71/529377871.db2.gz LAUCXLFKPPVJKO-UPJWGTAASA-N 2 2 299.440 0.218 20 0 CCADLP CCOC(=O)c1cccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)n1 ZINC000600152604 361878117 /nfs/dbraw/zinc/87/81/17/361878117.db2.gz UERBPASZJBKSQP-OAHLLOKOSA-N 2 2 293.367 0.415 20 0 CCADLP CCOC(=O)c1cccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)n1 ZINC000600152604 361878122 /nfs/dbraw/zinc/87/81/22/361878122.db2.gz UERBPASZJBKSQP-OAHLLOKOSA-N 2 2 293.367 0.415 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@H]2CCC[NH2+]2)CCO1 ZINC000418368896 529391791 /nfs/dbraw/zinc/39/17/91/529391791.db2.gz NBPMRDLWKABXQI-CHWSQXEVSA-N 2 2 284.404 0.148 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@H]2CCC[NH2+]2)CCO1 ZINC000418368896 529391793 /nfs/dbraw/zinc/39/17/93/529391793.db2.gz NBPMRDLWKABXQI-CHWSQXEVSA-N 2 2 284.404 0.148 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@@H]([NH3+])C(C)C)CCO1 ZINC000418416733 529391901 /nfs/dbraw/zinc/39/19/01/529391901.db2.gz VXJZGOCGBCIAME-CHWSQXEVSA-N 2 2 286.420 0.380 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H]([NH3+])C(C)C)CCO1 ZINC000418416733 529391904 /nfs/dbraw/zinc/39/19/04/529391904.db2.gz VXJZGOCGBCIAME-CHWSQXEVSA-N 2 2 286.420 0.380 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@H]([NH3+])C(C)C)CCO1 ZINC000418416734 529392102 /nfs/dbraw/zinc/39/21/02/529392102.db2.gz VXJZGOCGBCIAME-OLZOCXBDSA-N 2 2 286.420 0.380 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@H]([NH3+])C(C)C)CCO1 ZINC000418416734 529392104 /nfs/dbraw/zinc/39/21/04/529392104.db2.gz VXJZGOCGBCIAME-OLZOCXBDSA-N 2 2 286.420 0.380 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CSC2(C)C)[C@H](C[NH3+])C1 ZINC000518940406 290016326 /nfs/dbraw/zinc/01/63/26/290016326.db2.gz JUALUNBDAKBLFX-NXEZZACHSA-N 2 2 272.418 0.165 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CSC2(C)C)[C@H](C[NH3+])C1 ZINC000518940406 290016328 /nfs/dbraw/zinc/01/63/28/290016328.db2.gz JUALUNBDAKBLFX-NXEZZACHSA-N 2 2 272.418 0.165 20 0 CCADLP C[NH+](C)[C@@H](C[NH2+][C@@H]1CCC(=O)NC1(C)C)C1CC1 ZINC000494888907 282180992 /nfs/dbraw/zinc/18/09/92/282180992.db2.gz JJTCUWCHVPELOW-NWDGAFQWSA-N 2 2 253.390 0.973 20 0 CCADLP CC[N@H+](CCNC(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000101972254 349673140 /nfs/dbraw/zinc/67/31/40/349673140.db2.gz IAEZHHRNVPESEI-UHFFFAOYSA-N 2 2 265.361 0.667 20 0 CCADLP CC[N@@H+](CCNC(=O)NCCn1cc[nH+]c1)C1CC1 ZINC000101972254 349673146 /nfs/dbraw/zinc/67/31/46/349673146.db2.gz IAEZHHRNVPESEI-UHFFFAOYSA-N 2 2 265.361 0.667 20 0 CCADLP CC[C@H](C(=O)NCCn1cc[nH+]c1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000448695645 529607573 /nfs/dbraw/zinc/60/75/73/529607573.db2.gz ZGFZSOLDHZIODK-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP CC[C@H](C(=O)NCCn1cc[nH+]c1)[N@H+]1CCO[C@@H](CC)C1 ZINC000448695645 529607577 /nfs/dbraw/zinc/60/75/77/529607577.db2.gz ZGFZSOLDHZIODK-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP COC(=O)CCn1nc(C)c(C[NH2+][C@@H]2CC[NH2+][C@H]2C)c1C ZINC000600682852 362033647 /nfs/dbraw/zinc/03/36/47/362033647.db2.gz QTMKVDXKPABTFQ-SMDDNHRTSA-N 2 2 294.399 0.903 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600728173 362046981 /nfs/dbraw/zinc/04/69/81/362046981.db2.gz SDQOTCJQOUHLQM-CSMHCCOUSA-N 2 2 296.293 0.029 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600728173 362046985 /nfs/dbraw/zinc/04/69/85/362046985.db2.gz SDQOTCJQOUHLQM-CSMHCCOUSA-N 2 2 296.293 0.029 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C[NH+]2CC(C)(C)C2)[C@@H](C)CO1 ZINC000617723195 365728524 /nfs/dbraw/zinc/72/85/24/365728524.db2.gz JYRHPULUYUATJM-QWHCGFSZSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C[NH+]2CC(C)(C)C2)[C@@H](C)CO1 ZINC000617723195 365728529 /nfs/dbraw/zinc/72/85/29/365728529.db2.gz JYRHPULUYUATJM-QWHCGFSZSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+]2C[C@H](C)OC[C@H]2C)C1 ZINC000617724038 365732031 /nfs/dbraw/zinc/73/20/31/365732031.db2.gz UZDLPXSLERXXPV-MCIONIFRSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+]2C[C@H](C)OC[C@H]2C)C1 ZINC000617724038 365732035 /nfs/dbraw/zinc/73/20/35/365732035.db2.gz UZDLPXSLERXXPV-MCIONIFRSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+]2C[C@H](C)OC[C@H]2C)C1 ZINC000617724038 365732036 /nfs/dbraw/zinc/73/20/36/365732036.db2.gz UZDLPXSLERXXPV-MCIONIFRSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@H+]2C[C@H](C)OC[C@H]2C)C1 ZINC000617724038 365732039 /nfs/dbraw/zinc/73/20/39/365732039.db2.gz UZDLPXSLERXXPV-MCIONIFRSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)[NH+](C)C ZINC000617730162 365740502 /nfs/dbraw/zinc/74/05/02/365740502.db2.gz KAOVTCQLXSVDHI-BFHYXJOUSA-N 2 2 285.432 0.798 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)[NH+](C)C ZINC000617730162 365740504 /nfs/dbraw/zinc/74/05/04/365740504.db2.gz KAOVTCQLXSVDHI-BFHYXJOUSA-N 2 2 285.432 0.798 20 0 CCADLP CC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000456538855 529699468 /nfs/dbraw/zinc/69/94/68/529699468.db2.gz XOSIOWSCHYGXRJ-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000456538855 529699471 /nfs/dbraw/zinc/69/94/71/529699471.db2.gz XOSIOWSCHYGXRJ-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000601297618 362208442 /nfs/dbraw/zinc/20/84/42/362208442.db2.gz BFYALQZWRSCLGD-QWRGUYRKSA-N 2 2 297.399 0.269 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH+]1C[C@@H](C)OC[C@H]1C ZINC000617734062 365745323 /nfs/dbraw/zinc/74/53/23/365745323.db2.gz ZQONHSCOKKMIHY-CHWSQXEVSA-N 2 2 271.405 0.554 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH+]1C[C@@H](C)OC[C@H]1C ZINC000617734062 365745328 /nfs/dbraw/zinc/74/53/28/365745328.db2.gz ZQONHSCOKKMIHY-CHWSQXEVSA-N 2 2 271.405 0.554 20 0 CCADLP CCC[NH+](C)CC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000617734062 365745335 /nfs/dbraw/zinc/74/53/35/365745335.db2.gz ZQONHSCOKKMIHY-CHWSQXEVSA-N 2 2 271.405 0.554 20 0 CCADLP CCC[NH+](C)CC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000617734062 365745339 /nfs/dbraw/zinc/74/53/39/365745339.db2.gz ZQONHSCOKKMIHY-CHWSQXEVSA-N 2 2 271.405 0.554 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000288066978 136396926 /nfs/dbraw/zinc/39/69/26/136396926.db2.gz QMUPALIFPVAIAJ-ZDUSSCGKSA-N 2 2 291.399 0.863 20 0 CCADLP CO[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)C(C)C ZINC000617764740 365768656 /nfs/dbraw/zinc/76/86/56/365768656.db2.gz DSDNOPZIFOTRBY-ZDUSSCGKSA-N 2 2 273.421 0.657 20 0 CCADLP CO[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C(C)C ZINC000617764740 365768661 /nfs/dbraw/zinc/76/86/61/365768661.db2.gz DSDNOPZIFOTRBY-ZDUSSCGKSA-N 2 2 273.421 0.657 20 0 CCADLP Cc1ccn(C)c1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765012 365769592 /nfs/dbraw/zinc/76/95/92/365769592.db2.gz PYAYFTKWLMZFEN-UHFFFAOYSA-N 2 2 280.416 0.947 20 0 CCADLP Cc1ccn(C)c1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765012 365769596 /nfs/dbraw/zinc/76/95/96/365769596.db2.gz PYAYFTKWLMZFEN-UHFFFAOYSA-N 2 2 280.416 0.947 20 0 CCADLP C[C@H]([NH3+])c1ccc(C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000573486099 334941332 /nfs/dbraw/zinc/94/13/32/334941332.db2.gz XDSGEXANRUTJHC-LBPRGKRZSA-N 2 2 277.368 0.456 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000114478215 349833294 /nfs/dbraw/zinc/83/32/94/349833294.db2.gz AHPKYQQLVCTLAB-HUUCEWRRSA-N 3 2 296.459 0.423 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](C[NH+](C)C)C2)CC1 ZINC000114478215 349833298 /nfs/dbraw/zinc/83/32/98/349833298.db2.gz AHPKYQQLVCTLAB-HUUCEWRRSA-N 3 2 296.459 0.423 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@H](O)CC2)n1C ZINC000425340319 529807298 /nfs/dbraw/zinc/80/72/98/529807298.db2.gz AGWWHTAYGCKUPK-LBPRGKRZSA-N 2 2 252.362 0.833 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@H](O)CC2)n1C ZINC000425340319 529807299 /nfs/dbraw/zinc/80/72/99/529807299.db2.gz AGWWHTAYGCKUPK-LBPRGKRZSA-N 2 2 252.362 0.833 20 0 CCADLP CC(C)(CNC(=O)C1(C[NH3+])CCCC1)[NH+]1CCOCC1 ZINC000128014530 187346815 /nfs/dbraw/zinc/34/68/15/187346815.db2.gz ZIUMSNRJZDEFBR-UHFFFAOYSA-N 2 2 283.416 0.733 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000423746342 529911478 /nfs/dbraw/zinc/91/14/78/529911478.db2.gz QYFXHAMBAQHRPY-HNNXBMFYSA-N 2 2 291.395 0.520 20 0 CCADLP CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425358414 529925175 /nfs/dbraw/zinc/92/51/75/529925175.db2.gz QTDBDZUJUYLPCG-RYUDHWBXSA-N 2 2 279.388 0.490 20 0 CCADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)N=c1ccn(CC[NH+](C)C)[nH]1 ZINC000449341451 530041850 /nfs/dbraw/zinc/04/18/50/530041850.db2.gz UAHDODNSDSEUHT-LBPRGKRZSA-N 2 2 295.431 0.829 20 0 CCADLP C[N@@H+]1CCN(C(=O)/C=C\c2ccccc2)[C@H](C[NH3+])C1 ZINC000311247320 530066108 /nfs/dbraw/zinc/06/61/08/530066108.db2.gz GIKBYGRPIKEIDX-WBTMPAOCSA-N 2 2 259.353 0.801 20 0 CCADLP C[N@H+]1CCN(C(=O)/C=C\c2ccccc2)[C@H](C[NH3+])C1 ZINC000311247320 530066109 /nfs/dbraw/zinc/06/61/09/530066109.db2.gz GIKBYGRPIKEIDX-WBTMPAOCSA-N 2 2 259.353 0.801 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](CCC(=O)Nc2ccc(F)cc2)CCO1 ZINC000358137226 232047862 /nfs/dbraw/zinc/04/78/62/232047862.db2.gz NXQSRDNCIURWMA-ZDUSSCGKSA-N 2 2 281.331 0.814 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(F)cc2)CCO1 ZINC000358137226 232047864 /nfs/dbraw/zinc/04/78/64/232047864.db2.gz NXQSRDNCIURWMA-ZDUSSCGKSA-N 2 2 281.331 0.814 20 0 CCADLP COc1ccc(OC)c(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1 ZINC000358161214 232053613 /nfs/dbraw/zinc/05/36/13/232053613.db2.gz DVWIJHKGGUNSAF-OAHLLOKOSA-N 2 2 280.368 0.860 20 0 CCADLP COc1ccc(OC)c(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000358161214 232053615 /nfs/dbraw/zinc/05/36/15/232053615.db2.gz DVWIJHKGGUNSAF-OAHLLOKOSA-N 2 2 280.368 0.860 20 0 CCADLP Cc1cc(NC[C@]2(O)CC[N@H+](C)C2)nc(C(C)C)[nH+]1 ZINC000358330821 232082134 /nfs/dbraw/zinc/08/21/34/232082134.db2.gz FYJPXFBZZUYGMJ-CQSZACIVSA-N 2 2 264.373 0.809 20 0 CCADLP Cc1cc(NC[C@]2(O)CC[N@@H+](C)C2)nc(C(C)C)[nH+]1 ZINC000358330821 232082135 /nfs/dbraw/zinc/08/21/35/232082135.db2.gz FYJPXFBZZUYGMJ-CQSZACIVSA-N 2 2 264.373 0.809 20 0 CCADLP CCN(C#N)CCN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000602799921 362808282 /nfs/dbraw/zinc/80/82/82/362808282.db2.gz RXRWJWWJVWEBDC-UHFFFAOYSA-N 2 2 281.448 0.747 20 0 CCADLP CCN(C#N)CCN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000602799921 362808286 /nfs/dbraw/zinc/80/82/86/362808286.db2.gz RXRWJWWJVWEBDC-UHFFFAOYSA-N 2 2 281.448 0.747 20 0 CCADLP CCN(C#N)CC[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000602799921 362808289 /nfs/dbraw/zinc/80/82/89/362808289.db2.gz RXRWJWWJVWEBDC-UHFFFAOYSA-N 2 2 281.448 0.747 20 0 CCADLP CCN(C#N)CC[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000602799921 362808291 /nfs/dbraw/zinc/80/82/91/362808291.db2.gz RXRWJWWJVWEBDC-UHFFFAOYSA-N 2 2 281.448 0.747 20 0 CCADLP Cc1noc(C)c1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000257679610 137005096 /nfs/dbraw/zinc/00/50/96/137005096.db2.gz GPZAMCMCVHCHLU-ZDUSSCGKSA-N 2 2 264.373 0.771 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCCCC1 ZINC000261555917 137007994 /nfs/dbraw/zinc/00/79/94/137007994.db2.gz BSKWQHSYFGPASU-STQMWFEESA-N 2 2 251.374 0.683 20 0 CCADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCCCC1 ZINC000261555917 137007995 /nfs/dbraw/zinc/00/79/95/137007995.db2.gz BSKWQHSYFGPASU-STQMWFEESA-N 2 2 251.374 0.683 20 0 CCADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)NC1CCCC1 ZINC000261588707 137010902 /nfs/dbraw/zinc/01/09/02/137010902.db2.gz VWLYCYSBFRLCEJ-DGCLKSJQSA-N 2 2 251.374 0.729 20 0 CCADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)NC1CCCC1 ZINC000261588707 137010903 /nfs/dbraw/zinc/01/09/03/137010903.db2.gz VWLYCYSBFRLCEJ-DGCLKSJQSA-N 2 2 251.374 0.729 20 0 CCADLP Cn1cc(N2CC[C@H]([N@@H+]3CC[C@](C)(C[NH3+])C3)C2=O)cn1 ZINC000261606502 137011789 /nfs/dbraw/zinc/01/17/89/137011789.db2.gz ARITZKJVRYXIPP-GXTWGEPZSA-N 2 2 277.372 0.196 20 0 CCADLP Cn1cc(N2CC[C@H]([N@H+]3CC[C@](C)(C[NH3+])C3)C2=O)cn1 ZINC000261606502 137011790 /nfs/dbraw/zinc/01/17/90/137011790.db2.gz ARITZKJVRYXIPP-GXTWGEPZSA-N 2 2 277.372 0.196 20 0 CCADLP CCCN(CCC)C(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261655380 137014374 /nfs/dbraw/zinc/01/43/74/137014374.db2.gz KDCNBFIINVTKCX-HNNXBMFYSA-N 2 2 296.459 0.615 20 0 CCADLP NC(=O)c1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261660943 137014432 /nfs/dbraw/zinc/01/44/32/137014432.db2.gz ZFISWXSJYNOPER-KGLIPLIRSA-N 2 2 259.353 0.969 20 0 CCADLP NC(=O)c1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261660943 137014433 /nfs/dbraw/zinc/01/44/33/137014433.db2.gz ZFISWXSJYNOPER-KGLIPLIRSA-N 2 2 259.353 0.969 20 0 CCADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)NCc1ccccc1F ZINC000261685031 137015548 /nfs/dbraw/zinc/01/55/48/137015548.db2.gz MVEQQVVDYXMQMD-GXTWGEPZSA-N 2 2 291.370 0.983 20 0 CCADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)NCc1ccccc1F ZINC000261685031 137015549 /nfs/dbraw/zinc/01/55/49/137015549.db2.gz MVEQQVVDYXMQMD-GXTWGEPZSA-N 2 2 291.370 0.983 20 0 CCADLP Cc1ncccc1C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261665313 137014881 /nfs/dbraw/zinc/01/48/81/137014881.db2.gz ZMPUVAKRYIIKNB-UHFFFAOYSA-N 2 2 262.357 0.254 20 0 CCADLP Cc1ncccc1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000261665313 137014882 /nfs/dbraw/zinc/01/48/82/137014882.db2.gz ZMPUVAKRYIIKNB-UHFFFAOYSA-N 2 2 262.357 0.254 20 0 CCADLP C[NH2+]CCC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000262356952 137039595 /nfs/dbraw/zinc/03/95/95/137039595.db2.gz JUVUBZIRFDSCOY-UHFFFAOYSA-N 2 2 278.356 0.144 20 0 CCADLP C[NH2+]CC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000262364575 137040137 /nfs/dbraw/zinc/04/01/37/137040137.db2.gz VZPZBICORRPQQY-LLVKDONJSA-N 2 2 250.346 0.421 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000262498173 137045312 /nfs/dbraw/zinc/04/53/12/137045312.db2.gz XIEVNCQWENKMPE-LLVKDONJSA-N 2 2 273.340 0.995 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000262674198 137050251 /nfs/dbraw/zinc/05/02/51/137050251.db2.gz QKBKTAXELGOVFP-JQWIXIFHSA-N 2 2 262.357 0.891 20 0 CCADLP c1cc(CNC2=[NH+]CCCN2)cc(C[NH+]2CCOCC2)c1 ZINC000261701409 137016037 /nfs/dbraw/zinc/01/60/37/137016037.db2.gz COBFWDRMPPQHDC-UHFFFAOYSA-N 2 2 288.395 0.958 20 0 CCADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000261767999 137019129 /nfs/dbraw/zinc/01/91/29/137019129.db2.gz MDCHBRAWDPAPCB-SNVBAGLBSA-N 2 2 296.293 0.045 20 0 CCADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000261767999 137019130 /nfs/dbraw/zinc/01/91/30/137019130.db2.gz MDCHBRAWDPAPCB-SNVBAGLBSA-N 2 2 296.293 0.045 20 0 CCADLP C[C@@H]([NH3+])C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000261814417 137020887 /nfs/dbraw/zinc/02/08/87/137020887.db2.gz MCSDIRDOBGSYEQ-NXEZZACHSA-N 2 2 264.373 0.959 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)C3([NH3+])CCOCC3)cn2c1 ZINC000261871171 137023257 /nfs/dbraw/zinc/02/32/57/137023257.db2.gz OBNRZAJUWFMTIX-UHFFFAOYSA-N 2 2 288.351 0.767 20 0 CCADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)NCc2cccnc2)C1 ZINC000261910026 137025720 /nfs/dbraw/zinc/02/57/20/137025720.db2.gz XLTMREHJXVXIFJ-CQSZACIVSA-N 2 2 262.357 0.369 20 0 CCADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)NCc2cccnc2)C1 ZINC000261910026 137025721 /nfs/dbraw/zinc/02/57/21/137025721.db2.gz XLTMREHJXVXIFJ-CQSZACIVSA-N 2 2 262.357 0.369 20 0 CCADLP C[C@H]1C[N@H+](Cc2ccccc2OCC(=O)N(C)C)C[C@H]1[NH3+] ZINC000262009272 137028493 /nfs/dbraw/zinc/02/84/93/137028493.db2.gz MENZLLXMZTZDLE-GXTWGEPZSA-N 2 2 291.395 0.933 20 0 CCADLP C[C@H]1C[N@@H+](Cc2ccccc2OCC(=O)N(C)C)C[C@H]1[NH3+] ZINC000262009272 137028494 /nfs/dbraw/zinc/02/84/94/137028494.db2.gz MENZLLXMZTZDLE-GXTWGEPZSA-N 2 2 291.395 0.933 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000262160844 137029068 /nfs/dbraw/zinc/02/90/68/137029068.db2.gz UWHGTARUAXJROM-DGCLKSJQSA-N 2 2 257.378 0.341 20 0 CCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263184096 137059400 /nfs/dbraw/zinc/05/94/00/137059400.db2.gz HBOUQQRISAGCED-NXEZZACHSA-N 2 2 263.332 0.830 20 0 CCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263184096 137059401 /nfs/dbraw/zinc/05/94/01/137059401.db2.gz HBOUQQRISAGCED-NXEZZACHSA-N 2 2 263.332 0.830 20 0 CCADLP C[C@@H](C(=O)NCc1cn2c([nH+]1)CCCC2)C1C[NH2+]C1 ZINC000262318556 137037674 /nfs/dbraw/zinc/03/76/74/137037674.db2.gz DVXMTQFGDUNLRZ-SNVBAGLBSA-N 2 2 262.357 0.691 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC[C@@H](O)C2)CC1 ZINC000305147580 137070198 /nfs/dbraw/zinc/07/01/98/137070198.db2.gz YWPUPYFQMCYONI-CQSZACIVSA-N 2 2 298.431 0.179 20 0 CCADLP CC(C)(CNC(=O)[C@H]([NH3+])CC(F)F)[NH+]1CCOCC1 ZINC000311357337 137074800 /nfs/dbraw/zinc/07/48/00/137074800.db2.gz DRCPJVRLNHUTBL-SECBINFHSA-N 2 2 279.331 0.196 20 0 CCADLP [NH3+]CC[N@H+](CCO)CCC(=O)N1CCc2sccc2C1 ZINC000342391572 137090921 /nfs/dbraw/zinc/09/09/21/137090921.db2.gz RNMQADDDUVXHFZ-UHFFFAOYSA-N 2 2 297.424 0.276 20 0 CCADLP [NH3+]CC[N@@H+](CCO)CCC(=O)N1CCc2sccc2C1 ZINC000342391572 137090922 /nfs/dbraw/zinc/09/09/22/137090922.db2.gz RNMQADDDUVXHFZ-UHFFFAOYSA-N 2 2 297.424 0.276 20 0 CCADLP [NH3+]CC[N@H+](CCO)CCCc1nc(-c2cccs2)no1 ZINC000342404038 137091646 /nfs/dbraw/zinc/09/16/46/137091646.db2.gz VYBKELMHFHVDBZ-UHFFFAOYSA-N 2 2 296.396 0.984 20 0 CCADLP [NH3+]CC[N@@H+](CCO)CCCc1nc(-c2cccs2)no1 ZINC000342404038 137091647 /nfs/dbraw/zinc/09/16/47/137091647.db2.gz VYBKELMHFHVDBZ-UHFFFAOYSA-N 2 2 296.396 0.984 20 0 CCADLP CC[N@@H+]1CCN(c2cc[nH+]c(N3CCOCC3)n2)[C@@H](C)C1 ZINC000343265961 137123285 /nfs/dbraw/zinc/12/32/85/137123285.db2.gz PPKLEVHYSQJRLD-ZDUSSCGKSA-N 2 2 291.399 0.844 20 0 CCADLP CC[N@H+]1CCN(c2cc[nH+]c(N3CCOCC3)n2)[C@@H](C)C1 ZINC000343265961 137123286 /nfs/dbraw/zinc/12/32/86/137123286.db2.gz PPKLEVHYSQJRLD-ZDUSSCGKSA-N 2 2 291.399 0.844 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000343482316 137137760 /nfs/dbraw/zinc/13/77/60/137137760.db2.gz WBHUDKCTMCPAGL-RDBSUJKOSA-N 2 2 282.432 0.127 20 0 CCADLP Cn1nccc1[C@@H]1[C@@H]([NH2+]Cc2c[nH+]c[nH]2)CC(=O)N1C ZINC000343486647 137137975 /nfs/dbraw/zinc/13/79/75/137137975.db2.gz ZAXDXIVWEBQLLM-GWCFXTLKSA-N 2 2 274.328 0.205 20 0 CCADLP CC[C@]1(C(=O)NCC[N@@H+]2CCOC[C@H]2C)CCC[NH2+]1 ZINC000343779266 137157109 /nfs/dbraw/zinc/15/71/09/137157109.db2.gz ZRGHPXNEDKVIGO-TZMCWYRMSA-N 2 2 269.389 0.356 20 0 CCADLP CC[C@]1(C(=O)NCC[N@H+]2CCOC[C@H]2C)CCC[NH2+]1 ZINC000343779266 137157110 /nfs/dbraw/zinc/15/71/10/137157110.db2.gz ZRGHPXNEDKVIGO-TZMCWYRMSA-N 2 2 269.389 0.356 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1cccnc1N1CCOCC1 ZINC000343292334 137125464 /nfs/dbraw/zinc/12/54/64/137125464.db2.gz TUBPCYIFOFKQTD-ZFWWWQNUSA-N 2 2 290.411 0.958 20 0 CCADLP O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)[C@H]1CCC[NH+]1C1CC1 ZINC000343327726 137128151 /nfs/dbraw/zinc/12/81/51/137128151.db2.gz BJWCTJZLHHCCLK-HUUCEWRRSA-N 2 2 293.411 0.593 20 0 CCADLP O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)[C@H]1CCC[NH+]1C1CC1 ZINC000343327726 137128152 /nfs/dbraw/zinc/12/81/52/137128152.db2.gz BJWCTJZLHHCCLK-HUUCEWRRSA-N 2 2 293.411 0.593 20 0 CCADLP O=C(NC[C@@H]1C[NH+](C2CC2)CCO1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000343327726 137128153 /nfs/dbraw/zinc/12/81/53/137128153.db2.gz BJWCTJZLHHCCLK-HUUCEWRRSA-N 2 2 293.411 0.593 20 0 CCADLP O=C(NC[C@@H]1C[NH+](C2CC2)CCO1)[C@H]1CCC[N@H+]1C1CC1 ZINC000343327726 137128154 /nfs/dbraw/zinc/12/81/54/137128154.db2.gz BJWCTJZLHHCCLK-HUUCEWRRSA-N 2 2 293.411 0.593 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCN1CCCCC1=O ZINC000344270751 137186727 /nfs/dbraw/zinc/18/67/27/137186727.db2.gz FKNCBSRXGCJYLX-OLZOCXBDSA-N 2 2 253.390 0.929 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCN1CCCCC1=O ZINC000344270751 137186728 /nfs/dbraw/zinc/18/67/28/137186728.db2.gz FKNCBSRXGCJYLX-OLZOCXBDSA-N 2 2 253.390 0.929 20 0 CCADLP Nc1ccc[nH+]c1N1CCN(c2[nH+]cccc2N)CC1 ZINC000001730335 347961539 /nfs/dbraw/zinc/96/15/39/347961539.db2.gz QGZBGKGBQMZLFW-UHFFFAOYSA-N 2 2 270.340 0.968 20 0 CCADLP C[C@H]1OCC[NH2+][C@H]1C(=O)NCCCNc1cccc[nH+]1 ZINC000344489421 137197032 /nfs/dbraw/zinc/19/70/32/137197032.db2.gz KSNOEGDQBNULKT-DGCLKSJQSA-N 2 2 278.356 0.377 20 0 CCADLP Cc1cc(C)n(CC[N@@H+](C)C2CC[NH+](CCO)CC2)n1 ZINC000344960700 137223675 /nfs/dbraw/zinc/22/36/75/137223675.db2.gz MKGNCBBUWGIMEZ-UHFFFAOYSA-N 2 2 280.416 0.888 20 0 CCADLP Cc1cc(C)n(CC[N@H+](C)C2CC[NH+](CCO)CC2)n1 ZINC000344960700 137223676 /nfs/dbraw/zinc/22/36/76/137223676.db2.gz MKGNCBBUWGIMEZ-UHFFFAOYSA-N 2 2 280.416 0.888 20 0 CCADLP O=C(CC[C@H]1CCC[NH2+]C1)NCC[NH+]1CCOCC1 ZINC000036757216 348170101 /nfs/dbraw/zinc/17/01/01/348170101.db2.gz FBJFSCOGPJHZND-CYBMUJFWSA-N 2 2 269.389 0.215 20 0 CCADLP COc1cccc(CNC(=O)C[NH+]2CCC([NH3+])CC2)c1 ZINC000036753941 348170249 /nfs/dbraw/zinc/17/02/49/348170249.db2.gz MRKRLPGOPTUVFU-UHFFFAOYSA-N 2 2 277.368 0.735 20 0 CCADLP O=C(CC[NH2+]C1CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000037611936 348192618 /nfs/dbraw/zinc/19/26/18/348192618.db2.gz OTXUCPJVVGDEEP-UHFFFAOYSA-N 2 2 274.368 0.872 20 0 CCADLP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCOCC2)C1 ZINC000041573349 348256802 /nfs/dbraw/zinc/25/68/02/348256802.db2.gz GDEKTAZHDFIZRJ-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CC(C)OC(=O)CC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602876144 362858238 /nfs/dbraw/zinc/85/82/38/362858238.db2.gz FELIUSWBKQIVRB-CQSZACIVSA-N 2 2 272.389 0.717 20 0 CCADLP CC(C)OC(=O)CC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602876144 362858241 /nfs/dbraw/zinc/85/82/41/362858241.db2.gz FELIUSWBKQIVRB-CQSZACIVSA-N 2 2 272.389 0.717 20 0 CCADLP CC[NH+]1C[C@H](C)N(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC000345916520 137259728 /nfs/dbraw/zinc/25/97/28/137259728.db2.gz JJPVWGIJUCRISS-RDBSUJKOSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1C[C@H](C)N(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC000345916520 137259729 /nfs/dbraw/zinc/25/97/29/137259729.db2.gz JJPVWGIJUCRISS-RDBSUJKOSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)C1 ZINC000345916520 137259730 /nfs/dbraw/zinc/25/97/30/137259730.db2.gz JJPVWGIJUCRISS-RDBSUJKOSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)C1 ZINC000345916520 137259731 /nfs/dbraw/zinc/25/97/31/137259731.db2.gz JJPVWGIJUCRISS-RDBSUJKOSA-N 2 2 283.416 0.648 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC[NH+](C)CC1 ZINC000345623967 137243233 /nfs/dbraw/zinc/24/32/33/137243233.db2.gz FFTWJIOFGYXXHU-UHFFFAOYSA-N 2 2 250.346 0.813 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC(F)F)C[C@H]1[NH+]1CCOCC1 ZINC000345823176 137254489 /nfs/dbraw/zinc/25/44/89/137254489.db2.gz UUEZTDLKTUFZDA-OUAUKWLOSA-N 2 2 291.342 0.148 20 0 CCADLP COC(=O)[C@H]1C[C@H](OC)C[N@H+]1CCn1cc[nH+]c1C ZINC000346325801 137278952 /nfs/dbraw/zinc/27/89/52/137278952.db2.gz MDVXWEAAWSCARV-NWDGAFQWSA-N 2 2 267.329 0.454 20 0 CCADLP COC(=O)[C@H]1C[C@H](OC)C[N@@H+]1CCn1cc[nH+]c1C ZINC000346325801 137278953 /nfs/dbraw/zinc/27/89/53/137278953.db2.gz MDVXWEAAWSCARV-NWDGAFQWSA-N 2 2 267.329 0.454 20 0 CCADLP O=C(C[N@@H+]1CCc2sccc2C1)N1CC[NH2+]CC1 ZINC000043403458 348307945 /nfs/dbraw/zinc/30/79/45/348307945.db2.gz MQBJRKNVCNLIAQ-UHFFFAOYSA-N 2 2 265.382 0.538 20 0 CCADLP O=C(C[N@H+]1CCc2sccc2C1)N1CC[NH2+]CC1 ZINC000043403458 348307947 /nfs/dbraw/zinc/30/79/47/348307947.db2.gz MQBJRKNVCNLIAQ-UHFFFAOYSA-N 2 2 265.382 0.538 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cn1C ZINC000346660708 137297428 /nfs/dbraw/zinc/29/74/28/137297428.db2.gz JJAWUINIXGKVPL-CQSZACIVSA-N 2 2 283.372 0.214 20 0 CCADLP C[C@H](CO)[N@@H+]1CCCN(CCn2cc[nH+]c2)CC1 ZINC000346655620 137297568 /nfs/dbraw/zinc/29/75/68/137297568.db2.gz SJEGHDWPZRMFLP-CYBMUJFWSA-N 2 2 252.362 0.272 20 0 CCADLP C[C@H](CO)[N@H+]1CCCN(CCn2cc[nH+]c2)CC1 ZINC000346655620 137297569 /nfs/dbraw/zinc/29/75/69/137297569.db2.gz SJEGHDWPZRMFLP-CYBMUJFWSA-N 2 2 252.362 0.272 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(C(=O)N(C)C)[nH]2)C1 ZINC000346691991 137299258 /nfs/dbraw/zinc/29/92/58/137299258.db2.gz XHISCKKFRSPYLE-MNOVXSKESA-N 2 2 264.373 0.886 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(C(=O)N(C)C)[nH]2)C1 ZINC000346691991 137299259 /nfs/dbraw/zinc/29/92/59/137299259.db2.gz XHISCKKFRSPYLE-MNOVXSKESA-N 2 2 264.373 0.886 20 0 CCADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000347025686 137316256 /nfs/dbraw/zinc/31/62/56/137316256.db2.gz NWRNZZOOMXYZDN-CHWSQXEVSA-N 2 2 285.432 0.990 20 0 CCADLP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000045173108 348334330 /nfs/dbraw/zinc/33/43/30/348334330.db2.gz SHBDGHVZKTVMKP-GFCCVEGCSA-N 2 2 268.382 0.932 20 0 CCADLP Cn1cc[nH+]c1CN1CC[NH+](CCC(C)(C)O)CC1 ZINC000347279327 137328738 /nfs/dbraw/zinc/32/87/38/137328738.db2.gz DDFISCQHVKAQTR-UHFFFAOYSA-N 2 2 266.389 0.699 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000347498055 137339580 /nfs/dbraw/zinc/33/95/80/137339580.db2.gz JMVVRJQILRPTEY-UHFFFAOYSA-N 2 2 289.379 0.694 20 0 CCADLP CC[NH+]1CCN([C@H](C)CNC(=O)CCn2cc[nH+]c2)CC1 ZINC000349118884 137387824 /nfs/dbraw/zinc/38/78/24/137387824.db2.gz OPBOVTBYUBZUAX-CQSZACIVSA-N 2 2 293.415 0.415 20 0 CCADLP C[C@@H](CNC(=O)c1ccc2c(c1)C[NH2+]C2)[NH+]1CCOCC1 ZINC000347544752 137342281 /nfs/dbraw/zinc/34/22/81/137342281.db2.gz BREYBBYBMHQFGD-LBPRGKRZSA-N 2 2 289.379 0.740 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000347707646 137352118 /nfs/dbraw/zinc/35/21/18/137352118.db2.gz XVOLDZHCDLWVTQ-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000347707646 137352119 /nfs/dbraw/zinc/35/21/19/137352119.db2.gz XVOLDZHCDLWVTQ-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP COC(=O)CC1([NH2+]Cc2c[nH+]c[nH]2)CCOCC1 ZINC000347775953 137356019 /nfs/dbraw/zinc/35/60/19/137356019.db2.gz LNYPAUYTZFPSQC-UHFFFAOYSA-N 2 2 253.302 0.612 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)CC1 ZINC000347802684 137357976 /nfs/dbraw/zinc/35/79/76/137357976.db2.gz XGZOBVSEBFYKJH-UONOGXRCSA-N 2 2 297.443 0.489 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)CC1 ZINC000347802684 137357977 /nfs/dbraw/zinc/35/79/77/137357977.db2.gz XGZOBVSEBFYKJH-UONOGXRCSA-N 2 2 297.443 0.489 20 0 CCADLP Cc1cc[nH+]cc1CCC[NH2+]CC1(CO)COC1 ZINC000348098875 137372908 /nfs/dbraw/zinc/37/29/08/137372908.db2.gz UWSIQAYORQSXIS-UHFFFAOYSA-N 2 2 250.342 0.921 20 0 CCADLP C[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)CC1CC1 ZINC000052106435 348505016 /nfs/dbraw/zinc/50/50/16/348505016.db2.gz OJGOHLYBFLUFPC-UHFFFAOYSA-N 2 2 283.416 0.555 20 0 CCADLP C[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)CC1CC1 ZINC000052106435 348505020 /nfs/dbraw/zinc/50/50/20/348505020.db2.gz OJGOHLYBFLUFPC-UHFFFAOYSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@H](NC(=O)CCc1c[nH+]cn1C)[C@@H]1C[N@H+](C)CCO1 ZINC000684464318 545677257 /nfs/dbraw/zinc/67/72/57/545677257.db2.gz TWHPAWIXUOXMTM-AAEUAGOBSA-N 2 2 280.372 0.188 20 0 CCADLP C[C@H](NC(=O)CCc1c[nH+]cn1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000684464318 545677264 /nfs/dbraw/zinc/67/72/64/545677264.db2.gz TWHPAWIXUOXMTM-AAEUAGOBSA-N 2 2 280.372 0.188 20 0 CCADLP CC(C)c1nc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)no1 ZINC000063180057 348681507 /nfs/dbraw/zinc/68/15/07/348681507.db2.gz ABWWZCZOADGKJJ-LLVKDONJSA-N 2 2 295.387 0.480 20 0 CCADLP CC(C)c1nc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)no1 ZINC000063180057 348681510 /nfs/dbraw/zinc/68/15/10/348681510.db2.gz ABWWZCZOADGKJJ-LLVKDONJSA-N 2 2 295.387 0.480 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000068299048 348806744 /nfs/dbraw/zinc/80/67/44/348806744.db2.gz WIICCKPKEALYOI-OLZOCXBDSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000068299048 348806746 /nfs/dbraw/zinc/80/67/46/348806746.db2.gz WIICCKPKEALYOI-OLZOCXBDSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cnn(C)c1 ZINC000068802235 348821923 /nfs/dbraw/zinc/82/19/23/348821923.db2.gz SEBMRPARWXDUBJ-DGCLKSJQSA-N 2 2 251.378 0.317 20 0 CCADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cnn(C)c1 ZINC000068802235 348821924 /nfs/dbraw/zinc/82/19/24/348821924.db2.gz SEBMRPARWXDUBJ-DGCLKSJQSA-N 2 2 251.378 0.317 20 0 CCADLP CCOC(=O)N1CCC([NH2+]C[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000068801718 348822295 /nfs/dbraw/zinc/82/22/95/348822295.db2.gz QJFLJLUUBCVZNT-AWEZNQCLSA-N 2 2 298.431 0.443 20 0 CCADLP CCOC(=O)N1CCC([NH2+]C[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000068801718 348822298 /nfs/dbraw/zinc/82/22/98/348822298.db2.gz QJFLJLUUBCVZNT-AWEZNQCLSA-N 2 2 298.431 0.443 20 0 CCADLP Cc1n[nH]c(C)c1C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000068800256 348822570 /nfs/dbraw/zinc/82/25/70/348822570.db2.gz GTQSCHOUOGOUKW-LBPRGKRZSA-N 2 2 251.378 0.362 20 0 CCADLP Cc1n[nH]c(C)c1C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000068800256 348822573 /nfs/dbraw/zinc/82/25/73/348822573.db2.gz GTQSCHOUOGOUKW-LBPRGKRZSA-N 2 2 251.378 0.362 20 0 CCADLP CCOC(=O)[C@@]1(C)C[N@H+](CCn2cc[nH+]c2C)CCO1 ZINC000603004001 362931150 /nfs/dbraw/zinc/93/11/50/362931150.db2.gz IGDHCIRLIWQWRK-CQSZACIVSA-N 2 2 281.356 0.846 20 0 CCADLP CCOC(=O)[C@@]1(C)C[N@@H+](CCn2cc[nH+]c2C)CCO1 ZINC000603004001 362931156 /nfs/dbraw/zinc/93/11/56/362931156.db2.gz IGDHCIRLIWQWRK-CQSZACIVSA-N 2 2 281.356 0.846 20 0 CCADLP Cc1cc(N2CC[NH+](CCC(=O)N(C)C)CC2)nc(C)[nH+]1 ZINC000069227877 348837632 /nfs/dbraw/zinc/83/76/32/348837632.db2.gz GSDUTOZCWNNFKL-UHFFFAOYSA-N 2 2 291.399 0.694 20 0 CCADLP CC[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000070010708 348868991 /nfs/dbraw/zinc/86/89/91/348868991.db2.gz DAFHBEQXPQSZSZ-KGLIPLIRSA-N 2 2 256.390 0.802 20 0 CCADLP CC[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000070010708 348868993 /nfs/dbraw/zinc/86/89/93/348868993.db2.gz DAFHBEQXPQSZSZ-KGLIPLIRSA-N 2 2 256.390 0.802 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000072857844 348935775 /nfs/dbraw/zinc/93/57/75/348935775.db2.gz BDWWZMATAOVLKN-ZDUSSCGKSA-N 2 2 298.431 0.886 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000072857844 348935778 /nfs/dbraw/zinc/93/57/78/348935778.db2.gz BDWWZMATAOVLKN-ZDUSSCGKSA-N 2 2 298.431 0.886 20 0 CCADLP CCCCNC(=O)NC(=O)C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000072857844 348935782 /nfs/dbraw/zinc/93/57/82/348935782.db2.gz BDWWZMATAOVLKN-ZDUSSCGKSA-N 2 2 298.431 0.886 20 0 CCADLP CCCCNC(=O)NC(=O)C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000072857844 348935785 /nfs/dbraw/zinc/93/57/85/348935785.db2.gz BDWWZMATAOVLKN-ZDUSSCGKSA-N 2 2 298.431 0.886 20 0 CCADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N(C)C2CC2)C1 ZINC000072859438 348936278 /nfs/dbraw/zinc/93/62/78/348936278.db2.gz DGRJDWLSRYHTHK-GFCCVEGCSA-N 2 2 253.390 0.881 20 0 CCADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N(C)C2CC2)C1 ZINC000072859438 348936285 /nfs/dbraw/zinc/93/62/85/348936285.db2.gz DGRJDWLSRYHTHK-GFCCVEGCSA-N 2 2 253.390 0.881 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N(C)C2CC2)C1 ZINC000072859438 348936289 /nfs/dbraw/zinc/93/62/89/348936289.db2.gz DGRJDWLSRYHTHK-GFCCVEGCSA-N 2 2 253.390 0.881 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC000072859438 348936295 /nfs/dbraw/zinc/93/62/95/348936295.db2.gz DGRJDWLSRYHTHK-GFCCVEGCSA-N 2 2 253.390 0.881 20 0 CCADLP C[N@H+](CCO)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000070924354 348899016 /nfs/dbraw/zinc/89/90/16/348899016.db2.gz IUEMIEWAOHUIFA-UHFFFAOYSA-N 2 2 297.424 0.316 20 0 CCADLP C[N@@H+](CCO)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000070924354 348899020 /nfs/dbraw/zinc/89/90/20/348899020.db2.gz IUEMIEWAOHUIFA-UHFFFAOYSA-N 2 2 297.424 0.316 20 0 CCADLP [NH3+][C@@H](CCC(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000071400140 348908787 /nfs/dbraw/zinc/90/87/87/348908787.db2.gz RUUKQNUKMIHILG-HNNXBMFYSA-N 2 2 291.395 0.915 20 0 CCADLP Cc1nc(N2CC[NH+](CC(C)(C)O)CC2)cc[nH+]1 ZINC000071382187 348909212 /nfs/dbraw/zinc/90/92/12/348909212.db2.gz RNZAXUITVKYMNN-UHFFFAOYSA-N 2 2 250.346 0.678 20 0 CCADLP O[C@@H](C[NH2+][C@H]1CCOC1)C[N@@H+]1CCc2ccccc2C1 ZINC000339546942 215239145 /nfs/dbraw/zinc/23/91/45/215239145.db2.gz XJAXAVIMCRUDRV-HOTGVXAUSA-N 2 2 276.380 0.784 20 0 CCADLP O[C@@H](C[NH2+][C@H]1CCOC1)C[N@H+]1CCc2ccccc2C1 ZINC000339546942 215239149 /nfs/dbraw/zinc/23/91/49/215239149.db2.gz XJAXAVIMCRUDRV-HOTGVXAUSA-N 2 2 276.380 0.784 20 0 CCADLP CCC[NH+]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC000073364534 348949824 /nfs/dbraw/zinc/94/98/24/348949824.db2.gz LHHSMHHZXLWZEP-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP CCC[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC000073364534 348949827 /nfs/dbraw/zinc/94/98/27/348949827.db2.gz LHHSMHHZXLWZEP-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)NC2CCOCC2)C1 ZINC000076004332 349062882 /nfs/dbraw/zinc/06/28/82/349062882.db2.gz DSNMGRXGYRLDHH-AWEZNQCLSA-N 2 2 297.443 0.945 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)NC2CCOCC2)C1 ZINC000076004332 349062889 /nfs/dbraw/zinc/06/28/89/349062889.db2.gz DSNMGRXGYRLDHH-AWEZNQCLSA-N 2 2 297.443 0.945 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CCOC)CC1 ZINC000077408626 349109556 /nfs/dbraw/zinc/10/95/56/349109556.db2.gz RDHPFIWRRQPBOY-GFCCVEGCSA-N 2 2 257.378 0.117 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CCOC)CC1 ZINC000077408626 349109558 /nfs/dbraw/zinc/10/95/58/349109558.db2.gz RDHPFIWRRQPBOY-GFCCVEGCSA-N 2 2 257.378 0.117 20 0 CCADLP CCCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369257751 535096033 /nfs/dbraw/zinc/09/60/33/535096033.db2.gz SXNKHDJRIUEKFO-LBPRGKRZSA-N 2 2 268.405 0.864 20 0 CCADLP CCCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369257751 535096041 /nfs/dbraw/zinc/09/60/41/535096041.db2.gz SXNKHDJRIUEKFO-LBPRGKRZSA-N 2 2 268.405 0.864 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCn2cc[nH+]c2C1 ZINC000088397666 349367813 /nfs/dbraw/zinc/36/78/13/349367813.db2.gz WRSJOWFZYGWPQX-GJZGRUSLSA-N 2 2 286.379 0.630 20 0 CCADLP Cc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])n1C ZINC000120763829 350003983 /nfs/dbraw/zinc/00/39/83/350003983.db2.gz CLUIOZSWKKWTKE-NSHDSACASA-N 2 2 250.346 0.048 20 0 CCADLP Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])n1C ZINC000120763829 350003984 /nfs/dbraw/zinc/00/39/84/350003984.db2.gz CLUIOZSWKKWTKE-NSHDSACASA-N 2 2 250.346 0.048 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCS(=O)(=O)C1 ZINC000120835407 350007957 /nfs/dbraw/zinc/00/79/57/350007957.db2.gz WGWVAUOOFOIBGU-LLVKDONJSA-N 2 2 257.359 0.392 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCS(=O)(=O)C1 ZINC000120835407 350007960 /nfs/dbraw/zinc/00/79/60/350007960.db2.gz WGWVAUOOFOIBGU-LLVKDONJSA-N 2 2 257.359 0.392 20 0 CCADLP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000120914174 350013584 /nfs/dbraw/zinc/01/35/84/350013584.db2.gz NHOOQTSFCTWPQC-PMPSAXMXSA-N 3 2 282.476 0.800 20 0 CCADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000120914174 350013587 /nfs/dbraw/zinc/01/35/87/350013587.db2.gz NHOOQTSFCTWPQC-PMPSAXMXSA-N 3 2 282.476 0.800 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000121125675 350023259 /nfs/dbraw/zinc/02/32/59/350023259.db2.gz CSMCYKSOJORZRR-KBPBESRZSA-N 2 2 291.351 0.392 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)C1 ZINC000121125675 350023267 /nfs/dbraw/zinc/02/32/67/350023267.db2.gz CSMCYKSOJORZRR-KBPBESRZSA-N 2 2 291.351 0.392 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)NC(=O)NC1CC1 ZINC000123699012 350080863 /nfs/dbraw/zinc/08/08/63/350080863.db2.gz LCKQUZXPIHGSQW-NSHDSACASA-N 2 2 270.377 0.280 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)NC(=O)NC1CC1 ZINC000123699012 350080867 /nfs/dbraw/zinc/08/08/67/350080867.db2.gz LCKQUZXPIHGSQW-NSHDSACASA-N 2 2 270.377 0.280 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCCc1c[nH+]cn1C ZINC000121395627 350036910 /nfs/dbraw/zinc/03/69/10/350036910.db2.gz FPZNGPYXRPMVJW-ZDUSSCGKSA-N 2 2 264.373 0.953 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)NCCc1c[nH+]cn1C ZINC000121395627 350036913 /nfs/dbraw/zinc/03/69/13/350036913.db2.gz FPZNGPYXRPMVJW-ZDUSSCGKSA-N 2 2 264.373 0.953 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000121518998 350042884 /nfs/dbraw/zinc/04/28/84/350042884.db2.gz VZLLVEOSAYEPMV-GFCCVEGCSA-N 2 2 282.413 0.516 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000121518998 350042885 /nfs/dbraw/zinc/04/28/85/350042885.db2.gz VZLLVEOSAYEPMV-GFCCVEGCSA-N 2 2 282.413 0.516 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000124629499 350103410 /nfs/dbraw/zinc/10/34/10/350103410.db2.gz NQNOFTFITDSVKZ-MNOVXSKESA-N 2 2 270.377 0.280 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000124629499 350103412 /nfs/dbraw/zinc/10/34/12/350103412.db2.gz NQNOFTFITDSVKZ-MNOVXSKESA-N 2 2 270.377 0.280 20 0 CCADLP 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C[C@@H](Cn1cc[nH+]c1)NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000134486684 350366271 /nfs/dbraw/zinc/36/62/71/350366271.db2.gz ZJLRHIWPEDOQGY-NWDGAFQWSA-N 2 2 250.346 0.778 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000134926275 350380380 /nfs/dbraw/zinc/38/03/80/350380380.db2.gz ZATBSNFGJYPALZ-MNOVXSKESA-N 2 2 277.372 0.988 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000134926275 350380382 /nfs/dbraw/zinc/38/03/82/350380382.db2.gz ZATBSNFGJYPALZ-MNOVXSKESA-N 2 2 277.372 0.988 20 0 CCADLP COc1c(N)nc[nH+]c1N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000134926275 350380386 /nfs/dbraw/zinc/38/03/86/350380386.db2.gz ZATBSNFGJYPALZ-MNOVXSKESA-N 2 2 277.372 0.988 20 0 CCADLP COc1c(N)nc[nH+]c1N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000134926275 350380389 /nfs/dbraw/zinc/38/03/89/350380389.db2.gz ZATBSNFGJYPALZ-MNOVXSKESA-N 2 2 277.372 0.988 20 0 CCADLP COCC[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000105899677 186085219 /nfs/dbraw/zinc/08/52/19/186085219.db2.gz 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ZINC000152430494 350527481 /nfs/dbraw/zinc/52/74/81/350527481.db2.gz ATRNCKOAJKUJAG-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP C[NH+](CC(=O)NC1CCOCC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152430494 350527483 /nfs/dbraw/zinc/52/74/83/350527483.db2.gz ATRNCKOAJKUJAG-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP C[NH+](CC(=O)NC1CCOCC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152430494 350527485 /nfs/dbraw/zinc/52/74/85/350527485.db2.gz ATRNCKOAJKUJAG-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP CCC[NH+]1CCC([N@H+](C)CC(=O)N2CCOCC2)CC1 ZINC000109787921 186272151 /nfs/dbraw/zinc/27/21/51/186272151.db2.gz DEFIYXKJIUDEEO-UHFFFAOYSA-N 2 2 283.416 0.651 20 0 CCADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N2CCOCC2)CC1 ZINC000109787921 186272152 /nfs/dbraw/zinc/27/21/52/186272152.db2.gz DEFIYXKJIUDEEO-UHFFFAOYSA-N 2 2 283.416 0.651 20 0 CCADLP CCC[NH+]1CCC([N@H+](C)CC(=O)NC(=O)NC2CC2)CC1 ZINC000109787223 186272937 /nfs/dbraw/zinc/27/29/37/186272937.db2.gz BPXVUKGMVJKSRQ-UHFFFAOYSA-N 2 2 296.415 0.781 20 0 CCADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)NC(=O)NC2CC2)CC1 ZINC000109787223 186272939 /nfs/dbraw/zinc/27/29/39/186272939.db2.gz BPXVUKGMVJKSRQ-UHFFFAOYSA-N 2 2 296.415 0.781 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)no1 ZINC000163181999 350761772 /nfs/dbraw/zinc/76/17/72/350761772.db2.gz DJLPPDKOMLJHHV-ZJUUUORDSA-N 2 2 252.318 0.591 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)no1 ZINC000163181999 350761775 /nfs/dbraw/zinc/76/17/75/350761775.db2.gz DJLPPDKOMLJHHV-ZJUUUORDSA-N 2 2 252.318 0.591 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1nncn1C ZINC000162185290 350738587 /nfs/dbraw/zinc/73/85/87/350738587.db2.gz JGKGICRQEGMOGU-UHFFFAOYSA-N 2 2 280.420 0.273 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1nncn1C ZINC000162185290 350738588 /nfs/dbraw/zinc/73/85/88/350738588.db2.gz JGKGICRQEGMOGU-UHFFFAOYSA-N 2 2 280.420 0.273 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCOCc2ccccc2)[C@H](C[NH3+])C1 ZINC000162326674 350741556 /nfs/dbraw/zinc/74/15/56/350741556.db2.gz QUALUCLSOYMMOZ-OAHLLOKOSA-N 2 2 291.395 0.695 20 0 CCADLP C[N@H+]1CCN(C(=O)CCOCc2ccccc2)[C@H](C[NH3+])C1 ZINC000162326674 350741558 /nfs/dbraw/zinc/74/15/58/350741558.db2.gz QUALUCLSOYMMOZ-OAHLLOKOSA-N 2 2 291.395 0.695 20 0 CCADLP COc1ccc(OCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000162392326 350742660 /nfs/dbraw/zinc/74/26/60/350742660.db2.gz KMLOZXDSSQCZFY-GFCCVEGCSA-N 2 2 293.367 0.175 20 0 CCADLP COc1ccc(OCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000162392326 350742663 /nfs/dbraw/zinc/74/26/63/350742663.db2.gz KMLOZXDSSQCZFY-GFCCVEGCSA-N 2 2 293.367 0.175 20 0 CCADLP C[C@@]1(C(=O)NCCc2cn3ccccc3[nH+]2)CC[NH2+]C1 ZINC000164233788 350777322 /nfs/dbraw/zinc/77/73/22/350777322.db2.gz MPXDNIBTWYXWLR-OAHLLOKOSA-N 2 2 272.352 0.993 20 0 CCADLP O=C(C[NH2+]CC1CC1)NCCCNc1cccc[nH+]1 ZINC000165239503 350788616 /nfs/dbraw/zinc/78/86/16/350788616.db2.gz MOJGWZAVMYEGCB-UHFFFAOYSA-N 2 2 262.357 0.999 20 0 CCADLP CC(C)[NH2+]CCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000165681839 350792499 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350907544 /nfs/dbraw/zinc/90/75/44/350907544.db2.gz BGRSJKYYYMLCSZ-UHFFFAOYSA-N 2 2 257.378 0.117 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH+]1CCOCC1 ZINC000171419140 350907547 /nfs/dbraw/zinc/90/75/47/350907547.db2.gz BGRSJKYYYMLCSZ-UHFFFAOYSA-N 2 2 257.378 0.117 20 0 CCADLP C[C@@H]1CCC[N@@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000172629046 351001067 /nfs/dbraw/zinc/00/10/67/351001067.db2.gz XBOJKNMCKVFPMW-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@@H]1CCC[N@H+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000172629046 351001070 /nfs/dbraw/zinc/00/10/70/351001070.db2.gz XBOJKNMCKVFPMW-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP CSCC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000178744016 351243144 /nfs/dbraw/zinc/24/31/44/351243144.db2.gz DCJOPZFOBSKGHD-NSHDSACASA-N 2 2 289.445 0.294 20 0 CCADLP CSCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000178744016 351243145 /nfs/dbraw/zinc/24/31/45/351243145.db2.gz DCJOPZFOBSKGHD-NSHDSACASA-N 2 2 289.445 0.294 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CC2CCOCC2)CC1 ZINC000177156450 351196216 /nfs/dbraw/zinc/19/62/16/351196216.db2.gz ZLNULJQMPLQIML-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP c1cn(CCN2CC[NH+](C[C@@H]3CCOC3)CC2)c[nH+]1 ZINC000179253328 351261795 /nfs/dbraw/zinc/26/17/95/351261795.db2.gz YAFNPFJPXLANKA-AWEZNQCLSA-N 2 2 264.373 0.537 20 0 CCADLP CC(C)[C@H](C)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181044475 351301184 /nfs/dbraw/zinc/30/11/84/351301184.db2.gz XRKWHELNPNLXLN-KBPBESRZSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H]1C[N@H+](CCCn2cc[nH+]c2)CCN1S(C)(=O)=O ZINC000181606522 351328252 /nfs/dbraw/zinc/32/82/52/351328252.db2.gz NCKPQUZCACQGNQ-LBPRGKRZSA-N 2 2 286.401 0.239 20 0 CCADLP C[C@H]1C[N@@H+](CCCn2cc[nH+]c2)CCN1S(C)(=O)=O ZINC000181606522 351328262 /nfs/dbraw/zinc/32/82/62/351328262.db2.gz NCKPQUZCACQGNQ-LBPRGKRZSA-N 2 2 286.401 0.239 20 0 CCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000339798676 215342914 /nfs/dbraw/zinc/34/29/14/215342914.db2.gz FBSXBBXVNLMVDC-OLZOCXBDSA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000339798676 215342915 /nfs/dbraw/zinc/34/29/15/215342915.db2.gz FBSXBBXVNLMVDC-OLZOCXBDSA-N 2 2 271.405 0.554 20 0 CCADLP Cn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)cn1 ZINC000182112782 351347358 /nfs/dbraw/zinc/34/73/58/351347358.db2.gz JJIGFJBUAMPZBL-AWEZNQCLSA-N 2 2 291.399 0.206 20 0 CCADLP Cn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)cn1 ZINC000182112782 351347363 /nfs/dbraw/zinc/34/73/63/351347363.db2.gz JJIGFJBUAMPZBL-AWEZNQCLSA-N 2 2 291.399 0.206 20 0 CCADLP CC[C@H]1[C@@H](C)CC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000185673012 351454015 /nfs/dbraw/zinc/45/40/15/351454015.db2.gz LNFLCIWKVKEDEO-STQMWFEESA-N 2 2 253.390 0.881 20 0 CCADLP CC[C@H]1[C@@H](C)CC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000185673012 351454017 /nfs/dbraw/zinc/45/40/17/351454017.db2.gz LNFLCIWKVKEDEO-STQMWFEESA-N 2 2 253.390 0.881 20 0 CCADLP C[C@H](C(=O)N1CCC(CC[NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000339813607 215348418 /nfs/dbraw/zinc/34/84/18/215348418.db2.gz OFIQPQQPBHGXMF-CQSZACIVSA-N 2 2 297.443 0.897 20 0 CCADLP O[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)CC(F)(F)F ZINC000189415887 351677805 /nfs/dbraw/zinc/67/78/05/351677805.db2.gz KZJRRIMGBQCWOC-NWDGAFQWSA-N 2 2 296.333 0.954 20 0 CCADLP O[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)CC(F)(F)F ZINC000189415887 351677810 /nfs/dbraw/zinc/67/78/10/351677810.db2.gz KZJRRIMGBQCWOC-NWDGAFQWSA-N 2 2 296.333 0.954 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)O1 ZINC000190724847 351732438 /nfs/dbraw/zinc/73/24/38/351732438.db2.gz NBUOUXFKEXBQDF-ILXRZTDVSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)O1 ZINC000190724847 351732440 /nfs/dbraw/zinc/73/24/40/351732440.db2.gz NBUOUXFKEXBQDF-ILXRZTDVSA-N 2 2 295.427 0.792 20 0 CCADLP O=C(NCCn1cc[nH+]c1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000192681411 351793636 /nfs/dbraw/zinc/79/36/36/351793636.db2.gz LKDGHMPJZBVRJG-CQSZACIVSA-N 2 2 292.383 0.643 20 0 CCADLP O=C(NCCn1cc[nH+]c1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000192681411 351793640 /nfs/dbraw/zinc/79/36/40/351793640.db2.gz LKDGHMPJZBVRJG-CQSZACIVSA-N 2 2 292.383 0.643 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]CCC(=O)N1CC[NH+](C)CC1)C2 ZINC000192821103 351799798 /nfs/dbraw/zinc/79/97/98/351799798.db2.gz NMSMZXOPBFUSDG-GOOCMWNKSA-N 3 2 294.443 0.365 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]CCC(=O)N1CC[NH+](C)CC1)C2 ZINC000192821103 351799799 /nfs/dbraw/zinc/79/97/99/351799799.db2.gz NMSMZXOPBFUSDG-GOOCMWNKSA-N 3 2 294.443 0.365 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000191516313 351761829 /nfs/dbraw/zinc/76/18/29/351761829.db2.gz CDHPTTLXUIJNOG-GJZGRUSLSA-N 2 2 285.432 0.096 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000191516313 351761832 /nfs/dbraw/zinc/76/18/32/351761832.db2.gz CDHPTTLXUIJNOG-GJZGRUSLSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H](Cn1cccn1)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000122554351 187037921 /nfs/dbraw/zinc/03/79/21/187037921.db2.gz MQDCVUKZHNHSJH-OLZOCXBDSA-N 2 2 251.378 0.107 20 0 CCADLP C[C@H](Cn1cccn1)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000122554351 187037922 /nfs/dbraw/zinc/03/79/22/187037922.db2.gz MQDCVUKZHNHSJH-OLZOCXBDSA-N 2 2 251.378 0.107 20 0 CCADLP C[C@H]([NH3+])C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000195149852 351899339 /nfs/dbraw/zinc/89/93/39/351899339.db2.gz BYKYPGXHPUZCHT-QWRGUYRKSA-N 2 2 278.356 0.270 20 0 CCADLP CC[N@H+](CCCNC(=O)[C@@H](C[NH3+])OC)c1ccccc1 ZINC000227375140 352049712 /nfs/dbraw/zinc/04/97/12/352049712.db2.gz ODGFEYNMFXRTHS-CQSZACIVSA-N 2 2 279.384 0.993 20 0 CCADLP CC[N@@H+](CCCNC(=O)[C@@H](C[NH3+])OC)c1ccccc1 ZINC000227375140 352049714 /nfs/dbraw/zinc/04/97/14/352049714.db2.gz ODGFEYNMFXRTHS-CQSZACIVSA-N 2 2 279.384 0.993 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000226676527 352031418 /nfs/dbraw/zinc/03/14/18/352031418.db2.gz KGNYCWNQBFWVFM-MJBXVCDLSA-N 2 2 283.416 0.554 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000226676527 352031422 /nfs/dbraw/zinc/03/14/22/352031422.db2.gz KGNYCWNQBFWVFM-MJBXVCDLSA-N 2 2 283.416 0.554 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000227259398 352041406 /nfs/dbraw/zinc/04/14/06/352041406.db2.gz VSVIPTIILQRNQR-LPEHRKFASA-N 2 2 256.350 0.032 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000227259398 352041408 /nfs/dbraw/zinc/04/14/08/352041408.db2.gz VSVIPTIILQRNQR-LPEHRKFASA-N 2 2 256.350 0.032 20 0 CCADLP CC(C)[C@H](CCO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000231071433 352125963 /nfs/dbraw/zinc/12/59/63/352125963.db2.gz LVKFYLCZCNEBLW-LBPRGKRZSA-N 2 2 254.378 0.983 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cccc2c1OCO2 ZINC000228726228 352083285 /nfs/dbraw/zinc/08/32/85/352083285.db2.gz KYLGLTQEPBZRHZ-AWEZNQCLSA-N 2 2 266.341 0.818 20 0 CCADLP c1cc(NCC[NH+]2CCOCC2)nc(N2CCOCC2)[nH+]1 ZINC000230479423 352116193 /nfs/dbraw/zinc/11/61/93/352116193.db2.gz SDSOFIFGKCFLOP-UHFFFAOYSA-N 2 2 293.371 0.057 20 0 CCADLP CCC[NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000515381764 535171311 /nfs/dbraw/zinc/17/13/11/535171311.db2.gz KKELLIAZKWCCHW-UHFFFAOYSA-N 2 2 274.328 0.392 20 0 CCADLP CC1(C)CCC[NH2+][C@H]1C(=O)NCC[NH+]1CCOCC1 ZINC000232933106 352148489 /nfs/dbraw/zinc/14/84/89/352148489.db2.gz KRARZDYKJFLVAC-LBPRGKRZSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H](C)[NH2+]1 ZINC000655415637 412562730 /nfs/dbraw/zinc/56/27/30/412562730.db2.gz ONWXHSJHDQRGGX-GRYCIOLGSA-N 2 2 262.357 0.654 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000236912185 352227558 /nfs/dbraw/zinc/22/75/58/352227558.db2.gz UESAJXUWZZFFPP-LOWDOPEQSA-N 2 2 271.405 0.585 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000603474388 363135187 /nfs/dbraw/zinc/13/51/87/363135187.db2.gz GYRBGMXFZLCDAR-GFCCVEGCSA-N 2 2 277.372 0.006 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000603474388 363135193 /nfs/dbraw/zinc/13/51/93/363135193.db2.gz GYRBGMXFZLCDAR-GFCCVEGCSA-N 2 2 277.372 0.006 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000237339599 352261747 /nfs/dbraw/zinc/26/17/47/352261747.db2.gz VVTUCXHWFUSDCK-SDDRHHMPSA-N 2 2 257.378 0.067 20 0 CCADLP C[C@@H]1CN(c2ccc(CNC(=O)CC[NH3+])c[nH+]2)CCO1 ZINC000237527045 352269591 /nfs/dbraw/zinc/26/95/91/352269591.db2.gz RIWWSFWVMXCKKQ-LLVKDONJSA-N 2 2 278.356 0.272 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cn1C ZINC000240668103 352305151 /nfs/dbraw/zinc/30/51/51/352305151.db2.gz HMJJWRLUMSKHAQ-ZDUSSCGKSA-N 2 2 295.383 0.358 20 0 CCADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NC[C@H]2CCCO2)C1 ZINC000245445948 352322909 /nfs/dbraw/zinc/32/29/09/352322909.db2.gz KTATZYPNIVVYRQ-SOUVJXGZSA-N 2 2 297.443 0.944 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NC[C@H]2CCCO2)C1 ZINC000245445948 352322913 /nfs/dbraw/zinc/32/29/13/352322913.db2.gz KTATZYPNIVVYRQ-SOUVJXGZSA-N 2 2 297.443 0.944 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC[C@H]2CCCO2)C1 ZINC000245445948 352322917 /nfs/dbraw/zinc/32/29/17/352322917.db2.gz KTATZYPNIVVYRQ-SOUVJXGZSA-N 2 2 297.443 0.944 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC[C@H]2CCCO2)C1 ZINC000245445948 352322920 /nfs/dbraw/zinc/32/29/20/352322920.db2.gz KTATZYPNIVVYRQ-SOUVJXGZSA-N 2 2 297.443 0.944 20 0 CCADLP CCOC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000246146798 352350089 /nfs/dbraw/zinc/35/00/89/352350089.db2.gz GXOHLUGJGHMGGG-LSDHHAIUSA-N 2 2 297.443 0.897 20 0 CCADLP CCOC[C@@H]1CC[N@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000246146798 352350093 /nfs/dbraw/zinc/35/00/93/352350093.db2.gz GXOHLUGJGHMGGG-LSDHHAIUSA-N 2 2 297.443 0.897 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655418290 412564582 /nfs/dbraw/zinc/56/45/82/412564582.db2.gz QGHCMLADHZJATF-QWRGUYRKSA-N 2 2 250.346 0.545 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)C[C@@H]1[NH+]1CCOCC1 ZINC000246258997 352357948 /nfs/dbraw/zinc/35/79/48/352357948.db2.gz KWHVNIDSTISHFQ-SYQHCUMBSA-N 2 2 281.400 0.293 20 0 CCADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)NC(=O)NC3CC3)CC[C@H]21 ZINC000247945480 352428497 /nfs/dbraw/zinc/42/84/97/352428497.db2.gz DMEGYUJPUHLMQH-WCQYABFASA-N 2 2 294.399 0.391 20 0 CCADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)NC(=O)NC3CC3)CC[C@H]21 ZINC000247945480 352428501 /nfs/dbraw/zinc/42/85/01/352428501.db2.gz DMEGYUJPUHLMQH-WCQYABFASA-N 2 2 294.399 0.391 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)NC(=O)NC3CC3)CC[C@H]21 ZINC000247945480 352428504 /nfs/dbraw/zinc/42/85/04/352428504.db2.gz DMEGYUJPUHLMQH-WCQYABFASA-N 2 2 294.399 0.391 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)NC(=O)NC3CC3)CC[C@H]21 ZINC000247945480 352428507 /nfs/dbraw/zinc/42/85/07/352428507.db2.gz DMEGYUJPUHLMQH-WCQYABFASA-N 2 2 294.399 0.391 20 0 CCADLP COCC1(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCC1 ZINC000339915158 215395986 /nfs/dbraw/zinc/39/59/86/215395986.db2.gz OFNVTUVHVDECFY-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP C[C@](O)(CO)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000684538503 545700964 /nfs/dbraw/zinc/70/09/64/545700964.db2.gz MXGTUJIPOGSKGA-GFCCVEGCSA-N 2 2 267.354 0.767 20 0 CCADLP C[C@H](C[NH3+])C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000262305909 352585859 /nfs/dbraw/zinc/58/58/59/352585859.db2.gz CGSCNXOIIQZWEL-UKRRQHHQSA-N 2 2 291.395 0.771 20 0 CCADLP COc1ccnc(N2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)n1 ZINC000262049717 352573714 /nfs/dbraw/zinc/57/37/14/352573714.db2.gz QDMULDNITSGNMA-OAHLLOKOSA-N 2 2 291.399 0.607 20 0 CCADLP CC(C)NS(=O)(=O)[C@H]1CC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262098598 352578077 /nfs/dbraw/zinc/57/80/77/352578077.db2.gz VKAWPQCUBDBNGU-QWHCGFSZSA-N 2 2 289.445 0.388 20 0 CCADLP CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000262098598 352578080 /nfs/dbraw/zinc/57/80/80/352578080.db2.gz VKAWPQCUBDBNGU-QWHCGFSZSA-N 2 2 289.445 0.388 20 0 CCADLP O=C(NCC1C[NH2+]C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000418489386 234137318 /nfs/dbraw/zinc/13/73/18/234137318.db2.gz OIZXUZHYDJKAQH-UHFFFAOYSA-N 2 2 294.424 0.795 20 0 CCADLP CN(C(=O)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1)C1CC1 ZINC000604390275 363192469 /nfs/dbraw/zinc/19/24/69/363192469.db2.gz SQJJMUJTJVJNEB-HNNXBMFYSA-N 2 2 294.443 0.319 20 0 CCADLP CN(C(=O)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1)C1CC1 ZINC000604390275 363192471 /nfs/dbraw/zinc/19/24/71/363192471.db2.gz SQJJMUJTJVJNEB-HNNXBMFYSA-N 2 2 294.443 0.319 20 0 CCADLP OCc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)o1 ZINC000266180610 352687629 /nfs/dbraw/zinc/68/76/29/352687629.db2.gz FXNHUVBTMBPXLQ-NSHDSACASA-N 2 2 254.330 0.318 20 0 CCADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)N1CCNC1=O ZINC000266764272 352718511 /nfs/dbraw/zinc/71/85/11/352718511.db2.gz QWFKLXCQRNDQEN-UHFFFAOYSA-N 2 2 277.328 0.141 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000266213431 352690620 /nfs/dbraw/zinc/69/06/20/352690620.db2.gz NUOBNTNIJVCFDP-LLVKDONJSA-N 2 2 275.356 0.851 20 0 CCADLP Cn1cc[nH+]c1CN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604388591 363192744 /nfs/dbraw/zinc/19/27/44/363192744.db2.gz JNJBQUNAAMRROL-AWEZNQCLSA-N 2 2 277.416 0.632 20 0 CCADLP Cn1cc[nH+]c1CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604388591 363192751 /nfs/dbraw/zinc/19/27/51/363192751.db2.gz JNJBQUNAAMRROL-AWEZNQCLSA-N 2 2 277.416 0.632 20 0 CCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604388985 363192773 /nfs/dbraw/zinc/19/27/73/363192773.db2.gz KFQOOSWJXRVYOA-HIFRSBDPSA-N 2 2 294.443 0.365 20 0 CCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604388985 363192777 /nfs/dbraw/zinc/19/27/77/363192777.db2.gz KFQOOSWJXRVYOA-HIFRSBDPSA-N 2 2 294.443 0.365 20 0 CCADLP Cc1[nH+]ccn1CCCCNC(=O)N1CC[NH+](C)CC1 ZINC000266811019 352722612 /nfs/dbraw/zinc/72/26/12/352722612.db2.gz OKCDRCTYRGUYOY-UHFFFAOYSA-N 2 2 279.388 0.929 20 0 CCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000266874320 352728320 /nfs/dbraw/zinc/72/83/20/352728320.db2.gz YLBOKHXWCPCGIZ-YPMHNXCESA-N 2 2 280.372 0.274 20 0 CCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000266874320 352728323 /nfs/dbraw/zinc/72/83/23/352728323.db2.gz YLBOKHXWCPCGIZ-YPMHNXCESA-N 2 2 280.372 0.274 20 0 CCADLP CCCCNC(=O)[C@@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266917172 352732579 /nfs/dbraw/zinc/73/25/79/352732579.db2.gz LAPNWTAJVZQFQH-CYBMUJFWSA-N 2 2 293.415 0.847 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNc2ccc(C(N)=O)nn2)CC1 ZINC000267156886 352748254 /nfs/dbraw/zinc/74/82/54/352748254.db2.gz DUKVOASMGKDYAQ-UHFFFAOYSA-N 2 2 292.387 0.013 20 0 CCADLP COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267458863 352768168 /nfs/dbraw/zinc/76/81/68/352768168.db2.gz UITACRDZTFBRDG-MNOVXSKESA-N 2 2 294.355 0.267 20 0 CCADLP COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267458863 352768170 /nfs/dbraw/zinc/76/81/70/352768170.db2.gz UITACRDZTFBRDG-MNOVXSKESA-N 2 2 294.355 0.267 20 0 CCADLP CC[C@H](C(=O)NCCNc1cccc[nH+]1)[NH+](C)C ZINC000269916289 352885404 /nfs/dbraw/zinc/88/54/04/352885404.db2.gz HLYJCDBJHIVORG-LLVKDONJSA-N 2 2 250.346 0.950 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000272297072 353050668 /nfs/dbraw/zinc/05/06/68/353050668.db2.gz COABETFGAPVLMH-RYUDHWBXSA-N 2 2 277.372 0.656 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000272297072 353050672 /nfs/dbraw/zinc/05/06/72/353050672.db2.gz COABETFGAPVLMH-RYUDHWBXSA-N 2 2 277.372 0.656 20 0 CCADLP C[NH+]1CCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC1 ZINC000273218125 353111018 /nfs/dbraw/zinc/11/10/18/353111018.db2.gz UYOWXYYVEYAOPB-ZDUSSCGKSA-N 2 2 291.399 0.580 20 0 CCADLP Cc1[nH+]ccn1CCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000153664534 188096062 /nfs/dbraw/zinc/09/60/62/188096062.db2.gz QTUQVHDSNMNDGO-CYBMUJFWSA-N 2 2 280.372 0.371 20 0 CCADLP Cc1[nH+]ccn1CCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000153664534 188096064 /nfs/dbraw/zinc/09/60/64/188096064.db2.gz QTUQVHDSNMNDGO-CYBMUJFWSA-N 2 2 280.372 0.371 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000277024570 353218241 /nfs/dbraw/zinc/21/82/41/353218241.db2.gz HYGKBACQBJTILM-RYUDHWBXSA-N 2 2 295.387 0.137 20 0 CCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)NCc1c[nH+]cn1C ZINC000336448488 213313534 /nfs/dbraw/zinc/31/35/34/213313534.db2.gz WAAUGVINRUUYOC-NSHDSACASA-N 2 2 265.361 0.656 20 0 CCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)NCc1c[nH+]cn1C ZINC000336448488 213313532 /nfs/dbraw/zinc/31/35/32/213313532.db2.gz WAAUGVINRUUYOC-NSHDSACASA-N 2 2 265.361 0.656 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000276939093 353211946 /nfs/dbraw/zinc/21/19/46/353211946.db2.gz BPTJEILETFJAMY-NXEZZACHSA-N 2 2 250.346 0.819 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655447125 412575466 /nfs/dbraw/zinc/57/54/66/412575466.db2.gz RCGXSLSXDPMNJG-IPYPFGDCSA-N 2 2 281.400 0.213 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655447125 412575468 /nfs/dbraw/zinc/57/54/68/412575468.db2.gz RCGXSLSXDPMNJG-IPYPFGDCSA-N 2 2 281.400 0.213 20 0 CCADLP C[NH+](C)C1CN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)C1 ZINC000277853030 353269565 /nfs/dbraw/zinc/26/95/65/353269565.db2.gz QZPAFSAGUWLPFY-LBPRGKRZSA-N 2 2 291.399 0.578 20 0 CCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000655449450 412576342 /nfs/dbraw/zinc/57/63/42/412576342.db2.gz GVVCZMXFBZCFPK-WCQYABFASA-N 2 2 274.368 0.798 20 0 CCADLP C[NH2+][C@@H](C)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000655449842 412576786 /nfs/dbraw/zinc/57/67/86/412576786.db2.gz RKKZECPESLNKFW-AWEZNQCLSA-N 2 2 290.411 0.533 20 0 CCADLP Cc1cc([C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)nn1C ZINC000282280857 353409844 /nfs/dbraw/zinc/40/98/44/353409844.db2.gz RRMCCXIXBSNPPZ-ZDUSSCGKSA-N 2 2 293.415 0.543 20 0 CCADLP Cc1cn[nH]c1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000289957861 353696687 /nfs/dbraw/zinc/69/66/87/353696687.db2.gz QOVMLISATMCLJL-AWEZNQCLSA-N 2 2 293.415 0.750 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000287937073 353676661 /nfs/dbraw/zinc/67/66/61/353676661.db2.gz XAAYTCZVFMUFAB-QWHCGFSZSA-N 2 2 291.399 0.910 20 0 CCADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000290082601 353706432 /nfs/dbraw/zinc/70/64/32/353706432.db2.gz WGZAQFMAVQMXLS-NWDGAFQWSA-N 2 2 250.346 0.778 20 0 CCADLP CC(C)[C@H](C(=O)N1CCn2c[nH+]cc2C1)[NH+](C)C ZINC000291031993 353764762 /nfs/dbraw/zinc/76/47/62/353764762.db2.gz FIRKRDJEWLVYPH-GFCCVEGCSA-N 2 2 250.346 0.812 20 0 CCADLP Cn1ncc2c1nc(N1CC[C@H](C[NH+](C)C)C1)[nH+]c2N ZINC000293242573 353799384 /nfs/dbraw/zinc/79/93/84/353799384.db2.gz ZHUAVQQBLBNCOA-SECBINFHSA-N 2 2 275.360 0.333 20 0 CCADLP C[C@H](C[NH2+]C[C@H]1CNc2ccnn2C1)C[NH+]1CCOCC1 ZINC000606472493 363290839 /nfs/dbraw/zinc/29/08/39/363290839.db2.gz JQVHLJVJSQZREP-KGLIPLIRSA-N 2 2 293.415 0.483 20 0 CCADLP CC(C)n1cc(CN2CC[N@H+](C)C[C@H]2C[NH3+])cn1 ZINC000300517497 354066563 /nfs/dbraw/zinc/06/65/63/354066563.db2.gz KZKGMJOVXLTLTL-CYBMUJFWSA-N 2 2 251.378 0.539 20 0 CCADLP CC(C)n1cc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])cn1 ZINC000300517497 354066566 /nfs/dbraw/zinc/06/65/66/354066566.db2.gz KZKGMJOVXLTLTL-CYBMUJFWSA-N 2 2 251.378 0.539 20 0 CCADLP C[C@@H](NC(=O)NC[C@@H]1C[N@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000606676483 363304010 /nfs/dbraw/zinc/30/40/10/363304010.db2.gz CWLWMDPHTKYHMV-TZMCWYRMSA-N 2 2 298.431 0.347 20 0 CCADLP C[C@@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)C1CC[NH+](C)CC1 ZINC000606676483 363304019 /nfs/dbraw/zinc/30/40/19/363304019.db2.gz CWLWMDPHTKYHMV-TZMCWYRMSA-N 2 2 298.431 0.347 20 0 CCADLP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@H](O)C[NH+](C)C ZINC000305149722 354134144 /nfs/dbraw/zinc/13/41/44/354134144.db2.gz SYUYFXQTBJVLTA-CMPLNLGQSA-N 2 2 252.362 0.310 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@@]1(C)C[NH3+] ZINC000655477926 412586647 /nfs/dbraw/zinc/58/66/47/412586647.db2.gz JXPSMZJPVDTMAU-LALPHHSUSA-N 2 2 276.384 0.889 20 0 CCADLP CC[NH+](CC)C[C@H]1CCN(C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000304313261 354112567 /nfs/dbraw/zinc/11/25/67/354112567.db2.gz NBVIFBIOLXMTNH-HZPDHXFCSA-N 2 2 299.459 0.343 20 0 CCADLP C[C@@H]1C[N@H+](CCNc2cc(-n3cc[nH+]c3)ncn2)CCO1 ZINC000607146069 363340945 /nfs/dbraw/zinc/34/09/45/363340945.db2.gz WXJRZHBJZWXZEZ-GFCCVEGCSA-N 2 2 288.355 0.795 20 0 CCADLP C[C@@H]1C[N@@H+](CCNc2cc(-n3cc[nH+]c3)ncn2)CCO1 ZINC000607146069 363340948 /nfs/dbraw/zinc/34/09/48/363340948.db2.gz WXJRZHBJZWXZEZ-GFCCVEGCSA-N 2 2 288.355 0.795 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@@H](O)CC(F)(F)F ZINC000307947443 354181452 /nfs/dbraw/zinc/18/14/52/354181452.db2.gz NFOIWMPYUSLODF-ZJUUUORDSA-N 2 2 269.311 0.135 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@@H](O)CC(F)(F)F ZINC000307947443 354181454 /nfs/dbraw/zinc/18/14/54/354181454.db2.gz NFOIWMPYUSLODF-ZJUUUORDSA-N 2 2 269.311 0.135 20 0 CCADLP CN(C)c1nc(NCC[N@@H+]2CCOC(C)(C)C2)cc[nH+]1 ZINC000607146085 363341665 /nfs/dbraw/zinc/34/16/65/363341665.db2.gz ZGZUYPMYXXWHII-UHFFFAOYSA-N 2 2 279.388 0.487 20 0 CCADLP CN(C)c1nc(NCC[N@H+]2CCOC(C)(C)C2)cc[nH+]1 ZINC000607146085 363341670 /nfs/dbraw/zinc/34/16/70/363341670.db2.gz ZGZUYPMYXXWHII-UHFFFAOYSA-N 2 2 279.388 0.487 20 0 CCADLP O=S1(=O)CCCN1CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000328646805 354245251 /nfs/dbraw/zinc/24/52/51/354245251.db2.gz HKVCVXRGRCBGKA-GFCCVEGCSA-N 2 2 298.412 0.625 20 0 CCADLP O=S1(=O)CCCN1CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000328646805 354245254 /nfs/dbraw/zinc/24/52/54/354245254.db2.gz HKVCVXRGRCBGKA-GFCCVEGCSA-N 2 2 298.412 0.625 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000313985506 354220665 /nfs/dbraw/zinc/22/06/65/354220665.db2.gz MYHHHYINDVGQIN-JYJNAYRXSA-N 3 2 299.459 0.342 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000313985506 354220668 /nfs/dbraw/zinc/22/06/68/354220668.db2.gz MYHHHYINDVGQIN-JYJNAYRXSA-N 3 2 299.459 0.342 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000313985506 354220669 /nfs/dbraw/zinc/22/06/69/354220669.db2.gz MYHHHYINDVGQIN-JYJNAYRXSA-N 3 2 299.459 0.342 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000313985506 354220671 /nfs/dbraw/zinc/22/06/71/354220671.db2.gz MYHHHYINDVGQIN-JYJNAYRXSA-N 3 2 299.459 0.342 20 0 CCADLP CCN1CC[N@H+](CCn2cc[nH+]c2)C[C@@H]1c1ncc[nH]1 ZINC000329900483 354270713 /nfs/dbraw/zinc/27/07/13/354270713.db2.gz GFDYGQOERIZYJS-CYBMUJFWSA-N 2 2 274.372 0.985 20 0 CCADLP CCN1CC[N@@H+](CCn2cc[nH+]c2)C[C@@H]1c1ncc[nH]1 ZINC000329900483 354270717 /nfs/dbraw/zinc/27/07/17/354270717.db2.gz GFDYGQOERIZYJS-CYBMUJFWSA-N 2 2 274.372 0.985 20 0 CCADLP CCn1c[nH+]cc1CN(CC[NH+](C)C)CC[NH+](C)C ZINC000557201073 291026282 /nfs/dbraw/zinc/02/62/82/291026282.db2.gz MRMGQCXPESNFAE-UHFFFAOYSA-N 3 2 267.421 0.828 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000370244745 283017403 /nfs/dbraw/zinc/01/74/03/283017403.db2.gz RBJWKNLQDPAQOY-ZDUSSCGKSA-N 2 2 278.356 0.446 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000370244745 283017408 /nfs/dbraw/zinc/01/74/08/283017408.db2.gz RBJWKNLQDPAQOY-ZDUSSCGKSA-N 2 2 278.356 0.446 20 0 CCADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000423877959 283023424 /nfs/dbraw/zinc/02/34/24/283023424.db2.gz UBJRGVWOTHPLQL-CABCVRRESA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000423877959 283023425 /nfs/dbraw/zinc/02/34/25/283023425.db2.gz UBJRGVWOTHPLQL-CABCVRRESA-N 2 2 295.427 0.698 20 0 CCADLP Cc1nccnc1[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000331340542 354542947 /nfs/dbraw/zinc/54/29/47/354542947.db2.gz MYXIFOWYAAYWDN-AAEUAGOBSA-N 2 2 250.346 0.502 20 0 CCADLP Cc1nccnc1[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000331340542 354542950 /nfs/dbraw/zinc/54/29/50/354542950.db2.gz MYXIFOWYAAYWDN-AAEUAGOBSA-N 2 2 250.346 0.502 20 0 CCADLP C[C@@H]1CC[N@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1C[NH3+] ZINC000331400464 354563140 /nfs/dbraw/zinc/56/31/40/354563140.db2.gz NOIVSXYNPLFXCG-VXGBXAGGSA-N 2 2 274.430 0.728 20 0 CCADLP C[C@@H]1CC[N@@H+](CC2(CS(C)(=O)=O)CC2)C[C@H]1C[NH3+] ZINC000331400464 354563142 /nfs/dbraw/zinc/56/31/42/354563142.db2.gz NOIVSXYNPLFXCG-VXGBXAGGSA-N 2 2 274.430 0.728 20 0 CCADLP C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C[C@H]1[NH3+] ZINC000332183713 354626343 /nfs/dbraw/zinc/62/63/43/354626343.db2.gz ZKZUMPGTZPXYJR-JHJVBQTASA-N 2 2 289.383 0.649 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000331556981 354605473 /nfs/dbraw/zinc/60/54/73/354605473.db2.gz GCQABIOTVBXVQI-LBPRGKRZSA-N 2 2 275.418 0.001 20 0 CCADLP CCS(=O)(=O)NCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000331556981 354605475 /nfs/dbraw/zinc/60/54/75/354605475.db2.gz GCQABIOTVBXVQI-LBPRGKRZSA-N 2 2 275.418 0.001 20 0 CCADLP [NH3+]C1(CNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)CCC1 ZINC000333652103 354770772 /nfs/dbraw/zinc/77/07/72/354770772.db2.gz JZEPLRSNRWXKMY-LBPRGKRZSA-N 2 2 277.372 0.939 20 0 CCADLP O=C(NC[C@@H]1CCC[NH2+]1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000333709074 354780212 /nfs/dbraw/zinc/78/02/12/354780212.db2.gz RZGUJKUKCVNRBT-KBPBESRZSA-N 2 2 296.415 0.245 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000333712360 354781215 /nfs/dbraw/zinc/78/12/15/354781215.db2.gz FONYCYVWEZQZBM-MJBXVCDLSA-N 2 2 296.415 0.243 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](C3CC3)C2)CC1 ZINC000334432127 354863397 /nfs/dbraw/zinc/86/33/97/354863397.db2.gz WPMDWFUNDAFLMI-CQSZACIVSA-N 2 2 265.401 0.882 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](C3CC3)C2)CC1 ZINC000334432127 354863399 /nfs/dbraw/zinc/86/33/99/354863399.db2.gz WPMDWFUNDAFLMI-CQSZACIVSA-N 2 2 265.401 0.882 20 0 CCADLP Cc1ccc([C@@H]([NH3+])C(=O)N(C)CC[NH+]2CCOCC2)cc1 ZINC000423753275 235059298 /nfs/dbraw/zinc/05/92/98/235059298.db2.gz XCULAFBTDMSULC-OAHLLOKOSA-N 2 2 291.395 0.785 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C2([NH3+])CCCC2)C[C@H](C)O1 ZINC000423764244 235066150 /nfs/dbraw/zinc/06/61/50/235066150.db2.gz ROSWPDWBQGBJPD-BETUJISGSA-N 2 2 283.416 0.826 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C2([NH3+])CCCC2)C[C@H](C)O1 ZINC000423764244 235066154 /nfs/dbraw/zinc/06/61/54/235066154.db2.gz ROSWPDWBQGBJPD-BETUJISGSA-N 2 2 283.416 0.826 20 0 CCADLP O=C(C[C@@H]1CCC[NH2+]1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000423805129 235087090 /nfs/dbraw/zinc/08/70/90/235087090.db2.gz SGEOEBIQJPMJAC-STQMWFEESA-N 2 2 274.368 0.919 20 0 CCADLP COc1ccc2c(c1)CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C2 ZINC000655504315 412601794 /nfs/dbraw/zinc/60/17/94/412601794.db2.gz QSAFFHCJOCSVDX-AWEZNQCLSA-N 2 2 277.368 0.816 20 0 CCADLP O=C([C@H]1CC[NH2+]1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000336174860 355109928 /nfs/dbraw/zinc/10/99/28/355109928.db2.gz PFADANOYVSUGNQ-CQSZACIVSA-N 2 2 259.353 0.693 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H](O)C(C)(C)C1)C1CC1 ZINC000336786476 355159567 /nfs/dbraw/zinc/15/95/67/355159567.db2.gz CBKNHJGJILCNPL-QWHCGFSZSA-N 2 2 256.390 0.534 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H](O)C(C)(C)C1)C1CC1 ZINC000336786476 355159568 /nfs/dbraw/zinc/15/95/68/355159568.db2.gz CBKNHJGJILCNPL-QWHCGFSZSA-N 2 2 256.390 0.534 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H](O)C(C)(C)C1)C1CC1 ZINC000336786476 355159569 /nfs/dbraw/zinc/15/95/69/355159569.db2.gz CBKNHJGJILCNPL-QWHCGFSZSA-N 2 2 256.390 0.534 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H](O)C(C)(C)C1)C1CC1 ZINC000336786476 355159570 /nfs/dbraw/zinc/15/95/70/355159570.db2.gz CBKNHJGJILCNPL-QWHCGFSZSA-N 2 2 256.390 0.534 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+](C)CCn1cccn1)C1CC1 ZINC000336793217 355165758 /nfs/dbraw/zinc/16/57/58/355165758.db2.gz VUSKZGRUMRRAGK-ZDUSSCGKSA-N 2 2 252.362 0.270 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+](C)CCn1cccn1)C1CC1 ZINC000336793217 355165759 /nfs/dbraw/zinc/16/57/59/355165759.db2.gz VUSKZGRUMRRAGK-ZDUSSCGKSA-N 2 2 252.362 0.270 20 0 CCADLP C[NH+](CCn1cccn1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336793217 355165760 /nfs/dbraw/zinc/16/57/60/355165760.db2.gz VUSKZGRUMRRAGK-ZDUSSCGKSA-N 2 2 252.362 0.270 20 0 CCADLP C[NH+](CCn1cccn1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336793217 355165762 /nfs/dbraw/zinc/16/57/62/355165762.db2.gz VUSKZGRUMRRAGK-ZDUSSCGKSA-N 2 2 252.362 0.270 20 0 CCADLP [NH3+][C@@H]1C[C@@H]1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000424143254 235160407 /nfs/dbraw/zinc/16/04/07/235160407.db2.gz FSBLTDRJKWGLHT-CMPLNLGQSA-N 2 2 274.299 0.975 20 0 CCADLP Cc1cc(NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)cc[nH+]1 ZINC000424141445 235160654 /nfs/dbraw/zinc/16/06/54/235160654.db2.gz UDXANSZQBYBRRG-LBPRGKRZSA-N 2 2 286.339 0.580 20 0 CCADLP C[C@@H](C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000424013332 235139263 /nfs/dbraw/zinc/13/92/63/235139263.db2.gz KNYQPPJRCQKUOU-AGIUHOORSA-N 2 2 269.389 0.150 20 0 CCADLP c1c[nH+]c(CN2CC[NH+](C[C@@H]3CCCO3)CC2)[nH]1 ZINC000336698646 355139512 /nfs/dbraw/zinc/13/95/12/355139512.db2.gz GDEFOFQMBDYGPZ-LBPRGKRZSA-N 2 2 250.346 0.706 20 0 CCADLP COCC1(O)CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000336734888 355154165 /nfs/dbraw/zinc/15/41/65/355154165.db2.gz WOANYUUHOOUVRH-UHFFFAOYSA-N 2 2 253.346 0.665 20 0 CCADLP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000336785412 355158817 /nfs/dbraw/zinc/15/88/17/355158817.db2.gz DHNMJMBVWPYAPL-GXTWGEPZSA-N 2 2 253.390 0.977 20 0 CCADLP CCCCNC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000336785412 355158821 /nfs/dbraw/zinc/15/88/21/355158821.db2.gz DHNMJMBVWPYAPL-GXTWGEPZSA-N 2 2 253.390 0.977 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@H](N2CCCC2=O)C1)C1CC1 ZINC000336839152 355210337 /nfs/dbraw/zinc/21/03/37/355210337.db2.gz OBGPBRODVUJJGE-KBPBESRZSA-N 2 2 281.400 0.138 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H](N2CCCC2=O)C1)C1CC1 ZINC000336839152 355210339 /nfs/dbraw/zinc/21/03/39/355210339.db2.gz OBGPBRODVUJJGE-KBPBESRZSA-N 2 2 281.400 0.138 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H](N2CCCC2=O)C1)C1CC1 ZINC000336839152 355210343 /nfs/dbraw/zinc/21/03/43/355210343.db2.gz OBGPBRODVUJJGE-KBPBESRZSA-N 2 2 281.400 0.138 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@H](N2CCCC2=O)C1)C1CC1 ZINC000336839152 355210346 /nfs/dbraw/zinc/21/03/46/355210346.db2.gz OBGPBRODVUJJGE-KBPBESRZSA-N 2 2 281.400 0.138 20 0 CCADLP CC(C)[NH+]1CCC(N2CC[NH+]([C@@H]3CCNC3=O)CC2)CC1 ZINC000336841641 355212643 /nfs/dbraw/zinc/21/26/43/355212643.db2.gz PCOSAZLKTWVJJK-OAHLLOKOSA-N 2 2 294.443 0.365 20 0 CCADLP [NH3+]Cc1nc(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)cs1 ZINC000424169928 235167732 /nfs/dbraw/zinc/16/77/32/235167732.db2.gz JZBMLTHCASCJTC-SSDOTTSWSA-N 2 2 290.339 0.576 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H](n2cccn2)C1)C1CC1 ZINC000336843006 355213537 /nfs/dbraw/zinc/21/35/37/355213537.db2.gz VWYYYVPUZUMTAI-LSDHHAIUSA-N 2 2 278.400 0.975 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H](n2cccn2)C1)C1CC1 ZINC000336843006 355213539 /nfs/dbraw/zinc/21/35/39/355213539.db2.gz VWYYYVPUZUMTAI-LSDHHAIUSA-N 2 2 278.400 0.975 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H](n2cccn2)C1)C1CC1 ZINC000336843006 355213541 /nfs/dbraw/zinc/21/35/41/355213541.db2.gz VWYYYVPUZUMTAI-LSDHHAIUSA-N 2 2 278.400 0.975 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H](n2cccn2)C1)C1CC1 ZINC000336843006 355213543 /nfs/dbraw/zinc/21/35/43/355213543.db2.gz VWYYYVPUZUMTAI-LSDHHAIUSA-N 2 2 278.400 0.975 20 0 CCADLP [NH3+][C@@H]1CC[C@H](C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000424177076 235168626 /nfs/dbraw/zinc/16/86/26/235168626.db2.gz PJPUAGVDYKSHEH-LPEHRKFASA-N 2 2 261.316 0.475 20 0 CCADLP CN(C)S(=O)(=O)CC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000336814505 355189403 /nfs/dbraw/zinc/18/94/03/355189403.db2.gz XHUJOVIZDRDQHB-CYBMUJFWSA-N 2 2 291.461 0.684 20 0 CCADLP CN(C)S(=O)(=O)CC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000336814505 355189404 /nfs/dbraw/zinc/18/94/04/355189404.db2.gz XHUJOVIZDRDQHB-CYBMUJFWSA-N 2 2 291.461 0.684 20 0 CCADLP CN(C)S(=O)(=O)CC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000336814505 355189408 /nfs/dbraw/zinc/18/94/08/355189408.db2.gz XHUJOVIZDRDQHB-CYBMUJFWSA-N 2 2 291.461 0.684 20 0 CCADLP CN(C)S(=O)(=O)CC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000336814505 355189410 /nfs/dbraw/zinc/18/94/10/355189410.db2.gz XHUJOVIZDRDQHB-CYBMUJFWSA-N 2 2 291.461 0.684 20 0 CCADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@H](O)C[NH3+] ZINC000336815736 355190166 /nfs/dbraw/zinc/19/01/66/355190166.db2.gz IUDFSUGRJKQALW-CQSZACIVSA-N 3 2 260.341 0.624 20 0 CCADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C[C@H](O)C[NH3+] ZINC000336815736 355190167 /nfs/dbraw/zinc/19/01/67/355190167.db2.gz IUDFSUGRJKQALW-CQSZACIVSA-N 3 2 260.341 0.624 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000336822654 355197236 /nfs/dbraw/zinc/19/72/36/355197236.db2.gz MNMGFYKDMRPSGP-UHFFFAOYSA-N 3 2 279.432 0.761 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000336822654 355197239 /nfs/dbraw/zinc/19/72/39/355197239.db2.gz MNMGFYKDMRPSGP-UHFFFAOYSA-N 3 2 279.432 0.761 20 0 CCADLP Cc1cnn(CC[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000336833007 355205428 /nfs/dbraw/zinc/20/54/28/355205428.db2.gz XPIMYFWFVNGGGW-OAHLLOKOSA-N 2 2 278.400 0.846 20 0 CCADLP Cc1cnn(CC[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000336833007 355205430 /nfs/dbraw/zinc/20/54/30/355205430.db2.gz XPIMYFWFVNGGGW-OAHLLOKOSA-N 2 2 278.400 0.846 20 0 CCADLP Cn1cc([C@@H]2C[N@H+](C[C@H]3CCSC3)C[C@H]2[NH3+])cn1 ZINC000424373033 235200689 /nfs/dbraw/zinc/20/06/89/235200689.db2.gz GJCIQJITMPVPLQ-KGYLQXTDSA-N 2 2 266.414 0.900 20 0 CCADLP Cn1cc([C@@H]2C[N@@H+](C[C@H]3CCSC3)C[C@H]2[NH3+])cn1 ZINC000424373033 235200692 /nfs/dbraw/zinc/20/06/92/235200692.db2.gz GJCIQJITMPVPLQ-KGYLQXTDSA-N 2 2 266.414 0.900 20 0 CCADLP CN1CCC[C@H]([N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000558627698 291062634 /nfs/dbraw/zinc/06/26/34/291062634.db2.gz BRQXKGMMIOYHEB-GJZGRUSLSA-N 2 2 295.427 0.651 20 0 CCADLP CN1CCC[C@H]([N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000558627698 291062637 /nfs/dbraw/zinc/06/26/37/291062637.db2.gz BRQXKGMMIOYHEB-GJZGRUSLSA-N 2 2 295.427 0.651 20 0 CCADLP C[C@H]([NH2+]Cc1cccc2[nH+]ccn21)C(=O)NCCF ZINC000337274933 355295113 /nfs/dbraw/zinc/29/51/13/355295113.db2.gz DLMOSEZYETYCMS-JTQLQIEISA-N 2 2 264.304 0.898 20 0 CCADLP C[C@H]1C[N@H+](C)CCN1C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338189694 355310631 /nfs/dbraw/zinc/31/06/31/355310631.db2.gz NBFMWVWBYOCNGA-LBPRGKRZSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338189694 355310634 /nfs/dbraw/zinc/31/06/34/355310634.db2.gz NBFMWVWBYOCNGA-LBPRGKRZSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCC1=O ZINC000338569415 355369496 /nfs/dbraw/zinc/36/94/96/355369496.db2.gz DJDUAHLBZMTPKX-LBPRGKRZSA-N 2 2 267.373 0.061 20 0 CCADLP C[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCC1=O ZINC000338569415 355369500 /nfs/dbraw/zinc/36/95/00/355369500.db2.gz DJDUAHLBZMTPKX-LBPRGKRZSA-N 2 2 267.373 0.061 20 0 CCADLP C[NH+](C)C[C@@H](Cc1ccccc1)[NH2+]CCC(=O)NC(N)=O ZINC000558656952 291065619 /nfs/dbraw/zinc/06/56/19/291065619.db2.gz ANAUROVLEFBIBY-CYBMUJFWSA-N 2 2 292.383 0.334 20 0 CCADLP COCC(C)(C)[NH+]1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000424981530 235246846 /nfs/dbraw/zinc/24/68/46/235246846.db2.gz BFOALJGGZBYTMG-UHFFFAOYSA-N 2 2 294.399 0.912 20 0 CCADLP COCC(C)(C)[NH+]1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000424981530 235246853 /nfs/dbraw/zinc/24/68/53/235246853.db2.gz BFOALJGGZBYTMG-UHFFFAOYSA-N 2 2 294.399 0.912 20 0 CCADLP C[C@@H](C(=O)NCCC1CC[NH+](C)CC1)[NH+]1CCN(C)CC1 ZINC000338940132 355457236 /nfs/dbraw/zinc/45/72/36/355457236.db2.gz RFSJCWRBHYATLD-AWEZNQCLSA-N 2 2 296.459 0.470 20 0 CCADLP Cc1c[nH+]c(CNC[C@@H](O)C[NH+]2CCCC2)n1C ZINC000341128498 355611901 /nfs/dbraw/zinc/61/19/01/355611901.db2.gz WMUQGOYMGFBDON-GFCCVEGCSA-N 2 2 252.362 0.275 20 0 CCADLP CN(C)c1nccc(C[N@H+](C)C2CC[NH+](CCO)CC2)n1 ZINC000341305796 355649516 /nfs/dbraw/zinc/64/95/16/355649516.db2.gz JDFBAOBMAOSBMR-UHFFFAOYSA-N 2 2 293.415 0.431 20 0 CCADLP CN(C)c1nccc(C[N@@H+](C)C2CC[NH+](CCO)CC2)n1 ZINC000341305796 355649521 /nfs/dbraw/zinc/64/95/21/355649521.db2.gz JDFBAOBMAOSBMR-UHFFFAOYSA-N 2 2 293.415 0.431 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)C[NH+](C)C ZINC000341306926 355649784 /nfs/dbraw/zinc/64/97/84/355649784.db2.gz WLPZEIKBSCOSOO-ZFWWWQNUSA-N 2 2 297.443 0.801 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1)C[NH+](C)C ZINC000341306926 355649787 /nfs/dbraw/zinc/64/97/87/355649787.db2.gz WLPZEIKBSCOSOO-ZFWWWQNUSA-N 2 2 297.443 0.801 20 0 CCADLP Cc1c[nH+]c(CN2CCO[C@@H](C[NH+](C)C)C2)n1C ZINC000342772016 355742823 /nfs/dbraw/zinc/74/28/23/355742823.db2.gz AWLBCQIBGQUDDL-LBPRGKRZSA-N 2 2 252.362 0.491 20 0 CCADLP O=C(C[NH+]1CCCC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000348254431 355896992 /nfs/dbraw/zinc/89/69/92/355896992.db2.gz DHUIAYTWFCQCCU-ZDUSSCGKSA-N 2 2 267.373 0.015 20 0 CCADLP C[C@H](C[S@](C)=O)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351605110 356002705 /nfs/dbraw/zinc/00/27/05/356002705.db2.gz NETUPWHSQBAPMN-HSOHIQCKSA-N 2 2 262.419 0.140 20 0 CCADLP C[C@H](C[S@](C)=O)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351605110 356002709 /nfs/dbraw/zinc/00/27/09/356002709.db2.gz NETUPWHSQBAPMN-HSOHIQCKSA-N 2 2 262.419 0.140 20 0 CCADLP C[C@H](C[S@](C)=O)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351605110 356002714 /nfs/dbraw/zinc/00/27/14/356002714.db2.gz NETUPWHSQBAPMN-HSOHIQCKSA-N 2 2 262.419 0.140 20 0 CCADLP C[C@H](C[S@](C)=O)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351605110 356002718 /nfs/dbraw/zinc/00/27/18/356002718.db2.gz NETUPWHSQBAPMN-HSOHIQCKSA-N 2 2 262.419 0.140 20 0 CCADLP COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000559311871 291081710 /nfs/dbraw/zinc/08/17/10/291081710.db2.gz OMKRAUXFVHHOPE-IUODEOHRSA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)CNC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000559311871 291081713 /nfs/dbraw/zinc/08/17/13/291081713.db2.gz OMKRAUXFVHHOPE-IUODEOHRSA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)CNC(=O)[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000559311871 291081715 /nfs/dbraw/zinc/08/17/15/291081715.db2.gz OMKRAUXFVHHOPE-IUODEOHRSA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)CNC(=O)[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000559311871 291081717 /nfs/dbraw/zinc/08/17/17/291081717.db2.gz OMKRAUXFVHHOPE-IUODEOHRSA-N 2 2 297.399 0.082 20 0 CCADLP CC[N@@H+]1CCN(CC[NH+]2CCO[C@H](C)C2)[C@@H](C)C1 ZINC000352689257 356054664 /nfs/dbraw/zinc/05/46/64/356054664.db2.gz CYMFHHSHYPANQO-UONOGXRCSA-N 2 2 255.406 0.733 20 0 CCADLP CC[N@H+]1CCN(CC[NH+]2CCO[C@H](C)C2)[C@@H](C)C1 ZINC000352689257 356054670 /nfs/dbraw/zinc/05/46/70/356054670.db2.gz CYMFHHSHYPANQO-UONOGXRCSA-N 2 2 255.406 0.733 20 0 CCADLP CC[NH+]1CCN(CC[N@@H+]2CCO[C@H](C)C2)[C@@H](C)C1 ZINC000352689257 356054673 /nfs/dbraw/zinc/05/46/73/356054673.db2.gz CYMFHHSHYPANQO-UONOGXRCSA-N 2 2 255.406 0.733 20 0 CCADLP CC[NH+]1CCN(CC[N@H+]2CCO[C@H](C)C2)[C@@H](C)C1 ZINC000352689257 356054679 /nfs/dbraw/zinc/05/46/79/356054679.db2.gz CYMFHHSHYPANQO-UONOGXRCSA-N 2 2 255.406 0.733 20 0 CCADLP Cc1nnc(C[N@H+](C)CCCN2CC[NH+](C)CC2)s1 ZINC000352783354 356079041 /nfs/dbraw/zinc/07/90/41/356079041.db2.gz JPFVWDSUCSCMFW-UHFFFAOYSA-N 2 2 283.445 0.916 20 0 CCADLP Cc1nnc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)s1 ZINC000352783354 356079047 /nfs/dbraw/zinc/07/90/47/356079047.db2.gz JPFVWDSUCSCMFW-UHFFFAOYSA-N 2 2 283.445 0.916 20 0 CCADLP Cc1cc(NC(=O)NCCOCC[NH+](C)C)cc[nH+]1 ZINC000352877779 356101290 /nfs/dbraw/zinc/10/12/90/356101290.db2.gz QPLOODZMWTZFDC-UHFFFAOYSA-N 2 2 266.345 0.512 20 0 CCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCC2(O)CCOCC2)C1 ZINC000353040727 356145160 /nfs/dbraw/zinc/14/51/60/356145160.db2.gz VZWOCNWSWDNYMX-CYBMUJFWSA-N 2 2 272.389 0.228 20 0 CCADLP COCC[N@H+]1CC[C@@H]([NH2+]CCC2(O)CCOCC2)C1 ZINC000353040727 356145164 /nfs/dbraw/zinc/14/51/64/356145164.db2.gz VZWOCNWSWDNYMX-CYBMUJFWSA-N 2 2 272.389 0.228 20 0 CCADLP C[N@H+](Cc1cc(C(N)=O)cs1)C1CC[NH+](CCO)CC1 ZINC000353360650 356209191 /nfs/dbraw/zinc/20/91/91/356209191.db2.gz JQOJRWSMPCNPKF-UHFFFAOYSA-N 2 2 297.424 0.736 20 0 CCADLP C[N@@H+](Cc1cc(C(N)=O)cs1)C1CC[NH+](CCO)CC1 ZINC000353360650 356209193 /nfs/dbraw/zinc/20/91/93/356209193.db2.gz JQOJRWSMPCNPKF-UHFFFAOYSA-N 2 2 297.424 0.736 20 0 CCADLP [NH3+][C@H](CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)c1ccccc1 ZINC000360818751 138011912 /nfs/dbraw/zinc/01/19/12/138011912.db2.gz QHMHSOMNYLFLTR-GHMZBOCLSA-N 2 2 269.295 0.800 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+][C@@H](CO)C2CCOCC2)[C@@H](C)C1 ZINC000360813989 138011917 /nfs/dbraw/zinc/01/19/17/138011917.db2.gz IVCFBVKCPUSPGO-UBHSHLNASA-N 2 2 256.390 0.704 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](CO)C2CCOCC2)[C@@H](C)C1 ZINC000360813989 138011918 /nfs/dbraw/zinc/01/19/18/138011918.db2.gz IVCFBVKCPUSPGO-UBHSHLNASA-N 2 2 256.390 0.704 20 0 CCADLP COC(=O)CCC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000360908989 138015405 /nfs/dbraw/zinc/01/54/05/138015405.db2.gz AXGFBZJDZRZNEZ-UHFFFAOYSA-N 2 2 258.362 0.328 20 0 CCADLP COC(=O)CCC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000360908989 138015406 /nfs/dbraw/zinc/01/54/06/138015406.db2.gz AXGFBZJDZRZNEZ-UHFFFAOYSA-N 2 2 258.362 0.328 20 0 CCADLP CN1CC[N@H+](C)[C@@H](CNC(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000353502541 356241008 /nfs/dbraw/zinc/24/10/08/356241008.db2.gz PXFSHGBFBPZZEK-GJZGRUSLSA-N 2 2 296.459 0.613 20 0 CCADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000353502541 356241014 /nfs/dbraw/zinc/24/10/14/356241014.db2.gz PXFSHGBFBPZZEK-GJZGRUSLSA-N 2 2 296.459 0.613 20 0 CCADLP CN1CC[NH+](C)[C@@H](CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000353502541 356241016 /nfs/dbraw/zinc/24/10/16/356241016.db2.gz PXFSHGBFBPZZEK-GJZGRUSLSA-N 2 2 296.459 0.613 20 0 CCADLP CN1CC[NH+](C)[C@@H](CNC(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000353502541 356241021 /nfs/dbraw/zinc/24/10/21/356241021.db2.gz PXFSHGBFBPZZEK-GJZGRUSLSA-N 2 2 296.459 0.613 20 0 CCADLP CCn1cc(C[N@H+](CCO)CCCn2cc[nH+]c2)cn1 ZINC000361344951 138031063 /nfs/dbraw/zinc/03/10/63/138031063.db2.gz GYSQIFGMVKYMFD-UHFFFAOYSA-N 2 2 277.372 0.984 20 0 CCADLP CCn1cc(C[N@@H+](CCO)CCCn2cc[nH+]c2)cn1 ZINC000361344951 138031064 /nfs/dbraw/zinc/03/10/64/138031064.db2.gz GYSQIFGMVKYMFD-UHFFFAOYSA-N 2 2 277.372 0.984 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[NH+]1CCCC1 ZINC000353829764 356301006 /nfs/dbraw/zinc/30/10/06/356301006.db2.gz UREFFZHDNKAOKO-UHFFFAOYSA-N 2 2 250.346 0.565 20 0 CCADLP COC(=O)[C@]1(C)CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000362304033 138054232 /nfs/dbraw/zinc/05/42/32/138054232.db2.gz CVRTXRJEZDQFIX-CQSZACIVSA-N 2 2 280.372 0.871 20 0 CCADLP COC(=O)[C@]1(C)CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000362304033 138054233 /nfs/dbraw/zinc/05/42/33/138054233.db2.gz CVRTXRJEZDQFIX-CQSZACIVSA-N 2 2 280.372 0.871 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)C1CCOCC1 ZINC000354336133 356392350 /nfs/dbraw/zinc/39/23/50/356392350.db2.gz WAUKKCPRWRDMTB-GXTWGEPZSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)C1CCOCC1 ZINC000354336133 356392356 /nfs/dbraw/zinc/39/23/56/356392356.db2.gz WAUKKCPRWRDMTB-GXTWGEPZSA-N 2 2 283.416 0.731 20 0 CCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000362470324 138060865 /nfs/dbraw/zinc/06/08/65/138060865.db2.gz VNVDPBAPLBMDCE-ZIAGYGMSSA-N 2 2 283.416 0.507 20 0 CCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000362470324 138060866 /nfs/dbraw/zinc/06/08/66/138060866.db2.gz VNVDPBAPLBMDCE-ZIAGYGMSSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@H](C(=O)N1CCC[C@@H]1C[NH+](C)C)[NH+]1CCOCC1 ZINC000362505179 138061921 /nfs/dbraw/zinc/06/19/21/138061921.db2.gz DYURZKNAULZRII-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000362849886 138077533 /nfs/dbraw/zinc/07/75/33/138077533.db2.gz IJGOOLKYWAISQV-QWHCGFSZSA-N 2 2 291.399 0.252 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000362849886 138077534 /nfs/dbraw/zinc/07/75/34/138077534.db2.gz IJGOOLKYWAISQV-QWHCGFSZSA-N 2 2 291.399 0.252 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000362964962 138082901 /nfs/dbraw/zinc/08/29/01/138082901.db2.gz YKHVYFCKSXYHJR-FRRDWIJNSA-N 2 2 276.384 0.934 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000362964962 138082902 /nfs/dbraw/zinc/08/29/02/138082902.db2.gz YKHVYFCKSXYHJR-FRRDWIJNSA-N 2 2 276.384 0.934 20 0 CCADLP CCn1cc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cn1 ZINC000362682716 138069207 /nfs/dbraw/zinc/06/92/07/138069207.db2.gz FUUPLXLYOWSWAZ-CQSZACIVSA-N 2 2 291.399 0.299 20 0 CCADLP CCn1cc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cn1 ZINC000362682716 138069208 /nfs/dbraw/zinc/06/92/08/138069208.db2.gz FUUPLXLYOWSWAZ-CQSZACIVSA-N 2 2 291.399 0.299 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000362681432 138069260 /nfs/dbraw/zinc/06/92/60/138069260.db2.gz PEVUYHPSIQOYDZ-CQSZACIVSA-N 2 2 274.368 0.478 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000362681432 138069261 /nfs/dbraw/zinc/06/92/61/138069261.db2.gz PEVUYHPSIQOYDZ-CQSZACIVSA-N 2 2 274.368 0.478 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000362681431 138069506 /nfs/dbraw/zinc/06/95/06/138069506.db2.gz PEVUYHPSIQOYDZ-AWEZNQCLSA-N 2 2 274.368 0.478 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000362681431 138069507 /nfs/dbraw/zinc/06/95/07/138069507.db2.gz PEVUYHPSIQOYDZ-AWEZNQCLSA-N 2 2 274.368 0.478 20 0 CCADLP C[NH+](C)CC(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000363102115 138085567 /nfs/dbraw/zinc/08/55/67/138085567.db2.gz ZAYBLBYBBDZPKG-UHFFFAOYSA-N 2 2 259.313 0.445 20 0 CCADLP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)NC(=O)NC(C)(C)C)C2)C1 ZINC000366499954 283170200 /nfs/dbraw/zinc/17/02/00/283170200.db2.gz ZMNDPYMVPTVAEO-HNNXBMFYSA-N 2 2 296.415 0.638 20 0 CCADLP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)NC(=O)NC(C)(C)C)C2)C1 ZINC000366499954 283170202 /nfs/dbraw/zinc/17/02/02/283170202.db2.gz ZMNDPYMVPTVAEO-HNNXBMFYSA-N 2 2 296.415 0.638 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)NC(=O)NC(C)(C)C)C2)C1 ZINC000366499954 283170204 /nfs/dbraw/zinc/17/02/04/283170204.db2.gz ZMNDPYMVPTVAEO-HNNXBMFYSA-N 2 2 296.415 0.638 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C2)C1 ZINC000366499954 283170206 /nfs/dbraw/zinc/17/02/06/283170206.db2.gz ZMNDPYMVPTVAEO-HNNXBMFYSA-N 2 2 296.415 0.638 20 0 CCADLP C[C@@H](C(=O)N1CC[C@@H](C[NH+](C)C)C1)[NH+]1CCOCC1 ZINC000354948949 356534843 /nfs/dbraw/zinc/53/48/43/356534843.db2.gz BREJVRZXTPZJRG-STQMWFEESA-N 2 2 269.389 0.117 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157389 363475815 /nfs/dbraw/zinc/47/58/15/363475815.db2.gz HWVKTXNBWREZEM-LBPRGKRZSA-N 2 2 293.371 0.756 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157389 363475816 /nfs/dbraw/zinc/47/58/16/363475816.db2.gz HWVKTXNBWREZEM-LBPRGKRZSA-N 2 2 293.371 0.756 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000355094141 356575383 /nfs/dbraw/zinc/57/53/83/356575383.db2.gz YRKWNMVHLRDFJI-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000355094141 356575388 /nfs/dbraw/zinc/57/53/88/356575388.db2.gz YRKWNMVHLRDFJI-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000355094141 356575393 /nfs/dbraw/zinc/57/53/93/356575393.db2.gz YRKWNMVHLRDFJI-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000355094141 356575398 /nfs/dbraw/zinc/57/53/98/356575398.db2.gz YRKWNMVHLRDFJI-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NCCCn2cc[nH+]c2)no1 ZINC000355706647 356631744 /nfs/dbraw/zinc/63/17/44/356631744.db2.gz WRDLTGFVVUCQSI-UHFFFAOYSA-N 2 2 277.328 0.753 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N2CC[NH+](CC3CC3)CC2)no1 ZINC000355858249 356660916 /nfs/dbraw/zinc/66/09/16/356660916.db2.gz NQQHPIAEWUXCAG-UHFFFAOYSA-N 2 2 292.383 0.904 20 0 CCADLP CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000356115259 356705481 /nfs/dbraw/zinc/70/54/81/356705481.db2.gz IXDARVSHLBLLIH-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH+]1CCC(NC(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000356115259 356705483 /nfs/dbraw/zinc/70/54/83/356705483.db2.gz IXDARVSHLBLLIH-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000329026272 202158260 /nfs/dbraw/zinc/15/82/60/202158260.db2.gz OBMIDEZTRFSTFT-UONOGXRCSA-N 2 2 292.383 0.284 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000329026272 202158262 /nfs/dbraw/zinc/15/82/62/202158262.db2.gz OBMIDEZTRFSTFT-UONOGXRCSA-N 2 2 292.383 0.284 20 0 CCADLP C[C@H](CNC(=O)NCC[N@@H+]1CCOC[C@@H]1C)[NH+](C)C1CC1 ZINC000356334994 356748123 /nfs/dbraw/zinc/74/81/23/356748123.db2.gz NBZIWRNVXHEUBF-OLZOCXBDSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](CNC(=O)NCC[N@H+]1CCOC[C@@H]1C)[NH+](C)C1CC1 ZINC000356334994 356748124 /nfs/dbraw/zinc/74/81/24/356748124.db2.gz NBZIWRNVXHEUBF-OLZOCXBDSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](CNC(=O)NCC[NH+]1CCOC[C@@H]1C)[N@H+](C)C1CC1 ZINC000356334994 356748125 /nfs/dbraw/zinc/74/81/25/356748125.db2.gz NBZIWRNVXHEUBF-OLZOCXBDSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](CNC(=O)NCC[NH+]1CCOC[C@@H]1C)[N@@H+](C)C1CC1 ZINC000356334994 356748126 /nfs/dbraw/zinc/74/81/26/356748126.db2.gz NBZIWRNVXHEUBF-OLZOCXBDSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](C(=O)NCCc1cccs1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359275094 356791037 /nfs/dbraw/zinc/79/10/37/356791037.db2.gz BUHIRVNGMJAVCY-JHJVBQTASA-N 2 2 293.436 0.947 20 0 CCADLP Cc1cccc(CNC(=O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000359282637 356792867 /nfs/dbraw/zinc/79/28/67/356792867.db2.gz SRXSVTQVJZYOGN-GJZGRUSLSA-N 2 2 273.380 0.762 20 0 CCADLP CC[NH+](CC)[C@@H](C)CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000359878536 356913590 /nfs/dbraw/zinc/91/35/90/356913590.db2.gz PQVGTUMOCLTFNQ-JTQLQIEISA-N 2 2 266.393 0.810 20 0 CCADLP O=C(CCCC[NH+]1CCOCC1)NCC[NH+]1CCC1 ZINC000359886418 356915644 /nfs/dbraw/zinc/91/56/44/356915644.db2.gz LNQZGBJPCCJMQP-UHFFFAOYSA-N 2 2 269.389 0.311 20 0 CCADLP OC[C@@H]([NH2+]CC[NH+]1CCCCC1)C1CCOCC1 ZINC000359891787 356916178 /nfs/dbraw/zinc/91/61/78/356916178.db2.gz DKUNKBFJECWYLX-CQSZACIVSA-N 2 2 256.390 0.849 20 0 CCADLP C[NH+](CC1(C[N@@H+](C)[C@H]2CCOC2)COC1)[C@H]1CCOC1 ZINC000360028777 356936757 /nfs/dbraw/zinc/93/67/57/356936757.db2.gz XKABEYXCVZVHNM-KBPBESRZSA-N 2 2 284.400 0.444 20 0 CCADLP C[NH+](CC1(C[N@H+](C)[C@H]2CCOC2)COC1)[C@H]1CCOC1 ZINC000360028777 356936761 /nfs/dbraw/zinc/93/67/61/356936761.db2.gz XKABEYXCVZVHNM-KBPBESRZSA-N 2 2 284.400 0.444 20 0 CCADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)[C@H]1CSC[NH2+]1 ZINC000360205679 356969935 /nfs/dbraw/zinc/96/99/35/356969935.db2.gz WGZQPRLTEYJLSZ-SSDOTTSWSA-N 2 2 294.302 0.724 20 0 CCADLP CO[C@](C)(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C1CC1 ZINC000360326642 356992404 /nfs/dbraw/zinc/99/24/04/356992404.db2.gz HLJYSDVTUZNQMJ-INIZCTEOSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000360543297 357037383 /nfs/dbraw/zinc/03/73/83/357037383.db2.gz AVEIVABRSCRZGB-ZIAGYGMSSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000360543297 357037385 /nfs/dbraw/zinc/03/73/85/357037385.db2.gz AVEIVABRSCRZGB-ZIAGYGMSSA-N 2 2 295.427 0.792 20 0 CCADLP O=C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)NCC1CCC1 ZINC000360551164 357039244 /nfs/dbraw/zinc/03/92/44/357039244.db2.gz KONKPCIMOGGSIS-AWEZNQCLSA-N 2 2 251.374 0.588 20 0 CCADLP O=C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)NCC1CCC1 ZINC000360551164 357039248 /nfs/dbraw/zinc/03/92/48/357039248.db2.gz KONKPCIMOGGSIS-AWEZNQCLSA-N 2 2 251.374 0.588 20 0 CCADLP C[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC1 ZINC000363561304 357061899 /nfs/dbraw/zinc/06/18/99/357061899.db2.gz XNXCWPLLVJBCND-OAHLLOKOSA-N 2 2 295.427 0.651 20 0 CCADLP Cn1ncc2c1nc(N[C@H]1CC[N@@H+]3CCC[C@@H]3C1)[nH+]c2N ZINC000365051262 357135295 /nfs/dbraw/zinc/13/52/95/357135295.db2.gz GOFLHXHPTJUIAT-VHSXEESVSA-N 2 2 287.371 0.406 20 0 CCADLP Cn1ncc2c1nc(N[C@H]1CC[N@H+]3CCC[C@@H]3C1)[nH+]c2N ZINC000365051262 357135297 /nfs/dbraw/zinc/13/52/97/357135297.db2.gz GOFLHXHPTJUIAT-VHSXEESVSA-N 2 2 287.371 0.406 20 0 CCADLP CC(C)N1CC[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1=O ZINC000655728985 412651613 /nfs/dbraw/zinc/65/16/13/412651613.db2.gz AYJSJUFYOVAXQJ-HUUCEWRRSA-N 2 2 295.427 0.839 20 0 CCADLP CC[N@H+](CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC000366635453 357228500 /nfs/dbraw/zinc/22/85/00/357228500.db2.gz HBFLAEHLINDIQL-AWEZNQCLSA-N 2 2 281.400 0.404 20 0 CCADLP CC[N@@H+](CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC000366635453 357228504 /nfs/dbraw/zinc/22/85/04/357228504.db2.gz HBFLAEHLINDIQL-AWEZNQCLSA-N 2 2 281.400 0.404 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000367849919 357284597 /nfs/dbraw/zinc/28/45/97/357284597.db2.gz NTZUUSIUHBJTEO-INIZCTEOSA-N 2 2 297.443 0.947 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000367849919 357284601 /nfs/dbraw/zinc/28/46/01/357284601.db2.gz NTZUUSIUHBJTEO-INIZCTEOSA-N 2 2 297.443 0.947 20 0 CCADLP CCCCOCCNC(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000367849919 357284605 /nfs/dbraw/zinc/28/46/05/357284605.db2.gz NTZUUSIUHBJTEO-INIZCTEOSA-N 2 2 297.443 0.947 20 0 CCADLP CCCCOCCNC(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000367849919 357284608 /nfs/dbraw/zinc/28/46/08/357284608.db2.gz NTZUUSIUHBJTEO-INIZCTEOSA-N 2 2 297.443 0.947 20 0 CCADLP C[C@H](CCCO)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655722794 412652171 /nfs/dbraw/zinc/65/21/71/412652171.db2.gz IODKPBHULOBJEJ-OCCSQVGLSA-N 2 2 256.390 0.990 20 0 CCADLP C[N@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@H]1CCNC1=O ZINC000372523355 357378127 /nfs/dbraw/zinc/37/81/27/357378127.db2.gz QNGCIJLJUDXWTG-KKUMJFAQSA-N 2 2 288.395 0.895 20 0 CCADLP C[N@@H+](C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@H]1CCNC1=O ZINC000372523355 357378130 /nfs/dbraw/zinc/37/81/30/357378130.db2.gz QNGCIJLJUDXWTG-KKUMJFAQSA-N 2 2 288.395 0.895 20 0 CCADLP C[NH+](C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)[C@H]1CCNC1=O ZINC000372523355 357378134 /nfs/dbraw/zinc/37/81/34/357378134.db2.gz QNGCIJLJUDXWTG-KKUMJFAQSA-N 2 2 288.395 0.895 20 0 CCADLP C[NH+](C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)[C@H]1CCNC1=O ZINC000372523355 357378135 /nfs/dbraw/zinc/37/81/35/357378135.db2.gz QNGCIJLJUDXWTG-KKUMJFAQSA-N 2 2 288.395 0.895 20 0 CCADLP C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369275233 357343821 /nfs/dbraw/zinc/34/38/21/357343821.db2.gz WSUWGIMRTLHSIB-BZPMIXESSA-N 2 2 265.401 0.927 20 0 CCADLP C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369275233 357343825 /nfs/dbraw/zinc/34/38/25/357343825.db2.gz WSUWGIMRTLHSIB-BZPMIXESSA-N 2 2 265.401 0.927 20 0 CCADLP CO[C@@H](C)C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000374715045 357401463 /nfs/dbraw/zinc/40/14/63/357401463.db2.gz NBWCMGCPJIGQHH-AAEUAGOBSA-N 2 2 269.389 0.435 20 0 CCADLP CO[C@@H](C)C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000374715045 357401464 /nfs/dbraw/zinc/40/14/64/357401464.db2.gz NBWCMGCPJIGQHH-AAEUAGOBSA-N 2 2 269.389 0.435 20 0 CCADLP O=C(NCCC[NH+]1CCCC1)C1([NH+]2CCOCC2)CCC1 ZINC000376259414 357449372 /nfs/dbraw/zinc/44/93/72/357449372.db2.gz YZHHYJGDNIXIGG-UHFFFAOYSA-N 2 2 295.427 0.843 20 0 CCADLP COC[C@H](CO)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655764711 412655665 /nfs/dbraw/zinc/65/56/65/412655665.db2.gz PNWYWPBGNAVESN-KBPBESRZSA-N 2 2 272.389 0.227 20 0 CCADLP Cn1ccc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000449396032 236033330 /nfs/dbraw/zinc/03/33/30/236033330.db2.gz REENYVVTZRZINX-CQSZACIVSA-N 2 2 251.374 0.962 20 0 CCADLP Cn1ccc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)c1 ZINC000449396032 236033331 /nfs/dbraw/zinc/03/33/31/236033331.db2.gz REENYVVTZRZINX-CQSZACIVSA-N 2 2 251.374 0.962 20 0 CCADLP Cc1nc(NC[C@@H]2CCCC[N@@H+]2CCO)cc[nH+]1 ZINC000450618501 236101633 /nfs/dbraw/zinc/10/16/33/236101633.db2.gz SQHGUFZERLZFGR-LBPRGKRZSA-N 2 2 250.346 0.466 20 0 CCADLP Cc1nc(NC[C@@H]2CCCC[N@H+]2CCO)cc[nH+]1 ZINC000450618501 236101636 /nfs/dbraw/zinc/10/16/36/236101636.db2.gz SQHGUFZERLZFGR-LBPRGKRZSA-N 2 2 250.346 0.466 20 0 CCADLP Cn1ccc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)n1 ZINC000408152525 357943002 /nfs/dbraw/zinc/94/30/02/357943002.db2.gz BBRKQLXFGXPOMU-UHFFFAOYSA-N 2 2 294.399 0.079 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@H]2C=CCCC2)[C@H](C[NH3+])C1 ZINC000561190147 291119991 /nfs/dbraw/zinc/11/99/91/291119991.db2.gz UUWJXKQMYOJQKH-NWDGAFQWSA-N 2 2 252.362 0.379 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@H]2C=CCCC2)[C@H](C[NH3+])C1 ZINC000561190147 291119993 /nfs/dbraw/zinc/11/99/93/291119993.db2.gz UUWJXKQMYOJQKH-NWDGAFQWSA-N 2 2 252.362 0.379 20 0 CCADLP Cc1cc(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc[nH+]1 ZINC000455034122 236320461 /nfs/dbraw/zinc/32/04/61/236320461.db2.gz FLXNFYQOCIXCJO-AWEZNQCLSA-N 2 2 292.383 0.780 20 0 CCADLP Cc1cc(NC(=O)NC[C@@H]2CCCC[N@H+]2CCO)cc[nH+]1 ZINC000455034122 236320462 /nfs/dbraw/zinc/32/04/62/236320462.db2.gz FLXNFYQOCIXCJO-AWEZNQCLSA-N 2 2 292.383 0.780 20 0 CCADLP CCCC[N@H+](C)CC[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000561502460 291131040 /nfs/dbraw/zinc/13/10/40/291131040.db2.gz QBBHPBVRIOYBIA-UHFFFAOYSA-N 2 2 296.415 0.829 20 0 CCADLP CCCC[N@@H+](C)CC[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000561502460 291131042 /nfs/dbraw/zinc/13/10/42/291131042.db2.gz QBBHPBVRIOYBIA-UHFFFAOYSA-N 2 2 296.415 0.829 20 0 CCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000422032137 358189368 /nfs/dbraw/zinc/18/93/68/358189368.db2.gz DTIGXPMTGYUFMM-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000422032137 358189373 /nfs/dbraw/zinc/18/93/73/358189373.db2.gz DTIGXPMTGYUFMM-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP CNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000422742347 358192676 /nfs/dbraw/zinc/19/26/76/358192676.db2.gz ROFAEEZXTANGKN-SMDDNHRTSA-N 2 2 297.424 0.825 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000422820976 358192768 /nfs/dbraw/zinc/19/27/68/358192768.db2.gz TWRJFEBRBPXKOT-HIFRSBDPSA-N 3 2 268.449 0.600 20 0 CCADLP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)CC[NH2+]CC1 ZINC000422905445 358194743 /nfs/dbraw/zinc/19/47/43/358194743.db2.gz SCFWVMNBVFYEAW-ZIAGYGMSSA-N 3 2 297.443 0.992 20 0 CCADLP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)CC[NH2+]CC1 ZINC000422905445 358194744 /nfs/dbraw/zinc/19/47/44/358194744.db2.gz SCFWVMNBVFYEAW-ZIAGYGMSSA-N 3 2 297.443 0.992 20 0 CCADLP C[C@H](C[NH3+])C(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000423873598 358207099 /nfs/dbraw/zinc/20/70/99/358207099.db2.gz QWHWBJGLTVSLQB-DGCLKSJQSA-N 2 2 269.389 0.150 20 0 CCADLP C[C@H](C[NH3+])C(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000423873598 358207104 /nfs/dbraw/zinc/20/71/04/358207104.db2.gz QWHWBJGLTVSLQB-DGCLKSJQSA-N 2 2 269.389 0.150 20 0 CCADLP CCS(=O)(=O)NCC[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430546060 358227082 /nfs/dbraw/zinc/22/70/82/358227082.db2.gz COFKTXPQCXNSBV-LLVKDONJSA-N 2 2 265.423 0.231 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430546060 358227085 /nfs/dbraw/zinc/22/70/85/358227085.db2.gz COFKTXPQCXNSBV-LLVKDONJSA-N 2 2 265.423 0.231 20 0 CCADLP CC[NH2+]CCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000516568860 358340113 /nfs/dbraw/zinc/34/01/13/358340113.db2.gz GYQVWIUIZJPWSA-CQSZACIVSA-N 2 2 283.416 0.746 20 0 CCADLP CC[NH2+]CCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000516568860 358340118 /nfs/dbraw/zinc/34/01/18/358340118.db2.gz GYQVWIUIZJPWSA-CQSZACIVSA-N 2 2 283.416 0.746 20 0 CCADLP C[C@](O)(C[NH2+]C[C@H]1CCCC[N@@H+]1CCO)C(F)(F)F ZINC000514673447 358335299 /nfs/dbraw/zinc/33/52/99/358335299.db2.gz LALYAAJKRXCQOH-MNOVXSKESA-N 2 2 284.322 0.736 20 0 CCADLP C[C@](O)(C[NH2+]C[C@H]1CCCC[N@H+]1CCO)C(F)(F)F ZINC000514673447 358335302 /nfs/dbraw/zinc/33/53/02/358335302.db2.gz LALYAAJKRXCQOH-MNOVXSKESA-N 2 2 284.322 0.736 20 0 CCADLP Cc1nn(-c2cc[nH+]cc2)cc1CNC[C@@H]1COCC[NH2+]1 ZINC000530181228 358373434 /nfs/dbraw/zinc/37/34/34/358373434.db2.gz ISWJATITTDMICT-CQSZACIVSA-N 2 2 287.367 0.654 20 0 CCADLP CCCNC(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000374425943 283370157 /nfs/dbraw/zinc/37/01/57/283370157.db2.gz ATHALLMGDZSGIR-MELADBBJSA-N 2 2 283.416 0.696 20 0 CCADLP CCCNC(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000374425943 283370160 /nfs/dbraw/zinc/37/01/60/283370160.db2.gz ATHALLMGDZSGIR-MELADBBJSA-N 2 2 283.416 0.696 20 0 CCADLP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000530360560 358395264 /nfs/dbraw/zinc/39/52/64/358395264.db2.gz NAIANKIVFQIWIX-TZMCWYRMSA-N 2 2 264.373 0.454 20 0 CCADLP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000530360560 358395269 /nfs/dbraw/zinc/39/52/69/358395269.db2.gz NAIANKIVFQIWIX-TZMCWYRMSA-N 2 2 264.373 0.454 20 0 CCADLP CC[C@@H](C(=O)NCC[N@@H+]1CCO[C@H](C)C1)[NH+](CC)CC ZINC000531056544 358438573 /nfs/dbraw/zinc/43/85/73/358438573.db2.gz QIMOHVCCPRLHEO-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP CC[C@@H](C(=O)NCC[N@H+]1CCO[C@H](C)C1)[NH+](CC)CC ZINC000531056544 358438576 /nfs/dbraw/zinc/43/85/76/358438576.db2.gz QIMOHVCCPRLHEO-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP CC(C)[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)[C@H](O)C(F)(F)F ZINC000565657469 358565205 /nfs/dbraw/zinc/56/52/05/358565205.db2.gz AOEYNKJLOKWKER-SRVKXCTJSA-N 2 2 298.349 0.979 20 0 CCADLP CC(C)[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)[C@H](O)C(F)(F)F ZINC000565657469 358565209 /nfs/dbraw/zinc/56/52/09/358565209.db2.gz AOEYNKJLOKWKER-SRVKXCTJSA-N 2 2 298.349 0.979 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000567741735 358580225 /nfs/dbraw/zinc/58/02/25/358580225.db2.gz CAEYYBJGUPANMO-CABCVRRESA-N 3 2 269.433 0.907 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000567741735 358580229 /nfs/dbraw/zinc/58/02/29/358580229.db2.gz CAEYYBJGUPANMO-CABCVRRESA-N 3 2 269.433 0.907 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000567749381 358580772 /nfs/dbraw/zinc/58/07/72/358580772.db2.gz JAMRXIGRUQKSOK-UHFFFAOYSA-N 2 2 274.328 0.414 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000567749381 358580776 /nfs/dbraw/zinc/58/07/76/358580776.db2.gz JAMRXIGRUQKSOK-UHFFFAOYSA-N 2 2 274.328 0.414 20 0 CCADLP CC(C)[C@@H]1OCC[C@H]1C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000567892584 358607203 /nfs/dbraw/zinc/60/72/03/358607203.db2.gz SCYMPIPWVLWMRI-UPJWGTAASA-N 2 2 269.389 0.149 20 0 CCADLP CC(C)[C@@H]1OCC[C@H]1C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000567892584 358607208 /nfs/dbraw/zinc/60/72/08/358607208.db2.gz SCYMPIPWVLWMRI-UPJWGTAASA-N 2 2 269.389 0.149 20 0 CCADLP COc1ccc(C[NH2+]C[C@H]2C[NH2+]CCN2C)c(F)c1 ZINC000568006910 358624973 /nfs/dbraw/zinc/62/49/73/358624973.db2.gz WJXWPLRAIMAVMQ-GFCCVEGCSA-N 2 2 267.348 0.828 20 0 CCADLP C[C@@H](CC(=O)NC[C@@](C)(O)CC[NH+](C)C)n1cc[nH+]c1 ZINC000568146291 358635488 /nfs/dbraw/zinc/63/54/88/358635488.db2.gz JHFSXHCVEANTDP-JSGCOSHPSA-N 2 2 282.388 0.653 20 0 CCADLP CCO[C@@H]1C[C@@H]1[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000562487738 291155323 /nfs/dbraw/zinc/15/53/23/291155323.db2.gz ILFCYOOPFLLCHS-JKSUJKDBSA-N 2 2 297.443 0.550 20 0 CCADLP CCO[C@@H]1C[C@@H]1[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000562487738 291155325 /nfs/dbraw/zinc/15/53/25/291155325.db2.gz ILFCYOOPFLLCHS-JKSUJKDBSA-N 2 2 297.443 0.550 20 0 CCADLP C[NH2+][C@@H](C)C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000568233176 358653749 /nfs/dbraw/zinc/65/37/49/358653749.db2.gz GAYOANHPUAKSDV-ZDUSSCGKSA-N 2 2 291.395 0.947 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000568251284 358656929 /nfs/dbraw/zinc/65/69/29/358656929.db2.gz NESVJLMEVOKBJG-SECBINFHSA-N 2 2 274.328 0.795 20 0 CCADLP Cc1cccn2c(CN3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)c[nH+]c12 ZINC000568259346 358658860 /nfs/dbraw/zinc/65/88/60/358658860.db2.gz DFCKLEZGCWFNBI-OCCSQVGLSA-N 2 2 299.378 0.387 20 0 CCADLP Cc1cccn2c(C[N@@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)cnc12 ZINC000568259346 358658862 /nfs/dbraw/zinc/65/88/62/358658862.db2.gz DFCKLEZGCWFNBI-OCCSQVGLSA-N 2 2 299.378 0.387 20 0 CCADLP Cc1cccn2c(C[N@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)cnc12 ZINC000568259346 358658864 /nfs/dbraw/zinc/65/88/64/358658864.db2.gz DFCKLEZGCWFNBI-OCCSQVGLSA-N 2 2 299.378 0.387 20 0 CCADLP C[C@H](CC(=O)NC[C@H]1CC[N@H+](C)C1)n1cc[nH+]c1 ZINC000568398929 358672392 /nfs/dbraw/zinc/67/23/92/358672392.db2.gz SPQLWLXLBAHHIZ-VXGBXAGGSA-N 2 2 250.346 0.902 20 0 CCADLP C[C@H](CC(=O)NC[C@H]1CC[N@@H+](C)C1)n1cc[nH+]c1 ZINC000568398929 358672397 /nfs/dbraw/zinc/67/23/97/358672397.db2.gz SPQLWLXLBAHHIZ-VXGBXAGGSA-N 2 2 250.346 0.902 20 0 CCADLP CCC[NH2+]CCNC(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000418467594 283387941 /nfs/dbraw/zinc/38/79/41/283387941.db2.gz GIZRFFSGLMALEL-CYBMUJFWSA-N 2 2 286.420 0.396 20 0 CCADLP CCC[NH2+]CCNC(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000418467594 283387943 /nfs/dbraw/zinc/38/79/43/283387943.db2.gz GIZRFFSGLMALEL-CYBMUJFWSA-N 2 2 286.420 0.396 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000568608262 358688444 /nfs/dbraw/zinc/68/84/44/358688444.db2.gz ZSAAILULBVPURR-UONOGXRCSA-N 2 2 299.378 0.975 20 0 CCADLP C[C@](C[NH3+])([NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CC1 ZINC000568630766 358691624 /nfs/dbraw/zinc/69/16/24/358691624.db2.gz RHCGLJLEDLSPMP-HRCADAONSA-N 3 2 277.412 0.634 20 0 CCADLP CCC[NH2+]CC[NH2+][C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000423314498 283390483 /nfs/dbraw/zinc/39/04/83/283390483.db2.gz VWLRQHZEJBEJCC-NEPJUHHUSA-N 2 2 262.419 0.931 20 0 CCADLP CCO[C@@H](C)c1noc(CN2CC[NH+](CCC[NH3+])CC2)n1 ZINC000569344633 358755219 /nfs/dbraw/zinc/75/52/19/358755219.db2.gz UQEBBLMJYUXVJZ-LBPRGKRZSA-N 2 2 297.403 0.634 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCN(CC(F)F)CC1 ZINC000569065523 358730118 /nfs/dbraw/zinc/73/01/18/358730118.db2.gz NJLDKTCWWLTDDS-LBPRGKRZSA-N 2 2 279.375 0.572 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCN(CC(F)F)CC1 ZINC000569065523 358730122 /nfs/dbraw/zinc/73/01/22/358730122.db2.gz NJLDKTCWWLTDDS-LBPRGKRZSA-N 2 2 279.375 0.572 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000569065523 358730125 /nfs/dbraw/zinc/73/01/25/358730125.db2.gz NJLDKTCWWLTDDS-LBPRGKRZSA-N 2 2 279.375 0.572 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCN(CC(F)F)CC1 ZINC000569065523 358730127 /nfs/dbraw/zinc/73/01/27/358730127.db2.gz NJLDKTCWWLTDDS-LBPRGKRZSA-N 2 2 279.375 0.572 20 0 CCADLP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]([NH3+])c1cscn1 ZINC000569099189 358732512 /nfs/dbraw/zinc/73/25/12/358732512.db2.gz SQWZTUUHJDYDEM-KOLCDFICSA-N 2 2 270.402 0.989 20 0 CCADLP Cc1ccc(OCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1C ZINC000569602927 358778700 /nfs/dbraw/zinc/77/87/00/358778700.db2.gz RYUCOODWDUZLIF-AWEZNQCLSA-N 2 2 291.395 0.784 20 0 CCADLP Cc1ccc(OCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1C ZINC000569602927 358778703 /nfs/dbraw/zinc/77/87/03/358778703.db2.gz RYUCOODWDUZLIF-AWEZNQCLSA-N 2 2 291.395 0.784 20 0 CCADLP [NH3+][C@H]1CCc2nc(NC(=O)[C@H]3CSC[NH2+]3)sc2C1 ZINC000569607148 358779488 /nfs/dbraw/zinc/77/94/88/358779488.db2.gz VWFIRBMIANNQCS-POYBYMJQSA-N 2 2 284.410 0.560 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]C2CC(C)(F)C2)C[C@@H](C)O1 ZINC000569837389 358798672 /nfs/dbraw/zinc/79/86/72/358798672.db2.gz OFSFYQYEKYUPMC-WCCYQHBJSA-N 2 2 274.380 0.937 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2C[C@H]2C2CC2)C[C@@H](C)O1 ZINC000569961478 358809253 /nfs/dbraw/zinc/80/92/53/358809253.db2.gz BPJSMXFPYKSUOC-SOMZYNEFSA-N 2 2 268.401 0.845 20 0 CCADLP CC(C)(CNC(=O)CCCn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000620411851 366493768 /nfs/dbraw/zinc/49/37/68/366493768.db2.gz YBOBAMYIECSZAU-UHFFFAOYSA-N 2 2 294.399 0.890 20 0 CCADLP C[N@H+]1C[C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)nn3)C[C@H]2C1 ZINC000570345983 358849651 /nfs/dbraw/zinc/84/96/51/358849651.db2.gz IGHSVHNBFNWTDZ-TXEJJXNPSA-N 2 2 298.350 0.296 20 0 CCADLP C[N@@H+]1C[C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)nn3)C[C@H]2C1 ZINC000570345983 358849656 /nfs/dbraw/zinc/84/96/56/358849656.db2.gz IGHSVHNBFNWTDZ-TXEJJXNPSA-N 2 2 298.350 0.296 20 0 CCADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)[C@H]1OC ZINC000570626939 358875143 /nfs/dbraw/zinc/87/51/43/358875143.db2.gz 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20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262224086 296023830 /nfs/dbraw/zinc/02/38/30/296023830.db2.gz UUPKRXWRSPVGNY-OLZOCXBDSA-N 3 2 268.405 0.010 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262224086 296023832 /nfs/dbraw/zinc/02/38/32/296023832.db2.gz UUPKRXWRSPVGNY-OLZOCXBDSA-N 3 2 268.405 0.010 20 0 CCADLP Cc1ncsc1CCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000563604543 291241324 /nfs/dbraw/zinc/24/13/24/291241324.db2.gz VVCGUBCVVWMQBE-LLVKDONJSA-N 2 2 297.428 0.278 20 0 CCADLP Cc1ncsc1CCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000563604543 291241325 /nfs/dbraw/zinc/24/13/25/291241325.db2.gz VVCGUBCVVWMQBE-LLVKDONJSA-N 2 2 297.428 0.278 20 0 CCADLP COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000597186633 361026474 /nfs/dbraw/zinc/02/64/74/361026474.db2.gz KISYETJLHWLJAW-WCQYABFASA-N 2 2 275.308 0.754 20 0 CCADLP CS[C@H](C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000597990195 361299421 /nfs/dbraw/zinc/29/94/21/361299421.db2.gz QSRDNPDDKLLWPB-LLVKDONJSA-N 2 2 261.435 0.738 20 0 CCADLP CS[C@H](C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000597990195 361299425 /nfs/dbraw/zinc/29/94/25/361299425.db2.gz QSRDNPDDKLLWPB-LLVKDONJSA-N 2 2 261.435 0.738 20 0 CCADLP CNS(=O)(=O)CC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000621272437 366696701 /nfs/dbraw/zinc/69/67/01/366696701.db2.gz RMHQDWMKUVFOQS-UHFFFAOYSA-N 2 2 275.418 0.096 20 0 CCADLP CNS(=O)(=O)CC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000621272437 366696708 /nfs/dbraw/zinc/69/67/08/366696708.db2.gz RMHQDWMKUVFOQS-UHFFFAOYSA-N 2 2 275.418 0.096 20 0 CCADLP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000631824241 370689711 /nfs/dbraw/zinc/68/97/11/370689711.db2.gz ZELWJKXULLGBOU-MJBXVCDLSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000631824241 370689716 /nfs/dbraw/zinc/68/97/16/370689716.db2.gz ZELWJKXULLGBOU-MJBXVCDLSA-N 2 2 281.400 0.308 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](C[C@H]2CCCCO2)C1 ZINC000631823277 370688285 /nfs/dbraw/zinc/68/82/85/370688285.db2.gz AGXQDVXQLBMDPM-ZIAGYGMSSA-N 2 2 281.400 0.452 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000631823277 370688291 /nfs/dbraw/zinc/68/82/91/370688291.db2.gz AGXQDVXQLBMDPM-ZIAGYGMSSA-N 2 2 281.400 0.452 20 0 CCADLP Cc1cccc(COCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000621624750 366811114 /nfs/dbraw/zinc/81/11/14/366811114.db2.gz WETKZAUWQWYQOF-HNNXBMFYSA-N 2 2 291.395 0.613 20 0 CCADLP Cc1cccc(COCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000621624750 366811125 /nfs/dbraw/zinc/81/11/25/366811125.db2.gz WETKZAUWQWYQOF-HNNXBMFYSA-N 2 2 291.395 0.613 20 0 CCADLP C[C@@H](CNC(=O)CC[C@H]1CCC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000621653363 366817957 /nfs/dbraw/zinc/81/79/57/366817957.db2.gz WFZXNISHQMOFJV-LSDHHAIUSA-N 2 2 296.459 0.518 20 0 CCADLP CC(C)N1CCC[C@H]([NH+]2CCN(c3[nH]cc[nH+]3)CC2)C1=O ZINC000564408380 291278637 /nfs/dbraw/zinc/27/86/37/291278637.db2.gz DMVPAKQFYOINSF-ZDUSSCGKSA-N 2 2 291.399 0.931 20 0 CCADLP COC(=O)CCNC(=O)CC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000599087749 361569599 /nfs/dbraw/zinc/56/95/99/361569599.db2.gz GGTQXUHTVHCXQZ-WCQYABFASA-N 2 2 297.399 0.128 20 0 CCADLP COC(=O)CCNC(=O)CC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000599087749 361569601 /nfs/dbraw/zinc/56/96/01/361569601.db2.gz GGTQXUHTVHCXQZ-WCQYABFASA-N 2 2 297.399 0.128 20 0 CCADLP Cc1ccc(CCC[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)c[nH+]1 ZINC000564459242 291281350 /nfs/dbraw/zinc/28/13/50/291281350.db2.gz RLSCQTUZJQFLGU-CQSZACIVSA-N 2 2 297.424 0.946 20 0 CCADLP [NH3+]CC[N@H+](C[C@@H](O)CO)C[C@H]1CCC(F)(F)C1 ZINC000631829236 370696410 /nfs/dbraw/zinc/69/64/10/370696410.db2.gz LKMQLKVBATZRBK-VHSXEESVSA-N 2 2 252.305 0.036 20 0 CCADLP [NH3+]CC[N@@H+](C[C@@H](O)CO)C[C@H]1CCC(F)(F)C1 ZINC000631829236 370696414 /nfs/dbraw/zinc/69/64/14/370696414.db2.gz LKMQLKVBATZRBK-VHSXEESVSA-N 2 2 252.305 0.036 20 0 CCADLP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2CCC[C@@](C)(F)C2)C1=O ZINC000564632339 291289320 /nfs/dbraw/zinc/28/93/20/291289320.db2.gz XERJXPFYQGAHJZ-SMDDNHRTSA-N 2 2 285.363 0.500 20 0 CCADLP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2CCC[C@@](C)(F)C2)C1=O ZINC000564632339 291289323 /nfs/dbraw/zinc/28/93/23/291289323.db2.gz XERJXPFYQGAHJZ-SMDDNHRTSA-N 2 2 285.363 0.500 20 0 CCADLP CCn1cnc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000611972939 363820289 /nfs/dbraw/zinc/82/02/89/363820289.db2.gz DLWNFKQMDGYLSQ-UHFFFAOYSA-N 2 2 293.415 0.659 20 0 CCADLP CN(C)C(=O)OC1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000495797734 239393525 /nfs/dbraw/zinc/39/35/25/239393525.db2.gz HIDKLSRLRAEGGR-CYBMUJFWSA-N 2 2 299.415 0.604 20 0 CCADLP CN(C)C(=O)OC1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000495797734 239393531 /nfs/dbraw/zinc/39/35/31/239393531.db2.gz HIDKLSRLRAEGGR-CYBMUJFWSA-N 2 2 299.415 0.604 20 0 CCADLP C[C@]1(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC[NH2+]C1 ZINC000612876518 364031131 /nfs/dbraw/zinc/03/11/31/364031131.db2.gz PZXIQUSICIGGJX-AWEZNQCLSA-N 2 2 284.404 0.148 20 0 CCADLP C[C@]1(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC[NH2+]C1 ZINC000612876518 364031138 /nfs/dbraw/zinc/03/11/38/364031138.db2.gz PZXIQUSICIGGJX-AWEZNQCLSA-N 2 2 284.404 0.148 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612970269 364058337 /nfs/dbraw/zinc/05/83/37/364058337.db2.gz LHMSBFPSWPOZJO-OLZOCXBDSA-N 2 2 296.415 0.148 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612970269 364058341 /nfs/dbraw/zinc/05/83/41/364058341.db2.gz LHMSBFPSWPOZJO-OLZOCXBDSA-N 2 2 296.415 0.148 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)NCC(F)(F)F)C[C@H]1C[NH3+] ZINC000631844214 370710247 /nfs/dbraw/zinc/71/02/47/370710247.db2.gz VXWPQXQFJDQIQE-HTQZYQBOSA-N 2 2 253.268 0.192 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)NCC(F)(F)F)C[C@H]1C[NH3+] ZINC000631844214 370710252 /nfs/dbraw/zinc/71/02/52/370710252.db2.gz VXWPQXQFJDQIQE-HTQZYQBOSA-N 2 2 253.268 0.192 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000631866157 370726369 /nfs/dbraw/zinc/72/63/69/370726369.db2.gz URHCAPCBHWPJIG-MWLCHTKSSA-N 2 2 252.305 0.313 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000631866157 370726372 /nfs/dbraw/zinc/72/63/72/370726372.db2.gz URHCAPCBHWPJIG-MWLCHTKSSA-N 2 2 252.305 0.313 20 0 CCADLP O=C(C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2)NC[C@@H]1CCCO1 ZINC000631868028 370727254 /nfs/dbraw/zinc/72/72/54/370727254.db2.gz TYRWWUSBZWZVPT-DYEKYZERSA-N 2 2 267.373 0.013 20 0 CCADLP O=C(NC[C@H]1CC[NH2+]CC1(F)F)N1CCn2c[nH+]cc2C1 ZINC000564841802 291305763 /nfs/dbraw/zinc/30/57/63/291305763.db2.gz NCLMDXDXDXGHJS-SNVBAGLBSA-N 2 2 299.325 0.653 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621682095 366833277 /nfs/dbraw/zinc/83/32/77/366833277.db2.gz ZMYYYDNETVENSO-FMKPAKJESA-N 2 2 295.427 0.827 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621682095 366833284 /nfs/dbraw/zinc/83/32/84/366833284.db2.gz ZMYYYDNETVENSO-FMKPAKJESA-N 2 2 295.427 0.827 20 0 CCADLP C[NH+](C)C[C@]1(O)CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000614065359 364483482 /nfs/dbraw/zinc/48/34/82/364483482.db2.gz NARXTQSXGKLBGX-CQSZACIVSA-N 2 2 280.372 0.257 20 0 CCADLP C[NH+](C)C[C@]1(O)CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000614065359 364483488 /nfs/dbraw/zinc/48/34/88/364483488.db2.gz NARXTQSXGKLBGX-CQSZACIVSA-N 2 2 280.372 0.257 20 0 CCADLP C[C@H](CC(=O)N1CCC[C@@](O)(C[NH+](C)C)C1)n1cc[nH+]c1 ZINC000614071119 364489522 /nfs/dbraw/zinc/48/95/22/364489522.db2.gz ODRDBHANLGMJMF-UKRRQHHQSA-N 2 2 294.399 0.749 20 0 CCADLP C[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621726504 366854711 /nfs/dbraw/zinc/85/47/11/366854711.db2.gz ZBZOVZRIYYSEDH-JTQLQIEISA-N 2 2 250.346 0.898 20 0 CCADLP C[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000621726504 366854717 /nfs/dbraw/zinc/85/47/17/366854717.db2.gz ZBZOVZRIYYSEDH-JTQLQIEISA-N 2 2 250.346 0.898 20 0 CCADLP C[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000621726504 366854720 /nfs/dbraw/zinc/85/47/20/366854720.db2.gz ZBZOVZRIYYSEDH-JTQLQIEISA-N 2 2 250.346 0.898 20 0 CCADLP C[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000621726504 366854723 /nfs/dbraw/zinc/85/47/23/366854723.db2.gz ZBZOVZRIYYSEDH-JTQLQIEISA-N 2 2 250.346 0.898 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000614092202 364500937 /nfs/dbraw/zinc/50/09/37/364500937.db2.gz IJTNKRQUGVINOP-QWHCGFSZSA-N 2 2 280.347 0.607 20 0 CCADLP CCn1cc(CC[N@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cn1 ZINC000621776872 366863360 /nfs/dbraw/zinc/86/33/60/366863360.db2.gz YSCMPCDQUKLGEV-LSDHHAIUSA-N 2 2 288.399 0.606 20 0 CCADLP CCn1cc(CC[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cn1 ZINC000621776872 366863366 /nfs/dbraw/zinc/86/33/66/366863366.db2.gz YSCMPCDQUKLGEV-LSDHHAIUSA-N 2 2 288.399 0.606 20 0 CCADLP [NH3+][C@H](C(=O)NCC1([NH3+])CCCCC1)c1cscn1 ZINC000564946980 291322929 /nfs/dbraw/zinc/32/29/29/291322929.db2.gz DLBQGBWCLPDDRD-JTQLQIEISA-N 2 2 268.386 0.921 20 0 CCADLP NC(=O)CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000564975360 291328843 /nfs/dbraw/zinc/32/88/43/291328843.db2.gz LTFXQJGDVJYZGB-LSDHHAIUSA-N 2 2 291.395 0.334 20 0 CCADLP NC(=O)CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000564975360 291328844 /nfs/dbraw/zinc/32/88/44/291328844.db2.gz LTFXQJGDVJYZGB-LSDHHAIUSA-N 2 2 291.395 0.334 20 0 CCADLP C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000615271511 364901937 /nfs/dbraw/zinc/90/19/37/364901937.db2.gz XRWXACWEHYFANK-KBPBESRZSA-N 2 2 292.383 0.664 20 0 CCADLP C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000615271511 364901941 /nfs/dbraw/zinc/90/19/41/364901941.db2.gz XRWXACWEHYFANK-KBPBESRZSA-N 2 2 292.383 0.664 20 0 CCADLP C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000615271511 364901942 /nfs/dbraw/zinc/90/19/42/364901942.db2.gz XRWXACWEHYFANK-KBPBESRZSA-N 2 2 292.383 0.664 20 0 CCADLP C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000615271511 364901945 /nfs/dbraw/zinc/90/19/45/364901945.db2.gz XRWXACWEHYFANK-KBPBESRZSA-N 2 2 292.383 0.664 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)OC)CC2)C1 ZINC000496577483 240207749 /nfs/dbraw/zinc/20/77/49/240207749.db2.gz KTLUDMPNYWWLMV-GFCCVEGCSA-N 2 2 255.362 0.901 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)OC)CC2)C1 ZINC000496577483 240207765 /nfs/dbraw/zinc/20/77/65/240207765.db2.gz KTLUDMPNYWWLMV-GFCCVEGCSA-N 2 2 255.362 0.901 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615549826 365003193 /nfs/dbraw/zinc/00/31/93/365003193.db2.gz ULERZRIXGNSNFZ-AWEZNQCLSA-N 2 2 292.383 0.596 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@@H]21 ZINC000615850809 365110398 /nfs/dbraw/zinc/11/03/98/365110398.db2.gz SVHNDMNUAIVYRK-UPJWGTAASA-N 2 2 274.368 0.608 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@@H]21 ZINC000615850809 365110404 /nfs/dbraw/zinc/11/04/04/365110404.db2.gz SVHNDMNUAIVYRK-UPJWGTAASA-N 2 2 274.368 0.608 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000616307764 365257855 /nfs/dbraw/zinc/25/78/55/365257855.db2.gz XQKHSBFNTPTYGG-VXGBXAGGSA-N 2 2 262.357 0.656 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000616307764 365257859 /nfs/dbraw/zinc/25/78/59/365257859.db2.gz XQKHSBFNTPTYGG-VXGBXAGGSA-N 2 2 262.357 0.656 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000616307763 365258001 /nfs/dbraw/zinc/25/80/01/365258001.db2.gz XQKHSBFNTPTYGG-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000616307763 365258004 /nfs/dbraw/zinc/25/80/04/365258004.db2.gz XQKHSBFNTPTYGG-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000275550033 193072045 /nfs/dbraw/zinc/07/20/45/193072045.db2.gz SGDBOVOUFIBVBY-WDEREUQCSA-N 2 2 254.309 0.432 20 0 CCADLP O=C(NCCNc1cccc[nH+]1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000275563539 193076209 /nfs/dbraw/zinc/07/62/09/193076209.db2.gz WFSKWPQLIMFGBH-VHSXEESVSA-N 2 2 252.293 0.310 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)CCO1 ZINC000621784827 366867935 /nfs/dbraw/zinc/86/79/35/366867935.db2.gz VNHMQCKPGYHCKW-RDBSUJKOSA-N 2 2 253.390 0.520 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)CCO1 ZINC000621784827 366867937 /nfs/dbraw/zinc/86/79/37/366867937.db2.gz VNHMQCKPGYHCKW-RDBSUJKOSA-N 2 2 253.390 0.520 20 0 CCADLP CN(C)c1cc(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)cc[nH+]1 ZINC000275802954 193132967 /nfs/dbraw/zinc/13/29/67/193132967.db2.gz TUTPLQMNHZWZGM-WCBMZHEXSA-N 2 2 252.293 0.786 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000617007363 365513629 /nfs/dbraw/zinc/51/36/29/365513629.db2.gz RKVSTMBQPIOICR-LLVKDONJSA-N 2 2 250.346 0.872 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC000617007363 365513637 /nfs/dbraw/zinc/51/36/37/365513637.db2.gz RKVSTMBQPIOICR-LLVKDONJSA-N 2 2 250.346 0.872 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)C[NH+]2CC(C)(C)C2)[C@@H](C)C1 ZINC000565196638 291356973 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[NH3+][C@@H]1CCC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000623177711 367466484 /nfs/dbraw/zinc/46/64/84/367466484.db2.gz LFRMCUSUIJXKCE-QJPTWQEYSA-N 2 2 262.357 0.832 20 0 CCADLP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623179188 367467525 /nfs/dbraw/zinc/46/75/25/367467525.db2.gz BDZMMKMQBBKVAG-QWRGUYRKSA-N 2 2 264.373 0.935 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1CCCc2cn[nH]c21)C[NH+]1CCCC1 ZINC000623182243 367469653 /nfs/dbraw/zinc/46/96/53/367469653.db2.gz HWZBSOIKMNAICD-QWHCGFSZSA-N 2 2 264.373 0.833 20 0 CCADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000623257732 367495145 /nfs/dbraw/zinc/49/51/45/367495145.db2.gz SLERLAGCBIKTDK-GHMZBOCLSA-N 2 2 271.324 0.383 20 0 CCADLP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H]1Cc3c[nH+]cn3C1)CC2 ZINC000623259090 367496932 /nfs/dbraw/zinc/49/69/32/367496932.db2.gz QTDKOXOTLXDHKB-NEPJUHHUSA-N 2 2 285.351 0.692 20 0 CCADLP C[C@@H]1[NH2+]CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC000623178632 367465751 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Cc1nc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cs1 ZINC000623617744 367603555 /nfs/dbraw/zinc/60/35/55/367603555.db2.gz MNBRJURLNUJSQS-LBPRGKRZSA-N 2 2 282.413 0.881 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000623565307 367592664 /nfs/dbraw/zinc/59/26/64/367592664.db2.gz ISFFWEUUECJJBE-BFHYXJOUSA-N 2 2 296.415 0.243 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000623565307 367592669 /nfs/dbraw/zinc/59/26/69/367592669.db2.gz ISFFWEUUECJJBE-BFHYXJOUSA-N 2 2 296.415 0.243 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000623565307 367592676 /nfs/dbraw/zinc/59/26/76/367592676.db2.gz ISFFWEUUECJJBE-BFHYXJOUSA-N 2 2 296.415 0.243 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000623565307 367592685 /nfs/dbraw/zinc/59/26/85/367592685.db2.gz ISFFWEUUECJJBE-BFHYXJOUSA-N 2 2 296.415 0.243 20 0 CCADLP O[C@@H]1CC[N@@H+](CC[NH2+]Cc2ccc3c(c2)OCCO3)C1 ZINC000623756988 367644395 /nfs/dbraw/zinc/64/43/95/367644395.db2.gz LNQIYYGRCGXFOG-CYBMUJFWSA-N 2 2 278.352 0.614 20 0 CCADLP C[N@@H+]1CCCC[C@H](C[NH2+][C@H]2CCCS(=O)(=O)C2)C1 ZINC000624122621 367759704 /nfs/dbraw/zinc/75/97/04/367759704.db2.gz WZPXJUUXCKHMMR-OLZOCXBDSA-N 2 2 274.430 0.885 20 0 CCADLP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCCS(=O)(=O)C2)C1 ZINC000624122621 367759708 /nfs/dbraw/zinc/75/97/08/367759708.db2.gz WZPXJUUXCKHMMR-OLZOCXBDSA-N 2 2 274.430 0.885 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000624228875 367796042 /nfs/dbraw/zinc/79/60/42/367796042.db2.gz FCRVDUHTQCLBQB-IACUBPJLSA-N 2 2 253.390 0.125 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCN1CC[C@@H](O)C1 ZINC000624228875 367796047 /nfs/dbraw/zinc/79/60/47/367796047.db2.gz FCRVDUHTQCLBQB-IACUBPJLSA-N 2 2 253.390 0.125 20 0 CCADLP C[NH+](C)C1CCC(NC(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000624229832 367796584 /nfs/dbraw/zinc/79/65/84/367796584.db2.gz FBXAFPUIIYODBN-RUXDESIVSA-N 2 2 298.431 0.489 20 0 CCADLP C[NH+](C)C1CCC(NC(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000624229832 367796588 /nfs/dbraw/zinc/79/65/88/367796588.db2.gz FBXAFPUIIYODBN-RUXDESIVSA-N 2 2 298.431 0.489 20 0 CCADLP O[C@@H]1CC[N@H+](CCNc2cc(NC3CC3)[nH+]cn2)C1 ZINC000624678514 367952747 /nfs/dbraw/zinc/95/27/47/367952747.db2.gz IBBJMOZZWCOGDY-LLVKDONJSA-N 2 2 263.345 0.529 20 0 CCADLP O[C@@H]1CC[N@@H+](CCNc2cc(NC3CC3)[nH+]cn2)C1 ZINC000624678514 367952750 /nfs/dbraw/zinc/95/27/50/367952750.db2.gz IBBJMOZZWCOGDY-LLVKDONJSA-N 2 2 263.345 0.529 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624741829 367981167 /nfs/dbraw/zinc/98/11/67/367981167.db2.gz VSUCZDYSIRQVBY-ZDUSSCGKSA-N 2 2 295.387 0.245 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000624741829 367981173 /nfs/dbraw/zinc/98/11/73/367981173.db2.gz VSUCZDYSIRQVBY-ZDUSSCGKSA-N 2 2 295.387 0.245 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H]1CCC[N@H+](C)C1)CC2 ZINC000625295495 368137917 /nfs/dbraw/zinc/13/79/17/368137917.db2.gz BAEQICPCPAUFSA-OLZOCXBDSA-N 2 2 276.384 0.964 20 0 CCADLP CC(C)(O)CC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625543926 368238075 /nfs/dbraw/zinc/23/80/75/368238075.db2.gz HUUBQNDMJJIOHM-UHFFFAOYSA-N 2 2 256.390 0.944 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N(C)CCCn1cc[nH+]c1 ZINC000626182933 368480176 /nfs/dbraw/zinc/48/01/76/368480176.db2.gz GIZKLEXABCNFGG-UHFFFAOYSA-N 2 2 261.329 0.937 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000626495203 368564607 /nfs/dbraw/zinc/56/46/07/368564607.db2.gz OXKDRVLFTAJGLB-ZDUSSCGKSA-N 2 2 293.415 0.334 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000626495203 368564613 /nfs/dbraw/zinc/56/46/13/368564613.db2.gz OXKDRVLFTAJGLB-ZDUSSCGKSA-N 2 2 293.415 0.334 20 0 CCADLP [NH3+]CCCOCCNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000626923738 368679423 /nfs/dbraw/zinc/67/94/23/368679423.db2.gz RTDQQRYJWVOCJA-UHFFFAOYSA-N 2 2 291.355 0.499 20 0 CCADLP CCN(CC[NH3+])C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000627017069 368738759 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C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000627105294 368799490 /nfs/dbraw/zinc/79/94/90/368799490.db2.gz DYXIFBZIMYPGPY-SYQHCUMBSA-N 2 2 296.415 0.004 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@]2(C)C[C@H]3C[C@H]3C2)[C@H](C[NH3+])C1 ZINC000627222042 368892892 /nfs/dbraw/zinc/89/28/92/368892892.db2.gz JWEYHORDPSBKAO-QVHKTLOISA-N 2 2 280.416 0.707 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@]2(C)C[C@H]3C[C@H]3C2)[C@H](C[NH3+])C1 ZINC000627222042 368892898 /nfs/dbraw/zinc/89/28/98/368892898.db2.gz JWEYHORDPSBKAO-QVHKTLOISA-N 2 2 280.416 0.707 20 0 CCADLP CC[C@@H]1CN(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC[C@@H]1[NH3+] ZINC000627183560 368853759 /nfs/dbraw/zinc/85/37/59/368853759.db2.gz MFHCVYJNBZFOKV-UPJWGTAASA-N 2 2 284.404 0.086 20 0 CCADLP CC[C@@H]1CN(C(=O)NC[C@@H]2COCC[N@H+]2C)CC[C@@H]1[NH3+] ZINC000627183560 368853766 /nfs/dbraw/zinc/85/37/66/368853766.db2.gz MFHCVYJNBZFOKV-UPJWGTAASA-N 2 2 284.404 0.086 20 0 CCADLP Cc1ccc(CCNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])nc1 ZINC000574261510 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COCc1noc([C@H](C)[N@@H+](C)CCOCC[NH3+])n1 ZINC000629580474 369724340 /nfs/dbraw/zinc/72/43/40/369724340.db2.gz DANAXYXESYOEQU-VIFPVBQESA-N 2 2 258.322 0.184 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629593196 369732299 /nfs/dbraw/zinc/73/22/99/369732299.db2.gz IGBFWKKIZGIHLA-KFWWJZLASA-N 2 2 267.417 0.639 20 0 CCADLP COC(=O)[C@@H]1C[C@H](OC)C[N@H+]1CCn1cc[nH+]c1C ZINC000346325802 284185762 /nfs/dbraw/zinc/18/57/62/284185762.db2.gz MDVXWEAAWSCARV-RYUDHWBXSA-N 2 2 267.329 0.454 20 0 CCADLP COC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1CCn1cc[nH+]c1C ZINC000346325802 284185763 /nfs/dbraw/zinc/18/57/63/284185763.db2.gz MDVXWEAAWSCARV-RYUDHWBXSA-N 2 2 267.329 0.454 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000630528712 370148643 /nfs/dbraw/zinc/14/86/43/370148643.db2.gz MFMGJZLUSIUMGL-NWDGAFQWSA-N 2 2 277.372 0.866 20 0 CCADLP COC1CC[NH+](Cc2cn(CC[NH+]3CCCC3)nn2)CC1 ZINC000630617370 370213889 /nfs/dbraw/zinc/21/38/89/370213889.db2.gz AHRAIJUYUNDRRZ-UHFFFAOYSA-N 2 2 293.415 0.985 20 0 CCADLP CC(C)n1ncnc1C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000631036097 370365110 /nfs/dbraw/zinc/36/51/10/370365110.db2.gz WFUCEPPEFDEJJO-UHFFFAOYSA-N 2 2 280.420 0.586 20 0 CCADLP Cc1nc(NC[C@@H](c2ccsc2)[NH+](C)C)nc(N)[nH+]1 ZINC000631055629 370369846 /nfs/dbraw/zinc/36/98/46/370369846.db2.gz VSBCNZLBPBZPKX-JTQLQIEISA-N 2 2 278.385 0.791 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNc2[nH+]c(C3CC3)nc3[nH]ccc32)C1 ZINC000631082927 370379751 /nfs/dbraw/zinc/37/97/51/370379751.db2.gz JMDXXLOSWVYEPO-NSHDSACASA-N 2 2 287.367 1.000 20 0 CCADLP C[N@H+]1CCO[C@@H](CNc2[nH+]c(C3CC3)nc3[nH]ccc32)C1 ZINC000631082927 370379754 /nfs/dbraw/zinc/37/97/54/370379754.db2.gz JMDXXLOSWVYEPO-NSHDSACASA-N 2 2 287.367 1.000 20 0 CCADLP COCCC[NH+]1CCC(Nc2nc(C)[nH+]c(N)n2)CC1 ZINC000631095840 370383026 /nfs/dbraw/zinc/38/30/26/370383026.db2.gz ONRXGGYPLXYQCN-UHFFFAOYSA-N 2 2 280.376 0.505 20 0 CCADLP COCCC[NH+]1CCC(Nc2nc(N)nc(C)[nH+]2)CC1 ZINC000631095840 370383030 /nfs/dbraw/zinc/38/30/30/370383030.db2.gz ONRXGGYPLXYQCN-UHFFFAOYSA-N 2 2 280.376 0.505 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCc2c[nH+]c(N(C)C)n2C)CC[N@@H+]1C ZINC000631270569 370446707 /nfs/dbraw/zinc/44/67/07/370446707.db2.gz FUHYAMNZJTZYFY-QWHCGFSZSA-N 2 2 293.415 0.833 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCc2c[nH+]c(N(C)C)n2C)CC[N@H+]1C ZINC000631270569 370446711 /nfs/dbraw/zinc/44/67/11/370446711.db2.gz FUHYAMNZJTZYFY-QWHCGFSZSA-N 2 2 293.415 0.833 20 0 CCADLP CCc1cc(NCc2c[nH+]c(C)nc2N)nc(C)[nH+]1 ZINC000631315390 370470731 /nfs/dbraw/zinc/47/07/31/370470731.db2.gz PRDXTWAGGNNHPY-UHFFFAOYSA-N 2 2 258.329 0.892 20 0 CCADLP c1cn(-c2cc(N3CC([NH+]4CCCC4)C3)ncn2)c[nH+]1 ZINC000631353159 370490242 /nfs/dbraw/zinc/49/02/42/370490242.db2.gz JIABQEAUCKXNHN-UHFFFAOYSA-N 2 2 270.340 0.947 20 0 CCADLP CC[NH+]1CCC([NH2+][C@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000631681234 370634443 /nfs/dbraw/zinc/63/44/43/370634443.db2.gz WSRWKGULTXHMRT-HNNXBMFYSA-N 2 2 295.427 0.840 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)S(=O)(=O)CCC[NH+]1CCCC1 ZINC000632544211 371130629 /nfs/dbraw/zinc/13/06/29/371130629.db2.gz ZRCIENQODMXOEE-UHFFFAOYSA-N 2 2 286.401 0.657 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)S(=O)(=O)CCC[NH+]1CCCC1 ZINC000632544211 371130633 /nfs/dbraw/zinc/13/06/33/371130633.db2.gz ZRCIENQODMXOEE-UHFFFAOYSA-N 2 2 286.401 0.657 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000331705020 204091139 /nfs/dbraw/zinc/09/11/39/204091139.db2.gz WWFACZVYPAOOGK-ZDUSSCGKSA-N 2 2 289.445 0.343 20 0 CCADLP CCS(=O)(=O)NCC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000331705020 204091143 /nfs/dbraw/zinc/09/11/43/204091143.db2.gz WWFACZVYPAOOGK-ZDUSSCGKSA-N 2 2 289.445 0.343 20 0 CCADLP CCS(=O)(=O)NCC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000331705020 204091146 /nfs/dbraw/zinc/09/11/46/204091146.db2.gz WWFACZVYPAOOGK-ZDUSSCGKSA-N 2 2 289.445 0.343 20 0 CCADLP CCS(=O)(=O)NCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000331705020 204091149 /nfs/dbraw/zinc/09/11/49/204091149.db2.gz WWFACZVYPAOOGK-ZDUSSCGKSA-N 2 2 289.445 0.343 20 0 CCADLP O=C(CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1)N1CCOCC1 ZINC000332011605 204388779 /nfs/dbraw/zinc/38/87/79/204388779.db2.gz ZJFJVEBNKLTGTL-UHFFFAOYSA-N 2 2 292.383 0.838 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2C[C@H]2C2CC2)[C@H](C[NH3+])C1 ZINC000633723391 371698049 /nfs/dbraw/zinc/69/80/49/371698049.db2.gz ANOYTPZZTADNLC-XQQFMLRXSA-N 2 2 266.389 0.317 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@@H]2C[C@H]2C2CC2)[C@H](C[NH3+])C1 ZINC000633723391 371698056 /nfs/dbraw/zinc/69/80/56/371698056.db2.gz ANOYTPZZTADNLC-XQQFMLRXSA-N 2 2 266.389 0.317 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000337357242 214026790 /nfs/dbraw/zinc/02/67/90/214026790.db2.gz CSDKDWDGTATPGZ-RYUDHWBXSA-N 2 2 252.362 0.307 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC000337357242 214026792 /nfs/dbraw/zinc/02/67/92/214026792.db2.gz CSDKDWDGTATPGZ-RYUDHWBXSA-N 2 2 252.362 0.307 20 0 CCADLP C[C@@](O)(C[C@H](O)C[NH2+]CCn1cc[nH+]c1)C1CC1 ZINC000634699795 372146102 /nfs/dbraw/zinc/14/61/02/372146102.db2.gz PEDJCURBDQKIJM-QWHCGFSZSA-N 2 2 253.346 0.385 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000634708550 372153892 /nfs/dbraw/zinc/15/38/92/372153892.db2.gz WLSFIDVKOTXAEW-MEYUZBJRSA-N 2 2 282.428 0.971 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000634708550 372153895 /nfs/dbraw/zinc/15/38/95/372153895.db2.gz WLSFIDVKOTXAEW-MEYUZBJRSA-N 2 2 282.428 0.971 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCCCN(C)C1=O ZINC000634744183 372189061 /nfs/dbraw/zinc/18/90/61/372189061.db2.gz QCDRXARWMDCRNQ-CHWSQXEVSA-N 2 2 271.405 0.242 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCCCN(C)C1=O ZINC000634744183 372189068 /nfs/dbraw/zinc/18/90/68/372189068.db2.gz QCDRXARWMDCRNQ-CHWSQXEVSA-N 2 2 271.405 0.242 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000634744183 372189076 /nfs/dbraw/zinc/18/90/76/372189076.db2.gz QCDRXARWMDCRNQ-CHWSQXEVSA-N 2 2 271.405 0.242 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000634744183 372189086 /nfs/dbraw/zinc/18/90/86/372189086.db2.gz QCDRXARWMDCRNQ-CHWSQXEVSA-N 2 2 271.405 0.242 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCOCC2(CC2)C1 ZINC000574410497 335017379 /nfs/dbraw/zinc/01/73/79/335017379.db2.gz NOHWMJRNBASPQZ-ZDUSSCGKSA-N 2 2 272.389 0.038 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCOCC2(CC2)C1 ZINC000574410497 335017381 /nfs/dbraw/zinc/01/73/81/335017381.db2.gz NOHWMJRNBASPQZ-ZDUSSCGKSA-N 2 2 272.389 0.038 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCOCC2(CC2)C1 ZINC000574410497 335017384 /nfs/dbraw/zinc/01/73/84/335017384.db2.gz NOHWMJRNBASPQZ-ZDUSSCGKSA-N 2 2 272.389 0.038 20 0 CCADLP CC1(O)CCN(c2cc(N3CCC[NH2+]CC3)nc[nH+]2)CC1 ZINC000634807752 372247145 /nfs/dbraw/zinc/24/71/45/372247145.db2.gz ZMYAZALPQSOZFO-UHFFFAOYSA-N 2 2 291.399 0.628 20 0 CCADLP C[C@@H](O)CNc1cc(N2CCC[C@H]([NH3+])C2)nc[nH+]1 ZINC000634807698 372247329 /nfs/dbraw/zinc/24/73/29/372247329.db2.gz XOYXJYUUHHWLKP-ZJUUUORDSA-N 2 2 251.334 0.197 20 0 CCADLP C[C@H](O)[C@@H]1CCN(c2cc(N3CCC[C@H]([NH3+])C3)nc[nH+]2)C1 ZINC000634807288 372247842 /nfs/dbraw/zinc/24/78/42/372247842.db2.gz FPAXXKYARMSAPC-XQQFMLRXSA-N 2 2 291.399 0.611 20 0 CCADLP C[C@H](O)CNc1cc(N2CCCC[C@H]2CC[NH3+])nc[nH+]1 ZINC000634808743 372250342 /nfs/dbraw/zinc/25/03/42/372250342.db2.gz BGWJSKDPUIQVKF-RYUDHWBXSA-N 2 2 279.388 0.977 20 0 CCADLP C[C@H](O)CNc1cc(N2CCCC[C@H]2CC[NH3+])[nH+]cn1 ZINC000634808743 372250349 /nfs/dbraw/zinc/25/03/49/372250349.db2.gz BGWJSKDPUIQVKF-RYUDHWBXSA-N 2 2 279.388 0.977 20 0 CCADLP Cn1ncc2c1nc[nH+]c2N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000634809086 372251550 /nfs/dbraw/zinc/25/15/50/372251550.db2.gz KGNMBABGEQVPDJ-AWEZNQCLSA-N 2 2 272.356 0.943 20 0 CCADLP C[NH+]1CCN(CCCC[NH2+]Cc2ccon2)CC1 ZINC000634953378 372308132 /nfs/dbraw/zinc/30/81/32/372308132.db2.gz YWXWNBURACNDJV-UHFFFAOYSA-N 2 2 252.362 0.792 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccc3nccnc3c2)CC1 ZINC000634956800 372309721 /nfs/dbraw/zinc/30/97/21/372309721.db2.gz TVIYXTYVUOWNIE-UHFFFAOYSA-N 2 2 299.378 0.493 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCNC(=O)CC1 ZINC000634959567 372312244 /nfs/dbraw/zinc/31/22/44/372312244.db2.gz VNJPEQRWFPPQBM-OLZOCXBDSA-N 2 2 269.389 0.356 20 0 CCADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCNC(=O)CC1 ZINC000634959567 372312251 /nfs/dbraw/zinc/31/22/51/372312251.db2.gz VNJPEQRWFPPQBM-OLZOCXBDSA-N 2 2 269.389 0.356 20 0 CCADLP O=C1CC[C@@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)CCN1 ZINC000634960974 372314170 /nfs/dbraw/zinc/31/41/70/372314170.db2.gz HGFRGJNYQPECRF-CHWSQXEVSA-N 2 2 251.374 0.729 20 0 CCADLP O=C1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)CCN1 ZINC000634960974 372314178 /nfs/dbraw/zinc/31/41/78/372314178.db2.gz HGFRGJNYQPECRF-CHWSQXEVSA-N 2 2 251.374 0.729 20 0 CCADLP OCC[NH2+]C1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000635001125 372336690 /nfs/dbraw/zinc/33/66/90/372336690.db2.gz HRGLDYWFZPCKCT-UHFFFAOYSA-N 2 2 250.342 0.939 20 0 CCADLP C[NH+](C)CCNC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000635069423 372365045 /nfs/dbraw/zinc/36/50/45/372365045.db2.gz PLOCYNJYBPNRAE-UHFFFAOYSA-N 2 2 274.324 0.869 20 0 CCADLP CCc1c[nH]c(CC(=O)NCCn2cc[nH+]c2C)[nH+]1 ZINC000635456781 372528368 /nfs/dbraw/zinc/52/83/68/372528368.db2.gz SZNGZNXLKUYMMR-UHFFFAOYSA-N 2 2 261.329 0.836 20 0 CCADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000635526161 372589026 /nfs/dbraw/zinc/58/90/26/372589026.db2.gz HOZUATKUZRFBDU-NWDGAFQWSA-N 2 2 284.404 0.228 20 0 CCADLP O=C(NCC[N@@H+]1CCCOCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000333067850 205003064 /nfs/dbraw/zinc/00/30/64/205003064.db2.gz JRHBCRVPULDDOC-CYBMUJFWSA-N 2 2 292.383 0.284 20 0 CCADLP O=C(NCC[N@H+]1CCCOCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000333067850 205003068 /nfs/dbraw/zinc/00/30/68/205003068.db2.gz JRHBCRVPULDDOC-CYBMUJFWSA-N 2 2 292.383 0.284 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000635618189 372690869 /nfs/dbraw/zinc/69/08/69/372690869.db2.gz LLJGRVJBAIYTDS-GJZGRUSLSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000635618189 372690873 /nfs/dbraw/zinc/69/08/73/372690873.db2.gz LLJGRVJBAIYTDS-GJZGRUSLSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000635671326 372747518 /nfs/dbraw/zinc/74/75/18/372747518.db2.gz ZHOWJHOKOQEAKG-AWEZNQCLSA-N 3 2 296.459 0.470 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000635671326 372747526 /nfs/dbraw/zinc/74/75/26/372747526.db2.gz ZHOWJHOKOQEAKG-AWEZNQCLSA-N 3 2 296.459 0.470 20 0 CCADLP c1c([C@@H]2COCC[NH2+]2)nnn1CCC[NH+]1CCSCC1 ZINC000656450073 412800213 /nfs/dbraw/zinc/80/02/13/412800213.db2.gz LLFVSEVMMZEHKO-ZDUSSCGKSA-N 2 2 297.428 0.378 20 0 CCADLP C[C@H](C(=O)N1CC[C@H](c2[nH+]ccn2C)C1)[NH+](C)C ZINC000635733726 372830679 /nfs/dbraw/zinc/83/06/79/372830679.db2.gz CNTZGURVGNKKJZ-MNOVXSKESA-N 2 2 250.346 0.686 20 0 CCADLP CC(C)C[C@H](C(=O)NC[C@@]1(O)CC[N@H+](C)C1)n1cc[nH+]c1 ZINC000635802921 372932605 /nfs/dbraw/zinc/93/26/05/372932605.db2.gz XJCPETFDRVIKGX-HIFRSBDPSA-N 2 2 294.399 0.653 20 0 CCADLP CC(C)C[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](C)C1)n1cc[nH+]c1 ZINC000635802921 372932612 /nfs/dbraw/zinc/93/26/12/372932612.db2.gz XJCPETFDRVIKGX-HIFRSBDPSA-N 2 2 294.399 0.653 20 0 CCADLP CN1CC[N@H+](C)[C@@H](CNC(=O)NCC2([NH3+])CCCCC2)C1 ZINC000333448741 205327868 /nfs/dbraw/zinc/32/78/68/205327868.db2.gz XFJBTSZPFDGUJQ-ZDUSSCGKSA-N 2 2 297.447 0.193 20 0 CCADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)NCC2([NH3+])CCCCC2)C1 ZINC000333448741 205327870 /nfs/dbraw/zinc/32/78/70/205327870.db2.gz XFJBTSZPFDGUJQ-ZDUSSCGKSA-N 2 2 297.447 0.193 20 0 CCADLP C[C@@H]1C[C@@H](C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC[NH2+]1 ZINC000333464413 205343899 /nfs/dbraw/zinc/34/38/99/205343899.db2.gz HEQKFVCNGOYFAX-PAPYEOQZSA-N 3 2 277.416 0.535 20 0 CCADLP C[C@@H]1C[C@@H](C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC[NH2+]1 ZINC000333464413 205343903 /nfs/dbraw/zinc/34/39/03/205343903.db2.gz HEQKFVCNGOYFAX-PAPYEOQZSA-N 3 2 277.416 0.535 20 0 CCADLP C[C@H](C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C)[NH+](C)C ZINC000635920572 373106440 /nfs/dbraw/zinc/10/64/40/373106440.db2.gz TVENLPSZXBQVHJ-UPJWGTAASA-N 2 2 269.389 0.258 20 0 CCADLP Cc1nc(N)c(CNC(=O)[C@@H]2CCCC[N@H+]2C)c[nH+]1 ZINC000635922085 373109909 /nfs/dbraw/zinc/10/99/09/373109909.db2.gz QVNFHKKVBLVSMZ-NSHDSACASA-N 2 2 263.345 0.298 20 0 CCADLP Cc1nc(N)c(CNC(=O)[C@@H]2CCCC[N@@H+]2C)c[nH+]1 ZINC000635922085 373109916 /nfs/dbraw/zinc/10/99/16/373109916.db2.gz QVNFHKKVBLVSMZ-NSHDSACASA-N 2 2 263.345 0.298 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@@H]2CC[N@@H+](CC)C2)[nH+]1 ZINC000636028887 373271572 /nfs/dbraw/zinc/27/15/72/373271572.db2.gz GMNVKZHJUHDMPR-LLVKDONJSA-N 2 2 250.346 0.725 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@@H]2CC[N@H+](CC)C2)[nH+]1 ZINC000636028887 373271583 /nfs/dbraw/zinc/27/15/83/373271583.db2.gz GMNVKZHJUHDMPR-LLVKDONJSA-N 2 2 250.346 0.725 20 0 CCADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000636578840 373654001 /nfs/dbraw/zinc/65/40/01/373654001.db2.gz PVTGBKUBMCLFIK-JHJVBQTASA-N 2 2 289.383 0.734 20 0 CCADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000636578840 373654009 /nfs/dbraw/zinc/65/40/09/373654009.db2.gz PVTGBKUBMCLFIK-JHJVBQTASA-N 2 2 289.383 0.734 20 0 CCADLP C[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000636624424 373679661 /nfs/dbraw/zinc/67/96/61/373679661.db2.gz UCJRVTJXRDLVBB-GHMZBOCLSA-N 2 2 263.345 0.201 20 0 CCADLP C[N@H+]1CCC[C@@H](NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000636624424 373679667 /nfs/dbraw/zinc/67/96/67/373679667.db2.gz UCJRVTJXRDLVBB-GHMZBOCLSA-N 2 2 263.345 0.201 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636789707 373758085 /nfs/dbraw/zinc/75/80/85/373758085.db2.gz JIWYXMSSDKSRMV-MNOVXSKESA-N 2 2 275.356 0.344 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636789707 373758094 /nfs/dbraw/zinc/75/80/94/373758094.db2.gz JIWYXMSSDKSRMV-MNOVXSKESA-N 2 2 275.356 0.344 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000636872390 373796449 /nfs/dbraw/zinc/79/64/49/373796449.db2.gz FVKPABOFCSIZSR-CYBMUJFWSA-N 2 2 284.404 0.102 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000637029715 373886068 /nfs/dbraw/zinc/88/60/68/373886068.db2.gz VLJXEIZLYMWQAD-SOUVJXGZSA-N 2 2 295.427 0.650 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000637029715 373886076 /nfs/dbraw/zinc/88/60/76/373886076.db2.gz VLJXEIZLYMWQAD-SOUVJXGZSA-N 2 2 295.427 0.650 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000637029715 373886081 /nfs/dbraw/zinc/88/60/81/373886081.db2.gz VLJXEIZLYMWQAD-SOUVJXGZSA-N 2 2 295.427 0.650 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)NC[C@H]1CCCC[NH2+]1)CC2 ZINC000637000924 373866582 /nfs/dbraw/zinc/86/65/82/373866582.db2.gz COPAYFPPUDHGEJ-GFCCVEGCSA-N 2 2 277.372 0.859 20 0 CCADLP COC(=O)C[C@H]1CSCC[N@@H+]1CCc1c[nH+]cn1C ZINC000289529525 197390624 /nfs/dbraw/zinc/39/06/24/197390624.db2.gz GMSSXZJCXVSKJI-LBPRGKRZSA-N 2 2 283.397 0.943 20 0 CCADLP COC(=O)C[C@H]1CSCC[N@H+]1CCc1c[nH+]cn1C ZINC000289529525 197390626 /nfs/dbraw/zinc/39/06/26/197390626.db2.gz GMSSXZJCXVSKJI-LBPRGKRZSA-N 2 2 283.397 0.943 20 0 CCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NC[C@@H]1COCC[NH+]1C ZINC000637447482 374172075 /nfs/dbraw/zinc/17/20/75/374172075.db2.gz OSOWRZGYNAWYHR-ZIAGYGMSSA-N 2 2 298.431 0.299 20 0 CCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NC[C@@H]1COCC[NH+]1C ZINC000637447482 374172080 /nfs/dbraw/zinc/17/20/80/374172080.db2.gz OSOWRZGYNAWYHR-ZIAGYGMSSA-N 2 2 298.431 0.299 20 0 CCADLP CC(C)[C@H]1C[NH+](C)CCN1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637447482 374172084 /nfs/dbraw/zinc/17/20/84/374172084.db2.gz OSOWRZGYNAWYHR-ZIAGYGMSSA-N 2 2 298.431 0.299 20 0 CCADLP CC(C)[C@H]1C[NH+](C)CCN1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637447482 374172087 /nfs/dbraw/zinc/17/20/87/374172087.db2.gz OSOWRZGYNAWYHR-ZIAGYGMSSA-N 2 2 298.431 0.299 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000637847867 374402650 /nfs/dbraw/zinc/40/26/50/374402650.db2.gz PQLVKPYRUMEESZ-JOYOIKCWSA-N 2 2 250.346 0.846 20 0 CCADLP CN1CCN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)[C@H](C[NH3+])C1 ZINC000637866152 374428905 /nfs/dbraw/zinc/42/89/05/374428905.db2.gz ITZTWXSBYLQJAR-CQSZACIVSA-N 2 2 299.378 0.792 20 0 CCADLP [NH3+][C@@H]1CCO[C@@H]1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000638051309 374594629 /nfs/dbraw/zinc/59/46/29/374594629.db2.gz FHJSGDHGONDLGL-PWSUYJOCSA-N 2 2 260.297 0.067 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000638051690 374594836 /nfs/dbraw/zinc/59/48/36/374594836.db2.gz OOIZGNYRNKRHSN-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP [NH3+]C[C@@]1(C(=O)NCCCCn2cc[nH+]c2)CCCOC1 ZINC000638076939 374632263 /nfs/dbraw/zinc/63/22/63/374632263.db2.gz VNYNWGRPYFCAHY-AWEZNQCLSA-N 2 2 280.372 0.535 20 0 CCADLP [NH3+]C[C@@]1(C(=O)N2CCC(n3cc[nH+]c3)CC2)CCCOC1 ZINC000638090196 374650912 /nfs/dbraw/zinc/65/09/12/374650912.db2.gz ZWONHXOUZDADOL-HNNXBMFYSA-N 2 2 292.383 0.802 20 0 CCADLP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1c[nH+]c(N)nc1N ZINC000638097489 374658661 /nfs/dbraw/zinc/65/86/61/374658661.db2.gz FDALLLWFQQJKKQ-ZYHUDNBSSA-N 2 2 276.388 0.360 20 0 CCADLP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1c[nH+]c(N)nc1N ZINC000638097489 374658666 /nfs/dbraw/zinc/65/86/66/374658666.db2.gz FDALLLWFQQJKKQ-ZYHUDNBSSA-N 2 2 276.388 0.360 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638131117 374700495 /nfs/dbraw/zinc/70/04/95/374700495.db2.gz JWYCYIGFBSWOEN-GFCCVEGCSA-N 2 2 252.318 0.090 20 0 CCADLP CO[C@]1(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CCOC1 ZINC000638120353 374686763 /nfs/dbraw/zinc/68/67/63/374686763.db2.gz ZBLKTVBMCWMIJX-GJZGRUSLSA-N 2 2 284.400 0.446 20 0 CCADLP CO[C@]1(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CCOC1 ZINC000638120353 374686767 /nfs/dbraw/zinc/68/67/67/374686767.db2.gz ZBLKTVBMCWMIJX-GJZGRUSLSA-N 2 2 284.400 0.446 20 0 CCADLP CC[N@H+](C)C[C@@H]1CCN(Cc2c[nH+]c(N)nc2N)C1 ZINC000638135660 374704558 /nfs/dbraw/zinc/70/45/58/374704558.db2.gz VNNPRADSGHETNM-JTQLQIEISA-N 2 2 264.377 0.075 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CCN(Cc2c[nH+]c(N)nc2N)C1 ZINC000638135660 374704562 /nfs/dbraw/zinc/70/45/62/374704562.db2.gz VNNPRADSGHETNM-JTQLQIEISA-N 2 2 264.377 0.075 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H]1C[NH2+]CC[C@H]1C)CC2 ZINC000638176882 374761603 /nfs/dbraw/zinc/76/16/03/374761603.db2.gz HRYFPKUDBDTXNF-RTXFEEFZSA-N 2 2 276.384 0.868 20 0 CCADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnc(N)nc3N)CC[C@@H]21 ZINC000638176518 374761741 /nfs/dbraw/zinc/76/17/41/374761741.db2.gz DZJNXARGPAVXAD-JQWIXIFHSA-N 2 2 276.388 0.218 20 0 CCADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnc(N)nc3N)CC[C@@H]21 ZINC000638176518 374761745 /nfs/dbraw/zinc/76/17/45/374761745.db2.gz DZJNXARGPAVXAD-JQWIXIFHSA-N 2 2 276.388 0.218 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnc(N)nc3N)CC[C@@H]21 ZINC000638176518 374761746 /nfs/dbraw/zinc/76/17/46/374761746.db2.gz DZJNXARGPAVXAD-JQWIXIFHSA-N 2 2 276.388 0.218 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnc(N)nc3N)CC[C@@H]21 ZINC000638176518 374761750 /nfs/dbraw/zinc/76/17/50/374761750.db2.gz DZJNXARGPAVXAD-JQWIXIFHSA-N 2 2 276.388 0.218 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000638230394 374822280 /nfs/dbraw/zinc/82/22/80/374822280.db2.gz KFRHBDWVVQOZBW-IYYTYJHQSA-N 2 2 250.346 0.763 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000638230394 374822286 /nfs/dbraw/zinc/82/22/86/374822286.db2.gz KFRHBDWVVQOZBW-IYYTYJHQSA-N 2 2 250.346 0.763 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@H]2CCC[NH2+]CC2)[nH+]1 ZINC000638191209 374773028 /nfs/dbraw/zinc/77/30/28/374773028.db2.gz UVUYVPLBUGDMNE-NSHDSACASA-N 2 2 250.346 0.773 20 0 CCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cnc(C[NH3+])nc1 ZINC000638282211 374889821 /nfs/dbraw/zinc/88/98/21/374889821.db2.gz BZLNNNJOEAYRLZ-GFCCVEGCSA-N 2 2 277.372 0.348 20 0 CCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1cnc(C[NH3+])nc1 ZINC000638282211 374889827 /nfs/dbraw/zinc/88/98/27/374889827.db2.gz BZLNNNJOEAYRLZ-GFCCVEGCSA-N 2 2 277.372 0.348 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000638290029 374899183 /nfs/dbraw/zinc/89/91/83/374899183.db2.gz OVSUOQXEWVBGMT-RYUDHWBXSA-N 2 2 262.357 0.775 20 0 CCADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cnc(N)nc1N ZINC000638303292 374909033 /nfs/dbraw/zinc/90/90/33/374909033.db2.gz PXCWZCZBPCGOBB-NSHDSACASA-N 2 2 278.404 0.656 20 0 CCADLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cnc(N)nc1N ZINC000638303292 374909039 /nfs/dbraw/zinc/90/90/39/374909039.db2.gz PXCWZCZBPCGOBB-NSHDSACASA-N 2 2 278.404 0.656 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC1CC[NH2+]CC1 ZINC000638393553 374987315 /nfs/dbraw/zinc/98/73/15/374987315.db2.gz HQEXHIVNWRQEEM-UHFFFAOYSA-N 2 2 250.346 0.767 20 0 CCADLP [NH3+][C@@H]1CCO[C@@H]1C(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000638408519 375006802 /nfs/dbraw/zinc/00/68/02/375006802.db2.gz ZUVIUZZQCNICDB-OLZOCXBDSA-N 2 2 290.367 0.414 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@]1(C)CC[NH2+]C1)CC2 ZINC000638438815 375041555 /nfs/dbraw/zinc/04/15/55/375041555.db2.gz DCPMBFVHPZYCJP-SMDDNHRTSA-N 2 2 262.357 0.622 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000638425133 375023081 /nfs/dbraw/zinc/02/30/81/375023081.db2.gz KQSYHWQMJKDUCP-LBPRGKRZSA-N 2 2 292.383 0.166 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000638425133 375023086 /nfs/dbraw/zinc/02/30/86/375023086.db2.gz KQSYHWQMJKDUCP-LBPRGKRZSA-N 2 2 292.383 0.166 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638425922 375023492 /nfs/dbraw/zinc/02/34/92/375023492.db2.gz ILYPXXCNDBPHKZ-COPLHBTASA-N 2 2 280.372 0.847 20 0 CCADLP CCc1c[nH]c(CC(=O)N(C)[C@@H](C[NH3+])C(F)(F)F)[nH+]1 ZINC000638433754 375034677 /nfs/dbraw/zinc/03/46/77/375034677.db2.gz BGHZSZXRTKMUQJ-QMMMGPOBSA-N 2 2 278.278 0.863 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]CC(C)(C)N1CCOCC1 ZINC000638510395 375101704 /nfs/dbraw/zinc/10/17/04/375101704.db2.gz QGJCGZXXZSHNTP-HNNXBMFYSA-N 2 2 299.459 0.798 20 0 CCADLP COCC[N@H+]1CCC[C@H]1C[NH2+]CC(C)(C)N1CCOCC1 ZINC000638510395 375101715 /nfs/dbraw/zinc/10/17/15/375101715.db2.gz QGJCGZXXZSHNTP-HNNXBMFYSA-N 2 2 299.459 0.798 20 0 CCADLP C[NH2+]CCOCCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000638579011 375158408 /nfs/dbraw/zinc/15/84/08/375158408.db2.gz KYVHCCOVOBLYPJ-UHFFFAOYSA-N 2 2 289.339 0.233 20 0 CCADLP C[NH2+]CC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000638583363 375165122 /nfs/dbraw/zinc/16/51/22/375165122.db2.gz ISONSYMLESPJQR-UHFFFAOYSA-N 2 2 265.361 0.078 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000638611241 375192019 /nfs/dbraw/zinc/19/20/19/375192019.db2.gz NCCAWFSFLVOJGA-UKRRQHHQSA-N 2 2 289.379 0.320 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000638611241 375192023 /nfs/dbraw/zinc/19/20/23/375192023.db2.gz NCCAWFSFLVOJGA-UKRRQHHQSA-N 2 2 289.379 0.320 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000638611775 375194003 /nfs/dbraw/zinc/19/40/03/375194003.db2.gz QFCYJDBPMOVPKJ-VXGBXAGGSA-N 2 2 269.389 0.211 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000638611775 375194010 /nfs/dbraw/zinc/19/40/10/375194010.db2.gz QFCYJDBPMOVPKJ-VXGBXAGGSA-N 2 2 269.389 0.211 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000638612627 375195600 /nfs/dbraw/zinc/19/56/00/375195600.db2.gz WDMZLOQGILOROK-HIFRSBDPSA-N 2 2 289.379 0.668 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000638612627 375195606 /nfs/dbraw/zinc/19/56/06/375195606.db2.gz WDMZLOQGILOROK-HIFRSBDPSA-N 2 2 289.379 0.668 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000638612621 375197426 /nfs/dbraw/zinc/19/74/26/375197426.db2.gz WBGWFDXRVCTBHW-KBPBESRZSA-N 2 2 277.368 0.523 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000638612621 375197433 /nfs/dbraw/zinc/19/74/33/375197433.db2.gz WBGWFDXRVCTBHW-KBPBESRZSA-N 2 2 277.368 0.523 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1C[C@H]1c1ccsc1 ZINC000638629138 375231413 /nfs/dbraw/zinc/23/14/13/375231413.db2.gz TYYRISZQZUGYPM-SDDRHHMPSA-N 2 2 267.398 0.999 20 0 CCADLP CO[C@H](C[NH2+]C[C@@H](C)C[NH+]1CCOCC1)[C@H]1CCOC1 ZINC000638675092 375278774 /nfs/dbraw/zinc/27/87/74/375278774.db2.gz RTTAMHDQCMRHPR-QLFBSQMISA-N 2 2 286.416 0.596 20 0 CCADLP COCCC[N@H+](C)CC[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1 ZINC000638710105 375314441 /nfs/dbraw/zinc/31/44/41/375314441.db2.gz NDPVECLGLMUDKM-KBPBESRZSA-N 2 2 285.432 0.992 20 0 CCADLP COCCC[N@@H+](C)CC[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1 ZINC000638710105 375314450 /nfs/dbraw/zinc/31/44/50/375314450.db2.gz NDPVECLGLMUDKM-KBPBESRZSA-N 2 2 285.432 0.992 20 0 CCADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000638739619 375330297 /nfs/dbraw/zinc/33/02/97/375330297.db2.gz ULMBAQBWFJFPRI-UPJWGTAASA-N 2 2 253.390 0.973 20 0 CCADLP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000638739619 375330303 /nfs/dbraw/zinc/33/03/03/375330303.db2.gz ULMBAQBWFJFPRI-UPJWGTAASA-N 2 2 253.390 0.973 20 0 CCADLP O=C(C1CC[NH+](CC(F)F)CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638937230 375472411 /nfs/dbraw/zinc/47/24/11/375472411.db2.gz JEMPQFOMXHPKFN-TXEJJXNPSA-N 2 2 287.354 0.926 20 0 CCADLP C[C@@H](CC(=O)NCCN1CC[NH+](C)CC1)n1cc[nH+]c1 ZINC000568754781 291619831 /nfs/dbraw/zinc/61/98/31/291619831.db2.gz RJBRPFDFGQQSLM-ZDUSSCGKSA-N 2 2 279.388 0.198 20 0 CCADLP CC1(C)C[NH2+][C@H]1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638984194 375497597 /nfs/dbraw/zinc/49/75/97/375497597.db2.gz JUYAIPZPZPSPFS-ZDUSSCGKSA-N 3 2 289.383 0.428 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000639065624 375557400 /nfs/dbraw/zinc/55/74/00/375557400.db2.gz QWLGMGLHNMVMFZ-GXTWGEPZSA-N 3 2 290.411 0.745 20 0 CCADLP CO[C@H](C[NH2+][C@H]1CCn2cc[nH+]c2C1)[C@H]1CCOC1 ZINC000639072653 375560507 /nfs/dbraw/zinc/56/05/07/375560507.db2.gz YHEUWDDODJVKHA-RWMBFGLXSA-N 2 2 265.357 0.839 20 0 CCADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cnc(N)nc1N ZINC000639179396 375621536 /nfs/dbraw/zinc/62/15/36/375621536.db2.gz SPTACUMTRHQMOG-ONGXEEELSA-N 2 2 264.377 0.074 20 0 CCADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cnc(N)nc1N ZINC000639179396 375621539 /nfs/dbraw/zinc/62/15/39/375621539.db2.gz SPTACUMTRHQMOG-ONGXEEELSA-N 2 2 264.377 0.074 20 0 CCADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cnc(N)nc1N ZINC000639179396 375621542 /nfs/dbraw/zinc/62/15/42/375621542.db2.gz SPTACUMTRHQMOG-ONGXEEELSA-N 2 2 264.377 0.074 20 0 CCADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cnc(N)nc1N ZINC000639179396 375621545 /nfs/dbraw/zinc/62/15/45/375621545.db2.gz SPTACUMTRHQMOG-ONGXEEELSA-N 2 2 264.377 0.074 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1c[nH+]c(N)nc1N ZINC000639160164 375611722 /nfs/dbraw/zinc/61/17/22/375611722.db2.gz AWRRNDLYJNAKSP-PWSUYJOCSA-N 2 2 276.388 0.360 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2c[nH]c3nccnc23)C1 ZINC000574612532 335033872 /nfs/dbraw/zinc/03/38/72/335033872.db2.gz RZJCRFPIOZYVRL-ZDUSSCGKSA-N 2 2 261.329 0.066 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2c[nH]c3nccnc23)C1 ZINC000574612532 335033873 /nfs/dbraw/zinc/03/38/73/335033873.db2.gz RZJCRFPIOZYVRL-ZDUSSCGKSA-N 2 2 261.329 0.066 20 0 CCADLP CO[C@H](C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO)C1CC1 ZINC000639218486 375638986 /nfs/dbraw/zinc/63/89/86/375638986.db2.gz KFZXBNPEVWHYCK-UONOGXRCSA-N 2 2 256.390 0.848 20 0 CCADLP CO[C@H](C[NH2+]C[C@@H]1CCCC[N@H+]1CCO)C1CC1 ZINC000639218486 375638994 /nfs/dbraw/zinc/63/89/94/375638994.db2.gz KFZXBNPEVWHYCK-UONOGXRCSA-N 2 2 256.390 0.848 20 0 CCADLP Nc1ncc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(N)n1 ZINC000639338258 375741494 /nfs/dbraw/zinc/74/14/94/375741494.db2.gz SEKCDKKAKKCMMY-GFCCVEGCSA-N 2 2 290.415 0.513 20 0 CCADLP Nc1ncc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(N)n1 ZINC000639338258 375741504 /nfs/dbraw/zinc/74/15/04/375741504.db2.gz SEKCDKKAKKCMMY-GFCCVEGCSA-N 2 2 290.415 0.513 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCC(=O)OC)CC1 ZINC000064067408 284539940 /nfs/dbraw/zinc/53/99/40/284539940.db2.gz PSQJRPWSXQMVDS-UHFFFAOYSA-N 2 2 285.388 0.036 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000639515469 375818437 /nfs/dbraw/zinc/81/84/37/375818437.db2.gz LFBWROZWKYJCBX-UONOGXRCSA-N 2 2 265.357 0.842 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000639515469 375818442 /nfs/dbraw/zinc/81/84/42/375818442.db2.gz LFBWROZWKYJCBX-UONOGXRCSA-N 2 2 265.357 0.842 20 0 CCADLP CCC[N@H+](CCc1c[nH+]cn1C)[C@H]1CCS(=O)(=O)C1 ZINC000639453063 375788895 /nfs/dbraw/zinc/78/88/95/375788895.db2.gz YNGMZUKQOSZICT-ZDUSSCGKSA-N 2 2 285.413 0.862 20 0 CCADLP CCC[N@@H+](CCc1c[nH+]cn1C)[C@H]1CCS(=O)(=O)C1 ZINC000639453063 375788898 /nfs/dbraw/zinc/78/88/98/375788898.db2.gz YNGMZUKQOSZICT-ZDUSSCGKSA-N 2 2 285.413 0.862 20 0 CCADLP Cc1cc(C)c(C[N@@H+]2C[C@@H](O)C[C@H]2CO)c(C)[nH+]1 ZINC000639554538 375833846 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Cc1nnc([C@@H]2CC[N@@H+](CCc3c[nH+]cn3C)C2)[nH]1 ZINC000639676851 375908088 /nfs/dbraw/zinc/90/80/88/375908088.db2.gz AHYMGHICAJBJLV-LLVKDONJSA-N 2 2 260.345 0.879 20 0 CCADLP Cc1nnc([C@@H]2CC[N@H+](CCc3c[nH+]cn3C)C2)[nH]1 ZINC000639676851 375908093 /nfs/dbraw/zinc/90/80/93/375908093.db2.gz AHYMGHICAJBJLV-LLVKDONJSA-N 2 2 260.345 0.879 20 0 CCADLP Cc1n[nH]c([C@@H]2CC[N@@H+](CCc3c[nH+]cn3C)C2)n1 ZINC000639676851 375908099 /nfs/dbraw/zinc/90/80/99/375908099.db2.gz AHYMGHICAJBJLV-LLVKDONJSA-N 2 2 260.345 0.879 20 0 CCADLP Cc1n[nH]c([C@@H]2CC[N@H+](CCc3c[nH+]cn3C)C2)n1 ZINC000639676851 375908103 /nfs/dbraw/zinc/90/81/03/375908103.db2.gz AHYMGHICAJBJLV-LLVKDONJSA-N 2 2 260.345 0.879 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]CCO[C@H]1CC1(F)F)C1CC1 ZINC000656709509 412844589 /nfs/dbraw/zinc/84/45/89/412844589.db2.gz XBOXRLVORZNAIN-MNOVXSKESA-N 2 2 264.316 0.455 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]CCO[C@H]1CC1(F)F)C1CC1 ZINC000656709509 412844592 /nfs/dbraw/zinc/84/45/92/412844592.db2.gz XBOXRLVORZNAIN-MNOVXSKESA-N 2 2 264.316 0.455 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000639733467 375960987 /nfs/dbraw/zinc/96/09/87/375960987.db2.gz PHBCBRUADVDVOV-LBPRGKRZSA-N 2 2 264.377 0.411 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000639733467 375960993 /nfs/dbraw/zinc/96/09/93/375960993.db2.gz PHBCBRUADVDVOV-LBPRGKRZSA-N 2 2 264.377 0.411 20 0 CCADLP C[N@@H+]1CCN(C[C@@H](O)C[NH+]2CCOCC2)C[C@@H]1C(C)(C)C ZINC000639751655 375977975 /nfs/dbraw/zinc/97/79/75/375977975.db2.gz RQDBRYGGNYMXLV-LSDHHAIUSA-N 2 2 299.459 0.342 20 0 CCADLP C[N@H+]1CCN(C[C@@H](O)C[NH+]2CCOCC2)C[C@@H]1C(C)(C)C ZINC000639751655 375977982 /nfs/dbraw/zinc/97/79/82/375977982.db2.gz RQDBRYGGNYMXLV-LSDHHAIUSA-N 2 2 299.459 0.342 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCN(Cc2nc[nH]n2)CC1 ZINC000639720931 375946909 /nfs/dbraw/zinc/94/69/09/375946909.db2.gz ISOSECZKEFEHFO-UHFFFAOYSA-N 2 2 275.360 0.127 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC000639720931 375946918 /nfs/dbraw/zinc/94/69/18/375946918.db2.gz ISOSECZKEFEHFO-UHFFFAOYSA-N 2 2 275.360 0.127 20 0 CCADLP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639763181 375990256 /nfs/dbraw/zinc/99/02/56/375990256.db2.gz WBEAOLFDDIDAKK-HIFRSBDPSA-N 2 2 285.432 0.630 20 0 CCADLP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639763181 375990259 /nfs/dbraw/zinc/99/02/59/375990259.db2.gz WBEAOLFDDIDAKK-HIFRSBDPSA-N 2 2 285.432 0.630 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000639762645 375991326 /nfs/dbraw/zinc/99/13/26/375991326.db2.gz SVLBJUYJDFCFGE-CQSZACIVSA-N 3 2 266.389 0.662 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000639762645 375991331 /nfs/dbraw/zinc/99/13/31/375991331.db2.gz SVLBJUYJDFCFGE-CQSZACIVSA-N 3 2 266.389 0.662 20 0 CCADLP CO[C@H]1C[N@H+](Cc2cc[nH+]c(N)c2)[C@@](C)(CO)C1 ZINC000640000573 376178804 /nfs/dbraw/zinc/17/88/04/376178804.db2.gz NXVOLBNISLYINQ-DGCLKSJQSA-N 2 2 251.330 0.466 20 0 CCADLP CO[C@H]1C[N@@H+](Cc2cc[nH+]c(N)c2)[C@@](C)(CO)C1 ZINC000640000573 376178810 /nfs/dbraw/zinc/17/88/10/376178810.db2.gz NXVOLBNISLYINQ-DGCLKSJQSA-N 2 2 251.330 0.466 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000640061114 376222599 /nfs/dbraw/zinc/22/25/99/376222599.db2.gz LBIYPGJZTLTTRF-BTTYYORXSA-N 2 2 265.401 0.738 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000640061114 376222606 /nfs/dbraw/zinc/22/26/06/376222606.db2.gz LBIYPGJZTLTTRF-BTTYYORXSA-N 2 2 265.401 0.738 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1C=CCCC1 ZINC000640058379 376223241 /nfs/dbraw/zinc/22/32/41/376223241.db2.gz MDNDAFYQQRCDOD-ZDUSSCGKSA-N 2 2 251.374 0.801 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1C=CCCC1 ZINC000640058379 376223249 /nfs/dbraw/zinc/22/32/49/376223249.db2.gz MDNDAFYQQRCDOD-ZDUSSCGKSA-N 2 2 251.374 0.801 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)CC1 ZINC000640095459 376233275 /nfs/dbraw/zinc/23/32/75/376233275.db2.gz NKLBZHUFPIMTLW-ILXRZTDVSA-N 2 2 295.427 0.386 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)CC1 ZINC000640095459 376233284 /nfs/dbraw/zinc/23/32/84/376233284.db2.gz NKLBZHUFPIMTLW-ILXRZTDVSA-N 2 2 295.427 0.386 20 0 CCADLP [NH3+][C@H](CO)Cc1cn(Cc2ccc(-n3cc[nH+]c3)cc2)nn1 ZINC000640881497 376596590 /nfs/dbraw/zinc/59/65/90/376596590.db2.gz QEQQDKXUKHWSLC-ZDUSSCGKSA-N 2 2 298.350 0.374 20 0 CCADLP Cc1cccc2[nH+]c(Cn3cc([C@@H]([NH3+])CO)nn3)cn21 ZINC000641030502 376686204 /nfs/dbraw/zinc/68/62/04/376686204.db2.gz XKJWBGUTAQCQRA-NSHDSACASA-N 2 2 272.312 0.275 20 0 CCADLP C[C@@H]1C[NH+](CCCNc2cc(CO)cc[nH+]2)C[C@@H](C)O1 ZINC000641273904 376958242 /nfs/dbraw/zinc/95/82/42/376958242.db2.gz ASALNLJKJPFGMH-CHWSQXEVSA-N 2 2 279.384 0.907 20 0 CCADLP C[C@@H]1[C@H](C)N(S(=O)(=O)CCn2cc[nH+]c2)CC[N@H+]1C ZINC000641407601 377081230 /nfs/dbraw/zinc/08/12/30/377081230.db2.gz DENRAAMEYDAKIJ-NEPJUHHUSA-N 2 2 286.401 0.237 20 0 CCADLP C[C@@H]1[C@H](C)N(S(=O)(=O)CCn2cc[nH+]c2)CC[N@@H+]1C ZINC000641407601 377081236 /nfs/dbraw/zinc/08/12/36/377081236.db2.gz DENRAAMEYDAKIJ-NEPJUHHUSA-N 2 2 286.401 0.237 20 0 CCADLP C[C@H]([NH3+])CNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000641414329 377090277 /nfs/dbraw/zinc/09/02/77/377090277.db2.gz XUIYFKMHPGCPHX-STQMWFEESA-N 2 2 291.399 0.817 20 0 CCADLP CC1=CC[N@H+](CCNS(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000641426949 377106165 /nfs/dbraw/zinc/10/61/65/377106165.db2.gz VDAXKDDQYKTRDS-UHFFFAOYSA-N 2 2 298.412 0.455 20 0 CCADLP CC1=CC[N@@H+](CCNS(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000641426949 377106170 /nfs/dbraw/zinc/10/61/70/377106170.db2.gz VDAXKDDQYKTRDS-UHFFFAOYSA-N 2 2 298.412 0.455 20 0 CCADLP COCc1cc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)no1 ZINC000641707957 377410290 /nfs/dbraw/zinc/41/02/90/377410290.db2.gz UARJLVQYQVVUHJ-UHFFFAOYSA-N 2 2 296.415 0.937 20 0 CCADLP Cn1c[nH+]cc1CCC[NH+]1CCN(Cc2ncc[nH]2)CC1 ZINC000515178703 249123445 /nfs/dbraw/zinc/12/34/45/249123445.db2.gz ZFIKBAYUEWQAAD-UHFFFAOYSA-N 2 2 288.399 0.894 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCc2ccncc2)C[C@@H](C)O1 ZINC000516174706 249153468 /nfs/dbraw/zinc/15/34/68/249153468.db2.gz PLSBLWKJIMKPNR-IIAWOOMASA-N 2 2 293.411 0.684 20 0 CCADLP O=C1C[C@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)[C@H]2CCCCN12 ZINC000515413426 249132933 /nfs/dbraw/zinc/13/29/33/249132933.db2.gz WTJUZDGLFCTSDC-KNCOVGOOSA-N 2 2 293.411 0.496 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000515645138 249140896 /nfs/dbraw/zinc/14/08/96/249140896.db2.gz UOXAJCUELPXHIZ-GFCCVEGCSA-N 2 2 266.345 0.110 20 0 CCADLP C[C@H](CC(=O)NCc1c[nH+]c(N(C)C)n1C)n1cc[nH+]c1 ZINC000515854103 249145924 /nfs/dbraw/zinc/14/59/24/249145924.db2.gz PPYAIDIVOWCKLG-LLVKDONJSA-N 2 2 290.371 0.950 20 0 CCADLP Cc1ccc2[nH+]cc(CN3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)n2c1 ZINC000516878846 249185153 /nfs/dbraw/zinc/18/51/53/249185153.db2.gz YDJNQTJSAWJFCK-JSGCOSHPSA-N 2 2 299.378 0.387 20 0 CCADLP Cc1ccc2ncc(C[N@@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)n2c1 ZINC000516878846 249185157 /nfs/dbraw/zinc/18/51/57/249185157.db2.gz YDJNQTJSAWJFCK-JSGCOSHPSA-N 2 2 299.378 0.387 20 0 CCADLP Cc1ccc2ncc(C[N@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)n2c1 ZINC000516878846 249185159 /nfs/dbraw/zinc/18/51/59/249185159.db2.gz YDJNQTJSAWJFCK-JSGCOSHPSA-N 2 2 299.378 0.387 20 0 CCADLP Cc1ccc2[nH+]cc(CN3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)n2c1 ZINC000516878848 249185516 /nfs/dbraw/zinc/18/55/16/249185516.db2.gz YDJNQTJSAWJFCK-TZMCWYRMSA-N 2 2 299.378 0.387 20 0 CCADLP Cc1ccc2ncc(C[N@@H+]3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)n2c1 ZINC000516878848 249185520 /nfs/dbraw/zinc/18/55/20/249185520.db2.gz YDJNQTJSAWJFCK-TZMCWYRMSA-N 2 2 299.378 0.387 20 0 CCADLP Cc1ccc2ncc(C[N@H+]3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)n2c1 ZINC000516878848 249185524 /nfs/dbraw/zinc/18/55/24/249185524.db2.gz YDJNQTJSAWJFCK-TZMCWYRMSA-N 2 2 299.378 0.387 20 0 CCADLP Cc1ccc2[nH+]cc(CN3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)n2c1 ZINC000516878845 249186519 /nfs/dbraw/zinc/18/65/19/249186519.db2.gz YDJNQTJSAWJFCK-GXTWGEPZSA-N 2 2 299.378 0.387 20 0 CCADLP Cc1ccc2ncc(C[N@@H+]3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)n2c1 ZINC000516878845 249186521 /nfs/dbraw/zinc/18/65/21/249186521.db2.gz YDJNQTJSAWJFCK-GXTWGEPZSA-N 2 2 299.378 0.387 20 0 CCADLP Cc1ccc2ncc(C[N@H+]3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)n2c1 ZINC000516878845 249186523 /nfs/dbraw/zinc/18/65/23/249186523.db2.gz YDJNQTJSAWJFCK-GXTWGEPZSA-N 2 2 299.378 0.387 20 0 CCADLP Cc1[nH]ncc1C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000517030564 249199842 /nfs/dbraw/zinc/19/98/42/249199842.db2.gz QIKSMPAIAFVIFK-CYBMUJFWSA-N 2 2 264.373 0.905 20 0 CCADLP Cc1[nH]ncc1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000517030564 249199845 /nfs/dbraw/zinc/19/98/45/249199845.db2.gz QIKSMPAIAFVIFK-CYBMUJFWSA-N 2 2 264.373 0.905 20 0 CCADLP O[C@H]1CCCC[C@@H]1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000517122849 249204324 /nfs/dbraw/zinc/20/43/24/249204324.db2.gz LCJKLNMOOBDRAP-QPSCCSFWSA-N 2 2 268.401 0.894 20 0 CCADLP C[NH+](C)CC(C)(C)CNC(=O)[C@H]([NH3+])c1cscn1 ZINC000518174876 249240864 /nfs/dbraw/zinc/24/08/64/249240864.db2.gz AMQRYUMNMGSPDV-SNVBAGLBSA-N 2 2 270.402 0.847 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCCS2)[C@H](C[NH3+])C1 ZINC000518345857 249246598 /nfs/dbraw/zinc/24/65/98/249246598.db2.gz WTFFKGWLRHPEIV-MNOVXSKESA-N 2 2 272.418 0.166 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCCS2)[C@H](C[NH3+])C1 ZINC000518345857 249246601 /nfs/dbraw/zinc/24/66/01/249246601.db2.gz WTFFKGWLRHPEIV-MNOVXSKESA-N 2 2 272.418 0.166 20 0 CCADLP Cn1c[nH+]cc1CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000517243634 249211421 /nfs/dbraw/zinc/21/14/21/249211421.db2.gz BGKJUFRBWIXOPO-UHFFFAOYSA-N 2 2 286.383 0.965 20 0 CCADLP CCn1cc([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)CCOC)cn1 ZINC000517244083 249211929 /nfs/dbraw/zinc/21/19/29/249211929.db2.gz BRYMWVMOKOVKCX-OCCSQVGLSA-N 2 2 284.404 0.493 20 0 CCADLP CCn1cc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)CCOC)cn1 ZINC000517244083 249211931 /nfs/dbraw/zinc/21/19/31/249211931.db2.gz BRYMWVMOKOVKCX-OCCSQVGLSA-N 2 2 284.404 0.493 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000517607420 249225971 /nfs/dbraw/zinc/22/59/71/249225971.db2.gz NXQOESQKTPZFTM-MFKMUULPSA-N 2 2 262.357 0.562 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000517607420 249225973 /nfs/dbraw/zinc/22/59/73/249225973.db2.gz NXQOESQKTPZFTM-MFKMUULPSA-N 2 2 262.357 0.562 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC000517757518 249231142 /nfs/dbraw/zinc/23/11/42/249231142.db2.gz SDQMPSQDFJXGBB-MCIONIFRSA-N 3 2 255.406 0.693 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC000517757518 249231144 /nfs/dbraw/zinc/23/11/44/249231144.db2.gz SDQMPSQDFJXGBB-MCIONIFRSA-N 3 2 255.406 0.693 20 0 CCADLP C[C@@H]1CN(c2cc(N3CCOCC3)[nH+]cn2)[C@@H](C)C[NH2+]1 ZINC000643023086 377692391 /nfs/dbraw/zinc/69/23/91/377692391.db2.gz NIQKLNYMHCHBIB-NEPJUHHUSA-N 2 2 277.372 0.500 20 0 CCADLP C[C@@H]1CN(c2cc(-n3cc[nH+]c3)ncn2)[C@H](C)C[NH2+]1 ZINC000643023128 377692755 /nfs/dbraw/zinc/69/27/55/377692755.db2.gz UERRYHOSSMDZJU-GHMZBOCLSA-N 2 2 258.329 0.849 20 0 CCADLP Cn1c2cc(F)ccc2[nH+]c1N1CCO[C@@H](C[NH3+])C1 ZINC000643027027 377694289 /nfs/dbraw/zinc/69/42/89/377694289.db2.gz PAWZIJGIBVJQHI-JTQLQIEISA-N 2 2 264.304 0.876 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)NCC1CCC1 ZINC000643077226 377712714 /nfs/dbraw/zinc/71/27/14/377712714.db2.gz GDOBAWMIWBQJQA-UHIISALHSA-N 2 2 253.390 0.879 20 0 CCADLP [NH3+]C[C@@H]([NH2+]CC(=O)Nc1ccon1)C1CCCCC1 ZINC000643078008 377712798 /nfs/dbraw/zinc/71/27/98/377712798.db2.gz JQWHYQJKYCOTQL-LLVKDONJSA-N 2 2 266.345 0.532 20 0 CCADLP Cc1nc(N[C@@H](C)C[NH+](C)C)cc(N[C@@H](C)C[NH+](C)C)[nH+]1 ZINC000574672156 335038546 /nfs/dbraw/zinc/03/85/46/335038546.db2.gz LPBZSHKEXYNNFQ-RYUDHWBXSA-N 3 2 294.447 0.931 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)CN2CC[N@H+](C)C(C)(C)C2)C[C@@H](C)O1 ZINC000574700847 335041033 /nfs/dbraw/zinc/04/10/33/335041033.db2.gz LCCRGYMBSGROSR-KFWWJZLASA-N 2 2 299.459 0.483 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)CN2CC[N@@H+](C)C(C)(C)C2)C[C@@H](C)O1 ZINC000574700847 335041035 /nfs/dbraw/zinc/04/10/35/335041035.db2.gz LCCRGYMBSGROSR-KFWWJZLASA-N 2 2 299.459 0.483 20 0 CCADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000569808402 291709849 /nfs/dbraw/zinc/70/98/49/291709849.db2.gz NXLKCKVBPPJRGC-NEPJUHHUSA-N 2 2 250.346 0.730 20 0 CCADLP NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278819442 194169817 /nfs/dbraw/zinc/16/98/17/194169817.db2.gz HLHSNAJVTKQCPD-UHFFFAOYSA-N 2 2 262.357 0.884 20 0 CCADLP CCCn1cc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cn1 ZINC000131355159 284803158 /nfs/dbraw/zinc/80/31/58/284803158.db2.gz BUSFESKPEIMILX-CYBMUJFWSA-N 2 2 254.378 0.695 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCCCF)C[C@@H](C)O1 ZINC000574750769 335044245 /nfs/dbraw/zinc/04/42/45/335044245.db2.gz CDWOKKRTQLXQKE-UPJWGTAASA-N 2 2 262.369 0.796 20 0 CCADLP CC1(C)NC(=O)CC[C@@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000570229445 291743248 /nfs/dbraw/zinc/74/32/48/291743248.db2.gz SYXUOJQLVPATQJ-MNOVXSKESA-N 2 2 262.357 0.845 20 0 CCADLP CC(C)OCC[C@@H](O)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000570325453 291748553 /nfs/dbraw/zinc/74/85/53/291748553.db2.gz KNVXCMIUQSDPTG-QWHCGFSZSA-N 2 2 267.373 0.964 20 0 CCADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cn1cc[nH+]c1 ZINC000279206471 194333406 /nfs/dbraw/zinc/33/34/06/194333406.db2.gz MUJPABKJSRPYFX-CYBMUJFWSA-N 2 2 292.383 0.595 20 0 CCADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Cn1cc[nH+]c1 ZINC000279206471 194333408 /nfs/dbraw/zinc/33/34/08/194333408.db2.gz MUJPABKJSRPYFX-CYBMUJFWSA-N 2 2 292.383 0.595 20 0 CCADLP O=C1CCCCN1CCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422861780 296317628 /nfs/dbraw/zinc/31/76/28/296317628.db2.gz OXVNICBDGMMTGK-HOCLYGCPSA-N 2 2 295.427 0.746 20 0 CCADLP CCOC[C@@H](O)C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000570625638 291769279 /nfs/dbraw/zinc/76/92/79/291769279.db2.gz DIBMKVNDSZRLNN-ZDUSSCGKSA-N 2 2 263.341 0.864 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CCCNC1=O ZINC000657284162 412951185 /nfs/dbraw/zinc/95/11/85/412951185.db2.gz QVZAXROHDPUXOQ-MDZLAQPJSA-N 2 2 251.374 0.585 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CCCNC1=O ZINC000657284162 412951192 /nfs/dbraw/zinc/95/11/92/412951192.db2.gz QVZAXROHDPUXOQ-MDZLAQPJSA-N 2 2 251.374 0.585 20 0 CCADLP C[C@@H]1CN(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CC[NH2+]1 ZINC000334966177 207378343 /nfs/dbraw/zinc/37/83/43/207378343.db2.gz GGJRTPMFRWHZEV-ZJUUUORDSA-N 2 2 276.331 0.235 20 0 CCADLP C[C@H](C[NH2+]Cc1c[nH+]c2n1CCC2)N1CC[NH+](C)CC1 ZINC000657349609 412966718 /nfs/dbraw/zinc/96/67/18/412966718.db2.gz SNLZENPKZXEOLH-CYBMUJFWSA-N 3 2 277.416 0.555 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657360365 412968135 /nfs/dbraw/zinc/96/81/35/412968135.db2.gz DVLUVLJZEQSPGC-SNVBAGLBSA-N 2 2 271.386 0.742 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247115211 285043079 /nfs/dbraw/zinc/04/30/79/285043079.db2.gz YNOMNFSAJOFNQG-WDEREUQCSA-N 2 2 270.377 0.247 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000247115211 285043081 /nfs/dbraw/zinc/04/30/81/285043081.db2.gz YNOMNFSAJOFNQG-WDEREUQCSA-N 2 2 270.377 0.247 20 0 CCADLP CCNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247115211 285043084 /nfs/dbraw/zinc/04/30/84/285043084.db2.gz YNOMNFSAJOFNQG-WDEREUQCSA-N 2 2 270.377 0.247 20 0 CCADLP CCNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247115211 285043086 /nfs/dbraw/zinc/04/30/86/285043086.db2.gz YNOMNFSAJOFNQG-WDEREUQCSA-N 2 2 270.377 0.247 20 0 CCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C1 ZINC000423259067 285055979 /nfs/dbraw/zinc/05/59/79/285055979.db2.gz NGUNRMDQZZRQHO-UONOGXRCSA-N 3 2 255.406 0.686 20 0 CCADLP COCC[N@H+]1CC[C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C1 ZINC000423259067 285055981 /nfs/dbraw/zinc/05/59/81/285055981.db2.gz NGUNRMDQZZRQHO-UONOGXRCSA-N 3 2 255.406 0.686 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](O)C(F)(F)F)C2)CC1 ZINC000248544544 285069196 /nfs/dbraw/zinc/06/91/96/285069196.db2.gz DAMUDPDAGLQUEV-NWDGAFQWSA-N 2 2 295.349 0.621 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](O)C(F)(F)F)C2)CC1 ZINC000248544544 285069201 /nfs/dbraw/zinc/06/92/01/285069201.db2.gz DAMUDPDAGLQUEV-NWDGAFQWSA-N 2 2 295.349 0.621 20 0 CCADLP O[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)C(F)(F)F ZINC000248572275 285069894 /nfs/dbraw/zinc/06/98/94/285069894.db2.gz MIYXKFCHQUESHJ-WDEREUQCSA-N 2 2 282.306 0.564 20 0 CCADLP O[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)C(F)(F)F ZINC000248572275 285069898 /nfs/dbraw/zinc/06/98/98/285069898.db2.gz MIYXKFCHQUESHJ-WDEREUQCSA-N 2 2 282.306 0.564 20 0 CCADLP C[C@H](CS(C)(=O)=O)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657360815 412974859 /nfs/dbraw/zinc/97/48/59/412974859.db2.gz UZODHGWAVCLDDZ-LLVKDONJSA-N 2 2 294.380 0.790 20 0 CCADLP [NH3+][C@@H](C(=O)N1CCC([NH3+])CC1)c1c(F)cccc1F ZINC000335379743 208319145 /nfs/dbraw/zinc/31/91/45/208319145.db2.gz JOTUTEICOJKFBY-GFCCVEGCSA-N 2 2 269.295 0.914 20 0 CCADLP [NH3+][C@H](C(=O)N1CC[C@H]([NH3+])C1)c1c(F)cccc1F ZINC000335407649 208389288 /nfs/dbraw/zinc/38/92/88/208389288.db2.gz SJJQSEJXLIDGBG-CPCISQLKSA-N 2 2 255.268 0.524 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)c2c[nH+]ccc2N)C[C@H]1C ZINC000249091467 285101815 /nfs/dbraw/zinc/10/18/15/285101815.db2.gz VZVFPBMLLPSZOB-MNOVXSKESA-N 2 2 278.356 0.191 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)c2c[nH+]ccc2N)C[C@H]1C ZINC000249091467 285101816 /nfs/dbraw/zinc/10/18/16/285101816.db2.gz VZVFPBMLLPSZOB-MNOVXSKESA-N 2 2 278.356 0.191 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(CC[NH+]2CCO[C@@H](C)C2)[C@@H](C)C1 ZINC000249294111 285109368 /nfs/dbraw/zinc/10/93/68/285109368.db2.gz QQKTUIYYQWUQSY-KKUMJFAQSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@H](O)C[NH+]1CCN(CC[N@@H+]2CCO[C@@H](C)C2)[C@@H](C)C1 ZINC000249294111 285109370 /nfs/dbraw/zinc/10/93/70/285109370.db2.gz QQKTUIYYQWUQSY-KKUMJFAQSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@H](O)C[NH+]1CCN(CC[N@H+]2CCO[C@@H](C)C2)[C@@H](C)C1 ZINC000249294111 285109371 /nfs/dbraw/zinc/10/93/71/285109371.db2.gz QQKTUIYYQWUQSY-KKUMJFAQSA-N 2 2 285.432 0.094 20 0 CCADLP COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000362714493 285110962 /nfs/dbraw/zinc/11/09/62/285110962.db2.gz WYDLKNKANWSTRX-QCEMKRCNSA-N 2 2 298.427 0.879 20 0 CCADLP COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000362714493 285110966 /nfs/dbraw/zinc/11/09/66/285110966.db2.gz WYDLKNKANWSTRX-QCEMKRCNSA-N 2 2 298.427 0.879 20 0 CCADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2nc(=O)[nH][nH]2)CC1 ZINC000289425681 197341192 /nfs/dbraw/zinc/34/11/92/197341192.db2.gz RECZAOFQFMFQJH-UHFFFAOYSA-N 2 2 289.339 0.845 20 0 CCADLP Cn1ncc(C2CC2)c1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000657437582 412987996 /nfs/dbraw/zinc/98/79/96/412987996.db2.gz VLFDCFBBZGVUPL-CQSZACIVSA-N 2 2 264.373 0.454 20 0 CCADLP Cn1ncc(C2CC2)c1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000657437582 412988002 /nfs/dbraw/zinc/98/80/02/412988002.db2.gz VLFDCFBBZGVUPL-CQSZACIVSA-N 2 2 264.373 0.454 20 0 CCADLP OC[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)C1CCOCC1 ZINC000657433159 412989744 /nfs/dbraw/zinc/98/97/44/412989744.db2.gz VWNVRHBTKPBKPX-CYBMUJFWSA-N 2 2 265.357 0.706 20 0 CCADLP CC[N@H+](CCO)CCNCc1[nH+]ccn1C(C)C ZINC000657438877 412992943 /nfs/dbraw/zinc/99/29/43/412992943.db2.gz WZDQFOBNKQTKLH-UHFFFAOYSA-N 2 2 254.378 0.868 20 0 CCADLP CC[N@@H+](CCO)CCNCc1[nH+]ccn1C(C)C ZINC000657438877 412992946 /nfs/dbraw/zinc/99/29/46/412992946.db2.gz WZDQFOBNKQTKLH-UHFFFAOYSA-N 2 2 254.378 0.868 20 0 CCADLP C[C@@H]1CN(c2cc(N3CCOCC3)[nH+]cn2)CC[NH2+]1 ZINC000258820142 285153050 /nfs/dbraw/zinc/15/30/50/285153050.db2.gz VXNCYCKYXUDADF-LLVKDONJSA-N 2 2 263.345 0.111 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[NH+](C(C)C)CC1 ZINC000297931859 285164443 /nfs/dbraw/zinc/16/44/43/285164443.db2.gz UUWZALMEQVWUKS-UHFFFAOYSA-N 2 2 250.346 0.744 20 0 CCADLP CNC(=O)[C@@]1(C)CC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000281193863 195142789 /nfs/dbraw/zinc/14/27/89/195142789.db2.gz RNLDCGZEJACQHY-ZDUSSCGKSA-N 2 2 250.346 0.650 20 0 CCADLP CNC(=O)[C@@]1(C)CC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000281193863 195142791 /nfs/dbraw/zinc/14/27/91/195142791.db2.gz RNLDCGZEJACQHY-ZDUSSCGKSA-N 2 2 250.346 0.650 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)Cc1occc1C ZINC000394034733 285213705 /nfs/dbraw/zinc/21/37/05/285213705.db2.gz FYDRZQOZQXLYCO-ZDUSSCGKSA-N 2 2 270.373 0.959 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)Cc1occc1C ZINC000394034733 285213709 /nfs/dbraw/zinc/21/37/09/285213709.db2.gz FYDRZQOZQXLYCO-ZDUSSCGKSA-N 2 2 270.373 0.959 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)Cc1occc1C ZINC000394034733 285213712 /nfs/dbraw/zinc/21/37/12/285213712.db2.gz FYDRZQOZQXLYCO-ZDUSSCGKSA-N 2 2 270.373 0.959 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)Cc1occc1C ZINC000394034733 285213715 /nfs/dbraw/zinc/21/37/15/285213715.db2.gz FYDRZQOZQXLYCO-ZDUSSCGKSA-N 2 2 270.373 0.959 20 0 CCADLP Cn1c2ccccc2[nH+]c1NC[C@H]1C[NH2+]CCN1C ZINC000394783829 285218474 /nfs/dbraw/zinc/21/84/74/285218474.db2.gz JABIXLRVTAMYGV-LLVKDONJSA-N 2 2 259.357 0.311 20 0 CCADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CC[C@@H](C)[NH3+])C1 ZINC000574874911 335054215 /nfs/dbraw/zinc/05/42/15/335054215.db2.gz VZJZADFFOKIULV-VXGBXAGGSA-N 2 2 285.388 0.115 20 0 CCADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)CC[C@@H](C)[NH3+])C1 ZINC000574874911 335054216 /nfs/dbraw/zinc/05/42/16/335054216.db2.gz VZJZADFFOKIULV-VXGBXAGGSA-N 2 2 285.388 0.115 20 0 CCADLP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C1(CO)CC1 ZINC000657606673 413035720 /nfs/dbraw/zinc/03/57/20/413035720.db2.gz ADKUOMMOOIKRJD-JTQLQIEISA-N 2 2 252.362 0.737 20 0 CCADLP OCC[NH+]1CCN(CCCC[NH2+]CC2(F)CC2)CC1 ZINC000525985520 285323685 /nfs/dbraw/zinc/32/36/85/285323685.db2.gz YMXXWZKHIIBCRX-UHFFFAOYSA-N 2 2 273.396 0.468 20 0 CCADLP O=C1C[C@@H]([NH2+]CC2(F)CC2)CN1CC[NH+]1CCOCC1 ZINC000525990544 285324935 /nfs/dbraw/zinc/32/49/35/285324935.db2.gz HUZATHQAMVTJHN-GFCCVEGCSA-N 2 2 285.363 0.011 20 0 CCADLP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccn[nH]1 ZINC000185875132 388816313 /nfs/dbraw/zinc/81/63/13/388816313.db2.gz SJOYVTYBYBKDPT-GFCCVEGCSA-N 2 2 251.378 0.525 20 0 CCADLP CC[N@@H+]1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)[C@H](C)C1 ZINC000286460331 388840857 /nfs/dbraw/zinc/84/08/57/388840857.db2.gz UXXHYFDDJOITDC-LLVKDONJSA-N 2 2 287.371 0.775 20 0 CCADLP CC[N@H+]1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)[C@H](C)C1 ZINC000286460331 388840862 /nfs/dbraw/zinc/84/08/62/388840862.db2.gz UXXHYFDDJOITDC-LLVKDONJSA-N 2 2 287.371 0.775 20 0 CCADLP [NH3+]CCCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000040832851 388856179 /nfs/dbraw/zinc/85/61/79/388856179.db2.gz DACIZNADFCHUQY-UHFFFAOYSA-N 2 2 291.395 0.874 20 0 CCADLP C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402253 388868869 /nfs/dbraw/zinc/86/88/69/388868869.db2.gz HNCGCNIUKUONCL-RKDXNWHRSA-N 2 2 281.360 0.349 20 0 CCADLP C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402253 388868874 /nfs/dbraw/zinc/86/88/74/388868874.db2.gz HNCGCNIUKUONCL-RKDXNWHRSA-N 2 2 281.360 0.349 20 0 CCADLP CO[C@H](C[NH3+])C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000289971062 388897922 /nfs/dbraw/zinc/89/79/22/388897922.db2.gz NJWXRCITSKETKG-CYBMUJFWSA-N 2 2 292.383 0.662 20 0 CCADLP COC[C@H](C)C[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000045657499 388874634 /nfs/dbraw/zinc/87/46/34/388874634.db2.gz QLKJNSDRYRLFHL-GFCCVEGCSA-N 2 2 271.405 0.411 20 0 CCADLP C[C@@H](NC(=O)c1coc(C[NH3+])c1)[C@H](C)[NH+]1CCOCC1 ZINC000188181564 388916807 /nfs/dbraw/zinc/91/68/07/388916807.db2.gz MXQXLIYCOGDERG-MNOVXSKESA-N 2 2 281.356 0.577 20 0 CCADLP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000049772890 388924078 /nfs/dbraw/zinc/92/40/78/388924078.db2.gz VSHCDKHZVLYGDI-ZDUSSCGKSA-N 2 2 297.399 0.036 20 0 CCADLP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000049772890 388924082 /nfs/dbraw/zinc/92/40/82/388924082.db2.gz VSHCDKHZVLYGDI-ZDUSSCGKSA-N 2 2 297.399 0.036 20 0 CCADLP CC[N@@H+]1CCCN(C(=O)NCc2c[nH+]cn2C)CC1 ZINC000292333240 388947915 /nfs/dbraw/zinc/94/79/15/388947915.db2.gz NDLMRBONABUUJK-UHFFFAOYSA-N 2 2 265.361 0.657 20 0 CCADLP CC[N@H+]1CCCN(C(=O)NCc2c[nH+]cn2C)CC1 ZINC000292333240 388947919 /nfs/dbraw/zinc/94/79/19/388947919.db2.gz NDLMRBONABUUJK-UHFFFAOYSA-N 2 2 265.361 0.657 20 0 CCADLP C[C@@H](CN1CCCC1=O)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000070143690 388954403 /nfs/dbraw/zinc/95/44/03/388954403.db2.gz MEFAGNDANHMOSJ-NSHDSACASA-N 2 2 279.388 0.587 20 0 CCADLP O[C@H](C[NH2+]Cc1cncnc1)C[N@@H+]1CCc2ccccc2C1 ZINC000292949657 388972160 /nfs/dbraw/zinc/97/21/60/388972160.db2.gz IOGKUHOWMUTAPP-QGZVFWFLSA-N 2 2 298.390 0.985 20 0 CCADLP O[C@H](C[NH2+]Cc1cncnc1)C[N@H+]1CCc2ccccc2C1 ZINC000292949657 388972166 /nfs/dbraw/zinc/97/21/66/388972166.db2.gz IOGKUHOWMUTAPP-QGZVFWFLSA-N 2 2 298.390 0.985 20 0 CCADLP CNC(=O)C[C@@H](C)[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000298419922 389017176 /nfs/dbraw/zinc/01/71/76/389017176.db2.gz QKIRMMKZJOSRFU-LLVKDONJSA-N 2 2 273.340 0.882 20 0 CCADLP C[NH+](C)C1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000301301765 389050819 /nfs/dbraw/zinc/05/08/19/389050819.db2.gz VMJWLYNHJCWCER-UHFFFAOYSA-N 2 2 291.399 0.844 20 0 CCADLP C[NH+](C)C1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000301301765 389050820 /nfs/dbraw/zinc/05/08/20/389050820.db2.gz VMJWLYNHJCWCER-UHFFFAOYSA-N 2 2 291.399 0.844 20 0 CCADLP CC[N@@H+]1CC[C@H]2OCCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC000355363408 389066603 /nfs/dbraw/zinc/06/66/03/389066603.db2.gz CDQBVIRIKPAFIE-CHWSQXEVSA-N 2 2 292.383 0.664 20 0 CCADLP CC[N@H+]1CC[C@H]2OCCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC000355363408 389066607 /nfs/dbraw/zinc/06/66/07/389066607.db2.gz CDQBVIRIKPAFIE-CHWSQXEVSA-N 2 2 292.383 0.664 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000106555447 389093362 /nfs/dbraw/zinc/09/33/62/389093362.db2.gz VQZWSNINMQYSHC-AWEZNQCLSA-N 2 2 299.463 0.262 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000106555447 389093364 /nfs/dbraw/zinc/09/33/64/389093364.db2.gz VQZWSNINMQYSHC-AWEZNQCLSA-N 2 2 299.463 0.262 20 0 CCADLP CCn1ncnc1CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000193455056 389069956 /nfs/dbraw/zinc/06/99/56/389069956.db2.gz OWKYYQNIAIXHNY-UHFFFAOYSA-N 2 2 294.447 0.756 20 0 CCADLP CCn1ncnc1CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000193455056 389069958 /nfs/dbraw/zinc/06/99/58/389069958.db2.gz OWKYYQNIAIXHNY-UHFFFAOYSA-N 2 2 294.447 0.756 20 0 CCADLP CC[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccncc1 ZINC000355444191 389078649 /nfs/dbraw/zinc/07/86/49/389078649.db2.gz DFZURVHOIUJGQH-UHFFFAOYSA-N 2 2 276.384 0.678 20 0 CCADLP CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccncc1 ZINC000355444191 389078652 /nfs/dbraw/zinc/07/86/52/389078652.db2.gz DFZURVHOIUJGQH-UHFFFAOYSA-N 2 2 276.384 0.678 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCCN2S(C)(=O)=O)C1 ZINC000338213023 389091307 /nfs/dbraw/zinc/09/13/07/389091307.db2.gz KNABWUQMASVHBJ-RWMBFGLXSA-N 2 2 289.445 0.340 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCCN2S(C)(=O)=O)C1 ZINC000338213023 389091309 /nfs/dbraw/zinc/09/13/09/389091309.db2.gz KNABWUQMASVHBJ-RWMBFGLXSA-N 2 2 289.445 0.340 20 0 CCADLP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358225339 389144783 /nfs/dbraw/zinc/14/47/83/389144783.db2.gz CPHIEVVIJZULEO-KWCYVHTRSA-N 2 2 253.390 0.125 20 0 CCADLP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358225339 389144784 /nfs/dbraw/zinc/14/47/84/389144784.db2.gz CPHIEVVIJZULEO-KWCYVHTRSA-N 2 2 253.390 0.125 20 0 CCADLP COC[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000121062057 389145947 /nfs/dbraw/zinc/14/59/47/389145947.db2.gz BSIOOFDJYIXAGE-CYBMUJFWSA-N 2 2 269.389 0.119 20 0 CCADLP COC[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000121062057 389145949 /nfs/dbraw/zinc/14/59/49/389145949.db2.gz BSIOOFDJYIXAGE-CYBMUJFWSA-N 2 2 269.389 0.119 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]C2CCN(C(=O)CCOC)CC2)C1 ZINC000358292125 389146957 /nfs/dbraw/zinc/14/69/57/389146957.db2.gz GZHTVMAVWCPVMZ-UKRRQHHQSA-N 2 2 297.443 0.944 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]C2CCN(C(=O)CCOC)CC2)C1 ZINC000358292125 389146960 /nfs/dbraw/zinc/14/69/60/389146960.db2.gz GZHTVMAVWCPVMZ-UKRRQHHQSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313348193 389113303 /nfs/dbraw/zinc/11/33/03/389113303.db2.gz KRDJRRQHSZQQQM-MGPQQGTHSA-N 2 2 283.416 0.826 20 0 CCADLP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313348193 389113305 /nfs/dbraw/zinc/11/33/05/389113305.db2.gz KRDJRRQHSZQQQM-MGPQQGTHSA-N 2 2 283.416 0.826 20 0 CCADLP CN(Cc1ccccc1)C(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313357767 389113377 /nfs/dbraw/zinc/11/33/77/389113377.db2.gz TWYJAHZAZXMGKB-HNNXBMFYSA-N 2 2 291.395 0.695 20 0 CCADLP CN(Cc1ccccc1)C(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313357767 389113378 /nfs/dbraw/zinc/11/33/78/389113378.db2.gz TWYJAHZAZXMGKB-HNNXBMFYSA-N 2 2 291.395 0.695 20 0 CCADLP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CC[NH+](CCO)CC1 ZINC000222882852 389142568 /nfs/dbraw/zinc/14/25/68/389142568.db2.gz QAJBMSXENMVRGU-IHRRRGAJSA-N 2 2 281.400 0.044 20 0 CCADLP COC(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129342122 389186327 /nfs/dbraw/zinc/18/63/27/389186327.db2.gz VFKWYYQHNASSPW-LBPRGKRZSA-N 2 2 256.346 0.204 20 0 CCADLP COC(=O)CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129342122 389186331 /nfs/dbraw/zinc/18/63/31/389186331.db2.gz VFKWYYQHNASSPW-LBPRGKRZSA-N 2 2 256.346 0.204 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000341261806 389186856 /nfs/dbraw/zinc/18/68/56/389186856.db2.gz DODQDCAZQUZDFJ-MROQNXINSA-N 2 2 269.389 0.162 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000341261806 389186858 /nfs/dbraw/zinc/18/68/58/389186858.db2.gz DODQDCAZQUZDFJ-MROQNXINSA-N 2 2 269.389 0.162 20 0 CCADLP CNc1[nH+]cnc2c1cnn2C[C@@H](O)C[N@H+](C)C1CC1 ZINC000329706830 389190493 /nfs/dbraw/zinc/19/04/93/389190493.db2.gz KFBLPCMBKRXBME-JTQLQIEISA-N 2 2 276.344 0.323 20 0 CCADLP CNc1[nH+]cnc2c1cnn2C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000329706830 389190495 /nfs/dbraw/zinc/19/04/95/389190495.db2.gz KFBLPCMBKRXBME-JTQLQIEISA-N 2 2 276.344 0.323 20 0 CCADLP CNc1[nH+]cnc2c1cnn2C[C@H](O)C[N@H+](C)C1CC1 ZINC000329706832 389190795 /nfs/dbraw/zinc/19/07/95/389190795.db2.gz KFBLPCMBKRXBME-SNVBAGLBSA-N 2 2 276.344 0.323 20 0 CCADLP CNc1[nH+]cnc2c1cnn2C[C@H](O)C[N@@H+](C)C1CC1 ZINC000329706832 389190799 /nfs/dbraw/zinc/19/07/99/389190799.db2.gz KFBLPCMBKRXBME-SNVBAGLBSA-N 2 2 276.344 0.323 20 0 CCADLP CC1(C)OCC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000340235155 389154563 /nfs/dbraw/zinc/15/45/63/389154563.db2.gz DCVYYICRMGTABL-VXGBXAGGSA-N 2 2 269.389 0.483 20 0 CCADLP CC1(C)OCC[C@H]1[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000340235155 389154566 /nfs/dbraw/zinc/15/45/66/389154566.db2.gz DCVYYICRMGTABL-VXGBXAGGSA-N 2 2 269.389 0.483 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000128426645 389177317 /nfs/dbraw/zinc/17/73/17/389177317.db2.gz UZVHSAWILDVDBO-QWHCGFSZSA-N 2 2 298.431 0.016 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000128426645 389177320 /nfs/dbraw/zinc/17/73/20/389177320.db2.gz UZVHSAWILDVDBO-QWHCGFSZSA-N 2 2 298.431 0.016 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H](CO)Cc1ccccc1 ZINC000133994970 389241627 /nfs/dbraw/zinc/24/16/27/389241627.db2.gz LEHVCJMZQGCFQJ-BPUTZDHNSA-N 2 2 278.396 0.947 20 0 CCADLP CC(C)N1CC[C@H]([N@@H+]2CC[C@@H](C[NH+](C)C)C2)C1=O ZINC000245456967 389208988 /nfs/dbraw/zinc/20/89/88/389208988.db2.gz BRHMEBBXWXCTSR-STQMWFEESA-N 2 2 253.390 0.879 20 0 CCADLP CC(C)N1CC[C@H]([N@H+]2CC[C@@H](C[NH+](C)C)C2)C1=O ZINC000245456967 389208989 /nfs/dbraw/zinc/20/89/89/389208989.db2.gz BRHMEBBXWXCTSR-STQMWFEESA-N 2 2 253.390 0.879 20 0 CCADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NC3CC3)CC[C@@H]21 ZINC000158527188 389344572 /nfs/dbraw/zinc/34/45/72/389344572.db2.gz APWUVOGELQOPPD-YPMHNXCESA-N 2 2 251.374 0.681 20 0 CCADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NC3CC3)CC[C@@H]21 ZINC000158527188 389344573 /nfs/dbraw/zinc/34/45/73/389344573.db2.gz APWUVOGELQOPPD-YPMHNXCESA-N 2 2 251.374 0.681 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NC3CC3)CC[C@@H]21 ZINC000158527188 389344577 /nfs/dbraw/zinc/34/45/77/389344577.db2.gz APWUVOGELQOPPD-YPMHNXCESA-N 2 2 251.374 0.681 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NC3CC3)CC[C@@H]21 ZINC000158527188 389344581 /nfs/dbraw/zinc/34/45/81/389344581.db2.gz APWUVOGELQOPPD-YPMHNXCESA-N 2 2 251.374 0.681 20 0 CCADLP COC(=O)CCNC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158540541 389344596 /nfs/dbraw/zinc/34/45/96/389344596.db2.gz PSGLVHMCIGOFSF-OLZOCXBDSA-N 2 2 297.399 0.082 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000264292887 389319051 /nfs/dbraw/zinc/31/90/51/389319051.db2.gz LZPLHUHTGGCKQU-LLVKDONJSA-N 2 2 265.361 0.656 20 0 CCADLP COC(=O)CCNC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158540541 389344601 /nfs/dbraw/zinc/34/46/01/389344601.db2.gz PSGLVHMCIGOFSF-OLZOCXBDSA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)CCNC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158540541 389344603 /nfs/dbraw/zinc/34/46/03/389344603.db2.gz PSGLVHMCIGOFSF-OLZOCXBDSA-N 2 2 297.399 0.082 20 0 CCADLP COC(=O)CCNC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158540541 389344607 /nfs/dbraw/zinc/34/46/07/389344607.db2.gz PSGLVHMCIGOFSF-OLZOCXBDSA-N 2 2 297.399 0.082 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](O)CC23CCC3)CC1 ZINC000420995271 389344315 /nfs/dbraw/zinc/34/43/15/389344315.db2.gz OLYSZJJKJJYHKF-CYBMUJFWSA-N 2 2 281.400 0.140 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](O)CC23CCC3)CC1 ZINC000420995271 389344318 /nfs/dbraw/zinc/34/43/18/389344318.db2.gz OLYSZJJKJJYHKF-CYBMUJFWSA-N 2 2 281.400 0.140 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261582509 389272178 /nfs/dbraw/zinc/27/21/78/389272178.db2.gz RHEPOBBODSEKQH-NEPJUHHUSA-N 2 2 250.346 0.920 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H]2CCOC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000343871361 389274938 /nfs/dbraw/zinc/27/49/38/389274938.db2.gz IWGHVEOXKCMMDQ-OAGGEKHMSA-N 2 2 281.444 0.981 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H]2CCOC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000343871361 389274940 /nfs/dbraw/zinc/27/49/40/389274940.db2.gz IWGHVEOXKCMMDQ-OAGGEKHMSA-N 2 2 281.444 0.981 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000152356279 389288923 /nfs/dbraw/zinc/28/89/23/389288923.db2.gz SFJQODVNNAVJGU-QLFBSQMISA-N 2 2 297.443 0.896 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000152356279 389288925 /nfs/dbraw/zinc/28/89/25/389288925.db2.gz SFJQODVNNAVJGU-QLFBSQMISA-N 2 2 297.443 0.896 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)C[C@H](C)O1 ZINC000152356279 389288927 /nfs/dbraw/zinc/28/89/27/389288927.db2.gz SFJQODVNNAVJGU-QLFBSQMISA-N 2 2 297.443 0.896 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000152356279 389288930 /nfs/dbraw/zinc/28/89/30/389288930.db2.gz SFJQODVNNAVJGU-QLFBSQMISA-N 2 2 297.443 0.896 20 0 CCADLP CN(C)c1ccc(CNC(=O)/C=C/C[NH+](C)C)c[nH+]1 ZINC000264649514 389341558 /nfs/dbraw/zinc/34/15/58/389341558.db2.gz SAFMGCSPGJAVBH-AATRIKPKSA-N 2 2 262.357 0.882 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000152564932 389291455 /nfs/dbraw/zinc/29/14/55/389291455.db2.gz XNSROUTVBYHUPT-GFCCVEGCSA-N 2 2 264.373 0.902 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000152564932 389291459 /nfs/dbraw/zinc/29/14/59/389291459.db2.gz XNSROUTVBYHUPT-GFCCVEGCSA-N 2 2 264.373 0.902 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262915978 389296604 /nfs/dbraw/zinc/29/66/04/389296604.db2.gz GILQTDSVCPVBBV-SCZZXKLOSA-N 2 2 259.300 0.337 20 0 CCADLP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263267193 389298594 /nfs/dbraw/zinc/29/85/94/389298594.db2.gz RSUIMFFKUGYURG-NXEZZACHSA-N 2 2 261.316 0.536 20 0 CCADLP CCO[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369276934 389391848 /nfs/dbraw/zinc/39/18/48/389391848.db2.gz JHPDRDTYHSSWTE-QWHCGFSZSA-N 2 2 283.416 0.696 20 0 CCADLP CCO[C@@H](C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369276934 389391853 /nfs/dbraw/zinc/39/18/53/389391853.db2.gz JHPDRDTYHSSWTE-QWHCGFSZSA-N 2 2 283.416 0.696 20 0 CCADLP COCCc1noc(C[N@H+](C)CCCn2cc[nH+]c2)n1 ZINC000162303504 389417751 /nfs/dbraw/zinc/41/77/51/389417751.db2.gz KKQJFSJZRNUWPF-UHFFFAOYSA-N 2 2 279.344 0.977 20 0 CCADLP CN(C)[C@@H](C(=O)N(C)C[C@H]1CCC[N@@H+]1C)c1c[nH+]cn1C ZINC000422039822 389394365 /nfs/dbraw/zinc/39/43/65/389394365.db2.gz RRCYWAHDKJJGEY-TZMCWYRMSA-N 2 2 293.415 0.575 20 0 CCADLP CN(C)[C@@H](C(=O)N(C)C[C@H]1CCC[N@H+]1C)c1c[nH+]cn1C ZINC000422039822 389394368 /nfs/dbraw/zinc/39/43/68/389394368.db2.gz RRCYWAHDKJJGEY-TZMCWYRMSA-N 2 2 293.415 0.575 20 0 CCADLP CN(C)c1cc(NC(=O)[C@@H]2CSC[NH2+]2)cc[nH+]1 ZINC000269275785 389411620 /nfs/dbraw/zinc/41/16/20/389411620.db2.gz WTUIWRQKDZKRDY-VIFPVBQESA-N 2 2 252.343 0.749 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421001637 389345273 /nfs/dbraw/zinc/34/52/73/389345273.db2.gz LHSJETFOMCONRF-UONOGXRCSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C[C@H]1CCC[N@H+]1C ZINC000421001637 389345275 /nfs/dbraw/zinc/34/52/75/389345275.db2.gz LHSJETFOMCONRF-UONOGXRCSA-N 2 2 255.406 0.733 20 0 CCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000347716456 389356556 /nfs/dbraw/zinc/35/65/56/389356556.db2.gz KBJYVKXAWQVBSD-HUUCEWRRSA-N 2 2 297.443 0.753 20 0 CCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000347716456 389356559 /nfs/dbraw/zinc/35/65/59/389356559.db2.gz KBJYVKXAWQVBSD-HUUCEWRRSA-N 2 2 297.443 0.753 20 0 CCADLP CC[N@@H+]1CCCN([C@H](C)C[NH+]2CCOCC2)CC1 ZINC000367762157 389357049 /nfs/dbraw/zinc/35/70/49/389357049.db2.gz BBHTVVQIPLBKAS-CQSZACIVSA-N 2 2 255.406 0.735 20 0 CCADLP CC[N@H+]1CCCN([C@H](C)C[NH+]2CCOCC2)CC1 ZINC000367762157 389357052 /nfs/dbraw/zinc/35/70/52/389357052.db2.gz BBHTVVQIPLBKAS-CQSZACIVSA-N 2 2 255.406 0.735 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)C1 ZINC000347812342 389359198 /nfs/dbraw/zinc/35/91/98/389359198.db2.gz QEVSVYXVKIGPAH-ZBFHGGJFSA-N 3 2 282.476 0.942 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)C1 ZINC000347812342 389359202 /nfs/dbraw/zinc/35/92/02/389359202.db2.gz QEVSVYXVKIGPAH-ZBFHGGJFSA-N 3 2 282.476 0.942 20 0 CCADLP CCCNC(=O)CC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422736082 389462349 /nfs/dbraw/zinc/46/23/49/389462349.db2.gz XEDRXAHINTUJAL-GXTWGEPZSA-N 2 2 269.389 0.259 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000272328963 389465587 /nfs/dbraw/zinc/46/55/87/389465587.db2.gz MDSPWBJDTWXCBQ-UHFFFAOYSA-N 2 2 291.395 0.385 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000422756436 389469069 /nfs/dbraw/zinc/46/90/69/389469069.db2.gz CLNQVAUFPRNXLS-RYUDHWBXSA-N 2 2 255.362 0.047 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000422756436 389469074 /nfs/dbraw/zinc/46/90/74/389469074.db2.gz CLNQVAUFPRNXLS-RYUDHWBXSA-N 2 2 255.362 0.047 20 0 CCADLP CC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)[C@@H]1CCC[NH2+]1 ZINC000422769107 389471149 /nfs/dbraw/zinc/47/11/49/389471149.db2.gz UJLDSYFKTZYJJC-GJZGRUSLSA-N 3 2 269.433 0.953 20 0 CCADLP CC[NH2+]CCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000422783984 389475075 /nfs/dbraw/zinc/47/50/75/389475075.db2.gz LRDCMGITUIDTJV-UHFFFAOYSA-N 2 2 259.313 0.607 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000334382902 389479854 /nfs/dbraw/zinc/47/98/54/389479854.db2.gz GVKDFQNXEMIRMO-ZDUSSCGKSA-N 2 2 265.332 0.860 20 0 CCADLP CC[C@H]([NH2+]CCS(=O)(=O)N(CC)CC)[C@@H]1CCC[NH2+]1 ZINC000422862593 389494844 /nfs/dbraw/zinc/49/48/44/389494844.db2.gz QIHJPPJGIGJCQJ-STQMWFEESA-N 2 2 291.461 0.778 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000422864331 389495039 /nfs/dbraw/zinc/49/50/39/389495039.db2.gz UQTPIQBCDCXTHS-VHDGCEQUSA-N 2 2 295.427 0.887 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000422864331 389495043 /nfs/dbraw/zinc/49/50/43/389495043.db2.gz UQTPIQBCDCXTHS-VHDGCEQUSA-N 2 2 295.427 0.887 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000274135924 389488861 /nfs/dbraw/zinc/48/88/61/389488861.db2.gz CPHQZVUCDXFZKZ-ZDUSSCGKSA-N 2 2 277.372 0.727 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000274135924 389488865 /nfs/dbraw/zinc/48/88/65/389488865.db2.gz CPHQZVUCDXFZKZ-ZDUSSCGKSA-N 2 2 277.372 0.727 20 0 CCADLP O=C(CN1CC[NH2+]CC1=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000164380205 389435108 /nfs/dbraw/zinc/43/51/08/389435108.db2.gz QLZYQLRCLQGHJK-UHFFFAOYSA-N 2 2 299.334 0.243 20 0 CCADLP C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)C[C@H]1n1cc[nH+]c1 ZINC000333753351 389442389 /nfs/dbraw/zinc/44/23/89/389442389.db2.gz ZIWOWDVMCHZFTE-JHJVBQTASA-N 2 2 277.372 0.838 20 0 CCADLP COCC[NH2+]CCNC(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000422609764 389446053 /nfs/dbraw/zinc/44/60/53/389446053.db2.gz OTBFXRRZNAEDGB-UHFFFAOYSA-N 2 2 280.372 0.734 20 0 CCADLP C[C@@H](NC(=O)C(C)(C)C[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000167688971 389446957 /nfs/dbraw/zinc/44/69/57/389446957.db2.gz MFGCLZPDOVCTJU-MNOVXSKESA-N 2 2 257.378 0.197 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)[C@@H]2CCCC[NH2+]2)C[C@@H]1C ZINC000168021183 389448561 /nfs/dbraw/zinc/44/85/61/389448561.db2.gz AURFQADJWJWAPU-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP COCC[N@H+]1CCN(C(=O)[C@@H]2CCCC[NH2+]2)C[C@@H]1C ZINC000168021183 389448564 /nfs/dbraw/zinc/44/85/64/389448564.db2.gz AURFQADJWJWAPU-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000349877300 389450060 /nfs/dbraw/zinc/45/00/60/389450060.db2.gz NEDZSDNZGSUPGD-UONOGXRCSA-N 2 2 299.463 0.262 20 0 CCADLP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000349877300 389450062 /nfs/dbraw/zinc/45/00/62/389450062.db2.gz NEDZSDNZGSUPGD-UONOGXRCSA-N 2 2 299.463 0.262 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)C1 ZINC000334051197 389454341 /nfs/dbraw/zinc/45/43/41/389454341.db2.gz RXSCHANNMWKAFZ-IHRRRGAJSA-N 2 2 298.431 0.489 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000422701751 389454410 /nfs/dbraw/zinc/45/44/10/389454410.db2.gz CLNQVAUFPRNXLS-VXGBXAGGSA-N 2 2 255.362 0.047 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000422701751 389454414 /nfs/dbraw/zinc/45/44/14/389454414.db2.gz CLNQVAUFPRNXLS-VXGBXAGGSA-N 2 2 255.362 0.047 20 0 CCADLP COCCN1CCC[C@@H]1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422710412 389456444 /nfs/dbraw/zinc/45/64/44/389456444.db2.gz LFNMCFIGYAEEMW-OAGGEKHMSA-N 2 2 297.443 0.454 20 0 CCADLP CC[C@H](C(=O)NC(C)(C)C[NH+]1CCN(CC)CC1)[NH+](C)C ZINC000413847404 389568588 /nfs/dbraw/zinc/56/85/88/389568588.db2.gz UGLLNCHINREQCC-CQSZACIVSA-N 2 2 298.475 0.859 20 0 CCADLP CCN(CC)C(=O)CCC[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000422954026 389510478 /nfs/dbraw/zinc/51/04/78/389510478.db2.gz GWWSBGXCCVZUFZ-KGLIPLIRSA-N 2 2 285.432 0.992 20 0 CCADLP CCC(O)(CC)C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422969743 389512460 /nfs/dbraw/zinc/51/24/60/389512460.db2.gz DMNFBZXSEQYRCC-CHWSQXEVSA-N 2 2 256.390 0.894 20 0 CCADLP CN(C(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)C1CC1 ZINC000334991151 389518817 /nfs/dbraw/zinc/51/88/17/389518817.db2.gz ARZFIKMPFDSFOC-AWEZNQCLSA-N 2 2 251.374 0.683 20 0 CCADLP CN(C(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)C1CC1 ZINC000334991151 389518820 /nfs/dbraw/zinc/51/88/20/389518820.db2.gz ARZFIKMPFDSFOC-AWEZNQCLSA-N 2 2 251.374 0.683 20 0 CCADLP COC(=O)[C@H]1CN(c2cccc(C)[nH+]2)CC[N@H+](C)C1 ZINC000413500873 389524795 /nfs/dbraw/zinc/52/47/95/389524795.db2.gz OSVINYSPZWSHLN-GFCCVEGCSA-N 2 2 263.341 0.931 20 0 CCADLP COC(=O)[C@H]1CN(c2cccc(C)[nH+]2)CC[N@@H+](C)C1 ZINC000413500873 389524800 /nfs/dbraw/zinc/52/48/00/389524800.db2.gz OSVINYSPZWSHLN-GFCCVEGCSA-N 2 2 263.341 0.931 20 0 CCADLP CO[C@@H]1CC[C@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000423071487 389530031 /nfs/dbraw/zinc/53/00/31/389530031.db2.gz OKPXAARVWUZFMO-RFQIPJPRSA-N 2 2 254.374 0.911 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1(N2CCOCC2)CC1 ZINC000423075400 389530501 /nfs/dbraw/zinc/53/05/01/389530501.db2.gz OLLNNHPCLCBGAT-CHWSQXEVSA-N 2 2 253.390 0.439 20 0 CCADLP CC[C@@H]1CN(CC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CCO1 ZINC000423087856 389531938 /nfs/dbraw/zinc/53/19/38/389531938.db2.gz OUWDPWBOLKBPEJ-MGPQQGTHSA-N 2 2 255.406 0.685 20 0 CCADLP CC[C@@H]1C[N@H+](CCN[C@@H]2C[NH2+]CC[C@H]2C)CCO1 ZINC000423087856 389531942 /nfs/dbraw/zinc/53/19/42/389531942.db2.gz OUWDPWBOLKBPEJ-MGPQQGTHSA-N 2 2 255.406 0.685 20 0 CCADLP CC[C@@H]1C[N@@H+](CCN[C@@H]2C[NH2+]CC[C@H]2C)CCO1 ZINC000423087856 389531945 /nfs/dbraw/zinc/53/19/45/389531945.db2.gz OUWDPWBOLKBPEJ-MGPQQGTHSA-N 2 2 255.406 0.685 20 0 CCADLP O=C(N1CCCC1)N1CCC[C@@H]([NH2+][C@H]2CC[NH2+]C2)C1 ZINC000335028087 389532011 /nfs/dbraw/zinc/53/20/11/389532011.db2.gz WHQZYOKKYPYZKZ-QWHCGFSZSA-N 2 2 266.389 0.618 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NC(=O)NCC)C1 ZINC000174963077 389533063 /nfs/dbraw/zinc/53/30/63/389533063.db2.gz CQJJAPZCMWTLBN-STQMWFEESA-N 2 2 298.431 0.884 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NC(=O)NCC)C1 ZINC000174963077 389533068 /nfs/dbraw/zinc/53/30/68/389533068.db2.gz CQJJAPZCMWTLBN-STQMWFEESA-N 2 2 298.431 0.884 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NCC)C1 ZINC000174963077 389533070 /nfs/dbraw/zinc/53/30/70/389533070.db2.gz CQJJAPZCMWTLBN-STQMWFEESA-N 2 2 298.431 0.884 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NCC)C1 ZINC000174963077 389533074 /nfs/dbraw/zinc/53/30/74/389533074.db2.gz CQJJAPZCMWTLBN-STQMWFEESA-N 2 2 298.431 0.884 20 0 CCADLP CCOC1CC(O)(C[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)C1 ZINC000423091551 389533092 /nfs/dbraw/zinc/53/30/92/389533092.db2.gz XNJWYQBZWUONIQ-FEPKRQSRSA-N 2 2 272.389 0.273 20 0 CCADLP O=C(Cc1ccccc1)N1CC[C@H]([NH2+][C@H]2CC[NH2+]C2)C1 ZINC000423113095 389536052 /nfs/dbraw/zinc/53/60/52/389536052.db2.gz YJWXIWHFZUUQGG-GJZGRUSLSA-N 2 2 273.380 0.782 20 0 CCADLP C[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)[C@@H]1CCC[NH2+]1 ZINC000423116225 389537503 /nfs/dbraw/zinc/53/75/03/389537503.db2.gz ZYTTVDAIUVHDJI-XQQFMLRXSA-N 2 2 289.445 0.531 20 0 CCADLP FC(F)OCCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423116510 389537555 /nfs/dbraw/zinc/53/75/55/389537555.db2.gz QCWYCGIYYLPHIL-WDEREUQCSA-N 2 2 264.316 0.972 20 0 CCADLP OC[C@H](C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000423141191 389542098 /nfs/dbraw/zinc/54/20/98/389542098.db2.gz ONGQAQWBGDAAAX-MELADBBJSA-N 2 2 254.374 0.362 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCSC[C@@H]2C2CCC2)CC1 ZINC000335195375 389542647 /nfs/dbraw/zinc/54/26/47/389542647.db2.gz MSZSIEJHRSRNNS-CQSZACIVSA-N 2 2 297.468 0.978 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCSC[C@@H]2C2CCC2)CC1 ZINC000335195375 389542649 /nfs/dbraw/zinc/54/26/49/389542649.db2.gz MSZSIEJHRSRNNS-CQSZACIVSA-N 2 2 297.468 0.978 20 0 CCADLP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000423144186 389543553 /nfs/dbraw/zinc/54/35/53/389543553.db2.gz GGTDZYYJXXWROP-UONOGXRCSA-N 3 2 257.422 0.940 20 0 CCADLP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000423144186 389543557 /nfs/dbraw/zinc/54/35/57/389543557.db2.gz GGTDZYYJXXWROP-UONOGXRCSA-N 3 2 257.422 0.940 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423347536 389570578 /nfs/dbraw/zinc/57/05/78/389570578.db2.gz ROERNKKZXGMERQ-HZSPNIEDSA-N 3 2 255.406 0.733 20 0 CCADLP CC[NH+](CC)CCC[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000276881190 389548932 /nfs/dbraw/zinc/54/89/32/389548932.db2.gz IWRGPDGZMCCIEU-UHFFFAOYSA-N 2 2 264.373 0.860 20 0 CCADLP CC[NH+](CC)CCC[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000276881190 389548939 /nfs/dbraw/zinc/54/89/39/389548939.db2.gz IWRGPDGZMCCIEU-UHFFFAOYSA-N 2 2 264.373 0.860 20 0 CCADLP CCNC(=O)NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374207282 389558060 /nfs/dbraw/zinc/55/80/60/389558060.db2.gz IKRGWKWQPJAUDF-UHFFFAOYSA-N 2 2 279.344 0.435 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1NCC([NH3+])(CC)CC ZINC000423292609 389559729 /nfs/dbraw/zinc/55/97/29/389559729.db2.gz NKUWSECLTYMFST-QWRGUYRKSA-N 2 2 257.378 0.387 20 0 CCADLP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CC([NH3+])(CC)CC ZINC000423292609 389559734 /nfs/dbraw/zinc/55/97/34/389559734.db2.gz NKUWSECLTYMFST-QWRGUYRKSA-N 2 2 257.378 0.387 20 0 CCADLP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422876811 389497532 /nfs/dbraw/zinc/49/75/32/389497532.db2.gz QOXHNPQEAFOCNU-MEYUZBJRSA-N 2 2 279.428 0.826 20 0 CCADLP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)[C@@H](C)N1CCOCC1 ZINC000414326875 389611381 /nfs/dbraw/zinc/61/13/81/389611381.db2.gz FQDMWCCFXUOGTF-CHWSQXEVSA-N 2 2 295.431 0.685 20 0 CCADLP CN(C)C(=O)CC1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351592968 389625462 /nfs/dbraw/zinc/62/54/62/389625462.db2.gz LPHKJGWIKZIBBA-OAHLLOKOSA-N 2 2 297.443 0.632 20 0 CCADLP CN(C)C(=O)CC1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351592968 389625463 /nfs/dbraw/zinc/62/54/63/389625463.db2.gz LPHKJGWIKZIBBA-OAHLLOKOSA-N 2 2 297.443 0.632 20 0 CCADLP Cc1nc(CN2CC[NH+](CCC[NH3+])CC2)cs1 ZINC000414674797 389626373 /nfs/dbraw/zinc/62/63/73/389626373.db2.gz FFGLXMLEGDRZFP-UHFFFAOYSA-N 2 2 254.403 0.918 20 0 CCADLP CC[C@@]1(CO)CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351604961 389629041 /nfs/dbraw/zinc/62/90/41/389629041.db2.gz GRVOPUOKKVECDS-HUUCEWRRSA-N 2 2 270.417 0.926 20 0 CCADLP CC[C@@]1(CO)CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351604961 389629044 /nfs/dbraw/zinc/62/90/44/389629044.db2.gz GRVOPUOKKVECDS-HUUCEWRRSA-N 2 2 270.417 0.926 20 0 CCADLP CC[C@@]1(CO)CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000351604961 389629046 /nfs/dbraw/zinc/62/90/46/389629046.db2.gz GRVOPUOKKVECDS-HUUCEWRRSA-N 2 2 270.417 0.926 20 0 CCADLP CC[C@@]1(CO)CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351604961 389629047 /nfs/dbraw/zinc/62/90/47/389629047.db2.gz GRVOPUOKKVECDS-HUUCEWRRSA-N 2 2 270.417 0.926 20 0 CCADLP CCCn1nc(C)c(C[NH2+]C[C@@H]2C[NH2+]CCN2C)c1C ZINC000414963483 389648027 /nfs/dbraw/zinc/64/80/27/389648027.db2.gz KWDSRNHBLZVGRU-AWEZNQCLSA-N 2 2 279.432 0.903 20 0 CCADLP Cc1c[nH]nc1C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000414717741 389632118 /nfs/dbraw/zinc/63/21/18/389632118.db2.gz UVFZPYOQBOSFCI-LBPRGKRZSA-N 2 2 277.372 0.114 20 0 CCADLP Cc1c[nH]nc1C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000414717741 389632123 /nfs/dbraw/zinc/63/21/23/389632123.db2.gz UVFZPYOQBOSFCI-LBPRGKRZSA-N 2 2 277.372 0.114 20 0 CCADLP CCOC(=O)c1cnc(N2CC[NH+](CCC[NH3+])CC2)s1 ZINC000414742273 389634371 /nfs/dbraw/zinc/63/43/71/389634371.db2.gz LUIPNFCNKDNGCG-UHFFFAOYSA-N 2 2 298.412 0.791 20 0 CCADLP COC(=O)c1cn([C@H]2CC[N@H+](C[C@H]([NH3+])CC(C)C)C2)nn1 ZINC000414758612 389635203 /nfs/dbraw/zinc/63/52/03/389635203.db2.gz MUYJBXQTXFVVCZ-NEPJUHHUSA-N 2 2 295.387 0.685 20 0 CCADLP COC(=O)c1cn([C@H]2CC[N@@H+](C[C@H]([NH3+])CC(C)C)C2)nn1 ZINC000414758612 389635205 /nfs/dbraw/zinc/63/52/05/389635205.db2.gz MUYJBXQTXFVVCZ-NEPJUHHUSA-N 2 2 295.387 0.685 20 0 CCADLP COCCO[C@@H]1C[C@H](CO)C[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414756271 389635605 /nfs/dbraw/zinc/63/56/05/389635605.db2.gz JIPQXWLYCSLIKG-RRFJBIMHSA-N 2 2 288.432 0.706 20 0 CCADLP COCCO[C@@H]1C[C@H](CO)C[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000414756271 389635609 /nfs/dbraw/zinc/63/56/09/389635609.db2.gz JIPQXWLYCSLIKG-RRFJBIMHSA-N 2 2 288.432 0.706 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000414767133 389636793 /nfs/dbraw/zinc/63/67/93/389636793.db2.gz SEKWIFFDWATANL-ZIAGYGMSSA-N 3 2 284.448 0.679 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000414767133 389636799 /nfs/dbraw/zinc/63/67/99/389636799.db2.gz SEKWIFFDWATANL-ZIAGYGMSSA-N 3 2 284.448 0.679 20 0 CCADLP CCOC(=O)Cn1nc(C)c(C[N@H+](C)C2CC([NH3+])C2)c1C ZINC000414783346 389638336 /nfs/dbraw/zinc/63/83/36/389638336.db2.gz YYHKGMBZZMKBHK-UHFFFAOYSA-N 2 2 294.399 0.985 20 0 CCADLP CCOC(=O)Cn1nc(C)c(C[N@@H+](C)C2CC([NH3+])C2)c1C ZINC000414783346 389638340 /nfs/dbraw/zinc/63/83/40/389638340.db2.gz YYHKGMBZZMKBHK-UHFFFAOYSA-N 2 2 294.399 0.985 20 0 CCADLP COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@@H]1C ZINC000351637869 389643372 /nfs/dbraw/zinc/64/33/72/389643372.db2.gz WCWGPWKSSOAAKI-FPMFFAJLSA-N 2 2 284.400 0.573 20 0 CCADLP COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@@H]1C ZINC000351637869 389643375 /nfs/dbraw/zinc/64/33/75/389643375.db2.gz WCWGPWKSSOAAKI-FPMFFAJLSA-N 2 2 284.400 0.573 20 0 CCADLP COC(=O)[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C[C@@H]1C ZINC000351637869 389643380 /nfs/dbraw/zinc/64/33/80/389643380.db2.gz WCWGPWKSSOAAKI-FPMFFAJLSA-N 2 2 284.400 0.573 20 0 CCADLP COC(=O)[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C[C@@H]1C ZINC000351637869 389643382 /nfs/dbraw/zinc/64/33/82/389643382.db2.gz WCWGPWKSSOAAKI-FPMFFAJLSA-N 2 2 284.400 0.573 20 0 CCADLP CN(C(=O)CCc1[nH]cc[nH+]1)[C@@H]1CCC[N@H+](C)C1 ZINC000279403884 389572936 /nfs/dbraw/zinc/57/29/36/389572936.db2.gz JUVPDVZTOBKCQF-LLVKDONJSA-N 2 2 250.346 0.895 20 0 CCADLP CN(C(=O)CCc1[nH]cc[nH+]1)[C@@H]1CCC[N@@H+](C)C1 ZINC000279403884 389572940 /nfs/dbraw/zinc/57/29/40/389572940.db2.gz JUVPDVZTOBKCQF-LLVKDONJSA-N 2 2 250.346 0.895 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423404123 389580274 /nfs/dbraw/zinc/58/02/74/389580274.db2.gz SOBVVJBXUGFNFK-BTFPBAQTSA-N 3 2 267.417 0.874 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]CC2(COC)CC[NH2+]CC2)[C@@H](C)C1 ZINC000423405456 389581224 /nfs/dbraw/zinc/58/12/24/389581224.db2.gz JHHFGNRRCGOJTJ-KBPBESRZSA-N 3 2 269.433 0.932 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]CC2(COC)CC[NH2+]CC2)[C@@H](C)C1 ZINC000423405456 389581228 /nfs/dbraw/zinc/58/12/28/389581228.db2.gz JHHFGNRRCGOJTJ-KBPBESRZSA-N 3 2 269.433 0.932 20 0 CCADLP COc1coc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1=O ZINC000351477312 389585855 /nfs/dbraw/zinc/58/58/55/389585855.db2.gz NGNUQSHTMCVCQM-DLOVCJGASA-N 2 2 264.325 0.818 20 0 CCADLP COc1coc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1=O ZINC000351477312 389585860 /nfs/dbraw/zinc/58/58/60/389585860.db2.gz NGNUQSHTMCVCQM-DLOVCJGASA-N 2 2 264.325 0.818 20 0 CCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C2(C)C[NH2+]C2)CC1 ZINC000423458286 389589673 /nfs/dbraw/zinc/58/96/73/389589673.db2.gz PUHPMXKUYBVDTE-CYBMUJFWSA-N 2 2 288.395 0.896 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n(C)n1 ZINC000351487874 389590517 /nfs/dbraw/zinc/59/05/17/389590517.db2.gz DAOHNRSIQJYYDA-QJPTWQEYSA-N 2 2 277.372 0.336 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n(C)n1 ZINC000351487874 389590520 /nfs/dbraw/zinc/59/05/20/389590520.db2.gz DAOHNRSIQJYYDA-QJPTWQEYSA-N 2 2 277.372 0.336 20 0 CCADLP CN(C(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)c1nccs1 ZINC000351493143 389593295 /nfs/dbraw/zinc/59/32/95/389593295.db2.gz LYZVKEAXGHZFDS-GARJFASQSA-N 2 2 280.397 0.775 20 0 CCADLP CN(C(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)c1nccs1 ZINC000351493143 389593301 /nfs/dbraw/zinc/59/33/01/389593301.db2.gz LYZVKEAXGHZFDS-GARJFASQSA-N 2 2 280.397 0.775 20 0 CCADLP CCn1nccc1C[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000414938263 389645995 /nfs/dbraw/zinc/64/59/95/389645995.db2.gz DZWWIFCTPDALBF-ZDUSSCGKSA-N 2 2 252.362 0.761 20 0 CCADLP CC[C@@H](C(=O)NCC[N@@H+]1CCOCC1(C)C)[NH+](C)C ZINC000178030468 389595818 /nfs/dbraw/zinc/59/58/18/389595818.db2.gz JEOCTVBANNBSIA-LBPRGKRZSA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@@H](C(=O)NCC[N@H+]1CCOCC1(C)C)[NH+](C)C ZINC000178030468 389595821 /nfs/dbraw/zinc/59/58/21/389595821.db2.gz JEOCTVBANNBSIA-LBPRGKRZSA-N 2 2 271.405 0.554 20 0 CCADLP COc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCN2C)cc1O ZINC000423511178 389597517 /nfs/dbraw/zinc/59/75/17/389597517.db2.gz JXZFXZQIHLAOAG-AAEUAGOBSA-N 2 2 279.384 0.955 20 0 CCADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1cccc(CO)c1 ZINC000423522095 389599726 /nfs/dbraw/zinc/59/97/26/389599726.db2.gz RHRLLSQWVJRBEW-DOMZBBRYSA-N 2 2 263.385 0.733 20 0 CCADLP CC[N@@H+]1CCCN(C(=O)[C@H](C)[NH+]2CCSCC2)CC1 ZINC000335739703 389601768 /nfs/dbraw/zinc/60/17/68/389601768.db2.gz IBTQXTVBQJXLTH-ZDUSSCGKSA-N 2 2 285.457 0.978 20 0 CCADLP CC[N@H+]1CCCN(C(=O)[C@H](C)[NH+]2CCSCC2)CC1 ZINC000335739703 389601770 /nfs/dbraw/zinc/60/17/70/389601770.db2.gz IBTQXTVBQJXLTH-ZDUSSCGKSA-N 2 2 285.457 0.978 20 0 CCADLP CC1(C)[C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)[C@@H]2CCCO[C@H]21 ZINC000423572623 389602521 /nfs/dbraw/zinc/60/25/21/389602521.db2.gz OINYMRQCOIPVRC-WUHRBBMRSA-N 2 2 254.374 0.768 20 0 CCADLP CCN(CC)c1ncc(C[NH2+]C[C@H]2C[NH2+]CCN2C)s1 ZINC000414970189 389649435 /nfs/dbraw/zinc/64/94/35/389649435.db2.gz UJWRQRCKGRLAJR-GFCCVEGCSA-N 2 2 297.472 0.983 20 0 CCADLP COc1cc2c(c(C[N@H+](C)C[C@H](O)C[NH3+])c1)O[C@H](C)C2 ZINC000415055450 389654736 /nfs/dbraw/zinc/65/47/36/389654736.db2.gz NAWAVXBBVMBXAZ-ZWNOBZJWSA-N 2 2 280.368 0.770 20 0 CCADLP COc1cc2c(c(C[N@@H+](C)C[C@H](O)C[NH3+])c1)O[C@H](C)C2 ZINC000415055450 389654738 /nfs/dbraw/zinc/65/47/38/389654738.db2.gz NAWAVXBBVMBXAZ-ZWNOBZJWSA-N 2 2 280.368 0.770 20 0 CCADLP COc1cc(C)c(C[N@H+](C)C[C@H](O)C[NH3+])c(C)n1 ZINC000415069591 389655437 /nfs/dbraw/zinc/65/54/37/389655437.db2.gz PDZFNEWBCSXHED-LLVKDONJSA-N 2 2 253.346 0.458 20 0 CCADLP COc1cc(C)c(C[N@@H+](C)C[C@H](O)C[NH3+])c(C)n1 ZINC000415069591 389655439 /nfs/dbraw/zinc/65/54/39/389655439.db2.gz PDZFNEWBCSXHED-LLVKDONJSA-N 2 2 253.346 0.458 20 0 CCADLP Cc1nn2c(C[N@H+](C)C[C@@H](O)C[NH3+])c(C(C)C)nc2s1 ZINC000415067700 389655759 /nfs/dbraw/zinc/65/57/59/389655759.db2.gz KYSCZHYOLZMWPU-JTQLQIEISA-N 2 2 297.428 0.974 20 0 CCADLP Cc1nn2c(C[N@@H+](C)C[C@@H](O)C[NH3+])c(C(C)C)nc2s1 ZINC000415067700 389655763 /nfs/dbraw/zinc/65/57/63/389655763.db2.gz KYSCZHYOLZMWPU-JTQLQIEISA-N 2 2 297.428 0.974 20 0 CCADLP c1cnn(-c2ccc(C[NH2+]C[C@@H]3C[NH2+]CCO3)cc2)c1 ZINC000415096694 389658472 /nfs/dbraw/zinc/65/84/72/389658472.db2.gz QITJCMSVYZADAW-HNNXBMFYSA-N 2 2 272.352 0.950 20 0 CCADLP NC(=O)[C@H](C[NH2+][C@H]1CCC[NH2+]C1)Cc1ccc(F)cc1 ZINC000415103475 389659404 /nfs/dbraw/zinc/65/94/04/389659404.db2.gz KJDYLXDSKDXCCY-JSGCOSHPSA-N 2 2 279.359 0.811 20 0 CCADLP CCOCCO[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351710448 389663258 /nfs/dbraw/zinc/66/32/58/389663258.db2.gz QSQLPYTUMLXPCR-GJZGRUSLSA-N 2 2 286.416 0.569 20 0 CCADLP CCOCCO[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351710448 389663262 /nfs/dbraw/zinc/66/32/62/389663262.db2.gz QSQLPYTUMLXPCR-GJZGRUSLSA-N 2 2 286.416 0.569 20 0 CCADLP CCOCCO[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000351710448 389663265 /nfs/dbraw/zinc/66/32/65/389663265.db2.gz QSQLPYTUMLXPCR-GJZGRUSLSA-N 2 2 286.416 0.569 20 0 CCADLP CCOCCO[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351710448 389663268 /nfs/dbraw/zinc/66/32/68/389663268.db2.gz QSQLPYTUMLXPCR-GJZGRUSLSA-N 2 2 286.416 0.569 20 0 CCADLP C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(C)[nH+]c2C)C1 ZINC000415375968 389678946 /nfs/dbraw/zinc/67/89/46/389678946.db2.gz MORXJBINSQKHJX-LBPRGKRZSA-N 2 2 290.367 0.847 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428347693 389693694 /nfs/dbraw/zinc/69/36/94/389693694.db2.gz RQGJGRPVHNLYKE-NSHDSACASA-N 2 2 250.346 0.656 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000428347693 389693696 /nfs/dbraw/zinc/69/36/96/389693696.db2.gz RQGJGRPVHNLYKE-NSHDSACASA-N 2 2 250.346 0.656 20 0 CCADLP Cc1cnn(C)c1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000375626767 389694249 /nfs/dbraw/zinc/69/42/49/389694249.db2.gz YZLMLBCIWGASMK-CHWSQXEVSA-N 2 2 264.373 0.681 20 0 CCADLP Cc1cnn(C)c1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000375626767 389694252 /nfs/dbraw/zinc/69/42/52/389694252.db2.gz YZLMLBCIWGASMK-CHWSQXEVSA-N 2 2 264.373 0.681 20 0 CCADLP CC(C)[C@H](C(=O)N1CC[NH+](C[C@H](C)O)CC1)[NH+](C)C ZINC000428496607 389702112 /nfs/dbraw/zinc/70/21/12/389702112.db2.gz SUFLQKZSTNXFDF-QWHCGFSZSA-N 2 2 271.405 0.098 20 0 CCADLP C[N@H+](CC[NH2+]C[C@@H](O)Cn1cccn1)Cc1ccccc1 ZINC000387497417 389766427 /nfs/dbraw/zinc/76/64/27/389766427.db2.gz XFBUZXYRFPVJES-MRXNPFEDSA-N 2 2 288.395 0.966 20 0 CCADLP C[N@@H+](CC[NH2+]C[C@@H](O)Cn1cccn1)Cc1ccccc1 ZINC000387497417 389766432 /nfs/dbraw/zinc/76/64/32/389766432.db2.gz XFBUZXYRFPVJES-MRXNPFEDSA-N 2 2 288.395 0.966 20 0 CCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CC[NH2+]CC1 ZINC000416934095 389781626 /nfs/dbraw/zinc/78/16/26/389781626.db2.gz CWKYIFYLRKJQIA-UHFFFAOYSA-N 2 2 289.383 0.797 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000417003222 389788179 /nfs/dbraw/zinc/78/81/79/389788179.db2.gz BHCAACWPCKYVIZ-DGCLKSJQSA-N 2 2 291.399 0.945 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)NC(C)(C)C[NH3+] ZINC000417018210 389790141 /nfs/dbraw/zinc/79/01/41/389790141.db2.gz PQQKVIWRAPKMIT-UHFFFAOYSA-N 2 2 265.361 0.684 20 0 CCADLP COCC[NH2+]CCNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000417024011 389790202 /nfs/dbraw/zinc/79/02/02/389790202.db2.gz WRWGCGAIKFTNQN-UHFFFAOYSA-N 2 2 295.387 0.183 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)CC(C)(C)C[NH3+] ZINC000417020818 389790325 /nfs/dbraw/zinc/79/03/25/389790325.db2.gz HWMQJOLEHDXDTR-LBPRGKRZSA-N 2 2 286.420 0.333 20 0 CCADLP CCCC[C@@H](C[NH3+])NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000417040807 389791441 /nfs/dbraw/zinc/79/14/41/389791441.db2.gz VYQORFCDQLCFDS-STQMWFEESA-N 2 2 286.420 0.524 20 0 CCADLP [NH3+]C1(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)CCC1 ZINC000417083012 389795220 /nfs/dbraw/zinc/79/52/20/389795220.db2.gz ZETIAAAEYDYFCO-UHFFFAOYSA-N 2 2 291.399 0.943 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H](C)C[N@@H+]1C ZINC000351985824 389730552 /nfs/dbraw/zinc/73/05/52/389730552.db2.gz BNIMWPARLUUBOE-AGIUHOORSA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H](C)C[N@H+]1C ZINC000351985824 389730553 /nfs/dbraw/zinc/73/05/53/389730553.db2.gz BNIMWPARLUUBOE-AGIUHOORSA-N 2 2 276.384 0.997 20 0 CCADLP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1nnc(C)[nH]1 ZINC000428982276 389731238 /nfs/dbraw/zinc/73/12/38/389731238.db2.gz STISVALRLZQINE-UHFFFAOYSA-N 2 2 294.447 0.963 20 0 CCADLP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1nnc(C)[nH]1 ZINC000428982276 389731240 /nfs/dbraw/zinc/73/12/40/389731240.db2.gz STISVALRLZQINE-UHFFFAOYSA-N 2 2 294.447 0.963 20 0 CCADLP [NH3+]C1(CNC(=O)NCC[NH+]2CCOCC2)CCCCC1 ZINC000416434132 389742688 /nfs/dbraw/zinc/74/26/88/389742688.db2.gz SODRHWLJSMTBCO-UHFFFAOYSA-N 2 2 284.404 0.279 20 0 CCADLP C[C@@H]1CCN(C(=O)NCCCn2cc[nH+]c2)C[C@H]1C[NH3+] ZINC000416450318 389745054 /nfs/dbraw/zinc/74/50/54/389745054.db2.gz XLXQYPRJCHIKOZ-CHWSQXEVSA-N 2 2 279.388 0.900 20 0 CCADLP CCCCNC(=O)NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000430565441 389808229 /nfs/dbraw/zinc/80/82/29/389808229.db2.gz ADFDIKRHGKXRGM-CYBMUJFWSA-N 2 2 272.393 0.575 20 0 CCADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC000430565544 389808451 /nfs/dbraw/zinc/80/84/51/389808451.db2.gz AGDQPJUQUDFUDY-ZDUSSCGKSA-N 2 2 263.345 0.486 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)CC(C)(C)C[NH3+])CC1 ZINC000430592448 389810550 /nfs/dbraw/zinc/81/05/50/389810550.db2.gz HLNRCZWOIPUNGC-UHFFFAOYSA-N 3 2 284.448 0.504 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)CC(C)(C)C[NH3+])CC1 ZINC000430592448 389810552 /nfs/dbraw/zinc/81/05/52/389810552.db2.gz HLNRCZWOIPUNGC-UHFFFAOYSA-N 3 2 284.448 0.504 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000430615302 389812624 /nfs/dbraw/zinc/81/26/24/389812624.db2.gz BDGAALLRLBFXCS-KBPBESRZSA-N 2 2 285.432 0.849 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000430615302 389812628 /nfs/dbraw/zinc/81/26/28/389812628.db2.gz BDGAALLRLBFXCS-KBPBESRZSA-N 2 2 285.432 0.849 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)C1 ZINC000430616138 389812752 /nfs/dbraw/zinc/81/27/52/389812752.db2.gz DYNZFDOZVHHLPV-KKUMJFAQSA-N 2 2 295.427 0.827 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)C1 ZINC000430616138 389812753 /nfs/dbraw/zinc/81/27/53/389812753.db2.gz DYNZFDOZVHHLPV-KKUMJFAQSA-N 2 2 295.427 0.827 20 0 CCADLP COC1(C(=O)NC[C@H](C)Cn2cc[nH+]c2)CC[NH2+]CC1 ZINC000430690342 389818025 /nfs/dbraw/zinc/81/80/25/389818025.db2.gz DAWVSOPDQSLZIX-LBPRGKRZSA-N 2 2 280.372 0.404 20 0 CCADLP C[C@H]([NH3+])[C@H](C)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000417504112 389822346 /nfs/dbraw/zinc/82/23/46/389822346.db2.gz LHJZJWXATZGQLF-QWRGUYRKSA-N 2 2 272.393 0.132 20 0 CCADLP C[C@H]([NH3+])[C@H](C)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000417504112 389822347 /nfs/dbraw/zinc/82/23/47/389822347.db2.gz LHJZJWXATZGQLF-QWRGUYRKSA-N 2 2 272.393 0.132 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000417504098 389822706 /nfs/dbraw/zinc/82/27/06/389822706.db2.gz LEIWVTNKJQPAPN-GFCCVEGCSA-N 2 2 284.404 0.134 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000417504098 389822709 /nfs/dbraw/zinc/82/27/09/389822709.db2.gz LEIWVTNKJQPAPN-GFCCVEGCSA-N 2 2 284.404 0.134 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417517838 389825293 /nfs/dbraw/zinc/82/52/93/389825293.db2.gz REMZQEGRVBVPBY-TZMCWYRMSA-N 2 2 298.431 0.524 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417517838 389825295 /nfs/dbraw/zinc/82/52/95/389825295.db2.gz REMZQEGRVBVPBY-TZMCWYRMSA-N 2 2 298.431 0.524 20 0 CCADLP C[C@@H]1CN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)[C@@H](C)C[NH2+]1 ZINC000417527056 389826840 /nfs/dbraw/zinc/82/68/40/389826840.db2.gz NRWOWWIQGWRELZ-FRRDWIJNSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H]1CN(C(=O)NCC[N@H+]2CCOC[C@H]2C)[C@@H](C)C[NH2+]1 ZINC000417527056 389826843 /nfs/dbraw/zinc/82/68/43/389826843.db2.gz NRWOWWIQGWRELZ-FRRDWIJNSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000417526194 389827314 /nfs/dbraw/zinc/82/73/14/389827314.db2.gz MFUBLAYMHZXLLS-MELADBBJSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC000417526194 389827316 /nfs/dbraw/zinc/82/73/16/389827316.db2.gz MFUBLAYMHZXLLS-MELADBBJSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)[C@H](C[NH3+])C1 ZINC000417551981 389828486 /nfs/dbraw/zinc/82/84/86/389828486.db2.gz PJKGHYBAVIDXQD-FRRDWIJNSA-N 2 2 284.404 0.086 20 0 CCADLP C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)[C@H](C[NH3+])C1 ZINC000417551981 389828488 /nfs/dbraw/zinc/82/84/88/389828488.db2.gz PJKGHYBAVIDXQD-FRRDWIJNSA-N 2 2 284.404 0.086 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000430877936 389830360 /nfs/dbraw/zinc/83/03/60/389830360.db2.gz GMVDOAHYLWULFL-TUVASFSCSA-N 2 2 295.427 0.744 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000430877936 389830364 /nfs/dbraw/zinc/83/03/64/389830364.db2.gz GMVDOAHYLWULFL-TUVASFSCSA-N 2 2 295.427 0.744 20 0 CCADLP O=C(C[C@@H]1CCC[NH2+]1)NCc1cn2c([nH+]1)CCCC2 ZINC000430900552 389833051 /nfs/dbraw/zinc/83/30/51/389833051.db2.gz OJUHRGIHZNUHMB-NSHDSACASA-N 2 2 262.357 0.978 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+]([C@@H]2CCN(c3cc(C)nn3C)C2=O)C1 ZINC000430923359 389835311 /nfs/dbraw/zinc/83/53/11/389835311.db2.gz DDERSNAERMJDOZ-CHWSQXEVSA-N 2 2 291.399 0.375 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+]([C@@H]2CCN(c3cc(C)nn3C)C2=O)C1 ZINC000430923359 389835314 /nfs/dbraw/zinc/83/53/14/389835314.db2.gz DDERSNAERMJDOZ-CHWSQXEVSA-N 2 2 291.399 0.375 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430926330 389835777 /nfs/dbraw/zinc/83/57/77/389835777.db2.gz NZPQCHMQUZHYEO-CYBMUJFWSA-N 2 2 271.405 0.446 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430926330 389835781 /nfs/dbraw/zinc/83/57/81/389835781.db2.gz NZPQCHMQUZHYEO-CYBMUJFWSA-N 2 2 271.405 0.446 20 0 CCADLP C[C@H](C[NH3+])[N@H+](C)CCC(=O)NC(=O)NCc1ccccc1 ZINC000430954906 389840127 /nfs/dbraw/zinc/84/01/27/389840127.db2.gz YBQIRFLXPVBVDV-GFCCVEGCSA-N 2 2 292.383 0.682 20 0 CCADLP C[C@H](C[NH3+])[N@@H+](C)CCC(=O)NC(=O)NCc1ccccc1 ZINC000430954906 389840131 /nfs/dbraw/zinc/84/01/31/389840131.db2.gz YBQIRFLXPVBVDV-GFCCVEGCSA-N 2 2 292.383 0.682 20 0 CCADLP [NH3+]CC1(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CCCC1 ZINC000431001949 389843603 /nfs/dbraw/zinc/84/36/03/389843603.db2.gz LQJSXAYUPXLEKK-UHFFFAOYSA-N 2 2 291.399 0.573 20 0 CCADLP CC(C)(C[NH3+])C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000431006711 389844128 /nfs/dbraw/zinc/84/41/28/389844128.db2.gz RYPKRMIJELFQAS-UHFFFAOYSA-N 2 2 265.361 0.039 20 0 CCADLP COCC[C@@]1(C(=O)NCc2[nH]c[nH+]c2C)CC[NH2+]C1 ZINC000431005459 389844270 /nfs/dbraw/zinc/84/42/70/389844270.db2.gz MRPLGLBWVKBYGL-ZDUSSCGKSA-N 2 2 266.345 0.351 20 0 CCADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)C[C@@H]2CCC[NH2+]2)no1 ZINC000431042744 389847145 /nfs/dbraw/zinc/84/71/45/389847145.db2.gz KSZDFLFQVVJHAK-JTQLQIEISA-N 2 2 295.387 0.625 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000431052673 389848221 /nfs/dbraw/zinc/84/82/21/389848221.db2.gz ZCWXCIIJUITTAJ-CYBMUJFWSA-N 3 2 294.443 0.271 20 0 CCADLP C[C@H](CC[NH3+])NC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000417817376 389852194 /nfs/dbraw/zinc/85/21/94/389852194.db2.gz VMXMXJANNIJVQY-HQJQHLMTSA-N 2 2 257.284 0.818 20 0 CCADLP C[C@H]([NH3+])CN1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000442663963 389854547 /nfs/dbraw/zinc/85/45/47/389854547.db2.gz VFAZKXXAMOATQA-AWEZNQCLSA-N 2 2 282.432 0.354 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)n(C)n1 ZINC000442764754 389861898 /nfs/dbraw/zinc/86/18/98/389861898.db2.gz GNHVKNBQQQPCQT-GHMZBOCLSA-N 2 2 265.361 0.336 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)n(C)n1 ZINC000442764754 389861900 /nfs/dbraw/zinc/86/19/00/389861900.db2.gz GNHVKNBQQQPCQT-GHMZBOCLSA-N 2 2 265.361 0.336 20 0 CCADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CC[NH2+]3)c[nH+]2)CCO1 ZINC000444183610 389895893 /nfs/dbraw/zinc/89/58/93/389895893.db2.gz OFPPMINBRALZRD-DGCLKSJQSA-N 2 2 290.367 0.285 20 0 CCADLP CCCCOCCNC(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435623403 389959056 /nfs/dbraw/zinc/95/90/56/389959056.db2.gz UTZCVIAXJYTYSN-CQSZACIVSA-N 2 2 285.432 0.993 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435623403 389959058 /nfs/dbraw/zinc/95/90/58/389959058.db2.gz UTZCVIAXJYTYSN-CQSZACIVSA-N 2 2 285.432 0.993 20 0 CCADLP C[N@H+](CC(=O)Nc1ccncc1)[C@H]1CCC[NH2+]CC1 ZINC000435615416 389959392 /nfs/dbraw/zinc/95/93/92/389959392.db2.gz IZAQUJDPIVLLJF-ZDUSSCGKSA-N 2 2 262.357 0.516 20 0 CCADLP C[N@@H+](CC(=O)Nc1ccncc1)[C@H]1CCC[NH2+]CC1 ZINC000435615416 389959393 /nfs/dbraw/zinc/95/93/93/389959393.db2.gz IZAQUJDPIVLLJF-ZDUSSCGKSA-N 2 2 262.357 0.516 20 0 CCADLP C[C@H]1C[NH2+]CCN1c1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000420219578 389967323 /nfs/dbraw/zinc/96/73/23/389967323.db2.gz QTVVPRSGDCRKED-QWHCGFSZSA-N 2 2 291.399 0.626 20 0 CCADLP C[C@H]1CN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC[NH2+]1 ZINC000420241702 389971925 /nfs/dbraw/zinc/97/19/25/389971925.db2.gz SZFGCJLAJXYJDN-STQMWFEESA-N 2 2 291.399 0.626 20 0 CCADLP O=C(NCCn1cc[nH+]c1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000433413538 389912775 /nfs/dbraw/zinc/91/27/75/389912775.db2.gz LWUJWMFCRSGRGK-GFCCVEGCSA-N 2 2 288.355 0.434 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@](C)(C[NH3+])C(C)C ZINC000433479911 389915581 /nfs/dbraw/zinc/91/55/81/389915581.db2.gz JPPNCXCEDJIULR-BXKDBHETSA-N 2 2 258.366 0.184 20 0 CCADLP C[C@@H](O)CNc1cc(N2CCC[C@@H](CC[NH3+])C2)nc[nH+]1 ZINC000420246733 389972827 /nfs/dbraw/zinc/97/28/27/389972827.db2.gz SOTYEQSTNOYMNJ-NEPJUHHUSA-N 2 2 279.388 0.835 20 0 CCADLP C[C@@H](O)CNc1cc(N2CCC[C@@H](CC[NH3+])C2)[nH+]cn1 ZINC000420246733 389972829 /nfs/dbraw/zinc/97/28/29/389972829.db2.gz SOTYEQSTNOYMNJ-NEPJUHHUSA-N 2 2 279.388 0.835 20 0 CCADLP CO[C@@]1(C)C[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000446969372 389943425 /nfs/dbraw/zinc/94/34/25/389943425.db2.gz JYSSDCXRKREXBY-WFASDCNBSA-N 2 2 283.416 0.554 20 0 CCADLP COCCn1cc(C[N@H+](CCO)C2CC[NH+](C)CC2)cn1 ZINC000434981792 389950861 /nfs/dbraw/zinc/95/08/61/389950861.db2.gz IKCIOZJCGDYLBQ-UHFFFAOYSA-N 2 2 296.415 0.418 20 0 CCADLP COCCn1cc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cn1 ZINC000434981792 389950862 /nfs/dbraw/zinc/95/08/62/389950862.db2.gz IKCIOZJCGDYLBQ-UHFFFAOYSA-N 2 2 296.415 0.418 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000440620240 390041642 /nfs/dbraw/zinc/04/16/42/390041642.db2.gz WXGYSIVIYILYQQ-JTQLQIEISA-N 2 2 280.294 0.831 20 0 CCADLP CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000420301925 389980322 /nfs/dbraw/zinc/98/03/22/389980322.db2.gz FKFIKJLMZVEHMF-LBPRGKRZSA-N 2 2 297.399 0.402 20 0 CCADLP C[C@@H]1CC[N@H+](CCCN2C(=O)NC(C)(C)C2=O)[C@H](C[NH3+])C1 ZINC000420326441 389984272 /nfs/dbraw/zinc/98/42/72/389984272.db2.gz CHJOSTYQBKRVQF-NEPJUHHUSA-N 2 2 296.415 0.766 20 0 CCADLP C[C@@H]1CC[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)[C@H](C[NH3+])C1 ZINC000420326441 389984275 /nfs/dbraw/zinc/98/42/75/389984275.db2.gz CHJOSTYQBKRVQF-NEPJUHHUSA-N 2 2 296.415 0.766 20 0 CCADLP CSc1cccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000420350627 389988575 /nfs/dbraw/zinc/98/85/75/389988575.db2.gz HKKNEIKWHQYQBE-JQWIXIFHSA-N 2 2 297.424 0.987 20 0 CCADLP CSc1cccc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000420350627 389988576 /nfs/dbraw/zinc/98/85/76/389988576.db2.gz HKKNEIKWHQYQBE-JQWIXIFHSA-N 2 2 297.424 0.987 20 0 CCADLP CC1CCC(N(C(=O)C[N@H+](C)C[C@@H](O)C[NH3+])C2CC2)CC1 ZINC000420351263 389989201 /nfs/dbraw/zinc/98/92/01/389989201.db2.gz JNXKPIONQDMISV-PIMMBPRGSA-N 2 2 297.443 0.808 20 0 CCADLP CC1CCC(N(C(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])C2CC2)CC1 ZINC000420351263 389989202 /nfs/dbraw/zinc/98/92/02/389989202.db2.gz JNXKPIONQDMISV-PIMMBPRGSA-N 2 2 297.443 0.808 20 0 CCADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420351201 389989213 /nfs/dbraw/zinc/98/92/13/389989213.db2.gz JIXOIKHVXLVBHS-RISCZKNCSA-N 2 2 297.374 0.424 20 0 CCADLP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420351201 389989216 /nfs/dbraw/zinc/98/92/16/389989216.db2.gz JIXOIKHVXLVBHS-RISCZKNCSA-N 2 2 297.374 0.424 20 0 CCADLP C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420351816 389989309 /nfs/dbraw/zinc/98/93/09/389989309.db2.gz LBDJCRHYQNWHFM-JOYOIKCWSA-N 2 2 269.320 0.404 20 0 CCADLP C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420351816 389989312 /nfs/dbraw/zinc/98/93/12/389989312.db2.gz LBDJCRHYQNWHFM-JOYOIKCWSA-N 2 2 269.320 0.404 20 0 CCADLP CSc1ccccc1NC(=O)[C@H](C)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420354505 389990233 /nfs/dbraw/zinc/99/02/33/389990233.db2.gz OLQQJKVLNUWZFX-WDEREUQCSA-N 2 2 297.424 0.987 20 0 CCADLP CSc1ccccc1NC(=O)[C@H](C)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420354505 389990235 /nfs/dbraw/zinc/99/02/35/389990235.db2.gz OLQQJKVLNUWZFX-WDEREUQCSA-N 2 2 297.424 0.987 20 0 CCADLP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@H](C)[NH3+])CC1 ZINC000420360717 389991247 /nfs/dbraw/zinc/99/12/47/389991247.db2.gz MBSQRRSBTMTQGN-AWEZNQCLSA-N 3 2 298.475 0.894 20 0 CCADLP CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420361881 389991849 /nfs/dbraw/zinc/99/18/49/389991849.db2.gz YQPNFMPAGUVCHX-VXGBXAGGSA-N 2 2 298.387 0.154 20 0 CCADLP CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420361881 389991851 /nfs/dbraw/zinc/99/18/51/389991851.db2.gz YQPNFMPAGUVCHX-VXGBXAGGSA-N 2 2 298.387 0.154 20 0 CCADLP CC[C@@H](F)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000440789910 390044840 /nfs/dbraw/zinc/04/48/40/390044840.db2.gz CMIHAEQCBPCXKP-OLZOCXBDSA-N 2 2 271.380 0.973 20 0 CCADLP CC[C@@H](F)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000440789910 390044842 /nfs/dbraw/zinc/04/48/42/390044842.db2.gz CMIHAEQCBPCXKP-OLZOCXBDSA-N 2 2 271.380 0.973 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NCC1CC1 ZINC000420380215 389994592 /nfs/dbraw/zinc/99/45/92/389994592.db2.gz RJIOKRCMRZBVAG-AWEZNQCLSA-N 2 2 251.374 0.588 20 0 CCADLP O=C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NCC1CC1 ZINC000420380215 389994594 /nfs/dbraw/zinc/99/45/94/389994594.db2.gz RJIOKRCMRZBVAG-AWEZNQCLSA-N 2 2 251.374 0.588 20 0 CCADLP CCOC(=O)C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420380889 389994722 /nfs/dbraw/zinc/99/47/22/389994722.db2.gz OOUCSQNUTXSUJO-JSGCOSHPSA-N 2 2 270.373 0.768 20 0 CCADLP Cc1nc(C2([NH2+]CCN3CC[NH2+]CC3)CCCC2)no1 ZINC000420382842 389995401 /nfs/dbraw/zinc/99/54/01/389995401.db2.gz YTJBVHBGIIZUAR-UHFFFAOYSA-N 2 2 279.388 0.642 20 0 CCADLP CCOC(=O)[C@H]([NH2+]CCC(=O)N1CC[NH2+]CC1)[C@@H](C)CC ZINC000420391880 389996189 /nfs/dbraw/zinc/99/61/89/389996189.db2.gz BECSEXYIZULZLZ-GXTWGEPZSA-N 2 2 299.415 0.376 20 0 CCADLP Cc1cccc(CNC(=O)C[N@@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000420398495 389996782 /nfs/dbraw/zinc/99/67/82/389996782.db2.gz YWJQNYUPWZIPFO-HNNXBMFYSA-N 2 2 291.395 0.661 20 0 CCADLP Cc1cccc(CNC(=O)C[N@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000420398495 389996784 /nfs/dbraw/zinc/99/67/84/389996784.db2.gz YWJQNYUPWZIPFO-HNNXBMFYSA-N 2 2 291.395 0.661 20 0 CCADLP CC[C@@H](O)CC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000450564093 389997107 /nfs/dbraw/zinc/99/71/07/389997107.db2.gz UQRGDCZOGMWTTH-UKRRQHHQSA-N 2 2 297.443 0.774 20 0 CCADLP CC[C@@H](O)CC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000450564093 389997109 /nfs/dbraw/zinc/99/71/09/389997109.db2.gz UQRGDCZOGMWTTH-UKRRQHHQSA-N 2 2 297.443 0.774 20 0 CCADLP CC(=O)[C@](C)(O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000450505140 389997283 /nfs/dbraw/zinc/99/72/83/389997283.db2.gz XUNRHEIPFVGEQG-MGPQQGTHSA-N 2 2 254.374 0.743 20 0 CCADLP CC(=O)[C@](C)(O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000450505140 389997286 /nfs/dbraw/zinc/99/72/86/389997286.db2.gz XUNRHEIPFVGEQG-MGPQQGTHSA-N 2 2 254.374 0.743 20 0 CCADLP CC(=O)[C@](C)(O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000450505140 389997288 /nfs/dbraw/zinc/99/72/88/389997288.db2.gz XUNRHEIPFVGEQG-MGPQQGTHSA-N 2 2 254.374 0.743 20 0 CCADLP CC(=O)[C@](C)(O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000450505140 389997289 /nfs/dbraw/zinc/99/72/89/389997289.db2.gz XUNRHEIPFVGEQG-MGPQQGTHSA-N 2 2 254.374 0.743 20 0 CCADLP CC(C)N1CC[C@H]([N@H+](C)CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000452115096 390006733 /nfs/dbraw/zinc/00/67/33/390006733.db2.gz KYGMGTRYOUFYMF-HNNXBMFYSA-N 2 2 296.459 0.565 20 0 CCADLP CC(C)N1CC[C@H]([N@@H+](C)CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000452115096 390006734 /nfs/dbraw/zinc/00/67/34/390006734.db2.gz KYGMGTRYOUFYMF-HNNXBMFYSA-N 2 2 296.459 0.565 20 0 CCADLP CC[C@@H](C(=O)N1CC[N@H+](CCO)C[C@H]1C)[NH+](CC)CC ZINC000457111299 390030563 /nfs/dbraw/zinc/03/05/63/390030563.db2.gz FDVMEVRYNFDLOU-KGLIPLIRSA-N 2 2 285.432 0.632 20 0 CCADLP CC[C@@H](C(=O)N1CC[N@@H+](CCO)C[C@H]1C)[NH+](CC)CC ZINC000457111299 390030565 /nfs/dbraw/zinc/03/05/65/390030565.db2.gz FDVMEVRYNFDLOU-KGLIPLIRSA-N 2 2 285.432 0.632 20 0 CCADLP O=C1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCN1 ZINC000420907770 390036931 /nfs/dbraw/zinc/03/69/31/390036931.db2.gz VTHDVBDIQQJLAF-UHFFFAOYSA-N 2 2 289.379 0.451 20 0 CCADLP O=C1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCN1 ZINC000420907770 390036932 /nfs/dbraw/zinc/03/69/32/390036932.db2.gz VTHDVBDIQQJLAF-UHFFFAOYSA-N 2 2 289.379 0.451 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000487458000 390086977 /nfs/dbraw/zinc/08/69/77/390086977.db2.gz ATFMESGJNKQULV-WOPDTQHZSA-N 2 2 262.357 0.512 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000487458000 390086978 /nfs/dbraw/zinc/08/69/78/390086978.db2.gz ATFMESGJNKQULV-WOPDTQHZSA-N 2 2 262.357 0.512 20 0 CCADLP Cc1nc(N(C)C)nc(NC[C@H](C)C[NH+](C)C)[nH+]1 ZINC000489008971 390097442 /nfs/dbraw/zinc/09/74/42/390097442.db2.gz IBFVNUYPRYIKAF-VIFPVBQESA-N 2 2 252.366 0.278 20 0 CCADLP Cc1nc(NC[C@H](C)C[NH+](C)C)nc(N(C)C)[nH+]1 ZINC000489008971 390097443 /nfs/dbraw/zinc/09/74/43/390097443.db2.gz IBFVNUYPRYIKAF-VIFPVBQESA-N 2 2 252.366 0.278 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000458214387 390054262 /nfs/dbraw/zinc/05/42/62/390054262.db2.gz MPUPSHYKRCZWSW-UONOGXRCSA-N 2 2 283.416 0.555 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000458214387 390054263 /nfs/dbraw/zinc/05/42/63/390054263.db2.gz MPUPSHYKRCZWSW-UONOGXRCSA-N 2 2 283.416 0.555 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458214387 390054264 /nfs/dbraw/zinc/05/42/64/390054264.db2.gz MPUPSHYKRCZWSW-UONOGXRCSA-N 2 2 283.416 0.555 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000458214387 390054265 /nfs/dbraw/zinc/05/42/65/390054265.db2.gz MPUPSHYKRCZWSW-UONOGXRCSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@H](CNC(=O)NCCc1cn(C)c[nH+]1)[N@H+](C)C1CC1 ZINC000458297757 390054950 /nfs/dbraw/zinc/05/49/50/390054950.db2.gz SXWRWGSSYGJLHP-LLVKDONJSA-N 2 2 279.388 0.745 20 0 CCADLP C[NH+](C)CC(C)(C)NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000458787310 390063461 /nfs/dbraw/zinc/06/34/61/390063461.db2.gz CAKAUBGMKMBBHT-ZDUSSCGKSA-N 2 2 298.431 0.489 20 0 CCADLP C[NH+](C)CC(C)(C)NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000458787310 390063462 /nfs/dbraw/zinc/06/34/62/390063462.db2.gz CAKAUBGMKMBBHT-ZDUSSCGKSA-N 2 2 298.431 0.489 20 0 CCADLP CC[NH+]1CCN([C@H](C)CNC(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000493486224 390126699 /nfs/dbraw/zinc/12/66/99/390126699.db2.gz MRYOIAJPRQEEGL-MUBLQREKSA-N 2 2 291.399 0.565 20 0 CCADLP Cn1ncc2c1nc[nH+]c2N1CC(C[NH+]2CCOCC2)C1 ZINC000647843419 390188627 /nfs/dbraw/zinc/18/86/27/390188627.db2.gz MXXDKWRFNDRRNN-UHFFFAOYSA-N 2 2 288.355 0.132 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000493971616 390137715 /nfs/dbraw/zinc/13/77/15/390137715.db2.gz YKQVEYXIFNXJQA-GBJTYRQASA-N 2 2 279.428 0.779 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000493971616 390137719 /nfs/dbraw/zinc/13/77/19/390137719.db2.gz YKQVEYXIFNXJQA-GBJTYRQASA-N 2 2 279.428 0.779 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)[C@@H](C[NH3+])C1 ZINC000579091488 390139756 /nfs/dbraw/zinc/13/97/56/390139756.db2.gz VLJQTYOFQMKEOU-VOAKCMCISA-N 2 2 266.389 0.459 20 0 CCADLP CC[C@H](O)CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000644161212 390152672 /nfs/dbraw/zinc/15/26/72/390152672.db2.gz BIHHPVHZSZZXFR-JSGCOSHPSA-N 2 2 298.431 0.225 20 0 CCADLP CC[C@H](O)CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000644161212 390152674 /nfs/dbraw/zinc/15/26/74/390152674.db2.gz BIHHPVHZSZZXFR-JSGCOSHPSA-N 2 2 298.431 0.225 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)c2csc(CC[NH3+])n2)CCO1 ZINC000579358102 390165758 /nfs/dbraw/zinc/16/57/58/390165758.db2.gz IXULJUVNYHGPRD-SNVBAGLBSA-N 2 2 298.412 0.095 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)c2csc(CC[NH3+])n2)CCO1 ZINC000579358102 390165760 /nfs/dbraw/zinc/16/57/60/390165760.db2.gz IXULJUVNYHGPRD-SNVBAGLBSA-N 2 2 298.412 0.095 20 0 CCADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647798674 390174761 /nfs/dbraw/zinc/17/47/61/390174761.db2.gz VKSLMLJAKMCEEQ-CAOSSQGBSA-N 3 2 281.444 0.811 20 0 CCADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647798674 390174765 /nfs/dbraw/zinc/17/47/65/390174765.db2.gz VKSLMLJAKMCEEQ-CAOSSQGBSA-N 3 2 281.444 0.811 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2cnc3ccccc3c2)[C@@H](C[NH3+])C1 ZINC000647874182 390202719 /nfs/dbraw/zinc/20/27/19/390202719.db2.gz FHAMVULDNFZSNM-HNNXBMFYSA-N 2 2 298.390 0.879 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2cnc3ccccc3c2)[C@@H](C[NH3+])C1 ZINC000647874182 390202721 /nfs/dbraw/zinc/20/27/21/390202721.db2.gz FHAMVULDNFZSNM-HNNXBMFYSA-N 2 2 298.390 0.879 20 0 CCADLP O=C(c1ccc(O)cc1)N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647879910 390205195 /nfs/dbraw/zinc/20/51/95/390205195.db2.gz XXGKENHFBWBUTK-ZDUSSCGKSA-N 2 2 289.379 0.760 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[N@H+](C[C@H]1CC[NH2+]C1)C1CC1 ZINC000647885729 390207810 /nfs/dbraw/zinc/20/78/10/390207810.db2.gz KAAUVUUGSZICAI-QWRGUYRKSA-N 2 2 260.403 0.493 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[N@@H+](C[C@H]1CC[NH2+]C1)C1CC1 ZINC000647885729 390207813 /nfs/dbraw/zinc/20/78/13/390207813.db2.gz KAAUVUUGSZICAI-QWRGUYRKSA-N 2 2 260.403 0.493 20 0 CCADLP C[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000647888087 390208006 /nfs/dbraw/zinc/20/80/06/390208006.db2.gz KBKZBIMZPBTJSZ-UPJWGTAASA-N 2 2 274.430 0.884 20 0 CCADLP C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000647888087 390208009 /nfs/dbraw/zinc/20/80/09/390208009.db2.gz KBKZBIMZPBTJSZ-UPJWGTAASA-N 2 2 274.430 0.884 20 0 CCADLP C[NH+]1CCC([NH2+]C2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000647908881 390215056 /nfs/dbraw/zinc/21/50/56/390215056.db2.gz YAOBUVZKRGBHQK-UHFFFAOYSA-N 3 2 269.433 0.906 20 0 CCADLP CC1([NH3+])CC[NH+](CC(=O)NC[C@H]2CCCO2)CC1 ZINC000647924822 390219008 /nfs/dbraw/zinc/21/90/08/390219008.db2.gz NDMLQLCXBOWYTB-LLVKDONJSA-N 2 2 255.362 0.095 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000580189033 390227013 /nfs/dbraw/zinc/22/70/13/390227013.db2.gz FAMNDEICLRSGRF-QJPTWQEYSA-N 2 2 272.393 0.132 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000580189033 390227014 /nfs/dbraw/zinc/22/70/14/390227014.db2.gz FAMNDEICLRSGRF-QJPTWQEYSA-N 2 2 272.393 0.132 20 0 CCADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCO)c2cc1C ZINC000579618431 390192668 /nfs/dbraw/zinc/19/26/68/390192668.db2.gz SZUPROFZDUZWML-GFCCVEGCSA-N 2 2 263.341 0.596 20 0 CCADLP CC[NH2+]CC1CC[NH+](CC(=O)Nc2ccon2)CC1 ZINC000647855269 390194656 /nfs/dbraw/zinc/19/46/56/390194656.db2.gz FMQCBAHCMKUHBJ-UHFFFAOYSA-N 2 2 266.345 0.357 20 0 CCADLP C[C@H]1CCC[N@H+](CCNc2nc[nH+]c3c2OCCN3)C1 ZINC000647856992 390194768 /nfs/dbraw/zinc/19/47/68/390194768.db2.gz ZROSBFIHYPHYJW-NSHDSACASA-N 2 2 277.372 0.537 20 0 CCADLP C[C@H]1CCC[N@@H+](CCNc2nc[nH+]c3c2OCCN3)C1 ZINC000647856992 390194770 /nfs/dbraw/zinc/19/47/70/390194770.db2.gz ZROSBFIHYPHYJW-NSHDSACASA-N 2 2 277.372 0.537 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000647865312 390197415 /nfs/dbraw/zinc/19/74/15/390197415.db2.gz FUXFTHXJZGYNAC-WCQYABFASA-N 3 2 252.362 0.630 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000647865312 390197419 /nfs/dbraw/zinc/19/74/19/390197419.db2.gz FUXFTHXJZGYNAC-WCQYABFASA-N 3 2 252.362 0.630 20 0 CCADLP Cn1cc(C(C)(C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cn1 ZINC000580297984 390235324 /nfs/dbraw/zinc/23/53/24/390235324.db2.gz GAXFDDZZTSISPQ-CYBMUJFWSA-N 2 2 266.389 0.700 20 0 CCADLP Cn1cc(C(C)(C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cn1 ZINC000580297984 390235328 /nfs/dbraw/zinc/23/53/28/390235328.db2.gz GAXFDDZZTSISPQ-CYBMUJFWSA-N 2 2 266.389 0.700 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@]23CCc2ccccc23)[C@H](C[NH3+])C1 ZINC000580324093 390238674 /nfs/dbraw/zinc/23/86/74/390238674.db2.gz YUCYOMKGGZPAGX-HFTRVMKXSA-N 2 2 299.418 0.992 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2C[C@]23CCc2ccccc23)[C@H](C[NH3+])C1 ZINC000580324093 390238676 /nfs/dbraw/zinc/23/86/76/390238676.db2.gz YUCYOMKGGZPAGX-HFTRVMKXSA-N 2 2 299.418 0.992 20 0 CCADLP Cc1cc(C)nc(N2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)n1 ZINC000647988372 390240198 /nfs/dbraw/zinc/24/01/98/390240198.db2.gz AVHQXMBOQRMNMZ-AWEZNQCLSA-N 2 2 275.400 0.825 20 0 CCADLP Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1CCOCC[NH3+] ZINC000647991225 390241045 /nfs/dbraw/zinc/24/10/45/390241045.db2.gz MUOPWRGFYXXKQU-CYBMUJFWSA-N 2 2 282.388 0.386 20 0 CCADLP Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1CCOCC[NH3+] ZINC000647991225 390241047 /nfs/dbraw/zinc/24/10/47/390241047.db2.gz MUOPWRGFYXXKQU-CYBMUJFWSA-N 2 2 282.388 0.386 20 0 CCADLP CC[N@@H+](Cc1cnn(C)c1)C[C@@H](O)C[NH+](C)C(C)C ZINC000647968497 390233949 /nfs/dbraw/zinc/23/39/49/390233949.db2.gz GRBLUDKQDQWBGI-AWEZNQCLSA-N 2 2 268.405 0.943 20 0 CCADLP CC[N@H+](Cc1cnn(C)c1)C[C@@H](O)C[NH+](C)C(C)C ZINC000647968497 390233951 /nfs/dbraw/zinc/23/39/51/390233951.db2.gz GRBLUDKQDQWBGI-AWEZNQCLSA-N 2 2 268.405 0.943 20 0 CCADLP CC[NH+](Cc1cnn(C)c1)C[C@@H](O)C[N@H+](C)C(C)C ZINC000647968497 390233953 /nfs/dbraw/zinc/23/39/53/390233953.db2.gz GRBLUDKQDQWBGI-AWEZNQCLSA-N 2 2 268.405 0.943 20 0 CCADLP CC[NH+](Cc1cnn(C)c1)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000647968497 390233955 /nfs/dbraw/zinc/23/39/55/390233955.db2.gz GRBLUDKQDQWBGI-AWEZNQCLSA-N 2 2 268.405 0.943 20 0 CCADLP COCc1cnc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])s1 ZINC000583565283 390293607 /nfs/dbraw/zinc/29/36/07/390293607.db2.gz YIXHLFJTKZYZGL-JTQLQIEISA-N 2 2 270.402 0.364 20 0 CCADLP COCc1cnc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])s1 ZINC000583565283 390293610 /nfs/dbraw/zinc/29/36/10/390293610.db2.gz YIXHLFJTKZYZGL-JTQLQIEISA-N 2 2 270.402 0.364 20 0 CCADLP CC[NH+]1CCN(CCNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000583568809 390294350 /nfs/dbraw/zinc/29/43/50/390294350.db2.gz YJGKJMLYSOTQDU-CQSZACIVSA-N 2 2 293.415 0.588 20 0 CCADLP COc1ncncc1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000648024015 390251173 /nfs/dbraw/zinc/25/11/73/390251173.db2.gz WMQRUVVSQATLON-UHFFFAOYSA-N 2 2 280.372 0.422 20 0 CCADLP C[C@H](C[NH2+]CC(C)(C)N1CC[NH+](C)CC1)S(C)(=O)=O ZINC000644562421 390254275 /nfs/dbraw/zinc/25/42/75/390254275.db2.gz QLUWEFRMHAZBLH-GFCCVEGCSA-N 2 2 291.461 0.035 20 0 CCADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)Cn1cccn1 ZINC000644569366 390255249 /nfs/dbraw/zinc/25/52/49/390255249.db2.gz MCHKPYYMAGPYKB-ZIAGYGMSSA-N 2 2 266.389 0.708 20 0 CCADLP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CS(=O)(=O)CCO2)CC1 ZINC000542146050 390256951 /nfs/dbraw/zinc/25/69/51/390256951.db2.gz KFPBYGCHVOCJJA-CYBMUJFWSA-N 2 2 290.429 0.262 20 0 CCADLP CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)CC ZINC000582070193 390258094 /nfs/dbraw/zinc/25/80/94/390258094.db2.gz BTZFHRDKEVBVGI-KGLIPLIRSA-N 2 2 285.432 0.632 20 0 CCADLP CCN(CC)C(=O)[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)CC ZINC000582070193 390258099 /nfs/dbraw/zinc/25/80/99/390258099.db2.gz BTZFHRDKEVBVGI-KGLIPLIRSA-N 2 2 285.432 0.632 20 0 CCADLP CCN(CC)C(=O)[C@@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)CC ZINC000582070193 390258101 /nfs/dbraw/zinc/25/81/01/390258101.db2.gz BTZFHRDKEVBVGI-KGLIPLIRSA-N 2 2 285.432 0.632 20 0 CCADLP CCN(CC)C(=O)[C@@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)CC ZINC000582070193 390258105 /nfs/dbraw/zinc/25/81/05/390258105.db2.gz BTZFHRDKEVBVGI-KGLIPLIRSA-N 2 2 285.432 0.632 20 0 CCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)Cn1c[nH+]c2c1CCCC2 ZINC000542717835 390268348 /nfs/dbraw/zinc/26/83/48/390268348.db2.gz GZLQSNOTBMXHDX-GFCCVEGCSA-N 2 2 276.384 0.924 20 0 CCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)Cn1c[nH+]c2c1CCCC2 ZINC000542717835 390268351 /nfs/dbraw/zinc/26/83/51/390268351.db2.gz GZLQSNOTBMXHDX-GFCCVEGCSA-N 2 2 276.384 0.924 20 0 CCADLP Cc1ncsc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000582252674 390275495 /nfs/dbraw/zinc/27/54/95/390275495.db2.gz OGVHAJQCTYCUBQ-NXEZZACHSA-N 2 2 266.370 0.195 20 0 CCADLP Cc1ncsc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000582252674 390275499 /nfs/dbraw/zinc/27/54/99/390275499.db2.gz OGVHAJQCTYCUBQ-NXEZZACHSA-N 2 2 266.370 0.195 20 0 CCADLP CCc1cc(NCC[N@@H+]2CCO[C@@H](C)C2)nc(C)[nH+]1 ZINC000542949278 390276804 /nfs/dbraw/zinc/27/68/04/390276804.db2.gz PNZCKMQSJVFNEG-NSHDSACASA-N 2 2 264.373 0.902 20 0 CCADLP CCc1cc(NCC[N@H+]2CCO[C@@H](C)C2)nc(C)[nH+]1 ZINC000542949278 390276805 /nfs/dbraw/zinc/27/68/05/390276805.db2.gz PNZCKMQSJVFNEG-NSHDSACASA-N 2 2 264.373 0.902 20 0 CCADLP CCSCC[C@@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593910580 390367317 /nfs/dbraw/zinc/36/73/17/390367317.db2.gz XYIDSJJBSLGTFY-MNOVXSKESA-N 2 2 261.435 0.913 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+](CC(C)(C)O)CC1)[NH+]1CC(C)C1 ZINC000583821628 390315996 /nfs/dbraw/zinc/31/59/96/390315996.db2.gz PIMGJZUUVNLWNT-ZDUSSCGKSA-N 2 2 283.416 0.242 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)CC2)cc[nH+]1 ZINC000648157873 390319412 /nfs/dbraw/zinc/31/94/12/390319412.db2.gz MVSDESDJQRPLRQ-UPJWGTAASA-N 2 2 287.367 0.184 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)COC1(C)C[NH2+]C1 ZINC000648164362 390321821 /nfs/dbraw/zinc/32/18/21/390321821.db2.gz LKHNFWZFUUIRAM-UHFFFAOYSA-N 2 2 266.345 0.110 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CCS(=O)(=O)N(C)C)[C@@H](C)C1 ZINC000336808608 285370608 /nfs/dbraw/zinc/37/06/08/285370608.db2.gz CMNACVKMOUGXGP-QWHCGFSZSA-N 2 2 291.461 0.540 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CCS(=O)(=O)N(C)C)[C@@H](C)C1 ZINC000336808608 285370613 /nfs/dbraw/zinc/37/06/13/285370613.db2.gz CMNACVKMOUGXGP-QWHCGFSZSA-N 2 2 291.461 0.540 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CCS(=O)(=O)N(C)C)[C@@H](C)C1 ZINC000336808608 285370616 /nfs/dbraw/zinc/37/06/16/285370616.db2.gz CMNACVKMOUGXGP-QWHCGFSZSA-N 2 2 291.461 0.540 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CCS(=O)(=O)N(C)C)[C@@H](C)C1 ZINC000336808608 285370619 /nfs/dbraw/zinc/37/06/19/285370619.db2.gz CMNACVKMOUGXGP-QWHCGFSZSA-N 2 2 291.461 0.540 20 0 CCADLP c1nnn(Cc2ccccc2)c1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000644833405 390330077 /nfs/dbraw/zinc/33/00/77/390330077.db2.gz JPVQCZKTEYRIOO-GASCZTMLSA-N 2 2 283.379 0.978 20 0 CCADLP c1nnn(Cc2ccccc2)c1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000644833405 390330079 /nfs/dbraw/zinc/33/00/79/390330079.db2.gz JPVQCZKTEYRIOO-GASCZTMLSA-N 2 2 283.379 0.978 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000584003000 390333019 /nfs/dbraw/zinc/33/30/19/390333019.db2.gz RPLYDLXZPXWQMJ-ZDUSSCGKSA-N 2 2 283.416 0.243 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H]2CCCC(=O)N2)n1C ZINC000644903468 390342225 /nfs/dbraw/zinc/34/22/25/390342225.db2.gz VRFJUFLYAXBPLC-JTQLQIEISA-N 2 2 265.361 0.244 20 0 CCADLP CCOC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000497253108 390444908 /nfs/dbraw/zinc/44/49/08/390444908.db2.gz PCNSOARTLSXVIY-CHWSQXEVSA-N 2 2 287.404 0.510 20 0 CCADLP CCOC(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000497253108 390444911 /nfs/dbraw/zinc/44/49/11/390444911.db2.gz PCNSOARTLSXVIY-CHWSQXEVSA-N 2 2 287.404 0.510 20 0 CCADLP CCOC(=O)N[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)CC)C1 ZINC000497253108 390444915 /nfs/dbraw/zinc/44/49/15/390444915.db2.gz PCNSOARTLSXVIY-CHWSQXEVSA-N 2 2 287.404 0.510 20 0 CCADLP CCOC(=O)N[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)CC)C1 ZINC000497253108 390444918 /nfs/dbraw/zinc/44/49/18/390444918.db2.gz PCNSOARTLSXVIY-CHWSQXEVSA-N 2 2 287.404 0.510 20 0 CCADLP Cn1ccnc1[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CC1 ZINC000547928917 390409354 /nfs/dbraw/zinc/40/93/54/390409354.db2.gz FZKRUUSADQBSEA-TZMCWYRMSA-N 2 2 264.373 0.527 20 0 CCADLP Cn1ccnc1[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC000547928917 390409357 /nfs/dbraw/zinc/40/93/57/390409357.db2.gz FZKRUUSADQBSEA-TZMCWYRMSA-N 2 2 264.373 0.527 20 0 CCADLP C[C@H](CNC(=O)N[C@H]1CCn2cc[nH+]c2C1)[N@H+](C)C1CC1 ZINC000548001579 390413379 /nfs/dbraw/zinc/41/33/79/390413379.db2.gz ROZHSLNJTAPNOV-NEPJUHHUSA-N 2 2 291.399 0.980 20 0 CCADLP C[C@H](CNC(=O)N[C@H]1CCn2cc[nH+]c2C1)[N@@H+](C)C1CC1 ZINC000548001579 390413383 /nfs/dbraw/zinc/41/33/83/390413383.db2.gz ROZHSLNJTAPNOV-NEPJUHHUSA-N 2 2 291.399 0.980 20 0 CCADLP COCc1cc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)no1 ZINC000641716410 390419919 /nfs/dbraw/zinc/41/99/19/390419919.db2.gz KGUHIHVWCYRMCX-UHFFFAOYSA-N 2 2 296.371 0.075 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H](C)[N@H+]1C ZINC000554618288 390437855 /nfs/dbraw/zinc/43/78/55/390437855.db2.gz HPMQBIJVMLVNHF-PHIMTYICSA-N 2 2 250.346 0.514 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H](C)[N@@H+]1C ZINC000554618288 390437858 /nfs/dbraw/zinc/43/78/58/390437858.db2.gz HPMQBIJVMLVNHF-PHIMTYICSA-N 2 2 250.346 0.514 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](O)[C@H]1CCCO1 ZINC000527958169 285375154 /nfs/dbraw/zinc/37/51/54/285375154.db2.gz VBADNFSLXRSREN-YXCITZCRSA-N 2 2 254.374 0.599 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](O)[C@H]1CCCO1 ZINC000527958169 285375157 /nfs/dbraw/zinc/37/51/57/285375157.db2.gz VBADNFSLXRSREN-YXCITZCRSA-N 2 2 254.374 0.599 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]C1CCN(c2cnccn2)CC1 ZINC000547425338 390373183 /nfs/dbraw/zinc/37/31/83/390373183.db2.gz BSYBWBDLQKXJRH-UHFFFAOYSA-N 2 2 293.415 0.349 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]C1CCN(c2cnccn2)CC1 ZINC000547425338 390373186 /nfs/dbraw/zinc/37/31/86/390373186.db2.gz BSYBWBDLQKXJRH-UHFFFAOYSA-N 2 2 293.415 0.349 20 0 CCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)CC[N@@H+]1C ZINC000648900760 390440098 /nfs/dbraw/zinc/44/00/98/390440098.db2.gz CNWDTKRCNWFQLQ-LJISPDSOSA-N 2 2 295.427 0.648 20 0 CCADLP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)CC[N@H+]1C ZINC000648900760 390440102 /nfs/dbraw/zinc/44/01/02/390440102.db2.gz CNWDTKRCNWFQLQ-LJISPDSOSA-N 2 2 295.427 0.648 20 0 CCADLP CC1(C)C[NH2+][C@@H]1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000645169896 390380985 /nfs/dbraw/zinc/38/09/85/390380985.db2.gz YXQGYCXKXZXJPK-CYBMUJFWSA-N 2 2 274.368 0.728 20 0 CCADLP C[C@@H]1C[C@H](N(C)C(=O)Cc2c[nH+]cn2C)CC[N@@H+]1C ZINC000547539932 390382425 /nfs/dbraw/zinc/38/24/25/390382425.db2.gz QIMMSBUMQGNVNN-VXGBXAGGSA-N 2 2 264.373 0.904 20 0 CCADLP C[C@@H]1C[C@H](N(C)C(=O)Cc2c[nH+]cn2C)CC[N@H+]1C ZINC000547539932 390382426 /nfs/dbraw/zinc/38/24/26/390382426.db2.gz QIMMSBUMQGNVNN-VXGBXAGGSA-N 2 2 264.373 0.904 20 0 CCADLP C[C@H](O)C[C@H]1COCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000565313084 390503226 /nfs/dbraw/zinc/50/32/26/390503226.db2.gz ZJNIFGPQIMGMEH-JSGCOSHPSA-N 2 2 267.373 0.824 20 0 CCADLP 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Cc1c[nH+]c(C)nc1NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000567062167 390669629 /nfs/dbraw/zinc/66/96/29/390669629.db2.gz UVDYHNFNTYJVSQ-CYBMUJFWSA-N 2 2 291.399 0.515 20 0 CCADLP Cc1c[nH+]c(C)nc1NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000567062167 390669630 /nfs/dbraw/zinc/66/96/30/390669630.db2.gz UVDYHNFNTYJVSQ-CYBMUJFWSA-N 2 2 291.399 0.515 20 0 CCADLP c1cn(CC[N@H+]2CCC[C@H](N3CCOCC3)C2)c[nH+]1 ZINC000567119095 390673008 /nfs/dbraw/zinc/67/30/08/390673008.db2.gz BEVCLCDYQWRADJ-AWEZNQCLSA-N 2 2 264.373 0.680 20 0 CCADLP [NH3+][C@H](C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1cscn1 ZINC000646385931 390675507 /nfs/dbraw/zinc/67/55/07/390675507.db2.gz FTVVSVRCBDOMMN-GVXVVHGQSA-N 2 2 294.424 0.991 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC000567386947 390697124 /nfs/dbraw/zinc/69/71/24/390697124.db2.gz SIJFCVVKGZVQNT-FRRDWIJNSA-N 2 2 283.416 0.742 20 0 CCADLP CC[NH+]1CCN(CCCNC(=O)CC(F)(F)C[NH3+])CC1 ZINC000571771700 390751820 /nfs/dbraw/zinc/75/18/20/390751820.db2.gz MVCDXTTZGNQFRJ-UHFFFAOYSA-N 2 2 292.374 0.114 20 0 CCADLP CCN1CC[NH+](CCCNC(=O)CC(F)(F)C[NH3+])CC1 ZINC000571771700 390751822 /nfs/dbraw/zinc/75/18/22/390751822.db2.gz MVCDXTTZGNQFRJ-UHFFFAOYSA-N 2 2 292.374 0.114 20 0 CCADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC000647035297 390762049 /nfs/dbraw/zinc/76/20/49/390762049.db2.gz WTIRUGLJOUNJPX-CZUORRHYSA-N 2 2 288.395 1.000 20 0 CCADLP C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC000647035297 390762051 /nfs/dbraw/zinc/76/20/51/390762051.db2.gz WTIRUGLJOUNJPX-CZUORRHYSA-N 2 2 288.395 1.000 20 0 CCADLP Cc1cc(NC(=O)NC[C@H]2COCC[NH2+]2)c(C)c[nH+]1 ZINC000528684222 390768632 /nfs/dbraw/zinc/76/86/32/390768632.db2.gz CWEXXKOJYKPENU-NSHDSACASA-N 2 2 264.329 0.230 20 0 CCADLP CC(C)C[C@@H]([NH3+])c1noc(CN2CC[NH2+]CC2=O)n1 ZINC000572119901 390768682 /nfs/dbraw/zinc/76/86/82/390768682.db2.gz BDFSEPNTZCVATE-SECBINFHSA-N 2 2 267.333 0.047 20 0 CCADLP CC1([NH+]2CCOCC2)CC[NH+](CCC2OCCO2)CC1 ZINC000528728201 390771717 /nfs/dbraw/zinc/77/17/17/390771717.db2.gz ZGXXOZPGIVXITA-UHFFFAOYSA-N 2 2 284.400 0.936 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CO1 ZINC000647178038 390783229 /nfs/dbraw/zinc/78/32/29/390783229.db2.gz XWHLVFQQSYPGIZ-HZSPNIEDSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CO1 ZINC000647178038 390783230 /nfs/dbraw/zinc/78/32/30/390783230.db2.gz XWHLVFQQSYPGIZ-HZSPNIEDSA-N 2 2 283.416 0.696 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000528945651 390784726 /nfs/dbraw/zinc/78/47/26/390784726.db2.gz FXDQKHOMJQDBQA-NEPJUHHUSA-N 2 2 250.346 0.743 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COC2CCOCC2)C[N@@H+]1C1CC1 ZINC000578435716 390882713 /nfs/dbraw/zinc/88/27/13/390882713.db2.gz NHOBFJONDFXFHK-UMVBOHGHSA-N 2 2 298.427 0.758 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COC2CCOCC2)C[N@H+]1C1CC1 ZINC000578435716 390882716 /nfs/dbraw/zinc/88/27/16/390882716.db2.gz NHOBFJONDFXFHK-UMVBOHGHSA-N 2 2 298.427 0.758 20 0 CCADLP CC[N@H+](C)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000578016011 390859151 /nfs/dbraw/zinc/85/91/51/390859151.db2.gz HSHNFAOBLKYZRN-LLVKDONJSA-N 2 2 250.346 0.513 20 0 CCADLP C[C@@H]1CN(C(=O)N2CCn3c[nH+]cc3C2)C[C@@]1(C)C[NH3+] ZINC000572977346 390816035 /nfs/dbraw/zinc/81/60/35/390816035.db2.gz KUEFDSXMKDKVSM-BXUZGUMPSA-N 2 2 277.372 0.735 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529352659 390817323 /nfs/dbraw/zinc/81/73/23/390817323.db2.gz CFUHTUUWSBBOTH-NSHDSACASA-N 2 2 277.372 0.846 20 0 CCADLP COC[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccco1 ZINC000574906416 390822574 /nfs/dbraw/zinc/82/25/74/390822574.db2.gz BUKZQKCXYKAIBL-NWDGAFQWSA-N 2 2 296.371 0.251 20 0 CCADLP COC[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccco1 ZINC000574906416 390822578 /nfs/dbraw/zinc/82/25/78/390822578.db2.gz BUKZQKCXYKAIBL-NWDGAFQWSA-N 2 2 296.371 0.251 20 0 CCADLP C([C@@H]1CCC[NH2+]C1)[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000647518140 390829444 /nfs/dbraw/zinc/82/94/44/390829444.db2.gz HSBONHPCZSNIII-HZSPNIEDSA-N 2 2 254.374 0.866 20 0 CCADLP C([C@@H]1CCC[NH2+]C1)[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000647518140 390829445 /nfs/dbraw/zinc/82/94/45/390829445.db2.gz HSBONHPCZSNIII-HZSPNIEDSA-N 2 2 254.374 0.866 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@H]2COCC2(C)C)C[C@@H](C)O1 ZINC000575086302 335063548 /nfs/dbraw/zinc/06/35/48/335063548.db2.gz SCBRBTWJYHWKNE-SYQHCUMBSA-N 2 2 286.416 0.471 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H](CO)Cc1ccco1 ZINC000532648294 390883400 /nfs/dbraw/zinc/88/34/00/390883400.db2.gz HZXDLBQQSVTYQR-BZPMIXESSA-N 2 2 252.358 0.970 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H](CO)Cc1ccco1 ZINC000532648294 390883402 /nfs/dbraw/zinc/88/34/02/390883402.db2.gz HZXDLBQQSVTYQR-BZPMIXESSA-N 2 2 252.358 0.970 20 0 CCADLP CC(C)OC[C@H](O)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000578640260 390896165 /nfs/dbraw/zinc/89/61/65/390896165.db2.gz REPQFIRXKGNKSB-IACUBPJLSA-N 2 2 256.390 0.845 20 0 CCADLP CC(C)OC[C@H](O)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000578640260 390896167 /nfs/dbraw/zinc/89/61/67/390896167.db2.gz REPQFIRXKGNKSB-IACUBPJLSA-N 2 2 256.390 0.845 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](O)C12CCCC2 ZINC000578761553 390900747 /nfs/dbraw/zinc/90/07/47/390900747.db2.gz JIRNEWKBKMGLRT-KGLIPLIRSA-N 2 2 286.416 0.305 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](O)C12CCCC2 ZINC000578761553 390900749 /nfs/dbraw/zinc/90/07/49/390900749.db2.gz JIRNEWKBKMGLRT-KGLIPLIRSA-N 2 2 286.416 0.305 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000578761553 390900751 /nfs/dbraw/zinc/90/07/51/390900751.db2.gz JIRNEWKBKMGLRT-KGLIPLIRSA-N 2 2 286.416 0.305 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](O)C12CCCC2 ZINC000578761553 390900753 /nfs/dbraw/zinc/90/07/53/390900753.db2.gz JIRNEWKBKMGLRT-KGLIPLIRSA-N 2 2 286.416 0.305 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1nnnn1-c1ccccc1 ZINC000578789297 390903032 /nfs/dbraw/zinc/90/30/32/390903032.db2.gz KRJNQJHRNDDNTI-GXTWGEPZSA-N 2 2 286.383 0.745 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1nnnn1-c1ccccc1 ZINC000578789297 390903033 /nfs/dbraw/zinc/90/30/33/390903033.db2.gz KRJNQJHRNDDNTI-GXTWGEPZSA-N 2 2 286.383 0.745 20 0 CCADLP COC(=O)CC[C@H]([NH3+])C(=O)Nc1ccc(C)[nH+]c1C ZINC000342717579 533451138 /nfs/dbraw/zinc/45/11/38/533451138.db2.gz WGFPQODZZBRRSW-JTQLQIEISA-N 2 2 265.313 0.917 20 0 CCADLP COc1cccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1OC ZINC000358157906 533513654 /nfs/dbraw/zinc/51/36/54/533513654.db2.gz HMTOHRMAGBDPAP-HNNXBMFYSA-N 2 2 280.368 0.860 20 0 CCADLP COc1cccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1OC ZINC000358157906 533513659 /nfs/dbraw/zinc/51/36/59/533513659.db2.gz HMTOHRMAGBDPAP-HNNXBMFYSA-N 2 2 280.368 0.860 20 0 CCADLP C[C@@H](CCC[NH3+])NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000423679350 533552851 /nfs/dbraw/zinc/55/28/51/533552851.db2.gz KCQDVIAMVFAIFI-JSGCOSHPSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H](CCC[NH3+])NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000423679350 533552855 /nfs/dbraw/zinc/55/28/55/533552855.db2.gz KCQDVIAMVFAIFI-JSGCOSHPSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000189679587 130008413 /nfs/dbraw/zinc/00/84/13/130008413.db2.gz RZPHHOLWQCUKLJ-LBPRGKRZSA-N 2 2 292.383 0.286 20 0 CCADLP CCN1CCC[N@H+](CCCn2cc[nH+]c2)CC1=O ZINC000190200707 130073227 /nfs/dbraw/zinc/07/32/27/130073227.db2.gz ASERGVKTVWJMKE-UHFFFAOYSA-N 2 2 250.346 0.827 20 0 CCADLP CCN1CCC[N@@H+](CCCn2cc[nH+]c2)CC1=O ZINC000190200707 130073230 /nfs/dbraw/zinc/07/32/30/130073230.db2.gz ASERGVKTVWJMKE-UHFFFAOYSA-N 2 2 250.346 0.827 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC[N@H+](C)CC1 ZINC000190212754 130075333 /nfs/dbraw/zinc/07/53/33/130075333.db2.gz CFYCHFTZNPFKIP-UHFFFAOYSA-N 2 2 292.339 0.193 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CCC[N@@H+](C)CC1 ZINC000190212754 130075334 /nfs/dbraw/zinc/07/53/34/130075334.db2.gz CFYCHFTZNPFKIP-UHFFFAOYSA-N 2 2 292.339 0.193 20 0 CCADLP c1cc2c(nc[nH+]c2N2CCN([C@@H]3CC[NH2+]C3)CC2)[nH]1 ZINC000333134725 285453208 /nfs/dbraw/zinc/45/32/08/285453208.db2.gz BKOJJPKERADFKZ-LLVKDONJSA-N 2 2 272.356 0.442 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000684069712 545608134 /nfs/dbraw/zinc/60/81/34/545608134.db2.gz UEAKVDRQGWLWEK-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC000684069712 545608138 /nfs/dbraw/zinc/60/81/38/545608138.db2.gz UEAKVDRQGWLWEK-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@@H]1CN(c2ccc(CNC(=O)C(C)(C)[NH3+])c[nH+]2)CCO1 ZINC000237526567 131038259 /nfs/dbraw/zinc/03/82/59/131038259.db2.gz MUZPHMHOQMTDTG-LLVKDONJSA-N 2 2 292.383 0.660 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250566429 131126556 /nfs/dbraw/zinc/12/65/56/131126556.db2.gz MTNFSGVNVNIBMZ-NWDGAFQWSA-N 2 2 284.404 0.527 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000250566429 131126558 /nfs/dbraw/zinc/12/65/58/131126558.db2.gz MTNFSGVNVNIBMZ-NWDGAFQWSA-N 2 2 284.404 0.527 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253176576 131140804 /nfs/dbraw/zinc/14/08/04/131140804.db2.gz AEBQHRUHHDFUEK-NWDGAFQWSA-N 2 2 284.404 0.385 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253176576 131140807 /nfs/dbraw/zinc/14/08/07/131140807.db2.gz AEBQHRUHHDFUEK-NWDGAFQWSA-N 2 2 284.404 0.385 20 0 CCADLP C[NH2+][C@@H](C(=O)N1CC[NH+](CC(C)C)CC1)c1cnn(C)c1 ZINC000262388529 131216866 /nfs/dbraw/zinc/21/68/66/131216866.db2.gz NXSQFUBSCNFFFE-CQSZACIVSA-N 2 2 293.415 0.481 20 0 CCADLP Cc1ccn2cc(CNC(=O)C[C@H]3COCC[NH2+]3)[nH+]c2c1 ZINC000262392099 131217572 /nfs/dbraw/zinc/21/75/72/131217572.db2.gz OHWLHCQZEJAUCC-LBPRGKRZSA-N 2 2 288.351 0.637 20 0 CCADLP CN1CC[NH+](Cc2cccc(NC(=O)C[NH3+])c2)CC1 ZINC000262655201 131248342 /nfs/dbraw/zinc/24/83/42/131248342.db2.gz TYDQCXDOZALZGE-UHFFFAOYSA-N 2 2 262.357 0.331 20 0 CCADLP C[C@@H]([NH3+])C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000262684181 131250786 /nfs/dbraw/zinc/25/07/86/131250786.db2.gz XFIJOPAKLQLACV-LLVKDONJSA-N 2 2 263.341 0.805 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)c[nH+]1 ZINC000269223760 132135785 /nfs/dbraw/zinc/13/57/85/132135785.db2.gz BZIHNLCJSAIDPJ-NWDGAFQWSA-N 2 2 262.357 0.891 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@H]2CCCC[NH2+]2)c[nH+]1 ZINC000269225650 132136274 /nfs/dbraw/zinc/13/62/74/132136274.db2.gz DAPLAUJXWFZINA-GFCCVEGCSA-N 2 2 262.357 0.906 20 0 CCADLP CN(C)c1ccc(CNC(=O)C[NH2+]C[C@H]2CCCO2)c[nH+]1 ZINC000269232231 132137943 /nfs/dbraw/zinc/13/79/43/132137943.db2.gz JSQXYZRCJHRCML-CYBMUJFWSA-N 2 2 292.383 0.532 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000333844556 533672443 /nfs/dbraw/zinc/67/24/43/533672443.db2.gz VWGPPHHNGHOHMB-QWHCGFSZSA-N 2 2 296.415 0.148 20 0 CCADLP CNC(=O)CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000044989551 134912872 /nfs/dbraw/zinc/91/28/72/134912872.db2.gz FZKMUIQRBNKEOM-UHFFFAOYSA-N 2 2 262.357 0.776 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+](CC(N)=O)C1CCCC1)C1CC1 ZINC000685562626 545835278 /nfs/dbraw/zinc/83/52/78/545835278.db2.gz ZBUWRGILRYWDSV-ZDUSSCGKSA-N 2 2 269.389 0.171 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+](CC(N)=O)C1CCCC1)C1CC1 ZINC000685562626 545835281 /nfs/dbraw/zinc/83/52/81/545835281.db2.gz ZBUWRGILRYWDSV-ZDUSSCGKSA-N 2 2 269.389 0.171 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+](CC(N)=O)C1CCCC1)C1CC1 ZINC000685562626 545835284 /nfs/dbraw/zinc/83/52/84/545835284.db2.gz ZBUWRGILRYWDSV-ZDUSSCGKSA-N 2 2 269.389 0.171 20 0 CCADLP C[C@@H](NC(=O)N1CCC[N@H+](C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000356555590 144013711 /nfs/dbraw/zinc/01/37/11/144013711.db2.gz WUGVKGNNWBAWLN-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H](NC(=O)N1CCC[N@@H+](C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000356555590 144013712 /nfs/dbraw/zinc/01/37/12/144013712.db2.gz WUGVKGNNWBAWLN-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357074593 144056771 /nfs/dbraw/zinc/05/67/71/144056771.db2.gz IHAWEHGUYSDBAC-STQMWFEESA-N 2 2 251.374 0.396 20 0 CCADLP CN(CC1CC1)C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357074593 144056772 /nfs/dbraw/zinc/05/67/72/144056772.db2.gz IHAWEHGUYSDBAC-STQMWFEESA-N 2 2 251.374 0.396 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357078985 144058058 /nfs/dbraw/zinc/05/80/58/144058058.db2.gz CESHBPAOKQHBOL-RQJABVFESA-N 2 2 281.400 0.211 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357078985 144058059 /nfs/dbraw/zinc/05/80/59/144058059.db2.gz CESHBPAOKQHBOL-RQJABVFESA-N 2 2 281.400 0.211 20 0 CCADLP c1c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nnn1Cc1cccnc1 ZINC000357122673 144062935 /nfs/dbraw/zinc/06/29/35/144062935.db2.gz QWAHFRDDYBCBDB-HUUCEWRRSA-N 2 2 298.394 0.763 20 0 CCADLP c1c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nnn1Cc1cccnc1 ZINC000357122673 144062936 /nfs/dbraw/zinc/06/29/36/144062936.db2.gz QWAHFRDDYBCBDB-HUUCEWRRSA-N 2 2 298.394 0.763 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)[C@@]12C[NH2+]C[C@@H]1CCCC2 ZINC000357243444 144073041 /nfs/dbraw/zinc/07/30/41/144073041.db2.gz ONPKWZBNKATALZ-FZMZJTMJSA-N 2 2 262.357 0.848 20 0 CCADLP C[C@@]1([NH3+])CCCC[C@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000357255584 144074804 /nfs/dbraw/zinc/07/48/04/144074804.db2.gz KOSLEPZYDFQCIQ-GXTWGEPZSA-N 2 2 269.389 0.031 20 0 CCADLP CN(CC1CC1)C(=O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357652292 144108914 /nfs/dbraw/zinc/10/89/14/144108914.db2.gz VEVFKNOCJUWDDY-UHFFFAOYSA-N 2 2 283.416 0.243 20 0 CCADLP CN(CC1CC1)C(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357652292 144108916 /nfs/dbraw/zinc/10/89/16/144108916.db2.gz VEVFKNOCJUWDDY-UHFFFAOYSA-N 2 2 283.416 0.243 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)NCc1c[nH+]cn1C ZINC000358006250 144141758 /nfs/dbraw/zinc/14/17/58/144141758.db2.gz SARRRVALGJQBOH-UHFFFAOYSA-N 2 2 262.317 0.424 20 0 CCADLP COc1ccc(C(=O)NCC[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000358014000 144142274 /nfs/dbraw/zinc/14/22/74/144142274.db2.gz JOAJWIMXLGYEHK-SWLSCSKDSA-N 2 2 291.395 0.965 20 0 CCADLP COc1ccc(C(=O)NCC[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000358014000 144142275 /nfs/dbraw/zinc/14/22/75/144142275.db2.gz JOAJWIMXLGYEHK-SWLSCSKDSA-N 2 2 291.395 0.965 20 0 CCADLP C[C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H](C)[NH+]1C ZINC000358716944 144175471 /nfs/dbraw/zinc/17/54/71/144175471.db2.gz GFAWERVEJANSLT-QWRGUYRKSA-N 2 2 280.372 0.901 20 0 CCADLP Cc1nc(NCCCC[NH+]2CCOCC2)nc(N(C)C)[nH+]1 ZINC000359123809 144195952 /nfs/dbraw/zinc/19/59/52/144195952.db2.gz JXGLTVLRHNVXGH-UHFFFAOYSA-N 2 2 294.403 0.192 20 0 CCADLP CC[C@H](C)[C@@H](C[NH2+]CC(=O)N1CC[NH+](C)CC1)OC ZINC000381168792 397485292 /nfs/dbraw/zinc/48/52/92/397485292.db2.gz OXLYAEMLGANCBU-QWHCGFSZSA-N 2 2 271.405 0.411 20 0 CCADLP C[N@H+](CCNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000368201563 144211493 /nfs/dbraw/zinc/21/14/93/144211493.db2.gz GLFRPTIAXUBGGU-JTQLQIEISA-N 2 2 277.372 0.660 20 0 CCADLP C[N@@H+](CCNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000368201563 144211494 /nfs/dbraw/zinc/21/14/94/144211494.db2.gz GLFRPTIAXUBGGU-JTQLQIEISA-N 2 2 277.372 0.660 20 0 CCADLP C[N@H+](CCNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000368201563 144211496 /nfs/dbraw/zinc/21/14/96/144211496.db2.gz GLFRPTIAXUBGGU-JTQLQIEISA-N 2 2 277.372 0.660 20 0 CCADLP C[N@@H+](CCNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000368201563 144211497 /nfs/dbraw/zinc/21/14/97/144211497.db2.gz GLFRPTIAXUBGGU-JTQLQIEISA-N 2 2 277.372 0.660 20 0 CCADLP Cc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000369274871 144261511 /nfs/dbraw/zinc/26/15/11/144261511.db2.gz STRQOBCYUYJHOS-LBPRGKRZSA-N 2 2 292.383 0.881 20 0 CCADLP Cc1cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)on1 ZINC000369274871 144261512 /nfs/dbraw/zinc/26/15/12/144261512.db2.gz STRQOBCYUYJHOS-LBPRGKRZSA-N 2 2 292.383 0.881 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000543934940 285819794 /nfs/dbraw/zinc/81/97/94/285819794.db2.gz VBXINNRJXKYTSU-CYBMUJFWSA-N 2 2 292.383 0.643 20 0 CCADLP CC(C)[NH+]1CCC([NH2+]C[C@H](C)S(C)(=O)=O)CC1 ZINC000544003009 285820705 /nfs/dbraw/zinc/82/07/05/285820705.db2.gz UDOZSROVZBSAGW-NSHDSACASA-N 2 2 262.419 0.882 20 0 CCADLP CC[N@H+](C[C@H](O)C[NH+](C)CCOC)C[C@H]1CCCO1 ZINC000388823680 397507475 /nfs/dbraw/zinc/50/74/75/397507475.db2.gz WMTCORJXQZJMII-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C[C@H]1CCCO1 ZINC000388823680 397507479 /nfs/dbraw/zinc/50/74/79/397507479.db2.gz WMTCORJXQZJMII-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP CC[NH+](C[C@H](O)C[N@H+](C)CCOC)C[C@H]1CCCO1 ZINC000388823680 397507484 /nfs/dbraw/zinc/50/74/84/397507484.db2.gz WMTCORJXQZJMII-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C[C@H]1CCCO1 ZINC000388823680 397507489 /nfs/dbraw/zinc/50/74/89/397507489.db2.gz WMTCORJXQZJMII-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)c1 ZINC000649412382 397606573 /nfs/dbraw/zinc/60/65/73/397606573.db2.gz FSPLSFXBHYQLSP-ZDUSSCGKSA-N 3 2 276.384 0.822 20 0 CCADLP CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000649417916 397609424 /nfs/dbraw/zinc/60/94/24/397609424.db2.gz NXYJZWKWJCQSLU-UONOGXRCSA-N 2 2 291.399 0.062 20 0 CCADLP CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000649417916 397609427 /nfs/dbraw/zinc/60/94/27/397609427.db2.gz NXYJZWKWJCQSLU-UONOGXRCSA-N 2 2 291.399 0.062 20 0 CCADLP COCC[N@@H+]1CCN(CC[NH+]2CCOCC2)C(C)(C)C1 ZINC000649850116 397674240 /nfs/dbraw/zinc/67/42/40/397674240.db2.gz ZHTRFXFGBQPRMN-UHFFFAOYSA-N 2 2 285.432 0.361 20 0 CCADLP COCC[N@H+]1CCN(CC[NH+]2CCOCC2)C(C)(C)C1 ZINC000649850116 397674244 /nfs/dbraw/zinc/67/42/44/397674244.db2.gz ZHTRFXFGBQPRMN-UHFFFAOYSA-N 2 2 285.432 0.361 20 0 CCADLP COCC[N@H+](C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000651235034 397855150 /nfs/dbraw/zinc/85/51/50/397855150.db2.gz DUYQYSKSPVKGLV-LBPRGKRZSA-N 2 2 268.361 0.529 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000651235034 397855154 /nfs/dbraw/zinc/85/51/54/397855154.db2.gz DUYQYSKSPVKGLV-LBPRGKRZSA-N 2 2 268.361 0.529 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CC(C)(C)O ZINC000548055510 286000931 /nfs/dbraw/zinc/00/09/31/286000931.db2.gz FBHGYUHWVWXOOI-GFCCVEGCSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[N@H+]1CC(C)(C)O ZINC000548055510 286000933 /nfs/dbraw/zinc/00/09/33/286000933.db2.gz FBHGYUHWVWXOOI-GFCCVEGCSA-N 2 2 294.399 0.266 20 0 CCADLP NC(=O)c1c[nH+]ccc1N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548288554 286022791 /nfs/dbraw/zinc/02/27/91/286022791.db2.gz JNSTUYTYZOZOOR-SECBINFHSA-N 2 2 257.297 0.226 20 0 CCADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCc1c[nH+]cn1C ZINC000548460093 286038740 /nfs/dbraw/zinc/03/87/40/286038740.db2.gz QOBRPMIJNZVQKO-RYUDHWBXSA-N 2 2 264.373 0.952 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[NH+]1CCCCCC1 ZINC000548519410 286045393 /nfs/dbraw/zinc/04/53/93/286045393.db2.gz DFARNDRFLVTOBH-UHFFFAOYSA-N 2 2 264.373 0.955 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000548585922 286050564 /nfs/dbraw/zinc/05/05/64/286050564.db2.gz VXKCTCBNJNHTQG-VXGBXAGGSA-N 2 2 264.373 0.952 20 0 CCADLP C[C@@H]1CC[N@H+](CCNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000548909070 286078980 /nfs/dbraw/zinc/07/89/80/286078980.db2.gz BAUDQEDQPCYBHW-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H]1CC[N@@H+](CCNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000548909070 286078982 /nfs/dbraw/zinc/07/89/82/286078982.db2.gz BAUDQEDQPCYBHW-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H](CO)O2)C[N@@H+]1C1CC1 ZINC000550846892 286113266 /nfs/dbraw/zinc/11/32/66/286113266.db2.gz AGPHMOGEXLPVJD-OXHZDVMGSA-N 2 2 254.374 0.741 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@@H](CO)O2)C[N@H+]1C1CC1 ZINC000550846892 286113267 /nfs/dbraw/zinc/11/32/67/286113267.db2.gz AGPHMOGEXLPVJD-OXHZDVMGSA-N 2 2 254.374 0.741 20 0 CCADLP C[C@@H]1CC[N@@H+]([C@H]2COC[C@H]2O)C[C@H]1n1cc[nH+]c1 ZINC000551098213 286115732 /nfs/dbraw/zinc/11/57/32/286115732.db2.gz WBEDAURYNZCZGS-FVCCEPFGSA-N 2 2 251.330 0.526 20 0 CCADLP C[C@@H]1CC[N@H+]([C@H]2COC[C@H]2O)C[C@H]1n1cc[nH+]c1 ZINC000551098213 286115733 /nfs/dbraw/zinc/11/57/33/286115733.db2.gz WBEDAURYNZCZGS-FVCCEPFGSA-N 2 2 251.330 0.526 20 0 CCADLP CN1CCOC[C@H]1C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000551877396 286131758 /nfs/dbraw/zinc/13/17/58/286131758.db2.gz LDTLZYUDCOYOHN-ZDUSSCGKSA-N 2 2 287.323 0.536 20 0 CCADLP C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](C)[NH+]1CCOCC1 ZINC000552118495 286153969 /nfs/dbraw/zinc/15/39/69/286153969.db2.gz JSQVMLVLBCGPIA-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000553190172 286184256 /nfs/dbraw/zinc/18/42/56/286184256.db2.gz DSBVSDFYSGLCDB-GFCCVEGCSA-N 2 2 273.340 0.849 20 0 CCADLP Cc1ccc([C@H](CNC(=O)CC[NH3+])[NH+]2CCOCC2)s1 ZINC000295310928 292251761 /nfs/dbraw/zinc/25/17/61/292251761.db2.gz YJOAFRGJOYXYGP-LBPRGKRZSA-N 2 2 297.424 0.895 20 0 CCADLP C[C@@H]1COCCN1CC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414325220 297126719 /nfs/dbraw/zinc/12/67/19/297126719.db2.gz LULSJHNWPLZHIB-GFCCVEGCSA-N 2 2 281.404 0.296 20 0 CCADLP O=C([C@@H]1C[C@]12CCC[NH2+]C2)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659359276 413443428 /nfs/dbraw/zinc/44/34/28/413443428.db2.gz YDYWTHKRWRJIHK-DZKIICNBSA-N 2 2 293.411 0.309 20 0 CCADLP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@H]1c1[nH]cc[nH+]1 ZINC000424174186 304455488 /nfs/dbraw/zinc/45/54/88/304455488.db2.gz REIOQPJAPZKHHZ-VHSXEESVSA-N 2 2 250.302 0.062 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000126553168 411714956 /nfs/dbraw/zinc/71/49/56/411714956.db2.gz VGCVCQQRGVGWAC-QLFBSQMISA-N 2 2 295.427 0.698 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000070362331 411691943 /nfs/dbraw/zinc/69/19/43/411691943.db2.gz MXYADXJGBHGIBE-QWHCGFSZSA-N 2 2 255.406 0.779 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000070362331 411691947 /nfs/dbraw/zinc/69/19/47/411691947.db2.gz MXYADXJGBHGIBE-QWHCGFSZSA-N 2 2 255.406 0.779 20 0 CCADLP CCO[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000311530767 411750651 /nfs/dbraw/zinc/75/06/51/411750651.db2.gz FLSQXYHEDZSXAQ-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP CCO[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000311530767 411750654 /nfs/dbraw/zinc/75/06/54/411750654.db2.gz FLSQXYHEDZSXAQ-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP CCO[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000311530767 411750658 /nfs/dbraw/zinc/75/06/58/411750658.db2.gz FLSQXYHEDZSXAQ-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP CCO[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000311530767 411750660 /nfs/dbraw/zinc/75/06/60/411750660.db2.gz FLSQXYHEDZSXAQ-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP c1cn(CCNc2nc(N[C@@H]3CCCOC3)cc[nH+]2)c[nH+]1 ZINC000328642172 411759393 /nfs/dbraw/zinc/75/93/93/411759393.db2.gz QXMFEEGZJTWMGV-GFCCVEGCSA-N 2 2 288.355 1.376 20 0 CCADLP CC[C@H]1COC(C)(C)C[N@@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000403824527 411790190 /nfs/dbraw/zinc/79/01/90/411790190.db2.gz OSZCTYGBHIGIHL-UONOGXRCSA-N 2 2 288.432 0.815 20 0 CCADLP CC[C@H]1COC(C)(C)C[N@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000403824527 411790192 /nfs/dbraw/zinc/79/01/92/411790192.db2.gz OSZCTYGBHIGIHL-UONOGXRCSA-N 2 2 288.432 0.815 20 0 CCADLP CC[C@H]1COC(C)(C)C[NH+]1C[C@H](O)C[N@H+](C)CCOC ZINC000403824527 411790199 /nfs/dbraw/zinc/79/01/99/411790199.db2.gz OSZCTYGBHIGIHL-UONOGXRCSA-N 2 2 288.432 0.815 20 0 CCADLP CC[C@H]1COC(C)(C)C[NH+]1C[C@H](O)C[N@@H+](C)CCOC ZINC000403824527 411790202 /nfs/dbraw/zinc/79/02/02/411790202.db2.gz OSZCTYGBHIGIHL-UONOGXRCSA-N 2 2 288.432 0.815 20 0 CCADLP C[C@H]1CCC[N@H+](Cc2nc(N)nc(N(C)C)n2)[C@@H]1CC[NH3+] ZINC000404367434 411795881 /nfs/dbraw/zinc/79/58/81/411795881.db2.gz PXFKPEOSZFNKGW-WDEREUQCSA-N 2 2 293.419 0.299 20 0 CCADLP C[C@H]1CCC[N@@H+](Cc2nc(N)nc(N(C)C)n2)[C@@H]1CC[NH3+] ZINC000404367434 411795887 /nfs/dbraw/zinc/79/58/87/411795887.db2.gz PXFKPEOSZFNKGW-WDEREUQCSA-N 2 2 293.419 0.299 20 0 CCADLP O=C(CC[N@H+]1CCCC(F)(F)C1)N1CC[NH2+]CC1 ZINC000405070093 411797081 /nfs/dbraw/zinc/79/70/81/411797081.db2.gz WBEWLPUMIVMFGN-UHFFFAOYSA-N 2 2 261.316 0.539 20 0 CCADLP O=C(CC[N@@H+]1CCCC(F)(F)C1)N1CC[NH2+]CC1 ZINC000405070093 411797084 /nfs/dbraw/zinc/79/70/84/411797084.db2.gz WBEWLPUMIVMFGN-UHFFFAOYSA-N 2 2 261.316 0.539 20 0 CCADLP CCO[C@@H]1C[N@H+](CC(=O)NC(C)(C)CC)C[C@H]1C[NH3+] ZINC000405511624 411804260 /nfs/dbraw/zinc/80/42/60/411804260.db2.gz FZHCLPOMQPRDBY-VXGBXAGGSA-N 2 2 271.405 0.587 20 0 CCADLP CCO[C@@H]1C[N@@H+](CC(=O)NC(C)(C)CC)C[C@H]1C[NH3+] ZINC000405511624 411804263 /nfs/dbraw/zinc/80/42/63/411804263.db2.gz FZHCLPOMQPRDBY-VXGBXAGGSA-N 2 2 271.405 0.587 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NCCC1CC[NH2+]CC1 ZINC000652146162 411992678 /nfs/dbraw/zinc/99/26/78/411992678.db2.gz KUKJOTNUJASOKD-UHFFFAOYSA-N 2 2 265.361 0.609 20 0 CCADLP CC(C)C[N@H+](C)CCCNC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+] ZINC000652225109 412011465 /nfs/dbraw/zinc/01/14/65/412011465.db2.gz QFWUCSJJAVAPET-AWEZNQCLSA-N 3 2 299.463 0.249 20 0 CCADLP CC(C)C[N@@H+](C)CCCNC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+] ZINC000652225109 412011471 /nfs/dbraw/zinc/01/14/71/412011471.db2.gz QFWUCSJJAVAPET-AWEZNQCLSA-N 3 2 299.463 0.249 20 0 CCADLP CC(C)C[NH+](C)CCCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000652225109 412011475 /nfs/dbraw/zinc/01/14/75/412011475.db2.gz QFWUCSJJAVAPET-AWEZNQCLSA-N 3 2 299.463 0.249 20 0 CCADLP CC(C)C[NH+](C)CCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000652225109 412011480 /nfs/dbraw/zinc/01/14/80/412011480.db2.gz QFWUCSJJAVAPET-AWEZNQCLSA-N 3 2 299.463 0.249 20 0 CCADLP c1c(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)nn2c1CCC2 ZINC000652340726 412031587 /nfs/dbraw/zinc/03/15/87/412031587.db2.gz HFXQAHLFPWIOEZ-OAHLLOKOSA-N 2 2 275.400 0.309 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000652341453 412031629 /nfs/dbraw/zinc/03/16/29/412031629.db2.gz QOUVWSSKMBWACS-LBPRGKRZSA-N 2 2 265.348 0.230 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCCN(CC(F)F)CC1 ZINC000652341453 412031632 /nfs/dbraw/zinc/03/16/32/412031632.db2.gz QOUVWSSKMBWACS-LBPRGKRZSA-N 2 2 265.348 0.230 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCc1cccc(F)c1F ZINC000653090420 412214537 /nfs/dbraw/zinc/21/45/37/412214537.db2.gz OWBVAFZUPMJOHL-LBPRGKRZSA-N 2 2 285.338 0.903 20 0 CCADLP CN(CC[NH+]1CCCCC1)C(=O)Cn1cc[nH+]c1 ZINC000652989626 412185603 /nfs/dbraw/zinc/18/56/03/412185603.db2.gz NZPHJHNCYHSUMF-UHFFFAOYSA-N 2 2 250.346 0.827 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCc1cccc(F)c1F ZINC000653090419 412214784 /nfs/dbraw/zinc/21/47/84/412214784.db2.gz OWBVAFZUPMJOHL-GFCCVEGCSA-N 2 2 285.338 0.903 20 0 CCADLP CC[NH2+]CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653048259 412200008 /nfs/dbraw/zinc/20/00/08/412200008.db2.gz SMZKQRXCVPCUJZ-UHFFFAOYSA-N 2 2 250.346 0.488 20 0 CCADLP COc1ccc(CN(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653058068 412205736 /nfs/dbraw/zinc/20/57/36/412205736.db2.gz CBYYFKNSFKLZQO-AWEZNQCLSA-N 2 2 279.384 0.933 20 0 CCADLP CCNC(=O)c1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653067040 412207236 /nfs/dbraw/zinc/20/72/36/412207236.db2.gz NANNJUCMQZQJMG-CYBMUJFWSA-N 2 2 292.383 0.654 20 0 CCADLP CCOc1cccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000653067099 412207892 /nfs/dbraw/zinc/20/78/92/412207892.db2.gz POGOALSTJXRYCN-CQSZACIVSA-N 2 2 279.384 0.981 20 0 CCADLP C[C@H](COCC(F)(F)F)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653081111 412211660 /nfs/dbraw/zinc/21/16/60/412211660.db2.gz CECVFIVYNPBDLD-BDAKNGLRSA-N 2 2 285.310 0.349 20 0 CCADLP CCN(CC)C(=O)[C@H]1CCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653079878 412211929 /nfs/dbraw/zinc/21/19/29/412211929.db2.gz QXADDCAEDMYAMV-CHWSQXEVSA-N 2 2 298.431 0.125 20 0 CCADLP COCCN(CC(F)F)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653084983 412213056 /nfs/dbraw/zinc/21/30/56/412213056.db2.gz ZOQVIWWBPBWUGD-SECBINFHSA-N 2 2 267.320 0.006 20 0 CCADLP COc1ccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)c(F)c1 ZINC000653095609 412217760 /nfs/dbraw/zinc/21/77/60/412217760.db2.gz OMZKPHXVOWGVCQ-ZDUSSCGKSA-N 2 2 283.347 0.730 20 0 CCADLP CC[NH+]1CCC(N(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653107946 412222555 /nfs/dbraw/zinc/22/25/55/412222555.db2.gz CUQKZPYQYPPNGW-ZDUSSCGKSA-N 3 2 270.421 0.208 20 0 CCADLP CN(C)c1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)nc1 ZINC000653112548 412223628 /nfs/dbraw/zinc/22/36/28/412223628.db2.gz APSGPPYELNBVTP-NSHDSACASA-N 2 2 265.361 0.365 20 0 CCADLP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653115668 412225598 /nfs/dbraw/zinc/22/55/98/412225598.db2.gz WUQUJTNOLWTXTO-NWDGAFQWSA-N 3 2 258.410 0.112 20 0 CCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653115668 412225601 /nfs/dbraw/zinc/22/56/01/412225601.db2.gz WUQUJTNOLWTXTO-NWDGAFQWSA-N 3 2 258.410 0.112 20 0 CCADLP CCCC[NH+]1CCC(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653113581 412226732 /nfs/dbraw/zinc/22/67/32/412226732.db2.gz HMWQOPHIKSNRAT-AWEZNQCLSA-N 3 2 284.448 0.646 20 0 CCADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653120023 412229217 /nfs/dbraw/zinc/22/92/17/412229217.db2.gz CQWOPMKOGQTJMY-UONOGXRCSA-N 3 2 284.448 0.646 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[N@H+](C)CC12CCCCC2 ZINC000653123993 412232278 /nfs/dbraw/zinc/23/22/78/412232278.db2.gz NKSCGNUANOUNDJ-CQSZACIVSA-N 3 2 296.459 0.742 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)CC12CCCCC2 ZINC000653123993 412232282 /nfs/dbraw/zinc/23/22/82/412232282.db2.gz NKSCGNUANOUNDJ-CQSZACIVSA-N 3 2 296.459 0.742 20 0 CCADLP CCc1cnc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)s1 ZINC000653123421 412232659 /nfs/dbraw/zinc/23/26/59/412232659.db2.gz XZNPGNJCGQSAGB-JTQLQIEISA-N 2 2 270.402 0.601 20 0 CCADLP CCc1cnc(CCNC(=O)[C@H]([NH3+])CC[NH+](C)C)s1 ZINC000653123331 412232843 /nfs/dbraw/zinc/23/28/43/412232843.db2.gz VLTCEWCCKNFPBB-LLVKDONJSA-N 2 2 284.429 0.643 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1n[nH]c2cc(F)ccc21 ZINC000653149849 412241542 /nfs/dbraw/zinc/24/15/42/412241542.db2.gz IPTRIDPYYDINDY-SNVBAGLBSA-N 2 2 279.319 0.341 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@H](OCC2CC2)C1 ZINC000653151306 412242858 /nfs/dbraw/zinc/24/28/58/412242858.db2.gz CKWBQKXZJPPVKV-KBPBESRZSA-N 2 2 283.416 0.683 20 0 CCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653151613 412243521 /nfs/dbraw/zinc/24/35/21/412243521.db2.gz LPQLTVRPPVIBAP-OLZOCXBDSA-N 3 2 270.421 0.064 20 0 CCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653151613 412243526 /nfs/dbraw/zinc/24/35/26/412243526.db2.gz LPQLTVRPPVIBAP-OLZOCXBDSA-N 3 2 270.421 0.064 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000653587194 412321510 /nfs/dbraw/zinc/32/15/10/412321510.db2.gz UJOXAOQOPJZZOB-GOEBONIOSA-N 2 2 278.396 0.723 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000653587194 412321514 /nfs/dbraw/zinc/32/15/14/412321514.db2.gz UJOXAOQOPJZZOB-GOEBONIOSA-N 2 2 278.396 0.723 20 0 CCADLP CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000653646078 412329814 /nfs/dbraw/zinc/32/98/14/412329814.db2.gz QYJARRSJMAKABF-GFCCVEGCSA-N 2 2 279.388 0.787 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+]([C@H](C)CN2CCOCC2)CC1 ZINC000653727743 412338818 /nfs/dbraw/zinc/33/88/18/412338818.db2.gz WKEOHMLKHAWYQS-OAHLLOKOSA-N 2 2 299.459 0.532 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+]([C@H]2CCCOC2)CC1 ZINC000653727661 412339358 /nfs/dbraw/zinc/33/93/58/412339358.db2.gz PSGFMMHXVLIPSZ-ZDUSSCGKSA-N 2 2 256.390 0.990 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000653729099 412340549 /nfs/dbraw/zinc/34/05/49/412340549.db2.gz KNBQUMJSVZICJR-ZDUSSCGKSA-N 2 2 256.390 0.990 20 0 CCADLP CCO[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C[C@@H]1C ZINC000653748685 412341582 /nfs/dbraw/zinc/34/15/82/412341582.db2.gz ZAQDPLOBENTOTD-SOUVJXGZSA-N 2 2 288.432 0.672 20 0 CCADLP CCO[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C[C@@H]1C ZINC000653748685 412341583 /nfs/dbraw/zinc/34/15/83/412341583.db2.gz ZAQDPLOBENTOTD-SOUVJXGZSA-N 2 2 288.432 0.672 20 0 CCADLP CCO[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C[C@@H]1C ZINC000653748685 412341587 /nfs/dbraw/zinc/34/15/87/412341587.db2.gz ZAQDPLOBENTOTD-SOUVJXGZSA-N 2 2 288.432 0.672 20 0 CCADLP CCO[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C[C@@H]1C ZINC000653748685 412341591 /nfs/dbraw/zinc/34/15/91/412341591.db2.gz ZAQDPLOBENTOTD-SOUVJXGZSA-N 2 2 288.432 0.672 20 0 CCADLP CCO[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C[C@H]1C ZINC000653748682 412342025 /nfs/dbraw/zinc/34/20/25/412342025.db2.gz ZAQDPLOBENTOTD-QLFBSQMISA-N 2 2 288.432 0.672 20 0 CCADLP CCO[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C[C@H]1C ZINC000653748682 412342028 /nfs/dbraw/zinc/34/20/28/412342028.db2.gz ZAQDPLOBENTOTD-QLFBSQMISA-N 2 2 288.432 0.672 20 0 CCADLP CCO[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C[C@H]1C ZINC000653748682 412342031 /nfs/dbraw/zinc/34/20/31/412342031.db2.gz ZAQDPLOBENTOTD-QLFBSQMISA-N 2 2 288.432 0.672 20 0 CCADLP CCO[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C[C@H]1C ZINC000653748682 412342032 /nfs/dbraw/zinc/34/20/32/412342032.db2.gz ZAQDPLOBENTOTD-QLFBSQMISA-N 2 2 288.432 0.672 20 0 CCADLP C[C@@H](O)C[N@H+](C[C@H](O)C[NH+](C[C@H](C)O)C1CC1)C1CC1 ZINC000653902478 412363476 /nfs/dbraw/zinc/36/34/76/412363476.db2.gz UFFPDESKHJGWNG-JYAVWHMHSA-N 2 2 286.416 0.038 20 0 CCADLP C[C@@H](O)C[N@@H+](C[C@H](O)C[NH+](C[C@H](C)O)C1CC1)C1CC1 ZINC000653902478 412363478 /nfs/dbraw/zinc/36/34/78/412363478.db2.gz UFFPDESKHJGWNG-JYAVWHMHSA-N 2 2 286.416 0.038 20 0 CCADLP C[C@@H](O)C[NH+](C[C@H](O)C[N@H+](C[C@H](C)O)C1CC1)C1CC1 ZINC000653902478 412363479 /nfs/dbraw/zinc/36/34/79/412363479.db2.gz UFFPDESKHJGWNG-JYAVWHMHSA-N 2 2 286.416 0.038 20 0 CCADLP C[C@@H](O)C[NH+](C[C@H](O)C[N@@H+](C[C@H](C)O)C1CC1)C1CC1 ZINC000653902478 412363482 /nfs/dbraw/zinc/36/34/82/412363482.db2.gz UFFPDESKHJGWNG-JYAVWHMHSA-N 2 2 286.416 0.038 20 0 CCADLP CN(C)c1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cn1 ZINC000653346099 412293027 /nfs/dbraw/zinc/29/30/27/412293027.db2.gz IMJLMZWKSSRYNG-NSHDSACASA-N 2 2 265.361 0.365 20 0 CCADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654060111 412370556 /nfs/dbraw/zinc/37/05/56/412370556.db2.gz DWDGKGAUNBJEKQ-MELADBBJSA-N 2 2 294.399 0.887 20 0 CCADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654060111 412370559 /nfs/dbraw/zinc/37/05/59/412370559.db2.gz DWDGKGAUNBJEKQ-MELADBBJSA-N 2 2 294.399 0.887 20 0 CCADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000654928872 412451308 /nfs/dbraw/zinc/45/13/08/412451308.db2.gz SVRBBZOJHXSVSL-FRRDWIJNSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000654928872 412451310 /nfs/dbraw/zinc/45/13/10/412451310.db2.gz SVRBBZOJHXSVSL-FRRDWIJNSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@H](NC(=O)C[NH+]1CC[C@@H](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000654928872 412451312 /nfs/dbraw/zinc/45/13/12/412451312.db2.gz SVRBBZOJHXSVSL-FRRDWIJNSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@H](NC(=O)C[NH+]1CC[C@@H](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000654928872 412451313 /nfs/dbraw/zinc/45/13/13/412451313.db2.gz SVRBBZOJHXSVSL-FRRDWIJNSA-N 2 2 269.389 0.164 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000659436741 413496458 /nfs/dbraw/zinc/49/64/58/413496458.db2.gz QSHDHVBKALGJIP-LBPRGKRZSA-N 2 2 291.399 0.958 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)NCC2([NH3+])CCCC2)CCO1 ZINC000659447898 413505749 /nfs/dbraw/zinc/50/57/49/413505749.db2.gz NECZNNOKXIXWGK-UHFFFAOYSA-N 2 2 298.431 0.668 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)NCC2([NH3+])CCCC2)CCO1 ZINC000659447898 413505761 /nfs/dbraw/zinc/50/57/61/413505761.db2.gz NECZNNOKXIXWGK-UHFFFAOYSA-N 2 2 298.431 0.668 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659495236 413548746 /nfs/dbraw/zinc/54/87/46/413548746.db2.gz MZXACJCRDFSHEA-UHFFFAOYSA-N 2 2 276.340 0.641 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659500469 413550670 /nfs/dbraw/zinc/55/06/70/413550670.db2.gz VZUZQTYJRALCSP-UHFFFAOYSA-N 2 2 253.350 0.782 20 0 CCADLP C[C@@H](NC(=O)NC[C@@H]1CCCC[NH2+]1)c1[nH+]ccn1C ZINC000659508208 413567797 /nfs/dbraw/zinc/56/77/97/413567797.db2.gz ONVXILWZKBDEPK-MNOVXSKESA-N 2 2 265.361 0.922 20 0 CCADLP [NH3+]CCNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000659508075 413568215 /nfs/dbraw/zinc/56/82/15/413568215.db2.gz QVJGYHJZQZPMLB-UHFFFAOYSA-N 2 2 263.345 0.440 20 0 CCADLP COCC[NH2+]CCNC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000659526402 413601635 /nfs/dbraw/zinc/60/16/35/413601635.db2.gz BVNYQVNPBFVTEK-SNVBAGLBSA-N 2 2 269.349 0.016 20 0 CCADLP C[NH2+]CCNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000659514682 413578600 /nfs/dbraw/zinc/57/86/00/413578600.db2.gz MUPQAZUTZXEZSR-UHFFFAOYSA-N 2 2 277.372 0.700 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659513628 413579175 /nfs/dbraw/zinc/57/91/75/413579175.db2.gz XLOUBBJMIMQKAF-CQSZACIVSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H](NC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)c1[nH+]ccn1C ZINC000659540409 413628473 /nfs/dbraw/zinc/62/84/73/413628473.db2.gz SOZWDBWICXSTMX-OUAUKWLOSA-N 2 2 265.361 0.778 20 0 CCADLP C[C@H](NC(=O)N[C@H]1CC[C@@H](C[NH3+])C1)c1[nH+]ccn1C ZINC000659553162 413643458 /nfs/dbraw/zinc/64/34/58/413643458.db2.gz HKMXPVFCAPCPJU-AXFHLTTASA-N 2 2 265.361 0.908 20 0 CCADLP O=C(NCC12CC(C1)C[NH2+]2)N1CCn2c[nH+]cc2C1 ZINC000659613492 413704540 /nfs/dbraw/zinc/70/45/40/413704540.db2.gz IIWYQETVTLYZPB-UHFFFAOYSA-N 2 2 261.329 0.160 20 0 CCADLP C[C@H](NC(=O)N1CC[C@H]([NH3+])[C@@H]1C)c1[nH+]ccn1C ZINC000659628301 413723969 /nfs/dbraw/zinc/72/39/69/413723969.db2.gz OKVSMTPFXBWMTK-GUBZILKMSA-N 2 2 251.334 0.612 20 0 CCADLP C[C@@H](NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1[nH+]ccn1C ZINC000659628183 413726264 /nfs/dbraw/zinc/72/62/64/413726264.db2.gz MMLARJJEGSYWRF-OPRDCNLKSA-N 2 2 269.324 0.562 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[NH+](C3CC3)CC2)C[C@@H](C)O1 ZINC000659857037 413918079 /nfs/dbraw/zinc/91/80/79/413918079.db2.gz JJCVBQSDCJXXHH-ZIAGYGMSSA-N 2 2 267.417 0.876 20 0 CCADLP CN(C)S(=O)(=O)[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000285592831 196336404 /nfs/dbraw/zinc/33/64/04/196336404.db2.gz LPSCROWFTYZUFR-LBPRGKRZSA-N 2 2 286.401 0.239 20 0 CCADLP CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000285592831 196336406 /nfs/dbraw/zinc/33/64/06/196336406.db2.gz LPSCROWFTYZUFR-LBPRGKRZSA-N 2 2 286.401 0.239 20 0 CCADLP CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000285590383 196336488 /nfs/dbraw/zinc/33/64/88/196336488.db2.gz KTLVQPBBJNSCKJ-LLVKDONJSA-N 2 2 286.401 0.481 20 0 CCADLP CN(C)S(=O)(=O)CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000285590383 196336490 /nfs/dbraw/zinc/33/64/90/196336490.db2.gz KTLVQPBBJNSCKJ-LLVKDONJSA-N 2 2 286.401 0.481 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@]2(O)CCCOC2)C1 ZINC000660128909 414137928 /nfs/dbraw/zinc/13/79/28/414137928.db2.gz OCQDZTFUAUHYMW-TZMCWYRMSA-N 2 2 265.357 0.751 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@]2(O)CCCOC2)C1 ZINC000660128909 414137931 /nfs/dbraw/zinc/13/79/31/414137931.db2.gz OCQDZTFUAUHYMW-TZMCWYRMSA-N 2 2 265.357 0.751 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000660282559 414221818 /nfs/dbraw/zinc/22/18/18/414221818.db2.gz BNVQFCNGVMDVLC-ZDUSSCGKSA-N 2 2 284.404 0.102 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000660282559 414221826 /nfs/dbraw/zinc/22/18/26/414221826.db2.gz BNVQFCNGVMDVLC-ZDUSSCGKSA-N 2 2 284.404 0.102 20 0 CCADLP O=C1NCCN1CC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660476495 414347436 /nfs/dbraw/zinc/34/74/36/414347436.db2.gz ZAEBRAQAHWFWQJ-CQSZACIVSA-N 2 2 296.415 0.198 20 0 CCADLP O=C1NCCN1CC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660476495 414347446 /nfs/dbraw/zinc/34/74/46/414347446.db2.gz ZAEBRAQAHWFWQJ-CQSZACIVSA-N 2 2 296.415 0.198 20 0 CCADLP C[C@H](CO)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660477782 414350340 /nfs/dbraw/zinc/35/03/40/414350340.db2.gz JEGMUNIVWYGRIT-KBPBESRZSA-N 2 2 256.390 0.802 20 0 CCADLP C[C@H](CO)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660477782 414350345 /nfs/dbraw/zinc/35/03/45/414350345.db2.gz JEGMUNIVWYGRIT-KBPBESRZSA-N 2 2 256.390 0.802 20 0 CCADLP C([C@H]1COCCO1)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660475617 414351001 /nfs/dbraw/zinc/35/10/01/414351001.db2.gz TXLVNCKHQYDJCX-GJZGRUSLSA-N 2 2 284.400 0.589 20 0 CCADLP C([C@H]1COCCO1)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660475617 414351008 /nfs/dbraw/zinc/35/10/08/414351008.db2.gz TXLVNCKHQYDJCX-GJZGRUSLSA-N 2 2 284.400 0.589 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(N2CN=NC2=O)CC1 ZINC000660451754 414330133 /nfs/dbraw/zinc/33/01/33/414330133.db2.gz GDYVLIBBZLSKNK-CYBMUJFWSA-N 2 2 297.403 0.322 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(N2CN=NC2=O)CC1 ZINC000660451754 414330143 /nfs/dbraw/zinc/33/01/43/414330143.db2.gz GDYVLIBBZLSKNK-CYBMUJFWSA-N 2 2 297.403 0.322 20 0 CCADLP CN1CC(=O)N(CC[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000660661781 414434656 /nfs/dbraw/zinc/43/46/56/414434656.db2.gz GLZOFDVMSAUFAU-HNNXBMFYSA-N 2 2 294.399 0.298 20 0 CCADLP CN1CC(=O)N(CC[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000660661781 414434662 /nfs/dbraw/zinc/43/46/62/414434662.db2.gz GLZOFDVMSAUFAU-HNNXBMFYSA-N 2 2 294.399 0.298 20 0 CCADLP CN1CC(=O)N(CC[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)C1=O ZINC000660661781 414434668 /nfs/dbraw/zinc/43/46/68/414434668.db2.gz GLZOFDVMSAUFAU-HNNXBMFYSA-N 2 2 294.399 0.298 20 0 CCADLP CN1CC(=O)N(CC[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000660661781 414434671 /nfs/dbraw/zinc/43/46/71/414434671.db2.gz GLZOFDVMSAUFAU-HNNXBMFYSA-N 2 2 294.399 0.298 20 0 CCADLP CC(C)C[NH2+]C1(CO)CCN(CC[NH+]2CCOCC2)CC1 ZINC000660694505 414445221 /nfs/dbraw/zinc/44/52/21/414445221.db2.gz CMBRQJQPOURNMQ-UHFFFAOYSA-N 2 2 299.459 0.391 20 0 CCADLP CC(C)C[NH2+]C1(CO)CC[NH+](CCN2CCOCC2)CC1 ZINC000660694505 414445229 /nfs/dbraw/zinc/44/52/29/414445229.db2.gz CMBRQJQPOURNMQ-UHFFFAOYSA-N 2 2 299.459 0.391 20 0 CCADLP C[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000660838775 414500625 /nfs/dbraw/zinc/50/06/25/414500625.db2.gz ZFHGDKIKEXVMEX-KBPBESRZSA-N 2 2 296.415 0.197 20 0 CCADLP C[N@H+]1CCC[C@H](NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000660838775 414500628 /nfs/dbraw/zinc/50/06/28/414500628.db2.gz ZFHGDKIKEXVMEX-KBPBESRZSA-N 2 2 296.415 0.197 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCO[C@@](C)(C2CC2)C1 ZINC000661171304 414574025 /nfs/dbraw/zinc/57/40/25/414574025.db2.gz MGFNAUHOMGQCRT-HUUCEWRRSA-N 2 2 286.416 0.426 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCO[C@@](C)(C2CC2)C1 ZINC000661171304 414574028 /nfs/dbraw/zinc/57/40/28/414574028.db2.gz MGFNAUHOMGQCRT-HUUCEWRRSA-N 2 2 286.416 0.426 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661171304 414574032 /nfs/dbraw/zinc/57/40/32/414574032.db2.gz MGFNAUHOMGQCRT-HUUCEWRRSA-N 2 2 286.416 0.426 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661171304 414574036 /nfs/dbraw/zinc/57/40/36/414574036.db2.gz MGFNAUHOMGQCRT-HUUCEWRRSA-N 2 2 286.416 0.426 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cccs1 ZINC000038031033 174024881 /nfs/dbraw/zinc/02/48/81/174024881.db2.gz GIENHHTZOLTUKL-UHFFFAOYSA-N 2 2 253.371 0.612 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cccs1 ZINC000038031033 174024883 /nfs/dbraw/zinc/02/48/83/174024883.db2.gz GIENHHTZOLTUKL-UHFFFAOYSA-N 2 2 253.371 0.612 20 0 CCADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1coc(S(N)(=O)=O)c1 ZINC000662263391 414702748 /nfs/dbraw/zinc/70/27/48/414702748.db2.gz AMIIYTBMKUJOMU-IUCAKERBSA-N 2 2 273.358 0.096 20 0 CCADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1coc(S(N)(=O)=O)c1 ZINC000662263391 414702749 /nfs/dbraw/zinc/70/27/49/414702749.db2.gz AMIIYTBMKUJOMU-IUCAKERBSA-N 2 2 273.358 0.096 20 0 CCADLP CN(C)c1noc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])n1 ZINC000662274004 414704196 /nfs/dbraw/zinc/70/41/96/414704196.db2.gz RDUBYOCGVNFQLR-SNVBAGLBSA-N 2 2 253.350 0.839 20 0 CCADLP CN(C)c1noc(C[N@H+]2CCCC[C@@H]2CC[NH3+])n1 ZINC000662274004 414704197 /nfs/dbraw/zinc/70/41/97/414704197.db2.gz RDUBYOCGVNFQLR-SNVBAGLBSA-N 2 2 253.350 0.839 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC000662277262 414704570 /nfs/dbraw/zinc/70/45/70/414704570.db2.gz OJEPEWSHVCJSNL-WZRBSPASSA-N 2 2 280.420 0.947 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000662276157 414704681 /nfs/dbraw/zinc/70/46/81/414704681.db2.gz KEBVZLZQCFYGOO-HZSPNIEDSA-N 3 2 253.390 0.439 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000662276157 414704682 /nfs/dbraw/zinc/70/46/82/414704682.db2.gz KEBVZLZQCFYGOO-HZSPNIEDSA-N 3 2 253.390 0.439 20 0 CCADLP Cc1nnsc1C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000662282186 414705534 /nfs/dbraw/zinc/70/55/34/414705534.db2.gz NTDYQNZHUGUHHI-LLVKDONJSA-N 2 2 293.400 0.734 20 0 CCADLP CN(Cc1ccccc1)C(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662285531 414706376 /nfs/dbraw/zinc/70/63/76/414706376.db2.gz CSKRHGGMNLPXFC-UHFFFAOYSA-N 2 2 291.395 0.349 20 0 CCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)NCc1ccccc1F ZINC000662286273 414706481 /nfs/dbraw/zinc/70/64/81/414706481.db2.gz XUAHCKILAFNDCC-UHFFFAOYSA-N 2 2 295.358 0.146 20 0 CCADLP CN(CC1CCCCC1)C(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662285906 414706614 /nfs/dbraw/zinc/70/66/14/414706614.db2.gz ACFUEHKTTYMYRD-UHFFFAOYSA-N 2 2 297.443 0.729 20 0 CCADLP COc1ccccc1CCC[N@H+](CC[NH3+])C[C@H](O)CO ZINC000662287617 414706750 /nfs/dbraw/zinc/70/67/50/414706750.db2.gz FGPIKXUTHPBZJD-AWEZNQCLSA-N 2 2 282.384 0.242 20 0 CCADLP COc1ccccc1CCC[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000662287617 414706751 /nfs/dbraw/zinc/70/67/51/414706751.db2.gz FGPIKXUTHPBZJD-AWEZNQCLSA-N 2 2 282.384 0.242 20 0 CCADLP [NH3+]CCN(Cc1cn2cc(Cl)ccc2[nH+]1)C[C@H](O)CO ZINC000662287666 414706943 /nfs/dbraw/zinc/70/69/43/414706943.db2.gz GIUZSZOKELWAQB-LBPRGKRZSA-N 2 2 298.774 0.102 20 0 CCADLP [NH3+]CC12CC(C1)C[N@@H+]2CCC(=O)NC1CCCC1 ZINC000662303397 414708014 /nfs/dbraw/zinc/70/80/14/414708014.db2.gz CDFCQHAEHGHHQL-UHFFFAOYSA-N 2 2 251.374 0.858 20 0 CCADLP [NH3+]CC12CC(C1)C[N@H+]2CCC(=O)NC1CCCC1 ZINC000662303397 414708015 /nfs/dbraw/zinc/70/80/15/414708015.db2.gz CDFCQHAEHGHHQL-UHFFFAOYSA-N 2 2 251.374 0.858 20 0 CCADLP COCC1([N@H+](C)Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC000662299195 414708122 /nfs/dbraw/zinc/70/81/22/414708122.db2.gz UZZKTWJUZWRXAA-UHFFFAOYSA-N 2 2 254.334 0.874 20 0 CCADLP COCC1([N@@H+](C)Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC000662299195 414708123 /nfs/dbraw/zinc/70/81/23/414708123.db2.gz UZZKTWJUZWRXAA-UHFFFAOYSA-N 2 2 254.334 0.874 20 0 CCADLP CN1CCC[C@H]([N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)C1=O ZINC000662324937 414710049 /nfs/dbraw/zinc/71/00/49/414710049.db2.gz FKEYHEUGZFIZBR-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CN1CCC[C@H]([N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)C1=O ZINC000662324937 414710050 /nfs/dbraw/zinc/71/00/50/414710050.db2.gz FKEYHEUGZFIZBR-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP [NH3+]CCOCC[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662326460 414710492 /nfs/dbraw/zinc/71/04/92/414710492.db2.gz TVWGHJGNMMAPMV-VIFPVBQESA-N 2 2 256.268 0.615 20 0 CCADLP [NH3+]CCOCC[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662326460 414710493 /nfs/dbraw/zinc/71/04/93/414710493.db2.gz TVWGHJGNMMAPMV-VIFPVBQESA-N 2 2 256.268 0.615 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC2(CCCC2=O)CC1 ZINC000661959165 414685406 /nfs/dbraw/zinc/68/54/06/414685406.db2.gz BDRMGFPZUMBSQN-CQSZACIVSA-N 2 2 298.427 0.761 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC2(CCCC2=O)CC1 ZINC000661959165 414685407 /nfs/dbraw/zinc/68/54/07/414685407.db2.gz BDRMGFPZUMBSQN-CQSZACIVSA-N 2 2 298.427 0.761 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000662335296 414710944 /nfs/dbraw/zinc/71/09/44/414710944.db2.gz JTYXTSFVQRQLPG-DLOVCJGASA-N 2 2 266.332 0.701 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000662335296 414710945 /nfs/dbraw/zinc/71/09/45/414710945.db2.gz JTYXTSFVQRQLPG-DLOVCJGASA-N 2 2 266.332 0.701 20 0 CCADLP C[C@@H](NC(=O)N1CC[NH+]2CCC1CC2)c1[nH+]ccn1C ZINC000662096092 414690794 /nfs/dbraw/zinc/69/07/94/414690794.db2.gz JNDNNDJGJCUUSE-LLVKDONJSA-N 2 2 277.372 0.971 20 0 CCADLP O[C@H]1CC[N@@H+](C2CC[NH+](CCO[C@@H]3CC3(F)F)CC2)C1 ZINC000662148428 414693885 /nfs/dbraw/zinc/69/38/85/414693885.db2.gz KEUJPWSEVVPPGP-QWHCGFSZSA-N 2 2 290.354 0.942 20 0 CCADLP O[C@H]1CC[N@H+](C2CC[NH+](CCO[C@@H]3CC3(F)F)CC2)C1 ZINC000662148428 414693886 /nfs/dbraw/zinc/69/38/86/414693886.db2.gz KEUJPWSEVVPPGP-QWHCGFSZSA-N 2 2 290.354 0.942 20 0 CCADLP CN1CCC[C@H]([NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1=O ZINC000662152939 414694632 /nfs/dbraw/zinc/69/46/32/414694632.db2.gz JUXYRHXDAAZGGT-KGLIPLIRSA-N 2 2 281.400 0.138 20 0 CCADLP CN1CCC[C@H]([NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1=O ZINC000662152939 414694633 /nfs/dbraw/zinc/69/46/33/414694633.db2.gz JUXYRHXDAAZGGT-KGLIPLIRSA-N 2 2 281.400 0.138 20 0 CCADLP Cc1cc(NC(=O)C[N@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)no1 ZINC000662248523 414699267 /nfs/dbraw/zinc/69/92/67/414699267.db2.gz FASSMOOCYAFZCQ-NSHDSACASA-N 2 2 294.355 0.374 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)no1 ZINC000662248523 414699268 /nfs/dbraw/zinc/69/92/68/414699268.db2.gz FASSMOOCYAFZCQ-NSHDSACASA-N 2 2 294.355 0.374 20 0 CCADLP CNS(=O)(=O)c1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000662247007 414699466 /nfs/dbraw/zinc/69/94/66/414699466.db2.gz XRLPCLMPEHRHIZ-RISCZKNCSA-N 2 2 297.424 0.764 20 0 CCADLP CNS(=O)(=O)c1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000662247007 414699467 /nfs/dbraw/zinc/69/94/67/414699467.db2.gz XRLPCLMPEHRHIZ-RISCZKNCSA-N 2 2 297.424 0.764 20 0 CCADLP COCCCOC1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662256047 414700633 /nfs/dbraw/zinc/70/06/33/414700633.db2.gz IQZLSGMZURFLBD-AWEZNQCLSA-N 2 2 272.389 0.492 20 0 CCADLP C[C@@H]([NH3+])C(=O)NC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000662741094 414751462 /nfs/dbraw/zinc/75/14/62/414751462.db2.gz CFTKHVJMDSRUDK-UKRRQHHQSA-N 2 2 290.411 0.266 20 0 CCADLP C[C@@H]([NH3+])C(=O)NC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000662741094 414751468 /nfs/dbraw/zinc/75/14/68/414751468.db2.gz CFTKHVJMDSRUDK-UKRRQHHQSA-N 2 2 290.411 0.266 20 0 CCADLP CC(C)[NH2+]CC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000662376417 414712808 /nfs/dbraw/zinc/71/28/08/414712808.db2.gz NPWOBUVMEALUJH-UHFFFAOYSA-N 2 2 292.383 0.532 20 0 CCADLP Nc1ccc(NC(=O)c2cn[nH]c2[C@H]2CC[NH2+]C2)c[nH+]1 ZINC000662412628 414715792 /nfs/dbraw/zinc/71/57/92/414715792.db2.gz REPSXTPENNXWAF-QMMMGPOBSA-N 2 2 272.312 0.716 20 0 CCADLP Cc1cccn2cc(CNC(=O)c3cn(CC[NH3+])nn3)[nH+]c12 ZINC000662453289 414719614 /nfs/dbraw/zinc/71/96/14/414719614.db2.gz XGRKNCPOGJKLKV-UHFFFAOYSA-N 2 2 299.338 0.123 20 0 CCADLP CC(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000662480128 414721907 /nfs/dbraw/zinc/72/19/07/414721907.db2.gz UKBQCJZXDTXNJC-KBPBESRZSA-N 2 2 299.415 0.062 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000662479527 414721983 /nfs/dbraw/zinc/72/19/83/414721983.db2.gz QCQAJZWLIHOCLF-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000662530035 414725997 /nfs/dbraw/zinc/72/59/97/414725997.db2.gz KULDSUYQCVGWAM-BFHYXJOUSA-N 2 2 283.416 0.744 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662619317 414733359 /nfs/dbraw/zinc/73/33/59/414733359.db2.gz KAZOCNXEBIZWMF-RYUDHWBXSA-N 3 2 270.421 0.254 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662619317 414733360 /nfs/dbraw/zinc/73/33/60/414733360.db2.gz KAZOCNXEBIZWMF-RYUDHWBXSA-N 3 2 270.421 0.254 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662629159 414734490 /nfs/dbraw/zinc/73/44/90/414734490.db2.gz CLGQHDTZBNGHQS-TUAOUCFPSA-N 2 2 257.378 0.195 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662629159 414734491 /nfs/dbraw/zinc/73/44/91/414734491.db2.gz CLGQHDTZBNGHQS-TUAOUCFPSA-N 2 2 257.378 0.195 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@H](C)CO1 ZINC000662629027 414734519 /nfs/dbraw/zinc/73/45/19/414734519.db2.gz AFKQKLLPMUIBGN-AAVRWANBSA-N 2 2 283.416 0.729 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@H](C)CO1 ZINC000662629027 414734520 /nfs/dbraw/zinc/73/45/20/414734520.db2.gz AFKQKLLPMUIBGN-AAVRWANBSA-N 2 2 283.416 0.729 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])[C@@H](C)CO1 ZINC000662634306 414735734 /nfs/dbraw/zinc/73/57/34/414735734.db2.gz RBIWRHPCSRYVLI-LOWDOPEQSA-N 2 2 269.389 0.339 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])[C@@H](C)CO1 ZINC000662634306 414735735 /nfs/dbraw/zinc/73/57/35/414735735.db2.gz RBIWRHPCSRYVLI-LOWDOPEQSA-N 2 2 269.389 0.339 20 0 CCADLP [NH3+]C1(CNC(=O)c2ccc(-n3cc[nH+]c3)nn2)CCCC1 ZINC000662651631 414737384 /nfs/dbraw/zinc/73/73/84/414737384.db2.gz BKKJVKODBTZERU-UHFFFAOYSA-N 2 2 286.339 0.664 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC[C@@H](CCF)C1 ZINC000662689328 414741580 /nfs/dbraw/zinc/74/15/80/414741580.db2.gz UMSIDAZRARRQCN-NWDGAFQWSA-N 2 2 259.369 0.864 20 0 CCADLP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000662796425 414802563 /nfs/dbraw/zinc/80/25/63/414802563.db2.gz ZVNMJHIUSUDPAP-UPJWGTAASA-N 2 2 290.367 0.140 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000662857222 414849092 /nfs/dbraw/zinc/84/90/92/414849092.db2.gz ILGFBHZHPBPNJH-OAHLLOKOSA-N 3 2 284.448 0.376 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000662857222 414849097 /nfs/dbraw/zinc/84/90/97/414849097.db2.gz ILGFBHZHPBPNJH-OAHLLOKOSA-N 3 2 284.448 0.376 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2CCCC[NH2+]2)[C@@H](C)CO1 ZINC000662860495 414852183 /nfs/dbraw/zinc/85/21/83/414852183.db2.gz SCCHEDXSVFJZDC-AVGNSLFASA-N 2 2 269.389 0.354 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CCCC[NH2+]2)[C@@H](C)CO1 ZINC000662860495 414852188 /nfs/dbraw/zinc/85/21/88/414852188.db2.gz SCCHEDXSVFJZDC-AVGNSLFASA-N 2 2 269.389 0.354 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@]2(C)CCC[NH2+]2)[C@H](C)CO1 ZINC000662860202 414852449 /nfs/dbraw/zinc/85/24/49/414852449.db2.gz RHTSVERLEQMZAI-BZPMIXESSA-N 2 2 269.389 0.354 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@]2(C)CCC[NH2+]2)[C@H](C)CO1 ZINC000662860202 414852452 /nfs/dbraw/zinc/85/24/52/414852452.db2.gz RHTSVERLEQMZAI-BZPMIXESSA-N 2 2 269.389 0.354 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C1([NH3+])CCCC1 ZINC000662861275 414853087 /nfs/dbraw/zinc/85/30/87/414853087.db2.gz ZHSUZOZLKVQERR-NEPJUHHUSA-N 2 2 269.389 0.483 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C1([NH3+])CCCC1 ZINC000662861275 414853091 /nfs/dbraw/zinc/85/30/91/414853091.db2.gz ZHSUZOZLKVQERR-NEPJUHHUSA-N 2 2 269.389 0.483 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)CC2([NH3+])CC2)[C@@H](C)CO1 ZINC000662860432 414853134 /nfs/dbraw/zinc/85/31/34/414853134.db2.gz RWOIIJQEDXOCJG-QWRGUYRKSA-N 2 2 255.362 0.093 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)CC2([NH3+])CC2)[C@@H](C)CO1 ZINC000662860432 414853138 /nfs/dbraw/zinc/85/31/38/414853138.db2.gz RWOIIJQEDXOCJG-QWRGUYRKSA-N 2 2 255.362 0.093 20 0 CCADLP COC[C@]1(C(=O)N[C@H](C)c2[nH+]ccn2C)CC[NH2+]C1 ZINC000662935603 414906115 /nfs/dbraw/zinc/90/61/15/414906115.db2.gz WNDUPLXJDURLHI-MFKMUULPSA-N 2 2 266.345 0.223 20 0 CCADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000662947001 414909990 /nfs/dbraw/zinc/90/99/90/414909990.db2.gz FSNBPIUEHZCYHQ-GFCCVEGCSA-N 2 2 295.387 0.200 20 0 CCADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000662947001 414909991 /nfs/dbraw/zinc/90/99/91/414909991.db2.gz FSNBPIUEHZCYHQ-GFCCVEGCSA-N 2 2 295.387 0.200 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000662898837 414878053 /nfs/dbraw/zinc/87/80/53/414878053.db2.gz BFEPFIUKJQAHBZ-WDEREUQCSA-N 2 2 266.345 0.459 20 0 CCADLP CN(C(=O)CCCC[NH3+])[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662901194 414879541 /nfs/dbraw/zinc/87/95/41/414879541.db2.gz UGRMKCZDWCHPHP-OAHLLOKOSA-N 3 2 296.459 0.742 20 0 CCADLP CN(C(=O)CCCC[NH3+])[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662901194 414879544 /nfs/dbraw/zinc/87/95/44/414879544.db2.gz UGRMKCZDWCHPHP-OAHLLOKOSA-N 3 2 296.459 0.742 20 0 CCADLP C[C@@H](NC(=O)c1csc(CC[NH3+])n1)c1[nH+]ccn1C ZINC000662934330 414902658 /nfs/dbraw/zinc/90/26/58/414902658.db2.gz NJDYYDUKZVQHJJ-MRVPVSSYSA-N 2 2 279.369 0.869 20 0 CCADLP C[C@H](NC(=O)NCCC[NH+]1CCOCC1)c1[nH+]ccn1C ZINC000663402487 415059137 /nfs/dbraw/zinc/05/91/37/415059137.db2.gz AYTWPKFQHAKGAB-LBPRGKRZSA-N 2 2 295.387 0.503 20 0 CCADLP CN(C)C(=O)c1ccc(C[NH2+]CC23CC(C2)C[NH2+]3)[nH]1 ZINC000663502577 415080244 /nfs/dbraw/zinc/08/02/44/415080244.db2.gz VJIOUYOCOLVRGL-UHFFFAOYSA-N 2 2 262.357 0.558 20 0 CCADLP [NH3+]Cc1cc(=O)[nH]c(CNc2cc[nH+]c(C3CC3)n2)n1 ZINC000663277015 415033814 /nfs/dbraw/zinc/03/38/14/415033814.db2.gz HRWAOUWVTHXJGP-UHFFFAOYSA-N 2 2 272.312 0.920 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC1CCOCC1 ZINC000663748940 415123413 /nfs/dbraw/zinc/12/34/13/415123413.db2.gz WTJCAFSWJKZPFU-UHFFFAOYSA-N 2 2 286.420 0.348 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC1CCOCC1 ZINC000663748940 415123415 /nfs/dbraw/zinc/12/34/15/415123415.db2.gz WTJCAFSWJKZPFU-UHFFFAOYSA-N 2 2 286.420 0.348 20 0 CCADLP Cc1cc(CO)cc(N2CC[N@@H+]3CCOC[C@@H]3C2)[nH+]1 ZINC000663797540 415138078 /nfs/dbraw/zinc/13/80/78/415138078.db2.gz OVICJPZQHLPDOJ-ZDUSSCGKSA-N 2 2 263.341 0.403 20 0 CCADLP Cc1cc(CO)cc(N2CC[N@H+]3CCOC[C@@H]3C2)[nH+]1 ZINC000663797540 415138081 /nfs/dbraw/zinc/13/80/81/415138081.db2.gz OVICJPZQHLPDOJ-ZDUSSCGKSA-N 2 2 263.341 0.403 20 0 CCADLP O=C(NCCn1cc[nH+]c1)NCC[NH+]1CCCCC1 ZINC000043311602 175003840 /nfs/dbraw/zinc/00/38/40/175003840.db2.gz DTMBYPVCFRTBCP-UHFFFAOYSA-N 2 2 265.361 0.668 20 0 CCADLP O=C(Nc1ccc(-n2cc[nH+]c2)nc1)[C@H]1C[NH2+]CCO1 ZINC000043708802 175101517 /nfs/dbraw/zinc/10/15/17/175101517.db2.gz LLRQBPUHBHMGAJ-LLVKDONJSA-N 2 2 273.296 0.194 20 0 CCADLP Cc1[nH+]ccn1-c1ncccc1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000043709375 175102827 /nfs/dbraw/zinc/10/28/27/175102827.db2.gz HRZJYOIRDXUQHH-GFCCVEGCSA-N 2 2 287.323 0.503 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNc1ncnc2nc[nH]c21 ZINC000664248228 415300627 /nfs/dbraw/zinc/30/06/27/415300627.db2.gz XZCRFMJSIDKXNZ-UHFFFAOYSA-N 2 2 277.376 0.600 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNc1ncnc2nc[nH]c21 ZINC000664248228 415300632 /nfs/dbraw/zinc/30/06/32/415300632.db2.gz XZCRFMJSIDKXNZ-UHFFFAOYSA-N 2 2 277.376 0.600 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNc1ncnc2[nH]cnc21 ZINC000664248228 415300638 /nfs/dbraw/zinc/30/06/38/415300638.db2.gz XZCRFMJSIDKXNZ-UHFFFAOYSA-N 2 2 277.376 0.600 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNc1ncnc2[nH]cnc21 ZINC000664248228 415300647 /nfs/dbraw/zinc/30/06/47/415300647.db2.gz XZCRFMJSIDKXNZ-UHFFFAOYSA-N 2 2 277.376 0.600 20 0 CCADLP C[C@@H](CC(N)=O)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665250261 415575181 /nfs/dbraw/zinc/57/51/81/415575181.db2.gz MGERZCPFZNTFPU-IACUBPJLSA-N 2 2 261.369 0.986 20 0 CCADLP CCn1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])nn1 ZINC000665245978 415575957 /nfs/dbraw/zinc/57/59/57/415575957.db2.gz WBSQHQOBPGVCCV-YUSALJHKSA-N 2 2 253.350 0.140 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[N@H+](C)CC1 ZINC000665160875 415553346 /nfs/dbraw/zinc/55/33/46/415553346.db2.gz MSBBMNYAVBLCBF-VXGBXAGGSA-N 2 2 262.357 0.688 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[N@@H+](C)CC1 ZINC000665160875 415553352 /nfs/dbraw/zinc/55/33/52/415553352.db2.gz MSBBMNYAVBLCBF-VXGBXAGGSA-N 2 2 262.357 0.688 20 0 CCADLP COC[C@H](CC[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)OC ZINC000665235153 415571623 /nfs/dbraw/zinc/57/16/23/415571623.db2.gz QKRYRTVGWMYEHI-UPJWGTAASA-N 2 2 260.378 0.395 20 0 CCADLP CO[C@H](C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)[C@H]1CCOC1 ZINC000665234355 415571962 /nfs/dbraw/zinc/57/19/62/415571962.db2.gz BRUQCVFUNKQRGE-GBJTYRQASA-N 2 2 284.400 0.395 20 0 CCADLP CO[C@H](C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)[C@@H]1CCOC1 ZINC000665234356 415572582 /nfs/dbraw/zinc/57/25/82/415572582.db2.gz BRUQCVFUNKQRGE-KBUPBQIOSA-N 2 2 284.400 0.395 20 0 CCADLP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000665287026 415585438 /nfs/dbraw/zinc/58/54/38/415585438.db2.gz ABNKWZHVPRODCI-DZGCQCFKSA-N 3 2 296.459 0.517 20 0 CCADLP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000665287026 415585448 /nfs/dbraw/zinc/58/54/48/415585448.db2.gz ABNKWZHVPRODCI-DZGCQCFKSA-N 3 2 296.459 0.517 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N2CCCCCC2)C1 ZINC000071146073 176041793 /nfs/dbraw/zinc/04/17/93/176041793.db2.gz CYNJTWKZCHNTNM-CYBMUJFWSA-N 2 2 253.390 0.930 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N2CCCCCC2)C1 ZINC000071146073 176041794 /nfs/dbraw/zinc/04/17/94/176041794.db2.gz CYNJTWKZCHNTNM-CYBMUJFWSA-N 2 2 253.390 0.930 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000071145298 176041924 /nfs/dbraw/zinc/04/19/24/176041924.db2.gz DIBQOVQVZNPNKD-LBPRGKRZSA-N 2 2 296.415 0.686 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000071145298 176041926 /nfs/dbraw/zinc/04/19/26/176041926.db2.gz DIBQOVQVZNPNKD-LBPRGKRZSA-N 2 2 296.415 0.686 20 0 CCADLP COCC[NH+]1CCN(Cc2c[nH+]c(C)n2C)CC1 ZINC000072397838 176395847 /nfs/dbraw/zinc/39/58/47/176395847.db2.gz CMEVIMISLXDWIZ-UHFFFAOYSA-N 2 2 252.362 0.493 20 0 CCADLP CC(C)[NH+](CCNc1nc[nH+]c2c1OCCN2)C(C)C ZINC000665688647 416473607 /nfs/dbraw/zinc/47/36/07/416473607.db2.gz GSZGPCIMYMWAEU-UHFFFAOYSA-N 2 2 279.388 0.924 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CC([C@@H]2CCOC2)C1)C1CC1 ZINC000685911334 545867735 /nfs/dbraw/zinc/86/77/35/545867735.db2.gz DRHWVYUJROTIKB-RISCZKNCSA-N 2 2 254.374 0.410 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CC([C@@H]2CCOC2)C1)C1CC1 ZINC000685911334 545867729 /nfs/dbraw/zinc/86/77/29/545867729.db2.gz DRHWVYUJROTIKB-RISCZKNCSA-N 2 2 254.374 0.410 20 0 CCADLP CCn1cncc1C[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000417938137 227239709 /nfs/dbraw/zinc/23/97/09/227239709.db2.gz IHIBDJQBHZQLEB-ZDUSSCGKSA-N 2 2 266.389 0.961 20 0 CCADLP COc1ccccc1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000020041002 544417914 /nfs/dbraw/zinc/41/79/14/544417914.db2.gz PRSDRSHMXFWIIZ-UHFFFAOYSA-N 2 2 277.368 0.559 20 0 CCADLP CCOC(=O)N1CCC([NH2+][C@H]2CC[N@H+](C)C2)CC1 ZINC000042545607 544428242 /nfs/dbraw/zinc/42/82/42/544428242.db2.gz HTBHJFDIRZGBNM-LBPRGKRZSA-N 2 2 255.362 0.901 20 0 CCADLP CCOC(=O)N1CCC([NH2+][C@H]2CC[N@@H+](C)C2)CC1 ZINC000042545607 544428248 /nfs/dbraw/zinc/42/82/48/544428248.db2.gz HTBHJFDIRZGBNM-LBPRGKRZSA-N 2 2 255.362 0.901 20 0 CCADLP Cn1ncc2c1nc[nH+]c2N1CCC[C@H](CC[NH3+])C1 ZINC000070074029 544449281 /nfs/dbraw/zinc/44/92/81/544449281.db2.gz BUBQWWQZHYEHCG-SNVBAGLBSA-N 2 2 260.345 0.929 20 0 CCADLP C[C@H]1CCC[N@H+](CCn2nc3ccccn3c2=O)[C@@H]1C[NH3+] ZINC000070177950 544450309 /nfs/dbraw/zinc/45/03/09/544450309.db2.gz SWHBEXWKIATPAP-QWHCGFSZSA-N 2 2 289.383 0.555 20 0 CCADLP C[C@H]1CCC[N@@H+](CCn2nc3ccccn3c2=O)[C@@H]1C[NH3+] ZINC000070177950 544450314 /nfs/dbraw/zinc/45/03/14/544450314.db2.gz SWHBEXWKIATPAP-QWHCGFSZSA-N 2 2 289.383 0.555 20 0 CCADLP COC1CC[NH+](CCNC(=O)CCCn2cc[nH+]c2)CC1 ZINC000079684973 544476516 /nfs/dbraw/zinc/47/65/16/544476516.db2.gz XKXYECAVLKVJBT-UHFFFAOYSA-N 2 2 294.399 0.890 20 0 CCADLP CCc1nn(C)cc1C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000092392114 544533192 /nfs/dbraw/zinc/53/31/92/544533192.db2.gz HXAIQRQTBZAGNN-CYBMUJFWSA-N 2 2 265.405 0.318 20 0 CCADLP CCc1nn(C)cc1C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000092392114 544533198 /nfs/dbraw/zinc/53/31/98/544533198.db2.gz HXAIQRQTBZAGNN-CYBMUJFWSA-N 2 2 265.405 0.318 20 0 CCADLP C[C@@H]1CCN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)[C@H](C[NH3+])C1 ZINC000333616078 287544239 /nfs/dbraw/zinc/54/42/39/287544239.db2.gz RCHDKWHOUXCBOB-AGIUHOORSA-N 2 2 291.399 0.967 20 0 CCADLP O=C(C[C@H]1CC[NH2+]C1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000089743951 544516360 /nfs/dbraw/zinc/51/63/60/544516360.db2.gz BWOPNMOFRONHJI-OAHLLOKOSA-N 2 2 288.395 0.725 20 0 CCADLP COc1ccc(OCC[N@H+](C)C[C@H]2C[NH2+]CCO2)cc1 ZINC000126639056 544597750 /nfs/dbraw/zinc/59/77/50/544597750.db2.gz YBOYRNIWDPOUOA-OAHLLOKOSA-N 2 2 280.368 0.994 20 0 CCADLP COc1ccc(OCC[N@@H+](C)C[C@H]2C[NH2+]CCO2)cc1 ZINC000126639056 544597757 /nfs/dbraw/zinc/59/77/57/544597757.db2.gz YBOYRNIWDPOUOA-OAHLLOKOSA-N 2 2 280.368 0.994 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000134974121 544632691 /nfs/dbraw/zinc/63/26/91/544632691.db2.gz BLEFGIOZGHTLHH-NWDGAFQWSA-N 2 2 257.378 0.164 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000134974121 544632696 /nfs/dbraw/zinc/63/26/96/544632696.db2.gz BLEFGIOZGHTLHH-NWDGAFQWSA-N 2 2 257.378 0.164 20 0 CCADLP CC[NH+]1CCN(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000152497695 544660258 /nfs/dbraw/zinc/66/02/58/544660258.db2.gz GHYDEUPQSTVIIF-OLZOCXBDSA-N 2 2 284.404 0.053 20 0 CCADLP CC[NH+]1CCN(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000152497695 544660260 /nfs/dbraw/zinc/66/02/60/544660260.db2.gz GHYDEUPQSTVIIF-OLZOCXBDSA-N 2 2 284.404 0.053 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)S(C)(=O)=O)CC[N@@H+]1C ZINC000156610545 544679204 /nfs/dbraw/zinc/67/92/04/544679204.db2.gz SZEWEWILOIOHMJ-GHMZBOCLSA-N 2 2 262.419 0.882 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)S(C)(=O)=O)CC[N@H+]1C ZINC000156610545 544679209 /nfs/dbraw/zinc/67/92/09/544679209.db2.gz SZEWEWILOIOHMJ-GHMZBOCLSA-N 2 2 262.419 0.882 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCSC2)CC1 ZINC000167441800 544726514 /nfs/dbraw/zinc/72/65/14/544726514.db2.gz OWZVCEYBTQRQOR-NSHDSACASA-N 2 2 257.403 0.246 20 0 CCADLP C[C@@H](NC(=O)c1ccc(C[NH3+])o1)[C@H](C)[NH+]1CCOCC1 ZINC000167690284 544728332 /nfs/dbraw/zinc/72/83/32/544728332.db2.gz WJVLZOXGVYKGTO-MNOVXSKESA-N 2 2 281.356 0.577 20 0 CCADLP C[C@H](NC(=O)c1ccc(C[NH3+])o1)[C@H](C)[NH+]1CCOCC1 ZINC000167690193 544728382 /nfs/dbraw/zinc/72/83/82/544728382.db2.gz WJVLZOXGVYKGTO-QWRGUYRKSA-N 2 2 281.356 0.577 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCC(C)(C)C2)CC1 ZINC000168435626 544730078 /nfs/dbraw/zinc/73/00/78/544730078.db2.gz SRRPWEHGACQQLT-LBPRGKRZSA-N 2 2 253.390 0.929 20 0 CCADLP C[N@H+]([C@H]1CCNC1=O)C1CC[NH+](CCn2cccn2)CC1 ZINC000178199439 544745515 /nfs/dbraw/zinc/74/55/15/544745515.db2.gz OVYDBGZIBJCLGV-AWEZNQCLSA-N 2 2 291.399 0.168 20 0 CCADLP C[N@@H+]([C@H]1CCNC1=O)C1CC[NH+](CCn2cccn2)CC1 ZINC000178199439 544745518 /nfs/dbraw/zinc/74/55/18/544745518.db2.gz OVYDBGZIBJCLGV-AWEZNQCLSA-N 2 2 291.399 0.168 20 0 CCADLP C[C@H](CN1CCOCC1)[NH+]1CCC([NH+](C)C)CC1 ZINC000180549600 544754724 /nfs/dbraw/zinc/75/47/24/544754724.db2.gz LRRNUGIBYABFEH-CYBMUJFWSA-N 2 2 255.406 0.733 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000220577998 544816548 /nfs/dbraw/zinc/81/65/48/544816548.db2.gz INQZYRJTIFKESX-LBPRGKRZSA-N 2 2 276.384 0.987 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000220577998 544816552 /nfs/dbraw/zinc/81/65/52/544816552.db2.gz INQZYRJTIFKESX-LBPRGKRZSA-N 2 2 276.384 0.987 20 0 CCADLP COc1cc[nH+]c(CN2CC[NH2+][C@H](C)C2)c1OC ZINC000232197978 544863269 /nfs/dbraw/zinc/86/32/69/544863269.db2.gz OIZGBZPURZTIBY-SNVBAGLBSA-N 2 2 251.330 0.893 20 0 CCADLP [NH3+]CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000237956728 544899778 /nfs/dbraw/zinc/89/97/78/544899778.db2.gz MMNYISIMPHZWLV-KGLIPLIRSA-N 2 2 275.352 0.057 20 0 CCADLP [NH3+]CC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000237956728 544899783 /nfs/dbraw/zinc/89/97/83/544899783.db2.gz MMNYISIMPHZWLV-KGLIPLIRSA-N 2 2 275.352 0.057 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000251628533 544927192 /nfs/dbraw/zinc/92/71/92/544927192.db2.gz FIQJNWZCGXCHOZ-UPJWGTAASA-N 2 2 269.389 0.341 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)NC[C@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000251628533 544927198 /nfs/dbraw/zinc/92/71/98/544927198.db2.gz FIQJNWZCGXCHOZ-UPJWGTAASA-N 2 2 269.389 0.341 20 0 CCADLP COc1ccc(OC)c(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000262119064 544941219 /nfs/dbraw/zinc/94/12/19/544941219.db2.gz LSWKMMHLPQXKHP-WCQYABFASA-N 2 2 266.341 0.374 20 0 CCADLP C[NH+](C)CCN1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000280280013 544959920 /nfs/dbraw/zinc/95/99/20/544959920.db2.gz NZXMCPOYOQXJRR-UHFFFAOYSA-N 2 2 279.388 0.048 20 0 CCADLP C[NH+](C)CCN1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000280280013 544959922 /nfs/dbraw/zinc/95/99/22/544959922.db2.gz NZXMCPOYOQXJRR-UHFFFAOYSA-N 2 2 279.388 0.048 20 0 CCADLP C[NH+](C)C1(C[NH2+]C2CCN(S(C)(=O)=O)CC2)CCC1 ZINC000311346005 545012467 /nfs/dbraw/zinc/01/24/67/545012467.db2.gz SEUQDSDNYGKTSG-UHFFFAOYSA-N 2 2 289.445 0.484 20 0 CCADLP C[C@H](CNC(=O)NC[C@]1(C)CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000333939457 545044742 /nfs/dbraw/zinc/04/47/42/545044742.db2.gz NGGOMVOTCHNBHI-UKRRQHHQSA-N 2 2 298.431 0.396 20 0 CCADLP CN(C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)C1CC1 ZINC000334978719 545047602 /nfs/dbraw/zinc/04/76/02/545047602.db2.gz KWEAGEOCFJSRNO-AWEZNQCLSA-N 2 2 251.374 0.683 20 0 CCADLP CN(C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)C1CC1 ZINC000334978719 545047605 /nfs/dbraw/zinc/04/76/05/545047605.db2.gz KWEAGEOCFJSRNO-AWEZNQCLSA-N 2 2 251.374 0.683 20 0 CCADLP COCC[C@@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000340717561 545054701 /nfs/dbraw/zinc/05/47/01/545054701.db2.gz YXVJWFPWDGGCKV-GFCCVEGCSA-N 2 2 252.362 0.967 20 0 CCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000423779321 533684579 /nfs/dbraw/zinc/68/45/79/533684579.db2.gz FFTKBSKAOKGKKH-SMDDNHRTSA-N 2 2 297.399 0.210 20 0 CCADLP C[NH2+][C@@H](C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000055421400 260220121 /nfs/dbraw/zinc/22/01/21/260220121.db2.gz ZTVOQERUUNKPHH-ZDUSSCGKSA-N 2 2 261.369 0.939 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN2CC[N@H+](C)[C@H](C)[C@H]2C)C[C@@H](C)O1 ZINC000356996780 545078362 /nfs/dbraw/zinc/07/83/62/545078362.db2.gz HXKXFMAOXSNFHQ-QCODTGAPSA-N 2 2 299.459 0.481 20 0 CCADLP O=C(N[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)c1cc2c[nH+]ccc2[nH]1 ZINC000960566685 649856061 /nfs/dbraw/zinc/85/60/61/649856061.db2.gz JNIWJOZJUAALFS-YABSGUDNSA-N 2 2 286.335 0.215 20 0 CCADLP O=C(N[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)c1cc2c[nH+]ccc2[nH]1 ZINC000960566685 649856063 /nfs/dbraw/zinc/85/60/63/649856063.db2.gz JNIWJOZJUAALFS-YABSGUDNSA-N 2 2 286.335 0.215 20 0 CCADLP CC(=O)[C@H](NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C)C(C)C ZINC000420316611 278236489 /nfs/dbraw/zinc/23/64/89/278236489.db2.gz MSGJWJIANPCVMI-KGLIPLIRSA-N 2 2 271.405 0.679 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000356479456 276211106 /nfs/dbraw/zinc/21/11/06/276211106.db2.gz YZTQNXNFQGVQLJ-RYUDHWBXSA-N 2 2 278.356 0.035 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000356479456 276211108 /nfs/dbraw/zinc/21/11/08/276211108.db2.gz YZTQNXNFQGVQLJ-RYUDHWBXSA-N 2 2 278.356 0.035 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccno3)C2)CC1 ZINC000365768527 276387760 /nfs/dbraw/zinc/38/77/60/276387760.db2.gz HGCBJQIUENRGFB-ZDUSSCGKSA-N 2 2 264.373 0.886 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccno3)C2)CC1 ZINC000365768527 276387761 /nfs/dbraw/zinc/38/77/61/276387761.db2.gz HGCBJQIUENRGFB-ZDUSSCGKSA-N 2 2 264.373 0.886 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000163990133 276388297 /nfs/dbraw/zinc/38/82/97/276388297.db2.gz RNVXTLIPUDZPCM-NEPJUHHUSA-N 2 2 274.430 0.884 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000163990133 276388299 /nfs/dbraw/zinc/38/82/99/276388299.db2.gz RNVXTLIPUDZPCM-NEPJUHHUSA-N 2 2 274.430 0.884 20 0 CCADLP CC[N@@H+]1CC[C@@H]2OCCN(CC[NH+]3CCO[C@@H](C)C3)[C@H]2C1 ZINC000339389783 276397154 /nfs/dbraw/zinc/39/71/54/276397154.db2.gz ASASBGYPJRHLKC-JYJNAYRXSA-N 2 2 297.443 0.502 20 0 CCADLP CC[N@H+]1CC[C@@H]2OCCN(CC[NH+]3CCO[C@@H](C)C3)[C@H]2C1 ZINC000339389783 276397156 /nfs/dbraw/zinc/39/71/56/276397156.db2.gz ASASBGYPJRHLKC-JYJNAYRXSA-N 2 2 297.443 0.502 20 0 CCADLP CC[NH+]1CC[C@@H]2OCCN(CC[N@@H+]3CCO[C@@H](C)C3)[C@H]2C1 ZINC000339389783 276397157 /nfs/dbraw/zinc/39/71/57/276397157.db2.gz ASASBGYPJRHLKC-JYJNAYRXSA-N 2 2 297.443 0.502 20 0 CCADLP CC[NH+]1CC[C@@H]2OCCN(CC[N@H+]3CCO[C@@H](C)C3)[C@H]2C1 ZINC000339389783 276397159 /nfs/dbraw/zinc/39/71/59/276397159.db2.gz ASASBGYPJRHLKC-JYJNAYRXSA-N 2 2 297.443 0.502 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000493142578 276716271 /nfs/dbraw/zinc/71/62/71/276716271.db2.gz XDQTZMMNAIPIDP-QMAVJUDZSA-N 2 2 277.372 0.018 20 0 CCADLP COC(=O)[C@@H](C)C[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000310849153 277074656 /nfs/dbraw/zinc/07/46/56/277074656.db2.gz IUDUUOQUQRLRJB-JQWIXIFHSA-N 2 2 258.362 0.182 20 0 CCADLP COC(=O)[C@@H](C)C[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000310849153 277074657 /nfs/dbraw/zinc/07/46/57/277074657.db2.gz IUDUUOQUQRLRJB-JQWIXIFHSA-N 2 2 258.362 0.182 20 0 CCADLP COC(=O)[C@@H](C)C[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310849153 277074658 /nfs/dbraw/zinc/07/46/58/277074658.db2.gz IUDUUOQUQRLRJB-JQWIXIFHSA-N 2 2 258.362 0.182 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000336842509 277045435 /nfs/dbraw/zinc/04/54/35/277045435.db2.gz SPSRWMRECNJOKE-HUUCEWRRSA-N 2 2 294.443 0.367 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000336842509 277045436 /nfs/dbraw/zinc/04/54/36/277045436.db2.gz SPSRWMRECNJOKE-HUUCEWRRSA-N 2 2 294.443 0.367 20 0 CCADLP COC(=O)[C@@H](C)C[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000310849153 277074655 /nfs/dbraw/zinc/07/46/55/277074655.db2.gz IUDUUOQUQRLRJB-JQWIXIFHSA-N 2 2 258.362 0.182 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)CC1 ZINC000357311776 277090072 /nfs/dbraw/zinc/09/00/72/277090072.db2.gz WREZICFZCIDOGZ-KGLIPLIRSA-N 2 2 281.400 0.261 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]3COCC[C@@H]32)CC1 ZINC000357311776 277090073 /nfs/dbraw/zinc/09/00/73/277090073.db2.gz WREZICFZCIDOGZ-KGLIPLIRSA-N 2 2 281.400 0.261 20 0 CCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C1 ZINC000423259068 277226283 /nfs/dbraw/zinc/22/62/83/277226283.db2.gz NGUNRMDQZZRQHO-ZIAGYGMSSA-N 3 2 255.406 0.686 20 0 CCADLP COCC[N@H+]1CC[C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C1 ZINC000423259068 277226284 /nfs/dbraw/zinc/22/62/84/277226284.db2.gz NGUNRMDQZZRQHO-ZIAGYGMSSA-N 3 2 255.406 0.686 20 0 CCADLP COC(=O)[C@H]1CC12CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)CC2 ZINC000351520727 277387562 /nfs/dbraw/zinc/38/75/62/277387562.db2.gz SMLDVUFGESZTKX-ZIAGYGMSSA-N 2 2 296.411 0.717 20 0 CCADLP COC(=O)[C@H]1CC12CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)CC2 ZINC000351520727 277387564 /nfs/dbraw/zinc/38/75/64/277387564.db2.gz SMLDVUFGESZTKX-ZIAGYGMSSA-N 2 2 296.411 0.717 20 0 CCADLP C(C[NH+]1CCCC1)N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346826742 277716889 /nfs/dbraw/zinc/71/68/89/277716889.db2.gz MMUQMNCOEDRDCX-MRXNPFEDSA-N 3 2 280.460 0.699 20 0 CCADLP C[C@@H](C(=O)N1CCCC[C@H]1CC[NH3+])[NH+]1CCOCC1 ZINC000357362791 278189402 /nfs/dbraw/zinc/18/94/02/278189402.db2.gz HJAJMQFQJLUNAP-STQMWFEESA-N 2 2 269.389 0.437 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000423396719 278332409 /nfs/dbraw/zinc/33/24/09/278332409.db2.gz SKCCGAVCODZENR-ZDUSSCGKSA-N 2 2 297.443 0.992 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000423396719 278332410 /nfs/dbraw/zinc/33/24/10/278332410.db2.gz SKCCGAVCODZENR-ZDUSSCGKSA-N 2 2 297.443 0.992 20 0 CCADLP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C(=O)N1CCOCC1 ZINC000422846054 288060397 /nfs/dbraw/zinc/06/03/97/288060397.db2.gz DQNSGKJWUFXNFK-RWMBFGLXSA-N 2 2 269.389 0.354 20 0 CCADLP Cc1cc(N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)nc(C)[nH+]1 ZINC000333866751 278709384 /nfs/dbraw/zinc/70/93/84/278709384.db2.gz AXYSMYGMKJFEPG-CYBMUJFWSA-N 2 2 289.383 0.494 20 0 CCADLP CC[N@H+](C)C[C@@H]1CCN(CC[NH+]2CCOC[C@@H]2C)C1 ZINC000191531143 279036896 /nfs/dbraw/zinc/03/68/96/279036896.db2.gz AIRSJXLVRVKVAB-GJZGRUSLSA-N 2 2 269.433 0.981 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CCN(CC[NH+]2CCOC[C@@H]2C)C1 ZINC000191531143 279036897 /nfs/dbraw/zinc/03/68/97/279036897.db2.gz AIRSJXLVRVKVAB-GJZGRUSLSA-N 2 2 269.433 0.981 20 0 CCADLP CC[NH+](C)C[C@@H]1CCN(CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC000191531143 279036898 /nfs/dbraw/zinc/03/68/98/279036898.db2.gz AIRSJXLVRVKVAB-GJZGRUSLSA-N 2 2 269.433 0.981 20 0 CCADLP CC[NH+](C)C[C@@H]1CCN(CC[N@H+]2CCOC[C@@H]2C)C1 ZINC000191531143 279036899 /nfs/dbraw/zinc/03/68/99/279036899.db2.gz AIRSJXLVRVKVAB-GJZGRUSLSA-N 2 2 269.433 0.981 20 0 CCADLP Cc1nc(N2CC[N@@H+](C)[C@@H](C)[C@H]2C)nc(N(C)C)[nH+]1 ZINC000356797960 279087624 /nfs/dbraw/zinc/08/76/24/279087624.db2.gz RANFJYBJCAQZDL-VHSXEESVSA-N 2 2 264.377 0.775 20 0 CCADLP Cc1nc(N2CC[N@H+](C)[C@@H](C)[C@H]2C)nc(N(C)C)[nH+]1 ZINC000356797960 279087627 /nfs/dbraw/zinc/08/76/27/279087627.db2.gz RANFJYBJCAQZDL-VHSXEESVSA-N 2 2 264.377 0.775 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC000038047566 288106441 /nfs/dbraw/zinc/10/64/41/288106441.db2.gz ZRSCHXYBRBZJRH-IJLUTSLNSA-N 2 2 262.419 0.739 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCS(C)(=O)=O ZINC000038047566 288106443 /nfs/dbraw/zinc/10/64/43/288106443.db2.gz ZRSCHXYBRBZJRH-IJLUTSLNSA-N 2 2 262.419 0.739 20 0 CCADLP CC(C)C[C@H](C[NH2+][C@@H]1CC[NH2+]C1)N1CCOCC1 ZINC000094075145 279164644 /nfs/dbraw/zinc/16/46/44/279164644.db2.gz XHIMOUFVBFGASN-ZIAGYGMSSA-N 2 2 255.406 0.685 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[NH+]2C ZINC000412425458 279277273 /nfs/dbraw/zinc/27/72/73/279277273.db2.gz ZHSJQKJWVXNOOU-MJBXVCDLSA-N 2 2 281.400 0.402 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[NH+]2C ZINC000412425458 279277275 /nfs/dbraw/zinc/27/72/75/279277275.db2.gz ZHSJQKJWVXNOOU-MJBXVCDLSA-N 2 2 281.400 0.402 20 0 CCADLP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000412425458 279277277 /nfs/dbraw/zinc/27/72/77/279277277.db2.gz ZHSJQKJWVXNOOU-MJBXVCDLSA-N 2 2 281.400 0.402 20 0 CCADLP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000412425458 279277279 /nfs/dbraw/zinc/27/72/79/279277279.db2.gz ZHSJQKJWVXNOOU-MJBXVCDLSA-N 2 2 281.400 0.402 20 0 CCADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000414800135 279367344 /nfs/dbraw/zinc/36/73/44/279367344.db2.gz YRSXADJDVHCHPH-YIYPIFLZSA-N 3 2 255.406 0.467 20 0 CCADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000422974173 279367473 /nfs/dbraw/zinc/36/74/73/279367473.db2.gz DILYHZPYDHUKFZ-HZSPNIEDSA-N 3 2 257.422 0.809 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C(=O)OC)C3CC3)C2)CC1 ZINC000359601196 279372995 /nfs/dbraw/zinc/37/29/95/279372995.db2.gz SGJNKTXXPPKWJY-GJZGRUSLSA-N 2 2 295.427 0.650 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C(=O)OC)C3CC3)C2)CC1 ZINC000359601196 279372996 /nfs/dbraw/zinc/37/29/96/279372996.db2.gz SGJNKTXXPPKWJY-GJZGRUSLSA-N 2 2 295.427 0.650 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000353520737 280068632 /nfs/dbraw/zinc/06/86/32/280068632.db2.gz OSGLAZGZDJNMQP-ILXRZTDVSA-N 2 2 295.427 0.554 20 0 CCADLP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1nccn1C ZINC000330890180 280190752 /nfs/dbraw/zinc/19/07/52/280190752.db2.gz VULLXIFONINRLC-DGCLKSJQSA-N 2 2 252.362 0.527 20 0 CCADLP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1nccn1C ZINC000330890180 280190753 /nfs/dbraw/zinc/19/07/53/280190753.db2.gz VULLXIFONINRLC-DGCLKSJQSA-N 2 2 252.362 0.527 20 0 CCADLP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccn(C)n1 ZINC000358253950 280190784 /nfs/dbraw/zinc/19/07/84/280190784.db2.gz PHSLJXWJNCBTQN-DGCLKSJQSA-N 2 2 252.362 0.527 20 0 CCADLP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccn(C)n1 ZINC000358253950 280190785 /nfs/dbraw/zinc/19/07/85/280190785.db2.gz PHSLJXWJNCBTQN-DGCLKSJQSA-N 2 2 252.362 0.527 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CC[C@H]2CCCO2)C1 ZINC000420304035 280266148 /nfs/dbraw/zinc/26/61/48/280266148.db2.gz IIUMYQDPEVVPGC-ZIAGYGMSSA-N 2 2 281.400 0.452 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000420304035 280266149 /nfs/dbraw/zinc/26/61/49/280266149.db2.gz IIUMYQDPEVVPGC-ZIAGYGMSSA-N 2 2 281.400 0.452 20 0 CCADLP O=C1[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCN1CC(F)(F)F ZINC000359282741 280314911 /nfs/dbraw/zinc/31/49/11/280314911.db2.gz TWWZRMYZQXLPLC-AEJSXWLSSA-N 2 2 277.290 0.301 20 0 CCADLP O=C1[C@@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCN1CC(F)(F)F ZINC000359282741 280314912 /nfs/dbraw/zinc/31/49/12/280314912.db2.gz TWWZRMYZQXLPLC-AEJSXWLSSA-N 2 2 277.290 0.301 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)N[C@@H](C)CC[NH3+])CCO1 ZINC000418567322 288288557 /nfs/dbraw/zinc/28/85/57/288288557.db2.gz WLKOEVGRIKTFPS-RYUDHWBXSA-N 2 2 272.393 0.134 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)N[C@@H](C)CC[NH3+])CCO1 ZINC000418567322 288288558 /nfs/dbraw/zinc/28/85/58/288288558.db2.gz WLKOEVGRIKTFPS-RYUDHWBXSA-N 2 2 272.393 0.134 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)NCC1([NH3+])CCC1 ZINC000417504094 281285609 /nfs/dbraw/zinc/28/56/09/281285609.db2.gz LDUUXNKDENJBGJ-UHFFFAOYSA-N 2 2 284.404 0.278 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)NCC1([NH3+])CCC1 ZINC000417504094 281285610 /nfs/dbraw/zinc/28/56/10/281285610.db2.gz LDUUXNKDENJBGJ-UHFFFAOYSA-N 2 2 284.404 0.278 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000347399595 282056528 /nfs/dbraw/zinc/05/65/28/282056528.db2.gz LSOANTRVGCUUOX-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP C[NH+](C)CC1(C(=O)NCC[NH+]2CCOCC2)CCCCC1 ZINC000358731337 289082861 /nfs/dbraw/zinc/08/28/61/289082861.db2.gz GVOKPEHOPCZUIN-UHFFFAOYSA-N 2 2 297.443 0.947 20 0 CCADLP C[C@H](C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)[NH+]1CCN(C)CC1 ZINC000346268611 289304519 /nfs/dbraw/zinc/30/45/19/289304519.db2.gz KLUQYWADUFYBKI-ZBFHGGJFSA-N 2 2 294.443 0.177 20 0 CCADLP C[C@H](C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)[NH+]1CCN(C)CC1 ZINC000346268611 289304523 /nfs/dbraw/zinc/30/45/23/289304523.db2.gz KLUQYWADUFYBKI-ZBFHGGJFSA-N 2 2 294.443 0.177 20 0 CCADLP CN(C)[C@H](C(=O)N1CCC[C@@H]([NH+](C)C)C1)c1c[nH+]cn1C ZINC000280721760 289345159 /nfs/dbraw/zinc/34/51/59/289345159.db2.gz HKEJZEOGMAQSGJ-OCCSQVGLSA-N 2 2 293.415 0.575 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]CCCS(C)(=O)=O)[C@H]2CCC[C@H]21 ZINC000353383543 290218469 /nfs/dbraw/zinc/21/84/69/290218469.db2.gz FWYMYJBMPGTIKZ-FRRDWIJNSA-N 2 2 274.430 0.884 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]CCCS(C)(=O)=O)[C@H]2CCC[C@H]21 ZINC000353383543 290218473 /nfs/dbraw/zinc/21/84/73/290218473.db2.gz FWYMYJBMPGTIKZ-FRRDWIJNSA-N 2 2 274.430 0.884 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[NH+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353674644 290246064 /nfs/dbraw/zinc/24/60/64/290246064.db2.gz SLHUZMMCEYRGGI-KBXIAJHMSA-N 3 2 267.417 0.515 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[NH+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353674644 290246068 /nfs/dbraw/zinc/24/60/68/290246068.db2.gz SLHUZMMCEYRGGI-KBXIAJHMSA-N 3 2 267.417 0.515 20 0 CCADLP C[NH+]1CC[C@](O)(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353674644 290246072 /nfs/dbraw/zinc/24/60/72/290246072.db2.gz SLHUZMMCEYRGGI-KBXIAJHMSA-N 3 2 267.417 0.515 20 0 CCADLP C[NH+]1CC[C@](O)(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353674644 290246076 /nfs/dbraw/zinc/24/60/76/290246076.db2.gz SLHUZMMCEYRGGI-KBXIAJHMSA-N 3 2 267.417 0.515 20 0 CCADLP CNC(=O)C[C@H](C)[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000344477835 290455926 /nfs/dbraw/zinc/45/59/26/290455926.db2.gz PONKIIRLNBQHGZ-YNEHKIRRSA-N 2 2 271.405 0.600 20 0 CCADLP NC(=O)NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000134885603 295074766 /nfs/dbraw/zinc/07/47/66/295074766.db2.gz PTWMKBDGMYYEHM-JQWIXIFHSA-N 2 2 280.372 0.130 20 0 CCADLP NC(=O)NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000134885603 295074770 /nfs/dbraw/zinc/07/47/70/295074770.db2.gz PTWMKBDGMYYEHM-JQWIXIFHSA-N 2 2 280.372 0.130 20 0 CCADLP NC(=O)NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000134885603 295074772 /nfs/dbraw/zinc/07/47/72/295074772.db2.gz PTWMKBDGMYYEHM-JQWIXIFHSA-N 2 2 280.372 0.130 20 0 CCADLP NC(=O)NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000134885603 295074776 /nfs/dbraw/zinc/07/47/76/295074776.db2.gz PTWMKBDGMYYEHM-JQWIXIFHSA-N 2 2 280.372 0.130 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CC2CC2)CC1 ZINC000131337861 295151827 /nfs/dbraw/zinc/15/18/27/295151827.db2.gz RLELUQOTHIHUCA-CYBMUJFWSA-N 2 2 251.374 0.811 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CC2CC2)CC1 ZINC000131337861 295151829 /nfs/dbraw/zinc/15/18/29/295151829.db2.gz RLELUQOTHIHUCA-CYBMUJFWSA-N 2 2 251.374 0.811 20 0 CCADLP [NH3+]C[C@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000422770527 295273998 /nfs/dbraw/zinc/27/39/98/295273998.db2.gz QFIQGAAJXMRMIL-KGLIPLIRSA-N 2 2 281.400 0.295 20 0 CCADLP [NH3+]C[C@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000422770527 295274000 /nfs/dbraw/zinc/27/40/00/295274000.db2.gz QFIQGAAJXMRMIL-KGLIPLIRSA-N 2 2 281.400 0.295 20 0 CCADLP [NH3+][C@@H]1CCc2ncc(NC(=O)[C@@H]3CC(F)(F)C[NH2+]3)cc2C1 ZINC000360834153 295323581 /nfs/dbraw/zinc/32/35/81/295323581.db2.gz OVPUXPVELQETLE-SKDRFNHKSA-N 2 2 296.321 0.833 20 0 CCADLP [NH3+]C1(CC(=O)NCc2ccc(N3CCOCC3)[nH+]c2)CC1 ZINC000398174590 545089011 /nfs/dbraw/zinc/08/90/11/545089011.db2.gz MKGKZWPEVBVCNJ-UHFFFAOYSA-N 2 2 290.367 0.416 20 0 CCADLP O=C(CCC1CC[NH2+]CC1)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394377719 545088066 /nfs/dbraw/zinc/08/80/66/545088066.db2.gz DXWSNEIBFAYDSR-OAHLLOKOSA-N 2 2 294.443 0.272 20 0 CCADLP O=C(CCC1CC[NH2+]CC1)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000394377719 545088067 /nfs/dbraw/zinc/08/80/67/545088067.db2.gz DXWSNEIBFAYDSR-OAHLLOKOSA-N 2 2 294.443 0.272 20 0 CCADLP C[C@H](C(=O)N1CCCC12CC[NH+](C)CC2)[NH+]1CCOCC1 ZINC000352774163 298012377 /nfs/dbraw/zinc/01/23/77/298012377.db2.gz WFPJBGMFCLKJCM-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422864354 298618339 /nfs/dbraw/zinc/61/83/39/298618339.db2.gz UUVKBWWNVRDUAF-ILXRZTDVSA-N 3 2 268.449 0.743 20 0 CCADLP C[C@H](C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1)CN1CCOCC1 ZINC000422756700 298778115 /nfs/dbraw/zinc/77/81/15/298778115.db2.gz HDRXUHAKTWIFSE-ILXRZTDVSA-N 2 2 285.432 0.311 20 0 CCADLP C[C@H]1CN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)C[C@H]1[NH+]1CCOCC1 ZINC000262354994 300177923 /nfs/dbraw/zinc/17/79/23/300177923.db2.gz HUDMVAYLNDDKAE-ZQDZILKHSA-N 2 2 295.427 0.554 20 0 CCADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000262060644 300604628 /nfs/dbraw/zinc/60/46/28/300604628.db2.gz AUEKLJRUDUIXPR-RTXFEEFZSA-N 2 2 297.424 0.844 20 0 CCADLP Cc1cccc([C@@H](CNC(=O)CC[NH3+])[NH+]2CCOCC2)c1 ZINC000237724723 302020474 /nfs/dbraw/zinc/02/04/74/302020474.db2.gz QGJFSWUWYRCHFW-OAHLLOKOSA-N 2 2 291.395 0.833 20 0 CCADLP NC(=O)NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134885583 303270786 /nfs/dbraw/zinc/27/07/86/303270786.db2.gz PTWMKBDGMYYEHM-PWSUYJOCSA-N 2 2 280.372 0.130 20 0 CCADLP NC(=O)NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134885583 303270788 /nfs/dbraw/zinc/27/07/88/303270788.db2.gz PTWMKBDGMYYEHM-PWSUYJOCSA-N 2 2 280.372 0.130 20 0 CCADLP NC(=O)NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134885583 303270789 /nfs/dbraw/zinc/27/07/89/303270789.db2.gz PTWMKBDGMYYEHM-PWSUYJOCSA-N 2 2 280.372 0.130 20 0 CCADLP NC(=O)NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134885583 303270791 /nfs/dbraw/zinc/27/07/91/303270791.db2.gz PTWMKBDGMYYEHM-PWSUYJOCSA-N 2 2 280.372 0.130 20 0 CCADLP C[C@H](C[NH2+]C[C@@H](O)CC(F)(F)F)C[NH+]1CCOCC1 ZINC000580064579 327687939 /nfs/dbraw/zinc/68/79/39/327687939.db2.gz LDCVBWPIFDMFJZ-MNOVXSKESA-N 2 2 284.322 0.858 20 0 CCADLP C[C@@H]1CN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)C[C@@H](C)[NH2+]1 ZINC000565832024 327030536 /nfs/dbraw/zinc/03/05/36/327030536.db2.gz NFICKWNPKBQZAP-GMTAPVOTSA-N 2 2 277.372 0.309 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCc2cc(F)ccc2F)[C@H](C[NH3+])C1 ZINC000584161882 327053486 /nfs/dbraw/zinc/05/34/86/327053486.db2.gz GJCPCMBGKHFBDA-GFCCVEGCSA-N 2 2 298.337 0.749 20 0 CCADLP C[N@H+](Cc1cnc(N2CCCC2)nc1)C1CC([NH3+])C1 ZINC000584172905 327057346 /nfs/dbraw/zinc/05/73/46/327057346.db2.gz KQPOGVKIGSEBKM-UHFFFAOYSA-N 2 2 261.373 0.998 20 0 CCADLP C[N@@H+](Cc1cnc(N2CCCC2)nc1)C1CC([NH3+])C1 ZINC000584172905 327057347 /nfs/dbraw/zinc/05/73/47/327057347.db2.gz KQPOGVKIGSEBKM-UHFFFAOYSA-N 2 2 261.373 0.998 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H]2CCC[C@H]2O)C[C@H](C)O1 ZINC000584232097 327071065 /nfs/dbraw/zinc/07/10/65/327071065.db2.gz DNZQLAMAHZXNPZ-AIEDFZFUSA-N 2 2 286.416 0.207 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]C[C@@H]2CCC[C@H]2O)C[C@H](C)O1 ZINC000584232097 327071067 /nfs/dbraw/zinc/07/10/67/327071067.db2.gz DNZQLAMAHZXNPZ-AIEDFZFUSA-N 2 2 286.416 0.207 20 0 CCADLP Cc1nn(C)c(C)c1NC(=O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000582125167 327311056 /nfs/dbraw/zinc/31/10/56/327311056.db2.gz IRYWYIHMZFHJAQ-PKFCDNJMSA-N 2 2 293.415 0.952 20 0 CCADLP CN(Cc1cnn(C)c1)C(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000582125306 327311411 /nfs/dbraw/zinc/31/14/11/327311411.db2.gz MYBJHTBQTCBXDY-CHWSQXEVSA-N 2 2 279.388 0.238 20 0 CCADLP CCC1(C[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)COC1 ZINC000574512069 327340721 /nfs/dbraw/zinc/34/07/21/327340721.db2.gz FTGUSPXEVOJXLO-MCIONIFRSA-N 2 2 286.416 0.473 20 0 CCADLP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000387569116 327353761 /nfs/dbraw/zinc/35/37/61/327353761.db2.gz IKRFVIRHWUBIFP-UONOGXRCSA-N 2 2 297.443 0.944 20 0 CCADLP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@H](O)C[NH+](C)C)c1 ZINC000574878654 327391101 /nfs/dbraw/zinc/39/11/01/327391101.db2.gz VTVNRLKOUNLSNJ-LSDHHAIUSA-N 2 2 296.411 0.555 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc(O)cc1)C1CC1 ZINC000394076299 329098356 /nfs/dbraw/zinc/09/83/56/329098356.db2.gz KTKZOCRIVJOLHZ-CQSZACIVSA-N 2 2 250.342 0.937 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc(O)cc1)C1CC1 ZINC000394076299 329098358 /nfs/dbraw/zinc/09/83/58/329098358.db2.gz KTKZOCRIVJOLHZ-CQSZACIVSA-N 2 2 250.342 0.937 20 0 CCADLP C[C@@H](CC(=O)NCC[N@@H+]1CCO[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000582668095 329122190 /nfs/dbraw/zinc/12/21/90/329122190.db2.gz MAYWEZOVEOLWFL-RRFJBIMHSA-N 2 2 297.443 0.849 20 0 CCADLP C[C@@H](CC(=O)NCC[N@H+]1CCO[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000582668095 329122191 /nfs/dbraw/zinc/12/21/91/329122191.db2.gz MAYWEZOVEOLWFL-RRFJBIMHSA-N 2 2 297.443 0.849 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](N2CCCC2=O)C1 ZINC000582734489 329133306 /nfs/dbraw/zinc/13/33/06/329133306.db2.gz YYYICPPLIFLCCM-KBPBESRZSA-N 2 2 283.416 0.386 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](N2CCCC2=O)C1 ZINC000582734489 329133307 /nfs/dbraw/zinc/13/33/07/329133307.db2.gz YYYICPPLIFLCCM-KBPBESRZSA-N 2 2 283.416 0.386 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000582734489 329133308 /nfs/dbraw/zinc/13/33/08/329133308.db2.gz YYYICPPLIFLCCM-KBPBESRZSA-N 2 2 283.416 0.386 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000582734489 329133309 /nfs/dbraw/zinc/13/33/09/329133309.db2.gz YYYICPPLIFLCCM-KBPBESRZSA-N 2 2 283.416 0.386 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CCNC(=O)c2cnccn2)n1C ZINC000582737100 329134207 /nfs/dbraw/zinc/13/42/07/329134207.db2.gz QXHQXIOFWNUEOA-UHFFFAOYSA-N 2 2 274.328 0.038 20 0 CCADLP CC(C)[NH2+]C1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000582788891 329202927 /nfs/dbraw/zinc/20/29/27/329202927.db2.gz OGPZDBRHQYTDGW-UHFFFAOYSA-N 3 2 254.422 0.354 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1COC ZINC000395996708 329306143 /nfs/dbraw/zinc/30/61/43/329306143.db2.gz ICOUBCSAWRQPEU-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1COC ZINC000395996708 329306145 /nfs/dbraw/zinc/30/61/45/329306145.db2.gz ICOUBCSAWRQPEU-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1COC ZINC000395996708 329306147 /nfs/dbraw/zinc/30/61/47/329306147.db2.gz ICOUBCSAWRQPEU-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1COC ZINC000395996708 329306148 /nfs/dbraw/zinc/30/61/48/329306148.db2.gz ICOUBCSAWRQPEU-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000575936434 335133831 /nfs/dbraw/zinc/13/38/31/335133831.db2.gz UPUCSAJQKHNLSN-ZDUSSCGKSA-N 2 2 265.361 0.941 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000575936434 335133832 /nfs/dbraw/zinc/13/38/32/335133832.db2.gz UPUCSAJQKHNLSN-ZDUSSCGKSA-N 2 2 265.361 0.941 20 0 CCADLP CO[C@@H]1CC[N@H+](CCOC[C@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000576280411 335182122 /nfs/dbraw/zinc/18/21/22/335182122.db2.gz UWXKMZJBGHBORJ-BFHYXJOUSA-N 2 2 272.389 0.620 20 0 CCADLP CO[C@@H]1CC[N@@H+](CCOC[C@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000576280411 335182124 /nfs/dbraw/zinc/18/21/24/335182124.db2.gz UWXKMZJBGHBORJ-BFHYXJOUSA-N 2 2 272.389 0.620 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000576452737 335204974 /nfs/dbraw/zinc/20/49/74/335204974.db2.gz WYOWAAKQCGMMTM-UHFFFAOYSA-N 2 2 276.384 0.953 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCc2cccc(F)c2F)[C@@H](C[NH3+])C1 ZINC000576516253 335213514 /nfs/dbraw/zinc/21/35/14/335213514.db2.gz MCVFIOAYBLFNSH-LBPRGKRZSA-N 2 2 297.349 0.999 20 0 CCADLP C[N@H+]1CCN(C(=O)CCc2cccc(F)c2F)[C@@H](C[NH3+])C1 ZINC000576516253 335213516 /nfs/dbraw/zinc/21/35/16/335213516.db2.gz MCVFIOAYBLFNSH-LBPRGKRZSA-N 2 2 297.349 0.999 20 0 CCADLP CC[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccncc1 ZINC000576568757 335219819 /nfs/dbraw/zinc/21/98/19/335219819.db2.gz LWSWYYAQBPPSEZ-ZIAGYGMSSA-N 2 2 291.399 0.817 20 0 CCADLP CC[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccncc1 ZINC000576568757 335219820 /nfs/dbraw/zinc/21/98/20/335219820.db2.gz LWSWYYAQBPPSEZ-ZIAGYGMSSA-N 2 2 291.399 0.817 20 0 CCADLP Cc1nn(C)c2ncc(CN3CC[N@H+](C)C[C@@H]3C[NH3+])cc12 ZINC000576755457 335243889 /nfs/dbraw/zinc/24/38/89/335243889.db2.gz LROHJRSMMHRMRU-ZDUSSCGKSA-N 2 2 288.399 0.351 20 0 CCADLP Cc1nn(C)c2ncc(CN3CC[N@@H+](C)C[C@@H]3C[NH3+])cc12 ZINC000576755457 335243891 /nfs/dbraw/zinc/24/38/91/335243891.db2.gz LROHJRSMMHRMRU-ZDUSSCGKSA-N 2 2 288.399 0.351 20 0 CCADLP CCCN(CCC[NH+](C)C)C(=O)[C@H]1COCC[N@@H+]1CC ZINC000577001898 335276970 /nfs/dbraw/zinc/27/69/70/335276970.db2.gz KZXSCARAGDYPQL-CQSZACIVSA-N 2 2 285.432 0.897 20 0 CCADLP CCCN(CCC[NH+](C)C)C(=O)[C@H]1COCC[N@H+]1CC ZINC000577001898 335276971 /nfs/dbraw/zinc/27/69/71/335276971.db2.gz KZXSCARAGDYPQL-CQSZACIVSA-N 2 2 285.432 0.897 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000577072760 335295549 /nfs/dbraw/zinc/29/55/49/335295549.db2.gz AYUXTHPCEGHVOE-ZIAGYGMSSA-N 2 2 286.416 0.569 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000577072760 335295550 /nfs/dbraw/zinc/29/55/50/335295550.db2.gz AYUXTHPCEGHVOE-ZIAGYGMSSA-N 2 2 286.416 0.569 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000577072760 335295551 /nfs/dbraw/zinc/29/55/51/335295551.db2.gz AYUXTHPCEGHVOE-ZIAGYGMSSA-N 2 2 286.416 0.569 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000577072760 335295552 /nfs/dbraw/zinc/29/55/52/335295552.db2.gz AYUXTHPCEGHVOE-ZIAGYGMSSA-N 2 2 286.416 0.569 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CC2=CCOCC2)C[C@H](C)O1 ZINC000577099111 335299779 /nfs/dbraw/zinc/29/97/79/335299779.db2.gz WRUQHPWYBKHDIY-GUTXKFCHSA-N 2 2 284.400 0.393 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CC2=CCOCC2)C[C@H](C)O1 ZINC000577099111 335299781 /nfs/dbraw/zinc/29/97/81/335299781.db2.gz WRUQHPWYBKHDIY-GUTXKFCHSA-N 2 2 284.400 0.393 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCCSC2)[C@@H](C[NH3+])C1 ZINC000577208059 335322721 /nfs/dbraw/zinc/32/27/21/335322721.db2.gz FCVVKEARNKNDBD-MNOVXSKESA-N 2 2 272.418 0.166 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCCSC2)[C@@H](C[NH3+])C1 ZINC000577208059 335322722 /nfs/dbraw/zinc/32/27/22/335322722.db2.gz FCVVKEARNKNDBD-MNOVXSKESA-N 2 2 272.418 0.166 20 0 CCADLP CC(C)(C(=O)NC[C@]1(O)C[NH+]2CCC1CC2)c1c[nH]c[nH+]1 ZINC000577504805 335361269 /nfs/dbraw/zinc/36/12/69/335361269.db2.gz OWDDTAVPGNETKW-HNNXBMFYSA-N 2 2 292.383 0.260 20 0 CCADLP [NH3+][C@H](CC(F)F)C(=O)NCCNc1cccc[nH+]1 ZINC000577606610 335377054 /nfs/dbraw/zinc/37/70/54/335377054.db2.gz BXXNLEUCYIKLBE-MRVPVSSYSA-N 2 2 258.272 0.592 20 0 CCADLP CC(C)OC[C@@H](O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000578298850 335596510 /nfs/dbraw/zinc/59/65/10/335596510.db2.gz CJCBEZQJAHAYJN-LBPRGKRZSA-N 2 2 268.361 0.318 20 0 CCADLP CCN(C)C(=O)CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000579241083 335726289 /nfs/dbraw/zinc/72/62/89/335726289.db2.gz DEPOJKPQZBTOBO-UHFFFAOYSA-N 2 2 265.361 0.400 20 0 CCADLP CC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000182238379 335805594 /nfs/dbraw/zinc/80/55/94/335805594.db2.gz QIQYWWVUGXPGGH-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP CN(CCC[NH+](C)C)C(=O)NCCn1cc[nH+]c1 ZINC000184206008 335920564 /nfs/dbraw/zinc/92/05/64/335920564.db2.gz HGPMXDKMEXETHP-UHFFFAOYSA-N 2 2 253.350 0.476 20 0 CCADLP CC[C@H](CCO)C[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000581131183 336012698 /nfs/dbraw/zinc/01/26/98/336012698.db2.gz AZVVMTGRVYSLHO-XQLPTFJDSA-N 2 2 288.432 0.455 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N(C)Cc1[nH+]ccn1C ZINC000581546868 336099999 /nfs/dbraw/zinc/09/99/99/336099999.db2.gz LHRGDQQCNZLFHI-VHSXEESVSA-N 2 2 253.350 0.687 20 0 CCADLP CO[C@H]1CC[N@H+](CCn2cc(C)cn2)[C@H](C[NH3+])C1 ZINC000385355020 336144722 /nfs/dbraw/zinc/14/47/22/336144722.db2.gz HFWSVGKOZWMCOS-STQMWFEESA-N 2 2 252.362 0.630 20 0 CCADLP CO[C@H]1CC[N@@H+](CCn2cc(C)cn2)[C@H](C[NH3+])C1 ZINC000385355020 336144724 /nfs/dbraw/zinc/14/47/24/336144724.db2.gz HFWSVGKOZWMCOS-STQMWFEESA-N 2 2 252.362 0.630 20 0 CCADLP C[NH+]1CCC(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC000581782800 336146146 /nfs/dbraw/zinc/14/61/46/336146146.db2.gz CSEHYFPVXHTMDI-UHFFFAOYSA-N 2 2 250.346 0.731 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)[C@H]([NH3+])c1cscn1 ZINC000581882584 336158740 /nfs/dbraw/zinc/15/87/40/336158740.db2.gz DMYHRYFGZAEIGL-LLVKDONJSA-N 2 2 286.401 0.227 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)[C@H]([NH3+])c1cscn1 ZINC000581882584 336158741 /nfs/dbraw/zinc/15/87/41/336158741.db2.gz DMYHRYFGZAEIGL-LLVKDONJSA-N 2 2 286.401 0.227 20 0 CCADLP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000385949885 336163270 /nfs/dbraw/zinc/16/32/70/336163270.db2.gz CMBRVJNOHJTAKA-GJZGRUSLSA-N 3 2 268.449 0.744 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CSC ZINC000386279484 336169856 /nfs/dbraw/zinc/16/98/56/336169856.db2.gz ZHYCNRPVHCANJK-CHWSQXEVSA-N 2 2 276.446 0.753 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CSC ZINC000386279484 336169857 /nfs/dbraw/zinc/16/98/57/336169857.db2.gz ZHYCNRPVHCANJK-CHWSQXEVSA-N 2 2 276.446 0.753 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1CSC ZINC000386279484 336169858 /nfs/dbraw/zinc/16/98/58/336169858.db2.gz ZHYCNRPVHCANJK-CHWSQXEVSA-N 2 2 276.446 0.753 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1CSC ZINC000386279484 336169859 /nfs/dbraw/zinc/16/98/59/336169859.db2.gz ZHYCNRPVHCANJK-CHWSQXEVSA-N 2 2 276.446 0.753 20 0 CCADLP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)[C@H]1CCCC[NH2+]1 ZINC000422763115 533846782 /nfs/dbraw/zinc/84/67/82/533846782.db2.gz OONBGYBPNXVPDG-DZGCQCFKSA-N 3 2 269.433 0.953 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418393199 533852915 /nfs/dbraw/zinc/85/29/15/533852915.db2.gz DUAYPPYLCJBBQR-AAEUAGOBSA-N 2 2 284.404 0.086 20 0 CCADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1cn[nH]c1 ZINC000453266211 533904837 /nfs/dbraw/zinc/90/48/37/533904837.db2.gz ODAREWGSTQTHND-WCQYABFASA-N 2 2 252.362 0.907 20 0 CCADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1cn[nH]c1 ZINC000453266211 533904844 /nfs/dbraw/zinc/90/48/44/533904844.db2.gz ODAREWGSTQTHND-WCQYABFASA-N 2 2 252.362 0.907 20 0 CCADLP COc1ccccc1/C=C\C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000493108593 533955012 /nfs/dbraw/zinc/95/50/12/533955012.db2.gz SNMQKJOVRXWFJT-WBTMPAOCSA-N 2 2 289.379 0.810 20 0 CCADLP COc1ccccc1/C=C\C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000493108593 533955015 /nfs/dbraw/zinc/95/50/15/533955015.db2.gz SNMQKJOVRXWFJT-WBTMPAOCSA-N 2 2 289.379 0.810 20 0 CCADLP CS[C@@H]1CC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000425366140 534000038 /nfs/dbraw/zinc/00/00/38/534000038.db2.gz ZOJRLTLPHFMHFI-IJLUTSLNSA-N 2 2 271.430 0.810 20 0 CCADLP CS[C@@H]1CC[C@H]1[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000425366140 534000044 /nfs/dbraw/zinc/00/00/44/534000044.db2.gz ZOJRLTLPHFMHFI-IJLUTSLNSA-N 2 2 271.430 0.810 20 0 CCADLP C[C@H](C[NH3+])CNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000418476648 534040394 /nfs/dbraw/zinc/04/03/94/534040394.db2.gz SXQJTOKTTIYFHV-YPMHNXCESA-N 2 2 278.356 0.839 20 0 CCADLP C[C@H](C[NH3+])CNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000418478009 534040917 /nfs/dbraw/zinc/04/09/17/534040917.db2.gz WFIHMHZPRLCRAY-CYBMUJFWSA-N 2 2 291.399 0.504 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000454268033 534063248 /nfs/dbraw/zinc/06/32/48/534063248.db2.gz PLBFWZYDXMUCPD-HZSPNIEDSA-N 2 2 296.415 0.053 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000454268033 534063254 /nfs/dbraw/zinc/06/32/54/534063254.db2.gz PLBFWZYDXMUCPD-HZSPNIEDSA-N 2 2 296.415 0.053 20 0 CCADLP C[C@H](O)CNc1cc(NC[C@H](C2CC2)[NH+](C)C)nc[nH+]1 ZINC000413122340 534090233 /nfs/dbraw/zinc/09/02/33/534090233.db2.gz JNNUYGLXGUFXSB-CMPLNLGQSA-N 2 2 279.388 0.443 20 0 CCADLP C[NH+](C)C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC000514640969 535956154 /nfs/dbraw/zinc/95/61/54/535956154.db2.gz ZHIMNZBUJPSNFG-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP CC(C)(C)CCNC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359278141 518649537 /nfs/dbraw/zinc/64/95/37/518649537.db2.gz NOOKYIFMRDRZRJ-TXEJJXNPSA-N 2 2 253.390 0.690 20 0 CCADLP CC(C)(C)CCNC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359278141 518649546 /nfs/dbraw/zinc/64/95/46/518649546.db2.gz NOOKYIFMRDRZRJ-TXEJJXNPSA-N 2 2 253.390 0.690 20 0 CCADLP O=C(CCOC1C[NH2+]C1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000423799532 534435569 /nfs/dbraw/zinc/43/55/69/534435569.db2.gz KKOJXXCIGDYUIB-GFCCVEGCSA-N 2 2 290.367 0.155 20 0 CCADLP CC(C)NC(=O)CN1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000182671267 519706763 /nfs/dbraw/zinc/70/67/63/519706763.db2.gz BQTGINVFAVNGOY-UHFFFAOYSA-N 2 2 293.415 0.415 20 0 CCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000083018418 520243408 /nfs/dbraw/zinc/24/34/08/520243408.db2.gz ZEUZLOLKFVMKIM-AWEZNQCLSA-N 2 2 298.431 0.302 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000083018418 520243414 /nfs/dbraw/zinc/24/34/14/520243414.db2.gz ZEUZLOLKFVMKIM-AWEZNQCLSA-N 2 2 298.431 0.302 20 0 CCADLP CC(=O)NC[C@H]1CCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000347734863 534484775 /nfs/dbraw/zinc/48/47/75/534484775.db2.gz IMRFHLLBLDJZPZ-CYBMUJFWSA-N 2 2 264.373 0.811 20 0 CCADLP CC(=O)NC[C@H]1CCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000347734863 534484778 /nfs/dbraw/zinc/48/47/78/534484778.db2.gz IMRFHLLBLDJZPZ-CYBMUJFWSA-N 2 2 264.373 0.811 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000424136507 534507308 /nfs/dbraw/zinc/50/73/08/534507308.db2.gz APTKCGJBMZPMKV-SNVBAGLBSA-N 2 2 288.355 0.572 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]Cc1cccc(C(N)=O)c1 ZINC000184546316 521117058 /nfs/dbraw/zinc/11/70/58/521117058.db2.gz XQRDLSILRQUCCC-UHFFFAOYSA-N 2 2 265.357 0.189 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]Cc1cccc(C(N)=O)c1 ZINC000184546316 521117061 /nfs/dbraw/zinc/11/70/61/521117061.db2.gz XQRDLSILRQUCCC-UHFFFAOYSA-N 2 2 265.357 0.189 20 0 CCADLP [NH3+]CC1(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CCCC1 ZINC000423748608 534586105 /nfs/dbraw/zinc/58/61/05/534586105.db2.gz ASFSKRLRROUZII-CYBMUJFWSA-N 2 2 281.400 0.485 20 0 CCADLP [NH3+]CC1(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CCCC1 ZINC000423748608 534586110 /nfs/dbraw/zinc/58/61/10/534586110.db2.gz ASFSKRLRROUZII-CYBMUJFWSA-N 2 2 281.400 0.485 20 0 CCADLP C[NH+](C)C[C@H]1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000363714558 521876149 /nfs/dbraw/zinc/87/61/49/521876149.db2.gz QPHNABMYUJPDEQ-CQSZACIVSA-N 2 2 295.427 0.651 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[NH+](CCOC)CC1 ZINC000155615307 522366308 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C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)C[C@@H]1C ZINC000246729820 525757423 /nfs/dbraw/zinc/75/74/23/525757423.db2.gz YFOYMNFLHGSOPT-YDHLFZDLSA-N 2 2 291.395 0.600 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)C[C@@H]1C ZINC000246729820 525757435 /nfs/dbraw/zinc/75/74/35/525757435.db2.gz YFOYMNFLHGSOPT-YDHLFZDLSA-N 2 2 291.395 0.600 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@H](C[NH3+])c2ccccc2)C1 ZINC000252553676 536435920 /nfs/dbraw/zinc/43/59/20/536435920.db2.gz RGIBTTHIRJNPKY-UONOGXRCSA-N 2 2 277.368 0.176 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@H](C[NH3+])c2ccccc2)C1 ZINC000252553676 536435923 /nfs/dbraw/zinc/43/59/23/536435923.db2.gz RGIBTTHIRJNPKY-UONOGXRCSA-N 2 2 277.368 0.176 20 0 CCADLP C[NH2+]CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000237238954 536441196 /nfs/dbraw/zinc/44/11/96/536441196.db2.gz CPBYHHROBCIBFM-AWEZNQCLSA-N 2 2 277.368 0.223 20 0 CCADLP C[NH2+]CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000237238954 536441197 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NC(=O)NC(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157539487 526926139 /nfs/dbraw/zinc/92/61/39/526926139.db2.gz ZMUHUSWSBXCETG-LLVKDONJSA-N 2 2 268.361 0.132 20 0 CCADLP CC(C)(C[NH3+])NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000417921569 527075663 /nfs/dbraw/zinc/07/56/63/527075663.db2.gz HQPCKGGCOXNSLE-LLVKDONJSA-N 2 2 277.372 0.697 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccncn1 ZINC000666793921 545131274 /nfs/dbraw/zinc/13/12/74/545131274.db2.gz DAPQNLGZHJSYQF-UHFFFAOYSA-N 2 2 280.376 0.482 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccncn1 ZINC000666793921 545131275 /nfs/dbraw/zinc/13/12/75/545131275.db2.gz DAPQNLGZHJSYQF-UHFFFAOYSA-N 2 2 280.376 0.482 20 0 CCADLP C[C@H](NC(=O)N1CC[N@H+](CCO)C[C@@H]1C)c1[nH+]ccn1C ZINC000667247309 545141658 /nfs/dbraw/zinc/14/16/58/545141658.db2.gz BQDABKSPGIBLLZ-RYUDHWBXSA-N 2 2 295.387 0.189 20 0 CCADLP C[C@H](NC(=O)N1CC[N@@H+](CCO)C[C@@H]1C)c1[nH+]ccn1C ZINC000667247309 545141659 /nfs/dbraw/zinc/14/16/59/545141659.db2.gz BQDABKSPGIBLLZ-RYUDHWBXSA-N 2 2 295.387 0.189 20 0 CCADLP O[C@H]1CCC[C@H]1[NH+]1CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000667595863 545150478 /nfs/dbraw/zinc/15/04/78/545150478.db2.gz SJMRNQGSDQQDIY-CABCVRRESA-N 2 2 290.411 0.860 20 0 CCADLP O[C@H]1CCC[C@@H]1[NH+]1CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000667595864 545150649 /nfs/dbraw/zinc/15/06/49/545150649.db2.gz SJMRNQGSDQQDIY-GJZGRUSLSA-N 2 2 290.411 0.860 20 0 CCADLP CNC(=O)[C@@H]1CCC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000667626415 545152112 /nfs/dbraw/zinc/15/21/12/545152112.db2.gz UKCZEHKNXGFVQP-LLVKDONJSA-N 2 2 250.346 0.687 20 0 CCADLP Cc1[nH+]cc(CN2CC[NH+](C(C)(C)CO)CC2)n1C ZINC000667647005 545152609 /nfs/dbraw/zinc/15/26/09/545152609.db2.gz ILDXVPRCXMBNEQ-UHFFFAOYSA-N 2 2 266.389 0.617 20 0 CCADLP Cc1[nH+]cc(C[NH2+]C(C)(C)CS(C)(=O)=O)n1C ZINC000667990831 545160424 /nfs/dbraw/zinc/16/04/24/545160424.db2.gz YHTSDCVAGVKVQV-UHFFFAOYSA-N 2 2 259.375 0.641 20 0 CCADLP COCC[N@H+](C)CCNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000667993703 545160531 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ZINC000365669359 527468003 /nfs/dbraw/zinc/46/80/03/527468003.db2.gz SIMLDIZATDZRFE-NSHDSACASA-N 2 2 286.401 0.149 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000365669359 527468007 /nfs/dbraw/zinc/46/80/07/527468007.db2.gz SIMLDIZATDZRFE-NSHDSACASA-N 2 2 286.401 0.149 20 0 CCADLP CC(C)[C@H]1CN(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CC[NH2+]1 ZINC000668166497 545165977 /nfs/dbraw/zinc/16/59/77/545165977.db2.gz ROXVKMBHBAIYOI-QWHCGFSZSA-N 2 2 279.388 0.911 20 0 CCADLP NC(=O)C[C@]1(O)CCC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668258092 545169971 /nfs/dbraw/zinc/16/99/71/545169971.db2.gz YKGJEDVIMBEVJD-CQSZACIVSA-N 2 2 278.356 0.032 20 0 CCADLP NC(=O)C[C@]1(O)CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668258092 545169972 /nfs/dbraw/zinc/16/99/72/545169972.db2.gz YKGJEDVIMBEVJD-CQSZACIVSA-N 2 2 278.356 0.032 20 0 CCADLP C[NH+](C)C1(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000668379001 545175934 /nfs/dbraw/zinc/17/59/34/545175934.db2.gz YWGANCFVABNGOC-CHWSQXEVSA-N 2 2 281.400 0.138 20 0 CCADLP C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000668462541 545178756 /nfs/dbraw/zinc/17/87/56/545178756.db2.gz PBVZETASTRHSDP-RYUDHWBXSA-N 2 2 276.384 0.973 20 0 CCADLP C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000668462541 545178757 /nfs/dbraw/zinc/17/87/57/545178757.db2.gz PBVZETASTRHSDP-RYUDHWBXSA-N 2 2 276.384 0.973 20 0 CCADLP C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000668462541 545178758 /nfs/dbraw/zinc/17/87/58/545178758.db2.gz PBVZETASTRHSDP-RYUDHWBXSA-N 2 2 276.384 0.973 20 0 CCADLP C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000668462541 545178759 /nfs/dbraw/zinc/17/87/59/545178759.db2.gz PBVZETASTRHSDP-RYUDHWBXSA-N 2 2 276.384 0.973 20 0 CCADLP Cn1nnnc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000365083362 527655514 /nfs/dbraw/zinc/65/55/14/527655514.db2.gz TXWZPJSVKNMIRX-UHFFFAOYSA-N 2 2 264.377 0.518 20 0 CCADLP Cn1nnnc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000363755055 527656690 /nfs/dbraw/zinc/65/66/90/527656690.db2.gz CXNIVQWVTRJUJR-MNOVXSKESA-N 2 2 250.350 0.126 20 0 CCADLP Cn1nnnc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000363755055 527656692 /nfs/dbraw/zinc/65/66/92/527656692.db2.gz CXNIVQWVTRJUJR-MNOVXSKESA-N 2 2 250.350 0.126 20 0 CCADLP Cn1nnnc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000363755055 527656697 /nfs/dbraw/zinc/65/66/97/527656697.db2.gz CXNIVQWVTRJUJR-MNOVXSKESA-N 2 2 250.350 0.126 20 0 CCADLP Cn1nnnc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000363755055 527656702 /nfs/dbraw/zinc/65/67/02/527656702.db2.gz CXNIVQWVTRJUJR-MNOVXSKESA-N 2 2 250.350 0.126 20 0 CCADLP O=C1CC[C@H]2C[N@H+](Cc3c[nH+]c4n3CCC4)CC[C@@H]2N1 ZINC000668545193 545181065 /nfs/dbraw/zinc/18/10/65/545181065.db2.gz NXXRIKMNULJIJG-AAEUAGOBSA-N 2 2 274.368 0.930 20 0 CCADLP O=C1CC[C@H]2C[N@@H+](Cc3c[nH+]c4n3CCC4)CC[C@@H]2N1 ZINC000668545193 545181066 /nfs/dbraw/zinc/18/10/66/545181066.db2.gz NXXRIKMNULJIJG-AAEUAGOBSA-N 2 2 274.368 0.930 20 0 CCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)n1C ZINC000668546335 545181264 /nfs/dbraw/zinc/18/12/64/545181264.db2.gz YAKFODWEJHHDSU-DGCLKSJQSA-N 2 2 262.357 0.829 20 0 CCADLP Cc1[nH+]cc(C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)n1C ZINC000668546335 545181265 /nfs/dbraw/zinc/18/12/65/545181265.db2.gz YAKFODWEJHHDSU-DGCLKSJQSA-N 2 2 262.357 0.829 20 0 CCADLP CC(C)(CNC(=O)NC[C@H]1CCCC[NH2+]1)[NH+]1CCOCC1 ZINC000668618467 545184071 /nfs/dbraw/zinc/18/40/71/545184071.db2.gz YXMNGIIGOAIRMY-CYBMUJFWSA-N 2 2 298.431 0.539 20 0 CCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)NC[C@H](C)[NH3+] ZINC000668793118 545190935 /nfs/dbraw/zinc/19/09/35/545190935.db2.gz JKIMYVYPCDVWFW-JTQLQIEISA-N 2 2 275.356 0.991 20 0 CCADLP CC(C)OC1CC([NH2+]C[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000428076956 527880509 /nfs/dbraw/zinc/88/05/09/527880509.db2.gz DAAOJVNONASEAB-ROKHWSDSSA-N 2 2 255.406 0.778 20 0 CCADLP CC(C)OC1CC([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000428076956 527880518 /nfs/dbraw/zinc/88/05/18/527880518.db2.gz DAAOJVNONASEAB-ROKHWSDSSA-N 2 2 255.406 0.778 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C2CCN(C(=O)CCOC)CC2)C1 ZINC000358292120 527974635 /nfs/dbraw/zinc/97/46/35/527974635.db2.gz GZHTVMAVWCPVMZ-DZGCQCFKSA-N 2 2 297.443 0.944 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C2CCN(C(=O)CCOC)CC2)C1 ZINC000358292120 527974639 /nfs/dbraw/zinc/97/46/39/527974639.db2.gz GZHTVMAVWCPVMZ-DZGCQCFKSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H](CNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)[NH+]1CCOCC1 ZINC000669283170 545204501 /nfs/dbraw/zinc/20/45/01/545204501.db2.gz CKHHZXJTBBWXSQ-MGPQQGTHSA-N 2 2 296.415 0.101 20 0 CCADLP CN(C)c1ccc(CNC(=O)NCC[NH2+]C2CC2)c[nH+]1 ZINC000669291068 545204628 /nfs/dbraw/zinc/20/46/28/545204628.db2.gz DQCPNQGTDUWAPI-UHFFFAOYSA-N 2 2 277.372 0.699 20 0 CCADLP CCO[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000451521731 528061635 /nfs/dbraw/zinc/06/16/35/528061635.db2.gz FLHSRHYPXKULIS-KGLIPLIRSA-N 2 2 283.416 0.507 20 0 CCADLP CCO[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000451521731 528061636 /nfs/dbraw/zinc/06/16/36/528061636.db2.gz FLHSRHYPXKULIS-KGLIPLIRSA-N 2 2 283.416 0.507 20 0 CCADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1C(=O)NCC(=O)OC ZINC000419356778 528104559 /nfs/dbraw/zinc/10/45/59/528104559.db2.gz NJGLOAIRURCQOO-CYBMUJFWSA-N 2 2 299.415 0.472 20 0 CCADLP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1C(=O)NCC(=O)OC ZINC000419356778 528104563 /nfs/dbraw/zinc/10/45/63/528104563.db2.gz NJGLOAIRURCQOO-CYBMUJFWSA-N 2 2 299.415 0.472 20 0 CCADLP Cc1cccn2cc(CCNC(=O)NC[C@@H](C)[NH3+])[nH+]c12 ZINC000669511781 545211634 /nfs/dbraw/zinc/21/16/34/545211634.db2.gz GLZBIHYWBYMUFP-LLVKDONJSA-N 2 2 275.356 0.832 20 0 CCADLP CC[NH2+]CCNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000418328163 528307013 /nfs/dbraw/zinc/30/70/13/528307013.db2.gz RSDZPDLREHPBOT-ZDUSSCGKSA-N 2 2 293.415 0.994 20 0 CCADLP CCC(=O)N1CC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000425518756 528327426 /nfs/dbraw/zinc/32/74/26/528327426.db2.gz ZZODWPWZBMSZBD-UHFFFAOYSA-N 2 2 296.459 0.914 20 0 CCADLP CCC(=O)N1CC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000425518756 528327439 /nfs/dbraw/zinc/32/74/39/528327439.db2.gz ZZODWPWZBMSZBD-UHFFFAOYSA-N 2 2 296.459 0.914 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418596607 528407285 /nfs/dbraw/zinc/40/72/85/528407285.db2.gz CQIRHVWZZIXLFT-UPJWGTAASA-N 2 2 284.404 0.147 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418596607 528407287 /nfs/dbraw/zinc/40/72/87/528407287.db2.gz CQIRHVWZZIXLFT-UPJWGTAASA-N 2 2 284.404 0.147 20 0 CCADLP CCCCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424331318 528517270 /nfs/dbraw/zinc/51/72/70/528517270.db2.gz JNDRAMBQCGTEOR-GHMZBOCLSA-N 2 2 270.377 0.472 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000449143198 528536855 /nfs/dbraw/zinc/53/68/55/528536855.db2.gz PLWSMIPDWMBVER-STQMWFEESA-N 2 2 299.415 0.470 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000449139260 528550065 /nfs/dbraw/zinc/55/00/65/528550065.db2.gz AGEIYIZFMALYKQ-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000449086902 528554391 /nfs/dbraw/zinc/55/43/91/528554391.db2.gz DQSWERZXUMTJQM-NWDGAFQWSA-N 2 2 257.378 0.211 20 0 CCADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[NH2+]CCO2)[C@@H](C)C1 ZINC000423527170 528668897 /nfs/dbraw/zinc/66/88/97/528668897.db2.gz RJUFDXTWPATGMJ-XHSDSOJGSA-N 3 2 299.459 0.701 20 0 CCADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2C[NH2+]CCO2)[C@@H](C)C1 ZINC000423527170 528668905 /nfs/dbraw/zinc/66/89/05/528668905.db2.gz RJUFDXTWPATGMJ-XHSDSOJGSA-N 3 2 299.459 0.701 20 0 CCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCC(F)(F)C[NH3+] ZINC000418510734 528742020 /nfs/dbraw/zinc/74/20/20/528742020.db2.gz IMHOIPKPRLTMEI-JTQLQIEISA-N 2 2 278.347 0.562 20 0 CCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCC(F)(F)C[NH3+] ZINC000418510734 528742022 /nfs/dbraw/zinc/74/20/22/528742022.db2.gz IMHOIPKPRLTMEI-JTQLQIEISA-N 2 2 278.347 0.562 20 0 CCADLP CC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1COC1 ZINC000449429968 528871756 /nfs/dbraw/zinc/87/17/56/528871756.db2.gz XYBUKKNLCPKGNX-UHFFFAOYSA-N 2 2 291.399 0.449 20 0 CCADLP CC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1COC1 ZINC000449429968 528871758 /nfs/dbraw/zinc/87/17/58/528871758.db2.gz XYBUKKNLCPKGNX-UHFFFAOYSA-N 2 2 291.399 0.449 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000672152869 545263494 /nfs/dbraw/zinc/26/34/94/545263494.db2.gz PKNKQYINRFBJLH-AAEUAGOBSA-N 2 2 278.356 0.035 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000672152869 545263495 /nfs/dbraw/zinc/26/34/95/545263495.db2.gz PKNKQYINRFBJLH-AAEUAGOBSA-N 2 2 278.356 0.035 20 0 CCADLP Cn1cc[nH+]c1[C@H](NC(=O)NCC[NH+]1CCC1)C1CC1 ZINC000673146634 545280426 /nfs/dbraw/zinc/28/04/26/545280426.db2.gz IOSZSEUMGRVLEX-GFCCVEGCSA-N 2 2 277.372 0.876 20 0 CCADLP Cc1[nH+]c2ccccc2n1CC(=O)N[C@H](CO)C[NH+](C)C ZINC000673520315 545286580 /nfs/dbraw/zinc/28/65/80/545286580.db2.gz DKSZKFGIOJWJCH-LBPRGKRZSA-N 2 2 290.367 0.383 20 0 CCADLP O=C(N[C@H](CO)C[NH+]1CCCC1)c1ccc2[nH+]ccn2c1 ZINC000673531038 545288229 /nfs/dbraw/zinc/28/82/29/545288229.db2.gz PLRVZYIUIWGKFN-ZDUSSCGKSA-N 2 2 288.351 0.521 20 0 CCADLP CC[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C(=O)NC ZINC000425369564 529188628 /nfs/dbraw/zinc/18/86/28/529188628.db2.gz MJZZRUBIFQVSKU-SNVBAGLBSA-N 2 2 253.350 0.100 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)C2CC[NH+](C)CC2)CCO1 ZINC000428067032 529292293 /nfs/dbraw/zinc/29/22/93/529292293.db2.gz PPZDBWYWZVMNRF-AWEZNQCLSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)C2CC[NH+](C)CC2)CCO1 ZINC000428067032 529292296 /nfs/dbraw/zinc/29/22/96/529292296.db2.gz PPZDBWYWZVMNRF-AWEZNQCLSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H](C(=O)NCC(C)(C)[NH+]1CCOCC1)[NH+](C)C ZINC000674243375 545300912 /nfs/dbraw/zinc/30/09/12/545300912.db2.gz HOTQJFCQGMUOGO-NSHDSACASA-N 2 2 257.378 0.164 20 0 CCADLP C[C@@H](C(=O)NCc1ccc[nH+]c1N(C)C)[NH+](C)C ZINC000674286474 545302299 /nfs/dbraw/zinc/30/22/99/545302299.db2.gz LSFUCFISRQQSIS-JTQLQIEISA-N 2 2 250.346 0.714 20 0 CCADLP C([C@@H]1CC[N@@H+]([C@H]2CCCOC2)C1)[NH+]1CCOCC1 ZINC000674302228 545303907 /nfs/dbraw/zinc/30/39/07/545303907.db2.gz KOARYENHHOSWFQ-KBPBESRZSA-N 2 2 254.374 0.820 20 0 CCADLP C([C@@H]1CC[N@H+]([C@H]2CCCOC2)C1)[NH+]1CCOCC1 ZINC000674302228 545303908 /nfs/dbraw/zinc/30/39/08/545303908.db2.gz KOARYENHHOSWFQ-KBPBESRZSA-N 2 2 254.374 0.820 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000674882574 545317343 /nfs/dbraw/zinc/31/73/43/545317343.db2.gz RGXRJICSSOIPAL-YCPHGPKFSA-N 3 2 280.460 0.695 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000674882574 545317344 /nfs/dbraw/zinc/31/73/44/545317344.db2.gz RGXRJICSSOIPAL-YCPHGPKFSA-N 3 2 280.460 0.695 20 0 CCADLP CCCC[N@H+](C)CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000345754335 535224508 /nfs/dbraw/zinc/22/45/08/535224508.db2.gz GUTXIWXIXXPGQR-SNVBAGLBSA-N 2 2 263.332 0.832 20 0 CCADLP CCCC[N@@H+](C)CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000345754335 535224514 /nfs/dbraw/zinc/22/45/14/535224514.db2.gz GUTXIWXIXXPGQR-SNVBAGLBSA-N 2 2 263.332 0.832 20 0 CCADLP CCCOCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369275942 535229518 /nfs/dbraw/zinc/22/95/18/535229518.db2.gz DSAWIUMVNVOVKF-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP CCCOCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369275942 535229522 /nfs/dbraw/zinc/22/95/22/535229522.db2.gz DSAWIUMVNVOVKF-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000358594895 535255775 /nfs/dbraw/zinc/25/57/75/535255775.db2.gz QSUAHLXWPGEVHG-GFCCVEGCSA-N 2 2 257.378 0.165 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000358594895 535255777 /nfs/dbraw/zinc/25/57/77/535255777.db2.gz QSUAHLXWPGEVHG-GFCCVEGCSA-N 2 2 257.378 0.165 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357079443 535276714 /nfs/dbraw/zinc/27/67/14/535276714.db2.gz SNOSVOMMNHKEFP-TUAOUCFPSA-N 2 2 282.388 0.150 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357079443 535276715 /nfs/dbraw/zinc/27/67/15/535276715.db2.gz SNOSVOMMNHKEFP-TUAOUCFPSA-N 2 2 282.388 0.150 20 0 CCADLP CCCC[C@H](COC)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000675781842 545331372 /nfs/dbraw/zinc/33/13/72/545331372.db2.gz DJQFCIMFFOZCQA-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP c1nnn(-c2ccccc2)c1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000675895792 545332389 /nfs/dbraw/zinc/33/23/89/545332389.db2.gz TVTFZVBEHHHCJS-BETUJISGSA-N 2 2 269.352 0.919 20 0 CCADLP c1nnn(-c2ccccc2)c1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000675895792 545332390 /nfs/dbraw/zinc/33/23/90/545332390.db2.gz TVTFZVBEHHHCJS-BETUJISGSA-N 2 2 269.352 0.919 20 0 CCADLP C[C@H](NC(=O)c1ccc2[nH+]ccn2c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676287688 545339630 /nfs/dbraw/zinc/33/96/30/545339630.db2.gz WWFZWSINHXIZAA-AAEUAGOBSA-N 2 2 288.351 0.783 20 0 CCADLP C[C@H](NC(=O)c1ccc2[nH+]ccn2c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676287688 545339631 /nfs/dbraw/zinc/33/96/31/545339631.db2.gz WWFZWSINHXIZAA-AAEUAGOBSA-N 2 2 288.351 0.783 20 0 CCADLP CC[NH+](CC)CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000368890007 535537820 /nfs/dbraw/zinc/53/78/20/535537820.db2.gz SLYYZLJZTDSENI-GFCCVEGCSA-N 2 2 264.373 0.904 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)[C@@H]1C[NH+](C)CCO1 ZINC000676347516 545342450 /nfs/dbraw/zinc/34/24/50/545342450.db2.gz LFQFSQYQHFPQQD-XQQFMLRXSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)[C@@H]1C[NH+](C)CCO1 ZINC000676347516 545342451 /nfs/dbraw/zinc/34/24/51/545342451.db2.gz LFQFSQYQHFPQQD-XQQFMLRXSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCCC[NH+]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000676347516 545342452 /nfs/dbraw/zinc/34/24/52/545342452.db2.gz LFQFSQYQHFPQQD-XQQFMLRXSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCCC[NH+]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676347516 545342453 /nfs/dbraw/zinc/34/24/53/545342453.db2.gz LFQFSQYQHFPQQD-XQQFMLRXSA-N 2 2 269.389 0.306 20 0 CCADLP CCOC(=O)CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000360893297 535610870 /nfs/dbraw/zinc/61/08/70/535610870.db2.gz BZIWDYLAMHRXFB-UHFFFAOYSA-N 2 2 285.388 0.082 20 0 CCADLP O=S1(=O)CCCN1CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000676558233 545346128 /nfs/dbraw/zinc/34/61/28/545346128.db2.gz IAUJOWXBROOWQP-ZDUSSCGKSA-N 2 2 298.412 0.556 20 0 CCADLP O=S1(=O)CCCN1CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000676558233 545346129 /nfs/dbraw/zinc/34/61/29/545346129.db2.gz IAUJOWXBROOWQP-ZDUSSCGKSA-N 2 2 298.412 0.556 20 0 CCADLP CC[NH+](CC)CCC[N@H+](C)CCN1CCCS1(=O)=O ZINC000676630295 545347519 /nfs/dbraw/zinc/34/75/19/545347519.db2.gz JCLPITWHUUDMSW-UHFFFAOYSA-N 2 2 291.461 0.686 20 0 CCADLP CC[NH+](CC)CCC[N@@H+](C)CCN1CCCS1(=O)=O ZINC000676630295 545347520 /nfs/dbraw/zinc/34/75/20/545347520.db2.gz JCLPITWHUUDMSW-UHFFFAOYSA-N 2 2 291.461 0.686 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)[C@@H]1C[N@H+](C)CCO1 ZINC000676701490 545349487 /nfs/dbraw/zinc/34/94/87/545349487.db2.gz IALDZYZSGQSLFW-AVGNSLFASA-N 2 2 292.383 0.281 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676701490 545349488 /nfs/dbraw/zinc/34/94/88/545349488.db2.gz IALDZYZSGQSLFW-AVGNSLFASA-N 2 2 292.383 0.281 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000677059684 545357403 /nfs/dbraw/zinc/35/74/03/545357403.db2.gz BGEHTECWRADMJM-STQMWFEESA-N 2 2 274.368 0.728 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000677059684 545357404 /nfs/dbraw/zinc/35/74/04/545357404.db2.gz BGEHTECWRADMJM-STQMWFEESA-N 2 2 274.368 0.728 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@@H](C)[NH+]2CCSCC2)C[C@@H]1C ZINC000677181560 545360034 /nfs/dbraw/zinc/36/00/34/545360034.db2.gz ATZNZACXPLBURH-QWHCGFSZSA-N 2 2 285.457 0.976 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@@H](C)[NH+]2CCSCC2)C[C@@H]1C ZINC000677181560 545360035 /nfs/dbraw/zinc/36/00/35/545360035.db2.gz ATZNZACXPLBURH-QWHCGFSZSA-N 2 2 285.457 0.976 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1)C(=O)OC ZINC000252784882 535961893 /nfs/dbraw/zinc/96/18/93/535961893.db2.gz OUZKFWPVRVLHAG-FMSGJZPZSA-N 2 2 299.415 0.359 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1)C(=O)OC ZINC000252784882 535961901 /nfs/dbraw/zinc/96/19/01/535961901.db2.gz OUZKFWPVRVLHAG-FMSGJZPZSA-N 2 2 299.415 0.359 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000343312991 535965834 /nfs/dbraw/zinc/96/58/34/535965834.db2.gz FTMFRUHVHJODHS-KFWWJZLASA-N 2 2 267.417 0.733 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000343312991 535965841 /nfs/dbraw/zinc/96/58/41/535965841.db2.gz FTMFRUHVHJODHS-KFWWJZLASA-N 2 2 267.417 0.733 20 0 CCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CSC1 ZINC000679625658 545412449 /nfs/dbraw/zinc/41/24/49/545412449.db2.gz JJJGLERHOPHKAY-LBPRGKRZSA-N 2 2 271.430 0.634 20 0 CCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C1CSC1 ZINC000679625658 545412450 /nfs/dbraw/zinc/41/24/50/545412450.db2.gz JJJGLERHOPHKAY-LBPRGKRZSA-N 2 2 271.430 0.634 20 0 CCADLP COC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000263108282 536658012 /nfs/dbraw/zinc/65/80/12/536658012.db2.gz DFQMZLIKPZQDNN-OAHLLOKOSA-N 2 2 291.395 0.613 20 0 CCADLP COCC[C@@H](C)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362835969 536768201 /nfs/dbraw/zinc/76/82/01/536768201.db2.gz CETANDNHSUNEFZ-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP COCC[C@@H](C)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362835969 536768204 /nfs/dbraw/zinc/76/82/04/536768204.db2.gz CETANDNHSUNEFZ-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP COc1ccc(CNC(=O)C[NH2+]CC2([NH3+])CCC2)cc1 ZINC000342150141 536872593 /nfs/dbraw/zinc/87/25/93/536872593.db2.gz WYFQZDAKUTWHCO-UHFFFAOYSA-N 2 2 277.368 0.782 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)[C@H]1C[N@H+](C)CCO1 ZINC000682513768 545481458 /nfs/dbraw/zinc/48/14/58/545481458.db2.gz CCADEUPJRPGBEY-RWMBFGLXSA-N 2 2 292.383 0.281 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)[C@H]1C[N@@H+](C)CCO1 ZINC000682513768 545481459 /nfs/dbraw/zinc/48/14/59/545481459.db2.gz CCADEUPJRPGBEY-RWMBFGLXSA-N 2 2 292.383 0.281 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NCC1([NH+]2CCOCC2)CC1 ZINC000683400665 545518543 /nfs/dbraw/zinc/51/85/43/545518543.db2.gz SQAFUNJTFXLAJJ-UHFFFAOYSA-N 2 2 292.383 0.644 20 0 CCADLP Cc1csc(=O)n1CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000683895381 545577806 /nfs/dbraw/zinc/57/78/06/545577806.db2.gz QSCAVQGLRNMIDC-UHFFFAOYSA-N 2 2 293.396 0.764 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+](CC(N)=O)C1CCCC1)C1CC1 ZINC000685562626 545835276 /nfs/dbraw/zinc/83/52/76/545835276.db2.gz ZBUWRGILRYWDSV-ZDUSSCGKSA-N 2 2 269.389 0.171 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000778309035 581150637 /nfs/dbraw/zinc/15/06/37/581150637.db2.gz QBUSQYZKNCOTHV-LLVKDONJSA-N 2 2 278.343 0.535 20 0 CCADLP C[C@@H](CCO)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000779340755 581181604 /nfs/dbraw/zinc/18/16/04/581181604.db2.gz CVHSJLQZHYTIGF-XJKSGUPXSA-N 2 2 278.396 0.766 20 0 CCADLP C[C@@H](CCO)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000779340755 581181606 /nfs/dbraw/zinc/18/16/06/581181606.db2.gz CVHSJLQZHYTIGF-XJKSGUPXSA-N 2 2 278.396 0.766 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CCC(=O)NC1=O ZINC000779477205 581187550 /nfs/dbraw/zinc/18/75/50/581187550.db2.gz YSVDIEGKAFIULU-JTQLQIEISA-N 2 2 250.302 0.010 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCC(=O)NC1=O ZINC000779477205 581187554 /nfs/dbraw/zinc/18/75/54/581187554.db2.gz YSVDIEGKAFIULU-JTQLQIEISA-N 2 2 250.302 0.010 20 0 CCADLP CC(C)[N@H+](C)CCNC(=S)NCC[NH+]1CCOCC1 ZINC000726131353 581231032 /nfs/dbraw/zinc/23/10/32/581231032.db2.gz XQNKMAKMNBNLJJ-UHFFFAOYSA-N 2 2 288.461 0.123 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=S)NCC[NH+]1CCOCC1 ZINC000726131353 581231034 /nfs/dbraw/zinc/23/10/34/581231034.db2.gz XQNKMAKMNBNLJJ-UHFFFAOYSA-N 2 2 288.461 0.123 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)OC(=O)CCc1ccc(N)[nH+]c1 ZINC000782297078 581296256 /nfs/dbraw/zinc/29/62/56/581296256.db2.gz DREAOKLXOHVXHP-GFCCVEGCSA-N 2 2 293.367 0.860 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC[N@@H+]1C ZINC000793572380 581303780 /nfs/dbraw/zinc/30/37/80/581303780.db2.gz KBYWGYCEOGADEG-HIFRSBDPSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC[N@H+]1C ZINC000793572380 581303782 /nfs/dbraw/zinc/30/37/82/581303782.db2.gz KBYWGYCEOGADEG-HIFRSBDPSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC[NH+]1C ZINC000793572380 581303783 /nfs/dbraw/zinc/30/37/83/581303783.db2.gz KBYWGYCEOGADEG-HIFRSBDPSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC[NH+]1C ZINC000793572380 581303784 /nfs/dbraw/zinc/30/37/84/581303784.db2.gz KBYWGYCEOGADEG-HIFRSBDPSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@H]1CC(=O)N(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000793765884 581312055 /nfs/dbraw/zinc/31/20/55/581312055.db2.gz KJCJBKZRWFYOFN-JSGCOSHPSA-N 2 2 251.374 0.840 20 0 CCADLP C[C@H]1CC(=O)N(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000793765884 581312059 /nfs/dbraw/zinc/31/20/59/581312059.db2.gz KJCJBKZRWFYOFN-JSGCOSHPSA-N 2 2 251.374 0.840 20 0 CCADLP C[C@H]1CC(=O)N(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)C1 ZINC000793765884 581312063 /nfs/dbraw/zinc/31/20/63/581312063.db2.gz KJCJBKZRWFYOFN-JSGCOSHPSA-N 2 2 251.374 0.840 20 0 CCADLP C[C@H]1CC(=O)N(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)C1 ZINC000793765884 581312067 /nfs/dbraw/zinc/31/20/67/581312067.db2.gz KJCJBKZRWFYOFN-JSGCOSHPSA-N 2 2 251.374 0.840 20 0 CCADLP C[C@@H]1CC[C@H]1[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000783252906 581342083 /nfs/dbraw/zinc/34/20/83/581342083.db2.gz WXTVFHCHDBNOER-HZSPNIEDSA-N 2 2 281.400 0.308 20 0 CCADLP NC(=O)C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1CCCC1 ZINC000728734096 581368735 /nfs/dbraw/zinc/36/87/35/581368735.db2.gz YGTOVAAGEXVUAA-ZDUSSCGKSA-N 2 2 269.389 0.173 20 0 CCADLP NC(=O)C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1CCCC1 ZINC000728734096 581368740 /nfs/dbraw/zinc/36/87/40/581368740.db2.gz YGTOVAAGEXVUAA-ZDUSSCGKSA-N 2 2 269.389 0.173 20 0 CCADLP Cc1nc(F)ccc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000785513060 581411097 /nfs/dbraw/zinc/41/10/97/581411097.db2.gz FODWMELIVZLUKP-CYBMUJFWSA-N 2 2 253.321 0.685 20 0 CCADLP Cc1nc(F)ccc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000785513060 581411099 /nfs/dbraw/zinc/41/10/99/581411099.db2.gz FODWMELIVZLUKP-CYBMUJFWSA-N 2 2 253.321 0.685 20 0 CCADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H](O)CO)CC2)cc1 ZINC000785984010 581426142 /nfs/dbraw/zinc/42/61/42/581426142.db2.gz BKIRHECORWSAPA-MRXNPFEDSA-N 2 2 293.411 0.664 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@]2(CCCOC2)O1 ZINC000796611578 581446407 /nfs/dbraw/zinc/44/64/07/581446407.db2.gz KIUAWEVGWUJHNF-PMPSAXMXSA-N 2 2 298.427 0.713 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@]2(CCCOC2)O1 ZINC000796611578 581446408 /nfs/dbraw/zinc/44/64/08/581446408.db2.gz KIUAWEVGWUJHNF-PMPSAXMXSA-N 2 2 298.427 0.713 20 0 CCADLP OC[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C[C@H]1O ZINC000787997968 581484561 /nfs/dbraw/zinc/48/45/61/581484561.db2.gz VHBZXXWRXOOYPR-UONOGXRCSA-N 2 2 288.351 0.442 20 0 CCADLP OC[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C[C@H]1O ZINC000787997968 581484562 /nfs/dbraw/zinc/48/45/62/581484562.db2.gz VHBZXXWRXOOYPR-UONOGXRCSA-N 2 2 288.351 0.442 20 0 CCADLP Cc1cc(N2CC[NH+](Cc3cnn(C)c3)CC2)nc(N)[nH+]1 ZINC000729920148 581621053 /nfs/dbraw/zinc/62/10/53/581621053.db2.gz HEIOPMNSDXVPAI-UHFFFAOYSA-N 2 2 287.371 0.423 20 0 CCADLP COC(=O)C[C@@]1([NH2+]CCCn2cc[nH+]c2)CCCOC1 ZINC000770703687 581763004 /nfs/dbraw/zinc/76/30/04/581763004.db2.gz ZCJNEQFCMPEDAZ-AWEZNQCLSA-N 2 2 281.356 0.975 20 0 CCADLP O=C1CCCN1[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000732413020 581826638 /nfs/dbraw/zinc/82/66/38/581826638.db2.gz OJQRHOZUWSZLMA-GJZGRUSLSA-N 2 2 295.427 0.530 20 0 CCADLP O=C1CCCN1[C@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000732413020 581826639 /nfs/dbraw/zinc/82/66/39/581826639.db2.gz OJQRHOZUWSZLMA-GJZGRUSLSA-N 2 2 295.427 0.530 20 0 CCADLP C[C@H]1CN(C(=O)C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)CCO1 ZINC000759968801 581834122 /nfs/dbraw/zinc/83/41/22/581834122.db2.gz ZATPNHWZJQAXRG-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@H]1CN(C(=O)C[N@H+]2CCC[C@H]([NH+](C)C)CC2)CCO1 ZINC000759968801 581834123 /nfs/dbraw/zinc/83/41/23/581834123.db2.gz ZATPNHWZJQAXRG-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CCOC(=O)/C=C/C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000756093534 581836190 /nfs/dbraw/zinc/83/61/90/581836190.db2.gz NSXCSOOMEYYWGF-XGACYXMMSA-N 2 2 282.384 0.760 20 0 CCADLP CCOC(=O)/C=C/C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000756093534 581836191 /nfs/dbraw/zinc/83/61/91/581836191.db2.gz NSXCSOOMEYYWGF-XGACYXMMSA-N 2 2 282.384 0.760 20 0 CCADLP Cc1[nH+]ccn1CCCN(C)C(=O)CC[NH+]1CCOCC1 ZINC000747476446 581942481 /nfs/dbraw/zinc/94/24/81/581942481.db2.gz TWVRHGZRISKTIO-UHFFFAOYSA-N 2 2 294.399 0.762 20 0 CCADLP COC(=O)/C(C)=C/C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000748817694 581988739 /nfs/dbraw/zinc/98/87/39/581988739.db2.gz QLHBBAIJOCDTBN-HVJNQHDOSA-N 2 2 295.427 0.818 20 0 CCADLP COC(=O)/C(C)=C/C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000748817694 581988741 /nfs/dbraw/zinc/98/87/41/581988741.db2.gz QLHBBAIJOCDTBN-HVJNQHDOSA-N 2 2 295.427 0.818 20 0 CCADLP CON(C)C(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000774689949 581988861 /nfs/dbraw/zinc/98/88/61/581988861.db2.gz AZRRVCQZZNCQOV-NWDGAFQWSA-N 2 2 266.345 0.786 20 0 CCADLP CON(C)C(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000774689949 581988862 /nfs/dbraw/zinc/98/88/62/581988862.db2.gz AZRRVCQZZNCQOV-NWDGAFQWSA-N 2 2 266.345 0.786 20 0 CCADLP COc1ccc(C[N@H+](CCO)C2CC[NH+](C)CC2)nc1 ZINC000775972102 582047555 /nfs/dbraw/zinc/04/75/55/582047555.db2.gz MPMZWKMOEOGUGM-UHFFFAOYSA-N 2 2 279.384 0.979 20 0 CCADLP COc1ccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)nc1 ZINC000775972102 582047557 /nfs/dbraw/zinc/04/75/57/582047557.db2.gz MPMZWKMOEOGUGM-UHFFFAOYSA-N 2 2 279.384 0.979 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)CC[NH+]1CCOCC1 ZINC000751338851 582076261 /nfs/dbraw/zinc/07/62/61/582076261.db2.gz YMHZGTJTQCZFRM-GFCCVEGCSA-N 2 2 266.345 0.110 20 0 CCADLP CCCNC(=S)NCC[N@H+](C)CCC[NH+](C)C ZINC000849279680 614877583 /nfs/dbraw/zinc/87/75/83/614877583.db2.gz DXTPEXZWJRIYIA-UHFFFAOYSA-N 2 2 260.451 0.744 20 0 CCADLP CCCNC(=S)NCC[N@@H+](C)CCC[NH+](C)C ZINC000849279680 614877585 /nfs/dbraw/zinc/87/75/85/614877585.db2.gz DXTPEXZWJRIYIA-UHFFFAOYSA-N 2 2 260.451 0.744 20 0 CCADLP C[C@@H]([NH3+])CN(C)C(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000877104222 617174798 /nfs/dbraw/zinc/17/47/98/617174798.db2.gz FORMCXOCDAMKFT-HQJQHLMTSA-N 2 2 257.284 0.770 20 0 CCADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+]C1CCN(C=O)CC1 ZINC000902434205 634383789 /nfs/dbraw/zinc/38/37/89/634383789.db2.gz MJKHHGMOKDMRTO-HUUCEWRRSA-N 2 2 259.353 0.822 20 0 CCADLP CC(C)[C@@H](CNC(=[NH2+])N1CCC1)[NH+]1CCN(C)CC1 ZINC000848984009 614095128 /nfs/dbraw/zinc/09/51/28/614095128.db2.gz CITKMCOZTZWMBP-CYBMUJFWSA-N 2 2 267.421 0.488 20 0 CCADLP COc1cccc(OC)c1OC[C@@H](O)C[N@H+](C)C[C@H](C)[NH3+] ZINC000923411879 617306165 /nfs/dbraw/zinc/30/61/65/617306165.db2.gz UUQNKVWYYMKEES-RYUDHWBXSA-N 2 2 298.383 0.723 20 0 CCADLP COc1cccc(OC)c1OC[C@@H](O)C[N@@H+](C)C[C@H](C)[NH3+] ZINC000923411879 617306166 /nfs/dbraw/zinc/30/61/66/617306166.db2.gz UUQNKVWYYMKEES-RYUDHWBXSA-N 2 2 298.383 0.723 20 0 CCADLP COc1ccccc1[C@@H]([NH3+])CNC(=O)C[C@@H]([NH3+])C(F)F ZINC000911663177 617317498 /nfs/dbraw/zinc/31/74/98/617317498.db2.gz CCNIIFPRMYEQRX-ZJUUUORDSA-N 2 2 287.310 0.794 20 0 CCADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000877433977 613209752 /nfs/dbraw/zinc/20/97/52/613209752.db2.gz LBSSTXHCMJMUNB-BJVUIWQCSA-N 2 2 295.427 0.625 20 0 CCADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000877433977 613209755 /nfs/dbraw/zinc/20/97/55/613209755.db2.gz LBSSTXHCMJMUNB-BJVUIWQCSA-N 2 2 295.427 0.625 20 0 CCADLP C([C@@H]1C[C@@H]2COC[C@@H]2O1)[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903872255 613226293 /nfs/dbraw/zinc/22/62/93/613226293.db2.gz XRSGLFXZESTJHE-ZOBORPQBSA-N 2 2 252.358 0.618 20 0 CCADLP C([C@@H]1C[C@@H]2COC[C@@H]2O1)[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903872255 613226296 /nfs/dbraw/zinc/22/62/96/613226296.db2.gz XRSGLFXZESTJHE-ZOBORPQBSA-N 2 2 252.358 0.618 20 0 CCADLP C([C@@H]1C[C@@H]2COC[C@@H]2O1)[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903872251 613226511 /nfs/dbraw/zinc/22/65/11/613226511.db2.gz XRSGLFXZESTJHE-RFGFWPKPSA-N 2 2 252.358 0.618 20 0 CCADLP C([C@@H]1C[C@@H]2COC[C@@H]2O1)[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903872251 613226512 /nfs/dbraw/zinc/22/65/12/613226512.db2.gz XRSGLFXZESTJHE-RFGFWPKPSA-N 2 2 252.358 0.618 20 0 CCADLP C([NH2+][C@H]1C[NH2+]CCOC1)[C@@H]1CCC12CCOCC2 ZINC000925732930 613228993 /nfs/dbraw/zinc/22/89/93/613228993.db2.gz HFJKAKJKSRPEMT-STQMWFEESA-N 2 2 254.374 0.771 20 0 CCADLP C/C(=C/C(=O)N1CCC[C@@H]([NH+](C)C)C1)C[NH+]1CCOCC1 ZINC000900525897 613229665 /nfs/dbraw/zinc/22/96/65/613229665.db2.gz AMMOMUZBNQJZPI-QKXCFHHRSA-N 2 2 295.427 0.818 20 0 CCADLP C/C(=C/C(=O)NC[C@@H](C)[N@H+](C)C1CC1)C[NH+]1CCOCC1 ZINC000900542316 613236814 /nfs/dbraw/zinc/23/68/14/613236814.db2.gz MREVNQXIZGLVMF-QLKUMGTLSA-N 2 2 295.427 0.864 20 0 CCADLP C/C(=C/C(=O)NC[C@@H](C)[N@@H+](C)C1CC1)C[NH+]1CCOCC1 ZINC000900542316 613236815 /nfs/dbraw/zinc/23/68/15/613236815.db2.gz MREVNQXIZGLVMF-QLKUMGTLSA-N 2 2 295.427 0.864 20 0 CCADLP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H]3C[NH2+]CCOC3)[C@@H]2C1 ZINC000925668073 613674720 /nfs/dbraw/zinc/67/47/20/613674720.db2.gz GGIATVXLUHHXRY-XQLPTFJDSA-N 2 2 281.400 0.211 20 0 CCADLP CC(C)[NH2+]C1CC[NH+](CCc2nnnn2C)CC1 ZINC000878236172 613944144 /nfs/dbraw/zinc/94/41/44/613944144.db2.gz RRVXAMHVZHLWEV-UHFFFAOYSA-N 2 2 252.366 0.215 20 0 CCADLP CC(C)(C)[NH2+]CCC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000821703889 613953985 /nfs/dbraw/zinc/95/39/85/613953985.db2.gz LUBHQVFQGNMYDW-BETUJISGSA-N 2 2 283.416 0.744 20 0 CCADLP CC(C)(C)[NH2+]CCC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000821703889 613953989 /nfs/dbraw/zinc/95/39/89/613953989.db2.gz LUBHQVFQGNMYDW-BETUJISGSA-N 2 2 283.416 0.744 20 0 CCADLP CC(C)OC(=O)C(C)(C)[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000904473362 613984525 /nfs/dbraw/zinc/98/45/25/613984525.db2.gz RDZYSVSICPLPJH-LBPRGKRZSA-N 2 2 299.415 0.504 20 0 CCADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[NH2+]CCO1 ZINC000043708260 614033729 /nfs/dbraw/zinc/03/37/29/614033729.db2.gz FHTAPXWQLCSRGO-NEPJUHHUSA-N 2 2 280.372 0.402 20 0 CCADLP CC(C)(CNC(=O)C[N@@H+]1C[C@@H]2C[C@@H]2C1)[NH+]1CCOCC1 ZINC000886326627 614095443 /nfs/dbraw/zinc/09/54/43/614095443.db2.gz OSDKSXZHLMHTCT-BETUJISGSA-N 2 2 281.400 0.165 20 0 CCADLP CC(C)(CNC(=O)C[N@H+]1C[C@@H]2C[C@@H]2C1)[NH+]1CCOCC1 ZINC000886326627 614095445 /nfs/dbraw/zinc/09/54/45/614095445.db2.gz OSDKSXZHLMHTCT-BETUJISGSA-N 2 2 281.400 0.165 20 0 CCADLP CC(C)(CNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000876710428 614104649 /nfs/dbraw/zinc/10/46/49/614104649.db2.gz KKGQZALPAXLBKY-NEPJUHHUSA-N 2 2 287.379 0.161 20 0 CCADLP CC(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962293200 614129475 /nfs/dbraw/zinc/12/94/75/614129475.db2.gz OBPZGYQNZWPNJS-NHAGDIPZSA-N 2 2 276.384 0.665 20 0 CCADLP CC(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962293200 614129477 /nfs/dbraw/zinc/12/94/77/614129477.db2.gz OBPZGYQNZWPNJS-NHAGDIPZSA-N 2 2 276.384 0.665 20 0 CCADLP CC(C)[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903730482 614153002 /nfs/dbraw/zinc/15/30/02/614153002.db2.gz WRQYSIMUVGLGDJ-CHWSQXEVSA-N 2 2 253.390 0.833 20 0 CCADLP CC(C)[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903730482 614153005 /nfs/dbraw/zinc/15/30/05/614153005.db2.gz WRQYSIMUVGLGDJ-CHWSQXEVSA-N 2 2 253.390 0.833 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876533399 614214789 /nfs/dbraw/zinc/21/47/89/614214789.db2.gz ROAVOYOBXRWLPV-ITDFMYJTSA-N 2 2 269.389 0.364 20 0 CCADLP CC(C)C[C@H](CNC(=O)/C=C/C[NH+]1CCOCC1)[NH+](C)C ZINC000865786667 614215331 /nfs/dbraw/zinc/21/53/31/614215331.db2.gz QXFYRCKEUYVFBP-LLYBFZRZSA-N 2 2 297.443 0.967 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000864595075 614325816 /nfs/dbraw/zinc/32/58/16/614325816.db2.gz JEBZZPHPOHPYOX-ARJAWSKDSA-N 2 2 295.427 0.864 20 0 CCADLP CC1CC[NH+](Cc2nc(N3CC[NH2+]CC3)no2)CC1 ZINC000823304361 614439893 /nfs/dbraw/zinc/43/98/93/614439893.db2.gz UDOMVFXDVVHENS-UHFFFAOYSA-N 2 2 265.361 0.711 20 0 CCADLP CCCn1cc([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)nn1 ZINC000902795301 614539385 /nfs/dbraw/zinc/53/93/85/614539385.db2.gz CVOYXUQCDACNQB-ZIAGYGMSSA-N 2 2 294.447 0.975 20 0 CCADLP CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1C[NH+](CCO)C1 ZINC000951383129 614677536 /nfs/dbraw/zinc/67/75/36/614677536.db2.gz NNDJVFCBBNOINC-STQMWFEESA-N 2 2 283.416 0.242 20 0 CCADLP CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1C[NH+](CCO)C1 ZINC000951383129 614677540 /nfs/dbraw/zinc/67/75/40/614677540.db2.gz NNDJVFCBBNOINC-STQMWFEESA-N 2 2 283.416 0.242 20 0 CCADLP CCC[NH+]1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000208454667 614684337 /nfs/dbraw/zinc/68/43/37/614684337.db2.gz LYPURRTVDNXOIY-UHFFFAOYSA-N 2 2 269.389 0.263 20 0 CCADLP CCC[NH+]1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000949433803 614685638 /nfs/dbraw/zinc/68/56/38/614685638.db2.gz HDMPUCCBNSACKV-UHFFFAOYSA-N 2 2 264.373 0.907 20 0 CCADLP CC1(C)CNC(=O)[C@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000925233056 614697183 /nfs/dbraw/zinc/69/71/83/614697183.db2.gz QUOSDOIRKDZMLD-GFCCVEGCSA-N 2 2 262.357 0.998 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)/C=C(\C)C[NH+]2CCOCC2)C1 ZINC000912683257 614744803 /nfs/dbraw/zinc/74/48/03/614744803.db2.gz HNTPZLSMENWTMQ-GOFCXVBSSA-N 2 2 295.427 0.865 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)/C=C(\C)C[NH+]2CCOCC2)C1 ZINC000912683257 614744805 /nfs/dbraw/zinc/74/48/05/614744805.db2.gz HNTPZLSMENWTMQ-GOFCXVBSSA-N 2 2 295.427 0.865 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2CCO[C@H](C)C2)C1 ZINC000853607738 614753134 /nfs/dbraw/zinc/75/31/34/614753134.db2.gz UMJTYGTVCUTMET-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)NCC[NH+]2CCO[C@H](C)C2)C1 ZINC000853607738 614753138 /nfs/dbraw/zinc/75/31/38/614753138.db2.gz UMJTYGTVCUTMET-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[NH+]1CC[C@H](NC(=O)NCC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000853607738 614753139 /nfs/dbraw/zinc/75/31/39/614753139.db2.gz UMJTYGTVCUTMET-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[NH+]1CC[C@H](NC(=O)NCC[N@H+]2CCO[C@H](C)C2)C1 ZINC000853607738 614753143 /nfs/dbraw/zinc/75/31/43/614753143.db2.gz UMJTYGTVCUTMET-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CC1(C)C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C[C@@H]([NH3+])C1 ZINC000925724201 614774918 /nfs/dbraw/zinc/77/49/18/614774918.db2.gz XBUHSCMELFOYOG-RDBSUJKOSA-N 3 2 296.459 0.822 20 0 CCADLP CC1(C)C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C[C@@H]([NH3+])C1 ZINC000925724201 614774922 /nfs/dbraw/zinc/77/49/22/614774922.db2.gz XBUHSCMELFOYOG-RDBSUJKOSA-N 3 2 296.459 0.822 20 0 CCADLP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2nnc3n2CCNC3=O)C1 ZINC000925765973 614777569 /nfs/dbraw/zinc/77/75/69/614777569.db2.gz NTAKSCWVWCONCI-VHSXEESVSA-N 2 2 292.387 0.017 20 0 CCADLP CC1(C)NC(=O)N(CCC[N@@H+]2CC[C@@H]3CC[C@@]32C[NH3+])C1=O ZINC000903853833 614803728 /nfs/dbraw/zinc/80/37/28/614803728.db2.gz HCLAICIDBIVVDL-XHDPSFHLSA-N 2 2 294.399 0.520 20 0 CCADLP CC1(C)NC(=O)N(CCC[N@H+]2CC[C@@H]3CC[C@@]32C[NH3+])C1=O ZINC000903853833 614803729 /nfs/dbraw/zinc/80/37/29/614803729.db2.gz HCLAICIDBIVVDL-XHDPSFHLSA-N 2 2 294.399 0.520 20 0 CCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]CCNC(=O)c1ccco1 ZINC000925516075 614807431 /nfs/dbraw/zinc/80/74/31/614807431.db2.gz GVOCHVFWMMTTIR-NSHDSACASA-N 2 2 251.330 0.740 20 0 CCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925850168 614808684 /nfs/dbraw/zinc/80/86/84/614808684.db2.gz UFIVANCZMRSGGC-VXGBXAGGSA-N 3 2 281.400 0.402 20 0 CCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1ccnc(-n2cncn2)c1 ZINC000925726805 614808753 /nfs/dbraw/zinc/80/87/53/614808753.db2.gz WGTJAHMPSLPLAY-GFCCVEGCSA-N 2 2 272.356 0.892 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)NCC(C)C)CC1 ZINC000846764236 614849959 /nfs/dbraw/zinc/84/99/59/614849959.db2.gz FHQOVXIRNQOTIO-OAHLLOKOSA-N 2 2 299.459 0.783 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)NCC(C)C)CC1 ZINC000846764236 614849960 /nfs/dbraw/zinc/84/99/60/614849960.db2.gz FHQOVXIRNQOTIO-OAHLLOKOSA-N 2 2 299.459 0.783 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2ccn(C)n2)C1 ZINC000932129472 614851418 /nfs/dbraw/zinc/85/14/18/614851418.db2.gz BQXVZRBXCNWMDT-ZIAGYGMSSA-N 2 2 280.416 0.912 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2ccn(C)n2)C1 ZINC000932129472 614851419 /nfs/dbraw/zinc/85/14/19/614851419.db2.gz BQXVZRBXCNWMDT-ZIAGYGMSSA-N 2 2 280.416 0.912 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](c2ccn(C)n2)C1 ZINC000932129472 614851421 /nfs/dbraw/zinc/85/14/21/614851421.db2.gz BQXVZRBXCNWMDT-ZIAGYGMSSA-N 2 2 280.416 0.912 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](c2ccn(C)n2)C1 ZINC000932129472 614851422 /nfs/dbraw/zinc/85/14/22/614851422.db2.gz BQXVZRBXCNWMDT-ZIAGYGMSSA-N 2 2 280.416 0.912 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCOC[C@@H]1OC ZINC000880437469 614866223 /nfs/dbraw/zinc/86/62/23/614866223.db2.gz LLXLRGRNOZJILI-AVGNSLFASA-N 2 2 260.378 0.035 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCOC[C@@H]1OC ZINC000880437469 614866225 /nfs/dbraw/zinc/86/62/25/614866225.db2.gz LLXLRGRNOZJILI-AVGNSLFASA-N 2 2 260.378 0.035 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CCOC[C@@H]1OC ZINC000880437469 614866227 /nfs/dbraw/zinc/86/62/27/614866227.db2.gz LLXLRGRNOZJILI-AVGNSLFASA-N 2 2 260.378 0.035 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CCOC[C@@H]1OC ZINC000880437469 614866229 /nfs/dbraw/zinc/86/62/29/614866229.db2.gz LLXLRGRNOZJILI-AVGNSLFASA-N 2 2 260.378 0.035 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(c2ccn(C)n2)CC1 ZINC000932142033 614866388 /nfs/dbraw/zinc/86/63/88/614866388.db2.gz IGECVZLMQSPMNI-AWEZNQCLSA-N 2 2 280.416 0.912 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2ccn(C)n2)CC1 ZINC000932142033 614866390 /nfs/dbraw/zinc/86/63/90/614866390.db2.gz IGECVZLMQSPMNI-AWEZNQCLSA-N 2 2 280.416 0.912 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000846814514 614866480 /nfs/dbraw/zinc/86/64/80/614866480.db2.gz RQCNUYDQACKJFM-LBPRGKRZSA-N 2 2 267.377 0.297 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000846814514 614866481 /nfs/dbraw/zinc/86/64/81/614866481.db2.gz RQCNUYDQACKJFM-LBPRGKRZSA-N 2 2 267.377 0.297 20 0 CCADLP CCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC000970768267 614895150 /nfs/dbraw/zinc/89/51/50/614895150.db2.gz WMPLTOJLEIYJHH-HUUCEWRRSA-N 2 2 295.427 0.698 20 0 CCADLP CC1(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)OCCO1 ZINC000817916529 614904575 /nfs/dbraw/zinc/90/45/75/614904575.db2.gz GZWGNQLQMXAWOY-RYUDHWBXSA-N 2 2 256.346 0.106 20 0 CCADLP CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000971817475 614909914 /nfs/dbraw/zinc/90/99/14/614909914.db2.gz GVJCAGWXGJQBCK-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000971817475 614909916 /nfs/dbraw/zinc/90/99/16/614909916.db2.gz GVJCAGWXGJQBCK-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP CC[NH+](CC)CCN(CCOC)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865179264 614993765 /nfs/dbraw/zinc/99/37/65/614993765.db2.gz BHAQLAXJKMSHOU-ZDUSSCGKSA-N 2 2 298.387 0.260 20 0 CCADLP CC[NH+](CC)[C@@H](C)CN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000925281496 615008329 /nfs/dbraw/zinc/00/83/29/615008329.db2.gz FTVZQFJCGJCAJR-JQWIXIFHSA-N 2 2 293.371 0.603 20 0 CCADLP CC[NH+](CC)[C@@H](C)CN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000925281496 615008332 /nfs/dbraw/zinc/00/83/32/615008332.db2.gz FTVZQFJCGJCAJR-JQWIXIFHSA-N 2 2 293.371 0.603 20 0 CCADLP CC[N@H+](CC[NH3+])C[C@H](O)COc1ccc(F)cc1 ZINC000923400488 615047131 /nfs/dbraw/zinc/04/71/31/615047131.db2.gz BKFBSRPPBTUCFN-LBPRGKRZSA-N 2 2 256.321 0.846 20 0 CCADLP CC[N@@H+](CC[NH3+])C[C@H](O)COc1ccc(F)cc1 ZINC000923400488 615047133 /nfs/dbraw/zinc/04/71/33/615047133.db2.gz BKFBSRPPBTUCFN-LBPRGKRZSA-N 2 2 256.321 0.846 20 0 CCADLP CC[NH2+]CC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000844167705 615078789 /nfs/dbraw/zinc/07/87/89/615078789.db2.gz FCGXDYITMBRKRC-GFCCVEGCSA-N 2 2 257.378 0.069 20 0 CCADLP CC[NH2+]CC1CC(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000962597346 615080551 /nfs/dbraw/zinc/08/05/51/615080551.db2.gz IJKRRFTVGLRRMN-UHFFFAOYSA-N 2 2 250.346 0.765 20 0 CCADLP CC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000981417486 615113424 /nfs/dbraw/zinc/11/34/24/615113424.db2.gz LMGABYSNAZTPGW-GHMZBOCLSA-N 2 2 250.346 0.989 20 0 CCADLP CC[N@@H+]1CCCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000981668273 615117176 /nfs/dbraw/zinc/11/71/76/615117176.db2.gz JJPNBEGHDMBLCQ-UHFFFAOYSA-N 2 2 264.373 0.907 20 0 CCADLP CC[N@H+]1CCCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000981668273 615117177 /nfs/dbraw/zinc/11/71/77/615117177.db2.gz JJPNBEGHDMBLCQ-UHFFFAOYSA-N 2 2 264.373 0.907 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)N2CCn3cc[nH+]c32)CC1 ZINC000931526266 615152286 /nfs/dbraw/zinc/15/22/86/615152286.db2.gz IQVRQZPJJOXSBP-LBPRGKRZSA-N 2 2 277.372 0.256 20 0 CCADLP CC[NH+]1[C@H](C)CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@@H]1C ZINC000880608876 615169875 /nfs/dbraw/zinc/16/98/75/615169875.db2.gz MVUJPTZQLWHXRP-HZSPNIEDSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1[C@H](C)CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@@H]1C ZINC000880608876 615169876 /nfs/dbraw/zinc/16/98/76/615169876.db2.gz MVUJPTZQLWHXRP-HZSPNIEDSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H](C)[N@@H+](CC)[C@@H](C)C2)C1 ZINC000880608876 615169877 /nfs/dbraw/zinc/16/98/77/615169877.db2.gz MVUJPTZQLWHXRP-HZSPNIEDSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2C[C@@H](C)[N@H+](CC)[C@@H](C)C2)C1 ZINC000880608876 615169878 /nfs/dbraw/zinc/16/98/78/615169878.db2.gz MVUJPTZQLWHXRP-HZSPNIEDSA-N 2 2 283.416 0.648 20 0 CCADLP CCOC(=O)CCCCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923459133 615172048 /nfs/dbraw/zinc/17/20/48/615172048.db2.gz AGPZHBYSLLXIQA-UHFFFAOYSA-N 2 2 271.405 0.605 20 0 CCADLP CCOC(=O)CNC(=O)C1CC[NH+](C[C@H]2CCC[NH2+]2)CC1 ZINC000903457622 615192744 /nfs/dbraw/zinc/19/27/44/615192744.db2.gz XWQCKCGDBXXARP-CYBMUJFWSA-N 2 2 297.399 0.130 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000922156165 615239933 /nfs/dbraw/zinc/23/99/33/615239933.db2.gz LJJVNXFETNHCPM-QLKUMGTLSA-N 2 2 281.400 0.475 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC000922156165 615239936 /nfs/dbraw/zinc/23/99/36/615239936.db2.gz LJJVNXFETNHCPM-QLKUMGTLSA-N 2 2 281.400 0.475 20 0 CCADLP CCN1CC[C@@H]1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000883356146 615258493 /nfs/dbraw/zinc/25/84/93/615258493.db2.gz HAEBZBCKHRLQIG-HUUCEWRRSA-N 2 2 267.417 0.924 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000943176322 615281193 /nfs/dbraw/zinc/28/11/93/615281193.db2.gz JWVDPLLLOBTWPX-PWSUYJOCSA-N 2 2 250.346 0.799 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000943176322 615281195 /nfs/dbraw/zinc/28/11/95/615281195.db2.gz JWVDPLLLOBTWPX-PWSUYJOCSA-N 2 2 250.346 0.799 20 0 CCADLP CCOCC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880136912 615300260 /nfs/dbraw/zinc/30/02/60/615300260.db2.gz UPEWJGAFGRIJOG-IHRRRGAJSA-N 2 2 256.390 0.942 20 0 CCADLP CCOCC[C@H](O)C[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880136912 615300263 /nfs/dbraw/zinc/30/02/63/615300263.db2.gz UPEWJGAFGRIJOG-IHRRRGAJSA-N 2 2 256.390 0.942 20 0 CCADLP CCOCC[C@H](O)C[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880136912 615300266 /nfs/dbraw/zinc/30/02/66/615300266.db2.gz UPEWJGAFGRIJOG-IHRRRGAJSA-N 2 2 256.390 0.942 20 0 CCADLP CCOCC[C@H](O)C[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880136912 615300269 /nfs/dbraw/zinc/30/02/69/615300269.db2.gz UPEWJGAFGRIJOG-IHRRRGAJSA-N 2 2 256.390 0.942 20 0 CCADLP CCOCC[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923530205 615300625 /nfs/dbraw/zinc/30/06/25/615300625.db2.gz HAGPNQRWJAXTKH-UONOGXRCSA-N 2 2 256.390 0.992 20 0 CCADLP CCOCC[C@H](O)C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923530205 615300627 /nfs/dbraw/zinc/30/06/27/615300627.db2.gz HAGPNQRWJAXTKH-UONOGXRCSA-N 2 2 256.390 0.992 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931277515 615323456 /nfs/dbraw/zinc/32/34/56/615323456.db2.gz QNDMQQPTJXONHF-OBPIAQAESA-N 2 2 252.358 0.677 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931277515 615323459 /nfs/dbraw/zinc/32/34/59/615323459.db2.gz QNDMQQPTJXONHF-OBPIAQAESA-N 2 2 252.358 0.677 20 0 CCADLP CCON(C)C(=O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000846064996 615337909 /nfs/dbraw/zinc/33/79/09/615337909.db2.gz PMBVSKGCPIMXKG-NWDGAFQWSA-N 2 2 255.362 0.613 20 0 CCADLP CCON(C)C(=O)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000846064996 615337912 /nfs/dbraw/zinc/33/79/12/615337912.db2.gz PMBVSKGCPIMXKG-NWDGAFQWSA-N 2 2 255.362 0.613 20 0 CCADLP CCS(=O)(=O)NCCC[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000883459157 615343715 /nfs/dbraw/zinc/34/37/15/615343715.db2.gz LYININVGPAGBJN-UHFFFAOYSA-N 2 2 289.445 0.534 20 0 CCADLP CCS(=O)(=O)NCCC[N@H+]1CC[NH2+]CCC12CCC2 ZINC000883459157 615343716 /nfs/dbraw/zinc/34/37/16/615343716.db2.gz LYININVGPAGBJN-UHFFFAOYSA-N 2 2 289.445 0.534 20 0 CCADLP CCO[C@H](CNC(=O)CCc1c[nH]c[nH+]1)C[NH+](C)C ZINC000831722759 615480613 /nfs/dbraw/zinc/48/06/13/615480613.db2.gz BFFRCAJIHITKME-GFCCVEGCSA-N 2 2 268.361 0.425 20 0 CCADLP CCO[C@H](CNC(=O)CCc1c[nH+]c[nH]1)C[NH+](C)C ZINC000831722759 615480614 /nfs/dbraw/zinc/48/06/14/615480614.db2.gz BFFRCAJIHITKME-GFCCVEGCSA-N 2 2 268.361 0.425 20 0 CCADLP CCO[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C[NH+](C)C ZINC000831730731 615482853 /nfs/dbraw/zinc/48/28/53/615482853.db2.gz HMWUSKDCVNQJDT-TZMCWYRMSA-N 2 2 294.399 0.528 20 0 CCADLP CCS(=O)(=O)CC[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000843388753 615534542 /nfs/dbraw/zinc/53/45/42/615534542.db2.gz XFAKXWMFQZSUEY-LBPRGKRZSA-N 2 2 290.429 0.108 20 0 CCADLP CCS(=O)(=O)CC[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000843388753 615534543 /nfs/dbraw/zinc/53/45/43/615534543.db2.gz XFAKXWMFQZSUEY-LBPRGKRZSA-N 2 2 290.429 0.108 20 0 CCADLP CCS(=O)(=O)CC[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000819320503 615539089 /nfs/dbraw/zinc/53/90/89/615539089.db2.gz CIDGBCUZEBGZML-SECBINFHSA-N 2 2 257.359 0.291 20 0 CCADLP CCS(=O)(=O)CC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925476984 615539511 /nfs/dbraw/zinc/53/95/11/615539511.db2.gz KHCPMPFZRZZKEB-WOPDTQHZSA-N 2 2 274.430 0.787 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H](CO)c2c[nH+]cn2C)CC[N@@H+]1C ZINC000898891663 615585019 /nfs/dbraw/zinc/58/50/19/615585019.db2.gz JKQHWHBNJNFOJI-SDDRHHMPSA-N 2 2 280.372 0.300 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H](CO)c2c[nH+]cn2C)CC[N@H+]1C ZINC000898891663 615585020 /nfs/dbraw/zinc/58/50/20/615585020.db2.gz JKQHWHBNJNFOJI-SDDRHHMPSA-N 2 2 280.372 0.300 20 0 CCADLP CC[C@@](O)(C[NH2+]C[C@@H](O)C[NH+]1CCCC1)C(F)(F)F ZINC000905346016 615593422 /nfs/dbraw/zinc/59/34/22/615593422.db2.gz POWQWPZMZCEAPD-GHMZBOCLSA-N 2 2 284.322 0.736 20 0 CCADLP CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ncccn2)C1)[NH+](C)C ZINC000969074723 615602542 /nfs/dbraw/zinc/60/25/42/615602542.db2.gz PUKXVZJOMWFPEK-CHWSQXEVSA-N 2 2 291.399 0.507 20 0 CCADLP CC[C@H](C(N)=O)[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903506516 615621834 /nfs/dbraw/zinc/62/18/34/615621834.db2.gz AGOZXEBEENHWGQ-HZSPNIEDSA-N 2 2 280.416 0.151 20 0 CCADLP CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903506516 615621835 /nfs/dbraw/zinc/62/18/35/615621835.db2.gz AGOZXEBEENHWGQ-HZSPNIEDSA-N 2 2 280.416 0.151 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000928652300 615718637 /nfs/dbraw/zinc/71/86/37/615718637.db2.gz YAAHIBHEBFVCGF-SOUVJXGZSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000928652300 615718638 /nfs/dbraw/zinc/71/86/38/615718638.db2.gz YAAHIBHEBFVCGF-SOUVJXGZSA-N 2 2 297.443 0.944 20 0 CCADLP CN(C(=O)Cc1c[nH+]cn1C)C1CCC([NH2+]CCO)CC1 ZINC000964207974 615827515 /nfs/dbraw/zinc/82/75/15/615827515.db2.gz PRKIYTVSQLGSHJ-UHFFFAOYSA-N 2 2 294.399 0.314 20 0 CCADLP C[NH+](C)C1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000911194222 615855248 /nfs/dbraw/zinc/85/52/48/615855248.db2.gz RJLPTNDGOWTHDC-UHFFFAOYSA-N 2 2 250.346 0.941 20 0 CCADLP CN(CC(C)(C)C[NH+](C)C)C(=O)Cc1[nH]cc[nH+]1 ZINC000890881559 615866675 /nfs/dbraw/zinc/86/66/75/615866675.db2.gz ZFAGNJZJNGEBAM-UHFFFAOYSA-N 2 2 252.362 0.998 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(C)(F)F ZINC000853825004 615878803 /nfs/dbraw/zinc/87/88/03/615878803.db2.gz BYJOFKRXOVEHFU-UHFFFAOYSA-N 2 2 251.321 0.641 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(C)(F)F ZINC000853825004 615878805 /nfs/dbraw/zinc/87/88/05/615878805.db2.gz BYJOFKRXOVEHFU-UHFFFAOYSA-N 2 2 251.321 0.641 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H](O)c1cccnc1 ZINC000855415144 615879262 /nfs/dbraw/zinc/87/92/62/615879262.db2.gz RAJZBYNNCKRNIA-CQSZACIVSA-N 2 2 294.399 0.115 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H](O)c1cccnc1 ZINC000855415144 615879264 /nfs/dbraw/zinc/87/92/64/615879264.db2.gz RAJZBYNNCKRNIA-CQSZACIVSA-N 2 2 294.399 0.115 20 0 CCADLP C[NH+](C)CCn1cc(NC(=O)CNc2cccc[nH+]2)cn1 ZINC000900472955 615916477 /nfs/dbraw/zinc/91/64/77/615916477.db2.gz BEBWVMKYQNURFI-UHFFFAOYSA-N 2 2 288.355 0.890 20 0 CCADLP C[NH+](C)CCn1ccc(NC(=O)Cc2[nH]cc[nH+]2)n1 ZINC000824778327 615918300 /nfs/dbraw/zinc/91/83/00/615918300.db2.gz SEQRXVJHYJQFJM-UHFFFAOYSA-N 2 2 262.317 0.349 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C1CC[NH+](C)CC1 ZINC000874702488 615923360 /nfs/dbraw/zinc/92/33/60/615923360.db2.gz LYEOGGZSBMFSFA-AWEZNQCLSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C1CC[NH+](C)CC1 ZINC000874702488 615923362 /nfs/dbraw/zinc/92/33/62/615923362.db2.gz LYEOGGZSBMFSFA-AWEZNQCLSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000877433733 615926947 /nfs/dbraw/zinc/92/69/47/615926947.db2.gz HYPSRLWYJRGSIM-RYUDHWBXSA-N 2 2 269.389 0.211 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000877433733 615926948 /nfs/dbraw/zinc/92/69/48/615926948.db2.gz HYPSRLWYJRGSIM-RYUDHWBXSA-N 2 2 269.389 0.211 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)c1c[nH+]ccc1N ZINC000877435058 615927626 /nfs/dbraw/zinc/92/76/26/615927626.db2.gz XMVKHLKAZGCGJL-NSHDSACASA-N 2 2 278.356 0.335 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)c1c[nH+]ccc1N ZINC000877435058 615927628 /nfs/dbraw/zinc/92/76/28/615927628.db2.gz XMVKHLKAZGCGJL-NSHDSACASA-N 2 2 278.356 0.335 20 0 CCADLP C[NH+](C)C[C@H]1NC(=O)N(Cc2c[nH+]c3n2CCCC3)C1=O ZINC000925409851 615949325 /nfs/dbraw/zinc/94/93/25/615949325.db2.gz XFXAQVUIXRCVPD-LLVKDONJSA-N 2 2 291.355 0.201 20 0 CCADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H](O)[C@@H]2CCCO2)s1 ZINC000858227584 615958218 /nfs/dbraw/zinc/95/82/18/615958218.db2.gz WDUYDIGXQAJNTL-NEPJUHHUSA-N 2 2 285.413 0.834 20 0 CCADLP CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903854117 615962751 /nfs/dbraw/zinc/96/27/51/615962751.db2.gz IBBZNIXGFMKKRZ-VXGBXAGGSA-N 2 2 275.418 0.081 20 0 CCADLP CN(C)S(=O)(=O)CCC[N@H+]1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903854117 615962752 /nfs/dbraw/zinc/96/27/52/615962752.db2.gz IBBZNIXGFMKKRZ-VXGBXAGGSA-N 2 2 275.418 0.081 20 0 CCADLP C[NH+](C)[C@@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000799168974 615976543 /nfs/dbraw/zinc/97/65/43/615976543.db2.gz TVUMMLCYEXXRGQ-MNOVXSKESA-N 2 2 253.346 0.208 20 0 CCADLP C[NH+](C)[C@@H]1CCC[N@H+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000799168974 615976544 /nfs/dbraw/zinc/97/65/44/615976544.db2.gz TVUMMLCYEXXRGQ-MNOVXSKESA-N 2 2 253.346 0.208 20 0 CCADLP C[NH+](C)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000834436552 615991612 /nfs/dbraw/zinc/99/16/12/615991612.db2.gz UPFOAVACHSYKOU-NSHDSACASA-N 2 2 250.346 0.895 20 0 CCADLP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000957325800 615992570 /nfs/dbraw/zinc/99/25/70/615992570.db2.gz XSMXSELCDOEITP-KGLIPLIRSA-N 2 2 283.416 0.243 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000898832192 615995846 /nfs/dbraw/zinc/99/58/46/615995846.db2.gz LFNGIJAGURTGSC-STQMWFEESA-N 2 2 276.384 0.952 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCCN3C(=O)NC(C)(C)C3=O)C[C@H]21 ZINC000931282299 615997396 /nfs/dbraw/zinc/99/73/96/615997396.db2.gz OPCWTCLUSPOIKE-GDNZZTSVSA-N 2 2 294.399 0.199 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCCN3C(=O)NC(C)(C)C3=O)C[C@H]21 ZINC000931282299 615997397 /nfs/dbraw/zinc/99/73/97/615997397.db2.gz OPCWTCLUSPOIKE-GDNZZTSVSA-N 2 2 294.399 0.199 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2CN(CCC[NH+]3CCOCC3)C[C@H]21 ZINC000931278840 615998601 /nfs/dbraw/zinc/99/86/01/615998601.db2.gz OQZYDUJEMMBDAJ-WDNDVIMCSA-N 2 2 253.390 0.201 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCCN3CCOCC3)C[C@H]21 ZINC000931278840 615998604 /nfs/dbraw/zinc/99/86/04/615998604.db2.gz OQZYDUJEMMBDAJ-WDNDVIMCSA-N 2 2 253.390 0.201 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCCN3CCOCC3)C[C@H]21 ZINC000931278840 615998607 /nfs/dbraw/zinc/99/86/07/615998607.db2.gz OQZYDUJEMMBDAJ-WDNDVIMCSA-N 2 2 253.390 0.201 20 0 CCADLP CN(C)c1nccc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)n1 ZINC000925632598 616036964 /nfs/dbraw/zinc/03/69/64/616036964.db2.gz BHMXCGRDBAMBKM-NEPJUHHUSA-N 2 2 261.373 0.902 20 0 CCADLP CN(CC(C)(C)C[NH3+])C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000911865508 616051057 /nfs/dbraw/zinc/05/10/57/616051057.db2.gz RTCDPICMWRUZPE-NSHDSACASA-N 2 2 264.373 0.889 20 0 CCADLP C[N@H+](CCCCNC(=O)/C=C\C[NH+]1CCOCC1)C1CC1 ZINC000868823738 616072626 /nfs/dbraw/zinc/07/26/26/616072626.db2.gz YGIREPPJAXCDIB-PLNGDYQASA-N 2 2 295.427 0.865 20 0 CCADLP C[N@@H+](CCCCNC(=O)/C=C\C[NH+]1CCOCC1)C1CC1 ZINC000868823738 616072627 /nfs/dbraw/zinc/07/26/27/616072627.db2.gz YGIREPPJAXCDIB-PLNGDYQASA-N 2 2 295.427 0.865 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+](C[C@@H]2CCC3(COC3)O2)CC1 ZINC000929659304 616075695 /nfs/dbraw/zinc/07/56/95/616075695.db2.gz ZWHVRNJNARPJIH-HNNXBMFYSA-N 2 2 298.427 0.713 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+](C[C@@H]2CCC3(COC3)O2)CC1 ZINC000929659304 616075696 /nfs/dbraw/zinc/07/56/96/616075696.db2.gz ZWHVRNJNARPJIH-HNNXBMFYSA-N 2 2 298.427 0.713 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000901119879 616076633 /nfs/dbraw/zinc/07/66/33/616076633.db2.gz VNXJJUJNMPWNLZ-TZMCWYRMSA-N 2 2 280.372 0.187 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000901119879 616076634 /nfs/dbraw/zinc/07/66/34/616076634.db2.gz VNXJJUJNMPWNLZ-TZMCWYRMSA-N 2 2 280.372 0.187 20 0 CCADLP CN(CC[NH+]1CCOCC1)c1cc[nH+]cc1CO ZINC000892284266 616090101 /nfs/dbraw/zinc/09/01/01/616090101.db2.gz KKDGQWYDWMKJRR-UHFFFAOYSA-N 2 2 251.330 0.342 20 0 CCADLP C[N@H+](Cc1cn(CC[NH+]2CCOCC2)nn1)C(C)(C)C ZINC000905798036 616092075 /nfs/dbraw/zinc/09/20/75/616092075.db2.gz AHTIFLHFMDBZAK-UHFFFAOYSA-N 2 2 281.404 0.841 20 0 CCADLP C[N@@H+](Cc1cn(CC[NH+]2CCOCC2)nn1)C(C)(C)C ZINC000905798036 616092076 /nfs/dbraw/zinc/09/20/76/616092076.db2.gz AHTIFLHFMDBZAK-UHFFFAOYSA-N 2 2 281.404 0.841 20 0 CCADLP C[N@H+](CC[NH2+]C1CCN(CC[NH3+])CC1)C1CCCC1 ZINC000904363184 616096095 /nfs/dbraw/zinc/09/60/95/616096095.db2.gz XKXJEMTWBOQMQI-UHFFFAOYSA-N 3 2 268.449 0.874 20 0 CCADLP C[N@@H+](CC[NH2+]C1CCN(CC[NH3+])CC1)C1CCCC1 ZINC000904363184 616096096 /nfs/dbraw/zinc/09/60/96/616096096.db2.gz XKXJEMTWBOQMQI-UHFFFAOYSA-N 3 2 268.449 0.874 20 0 CCADLP C[NH+]1CCC(CCO)([NH2+]Cc2cnn(CCF)c2)CC1 ZINC000922215205 616168759 /nfs/dbraw/zinc/16/87/59/616168759.db2.gz YUQGRFRIMWWSHM-UHFFFAOYSA-N 2 2 284.379 0.789 20 0 CCADLP C[NH+]1CCC(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000895571704 616170442 /nfs/dbraw/zinc/17/04/42/616170442.db2.gz MJCVTEPYQFDLJE-AWEZNQCLSA-N 3 2 282.432 0.258 20 0 CCADLP C[NH+]1CCC(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000895571704 616170444 /nfs/dbraw/zinc/17/04/44/616170444.db2.gz MJCVTEPYQFDLJE-AWEZNQCLSA-N 3 2 282.432 0.258 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3C[C@@H]4C[C@@H]4C3)C2)CC1 ZINC000888287404 616172709 /nfs/dbraw/zinc/17/27/09/616172709.db2.gz ZVAIKSFHGIULIG-MJBXVCDLSA-N 2 2 292.427 0.816 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3C[C@@H]4C[C@@H]4C3)C2)CC1 ZINC000888287404 616172710 /nfs/dbraw/zinc/17/27/10/616172710.db2.gz ZVAIKSFHGIULIG-MJBXVCDLSA-N 2 2 292.427 0.816 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC000969098723 616183332 /nfs/dbraw/zinc/18/33/32/616183332.db2.gz FPRRJFBLVRGWOR-YPMHNXCESA-N 2 2 293.371 0.244 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1 ZINC000969098723 616183333 /nfs/dbraw/zinc/18/33/33/616183333.db2.gz FPRRJFBLVRGWOR-YPMHNXCESA-N 2 2 293.371 0.244 20 0 CCADLP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC000827908548 616189055 /nfs/dbraw/zinc/18/90/55/616189055.db2.gz OFRZQAFPSNHSNV-CYBMUJFWSA-N 2 2 291.399 0.191 20 0 CCADLP C[N@H+]1CCC[C@@H](N2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC000827908548 616189056 /nfs/dbraw/zinc/18/90/56/616189056.db2.gz OFRZQAFPSNHSNV-CYBMUJFWSA-N 2 2 291.399 0.191 20 0 CCADLP CN(C(=O)N[C@@H]1CCC[NH+](C)C1)[C@@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000652418121 616189697 /nfs/dbraw/zinc/18/96/97/616189697.db2.gz SLSJTDIMKYCCBZ-MCIONIFRSA-N 2 2 296.415 0.195 20 0 CCADLP CN(C(=O)N[C@@H]1CCC[N@H+](C)C1)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000652418121 616189699 /nfs/dbraw/zinc/18/96/99/616189699.db2.gz SLSJTDIMKYCCBZ-MCIONIFRSA-N 2 2 296.415 0.195 20 0 CCADLP CN(C(=O)N[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CC[NH+]2CCO[C@H]1C2 ZINC000652418121 616189700 /nfs/dbraw/zinc/18/97/00/616189700.db2.gz SLSJTDIMKYCCBZ-MCIONIFRSA-N 2 2 296.415 0.195 20 0 CCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC000830401454 616197722 /nfs/dbraw/zinc/19/77/22/616197722.db2.gz KRFDSCCLUBZLPZ-VXGBXAGGSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC000830401454 616197723 /nfs/dbraw/zinc/19/77/23/616197723.db2.gz KRFDSCCLUBZLPZ-VXGBXAGGSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H]1CCc2ncnn21 ZINC000880142899 616199328 /nfs/dbraw/zinc/19/93/28/616199328.db2.gz VTZCBNCDLZCAIU-RWMBFGLXSA-N 2 2 261.373 0.934 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H]1CCc2ncnn21 ZINC000880142899 616199329 /nfs/dbraw/zinc/19/93/29/616199329.db2.gz VTZCBNCDLZCAIU-RWMBFGLXSA-N 2 2 261.373 0.934 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H]1CCc2ncnn21 ZINC000880142899 616199330 /nfs/dbraw/zinc/19/93/30/616199330.db2.gz VTZCBNCDLZCAIU-RWMBFGLXSA-N 2 2 261.373 0.934 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H]1CCc2ncnn21 ZINC000880142899 616199331 /nfs/dbraw/zinc/19/93/31/616199331.db2.gz VTZCBNCDLZCAIU-RWMBFGLXSA-N 2 2 261.373 0.934 20 0 CCADLP C[N@H+](CCCc1cccnc1)CC(=O)N1CC[NH+](C)CC1 ZINC000931488093 616223192 /nfs/dbraw/zinc/22/31/92/616223192.db2.gz OCZLQQPFVKRBGE-UHFFFAOYSA-N 2 2 290.411 0.720 20 0 CCADLP C[N@@H+](CCCc1cccnc1)CC(=O)N1CC[NH+](C)CC1 ZINC000931488093 616223193 /nfs/dbraw/zinc/22/31/93/616223193.db2.gz OCZLQQPFVKRBGE-UHFFFAOYSA-N 2 2 290.411 0.720 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1C[C@]12CCOC2 ZINC000886307303 616223305 /nfs/dbraw/zinc/22/33/05/616223305.db2.gz OUHUGSREIAGTQK-HIFRSBDPSA-N 2 2 281.400 0.119 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1C[C@]12CCOC2 ZINC000886307303 616223306 /nfs/dbraw/zinc/22/33/06/616223306.db2.gz OUHUGSREIAGTQK-HIFRSBDPSA-N 2 2 281.400 0.119 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC000866248572 616223801 /nfs/dbraw/zinc/22/38/01/616223801.db2.gz FEMJJDFXQTWANG-HOCLYGCPSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2C[NH+](C)CC3)C1 ZINC000923281101 616258464 /nfs/dbraw/zinc/25/84/64/616258464.db2.gz DOUUYAQDARPHCI-AGIUHOORSA-N 2 2 267.373 0.012 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2C[NH+](C)CC3)C1 ZINC000923281101 616258465 /nfs/dbraw/zinc/25/84/65/616258465.db2.gz DOUUYAQDARPHCI-AGIUHOORSA-N 2 2 267.373 0.012 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)C1 ZINC000923281101 616258466 /nfs/dbraw/zinc/25/84/66/616258466.db2.gz DOUUYAQDARPHCI-AGIUHOORSA-N 2 2 267.373 0.012 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2C[N@@H+](C)CC3)C1 ZINC000923281101 616258467 /nfs/dbraw/zinc/25/84/67/616258467.db2.gz DOUUYAQDARPHCI-AGIUHOORSA-N 2 2 267.373 0.012 20 0 CCADLP CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC000913507446 616261012 /nfs/dbraw/zinc/26/10/12/616261012.db2.gz PDDDUOCMWLJTLK-SOUVJXGZSA-N 2 2 295.427 0.792 20 0 CCADLP CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC000913507446 616261013 /nfs/dbraw/zinc/26/10/13/616261013.db2.gz PDDDUOCMWLJTLK-SOUVJXGZSA-N 2 2 295.427 0.792 20 0 CCADLP CN(C[C@@H]1C[NH+](C)CCO1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000913507446 616261014 /nfs/dbraw/zinc/26/10/14/616261014.db2.gz PDDDUOCMWLJTLK-SOUVJXGZSA-N 2 2 295.427 0.792 20 0 CCADLP CN(C[C@@H]1C[NH+](C)CCO1)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000913507446 616261015 /nfs/dbraw/zinc/26/10/15/616261015.db2.gz PDDDUOCMWLJTLK-SOUVJXGZSA-N 2 2 295.427 0.792 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC000812333983 616314331 /nfs/dbraw/zinc/31/43/31/616314331.db2.gz LCLINNIRMXOMIF-NEPJUHHUSA-N 2 2 262.357 0.752 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC000812333983 616314335 /nfs/dbraw/zinc/31/43/35/616314335.db2.gz LCLINNIRMXOMIF-NEPJUHHUSA-N 2 2 262.357 0.752 20 0 CCADLP COC(C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1)OC ZINC000844337372 616317092 /nfs/dbraw/zinc/31/70/92/616317092.db2.gz DJAGUWBIDQXDMY-UHFFFAOYSA-N 2 2 272.389 0.432 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868624323 616319399 /nfs/dbraw/zinc/31/93/99/616319399.db2.gz QQNDPVCGUWIUJT-YPMHNXCESA-N 2 2 277.372 0.656 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000868624323 616319405 /nfs/dbraw/zinc/31/94/05/616319405.db2.gz QQNDPVCGUWIUJT-YPMHNXCESA-N 2 2 277.372 0.656 20 0 CCADLP C[N@@H+]1CC[C@@H]2C[NH+](CCc3nnn(C(C)(C)C)n3)CC[C@H]21 ZINC000879578844 616334233 /nfs/dbraw/zinc/33/42/33/616334233.db2.gz HMXOGGJPQCMLPI-CHWSQXEVSA-N 2 2 292.431 0.997 20 0 CCADLP C[N@H+]1CC[C@@H]2C[NH+](CCc3nnn(C(C)(C)C)n3)CC[C@H]21 ZINC000879578844 616334238 /nfs/dbraw/zinc/33/42/38/616334238.db2.gz HMXOGGJPQCMLPI-CHWSQXEVSA-N 2 2 292.431 0.997 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@H+](CCc3nnn(C(C)(C)C)n3)CC[C@H]21 ZINC000879578844 616334243 /nfs/dbraw/zinc/33/42/43/616334243.db2.gz HMXOGGJPQCMLPI-CHWSQXEVSA-N 2 2 292.431 0.997 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@@H+](CCc3nnn(C(C)(C)C)n3)CC[C@H]21 ZINC000879578844 616334248 /nfs/dbraw/zinc/33/42/48/616334248.db2.gz HMXOGGJPQCMLPI-CHWSQXEVSA-N 2 2 292.431 0.997 20 0 CCADLP C[N@H+](Cc1ccon1)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000980392295 616364390 /nfs/dbraw/zinc/36/43/90/616364390.db2.gz WNOZIMDIMOYNFM-JSGCOSHPSA-N 2 2 292.383 0.659 20 0 CCADLP C[N@@H+](Cc1ccon1)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000980392295 616364394 /nfs/dbraw/zinc/36/43/94/616364394.db2.gz WNOZIMDIMOYNFM-JSGCOSHPSA-N 2 2 292.383 0.659 20 0 CCADLP C[NH+](Cc1ccon1)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000980392295 616364395 /nfs/dbraw/zinc/36/43/95/616364395.db2.gz WNOZIMDIMOYNFM-JSGCOSHPSA-N 2 2 292.383 0.659 20 0 CCADLP C[NH+](Cc1ccon1)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000980392295 616364399 /nfs/dbraw/zinc/36/43/99/616364399.db2.gz WNOZIMDIMOYNFM-JSGCOSHPSA-N 2 2 292.383 0.659 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000947863023 616392034 /nfs/dbraw/zinc/39/20/34/616392034.db2.gz VXDBUADQCQQNAS-VXGBXAGGSA-N 2 2 280.372 0.568 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000947863023 616392039 /nfs/dbraw/zinc/39/20/39/616392039.db2.gz VXDBUADQCQQNAS-VXGBXAGGSA-N 2 2 280.372 0.568 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000943177788 616392675 /nfs/dbraw/zinc/39/26/75/616392675.db2.gz PWPMANZNLDTHDG-WCQYABFASA-N 2 2 280.372 0.425 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000943177788 616392678 /nfs/dbraw/zinc/39/26/78/616392678.db2.gz PWPMANZNLDTHDG-WCQYABFASA-N 2 2 280.372 0.425 20 0 CCADLP C[NH+]1C[C@@]2(C)C[NH+](CCCOC(=O)NC(N)=O)C[C@]2(C)C1 ZINC000931312302 616395251 /nfs/dbraw/zinc/39/52/51/616395251.db2.gz SGNSNUZRZIBHIH-KBPBESRZSA-N 2 2 298.387 0.455 20 0 CCADLP C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC000854735289 616456320 /nfs/dbraw/zinc/45/63/20/616456320.db2.gz MRSMWDMUKOXURV-CQSZACIVSA-N 2 2 262.357 0.897 20 0 CCADLP C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC000854735289 616456322 /nfs/dbraw/zinc/45/63/22/616456322.db2.gz MRSMWDMUKOXURV-CQSZACIVSA-N 2 2 262.357 0.897 20 0 CCADLP C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC000908536486 616456595 /nfs/dbraw/zinc/45/65/95/616456595.db2.gz OACPNSKSXWBHND-CQSZACIVSA-N 2 2 262.357 0.897 20 0 CCADLP CN(C)S(=O)(=O)CCC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933741688 616511871 /nfs/dbraw/zinc/51/18/71/616511871.db2.gz DRGLXOGNJDFPSZ-QWHCGFSZSA-N 2 2 289.445 0.151 20 0 CCADLP CN(C)S(=O)(=O)CCC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933741688 616511873 /nfs/dbraw/zinc/51/18/73/616511873.db2.gz DRGLXOGNJDFPSZ-QWHCGFSZSA-N 2 2 289.445 0.151 20 0 CCADLP CN(C)S(=O)(=O)CCC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933741688 616511875 /nfs/dbraw/zinc/51/18/75/616511875.db2.gz DRGLXOGNJDFPSZ-QWHCGFSZSA-N 2 2 289.445 0.151 20 0 CCADLP CN(C)S(=O)(=O)CCC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933741688 616511876 /nfs/dbraw/zinc/51/18/76/616511876.db2.gz DRGLXOGNJDFPSZ-QWHCGFSZSA-N 2 2 289.445 0.151 20 0 CCADLP COCCOC[C@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000893707618 616565625 /nfs/dbraw/zinc/56/56/25/616565625.db2.gz WGPXGAYODUSJJJ-NWDGAFQWSA-N 2 2 253.346 0.839 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517547 616625323 /nfs/dbraw/zinc/62/53/23/616625323.db2.gz AZTLAIKEPCPLKR-NWDGAFQWSA-N 2 2 295.383 0.434 20 0 CCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000820500456 616634373 /nfs/dbraw/zinc/63/43/73/616634373.db2.gz BWTMCTKXKQQQJK-CYBMUJFWSA-N 2 2 297.399 0.178 20 0 CCADLP COCC[C@H]1C[NH2+]CCN1C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000899247076 616687714 /nfs/dbraw/zinc/68/77/14/616687714.db2.gz FBIVASFNAKASII-STQMWFEESA-N 2 2 295.387 0.292 20 0 CCADLP COC(=O)N(C)CC[N@H+](C)CCc1c[nH+]cn1C ZINC000852568770 616765734 /nfs/dbraw/zinc/76/57/34/616765734.db2.gz OCUCWTIGNHSARM-UHFFFAOYSA-N 2 2 254.334 0.593 20 0 CCADLP COC(=O)N(C)CC[N@@H+](C)CCc1c[nH+]cn1C ZINC000852568770 616765738 /nfs/dbraw/zinc/76/57/38/616765738.db2.gz OCUCWTIGNHSARM-UHFFFAOYSA-N 2 2 254.334 0.593 20 0 CCADLP CO[C@H]1C[C@H](C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000925734583 616845492 /nfs/dbraw/zinc/84/54/92/616845492.db2.gz AXNBPTQCQIZEAK-FMKGYKFTSA-N 2 2 254.374 0.768 20 0 CCADLP COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]CCn1cc[nH+]c1 ZINC000886489846 616873914 /nfs/dbraw/zinc/87/39/14/616873914.db2.gz SJZIZWFKAJSGNM-LLVKDONJSA-N 2 2 289.339 0.991 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903717178 616984358 /nfs/dbraw/zinc/98/43/58/616984358.db2.gz JDWOGHXLBLZXEB-BFHYXJOUSA-N 3 2 253.390 0.439 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903717178 616984362 /nfs/dbraw/zinc/98/43/62/616984362.db2.gz JDWOGHXLBLZXEB-BFHYXJOUSA-N 3 2 253.390 0.439 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC000866723654 616988083 /nfs/dbraw/zinc/98/80/83/616988083.db2.gz IOJQXEBNVNCTMK-OAHLLOKOSA-N 2 2 285.432 0.537 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC000866723654 616988088 /nfs/dbraw/zinc/98/80/88/616988088.db2.gz IOJQXEBNVNCTMK-OAHLLOKOSA-N 2 2 285.432 0.537 20 0 CCADLP COCCN(CC1CC[NH+](C)CC1)c1nc(C)[nH+]c(N)n1 ZINC000865997963 616991044 /nfs/dbraw/zinc/99/10/44/616991044.db2.gz SOVWVYJNSNHIFL-UHFFFAOYSA-N 2 2 294.403 0.557 20 0 CCADLP CNS(=O)(=O)CCC[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925725333 617013251 /nfs/dbraw/zinc/01/32/51/617013251.db2.gz JXNPIDBBNLCOCQ-DGCLKSJQSA-N 2 2 285.413 0.604 20 0 CCADLP CNS(=O)(=O)CC[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880259664 617017870 /nfs/dbraw/zinc/01/78/70/617017870.db2.gz YPOQOPSUXGGLLI-LBPRGKRZSA-N 2 2 298.412 0.141 20 0 CCADLP CNS(=O)(=O)CC[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880259664 617017874 /nfs/dbraw/zinc/01/78/74/617017874.db2.gz YPOQOPSUXGGLLI-LBPRGKRZSA-N 2 2 298.412 0.141 20 0 CCADLP CON(C)C(=O)[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000858580132 617068764 /nfs/dbraw/zinc/06/87/64/617068764.db2.gz LOVZVUSTSNBJBI-JTQLQIEISA-N 2 2 255.362 0.611 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000829470774 617082844 /nfs/dbraw/zinc/08/28/44/617082844.db2.gz VXASKUNZDZZTFY-AWEZNQCLSA-N 2 2 288.351 0.852 20 0 CCADLP CONC(=O)C1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000879923213 617108427 /nfs/dbraw/zinc/10/84/27/617108427.db2.gz CKNQCSARHRPQTE-UHFFFAOYSA-N 2 2 266.345 0.581 20 0 CCADLP COc1c(C)c[nH+]c(CNC(=O)[C@H](N)CC[NH+](C)C)c1C ZINC000846673529 617145909 /nfs/dbraw/zinc/14/59/09/617145909.db2.gz QNXOLGDMICUNAC-GFCCVEGCSA-N 2 2 294.399 0.602 20 0 CCADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC000925522964 625359951 /nfs/dbraw/zinc/35/99/51/625359951.db2.gz KDTREQGWYXRRMH-BXUZGUMPSA-N 2 2 277.368 0.781 20 0 CCADLP CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]12 ZINC001026365876 625414652 /nfs/dbraw/zinc/41/46/52/625414652.db2.gz CHCZCNMDNDRMEP-KGYLQXTDSA-N 2 2 262.357 0.799 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCc1c[nH+]cn1C ZINC000892078238 622567034 /nfs/dbraw/zinc/56/70/34/622567034.db2.gz NWDXZYCZZUBULK-GXSJLCMTSA-N 2 2 251.334 0.217 20 0 CCADLP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1c[nH+]cn1C ZINC000892091259 622579046 /nfs/dbraw/zinc/57/90/46/622579046.db2.gz DNFMHQCSBFSFNN-GXSJLCMTSA-N 2 2 251.334 0.217 20 0 CCADLP C[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000972040249 622599755 /nfs/dbraw/zinc/59/97/55/622599755.db2.gz OBXMFWPKRASKSI-CHWSQXEVSA-N 2 2 280.372 0.187 20 0 CCADLP C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000972040249 622599763 /nfs/dbraw/zinc/59/97/63/622599763.db2.gz OBXMFWPKRASKSI-CHWSQXEVSA-N 2 2 280.372 0.187 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC001022776191 622744570 /nfs/dbraw/zinc/74/45/70/622744570.db2.gz WOOGCNJWKNVYBC-UPJWGTAASA-N 2 2 292.383 0.616 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H]([NH2+]CCF)C1 ZINC001022978298 622875142 /nfs/dbraw/zinc/87/51/42/622875142.db2.gz YNVXFZWUIGFQOK-AOOOYVTPSA-N 2 2 254.309 0.169 20 0 CCADLP O=C(N[C@H]1C[C@@H]([NH2+]CCF)C1)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001023117614 622915373 /nfs/dbraw/zinc/91/53/73/622915373.db2.gz WYVQEIOCLKONHX-HZSPNIEDSA-N 2 2 299.390 0.304 20 0 CCADLP Cc1nonc1C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001023159259 622931159 /nfs/dbraw/zinc/93/11/59/622931159.db2.gz WDZLTDRJJXQZQI-PHIMTYICSA-N 2 2 290.327 0.012 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC001023161399 622932430 /nfs/dbraw/zinc/93/24/30/622932430.db2.gz XXKPQGMFCZLIHM-MELADBBJSA-N 2 2 292.383 0.547 20 0 CCADLP COCC[C@@H]([NH3+])C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000052791821 623480435 /nfs/dbraw/zinc/48/04/35/623480435.db2.gz TZEMWYOJTRWCSB-GFCCVEGCSA-N 2 2 289.339 0.878 20 0 CCADLP COCC[C@H]([NH3+])C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000052791695 623480906 /nfs/dbraw/zinc/48/09/06/623480906.db2.gz IKAHNTFEJDUYFK-NWDGAFQWSA-N 2 2 282.388 0.778 20 0 CCADLP Cn1ncc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1C1CC1 ZINC000892669902 623650151 /nfs/dbraw/zinc/65/01/51/623650151.db2.gz MXVULMPDKZZFKD-CQSZACIVSA-N 2 2 278.400 0.844 20 0 CCADLP c1[nH+]cn2ccnc(N3CC[C@H](C[NH+]4CCOCC4)C3)c12 ZINC000892679717 623696534 /nfs/dbraw/zinc/69/65/34/623696534.db2.gz HWJAWSNLTXHBSZ-CYBMUJFWSA-N 2 2 287.367 0.888 20 0 CCADLP CC[C@H](F)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001025719371 623875828 /nfs/dbraw/zinc/87/58/28/623875828.db2.gz MHXIMOOOWHMDGG-ODXJTPSBSA-N 2 2 299.390 0.112 20 0 CCADLP CC[C@H](F)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001025719371 623875832 /nfs/dbraw/zinc/87/58/32/623875832.db2.gz MHXIMOOOWHMDGG-ODXJTPSBSA-N 2 2 299.390 0.112 20 0 CCADLP CC[C@H](F)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001025719371 623875836 /nfs/dbraw/zinc/87/58/36/623875836.db2.gz MHXIMOOOWHMDGG-ODXJTPSBSA-N 2 2 299.390 0.112 20 0 CCADLP CC[C@H](F)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001025719371 623875837 /nfs/dbraw/zinc/87/58/37/623875837.db2.gz MHXIMOOOWHMDGG-ODXJTPSBSA-N 2 2 299.390 0.112 20 0 CCADLP O=C([C@@H](C1CC1)[NH+]1CCOCC1)N1CC[C@H]([NH2+]CCF)C1 ZINC001019799289 623910944 /nfs/dbraw/zinc/91/09/44/623910944.db2.gz IMXYORWCJMNKLU-UONOGXRCSA-N 2 2 299.390 0.257 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCF)C1 ZINC001020603477 624547616 /nfs/dbraw/zinc/54/76/16/624547616.db2.gz BIYIRUJHEOROOL-DDHJBXDOSA-N 2 2 280.347 0.730 20 0 CCADLP COc1nn(C)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000902455972 634390993 /nfs/dbraw/zinc/39/09/93/634390993.db2.gz MBSJCUJYULKUDN-FOSCPWQOSA-N 2 2 250.346 0.801 20 0 CCADLP C[C@H]([NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1)[C@@H]1CCCC[NH2+]1 ZINC000902503889 634393818 /nfs/dbraw/zinc/39/38/18/634393818.db2.gz YOWQEDHTYDUHMB-AVGNSLFASA-N 2 2 291.399 0.881 20 0 CCADLP C[C@@H]1CC[C@H](C[NH2+][C@H]2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)O1 ZINC001020819334 624606672 /nfs/dbraw/zinc/60/66/72/624606672.db2.gz UNLDLJKWDCRQDS-FDYHWXHSSA-N 2 2 292.383 0.757 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cnon2)C1 ZINC001021053092 624653393 /nfs/dbraw/zinc/65/33/93/624653393.db2.gz ICZWSIPUGITADS-XYPYZODXSA-N 2 2 290.327 0.012 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCOC2)C1 ZINC000970481698 624690807 /nfs/dbraw/zinc/69/08/07/624690807.db2.gz IWEXVVQBYLTKMB-CHWSQXEVSA-N 2 2 292.383 0.190 20 0 CCADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(F)cc2)C1 ZINC000050247224 624803983 /nfs/dbraw/zinc/80/39/83/624803983.db2.gz CSDMYYFKPCPYSK-LBPRGKRZSA-N 2 2 265.332 0.723 20 0 CCADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(F)cc2)C1 ZINC000050247224 624803985 /nfs/dbraw/zinc/80/39/85/624803985.db2.gz CSDMYYFKPCPYSK-LBPRGKRZSA-N 2 2 265.332 0.723 20 0 CCADLP [NH3+][C@H]1C[C@@H](CNC(=O)NCCCCn2cc[nH+]c2)C1 ZINC000891402556 624856836 /nfs/dbraw/zinc/85/68/36/624856836.db2.gz YZBMXQZQIPCJTK-TXEJJXNPSA-N 2 2 265.361 0.700 20 0 CCADLP C[C@@H](NC(=O)NCCC(C)(C)[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000891519256 624881361 /nfs/dbraw/zinc/88/13/61/624881361.db2.gz ZLSGYJBFJJDENT-NEPJUHHUSA-N 2 2 286.420 0.522 20 0 CCADLP C[N@H+](CCO)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000971723032 624898276 /nfs/dbraw/zinc/89/82/76/624898276.db2.gz SQEQTBCONYMHQB-QJPTWQEYSA-N 2 2 278.356 0.038 20 0 CCADLP C[N@@H+](CCO)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000971723032 624898277 /nfs/dbraw/zinc/89/82/77/624898277.db2.gz SQEQTBCONYMHQB-QJPTWQEYSA-N 2 2 278.356 0.038 20 0 CCADLP C[N@H+](CCO)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000971723032 624898279 /nfs/dbraw/zinc/89/82/79/624898279.db2.gz SQEQTBCONYMHQB-QJPTWQEYSA-N 2 2 278.356 0.038 20 0 CCADLP C[N@@H+](CCO)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000971723032 624898282 /nfs/dbraw/zinc/89/82/82/624898282.db2.gz SQEQTBCONYMHQB-QJPTWQEYSA-N 2 2 278.356 0.038 20 0 CCADLP [NH3+][C@H]1C[C@H](CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000891710231 624910971 /nfs/dbraw/zinc/91/09/71/624910971.db2.gz YEEMMCKPNQWHMU-JHJVBQTASA-N 2 2 289.383 0.697 20 0 CCADLP [NH3+]C[C@H]1CCCN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000891818475 624936303 /nfs/dbraw/zinc/93/63/03/624936303.db2.gz IYNBFRDQGTUDKB-GHMZBOCLSA-N 2 2 263.345 0.331 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000891896108 624986384 /nfs/dbraw/zinc/98/63/84/624986384.db2.gz SIOVAWALRCKZMP-KGLIPLIRSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000891896108 624986408 /nfs/dbraw/zinc/98/64/08/624986408.db2.gz SIOVAWALRCKZMP-KGLIPLIRSA-N 2 2 298.431 0.348 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000891971217 625012709 /nfs/dbraw/zinc/01/27/09/625012709.db2.gz NHFRLQTUFCVGGF-SNVBAGLBSA-N 2 2 251.334 0.361 20 0 CCADLP CO[C@H]1CCC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000903206498 634543660 /nfs/dbraw/zinc/54/36/60/634543660.db2.gz RCISROAVZFCXBG-AVGNSLFASA-N 2 2 269.389 0.483 20 0 CCADLP CO[C@H]1CCC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000903206498 634543663 /nfs/dbraw/zinc/54/36/63/634543663.db2.gz RCISROAVZFCXBG-AVGNSLFASA-N 2 2 269.389 0.483 20 0 CCADLP O=C(NCC1CC1)[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903431643 634561831 /nfs/dbraw/zinc/56/18/31/634561831.db2.gz TZFCBCQIJMQXFE-UONOGXRCSA-N 2 2 265.401 0.977 20 0 CCADLP O=C(NCC1CC1)[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903431643 634561839 /nfs/dbraw/zinc/56/18/39/634561839.db2.gz TZFCBCQIJMQXFE-UONOGXRCSA-N 2 2 265.401 0.977 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN(CC(=O)N2CCCC2)CC1 ZINC000903441321 634562777 /nfs/dbraw/zinc/56/27/77/634562777.db2.gz NJXSQENHZRULPW-CABCVRRESA-N 2 2 294.443 0.082 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1CN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000903441321 634562788 /nfs/dbraw/zinc/56/27/88/634562788.db2.gz NJXSQENHZRULPW-CABCVRRESA-N 2 2 294.443 0.082 20 0 CCADLP c1ccc(C[NH+]2CCN(C[C@H]3CCC[NH2+]3)CC2)nc1 ZINC000903445197 634568878 /nfs/dbraw/zinc/56/88/78/634568878.db2.gz HQKFTOYKNKEBPO-OAHLLOKOSA-N 2 2 260.385 0.951 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC000903479692 634576102 /nfs/dbraw/zinc/57/61/02/634576102.db2.gz WLUMUDYLDZJYNX-MROQNXINSA-N 2 2 272.414 0.208 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC000903479692 634576134 /nfs/dbraw/zinc/57/61/34/634576134.db2.gz WLUMUDYLDZJYNX-MROQNXINSA-N 2 2 272.414 0.208 20 0 CCADLP C[C@@H]1CCC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)[C@@H]1C[NH3+] ZINC000903716678 634627921 /nfs/dbraw/zinc/62/79/21/634627921.db2.gz BRHHJXALGCVWFR-BARDWOONSA-N 3 2 267.417 0.814 20 0 CCADLP C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)[C@@H]1C[NH3+] ZINC000903716678 634627924 /nfs/dbraw/zinc/62/79/24/634627924.db2.gz BRHHJXALGCVWFR-BARDWOONSA-N 3 2 267.417 0.814 20 0 CCADLP [NH3+]C[C@H]1CCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717213 634629102 /nfs/dbraw/zinc/62/91/02/634629102.db2.gz KJVJKNIONPYAQA-CHWSQXEVSA-N 3 2 253.390 0.568 20 0 CCADLP [NH3+]C[C@H]1CCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717213 634629109 /nfs/dbraw/zinc/62/91/09/634629109.db2.gz KJVJKNIONPYAQA-CHWSQXEVSA-N 3 2 253.390 0.568 20 0 CCADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1[nH]nc2c1COCC2 ZINC000903752619 634637758 /nfs/dbraw/zinc/63/77/58/634637758.db2.gz OLURPDBWQUEDPY-GFCCVEGCSA-N 2 2 252.362 0.945 20 0 CCADLP O=C1NCCO[C@@H]2CCC[N@H+](C[C@H]3CCCC[NH2+]C3)[C@H]12 ZINC000903780079 634649752 /nfs/dbraw/zinc/64/97/52/634649752.db2.gz CWLVFMUUIIXVLL-MJBXVCDLSA-N 2 2 281.400 0.356 20 0 CCADLP O=C1NCCO[C@@H]2CCC[N@@H+](C[C@H]3CCCC[NH2+]C3)[C@H]12 ZINC000903780079 634649758 /nfs/dbraw/zinc/64/97/58/634649758.db2.gz CWLVFMUUIIXVLL-MJBXVCDLSA-N 2 2 281.400 0.356 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CCCN2CC[NH+]1CCOCC1 ZINC000903797627 634654059 /nfs/dbraw/zinc/65/40/59/634654059.db2.gz ISHPKPOLWXFRMV-UONOGXRCSA-N 2 2 253.390 0.522 20 0 CCADLP [NH3+]C[C@]12CC[C@H]1CCCN2CC[NH+]1CCOCC1 ZINC000903797628 634654364 /nfs/dbraw/zinc/65/43/64/634654364.db2.gz ISHPKPOLWXFRMV-ZIAGYGMSSA-N 2 2 253.390 0.522 20 0 CCADLP [NH3+]C[C@]12CC[C@H]1CCC[N@@H+]2CCN1CCCC1=O ZINC000903797916 634654713 /nfs/dbraw/zinc/65/47/13/634654713.db2.gz LFPCOQCZGCDGFS-TZMCWYRMSA-N 2 2 251.374 0.812 20 0 CCADLP [NH3+]C[C@]12CC[C@H]1CCC[N@H+]2CCN1CCCC1=O ZINC000903797916 634654717 /nfs/dbraw/zinc/65/47/17/634654717.db2.gz LFPCOQCZGCDGFS-TZMCWYRMSA-N 2 2 251.374 0.812 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000903804708 634655334 /nfs/dbraw/zinc/65/53/34/634655334.db2.gz HTOIWTHIPGXWJY-BTFPBAQTSA-N 2 2 266.385 0.994 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000903804708 634655342 /nfs/dbraw/zinc/65/53/42/634655342.db2.gz HTOIWTHIPGXWJY-BTFPBAQTSA-N 2 2 266.385 0.994 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CCOC1CCOCC1 ZINC000903859708 634670666 /nfs/dbraw/zinc/67/06/66/634670666.db2.gz ONUVVPHDCZVQAY-TZMCWYRMSA-N 2 2 254.374 0.995 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CCOC1CCOCC1 ZINC000903859708 634670669 /nfs/dbraw/zinc/67/06/69/634670669.db2.gz ONUVVPHDCZVQAY-TZMCWYRMSA-N 2 2 254.374 0.995 20 0 CCADLP O[C@H](COC1CCOCC1)C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903872458 634672745 /nfs/dbraw/zinc/67/27/45/634672745.db2.gz ZZLUPWRDJAYPLV-ZFWWWQNUSA-N 2 2 284.400 0.371 20 0 CCADLP O[C@H](COC1CCOCC1)C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903872458 634672748 /nfs/dbraw/zinc/67/27/48/634672748.db2.gz ZZLUPWRDJAYPLV-ZFWWWQNUSA-N 2 2 284.400 0.371 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903873474 634672820 /nfs/dbraw/zinc/67/28/20/634672820.db2.gz IMEQANUZZCVXRB-AVGNSLFASA-N 3 2 278.404 0.372 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903873474 634672837 /nfs/dbraw/zinc/67/28/37/634672837.db2.gz IMEQANUZZCVXRB-AVGNSLFASA-N 3 2 278.404 0.372 20 0 CCADLP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@@H+]1CCOCC2(CC2)C1 ZINC000903913168 634683519 /nfs/dbraw/zinc/68/35/19/634683519.db2.gz AJRHRBTXZBRFPP-CYBMUJFWSA-N 2 2 291.399 0.815 20 0 CCADLP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@H+]1CCOCC2(CC2)C1 ZINC000903913168 634683522 /nfs/dbraw/zinc/68/35/22/634683522.db2.gz AJRHRBTXZBRFPP-CYBMUJFWSA-N 2 2 291.399 0.815 20 0 CCADLP C[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)CC1=CCCOC1 ZINC000903932774 634692434 /nfs/dbraw/zinc/69/24/34/634692434.db2.gz GRSXKUZFTUHFMZ-CQSZACIVSA-N 2 2 291.399 0.981 20 0 CCADLP C[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)CC1=CCCOC1 ZINC000903932774 634692440 /nfs/dbraw/zinc/69/24/40/634692440.db2.gz GRSXKUZFTUHFMZ-CQSZACIVSA-N 2 2 291.399 0.981 20 0 CCADLP C[C@@H]1C[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000903935692 634693959 /nfs/dbraw/zinc/69/39/59/634693959.db2.gz SHWRCFQCRICICE-UPJWGTAASA-N 3 2 278.404 0.229 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000903935692 634693960 /nfs/dbraw/zinc/69/39/60/634693960.db2.gz SHWRCFQCRICICE-UPJWGTAASA-N 3 2 278.404 0.229 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000903968695 634702858 /nfs/dbraw/zinc/70/28/58/634702858.db2.gz YXDCPPCZNDGUIY-MNOVXSKESA-N 2 2 251.378 0.978 20 0 CCADLP c1cc(N2CC[NH2+]CC2)oc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000904350234 634733229 /nfs/dbraw/zinc/73/32/29/634733229.db2.gz IUYMHJZDESLCAV-ZFWWWQNUSA-N 3 2 290.411 0.873 20 0 CCADLP c1cc(N2CC[NH2+]CC2)oc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000904350234 634733238 /nfs/dbraw/zinc/73/32/38/634733238.db2.gz IUYMHJZDESLCAV-ZFWWWQNUSA-N 3 2 290.411 0.873 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1CC[N@@H+]1C ZINC000905147852 634809631 /nfs/dbraw/zinc/80/96/31/634809631.db2.gz IMAFLFYBGPVDSQ-GHMZBOCLSA-N 2 2 251.334 0.275 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1CC[N@H+]1C ZINC000905147852 634809634 /nfs/dbraw/zinc/80/96/34/634809634.db2.gz IMAFLFYBGPVDSQ-GHMZBOCLSA-N 2 2 251.334 0.275 20 0 CCADLP O[C@H](C[NH2+][C@H]1CCn2cc[nH+]c2C1)C1(O)CCCC1 ZINC000905219893 634824930 /nfs/dbraw/zinc/82/49/30/634824930.db2.gz TZQGCOWTIWQBQC-NWDGAFQWSA-N 2 2 265.357 0.454 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@@H]2C[N@@H+](CCO)C[C@H]2C1 ZINC000980272962 631005700 /nfs/dbraw/zinc/00/57/00/631005700.db2.gz IKUFEGSSVIKDNK-MGPQQGTHSA-N 2 2 292.383 0.092 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@@H]2C[N@H+](CCO)C[C@H]2C1 ZINC000980272962 631005706 /nfs/dbraw/zinc/00/57/06/631005706.db2.gz IKUFEGSSVIKDNK-MGPQQGTHSA-N 2 2 292.383 0.092 20 0 CCADLP C[C@H](O)C[N@@H+]1CCCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000981298946 631265272 /nfs/dbraw/zinc/26/52/72/631265272.db2.gz UYNVWRWQJDNRCP-LBPRGKRZSA-N 2 2 280.372 0.257 20 0 CCADLP C[C@H](O)C[N@H+]1CCCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000981298946 631265276 /nfs/dbraw/zinc/26/52/76/631265276.db2.gz UYNVWRWQJDNRCP-LBPRGKRZSA-N 2 2 280.372 0.257 20 0 CCADLP C[C@H](O)C[N@@H+]1CCCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000981298946 631265279 /nfs/dbraw/zinc/26/52/79/631265279.db2.gz UYNVWRWQJDNRCP-LBPRGKRZSA-N 2 2 280.372 0.257 20 0 CCADLP C[C@@H](O)C[N@H+]1CCCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000981668457 631302284 /nfs/dbraw/zinc/30/22/84/631302284.db2.gz OCUSPPQITMNBDU-CYBMUJFWSA-N 2 2 294.399 0.268 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCC[N@@H+](CCCO)CC1 ZINC000981716714 631309714 /nfs/dbraw/zinc/30/97/14/631309714.db2.gz MAPSOEWSQRWWNG-UHFFFAOYSA-N 2 2 280.372 0.190 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCC[N@H+](CCCO)CC1 ZINC000981716714 631309719 /nfs/dbraw/zinc/30/97/19/631309719.db2.gz MAPSOEWSQRWWNG-UHFFFAOYSA-N 2 2 280.372 0.190 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[N@H+](CCCO)CC1 ZINC000982143268 631379389 /nfs/dbraw/zinc/37/93/89/631379389.db2.gz RCBSBAOAVYMKDW-CYBMUJFWSA-N 2 2 294.399 0.505 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[N@@H+](CCCO)CC1 ZINC000982143268 631379393 /nfs/dbraw/zinc/37/93/93/631379393.db2.gz RCBSBAOAVYMKDW-CYBMUJFWSA-N 2 2 294.399 0.505 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925851371 631399883 /nfs/dbraw/zinc/39/98/83/631399883.db2.gz YETRAWSTZDBIIX-YNEHKIRRSA-N 3 2 281.400 0.402 20 0 CCADLP Cc1ncoc1C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000894242002 631622687 /nfs/dbraw/zinc/62/26/87/631622687.db2.gz FWDAEINPEMVPEY-GFCCVEGCSA-N 2 2 280.372 0.660 20 0 CCADLP Cc1ncoc1C[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000894242002 631622690 /nfs/dbraw/zinc/62/26/90/631622690.db2.gz FWDAEINPEMVPEY-GFCCVEGCSA-N 2 2 280.372 0.660 20 0 CCADLP C[C@@H]1CC[N@H+](CCCO)C[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000968544520 650019294 /nfs/dbraw/zinc/01/92/94/650019294.db2.gz PCXHHCZIQPXVQI-OCCSQVGLSA-N 2 2 294.399 0.172 20 0 CCADLP C[C@@H]1CC[N@@H+](CCCO)C[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC000968544520 650019297 /nfs/dbraw/zinc/01/92/97/650019297.db2.gz PCXHHCZIQPXVQI-OCCSQVGLSA-N 2 2 294.399 0.172 20 0 CCADLP C(CN1CCCC1)[NH2+][C@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261994115 631745817 /nfs/dbraw/zinc/74/58/17/631745817.db2.gz TWLFMWYNXRQNOM-QLFBSQMISA-N 2 2 267.417 0.829 20 0 CCADLP C[N@@H+]1CC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000928557547 631988098 /nfs/dbraw/zinc/98/80/98/631988098.db2.gz ZEWGYSDUAJPEDT-ZDUSSCGKSA-N 2 2 271.324 0.701 20 0 CCADLP C[N@H+]1CC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000928557547 631988104 /nfs/dbraw/zinc/98/81/04/631988104.db2.gz ZEWGYSDUAJPEDT-ZDUSSCGKSA-N 2 2 271.324 0.701 20 0 CCADLP C[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C)[NH+]1CCSCC1 ZINC000928559831 631994499 /nfs/dbraw/zinc/99/44/99/631994499.db2.gz ORUGYWCHPDAIDG-QWRGUYRKSA-N 2 2 257.403 0.244 20 0 CCADLP C[C@@H](C(=O)NC[C@@H]1CC[N@H+]1C)[NH+]1CCSCC1 ZINC000928559831 631994505 /nfs/dbraw/zinc/99/45/05/631994505.db2.gz ORUGYWCHPDAIDG-QWRGUYRKSA-N 2 2 257.403 0.244 20 0 CCADLP C[C@H](CC[NH2+][C@@H](C)[C@@H]1CCS(=O)(=O)C1)[NH+](C)C ZINC000895428045 632078578 /nfs/dbraw/zinc/07/85/78/632078578.db2.gz FMCHOVLDLXECLG-GRYCIOLGSA-N 2 2 262.419 0.739 20 0 CCADLP C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CN(C)CC[NH+]1C ZINC000896546296 632276723 /nfs/dbraw/zinc/27/67/23/632276723.db2.gz VCXOVOIBDQBJAA-AJNGGQMLSA-N 2 2 296.459 0.467 20 0 CCADLP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CN(C)CC[NH+]1C ZINC000896546296 632276729 /nfs/dbraw/zinc/27/67/29/632276729.db2.gz VCXOVOIBDQBJAA-AJNGGQMLSA-N 2 2 296.459 0.467 20 0 CCADLP C[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896546296 632276733 /nfs/dbraw/zinc/27/67/33/632276733.db2.gz VCXOVOIBDQBJAA-AJNGGQMLSA-N 2 2 296.459 0.467 20 0 CCADLP C[C@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H]1CN(C)CC[N@H+]1C ZINC000896546296 632276737 /nfs/dbraw/zinc/27/67/37/632276737.db2.gz VCXOVOIBDQBJAA-AJNGGQMLSA-N 2 2 296.459 0.467 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H](C[NH2+]C[C@@H]2CCOC2)C1 ZINC000985171876 632369060 /nfs/dbraw/zinc/36/90/60/632369060.db2.gz VWSMNDPHWAMIPO-IHRRRGAJSA-N 2 2 292.383 0.404 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC[N@H+]1C ZINC000897297961 632471944 /nfs/dbraw/zinc/47/19/44/632471944.db2.gz TWVMRSHTADXECW-DYEKYZERSA-N 2 2 281.400 0.258 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC[N@@H+]1C ZINC000897297961 632471950 /nfs/dbraw/zinc/47/19/50/632471950.db2.gz TWVMRSHTADXECW-DYEKYZERSA-N 2 2 281.400 0.258 20 0 CCADLP O=C(N[C@@H]1CCC[N@@H+](CCO)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001007703433 650088451 /nfs/dbraw/zinc/08/84/51/650088451.db2.gz GVAACDRVPGIMRZ-CHWSQXEVSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(N[C@@H]1CCC[N@H+](CCO)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001007703433 650088454 /nfs/dbraw/zinc/08/84/54/650088454.db2.gz GVAACDRVPGIMRZ-CHWSQXEVSA-N 2 2 292.383 0.018 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@@H]1C ZINC000987423810 632866586 /nfs/dbraw/zinc/86/65/86/632866586.db2.gz XMNDFWOCJJAWLR-GHMZBOCLSA-N 2 2 250.346 0.860 20 0 CCADLP C[C@@H]1[C@H]([NH2+]CC2CC2)CCN1C(=O)Cn1cc[nH+]c1 ZINC000987605206 632884491 /nfs/dbraw/zinc/88/44/91/632884491.db2.gz OLGBBQHZLBZMHU-DGCLKSJQSA-N 2 2 262.357 0.872 20 0 CCADLP CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@H]12 ZINC000990122326 633449354 /nfs/dbraw/zinc/44/93/54/633449354.db2.gz WQJGHHUGXITDDP-VNHYZAJKSA-N 2 2 281.400 0.450 20 0 CCADLP CC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@H]12 ZINC000990122326 633449359 /nfs/dbraw/zinc/44/93/59/633449359.db2.gz WQJGHHUGXITDDP-VNHYZAJKSA-N 2 2 281.400 0.450 20 0 CCADLP CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@H+](C)CCO3)CCC[C@H]12 ZINC000990122326 633449360 /nfs/dbraw/zinc/44/93/60/633449360.db2.gz WQJGHHUGXITDDP-VNHYZAJKSA-N 2 2 281.400 0.450 20 0 CCADLP CC[NH+]1CC[C@]2(NC(=O)[C@H]3C[N@@H+](C)CCO3)CCC[C@H]12 ZINC000990122326 633449364 /nfs/dbraw/zinc/44/93/64/633449364.db2.gz WQJGHHUGXITDDP-VNHYZAJKSA-N 2 2 281.400 0.450 20 0 CCADLP O=C(C[NH+]1CCCC1)N[C@H]1CCC[N@@H+](CCF)C1 ZINC001009516130 650147306 /nfs/dbraw/zinc/14/73/06/650147306.db2.gz MUBATOGTDVXNNL-LBPRGKRZSA-N 2 2 257.353 0.632 20 0 CCADLP O=C(C[NH+]1CCCC1)N[C@H]1CCC[N@H+](CCF)C1 ZINC001009516130 650147309 /nfs/dbraw/zinc/14/73/09/650147309.db2.gz MUBATOGTDVXNNL-LBPRGKRZSA-N 2 2 257.353 0.632 20 0 CCADLP COC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001009347152 650143173 /nfs/dbraw/zinc/14/31/73/650143173.db2.gz PNEHSAUBOJMSRH-DGCLKSJQSA-N 2 2 294.399 0.876 20 0 CCADLP C[C@H]1C[N@H+](CCCNC(=O)Cc2c[nH]c[nH+]2)CCCO1 ZINC000907756589 635198229 /nfs/dbraw/zinc/19/82/29/635198229.db2.gz QJINZIHUIQQLEC-LBPRGKRZSA-N 2 2 280.372 0.569 20 0 CCADLP C[C@H]1C[N@@H+](CCCNC(=O)Cc2c[nH]c[nH+]2)CCCO1 ZINC000907756589 635198236 /nfs/dbraw/zinc/19/82/36/635198236.db2.gz QJINZIHUIQQLEC-LBPRGKRZSA-N 2 2 280.372 0.569 20 0 CCADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)[C@H]1CC[NH+]1C(C)(C)C ZINC000910932180 635854714 /nfs/dbraw/zinc/85/47/14/635854714.db2.gz WSPYTAIICQZQKD-MGPQQGTHSA-N 2 2 297.443 0.773 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)[C@H]1CC[NH+]1C(C)(C)C ZINC000910932180 635854719 /nfs/dbraw/zinc/85/47/19/635854719.db2.gz WSPYTAIICQZQKD-MGPQQGTHSA-N 2 2 297.443 0.773 20 0 CCADLP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000910932180 635854723 /nfs/dbraw/zinc/85/47/23/635854723.db2.gz WSPYTAIICQZQKD-MGPQQGTHSA-N 2 2 297.443 0.773 20 0 CCADLP C[C@@H]1C[NH+](CCO)[C@H](C)CN1C(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000910932180 635854726 /nfs/dbraw/zinc/85/47/26/635854726.db2.gz WSPYTAIICQZQKD-MGPQQGTHSA-N 2 2 297.443 0.773 20 0 CCADLP O=C(NC[C@H]1CCCC[NH2+]1)[C@H]1CCc2c[nH+]cn2C1 ZINC000911715300 636348701 /nfs/dbraw/zinc/34/87/01/636348701.db2.gz WZTYQSLKIPFCEP-NWDGAFQWSA-N 2 2 262.357 0.704 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CCC[NH2+]C1 ZINC000911719692 636349499 /nfs/dbraw/zinc/34/94/99/636349499.db2.gz NPOVZHWPSYGQGQ-YNEHKIRRSA-N 2 2 276.384 0.950 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@@]1(C)C[NH+]2CCC1CC2 ZINC000912375383 636564730 /nfs/dbraw/zinc/56/47/30/636564730.db2.gz GNCYGCFZHZVUNC-HNNXBMFYSA-N 2 2 276.384 0.953 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C12CC[NH+](CC1)C2 ZINC000912397332 636569351 /nfs/dbraw/zinc/56/93/51/636569351.db2.gz YILSQNWJWBNLEM-OLZOCXBDSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C12CC[NH+](CC1)C2 ZINC000912397332 636569354 /nfs/dbraw/zinc/56/93/54/636569354.db2.gz YILSQNWJWBNLEM-OLZOCXBDSA-N 2 2 281.400 0.308 20 0 CCADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)C12CCC[NH+](CCC1)C2 ZINC000912611319 636620750 /nfs/dbraw/zinc/62/07/50/636620750.db2.gz BXSQMVOJJLKKMB-GFCCVEGCSA-N 2 2 292.383 0.446 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@@H+]1CCCO ZINC000947755147 636960309 /nfs/dbraw/zinc/96/03/09/636960309.db2.gz XJAFJMNRURVOMJ-NEPJUHHUSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@H+]1CCCO ZINC000947755147 636960316 /nfs/dbraw/zinc/96/03/16/636960316.db2.gz XJAFJMNRURVOMJ-NEPJUHHUSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H](O)C[NH2+]C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000991902092 637168790 /nfs/dbraw/zinc/16/87/90/637168790.db2.gz RHOBNAIKBAIAIO-LLVKDONJSA-N 2 2 280.372 0.304 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000232112629 637244636 /nfs/dbraw/zinc/24/46/36/637244636.db2.gz PUKDIOLAQJNGMW-RYUDHWBXSA-N 2 2 282.388 0.778 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@@H+]1C ZINC000913877085 637458462 /nfs/dbraw/zinc/45/84/62/637458462.db2.gz VXKPAGBBUNTUMY-OLZOCXBDSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)CC[N@H+]1C ZINC000913877085 637458465 /nfs/dbraw/zinc/45/84/65/637458465.db2.gz VXKPAGBBUNTUMY-OLZOCXBDSA-N 2 2 298.431 0.489 20 0 CCADLP COCC[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC000992533409 637465443 /nfs/dbraw/zinc/46/54/43/637465443.db2.gz NAKLDYPYAXXMEH-HIFRSBDPSA-N 2 2 292.383 0.643 20 0 CCADLP COCC[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC000992533409 637465444 /nfs/dbraw/zinc/46/54/44/637465444.db2.gz NAKLDYPYAXXMEH-HIFRSBDPSA-N 2 2 292.383 0.643 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@H]1[N@H+](CCCO)CC2 ZINC000992536573 637466325 /nfs/dbraw/zinc/46/63/25/637466325.db2.gz RPUZABKGWZIFPA-HIFRSBDPSA-N 2 2 292.383 0.379 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@H]1[N@@H+](CCCO)CC2 ZINC000992536573 637466329 /nfs/dbraw/zinc/46/63/29/637466329.db2.gz RPUZABKGWZIFPA-HIFRSBDPSA-N 2 2 292.383 0.379 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)NC[C@@H]1CC[N@H+]1C ZINC000915730407 637786261 /nfs/dbraw/zinc/78/62/61/637786261.db2.gz BSRSORAFENEITD-NSHDSACASA-N 2 2 251.334 0.195 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000915730407 637786265 /nfs/dbraw/zinc/78/62/65/637786265.db2.gz BSRSORAFENEITD-NSHDSACASA-N 2 2 251.334 0.195 20 0 CCADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC1CC1 ZINC000939413611 638361679 /nfs/dbraw/zinc/36/16/79/638361679.db2.gz OFJCYJRFSUBLDI-CMPLNLGQSA-N 2 2 262.357 0.799 20 0 CCADLP CC1(C)CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1[NH2+]CCO ZINC000995904775 638804279 /nfs/dbraw/zinc/80/42/79/638804279.db2.gz VSKWFKHORVPQCC-LBPRGKRZSA-N 2 2 280.372 0.161 20 0 CCADLP CC1(C)CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CCO ZINC000995904775 638804280 /nfs/dbraw/zinc/80/42/80/638804280.db2.gz VSKWFKHORVPQCC-LBPRGKRZSA-N 2 2 280.372 0.161 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]([NH2+]C[C@H](C)O)C(C)(C)C1 ZINC000996562447 638822237 /nfs/dbraw/zinc/82/22/37/638822237.db2.gz KWPRTUSPOLFCFZ-GXFFZTMASA-N 2 2 294.399 0.468 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CCC([NH2+]CCF)CC1 ZINC000996833391 638834051 /nfs/dbraw/zinc/83/40/51/638834051.db2.gz HTYKNPZBAQJXLB-UHFFFAOYSA-N 2 2 282.363 0.903 20 0 CCADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CCC([NH2+]CCO)CC1 ZINC000996986782 638847337 /nfs/dbraw/zinc/84/73/37/638847337.db2.gz BWAPOIZKRFXXKY-LBPRGKRZSA-N 2 2 292.383 0.403 20 0 CCADLP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]C[C@@H]2CCOC2)C1 ZINC000999917704 639019211 /nfs/dbraw/zinc/01/92/11/639019211.db2.gz WNXGERMZEVWYGQ-HSBZDZAISA-N 2 2 292.383 0.499 20 0 CCADLP CCC[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001000315982 639072067 /nfs/dbraw/zinc/07/20/67/639072067.db2.gz DWQXUXRNZISEFG-NSHDSACASA-N 2 2 250.346 0.943 20 0 CCADLP C[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001000693933 639153852 /nfs/dbraw/zinc/15/38/52/639153852.db2.gz HMMBDPWQRPQXFA-NWDGAFQWSA-N 2 2 294.399 0.649 20 0 CCADLP COCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001003068232 639501047 /nfs/dbraw/zinc/50/10/47/639501047.db2.gz RGCYYXGWFHDPCF-CHWSQXEVSA-N 2 2 292.383 0.740 20 0 CCADLP COCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001003068232 639501052 /nfs/dbraw/zinc/50/10/52/639501052.db2.gz RGCYYXGWFHDPCF-CHWSQXEVSA-N 2 2 292.383 0.740 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc[nH]c(=O)c1 ZINC000922289213 639633411 /nfs/dbraw/zinc/63/34/11/639633411.db2.gz XUOOJWSODYVJNV-LBPRGKRZSA-N 2 2 278.356 0.217 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cc[nH]c(=O)c1 ZINC000922289213 639633418 /nfs/dbraw/zinc/63/34/18/639633418.db2.gz XUOOJWSODYVJNV-LBPRGKRZSA-N 2 2 278.356 0.217 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC1CC[NH+](CCCF)CC1 ZINC001003970809 639659398 /nfs/dbraw/zinc/65/93/98/639659398.db2.gz KIBLDIPZWRRNTP-UHFFFAOYSA-N 2 2 282.363 0.903 20 0 CCADLP COC[C@H](C)[NH+]1CCC(NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001004055025 639670825 /nfs/dbraw/zinc/67/08/25/639670825.db2.gz GEPCPVPUENCOAA-NSHDSACASA-N 2 2 294.399 0.876 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001015287103 650551034 /nfs/dbraw/zinc/55/10/34/650551034.db2.gz URXWCWFGAQDEIY-OAHLLOKOSA-N 2 2 299.378 0.977 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001015287103 650551037 /nfs/dbraw/zinc/55/10/37/650551037.db2.gz URXWCWFGAQDEIY-OAHLLOKOSA-N 2 2 299.378 0.977 20 0 CCADLP c1c[nH+]c([C@@H]2CCC[N@@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)C2)[nH]1 ZINC000923322985 640085135 /nfs/dbraw/zinc/08/51/35/640085135.db2.gz ULBRDFHTVUTJOS-OLZOCXBDSA-N 3 2 276.384 0.968 20 0 CCADLP c1c[nH+]c([C@@H]2CCC[N@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)C2)[nH]1 ZINC000923322985 640085138 /nfs/dbraw/zinc/08/51/38/640085138.db2.gz ULBRDFHTVUTJOS-OLZOCXBDSA-N 3 2 276.384 0.968 20 0 CCADLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CCC[NH2+]C3CC3)C2)nn1 ZINC000923374820 640108959 /nfs/dbraw/zinc/10/89/59/640108959.db2.gz CXDSDNCVMRJUAM-AWEZNQCLSA-N 3 2 278.404 0.516 20 0 CCADLP O=c1[nH]nc(C2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)[nH]1 ZINC000923377331 640110484 /nfs/dbraw/zinc/11/04/84/640110484.db2.gz SGTIVGRGGWZXBO-LLVKDONJSA-N 2 2 293.371 0.068 20 0 CCADLP C[C@@H]1CC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)[C@H](C[NH3+])C1 ZINC000923388388 640118921 /nfs/dbraw/zinc/11/89/21/640118921.db2.gz JHOKBZXSDJOBFL-FRRDWIJNSA-N 3 2 253.390 0.424 20 0 CCADLP C[C@@H]1CC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)[C@H](C[NH3+])C1 ZINC000923388388 640118926 /nfs/dbraw/zinc/11/89/26/640118926.db2.gz JHOKBZXSDJOBFL-FRRDWIJNSA-N 3 2 253.390 0.424 20 0 CCADLP FC1(F)[C@@H]2C[C@@H](CN3CC[NH2+]CC[NH2+]CC3)C[C@@H]21 ZINC000923460409 640143638 /nfs/dbraw/zinc/14/36/38/640143638.db2.gz NHZVTVAGMMUWFI-CNDDSTCGSA-N 2 2 259.344 0.773 20 0 CCADLP FC1(F)[C@@H]2C[C@@H](C[N@@H+]3CCNCC[NH2+]CC3)C[C@@H]21 ZINC000923460409 640143652 /nfs/dbraw/zinc/14/36/52/640143652.db2.gz NHZVTVAGMMUWFI-CNDDSTCGSA-N 2 2 259.344 0.773 20 0 CCADLP FC1(F)[C@@H]2C[C@@H](C[N@H+]3CCNCC[NH2+]CC3)C[C@@H]21 ZINC000923460409 640143658 /nfs/dbraw/zinc/14/36/58/640143658.db2.gz NHZVTVAGMMUWFI-CNDDSTCGSA-N 2 2 259.344 0.773 20 0 CCADLP O[C@@H](CCc1ccccc1)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923460790 640150890 /nfs/dbraw/zinc/15/08/90/640150890.db2.gz QZNVYFIZUCTANI-INIZCTEOSA-N 2 2 277.412 0.475 20 0 CCADLP O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923531304 640180555 /nfs/dbraw/zinc/18/05/55/640180555.db2.gz QXOJQINXFQUYBC-XHSDSOJGSA-N 2 2 298.427 0.761 20 0 CCADLP O[C@H](COC[C@H]1CCCO1)C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923531304 640180559 /nfs/dbraw/zinc/18/05/59/640180559.db2.gz QXOJQINXFQUYBC-XHSDSOJGSA-N 2 2 298.427 0.761 20 0 CCADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CC[NH+](CCO)CC1 ZINC001006292061 640217515 /nfs/dbraw/zinc/21/75/15/640217515.db2.gz LSQQBBDFZYDKGX-UHFFFAOYSA-N 2 2 294.399 0.602 20 0 CCADLP C[C@H]1CCC[N@@H+]1CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000807271467 640821674 /nfs/dbraw/zinc/82/16/74/640821674.db2.gz WNCJROMYRBJAKE-NSHDSACASA-N 2 2 250.346 0.943 20 0 CCADLP C[C@H]1CCC[N@H+]1CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000807271467 640821678 /nfs/dbraw/zinc/82/16/78/640821678.db2.gz WNCJROMYRBJAKE-NSHDSACASA-N 2 2 250.346 0.943 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](CCF)C2)C1 ZINC001015709462 650613437 /nfs/dbraw/zinc/61/34/37/650613437.db2.gz VXYCFHNSYBCMBY-NWDGAFQWSA-N 2 2 257.353 0.488 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](CCF)C2)C1 ZINC001015709462 650613440 /nfs/dbraw/zinc/61/34/40/650613440.db2.gz VXYCFHNSYBCMBY-NWDGAFQWSA-N 2 2 257.353 0.488 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CCF)C2)C1 ZINC001015709462 650613442 /nfs/dbraw/zinc/61/34/42/650613442.db2.gz VXYCFHNSYBCMBY-NWDGAFQWSA-N 2 2 257.353 0.488 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](CCF)C2)C1 ZINC001015709462 650613444 /nfs/dbraw/zinc/61/34/44/650613444.db2.gz VXYCFHNSYBCMBY-NWDGAFQWSA-N 2 2 257.353 0.488 20 0 CCADLP Cc1cnn([C@H]2CC[N@H+](C[C@H](O)C[NH+]3CCCC3)C2)c1 ZINC000810121778 640925997 /nfs/dbraw/zinc/92/59/97/640925997.db2.gz QQIOFRCLFHIYNO-LSDHHAIUSA-N 2 2 278.400 0.895 20 0 CCADLP Cc1cnn([C@H]2CC[N@@H+](C[C@H](O)C[NH+]3CCCC3)C2)c1 ZINC000810121778 640926000 /nfs/dbraw/zinc/92/60/00/640926000.db2.gz QQIOFRCLFHIYNO-LSDHHAIUSA-N 2 2 278.400 0.895 20 0 CCADLP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000820974205 641551360 /nfs/dbraw/zinc/55/13/60/641551360.db2.gz CUEWNRYLQHKKMW-CABCVRRESA-N 2 2 295.427 0.842 20 0 CCADLP CC[C@H](C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1)OC ZINC001015996759 650672446 /nfs/dbraw/zinc/67/24/46/650672446.db2.gz PUKCZCWYSSGVMO-GXTWGEPZSA-N 2 2 294.399 0.578 20 0 CCADLP CC[C@H](C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1)OC ZINC001015996759 650672449 /nfs/dbraw/zinc/67/24/49/650672449.db2.gz PUKCZCWYSSGVMO-GXTWGEPZSA-N 2 2 294.399 0.578 20 0 CCADLP O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cc2c[nH+]ccc2[nH]1 ZINC000827528272 642012853 /nfs/dbraw/zinc/01/28/53/642012853.db2.gz JPMXMWXOXRLGNW-LLVKDONJSA-N 2 2 274.324 0.359 20 0 CCADLP O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1cc2c[nH+]ccc2[nH]1 ZINC000827528272 642012863 /nfs/dbraw/zinc/01/28/63/642012863.db2.gz JPMXMWXOXRLGNW-LLVKDONJSA-N 2 2 274.324 0.359 20 0 CCADLP C[S@](=O)CC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000827838100 642045323 /nfs/dbraw/zinc/04/53/23/642045323.db2.gz TWSXMOYBOJKERT-IBGZPJMESA-N 2 2 288.457 0.799 20 0 CCADLP C[C@H]([C@H](C)NC(=O)c1cccc(C[NH3+])c1)[NH+]1CCOCC1 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DITLIRYAMDRHLP-GWOFURMSSA-N 2 2 266.320 0.720 20 0 CCADLP CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001020314473 651059092 /nfs/dbraw/zinc/05/90/92/651059092.db2.gz QNAACJXLXZXFSV-IJLUTSLNSA-N 2 2 262.357 0.702 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001020314885 651059179 /nfs/dbraw/zinc/05/91/79/651059179.db2.gz XDJNDHQTSFQSBE-RNJOBUHISA-N 2 2 292.383 0.063 20 0 CCADLP [NH3+][C@H]1C[C@H](CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000870972632 646068543 /nfs/dbraw/zinc/06/85/43/646068543.db2.gz NYSPRFHYMREIEN-OBJOEFQTSA-N 2 2 281.400 0.483 20 0 CCADLP [NH3+][C@H]1C[C@H](CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000870972632 646068547 /nfs/dbraw/zinc/06/85/47/646068547.db2.gz NYSPRFHYMREIEN-OBJOEFQTSA-N 2 2 281.400 0.483 20 0 CCADLP C[C@H]([NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)C1CC[NH2+]CC1 ZINC000873272272 646369084 /nfs/dbraw/zinc/36/90/84/646369084.db2.gz RJBJGWIPJAFRLS-CQDKDKBSSA-N 3 2 267.417 0.731 20 0 CCADLP 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XQTSWJNZGDOIEU-KTLBGCOUSA-N 2 2 255.362 0.118 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000876930435 646699370 /nfs/dbraw/zinc/69/93/70/646699370.db2.gz WWQQPIMITTZHSS-LLVKDONJSA-N 2 2 294.380 0.709 20 0 CCADLP [NH3+][C@@H]1CCCCCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C1 ZINC000877126283 646739344 /nfs/dbraw/zinc/73/93/44/646739344.db2.gz HQCFUEYIQFJJJE-SNVBAGLBSA-N 2 2 277.372 0.399 20 0 CCADLP [NH3+]CC12CCC(CC1)N2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000877186993 646752672 /nfs/dbraw/zinc/75/26/72/646752672.db2.gz ZMSWYTGNVASFAY-BZUNDVKYSA-N 2 2 274.368 0.928 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877246455 646766722 /nfs/dbraw/zinc/76/67/22/646766722.db2.gz WBVRECWOQQKRMN-ZSBIGDGJSA-N 2 2 262.357 0.907 20 0 CCADLP C[C@@H](NC(=O)/C=C/C[NH+]1CCOCC1)C1CC[NH2+]CC1 ZINC000877252872 646769178 /nfs/dbraw/zinc/76/91/78/646769178.db2.gz ZYMYTGFIDIJVFJ-YWVDXFKGSA-N 2 2 281.400 0.379 20 0 CCADLP C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC[NH2+]CC1 ZINC000877254223 646770100 /nfs/dbraw/zinc/77/01/00/646770100.db2.gz OMGFVKCSAUEJSW-YPMHNXCESA-N 2 2 276.384 0.950 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C1(C[NH3+])CCCC1 ZINC000877433098 646814502 /nfs/dbraw/zinc/81/45/02/646814502.db2.gz JEDRSXCTLQLPAO-ZDUSSCGKSA-N 2 2 283.416 0.733 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C1(C[NH3+])CCCC1 ZINC000877433098 646814504 /nfs/dbraw/zinc/81/45/04/646814504.db2.gz JEDRSXCTLQLPAO-ZDUSSCGKSA-N 2 2 283.416 0.733 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H](O)CC(C)(C)O ZINC000878319004 646892140 /nfs/dbraw/zinc/89/21/40/646892140.db2.gz HBIGTNWTOHKQFV-LBPRGKRZSA-N 2 2 255.362 0.727 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H](O)CC(C)(C)O ZINC000878319004 646892141 /nfs/dbraw/zinc/89/21/41/646892141.db2.gz HBIGTNWTOHKQFV-LBPRGKRZSA-N 2 2 255.362 0.727 20 0 CCADLP NC(=O)C1([NH+]2CCCCC2)CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000880252915 647175349 /nfs/dbraw/zinc/17/53/49/647175349.db2.gz GTTFZSQDHWWBFN-AWEZNQCLSA-N 2 2 295.427 0.563 20 0 CCADLP C[C@@H]1C[N@@H+]([C@H]2CCC(=O)NC2=O)CCN1c1cc[nH+]cc1 ZINC000880258810 647177404 /nfs/dbraw/zinc/17/74/04/647177404.db2.gz COONZRZEOCARNL-YPMHNXCESA-N 2 2 288.351 0.397 20 0 CCADLP C[C@@H]1C[N@H+]([C@H]2CCC(=O)NC2=O)CCN1c1cc[nH+]cc1 ZINC000880258810 647177408 /nfs/dbraw/zinc/17/74/08/647177408.db2.gz COONZRZEOCARNL-YPMHNXCESA-N 2 2 288.351 0.397 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000880526784 647220658 /nfs/dbraw/zinc/22/06/58/647220658.db2.gz NYCHRRIJSCVZJL-WCQYABFASA-N 2 2 262.357 0.563 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000880526784 647220659 /nfs/dbraw/zinc/22/06/59/647220659.db2.gz NYCHRRIJSCVZJL-WCQYABFASA-N 2 2 262.357 0.563 20 0 CCADLP [NH3+]CC[N@H+](CC[C@H]1CCCC1(F)F)C[C@H](O)CO ZINC000883434803 647526309 /nfs/dbraw/zinc/52/63/09/647526309.db2.gz BFOSSYAZANTOSM-MNOVXSKESA-N 2 2 266.332 0.426 20 0 CCADLP [NH3+]CC[N@@H+](CC[C@H]1CCCC1(F)F)C[C@H](O)CO ZINC000883434803 647526313 /nfs/dbraw/zinc/52/63/13/647526313.db2.gz BFOSSYAZANTOSM-MNOVXSKESA-N 2 2 266.332 0.426 20 0 CCADLP [NH3+][C@@H](CC1CC1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000884317494 647706106 /nfs/dbraw/zinc/70/61/06/647706106.db2.gz WGDGDYSDSFLLSE-STQMWFEESA-N 2 2 274.368 0.904 20 0 CCADLP Cn1cc([C@@H]2C[N@H+](C[C@H]3C[C@]34CCOC4)C[C@H]2[NH3+])cn1 ZINC000886840209 648024519 /nfs/dbraw/zinc/02/45/19/648024519.db2.gz WUIHZVIOUZQGOZ-BARDWOONSA-N 2 2 276.384 0.573 20 0 CCADLP Cn1cc([C@@H]2C[N@@H+](C[C@H]3C[C@]34CCOC4)C[C@H]2[NH3+])cn1 ZINC000886840209 648024527 /nfs/dbraw/zinc/02/45/27/648024527.db2.gz WUIHZVIOUZQGOZ-BARDWOONSA-N 2 2 276.384 0.573 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887130419 648072554 /nfs/dbraw/zinc/07/25/54/648072554.db2.gz CZMNJLVQDCRNKY-QWRGUYRKSA-N 2 2 291.355 0.176 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887130419 648072558 /nfs/dbraw/zinc/07/25/58/648072558.db2.gz CZMNJLVQDCRNKY-QWRGUYRKSA-N 2 2 291.355 0.176 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889769661 648250361 /nfs/dbraw/zinc/25/03/61/648250361.db2.gz MPZFLPYDXRFJLJ-ZIAGYGMSSA-N 2 2 292.383 0.331 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889769661 648250365 /nfs/dbraw/zinc/25/03/65/648250365.db2.gz MPZFLPYDXRFJLJ-ZIAGYGMSSA-N 2 2 292.383 0.331 20 0 CCADLP Cc1nonc1[C@@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000924950476 648390728 /nfs/dbraw/zinc/39/07/28/648390728.db2.gz PVRICNKWXGKNML-VXGBXAGGSA-N 2 2 281.404 0.912 20 0 CCADLP C[C@H]1[C@H](NC(=O)NCC[NH+]2C[C@@H](C)OC[C@H]2C)CC[N@@H+]1C ZINC000925344267 648422850 /nfs/dbraw/zinc/42/28/50/648422850.db2.gz SHRZGDLUNXMTDG-YIYPIFLZSA-N 2 2 298.431 0.487 20 0 CCADLP C[C@H]1[C@H](NC(=O)NCC[NH+]2C[C@@H](C)OC[C@H]2C)CC[N@H+]1C ZINC000925344267 648422854 /nfs/dbraw/zinc/42/28/54/648422854.db2.gz SHRZGDLUNXMTDG-YIYPIFLZSA-N 2 2 298.431 0.487 20 0 CCADLP C[C@H]1[C@H](NC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)CC[NH+]1C ZINC000925344267 648422855 /nfs/dbraw/zinc/42/28/55/648422855.db2.gz SHRZGDLUNXMTDG-YIYPIFLZSA-N 2 2 298.431 0.487 20 0 CCADLP C[C@H]1[C@H](NC(=O)NCC[N@H+]2C[C@@H](C)OC[C@H]2C)CC[NH+]1C ZINC000925344267 648422859 /nfs/dbraw/zinc/42/28/59/648422859.db2.gz SHRZGDLUNXMTDG-YIYPIFLZSA-N 2 2 298.431 0.487 20 0 CCADLP C[C@H]1[C@H](NC(=O)NCC[NH+](C)CCC[NH+](C)C)CC[N@@H+]1C ZINC000925344745 648423172 /nfs/dbraw/zinc/42/31/72/648423172.db2.gz VAGFJABJGHBHCW-UONOGXRCSA-N 3 2 299.463 0.262 20 0 CCADLP C[C@H]1[C@H](NC(=O)NCC[NH+](C)CCC[NH+](C)C)CC[N@H+]1C ZINC000925344745 648423176 /nfs/dbraw/zinc/42/31/76/648423176.db2.gz VAGFJABJGHBHCW-UONOGXRCSA-N 3 2 299.463 0.262 20 0 CCADLP C[C@H]1[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)CC[NH+]1C ZINC000925344745 648423179 /nfs/dbraw/zinc/42/31/79/648423179.db2.gz VAGFJABJGHBHCW-UONOGXRCSA-N 3 2 299.463 0.262 20 0 CCADLP C[C@H]1[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC[NH+]1C ZINC000925344745 648423181 /nfs/dbraw/zinc/42/31/81/648423181.db2.gz VAGFJABJGHBHCW-UONOGXRCSA-N 3 2 299.463 0.262 20 0 CCADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925416862 648431168 /nfs/dbraw/zinc/43/11/68/648431168.db2.gz XQRBEZMTBQVBGH-KGLIPLIRSA-N 2 2 297.447 0.016 20 0 CCADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1CC[N@H+]1C ZINC000925416862 648431173 /nfs/dbraw/zinc/43/11/73/648431173.db2.gz XQRBEZMTBQVBGH-KGLIPLIRSA-N 2 2 297.447 0.016 20 0 CCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925416862 648431175 /nfs/dbraw/zinc/43/11/75/648431175.db2.gz XQRBEZMTBQVBGH-KGLIPLIRSA-N 2 2 297.447 0.016 20 0 CCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1CC[N@H+]1C ZINC000925416862 648431180 /nfs/dbraw/zinc/43/11/80/648431180.db2.gz XQRBEZMTBQVBGH-KGLIPLIRSA-N 2 2 297.447 0.016 20 0 CCADLP C[C@H](CN1CCCC1=O)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925504321 648439770 /nfs/dbraw/zinc/43/97/70/648439770.db2.gz LRRDMLBXJLJMMG-NEPJUHHUSA-N 2 2 251.374 0.872 20 0 CCADLP CS(=O)(=O)C1CCC(C[NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925799185 648462418 /nfs/dbraw/zinc/46/24/18/648462418.db2.gz NJQHFFBHKLIQKS-OTTFEQOBSA-N 2 2 290.429 0.168 20 0 CCADLP Cc1cccc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)n1 ZINC000926090519 648485571 /nfs/dbraw/zinc/48/55/71/648485571.db2.gz RFPCQUOSUHLQRW-UHFFFAOYSA-N 2 2 277.372 0.935 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cnnn1C ZINC000926288656 648495571 /nfs/dbraw/zinc/49/55/71/648495571.db2.gz WIVIZFQIEMDDCP-QWHCGFSZSA-N 2 2 281.404 0.967 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cc[nH]c(=O)c1 ZINC000926750813 648524603 /nfs/dbraw/zinc/52/46/03/648524603.db2.gz VAHVHOTVRBVLKC-AAEUAGOBSA-N 2 2 292.383 0.778 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cc[nH]c(=O)c1 ZINC000926750813 648524608 /nfs/dbraw/zinc/52/46/08/648524608.db2.gz VAHVHOTVRBVLKC-AAEUAGOBSA-N 2 2 292.383 0.778 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cc[nH]c(=O)c1 ZINC000926750814 648524630 /nfs/dbraw/zinc/52/46/30/648524630.db2.gz VAHVHOTVRBVLKC-YPMHNXCESA-N 2 2 292.383 0.778 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cc[nH]c(=O)c1 ZINC000926750814 648524633 /nfs/dbraw/zinc/52/46/33/648524633.db2.gz VAHVHOTVRBVLKC-YPMHNXCESA-N 2 2 292.383 0.778 20 0 CCADLP c1cn2c([nH+]1)N(CCCN1CCn3cc[nH+]c31)CC2 ZINC000931521723 649000797 /nfs/dbraw/zinc/00/07/97/649000797.db2.gz OCEVKUMKJVMTES-UHFFFAOYSA-N 2 2 258.329 0.810 20 0 CCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H](O)C1(O)CCOCC1 ZINC000931719313 649022412 /nfs/dbraw/zinc/02/24/12/649022412.db2.gz JOJBGFKRHBNGBD-MJBXVCDLSA-N 2 2 284.400 0.057 20 0 CCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H](O)C1(O)CCOCC1 ZINC000931719313 649022413 /nfs/dbraw/zinc/02/24/13/649022413.db2.gz JOJBGFKRHBNGBD-MJBXVCDLSA-N 2 2 284.400 0.057 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@H](O)C1(O)CCOCC1 ZINC000931719313 649022416 /nfs/dbraw/zinc/02/24/16/649022416.db2.gz JOJBGFKRHBNGBD-MJBXVCDLSA-N 2 2 284.400 0.057 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@H](O)C1(O)CCOCC1 ZINC000931719313 649022419 /nfs/dbraw/zinc/02/24/19/649022419.db2.gz JOJBGFKRHBNGBD-MJBXVCDLSA-N 2 2 284.400 0.057 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CCO)[C@H](C)C1 ZINC000947980933 649358266 /nfs/dbraw/zinc/35/82/66/649358266.db2.gz SDODHOKRWDYFOY-ZYHUDNBSSA-N 2 2 280.372 0.222 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CCO)[C@H](C)C1 ZINC000947980933 649358272 /nfs/dbraw/zinc/35/82/72/649358272.db2.gz SDODHOKRWDYFOY-ZYHUDNBSSA-N 2 2 280.372 0.222 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000949427883 649424442 /nfs/dbraw/zinc/42/44/42/649424442.db2.gz DRMCQLPJFJPJRX-UHFFFAOYSA-N 2 2 276.384 0.907 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000950732193 649490279 /nfs/dbraw/zinc/49/02/79/649490279.db2.gz DQIWQQOYWQIQAE-ZDUSSCGKSA-N 2 2 292.383 0.523 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCO[C@H](C)C2)[C@@H](C)C1 ZINC000245417037 649642168 /nfs/dbraw/zinc/64/21/68/649642168.db2.gz FQWLMRXBZCFOFL-ZNMIVQPWSA-N 2 2 297.443 0.896 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCO[C@H](C)C2)[C@@H](C)C1 ZINC000245417037 649642173 /nfs/dbraw/zinc/64/21/73/649642173.db2.gz FQWLMRXBZCFOFL-ZNMIVQPWSA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCO[C@H](C)C2)[C@@H](C)C1 ZINC000245417037 649642175 /nfs/dbraw/zinc/64/21/75/649642175.db2.gz FQWLMRXBZCFOFL-ZNMIVQPWSA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCO[C@H](C)C2)[C@@H](C)C1 ZINC000245417037 649642180 /nfs/dbraw/zinc/64/21/80/649642180.db2.gz FQWLMRXBZCFOFL-ZNMIVQPWSA-N 2 2 297.443 0.896 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[NH+](CCC2CC2)CC1 ZINC000957895881 649768973 /nfs/dbraw/zinc/76/89/73/649768973.db2.gz SVVHJXLNTOVETH-UHFFFAOYSA-N 2 2 262.357 0.827 20 0 CCADLP CN(C)c1cc(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)nc[nH+]1 ZINC001164671280 719369961 /nfs/dbraw/zinc/36/99/61/719369961.db2.gz VVMYYHFZENECMV-QWRGUYRKSA-N 2 2 263.345 0.062 20 0 CCADLP CN(C)c1cc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)nc[nH+]1 ZINC001164671280 719369964 /nfs/dbraw/zinc/36/99/64/719369964.db2.gz VVMYYHFZENECMV-QWRGUYRKSA-N 2 2 263.345 0.062 20 0 CCADLP C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1cc[nH+]c(N)n1 ZINC001164925654 721873726 /nfs/dbraw/zinc/87/37/26/721873726.db2.gz PANUWQPEQZKEDS-VXGBXAGGSA-N 2 2 276.388 0.273 20 0 CCADLP C[NH+](C)[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000277353996 721886799 /nfs/dbraw/zinc/88/67/99/721886799.db2.gz GMPUDFOWRUAUQL-ZDUSSCGKSA-N 2 2 291.399 0.844 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001114956347 790382618 /nfs/dbraw/zinc/38/26/18/790382618.db2.gz FUJNZFXHZJPPSD-SCUASFONSA-N 2 2 292.383 0.017 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001114956347 790382632 /nfs/dbraw/zinc/38/26/32/790382632.db2.gz FUJNZFXHZJPPSD-SCUASFONSA-N 2 2 292.383 0.017 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001114956347 790382643 /nfs/dbraw/zinc/38/26/43/790382643.db2.gz FUJNZFXHZJPPSD-SCUASFONSA-N 2 2 292.383 0.017 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001114956347 790382652 /nfs/dbraw/zinc/38/26/52/790382652.db2.gz FUJNZFXHZJPPSD-SCUASFONSA-N 2 2 292.383 0.017 20 0 CCADLP CC(=O)N1CC[N@@H+](C[C@H]2CCC[NH+](C)C2)C[C@H]1C ZINC001208613942 790432672 /nfs/dbraw/zinc/43/26/72/790432672.db2.gz BXNXHNHOFFOFQI-OCCSQVGLSA-N 2 2 253.390 0.881 20 0 CCADLP CC(=O)N1CC[N@H+](C[C@H]2CCC[NH+](C)C2)C[C@H]1C ZINC001208613942 790432678 /nfs/dbraw/zinc/43/26/78/790432678.db2.gz BXNXHNHOFFOFQI-OCCSQVGLSA-N 2 2 253.390 0.881 20 0 CCADLP CC(=O)N1CC[NH+](C[C@H]2CCC[N@H+](C)C2)C[C@H]1C ZINC001208613942 790432683 /nfs/dbraw/zinc/43/26/83/790432683.db2.gz BXNXHNHOFFOFQI-OCCSQVGLSA-N 2 2 253.390 0.881 20 0 CCADLP CC(=O)N1CC[NH+](C[C@H]2CCC[N@@H+](C)C2)C[C@H]1C ZINC001208613942 790432686 /nfs/dbraw/zinc/43/26/86/790432686.db2.gz BXNXHNHOFFOFQI-OCCSQVGLSA-N 2 2 253.390 0.881 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](C[C@@H]2CCC[NH+](C)C2)CCC1=O ZINC001208618071 790434688 /nfs/dbraw/zinc/43/46/88/790434688.db2.gz RMZUKGHGBPEXBZ-OAHLLOKOSA-N 3 2 296.459 0.424 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](C[C@@H]2CCC[NH+](C)C2)CCC1=O ZINC001208618071 790434693 /nfs/dbraw/zinc/43/46/93/790434693.db2.gz RMZUKGHGBPEXBZ-OAHLLOKOSA-N 3 2 296.459 0.424 20 0 CCADLP C[NH+](C)CCN1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)CCC1=O ZINC001208618071 790434699 /nfs/dbraw/zinc/43/46/99/790434699.db2.gz RMZUKGHGBPEXBZ-OAHLLOKOSA-N 3 2 296.459 0.424 20 0 CCADLP C[NH+](C)CCN1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)CCC1=O ZINC001208618071 790434702 /nfs/dbraw/zinc/43/47/02/790434702.db2.gz RMZUKGHGBPEXBZ-OAHLLOKOSA-N 3 2 296.459 0.424 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000358120694 790475005 /nfs/dbraw/zinc/47/50/05/790475005.db2.gz QRXSGWFBILNPMB-RYUDHWBXSA-N 2 2 277.372 0.846 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358120694 790475011 /nfs/dbraw/zinc/47/50/11/790475011.db2.gz QRXSGWFBILNPMB-RYUDHWBXSA-N 2 2 277.372 0.846 20 0 CCADLP COCCC[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209838816 790694634 /nfs/dbraw/zinc/69/46/34/790694634.db2.gz ZMQLDLOCCRIWOJ-LBPRGKRZSA-N 2 2 280.372 0.569 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]CC1CCC1 ZINC001167345948 790933908 /nfs/dbraw/zinc/93/39/08/790933908.db2.gz DOJUEVWJYRGRGL-UHFFFAOYSA-N 2 2 250.346 0.848 20 0 CCADLP CCc1nccc(C[NH+]2CCN(CC[NH+](C)C)CC2)n1 ZINC001207083440 791003908 /nfs/dbraw/zinc/00/39/08/791003908.db2.gz ZJBFLDQOSVOVCB-UHFFFAOYSA-N 2 2 277.416 0.718 20 0 CCADLP CC[NH2+][C@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001266634730 791063808 /nfs/dbraw/zinc/06/38/08/791063808.db2.gz CNUGSSBKAQWDPP-XYPYZODXSA-N 2 2 250.346 0.609 20 0 CCADLP Cc1cc(C[N@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)on1 ZINC001277606168 805892763 /nfs/dbraw/zinc/89/27/63/805892763.db2.gz AGTHYHUHYGZKCM-GJZGRUSLSA-N 2 2 294.399 0.430 20 0 CCADLP Cc1cc(C[N@@H+]2C[C@@H]3OCCN(CC[NH+](C)C)[C@H]3C2)on1 ZINC001277606168 805892773 /nfs/dbraw/zinc/89/27/73/805892773.db2.gz AGTHYHUHYGZKCM-GJZGRUSLSA-N 2 2 294.399 0.430 20 0 CCADLP Cc1ncncc1C[NH+]1CC2(C1)CCN(CC[NH+](C)C)C2 ZINC001277608728 805896106 /nfs/dbraw/zinc/89/61/06/805896106.db2.gz GAOFOBSPTCZFDH-UHFFFAOYSA-N 2 2 289.427 0.854 20 0 CCADLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccns1 ZINC001232192665 805906717 /nfs/dbraw/zinc/90/67/17/805906717.db2.gz UAGYSPMUUIZEPK-UHFFFAOYSA-N 2 2 254.403 0.822 20 0 CCADLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccns1 ZINC001232192665 805906727 /nfs/dbraw/zinc/90/67/27/805906727.db2.gz UAGYSPMUUIZEPK-UHFFFAOYSA-N 2 2 254.403 0.822 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)CC1 ZINC001277632663 805910420 /nfs/dbraw/zinc/91/04/20/805910420.db2.gz ZNQQXPRLJPBQBE-GASCZTMLSA-N 3 2 294.443 0.034 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)CC1 ZINC001277632663 805910426 /nfs/dbraw/zinc/91/04/26/805910426.db2.gz ZNQQXPRLJPBQBE-GASCZTMLSA-N 3 2 294.443 0.034 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)CC1 ZINC001277632663 805910431 /nfs/dbraw/zinc/91/04/31/805910431.db2.gz ZNQQXPRLJPBQBE-GASCZTMLSA-N 3 2 294.443 0.034 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)CC1 ZINC001277632663 805910436 /nfs/dbraw/zinc/91/04/36/805910436.db2.gz ZNQQXPRLJPBQBE-GASCZTMLSA-N 3 2 294.443 0.034 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(N)nc2)C1 ZINC001232371745 805931522 /nfs/dbraw/zinc/93/15/22/805931522.db2.gz WEXIEOXGSDOPOV-CYBMUJFWSA-N 2 2 291.399 0.306 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(N)nc2)C1 ZINC001232371745 805931532 /nfs/dbraw/zinc/93/15/32/805931532.db2.gz WEXIEOXGSDOPOV-CYBMUJFWSA-N 2 2 291.399 0.306 20 0 CCADLP C[C@H]1CC[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)C[NH2+]1 ZINC000398957873 791271879 /nfs/dbraw/zinc/27/18/79/791271879.db2.gz JUEBQESJPJDVLE-UONOGXRCSA-N 3 2 254.422 0.354 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCCC[C@@H]1C[NH2+]CCF ZINC001266880947 791319503 /nfs/dbraw/zinc/31/95/03/791319503.db2.gz MPQAWECEKPJHMP-LLVKDONJSA-N 2 2 268.336 0.892 20 0 CCADLP Cc1nnc(C[NH2+]CCN(C)C(=O)C[N@@H+](C)C(C)C)o1 ZINC001267117655 791560346 /nfs/dbraw/zinc/56/03/46/791560346.db2.gz UPKOCNKTEWRZOH-UHFFFAOYSA-N 2 2 283.376 0.266 20 0 CCADLP Cc1nnc(C[NH2+]CCN(C)C(=O)C[N@H+](C)C(C)C)o1 ZINC001267117655 791560354 /nfs/dbraw/zinc/56/03/54/791560354.db2.gz UPKOCNKTEWRZOH-UHFFFAOYSA-N 2 2 283.376 0.266 20 0 CCADLP CN(CC[NH2+]Cc1ccccn1)C(=O)Cn1cc[nH+]c1 ZINC001267143959 791588665 /nfs/dbraw/zinc/58/86/65/791588665.db2.gz VNWLAQVPWYQUJV-UHFFFAOYSA-N 2 2 273.340 0.526 20 0 CCADLP CN1CCOc2c1cn[nH+]c2NCc1cc[nH+]c(N)c1 ZINC001167616865 791635048 /nfs/dbraw/zinc/63/50/48/791635048.db2.gz HBXTYRKGYIGXQU-UHFFFAOYSA-N 2 2 272.312 0.895 20 0 CCADLP C[C@@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)[C@@H]1CC[NH3+] ZINC000404302931 791689478 /nfs/dbraw/zinc/68/94/78/791689478.db2.gz QKDVFGNWKSTEAR-RBSFLKMASA-N 3 2 269.433 0.892 20 0 CCADLP C[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)[C@@H]1CC[NH3+] ZINC000404302931 791689487 /nfs/dbraw/zinc/68/94/87/791689487.db2.gz QKDVFGNWKSTEAR-RBSFLKMASA-N 3 2 269.433 0.892 20 0 CCADLP [NH3+][C@@H]1NC(CN2CCCC[C@]23CC[NH2+]C3)=CS1 ZINC001235126051 806372225 /nfs/dbraw/zinc/37/22/25/806372225.db2.gz RGBOSKNEYZQABD-VXGBXAGGSA-N 2 2 254.403 0.625 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+]1CC[C@@]2(C1)CCC[C@H](CNC(=O)N(C)C)O2 ZINC001235545364 806451837 /nfs/dbraw/zinc/45/18/37/806451837.db2.gz DSPLTKVSPCRLAY-UMVBOHGHSA-N 2 2 298.431 0.618 20 0 CCADLP C[C@@H]([NH3+])C[N@H+]1CC[C@@]2(C1)CCC[C@H](CNC(=O)N(C)C)O2 ZINC001235545364 806451842 /nfs/dbraw/zinc/45/18/42/806451842.db2.gz DSPLTKVSPCRLAY-UMVBOHGHSA-N 2 2 298.431 0.618 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1cccnc1 ZINC001235551762 806455610 /nfs/dbraw/zinc/45/56/10/806455610.db2.gz JRAFZFNTIAPUQI-NWANDNLSSA-N 2 2 288.395 0.994 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1cccnc1 ZINC001235551762 806455613 /nfs/dbraw/zinc/45/56/13/806455613.db2.gz JRAFZFNTIAPUQI-NWANDNLSSA-N 2 2 288.395 0.994 20 0 CCADLP [NH3+]CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cnccn1)C2 ZINC001235574484 806462275 /nfs/dbraw/zinc/46/22/75/806462275.db2.gz NJVKGQLIUGHNOQ-HNNXBMFYSA-N 2 2 289.383 0.363 20 0 CCADLP [NH3+]CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cnccn1)C2 ZINC001235574484 806462281 /nfs/dbraw/zinc/46/22/81/806462281.db2.gz NJVKGQLIUGHNOQ-HNNXBMFYSA-N 2 2 289.383 0.363 20 0 CCADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](CCO)C[C@H]3C2)cn1 ZINC001235597283 806469311 /nfs/dbraw/zinc/46/93/11/806469311.db2.gz MWIYSHOEIKVDQX-ZIAGYGMSSA-N 2 2 264.373 0.166 20 0 CCADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](CCO)C[C@H]3C2)cn1 ZINC001235597283 806469317 /nfs/dbraw/zinc/46/93/17/806469317.db2.gz MWIYSHOEIKVDQX-ZIAGYGMSSA-N 2 2 264.373 0.166 20 0 CCADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](CCO)C[C@H]3C2)cn1 ZINC001235597283 806469320 /nfs/dbraw/zinc/46/93/20/806469320.db2.gz MWIYSHOEIKVDQX-ZIAGYGMSSA-N 2 2 264.373 0.166 20 0 CCADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](CCO)C[C@H]3C2)cn1 ZINC001235597283 806469324 /nfs/dbraw/zinc/46/93/24/806469324.db2.gz MWIYSHOEIKVDQX-ZIAGYGMSSA-N 2 2 264.373 0.166 20 0 CCADLP [NH3+]CC[NH+]1CCC2(CC[C@H](C(=O)N3CCCC3)OC2)CC1 ZINC001235626488 806477514 /nfs/dbraw/zinc/47/75/14/806477514.db2.gz UHBVRTQPYWGLGW-CQSZACIVSA-N 2 2 295.427 0.829 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+]1CC[C@@]2(CC(=O)N(c3ccccn3)C2)C1 ZINC001235634731 806479116 /nfs/dbraw/zinc/47/91/16/806479116.db2.gz XGSSOCRPDOEDNW-IUODEOHRSA-N 2 2 274.368 0.858 20 0 CCADLP C[C@@H]([NH3+])C[N@H+]1CC[C@@]2(CC(=O)N(c3ccccn3)C2)C1 ZINC001235634731 806479119 /nfs/dbraw/zinc/47/91/19/806479119.db2.gz XGSSOCRPDOEDNW-IUODEOHRSA-N 2 2 274.368 0.858 20 0 CCADLP [NH3+]CC[NH+]1CCC2(CC1)C(=O)N[C@H]2c1ccccc1 ZINC001235652157 806484000 /nfs/dbraw/zinc/48/40/00/806484000.db2.gz FLSAXGPFPYGEJP-ZDUSSCGKSA-N 2 2 259.353 0.898 20 0 CCADLP CC(C)(CO)C[N@@H+]1CC[C@H]2CN(CCn3cc[nH+]c3)C[C@H]21 ZINC001277967957 806502077 /nfs/dbraw/zinc/50/20/77/806502077.db2.gz NGANMHCWTIRTPX-LSDHHAIUSA-N 2 2 292.427 0.908 20 0 CCADLP CC(C)(CO)C[N@H+]1CC[C@H]2CN(CCn3cc[nH+]c3)C[C@H]21 ZINC001277967957 806502082 /nfs/dbraw/zinc/50/20/82/806502082.db2.gz NGANMHCWTIRTPX-LSDHHAIUSA-N 2 2 292.427 0.908 20 0 CCADLP [NH3+][C@@H]1NC(CN2CC[NH2+]C[C@H]2Cc2ccccc2)=CS1 ZINC001235847415 806509832 /nfs/dbraw/zinc/50/98/32/806509832.db2.gz HYNQLHVARLTTAL-HUUCEWRRSA-N 2 2 290.436 0.923 20 0 CCADLP COC(=O)[C@H]1C[C@@H](C)C[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001235893625 806514922 /nfs/dbraw/zinc/51/49/22/806514922.db2.gz XPSUSDPIUTZAFZ-WOPDTQHZSA-N 2 2 270.373 0.842 20 0 CCADLP COC(=O)[C@H]1C[C@@H](C)C[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001235893625 806514924 /nfs/dbraw/zinc/51/49/24/806514924.db2.gz XPSUSDPIUTZAFZ-WOPDTQHZSA-N 2 2 270.373 0.842 20 0 CCADLP COC(=O)c1cc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])ccn1 ZINC001235999996 806526810 /nfs/dbraw/zinc/52/68/10/806526810.db2.gz PJNVBNMYPSUARJ-ONXXMXGDSA-N 2 2 291.351 0.274 20 0 CCADLP COC(=O)c1cc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])ccn1 ZINC001235999996 806526805 /nfs/dbraw/zinc/52/68/05/806526805.db2.gz PJNVBNMYPSUARJ-ONXXMXGDSA-N 2 2 291.351 0.274 20 0 CCADLP CN(C)c1ccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cn1 ZINC001235995414 806525468 /nfs/dbraw/zinc/52/54/68/806525468.db2.gz SIIWXKUYKPTIHW-NNQSOWQGSA-N 2 2 276.384 0.553 20 0 CCADLP CN(C)c1ccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cn1 ZINC001235995414 806525478 /nfs/dbraw/zinc/52/54/78/806525478.db2.gz SIIWXKUYKPTIHW-NNQSOWQGSA-N 2 2 276.384 0.553 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC3(COC(=O)N3)CC2)O1 ZINC001236090211 806542836 /nfs/dbraw/zinc/54/28/36/806542836.db2.gz IMIYCPPWALEJBK-JTQLQIEISA-N 2 2 269.345 0.285 20 0 CCADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001236244491 806555924 /nfs/dbraw/zinc/55/59/24/806555924.db2.gz BTRQASYDJRUABF-GFCCVEGCSA-N 2 2 258.329 0.790 20 0 CCADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001236244491 806555918 /nfs/dbraw/zinc/55/59/18/806555918.db2.gz BTRQASYDJRUABF-GFCCVEGCSA-N 2 2 258.329 0.790 20 0 CCADLP CCOC(=O)C[N@H+](CCC[NH3+])CC1(C)CC[NH2+]CC1 ZINC001236305558 806564388 /nfs/dbraw/zinc/56/43/88/806564388.db2.gz IXNGBOKMHSFLIO-UHFFFAOYSA-N 3 2 271.405 0.590 20 0 CCADLP CCOC(=O)C[N@@H+](CCC[NH3+])CC1(C)CC[NH2+]CC1 ZINC001236305558 806564392 /nfs/dbraw/zinc/56/43/92/806564392.db2.gz IXNGBOKMHSFLIO-UHFFFAOYSA-N 3 2 271.405 0.590 20 0 CCADLP COC(=O)[C@@H]1C[C@H](NC[C@]2(C(F)(F)F)CC[NH2+]C2)C[NH2+]1 ZINC001246110902 807155542 /nfs/dbraw/zinc/15/55/42/807155542.db2.gz JEPXNWYRDSXWJG-QXEWZRGKSA-N 2 2 295.305 0.022 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@]2(C(F)(F)F)CC[NH2+]C2)CN1 ZINC001246110902 807155550 /nfs/dbraw/zinc/15/55/50/807155550.db2.gz JEPXNWYRDSXWJG-QXEWZRGKSA-N 2 2 295.305 0.022 20 0 CCADLP CNC(=O)C[NH+]1CCC2(CCN(CC[NH+](C)C)C2)CC1 ZINC001278013049 806612152 /nfs/dbraw/zinc/61/21/52/806612152.db2.gz JMQUATBWJIKBGI-UHFFFAOYSA-N 2 2 282.432 0.082 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]1C[NH2+]CCCF ZINC001278015873 806612280 /nfs/dbraw/zinc/61/22/80/806612280.db2.gz NVPSIMLYHWRNHD-LBPRGKRZSA-N 2 2 268.336 0.823 20 0 CCADLP FC(F)(F)[C@@H]1C[N@H+](CC2(F)CC[NH2+]CC2)CCN1 ZINC001236982349 806620938 /nfs/dbraw/zinc/62/09/38/806620938.db2.gz QOQCUBWCJDXRFF-VIFPVBQESA-N 2 2 269.286 0.914 20 0 CCADLP FC(F)(F)[C@@H]1C[N@@H+](CC2(F)CC[NH2+]CC2)CCN1 ZINC001236982349 806620941 /nfs/dbraw/zinc/62/09/41/806620941.db2.gz QOQCUBWCJDXRFF-VIFPVBQESA-N 2 2 269.286 0.914 20 0 CCADLP C[NH+]1CCC(C)(C[N@@H+]2CCc3c([nH]nc3C(N)=O)C2)CC1 ZINC001278022629 806617581 /nfs/dbraw/zinc/61/75/81/806617581.db2.gz WUHHXHZOYILRFT-UHFFFAOYSA-N 2 2 291.399 0.599 20 0 CCADLP C[NH+]1CCC(C)(C[N@H+]2CCc3c([nH]nc3C(N)=O)C2)CC1 ZINC001278022629 806617583 /nfs/dbraw/zinc/61/75/83/806617583.db2.gz WUHHXHZOYILRFT-UHFFFAOYSA-N 2 2 291.399 0.599 20 0 CCADLP CCOC(=O)[C@@H]1C[N@H+](C[C@H]2CCCC[NH2+]2)CCC12C[NH2+]C2 ZINC001237413278 806661288 /nfs/dbraw/zinc/66/12/88/806661288.db2.gz WBBMAIHDOGXIRB-KGLIPLIRSA-N 3 2 295.427 0.603 20 0 CCADLP CCOC(=O)[C@@H]1C[N@@H+](C[C@H]2CCCC[NH2+]2)CCC12C[NH2+]C2 ZINC001237413278 806661294 /nfs/dbraw/zinc/66/12/94/806661294.db2.gz WBBMAIHDOGXIRB-KGLIPLIRSA-N 3 2 295.427 0.603 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)CO1 ZINC001246125761 807160379 /nfs/dbraw/zinc/16/03/79/807160379.db2.gz GSPUCQJWAPZHRX-TUAOUCFPSA-N 2 2 256.346 0.439 20 0 CCADLP CCn1c[nH+]cc1CN1CC([N@H+](C)[C@@H]2CCOC2)C1 ZINC001237597703 806693158 /nfs/dbraw/zinc/69/31/58/806693158.db2.gz UKBICVDFXBGULL-GFCCVEGCSA-N 2 2 264.373 0.808 20 0 CCADLP CCn1c[nH+]cc1CN1CC([N@@H+](C)[C@@H]2CCOC2)C1 ZINC001237597703 806693164 /nfs/dbraw/zinc/69/31/64/806693164.db2.gz UKBICVDFXBGULL-GFCCVEGCSA-N 2 2 264.373 0.808 20 0 CCADLP [NH3+]CCN(CC(F)(F)F)C(=O)Cc1[nH]cc[nH+]1 ZINC001122124142 799149583 /nfs/dbraw/zinc/14/95/83/799149583.db2.gz HBWYOIXILADLJN-UHFFFAOYSA-N 2 2 250.224 0.302 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]1CC[NH2+]C1 ZINC001122253697 799180467 /nfs/dbraw/zinc/18/04/67/799180467.db2.gz HZAYFUDZNMRSGS-QWHCGFSZSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CC[NH2+]CC1CC1 ZINC001122526349 799256773 /nfs/dbraw/zinc/25/67/73/799256773.db2.gz UFUNFUCXIWRYIU-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP CC[NH+]1CC2(C1)CC[C@H](C(=O)N1CCC([NH+](C)C)CC1)O2 ZINC001278160986 806734153 /nfs/dbraw/zinc/73/41/53/806734153.db2.gz RYEMNUYZNJAPQS-CQSZACIVSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@]1(O)COCC[N@@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238109118 806751490 /nfs/dbraw/zinc/75/14/90/806751490.db2.gz YOJVRYUSWFSUNI-CQSZACIVSA-N 2 2 261.325 0.918 20 0 CCADLP CC(C)[C@H]1C[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@@H]2COC3)CC[NH2+]1 ZINC001246152045 807168775 /nfs/dbraw/zinc/16/87/75/807168775.db2.gz WMWMGIALKCHMHG-KHMAMNHCSA-N 3 2 267.417 0.587 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)s1 ZINC001124879591 799643253 /nfs/dbraw/zinc/64/32/53/799643253.db2.gz XCBDHNCGTWBFKX-SNVBAGLBSA-N 2 2 297.428 0.401 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)s1 ZINC001124879591 799643256 /nfs/dbraw/zinc/64/32/56/799643256.db2.gz XCBDHNCGTWBFKX-SNVBAGLBSA-N 2 2 297.428 0.401 20 0 CCADLP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)[N@@H+]2CCCCF ZINC001278205179 806771012 /nfs/dbraw/zinc/77/10/12/806771012.db2.gz CEGJBOPKGWNGMR-OKILXGFUSA-N 2 2 273.396 0.683 20 0 CCADLP C[NH+](C)CCN1C[C@@H]2COC[C@H](C1)[N@H+]2CCCCF ZINC001278205179 806771016 /nfs/dbraw/zinc/77/10/16/806771016.db2.gz CEGJBOPKGWNGMR-OKILXGFUSA-N 2 2 273.396 0.683 20 0 CCADLP COCC[N@H+](C[C@H]1CCC(=O)N1)C1CC[NH+](C)CC1 ZINC001202864388 799750611 /nfs/dbraw/zinc/75/06/11/799750611.db2.gz OTXJZLKXWOZLLP-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP COCC[N@@H+](C[C@H]1CCC(=O)N1)C1CC[NH+](C)CC1 ZINC001202864388 799750616 /nfs/dbraw/zinc/75/06/16/799750616.db2.gz OTXJZLKXWOZLLP-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP COCCn1cc(C[N@@H+](C)CCN2CC[NH+](C)CC2)cn1 ZINC001139781577 799842609 /nfs/dbraw/zinc/84/26/09/799842609.db2.gz WQBDALHOQZWLKK-UHFFFAOYSA-N 2 2 295.431 0.209 20 0 CCADLP [NH3+]Cc1ncccc1NC(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001142634779 800142884 /nfs/dbraw/zinc/14/28/84/800142884.db2.gz BFWLWVXYKUAWMA-ZDUSSCGKSA-N 2 2 260.341 0.963 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)CC[NH+]1CCCCC1 ZINC001142923565 800174490 /nfs/dbraw/zinc/17/44/90/800174490.db2.gz DBEPXPMWERWGBA-AWEZNQCLSA-N 2 2 283.416 0.699 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)CC[NH+]1CCCCC1 ZINC001142923565 800174496 /nfs/dbraw/zinc/17/44/96/800174496.db2.gz DBEPXPMWERWGBA-AWEZNQCLSA-N 2 2 283.416 0.699 20 0 CCADLP CCOCC[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149571131 800277206 /nfs/dbraw/zinc/27/72/06/800277206.db2.gz PSJSOPVKAOAPOV-UHFFFAOYSA-N 2 2 268.361 0.095 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]C[C@@H]1CCCOC1 ZINC001149559376 800277499 /nfs/dbraw/zinc/27/74/99/800277499.db2.gz RCBQOJVBPHUHCF-ZDUSSCGKSA-N 2 2 294.399 0.485 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001151074478 800394711 /nfs/dbraw/zinc/39/47/11/800394711.db2.gz ZQFTVNLYKDSXDK-KOLCDFICSA-N 2 2 281.360 0.097 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001151074478 800394719 /nfs/dbraw/zinc/39/47/19/800394719.db2.gz ZQFTVNLYKDSXDK-KOLCDFICSA-N 2 2 281.360 0.097 20 0 CCADLP O=C(NCC[NH2+]CC1CCC1)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001151815194 800461058 /nfs/dbraw/zinc/46/10/58/800461058.db2.gz QWMMBNRPYCBTCX-OAHLLOKOSA-N 2 2 295.427 0.603 20 0 CCADLP CC[N@H+](CCO)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001155194188 800927897 /nfs/dbraw/zinc/92/78/97/800927897.db2.gz WDMUQLDUOBKRAU-NEPJUHHUSA-N 2 2 294.399 0.649 20 0 CCADLP CC[N@@H+](CCO)[C@H](C)CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001155194188 800927902 /nfs/dbraw/zinc/92/79/02/800927902.db2.gz WDMUQLDUOBKRAU-NEPJUHHUSA-N 2 2 294.399 0.649 20 0 CCADLP [NH3+]CC1C[NH+]([C@H]2CCCN(c3ccc(F)c[n+]3[O-])C2)C1 ZINC001155371877 800961041 /nfs/dbraw/zinc/96/10/41/800961041.db2.gz DLLNDAGTTYWZLZ-ZDUSSCGKSA-N 2 2 280.347 0.318 20 0 CCADLP CCOCC[N@H+](CC)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156016678 801093942 /nfs/dbraw/zinc/09/39/42/801093942.db2.gz LXOGLWPQEQHQKS-GFCCVEGCSA-N 2 2 282.388 0.815 20 0 CCADLP CCOCC[N@@H+](CC)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156016678 801093946 /nfs/dbraw/zinc/09/39/46/801093946.db2.gz LXOGLWPQEQHQKS-GFCCVEGCSA-N 2 2 282.388 0.815 20 0 CCADLP CC[N@H+](C[C@@H]1CCOC1)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156017106 801095027 /nfs/dbraw/zinc/09/50/27/801095027.db2.gz WNTGOCZLHWKHMZ-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP CC[N@@H+](C[C@@H]1CCOC1)[C@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001156017106 801095028 /nfs/dbraw/zinc/09/50/28/801095028.db2.gz WNTGOCZLHWKHMZ-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP C[NH+](C)Cc1ccnc(-n2cnc(C[NH3+])cc2=N)c1 ZINC001156627656 801202622 /nfs/dbraw/zinc/20/26/22/801202622.db2.gz DYXBJCWFPGPJJM-UHFFFAOYSA-N 2 2 258.329 0.267 20 0 CCADLP CC(C)[C@](C)(Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)C(N)=O ZINC001156652112 801206074 /nfs/dbraw/zinc/20/60/74/801206074.db2.gz VASLRPPOBRAZSW-HNNXBMFYSA-N 2 2 291.399 0.803 20 0 CCADLP C[N@@H+]1CC[C@@H](CNC(=O)c2ccc3[nH+]c(N)[nH]c3c2)C1 ZINC001156977442 801279628 /nfs/dbraw/zinc/27/96/28/801279628.db2.gz UHGKFKBGTZTDHL-VIFPVBQESA-N 2 2 273.340 0.827 20 0 CCADLP C[N@H+]1CC[C@@H](CNC(=O)c2ccc3[nH+]c(N)[nH]c3c2)C1 ZINC001156977442 801279631 /nfs/dbraw/zinc/27/96/31/801279631.db2.gz UHGKFKBGTZTDHL-VIFPVBQESA-N 2 2 273.340 0.827 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCCC[NH2+]CC[C@H]1CCOC1 ZINC001157264526 801336197 /nfs/dbraw/zinc/33/61/97/801336197.db2.gz IKZKCDSSGSURBK-ZDUSSCGKSA-N 2 2 294.399 0.865 20 0 CCADLP Cc1ncoc1C[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157265170 801336431 /nfs/dbraw/zinc/33/64/31/801336431.db2.gz NMVQOKGTJNSGDQ-UHFFFAOYSA-N 2 2 291.355 0.935 20 0 CCADLP Cn1cc[nH+]c1CCNC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001157422705 801377867 /nfs/dbraw/zinc/37/78/67/801377867.db2.gz LQNLQQPCAKSUDH-LBPRGKRZSA-N 3 2 281.404 0.138 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@H]2[NH2+]CC[C@H]2O)[C@H](c2ccccc2)C1 ZINC001157507157 801401719 /nfs/dbraw/zinc/40/17/19/801401719.db2.gz FASBCWZMZLQGGC-ZNMIVQPWSA-N 2 2 289.379 0.225 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]2[NH2+]CC[C@H]2O)[C@H](c2ccccc2)C1 ZINC001157507157 801401725 /nfs/dbraw/zinc/40/17/25/801401725.db2.gz FASBCWZMZLQGGC-ZNMIVQPWSA-N 2 2 289.379 0.225 20 0 CCADLP [NH3+]C1(C(=O)N2CC3(C2)CC(F)(F)C3)CC[NH2+]CC1 ZINC001157521706 801404306 /nfs/dbraw/zinc/40/43/06/801404306.db2.gz JTVLEYHIBVZIKR-UHFFFAOYSA-N 2 2 259.300 0.325 20 0 CCADLP CC(C)(C)OC(=O)O[C@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C1 ZINC001157589848 801427247 /nfs/dbraw/zinc/42/72/47/801427247.db2.gz ACHHXVMFLCGIBY-DCAQKATOSA-N 2 2 299.371 0.086 20 0 CCADLP C[N@@H+]1CCc2nc(C(=O)N3CC(C)([NH3+])C3)sc2C1 ZINC001157664723 801449623 /nfs/dbraw/zinc/44/96/23/801449623.db2.gz BKNMLMLDMWUXKI-UHFFFAOYSA-N 2 2 266.370 0.304 20 0 CCADLP C[N@H+]1CCc2nc(C(=O)N3CC(C)([NH3+])C3)sc2C1 ZINC001157664723 801449625 /nfs/dbraw/zinc/44/96/25/801449625.db2.gz BKNMLMLDMWUXKI-UHFFFAOYSA-N 2 2 266.370 0.304 20 0 CCADLP C[C@H]1[C@H]([NH3+])CCCN1c1cc(N2CCOCC2)[nH+]cn1 ZINC001157731928 801467450 /nfs/dbraw/zinc/46/74/50/801467450.db2.gz HAPVOOLUVWLPKX-NWDGAFQWSA-N 2 2 277.372 0.629 20 0 CCADLP [NH3+]C[C@]1(F)CCN(c2cc(N3CCSCC3)[nH+]cn2)C1 ZINC001157816652 801493886 /nfs/dbraw/zinc/49/38/86/801493886.db2.gz LBLXEZOJMNJWRE-CYBMUJFWSA-N 2 2 297.403 0.907 20 0 CCADLP [NH3+]C[C@]1(F)CCN(c2cc(N3CCSCC3)nc[nH+]2)C1 ZINC001157816652 801493891 /nfs/dbraw/zinc/49/38/91/801493891.db2.gz LBLXEZOJMNJWRE-CYBMUJFWSA-N 2 2 297.403 0.907 20 0 CCADLP C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CCC1(F)F ZINC001157847773 801500843 /nfs/dbraw/zinc/50/08/43/801500843.db2.gz MWKCNQZLUPLKOY-BBBLOLIVSA-N 2 2 261.316 0.569 20 0 CCADLP COCc1ccnc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001157915157 801520314 /nfs/dbraw/zinc/52/03/14/801520314.db2.gz RXIGLRNHXILULR-UHFFFAOYSA-N 2 2 264.333 0.217 20 0 CCADLP C[C@]1(CF)CC(F)(F)CN1C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001157952149 801537650 /nfs/dbraw/zinc/53/76/50/801537650.db2.gz OAPFDMTWWSXRAT-KHQFGBGNSA-N 2 2 265.279 0.271 20 0 CCADLP [NH3+][C@@H](CO)Cc1cncn1-c1cc2[nH]ccc2c[nH+]1 ZINC001158203437 801591687 /nfs/dbraw/zinc/59/16/87/801591687.db2.gz MPQZOUVDAWDMKU-SNVBAGLBSA-N 2 2 257.297 0.611 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2c(n1)CCC2 ZINC001158204545 801592313 /nfs/dbraw/zinc/59/23/13/801592313.db2.gz QMQSXIJMMVZPLL-LLVKDONJSA-N 2 2 258.325 0.618 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1c[nH]c2ncnc(Cl)c12 ZINC001158204932 801592411 /nfs/dbraw/zinc/59/24/11/801592411.db2.gz WJPPLFROFCOQGE-SSDOTTSWSA-N 2 2 292.730 0.611 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nccc(N2CCCC2)n1 ZINC001158204304 801592777 /nfs/dbraw/zinc/59/27/77/801592777.db2.gz VWRGNTDPTZRHNH-LLVKDONJSA-N 2 2 288.355 0.125 20 0 CCADLP CCOc1cccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158204979 801593143 /nfs/dbraw/zinc/59/31/43/801593143.db2.gz ZKNGARMPUKSBSB-SNVBAGLBSA-N 2 2 262.313 0.528 20 0 CCADLP COc1cccc2ncnc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)c21 ZINC001158209203 801595912 /nfs/dbraw/zinc/59/59/12/801595912.db2.gz KUURSWCNRPZKLN-SNVBAGLBSA-N 2 2 299.334 0.686 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@H]3[NH2+]C[C@H]32)cc1 ZINC001158429695 801647530 /nfs/dbraw/zinc/64/75/30/801647530.db2.gz AEJPJZOFBPNGIX-BFHYXJOUSA-N 3 2 274.368 0.222 20 0 CCADLP C[C@H]1C[NH+](C2CN(c3cccc(N)[nH+]3)C2)C[C@H](C)O1 ZINC001158717704 801692869 /nfs/dbraw/zinc/69/28/69/801692869.db2.gz KVWHFCDMUHNDSR-QWRGUYRKSA-N 2 2 262.357 0.962 20 0 CCADLP [NH3+][C@@H]1CN(c2cc(N3CCCCC3)[nH+]cn2)CC12COC2 ZINC001158765576 801702556 /nfs/dbraw/zinc/70/25/56/801702556.db2.gz FZMUNTTTZGAXHH-GFCCVEGCSA-N 2 2 289.383 0.631 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@H]1Nc1cc(N2CCSCC2)[nH+]cn1 ZINC001159678950 801848601 /nfs/dbraw/zinc/84/86/01/801848601.db2.gz ALHXRLJWVJACLL-WDEREUQCSA-N 2 2 295.412 0.022 20 0 CCADLP CC(C)([NH3+])CNc1cc(N2CCC[C@H]2C(N)=O)[nH+]cn1 ZINC001160032319 801901389 /nfs/dbraw/zinc/90/13/89/801901389.db2.gz RSVWNDYMYKNQSP-VIFPVBQESA-N 2 2 278.360 0.080 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCn2cccc2C1 ZINC001160476627 801947647 /nfs/dbraw/zinc/94/76/47/801947647.db2.gz JPNMIARUOXBTQH-LBPRGKRZSA-N 2 2 259.313 0.123 20 0 CCADLP COc1nc(Cl)nc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)n1 ZINC001160512459 801956831 /nfs/dbraw/zinc/95/68/31/801956831.db2.gz VQZDUQPUKFCQIU-LBPRGKRZSA-N 2 2 298.778 0.369 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCO[C@H](c2ccccc2)C1 ZINC001160530809 801963285 /nfs/dbraw/zinc/96/32/85/801963285.db2.gz PEQCGTVXDLSKMN-IHRRRGAJSA-N 2 2 275.352 0.133 20 0 CCADLP CN(CCc1cccs1)C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001160531549 801964180 /nfs/dbraw/zinc/96/41/80/801964180.db2.gz SROAEBCYHAYMNJ-UHFFFAOYSA-N 2 2 267.398 0.830 20 0 CCADLP [NH3+]C1(C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)CC[NH2+]CC1 ZINC001160694167 802003411 /nfs/dbraw/zinc/00/34/11/802003411.db2.gz RSTPDUXQQHDHFJ-LLVKDONJSA-N 2 2 277.372 0.197 20 0 CCADLP [NH3+]CCCC[C@H]([NH3+])CC(=O)N1CCc2[nH+]ccn2CC1 ZINC001160760252 802016829 /nfs/dbraw/zinc/01/68/29/802016829.db2.gz ISQMWKGJLIOCMP-LBPRGKRZSA-N 3 2 279.388 0.114 20 0 CCADLP CC(C)(C)OC[C@H]([NH3+])CC(=O)N1CCc2[nH+]ccn2CC1 ZINC001160761071 802017480 /nfs/dbraw/zinc/01/74/80/802017480.db2.gz UZTHSFFUYCPETG-GFCCVEGCSA-N 2 2 294.399 0.800 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCCC[NH2+]C[C@H](C)O)c[nH+]1 ZINC001160820930 802022191 /nfs/dbraw/zinc/02/21/91/802022191.db2.gz ZNIGBVFBKAXBON-LBPRGKRZSA-N 2 2 282.388 0.403 20 0 CCADLP [NH3+]C1(C(=O)N2CCC[C@@H]2c2ccccn2)CC[NH2+]CC1 ZINC001160935007 802049780 /nfs/dbraw/zinc/04/97/80/802049780.db2.gz FKMMNIUNPJGBLH-CYBMUJFWSA-N 2 2 274.368 0.826 20 0 CCADLP Nc1nc(-n2cc(CC[NH3+])c3c[nH+]ccc32)cc[nH+]1 ZINC001160950616 802052817 /nfs/dbraw/zinc/05/28/17/802052817.db2.gz OGUOFBQFQLUDOF-UHFFFAOYSA-N 3 2 254.297 0.899 20 0 CCADLP CC1(C)CN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)CC(C)(C)O1 ZINC001160967863 802055450 /nfs/dbraw/zinc/05/54/50/802055450.db2.gz PXECDLZIIHMVDW-ABAIWWIYSA-N 2 2 281.400 0.354 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCOC[C@H]1Cc1ccccc1 ZINC001161145001 802101077 /nfs/dbraw/zinc/10/10/77/802101077.db2.gz USNQIHJCKARUOZ-ILXRZTDVSA-N 2 2 289.379 0.003 20 0 CCADLP CN(C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)[C@@H]1CCC2(C1)OCCO2 ZINC001161219025 802110326 /nfs/dbraw/zinc/11/03/26/802110326.db2.gz MKQPSSCRTIMWOI-NEPJUHHUSA-N 2 2 294.355 0.034 20 0 CCADLP CO[C@H](C)C[NH2+]CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001161308706 802123693 /nfs/dbraw/zinc/12/36/93/802123693.db2.gz DILALHUHNOBLSJ-OLZOCXBDSA-N 2 2 294.399 0.576 20 0 CCADLP CCN(C(=O)[C@@H](CO)n1cc[nH+]c1)[C@H]1CCC[NH2+]C1 ZINC001161333065 802129312 /nfs/dbraw/zinc/12/93/12/802129312.db2.gz QCZUCFGVBRLQNU-NWDGAFQWSA-N 2 2 266.345 0.017 20 0 CCADLP CCN(C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)[C@@H]1CCC[NH2+]C1 ZINC001161345166 802134583 /nfs/dbraw/zinc/13/45/83/802134583.db2.gz ASYZJRUJQSKKIW-CABCVRRESA-N 3 2 290.411 0.859 20 0 CCADLP CC(C)N(C(=O)[C@]1(C)CC(F)(F)C[NH2+]1)[C@H]1CC[NH2+]C1 ZINC001161350716 802136559 /nfs/dbraw/zinc/13/65/59/802136559.db2.gz BZTKAEKCGORRQV-JQWIXIFHSA-N 2 2 275.343 0.973 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCc3cc(F)c(F)cc3C2)C1 ZINC001161513462 802168252 /nfs/dbraw/zinc/16/82/52/802168252.db2.gz CKWVIGMGLDAMAU-MFKMUULPSA-N 2 2 281.306 0.539 20 0 CCADLP CN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])[C@H]1CCc2ccccc21 ZINC001161542367 802173659 /nfs/dbraw/zinc/17/36/59/802173659.db2.gz CPPKCKQKJSOKSJ-IHRRRGAJSA-N 2 2 259.353 0.679 20 0 CCADLP Cc1cc(N(C)C)nc(NCCC[NH+]2CCN(C)CC2)[nH+]1 ZINC001161703892 802202384 /nfs/dbraw/zinc/20/23/84/802202384.db2.gz QEBLBIGVSAKHCE-UHFFFAOYSA-N 2 2 292.431 0.900 20 0 CCADLP COc1nc(Cl)cc(NCC[NH+]2CCC([NH3+])CC2)n1 ZINC001161867779 802234146 /nfs/dbraw/zinc/23/41/46/802234146.db2.gz YQUROXZMASKBNZ-UHFFFAOYSA-N 2 2 285.779 0.974 20 0 CCADLP Cc1nc(-n2nccc2C[NH3+])cc(N2CCOCC2)[nH+]1 ZINC001162586168 802371358 /nfs/dbraw/zinc/37/13/58/802371358.db2.gz RSKFZQAQTLOXGT-UHFFFAOYSA-N 2 2 274.328 0.266 20 0 CCADLP Cc1cc(N(C)C)nc(NC[C@H]2C[N@H+](C)CCO2)[nH+]1 ZINC001162682605 802387728 /nfs/dbraw/zinc/38/77/28/802387728.db2.gz DSUREUDRUMQKOW-NSHDSACASA-N 2 2 265.361 0.594 20 0 CCADLP Cc1cc(N(C)C)nc(NC[C@H]2C[N@@H+](C)CCO2)[nH+]1 ZINC001162682605 802387732 /nfs/dbraw/zinc/38/77/32/802387732.db2.gz DSUREUDRUMQKOW-NSHDSACASA-N 2 2 265.361 0.594 20 0 CCADLP COC(=O)c1c[nH+]ccc1NC[C@H]1C[N@H+](C)CCO1 ZINC001162690557 802398112 /nfs/dbraw/zinc/39/81/12/802398112.db2.gz XUWSIHRADJUFFL-JTQLQIEISA-N 2 2 265.313 0.033 20 0 CCADLP COC(=O)c1c[nH+]ccc1NC[C@H]1C[N@@H+](C)CCO1 ZINC001162690557 802398120 /nfs/dbraw/zinc/39/81/20/802398120.db2.gz XUWSIHRADJUFFL-JTQLQIEISA-N 2 2 265.313 0.033 20 0 CCADLP C1=C[C@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)[C@@H]2C[NH2+]C[C@H]12 ZINC001162797652 802420738 /nfs/dbraw/zinc/42/07/38/802420738.db2.gz OEZNLFUTIHRJAZ-CFVMTHIKSA-N 3 2 285.395 0.677 20 0 CCADLP C[C@@H]1C[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC(=O)N1 ZINC001255673901 808421250 /nfs/dbraw/zinc/42/12/50/808421250.db2.gz HHAGOFIYMUMFQI-FKJOKYEKSA-N 2 2 251.374 0.822 20 0 CCADLP C[C@@H]1C[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC(=O)N1 ZINC001255673901 808421253 /nfs/dbraw/zinc/42/12/53/808421253.db2.gz HHAGOFIYMUMFQI-FKJOKYEKSA-N 2 2 251.374 0.822 20 0 CCADLP C[C@@H]1C[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC(=O)N1 ZINC001255673901 808421256 /nfs/dbraw/zinc/42/12/56/808421256.db2.gz HHAGOFIYMUMFQI-FKJOKYEKSA-N 2 2 251.374 0.822 20 0 CCADLP C[C@@H]1C[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC(=O)N1 ZINC001255673901 808421260 /nfs/dbraw/zinc/42/12/60/808421260.db2.gz HHAGOFIYMUMFQI-FKJOKYEKSA-N 2 2 251.374 0.822 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCCC[NH2+]CCCF ZINC001163044375 802467276 /nfs/dbraw/zinc/46/72/76/802467276.db2.gz XMTDRTVUBFTXQW-UHFFFAOYSA-N 2 2 270.352 0.808 20 0 CCADLP CC(C)OCC[NH2+]CCCNC(=O)CCc1[nH+]ccn1C ZINC001163050483 802468170 /nfs/dbraw/zinc/46/81/70/802468170.db2.gz IMCXIFKACYMNOR-UHFFFAOYSA-N 2 2 296.415 0.874 20 0 CCADLP COC(=O)Cc1ccc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)[nH+]c1 ZINC001163094611 802480792 /nfs/dbraw/zinc/48/07/92/802480792.db2.gz PYTHIJDURHHEOQ-JHJVBQTASA-N 2 2 291.351 0.443 20 0 CCADLP O=C1COc2c[nH+]c(NC[C@]34C[NH2+]C[C@H]3COC4)cc2N1 ZINC001163147836 802495004 /nfs/dbraw/zinc/49/50/04/802495004.db2.gz OMFFNKLOUJLAIL-XPTSAGLGSA-N 2 2 290.323 0.060 20 0 CCADLP Fc1c[nH+]ccc1NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163171688 802500644 /nfs/dbraw/zinc/50/06/44/802500644.db2.gz NBBQKQKYUIHKCZ-GIPNMCIBSA-N 2 2 251.305 0.679 20 0 CCADLP O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2cc(N3CCCC3)[nH+]cn2)N1 ZINC001163239160 802512656 /nfs/dbraw/zinc/51/26/56/802512656.db2.gz RICAFIXJQDKEMZ-HZMBPMFUSA-N 2 2 288.355 0.067 20 0 CCADLP [NH3+]CCN(CCO)c1ccc(Cn2cc[nH+]c2)cn1 ZINC001163830081 802620544 /nfs/dbraw/zinc/62/05/44/802620544.db2.gz RHTCDZNUDNIVJE-UHFFFAOYSA-N 2 2 261.329 0.084 20 0 CCADLP [NH3+]CCN(CCO)c1ccc(N2CCCC2)[nH+]c1 ZINC001163831532 802620592 /nfs/dbraw/zinc/62/05/92/802620592.db2.gz DVDBJRCKVICEMV-UHFFFAOYSA-N 2 2 250.346 0.439 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Nc2cccn3c[nH+]cc23)C[NH2+]1 ZINC001164312635 802719559 /nfs/dbraw/zinc/71/95/59/802719559.db2.gz UIJQGLQLXTXINZ-ONGXEEELSA-N 2 2 260.297 0.650 20 0 CCADLP Cc1c(F)cc[nH+]c1N1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001165255633 802806503 /nfs/dbraw/zinc/80/65/03/802806503.db2.gz DDMJSJSXBYUTET-UHFFFAOYSA-N 2 2 278.331 0.588 20 0 CCADLP CNC(=O)c1ccc(-n2c(C)[nH+]c3c2CC[NH2+]CC3)nn1 ZINC001165355698 802826003 /nfs/dbraw/zinc/82/60/03/802826003.db2.gz IXGNCAVSWBZLTO-UHFFFAOYSA-N 2 2 286.339 0.019 20 0 CCADLP Cc1[nH+]c2c(n1-c1nc(C)ccc1C(N)=O)CC[NH2+]CC2 ZINC001165354746 802826394 /nfs/dbraw/zinc/82/63/94/802826394.db2.gz IZNCSFSDOMXNGN-UHFFFAOYSA-N 2 2 285.351 0.671 20 0 CCADLP CCCc1cc(N2CCO[C@@H](C[NH3+])C2)nc(C)[nH+]1 ZINC001166940974 802986691 /nfs/dbraw/zinc/98/66/91/802986691.db2.gz VFNHLVSXEOQFLR-LBPRGKRZSA-N 2 2 250.346 0.901 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CCC([NH2+]CCCO)CC1 ZINC001203545293 803034184 /nfs/dbraw/zinc/03/41/84/803034184.db2.gz UGQOILOFEBWZSS-UHFFFAOYSA-N 2 2 294.399 0.316 20 0 CCADLP C[N@@H+]1CCC[C@H](NC(=O)c2cnc(C[NH3+])s2)C1 ZINC000720276827 803053258 /nfs/dbraw/zinc/05/32/58/803053258.db2.gz UPJZGUBBRRHQBQ-QMMMGPOBSA-N 2 2 254.359 0.426 20 0 CCADLP C[N@H+]1CCC[C@H](NC(=O)c2cnc(C[NH3+])s2)C1 ZINC000720276827 803053264 /nfs/dbraw/zinc/05/32/64/803053264.db2.gz UPJZGUBBRRHQBQ-QMMMGPOBSA-N 2 2 254.359 0.426 20 0 CCADLP Cn1cc(C[N@H+](C)CCN2CC[NH+](C)CC2)cn1 ZINC001205008237 803114635 /nfs/dbraw/zinc/11/46/35/803114635.db2.gz BNLZOELUBUHPQX-UHFFFAOYSA-N 2 2 251.378 0.099 20 0 CCADLP Cn1cc(C[N@@H+](C)CCN2CC[NH+](C)CC2)cn1 ZINC001205008237 803114639 /nfs/dbraw/zinc/11/46/39/803114639.db2.gz BNLZOELUBUHPQX-UHFFFAOYSA-N 2 2 251.378 0.099 20 0 CCADLP Cn1cc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)cn1 ZINC001205023175 803115167 /nfs/dbraw/zinc/11/51/67/803115167.db2.gz JPVYKLKZYWMKGK-CYBMUJFWSA-N 2 2 279.388 0.062 20 0 CCADLP Cn1cc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)cn1 ZINC001205023175 803115174 /nfs/dbraw/zinc/11/51/74/803115174.db2.gz JPVYKLKZYWMKGK-CYBMUJFWSA-N 2 2 279.388 0.062 20 0 CCADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc(OCC(N)=O)cc1 ZINC001205068432 803117427 /nfs/dbraw/zinc/11/74/27/803117427.db2.gz IONOIMUFNLLBES-AAEUAGOBSA-N 2 2 277.368 0.862 20 0 CCADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc(OCC(N)=O)cc1 ZINC001205068432 803117434 /nfs/dbraw/zinc/11/74/34/803117434.db2.gz IONOIMUFNLLBES-AAEUAGOBSA-N 2 2 277.368 0.862 20 0 CCADLP C[C@@H](O)C[NH2+]CC1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001205119546 803118105 /nfs/dbraw/zinc/11/81/05/803118105.db2.gz VLXZLUDQENISPY-GFCCVEGCSA-N 2 2 294.399 0.551 20 0 CCADLP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205221934 803127972 /nfs/dbraw/zinc/12/79/72/803127972.db2.gz YNVUVDQDQJKMEV-CYBMUJFWSA-N 3 2 250.346 0.170 20 0 CCADLP Nc1cc[nH+]cc1C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205221934 803127975 /nfs/dbraw/zinc/12/79/75/803127975.db2.gz YNVUVDQDQJKMEV-CYBMUJFWSA-N 3 2 250.346 0.170 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CCC(C[NH2+]CCO)CC1 ZINC001205433138 803142068 /nfs/dbraw/zinc/14/20/68/803142068.db2.gz NBGBSJRJYJZWKF-UHFFFAOYSA-N 2 2 280.372 0.163 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CCC(C[NH2+]CCO)CC1 ZINC001205433138 803142072 /nfs/dbraw/zinc/14/20/72/803142072.db2.gz NBGBSJRJYJZWKF-UHFFFAOYSA-N 2 2 280.372 0.163 20 0 CCADLP CCN(CCO)CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001205499159 803144179 /nfs/dbraw/zinc/14/41/79/803144179.db2.gz SLVBIMFZURAOJH-UHFFFAOYSA-N 2 2 255.406 0.517 20 0 CCADLP Cc1ncc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)cn1 ZINC001205665529 803153222 /nfs/dbraw/zinc/15/32/22/803153222.db2.gz SPGWXFGZLXGCQW-ZDUSSCGKSA-N 2 2 250.346 0.461 20 0 CCADLP Cc1ncc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)cn1 ZINC001205665529 803153227 /nfs/dbraw/zinc/15/32/27/803153227.db2.gz SPGWXFGZLXGCQW-ZDUSSCGKSA-N 2 2 250.346 0.461 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2ncccc2F)C1 ZINC001205673482 803154934 /nfs/dbraw/zinc/15/49/34/803154934.db2.gz RDQYNJNDUWIQHS-CYBMUJFWSA-N 2 2 253.321 0.896 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ncccc2F)C1 ZINC001205673482 803154936 /nfs/dbraw/zinc/15/49/36/803154936.db2.gz RDQYNJNDUWIQHS-CYBMUJFWSA-N 2 2 253.321 0.896 20 0 CCADLP COc1cc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc(OC)c1O ZINC001206464084 803246770 /nfs/dbraw/zinc/24/67/70/803246770.db2.gz JNFXCFCMENHIFV-WDEREUQCSA-N 2 2 282.340 0.161 20 0 CCADLP COc1cc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc(OC)c1O ZINC001206464084 803246775 /nfs/dbraw/zinc/24/67/75/803246775.db2.gz JNFXCFCMENHIFV-WDEREUQCSA-N 2 2 282.340 0.161 20 0 CCADLP CC(C)Oc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cn1 ZINC001206476850 803250472 /nfs/dbraw/zinc/25/04/72/803250472.db2.gz VSTYYKABLMIOAZ-QWHCGFSZSA-N 2 2 265.357 0.620 20 0 CCADLP CC(C)Oc1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cn1 ZINC001206476850 803250478 /nfs/dbraw/zinc/25/04/78/803250478.db2.gz VSTYYKABLMIOAZ-QWHCGFSZSA-N 2 2 265.357 0.620 20 0 CCADLP COc1cc(O)ccc1C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206518694 803258698 /nfs/dbraw/zinc/25/86/98/803258698.db2.gz FGZJVZFPGBPCRF-JQWIXIFHSA-N 2 2 252.314 0.152 20 0 CCADLP COc1cc(O)ccc1C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206518694 803258700 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ZINC001209293995 803589737 /nfs/dbraw/zinc/58/97/37/803589737.db2.gz SOHXJVIQLVHMNX-CQSZACIVSA-N 2 2 253.390 0.487 20 0 CCADLP C[N@@H+](C1CC1)[C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC001209293995 803589739 /nfs/dbraw/zinc/58/97/39/803589739.db2.gz SOHXJVIQLVHMNX-CQSZACIVSA-N 2 2 253.390 0.487 20 0 CCADLP Cc1n[nH]cc1C[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001209557473 803611741 /nfs/dbraw/zinc/61/17/41/803611741.db2.gz WABBTKPKAWMBDP-UHFFFAOYSA-N 2 2 251.378 0.397 20 0 CCADLP Cc1n[nH]cc1C[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001209557473 803611743 /nfs/dbraw/zinc/61/17/43/803611743.db2.gz WABBTKPKAWMBDP-UHFFFAOYSA-N 2 2 251.378 0.397 20 0 CCADLP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC001209731191 803626335 /nfs/dbraw/zinc/62/63/35/803626335.db2.gz PWRHQGHCMYZIMC-LBPRGKRZSA-N 2 2 258.329 0.923 20 0 CCADLP Nc1cc[nH+]cc1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC001209731191 803626338 /nfs/dbraw/zinc/62/63/38/803626338.db2.gz PWRHQGHCMYZIMC-LBPRGKRZSA-N 2 2 258.329 0.923 20 0 CCADLP CC(=O)N(C)C1CC[NH+](Cc2c[nH+]ccc2N)CC1 ZINC001209736583 803627186 /nfs/dbraw/zinc/62/71/86/803627186.db2.gz GBJLEQBHQJZZSV-UHFFFAOYSA-N 2 2 262.357 0.937 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]([NH2+]CCCF)C1 ZINC001209837910 803632093 /nfs/dbraw/zinc/63/20/93/803632093.db2.gz UGUXYWWCJCVAAV-LLVKDONJSA-N 2 2 268.336 0.892 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001210849759 803661541 /nfs/dbraw/zinc/66/15/41/803661541.db2.gz RKSYPZGUHWILDP-YPMHNXCESA-N 2 2 294.399 0.876 20 0 CCADLP CC(C)OCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001211451988 803681670 /nfs/dbraw/zinc/68/16/70/803681670.db2.gz NGHMIOOHACFQDW-ZIAGYGMSSA-N 2 2 294.399 0.745 20 0 CCADLP CC(C)OCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001211451988 803681674 /nfs/dbraw/zinc/68/16/74/803681674.db2.gz NGHMIOOHACFQDW-ZIAGYGMSSA-N 2 2 294.399 0.745 20 0 CCADLP CO[C@@H]1C[N@H+](CC(C)C)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213239135 803686704 /nfs/dbraw/zinc/68/67/04/803686704.db2.gz CCJTXVCMMJHIPJ-ZIAGYGMSSA-N 2 2 294.399 0.745 20 0 CCADLP CO[C@@H]1C[N@@H+](CC(C)C)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001213239135 803686706 /nfs/dbraw/zinc/68/67/06/803686706.db2.gz CCJTXVCMMJHIPJ-ZIAGYGMSSA-N 2 2 294.399 0.745 20 0 CCADLP C[N@@H+]1CCO[C@]2(CCCN(Cc3c[nH+]ccc3N)C2)C1 ZINC001276713910 803756478 /nfs/dbraw/zinc/75/64/78/803756478.db2.gz UQFFIAJYUMSONV-OAHLLOKOSA-N 2 2 276.384 0.791 20 0 CCADLP CN1CCO[C@]2(CCC[N@H+](Cc3c[nH+]ccc3N)C2)C1 ZINC001276713910 803756489 /nfs/dbraw/zinc/75/64/89/803756489.db2.gz UQFFIAJYUMSONV-OAHLLOKOSA-N 2 2 276.384 0.791 20 0 CCADLP CN1CCO[C@]2(CCC[N@@H+](Cc3c[nH+]ccc3N)C2)C1 ZINC001276713910 803756499 /nfs/dbraw/zinc/75/64/99/803756499.db2.gz UQFFIAJYUMSONV-OAHLLOKOSA-N 2 2 276.384 0.791 20 0 CCADLP COC(=O)c1cc(C[NH2+]CCC[NH+]2CCC(O)CC2)c[nH]1 ZINC000304837558 803780659 /nfs/dbraw/zinc/78/06/59/803780659.db2.gz OIXGIDAAGKFXBM-UHFFFAOYSA-N 2 2 295.383 0.738 20 0 CCADLP CCO[C@@H]1C[N@H+](C[C@H](O)C(F)(F)F)C[C@H]1C[NH3+] ZINC000405462114 803884312 /nfs/dbraw/zinc/88/43/12/803884312.db2.gz RIBOMWYUEHMVDG-HLTSFMKQSA-N 2 2 256.268 0.205 20 0 CCADLP CCO[C@@H]1C[N@@H+](C[C@H](O)C(F)(F)F)C[C@H]1C[NH3+] ZINC000405462114 803884319 /nfs/dbraw/zinc/88/43/19/803884319.db2.gz RIBOMWYUEHMVDG-HLTSFMKQSA-N 2 2 256.268 0.205 20 0 CCADLP C[C@@H]1C[N@@H+](CCc2nnc([C@H]3CC[NH2+]3)o2)C[C@H](C)O1 ZINC001217718985 803904844 /nfs/dbraw/zinc/90/48/44/803904844.db2.gz SJXFUAUTTSSCRZ-OUAUKWLOSA-N 2 2 266.345 0.756 20 0 CCADLP C[C@@H]1C[N@H+](CCc2nnc([C@H]3CC[NH2+]3)o2)C[C@H](C)O1 ZINC001217718985 803904850 /nfs/dbraw/zinc/90/48/50/803904850.db2.gz SJXFUAUTTSSCRZ-OUAUKWLOSA-N 2 2 266.345 0.756 20 0 CCADLP [NH3+][C@H](CN1CCC([NH3+])CC1)c1nnc(C2CCC2)o1 ZINC001217758096 803911851 /nfs/dbraw/zinc/91/18/51/803911851.db2.gz WJCKKGXYWOWEAY-LLVKDONJSA-N 2 2 265.361 0.760 20 0 CCADLP Cc1cc(C[C@H](C)NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)on1 ZINC001218500330 803965551 /nfs/dbraw/zinc/96/55/51/803965551.db2.gz HUSOKWBRXDOZDH-MBGOOHRESA-N 2 2 278.356 0.252 20 0 CCADLP [NH3+]C1(C(=O)Nc2cccnc2-n2cccn2)CC[NH2+]CC1 ZINC001218502628 803969854 /nfs/dbraw/zinc/96/98/54/803969854.db2.gz TYVIMRRYGCRVFH-UHFFFAOYSA-N 2 2 286.339 0.287 20 0 CCADLP COc1nc(Cl)cc(NC(=O)C[NH2+]C2CC[NH2+]CC2)n1 ZINC001218518691 803982421 /nfs/dbraw/zinc/98/24/21/803982421.db2.gz QQXDBZHULSWMNP-UHFFFAOYSA-N 2 2 299.762 0.419 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1nccnc1C1CC1 ZINC001218535772 803991609 /nfs/dbraw/zinc/99/16/09/803991609.db2.gz SHKPJSWGMOQREI-JTQLQIEISA-N 2 2 272.312 0.586 20 0 CCADLP Cc1[nH]nc2ncc(NC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)cc12 ZINC001218614598 804035705 /nfs/dbraw/zinc/03/57/05/804035705.db2.gz FMVXQBOFTKOYNK-NSHDSACASA-N 2 2 285.311 0.498 20 0 CCADLP CN(C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)c1nccnc1N ZINC001218623764 804041311 /nfs/dbraw/zinc/04/13/11/804041311.db2.gz RTVPTOMXTMKJKZ-LLVKDONJSA-N 2 2 286.339 0.294 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc(-c2ccncc2)no1 ZINC001218627285 804043735 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Cc1cc(NC(=O)[C@@H]([NH3+])CC[NH3+])n(C2CCC2)n1 ZINC001218728505 804099209 /nfs/dbraw/zinc/09/92/09/804099209.db2.gz MLSAVYKJBPCTON-JTQLQIEISA-N 2 2 251.334 0.531 20 0 CCADLP [NH3+]C1(C(=O)Nc2cnccc2OC(F)F)CC[NH2+]CC1 ZINC001218739593 804101857 /nfs/dbraw/zinc/10/18/57/804101857.db2.gz GHBCYCGJEVOZKL-UHFFFAOYSA-N 2 2 286.282 0.702 20 0 CCADLP COc1cc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)c(C)cn1 ZINC001218792046 804122865 /nfs/dbraw/zinc/12/28/65/804122865.db2.gz QSJXCZKWYNKZEJ-RULNRJAQSA-N 2 2 276.340 0.559 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1ccc2c(c1)OCO2 ZINC001218807682 804127540 /nfs/dbraw/zinc/12/75/40/804127540.db2.gz IHPJZKKWVFVBRA-UHFFFAOYSA-N 2 2 277.324 0.695 20 0 CCADLP [NH3+]CCC[C@@H]([NH3+])C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001218811856 804130615 /nfs/dbraw/zinc/13/06/15/804130615.db2.gz LPLSREWGUCJZIE-CYBMUJFWSA-N 3 2 273.340 0.877 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC001218835614 804136865 /nfs/dbraw/zinc/13/68/65/804136865.db2.gz HVQXFQXOIOQEAF-VIFPVBQESA-N 2 2 286.295 0.500 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc(-c2nnco2)c1 ZINC001218860261 804140914 /nfs/dbraw/zinc/14/09/14/804140914.db2.gz OJCANAHOWXBGTM-GFCCVEGCSA-N 2 2 298.306 0.968 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1cccc2nccnc21 ZINC001218910291 804154967 /nfs/dbraw/zinc/15/49/67/804154967.db2.gz IMFNANIGNCAITE-NSHDSACASA-N 2 2 296.334 0.872 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccccc2-c2cnco2)C1 ZINC001218927369 804160514 /nfs/dbraw/zinc/16/05/14/804160514.db2.gz FANUNBOJMFXUSD-SKDRFNHKSA-N 2 2 272.308 0.969 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccc2c1COC2 ZINC001219109886 804204597 /nfs/dbraw/zinc/20/45/97/804204597.db2.gz GECYPFDTTHQIOS-LBPRGKRZSA-N 2 2 272.308 0.948 20 0 CCADLP CC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c1C ZINC001219258046 804251481 /nfs/dbraw/zinc/25/14/81/804251481.db2.gz FPDVKJYRVVGVES-MFKMUULPSA-N 2 2 261.325 0.825 20 0 CCADLP Nc1ccc2c(c1)CCCN2C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001219266038 804252652 /nfs/dbraw/zinc/25/26/52/804252652.db2.gz BTSIARCURHOINK-UHFFFAOYSA-N 2 2 288.395 0.890 20 0 CCADLP CC1(C)c2ccc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc2CNC1=O ZINC001219337296 804274809 /nfs/dbraw/zinc/27/48/09/804274809.db2.gz ZFRXWBFYROBERB-LBPRGKRZSA-N 2 2 290.367 0.209 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc(F)c2c1OCCC2=O ZINC001219486423 804328532 /nfs/dbraw/zinc/32/85/32/804328532.db2.gz JTSOCVYDJSSHPH-QMMMGPOBSA-N 2 2 281.287 0.406 20 0 CCADLP Cn1ccc2cc(CNC(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4[NH2+]3)ccc21 ZINC001219597644 804366414 /nfs/dbraw/zinc/36/64/14/804366414.db2.gz OXCDMXRJKHVAAJ-SOUVJXGZSA-N 2 2 298.390 0.744 20 0 CCADLP C[C@H](NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)c1ccncc1 ZINC001219599774 804367984 /nfs/dbraw/zinc/36/79/84/804367984.db2.gz FNPADIXKIZOBCJ-RSXIPKFTSA-N 2 2 260.341 0.481 20 0 CCADLP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@]2(C)CC(F)(F)C[NH2+]2)C1 ZINC001219641708 804387181 /nfs/dbraw/zinc/38/71/81/804387181.db2.gz KQUDYXZFFHEJQT-NHCYSSNCSA-N 2 2 275.343 0.736 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@]2(F)CCC[NH2+]C2)cc1 ZINC001219770532 804419890 /nfs/dbraw/zinc/41/98/90/804419890.db2.gz AGHRKQXQOULHDA-UKRRQHHQSA-N 3 2 294.374 0.467 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC001219866048 804433632 /nfs/dbraw/zinc/43/36/32/804433632.db2.gz ZHCBPNHCOULDNJ-MELADBBJSA-N 2 2 286.335 0.054 20 0 CCADLP CC(C)(Cc1ccc(F)cc1)NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001219923591 804448198 /nfs/dbraw/zinc/44/81/98/804448198.db2.gz SNFAEDXPWOFYIP-OLZOCXBDSA-N 2 2 279.359 0.952 20 0 CCADLP Cn1c(CNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc2ccccc21 ZINC001219936935 804453261 /nfs/dbraw/zinc/45/32/61/804453261.db2.gz ZJVGOKONMWAGQL-STQMWFEESA-N 2 2 272.352 0.341 20 0 CCADLP Cc1c[nH]c(CCNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)[nH+]1 ZINC001219952563 804456011 /nfs/dbraw/zinc/45/60/11/804456011.db2.gz XSSCHMGAHXMPOY-LBPRGKRZSA-N 3 2 291.399 0.251 20 0 CCADLP Cc1c[nH]c(CCNC(=O)[C@@H]2CC[NH2+]C[C@H]2F)[nH+]1 ZINC001219952665 804456376 /nfs/dbraw/zinc/45/63/76/804456376.db2.gz ZPSGDMUZTSAJOB-NXEZZACHSA-N 2 2 254.309 0.324 20 0 CCADLP O=C(NCCC[NH2+]C1CCCCC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219952048 804456525 /nfs/dbraw/zinc/45/65/25/804456525.db2.gz MNSYKQGTMMESFS-CZUORRHYSA-N 3 2 294.443 0.367 20 0 CCADLP O=C(NC1C2CC3CC(C2)CC1C3)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219989803 804466183 /nfs/dbraw/zinc/46/61/83/804466183.db2.gz QJOVKXUYYGYXLF-KJLLEUQGSA-N 2 2 289.423 0.879 20 0 CCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)NC2C3CC4CC(C3)CC2C4)C1 ZINC001219989517 804466420 /nfs/dbraw/zinc/46/64/20/804466420.db2.gz DVGUPLIBPKLHRU-AHKNTWRYSA-N 2 2 263.385 0.617 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NCc2ccncn2)cc1 ZINC001220004962 804468710 /nfs/dbraw/zinc/46/87/10/804468710.db2.gz KYJFKZAVHWNMLS-CYBMUJFWSA-N 2 2 271.324 0.365 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1cccc2ncccc12 ZINC001220039685 804480762 /nfs/dbraw/zinc/48/07/62/804480762.db2.gz OJAIYIRNPLBBAW-STQMWFEESA-N 2 2 270.336 0.398 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1cc(Cl)nc(Cl)c1 ZINC001220069998 804494677 /nfs/dbraw/zinc/49/46/77/804494677.db2.gz WCIMDFKOIJORQY-YUMQZZPRSA-N 2 2 289.166 0.551 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H]2CCC[C@@H]2O)cc1 ZINC001220099570 804499852 /nfs/dbraw/zinc/49/98/52/804499852.db2.gz SHWMRLJSENKQNC-UPJWGTAASA-N 2 2 263.341 0.288 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220158643 804522333 /nfs/dbraw/zinc/52/23/33/804522333.db2.gz CQPGEESXKXDSCW-CORIIIEPSA-N 3 2 291.399 0.318 20 0 CCADLP CCC1(CNC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)COC1 ZINC001220170611 804524979 /nfs/dbraw/zinc/52/49/79/804524979.db2.gz PVRXKLMYAATSEX-ZDUSSCGKSA-N 2 2 277.368 0.802 20 0 CCADLP C[C@H](CCCC(C)(C)O)NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220242597 804546028 /nfs/dbraw/zinc/54/60/28/804546028.db2.gz FKPMQAQYIXAJBP-BLTAXRJOSA-N 2 2 283.416 0.654 20 0 CCADLP Cc1ccc([C@@H](C)NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)nc1 ZINC001220266741 804555111 /nfs/dbraw/zinc/55/51/11/804555111.db2.gz VNUUHODWBPTEAY-CVMIBZJCSA-N 2 2 274.368 0.789 20 0 CCADLP Cc1cccn2cc(CNC(=O)[C@@]34CC[C@@H]([NH2+]3)[C@H]([NH3+])C4)nc12 ZINC001220278572 804559467 /nfs/dbraw/zinc/55/94/67/804559467.db2.gz XSUCSAGAMRHXTF-IOASZLSFSA-N 2 2 299.378 0.481 20 0 CCADLP C[C@H](NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)c1cnccn1 ZINC001220370744 804584009 /nfs/dbraw/zinc/58/40/09/804584009.db2.gz BWCHKGWTFGHCCX-GXFFZTMASA-N 2 2 285.351 0.926 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)C1 ZINC001220391707 804592938 /nfs/dbraw/zinc/59/29/38/804592938.db2.gz MSNDFAAOXFENPU-APIJFGDWSA-N 2 2 289.379 0.712 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)NC[C@H](O)C1CCCCC1 ZINC001220467212 804610455 /nfs/dbraw/zinc/61/04/55/804610455.db2.gz PWLMRSUKJXWFFO-KBPBESRZSA-N 2 2 294.399 0.347 20 0 CCADLP O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220469370 804611803 /nfs/dbraw/zinc/61/18/03/804611803.db2.gz VGBDCSBYWJMKFL-ZIEJDFEHSA-N 2 2 289.354 0.749 20 0 CCADLP CCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001220520561 804618699 /nfs/dbraw/zinc/61/86/99/804618699.db2.gz WIVBMBVAWZXJPP-YUTCNCBUSA-N 2 2 294.399 0.550 20 0 CCADLP CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001220520561 804618705 /nfs/dbraw/zinc/61/87/05/804618705.db2.gz WIVBMBVAWZXJPP-YUTCNCBUSA-N 2 2 294.399 0.550 20 0 CCADLP CCCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001220520561 804618710 /nfs/dbraw/zinc/61/87/10/804618710.db2.gz WIVBMBVAWZXJPP-YUTCNCBUSA-N 2 2 294.399 0.550 20 0 CCADLP CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001220520561 804618717 /nfs/dbraw/zinc/61/87/17/804618717.db2.gz WIVBMBVAWZXJPP-YUTCNCBUSA-N 2 2 294.399 0.550 20 0 CCADLP C[NH+]1C(C)(C)CC(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC1(C)C ZINC001220511279 804619016 /nfs/dbraw/zinc/61/90/16/804619016.db2.gz SRDIXLSPMXVABP-RYUDHWBXSA-N 3 2 282.432 0.301 20 0 CCADLP O=C(NCC(F)(F)c1ccccn1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220569370 804625460 /nfs/dbraw/zinc/62/54/60/804625460.db2.gz JZEJSCPXLFDWIL-GXFFZTMASA-N 2 2 296.321 0.241 20 0 CCADLP C[C@H](CCc1ccccc1)NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001220577503 804630033 /nfs/dbraw/zinc/63/00/33/804630033.db2.gz UPMJNFPYGMFFHH-XBFCOCLRSA-N 2 2 261.369 0.671 20 0 CCADLP Cn1nc(CNC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)c2ccccc21 ZINC001220632453 804640785 /nfs/dbraw/zinc/64/07/85/804640785.db2.gz YHCKYWIJRKVZLD-GFCCVEGCSA-N 2 2 298.350 0.483 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@@H]([NH3+])C(C)(C)C ZINC001220725241 804656479 /nfs/dbraw/zinc/65/64/79/804656479.db2.gz OSXGLXCZDPDLRS-VXGBXAGGSA-N 2 2 271.405 0.587 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C[C@@H]([NH3+])C(C)(C)C ZINC001220725241 804656482 /nfs/dbraw/zinc/65/64/82/804656482.db2.gz OSXGLXCZDPDLRS-VXGBXAGGSA-N 2 2 271.405 0.587 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])CC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC001220725508 804656586 /nfs/dbraw/zinc/65/65/86/804656586.db2.gz SVZXKNFZRHBGOQ-AVGNSLFASA-N 2 2 271.405 0.587 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])CC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC001220725508 804656589 /nfs/dbraw/zinc/65/65/89/804656589.db2.gz SVZXKNFZRHBGOQ-AVGNSLFASA-N 2 2 271.405 0.587 20 0 CCADLP COC(=O)C[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C1CCCCC1 ZINC001220731332 804658347 /nfs/dbraw/zinc/65/83/47/804658347.db2.gz LJPFYNLPVORMIC-AVGNSLFASA-N 2 2 297.399 0.161 20 0 CCADLP O=C(NCc1cc(F)cnc1Cl)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220811067 804671642 /nfs/dbraw/zinc/67/16/42/804671642.db2.gz XKGRSKLGONGNTJ-BKDNQFJXSA-N 2 2 298.749 0.440 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C(F)(F)F)CC1 ZINC001220838134 804678438 /nfs/dbraw/zinc/67/84/38/804678438.db2.gz AYZGUYYGIDXYBP-ZETCQYMHSA-N 2 2 262.235 0.491 20 0 CCADLP C[N@@H+]1CCCn2nc(C(=O)N[C@H]3CCC[NH2+]C3)cc2C1 ZINC001220898262 804696198 /nfs/dbraw/zinc/69/61/98/804696198.db2.gz DEVBXSKFTWVUDW-NSHDSACASA-N 2 2 277.372 0.200 20 0 CCADLP C[N@H+]1CCCn2nc(C(=O)N[C@H]3CCC[NH2+]C3)cc2C1 ZINC001220898262 804696202 /nfs/dbraw/zinc/69/62/02/804696202.db2.gz DEVBXSKFTWVUDW-NSHDSACASA-N 2 2 277.372 0.200 20 0 CCADLP COC[C@H](NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)C1CC1 ZINC001221012815 804718145 /nfs/dbraw/zinc/71/81/45/804718145.db2.gz CEBMDZLIPVJCOU-KBPBESRZSA-N 2 2 277.368 0.800 20 0 CCADLP CCOc1ccc([C@@H](C)NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc1 ZINC001221084877 804728938 /nfs/dbraw/zinc/72/89/38/804728938.db2.gz XBJUNKNLGCMRRE-SWHYSGLUSA-N 2 2 277.368 0.809 20 0 CCADLP CCn1cc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)ccc1=O ZINC001221176599 804741074 /nfs/dbraw/zinc/74/10/74/804741074.db2.gz FWBDJNCNRRFLMA-NSHDSACASA-N 2 2 275.312 0.100 20 0 CCADLP CC(C)(C)OC[C@H]([NH3+])C(=O)NC1C[NH+](C(C)(C)C)C1 ZINC001221194869 804743390 /nfs/dbraw/zinc/74/33/90/804743390.db2.gz VTIPLQSUNPNOHV-NSHDSACASA-N 2 2 271.405 0.728 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2F)cc1 ZINC001221369463 804790574 /nfs/dbraw/zinc/79/05/74/804790574.db2.gz KXALZMKNOZDEKD-JHJVBQTASA-N 3 2 280.347 0.075 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N1C[C@H]2CC[N@@H+](CCO)C[C@H]21 ZINC001222089142 804866607 /nfs/dbraw/zinc/86/66/07/804866607.db2.gz AFQNQRNVLMPCBR-ZIAGYGMSSA-N 2 2 292.383 0.188 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N1C[C@H]2CC[N@H+](CCO)C[C@H]21 ZINC001222089142 804866612 /nfs/dbraw/zinc/86/66/12/804866612.db2.gz AFQNQRNVLMPCBR-ZIAGYGMSSA-N 2 2 292.383 0.188 20 0 CCADLP COC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222099509 804867614 /nfs/dbraw/zinc/86/76/14/804867614.db2.gz YINVCPCGCHSWRA-QWHCGFSZSA-N 2 2 280.372 0.499 20 0 CCADLP Nc1cccc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c1 ZINC001222507189 804909525 /nfs/dbraw/zinc/90/95/25/804909525.db2.gz PYZFJPDHBVLKBJ-GJZGRUSLSA-N 2 2 260.385 0.795 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]CCO ZINC001225969121 805181427 /nfs/dbraw/zinc/18/14/27/805181427.db2.gz DTXYRSFRAFWMGL-VXGBXAGGSA-N 2 2 280.372 0.352 20 0 CCADLP CN(C)C(=O)c1nc(C[NH2+]C2CCC([NH+](C)C)CC2)no1 ZINC001168294913 815081558 /nfs/dbraw/zinc/08/15/58/815081558.db2.gz GPDVVYDNQQLZGA-UHFFFAOYSA-N 2 2 295.387 0.734 20 0 CCADLP C[C@@H]1CC[C@H](C[NH2+]C[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)C[NH2+]1 ZINC001245971060 807103732 /nfs/dbraw/zinc/10/37/32/807103732.db2.gz DQNFTYCUTPTCLD-MXASKKJJSA-N 3 2 291.439 0.895 20 0 CCADLP COc1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC001246011353 807114852 /nfs/dbraw/zinc/11/48/52/807114852.db2.gz RJVKEFWGUPVASV-OLZOCXBDSA-N 2 2 280.368 0.777 20 0 CCADLP COc1cccc(OC[C@H](O)C[N@@H+]2CCC[NH2+]CC2)c1 ZINC001246014838 807116079 /nfs/dbraw/zinc/11/60/79/807116079.db2.gz SABPCDVKCHWZHW-CYBMUJFWSA-N 2 2 280.368 0.730 20 0 CCADLP COc1cccc(OC[C@H](O)C[N@H+]2CCC[NH2+]CC2)c1 ZINC001246014838 807116082 /nfs/dbraw/zinc/11/60/82/807116082.db2.gz SABPCDVKCHWZHW-CYBMUJFWSA-N 2 2 280.368 0.730 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246025875 807124117 /nfs/dbraw/zinc/12/41/17/807124117.db2.gz DHNRWNSFOPCSIM-FXUDXRNXSA-N 3 2 295.402 0.679 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246025875 807124124 /nfs/dbraw/zinc/12/41/24/807124124.db2.gz DHNRWNSFOPCSIM-FXUDXRNXSA-N 3 2 295.402 0.679 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)COCc2ccco2)C[C@H]1[NH3+] ZINC001246033318 807129115 /nfs/dbraw/zinc/12/91/15/807129115.db2.gz VGICVFMNQNXGFU-NQBHXWOUSA-N 2 2 254.330 0.436 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)COCc2ccco2)C[C@H]1[NH3+] ZINC001246033318 807129123 /nfs/dbraw/zinc/12/91/23/807129123.db2.gz VGICVFMNQNXGFU-NQBHXWOUSA-N 2 2 254.330 0.436 20 0 CCADLP CCOC(=O)N1CC[C@H]([NH2+][C@@H]2CCCC[NH2+]C2)C1 ZINC001246092067 807151172 /nfs/dbraw/zinc/15/11/72/807151172.db2.gz RUFVEFJUMLZOFW-NEPJUHHUSA-N 2 2 255.362 0.949 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCN(C2CC2)C(=O)C1 ZINC001246116948 807158865 /nfs/dbraw/zinc/15/88/65/807158865.db2.gz HCOYAJGAHWJTIC-NTZNESFSSA-N 2 2 251.374 0.727 20 0 CCADLP CCOC(=O)N1CC[C@@H]([NH2+][C@@H]2C[NH2+]CC23CC3)C1 ZINC001246128701 807160557 /nfs/dbraw/zinc/16/05/57/807160557.db2.gz FBUFKSDZNZVXIO-GHMZBOCLSA-N 2 2 253.346 0.559 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]CC23CC3)CN1 ZINC001246134673 807162052 /nfs/dbraw/zinc/16/20/52/807162052.db2.gz RPTOYINECNWOGG-GRYCIOLGSA-N 2 2 267.373 0.012 20 0 CCADLP COC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[C@@H](C(=O)OC)C1 ZINC001246150035 807167195 /nfs/dbraw/zinc/16/71/95/807167195.db2.gz FVTDZKMQKUHISR-UTUOFQBUSA-N 2 2 286.372 0.588 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]C[C@@H]2[C@H](N[C@H]3CCC[NH2+]C3)CC[C@@H]21 ZINC001246153732 807169789 /nfs/dbraw/zinc/16/97/89/807169789.db2.gz XZKOGTVCIYBBCM-YHQUGGNUSA-N 2 2 281.400 0.258 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H](n2c[nH+]c(C)c2CC[NH3+])CN1 ZINC001246175765 807177138 /nfs/dbraw/zinc/17/71/38/807177138.db2.gz AYWHOSAIXRKRAK-MNOVXSKESA-N 2 2 266.345 0.159 20 0 CCADLP C[C@H]1CC[C@H](NCC2([NH+]3CCCC3)COC2)C[NH2+]1 ZINC001246220819 807191803 /nfs/dbraw/zinc/19/18/03/807191803.db2.gz IAZBIUQZZBHRBA-STQMWFEESA-N 2 2 253.390 0.581 20 0 CCADLP CCC1(N[C@H]2C[NH2+][C@H](C(=O)OC(C)(C)C)C2)C[NH2+]C1 ZINC001246240022 807196405 /nfs/dbraw/zinc/19/64/05/807196405.db2.gz ZMYDDJWQHGGUEU-MNOVXSKESA-N 2 2 269.389 0.400 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@@H]1[NH2+]C1CCN(c2ccc(F)cc2)CC1 ZINC001246296713 807212779 /nfs/dbraw/zinc/21/27/79/807212779.db2.gz CFCSXHNTOINHQJ-LRDDRELGSA-N 2 2 293.386 0.964 20 0 CCADLP C[C@@H]1CC[C@@H]([NH2+]CCOc2ccccc2C(N)=O)C[NH2+]1 ZINC001246323944 807220549 /nfs/dbraw/zinc/22/05/49/807220549.db2.gz GAKYAUSTNKAEAF-VXGBXAGGSA-N 2 2 277.368 0.894 20 0 CCADLP CC(C)[C@H]([NH3+])CN[C@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246332900 807225067 /nfs/dbraw/zinc/22/50/67/807225067.db2.gz OBGIQDBSIGZYOW-UTUOFQBUSA-N 2 2 271.405 0.632 20 0 CCADLP CC[C@@]1(C(=O)OC)C[C@H](N[C@@H](C[NH3+])C(C)(C)C)C[NH2+]1 ZINC001246349106 807228623 /nfs/dbraw/zinc/22/86/23/807228623.db2.gz WQKLWKZZPGJKHM-MJVIPROJSA-N 2 2 271.405 0.633 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Nc2ccc(OC)c(C[NH3+])c2)C[NH2+]1 ZINC001246456118 807253695 /nfs/dbraw/zinc/25/36/95/807253695.db2.gz YZJRGYWEVZSYDA-NEPJUHHUSA-N 2 2 279.340 0.469 20 0 CCADLP [NH3+]C[C@H]1Cc2ccccc2C[N@@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246487023 807263855 /nfs/dbraw/zinc/26/38/55/807263855.db2.gz YXFJYJQIPYGRNZ-JKSUJKDBSA-N 3 2 286.423 0.466 20 0 CCADLP [NH3+]C[C@H]1Cc2ccccc2C[N@H+]1[C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246487023 807263860 /nfs/dbraw/zinc/26/38/60/807263860.db2.gz YXFJYJQIPYGRNZ-JKSUJKDBSA-N 3 2 286.423 0.466 20 0 CCADLP COC(=O)[C@H]1C[C@@H](N[C@H](C[NH3+])c2ccccc2)C[NH2+]1 ZINC001246507237 807268566 /nfs/dbraw/zinc/26/85/66/807268566.db2.gz MAGKNSWIVYFWBL-JHJVBQTASA-N 2 2 263.341 0.180 20 0 CCADLP C[C@]1(C[NH3+])CCCC[N@@H+]([C@H]2CCS(=O)(=O)C2)C1 ZINC001246588258 807307648 /nfs/dbraw/zinc/30/76/48/807307648.db2.gz YHXKRCXULWSQKY-NWDGAFQWSA-N 2 2 260.403 0.624 20 0 CCADLP C[C@]1(C[NH3+])CCCC[N@H+]([C@H]2CCS(=O)(=O)C2)C1 ZINC001246588258 807307655 /nfs/dbraw/zinc/30/76/55/807307655.db2.gz YHXKRCXULWSQKY-NWDGAFQWSA-N 2 2 260.403 0.624 20 0 CCADLP CCOC(=O)N1CC[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)C1 ZINC001246586156 807307440 /nfs/dbraw/zinc/30/74/40/807307440.db2.gz MQRLRAXZJKPGLH-QJPTWQEYSA-N 2 2 273.352 0.978 20 0 CCADLP CCOC(=O)N1CC[C@H]([N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)C1 ZINC001246586156 807307449 /nfs/dbraw/zinc/30/74/49/807307449.db2.gz MQRLRAXZJKPGLH-QJPTWQEYSA-N 2 2 273.352 0.978 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]([N@@H+]2CCC[C@@]23CCC[NH2+]C3)CCN1 ZINC001246609733 807321663 /nfs/dbraw/zinc/32/16/63/807321663.db2.gz MYBLMUIPFZHWAZ-IJEWVQPXSA-N 2 2 295.427 0.888 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]([N@H+]2CCC[C@@]23CCC[NH2+]C3)CCN1 ZINC001246609733 807321667 /nfs/dbraw/zinc/32/16/67/807321667.db2.gz MYBLMUIPFZHWAZ-IJEWVQPXSA-N 2 2 295.427 0.888 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([N@@H+]2CCC[C@]23CCC[NH2+]C3)CCN1 ZINC001246609601 807322365 /nfs/dbraw/zinc/32/23/65/807322365.db2.gz MAKCRTJVOQJXSX-IPYPFGDCSA-N 2 2 281.400 0.498 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([N@H+]2CCC[C@]23CCC[NH2+]C3)CCN1 ZINC001246609601 807322375 /nfs/dbraw/zinc/32/23/75/807322375.db2.gz MAKCRTJVOQJXSX-IPYPFGDCSA-N 2 2 281.400 0.498 20 0 CCADLP OCC[NH+](CCO)CCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168353691 815109113 /nfs/dbraw/zinc/10/91/13/815109113.db2.gz QHOJWRWMPHXNQZ-UHFFFAOYSA-N 3 2 299.459 0.127 20 0 CCADLP COC(=O)[C@@H]1CCC[C@H](N2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)C1 ZINC001246619729 807329168 /nfs/dbraw/zinc/32/91/68/807329168.db2.gz UFDOEZRSQGZZBT-QPSCCSFWSA-N 2 2 295.427 0.744 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH+]2CCC3(CCC[NH2+]3)CC2)CN1 ZINC001246623982 807331602 /nfs/dbraw/zinc/33/16/02/807331602.db2.gz NHQHIKDXKFYFFA-STQMWFEESA-N 2 2 281.400 0.498 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)CO1 ZINC001246638528 807341373 /nfs/dbraw/zinc/34/13/73/807341373.db2.gz MDNKWMFBVMOKSQ-LPWJVIDDSA-N 2 2 268.357 0.533 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3[NH2+]CC[C@H]32)CO1 ZINC001246638528 807341382 /nfs/dbraw/zinc/34/13/82/807341382.db2.gz MDNKWMFBVMOKSQ-LPWJVIDDSA-N 2 2 268.357 0.533 20 0 CCADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN[C@]3(CC[NH2+]C3)C1)C2 ZINC001246643838 807342203 /nfs/dbraw/zinc/34/22/03/807342203.db2.gz QCISGRMXZUCAOV-FZKCQIBNSA-N 3 2 278.444 0.639 20 0 CCADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCN[C@]3(CC[NH2+]C3)C1)C2 ZINC001246643838 807342212 /nfs/dbraw/zinc/34/22/12/807342212.db2.gz QCISGRMXZUCAOV-FZKCQIBNSA-N 3 2 278.444 0.639 20 0 CCADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1CCN[C@]3(CC[NH2+]C3)C1)C2 ZINC001246643838 807342221 /nfs/dbraw/zinc/34/22/21/807342221.db2.gz QCISGRMXZUCAOV-FZKCQIBNSA-N 3 2 278.444 0.639 20 0 CCADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1CCN[C@]3(CC[NH2+]C3)C1)C2 ZINC001246643838 807342229 /nfs/dbraw/zinc/34/22/29/807342229.db2.gz QCISGRMXZUCAOV-FZKCQIBNSA-N 3 2 278.444 0.639 20 0 CCADLP CCOC(=O)[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CCN1 ZINC001246656578 807347341 /nfs/dbraw/zinc/34/73/41/807347341.db2.gz NKCGQLYEMNDBQL-ZJQBRPOHSA-N 2 2 267.373 0.093 20 0 CCADLP CCOC(=O)[C@@H]1C[C@@H]([N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CCN1 ZINC001246656578 807347350 /nfs/dbraw/zinc/34/73/50/807347350.db2.gz NKCGQLYEMNDBQL-ZJQBRPOHSA-N 2 2 267.373 0.093 20 0 CCADLP CC(=O)N1CCO[C@@H]2CC[N@@H+]([C@H]3CCC[NH2+]C3)CC[C@@H]21 ZINC001246693340 807356842 /nfs/dbraw/zinc/35/68/42/807356842.db2.gz JBJLKDNLNFYRJH-SOUVJXGZSA-N 2 2 281.400 0.450 20 0 CCADLP CC(=O)N1CCO[C@@H]2CC[N@H+]([C@H]3CCC[NH2+]C3)CC[C@@H]21 ZINC001246693340 807356850 /nfs/dbraw/zinc/35/68/50/807356850.db2.gz JBJLKDNLNFYRJH-SOUVJXGZSA-N 2 2 281.400 0.450 20 0 CCADLP CCCCC[NH+]1CCN([C@H]2C[NH2+][C@H](C(=O)OC)C2)CC1 ZINC001246791121 807382097 /nfs/dbraw/zinc/38/20/97/807382097.db2.gz QCGDPSUUCKIPFI-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@@H]1CC[C@H]([NH+]2CCC3(CC2)CC(=O)NC(=O)C3)C[NH2+]1 ZINC001246848237 807405104 /nfs/dbraw/zinc/40/51/04/807405104.db2.gz XUKZLFVLBXDWMG-NEPJUHHUSA-N 2 2 279.384 0.646 20 0 CCADLP COC(=O)[C@H]([NH3+])[C@@H]1CCCN([C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC001246927578 807430159 /nfs/dbraw/zinc/43/01/59/807430159.db2.gz XAZHXVNAVIMAEE-QNWHQSFQSA-N 2 2 269.389 0.339 20 0 CCADLP COC(=O)CC1CCC([N@@H+]2C[C@H]([NH3+])[C@H](C(=O)OC)C2)CC1 ZINC001246935864 807434772 /nfs/dbraw/zinc/43/47/72/807434772.db2.gz ZGSCFQOKQHMMKZ-TUUUFIMRSA-N 2 2 298.383 0.540 20 0 CCADLP COC(=O)CC1CCC([N@H+]2C[C@H]([NH3+])[C@H](C(=O)OC)C2)CC1 ZINC001246935864 807434777 /nfs/dbraw/zinc/43/47/77/807434777.db2.gz ZGSCFQOKQHMMKZ-TUUUFIMRSA-N 2 2 298.383 0.540 20 0 CCADLP CCOCC[NH+](C1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001246948964 807438528 /nfs/dbraw/zinc/43/85/28/807438528.db2.gz HBKFPMVCCUIAFI-UHFFFAOYSA-N 3 2 255.406 0.829 20 0 CCADLP [NH3+]CC(=O)NCc1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001247627021 807472910 /nfs/dbraw/zinc/47/29/10/807472910.db2.gz QTKSFYGUYMEIEJ-UHFFFAOYSA-N 2 2 298.306 0.497 20 0 CCADLP [NH3+]C[C@H]([NH3+])Cc1nc(-c2cccc3c2CCC3=O)no1 ZINC001249129632 807544671 /nfs/dbraw/zinc/54/46/71/807544671.db2.gz PLKGOMZHSOCWQL-MRVPVSSYSA-N 2 2 272.308 0.694 20 0 CCADLP CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001075967089 815130170 /nfs/dbraw/zinc/13/01/70/815130170.db2.gz GTNWZMUWJWVYJM-HZSPNIEDSA-N 2 2 288.395 0.998 20 0 CCADLP CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001075967089 815130173 /nfs/dbraw/zinc/13/01/73/815130173.db2.gz GTNWZMUWJWVYJM-HZSPNIEDSA-N 2 2 288.395 0.998 20 0 CCADLP CC(C)[N@H+](C[C@H](O)CN1CCOCC1)C1CC[NH+](C)CC1 ZINC001251023722 807644811 /nfs/dbraw/zinc/64/48/11/807644811.db2.gz LFUUYYNHAHOEBC-MRXNPFEDSA-N 2 2 299.459 0.484 20 0 CCADLP CC(C)[N@@H+](C[C@H](O)CN1CCOCC1)C1CC[NH+](C)CC1 ZINC001251023722 807644818 /nfs/dbraw/zinc/64/48/18/807644818.db2.gz LFUUYYNHAHOEBC-MRXNPFEDSA-N 2 2 299.459 0.484 20 0 CCADLP CC[C@@H](O)C[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001251769545 807703917 /nfs/dbraw/zinc/70/39/17/807703917.db2.gz VIKHVPKINBSVIB-OWCLPIDISA-N 2 2 292.427 0.945 20 0 CCADLP CC[C@@H](O)C[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001251769545 807703919 /nfs/dbraw/zinc/70/39/19/807703919.db2.gz VIKHVPKINBSVIB-OWCLPIDISA-N 2 2 292.427 0.945 20 0 CCADLP CC[C@@H](O)C[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001251769545 807703924 /nfs/dbraw/zinc/70/39/24/807703924.db2.gz VIKHVPKINBSVIB-OWCLPIDISA-N 2 2 292.427 0.945 20 0 CCADLP CC[C@@H](O)C[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001251769545 807703929 /nfs/dbraw/zinc/70/39/29/807703929.db2.gz VIKHVPKINBSVIB-OWCLPIDISA-N 2 2 292.427 0.945 20 0 CCADLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](C[C@H](O)CO)C2)C1 ZINC001252057533 807781858 /nfs/dbraw/zinc/78/18/58/807781858.db2.gz KCEZLGTUXQMBLR-LSDHHAIUSA-N 2 2 286.416 0.162 20 0 CCADLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](C[C@H](O)CO)C2)C1 ZINC001252057533 807781862 /nfs/dbraw/zinc/78/18/62/807781862.db2.gz KCEZLGTUXQMBLR-LSDHHAIUSA-N 2 2 286.416 0.162 20 0 CCADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](C[C@H](O)CO)C2)C1 ZINC001252057533 807781864 /nfs/dbraw/zinc/78/18/64/807781864.db2.gz KCEZLGTUXQMBLR-LSDHHAIUSA-N 2 2 286.416 0.162 20 0 CCADLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](C[C@H](O)CO)C2)C1 ZINC001252057533 807781866 /nfs/dbraw/zinc/78/18/66/807781866.db2.gz KCEZLGTUXQMBLR-LSDHHAIUSA-N 2 2 286.416 0.162 20 0 CCADLP CO[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)CO ZINC001252075374 807793561 /nfs/dbraw/zinc/79/35/61/807793561.db2.gz JDCZZDJMYOGMMC-JYJNAYRXSA-N 2 2 294.395 0.219 20 0 CCADLP CO[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)CO ZINC001252075374 807793563 /nfs/dbraw/zinc/79/35/63/807793563.db2.gz JDCZZDJMYOGMMC-JYJNAYRXSA-N 2 2 294.395 0.219 20 0 CCADLP CC(C)(O)C[NH2+][C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001252369862 807816335 /nfs/dbraw/zinc/81/63/35/807816335.db2.gz CZZANOIOLYBOQH-CYBMUJFWSA-N 2 2 256.390 0.848 20 0 CCADLP CC(C)(O)C[NH2+][C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001252369862 807816344 /nfs/dbraw/zinc/81/63/44/807816344.db2.gz CZZANOIOLYBOQH-CYBMUJFWSA-N 2 2 256.390 0.848 20 0 CCADLP COCC[N@@H+](C[C@@H](O)COC(C)C)C1CC[NH+](C)CC1 ZINC001252674054 807937276 /nfs/dbraw/zinc/93/72/76/807937276.db2.gz AWYCRYIYIZGRAG-OAHLLOKOSA-N 2 2 288.432 0.815 20 0 CCADLP CCC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001252806300 807962555 /nfs/dbraw/zinc/96/25/55/807962555.db2.gz SHQDOOZSEVQOFP-GXTWGEPZSA-N 2 2 256.390 0.990 20 0 CCADLP CCC[C@@H](O)C[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001252806300 807962557 /nfs/dbraw/zinc/96/25/57/807962557.db2.gz SHQDOOZSEVQOFP-GXTWGEPZSA-N 2 2 256.390 0.990 20 0 CCADLP O=C1C[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CO1 ZINC001252946045 807988719 /nfs/dbraw/zinc/98/87/19/807988719.db2.gz MWDSUAUGYVFRHY-HOCLYGCPSA-N 2 2 290.363 0.529 20 0 CCADLP O=C1C[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CO1 ZINC001252946045 807988727 /nfs/dbraw/zinc/98/87/27/807988727.db2.gz MWDSUAUGYVFRHY-HOCLYGCPSA-N 2 2 290.363 0.529 20 0 CCADLP C[N@@H+]1CCC[C@H]2C[NH+](CC3(O)CCOCC3)C[C@H]21 ZINC001252966143 807993936 /nfs/dbraw/zinc/99/39/36/807993936.db2.gz UDBFYYHPYDLUDO-QWHCGFSZSA-N 2 2 254.374 0.554 20 0 CCADLP C[N@H+]1CCC[C@H]2C[NH+](CC3(O)CCOCC3)C[C@H]21 ZINC001252966143 807993939 /nfs/dbraw/zinc/99/39/39/807993939.db2.gz UDBFYYHPYDLUDO-QWHCGFSZSA-N 2 2 254.374 0.554 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@H+](CC3(O)CCOCC3)C[C@H]21 ZINC001252966143 807993941 /nfs/dbraw/zinc/99/39/41/807993941.db2.gz UDBFYYHPYDLUDO-QWHCGFSZSA-N 2 2 254.374 0.554 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@@H+](CC3(O)CCOCC3)C[C@H]21 ZINC001252966143 807993942 /nfs/dbraw/zinc/99/39/42/807993942.db2.gz UDBFYYHPYDLUDO-QWHCGFSZSA-N 2 2 254.374 0.554 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCc2ccc(=O)[nH]c2CC1 ZINC001253188035 808023163 /nfs/dbraw/zinc/02/31/63/808023163.db2.gz NRFBMEHFANEAIE-CQSZACIVSA-N 2 2 293.411 0.891 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCc2ccc(=O)[nH]c2CC1 ZINC001253188035 808023171 /nfs/dbraw/zinc/02/31/71/808023171.db2.gz NRFBMEHFANEAIE-CQSZACIVSA-N 2 2 293.411 0.891 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@H](C(=O)OC)CC1 ZINC001253192289 808025902 /nfs/dbraw/zinc/02/59/02/808025902.db2.gz NPXDJVVFWYSHEZ-KBPBESRZSA-N 2 2 286.416 0.964 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@H](C(=O)OC)CC1 ZINC001253192289 808025908 /nfs/dbraw/zinc/02/59/08/808025908.db2.gz NPXDJVVFWYSHEZ-KBPBESRZSA-N 2 2 286.416 0.964 20 0 CCADLP CC[NH+](CC)C[C@H](O)CN1CC([NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC001253192677 808026783 /nfs/dbraw/zinc/02/67/83/808026783.db2.gz WREXBURTXZSJLT-FMKPAKJESA-N 2 2 299.459 0.483 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NCC1CC([NH2+]CCCO)C1 ZINC001101064039 815169453 /nfs/dbraw/zinc/16/94/53/815169453.db2.gz UYKHJCRTUCELCY-UHFFFAOYSA-N 2 2 294.399 0.530 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCC[C@]2(CCC(=O)O2)C1 ZINC001253395844 808054636 /nfs/dbraw/zinc/05/46/36/808054636.db2.gz NMPWQFOJRKCMHM-DOMZBBRYSA-N 2 2 284.400 0.907 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@]2(CCC(=O)O2)C1 ZINC001253395844 808054642 /nfs/dbraw/zinc/05/46/42/808054642.db2.gz NMPWQFOJRKCMHM-DOMZBBRYSA-N 2 2 284.400 0.907 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)CN1CC([N@@H+]2CCOC(C)(C)C2)C1 ZINC001253394671 808055406 /nfs/dbraw/zinc/05/54/06/808055406.db2.gz QIRFFMOXNFIWTA-CQSZACIVSA-N 2 2 299.459 0.530 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)CN1CC([N@H+]2CCOC(C)(C)C2)C1 ZINC001253394671 808055413 /nfs/dbraw/zinc/05/54/13/808055413.db2.gz QIRFFMOXNFIWTA-CQSZACIVSA-N 2 2 299.459 0.530 20 0 CCADLP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@H](O)C(=O)OC(C)(C)C)C2)C1 ZINC001253691586 808119056 /nfs/dbraw/zinc/11/90/56/808119056.db2.gz RHZGKZUUEINYBW-IUODEOHRSA-N 2 2 284.400 0.717 20 0 CCADLP C[N@H+]1CC[C@@]2(CC[NH+](C[C@@H](O)C(=O)OC(C)(C)C)C2)C1 ZINC001253691586 808119061 /nfs/dbraw/zinc/11/90/61/808119061.db2.gz RHZGKZUUEINYBW-IUODEOHRSA-N 2 2 284.400 0.717 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@H+](C[C@@H](O)C(=O)OC(C)(C)C)C2)C1 ZINC001253691586 808119066 /nfs/dbraw/zinc/11/90/66/808119066.db2.gz RHZGKZUUEINYBW-IUODEOHRSA-N 2 2 284.400 0.717 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@H](O)C(=O)OC(C)(C)C)C2)C1 ZINC001253691586 808119071 /nfs/dbraw/zinc/11/90/71/808119071.db2.gz RHZGKZUUEINYBW-IUODEOHRSA-N 2 2 284.400 0.717 20 0 CCADLP NC(=O)COC1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC001254177961 808194076 /nfs/dbraw/zinc/19/40/76/808194076.db2.gz QJNNIHOKDOXEFH-UHFFFAOYSA-N 2 2 266.345 0.240 20 0 CCADLP C[NH+]1CC(C(=O)Nc2ccnn2-c2cc[nH+]cc2)C1 ZINC001142593828 815186361 /nfs/dbraw/zinc/18/63/61/815186361.db2.gz MVWCMTICWPSDLM-UHFFFAOYSA-N 2 2 257.297 0.767 20 0 CCADLP CCOC(=O)CN1CCC([NH2+]C2(C[NH3+])CC2)CC1 ZINC001254401908 808233810 /nfs/dbraw/zinc/23/38/10/808233810.db2.gz ZZUGYJPOISYRQQ-UHFFFAOYSA-N 2 2 255.362 0.095 20 0 CCADLP CCOC(=O)C[NH+]1CCC(n2ncc3c2CC[NH2+]C3)CC1 ZINC001254405020 808234444 /nfs/dbraw/zinc/23/44/44/808234444.db2.gz IPLQHKUECYDSNK-UHFFFAOYSA-N 2 2 292.383 0.729 20 0 CCADLP C[C@@H]1COCCN1CC[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254845499 808286975 /nfs/dbraw/zinc/28/69/75/808286975.db2.gz OEFAKUCKAFJAAL-UKRRQHHQSA-N 2 2 267.417 0.781 20 0 CCADLP O[C@H]1CCCN(CC[NH2+][C@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254848345 808287001 /nfs/dbraw/zinc/28/70/01/808287001.db2.gz OUFGEGZHACCWMK-GJZGRUSLSA-N 2 2 267.417 0.517 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](O)C[NH2+]C(C)C ZINC001278828008 808299942 /nfs/dbraw/zinc/29/99/42/808299942.db2.gz SGDDDWWYDWACLC-NSHDSACASA-N 2 2 268.361 0.078 20 0 CCADLP [NH3+]C[C@H](O)C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255383079 808351744 /nfs/dbraw/zinc/35/17/44/808351744.db2.gz ZOVQTALIGIKQBK-CVEARBPZSA-N 3 2 277.412 0.950 20 0 CCADLP [NH3+]C[C@H](O)C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255383079 808351752 /nfs/dbraw/zinc/35/17/52/808351752.db2.gz ZOVQTALIGIKQBK-CVEARBPZSA-N 3 2 277.412 0.950 20 0 CCADLP CCOC(=O)[C@@H]([NH3+])Cc1cn([C@H]2CCC[N@H+](C)C2)cn1 ZINC001255479880 808383599 /nfs/dbraw/zinc/38/35/99/808383599.db2.gz NITYZHLYVHMGNT-STQMWFEESA-N 2 2 280.372 0.583 20 0 CCADLP CCOC(=O)[C@@H]([NH3+])Cc1cn([C@H]2CCC[N@@H+](C)C2)cn1 ZINC001255479880 808383604 /nfs/dbraw/zinc/38/36/04/808383604.db2.gz NITYZHLYVHMGNT-STQMWFEESA-N 2 2 280.372 0.583 20 0 CCADLP CN(C(=O)CCc1c[nH]c[nH+]1)C1CC[NH+](C)CC1 ZINC001255670662 808420426 /nfs/dbraw/zinc/42/04/26/808420426.db2.gz NVDCVCSIBCZFMC-UHFFFAOYSA-N 2 2 250.346 0.895 20 0 CCADLP CN(C(=O)CCc1c[nH+]c[nH]1)C1CC[NH+](C)CC1 ZINC001255670662 808420430 /nfs/dbraw/zinc/42/04/30/808420430.db2.gz NVDCVCSIBCZFMC-UHFFFAOYSA-N 2 2 250.346 0.895 20 0 CCADLP CCOC(=O)N1CC[C@@H]([NH2+][C@@]2(C[NH3+])CN3CCC2CC3)C1 ZINC001256020789 808451092 /nfs/dbraw/zinc/45/10/92/808451092.db2.gz QZRBPSWAALOSFK-HIFRSBDPSA-N 2 2 296.415 0.230 20 0 CCADLP CN(C)C(=O)C[NH+]1CCN(C2CC[NH+](C3CC3)CC2)CC1 ZINC001256076080 808467778 /nfs/dbraw/zinc/46/77/78/808467778.db2.gz AXYRSSWUTAQBOX-UHFFFAOYSA-N 2 2 294.443 0.319 20 0 CCADLP C1CC1[NH+]1CCC([NH2+]C2CN(C3COC3)C2)CC1 ZINC001256072032 808468079 /nfs/dbraw/zinc/46/80/79/808468079.db2.gz VVULMJQGFXFFCK-UHFFFAOYSA-N 2 2 251.374 0.286 20 0 CCADLP CCNC(=O)CO[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001256209588 808481388 /nfs/dbraw/zinc/48/13/88/808481388.db2.gz YWPGECPEVUWLSQ-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP CCNC(=O)CO[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001256209588 808481392 /nfs/dbraw/zinc/48/13/92/808481392.db2.gz YWPGECPEVUWLSQ-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@@H](CC(=O)N1CCOCC1)[N@@H+]1CCC[C@H]([NH3+])C1 ZINC001256321356 808493322 /nfs/dbraw/zinc/49/33/22/808493322.db2.gz JMEGQETUOMZYGJ-RYUDHWBXSA-N 2 2 255.362 0.047 20 0 CCADLP C[C@@H](CC(=O)N1CCOCC1)[N@H+]1CCC[C@H]([NH3+])C1 ZINC001256321356 808493327 /nfs/dbraw/zinc/49/33/27/808493327.db2.gz JMEGQETUOMZYGJ-RYUDHWBXSA-N 2 2 255.362 0.047 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[NH2+]CCOc1cc[nH+]cc1 ZINC001256334168 808499474 /nfs/dbraw/zinc/49/94/74/808499474.db2.gz DJDDBULOZFUAPL-CYBMUJFWSA-N 2 2 293.367 0.687 20 0 CCADLP C[C@H]([NH2+]CCCO)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001279047898 808637448 /nfs/dbraw/zinc/63/74/48/808637448.db2.gz YWOIKMRMMMRHTM-QWHCGFSZSA-N 2 2 280.372 0.092 20 0 CCADLP C[C@@H]1OC[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)[C@@H]1C ZINC001262198451 809237598 /nfs/dbraw/zinc/23/75/98/809237598.db2.gz MUOSQXHTUYVOFJ-CBBWQLFWSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@@H]1OC[C@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)[C@@H]1C ZINC001262198451 809237600 /nfs/dbraw/zinc/23/76/00/809237600.db2.gz MUOSQXHTUYVOFJ-CBBWQLFWSA-N 2 2 297.443 0.942 20 0 CCADLP Cc1cc(NCC[N@H+]2CCOC[C@H]2C)nc(N)[nH+]1 ZINC001262353113 809289027 /nfs/dbraw/zinc/28/90/27/809289027.db2.gz IDLUHWKEKYMTBI-SNVBAGLBSA-N 2 2 251.334 0.500 20 0 CCADLP [NH3+][C@H]1CCCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001262580239 809354523 /nfs/dbraw/zinc/35/45/23/809354523.db2.gz LNMODMGKVGGWHK-WDEREUQCSA-N 2 2 263.345 0.331 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC001263110226 809450009 /nfs/dbraw/zinc/45/00/09/809450009.db2.gz QQYAYPQAPJKFMG-DDHJBXDOSA-N 2 2 262.357 0.767 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)CC[NH2+]C1CC1 ZINC001263198840 809479327 /nfs/dbraw/zinc/47/93/27/809479327.db2.gz MVJQZCNOKISADE-GFCCVEGCSA-N 2 2 269.389 0.356 20 0 CCADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1S(=O)(=O)CC[NH3+] ZINC000382733755 809552049 /nfs/dbraw/zinc/55/20/49/809552049.db2.gz FDGOFMJMPPXELA-CYBMUJFWSA-N 2 2 297.424 0.481 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1S(=O)(=O)CC[NH3+] ZINC000382733755 809552053 /nfs/dbraw/zinc/55/20/53/809552053.db2.gz FDGOFMJMPPXELA-CYBMUJFWSA-N 2 2 297.424 0.481 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)[C@@H](C)C[N@@H+]1C ZINC001263772369 809567569 /nfs/dbraw/zinc/56/75/69/809567569.db2.gz KMTYVKOSTJCZGV-NEPJUHHUSA-N 2 2 264.373 0.904 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)[C@@H](C)C[N@H+]1C ZINC001263772369 809567571 /nfs/dbraw/zinc/56/75/71/809567571.db2.gz KMTYVKOSTJCZGV-NEPJUHHUSA-N 2 2 264.373 0.904 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CCc1[nH+]ccn1C ZINC001263772370 809567839 /nfs/dbraw/zinc/56/78/39/809567839.db2.gz KMTYVKOSTJCZGV-NWDGAFQWSA-N 2 2 264.373 0.904 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CCc1[nH+]ccn1C ZINC001263772370 809567843 /nfs/dbraw/zinc/56/78/43/809567843.db2.gz KMTYVKOSTJCZGV-NWDGAFQWSA-N 2 2 264.373 0.904 20 0 CCADLP CN(C[C@H]1CC[N@@H+]1CCCF)C(=O)Cc1c[nH+]c[nH]1 ZINC001263812545 809575295 /nfs/dbraw/zinc/57/52/95/809575295.db2.gz OSFUYRODCHPUFS-GFCCVEGCSA-N 2 2 268.336 0.845 20 0 CCADLP CN(C[C@H]1CC[N@H+]1CCCF)C(=O)Cc1c[nH+]c[nH]1 ZINC001263812545 809575303 /nfs/dbraw/zinc/57/53/03/809575303.db2.gz OSFUYRODCHPUFS-GFCCVEGCSA-N 2 2 268.336 0.845 20 0 CCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@H]([NH2+]CCCF)C1 ZINC001265437010 809779411 /nfs/dbraw/zinc/77/94/11/809779411.db2.gz UFQDHFCZUAXTHX-OLZOCXBDSA-N 2 2 294.374 0.996 20 0 CCADLP COCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001265546327 809802571 /nfs/dbraw/zinc/80/25/71/809802571.db2.gz JIFGKTZDPOJKKO-UPJWGTAASA-N 2 2 292.383 0.329 20 0 CCADLP CC[C@H](C(=O)NCCC[N@H+](C)Cc1nonc1C)[NH+](C)C ZINC001265954359 809903973 /nfs/dbraw/zinc/90/39/73/809903973.db2.gz OJGNVQFPXNGSSV-CYBMUJFWSA-N 2 2 297.403 0.656 20 0 CCADLP CC[C@H](C(=O)NCCC[N@@H+](C)Cc1nonc1C)[NH+](C)C ZINC001265954359 809903976 /nfs/dbraw/zinc/90/39/76/809903976.db2.gz OJGNVQFPXNGSSV-CYBMUJFWSA-N 2 2 297.403 0.656 20 0 CCADLP COCC[NH2+][C@H]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001266070266 809929997 /nfs/dbraw/zinc/92/99/97/809929997.db2.gz AHQHKIXDGKOSFF-NWDGAFQWSA-N 2 2 280.372 0.616 20 0 CCADLP CCOCC[N@H+](C)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001266113730 809937080 /nfs/dbraw/zinc/93/70/80/809937080.db2.gz SAAWLORUCPDZRK-ZDUSSCGKSA-N 2 2 294.399 0.912 20 0 CCADLP CCOCC[N@@H+](C)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001266113730 809937084 /nfs/dbraw/zinc/93/70/84/809937084.db2.gz SAAWLORUCPDZRK-ZDUSSCGKSA-N 2 2 294.399 0.912 20 0 CCADLP COCCC[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001267306637 811128734 /nfs/dbraw/zinc/12/87/34/811128734.db2.gz JCNNRYJHGGDIAW-ZDUSSCGKSA-N 2 2 294.399 0.437 20 0 CCADLP COCCC[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001267306637 811128736 /nfs/dbraw/zinc/12/87/36/811128736.db2.gz JCNNRYJHGGDIAW-ZDUSSCGKSA-N 2 2 294.399 0.437 20 0 CCADLP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]Cc2ncccn2)CC[N@@H+]1C ZINC001267375127 811235691 /nfs/dbraw/zinc/23/56/91/811235691.db2.gz VTLTZNXNTPBZCY-CHWSQXEVSA-N 2 2 291.399 0.365 20 0 CCADLP C[C@@H]1[C@H](C(=O)N(C)CC[NH2+]Cc2ncccn2)CC[N@H+]1C ZINC001267375127 811235697 /nfs/dbraw/zinc/23/56/97/811235697.db2.gz VTLTZNXNTPBZCY-CHWSQXEVSA-N 2 2 291.399 0.365 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1cnon1 ZINC001267379339 811240808 /nfs/dbraw/zinc/24/08/08/811240808.db2.gz BAGREKZQDZEXJP-CYBMUJFWSA-N 2 2 295.387 0.492 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1cnon1 ZINC001267379339 811240813 /nfs/dbraw/zinc/24/08/13/811240813.db2.gz BAGREKZQDZEXJP-CYBMUJFWSA-N 2 2 295.387 0.492 20 0 CCADLP CN(CC[NH2+]CCC1CC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001267445839 811312163 /nfs/dbraw/zinc/31/21/63/811312163.db2.gz ILXGGQALBYUFQX-UHFFFAOYSA-N 2 2 250.346 0.800 20 0 CCADLP CC[N@@H+]1CC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001042249041 811618615 /nfs/dbraw/zinc/61/86/15/811618615.db2.gz FGGFQSBDYUULDU-WCQYABFASA-N 2 2 262.357 0.895 20 0 CCADLP CC[N@H+]1CC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]21 ZINC001042249041 811618621 /nfs/dbraw/zinc/61/86/21/811618621.db2.gz FGGFQSBDYUULDU-WCQYABFASA-N 2 2 262.357 0.895 20 0 CCADLP CCCC[NH+]1CC(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001267662668 811629790 /nfs/dbraw/zinc/62/97/90/811629790.db2.gz ZXEQEFXDTHVDHI-UHFFFAOYSA-N 2 2 269.389 0.309 20 0 CCADLP O=C(NCCC1=CCCCC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220254750 811726826 /nfs/dbraw/zinc/72/68/26/811726826.db2.gz WCIFITNIQSBZAR-HIFRSBDPSA-N 2 2 263.385 0.945 20 0 CCADLP [NH3+]CCCCNC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001221347334 811766620 /nfs/dbraw/zinc/76/66/20/811766620.db2.gz RXHOSLVJOIHOOR-LBPRGKRZSA-N 3 2 250.346 0.114 20 0 CCADLP CCOCCC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001267774536 811774183 /nfs/dbraw/zinc/77/41/83/811774183.db2.gz WWZCYXTUMKRGPN-CQSZACIVSA-N 2 2 294.399 0.912 20 0 CCADLP CCOCCC[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001267774536 811774186 /nfs/dbraw/zinc/77/41/86/811774186.db2.gz WWZCYXTUMKRGPN-CQSZACIVSA-N 2 2 294.399 0.912 20 0 CCADLP CC[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]CCO ZINC001267822305 811817014 /nfs/dbraw/zinc/81/70/14/811817014.db2.gz MHSXNVRPIZHMTH-QWRGUYRKSA-N 2 2 268.361 0.065 20 0 CCADLP CC[C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]CCO ZINC001267822305 811817023 /nfs/dbraw/zinc/81/70/23/811817023.db2.gz MHSXNVRPIZHMTH-QWRGUYRKSA-N 2 2 268.361 0.065 20 0 CCADLP CC[C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+]CCOC ZINC001267825401 811819270 /nfs/dbraw/zinc/81/92/70/811819270.db2.gz OPUKJMFSXIHXTQ-NSHDSACASA-N 2 2 268.361 0.391 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCO ZINC001028147276 812314530 /nfs/dbraw/zinc/31/45/30/812314530.db2.gz SSROFIGPOFQVTR-JHJVBQTASA-N 2 2 292.383 0.097 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCO ZINC001028147276 812314533 /nfs/dbraw/zinc/31/45/33/812314533.db2.gz SSROFIGPOFQVTR-JHJVBQTASA-N 2 2 292.383 0.097 20 0 CCADLP COC(=O)[C@@H](CCC[NH3+])Nc1c[nH+]c2c(c1)CCCN2 ZINC001167900512 812476634 /nfs/dbraw/zinc/47/66/34/812476634.db2.gz BIKRTDZESRITDH-GFCCVEGCSA-N 2 2 278.356 0.420 20 0 CCADLP CC[NH2+]C[C@@H](O)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001268317100 812481078 /nfs/dbraw/zinc/48/10/78/812481078.db2.gz KZJQXCJTXWGUMB-GFCCVEGCSA-N 2 2 265.357 0.707 20 0 CCADLP C[C@@H](O)C[NH2+]CC[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001268386772 812535330 /nfs/dbraw/zinc/53/53/30/812535330.db2.gz PSZSWDOPEOGSLM-NWDGAFQWSA-N 2 2 290.367 0.813 20 0 CCADLP C[C@H](CC[NH2+]C[C@H](C)O)NC(=O)c1cccc2[nH+]ccn21 ZINC001268386770 812536128 /nfs/dbraw/zinc/53/61/28/812536128.db2.gz PSZSWDOPEOGSLM-NEPJUHHUSA-N 2 2 290.367 0.813 20 0 CCADLP C[C@@H](O)CCC[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001268432689 812565299 /nfs/dbraw/zinc/56/52/99/812565299.db2.gz HTWXDDMUWJHDLQ-DGCLKSJQSA-N 2 2 269.389 0.042 20 0 CCADLP C[C@@H](O)CCC[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001268432689 812565303 /nfs/dbraw/zinc/56/53/03/812565303.db2.gz HTWXDDMUWJHDLQ-DGCLKSJQSA-N 2 2 269.389 0.042 20 0 CCADLP CC[C@@H](C(=O)NC1C[NH+](C[C@@H](C)OC)C1)[NH+](C)C ZINC001268453921 812594144 /nfs/dbraw/zinc/59/41/44/812594144.db2.gz LWLFFICDLHIUNN-PWSUYJOCSA-N 2 2 257.378 0.162 20 0 CCADLP Cc1nc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CC[N@@H+](C)C2)co1 ZINC001268627772 812952759 /nfs/dbraw/zinc/95/27/59/812952759.db2.gz XGXWUPLMMLKLQD-DHCBQETCSA-N 2 2 292.383 0.697 20 0 CCADLP Cc1nc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CC[N@H+](C)C2)co1 ZINC001268627772 812952761 /nfs/dbraw/zinc/95/27/61/812952761.db2.gz XGXWUPLMMLKLQD-DHCBQETCSA-N 2 2 292.383 0.697 20 0 CCADLP CCOCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001268653445 812982696 /nfs/dbraw/zinc/98/26/96/812982696.db2.gz TYVZIKVBLWBBAZ-CHWSQXEVSA-N 2 2 294.399 0.576 20 0 CCADLP C[C@H](C[NH2+]CCC[C@H]1CCOC1)NC(=O)Cn1cc[nH+]c1 ZINC001268676492 812997738 /nfs/dbraw/zinc/99/77/38/812997738.db2.gz RSGGXLLAUZWLOQ-KGLIPLIRSA-N 2 2 294.399 0.794 20 0 CCADLP CCOCC[N@H+](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001268748843 813060364 /nfs/dbraw/zinc/06/03/64/813060364.db2.gz MCMJNWGLKPFWCG-LLVKDONJSA-N 2 2 268.361 0.425 20 0 CCADLP CCOCC[N@@H+](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001268748843 813060374 /nfs/dbraw/zinc/06/03/74/813060374.db2.gz MCMJNWGLKPFWCG-LLVKDONJSA-N 2 2 268.361 0.425 20 0 CCADLP CN(CCC[NH2+]Cc1ccccn1)C(=O)Cn1cc[nH+]c1 ZINC001268964323 813160558 /nfs/dbraw/zinc/16/05/58/813160558.db2.gz NMYHCAFEPNMVOE-UHFFFAOYSA-N 2 2 287.367 0.916 20 0 CCADLP C[C@H](O)CCC[NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001269522554 813402653 /nfs/dbraw/zinc/40/26/53/813402653.db2.gz PLCNTTKIHYNFKR-LBPRGKRZSA-N 2 2 294.399 0.362 20 0 CCADLP CCOCCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001269763596 813497353 /nfs/dbraw/zinc/49/73/53/813497353.db2.gz BKDPPFBFICHFJD-CQSZACIVSA-N 2 2 283.416 0.650 20 0 CCADLP CCOCCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001269763596 813497355 /nfs/dbraw/zinc/49/73/55/813497355.db2.gz BKDPPFBFICHFJD-CQSZACIVSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@@H](O)C[NH2+]CC[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001269771020 813502963 /nfs/dbraw/zinc/50/29/63/813502963.db2.gz VPXDHOKQPOSMRA-OLZOCXBDSA-N 2 2 294.399 0.551 20 0 CCADLP O=C(NC[C@H]1CC[N@@H+](CCO)C1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001028796977 813521857 /nfs/dbraw/zinc/52/18/57/813521857.db2.gz KADCGZSMNHAEFW-NEPJUHHUSA-N 2 2 292.383 0.260 20 0 CCADLP O=C(NC[C@H]1CC[N@H+](CCO)C1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001028796977 813521862 /nfs/dbraw/zinc/52/18/62/813521862.db2.gz KADCGZSMNHAEFW-NEPJUHHUSA-N 2 2 292.383 0.260 20 0 CCADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(=O)Cn1cc[nH+]c1 ZINC001269841989 813527118 /nfs/dbraw/zinc/52/71/18/813527118.db2.gz GRIJSKDGTCVFEA-KBPBESRZSA-N 2 2 291.399 0.120 20 0 CCADLP Cn1nccc1CC[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126436660 813582375 /nfs/dbraw/zinc/58/23/75/813582375.db2.gz GMOSEXMMVAGAAK-UHFFFAOYSA-N 2 2 290.371 0.024 20 0 CCADLP Cc1nnsc1C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126436474 813582907 /nfs/dbraw/zinc/58/29/07/813582907.db2.gz BHRIJYIIQONQNQ-UHFFFAOYSA-N 2 2 294.384 0.408 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]CCC[C@H]1CCOC1 ZINC001126442502 813598089 /nfs/dbraw/zinc/59/80/89/813598089.db2.gz OLILLYBYNZBIFL-ZDUSSCGKSA-N 2 2 294.399 0.865 20 0 CCADLP C[NH+](C)CCN1CCC12CN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001270463320 813772286 /nfs/dbraw/zinc/77/22/86/813772286.db2.gz SHVVZXHHXULWMH-UHFFFAOYSA-N 2 2 291.399 0.191 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]CC1CC1 ZINC001270568361 813816546 /nfs/dbraw/zinc/81/65/46/813816546.db2.gz MXFPRZCOPJXGDD-LLVKDONJSA-N 2 2 264.373 0.715 20 0 CCADLP COCCCC[N@@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001270666049 813881874 /nfs/dbraw/zinc/88/18/74/813881874.db2.gz ULBWXYYAWFLPQC-HNNXBMFYSA-N 2 2 294.399 0.890 20 0 CCADLP COCCCC[N@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001270666049 813881883 /nfs/dbraw/zinc/88/18/83/813881883.db2.gz ULBWXYYAWFLPQC-HNNXBMFYSA-N 2 2 294.399 0.890 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCn1cccn1 ZINC001038102904 814086358 /nfs/dbraw/zinc/08/63/58/814086358.db2.gz FVIKOJFSUSYMHW-KBPBESRZSA-N 2 2 291.399 0.168 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCn1cccn1 ZINC001038102904 814086363 /nfs/dbraw/zinc/08/63/63/814086363.db2.gz FVIKOJFSUSYMHW-KBPBESRZSA-N 2 2 291.399 0.168 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCn1cccn1 ZINC001038102904 814086366 /nfs/dbraw/zinc/08/63/66/814086366.db2.gz FVIKOJFSUSYMHW-KBPBESRZSA-N 2 2 291.399 0.168 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCn1cccn1 ZINC001038102904 814086373 /nfs/dbraw/zinc/08/63/73/814086373.db2.gz FVIKOJFSUSYMHW-KBPBESRZSA-N 2 2 291.399 0.168 20 0 CCADLP C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001204764368 814168937 /nfs/dbraw/zinc/16/89/37/814168937.db2.gz XXXNBNAORSRMQG-ZUZCIYMTSA-N 2 2 277.368 0.529 20 0 CCADLP C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001204764368 814168940 /nfs/dbraw/zinc/16/89/40/814168940.db2.gz XXXNBNAORSRMQG-ZUZCIYMTSA-N 2 2 277.368 0.529 20 0 CCADLP COCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001203441629 814175992 /nfs/dbraw/zinc/17/59/92/814175992.db2.gz CNMDEUJVFGQYNC-QWHCGFSZSA-N 2 2 292.383 0.616 20 0 CCADLP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCF)C1 ZINC001029552870 814418424 /nfs/dbraw/zinc/41/84/24/814418424.db2.gz GEXKTHDHNDHIAW-MCIONIFRSA-N 2 2 283.391 0.973 20 0 CCADLP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3CCF)C1 ZINC001029552870 814418432 /nfs/dbraw/zinc/41/84/32/814418432.db2.gz GEXKTHDHNDHIAW-MCIONIFRSA-N 2 2 283.391 0.973 20 0 CCADLP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCF)C1 ZINC001029552870 814418435 /nfs/dbraw/zinc/41/84/35/814418435.db2.gz GEXKTHDHNDHIAW-MCIONIFRSA-N 2 2 283.391 0.973 20 0 CCADLP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCF)C1 ZINC001029552870 814418441 /nfs/dbraw/zinc/41/84/41/814418441.db2.gz GEXKTHDHNDHIAW-MCIONIFRSA-N 2 2 283.391 0.973 20 0 CCADLP O=C(N1C[C@H]2CC[C@@H](C1)[N@H+]2CCF)C12CC[NH+](CC1)C2 ZINC001029554613 814420259 /nfs/dbraw/zinc/42/02/59/814420259.db2.gz IUOAOZCUSGMCFB-BETUJISGSA-N 2 2 281.375 0.727 20 0 CCADLP O=C(N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCF)C12CC[NH+](CC1)C2 ZINC001029554613 814420263 /nfs/dbraw/zinc/42/02/63/814420263.db2.gz IUOAOZCUSGMCFB-BETUJISGSA-N 2 2 281.375 0.727 20 0 CCADLP CC[N@H+]1CCN(CC[NH+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001168208903 814908201 /nfs/dbraw/zinc/90/82/01/814908201.db2.gz XEVOKQKLWMOICF-KBPBESRZSA-N 2 2 255.406 0.733 20 0 CCADLP CC[NH+]1CCN(CC[N@@H+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001168208903 814908208 /nfs/dbraw/zinc/90/82/08/814908208.db2.gz XEVOKQKLWMOICF-KBPBESRZSA-N 2 2 255.406 0.733 20 0 CCADLP CC[NH+]1CCN(CC[N@H+]2CCOC[C@@H]2C)C[C@@H]1C ZINC001168208903 814908215 /nfs/dbraw/zinc/90/82/15/814908215.db2.gz XEVOKQKLWMOICF-KBPBESRZSA-N 2 2 255.406 0.733 20 0 CCADLP CO[C@@H](C[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1)C1CCC1 ZINC001030161830 815852592 /nfs/dbraw/zinc/85/25/92/815852592.db2.gz QQCHBXDYSVHCHR-GJZGRUSLSA-N 2 2 295.427 0.696 20 0 CCADLP CO[C@@H](C[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1)C1CCC1 ZINC001030161830 815852600 /nfs/dbraw/zinc/85/26/00/815852600.db2.gz QQCHBXDYSVHCHR-GJZGRUSLSA-N 2 2 295.427 0.696 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)NC2C[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001030181845 815874902 /nfs/dbraw/zinc/87/49/02/815874902.db2.gz HMWVUHALUGVGBO-AWEZNQCLSA-N 2 2 295.427 0.554 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)NC2C[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001030181845 815874906 /nfs/dbraw/zinc/87/49/06/815874906.db2.gz HMWVUHALUGVGBO-AWEZNQCLSA-N 2 2 295.427 0.554 20 0 CCADLP C[C@@H](O)C[NH+]1CC(NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001030513663 816078464 /nfs/dbraw/zinc/07/84/64/816078464.db2.gz PVGCIRVNIHGWQO-GFCCVEGCSA-N 2 2 281.400 0.044 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CC[C@H]2CCCO2)C1 ZINC001030532467 816090746 /nfs/dbraw/zinc/09/07/46/816090746.db2.gz QBPZTIUTHFGZJS-CABCVRRESA-N 2 2 295.427 0.840 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001030534735 816092863 /nfs/dbraw/zinc/09/28/63/816092863.db2.gz HFSNRURFJXKHEO-LBPRGKRZSA-N 2 2 257.353 0.631 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CCCF)C1 ZINC001030534735 816092867 /nfs/dbraw/zinc/09/28/67/816092867.db2.gz HFSNRURFJXKHEO-LBPRGKRZSA-N 2 2 257.353 0.631 20 0 CCADLP CC[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001030594787 816132612 /nfs/dbraw/zinc/13/26/12/816132612.db2.gz PULQWHXUQAGGRQ-ZDUSSCGKSA-N 2 2 253.390 0.927 20 0 CCADLP CC[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001030594787 816132616 /nfs/dbraw/zinc/13/26/16/816132616.db2.gz PULQWHXUQAGGRQ-ZDUSSCGKSA-N 2 2 253.390 0.927 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001088981939 816200881 /nfs/dbraw/zinc/20/08/81/816200881.db2.gz VHMZNWLZNHGUIC-PWSUYJOCSA-N 2 2 250.346 0.562 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC001088981939 816200891 /nfs/dbraw/zinc/20/08/91/816200891.db2.gz VHMZNWLZNHGUIC-PWSUYJOCSA-N 2 2 250.346 0.562 20 0 CCADLP COCCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001272308368 816293932 /nfs/dbraw/zinc/29/39/32/816293932.db2.gz AGVWPYWLZQQKLP-OCCSQVGLSA-N 2 2 294.399 0.863 20 0 CCADLP C[NH+](C)C1(C(=O)N2CCC[C@]3(C2)C[N@H+](C)CCO3)CC1 ZINC001272307750 816294133 /nfs/dbraw/zinc/29/41/33/816294133.db2.gz BXXHTOILUOTTJO-CQSZACIVSA-N 2 2 281.400 0.404 20 0 CCADLP C[NH+](C)C1(C(=O)N2CCC[C@]3(C2)C[N@@H+](C)CCO3)CC1 ZINC001272307750 816294139 /nfs/dbraw/zinc/29/41/39/816294139.db2.gz BXXHTOILUOTTJO-CQSZACIVSA-N 2 2 281.400 0.404 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCF ZINC001272323414 816312416 /nfs/dbraw/zinc/31/24/16/816312416.db2.gz PVQRHZNRHYCIKU-DGCLKSJQSA-N 2 2 282.363 0.807 20 0 CCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)C[C@H]([NH3+])C(F)F ZINC001121923654 816481497 /nfs/dbraw/zinc/48/14/97/816481497.db2.gz PXWINSZWKUEJEJ-UWVGGRQHSA-N 2 2 263.332 0.960 20 0 CCADLP CO[C@@H]1C[N@H+](CC(C)C)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212198369 816585222 /nfs/dbraw/zinc/58/52/22/816585222.db2.gz BSXIGGVKLAVANA-CHWSQXEVSA-N 2 2 294.399 0.814 20 0 CCADLP CO[C@@H]1C[N@@H+](CC(C)C)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212198369 816585228 /nfs/dbraw/zinc/58/52/28/816585228.db2.gz BSXIGGVKLAVANA-CHWSQXEVSA-N 2 2 294.399 0.814 20 0 CCADLP CCCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](OC)C1 ZINC001212198808 816630950 /nfs/dbraw/zinc/63/09/50/816630950.db2.gz MYTPAKZFIMNHNT-CHWSQXEVSA-N 2 2 294.399 0.958 20 0 CCADLP CCCC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](OC)C1 ZINC001212198808 816630953 /nfs/dbraw/zinc/63/09/53/816630953.db2.gz MYTPAKZFIMNHNT-CHWSQXEVSA-N 2 2 294.399 0.958 20 0 CCADLP CC[NH+]1CC(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001031257200 816907939 /nfs/dbraw/zinc/90/79/39/816907939.db2.gz MBLGZSZHOKSVIF-DGCLKSJQSA-N 2 2 253.390 0.927 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC1C[NH+](C[C@H]2CCCOC2)C1 ZINC001031259793 816910139 /nfs/dbraw/zinc/91/01/39/816910139.db2.gz CGXAZVKDHXRRRM-GFCCVEGCSA-N 2 2 292.383 0.190 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+](CCC3CC3)C2)C1 ZINC001031414402 817039527 /nfs/dbraw/zinc/03/95/27/817039527.db2.gz IRFRWTWJBDARCO-CQSZACIVSA-N 2 2 281.400 0.308 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NC2C[NH+](CCC3CC3)C2)C1 ZINC001031414402 817039535 /nfs/dbraw/zinc/03/95/35/817039535.db2.gz IRFRWTWJBDARCO-CQSZACIVSA-N 2 2 281.400 0.308 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC1C[NH+](CC2CCOCC2)C1 ZINC001031477261 817071860 /nfs/dbraw/zinc/07/18/60/817071860.db2.gz WMQRGKQAHLSRKT-UHFFFAOYSA-N 2 2 278.356 0.110 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C[C@@H]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1[NH3+] ZINC001236340902 817269075 /nfs/dbraw/zinc/26/90/75/817269075.db2.gz KDCGBXQAFFQLKH-NZEXEKPDSA-N 2 2 270.373 0.622 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C[C@@H]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1[NH3+] ZINC001236340902 817269080 /nfs/dbraw/zinc/26/90/80/817269080.db2.gz KDCGBXQAFFQLKH-NZEXEKPDSA-N 2 2 270.373 0.622 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2nonc2C)CC[N@@H+]1C ZINC001127689881 817458895 /nfs/dbraw/zinc/45/88/95/817458895.db2.gz AGTBDYFWBNOXPM-WCQYABFASA-N 2 2 295.387 0.314 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2nonc2C)CC[N@H+]1C ZINC001127689881 817458899 /nfs/dbraw/zinc/45/88/99/817458899.db2.gz AGTBDYFWBNOXPM-WCQYABFASA-N 2 2 295.387 0.314 20 0 CCADLP C[C@H](O)C[NH+]1CC(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001031968166 817505416 /nfs/dbraw/zinc/50/54/16/817505416.db2.gz PLFJPVNHXWSRDA-CMPLNLGQSA-N 2 2 292.383 0.258 20 0 CCADLP Cc1nc(NC/C=C\CNC(=O)[C@@H]2CCC[N@H+]2C)cc[nH+]1 ZINC001107116778 817767540 /nfs/dbraw/zinc/76/75/40/817767540.db2.gz MTUHYCSMIGJWPW-SCOBNMCVSA-N 2 2 289.383 0.964 20 0 CCADLP Cc1nc(NC/C=C\CNC(=O)[C@@H]2CCC[N@@H+]2C)cc[nH+]1 ZINC001107116778 817767548 /nfs/dbraw/zinc/76/75/48/817767548.db2.gz MTUHYCSMIGJWPW-SCOBNMCVSA-N 2 2 289.383 0.964 20 0 CCADLP CC(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001032332371 817890354 /nfs/dbraw/zinc/89/03/54/817890354.db2.gz TZBQEGQLAJUNLZ-KKUMJFAQSA-N 2 2 295.427 0.648 20 0 CCADLP CC(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001032332371 817890358 /nfs/dbraw/zinc/89/03/58/817890358.db2.gz TZBQEGQLAJUNLZ-KKUMJFAQSA-N 2 2 295.427 0.648 20 0 CCADLP CC(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001032332371 817890362 /nfs/dbraw/zinc/89/03/62/817890362.db2.gz TZBQEGQLAJUNLZ-KKUMJFAQSA-N 2 2 295.427 0.648 20 0 CCADLP CC(C)CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001032332371 817890366 /nfs/dbraw/zinc/89/03/66/817890366.db2.gz TZBQEGQLAJUNLZ-KKUMJFAQSA-N 2 2 295.427 0.648 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1C[C@@H]([NH2+]CCF)C12CCC2 ZINC001078735921 818038448 /nfs/dbraw/zinc/03/84/48/818038448.db2.gz AQZCFKFNZCMYAG-VXGBXAGGSA-N 2 2 280.347 0.939 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ncc(N)cc2F)CC1 ZINC001168736006 818540094 /nfs/dbraw/zinc/54/00/94/818540094.db2.gz XLRMSLGFXWWKAK-UHFFFAOYSA-N 2 2 252.297 0.397 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2nccc(-c3cnccn3)n2)CC1 ZINC001168735861 818540145 /nfs/dbraw/zinc/54/01/45/818540145.db2.gz HDMYPEMBDYVJHR-UHFFFAOYSA-N 2 2 298.354 0.528 20 0 CCADLP CC(C)Oc1ncc(NC(=[NH2+])N2CC[NH+](C)CC2)cn1 ZINC001168746219 818626873 /nfs/dbraw/zinc/62/68/73/818626873.db2.gz FSZYZHASGTWCJB-UHFFFAOYSA-N 2 2 278.360 0.858 20 0 CCADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001033704510 818892368 /nfs/dbraw/zinc/89/23/68/818892368.db2.gz VYUBXJVLDCRYCN-ZDUSSCGKSA-N 2 2 262.357 0.826 20 0 CCADLP CN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001033704510 818892372 /nfs/dbraw/zinc/89/23/72/818892372.db2.gz VYUBXJVLDCRYCN-ZDUSSCGKSA-N 2 2 262.357 0.826 20 0 CCADLP C[NH+](C)C[C@H](N)C(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000702390002 819115588 /nfs/dbraw/zinc/11/55/88/819115588.db2.gz GHODQLNSBLFACN-RYUDHWBXSA-N 2 2 281.404 0.303 20 0 CCADLP COCC[N@@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547458 819240228 /nfs/dbraw/zinc/24/02/28/819240228.db2.gz QUGQYILKMAFQEM-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP COCC[N@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034547458 819240231 /nfs/dbraw/zinc/24/02/31/819240231.db2.gz QUGQYILKMAFQEM-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(N)nn3)CC[C@@H]21 ZINC000703949314 819340174 /nfs/dbraw/zinc/34/01/74/819340174.db2.gz GDGSHLBFPSTXMT-AAEUAGOBSA-N 2 2 261.373 0.975 20 0 CCADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(N)nn3)CC[C@@H]21 ZINC000703949314 819340180 /nfs/dbraw/zinc/34/01/80/819340180.db2.gz GDGSHLBFPSTXMT-AAEUAGOBSA-N 2 2 261.373 0.975 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(N)nn3)CC[C@@H]21 ZINC000703949314 819340185 /nfs/dbraw/zinc/34/01/85/819340185.db2.gz GDGSHLBFPSTXMT-AAEUAGOBSA-N 2 2 261.373 0.975 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(N)nn3)CC[C@@H]21 ZINC000703949314 819340191 /nfs/dbraw/zinc/34/01/91/819340191.db2.gz GDGSHLBFPSTXMT-AAEUAGOBSA-N 2 2 261.373 0.975 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNc2ccc3c(n2)C[NH2+]CC3)C1 ZINC001162683444 819391747 /nfs/dbraw/zinc/39/17/47/819391747.db2.gz TZDVNHFVFANULB-LBPRGKRZSA-N 2 2 262.357 0.470 20 0 CCADLP C[N@H+]1CCO[C@@H](CNc2ccc3c(n2)C[NH2+]CC3)C1 ZINC001162683444 819391754 /nfs/dbraw/zinc/39/17/54/819391754.db2.gz TZDVNHFVFANULB-LBPRGKRZSA-N 2 2 262.357 0.470 20 0 CCADLP CCOC[C@H](O)C[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705666568 819547494 /nfs/dbraw/zinc/54/74/94/819547494.db2.gz HOIRDKYYFSPVAS-RDBSUJKOSA-N 2 2 256.390 0.657 20 0 CCADLP CCOC[C@H](O)C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705666551 819548581 /nfs/dbraw/zinc/54/85/81/819548581.db2.gz HOIRDKYYFSPVAS-MCIONIFRSA-N 2 2 256.390 0.657 20 0 CCADLP CCOC[C@H](O)C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705666551 819548587 /nfs/dbraw/zinc/54/85/87/819548587.db2.gz HOIRDKYYFSPVAS-MCIONIFRSA-N 2 2 256.390 0.657 20 0 CCADLP CCOC[C@H](O)C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000705666551 819548590 /nfs/dbraw/zinc/54/85/90/819548590.db2.gz HOIRDKYYFSPVAS-MCIONIFRSA-N 2 2 256.390 0.657 20 0 CCADLP CCOC[C@H](O)C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000705666551 819548595 /nfs/dbraw/zinc/54/85/95/819548595.db2.gz HOIRDKYYFSPVAS-MCIONIFRSA-N 2 2 256.390 0.657 20 0 CCADLP Cn1nc(C[N@H+](C)CCN2CC[NH2+]CC2)cc1Cl ZINC000706700575 819666995 /nfs/dbraw/zinc/66/69/95/819666995.db2.gz RMZWNOVPGTYWBR-UHFFFAOYSA-N 2 2 271.796 0.411 20 0 CCADLP Cn1nc(C[N@@H+](C)CCN2CC[NH2+]CC2)cc1Cl ZINC000706700575 819667010 /nfs/dbraw/zinc/66/70/10/819667010.db2.gz RMZWNOVPGTYWBR-UHFFFAOYSA-N 2 2 271.796 0.411 20 0 CCADLP C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1[NH2+]CCO ZINC001036134543 819694679 /nfs/dbraw/zinc/69/46/79/819694679.db2.gz WZZQGYQJWHMWMJ-QWHCGFSZSA-N 2 2 280.372 0.092 20 0 CCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1[NH2+]CCO ZINC001036134541 819695258 /nfs/dbraw/zinc/69/52/58/819695258.db2.gz WZZQGYQJWHMWMJ-CHWSQXEVSA-N 2 2 280.372 0.092 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1[NH2+]CCF ZINC001036239541 819712245 /nfs/dbraw/zinc/71/22/45/819712245.db2.gz LPUOKHWJBPEDDC-MNOVXSKESA-N 2 2 268.336 0.748 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000709828115 819812693 /nfs/dbraw/zinc/81/26/93/819812693.db2.gz SLJLPXSNUWXBCD-GXTWGEPZSA-N 2 2 267.373 0.418 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000709828115 819812700 /nfs/dbraw/zinc/81/27/00/819812700.db2.gz SLJLPXSNUWXBCD-GXTWGEPZSA-N 2 2 267.373 0.418 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710570220 819826210 /nfs/dbraw/zinc/82/62/10/819826210.db2.gz CFEJSGHQOJGEPL-CQSZACIVSA-N 3 2 287.448 0.076 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710570220 819826219 /nfs/dbraw/zinc/82/62/19/819826219.db2.gz CFEJSGHQOJGEPL-CQSZACIVSA-N 3 2 287.448 0.076 20 0 CCADLP C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000711676257 820070265 /nfs/dbraw/zinc/07/02/65/820070265.db2.gz SVVQJMXYSOUOLJ-NDBYEHHHSA-N 2 2 272.414 0.636 20 0 CCADLP C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000711676257 820070272 /nfs/dbraw/zinc/07/02/72/820070272.db2.gz SVVQJMXYSOUOLJ-NDBYEHHHSA-N 2 2 272.414 0.636 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1[NH2+]CCF ZINC001082601311 821005120 /nfs/dbraw/zinc/00/51/20/821005120.db2.gz VIISWDAOWPRCHH-YRGRVCCFSA-N 2 2 294.374 0.852 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1[NH2+]CCF ZINC001082751617 821030230 /nfs/dbraw/zinc/03/02/30/821030230.db2.gz PYPYLVGKXDIEKQ-FDYHWXHSSA-N 2 2 294.374 0.930 20 0 CCADLP Cc1[nH+]cc2n1CCN(c1ncnc3c1C[NH2+]C3)C2 ZINC001165384890 821057671 /nfs/dbraw/zinc/05/76/71/821057671.db2.gz JCYBBYQGGZMZFE-UHFFFAOYSA-N 2 2 256.313 0.605 20 0 CCADLP CC(C)=CC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084114765 821194190 /nfs/dbraw/zinc/19/41/90/821194190.db2.gz DDPQGCMLMZXTFI-OLZOCXBDSA-N 2 2 278.356 0.011 20 0 CCADLP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084114765 821194193 /nfs/dbraw/zinc/19/41/93/821194193.db2.gz DDPQGCMLMZXTFI-OLZOCXBDSA-N 2 2 278.356 0.011 20 0 CCADLP CCN(C(=O)NCCc1cn(C)c[nH+]1)[C@H]1CC[NH2+]C1 ZINC001119476970 821334813 /nfs/dbraw/zinc/33/48/13/821334813.db2.gz MVFVVPPPHAPGCV-LBPRGKRZSA-N 2 2 265.361 0.356 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[N@@H+](C[C@@H](C)O)C[C@H]21 ZINC001084799220 821393931 /nfs/dbraw/zinc/39/39/31/821393931.db2.gz XRRMOCXQHZBTSM-MPKXVKKWSA-N 2 2 292.383 0.174 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[N@H+](C[C@@H](C)O)C[C@H]21 ZINC001084799220 821393941 /nfs/dbraw/zinc/39/39/41/821393941.db2.gz XRRMOCXQHZBTSM-MPKXVKKWSA-N 2 2 292.383 0.174 20 0 CCADLP CC(C)=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001085531280 821771513 /nfs/dbraw/zinc/77/15/13/821771513.db2.gz PJTKVIHQNQORHM-CABCVRRESA-N 2 2 295.427 0.816 20 0 CCADLP CC(C)=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001085531280 821771518 /nfs/dbraw/zinc/77/15/18/821771518.db2.gz PJTKVIHQNQORHM-CABCVRRESA-N 2 2 295.427 0.816 20 0 CCADLP CC(C)=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001085531280 821771523 /nfs/dbraw/zinc/77/15/23/821771523.db2.gz PJTKVIHQNQORHM-CABCVRRESA-N 2 2 295.427 0.816 20 0 CCADLP CC(C)=CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001085531280 821771528 /nfs/dbraw/zinc/77/15/28/821771528.db2.gz PJTKVIHQNQORHM-CABCVRRESA-N 2 2 295.427 0.816 20 0 CCADLP CCc1nc(C[NH2+]CCCNC(=O)[C@@H]2CCC[N@@H+]2C)no1 ZINC001155791069 822250020 /nfs/dbraw/zinc/25/00/20/822250020.db2.gz RRZNTADRNNYBEM-NSHDSACASA-N 2 2 295.387 0.322 20 0 CCADLP CCc1nc(C[NH2+]CCCNC(=O)[C@@H]2CCC[N@H+]2C)no1 ZINC001155791069 822250027 /nfs/dbraw/zinc/25/00/27/822250027.db2.gz RRZNTADRNNYBEM-NSHDSACASA-N 2 2 295.387 0.322 20 0 CCADLP C[NH+](C)[C@H](C(=O)NCC[NH2+]Cc1ncccn1)C1CC1 ZINC001129436779 837510592 /nfs/dbraw/zinc/51/05/92/837510592.db2.gz SKGXBMBSUFCDEG-ZDUSSCGKSA-N 2 2 277.372 0.023 20 0 CCADLP C[N@H+](CC(=O)NCC[NH2+]Cc1csnn1)C1CCC1 ZINC001129527028 837520739 /nfs/dbraw/zinc/52/07/39/837520739.db2.gz XTHRRMCOZXQGJM-UHFFFAOYSA-N 2 2 283.401 0.228 20 0 CCADLP C[N@@H+](CC(=O)NCC[NH2+]Cc1csnn1)C1CCC1 ZINC001129527028 837520749 /nfs/dbraw/zinc/52/07/49/837520749.db2.gz XTHRRMCOZXQGJM-UHFFFAOYSA-N 2 2 283.401 0.228 20 0 CCADLP COCCCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129893407 837582844 /nfs/dbraw/zinc/58/28/44/837582844.db2.gz QEUNYLISPBSZPP-VXGBXAGGSA-N 2 2 280.372 0.646 20 0 CCADLP COCCCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129893407 837582851 /nfs/dbraw/zinc/58/28/51/837582851.db2.gz QEUNYLISPBSZPP-VXGBXAGGSA-N 2 2 280.372 0.646 20 0 CCADLP CC(C)C[C@@H](C(=O)NCC[NH2+]C[C@@H](C)O)n1cc[nH+]c1 ZINC001130001266 837605742 /nfs/dbraw/zinc/60/57/42/837605742.db2.gz JAZHZPCVIFLWKQ-OLZOCXBDSA-N 2 2 282.388 0.557 20 0 CCADLP COCCC[NH2+]CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001130164751 837712487 /nfs/dbraw/zinc/71/24/87/837712487.db2.gz FJNFXMAURBJEPF-UHFFFAOYSA-N 2 2 282.388 0.669 20 0 CCADLP Cc1cc(C[NH2+]CCNC(=O)[C@H]2CCCC[N@H+]2C)no1 ZINC001130296893 837750580 /nfs/dbraw/zinc/75/05/80/837750580.db2.gz DPHULDAKVWZSCE-CYBMUJFWSA-N 2 2 280.372 0.673 20 0 CCADLP Cc1cc(C[NH2+]CCNC(=O)[C@H]2CCCC[N@@H+]2C)no1 ZINC001130296893 837750585 /nfs/dbraw/zinc/75/05/85/837750585.db2.gz DPHULDAKVWZSCE-CYBMUJFWSA-N 2 2 280.372 0.673 20 0 CCADLP C[C@H](O)CCC[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130484535 837809319 /nfs/dbraw/zinc/80/93/19/837809319.db2.gz PNQWELWYTIBMEU-QWHCGFSZSA-N 2 2 294.399 0.312 20 0 CCADLP O=C(NCC[NH2+]CCCF)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130487966 837811019 /nfs/dbraw/zinc/81/10/19/837811019.db2.gz LXELCZFLMUHWNS-LLVKDONJSA-N 2 2 268.336 0.511 20 0 CCADLP Cc1c[nH]c(CCNC(=O)[C@H]2C[C@@H]([NH+](C)C)C2)[nH+]1 ZINC001183376157 844018314 /nfs/dbraw/zinc/01/83/14/844018314.db2.gz REKNXSWRBGYTHH-PHIMTYICSA-N 2 2 250.346 0.717 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N2CC[C@@H]([NH2+]CCCO)C2)c[nH+]1 ZINC001183581265 844045622 /nfs/dbraw/zinc/04/56/22/844045622.db2.gz HEJFLGZOKYNXRV-CYBMUJFWSA-N 2 2 294.399 0.500 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001183765632 844085514 /nfs/dbraw/zinc/08/55/14/844085514.db2.gz XYOOVABNJHDCSM-QWHCGFSZSA-N 2 2 292.383 0.282 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001183744895 844089359 /nfs/dbraw/zinc/08/93/59/844089359.db2.gz GMWCUWZZAYLACZ-LLVKDONJSA-N 2 2 262.357 0.658 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001183744895 844089370 /nfs/dbraw/zinc/08/93/70/844089370.db2.gz GMWCUWZZAYLACZ-LLVKDONJSA-N 2 2 262.357 0.658 20 0 CCADLP O=C(CCC[NH+]1CCCCC1)NCC[NH2+]Cc1cnon1 ZINC001151361471 844098756 /nfs/dbraw/zinc/09/87/56/844098756.db2.gz HWXMDXPVFOLXHN-UHFFFAOYSA-N 2 2 295.387 0.542 20 0 CCADLP N=c1ncc(C[NH3+])cn1C(=O)CCc1ccc(N)[nH+]c1 ZINC001183940360 844116254 /nfs/dbraw/zinc/11/62/54/844116254.db2.gz YVFRFQOCVUCQCH-UHFFFAOYSA-N 2 2 272.312 0.071 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nncc2cc(F)ccc21 ZINC001169070870 836124046 /nfs/dbraw/zinc/12/40/46/836124046.db2.gz FAROANZEKWRFFF-LLVKDONJSA-N 2 2 287.298 0.817 20 0 CCADLP COC(=O)c1ccc(N)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1 ZINC001169071448 836125459 /nfs/dbraw/zinc/12/54/59/836125459.db2.gz DWPHUMBGHLXJGA-SNVBAGLBSA-N 2 2 290.323 0.103 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cnc2ccoc2c1 ZINC001169073217 836126781 /nfs/dbraw/zinc/12/67/81/836126781.db2.gz CWSFIEUFXHCVEW-SECBINFHSA-N 2 2 258.281 0.876 20 0 CCADLP Cc1[nH+]ccc(-n2cncc2C[C@@H]([NH3+])CO)c1F ZINC001169074315 836126791 /nfs/dbraw/zinc/12/67/91/836126791.db2.gz JLPMCOARBCELCT-SECBINFHSA-N 2 2 250.277 0.577 20 0 CCADLP COC(=O)c1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ccc1C ZINC001169073988 836126911 /nfs/dbraw/zinc/12/69/11/836126911.db2.gz OYSNTOJJULQDQI-LLVKDONJSA-N 2 2 289.335 0.829 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2cc[nH]c2n1 ZINC001169075478 836128185 /nfs/dbraw/zinc/12/81/85/836128185.db2.gz ZILLAUJBRUCRDC-SNVBAGLBSA-N 2 2 257.297 0.611 20 0 CCADLP COC(=O)c1c(F)cncc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169075664 836129148 /nfs/dbraw/zinc/12/91/48/836129148.db2.gz UNQHZXFNTDEMAF-MRVPVSSYSA-N 2 2 294.286 0.055 20 0 CCADLP C[C@H](O)CCC[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169212965 836161919 /nfs/dbraw/zinc/16/19/19/836161919.db2.gz ZIXXKLYPMHYRDI-NSHDSACASA-N 2 2 268.361 0.209 20 0 CCADLP CCCC[C@H]([NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1)C(N)=O ZINC001169212533 836161999 /nfs/dbraw/zinc/16/19/99/836161999.db2.gz VAWMIJSQMIBTIN-NSHDSACASA-N 2 2 295.387 0.092 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO ZINC001109384616 836667749 /nfs/dbraw/zinc/66/77/49/836667749.db2.gz FKABVGWGANSSKU-RDBSUJKOSA-N 2 2 292.383 0.446 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO ZINC001109384616 836667759 /nfs/dbraw/zinc/66/77/59/836667759.db2.gz FKABVGWGANSSKU-RDBSUJKOSA-N 2 2 292.383 0.446 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO ZINC001109384616 836667766 /nfs/dbraw/zinc/66/77/66/836667766.db2.gz FKABVGWGANSSKU-RDBSUJKOSA-N 2 2 292.383 0.446 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO ZINC001109384616 836667773 /nfs/dbraw/zinc/66/77/73/836667773.db2.gz FKABVGWGANSSKU-RDBSUJKOSA-N 2 2 292.383 0.446 20 0 CCADLP Cc1nc(NCCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001109457692 836684617 /nfs/dbraw/zinc/68/46/17/836684617.db2.gz DYROCWREDWSPQT-ZDUSSCGKSA-N 2 2 291.399 0.997 20 0 CCADLP Cc1nc(NCCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001109457692 836684621 /nfs/dbraw/zinc/68/46/21/836684621.db2.gz DYROCWREDWSPQT-ZDUSSCGKSA-N 2 2 291.399 0.997 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)[C@H](O)C1 ZINC001090427211 836691419 /nfs/dbraw/zinc/69/14/19/836691419.db2.gz INFZHALGDBQWRA-DGCLKSJQSA-N 2 2 288.351 0.519 20 0 CCADLP CC[NH+](CC)C[C@H](F)C(=O)N1CC[NH+](CC)CC1 ZINC001112906957 836959760 /nfs/dbraw/zinc/95/97/60/836959760.db2.gz UPMNIWXMLLIRKA-LBPRGKRZSA-N 2 2 259.369 0.830 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001130713190 837900202 /nfs/dbraw/zinc/90/02/02/837900202.db2.gz GCXCXUWVCPSJDD-ZDUSSCGKSA-N 2 2 295.387 0.396 20 0 CCADLP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cnon1 ZINC001130713190 837900211 /nfs/dbraw/zinc/90/02/11/837900211.db2.gz GCXCXUWVCPSJDD-ZDUSSCGKSA-N 2 2 295.387 0.396 20 0 CCADLP CC[C@@H](C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1)OC ZINC001184710267 844275567 /nfs/dbraw/zinc/27/55/67/844275567.db2.gz YNQWSDLILFUMSF-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP CCOc1nccnc1N1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158269247 838014026 /nfs/dbraw/zinc/01/40/26/838014026.db2.gz OVEDGMJGKUPFCY-GFCCVEGCSA-N 2 2 291.399 0.877 20 0 CCADLP CCOc1nccnc1N1CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158269247 838014035 /nfs/dbraw/zinc/01/40/35/838014035.db2.gz OVEDGMJGKUPFCY-GFCCVEGCSA-N 2 2 291.399 0.877 20 0 CCADLP O=C(NCC[NH2+]CCCO)c1cccc2[nH+]ccn21 ZINC001131273995 838027690 /nfs/dbraw/zinc/02/76/90/838027690.db2.gz YVVHGNWFBKYKBR-UHFFFAOYSA-N 2 2 262.313 0.036 20 0 CCADLP Cn1cc(C[NH2+]CCNC(=O)c2cccc3[nH+]ccn32)cn1 ZINC001131270487 838031557 /nfs/dbraw/zinc/03/15/57/838031557.db2.gz LNCMNPUKSAGHNO-UHFFFAOYSA-N 2 2 298.350 0.587 20 0 CCADLP C[C@@H](Nc1[nH+]cnc2[nH]cc(F)c21)[C@@H]1C[NH2+]CCO1 ZINC001170558856 838077141 /nfs/dbraw/zinc/07/71/41/838077141.db2.gz RSNYIRFNJVQZLD-APPZFPTMSA-N 2 2 265.292 0.886 20 0 CCADLP COc1c[nH+]c(N[C@@H](C)[C@@H]2C[NH2+]CCO2)nc1NC1CC1 ZINC001170558364 838077537 /nfs/dbraw/zinc/07/75/37/838077537.db2.gz OGVBZONOUNNWED-ONGXEEELSA-N 2 2 293.371 0.848 20 0 CCADLP O=C(Cn1c[nH+]c2c1CCCC2)NCC[NH2+]CCF ZINC001131424046 838089808 /nfs/dbraw/zinc/08/98/08/838089808.db2.gz HTGATVBVFWEBBZ-UHFFFAOYSA-N 2 2 268.336 0.437 20 0 CCADLP C[C@H](Nc1cc2c(c[nH+]1)OCC(=O)N2)[C@@H]1C[NH2+]CCO1 ZINC001170561390 838099257 /nfs/dbraw/zinc/09/92/57/838099257.db2.gz DVUDRMDCTLCXII-WPRPVWTQSA-N 2 2 278.312 0.201 20 0 CCADLP C[C@H](Nc1cc2c(c[nH+]1)OCC(=O)N2)[C@H]1C[NH2+]CCO1 ZINC001170561389 838100186 /nfs/dbraw/zinc/10/01/86/838100186.db2.gz DVUDRMDCTLCXII-WCBMZHEXSA-N 2 2 278.312 0.201 20 0 CCADLP COC(=O)c1[nH+]ccc(N[C@H](C)[C@H]2C[NH2+]CCO2)c1C ZINC001170568304 838134054 /nfs/dbraw/zinc/13/40/54/838134054.db2.gz GCXRSWNUWLFZGJ-ZYHUDNBSSA-N 2 2 279.340 0.387 20 0 CCADLP CCCC[C@H]([NH2+]CCNC(=O)CCn1cc[nH+]c1)C(N)=O ZINC001132082463 838314036 /nfs/dbraw/zinc/31/40/36/838314036.db2.gz PMHMQQAFVGZNJF-LBPRGKRZSA-N 2 2 295.387 0.023 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]CCC1CCOCC1 ZINC001132082660 838314063 /nfs/dbraw/zinc/31/40/63/838314063.db2.gz SIAQZGGJLJTEOX-UHFFFAOYSA-N 2 2 294.399 0.796 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[N@@H+]1CCO ZINC001132222448 838340786 /nfs/dbraw/zinc/34/07/86/838340786.db2.gz XZCFWWIKTMDQOR-STQMWFEESA-N 2 2 280.372 0.235 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[N@H+]1CCO ZINC001132222448 838340792 /nfs/dbraw/zinc/34/07/92/838340792.db2.gz XZCFWWIKTMDQOR-STQMWFEESA-N 2 2 280.372 0.235 20 0 CCADLP CC(C)(C(=O)NCC[NH2+]Cc1cnon1)[NH+]1CCCC1 ZINC001132284107 838349977 /nfs/dbraw/zinc/34/99/77/838349977.db2.gz WGZZWTPAAYXVEV-UHFFFAOYSA-N 2 2 281.360 0.150 20 0 CCADLP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+]Cc2cnon2)C1 ZINC001132738502 838480851 /nfs/dbraw/zinc/48/08/51/838480851.db2.gz GAQAOKVQKBEDOW-LBPRGKRZSA-N 2 2 295.387 0.397 20 0 CCADLP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH2+]Cc2cnon2)C1 ZINC001132738502 838480857 /nfs/dbraw/zinc/48/08/57/838480857.db2.gz GAQAOKVQKBEDOW-LBPRGKRZSA-N 2 2 295.387 0.397 20 0 CCADLP CC(C)[NH2+]CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001132784317 838494972 /nfs/dbraw/zinc/49/49/72/838494972.db2.gz PQRYSTCDIUNTEB-AWEZNQCLSA-N 2 2 283.416 0.744 20 0 CCADLP CC(C)[NH2+]CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001132784317 838494975 /nfs/dbraw/zinc/49/49/75/838494975.db2.gz PQRYSTCDIUNTEB-AWEZNQCLSA-N 2 2 283.416 0.744 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)CCC[NH+](C)C)o1 ZINC001133040403 838538842 /nfs/dbraw/zinc/53/88/42/838538842.db2.gz PJARGYNLQAIQSV-UHFFFAOYSA-N 2 2 268.361 0.531 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]CCNC(=O)CCC[NH+](C)C)n1 ZINC001133051725 838543090 /nfs/dbraw/zinc/54/30/90/838543090.db2.gz MLURCSMMJLOTII-SNVBAGLBSA-N 2 2 283.376 0.487 20 0 CCADLP CCCc1noc(C[NH2+]CCNC(=O)CC[NH+](C)C)n1 ZINC001133294440 838590803 /nfs/dbraw/zinc/59/08/03/838590803.db2.gz IXRULGPZFHNDAM-UHFFFAOYSA-N 2 2 283.376 0.180 20 0 CCADLP CCC[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001133654068 838688860 /nfs/dbraw/zinc/68/88/60/838688860.db2.gz DGJDKIWGWMQYCE-JTQLQIEISA-N 2 2 250.346 0.945 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)o1 ZINC001133865260 838755293 /nfs/dbraw/zinc/75/52/93/838755293.db2.gz BLDUHDBCGHOPPE-AAEUAGOBSA-N 2 2 294.399 0.641 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)o1 ZINC001133865260 838755299 /nfs/dbraw/zinc/75/52/99/838755299.db2.gz BLDUHDBCGHOPPE-AAEUAGOBSA-N 2 2 294.399 0.641 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)o1 ZINC001133865263 838756467 /nfs/dbraw/zinc/75/64/67/838756467.db2.gz BLDUHDBCGHOPPE-YPMHNXCESA-N 2 2 294.399 0.641 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)o1 ZINC001133865263 838756469 /nfs/dbraw/zinc/75/64/69/838756469.db2.gz BLDUHDBCGHOPPE-YPMHNXCESA-N 2 2 294.399 0.641 20 0 CCADLP CC(C)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134045339 838842626 /nfs/dbraw/zinc/84/26/26/838842626.db2.gz BXVDWDWWMFRJET-VXGBXAGGSA-N 2 2 264.373 0.885 20 0 CCADLP COC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134046230 838842752 /nfs/dbraw/zinc/84/27/52/838842752.db2.gz VZDVRLXSKFMDLC-IJLUTSLNSA-N 2 2 280.372 0.264 20 0 CCADLP CC[C@@H](C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)OC ZINC001134042278 838843066 /nfs/dbraw/zinc/84/30/66/838843066.db2.gz CDFIEUNDFOFHBH-YNEHKIRRSA-N 2 2 294.399 0.654 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CCC(F)(F)F ZINC001134392891 838965337 /nfs/dbraw/zinc/96/53/37/838965337.db2.gz AHJJCXIGAPKOJO-UHFFFAOYSA-N 2 2 264.251 0.610 20 0 CCADLP COC(=O)c1c[nH]c2nc[nH+]c(NCC3C[NH+](C)C3)c12 ZINC001159219365 839025320 /nfs/dbraw/zinc/02/53/20/839025320.db2.gz GYUVPDYCUKJRSL-UHFFFAOYSA-N 2 2 275.312 0.670 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@H]1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001170777823 839105243 /nfs/dbraw/zinc/10/52/43/839105243.db2.gz DDTVSQPWIKTEDG-WCQYABFASA-N 2 2 262.357 0.674 20 0 CCADLP OC[C@H]1C[NH2+]C[C@H]1Nc1cc[nH+]c(OC2CCOCC2)c1 ZINC001170787866 839148106 /nfs/dbraw/zinc/14/81/06/839148106.db2.gz GLDGYAJYEYBSFH-BXUZGUMPSA-N 2 2 293.367 0.632 20 0 CCADLP C(C[NH+]1CCOCC1)N1CC[NH+]([C@@H]2CCCOCC2)CC1 ZINC001170818565 839265144 /nfs/dbraw/zinc/26/51/44/839265144.db2.gz CXVLLVTXLDZIMU-MRXNPFEDSA-N 2 2 297.443 0.505 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)C[NH+](CC)CC)s1 ZINC001135511191 839277226 /nfs/dbraw/zinc/27/72/26/839277226.db2.gz LAKOFCSCOSBYLP-UHFFFAOYSA-N 2 2 299.444 0.648 20 0 CCADLP CC1CC[NH+](CC(=O)NCC[NH2+]Cc2nncs2)CC1 ZINC001135702293 839365258 /nfs/dbraw/zinc/36/52/58/839365258.db2.gz FEMCBEKTRKVXRU-UHFFFAOYSA-N 2 2 297.428 0.476 20 0 CCADLP CC[C@]([NH3+])(CO)Nc1cncc(-n2cc[nH+]c2C)n1 ZINC001170858538 839446320 /nfs/dbraw/zinc/44/63/20/839446320.db2.gz ONOYTYZNFHGXJS-GFCCVEGCSA-N 2 2 262.317 0.440 20 0 CCADLP CC[C@@]([NH3+])(CO)Nc1ccc(C[C@H]([NH3+])C(=O)OC)cc1 ZINC001170864498 839458411 /nfs/dbraw/zinc/45/84/11/839458411.db2.gz IPDFVXRIZWPURP-JSGCOSHPSA-N 2 2 281.356 0.199 20 0 CCADLP CC[C@]([NH3+])(CO)Nc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001170865216 839458562 /nfs/dbraw/zinc/45/85/62/839458562.db2.gz KOIFCWQLQFSOET-CQSZACIVSA-N 3 2 275.356 0.490 20 0 CCADLP C([NH2+][C@H]1CCCOC1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246126371 839632751 /nfs/dbraw/zinc/63/27/51/839632751.db2.gz LGHDRYDVQFWITN-STQMWFEESA-N 3 2 253.390 0.629 20 0 CCADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@@H]2COC3)CC[NH2+]1 ZINC001246152046 839646841 /nfs/dbraw/zinc/64/68/41/839646841.db2.gz WMWMGIALKCHMHG-SEBNEYGDSA-N 3 2 267.417 0.587 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[N@@H+](CC2CCC2)C[C@H]1O ZINC001090602362 839667873 /nfs/dbraw/zinc/66/78/73/839667873.db2.gz YPWMJLDXYJVZKC-UONOGXRCSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[N@H+](CC2CCC2)C[C@H]1O ZINC001090602362 839667876 /nfs/dbraw/zinc/66/78/76/839667876.db2.gz YPWMJLDXYJVZKC-UONOGXRCSA-N 2 2 292.383 0.304 20 0 CCADLP CCOC(=O)CN(CC[NH3+])c1cccc(C(=[NH2+])OC)c1 ZINC001170995854 839683764 /nfs/dbraw/zinc/68/37/64/839683764.db2.gz XNVUIEDCLYACFC-UHFFFAOYSA-N 2 2 279.340 0.987 20 0 CCADLP CC(C)C[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001090680039 839731328 /nfs/dbraw/zinc/73/13/28/839731328.db2.gz RWOMLFVNCGRYNF-NEPJUHHUSA-N 2 2 280.372 0.160 20 0 CCADLP CC(C)C[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001090680039 839731332 /nfs/dbraw/zinc/73/13/32/839731332.db2.gz RWOMLFVNCGRYNF-NEPJUHHUSA-N 2 2 280.372 0.160 20 0 CCADLP CCCC[C@@H]1C[C@H]([NH2+]CCN2CC[NH2+]CC2=O)CC[NH2+]1 ZINC001246355533 839816078 /nfs/dbraw/zinc/81/60/78/839816078.db2.gz JDBUSIDEGORCIC-ZIAGYGMSSA-N 3 2 282.432 0.319 20 0 CCADLP C[C@@H](F)CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001185918149 844474422 /nfs/dbraw/zinc/47/44/22/844474422.db2.gz IUCDRROMDZYQEI-GHMZBOCLSA-N 2 2 268.336 0.891 20 0 CCADLP Cc1nc(N2C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C2)cc[nH+]1 ZINC001090820625 839833862 /nfs/dbraw/zinc/83/38/62/839833862.db2.gz DTDNSCBWDIQURC-DGCLKSJQSA-N 2 2 291.399 0.678 20 0 CCADLP CN(CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1)C(N)=[NH2+] ZINC001144129273 839956872 /nfs/dbraw/zinc/95/68/72/839956872.db2.gz XQHAVQAABUVIIJ-UHFFFAOYSA-N 2 2 272.312 0.636 20 0 CCADLP COC(C)(C)[C@H]1CCCN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001160582018 840027321 /nfs/dbraw/zinc/02/73/21/840027321.db2.gz KANZJWBZCBBZDC-WUHRBBMRSA-N 2 2 281.400 0.352 20 0 CCADLP COc1ncc(C[N@H+](C)CCN2CC[NH+](C)CC2)cc1F ZINC001144468083 840060044 /nfs/dbraw/zinc/06/00/44/840060044.db2.gz KQWMEYSWMKTCLF-UHFFFAOYSA-N 2 2 296.390 0.909 20 0 CCADLP COc1ncc(C[N@@H+](C)CCN2CC[NH+](C)CC2)cc1F ZINC001144468083 840060051 /nfs/dbraw/zinc/06/00/51/840060051.db2.gz KQWMEYSWMKTCLF-UHFFFAOYSA-N 2 2 296.390 0.909 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[NH2+]C[C@@H](C)C2)CN1 ZINC001246570573 840061338 /nfs/dbraw/zinc/06/13/38/840061338.db2.gz JPUPBWPQGUZBEX-UPJWGTAASA-N 2 2 269.389 0.211 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CC[NH2+]C[C@@H](C)C2)CN1 ZINC001246570573 840061342 /nfs/dbraw/zinc/06/13/42/840061342.db2.gz JPUPBWPQGUZBEX-UPJWGTAASA-N 2 2 269.389 0.211 20 0 CCADLP COCCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001186221773 844521140 /nfs/dbraw/zinc/52/11/40/844521140.db2.gz OMFGVGCIBNFFMJ-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP COCCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001186221773 844521145 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Cn1c[nH+]cc1CC(=O)NCC[NH2+]CC[C@H]1CCOC1 ZINC001147871802 840707950 /nfs/dbraw/zinc/70/79/50/840707950.db2.gz MLFAWKLVPBBUIA-LBPRGKRZSA-N 2 2 280.372 0.095 20 0 CCADLP CC[C@H](C)C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147872044 840708980 /nfs/dbraw/zinc/70/89/80/840708980.db2.gz YHERMEGFZNQSFF-NSHDSACASA-N 2 2 252.362 0.715 20 0 CCADLP COCCCC[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147877587 840710031 /nfs/dbraw/zinc/71/00/31/840710031.db2.gz MGZHCFBMKWLLFD-UHFFFAOYSA-N 2 2 268.361 0.095 20 0 CCADLP COCCCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186576094 844569905 /nfs/dbraw/zinc/56/99/05/844569905.db2.gz LNODWBPMQAIRFY-GFCCVEGCSA-N 2 2 280.372 0.569 20 0 CCADLP CCC[N@H+](C)CCC(=O)NCC[NH2+]Cc1nonc1C ZINC001148570827 840838159 /nfs/dbraw/zinc/83/81/59/840838159.db2.gz NMVPNIWNRDZTHP-UHFFFAOYSA-N 2 2 283.376 0.316 20 0 CCADLP CCC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1nonc1C ZINC001148570827 840838178 /nfs/dbraw/zinc/83/81/78/840838178.db2.gz NMVPNIWNRDZTHP-UHFFFAOYSA-N 2 2 283.376 0.316 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1nnc(CC)[nH]1 ZINC001148642928 840864265 /nfs/dbraw/zinc/86/42/65/840864265.db2.gz QRPIALUCPYYMER-NSHDSACASA-N 2 2 296.419 0.476 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1nnc(CC)[nH]1 ZINC001148642928 840864268 /nfs/dbraw/zinc/86/42/68/840864268.db2.gz QRPIALUCPYYMER-NSHDSACASA-N 2 2 296.419 0.476 20 0 CCADLP O[C@H](C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)C(F)(F)F ZINC000714994173 841237403 /nfs/dbraw/zinc/23/74/03/841237403.db2.gz GUPQBZDKLHFWCO-IVZWLZJFSA-N 2 2 252.280 0.984 20 0 CCADLP O[C@H](C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)C(F)(F)F ZINC000714994173 841237413 /nfs/dbraw/zinc/23/74/13/841237413.db2.gz GUPQBZDKLHFWCO-IVZWLZJFSA-N 2 2 252.280 0.984 20 0 CCADLP CCC[NH+]1CCN(C2C[C@@H]3COC[C@H](C2)[N@@H+]3C)CC1 ZINC001172139769 841845412 /nfs/dbraw/zinc/84/54/12/841845412.db2.gz UPJUXCKPUGQIJN-GOOCMWNKSA-N 2 2 267.417 0.876 20 0 CCADLP CCC[NH+]1CCN(C2C[C@@H]3COC[C@H](C2)[N@H+]3C)CC1 ZINC001172139769 841845416 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267.352 0.804 20 0 CCADLP CN(C)c1ncc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)cn1 ZINC001206163184 841892198 /nfs/dbraw/zinc/89/21/98/841892198.db2.gz AJSGDBJRGCBNSQ-NEPJUHHUSA-N 2 2 267.352 0.804 20 0 CCADLP COCCC[NH+]1CCC([N@@H+]2CCC3(C2)OCCO3)CC1 ZINC001172255471 841915735 /nfs/dbraw/zinc/91/57/35/841915735.db2.gz SEDRWNFXOIINOY-UHFFFAOYSA-N 2 2 284.400 0.936 20 0 CCADLP COCCC[NH+]1CCC([N@H+]2CCC3(C2)OCCO3)CC1 ZINC001172255471 841915745 /nfs/dbraw/zinc/91/57/45/841915745.db2.gz SEDRWNFXOIINOY-UHFFFAOYSA-N 2 2 284.400 0.936 20 0 CCADLP COC(=O)[C@@H]1CCC[C@H]([NH2+]C2(CO)CC[NH+](C)CC2)C1 ZINC001172610858 841945168 /nfs/dbraw/zinc/94/51/68/841945168.db2.gz KVAACPVLHZLBTA-OLZOCXBDSA-N 2 2 284.400 0.765 20 0 CCADLP COC(=O)[C@H]1CCC[C@@H](NC(=[NH2+])N2CC[NH+](C)CC2)CC1 ZINC001172769176 841970906 /nfs/dbraw/zinc/97/09/06/841970906.db2.gz APDUDJFNVFJBQE-QWHCGFSZSA-N 2 2 296.415 0.880 20 0 CCADLP CC(C)(C)OC(=O)C[NH+]1CCC(NC2(C[NH3+])COC2)CC1 ZINC001172886849 841981340 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O=C(CCc1[nH]cc[nH+]1)N1CC[NH+](C2CCOCC2)CC1 ZINC001177994570 842734285 /nfs/dbraw/zinc/73/42/85/842734285.db2.gz HLZFJYVVHVFHHX-UHFFFAOYSA-N 2 2 292.383 0.666 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CCCO)CCN1C(=O)CCc1c[nH+]cn1C ZINC001180033405 843099815 /nfs/dbraw/zinc/09/98/15/843099815.db2.gz PRFDATAQMJUWFI-JSGCOSHPSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CCCO)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001180268500 843137612 /nfs/dbraw/zinc/13/76/12/843137612.db2.gz CYYOESWBDXXBOO-KBPBESRZSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CCCF)CCN1C(=O)Cn1cc[nH+]c1 ZINC001180279601 843142765 /nfs/dbraw/zinc/14/27/65/843142765.db2.gz GZRGXXQRKZODNC-RYUDHWBXSA-N 2 2 268.336 0.822 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)[C@H](C)[NH+]1CCCC1 ZINC001180582904 843217347 /nfs/dbraw/zinc/21/73/47/843217347.db2.gz SMLSQLFNVWCKPL-LBPRGKRZSA-N 2 2 280.372 0.630 20 0 CCADLP CC(C)(C)[NH+]1CC(NC(=O)Cc2cc[nH+]c(N)c2)C1 ZINC001181277602 843439975 /nfs/dbraw/zinc/43/99/75/843439975.db2.gz YQUUKTDTSXYSFT-UHFFFAOYSA-N 2 2 262.357 0.805 20 0 CCADLP C[C@H](O)CCC[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192551478 845866647 /nfs/dbraw/zinc/86/66/47/845866647.db2.gz PRWQNXAHKKWEKT-JSGCOSHPSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@H](O)CCC[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192551478 845866651 /nfs/dbraw/zinc/86/66/51/845866651.db2.gz PRWQNXAHKKWEKT-JSGCOSHPSA-N 2 2 294.399 0.646 20 0 CCADLP CO[C@@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193046916 845964349 /nfs/dbraw/zinc/96/43/49/845964349.db2.gz ADFQEIYMTFJSQD-NWDGAFQWSA-N 2 2 280.372 0.520 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193046916 845964355 /nfs/dbraw/zinc/96/43/55/845964355.db2.gz ADFQEIYMTFJSQD-NWDGAFQWSA-N 2 2 280.372 0.520 20 0 CCADLP COC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001193460321 846080304 /nfs/dbraw/zinc/08/03/04/846080304.db2.gz AZAMPQVPQNKLJN-CHWSQXEVSA-N 2 2 294.399 0.530 20 0 CCADLP COC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001193460321 846080311 /nfs/dbraw/zinc/08/03/11/846080311.db2.gz AZAMPQVPQNKLJN-CHWSQXEVSA-N 2 2 294.399 0.530 20 0 CCADLP CO[C@@H](C)C[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001193460415 846080706 /nfs/dbraw/zinc/08/07/06/846080706.db2.gz CBHIXERQSWKGEE-STQMWFEESA-N 2 2 294.399 0.530 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001193460415 846080715 /nfs/dbraw/zinc/08/07/15/846080715.db2.gz CBHIXERQSWKGEE-STQMWFEESA-N 2 2 294.399 0.530 20 0 CCADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[NH2+]Cc1cnsn1 ZINC001152136471 846380563 /nfs/dbraw/zinc/38/05/63/846380563.db2.gz DLMMLAGCVHLMMZ-QWRGUYRKSA-N 2 2 297.428 0.617 20 0 CCADLP CCn1ncc(C[NH2+]CCCCN2CC[NH+](C)CC2)n1 ZINC001199239158 847267863 /nfs/dbraw/zinc/26/78/63/847267863.db2.gz ZYCBLYMBJGAFLZ-UHFFFAOYSA-N 2 2 280.420 0.415 20 0 CCADLP COCC[N@H+](CCCC(=O)OC)C1CC[NH+](C)CC1 ZINC001202227884 847871438 /nfs/dbraw/zinc/87/14/38/847871438.db2.gz ACCRKEQWYGTVHM-UHFFFAOYSA-N 2 2 272.389 0.982 20 0 CCADLP COCC[N@@H+](CCCC(=O)OC)C1CC[NH+](C)CC1 ZINC001202227884 847871443 /nfs/dbraw/zinc/87/14/43/847871443.db2.gz ACCRKEQWYGTVHM-UHFFFAOYSA-N 2 2 272.389 0.982 20 0 CCADLP C[C@@H](O)CCC[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001202667786 848206740 /nfs/dbraw/zinc/20/67/40/848206740.db2.gz MWLGRUADGVATRE-GFCCVEGCSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001274054275 848329409 /nfs/dbraw/zinc/32/94/09/848329409.db2.gz YJYNDDKSUSLYDI-SWLSCSKDSA-N 2 2 292.383 0.225 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001274054275 848329421 /nfs/dbraw/zinc/32/94/21/848329421.db2.gz YJYNDDKSUSLYDI-SWLSCSKDSA-N 2 2 292.383 0.225 20 0 CCADLP COCC[N@@H+]1CCC[C@@]2(CCC[NH+](CC(=O)N(C)C)C2)C1 ZINC001274981131 848606238 /nfs/dbraw/zinc/60/62/38/848606238.db2.gz ZYCZFYNMRXQOTB-MRXNPFEDSA-N 2 2 297.443 0.899 20 0 CCADLP COCC[N@H+]1CCC[C@@]2(CCC[NH+](CC(=O)N(C)C)C2)C1 ZINC001274981131 848606245 /nfs/dbraw/zinc/60/62/45/848606245.db2.gz ZYCZFYNMRXQOTB-MRXNPFEDSA-N 2 2 297.443 0.899 20 0 CCADLP COCC[NH+]1CCC[C@@]2(CCC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001274981131 848606250 /nfs/dbraw/zinc/60/62/50/848606250.db2.gz ZYCZFYNMRXQOTB-MRXNPFEDSA-N 2 2 297.443 0.899 20 0 CCADLP COCC[NH+]1CCC[C@@]2(CCC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001274981131 848606251 /nfs/dbraw/zinc/60/62/51/848606251.db2.gz ZYCZFYNMRXQOTB-MRXNPFEDSA-N 2 2 297.443 0.899 20 0 CCADLP c1cn(CCN2CC3(C2)C[NH+](CC2CCOCC2)C3)c[nH+]1 ZINC001275171856 848655869 /nfs/dbraw/zinc/65/58/69/848655869.db2.gz PQUOUTXMHWSNIG-UHFFFAOYSA-N 2 2 290.411 0.927 20 0 CCADLP C[NH+](C)CCN1C[C@@H]2C[N@@H+](Cc3ccco3)C[C@H](C1)O2 ZINC001275236060 848676191 /nfs/dbraw/zinc/67/61/91/848676191.db2.gz MSOUAMNXSHZPRP-GASCZTMLSA-N 2 2 279.384 0.726 20 0 CCADLP C[NH+](C)CCN1C[C@@H]2C[N@H+](Cc3ccco3)C[C@H](C1)O2 ZINC001275236060 848676195 /nfs/dbraw/zinc/67/61/95/848676195.db2.gz MSOUAMNXSHZPRP-GASCZTMLSA-N 2 2 279.384 0.726 20 0 CCADLP CNc1ncccc1C[NH+]1CC2(CCN2CC[NH+](C)C)C1 ZINC001275626560 848777144 /nfs/dbraw/zinc/77/71/44/848777144.db2.gz OUHZUHCEIHOOGN-UHFFFAOYSA-N 2 2 289.427 0.945 20 0 CCADLP Cc1ccc(C[NH+]2CC3(CN(CC[NH+](C)C)C3)C2)c(N)n1 ZINC001275814256 848833797 /nfs/dbraw/zinc/83/37/97/848833797.db2.gz GNTNDHDZNUBPRY-UHFFFAOYSA-N 2 2 289.427 0.651 20 0 CCADLP Cn1nccc1C[NH+]1CC2(C1)CCN(CC[NH+](C)C)C2 ZINC001276281466 848984476 /nfs/dbraw/zinc/98/44/76/848984476.db2.gz FJTXFVNFBIHRDA-UHFFFAOYSA-N 2 2 277.416 0.489 20 0 CCADLP OCC[NH2+]C1CC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000686276776 849067343 /nfs/dbraw/zinc/06/73/43/849067343.db2.gz XJYGETRVRGCJMY-JTQLQIEISA-N 2 2 270.295 0.346 20 0 CCADLP COC(=O)CCS(=O)(=O)CC[C@@H](C)[NH2+]C(C)(C)C[NH3+] ZINC001257913907 849103746 /nfs/dbraw/zinc/10/37/46/849103746.db2.gz GSAAPXLYMQCJCH-SNVBAGLBSA-N 2 2 294.417 0.070 20 0 CCADLP CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001037117546 849337099 /nfs/dbraw/zinc/33/70/99/849337099.db2.gz PNYJCJWDFGQJHK-DGCLKSJQSA-N 2 2 264.373 0.857 20 0 CCADLP CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC001037117545 849337160 /nfs/dbraw/zinc/33/71/60/849337160.db2.gz PNYJCJWDFGQJHK-AAEUAGOBSA-N 2 2 264.373 0.857 20 0 CCADLP [NH3+][C@@H]1CN(CC[NH+]2CCOCC2)C[C@H]1C(F)(F)F ZINC000720894799 849561486 /nfs/dbraw/zinc/56/14/86/849561486.db2.gz UTRWMFOMXUYJBP-NXEZZACHSA-N 2 2 267.295 0.140 20 0 CCADLP CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC001114889066 849574985 /nfs/dbraw/zinc/57/49/85/849574985.db2.gz SQHURQYJVMPHFR-IMRBUKKESA-N 2 2 278.356 0.035 20 0 CCADLP CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC001114889066 849574988 /nfs/dbraw/zinc/57/49/88/849574988.db2.gz SQHURQYJVMPHFR-IMRBUKKESA-N 2 2 278.356 0.035 20 0 CCADLP CC[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1[NH2+]CCO ZINC001037825647 849591195 /nfs/dbraw/zinc/59/11/95/849591195.db2.gz DSIGKAPUPRQIPQ-QWHCGFSZSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000381261287 849749386 /nfs/dbraw/zinc/74/93/86/849749386.db2.gz PGXVMCQZGCVELG-WOPDTQHZSA-N 2 2 250.346 0.918 20 0 CCADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000724312591 850197557 /nfs/dbraw/zinc/19/75/57/850197557.db2.gz DVXIYPWQIMAXME-JVGWCMFKSA-N 2 2 272.414 0.825 20 0 CCADLP CC(C)[NH+]1CC(N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001043124109 850818608 /nfs/dbraw/zinc/81/86/08/850818608.db2.gz NJDAEMDQNGYHAL-LBPRGKRZSA-N 2 2 276.384 0.997 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+](C[C@H](C)O)C1 ZINC001043198560 850827052 /nfs/dbraw/zinc/82/70/52/850827052.db2.gz UIPHPDIQQZMZES-DZGCQCFKSA-N 2 2 297.443 0.630 20 0 CCADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+](C[C@H](C)O)C1 ZINC001043198560 850827059 /nfs/dbraw/zinc/82/70/59/850827059.db2.gz UIPHPDIQQZMZES-DZGCQCFKSA-N 2 2 297.443 0.630 20 0 CCADLP COC[C@@H](C)[NH+]1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001043218317 850838467 /nfs/dbraw/zinc/83/84/67/850838467.db2.gz RHGHIHLURXIHJN-CYBMUJFWSA-N 2 2 295.427 0.792 20 0 CCADLP COC[C@@H](C)[NH+]1CC(N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001043875269 850954702 /nfs/dbraw/zinc/95/47/02/850954702.db2.gz KBXHBPXGRDLSAU-QWHCGFSZSA-N 2 2 283.416 0.648 20 0 CCADLP COC[C@@H](C)[NH+]1CC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001043875269 850954705 /nfs/dbraw/zinc/95/47/05/850954705.db2.gz KBXHBPXGRDLSAU-QWHCGFSZSA-N 2 2 283.416 0.648 20 0 CCADLP CC(C)(C)OC(=O)[C@@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001253704815 851043904 /nfs/dbraw/zinc/04/39/04/851043904.db2.gz VNMRRGNZTDSPGI-ZDUSSCGKSA-N 2 2 284.400 0.905 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1C[NH+](CC2CC2)C1 ZINC001044232130 851045916 /nfs/dbraw/zinc/04/59/16/851045916.db2.gz GRDMAXUTHYCYPO-UHFFFAOYSA-N 2 2 262.357 0.813 20 0 CCADLP CCCC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001044320973 851075194 /nfs/dbraw/zinc/07/51/94/851075194.db2.gz SBLOFSLAVLXLQR-AWEZNQCLSA-N 2 2 283.416 0.650 20 0 CCADLP CCCC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001044320973 851075203 /nfs/dbraw/zinc/07/52/03/851075203.db2.gz SBLOFSLAVLXLQR-AWEZNQCLSA-N 2 2 283.416 0.650 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001044330205 851077960 /nfs/dbraw/zinc/07/79/60/851077960.db2.gz VEJMXKUVURTVCE-CHWSQXEVSA-N 2 2 283.416 0.648 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+](C[C@@H](C)O)C1 ZINC001044336782 851080015 /nfs/dbraw/zinc/08/00/15/851080015.db2.gz VXVSBAJOIMSRDX-TZMCWYRMSA-N 2 2 283.416 0.384 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C1C[NH+](C[C@@H](C)O)C1 ZINC001044336782 851080020 /nfs/dbraw/zinc/08/00/20/851080020.db2.gz VXVSBAJOIMSRDX-TZMCWYRMSA-N 2 2 283.416 0.384 20 0 CCADLP CN(C(=O)Cn1cc[nH+]c1)C1C[NH+](CC2CCC2)C1 ZINC001044365609 851087054 /nfs/dbraw/zinc/08/70/54/851087054.db2.gz WMYAJBNWUXPTAD-UHFFFAOYSA-N 2 2 262.357 0.826 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCO)CCN1C(=O)CCc1[nH+]ccn1C ZINC001044685720 851143681 /nfs/dbraw/zinc/14/36/81/851143681.db2.gz PBEABGJSLQVQQN-OLZOCXBDSA-N 2 2 294.399 0.314 20 0 CCADLP CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001045397470 851250304 /nfs/dbraw/zinc/25/03/04/851250304.db2.gz CNXXBWGLGSPTEW-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001045397470 851250316 /nfs/dbraw/zinc/25/03/16/851250316.db2.gz CNXXBWGLGSPTEW-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C12CC[NH+](CC1)C2 ZINC000901187754 851648947 /nfs/dbraw/zinc/64/89/47/851648947.db2.gz BVKBDGPXOQTFOB-CYBMUJFWSA-N 2 2 286.379 0.872 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001048336473 851939656 /nfs/dbraw/zinc/93/96/56/851939656.db2.gz YJPOLVBMVJAMBG-QWHCGFSZSA-N 2 2 264.373 0.977 20 0 CCADLP Cc1nc(N2CC[C@@H](NC(=O)CCC[NH+](C)C)C2)cc[nH+]1 ZINC001096470512 852160357 /nfs/dbraw/zinc/16/03/57/852160357.db2.gz UYQIJVWCRTXIPG-CYBMUJFWSA-N 2 2 291.399 0.822 20 0 CCADLP CCC[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC001049174536 852184891 /nfs/dbraw/zinc/18/48/91/852184891.db2.gz USRBGYMTOZTLGE-BETUJISGSA-N 2 2 276.384 0.763 20 0 CCADLP CCC[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC001049174536 852184898 /nfs/dbraw/zinc/18/48/98/852184898.db2.gz USRBGYMTOZTLGE-BETUJISGSA-N 2 2 276.384 0.763 20 0 CCADLP COC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001049248441 852202965 /nfs/dbraw/zinc/20/29/65/852202965.db2.gz ZCLAXTSVTDOFFJ-MELADBBJSA-N 2 2 292.383 0.308 20 0 CCADLP COC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001049248441 852202974 /nfs/dbraw/zinc/20/29/74/852202974.db2.gz ZCLAXTSVTDOFFJ-MELADBBJSA-N 2 2 292.383 0.308 20 0 CCADLP CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001049391030 852254723 /nfs/dbraw/zinc/25/47/23/852254723.db2.gz FYZAVRGMWDMWGI-MGPQQGTHSA-N 2 2 281.400 0.402 20 0 CCADLP CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001049391030 852254710 /nfs/dbraw/zinc/25/47/10/852254710.db2.gz FYZAVRGMWDMWGI-MGPQQGTHSA-N 2 2 281.400 0.402 20 0 CCADLP CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001049391030 852254715 /nfs/dbraw/zinc/25/47/15/852254715.db2.gz FYZAVRGMWDMWGI-MGPQQGTHSA-N 2 2 281.400 0.402 20 0 CCADLP CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001049391030 852254726 /nfs/dbraw/zinc/25/47/26/852254726.db2.gz FYZAVRGMWDMWGI-MGPQQGTHSA-N 2 2 281.400 0.402 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CCC[C@H]2[C@H]1CC[N@H+]2CCO ZINC001049447183 852279480 /nfs/dbraw/zinc/27/94/80/852279480.db2.gz MLKOLPOQQZHYNJ-QWHCGFSZSA-N 2 2 292.383 0.400 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCO ZINC001049447183 852279493 /nfs/dbraw/zinc/27/94/93/852279493.db2.gz MLKOLPOQQZHYNJ-QWHCGFSZSA-N 2 2 292.383 0.400 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)CC[C@H]1CCC[N@@H+]1C)CCO2 ZINC001053294217 852723704 /nfs/dbraw/zinc/72/37/04/852723704.db2.gz RNEWQIBHXVNHLE-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)CC[C@H]1CCC[N@H+]1C)CCO2 ZINC001053294217 852723706 /nfs/dbraw/zinc/72/37/06/852723706.db2.gz RNEWQIBHXVNHLE-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP CC(C)[NH+]1CC2(C1)CN(C(=O)C13CC[NH+](CC1)C3)CCO2 ZINC001053510606 852752530 /nfs/dbraw/zinc/75/25/30/852752530.db2.gz PLOYZYYLVWTWKD-UHFFFAOYSA-N 2 2 293.411 0.404 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCO)C1 ZINC001054795347 853015816 /nfs/dbraw/zinc/01/58/16/853015816.db2.gz WFWXQSOTBABVGW-DGCLKSJQSA-N 2 2 293.367 0.062 20 0 CCADLP C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1[NH2+]CCO ZINC001054798020 853015977 /nfs/dbraw/zinc/01/59/77/853015977.db2.gz ONJRQIOGHLWCSF-IINYFYTJSA-N 2 2 288.351 0.605 20 0 CCADLP CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001050924048 853488360 /nfs/dbraw/zinc/48/83/60/853488360.db2.gz ZTPKKCRDRPFNKH-MGPQQGTHSA-N 2 2 283.416 0.554 20 0 CCADLP CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001050924048 853488365 /nfs/dbraw/zinc/48/83/65/853488365.db2.gz ZTPKKCRDRPFNKH-MGPQQGTHSA-N 2 2 283.416 0.554 20 0 CCADLP CCC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001050924048 853488366 /nfs/dbraw/zinc/48/83/66/853488366.db2.gz ZTPKKCRDRPFNKH-MGPQQGTHSA-N 2 2 283.416 0.554 20 0 CCADLP CCC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001050924048 853488370 /nfs/dbraw/zinc/48/83/70/853488370.db2.gz ZTPKKCRDRPFNKH-MGPQQGTHSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001050983768 853500557 /nfs/dbraw/zinc/50/05/57/853500557.db2.gz VSYQTHLOMOEDRV-LSDHHAIUSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001050983768 853500559 /nfs/dbraw/zinc/50/05/59/853500559.db2.gz VSYQTHLOMOEDRV-LSDHHAIUSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)C[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001050983768 853500561 /nfs/dbraw/zinc/50/05/61/853500561.db2.gz VSYQTHLOMOEDRV-LSDHHAIUSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)C[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001050983768 853500563 /nfs/dbraw/zinc/50/05/63/853500563.db2.gz VSYQTHLOMOEDRV-LSDHHAIUSA-N 2 2 297.443 0.944 20 0 CCADLP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2COCC[NH+]2CC)C1 ZINC001051075066 853518555 /nfs/dbraw/zinc/51/85/55/853518555.db2.gz IGJUOONBKXDPQO-CABCVRRESA-N 2 2 297.443 0.945 20 0 CCADLP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H]2COCC[NH+]2CC)C1 ZINC001051075066 853518563 /nfs/dbraw/zinc/51/85/63/853518563.db2.gz IGJUOONBKXDPQO-CABCVRRESA-N 2 2 297.443 0.945 20 0 CCADLP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2COCC[N@@H+]2CC)C1 ZINC001051075066 853518571 /nfs/dbraw/zinc/51/85/71/853518571.db2.gz IGJUOONBKXDPQO-CABCVRRESA-N 2 2 297.443 0.945 20 0 CCADLP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H]2COCC[N@H+]2CC)C1 ZINC001051075066 853518581 /nfs/dbraw/zinc/51/85/81/853518581.db2.gz IGJUOONBKXDPQO-CABCVRRESA-N 2 2 297.443 0.945 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CCO[C@@H](C[NH2+]CC2CC2)C1 ZINC001051581560 853604406 /nfs/dbraw/zinc/60/44/06/853604406.db2.gz JABHTSVGOSUYQN-ZDUSSCGKSA-N 2 2 292.383 0.569 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CCO1 ZINC001051690593 853624718 /nfs/dbraw/zinc/62/47/18/853624718.db2.gz MNOQYJJRVQUPPR-TZMCWYRMSA-N 2 2 292.383 0.282 20 0 CCADLP CC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001051744451 853636074 /nfs/dbraw/zinc/63/60/74/853636074.db2.gz KAWLWJVNMSJAPI-LBPRGKRZSA-N 2 2 266.345 0.110 20 0 CCADLP CC(C)[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001051744694 853637604 /nfs/dbraw/zinc/63/76/04/853637604.db2.gz LEWGIRVUSLNUSA-CYBMUJFWSA-N 2 2 280.372 0.499 20 0 CCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)N[C@@H]1CCC[N@H+](C)C1 ZINC001255475830 854067263 /nfs/dbraw/zinc/06/72/63/854067263.db2.gz WFUSILAAVPVNMZ-YPMHNXCESA-N 2 2 280.372 0.188 20 0 CCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)N[C@@H]1CCC[N@@H+](C)C1 ZINC001255475830 854067271 /nfs/dbraw/zinc/06/72/71/854067271.db2.gz WFUSILAAVPVNMZ-YPMHNXCESA-N 2 2 280.372 0.188 20 0 CCADLP CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)Cc1[nH]cc[nH+]1)C[C@H](C)O2 ZINC001071224020 854138355 /nfs/dbraw/zinc/13/83/55/854138355.db2.gz YCVRJYYYQNMZMV-SWLSCSKDSA-N 2 2 292.383 0.664 20 0 CCADLP CC[N@H+]1CC[C@@]2(C1)CN(C(=O)Cc1[nH]cc[nH+]1)C[C@H](C)O2 ZINC001071224020 854138358 /nfs/dbraw/zinc/13/83/58/854138358.db2.gz YCVRJYYYQNMZMV-SWLSCSKDSA-N 2 2 292.383 0.664 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCCO)C1 ZINC001072029603 854338954 /nfs/dbraw/zinc/33/89/54/854338954.db2.gz IOYZERSNLUKLJL-AAEUAGOBSA-N 2 2 294.399 0.612 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](C)[N@H+](CCCO)C1 ZINC001072029603 854338958 /nfs/dbraw/zinc/33/89/58/854338958.db2.gz IOYZERSNLUKLJL-AAEUAGOBSA-N 2 2 294.399 0.612 20 0 CCADLP CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001073647324 854624559 /nfs/dbraw/zinc/62/45/59/854624559.db2.gz IOJDSKVWZYDCEB-YNEHKIRRSA-N 2 2 292.383 0.740 20 0 CCADLP CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001073647324 854624560 /nfs/dbraw/zinc/62/45/60/854624560.db2.gz IOJDSKVWZYDCEB-YNEHKIRRSA-N 2 2 292.383 0.740 20 0 CCADLP CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001073647324 854624561 /nfs/dbraw/zinc/62/45/61/854624561.db2.gz IOJDSKVWZYDCEB-YNEHKIRRSA-N 2 2 292.383 0.740 20 0 CCADLP CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001073647324 854624562 /nfs/dbraw/zinc/62/45/62/854624562.db2.gz IOJDSKVWZYDCEB-YNEHKIRRSA-N 2 2 292.383 0.740 20 0 CCADLP CC(C)C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001099872316 855013303 /nfs/dbraw/zinc/01/33/03/855013303.db2.gz SGCMQHWBPAFFNG-KBPBESRZSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)C[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001099872316 855013313 /nfs/dbraw/zinc/01/33/13/855013313.db2.gz SGCMQHWBPAFFNG-KBPBESRZSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001099872316 855013318 /nfs/dbraw/zinc/01/33/18/855013318.db2.gz SGCMQHWBPAFFNG-KBPBESRZSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)C[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001099872316 855013326 /nfs/dbraw/zinc/01/33/26/855013326.db2.gz SGCMQHWBPAFFNG-KBPBESRZSA-N 2 2 294.399 0.550 20 0 CCADLP O=C(NCC1CC([NH2+]CCCO)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001100419602 855163699 /nfs/dbraw/zinc/16/36/99/855163699.db2.gz ZEBPUACPUPTMSA-FIYWTHMPSA-N 2 2 292.383 0.380 20 0 CCADLP O=C(NCC1CC([NH2+]CCCO)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001100419602 855163702 /nfs/dbraw/zinc/16/37/02/855163702.db2.gz ZEBPUACPUPTMSA-FIYWTHMPSA-N 2 2 292.383 0.380 20 0 CCADLP CC[NH2+]C1CC(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001100528824 855183191 /nfs/dbraw/zinc/18/31/91/855183191.db2.gz ULWPXCABWSJPKB-UHFFFAOYSA-N 2 2 264.373 0.857 20 0 CCADLP CO[C@H](C)C[NH2+]C1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001100710528 855212975 /nfs/dbraw/zinc/21/29/75/855212975.db2.gz VTKMRGMMIBCPLE-VOMCLLRMSA-N 2 2 280.372 0.472 20 0 CCADLP CC[NH2+]C1CC(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001100871424 855233258 /nfs/dbraw/zinc/23/32/58/855233258.db2.gz QSWWAQMBSXRKCE-UHFFFAOYSA-N 2 2 250.346 0.467 20 0 CCADLP CC[NH+](CC)CC(=O)N(C)CCNc1cc[nH+]c(C)n1 ZINC001101628459 855326574 /nfs/dbraw/zinc/32/65/74/855326574.db2.gz KNCNGTWCWLHCFU-UHFFFAOYSA-N 2 2 279.388 0.997 20 0 CCADLP CC[N@@H+]1CC[C@@H](C[NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC000693024304 855596484 /nfs/dbraw/zinc/59/64/84/855596484.db2.gz GLBRPLATASYROQ-ZDUSSCGKSA-N 2 2 274.430 0.743 20 0 CCADLP CC[N@H+]1CC[C@@H](C[NH2+]CC2CCS(=O)(=O)CC2)C1 ZINC000693024304 855596493 /nfs/dbraw/zinc/59/64/93/855596493.db2.gz GLBRPLATASYROQ-ZDUSSCGKSA-N 2 2 274.430 0.743 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC1([NH2+]CCO)CCCCC1 ZINC001115567152 855679080 /nfs/dbraw/zinc/67/90/80/855679080.db2.gz RKWPPJMBLAXRFB-UHFFFAOYSA-N 2 2 294.399 0.743 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC1([NH2+]CCO)CCCCC1 ZINC001115567152 855679082 /nfs/dbraw/zinc/67/90/82/855679082.db2.gz RKWPPJMBLAXRFB-UHFFFAOYSA-N 2 2 294.399 0.743 20 0 CCADLP C[C@@H]1C[NH+](CCCNc2cc(N)[nH+]cn2)C[C@@H](C)O1 ZINC001115989787 855708733 /nfs/dbraw/zinc/70/87/33/855708733.db2.gz YXNRQOAKUGIZQE-GHMZBOCLSA-N 2 2 265.361 0.970 20 0 CCADLP COCCOC[C@H]1CC[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC001118198806 856197708 /nfs/dbraw/zinc/19/77/08/856197708.db2.gz SPQKGPHNAPFQBB-NSHDSACASA-N 2 2 298.387 0.748 20 0 CCADLP COCCOC[C@H]1CC[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC001118198806 856197713 /nfs/dbraw/zinc/19/77/13/856197713.db2.gz SPQKGPHNAPFQBB-NSHDSACASA-N 2 2 298.387 0.748 20 0 CCADLP Cn1c[nH+]cc1CCN1CC[NH+]([C@H]2CCOC2)CC1 ZINC001118562063 856342650 /nfs/dbraw/zinc/34/26/50/856342650.db2.gz BDLRMUWDOCGCRC-AWEZNQCLSA-N 2 2 264.373 0.369 20 0 CCADLP C[NH+]1CCC2(CC1)C[N@H+](CCc1c[nH]nn1)CCO2 ZINC001118562525 856342985 /nfs/dbraw/zinc/34/29/85/856342985.db2.gz ZITKGTBFTIEVRZ-UHFFFAOYSA-N 2 2 265.361 0.144 20 0 CCADLP O=C([C@@H]1[NH2+]C[C@@H]2C[C@@H]21)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001119067850 856548917 /nfs/dbraw/zinc/54/89/17/856548917.db2.gz PLMSPNHCWBWXKC-NOOOWODRSA-N 2 2 260.341 0.724 20 0 CCADLP CN(C)C(=O)OCC[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC001119874550 856901485 /nfs/dbraw/zinc/90/14/85/856901485.db2.gz JNADGLDVWXKVGN-WCQYABFASA-N 2 2 255.362 0.568 20 0 CCADLP CN(C)C(=O)OCC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC001119874550 856901489 /nfs/dbraw/zinc/90/14/89/856901489.db2.gz JNADGLDVWXKVGN-WCQYABFASA-N 2 2 255.362 0.568 20 0 CCADLP CN(C)C(=O)OCC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC001119874550 856901493 /nfs/dbraw/zinc/90/14/93/856901493.db2.gz JNADGLDVWXKVGN-WCQYABFASA-N 2 2 255.362 0.568 20 0 CCADLP CN(C)C(=O)OCC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC001119874550 856901500 /nfs/dbraw/zinc/90/15/00/856901500.db2.gz JNADGLDVWXKVGN-WCQYABFASA-N 2 2 255.362 0.568 20 0 CCADLP CON(C)C(=O)CC[NH2+]C[C@@H](CC(C)C)[NH+](C)C ZINC001120480251 857085410 /nfs/dbraw/zinc/08/54/10/857085410.db2.gz OJHLGEMWVCWPPQ-GFCCVEGCSA-N 2 2 259.394 0.962 20 0 CCADLP COC[C@@H](C)[NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001393472244 912592558 /nfs/dbraw/zinc/59/25/58/912592558.db2.gz GMNIDIPPANGJOP-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cc(CO)on1 ZINC001324023385 912632228 /nfs/dbraw/zinc/63/22/28/912632228.db2.gz KXXYZBJLYDRORC-SECBINFHSA-N 2 2 250.302 0.794 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H](C)C1 ZINC001324089193 912663199 /nfs/dbraw/zinc/66/31/99/912663199.db2.gz NGEQQERDDURGJG-STQMWFEESA-N 2 2 294.399 0.578 20 0 CCADLP C[C@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[N@@H+]1CCO ZINC001393788556 912757775 /nfs/dbraw/zinc/75/77/75/912757775.db2.gz PALWLNSWGJKTII-QWHCGFSZSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[N@H+]1CCO ZINC001393788556 912757794 /nfs/dbraw/zinc/75/77/94/912757794.db2.gz PALWLNSWGJKTII-QWHCGFSZSA-N 2 2 294.399 0.314 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CC(=O)NC ZINC001394067246 912968552 /nfs/dbraw/zinc/96/85/52/912968552.db2.gz ORZVIZZQPLXFOT-CHWSQXEVSA-N 2 2 298.431 0.043 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CC(=O)NC ZINC001394067246 912968559 /nfs/dbraw/zinc/96/85/59/912968559.db2.gz ORZVIZZQPLXFOT-CHWSQXEVSA-N 2 2 298.431 0.043 20 0 CCADLP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC ZINC001394067246 912968579 /nfs/dbraw/zinc/96/85/79/912968579.db2.gz ORZVIZZQPLXFOT-CHWSQXEVSA-N 2 2 298.431 0.043 20 0 CCADLP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC ZINC001394067246 912968599 /nfs/dbraw/zinc/96/85/99/912968599.db2.gz ORZVIZZQPLXFOT-CHWSQXEVSA-N 2 2 298.431 0.043 20 0 CCADLP COC[C@H](C)[NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001394443918 913176268 /nfs/dbraw/zinc/17/62/68/913176268.db2.gz PZEQNDBUDZJGRD-WCQYABFASA-N 2 2 294.399 0.814 20 0 CCADLP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+][C@@H](C)c1csnn1 ZINC001394523370 913238968 /nfs/dbraw/zinc/23/89/68/913238968.db2.gz VCGTZLCSXVHSCV-MNOVXSKESA-N 2 2 299.444 0.987 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001480885921 891576867 /nfs/dbraw/zinc/57/68/67/891576867.db2.gz ZXYLVDCBZIBATH-STQMWFEESA-N 2 2 294.399 0.528 20 0 CCADLP Cc1noc(C[NH2+]CCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001481231510 892402614 /nfs/dbraw/zinc/40/26/14/892402614.db2.gz DHSCABNHKLWQPF-ZYHUDNBSSA-N 2 2 295.387 0.266 20 0 CCADLP Cc1noc(C[NH2+]CCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001481231510 892402621 /nfs/dbraw/zinc/40/26/21/892402621.db2.gz DHSCABNHKLWQPF-ZYHUDNBSSA-N 2 2 295.387 0.266 20 0 CCADLP CCc1nnc(C[NH2+]CCN(C)C(=O)C[N@H+](C)C(C)C)o1 ZINC001481320039 892577094 /nfs/dbraw/zinc/57/70/94/892577094.db2.gz UGTBZMWRPNVPHD-UHFFFAOYSA-N 2 2 297.403 0.520 20 0 CCADLP CCc1nnc(C[NH2+]CCN(C)C(=O)C[N@@H+](C)C(C)C)o1 ZINC001481320039 892577103 /nfs/dbraw/zinc/57/71/03/892577103.db2.gz UGTBZMWRPNVPHD-UHFFFAOYSA-N 2 2 297.403 0.520 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@](C)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001481944808 893283219 /nfs/dbraw/zinc/28/32/19/893283219.db2.gz UWDHLQSZQHOQIQ-ABAIWWIYSA-N 2 2 294.399 0.862 20 0 CCADLP CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001482110679 893401406 /nfs/dbraw/zinc/40/14/06/893401406.db2.gz SSYUZAIOFWWXLZ-HBNTYKKESA-N 2 2 250.346 0.875 20 0 CCADLP CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001482110679 893401417 /nfs/dbraw/zinc/40/14/17/893401417.db2.gz SSYUZAIOFWWXLZ-HBNTYKKESA-N 2 2 250.346 0.875 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001482124795 893413355 /nfs/dbraw/zinc/41/33/55/893413355.db2.gz BSOPZWUNHMCXSI-VXGBXAGGSA-N 2 2 282.388 0.075 20 0 CCADLP Cc1nocc1C[NH2+]C[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001482145694 893435982 /nfs/dbraw/zinc/43/59/82/893435982.db2.gz SYLKGEKTSMEJDB-JTQLQIEISA-N 2 2 291.355 0.791 20 0 CCADLP CCC[NH2+]C[C@H](O)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001284446873 893564127 /nfs/dbraw/zinc/56/41/27/893564127.db2.gz PZGCXVUPXCSNMY-STQMWFEESA-N 2 2 282.388 0.653 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N(C)CC[N@H+](C)CCCO)c[nH+]1 ZINC001496727103 894164354 /nfs/dbraw/zinc/16/43/54/894164354.db2.gz YUYRNULYYZIYCZ-UHFFFAOYSA-N 2 2 296.415 0.699 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N(C)CC[N@@H+](C)CCCO)c[nH+]1 ZINC001496727103 894164360 /nfs/dbraw/zinc/16/43/60/894164360.db2.gz YUYRNULYYZIYCZ-UHFFFAOYSA-N 2 2 296.415 0.699 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H](O)C[NH2+]CC1CCCCC1 ZINC001482798399 894608463 /nfs/dbraw/zinc/60/84/63/894608463.db2.gz CXLJXFUJQXEEAJ-AWEZNQCLSA-N 2 2 294.399 0.530 20 0 CCADLP COCC[NH2+]CC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001482903770 894680401 /nfs/dbraw/zinc/68/04/01/894680401.db2.gz ANOGNGMAXYIMPC-LLVKDONJSA-N 2 2 254.334 0.014 20 0 CCADLP CC(C)=CC[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001483199325 895085532 /nfs/dbraw/zinc/08/55/32/895085532.db2.gz CHBUYPXBYHPSMG-GFCCVEGCSA-N 2 2 250.346 0.944 20 0 CCADLP COCC[NH2+]C[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001483227887 895143272 /nfs/dbraw/zinc/14/32/72/895143272.db2.gz XQRJACBVUBXZCE-NSHDSACASA-N 2 2 290.367 0.997 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cnon1 ZINC001409475288 895196681 /nfs/dbraw/zinc/19/66/81/895196681.db2.gz RRHNZZBNOOYBNM-NXEZZACHSA-N 2 2 292.343 0.258 20 0 CCADLP C[C@H](C(=O)N1CCCO[C@H](C[NH3+])C1)n1cc[nH+]c1 ZINC001326421232 913946417 /nfs/dbraw/zinc/94/64/17/913946417.db2.gz ONCKSGODUFXNSQ-GHMZBOCLSA-N 2 2 252.318 0.020 20 0 CCADLP CC[NH+](CC)C[C@H](F)C(=O)NC1(CCO)C[NH+](CC)C1 ZINC001409699439 895336165 /nfs/dbraw/zinc/33/61/65/895336165.db2.gz FCMGEGVLGDXJSV-LBPRGKRZSA-N 2 2 289.395 0.239 20 0 CCADLP CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001483354939 895492922 /nfs/dbraw/zinc/49/29/22/895492922.db2.gz DLWBPWZZSJGNBA-NEPJUHHUSA-N 2 2 264.373 0.902 20 0 CCADLP CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001483354939 895492932 /nfs/dbraw/zinc/49/29/32/895492932.db2.gz DLWBPWZZSJGNBA-NEPJUHHUSA-N 2 2 264.373 0.902 20 0 CCADLP C[C@@H](C[N@H+](C)C[C@@H]1CCCCO1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001483391134 895529047 /nfs/dbraw/zinc/52/90/47/895529047.db2.gz NNZVKYCIMJXNFL-JSGCOSHPSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@@H](C[N@@H+](C)C[C@@H]1CCCCO1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001483391134 895529052 /nfs/dbraw/zinc/52/90/52/895529052.db2.gz NNZVKYCIMJXNFL-JSGCOSHPSA-N 2 2 294.399 0.958 20 0 CCADLP COCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001483442584 895571038 /nfs/dbraw/zinc/57/10/38/895571038.db2.gz MXZKRJNIFXSFKX-TZMCWYRMSA-N 2 2 294.399 0.863 20 0 CCADLP CCC[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001483958242 896131239 /nfs/dbraw/zinc/13/12/39/896131239.db2.gz PDVSTKYKTFTTSP-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CCCO ZINC001484999165 896704550 /nfs/dbraw/zinc/70/45/50/896704550.db2.gz GWYNTZZQXBRYRI-YNEHKIRRSA-N 2 2 294.399 0.390 20 0 CCADLP COC[C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001485266310 896891248 /nfs/dbraw/zinc/89/12/48/896891248.db2.gz YJLCZISGOSXGKZ-ZDUSSCGKSA-N 2 2 296.415 0.992 20 0 CCADLP CC[N@H+](C)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001485379467 897006984 /nfs/dbraw/zinc/00/69/84/897006984.db2.gz MHUAXLODSUZUCN-LLVKDONJSA-N 2 2 252.362 0.809 20 0 CCADLP CC[N@@H+](C)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001485379467 897006989 /nfs/dbraw/zinc/00/69/89/897006989.db2.gz MHUAXLODSUZUCN-LLVKDONJSA-N 2 2 252.362 0.809 20 0 CCADLP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH2+]Cc1nc(C)no1 ZINC001366337781 897261401 /nfs/dbraw/zinc/26/14/01/897261401.db2.gz CGYDQCSFIVCKFM-SNVBAGLBSA-N 2 2 283.376 0.314 20 0 CCADLP CC[N@@H+](C)CCC(=O)NC[C@@H](C)[NH2+]Cc1nc(C)no1 ZINC001366337781 897261411 /nfs/dbraw/zinc/26/14/11/897261411.db2.gz CGYDQCSFIVCKFM-SNVBAGLBSA-N 2 2 283.376 0.314 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCF ZINC001032535062 897714236 /nfs/dbraw/zinc/71/42/36/897714236.db2.gz QVYBDONNUJOTCQ-STQMWFEESA-N 2 2 294.374 0.997 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCF ZINC001032535062 897714246 /nfs/dbraw/zinc/71/42/46/897714246.db2.gz QVYBDONNUJOTCQ-STQMWFEESA-N 2 2 294.374 0.997 20 0 CCADLP CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001048395493 897730022 /nfs/dbraw/zinc/73/00/22/897730022.db2.gz BTAZIKNBVHBFGI-MNOVXSKESA-N 2 2 250.346 0.656 20 0 CCADLP C[C@H](O)C[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCCCC1 ZINC001115790508 897841854 /nfs/dbraw/zinc/84/18/54/897841854.db2.gz SARCUSIPYCDLTK-LBPRGKRZSA-N 2 2 294.399 0.742 20 0 CCADLP Cc1noc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C)n1 ZINC001486086305 898646957 /nfs/dbraw/zinc/64/69/57/898646957.db2.gz VWZVWCXTFSJXQO-ZYHUDNBSSA-N 2 2 295.387 0.409 20 0 CCADLP CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]CCCO ZINC001486250229 898725595 /nfs/dbraw/zinc/72/55/95/898725595.db2.gz PHTDFADSSRHQBZ-GFCCVEGCSA-N 2 2 280.372 0.092 20 0 CCADLP CC[C@@H](C(=O)NCC1C[NH+]([C@H](C)C(N)=O)C1)[NH+](CC)CC ZINC001494591736 899152758 /nfs/dbraw/zinc/15/27/58/899152758.db2.gz IYZMJILDJZMIAW-YPMHNXCESA-N 2 2 298.431 0.029 20 0 CCADLP C[N@H+](CCCO)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001410256425 899305366 /nfs/dbraw/zinc/30/53/66/899305366.db2.gz VWRQXCYFSDCRJI-UHFFFAOYSA-N 2 2 294.399 0.578 20 0 CCADLP C[N@@H+](CCCO)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001410256425 899305383 /nfs/dbraw/zinc/30/53/83/899305383.db2.gz VWRQXCYFSDCRJI-UHFFFAOYSA-N 2 2 294.399 0.578 20 0 CCADLP Cc1noc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001410491289 899438239 /nfs/dbraw/zinc/43/82/39/899438239.db2.gz KKFHTGHPTWKFIN-CMPLNLGQSA-N 2 2 295.387 0.266 20 0 CCADLP Cc1noc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001410491289 899438243 /nfs/dbraw/zinc/43/82/43/899438243.db2.gz KKFHTGHPTWKFIN-CMPLNLGQSA-N 2 2 295.387 0.266 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1C[C@@H]([NH2+]CC2CC2)C1 ZINC001488773978 900372377 /nfs/dbraw/zinc/37/23/77/900372377.db2.gz FAMNVQIBGORPFO-TXEJJXNPSA-N 2 2 262.357 0.847 20 0 CCADLP COCCC[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001490454493 900644427 /nfs/dbraw/zinc/64/44/27/900644427.db2.gz HAIKGNNEJJBVCT-CYBMUJFWSA-N 2 2 294.399 0.580 20 0 CCADLP COCCC[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001490454493 900644433 /nfs/dbraw/zinc/64/44/33/900644433.db2.gz HAIKGNNEJJBVCT-CYBMUJFWSA-N 2 2 294.399 0.580 20 0 CCADLP COCC[NH2+][C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001490711786 900697401 /nfs/dbraw/zinc/69/74/01/900697401.db2.gz XJNKNGQFLJUJTF-LBPRGKRZSA-N 2 2 266.345 0.083 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]([NH2+]C[C@@H]1CCOC1)C1CC1 ZINC001490721568 900701140 /nfs/dbraw/zinc/70/11/40/900701140.db2.gz DLPONWKAUQEZQK-AAEUAGOBSA-N 2 2 292.383 0.473 20 0 CCADLP CC[N@@H+]1CC[C@H]1C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC001412265902 901609779 /nfs/dbraw/zinc/60/97/79/901609779.db2.gz CPCOUMBSZVJDCB-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP CC[N@H+]1CC[C@H]1C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC001412265902 901609787 /nfs/dbraw/zinc/60/97/87/901609787.db2.gz CPCOUMBSZVJDCB-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@@]([NH2+]C[C@H]1CCC[NH2+]C1)(C(N)=O)c1ccccc1 ZINC001327538042 914602180 /nfs/dbraw/zinc/60/21/80/914602180.db2.gz NZEVUPFTGICOBK-WFASDCNBSA-N 2 2 261.369 0.976 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(Cc2nn[nH]n2)CC1 ZINC001413048262 902566258 /nfs/dbraw/zinc/56/62/58/902566258.db2.gz NWYWFIYHLRMZIN-CYBMUJFWSA-N 2 2 296.419 0.155 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(Cc2nn[nH]n2)CC1 ZINC001413048262 902566261 /nfs/dbraw/zinc/56/62/61/902566261.db2.gz NWYWFIYHLRMZIN-CYBMUJFWSA-N 2 2 296.419 0.155 20 0 CCADLP Cn1cc(CC[NH+]2CCC(c3c[nH+]cn3C)CC2)nn1 ZINC001413101603 902706279 /nfs/dbraw/zinc/70/62/79/902706279.db2.gz WEMBAFLMRDZIPC-UHFFFAOYSA-N 2 2 274.372 0.971 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@]2(CO)COC[C@@H]3CCCN32)CC[N@@H+]1C ZINC001413276670 902840130 /nfs/dbraw/zinc/84/01/30/902840130.db2.gz MNFCNMAEWZIGFC-LVQVYYBASA-N 2 2 297.443 0.284 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@]2(CO)COC[C@@H]3CCCN32)CC[N@H+]1C ZINC001413276670 902840141 /nfs/dbraw/zinc/84/01/41/902840141.db2.gz MNFCNMAEWZIGFC-LVQVYYBASA-N 2 2 297.443 0.284 20 0 CCADLP C[C@@H]1C[C@H](NC[C@@]2(CO)COC[C@@H]3CCC[NH+]32)CC[N@@H+]1C ZINC001413276670 902840147 /nfs/dbraw/zinc/84/01/47/902840147.db2.gz MNFCNMAEWZIGFC-LVQVYYBASA-N 2 2 297.443 0.284 20 0 CCADLP C[C@@H]1C[C@H](NC[C@@]2(CO)COC[C@@H]3CCC[NH+]32)CC[N@H+]1C ZINC001413276670 902840150 /nfs/dbraw/zinc/84/01/50/902840150.db2.gz MNFCNMAEWZIGFC-LVQVYYBASA-N 2 2 297.443 0.284 20 0 CCADLP C[C@@H]1C[C@H](NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)CC[NH+]1C ZINC001413276670 902840160 /nfs/dbraw/zinc/84/01/60/902840160.db2.gz MNFCNMAEWZIGFC-LVQVYYBASA-N 2 2 297.443 0.284 20 0 CCADLP C[C@@H]1C[C@H](NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)CC[NH+]1C ZINC001413276670 902840167 /nfs/dbraw/zinc/84/01/67/902840167.db2.gz MNFCNMAEWZIGFC-LVQVYYBASA-N 2 2 297.443 0.284 20 0 CCADLP COCCC[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001490935024 903264140 /nfs/dbraw/zinc/26/41/40/903264140.db2.gz ZYUMYVSBBHBHHC-XYPYZODXSA-N 2 2 266.345 0.226 20 0 CCADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]CCn1cccn1 ZINC001491476182 903615012 /nfs/dbraw/zinc/61/50/12/903615012.db2.gz BZSHYNZQODOVIR-LBPRGKRZSA-N 2 2 290.371 0.333 20 0 CCADLP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]CCn1cccn1 ZINC001491476182 903615020 /nfs/dbraw/zinc/61/50/20/903615020.db2.gz BZSHYNZQODOVIR-LBPRGKRZSA-N 2 2 290.371 0.333 20 0 CCADLP CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCO1 ZINC001280648662 904132968 /nfs/dbraw/zinc/13/29/68/904132968.db2.gz NFSZDDWIZVZHHC-GXTWGEPZSA-N 2 2 294.399 0.815 20 0 CCADLP CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCO1 ZINC001280648662 904132971 /nfs/dbraw/zinc/13/29/71/904132971.db2.gz NFSZDDWIZVZHHC-GXTWGEPZSA-N 2 2 294.399 0.815 20 0 CCADLP COCCC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001281427622 904281421 /nfs/dbraw/zinc/28/14/21/904281421.db2.gz DBAPJUCFGVIZKT-UONOGXRCSA-N 2 2 294.399 0.746 20 0 CCADLP COCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001282401525 904470823 /nfs/dbraw/zinc/47/08/23/904470823.db2.gz IISDWEPVNKVIKQ-YNEHKIRRSA-N 2 2 294.399 0.986 20 0 CCADLP COCCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001282401525 904470828 /nfs/dbraw/zinc/47/08/28/904470828.db2.gz IISDWEPVNKVIKQ-YNEHKIRRSA-N 2 2 294.399 0.986 20 0 CCADLP COCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001282401525 904470834 /nfs/dbraw/zinc/47/08/34/904470834.db2.gz IISDWEPVNKVIKQ-YNEHKIRRSA-N 2 2 294.399 0.986 20 0 CCADLP COCCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001282401525 904470840 /nfs/dbraw/zinc/47/08/40/904470840.db2.gz IISDWEPVNKVIKQ-YNEHKIRRSA-N 2 2 294.399 0.986 20 0 CCADLP COCC[N@H+](C)[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001282477324 904488036 /nfs/dbraw/zinc/48/80/36/904488036.db2.gz IFSJVIBDDHUIKQ-NSHDSACASA-N 2 2 268.361 0.046 20 0 CCADLP COCC[N@@H+](C)[C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001282477324 904488043 /nfs/dbraw/zinc/48/80/43/904488043.db2.gz IFSJVIBDDHUIKQ-NSHDSACASA-N 2 2 268.361 0.046 20 0 CCADLP C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1[NH2+]Cc1cnsn1 ZINC001377284838 904751736 /nfs/dbraw/zinc/75/17/36/904751736.db2.gz YNGVJHWOIUTOGM-PWSUYJOCSA-N 2 2 297.428 0.426 20 0 CCADLP COCC[N@@H+]1CC[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001377456563 904907095 /nfs/dbraw/zinc/90/70/95/904907095.db2.gz AZUKYMCLWVPBIW-GFCCVEGCSA-N 2 2 280.372 0.345 20 0 CCADLP COCC[N@H+]1CC[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001377456563 904907099 /nfs/dbraw/zinc/90/70/99/904907099.db2.gz AZUKYMCLWVPBIW-GFCCVEGCSA-N 2 2 280.372 0.345 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001377638422 905058318 /nfs/dbraw/zinc/05/83/18/905058318.db2.gz RMNHDZBIWRPUBF-OKILXGFUSA-N 2 2 292.383 0.331 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001377638422 905058337 /nfs/dbraw/zinc/05/83/37/905058337.db2.gz RMNHDZBIWRPUBF-OKILXGFUSA-N 2 2 292.383 0.331 20 0 CCADLP COC[C@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001377682945 905097695 /nfs/dbraw/zinc/09/76/95/905097695.db2.gz GVMMRVLMWDIXPU-QWHCGFSZSA-N 2 2 294.399 0.910 20 0 CCADLP COC[C@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001377682945 905097715 /nfs/dbraw/zinc/09/77/15/905097715.db2.gz GVMMRVLMWDIXPU-QWHCGFSZSA-N 2 2 294.399 0.910 20 0 CCADLP CCOCC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001284017101 905116770 /nfs/dbraw/zinc/11/67/70/905116770.db2.gz LRDQNWPJNVVJJI-NEPJUHHUSA-N 2 2 280.372 0.568 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1CC([NH2+]CCCO)C1 ZINC001284799330 905437631 /nfs/dbraw/zinc/43/76/31/905437631.db2.gz GXVNKIZJUBBDAU-DCBWTQNWSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1CC([NH2+]CCCO)C1 ZINC001284799330 905437639 /nfs/dbraw/zinc/43/76/39/905437639.db2.gz GXVNKIZJUBBDAU-DCBWTQNWSA-N 2 2 294.399 0.550 20 0 CCADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CC([NH2+]CCCO)C1 ZINC001284815788 905438146 /nfs/dbraw/zinc/43/81/46/905438146.db2.gz LYVXTKSCYYYYLN-UHFFFAOYSA-N 2 2 294.399 0.649 20 0 CCADLP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1nnc(C)o1 ZINC001378347928 905604455 /nfs/dbraw/zinc/60/44/55/905604455.db2.gz WWXDKBGHBBPWMO-VXGBXAGGSA-N 2 2 295.387 0.314 20 0 CCADLP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1nnc(C)o1 ZINC001378347928 905604463 /nfs/dbraw/zinc/60/44/63/905604463.db2.gz WWXDKBGHBBPWMO-VXGBXAGGSA-N 2 2 295.387 0.314 20 0 CCADLP COCC[NH+]1CC([C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001378592964 905700213 /nfs/dbraw/zinc/70/02/13/905700213.db2.gz OZPMQKBVOIHUDH-SNVBAGLBSA-N 2 2 280.372 0.344 20 0 CCADLP CC(C)[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]C[C@H](C)O ZINC001378981544 905911453 /nfs/dbraw/zinc/91/14/53/905911453.db2.gz VKFWGMVOUSUIFA-QWHCGFSZSA-N 2 2 282.388 0.384 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@H](O)C[NH2+]CC1CCCC1 ZINC001379212375 906066433 /nfs/dbraw/zinc/06/64/33/906066433.db2.gz BSUDAGCHOSIJQE-CQSZACIVSA-N 2 2 294.399 0.530 20 0 CCADLP Cc1noc(C[NH2+]C[C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)n1 ZINC001379424835 906232979 /nfs/dbraw/zinc/23/29/79/906232979.db2.gz WFDJDIUAIGBSGO-WDEREUQCSA-N 2 2 295.387 0.314 20 0 CCADLP Cc1noc(C[NH2+]C[C@@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)n1 ZINC001379424835 906232997 /nfs/dbraw/zinc/23/29/97/906232997.db2.gz WFDJDIUAIGBSGO-WDEREUQCSA-N 2 2 295.387 0.314 20 0 CCADLP C[C@H](C[NH2+]C[C@H]1CCCOC1)NC(=O)Cc1c[nH+]cn1C ZINC001379449330 906248969 /nfs/dbraw/zinc/24/89/69/906248969.db2.gz KWGAHYPNABVRIP-CHWSQXEVSA-N 2 2 294.399 0.484 20 0 CCADLP C[C@H](C[N@H+](C)CCCO)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001379700983 906438506 /nfs/dbraw/zinc/43/85/06/906438506.db2.gz UOCRAMADRLPGDY-OLZOCXBDSA-N 2 2 294.399 0.264 20 0 CCADLP C[C@H](C[N@@H+](C)CCCO)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001379700983 906438516 /nfs/dbraw/zinc/43/85/16/906438516.db2.gz UOCRAMADRLPGDY-OLZOCXBDSA-N 2 2 294.399 0.264 20 0 CCADLP CC(C)[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001379799311 906485537 /nfs/dbraw/zinc/48/55/37/906485537.db2.gz IWSTWQOLSSJZER-OCCSQVGLSA-N 2 2 294.399 0.263 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H](C[NH2+]C[C@@H]1CCOC1)C1CC1 ZINC001379906333 906530203 /nfs/dbraw/zinc/53/02/03/906530203.db2.gz QXDHAOOPZYUCLA-SMDDNHRTSA-N 2 2 292.383 0.473 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)CCc1[nH+]ccn1C ZINC001380280669 906713222 /nfs/dbraw/zinc/71/32/22/906713222.db2.gz QVPRDNSAOYURFU-OLZOCXBDSA-N 2 2 294.399 0.314 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@]1(O)CC[N@H+](CC2CC2)C1 ZINC001380553058 906816676 /nfs/dbraw/zinc/81/66/76/906816676.db2.gz LOGNANAKOBTGNE-OAHLLOKOSA-N 2 2 292.383 0.236 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001380553058 906816686 /nfs/dbraw/zinc/81/66/86/906816686.db2.gz LOGNANAKOBTGNE-OAHLLOKOSA-N 2 2 292.383 0.236 20 0 CCADLP CN(CCC[N@H+](C)Cc1ncccn1)C(=O)CC[NH+](C)C ZINC001380969736 907019568 /nfs/dbraw/zinc/01/95/68/907019568.db2.gz KSVXHZGSLJXCMB-UHFFFAOYSA-N 2 2 293.415 0.709 20 0 CCADLP CN(CCC[N@@H+](C)Cc1ncccn1)C(=O)CC[NH+](C)C ZINC001380969736 907019587 /nfs/dbraw/zinc/01/95/87/907019587.db2.gz KSVXHZGSLJXCMB-UHFFFAOYSA-N 2 2 293.415 0.709 20 0 CCADLP C[C@H](C(=O)NCC[NH+]1CCC(O)CC1)n1cc[nH+]c1 ZINC001298013649 907141667 /nfs/dbraw/zinc/14/16/67/907141667.db2.gz QZJOMYXPAIUYAH-LLVKDONJSA-N 2 2 266.345 0.017 20 0 CCADLP C[C@@H](CNc1cc[nH+]c(N)n1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001337919215 921302855 /nfs/dbraw/zinc/30/28/55/921302855.db2.gz XCASDRNRFHSCHB-GARJFASQSA-N 2 2 265.361 0.968 20 0 CCADLP C[C@@H](CNc1cc[nH+]c(N)n1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001337919215 921302857 /nfs/dbraw/zinc/30/28/57/921302857.db2.gz XCASDRNRFHSCHB-GARJFASQSA-N 2 2 265.361 0.968 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC001381445832 907209665 /nfs/dbraw/zinc/20/96/65/907209665.db2.gz UOAODKOTSCYJPL-MNOVXSKESA-N 2 2 296.419 0.438 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1nnc(C)[nH]1 ZINC001381445832 907209682 /nfs/dbraw/zinc/20/96/82/907209682.db2.gz UOAODKOTSCYJPL-MNOVXSKESA-N 2 2 296.419 0.438 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC001337930227 921303716 /nfs/dbraw/zinc/30/37/16/921303716.db2.gz RLDWARDNDPVREB-MNOVXSKESA-N 2 2 265.361 0.532 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+](C)Cc1ccn(C)n1 ZINC001381616057 907332186 /nfs/dbraw/zinc/33/21/86/907332186.db2.gz DNGVFMJAMBWENB-STQMWFEESA-N 2 2 293.415 0.308 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH+](C)Cc1ccn(C)n1 ZINC001381616057 907332203 /nfs/dbraw/zinc/33/22/03/907332203.db2.gz DNGVFMJAMBWENB-STQMWFEESA-N 2 2 293.415 0.308 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@H+](C)Cc1ccn(C)n1 ZINC001381616057 907332222 /nfs/dbraw/zinc/33/22/22/907332222.db2.gz DNGVFMJAMBWENB-STQMWFEESA-N 2 2 293.415 0.308 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)C1)[N@@H+](C)Cc1ccn(C)n1 ZINC001381616057 907332240 /nfs/dbraw/zinc/33/22/40/907332240.db2.gz DNGVFMJAMBWENB-STQMWFEESA-N 2 2 293.415 0.308 20 0 CCADLP C[C@@H](O)CCC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001491839506 907599853 /nfs/dbraw/zinc/59/98/53/907599853.db2.gz XBKAWCOHRFAHRU-CHWSQXEVSA-N 2 2 294.399 0.551 20 0 CCADLP COC[C@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001491966689 907651535 /nfs/dbraw/zinc/65/15/35/907651535.db2.gz HIKYUTOSKXZJKW-UONOGXRCSA-N 2 2 294.399 0.841 20 0 CCADLP COC[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001491966689 907651544 /nfs/dbraw/zinc/65/15/44/907651544.db2.gz HIKYUTOSKXZJKW-UONOGXRCSA-N 2 2 294.399 0.841 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001302665450 908032731 /nfs/dbraw/zinc/03/27/31/908032731.db2.gz RSOBPHBIBCXKKD-SNVBAGLBSA-N 2 2 254.309 0.470 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)CC[N@H+]1CC[C@@H](F)C1 ZINC001302665450 908032748 /nfs/dbraw/zinc/03/27/48/908032748.db2.gz RSOBPHBIBCXKKD-SNVBAGLBSA-N 2 2 254.309 0.470 20 0 CCADLP [NH3+][C@H](CC(=O)N1CCC2(CC[NH2+]C2)CC1)C(F)F ZINC001340298405 908516640 /nfs/dbraw/zinc/51/66/40/908516640.db2.gz AQNJEZXXLQTSOE-SECBINFHSA-N 2 2 261.316 0.571 20 0 CCADLP C[C@@H](O)C[NH2+]CCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001317609693 909405275 /nfs/dbraw/zinc/40/52/75/909405275.db2.gz BLHLEZIGNJIJOV-LLVKDONJSA-N 2 2 276.340 0.377 20 0 CCADLP Cc1nc(C[NH2+]CCN(C)C(=O)Cn2cc[nH+]c2C)co1 ZINC001317660430 909456539 /nfs/dbraw/zinc/45/65/39/909456539.db2.gz CVFNJIOVNIEIPU-UHFFFAOYSA-N 2 2 291.355 0.736 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001389475425 909922960 /nfs/dbraw/zinc/92/29/60/909922960.db2.gz ARJKRFCIEGZTPF-CHWSQXEVSA-N 2 2 280.372 0.499 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001389475425 909922971 /nfs/dbraw/zinc/92/29/71/909922971.db2.gz ARJKRFCIEGZTPF-CHWSQXEVSA-N 2 2 280.372 0.499 20 0 CCADLP NC(=O)N1CCC([NH2+][C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC001319206683 910035800 /nfs/dbraw/zinc/03/58/00/910035800.db2.gz HKWIGROSVMKCKX-ZDUSSCGKSA-N 2 2 266.389 0.603 20 0 CCADLP NC(=O)N1CCC([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001319206683 910035815 /nfs/dbraw/zinc/03/58/15/910035815.db2.gz HKWIGROSVMKCKX-ZDUSSCGKSA-N 2 2 266.389 0.603 20 0 CCADLP COCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001319210274 910040401 /nfs/dbraw/zinc/04/04/01/910040401.db2.gz VITNPLVZGCPURR-OLZOCXBDSA-N 2 2 294.399 0.434 20 0 CCADLP C[C@@H]([NH2+]CCCO)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001319820344 910309249 /nfs/dbraw/zinc/30/92/49/910309249.db2.gz NHUNXTDIPAOCNA-OLZOCXBDSA-N 2 2 294.399 0.551 20 0 CCADLP COCC[NH2+][C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001319958835 910374814 /nfs/dbraw/zinc/37/48/14/910374814.db2.gz ZAAZSHCWQRJYKO-ZDUSSCGKSA-N 2 2 282.388 0.637 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)C[NH2+]C/C=C/Cl ZINC001320301794 910592776 /nfs/dbraw/zinc/59/27/76/910592776.db2.gz VWZLQYORYGBMOW-PBKGFPTLSA-N 2 2 286.763 0.080 20 0 CCADLP Cc1ncc(C[N@H+](C)CCNC(=O)C2CC[NH+](C)CC2)o1 ZINC001390811834 910699021 /nfs/dbraw/zinc/69/90/21/910699021.db2.gz MSPGWFLCRNDJGX-UHFFFAOYSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1ncc(C[N@@H+](C)CCNC(=O)C2CC[NH+](C)CC2)o1 ZINC001390811834 910699028 /nfs/dbraw/zinc/69/90/28/910699028.db2.gz MSPGWFLCRNDJGX-UHFFFAOYSA-N 2 2 294.399 0.873 20 0 CCADLP CNC(=O)C[NH2+]CC[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001320563745 910744639 /nfs/dbraw/zinc/74/46/39/910744639.db2.gz PFOMCKIUSAMNIP-NWDGAFQWSA-N 2 2 295.387 0.065 20 0 CCADLP CCN(CC[NH2+]CCO)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001320735461 910830367 /nfs/dbraw/zinc/83/03/67/910830367.db2.gz YWSIIKFLNKPVSB-UHFFFAOYSA-N 2 2 290.367 0.687 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NC[C@@H]1CCC[N@H+]1CCCO ZINC001391070664 910849229 /nfs/dbraw/zinc/84/92/29/910849229.db2.gz WXZOSPSFEHMQHL-AWEZNQCLSA-N 2 2 294.399 0.626 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+]1CCCO ZINC001391070664 910849240 /nfs/dbraw/zinc/84/92/40/910849240.db2.gz WXZOSPSFEHMQHL-AWEZNQCLSA-N 2 2 294.399 0.626 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC1C[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001391463179 911152172 /nfs/dbraw/zinc/15/21/72/911152172.db2.gz XIKJXUUCNPGGJP-AWEZNQCLSA-N 2 2 297.443 0.942 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC1C[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001391463179 911152187 /nfs/dbraw/zinc/15/21/87/911152187.db2.gz XIKJXUUCNPGGJP-AWEZNQCLSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@H](C[NH2+]CCc1ccns1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001321696586 911450617 /nfs/dbraw/zinc/45/06/17/911450617.db2.gz 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C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1cnns1 ZINC001399393342 915151230 /nfs/dbraw/zinc/15/12/30/915151230.db2.gz GORANAGDVUGVSI-VIFPVBQESA-N 2 2 294.384 0.488 20 0 CCADLP C[C@H](O)C[NH2+][C@@H](CNC(=O)CCc1c[nH+]cn1C)C1CC1 ZINC001418008251 921755457 /nfs/dbraw/zinc/75/54/57/921755457.db2.gz WDCMRYPEUMSXOW-FZMZJTMJSA-N 2 2 294.399 0.218 20 0 CCADLP [NH3+]Cc1nccnc1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC001339575414 921765570 /nfs/dbraw/zinc/76/55/70/921765570.db2.gz RDTUTKPQSPWSSW-NSHDSACASA-N 2 2 258.329 0.973 20 0 CCADLP O=C(NCC1=CC[NH2+]CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001328721015 915381404 /nfs/dbraw/zinc/38/14/04/915381404.db2.gz IYXDBDAUDMSUTJ-GFCCVEGCSA-N 2 2 260.341 0.481 20 0 CCADLP COC[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001400048489 915528382 /nfs/dbraw/zinc/52/83/82/915528382.db2.gz HNVQSLCXKVNBIO-QJPTWQEYSA-N 2 2 280.372 0.596 20 0 CCADLP COC[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001400048489 915528387 /nfs/dbraw/zinc/52/83/87/915528387.db2.gz 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2 294.399 0.871 20 0 CCADLP Cc1cc(C[NH+](C)C[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)no1 ZINC001401803187 916601221 /nfs/dbraw/zinc/60/12/21/916601221.db2.gz KJJAXFMGLFVNFR-AAEUAGOBSA-N 2 2 294.399 0.871 20 0 CCADLP Cc1cc(C[NH+](C)C[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)no1 ZINC001401803187 916601227 /nfs/dbraw/zinc/60/12/27/916601227.db2.gz KJJAXFMGLFVNFR-AAEUAGOBSA-N 2 2 294.399 0.871 20 0 CCADLP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1Cc1cccnc1 ZINC001401902948 916672857 /nfs/dbraw/zinc/67/28/57/916672857.db2.gz HPQZJVALEGFZJL-CQSZACIVSA-N 2 2 276.384 0.724 20 0 CCADLP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1Cc1cccnc1 ZINC001401902948 916672870 /nfs/dbraw/zinc/67/28/70/916672870.db2.gz HPQZJVALEGFZJL-CQSZACIVSA-N 2 2 276.384 0.724 20 0 CCADLP C[C@@H](C(=O)N[C@@H](CO)C[NH+]1CCCC1)n1cc[nH+]c1 ZINC001330737375 916826128 /nfs/dbraw/zinc/82/61/28/916826128.db2.gz CAQFMAVCBPIXOW-NWDGAFQWSA-N 2 2 266.345 0.017 20 0 CCADLP Cc1cc(C)c(CNC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)c[nH+]1 ZINC001331103202 917090793 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C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1ccon1 ZINC001402914538 917344450 /nfs/dbraw/zinc/34/44/50/917344450.db2.gz ZRELQBNVIIABMJ-DGCLKSJQSA-N 2 2 280.372 0.753 20 0 CCADLP C[N@H+](CCCO)C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001402938420 917363116 /nfs/dbraw/zinc/36/31/16/917363116.db2.gz UZEODUNHBSIJJO-CQSZACIVSA-N 2 2 294.399 0.648 20 0 CCADLP C[N@@H+](CCCO)C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001402938420 917363120 /nfs/dbraw/zinc/36/31/20/917363120.db2.gz UZEODUNHBSIJJO-CQSZACIVSA-N 2 2 294.399 0.648 20 0 CCADLP C[N@H+](CCCO)C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001402938420 917363135 /nfs/dbraw/zinc/36/31/35/917363135.db2.gz UZEODUNHBSIJJO-CQSZACIVSA-N 2 2 294.399 0.648 20 0 CCADLP C[N@@H+](CCCO)C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001402938420 917363155 /nfs/dbraw/zinc/36/31/55/917363155.db2.gz UZEODUNHBSIJJO-CQSZACIVSA-N 2 2 294.399 0.648 20 0 CCADLP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CC(C(N)=O)=NO2)CC1(C)C ZINC001331510655 917381899 /nfs/dbraw/zinc/38/18/99/917381899.db2.gz JOSGHQVSXCESMX-NXEZZACHSA-N 2 2 268.361 0.079 20 0 CCADLP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CC(C(N)=O)=NO2)CC1(C)C ZINC001331510655 917381915 /nfs/dbraw/zinc/38/19/15/917381915.db2.gz JOSGHQVSXCESMX-NXEZZACHSA-N 2 2 268.361 0.079 20 0 CCADLP C[C@@H]([NH2+]CCn1cccn1)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001403005396 917419892 /nfs/dbraw/zinc/41/98/92/917419892.db2.gz AUVJKSDTOPOZBE-NEPJUHHUSA-N 2 2 290.371 0.332 20 0 CCADLP C[C@@H]([NH2+]CC1CCOCC1)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001403045611 917444004 /nfs/dbraw/zinc/44/40/04/917444004.db2.gz RVFYSEOLRBPAFQ-NEPJUHHUSA-N 2 2 294.399 0.862 20 0 CCADLP Cc1noc(C[NH2+][C@H](C)CNC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001403087429 917466109 /nfs/dbraw/zinc/46/61/09/917466109.db2.gz SOSYXFPHIMQXCY-ZYHUDNBSSA-N 2 2 295.387 0.314 20 0 CCADLP Cc1noc(C[NH2+][C@H](C)CNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001403087429 917466115 /nfs/dbraw/zinc/46/61/15/917466115.db2.gz SOSYXFPHIMQXCY-ZYHUDNBSSA-N 2 2 295.387 0.314 20 0 CCADLP CC[C@@H](F)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001403431270 917710765 /nfs/dbraw/zinc/71/07/65/917710765.db2.gz XWLJZGZAJUXIIP-SYQHCUMBSA-N 2 2 294.374 0.925 20 0 CCADLP CC[C@@H](F)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001403431270 917710775 /nfs/dbraw/zinc/71/07/75/917710775.db2.gz XWLJZGZAJUXIIP-SYQHCUMBSA-N 2 2 294.374 0.925 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1C ZINC001331926170 917723087 /nfs/dbraw/zinc/72/30/87/917723087.db2.gz DODDBLBTRZDRGK-MNOVXSKESA-N 2 2 266.345 0.178 20 0 CCADLP Cn1c[nH+]cc1CC[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1 ZINC001331954109 917750173 /nfs/dbraw/zinc/75/01/73/917750173.db2.gz FDKOBAYBSYLJSB-AWEZNQCLSA-N 2 2 290.371 0.523 20 0 CCADLP CC[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C[C@H]1CC[C@@H](C)O1 ZINC001403929113 918132592 /nfs/dbraw/zinc/13/25/92/918132592.db2.gz ZWSIJWPTVRVSFB-TZMCWYRMSA-N 2 2 294.399 0.958 20 0 CCADLP CC[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C[C@H]1CC[C@@H](C)O1 ZINC001403929113 918132603 /nfs/dbraw/zinc/13/26/03/918132603.db2.gz ZWSIJWPTVRVSFB-TZMCWYRMSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@@]1(C[NH3+])CC[N@H+](C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001332423444 918145864 /nfs/dbraw/zinc/14/58/64/918145864.db2.gz BSVMUHNRRBNIBT-NEPJUHHUSA-N 2 2 260.403 0.482 20 0 CCADLP C[C@@]1(C[NH3+])CC[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001332423444 918145873 /nfs/dbraw/zinc/14/58/73/918145873.db2.gz BSVMUHNRRBNIBT-NEPJUHHUSA-N 2 2 260.403 0.482 20 0 CCADLP Cc1noc([C@H](C)[NH2+]CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001404345086 918321564 /nfs/dbraw/zinc/32/15/64/918321564.db2.gz SPRCYRDUQAKZAN-JQWIXIFHSA-N 2 2 295.387 0.439 20 0 CCADLP Cc1noc([C@H](C)[NH2+]CCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001404345086 918321573 /nfs/dbraw/zinc/32/15/73/918321573.db2.gz SPRCYRDUQAKZAN-JQWIXIFHSA-N 2 2 295.387 0.439 20 0 CCADLP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3CCN(C4CC4)C3=O)CC[C@H]21 ZINC001333052798 918621264 /nfs/dbraw/zinc/62/12/64/918621264.db2.gz DVZAKVZNTMBMCQ-BNOWGMLFSA-N 2 2 263.385 0.776 20 0 CCADLP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CCN(C4CC4)C3=O)CC[C@H]21 ZINC001333052798 918621272 /nfs/dbraw/zinc/62/12/72/918621272.db2.gz DVZAKVZNTMBMCQ-BNOWGMLFSA-N 2 2 263.385 0.776 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CCN(C4CC4)C3=O)CC[C@H]21 ZINC001333052798 918621283 /nfs/dbraw/zinc/62/12/83/918621283.db2.gz DVZAKVZNTMBMCQ-BNOWGMLFSA-N 2 2 263.385 0.776 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CCN(C4CC4)C3=O)CC[C@H]21 ZINC001333052798 918621294 /nfs/dbraw/zinc/62/12/94/918621294.db2.gz DVZAKVZNTMBMCQ-BNOWGMLFSA-N 2 2 263.385 0.776 20 0 CCADLP CCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](CCCO)C1 ZINC001405186929 918640444 /nfs/dbraw/zinc/64/04/44/918640444.db2.gz GOLILLJKVTUTOE-ZDUSSCGKSA-N 2 2 280.372 0.188 20 0 CCADLP CCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001405186929 918640463 /nfs/dbraw/zinc/64/04/63/918640463.db2.gz GOLILLJKVTUTOE-ZDUSSCGKSA-N 2 2 280.372 0.188 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC([NH+]2CCC2)CC1 ZINC001333408785 918877661 /nfs/dbraw/zinc/87/76/61/918877661.db2.gz BWTVBZZJUAEASN-UHFFFAOYSA-N 2 2 262.357 0.659 20 0 CCADLP CCCC[N@@H+]1CCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001405738711 918878164 /nfs/dbraw/zinc/87/81/64/918878164.db2.gz LDEQCKYJPQESFE-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP CCCC[N@H+]1CCO[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001405738711 918878179 /nfs/dbraw/zinc/87/81/79/918878179.db2.gz LDEQCKYJPQESFE-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP CCCC[N@@H+]1CCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001405738723 918880347 /nfs/dbraw/zinc/88/03/47/918880347.db2.gz LDEQCKYJPQESFE-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP CCCC[N@H+]1CCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001405738723 918880362 /nfs/dbraw/zinc/88/03/62/918880362.db2.gz LDEQCKYJPQESFE-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP C[C@H](C[NH2+]Cc1ccnn1C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001405877683 918958003 /nfs/dbraw/zinc/95/80/03/918958003.db2.gz VOXCRNROCNDPMG-LLVKDONJSA-N 2 2 290.371 0.322 20 0 CCADLP CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1nnc(C)o1)[NH+](C)C ZINC001405879664 918958530 /nfs/dbraw/zinc/95/85/30/918958530.db2.gz AGNWXSUULBGMEX-JQWIXIFHSA-N 2 2 297.403 0.655 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001405892144 918961657 /nfs/dbraw/zinc/96/16/57/918961657.db2.gz OJANZBJBDUZLJR-GHMZBOCLSA-N 2 2 282.388 0.732 20 0 CCADLP CC(C)C[C@@H](C[NH2+]C[C@@H](C)O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001405940497 918978342 /nfs/dbraw/zinc/97/83/42/918978342.db2.gz NIRSTJVNRPDBMS-NEPJUHHUSA-N 2 2 282.388 0.454 20 0 CCADLP C[C@H](C[NH2+]C[C@H](C)O)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001406361763 919214596 /nfs/dbraw/zinc/21/45/96/919214596.db2.gz SOQUHICYNQFYEX-NEPJUHHUSA-N 2 2 294.399 0.237 20 0 CCADLP C[C@@H](C[NH2+]Cc1nncs1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001406484126 919302787 /nfs/dbraw/zinc/30/27/87/919302787.db2.gz KQCNFYIJIJGBHH-WDEREUQCSA-N 2 2 297.428 0.617 20 0 CCADLP C[C@@H](C[NH2+]Cc1nncs1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001406484126 919302802 /nfs/dbraw/zinc/30/28/02/919302802.db2.gz KQCNFYIJIJGBHH-WDEREUQCSA-N 2 2 297.428 0.617 20 0 CCADLP CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccn(C)n1)[NH+](C)C ZINC001406685973 919428173 /nfs/dbraw/zinc/42/81/73/919428173.db2.gz DSFSFFAZILSUII-OCCSQVGLSA-N 2 2 295.431 0.697 20 0 CCADLP CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccn(C)n1)[NH+](C)C ZINC001406685973 919428181 /nfs/dbraw/zinc/42/81/81/919428181.db2.gz DSFSFFAZILSUII-OCCSQVGLSA-N 2 2 295.431 0.697 20 0 CCADLP C[C@H](C[N@H+](C)C[C@H]1CCCCO1)NC(=O)Cn1cc[nH+]c1 ZINC001406701605 919435100 /nfs/dbraw/zinc/43/51/00/919435100.db2.gz YPNLILYWKYGONM-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@H](C[N@@H+](C)C[C@H]1CCCCO1)NC(=O)Cn1cc[nH+]c1 ZINC001406701605 919435112 /nfs/dbraw/zinc/43/51/12/919435112.db2.gz YPNLILYWKYGONM-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP Cc1nnc(C[NH2+]C2(CNC(=O)CC[NH+](C)C)CC2)s1 ZINC001406956594 919555462 /nfs/dbraw/zinc/55/54/62/919555462.db2.gz NGHTWLWYKKALDI-UHFFFAOYSA-N 2 2 297.428 0.537 20 0 CCADLP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cn(C)nn1 ZINC001334813632 919787291 /nfs/dbraw/zinc/78/72/91/919787291.db2.gz OFQMOYWKUSFJCY-NWDGAFQWSA-N 2 2 266.393 0.102 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC001334826122 919790101 /nfs/dbraw/zinc/79/01/01/919790101.db2.gz DWJMFSSAEICCRC-SFYZADRCSA-N 2 2 258.334 0.382 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H]([NH3+])CC(F)F ZINC001334826121 919790645 /nfs/dbraw/zinc/79/06/45/919790645.db2.gz DWJMFSSAEICCRC-JGVFFNPUSA-N 2 2 258.334 0.382 20 0 CCADLP c1cn(CC[NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)c[nH+]1 ZINC001334826009 919790764 /nfs/dbraw/zinc/79/07/64/919790764.db2.gz CPZHZENMHJMTNO-GFCCVEGCSA-N 3 2 275.360 0.189 20 0 CCADLP CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001408034530 919992429 /nfs/dbraw/zinc/99/24/29/919992429.db2.gz JEAWUNZCGOLIQY-LALPHHSUSA-N 2 2 292.383 0.476 20 0 CCADLP CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001408034530 919992447 /nfs/dbraw/zinc/99/24/47/919992447.db2.gz JEAWUNZCGOLIQY-LALPHHSUSA-N 2 2 292.383 0.476 20 0 CCADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H]1CCO[C@@]13CCOC3)CC2 ZINC001335255521 920067187 /nfs/dbraw/zinc/06/71/87/920067187.db2.gz MPDPKDRWXHOBHW-MBNYWOFBSA-N 2 2 263.341 0.736 20 0 CCADLP C[C@@H]1CN(C(=O)NCCn2cc[nH+]c2)C[C@H]1CC[NH3+] ZINC001335366496 920150987 /nfs/dbraw/zinc/15/09/87/920150987.db2.gz FXLMMQRBHOBIIW-VXGBXAGGSA-N 2 2 265.361 0.509 20 0 CCADLP O=C1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCN1 ZINC001414164093 920243679 /nfs/dbraw/zinc/24/36/79/920243679.db2.gz CMOPMFANJIOGNU-GXTWGEPZSA-N 2 2 281.400 0.498 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N[C@H]2C[NH2+]CC2(C)C)c1 ZINC001336107136 920610392 /nfs/dbraw/zinc/61/03/92/920610392.db2.gz DRJJLURWDUVZPT-NSHDSACASA-N 2 2 265.361 0.260 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC001336742271 920972090 /nfs/dbraw/zinc/97/20/90/920972090.db2.gz NCHLSLGUEOMQJV-PRULPYPASA-N 2 2 260.341 0.866 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC001336742271 920972105 /nfs/dbraw/zinc/97/21/05/920972105.db2.gz NCHLSLGUEOMQJV-PRULPYPASA-N 2 2 260.341 0.866 20 0 CCADLP C[C@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]C[C@@H]1CCOC1 ZINC001418268395 921975577 /nfs/dbraw/zinc/97/55/77/921975577.db2.gz YBUZKVQZGXVPPV-OLZOCXBDSA-N 2 2 294.399 0.484 20 0 CCADLP Cc1nc(C)c(C[NH2+][C@@H](C)CNC(=O)Cn2cc[nH+]c2)o1 ZINC001418318426 922021521 /nfs/dbraw/zinc/02/15/21/922021521.db2.gz BSBBMOYTYUJDCI-JTQLQIEISA-N 2 2 291.355 0.782 20 0 CCADLP C[N@H+](CCNC(=O)CCc1c[nH]c[nH+]1)CC1CCOCC1 ZINC001418465848 922151425 /nfs/dbraw/zinc/15/14/25/922151425.db2.gz LVPVXDUWEQNKKU-UHFFFAOYSA-N 2 2 294.399 0.817 20 0 CCADLP C[N@@H+](CCNC(=O)CCc1c[nH]c[nH+]1)CC1CCOCC1 ZINC001418465848 922151437 /nfs/dbraw/zinc/15/14/37/922151437.db2.gz LVPVXDUWEQNKKU-UHFFFAOYSA-N 2 2 294.399 0.817 20 0 CCADLP C[N@H+](CCNC(=O)CCc1c[nH+]c[nH]1)CC1CCOCC1 ZINC001418465848 922151447 /nfs/dbraw/zinc/15/14/47/922151447.db2.gz LVPVXDUWEQNKKU-UHFFFAOYSA-N 2 2 294.399 0.817 20 0 CCADLP C[N@@H+](CCNC(=O)CCc1c[nH+]c[nH]1)CC1CCOCC1 ZINC001418465848 922151452 /nfs/dbraw/zinc/15/14/52/922151452.db2.gz LVPVXDUWEQNKKU-UHFFFAOYSA-N 2 2 294.399 0.817 20 0 CCADLP C[C@@H](C(N)=O)[N@H+](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001418502589 922195017 /nfs/dbraw/zinc/19/50/17/922195017.db2.gz LJSMGCJFEIJPLO-STQMWFEESA-N 2 2 298.431 0.173 20 0 CCADLP C[C@@H](C(N)=O)[N@@H+](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001418502589 922195023 /nfs/dbraw/zinc/19/50/23/922195023.db2.gz LJSMGCJFEIJPLO-STQMWFEESA-N 2 2 298.431 0.173 20 0 CCADLP C[C@@H]1C[C@H](C)[C@@H](C(=O)NCC[NH+]2CCC([NH3+])CC2)O1 ZINC001341057839 922330048 /nfs/dbraw/zinc/33/00/48/922330048.db2.gz ZNCKGJHNCQINJE-LOWVWBTDSA-N 2 2 269.389 0.339 20 0 CCADLP [NH3+]CC1(C(=O)NCC[NH+]2CCC([NH3+])CC2)CCCC1 ZINC001341056957 922330710 /nfs/dbraw/zinc/33/07/10/922330710.db2.gz QSQZPHCGUAFPTQ-UHFFFAOYSA-N 3 2 268.405 0.045 20 0 CCADLP C[C@@H]([NH3+])C1(C(=O)NCCn2cc[nH+]c2)CCOCC1 ZINC001341536304 922539466 /nfs/dbraw/zinc/53/94/66/922539466.db2.gz YBHLWTUMJQSHKN-LLVKDONJSA-N 2 2 266.345 0.143 20 0 CCADLP CCC[N@H+](C)CC(=O)NC1C[NH+](C[C@H]2CCCCO2)C1 ZINC001419001096 922559803 /nfs/dbraw/zinc/55/98/03/922559803.db2.gz ZVYUDZPXPMSKPM-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC1C[NH+](C[C@H]2CCCCO2)C1 ZINC001419001096 922559821 /nfs/dbraw/zinc/55/98/21/922559821.db2.gz ZVYUDZPXPMSKPM-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001341631953 922595204 /nfs/dbraw/zinc/59/52/04/922595204.db2.gz QAWWJXYSXWXBGR-OCCSQVGLSA-N 2 2 278.356 0.016 20 0 CCADLP [NH3+][C@H](CC(=O)N1CCC2(C1)CC[NH2+]CC2)C(F)F ZINC001341748013 922654364 /nfs/dbraw/zinc/65/43/64/922654364.db2.gz LORDTXBBOICASZ-SECBINFHSA-N 2 2 261.316 0.571 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H](CC)[NH2+]C ZINC001341753942 922657554 /nfs/dbraw/zinc/65/75/54/922657554.db2.gz UGEIEFVYVZFDQA-RYUDHWBXSA-N 2 2 257.378 0.211 20 0 CCADLP C[C@@H](C(=O)N(C)CC1CC[NH2+]CC1)n1cc[nH+]c1 ZINC001342121243 922815652 /nfs/dbraw/zinc/81/56/52/922815652.db2.gz NWGOAXDSOZDDFZ-NSHDSACASA-N 2 2 250.346 0.902 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C(C)C)[nH]1 ZINC001419942523 923175987 /nfs/dbraw/zinc/17/59/87/923175987.db2.gz XOSXOABEDXTHCF-JTQLQIEISA-N 2 2 282.392 0.048 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)C(C)C)[nH]1 ZINC001419942523 923175996 /nfs/dbraw/zinc/17/59/96/923175996.db2.gz XOSXOABEDXTHCF-JTQLQIEISA-N 2 2 282.392 0.048 20 0 CCADLP COC[C@H](C)[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001419997161 923221779 /nfs/dbraw/zinc/22/17/79/923221779.db2.gz CHUNBCOSLIZEMK-QWHCGFSZSA-N 2 2 280.372 0.356 20 0 CCADLP O=C(N[C@@H]1C[NH2+]CC12CC2)[C@H]1CCc2[nH+]ccn2C1 ZINC001343731689 923447996 /nfs/dbraw/zinc/44/79/96/923447996.db2.gz JEVDZZKCXMLRBG-WDEREUQCSA-N 2 2 260.341 0.314 20 0 CCADLP CCc1nocc1C[N@H+](C)CCNC(=O)CC[NH+](C)C ZINC001420291671 923506507 /nfs/dbraw/zinc/50/65/07/923506507.db2.gz VAJJMBAHNNPQNA-UHFFFAOYSA-N 2 2 282.388 0.737 20 0 CCADLP CCc1nocc1C[N@@H+](C)CCNC(=O)CC[NH+](C)C ZINC001420291671 923506519 /nfs/dbraw/zinc/50/65/19/923506519.db2.gz VAJJMBAHNNPQNA-UHFFFAOYSA-N 2 2 282.388 0.737 20 0 CCADLP CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC([NH2+]C2COC2)C1 ZINC001420296517 923519772 /nfs/dbraw/zinc/51/97/72/923519772.db2.gz DTBHAVIREXFATF-CQSZACIVSA-N 2 2 281.400 0.450 20 0 CCADLP CCC[N@H+]1CCCC[C@@H]1C(=O)N1CC([NH2+]C2COC2)C1 ZINC001420296517 923519785 /nfs/dbraw/zinc/51/97/85/923519785.db2.gz DTBHAVIREXFATF-CQSZACIVSA-N 2 2 281.400 0.450 20 0 CCADLP Cc1ncc(C[NH+](C)CCNC(=O)C[N@@H+](C)C(C)C)o1 ZINC001420360212 923578416 /nfs/dbraw/zinc/57/84/16/923578416.db2.gz YSOYITANKZZYAW-UHFFFAOYSA-N 2 2 282.388 0.871 20 0 CCADLP Cc1ncc(C[NH+](C)CCNC(=O)C[N@H+](C)C(C)C)o1 ZINC001420360212 923578429 /nfs/dbraw/zinc/57/84/29/923578429.db2.gz YSOYITANKZZYAW-UHFFFAOYSA-N 2 2 282.388 0.871 20 0 CCADLP Cc1ncc(C[N@@H+](C)CCNC(=O)C[NH+](C)C(C)C)o1 ZINC001420360212 923578442 /nfs/dbraw/zinc/57/84/42/923578442.db2.gz YSOYITANKZZYAW-UHFFFAOYSA-N 2 2 282.388 0.871 20 0 CCADLP Cc1ncc(C[N@H+](C)CCNC(=O)C[NH+](C)C(C)C)o1 ZINC001420360212 923578452 /nfs/dbraw/zinc/57/84/52/923578452.db2.gz YSOYITANKZZYAW-UHFFFAOYSA-N 2 2 282.388 0.871 20 0 CCADLP COC[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001420474032 923698482 /nfs/dbraw/zinc/69/84/82/923698482.db2.gz YQCOARSZOJDFGT-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP COC[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001420474032 923698491 /nfs/dbraw/zinc/69/84/91/923698491.db2.gz YQCOARSZOJDFGT-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@H](C[N@H+](C)C/C=C/Cl)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001420549114 923769320 /nfs/dbraw/zinc/76/93/20/923769320.db2.gz ARNJEKMERSNABT-RVAOTSRCSA-N 2 2 289.807 0.506 20 0 CCADLP C[C@H](C[N@@H+](C)C/C=C/Cl)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001420549114 923769333 /nfs/dbraw/zinc/76/93/33/923769333.db2.gz ARNJEKMERSNABT-RVAOTSRCSA-N 2 2 289.807 0.506 20 0 CCADLP C[C@H](C[NH+](C)C/C=C/Cl)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001420549114 923769342 /nfs/dbraw/zinc/76/93/42/923769342.db2.gz ARNJEKMERSNABT-RVAOTSRCSA-N 2 2 289.807 0.506 20 0 CCADLP C[C@H](C[NH+](C)C/C=C/Cl)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001420549114 923769353 /nfs/dbraw/zinc/76/93/53/923769353.db2.gz ARNJEKMERSNABT-RVAOTSRCSA-N 2 2 289.807 0.506 20 0 CCADLP C[C@H](C[N@H+](C)CCO)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001420596899 923808514 /nfs/dbraw/zinc/80/85/14/923808514.db2.gz RICZNHNYGUWQIO-SNVBAGLBSA-N 2 2 276.340 0.605 20 0 CCADLP C[C@H](C[N@@H+](C)CCO)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001420596899 923808518 /nfs/dbraw/zinc/80/85/18/923808518.db2.gz RICZNHNYGUWQIO-SNVBAGLBSA-N 2 2 276.340 0.605 20 0 CCADLP C[C@H](O)CCC[N@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001420673028 923866750 /nfs/dbraw/zinc/86/67/50/923866750.db2.gz YKWHYJOPUJLKAO-STQMWFEESA-N 2 2 296.415 0.560 20 0 CCADLP C[C@H](O)CCC[N@@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001420673028 923866757 /nfs/dbraw/zinc/86/67/57/923866757.db2.gz YKWHYJOPUJLKAO-STQMWFEESA-N 2 2 296.415 0.560 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCN(c2cnn(C)c2)C1 ZINC001345470322 923898117 /nfs/dbraw/zinc/89/81/17/923898117.db2.gz QXNGPNUFZNMBMA-BZPMIXESSA-N 2 2 263.389 0.586 20 0 CCADLP CC(C)CC[NH+]1CC(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001421072054 924137612 /nfs/dbraw/zinc/13/76/12/924137612.db2.gz FQTGEAIFBPPYHR-UHFFFAOYSA-N 2 2 283.416 0.555 20 0 CCADLP CN(C(=O)CCC[NH+]1CCCCC1)C1C[NH+](CCO)C1 ZINC001421092595 924145257 /nfs/dbraw/zinc/14/52/57/924145257.db2.gz MTXFSACVYJLAKT-UHFFFAOYSA-N 2 2 283.416 0.387 20 0 CCADLP CC[C@H](F)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001421212681 924222164 /nfs/dbraw/zinc/22/21/64/924222164.db2.gz AFKZFYXGLPYIAA-AVGNSLFASA-N 2 2 271.380 0.971 20 0 CCADLP CC[C@H](F)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001421212681 924222172 /nfs/dbraw/zinc/22/21/72/924222172.db2.gz AFKZFYXGLPYIAA-AVGNSLFASA-N 2 2 271.380 0.971 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001346467983 924228126 /nfs/dbraw/zinc/22/81/26/924228126.db2.gz LFOASWSTHXNWOB-STQMWFEESA-N 2 2 264.373 0.952 20 0 CCADLP CC(C)(C(=O)N1CC[C@@H]([NH+]2CCC2)C1)c1c[nH+]c[nH]1 ZINC001354103130 926015453 /nfs/dbraw/zinc/01/54/53/926015453.db2.gz LVAQYCSLPKNGJJ-LLVKDONJSA-N 2 2 262.357 0.994 20 0 CCADLP COCC1(C(=O)NCC[NH+]2CCC([NH3+])CC2)CCC1 ZINC001354771135 926163196 /nfs/dbraw/zinc/16/31/96/926163196.db2.gz PFFWVWATVFECMR-UHFFFAOYSA-N 2 2 269.389 0.342 20 0 CCADLP [NH3+]Cc1cc(C(=O)NCCCCC[NH+]2CCNCC2)co1 ZINC001354968789 926189981 /nfs/dbraw/zinc/18/99/81/926189981.db2.gz FTMCYURYKJMPBW-UHFFFAOYSA-N 2 2 294.399 0.544 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC001355696069 926304459 /nfs/dbraw/zinc/30/44/59/926304459.db2.gz NGMPTYAWEDLKRQ-ADEWGFFLSA-N 2 2 262.357 0.974 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC001355696069 926304468 /nfs/dbraw/zinc/30/44/68/926304468.db2.gz NGMPTYAWEDLKRQ-ADEWGFFLSA-N 2 2 262.357 0.974 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001357458576 926537016 /nfs/dbraw/zinc/53/70/16/926537016.db2.gz YMUBDBLFANKFGT-OUAUKWLOSA-N 2 2 250.346 0.974 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001357458576 926537024 /nfs/dbraw/zinc/53/70/24/926537024.db2.gz YMUBDBLFANKFGT-OUAUKWLOSA-N 2 2 250.346 0.974 20 0 CCADLP C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1nccn1C ZINC001422169254 927121803 /nfs/dbraw/zinc/12/18/03/927121803.db2.gz VZMDZUUCCOOZPK-NSHDSACASA-N 2 2 290.371 0.370 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CC3(F)F)C2)CC1 ZINC001361819107 927355426 /nfs/dbraw/zinc/35/54/26/927355426.db2.gz IXFNGXAAJUCVIR-ZYHUDNBSSA-N 2 2 287.354 0.926 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CC3(F)F)C2)CC1 ZINC001361819107 927355440 /nfs/dbraw/zinc/35/54/40/927355440.db2.gz IXFNGXAAJUCVIR-ZYHUDNBSSA-N 2 2 287.354 0.926 20 0 CCADLP COCCn1cc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cn1 ZINC001422582091 927382622 /nfs/dbraw/zinc/38/26/22/927382622.db2.gz VUUDYXDIOBHJPG-AWEZNQCLSA-N 2 2 282.388 0.076 20 0 CCADLP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)Cc1ccnn1C ZINC001422593222 927394117 /nfs/dbraw/zinc/39/41/17/927394117.db2.gz AAVIJKPMJPOLCN-CYBMUJFWSA-N 2 2 293.415 0.452 20 0 CCADLP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)Cc1ccnn1C ZINC001422593222 927394132 /nfs/dbraw/zinc/39/41/32/927394132.db2.gz AAVIJKPMJPOLCN-CYBMUJFWSA-N 2 2 293.415 0.452 20 0 CCADLP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+](Cc2ccn(C)n2)C1 ZINC001422737213 927482542 /nfs/dbraw/zinc/48/25/42/927482542.db2.gz XIDGLEFVDMOFIQ-GFCCVEGCSA-N 2 2 293.415 0.308 20 0 CCADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCC(N)=O ZINC001361977565 927493628 /nfs/dbraw/zinc/49/36/28/927493628.db2.gz CZHVFUOCWVDPTL-UHFFFAOYSA-N 2 2 273.296 0.780 20 0 CCADLP CC[C@H](F)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001422835162 927541330 /nfs/dbraw/zinc/54/13/30/927541330.db2.gz IZENNQJYSBQTRU-ZDEQEGDKSA-N 2 2 294.374 0.994 20 0 CCADLP CC[C@H](F)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001422835162 927541337 /nfs/dbraw/zinc/54/13/37/927541337.db2.gz IZENNQJYSBQTRU-ZDEQEGDKSA-N 2 2 294.374 0.994 20 0 CCADLP CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001422870597 927560262 /nfs/dbraw/zinc/56/02/62/927560262.db2.gz YUKZNPHFDDMPHB-ZSOGYDGISA-N 2 2 276.384 0.977 20 0 CCADLP CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001422870597 927560270 /nfs/dbraw/zinc/56/02/70/927560270.db2.gz YUKZNPHFDDMPHB-ZSOGYDGISA-N 2 2 276.384 0.977 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001423021293 927630917 /nfs/dbraw/zinc/63/09/17/927630917.db2.gz FKWSVAULGKFFDQ-PWSUYJOCSA-N 2 2 280.372 0.472 20 0 CCADLP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]CCn1cccn1 ZINC001423186372 927718963 /nfs/dbraw/zinc/71/89/63/927718963.db2.gz ONYFXLBPFNJRMC-CYBMUJFWSA-N 2 2 290.371 0.216 20 0 CCADLP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]CCn1cccn1 ZINC001423186373 927720565 /nfs/dbraw/zinc/72/05/65/927720565.db2.gz ONYFXLBPFNJRMC-ZDUSSCGKSA-N 2 2 290.371 0.216 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2cscn2)CC1 ZINC001423198860 927732179 /nfs/dbraw/zinc/73/21/79/927732179.db2.gz HWCQMLRNCCOJIO-LBPRGKRZSA-N 2 2 294.424 0.976 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2cscn2)CC1 ZINC001423198860 927732188 /nfs/dbraw/zinc/73/21/88/927732188.db2.gz HWCQMLRNCCOJIO-LBPRGKRZSA-N 2 2 294.424 0.976 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2O)CC1 ZINC001423243405 927761798 /nfs/dbraw/zinc/76/17/98/927761798.db2.gz MVZRUNHJAFPDKW-ZIAGYGMSSA-N 2 2 284.400 0.907 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001423471802 927878901 /nfs/dbraw/zinc/87/89/01/927878901.db2.gz SCFAIVWDRMXCFE-OCCSQVGLSA-N 2 2 294.399 0.958 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001423471802 927878910 /nfs/dbraw/zinc/87/89/10/927878910.db2.gz SCFAIVWDRMXCFE-OCCSQVGLSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H](O)C[NH2+]C1(C)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001424484969 928195595 /nfs/dbraw/zinc/19/55/95/928195595.db2.gz YYCDKQXGMQBZAZ-ZDUSSCGKSA-N 2 2 294.399 0.625 20 0 CCADLP CC(C)(C(=O)N1CCC(C)([NH2+]CCO)CC1)c1c[nH+]c[nH]1 ZINC001424494045 928198895 /nfs/dbraw/zinc/19/88/95/928198895.db2.gz YBXFMOVHDCOUJK-UHFFFAOYSA-N 2 2 294.399 0.650 20 0 CCADLP CCC[NH+]1CCC(CO)(NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001424648607 928235648 /nfs/dbraw/zinc/23/56/48/928235648.db2.gz MTYITCOTKHXAOP-UHFFFAOYSA-N 2 2 294.399 0.614 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001362857242 928579778 /nfs/dbraw/zinc/57/97/78/928579778.db2.gz ZWIONJWASYAMQG-BETUJISGSA-N 2 2 278.356 0.171 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC001362857242 928579784 /nfs/dbraw/zinc/57/97/84/928579784.db2.gz ZWIONJWASYAMQG-BETUJISGSA-N 2 2 278.356 0.171 20 0 CCADLP NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)o1 ZINC001363409982 929195237 /nfs/dbraw/zinc/19/52/37/929195237.db2.gz GZWGMQMUUUBNMU-VIFPVBQESA-N 2 2 296.352 0.228 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC([NH2+]C2CCOCC2)C1 ZINC001363587114 929394594 /nfs/dbraw/zinc/39/45/94/929394594.db2.gz QKUJUPCPPUTJMT-UHFFFAOYSA-N 2 2 278.356 0.240 20 0 CCADLP C[C@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cnns1 ZINC001371864834 929648739 /nfs/dbraw/zinc/64/87/39/929648739.db2.gz WEEGNLLHGQRWRS-SECBINFHSA-N 2 2 294.384 0.488 20 0 CCADLP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1nnc(C)o1 ZINC001443904826 929737625 /nfs/dbraw/zinc/73/76/25/929737625.db2.gz VAEXZFATJRZFAM-NEPJUHHUSA-N 2 2 295.387 0.457 20 0 CCADLP CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1nnc(C)o1 ZINC001443904826 929737632 /nfs/dbraw/zinc/73/76/32/929737632.db2.gz VAEXZFATJRZFAM-NEPJUHHUSA-N 2 2 295.387 0.457 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]C[C@@H]1CCOC1 ZINC001444421796 929865849 /nfs/dbraw/zinc/86/58/49/929865849.db2.gz PCNAAUNBJYFMDW-STQMWFEESA-N 2 2 280.372 0.262 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1nnc(C)o1 ZINC001444696257 929934699 /nfs/dbraw/zinc/93/46/99/929934699.db2.gz GQATVVQBRWTLEY-LLVKDONJSA-N 2 2 297.403 0.656 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1nnc(C)o1 ZINC001444696257 929934704 /nfs/dbraw/zinc/93/47/04/929934704.db2.gz GQATVVQBRWTLEY-LLVKDONJSA-N 2 2 297.403 0.656 20 0 CCADLP CC[C@@H](C)C[NH2+]C[C@H](O)CNC(=O)Cc1c[nH+]cn1C ZINC001445278717 930084698 /nfs/dbraw/zinc/08/46/98/930084698.db2.gz PCDSEHMFEBPAJV-YPMHNXCESA-N 2 2 282.388 0.075 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001445587390 930175592 /nfs/dbraw/zinc/17/55/92/930175592.db2.gz CDIWVHSWBCFOGO-HOSYDEDBSA-N 2 2 295.387 0.628 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001445587390 930175600 /nfs/dbraw/zinc/17/56/00/930175600.db2.gz CDIWVHSWBCFOGO-HOSYDEDBSA-N 2 2 295.387 0.628 20 0 CCADLP CC[NH+](CC)C[C@@H](F)C(=O)NC1C[NH+](CCCF)C1 ZINC001373431332 930189659 /nfs/dbraw/zinc/18/96/59/930189659.db2.gz JJNKCHJOABPHAJ-GFCCVEGCSA-N 2 2 277.359 0.826 20 0 CCADLP C[C@H](C[N@H+](C)CCOC1CCC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001445817580 930256892 /nfs/dbraw/zinc/25/68/92/930256892.db2.gz MWFNZURIGROMSO-GFCCVEGCSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H](C[N@@H+](C)CCOC1CCC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001445817580 930256898 /nfs/dbraw/zinc/25/68/98/930256898.db2.gz MWFNZURIGROMSO-GFCCVEGCSA-N 2 2 294.399 0.958 20 0 CCADLP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC(=O)NC)C1)[NH+](CC)CC ZINC001373602413 930263515 /nfs/dbraw/zinc/26/35/15/930263515.db2.gz CIYSNVFNBSAGRK-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)NC)C1)[NH+](CC)CC ZINC001373602413 930263523 /nfs/dbraw/zinc/26/35/23/930263523.db2.gz CIYSNVFNBSAGRK-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP C[C@@H](O)C[N@H+](C)C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001445845035 930265380 /nfs/dbraw/zinc/26/53/80/930265380.db2.gz OKQBMZCNXTYKGY-VXGBXAGGSA-N 2 2 282.388 0.170 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001445845035 930265386 /nfs/dbraw/zinc/26/53/86/930265386.db2.gz OKQBMZCNXTYKGY-VXGBXAGGSA-N 2 2 282.388 0.170 20 0 CCADLP C[C@@H](O)CCC[N@H+](C)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001445836728 930266185 /nfs/dbraw/zinc/26/61/85/930266185.db2.gz SSWYDHQZBNRSTE-NWDGAFQWSA-N 2 2 282.388 0.550 20 0 CCADLP C[C@@H](O)CCC[N@@H+](C)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001445836728 930266193 /nfs/dbraw/zinc/26/61/93/930266193.db2.gz SSWYDHQZBNRSTE-NWDGAFQWSA-N 2 2 282.388 0.550 20 0 CCADLP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C[NH2+]C[C@H](C)O ZINC001374091019 930420811 /nfs/dbraw/zinc/42/08/11/930420811.db2.gz XFZLYDIUGPQTSL-QWRGUYRKSA-N 2 2 290.367 0.899 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001446548484 930435404 /nfs/dbraw/zinc/43/54/04/930435404.db2.gz YOTJMJWOVDZCGR-DZGCQCFKSA-N 2 2 294.399 0.889 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001446548484 930435409 /nfs/dbraw/zinc/43/54/09/930435409.db2.gz YOTJMJWOVDZCGR-DZGCQCFKSA-N 2 2 294.399 0.889 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CCO)C1 ZINC001374391474 930496519 /nfs/dbraw/zinc/49/65/19/930496519.db2.gz JEKHQVVUOWQNHA-DGCLKSJQSA-N 2 2 294.399 0.470 20 0 CCADLP CCC[NH+]1CC(O)(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001446886933 930510822 /nfs/dbraw/zinc/51/08/22/930510822.db2.gz KBWGHDIZWXVXHR-UHFFFAOYSA-N 2 2 283.416 0.291 20 0 CCADLP CC(C)[C@@H](C(=O)NC[C@H]1COCC[N@@H+]1CC1CC1)[NH+](C)C ZINC001447143858 930576288 /nfs/dbraw/zinc/57/62/88/930576288.db2.gz RQWAYIQVLKXOPP-GJZGRUSLSA-N 2 2 297.443 0.800 20 0 CCADLP CC(C)[C@@H](C(=O)NC[C@H]1COCC[N@H+]1CC1CC1)[NH+](C)C ZINC001447143858 930576292 /nfs/dbraw/zinc/57/62/92/930576292.db2.gz RQWAYIQVLKXOPP-GJZGRUSLSA-N 2 2 297.443 0.800 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@H]1COCC[N@@H+]1CC1CC1)[NH+](C)C ZINC001447150865 930576975 /nfs/dbraw/zinc/57/69/75/930576975.db2.gz RQWAYIQVLKXOPP-LSDHHAIUSA-N 2 2 297.443 0.800 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@H]1COCC[N@H+]1CC1CC1)[NH+](C)C ZINC001447150865 930576981 /nfs/dbraw/zinc/57/69/81/930576981.db2.gz RQWAYIQVLKXOPP-LSDHHAIUSA-N 2 2 297.443 0.800 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)C[N@H+](C)C(C)C)CCO2 ZINC001447374641 930619108 /nfs/dbraw/zinc/61/91/08/930619108.db2.gz CLUZCMQBZCLHKX-UHFFFAOYSA-N 2 2 283.416 0.650 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)C[N@@H+](C)C(C)C)CCO2 ZINC001447374641 930619113 /nfs/dbraw/zinc/61/91/13/930619113.db2.gz CLUZCMQBZCLHKX-UHFFFAOYSA-N 2 2 283.416 0.650 20 0 CCADLP Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C2CCC2)[nH]1 ZINC001374770926 930654493 /nfs/dbraw/zinc/65/44/93/930654493.db2.gz KTWXUUHPCUQZFI-SNVBAGLBSA-N 2 2 294.403 0.192 20 0 CCADLP Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)[nH]1 ZINC001374770926 930654495 /nfs/dbraw/zinc/65/44/95/930654495.db2.gz KTWXUUHPCUQZFI-SNVBAGLBSA-N 2 2 294.403 0.192 20 0 CCADLP Cc1ncsc1C[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001374854163 930690115 /nfs/dbraw/zinc/69/01/15/930690115.db2.gz WJZSQQGSFIKYII-SNVBAGLBSA-N 2 2 293.396 0.943 20 0 CCADLP C[C@@H](C[NH2+]C[C@H]1CC(C)(C)CO1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001374936803 930732539 /nfs/dbraw/zinc/73/25/39/930732539.db2.gz WUUDPQRVQOHQGY-WCQYABFASA-N 2 2 294.399 0.862 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+]Cc1ccon1 ZINC001374976536 930741810 /nfs/dbraw/zinc/74/18/10/930741810.db2.gz ITTFRBBHDADIQX-JTQLQIEISA-N 2 2 277.328 0.474 20 0 CCADLP COCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001448046028 930799155 /nfs/dbraw/zinc/79/91/55/930799155.db2.gz NCRUESVFGVFZCJ-QWHCGFSZSA-N 2 2 294.399 0.528 20 0 CCADLP COCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001448046028 930799164 /nfs/dbraw/zinc/79/91/64/930799164.db2.gz NCRUESVFGVFZCJ-QWHCGFSZSA-N 2 2 294.399 0.528 20 0 CCADLP CC(C)OCC[N@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001375164236 930808758 /nfs/dbraw/zinc/80/87/58/930808758.db2.gz MLJTZQGNNGPVOQ-CYBMUJFWSA-N 2 2 282.388 0.745 20 0 CCADLP CC(C)OCC[N@@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001375164236 930808759 /nfs/dbraw/zinc/80/87/59/930808759.db2.gz MLJTZQGNNGPVOQ-CYBMUJFWSA-N 2 2 282.388 0.745 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001375723804 930959706 /nfs/dbraw/zinc/95/97/06/930959706.db2.gz JWCKRYZCHYHKFN-HNNXBMFYSA-N 2 2 297.443 0.896 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001448783388 930980544 /nfs/dbraw/zinc/98/05/44/930980544.db2.gz LSKYRSXKXSTESY-JQWIXIFHSA-N 2 2 295.387 0.266 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001448783388 930980550 /nfs/dbraw/zinc/98/05/50/930980550.db2.gz LSKYRSXKXSTESY-JQWIXIFHSA-N 2 2 295.387 0.266 20 0 CCADLP C[C@@H]1[C@H]([NH2+]CCO)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001448983202 931041334 /nfs/dbraw/zinc/04/13/34/931041334.db2.gz ZHDSDALVKJSIFQ-CHWSQXEVSA-N 2 2 280.372 0.235 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2cncn2C)C1 ZINC001376151766 931072918 /nfs/dbraw/zinc/07/29/18/931072918.db2.gz JHFBILYRNRCYCF-CYBMUJFWSA-N 2 2 293.415 0.452 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2cncn2C)C1 ZINC001376151766 931072925 /nfs/dbraw/zinc/07/29/25/931072925.db2.gz JHFBILYRNRCYCF-CYBMUJFWSA-N 2 2 293.415 0.452 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2cncn2C)C1 ZINC001376151766 931072934 /nfs/dbraw/zinc/07/29/34/931072934.db2.gz JHFBILYRNRCYCF-CYBMUJFWSA-N 2 2 293.415 0.452 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2cncn2C)C1 ZINC001376151766 931072945 /nfs/dbraw/zinc/07/29/45/931072945.db2.gz JHFBILYRNRCYCF-CYBMUJFWSA-N 2 2 293.415 0.452 20 0 CCADLP CC[C@H](C)C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001449157634 931087826 /nfs/dbraw/zinc/08/78/26/931087826.db2.gz DEURBIZJNUQADR-NWDGAFQWSA-N 2 2 282.388 0.407 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccccn1 ZINC001376823865 931291618 /nfs/dbraw/zinc/29/16/18/931291618.db2.gz KPUFOGQOFHVLNO-NSHDSACASA-N 2 2 273.340 0.642 20 0 CCADLP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH2+]Cc1csnn1 ZINC001376835774 931297983 /nfs/dbraw/zinc/29/79/83/931297983.db2.gz AVLSWBCMDVJORL-JTQLQIEISA-N 2 2 285.417 0.474 20 0 CCADLP CC[N@@H+](C)CCC(=O)NC[C@H](C)[NH2+]Cc1csnn1 ZINC001376835774 931297994 /nfs/dbraw/zinc/29/79/94/931297994.db2.gz AVLSWBCMDVJORL-JTQLQIEISA-N 2 2 285.417 0.474 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)CNC(=O)C[C@@H]2CC[N@H+](C)C2)o1 ZINC001376851697 931304711 /nfs/dbraw/zinc/30/47/11/931304711.db2.gz DWGWCEFZLKSZKT-PWSUYJOCSA-N 2 2 295.387 0.314 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)o1 ZINC001376851697 931304717 /nfs/dbraw/zinc/30/47/17/931304717.db2.gz DWGWCEFZLKSZKT-PWSUYJOCSA-N 2 2 295.387 0.314 20 0 CCADLP COC[C@H](C)[N@H+](C)CCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001377002005 931350726 /nfs/dbraw/zinc/35/07/26/931350726.db2.gz QRWZRCBHFVAYAN-ZDUSSCGKSA-N 2 2 296.415 0.778 20 0 CCADLP COC[C@H](C)[N@@H+](C)CCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001377002005 931350730 /nfs/dbraw/zinc/35/07/30/931350730.db2.gz QRWZRCBHFVAYAN-ZDUSSCGKSA-N 2 2 296.415 0.778 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@H+](C)Cc1ccnn1C)[NH+](C)C ZINC001377172249 931418065 /nfs/dbraw/zinc/41/80/65/931418065.db2.gz GORZZKNUODNSMC-AWEZNQCLSA-N 2 2 295.431 0.554 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@@H+](C)Cc1ccnn1C)[NH+](C)C ZINC001377172249 931418074 /nfs/dbraw/zinc/41/80/74/931418074.db2.gz GORZZKNUODNSMC-AWEZNQCLSA-N 2 2 295.431 0.554 20 0 CCADLP CC[C@@H](CSC)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000091099589 349450790 /nfs/dbraw/zinc/45/07/90/349450790.db2.gz FZOVTDFVBGUZGJ-LBPRGKRZSA-N 2 2 273.446 0.834 20 0 CCADLP CC[C@@H](CSC)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000091099589 349450792 /nfs/dbraw/zinc/45/07/92/349450792.db2.gz FZOVTDFVBGUZGJ-LBPRGKRZSA-N 2 2 273.446 0.834 20 0 CCADLP CCNS(=O)(=O)[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000092844050 349508196 /nfs/dbraw/zinc/50/81/96/349508196.db2.gz CSLJFFCESJUJEB-QWHCGFSZSA-N 2 2 289.445 0.484 20 0 CCADLP CCNS(=O)(=O)[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000092844050 349508198 /nfs/dbraw/zinc/50/81/98/349508198.db2.gz CSLJFFCESJUJEB-QWHCGFSZSA-N 2 2 289.445 0.484 20 0 CCADLP CCNS(=O)(=O)[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000092844050 349508199 /nfs/dbraw/zinc/50/81/99/349508199.db2.gz CSLJFFCESJUJEB-QWHCGFSZSA-N 2 2 289.445 0.484 20 0 CCADLP CCNS(=O)(=O)[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000092844050 349508201 /nfs/dbraw/zinc/50/82/01/349508201.db2.gz CSLJFFCESJUJEB-QWHCGFSZSA-N 2 2 289.445 0.484 20 0 CCADLP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000092953919 349514842 /nfs/dbraw/zinc/51/48/42/349514842.db2.gz PKJWHRUCTWYDOL-UKRRQHHQSA-N 2 2 288.395 0.724 20 0 CCADLP COc1ccc(F)cc1C[NH+]1CCN(CC[NH3+])CC1 ZINC000082573838 178113635 /nfs/dbraw/zinc/11/36/35/178113635.db2.gz VXHKCEGMHLTARY-UHFFFAOYSA-N 2 2 267.348 0.911 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@H+]2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC000337475590 214107570 /nfs/dbraw/zinc/10/75/70/214107570.db2.gz YFJBHNCKYXXXRI-HNNXBMFYSA-N 2 2 296.459 0.565 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC000337475590 214107572 /nfs/dbraw/zinc/10/75/72/214107572.db2.gz YFJBHNCKYXXXRI-HNNXBMFYSA-N 2 2 296.459 0.565 20 0 CCADLP CCN(C(=O)C[NH+]1CC(C)(C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000617550440 365669747 /nfs/dbraw/zinc/66/97/47/365669747.db2.gz SSBIGLUUIFNLJU-GFCCVEGCSA-N 2 2 253.390 0.881 20 0 CCADLP CCN(C(=O)C[NH+]1CC(C)(C)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000617550440 365669749 /nfs/dbraw/zinc/66/97/49/365669749.db2.gz SSBIGLUUIFNLJU-GFCCVEGCSA-N 2 2 253.390 0.881 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnnn2C)C1 ZINC000093741955 349552312 /nfs/dbraw/zinc/55/23/12/349552312.db2.gz DJCMETWOTNBJHS-LBPRGKRZSA-N 2 2 251.378 0.979 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnnn2C)C1 ZINC000093741955 349552318 /nfs/dbraw/zinc/55/23/18/349552318.db2.gz DJCMETWOTNBJHS-LBPRGKRZSA-N 2 2 251.378 0.979 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnnn2C)C1 ZINC000093741955 349552321 /nfs/dbraw/zinc/55/23/21/349552321.db2.gz DJCMETWOTNBJHS-LBPRGKRZSA-N 2 2 251.378 0.979 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC000093741955 349552325 /nfs/dbraw/zinc/55/23/25/349552325.db2.gz DJCMETWOTNBJHS-LBPRGKRZSA-N 2 2 251.378 0.979 20 0 CCADLP CCOC(=O)c1cccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000600135579 361874711 /nfs/dbraw/zinc/87/47/11/361874711.db2.gz ZLFMQQIWELFNRS-VXGBXAGGSA-N 2 2 275.352 0.910 20 0 CCADLP CC[C@]1(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CCC[NH2+]1 ZINC000423766157 529386808 /nfs/dbraw/zinc/38/68/08/529386808.db2.gz XUFWUQPZQYUIEU-UKRRQHHQSA-N 2 2 281.400 0.498 20 0 CCADLP CC[C@]1(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CCC[NH2+]1 ZINC000423766157 529386811 /nfs/dbraw/zinc/38/68/11/529386811.db2.gz XUFWUQPZQYUIEU-UKRRQHHQSA-N 2 2 281.400 0.498 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@H](C)[NH2+]C)CCO1 ZINC000418628329 529391920 /nfs/dbraw/zinc/39/19/20/529391920.db2.gz OUEARDFXDVCMBS-NWDGAFQWSA-N 2 2 272.393 0.004 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@H](C)[NH2+]C)CCO1 ZINC000418628329 529391923 /nfs/dbraw/zinc/39/19/23/529391923.db2.gz OUEARDFXDVCMBS-NWDGAFQWSA-N 2 2 272.393 0.004 20 0 CCADLP C[NH+](C)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000338022791 214365491 /nfs/dbraw/zinc/36/54/91/214365491.db2.gz URWFMMBGSTYJCQ-UHFFFAOYSA-N 2 2 250.346 0.826 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000423763020 529464045 /nfs/dbraw/zinc/46/40/45/529464045.db2.gz SYYJVKXTAJCSRZ-RDBSUJKOSA-N 2 2 281.400 0.354 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000423763020 529464049 /nfs/dbraw/zinc/46/40/49/529464049.db2.gz SYYJVKXTAJCSRZ-RDBSUJKOSA-N 2 2 281.400 0.354 20 0 CCADLP CC[C@@H](C[NH+]1CCN(C(=O)C[NH+](C)C)CC1)OC ZINC000419182873 529473390 /nfs/dbraw/zinc/47/33/90/529473390.db2.gz HYRZWCRCKLZWTB-LBPRGKRZSA-N 2 2 257.378 0.117 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000493778863 529550831 /nfs/dbraw/zinc/55/08/31/529550831.db2.gz NCHSSKXATKPENG-HMDXOVGESA-N 2 2 284.310 0.982 20 0 CCADLP CC1CCC(NC(=O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000107579221 349738914 /nfs/dbraw/zinc/73/89/14/349738914.db2.gz DAFHCBAMNMWNNR-CEUNDQEZSA-N 2 2 265.401 0.833 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC000426133846 282204444 /nfs/dbraw/zinc/20/44/44/282204444.db2.gz OGSDXSRMWLSREO-LLVKDONJSA-N 2 2 250.346 0.744 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CCN(C)C(=O)[C@H]1C ZINC000426133846 282204446 /nfs/dbraw/zinc/20/44/46/282204446.db2.gz OGSDXSRMWLSREO-LLVKDONJSA-N 2 2 250.346 0.744 20 0 CCADLP CC[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C(=O)NC ZINC000425369563 529634842 /nfs/dbraw/zinc/63/48/42/529634842.db2.gz MJZZRUBIFQVSKU-JTQLQIEISA-N 2 2 253.350 0.100 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)CCc2[nH]cc[nH+]2)[C@@H](C)CO1 ZINC000617725513 365733415 /nfs/dbraw/zinc/73/34/15/365733415.db2.gz LGBIJECLZYHGOQ-RYUDHWBXSA-N 2 2 280.372 0.568 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)CCc2[nH]cc[nH+]2)[C@@H](C)CO1 ZINC000617725513 365733424 /nfs/dbraw/zinc/73/34/24/365733424.db2.gz LGBIJECLZYHGOQ-RYUDHWBXSA-N 2 2 280.372 0.568 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCOCC(=O)OC(C)(C)C ZINC000601144354 362157172 /nfs/dbraw/zinc/15/71/72/362157172.db2.gz JVJCKKGYQSLBOQ-NWDGAFQWSA-N 2 2 272.389 0.884 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCOCC(=O)OC(C)(C)C ZINC000601144354 362157177 /nfs/dbraw/zinc/15/71/77/362157177.db2.gz JVJCKKGYQSLBOQ-NWDGAFQWSA-N 2 2 272.389 0.884 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnc2n1CCC2 ZINC000617763217 365766520 /nfs/dbraw/zinc/76/65/20/365766520.db2.gz JQLRDOUVTDKVLN-UHFFFAOYSA-N 2 2 293.415 0.443 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnc2n1CCC2 ZINC000617763217 365766525 /nfs/dbraw/zinc/76/65/25/365766525.db2.gz JQLRDOUVTDKVLN-UHFFFAOYSA-N 2 2 293.415 0.443 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H](O)C1CCCCC1 ZINC000617764924 365769475 /nfs/dbraw/zinc/76/94/75/365769475.db2.gz MGBQXLBSENMABP-HNNXBMFYSA-N 2 2 299.459 0.927 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H](O)C1CCCCC1 ZINC000617764924 365769479 /nfs/dbraw/zinc/76/94/79/365769479.db2.gz MGBQXLBSENMABP-HNNXBMFYSA-N 2 2 299.459 0.927 20 0 CCADLP CCO[C@@H]1C[C@@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767472 365773230 /nfs/dbraw/zinc/77/32/30/365773230.db2.gz XDTDUAXJOWINLE-QWHCGFSZSA-N 2 2 271.405 0.411 20 0 CCADLP CCO[C@@H]1C[C@@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767472 365773238 /nfs/dbraw/zinc/77/32/38/365773238.db2.gz XDTDUAXJOWINLE-QWHCGFSZSA-N 2 2 271.405 0.411 20 0 CCADLP CCO[C@H]1C[C@@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767473 365774133 /nfs/dbraw/zinc/77/41/33/365774133.db2.gz XDTDUAXJOWINLE-STQMWFEESA-N 2 2 271.405 0.411 20 0 CCADLP CCO[C@H]1C[C@@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767473 365774136 /nfs/dbraw/zinc/77/41/36/365774136.db2.gz XDTDUAXJOWINLE-STQMWFEESA-N 2 2 271.405 0.411 20 0 CCADLP Cc1cc(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)no1 ZINC000617766368 365771503 /nfs/dbraw/zinc/77/15/03/365771503.db2.gz HVYKOTJSZKXXTJ-UHFFFAOYSA-N 2 2 282.388 0.525 20 0 CCADLP Cc1cc(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)no1 ZINC000617766368 365771508 /nfs/dbraw/zinc/77/15/08/365771508.db2.gz HVYKOTJSZKXXTJ-UHFFFAOYSA-N 2 2 282.388 0.525 20 0 CCADLP CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)[C@H]2CC[NH2+]2)C1 ZINC000423930280 529815451 /nfs/dbraw/zinc/81/54/51/529815451.db2.gz NXNCZVGEVHTUBQ-NWDGAFQWSA-N 2 2 290.367 0.489 20 0 CCADLP CN(C)c1[nH+]cc(CN(C)C2CC[NH+](CCO)CC2)n1C ZINC000425336950 529806674 /nfs/dbraw/zinc/80/66/74/529806674.db2.gz MSRIHZXZMASWBX-UHFFFAOYSA-N 2 2 295.431 0.375 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@@](C)(O)C2)n1C ZINC000425334165 529807835 /nfs/dbraw/zinc/80/78/35/529807835.db2.gz GPPPKLNOMGHICP-CYBMUJFWSA-N 2 2 252.362 0.833 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@@](C)(O)C2)n1C ZINC000425334165 529807836 /nfs/dbraw/zinc/80/78/36/529807836.db2.gz GPPPKLNOMGHICP-CYBMUJFWSA-N 2 2 252.362 0.833 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCC[C@@H](C(N)=O)C2)n1C ZINC000425358476 529810660 /nfs/dbraw/zinc/81/06/60/529810660.db2.gz QYAQDXDTUPRHFS-MNOVXSKESA-N 2 2 279.388 0.620 20 0 CCADLP CN1C[C@@H](C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)OC1=O ZINC000495733959 529817841 /nfs/dbraw/zinc/81/78/41/529817841.db2.gz YSPXHGMMKPQOON-JSGCOSHPSA-N 2 2 267.373 0.855 20 0 CCADLP CN1C[C@@H](C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)OC1=O ZINC000495733959 529817843 /nfs/dbraw/zinc/81/78/43/529817843.db2.gz YSPXHGMMKPQOON-JSGCOSHPSA-N 2 2 267.373 0.855 20 0 CCADLP CN1C[C@@H](C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)OC1=O ZINC000495733959 529817844 /nfs/dbraw/zinc/81/78/44/529817844.db2.gz YSPXHGMMKPQOON-JSGCOSHPSA-N 2 2 267.373 0.855 20 0 CCADLP CN1C[C@@H](C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)OC1=O ZINC000495733959 529817845 /nfs/dbraw/zinc/81/78/45/529817845.db2.gz YSPXHGMMKPQOON-JSGCOSHPSA-N 2 2 267.373 0.855 20 0 CCADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCC[NH+]1CCOCC1 ZINC000115779461 349860375 /nfs/dbraw/zinc/86/03/75/349860375.db2.gz YKQSHBUQXKRQPZ-AWEZNQCLSA-N 2 2 298.431 0.302 20 0 CCADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCC[NH+]1CCOCC1 ZINC000115779461 349860376 /nfs/dbraw/zinc/86/03/76/349860376.db2.gz YKQSHBUQXKRQPZ-AWEZNQCLSA-N 2 2 298.431 0.302 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000425962770 529911379 /nfs/dbraw/zinc/91/13/79/529911379.db2.gz ZNIRAAKQNMNABB-CQSZACIVSA-N 2 2 281.400 0.404 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000425962770 529911380 /nfs/dbraw/zinc/91/13/80/529911380.db2.gz ZNIRAAKQNMNABB-CQSZACIVSA-N 2 2 281.400 0.404 20 0 CCADLP C[NH2+]CC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000423932158 529956386 /nfs/dbraw/zinc/95/63/86/529956386.db2.gz RPZAWEJLGUZAPW-LLVKDONJSA-N 2 2 278.356 0.347 20 0 CCADLP C[NH2+]CCC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000423933980 529959078 /nfs/dbraw/zinc/95/90/78/529959078.db2.gz XYBQTCWJVICYNY-GFCCVEGCSA-N 2 2 292.383 0.737 20 0 CCADLP CCc1[nH+]ccn1C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000305307226 201749107 /nfs/dbraw/zinc/74/91/07/201749107.db2.gz KWFXCIIPYAUIRG-RWMBFGLXSA-N 2 2 267.373 0.916 20 0 CCADLP C[C@@H](O)CNc1cc(N[C@@H](C)C[NH+](C)C)nc[nH+]1 ZINC000298792493 232005057 /nfs/dbraw/zinc/00/50/57/232005057.db2.gz DXFCHJMNHXNGBW-VHSXEESVSA-N 2 2 253.350 0.631 20 0 CCADLP O=C(CCCC[NH+]1CCOCC1)NCc1[nH]cc[nH+]1 ZINC000358136989 232047444 /nfs/dbraw/zinc/04/74/44/232047444.db2.gz NOPFPJLWPZVPCT-UHFFFAOYSA-N 2 2 266.345 0.528 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cocn3)C2)CC1 ZINC000602192789 362549825 /nfs/dbraw/zinc/54/98/25/362549825.db2.gz BHLUKDFOSIFPNA-NSHDSACASA-N 2 2 278.356 0.573 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cocn3)C2)CC1 ZINC000602192789 362549830 /nfs/dbraw/zinc/54/98/30/362549830.db2.gz BHLUKDFOSIFPNA-NSHDSACASA-N 2 2 278.356 0.573 20 0 CCADLP C[C@H]1OCC[C@@H]1[N@H+](CCO)CCCn1cc[nH+]c1 ZINC000361586401 232161617 /nfs/dbraw/zinc/16/16/17/232161617.db2.gz SHVQSBDAXZYLLN-OLZOCXBDSA-N 2 2 253.346 0.745 20 0 CCADLP C[C@H]1OCC[C@@H]1[N@@H+](CCO)CCCn1cc[nH+]c1 ZINC000361586401 232161621 /nfs/dbraw/zinc/16/16/21/232161621.db2.gz SHVQSBDAXZYLLN-OLZOCXBDSA-N 2 2 253.346 0.745 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2cnn(C)c2)CC1 ZINC000273253538 192088211 /nfs/dbraw/zinc/08/82/11/192088211.db2.gz CNDKIUAUFJFYNW-STQMWFEESA-N 2 2 293.415 0.623 20 0 CCADLP CCc1nn(C)c(CC)c1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000119314435 349929189 /nfs/dbraw/zinc/92/91/89/349929189.db2.gz CTEJPISLNJJKHR-OAHLLOKOSA-N 2 2 282.432 0.947 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)c1c[nH+]ccc1N ZINC000127564896 187315713 /nfs/dbraw/zinc/31/57/13/187315713.db2.gz LDRUDMPLRMDOBZ-SNVBAGLBSA-N 2 2 264.329 0.114 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)[nH]c1C ZINC000602547728 362672559 /nfs/dbraw/zinc/67/25/59/362672559.db2.gz ZWHBPMYQFUJINO-CYBMUJFWSA-N 2 2 294.399 0.445 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)[nH]c1C ZINC000602547728 362672565 /nfs/dbraw/zinc/67/25/65/362672565.db2.gz ZWHBPMYQFUJINO-CYBMUJFWSA-N 2 2 294.399 0.445 20 0 CCADLP CN(C)c1nc(N2CC[NH+](Cc3ccno3)CC2)cc[nH+]1 ZINC000533071415 290780673 /nfs/dbraw/zinc/78/06/73/290780673.db2.gz CCLFHILUEVDZGW-UHFFFAOYSA-N 2 2 288.355 0.853 20 0 CCADLP CC[C@@H](C(=O)NCCC[NH+](C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000339228308 215027321 /nfs/dbraw/zinc/02/73/21/215027321.db2.gz MPCYJGVNSWHFFW-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP CC[C@@H](C(=O)NCCC[NH+](C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000339228308 215027323 /nfs/dbraw/zinc/02/73/23/215027323.db2.gz MPCYJGVNSWHFFW-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NS(=O)(=O)CCC[NH+](C)C ZINC000631756411 370657885 /nfs/dbraw/zinc/65/78/85/370657885.db2.gz PPDDEDCIHYFIMZ-LLVKDONJSA-N 2 2 274.390 0.143 20 0 CCADLP CC(C)n1cc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)nn1 ZINC000342108298 535061265 /nfs/dbraw/zinc/06/12/65/535061265.db2.gz SWHGQELWTDJPAR-ZDUSSCGKSA-N 2 2 294.403 0.288 20 0 CCADLP CC(C)n1cc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)nn1 ZINC000342108298 535061270 /nfs/dbraw/zinc/06/12/70/535061270.db2.gz SWHGQELWTDJPAR-ZDUSSCGKSA-N 2 2 294.403 0.288 20 0 CCADLP C[C@@H](c1nnnn1C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000408270472 137857982 /nfs/dbraw/zinc/85/79/82/137857982.db2.gz QCDZJIGNWLJFNY-JTQLQIEISA-N 2 2 252.366 0.545 20 0 CCADLP Cc1cc(NC(=O)NCC2(O)CC[NH+](C)CC2)c(C)c[nH+]1 ZINC000535059708 290825215 /nfs/dbraw/zinc/82/52/15/290825215.db2.gz MKGRFNBRNJJDBQ-UHFFFAOYSA-N 2 2 292.383 0.699 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C)C(C)C ZINC000252112323 137002593 /nfs/dbraw/zinc/00/25/93/137002593.db2.gz JSVDXTCDNCPRSN-VHRBIJSZSA-N 2 2 269.389 0.385 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C)C(C)C ZINC000252112323 137002594 /nfs/dbraw/zinc/00/25/94/137002594.db2.gz JSVDXTCDNCPRSN-VHRBIJSZSA-N 2 2 269.389 0.385 20 0 CCADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CCCCC1 ZINC000261555911 137007997 /nfs/dbraw/zinc/00/79/97/137007997.db2.gz BSKWQHSYFGPASU-CHWSQXEVSA-N 2 2 251.374 0.683 20 0 CCADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CCCCC1 ZINC000261555911 137007998 /nfs/dbraw/zinc/00/79/98/137007998.db2.gz BSKWQHSYFGPASU-CHWSQXEVSA-N 2 2 251.374 0.683 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)C[C@@H](C)O1 ZINC000261589841 137010929 /nfs/dbraw/zinc/01/09/29/137010929.db2.gz LALIZWKJHDOPTO-YRGRVCCFSA-N 2 2 269.389 0.293 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@](C)(C[NH3+])C2)C[C@@H](C)O1 ZINC000261589841 137010930 /nfs/dbraw/zinc/01/09/30/137010930.db2.gz LALIZWKJHDOPTO-YRGRVCCFSA-N 2 2 269.389 0.293 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000261606557 137011750 /nfs/dbraw/zinc/01/17/50/137011750.db2.gz ASJXUPBMOUCESS-HIFRSBDPSA-N 3 2 282.432 0.210 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000261606557 137011751 /nfs/dbraw/zinc/01/17/51/137011751.db2.gz ASJXUPBMOUCESS-HIFRSBDPSA-N 3 2 282.432 0.210 20 0 CCADLP Cc1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)nc1 ZINC000261625851 137012814 /nfs/dbraw/zinc/01/28/14/137012814.db2.gz VFOUPELFJOCBRR-OAHLLOKOSA-N 2 2 260.385 0.870 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000261660773 137014645 /nfs/dbraw/zinc/01/46/45/137014645.db2.gz ZBVONABQVOQGEQ-RDBSUJKOSA-N 2 2 265.401 0.786 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000261660773 137014646 /nfs/dbraw/zinc/01/46/46/137014646.db2.gz ZBVONABQVOQGEQ-RDBSUJKOSA-N 2 2 265.401 0.786 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)Cc1cn2ccccc2[nH+]1 ZINC000262491042 137045027 /nfs/dbraw/zinc/04/50/27/137045027.db2.gz UXRZTGMHOJEGEP-LLVKDONJSA-N 2 2 260.341 0.991 20 0 CCADLP C[C@H](CNC(=O)CCCCCC[NH3+])[NH+]1CCN(C)CC1 ZINC000262659141 137049532 /nfs/dbraw/zinc/04/95/32/137049532.db2.gz WLFRIPZKJMBHAM-CQSZACIVSA-N 2 2 284.448 0.648 20 0 CCADLP COCC[NH+]1CCC(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000262692773 137050487 /nfs/dbraw/zinc/05/04/87/137050487.db2.gz APLJCXAKMANLJK-LLVKDONJSA-N 2 2 291.342 0.211 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262964356 137056291 /nfs/dbraw/zinc/05/62/91/137056291.db2.gz LBYWKVRQVMGICJ-VHSXEESVSA-N 2 2 261.316 0.584 20 0 CCADLP C[C@@H](C(=O)Nc1cccc(F)c1)[NH+]1CCN(CC[NH3+])CC1 ZINC000263027467 137057276 /nfs/dbraw/zinc/05/72/76/137057276.db2.gz ROUORKIMZWCFRM-LBPRGKRZSA-N 2 2 294.374 0.729 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000263128014 137058988 /nfs/dbraw/zinc/05/89/88/137058988.db2.gz BKHGEYRZEXAVSO-ZWNOBZJWSA-N 2 2 250.346 0.944 20 0 CCADLP CN(C)C(=O)c1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)[nH]1 ZINC000261764079 137018849 /nfs/dbraw/zinc/01/88/49/137018849.db2.gz LXKOGEVLAUTIFA-CQSZACIVSA-N 2 2 264.373 0.887 20 0 CCADLP CN(C)C(=O)c1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)[nH]1 ZINC000261764079 137018850 /nfs/dbraw/zinc/01/88/50/137018850.db2.gz LXKOGEVLAUTIFA-CQSZACIVSA-N 2 2 264.373 0.887 20 0 CCADLP C[C@H]([NH3+])CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000261778589 137019592 /nfs/dbraw/zinc/01/95/92/137019592.db2.gz JIASZDLDQVAOHC-NWDGAFQWSA-N 2 2 255.362 0.047 20 0 CCADLP C[C@H]([NH3+])CC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000261936545 137026403 /nfs/dbraw/zinc/02/64/03/137026403.db2.gz ZOEUEKKWQGSLET-JTQLQIEISA-N 2 2 250.346 0.615 20 0 CCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000262227028 137031771 /nfs/dbraw/zinc/03/17/71/137031771.db2.gz LMSWMSXEDUKHCT-LBPRGKRZSA-N 2 2 274.368 0.506 20 0 CCADLP [NH3+]Cc1nc(CN2CCCC[C@@H]2C[NH+]2CCOCC2)no1 ZINC000262243934 137032719 /nfs/dbraw/zinc/03/27/19/137032719.db2.gz PIBHNJVLFCJLSP-GFCCVEGCSA-N 2 2 295.387 0.215 20 0 CCADLP O=C(CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1)N1CC[NH2+]CC1 ZINC000262284362 137035663 /nfs/dbraw/zinc/03/56/63/137035663.db2.gz ZNSJXKIENUAUAQ-UHFFFAOYSA-N 3 2 291.399 0.411 20 0 CCADLP O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)C1C[NH2+]C1 ZINC000263251446 137061879 /nfs/dbraw/zinc/06/18/79/137061879.db2.gz DYWCIWFTUUPAMR-HNNXBMFYSA-N 2 2 289.379 0.396 20 0 CCADLP C[C@@H](O)C1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000311084939 137073999 /nfs/dbraw/zinc/07/39/99/137073999.db2.gz OJMNOHBLTDVNKC-BXUZGUMPSA-N 2 2 256.390 0.534 20 0 CCADLP C[C@@H](O)C1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000311084939 137074000 /nfs/dbraw/zinc/07/40/00/137074000.db2.gz OJMNOHBLTDVNKC-BXUZGUMPSA-N 2 2 256.390 0.534 20 0 CCADLP C[C@@H]1COCC[NH+]1C/C=C\C[N@H+]1CCOC[C@H]1C ZINC000340156151 137084575 /nfs/dbraw/zinc/08/45/75/137084575.db2.gz AKZUFKAVQSKPFH-JHZNUDOXSA-N 2 2 254.374 0.984 20 0 CCADLP C[C@@H]1COCC[NH+]1C/C=C\C[N@@H+]1CCOC[C@H]1C ZINC000340156151 137084576 /nfs/dbraw/zinc/08/45/76/137084576.db2.gz AKZUFKAVQSKPFH-JHZNUDOXSA-N 2 2 254.374 0.984 20 0 CCADLP CNC(=O)N[C@@H]1CC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000342380443 137090343 /nfs/dbraw/zinc/09/03/43/137090343.db2.gz SNMFRTHKSMOYFX-LLVKDONJSA-N 2 2 251.334 0.195 20 0 CCADLP CNC(=O)N[C@@H]1CC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000342380443 137090344 /nfs/dbraw/zinc/09/03/44/137090344.db2.gz SNMFRTHKSMOYFX-LLVKDONJSA-N 2 2 251.334 0.195 20 0 CCADLP C[N@H+](C[C@@H](O)Cc1ccccc1)C1CC[NH+](CCO)CC1 ZINC000343133474 137117512 /nfs/dbraw/zinc/11/75/12/137117512.db2.gz OQWRWHBLWQJUCG-KRWDZBQOSA-N 2 2 292.423 0.979 20 0 CCADLP C[N@@H+](C[C@@H](O)Cc1ccccc1)C1CC[NH+](CCO)CC1 ZINC000343133474 137117513 /nfs/dbraw/zinc/11/75/13/137117513.db2.gz OQWRWHBLWQJUCG-KRWDZBQOSA-N 2 2 292.423 0.979 20 0 CCADLP C[N@H+](CC(=O)NCCc1[nH]cc[nH+]1)[C@H]1CCSC1 ZINC000343578491 137143338 /nfs/dbraw/zinc/14/33/38/137143338.db2.gz KSSHKLGSTYNYCK-JTQLQIEISA-N 2 2 268.386 0.506 20 0 CCADLP C[N@@H+](CC(=O)NCCc1[nH]cc[nH+]1)[C@H]1CCSC1 ZINC000343578491 137143339 /nfs/dbraw/zinc/14/33/39/137143339.db2.gz KSSHKLGSTYNYCK-JTQLQIEISA-N 2 2 268.386 0.506 20 0 CCADLP CC[C@H](C)C[N@H+](CCN1CC[NH+](C)CC1)CC(=O)OC ZINC000343621124 137145845 /nfs/dbraw/zinc/14/58/45/137145845.db2.gz LWGIOJLZGWRCDQ-AWEZNQCLSA-N 2 2 285.432 0.755 20 0 CCADLP CC[C@H](C)C[N@@H+](CCN1CC[NH+](C)CC1)CC(=O)OC ZINC000343621124 137145846 /nfs/dbraw/zinc/14/58/46/137145846.db2.gz LWGIOJLZGWRCDQ-AWEZNQCLSA-N 2 2 285.432 0.755 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000343673689 137148458 /nfs/dbraw/zinc/14/84/58/137148458.db2.gz RTUVDIDEXLGOCT-UHFFFAOYSA-N 2 2 283.416 0.651 20 0 CCADLP C[C@H](C[NH+](C)C)Nc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000343810937 137158812 /nfs/dbraw/zinc/15/88/12/137158812.db2.gz UHSMDDJUZCFVMV-SECBINFHSA-N 2 2 261.333 0.437 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NCC[N@H+]2CCOC[C@@H]2C)CCC[NH+]1C ZINC000343881005 137163953 /nfs/dbraw/zinc/16/39/53/137163953.db2.gz XZJGUMXVDMAQFZ-MJBXVCDLSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NCC[N@@H+]2CCOC[C@@H]2C)CCC[NH+]1C ZINC000343881005 137163954 /nfs/dbraw/zinc/16/39/54/137163954.db2.gz XZJGUMXVDMAQFZ-MJBXVCDLSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NCC[NH+]2CCOC[C@@H]2C)CCC[N@@H+]1C ZINC000343881005 137163955 /nfs/dbraw/zinc/16/39/55/137163955.db2.gz XZJGUMXVDMAQFZ-MJBXVCDLSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NCC[NH+]2CCOC[C@@H]2C)CCC[N@H+]1C ZINC000343881005 137163956 /nfs/dbraw/zinc/16/39/56/137163956.db2.gz XZJGUMXVDMAQFZ-MJBXVCDLSA-N 2 2 298.431 0.489 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCN2CCN(C(C)=O)CC2)C1 ZINC000343274415 137123931 /nfs/dbraw/zinc/12/39/31/137123931.db2.gz ASSYQVODNSSFME-UKRRQHHQSA-N 2 2 282.432 0.080 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCN2CCN(C(C)=O)CC2)C1 ZINC000343274415 137123932 /nfs/dbraw/zinc/12/39/32/137123932.db2.gz ASSYQVODNSSFME-UKRRQHHQSA-N 2 2 282.432 0.080 20 0 CCADLP Cn1cc(CN2CC[NH+](CCCn3cc[nH+]c3)CC2)cn1 ZINC000343317447 137128061 /nfs/dbraw/zinc/12/80/61/137128061.db2.gz VLKYYPFZRDICGT-UHFFFAOYSA-N 2 2 288.399 0.825 20 0 CCADLP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCSCC1 ZINC000343326384 137128211 /nfs/dbraw/zinc/12/82/11/137128211.db2.gz WXYQSLHWZLGUSP-NWDGAFQWSA-N 2 2 283.441 0.777 20 0 CCADLP C[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[NH+]1CCSCC1 ZINC000343326384 137128212 /nfs/dbraw/zinc/12/82/12/137128212.db2.gz WXYQSLHWZLGUSP-NWDGAFQWSA-N 2 2 283.441 0.777 20 0 CCADLP C[NH+]1CCC(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000343349036 137129942 /nfs/dbraw/zinc/12/99/42/137129942.db2.gz XXFPGMZWNZTZBK-CYBMUJFWSA-N 2 2 276.384 0.904 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)NCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000344179475 137181617 /nfs/dbraw/zinc/18/16/17/137181617.db2.gz FSHGTSFXJRBZHH-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)NCC[NH+]2CCOCC2)CC[N@H+]1C ZINC000344179475 137181618 /nfs/dbraw/zinc/18/16/18/137181618.db2.gz FSHGTSFXJRBZHH-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000344219690 137184364 /nfs/dbraw/zinc/18/43/64/137184364.db2.gz GHKJRMMABGCXLU-ILXRZTDVSA-N 2 2 296.459 0.469 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000344219690 137184365 /nfs/dbraw/zinc/18/43/65/137184365.db2.gz GHKJRMMABGCXLU-ILXRZTDVSA-N 2 2 296.459 0.469 20 0 CCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@H]1[NH2+]CCO[C@H]1C ZINC000344488077 137197252 /nfs/dbraw/zinc/19/72/52/137197252.db2.gz HDSAXPIQFJWNBQ-MDZLAQPJSA-N 2 2 280.372 0.321 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)NCCC[NH+]1CCCC1 ZINC000344456164 137195833 /nfs/dbraw/zinc/19/58/33/137195833.db2.gz OVBBCFGMYSNFPU-UHFFFAOYSA-N 2 2 298.431 0.045 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NCCC[NH+]1CCCC1 ZINC000344456164 137195834 /nfs/dbraw/zinc/19/58/34/137195834.db2.gz OVBBCFGMYSNFPU-UHFFFAOYSA-N 2 2 298.431 0.045 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)[C@H]1[NH2+]CCO[C@H]1C ZINC000344470221 137196285 /nfs/dbraw/zinc/19/62/85/137196285.db2.gz GNCDYMCSWWSFKK-JQWIXIFHSA-N 2 2 266.345 0.075 20 0 CCADLP O=C([C@@H]1CCCC[NH2+]1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000013479559 348026143 /nfs/dbraw/zinc/02/61/43/348026143.db2.gz GUHWAALAWWMKDC-HNNXBMFYSA-N 2 2 288.395 0.868 20 0 CCADLP CCC[NH+]1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1 ZINC000019899777 348073909 /nfs/dbraw/zinc/07/39/09/348073909.db2.gz QXBIWCHFYBFPIJ-LBPRGKRZSA-N 2 2 260.403 0.638 20 0 CCADLP CCC[NH+]1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000019899775 348074062 /nfs/dbraw/zinc/07/40/62/348074062.db2.gz QXBIWCHFYBFPIJ-GFCCVEGCSA-N 2 2 260.403 0.638 20 0 CCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cccnc1 ZINC000035125508 348157741 /nfs/dbraw/zinc/15/77/41/348157741.db2.gz PWZYJVLHHZHKAD-LBPRGKRZSA-N 2 2 262.357 0.506 20 0 CCADLP [NH3+]CCCN1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000037037930 348182160 /nfs/dbraw/zinc/18/21/60/348182160.db2.gz WETMJSYREBRIBL-UHFFFAOYSA-N 2 2 282.432 0.355 20 0 CCADLP [NH3+]CCC[NH+]1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000037037930 348182165 /nfs/dbraw/zinc/18/21/65/348182165.db2.gz WETMJSYREBRIBL-UHFFFAOYSA-N 2 2 282.432 0.355 20 0 CCADLP Cc1[nH]c2ccc(NC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)cc2[nH+]1 ZINC000037042056 348183741 /nfs/dbraw/zinc/18/37/41/348183741.db2.gz KPABCFAQPCYCBB-SKDRFNHKSA-N 2 2 260.297 0.533 20 0 CCADLP CC(C)(C[NH3+])NC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000262557028 535071134 /nfs/dbraw/zinc/07/11/34/535071134.db2.gz ZLPCZKMACSPPHU-UHFFFAOYSA-N 2 2 259.313 0.734 20 0 CCADLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cocn2)CC1 ZINC000345155543 137236894 /nfs/dbraw/zinc/23/68/94/137236894.db2.gz VCOZXPJIFQQHHE-UHFFFAOYSA-N 2 2 280.372 0.564 20 0 CCADLP [NH3+]CC1CC[NH+](CC(=O)Nc2nccs2)CC1 ZINC000044513632 348321124 /nfs/dbraw/zinc/32/11/24/348321124.db2.gz BTCFVTFZENETNA-UHFFFAOYSA-N 2 2 254.359 0.752 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000346544332 137292224 /nfs/dbraw/zinc/29/22/24/137292224.db2.gz JMBQMOQPKLEKJC-LBPRGKRZSA-N 2 2 262.357 0.858 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000346544332 137292225 /nfs/dbraw/zinc/29/22/25/137292225.db2.gz JMBQMOQPKLEKJC-LBPRGKRZSA-N 2 2 262.357 0.858 20 0 CCADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nnnn2C)[C@@H](C)C1 ZINC000346557872 137292461 /nfs/dbraw/zinc/29/24/61/137292461.db2.gz IVXXACRJQNHMRN-STQMWFEESA-N 2 2 296.419 0.437 20 0 CCADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nnnn2C)[C@@H](C)C1 ZINC000346557872 137292462 /nfs/dbraw/zinc/29/24/62/137292462.db2.gz IVXXACRJQNHMRN-STQMWFEESA-N 2 2 296.419 0.437 20 0 CCADLP CC[N@@H+]1C[C@@H](C)N(CC[NH+]2CCOCC2)C[C@@H]1C ZINC000346192619 137272339 /nfs/dbraw/zinc/27/23/39/137272339.db2.gz POSGWXOEVBDIFK-UONOGXRCSA-N 2 2 255.406 0.733 20 0 CCADLP CC[N@H+]1C[C@@H](C)N(CC[NH+]2CCOCC2)C[C@@H]1C ZINC000346192619 137272340 /nfs/dbraw/zinc/27/23/40/137272340.db2.gz POSGWXOEVBDIFK-UONOGXRCSA-N 2 2 255.406 0.733 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2cccnc2)CC1 ZINC000346981396 137314183 /nfs/dbraw/zinc/31/41/83/137314183.db2.gz LMZOYIHBIZOLTD-OAHLLOKOSA-N 2 2 288.395 0.993 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2cccnc2)CC1 ZINC000346981396 137314184 /nfs/dbraw/zinc/31/41/84/137314184.db2.gz LMZOYIHBIZOLTD-OAHLLOKOSA-N 2 2 288.395 0.993 20 0 CCADLP [NH3+]CC1(C(=O)NCCCn2cc[nH+]c2)CCCC1 ZINC000044762390 348325888 /nfs/dbraw/zinc/32/58/88/348325888.db2.gz OSEFTRNVXGZQPN-UHFFFAOYSA-N 2 2 250.346 0.909 20 0 CCADLP CC(C)([NH3+])C[N@H+](CCO)CCOCC(F)(F)F ZINC000346840733 137307837 /nfs/dbraw/zinc/30/78/37/137307837.db2.gz GPLXIQSTAGUCHK-UHFFFAOYSA-N 2 2 258.284 0.597 20 0 CCADLP CC(C)([NH3+])C[N@@H+](CCO)CCOCC(F)(F)F ZINC000346840733 137307838 /nfs/dbraw/zinc/30/78/38/137307838.db2.gz GPLXIQSTAGUCHK-UHFFFAOYSA-N 2 2 258.284 0.597 20 0 CCADLP C[C@H]1C[N@H+](Cc2ccc(C(=O)N(C)C)[nH]2)CC[C@H]1[NH3+] ZINC000347147841 137322509 /nfs/dbraw/zinc/32/25/09/137322509.db2.gz YRDDHKNQYKHQST-CMPLNLGQSA-N 2 2 264.373 0.886 20 0 CCADLP C[C@H]1C[N@@H+](Cc2ccc(C(=O)N(C)C)[nH]2)CC[C@H]1[NH3+] ZINC000347147841 137322510 /nfs/dbraw/zinc/32/25/10/137322510.db2.gz YRDDHKNQYKHQST-CMPLNLGQSA-N 2 2 264.373 0.886 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000347673158 137349269 /nfs/dbraw/zinc/34/92/69/137349269.db2.gz CDFTZBNQJOLXPE-KBPBESRZSA-N 3 2 254.422 0.164 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000347673158 137349270 /nfs/dbraw/zinc/34/92/70/137349270.db2.gz CDFTZBNQJOLXPE-KBPBESRZSA-N 3 2 254.422 0.164 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000347707647 137351719 /nfs/dbraw/zinc/35/17/19/137351719.db2.gz XVOLDZHCDLWVTQ-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000347707647 137351720 /nfs/dbraw/zinc/35/17/20/137351720.db2.gz XVOLDZHCDLWVTQ-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCCN2CC[NH+](CC)CC2)C1 ZINC000347717045 137352244 /nfs/dbraw/zinc/35/22/44/137352244.db2.gz IZUSQXGOKBKRLG-CVEARBPZSA-N 3 2 282.476 0.944 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCCN2CC[NH+](CC)CC2)C1 ZINC000347717045 137352245 /nfs/dbraw/zinc/35/22/45/137352245.db2.gz IZUSQXGOKBKRLG-CVEARBPZSA-N 3 2 282.476 0.944 20 0 CCADLP CC(C)NC(=O)CN1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000347743313 137353971 /nfs/dbraw/zinc/35/39/71/137353971.db2.gz RWBUVGHDTNCCQA-UHFFFAOYSA-N 2 2 293.415 0.105 20 0 CCADLP Cc1cnn(C)c1C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000347789171 137356913 /nfs/dbraw/zinc/35/69/13/137356913.db2.gz SXVDEFFQFVODGA-UHFFFAOYSA-N 2 2 266.389 0.617 20 0 CCADLP Cc1cnn(C)c1C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000347789171 137356914 /nfs/dbraw/zinc/35/69/14/137356914.db2.gz SXVDEFFQFVODGA-UHFFFAOYSA-N 2 2 266.389 0.617 20 0 CCADLP O=C(CCOC1C[NH2+]C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000349024487 137384016 /nfs/dbraw/zinc/38/40/16/137384016.db2.gz FIFSLXWUWSIEON-UHFFFAOYSA-N 2 2 278.356 0.494 20 0 CCADLP C[C@@H](C[NH3+])C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000054338378 348551851 /nfs/dbraw/zinc/55/18/51/348551851.db2.gz ODWBLAJPUIMPMW-NSHDSACASA-N 2 2 262.357 0.761 20 0 CCADLP O=C1CCC(=O)N1CC[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063190096 348682204 /nfs/dbraw/zinc/68/22/04/348682204.db2.gz FEHAPUHLRUWBQQ-STQMWFEESA-N 2 2 279.384 0.742 20 0 CCADLP O=C1CCC(=O)N1CC[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063190096 348682207 /nfs/dbraw/zinc/68/22/07/348682207.db2.gz FEHAPUHLRUWBQQ-STQMWFEESA-N 2 2 279.384 0.742 20 0 CCADLP CC(C)[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH+]1CCOCC1 ZINC000067571968 348777306 /nfs/dbraw/zinc/77/73/06/348777306.db2.gz UZNYGYCGHGKDPF-AWEZNQCLSA-N 2 2 285.432 0.800 20 0 CCADLP CC(C)[C@H](CNC(=O)C[N@@H+](C)C(C)C)[NH+]1CCOCC1 ZINC000067571968 348777309 /nfs/dbraw/zinc/77/73/09/348777309.db2.gz UZNYGYCGHGKDPF-AWEZNQCLSA-N 2 2 285.432 0.800 20 0 CCADLP O=S1(=O)CCC[C@@H]([NH2+]CCC[NH+]2CCCC2)C1 ZINC000069135420 348832272 /nfs/dbraw/zinc/83/22/72/348832272.db2.gz MNMNWLXMPDNFQV-GFCCVEGCSA-N 2 2 260.403 0.639 20 0 CCADLP Cn1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cn1 ZINC000069803382 348861236 /nfs/dbraw/zinc/86/12/36/348861236.db2.gz MZFZMGOSXHVAET-CQSZACIVSA-N 2 2 278.400 0.964 20 0 CCADLP Cn1cc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cn1 ZINC000069803382 348861238 /nfs/dbraw/zinc/86/12/38/348861238.db2.gz MZFZMGOSXHVAET-CQSZACIVSA-N 2 2 278.400 0.964 20 0 CCADLP CC(C)NC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069857430 348863371 /nfs/dbraw/zinc/86/33/71/348863371.db2.gz RNWXIMWNYOGCGR-OAHLLOKOSA-N 2 2 297.443 0.945 20 0 CCADLP CC(C)NC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069857430 348863372 /nfs/dbraw/zinc/86/33/72/348863372.db2.gz RNWXIMWNYOGCGR-OAHLLOKOSA-N 2 2 297.443 0.945 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CC2CC[NH+](C)CC2)n1C ZINC000070143955 348873506 /nfs/dbraw/zinc/87/35/06/348873506.db2.gz UEGGKYPUHDDFBI-UHFFFAOYSA-N 3 2 265.405 0.918 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000070253019 348881445 /nfs/dbraw/zinc/88/14/45/348881445.db2.gz QSVUWFZWMKKGMI-QWHCGFSZSA-N 2 2 281.400 0.213 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000074391284 348989391 /nfs/dbraw/zinc/98/93/91/348989391.db2.gz IWPCWASLMKTUQH-UHFFFAOYSA-N 2 2 280.372 0.452 20 0 CCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000078758808 349152347 /nfs/dbraw/zinc/15/23/47/349152347.db2.gz MRPYXATZYKZKOI-RYUDHWBXSA-N 2 2 285.388 0.032 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357079349 535091747 /nfs/dbraw/zinc/09/17/47/535091747.db2.gz SDZMDDGVGBREPS-OLZOCXBDSA-N 2 2 274.430 0.741 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357079349 535091754 /nfs/dbraw/zinc/09/17/54/535091754.db2.gz SDZMDDGVGBREPS-OLZOCXBDSA-N 2 2 274.430 0.741 20 0 CCADLP C[NH+]1CCC(NC(=O)NCCn2cc[nH+]c2)CC1 ZINC000079206050 349171108 /nfs/dbraw/zinc/17/11/08/349171108.db2.gz ZCZPKFAYPXYRNL-UHFFFAOYSA-N 2 2 251.334 0.277 20 0 CCADLP COC(=O)[C@](C)(O)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000080210122 349204390 /nfs/dbraw/zinc/20/43/90/349204390.db2.gz NVTDIWIEQIBLRA-OAHLLOKOSA-N 2 2 284.400 0.861 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC(=O)NC2CC2)[C@H](C)C1 ZINC000081095831 349246270 /nfs/dbraw/zinc/24/62/70/349246270.db2.gz QYOUQYAFZYQSQL-DGCLKSJQSA-N 2 2 296.415 0.637 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC(=O)NC2CC2)[C@H](C)C1 ZINC000081095831 349246273 /nfs/dbraw/zinc/24/62/73/349246273.db2.gz QYOUQYAFZYQSQL-DGCLKSJQSA-N 2 2 296.415 0.637 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC(=O)NC2CC2)[C@H](C)C1 ZINC000081095831 349246277 /nfs/dbraw/zinc/24/62/77/349246277.db2.gz QYOUQYAFZYQSQL-DGCLKSJQSA-N 2 2 296.415 0.637 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC(=O)NC2CC2)[C@H](C)C1 ZINC000081095831 349246279 /nfs/dbraw/zinc/24/62/79/349246279.db2.gz QYOUQYAFZYQSQL-DGCLKSJQSA-N 2 2 296.415 0.637 20 0 CCADLP C[C@H](C(=O)N1CC[NH+](CCO)CC1)[NH+]1CCCCCC1 ZINC000087083511 349346893 /nfs/dbraw/zinc/34/68/93/349346893.db2.gz GKWUBNMGEHPMRF-CQSZACIVSA-N 2 2 283.416 0.387 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCc2ccccc2)[C@H](C[NH3+])C1 ZINC000120758230 350003661 /nfs/dbraw/zinc/00/36/61/350003661.db2.gz ABLHQEXANQZVGK-CQSZACIVSA-N 2 2 261.369 0.721 20 0 CCADLP C[N@H+]1CCN(C(=O)CCc2ccccc2)[C@H](C[NH3+])C1 ZINC000120758230 350003668 /nfs/dbraw/zinc/00/36/68/350003668.db2.gz ABLHQEXANQZVGK-CQSZACIVSA-N 2 2 261.369 0.721 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+]2CCc3ccccc3CC2)CC1 ZINC000121094365 350022513 /nfs/dbraw/zinc/02/25/13/350022513.db2.gz JEZCYCRKXIMNJM-UHFFFAOYSA-N 2 2 287.407 0.861 20 0 CCADLP COC(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123618906 350079285 /nfs/dbraw/zinc/07/92/85/350079285.db2.gz UNFZGKOEKRLGFV-LLVKDONJSA-N 2 2 251.330 0.848 20 0 CCADLP COC(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123618906 350079287 /nfs/dbraw/zinc/07/92/87/350079287.db2.gz UNFZGKOEKRLGFV-LLVKDONJSA-N 2 2 251.330 0.848 20 0 CCADLP C[N@@H+]1CCN(C(=O)CC[C@@H]2CCCCO2)[C@@H](C[NH3+])C1 ZINC000122579929 350067110 /nfs/dbraw/zinc/06/71/10/350067110.db2.gz YEUXQKGHCMOPOF-STQMWFEESA-N 2 2 269.389 0.437 20 0 CCADLP C[N@H+]1CCN(C(=O)CC[C@@H]2CCCCO2)[C@@H](C[NH3+])C1 ZINC000122579929 350067111 /nfs/dbraw/zinc/06/71/11/350067111.db2.gz YEUXQKGHCMOPOF-STQMWFEESA-N 2 2 269.389 0.437 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)c1csc(C[NH3+])n1 ZINC000090930331 180063918 /nfs/dbraw/zinc/06/39/18/180063918.db2.gz OLWOKUNQOPIVSD-QMMMGPOBSA-N 2 2 265.342 0.617 20 0 CCADLP O=C(C[C@H]1COCC[NH2+]1)N1CCN(c2cccc[nH+]2)CC1 ZINC000130120431 350230562 /nfs/dbraw/zinc/23/05/62/350230562.db2.gz MNDOYEBXUNYLKH-ZDUSSCGKSA-N 2 2 290.367 0.109 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)no1 ZINC000131735911 350285030 /nfs/dbraw/zinc/28/50/30/350285030.db2.gz TZRCMEDHASKFCV-WCBMZHEXSA-N 2 2 252.318 0.591 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)no1 ZINC000131735911 350285032 /nfs/dbraw/zinc/28/50/32/350285032.db2.gz TZRCMEDHASKFCV-WCBMZHEXSA-N 2 2 252.318 0.591 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000131366556 350273662 /nfs/dbraw/zinc/27/36/62/350273662.db2.gz UBSXBWBARRATDJ-AWEZNQCLSA-N 2 2 262.357 0.965 20 0 CCADLP C[C@]([NH2+]CCn1cc[nH+]c1)(C(N)=O)c1ccccc1 ZINC000131932522 350291757 /nfs/dbraw/zinc/29/17/57/350291757.db2.gz UTLUNJKHHWLVBS-CQSZACIVSA-N 2 2 258.325 0.873 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)NC[C@@H]1CCCO1 ZINC000133515686 350338627 /nfs/dbraw/zinc/33/86/27/350338627.db2.gz OYDAJFXJHDDEHH-STQMWFEESA-N 2 2 271.405 0.587 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)NC[C@@H]1CCCO1 ZINC000133515686 350338630 /nfs/dbraw/zinc/33/86/30/350338630.db2.gz OYDAJFXJHDDEHH-STQMWFEESA-N 2 2 271.405 0.587 20 0 CCADLP [NH3+][C@H]1CC[N@H+](CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000135294528 350391163 /nfs/dbraw/zinc/39/11/63/350391163.db2.gz WLSPOUYORIVYFK-NSHDSACASA-N 2 2 273.336 0.706 20 0 CCADLP [NH3+][C@H]1CC[N@@H+](CCCN2C(=O)c3ccccc3C2=O)C1 ZINC000135294528 350391165 /nfs/dbraw/zinc/39/11/65/350391165.db2.gz WLSPOUYORIVYFK-NSHDSACASA-N 2 2 273.336 0.706 20 0 CCADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000105896309 186086456 /nfs/dbraw/zinc/08/64/56/186086456.db2.gz QONFRISIHPZHJR-QWRGUYRKSA-N 2 2 293.371 0.666 20 0 CCADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000105896309 186086457 /nfs/dbraw/zinc/08/64/57/186086457.db2.gz QONFRISIHPZHJR-QWRGUYRKSA-N 2 2 293.371 0.666 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)C(=O)NC3CC3)C2)CC1 ZINC000107371060 186171608 /nfs/dbraw/zinc/17/16/08/186171608.db2.gz KPEUZDMIOMUMEC-ZFWWWQNUSA-N 2 2 294.443 0.365 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)C(=O)NC3CC3)C2)CC1 ZINC000107371060 186171610 /nfs/dbraw/zinc/17/16/10/186171610.db2.gz KPEUZDMIOMUMEC-ZFWWWQNUSA-N 2 2 294.443 0.365 20 0 CCADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCCCc1ccccc1 ZINC000107576536 186179089 /nfs/dbraw/zinc/17/90/89/186179089.db2.gz SCTGWIHVZZKHKZ-IYBDPMFKSA-N 2 2 287.407 0.887 20 0 CCADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCCCc1ccccc1 ZINC000107576536 186179091 /nfs/dbraw/zinc/17/90/91/186179091.db2.gz SCTGWIHVZZKHKZ-IYBDPMFKSA-N 2 2 287.407 0.887 20 0 CCADLP CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](CCOCC)CC1 ZINC000154534873 350591329 /nfs/dbraw/zinc/59/13/29/350591329.db2.gz PPEWKBZJNCZHDR-CYBMUJFWSA-N 2 2 271.405 0.685 20 0 CCADLP COc1c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(C)nn1C ZINC000162957010 350758054 /nfs/dbraw/zinc/75/80/54/350758054.db2.gz ITYHBVJOBOLGLA-PHIMTYICSA-N 2 2 250.346 0.388 20 0 CCADLP COc1c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(C)nn1C ZINC000162957010 350758057 /nfs/dbraw/zinc/75/80/57/350758057.db2.gz ITYHBVJOBOLGLA-PHIMTYICSA-N 2 2 250.346 0.388 20 0 CCADLP Cc1nsc(N2CC[NH+](CCn3cc[nH+]c3)CC2)n1 ZINC000163152420 350761561 /nfs/dbraw/zinc/76/15/61/350761561.db2.gz JTQDFYSLNCMTNB-UHFFFAOYSA-N 2 2 278.385 0.865 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000161678572 350727774 /nfs/dbraw/zinc/72/77/74/350727774.db2.gz GIJDEANOEKSWPP-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000161678572 350727778 /nfs/dbraw/zinc/72/77/78/350727778.db2.gz GIJDEANOEKSWPP-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP c1cn(CC[N@@H+]2CCC[C@@H]2CN2CCOCC2)c[nH+]1 ZINC000162058136 350735656 /nfs/dbraw/zinc/73/56/56/350735656.db2.gz MVSBUSYJMZFWQG-CQSZACIVSA-N 2 2 264.373 0.680 20 0 CCADLP c1cn(CC[N@H+]2CCC[C@@H]2CN2CCOCC2)c[nH+]1 ZINC000162058136 350735658 /nfs/dbraw/zinc/73/56/58/350735658.db2.gz MVSBUSYJMZFWQG-CQSZACIVSA-N 2 2 264.373 0.680 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)Cc1nnnn1C1CC1 ZINC000162296505 350740194 /nfs/dbraw/zinc/74/01/94/350740194.db2.gz KMTJNXNHVLPNQM-UHFFFAOYSA-N 2 2 261.333 0.727 20 0 CCADLP Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163850175 350774490 /nfs/dbraw/zinc/77/44/90/350774490.db2.gz NLKUZDZECPTZTB-GXFFZTMASA-N 2 2 293.415 0.892 20 0 CCADLP Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000163850175 350774492 /nfs/dbraw/zinc/77/44/92/350774492.db2.gz NLKUZDZECPTZTB-GXFFZTMASA-N 2 2 293.415 0.892 20 0 CCADLP COC1(C(=O)N2CC[NH+](C3CC3)CC2)CC[NH2+]CC1 ZINC000164488403 350779822 /nfs/dbraw/zinc/77/98/22/350779822.db2.gz UDKZFDYHWLZLEV-UHFFFAOYSA-N 2 2 267.373 0.062 20 0 CCADLP CC[C@H]([NH3+])C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000164721238 350782013 /nfs/dbraw/zinc/78/20/13/350782013.db2.gz BZAZGASBBFYKCF-LBPRGKRZSA-N 2 2 278.356 0.272 20 0 CCADLP Cc1ccc(NCCCNC(=O)[C@@H]2COCC[NH2+]2)[nH+]c1 ZINC000168947315 350833716 /nfs/dbraw/zinc/83/37/16/350833716.db2.gz ACKXHUSKCWTUMF-LBPRGKRZSA-N 2 2 278.356 0.297 20 0 CCADLP CNS(=O)(=O)CCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000111222120 186371392 /nfs/dbraw/zinc/37/13/92/186371392.db2.gz KNJHWEQYKSKPAD-UHFFFAOYSA-N 2 2 289.445 0.486 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170829602 350865448 /nfs/dbraw/zinc/86/54/48/350865448.db2.gz JHNPXJAKPJMSFM-ZDUSSCGKSA-N 2 2 291.399 0.993 20 0 CCADLP CCO[C@@H](CC)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000531370832 358459476 /nfs/dbraw/zinc/45/94/76/358459476.db2.gz CLMMLTATMISNEH-AWEZNQCLSA-N 2 2 285.432 0.944 20 0 CCADLP Cc1cccn2c(C[NH2+]CCCNS(C)(=O)=O)c[nH+]c12 ZINC000174254654 351077079 /nfs/dbraw/zinc/07/70/79/351077079.db2.gz WUPBFGFHCSDJET-UHFFFAOYSA-N 2 2 296.396 0.672 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000178763687 351244382 /nfs/dbraw/zinc/24/43/82/351244382.db2.gz DRTVIQLVHCIEMU-LLVKDONJSA-N 2 2 257.378 0.069 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000178763687 351244385 /nfs/dbraw/zinc/24/43/85/351244385.db2.gz DRTVIQLVHCIEMU-LLVKDONJSA-N 2 2 257.378 0.069 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+]([C@@H]3CCNC3=O)CC2)c1 ZINC000178198595 351222569 /nfs/dbraw/zinc/22/25/69/351222569.db2.gz VDQUCMKTZVHIHL-GFCCVEGCSA-N 2 2 276.340 0.101 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)c2c[nH+]ccc2N)CC1 ZINC000188057485 351570165 /nfs/dbraw/zinc/57/01/65/351570165.db2.gz VWFUOPFBLQXYPC-UHFFFAOYSA-N 2 2 278.356 0.458 20 0 CCADLP C[C@H]([C@H](C)NC(=O)c1c[nH+]ccc1N)[NH+]1CCOCC1 ZINC000188181190 351577673 /nfs/dbraw/zinc/57/76/73/351577673.db2.gz ABTLAMYCCLIOKB-WDEREUQCSA-N 2 2 278.356 0.503 20 0 CCADLP C[C@H](NC(=O)c1c[nH+]ccc1N)[C@H](C)[NH+]1CCOCC1 ZINC000188181239 351577760 /nfs/dbraw/zinc/57/77/60/351577760.db2.gz ABTLAMYCCLIOKB-QWRGUYRKSA-N 2 2 278.356 0.503 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123411942 187090845 /nfs/dbraw/zinc/09/08/45/187090845.db2.gz JRPUJPFDUYFYSH-OLZOCXBDSA-N 2 2 299.415 0.422 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123411942 187090846 /nfs/dbraw/zinc/09/08/46/187090846.db2.gz JRPUJPFDUYFYSH-OLZOCXBDSA-N 2 2 299.415 0.422 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123411942 187090847 /nfs/dbraw/zinc/09/08/47/187090847.db2.gz JRPUJPFDUYFYSH-OLZOCXBDSA-N 2 2 299.415 0.422 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123411942 187090848 /nfs/dbraw/zinc/09/08/48/187090848.db2.gz JRPUJPFDUYFYSH-OLZOCXBDSA-N 2 2 299.415 0.422 20 0 CCADLP O=C(NCc1cccnc1-n1cc[nH+]c1)[C@H]1CCC[NH2+]1 ZINC000195153644 351899207 /nfs/dbraw/zinc/89/92/07/351899207.db2.gz CLFFVHLTANDJQV-GFCCVEGCSA-N 2 2 271.324 0.636 20 0 CCADLP CN1CC[N@H+](C)[C@@H](CNC(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000225355730 352002751 /nfs/dbraw/zinc/00/27/51/352002751.db2.gz GBLUOXJUBNZAGC-KBPBESRZSA-N 2 2 282.432 0.128 20 0 CCADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000225355730 352002756 /nfs/dbraw/zinc/00/27/56/352002756.db2.gz GBLUOXJUBNZAGC-KBPBESRZSA-N 2 2 282.432 0.128 20 0 CCADLP Cc1ccc([C@H]([NH3+])C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000228094644 352068265 /nfs/dbraw/zinc/06/82/65/352068265.db2.gz KNWLNZUULVMHIG-GJZGRUSLSA-N 2 2 290.411 0.357 20 0 CCADLP Cc1ccc([C@H]([NH3+])C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000228094644 352068271 /nfs/dbraw/zinc/06/82/71/352068271.db2.gz KNWLNZUULVMHIG-GJZGRUSLSA-N 2 2 290.411 0.357 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226034197 352018717 /nfs/dbraw/zinc/01/87/17/352018717.db2.gz VVFIQVKRKOMRFD-NWDGAFQWSA-N 2 2 284.404 0.672 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226034197 352018720 /nfs/dbraw/zinc/01/87/20/352018720.db2.gz VVFIQVKRKOMRFD-NWDGAFQWSA-N 2 2 284.404 0.672 20 0 CCADLP CC(C)[NH+]1CCC([NH2+]CCS(=O)(=O)N(C)C)CC1 ZINC000230992732 352124277 /nfs/dbraw/zinc/12/42/77/352124277.db2.gz IAORXUXBDJIOFY-UHFFFAOYSA-N 2 2 277.434 0.340 20 0 CCADLP C[C@H](NC(=O)N[C@H]1CCC[NH2+][C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000333436764 299185628 /nfs/dbraw/zinc/18/56/28/299185628.db2.gz VLINWCNJBICXIC-XUXIUFHCSA-N 2 2 298.431 0.535 20 0 CCADLP Nc1[nH+]cnc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1Cl ZINC000236389760 352194091 /nfs/dbraw/zinc/19/40/91/352194091.db2.gz BKWFZJPKCBBFDC-BDAKNGLRSA-N 2 2 283.763 0.987 20 0 CCADLP Nc1[nH+]cnc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1Cl ZINC000236389760 352194095 /nfs/dbraw/zinc/19/40/95/352194095.db2.gz BKWFZJPKCBBFDC-BDAKNGLRSA-N 2 2 283.763 0.987 20 0 CCADLP C[NH2+]CC1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000655413995 412562606 /nfs/dbraw/zinc/56/26/06/412562606.db2.gz CJLDZPLBKSNOID-ZDUSSCGKSA-N 2 2 276.384 0.904 20 0 CCADLP CCc1nc(C)c(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)o1 ZINC000603431345 363129502 /nfs/dbraw/zinc/12/95/02/363129502.db2.gz WFDFYLZKUBCJHX-WDEREUQCSA-N 2 2 278.356 0.289 20 0 CCADLP CCc1nc(C)c(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)o1 ZINC000603431345 363129506 /nfs/dbraw/zinc/12/95/06/363129506.db2.gz WFDFYLZKUBCJHX-WDEREUQCSA-N 2 2 278.356 0.289 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CC12CC[NH2+]CC2)[NH+]1CCOCC1 ZINC000237593688 352273579 /nfs/dbraw/zinc/27/35/79/352273579.db2.gz SYELBJMYKXVWMS-QWHCGFSZSA-N 2 2 281.400 0.213 20 0 CCADLP O=C(CC1CC[NH2+]CC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000238127453 352298982 /nfs/dbraw/zinc/29/89/82/352298982.db2.gz UXACCAPDWDGMPS-OAHLLOKOSA-N 2 2 295.427 0.699 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CCO1 ZINC000246201842 352353398 /nfs/dbraw/zinc/35/33/98/352353398.db2.gz DZZSUVPYUGMLQE-CHWSQXEVSA-N 2 2 283.416 0.731 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CCO1 ZINC000246201842 352353401 /nfs/dbraw/zinc/35/34/01/352353401.db2.gz DZZSUVPYUGMLQE-CHWSQXEVSA-N 2 2 283.416 0.731 20 0 CCADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NC[C@H]2CCCO2)C1 ZINC000245445946 352322505 /nfs/dbraw/zinc/32/25/05/352322505.db2.gz KTATZYPNIVVYRQ-QLFBSQMISA-N 2 2 297.443 0.944 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NC[C@H]2CCCO2)C1 ZINC000245445946 352322509 /nfs/dbraw/zinc/32/25/09/352322509.db2.gz KTATZYPNIVVYRQ-QLFBSQMISA-N 2 2 297.443 0.944 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC[C@H]2CCCO2)C1 ZINC000245445946 352322515 /nfs/dbraw/zinc/32/25/15/352322515.db2.gz KTATZYPNIVVYRQ-QLFBSQMISA-N 2 2 297.443 0.944 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)NC[C@H]2CCCO2)C1 ZINC000245445946 352322519 /nfs/dbraw/zinc/32/25/19/352322519.db2.gz KTATZYPNIVVYRQ-QLFBSQMISA-N 2 2 297.443 0.944 20 0 CCADLP c1cn(CC[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)c[nH+]1 ZINC000245579956 352329607 /nfs/dbraw/zinc/32/96/07/352329607.db2.gz CBEUFFLFOFTDGF-OLZOCXBDSA-N 2 2 251.330 0.763 20 0 CCADLP c1cn(CC[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)c[nH+]1 ZINC000245579956 352329610 /nfs/dbraw/zinc/32/96/10/352329610.db2.gz CBEUFFLFOFTDGF-OLZOCXBDSA-N 2 2 251.330 0.763 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246139659 352349971 /nfs/dbraw/zinc/34/99/71/352349971.db2.gz DFWNBKJJZWMBCL-CABCVRRESA-N 2 2 297.443 0.945 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246139659 352349975 /nfs/dbraw/zinc/34/99/75/352349975.db2.gz DFWNBKJJZWMBCL-CABCVRRESA-N 2 2 297.443 0.945 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000418286089 234052338 /nfs/dbraw/zinc/05/23/38/234052338.db2.gz XRJMZJOMOBUDID-DGCLKSJQSA-N 2 2 279.388 0.779 20 0 CCADLP CCOC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000247060715 352396561 /nfs/dbraw/zinc/39/65/61/352396561.db2.gz WCXRJUHMWJRPAK-KBPBESRZSA-N 2 2 272.389 0.038 20 0 CCADLP CCOC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000247060715 352396565 /nfs/dbraw/zinc/39/65/65/352396565.db2.gz WCXRJUHMWJRPAK-KBPBESRZSA-N 2 2 272.389 0.038 20 0 CCADLP C[C@@](C[NH3+])(NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000655416103 412564726 /nfs/dbraw/zinc/56/47/26/412564726.db2.gz WMQGRRYZNUPWQQ-YGRLFVJLSA-N 2 2 262.357 0.689 20 0 CCADLP C[C@H](CN1CCOCC1)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000252713030 352523763 /nfs/dbraw/zinc/52/37/63/352523763.db2.gz OCGVDRHZYAGFEF-HZSPNIEDSA-N 2 2 267.417 0.922 20 0 CCADLP C[C@H](CN1CCOCC1)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000252713030 352523766 /nfs/dbraw/zinc/52/37/66/352523766.db2.gz OCGVDRHZYAGFEF-HZSPNIEDSA-N 2 2 267.417 0.922 20 0 CCADLP CCOC[C@H](O)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000354855589 137596771 /nfs/dbraw/zinc/59/67/71/137596771.db2.gz SHGVHKMMZVLUHC-CQSZACIVSA-N 2 2 256.390 0.944 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000262701752 352589951 /nfs/dbraw/zinc/58/99/51/352589951.db2.gz IREQHNNKVZYRDC-CQSZACIVSA-N 2 2 271.405 0.731 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000262701752 352589952 /nfs/dbraw/zinc/58/99/52/352589952.db2.gz IREQHNNKVZYRDC-CQSZACIVSA-N 2 2 271.405 0.731 20 0 CCADLP CCOC(=O)Cn1nc(C)c(C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)c1C ZINC000262060569 352574409 /nfs/dbraw/zinc/57/44/09/352574409.db2.gz RCSBHHLFXYFMIS-IINYFYTJSA-N 2 2 294.399 0.842 20 0 CCADLP CCOC(=O)Cn1nc(C)c(C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)c1C ZINC000262060569 352574413 /nfs/dbraw/zinc/57/44/13/352574413.db2.gz RCSBHHLFXYFMIS-IINYFYTJSA-N 2 2 294.399 0.842 20 0 CCADLP CCNC(=O)NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265452910 352639469 /nfs/dbraw/zinc/63/94/69/352639469.db2.gz CPEUUAGFAHJBKQ-UHFFFAOYSA-N 2 2 279.344 0.435 20 0 CCADLP C[C@@H](CC[NH3+])NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000418526457 234153887 /nfs/dbraw/zinc/15/38/87/234153887.db2.gz NBUKLEVIVCJIHJ-LBPRGKRZSA-N 2 2 277.372 0.651 20 0 CCADLP CC[N@H+](CC(=O)N[C@H](C)Cn1cc[nH+]c1)C1CC1 ZINC000269672495 352861790 /nfs/dbraw/zinc/86/17/90/352861790.db2.gz IVCTWDLGYPAIBO-LLVKDONJSA-N 2 2 250.346 0.872 20 0 CCADLP CC[N@@H+](CC(=O)N[C@H](C)Cn1cc[nH+]c1)C1CC1 ZINC000269672495 352861792 /nfs/dbraw/zinc/86/17/92/352861792.db2.gz IVCTWDLGYPAIBO-LLVKDONJSA-N 2 2 250.346 0.872 20 0 CCADLP C[C@@H](C(=O)N(C)Cc1[nH+]ccn1C)[NH+]1CCSCC1 ZINC000269701988 352866343 /nfs/dbraw/zinc/86/63/43/352866343.db2.gz RDYJGCLYVIRHLF-NSHDSACASA-N 2 2 282.413 0.816 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCCn1cc[nH+]c1C ZINC000270580215 352951187 /nfs/dbraw/zinc/95/11/87/352951187.db2.gz COOLKGPBHJCYBM-NEPJUHHUSA-N 2 2 267.329 0.190 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCCn1cc[nH+]c1C ZINC000270580215 352951191 /nfs/dbraw/zinc/95/11/91/352951191.db2.gz COOLKGPBHJCYBM-NEPJUHHUSA-N 2 2 267.329 0.190 20 0 CCADLP Cc1cc(C)c(CNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)c[nH+]1 ZINC000418890534 234253773 /nfs/dbraw/zinc/25/37/73/234253773.db2.gz RVDYVDSDJGAOAW-CYBMUJFWSA-N 2 2 290.367 0.264 20 0 CCADLP Cc1cc(C)c(CNC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c[nH+]1 ZINC000418889532 234254183 /nfs/dbraw/zinc/25/41/83/234254183.db2.gz QGHHEXBYNNJIQB-ZWNOBZJWSA-N 2 2 290.367 0.120 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC000270892184 353000431 /nfs/dbraw/zinc/00/04/31/353000431.db2.gz HSCOVLZRNOIANT-UHFFFAOYSA-N 2 2 250.346 0.826 20 0 CCADLP C[N@H+]1CCN(C(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC000270892184 353000435 /nfs/dbraw/zinc/00/04/35/353000435.db2.gz HSCOVLZRNOIANT-UHFFFAOYSA-N 2 2 250.346 0.826 20 0 CCADLP C[C@H](CC(N)=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000272211846 353043785 /nfs/dbraw/zinc/04/37/85/353043785.db2.gz KSOAGAOWZVKHDV-DGCLKSJQSA-N 2 2 291.399 0.898 20 0 CCADLP C[NH+](C)C1(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)CCC1 ZINC000555899707 290983991 /nfs/dbraw/zinc/98/39/91/290983991.db2.gz KYKWVEFSSPSDEP-UHFFFAOYSA-N 2 2 294.399 0.581 20 0 CCADLP C[C@H](CNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2)[NH+]1CCN(C)CC1 ZINC000655449734 412574788 /nfs/dbraw/zinc/57/47/88/412574788.db2.gz NFFIUWOSEQCGPR-IIAWOOMASA-N 2 2 294.443 0.128 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000279858251 353320320 /nfs/dbraw/zinc/32/03/20/353320320.db2.gz KMQMFVOEUXMUNN-CQSZACIVSA-N 2 2 296.440 0.906 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)c1csc(CC[NH3+])n1 ZINC000279891554 353322561 /nfs/dbraw/zinc/32/25/61/353322561.db2.gz HTDNINWYACRFFW-UHFFFAOYSA-N 2 2 265.342 0.606 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000279927714 353325523 /nfs/dbraw/zinc/32/55/23/353325523.db2.gz XWWZVZYQPUNGDY-UHFFFAOYSA-N 2 2 294.399 0.580 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000279927714 353325525 /nfs/dbraw/zinc/32/55/25/353325525.db2.gz XWWZVZYQPUNGDY-UHFFFAOYSA-N 2 2 294.399 0.580 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC000280669204 353374916 /nfs/dbraw/zinc/37/49/16/353374916.db2.gz BIYXPBSBDCQKDX-UHFFFAOYSA-N 2 2 268.361 0.427 20 0 CCADLP COCC[N@@H+](C)CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC000280669204 353374919 /nfs/dbraw/zinc/37/49/19/353374919.db2.gz BIYXPBSBDCQKDX-UHFFFAOYSA-N 2 2 268.361 0.427 20 0 CCADLP C[N@@H+](CC(N)=O)C[C@H]1CN(c2cc[nH+]cc2Cl)CCO1 ZINC000282215195 353404308 /nfs/dbraw/zinc/40/43/08/353404308.db2.gz JRQWZUDQDQVMDY-JTQLQIEISA-N 2 2 298.774 0.357 20 0 CCADLP C[N@H+](CC(N)=O)C[C@H]1CN(c2cc[nH+]cc2Cl)CCO1 ZINC000282215195 353404310 /nfs/dbraw/zinc/40/43/10/353404310.db2.gz JRQWZUDQDQVMDY-JTQLQIEISA-N 2 2 298.774 0.357 20 0 CCADLP Cc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)nn1C ZINC000282374156 353418265 /nfs/dbraw/zinc/41/82/65/353418265.db2.gz WTPLLZPVIVMYHI-GXTWGEPZSA-N 2 2 293.415 0.719 20 0 CCADLP Cc1cc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)nn1C ZINC000282374156 353418267 /nfs/dbraw/zinc/41/82/67/353418267.db2.gz WTPLLZPVIVMYHI-GXTWGEPZSA-N 2 2 293.415 0.719 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000282534693 353433265 /nfs/dbraw/zinc/43/32/65/353433265.db2.gz ZXCBKUQQGZZDTE-AWEZNQCLSA-N 2 2 292.383 0.454 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)C=Cc2c[nH]c[nH+]2)CCO1 ZINC000283355190 353502900 /nfs/dbraw/zinc/50/29/00/353502900.db2.gz CUFIHADYUQRHFR-ONEGZZNKSA-N 2 2 278.356 0.650 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)C=Cc2c[nH]c[nH+]2)CCO1 ZINC000283355190 353502902 /nfs/dbraw/zinc/50/29/02/353502902.db2.gz CUFIHADYUQRHFR-ONEGZZNKSA-N 2 2 278.356 0.650 20 0 CCADLP COC[C@@]1(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCC[NH2+]1 ZINC000655461565 412581958 /nfs/dbraw/zinc/58/19/58/412581958.db2.gz UWQHKDISYMUINL-DOMZBBRYSA-N 2 2 292.383 0.330 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655467029 412583384 /nfs/dbraw/zinc/58/33/84/412583384.db2.gz CKJFUVABLJHPBG-SMDDNHRTSA-N 2 2 262.357 0.768 20 0 CCADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2nccnc2OC)C1 ZINC000294160260 353874480 /nfs/dbraw/zinc/87/44/80/353874480.db2.gz IHWVJHAMURJSOD-LLVKDONJSA-N 2 2 250.346 0.917 20 0 CCADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2nccnc2OC)C1 ZINC000294160260 353874484 /nfs/dbraw/zinc/87/44/84/353874484.db2.gz IHWVJHAMURJSOD-LLVKDONJSA-N 2 2 250.346 0.917 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)NCCNc1cccc[nH+]1 ZINC000296515279 353950599 /nfs/dbraw/zinc/95/05/99/353950599.db2.gz RSFXCNOJNNOQAI-NSHDSACASA-N 2 2 250.346 0.998 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000298724426 353966381 /nfs/dbraw/zinc/96/63/81/353966381.db2.gz SZDBYHPEFHMWLI-UHFFFAOYSA-N 2 2 251.330 0.485 20 0 CCADLP C[C@@H]1CN(C(=O)NCCn2cc[nH+]c2)C[C@H](C)[N@H+]1C ZINC000296552997 353951559 /nfs/dbraw/zinc/95/15/59/353951559.db2.gz TYICZOLETQDDDV-TXEJJXNPSA-N 2 2 265.361 0.617 20 0 CCADLP C[C@@H]1CN(C(=O)NCCn2cc[nH+]c2)C[C@H](C)[N@@H+]1C ZINC000296552997 353951562 /nfs/dbraw/zinc/95/15/62/353951562.db2.gz TYICZOLETQDDDV-TXEJJXNPSA-N 2 2 265.361 0.617 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)c[nH+]1 ZINC000299470951 354019142 /nfs/dbraw/zinc/01/91/42/354019142.db2.gz AHNSVLQCZSWRIE-LBPRGKRZSA-N 2 2 262.357 0.858 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C)c[nH+]1 ZINC000299470951 354019146 /nfs/dbraw/zinc/01/91/46/354019146.db2.gz AHNSVLQCZSWRIE-LBPRGKRZSA-N 2 2 262.357 0.858 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000299487195 354021170 /nfs/dbraw/zinc/02/11/70/354021170.db2.gz IWPBUYABENNTRX-NSHDSACASA-N 2 2 276.344 0.776 20 0 CCADLP CC[NH+]1CCN(CCC(=O)NCCCn2cc[nH+]c2)CC1 ZINC000299676174 354037782 /nfs/dbraw/zinc/03/77/82/354037782.db2.gz QCCZZYGMKFVHSG-UHFFFAOYSA-N 2 2 293.415 0.417 20 0 CCADLP CCN1CC[NH+](CCC(=O)NCCCn2cc[nH+]c2)CC1 ZINC000299676174 354037788 /nfs/dbraw/zinc/03/77/88/354037788.db2.gz QCCZZYGMKFVHSG-UHFFFAOYSA-N 2 2 293.415 0.417 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)c2cc[nH+]cc2C(N)=O)C[C@H](C)O1 ZINC000302859329 354091403 /nfs/dbraw/zinc/09/14/03/354091403.db2.gz OAFHFNNQAPRSHJ-TXEJJXNPSA-N 2 2 292.383 0.726 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)c2cc[nH+]cc2C(N)=O)C[C@H](C)O1 ZINC000302859329 354091407 /nfs/dbraw/zinc/09/14/07/354091407.db2.gz OAFHFNNQAPRSHJ-TXEJJXNPSA-N 2 2 292.383 0.726 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN2CC[NH+](C3CC3)CC2)C[C@@H](C)O1 ZINC000303981685 354100447 /nfs/dbraw/zinc/10/04/47/354100447.db2.gz GBDFCGIEMFDGSN-IIAWOOMASA-N 2 2 297.443 0.237 20 0 CCADLP CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000304313283 354112388 /nfs/dbraw/zinc/11/23/88/354112388.db2.gz NCPRTONEOCXURF-JKSUJKDBSA-N 2 2 299.459 0.486 20 0 CCADLP CN(CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)C[NH+]1CCOCC1 ZINC000304313281 354112544 /nfs/dbraw/zinc/11/25/44/354112544.db2.gz NCPRTONEOCXURF-HZPDHXFCSA-N 2 2 299.459 0.486 20 0 CCADLP Cc1cc(NC(=O)N2CC[NH+](CCO)CC2)cc[nH+]1 ZINC000305730372 354156212 /nfs/dbraw/zinc/15/62/12/354156212.db2.gz NFBTXNOFBVJAMI-UHFFFAOYSA-N 2 2 264.329 0.532 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(COC)CC1 ZINC000312001978 354205735 /nfs/dbraw/zinc/20/57/35/354205735.db2.gz UTSXUCWFLLVQHN-CQSZACIVSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(COC)CC1 ZINC000312001978 354205737 /nfs/dbraw/zinc/20/57/37/354205737.db2.gz UTSXUCWFLLVQHN-CQSZACIVSA-N 2 2 274.405 0.284 20 0 CCADLP CCOC1(C)CC[NH+](C[C@H](O)C[N@H+](C)CCOC)CC1 ZINC000312994051 354211834 /nfs/dbraw/zinc/21/18/34/354211834.db2.gz MPKDEHFUNRTDTC-CQSZACIVSA-N 2 2 288.432 0.817 20 0 CCADLP CCOC1(C)CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)CC1 ZINC000312994051 354211840 /nfs/dbraw/zinc/21/18/40/354211840.db2.gz MPKDEHFUNRTDTC-CQSZACIVSA-N 2 2 288.432 0.817 20 0 CCADLP C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313348970 354213898 /nfs/dbraw/zinc/21/38/98/354213898.db2.gz ULBVWNQOTLHZTM-YPMHNXCESA-N 2 2 269.389 0.483 20 0 CCADLP C[C@H](C(=O)NC1CCCC1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313348970 354213901 /nfs/dbraw/zinc/21/39/01/354213901.db2.gz ULBVWNQOTLHZTM-YPMHNXCESA-N 2 2 269.389 0.483 20 0 CCADLP CN(C)c1nc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc[nH+]1 ZINC000607144834 363339773 /nfs/dbraw/zinc/33/97/73/363339773.db2.gz UJXOJUFQVDVNFB-OLZOCXBDSA-N 2 2 291.399 0.578 20 0 CCADLP CN(C)S(=O)(=O)CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000330366150 354329704 /nfs/dbraw/zinc/32/97/04/354329704.db2.gz LKWTWNYVCBXBAZ-CYBMUJFWSA-N 2 2 299.396 0.426 20 0 CCADLP CN(C)S(=O)(=O)CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000330366150 354329706 /nfs/dbraw/zinc/32/97/06/354329706.db2.gz LKWTWNYVCBXBAZ-CYBMUJFWSA-N 2 2 299.396 0.426 20 0 CCADLP C[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000246949916 283018184 /nfs/dbraw/zinc/01/81/84/283018184.db2.gz XBLOFICSBSIHPP-IHRRRGAJSA-N 2 2 281.400 0.260 20 0 CCADLP C[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000246949916 283018186 /nfs/dbraw/zinc/01/81/86/283018186.db2.gz XBLOFICSBSIHPP-IHRRRGAJSA-N 2 2 281.400 0.260 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)C1 ZINC000246949916 283018188 /nfs/dbraw/zinc/01/81/88/283018188.db2.gz XBLOFICSBSIHPP-IHRRRGAJSA-N 2 2 281.400 0.260 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)C1 ZINC000246949916 283018189 /nfs/dbraw/zinc/01/81/89/283018189.db2.gz XBLOFICSBSIHPP-IHRRRGAJSA-N 2 2 281.400 0.260 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000252545431 283024100 /nfs/dbraw/zinc/02/41/00/283024100.db2.gz JJHHXXDFPSMUGG-MQYQWHSLSA-N 2 2 281.400 0.354 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000252545431 283024104 /nfs/dbraw/zinc/02/41/04/283024104.db2.gz JJHHXXDFPSMUGG-MQYQWHSLSA-N 2 2 281.400 0.354 20 0 CCADLP COC(=O)[C@](C)(O)C[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000330855213 354428754 /nfs/dbraw/zinc/42/87/54/354428754.db2.gz SHCKYIHTPPVGCE-OAHLLOKOSA-N 2 2 293.367 0.436 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCCC[NH2+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488663 412593438 /nfs/dbraw/zinc/59/34/38/412593438.db2.gz DSVZWEZQVYUIOT-YIYPIFLZSA-N 2 2 283.416 0.742 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCCC[NH2+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488663 412593441 /nfs/dbraw/zinc/59/34/41/412593441.db2.gz DSVZWEZQVYUIOT-YIYPIFLZSA-N 2 2 283.416 0.742 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000331701232 354617828 /nfs/dbraw/zinc/61/78/28/354617828.db2.gz VWQDVILVDLUGQN-CQSZACIVSA-N 2 2 282.388 0.250 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000331701232 354617831 /nfs/dbraw/zinc/61/78/31/354617831.db2.gz VWQDVILVDLUGQN-CQSZACIVSA-N 2 2 282.388 0.250 20 0 CCADLP CCNC(=O)NC(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000331701232 354617832 /nfs/dbraw/zinc/61/78/32/354617832.db2.gz VWQDVILVDLUGQN-CQSZACIVSA-N 2 2 282.388 0.250 20 0 CCADLP CCNC(=O)NC(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000331701232 354617836 /nfs/dbraw/zinc/61/78/36/354617836.db2.gz VWQDVILVDLUGQN-CQSZACIVSA-N 2 2 282.388 0.250 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2CC[C@@H](C(N)=O)C2)n1C ZINC000332741804 354733013 /nfs/dbraw/zinc/73/30/13/354733013.db2.gz ZQUVRKRYDQYKGE-SECBINFHSA-N 2 2 251.334 0.843 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2CC[C@@H](C(N)=O)C2)n1C ZINC000332741804 354733014 /nfs/dbraw/zinc/73/30/14/354733014.db2.gz ZQUVRKRYDQYKGE-SECBINFHSA-N 2 2 251.334 0.843 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CCN(c3ccccc3)C2=O)CCCO1 ZINC000333901109 354812768 /nfs/dbraw/zinc/81/27/68/354812768.db2.gz ZGKAVRDXIONCKP-LSDHHAIUSA-N 2 2 289.379 0.842 20 0 CCADLP [NH3+]C[C@H]1C[N@H+]([C@@H]2CCN(c3ccccc3)C2=O)CCCO1 ZINC000333901109 354812769 /nfs/dbraw/zinc/81/27/69/354812769.db2.gz ZGKAVRDXIONCKP-LSDHHAIUSA-N 2 2 289.379 0.842 20 0 CCADLP [NH3+][C@H]1CC[N@H+](CCC(=O)N2CCc3ccccc32)C1 ZINC000334491850 354876559 /nfs/dbraw/zinc/87/65/59/354876559.db2.gz GFHDCWMNQDIDEY-ZDUSSCGKSA-N 2 2 259.353 0.999 20 0 CCADLP [NH3+][C@H]1CC[N@@H+](CCC(=O)N2CCc3ccccc32)C1 ZINC000334491850 354876561 /nfs/dbraw/zinc/87/65/61/354876561.db2.gz GFHDCWMNQDIDEY-ZDUSSCGKSA-N 2 2 259.353 0.999 20 0 CCADLP Cc1nc(N[C@H]2C[N@H+](C3CC3)C[C@H]2C)nc(N(C)C)[nH+]1 ZINC000532021749 358491717 /nfs/dbraw/zinc/49/17/17/358491717.db2.gz RWDWRWQUPHPZDD-SKDRFNHKSA-N 2 2 276.388 0.563 20 0 CCADLP Cc1nc(N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)nc(N(C)C)[nH+]1 ZINC000532021749 358491719 /nfs/dbraw/zinc/49/17/19/358491719.db2.gz RWDWRWQUPHPZDD-SKDRFNHKSA-N 2 2 276.388 0.563 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@]3(CCSC3)C2)CC1 ZINC000334626306 354913250 /nfs/dbraw/zinc/91/32/50/354913250.db2.gz HOHLKIOIZJXUIL-HNNXBMFYSA-N 2 2 297.468 0.980 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@]3(CCSC3)C2)CC1 ZINC000334626306 354913255 /nfs/dbraw/zinc/91/32/55/354913255.db2.gz HOHLKIOIZJXUIL-HNNXBMFYSA-N 2 2 297.468 0.980 20 0 CCADLP Cc1cccn2cc(CNC(=O)C3(C)C[NH2+]C3)[nH+]c12 ZINC000335045170 354947150 /nfs/dbraw/zinc/94/71/50/354947150.db2.gz LWGWJAMLHBYTJL-UHFFFAOYSA-N 2 2 258.325 0.868 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCN2C(=O)NC[C@H]2C1 ZINC000335865756 355031498 /nfs/dbraw/zinc/03/14/98/355031498.db2.gz QJDNIHQDHVOARV-OLZOCXBDSA-N 2 2 266.389 0.570 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCN2C(=O)NC[C@H]2C1 ZINC000335865756 355031502 /nfs/dbraw/zinc/03/15/02/355031502.db2.gz QJDNIHQDHVOARV-OLZOCXBDSA-N 2 2 266.389 0.570 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000335865756 355031504 /nfs/dbraw/zinc/03/15/04/355031504.db2.gz QJDNIHQDHVOARV-OLZOCXBDSA-N 2 2 266.389 0.570 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000335865756 355031507 /nfs/dbraw/zinc/03/15/07/355031507.db2.gz QJDNIHQDHVOARV-OLZOCXBDSA-N 2 2 266.389 0.570 20 0 CCADLP O=C(C[C@H]1CCC[NH2+]1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000423805127 235086911 /nfs/dbraw/zinc/08/69/11/235086911.db2.gz SGEOEBIQJPMJAC-OLZOCXBDSA-N 2 2 274.368 0.919 20 0 CCADLP C[C@@H]1C[C@@H]([NH+](C)CCN2CCNC2=O)CC[N@@H+]1C ZINC000336791626 355164871 /nfs/dbraw/zinc/16/48/71/355164871.db2.gz OGAARXXGPYQQHB-NEPJUHHUSA-N 2 2 254.378 0.426 20 0 CCADLP C[C@@H]1C[C@@H]([NH+](C)CCN2CCNC2=O)CC[N@H+]1C ZINC000336791626 355164873 /nfs/dbraw/zinc/16/48/73/355164873.db2.gz OGAARXXGPYQQHB-NEPJUHHUSA-N 2 2 254.378 0.426 20 0 CCADLP C[C@@H]1C[C@@H]([N@H+](C)CCN2CCNC2=O)CC[NH+]1C ZINC000336791626 355164874 /nfs/dbraw/zinc/16/48/74/355164874.db2.gz OGAARXXGPYQQHB-NEPJUHHUSA-N 2 2 254.378 0.426 20 0 CCADLP C[C@@H]1C[C@@H]([N@@H+](C)CCN2CCNC2=O)CC[NH+]1C ZINC000336791626 355164875 /nfs/dbraw/zinc/16/48/75/355164875.db2.gz OGAARXXGPYQQHB-NEPJUHHUSA-N 2 2 254.378 0.426 20 0 CCADLP [NH3+]CCCOC1CC[NH+](Cc2csnn2)CC1 ZINC000336700159 355139824 /nfs/dbraw/zinc/13/98/24/355139824.db2.gz KGFTYCAPELRSST-UHFFFAOYSA-N 2 2 256.375 0.868 20 0 CCADLP CC[NH+]1CCC([N@H+](C)CCCS(N)(=O)=O)CC1 ZINC000336703677 355141871 /nfs/dbraw/zinc/14/18/71/355141871.db2.gz BMAZGMOLMZPJIP-UHFFFAOYSA-N 2 2 263.407 0.081 20 0 CCADLP CC[NH+]1CCC([N@@H+](C)CCCS(N)(=O)=O)CC1 ZINC000336703677 355141873 /nfs/dbraw/zinc/14/18/73/355141873.db2.gz BMAZGMOLMZPJIP-UHFFFAOYSA-N 2 2 263.407 0.081 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)C(C)C ZINC000336833549 355206818 /nfs/dbraw/zinc/20/68/18/355206818.db2.gz OOTKQOFACLZXMT-PWNZVWSESA-N 2 2 281.400 0.385 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)C(C)C ZINC000336833549 355206822 /nfs/dbraw/zinc/20/68/22/355206822.db2.gz OOTKQOFACLZXMT-PWNZVWSESA-N 2 2 281.400 0.385 20 0 CCADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+]([C@@H]2CCCNC2=O)C1 ZINC000336798755 355172065 /nfs/dbraw/zinc/17/20/65/355172065.db2.gz GGLXKVJQZDPBNG-ZIAGYGMSSA-N 2 2 265.401 0.929 20 0 CCADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+]([C@@H]2CCCNC2=O)C1 ZINC000336798755 355172068 /nfs/dbraw/zinc/17/20/68/355172068.db2.gz GGLXKVJQZDPBNG-ZIAGYGMSSA-N 2 2 265.401 0.929 20 0 CCADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC000336798755 355172071 /nfs/dbraw/zinc/17/20/71/355172071.db2.gz GGLXKVJQZDPBNG-ZIAGYGMSSA-N 2 2 265.401 0.929 20 0 CCADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+]([C@@H]2CCCNC2=O)C1 ZINC000336798755 355172074 /nfs/dbraw/zinc/17/20/74/355172074.db2.gz GGLXKVJQZDPBNG-ZIAGYGMSSA-N 2 2 265.401 0.929 20 0 CCADLP C[N@@H+]1CC[C@@H]2OCCN(C(=O)C=Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC000285177182 283084125 /nfs/dbraw/zinc/08/41/25/283084125.db2.gz ZHAKWRLFHPSWOK-XDYXTIEYSA-N 2 2 276.340 0.354 20 0 CCADLP C[N@H+]1CC[C@@H]2OCCN(C(=O)C=Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC000285177182 283084129 /nfs/dbraw/zinc/08/41/29/283084129.db2.gz ZHAKWRLFHPSWOK-XDYXTIEYSA-N 2 2 276.340 0.354 20 0 CCADLP OC1(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CCCC1 ZINC000336804952 355181948 /nfs/dbraw/zinc/18/19/48/355181948.db2.gz OLSFKLFEFLWBSF-CQSZACIVSA-N 2 2 268.401 0.946 20 0 CCADLP OC1(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CCCC1 ZINC000336804952 355181950 /nfs/dbraw/zinc/18/19/50/355181950.db2.gz OLSFKLFEFLWBSF-CQSZACIVSA-N 2 2 268.401 0.946 20 0 CCADLP CCC[N@H+](C)C[C@H]1CC[NH+](CCS(=O)(=O)N(C)C)C1 ZINC000336811935 355185697 /nfs/dbraw/zinc/18/56/97/355185697.db2.gz PHLAASGBZZYLBZ-CYBMUJFWSA-N 2 2 291.461 0.542 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CCS(=O)(=O)N(C)C)C1 ZINC000336811935 355185699 /nfs/dbraw/zinc/18/56/99/355185699.db2.gz PHLAASGBZZYLBZ-CYBMUJFWSA-N 2 2 291.461 0.542 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@H+](CCS(=O)(=O)N(C)C)C1 ZINC000336811935 355185702 /nfs/dbraw/zinc/18/57/02/355185702.db2.gz PHLAASGBZZYLBZ-CYBMUJFWSA-N 2 2 291.461 0.542 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CCS(=O)(=O)N(C)C)C1 ZINC000336811935 355185705 /nfs/dbraw/zinc/18/57/05/355185705.db2.gz PHLAASGBZZYLBZ-CYBMUJFWSA-N 2 2 291.461 0.542 20 0 CCADLP CCn1cc[nH+]c1CN1CCN(c2[nH+]ccn2C)CC1 ZINC000336819760 355192749 /nfs/dbraw/zinc/19/27/49/355192749.db2.gz ALLFWXCKYHIBDR-UHFFFAOYSA-N 2 2 274.372 0.959 20 0 CCADLP Cn1cc(CC[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cn1 ZINC000336819937 355192938 /nfs/dbraw/zinc/19/29/38/355192938.db2.gz BEHSIZZYJHGFQW-HNNXBMFYSA-N 2 2 278.400 0.617 20 0 CCADLP Cn1cc(CC[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cn1 ZINC000336819937 355192940 /nfs/dbraw/zinc/19/29/40/355192940.db2.gz BEHSIZZYJHGFQW-HNNXBMFYSA-N 2 2 278.400 0.617 20 0 CCADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000424151853 235161898 /nfs/dbraw/zinc/16/18/98/235161898.db2.gz IMIZUSYGSLLFPC-OCCSQVGLSA-N 2 2 291.399 0.028 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCN(C)CC[NH+]1CCCC1 ZINC000337192218 355282150 /nfs/dbraw/zinc/28/21/50/355282150.db2.gz TXDUPOJSNTVOLC-AWEZNQCLSA-N 2 2 255.406 0.735 20 0 CCADLP C[C@H]1COCC[N@H+]1CCN(C)CC[NH+]1CCCC1 ZINC000337192218 355282151 /nfs/dbraw/zinc/28/21/51/355282151.db2.gz TXDUPOJSNTVOLC-AWEZNQCLSA-N 2 2 255.406 0.735 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCc1ccn2cc[nH+]c2c1 ZINC000558646233 291064787 /nfs/dbraw/zinc/06/47/87/291064787.db2.gz ARYJANWEBBZKSY-UHFFFAOYSA-N 2 2 255.281 0.847 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@]2(C)C[C@H]2F)CC1 ZINC000424715440 235228007 /nfs/dbraw/zinc/22/80/07/235228007.db2.gz ZXBYMAKDBANKSE-TZMCWYRMSA-N 2 2 271.380 0.877 20 0 CCADLP CC[C@H](C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)[NH+](C)C ZINC000338969936 355463948 /nfs/dbraw/zinc/46/39/48/355463948.db2.gz IMKBGXIVOGONDB-GFCCVEGCSA-N 2 2 279.388 0.394 20 0 CCADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2cnn[nH]2)CC1 ZINC000340292315 355551254 /nfs/dbraw/zinc/55/12/54/355551254.db2.gz ZMLJYASOKVNINH-UHFFFAOYSA-N 2 2 260.345 0.993 20 0 CCADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2c[nH]nn2)CC1 ZINC000340292315 355551255 /nfs/dbraw/zinc/55/12/55/355551255.db2.gz ZMLJYASOKVNINH-UHFFFAOYSA-N 2 2 260.345 0.993 20 0 CCADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2cn[nH]n2)CC1 ZINC000340292315 355551258 /nfs/dbraw/zinc/55/12/58/355551258.db2.gz ZMLJYASOKVNINH-UHFFFAOYSA-N 2 2 260.345 0.993 20 0 CCADLP CC[NH+](CC)CCC[N@H+](CCNS(C)(=O)=O)C1CC1 ZINC000340214078 355523988 /nfs/dbraw/zinc/52/39/88/355523988.db2.gz NGBMMCITTXMWQO-UHFFFAOYSA-N 2 2 291.461 0.732 20 0 CCADLP CC[NH+](CC)CCC[N@@H+](CCNS(C)(=O)=O)C1CC1 ZINC000340214078 355523991 /nfs/dbraw/zinc/52/39/91/355523991.db2.gz NGBMMCITTXMWQO-UHFFFAOYSA-N 2 2 291.461 0.732 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)C[NH+](C)C ZINC000341232175 355635788 /nfs/dbraw/zinc/63/57/88/355635788.db2.gz WNWSTKVKHSRHGW-RYUDHWBXSA-N 2 2 264.373 0.759 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000341626115 355707180 /nfs/dbraw/zinc/70/71/80/355707180.db2.gz AKXJMGJTAUOYIZ-CQSZACIVSA-N 2 2 295.427 0.651 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000342764224 355740500 /nfs/dbraw/zinc/74/05/00/355740500.db2.gz GPKAAKOLAIWJPV-VHSXEESVSA-N 2 2 272.299 0.633 20 0 CCADLP CS[C@@H]1CN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C[C@@H]1[NH+](C)C ZINC000343625795 355776557 /nfs/dbraw/zinc/77/65/57/355776557.db2.gz LFVWACUVHSCYAI-LJISPDSOSA-N 2 2 299.484 0.827 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000344164621 355787727 /nfs/dbraw/zinc/78/77/27/355787727.db2.gz DAICJMGBOMVNFA-HZSPNIEDSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000344164621 355787731 /nfs/dbraw/zinc/78/77/31/355787731.db2.gz DAICJMGBOMVNFA-HZSPNIEDSA-N 2 2 283.416 0.554 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)NC(C1CC1)C1CC1 ZINC000428049165 235392657 /nfs/dbraw/zinc/39/26/57/235392657.db2.gz MSHWKCGUDCFLEO-KBPBESRZSA-N 2 2 277.412 0.975 20 0 CCADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)NC(C1CC1)C1CC1 ZINC000428049165 235392660 /nfs/dbraw/zinc/39/26/60/235392660.db2.gz MSHWKCGUDCFLEO-KBPBESRZSA-N 2 2 277.412 0.975 20 0 CCADLP C[NH+]1CCC([NH2+]C[C@H]2CCCCS2(=O)=O)CC1 ZINC000346806031 355873148 /nfs/dbraw/zinc/87/31/48/355873148.db2.gz AINQYNCIKUGXIA-GFCCVEGCSA-N 2 2 260.403 0.638 20 0 CCADLP CCn1cc(CC[N@H+](C)C2CC[NH+](CCO)CC2)cn1 ZINC000348273794 355900714 /nfs/dbraw/zinc/90/07/14/355900714.db2.gz DIMXIPUPNDJSDR-UHFFFAOYSA-N 2 2 280.416 0.834 20 0 CCADLP CCn1cc(CC[N@@H+](C)C2CC[NH+](CCO)CC2)cn1 ZINC000348273794 355900716 /nfs/dbraw/zinc/90/07/16/355900716.db2.gz DIMXIPUPNDJSDR-UHFFFAOYSA-N 2 2 280.416 0.834 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN2CCOC[C@H]2C1 ZINC000348778411 355980173 /nfs/dbraw/zinc/98/01/73/355980173.db2.gz XREDFUONBSRJHJ-ZIAGYGMSSA-N 2 2 253.390 0.487 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN2CCOC[C@H]2C1 ZINC000348778411 355980178 /nfs/dbraw/zinc/98/01/78/355980178.db2.gz XREDFUONBSRJHJ-ZIAGYGMSSA-N 2 2 253.390 0.487 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000348778411 355980181 /nfs/dbraw/zinc/98/01/81/355980181.db2.gz XREDFUONBSRJHJ-ZIAGYGMSSA-N 2 2 253.390 0.487 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCN2CCOC[C@H]2C1 ZINC000348778411 355980186 /nfs/dbraw/zinc/98/01/86/355980186.db2.gz XREDFUONBSRJHJ-ZIAGYGMSSA-N 2 2 253.390 0.487 20 0 CCADLP C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352703318 356058834 /nfs/dbraw/zinc/05/88/34/356058834.db2.gz BSVDTAWVEDQOJU-ZWNOBZJWSA-N 2 2 285.413 0.834 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)[C@@H]2CCC[C@H]21 ZINC000423581388 283137490 /nfs/dbraw/zinc/13/74/90/283137490.db2.gz YYWBLWJFCTVGMC-XDQVBPFNSA-N 3 2 253.390 0.437 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)[C@@H]2CCC[C@H]21 ZINC000423581388 283137492 /nfs/dbraw/zinc/13/74/92/283137492.db2.gz YYWBLWJFCTVGMC-XDQVBPFNSA-N 3 2 253.390 0.437 20 0 CCADLP CC[NH+]1CCN(C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000352711316 356059941 /nfs/dbraw/zinc/05/99/41/356059941.db2.gz AOIQTFULRNFCHG-UHFFFAOYSA-N 2 2 286.445 0.382 20 0 CCADLP C[NH+](C)CCOCC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352734996 356066285 /nfs/dbraw/zinc/06/62/85/356066285.db2.gz FFRYXYRYMLGLCJ-UHFFFAOYSA-N 3 2 286.445 0.873 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[NH+](C)C[C@H]2C)C1 ZINC000352813047 356087327 /nfs/dbraw/zinc/08/73/27/356087327.db2.gz ITGOGCHBYCRKIE-UPJWGTAASA-N 2 2 269.389 0.258 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[NH+](C)C[C@H]2C)C1 ZINC000352813047 356087333 /nfs/dbraw/zinc/08/73/33/356087333.db2.gz ITGOGCHBYCRKIE-UPJWGTAASA-N 2 2 269.389 0.258 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)C1 ZINC000352813047 356087337 /nfs/dbraw/zinc/08/73/37/356087337.db2.gz ITGOGCHBYCRKIE-UPJWGTAASA-N 2 2 269.389 0.258 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000352813047 356087340 /nfs/dbraw/zinc/08/73/40/356087340.db2.gz ITGOGCHBYCRKIE-UPJWGTAASA-N 2 2 269.389 0.258 20 0 CCADLP CCCC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC000353201996 356177470 /nfs/dbraw/zinc/17/74/70/356177470.db2.gz IPTLBZWURKWRGK-CHWSQXEVSA-N 2 2 299.415 0.600 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000353426257 356219416 /nfs/dbraw/zinc/21/94/16/356219416.db2.gz IVRZXIILSKCXQA-MCIONIFRSA-N 2 2 282.432 0.127 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000353459262 356227081 /nfs/dbraw/zinc/22/70/81/356227081.db2.gz LQUXZFXJQBXDOG-RDBSUJKOSA-N 2 2 283.416 0.457 20 0 CCADLP COCCn1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cn1 ZINC000353570320 356250943 /nfs/dbraw/zinc/25/09/43/356250943.db2.gz PLDRZQNLNXRMSL-CYBMUJFWSA-N 2 2 266.389 0.913 20 0 CCADLP COCCn1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cn1 ZINC000353570320 356250948 /nfs/dbraw/zinc/25/09/48/356250948.db2.gz PLDRZQNLNXRMSL-CYBMUJFWSA-N 2 2 266.389 0.913 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)C[N@@H+]1C1CC1 ZINC000360818878 138011900 /nfs/dbraw/zinc/01/19/00/138011900.db2.gz PBCCSRRJEKJBOL-WCABBAIRSA-N 2 2 273.327 0.725 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)C[N@H+]1C1CC1 ZINC000360818878 138011901 /nfs/dbraw/zinc/01/19/01/138011901.db2.gz PBCCSRRJEKJBOL-WCABBAIRSA-N 2 2 273.327 0.725 20 0 CCADLP C[C@@H]1CN(C(=O)C2CC[NH2+]CC2)C[C@H]1[NH+]1CCOCC1 ZINC000353701444 356276546 /nfs/dbraw/zinc/27/65/46/356276546.db2.gz MMILKXVLXPPQSL-TZMCWYRMSA-N 2 2 281.400 0.165 20 0 CCADLP C[C@H](C(=O)N[C@@H](C)CC[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000353963143 356323480 /nfs/dbraw/zinc/32/34/80/356323480.db2.gz WLEMANPWPHQSLU-QWHCGFSZSA-N 2 2 270.421 0.079 20 0 CCADLP C[C@@H](C(=O)N1CCC[C@@H]1C[NH+](C)C)[NH+]1CCOCC1 ZINC000362505181 138061845 /nfs/dbraw/zinc/06/18/45/138061845.db2.gz DYURZKNAULZRII-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000362526519 138062731 /nfs/dbraw/zinc/06/27/31/138062731.db2.gz SAMVWZXCGVZUGU-QJPTWQEYSA-N 2 2 250.346 0.586 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000362526519 138062732 /nfs/dbraw/zinc/06/27/32/138062732.db2.gz SAMVWZXCGVZUGU-QJPTWQEYSA-N 2 2 250.346 0.586 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000273601407 192225340 /nfs/dbraw/zinc/22/53/40/192225340.db2.gz LGOXFHQKLNBJNE-CYBMUJFWSA-N 2 2 262.357 0.911 20 0 CCADLP Nc1cccc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362840929 138076491 /nfs/dbraw/zinc/07/64/91/138076491.db2.gz UKBHVQQHQPVJTL-HNNXBMFYSA-N 2 2 288.395 0.665 20 0 CCADLP Nc1cccc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000362840929 138076492 /nfs/dbraw/zinc/07/64/92/138076492.db2.gz UKBHVQQHQPVJTL-HNNXBMFYSA-N 2 2 288.395 0.665 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]1C[C@H](F)C[NH2+]1 ZINC000362893351 138079546 /nfs/dbraw/zinc/07/95/46/138079546.db2.gz NSXUSIMITPFXGS-QWRGUYRKSA-N 2 2 268.336 0.855 20 0 CCADLP COc1cc[nH+]cc1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354717326 356481527 /nfs/dbraw/zinc/48/15/27/356481527.db2.gz VQVZTCQFMSXAAZ-JTQLQIEISA-N 2 2 292.339 0.287 20 0 CCADLP C[C@H]1CC[C@@H](C[N@H+](C)C2CC[NH+](CCO)CC2)O1 ZINC000354890648 356522183 /nfs/dbraw/zinc/52/21/83/356522183.db2.gz JPVZYEOXPHPUEY-JSGCOSHPSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@H]1CC[C@@H](C[N@@H+](C)C2CC[NH+](CCO)CC2)O1 ZINC000354890648 356522184 /nfs/dbraw/zinc/52/21/84/356522184.db2.gz JPVZYEOXPHPUEY-JSGCOSHPSA-N 2 2 256.390 0.942 20 0 CCADLP CO[C@H](C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354945821 356533808 /nfs/dbraw/zinc/53/38/08/356533808.db2.gz CVTQHFNHMBEKKQ-QWHCGFSZSA-N 2 2 283.416 0.648 20 0 CCADLP CO[C@H](C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354945821 356533813 /nfs/dbraw/zinc/53/38/13/356533813.db2.gz CVTQHFNHMBEKKQ-QWHCGFSZSA-N 2 2 283.416 0.648 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157366 363475878 /nfs/dbraw/zinc/47/58/78/363475878.db2.gz GNBYHOLWFVLGKF-LLVKDONJSA-N 2 2 279.344 0.366 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609157366 363475881 /nfs/dbraw/zinc/47/58/81/363475881.db2.gz GNBYHOLWFVLGKF-LLVKDONJSA-N 2 2 279.344 0.366 20 0 CCADLP O=[S@](CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000609193162 363477935 /nfs/dbraw/zinc/47/79/35/363477935.db2.gz OOXATWSNPHBQQP-SNUQEOBHSA-N 2 2 264.394 0.945 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NCCC[NH+]2CCOCC2)no1 ZINC000355708419 356632271 /nfs/dbraw/zinc/63/22/71/356632271.db2.gz ZSYMIDHEFZWKKP-UHFFFAOYSA-N 2 2 296.371 0.188 20 0 CCADLP C[C@@H](C(=O)N1CCC2(CCC[N@@H+]2C)CC1)[NH+]1CCOCC1 ZINC000355354518 356624663 /nfs/dbraw/zinc/62/46/63/356624663.db2.gz ZLKHVGNKOWLJBP-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP C[C@@H](C(=O)N1CCC2(CCC[N@H+]2C)CC1)[NH+]1CCOCC1 ZINC000355354518 356624665 /nfs/dbraw/zinc/62/46/65/356624665.db2.gz ZLKHVGNKOWLJBP-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)NC[C@H]2CCC[N@H+]2C)no1 ZINC000355864211 356662373 /nfs/dbraw/zinc/66/23/73/356662373.db2.gz YHCXQCDXUSRHDW-SNVBAGLBSA-N 2 2 266.345 0.560 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000355923990 356670516 /nfs/dbraw/zinc/67/05/16/356670516.db2.gz XXEWVTFTHWVDFC-QWHCGFSZSA-N 2 2 292.383 0.286 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000356265418 356736692 /nfs/dbraw/zinc/73/66/92/356736692.db2.gz NWFYJKYEGYPINF-LBPRGKRZSA-N 2 2 295.387 0.211 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000356265418 356736696 /nfs/dbraw/zinc/73/66/96/356736696.db2.gz NWFYJKYEGYPINF-LBPRGKRZSA-N 2 2 295.387 0.211 20 0 CCADLP CN(Cc1ccc(F)cc1)C(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359294291 356795940 /nfs/dbraw/zinc/79/59/40/356795940.db2.gz BOEZYVJOUNPJRP-OKILXGFUSA-N 2 2 291.370 0.935 20 0 CCADLP CN(Cc1ccc(F)cc1)C(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359294291 356795945 /nfs/dbraw/zinc/79/59/45/356795945.db2.gz BOEZYVJOUNPJRP-OKILXGFUSA-N 2 2 291.370 0.935 20 0 CCADLP CN(C)C(=O)[C@H](c1ccccc1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359298591 356797189 /nfs/dbraw/zinc/79/71/89/356797189.db2.gz FMHABEWCCZKHIO-KKUMJFAQSA-N 2 2 273.380 0.967 20 0 CCADLP C[C@H](CN1CCCC1=O)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655697444 412645731 /nfs/dbraw/zinc/64/57/31/412645731.db2.gz PTBCPYXOFUQADJ-UKRRQHHQSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360549285 357038774 /nfs/dbraw/zinc/03/87/74/357038774.db2.gz FGUJYNHRTYIFFR-IPYPFGDCSA-N 2 2 281.400 0.356 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360549285 357038778 /nfs/dbraw/zinc/03/87/78/357038778.db2.gz FGUJYNHRTYIFFR-IPYPFGDCSA-N 2 2 281.400 0.356 20 0 CCADLP COc1c[nH+]ccc1N1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000361531370 357049210 /nfs/dbraw/zinc/04/92/10/357049210.db2.gz QZBQMIUUWKKFIC-ZDUSSCGKSA-N 2 2 290.367 0.443 20 0 CCADLP COCC[C@H](C)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362835972 357057095 /nfs/dbraw/zinc/05/70/95/357057095.db2.gz CETANDNHSUNEFZ-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP COCC[C@H](C)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362835972 357057098 /nfs/dbraw/zinc/05/70/98/357057098.db2.gz CETANDNHSUNEFZ-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP CC(C)CCC[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000363863693 357067235 /nfs/dbraw/zinc/06/72/35/357067235.db2.gz JXGQKSMPTMQQNA-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365403105 357150047 /nfs/dbraw/zinc/15/00/47/357150047.db2.gz LLUKXUGXUDJJNT-WCQYABFASA-N 2 2 296.415 0.779 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365403105 357150049 /nfs/dbraw/zinc/15/00/49/357150049.db2.gz LLUKXUGXUDJJNT-WCQYABFASA-N 2 2 296.415 0.779 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000365626825 357162524 /nfs/dbraw/zinc/16/25/24/357162524.db2.gz QRFKDYLTIVBRFO-CYBMUJFWSA-N 2 2 281.400 0.140 20 0 CCADLP O=C(NCCc1cn2ccccc2[nH+]1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000364598807 357123929 /nfs/dbraw/zinc/12/39/29/357123929.db2.gz IUDWXYVIJHGRLS-CZUORRHYSA-N 2 2 284.363 0.993 20 0 CCADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)[C@H]1CN(C)CCO1 ZINC000655734260 412651352 /nfs/dbraw/zinc/65/13/52/412651352.db2.gz DCUTYCKNZQVTQI-CWRNSKLLSA-N 2 2 297.443 0.548 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2C[C@]23CCOC3)CC1 ZINC000368107697 357320945 /nfs/dbraw/zinc/32/09/45/357320945.db2.gz NMSVASZLYKFZPW-ZBFHGGJFSA-N 2 2 295.427 0.555 20 0 CCADLP Cn1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)n1 ZINC000655736172 412653602 /nfs/dbraw/zinc/65/36/02/412653602.db2.gz NJNZKVVXGUWLIQ-CQSZACIVSA-N 2 2 264.373 0.763 20 0 CCADLP C[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]CC1)[NH+]1CCOCC1 ZINC000364262145 295946324 /nfs/dbraw/zinc/94/63/24/295946324.db2.gz WHZBFQLBMKHYQD-UONOGXRCSA-N 2 2 283.416 0.603 20 0 CCADLP C(C[NH+]1CCC1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655737313 412654926 /nfs/dbraw/zinc/65/49/26/412654926.db2.gz KZMSYUYACYENEQ-OAHLLOKOSA-N 2 2 267.417 0.925 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000376653596 357489166 /nfs/dbraw/zinc/48/91/66/357489166.db2.gz VMSXQTCWUFTONU-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000376653596 357489169 /nfs/dbraw/zinc/48/91/69/357489169.db2.gz VMSXQTCWUFTONU-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)N(C)C ZINC000655759980 412656654 /nfs/dbraw/zinc/65/66/54/412656654.db2.gz JFZMLUIMSYHEPE-JSGCOSHPSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000449344131 236029577 /nfs/dbraw/zinc/02/95/77/236029577.db2.gz BFDNWXBCBIVAEL-HZSPNIEDSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000449344131 236029580 /nfs/dbraw/zinc/02/95/80/236029580.db2.gz BFDNWXBCBIVAEL-HZSPNIEDSA-N 2 2 283.416 0.731 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](OC)C1 ZINC000381155681 357708102 /nfs/dbraw/zinc/70/81/02/357708102.db2.gz NPTGTRNCIDEBIS-CHWSQXEVSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](OC)C1 ZINC000381155681 357708107 /nfs/dbraw/zinc/70/81/07/357708107.db2.gz NPTGTRNCIDEBIS-CHWSQXEVSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](OC)C1 ZINC000381155681 357708112 /nfs/dbraw/zinc/70/81/12/357708112.db2.gz NPTGTRNCIDEBIS-CHWSQXEVSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](OC)C1 ZINC000381155681 357708117 /nfs/dbraw/zinc/70/81/17/357708117.db2.gz NPTGTRNCIDEBIS-CHWSQXEVSA-N 2 2 260.378 0.036 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000389166613 357735917 /nfs/dbraw/zinc/73/59/17/357735917.db2.gz ZPEJQURNPKTTKF-SOUVJXGZSA-N 3 2 269.433 0.715 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000389166613 357735920 /nfs/dbraw/zinc/73/59/20/357735920.db2.gz ZPEJQURNPKTTKF-SOUVJXGZSA-N 3 2 269.433 0.715 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000389166613 357735924 /nfs/dbraw/zinc/73/59/24/357735924.db2.gz ZPEJQURNPKTTKF-SOUVJXGZSA-N 3 2 269.433 0.715 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000389166613 357735925 /nfs/dbraw/zinc/73/59/25/357735925.db2.gz ZPEJQURNPKTTKF-SOUVJXGZSA-N 3 2 269.433 0.715 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)[C@@H](C[NH3+])C1 ZINC000403709893 357811802 /nfs/dbraw/zinc/81/18/02/357811802.db2.gz FNAUBDITQGHEQQ-LPWJVIDDSA-N 2 2 251.374 0.524 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)[C@@H](C[NH3+])C1 ZINC000403709893 357811804 /nfs/dbraw/zinc/81/18/04/357811804.db2.gz FNAUBDITQGHEQQ-LPWJVIDDSA-N 2 2 251.374 0.524 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCN2CCCC2=O)C[N@@H+]1C1CC1 ZINC000405514040 357826874 /nfs/dbraw/zinc/82/68/74/357826874.db2.gz ZQBOMXTZPRMABH-VXGBXAGGSA-N 2 2 251.374 0.824 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCN2CCCC2=O)C[N@H+]1C1CC1 ZINC000405514040 357826879 /nfs/dbraw/zinc/82/68/79/357826879.db2.gz ZQBOMXTZPRMABH-VXGBXAGGSA-N 2 2 251.374 0.824 20 0 CCADLP CC(C)[C@@H](CNC(=O)C[NH+]1CC(C)(C)C1)[NH+]1CCOCC1 ZINC000561106315 291116856 /nfs/dbraw/zinc/11/68/56/291116856.db2.gz IPOMJSYENRWWET-CQSZACIVSA-N 2 2 297.443 0.801 20 0 CCADLP C[C@H](C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)[NH+]1CC(C)C1 ZINC000561266207 291124986 /nfs/dbraw/zinc/12/49/86/291124986.db2.gz NJBHHHAEALVSHQ-ZNMIVQPWSA-N 2 2 295.427 0.506 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CC(C)(C)O)CC2)CC1 ZINC000408287174 358010543 /nfs/dbraw/zinc/01/05/43/358010543.db2.gz QDWPHDKULRRMLE-UHFFFAOYSA-N 2 2 297.443 0.822 20 0 CCADLP O[C@@H]1COC[C@@H]1[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000561273259 291125440 /nfs/dbraw/zinc/12/54/40/291125440.db2.gz CZQWOIOWQVOCEO-FRRDWIJNSA-N 2 2 263.341 0.575 20 0 CCADLP O[C@@H]1COC[C@@H]1[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000561273259 291125442 /nfs/dbraw/zinc/12/54/42/291125442.db2.gz CZQWOIOWQVOCEO-FRRDWIJNSA-N 2 2 263.341 0.575 20 0 CCADLP COCC[NH2+]CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000414868833 358124111 /nfs/dbraw/zinc/12/41/11/358124111.db2.gz FGOVMCSVNQJHRJ-MGPQQGTHSA-N 3 2 255.406 0.733 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000417413273 358132837 /nfs/dbraw/zinc/13/28/37/358132837.db2.gz GDHGTJYUKLFSDN-STQMWFEESA-N 2 2 298.431 0.476 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000417413273 358132841 /nfs/dbraw/zinc/13/28/41/358132841.db2.gz GDHGTJYUKLFSDN-STQMWFEESA-N 2 2 298.431 0.476 20 0 CCADLP C[C@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC[NH2+]1 ZINC000422840632 358194274 /nfs/dbraw/zinc/19/42/74/358194274.db2.gz UGNAFDHDUFSHQK-GXTWGEPZSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC[NH2+]1 ZINC000422840632 358194278 /nfs/dbraw/zinc/19/42/78/358194278.db2.gz UGNAFDHDUFSHQK-GXTWGEPZSA-N 2 2 281.400 0.450 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC(=O)NC(C)(C)C)C1 ZINC000430604429 358228683 /nfs/dbraw/zinc/22/86/83/358228683.db2.gz NDSWYYLCFPXFOJ-VXGBXAGGSA-N 2 2 298.431 0.931 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H](C)C(=O)NC(=O)NC(C)(C)C)C1 ZINC000430604429 358228687 /nfs/dbraw/zinc/22/86/87/358228687.db2.gz NDSWYYLCFPXFOJ-VXGBXAGGSA-N 2 2 298.431 0.931 20 0 CCADLP O=C(CC[N@H+](C1CC1)[C@H]1CC[NH2+]C1)N1CCOCC1 ZINC000435226736 358235851 /nfs/dbraw/zinc/23/58/51/358235851.db2.gz AYKUFMXWUPRJEG-ZDUSSCGKSA-N 2 2 267.373 0.062 20 0 CCADLP O=C(CC[N@@H+](C1CC1)[C@H]1CC[NH2+]C1)N1CCOCC1 ZINC000435226736 358235853 /nfs/dbraw/zinc/23/58/53/358235853.db2.gz AYKUFMXWUPRJEG-ZDUSSCGKSA-N 2 2 267.373 0.062 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCC(=O)N2)C[N@@H+]1C1CC1 ZINC000453447056 358268935 /nfs/dbraw/zinc/26/89/35/358268935.db2.gz ZBDUPNHWAVRVTR-JTNHKYCSSA-N 2 2 251.374 0.870 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCC(=O)N2)C[N@H+]1C1CC1 ZINC000453447056 358268936 /nfs/dbraw/zinc/26/89/36/358268936.db2.gz ZBDUPNHWAVRVTR-JTNHKYCSSA-N 2 2 251.374 0.870 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247237743 283360094 /nfs/dbraw/zinc/36/00/94/283360094.db2.gz ZABQDMAINCXBCC-CHWSQXEVSA-N 2 2 296.415 0.781 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247237743 283360095 /nfs/dbraw/zinc/36/00/95/283360095.db2.gz ZABQDMAINCXBCC-CHWSQXEVSA-N 2 2 296.415 0.781 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCCC(=O)NC(N)=O)C1 ZINC000517958030 358343428 /nfs/dbraw/zinc/34/34/28/358343428.db2.gz YZVVVTYBQBVCMQ-SNVBAGLBSA-N 2 2 279.344 0.185 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCCC(=O)NC(N)=O)C1 ZINC000517958030 358343431 /nfs/dbraw/zinc/34/34/31/358343431.db2.gz YZVVVTYBQBVCMQ-SNVBAGLBSA-N 2 2 279.344 0.185 20 0 CCADLP OCc1ccc(F)c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000530217538 358380682 /nfs/dbraw/zinc/38/06/82/358380682.db2.gz HPXZSGKRXFHLJI-BETUJISGSA-N 2 2 250.317 0.969 20 0 CCADLP OCc1ccc(F)c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000530217538 358380683 /nfs/dbraw/zinc/38/06/83/358380683.db2.gz HPXZSGKRXFHLJI-BETUJISGSA-N 2 2 250.317 0.969 20 0 CCADLP c1c[nH+]c(CN2CC[NH+](CCOC[C@H]3CCCO3)CC2)[nH]1 ZINC000530780300 358421330 /nfs/dbraw/zinc/42/13/30/358421330.db2.gz JIXNGFFJIOATLX-CQSZACIVSA-N 2 2 294.399 0.723 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](COC(F)F)C1 ZINC000567748578 358581065 /nfs/dbraw/zinc/58/10/65/358581065.db2.gz YTMPUEHFSJSTFO-NWDGAFQWSA-N 2 2 296.358 0.487 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](COC(F)F)C1 ZINC000567748578 358581067 /nfs/dbraw/zinc/58/10/67/358581067.db2.gz YTMPUEHFSJSTFO-NWDGAFQWSA-N 2 2 296.358 0.487 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000567748578 358581069 /nfs/dbraw/zinc/58/10/69/358581069.db2.gz YTMPUEHFSJSTFO-NWDGAFQWSA-N 2 2 296.358 0.487 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](COC(F)F)C1 ZINC000567748578 358581071 /nfs/dbraw/zinc/58/10/71/358581071.db2.gz YTMPUEHFSJSTFO-NWDGAFQWSA-N 2 2 296.358 0.487 20 0 CCADLP Cc1ccccc1[C@@H]([NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000294904034 199240076 /nfs/dbraw/zinc/24/00/76/199240076.db2.gz ZNZDMJHOBVMUTR-CQSZACIVSA-N 2 2 277.368 0.443 20 0 CCADLP CC(C)OC[C@H](O)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000567709231 358575359 /nfs/dbraw/zinc/57/53/59/358575359.db2.gz NBERUNBWABJTFI-WDEREUQCSA-N 2 2 253.346 0.643 20 0 CCADLP CC(C)OC[C@H](O)C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000567709231 358575360 /nfs/dbraw/zinc/57/53/60/358575360.db2.gz NBERUNBWABJTFI-WDEREUQCSA-N 2 2 253.346 0.643 20 0 CCADLP CC(C)OC[C@@H](O)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000567709229 358575599 /nfs/dbraw/zinc/57/55/99/358575599.db2.gz NBERUNBWABJTFI-MNOVXSKESA-N 2 2 253.346 0.643 20 0 CCADLP CC(C)OC[C@@H](O)C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000567709229 358575604 /nfs/dbraw/zinc/57/56/04/358575604.db2.gz NBERUNBWABJTFI-MNOVXSKESA-N 2 2 253.346 0.643 20 0 CCADLP COC(=O)CC[N@H+](C[C@H]1CCCO1)CC(C)(C)[NH3+] ZINC000567872340 358603561 /nfs/dbraw/zinc/60/35/61/358603561.db2.gz QTXRPPXVGWVHCD-LLVKDONJSA-N 2 2 258.362 0.768 20 0 CCADLP COC(=O)CC[N@@H+](C[C@H]1CCCO1)CC(C)(C)[NH3+] ZINC000567872340 358603563 /nfs/dbraw/zinc/60/35/63/358603563.db2.gz QTXRPPXVGWVHCD-LLVKDONJSA-N 2 2 258.362 0.768 20 0 CCADLP COC(=O)c1coc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000562499061 291155623 /nfs/dbraw/zinc/15/56/23/291155623.db2.gz VYDDNRTXTJMQKK-YGRLFVJLSA-N 2 2 282.340 0.783 20 0 CCADLP COC(=O)c1coc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000562499061 291155625 /nfs/dbraw/zinc/15/56/25/291155625.db2.gz VYDDNRTXTJMQKK-YGRLFVJLSA-N 2 2 282.340 0.783 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC(C)(C)OC[C@@H]1C ZINC000568167504 358639225 /nfs/dbraw/zinc/63/92/25/358639225.db2.gz HOSLSDAOZQJGCG-QWHCGFSZSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000568167504 358639230 /nfs/dbraw/zinc/63/92/30/358639230.db2.gz HOSLSDAOZQJGCG-QWHCGFSZSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000568167504 358639232 /nfs/dbraw/zinc/63/92/32/358639232.db2.gz HOSLSDAOZQJGCG-QWHCGFSZSA-N 2 2 274.405 0.425 20 0 CCADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000567826780 358595279 /nfs/dbraw/zinc/59/52/79/358595279.db2.gz PWZGQWBYDWZDQJ-FRRDWIJNSA-N 2 2 297.399 0.115 20 0 CCADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000567826780 358595285 /nfs/dbraw/zinc/59/52/85/358595285.db2.gz PWZGQWBYDWZDQJ-FRRDWIJNSA-N 2 2 297.399 0.115 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](n2cccn2)C1 ZINC000568178474 358642025 /nfs/dbraw/zinc/64/20/25/358642025.db2.gz PQCWGKAABPZDER-OLZOCXBDSA-N 2 2 252.362 0.443 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](n2cccn2)C1 ZINC000568178474 358642026 /nfs/dbraw/zinc/64/20/26/358642026.db2.gz PQCWGKAABPZDER-OLZOCXBDSA-N 2 2 252.362 0.443 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000568178474 358642027 /nfs/dbraw/zinc/64/20/27/358642027.db2.gz PQCWGKAABPZDER-OLZOCXBDSA-N 2 2 252.362 0.443 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000568178474 358642028 /nfs/dbraw/zinc/64/20/28/358642028.db2.gz PQCWGKAABPZDER-OLZOCXBDSA-N 2 2 252.362 0.443 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCOc3ccc(F)cc3)CCN2C1=O ZINC000568267993 358660252 /nfs/dbraw/zinc/66/02/52/358660252.db2.gz PNKACGFWYLKXOQ-TZMCWYRMSA-N 2 2 293.342 0.448 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCOc3ccc(F)cc3)CCN2C1=O ZINC000568267993 358660255 /nfs/dbraw/zinc/66/02/55/358660255.db2.gz PNKACGFWYLKXOQ-TZMCWYRMSA-N 2 2 293.342 0.448 20 0 CCADLP C[C@H]1C[N@H+](CCN2CC[C@]3(C2)CCC[NH2+]C3)CCO1 ZINC000568749241 358701635 /nfs/dbraw/zinc/70/16/35/358701635.db2.gz GXGUTRWJBXTQPB-LSDHHAIUSA-N 2 2 267.417 0.783 20 0 CCADLP C[C@H]1C[N@@H+](CCN2CC[C@]3(C2)CCC[NH2+]C3)CCO1 ZINC000568749241 358701636 /nfs/dbraw/zinc/70/16/36/358701636.db2.gz GXGUTRWJBXTQPB-LSDHHAIUSA-N 2 2 267.417 0.783 20 0 CCADLP CC[NH2+]CC1CCN(C(=O)[C@H]([NH3+])c2cscn2)CC1 ZINC000569359908 358758376 /nfs/dbraw/zinc/75/83/76/358758376.db2.gz XOXBMVSFHDPUCT-GFCCVEGCSA-N 2 2 282.413 0.991 20 0 CCADLP [NH3+]C[C@@H](NC(=O)C1CC[NH+](CC(F)F)CC1)C1CC1 ZINC000569449035 358764374 /nfs/dbraw/zinc/76/43/74/358764374.db2.gz WXBDNHDRLDCCPG-LLVKDONJSA-N 2 2 275.343 0.817 20 0 CCADLP Cc1cc(NC(=O)NC[C@H]2C[NH2+]CCCO2)c(C)c[nH+]1 ZINC000570062094 358820070 /nfs/dbraw/zinc/82/00/70/358820070.db2.gz QDUBGEHUYBYTJG-GFCCVEGCSA-N 2 2 278.356 0.620 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@H]2CCCCS2)[C@@H](C[NH3+])C1 ZINC000569558704 358773187 /nfs/dbraw/zinc/77/31/87/358773187.db2.gz IAFDJDUZDNVEMS-NWDGAFQWSA-N 2 2 286.445 0.556 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@H]2CCCCS2)[C@@H](C[NH3+])C1 ZINC000569558704 358773188 /nfs/dbraw/zinc/77/31/88/358773188.db2.gz IAFDJDUZDNVEMS-NWDGAFQWSA-N 2 2 286.445 0.556 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)CC1(C)C)[NH+]1CC(C)C1 ZINC000569620784 358780872 /nfs/dbraw/zinc/78/08/72/358780872.db2.gz FSHFLFHAYKVGKQ-GFCCVEGCSA-N 2 2 253.390 0.879 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)CC1(C)C)[NH+]1CC(C)C1 ZINC000569620784 358780874 /nfs/dbraw/zinc/78/08/74/358780874.db2.gz FSHFLFHAYKVGKQ-GFCCVEGCSA-N 2 2 253.390 0.879 20 0 CCADLP COC(=O)CC1(C[N@H+]2CC[C@@H](OC)C[C@H]2C[NH3+])CC1 ZINC000569810718 358795570 /nfs/dbraw/zinc/79/55/70/358795570.db2.gz AMZGIJOEKGRKHC-NWDGAFQWSA-N 2 2 270.373 0.768 20 0 CCADLP COC(=O)CC1(C[N@@H+]2CC[C@@H](OC)C[C@H]2C[NH3+])CC1 ZINC000569810718 358795574 /nfs/dbraw/zinc/79/55/74/358795574.db2.gz AMZGIJOEKGRKHC-NWDGAFQWSA-N 2 2 270.373 0.768 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCC2CCOCC2)[C@@H](C[NH3+])C1 ZINC000569843602 358799300 /nfs/dbraw/zinc/79/93/00/358799300.db2.gz YLQSACQMYGWPLJ-ZDUSSCGKSA-N 2 2 269.389 0.295 20 0 CCADLP C[N@H+]1CCN(C(=O)CCC2CCOCC2)[C@@H](C[NH3+])C1 ZINC000569843602 358799304 /nfs/dbraw/zinc/79/93/04/358799304.db2.gz YLQSACQMYGWPLJ-ZDUSSCGKSA-N 2 2 269.389 0.295 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000569850369 358800628 /nfs/dbraw/zinc/80/06/28/358800628.db2.gz JKTRIIXTGBSDPB-RNJOBUHISA-N 2 2 269.389 0.291 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000569850369 358800629 /nfs/dbraw/zinc/80/06/29/358800629.db2.gz JKTRIIXTGBSDPB-RNJOBUHISA-N 2 2 269.389 0.291 20 0 CCADLP COCC[NH2+]CCNC(=O)Nc1cc(C)[nH+]cc1C ZINC000570183307 358831284 /nfs/dbraw/zinc/83/12/84/358831284.db2.gz MORMCXJZUOTEDN-UHFFFAOYSA-N 2 2 266.345 0.478 20 0 CCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)Cc1c[nH+]cn1C ZINC000571115909 358913985 /nfs/dbraw/zinc/91/39/85/358913985.db2.gz AIBNIOVXDPJGTJ-UHFFFAOYSA-N 2 2 294.399 0.532 20 0 CCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)Cc1c[nH+]cn1C ZINC000571115909 358913989 /nfs/dbraw/zinc/91/39/89/358913989.db2.gz AIBNIOVXDPJGTJ-UHFFFAOYSA-N 2 2 294.399 0.532 20 0 CCADLP C[C@H](c1cnccn1)[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000571166088 358917364 /nfs/dbraw/zinc/91/73/64/358917364.db2.gz RXMVYNJHIOXJAA-OLZOCXBDSA-N 2 2 289.383 0.434 20 0 CCADLP C[C@H](c1cnccn1)[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000571166088 358917368 /nfs/dbraw/zinc/91/73/68/358917368.db2.gz RXMVYNJHIOXJAA-OLZOCXBDSA-N 2 2 289.383 0.434 20 0 CCADLP COC[C@]1(C(=O)Nc2c[nH+]ccc2OC)CC[NH2+]C1 ZINC000571050239 358907721 /nfs/dbraw/zinc/90/77/21/358907721.db2.gz PLQYDJNNRDXMNV-ZDUSSCGKSA-N 2 2 265.313 0.655 20 0 CCADLP CC[C@@H]1C[N@H+](CCNc2cc[nH+]cc2C(N)=O)CCO1 ZINC000573388958 358963114 /nfs/dbraw/zinc/96/31/14/358963114.db2.gz IOWAEDCVFPSPNL-LLVKDONJSA-N 2 2 278.356 0.125 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNc2cc[nH+]cc2C(N)=O)CCO1 ZINC000573388958 358963117 /nfs/dbraw/zinc/96/31/17/358963117.db2.gz IOWAEDCVFPSPNL-LLVKDONJSA-N 2 2 278.356 0.125 20 0 CCADLP C[N@@H+]1CCN(Cc2cc(C(F)(F)F)n[nH]2)[C@@H](C[NH3+])C1 ZINC000573445920 358967247 /nfs/dbraw/zinc/96/72/47/358967247.db2.gz ZYNKVVUFYZZOCX-VIFPVBQESA-N 2 2 277.294 0.503 20 0 CCADLP C[N@H+]1CCN(Cc2cc(C(F)(F)F)n[nH]2)[C@@H](C[NH3+])C1 ZINC000573445920 358967249 /nfs/dbraw/zinc/96/72/49/358967249.db2.gz ZYNKVVUFYZZOCX-VIFPVBQESA-N 2 2 277.294 0.503 20 0 CCADLP C[C@H]1C[N@H+](CCN2CCN(c3[nH]cc[nH+]3)CC2)CCO1 ZINC000573455676 358968498 /nfs/dbraw/zinc/96/84/98/358968498.db2.gz MTPHGKHCMUTOCW-ZDUSSCGKSA-N 2 2 279.388 0.252 20 0 CCADLP C[C@H]1C[N@@H+](CCN2CCN(c3[nH]cc[nH+]3)CC2)CCO1 ZINC000573455676 358968506 /nfs/dbraw/zinc/96/85/06/358968506.db2.gz MTPHGKHCMUTOCW-ZDUSSCGKSA-N 2 2 279.388 0.252 20 0 CCADLP C[C@H]1CN(CC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)CCO1 ZINC000573455676 358968510 /nfs/dbraw/zinc/96/85/10/358968510.db2.gz MTPHGKHCMUTOCW-ZDUSSCGKSA-N 2 2 279.388 0.252 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+]C[C@H]2CCC[N@H+]2C)no1 ZINC000573479353 358971141 /nfs/dbraw/zinc/97/11/41/358971141.db2.gz VULSFZJGDIUNBU-LLVKDONJSA-N 2 2 266.345 0.417 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+]C[C@H]2CCC[N@@H+]2C)no1 ZINC000573479353 358971143 /nfs/dbraw/zinc/97/11/43/358971143.db2.gz VULSFZJGDIUNBU-LLVKDONJSA-N 2 2 266.345 0.417 20 0 CCADLP O[C@@H]1COC[C@@H]1[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000571221671 358923974 /nfs/dbraw/zinc/92/39/74/358923974.db2.gz DYIGKPCQWPZWII-FRRDWIJNSA-N 2 2 250.298 0.294 20 0 CCADLP O[C@@H]1COC[C@@H]1[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000571221671 358923975 /nfs/dbraw/zinc/92/39/75/358923975.db2.gz DYIGKPCQWPZWII-FRRDWIJNSA-N 2 2 250.298 0.294 20 0 CCADLP COC(C)(C)C[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000562804346 291168001 /nfs/dbraw/zinc/16/80/01/291168001.db2.gz GWGDPHDXOQTVII-NEPJUHHUSA-N 2 2 286.420 0.474 20 0 CCADLP CNC(=O)CCC[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000574170758 359035967 /nfs/dbraw/zinc/03/59/67/359035967.db2.gz SAGBJSAOECBXHL-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP CNC(=O)CCC[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000574170758 359035970 /nfs/dbraw/zinc/03/59/70/359035970.db2.gz SAGBJSAOECBXHL-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP CN(CCC[NH3+])C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000580763424 359090970 /nfs/dbraw/zinc/09/09/70/359090970.db2.gz BNAPSPVSRFKGIO-UHFFFAOYSA-N 2 2 272.393 0.087 20 0 CCADLP CN(CCC[NH3+])C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000580763424 359090978 /nfs/dbraw/zinc/09/09/78/359090978.db2.gz BNAPSPVSRFKGIO-UHFFFAOYSA-N 2 2 272.393 0.087 20 0 CCADLP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)NCC1CC1 ZINC000580834724 359098531 /nfs/dbraw/zinc/09/85/31/359098531.db2.gz UYGYMWXCXCAPJR-CQSZACIVSA-N 2 2 251.374 0.588 20 0 CCADLP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)NCC1CC1 ZINC000580834724 359098537 /nfs/dbraw/zinc/09/85/37/359098537.db2.gz UYGYMWXCXCAPJR-CQSZACIVSA-N 2 2 251.374 0.588 20 0 CCADLP CN(C)c1nc(NC[C@H]2CCc3[nH+]ccn3C2)cc[nH+]1 ZINC000580973375 359116989 /nfs/dbraw/zinc/11/69/89/359116989.db2.gz CTZWLAIALKQFBB-LLVKDONJSA-N 2 2 272.356 0.836 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)N(C)CCC[NH3+] ZINC000584666498 359190559 /nfs/dbraw/zinc/19/05/59/359190559.db2.gz XTCGXDDSSCFEEI-SNVBAGLBSA-N 2 2 253.350 0.954 20 0 CCADLP Cc1nn(C(C)C)cc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000582371198 359140705 /nfs/dbraw/zinc/14/07/05/359140705.db2.gz QMBUJOWECDQNFQ-KGLIPLIRSA-N 2 2 291.399 0.516 20 0 CCADLP Cc1nn(C(C)C)cc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000582371198 359140709 /nfs/dbraw/zinc/14/07/09/359140709.db2.gz QMBUJOWECDQNFQ-KGLIPLIRSA-N 2 2 291.399 0.516 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000584586511 359175072 /nfs/dbraw/zinc/17/50/72/359175072.db2.gz DPFABESGUMDPHH-DGCLKSJQSA-N 3 2 264.373 0.243 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000584586511 359175075 /nfs/dbraw/zinc/17/50/75/359175075.db2.gz DPFABESGUMDPHH-DGCLKSJQSA-N 3 2 264.373 0.243 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCn2ccnc2C1)C1CC1 ZINC000584586511 359175077 /nfs/dbraw/zinc/17/50/77/359175077.db2.gz DPFABESGUMDPHH-DGCLKSJQSA-N 2 2 264.373 0.243 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCn2ccnc2C1)C1CC1 ZINC000584586511 359175080 /nfs/dbraw/zinc/17/50/80/359175080.db2.gz DPFABESGUMDPHH-DGCLKSJQSA-N 2 2 264.373 0.243 20 0 CCADLP CSC[C@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000585718336 359266373 /nfs/dbraw/zinc/26/63/73/359266373.db2.gz CYUWVETXTLGHFB-UONOGXRCSA-N 2 2 288.457 0.897 20 0 CCADLP CSC[C@H](O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000585718336 359266377 /nfs/dbraw/zinc/26/63/77/359266377.db2.gz CYUWVETXTLGHFB-UONOGXRCSA-N 2 2 288.457 0.897 20 0 CCADLP C[NH+](C)CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000589322373 359378000 /nfs/dbraw/zinc/37/80/00/359378000.db2.gz HOGXKVXDFSXMFS-UHFFFAOYSA-N 3 2 277.372 0.334 20 0 CCADLP CSCCC[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000562995741 291179656 /nfs/dbraw/zinc/17/96/56/291179656.db2.gz MHWXNKBVHZJFCI-AVGNSLFASA-N 2 2 276.446 0.799 20 0 CCADLP C[C@@H](CNC(=O)/C=C\C[NH+](C)C)Cn1cc[nH+]c1 ZINC000492084106 237070244 /nfs/dbraw/zinc/07/02/44/237070244.db2.gz AEXFCSYRAFNWQT-RXNFCKPNSA-N 2 2 250.346 0.753 20 0 CCADLP CS[C@H]1CN(c2nc[nH+]c3c2OCCN3)C[C@H]1[NH+](C)C ZINC000591151368 359564106 /nfs/dbraw/zinc/56/41/06/359564106.db2.gz KJBMKBCKPRYTKB-ZJUUUORDSA-N 2 2 295.412 0.763 20 0 CCADLP Cc1cccn2cc(CC[NH2+]CCC(=O)NC(N)=O)[nH+]c12 ZINC000591748262 359652483 /nfs/dbraw/zinc/65/24/83/359652483.db2.gz DNUUSEYOFHQFDT-UHFFFAOYSA-N 2 2 289.339 0.360 20 0 CCADLP C[C@H](O)C[N@H+](C)C1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492773751 237290207 /nfs/dbraw/zinc/29/02/07/237290207.db2.gz VQOWACSSFHDNQG-MVZIDQBPSA-N 2 2 292.383 0.727 20 0 CCADLP C[C@H](O)C[N@@H+](C)C1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000492773751 237290212 /nfs/dbraw/zinc/29/02/12/237290212.db2.gz VQOWACSSFHDNQG-MVZIDQBPSA-N 2 2 292.383 0.727 20 0 CCADLP COCC1(CCNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000563091615 291190977 /nfs/dbraw/zinc/19/09/77/291190977.db2.gz CTUPSKQHZLEERE-LBPRGKRZSA-N 2 2 284.404 0.087 20 0 CCADLP COCC1(CCNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000563091615 291190978 /nfs/dbraw/zinc/19/09/78/291190978.db2.gz CTUPSKQHZLEERE-LBPRGKRZSA-N 2 2 284.404 0.087 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)[C@H](C)C1 ZINC000493083846 237388191 /nfs/dbraw/zinc/38/81/91/237388191.db2.gz AKKOWWAQENWIAU-LXYZTQFVSA-N 2 2 278.356 0.336 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)/C=C/c2[nH]cc[nH+]2)[C@H](C)C1 ZINC000493083846 237388201 /nfs/dbraw/zinc/38/82/01/237388201.db2.gz AKKOWWAQENWIAU-LXYZTQFVSA-N 2 2 278.356 0.336 20 0 CCADLP COC(=O)[C@H](C1CC1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592184513 359778782 /nfs/dbraw/zinc/77/87/82/359778782.db2.gz MOHKDQIBICHPQZ-ZDUSSCGKSA-N 2 2 282.384 0.735 20 0 CCADLP COC(=O)[C@H](C1CC1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592184513 359778785 /nfs/dbraw/zinc/77/87/85/359778785.db2.gz MOHKDQIBICHPQZ-ZDUSSCGKSA-N 2 2 282.384 0.735 20 0 CCADLP CCN1CC[NH+]([C@H]2CCN(C(=O)C[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000592134234 359762858 /nfs/dbraw/zinc/76/28/58/359762858.db2.gz LRXRJRIWCZWHQY-GJZGRUSLSA-N 2 2 294.443 0.367 20 0 CCADLP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000620622953 366548635 /nfs/dbraw/zinc/54/86/35/366548635.db2.gz BAADNVGSPQXYKA-LBPRGKRZSA-N 2 2 271.405 0.554 20 0 CCADLP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC000620622953 366548641 /nfs/dbraw/zinc/54/86/41/366548641.db2.gz BAADNVGSPQXYKA-LBPRGKRZSA-N 2 2 271.405 0.554 20 0 CCADLP CCC[NH+](C)CC(C)(C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000620622953 366548646 /nfs/dbraw/zinc/54/86/46/366548646.db2.gz BAADNVGSPQXYKA-LBPRGKRZSA-N 2 2 271.405 0.554 20 0 CCADLP CCC[NH+](C)CC(C)(C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000620622953 366548649 /nfs/dbraw/zinc/54/86/49/366548649.db2.gz BAADNVGSPQXYKA-LBPRGKRZSA-N 2 2 271.405 0.554 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000297703321 200265483 /nfs/dbraw/zinc/26/54/83/200265483.db2.gz XPKCGHAWZGITLE-RYUDHWBXSA-N 2 2 280.372 0.105 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000297703321 200265484 /nfs/dbraw/zinc/26/54/84/200265484.db2.gz XPKCGHAWZGITLE-RYUDHWBXSA-N 2 2 280.372 0.105 20 0 CCADLP CC(C)(C)OC(=O)[C@H]1C[N@H+](CCn2cc[nH+]c2)CCO1 ZINC000611225297 363688313 /nfs/dbraw/zinc/68/83/13/363688313.db2.gz WJHNGFFOUXXERW-GFCCVEGCSA-N 2 2 281.356 0.926 20 0 CCADLP CC(C)(C)OC(=O)[C@H]1C[N@@H+](CCn2cc[nH+]c2)CCO1 ZINC000611225297 363688316 /nfs/dbraw/zinc/68/83/16/363688316.db2.gz WJHNGFFOUXXERW-GFCCVEGCSA-N 2 2 281.356 0.926 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000684822786 545744228 /nfs/dbraw/zinc/74/42/28/545744228.db2.gz OBWCSMIRMHTANC-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000684822786 545744232 /nfs/dbraw/zinc/74/42/32/545744232.db2.gz OBWCSMIRMHTANC-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@@H]1C[NH+](C)CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000684822786 545744237 /nfs/dbraw/zinc/74/42/37/545744237.db2.gz OBWCSMIRMHTANC-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@@H]1C[NH+](C)CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000684822786 545744241 /nfs/dbraw/zinc/74/42/41/545744241.db2.gz OBWCSMIRMHTANC-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000563244715 291209071 /nfs/dbraw/zinc/20/90/71/291209071.db2.gz CKGVEFIDZMDJHO-ZDUSSCGKSA-N 2 2 282.388 0.919 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000563244715 291209074 /nfs/dbraw/zinc/20/90/74/291209074.db2.gz CKGVEFIDZMDJHO-ZDUSSCGKSA-N 2 2 282.388 0.919 20 0 CCADLP C[NH+](C)CCC[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC000620968181 366609386 /nfs/dbraw/zinc/60/93/86/366609386.db2.gz ZSUQNHZYUGAAHJ-AWEZNQCLSA-N 2 2 294.399 0.842 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000620974665 366610711 /nfs/dbraw/zinc/61/07/11/366610711.db2.gz MIECEZZQRBUGLD-CQSZACIVSA-N 2 2 294.399 0.532 20 0 CCADLP C[NH+](C)CCC[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CCO1 ZINC000620976758 366612138 /nfs/dbraw/zinc/61/21/38/366612138.db2.gz LSWUKCYCUAMMCJ-ZDUSSCGKSA-N 2 2 294.399 0.912 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000621155328 366656212 /nfs/dbraw/zinc/65/62/12/366656212.db2.gz CXQNUWPAXQYFML-STQMWFEESA-N 2 2 269.389 0.164 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000621155328 366656214 /nfs/dbraw/zinc/65/62/14/366656214.db2.gz CXQNUWPAXQYFML-STQMWFEESA-N 2 2 269.389 0.164 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000563350888 291215913 /nfs/dbraw/zinc/21/59/13/291215913.db2.gz STDBMDVPGYXSHZ-MCIONIFRSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000563350888 291215915 /nfs/dbraw/zinc/21/59/15/291215915.db2.gz STDBMDVPGYXSHZ-MCIONIFRSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000563350888 291215916 /nfs/dbraw/zinc/21/59/16/291215916.db2.gz STDBMDVPGYXSHZ-MCIONIFRSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000563350888 291215917 /nfs/dbraw/zinc/21/59/17/291215917.db2.gz STDBMDVPGYXSHZ-MCIONIFRSA-N 2 2 274.405 0.018 20 0 CCADLP COC(=O)[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CCCCC1 ZINC000593905379 360202626 /nfs/dbraw/zinc/20/26/26/360202626.db2.gz DRIFBLFCFKTJPO-QWHCGFSZSA-N 2 2 299.415 0.504 20 0 CCADLP COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593905990 360202922 /nfs/dbraw/zinc/20/29/22/360202922.db2.gz FMZPRBZOYQHYPR-RNJOBUHISA-N 2 2 297.399 0.066 20 0 CCADLP CC[C@H]([NH2+]Cc1c[nH+]cn1C)C(=O)N1CCOCC1 ZINC000176804683 189009888 /nfs/dbraw/zinc/00/98/88/189009888.db2.gz HSEODEORRUMPRW-LBPRGKRZSA-N 2 2 266.345 0.147 20 0 CCADLP CCOC(=O)COCC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000593968725 360225196 /nfs/dbraw/zinc/22/51/96/360225196.db2.gz YELDVIXOOVKUBS-LBPRGKRZSA-N 2 2 281.356 0.789 20 0 CCADLP CCOC(=O)COCC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000593968725 360225199 /nfs/dbraw/zinc/22/51/99/360225199.db2.gz YELDVIXOOVKUBS-LBPRGKRZSA-N 2 2 281.356 0.789 20 0 CCADLP CC(C)[NH2+][C@H]1CCC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000594749317 360376201 /nfs/dbraw/zinc/37/62/01/360376201.db2.gz OSZLZOAJRIZCGF-UONOGXRCSA-N 2 2 266.389 0.706 20 0 CCADLP CC(C)[NH2+][C@H]1CCC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000594749317 360376208 /nfs/dbraw/zinc/37/62/08/360376208.db2.gz OSZLZOAJRIZCGF-UONOGXRCSA-N 2 2 266.389 0.706 20 0 CCADLP CC[N@@H+]1CCC[C@H]([NH2+]C[C@H]2CNc3ccnn3C2)C1 ZINC000595146432 360443640 /nfs/dbraw/zinc/44/36/40/360443640.db2.gz FCCRRQSTFYTNHK-STQMWFEESA-N 2 2 263.389 0.999 20 0 CCADLP CC[N@H+]1CCC[C@H]([NH2+]C[C@H]2CNc3ccnn3C2)C1 ZINC000595146432 360443645 /nfs/dbraw/zinc/44/36/45/360443645.db2.gz FCCRRQSTFYTNHK-STQMWFEESA-N 2 2 263.389 0.999 20 0 CCADLP c1cc2n(n1)C[C@@H](C[NH2+][C@H]1CC[N@@H+](C3CC3)C1)CN2 ZINC000595148517 360445200 /nfs/dbraw/zinc/44/52/00/360445200.db2.gz YAHVACCTCHWCKH-RYUDHWBXSA-N 2 2 261.373 0.751 20 0 CCADLP c1cc2n(n1)C[C@@H](C[NH2+][C@H]1CC[N@H+](C3CC3)C1)CN2 ZINC000595148517 360445205 /nfs/dbraw/zinc/44/52/05/360445205.db2.gz YAHVACCTCHWCKH-RYUDHWBXSA-N 2 2 261.373 0.751 20 0 CCADLP Cc1ccc2[nH+]c(CN3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)cn2c1 ZINC000594875162 360406135 /nfs/dbraw/zinc/40/61/35/360406135.db2.gz ZFCVSJWBHBIOBD-KGLIPLIRSA-N 2 2 299.378 0.387 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1)[C@@H]1CCC[NH2+]1 ZINC000423012115 299310503 /nfs/dbraw/zinc/31/05/03/299310503.db2.gz CKYOSVOZIYQEGS-ZDEQEGDKSA-N 2 2 269.389 0.352 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595508385 360554726 /nfs/dbraw/zinc/55/47/26/360554726.db2.gz WZJRLNGQIPJWLQ-HNNXBMFYSA-N 2 2 296.415 0.640 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595508385 360554728 /nfs/dbraw/zinc/55/47/28/360554728.db2.gz WZJRLNGQIPJWLQ-HNNXBMFYSA-N 2 2 296.415 0.640 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595508385 360554730 /nfs/dbraw/zinc/55/47/30/360554730.db2.gz WZJRLNGQIPJWLQ-HNNXBMFYSA-N 2 2 296.415 0.640 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595508385 360554733 /nfs/dbraw/zinc/55/47/33/360554733.db2.gz WZJRLNGQIPJWLQ-HNNXBMFYSA-N 2 2 296.415 0.640 20 0 CCADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)NC(=O)NC1CC1)C2 ZINC000595508900 360556302 /nfs/dbraw/zinc/55/63/02/360556302.db2.gz ZQXOAZPUGBRYPW-OAHLLOKOSA-N 2 2 294.399 0.392 20 0 CCADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)NC(=O)NC1CC1)C2 ZINC000595508900 360556308 /nfs/dbraw/zinc/55/63/08/360556308.db2.gz ZQXOAZPUGBRYPW-OAHLLOKOSA-N 2 2 294.399 0.392 20 0 CCADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC(=O)NC(=O)NC1CC1)C2 ZINC000595508900 360556317 /nfs/dbraw/zinc/55/63/17/360556317.db2.gz ZQXOAZPUGBRYPW-OAHLLOKOSA-N 2 2 294.399 0.392 20 0 CCADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC(=O)NC(=O)NC1CC1)C2 ZINC000595508900 360556324 /nfs/dbraw/zinc/55/63/24/360556324.db2.gz ZQXOAZPUGBRYPW-OAHLLOKOSA-N 2 2 294.399 0.392 20 0 CCADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[C@@H]([NH3+])C1 ZINC000178350497 189109623 /nfs/dbraw/zinc/10/96/23/189109623.db2.gz XEUIRGSQCOZMIC-LLVKDONJSA-N 2 2 258.325 0.904 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@H](C2CC2)C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000563498201 291233461 /nfs/dbraw/zinc/23/34/61/291233461.db2.gz OHQPRJDIUYLVTM-VHSXEESVSA-N 2 2 294.321 0.612 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@H](C2CC2)C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000563498201 291233462 /nfs/dbraw/zinc/23/34/62/291233462.db2.gz OHQPRJDIUYLVTM-VHSXEESVSA-N 2 2 294.321 0.612 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(=O)OC)[C@H](C)C1 ZINC000595819728 360666874 /nfs/dbraw/zinc/66/68/74/360666874.db2.gz PYNOKKQKJAWPEI-AGIUHOORSA-N 2 2 272.389 0.430 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(=O)OC)[C@H](C)C1 ZINC000595819728 360666879 /nfs/dbraw/zinc/66/68/79/360666879.db2.gz PYNOKKQKJAWPEI-AGIUHOORSA-N 2 2 272.389 0.430 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C(=O)OC)[C@H](C)C1 ZINC000595819728 360666886 /nfs/dbraw/zinc/66/68/86/360666886.db2.gz PYNOKKQKJAWPEI-AGIUHOORSA-N 2 2 272.389 0.430 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C(=O)OC)[C@H](C)C1 ZINC000595819728 360666890 /nfs/dbraw/zinc/66/68/90/360666890.db2.gz PYNOKKQKJAWPEI-AGIUHOORSA-N 2 2 272.389 0.430 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+](C)CC(C)(C)[NH3+] ZINC000595904046 360698670 /nfs/dbraw/zinc/69/86/70/360698670.db2.gz XHTUYNCPEDBCAG-VIFPVBQESA-N 2 2 272.393 0.668 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+](C)CC(C)(C)[NH3+] ZINC000595904046 360698672 /nfs/dbraw/zinc/69/86/72/360698672.db2.gz XHTUYNCPEDBCAG-VIFPVBQESA-N 2 2 272.393 0.668 20 0 CCADLP COC(=O)[C@@H]1CC[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C[C@@H]1C ZINC000595905910 360699452 /nfs/dbraw/zinc/69/94/52/360699452.db2.gz XRCVVMLVCYHIOB-VHSXEESVSA-N 2 2 296.371 0.894 20 0 CCADLP COC(=O)[C@@H]1CC[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C[C@@H]1C ZINC000595905910 360699456 /nfs/dbraw/zinc/69/94/56/360699456.db2.gz XRCVVMLVCYHIOB-VHSXEESVSA-N 2 2 296.371 0.894 20 0 CCADLP C[C@H]1OCC[C@]1(O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000227121921 291237624 /nfs/dbraw/zinc/23/76/24/291237624.db2.gz DDIIIVKMOPNVHU-MFKMUULPSA-N 2 2 268.361 0.116 20 0 CCADLP COCCC(C)(C)CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000563584976 291238926 /nfs/dbraw/zinc/23/89/26/291238926.db2.gz ZOIGAMHIBGSWLR-LBPRGKRZSA-N 2 2 286.420 0.333 20 0 CCADLP COCCC(C)(C)CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000563584976 291238928 /nfs/dbraw/zinc/23/89/28/291238928.db2.gz ZOIGAMHIBGSWLR-LBPRGKRZSA-N 2 2 286.420 0.333 20 0 CCADLP CO[C@H]1C[C@@H](CN(C)C(=O)/C=C/c2[nH]cc[nH+]2)[N@@H+](C)C1 ZINC000493528764 238193420 /nfs/dbraw/zinc/19/34/20/238193420.db2.gz UCIMAMVAIDTRAJ-XMXMHJJKSA-N 2 2 278.356 0.600 20 0 CCADLP O=C(Cc1cn2ccccc2[nH+]1)NCC[C@H]1CC[NH2+]C1 ZINC000178938617 189155853 /nfs/dbraw/zinc/15/58/53/189155853.db2.gz PXPOBDSBAFHVOA-GFCCVEGCSA-N 2 2 272.352 0.993 20 0 CCADLP C[NH+](C)CCn1ccc(=NC(=O)/C=C/c2[nH]cc[nH+]2)[nH]1 ZINC000493543588 238195522 /nfs/dbraw/zinc/19/55/22/238195522.db2.gz BFPPUBINKHNGFN-ONEGZZNKSA-N 2 2 274.328 0.242 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000493555725 238200492 /nfs/dbraw/zinc/20/04/92/238200492.db2.gz MMJLVQLOCPNTQT-ZFDPJTLLSA-N 2 2 278.356 0.386 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)S(C)(=O)=O ZINC000563691366 291246849 /nfs/dbraw/zinc/24/68/49/291246849.db2.gz DCUADLYVHGYBKS-LPWJVIDDSA-N 2 2 274.430 0.882 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)S(C)(=O)=O ZINC000563691366 291246850 /nfs/dbraw/zinc/24/68/50/291246850.db2.gz DCUADLYVHGYBKS-LPWJVIDDSA-N 2 2 274.430 0.882 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563711647 291247996 /nfs/dbraw/zinc/24/79/96/291247996.db2.gz ANZCRGWWWNBVPD-XHDPSFHLSA-N 2 2 294.399 0.439 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563711647 291247997 /nfs/dbraw/zinc/24/79/97/291247997.db2.gz ANZCRGWWWNBVPD-XHDPSFHLSA-N 2 2 294.399 0.439 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+]C/C=C\CO)CC1 ZINC000597186847 361026374 /nfs/dbraw/zinc/02/63/74/361026374.db2.gz MFYNATXPLFHYON-IHWYPQMZSA-N 2 2 270.373 0.542 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@H+](CCS(=O)(=O)NC)C1 ZINC000621260803 366685882 /nfs/dbraw/zinc/68/58/82/366685882.db2.gz QYKSYECDZYULQL-GFCCVEGCSA-N 2 2 277.434 0.199 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CCS(=O)(=O)NC)C1 ZINC000621260803 366685890 /nfs/dbraw/zinc/68/58/90/366685890.db2.gz QYKSYECDZYULQL-GFCCVEGCSA-N 2 2 277.434 0.199 20 0 CCADLP COc1cnc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])s1 ZINC000563873190 291255133 /nfs/dbraw/zinc/25/51/33/291255133.db2.gz NJUUOQFZIAYDPA-QMMMGPOBSA-N 2 2 285.373 0.258 20 0 CCADLP COc1cnc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])s1 ZINC000563873190 291255135 /nfs/dbraw/zinc/25/51/35/291255135.db2.gz NJUUOQFZIAYDPA-QMMMGPOBSA-N 2 2 285.373 0.258 20 0 CCADLP C[N@@H+](Cc1ncccc1C(F)(F)F)C[C@@H](O)C[NH3+] ZINC000631827642 370694975 /nfs/dbraw/zinc/69/49/75/370694975.db2.gz SGKCCICIQPCULF-QMMMGPOBSA-N 2 2 263.263 0.852 20 0 CCADLP C[N@H+](Cc1ncccc1C(F)(F)F)C[C@@H](O)C[NH3+] ZINC000631827642 370694980 /nfs/dbraw/zinc/69/49/80/370694980.db2.gz SGKCCICIQPCULF-QMMMGPOBSA-N 2 2 263.263 0.852 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccccn2)C[C@@H]1C[NH3+] ZINC000631828094 370694197 /nfs/dbraw/zinc/69/41/97/370694197.db2.gz FCSZQTDTZAOGOO-RYUDHWBXSA-N 2 2 262.357 0.937 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccccn2)C[C@@H]1C[NH3+] ZINC000631828094 370694201 /nfs/dbraw/zinc/69/42/01/370694201.db2.gz FCSZQTDTZAOGOO-RYUDHWBXSA-N 2 2 262.357 0.937 20 0 CCADLP [NH3+]CC1(O)CC[NH+](Cc2nc(CC3CC3)no2)CC1 ZINC000631828206 370694375 /nfs/dbraw/zinc/69/43/75/370694375.db2.gz ITSVRRUIKSPWSS-UHFFFAOYSA-N 2 2 266.345 0.308 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCc2c(cnn2C)C1 ZINC000564098372 291266241 /nfs/dbraw/zinc/26/62/41/291266241.db2.gz NIZSBWYJWVZUFN-AWEZNQCLSA-N 2 2 296.415 0.107 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCc2c(cnn2C)C1 ZINC000564098372 291266242 /nfs/dbraw/zinc/26/62/42/291266242.db2.gz NIZSBWYJWVZUFN-AWEZNQCLSA-N 2 2 296.415 0.107 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCc2c(cnn2C)C1 ZINC000564098372 291266243 /nfs/dbraw/zinc/26/62/43/291266243.db2.gz NIZSBWYJWVZUFN-AWEZNQCLSA-N 2 2 296.415 0.107 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCc2c(cnn2C)C1 ZINC000564098372 291266244 /nfs/dbraw/zinc/26/62/44/291266244.db2.gz NIZSBWYJWVZUFN-AWEZNQCLSA-N 2 2 296.415 0.107 20 0 CCADLP Cc1ccc(COCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000621624410 366810998 /nfs/dbraw/zinc/81/09/98/366810998.db2.gz IARUVPHPTFBXKS-OAHLLOKOSA-N 2 2 291.395 0.613 20 0 CCADLP Cc1ccc(COCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000621624410 366811002 /nfs/dbraw/zinc/81/10/02/366811002.db2.gz IARUVPHPTFBXKS-OAHLLOKOSA-N 2 2 291.395 0.613 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000621642463 366815667 /nfs/dbraw/zinc/81/56/67/366815667.db2.gz NQRLOUYNWPUXGP-ZIAGYGMSSA-N 2 2 283.416 0.603 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000621642463 366815671 /nfs/dbraw/zinc/81/56/71/366815671.db2.gz NQRLOUYNWPUXGP-ZIAGYGMSSA-N 2 2 283.416 0.603 20 0 CCADLP [NH3+][C@@H](C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1cscn1 ZINC000564445586 291279818 /nfs/dbraw/zinc/27/98/18/291279818.db2.gz BZYKFRPWHBDHCM-GZMMTYOYSA-N 2 2 266.370 0.496 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)C[NH+]2CC(C)(C)C2)CCO1 ZINC000564466584 291281741 /nfs/dbraw/zinc/28/17/41/291281741.db2.gz QYFXSQHCZSSRSA-LBPRGKRZSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)C[NH+]2CC(C)(C)C2)CCO1 ZINC000564466584 291281743 /nfs/dbraw/zinc/28/17/43/291281743.db2.gz QYFXSQHCZSSRSA-LBPRGKRZSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000599311601 361648591 /nfs/dbraw/zinc/64/85/91/361648591.db2.gz XKYZJQJXXXGPGT-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000599311601 361648594 /nfs/dbraw/zinc/64/85/94/361648594.db2.gz XKYZJQJXXXGPGT-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000599339831 361661076 /nfs/dbraw/zinc/66/10/76/361661076.db2.gz NHFRCBOMUVLKDU-RYUDHWBXSA-N 2 2 281.356 0.524 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000599339831 361661080 /nfs/dbraw/zinc/66/10/80/361661080.db2.gz NHFRCBOMUVLKDU-RYUDHWBXSA-N 2 2 281.356 0.524 20 0 CCADLP COC(=O)c1cnc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cn1 ZINC000599425836 361694632 /nfs/dbraw/zinc/69/46/32/361694632.db2.gz PSKQMIDRUPKOLQ-HNNXBMFYSA-N 2 2 290.367 0.791 20 0 CCADLP COC(=O)c1cnc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cn1 ZINC000599425836 361694634 /nfs/dbraw/zinc/69/46/34/361694634.db2.gz PSKQMIDRUPKOLQ-HNNXBMFYSA-N 2 2 290.367 0.791 20 0 CCADLP COC(=O)c1cnc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cn1 ZINC000599425836 361694637 /nfs/dbraw/zinc/69/46/37/361694637.db2.gz PSKQMIDRUPKOLQ-HNNXBMFYSA-N 2 2 290.367 0.791 20 0 CCADLP COC(=O)c1cnc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cn1 ZINC000599425836 361694639 /nfs/dbraw/zinc/69/46/39/361694639.db2.gz PSKQMIDRUPKOLQ-HNNXBMFYSA-N 2 2 290.367 0.791 20 0 CCADLP C[N@@H+]1CCc2nc(NC(=O)C[NH2+]C3CC3)sc2C1 ZINC000564725522 291296073 /nfs/dbraw/zinc/29/60/73/291296073.db2.gz WHUXIJYURIZNGT-UHFFFAOYSA-N 2 2 266.370 0.822 20 0 CCADLP C[N@H+]1CCc2nc(NC(=O)C[NH2+]C3CC3)sc2C1 ZINC000564725522 291296074 /nfs/dbraw/zinc/29/60/74/291296074.db2.gz WHUXIJYURIZNGT-UHFFFAOYSA-N 2 2 266.370 0.822 20 0 CCADLP C[C@@H](NC(=O)N[C@H]1CC12CC[NH2+]CC2)c1[nH+]ccn1C ZINC000612994289 364079233 /nfs/dbraw/zinc/07/92/33/364079233.db2.gz PTXVANVNQHFANP-MNOVXSKESA-N 2 2 277.372 0.922 20 0 CCADLP C[C@]1(NC(=O)NCCCNc2cccc[nH+]2)CC[NH2+]C1 ZINC000612869478 364027094 /nfs/dbraw/zinc/02/70/94/364027094.db2.gz NGVMPSOMOOVNNE-AWEZNQCLSA-N 2 2 277.372 0.935 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000613170021 364139943 /nfs/dbraw/zinc/13/99/43/364139943.db2.gz ZGZMLUJSSNPRKZ-GFCCVEGCSA-N 2 2 276.384 0.998 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000613170021 364139948 /nfs/dbraw/zinc/13/99/48/364139948.db2.gz ZGZMLUJSSNPRKZ-GFCCVEGCSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCc1nnnn1-c1ccccc1 ZINC000631860373 370720748 /nfs/dbraw/zinc/72/07/48/370720748.db2.gz XPPDJZVXYXUEIY-NEPJUHHUSA-N 2 2 272.356 0.626 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCc1nnnn1-c1ccccc1 ZINC000631860373 370720753 /nfs/dbraw/zinc/72/07/53/370720753.db2.gz XPPDJZVXYXUEIY-NEPJUHHUSA-N 2 2 272.356 0.626 20 0 CCADLP CCC(CC)NC(=O)[C@H](C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631863632 370723266 /nfs/dbraw/zinc/72/32/66/370723266.db2.gz CEFQKPNVRDDHAL-LBPRGKRZSA-N 2 2 285.432 0.726 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000631868059 370727070 /nfs/dbraw/zinc/72/70/70/370727070.db2.gz VELJAUMLGOPRQQ-CJNGLKHVSA-N 3 2 294.443 0.319 20 0 CCADLP CC(C)S(=O)(=O)CCC[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631867531 370727402 /nfs/dbraw/zinc/72/74/02/370727402.db2.gz CYRMCRDXKFNSCB-OLZOCXBDSA-N 2 2 274.430 0.931 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)C[C@@H](C)O1 ZINC000631885781 370736191 /nfs/dbraw/zinc/73/61/91/370736191.db2.gz DWBLITUNAICRFB-KBUPBQIOSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)C[C@@H](C)O1 ZINC000631885781 370736193 /nfs/dbraw/zinc/73/61/93/370736193.db2.gz DWBLITUNAICRFB-KBUPBQIOSA-N 2 2 295.427 0.696 20 0 CCADLP O=C(CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)N1CCOCC1 ZINC000631885624 370736897 /nfs/dbraw/zinc/73/68/97/370736897.db2.gz ACDLDDZMNMIJIT-KBPBESRZSA-N 2 2 281.400 0.309 20 0 CCADLP O=C(CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)N1CCOCC1 ZINC000631885624 370736901 /nfs/dbraw/zinc/73/69/01/370736901.db2.gz ACDLDDZMNMIJIT-KBPBESRZSA-N 2 2 281.400 0.309 20 0 CCADLP CN(C)c1cccc(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)n1 ZINC000564848684 291306908 /nfs/dbraw/zinc/30/69/08/291306908.db2.gz FJUDKFACOJWJDQ-CQSZACIVSA-N 2 2 278.400 0.692 20 0 CCADLP CN(C)c1cccc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)n1 ZINC000564848684 291306909 /nfs/dbraw/zinc/30/69/09/291306909.db2.gz FJUDKFACOJWJDQ-CQSZACIVSA-N 2 2 278.400 0.692 20 0 CCADLP CCn1nccc1CC[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000621775309 366863555 /nfs/dbraw/zinc/86/35/55/366863555.db2.gz LKKAJJGCZRKFTC-YPMHNXCESA-N 2 2 252.362 0.494 20 0 CCADLP CCn1nccc1CC[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000621775309 366863558 /nfs/dbraw/zinc/86/35/58/366863558.db2.gz LKKAJJGCZRKFTC-YPMHNXCESA-N 2 2 252.362 0.494 20 0 CCADLP C[C@@H](C(=O)NCc1nc(C[NH+]2CCCCC2)no1)[NH+](C)C ZINC000614466598 364618721 /nfs/dbraw/zinc/61/87/21/364618721.db2.gz XMJSIWDHJZALNV-NSHDSACASA-N 2 2 295.387 0.622 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000335639853 212356837 /nfs/dbraw/zinc/35/68/37/212356837.db2.gz MJUYZYKSHISTJF-UHFFFAOYSA-N 2 2 265.361 0.796 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000335647620 212363606 /nfs/dbraw/zinc/36/36/06/212363606.db2.gz OVBQTVOKFDIZME-LLVKDONJSA-N 2 2 265.361 0.665 20 0 CCADLP C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)Cn1cc[nH+]c1 ZINC000615262596 364897289 /nfs/dbraw/zinc/89/72/89/364897289.db2.gz GRHHJVXATBPKMT-QWHCGFSZSA-N 2 2 278.356 0.205 20 0 CCADLP C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)Cn1cc[nH+]c1 ZINC000615262596 364897295 /nfs/dbraw/zinc/89/72/95/364897295.db2.gz GRHHJVXATBPKMT-QWHCGFSZSA-N 2 2 278.356 0.205 20 0 CCADLP C[NH+]1CCN(CC2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC000615274991 364904295 /nfs/dbraw/zinc/90/42/95/364904295.db2.gz UNQLMHUSOCEZHF-HNNXBMFYSA-N 2 2 294.443 0.177 20 0 CCADLP C[NH+]1CCN(CC2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)CC1 ZINC000615274991 364904297 /nfs/dbraw/zinc/90/42/97/364904297.db2.gz UNQLMHUSOCEZHF-HNNXBMFYSA-N 2 2 294.443 0.177 20 0 CCADLP O=C(NCc1cccc(-c2[nH]cc[nH+]2)c1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000564991960 291333095 /nfs/dbraw/zinc/33/30/95/291333095.db2.gz FGTJXWVDOFLDEK-QWHCGFSZSA-N 2 2 286.335 0.416 20 0 CCADLP C[NH+](C)C1(C(=O)N2CCC[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000615559342 365006237 /nfs/dbraw/zinc/00/62/37/365006237.db2.gz XVASDOUQNAWNGM-ZDUSSCGKSA-N 2 2 281.400 0.404 20 0 CCADLP CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000565046761 291339880 /nfs/dbraw/zinc/33/98/80/291339880.db2.gz HXDOLQYGNYJWEF-AWEZNQCLSA-N 2 2 279.388 0.049 20 0 CCADLP CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000565046761 291339882 /nfs/dbraw/zinc/33/98/82/291339882.db2.gz HXDOLQYGNYJWEF-AWEZNQCLSA-N 2 2 279.388 0.049 20 0 CCADLP C[C@H](CC(=O)NC[C@@](C)(O)C[NH+](C)C)n1cc[nH+]c1 ZINC000565076700 291343311 /nfs/dbraw/zinc/34/33/11/291343311.db2.gz LTVXDWBJNXWKLR-DGCLKSJQSA-N 2 2 268.361 0.263 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000616307762 365257956 /nfs/dbraw/zinc/25/79/56/365257956.db2.gz XQKHSBFNTPTYGG-NWDGAFQWSA-N 2 2 262.357 0.656 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000616307762 365257959 /nfs/dbraw/zinc/25/79/59/365257959.db2.gz XQKHSBFNTPTYGG-NWDGAFQWSA-N 2 2 262.357 0.656 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](OCc2ccncc2)C1 ZINC000565165180 291350901 /nfs/dbraw/zinc/35/09/01/291350901.db2.gz QVOFXCZXRIELTB-JKSUJKDBSA-N 2 2 293.411 0.985 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](OCc2ccncc2)C1 ZINC000565165180 291350902 /nfs/dbraw/zinc/35/09/02/291350902.db2.gz QVOFXCZXRIELTB-JKSUJKDBSA-N 2 2 293.411 0.985 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000565165180 291350903 /nfs/dbraw/zinc/35/09/03/291350903.db2.gz QVOFXCZXRIELTB-JKSUJKDBSA-N 2 2 293.411 0.985 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000565165180 291350904 /nfs/dbraw/zinc/35/09/04/291350904.db2.gz QVOFXCZXRIELTB-JKSUJKDBSA-N 2 2 293.411 0.985 20 0 CCADLP C[NH2+][C@@H](C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000565218326 291362512 /nfs/dbraw/zinc/36/25/12/291362512.db2.gz XLGVUOYJCLZCNJ-JTQLQIEISA-N 2 2 250.346 0.486 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N[C@H]1CC[NH2+]C1 ZINC000565249824 291366752 /nfs/dbraw/zinc/36/67/52/291366752.db2.gz JMTCXSZMQKNBRB-UWVGGRQHSA-N 2 2 251.334 0.625 20 0 CCADLP COCCNC(=O)C1([NH2+]Cc2c[nH+]c(C)n2C)CC1 ZINC000565243607 291365819 /nfs/dbraw/zinc/36/58/19/291365819.db2.gz ZOHRJFPMPBGOGU-UHFFFAOYSA-N 2 2 266.345 0.113 20 0 CCADLP COc1c(C)[nH+]cnc1NC[C@](C)(O)C[NH+](C)C ZINC000656149765 412750987 /nfs/dbraw/zinc/75/09/87/412750987.db2.gz NRCHELILESYUBD-LBPRGKRZSA-N 2 2 254.334 0.518 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566242499 291382681 /nfs/dbraw/zinc/38/26/81/291382681.db2.gz UFRUKIDMBZIUKY-HNNXBMFYSA-N 2 2 296.415 0.544 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566242499 291382682 /nfs/dbraw/zinc/38/26/82/291382682.db2.gz UFRUKIDMBZIUKY-HNNXBMFYSA-N 2 2 296.415 0.544 20 0 CCADLP C[NH2+]CCCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623179170 367467263 /nfs/dbraw/zinc/46/72/63/367467263.db2.gz AFMWVKWWSPRJHF-NSHDSACASA-N 2 2 250.346 0.513 20 0 CCADLP C[N@H+](CC(=O)N[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CCSC1 ZINC000623306646 367528574 /nfs/dbraw/zinc/52/85/74/367528574.db2.gz RJQCVNFUPJEYDA-VXGBXAGGSA-N 2 2 294.424 0.751 20 0 CCADLP C[N@@H+](CC(=O)N[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CCSC1 ZINC000623306646 367528579 /nfs/dbraw/zinc/52/85/79/367528579.db2.gz RJQCVNFUPJEYDA-VXGBXAGGSA-N 2 2 294.424 0.751 20 0 CCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCn3c[nH+]cc3C2)CC[N@@H+]1C ZINC000623298250 367522243 /nfs/dbraw/zinc/52/22/43/367522243.db2.gz YTKAWLPGXGPNIE-NTZNESFSSA-N 2 2 262.357 0.654 20 0 CCADLP C[C@@H]1[C@H](C(=O)N[C@H]2CCn3c[nH+]cc3C2)CC[N@H+]1C ZINC000623298250 367522246 /nfs/dbraw/zinc/52/22/46/367522246.db2.gz YTKAWLPGXGPNIE-NTZNESFSSA-N 2 2 262.357 0.654 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000623300686 367523833 /nfs/dbraw/zinc/52/38/33/367523833.db2.gz XVYIMBRWDKSEIY-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000623300686 367523839 /nfs/dbraw/zinc/52/38/39/367523839.db2.gz XVYIMBRWDKSEIY-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000566296476 291391159 /nfs/dbraw/zinc/39/11/59/291391159.db2.gz VPQDWVPEWFXWCV-GXTWGEPZSA-N 3 2 282.432 0.127 20 0 CCADLP Cn1nccc1[C@@H](CO)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623547689 367590905 /nfs/dbraw/zinc/59/09/05/367590905.db2.gz YDEFTHINXGVIDW-VXGBXAGGSA-N 2 2 266.389 0.916 20 0 CCADLP Cn1nccc1[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623547689 367590907 /nfs/dbraw/zinc/59/09/07/367590907.db2.gz YDEFTHINXGVIDW-VXGBXAGGSA-N 2 2 266.389 0.916 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2COCCN2C)C[N@@H+]1C1CC1 ZINC000623711606 367626896 /nfs/dbraw/zinc/62/68/96/367626896.db2.gz KCPSARWFOJJVHE-MBNYWOFBSA-N 2 2 253.390 0.532 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2COCCN2C)C[N@H+]1C1CC1 ZINC000623711606 367626900 /nfs/dbraw/zinc/62/69/00/367626900.db2.gz KCPSARWFOJJVHE-MBNYWOFBSA-N 2 2 253.390 0.532 20 0 CCADLP C[NH2+]C[C@](C)(O)CN1CC[NH+](Cc2cc(C)no2)CC1 ZINC000566351355 291396555 /nfs/dbraw/zinc/39/65/55/291396555.db2.gz VSOHUFQEGDSCAA-AWEZNQCLSA-N 2 2 282.388 0.071 20 0 CCADLP CC(C)[NH+]1CCC(N(C)c2nc(N)nc(N)[nH+]2)CC1 ZINC000623833736 367673599 /nfs/dbraw/zinc/67/35/99/367673599.db2.gz WPSUIMFKYICSJP-UHFFFAOYSA-N 2 2 265.365 0.006 20 0 CCADLP O[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000623838135 367674886 /nfs/dbraw/zinc/67/48/86/367674886.db2.gz IKHHEOSTGBXKCO-OLZOCXBDSA-N 2 2 254.374 0.744 20 0 CCADLP O[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000623838135 367674895 /nfs/dbraw/zinc/67/48/95/367674895.db2.gz IKHHEOSTGBXKCO-OLZOCXBDSA-N 2 2 254.374 0.744 20 0 CCADLP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCS(=O)(=O)C2)C1 ZINC000624122620 367759589 /nfs/dbraw/zinc/75/95/89/367759589.db2.gz WZPXJUUXCKHMMR-CHWSQXEVSA-N 2 2 274.430 0.885 20 0 CCADLP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCS(=O)(=O)C2)C1 ZINC000624122620 367759591 /nfs/dbraw/zinc/75/95/91/367759591.db2.gz WZPXJUUXCKHMMR-CHWSQXEVSA-N 2 2 274.430 0.885 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC[C@@H](C)[NH+](C)C)CC2 ZINC000623975420 367713453 /nfs/dbraw/zinc/71/34/53/367713453.db2.gz FBYLGTAPJPIXNU-NEPJUHHUSA-N 2 2 264.373 0.820 20 0 CCADLP NC(=O)C[C@@H]1C[N@@H+](C2CC[NH+](CC3CC3)CC2)CCO1 ZINC000624252246 367808657 /nfs/dbraw/zinc/80/86/57/367808657.db2.gz CSYSHDWKWNOYOZ-CQSZACIVSA-N 2 2 281.400 0.437 20 0 CCADLP NC(=O)C[C@@H]1C[N@H+](C2CC[NH+](CC3CC3)CC2)CCO1 ZINC000624252246 367808661 /nfs/dbraw/zinc/80/86/61/367808661.db2.gz CSYSHDWKWNOYOZ-CQSZACIVSA-N 2 2 281.400 0.437 20 0 CCADLP Cc1cc(NCC[N@@H+]2CC[C@H](O)C2)nc(-c2ccncc2)[nH+]1 ZINC000624773974 367988834 /nfs/dbraw/zinc/98/88/34/367988834.db2.gz LNTNFAAQTHQPSB-AWEZNQCLSA-N 2 2 299.378 0.747 20 0 CCADLP Cc1cc(NCC[N@H+]2CC[C@H](O)C2)nc(-c2ccncc2)[nH+]1 ZINC000624773974 367988841 /nfs/dbraw/zinc/98/88/41/367988841.db2.gz LNTNFAAQTHQPSB-AWEZNQCLSA-N 2 2 299.378 0.747 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000037621826 284004656 /nfs/dbraw/zinc/00/46/56/284004656.db2.gz IIKIEBFRBZWQHC-AAEUAGOBSA-N 2 2 257.378 0.341 20 0 CCADLP O[C@@H]1CC[N@H+](CCNc2nc3ccccc3n3c[nH+]cc23)C1 ZINC000624677781 367950407 /nfs/dbraw/zinc/95/04/07/367950407.db2.gz DUGRBUMXEXKKIO-GFCCVEGCSA-N 2 2 297.362 0.783 20 0 CCADLP O[C@@H]1CC[N@@H+](CCNc2nc3ccccc3n3c[nH+]cc23)C1 ZINC000624677781 367950411 /nfs/dbraw/zinc/95/04/11/367950411.db2.gz DUGRBUMXEXKKIO-GFCCVEGCSA-N 2 2 297.362 0.783 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656200114 412763920 /nfs/dbraw/zinc/76/39/20/412763920.db2.gz JVJTZPNJDOJTPH-DGXTUMSLSA-N 2 2 299.459 0.841 20 0 CCADLP O=C1CC[C@@H](C[NH+]2CCC([NH+]3CCOCC3)CC2)N1 ZINC000625544684 368237754 /nfs/dbraw/zinc/23/77/54/368237754.db2.gz WNYRPSWZSFVBJI-LBPRGKRZSA-N 2 2 267.373 0.062 20 0 CCADLP COCCC1CC[NH+](C[C@H](O)C[N@H+](C)CCOC)CC1 ZINC000625630923 368279117 /nfs/dbraw/zinc/27/91/17/368279117.db2.gz XLWUIUZOUHPFKF-OAHLLOKOSA-N 2 2 288.432 0.674 20 0 CCADLP COCCC1CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)CC1 ZINC000625630923 368279120 /nfs/dbraw/zinc/27/91/20/368279120.db2.gz XLWUIUZOUHPFKF-OAHLLOKOSA-N 2 2 288.432 0.674 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)NCC1([NH3+])CCOCC1 ZINC000625874181 368354657 /nfs/dbraw/zinc/35/46/57/368354657.db2.gz WWCSNYGTRLYZJS-UHFFFAOYSA-N 2 2 264.329 0.441 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000335490379 212166946 /nfs/dbraw/zinc/16/69/46/212166946.db2.gz DFDVJDIOKBWQDG-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000335490379 212166949 /nfs/dbraw/zinc/16/69/49/212166949.db2.gz DFDVJDIOKBWQDG-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP CCC1([NH+]2CCOCC2)CC[NH+](CCn2cncn2)CC1 ZINC000626087866 368435942 /nfs/dbraw/zinc/43/59/42/368435942.db2.gz FEXSLFDXXVHLIE-UHFFFAOYSA-N 2 2 293.415 0.855 20 0 CCADLP CC[NH+](CC)CCCNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000566622362 291427507 /nfs/dbraw/zinc/42/75/07/291427507.db2.gz UAZCQKUHASOENT-NSHDSACASA-N 2 2 270.402 0.991 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NCCOCC[NH+](C)C)CC2 ZINC000626374704 368529949 /nfs/dbraw/zinc/52/99/49/368529949.db2.gz HBDDWYGUUGTXCG-CYBMUJFWSA-N 2 2 294.399 0.448 20 0 CCADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)[C@]12C[C@H]1CC[NH2+]2 ZINC000566739422 291434891 /nfs/dbraw/zinc/43/48/91/291434891.db2.gz CWZRTWYPOVOIQZ-KCJUWKMLSA-N 2 2 288.273 0.814 20 0 CCADLP Cc1cc(N(C)S(=O)(=O)C[C@H]2C[N@H+](C)CCO2)cc[nH+]1 ZINC000632219598 370928877 /nfs/dbraw/zinc/92/88/77/370928877.db2.gz QSBQNAFUSOBQJQ-CYBMUJFWSA-N 2 2 299.396 0.487 20 0 CCADLP Cc1cc(N(C)S(=O)(=O)C[C@H]2C[N@@H+](C)CCO2)cc[nH+]1 ZINC000632219598 370928880 /nfs/dbraw/zinc/92/88/80/370928880.db2.gz QSBQNAFUSOBQJQ-CYBMUJFWSA-N 2 2 299.396 0.487 20 0 CCADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632174167 370905423 /nfs/dbraw/zinc/90/54/23/370905423.db2.gz SSDZKAJNUORDLT-NWDGAFQWSA-N 2 2 289.445 0.435 20 0 CCADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632174167 370905426 /nfs/dbraw/zinc/90/54/26/370905426.db2.gz SSDZKAJNUORDLT-NWDGAFQWSA-N 2 2 289.445 0.435 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000627020645 368742359 /nfs/dbraw/zinc/74/23/59/368742359.db2.gz KDJZYZRGDXPUNR-QWHCGFSZSA-N 2 2 296.415 0.291 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000627005334 368730053 /nfs/dbraw/zinc/73/00/53/368730053.db2.gz XFITXUBTNQRVBM-YNEHKIRRSA-N 2 2 289.383 0.710 20 0 CCADLP CN(CC[N@H+](C)C1CC1)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632226996 370931621 /nfs/dbraw/zinc/93/16/21/370931621.db2.gz LZBMJYQWFLYLHT-UHFFFAOYSA-N 2 2 289.445 0.436 20 0 CCADLP CN(CC[N@@H+](C)C1CC1)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632226996 370931625 /nfs/dbraw/zinc/93/16/25/370931625.db2.gz LZBMJYQWFLYLHT-UHFFFAOYSA-N 2 2 289.445 0.436 20 0 CCADLP C[NH+](C)C1(CS(=O)(=O)N2CC[NH+]3CCC2CC3)CC1 ZINC000632263858 370948673 /nfs/dbraw/zinc/94/86/73/370948673.db2.gz ILCVUJBSTLHZNA-UHFFFAOYSA-N 2 2 287.429 0.190 20 0 CCADLP CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000330617403 203045209 /nfs/dbraw/zinc/04/52/09/203045209.db2.gz XBEHZAUAWCHPBC-NWDGAFQWSA-N 2 2 286.401 0.333 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627201930 368870695 /nfs/dbraw/zinc/87/06/95/368870695.db2.gz DRDUCIZSMHWRTA-HZSPNIEDSA-N 2 2 298.431 0.489 20 0 CCADLP C[NH2+]CCOCCNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000627178805 368850863 /nfs/dbraw/zinc/85/08/63/368850863.db2.gz YIWHTFXMLDZTFX-UHFFFAOYSA-N 2 2 295.387 0.466 20 0 CCADLP O=C(NCc1ccc[nH+]c1N1CCCC1)N[C@@H]1CC[NH2+]C1 ZINC000627253090 368919226 /nfs/dbraw/zinc/91/92/26/368919226.db2.gz POKQKZNFVILQOK-CYBMUJFWSA-N 2 2 289.383 0.843 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCCF)CC1 ZINC000627958026 369146774 /nfs/dbraw/zinc/14/67/74/369146774.db2.gz BXBWYHDCMRGAOG-ZDUSSCGKSA-N 2 2 271.380 0.975 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCCF)CC1 ZINC000627958026 369146780 /nfs/dbraw/zinc/14/67/80/369146780.db2.gz BXBWYHDCMRGAOG-ZDUSSCGKSA-N 2 2 271.380 0.975 20 0 CCADLP CC1(C)C[NH+](CC(=O)N2CC[NH+](CCCF)CC2)C1 ZINC000627962184 369149513 /nfs/dbraw/zinc/14/95/13/369149513.db2.gz DQWDDSZPFDGCAX-UHFFFAOYSA-N 2 2 271.380 0.832 20 0 CCADLP CN(C(=O)NCc1c[nH+]cn1C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000574334055 335011371 /nfs/dbraw/zinc/01/13/71/335011371.db2.gz GLPGBUSASIDCRT-GFCCVEGCSA-N 2 2 277.372 0.798 20 0 CCADLP Cc1c[nH]c(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)[nH+]1 ZINC000628162755 369196182 /nfs/dbraw/zinc/19/61/82/369196182.db2.gz CKJANWYPVQDWGM-QWHCGFSZSA-N 2 2 264.373 0.749 20 0 CCADLP Cc1c[nH]c(CN2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)[nH+]1 ZINC000628243944 369223721 /nfs/dbraw/zinc/22/37/21/369223721.db2.gz NBCPUWKLSDTYFB-LBPRGKRZSA-N 2 2 266.389 0.995 20 0 CCADLP Cc1c[nH]c(CN2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)[nH+]1 ZINC000628243944 369223724 /nfs/dbraw/zinc/22/37/24/369223724.db2.gz NBCPUWKLSDTYFB-LBPRGKRZSA-N 2 2 266.389 0.995 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000628648232 369359005 /nfs/dbraw/zinc/35/90/05/369359005.db2.gz JIRAULROHOGGSU-CYBMUJFWSA-N 2 2 276.384 0.972 20 0 CCADLP C[N@H+]1CCC[C@@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000628648232 369359008 /nfs/dbraw/zinc/35/90/08/369359008.db2.gz JIRAULROHOGGSU-CYBMUJFWSA-N 2 2 276.384 0.972 20 0 CCADLP CC(C)[C@@H](C(=O)NC[C@H]1COCC[N@@H+]1C)[NH+](C)C ZINC000628920318 369463388 /nfs/dbraw/zinc/46/33/88/369463388.db2.gz UYDMXZVQSMXNQT-RYUDHWBXSA-N 2 2 257.378 0.019 20 0 CCADLP CC(C)[C@@H](C(=O)NC[C@H]1COCC[N@H+]1C)[NH+](C)C ZINC000628920318 369463389 /nfs/dbraw/zinc/46/33/89/369463389.db2.gz UYDMXZVQSMXNQT-RYUDHWBXSA-N 2 2 257.378 0.019 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)n1C ZINC000567292500 291473650 /nfs/dbraw/zinc/47/36/50/291473650.db2.gz RVUDNNSQPZSUTG-GXTWGEPZSA-N 2 2 262.357 0.875 20 0 CCADLP C[NH+](C)C1(CS(=O)(=O)NCC[N@H+]2CC=CCC2)CC1 ZINC000632294564 370968803 /nfs/dbraw/zinc/96/88/03/370968803.db2.gz MQDQFZCFOPQGCW-UHFFFAOYSA-N 2 2 287.429 0.262 20 0 CCADLP C[NH+](C)C1(CS(=O)(=O)NCC[N@@H+]2CC=CCC2)CC1 ZINC000632294564 370968806 /nfs/dbraw/zinc/96/88/06/370968806.db2.gz MQDQFZCFOPQGCW-UHFFFAOYSA-N 2 2 287.429 0.262 20 0 CCADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1cscn1 ZINC000276306164 193281226 /nfs/dbraw/zinc/28/12/26/193281226.db2.gz LDWINMXRRJYBDW-UHFFFAOYSA-N 2 2 282.413 0.739 20 0 CCADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1cscn1 ZINC000276306164 193281229 /nfs/dbraw/zinc/28/12/29/193281229.db2.gz LDWINMXRRJYBDW-UHFFFAOYSA-N 2 2 282.413 0.739 20 0 CCADLP O[C@H](C[NH2+][C@H]1CCc2cn[nH]c2C1)C[NH+]1CCCC1 ZINC000629568301 369713497 /nfs/dbraw/zinc/71/34/97/369713497.db2.gz SUDCDDYXFVDQMN-QWHCGFSZSA-N 2 2 264.373 0.313 20 0 CCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629568138 369713820 /nfs/dbraw/zinc/71/38/20/369713820.db2.gz RPMQOACFLXYVHN-VHSXEESVSA-N 2 2 281.322 0.970 20 0 CCADLP CC(C)NC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629568138 369713824 /nfs/dbraw/zinc/71/38/24/369713824.db2.gz RPMQOACFLXYVHN-VHSXEESVSA-N 2 2 281.322 0.970 20 0 CCADLP CN(C)c1cccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)n1 ZINC000629570961 369716535 /nfs/dbraw/zinc/71/65/35/369716535.db2.gz FCJIJVPPDDVIJR-CQSZACIVSA-N 2 2 278.400 0.694 20 0 CCADLP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000629512220 369687672 /nfs/dbraw/zinc/68/76/72/369687672.db2.gz CAAJBATWAMWKMK-MCIONIFRSA-N 3 2 282.432 0.304 20 0 CCADLP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000629512220 369687676 /nfs/dbraw/zinc/68/76/76/369687676.db2.gz CAAJBATWAMWKMK-MCIONIFRSA-N 3 2 282.432 0.304 20 0 CCADLP C[C@@H](CCCC[NH3+])[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000629516093 369689751 /nfs/dbraw/zinc/68/97/51/369689751.db2.gz XEQQOWYZALPRAI-STQMWFEESA-N 3 2 270.421 0.433 20 0 CCADLP C[C@@H](CCCC[NH3+])[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000629516093 369689753 /nfs/dbraw/zinc/68/97/53/369689753.db2.gz XEQQOWYZALPRAI-STQMWFEESA-N 3 2 270.421 0.433 20 0 CCADLP Cc1noc([C@H]2OCC[C@H]2[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)n1 ZINC000629544533 369699374 /nfs/dbraw/zinc/69/93/74/369699374.db2.gz AJWSNBIOHMHFGE-GMNPVEAJSA-N 2 2 266.345 0.938 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)NCCCC[NH+]1CCOCC1 ZINC000276553232 193377589 /nfs/dbraw/zinc/37/75/89/193377589.db2.gz IAURLNOHTYWVEJ-ONEGZZNKSA-N 2 2 278.356 0.652 20 0 CCADLP C[N@H+](CCOCC[NH3+])Cc1ncnn1-c1ccccc1 ZINC000629581162 369724835 /nfs/dbraw/zinc/72/48/35/369724835.db2.gz PNCPVANLMSRLGB-UHFFFAOYSA-N 2 2 275.356 0.674 20 0 CCADLP C[N@@H+](CCOCC[NH3+])Cc1ncnn1-c1ccccc1 ZINC000629581162 369724837 /nfs/dbraw/zinc/72/48/37/369724837.db2.gz PNCPVANLMSRLGB-UHFFFAOYSA-N 2 2 275.356 0.674 20 0 CCADLP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)CN1CC[NH+](C)CC1 ZINC000629964863 369859496 /nfs/dbraw/zinc/85/94/96/369859496.db2.gz KVCBIACPNVFVKV-CQSZACIVSA-N 2 2 296.459 0.470 20 0 CCADLP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)CN1CC[NH+](C)CC1 ZINC000629964863 369859501 /nfs/dbraw/zinc/85/95/01/369859501.db2.gz KVCBIACPNVFVKV-CQSZACIVSA-N 2 2 296.459 0.470 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[NH+](C)C1CCC1 ZINC000630018337 369898999 /nfs/dbraw/zinc/89/89/99/369898999.db2.gz CQBLQJFAUJYZOE-UHFFFAOYSA-N 3 2 284.448 0.470 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[NH+](C)C1CCC1 ZINC000630018337 369899006 /nfs/dbraw/zinc/89/90/06/369899006.db2.gz CQBLQJFAUJYZOE-UHFFFAOYSA-N 3 2 284.448 0.470 20 0 CCADLP C[NH+](C)CCC[NH+](C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC000630018337 369899011 /nfs/dbraw/zinc/89/90/11/369899011.db2.gz CQBLQJFAUJYZOE-UHFFFAOYSA-N 3 2 284.448 0.470 20 0 CCADLP C[NH+](C)CCC[NH+](C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC000630018337 369899017 /nfs/dbraw/zinc/89/90/17/369899017.db2.gz CQBLQJFAUJYZOE-UHFFFAOYSA-N 3 2 284.448 0.470 20 0 CCADLP c1nc(NC[C@@H]2COCC[NH2+]2)cc(N2CCSCC2)[nH+]1 ZINC000630533993 370154058 /nfs/dbraw/zinc/15/40/58/370154058.db2.gz YDORUAGUYXENOO-LLVKDONJSA-N 2 2 295.412 0.430 20 0 CCADLP C[C@@H](O)[C@@H]1CCN(c2cc(N[C@@H]3CC[NH2+][C@H]3C)nc[nH+]2)C1 ZINC000630546570 370162089 /nfs/dbraw/zinc/16/20/89/370162089.db2.gz XHTUXJLAVUHKRT-UMSGYPCISA-N 2 2 291.399 0.846 20 0 CCADLP C[NH+](C)CCn1cc(C(=O)NCCn2cc[nH+]c2)cn1 ZINC000630735241 370251766 /nfs/dbraw/zinc/25/17/66/370251766.db2.gz QYCQAUZUHXKBBF-UHFFFAOYSA-N 2 2 276.344 0.071 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCOC[C@H]2C)CC[N@@H+]1C ZINC000630926820 370323449 /nfs/dbraw/zinc/32/34/49/370323449.db2.gz BLUCMOSFOCWMJE-HZSPNIEDSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCOC[C@H]2C)CC[N@H+]1C ZINC000630926820 370323452 /nfs/dbraw/zinc/32/34/52/370323452.db2.gz BLUCMOSFOCWMJE-HZSPNIEDSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC[NH+]1C ZINC000630926820 370323456 /nfs/dbraw/zinc/32/34/56/370323456.db2.gz BLUCMOSFOCWMJE-HZSPNIEDSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[N@H+]2CCOC[C@H]2C)CC[NH+]1C ZINC000630926820 370323459 /nfs/dbraw/zinc/32/34/59/370323459.db2.gz BLUCMOSFOCWMJE-HZSPNIEDSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCCCn1cc[nH+]c1 ZINC000631000919 370356467 /nfs/dbraw/zinc/35/64/67/370356467.db2.gz JLFJPWXLWROMRO-QWRGUYRKSA-N 2 2 251.334 0.404 20 0 CCADLP Cc1nc(NC[C@@H](C(C)C)[NH+]2CCCC2)nc(N)[nH+]1 ZINC000631050524 370368005 /nfs/dbraw/zinc/36/80/05/370368005.db2.gz HLNBZFSWGRYKQV-NSHDSACASA-N 2 2 264.377 0.547 20 0 CCADLP Cc1nc(NCCc2cn3c([nH+]2)CCCC3)nc(N)[nH+]1 ZINC000631053997 370369669 /nfs/dbraw/zinc/36/96/69/370369669.db2.gz OANWVZZWKXDZNM-UHFFFAOYSA-N 2 2 273.344 0.202 20 0 CCADLP CCC[N@@H+]1CC[C@H](CNc2nc(C)[nH+]c(N)n2)C1 ZINC000631070751 370376698 /nfs/dbraw/zinc/37/66/98/370376698.db2.gz FMHIQZZPSKYQGD-SNVBAGLBSA-N 2 2 250.350 0.158 20 0 CCADLP CCC[N@H+]1CC[C@H](CNc2nc(C)[nH+]c(N)n2)C1 ZINC000631070751 370376702 /nfs/dbraw/zinc/37/67/02/370376702.db2.gz FMHIQZZPSKYQGD-SNVBAGLBSA-N 2 2 250.350 0.158 20 0 CCADLP CCC[N@@H+]1CC[C@H](CNc2nc(N)nc(C)[nH+]2)C1 ZINC000631070751 370376708 /nfs/dbraw/zinc/37/67/08/370376708.db2.gz FMHIQZZPSKYQGD-SNVBAGLBSA-N 2 2 250.350 0.158 20 0 CCADLP CCC[N@H+]1CC[C@H](CNc2nc(N)nc(C)[nH+]2)C1 ZINC000631070751 370376713 /nfs/dbraw/zinc/37/67/13/370376713.db2.gz FMHIQZZPSKYQGD-SNVBAGLBSA-N 2 2 250.350 0.158 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]Cc2cn(C[C@H]3CCOC3)nn2)CC[N@@H+]1C ZINC000631080860 370377597 /nfs/dbraw/zinc/37/75/97/370377597.db2.gz ZWEAMIQMQMFGHJ-MCIONIFRSA-N 2 2 293.415 0.887 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]Cc2cn(C[C@H]3CCOC3)nn2)CC[N@H+]1C ZINC000631080860 370377604 /nfs/dbraw/zinc/37/76/04/370377604.db2.gz ZWEAMIQMQMFGHJ-MCIONIFRSA-N 2 2 293.415 0.887 20 0 CCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CC[C@@H](O)C(F)F)C1 ZINC000631217537 370426720 /nfs/dbraw/zinc/42/67/20/370426720.db2.gz YJSDTVQJIUVMFR-NXEZZACHSA-N 2 2 252.305 0.313 20 0 CCADLP COCC[N@H+]1CC[C@@H]([NH2+]CC[C@@H](O)C(F)F)C1 ZINC000631217537 370426721 /nfs/dbraw/zinc/42/67/21/370426721.db2.gz YJSDTVQJIUVMFR-NXEZZACHSA-N 2 2 252.305 0.313 20 0 CCADLP Cc1nc(N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)nc(N)[nH+]1 ZINC000631171719 370411253 /nfs/dbraw/zinc/41/12/53/370411253.db2.gz HLYSSCBWDLUGBD-QWRGUYRKSA-N 2 2 262.361 0.513 20 0 CCADLP Cc1nc(N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)nc(N)[nH+]1 ZINC000631171719 370411254 /nfs/dbraw/zinc/41/12/54/370411254.db2.gz HLYSSCBWDLUGBD-QWRGUYRKSA-N 2 2 262.361 0.513 20 0 CCADLP Cc1nc(N)nc(N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)[nH+]1 ZINC000631171719 370411255 /nfs/dbraw/zinc/41/12/55/370411255.db2.gz HLYSSCBWDLUGBD-QWRGUYRKSA-N 2 2 262.361 0.513 20 0 CCADLP Cc1nc(N)nc(N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)[nH+]1 ZINC000631171719 370411256 /nfs/dbraw/zinc/41/12/56/370411256.db2.gz HLYSSCBWDLUGBD-QWRGUYRKSA-N 2 2 262.361 0.513 20 0 CCADLP Cc1nc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)nc(N)[nH+]1 ZINC000631251690 370438152 /nfs/dbraw/zinc/43/81/52/370438152.db2.gz FEJYQRSSIFNMSX-SNVBAGLBSA-N 2 2 292.387 0.282 20 0 CCADLP Cc1nc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)nc(N)[nH+]1 ZINC000631251690 370438155 /nfs/dbraw/zinc/43/81/55/370438155.db2.gz FEJYQRSSIFNMSX-SNVBAGLBSA-N 2 2 292.387 0.282 20 0 CCADLP CCC1([NH+]2CCCC2)CCN(c2nc(N)nc(N)[nH+]2)CC1 ZINC000631450310 370546527 /nfs/dbraw/zinc/54/65/27/370546527.db2.gz UULOSXICOAWCRG-UHFFFAOYSA-N 2 2 291.403 0.542 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000567821569 291519200 /nfs/dbraw/zinc/51/92/00/291519200.db2.gz CSNYEKVDHDKVPY-XUXIUFHCSA-N 2 2 298.431 0.617 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000633084642 371389423 /nfs/dbraw/zinc/38/94/23/371389423.db2.gz JPNYRHRRBRTAJP-JTQLQIEISA-N 2 2 263.345 0.788 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000633084642 371389426 /nfs/dbraw/zinc/38/94/26/371389426.db2.gz JPNYRHRRBRTAJP-JTQLQIEISA-N 2 2 263.345 0.788 20 0 CCADLP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)C1([NH+]2CCOCC2)CC1 ZINC000633202184 371436559 /nfs/dbraw/zinc/43/65/59/371436559.db2.gz SBFSJSOESCZFRF-CHWSQXEVSA-N 2 2 281.400 0.402 20 0 CCADLP C[C@@H]1C[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)[C@@H](C)O1 ZINC000633616067 371631720 /nfs/dbraw/zinc/63/17/20/371631720.db2.gz DGYHHOXIYCHJAU-MCIONIFRSA-N 2 2 285.432 0.800 20 0 CCADLP C[C@@H]1C[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)[C@@H](C)O1 ZINC000633616067 371631723 /nfs/dbraw/zinc/63/17/23/371631723.db2.gz DGYHHOXIYCHJAU-MCIONIFRSA-N 2 2 285.432 0.800 20 0 CCADLP C[NH2+][C@@H](C)Cc1noc([C@@]2(COC)CCCC[NH2+]2)n1 ZINC000634557153 372081292 /nfs/dbraw/zinc/08/12/92/372081292.db2.gz OJEBBLFZDGDUBL-GWCFXTLKSA-N 2 2 268.361 0.835 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000634699625 372145224 /nfs/dbraw/zinc/14/52/24/372145224.db2.gz MUOSDHWQIDXQKI-MRVWCRGKSA-N 2 2 267.373 0.773 20 0 CCADLP CN(C)C(=O)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634698445 372145270 /nfs/dbraw/zinc/14/52/70/372145270.db2.gz LVHGQZJXMIOXKJ-MRXNPFEDSA-N 2 2 291.395 0.301 20 0 CCADLP CN(C)C(=O)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634698445 372145273 /nfs/dbraw/zinc/14/52/73/372145273.db2.gz LVHGQZJXMIOXKJ-MRXNPFEDSA-N 2 2 291.395 0.301 20 0 CCADLP C[NH2+]C1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000634807810 372246964 /nfs/dbraw/zinc/24/69/64/372246964.db2.gz BNHFMAUTCRPEOD-UHFFFAOYSA-N 2 2 258.329 0.851 20 0 CCADLP C[C@H](O)CNc1cc(N[C@H]2CC[NH2+][C@H](C)C2)nc[nH+]1 ZINC000634808516 372249372 /nfs/dbraw/zinc/24/93/72/372249372.db2.gz VRDJXLXVVMMKMC-VWYCJHECSA-N 2 2 265.361 0.822 20 0 CCADLP C[C@H](O)CNc1cc(N[C@H]2CC[NH2+][C@H](C)C2)[nH+]cn1 ZINC000634808516 372249381 /nfs/dbraw/zinc/24/93/81/372249381.db2.gz VRDJXLXVVMMKMC-VWYCJHECSA-N 2 2 265.361 0.822 20 0 CCADLP Nc1[nH+]cnc(N2CC[C@@H]3OCC[NH2+][C@H]3C2)c1Cl ZINC000634809716 372251807 /nfs/dbraw/zinc/25/18/07/372251807.db2.gz YQNDEFCOEXWYEE-YUMQZZPRSA-N 2 2 269.736 0.279 20 0 CCADLP c1cc2c(nc[nH+]c2N2CC[C@H](N3CC[NH2+]CC3)C2)[nH]1 ZINC000634809305 372252316 /nfs/dbraw/zinc/25/23/16/372252316.db2.gz PAPFTGNJHFUSFZ-NSHDSACASA-N 2 2 272.356 0.442 20 0 CCADLP C[C@@H](O)CNc1cc(NCCC[NH2+]C2CC2)[nH+]cn1 ZINC000634811198 372254896 /nfs/dbraw/zinc/25/48/96/372254896.db2.gz XOCPRTQRZOPCMU-SNVBAGLBSA-N 2 2 265.361 0.245 20 0 CCADLP C[C@@H](O)CNc1cc(NCCC[NH2+]C2CC2)nc[nH+]1 ZINC000634811198 372254903 /nfs/dbraw/zinc/25/49/03/372254903.db2.gz XOCPRTQRZOPCMU-SNVBAGLBSA-N 2 2 265.361 0.245 20 0 CCADLP C([N@@H+]1CCS[C@@H]2COCC[C@@H]21)C12CC(C1)C[NH2+]2 ZINC000634993118 372328975 /nfs/dbraw/zinc/32/89/75/372328975.db2.gz LQMADEMKQIDQFA-CMOBGSAGSA-N 2 2 254.399 0.945 20 0 CCADLP C([N@H+]1CCS[C@@H]2COCC[C@@H]21)C12CC(C1)C[NH2+]2 ZINC000634993118 372328981 /nfs/dbraw/zinc/32/89/81/372328981.db2.gz LQMADEMKQIDQFA-CMOBGSAGSA-N 2 2 254.399 0.945 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H](n1cncn1)C(F)(F)F ZINC000635023866 372351334 /nfs/dbraw/zinc/35/13/34/372351334.db2.gz SWWIJEKRESTLSC-VGMNWLOBSA-N 2 2 263.267 0.851 20 0 CCADLP C[N@@H+]1CC[C@@H](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000635110072 372375671 /nfs/dbraw/zinc/37/56/71/372375671.db2.gz PLZKNMCCWJXBMF-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP C[N@H+]1CC[C@@H](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000635110072 372375674 /nfs/dbraw/zinc/37/56/74/372375674.db2.gz PLZKNMCCWJXBMF-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@H](C(=O)N1CC[NH+](Cc2ccncc2)CC1)[NH+](C)C ZINC000635132159 372387327 /nfs/dbraw/zinc/38/73/27/372387327.db2.gz CRTBECWVCNNYKU-CYBMUJFWSA-N 2 2 276.384 0.676 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@H]1C[NH2+]CCC1(F)F ZINC000567982149 291543121 /nfs/dbraw/zinc/54/31/21/291543121.db2.gz OQFGCAKURQQWCW-VIFPVBQESA-N 2 2 258.272 0.387 20 0 CCADLP O=C(NCc1cn2ccccc2[nH+]1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000635528212 372590458 /nfs/dbraw/zinc/59/04/58/372590458.db2.gz PKPATLBVIJGAPM-JQWIXIFHSA-N 2 2 271.324 0.590 20 0 CCADLP COCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635479512 372546413 /nfs/dbraw/zinc/54/64/13/372546413.db2.gz OLXBFZWBQZXFLM-GHMZBOCLSA-N 2 2 266.345 0.208 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635479512 372546416 /nfs/dbraw/zinc/54/64/16/372546416.db2.gz OLXBFZWBQZXFLM-GHMZBOCLSA-N 2 2 266.345 0.208 20 0 CCADLP COCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635479512 372546422 /nfs/dbraw/zinc/54/64/22/372546422.db2.gz OLXBFZWBQZXFLM-GHMZBOCLSA-N 2 2 266.345 0.208 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635479512 372546427 /nfs/dbraw/zinc/54/64/27/372546427.db2.gz OLXBFZWBQZXFLM-GHMZBOCLSA-N 2 2 266.345 0.208 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)n1C ZINC000635556836 372624847 /nfs/dbraw/zinc/62/48/47/372624847.db2.gz KZCXKRKMBPATOG-GHMZBOCLSA-N 2 2 288.355 0.629 20 0 CCADLP C[C@@H]1CN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC[NH2+]1 ZINC000333137070 205061762 /nfs/dbraw/zinc/06/17/62/205061762.db2.gz CNLFBOBOQXSVHI-OLZOCXBDSA-N 2 2 289.383 0.664 20 0 CCADLP Cc1ccc2[nH+]c(Cn3cc(COCC[NH3+])nn3)cn2c1 ZINC000656447407 412800391 /nfs/dbraw/zinc/80/03/91/412800391.db2.gz AFJGNCKNRYVXGJ-UHFFFAOYSA-N 2 2 286.339 0.758 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)[nH+]1 ZINC000635712451 372801302 /nfs/dbraw/zinc/80/13/02/372801302.db2.gz PEIJITWGESAETI-JQWIXIFHSA-N 2 2 280.372 0.350 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)[nH+]1 ZINC000635712451 372801308 /nfs/dbraw/zinc/80/13/08/372801308.db2.gz PEIJITWGESAETI-JQWIXIFHSA-N 2 2 280.372 0.350 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[NH+]([C@H](CC)CO)CC2)[nH+]1 ZINC000635713498 372802377 /nfs/dbraw/zinc/80/23/77/372802377.db2.gz AZRNWWSTIYOPAV-CYBMUJFWSA-N 2 2 294.399 0.430 20 0 CCADLP Cc1cc(N2CC[C@H]([NH2+][C@H](C)[C@H]3CCC[NH2+]3)C2=O)n(C)n1 ZINC000333277792 205178634 /nfs/dbraw/zinc/17/86/34/205178634.db2.gz LVCKLBMNJXCRKD-UPJWGTAASA-N 2 2 291.399 0.564 20 0 CCADLP CCc1c[nH]c(CC(=O)NC2(CCO)CC[NH+](C)CC2)[nH+]1 ZINC000635775155 372891539 /nfs/dbraw/zinc/89/15/39/372891539.db2.gz TYEPSAUDKKVHEC-UHFFFAOYSA-N 2 2 294.399 0.478 20 0 CCADLP Cc1cn2ccc(C(=O)NCCOCC[NH+](C)C)cc2[nH+]1 ZINC000635771477 372886387 /nfs/dbraw/zinc/88/63/87/372886387.db2.gz ACXSKSOGZZZUQR-UHFFFAOYSA-N 2 2 290.367 0.951 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000333394542 205283679 /nfs/dbraw/zinc/28/36/79/205283679.db2.gz PGBCLQMKFSMDAC-STQMWFEESA-N 2 2 298.431 0.537 20 0 CCADLP C[N@@H+]1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC000635954577 373154327 /nfs/dbraw/zinc/15/43/27/373154327.db2.gz NKGGGRRDZOECGU-PRULPYPASA-N 2 2 260.341 0.676 20 0 CCADLP C[N@H+]1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC000635954577 373154334 /nfs/dbraw/zinc/15/43/34/373154334.db2.gz NKGGGRRDZOECGU-PRULPYPASA-N 2 2 260.341 0.676 20 0 CCADLP C[N@@H+]1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC000635954577 373154341 /nfs/dbraw/zinc/15/43/41/373154341.db2.gz NKGGGRRDZOECGU-PRULPYPASA-N 2 2 260.341 0.676 20 0 CCADLP C[N@H+]1C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC000635954577 373154348 /nfs/dbraw/zinc/15/43/48/373154348.db2.gz NKGGGRRDZOECGU-PRULPYPASA-N 2 2 260.341 0.676 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@H]2CCC[N@H+](CCCO)C2)[nH+]1 ZINC000635976832 373191965 /nfs/dbraw/zinc/19/19/65/373191965.db2.gz OGOQCPCUMKADNM-ZDUSSCGKSA-N 2 2 294.399 0.478 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)[nH+]1 ZINC000635976832 373191973 /nfs/dbraw/zinc/19/19/73/373191973.db2.gz OGOQCPCUMKADNM-ZDUSSCGKSA-N 2 2 294.399 0.478 20 0 CCADLP C[C@@H]1C[N@H+](CCO)CCN1C(=O)C[NH+](C)CC(C)(C)C ZINC000636012295 373242592 /nfs/dbraw/zinc/24/25/92/373242592.db2.gz UGUIGWHVJNVLFW-CYBMUJFWSA-N 2 2 285.432 0.489 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)C[NH+](C)CC(C)(C)C ZINC000636012295 373242598 /nfs/dbraw/zinc/24/25/98/373242598.db2.gz UGUIGWHVJNVLFW-CYBMUJFWSA-N 2 2 285.432 0.489 20 0 CCADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC000636012295 373242602 /nfs/dbraw/zinc/24/26/02/373242602.db2.gz UGUIGWHVJNVLFW-CYBMUJFWSA-N 2 2 285.432 0.489 20 0 CCADLP C[C@@H]1C[NH+](CCO)CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC000636012295 373242607 /nfs/dbraw/zinc/24/26/07/373242607.db2.gz UGUIGWHVJNVLFW-CYBMUJFWSA-N 2 2 285.432 0.489 20 0 CCADLP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000637434094 374149353 /nfs/dbraw/zinc/14/93/53/374149353.db2.gz NMKVNOVQQZDOSD-OKILXGFUSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000637434094 374149361 /nfs/dbraw/zinc/14/93/61/374149361.db2.gz NMKVNOVQQZDOSD-OKILXGFUSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NC[C@H]1COCC[NH+]1C ZINC000637441743 374161483 /nfs/dbraw/zinc/16/14/83/374161483.db2.gz OGJHOESLSMSTOR-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NC[C@H]1COCC[NH+]1C ZINC000637441743 374161494 /nfs/dbraw/zinc/16/14/94/374161494.db2.gz OGJHOESLSMSTOR-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@@H]1C[NH+](CC)CCN1C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637441743 374161500 /nfs/dbraw/zinc/16/15/00/374161500.db2.gz OGJHOESLSMSTOR-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@@H]1C[NH+](CC)CCN1C(=O)NC[C@H]1COCC[N@H+]1C ZINC000637441743 374161508 /nfs/dbraw/zinc/16/15/08/374161508.db2.gz OGJHOESLSMSTOR-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000656538893 412819371 /nfs/dbraw/zinc/81/93/71/412819371.db2.gz JYQLCBAEPCIKOQ-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000656538893 412819377 /nfs/dbraw/zinc/81/93/77/412819377.db2.gz JYQLCBAEPCIKOQ-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NCC1CC[NH2+]CC1)CC2 ZINC000637805982 374336413 /nfs/dbraw/zinc/33/64/13/374336413.db2.gz RVRJHYAFTTWZPX-CYBMUJFWSA-N 2 2 276.384 0.870 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCC[C@H](C)[NH3+])CC2 ZINC000637823524 374360817 /nfs/dbraw/zinc/36/08/17/374360817.db2.gz IABSWJYQQGCQAV-ONGXEEELSA-N 2 2 250.346 0.607 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC(C)(C)C[NH3+])CC2 ZINC000637831339 374373529 /nfs/dbraw/zinc/37/35/29/374373529.db2.gz WNZCUWQLRXLWMX-JTQLQIEISA-N 2 2 250.346 0.607 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1)CC2 ZINC000637842152 374392625 /nfs/dbraw/zinc/39/26/25/374392625.db2.gz XQBBPIWDACIVBH-NQBHXWOUSA-N 2 2 276.384 0.963 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N(C)[C@@H](C)C[NH3+])CC2 ZINC000637843819 374395282 /nfs/dbraw/zinc/39/52/82/374395282.db2.gz ZTKYONCYQDZWBW-WDEREUQCSA-N 2 2 250.346 0.560 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@H](C[NH2+]C)C2)[nH+]1 ZINC000637834567 374379090 /nfs/dbraw/zinc/37/90/90/374379090.db2.gz FDGSCDNZMKYAAU-SNVBAGLBSA-N 2 2 250.346 0.583 20 0 CCADLP Cc1n[nH]c(C)c1CCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000637867186 374432963 /nfs/dbraw/zinc/43/29/63/374432963.db2.gz SMVJVBQHXBWSER-GFCCVEGCSA-N 2 2 279.388 0.060 20 0 CCADLP Cc1n[nH]c(C)c1CCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000637867186 374432967 /nfs/dbraw/zinc/43/29/67/374432967.db2.gz SMVJVBQHXBWSER-GFCCVEGCSA-N 2 2 279.388 0.060 20 0 CCADLP CC(C)C[NH+]1CCN(Cc2c[nH+]c(N)nc2N)CC1 ZINC000637860824 374419939 /nfs/dbraw/zinc/41/99/39/374419939.db2.gz DFZOFUKBVFVFQB-UHFFFAOYSA-N 2 2 264.377 0.075 20 0 CCADLP Nc1nc(N)c(CN2CC[NH+](C3CCCCC3)CC2)c[nH+]1 ZINC000637889088 374452937 /nfs/dbraw/zinc/45/29/37/374452937.db2.gz FHHXXBUMRJRAOI-UHFFFAOYSA-N 2 2 290.415 0.752 20 0 CCADLP COC[C@]1(C(=O)NCCn2cc[nH+]c2)CCCC[NH2+]1 ZINC000638051951 374593092 /nfs/dbraw/zinc/59/30/92/374593092.db2.gz VDRQOWJLGGROGF-ZDUSSCGKSA-N 2 2 266.345 0.158 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000638050615 374593993 /nfs/dbraw/zinc/59/39/93/374593993.db2.gz ZLDAEQFIPXBGHG-NSHDSACASA-N 2 2 257.378 0.211 20 0 CCADLP CC[NH2+][C@H](C)C(=O)NCCCNc1cccc[nH+]1 ZINC000638072529 374624948 /nfs/dbraw/zinc/62/49/48/374624948.db2.gz NSHKCZLSJUAJMA-LLVKDONJSA-N 2 2 250.346 0.998 20 0 CCADLP CC[NH2+][C@H](C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000638088885 374648234 /nfs/dbraw/zinc/64/82/34/374648234.db2.gz RCFDZWMCZLFHKR-CYBMUJFWSA-N 3 2 296.459 0.659 20 0 CCADLP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1c[nH+]c(N)nc1N ZINC000638097486 374658996 /nfs/dbraw/zinc/65/89/96/374658996.db2.gz FDALLLWFQQJKKQ-PWSUYJOCSA-N 2 2 276.388 0.360 20 0 CCADLP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1Cc1c[nH+]c(N)nc1N ZINC000638097486 374659005 /nfs/dbraw/zinc/65/90/05/374659005.db2.gz FDALLLWFQQJKKQ-PWSUYJOCSA-N 2 2 276.388 0.360 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000638165583 374744814 /nfs/dbraw/zinc/74/48/14/374744814.db2.gz QQMVIMJKYGUSRR-ZDUSSCGKSA-N 2 2 250.346 0.767 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000638165583 374744822 /nfs/dbraw/zinc/74/48/22/374744822.db2.gz QQMVIMJKYGUSRR-ZDUSSCGKSA-N 2 2 250.346 0.767 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H](C)CC[NH3+])CC2 ZINC000638153118 374722729 /nfs/dbraw/zinc/72/27/29/374722729.db2.gz CEQBBADBYIBZMZ-GXSJLCMTSA-N 2 2 250.346 0.607 20 0 CCADLP CC[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1[NH3+] ZINC000638209178 374797145 /nfs/dbraw/zinc/79/71/45/374797145.db2.gz WPOPUTVJLQJTDY-WDEREUQCSA-N 2 2 250.346 0.846 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000638214990 374803753 /nfs/dbraw/zinc/80/37/53/374803753.db2.gz IDIJANHKFZADNF-CQSZACIVSA-N 2 2 285.351 0.760 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)[nH+]1 ZINC000638226265 374813236 /nfs/dbraw/zinc/81/32/36/374813236.db2.gz HKFROHYXNKZTTC-NWDGAFQWSA-N 2 2 278.356 0.104 20 0 CCADLP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@H]([NH3+])CN(C)Cc1ccccc1 ZINC000638235046 374829074 /nfs/dbraw/zinc/82/90/74/374829074.db2.gz MPRCYROTNCILNG-BPLDGKMQSA-N 2 2 290.411 0.394 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@@H]2CCC[NH2+]CC2)[nH+]1 ZINC000638191208 374771888 /nfs/dbraw/zinc/77/18/88/374771888.db2.gz UVUYVPLBUGDMNE-LLVKDONJSA-N 2 2 250.346 0.773 20 0 CCADLP Cc1cn2ccc(C(=O)NC[C@@H]3C[NH2+]CCCO3)cc2[nH+]1 ZINC000638268207 374868396 /nfs/dbraw/zinc/86/83/96/374868396.db2.gz XKOUIGDEXJZZHX-ZDUSSCGKSA-N 2 2 288.351 0.751 20 0 CCADLP CO[C@@]1(C[NH2+]C[C@@H]2C[N@H+](CC(C)C)CCO2)CCOC1 ZINC000638279507 374885925 /nfs/dbraw/zinc/88/59/25/374885925.db2.gz RTTPEFKYUPCALA-HUUCEWRRSA-N 2 2 286.416 0.738 20 0 CCADLP CO[C@@]1(C[NH2+]C[C@@H]2C[N@@H+](CC(C)C)CCO2)CCOC1 ZINC000638279507 374885929 /nfs/dbraw/zinc/88/59/29/374885929.db2.gz RTTPEFKYUPCALA-HUUCEWRRSA-N 2 2 286.416 0.738 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000638248176 374842810 /nfs/dbraw/zinc/84/28/10/374842810.db2.gz XTCJAEJSQXHONQ-UHFFFAOYSA-N 2 2 262.357 0.863 20 0 CCADLP [NH3+][C@H]1CC=C(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000638290657 374899219 /nfs/dbraw/zinc/89/92/19/374899219.db2.gz UBOAZVRMQJZROX-STQMWFEESA-N 2 2 272.352 0.824 20 0 CCADLP C[C@H]1CCC[N@H+](CC[NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000638363178 374958739 /nfs/dbraw/zinc/95/87/39/374958739.db2.gz KQAFQBBXDNJNHQ-QWHCGFSZSA-N 2 2 253.390 0.977 20 0 CCADLP C[C@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000638363178 374958744 /nfs/dbraw/zinc/95/87/44/374958744.db2.gz KQAFQBBXDNJNHQ-QWHCGFSZSA-N 2 2 253.390 0.977 20 0 CCADLP CCc1c[nH]c(CC(=O)NCCC[NH2+]C2CC2)[nH+]1 ZINC000638375414 374971365 /nfs/dbraw/zinc/97/13/65/374971365.db2.gz XHHPUMYZZMGRHE-UHFFFAOYSA-N 2 2 250.346 0.773 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CCc2[nH+]ccn2C1 ZINC000638507461 375097120 /nfs/dbraw/zinc/09/71/20/375097120.db2.gz IIJJIBWKVPZTTC-NEPJUHHUSA-N 2 2 274.368 0.846 20 0 CCADLP C[C@@H]1CN(C(=O)C2(O)C[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000638448455 375050636 /nfs/dbraw/zinc/05/06/36/375050636.db2.gz RMEYRONQSVOTMM-CYBMUJFWSA-N 2 2 289.379 0.054 20 0 CCADLP C[C@@H]1CN(C(=O)C2(O)C[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000638448455 375050640 /nfs/dbraw/zinc/05/06/40/375050640.db2.gz RMEYRONQSVOTMM-CYBMUJFWSA-N 2 2 289.379 0.054 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000638573908 375149867 /nfs/dbraw/zinc/14/98/67/375149867.db2.gz MAQBZJCGPNMNBJ-GRYCIOLGSA-N 2 2 262.357 0.702 20 0 CCADLP Cc1cc(NCCNC(=O)C[C@H](C)[NH3+])nc(C(C)C)[nH+]1 ZINC000638584585 375164697 /nfs/dbraw/zinc/16/46/97/375164697.db2.gz UFSIEBGBHFPPSI-JTQLQIEISA-N 2 2 279.388 0.596 20 0 CCADLP Cc1cc(NCCNC(=O)[C@@H](C)[NH3+])nc(C(C)C)[nH+]1 ZINC000638584833 375165844 /nfs/dbraw/zinc/16/58/44/375165844.db2.gz ZCPXSRPSDBRPNW-SNVBAGLBSA-N 2 2 265.361 0.206 20 0 CCADLP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000638631717 375236171 /nfs/dbraw/zinc/23/61/71/375236171.db2.gz WQCMYLWGVDOOHS-CSYMLDBXSA-N 2 2 257.378 0.194 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C[NH2+]1 ZINC000638652783 375256414 /nfs/dbraw/zinc/25/64/14/375256414.db2.gz UVUXBPQGBRPNKX-VNHYZAJKSA-N 2 2 295.427 0.887 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C[NH2+]1 ZINC000638652783 375256421 /nfs/dbraw/zinc/25/64/21/375256421.db2.gz UVUXBPQGBRPNKX-VNHYZAJKSA-N 2 2 295.427 0.887 20 0 CCADLP CC(C)C[C@@H](C(=O)NC[C@@H]1COCC[NH2+]1)n1cc[nH+]c1 ZINC000638612208 375194711 /nfs/dbraw/zinc/19/47/11/375194711.db2.gz NKFSEKYQSVSRQH-OLZOCXBDSA-N 2 2 280.372 0.575 20 0 CCADLP O=C(NC[C@@H]1COCC[NH2+]1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000638620086 375215251 /nfs/dbraw/zinc/21/52/51/375215251.db2.gz YPBWEYKFUCPBMZ-CYBMUJFWSA-N 2 2 286.335 0.591 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000638690193 375296538 /nfs/dbraw/zinc/29/65/38/375296538.db2.gz PWKTXWQRQMAJSA-OPDFLTKYSA-N 2 2 253.390 0.818 20 0 CCADLP COCCC[N@H+](C)CC[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1 ZINC000638710106 375314372 /nfs/dbraw/zinc/31/43/72/375314372.db2.gz NDPVECLGLMUDKM-KGLIPLIRSA-N 2 2 285.432 0.992 20 0 CCADLP COCCC[N@@H+](C)CC[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1 ZINC000638710106 375314376 /nfs/dbraw/zinc/31/43/76/375314376.db2.gz NDPVECLGLMUDKM-KGLIPLIRSA-N 2 2 285.432 0.992 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N(C)CCOCC[NH3+])CC2 ZINC000638669331 375273187 /nfs/dbraw/zinc/27/31/87/375273187.db2.gz AUXSCHZPQHMZED-LBPRGKRZSA-N 2 2 280.372 0.188 20 0 CCADLP CCC(CC)[C@@H](C(=O)N[C@@H]1CC[NH2+][C@H]1C)[NH+]1CCOCC1 ZINC000638767922 375344288 /nfs/dbraw/zinc/34/42/88/375344288.db2.gz MFOBRAKTKFMLBS-CFVMTHIKSA-N 2 2 297.443 0.990 20 0 CCADLP Cc1c[nH+]ccc1CC[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000638793032 375359681 /nfs/dbraw/zinc/35/96/81/375359681.db2.gz STYZCKHINNVYMJ-UHFFFAOYSA-N 2 2 295.364 0.963 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H]1CCCC12CC2 ZINC000638795479 375364655 /nfs/dbraw/zinc/36/46/55/375364655.db2.gz ONQDEGBCUBFVGY-NEPJUHHUSA-N 2 2 253.390 0.962 20 0 CCADLP Cc1[nH+]c2ccccc2n1CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638927584 375463347 /nfs/dbraw/zinc/46/33/47/375463347.db2.gz CDKLGSLGYWBLBF-RYUDHWBXSA-N 2 2 270.336 0.917 20 0 CCADLP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638935722 375470965 /nfs/dbraw/zinc/47/09/65/375470965.db2.gz CFZPBSNCIQZAAA-GUTXKFCHSA-N 2 2 293.411 0.593 20 0 CCADLP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638935722 375470969 /nfs/dbraw/zinc/47/09/69/375470969.db2.gz CFZPBSNCIQZAAA-GUTXKFCHSA-N 2 2 293.411 0.593 20 0 CCADLP C[NH2+]CCCC(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639004101 375512439 /nfs/dbraw/zinc/51/24/39/375512439.db2.gz MAUWAXWUPZMGQE-UHFFFAOYSA-N 2 2 291.399 0.163 20 0 CCADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000639017751 375521874 /nfs/dbraw/zinc/52/18/74/375521874.db2.gz YNVKKWSETMYRJR-BXKDBHETSA-N 2 2 252.318 0.135 20 0 CCADLP CC[N@H+](CCO)CC[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1 ZINC000639053541 375549517 /nfs/dbraw/zinc/54/95/17/375549517.db2.gz JHCGLBRWIJTYDK-QWHCGFSZSA-N 2 2 271.405 0.338 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1 ZINC000639053541 375549523 /nfs/dbraw/zinc/54/95/23/375549523.db2.gz JHCGLBRWIJTYDK-QWHCGFSZSA-N 2 2 271.405 0.338 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]Cc1cccc(F)c1N ZINC000639053618 375550125 /nfs/dbraw/zinc/55/01/25/375550125.db2.gz KMYCYEQUTCUEAL-UHFFFAOYSA-N 2 2 255.337 0.812 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]Cc1cccc(F)c1N ZINC000639053618 375550133 /nfs/dbraw/zinc/55/01/33/375550133.db2.gz KMYCYEQUTCUEAL-UHFFFAOYSA-N 2 2 255.337 0.812 20 0 CCADLP O=C1C[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)CCCN1 ZINC000639149677 375604399 /nfs/dbraw/zinc/60/43/99/375604399.db2.gz SOFAWLWZXJHIAT-LLVKDONJSA-N 2 2 262.357 0.978 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000574612118 335033732 /nfs/dbraw/zinc/03/37/32/335033732.db2.gz JUYPNTDISDDGAF-JTQLQIEISA-N 2 2 268.386 0.474 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000574612118 335033733 /nfs/dbraw/zinc/03/37/33/335033733.db2.gz JUYPNTDISDDGAF-JTQLQIEISA-N 2 2 268.386 0.474 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]CCN1CCOC(C)(C)C1)C1CC1 ZINC000574632337 335035230 /nfs/dbraw/zinc/03/52/30/335035230.db2.gz UTKGVSFTIBOSSL-AWEZNQCLSA-N 2 2 285.432 0.142 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]CCN1CCOC(C)(C)C1)C1CC1 ZINC000574632337 335035232 /nfs/dbraw/zinc/03/52/32/335035232.db2.gz UTKGVSFTIBOSSL-AWEZNQCLSA-N 2 2 285.432 0.142 20 0 CCADLP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000639220293 375644912 /nfs/dbraw/zinc/64/49/12/375644912.db2.gz XBEGAGUTNPNXDJ-ILXRZTDVSA-N 2 2 297.443 0.870 20 0 CCADLP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000639220293 375644913 /nfs/dbraw/zinc/64/49/13/375644913.db2.gz XBEGAGUTNPNXDJ-ILXRZTDVSA-N 2 2 297.443 0.870 20 0 CCADLP C[C@@H](Cc1cnccn1)[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000639220548 375645547 /nfs/dbraw/zinc/64/55/47/375645547.db2.gz ZWPJTYHISPOXCP-KBPBESRZSA-N 2 2 278.400 0.844 20 0 CCADLP C[C@@H](Cc1cnccn1)[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000639220548 375645555 /nfs/dbraw/zinc/64/55/55/375645555.db2.gz ZWPJTYHISPOXCP-KBPBESRZSA-N 2 2 278.400 0.844 20 0 CCADLP CC(=O)N1CC[N@H+](CCc2c[nH+]cn2C)[C@H](C)C1 ZINC000639517124 375820225 /nfs/dbraw/zinc/82/02/25/375820225.db2.gz DSRHOXZBAKGCNE-LLVKDONJSA-N 2 2 250.346 0.515 20 0 CCADLP CC(=O)N1CC[N@@H+](CCc2c[nH+]cn2C)[C@H](C)C1 ZINC000639517124 375820230 /nfs/dbraw/zinc/82/02/30/375820230.db2.gz DSRHOXZBAKGCNE-LLVKDONJSA-N 2 2 250.346 0.515 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000639547903 375830657 /nfs/dbraw/zinc/83/06/57/375830657.db2.gz YEYDRTAUJLNUBG-CYBMUJFWSA-N 2 2 274.372 0.966 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000639547903 375830662 /nfs/dbraw/zinc/83/06/62/375830662.db2.gz YEYDRTAUJLNUBG-CYBMUJFWSA-N 2 2 274.372 0.966 20 0 CCADLP COCC[N@H+](CCc1c[nH+]cn1C)[C@@H]1CCOC1 ZINC000639616302 375863865 /nfs/dbraw/zinc/86/38/65/375863865.db2.gz DEAQQXSUWADURB-CYBMUJFWSA-N 2 2 253.346 0.700 20 0 CCADLP COCC[N@@H+](CCc1c[nH+]cn1C)[C@@H]1CCOC1 ZINC000639616302 375863873 /nfs/dbraw/zinc/86/38/73/375863873.db2.gz DEAQQXSUWADURB-CYBMUJFWSA-N 2 2 253.346 0.700 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCN(c2ncc(F)cn2)CC1 ZINC000639585509 375843949 /nfs/dbraw/zinc/84/39/49/375843949.db2.gz JANLLEVQLHQHAM-UHFFFAOYSA-N 2 2 290.346 0.714 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000639654445 375892068 /nfs/dbraw/zinc/89/20/68/375892068.db2.gz LSNDUZGWYPCGEL-NSHDSACASA-N 2 2 271.386 0.329 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000639654445 375892072 /nfs/dbraw/zinc/89/20/72/375892072.db2.gz LSNDUZGWYPCGEL-NSHDSACASA-N 2 2 271.386 0.329 20 0 CCADLP C[C@H]1OCC[C@]12C[N@H+](CCc1c[nH+]cn1C)CCO2 ZINC000639622836 375867425 /nfs/dbraw/zinc/86/74/25/375867425.db2.gz UTFIMDVMLOQMOT-OCCSQVGLSA-N 2 2 265.357 0.842 20 0 CCADLP C[C@H]1OCC[C@]12C[N@@H+](CCc1c[nH+]cn1C)CCO2 ZINC000639622836 375867427 /nfs/dbraw/zinc/86/74/27/375867427.db2.gz UTFIMDVMLOQMOT-OCCSQVGLSA-N 2 2 265.357 0.842 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000639622866 375868363 /nfs/dbraw/zinc/86/83/63/375868363.db2.gz JSUYLJKQYREHEF-SNVBAGLBSA-N 2 2 277.328 0.931 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000639622866 375868371 /nfs/dbraw/zinc/86/83/71/375868371.db2.gz JSUYLJKQYREHEF-SNVBAGLBSA-N 2 2 277.328 0.931 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]CCO[C@H]1CC1(F)F)C1CC1 ZINC000656709510 412844645 /nfs/dbraw/zinc/84/46/45/412844645.db2.gz XBOXRLVORZNAIN-QWRGUYRKSA-N 2 2 264.316 0.455 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]CCO[C@H]1CC1(F)F)C1CC1 ZINC000656709510 412844648 /nfs/dbraw/zinc/84/46/48/412844648.db2.gz XBOXRLVORZNAIN-QWRGUYRKSA-N 2 2 264.316 0.455 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCC(c2nnc(N)o2)CC1 ZINC000639724115 375951865 /nfs/dbraw/zinc/95/18/65/375951865.db2.gz HKCNBGLUBPBWHS-UHFFFAOYSA-N 2 2 276.344 0.867 20 0 CCADLP C[C@H](C(=O)N1CCCCC1)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639768434 375999069 /nfs/dbraw/zinc/99/90/69/375999069.db2.gz YWTMEJOUPJZDCR-ZBFHGGJFSA-N 2 2 297.443 0.776 20 0 CCADLP C[C@H](C(=O)N1CCCCC1)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639768434 375999077 /nfs/dbraw/zinc/99/90/77/375999077.db2.gz YWTMEJOUPJZDCR-ZBFHGGJFSA-N 2 2 297.443 0.776 20 0 CCADLP Cc1cncc(CC[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)n1 ZINC000639762784 375990108 /nfs/dbraw/zinc/99/01/08/375990108.db2.gz NRUXLQSPYQKKLS-HNNXBMFYSA-N 2 2 278.400 0.716 20 0 CCADLP Cc1cncc(CC[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)n1 ZINC000639762784 375990112 /nfs/dbraw/zinc/99/01/12/375990112.db2.gz NRUXLQSPYQKKLS-HNNXBMFYSA-N 2 2 278.400 0.716 20 0 CCADLP C[N@H+](CCc1cncs1)CC(=O)N1CC[NH+](C)CC1 ZINC000640051603 376215542 /nfs/dbraw/zinc/21/55/42/376215542.db2.gz RSDMGPODMAELOV-UHFFFAOYSA-N 2 2 282.413 0.391 20 0 CCADLP C[N@@H+](CCc1cncs1)CC(=O)N1CC[NH+](C)CC1 ZINC000640051603 376215546 /nfs/dbraw/zinc/21/55/46/376215546.db2.gz RSDMGPODMAELOV-UHFFFAOYSA-N 2 2 282.413 0.391 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@](C)(O)C(F)(F)F ZINC000640051274 376217087 /nfs/dbraw/zinc/21/70/87/376217087.db2.gz MLXQTDPQJKJPAY-NSHDSACASA-N 2 2 297.321 0.006 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@](C)(O)C(F)(F)F ZINC000640051274 376217092 /nfs/dbraw/zinc/21/70/92/376217092.db2.gz MLXQTDPQJKJPAY-NSHDSACASA-N 2 2 297.321 0.006 20 0 CCADLP CCO[C@@H](C[N@H+](C)CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000640060310 376222384 /nfs/dbraw/zinc/22/23/84/376222384.db2.gz GSAVXVIMHMGVNO-AWEZNQCLSA-N 2 2 283.416 0.507 20 0 CCADLP CCO[C@@H](C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000640060310 376222387 /nfs/dbraw/zinc/22/23/87/376222387.db2.gz GSAVXVIMHMGVNO-AWEZNQCLSA-N 2 2 283.416 0.507 20 0 CCADLP Cc1ccc(C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)cn1 ZINC000640059581 376222854 /nfs/dbraw/zinc/22/28/54/376222854.db2.gz CVLUWHTVLQKSCW-UHFFFAOYSA-N 2 2 276.384 0.596 20 0 CCADLP Cc1ccc(C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)cn1 ZINC000640059581 376222863 /nfs/dbraw/zinc/22/28/63/376222863.db2.gz CVLUWHTVLQKSCW-UHFFFAOYSA-N 2 2 276.384 0.596 20 0 CCADLP CC(C)(C)[C@H]([NH3+])c1cn(CC[NH+]2CCOCC2)nn1 ZINC000641033884 376690940 /nfs/dbraw/zinc/69/09/40/376690940.db2.gz PQNZCQOSHJTOCZ-GFCCVEGCSA-N 2 2 267.377 0.656 20 0 CCADLP Cc1cc[nH+]cc1Cn1cc(CN2CC[NH+](C)CC2)nn1 ZINC000641071066 376738570 /nfs/dbraw/zinc/73/85/70/376738570.db2.gz VMPPRMCAAQIIBS-UHFFFAOYSA-N 2 2 286.383 0.777 20 0 CCADLP COCC[C@H]([NH3+])Cc1cn(Cc2cc[nH+]c(C)c2)nn1 ZINC000641090595 376765418 /nfs/dbraw/zinc/76/54/18/376765418.db2.gz YHIMSHFBQKPECW-ZDUSSCGKSA-N 2 2 275.356 0.936 20 0 CCADLP COC[C@H]([NH3+])Cc1cn(Cc2ccc(C)[nH+]c2C)nn1 ZINC000641096418 376777117 /nfs/dbraw/zinc/77/71/17/376777117.db2.gz STXXZJDZTAMNQN-CYBMUJFWSA-N 2 2 275.356 0.854 20 0 CCADLP CC(C)Oc1cc[nH+]c(Cn2cc(C[C@H]([NH3+])CO)nn2)c1 ZINC000641205491 376879673 /nfs/dbraw/zinc/87/96/73/376879673.db2.gz XCBKPIUBVFVKQQ-NSHDSACASA-N 2 2 291.355 0.371 20 0 CCADLP O=S(=O)(CCn1cc[nH+]c1)NCCNc1cccc[nH+]1 ZINC000641390418 377060913 /nfs/dbraw/zinc/06/09/13/377060913.db2.gz BRIXAXRKQCWQKL-UHFFFAOYSA-N 2 2 295.368 0.310 20 0 CCADLP CN([C@@H]1C[NH+]2CCC1CC2)S(=O)(=O)CCn1cc[nH+]c1 ZINC000641541386 377244016 /nfs/dbraw/zinc/24/40/16/377244016.db2.gz BUFSUEPVULOMFD-CYBMUJFWSA-N 2 2 298.412 0.239 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)NCc1[nH]cc(C)[nH+]1 ZINC000641770303 377452794 /nfs/dbraw/zinc/45/27/94/377452794.db2.gz MOWKDRBASCZHEU-LBPRGKRZSA-N 2 2 254.378 0.901 20 0 CCADLP CCn1nncc1C[NH2+][C@H](CO)CC[NH+](CC)CC ZINC000641770017 377453975 /nfs/dbraw/zinc/45/39/75/377453975.db2.gz HWWFEJALAYJBAT-LBPRGKRZSA-N 2 2 269.393 0.480 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000641773624 377455455 /nfs/dbraw/zinc/45/54/55/377455455.db2.gz YLUMYPNFLYPBBG-HNNXBMFYSA-N 2 2 293.411 0.968 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1ccc(CO)o1 ZINC000641773238 377456251 /nfs/dbraw/zinc/45/62/51/377456251.db2.gz XCOYDBGZPQMNOX-LBPRGKRZSA-N 2 2 270.373 0.954 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccncc1N ZINC000641776292 377458152 /nfs/dbraw/zinc/45/81/52/377458152.db2.gz XIRNUDYNSNTMOI-ZDUSSCGKSA-N 2 2 277.372 0.093 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccncc1N ZINC000641776292 377458159 /nfs/dbraw/zinc/45/81/59/377458159.db2.gz XIRNUDYNSNTMOI-ZDUSSCGKSA-N 2 2 277.372 0.093 20 0 CCADLP CO[C@H](C)[C@H](C)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641789015 377464537 /nfs/dbraw/zinc/46/45/37/377464537.db2.gz WZJNGNJJASDLPM-XHSDSOJGSA-N 2 2 299.459 0.796 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCS(=O)(=O)c1ccccn1 ZINC000641800309 377469625 /nfs/dbraw/zinc/46/96/25/377469625.db2.gz AONQSGVLFZXOOW-MNOVXSKESA-N 2 2 283.397 0.571 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCS(=O)(=O)N(C)C)[C@H]1C ZINC000641807490 377480442 /nfs/dbraw/zinc/48/04/42/377480442.db2.gz UWNQTNOWYKGYHO-GRYCIOLGSA-N 2 2 277.434 0.326 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCS(=O)(=O)N(C)C)[C@H]1C ZINC000641807490 377480447 /nfs/dbraw/zinc/48/04/47/377480447.db2.gz UWNQTNOWYKGYHO-GRYCIOLGSA-N 2 2 277.434 0.326 20 0 CCADLP C[C@H](NC(=O)N1CC[N@H+](C)C(C)(C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000641814503 377486144 /nfs/dbraw/zinc/48/61/44/377486144.db2.gz SCZCWUICOFYQND-STQMWFEESA-N 2 2 298.431 0.441 20 0 CCADLP C[C@H](NC(=O)N1CC[N@@H+](C)C(C)(C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000641814503 377486154 /nfs/dbraw/zinc/48/61/54/377486154.db2.gz SCZCWUICOFYQND-STQMWFEESA-N 2 2 298.431 0.441 20 0 CCADLP C[C@H](NC(=O)N1CC[NH+](C)C(C)(C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000641814503 377486161 /nfs/dbraw/zinc/48/61/61/377486161.db2.gz SCZCWUICOFYQND-STQMWFEESA-N 2 2 298.431 0.441 20 0 CCADLP C[C@H](NC(=O)N1CC[NH+](C)C(C)(C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000641814503 377486171 /nfs/dbraw/zinc/48/61/71/377486171.db2.gz SCZCWUICOFYQND-STQMWFEESA-N 2 2 298.431 0.441 20 0 CCADLP COc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cn1 ZINC000422965867 249012243 /nfs/dbraw/zinc/01/22/43/249012243.db2.gz PXLKCPCVAYULCV-ZFWWWQNUSA-N 2 2 277.368 0.947 20 0 CCADLP CC[C@H](Cn1cncn1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000516354558 249162395 /nfs/dbraw/zinc/16/23/95/249162395.db2.gz SFXKYEWLSFCRNL-MNOVXSKESA-N 2 2 260.345 0.927 20 0 CCADLP CC[C@H](Cn1cncn1)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000516354558 249162397 /nfs/dbraw/zinc/16/23/97/249162397.db2.gz SFXKYEWLSFCRNL-MNOVXSKESA-N 2 2 260.345 0.927 20 0 CCADLP Cc1noc(C)c1[C@@H](C)CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000515842272 249144855 /nfs/dbraw/zinc/14/48/55/249144855.db2.gz VILMQWWGYZEMDI-GXFFZTMASA-N 2 2 294.399 0.886 20 0 CCADLP OCC1(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CCCC1 ZINC000517024123 249198483 /nfs/dbraw/zinc/19/84/83/249198483.db2.gz GDCROWGYVGBGPF-ZIAGYGMSSA-N 2 2 268.401 0.896 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)N(C)Cc1cnn(C)c1 ZINC000517747594 249230152 /nfs/dbraw/zinc/23/01/52/249230152.db2.gz YQYHFLVOQPIMLV-AWEZNQCLSA-N 2 2 295.431 0.684 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)N(C)Cc1cnn(C)c1 ZINC000517747594 249230154 /nfs/dbraw/zinc/23/01/54/249230154.db2.gz YQYHFLVOQPIMLV-AWEZNQCLSA-N 2 2 295.431 0.684 20 0 CCADLP CN(CC[NH3+])C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000518768399 249259593 /nfs/dbraw/zinc/25/95/93/249259593.db2.gz KTIGQYDDSWTWFG-UHFFFAOYSA-N 2 2 272.352 0.891 20 0 CCADLP CC[C@@H](C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)OC ZINC000642698819 377608566 /nfs/dbraw/zinc/60/85/66/377608566.db2.gz TUMDGUCISBADAE-UONOGXRCSA-N 2 2 283.416 0.826 20 0 CCADLP CC[C@@H](C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1)OC ZINC000642698819 377608573 /nfs/dbraw/zinc/60/85/73/377608573.db2.gz TUMDGUCISBADAE-UONOGXRCSA-N 2 2 283.416 0.826 20 0 CCADLP C[C@@H](NC(=O)N1CCn2c[nH+]cc2C1)[C@H]1C[N@H+](C)CCO1 ZINC000642703536 377610144 /nfs/dbraw/zinc/61/01/44/377610144.db2.gz HUBZZTRJZJSZFZ-DGCLKSJQSA-N 2 2 293.371 0.127 20 0 CCADLP C[C@@H](NC(=O)N1CCn2c[nH+]cc2C1)[C@H]1C[N@@H+](C)CCO1 ZINC000642703536 377610148 /nfs/dbraw/zinc/61/01/48/377610148.db2.gz HUBZZTRJZJSZFZ-DGCLKSJQSA-N 2 2 293.371 0.127 20 0 CCADLP [NH3+]C[C@H]1CCCCN1c1cc(N2CCOCC2)[nH+]cn1 ZINC000642996576 377685157 /nfs/dbraw/zinc/68/51/57/377685157.db2.gz HYOUUFULEVHKOF-GFCCVEGCSA-N 2 2 277.372 0.631 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)c1cc(C[NH+]2CCCC2)on1 ZINC000643203539 377730850 /nfs/dbraw/zinc/73/08/50/377730850.db2.gz ICBYFSGAPHFZJZ-UHFFFAOYSA-N 2 2 289.339 0.966 20 0 CCADLP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000362313985 284692689 /nfs/dbraw/zinc/69/26/89/284692689.db2.gz MJQJSPKCWHVREJ-CABCVRRESA-N 2 2 297.443 0.897 20 0 CCADLP C[C@H]1C[NH+](CCCNC(=O)CCc2[nH]cc[nH+]2)C[C@H](C)O1 ZINC000279200190 194329292 /nfs/dbraw/zinc/32/92/92/194329292.db2.gz MOPFAKJPVLTSEK-STQMWFEESA-N 2 2 294.399 0.958 20 0 CCADLP C[C@@H]1CN(C(=O)NCCc2cn3ccccc3[nH+]2)CC[NH2+]1 ZINC000334889642 207250624 /nfs/dbraw/zinc/25/06/24/207250624.db2.gz FVUZRAVOGGWRTI-GFCCVEGCSA-N 2 2 287.367 0.880 20 0 CCADLP C[NH+]1CCN(CCC[NH2+]Cc2nnn(C(C)(C)C)n2)CC1 ZINC000657295681 412953964 /nfs/dbraw/zinc/95/39/64/412953964.db2.gz IKDFGHOQODCHHB-UHFFFAOYSA-N 2 2 295.435 0.155 20 0 CCADLP C[NH2+][C@H]1CCN(C(=O)[C@H]([NH3+])c2c(F)cccc2F)C1 ZINC000334950952 207343064 /nfs/dbraw/zinc/34/30/64/207343064.db2.gz ORMKBIDLJDDUPV-QPUJVOFHSA-N 2 2 269.295 0.785 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]([NH3+])c2c(F)cccc2F)CC[NH2+]1 ZINC000334956692 207355218 /nfs/dbraw/zinc/35/52/18/207355218.db2.gz ZUVFBURTBWRWFD-UFBFGSQYSA-N 2 2 269.295 0.785 20 0 CCADLP CN(C)C(=O)CCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657332622 412961422 /nfs/dbraw/zinc/96/14/22/412961422.db2.gz MCSUDNPLZDZCNK-UHFFFAOYSA-N 2 2 250.346 0.787 20 0 CCADLP C[NH2+][C@H](CC(C)(C)C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000449116082 533005799 /nfs/dbraw/zinc/00/57/99/533005799.db2.gz OGZOTQGAZFRAIB-CYBMUJFWSA-N 2 2 285.432 0.801 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCOCC2)[C@@H](C)C1 ZINC000247261483 285046153 /nfs/dbraw/zinc/04/61/53/285046153.db2.gz VKGUBMAJZAZGGC-UONOGXRCSA-N 2 2 283.416 0.507 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCOCC2)[C@@H](C)C1 ZINC000247261483 285046154 /nfs/dbraw/zinc/04/61/54/285046154.db2.gz VKGUBMAJZAZGGC-UONOGXRCSA-N 2 2 283.416 0.507 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCOCC2)[C@@H](C)C1 ZINC000247261483 285046155 /nfs/dbraw/zinc/04/61/55/285046155.db2.gz VKGUBMAJZAZGGC-UONOGXRCSA-N 2 2 283.416 0.507 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCOCC2)[C@@H](C)C1 ZINC000247261483 285046156 /nfs/dbraw/zinc/04/61/56/285046156.db2.gz VKGUBMAJZAZGGC-UONOGXRCSA-N 2 2 283.416 0.507 20 0 CCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000571803302 291838935 /nfs/dbraw/zinc/83/89/35/291838935.db2.gz YDKHFUYYOKIAIM-WFASDCNBSA-N 2 2 297.399 0.224 20 0 CCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@@H]1CCCC[NH2+]1 ZINC000335283773 208099957 /nfs/dbraw/zinc/09/99/57/208099957.db2.gz SYPKWMJSWYVIPW-UWVGGRQHSA-N 2 2 261.316 0.490 20 0 CCADLP C[C@@]1(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)CC[NH2+]C1 ZINC000335283709 208098143 /nfs/dbraw/zinc/09/81/43/208098143.db2.gz PQMGQKHIDVIYBB-MWLCHTKSSA-N 2 2 261.316 0.347 20 0 CCADLP CC[NH2+]CCCNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000571896143 291844783 /nfs/dbraw/zinc/84/47/83/291844783.db2.gz YQWCCDZATIBUQT-OLZOCXBDSA-N 2 2 286.420 0.394 20 0 CCADLP OCC[C@@]1(C[NH2+]Cc2c[nH+]c3n2CCC3)CCOC1 ZINC000657397378 412981537 /nfs/dbraw/zinc/98/15/37/412981537.db2.gz BICNLHAFCWWTFK-AWEZNQCLSA-N 2 2 265.357 0.708 20 0 CCADLP Cn1nccc1C1=CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)CC1 ZINC000289344539 197304955 /nfs/dbraw/zinc/30/49/55/197304955.db2.gz GIGCKOBRAJMNSA-HNNXBMFYSA-N 2 2 290.411 0.964 20 0 CCADLP Cn1nccc1C1=CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)CC1 ZINC000289344539 197304957 /nfs/dbraw/zinc/30/49/57/197304957.db2.gz GIGCKOBRAJMNSA-HNNXBMFYSA-N 2 2 290.411 0.964 20 0 CCADLP Cn1nccc1C1=CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000289344539 197304958 /nfs/dbraw/zinc/30/49/58/197304958.db2.gz GIGCKOBRAJMNSA-HNNXBMFYSA-N 2 2 290.411 0.964 20 0 CCADLP Cn1nccc1C1=CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000289344539 197304960 /nfs/dbraw/zinc/30/49/60/197304960.db2.gz GIGCKOBRAJMNSA-HNNXBMFYSA-N 2 2 290.411 0.964 20 0 CCADLP CC(C)COC[C@@H](O)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000572276809 291869212 /nfs/dbraw/zinc/86/92/12/291869212.db2.gz KJUFTHXNYMCYCB-OLZOCXBDSA-N 2 2 267.373 0.821 20 0 CCADLP CCN(C)C(=O)[C@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657446098 412993451 /nfs/dbraw/zinc/99/34/51/412993451.db2.gz NMULROGRWWDHIC-JTQLQIEISA-N 2 2 250.346 0.786 20 0 CCADLP C[C@@H]([NH3+])CCNc1cc(N2CCOCC2)nc[nH+]1 ZINC000258567094 285152335 /nfs/dbraw/zinc/15/23/35/285152335.db2.gz CKYQBCYMANUNET-SNVBAGLBSA-N 2 2 251.334 0.462 20 0 CCADLP C[C@@H]([NH3+])CCNc1cc(N2CCOCC2)[nH+]cn1 ZINC000258567094 285152336 /nfs/dbraw/zinc/15/23/36/285152336.db2.gz CKYQBCYMANUNET-SNVBAGLBSA-N 2 2 251.334 0.462 20 0 CCADLP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000305171041 285170153 /nfs/dbraw/zinc/17/01/53/285170153.db2.gz ZSWVCGPFDAWTMT-GXTWGEPZSA-N 2 2 278.400 0.844 20 0 CCADLP COC[C@@H](C)[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000367310063 285204549 /nfs/dbraw/zinc/20/45/49/285204549.db2.gz LUDYYLTUZKFAPH-YPMHNXCESA-N 2 2 269.389 0.435 20 0 CCADLP COC[C@@H](C)[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000367310063 285204553 /nfs/dbraw/zinc/20/45/53/285204553.db2.gz LUDYYLTUZKFAPH-YPMHNXCESA-N 2 2 269.389 0.435 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CC(C)(C)[C@]2(O)CCOC2)n1C ZINC000657498959 413010809 /nfs/dbraw/zinc/01/08/09/413010809.db2.gz PLKLJUSMDGBTEL-AWEZNQCLSA-N 2 2 267.373 0.996 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)CC1 ZINC000395354962 285224996 /nfs/dbraw/zinc/22/49/96/285224996.db2.gz HASKKEDGABHBRT-CYBMUJFWSA-N 2 2 283.416 0.243 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](O)CC(C)(C)C2)CC1 ZINC000395354962 285225000 /nfs/dbraw/zinc/22/50/00/285225000.db2.gz HASKKEDGABHBRT-CYBMUJFWSA-N 2 2 283.416 0.243 20 0 CCADLP COC[C@@H](CC[NH2+]Cc1c[nH+]c(N(C)C)n1C)OC ZINC000657553279 413022434 /nfs/dbraw/zinc/02/24/34/413022434.db2.gz JERFYTCVLRLQNI-GFCCVEGCSA-N 2 2 270.377 0.627 20 0 CCADLP CC[N@@H+]1CCC[C@H](NC[C@H](O)C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000516175851 285268531 /nfs/dbraw/zinc/26/85/31/285268531.db2.gz WCWUPYGPBRHDRR-FZKCQIBNSA-N 2 2 299.459 0.530 20 0 CCADLP CC[N@H+]1CCC[C@H](NC[C@H](O)C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000516175851 285268532 /nfs/dbraw/zinc/26/85/32/285268532.db2.gz WCWUPYGPBRHDRR-FZKCQIBNSA-N 2 2 299.459 0.530 20 0 CCADLP CC[NH+]1CCC[C@H](NC[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000516175851 285268533 /nfs/dbraw/zinc/26/85/33/285268533.db2.gz WCWUPYGPBRHDRR-FZKCQIBNSA-N 2 2 299.459 0.530 20 0 CCADLP CC[NH+]1CCC[C@H](NC[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000516175851 285268535 /nfs/dbraw/zinc/26/85/35/285268535.db2.gz WCWUPYGPBRHDRR-FZKCQIBNSA-N 2 2 299.459 0.530 20 0 CCADLP O[C@H](C[NH2+]Cc1c[nH+]c2n1CCCC2)Cn1cccn1 ZINC000520799931 285271444 /nfs/dbraw/zinc/27/14/44/285271444.db2.gz ZPZWZHZDQNQBIP-CYBMUJFWSA-N 2 2 275.356 0.567 20 0 CCADLP COC(=O)C1(C[NH2+]Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000425337485 533214252 /nfs/dbraw/zinc/21/42/52/533214252.db2.gz MZJIURGXBSPWRG-UHFFFAOYSA-N 2 2 266.345 0.529 20 0 CCADLP CCN1CC[NH+](CCC(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000352011669 285315519 /nfs/dbraw/zinc/31/55/19/285315519.db2.gz CFNIYTJIRPXTDE-HUUCEWRRSA-N 2 2 296.459 0.565 20 0 CCADLP CCN1CC[NH+](CCC(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000352011669 285315520 /nfs/dbraw/zinc/31/55/20/285315520.db2.gz CFNIYTJIRPXTDE-HUUCEWRRSA-N 2 2 296.459 0.565 20 0 CCADLP CC[C@]1(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CCC[NH2+]1 ZINC000184158712 388770307 /nfs/dbraw/zinc/77/03/07/388770307.db2.gz FZCUYMJNJVISQA-OAHLLOKOSA-N 2 2 283.416 0.746 20 0 CCADLP CC[C@]1(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CCC[NH2+]1 ZINC000184158712 388770311 /nfs/dbraw/zinc/77/03/11/388770311.db2.gz FZCUYMJNJVISQA-OAHLLOKOSA-N 2 2 283.416 0.746 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]Cc1cccc2c1OCCO2 ZINC000184547268 388775593 /nfs/dbraw/zinc/77/55/93/388775593.db2.gz IKNXWRXUWLRPFU-UHFFFAOYSA-N 2 2 280.368 0.862 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]Cc1cccc2c1OCCO2 ZINC000184547268 388775595 /nfs/dbraw/zinc/77/55/95/388775595.db2.gz IKNXWRXUWLRPFU-UHFFFAOYSA-N 2 2 280.368 0.862 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000011954083 388777332 /nfs/dbraw/zinc/77/73/32/388777332.db2.gz BWUBZORCTYLAQN-RYUDHWBXSA-N 2 2 271.405 0.587 20 0 CCADLP CC(C)(CNC(=O)C1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000011955380 388777641 /nfs/dbraw/zinc/77/76/41/388777641.db2.gz MXZVCNCJRLBAIP-UHFFFAOYSA-N 2 2 269.389 0.213 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000040598865 388853475 /nfs/dbraw/zinc/85/34/75/388853475.db2.gz XORSBTUXBXWZGM-STQMWFEESA-N 2 2 269.389 0.213 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H]2CCCO2)C1 ZINC000040598865 388853479 /nfs/dbraw/zinc/85/34/79/388853479.db2.gz XORSBTUXBXWZGM-STQMWFEESA-N 2 2 269.389 0.213 20 0 CCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)CCc1[nH]cc[nH+]1 ZINC000288401132 388861870 /nfs/dbraw/zinc/86/18/70/388861870.db2.gz ZJGIHOROKLWODK-UHFFFAOYSA-N 2 2 294.399 0.912 20 0 CCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)CCc1[nH]cc[nH+]1 ZINC000288401132 388861874 /nfs/dbraw/zinc/86/18/74/388861874.db2.gz ZJGIHOROKLWODK-UHFFFAOYSA-N 2 2 294.399 0.912 20 0 CCADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(S(N)(=O)=O)cc1 ZINC000041119549 388862027 /nfs/dbraw/zinc/86/20/27/388862027.db2.gz TWVIVCKKLIIXFL-NSHDSACASA-N 2 2 294.380 0.881 20 0 CCADLP CC[C@H](C(N)=O)[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000289293706 388868012 /nfs/dbraw/zinc/86/80/12/388868012.db2.gz HLIFKXIKXXVUIC-NWDGAFQWSA-N 2 2 292.383 0.865 20 0 CCADLP CC[C@H](C(N)=O)[N@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000289293706 388868016 /nfs/dbraw/zinc/86/80/16/388868016.db2.gz HLIFKXIKXXVUIC-NWDGAFQWSA-N 2 2 292.383 0.865 20 0 CCADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000289293709 388868324 /nfs/dbraw/zinc/86/83/24/388868324.db2.gz HLIFKXIKXXVUIC-RYUDHWBXSA-N 2 2 292.383 0.865 20 0 CCADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000289293709 388868327 /nfs/dbraw/zinc/86/83/27/388868327.db2.gz HLIFKXIKXXVUIC-RYUDHWBXSA-N 2 2 292.383 0.865 20 0 CCADLP C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402255 388868904 /nfs/dbraw/zinc/86/89/04/388868904.db2.gz HNCGCNIUKUONCL-DTWKUNHWSA-N 2 2 281.360 0.349 20 0 CCADLP C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402255 388868909 /nfs/dbraw/zinc/86/89/09/388868909.db2.gz HNCGCNIUKUONCL-DTWKUNHWSA-N 2 2 281.360 0.349 20 0 CCADLP COCC[NH+]1CCN(C(=O)c2coc(C[NH3+])c2)CC1 ZINC000188047412 388910731 /nfs/dbraw/zinc/91/07/31/388910731.db2.gz OYEMLQGUJGYJBZ-UHFFFAOYSA-N 2 2 267.329 0.143 20 0 CCADLP [NH3+]Cc1cc(C(=O)NCCCC[NH+]2CCOCC2)co1 ZINC000188078040 388912329 /nfs/dbraw/zinc/91/23/29/388912329.db2.gz GWWXZVQDUOGDIQ-UHFFFAOYSA-N 2 2 281.356 0.581 20 0 CCADLP CN(CC[N@H+](C)C1CC1)C(=O)NCc1c[nH+]cn1C ZINC000292259793 388946487 /nfs/dbraw/zinc/94/64/87/388946487.db2.gz HXKZIWNXQPQMHZ-UHFFFAOYSA-N 2 2 265.361 0.656 20 0 CCADLP CN(CC[N@@H+](C)C1CC1)C(=O)NCc1c[nH+]cn1C ZINC000292259793 388946490 /nfs/dbraw/zinc/94/64/90/388946490.db2.gz HXKZIWNXQPQMHZ-UHFFFAOYSA-N 2 2 265.361 0.656 20 0 CCADLP C[N@H+](CC(=O)NCC(F)(F)C[NH3+])Cc1ccccc1 ZINC000190199824 388985252 /nfs/dbraw/zinc/98/52/52/388985252.db2.gz WYQUUAJHXWRVIZ-UHFFFAOYSA-N 2 2 271.311 0.829 20 0 CCADLP C[N@@H+](CC(=O)NCC(F)(F)C[NH3+])Cc1ccccc1 ZINC000190199824 388985254 /nfs/dbraw/zinc/98/52/54/388985254.db2.gz WYQUUAJHXWRVIZ-UHFFFAOYSA-N 2 2 271.311 0.829 20 0 CCADLP COCC[N@@H+]1CC[C@H](N[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000336893976 389028504 /nfs/dbraw/zinc/02/85/04/389028504.db2.gz LIQGYNZJBSDKED-RDBSUJKOSA-N 2 2 255.406 0.637 20 0 CCADLP COCC[N@H+]1CC[C@H](N[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000336893976 389028510 /nfs/dbraw/zinc/02/85/10/389028510.db2.gz LIQGYNZJBSDKED-RDBSUJKOSA-N 2 2 255.406 0.637 20 0 CCADLP COCC[NH+]1CC[C@H](N[C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000336893976 389028515 /nfs/dbraw/zinc/02/85/15/389028515.db2.gz LIQGYNZJBSDKED-RDBSUJKOSA-N 2 2 255.406 0.637 20 0 CCADLP COCC[NH+]1CC[C@H](N[C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000336893976 389028521 /nfs/dbraw/zinc/02/85/21/389028521.db2.gz LIQGYNZJBSDKED-RDBSUJKOSA-N 2 2 255.406 0.637 20 0 CCADLP COC(=O)C[C@@H]1CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000298385557 389016667 /nfs/dbraw/zinc/01/66/67/389016667.db2.gz LDYLKYDXLJJPHW-NSHDSACASA-N 2 2 251.330 0.990 20 0 CCADLP COC(=O)C[C@@H]1CCC[N@H+]1CCc1c[nH+]cn1C ZINC000298385557 389016669 /nfs/dbraw/zinc/01/66/69/389016669.db2.gz LDYLKYDXLJJPHW-NSHDSACASA-N 2 2 251.330 0.990 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ccn(C)n1 ZINC000336826752 389026748 /nfs/dbraw/zinc/02/67/48/389026748.db2.gz UXZHQIORMQKULL-UHFFFAOYSA-N 2 2 279.432 0.878 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ccn(C)n1 ZINC000336826752 389026749 /nfs/dbraw/zinc/02/67/49/389026749.db2.gz UXZHQIORMQKULL-UHFFFAOYSA-N 2 2 279.432 0.878 20 0 CCADLP C[C@H](CNc1cc[nH+]cc1C(N)=O)C[NH+]1CCOCC1 ZINC000302235080 389066676 /nfs/dbraw/zinc/06/66/76/389066676.db2.gz UPOPPRQAZQYCCC-LLVKDONJSA-N 2 2 278.356 0.561 20 0 CCADLP CCn1ncnc1C[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000193340183 389066740 /nfs/dbraw/zinc/06/67/40/389066740.db2.gz ZBZDHJWMKULLEN-AWEZNQCLSA-N 2 2 292.431 0.510 20 0 CCADLP CCn1ncnc1C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000193340183 389066743 /nfs/dbraw/zinc/06/67/43/389066743.db2.gz ZBZDHJWMKULLEN-AWEZNQCLSA-N 2 2 292.431 0.510 20 0 CCADLP Cc1nc(N2CC[N@H+](CCO)[C@H](C)C2)c(C)c(C)[nH+]1 ZINC000302416166 389069755 /nfs/dbraw/zinc/06/97/55/389069755.db2.gz MEZJFUUHMRHELP-SNVBAGLBSA-N 2 2 264.373 0.905 20 0 CCADLP Cc1nc(N2CC[N@@H+](CCO)[C@H](C)C2)c(C)c(C)[nH+]1 ZINC000302416166 389069757 /nfs/dbraw/zinc/06/97/57/389069757.db2.gz MEZJFUUHMRHELP-SNVBAGLBSA-N 2 2 264.373 0.905 20 0 CCADLP C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000338164298 389081921 /nfs/dbraw/zinc/08/19/21/389081921.db2.gz TUIWTLHBOTYBEJ-LBPRGKRZSA-N 2 2 269.389 0.165 20 0 CCADLP C[N@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000338164298 389081922 /nfs/dbraw/zinc/08/19/22/389081922.db2.gz TUIWTLHBOTYBEJ-LBPRGKRZSA-N 2 2 269.389 0.165 20 0 CCADLP C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000338164297 389082051 /nfs/dbraw/zinc/08/20/51/389082051.db2.gz TUIWTLHBOTYBEJ-GFCCVEGCSA-N 2 2 269.389 0.165 20 0 CCADLP C[N@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000338164297 389082055 /nfs/dbraw/zinc/08/20/55/389082055.db2.gz TUIWTLHBOTYBEJ-GFCCVEGCSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCOCC2)CC[N@H+]1C ZINC000338174504 389084075 /nfs/dbraw/zinc/08/40/75/389084075.db2.gz LXQJIFWINJLQKQ-OLZOCXBDSA-N 2 2 283.416 0.696 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]C[C@@H]2CCCN2S(C)(=O)=O)[C@@H](C)C1 ZINC000338213017 389091569 /nfs/dbraw/zinc/09/15/69/389091569.db2.gz KNABWUQMASVHBJ-AVGNSLFASA-N 2 2 289.445 0.340 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]C[C@@H]2CCCN2S(C)(=O)=O)[C@@H](C)C1 ZINC000338213017 389091570 /nfs/dbraw/zinc/09/15/70/389091570.db2.gz KNABWUQMASVHBJ-AVGNSLFASA-N 2 2 289.445 0.340 20 0 CCADLP O=C(NCCCC[NH+]1CCOCC1)NCCn1cc[nH+]c1 ZINC000298668000 389038592 /nfs/dbraw/zinc/03/85/92/389038592.db2.gz UPNPPAKPPIKJQD-UHFFFAOYSA-N 2 2 295.387 0.295 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[NH+](C)CC1 ZINC000298669079 389038896 /nfs/dbraw/zinc/03/88/96/389038896.db2.gz IIQNZFFLHHGFIH-NSHDSACASA-N 2 2 251.334 0.229 20 0 CCADLP O=C(NCCn1cc[nH+]c1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000298670813 389039040 /nfs/dbraw/zinc/03/90/40/389039040.db2.gz VLIZPIUPOTVIKD-QWHCGFSZSA-N 2 2 277.372 0.809 20 0 CCADLP O=C(NCCn1cc[nH+]c1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000298670813 389039047 /nfs/dbraw/zinc/03/90/47/389039047.db2.gz VLIZPIUPOTVIKD-QWHCGFSZSA-N 2 2 277.372 0.809 20 0 CCADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000358235475 389144614 /nfs/dbraw/zinc/14/46/14/389144614.db2.gz IJDHZTCEEKBMNP-RUZUBIRVSA-N 2 2 265.401 0.973 20 0 CCADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000358235475 389144617 /nfs/dbraw/zinc/14/46/17/389144617.db2.gz IJDHZTCEEKBMNP-RUZUBIRVSA-N 2 2 265.401 0.973 20 0 CCADLP CCC[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)OC ZINC000338238592 389095183 /nfs/dbraw/zinc/09/51/83/389095183.db2.gz OARWHSSJLQBABJ-UHFFFAOYSA-N 2 2 285.388 0.036 20 0 CCADLP CCC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)OC ZINC000338238592 389095186 /nfs/dbraw/zinc/09/51/86/389095186.db2.gz OARWHSSJLQBABJ-UHFFFAOYSA-N 2 2 285.388 0.036 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000106912952 389095516 /nfs/dbraw/zinc/09/55/16/389095516.db2.gz IVXDFZJLGMDMCK-NWDGAFQWSA-N 2 2 257.378 0.019 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000106912952 389095519 /nfs/dbraw/zinc/09/55/19/389095519.db2.gz IVXDFZJLGMDMCK-NWDGAFQWSA-N 2 2 257.378 0.019 20 0 CCADLP CCC[C@@H](C)NC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577248 389097030 /nfs/dbraw/zinc/09/70/30/389097030.db2.gz BIZWBJZPMGJTAT-LPWJVIDDSA-N 2 2 253.390 0.831 20 0 CCADLP CCC[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577248 389097033 /nfs/dbraw/zinc/09/70/33/389097033.db2.gz BIZWBJZPMGJTAT-LPWJVIDDSA-N 2 2 253.390 0.831 20 0 CCADLP COc1ccncc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000312933480 389109716 /nfs/dbraw/zinc/10/97/16/389109716.db2.gz GCNSJROBDNUHMV-AWEZNQCLSA-N 2 2 276.384 0.570 20 0 CCADLP CCCCNC(=O)[C@H](C)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313348270 389113240 /nfs/dbraw/zinc/11/32/40/389113240.db2.gz KWVLXKLGFDVBLQ-NWDGAFQWSA-N 2 2 257.378 0.341 20 0 CCADLP CCCCNC(=O)[C@H](C)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313348270 389113242 /nfs/dbraw/zinc/11/32/42/389113242.db2.gz KWVLXKLGFDVBLQ-NWDGAFQWSA-N 2 2 257.378 0.341 20 0 CCADLP Cc1nc(N2C[C@@H](C)[NH+](C)[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000338796843 389116615 /nfs/dbraw/zinc/11/66/15/389116615.db2.gz WMPGNZKSKDRSTC-NXEZZACHSA-N 2 2 264.377 0.775 20 0 CCADLP CCN(CCC[NH+](C)C)C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000338896329 389118711 /nfs/dbraw/zinc/11/87/11/389118711.db2.gz XXNQOXQJYJTDND-CQSZACIVSA-N 2 2 284.448 0.423 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCOC[C@@H]2CC2CCC2)CC1 ZINC000339779057 389139766 /nfs/dbraw/zinc/13/97/66/389139766.db2.gz PZWDHUQAIXZJRR-HNNXBMFYSA-N 2 2 295.427 0.651 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCOC[C@@H]2CC2CCC2)CC1 ZINC000339779057 389139767 /nfs/dbraw/zinc/13/97/67/389139767.db2.gz PZWDHUQAIXZJRR-HNNXBMFYSA-N 2 2 295.427 0.651 20 0 CCADLP COC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C1CC1 ZINC000360895731 389205746 /nfs/dbraw/zinc/20/57/46/389205746.db2.gz ZVVYHUIRTFGQTA-CABCVRRESA-N 2 2 297.443 0.944 20 0 CCADLP COC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)C1CC1 ZINC000360895731 389205750 /nfs/dbraw/zinc/20/57/50/389205750.db2.gz ZVVYHUIRTFGQTA-CABCVRRESA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H](C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)CS(C)(=O)=O ZINC000360559600 389200009 /nfs/dbraw/zinc/20/00/09/389200009.db2.gz CDOZKQWHSQENGB-RYUDHWBXSA-N 2 2 260.403 0.353 20 0 CCADLP C[C@@H](C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)CS(C)(=O)=O ZINC000360559600 389200012 /nfs/dbraw/zinc/20/00/12/389200012.db2.gz CDOZKQWHSQENGB-RYUDHWBXSA-N 2 2 260.403 0.353 20 0 CCADLP Cc1cccc(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000122566536 389152444 /nfs/dbraw/zinc/15/24/44/389152444.db2.gz JRWUNRXQGHQAQU-CQSZACIVSA-N 2 2 261.369 0.639 20 0 CCADLP Cc1cccc(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000122566536 389152445 /nfs/dbraw/zinc/15/24/45/389152445.db2.gz JRWUNRXQGHQAQU-CQSZACIVSA-N 2 2 261.369 0.639 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123953826 389158730 /nfs/dbraw/zinc/15/87/30/389158730.db2.gz YNOMNFSAJOFNQG-GHMZBOCLSA-N 2 2 270.377 0.247 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123953826 389158732 /nfs/dbraw/zinc/15/87/32/389158732.db2.gz YNOMNFSAJOFNQG-GHMZBOCLSA-N 2 2 270.377 0.247 20 0 CCADLP CCNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123953826 389158734 /nfs/dbraw/zinc/15/87/34/389158734.db2.gz YNOMNFSAJOFNQG-GHMZBOCLSA-N 2 2 270.377 0.247 20 0 CCADLP CCNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123953826 389158736 /nfs/dbraw/zinc/15/87/36/389158736.db2.gz YNOMNFSAJOFNQG-GHMZBOCLSA-N 2 2 270.377 0.247 20 0 CCADLP CO[C@@H]1CC[N@H+](CCCN2CCOCC2)[C@@H](C[NH3+])C1 ZINC000359052173 389166173 /nfs/dbraw/zinc/16/61/73/389166173.db2.gz FTOZPZOXCLZMTP-ZIAGYGMSSA-N 2 2 271.405 0.147 20 0 CCADLP CO[C@@H]1CC[N@@H+](CCCN2CCOCC2)[C@@H](C[NH3+])C1 ZINC000359052173 389166175 /nfs/dbraw/zinc/16/61/75/389166175.db2.gz FTOZPZOXCLZMTP-ZIAGYGMSSA-N 2 2 271.405 0.147 20 0 CCADLP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000360833134 389204787 /nfs/dbraw/zinc/20/47/87/389204787.db2.gz MEBLIBXHLZZHNE-OUAUKWLOSA-N 2 2 273.327 0.679 20 0 CCADLP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000360833134 389204789 /nfs/dbraw/zinc/20/47/89/389204789.db2.gz MEBLIBXHLZZHNE-OUAUKWLOSA-N 2 2 273.327 0.679 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000342698687 389243811 /nfs/dbraw/zinc/24/38/11/389243811.db2.gz HJIXHYBGTHHXJT-GHMZBOCLSA-N 2 2 291.342 0.068 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000342721263 389248554 /nfs/dbraw/zinc/24/85/54/389248554.db2.gz YWGADNKKMCKXLC-WDEREUQCSA-N 2 2 291.342 0.068 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000342721263 389248555 /nfs/dbraw/zinc/24/85/55/389248555.db2.gz YWGADNKKMCKXLC-WDEREUQCSA-N 2 2 291.342 0.068 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000342814131 389253747 /nfs/dbraw/zinc/25/37/47/389253747.db2.gz WALFALQCURKYPJ-GASQSECBSA-N 2 2 251.374 0.583 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000342814131 389253748 /nfs/dbraw/zinc/25/37/48/389253748.db2.gz WALFALQCURKYPJ-GASQSECBSA-N 2 2 251.374 0.583 20 0 CCADLP CC[C@@]1(C)C[N@H+](CC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000135642766 389260975 /nfs/dbraw/zinc/26/09/75/389260975.db2.gz LIPKUAUIJXIFMY-AWEZNQCLSA-N 2 2 269.389 0.261 20 0 CCADLP CC[C@@]1(C)C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000135642766 389260977 /nfs/dbraw/zinc/26/09/77/389260977.db2.gz LIPKUAUIJXIFMY-AWEZNQCLSA-N 2 2 269.389 0.261 20 0 CCADLP CC[N@H+](C)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364410732 389262874 /nfs/dbraw/zinc/26/28/74/389262874.db2.gz JNWXMJLNGPLDPY-NSHDSACASA-N 2 2 250.346 0.513 20 0 CCADLP CC[N@@H+](C)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364410732 389262875 /nfs/dbraw/zinc/26/28/75/389262875.db2.gz JNWXMJLNGPLDPY-NSHDSACASA-N 2 2 250.346 0.513 20 0 CCADLP C[C@H](C(=O)N1CC[NH+](C2CC2)CC1)[NH+]1CCSCC1 ZINC000131526821 389214370 /nfs/dbraw/zinc/21/43/70/389214370.db2.gz VSVZXDJRNPRYKI-GFCCVEGCSA-N 2 2 283.441 0.730 20 0 CCADLP [NH3+]C1(CNC(=O)Cc2cn3ccccc3[nH+]2)CCC1 ZINC000342612371 389229932 /nfs/dbraw/zinc/22/99/32/389229932.db2.gz WVKSPZYZMWZULZ-UHFFFAOYSA-N 2 2 258.325 0.874 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCO[C@H]3CCC[C@H]32)CC1 ZINC000366786791 389310076 /nfs/dbraw/zinc/31/00/76/389310076.db2.gz KCLFVNJWDHBUCX-OLZOCXBDSA-N 2 2 267.373 0.014 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCO[C@H]3CCC[C@H]32)CC1 ZINC000366786791 389310079 /nfs/dbraw/zinc/31/00/79/389310079.db2.gz KCLFVNJWDHBUCX-OLZOCXBDSA-N 2 2 267.373 0.014 20 0 CCADLP CC[C@@H](COC)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000155352412 389318455 /nfs/dbraw/zinc/31/84/55/389318455.db2.gz MATMYCUFWMCHCQ-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP CC[C@@H](COC)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000155352412 389318457 /nfs/dbraw/zinc/31/84/57/389318457.db2.gz MATMYCUFWMCHCQ-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP C[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000261652289 389273700 /nfs/dbraw/zinc/27/37/00/389273700.db2.gz BCRCWFRQSOBDAY-WBVHZDCISA-N 3 2 294.487 0.944 20 0 CCADLP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000261652289 389273704 /nfs/dbraw/zinc/27/37/04/389273704.db2.gz BCRCWFRQSOBDAY-WBVHZDCISA-N 3 2 294.487 0.944 20 0 CCADLP CO[C@@H](C)c1noc(C[N@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000521437100 262337937 /nfs/dbraw/zinc/33/79/37/262337937.db2.gz VIYPEZHIXUMSGN-NSHDSACASA-N 2 2 283.376 0.114 20 0 CCADLP CO[C@@H](C)c1noc(C[N@@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000521437100 262337939 /nfs/dbraw/zinc/33/79/39/262337939.db2.gz VIYPEZHIXUMSGN-NSHDSACASA-N 2 2 283.376 0.114 20 0 CCADLP CN(C(=O)c1ccn[nH]1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370838491 389418123 /nfs/dbraw/zinc/41/81/23/389418123.db2.gz LOJXQXQUCMWWHW-ZDUSSCGKSA-N 2 2 291.399 0.650 20 0 CCADLP CN(C(=O)c1ccn[nH]1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370838491 389418125 /nfs/dbraw/zinc/41/81/25/389418125.db2.gz LOJXQXQUCMWWHW-ZDUSSCGKSA-N 2 2 291.399 0.650 20 0 CCADLP CN(C(=O)c1cc[nH]n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370838491 389418127 /nfs/dbraw/zinc/41/81/27/389418127.db2.gz LOJXQXQUCMWWHW-ZDUSSCGKSA-N 2 2 291.399 0.650 20 0 CCADLP CN(C(=O)c1cc[nH]n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370838491 389418129 /nfs/dbraw/zinc/41/81/29/389418129.db2.gz LOJXQXQUCMWWHW-ZDUSSCGKSA-N 2 2 291.399 0.650 20 0 CCADLP C[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000333009058 389401811 /nfs/dbraw/zinc/40/18/11/389401811.db2.gz TVGYNTUVAQTOKJ-CHWSQXEVSA-N 2 2 291.399 0.791 20 0 CCADLP CCC[C@@H](C(=O)NCC[N@@H+]1CCO[C@@H](CC)C1)[NH+](C)C ZINC000347646736 389355813 /nfs/dbraw/zinc/35/58/13/389355813.db2.gz DWFKZPNHAXRTQP-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP CCC[C@@H](C(=O)NCC[N@H+]1CCO[C@@H](CC)C1)[NH+](C)C ZINC000347646736 389355816 /nfs/dbraw/zinc/35/58/16/389355816.db2.gz DWFKZPNHAXRTQP-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1CC[C@H](C(N)=O)CC1 ZINC000421364175 389360349 /nfs/dbraw/zinc/36/03/49/389360349.db2.gz RKWXRGGZGIMVGR-LPWJVIDDSA-N 2 2 253.390 0.818 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1CC[C@H](C(N)=O)CC1 ZINC000421364175 389360354 /nfs/dbraw/zinc/36/03/54/389360354.db2.gz RKWXRGGZGIMVGR-LPWJVIDDSA-N 2 2 253.390 0.818 20 0 CCADLP CC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000348143783 389366009 /nfs/dbraw/zinc/36/60/09/389366009.db2.gz AFGFDEUFRXQQOY-OLZOCXBDSA-N 2 2 253.390 0.929 20 0 CCADLP CNS(=O)(=O)c1cccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000422728860 389461543 /nfs/dbraw/zinc/46/15/43/389461543.db2.gz AYLXEODCSZRPSD-FZMZJTMJSA-N 2 2 297.424 0.682 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCCC[NH2+]C ZINC000422736131 389462608 /nfs/dbraw/zinc/46/26/08/389462608.db2.gz XHOVRFNNZSJUKE-LBPRGKRZSA-N 2 2 257.378 0.213 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCCC[NH2+]C ZINC000422736131 389462611 /nfs/dbraw/zinc/46/26/11/389462611.db2.gz XHOVRFNNZSJUKE-LBPRGKRZSA-N 2 2 257.378 0.213 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000422746932 389466447 /nfs/dbraw/zinc/46/64/47/389466447.db2.gz XOJWBUHAMISSQJ-GDBMZVCRSA-N 3 2 282.476 0.848 20 0 CCADLP C[NH2+][C@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000422755901 389467744 /nfs/dbraw/zinc/46/77/44/389467744.db2.gz BZWQVPNTALHQKB-ZFWWWQNUSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH2+][C@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000422755901 389467748 /nfs/dbraw/zinc/46/77/48/389467748.db2.gz BZWQVPNTALHQKB-ZFWWWQNUSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000171003271 389469951 /nfs/dbraw/zinc/46/99/51/389469951.db2.gz BPVAPVVAAGXVJA-UHFFFAOYSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+]1CCC(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000171003271 389469953 /nfs/dbraw/zinc/46/99/53/389469953.db2.gz BPVAPVVAAGXVJA-UHFFFAOYSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422763118 389470515 /nfs/dbraw/zinc/47/05/15/389470515.db2.gz OONBGYBPNXVPDG-ZFWWWQNUSA-N 3 2 269.433 0.953 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000422770936 389471414 /nfs/dbraw/zinc/47/14/14/389471414.db2.gz QTTVXPGBGRJEHV-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000422770936 389471420 /nfs/dbraw/zinc/47/14/20/389471420.db2.gz QTTVXPGBGRJEHV-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000422777524 389472624 /nfs/dbraw/zinc/47/26/24/389472624.db2.gz FQJUDEGDEVKCCT-UMVBOHGHSA-N 2 2 277.416 0.977 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1NCCC[NH+]1CCC(C)CC1 ZINC000422783634 389474521 /nfs/dbraw/zinc/47/45/21/389474521.db2.gz NEDZAHCJXMDOAW-GJZGRUSLSA-N 2 2 297.443 0.992 20 0 CCADLP [NH3+]C[C@@H](NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1)C1CC1 ZINC000422863869 389495097 /nfs/dbraw/zinc/49/50/97/389495097.db2.gz SPNBYAFGNJTJRY-KGLIPLIRSA-N 2 2 281.400 0.341 20 0 CCADLP [NH3+]C[C@@H](NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1)C1CC1 ZINC000422863869 389495100 /nfs/dbraw/zinc/49/51/00/389495100.db2.gz SPNBYAFGNJTJRY-KGLIPLIRSA-N 2 2 281.400 0.341 20 0 CCADLP COCC[N@H+](C)CCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422845867 389489316 /nfs/dbraw/zinc/48/93/16/389489316.db2.gz OYIVECVEENGTOH-LSDHHAIUSA-N 3 2 285.432 0.311 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422845867 389489318 /nfs/dbraw/zinc/48/93/18/389489318.db2.gz OYIVECVEENGTOH-LSDHHAIUSA-N 3 2 285.432 0.311 20 0 CCADLP COCC[N@H+](C)CCC[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422846356 389491090 /nfs/dbraw/zinc/49/10/90/389491090.db2.gz PQIXDSOIGZCNLB-ZIAGYGMSSA-N 3 2 273.421 0.311 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422846356 389491094 /nfs/dbraw/zinc/49/10/94/389491094.db2.gz PQIXDSOIGZCNLB-ZIAGYGMSSA-N 3 2 273.421 0.311 20 0 CCADLP COCC[N@H+](C)CCC[NH2+][C@H](C)C[C@@H]1COCCN1 ZINC000422846356 389491098 /nfs/dbraw/zinc/49/10/98/389491098.db2.gz PQIXDSOIGZCNLB-ZIAGYGMSSA-N 2 2 273.421 0.311 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+][C@H](C)C[C@@H]1COCCN1 ZINC000422846356 389491101 /nfs/dbraw/zinc/49/11/01/389491101.db2.gz PQIXDSOIGZCNLB-ZIAGYGMSSA-N 2 2 273.421 0.311 20 0 CCADLP CC(C)N1CCC[C@@H]([N@@H+]2CCCO[C@H](C[NH3+])C2)C1=O ZINC000333635303 389437540 /nfs/dbraw/zinc/43/75/40/389437540.db2.gz BJHWWOXLVJLMTQ-CHWSQXEVSA-N 2 2 269.389 0.435 20 0 CCADLP CC(C)N1CCC[C@@H]([N@H+]2CCCO[C@H](C[NH3+])C2)C1=O ZINC000333635303 389437542 /nfs/dbraw/zinc/43/75/42/389437542.db2.gz BJHWWOXLVJLMTQ-CHWSQXEVSA-N 2 2 269.389 0.435 20 0 CCADLP Cc1cc[nH+]c(N2CC[NH+](CCOCCO)CC2)c1 ZINC000166357864 389441419 /nfs/dbraw/zinc/44/14/19/389441419.db2.gz WXRCLBXDQVNMBX-UHFFFAOYSA-N 2 2 265.357 0.521 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000422854842 389492738 /nfs/dbraw/zinc/49/27/38/389492738.db2.gz DEKABTPFYSTYHJ-QWHCGFSZSA-N 2 2 298.431 0.077 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000422854842 389492743 /nfs/dbraw/zinc/49/27/43/389492743.db2.gz DEKABTPFYSTYHJ-QWHCGFSZSA-N 2 2 298.431 0.077 20 0 CCADLP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000422705493 389455462 /nfs/dbraw/zinc/45/54/62/389455462.db2.gz CFPDHXOJYPRLPG-OCCSQVGLSA-N 2 2 281.400 0.450 20 0 CCADLP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000422705493 389455465 /nfs/dbraw/zinc/45/54/65/389455465.db2.gz CFPDHXOJYPRLPG-OCCSQVGLSA-N 2 2 281.400 0.450 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000422714087 389457622 /nfs/dbraw/zinc/45/76/22/389457622.db2.gz QRMOQSCYKCCMML-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000422714087 389457628 /nfs/dbraw/zinc/45/76/28/389457628.db2.gz QRMOQSCYKCCMML-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCN1CCOC[C@@H]1C ZINC000422712227 389457888 /nfs/dbraw/zinc/45/78/88/389457888.db2.gz IAUOELWOXWDNPU-HZSPNIEDSA-N 2 2 271.405 0.064 20 0 CCADLP CC[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000422922241 389506038 /nfs/dbraw/zinc/50/60/38/389506038.db2.gz SHCJLXXWHRWLBD-DRZSPHRISA-N 2 2 251.374 0.870 20 0 CCADLP C[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1c[nH+]ccc1N ZINC000422924022 389507147 /nfs/dbraw/zinc/50/71/47/389507147.db2.gz XLKWDIMVAANPPT-ZJUUUORDSA-N 2 2 260.341 0.908 20 0 CCADLP COC(=O)[C@H](C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174715164 389527805 /nfs/dbraw/zinc/52/78/05/389527805.db2.gz DNHPBSPBMVZMAG-LBPRGKRZSA-N 2 2 257.378 0.117 20 0 CCADLP COC(=O)[C@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174715164 389527809 /nfs/dbraw/zinc/52/78/09/389527809.db2.gz DNHPBSPBMVZMAG-LBPRGKRZSA-N 2 2 257.378 0.117 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000423077798 389530074 /nfs/dbraw/zinc/53/00/74/389530074.db2.gz UOTXVTFNHREOEE-OWCLPIDISA-N 3 2 299.459 0.844 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000423077798 389530076 /nfs/dbraw/zinc/53/00/76/389530076.db2.gz UOTXVTFNHREOEE-OWCLPIDISA-N 3 2 299.459 0.844 20 0 CCADLP C[C@H](C[C@@H]1COCCN1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000423077798 389530079 /nfs/dbraw/zinc/53/00/79/389530079.db2.gz UOTXVTFNHREOEE-OWCLPIDISA-N 2 2 299.459 0.844 20 0 CCADLP C[C@H](C[C@@H]1COCCN1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000423077798 389530082 /nfs/dbraw/zinc/53/00/82/389530082.db2.gz UOTXVTFNHREOEE-OWCLPIDISA-N 2 2 299.459 0.844 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(N2CCOCC2)CC1 ZINC000423075401 389530706 /nfs/dbraw/zinc/53/07/06/389530706.db2.gz OLLNNHPCLCBGAT-OLZOCXBDSA-N 2 2 253.390 0.439 20 0 CCADLP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000423144764 389543341 /nfs/dbraw/zinc/54/33/41/389543341.db2.gz HWTQEAUTBMWXIY-KGLIPLIRSA-N 3 2 257.422 0.940 20 0 CCADLP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000423144764 389543344 /nfs/dbraw/zinc/54/33/44/389543344.db2.gz HWTQEAUTBMWXIY-KGLIPLIRSA-N 3 2 257.422 0.940 20 0 CCADLP C[C@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CCC[NH2+]1 ZINC000423147052 389544227 /nfs/dbraw/zinc/54/42/27/389544227.db2.gz BXRJUVMXXLMYAR-FQUUOJAGSA-N 2 2 253.390 0.580 20 0 CCADLP C[C@H](NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CCC[NH2+]1 ZINC000423147052 389544230 /nfs/dbraw/zinc/54/42/30/389544230.db2.gz BXRJUVMXXLMYAR-FQUUOJAGSA-N 2 2 253.390 0.580 20 0 CCADLP C[C@H](NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CCC[NH2+]1 ZINC000423147052 389544234 /nfs/dbraw/zinc/54/42/34/389544234.db2.gz BXRJUVMXXLMYAR-FQUUOJAGSA-N 2 2 253.390 0.580 20 0 CCADLP CC[C@H]([NH2+][C@H](C)C[C@H]1COCC[NH2+]1)[C@H](O)C(F)F ZINC000423153465 389545382 /nfs/dbraw/zinc/54/53/82/389545382.db2.gz GPUITYLZVHUVAF-RCWTZXSCSA-N 2 2 266.332 0.748 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423158569 389546172 /nfs/dbraw/zinc/54/61/72/389546172.db2.gz OEZYRKVIEDGUQC-QJPTWQEYSA-N 2 2 277.434 0.434 20 0 CCADLP C[NH+](C)CCNC(=O)c1ccc(C[NH+]2CCOCC2)cn1 ZINC000350829141 389546322 /nfs/dbraw/zinc/54/63/22/389546322.db2.gz HUKIEPWUXVGOKV-UHFFFAOYSA-N 2 2 292.383 0.205 20 0 CCADLP CN(C)S(=O)(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])c1 ZINC000423160633 389547060 /nfs/dbraw/zinc/54/70/60/389547060.db2.gz ZYNKWHVEUPMTFI-ZIAGYGMSSA-N 2 2 297.424 0.906 20 0 CCADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000423185926 389550638 /nfs/dbraw/zinc/55/06/38/389550638.db2.gz JOIXVPIASBESRT-AAEUAGOBSA-N 2 2 297.424 0.997 20 0 CCADLP COC[C@H](CCC[NH3+])Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000423242089 389556644 /nfs/dbraw/zinc/55/66/44/389556644.db2.gz YJIIEMSNPMFTIR-ZDUSSCGKSA-N 3 2 293.415 0.657 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374210038 389558872 /nfs/dbraw/zinc/55/88/72/389558872.db2.gz SNHMJBFRYOLUIF-VIFPVBQESA-N 2 2 279.344 0.433 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCC([NH3+])(CC)CC ZINC000423292610 389559839 /nfs/dbraw/zinc/55/98/39/389559839.db2.gz NKUWSECLTYMFST-WDEREUQCSA-N 2 2 257.378 0.387 20 0 CCADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CC([NH3+])(CC)CC ZINC000423292610 389559844 /nfs/dbraw/zinc/55/98/44/389559844.db2.gz NKUWSECLTYMFST-WDEREUQCSA-N 2 2 257.378 0.387 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)[NH+]1CCOCC1 ZINC000423308104 389562308 /nfs/dbraw/zinc/56/23/08/389562308.db2.gz XJOKGRYNCICFDU-ILXRZTDVSA-N 2 2 297.443 0.848 20 0 CCADLP COCC[NH2+]CC[NH2+][C@H](C)Cc1ccc(OC)nc1 ZINC000423321802 389564431 /nfs/dbraw/zinc/56/44/31/389564431.db2.gz GCHZMOQGGROFCM-GFCCVEGCSA-N 2 2 267.373 0.847 20 0 CCADLP C[C@@H](CNC(=O)CCc1[nH]cc[nH+]1)[N@H+](C)C1CC1 ZINC000279361714 389566729 /nfs/dbraw/zinc/56/67/29/389566729.db2.gz GEATTWKPLODPMC-JTQLQIEISA-N 2 2 250.346 0.941 20 0 CCADLP C[C@@H](CNC(=O)CCc1[nH]cc[nH+]1)[N@@H+](C)C1CC1 ZINC000279361714 389566735 /nfs/dbraw/zinc/56/67/35/389566735.db2.gz GEATTWKPLODPMC-JTQLQIEISA-N 2 2 250.346 0.941 20 0 CCADLP CC1CC[NH+](CCNC(=O)[C@H]([NH3+])c2cscn2)CC1 ZINC000423330318 389567195 /nfs/dbraw/zinc/56/71/95/389567195.db2.gz NOXKYEHKIHCJGJ-GFCCVEGCSA-N 2 2 282.413 0.991 20 0 CCADLP COCC[NH2+]CC[NH2+][C@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000423334503 389567246 /nfs/dbraw/zinc/56/72/46/389567246.db2.gz PDEXZHXSJJZYTI-LLVKDONJSA-N 2 2 293.367 0.904 20 0 CCADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422883505 389498463 /nfs/dbraw/zinc/49/84/63/389498463.db2.gz VDLHEWUYDSAZBD-KFWWJZLASA-N 3 2 296.459 0.646 20 0 CCADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422883505 389498466 /nfs/dbraw/zinc/49/84/66/389498466.db2.gz VDLHEWUYDSAZBD-KFWWJZLASA-N 3 2 296.459 0.646 20 0 CCADLP COCC[N@@H+]1CC[C@@H](N[C@H](C)c2c[nH+]ccc2N)C1 ZINC000422889922 389500073 /nfs/dbraw/zinc/50/00/73/389500073.db2.gz QVKZYGXGYQRJGK-VXGBXAGGSA-N 2 2 264.373 0.865 20 0 CCADLP COCC[N@H+]1CC[C@@H](N[C@H](C)c2c[nH+]ccc2N)C1 ZINC000422889922 389500076 /nfs/dbraw/zinc/50/00/76/389500076.db2.gz QVKZYGXGYQRJGK-VXGBXAGGSA-N 2 2 264.373 0.865 20 0 CCADLP COCCN1CC[C@@H]([NH2+][C@H](C)c2c[nH+]ccc2N)C1 ZINC000422889922 389500080 /nfs/dbraw/zinc/50/00/80/389500080.db2.gz QVKZYGXGYQRJGK-VXGBXAGGSA-N 2 2 264.373 0.865 20 0 CCADLP CC(C)[N@H+]1CCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000334816192 389505030 /nfs/dbraw/zinc/50/50/30/389505030.db2.gz JDOGBQDTUNYBPD-LLVKDONJSA-N 2 2 275.343 0.926 20 0 CCADLP C[C@H](c1cnn(C)c1)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351582866 389622598 /nfs/dbraw/zinc/62/25/98/389622598.db2.gz SBADDVZMMNQXOK-BXUZGUMPSA-N 2 2 266.389 0.868 20 0 CCADLP C[C@H](c1cnn(C)c1)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351582866 389622605 /nfs/dbraw/zinc/62/26/05/389622605.db2.gz SBADDVZMMNQXOK-BXUZGUMPSA-N 2 2 266.389 0.868 20 0 CCADLP C[C@H](c1cnn(C)c1)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351582866 389622608 /nfs/dbraw/zinc/62/26/08/389622608.db2.gz SBADDVZMMNQXOK-BXUZGUMPSA-N 2 2 266.389 0.868 20 0 CCADLP C[C@H](c1cnn(C)c1)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351582866 389622614 /nfs/dbraw/zinc/62/26/14/389622614.db2.gz SBADDVZMMNQXOK-BXUZGUMPSA-N 2 2 266.389 0.868 20 0 CCADLP CC(=O)N[C@H](C)C1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351584345 389622689 /nfs/dbraw/zinc/62/26/89/389622689.db2.gz VXSVNIAVDUFJOB-WBMJQRKESA-N 2 2 297.443 0.678 20 0 CCADLP CC(=O)N[C@H](C)C1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351584345 389622693 /nfs/dbraw/zinc/62/26/93/389622693.db2.gz VXSVNIAVDUFJOB-WBMJQRKESA-N 2 2 297.443 0.678 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1CCN(C)C(=O)C1 ZINC000424330274 389623412 /nfs/dbraw/zinc/62/34/12/389623412.db2.gz RRNXHOUIQPVUGT-DYEKYZERSA-N 2 2 265.401 0.927 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1CCN(C)C(=O)C1 ZINC000424330274 389623416 /nfs/dbraw/zinc/62/34/16/389623416.db2.gz RRNXHOUIQPVUGT-DYEKYZERSA-N 2 2 265.401 0.927 20 0 CCADLP CC(C)C[C@@H]([NH3+])CN1CCN(Cc2[nH+]ccn2C)CC1 ZINC000414707238 389629775 /nfs/dbraw/zinc/62/97/75/389629775.db2.gz YRQKRTCNWRMOSJ-CQSZACIVSA-N 2 2 279.432 0.911 20 0 CCADLP C([C@H]1CC[N@H+](CC2CC[NH2+]CC2)C1)[NH+]1CCOCC1 ZINC000178981911 389632057 /nfs/dbraw/zinc/63/20/57/389632057.db2.gz XUILKZGIPLOTSQ-OAHLLOKOSA-N 3 2 267.417 0.640 20 0 CCADLP C([C@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1)[NH+]1CCOCC1 ZINC000178981911 389632060 /nfs/dbraw/zinc/63/20/60/389632060.db2.gz XUILKZGIPLOTSQ-OAHLLOKOSA-N 3 2 267.417 0.640 20 0 CCADLP CCOC(=O)C[C@H](C)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351607619 389632786 /nfs/dbraw/zinc/63/27/86/389632786.db2.gz WTHASYIKIQECKC-WCQYABFASA-N 2 2 272.389 0.715 20 0 CCADLP CCOC(=O)C[C@H](C)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351607619 389632787 /nfs/dbraw/zinc/63/27/87/389632787.db2.gz WTHASYIKIQECKC-WCQYABFASA-N 2 2 272.389 0.715 20 0 CCADLP CCOC(=O)C[C@H](C)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351607619 389632788 /nfs/dbraw/zinc/63/27/88/389632788.db2.gz WTHASYIKIQECKC-WCQYABFASA-N 2 2 272.389 0.715 20 0 CCADLP CCOC(=O)C[C@H](C)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351607619 389632790 /nfs/dbraw/zinc/63/27/90/389632790.db2.gz WTHASYIKIQECKC-WCQYABFASA-N 2 2 272.389 0.715 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000414736271 389634500 /nfs/dbraw/zinc/63/45/00/389634500.db2.gz GLCFUQAATHILBH-WCQYABFASA-N 2 2 268.405 0.896 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000414736271 389634501 /nfs/dbraw/zinc/63/45/01/389634501.db2.gz GLCFUQAATHILBH-WCQYABFASA-N 2 2 268.405 0.896 20 0 CCADLP COCCN(C)c1ccc(C[NH2+][C@H]2CC[NH2+]C2)cn1 ZINC000414886846 389644056 /nfs/dbraw/zinc/64/40/56/389644056.db2.gz QPAPRLIVXICCCB-ZDUSSCGKSA-N 2 2 264.373 0.616 20 0 CCADLP COc1ccc(C[NH2+]C[C@H]2C[NH2+]CCN2C)c(OC)c1 ZINC000414968020 389648749 /nfs/dbraw/zinc/64/87/49/389648749.db2.gz RAJSKMAIHFGBGH-CYBMUJFWSA-N 2 2 279.384 0.697 20 0 CCADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000374370031 389572252 /nfs/dbraw/zinc/57/22/52/389572252.db2.gz ZXIPAEGWTHSUKL-GJZGRUSLSA-N 2 2 289.379 0.620 20 0 CCADLP C[NH+]1Cc2ccccc2[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000374370031 389572257 /nfs/dbraw/zinc/57/22/57/389572257.db2.gz ZXIPAEGWTHSUKL-GJZGRUSLSA-N 2 2 289.379 0.620 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)C1 ZINC000374370031 389572259 /nfs/dbraw/zinc/57/22/59/389572259.db2.gz ZXIPAEGWTHSUKL-GJZGRUSLSA-N 2 2 289.379 0.620 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)C1 ZINC000374370031 389572263 /nfs/dbraw/zinc/57/22/63/389572263.db2.gz ZXIPAEGWTHSUKL-GJZGRUSLSA-N 2 2 289.379 0.620 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423382448 389576608 /nfs/dbraw/zinc/57/66/08/389576608.db2.gz IOGCPFWAUUOVQE-QWRGUYRKSA-N 2 2 262.419 0.787 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000423399377 389578995 /nfs/dbraw/zinc/57/89/95/389578995.db2.gz VVUACHHPWUZJRH-GFCCVEGCSA-N 2 2 269.389 0.341 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000423399377 389578998 /nfs/dbraw/zinc/57/89/98/389578998.db2.gz VVUACHHPWUZJRH-GFCCVEGCSA-N 2 2 269.389 0.341 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCS(N)(=O)=O ZINC000177322517 389579572 /nfs/dbraw/zinc/57/95/72/389579572.db2.gz DLGIRKCVFBINRH-NEPJUHHUSA-N 2 2 275.418 0.224 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCS(N)(=O)=O ZINC000177322517 389579576 /nfs/dbraw/zinc/57/95/76/389579576.db2.gz DLGIRKCVFBINRH-NEPJUHHUSA-N 2 2 275.418 0.224 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCS(N)(=O)=O ZINC000177322517 389579578 /nfs/dbraw/zinc/57/95/78/389579578.db2.gz DLGIRKCVFBINRH-NEPJUHHUSA-N 2 2 275.418 0.224 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCS(N)(=O)=O ZINC000177322517 389579582 /nfs/dbraw/zinc/57/95/82/389579582.db2.gz DLGIRKCVFBINRH-NEPJUHHUSA-N 2 2 275.418 0.224 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000423457473 389590190 /nfs/dbraw/zinc/59/01/90/389590190.db2.gz FUQULUXKNKYRSY-MGPQQGTHSA-N 2 2 283.416 0.683 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000423457473 389590195 /nfs/dbraw/zinc/59/01/95/389590195.db2.gz FUQULUXKNKYRSY-MGPQQGTHSA-N 2 2 283.416 0.683 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC[NH2+]CCC ZINC000423455434 389590329 /nfs/dbraw/zinc/59/03/29/389590329.db2.gz FDPPFVICZMSUEI-CYBMUJFWSA-N 2 2 271.405 0.603 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC[NH2+]CCC ZINC000423455434 389590331 /nfs/dbraw/zinc/59/03/31/389590331.db2.gz FDPPFVICZMSUEI-CYBMUJFWSA-N 2 2 271.405 0.603 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N1CC[NH+]2CCC1CC2 ZINC000335704240 389590683 /nfs/dbraw/zinc/59/06/83/389590683.db2.gz UMNZIPTXRHORTJ-UHFFFAOYSA-N 2 2 263.345 0.410 20 0 CCADLP C[C@H]1CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@@H]1O ZINC000425382091 389646085 /nfs/dbraw/zinc/64/60/85/389646085.db2.gz NOIRBGFUPATCOC-JQWIXIFHSA-N 2 2 252.362 0.689 20 0 CCADLP C[C@H]1CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@@H]1O ZINC000425382091 389646090 /nfs/dbraw/zinc/64/60/90/389646090.db2.gz NOIRBGFUPATCOC-JQWIXIFHSA-N 2 2 252.362 0.689 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)Cn2cc[nH+]c2)C1 ZINC000351507561 389599019 /nfs/dbraw/zinc/59/90/19/389599019.db2.gz OXEKKYOKIFSNIX-VXGBXAGGSA-N 2 2 266.345 0.109 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)Cn2cc[nH+]c2)C1 ZINC000351507561 389599021 /nfs/dbraw/zinc/59/90/21/389599021.db2.gz OXEKKYOKIFSNIX-VXGBXAGGSA-N 2 2 266.345 0.109 20 0 CCADLP C[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1C[C@H]1C ZINC000414107576 389600796 /nfs/dbraw/zinc/60/07/96/389600796.db2.gz ZDHOFAMWJKVPCG-BARDWOONSA-N 2 2 295.427 0.554 20 0 CCADLP CC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1nccn1C ZINC000182819216 389717636 /nfs/dbraw/zinc/71/76/36/389717636.db2.gz VNYLMQBHMFSNDM-ZDUSSCGKSA-N 2 2 293.415 0.625 20 0 CCADLP COc1cccc(C[NH2+]C[C@H]2C[NH2+]CCN2C)c1OC ZINC000414966614 389649194 /nfs/dbraw/zinc/64/91/94/389649194.db2.gz OTDPMHHLGJXVBK-CYBMUJFWSA-N 2 2 279.384 0.697 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1cncc(Br)c1 ZINC000414976529 389651112 /nfs/dbraw/zinc/65/11/12/389651112.db2.gz OGOOOPCWCHAYBK-GFCCVEGCSA-N 2 2 299.216 0.837 20 0 CCADLP CC[C@H]([NH3+])C[NH2+]Cc1ccc(N(C)CCOC)nc1 ZINC000414988895 389651877 /nfs/dbraw/zinc/65/18/77/389651877.db2.gz MOAFJQJGCLSTBK-ZDUSSCGKSA-N 2 2 266.389 0.991 20 0 CCADLP CNC(=O)NC1CC[NH+](C[C@@H]([NH3+])CC(C)C)CC1 ZINC000415129289 389661858 /nfs/dbraw/zinc/66/18/58/389661858.db2.gz UGHQYMSBHBIBEV-NSHDSACASA-N 2 2 256.394 0.753 20 0 CCADLP CCC1(CC)[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C[C@@H]1OC ZINC000181618988 389689556 /nfs/dbraw/zinc/68/95/56/389689556.db2.gz KBOIFLZBSQWIIJ-KGLIPLIRSA-N 2 2 297.443 0.944 20 0 CCADLP CCC1(CC)[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C[C@@H]1OC ZINC000181619004 389690003 /nfs/dbraw/zinc/69/00/03/389690003.db2.gz KBOIFLZBSQWIIJ-KBPBESRZSA-N 2 2 297.443 0.944 20 0 CCADLP Cc1nnc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)[nH]1 ZINC000428462185 389699942 /nfs/dbraw/zinc/69/99/42/389699942.db2.gz JYZPQXONYRRFBD-UHFFFAOYSA-N 2 2 279.388 0.657 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)CCN1CCCOCC1 ZINC000429687735 389766152 /nfs/dbraw/zinc/76/61/52/389766152.db2.gz AGSYJKMDEKRKEN-UHFFFAOYSA-N 2 2 266.389 0.927 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)CCN1CCCOCC1 ZINC000429687735 389766154 /nfs/dbraw/zinc/76/61/54/389766154.db2.gz AGSYJKMDEKRKEN-UHFFFAOYSA-N 2 2 266.389 0.927 20 0 CCADLP CC(C)(CNC(=O)NC[C@@H]([NH3+])C1CC1)[NH+]1CCOCC1 ZINC000416830257 389774909 /nfs/dbraw/zinc/77/49/09/389774909.db2.gz RABLVWNFIBECJY-GFCCVEGCSA-N 2 2 284.404 0.134 20 0 CCADLP C[C@@H]1CCN(C(=O)NCCn2cc[nH+]c2)C[C@@H]1C[NH3+] ZINC000416842776 389776080 /nfs/dbraw/zinc/77/60/80/389776080.db2.gz JXXXJBFCTKNYDO-NEPJUHHUSA-N 2 2 265.361 0.509 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCOC(F)(F)F ZINC000398184946 389781256 /nfs/dbraw/zinc/78/12/56/389781256.db2.gz UKBYDMMOURHDNJ-IUCAKERBSA-N 2 2 256.268 0.879 20 0 CCADLP [NH3+][C@H](C(=O)N1CC[NH+](Cc2ccncc2)CC1)C1CCC1 ZINC000399202883 389788939 /nfs/dbraw/zinc/78/89/39/389788939.db2.gz UUNMIFSMGSHEQR-HNNXBMFYSA-N 2 2 288.395 0.853 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000417024787 389790965 /nfs/dbraw/zinc/79/09/65/389790965.db2.gz KXELNFSZSOEVEV-QWHCGFSZSA-N 2 2 286.420 0.380 20 0 CCADLP CN(C)c1ccc(CNC(=O)NC[C@H]2CCC[NH2+]C2)c[nH+]1 ZINC000417027548 389791040 /nfs/dbraw/zinc/79/10/40/389791040.db2.gz ZXVAUYYWRSEXJV-LBPRGKRZSA-N 2 2 291.399 0.946 20 0 CCADLP CC(C)[C@@H](C(=O)N(C)Cc1[nH+]ccn1C)[C@@H](C)[NH3+] ZINC000399486155 389792108 /nfs/dbraw/zinc/79/21/08/389792108.db2.gz YZQYOHNTJXTFIU-ZYHUDNBSSA-N 2 2 252.362 0.998 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000376191030 389731190 /nfs/dbraw/zinc/73/11/90/389731190.db2.gz XCUXPFXFWVXGLC-ZIAGYGMSSA-N 2 2 283.416 0.648 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000376191030 389731192 /nfs/dbraw/zinc/73/11/92/389731192.db2.gz XCUXPFXFWVXGLC-ZIAGYGMSSA-N 2 2 283.416 0.648 20 0 CCADLP O=C(NCCC[C@@H]1CCC[NH2+]1)NCC[NH+]1CCOCC1 ZINC000416437899 389743778 /nfs/dbraw/zinc/74/37/78/389743778.db2.gz NMRLHFSMSSJMTJ-ZDUSSCGKSA-N 2 2 284.404 0.150 20 0 CCADLP CN(Cc1[nH+]ccn1C)c1cc[nH+]c(N2CCOCC2)n1 ZINC000352391994 389803140 /nfs/dbraw/zinc/80/31/40/389803140.db2.gz QCOMDTUJPOCKKW-UHFFFAOYSA-N 2 2 288.355 0.683 20 0 CCADLP CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000352407015 389805490 /nfs/dbraw/zinc/80/54/90/389805490.db2.gz OMOQCCOJTZJZTN-WDEREUQCSA-N 2 2 272.374 0.360 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430553876 389806841 /nfs/dbraw/zinc/80/68/41/389806841.db2.gz DWDWJXQEIXJGSI-NEPJUHHUSA-N 2 2 257.378 0.198 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430553876 389806844 /nfs/dbraw/zinc/80/68/44/389806844.db2.gz DWDWJXQEIXJGSI-NEPJUHHUSA-N 2 2 257.378 0.198 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430553877 389806946 /nfs/dbraw/zinc/80/69/46/389806946.db2.gz DWDWJXQEIXJGSI-NWDGAFQWSA-N 2 2 257.378 0.198 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430553877 389806948 /nfs/dbraw/zinc/80/69/48/389806948.db2.gz DWDWJXQEIXJGSI-NWDGAFQWSA-N 2 2 257.378 0.198 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000430553760 389806985 /nfs/dbraw/zinc/80/69/85/389806985.db2.gz LVVHKWRCNJOZEP-QWRGUYRKSA-N 2 2 275.356 0.582 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000430553760 389806988 /nfs/dbraw/zinc/80/69/88/389806988.db2.gz LVVHKWRCNJOZEP-QWRGUYRKSA-N 2 2 275.356 0.582 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NCc2cccnc2)C1 ZINC000430554869 389807537 /nfs/dbraw/zinc/80/75/37/389807537.db2.gz OECXLALKSSEPMT-GXTWGEPZSA-N 2 2 276.384 0.757 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NCc2cccnc2)C1 ZINC000430554869 389807539 /nfs/dbraw/zinc/80/75/39/389807539.db2.gz OECXLALKSSEPMT-GXTWGEPZSA-N 2 2 276.384 0.757 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430559017 389807808 /nfs/dbraw/zinc/80/78/08/389807808.db2.gz WRJHTXPUHAKOMH-ZIAGYGMSSA-N 2 2 285.432 0.979 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430559017 389807810 /nfs/dbraw/zinc/80/78/10/389807810.db2.gz WRJHTXPUHAKOMH-ZIAGYGMSSA-N 2 2 285.432 0.979 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430565783 389808446 /nfs/dbraw/zinc/80/84/46/389808446.db2.gz GITUMHPPTXSGSR-CYBMUJFWSA-N 2 2 270.377 0.328 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000430568558 389808554 /nfs/dbraw/zinc/80/85/54/389808554.db2.gz HMMHFSOLYWWHMS-KBPBESRZSA-N 3 2 296.459 0.646 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000430568558 389808556 /nfs/dbraw/zinc/80/85/56/389808556.db2.gz HMMHFSOLYWWHMS-KBPBESRZSA-N 3 2 296.459 0.646 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000403313107 389809156 /nfs/dbraw/zinc/80/91/56/389809156.db2.gz AOXPSZMTWDBCNK-MCIONIFRSA-N 2 2 265.401 0.786 20 0 CCADLP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000430588447 389809765 /nfs/dbraw/zinc/80/97/65/389809765.db2.gz DUQXYKYBOLZPFU-ZDUSSCGKSA-N 2 2 290.367 0.537 20 0 CCADLP NC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000430588447 389809767 /nfs/dbraw/zinc/80/97/67/389809767.db2.gz DUQXYKYBOLZPFU-ZDUSSCGKSA-N 2 2 290.367 0.537 20 0 CCADLP CO[C@@H](C)c1noc(C[NH+]2CCC(C[NH3+])CC2)n1 ZINC000430588875 389810529 /nfs/dbraw/zinc/81/05/29/389810529.db2.gz ATSAPMJRKFCLRS-VIFPVBQESA-N 2 2 254.334 0.948 20 0 CCADLP CCc1nc(N2CC[C@H]3OCC[NH2+][C@@H]3C2)cc(C)[nH+]1 ZINC000404262421 389811096 /nfs/dbraw/zinc/81/10/96/389811096.db2.gz OXLHCEYMGCAYEM-VXGBXAGGSA-N 2 2 262.357 0.915 20 0 CCADLP C[C@@H]1CN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)[C@H](C)C[NH2+]1 ZINC000417422870 389815243 /nfs/dbraw/zinc/81/52/43/389815243.db2.gz LNMHXHIJAOEFMW-CHWSQXEVSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1CN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)[C@H](C)C[NH2+]1 ZINC000417422870 389815245 /nfs/dbraw/zinc/81/52/45/389815245.db2.gz LNMHXHIJAOEFMW-CHWSQXEVSA-N 2 2 298.431 0.489 20 0 CCADLP Cn1ccc(N2CCC[C@H]([N@@H+]3CCC[C@@H](C[NH3+])C3)C2=O)n1 ZINC000430642618 389815353 /nfs/dbraw/zinc/81/53/53/389815353.db2.gz VMZAWDITIZPPTJ-STQMWFEESA-N 2 2 291.399 0.586 20 0 CCADLP Cn1ccc(N2CCC[C@H]([N@H+]3CCC[C@@H](C[NH3+])C3)C2=O)n1 ZINC000430642618 389815356 /nfs/dbraw/zinc/81/53/56/389815356.db2.gz VMZAWDITIZPPTJ-STQMWFEESA-N 2 2 291.399 0.586 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[NH+]1CCC([NH3+])CC1 ZINC000430640529 389815419 /nfs/dbraw/zinc/81/54/19/389815419.db2.gz RDXRUDSBTHOJBB-NSHDSACASA-N 2 2 296.415 0.957 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000430638745 389816036 /nfs/dbraw/zinc/81/60/36/389816036.db2.gz DGZMJMSCVVGCNP-ZDUSSCGKSA-N 3 2 294.443 0.400 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000430638745 389816038 /nfs/dbraw/zinc/81/60/38/389816038.db2.gz DGZMJMSCVVGCNP-ZDUSSCGKSA-N 3 2 294.443 0.400 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000430660079 389816983 /nfs/dbraw/zinc/81/69/83/389816983.db2.gz CKMGWLXBWYFXFJ-AWEZNQCLSA-N 2 2 285.432 0.851 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000430660079 389816986 /nfs/dbraw/zinc/81/69/86/389816986.db2.gz CKMGWLXBWYFXFJ-AWEZNQCLSA-N 2 2 285.432 0.851 20 0 CCADLP C[C@@H](NC(=O)N1CC[NH2+][C@H](C)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000417515459 389823810 /nfs/dbraw/zinc/82/38/10/389823810.db2.gz DIZQVFJLIZWMLD-JHJVBQTASA-N 2 2 284.404 0.099 20 0 CCADLP C[C@H]1CN(C(=O)NCC[N@@H+]2CCOCC2(C)C)CC[C@H]1[NH3+] ZINC000417511496 389824104 /nfs/dbraw/zinc/82/41/04/389824104.db2.gz UICYMEYRKSVPBZ-QWHCGFSZSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@H]1CN(C(=O)NCC[N@H+]2CCOCC2(C)C)CC[C@H]1[NH3+] ZINC000417511496 389824106 /nfs/dbraw/zinc/82/41/06/389824106.db2.gz UICYMEYRKSVPBZ-QWHCGFSZSA-N 2 2 298.431 0.476 20 0 CCADLP COc1ccccc1[C@@H]([NH3+])C(=O)NCC[NH+]1CCOCC1 ZINC000430837389 389828328 /nfs/dbraw/zinc/82/83/28/389828328.db2.gz JUDPFLSWZNFNNX-CQSZACIVSA-N 2 2 293.367 0.143 20 0 CCADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)NC(=O)NCc2cccs2)C1 ZINC000430935656 389836369 /nfs/dbraw/zinc/83/63/69/389836369.db2.gz UZHYEXFRMJOELE-JTQLQIEISA-N 2 2 296.396 0.355 20 0 CCADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NCc2cccs2)C1 ZINC000430935656 389836371 /nfs/dbraw/zinc/83/63/71/389836371.db2.gz UZHYEXFRMJOELE-JTQLQIEISA-N 2 2 296.396 0.355 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC000430934029 389836535 /nfs/dbraw/zinc/83/65/35/389836535.db2.gz NCSKIGAVZTVRPA-GHMZBOCLSA-N 2 2 270.377 0.150 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC000430934029 389836537 /nfs/dbraw/zinc/83/65/37/389836537.db2.gz NCSKIGAVZTVRPA-GHMZBOCLSA-N 2 2 270.377 0.150 20 0 CCADLP CN(CC[NH3+])C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000417674996 389840500 /nfs/dbraw/zinc/84/05/00/389840500.db2.gz BMNLPGGVCZXWCH-UHFFFAOYSA-N 2 2 273.340 0.972 20 0 CCADLP CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000430965938 389841936 /nfs/dbraw/zinc/84/19/36/389841936.db2.gz MAXHOEKGSAQAOH-GFCCVEGCSA-N 2 2 290.367 0.864 20 0 CCADLP CC(=O)Nc1ccc(NC(=O)C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000430965938 389841939 /nfs/dbraw/zinc/84/19/39/389841939.db2.gz MAXHOEKGSAQAOH-GFCCVEGCSA-N 2 2 290.367 0.864 20 0 CCADLP CCOCC[NH+]1CCN(Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC000431077388 389849351 /nfs/dbraw/zinc/84/93/51/389849351.db2.gz OGILPKBLTOJVQK-UHFFFAOYSA-N 2 2 297.403 0.418 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000417842806 389856008 /nfs/dbraw/zinc/85/60/08/389856008.db2.gz UUYRQURRKYSBBU-MXWKQRLJSA-N 2 2 275.343 0.736 20 0 CCADLP Cc1[nH]c(C(=O)NC[C@@](C)(O)CC[NH+](C)C)c[nH+]1 ZINC000431390887 389858367 /nfs/dbraw/zinc/85/83/67/389858367.db2.gz ITBIXHOKWONBMS-LBPRGKRZSA-N 2 2 254.334 0.151 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]2c2c[nH+]cn2C)O1 ZINC000527555198 285347748 /nfs/dbraw/zinc/34/77/48/285347748.db2.gz RWSFIIUWMFBYHV-PRULPYPASA-N 2 2 278.356 0.111 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]2c2c[nH+]cn2C)O1 ZINC000527555198 285347751 /nfs/dbraw/zinc/34/77/51/285347751.db2.gz RWSFIIUWMFBYHV-PRULPYPASA-N 2 2 278.356 0.111 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418568324 389879096 /nfs/dbraw/zinc/87/90/96/389879096.db2.gz BIYVPQWULVQVPD-HZSPNIEDSA-N 2 2 298.431 0.618 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cocn3)C2)CC1 ZINC000432743078 389887825 /nfs/dbraw/zinc/88/78/25/389887825.db2.gz WXBCJVLRDRJVPI-CQSZACIVSA-N 2 2 264.373 0.886 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cocn3)C2)CC1 ZINC000432743078 389887827 /nfs/dbraw/zinc/88/78/27/389887827.db2.gz WXBCJVLRDRJVPI-CQSZACIVSA-N 2 2 264.373 0.886 20 0 CCADLP C[C@H]1CN(C(=O)c2coc(C[NH3+])c2)C[C@H]1[NH+]1CCOCC1 ZINC000444270672 389898597 /nfs/dbraw/zinc/89/85/97/389898597.db2.gz VSNNCFIFHXHJGL-SMDDNHRTSA-N 2 2 293.367 0.531 20 0 CCADLP Cc1cc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc[nH+]1 ZINC000433139240 389900372 /nfs/dbraw/zinc/90/03/72/389900372.db2.gz AEEXFLVJGNQOIQ-UHFFFAOYSA-N 3 2 276.384 0.954 20 0 CCADLP CC(C)[C@@H](C[NH3+])C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000433169814 389903092 /nfs/dbraw/zinc/90/30/92/389903092.db2.gz SWAWWGUNWORADL-NWDGAFQWSA-N 2 2 257.378 0.054 20 0 CCADLP CC(C)[C@@H](C[NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000433169814 389903093 /nfs/dbraw/zinc/90/30/93/389903093.db2.gz SWAWWGUNWORADL-NWDGAFQWSA-N 2 2 257.378 0.054 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000447595149 389958622 /nfs/dbraw/zinc/95/86/22/389958622.db2.gz LMQCOHAZHUOSAJ-OCCSQVGLSA-N 3 2 255.406 0.637 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000447595149 389958623 /nfs/dbraw/zinc/95/86/23/389958623.db2.gz LMQCOHAZHUOSAJ-OCCSQVGLSA-N 3 2 255.406 0.637 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000447655923 389961118 /nfs/dbraw/zinc/96/11/18/389961118.db2.gz HBNDVCPWXJLYCP-ZDUSSCGKSA-N 2 2 271.405 0.507 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000447655923 389961121 /nfs/dbraw/zinc/96/11/21/389961121.db2.gz HBNDVCPWXJLYCP-ZDUSSCGKSA-N 2 2 271.405 0.507 20 0 CCADLP C[C@H](O)CNc1cc(NCC[C@H]2CCC[NH2+]C2)[nH+]cn1 ZINC000420190715 389964173 /nfs/dbraw/zinc/96/41/73/389964173.db2.gz HFMILFIIEUBUTC-NWDGAFQWSA-N 2 2 279.388 0.493 20 0 CCADLP C[C@H](O)CNc1cc(NCC[C@H]2CCC[NH2+]C2)nc[nH+]1 ZINC000420190715 389964176 /nfs/dbraw/zinc/96/41/76/389964176.db2.gz HFMILFIIEUBUTC-NWDGAFQWSA-N 2 2 279.388 0.493 20 0 CCADLP C[NH2+]CCCN1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000435881336 389965123 /nfs/dbraw/zinc/96/51/23/389965123.db2.gz UKSQPZRBDOCATP-OAHLLOKOSA-N 2 2 296.459 0.615 20 0 CCADLP C[NH2+]C[C@H](C)CNc1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000420212227 389966059 /nfs/dbraw/zinc/96/60/59/389966059.db2.gz TZQCHQYFKMQRIO-NWDGAFQWSA-N 2 2 279.388 0.705 20 0 CCADLP C[NH2+]C[C@H](C)CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000420212227 389966060 /nfs/dbraw/zinc/96/60/60/389966060.db2.gz TZQCHQYFKMQRIO-NWDGAFQWSA-N 2 2 279.388 0.705 20 0 CCADLP CCOCC[C@@H](O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000444650681 389912021 /nfs/dbraw/zinc/91/20/21/389912021.db2.gz DLGRKZJEYUSRQI-CYBMUJFWSA-N 2 2 255.362 0.993 20 0 CCADLP CCOCC[C@@H](O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000444650681 389912023 /nfs/dbraw/zinc/91/20/23/389912023.db2.gz DLGRKZJEYUSRQI-CYBMUJFWSA-N 2 2 255.362 0.993 20 0 CCADLP COc1ccc2[nH+]c(C)nc(NC[C@@H]3C[NH2+]C[C@H]3O)c2c1 ZINC000420248571 389972933 /nfs/dbraw/zinc/97/29/33/389972933.db2.gz WRNCCUJBUKBRFA-IINYFYTJSA-N 2 2 288.351 0.361 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](c2cccnc2)C2CC2)CC1 ZINC000445822379 389926264 /nfs/dbraw/zinc/92/62/64/389926264.db2.gz RIKHPSHNFQBOPT-INIZCTEOSA-N 2 2 288.395 0.896 20 0 CCADLP CC[NH+](CC)CCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434455912 389934985 /nfs/dbraw/zinc/93/49/85/389934985.db2.gz ABCROGWTAGUWQX-UHFFFAOYSA-N 2 2 298.431 0.492 20 0 CCADLP C[C@@H]1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)[C@H](C[NH3+])C1 ZINC000420255007 389973963 /nfs/dbraw/zinc/97/39/63/389973963.db2.gz FKUOWXAHKUDXEH-MNOVXSKESA-N 2 2 287.371 0.638 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCCN(c2ccnn2C)C1 ZINC000447065136 389945801 /nfs/dbraw/zinc/94/58/01/389945801.db2.gz FPIAMOACQJAILY-MGPQQGTHSA-N 2 2 277.416 0.929 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCCN(c2ccnn2C)C1 ZINC000447065136 389945803 /nfs/dbraw/zinc/94/58/03/389945803.db2.gz FPIAMOACQJAILY-MGPQQGTHSA-N 2 2 277.416 0.929 20 0 CCADLP COCCO[C@@H]1C[C@H](CO)C[N@H+](CCCn2cc[nH+]c2)C1 ZINC000447398327 389954098 /nfs/dbraw/zinc/95/40/98/389954098.db2.gz RBHRXYMEXZQDGO-LSDHHAIUSA-N 2 2 297.399 0.619 20 0 CCADLP COCCO[C@@H]1C[C@H](CO)C[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000447398327 389954099 /nfs/dbraw/zinc/95/40/99/389954099.db2.gz RBHRXYMEXZQDGO-LSDHHAIUSA-N 2 2 297.399 0.619 20 0 CCADLP COCCO[C@@H]1C[C@@H](CO)C[N@H+](CCn2cc[nH+]c2C)C1 ZINC000447395308 389954173 /nfs/dbraw/zinc/95/41/73/389954173.db2.gz IIUBCTLGTSPULB-HUUCEWRRSA-N 2 2 297.399 0.537 20 0 CCADLP COCCO[C@@H]1C[C@@H](CO)C[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000447395308 389954175 /nfs/dbraw/zinc/95/41/75/389954175.db2.gz IIUBCTLGTSPULB-HUUCEWRRSA-N 2 2 297.399 0.537 20 0 CCADLP C[C@@H](Nc1cc(N2CCOCC2)[nH+]cn1)[C@H](C)[NH3+] ZINC000420261048 389974789 /nfs/dbraw/zinc/97/47/89/389974789.db2.gz KCTIVVHKPWAJAW-VHSXEESVSA-N 2 2 251.334 0.461 20 0 CCADLP O[C@@H]1C[NH+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@H]1O ZINC000420925711 390038210 /nfs/dbraw/zinc/03/82/10/390038210.db2.gz WORZMEMAAUYTMU-HZPDHXFCSA-N 2 2 292.379 0.056 20 0 CCADLP CCCCNc1cc(N[C@@H](C)[C@H](C)[NH3+])nc(N)[nH+]1 ZINC000420271831 389976427 /nfs/dbraw/zinc/97/64/27/389976427.db2.gz VVXVSQSQBXHLDW-IUCAKERBSA-N 2 2 252.366 0.671 20 0 CCADLP Cc1cc(NC[C@H]2C[NH2+]CCN2C)nc(-c2ccncc2)[nH+]1 ZINC000420277265 389976938 /nfs/dbraw/zinc/97/69/38/389976938.db2.gz QDBGHWZVTUUFPR-CQSZACIVSA-N 2 2 298.394 0.584 20 0 CCADLP C[C@H](O)CNc1cc(NC[C@H]2CCC[C@H]([NH3+])C2)[nH+]cn1 ZINC000420279102 389977547 /nfs/dbraw/zinc/97/75/47/389977547.db2.gz JQFBDRBEIAZRPP-SRVKXCTJSA-N 2 2 279.388 0.621 20 0 CCADLP C[C@H](O)CNc1cc(NC[C@H]2CCC[C@H]([NH3+])C2)nc[nH+]1 ZINC000420279102 389977548 /nfs/dbraw/zinc/97/75/48/389977548.db2.gz JQFBDRBEIAZRPP-SRVKXCTJSA-N 2 2 279.388 0.621 20 0 CCADLP COc1ccccc1CCC[N@H+](CC[NH3+])CCO ZINC000420302448 389980069 /nfs/dbraw/zinc/98/00/69/389980069.db2.gz GHDIOBBNHMQSQJ-UHFFFAOYSA-N 2 2 252.358 0.881 20 0 CCADLP COc1ccccc1CCC[N@@H+](CC[NH3+])CCO ZINC000420302448 389980070 /nfs/dbraw/zinc/98/00/70/389980070.db2.gz GHDIOBBNHMQSQJ-UHFFFAOYSA-N 2 2 252.358 0.881 20 0 CCADLP COC(=O)c1sccc1NC(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000420303185 389980664 /nfs/dbraw/zinc/98/06/64/389980664.db2.gz HJQVOHGAZNGUKE-UHFFFAOYSA-N 2 2 297.380 0.944 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420305815 389980808 /nfs/dbraw/zinc/98/08/08/389980808.db2.gz KMUPZUSZLOOAHX-GJZGRUSLSA-N 3 2 294.443 0.272 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420305815 389980810 /nfs/dbraw/zinc/98/08/10/389980810.db2.gz KMUPZUSZLOOAHX-GJZGRUSLSA-N 3 2 294.443 0.272 20 0 CCADLP O=C1[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCCN1CC(F)(F)F ZINC000420318783 389982816 /nfs/dbraw/zinc/98/28/16/389982816.db2.gz WKPDYLRSRFLFFX-OUAUKWLOSA-N 2 2 291.317 0.691 20 0 CCADLP O=C1[C@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCCN1CC(F)(F)F ZINC000420318783 389982817 /nfs/dbraw/zinc/98/28/17/389982817.db2.gz WKPDYLRSRFLFFX-OUAUKWLOSA-N 2 2 291.317 0.691 20 0 CCADLP C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000420317548 389982968 /nfs/dbraw/zinc/98/29/68/389982968.db2.gz VBMDTFLXBMKDFB-IKGGRYGDSA-N 3 2 291.439 0.991 20 0 CCADLP C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000420317548 389982969 /nfs/dbraw/zinc/98/29/69/389982969.db2.gz VBMDTFLXBMKDFB-IKGGRYGDSA-N 3 2 291.439 0.991 20 0 CCADLP Cc1cccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H](O)C[NH3+])c1C ZINC000420350526 389988179 /nfs/dbraw/zinc/98/81/79/389988179.db2.gz HFACJHZQGZTNOF-STQMWFEESA-N 2 2 279.384 0.882 20 0 CCADLP Cc1cccc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])c1C ZINC000420350526 389988181 /nfs/dbraw/zinc/98/81/81/389988181.db2.gz HFACJHZQGZTNOF-STQMWFEESA-N 2 2 279.384 0.882 20 0 CCADLP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420351485 389989042 /nfs/dbraw/zinc/98/90/42/389989042.db2.gz KGCKHBBMNLKMIE-YPMHNXCESA-N 2 2 271.405 0.417 20 0 CCADLP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420351485 389989044 /nfs/dbraw/zinc/98/90/44/389989044.db2.gz KGCKHBBMNLKMIE-YPMHNXCESA-N 2 2 271.405 0.417 20 0 CCADLP C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420351815 389989371 /nfs/dbraw/zinc/98/93/71/389989371.db2.gz LBDJCRHYQNWHFM-CABZTGNLSA-N 2 2 269.320 0.404 20 0 CCADLP C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420351815 389989372 /nfs/dbraw/zinc/98/93/72/389989372.db2.gz LBDJCRHYQNWHFM-CABZTGNLSA-N 2 2 269.320 0.404 20 0 CCADLP CC[C@@H](C(=O)NC[C@H](C)[NH+](C)C)[N@@H+]1CCO[C@H](CC)C1 ZINC000448678053 389990856 /nfs/dbraw/zinc/99/08/56/389990856.db2.gz RFSVTIPDKCAVGZ-MJBXVCDLSA-N 2 2 285.432 0.942 20 0 CCADLP CC[C@@H](C(=O)NC[C@H](C)[NH+](C)C)[N@H+]1CCO[C@H](CC)C1 ZINC000448678053 389990858 /nfs/dbraw/zinc/99/08/58/389990858.db2.gz RFSVTIPDKCAVGZ-MJBXVCDLSA-N 2 2 285.432 0.942 20 0 CCADLP CC1(C)NC(=O)CC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449397148 389993549 /nfs/dbraw/zinc/99/35/49/389993549.db2.gz OLUFSYSEGRPKOR-STQMWFEESA-N 2 2 283.416 0.480 20 0 CCADLP CC1(C)NC(=O)CC[C@@H]1[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449397148 389993551 /nfs/dbraw/zinc/99/35/51/389993551.db2.gz OLUFSYSEGRPKOR-STQMWFEESA-N 2 2 283.416 0.480 20 0 CCADLP C[NH2+]CCC[N@@H+]1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000420377501 389994170 /nfs/dbraw/zinc/99/41/70/389994170.db2.gz SBDREDZPWIMQFS-LBPRGKRZSA-N 2 2 289.387 0.244 20 0 CCADLP C[NH2+]CCC[N@H+]1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000420377501 389994173 /nfs/dbraw/zinc/99/41/73/389994173.db2.gz SBDREDZPWIMQFS-LBPRGKRZSA-N 2 2 289.387 0.244 20 0 CCADLP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420387098 389995712 /nfs/dbraw/zinc/99/57/12/389995712.db2.gz JLWKDEONAAJYLC-UONOGXRCSA-N 2 2 285.432 0.929 20 0 CCADLP CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420387098 389995715 /nfs/dbraw/zinc/99/57/15/389995715.db2.gz JLWKDEONAAJYLC-UONOGXRCSA-N 2 2 285.432 0.929 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420406529 389998159 /nfs/dbraw/zinc/99/81/59/389998159.db2.gz UMPJGSUEVWZDOG-KBPBESRZSA-N 2 2 283.416 0.603 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420406529 389998161 /nfs/dbraw/zinc/99/81/61/389998161.db2.gz UMPJGSUEVWZDOG-KBPBESRZSA-N 2 2 283.416 0.603 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC000420419777 389999811 /nfs/dbraw/zinc/99/98/11/389999811.db2.gz XRGSASQDKYMJDO-SOUVJXGZSA-N 3 2 296.459 0.456 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC000420419777 389999812 /nfs/dbraw/zinc/99/98/12/389999812.db2.gz XRGSASQDKYMJDO-SOUVJXGZSA-N 3 2 296.459 0.456 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000453345696 390009802 /nfs/dbraw/zinc/00/98/02/390009802.db2.gz OKSSETGEWDPZBK-DMRZNYOFSA-N 2 2 279.428 0.922 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000453345696 390009804 /nfs/dbraw/zinc/00/98/04/390009804.db2.gz OKSSETGEWDPZBK-DMRZNYOFSA-N 2 2 279.428 0.922 20 0 CCADLP CCOCCNC(=O)C[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000440360755 390036084 /nfs/dbraw/zinc/03/60/84/390036084.db2.gz SFCQARRWBJBUBL-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP CCOCCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000440360755 390036086 /nfs/dbraw/zinc/03/60/86/390036086.db2.gz SFCQARRWBJBUBL-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP CCOCCNC(=O)C[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000440360755 390036088 /nfs/dbraw/zinc/03/60/88/390036088.db2.gz SFCQARRWBJBUBL-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP CCOCCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000440360755 390036089 /nfs/dbraw/zinc/03/60/89/390036089.db2.gz SFCQARRWBJBUBL-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP Cc1cc(C)c(CNC(=O)NC[C@@](C)(O)C[NH+](C)C)c[nH+]1 ZINC000459080779 390069219 /nfs/dbraw/zinc/06/92/19/390069219.db2.gz QFUDEGONGJMPQN-OAHLLOKOSA-N 2 2 294.399 0.810 20 0 CCADLP C[N@H+](CCn1cc(Cl)cn1)C1CC[NH+](CCO)CC1 ZINC000459335385 390072687 /nfs/dbraw/zinc/07/26/87/390072687.db2.gz NTFNVRLTHJFWRR-UHFFFAOYSA-N 2 2 286.807 0.925 20 0 CCADLP C[N@@H+](CCn1cc(Cl)cn1)C1CC[NH+](CCO)CC1 ZINC000459335385 390072688 /nfs/dbraw/zinc/07/26/88/390072688.db2.gz NTFNVRLTHJFWRR-UHFFFAOYSA-N 2 2 286.807 0.925 20 0 CCADLP Cc1cccnc1/C=C/C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000493135255 390119165 /nfs/dbraw/zinc/11/91/65/390119165.db2.gz BGVPSHMEGPZZPB-GFUIURDCSA-N 2 2 274.368 0.505 20 0 CCADLP Cc1cccnc1/C=C/C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000493135255 390119166 /nfs/dbraw/zinc/11/91/66/390119166.db2.gz BGVPSHMEGPZZPB-GFUIURDCSA-N 2 2 274.368 0.505 20 0 CCADLP Cc1nc(NCCC[NH+]2CCCC2)nc(N(C)C)[nH+]1 ZINC000489476109 390100556 /nfs/dbraw/zinc/10/05/56/390100556.db2.gz UFGWUFBWXZKCLQ-UHFFFAOYSA-N 2 2 264.377 0.566 20 0 CCADLP Cc1nc(N(C)C)nc(NCCC[NH+]2CCCC2)[nH+]1 ZINC000489476109 390100557 /nfs/dbraw/zinc/10/05/57/390100557.db2.gz UFGWUFBWXZKCLQ-UHFFFAOYSA-N 2 2 264.377 0.566 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000457733274 390049232 /nfs/dbraw/zinc/04/92/32/390049232.db2.gz ZWKXTMKLYRKYAI-OAHLLOKOSA-N 2 2 295.427 0.696 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000457733274 390049233 /nfs/dbraw/zinc/04/92/33/390049233.db2.gz ZWKXTMKLYRKYAI-OAHLLOKOSA-N 2 2 295.427 0.696 20 0 CCADLP CCCC[N@H+](C)CCNC(=O)NCCc1cn(C)c[nH+]1 ZINC000458400083 390057252 /nfs/dbraw/zinc/05/72/52/390057252.db2.gz ZPWATSUFJDDQFO-UHFFFAOYSA-N 2 2 281.404 0.994 20 0 CCADLP CCCC[N@@H+](C)CCNC(=O)NCCc1cn(C)c[nH+]1 ZINC000458400083 390057253 /nfs/dbraw/zinc/05/72/53/390057253.db2.gz ZPWATSUFJDDQFO-UHFFFAOYSA-N 2 2 281.404 0.994 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)Nc1cc[nH+]c(N2CCOCC2)n1 ZINC000579537944 390182903 /nfs/dbraw/zinc/18/29/03/390182903.db2.gz NLAOZGYGSGYLPQ-LBPRGKRZSA-N 2 2 288.355 0.432 20 0 CCADLP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000647832299 390184998 /nfs/dbraw/zinc/18/49/98/390184998.db2.gz XNGVQZRQDXMLFV-CHWSQXEVSA-N 2 2 283.416 0.648 20 0 CCADLP CCCCn1nnnc1C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000579574103 390185538 /nfs/dbraw/zinc/18/55/38/390185538.db2.gz ZFEYLVMQROAHCU-LLVKDONJSA-N 2 2 266.393 0.951 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)Cc2c[nH+]cn2C)CCO1 ZINC000579159366 390148014 /nfs/dbraw/zinc/14/80/14/390148014.db2.gz UMMHERUQWXVBIH-ZDUSSCGKSA-N 2 2 280.372 0.190 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000494288336 390163370 /nfs/dbraw/zinc/16/33/70/390163370.db2.gz RFVPHJAEBOJOSI-JSGCOSHPSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000494288336 390163372 /nfs/dbraw/zinc/16/33/72/390163372.db2.gz RFVPHJAEBOJOSI-JSGCOSHPSA-N 2 2 281.400 0.450 20 0 CCADLP Cc1ccncc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000579377519 390169617 /nfs/dbraw/zinc/16/96/17/390169617.db2.gz REAPENMKZIVWNX-QWHCGFSZSA-N 2 2 260.341 0.134 20 0 CCADLP Cc1ccncc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000579377519 390169621 /nfs/dbraw/zinc/16/96/21/390169621.db2.gz REAPENMKZIVWNX-QWHCGFSZSA-N 2 2 260.341 0.134 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)S(C)(=O)=O)[C@@H](C)C1 ZINC000536833227 390172008 /nfs/dbraw/zinc/17/20/08/390172008.db2.gz OIEADWQCMQAIRF-SRVKXCTJSA-N 2 2 262.419 0.739 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)S(C)(=O)=O)[C@@H](C)C1 ZINC000536833227 390172013 /nfs/dbraw/zinc/17/20/13/390172013.db2.gz OIEADWQCMQAIRF-SRVKXCTJSA-N 2 2 262.419 0.739 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CS(=O)(=O)CCO1 ZINC000539062627 390202183 /nfs/dbraw/zinc/20/21/83/390202183.db2.gz XNGGEGSZCWGOKA-LPWJVIDDSA-N 2 2 290.429 0.118 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CS(=O)(=O)CCO1 ZINC000539062627 390202188 /nfs/dbraw/zinc/20/21/88/390202188.db2.gz XNGGEGSZCWGOKA-LPWJVIDDSA-N 2 2 290.429 0.118 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000579718780 390202949 /nfs/dbraw/zinc/20/29/49/390202949.db2.gz BIGFRIZEZFMJBE-KGLIPLIRSA-N 2 2 294.399 0.749 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000579718779 390203084 /nfs/dbraw/zinc/20/30/84/390203084.db2.gz BIGFRIZEZFMJBE-KBPBESRZSA-N 2 2 294.399 0.749 20 0 CCADLP C[C@H]1C[N@H+](CCOCC[NH3+])C[C@H](C(F)(F)F)O1 ZINC000647889290 390208752 /nfs/dbraw/zinc/20/87/52/390208752.db2.gz CFXFRSXEPRYIQI-DTWKUNHWSA-N 2 2 256.268 0.613 20 0 CCADLP C[C@H]1C[N@@H+](CCOCC[NH3+])C[C@H](C(F)(F)F)O1 ZINC000647889290 390208755 /nfs/dbraw/zinc/20/87/55/390208755.db2.gz CFXFRSXEPRYIQI-DTWKUNHWSA-N 2 2 256.268 0.613 20 0 CCADLP C[C@@H](NC(=O)[C@H]1CC[NH2+][C@H]1C)[C@H](C)[NH+]1CCOCC1 ZINC000579953127 390213405 /nfs/dbraw/zinc/21/34/05/390213405.db2.gz GLFDUWNTZCXIPF-VOAKCMCISA-N 2 2 269.389 0.210 20 0 CCADLP CN(CCC(=O)NCCc1[nH]cc[nH+]1)c1cc[nH+]cc1 ZINC000540925722 390229091 /nfs/dbraw/zinc/22/90/91/390229091.db2.gz SHKHFEGOMTZRFV-UHFFFAOYSA-N 2 2 273.340 0.990 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000647936243 390221970 /nfs/dbraw/zinc/22/19/70/390221970.db2.gz ABVYPJSOXAGOLM-KBPBESRZSA-N 2 2 285.432 0.979 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000647936243 390221973 /nfs/dbraw/zinc/22/19/73/390221973.db2.gz ABVYPJSOXAGOLM-KBPBESRZSA-N 2 2 285.432 0.979 20 0 CCADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC[C@H]2CCCO2)CC[C@H]1[NH3+] ZINC000647940167 390222865 /nfs/dbraw/zinc/22/28/65/390222865.db2.gz OKWVJXRPWZLFQC-AAVRWANBSA-N 2 2 283.416 0.729 20 0 CCADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)NC[C@H]2CCCO2)CC[C@H]1[NH3+] ZINC000647940167 390222866 /nfs/dbraw/zinc/22/28/66/390222866.db2.gz OKWVJXRPWZLFQC-AAVRWANBSA-N 2 2 283.416 0.729 20 0 CCADLP CC[C@H]1C[N@H+](CC(=O)NCC2CCC2)CC[C@@H]1[NH3+] ZINC000647937258 390222901 /nfs/dbraw/zinc/22/29/01/390222901.db2.gz UOUQTOWAHJCFIW-STQMWFEESA-N 2 2 253.390 0.962 20 0 CCADLP CC[C@H]1C[N@@H+](CC(=O)NCC2CCC2)CC[C@@H]1[NH3+] ZINC000647937258 390222903 /nfs/dbraw/zinc/22/29/03/390222903.db2.gz UOUQTOWAHJCFIW-STQMWFEESA-N 2 2 253.390 0.962 20 0 CCADLP CC1CC[NH+](CCNc2nc[nH+]c3c2OCCN3)CC1 ZINC000647856583 390194666 /nfs/dbraw/zinc/19/46/66/390194666.db2.gz JYTFZFHGWOMJEP-UHFFFAOYSA-N 2 2 277.372 0.537 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CC[C@H]2CCNC2=O)CC1 ZINC000647969414 390233348 /nfs/dbraw/zinc/23/33/48/390233348.db2.gz XMDWLQAHFIZMAS-GFCCVEGCSA-N 2 2 277.372 0.068 20 0 CCADLP CCC[N@@H+]1CC[C@H](CNc2nc[nH+]c(N)c2OC)C1 ZINC000583509896 390289242 /nfs/dbraw/zinc/28/92/42/390289242.db2.gz ADTAUOFAPZVRSS-SNVBAGLBSA-N 2 2 265.361 0.633 20 0 CCADLP CCC[N@H+]1CC[C@H](CNc2nc[nH+]c(N)c2OC)C1 ZINC000583509896 390289243 /nfs/dbraw/zinc/28/92/43/390289243.db2.gz ADTAUOFAPZVRSS-SNVBAGLBSA-N 2 2 265.361 0.633 20 0 CCADLP CCC[N@@H+]1CC[C@H](CNc2[nH+]cnc(N)c2OC)C1 ZINC000583509896 390289247 /nfs/dbraw/zinc/28/92/47/390289247.db2.gz ADTAUOFAPZVRSS-SNVBAGLBSA-N 2 2 265.361 0.633 20 0 CCADLP CCC[N@H+]1CC[C@H](CNc2[nH+]cnc(N)c2OC)C1 ZINC000583509896 390289249 /nfs/dbraw/zinc/28/92/49/390289249.db2.gz ADTAUOFAPZVRSS-SNVBAGLBSA-N 2 2 265.361 0.633 20 0 CCADLP CCN(C)C(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000583572415 390294332 /nfs/dbraw/zinc/29/43/32/390294332.db2.gz HCXDJEXIPWASBL-LLVKDONJSA-N 2 2 250.346 0.688 20 0 CCADLP CCN(C)C(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000583572415 390294333 /nfs/dbraw/zinc/29/43/33/390294333.db2.gz HCXDJEXIPWASBL-LLVKDONJSA-N 2 2 250.346 0.688 20 0 CCADLP CCOCC[C@H](O)C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000644556962 390252142 /nfs/dbraw/zinc/25/21/42/390252142.db2.gz VUIIYCXJIZRXLB-KGLIPLIRSA-N 2 2 256.390 0.848 20 0 CCADLP CCOCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000644556962 390252144 /nfs/dbraw/zinc/25/21/44/390252144.db2.gz VUIIYCXJIZRXLB-KGLIPLIRSA-N 2 2 256.390 0.848 20 0 CCADLP CCOCC[C@@H](O)C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000644556964 390252200 /nfs/dbraw/zinc/25/22/00/390252200.db2.gz VUIIYCXJIZRXLB-ZIAGYGMSSA-N 2 2 256.390 0.848 20 0 CCADLP CCOCC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000644556964 390252204 /nfs/dbraw/zinc/25/22/04/390252204.db2.gz VUIIYCXJIZRXLB-ZIAGYGMSSA-N 2 2 256.390 0.848 20 0 CCADLP C[C@H](CCCCO)[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000582062924 390256704 /nfs/dbraw/zinc/25/67/04/390256704.db2.gz HCIDNZIOYWRHAE-APIJFGDWSA-N 2 2 288.432 0.597 20 0 CCADLP C[C@H](CCCCO)[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000582062924 390256706 /nfs/dbraw/zinc/25/67/06/390256706.db2.gz HCIDNZIOYWRHAE-APIJFGDWSA-N 2 2 288.432 0.597 20 0 CCADLP OC[C@@H]1CCC[C@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000582175450 390265122 /nfs/dbraw/zinc/26/51/22/390265122.db2.gz NWROZLZGKFTRKN-FAAHXZRKSA-N 2 2 268.401 0.894 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NC(=O)NC)C[C@H]1C ZINC000408215588 285369688 /nfs/dbraw/zinc/36/96/88/285369688.db2.gz CZXMKHDNXBRHAV-GHMZBOCLSA-N 2 2 270.377 0.247 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NC(=O)NC)C[C@H]1C ZINC000408215588 285369689 /nfs/dbraw/zinc/36/96/89/285369689.db2.gz CZXMKHDNXBRHAV-GHMZBOCLSA-N 2 2 270.377 0.247 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NC(=O)NC)C[C@H]1C ZINC000408215588 285369690 /nfs/dbraw/zinc/36/96/90/285369690.db2.gz CZXMKHDNXBRHAV-GHMZBOCLSA-N 2 2 270.377 0.247 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NC(=O)NC)C[C@H]1C ZINC000408215588 285369691 /nfs/dbraw/zinc/36/96/91/285369691.db2.gz CZXMKHDNXBRHAV-GHMZBOCLSA-N 2 2 270.377 0.247 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cc(-c3cccnc3)n[nH]2)C1 ZINC000547272438 390366022 /nfs/dbraw/zinc/36/60/22/390366022.db2.gz KLMGBIFJLQXDQB-OAHLLOKOSA-N 2 2 287.367 0.628 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cc(-c3cccnc3)n[nH]2)C1 ZINC000547272438 390366025 /nfs/dbraw/zinc/36/60/25/390366025.db2.gz KLMGBIFJLQXDQB-OAHLLOKOSA-N 2 2 287.367 0.628 20 0 CCADLP [NH3+][C@H]1CCc2nc(NC(=O)[C@@H]3CSC[NH2+]3)sc2C1 ZINC000648137464 390304331 /nfs/dbraw/zinc/30/43/31/390304331.db2.gz VWFIRBMIANNQCS-XPUUQOCRSA-N 2 2 284.410 0.560 20 0 CCADLP C[N@@H+]1CCN(C(=O)Nc2cccc3c2CCO3)[C@H](C[NH3+])C1 ZINC000583740939 390306296 /nfs/dbraw/zinc/30/62/96/390306296.db2.gz HVPBPINKBRTQRX-LLVKDONJSA-N 2 2 290.367 0.728 20 0 CCADLP C[N@H+]1CCN(C(=O)Nc2cccc3c2CCO3)[C@H](C[NH3+])C1 ZINC000583740939 390306301 /nfs/dbraw/zinc/30/63/01/390306301.db2.gz HVPBPINKBRTQRX-LLVKDONJSA-N 2 2 290.367 0.728 20 0 CCADLP C[C@H](CC(=O)N[C@@H](C)CN1CC[NH+](C)CC1)n1cc[nH+]c1 ZINC000583876442 390320754 /nfs/dbraw/zinc/32/07/54/390320754.db2.gz RYWTXDRKNOIMIM-UONOGXRCSA-N 2 2 293.415 0.586 20 0 CCADLP Nc1ccc(NC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)c[nH+]1 ZINC000583935115 390325429 /nfs/dbraw/zinc/32/54/29/390325429.db2.gz PQSQODOJOFWTMZ-GFCCVEGCSA-N 2 2 286.339 0.867 20 0 CCADLP CN1C(=O)C[C@@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)c2ccccc21 ZINC000545867051 390333073 /nfs/dbraw/zinc/33/30/73/390333073.db2.gz LMVYCQDCPDMTCO-CZUORRHYSA-N 2 2 289.379 0.750 20 0 CCADLP CN1C(=O)C[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)c2ccccc21 ZINC000545867051 390333074 /nfs/dbraw/zinc/33/30/74/390333074.db2.gz LMVYCQDCPDMTCO-CZUORRHYSA-N 2 2 289.379 0.750 20 0 CCADLP COc1c(O)cccc1CN1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000584351007 390338605 /nfs/dbraw/zinc/33/86/05/390338605.db2.gz MHUQJCFNWMVNQJ-GFCCVEGCSA-N 2 2 265.357 0.476 20 0 CCADLP COc1c(O)cccc1CN1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000584351007 390338608 /nfs/dbraw/zinc/33/86/08/390338608.db2.gz MHUQJCFNWMVNQJ-GFCCVEGCSA-N 2 2 265.357 0.476 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2CC[C@@H](n3cncn3)C2)n1C ZINC000644902565 390342266 /nfs/dbraw/zinc/34/22/66/390342266.db2.gz KEGPCXQWLIVBQZ-LLVKDONJSA-N 2 2 275.360 0.525 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2CC[C@@H](n3cncn3)C2)n1C ZINC000644902565 390342272 /nfs/dbraw/zinc/34/22/72/390342272.db2.gz KEGPCXQWLIVBQZ-LLVKDONJSA-N 2 2 275.360 0.525 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@H]2CCCC[NH2+]C2)CCO1 ZINC000584459595 390346290 /nfs/dbraw/zinc/34/62/90/390346290.db2.gz ZJDJGMNSWSLRBU-UONOGXRCSA-N 2 2 298.431 0.539 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2CCCC[NH2+]C2)CCO1 ZINC000584459595 390346293 /nfs/dbraw/zinc/34/62/93/390346293.db2.gz ZJDJGMNSWSLRBU-UONOGXRCSA-N 2 2 298.431 0.539 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000584477526 390348439 /nfs/dbraw/zinc/34/84/39/390348439.db2.gz KFBPIHQJYAHLSC-STQMWFEESA-N 2 2 271.405 0.731 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000584477526 390348442 /nfs/dbraw/zinc/34/84/42/390348442.db2.gz KFBPIHQJYAHLSC-STQMWFEESA-N 2 2 271.405 0.731 20 0 CCADLP CC[NH+]1CCC([N@H+](C)C[C@H]2CN(C)C(=O)O2)CC1 ZINC000496777475 390362422 /nfs/dbraw/zinc/36/24/22/390362422.db2.gz MJABCGBOMRHVGV-LBPRGKRZSA-N 2 2 255.362 0.853 20 0 CCADLP CC[NH+]1CCC([N@@H+](C)C[C@H]2CN(C)C(=O)O2)CC1 ZINC000496777475 390362424 /nfs/dbraw/zinc/36/24/24/390362424.db2.gz MJABCGBOMRHVGV-LBPRGKRZSA-N 2 2 255.362 0.853 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCCC[NH+]1CCOCC1 ZINC000547863192 390405669 /nfs/dbraw/zinc/40/56/69/390405669.db2.gz AIRRPBXLBBRXMQ-UHFFFAOYSA-N 2 2 280.372 0.191 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648884488 390433856 /nfs/dbraw/zinc/43/38/56/390433856.db2.gz GRZKKACULJEJNS-MGPQQGTHSA-N 2 2 283.416 0.506 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648884488 390433859 /nfs/dbraw/zinc/43/38/59/390433859.db2.gz GRZKKACULJEJNS-MGPQQGTHSA-N 2 2 283.416 0.506 20 0 CCADLP CN(CC[N@H+](C)C1CC1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000547675515 390390639 /nfs/dbraw/zinc/39/06/39/390390639.db2.gz KFEDQFZUFYEZFM-GFCCVEGCSA-N 2 2 291.399 0.934 20 0 CCADLP CN(CC[N@@H+](C)C1CC1)C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000547675515 390390640 /nfs/dbraw/zinc/39/06/40/390390640.db2.gz KFEDQFZUFYEZFM-GFCCVEGCSA-N 2 2 291.399 0.934 20 0 CCADLP COC(=O)N1CC([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000496958571 390393056 /nfs/dbraw/zinc/39/30/56/390393056.db2.gz PKCXOBJABWBCBR-UHFFFAOYSA-N 2 2 253.346 0.653 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000517934039 390491756 /nfs/dbraw/zinc/49/17/56/390491756.db2.gz PNHSFFWEVHXZNF-MNOVXSKESA-N 2 2 286.339 0.390 20 0 CCADLP [NH3+][C@@H]1CCc2ncc(NC(=O)[C@H]3CSC[NH2+]3)cc2C1 ZINC000519402989 390499034 /nfs/dbraw/zinc/49/90/34/390499034.db2.gz OCWYEVHEGCTXNY-BXKDBHETSA-N 2 2 278.381 0.499 20 0 CCADLP [NH3+]CCOCC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000645813474 390501519 /nfs/dbraw/zinc/50/15/19/390501519.db2.gz UEULELRDTQNZSU-JTQLQIEISA-N 2 2 252.318 0.439 20 0 CCADLP O=C(C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)NC1CCCC1 ZINC000643469810 390450920 /nfs/dbraw/zinc/45/09/20/390450920.db2.gz VCJRFNBNHDGMGN-ZFWWWQNUSA-N 2 2 281.400 0.402 20 0 CCADLP COC(=O)N1CC([NH2+][C@H](C)c2c[nH+]ccc2N)C1 ZINC000497307463 390454520 /nfs/dbraw/zinc/45/45/20/390454520.db2.gz VMKBNQOJHPYWNT-MRVPVSSYSA-N 2 2 250.302 0.595 20 0 CCADLP COCC[N@H+](C)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000497317453 390455406 /nfs/dbraw/zinc/45/54/06/390455406.db2.gz ZAZXITKPHRWJMA-AWEZNQCLSA-N 2 2 283.372 0.439 20 0 CCADLP COCC[N@@H+](C)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000497317453 390455409 /nfs/dbraw/zinc/45/54/09/390455409.db2.gz ZAZXITKPHRWJMA-AWEZNQCLSA-N 2 2 283.372 0.439 20 0 CCADLP CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643506944 390457105 /nfs/dbraw/zinc/45/71/05/390457105.db2.gz NGAWYCLDFNKPMB-VXGBXAGGSA-N 2 2 260.403 0.684 20 0 CCADLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000643529271 390460635 /nfs/dbraw/zinc/46/06/35/390460635.db2.gz XYTQXOYYPPQEOQ-QWRGUYRKSA-N 2 2 285.413 0.935 20 0 CCADLP CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537701 390461438 /nfs/dbraw/zinc/46/14/38/390461438.db2.gz OKSVHCOIIJKCHZ-YFKTTZPYSA-N 2 2 278.393 0.632 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C(C)(C)O ZINC000514795259 390469416 /nfs/dbraw/zinc/46/94/16/390469416.db2.gz BRAVQBILQAEYTC-STQMWFEESA-N 2 2 274.405 0.161 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C(C)(C)O ZINC000514795259 390469418 /nfs/dbraw/zinc/46/94/18/390469418.db2.gz BRAVQBILQAEYTC-STQMWFEESA-N 2 2 274.405 0.161 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1C(C)(C)O ZINC000514795259 390469419 /nfs/dbraw/zinc/46/94/19/390469419.db2.gz BRAVQBILQAEYTC-STQMWFEESA-N 2 2 274.405 0.161 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1C(C)(C)O ZINC000514795259 390469422 /nfs/dbraw/zinc/46/94/22/390469422.db2.gz BRAVQBILQAEYTC-STQMWFEESA-N 2 2 274.405 0.161 20 0 CCADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CC[C@@H]2CCNC2=O)CC1 ZINC000516085523 390479125 /nfs/dbraw/zinc/47/91/25/390479125.db2.gz KZZBMUQOESZIDR-KGLIPLIRSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CC[C@@H]2CCNC2=O)CC1 ZINC000516085523 390479126 /nfs/dbraw/zinc/47/91/26/390479126.db2.gz KZZBMUQOESZIDR-KGLIPLIRSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]([NH3+])CC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000646033871 390579214 /nfs/dbraw/zinc/57/92/14/390579214.db2.gz TYNQGTKEAAMOHG-LLVKDONJSA-N 2 2 272.352 0.922 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)CC1([NH3+])CCC1 ZINC000645887120 390521474 /nfs/dbraw/zinc/52/14/74/390521474.db2.gz UMRYDKQSCAZJRB-UHFFFAOYSA-N 2 2 255.362 0.049 20 0 CCADLP COc1cc(CN2CC[N@H+](C)C[C@H]2C[NH3+])cc(OC)c1O ZINC000519659051 390526069 /nfs/dbraw/zinc/52/60/69/390526069.db2.gz WBBZIJSVRGSYMN-GFCCVEGCSA-N 2 2 295.383 0.484 20 0 CCADLP COc1cc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])cc(OC)c1O ZINC000519659051 390526074 /nfs/dbraw/zinc/52/60/74/390526074.db2.gz WBBZIJSVRGSYMN-GFCCVEGCSA-N 2 2 295.383 0.484 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+](C)CCCc2c[nH+]cn2C)no1 ZINC000519759357 390538417 /nfs/dbraw/zinc/53/84/17/390538417.db2.gz NGAGNVCEILACSY-UHFFFAOYSA-N 2 2 291.355 0.642 20 0 CCADLP Cc1cc(NC(=O)C[N@H+](C)CCCc2c[nH+]cn2C)no1 ZINC000519759357 390538420 /nfs/dbraw/zinc/53/84/20/390538420.db2.gz NGAGNVCEILACSY-UHFFFAOYSA-N 2 2 291.355 0.642 20 0 CCADLP C[N@H+]1CCN(C(=O)NC2CCSCC2)[C@@H](C[NH3+])C1 ZINC000519812514 390546871 /nfs/dbraw/zinc/54/68/71/390546871.db2.gz WQKMVVQTXXAXEL-NSHDSACASA-N 2 2 272.418 0.166 20 0 CCADLP CC1(OCC(=O)NCc2cn3ccccc3[nH+]2)C[NH2+]C1 ZINC000649279611 390547341 /nfs/dbraw/zinc/54/73/41/390547341.db2.gz CLCSFXYGPHHAHH-UHFFFAOYSA-N 2 2 274.324 0.329 20 0 CCADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCC(=O)N(C)C3=O)n2c1 ZINC000643802159 390558440 /nfs/dbraw/zinc/55/84/40/390558440.db2.gz LLBFWEIDKQFFEZ-GFCCVEGCSA-N 2 2 286.335 0.880 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC000520231114 390561546 /nfs/dbraw/zinc/56/15/46/390561546.db2.gz CZTKZCFCXXPEDZ-DCAQKATOSA-N 2 2 293.419 0.470 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)c2nc(N)nc(N(C)C)n2)C1 ZINC000520231114 390561550 /nfs/dbraw/zinc/56/15/50/390561550.db2.gz CZTKZCFCXXPEDZ-DCAQKATOSA-N 2 2 293.419 0.470 20 0 CCADLP C[C@H](CNC(=O)COC1(C)C[NH2+]C1)Cn1cc[nH+]c1 ZINC000649302546 390562527 /nfs/dbraw/zinc/56/25/27/390562527.db2.gz YLXNXGRJWGNWSL-LLVKDONJSA-N 2 2 266.345 0.014 20 0 CCADLP C[C@@H](CC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)n1cc[nH+]c1 ZINC000520415005 390574210 /nfs/dbraw/zinc/57/42/10/390574210.db2.gz CNHZKMBKSVHVMN-RWMBFGLXSA-N 2 2 262.357 0.854 20 0 CCADLP C[C@@H](CC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)n1cc[nH+]c1 ZINC000520415005 390574214 /nfs/dbraw/zinc/57/42/14/390574214.db2.gz CNHZKMBKSVHVMN-RWMBFGLXSA-N 2 2 262.357 0.854 20 0 CCADLP O=C([C@H]1CCC[NH2+]1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000649319511 390576667 /nfs/dbraw/zinc/57/66/67/390576667.db2.gz CEPJGLCHLRGQFQ-ZIAGYGMSSA-N 2 2 281.400 0.452 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3cnc(C4CC4)s3)CCN2C1=O ZINC000566491703 390622401 /nfs/dbraw/zinc/62/24/01/390622401.db2.gz WTUFYOIDVKOFEP-PWSUYJOCSA-N 2 2 292.408 0.764 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3cnc(C4CC4)s3)CCN2C1=O ZINC000566491703 390622405 /nfs/dbraw/zinc/62/24/05/390622405.db2.gz WTUFYOIDVKOFEP-PWSUYJOCSA-N 2 2 292.408 0.764 20 0 CCADLP Cc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cn1 ZINC000566491788 390622782 /nfs/dbraw/zinc/62/27/82/390622782.db2.gz YZSXEFHBQTUUCB-STQMWFEESA-N 2 2 260.341 0.134 20 0 CCADLP Cc1ccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cn1 ZINC000566491788 390622786 /nfs/dbraw/zinc/62/27/86/390622786.db2.gz YZSXEFHBQTUUCB-STQMWFEESA-N 2 2 260.341 0.134 20 0 CCADLP Cc1cc(NC(=O)C[N@H+](C2CC2)C2CC[NH2+]CC2)n(C)n1 ZINC000649408983 390624375 /nfs/dbraw/zinc/62/43/75/390624375.db2.gz QLYQERRRFARJJS-UHFFFAOYSA-N 2 2 291.399 0.883 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+](C2CC2)C2CC[NH2+]CC2)n(C)n1 ZINC000649408983 390624377 /nfs/dbraw/zinc/62/43/77/390624377.db2.gz QLYQERRRFARJJS-UHFFFAOYSA-N 2 2 291.399 0.883 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1CNC[C@@H](O)C[NH+]1CCOCC1 ZINC000566969967 390662208 /nfs/dbraw/zinc/66/22/08/390662208.db2.gz USEJMTMWTCPRDR-LSDHHAIUSA-N 2 2 285.432 0.144 20 0 CCADLP CCC[N@H+]1CCC[C@H]1CNC[C@@H](O)C[NH+]1CCOCC1 ZINC000566969967 390662210 /nfs/dbraw/zinc/66/22/10/390662210.db2.gz USEJMTMWTCPRDR-LSDHHAIUSA-N 2 2 285.432 0.144 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000566969967 390662214 /nfs/dbraw/zinc/66/22/14/390662214.db2.gz USEJMTMWTCPRDR-LSDHHAIUSA-N 2 2 285.432 0.144 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000566969967 390662217 /nfs/dbraw/zinc/66/22/17/390662217.db2.gz USEJMTMWTCPRDR-LSDHHAIUSA-N 2 2 285.432 0.144 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000646215806 390637588 /nfs/dbraw/zinc/63/75/88/390637588.db2.gz FEMHMBWMTULFMD-QNWHQSFQSA-N 2 2 284.404 0.275 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000646215806 390637591 /nfs/dbraw/zinc/63/75/91/390637591.db2.gz FEMHMBWMTULFMD-QNWHQSFQSA-N 2 2 284.404 0.275 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(C)=C(C)C1 ZINC000566805323 390649843 /nfs/dbraw/zinc/64/98/43/390649843.db2.gz PEAYGSXRBIYXJE-AWEZNQCLSA-N 2 2 256.390 0.968 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C)=C(C)C1 ZINC000566805323 390649844 /nfs/dbraw/zinc/64/98/44/390649844.db2.gz PEAYGSXRBIYXJE-AWEZNQCLSA-N 2 2 256.390 0.968 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC(C)=C(C)C1 ZINC000566805323 390649846 /nfs/dbraw/zinc/64/98/46/390649846.db2.gz PEAYGSXRBIYXJE-AWEZNQCLSA-N 2 2 256.390 0.968 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC(C)=C(C)C1 ZINC000566805323 390649847 /nfs/dbraw/zinc/64/98/47/390649847.db2.gz PEAYGSXRBIYXJE-AWEZNQCLSA-N 2 2 256.390 0.968 20 0 CCADLP Nc1ccc(NC(=O)[C@@H]2C[NH2+]CCC2(F)F)c[nH+]1 ZINC000644084494 390650399 /nfs/dbraw/zinc/65/03/99/390650399.db2.gz FDUZATMQYHKMSQ-QMMMGPOBSA-N 2 2 256.256 0.677 20 0 CCADLP O=C(C[C@H]1CC[NH2+]C1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000646264970 390653843 /nfs/dbraw/zinc/65/38/43/390653843.db2.gz HAJZIBWZZNKCMC-CHWSQXEVSA-N 2 2 274.368 0.776 20 0 CCADLP CC1(OCC(=O)NCc2ccn3cc[nH+]c3c2)C[NH2+]C1 ZINC000649336426 390592677 /nfs/dbraw/zinc/59/26/77/390592677.db2.gz STXKGEMDQUOBDJ-UHFFFAOYSA-N 2 2 274.324 0.329 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@H]1CCC[NH+](C)C1 ZINC000566413774 390599748 /nfs/dbraw/zinc/59/97/48/390599748.db2.gz JAXAGCSAMZBVKV-UONOGXRCSA-N 3 2 257.422 0.573 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@H]1CCC[NH+](C)C1 ZINC000566413774 390599752 /nfs/dbraw/zinc/59/97/52/390599752.db2.gz JAXAGCSAMZBVKV-UONOGXRCSA-N 3 2 257.422 0.573 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000566413774 390599757 /nfs/dbraw/zinc/59/97/57/390599757.db2.gz JAXAGCSAMZBVKV-UONOGXRCSA-N 3 2 257.422 0.573 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000566413774 390599763 /nfs/dbraw/zinc/59/97/63/390599763.db2.gz JAXAGCSAMZBVKV-UONOGXRCSA-N 3 2 257.422 0.573 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](OC)C(C)(C)C1 ZINC000566429557 390605216 /nfs/dbraw/zinc/60/52/16/390605216.db2.gz VPHDCYYFSHCWIO-ZIAGYGMSSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](OC)C(C)(C)C1 ZINC000566429557 390605220 /nfs/dbraw/zinc/60/52/20/390605220.db2.gz VPHDCYYFSHCWIO-ZIAGYGMSSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](OC)C(C)(C)C1 ZINC000566429557 390605221 /nfs/dbraw/zinc/60/52/21/390605221.db2.gz VPHDCYYFSHCWIO-ZIAGYGMSSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](OC)C(C)(C)C1 ZINC000566429557 390605225 /nfs/dbraw/zinc/60/52/25/390605225.db2.gz VPHDCYYFSHCWIO-ZIAGYGMSSA-N 2 2 288.432 0.672 20 0 CCADLP Cc1nnc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)[nH]1 ZINC000567544213 390703207 /nfs/dbraw/zinc/70/32/07/390703207.db2.gz CSHSXAGVNHIMMR-AWEZNQCLSA-N 2 2 292.431 0.713 20 0 CCADLP Cc1nnc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)[nH]1 ZINC000567544213 390703210 /nfs/dbraw/zinc/70/32/10/390703210.db2.gz CSHSXAGVNHIMMR-AWEZNQCLSA-N 2 2 292.431 0.713 20 0 CCADLP CNS(=O)(=O)CCC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000571389134 390733083 /nfs/dbraw/zinc/73/30/83/390733083.db2.gz CRBCNTVMWVFFGP-CHWSQXEVSA-N 2 2 289.445 0.532 20 0 CCADLP CNS(=O)(=O)CCC[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000571389134 390733084 /nfs/dbraw/zinc/73/30/84/390733084.db2.gz CRBCNTVMWVFFGP-CHWSQXEVSA-N 2 2 289.445 0.532 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000568193634 390712895 /nfs/dbraw/zinc/71/28/95/390712895.db2.gz OTDPXZAHFPWGJQ-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000568193634 390712897 /nfs/dbraw/zinc/71/28/97/390712897.db2.gz OTDPXZAHFPWGJQ-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP Cc1nc(NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)cc[nH+]1 ZINC000528128908 285385894 /nfs/dbraw/zinc/38/58/94/285385894.db2.gz FVGXDWOVUYPVFL-HNNXBMFYSA-N 2 2 292.383 0.235 20 0 CCADLP Cc1nc(NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)cc[nH+]1 ZINC000528128908 285385895 /nfs/dbraw/zinc/38/58/95/285385895.db2.gz FVGXDWOVUYPVFL-HNNXBMFYSA-N 2 2 292.383 0.235 20 0 CCADLP Cc1cccc(OCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000646835476 390726147 /nfs/dbraw/zinc/72/61/47/390726147.db2.gz MHTKPDYZSMYAAL-CYBMUJFWSA-N 2 2 277.368 0.475 20 0 CCADLP Cc1cccc(OCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000646835476 390726149 /nfs/dbraw/zinc/72/61/49/390726149.db2.gz MHTKPDYZSMYAAL-CYBMUJFWSA-N 2 2 277.368 0.475 20 0 CCADLP C[N@@H+]1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1(C)C ZINC000566983770 390664414 /nfs/dbraw/zinc/66/44/14/390664414.db2.gz PUNFYAPFFIFJSI-UHFFFAOYSA-N 2 2 253.390 0.881 20 0 CCADLP C[N@H+]1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1(C)C ZINC000566983770 390664416 /nfs/dbraw/zinc/66/44/16/390664416.db2.gz PUNFYAPFFIFJSI-UHFFFAOYSA-N 2 2 253.390 0.881 20 0 CCADLP CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567167134 390676680 /nfs/dbraw/zinc/67/66/80/390676680.db2.gz DOZJFHDLPCJBEQ-OCCSQVGLSA-N 2 2 253.390 0.977 20 0 CCADLP CC[C@@H](C)NC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000567167134 390676681 /nfs/dbraw/zinc/67/66/81/390676681.db2.gz DOZJFHDLPCJBEQ-OCCSQVGLSA-N 2 2 253.390 0.977 20 0 CCADLP COCCC[N@H+](C)CCNc1nc(C)[nH+]cc1C ZINC000567179749 390679008 /nfs/dbraw/zinc/67/90/08/390679008.db2.gz SSMJASQPYYSDLO-UHFFFAOYSA-N 2 2 252.362 0.896 20 0 CCADLP COCCC[N@@H+](C)CCNc1nc(C)[nH+]cc1C ZINC000567179749 390679009 /nfs/dbraw/zinc/67/90/09/390679009.db2.gz SSMJASQPYYSDLO-UHFFFAOYSA-N 2 2 252.362 0.896 20 0 CCADLP C[C@H](CC(=O)NC[C@H]1CCCC[N@@H+]1CCO)n1cc[nH+]c1 ZINC000567241753 390682326 /nfs/dbraw/zinc/68/23/26/390682326.db2.gz IKYQAYQCXQIVGX-ZIAGYGMSSA-N 2 2 294.399 0.797 20 0 CCADLP C[C@H](CC(=O)NC[C@H]1CCCC[N@H+]1CCO)n1cc[nH+]c1 ZINC000567241753 390682328 /nfs/dbraw/zinc/68/23/28/390682328.db2.gz IKYQAYQCXQIVGX-ZIAGYGMSSA-N 2 2 294.399 0.797 20 0 CCADLP c1cc(C[NH2+]C[C@@H]2C[NH2+]CCO2)n(-c2ccccc2)n1 ZINC000571771030 390751966 /nfs/dbraw/zinc/75/19/66/390751966.db2.gz UHDZGXYAIWCZQI-HNNXBMFYSA-N 2 2 272.352 0.950 20 0 CCADLP O=C(NCC1=CC[NH2+]CC1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000646976716 390752392 /nfs/dbraw/zinc/75/23/92/390752392.db2.gz FUWOSHBIQFVQBZ-UHFFFAOYSA-N 2 2 284.323 0.312 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000572249609 390774552 /nfs/dbraw/zinc/77/45/52/390774552.db2.gz QTPOGKCNWSORMK-CQSZACIVSA-N 2 2 271.405 0.147 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000572249609 390774554 /nfs/dbraw/zinc/77/45/54/390774554.db2.gz QTPOGKCNWSORMK-CQSZACIVSA-N 2 2 271.405 0.147 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528789724 390779081 /nfs/dbraw/zinc/77/90/81/390779081.db2.gz TYWPERIWCLJORI-VBHSOAQHSA-N 2 2 267.398 0.948 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528789724 390779083 /nfs/dbraw/zinc/77/90/83/390779083.db2.gz TYWPERIWCLJORI-VBHSOAQHSA-N 2 2 267.398 0.948 20 0 CCADLP C[NH2+][C@H](C)Cc1noc([C@@H]2CC[NH2+]CC2(F)F)n1 ZINC000647142932 390779721 /nfs/dbraw/zinc/77/97/21/390779721.db2.gz VMFZKQVIZDGBFG-SFYZADRCSA-N 2 2 260.288 0.932 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCC(F)(F)[C@H]1O ZINC000572474061 390784848 /nfs/dbraw/zinc/78/48/48/390784848.db2.gz JPWRMPMAHYTPQM-QCNOEVLYSA-N 2 2 278.343 0.892 20 0 CCADLP COCC[N@H+](C)CCCNc1nc(C)[nH+]cc1C ZINC000572542011 390789150 /nfs/dbraw/zinc/78/91/50/390789150.db2.gz QAMAEEFJOOMBBR-UHFFFAOYSA-N 2 2 252.362 0.896 20 0 CCADLP COCC[N@@H+](C)CCCNc1nc(C)[nH+]cc1C ZINC000572542011 390789153 /nfs/dbraw/zinc/78/91/53/390789153.db2.gz QAMAEEFJOOMBBR-UHFFFAOYSA-N 2 2 252.362 0.896 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+]CCCn2cc[nH+]c2)no1 ZINC000572742307 390801166 /nfs/dbraw/zinc/80/11/66/390801166.db2.gz IVMXKOZWZBJRCN-UHFFFAOYSA-N 2 2 277.328 0.610 20 0 CCADLP O=C(NCC1C[NH2+]C1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000646901665 390736044 /nfs/dbraw/zinc/73/60/44/390736044.db2.gz IYWPGTDGFKDZHO-UHFFFAOYSA-N 2 2 257.297 0.217 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1c2ccccc2C[C@@H]1O)C1CC1 ZINC000571524125 390739518 /nfs/dbraw/zinc/73/95/18/390739518.db2.gz RBXAIHHAVKCIOV-CWRNSKLLSA-N 2 2 276.380 0.689 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000528419554 390742167 /nfs/dbraw/zinc/74/21/67/390742167.db2.gz HLJQXGDOFBGIKN-LBPRGKRZSA-N 2 2 266.345 0.028 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000528419554 390742169 /nfs/dbraw/zinc/74/21/69/390742169.db2.gz HLJQXGDOFBGIKN-LBPRGKRZSA-N 2 2 266.345 0.028 20 0 CCADLP C[C@H](C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1)S(C)(=O)=O ZINC000578079693 390863414 /nfs/dbraw/zinc/86/34/14/390863414.db2.gz AFBZIWFRCYWACK-MNOVXSKESA-N 2 2 271.386 0.643 20 0 CCADLP C[C@H](C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1)S(C)(=O)=O ZINC000578079693 390863416 /nfs/dbraw/zinc/86/34/16/390863416.db2.gz AFBZIWFRCYWACK-MNOVXSKESA-N 2 2 271.386 0.643 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2CC23CCCC3)[C@@H](C[NH3+])C1 ZINC000578235925 390872577 /nfs/dbraw/zinc/87/25/77/390872577.db2.gz JOLIKJFIQTYVEE-RYUDHWBXSA-N 2 2 251.374 0.668 20 0 CCADLP C[N@@H+]1CCN(C(=O)COc2ccccc2F)[C@@H](C[NH3+])C1 ZINC000578321605 390876567 /nfs/dbraw/zinc/87/65/67/390876567.db2.gz NNNXQRLJLQFFMF-NSHDSACASA-N 2 2 281.331 0.306 20 0 CCADLP C[N@H+]1CCN(C(=O)COc2ccccc2F)[C@@H](C[NH3+])C1 ZINC000578321605 390876569 /nfs/dbraw/zinc/87/65/69/390876569.db2.gz NNNXQRLJLQFFMF-NSHDSACASA-N 2 2 281.331 0.306 20 0 CCADLP Cc1cc(C)c(CNC(=O)NC[C@H]2COCC[NH2+]2)c[nH+]1 ZINC000529330688 390810390 /nfs/dbraw/zinc/81/03/90/390810390.db2.gz LRYKKTFQOUSCTN-ZDUSSCGKSA-N 2 2 278.356 0.486 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@]2(C)CCC[NH2+]2)C[C@H](C)O1 ZINC000572962091 390813845 /nfs/dbraw/zinc/81/38/45/390813845.db2.gz LRZRSXILHGNFNI-GUTXKFCHSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@]2(C)CCC[NH2+]2)C[C@H](C)O1 ZINC000572962091 390813849 /nfs/dbraw/zinc/81/38/49/390813849.db2.gz LRZRSXILHGNFNI-GUTXKFCHSA-N 2 2 283.416 0.696 20 0 CCADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)NCc1cccnc1 ZINC000573689771 390821487 /nfs/dbraw/zinc/82/14/87/390821487.db2.gz SZURQQKHCBYTSC-GFCCVEGCSA-N 2 2 264.373 0.661 20 0 CCADLP Cc1nc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)nc(N(C)C)[nH+]1 ZINC000574907418 390823873 /nfs/dbraw/zinc/82/38/73/390823873.db2.gz DCAVZLWUHPRXJD-MNOVXSKESA-N 2 2 262.361 0.292 20 0 CCADLP Cc1nc(N(C)C)nc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)[nH+]1 ZINC000574907418 390823875 /nfs/dbraw/zinc/82/38/75/390823875.db2.gz DCAVZLWUHPRXJD-MNOVXSKESA-N 2 2 262.361 0.292 20 0 CCADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000647516158 390828895 /nfs/dbraw/zinc/82/88/95/390828895.db2.gz RJWLPOAJEWUCLV-JKSUJKDBSA-N 3 2 280.460 0.698 20 0 CCADLP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)C1 ZINC000647516158 390828898 /nfs/dbraw/zinc/82/88/98/390828898.db2.gz RJWLPOAJEWUCLV-JKSUJKDBSA-N 3 2 280.460 0.698 20 0 CCADLP COC[C@@H](C)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000647519139 390830312 /nfs/dbraw/zinc/83/03/12/390830312.db2.gz KRTMJTNHEQFWEP-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP COC[C@@H](C)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000647519139 390830316 /nfs/dbraw/zinc/83/03/16/390830316.db2.gz KRTMJTNHEQFWEP-STQMWFEESA-N 2 2 269.389 0.165 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000529454639 390833708 /nfs/dbraw/zinc/83/37/08/390833708.db2.gz GYXUMCOMQBWXSD-BETUJISGSA-N 2 2 280.372 0.105 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000529454639 390833712 /nfs/dbraw/zinc/83/37/12/390833712.db2.gz GYXUMCOMQBWXSD-BETUJISGSA-N 2 2 280.372 0.105 20 0 CCADLP [NH3+][C@H]1C[C@@H](C(=O)N2CCC[N@H+](Cc3cscn3)CC2)C1 ZINC000575181883 390833932 /nfs/dbraw/zinc/83/39/32/390833932.db2.gz JEPKIMWYDVZJRP-TXEJJXNPSA-N 2 2 294.424 0.915 20 0 CCADLP [NH3+][C@H]1C[C@@H](C(=O)N2CCC[N@@H+](Cc3cscn3)CC2)C1 ZINC000575181883 390833935 /nfs/dbraw/zinc/83/39/35/390833935.db2.gz JEPKIMWYDVZJRP-TXEJJXNPSA-N 2 2 294.424 0.915 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)[NH2+]C[C@@H](O)C(F)(F)F ZINC000647530405 390834449 /nfs/dbraw/zinc/83/44/49/390834449.db2.gz FXCQXADGSJHBFU-VHSXEESVSA-N 2 2 272.311 0.592 20 0 CCADLP C[N@@H+]1CCN(Cc2ccc(N3CCCC3)nc2)[C@H](C[NH3+])C1 ZINC000647539286 390837553 /nfs/dbraw/zinc/83/75/53/390837553.db2.gz NRMVAKMSZXVHJK-OAHLLOKOSA-N 2 2 289.427 0.757 20 0 CCADLP C[N@H+]1CCN(Cc2ccc(N3CCCC3)nc2)[C@H](C[NH3+])C1 ZINC000647539286 390837556 /nfs/dbraw/zinc/83/75/56/390837556.db2.gz NRMVAKMSZXVHJK-OAHLLOKOSA-N 2 2 289.427 0.757 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2ccc(F)cn2)C1 ZINC000529537886 390841034 /nfs/dbraw/zinc/84/10/34/390841034.db2.gz IIQGEKGRBZGEIS-GFCCVEGCSA-N 2 2 294.374 0.898 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc(F)cn2)C1 ZINC000529537886 390841035 /nfs/dbraw/zinc/84/10/35/390841035.db2.gz IIQGEKGRBZGEIS-GFCCVEGCSA-N 2 2 294.374 0.898 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COC2CCOCC2)C[N@@H+]1C1CC1 ZINC000578435714 390883085 /nfs/dbraw/zinc/88/30/85/390883085.db2.gz NHOBFJONDFXFHK-IPYPFGDCSA-N 2 2 298.427 0.758 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COC2CCOCC2)C[N@H+]1C1CC1 ZINC000578435714 390883087 /nfs/dbraw/zinc/88/30/87/390883087.db2.gz NHOBFJONDFXFHK-IPYPFGDCSA-N 2 2 298.427 0.758 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533866264 390887294 /nfs/dbraw/zinc/88/72/94/390887294.db2.gz WMOIPTQLOMHBDL-JTQLQIEISA-N 2 2 279.344 0.055 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533866264 390887297 /nfs/dbraw/zinc/88/72/97/390887297.db2.gz WMOIPTQLOMHBDL-JTQLQIEISA-N 2 2 279.344 0.055 20 0 CCADLP COCCC[NH+]1CCC([NH2+]C[C@H](C)S(C)(=O)=O)CC1 ZINC000578521530 390889475 /nfs/dbraw/zinc/88/94/75/390889475.db2.gz CATIFRBAAORSGU-LBPRGKRZSA-N 2 2 292.445 0.510 20 0 CCADLP C[C@H](CC(=O)N1CCC[N@H+](C)CC1)n1cc[nH+]c1 ZINC000578537602 390890681 /nfs/dbraw/zinc/89/06/81/390890681.db2.gz GILSUUGTNMQOHL-GFCCVEGCSA-N 2 2 250.346 0.998 20 0 CCADLP C[C@H](CC(=O)N1CCC[N@@H+](C)CC1)n1cc[nH+]c1 ZINC000578537602 390890683 /nfs/dbraw/zinc/89/06/83/390890683.db2.gz GILSUUGTNMQOHL-GFCCVEGCSA-N 2 2 250.346 0.998 20 0 CCADLP CCOC[C@H](O)C[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000578545569 390891398 /nfs/dbraw/zinc/89/13/98/390891398.db2.gz VYZWYVMRUVJPLT-UKRRQHHQSA-N 2 2 286.416 0.569 20 0 CCADLP CCOC[C@H](O)C[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000578545569 390891400 /nfs/dbraw/zinc/89/14/00/390891400.db2.gz VYZWYVMRUVJPLT-UKRRQHHQSA-N 2 2 286.416 0.569 20 0 CCADLP Cc1cc(NC(=O)NCC[N@H+]2CCOC[C@H]2C)c(C)c[nH+]1 ZINC000534324003 390893228 /nfs/dbraw/zinc/89/32/28/390893228.db2.gz IQXRXXWKRQVZHK-CYBMUJFWSA-N 2 2 292.383 0.963 20 0 CCADLP Cc1cc(NC(=O)NCC[N@@H+]2CCOC[C@H]2C)c(C)c[nH+]1 ZINC000534324003 390893230 /nfs/dbraw/zinc/89/32/30/390893230.db2.gz IQXRXXWKRQVZHK-CYBMUJFWSA-N 2 2 292.383 0.963 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000578638879 390895765 /nfs/dbraw/zinc/89/57/65/390895765.db2.gz LJGJLJKTNTWBNY-WDEREUQCSA-N 2 2 284.360 0.267 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000578638879 390895767 /nfs/dbraw/zinc/89/57/67/390895767.db2.gz LJGJLJKTNTWBNY-WDEREUQCSA-N 2 2 284.360 0.267 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000578638879 390895768 /nfs/dbraw/zinc/89/57/68/390895768.db2.gz LJGJLJKTNTWBNY-WDEREUQCSA-N 2 2 284.360 0.267 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000578638879 390895770 /nfs/dbraw/zinc/89/57/70/390895770.db2.gz LJGJLJKTNTWBNY-WDEREUQCSA-N 2 2 284.360 0.267 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000578638879 390895771 /nfs/dbraw/zinc/89/57/71/390895771.db2.gz LJGJLJKTNTWBNY-WDEREUQCSA-N 2 2 284.360 0.267 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000578638879 390895773 /nfs/dbraw/zinc/89/57/73/390895773.db2.gz LJGJLJKTNTWBNY-WDEREUQCSA-N 2 2 284.360 0.267 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000578638879 390895774 /nfs/dbraw/zinc/89/57/74/390895774.db2.gz LJGJLJKTNTWBNY-WDEREUQCSA-N 2 2 284.360 0.267 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000578638879 390895775 /nfs/dbraw/zinc/89/57/75/390895775.db2.gz LJGJLJKTNTWBNY-WDEREUQCSA-N 2 2 284.360 0.267 20 0 CCADLP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC[C@H](O)C[NH+]1CCOCC1 ZINC000578858903 390904506 /nfs/dbraw/zinc/90/45/06/390904506.db2.gz ATZPNUMPNXFJHG-OAGGEKHMSA-N 2 2 299.459 0.532 20 0 CCADLP C[C@@H](NC(=O)c1ccnc(C[NH3+])c1)[C@@H](C)[NH+]1CCOCC1 ZINC000361623455 533307053 /nfs/dbraw/zinc/30/70/53/533307053.db2.gz VCENYLJMYKMWGF-VXGBXAGGSA-N 2 2 292.383 0.379 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2cnn(C)c2)CC[N@@H+]1C ZINC000358375019 533657320 /nfs/dbraw/zinc/65/73/20/533657320.db2.gz GWMFSTFAYMAWPR-KGYLQXTDSA-N 2 2 252.362 0.526 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2cnn(C)c2)CC[N@H+]1C ZINC000358375019 533657330 /nfs/dbraw/zinc/65/73/30/533657330.db2.gz GWMFSTFAYMAWPR-KGYLQXTDSA-N 2 2 252.362 0.526 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)c1nnnn1C ZINC000189733855 130017302 /nfs/dbraw/zinc/01/73/02/130017302.db2.gz KRVZVHKXUUMDMT-SNVBAGLBSA-N 2 2 263.349 0.798 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)c1nnnn1C ZINC000189733855 130017304 /nfs/dbraw/zinc/01/73/04/130017304.db2.gz KRVZVHKXUUMDMT-SNVBAGLBSA-N 2 2 263.349 0.798 20 0 CCADLP Cc1cncc(C[NH+]2CCN(C(=O)C[NH+](C)C)CC2)c1 ZINC000189783184 130022036 /nfs/dbraw/zinc/02/20/36/130022036.db2.gz KEXJIIMALAGQOY-UHFFFAOYSA-N 2 2 276.384 0.596 20 0 CCADLP C[C@H]1CN(C(=O)C[NH2+]CC2([NH3+])CCC2)C[C@H](C)O1 ZINC000342129198 130287719 /nfs/dbraw/zinc/28/77/19/130287719.db2.gz BRRKUPDULFBOGB-QWRGUYRKSA-N 2 2 255.362 0.093 20 0 CCADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000192099195 130370315 /nfs/dbraw/zinc/37/03/15/130370315.db2.gz RSUOBLBCWVJCBE-QWRGUYRKSA-N 2 2 294.399 0.919 20 0 CCADLP O[C@H](C[NH2+]Cc1ccc(F)cn1)C[NH+]1CCCC1 ZINC000529529364 285475127 /nfs/dbraw/zinc/47/51/27/285475127.db2.gz AMOZRXTVHAWFMJ-CYBMUJFWSA-N 2 2 253.321 0.767 20 0 CCADLP COCC[NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000237338328 131025025 /nfs/dbraw/zinc/02/50/25/131025025.db2.gz LDSFJLKBHJWTGW-UHFFFAOYSA-N 2 2 288.351 0.838 20 0 CCADLP C[C@@H]1CN(c2ccc(CNC(=O)CCC[NH3+])c[nH+]2)CCO1 ZINC000237526939 131038661 /nfs/dbraw/zinc/03/86/61/131038661.db2.gz AHZDKVQUWPYKOH-GFCCVEGCSA-N 2 2 292.383 0.662 20 0 CCADLP [NH3+]C[C@H]1CC[C@@H](C(=O)NCCCNc2cccc[nH+]2)O1 ZINC000261929576 131178133 /nfs/dbraw/zinc/17/81/33/131178133.db2.gz ZSLJSAREILCUEU-NEPJUHHUSA-N 2 2 278.356 0.506 20 0 CCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)[C@H]1CCC[NH2+]1 ZINC000262507668 131227708 /nfs/dbraw/zinc/22/77/08/131227708.db2.gz ANQXLEOOQMSFSL-NWDGAFQWSA-N 2 2 260.341 0.529 20 0 CCADLP O=C(C[NH2+]CC1CC1)NCCc1cn2ccccc2[nH+]1 ZINC000262668001 131250115 /nfs/dbraw/zinc/25/01/15/131250115.db2.gz QKCPTFNJDOKRCP-UHFFFAOYSA-N 2 2 272.352 0.993 20 0 CCADLP COCC[N@H+](C)CCNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000269036321 132101922 /nfs/dbraw/zinc/10/19/22/132101922.db2.gz UXKCPESRCOYNPD-UHFFFAOYSA-N 2 2 297.403 0.493 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000269036321 132101923 /nfs/dbraw/zinc/10/19/23/132101923.db2.gz UXKCPESRCOYNPD-UHFFFAOYSA-N 2 2 297.403 0.493 20 0 CCADLP [NH3+]CCCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000269145671 132120326 /nfs/dbraw/zinc/12/03/26/132120326.db2.gz YZNCISXVIOSKRH-UHFFFAOYSA-N 2 2 277.368 0.597 20 0 CCADLP C[C@]1(C(=O)NCc2cn3c([nH+]2)CCCC3)CC[NH2+]C1 ZINC000269226739 132136605 /nfs/dbraw/zinc/13/66/05/132136605.db2.gz AERPNAGAXZGMIK-AWEZNQCLSA-N 2 2 262.357 0.835 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@@H]2CCC[NH2+]C2)c[nH+]1 ZINC000269235848 132138822 /nfs/dbraw/zinc/13/88/22/132138822.db2.gz MEEILOBPXUSFBU-GFCCVEGCSA-N 2 2 262.357 0.763 20 0 CCADLP Cc1[nH+]ccn1CCCCNC(=O)[C@@H]1CSC[NH2+]1 ZINC000269244456 132141278 /nfs/dbraw/zinc/14/12/78/132141278.db2.gz CUPCJLOJMIODHT-NSHDSACASA-N 2 2 268.386 0.750 20 0 CCADLP CCOC1CCC([NH2+]CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000657855717 413068606 /nfs/dbraw/zinc/06/86/06/413068606.db2.gz GJBOHYYZLRUYLY-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP CO[C@H]1CC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000271210640 135093025 /nfs/dbraw/zinc/09/30/25/135093025.db2.gz YEVFBJROOZVLEO-AWEZNQCLSA-N 2 2 291.399 0.449 20 0 CCADLP CO[C@H]1CC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000271210640 135093027 /nfs/dbraw/zinc/09/30/27/135093027.db2.gz YEVFBJROOZVLEO-AWEZNQCLSA-N 2 2 291.399 0.449 20 0 CCADLP O=C1NCC[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000658055589 413098113 /nfs/dbraw/zinc/09/81/13/413098113.db2.gz QCENYPRRVNYRQY-STQMWFEESA-N 2 2 267.373 0.108 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+](CCO)CCc1ccccc1)C1CC1 ZINC000685564313 545833201 /nfs/dbraw/zinc/83/32/01/545833201.db2.gz FGZQDBKRIVEAKZ-KRWDZBQOSA-N 2 2 292.423 0.979 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+](CCO)CCc1ccccc1)C1CC1 ZINC000685564313 545833205 /nfs/dbraw/zinc/83/32/05/545833205.db2.gz FGZQDBKRIVEAKZ-KRWDZBQOSA-N 2 2 292.423 0.979 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+](CCO)CCc1ccccc1)C1CC1 ZINC000685564313 545833210 /nfs/dbraw/zinc/83/32/10/545833210.db2.gz FGZQDBKRIVEAKZ-KRWDZBQOSA-N 2 2 292.423 0.979 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+](CCO)CCc1ccccc1)C1CC1 ZINC000685564313 545833214 /nfs/dbraw/zinc/83/32/14/545833214.db2.gz FGZQDBKRIVEAKZ-KRWDZBQOSA-N 2 2 292.423 0.979 20 0 CCADLP CC(C)[N@H+](C)CCC[NH2+][C@H](C)CS(C)(=O)=O ZINC000132108139 397414158 /nfs/dbraw/zinc/41/41/58/397414158.db2.gz 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CCADLP [NH3+]C[C@H]1C[N@H+](CCC(=O)NCC2CCCCC2)CCO1 ZINC000358122828 144154799 /nfs/dbraw/zinc/15/47/99/144154799.db2.gz MSMBTOBBZGPLRK-AWEZNQCLSA-N 2 2 283.416 0.733 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CCC(=O)NCC2CCCCC2)CCO1 ZINC000358122828 144154801 /nfs/dbraw/zinc/15/48/01/144154801.db2.gz MSMBTOBBZGPLRK-AWEZNQCLSA-N 2 2 283.416 0.733 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](CCC(=O)NCC2CCCCC2)CCO1 ZINC000358122832 144154834 /nfs/dbraw/zinc/15/48/34/144154834.db2.gz MSMBTOBBZGPLRK-CQSZACIVSA-N 2 2 283.416 0.733 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)NCC2CCCCC2)CCO1 ZINC000358122832 144154836 /nfs/dbraw/zinc/15/48/36/144154836.db2.gz MSMBTOBBZGPLRK-CQSZACIVSA-N 2 2 283.416 0.733 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](CCC(=O)N2CCc3ccccc32)CCO1 ZINC000358128233 144155210 /nfs/dbraw/zinc/15/52/10/144155210.db2.gz PZSLFLVRUOAXFG-AWEZNQCLSA-N 2 2 289.379 0.625 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CCC(=O)N2CCc3ccccc32)CCO1 ZINC000358128233 144155211 /nfs/dbraw/zinc/15/52/11/144155211.db2.gz PZSLFLVRUOAXFG-AWEZNQCLSA-N 2 2 289.379 0.625 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CC[NH2+][C@H](C)C1 ZINC000358681822 144172272 /nfs/dbraw/zinc/17/22/72/144172272.db2.gz BTEUOAMEUJDJCW-MGPQQGTHSA-N 2 2 282.432 0.127 20 0 CCADLP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H](C)[NH+]1C ZINC000358716942 144175195 /nfs/dbraw/zinc/17/51/95/144175195.db2.gz GFAWERVEJANSLT-GHMZBOCLSA-N 2 2 280.372 0.901 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+]2CCC([C@H]3CCOC3)CC2)CC1 ZINC000368333124 144218304 /nfs/dbraw/zinc/21/83/04/144218304.db2.gz PQSHYCMBLYKFQQ-HNNXBMFYSA-N 2 2 295.427 0.509 20 0 CCADLP O=C(Cc1cn2ccccc2[nH+]1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000368359732 144220187 /nfs/dbraw/zinc/22/01/87/144220187.db2.gz CXQIGWIOBBKELF-YABSGUDNSA-N 2 2 256.309 0.211 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3=COCCC3)C2)CC1 ZINC000369267270 144260761 /nfs/dbraw/zinc/26/07/61/144260761.db2.gz OSJUKVIWLRPAFY-AWEZNQCLSA-N 2 2 293.411 0.965 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3=COCCC3)C2)CC1 ZINC000369267270 144260762 /nfs/dbraw/zinc/26/07/62/144260762.db2.gz OSJUKVIWLRPAFY-AWEZNQCLSA-N 2 2 293.411 0.965 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)N1CCCC1 ZINC000369612968 144274543 /nfs/dbraw/zinc/27/45/43/144274543.db2.gz GRGBJLWVUXOHGK-AWEZNQCLSA-N 2 2 281.400 0.263 20 0 CCADLP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)N1CCCC1 ZINC000369612968 144274544 /nfs/dbraw/zinc/27/45/44/144274544.db2.gz GRGBJLWVUXOHGK-AWEZNQCLSA-N 2 2 281.400 0.263 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC000370601426 144309654 /nfs/dbraw/zinc/30/96/54/144309654.db2.gz IXQXLPUCUKQDRV-ZDUSSCGKSA-N 2 2 281.400 0.452 20 0 CCADLP CCC[N@H+](CC)CCNC(=O)[C@H]1COCC[NH+]1CC ZINC000372977011 144387597 /nfs/dbraw/zinc/38/75/97/144387597.db2.gz KBMFSIYOCBLEBJ-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[N@@H+](CC)CCNC(=O)[C@H]1COCC[NH+]1CC ZINC000372977011 144387599 /nfs/dbraw/zinc/38/75/99/144387599.db2.gz KBMFSIYOCBLEBJ-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[NH+](CC)CCNC(=O)[C@H]1COCC[N@@H+]1CC ZINC000372977011 144387600 /nfs/dbraw/zinc/38/76/00/144387600.db2.gz KBMFSIYOCBLEBJ-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[NH+](CC)CCNC(=O)[C@H]1COCC[N@H+]1CC ZINC000372977011 144387602 /nfs/dbraw/zinc/38/76/02/144387602.db2.gz KBMFSIYOCBLEBJ-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@]1(CCOC)CCOC1 ZINC000571937345 397580017 /nfs/dbraw/zinc/58/00/17/397580017.db2.gz SRMAIDZHEBVWGJ-QWHCGFSZSA-N 2 2 260.378 0.084 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@]1(CCOC)CCOC1 ZINC000571937345 397580020 /nfs/dbraw/zinc/58/00/20/397580020.db2.gz SRMAIDZHEBVWGJ-QWHCGFSZSA-N 2 2 260.378 0.084 20 0 CCADLP CSc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])nc1 ZINC000580298637 397582187 /nfs/dbraw/zinc/58/21/87/397582187.db2.gz YDHGUHMHFBPWHV-JTQLQIEISA-N 2 2 295.412 0.910 20 0 CCADLP CSc1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])nc1 ZINC000580298637 397582190 /nfs/dbraw/zinc/58/21/90/397582190.db2.gz YDHGUHMHFBPWHV-JTQLQIEISA-N 2 2 295.412 0.910 20 0 CCADLP C[C@H]1CC[C@@H](C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)O1 ZINC000649685628 397655865 /nfs/dbraw/zinc/65/58/65/397655865.db2.gz HGICTYULBAYOKU-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP C[C@H]1CC[C@@H](C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)O1 ZINC000649685628 397655869 /nfs/dbraw/zinc/65/58/69/397655869.db2.gz HGICTYULBAYOKU-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000649409062 397605717 /nfs/dbraw/zinc/60/57/17/397605717.db2.gz BISXBGGXMHYAMN-GFCCVEGCSA-N 2 2 279.388 0.049 20 0 CCADLP CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000649409062 397605719 /nfs/dbraw/zinc/60/57/19/397605719.db2.gz BISXBGGXMHYAMN-GFCCVEGCSA-N 2 2 279.388 0.049 20 0 CCADLP [NH3+]CC1(CCNC(=O)NCCCn2cc[nH+]c2)CC1 ZINC000649480592 397618585 /nfs/dbraw/zinc/61/85/85/397618585.db2.gz LUMUDXGBNVTNKO-UHFFFAOYSA-N 2 2 265.361 0.701 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCCC[NH2+]1 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20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)Cc1c[nH+]cn1C ZINC000548256465 286020473 /nfs/dbraw/zinc/02/04/73/286020473.db2.gz CBGLXOVSYLJZLZ-YPMHNXCESA-N 2 2 264.373 0.761 20 0 CCADLP C[C@@H]1C[C@@H](C)[NH+]1CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000548425159 286035058 /nfs/dbraw/zinc/03/50/58/286035058.db2.gz SIQOTZNITABYTE-CHWSQXEVSA-N 2 2 283.416 0.696 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420403190 286094762 /nfs/dbraw/zinc/09/47/62/286094762.db2.gz KUFJNOJDCRLIRJ-NEPJUHHUSA-N 2 2 257.378 0.056 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420403190 286094763 /nfs/dbraw/zinc/09/47/63/286094763.db2.gz KUFJNOJDCRLIRJ-NEPJUHHUSA-N 2 2 257.378 0.056 20 0 CCADLP Cc1nc(N)c(CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)c[nH+]1 ZINC000552018352 286147561 /nfs/dbraw/zinc/14/75/61/286147561.db2.gz GSASKQYHMABFCK-GFCCVEGCSA-N 2 2 275.356 0.441 20 0 CCADLP Cc1nc(N)c(CNC(=O)[C@H]2CCC[N@H+]2C2CC2)c[nH+]1 ZINC000552018352 286147564 /nfs/dbraw/zinc/14/75/64/286147564.db2.gz GSASKQYHMABFCK-GFCCVEGCSA-N 2 2 275.356 0.441 20 0 CCADLP Cc1nc(N)c(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)c[nH+]1 ZINC000552018353 286147616 /nfs/dbraw/zinc/14/76/16/286147616.db2.gz GSASKQYHMABFCK-LBPRGKRZSA-N 2 2 275.356 0.441 20 0 CCADLP Cc1nc(N)c(CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)c[nH+]1 ZINC000552018353 286147618 /nfs/dbraw/zinc/14/76/18/286147618.db2.gz GSASKQYHMABFCK-LBPRGKRZSA-N 2 2 275.356 0.441 20 0 CCADLP O=C([C@H]1CCC[NH2+]C1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000165680979 304432930 /nfs/dbraw/zinc/43/29/30/304432930.db2.gz UDVLBAMHGAFUFD-KBPBESRZSA-N 2 2 281.400 0.309 20 0 CCADLP O=C(C[C@@H]1CSCC[NH2+]1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659357674 413442582 /nfs/dbraw/zinc/44/25/82/413442582.db2.gz LQBUFGANOUSIAB-CHWSQXEVSA-N 2 2 299.440 0.015 20 0 CCADLP CCO[C@H](CC[NH+](C)C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000284319540 196028610 /nfs/dbraw/zinc/02/86/10/196028610.db2.gz HWCPDUQFIIEWGO-URWSZGRFSA-N 2 2 280.372 0.896 20 0 CCADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000122833640 411708170 /nfs/dbraw/zinc/70/81/70/411708170.db2.gz HQVPJBVIOVQWQO-OLZOCXBDSA-N 2 2 298.431 0.030 20 0 CCADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000122833640 411708172 /nfs/dbraw/zinc/70/81/72/411708172.db2.gz HQVPJBVIOVQWQO-OLZOCXBDSA-N 2 2 298.431 0.030 20 0 CCADLP CC[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)CCOC)[C@H](CC)CO1 ZINC000403999041 411791852 /nfs/dbraw/zinc/79/18/52/411791852.db2.gz ZQMBJSKHQRUWOI-RBSFLKMASA-N 2 2 288.432 0.815 20 0 CCADLP CC[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)CCOC)[C@H](CC)CO1 ZINC000403999041 411791855 /nfs/dbraw/zinc/79/18/55/411791855.db2.gz ZQMBJSKHQRUWOI-RBSFLKMASA-N 2 2 288.432 0.815 20 0 CCADLP CC[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)CCOC)[C@H](CC)CO1 ZINC000403999041 411791860 /nfs/dbraw/zinc/79/18/60/411791860.db2.gz ZQMBJSKHQRUWOI-RBSFLKMASA-N 2 2 288.432 0.815 20 0 CCADLP CC[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)CCOC)[C@H](CC)CO1 ZINC000403999041 411791866 /nfs/dbraw/zinc/79/18/66/411791866.db2.gz ZQMBJSKHQRUWOI-RBSFLKMASA-N 2 2 288.432 0.815 20 0 CCADLP Cc1nc(N2CC([N@H+]3CC[C@@H](O)C3)C2)c(C)c(C)[nH+]1 ZINC000651452667 411876774 /nfs/dbraw/zinc/87/67/74/411876774.db2.gz UQSPYDPAOJFTAH-CYBMUJFWSA-N 2 2 262.357 0.657 20 0 CCADLP COCC[N@@H+]1CC[C@H]([NH2+]CC[C@@]2(O)CCCOC2)C1 ZINC000652040406 411979714 /nfs/dbraw/zinc/97/97/14/411979714.db2.gz DFKQJJMSAUURNP-KBPBESRZSA-N 2 2 272.389 0.228 20 0 CCADLP COCC[N@H+]1CC[C@H]([NH2+]CC[C@@]2(O)CCCOC2)C1 ZINC000652040406 411979716 /nfs/dbraw/zinc/97/97/16/411979716.db2.gz DFKQJJMSAUURNP-KBPBESRZSA-N 2 2 272.389 0.228 20 0 CCADLP COCC[N@@H+]1CC[C@H]([NH2+]CC[C@]2(O)CCCOC2)C1 ZINC000652040408 411979782 /nfs/dbraw/zinc/97/97/82/411979782.db2.gz DFKQJJMSAUURNP-UONOGXRCSA-N 2 2 272.389 0.228 20 0 CCADLP COCC[N@H+]1CC[C@H]([NH2+]CC[C@]2(O)CCCOC2)C1 ZINC000652040408 411979785 /nfs/dbraw/zinc/97/97/85/411979785.db2.gz DFKQJJMSAUURNP-UONOGXRCSA-N 2 2 272.389 0.228 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCN(c2nc(C)cs2)[C@@H](C)C1 ZINC000652338902 412032261 /nfs/dbraw/zinc/03/22/61/412032261.db2.gz LRENQTBFRMEJRQ-GXTWGEPZSA-N 2 2 298.456 0.932 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCN(c2nc(C)cs2)[C@@H](C)C1 ZINC000652338902 412032266 /nfs/dbraw/zinc/03/22/66/412032266.db2.gz LRENQTBFRMEJRQ-GXTWGEPZSA-N 2 2 298.456 0.932 20 0 CCADLP CCO[C@@H]1C[N@H+](CC(=O)NCCC(C)(C)C)C[C@H]1C[NH3+] ZINC000652356722 412037017 /nfs/dbraw/zinc/03/70/17/412037017.db2.gz BSYRNTFQXOHSQD-CHWSQXEVSA-N 2 2 285.432 0.834 20 0 CCADLP CCO[C@@H]1C[N@@H+](CC(=O)NCCC(C)(C)C)C[C@H]1C[NH3+] ZINC000652356722 412037024 /nfs/dbraw/zinc/03/70/24/412037024.db2.gz BSYRNTFQXOHSQD-CHWSQXEVSA-N 2 2 285.432 0.834 20 0 CCADLP CCO[C@@H]1C[N@H+](Cc2cc(=O)c(OC)co2)C[C@H]1C[NH3+] ZINC000652356924 412038723 /nfs/dbraw/zinc/03/87/23/412038723.db2.gz QIAFXOVNDFSZCE-ZWNOBZJWSA-N 2 2 282.340 0.444 20 0 CCADLP CCO[C@@H]1C[N@@H+](Cc2cc(=O)c(OC)co2)C[C@H]1C[NH3+] ZINC000652356924 412038725 /nfs/dbraw/zinc/03/87/25/412038725.db2.gz QIAFXOVNDFSZCE-ZWNOBZJWSA-N 2 2 282.340 0.444 20 0 CCADLP C[C@H](CC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)n1cc[nH+]c1 ZINC000652390526 412045265 /nfs/dbraw/zinc/04/52/65/412045265.db2.gz SZCNZKGJWQYVBB-ZIAGYGMSSA-N 2 2 294.399 0.797 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C)Cn1cc[nH+]c1 ZINC000284556859 196083583 /nfs/dbraw/zinc/08/35/83/196083583.db2.gz GWJDEHAPKKYPNY-TUAOUCFPSA-N 2 2 266.345 0.012 20 0 CCADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)NCc2ccccc2)C1 ZINC000020475785 171219989 /nfs/dbraw/zinc/21/99/89/171219989.db2.gz SIXJEJZMJPPDMU-CQSZACIVSA-N 2 2 261.369 0.974 20 0 CCADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)NCc2ccccc2)C1 ZINC000020475785 171219990 /nfs/dbraw/zinc/21/99/90/171219990.db2.gz SIXJEJZMJPPDMU-CQSZACIVSA-N 2 2 261.369 0.974 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H]1OCCc2ccccc21 ZINC000653090541 412214736 /nfs/dbraw/zinc/21/47/36/412214736.db2.gz RYXADQSTVRVNHI-GJZGRUSLSA-N 2 2 291.395 0.696 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000653093447 412215132 /nfs/dbraw/zinc/21/51/32/412215132.db2.gz CVOLVFZMGLOWIB-WRWGMCAJSA-N 2 2 269.389 0.195 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)CCN2 ZINC000653046559 412200306 /nfs/dbraw/zinc/20/03/06/412200306.db2.gz FDWSPAPWNNJIJQ-GFCCVEGCSA-N 2 2 262.357 0.872 20 0 CCADLP C[NH2+]C1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000653049959 412201046 /nfs/dbraw/zinc/20/10/46/412201046.db2.gz VXDHUMCZNGMLPN-UHFFFAOYSA-N 2 2 276.384 0.972 20 0 CCADLP CO[C@@H](CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C(F)(F)F ZINC000653055025 412203421 /nfs/dbraw/zinc/20/34/21/412203421.db2.gz ISAOQEBXOVEULE-IUCAKERBSA-N 2 2 283.294 0.055 20 0 CCADLP CO[C@@H](CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C(F)(F)F ZINC000653055025 412203423 /nfs/dbraw/zinc/20/34/23/412203423.db2.gz ISAOQEBXOVEULE-IUCAKERBSA-N 2 2 283.294 0.055 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCc2ccc(F)cc21 ZINC000653082541 412211954 /nfs/dbraw/zinc/21/19/54/412211954.db2.gz YLLHJMIIUPILLD-GFCCVEGCSA-N 2 2 265.332 0.994 20 0 CCADLP COCc1cc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)ccc1F ZINC000653086895 412213381 /nfs/dbraw/zinc/21/33/81/412213381.db2.gz FIEPYYAMQKVUOG-CQSZACIVSA-N 2 2 297.374 0.867 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000653096666 412217502 /nfs/dbraw/zinc/21/75/02/412217502.db2.gz SESDWJGOCHHCOE-RVMXOQNASA-N 2 2 283.416 0.585 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCO[C@H](c2ccsc2)C1 ZINC000653098313 412217803 /nfs/dbraw/zinc/21/78/03/412217803.db2.gz JGQCKDGAQZRIPM-STQMWFEESA-N 2 2 297.424 0.927 20 0 CCADLP CC[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1CCOCC1 ZINC000653099443 412218317 /nfs/dbraw/zinc/21/83/17/412218317.db2.gz QVQGWRVZHPXRPR-OLZOCXBDSA-N 2 2 271.405 0.587 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC1([NH+](C)C)CCCC1 ZINC000653105023 412220738 /nfs/dbraw/zinc/22/07/38/412220738.db2.gz BMXAQYFAPNLZHA-LBPRGKRZSA-N 3 2 270.421 0.256 20 0 CCADLP CC1CC[NH+](CCNC(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653109822 412221590 /nfs/dbraw/zinc/22/15/90/412221590.db2.gz OKHDQIGWAPWFEY-CYBMUJFWSA-N 3 2 270.421 0.114 20 0 CCADLP C[C@H]1CCC[N@H+](CCCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653110375 412222089 /nfs/dbraw/zinc/22/20/89/412222089.db2.gz GAQWBUZBZMHVHK-GJZGRUSLSA-N 3 2 298.475 0.894 20 0 CCADLP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653110375 412222092 /nfs/dbraw/zinc/22/20/92/412222092.db2.gz GAQWBUZBZMHVHK-GJZGRUSLSA-N 3 2 298.475 0.894 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(N2CCCC2)cn1 ZINC000653110033 412222676 /nfs/dbraw/zinc/22/26/76/412222676.db2.gz VMIGHWWTSTXZKM-ZDUSSCGKSA-N 2 2 291.399 0.899 20 0 CCADLP Cc1ccn2cc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)nc2c1 ZINC000653112161 412223344 /nfs/dbraw/zinc/22/33/44/412223344.db2.gz OCGUXIYBMCZFAC-ZDUSSCGKSA-N 2 2 289.383 0.538 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653116261 412225702 /nfs/dbraw/zinc/22/57/02/412225702.db2.gz AEQFYDHXACRXLE-KGLIPLIRSA-N 2 2 295.427 0.744 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653116261 412225705 /nfs/dbraw/zinc/22/57/05/412225705.db2.gz AEQFYDHXACRXLE-KGLIPLIRSA-N 2 2 295.427 0.744 20 0 CCADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653120024 412229736 /nfs/dbraw/zinc/22/97/36/412229736.db2.gz CQWOPMKOGQTJMY-ZIAGYGMSSA-N 3 2 284.448 0.646 20 0 CCADLP C[C@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccncc1 ZINC000653122727 412231625 /nfs/dbraw/zinc/23/16/25/412231625.db2.gz BUEQZWPTKAVNJN-DGCLKSJQSA-N 2 2 264.373 0.580 20 0 CCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@@H](C)C1 ZINC000653122414 412231641 /nfs/dbraw/zinc/23/16/41/412231641.db2.gz WIJQAHJHFZDTRW-MJBXVCDLSA-N 3 2 284.448 0.454 20 0 CCADLP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@@H](C)C1 ZINC000653122414 412231645 /nfs/dbraw/zinc/23/16/45/412231645.db2.gz WIJQAHJHFZDTRW-MJBXVCDLSA-N 3 2 284.448 0.454 20 0 CCADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653149140 412241645 /nfs/dbraw/zinc/24/16/45/412241645.db2.gz XXNRAYDVQYKIKI-GXTWGEPZSA-N 3 2 284.448 0.454 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000653158201 412247014 /nfs/dbraw/zinc/24/70/14/412247014.db2.gz XIUQPGRDKGWNGY-XQHKEYJVSA-N 2 2 281.400 0.339 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[C@H](Oc2ccccc2)C1 ZINC000653167204 412249924 /nfs/dbraw/zinc/24/99/24/412249924.db2.gz MFGZACYAPBTMOM-LSDHHAIUSA-N 2 2 291.395 0.945 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCOC(C)(C)[C@H]1C ZINC000653569891 412319950 /nfs/dbraw/zinc/31/99/50/412319950.db2.gz QDGFGAUKDVDSFJ-OLZOCXBDSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCOC(C)(C)[C@H]1C ZINC000653569891 412319954 /nfs/dbraw/zinc/31/99/54/412319954.db2.gz QDGFGAUKDVDSFJ-OLZOCXBDSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000653569891 412319958 /nfs/dbraw/zinc/31/99/58/412319958.db2.gz QDGFGAUKDVDSFJ-OLZOCXBDSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCOC(C)(C)[C@H]1C ZINC000653569891 412319959 /nfs/dbraw/zinc/31/99/59/412319959.db2.gz QDGFGAUKDVDSFJ-OLZOCXBDSA-N 2 2 274.405 0.425 20 0 CCADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CC[C@@H]2CCNC2=O)C1 ZINC000653578974 412320577 /nfs/dbraw/zinc/32/05/77/412320577.db2.gz HXZDROICEVJFCH-QWHCGFSZSA-N 2 2 253.390 0.975 20 0 CCADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CC[C@@H]2CCNC2=O)C1 ZINC000653578974 412320579 /nfs/dbraw/zinc/32/05/79/412320579.db2.gz HXZDROICEVJFCH-QWHCGFSZSA-N 2 2 253.390 0.975 20 0 CCADLP CCn1ccc(C[N@H+](C)C[C@@H](O)C[NH+](C)CCOC)c1 ZINC000653638279 412327938 /nfs/dbraw/zinc/32/79/38/412327938.db2.gz NYUZWZMBBIXINV-HNNXBMFYSA-N 2 2 283.416 0.879 20 0 CCADLP CCn1ccc(C[N@@H+](C)C[C@@H](O)C[NH+](C)CCOC)c1 ZINC000653638279 412327942 /nfs/dbraw/zinc/32/79/42/412327942.db2.gz NYUZWZMBBIXINV-HNNXBMFYSA-N 2 2 283.416 0.879 20 0 CCADLP CCn1ccc(C[NH+](C)C[C@@H](O)C[N@H+](C)CCOC)c1 ZINC000653638279 412327947 /nfs/dbraw/zinc/32/79/47/412327947.db2.gz NYUZWZMBBIXINV-HNNXBMFYSA-N 2 2 283.416 0.879 20 0 CCADLP CCn1ccc(C[NH+](C)C[C@@H](O)C[N@@H+](C)CCOC)c1 ZINC000653638279 412327949 /nfs/dbraw/zinc/32/79/49/412327949.db2.gz NYUZWZMBBIXINV-HNNXBMFYSA-N 2 2 283.416 0.879 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)OCC12CCC2 ZINC000653778918 412345784 /nfs/dbraw/zinc/34/57/84/412345784.db2.gz INJJSAZWRNTVLW-ZIAGYGMSSA-N 2 2 286.416 0.569 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)OCC12CCC2 ZINC000653778918 412345788 /nfs/dbraw/zinc/34/57/88/412345788.db2.gz INJJSAZWRNTVLW-ZIAGYGMSSA-N 2 2 286.416 0.569 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](C)OCC12CCC2 ZINC000653778918 412345790 /nfs/dbraw/zinc/34/57/90/412345790.db2.gz INJJSAZWRNTVLW-ZIAGYGMSSA-N 2 2 286.416 0.569 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](C)OCC12CCC2 ZINC000653778918 412345793 /nfs/dbraw/zinc/34/57/93/412345793.db2.gz INJJSAZWRNTVLW-ZIAGYGMSSA-N 2 2 286.416 0.569 20 0 CCADLP CC1(C)C[NH+](CC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000654749343 412435424 /nfs/dbraw/zinc/43/54/24/412435424.db2.gz KLSBLFWXFGHSDO-ZIAGYGMSSA-N 2 2 295.427 0.386 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654374756 412389321 /nfs/dbraw/zinc/38/93/21/412389321.db2.gz MDRUUVRMFVGFHP-MCIONIFRSA-N 2 2 298.431 0.347 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000654889861 412448706 /nfs/dbraw/zinc/44/87/06/412448706.db2.gz BKFYQPPSADOJQY-OCCSQVGLSA-N 2 2 292.383 0.521 20 0 CCADLP CC1(C)C[NH+](CC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000654899222 412449285 /nfs/dbraw/zinc/44/92/85/412449285.db2.gz DNTYATOCLMVXKC-AWEZNQCLSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H](NC(=O)C[NH+]1CC(C)(C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000654928565 412450653 /nfs/dbraw/zinc/45/06/53/412450653.db2.gz APWWIUUTWUVANL-NWDGAFQWSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@H](NC(=O)C[NH+]1CC(C)(C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000654928565 412450654 /nfs/dbraw/zinc/45/06/54/412450654.db2.gz APWWIUUTWUVANL-NWDGAFQWSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000654928567 412451266 /nfs/dbraw/zinc/45/12/66/412451266.db2.gz APWWIUUTWUVANL-VXGBXAGGSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000654928567 412451268 /nfs/dbraw/zinc/45/12/68/412451268.db2.gz APWWIUUTWUVANL-VXGBXAGGSA-N 2 2 269.389 0.164 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H]3C[NH+]4CCN3CC4)ccn12 ZINC000654933266 412451940 /nfs/dbraw/zinc/45/19/40/412451940.db2.gz XOJCMZTVHRFRNG-CQSZACIVSA-N 2 2 299.378 0.372 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000655052638 412469102 /nfs/dbraw/zinc/46/91/02/412469102.db2.gz NJDFJJMGJBJERC-LLVKDONJSA-N 2 2 262.357 0.654 20 0 CCADLP [NH3+]CC12CC(C1)CN2C(=O)NCc1cn2ccccc2[nH+]1 ZINC000659428457 413493339 /nfs/dbraw/zinc/49/33/39/413493339.db2.gz XGGXPDWAGNXPGM-UHFFFAOYSA-N 2 2 285.351 0.967 20 0 CCADLP C[C@@H](NC(=O)N1CC2CC1(C[NH3+])C2)[C@H](C)[NH+]1CCOCC1 ZINC000659450127 413509864 /nfs/dbraw/zinc/50/98/64/413509864.db2.gz HVPGYSFMYYQHKK-ATAKMUTHSA-N 2 2 296.415 0.228 20 0 CCADLP [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000659553303 413645034 /nfs/dbraw/zinc/64/50/34/413645034.db2.gz IMLIJBGPLGRDKC-HZSPNIEDSA-N 2 2 296.415 0.230 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000659535192 413618967 /nfs/dbraw/zinc/61/89/67/413618967.db2.gz IIGFTERVGHEXIG-JTQLQIEISA-N 2 2 251.334 0.693 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000659535192 413618977 /nfs/dbraw/zinc/61/89/77/413618977.db2.gz IIGFTERVGHEXIG-JTQLQIEISA-N 2 2 251.334 0.693 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000659646116 413751319 /nfs/dbraw/zinc/75/13/19/413751319.db2.gz LOMYOYLYOKYYSZ-CYBMUJFWSA-N 3 2 299.463 0.262 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000659646116 413751323 /nfs/dbraw/zinc/75/13/23/413751323.db2.gz LOMYOYLYOKYYSZ-CYBMUJFWSA-N 3 2 299.463 0.262 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](CC(N)=O)C1CCCC1 ZINC000659879972 413937904 /nfs/dbraw/zinc/93/79/04/413937904.db2.gz ZVXXDBYGVALMGU-ZDUSSCGKSA-N 2 2 271.405 0.417 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](CC(N)=O)C1CCCC1 ZINC000659879972 413937915 /nfs/dbraw/zinc/93/79/15/413937915.db2.gz ZVXXDBYGVALMGU-ZDUSSCGKSA-N 2 2 271.405 0.417 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](CC(N)=O)C1CCCC1 ZINC000659879972 413937928 /nfs/dbraw/zinc/93/79/28/413937928.db2.gz ZVXXDBYGVALMGU-ZDUSSCGKSA-N 2 2 271.405 0.417 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](CC(N)=O)C1CCCC1 ZINC000659879972 413937936 /nfs/dbraw/zinc/93/79/36/413937936.db2.gz ZVXXDBYGVALMGU-ZDUSSCGKSA-N 2 2 271.405 0.417 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(OCCCO)CC1 ZINC000659998981 414037526 /nfs/dbraw/zinc/03/75/26/414037526.db2.gz VKKBEKRECLSPET-CQSZACIVSA-N 2 2 288.432 0.551 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(OCCCO)CC1 ZINC000659998981 414037527 /nfs/dbraw/zinc/03/75/27/414037527.db2.gz VKKBEKRECLSPET-CQSZACIVSA-N 2 2 288.432 0.551 20 0 CCADLP CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000659997262 414038894 /nfs/dbraw/zinc/03/88/94/414038894.db2.gz AXHHIBSRJGIPQL-QWHCGFSZSA-N 2 2 299.396 0.332 20 0 CCADLP CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@H+](C)CCCn1cc[nH+]c1 ZINC000660148113 414154940 /nfs/dbraw/zinc/15/49/40/414154940.db2.gz SYEYDNRSSSZEFT-NWDGAFQWSA-N 2 2 287.385 0.017 20 0 CCADLP CO[C@@H]1CS(=O)(=O)C[C@@H]1[N@@H+](C)CCCn1cc[nH+]c1 ZINC000660148113 414154947 /nfs/dbraw/zinc/15/49/47/414154947.db2.gz SYEYDNRSSSZEFT-NWDGAFQWSA-N 2 2 287.385 0.017 20 0 CCADLP C[C@@H]1C[N@H+](CCc2cn[nH]n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000660152945 414159356 /nfs/dbraw/zinc/15/93/56/414159356.db2.gz DFXGAACOAOIGSA-HIFRSBDPSA-N 2 2 292.431 0.305 20 0 CCADLP C[C@@H]1C[N@@H+](CCc2cn[nH]n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000660152945 414159363 /nfs/dbraw/zinc/15/93/63/414159363.db2.gz DFXGAACOAOIGSA-HIFRSBDPSA-N 2 2 292.431 0.305 20 0 CCADLP C[C@@H]1C[N@H+](CCc2c[nH]nn2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000660152945 414159372 /nfs/dbraw/zinc/15/93/72/414159372.db2.gz DFXGAACOAOIGSA-HIFRSBDPSA-N 2 2 292.431 0.305 20 0 CCADLP C[C@@H]1C[N@@H+](CCc2c[nH]nn2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000660152945 414159383 /nfs/dbraw/zinc/15/93/83/414159383.db2.gz DFXGAACOAOIGSA-HIFRSBDPSA-N 2 2 292.431 0.305 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000660332495 414251774 /nfs/dbraw/zinc/25/17/74/414251774.db2.gz PGHTXYJBBXVHKC-LLVKDONJSA-N 2 2 280.359 0.780 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000660332495 414251781 /nfs/dbraw/zinc/25/17/81/414251781.db2.gz PGHTXYJBBXVHKC-LLVKDONJSA-N 2 2 280.359 0.780 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)CN1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000660536208 414382202 /nfs/dbraw/zinc/38/22/02/414382202.db2.gz FHTDDKICHUWELI-XHSDSOJGSA-N 2 2 299.459 0.483 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)CN1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000660536208 414382209 /nfs/dbraw/zinc/38/22/09/414382209.db2.gz FHTDDKICHUWELI-XHSDSOJGSA-N 2 2 299.459 0.483 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000660536208 414382211 /nfs/dbraw/zinc/38/22/11/414382211.db2.gz FHTDDKICHUWELI-XHSDSOJGSA-N 2 2 299.459 0.483 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000660536208 414382216 /nfs/dbraw/zinc/38/22/16/414382216.db2.gz FHTDDKICHUWELI-XHSDSOJGSA-N 2 2 299.459 0.483 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000660536208 414382221 /nfs/dbraw/zinc/38/22/21/414382221.db2.gz FHTDDKICHUWELI-XHSDSOJGSA-N 2 2 299.459 0.483 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000660536208 414382225 /nfs/dbraw/zinc/38/22/25/414382225.db2.gz FHTDDKICHUWELI-XHSDSOJGSA-N 2 2 299.459 0.483 20 0 CCADLP CC(C)C[NH2+]C1(CO)CC[NH+](CCOCCO)CC1 ZINC000660695106 414444871 /nfs/dbraw/zinc/44/48/71/414444871.db2.gz MORQVLYBCXGCGF-UHFFFAOYSA-N 2 2 274.405 0.068 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000660843761 414504005 /nfs/dbraw/zinc/50/40/05/414504005.db2.gz ILWJKLQWTVFVQD-SNVBAGLBSA-N 2 2 253.350 0.891 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000660843761 414504008 /nfs/dbraw/zinc/50/40/08/414504008.db2.gz ILWJKLQWTVFVQD-SNVBAGLBSA-N 2 2 253.350 0.891 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+](C)[C@@H](CO)Cc1ccccc1)C1CC1 ZINC000661090809 414553505 /nfs/dbraw/zinc/55/35/05/414553505.db2.gz DEYXIWWYEPMQEG-IAGOWNOFSA-N 2 2 292.423 0.977 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+](C)[C@@H](CO)Cc1ccccc1)C1CC1 ZINC000661090809 414553508 /nfs/dbraw/zinc/55/35/08/414553508.db2.gz DEYXIWWYEPMQEG-IAGOWNOFSA-N 2 2 292.423 0.977 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@@H](CO)Cc1ccccc1 ZINC000661090809 414553512 /nfs/dbraw/zinc/55/35/12/414553512.db2.gz DEYXIWWYEPMQEG-IAGOWNOFSA-N 2 2 292.423 0.977 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@@H](CO)Cc1ccccc1 ZINC000661090809 414553515 /nfs/dbraw/zinc/55/35/15/414553515.db2.gz DEYXIWWYEPMQEG-IAGOWNOFSA-N 2 2 292.423 0.977 20 0 CCADLP COc1cc2c(cc1OC)C[N@H+](CC(=O)NCC[NH3+])CC2 ZINC000040605546 174352966 /nfs/dbraw/zinc/35/29/66/174352966.db2.gz ZXCCFZJGBGPJNM-UHFFFAOYSA-N 2 2 293.367 0.137 20 0 CCADLP COc1cc2c(cc1OC)C[N@@H+](CC(=O)NCC[NH3+])CC2 ZINC000040605546 174352967 /nfs/dbraw/zinc/35/29/67/174352967.db2.gz ZXCCFZJGBGPJNM-UHFFFAOYSA-N 2 2 293.367 0.137 20 0 CCADLP Cc1[nH+]c2n(c1C)CCN(C[C@@H]1C[NH2+]CCO1)C2 ZINC000662260143 414701509 /nfs/dbraw/zinc/70/15/09/414701509.db2.gz IMDPRQAROBQASQ-LBPRGKRZSA-N 2 2 250.346 0.304 20 0 CCADLP C([C@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1)[NH+]1CCOCC1 ZINC000662261879 414701952 /nfs/dbraw/zinc/70/19/52/414701952.db2.gz CBDNKKJJDBJNFR-CABCVRRESA-N 3 2 295.427 0.162 20 0 CCADLP C([C@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1)[NH+]1CCOCC1 ZINC000662261879 414701953 /nfs/dbraw/zinc/70/19/53/414701953.db2.gz CBDNKKJJDBJNFR-CABCVRRESA-N 3 2 295.427 0.162 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662274869 414704177 /nfs/dbraw/zinc/70/41/77/414704177.db2.gz YBBOJRUECUBOGD-QLFBSQMISA-N 3 2 267.417 0.686 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662274869 414704178 /nfs/dbraw/zinc/70/41/78/414704178.db2.gz YBBOJRUECUBOGD-QLFBSQMISA-N 3 2 267.417 0.686 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000662282679 414705680 /nfs/dbraw/zinc/70/56/80/414705680.db2.gz PUZWVPDFUUHNFG-ZDUSSCGKSA-N 2 2 270.373 0.104 20 0 CCADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2C[C@H]2C[NH2+]CCO2)C1 ZINC000662282566 414705774 /nfs/dbraw/zinc/70/57/74/414705774.db2.gz CHJIHJFECQDLFH-TUVASFSCSA-N 3 2 283.416 0.336 20 0 CCADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2C[C@H]2C[NH2+]CCO2)C1 ZINC000662282566 414705775 /nfs/dbraw/zinc/70/57/75/414705775.db2.gz CHJIHJFECQDLFH-TUVASFSCSA-N 3 2 283.416 0.336 20 0 CCADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2nc(N(C)C)no2)C[C@H]1C[NH3+] ZINC000662282197 414705922 /nfs/dbraw/zinc/70/59/22/414705922.db2.gz DIQINIOFFSDFSC-GMTAPVOTSA-N 2 2 267.377 0.941 20 0 CCADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc(N(C)C)no2)C[C@H]1C[NH3+] ZINC000662282197 414705923 /nfs/dbraw/zinc/70/59/23/414705923.db2.gz DIQINIOFFSDFSC-GMTAPVOTSA-N 2 2 267.377 0.941 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000662286123 414706557 /nfs/dbraw/zinc/70/65/57/414706557.db2.gz OIRDZZWWKYFLPQ-SRVKXCTJSA-N 2 2 258.387 0.181 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000662286123 414706558 /nfs/dbraw/zinc/70/65/58/414706558.db2.gz OIRDZZWWKYFLPQ-SRVKXCTJSA-N 2 2 258.387 0.181 20 0 CCADLP Cc1cccc(C)c1OCCC[N@H+](CC[NH3+])C[C@H](O)CO ZINC000662288869 414707216 /nfs/dbraw/zinc/70/72/16/414707216.db2.gz MQFMVJLGSXMVQA-HNNXBMFYSA-N 2 2 296.411 0.686 20 0 CCADLP Cc1cccc(C)c1OCCC[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000662288869 414707217 /nfs/dbraw/zinc/70/72/17/414707217.db2.gz MQFMVJLGSXMVQA-HNNXBMFYSA-N 2 2 296.411 0.686 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000662298853 414708199 /nfs/dbraw/zinc/70/81/99/414708199.db2.gz QXMXNNBNTYQUHL-FPMFFAJLSA-N 2 2 287.363 0.451 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000662298853 414708200 /nfs/dbraw/zinc/70/82/00/414708200.db2.gz QXMXNNBNTYQUHL-FPMFFAJLSA-N 2 2 287.363 0.451 20 0 CCADLP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@@H]2C[NH2+]CCO2)cn1 ZINC000662310660 414708600 /nfs/dbraw/zinc/70/86/00/414708600.db2.gz MAAGVPMKEQYSOS-SOUVJXGZSA-N 2 2 278.400 0.709 20 0 CCADLP CN1CC[C@H]([N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)C1=O ZINC000662319089 414709447 /nfs/dbraw/zinc/70/94/47/414709447.db2.gz DBFLLPXVLYRABF-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CN1CC[C@H]([N@H+]2CCO[C@H](CCC[NH+](C)C)C2)C1=O ZINC000662319089 414709448 /nfs/dbraw/zinc/70/94/48/414709448.db2.gz DBFLLPXVLYRABF-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP Cc1nn(C)cc1C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662150610 414693794 /nfs/dbraw/zinc/69/37/94/414693794.db2.gz YFYZWOBFOAEFGQ-HNNXBMFYSA-N 2 2 278.400 0.760 20 0 CCADLP Cc1nn(C)cc1C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662150610 414693795 /nfs/dbraw/zinc/69/37/95/414693795.db2.gz YFYZWOBFOAEFGQ-HNNXBMFYSA-N 2 2 278.400 0.760 20 0 CCADLP C[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1C[NH2+]CCO1 ZINC000662251601 414699421 /nfs/dbraw/zinc/69/94/21/414699421.db2.gz GFKGFPZEHYORKF-HIFRSBDPSA-N 2 2 264.369 0.858 20 0 CCADLP C[C@@H](O)C[N@H+](Cc1ccccc1)C[C@@H]1C[NH2+]CCO1 ZINC000662251601 414699422 /nfs/dbraw/zinc/69/94/22/414699422.db2.gz GFKGFPZEHYORKF-HIFRSBDPSA-N 2 2 264.369 0.858 20 0 CCADLP O=C(NCC1CC1)[C@@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662252190 414699886 /nfs/dbraw/zinc/69/98/86/414699886.db2.gz MQEYNCXIJVXWQS-ZIAGYGMSSA-N 2 2 281.400 0.213 20 0 CCADLP O=C(NCC1CC1)[C@@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662252190 414699887 /nfs/dbraw/zinc/69/98/87/414699887.db2.gz MQEYNCXIJVXWQS-ZIAGYGMSSA-N 2 2 281.400 0.213 20 0 CCADLP C[N@@H+](Cc1nnc2n1CCC2)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662259993 414701076 /nfs/dbraw/zinc/70/10/76/414701076.db2.gz DRSBXRKCYISPGW-LLVKDONJSA-N 2 2 277.372 0.177 20 0 CCADLP C[N@H+](Cc1nnc2n1CCC2)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662259993 414701077 /nfs/dbraw/zinc/70/10/77/414701077.db2.gz DRSBXRKCYISPGW-LLVKDONJSA-N 2 2 277.372 0.177 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000662443179 414718887 /nfs/dbraw/zinc/71/88/87/414718887.db2.gz DSUDRDGMIBFBEM-LLVKDONJSA-N 2 2 257.378 0.211 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000662443179 414718888 /nfs/dbraw/zinc/71/88/88/414718888.db2.gz DSUDRDGMIBFBEM-LLVKDONJSA-N 2 2 257.378 0.211 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000662504457 414723934 /nfs/dbraw/zinc/72/39/34/414723934.db2.gz WLNHOAXDJVYZQY-NEPJUHHUSA-N 2 2 250.346 0.859 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000662506296 414724079 /nfs/dbraw/zinc/72/40/79/414724079.db2.gz IBYRGVOYDVATCA-RYUDHWBXSA-N 2 2 262.357 0.775 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000662536126 414726139 /nfs/dbraw/zinc/72/61/39/414726139.db2.gz VTHCIKLTQGXMIL-GFCCVEGCSA-N 2 2 277.372 0.432 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1ccc(N)cn1 ZINC000662632121 414734943 /nfs/dbraw/zinc/73/49/43/414734943.db2.gz MSBDKJZBUKEOSP-UHFFFAOYSA-N 2 2 293.415 0.206 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1ccc(N)cn1 ZINC000662632121 414734944 /nfs/dbraw/zinc/73/49/44/414734944.db2.gz MSBDKJZBUKEOSP-UHFFFAOYSA-N 2 2 293.415 0.206 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662632233 414735066 /nfs/dbraw/zinc/73/50/66/414735066.db2.gz ZCSPHMDXFCVJAI-SDDRHHMPSA-N 2 2 257.378 0.067 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662632233 414735067 /nfs/dbraw/zinc/73/50/67/414735067.db2.gz ZCSPHMDXFCVJAI-SDDRHHMPSA-N 2 2 257.378 0.067 20 0 CCADLP CC(C)[NH2+]CC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000662633253 414735492 /nfs/dbraw/zinc/73/54/92/414735492.db2.gz JRKSIRJZSBSQEV-RYUDHWBXSA-N 2 2 257.378 0.210 20 0 CCADLP CC(C)[NH2+]CC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000662633253 414735493 /nfs/dbraw/zinc/73/54/93/414735493.db2.gz JRKSIRJZSBSQEV-RYUDHWBXSA-N 2 2 257.378 0.210 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)[C@@H]3CCO[C@@H]3C[NH3+])cn2c1 ZINC000662687407 414740963 /nfs/dbraw/zinc/74/09/63/414740963.db2.gz BTJAMHSGJXXLJN-CHWSQXEVSA-N 2 2 288.351 0.623 20 0 CCADLP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000662687557 414741068 /nfs/dbraw/zinc/74/10/68/414741068.db2.gz HHQGXKNLECARNK-NEPJUHHUSA-N 2 2 268.361 0.388 20 0 CCADLP [NH3+][C@H]1C[C@H](C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000662694521 414742108 /nfs/dbraw/zinc/74/21/08/414742108.db2.gz RRRLFHSMYLTSIT-HDJSIYSDSA-N 2 2 259.353 0.856 20 0 CCADLP COc1cc[nH+]cc1NC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662701308 414743460 /nfs/dbraw/zinc/74/34/60/414743460.db2.gz OEGHEYMUHFFFKR-LDYMZIIASA-N 2 2 251.286 0.393 20 0 CCADLP CO[C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CCCCC1 ZINC000662733270 414748180 /nfs/dbraw/zinc/74/81/80/414748180.db2.gz IYZZPXZDKCMWOS-UONOGXRCSA-N 2 2 285.432 0.977 20 0 CCADLP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000662796426 414802686 /nfs/dbraw/zinc/80/26/86/414802686.db2.gz ZVNMJHIUSUDPAP-XQQFMLRXSA-N 2 2 290.367 0.140 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[NH2+]CC2)[C@@H](C)CO1 ZINC000662861207 414852598 /nfs/dbraw/zinc/85/25/98/414852598.db2.gz YETCXSJXCDNLJZ-BFHYXJOUSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[NH2+]CC2)[C@@H](C)CO1 ZINC000662861207 414852602 /nfs/dbraw/zinc/85/26/02/414852602.db2.gz YETCXSJXCDNLJZ-BFHYXJOUSA-N 2 2 283.416 0.602 20 0 CCADLP CN(C(=O)[C@H]1C[C@@H]([NH3+])C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899107 414880327 /nfs/dbraw/zinc/88/03/27/414880327.db2.gz BHNDZOIVWWSQNA-GUTXKFCHSA-N 3 2 294.443 0.351 20 0 CCADLP CN(C(=O)[C@H]1C[C@@H]([NH3+])C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899107 414880332 /nfs/dbraw/zinc/88/03/32/414880332.db2.gz BHNDZOIVWWSQNA-GUTXKFCHSA-N 3 2 294.443 0.351 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H]1[NH2+]CCO[C@@H]1C ZINC000662899970 414881073 /nfs/dbraw/zinc/88/10/73/414881073.db2.gz JHZWWOXUDNILEC-AXFHLTTASA-N 2 2 266.345 0.457 20 0 CCADLP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662911948 414886878 /nfs/dbraw/zinc/88/68/78/414886878.db2.gz XTQUAYJUYJRTIV-KFWWJZLASA-N 2 2 293.411 0.308 20 0 CCADLP CN(CCC[NH3+])C(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000662930824 414900363 /nfs/dbraw/zinc/90/03/63/414900363.db2.gz WDHGJODLVDPFPC-LLVKDONJSA-N 2 2 293.371 0.271 20 0 CCADLP C[C@@H](NC(=O)c1ccnc(C[NH3+])c1)c1[nH+]ccn1C ZINC000662932772 414902524 /nfs/dbraw/zinc/90/25/24/414902524.db2.gz FOEMHHHKGLDBCT-SECBINFHSA-N 2 2 259.313 0.765 20 0 CCADLP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000662934768 414904519 /nfs/dbraw/zinc/90/45/19/414904519.db2.gz QQUNWTUQCNTUEC-UWVGGRQHSA-N 2 2 254.334 0.350 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663220902 415020578 /nfs/dbraw/zinc/02/05/78/415020578.db2.gz KPCBGIZUUSULTM-CMPLNLGQSA-N 2 2 251.334 0.323 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663005325 414945707 /nfs/dbraw/zinc/94/57/07/414945707.db2.gz TUEKYTJXRMINFO-HUUCEWRRSA-N 3 2 296.459 0.504 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663005325 414945713 /nfs/dbraw/zinc/94/57/13/414945713.db2.gz TUEKYTJXRMINFO-HUUCEWRRSA-N 3 2 296.459 0.504 20 0 CCADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCOC2(C[NH2+]C2)C1 ZINC000663486913 415072767 /nfs/dbraw/zinc/07/27/67/415072767.db2.gz VXGQXEYDVRQHTD-UHFFFAOYSA-N 2 2 298.346 0.687 20 0 CCADLP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCOC2(C[NH2+]C2)C1 ZINC000663494167 415079017 /nfs/dbraw/zinc/07/90/17/415079017.db2.gz QHKMWQLHMLOOSP-UHFFFAOYSA-N 2 2 299.334 0.082 20 0 CCADLP CCc1nc(NCc2nc(C[NH3+])cc(=O)[nH]2)cc(C)[nH+]1 ZINC000663277077 415034670 /nfs/dbraw/zinc/03/46/70/415034670.db2.gz IXFUNGOFWDMJIN-UHFFFAOYSA-N 2 2 274.328 0.914 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)NCCOc2ccccc2)C1 ZINC000044530774 175195286 /nfs/dbraw/zinc/19/52/86/175195286.db2.gz NENWTDHWFBEDRY-AWEZNQCLSA-N 2 2 291.395 0.852 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)NCCOc2ccccc2)C1 ZINC000044530774 175195288 /nfs/dbraw/zinc/19/52/88/175195288.db2.gz NENWTDHWFBEDRY-AWEZNQCLSA-N 2 2 291.395 0.852 20 0 CCADLP CCN(C(=O)NCc1[nH+]ccn1C)[C@@H]1CC[N@H+](C)C1 ZINC000663976494 415190743 /nfs/dbraw/zinc/19/07/43/415190743.db2.gz VKBZOBANJBHWKZ-LLVKDONJSA-N 2 2 265.361 0.656 20 0 CCADLP CCN(C(=O)NCc1[nH+]ccn1C)[C@@H]1CC[N@@H+](C)C1 ZINC000663976494 415190749 /nfs/dbraw/zinc/19/07/49/415190749.db2.gz VKBZOBANJBHWKZ-LLVKDONJSA-N 2 2 265.361 0.656 20 0 CCADLP C[C@@H](CCNc1[nH+]cnc(-n2cccn2)c1N)[NH+](C)C ZINC000664244238 415298454 /nfs/dbraw/zinc/29/84/54/415298454.db2.gz QOPSFWHNRMHOGN-JTQLQIEISA-N 2 2 275.360 0.997 20 0 CCADLP C[C@@H](F)CCNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664969741 415501118 /nfs/dbraw/zinc/50/11/18/415501118.db2.gz USWILEZXYIQDOY-GFCCVEGCSA-N 2 2 276.400 0.917 20 0 CCADLP C[C@@H](F)CCNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664969741 415501125 /nfs/dbraw/zinc/50/11/25/415501125.db2.gz USWILEZXYIQDOY-GFCCVEGCSA-N 2 2 276.400 0.917 20 0 CCADLP CC[NH+](CC)CCOCCNC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000664649420 415441873 /nfs/dbraw/zinc/44/18/73/415441873.db2.gz XLKHCOAVMDOGGF-UHFFFAOYSA-N 2 2 297.403 0.910 20 0 CCADLP CC[NH+](CC)CCOCCNC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000664649420 415441878 /nfs/dbraw/zinc/44/18/78/415441878.db2.gz XLKHCOAVMDOGGF-UHFFFAOYSA-N 2 2 297.403 0.910 20 0 CCADLP C[NH+](C)C1(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000665379781 415624341 /nfs/dbraw/zinc/62/43/41/415624341.db2.gz ZGAAODDPYBJEOB-CYBMUJFWSA-N 2 2 281.400 0.404 20 0 CCADLP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000665282334 415587540 /nfs/dbraw/zinc/58/75/40/415587540.db2.gz VXYFPOQZASGEHJ-MGPQQGTHSA-N 3 2 255.406 0.716 20 0 CCADLP C[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)S(C)(=O)=O ZINC000665299933 415594114 /nfs/dbraw/zinc/59/41/14/415594114.db2.gz VNNWLDZGFRBOKG-BDAKNGLRSA-N 2 2 257.359 0.578 20 0 CCADLP C[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)S(C)(=O)=O ZINC000665299935 415594402 /nfs/dbraw/zinc/59/44/02/415594402.db2.gz VNNWLDZGFRBOKG-IUCAKERBSA-N 2 2 257.359 0.578 20 0 CCADLP CC[NH+](CC)CCCNc1[nH+]cnc2c1OCCN2 ZINC000665688670 416472706 /nfs/dbraw/zinc/47/27/06/416472706.db2.gz QWJYTRUZTLTOOU-UHFFFAOYSA-N 2 2 265.361 0.537 20 0 CCADLP CC[NH+](CC)CCCNc1nc[nH+]c2c1OCCN2 ZINC000665688670 416472708 /nfs/dbraw/zinc/47/27/08/416472708.db2.gz QWJYTRUZTLTOOU-UHFFFAOYSA-N 2 2 265.361 0.537 20 0 CCADLP C[N@@H+]1CC[C@@H]2CC[NH+](C[C@H]3CNc4ccnn4C3)[C@H]2C1 ZINC000684199764 545629182 /nfs/dbraw/zinc/62/91/82/545629182.db2.gz JMWMICDAORCMHQ-MCIONIFRSA-N 2 2 275.400 0.951 20 0 CCADLP C[N@H+]1CC[C@@H]2CC[NH+](C[C@H]3CNc4ccnn4C3)[C@H]2C1 ZINC000684199764 545629187 /nfs/dbraw/zinc/62/91/87/545629187.db2.gz JMWMICDAORCMHQ-MCIONIFRSA-N 2 2 275.400 0.951 20 0 CCADLP C[NH+]1CC[C@@H]2CC[N@H+](C[C@H]3CNc4ccnn4C3)[C@H]2C1 ZINC000684199764 545629189 /nfs/dbraw/zinc/62/91/89/545629189.db2.gz JMWMICDAORCMHQ-MCIONIFRSA-N 2 2 275.400 0.951 20 0 CCADLP C[NH+]1CC[C@@H]2CC[N@@H+](C[C@H]3CNc4ccnn4C3)[C@H]2C1 ZINC000684199764 545629193 /nfs/dbraw/zinc/62/91/93/545629193.db2.gz JMWMICDAORCMHQ-MCIONIFRSA-N 2 2 275.400 0.951 20 0 CCADLP C[C@@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)[C@H](C)[NH3+] ZINC000417920793 227177853 /nfs/dbraw/zinc/17/78/53/227177853.db2.gz HARISSOPDORBEQ-TUAOUCFPSA-N 2 2 277.372 0.695 20 0 CCADLP CS(=O)(=O)N1CCC([NH2+]CCCn2cc[nH+]c2)CC1 ZINC000049327977 544435304 /nfs/dbraw/zinc/43/53/04/544435304.db2.gz AALNEJIRCSKFKD-UHFFFAOYSA-N 2 2 286.401 0.287 20 0 CCADLP CS(=O)(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000061980617 544445907 /nfs/dbraw/zinc/44/59/07/544445907.db2.gz MMBLZXHPMAVVIA-GFCCVEGCSA-N 2 2 287.429 0.237 20 0 CCADLP CS(=O)(=O)N1CCC([NH2+][C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000061980617 544445910 /nfs/dbraw/zinc/44/59/10/544445910.db2.gz MMBLZXHPMAVVIA-GFCCVEGCSA-N 2 2 287.429 0.237 20 0 CCADLP COCCOCC[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000079405963 544474272 /nfs/dbraw/zinc/47/42/72/544474272.db2.gz HFCUMLGTSBTKAW-UHFFFAOYSA-N 2 2 294.399 0.878 20 0 CCADLP CC[NH+]1CCC([NH2+]Cc2ccc(S(N)(=O)=O)o2)CC1 ZINC000088539310 544508218 /nfs/dbraw/zinc/50/82/18/544508218.db2.gz LRMNVKXQHVNXOH-UHFFFAOYSA-N 2 2 287.385 0.501 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CCN(CCO)CC[NH+]1CCOCC1 ZINC000089614863 544515983 /nfs/dbraw/zinc/51/59/83/544515983.db2.gz NBARRDSBBOPFQO-OAHLLOKOSA-N 2 2 285.432 0.097 20 0 CCADLP C[N@H+]1CCC[C@@H]1CCN(CCO)CC[NH+]1CCOCC1 ZINC000089614863 544515987 /nfs/dbraw/zinc/51/59/87/544515987.db2.gz NBARRDSBBOPFQO-OAHLLOKOSA-N 2 2 285.432 0.097 20 0 CCADLP C[C@H](C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[NH+](C)C ZINC000635542711 419519863 /nfs/dbraw/zinc/51/98/63/419519863.db2.gz QLIGXCXXZUACRL-GFCCVEGCSA-N 2 2 295.387 0.104 20 0 CCADLP Nc1nc(-n2cccn2)cc(N2CCC[NH2+]CC2)[nH+]1 ZINC000634807285 419510309 /nfs/dbraw/zinc/51/03/09/419510309.db2.gz FNYJNGHVRNJMOE-UHFFFAOYSA-N 2 2 259.317 0.044 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cncs2)CC1 ZINC000133073280 544625391 /nfs/dbraw/zinc/62/53/91/544625391.db2.gz HWMPQQAWOPQNHF-UHFFFAOYSA-N 2 2 254.359 0.007 20 0 CCADLP CCC[C@H]([NH3+])c1cn(CC[NH+]2CCOCC2)nn1 ZINC000229969885 544850981 /nfs/dbraw/zinc/85/09/81/544850981.db2.gz YPBODAWKRCPFPI-NSHDSACASA-N 2 2 253.350 0.410 20 0 CCADLP C[C@H](NC(=O)CC1([NH3+])CCC1)[C@H](C)[NH+]1CCOCC1 ZINC000237572923 544895794 /nfs/dbraw/zinc/89/57/94/544895794.db2.gz QGDRCMBMJOXTGB-RYUDHWBXSA-N 2 2 269.389 0.483 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)NC2CCOCC2)CC[C@H]1[NH3+] ZINC000251731940 544927434 /nfs/dbraw/zinc/92/74/34/544927434.db2.gz KLOKJOSRFCPOQX-DGCLKSJQSA-N 2 2 269.389 0.341 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)NC2CCOCC2)CC[C@H]1[NH3+] ZINC000251731940 544927436 /nfs/dbraw/zinc/92/74/36/544927436.db2.gz KLOKJOSRFCPOQX-DGCLKSJQSA-N 2 2 269.389 0.341 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000521431470 262332604 /nfs/dbraw/zinc/33/26/04/262332604.db2.gz WWGATQCMRUJIQW-UWVGGRQHSA-N 2 2 252.318 0.437 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)NCc1ccc[nH+]c1N(C)C ZINC000236765806 275702640 /nfs/dbraw/zinc/70/26/40/275702640.db2.gz DKADLSLGKFNYPO-NSHDSACASA-N 2 2 250.346 0.747 20 0 CCADLP CC(=O)N(C)C1CC[NH+](Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000362278208 275756817 /nfs/dbraw/zinc/75/68/17/275756817.db2.gz NJTUHKHYUYRGAO-UHFFFAOYSA-N 2 2 293.415 0.929 20 0 CCADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000245434059 276248339 /nfs/dbraw/zinc/24/83/39/276248339.db2.gz PMQALTQTQRTVJI-GHMZBOCLSA-N 2 2 270.377 0.234 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000245434059 276248341 /nfs/dbraw/zinc/24/83/41/276248341.db2.gz PMQALTQTQRTVJI-GHMZBOCLSA-N 2 2 270.377 0.234 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000245434059 276248343 /nfs/dbraw/zinc/24/83/43/276248343.db2.gz PMQALTQTQRTVJI-GHMZBOCLSA-N 2 2 270.377 0.234 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000245434059 276248344 /nfs/dbraw/zinc/24/83/44/276248344.db2.gz PMQALTQTQRTVJI-GHMZBOCLSA-N 2 2 270.377 0.234 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377195023 276291983 /nfs/dbraw/zinc/29/19/83/276291983.db2.gz CKWNXLJKWSPDEW-BBRMVZONSA-N 3 2 296.459 0.789 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377195023 276291984 /nfs/dbraw/zinc/29/19/84/276291984.db2.gz CKWNXLJKWSPDEW-BBRMVZONSA-N 3 2 296.459 0.789 20 0 CCADLP CCO[C@@H]1C[C@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)[C@@H]1OC ZINC000425338741 276352917 /nfs/dbraw/zinc/35/29/17/276352917.db2.gz PZSTYKUDMGKIQD-XQQFMLRXSA-N 2 2 282.388 0.768 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCOC3)C2)CC1 ZINC000369269110 277027439 /nfs/dbraw/zinc/02/74/39/277027439.db2.gz VQUGMSVEJPSULI-ZIAGYGMSSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCOC3)C2)CC1 ZINC000369269110 277027440 /nfs/dbraw/zinc/02/74/40/277027440.db2.gz VQUGMSVEJPSULI-ZIAGYGMSSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCCC3)C2)CC1 ZINC000369251153 277027710 /nfs/dbraw/zinc/02/77/10/277027710.db2.gz RGUQOVIFQPHCGS-CYBMUJFWSA-N 2 2 280.416 0.960 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCCC3)C2)CC1 ZINC000369251153 277027711 /nfs/dbraw/zinc/02/77/11/277027711.db2.gz RGUQOVIFQPHCGS-CYBMUJFWSA-N 2 2 280.416 0.960 20 0 CCADLP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000372324030 277081142 /nfs/dbraw/zinc/08/11/42/277081142.db2.gz FKKGXYMXLCDKDP-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000372324030 277081143 /nfs/dbraw/zinc/08/11/43/277081143.db2.gz FKKGXYMXLCDKDP-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP COC(=O)C1=NOC2(C1)CC[NH+](Cc1c[nH+]c[nH]1)CC2 ZINC000189932687 277311475 /nfs/dbraw/zinc/31/14/75/277311475.db2.gz AFSRNOPLQWDFDE-UHFFFAOYSA-N 2 2 278.312 0.694 20 0 CCADLP COC(=O)[C@H]1CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)[C@@H]1C ZINC000425330414 277395963 /nfs/dbraw/zinc/39/59/63/277395963.db2.gz APHLTDDLIGOWTH-PWSUYJOCSA-N 2 2 280.372 0.870 20 0 CCADLP COC(=O)[C@H]1CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)[C@@H]1C ZINC000425330414 277395965 /nfs/dbraw/zinc/39/59/65/277395965.db2.gz APHLTDDLIGOWTH-PWSUYJOCSA-N 2 2 280.372 0.870 20 0 CCADLP CC(C)C[C@H]([NH3+])C[NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000415118192 277489634 /nfs/dbraw/zinc/48/96/34/277489634.db2.gz WCACSORFBBUKBR-STQMWFEESA-N 2 2 293.415 0.879 20 0 CCADLP C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O)[C@H]1CCC[NH2+]1 ZINC000333308895 277632680 /nfs/dbraw/zinc/63/26/80/277632680.db2.gz RKCWBVUJLDTLRL-BNOWGMLFSA-N 2 2 291.399 0.646 20 0 CCADLP C[C@@H]1CSC[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000334942465 277955507 /nfs/dbraw/zinc/95/55/07/277955507.db2.gz CRZSHQHRNCNSHT-MNOVXSKESA-N 2 2 257.403 0.102 20 0 CCADLP C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000227121900 278057872 /nfs/dbraw/zinc/05/78/72/278057872.db2.gz DDIIIVKMOPNVHU-GXFFZTMASA-N 2 2 268.361 0.116 20 0 CCADLP C[C@@]1(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)CC[NH2+]C1 ZINC000262068743 278121949 /nfs/dbraw/zinc/12/19/49/278121949.db2.gz RWCNXAMIEZPUOT-ZJUUUORDSA-N 2 2 252.280 0.985 20 0 CCADLP C[C@@]1(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)CC[NH2+]C1 ZINC000262068743 278121950 /nfs/dbraw/zinc/12/19/50/278121950.db2.gz RWCNXAMIEZPUOT-ZJUUUORDSA-N 2 2 252.280 0.985 20 0 CCADLP C[C@H](CC(=O)N(C)C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427861686 278161898 /nfs/dbraw/zinc/16/18/98/278161898.db2.gz UALZNLFSBYUYOV-GHMZBOCLSA-N 2 2 250.346 0.654 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000351863906 278231712 /nfs/dbraw/zinc/23/17/12/278231712.db2.gz VOJBBDZRJMZEGP-GUBZILKMSA-N 2 2 279.306 0.819 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000351863906 278231715 /nfs/dbraw/zinc/23/17/15/278231715.db2.gz VOJBBDZRJMZEGP-GUBZILKMSA-N 2 2 279.306 0.819 20 0 CCADLP CC(=O)[C@H](NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C)C(C)C ZINC000420316613 278236677 /nfs/dbraw/zinc/23/66/77/278236677.db2.gz MSGJWJIANPCVMI-ZIAGYGMSSA-N 2 2 271.405 0.679 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000422743762 278257960 /nfs/dbraw/zinc/25/79/60/278257960.db2.gz RTZRWQAKHOQBNN-MJBXVCDLSA-N 3 2 282.432 0.304 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000422743762 278257962 /nfs/dbraw/zinc/25/79/62/278257962.db2.gz RTZRWQAKHOQBNN-MJBXVCDLSA-N 3 2 282.432 0.304 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCN1CC[NH+](C)C(C)(C)C1 ZINC000441349014 288097287 /nfs/dbraw/zinc/09/72/87/288097287.db2.gz RRDKNMRPGKBGLI-ZIAGYGMSSA-N 3 2 268.449 0.552 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCN1CC[NH+](C)C(C)(C)C1 ZINC000441349014 288097290 /nfs/dbraw/zinc/09/72/90/288097290.db2.gz RRDKNMRPGKBGLI-ZIAGYGMSSA-N 3 2 268.449 0.552 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000441349014 288097292 /nfs/dbraw/zinc/09/72/92/288097292.db2.gz RRDKNMRPGKBGLI-ZIAGYGMSSA-N 3 2 268.449 0.552 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441349014 288097294 /nfs/dbraw/zinc/09/72/94/288097294.db2.gz RRDKNMRPGKBGLI-ZIAGYGMSSA-N 3 2 268.449 0.552 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(OC(=O)N(C)C)CC1 ZINC000496879793 279033567 /nfs/dbraw/zinc/03/35/67/279033567.db2.gz CBNHMIHCAYBAMT-GFCCVEGCSA-N 2 2 287.404 0.462 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(OC(=O)N(C)C)CC1 ZINC000496879793 279033570 /nfs/dbraw/zinc/03/35/70/279033570.db2.gz CBNHMIHCAYBAMT-GFCCVEGCSA-N 2 2 287.404 0.462 20 0 CCADLP Cc1cnn([C@@H]2CC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)C2)c1 ZINC000352416201 279034661 /nfs/dbraw/zinc/03/46/61/279034661.db2.gz SBKOQZKPVYPHNI-CABCVRRESA-N 2 2 278.400 0.893 20 0 CCADLP Cc1cnn([C@@H]2CC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)C2)c1 ZINC000352416201 279034662 /nfs/dbraw/zinc/03/46/62/279034662.db2.gz SBKOQZKPVYPHNI-CABCVRRESA-N 2 2 278.400 0.893 20 0 CCADLP Cc1cnn([C@@H]2CC[N@@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)c1 ZINC000352416201 279034663 /nfs/dbraw/zinc/03/46/63/279034663.db2.gz SBKOQZKPVYPHNI-CABCVRRESA-N 2 2 278.400 0.893 20 0 CCADLP Cc1cnn([C@@H]2CC[N@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)c1 ZINC000352416201 279034664 /nfs/dbraw/zinc/03/46/64/279034664.db2.gz SBKOQZKPVYPHNI-CABCVRRESA-N 2 2 278.400 0.893 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](CO)COC(C)C ZINC000517387339 279037792 /nfs/dbraw/zinc/03/77/92/279037792.db2.gz DGEULUFCLGBYKV-STQMWFEESA-N 2 2 262.394 0.017 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](CO)COC(C)C ZINC000517387339 279037793 /nfs/dbraw/zinc/03/77/93/279037793.db2.gz DGEULUFCLGBYKV-STQMWFEESA-N 2 2 262.394 0.017 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](CO)COC(C)C ZINC000517387339 279037794 /nfs/dbraw/zinc/03/77/94/279037794.db2.gz DGEULUFCLGBYKV-STQMWFEESA-N 2 2 262.394 0.017 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](CO)COC(C)C ZINC000517387339 279037795 /nfs/dbraw/zinc/03/77/95/279037795.db2.gz DGEULUFCLGBYKV-STQMWFEESA-N 2 2 262.394 0.017 20 0 CCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2COCC[NH+]2CC)C1 ZINC000347681037 279039699 /nfs/dbraw/zinc/03/96/99/279039699.db2.gz IVYRNZDZXWDGIV-ZIAGYGMSSA-N 2 2 283.416 0.507 20 0 CCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2COCC[NH+]2CC)C1 ZINC000347681037 279039700 /nfs/dbraw/zinc/03/97/00/279039700.db2.gz IVYRNZDZXWDGIV-ZIAGYGMSSA-N 2 2 283.416 0.507 20 0 CCADLP CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2CC)C1 ZINC000347681037 279039703 /nfs/dbraw/zinc/03/97/03/279039703.db2.gz IVYRNZDZXWDGIV-ZIAGYGMSSA-N 2 2 283.416 0.507 20 0 CCADLP CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2COCC[N@H+]2CC)C1 ZINC000347681037 279039705 /nfs/dbraw/zinc/03/97/05/279039705.db2.gz IVYRNZDZXWDGIV-ZIAGYGMSSA-N 2 2 283.416 0.507 20 0 CCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129114797 279069757 /nfs/dbraw/zinc/06/97/57/279069757.db2.gz XLTLOYFILKKTPC-CQSZACIVSA-N 2 2 283.416 0.509 20 0 CCADLP CCN(CC)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129114797 279069758 /nfs/dbraw/zinc/06/97/58/279069758.db2.gz XLTLOYFILKKTPC-CQSZACIVSA-N 2 2 283.416 0.509 20 0 CCADLP C[C@@H]1[C@H](C)N(CC[N@H+]2CCOC[C@@H]2C)CC[NH+]1C ZINC000337196101 279104084 /nfs/dbraw/zinc/10/40/84/279104084.db2.gz XESLRTDFQZXLTP-MJBXVCDLSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1[C@H](C)N(CC[N@@H+]2CCOC[C@@H]2C)CC[NH+]1C ZINC000337196101 279104088 /nfs/dbraw/zinc/10/40/88/279104088.db2.gz XESLRTDFQZXLTP-MJBXVCDLSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1[C@H](C)N(CC[NH+]2CCOC[C@@H]2C)CC[N@@H+]1C ZINC000337196101 279104089 /nfs/dbraw/zinc/10/40/89/279104089.db2.gz XESLRTDFQZXLTP-MJBXVCDLSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1[C@H](C)N(CC[NH+]2CCOC[C@@H]2C)CC[N@H+]1C ZINC000337196101 279104090 /nfs/dbraw/zinc/10/40/90/279104090.db2.gz XESLRTDFQZXLTP-MJBXVCDLSA-N 2 2 255.406 0.732 20 0 CCADLP CC(C)C[C@H](CNC(=O)[C@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000040430597 279160854 /nfs/dbraw/zinc/16/08/54/279160854.db2.gz XFTKPXFDRCHYIB-ZIAGYGMSSA-N 2 2 283.416 0.602 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000414705737 279179544 /nfs/dbraw/zinc/17/95/44/279179544.db2.gz XIZROKJOTJHUTK-NEPJUHHUSA-N 2 2 277.434 0.360 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000414705737 279179545 /nfs/dbraw/zinc/17/95/45/279179545.db2.gz XIZROKJOTJHUTK-NEPJUHHUSA-N 2 2 277.434 0.360 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000422789023 279399241 /nfs/dbraw/zinc/39/92/41/279399241.db2.gz SVJTZLYFCRGMQY-JTQLQIEISA-N 2 2 259.313 0.734 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000283373332 280186638 /nfs/dbraw/zinc/18/66/38/280186638.db2.gz JOWCZJJHGSHOGX-LLVKDONJSA-N 2 2 294.399 0.564 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000283373332 280186643 /nfs/dbraw/zinc/18/66/43/280186643.db2.gz JOWCZJJHGSHOGX-LLVKDONJSA-N 2 2 294.399 0.564 20 0 CCADLP O=S1(=O)CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000069136870 280346047 /nfs/dbraw/zinc/34/60/47/280346047.db2.gz FSCRZKNAPJDJJN-RYUDHWBXSA-N 2 2 272.414 0.638 20 0 CCADLP O=S1(=O)CCC[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000069136870 280346049 /nfs/dbraw/zinc/34/60/49/280346049.db2.gz FSCRZKNAPJDJJN-RYUDHWBXSA-N 2 2 272.414 0.638 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCN1CC[NH+]2CCC[C@@H]2C1 ZINC000192979473 288344384 /nfs/dbraw/zinc/34/43/84/288344384.db2.gz LYJSOEFWMPCYQC-ZIAGYGMSSA-N 2 2 253.390 0.487 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCN1CC[NH+]2CCC[C@@H]2C1 ZINC000192979473 288344388 /nfs/dbraw/zinc/34/43/88/288344388.db2.gz LYJSOEFWMPCYQC-ZIAGYGMSSA-N 2 2 253.390 0.487 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000192979473 288344390 /nfs/dbraw/zinc/34/43/90/288344390.db2.gz LYJSOEFWMPCYQC-ZIAGYGMSSA-N 2 2 253.390 0.487 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN1CC[N@H+]2CCC[C@@H]2C1 ZINC000192979473 288344393 /nfs/dbraw/zinc/34/43/93/288344393.db2.gz LYJSOEFWMPCYQC-ZIAGYGMSSA-N 2 2 253.390 0.487 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCN1CC[C@H]([NH+]2CCCC2)C1 ZINC000191473101 288345590 /nfs/dbraw/zinc/34/55/90/288345590.db2.gz MWGVVTBGPUBZTR-CABCVRRESA-N 2 2 267.417 0.877 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCN1CC[C@H]([NH+]2CCCC2)C1 ZINC000191473101 288345591 /nfs/dbraw/zinc/34/55/91/288345591.db2.gz MWGVVTBGPUBZTR-CABCVRRESA-N 2 2 267.417 0.877 20 0 CCADLP C[NH+](C)C1(CNC(=O)CCn2cc[nH+]c2)CCOCC1 ZINC000265058602 282029263 /nfs/dbraw/zinc/02/92/63/282029263.db2.gz VHJRVZYOSLHHAB-UHFFFAOYSA-N 2 2 280.372 0.500 20 0 CCADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000343446859 289016871 /nfs/dbraw/zinc/01/68/71/289016871.db2.gz XXMOPTZHNLZNSH-IVZWLZJFSA-N 2 2 261.316 0.440 20 0 CCADLP C[C@H](C(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C)[NH+]1CCSCC1 ZINC000352015948 289308704 /nfs/dbraw/zinc/30/87/04/289308704.db2.gz UCOLEEWEIVGULT-JHJVBQTASA-N 2 2 285.457 0.975 20 0 CCADLP C[C@H](C(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C)[NH+]1CCSCC1 ZINC000352015948 289308705 /nfs/dbraw/zinc/30/87/05/289308705.db2.gz UCOLEEWEIVGULT-JHJVBQTASA-N 2 2 285.457 0.975 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000245437296 289338626 /nfs/dbraw/zinc/33/86/26/289338626.db2.gz DTFHVSZNTQLXDV-GHMZBOCLSA-N 2 2 270.377 0.376 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245437296 289338610 /nfs/dbraw/zinc/33/86/10/289338610.db2.gz DTFHVSZNTQLXDV-GHMZBOCLSA-N 2 2 270.377 0.376 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245437296 289338619 /nfs/dbraw/zinc/33/86/19/289338619.db2.gz DTFHVSZNTQLXDV-GHMZBOCLSA-N 2 2 270.377 0.376 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000245437296 289338622 /nfs/dbraw/zinc/33/86/22/289338622.db2.gz DTFHVSZNTQLXDV-GHMZBOCLSA-N 2 2 270.377 0.376 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000493971614 290036855 /nfs/dbraw/zinc/03/68/55/290036855.db2.gz YKQVEYXIFNXJQA-APIJFGDWSA-N 2 2 279.428 0.779 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000493971614 290036856 /nfs/dbraw/zinc/03/68/56/290036856.db2.gz YKQVEYXIFNXJQA-APIJFGDWSA-N 2 2 279.428 0.779 20 0 CCADLP C[C@H]([NH2+][C@H]1CC(=O)N2CCCC[C@H]12)[C@H]1CCC[NH2+]1 ZINC000423106472 290039234 /nfs/dbraw/zinc/03/92/34/290039234.db2.gz CYJMYADBYRPHCT-QNWHQSFQSA-N 2 2 251.374 0.870 20 0 CCADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC(=O)NC[C@@H]1CCCO1)C2 ZINC000383356056 545085091 /nfs/dbraw/zinc/08/50/91/545085091.db2.gz CJRFPRIPHNPFRJ-YDHLFZDLSA-N 2 2 281.400 0.342 20 0 CCADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC(=O)NC[C@@H]1CCCO1)C2 ZINC000383356056 545085092 /nfs/dbraw/zinc/08/50/92/545085092.db2.gz CJRFPRIPHNPFRJ-YDHLFZDLSA-N 2 2 281.400 0.342 20 0 CCADLP O=C(C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)N1CCCCCC1 ZINC000261609845 295506580 /nfs/dbraw/zinc/50/65/80/295506580.db2.gz DRDCYPHBSVNCRH-HNNXBMFYSA-N 2 2 294.443 0.369 20 0 CCADLP O=C(C[C@H]1C[NH2+]CCO1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000430686884 295547576 /nfs/dbraw/zinc/54/75/76/295547576.db2.gz ODEOQXKJWQPUKB-RYUDHWBXSA-N 2 2 278.356 0.494 20 0 CCADLP C[C@H](C(=O)N1CCc2ccccc21)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420350467 298089049 /nfs/dbraw/zinc/08/90/49/298089049.db2.gz GYUZDLIZIRRKKM-YPMHNXCESA-N 2 2 277.368 0.216 20 0 CCADLP C[C@H](C(=O)N1CCc2ccccc21)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420350467 298089051 /nfs/dbraw/zinc/08/90/51/298089051.db2.gz GYUZDLIZIRRKKM-YPMHNXCESA-N 2 2 277.368 0.216 20 0 CCADLP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261556033 298130000 /nfs/dbraw/zinc/13/00/00/298130000.db2.gz BVCGZABUXBONIV-GRYCIOLGSA-N 2 2 253.390 0.973 20 0 CCADLP C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261556033 298130004 /nfs/dbraw/zinc/13/00/04/298130004.db2.gz BVCGZABUXBONIV-GRYCIOLGSA-N 2 2 253.390 0.973 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000416831648 298955298 /nfs/dbraw/zinc/95/52/98/298955298.db2.gz STENDKZRXNIHQW-NSHDSACASA-N 2 2 272.393 0.134 20 0 CCADLP C[C@H]1CN(C(=O)C2([NH3+])CCCCC2)C[C@H]1[NH+]1CCOCC1 ZINC000262651756 300111596 /nfs/dbraw/zinc/11/15/96/300111596.db2.gz RMPSSWHZJWYUOS-UONOGXRCSA-N 2 2 295.427 0.827 20 0 CCADLP NC(=O)[C@@H](c1ccccc1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352494853 303290100 /nfs/dbraw/zinc/29/01/00/303290100.db2.gz GEVGIVQLKIHCCA-HUUCEWRRSA-N 2 2 288.395 0.193 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000290979345 303662450 /nfs/dbraw/zinc/66/24/50/303662450.db2.gz CQBRJVURIYXSJH-ZDUSSCGKSA-N 2 2 278.356 0.206 20 0 CCADLP Cc1[nH+]cc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)n1C ZINC000570816615 327622002 /nfs/dbraw/zinc/62/20/02/327622002.db2.gz RXGUZDUMIKUBBF-VXGBXAGGSA-N 2 2 253.346 0.463 20 0 CCADLP COCC(COC)[NH+]1CCN(c2nc(C)[nH+]cc2C)CC1 ZINC000570865433 327628913 /nfs/dbraw/zinc/62/89/13/327628913.db2.gz BCXWVOXRPDEUFL-UHFFFAOYSA-N 2 2 294.399 0.877 20 0 CCADLP O=C(NCC[NH+]1CCOCC1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000574905605 327637847 /nfs/dbraw/zinc/63/78/47/327637847.db2.gz LXJABUHWORBLNB-OAHLLOKOSA-N 2 2 296.415 0.104 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)no1 ZINC000574982905 328234684 /nfs/dbraw/zinc/23/46/84/328234684.db2.gz PRZPQDGSZILKNR-ZYHUDNBSSA-N 2 2 292.383 0.948 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)no1 ZINC000574982905 328234686 /nfs/dbraw/zinc/23/46/86/328234686.db2.gz PRZPQDGSZILKNR-ZYHUDNBSSA-N 2 2 292.383 0.948 20 0 CCADLP CC(C)[C@H](C(=O)N(C)Cc1[nH+]ccn1C)[C@@H](C)[NH3+] ZINC000399486154 326806306 /nfs/dbraw/zinc/80/63/06/326806306.db2.gz YZQYOHNTJXTFIU-PWSUYJOCSA-N 2 2 252.362 0.998 20 0 CCADLP C[NH2+]CCC[N@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000584116284 327042129 /nfs/dbraw/zinc/04/21/29/327042129.db2.gz RCVOEQSWJFAFBL-UHFFFAOYSA-N 3 2 284.448 0.517 20 0 CCADLP C[NH2+]CCC[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000584116284 327042130 /nfs/dbraw/zinc/04/21/30/327042130.db2.gz RCVOEQSWJFAFBL-UHFFFAOYSA-N 3 2 284.448 0.517 20 0 CCADLP CS[C@@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)C[C@H]1[NH+](C)C ZINC000584182119 327061443 /nfs/dbraw/zinc/06/14/43/327061443.db2.gz RPMZUIMXEIIHFZ-VXGBXAGGSA-N 2 2 285.457 0.832 20 0 CCADLP C[C@](O)(C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)C1CC1 ZINC000584239326 327102962 /nfs/dbraw/zinc/10/29/62/327102962.db2.gz UCCSMKYHHZSDGP-RDBSUJKOSA-N 2 2 254.374 0.504 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000583371573 327328488 /nfs/dbraw/zinc/32/84/88/327328488.db2.gz YKCYGJNYDDBIKY-CQSZACIVSA-N 2 2 298.431 0.350 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H](O)COC1CCOCC1 ZINC000574565532 327349492 /nfs/dbraw/zinc/34/94/92/327349492.db2.gz VKLJTZKCYKRXHG-IVMMDQJWSA-N 2 2 298.427 0.615 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H](O)COC1CCOCC1 ZINC000574565532 327349493 /nfs/dbraw/zinc/34/94/93/327349493.db2.gz VKLJTZKCYKRXHG-IVMMDQJWSA-N 2 2 298.427 0.615 20 0 CCADLP Cc1[nH+]cc2n1C[C@H](C(=O)NCCc1[nH]cc[nH+]1)CC2 ZINC000582669455 329122457 /nfs/dbraw/zinc/12/24/57/329122457.db2.gz PHPDTIPIPDUIHB-LLVKDONJSA-N 2 2 273.340 0.836 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCc2ccc(O)cc2)[C@@H](C[NH3+])C1 ZINC000582654868 329125494 /nfs/dbraw/zinc/12/54/94/329125494.db2.gz VINHGHZODFOVIL-ZDUSSCGKSA-N 2 2 292.383 0.219 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCc2ccc(O)cc2)[C@@H](C[NH3+])C1 ZINC000582654868 329125496 /nfs/dbraw/zinc/12/54/96/329125496.db2.gz VINHGHZODFOVIL-ZDUSSCGKSA-N 2 2 292.383 0.219 20 0 CCADLP [NH3+][C@@H](C(=O)NCC[N@H+]1CC=CCC1)c1cscn1 ZINC000582784320 329193996 /nfs/dbraw/zinc/19/39/96/329193996.db2.gz FZSYGBPQGQOZPK-LLVKDONJSA-N 2 2 266.370 0.521 20 0 CCADLP [NH3+][C@@H](C(=O)NCC[N@@H+]1CC=CCC1)c1cscn1 ZINC000582784320 329193997 /nfs/dbraw/zinc/19/39/97/329193997.db2.gz FZSYGBPQGQOZPK-LLVKDONJSA-N 2 2 266.370 0.521 20 0 CCADLP C[NH2+]CCC[NH2+][C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000582905746 329284197 /nfs/dbraw/zinc/28/41/97/329284197.db2.gz FJFVNQTUDMRSEE-ZDUSSCGKSA-N 2 2 270.398 0.971 20 0 CCADLP NC(=O)[C@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000574994915 330126053 /nfs/dbraw/zinc/12/60/53/330126053.db2.gz OXZGNTNMZRCXAK-CQSZACIVSA-N 2 2 275.352 0.018 20 0 CCADLP NC(=O)[C@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000574994915 330126054 /nfs/dbraw/zinc/12/60/54/330126054.db2.gz OXZGNTNMZRCXAK-CQSZACIVSA-N 2 2 275.352 0.018 20 0 CCADLP COC[C@H](C)C[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000575741930 335110856 /nfs/dbraw/zinc/11/08/56/335110856.db2.gz XTLOPIMASHGGTP-RFGFWPKPSA-N 2 2 274.405 0.329 20 0 CCADLP COc1ccncc1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000575795178 335115530 /nfs/dbraw/zinc/11/55/30/335115530.db2.gz XFYDZPJHVBAVGX-LSDHHAIUSA-N 2 2 277.368 0.947 20 0 CCADLP CO[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000575833936 335120808 /nfs/dbraw/zinc/12/08/08/335120808.db2.gz DHQCFDUKQFTBBW-BTFPBAQTSA-N 2 2 286.416 0.614 20 0 CCADLP CO[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000575833939 335120946 /nfs/dbraw/zinc/12/09/46/335120946.db2.gz DHQCFDUKQFTBBW-XPABHHOTSA-N 2 2 286.416 0.614 20 0 CCADLP CO[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000575833939 335120948 /nfs/dbraw/zinc/12/09/48/335120948.db2.gz DHQCFDUKQFTBBW-XPABHHOTSA-N 2 2 286.416 0.614 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000553381195 334381330 /nfs/dbraw/zinc/38/13/30/334381330.db2.gz QOZSTTODOJMPMZ-IQLKVPPVSA-N 2 2 280.372 0.191 20 0 CCADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000553381195 334381331 /nfs/dbraw/zinc/38/13/31/334381331.db2.gz QOZSTTODOJMPMZ-IQLKVPPVSA-N 2 2 280.372 0.191 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)[NH+]1CC(C)C1 ZINC000553496910 334388551 /nfs/dbraw/zinc/38/85/51/334388551.db2.gz IDABFORTNQGUGJ-GJZGRUSLSA-N 2 2 295.427 0.507 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(CC[NH3+])CC2)CC1 ZINC000573096807 334908127 /nfs/dbraw/zinc/90/81/27/334908127.db2.gz GLDZKNBGIUWWFS-CQSZACIVSA-N 3 2 296.459 0.600 20 0 CCADLP Cc1cc(NC(=O)c2cn(CCC[NH3+])nn2)cc[nH+]1 ZINC000573116966 334910135 /nfs/dbraw/zinc/91/01/35/334910135.db2.gz AXCGRUNLJSARTF-UHFFFAOYSA-N 2 2 260.301 0.005 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C ZINC000576410073 335200560 /nfs/dbraw/zinc/20/05/60/335200560.db2.gz HOWCCXCWWDFQLO-OUCADQQQSA-N 2 2 294.399 0.502 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C ZINC000576410073 335200561 /nfs/dbraw/zinc/20/05/61/335200561.db2.gz HOWCCXCWWDFQLO-OUCADQQQSA-N 2 2 294.399 0.502 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C ZINC000576410073 335200563 /nfs/dbraw/zinc/20/05/63/335200563.db2.gz HOWCCXCWWDFQLO-OUCADQQQSA-N 2 2 294.399 0.502 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C ZINC000576410073 335200564 /nfs/dbraw/zinc/20/05/64/335200564.db2.gz HOWCCXCWWDFQLO-OUCADQQQSA-N 2 2 294.399 0.502 20 0 CCADLP Cc1c[nH+]c(C)nc1NCc1c[nH+]c(N(C)C)n1C ZINC000576411757 335201020 /nfs/dbraw/zinc/20/10/20/335201020.db2.gz HKJZNQCDBABAEC-UHFFFAOYSA-N 2 2 260.345 0.927 20 0 CCADLP CC(C)Cn1cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cn1 ZINC000576479173 335209967 /nfs/dbraw/zinc/20/99/67/335209967.db2.gz BLXAEIHBNHAKSS-KBPBESRZSA-N 2 2 291.399 0.283 20 0 CCADLP CC(C)Cn1cc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cn1 ZINC000576479173 335209969 /nfs/dbraw/zinc/20/99/69/335209969.db2.gz BLXAEIHBNHAKSS-KBPBESRZSA-N 2 2 291.399 0.283 20 0 CCADLP CC[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccncc1 ZINC000576568754 335219854 /nfs/dbraw/zinc/21/98/54/335219854.db2.gz LWSWYYAQBPPSEZ-KBPBESRZSA-N 2 2 291.399 0.817 20 0 CCADLP CC[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccncc1 ZINC000576568754 335219855 /nfs/dbraw/zinc/21/98/55/335219855.db2.gz LWSWYYAQBPPSEZ-KBPBESRZSA-N 2 2 291.399 0.817 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2C2CCC2)[C@H](C[NH3+])C1 ZINC000576593784 335223908 /nfs/dbraw/zinc/22/39/08/335223908.db2.gz ZVRVFIZMAGWKBV-FRRDWIJNSA-N 2 2 251.374 0.524 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2C2CCC2)[C@H](C[NH3+])C1 ZINC000576593784 335223909 /nfs/dbraw/zinc/22/39/09/335223909.db2.gz ZVRVFIZMAGWKBV-FRRDWIJNSA-N 2 2 251.374 0.524 20 0 CCADLP Cn1c[nH+]cc1CNc1nc(N)c2ccccc2[nH+]1 ZINC000576796454 335248566 /nfs/dbraw/zinc/24/85/66/335248566.db2.gz XUFYECGMYZJVIB-UHFFFAOYSA-N 2 2 254.297 0.810 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cc1c[nH+]cn1C ZINC000577015993 335282381 /nfs/dbraw/zinc/28/23/81/335282381.db2.gz FCCFUKCOUMPELJ-WDEREUQCSA-N 2 2 250.346 0.514 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)Cc1c[nH+]cn1C ZINC000577015993 335282383 /nfs/dbraw/zinc/28/23/83/335282383.db2.gz FCCFUKCOUMPELJ-WDEREUQCSA-N 2 2 250.346 0.514 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000577230480 335327218 /nfs/dbraw/zinc/32/72/18/335327218.db2.gz ONOMXZBSQTUMOS-QWRGUYRKSA-N 2 2 262.357 0.941 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000577230480 335327219 /nfs/dbraw/zinc/32/72/19/335327219.db2.gz ONOMXZBSQTUMOS-QWRGUYRKSA-N 2 2 262.357 0.941 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000577230480 335327220 /nfs/dbraw/zinc/32/72/20/335327220.db2.gz ONOMXZBSQTUMOS-QWRGUYRKSA-N 2 2 262.357 0.941 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000577230480 335327221 /nfs/dbraw/zinc/32/72/21/335327221.db2.gz ONOMXZBSQTUMOS-QWRGUYRKSA-N 2 2 262.357 0.941 20 0 CCADLP CC(C)c1nc(N2C[C@H](C)[C@H]([NH3+])C2)nc(N(C)C)[nH+]1 ZINC000577270724 335332638 /nfs/dbraw/zinc/33/26/38/335332638.db2.gz XIJNOBPEIWMDHC-VHSXEESVSA-N 2 2 264.377 0.844 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCc2cnccn2)C[C@@H](C)O1 ZINC000577485426 335357396 /nfs/dbraw/zinc/35/73/96/335357396.db2.gz VMGNMSIKWZAEPQ-UMVBOHGHSA-N 2 2 294.399 0.079 20 0 CCADLP CC(C)CNC(=O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177377077 335371090 /nfs/dbraw/zinc/37/10/90/335371090.db2.gz IVXIYXPQRKHPDK-UHFFFAOYSA-N 2 2 298.475 0.716 20 0 CCADLP CC(C)CNC(=O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177377077 335371091 /nfs/dbraw/zinc/37/10/91/335371091.db2.gz IVXIYXPQRKHPDK-UHFFFAOYSA-N 2 2 298.475 0.716 20 0 CCADLP CC(C)CNC(=O)CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177377077 335371093 /nfs/dbraw/zinc/37/10/93/335371093.db2.gz IVXIYXPQRKHPDK-UHFFFAOYSA-N 2 2 298.475 0.716 20 0 CCADLP CC(C)CNC(=O)CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177377077 335371094 /nfs/dbraw/zinc/37/10/94/335371094.db2.gz IVXIYXPQRKHPDK-UHFFFAOYSA-N 2 2 298.475 0.716 20 0 CCADLP Cn1cc[nH+]c1[C@@H](NC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000577716583 335391681 /nfs/dbraw/zinc/39/16/81/335391681.db2.gz IBLGMUJPHLSZKC-LBPRGKRZSA-N 2 2 277.372 0.828 20 0 CCADLP Cc1ccc(NCCCNC(=O)CC(F)(F)C[NH3+])[nH+]c1 ZINC000579019434 335701137 /nfs/dbraw/zinc/70/11/37/335701137.db2.gz KVUSPHXSILPBEL-UHFFFAOYSA-N 2 2 286.326 0.714 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(c2nc(C)cs2)CC1 ZINC000581014932 335996995 /nfs/dbraw/zinc/99/69/95/335996995.db2.gz DFYYHLNKBZIKSG-CYBMUJFWSA-N 2 2 284.429 0.544 20 0 CCADLP C[C@H](C(=O)Nc1nc2c(s1)C[N@H+](C)CC2)C1C[NH2+]C1 ZINC000581127973 336011883 /nfs/dbraw/zinc/01/18/83/336011883.db2.gz MSDJXXGIHQBBKS-QMMMGPOBSA-N 2 2 280.397 0.925 20 0 CCADLP C[C@H](C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)C1C[NH2+]C1 ZINC000581127973 336011884 /nfs/dbraw/zinc/01/18/84/336011884.db2.gz MSDJXXGIHQBBKS-QMMMGPOBSA-N 2 2 280.397 0.925 20 0 CCADLP CNc1[nH+]cnc2c1cnn2C[C@H](O)C[N@H+](C)C(C)C ZINC000581141887 336015318 /nfs/dbraw/zinc/01/53/18/336015318.db2.gz CWJCTVOEYQPHSL-SNVBAGLBSA-N 2 2 278.360 0.569 20 0 CCADLP CNc1[nH+]cnc2c1cnn2C[C@H](O)C[N@@H+](C)C(C)C ZINC000581141887 336015320 /nfs/dbraw/zinc/01/53/20/336015320.db2.gz CWJCTVOEYQPHSL-SNVBAGLBSA-N 2 2 278.360 0.569 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@H](C)C1 ZINC000381165030 336053017 /nfs/dbraw/zinc/05/30/17/336053017.db2.gz TXWMOPLKCXRIHF-MCIONIFRSA-N 2 2 258.406 0.903 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@H](C)C1 ZINC000381165030 336053019 /nfs/dbraw/zinc/05/30/19/336053019.db2.gz TXWMOPLKCXRIHF-MCIONIFRSA-N 2 2 258.406 0.903 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000381165030 336053020 /nfs/dbraw/zinc/05/30/20/336053020.db2.gz TXWMOPLKCXRIHF-MCIONIFRSA-N 2 2 258.406 0.903 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000381165030 336053021 /nfs/dbraw/zinc/05/30/21/336053021.db2.gz TXWMOPLKCXRIHF-MCIONIFRSA-N 2 2 258.406 0.903 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)OC(C)(C)C1 ZINC000382268199 336085196 /nfs/dbraw/zinc/08/51/96/336085196.db2.gz BHAUKYOQWJUHKY-QWHCGFSZSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)OC(C)(C)C1 ZINC000382268199 336085198 /nfs/dbraw/zinc/08/51/98/336085198.db2.gz BHAUKYOQWJUHKY-QWHCGFSZSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000382268199 336085199 /nfs/dbraw/zinc/08/51/99/336085199.db2.gz BHAUKYOQWJUHKY-QWHCGFSZSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000382268199 336085200 /nfs/dbraw/zinc/08/52/00/336085200.db2.gz BHAUKYOQWJUHKY-QWHCGFSZSA-N 2 2 274.405 0.425 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](N2CCOCC2)C1 ZINC000382767395 336096708 /nfs/dbraw/zinc/09/67/08/336096708.db2.gz UDJDXGJMESTTSC-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](N2CCOCC2)C1 ZINC000382767395 336096710 /nfs/dbraw/zinc/09/67/10/336096710.db2.gz UDJDXGJMESTTSC-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000382767395 336096711 /nfs/dbraw/zinc/09/67/11/336096711.db2.gz UDJDXGJMESTTSC-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000382767395 336096713 /nfs/dbraw/zinc/09/67/13/336096713.db2.gz UDJDXGJMESTTSC-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]C2CC(F)(F)C2)C[C@H](C)O1 ZINC000581603218 336110249 /nfs/dbraw/zinc/11/02/49/336110249.db2.gz OURXYULUXWWSPR-UMNHJUIQSA-N 2 2 278.343 0.844 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCS[C@H](C)C1 ZINC000383566610 336114223 /nfs/dbraw/zinc/11/42/23/336114223.db2.gz JFYIGLXDCUGEJK-VXGBXAGGSA-N 2 2 262.419 0.363 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCS[C@H](C)C1 ZINC000383566610 336114224 /nfs/dbraw/zinc/11/42/24/336114224.db2.gz JFYIGLXDCUGEJK-VXGBXAGGSA-N 2 2 262.419 0.363 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCS[C@H](C)C1 ZINC000383566610 336114225 /nfs/dbraw/zinc/11/42/25/336114225.db2.gz JFYIGLXDCUGEJK-VXGBXAGGSA-N 2 2 262.419 0.363 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCS[C@H](C)C1 ZINC000383566610 336114226 /nfs/dbraw/zinc/11/42/26/336114226.db2.gz JFYIGLXDCUGEJK-VXGBXAGGSA-N 2 2 262.419 0.363 20 0 CCADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CC[NH2+]1 ZINC000384798483 336131464 /nfs/dbraw/zinc/13/14/64/336131464.db2.gz QTNKHXJZUDYHNQ-CQSZACIVSA-N 2 2 275.352 0.819 20 0 CCADLP CCOc1cccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)n1 ZINC000581773891 336145518 /nfs/dbraw/zinc/14/55/18/336145518.db2.gz YHDKSFLHLSWVAS-CYBMUJFWSA-N 2 2 265.357 0.948 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000386222050 336168318 /nfs/dbraw/zinc/16/83/18/336168318.db2.gz ZDRYFAGKMUGPDD-HZSPNIEDSA-N 2 2 258.406 0.903 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000386222050 336168320 /nfs/dbraw/zinc/16/83/20/336168320.db2.gz ZDRYFAGKMUGPDD-HZSPNIEDSA-N 2 2 258.406 0.903 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000386222050 336168321 /nfs/dbraw/zinc/16/83/21/336168321.db2.gz ZDRYFAGKMUGPDD-HZSPNIEDSA-N 2 2 258.406 0.903 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000386222050 336168322 /nfs/dbraw/zinc/16/83/22/336168322.db2.gz ZDRYFAGKMUGPDD-HZSPNIEDSA-N 2 2 258.406 0.903 20 0 CCADLP CCCC[C@@H](C[NH3+])NC(=O)NCc1c[nH+]cn1C ZINC000418227277 545094531 /nfs/dbraw/zinc/09/45/31/545094531.db2.gz XPCXLQMCRJTXSQ-JTQLQIEISA-N 2 2 253.350 0.737 20 0 CCADLP C[C@H]([NH2+]Cc1cccc(OCC(N)=O)c1)[C@@H]1CCC[NH2+]1 ZINC000422789624 533929996 /nfs/dbraw/zinc/92/99/96/533929996.db2.gz OPVVNLNUTIQQOP-FZMZJTMJSA-N 2 2 277.368 0.781 20 0 CCADLP CS[C@@H]1CC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000425366141 533986822 /nfs/dbraw/zinc/98/68/22/533986822.db2.gz ZOJRLTLPHFMHFI-QJPTWQEYSA-N 2 2 271.430 0.810 20 0 CCADLP CS[C@@H]1CC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000425366141 533986827 /nfs/dbraw/zinc/98/68/27/533986827.db2.gz ZOJRLTLPHFMHFI-QJPTWQEYSA-N 2 2 271.430 0.810 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]CCCN(C)S(=O)(=O)CC)[C@@H](C)C1 ZINC000357999704 535783944 /nfs/dbraw/zinc/78/39/44/535783944.db2.gz ANCPAIFYWSSDHJ-STQMWFEESA-N 2 2 291.461 0.588 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]CCCN(C)S(=O)(=O)CC)[C@@H](C)C1 ZINC000357999704 535783946 /nfs/dbraw/zinc/78/39/46/535783946.db2.gz ANCPAIFYWSSDHJ-STQMWFEESA-N 2 2 291.461 0.588 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]CCN2CCOC[C@@H]2C)[C@@H](C)C1 ZINC000347767259 535784009 /nfs/dbraw/zinc/78/40/09/535784009.db2.gz CNGOXFFSJZGRBM-IHRRRGAJSA-N 2 2 255.406 0.637 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]CCN2CCOC[C@@H]2C)[C@@H](C)C1 ZINC000347767259 535784011 /nfs/dbraw/zinc/78/40/11/535784011.db2.gz CNGOXFFSJZGRBM-IHRRRGAJSA-N 2 2 255.406 0.637 20 0 CCADLP C[C@@H](CO)[N@@H+]1CCCN(Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000425330151 534129376 /nfs/dbraw/zinc/12/93/76/534129376.db2.gz AFYOIADQTYRXBE-ZDUSSCGKSA-N 2 2 295.431 0.375 20 0 CCADLP C[C@@H](CO)[N@H+]1CCCN(Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000425330151 534129381 /nfs/dbraw/zinc/12/93/81/534129381.db2.gz AFYOIADQTYRXBE-ZDUSSCGKSA-N 2 2 295.431 0.375 20 0 CCADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cn[nH]c1 ZINC000284016619 518183250 /nfs/dbraw/zinc/18/32/50/518183250.db2.gz IONUWBHFSMYJKY-JQWIXIFHSA-N 2 2 265.361 0.400 20 0 CCADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cn[nH]c1 ZINC000284016619 518183251 /nfs/dbraw/zinc/18/32/51/518183251.db2.gz IONUWBHFSMYJKY-JQWIXIFHSA-N 2 2 265.361 0.400 20 0 CCADLP CC(C)(C(N)=O)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000343313235 534392345 /nfs/dbraw/zinc/39/23/45/534392345.db2.gz GJAFENWOIQPKKE-UHFFFAOYSA-N 2 2 279.388 0.155 20 0 CCADLP CCC[C@@H]([NH2+]C(C)C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000353106214 520758709 /nfs/dbraw/zinc/75/87/09/520758709.db2.gz BKYKZCQMVIVWAV-UONOGXRCSA-N 2 2 285.432 0.990 20 0 CCADLP CCC[C@@H]([NH2+]C(C)C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000353106214 520758714 /nfs/dbraw/zinc/75/87/14/520758714.db2.gz BKYKZCQMVIVWAV-UONOGXRCSA-N 2 2 285.432 0.990 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH+]1CCOCC1(C)C ZINC000359283232 521478342 /nfs/dbraw/zinc/47/83/42/521478342.db2.gz YKONPVNGEYPUKA-UHFFFAOYSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH+]1CCOCC1(C)C ZINC000359283232 521478346 /nfs/dbraw/zinc/47/83/46/521478346.db2.gz YKONPVNGEYPUKA-UHFFFAOYSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[NH+](C)CC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000359283232 521478350 /nfs/dbraw/zinc/47/83/50/521478350.db2.gz YKONPVNGEYPUKA-UHFFFAOYSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[NH+](C)CC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000359283232 521478356 /nfs/dbraw/zinc/47/83/56/521478356.db2.gz YKONPVNGEYPUKA-UHFFFAOYSA-N 2 2 271.405 0.555 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156537434 521740951 /nfs/dbraw/zinc/74/09/51/521740951.db2.gz ZIZGVXHJUGMEQH-VXGBXAGGSA-N 2 2 293.371 0.612 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156537434 521740952 /nfs/dbraw/zinc/74/09/52/521740952.db2.gz ZIZGVXHJUGMEQH-VXGBXAGGSA-N 2 2 293.371 0.612 20 0 CCADLP CN(C)c1cc2c(nn1)CC[N@H+](CCn1cc[nH+]c1)C2 ZINC000363459590 522126030 /nfs/dbraw/zinc/12/60/30/522126030.db2.gz OOGNQZHYOKZNLD-UHFFFAOYSA-N 2 2 272.356 0.797 20 0 CCADLP CN(C)c1cc2c(nn1)CC[N@@H+](CCn1cc[nH+]c1)C2 ZINC000363459590 522126041 /nfs/dbraw/zinc/12/60/41/522126041.db2.gz OOGNQZHYOKZNLD-UHFFFAOYSA-N 2 2 272.356 0.797 20 0 CCADLP [NH3+]CCCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000418357021 534613772 /nfs/dbraw/zinc/61/37/72/534613772.db2.gz QHJZKBNLJOXESL-GFCCVEGCSA-N 2 2 264.329 0.593 20 0 CCADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C[NH3+] ZINC000366329232 522712924 /nfs/dbraw/zinc/71/29/24/522712924.db2.gz XVTWDPFQQQTXNC-UHFFFAOYSA-N 3 2 296.459 0.600 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000353438924 523848991 /nfs/dbraw/zinc/84/89/91/523848991.db2.gz CMUQKBWBDPFPIT-HNNXBMFYSA-N 2 2 295.427 0.651 20 0 CCADLP C[NH+](C)CC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000340004705 524044863 /nfs/dbraw/zinc/04/48/63/524044863.db2.gz SZUOOEMKKQUPIC-UHFFFAOYSA-N 2 2 291.395 0.697 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000366093446 524158697 /nfs/dbraw/zinc/15/86/97/524158697.db2.gz SLIUPEZLQJOLIK-OCCSQVGLSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000366093446 524158701 /nfs/dbraw/zinc/15/87/01/524158701.db2.gz SLIUPEZLQJOLIK-OCCSQVGLSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000052881824 524354805 /nfs/dbraw/zinc/35/48/05/524354805.db2.gz RJFYKMOQDOIKNK-CJNGLKHVSA-N 2 2 291.395 0.697 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1CC[C@H](CO)O1 ZINC000340411191 524918767 /nfs/dbraw/zinc/91/87/67/524918767.db2.gz DNKGQXRGJAWHGT-ZRJCITRHSA-N 2 2 254.374 0.599 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1CC[C@H](CO)O1 ZINC000340411191 524918777 /nfs/dbraw/zinc/91/87/77/524918777.db2.gz DNKGQXRGJAWHGT-ZRJCITRHSA-N 2 2 254.374 0.599 20 0 CCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1c(F)cncc1F ZINC000353218756 525406211 /nfs/dbraw/zinc/40/62/11/525406211.db2.gz KCJPYOKCTQVVLP-SNVBAGLBSA-N 2 2 298.337 0.784 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H]([NH3+])c2ccccc2)C[C@H]1C ZINC000246729809 525761199 /nfs/dbraw/zinc/76/11/99/525761199.db2.gz YFOYMNFLHGSOPT-VNHYZAJKSA-N 2 2 291.395 0.600 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@H]([NH3+])c2ccccc2)C[C@H]1C ZINC000246729809 525761207 /nfs/dbraw/zinc/76/12/07/525761207.db2.gz YFOYMNFLHGSOPT-VNHYZAJKSA-N 2 2 291.395 0.600 20 0 CCADLP C[C@H](O)CNc1cc(N[C@@H](C)[C@H]2C[N@H+](C)CCO2)nc[nH+]1 ZINC000665707824 545104404 /nfs/dbraw/zinc/10/44/04/545104404.db2.gz DUTFXFGKDMPIBY-SDDRHHMPSA-N 2 2 295.387 0.400 20 0 CCADLP C[C@H](O)CNc1cc(N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)nc[nH+]1 ZINC000665707824 545104405 /nfs/dbraw/zinc/10/44/05/545104405.db2.gz DUTFXFGKDMPIBY-SDDRHHMPSA-N 2 2 295.387 0.400 20 0 CCADLP C1=CC[N@H+](CCNc2nc[nH+]c3c2OCCN3)CC1 ZINC000665715895 545105276 /nfs/dbraw/zinc/10/52/76/545105276.db2.gz LDJBUPLUKDQIGZ-UHFFFAOYSA-N 2 2 261.329 0.067 20 0 CCADLP C1=CC[N@@H+](CCNc2nc[nH+]c3c2OCCN3)CC1 ZINC000665715895 545105277 /nfs/dbraw/zinc/10/52/77/545105277.db2.gz LDJBUPLUKDQIGZ-UHFFFAOYSA-N 2 2 261.329 0.067 20 0 CCADLP CC(=O)N1CC[C@@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425363778 526652272 /nfs/dbraw/zinc/65/22/72/526652272.db2.gz WRWOUXCVPSDNGY-LLVKDONJSA-N 2 2 265.361 0.197 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000666449754 545123353 /nfs/dbraw/zinc/12/33/53/545123353.db2.gz IAGGJIDGSADPFZ-QJPTWQEYSA-N 2 2 273.340 0.925 20 0 CCADLP COCCN(C)c1ccc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cn1 ZINC000666948254 545135876 /nfs/dbraw/zinc/13/58/76/545135876.db2.gz ZJRAKNODLUBWOC-KBPBESRZSA-N 2 2 296.390 0.954 20 0 CCADLP C[N@@H+]1CCN(C(=O)Nc2cnn(C(C)(C)C)c2)[C@H](C[NH3+])C1 ZINC000667148629 545139623 /nfs/dbraw/zinc/13/96/23/545139623.db2.gz IALJYAGTXWSWHX-GFCCVEGCSA-N 2 2 294.403 0.745 20 0 CCADLP C[N@H+]1CCN(C(=O)Nc2cnn(C(C)(C)C)c2)[C@H](C[NH3+])C1 ZINC000667148629 545139624 /nfs/dbraw/zinc/13/96/24/545139624.db2.gz IALJYAGTXWSWHX-GFCCVEGCSA-N 2 2 294.403 0.745 20 0 CCADLP Cc1nccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1Cl ZINC000667347161 545144363 /nfs/dbraw/zinc/14/43/63/545144363.db2.gz ISIDOKTVGFCDSL-SNVBAGLBSA-N 2 2 297.790 0.572 20 0 CCADLP O=C1NC[C@@H]2C[N@H+](Cc3ccnn3-c3cc[nH+]cc3)CCN12 ZINC000667693621 545153989 /nfs/dbraw/zinc/15/39/89/545153989.db2.gz QNFJTHPIABUIAX-CQSZACIVSA-N 2 2 298.350 0.477 20 0 CCADLP O=C1NC[C@@H]2C[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)CCN12 ZINC000667693621 545153990 /nfs/dbraw/zinc/15/39/90/545153990.db2.gz QNFJTHPIABUIAX-CQSZACIVSA-N 2 2 298.350 0.477 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000163827372 527425659 /nfs/dbraw/zinc/42/56/59/527425659.db2.gz NRBUVAHYZTWLCU-GFCCVEGCSA-N 2 2 253.346 0.663 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000163827372 527425664 /nfs/dbraw/zinc/42/56/64/527425664.db2.gz NRBUVAHYZTWLCU-GFCCVEGCSA-N 2 2 253.346 0.663 20 0 CCADLP CCOC(=O)[C@@H]1C[N@H+](CCn2cc[nH+]c2)CC12COC2 ZINC000451143022 527884703 /nfs/dbraw/zinc/88/47/03/527884703.db2.gz WVVVZQYEAGKVJO-LBPRGKRZSA-N 2 2 279.340 0.395 20 0 CCADLP CCOC(=O)[C@@H]1C[N@@H+](CCn2cc[nH+]c2)CC12COC2 ZINC000451143022 527884710 /nfs/dbraw/zinc/88/47/10/527884710.db2.gz WVVVZQYEAGKVJO-LBPRGKRZSA-N 2 2 279.340 0.395 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)NC[C@@H](C)[NH3+])cn2c1 ZINC000669401260 545206882 /nfs/dbraw/zinc/20/68/82/545206882.db2.gz ZMMHNOONJSWWLV-SNVBAGLBSA-N 2 2 261.329 0.789 20 0 CCADLP CCNC(=O)N1CC[C@H]([NH2+][C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000358284116 528157274 /nfs/dbraw/zinc/15/72/74/528157274.db2.gz DWLLMROCIQVMRZ-SRVKXCTJSA-N 2 2 254.378 0.330 20 0 CCADLP CCNC(=O)N1CC[C@H]([NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000358284116 528157280 /nfs/dbraw/zinc/15/72/80/528157280.db2.gz DWLLMROCIQVMRZ-SRVKXCTJSA-N 2 2 254.378 0.330 20 0 CCADLP Cc1cccn2cc(CCNC(=O)N(C)CC[NH3+])[nH+]c12 ZINC000669511833 545211608 /nfs/dbraw/zinc/21/16/08/545211608.db2.gz ITRKDYGRHKCTST-UHFFFAOYSA-N 2 2 275.356 0.785 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1c[nH+]cn1C ZINC000358203113 528229147 /nfs/dbraw/zinc/22/91/47/528229147.db2.gz RUBQCFYUPZEKRV-LBPRGKRZSA-N 2 2 250.346 0.911 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)NCc1c[nH+]cn1C ZINC000358203113 528229151 /nfs/dbraw/zinc/22/91/51/528229151.db2.gz RUBQCFYUPZEKRV-LBPRGKRZSA-N 2 2 250.346 0.911 20 0 CCADLP CC(C)C[C@@H](C)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000669541275 545213944 /nfs/dbraw/zinc/21/39/44/545213944.db2.gz DTCKLIHRLVRLSQ-NEPJUHHUSA-N 2 2 256.394 0.705 20 0 CCADLP CC(C)C[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000669541275 545213945 /nfs/dbraw/zinc/21/39/45/545213945.db2.gz DTCKLIHRLVRLSQ-NEPJUHHUSA-N 2 2 256.394 0.705 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)NCC[NH2+]C1CC1 ZINC000669590757 545215810 /nfs/dbraw/zinc/21/58/10/545215810.db2.gz SLSNNFRVISZGIR-UHFFFAOYSA-N 2 2 264.329 0.641 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H]2F)[C@H](C[NH3+])C1 ZINC000669592641 545215912 /nfs/dbraw/zinc/21/59/12/545215912.db2.gz ZASLDXIQDFIPIP-OUAUKWLOSA-N 2 2 258.341 0.161 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H]2F)[C@H](C[NH3+])C1 ZINC000669592641 545215913 /nfs/dbraw/zinc/21/59/13/545215913.db2.gz ZASLDXIQDFIPIP-OUAUKWLOSA-N 2 2 258.341 0.161 20 0 CCADLP CC[NH2+]CCNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000418320216 528308248 /nfs/dbraw/zinc/30/82/48/528308248.db2.gz UEGLVJLEPNIFIE-ZDUSSCGKSA-N 2 2 284.404 0.102 20 0 CCADLP COc1cccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1F ZINC000669684410 545218892 /nfs/dbraw/zinc/21/88/92/545218892.db2.gz RNZXPYOTEJBJRK-CQSZACIVSA-N 2 2 268.332 0.991 20 0 CCADLP COc1cccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1F ZINC000669684410 545218893 /nfs/dbraw/zinc/21/88/93/545218893.db2.gz RNZXPYOTEJBJRK-CQSZACIVSA-N 2 2 268.332 0.991 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000423529306 528474826 /nfs/dbraw/zinc/47/48/26/528474826.db2.gz PNKRTGUATIFJTH-ZQDZILKHSA-N 2 2 295.427 0.683 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000423529306 528474829 /nfs/dbraw/zinc/47/48/29/528474829.db2.gz PNKRTGUATIFJTH-ZQDZILKHSA-N 2 2 295.427 0.683 20 0 CCADLP CCC[NH2+]CCNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000418464569 528482466 /nfs/dbraw/zinc/48/24/66/528482466.db2.gz FIALBBAIHDFHLX-UHFFFAOYSA-N 2 2 267.377 0.914 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000417931395 528525939 /nfs/dbraw/zinc/52/59/39/528525939.db2.gz VXJMUPBJOXVJSZ-OLZOCXBDSA-N 2 2 291.399 0.943 20 0 CCADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[NH2+]CCO2)[C@H](C)C1 ZINC000423527168 528669688 /nfs/dbraw/zinc/66/96/88/528669688.db2.gz RJUFDXTWPATGMJ-OAGGEKHMSA-N 3 2 299.459 0.701 20 0 CCADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2C[NH2+]CCO2)[C@H](C)C1 ZINC000423527168 528669692 /nfs/dbraw/zinc/66/96/92/528669692.db2.gz RJUFDXTWPATGMJ-OAGGEKHMSA-N 3 2 299.459 0.701 20 0 CCADLP CCOC(=O)C[NH2+]C(C)(C)CN1CC[NH+](CC)CC1 ZINC000449743759 528817070 /nfs/dbraw/zinc/81/70/70/528817070.db2.gz BAZMZBZUKGIIEJ-UHFFFAOYSA-N 2 2 271.405 0.555 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000672154578 545263918 /nfs/dbraw/zinc/26/39/18/545263918.db2.gz PMGASKNXXFUGBX-NSHDSACASA-N 2 2 273.340 0.680 20 0 CCADLP CCC[C@@H]([NH3+])C(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000423870082 528963439 /nfs/dbraw/zinc/96/34/39/528963439.db2.gz ONCLLROFHNLCRO-ZIAGYGMSSA-N 2 2 283.416 0.683 20 0 CCADLP CCC[C@@H]([NH3+])C(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000423870082 528963442 /nfs/dbraw/zinc/96/34/42/528963442.db2.gz ONCLLROFHNLCRO-ZIAGYGMSSA-N 2 2 283.416 0.683 20 0 CCADLP CC(C)[C@H](CNC(=O)C=Cc1c[nH]c[nH+]1)[NH+]1CCOCC1 ZINC000493673136 528996342 /nfs/dbraw/zinc/99/63/42/528996342.db2.gz KMAJWZUWYNXDQH-NQHOJNORSA-N 2 2 292.383 0.896 20 0 CCADLP CC(C)[C@H](CNC(=O)/C=C/c1[nH]cc[nH+]1)[NH+]1CCOCC1 ZINC000493077969 528996357 /nfs/dbraw/zinc/99/63/57/528996357.db2.gz ZLQUJSOXUNXZLV-OOPCZODUSA-N 2 2 292.383 0.896 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428032939 529136283 /nfs/dbraw/zinc/13/62/83/529136283.db2.gz AEKIKVHJUSIFBF-QJPTWQEYSA-N 2 2 282.388 0.293 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428032939 529136284 /nfs/dbraw/zinc/13/62/84/529136284.db2.gz AEKIKVHJUSIFBF-QJPTWQEYSA-N 2 2 282.388 0.293 20 0 CCADLP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cnn(C)c1 ZINC000358265253 529177494 /nfs/dbraw/zinc/17/74/94/529177494.db2.gz ZJUZPICVVJKZOJ-OLZOCXBDSA-N 2 2 252.362 0.527 20 0 CCADLP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cnn(C)c1 ZINC000358265253 529177496 /nfs/dbraw/zinc/17/74/96/529177496.db2.gz ZJUZPICVVJKZOJ-OLZOCXBDSA-N 2 2 252.362 0.527 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)CCO1 ZINC000427718264 529294089 /nfs/dbraw/zinc/29/40/89/529294089.db2.gz LNSFSKJVCQVTIV-KBPBESRZSA-N 2 2 285.432 0.800 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)CCO1 ZINC000427718264 529294091 /nfs/dbraw/zinc/29/40/91/529294091.db2.gz LNSFSKJVCQVTIV-KBPBESRZSA-N 2 2 285.432 0.800 20 0 CCADLP CN(C)c1cc(NC(=O)CN2CC[NH+](C)CC2)cc[nH+]1 ZINC000673961157 545297620 /nfs/dbraw/zinc/29/76/20/545297620.db2.gz NVEWYIGYRXYEHX-UHFFFAOYSA-N 2 2 277.372 0.334 20 0 CCADLP CC[C@H](C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1)OC ZINC000412978635 529335514 /nfs/dbraw/zinc/33/55/14/529335514.db2.gz QOFAMUKCUSSXLF-GFCCVEGCSA-N 2 2 252.362 0.952 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCC[NH+]1CCOCC1 ZINC000357047592 535013016 /nfs/dbraw/zinc/01/30/16/535013016.db2.gz JYMSBQXXJLPOPC-CYBMUJFWSA-N 2 2 286.420 0.347 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCC[NH+]1CCOCC1 ZINC000357047592 535013020 /nfs/dbraw/zinc/01/30/20/535013020.db2.gz JYMSBQXXJLPOPC-CYBMUJFWSA-N 2 2 286.420 0.347 20 0 CCADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250563738 535055109 /nfs/dbraw/zinc/05/51/09/535055109.db2.gz XIPXEQUNGXVHHV-STQMWFEESA-N 2 2 298.431 0.030 20 0 CCADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000250563738 535055110 /nfs/dbraw/zinc/05/51/10/535055110.db2.gz XIPXEQUNGXVHHV-STQMWFEESA-N 2 2 298.431 0.030 20 0 CCADLP OC1(C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)CCC1 ZINC000675069660 545320808 /nfs/dbraw/zinc/32/08/08/545320808.db2.gz WIBDWUIXKVRFOX-UHFFFAOYSA-N 2 2 250.346 0.442 20 0 CCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)NCC[NH+]1CCOCC1 ZINC000675153662 545322852 /nfs/dbraw/zinc/32/28/52/545322852.db2.gz UGZLMUCKMZHNSR-AWEZNQCLSA-N 2 2 298.431 0.492 20 0 CCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cncs1 ZINC000675781955 545331318 /nfs/dbraw/zinc/33/13/18/545331318.db2.gz IIZVIRSTKLXQTH-SNVBAGLBSA-N 2 2 268.386 0.568 20 0 CCADLP CC[NH+]1CCC([N@H+](C)CC(=O)NC[C@@H]2CCCO2)CC1 ZINC000362189036 535456868 /nfs/dbraw/zinc/45/68/68/535456868.db2.gz UZQRIXXFPVEAFM-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+]1CCC([N@@H+](C)CC(=O)NC[C@@H]2CCCO2)CC1 ZINC000362189036 535456872 /nfs/dbraw/zinc/45/68/72/535456872.db2.gz UZQRIXXFPVEAFM-AWEZNQCLSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@@H](NC(=O)CCCn1cc[nH+]c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676291160 545340027 /nfs/dbraw/zinc/34/00/27/545340027.db2.gz ZUKXUBAIGMILED-OLZOCXBDSA-N 2 2 280.372 0.499 20 0 CCADLP C[C@@H](NC(=O)CCCn1cc[nH+]c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676291160 545340028 /nfs/dbraw/zinc/34/00/28/545340028.db2.gz ZUKXUBAIGMILED-OLZOCXBDSA-N 2 2 280.372 0.499 20 0 CCADLP C[C@H](NC(=O)CCCn1cc[nH+]c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676291162 545340112 /nfs/dbraw/zinc/34/01/12/545340112.db2.gz ZUKXUBAIGMILED-STQMWFEESA-N 2 2 280.372 0.499 20 0 CCADLP C[C@H](NC(=O)CCCn1cc[nH+]c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676291162 545340113 /nfs/dbraw/zinc/34/01/13/545340113.db2.gz ZUKXUBAIGMILED-STQMWFEESA-N 2 2 280.372 0.499 20 0 CCADLP C[NH+](C)[C@@H]1CCCN(c2nc(N3CCOCC3)cc[nH+]2)C1 ZINC000676309654 545340979 /nfs/dbraw/zinc/34/09/79/545340979.db2.gz GLZVWXMILBUZCJ-CYBMUJFWSA-N 2 2 291.399 0.844 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676340388 545341939 /nfs/dbraw/zinc/34/19/39/545341939.db2.gz DDWQAYLBGQFTCU-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676340388 545341940 /nfs/dbraw/zinc/34/19/40/545341940.db2.gz DDWQAYLBGQFTCU-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP O=C(NCC[NH+]1CCC1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000677115280 545357846 /nfs/dbraw/zinc/35/78/46/545357846.db2.gz YNCIRPQOTOKOAU-ZDUSSCGKSA-N 2 2 289.383 0.665 20 0 CCADLP CC[N@H+]1C[C@H](NC2CC[NH+](CC(=O)N(C)C)CC2)[C@@H](C)C1 ZINC000347160907 535783517 /nfs/dbraw/zinc/78/35/17/535783517.db2.gz WCGQKJWMWITYEZ-ZFWWWQNUSA-N 2 2 296.459 0.469 20 0 CCADLP CC[N@@H+]1C[C@H](NC2CC[NH+](CC(=O)N(C)C)CC2)[C@@H](C)C1 ZINC000347160907 535783519 /nfs/dbraw/zinc/78/35/19/535783519.db2.gz WCGQKJWMWITYEZ-ZFWWWQNUSA-N 2 2 296.459 0.469 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@@H]1C ZINC000677194115 545360544 /nfs/dbraw/zinc/36/05/44/545360544.db2.gz QKDHWFUYPGCFKM-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@@H]1C ZINC000677194115 545360545 /nfs/dbraw/zinc/36/05/45/545360545.db2.gz QKDHWFUYPGCFKM-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP CCc1cc(N)nc(SCC(=O)NCCC[NH+](C)C)[nH+]1 ZINC000515981070 536087279 /nfs/dbraw/zinc/08/72/79/536087279.db2.gz IZJJZGSULDZFLW-UHFFFAOYSA-N 2 2 297.428 0.612 20 0 CCADLP CN(C)C(=O)C[NH+]1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000678073847 545383533 /nfs/dbraw/zinc/38/35/33/545383533.db2.gz JUBDFARNUYUQLP-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP CN(C)C(=O)C[NH+]1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000678073847 545383534 /nfs/dbraw/zinc/38/35/34/545383534.db2.gz JUBDFARNUYUQLP-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678221336 545386743 /nfs/dbraw/zinc/38/67/43/545386743.db2.gz WMUCIQKDTHLKMX-ZDUSSCGKSA-N 2 2 291.395 0.947 20 0 CCADLP C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678221336 545386744 /nfs/dbraw/zinc/38/67/44/545386744.db2.gz WMUCIQKDTHLKMX-ZDUSSCGKSA-N 2 2 291.395 0.947 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000678517517 545393651 /nfs/dbraw/zinc/39/36/51/545393651.db2.gz ORCMIXSSRKHXIY-CQSZACIVSA-N 3 2 291.399 0.294 20 0 CCADLP Cc1[nH+]ccn1CCN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000678631217 545395678 /nfs/dbraw/zinc/39/56/78/545395678.db2.gz ZVTLBWTYVBNORX-AWEZNQCLSA-N 2 2 264.373 0.598 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000678631217 545395679 /nfs/dbraw/zinc/39/56/79/545395679.db2.gz ZVTLBWTYVBNORX-AWEZNQCLSA-N 2 2 264.373 0.598 20 0 CCADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)[C@H]1COC[C@@H]1O ZINC000361394450 536342989 /nfs/dbraw/zinc/34/29/89/536342989.db2.gz FOEKPUQRPLCXGP-KBPBESRZSA-N 2 2 268.357 0.793 20 0 CCADLP C[NH+](CCC[N@H+](C)Cc1ccco1)[C@H]1COC[C@@H]1O ZINC000361394450 536342991 /nfs/dbraw/zinc/34/29/91/536342991.db2.gz FOEKPUQRPLCXGP-KBPBESRZSA-N 2 2 268.357 0.793 20 0 CCADLP C[NH+](CCC[N@H+](C)[C@H]1COC[C@@H]1O)Cc1ccco1 ZINC000361394450 536342994 /nfs/dbraw/zinc/34/29/94/536342994.db2.gz FOEKPUQRPLCXGP-KBPBESRZSA-N 2 2 268.357 0.793 20 0 CCADLP C[NH+](CCC[N@@H+](C)[C@H]1COC[C@@H]1O)Cc1ccco1 ZINC000361394450 536342995 /nfs/dbraw/zinc/34/29/95/536342995.db2.gz FOEKPUQRPLCXGP-KBPBESRZSA-N 2 2 268.357 0.793 20 0 CCADLP C[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C[C@@H]1F ZINC000679184425 545403367 /nfs/dbraw/zinc/40/33/67/545403367.db2.gz WZRTWRRHSQUPDI-AGIUHOORSA-N 2 2 299.390 0.746 20 0 CCADLP C[C@@H]1CC[N@H+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)C[C@@H]1F ZINC000679184425 545403368 /nfs/dbraw/zinc/40/33/68/545403368.db2.gz WZRTWRRHSQUPDI-AGIUHOORSA-N 2 2 299.390 0.746 20 0 CCADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cnccn1 ZINC000679419008 545409210 /nfs/dbraw/zinc/40/92/10/545409210.db2.gz IADAJDQUBZLXOZ-UHFFFAOYSA-N 2 2 263.389 0.546 20 0 CCADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cnccn1 ZINC000679419008 545409211 /nfs/dbraw/zinc/40/92/11/545409211.db2.gz IADAJDQUBZLXOZ-UHFFFAOYSA-N 2 2 263.389 0.546 20 0 CCADLP c1cnc(N2CC[NH+](CCC[NH2+]C3CSC3)CC2)nc1 ZINC000679625606 545412461 /nfs/dbraw/zinc/41/24/61/545412461.db2.gz XSNKEWARALUVRA-UHFFFAOYSA-N 2 2 293.440 0.694 20 0 CCADLP CN(C)C(=O)C[NH+]1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000679652877 545413832 /nfs/dbraw/zinc/41/38/32/545413832.db2.gz RAJVONNPMYRFTQ-OAHLLOKOSA-N 2 2 296.459 0.567 20 0 CCADLP CN(C)C(=O)C[NH+]1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000679652877 545413833 /nfs/dbraw/zinc/41/38/33/545413833.db2.gz RAJVONNPMYRFTQ-OAHLLOKOSA-N 2 2 296.459 0.567 20 0 CCADLP COC1CC([NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)C1 ZINC000344871950 536721468 /nfs/dbraw/zinc/72/14/68/536721468.db2.gz KTYAXWDZRAEFJN-BXTUAPDASA-N 2 2 278.356 0.507 20 0 CCADLP C[NH+](C)C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000681551103 545455739 /nfs/dbraw/zinc/45/57/39/545455739.db2.gz VWAVMTJSOUCSDC-GFCCVEGCSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@H](NC(=O)CCc1c[nH+]c[nH]1)[C@H]1C[N@H+](C)CCO1 ZINC000684464095 545677074 /nfs/dbraw/zinc/67/70/74/545677074.db2.gz PBDLVBNDTIURLE-CMPLNLGQSA-N 2 2 266.345 0.178 20 0 CCADLP C[C@H](NC(=O)CCc1c[nH+]c[nH]1)[C@H]1C[N@@H+](C)CCO1 ZINC000684464095 545677080 /nfs/dbraw/zinc/67/70/80/545677080.db2.gz PBDLVBNDTIURLE-CMPLNLGQSA-N 2 2 266.345 0.178 20 0 CCADLP C[C@H](NC(=O)CCc1c[nH]c[nH+]1)[C@H]1C[N@H+](C)CCO1 ZINC000684464095 545677085 /nfs/dbraw/zinc/67/70/85/545677085.db2.gz PBDLVBNDTIURLE-CMPLNLGQSA-N 2 2 266.345 0.178 20 0 CCADLP C[C@H](NC(=O)CCc1c[nH]c[nH+]1)[C@H]1C[N@@H+](C)CCO1 ZINC000684464095 545677090 /nfs/dbraw/zinc/67/70/90/545677090.db2.gz PBDLVBNDTIURLE-CMPLNLGQSA-N 2 2 266.345 0.178 20 0 CCADLP CC(C)[NH+]1CCC(N2CC[NH+](CC3OCCO3)CC2)CC1 ZINC000777622868 581124451 /nfs/dbraw/zinc/12/44/51/581124451.db2.gz MPVKCVRVLUGGTN-UHFFFAOYSA-N 2 2 297.443 0.850 20 0 CCADLP O[C@@H](C[NH2+]Cc1ccc(F)nc1)C[NH+]1CCCC1 ZINC000778160355 581143787 /nfs/dbraw/zinc/14/37/87/581143787.db2.gz UFXYSPPEISGCIJ-LBPRGKRZSA-N 2 2 253.321 0.767 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)CC[NH+]1CCOCC1 ZINC000725895233 581176056 /nfs/dbraw/zinc/17/60/56/581176056.db2.gz AYNULLBZBUTVPN-UHFFFAOYSA-N 2 2 266.345 0.030 20 0 CCADLP CC(=O)N(C)C1CC[NH+](C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000726070363 581229095 /nfs/dbraw/zinc/22/90/95/581229095.db2.gz GUQQZJVGAQBPJF-HNNXBMFYSA-N 2 2 283.416 0.386 20 0 CCADLP CC[NH+]1CCN(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000726254877 581233634 /nfs/dbraw/zinc/23/36/34/581233634.db2.gz IHGWUOFWMWGILA-ZDUSSCGKSA-N 2 2 284.404 0.054 20 0 CCADLP CC[NH+]1CCN(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000726254877 581233635 /nfs/dbraw/zinc/23/36/35/581233635.db2.gz IHGWUOFWMWGILA-ZDUSSCGKSA-N 2 2 284.404 0.054 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)N2CCC[C@@H]([NH+](C)C)C2)CCO1 ZINC000729607152 581606362 /nfs/dbraw/zinc/60/63/62/581606362.db2.gz XNOOXVNHBYXHIB-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(-n2cncn2)nc1 ZINC000756093924 581657188 /nfs/dbraw/zinc/65/71/88/581657188.db2.gz HAPUFBUUCMKESW-WCQYABFASA-N 2 2 272.356 0.702 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(-n2cncn2)nc1 ZINC000756093924 581657190 /nfs/dbraw/zinc/65/71/90/581657190.db2.gz HAPUFBUUCMKESW-WCQYABFASA-N 2 2 272.356 0.702 20 0 CCADLP OCC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccco1 ZINC000769219225 581677640 /nfs/dbraw/zinc/67/76/40/581677640.db2.gz ALLYOYZONISSIB-QWHCGFSZSA-N 2 2 268.357 0.749 20 0 CCADLP C[C@@H]1CC[N@H+](CCN2C(=O)CCC2=O)[C@H](C[NH3+])C1 ZINC000261550517 581702298 /nfs/dbraw/zinc/70/22/98/581702298.db2.gz OKCMZUYKIOLBGD-MNOVXSKESA-N 2 2 253.346 0.195 20 0 CCADLP C[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)[C@H](C[NH3+])C1 ZINC000261550517 581702300 /nfs/dbraw/zinc/70/23/00/581702300.db2.gz OKCMZUYKIOLBGD-MNOVXSKESA-N 2 2 253.346 0.195 20 0 CCADLP Cc1nc(N2CC[NH+](C[C@H](O)C3CC3)CC2)cc[nH+]1 ZINC000742408083 581781415 /nfs/dbraw/zinc/78/14/15/581781415.db2.gz UWMSWJOLSYPDRY-ZDUSSCGKSA-N 2 2 262.357 0.678 20 0 CCADLP CN1CC[N@H+](C)[C@@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC000732150061 581805842 /nfs/dbraw/zinc/80/58/42/581805842.db2.gz VSMIVPDCBDEOCU-HNNXBMFYSA-N 2 2 296.459 0.615 20 0 CCADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC000732150061 581805843 /nfs/dbraw/zinc/80/58/43/581805843.db2.gz VSMIVPDCBDEOCU-HNNXBMFYSA-N 2 2 296.459 0.615 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=S)NCC[NH+]1CCOCC1 ZINC000743580293 581817276 /nfs/dbraw/zinc/81/72/76/581817276.db2.gz PQRQUVGTTDDVQE-GFCCVEGCSA-N 2 2 288.461 0.123 20 0 CCADLP C[C@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)CCO1 ZINC000759968804 581833725 /nfs/dbraw/zinc/83/37/25/581833725.db2.gz ZATPNHWZJQAXRG-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@H]1CN(C(=O)C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)CCO1 ZINC000759968804 581833729 /nfs/dbraw/zinc/83/37/29/581833729.db2.gz ZATPNHWZJQAXRG-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000744611333 581846088 /nfs/dbraw/zinc/84/60/88/581846088.db2.gz YRKFEVDVDIHYSQ-LBPRGKRZSA-N 2 2 298.456 0.964 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000744611333 581846090 /nfs/dbraw/zinc/84/60/90/581846090.db2.gz YRKFEVDVDIHYSQ-LBPRGKRZSA-N 2 2 298.456 0.964 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+](C)C[C@H]2CCCO2)C1 ZINC000760542139 581863928 /nfs/dbraw/zinc/86/39/28/581863928.db2.gz ZNTUHVXOMHRLMV-CHWSQXEVSA-N 2 2 292.383 0.804 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+](C)C[C@H]2CCCO2)C1 ZINC000760542139 581863931 /nfs/dbraw/zinc/86/39/31/581863931.db2.gz ZNTUHVXOMHRLMV-CHWSQXEVSA-N 2 2 292.383 0.804 20 0 CCADLP C[NH+](C)C1(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CCC1 ZINC000772811806 581892647 /nfs/dbraw/zinc/89/26/47/581892647.db2.gz IDNGUCFVWGOLMQ-JTQLQIEISA-N 2 2 262.357 0.868 20 0 CCADLP C[NH+](C)C1(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CCC1 ZINC000772811806 581892648 /nfs/dbraw/zinc/89/26/48/581892648.db2.gz IDNGUCFVWGOLMQ-JTQLQIEISA-N 2 2 262.357 0.868 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000746175734 581897642 /nfs/dbraw/zinc/89/76/42/581897642.db2.gz VRUKARAFAGQLRG-UHFFFAOYSA-N 2 2 282.307 0.780 20 0 CCADLP C[C@@H]1C(=O)N([C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C(=O)N1C ZINC000761302978 581904576 /nfs/dbraw/zinc/90/45/76/581904576.db2.gz MGALOPRUWHGBIP-DGCLKSJQSA-N 2 2 294.399 0.437 20 0 CCADLP C[C@@H]1C(=O)N([C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C(=O)N1C ZINC000761302978 581904579 /nfs/dbraw/zinc/90/45/79/581904579.db2.gz MGALOPRUWHGBIP-DGCLKSJQSA-N 2 2 294.399 0.437 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NCCn2cc[nH+]c2C(C)C)C1 ZINC000746254380 581905103 /nfs/dbraw/zinc/90/51/03/581905103.db2.gz TWERRRIWXINKLU-ZDUSSCGKSA-N 2 2 294.399 0.843 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NCCn2cc[nH+]c2C(C)C)C1 ZINC000746254380 581905107 /nfs/dbraw/zinc/90/51/07/581905107.db2.gz TWERRRIWXINKLU-ZDUSSCGKSA-N 2 2 294.399 0.843 20 0 CCADLP COC(=O)c1cn(C[N@H+](C)CCCn2cc[nH+]c2C)nn1 ZINC000746632052 581921072 /nfs/dbraw/zinc/92/10/72/581921072.db2.gz QBQOSUHRFRLRHZ-UHFFFAOYSA-N 2 2 292.343 0.549 20 0 CCADLP COC(=O)c1cn(C[N@@H+](C)CCCn2cc[nH+]c2C)nn1 ZINC000746632052 581921076 /nfs/dbraw/zinc/92/10/76/581921076.db2.gz QBQOSUHRFRLRHZ-UHFFFAOYSA-N 2 2 292.343 0.549 20 0 CCADLP CCCCCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000747113683 581932554 /nfs/dbraw/zinc/93/25/54/581932554.db2.gz ZICQYXBSDQGFSR-OAHLLOKOSA-N 2 2 296.459 0.615 20 0 CCADLP CCCCCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000747113683 581932555 /nfs/dbraw/zinc/93/25/55/581932555.db2.gz ZICQYXBSDQGFSR-OAHLLOKOSA-N 2 2 296.459 0.615 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C2CCN(C=O)CC2)C[N@@H+]1C1CC1 ZINC000774220704 581965878 /nfs/dbraw/zinc/96/58/78/581965878.db2.gz ZNSGRGZEKBALHI-DGCLKSJQSA-N 2 2 251.374 0.822 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C2CCN(C=O)CC2)C[N@H+]1C1CC1 ZINC000774220704 581965879 /nfs/dbraw/zinc/96/58/79/581965879.db2.gz ZNSGRGZEKBALHI-DGCLKSJQSA-N 2 2 251.374 0.822 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)OC(=O)[C@H]1CCCC[N@@H+]1C ZINC000774278924 581968062 /nfs/dbraw/zinc/96/80/62/581968062.db2.gz CPHPCUPVUWAEKG-QWHCGFSZSA-N 2 2 270.373 0.735 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)OC(=O)[C@H]1CCCC[N@H+]1C ZINC000774278924 581968064 /nfs/dbraw/zinc/96/80/64/581968064.db2.gz CPHPCUPVUWAEKG-QWHCGFSZSA-N 2 2 270.373 0.735 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)C1([NH+](C)C)CCC1 ZINC000762980352 581975195 /nfs/dbraw/zinc/97/51/95/581975195.db2.gz OBHJMIGHGCAZBH-UHFFFAOYSA-N 2 2 269.389 0.261 20 0 CCADLP CCOC(=O)N1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000748437835 581975619 /nfs/dbraw/zinc/97/56/19/581975619.db2.gz ZTPMEDFGNLGDCC-CQSZACIVSA-N 2 2 299.415 0.607 20 0 CCADLP CCOC(=O)N1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000748437835 581975621 /nfs/dbraw/zinc/97/56/21/581975621.db2.gz ZTPMEDFGNLGDCC-CQSZACIVSA-N 2 2 299.415 0.607 20 0 CCADLP CON(C)C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000774641917 581986031 /nfs/dbraw/zinc/98/60/31/581986031.db2.gz INQCOKKNLKLDRN-ZDUSSCGKSA-N 2 2 269.389 0.670 20 0 CCADLP CON(C)C(=O)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000774641917 581986033 /nfs/dbraw/zinc/98/60/33/581986033.db2.gz INQCOKKNLKLDRN-ZDUSSCGKSA-N 2 2 269.389 0.670 20 0 CCADLP CON(C)C(=O)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000774641917 581986034 /nfs/dbraw/zinc/98/60/34/581986034.db2.gz INQCOKKNLKLDRN-ZDUSSCGKSA-N 2 2 269.389 0.670 20 0 CCADLP CON(C)C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000774641917 581986036 /nfs/dbraw/zinc/98/60/36/581986036.db2.gz INQCOKKNLKLDRN-ZDUSSCGKSA-N 2 2 269.389 0.670 20 0 CCADLP Cc1cc(N2CCN(C3=[NH+]C[C@H](C)S3)CC2)nc(N)[nH+]1 ZINC000749280290 582002706 /nfs/dbraw/zinc/00/27/06/582002706.db2.gz ACNRODFCBGMADL-JTQLQIEISA-N 2 2 292.412 0.981 20 0 CCADLP CCOC(=O)[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000932637438 615292285 /nfs/dbraw/zinc/29/22/85/615292285.db2.gz ARNSOWLFNWAWLU-NEPJUHHUSA-N 2 2 258.362 0.184 20 0 CCADLP CCOC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000932637438 615292286 /nfs/dbraw/zinc/29/22/86/615292286.db2.gz ARNSOWLFNWAWLU-NEPJUHHUSA-N 2 2 258.362 0.184 20 0 CCADLP CCOC(=O)[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)CC)C1 ZINC000932637438 615292289 /nfs/dbraw/zinc/29/22/89/615292289.db2.gz ARNSOWLFNWAWLU-NEPJUHHUSA-N 2 2 258.362 0.184 20 0 CCADLP CCOC(=O)[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000932637438 615292292 /nfs/dbraw/zinc/29/22/92/615292292.db2.gz ARNSOWLFNWAWLU-NEPJUHHUSA-N 2 2 258.362 0.184 20 0 CCADLP CCO[C@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1)C[NH+](C)C ZINC000925836506 615484590 /nfs/dbraw/zinc/48/45/90/615484590.db2.gz BAOTUSLUWURDNB-HZSPNIEDSA-N 3 2 257.422 0.931 20 0 CCADLP C[N@H+](CC(=O)NC[C@H]1CC[NH+]1C)[C@@H]1CCSC1 ZINC000928559215 616287984 /nfs/dbraw/zinc/28/79/84/616287984.db2.gz JWIXHWVBUOABQX-GHMZBOCLSA-N 2 2 257.403 0.244 20 0 CCADLP C[N@@H+](CC(=O)NC[C@H]1CC[NH+]1C)[C@@H]1CCSC1 ZINC000928559215 616287985 /nfs/dbraw/zinc/28/79/85/616287985.db2.gz JWIXHWVBUOABQX-GHMZBOCLSA-N 2 2 257.403 0.244 20 0 CCADLP C[NH+](CC(=O)NC[C@H]1CC[N@@H+]1C)[C@@H]1CCSC1 ZINC000928559215 616287987 /nfs/dbraw/zinc/28/79/87/616287987.db2.gz JWIXHWVBUOABQX-GHMZBOCLSA-N 2 2 257.403 0.244 20 0 CCADLP C[NH+](CC(=O)NC[C@H]1CC[N@H+]1C)[C@@H]1CCSC1 ZINC000928559215 616287988 /nfs/dbraw/zinc/28/79/88/616287988.db2.gz JWIXHWVBUOABQX-GHMZBOCLSA-N 2 2 257.403 0.244 20 0 CCADLP CS(=O)(=O)NCC[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872655 617173939 /nfs/dbraw/zinc/17/39/39/617173939.db2.gz XWDPSTCYYXQPGF-GFCCVEGCSA-N 2 2 275.418 0.001 20 0 CCADLP CS(=O)(=O)NCC[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872655 617173941 /nfs/dbraw/zinc/17/39/41/617173941.db2.gz XWDPSTCYYXQPGF-GFCCVEGCSA-N 2 2 275.418 0.001 20 0 CCADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccccc1 ZINC000925696093 617177342 /nfs/dbraw/zinc/17/73/42/617177342.db2.gz ZIHWAPFRARZKHW-UKRRQHHQSA-N 3 2 262.401 0.570 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCc2ccccn2)C1 ZINC000844222313 617178675 /nfs/dbraw/zinc/17/86/75/617178675.db2.gz ADMNHHZJFRXQEA-NEPJUHHUSA-N 2 2 262.357 0.367 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCc2ccccn2)C1 ZINC000844222313 617178677 /nfs/dbraw/zinc/17/86/77/617178677.db2.gz ADMNHHZJFRXQEA-NEPJUHHUSA-N 2 2 262.357 0.367 20 0 CCADLP CC(C)CN(CC1CC[NH+](C)CC1)c1nc(N)nc(N)[nH+]1 ZINC000866260663 614078922 /nfs/dbraw/zinc/07/89/22/614078922.db2.gz ILTOQZNJRWUDPS-UHFFFAOYSA-N 2 2 293.419 0.840 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(c2nnnn2C)CC1 ZINC000873226594 614193505 /nfs/dbraw/zinc/19/35/05/614193505.db2.gz WIKZJDLBYIZILB-GFCCVEGCSA-N 2 2 266.393 0.763 20 0 CCADLP COc1ccc(OC)c2c1C[N@H+](CCOCC[NH3+])C[C@H]2O ZINC000843357682 617276154 /nfs/dbraw/zinc/27/61/54/617276154.db2.gz NCUSPBGHPIEBQT-GFCCVEGCSA-N 2 2 296.367 0.528 20 0 CCADLP COc1ccc(OC)c2c1C[N@@H+](CCOCC[NH3+])C[C@H]2O ZINC000843357682 617276155 /nfs/dbraw/zinc/27/61/55/617276155.db2.gz NCUSPBGHPIEBQT-GFCCVEGCSA-N 2 2 296.367 0.528 20 0 CCADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000876965408 613190688 /nfs/dbraw/zinc/19/06/88/613190688.db2.gz CXHVYPYMHQVLQB-FKPKYRGISA-N 2 2 293.411 0.331 20 0 CCADLP C/C=C/[C@H](O)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000913664720 613201512 /nfs/dbraw/zinc/20/15/12/613201512.db2.gz OOOREMOJSDERQD-OOPCZODUSA-N 2 2 290.367 0.709 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC[C@@H]([NH2+][C@@H]2CCCOC2)C1 ZINC000883369919 613228627 /nfs/dbraw/zinc/22/86/27/613228627.db2.gz CLOQNJJAJIDNRJ-HZPDHXFCSA-N 2 2 297.443 0.552 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC[C@H]([NH2+][C@H]2CCCOC2)C1 ZINC000883369918 613228730 /nfs/dbraw/zinc/22/87/30/613228730.db2.gz CLOQNJJAJIDNRJ-HOTGVXAUSA-N 2 2 297.443 0.552 20 0 CCADLP C(C[C@@H]1CCC2(CCOCC2)CO1)[NH2+][C@@H]1C[NH2+]CCOC1 ZINC000925774160 613229004 /nfs/dbraw/zinc/22/90/04/613229004.db2.gz SFVQUISEEFWOMU-CABCVRRESA-N 2 2 298.427 0.930 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC[C@@H]([NH2+]CC2CC2)C1 ZINC000883371881 613231255 /nfs/dbraw/zinc/23/12/55/613231255.db2.gz CUFYISBQAMJSNR-OAHLLOKOSA-N 2 2 267.417 0.783 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC[C@@H]([NH2+][C@@H]2CCSC2)C1 ZINC000883369008 613231308 /nfs/dbraw/zinc/23/13/08/613231308.db2.gz HJISQCVVVUPNLM-HUUCEWRRSA-N 2 2 299.484 0.878 20 0 CCADLP C/C(=C/C(=O)NC[C@@H](C)[NH+](C)C)C[NH+]1CCOCC1 ZINC000900162852 613236807 /nfs/dbraw/zinc/23/68/07/613236807.db2.gz JQCLLZUKWYHABH-KIWPFMIBSA-N 2 2 269.389 0.331 20 0 CCADLP C/C(=C/C(=O)NC[C@@H]1CCC[N@H+]1C)C[NH+]1CCOCC1 ZINC000900695536 613237297 /nfs/dbraw/zinc/23/72/97/613237297.db2.gz QNQVFVIKSVDRGP-ZVHGMHCTSA-N 2 2 281.400 0.475 20 0 CCADLP C/C(=C/C(=O)NC[C@@H]1CCC[N@@H+]1C)C[NH+]1CCOCC1 ZINC000900695536 613237298 /nfs/dbraw/zinc/23/72/98/613237298.db2.gz QNQVFVIKSVDRGP-ZVHGMHCTSA-N 2 2 281.400 0.475 20 0 CCADLP C/C(=C\C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)C[NH+]1CCOCC1 ZINC000928426457 613258428 /nfs/dbraw/zinc/25/84/28/613258428.db2.gz GBFYBAKEUOTVSL-XMNZZIDVSA-N 2 2 281.400 0.474 20 0 CCADLP C/C(=C\C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH+]1CCOCC1 ZINC000928426457 613258430 /nfs/dbraw/zinc/25/84/30/613258430.db2.gz GBFYBAKEUOTVSL-XMNZZIDVSA-N 2 2 281.400 0.474 20 0 CCADLP C/C(=C\C(=O)N[C@H](C[NH+](C)C)C(C)C)C[NH+]1CCOCC1 ZINC000900692900 613259085 /nfs/dbraw/zinc/25/90/85/613259085.db2.gz LEQPFOQFCAGHLP-YVGNARHYSA-N 2 2 297.443 0.967 20 0 CCADLP CC(C)[NH2+]CC1CC(NC(=O)Cn2cc[nH+]c2)C1 ZINC000962891449 613946002 /nfs/dbraw/zinc/94/60/02/613946002.db2.gz DBFCRWFEWKOYQH-UHFFFAOYSA-N 2 2 250.346 0.776 20 0 CCADLP CC(C)[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000968534693 613969263 /nfs/dbraw/zinc/96/92/63/613969263.db2.gz KLLTVMSOHDJPJB-LLVKDONJSA-N 2 2 250.346 0.941 20 0 CCADLP CC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000917009793 613984910 /nfs/dbraw/zinc/98/49/10/613984910.db2.gz LIQBUPXRORPFII-KGLIPLIRSA-N 2 2 269.389 0.044 20 0 CCADLP CC(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000917009793 613984911 /nfs/dbraw/zinc/98/49/11/613984911.db2.gz LIQBUPXRORPFII-KGLIPLIRSA-N 2 2 269.389 0.044 20 0 CCADLP CC(C)OC[C@@H](C)[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000800239738 614026377 /nfs/dbraw/zinc/02/63/77/614026377.db2.gz UNPCHUDYADKQOE-CVEARBPZSA-N 2 2 299.459 0.796 20 0 CCADLP CC(C)[C@@H](C(=O)NC[C@@H]1CC[NH+]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000928565142 614075918 /nfs/dbraw/zinc/07/59/18/614075918.db2.gz KAPAOHRRYIALAI-XGUBFFRZSA-N 2 2 297.443 0.941 20 0 CCADLP CC(C)[C@@H](C(=O)NC[C@@H]1CC[NH+]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000928565142 614075923 /nfs/dbraw/zinc/07/59/23/614075923.db2.gz KAPAOHRRYIALAI-XGUBFFRZSA-N 2 2 297.443 0.941 20 0 CCADLP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000928565142 614075927 /nfs/dbraw/zinc/07/59/27/614075927.db2.gz KAPAOHRRYIALAI-XGUBFFRZSA-N 2 2 297.443 0.941 20 0 CCADLP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000928565142 614075929 /nfs/dbraw/zinc/07/59/29/614075929.db2.gz KAPAOHRRYIALAI-XGUBFFRZSA-N 2 2 297.443 0.941 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@H](O)C2CC2)C1 ZINC000840748920 614100076 /nfs/dbraw/zinc/10/00/76/614100076.db2.gz MEDAOEKMLTWIIW-KGLIPLIRSA-N 2 2 256.390 0.704 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@H](O)C2CC2)C1 ZINC000840748920 614100079 /nfs/dbraw/zinc/10/00/79/614100079.db2.gz MEDAOEKMLTWIIW-KGLIPLIRSA-N 2 2 256.390 0.704 20 0 CCADLP CC(C)([NH3+])C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000843119905 614161052 /nfs/dbraw/zinc/16/10/52/614161052.db2.gz MMQRFCVXVGGGCT-LLVKDONJSA-N 2 2 252.362 0.892 20 0 CCADLP CC(C)(O)C[N@@H+]1CC[C@H](Nc2nccn3c[nH+]cc23)C1 ZINC000894865877 614192421 /nfs/dbraw/zinc/19/24/21/614192421.db2.gz OXFPOAVBZPYWSN-NSHDSACASA-N 2 2 275.356 0.986 20 0 CCADLP CC(C)(O)C[N@H+]1CC[C@H](Nc2nccn3c[nH+]cc23)C1 ZINC000894865877 614192424 /nfs/dbraw/zinc/19/24/24/614192424.db2.gz OXFPOAVBZPYWSN-NSHDSACASA-N 2 2 275.356 0.986 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000868809191 614382970 /nfs/dbraw/zinc/38/29/70/614382970.db2.gz GXJKLNZUBXWJCU-JQWIXIFHSA-N 2 2 266.345 0.384 20 0 CCADLP CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000868809191 614382971 /nfs/dbraw/zinc/38/29/71/614382971.db2.gz GXJKLNZUBXWJCU-JQWIXIFHSA-N 2 2 266.345 0.384 20 0 CCADLP CC1CC[NH+](CCNC(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000864877382 614437108 /nfs/dbraw/zinc/43/71/08/614437108.db2.gz OQATVMJTLHNOCF-NSCUHMNNSA-N 2 2 295.427 0.723 20 0 CCADLP CCCN(C(=O)c1n[nH]c2c1C[NH2+]CC2)C1CC[NH2+]CC1 ZINC000834325234 614509261 /nfs/dbraw/zinc/50/92/61/614509261.db2.gz JSRXQYFIILYTHA-UHFFFAOYSA-N 2 2 291.399 0.660 20 0 CCADLP CCC[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980538440 614545773 /nfs/dbraw/zinc/54/57/73/614545773.db2.gz GSGPOYSPYWPLAY-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP CCC[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980538440 614545776 /nfs/dbraw/zinc/54/57/76/614545776.db2.gz GSGPOYSPYWPLAY-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP CCN(C#N)CC[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879594349 614558314 /nfs/dbraw/zinc/55/83/14/614558314.db2.gz GCSWCSPUPZFIQJ-UHFFFAOYSA-N 2 2 279.432 0.501 20 0 CCADLP CCN(C(=O)Cc1[nH]cc[nH+]1)C1CC[NH+](C)CC1 ZINC000861891270 614596531 /nfs/dbraw/zinc/59/65/31/614596531.db2.gz VWIFVOOJTPCZQG-UHFFFAOYSA-N 2 2 250.346 0.895 20 0 CCADLP CCN(C(=O)N[C@H](C)C[NH+]1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000891349822 614605090 /nfs/dbraw/zinc/60/50/90/614605090.db2.gz KFOPOMNDFRVHBX-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)C23CC[NH+](CC2)C3)CCO1 ZINC000900483219 614654673 /nfs/dbraw/zinc/65/46/73/614654673.db2.gz ILMZQFWHBNWNRX-UHFFFAOYSA-N 2 2 281.400 0.309 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)C23CC[NH+](CC2)C3)CCO1 ZINC000900483219 614654675 /nfs/dbraw/zinc/65/46/75/614654675.db2.gz ILMZQFWHBNWNRX-UHFFFAOYSA-N 2 2 281.400 0.309 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](C[C@@H](C)O)C1 ZINC000950469931 614676908 /nfs/dbraw/zinc/67/69/08/614676908.db2.gz UJGLMHXBQIZINU-HIFRSBDPSA-N 2 2 297.443 0.774 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)N(CC)C1C[NH+](C[C@@H](C)O)C1 ZINC000950469931 614676910 /nfs/dbraw/zinc/67/69/10/614676910.db2.gz UJGLMHXBQIZINU-HIFRSBDPSA-N 2 2 297.443 0.774 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913445111 614677647 /nfs/dbraw/zinc/67/76/47/614677647.db2.gz LGKUYUUPYYQXOY-KGLIPLIRSA-N 2 2 291.399 0.757 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913445111 614677649 /nfs/dbraw/zinc/67/76/49/614677649.db2.gz LGKUYUUPYYQXOY-KGLIPLIRSA-N 2 2 291.399 0.757 20 0 CCADLP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1C[NH+](CCOC)C1 ZINC000950096905 614685267 /nfs/dbraw/zinc/68/52/67/614685267.db2.gz HKVGNTHVGXWTET-HNNXBMFYSA-N 2 2 295.427 0.507 20 0 CCADLP CC1(C)CNC(=O)[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000895319049 614689788 /nfs/dbraw/zinc/68/97/88/614689788.db2.gz CFIFVOOKJAQUOK-STQMWFEESA-N 2 2 281.400 0.354 20 0 CCADLP CCC1([NH+](C)C)CC[NH+](CCc2nnnn2C)CC1 ZINC000879286262 614700466 /nfs/dbraw/zinc/70/04/66/614700466.db2.gz OUVLWWCMFDNMGG-UHFFFAOYSA-N 2 2 266.393 0.559 20 0 CCADLP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C1 ZINC000902393281 614704204 /nfs/dbraw/zinc/70/42/04/614704204.db2.gz OSCDUZHLZKQJKG-QWHCGFSZSA-N 3 2 255.406 0.733 20 0 CCADLP CCC1([NH3+])CC[NH+]([C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000925758512 614704421 /nfs/dbraw/zinc/70/44/21/614704421.db2.gz CFJZCROYCSWVFH-FRRDWIJNSA-N 3 2 255.406 0.942 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)/C=C(\C)C[NH+]2CCOCC2)C1 ZINC000912683256 614708316 /nfs/dbraw/zinc/70/83/16/614708316.db2.gz HNTPZLSMENWTMQ-ATGUSINASA-N 2 2 295.427 0.865 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)/C=C(\C)C[NH+]2CCOCC2)C1 ZINC000912683256 614708319 /nfs/dbraw/zinc/70/83/19/614708319.db2.gz HNTPZLSMENWTMQ-ATGUSINASA-N 2 2 295.427 0.865 20 0 CCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC000925765546 614807535 /nfs/dbraw/zinc/80/75/35/614807535.db2.gz KSUNBZJEZPKTMX-QWRGUYRKSA-N 2 2 260.403 0.684 20 0 CCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC000902500930 614808177 /nfs/dbraw/zinc/80/81/77/614808177.db2.gz NZTZZPMHDVMMQS-MNOVXSKESA-N 2 2 277.372 0.491 20 0 CCADLP CC1(C)OC[C@H](C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)O1 ZINC000851987205 614834685 /nfs/dbraw/zinc/83/46/85/614834685.db2.gz BMKPESCNDXLJQY-NSHDSACASA-N 2 2 266.345 0.683 20 0 CCADLP CCn1c[nH+]c2c1CCN(C[C@H](O)C[N@H+](C)CC)C2 ZINC000933254613 614851317 /nfs/dbraw/zinc/85/13/17/614851317.db2.gz DCESUIFBEDOITG-GFCCVEGCSA-N 2 2 266.389 0.574 20 0 CCADLP CCn1c[nH+]c2c1CCN(C[C@H](O)C[N@@H+](C)CC)C2 ZINC000933254613 614851318 /nfs/dbraw/zinc/85/13/18/614851318.db2.gz DCESUIFBEDOITG-GFCCVEGCSA-N 2 2 266.389 0.574 20 0 CCADLP CCCNC(=O)C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886865935 614851905 /nfs/dbraw/zinc/85/19/05/614851905.db2.gz YHLGXSIYBYWQRQ-AWEZNQCLSA-N 2 2 253.390 0.978 20 0 CCADLP CCCNC(=O)C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886865935 614851906 /nfs/dbraw/zinc/85/19/06/614851906.db2.gz YHLGXSIYBYWQRQ-AWEZNQCLSA-N 2 2 253.390 0.978 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000884363395 614861234 /nfs/dbraw/zinc/86/12/34/614861234.db2.gz BVELBSWLANQZAC-BLDJZWNYSA-N 2 2 267.373 0.117 20 0 CCADLP CCC[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000968534457 614892588 /nfs/dbraw/zinc/89/25/88/614892588.db2.gz HOQANZIYNCCPRQ-LLVKDONJSA-N 2 2 250.346 0.943 20 0 CCADLP CC1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)OCCCO1 ZINC000848547278 614903068 /nfs/dbraw/zinc/90/30/68/614903068.db2.gz LYVHDNNXODGLER-CQSZACIVSA-N 2 2 284.400 0.982 20 0 CCADLP CC1(NC(=O)/C=C\C[NH+]2CCOCC2)CC[NH2+]CC1 ZINC000876834329 614914145 /nfs/dbraw/zinc/91/41/45/614914145.db2.gz QXHCRBAROPWXEG-IHWYPQMZSA-N 2 2 267.373 0.133 20 0 CCADLP CCCOC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000842475643 614933127 /nfs/dbraw/zinc/93/31/27/614933127.db2.gz XBCBJDJOJYJODQ-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP CCCOC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000842475643 614933128 /nfs/dbraw/zinc/93/31/28/614933128.db2.gz XBCBJDJOJYJODQ-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP CCCSC[C@@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000892712727 614970992 /nfs/dbraw/zinc/97/09/92/614970992.db2.gz DFKTVUGJNFTZDB-GFCCVEGCSA-N 2 2 273.446 0.882 20 0 CCADLP CC1=NO[C@H](C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000827533206 614991960 /nfs/dbraw/zinc/99/19/60/614991960.db2.gz TXKBEXKOHAAUCC-AWEZNQCLSA-N 2 2 296.415 0.636 20 0 CCADLP CC1=NO[C@H](C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000827533206 614991964 /nfs/dbraw/zinc/99/19/64/614991964.db2.gz TXKBEXKOHAAUCC-AWEZNQCLSA-N 2 2 296.415 0.636 20 0 CCADLP CC[NH+](CC)CCN(CCOC)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865179262 614993718 /nfs/dbraw/zinc/99/37/18/614993718.db2.gz BHAQLAXJKMSHOU-CYBMUJFWSA-N 2 2 298.387 0.260 20 0 CCADLP CCN(CCC[NH+](C)C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000867698620 615042213 /nfs/dbraw/zinc/04/22/13/615042213.db2.gz CHVCOJUXVYTJMA-NSHDSACASA-N 2 2 254.334 0.243 20 0 CCADLP CCNC(=O)N1CC[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925589155 615055813 /nfs/dbraw/zinc/05/58/13/615055813.db2.gz VTOXTKIVNVIDHE-NEPJUHHUSA-N 2 2 266.389 0.664 20 0 CCADLP CCNC(=O)N1CC[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925589156 615056380 /nfs/dbraw/zinc/05/63/80/615056380.db2.gz VTOXTKIVNVIDHE-NWDGAFQWSA-N 2 2 266.389 0.664 20 0 CCADLP CC[NH2+]CC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000877201089 615079091 /nfs/dbraw/zinc/07/90/91/615079091.db2.gz CTOKMSAPKKMWLA-UHFFFAOYSA-N 2 2 294.424 0.861 20 0 CCADLP CC[NH2+]CC1CC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000962006540 615081867 /nfs/dbraw/zinc/08/18/67/615081867.db2.gz PIQXDYCRNOJOAV-CPCZMJQVSA-N 2 2 276.384 0.950 20 0 CCADLP CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000969889120 615094574 /nfs/dbraw/zinc/09/45/74/615094574.db2.gz SYNALZJYWPNATH-MVWJERBFSA-N 2 2 262.357 0.970 20 0 CCADLP CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000969889120 615094576 /nfs/dbraw/zinc/09/45/76/615094576.db2.gz SYNALZJYWPNATH-MVWJERBFSA-N 2 2 262.357 0.970 20 0 CCADLP CCO/C=C\C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000847485271 615143170 /nfs/dbraw/zinc/14/31/70/615143170.db2.gz BMKNSBRXXKMESM-LWMSPQMPSA-N 2 2 281.400 0.821 20 0 CCADLP CCO/C=C\C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000847485271 615143171 /nfs/dbraw/zinc/14/31/71/615143171.db2.gz BMKNSBRXXKMESM-LWMSPQMPSA-N 2 2 281.400 0.821 20 0 CCADLP CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)C1C[NH+](C(C)C)C1 ZINC000957413829 615180208 /nfs/dbraw/zinc/18/02/08/615180208.db2.gz XANQLZQGMCFMML-AWEZNQCLSA-N 2 2 283.416 0.648 20 0 CCADLP CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)C1C[NH+](C(C)C)C1 ZINC000957413829 615180209 /nfs/dbraw/zinc/18/02/09/615180209.db2.gz XANQLZQGMCFMML-AWEZNQCLSA-N 2 2 283.416 0.648 20 0 CCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](O)c2c[nH+]c[nH]2)[C@H](C)C1 ZINC000866049446 615272608 /nfs/dbraw/zinc/27/26/08/615272608.db2.gz OMQLFQYSRBOQLE-WXHSDQCUSA-N 2 2 280.372 0.632 20 0 CCADLP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](O)c2c[nH+]c[nH]2)[C@H](C)C1 ZINC000866049446 615272609 /nfs/dbraw/zinc/27/26/09/615272609.db2.gz OMQLFQYSRBOQLE-WXHSDQCUSA-N 2 2 280.372 0.632 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000943176321 615281427 /nfs/dbraw/zinc/28/14/27/615281427.db2.gz JWVDPLLLOBTWPX-JQWIXIFHSA-N 2 2 250.346 0.799 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000943176321 615281429 /nfs/dbraw/zinc/28/14/29/615281429.db2.gz JWVDPLLLOBTWPX-JQWIXIFHSA-N 2 2 250.346 0.799 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)NCC[NH+]1CCO[C@H](C)C1 ZINC000883271506 615317694 /nfs/dbraw/zinc/31/76/94/615317694.db2.gz OHADMWGRKPIJFU-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)NCC[NH+]1CCO[C@H](C)C1 ZINC000883271506 615317695 /nfs/dbraw/zinc/31/76/95/615317695.db2.gz OHADMWGRKPIJFU-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP CC[NH+]1CC[C@H]1CNC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000883271506 615317697 /nfs/dbraw/zinc/31/76/97/615317697.db2.gz OHADMWGRKPIJFU-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP CC[NH+]1CC[C@H]1CNC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000883271506 615317700 /nfs/dbraw/zinc/31/77/00/615317700.db2.gz OHADMWGRKPIJFU-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP CCO[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C[NH+](C)C ZINC000831707786 615405994 /nfs/dbraw/zinc/40/59/94/615405994.db2.gz LZZVLFDOKNCIND-STQMWFEESA-N 2 2 282.388 0.917 20 0 CCADLP CCO[C@@H](C[NH2+]C[C@](C)(O)C(F)(F)F)C[NH+](C)C ZINC000905577723 615410256 /nfs/dbraw/zinc/41/02/56/615410256.db2.gz ABZUWNZZQOIWRN-UWVGGRQHSA-N 2 2 272.311 0.856 20 0 CCADLP CC[C@@H](C[NH+]1CCN(C(=O)Cn2cc[nH+]c2C)CC1)OC ZINC000957663116 615475842 /nfs/dbraw/zinc/47/58/42/615475842.db2.gz BCYVZBRYBPPAQM-AWEZNQCLSA-N 2 2 294.399 0.761 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=S)NCC[NH+](C)C ZINC000905656981 615479826 /nfs/dbraw/zinc/47/98/26/615479826.db2.gz VYXVYNVQPAEUKB-LBPRGKRZSA-N 2 2 288.461 0.123 20 0 CCADLP CCO[C@H](CNC(=O)CNc1cccc[nH+]1)C[NH+](C)C ZINC000831709323 615480795 /nfs/dbraw/zinc/48/07/95/615480795.db2.gz ZCDSUDCOAWRYBR-GFCCVEGCSA-N 2 2 280.372 0.576 20 0 CCADLP CCO[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+])C[NH+](C)C ZINC000925841890 615484269 /nfs/dbraw/zinc/48/42/69/615484269.db2.gz ULZPSARYCGVRDZ-RFQIPJPRSA-N 3 2 273.421 0.295 20 0 CCADLP CC[C@@H](CO)Nc1cc(NCC[N@@H+]2CC[C@@H](O)C2)nc[nH+]1 ZINC000894782672 615491805 /nfs/dbraw/zinc/49/18/05/615491805.db2.gz WYVLJPDDYALGHY-NWDGAFQWSA-N 2 2 295.387 0.138 20 0 CCADLP CC[C@@H](CO)Nc1cc(NCC[N@H+]2CC[C@@H](O)C2)nc[nH+]1 ZINC000894782672 615491806 /nfs/dbraw/zinc/49/18/06/615491806.db2.gz WYVLJPDDYALGHY-NWDGAFQWSA-N 2 2 295.387 0.138 20 0 CCADLP CC[C@@H](C[C@@](C)(O)CC)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000924840474 615496336 /nfs/dbraw/zinc/49/63/36/615496336.db2.gz WDVIPYBUUPWUCK-ZFWWWQNUSA-N 2 2 285.432 0.680 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000907927428 615562260 /nfs/dbraw/zinc/56/22/60/615562260.db2.gz XQSLAMUMWWKKAD-GFCCVEGCSA-N 2 2 250.346 0.895 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000907927428 615562261 /nfs/dbraw/zinc/56/22/61/615562261.db2.gz XQSLAMUMWWKKAD-GFCCVEGCSA-N 2 2 250.346 0.895 20 0 CCADLP CC[C@H](C(=O)NC(C)(C)C[NH3+])[N@@H+]1CCO[C@H](CC)C1 ZINC000911761453 615564862 /nfs/dbraw/zinc/56/48/62/615564862.db2.gz AIUPWDIRDDHPIA-VXGBXAGGSA-N 2 2 271.405 0.729 20 0 CCADLP CC[C@H](C(=O)NC(C)(C)C[NH3+])[N@H+]1CCO[C@H](CC)C1 ZINC000911761453 615564863 /nfs/dbraw/zinc/56/48/63/615564863.db2.gz AIUPWDIRDDHPIA-VXGBXAGGSA-N 2 2 271.405 0.729 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000877433689 615569016 /nfs/dbraw/zinc/56/90/16/615569016.db2.gz HHRNBBKMHPXSFB-CHWSQXEVSA-N 2 2 283.416 0.602 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000877433689 615569017 /nfs/dbraw/zinc/56/90/17/615569017.db2.gz HHRNBBKMHPXSFB-CHWSQXEVSA-N 2 2 283.416 0.602 20 0 CCADLP CCn1ncc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000838790886 615696535 /nfs/dbraw/zinc/69/65/35/615696535.db2.gz KUYLKIPWPUTQBI-UHFFFAOYSA-N 2 2 293.415 0.842 20 0 CCADLP CC[C@H](C[NH+]1CCN(C(=O)Cc2c[nH+]cn2C)CC1)OC ZINC000957331074 615713398 /nfs/dbraw/zinc/71/33/98/615713398.db2.gz WLRDJTLXIVWLLK-CQSZACIVSA-N 2 2 294.399 0.532 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC000928646596 615714710 /nfs/dbraw/zinc/71/47/10/615714710.db2.gz CJJQNLNHZSTVLJ-CYBMUJFWSA-N 2 2 281.400 0.309 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000925357873 615717617 /nfs/dbraw/zinc/71/76/17/615717617.db2.gz YGQUFOGTMCETJG-BFHYXJOUSA-N 2 2 298.431 0.489 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000925357873 615717619 /nfs/dbraw/zinc/71/76/19/615717619.db2.gz YGQUFOGTMCETJG-BFHYXJOUSA-N 2 2 298.431 0.489 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(c2nccn3c[nH+]cc23)CC1 ZINC000892713787 615734873 /nfs/dbraw/zinc/73/48/73/615734873.db2.gz TZQZDHNZQWBMND-GFCCVEGCSA-N 2 2 275.356 0.622 20 0 CCADLP CC[C@H](F)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC000962150585 615788806 /nfs/dbraw/zinc/78/88/06/615788806.db2.gz UMXVOYAFEKYZEY-KZWBYHQPSA-N 2 2 280.347 0.747 20 0 CCADLP CC[C@H](F)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC000962150585 615788807 /nfs/dbraw/zinc/78/88/07/615788807.db2.gz UMXVOYAFEKYZEY-KZWBYHQPSA-N 2 2 280.347 0.747 20 0 CCADLP CC[C@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000925770084 615823438 /nfs/dbraw/zinc/82/34/38/615823438.db2.gz SMLVEHHRGREPFV-BJDJZHNGSA-N 2 2 260.403 0.682 20 0 CCADLP C[NH+](C)C1(CNC(=O)/C=C\C[NH+]2CCOCC2)CCC1 ZINC000867657315 615846309 /nfs/dbraw/zinc/84/63/09/615846309.db2.gz FNIOXNNVVKDKCI-HYXAFXHYSA-N 2 2 281.400 0.475 20 0 CCADLP C[NH+](C)C1(CNC(=O)NC[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000923000518 615849212 /nfs/dbraw/zinc/84/92/12/615849212.db2.gz VXZZGUBJQGMGIZ-GFCCVEGCSA-N 2 2 291.399 0.839 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928090394 615865677 /nfs/dbraw/zinc/86/56/77/615865677.db2.gz HVMWRNXHMKIIKV-GHMZBOCLSA-N 2 2 257.403 0.244 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928090394 615865679 /nfs/dbraw/zinc/86/56/79/615865679.db2.gz HVMWRNXHMKIIKV-GHMZBOCLSA-N 2 2 257.403 0.244 20 0 CCADLP C[NH+](C)CC1(O)CC[NH+](Cc2nc(CC3CC3)no2)CC1 ZINC000931480117 615872486 /nfs/dbraw/zinc/87/24/86/615872486.db2.gz MBNZHRYAACORIX-UHFFFAOYSA-N 2 2 294.399 0.911 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)COC1(C)CCC1 ZINC000855415387 615878566 /nfs/dbraw/zinc/87/85/66/615878566.db2.gz XDDNQZLNDQGODW-UHFFFAOYSA-N 2 2 285.432 0.945 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)COC1(C)CCC1 ZINC000855415387 615878568 /nfs/dbraw/zinc/87/85/68/615878568.db2.gz XDDNQZLNDQGODW-UHFFFAOYSA-N 2 2 285.432 0.945 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)COC1CC1 ZINC000880671885 615878701 /nfs/dbraw/zinc/87/87/01/615878701.db2.gz XVTQLMUQIQNMRZ-UHFFFAOYSA-N 2 2 257.378 0.165 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)COC1CC1 ZINC000880671885 615878703 /nfs/dbraw/zinc/87/87/03/615878703.db2.gz XVTQLMUQIQNMRZ-UHFFFAOYSA-N 2 2 257.378 0.165 20 0 CCADLP Cn1cnc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000898616219 615879556 /nfs/dbraw/zinc/87/95/56/615879556.db2.gz PXHAVEXAELMYFS-UHFFFAOYSA-N 2 2 296.419 0.103 20 0 CCADLP Cn1cnc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000898616219 615879557 /nfs/dbraw/zinc/87/95/57/615879557.db2.gz PXHAVEXAELMYFS-UHFFFAOYSA-N 2 2 296.419 0.103 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000809880929 615917009 /nfs/dbraw/zinc/91/70/09/615917009.db2.gz UMRYNUGKIIBUBT-UHFFFAOYSA-N 2 2 291.359 0.500 20 0 CCADLP CC[C@@H](C(=O)N1CCC[NH2+]CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000911656764 615917408 /nfs/dbraw/zinc/91/74/08/615917408.db2.gz SQVSUGJZFRFMBH-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@@H](C(=O)N1CCC[NH2+]CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000911656764 615917409 /nfs/dbraw/zinc/91/74/09/615917409.db2.gz SQVSUGJZFRFMBH-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+](C)CCn1nccc1C(=O)N[C@@H]1CCn2c[nH+]cc21 ZINC000912585142 615922231 /nfs/dbraw/zinc/92/22/31/615922231.db2.gz XYNKQUICIWMUOE-LLVKDONJSA-N 2 2 288.355 0.516 20 0 CCADLP CC[C@H]1CO[C@H](C)C[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000877964810 615931187 /nfs/dbraw/zinc/93/11/87/615931187.db2.gz UCXYJHKNHFNZQE-OCCSQVGLSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@H]1CO[C@H](C)C[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000877964810 615931188 /nfs/dbraw/zinc/93/11/88/615931188.db2.gz UCXYJHKNHFNZQE-OCCSQVGLSA-N 2 2 283.416 0.696 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@@H](O)c2ccccn2)C1 ZINC000878865873 615952715 /nfs/dbraw/zinc/95/27/15/615952715.db2.gz OPZMEUZBOAZPIM-HUUCEWRRSA-N 2 2 279.384 0.504 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@@H](O)c2ccccn2)C1 ZINC000878865873 615952718 /nfs/dbraw/zinc/95/27/18/615952718.db2.gz OPZMEUZBOAZPIM-HUUCEWRRSA-N 2 2 279.384 0.504 20 0 CCADLP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1C ZINC000924986078 615957386 /nfs/dbraw/zinc/95/73/86/615957386.db2.gz HERJKJQOQIDFCE-RYUDHWBXSA-N 2 2 297.424 0.605 20 0 CCADLP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1C[C@H](O)C[N@H+]1C ZINC000924986078 615957389 /nfs/dbraw/zinc/95/73/89/615957389.db2.gz HERJKJQOQIDFCE-RYUDHWBXSA-N 2 2 297.424 0.605 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC000901161369 615980618 /nfs/dbraw/zinc/98/06/18/615980618.db2.gz AXGMFWUSAGZWQQ-MCIONIFRSA-N 2 2 292.383 0.662 20 0 CCADLP C[NH+](C)[C@H](C(=O)N1CC[NH+](CCCF)CC1)C1CC1 ZINC000948759924 615987827 /nfs/dbraw/zinc/98/78/27/615987827.db2.gz MSLKIKZIPZPHPD-ZDUSSCGKSA-N 2 2 271.380 0.830 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+]([C@@H]3C[C@H]4CCCC[C@H]4NC3=O)C[C@H]21 ZINC000931277711 615998984 /nfs/dbraw/zinc/99/89/84/615998984.db2.gz NMZSOFCWNUVZPN-KYFQHEKYSA-N 2 2 277.412 0.926 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+]([C@@H]3C[C@H]4CCCC[C@H]4NC3=O)C[C@H]21 ZINC000931277711 615998986 /nfs/dbraw/zinc/99/89/86/615998986.db2.gz NMZSOFCWNUVZPN-KYFQHEKYSA-N 2 2 277.412 0.926 20 0 CCADLP C[N@H+](CCN1C[C@H]2CC[C@@H](C1)O2)C1(C[NH3+])CCOCC1 ZINC000903809735 616090127 /nfs/dbraw/zinc/09/01/27/616090127.db2.gz KAMQTMVASROPPM-OKILXGFUSA-N 2 2 283.416 0.289 20 0 CCADLP C[N@@H+](CCN1C[C@H]2CC[C@@H](C1)O2)C1(C[NH3+])CCOCC1 ZINC000903809735 616090129 /nfs/dbraw/zinc/09/01/29/616090129.db2.gz KAMQTMVASROPPM-OKILXGFUSA-N 2 2 283.416 0.289 20 0 CCADLP C[N@H+](CCOCC[NH3+])CC(=O)Nc1ccc(Cl)nc1 ZINC000863557174 616115942 /nfs/dbraw/zinc/11/59/42/616115942.db2.gz KYLJCYKHRDGHGN-UHFFFAOYSA-N 2 2 286.763 0.581 20 0 CCADLP C[N@@H+](CCOCC[NH3+])CC(=O)Nc1ccc(Cl)nc1 ZINC000863557174 616115943 /nfs/dbraw/zinc/11/59/43/616115943.db2.gz KYLJCYKHRDGHGN-UHFFFAOYSA-N 2 2 286.763 0.581 20 0 CCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCc1c[nH+]cn1C ZINC000869222742 616137041 /nfs/dbraw/zinc/13/70/41/616137041.db2.gz JDEIVVFSQQNANJ-NSHDSACASA-N 2 2 265.361 0.656 20 0 CCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCc1c[nH+]cn1C ZINC000869222742 616137042 /nfs/dbraw/zinc/13/70/42/616137042.db2.gz JDEIVVFSQQNANJ-NSHDSACASA-N 2 2 265.361 0.656 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]C[C@@H](O)c1ccccc1F)C1CC1 ZINC000843065967 616149422 /nfs/dbraw/zinc/14/94/22/616149422.db2.gz OAWCPZZNAXOHPI-IUODEOHRSA-N 2 2 282.359 0.904 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H](O)c1ccccc1F)C1CC1 ZINC000843065967 616149423 /nfs/dbraw/zinc/14/94/23/616149423.db2.gz OAWCPZZNAXOHPI-IUODEOHRSA-N 2 2 282.359 0.904 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc(CCO)cc1)C1CC1 ZINC000905695447 616150073 /nfs/dbraw/zinc/15/00/73/616150073.db2.gz LBBAJGHLTKTQBK-MRXNPFEDSA-N 2 2 278.396 0.766 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc(CCO)cc1)C1CC1 ZINC000905695447 616150074 /nfs/dbraw/zinc/15/00/74/616150074.db2.gz LBBAJGHLTKTQBK-MRXNPFEDSA-N 2 2 278.396 0.766 20 0 CCADLP C[NH+]1CCC(OCC(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000932717426 616175273 /nfs/dbraw/zinc/17/52/73/616175273.db2.gz MNPNGZKGPAJGDF-UHFFFAOYSA-N 2 2 294.399 0.890 20 0 CCADLP C[NH+]1CCC(OCC(=O)NCc2ccc(N)[nH+]c2)CC1 ZINC000927776953 616175443 /nfs/dbraw/zinc/17/54/43/616175443.db2.gz HJGYFISEMCFJTK-UHFFFAOYSA-N 2 2 278.356 0.391 20 0 CCADLP C[N@@H+]1CCCC[C@@H](CNC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000869416713 616178407 /nfs/dbraw/zinc/17/84/07/616178407.db2.gz RRWPSMPHPIJJTR-VOKGJARPSA-N 2 2 295.427 0.723 20 0 CCADLP C[N@H+]1CCCC[C@@H](CNC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000869416713 616178408 /nfs/dbraw/zinc/17/84/08/616178408.db2.gz RRWPSMPHPIJJTR-VOKGJARPSA-N 2 2 295.427 0.723 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000876854613 616183089 /nfs/dbraw/zinc/18/30/89/616183089.db2.gz VNMXWJRBDPQUMD-UWVGGRQHSA-N 2 2 261.316 0.536 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000876854613 616183090 /nfs/dbraw/zinc/18/30/90/616183090.db2.gz VNMXWJRBDPQUMD-UWVGGRQHSA-N 2 2 261.316 0.536 20 0 CCADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865894910 616187893 /nfs/dbraw/zinc/18/78/93/616187893.db2.gz QLBMAWUEFDFUCV-ZYHUDNBSSA-N 2 2 266.345 0.243 20 0 CCADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865894910 616187894 /nfs/dbraw/zinc/18/78/94/616187894.db2.gz QLBMAWUEFDFUCV-ZYHUDNBSSA-N 2 2 266.345 0.243 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H](O)CC(C)(C)O ZINC000880140162 616199360 /nfs/dbraw/zinc/19/93/60/616199360.db2.gz FHDNSPUXVRVNQG-RWMBFGLXSA-N 2 2 256.390 0.677 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H](O)CC(C)(C)O ZINC000880140162 616199361 /nfs/dbraw/zinc/19/93/61/616199361.db2.gz FHDNSPUXVRVNQG-RWMBFGLXSA-N 2 2 256.390 0.677 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H](O)CC(C)(C)O ZINC000880140162 616199362 /nfs/dbraw/zinc/19/93/62/616199362.db2.gz FHDNSPUXVRVNQG-RWMBFGLXSA-N 2 2 256.390 0.677 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H](O)CC(C)(C)O ZINC000880140162 616199363 /nfs/dbraw/zinc/19/93/63/616199363.db2.gz FHDNSPUXVRVNQG-RWMBFGLXSA-N 2 2 256.390 0.677 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@@H](O)CC(C)(C)O ZINC000880140163 616200806 /nfs/dbraw/zinc/20/08/06/616200806.db2.gz FHDNSPUXVRVNQG-YNEHKIRRSA-N 2 2 256.390 0.677 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@@H](O)CC(C)(C)O ZINC000880140163 616200807 /nfs/dbraw/zinc/20/08/07/616200807.db2.gz FHDNSPUXVRVNQG-YNEHKIRRSA-N 2 2 256.390 0.677 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H](O)CC(C)(C)O ZINC000880140163 616200808 /nfs/dbraw/zinc/20/08/08/616200808.db2.gz FHDNSPUXVRVNQG-YNEHKIRRSA-N 2 2 256.390 0.677 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@@H](O)CC(C)(C)O ZINC000880140163 616200809 /nfs/dbraw/zinc/20/08/09/616200809.db2.gz FHDNSPUXVRVNQG-YNEHKIRRSA-N 2 2 256.390 0.677 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000895291159 616216908 /nfs/dbraw/zinc/21/69/08/616216908.db2.gz IENVSEVSGVSRTO-KGLIPLIRSA-N 2 2 291.399 0.841 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c1 ZINC000895291159 616216909 /nfs/dbraw/zinc/21/69/09/616216909.db2.gz IENVSEVSGVSRTO-KGLIPLIRSA-N 2 2 291.399 0.841 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)CC1 ZINC000924840891 616223750 /nfs/dbraw/zinc/22/37/50/616223750.db2.gz YBIMDYPLTDSOGL-MJBXVCDLSA-N 2 2 263.385 0.705 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000924839386 616223757 /nfs/dbraw/zinc/22/37/57/616223757.db2.gz LXCMHXGVRSZUIM-CABCVRRESA-N 2 2 294.443 0.367 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCc3cccnc32)CC1 ZINC000886516422 616223768 /nfs/dbraw/zinc/22/37/68/616223768.db2.gz HKLHEMFSWOWKNN-CYBMUJFWSA-N 2 2 274.368 0.433 20 0 CCADLP C[N@@H+]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1CO ZINC000913543654 616230592 /nfs/dbraw/zinc/23/05/92/616230592.db2.gz NCRSXNCIFSKZNN-CYBMUJFWSA-N 2 2 274.324 0.083 20 0 CCADLP C[N@H+]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1CO ZINC000913543654 616230593 /nfs/dbraw/zinc/23/05/93/616230593.db2.gz NCRSXNCIFSKZNN-CYBMUJFWSA-N 2 2 274.324 0.083 20 0 CCADLP C[N@@H+]1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C[NH3+])C1 ZINC000903915978 616240359 /nfs/dbraw/zinc/24/03/59/616240359.db2.gz DULMTYXTQYALDM-GSPSYOTPSA-N 3 2 252.406 0.092 20 0 CCADLP C[N@H+]1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C[NH3+])C1 ZINC000903915978 616240360 /nfs/dbraw/zinc/24/03/60/616240360.db2.gz DULMTYXTQYALDM-GSPSYOTPSA-N 3 2 252.406 0.092 20 0 CCADLP COC/C(C)=C/C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000930072584 616372698 /nfs/dbraw/zinc/37/26/98/616372698.db2.gz SJPHAJTZRAQCOZ-WQPBDQAGSA-N 2 2 295.427 0.993 20 0 CCADLP COC/C(C)=C/C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000930072584 616372700 /nfs/dbraw/zinc/37/27/00/616372700.db2.gz SJPHAJTZRAQCOZ-WQPBDQAGSA-N 2 2 295.427 0.993 20 0 CCADLP COCC[N@@H+]1CC[C@@H](N[C@H]2CC[NH+](CC(C)(C)O)C2)C1 ZINC000865659101 616406992 /nfs/dbraw/zinc/40/69/92/616406992.db2.gz GYLCTBLABRHQRD-KGLIPLIRSA-N 2 2 285.432 0.142 20 0 CCADLP COCC[N@H+]1CC[C@@H](N[C@H]2CC[NH+](CC(C)(C)O)C2)C1 ZINC000865659101 616406994 /nfs/dbraw/zinc/40/69/94/616406994.db2.gz GYLCTBLABRHQRD-KGLIPLIRSA-N 2 2 285.432 0.142 20 0 CCADLP COCC[NH+]1CC[C@@H](N[C@H]2CC[N@H+](CC(C)(C)O)C2)C1 ZINC000865659101 616406998 /nfs/dbraw/zinc/40/69/98/616406998.db2.gz GYLCTBLABRHQRD-KGLIPLIRSA-N 2 2 285.432 0.142 20 0 CCADLP COCC[NH+]1CC[C@@H](N[C@H]2CC[N@@H+](CC(C)(C)O)C2)C1 ZINC000865659101 616407001 /nfs/dbraw/zinc/40/70/01/616407001.db2.gz GYLCTBLABRHQRD-KGLIPLIRSA-N 2 2 285.432 0.142 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827276744 616436886 /nfs/dbraw/zinc/43/68/86/616436886.db2.gz FJIXSGOHKDMPHC-GXTWGEPZSA-N 2 2 276.384 0.905 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827276744 616436890 /nfs/dbraw/zinc/43/68/90/616436890.db2.gz FJIXSGOHKDMPHC-GXTWGEPZSA-N 2 2 276.384 0.905 20 0 CCADLP C[N@@H+]1CC[C@H]2CN(C(=O)NCCn3cc[nH+]c3)CC[C@H]21 ZINC000864423331 616438556 /nfs/dbraw/zinc/43/85/56/616438556.db2.gz URNJMNZYXQFBFK-QWHCGFSZSA-N 2 2 277.372 0.619 20 0 CCADLP C[N@H+]1CC[C@H]2CN(C(=O)NCCn3cc[nH+]c3)CC[C@H]21 ZINC000864423331 616438559 /nfs/dbraw/zinc/43/85/59/616438559.db2.gz URNJMNZYXQFBFK-QWHCGFSZSA-N 2 2 277.372 0.619 20 0 CCADLP COC(=O)C1=NO[C@]2(CC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC000879483548 616440054 /nfs/dbraw/zinc/44/00/54/616440054.db2.gz IXDNAKWSQASVFP-SWLSCSKDSA-N 2 2 295.383 0.865 20 0 CCADLP COC(=O)C1=NO[C@]2(CC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC000879483548 616440056 /nfs/dbraw/zinc/44/00/56/616440056.db2.gz IXDNAKWSQASVFP-SWLSCSKDSA-N 2 2 295.383 0.865 20 0 CCADLP COC(=O)C1=NO[C@]2(CC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC000879483548 616440058 /nfs/dbraw/zinc/44/00/58/616440058.db2.gz IXDNAKWSQASVFP-SWLSCSKDSA-N 2 2 295.383 0.865 20 0 CCADLP COC(=O)C1=NO[C@]2(CC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)C1 ZINC000879483548 616440060 /nfs/dbraw/zinc/44/00/60/616440060.db2.gz IXDNAKWSQASVFP-SWLSCSKDSA-N 2 2 295.383 0.865 20 0 CCADLP CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879572311 616444711 /nfs/dbraw/zinc/44/47/11/616444711.db2.gz GDHFREXIKZWUGY-QWHCGFSZSA-N 2 2 289.445 0.294 20 0 CCADLP CN(C)S(=O)(=O)CCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879572311 616444712 /nfs/dbraw/zinc/44/47/12/616444712.db2.gz GDHFREXIKZWUGY-QWHCGFSZSA-N 2 2 289.445 0.294 20 0 CCADLP CN(C)S(=O)(=O)CCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879572311 616444714 /nfs/dbraw/zinc/44/47/14/616444714.db2.gz GDHFREXIKZWUGY-QWHCGFSZSA-N 2 2 289.445 0.294 20 0 CCADLP CN(C)S(=O)(=O)CCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879572311 616444716 /nfs/dbraw/zinc/44/47/16/616444716.db2.gz GDHFREXIKZWUGY-QWHCGFSZSA-N 2 2 289.445 0.294 20 0 CCADLP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000901136656 616449521 /nfs/dbraw/zinc/44/95/21/616449521.db2.gz ZDOUQNLDLUYTPJ-YPMHNXCESA-N 2 2 262.357 0.895 20 0 CCADLP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000901136656 616449524 /nfs/dbraw/zinc/44/95/24/616449524.db2.gz ZDOUQNLDLUYTPJ-YPMHNXCESA-N 2 2 262.357 0.895 20 0 CCADLP COC(=O)[C@H]1C[C@@H]([N@H+](C)C[C@H](O)C[NH+]2CCCC2)C1 ZINC000852694081 616470843 /nfs/dbraw/zinc/47/08/43/616470843.db2.gz JQGSFWZGPLSNGM-XQQFMLRXSA-N 2 2 270.373 0.327 20 0 CCADLP COC(=O)[C@H]1C[C@@H]([N@@H+](C)C[C@H](O)C[NH+]2CCCC2)C1 ZINC000852694081 616470845 /nfs/dbraw/zinc/47/08/45/616470845.db2.gz JQGSFWZGPLSNGM-XQQFMLRXSA-N 2 2 270.373 0.327 20 0 CCADLP COCC[N@H+]1[C@H](C)CN(C(=O)[C@@H](C)[NH+](C)C)C[C@@H]1C ZINC000824026367 616476048 /nfs/dbraw/zinc/47/60/48/616476048.db2.gz SOLBALPIMMFGRG-FRRDWIJNSA-N 2 2 271.405 0.504 20 0 CCADLP COCC[N@@H+]1[C@H](C)CN(C(=O)[C@@H](C)[NH+](C)C)C[C@@H]1C ZINC000824026367 616476049 /nfs/dbraw/zinc/47/60/49/616476049.db2.gz SOLBALPIMMFGRG-FRRDWIJNSA-N 2 2 271.405 0.504 20 0 CCADLP COC1(OC)CC[C@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000924752107 616484416 /nfs/dbraw/zinc/48/44/16/616484416.db2.gz AOWRSSPKVGHSNS-CYBMUJFWSA-N 2 2 272.389 0.574 20 0 CCADLP Cn1ncc2cc(C[N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)cnc21 ZINC000877482283 616512717 /nfs/dbraw/zinc/51/27/17/616512717.db2.gz CIYOGRUJSBTBMK-OKILXGFUSA-N 2 2 271.368 0.962 20 0 CCADLP Cn1ncc2cc(C[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)cnc21 ZINC000877482283 616512719 /nfs/dbraw/zinc/51/27/19/616512719.db2.gz CIYOGRUJSBTBMK-OKILXGFUSA-N 2 2 271.368 0.962 20 0 CCADLP Cn1ncc2cc(C[NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)cnc21 ZINC000877482283 616512721 /nfs/dbraw/zinc/51/27/21/616512721.db2.gz CIYOGRUJSBTBMK-OKILXGFUSA-N 2 2 271.368 0.962 20 0 CCADLP Cn1ncc2cc(C[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)cnc21 ZINC000877482283 616512723 /nfs/dbraw/zinc/51/27/23/616512723.db2.gz CIYOGRUJSBTBMK-OKILXGFUSA-N 2 2 271.368 0.962 20 0 CCADLP C[NH+]1C[C@]2(C)CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000864077801 616513099 /nfs/dbraw/zinc/51/30/99/616513099.db2.gz RENODIYAMFIHAV-ZIAGYGMSSA-N 2 2 262.357 0.752 20 0 CCADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000870979495 616519069 /nfs/dbraw/zinc/51/90/69/616519069.db2.gz MRIZSFQIWVOVQV-KGLIPLIRSA-N 2 2 275.352 0.278 20 0 CCADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000870979495 616519074 /nfs/dbraw/zinc/51/90/74/616519074.db2.gz MRIZSFQIWVOVQV-KGLIPLIRSA-N 2 2 275.352 0.278 20 0 CCADLP COCCOC[C@@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000893707617 616559617 /nfs/dbraw/zinc/55/96/17/616559617.db2.gz WGPXGAYODUSJJJ-NEPJUHHUSA-N 2 2 253.346 0.839 20 0 CCADLP COCC[C@H]1C[NH2+]CCN1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000899247073 616687694 /nfs/dbraw/zinc/68/76/94/616687694.db2.gz FBIVASFNAKASII-OLZOCXBDSA-N 2 2 295.387 0.292 20 0 CCADLP COC[C@H]([NH2+]CCn1cc[nH+]c1)[C@@H]1CCCOC1 ZINC000883165977 616720651 /nfs/dbraw/zinc/72/06/51/616720651.db2.gz QAUKANGTIQDPHQ-OLZOCXBDSA-N 2 2 253.346 0.914 20 0 CCADLP COCC(COC)[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000930626162 616724547 /nfs/dbraw/zinc/72/45/47/616724547.db2.gz KYMBWKSYPVIFDK-UHFFFAOYSA-N 2 2 288.432 0.720 20 0 CCADLP COCCn1cc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cn1 ZINC000903954596 616734669 /nfs/dbraw/zinc/73/46/69/616734669.db2.gz GANNHCCXAWUUED-LBPRGKRZSA-N 2 2 288.342 0.864 20 0 CCADLP COC[C@@H](C)[NH+]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000948761166 616806859 /nfs/dbraw/zinc/80/68/59/616806859.db2.gz DKXRSCFOYSXRBR-TZMCWYRMSA-N 2 2 283.416 0.506 20 0 CCADLP COC(=O)NC1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000852765570 616859518 /nfs/dbraw/zinc/85/95/18/616859518.db2.gz SEVJKBZIXPVFIM-CYBMUJFWSA-N 2 2 285.388 0.262 20 0 CCADLP COC(=O)NC1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000852765570 616859522 /nfs/dbraw/zinc/85/95/22/616859522.db2.gz SEVJKBZIXPVFIM-CYBMUJFWSA-N 2 2 285.388 0.262 20 0 CCADLP CNC(=O)[C@H](CCSC)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925668854 616863119 /nfs/dbraw/zinc/86/31/19/616863119.db2.gz KVCAOFKDYRIRLJ-LIBFEPKXSA-N 2 2 283.441 0.440 20 0 CCADLP COCCCNC(=O)C[N@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903718448 616888251 /nfs/dbraw/zinc/88/82/51/616888251.db2.gz MQCSYCOEPRNUAH-ZDUSSCGKSA-N 2 2 271.405 0.461 20 0 CCADLP COCCCNC(=O)C[N@@H+](C)C[C@H]1CCCC[NH2+]C1 ZINC000903718448 616888254 /nfs/dbraw/zinc/88/82/54/616888254.db2.gz MQCSYCOEPRNUAH-ZDUSSCGKSA-N 2 2 271.405 0.461 20 0 CCADLP C[NH2+]CCC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000827975369 616939364 /nfs/dbraw/zinc/93/93/64/616939364.db2.gz GZFYNEXFVQYRGF-UHFFFAOYSA-N 2 2 251.330 0.933 20 0 CCADLP C[NH2+]CCNC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000841763812 616961886 /nfs/dbraw/zinc/96/18/86/616961886.db2.gz CNWCVOUPXHBBQH-UHFFFAOYSA-N 2 2 266.345 0.726 20 0 CCADLP C[NH2+]CCOCCN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC000884434943 616963502 /nfs/dbraw/zinc/96/35/02/616963502.db2.gz CZTJIWRKEPCBRH-UHFFFAOYSA-N 2 2 282.388 0.621 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000933374382 616965979 /nfs/dbraw/zinc/96/59/79/616965979.db2.gz BENMVLFWYIOTHY-KBPBESRZSA-N 2 2 286.416 0.617 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000933374382 616965986 /nfs/dbraw/zinc/96/59/86/616965986.db2.gz BENMVLFWYIOTHY-KBPBESRZSA-N 2 2 286.416 0.617 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCc2cccc(NC(C)=O)c2C1 ZINC000866683906 617002276 /nfs/dbraw/zinc/00/22/76/617002276.db2.gz HCRMSYLCUOYTMO-INIZCTEOSA-N 2 2 291.395 0.974 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCc2cccc(NC(C)=O)c2C1 ZINC000866683906 617002281 /nfs/dbraw/zinc/00/22/81/617002281.db2.gz HCRMSYLCUOYTMO-INIZCTEOSA-N 2 2 291.395 0.974 20 0 CCADLP C[NH2+][C@@H](CC(C)C)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000884405197 617043751 /nfs/dbraw/zinc/04/37/51/617043751.db2.gz KBXUBBZDUUQEJS-KGLIPLIRSA-N 2 2 283.416 0.554 20 0 CCADLP C[NH2+][C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC000884009276 617053501 /nfs/dbraw/zinc/05/35/01/617053501.db2.gz RNCLVSDGWNOMEM-NSHDSACASA-N 2 2 250.346 0.747 20 0 CCADLP CNc1cc(N2CC[NH+](C[C@H]3CCOC3)CC2)nc[nH+]1 ZINC000892836886 617058534 /nfs/dbraw/zinc/05/85/34/617058534.db2.gz SIZTXEBRMCFDPF-GFCCVEGCSA-N 2 2 277.372 0.677 20 0 CCADLP CNc1cc(NC[C@H]2CCC[N@@H+]2CCCO)nc[nH+]1 ZINC000894022656 617060699 /nfs/dbraw/zinc/06/06/99/617060699.db2.gz ZKTGBOOTXAZLNU-LLVKDONJSA-N 2 2 265.361 0.777 20 0 CCADLP CNc1cc(NC[C@H]2CCC[N@H+]2CCCO)nc[nH+]1 ZINC000894022656 617060701 /nfs/dbraw/zinc/06/07/01/617060701.db2.gz ZKTGBOOTXAZLNU-LLVKDONJSA-N 2 2 265.361 0.777 20 0 CCADLP CON1CC[C@@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)C1=O ZINC000905762185 617094625 /nfs/dbraw/zinc/09/46/25/617094625.db2.gz RMQMOQVZHHSKCW-CQSZACIVSA-N 2 2 299.415 0.628 20 0 CCADLP CON1CC[C@H]([N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC000903454075 617097956 /nfs/dbraw/zinc/09/79/56/617097956.db2.gz UINMJMMCJYUWDJ-AAEUAGOBSA-N 2 2 253.346 0.224 20 0 CCADLP CON1CC[C@H]([N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC000903454075 617097957 /nfs/dbraw/zinc/09/79/57/617097957.db2.gz UINMJMMCJYUWDJ-AAEUAGOBSA-N 2 2 253.346 0.224 20 0 CCADLP COc1c(C)c[nH+]c(CNC(=O)[C@@H](C)C[NH3+])c1C ZINC000827976956 617145906 /nfs/dbraw/zinc/14/59/06/617145906.db2.gz XGRYQESJNTWLKV-QMMMGPOBSA-N 2 2 251.330 0.918 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866210090 617147713 /nfs/dbraw/zinc/14/77/13/617147713.db2.gz XUPCLMARJOGJSY-VHSXEESVSA-N 2 2 263.345 0.598 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866210090 617147714 /nfs/dbraw/zinc/14/77/14/617147714.db2.gz XUPCLMARJOGJSY-VHSXEESVSA-N 2 2 263.345 0.598 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866210091 617147899 /nfs/dbraw/zinc/14/78/99/617147899.db2.gz XUPCLMARJOGJSY-ZJUUUORDSA-N 2 2 263.345 0.598 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000866210091 617147901 /nfs/dbraw/zinc/14/79/01/617147901.db2.gz XUPCLMARJOGJSY-ZJUUUORDSA-N 2 2 263.345 0.598 20 0 CCADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000925689957 625576174 /nfs/dbraw/zinc/57/61/74/625576174.db2.gz IWGTWVSRCWHZOB-MQYQWHSLSA-N 2 2 253.390 0.580 20 0 CCADLP Cc1oncc1C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001022775910 622744130 /nfs/dbraw/zinc/74/41/30/622744130.db2.gz MZRDAPJEZHOQEA-TXEJJXNPSA-N 2 2 289.339 0.686 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCCO2)C1 ZINC001022776391 622744702 /nfs/dbraw/zinc/74/47/02/622744702.db2.gz ZTNPCIXMGXNNKY-SCRDCRAPSA-N 2 2 292.383 0.758 20 0 CCADLP Cc1noc(C[NH2+][C@H]2C[C@@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC001023088942 622906309 /nfs/dbraw/zinc/90/63/09/622906309.db2.gz QKKGBRFACDMTAU-TXEJJXNPSA-N 2 2 293.371 0.211 20 0 CCADLP CC[C@@H](C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000123970090 625604783 /nfs/dbraw/zinc/60/47/83/625604783.db2.gz ZWGWQYJQRZTUJE-WOPDTQHZSA-N 2 2 257.378 0.162 20 0 CCADLP CC[C@@H](C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000123970090 625604785 /nfs/dbraw/zinc/60/47/85/625604785.db2.gz ZWGWQYJQRZTUJE-WOPDTQHZSA-N 2 2 257.378 0.162 20 0 CCADLP CC(C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001023116194 622913872 /nfs/dbraw/zinc/91/38/72/622913872.db2.gz CVBPTDMMYFPHTH-QLFBSQMISA-N 2 2 295.427 0.742 20 0 CCADLP CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001023117306 622915537 /nfs/dbraw/zinc/91/55/37/622915537.db2.gz QHKYJHCCHIKBRV-HZSPNIEDSA-N 2 2 281.400 0.354 20 0 CCADLP Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3)C2)on1 ZINC001023159049 622930913 /nfs/dbraw/zinc/93/09/13/622930913.db2.gz PCQPWFRAJMFCCS-TXEJJXNPSA-N 2 2 289.339 0.617 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC001023158787 622930970 /nfs/dbraw/zinc/93/09/70/622930970.db2.gz HHKGHTQTDGUVQJ-MCIONIFRSA-N 2 2 292.383 0.547 20 0 CCADLP CC(C)(C)[NH2+]Cc1cn(CC[NH+]2CCOCC2)nn1 ZINC000052377831 623413916 /nfs/dbraw/zinc/41/39/16/623413916.db2.gz ZGAFTTJSRUVPEG-UHFFFAOYSA-N 2 2 267.377 0.498 20 0 CCADLP C[C@H]1CCC[N@@H+]1CCNC(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000892595846 623571124 /nfs/dbraw/zinc/57/11/24/623571124.db2.gz LISJQJJBWQSMMU-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H]1CCC[N@H+]1CCNC(=O)NCC[NH+]1CCO[C@@H](C)C1 ZINC000892595846 623571129 /nfs/dbraw/zinc/57/11/29/623571129.db2.gz LISJQJJBWQSMMU-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H]1CCC[NH+]1CCNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000892595846 623571138 /nfs/dbraw/zinc/57/11/38/623571138.db2.gz LISJQJJBWQSMMU-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H]1CCC[NH+]1CCNC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000892595846 623571146 /nfs/dbraw/zinc/57/11/46/623571146.db2.gz LISJQJJBWQSMMU-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001026927651 625663378 /nfs/dbraw/zinc/66/33/78/625663378.db2.gz SPDSRXVTZRLBJD-QWHCGFSZSA-N 2 2 276.384 0.904 20 0 CCADLP CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001026927652 625663470 /nfs/dbraw/zinc/66/34/70/625663470.db2.gz SPDSRXVTZRLBJD-STQMWFEESA-N 2 2 276.384 0.904 20 0 CCADLP CC(C)(CNC(=O)[C@H]([NH3+])CC1CC1)[NH+]1CCOCC1 ZINC000311842919 623805746 /nfs/dbraw/zinc/80/57/46/623805746.db2.gz NSXCCBCJDYXHMO-GFCCVEGCSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NCCC(C)(C)[NH3+] ZINC000892849384 623852534 /nfs/dbraw/zinc/85/25/34/623852534.db2.gz IFNKSYCBMMKXOW-QWHCGFSZSA-N 2 2 298.431 0.618 20 0 CCADLP C[NH+]1CCN(CCC[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000328470014 623883951 /nfs/dbraw/zinc/88/39/51/623883951.db2.gz ZEXQJNVNLCNMTG-RFBLXINOSA-N 3 2 278.444 0.210 20 0 CCADLP Cc1cc(C)c(C(=O)N2CC[C@@H]([NH2+]CCO)C2)c(C)[nH+]1 ZINC000969412907 624499453 /nfs/dbraw/zinc/49/94/53/624499453.db2.gz SEHYDBDCMFUBKU-CYBMUJFWSA-N 2 2 277.368 0.803 20 0 CCADLP O[C@H](CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000902504658 634394646 /nfs/dbraw/zinc/39/46/46/634394646.db2.gz PPJIQECDDRDRKY-RDBSUJKOSA-N 2 2 254.374 0.504 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCCCO2)C1 ZINC001020819219 624607015 /nfs/dbraw/zinc/60/70/15/624607015.db2.gz TYGULUUKKVPMEB-AVGNSLFASA-N 2 2 292.383 0.758 20 0 CCADLP C[C@@H](CC(=O)N1CC[C@@H]([NH2+]CCO)C1)n1cc[nH+]c1 ZINC000970130108 624612918 /nfs/dbraw/zinc/61/29/18/624612918.db2.gz UIOVFJDUFISJJH-NWDGAFQWSA-N 2 2 266.345 0.017 20 0 CCADLP CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001021079531 624658628 /nfs/dbraw/zinc/65/86/28/624658628.db2.gz ADYPEQWAYIDYAX-KKUMJFAQSA-N 2 2 295.427 0.744 20 0 CCADLP Cc1nc(C[NH2+][C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)co1 ZINC001021126759 624663048 /nfs/dbraw/zinc/66/30/48/624663048.db2.gz WGZDZSYDAXFMMZ-HAQNSBGRSA-N 2 2 289.339 0.617 20 0 CCADLP O=C(C[NH+]1CCCC1)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC000970720590 624738926 /nfs/dbraw/zinc/73/89/26/624738926.db2.gz VXNKVWWIZDXQPX-LLVKDONJSA-N 2 2 295.412 0.324 20 0 CCADLP Cc1csc2nc(C[N@@H+]3CC[C@H](C[NH3+])C3)cc(=O)n12 ZINC000050247441 624803238 /nfs/dbraw/zinc/80/32/38/624803238.db2.gz STPVWZOCDREZBW-SNVBAGLBSA-N 2 2 278.381 0.845 20 0 CCADLP Cc1csc2nc(C[N@H+]3CC[C@H](C[NH3+])C3)cc(=O)n12 ZINC000050247441 624803239 /nfs/dbraw/zinc/80/32/39/624803239.db2.gz STPVWZOCDREZBW-SNVBAGLBSA-N 2 2 278.381 0.845 20 0 CCADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)N2CCc3sccc3C2)C1 ZINC000050247613 624804080 /nfs/dbraw/zinc/80/40/80/624804080.db2.gz FNVMABNVNGUQAR-NSHDSACASA-N 2 2 279.409 0.913 20 0 CCADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)N2CCc3sccc3C2)C1 ZINC000050247613 624804081 /nfs/dbraw/zinc/80/40/81/624804081.db2.gz FNVMABNVNGUQAR-NSHDSACASA-N 2 2 279.409 0.913 20 0 CCADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCCCCn1cc[nH+]c1 ZINC000891399464 624856937 /nfs/dbraw/zinc/85/69/37/624856937.db2.gz MYWQGBUMUVFZIA-RYUDHWBXSA-N 2 2 265.361 0.794 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N[C@H]1C[C@@H]([NH2+]CCF)C1 ZINC001022275689 624907674 /nfs/dbraw/zinc/90/76/74/624907674.db2.gz QPZJQUDXJDNCHS-TXEJJXNPSA-N 2 2 281.331 0.839 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000891971214 625012628 /nfs/dbraw/zinc/01/26/28/625012628.db2.gz NHFRLQTUFCVGGF-JTQLQIEISA-N 2 2 251.334 0.361 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000892030254 625034451 /nfs/dbraw/zinc/03/44/51/625034451.db2.gz FLBHEDNMYLPOLF-ZDUSSCGKSA-N 2 2 273.340 0.919 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](C[C@@H](O)CC(F)(F)F)CCCO1 ZINC000313335893 625770754 /nfs/dbraw/zinc/77/07/54/625770754.db2.gz BWRSMACKOSLUJU-DTWKUNHWSA-N 2 2 256.268 0.349 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](C[C@@H](O)CC(F)(F)F)CCCO1 ZINC000313335893 625770764 /nfs/dbraw/zinc/77/07/64/625770764.db2.gz BWRSMACKOSLUJU-DTWKUNHWSA-N 2 2 256.268 0.349 20 0 CCADLP C[C@H](O)C[N@H+](C)[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001027388612 625865468 /nfs/dbraw/zinc/86/54/68/625865468.db2.gz RLEUZQXBROSNBB-QWHCGFSZSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@H](O)C[N@@H+](C)[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001027388612 625865469 /nfs/dbraw/zinc/86/54/69/625865469.db2.gz RLEUZQXBROSNBB-QWHCGFSZSA-N 2 2 294.399 0.646 20 0 CCADLP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](C[C@H]2CCC[NH2+]2)CC1 ZINC000903458483 634564484 /nfs/dbraw/zinc/56/44/84/634564484.db2.gz BAOBHVXQJOUICQ-RBSFLKMASA-N 3 2 267.417 0.957 20 0 CCADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903751928 634636622 /nfs/dbraw/zinc/63/66/22/634636622.db2.gz JLIKLCSOUVOEJT-AVGNSLFASA-N 3 2 253.390 0.567 20 0 CCADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903751928 634636627 /nfs/dbraw/zinc/63/66/27/634636627.db2.gz JLIKLCSOUVOEJT-AVGNSLFASA-N 3 2 253.390 0.567 20 0 CCADLP C[C@H]1CC[N@H+](Cc2[nH]nc3c2COCC3)C[C@H]1C[NH3+] ZINC000903759958 634640031 /nfs/dbraw/zinc/64/00/31/634640031.db2.gz CKPJTTSNEJLCHI-WDEREUQCSA-N 2 2 264.373 0.899 20 0 CCADLP C[C@H]1CC[N@@H+](Cc2[nH]nc3c2COCC3)C[C@H]1C[NH3+] ZINC000903759958 634640039 /nfs/dbraw/zinc/64/00/39/634640039.db2.gz CKPJTTSNEJLCHI-WDEREUQCSA-N 2 2 264.373 0.899 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2C[C@H](O)COC1CCOCC1 ZINC000903805136 634656772 /nfs/dbraw/zinc/65/67/72/634656772.db2.gz MFMGEHCHAJWPPS-OFQRWUPVSA-N 2 2 298.427 0.746 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2C[C@H](O)COC1CCOCC1 ZINC000903805136 634656778 /nfs/dbraw/zinc/65/67/78/634656778.db2.gz MFMGEHCHAJWPPS-OFQRWUPVSA-N 2 2 298.427 0.746 20 0 CCADLP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2[C@H]1CCN(C2CCOCC2)C1=O ZINC000903856499 634668064 /nfs/dbraw/zinc/66/80/64/634668064.db2.gz RGPVAPZNJCOADP-DUVNUKRYSA-N 2 2 293.411 0.580 20 0 CCADLP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2[C@H]1CCN(C2CCOCC2)C1=O ZINC000903856499 634668071 /nfs/dbraw/zinc/66/80/71/634668071.db2.gz RGPVAPZNJCOADP-DUVNUKRYSA-N 2 2 293.411 0.580 20 0 CCADLP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000903859852 634670370 /nfs/dbraw/zinc/67/03/70/634670370.db2.gz PCTNWQZDSYOKET-OUCADQQQSA-N 3 2 251.374 0.321 20 0 CCADLP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000903859852 634670381 /nfs/dbraw/zinc/67/03/81/634670381.db2.gz PCTNWQZDSYOKET-OUCADQQQSA-N 3 2 251.374 0.321 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@H+](C)CC(=O)NC2CC2)cnn1C ZINC000903877621 634674830 /nfs/dbraw/zinc/67/48/30/634674830.db2.gz ODLCUBGGWNETDW-GFCCVEGCSA-N 2 2 293.415 0.056 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)CC(=O)NC2CC2)cnn1C ZINC000903877621 634674838 /nfs/dbraw/zinc/67/48/38/634674838.db2.gz ODLCUBGGWNETDW-GFCCVEGCSA-N 2 2 293.415 0.056 20 0 CCADLP C[C@@H]1CC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000903929981 634690735 /nfs/dbraw/zinc/69/07/35/634690735.db2.gz PCSDQMKCGRCWED-MCIONIFRSA-N 3 2 292.431 0.619 20 0 CCADLP C[C@@H]1CC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C[C@H]1C[NH3+] ZINC000903929981 634690739 /nfs/dbraw/zinc/69/07/39/634690739.db2.gz PCSDQMKCGRCWED-MCIONIFRSA-N 3 2 292.431 0.619 20 0 CCADLP Cn1ccnc1CN1CC[NH+](C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904317970 634727697 /nfs/dbraw/zinc/72/76/97/634727697.db2.gz KYPCMKYPPYRLTK-MRXNPFEDSA-N 2 2 291.443 0.927 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)NCc2ccco2)CC1 ZINC000905005281 634777328 /nfs/dbraw/zinc/77/73/28/634777328.db2.gz YSKUIQPWZFXGDC-UHFFFAOYSA-N 2 2 266.345 0.502 20 0 CCADLP O[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1(O)CCCC1 ZINC000905076340 634797277 /nfs/dbraw/zinc/79/72/77/634797277.db2.gz OSAJVMKHEUSCTG-MGPQQGTHSA-N 2 2 284.400 0.105 20 0 CCADLP O[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1(O)CCCC1 ZINC000905076340 634797283 /nfs/dbraw/zinc/79/72/83/634797283.db2.gz OSAJVMKHEUSCTG-MGPQQGTHSA-N 2 2 284.400 0.105 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]([N@H+](C)CCO)C1 ZINC001027612015 630801188 /nfs/dbraw/zinc/80/11/88/630801188.db2.gz ZYJCTKMDCJWJCX-JSGCOSHPSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]([N@@H+](C)CCO)C1 ZINC001027612015 630801189 /nfs/dbraw/zinc/80/11/89/630801189.db2.gz ZYJCTKMDCJWJCX-JSGCOSHPSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]([N@H+](C)CCO)C1 ZINC001027612015 630801193 /nfs/dbraw/zinc/80/11/93/630801193.db2.gz ZYJCTKMDCJWJCX-JSGCOSHPSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]([N@@H+](C)CCO)C1 ZINC001027612015 630801197 /nfs/dbraw/zinc/80/11/97/630801197.db2.gz ZYJCTKMDCJWJCX-JSGCOSHPSA-N 2 2 294.399 0.503 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCC3(C[C@H]2F)OCCO3)C1 ZINC000893606152 631024425 /nfs/dbraw/zinc/02/44/25/631024425.db2.gz NOPYWCJABGZBMW-AGIUHOORSA-N 2 2 288.363 0.276 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCC3(C[C@H]2F)OCCO3)C1 ZINC000893606152 631024432 /nfs/dbraw/zinc/02/44/32/631024432.db2.gz NOPYWCJABGZBMW-AGIUHOORSA-N 2 2 288.363 0.276 20 0 CCADLP C[C@H]([NH2+]C[C@H](O)c1ccnn1C)[C@H]1CCCC[NH2+]1 ZINC000925891744 631436883 /nfs/dbraw/zinc/43/68/83/631436883.db2.gz XHLLPKDJQDTSLC-LOWVWBTDSA-N 2 2 252.362 0.574 20 0 CCADLP Cc1cc(N)nc(N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)[nH+]1 ZINC000894232056 631614398 /nfs/dbraw/zinc/61/43/98/631614398.db2.gz BEVJHGXXJVAQRQ-WDEREUQCSA-N 2 2 265.361 0.259 20 0 CCADLP Cc1cc(N)nc(N2C[C@H](C)[N@H+](CCO)C[C@H]2C)[nH+]1 ZINC000894232056 631614406 /nfs/dbraw/zinc/61/44/06/631614406.db2.gz BEVJHGXXJVAQRQ-WDEREUQCSA-N 2 2 265.361 0.259 20 0 CCADLP Cc1ncoc1C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000894239872 631620034 /nfs/dbraw/zinc/62/00/34/631620034.db2.gz NOJHUEHHWTXPQD-UHFFFAOYSA-N 2 2 266.345 0.237 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[N@@H+](CCF)CC[C@@H]1C ZINC000968654920 650025200 /nfs/dbraw/zinc/02/52/00/650025200.db2.gz IDTLKHCTYAKYML-AAEUAGOBSA-N 2 2 282.363 0.988 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[N@H+](CCF)CC[C@@H]1C ZINC000968654920 650025201 /nfs/dbraw/zinc/02/52/01/650025201.db2.gz IDTLKHCTYAKYML-AAEUAGOBSA-N 2 2 282.363 0.988 20 0 CCADLP C[C@@H]1[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1C ZINC000928430789 631812241 /nfs/dbraw/zinc/81/22/41/631812241.db2.gz JQAWMJIJURWPKI-IJLUTSLNSA-N 2 2 262.357 0.654 20 0 CCADLP C[C@@H]1[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[N@H+]1C ZINC000928430789 631812243 /nfs/dbraw/zinc/81/22/43/631812243.db2.gz JQAWMJIJURWPKI-IJLUTSLNSA-N 2 2 262.357 0.654 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@@H]([NH2+]CCF)C1 ZINC000968976448 650035172 /nfs/dbraw/zinc/03/51/72/650035172.db2.gz HBSKZTCEYBUFTG-GMTAPVOTSA-N 2 2 266.320 0.673 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889755877 631902149 /nfs/dbraw/zinc/90/21/49/631902149.db2.gz JLOCJEOTNYNLNF-KGLIPLIRSA-N 2 2 292.383 0.020 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889755877 631902155 /nfs/dbraw/zinc/90/21/55/631902155.db2.gz JLOCJEOTNYNLNF-KGLIPLIRSA-N 2 2 292.383 0.020 20 0 CCADLP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000985750453 632635119 /nfs/dbraw/zinc/63/51/19/632635119.db2.gz FURWYUKBQPMPNU-GFCCVEGCSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000985750453 632635124 /nfs/dbraw/zinc/63/51/24/632635124.db2.gz FURWYUKBQPMPNU-GFCCVEGCSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@H]1[C@H]([NH2+]CCF)CCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000986466834 632758684 /nfs/dbraw/zinc/75/86/84/632758684.db2.gz MDNABZXQFYOENK-CMPLNLGQSA-N 2 2 298.362 0.898 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@@H]1C ZINC000986627371 632783663 /nfs/dbraw/zinc/78/36/63/632783663.db2.gz GNKGXBBRIOXHAT-VXGBXAGGSA-N 2 2 250.346 0.872 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CC2CC2)CN1C(=O)Cc1c[nH+]cn1C ZINC000989677878 633343970 /nfs/dbraw/zinc/34/39/70/633343970.db2.gz AMFYBVNIZOLUDG-WCQYABFASA-N 2 2 276.384 0.952 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]([NH2+]CCF)C[C@H]1C ZINC000989724530 633348350 /nfs/dbraw/zinc/34/83/50/633348350.db2.gz AGNLBHJSHNCSEZ-KOLCDFICSA-N 2 2 268.336 0.809 20 0 CCADLP CC(C)[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC000990111155 633448306 /nfs/dbraw/zinc/44/83/06/633448306.db2.gz ZJWYDONCTVTWPL-SQWLQELKSA-N 2 2 295.427 0.839 20 0 CCADLP CC(C)[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC000990111155 633448309 /nfs/dbraw/zinc/44/83/09/633448309.db2.gz ZJWYDONCTVTWPL-SQWLQELKSA-N 2 2 295.427 0.839 20 0 CCADLP CC(C)[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC000990111155 633448311 /nfs/dbraw/zinc/44/83/11/633448311.db2.gz ZJWYDONCTVTWPL-SQWLQELKSA-N 2 2 295.427 0.839 20 0 CCADLP CC(C)[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC000990111155 633448314 /nfs/dbraw/zinc/44/83/14/633448314.db2.gz ZJWYDONCTVTWPL-SQWLQELKSA-N 2 2 295.427 0.839 20 0 CCADLP CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC000990122319 633449525 /nfs/dbraw/zinc/44/95/25/633449525.db2.gz WQJGHHUGXITDDP-GZBFAFLISA-N 2 2 281.400 0.450 20 0 CCADLP CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC000990122319 633449526 /nfs/dbraw/zinc/44/95/26/633449526.db2.gz WQJGHHUGXITDDP-GZBFAFLISA-N 2 2 281.400 0.450 20 0 CCADLP CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC000990122319 633449528 /nfs/dbraw/zinc/44/95/28/633449528.db2.gz WQJGHHUGXITDDP-GZBFAFLISA-N 2 2 281.400 0.450 20 0 CCADLP CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC000990122319 633449532 /nfs/dbraw/zinc/44/95/32/633449532.db2.gz WQJGHHUGXITDDP-GZBFAFLISA-N 2 2 281.400 0.450 20 0 CCADLP O=C(N[C@@H]1CCn2c[nH+]cc21)C1C[NH+](C2CCOCC2)C1 ZINC000898811433 633671126 /nfs/dbraw/zinc/67/11/26/633671126.db2.gz TVCJUKNSUXMVEI-CYBMUJFWSA-N 2 2 290.367 0.555 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000899242049 633766012 /nfs/dbraw/zinc/76/60/12/633766012.db2.gz QYRCXQDGGIQTFA-XQQFMLRXSA-N 2 2 279.388 0.898 20 0 CCADLP Cc1cccc(NCC[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)n1 ZINC000905608607 634879367 /nfs/dbraw/zinc/87/93/67/634879367.db2.gz KKYSCGKLZSBRHR-CQSZACIVSA-N 2 2 278.400 0.847 20 0 CCADLP Cc1cccc(NCC[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)n1 ZINC000905608607 634879370 /nfs/dbraw/zinc/87/93/70/634879370.db2.gz KKYSCGKLZSBRHR-CQSZACIVSA-N 2 2 278.400 0.847 20 0 CCADLP [NH3+]C1CCC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000911724149 636351871 /nfs/dbraw/zinc/35/18/71/636351871.db2.gz ADRXFGSRDKZLSF-UNXYVOJBSA-N 2 2 262.357 0.832 20 0 CCADLP [NH3+]CCc1ccc(CNC(=O)C[C@H]([NH3+])C(F)F)cc1 ZINC000911734828 636360141 /nfs/dbraw/zinc/36/01/41/636360141.db2.gz PIRHXZGROUASBA-NSHDSACASA-N 2 2 271.311 0.787 20 0 CCADLP [NH3+]CCOc1cccc(NC(=O)C[C@@H]([NH3+])C(F)F)c1 ZINC000911761025 636380595 /nfs/dbraw/zinc/38/05/95/636380595.db2.gz IOUUCEIXMJAFPF-SNVBAGLBSA-N 2 2 273.283 0.945 20 0 CCADLP [NH3+][C@@H](CC(=O)N1CCC([NH2+]CC2CC2)CC1)C(F)F ZINC000911839852 636417959 /nfs/dbraw/zinc/41/79/59/636417959.db2.gz CTEVGZJEERZTSO-NSHDSACASA-N 2 2 275.343 0.960 20 0 CCADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)C12CCC[NH+](CCC1)C2 ZINC000912611320 636619872 /nfs/dbraw/zinc/61/98/72/636619872.db2.gz BXSQMVOJJLKKMB-LBPRGKRZSA-N 2 2 292.383 0.446 20 0 CCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912907055 636695671 /nfs/dbraw/zinc/69/56/71/636695671.db2.gz KZTHGVJZRRIJTO-OCCSQVGLSA-N 2 2 274.368 0.752 20 0 CCADLP C[N@@H+]1CCC[C@@H]2C[NH+](CN3CCOC3=S)CC[C@@H]21 ZINC000164783109 636882557 /nfs/dbraw/zinc/88/25/57/636882557.db2.gz RWBRTFFSFJLVDO-NEPJUHHUSA-N 2 2 269.414 0.977 20 0 CCADLP C[N@H+]1CCC[C@@H]2C[NH+](CN3CCOC3=S)CC[C@@H]21 ZINC000164783109 636882562 /nfs/dbraw/zinc/88/25/62/636882562.db2.gz RWBRTFFSFJLVDO-NEPJUHHUSA-N 2 2 269.414 0.977 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@H+](CN3CCOC3=S)CC[C@@H]21 ZINC000164783109 636882564 /nfs/dbraw/zinc/88/25/64/636882564.db2.gz RWBRTFFSFJLVDO-NEPJUHHUSA-N 2 2 269.414 0.977 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@@H+](CN3CCOC3=S)CC[C@@H]21 ZINC000164783109 636882567 /nfs/dbraw/zinc/88/25/67/636882567.db2.gz RWBRTFFSFJLVDO-NEPJUHHUSA-N 2 2 269.414 0.977 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@]12CCC[C@H]1[N@H+](CCF)CC2 ZINC000992535394 637466699 /nfs/dbraw/zinc/46/66/99/637466699.db2.gz PMRVXYNYISGQTI-TZMCWYRMSA-N 2 2 280.347 0.966 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@]12CCC[C@H]1[N@@H+](CCF)CC2 ZINC000992535394 637466704 /nfs/dbraw/zinc/46/67/04/637466704.db2.gz PMRVXYNYISGQTI-TZMCWYRMSA-N 2 2 280.347 0.966 20 0 CCADLP C[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+]1CCOCC1 ZINC000914067428 637499920 /nfs/dbraw/zinc/49/99/20/637499920.db2.gz ROHWTOKIBBZQKA-YNEHKIRRSA-N 2 2 284.404 0.099 20 0 CCADLP CC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000994502840 637953217 /nfs/dbraw/zinc/95/32/17/637953217.db2.gz DAJUCMUMWVGJFI-RYUDHWBXSA-N 2 2 250.346 0.872 20 0 CCADLP CC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000994502840 637953221 /nfs/dbraw/zinc/95/32/21/637953221.db2.gz DAJUCMUMWVGJFI-RYUDHWBXSA-N 2 2 250.346 0.872 20 0 CCADLP CC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000995151376 638534862 /nfs/dbraw/zinc/53/48/62/638534862.db2.gz HRIXLNYABRLCLC-MNOVXSKESA-N 2 2 250.346 0.847 20 0 CCADLP C[C@@H]1C[N@H+](CCCO)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945809904 638795606 /nfs/dbraw/zinc/79/56/06/638795606.db2.gz WBKGAUGOXZUITB-CHWSQXEVSA-N 2 2 280.372 0.092 20 0 CCADLP C[C@@H]1C[N@@H+](CCCO)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000945809904 638795610 /nfs/dbraw/zinc/79/56/10/638795610.db2.gz WBKGAUGOXZUITB-CHWSQXEVSA-N 2 2 280.372 0.092 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC1(C)C ZINC000995742287 638800125 /nfs/dbraw/zinc/80/01/25/638800125.db2.gz CAANXFNOCMSROT-RYUDHWBXSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1CN(C(=O)CCn2cc[nH+]c2)CC1(C)C ZINC000996106625 638809461 /nfs/dbraw/zinc/80/94/61/638809461.db2.gz ONQCVKRPIIYCNT-OLZOCXBDSA-N 2 2 294.399 0.481 20 0 CCADLP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC1(C)C ZINC000996711856 638829775 /nfs/dbraw/zinc/82/97/75/638829775.db2.gz CGCHAEYYGXSACT-NWDGAFQWSA-N 2 2 280.372 0.091 20 0 CCADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC([NH2+]CCO)CC1 ZINC000996728719 638830308 /nfs/dbraw/zinc/83/03/08/638830308.db2.gz KREINZXVZYMONI-UHFFFAOYSA-N 2 2 288.351 0.749 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCC([NH2+]CCF)CC1 ZINC000996861328 638835025 /nfs/dbraw/zinc/83/50/25/638835025.db2.gz UQPVJSLQAYKIND-UHFFFAOYSA-N 2 2 268.336 0.823 20 0 CCADLP C[C@H](O)C[NH2+]C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000997182241 638858004 /nfs/dbraw/zinc/85/80/04/638858004.db2.gz HHZPDFIQOIPVEJ-NSHDSACASA-N 2 2 294.399 0.649 20 0 CCADLP CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC([NH2+]CCO)C1 ZINC000999007925 638954215 /nfs/dbraw/zinc/95/42/15/638954215.db2.gz UDOLMNOGKQHEOF-LKSINWNRSA-N 2 2 292.383 0.017 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CCC[C@H]([NH2+]CCF)C1 ZINC000999038076 638955473 /nfs/dbraw/zinc/95/54/73/638955473.db2.gz DFLNTUNMSYJTCD-NSHDSACASA-N 2 2 268.336 0.892 20 0 CCADLP CC[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001000692481 639152268 /nfs/dbraw/zinc/15/22/68/639152268.db2.gz CYVFPLLDQNVHFY-NSHDSACASA-N 2 2 250.346 0.563 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001016260428 639313385 /nfs/dbraw/zinc/31/33/85/639313385.db2.gz QFTCIOZHKWDIHO-OAHLLOKOSA-N 2 2 299.378 0.977 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001016260428 639313389 /nfs/dbraw/zinc/31/33/89/639313389.db2.gz QFTCIOZHKWDIHO-OAHLLOKOSA-N 2 2 299.378 0.977 20 0 CCADLP O=C(N[C@H]1CC[N@@H+](CCCF)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001014996563 650513204 /nfs/dbraw/zinc/51/32/04/650513204.db2.gz POLABLPPMZNECI-OLZOCXBDSA-N 2 2 294.374 0.996 20 0 CCADLP O=C(N[C@H]1CC[N@H+](CCCF)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001014996563 650513205 /nfs/dbraw/zinc/51/32/05/650513205.db2.gz POLABLPPMZNECI-OLZOCXBDSA-N 2 2 294.374 0.996 20 0 CCADLP O=C(N[C@H]1CC[N@@H+](CCCO)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001015017135 650515739 /nfs/dbraw/zinc/51/57/39/650515739.db2.gz ZZVOXRFSVGCSTC-STQMWFEESA-N 2 2 292.383 0.018 20 0 CCADLP O=C(N[C@H]1CC[N@H+](CCCO)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001015017135 650515741 /nfs/dbraw/zinc/51/57/41/650515741.db2.gz ZZVOXRFSVGCSTC-STQMWFEESA-N 2 2 292.383 0.018 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](CCF)C1 ZINC001015292302 650551659 /nfs/dbraw/zinc/55/16/59/650551659.db2.gz BNBXWMIQUDFSOZ-NSHDSACASA-N 2 2 254.309 0.352 20 0 CCADLP Cc1cc(NC(=O)C[N@H+](C)C[C@H]2CC3(C[NH2+]C3)CO2)no1 ZINC000923300990 640076275 /nfs/dbraw/zinc/07/62/75/640076275.db2.gz DZDMPHRPRHHHOO-LLVKDONJSA-N 2 2 294.355 0.232 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+](C)C[C@H]2CC3(C[NH2+]C3)CO2)no1 ZINC000923300990 640076285 /nfs/dbraw/zinc/07/62/85/640076285.db2.gz DZDMPHRPRHHHOO-LLVKDONJSA-N 2 2 294.355 0.232 20 0 CCADLP Cc1[nH+]c2n(c1C)CCN([C@H]1C[C@H]([NH3+])C[C@@H]1O)C2 ZINC000923324285 640085771 /nfs/dbraw/zinc/08/57/71/640085771.db2.gz RWYVZYDVKRJYBA-SRVKXCTJSA-N 2 2 250.346 0.166 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](CCF)C1 ZINC001015292302 650551657 /nfs/dbraw/zinc/55/16/57/650551657.db2.gz BNBXWMIQUDFSOZ-NSHDSACASA-N 2 2 254.309 0.352 20 0 CCADLP C[N@@H+]1CC[C@@H]2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)[C@@H]2C1 ZINC000923432364 640136634 /nfs/dbraw/zinc/13/66/34/640136634.db2.gz LLSWHIGDGALMMV-HZSPNIEDSA-N 3 2 265.401 0.391 20 0 CCADLP C[N@H+]1CC[C@@H]2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)[C@@H]2C1 ZINC000923432364 640136640 /nfs/dbraw/zinc/13/66/40/640136640.db2.gz LLSWHIGDGALMMV-HZSPNIEDSA-N 3 2 265.401 0.391 20 0 CCADLP C[NH+]1CC[C@@H]2CC[N@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)[C@@H]2C1 ZINC000923432364 640136647 /nfs/dbraw/zinc/13/66/47/640136647.db2.gz LLSWHIGDGALMMV-HZSPNIEDSA-N 3 2 265.401 0.391 20 0 CCADLP C[NH+]1CC[C@@H]2CC[N@@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)[C@@H]2C1 ZINC000923432364 640136651 /nfs/dbraw/zinc/13/66/51/640136651.db2.gz LLSWHIGDGALMMV-HZSPNIEDSA-N 3 2 265.401 0.391 20 0 CCADLP [NH3+][C@@]1(CO)CCC[N@H+](C[C@@H](O)CCc2ccccc2)C1 ZINC000923470547 640151180 /nfs/dbraw/zinc/15/11/80/640151180.db2.gz HJKKKOSGZIPJFO-HOTGVXAUSA-N 2 2 278.396 0.766 20 0 CCADLP [NH3+][C@@]1(CO)CCC[N@@H+](C[C@@H](O)CCc2ccccc2)C1 ZINC000923470547 640151181 /nfs/dbraw/zinc/15/11/81/640151181.db2.gz HJKKKOSGZIPJFO-HOTGVXAUSA-N 2 2 278.396 0.766 20 0 CCADLP C[C@H]1C[N@H+](Cc2cc(=O)n3[nH]ccc3n2)CC[C@@H]1C[NH3+] ZINC000923500325 640171028 /nfs/dbraw/zinc/17/10/28/640171028.db2.gz WSCDCJBTTXDPIM-WDEREUQCSA-N 2 2 275.356 0.439 20 0 CCADLP C[C@H]1C[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)CC[C@@H]1C[NH3+] ZINC000923500325 640171033 /nfs/dbraw/zinc/17/10/33/640171033.db2.gz WSCDCJBTTXDPIM-WDEREUQCSA-N 2 2 275.356 0.439 20 0 CCADLP O[C@H](Cn1cccn1)C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923536146 640180642 /nfs/dbraw/zinc/18/06/42/640180642.db2.gz MXYIMHUOLYOULV-UONOGXRCSA-N 2 2 264.373 0.462 20 0 CCADLP O[C@H](Cn1cccn1)C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923536146 640180647 /nfs/dbraw/zinc/18/06/47/640180647.db2.gz MXYIMHUOLYOULV-UONOGXRCSA-N 2 2 264.373 0.462 20 0 CCADLP Cc1cccc(NCCNC(=O)Cc2c[nH+]cn2C)[nH+]1 ZINC000806885952 640805004 /nfs/dbraw/zinc/80/50/04/640805004.db2.gz LIKSNYLHOVQGLC-UHFFFAOYSA-N 2 2 273.340 0.894 20 0 CCADLP Cc1ccncc1CCC[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000809610894 640901554 /nfs/dbraw/zinc/90/15/54/640901554.db2.gz IWCYUTRQIIJHLF-UHFFFAOYSA-N 2 2 290.411 0.686 20 0 CCADLP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CC[N@H+](CCF)C2)cn1 ZINC001015826850 650635687 /nfs/dbraw/zinc/63/56/87/650635687.db2.gz KHROSUDCMVFQTL-CYBMUJFWSA-N 2 2 297.378 0.218 20 0 CCADLP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CCF)C2)cn1 ZINC001015826850 650635689 /nfs/dbraw/zinc/63/56/89/650635689.db2.gz KHROSUDCMVFQTL-CYBMUJFWSA-N 2 2 297.378 0.218 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)N(C)C[C@@H]2CCC[NH+]2C)CCO1 ZINC000817776034 641273635 /nfs/dbraw/zinc/27/36/35/641273635.db2.gz ZVEAVQQQJKAGTC-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)N(C)C[C@@H]2CCC[NH+]2C)CCO1 ZINC000817776034 641273647 /nfs/dbraw/zinc/27/36/47/641273647.db2.gz ZVEAVQQQJKAGTC-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CCO1 ZINC000817776034 641273654 /nfs/dbraw/zinc/27/36/54/641273654.db2.gz ZVEAVQQQJKAGTC-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)N(C)C[C@@H]2CCC[N@H+]2C)CCO1 ZINC000817776034 641273661 /nfs/dbraw/zinc/27/36/61/641273661.db2.gz ZVEAVQQQJKAGTC-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP c1cncc(OCC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000817894472 641277083 /nfs/dbraw/zinc/27/70/83/641277083.db2.gz ZRMZYPRNGXJDPM-CABCVRRESA-N 2 2 277.368 0.817 20 0 CCADLP O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000821134881 641570182 /nfs/dbraw/zinc/57/01/82/641570182.db2.gz LSSHOILQKFLJOU-HUUCEWRRSA-N 2 2 292.427 0.119 20 0 CCADLP O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@H]1CC[N@H+]1C1CCCC1 ZINC000821134881 641570186 /nfs/dbraw/zinc/57/01/86/641570186.db2.gz LSSHOILQKFLJOU-HUUCEWRRSA-N 2 2 292.427 0.119 20 0 CCADLP O=C(C[NH+]1CCCC1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000821271970 641579044 /nfs/dbraw/zinc/57/90/44/641579044.db2.gz QSFMFGQGKYBFBR-ZDUSSCGKSA-N 2 2 274.368 0.872 20 0 CCADLP Cc1cccnc1C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016392261 650724039 /nfs/dbraw/zinc/72/40/39/650724039.db2.gz AGPUOBXXHBIZJU-AWEZNQCLSA-N 2 2 299.378 0.977 20 0 CCADLP Cc1cccnc1C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016392261 650724040 /nfs/dbraw/zinc/72/40/40/650724040.db2.gz AGPUOBXXHBIZJU-AWEZNQCLSA-N 2 2 299.378 0.977 20 0 CCADLP CC[C@@H](C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1)OC ZINC001016398865 650725440 /nfs/dbraw/zinc/72/54/40/650725440.db2.gz ZGWOKTNMNBXKEW-OLZOCXBDSA-N 2 2 280.372 0.499 20 0 CCADLP CC[C@@H](C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1)OC ZINC001016398865 650725443 /nfs/dbraw/zinc/72/54/43/650725443.db2.gz ZGWOKTNMNBXKEW-OLZOCXBDSA-N 2 2 280.372 0.499 20 0 CCADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)NCc1ccccn1 ZINC000844224022 643186331 /nfs/dbraw/zinc/18/63/31/643186331.db2.gz LKJMCCXLVVWHAT-AWEZNQCLSA-N 2 2 276.384 0.901 20 0 CCADLP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)NCc1ccccn1 ZINC000844224022 643186336 /nfs/dbraw/zinc/18/63/36/643186336.db2.gz LKJMCCXLVVWHAT-AWEZNQCLSA-N 2 2 276.384 0.901 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000846515577 643415031 /nfs/dbraw/zinc/41/50/31/643415031.db2.gz NEXRIZAHGWGBQT-CQSZACIVSA-N 2 2 292.383 0.249 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000846515577 643415033 /nfs/dbraw/zinc/41/50/33/643415033.db2.gz NEXRIZAHGWGBQT-CQSZACIVSA-N 2 2 292.383 0.249 20 0 CCADLP Cn1ncc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)n1 ZINC000857085724 644461801 /nfs/dbraw/zinc/46/18/01/644461801.db2.gz GTWKXHVXKCSRQZ-TZMCWYRMSA-N 2 2 279.388 0.533 20 0 CCADLP CCC[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001019181369 650944786 /nfs/dbraw/zinc/94/47/86/650944786.db2.gz DPIBCQMBGTXKCR-LBPRGKRZSA-N 2 2 264.373 0.953 20 0 CCADLP C[C@H]([NH3+])CN(C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000861547137 644890773 /nfs/dbraw/zinc/89/07/73/644890773.db2.gz CMUKCFRQJNQSCW-NSHDSACASA-N 2 2 272.393 0.086 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)[NH2+]C(c1ccnn1C)c1ccnn1C ZINC000863548353 645105523 /nfs/dbraw/zinc/10/55/23/645105523.db2.gz OSZAXNURKUPRDW-QWRGUYRKSA-N 2 2 276.388 0.958 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001019656541 650996196 /nfs/dbraw/zinc/99/61/96/650996196.db2.gz LSXFASHZJXCPRP-MNOVXSKESA-N 2 2 280.372 0.259 20 0 CCADLP O=C(/C=C\C[NH+]1CCOCC1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000864962302 645308838 /nfs/dbraw/zinc/30/88/38/645308838.db2.gz JVGYQZSIRPNDTN-BOPNBLERSA-N 2 2 293.411 0.475 20 0 CCADLP O=C(/C=C\C[NH+]1CCOCC1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000864962302 645308844 /nfs/dbraw/zinc/30/88/44/645308844.db2.gz JVGYQZSIRPNDTN-BOPNBLERSA-N 2 2 293.411 0.475 20 0 CCADLP O=C(/C=C\C[NH+]1CCOCC1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000864962303 645309395 /nfs/dbraw/zinc/30/93/95/645309395.db2.gz JVGYQZSIRPNDTN-DDGIKZQJSA-N 2 2 293.411 0.475 20 0 CCADLP O=C(/C=C\C[NH+]1CCOCC1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000864962303 645309402 /nfs/dbraw/zinc/30/94/02/645309402.db2.gz JVGYQZSIRPNDTN-DDGIKZQJSA-N 2 2 293.411 0.475 20 0 CCADLP Cc1cc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)no1 ZINC000866709290 645579105 /nfs/dbraw/zinc/57/91/05/645579105.db2.gz RFVNBPHRHVSDLO-UPJWGTAASA-N 2 2 292.339 0.350 20 0 CCADLP Cc1cc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)no1 ZINC000866709290 645579113 /nfs/dbraw/zinc/57/91/13/645579113.db2.gz RFVNBPHRHVSDLO-UPJWGTAASA-N 2 2 292.339 0.350 20 0 CCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@@H](C)[NH3+])C2)cc1 ZINC000867997479 645700688 /nfs/dbraw/zinc/70/06/88/645700688.db2.gz FWGWCCXSEXTBST-UKRRQHHQSA-N 2 2 291.395 0.659 20 0 CCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@@H](C)[NH3+])C2)cc1 ZINC000867997479 645700693 /nfs/dbraw/zinc/70/06/93/645700693.db2.gz FWGWCCXSEXTBST-UKRRQHHQSA-N 2 2 291.395 0.659 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC[N@@H+](C2CCC2)C1 ZINC000868528359 645781480 /nfs/dbraw/zinc/78/14/80/645781480.db2.gz CPJWZNLFJKCZDZ-SMDDNHRTSA-N 2 2 292.383 0.776 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CC[N@H+](C2CCC2)C1 ZINC000868528359 645781486 /nfs/dbraw/zinc/78/14/86/645781486.db2.gz CPJWZNLFJKCZDZ-SMDDNHRTSA-N 2 2 292.383 0.776 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccnn1C ZINC000873276800 646368626 /nfs/dbraw/zinc/36/86/26/646368626.db2.gz XAWJTUDWYIHJLS-WOPDTQHZSA-N 2 2 252.362 0.838 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H](C)c1ccnn1C ZINC000873276794 646368877 /nfs/dbraw/zinc/36/88/77/646368877.db2.gz XAWJTUDWYIHJLS-GRYCIOLGSA-N 2 2 252.362 0.838 20 0 CCADLP [NH3+]CC12CCC(CC1)N2C(=O)NCCn1cc[nH+]c1 ZINC000874433149 646464407 /nfs/dbraw/zinc/46/44/07/646464407.db2.gz GLDWISOYEXBFRJ-UHFFFAOYSA-N 2 2 263.345 0.548 20 0 CCADLP O=C(NCCn1cc[nH+]c1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000874433739 646465138 /nfs/dbraw/zinc/46/51/38/646465138.db2.gz PYWJAVYSZHIEJC-WCQYABFASA-N 2 2 263.345 0.467 20 0 CCADLP C[C@H](NC(=O)/C=C\C[NH+]1CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000876516268 646616966 /nfs/dbraw/zinc/61/69/66/646616966.db2.gz ONQLFEIYIMVGRZ-DWMAKUKJSA-N 2 2 281.400 0.379 20 0 CCADLP C[C@@](C[NH3+])(NC(=O)/C=C\C[NH+]1CCOCC1)C1CC1 ZINC000876530013 646620554 /nfs/dbraw/zinc/62/05/54/646620554.db2.gz NSNOQBKOXVLLRO-SFAKSCPVSA-N 2 2 267.373 0.118 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876830993 646676995 /nfs/dbraw/zinc/67/69/95/646676995.db2.gz BXCNWHVMOFFRCC-UARNIUSMSA-N 2 2 267.373 0.132 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876849806 646680738 /nfs/dbraw/zinc/68/07/38/646680738.db2.gz ZALZFJYGNMTPLH-MIKXMCOASA-N 2 2 281.400 0.378 20 0 CCADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877386328 646808030 /nfs/dbraw/zinc/80/80/30/646808030.db2.gz QCXJVHCJFDWCOY-GBJFIMJBSA-N 2 2 279.384 0.276 20 0 CCADLP Nc1nnc(C2CC[NH+](C[C@H](O)C[NH+]3CCCC3)CC2)o1 ZINC000878815629 646985556 /nfs/dbraw/zinc/98/55/56/646985556.db2.gz HIRKCYQADAWJJY-GFCCVEGCSA-N 2 2 295.387 0.288 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000879993650 647139880 /nfs/dbraw/zinc/13/98/80/647139880.db2.gz ZOAUCDYIQXESBQ-AAEUAGOBSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000879993650 647139882 /nfs/dbraw/zinc/13/98/82/647139882.db2.gz ZOAUCDYIQXESBQ-AAEUAGOBSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@H]1C[N@@H+]([C@H]2CCNC2=O)CCN1c1cc[nH+]cc1 ZINC000880262670 647178350 /nfs/dbraw/zinc/17/83/50/647178350.db2.gz RRWGXIBRXOVBDC-AAEUAGOBSA-N 2 2 260.341 0.481 20 0 CCADLP C[C@H]1C[N@H+]([C@H]2CCNC2=O)CCN1c1cc[nH+]cc1 ZINC000880262670 647178359 /nfs/dbraw/zinc/17/83/59/647178359.db2.gz RRWGXIBRXOVBDC-AAEUAGOBSA-N 2 2 260.341 0.481 20 0 CCADLP C[C@H](CCO)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883370365 647517880 /nfs/dbraw/zinc/51/78/80/647517880.db2.gz KKOUFNBUXYVPQW-HUUCEWRRSA-N 2 2 285.432 0.144 20 0 CCADLP NC(=O)COc1ccc(C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000028304681 647543508 /nfs/dbraw/zinc/54/35/08/647543508.db2.gz QMJCYJMYMDPFKX-UHFFFAOYSA-N 2 2 274.324 0.537 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N2CCO[C@@H](C[NH3+])C2)c[nH+]1 ZINC000884252552 647683474 /nfs/dbraw/zinc/68/34/74/647683474.db2.gz NBLSGIIVBKJXQG-NSHDSACASA-N 2 2 266.345 0.113 20 0 CCADLP OC[C@]1(C(F)(F)F)CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000886794809 648014760 /nfs/dbraw/zinc/01/47/60/648014760.db2.gz FCXZSMUNSVZXNR-NEPJUHHUSA-N 2 2 296.333 0.690 20 0 CCADLP OC[C@]1(C(F)(F)F)CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000886794809 648014765 /nfs/dbraw/zinc/01/47/65/648014765.db2.gz FCXZSMUNSVZXNR-NEPJUHHUSA-N 2 2 296.333 0.690 20 0 CCADLP C[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)CN1CC[NH+](C)CC1 ZINC000925490554 648439189 /nfs/dbraw/zinc/43/91/89/648439189.db2.gz OFWIVCRIGXCAAT-KFWWJZLASA-N 3 2 280.460 0.729 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCNC(=O)c1ccco1 ZINC000925520412 648440577 /nfs/dbraw/zinc/44/05/77/648440577.db2.gz VGABDRBZOXFYNN-QWRGUYRKSA-N 2 2 251.330 0.740 20 0 CCADLP OCC[C@H]([NH2+][C@@H]1C[NH2+]CCOC1)C1CCCCC1 ZINC000925616364 648448140 /nfs/dbraw/zinc/44/81/40/648448140.db2.gz RQVAFAWXRVULJP-KGLIPLIRSA-N 2 2 256.390 0.896 20 0 CCADLP CS(=O)(=O)N1CC[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925712865 648455532 /nfs/dbraw/zinc/45/55/32/648455532.db2.gz PZMKWQCZBLWOEP-VXGBXAGGSA-N 2 2 287.429 0.285 20 0 CCADLP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@@H]2C[NH2+]CCOC2)cn1 ZINC000925709748 648455944 /nfs/dbraw/zinc/45/59/44/648455944.db2.gz VNXWFMQEEAXZLB-ZNMIVQPWSA-N 2 2 278.400 0.709 20 0 CCADLP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1cccc(-n2cnnn2)c1 ZINC000925783721 648461511 /nfs/dbraw/zinc/46/15/11/648461511.db2.gz DVLYSNOPNPGAHO-UHIISALHSA-N 2 2 272.356 0.921 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000925831632 648465256 /nfs/dbraw/zinc/46/52/56/648465256.db2.gz KTZCVSWGTOURJW-MNOVXSKESA-N 2 2 262.419 0.645 20 0 CCADLP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000926502898 648507174 /nfs/dbraw/zinc/50/71/74/648507174.db2.gz BABPGICTHRVDEH-MCIONIFRSA-N 2 2 283.416 0.480 20 0 CCADLP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000926502898 648507178 /nfs/dbraw/zinc/50/71/78/648507178.db2.gz BABPGICTHRVDEH-MCIONIFRSA-N 2 2 283.416 0.480 20 0 CCADLP OC[C@@H](O)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000930615260 648881378 /nfs/dbraw/zinc/88/13/78/648881378.db2.gz PDKAUBKZRSBKOB-HNNXBMFYSA-N 2 2 264.369 0.594 20 0 CCADLP C[C@](O)(C[C@H](O)C[N@@H+]1CCc2[nH+]ccc(N)c2C1)C1CC1 ZINC000931516847 648999157 /nfs/dbraw/zinc/99/91/57/648999157.db2.gz PNPDUTGOBIVXQI-LRDDRELGSA-N 2 2 291.395 0.934 20 0 CCADLP C[C@](O)(C[C@H](O)C[N@H+]1CCc2[nH+]ccc(N)c2C1)C1CC1 ZINC000931516847 648999159 /nfs/dbraw/zinc/99/91/59/648999159.db2.gz PNPDUTGOBIVXQI-LRDDRELGSA-N 2 2 291.395 0.934 20 0 CCADLP Cn1cc(CC[N@@H+]2CCc3[nH+]ccc(N)c3C2)nn1 ZINC000931516013 648999652 /nfs/dbraw/zinc/99/96/52/648999652.db2.gz GBCQITFABNOUGD-UHFFFAOYSA-N 2 2 258.329 0.393 20 0 CCADLP Cn1cc(CC[N@H+]2CCc3[nH+]ccc(N)c3C2)nn1 ZINC000931516013 648999657 /nfs/dbraw/zinc/99/96/57/648999657.db2.gz GBCQITFABNOUGD-UHFFFAOYSA-N 2 2 258.329 0.393 20 0 CCADLP Cc1[nH]c(C[N@@H+]2CCNC(=O)CC23CCOCC3)c(C)[nH+]1 ZINC000931534967 649001954 /nfs/dbraw/zinc/00/19/54/649001954.db2.gz BCHSTEQYMJBFHN-UHFFFAOYSA-N 2 2 292.383 0.898 20 0 CCADLP Cc1[nH]c(C[N@H+]2CCNC(=O)CC23CCOCC3)c(C)[nH+]1 ZINC000931534967 649001956 /nfs/dbraw/zinc/00/19/56/649001956.db2.gz BCHSTEQYMJBFHN-UHFFFAOYSA-N 2 2 292.383 0.898 20 0 CCADLP Cc1nc(N2CC[NH+](CCCn3cc[nH+]c3)CC2)n[nH]1 ZINC000931626601 649010778 /nfs/dbraw/zinc/01/07/78/649010778.db2.gz GOURUYSOCCVKRD-UHFFFAOYSA-N 2 2 275.360 0.522 20 0 CCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000931720587 649021511 /nfs/dbraw/zinc/02/15/11/649021511.db2.gz ZLNRSDZVUOCHJZ-SBJFKYEJSA-N 2 2 266.385 0.959 20 0 CCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000931720587 649021514 /nfs/dbraw/zinc/02/15/14/649021514.db2.gz ZLNRSDZVUOCHJZ-SBJFKYEJSA-N 2 2 266.385 0.959 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000931720587 649021518 /nfs/dbraw/zinc/02/15/18/649021518.db2.gz ZLNRSDZVUOCHJZ-SBJFKYEJSA-N 2 2 266.385 0.959 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000931720587 649021520 /nfs/dbraw/zinc/02/15/20/649021520.db2.gz ZLNRSDZVUOCHJZ-SBJFKYEJSA-N 2 2 266.385 0.959 20 0 CCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H](O)C1(O)CCCC1 ZINC000931720279 649022185 /nfs/dbraw/zinc/02/21/85/649022185.db2.gz WLUMILAUQJKBSS-BFHYXJOUSA-N 2 2 268.401 0.821 20 0 CCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H](O)C1(O)CCCC1 ZINC000931720279 649022187 /nfs/dbraw/zinc/02/21/87/649022187.db2.gz WLUMILAUQJKBSS-BFHYXJOUSA-N 2 2 268.401 0.821 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H](O)C1(O)CCCC1 ZINC000931720279 649022189 /nfs/dbraw/zinc/02/21/89/649022189.db2.gz WLUMILAUQJKBSS-BFHYXJOUSA-N 2 2 268.401 0.821 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H](O)C1(O)CCCC1 ZINC000931720279 649022190 /nfs/dbraw/zinc/02/21/90/649022190.db2.gz WLUMILAUQJKBSS-BFHYXJOUSA-N 2 2 268.401 0.821 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)C[C@@H]1C ZINC000246291423 649669252 /nfs/dbraw/zinc/66/92/52/649669252.db2.gz NHJVWTPNIVHSPA-ZFWWWQNUSA-N 2 2 291.395 0.866 20 0 CCADLP COCC[N@H+]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)C[C@@H]1C ZINC000246291423 649669253 /nfs/dbraw/zinc/66/92/53/649669253.db2.gz NHJVWTPNIVHSPA-ZFWWWQNUSA-N 2 2 291.395 0.866 20 0 CCADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000091299609 649702270 /nfs/dbraw/zinc/70/22/70/649702270.db2.gz SIUCQAUSLFKFEP-OLZOCXBDSA-N 2 2 294.399 0.793 20 0 CCADLP CN(C)c1cc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)[nH+]cn1 ZINC000503728676 805589545 /nfs/dbraw/zinc/58/95/45/805589545.db2.gz CNEGGNOWEJXUJO-RISCZKNCSA-N 2 2 277.372 0.866 20 0 CCADLP CN(C)c1cc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)nc[nH+]1 ZINC000503728676 805589549 /nfs/dbraw/zinc/58/95/49/805589549.db2.gz CNEGGNOWEJXUJO-RISCZKNCSA-N 2 2 277.372 0.866 20 0 CCADLP CC(=O)N1CC[N@@H+](C[C@@H]2CCC[NH+](C)C2)C[C@@H]1C ZINC001208613932 790432756 /nfs/dbraw/zinc/43/27/56/790432756.db2.gz BXNXHNHOFFOFQI-GXTWGEPZSA-N 2 2 253.390 0.881 20 0 CCADLP CC(=O)N1CC[N@H+](C[C@@H]2CCC[NH+](C)C2)C[C@@H]1C ZINC001208613932 790432761 /nfs/dbraw/zinc/43/27/61/790432761.db2.gz BXNXHNHOFFOFQI-GXTWGEPZSA-N 2 2 253.390 0.881 20 0 CCADLP CC(=O)N1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)C[C@@H]1C ZINC001208613932 790432765 /nfs/dbraw/zinc/43/27/65/790432765.db2.gz BXNXHNHOFFOFQI-GXTWGEPZSA-N 2 2 253.390 0.881 20 0 CCADLP CC(=O)N1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)C[C@@H]1C ZINC001208613932 790432770 /nfs/dbraw/zinc/43/27/70/790432770.db2.gz BXNXHNHOFFOFQI-GXTWGEPZSA-N 2 2 253.390 0.881 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C[C@H]2CCC[NH+](C)C2)CCN1C ZINC001208615025 790434446 /nfs/dbraw/zinc/43/44/46/790434446.db2.gz GVMKGIJCAKJORP-STQMWFEESA-N 2 2 269.389 0.117 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C[C@H]2CCC[NH+](C)C2)CCN1C ZINC001208615025 790434450 /nfs/dbraw/zinc/43/44/50/790434450.db2.gz GVMKGIJCAKJORP-STQMWFEESA-N 2 2 269.389 0.117 20 0 CCADLP COC(=O)[C@@H]1C[NH+](C[C@H]2CCC[N@H+](C)C2)CCN1C ZINC001208615025 790434457 /nfs/dbraw/zinc/43/44/57/790434457.db2.gz GVMKGIJCAKJORP-STQMWFEESA-N 2 2 269.389 0.117 20 0 CCADLP COC(=O)[C@@H]1C[NH+](C[C@H]2CCC[N@@H+](C)C2)CCN1C ZINC001208615025 790434464 /nfs/dbraw/zinc/43/44/64/790434464.db2.gz GVMKGIJCAKJORP-STQMWFEESA-N 2 2 269.389 0.117 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001209846626 790695902 /nfs/dbraw/zinc/69/59/02/790695902.db2.gz VEHBSJVINMHMHY-UTUOFQBUSA-N 2 2 270.373 0.984 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001209846626 790695912 /nfs/dbraw/zinc/69/59/12/790695912.db2.gz VEHBSJVINMHMHY-UTUOFQBUSA-N 2 2 270.373 0.984 20 0 CCADLP CC(C)[C@](C)(Nc1[nH+]cccc1N1CC[NH2+]CC1)C(N)=O ZINC001167408047 791034592 /nfs/dbraw/zinc/03/45/92/791034592.db2.gz ZESHQIQMQKCOGF-HNNXBMFYSA-N 2 2 291.399 0.803 20 0 CCADLP COCC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001266626185 791052052 /nfs/dbraw/zinc/05/20/52/791052052.db2.gz AEBHCQHNNGEBHB-IJLUTSLNSA-N 2 2 280.372 0.472 20 0 CCADLP COCC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001266626185 791052063 /nfs/dbraw/zinc/05/20/63/791052063.db2.gz AEBHCQHNNGEBHB-IJLUTSLNSA-N 2 2 280.372 0.472 20 0 CCADLP COCC[NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001167429313 791064770 /nfs/dbraw/zinc/06/47/70/791064770.db2.gz RKLGOAVCGFOIFI-LBPRGKRZSA-N 2 2 268.361 0.577 20 0 CCADLP COC[C@@H](C)[NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001167429289 791064840 /nfs/dbraw/zinc/06/48/40/791064840.db2.gz QVGUTXFDONFMLR-OLZOCXBDSA-N 2 2 282.388 0.965 20 0 CCADLP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)nc1)C1COC1 ZINC001232367023 805928428 /nfs/dbraw/zinc/92/84/28/805928428.db2.gz YGZVPCPXKUIPDR-UHFFFAOYSA-N 2 2 276.384 0.664 20 0 CCADLP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)nc1)C1COC1 ZINC001232367023 805928433 /nfs/dbraw/zinc/92/84/33/805928433.db2.gz YGZVPCPXKUIPDR-UHFFFAOYSA-N 2 2 276.384 0.664 20 0 CCADLP CCOCC[NH+]1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001277682944 805959681 /nfs/dbraw/zinc/95/96/81/805959681.db2.gz YYKOBLPRUGBFGT-ZDUSSCGKSA-N 2 2 283.416 0.507 20 0 CCADLP CCOCC[NH+]1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001277682944 805959685 /nfs/dbraw/zinc/95/96/85/805959685.db2.gz YYKOBLPRUGBFGT-ZDUSSCGKSA-N 2 2 283.416 0.507 20 0 CCADLP CN(CC[NH2+]CC1CCOCC1)C(=O)CCc1c[nH]c[nH+]1 ZINC001266720674 791183710 /nfs/dbraw/zinc/18/37/10/791183710.db2.gz RWYLZFVIVIHFEK-UHFFFAOYSA-N 2 2 294.399 0.817 20 0 CCADLP CN(CC[NH2+]CC1CCOCC1)C(=O)CCc1c[nH+]c[nH]1 ZINC001266720674 791183713 /nfs/dbraw/zinc/18/37/13/791183713.db2.gz RWYLZFVIVIHFEK-UHFFFAOYSA-N 2 2 294.399 0.817 20 0 CCADLP CCOCC[N@@H+]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001266769818 791225194 /nfs/dbraw/zinc/22/51/94/791225194.db2.gz IUBVJVCWQFALCV-CQSZACIVSA-N 2 2 294.399 0.748 20 0 CCADLP CCOCC[N@H+]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001266769818 791225204 /nfs/dbraw/zinc/22/52/04/791225204.db2.gz IUBVJVCWQFALCV-CQSZACIVSA-N 2 2 294.399 0.748 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000692359857 791406392 /nfs/dbraw/zinc/40/63/92/791406392.db2.gz WOZALGVKDBVPEK-RFGFWPKPSA-N 2 2 274.405 0.458 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000692359857 791406397 /nfs/dbraw/zinc/40/63/97/791406397.db2.gz WOZALGVKDBVPEK-RFGFWPKPSA-N 2 2 274.405 0.458 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]C[C@H]1CCOC1 ZINC001266995368 791429715 /nfs/dbraw/zinc/42/97/15/791429715.db2.gz GUGUEUYQALKREA-VXGBXAGGSA-N 2 2 266.345 0.014 20 0 CCADLP COCCC[NH2+]CC1(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001167529067 791509934 /nfs/dbraw/zinc/50/99/34/791509934.db2.gz XYNYINHXACGEFB-UHFFFAOYSA-N 2 2 294.399 0.865 20 0 CCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)C[C@H]([NH3+])C(F)F ZINC000724714387 791703728 /nfs/dbraw/zinc/70/37/28/791703728.db2.gz AZLJKYMYOQYJMJ-BDAKNGLRSA-N 2 2 251.321 0.815 20 0 CCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)C[C@H]([NH3+])C(F)F ZINC000724714387 791703733 /nfs/dbraw/zinc/70/37/33/791703733.db2.gz AZLJKYMYOQYJMJ-BDAKNGLRSA-N 2 2 251.321 0.815 20 0 CCADLP Cc1[nH]c(CN2CC(N3CC[NH+](C)CC3)C2)c(C)[nH+]1 ZINC001234655021 806294063 /nfs/dbraw/zinc/29/40/63/806294063.db2.gz NKNABAVIUPFWEX-UHFFFAOYSA-N 2 2 263.389 0.458 20 0 CCADLP c1ccc(N2CC[NH2+]CC2)c(C[N@@H+]2CC[C@H]3[NH2+]C[C@H]3C2)c1 ZINC001235026145 806348132 /nfs/dbraw/zinc/34/81/32/806348132.db2.gz KREISRPOSAHNQW-JKSUJKDBSA-N 3 2 286.423 0.890 20 0 CCADLP c1ccc(N2CC[NH2+]CC2)c(C[N@H+]2CC[C@H]3[NH2+]C[C@H]3C2)c1 ZINC001235026145 806348142 /nfs/dbraw/zinc/34/81/42/806348142.db2.gz KREISRPOSAHNQW-JKSUJKDBSA-N 3 2 286.423 0.890 20 0 CCADLP C[C@H](C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1)C(F)(F)F ZINC001235052258 806354126 /nfs/dbraw/zinc/35/41/26/806354126.db2.gz NMPHMCOZXZQZIY-NXEZZACHSA-N 2 2 251.296 0.822 20 0 CCADLP C[C@H](C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1)C(F)(F)F ZINC001235052258 806354136 /nfs/dbraw/zinc/35/41/36/806354136.db2.gz NMPHMCOZXZQZIY-NXEZZACHSA-N 2 2 251.296 0.822 20 0 CCADLP COc1ccc(CC[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235054712 806356828 /nfs/dbraw/zinc/35/68/28/806356828.db2.gz OKWRWOWITFDEMH-INIZCTEOSA-N 2 2 275.396 0.875 20 0 CCADLP COc1ccc(CC[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)cc1 ZINC001235054712 806356837 /nfs/dbraw/zinc/35/68/37/806356837.db2.gz OKWRWOWITFDEMH-INIZCTEOSA-N 2 2 275.396 0.875 20 0 CCADLP CCOC(=O)[C@@]12CCO[C@@H]1CC[N@H+](C[C@@H](C)[NH3+])C2 ZINC001235267407 806398126 /nfs/dbraw/zinc/39/81/26/806398126.db2.gz IAGDAIMWHPZAPI-NQBHXWOUSA-N 2 2 256.346 0.378 20 0 CCADLP CCOC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](C[C@@H](C)[NH3+])C2 ZINC001235267407 806398131 /nfs/dbraw/zinc/39/81/31/806398131.db2.gz IAGDAIMWHPZAPI-NQBHXWOUSA-N 2 2 256.346 0.378 20 0 CCADLP [NH3+]CC[N@@H+]1CC[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001235490860 806432343 /nfs/dbraw/zinc/43/23/43/806432343.db2.gz ZXCBJYMRFUJHIW-CQSZACIVSA-N 2 2 260.341 0.469 20 0 CCADLP [NH3+]CC[N@H+]1CC[C@@]2(CCN(c3cccnc3)C2=O)C1 ZINC001235490860 806432346 /nfs/dbraw/zinc/43/23/46/806432346.db2.gz ZXCBJYMRFUJHIW-CQSZACIVSA-N 2 2 260.341 0.469 20 0 CCADLP [NH3+]CC[N@@H+]1CCC[C@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC001235591914 806466802 /nfs/dbraw/zinc/46/68/02/806466802.db2.gz CSIFNMLMNLDZBQ-INIZCTEOSA-N 2 2 288.395 0.855 20 0 CCADLP [NH3+]CC[N@H+]1CCC[C@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC001235591914 806466809 /nfs/dbraw/zinc/46/68/09/806466809.db2.gz CSIFNMLMNLDZBQ-INIZCTEOSA-N 2 2 288.395 0.855 20 0 CCADLP [NH3+]CC[N@@H+]1CCC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC001235591916 806466962 /nfs/dbraw/zinc/46/69/62/806466962.db2.gz CSIFNMLMNLDZBQ-MRXNPFEDSA-N 2 2 288.395 0.855 20 0 CCADLP [NH3+]CC[N@H+]1CCC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC001235591916 806466971 /nfs/dbraw/zinc/46/69/71/806466971.db2.gz CSIFNMLMNLDZBQ-MRXNPFEDSA-N 2 2 288.395 0.855 20 0 CCADLP OCC[N@@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001235638286 806478665 /nfs/dbraw/zinc/47/86/65/806478665.db2.gz XZDDNVWKMJHOLH-HUUCEWRRSA-N 2 2 268.401 0.802 20 0 CCADLP OCC[N@H+]1C[C@@H]2C[NH+](CC3CCCC3)CCO[C@@H]2C1 ZINC001235638286 806478669 /nfs/dbraw/zinc/47/86/69/806478669.db2.gz XZDDNVWKMJHOLH-HUUCEWRRSA-N 2 2 268.401 0.802 20 0 CCADLP OCC[NH+]1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001235638286 806478674 /nfs/dbraw/zinc/47/86/74/806478674.db2.gz XZDDNVWKMJHOLH-HUUCEWRRSA-N 2 2 268.401 0.802 20 0 CCADLP OCC[NH+]1C[C@@H]2C[N@@H+](CC3CCCC3)CCO[C@@H]2C1 ZINC001235638286 806478679 /nfs/dbraw/zinc/47/86/79/806478679.db2.gz XZDDNVWKMJHOLH-HUUCEWRRSA-N 2 2 268.401 0.802 20 0 CCADLP C[C@@H]([NH3+])CN1CCCC12CC[NH+](CC(=O)N(C)C)CC2 ZINC001235642197 806480290 /nfs/dbraw/zinc/48/02/90/806480290.db2.gz CZRCDXVFAODPNI-CYBMUJFWSA-N 2 2 282.432 0.352 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC(NC(=O)C3CC3)CC2)O1 ZINC001235706600 806496809 /nfs/dbraw/zinc/49/68/09/806496809.db2.gz XJSLMRMBGMYABB-ZDUSSCGKSA-N 2 2 281.400 0.702 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[NH2+]C2)CCN1 ZINC001246089591 807149832 /nfs/dbraw/zinc/14/98/32/807149832.db2.gz GTEJICQQVSVKDZ-SRVKXCTJSA-N 2 2 255.362 0.012 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[NH+]2CC3(C2)CCC[NH2+]CC3)O1 ZINC001236008517 806527721 /nfs/dbraw/zinc/52/77/21/806527721.db2.gz LXBHMLHGFQFPEE-LBPRGKRZSA-N 3 2 253.390 0.786 20 0 CCADLP CCOC(=O)[C@]12C[N@H+](Cc3ccnnc3)C[C@H]1C[NH2+]CC2 ZINC001236037647 806532899 /nfs/dbraw/zinc/53/28/99/806532899.db2.gz ATXYFBZRNGSFER-UKRRQHHQSA-N 2 2 290.367 0.451 20 0 CCADLP CCOC(=O)[C@]12C[N@@H+](Cc3ccnnc3)C[C@H]1C[NH2+]CC2 ZINC001236037647 806532902 /nfs/dbraw/zinc/53/29/02/806532902.db2.gz ATXYFBZRNGSFER-UKRRQHHQSA-N 2 2 290.367 0.451 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1ccc(C)[nH+]c1N ZINC001236201981 806555048 /nfs/dbraw/zinc/55/50/48/806555048.db2.gz YSOWIDSPYAOYFQ-QWRGUYRKSA-N 2 2 264.329 0.047 20 0 CCADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001236246410 806556993 /nfs/dbraw/zinc/55/69/93/806556993.db2.gz ZSFHJUMGNMGCFT-GFCCVEGCSA-N 2 2 258.329 0.790 20 0 CCADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001236246410 806556999 /nfs/dbraw/zinc/55/69/99/806556999.db2.gz ZSFHJUMGNMGCFT-GFCCVEGCSA-N 2 2 258.329 0.790 20 0 CCADLP COC(=O)[C@@H]1CN(Cc2c[nH+]c3c(C)cccn23)C[C@@H]1[NH3+] ZINC001236346236 806575715 /nfs/dbraw/zinc/57/57/15/806575715.db2.gz SHAJFDGPKHCNSO-OLZOCXBDSA-N 2 2 288.351 0.575 20 0 CCADLP COCC[NH2+]C[C@H]1CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001277989665 806598233 /nfs/dbraw/zinc/59/82/33/806598233.db2.gz FCYGTRXYTGYIOK-GFCCVEGCSA-N 2 2 280.372 0.488 20 0 CCADLP C[C@H](CO)C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001277993798 806600504 /nfs/dbraw/zinc/60/05/04/806600504.db2.gz BXDAOJDEDPIDMQ-GOEBONIOSA-N 2 2 297.443 0.491 20 0 CCADLP C[C@H](CO)C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001277993798 806600510 /nfs/dbraw/zinc/60/05/10/806600510.db2.gz BXDAOJDEDPIDMQ-GOEBONIOSA-N 2 2 297.443 0.491 20 0 CCADLP C[C@H](CO)C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001277993798 806600515 /nfs/dbraw/zinc/60/05/15/806600515.db2.gz BXDAOJDEDPIDMQ-GOEBONIOSA-N 2 2 297.443 0.491 20 0 CCADLP C[C@H](CO)C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001277993798 806600518 /nfs/dbraw/zinc/60/05/18/806600518.db2.gz BXDAOJDEDPIDMQ-GOEBONIOSA-N 2 2 297.443 0.491 20 0 CCADLP [NH3+][C@H]1C[N@H+](CC2CC3(C2)CC[NH2+]CC3)CC12COC2 ZINC001237176690 806644573 /nfs/dbraw/zinc/64/45/73/806644573.db2.gz SNGDBNUQZSJMQA-ZDUSSCGKSA-N 3 2 265.401 0.426 20 0 CCADLP [NH3+][C@H]1C[N@@H+](CC2CC3(C2)CC[NH2+]CC3)CC12COC2 ZINC001237176690 806644578 /nfs/dbraw/zinc/64/45/78/806644578.db2.gz SNGDBNUQZSJMQA-ZDUSSCGKSA-N 3 2 265.401 0.426 20 0 CCADLP O=S(=O)(CC1CC[NH2+]CC1)Nc1cc[nH+]c(CO)c1 ZINC001237519529 806678332 /nfs/dbraw/zinc/67/83/32/806678332.db2.gz PFMOHMCHDWQPTQ-UHFFFAOYSA-N 2 2 285.369 0.315 20 0 CCADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCC([NH3+])CC2)[C@@H]1C ZINC001120557680 798864671 /nfs/dbraw/zinc/86/46/71/798864671.db2.gz LQLWOLAVSHEXRV-GHMZBOCLSA-N 2 2 254.378 0.459 20 0 CCADLP OC/C=C/C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001120583899 798877551 /nfs/dbraw/zinc/87/75/51/798877551.db2.gz SYMYNDZZIBMOKB-APHBUQMISA-N 2 2 276.380 0.762 20 0 CCADLP OC/C=C/C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001120583899 798877558 /nfs/dbraw/zinc/87/75/58/798877558.db2.gz SYMYNDZZIBMOKB-APHBUQMISA-N 2 2 276.380 0.762 20 0 CCADLP C[C@@H]1CN(CC[NH2+]C[C@H](O)C[N@H+](C)C2CC2)[C@H](C)CO1 ZINC001120589779 798878821 /nfs/dbraw/zinc/87/88/21/798878821.db2.gz RRYIONMCKVTOIE-NFAWXSAZSA-N 2 2 285.432 0.140 20 0 CCADLP C[C@@H]1CN(CC[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)[C@H](C)CO1 ZINC001120589779 798878829 /nfs/dbraw/zinc/87/88/29/798878829.db2.gz RRYIONMCKVTOIE-NFAWXSAZSA-N 2 2 285.432 0.140 20 0 CCADLP C[C@@H]1[C@@H](C)CCN1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001120647741 798902943 /nfs/dbraw/zinc/90/29/43/798902943.db2.gz DENRYEUTUOMKEW-NWDGAFQWSA-N 2 2 268.405 0.849 20 0 CCADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001121939030 799101910 /nfs/dbraw/zinc/10/19/10/799101910.db2.gz YWZXYCPCXGFISD-PHIMTYICSA-N 2 2 256.309 0.854 20 0 CCADLP [NH3+]CCNCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001121980907 799112225 /nfs/dbraw/zinc/11/22/25/799112225.db2.gz GKWSCXBSYVNBSW-UHFFFAOYSA-N 2 2 292.383 0.006 20 0 CCADLP CC[NH+](CC)CCN1CC[NH+](Cc2c[nH]ccc2=O)CC1 ZINC001237843476 806723934 /nfs/dbraw/zinc/72/39/34/806723934.db2.gz VYHIBBWQKOIVEH-UHFFFAOYSA-N 2 2 292.427 0.834 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC001122295130 799190563 /nfs/dbraw/zinc/19/05/63/799190563.db2.gz DTUOPPGSVKHONM-MWLCHTKSSA-N 2 2 250.346 0.704 20 0 CCADLP CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001122566017 799263693 /nfs/dbraw/zinc/26/36/93/799263693.db2.gz LWEJXQOVOLLVJB-MEWQQHAOSA-N 2 2 260.341 0.122 20 0 CCADLP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[C@H]([NH3+])C(F)F)[C@H]2C1 ZINC001122572693 799266019 /nfs/dbraw/zinc/26/60/19/799266019.db2.gz BTBPZPZYHSUYRF-XKNYDFJKSA-N 2 2 261.316 0.425 20 0 CCADLP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[C@H]([NH3+])C(F)F)[C@H]2C1 ZINC001122572693 799266027 /nfs/dbraw/zinc/26/60/27/799266027.db2.gz BTBPZPZYHSUYRF-XKNYDFJKSA-N 2 2 261.316 0.425 20 0 CCADLP C[NH+](C)Cc1nc(CNC(=O)C2([NH+](C)C)CC2)co1 ZINC001124058418 799547055 /nfs/dbraw/zinc/54/70/55/799547055.db2.gz LALUKFSOJYKVIJ-UHFFFAOYSA-N 2 2 266.345 0.447 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C)c1ncccn1 ZINC001124879831 799643509 /nfs/dbraw/zinc/64/35/09/799643509.db2.gz ZZJKWZDVCDBOTA-RYUDHWBXSA-N 2 2 277.372 0.338 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C)c1ncccn1 ZINC001124879831 799643512 /nfs/dbraw/zinc/64/35/12/799643512.db2.gz ZZJKWZDVCDBOTA-RYUDHWBXSA-N 2 2 277.372 0.338 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ncccc2O)C1 ZINC001138396712 799726037 /nfs/dbraw/zinc/72/60/37/799726037.db2.gz PBIVUPCBESQHLB-GFCCVEGCSA-N 2 2 292.383 0.429 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ncccc2O)C1 ZINC001138396712 799726044 /nfs/dbraw/zinc/72/60/44/799726044.db2.gz PBIVUPCBESQHLB-GFCCVEGCSA-N 2 2 292.383 0.429 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([NH2+]CCCO)CC1 ZINC001202864450 799752545 /nfs/dbraw/zinc/75/25/45/799752545.db2.gz WEZNJHMWOKVCFP-LBPRGKRZSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([NH2+]CCCO)CC1 ZINC001202864450 799752550 /nfs/dbraw/zinc/75/25/50/799752550.db2.gz WEZNJHMWOKVCFP-LBPRGKRZSA-N 2 2 294.399 0.551 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cccnn2)C1 ZINC001139975731 799860774 /nfs/dbraw/zinc/86/07/74/799860774.db2.gz KEFQTCZQZCIZDH-GFCCVEGCSA-N 2 2 277.372 0.119 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccnn2)C1 ZINC001139975731 799860780 /nfs/dbraw/zinc/86/07/80/799860780.db2.gz KEFQTCZQZCIZDH-GFCCVEGCSA-N 2 2 277.372 0.119 20 0 CCADLP c1cnn(Cc2c[nH+]c3n2CC[N@@H+](Cc2cn[nH]c2)CC3)c1 ZINC001203089220 799977554 /nfs/dbraw/zinc/97/75/54/799977554.db2.gz ABIYCQWQONCAES-UHFFFAOYSA-N 2 2 297.366 0.909 20 0 CCADLP c1cnn(Cc2c[nH+]c3n2CC[N@H+](Cc2cn[nH]c2)CC3)c1 ZINC001203089220 799977558 /nfs/dbraw/zinc/97/75/58/799977558.db2.gz ABIYCQWQONCAES-UHFFFAOYSA-N 2 2 297.366 0.909 20 0 CCADLP CC[C@@H](C(=O)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1)[NH+](C)C ZINC001141319289 799999482 /nfs/dbraw/zinc/99/94/82/799999482.db2.gz ZRQBJOMWFOABCV-SRVKXCTJSA-N 2 2 257.353 0.581 20 0 CCADLP CC[C@@H](C(=O)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1)[NH+](C)C ZINC001141319289 799999487 /nfs/dbraw/zinc/99/94/87/799999487.db2.gz ZRQBJOMWFOABCV-SRVKXCTJSA-N 2 2 257.353 0.581 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]CCC1CC1 ZINC001149564887 800277193 /nfs/dbraw/zinc/27/71/93/800277193.db2.gz NTVMHJUOHDUFMO-UHFFFAOYSA-N 2 2 264.373 0.859 20 0 CCADLP CC[N@@H+]1CCCO[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001149825684 800301013 /nfs/dbraw/zinc/30/10/13/800301013.db2.gz CEIIYMSOQIPQAN-CYBMUJFWSA-N 2 2 280.372 0.569 20 0 CCADLP CC[N@H+]1CCCO[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001149825684 800301018 /nfs/dbraw/zinc/30/10/18/800301018.db2.gz CEIIYMSOQIPQAN-CYBMUJFWSA-N 2 2 280.372 0.569 20 0 CCADLP CC[N@@H+]1CCCO[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001149825684 800301023 /nfs/dbraw/zinc/30/10/23/800301023.db2.gz CEIIYMSOQIPQAN-CYBMUJFWSA-N 2 2 280.372 0.569 20 0 CCADLP CC[N@H+]1CCCO[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001149825684 800301031 /nfs/dbraw/zinc/30/10/31/800301031.db2.gz CEIIYMSOQIPQAN-CYBMUJFWSA-N 2 2 280.372 0.569 20 0 CCADLP CCC[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001151815046 800461350 /nfs/dbraw/zinc/46/13/50/800461350.db2.gz PMMWPGZNFJOEMY-CYBMUJFWSA-N 2 2 269.389 0.213 20 0 CCADLP CCc1nnc([C@H](C)[NH2+]CCNC(=O)C[N@H+](C)C(C)C)o1 ZINC001152432101 800521581 /nfs/dbraw/zinc/52/15/81/800521581.db2.gz FSYOAUMLIWDACQ-NSHDSACASA-N 2 2 297.403 0.739 20 0 CCADLP CCc1nnc([C@H](C)[NH2+]CCNC(=O)C[N@@H+](C)C(C)C)o1 ZINC001152432101 800521584 /nfs/dbraw/zinc/52/15/84/800521584.db2.gz FSYOAUMLIWDACQ-NSHDSACASA-N 2 2 297.403 0.739 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1nonc1C ZINC001152446069 800523229 /nfs/dbraw/zinc/52/32/29/800523229.db2.gz SOCHEEHMIJFHCC-CYBMUJFWSA-N 2 2 295.387 0.458 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1nonc1C ZINC001152446069 800523233 /nfs/dbraw/zinc/52/32/33/800523233.db2.gz SOCHEEHMIJFHCC-CYBMUJFWSA-N 2 2 295.387 0.458 20 0 CCADLP C[C@H]1C[C@H](C[NH2+]CCNC(=O)Cn2cc[nH+]c2)CCO1 ZINC001153496221 800635610 /nfs/dbraw/zinc/63/56/10/800635610.db2.gz WNGPCLJSDZEEOI-QWHCGFSZSA-N 2 2 280.372 0.404 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNc2cccc(N3CCOCC3)[nH+]2)C1 ZINC001155197535 800928509 /nfs/dbraw/zinc/92/85/09/800928509.db2.gz OZBTUXSUXNVOPQ-ZDUSSCGKSA-N 2 2 292.383 0.661 20 0 CCADLP C[N@H+]1CCO[C@@H](CNc2cccc(N3CCOCC3)[nH+]2)C1 ZINC001155197535 800928513 /nfs/dbraw/zinc/92/85/13/800928513.db2.gz OZBTUXSUXNVOPQ-ZDUSSCGKSA-N 2 2 292.383 0.661 20 0 CCADLP COc1ncc(F)c(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)n1 ZINC001155372104 800961294 /nfs/dbraw/zinc/96/12/94/800961294.db2.gz GAKSIDMOCLIFTA-LLVKDONJSA-N 2 2 295.362 0.484 20 0 CCADLP [NH3+][C@@H]1CN(Cc2cn3c(n2)C[NH2+]CC3)CCC1(F)F ZINC001206658348 801037635 /nfs/dbraw/zinc/03/76/35/801037635.db2.gz WDVQHOYFFKKDGY-SNVBAGLBSA-N 2 2 271.315 0.155 20 0 CCADLP CC[N@H+](C[C@H](C)O)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156384176 801159625 /nfs/dbraw/zinc/15/96/25/801159625.db2.gz ZBOOTPLZQVKCSD-NEPJUHHUSA-N 2 2 282.388 0.170 20 0 CCADLP CC[N@@H+](C[C@H](C)O)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001156384176 801159629 /nfs/dbraw/zinc/15/96/29/801159629.db2.gz ZBOOTPLZQVKCSD-NEPJUHHUSA-N 2 2 282.388 0.170 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCCC[NH2+]Cc1ncccn1 ZINC001157255806 801333960 /nfs/dbraw/zinc/33/39/60/801333960.db2.gz DOISVQZVCQRMHO-UHFFFAOYSA-N 2 2 288.355 0.428 20 0 CCADLP COCCC[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157264813 801335738 /nfs/dbraw/zinc/33/57/38/801335738.db2.gz MATUEDNQHIUUGL-UHFFFAOYSA-N 2 2 268.361 0.475 20 0 CCADLP CO[C@@H]1COCC[C@H]1Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001157409663 801374277 /nfs/dbraw/zinc/37/42/77/801374277.db2.gz GXEOPLSOSFZVIN-ZIAGYGMSSA-N 2 2 292.383 0.707 20 0 CCADLP O=C(N1CCCC(F)(F)CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001157708054 801460565 /nfs/dbraw/zinc/46/05/65/801460565.db2.gz HCPYUGPIZCBUJY-GXFFZTMASA-N 2 2 273.327 0.586 20 0 CCADLP [NH3+]C1(C(=O)N2CCCC(F)(F)CC2)CC[NH2+]CC1 ZINC001157708311 801460715 /nfs/dbraw/zinc/46/07/15/801460715.db2.gz OVASTLZUCHCYLI-UHFFFAOYSA-N 2 2 261.316 0.715 20 0 CCADLP [NH3+]C[C@@]1(F)CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001157730963 801465946 /nfs/dbraw/zinc/46/59/46/801465946.db2.gz QCAABBYKYVJQKC-CYBMUJFWSA-N 2 2 268.336 0.953 20 0 CCADLP C[C@@H]1CCCCN(C(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)C1 ZINC001157782341 801483557 /nfs/dbraw/zinc/48/35/57/801483557.db2.gz ZFHSCOXZAUXUQB-MROQNXINSA-N 2 2 251.374 0.585 20 0 CCADLP [NH3+]C[C@@]1(F)CCN(c2ccc(Cn3cncn3)c[nH+]2)C1 ZINC001157817724 801495341 /nfs/dbraw/zinc/49/53/41/801495341.db2.gz OAHVNCSSRVMXCT-ZDUSSCGKSA-N 2 2 276.319 0.599 20 0 CCADLP C[C@@H]1CCN(C(=O)c2cc3n(n2)CCC[N@H+](C)C3)C[C@@H]1[NH3+] ZINC001157844697 801498876 /nfs/dbraw/zinc/49/88/76/801498876.db2.gz XAUREMKDYBNYJL-YPMHNXCESA-N 2 2 291.399 0.528 20 0 CCADLP C[C@@H]1CCN(C(=O)c2cc3n(n2)CCC[N@@H+](C)C3)C[C@@H]1[NH3+] ZINC001157844697 801498879 /nfs/dbraw/zinc/49/88/79/801498879.db2.gz XAUREMKDYBNYJL-YPMHNXCESA-N 2 2 291.399 0.528 20 0 CCADLP COC(=O)c1ccnc(NC(=[NH2+])N2CC[NH+](C)CC2)c1 ZINC001157910358 801517845 /nfs/dbraw/zinc/51/78/45/801517845.db2.gz FLZUOZOQYBKQBS-UHFFFAOYSA-N 2 2 277.328 0.462 20 0 CCADLP CC(=O)Nc1cccc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001157914585 801518090 /nfs/dbraw/zinc/51/80/90/801518090.db2.gz BPYJLTAOTJQYGO-UHFFFAOYSA-N 2 2 276.344 0.634 20 0 CCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CC1CCCC1 ZINC001157999777 801550268 /nfs/dbraw/zinc/55/02/68/801550268.db2.gz UKNGJGXAOLKMKI-STQMWFEESA-N 2 2 297.399 0.258 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nc(Cl)nc2ccoc21 ZINC001158204987 801592977 /nfs/dbraw/zinc/59/29/77/801592977.db2.gz ZQOQUVNMTHXVRR-SSDOTTSWSA-N 2 2 293.714 0.924 20 0 CCADLP CSc1cncc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158209253 801595963 /nfs/dbraw/zinc/59/59/63/801595963.db2.gz NNUWAHDJCXVQGY-MRVPVSSYSA-N 2 2 265.342 0.246 20 0 CCADLP Nc1[nH]c2cc(C(=O)N3CC[C@@H]4[NH2+]CC[C@H]43)ccc2[nH+]1 ZINC001158235506 801601727 /nfs/dbraw/zinc/60/17/27/801601727.db2.gz NHOCEOYUXUTWAM-CMPLNLGQSA-N 2 2 271.324 0.722 20 0 CCADLP Nc1nc(Cl)cc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158257615 801606893 /nfs/dbraw/zinc/60/68/93/801606893.db2.gz FSNUEGJQQLSVRF-SECBINFHSA-N 2 2 296.806 0.714 20 0 CCADLP Nc1nc(Cl)cc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158257615 801606896 /nfs/dbraw/zinc/60/68/96/801606896.db2.gz FSNUEGJQQLSVRF-SECBINFHSA-N 2 2 296.806 0.714 20 0 CCADLP COc1nccnc1N1CCC([N@@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158258359 801607131 /nfs/dbraw/zinc/60/71/31/801607131.db2.gz XDCLMAZUYNESNB-LLVKDONJSA-N 2 2 277.372 0.487 20 0 CCADLP COc1nccnc1N1CCC([N@H+]2CC[C@@H]([NH3+])C2)CC1 ZINC001158258359 801607135 /nfs/dbraw/zinc/60/71/35/801607135.db2.gz XDCLMAZUYNESNB-LLVKDONJSA-N 2 2 277.372 0.487 20 0 CCADLP CN(C)c1ccc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)nn1 ZINC001158258813 801608682 /nfs/dbraw/zinc/60/86/82/801608682.db2.gz JLEKVZGLSMMRRY-GFCCVEGCSA-N 2 2 290.415 0.544 20 0 CCADLP CN(C)c1ccc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)nn1 ZINC001158258813 801608686 /nfs/dbraw/zinc/60/86/86/801608686.db2.gz JLEKVZGLSMMRRY-GFCCVEGCSA-N 2 2 290.415 0.544 20 0 CCADLP CCCc1cc(N2C[C@@H](OC)[C@@H]([NH3+])C2)nc(C)[nH+]1 ZINC001158711827 801690582 /nfs/dbraw/zinc/69/05/82/801690582.db2.gz VHELAYXWDMDEGU-NWDGAFQWSA-N 2 2 250.346 0.900 20 0 CCADLP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(=O)[nH]n1 ZINC001276405953 801720312 /nfs/dbraw/zinc/72/03/12/801720312.db2.gz SSWTWXXIPMLUCF-OKILXGFUSA-N 2 2 291.399 0.392 20 0 CCADLP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(=O)[nH]n1 ZINC001276405953 801720321 /nfs/dbraw/zinc/72/03/21/801720321.db2.gz SSWTWXXIPMLUCF-OKILXGFUSA-N 2 2 291.399 0.392 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCCC[NH2+]CC1CC1 ZINC001159537518 801831594 /nfs/dbraw/zinc/83/15/94/801831594.db2.gz YSYMZAPXJJQADY-UHFFFAOYSA-N 2 2 250.346 0.848 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCCC[NH2+]CC1CC1 ZINC001159537518 801831606 /nfs/dbraw/zinc/83/16/06/801831606.db2.gz YSYMZAPXJJQADY-UHFFFAOYSA-N 2 2 250.346 0.848 20 0 CCADLP O=C([C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)N(CCO)Cc1cccs1 ZINC001160444227 801941653 /nfs/dbraw/zinc/94/16/53/801941653.db2.gz ZPMINDQKAKUNOI-WCFLWFBJSA-N 2 2 295.408 0.019 20 0 CCADLP O=C(N1CCCC[C@H]1C[NH+]1CCCC1)C1(F)C[NH2+]C1 ZINC001160461478 801945237 /nfs/dbraw/zinc/94/52/37/801945237.db2.gz QTGKSFXMTFRQLL-LBPRGKRZSA-N 2 2 269.364 0.775 20 0 CCADLP O=C([C@@H]1CC[NH2+]1)N1CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC001160565568 801971636 /nfs/dbraw/zinc/97/16/36/801971636.db2.gz GVRJJTSBXJAFDF-AWEZNQCLSA-N 2 2 299.378 0.569 20 0 CCADLP C[C@@H](CO)CCNc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001160608006 801982314 /nfs/dbraw/zinc/98/23/14/801982314.db2.gz KKZRKVRQTOWIGN-GFCCVEGCSA-N 2 2 264.373 0.922 20 0 CCADLP CN(CC1CCCCC1)C(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001160716502 802009449 /nfs/dbraw/zinc/00/94/49/802009449.db2.gz QEKQTPDISSJIGC-OAHLLOKOSA-N 2 2 296.459 0.776 20 0 CCADLP O=C(C=C1CC[NH2+]CC1)N1CCc2[nH+]ccn2CC1 ZINC001160760321 802016455 /nfs/dbraw/zinc/01/64/55/802016455.db2.gz JYQCASCGRPOASW-UHFFFAOYSA-N 2 2 260.341 0.578 20 0 CCADLP CN(Cc1ccc(F)cc1F)C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001160874795 802038536 /nfs/dbraw/zinc/03/85/36/802038536.db2.gz BIBIFSKDJXWWPR-JQWIXIFHSA-N 2 2 269.295 0.470 20 0 CCADLP CO[C@@H](C)C[NH2+]CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001161315035 802124277 /nfs/dbraw/zinc/12/42/77/802124277.db2.gz MUGYBQUMGDHHCR-QWHCGFSZSA-N 2 2 294.399 0.576 20 0 CCADLP COCC[N@H+]1CC=C(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001161335643 802130755 /nfs/dbraw/zinc/13/07/55/802130755.db2.gz CILRMGZGESULOD-UHFFFAOYSA-N 2 2 292.383 0.737 20 0 CCADLP COCC[N@@H+]1CC=C(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001161335643 802130760 /nfs/dbraw/zinc/13/07/60/802130760.db2.gz CILRMGZGESULOD-UHFFFAOYSA-N 2 2 292.383 0.737 20 0 CCADLP CN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])[C@@H]1CCc2ccccc21 ZINC001161542368 802174011 /nfs/dbraw/zinc/17/40/11/802174011.db2.gz CPPKCKQKJSOKSJ-MELADBBJSA-N 2 2 259.353 0.679 20 0 CCADLP c1cn(CCCNc2cnc(O[C@@H]3CC[NH2+]C3)nc2)c[nH+]1 ZINC001161684522 802198639 /nfs/dbraw/zinc/19/86/39/802198639.db2.gz GWLNKKMCRHPFLN-CYBMUJFWSA-N 2 2 288.355 0.916 20 0 CCADLP Cn1c[nH+]cc1NS(=O)(=O)c1ccc(C[NH3+])cc1 ZINC001161748915 802214449 /nfs/dbraw/zinc/21/44/49/802214449.db2.gz XSDTYTNSNOWYEC-UHFFFAOYSA-N 2 2 266.326 0.680 20 0 CCADLP C[C@@H]1C(=O)Nc2ncnc(NCC[NH+]3CCC([NH3+])CC3)c21 ZINC001161867350 802233600 /nfs/dbraw/zinc/23/36/00/802233600.db2.gz FUJTZLUNVYYEIN-VIFPVBQESA-N 2 2 290.371 0.367 20 0 CCADLP [NH3+]C1CC[NH+](CCNc2nc(Cl)nc3c2COC3)CC1 ZINC001161866867 802234272 /nfs/dbraw/zinc/23/42/72/802234272.db2.gz DHWALWDBHBOFKX-UHFFFAOYSA-N 2 2 297.790 0.995 20 0 CCADLP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCO[C@@H](C[NH3+])C1)C2 ZINC001255182258 808326855 /nfs/dbraw/zinc/32/68/55/808326855.db2.gz DOBZLQYOOMDTFU-DGAVXFQQSA-N 2 2 297.399 0.798 20 0 CCADLP CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCO[C@@H](C[NH3+])C1)C2 ZINC001255182258 808326865 /nfs/dbraw/zinc/32/68/65/808326865.db2.gz DOBZLQYOOMDTFU-DGAVXFQQSA-N 2 2 297.399 0.798 20 0 CCADLP c1ncn(Cc2ccc(N[C@H]3C=C[C@@H]4C[NH2+]C[C@@H]43)[nH+]c2)n1 ZINC001162798804 802421224 /nfs/dbraw/zinc/42/12/24/802421224.db2.gz VKSFRBWLJPLAHV-RDBSUJKOSA-N 2 2 282.351 0.907 20 0 CCADLP CC[NH2+]CCCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001163283410 802526402 /nfs/dbraw/zinc/52/64/02/802526402.db2.gz NOPJNMFLIBSFEO-CQSZACIVSA-N 2 2 283.416 0.603 20 0 CCADLP CC[NH2+]CCCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001163283410 802526408 /nfs/dbraw/zinc/52/64/08/802526408.db2.gz NOPJNMFLIBSFEO-CQSZACIVSA-N 2 2 283.416 0.603 20 0 CCADLP CCNC(=O)CN(C)c1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001163913628 802631189 /nfs/dbraw/zinc/63/11/89/802631189.db2.gz LZBHZNPFSBFOLG-UHFFFAOYSA-N 2 2 291.399 0.406 20 0 CCADLP CCS(=O)(=O)CC[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000700790349 809773440 /nfs/dbraw/zinc/77/34/40/809773440.db2.gz BNTLNAOHNOINQO-GFCCVEGCSA-N 2 2 262.419 0.743 20 0 CCADLP CCS(=O)(=O)CC[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000700790349 809773445 /nfs/dbraw/zinc/77/34/45/809773445.db2.gz BNTLNAOHNOINQO-GFCCVEGCSA-N 2 2 262.419 0.743 20 0 CCADLP O[C@H]1CCN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)CC[C@@H]1F ZINC001164236459 802693032 /nfs/dbraw/zinc/69/30/32/802693032.db2.gz ASUCGFLLGPTWFW-KBPBESRZSA-N 2 2 294.374 0.790 20 0 CCADLP CCC[NH2+]CCN(CCO)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001279746622 809994812 /nfs/dbraw/zinc/99/48/12/809994812.db2.gz NPVKXMIFASJJMP-UHFFFAOYSA-N 2 2 290.367 0.997 20 0 CCADLP [NH3+][C@H]1CCN(c2ccc(OCC[NH+]3CCOCC3)nc2)C1 ZINC001164287014 802707186 /nfs/dbraw/zinc/70/71/86/802707186.db2.gz AIHHESKXNYGDCI-ZDUSSCGKSA-N 2 2 292.383 0.330 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Nc2cccc3c2CC[C@@H]3[NH3+])C[NH2+]1 ZINC001164312347 802719633 /nfs/dbraw/zinc/71/96/33/802719633.db2.gz POMFKVBLJCQHBA-WFBYXXMGSA-N 2 2 275.352 0.948 20 0 CCADLP [NH3+][C@@H]1CN(c2ncc3c(n2)C[NH2+]C3)CCC1(F)F ZINC001164324847 802724029 /nfs/dbraw/zinc/72/40/29/802724029.db2.gz XIMSDNJDUSSDBC-SECBINFHSA-N 2 2 255.272 0.253 20 0 CCADLP C[NH+](C)C[C@@H]1CCCN1c1cc[nH+]c(N2CCOCC2)n1 ZINC001165075800 802780149 /nfs/dbraw/zinc/78/01/49/802780149.db2.gz DFCSJIZJGUQXQN-ZDUSSCGKSA-N 2 2 291.399 0.844 20 0 CCADLP CN(C)c1cc(N2CC([N@H+](C)[C@@H]3CCOC3)C2)nc[nH+]1 ZINC001165203785 802795283 /nfs/dbraw/zinc/79/52/83/802795283.db2.gz GHKBONGCFDAQBX-LLVKDONJSA-N 2 2 277.372 0.452 20 0 CCADLP CN(C)c1cc(N2CC([N@@H+](C)[C@@H]3CCOC3)C2)nc[nH+]1 ZINC001165203785 802795286 /nfs/dbraw/zinc/79/52/86/802795286.db2.gz GHKBONGCFDAQBX-LLVKDONJSA-N 2 2 277.372 0.452 20 0 CCADLP C[C@@H](O)C[NH2+]CCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001166408253 802905696 /nfs/dbraw/zinc/90/56/96/802905696.db2.gz MZSBLIYHIZOVBP-MNOVXSKESA-N 2 2 280.372 0.306 20 0 CCADLP CN1CC[C@H](Nc2[nH+]cccc2N2CC[NH2+]CC2)C1=O ZINC001166655913 802932224 /nfs/dbraw/zinc/93/22/24/802932224.db2.gz NVCIODCHPMKIFA-NSHDSACASA-N 2 2 275.356 0.134 20 0 CCADLP NC(=O)[C@@H]1CCCN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC001166933487 802983323 /nfs/dbraw/zinc/98/33/23/802983323.db2.gz VWKGMVKSYIQVOY-GFCCVEGCSA-N 2 2 289.383 0.193 20 0 CCADLP COCC[NH2+][C@@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C12CCC2 ZINC001203530337 803032804 /nfs/dbraw/zinc/03/28/04/803032804.db2.gz HKTCYLJSPUBNQY-NEPJUHHUSA-N 2 2 292.383 0.616 20 0 CCADLP Cn1c[nH+]cc1CN1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001204389276 803083452 /nfs/dbraw/zinc/08/34/52/803083452.db2.gz PKSFRAKEGAFPQZ-CQSZACIVSA-N 2 2 264.373 0.717 20 0 CCADLP Cc1cc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)nn1C ZINC001205673599 803154519 /nfs/dbraw/zinc/15/45/19/803154519.db2.gz RYHOLSCRGNLKFU-CYBMUJFWSA-N 2 2 252.362 0.404 20 0 CCADLP Cc1cc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)nn1C ZINC001205673599 803154526 /nfs/dbraw/zinc/15/45/26/803154526.db2.gz RYHOLSCRGNLKFU-CYBMUJFWSA-N 2 2 252.362 0.404 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2cc(F)ccn2)C1 ZINC001205690125 803156076 /nfs/dbraw/zinc/15/60/76/803156076.db2.gz SWOKQNPARVSYCT-CYBMUJFWSA-N 2 2 253.321 0.896 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2cc(F)ccn2)C1 ZINC001205690125 803156078 /nfs/dbraw/zinc/15/60/78/803156078.db2.gz SWOKQNPARVSYCT-CYBMUJFWSA-N 2 2 253.321 0.896 20 0 CCADLP [NH3+][C@@H]1CN(Cc2cccc(-n3cc[nH+]c3)c2)CC[C@H]1O ZINC001206092504 803205680 /nfs/dbraw/zinc/20/56/80/803205680.db2.gz JZRCXYHHZVSPIO-HUUCEWRRSA-N 2 2 272.352 0.766 20 0 CCADLP COc1cccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1OC ZINC001206463666 803247205 /nfs/dbraw/zinc/24/72/05/803247205.db2.gz APFREXCMWHJXMS-NWDGAFQWSA-N 2 2 266.341 0.455 20 0 CCADLP COc1cccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1OC ZINC001206463666 803247209 /nfs/dbraw/zinc/24/72/09/803247209.db2.gz APFREXCMWHJXMS-NWDGAFQWSA-N 2 2 266.341 0.455 20 0 CCADLP CCOC(=O)c1ccccc1C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206492510 803252761 /nfs/dbraw/zinc/25/27/61/803252761.db2.gz VKBZRFGGEGPSLF-GXTWGEPZSA-N 2 2 278.352 0.615 20 0 CCADLP CCOC(=O)c1ccccc1C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206492510 803252765 /nfs/dbraw/zinc/25/27/65/803252765.db2.gz VKBZRFGGEGPSLF-GXTWGEPZSA-N 2 2 278.352 0.615 20 0 CCADLP COc1cccc(OC)c1C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206512304 803256614 /nfs/dbraw/zinc/25/66/14/803256614.db2.gz LNYPJHMIHNRCPP-JQWIXIFHSA-N 2 2 266.341 0.455 20 0 CCADLP COc1cccc(OC)c1C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206512304 803256619 /nfs/dbraw/zinc/25/66/19/803256619.db2.gz LNYPJHMIHNRCPP-JQWIXIFHSA-N 2 2 266.341 0.455 20 0 CCADLP CSc1ncc(C)cc1C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206535576 803263153 /nfs/dbraw/zinc/26/31/53/803263153.db2.gz MWBUROYXGDTFQH-RYUDHWBXSA-N 2 2 267.398 0.863 20 0 CCADLP CSc1ncc(C)cc1C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206535576 803263156 /nfs/dbraw/zinc/26/31/56/803263156.db2.gz MWBUROYXGDTFQH-RYUDHWBXSA-N 2 2 267.398 0.863 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC(C[NH2+]CCF)CC1 ZINC001206872707 803296740 /nfs/dbraw/zinc/29/67/40/803296740.db2.gz QFKJKBUJRZBOND-UHFFFAOYSA-N 2 2 282.363 0.760 20 0 CCADLP CC[N@@H+]1C[C@@H]2C[C@H]1CN2CC(C)(C)[NH+]1CCOCC1 ZINC001207305421 803382926 /nfs/dbraw/zinc/38/29/26/803382926.db2.gz CPHJYLFIGGPHEF-KBPBESRZSA-N 2 2 267.417 0.876 20 0 CCADLP CC[N@H+]1C[C@@H]2C[C@H]1CN2CC(C)(C)[NH+]1CCOCC1 ZINC001207305421 803382933 /nfs/dbraw/zinc/38/29/33/803382933.db2.gz CPHJYLFIGGPHEF-KBPBESRZSA-N 2 2 267.417 0.876 20 0 CCADLP COC(=O)CN1CC[NH+](CC2(C[NH+](C)C)CCCC2)CC1 ZINC001208189913 803497104 /nfs/dbraw/zinc/49/71/04/803497104.db2.gz CAKWJBJMTVFWQD-UHFFFAOYSA-N 2 2 297.443 0.899 20 0 CCADLP CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208250596 803500292 /nfs/dbraw/zinc/50/02/92/803500292.db2.gz SAYLKDNNNPIDGH-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001208250596 803500297 /nfs/dbraw/zinc/50/02/97/803500297.db2.gz SAYLKDNNNPIDGH-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001208247478 803500399 /nfs/dbraw/zinc/50/03/99/803500399.db2.gz JHLIYALSHDKXRU-CHWSQXEVSA-N 2 2 280.372 0.092 20 0 CCADLP C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001208247478 803500403 /nfs/dbraw/zinc/50/04/03/803500403.db2.gz JHLIYALSHDKXRU-CHWSQXEVSA-N 2 2 280.372 0.092 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@H]([NH2+]CCCO)C1 ZINC001208365639 803510014 /nfs/dbraw/zinc/51/00/14/803510014.db2.gz QUCQRDOYCRKYQW-YNEHKIRRSA-N 2 2 292.383 0.476 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@H]([NH2+]CCCO)C1 ZINC001208365639 803510017 /nfs/dbraw/zinc/51/00/17/803510017.db2.gz QUCQRDOYCRKYQW-YNEHKIRRSA-N 2 2 292.383 0.476 20 0 CCADLP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1cc(O)cc(O)c1)C2 ZINC001276573233 803531790 /nfs/dbraw/zinc/53/17/90/803531790.db2.gz ZITXYHSWAFKJAF-UHFFFAOYSA-N 2 2 291.395 0.777 20 0 CCADLP CC[N@@H+]1CCN(CC[NH+]2CCOCC2)C(C)(C)C1 ZINC001209296608 803590353 /nfs/dbraw/zinc/59/03/53/803590353.db2.gz WTAQWDNMKRQPBZ-UHFFFAOYSA-N 2 2 255.406 0.735 20 0 CCADLP CC[N@H+]1CCN(CC[NH+]2CCOCC2)C(C)(C)C1 ZINC001209296608 803590355 /nfs/dbraw/zinc/59/03/55/803590355.db2.gz WTAQWDNMKRQPBZ-UHFFFAOYSA-N 2 2 255.406 0.735 20 0 CCADLP COC[C@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCN1 ZINC001210121020 803639114 /nfs/dbraw/zinc/63/91/14/803639114.db2.gz IZSJODMKLYBIAL-MRXNPFEDSA-N 2 2 275.396 0.753 20 0 CCADLP COC[C@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCN1 ZINC001210121020 803639117 /nfs/dbraw/zinc/63/91/17/803639117.db2.gz IZSJODMKLYBIAL-MRXNPFEDSA-N 2 2 275.396 0.753 20 0 CCADLP Cn1c[nH+]cc1Nc1cc[nH+]c(N2CC[NH2+]CC2)c1 ZINC001210262996 803643660 /nfs/dbraw/zinc/64/36/60/803643660.db2.gz WWQKVZYRKBWBNH-UHFFFAOYSA-N 3 2 258.329 0.968 20 0 CCADLP Cc1cc(=N)n(-c2cc[nH+]c(N3CC[NH2+]CC3)c2)cc1N ZINC001210264831 803645099 /nfs/dbraw/zinc/64/50/99/803645099.db2.gz XUVLTIXMSFYGQP-UHFFFAOYSA-N 2 2 284.367 0.652 20 0 CCADLP COCCCC[NH2+][C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001210302746 803647019 /nfs/dbraw/zinc/64/70/19/803647019.db2.gz GTBOGCDUDULTCO-ZDUSSCGKSA-N 2 2 294.399 0.959 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]([NH2+]CCCF)C1 ZINC001210669505 803657248 /nfs/dbraw/zinc/65/72/48/803657248.db2.gz XZVRSPULYBWSKB-LBPRGKRZSA-N 2 2 282.363 0.903 20 0 CCADLP COCC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001210667925 803657297 /nfs/dbraw/zinc/65/72/97/803657297.db2.gz JTSAIDZPJRZMKM-GFCCVEGCSA-N 2 2 280.372 0.190 20 0 CCADLP COCC[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001214529387 803747597 /nfs/dbraw/zinc/74/75/97/803747597.db2.gz WMABUXBVVMQDOS-VXGBXAGGSA-N 2 2 280.372 0.425 20 0 CCADLP C[C@@H]1C[NH+](CCc2nnc(C(C)(C)[NH3+])o2)C[C@@H](C)O1 ZINC001217697030 803902060 /nfs/dbraw/zinc/90/20/60/803902060.db2.gz SZNGGKNFZDBXGU-NXEZZACHSA-N 2 2 268.361 0.915 20 0 CCADLP FC1(F)C[NH2+]C[C@H](OC[C@H]2C[C@@H]3CC[NH2+]C[C@@H]3O2)C1 ZINC001217856369 803920765 /nfs/dbraw/zinc/92/07/65/803920765.db2.gz PHCQDOMMKUMJKC-QCNOEVLYSA-N 2 2 276.327 0.767 20 0 CCADLP Cc1c(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)cnn1C ZINC001218503319 803969613 /nfs/dbraw/zinc/96/96/13/803969613.db2.gz AKXNYDMUBDNKCO-LBPRGKRZSA-N 2 2 273.340 0.939 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ncnc2sccc21 ZINC001218514946 803978344 /nfs/dbraw/zinc/97/83/44/803978344.db2.gz FZKHYYSYJRPPTM-YUMQZZPRSA-N 2 2 263.326 0.177 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cc(C2CC2)[nH]n1 ZINC001218521019 803983445 /nfs/dbraw/zinc/98/34/45/803983445.db2.gz JNFMYQDDJFCOFU-SECBINFHSA-N 2 2 260.301 0.519 20 0 CCADLP Cc1nc(Cl)ncc1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218586175 804022937 /nfs/dbraw/zinc/02/29/37/804022937.db2.gz IBVCCDPKBKPLEB-RWYTXXIDSA-N 2 2 281.747 0.599 20 0 CCADLP Cc1nc2ccccn2c1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218589657 804024651 /nfs/dbraw/zinc/02/46/51/804024651.db2.gz DECCMRAJVWKFTB-HFAKWTLXSA-N 2 2 285.351 0.803 20 0 CCADLP Cc1nc2ccccn2c1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218590217 804024690 /nfs/dbraw/zinc/02/46/90/804024690.db2.gz MFQJYEIIKIWVCH-UHFFFAOYSA-N 2 2 273.340 0.662 20 0 CCADLP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1cc[nH+]c2c1CCC2 ZINC001218622260 804038945 /nfs/dbraw/zinc/03/89/45/804038945.db2.gz YNTUEOITNXRCOF-AWEZNQCLSA-N 3 2 276.384 0.648 20 0 CCADLP Nc1cnc(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)cn1 ZINC001218627428 804045164 /nfs/dbraw/zinc/04/51/64/804045164.db2.gz RDQHBFNOZLHGSW-SNVBAGLBSA-N 2 2 272.312 0.270 20 0 CCADLP CCc1nccnc1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218645299 804057065 /nfs/dbraw/zinc/05/70/65/804057065.db2.gz FUKAJLVNQOGLBO-JQEORGNBSA-N 2 2 261.329 0.199 20 0 CCADLP COc1nc(Cl)ccc1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218677229 804077809 /nfs/dbraw/zinc/07/78/09/804077809.db2.gz RDVQNQPAZMLUJD-UHFFFAOYSA-N 2 2 284.747 0.763 20 0 CCADLP CCN=c1ccc(N)cn1C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001218741246 804103227 /nfs/dbraw/zinc/10/32/27/804103227.db2.gz JFXXOIBWRZOHER-CQSZACIVSA-N 2 2 299.378 0.638 20 0 CCADLP COc1cc(Cl)ncc1NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001218757878 804112166 /nfs/dbraw/zinc/11/21/66/804112166.db2.gz YDAXKPCJCQQFSY-RBDZCENOSA-N 2 2 296.758 0.904 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1cnn(C(F)F)c1 ZINC001218773078 804117501 /nfs/dbraw/zinc/11/75/01/804117501.db2.gz RXSYINCNNDYZTF-VIFPVBQESA-N 2 2 284.270 0.520 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cnn2cc(F)ccc12 ZINC001218799752 804124835 /nfs/dbraw/zinc/12/48/35/804124835.db2.gz ZTVOVVSGLIIEPI-QMMMGPOBSA-N 2 2 251.265 0.088 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc(-n2ccnc2)cc1 ZINC001218811350 804129603 /nfs/dbraw/zinc/12/96/03/804129603.db2.gz HGNNHLYZRLNJLZ-LBPRGKRZSA-N 2 2 259.313 0.487 20 0 CCADLP COc1cc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)cc(OC)c1 ZINC001218809096 804130031 /nfs/dbraw/zinc/13/00/31/804130031.db2.gz LXQHJCYHZASFEK-NFAWXSAZSA-N 2 2 291.351 0.864 20 0 CCADLP [NH3+]CCC[C@H]([NH3+])C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001218811857 804130560 /nfs/dbraw/zinc/13/05/60/804130560.db2.gz LPLSREWGUCJZIE-ZDUSSCGKSA-N 3 2 273.340 0.877 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccccc2-n2cccn2)C1 ZINC001218818278 804131588 /nfs/dbraw/zinc/13/15/88/804131588.db2.gz STCRMZWNFVKFCV-PWSUYJOCSA-N 2 2 271.324 0.500 20 0 CCADLP COC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001218997428 804180348 /nfs/dbraw/zinc/18/03/48/804180348.db2.gz ULQFFIIRGFTDNX-AAEUAGOBSA-N 2 2 291.351 0.592 20 0 CCADLP Cc1ccc(CCCO)c(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c1 ZINC001219104125 804200103 /nfs/dbraw/zinc/20/01/03/804200103.db2.gz XTYXAVDQHFKHCE-STQMWFEESA-N 2 2 277.368 0.405 20 0 CCADLP [NH3+]C1(C(=O)Nc2cccc3c2COC3)CC[NH2+]CC1 ZINC001219110567 804204062 /nfs/dbraw/zinc/20/40/62/804204062.db2.gz RHUDZXOWAJXEQW-UHFFFAOYSA-N 2 2 261.325 0.736 20 0 CCADLP CCc1cc(S(C)(=O)=O)ccc1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001219174819 804227915 /nfs/dbraw/zinc/22/79/15/804227915.db2.gz PXKVTYKVZKHKDF-NSHDSACASA-N 2 2 299.396 0.267 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc(F)c2cnccc12 ZINC001219200010 804231456 /nfs/dbraw/zinc/23/14/56/804231456.db2.gz ROINONZJZACXCI-NSHDSACASA-N 2 2 262.288 0.989 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc2[nH]c(=O)cnc2c1 ZINC001219438192 804310560 /nfs/dbraw/zinc/31/05/60/804310560.db2.gz JXGLVPNDHPSMKR-SNVBAGLBSA-N 2 2 298.306 0.155 20 0 CCADLP C[C@H]1C[NH2+]C[C@H](CNC(=O)CN(C)c2cccc[nH+]2)C1 ZINC001219638943 804385834 /nfs/dbraw/zinc/38/58/34/804385834.db2.gz SEDUUNIIEMDXLW-CHWSQXEVSA-N 2 2 276.384 0.880 20 0 CCADLP [NH3+]C1(C(=O)NCc2cc(F)c(F)c(F)c2)CC[NH2+]CC1 ZINC001219906249 804444798 /nfs/dbraw/zinc/44/47/98/804444798.db2.gz LUEQKHFZUQGFOL-UHFFFAOYSA-N 2 2 287.285 0.801 20 0 CCADLP Cc1ccc(CCNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)c(C)c1 ZINC001219907856 804445751 /nfs/dbraw/zinc/44/57/51/804445751.db2.gz HNZXZBFKICNRSV-RDJZCZTQSA-N 2 2 287.407 0.914 20 0 CCADLP Cc1ccc(CCNC(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)c(C)c1 ZINC001219910365 804447055 /nfs/dbraw/zinc/44/70/55/804447055.db2.gz ZHPXVZGQERYUNX-KBPBESRZSA-N 2 2 261.369 0.651 20 0 CCADLP Cc1c[nH]c(CCNC(=O)[C@H]2CCC[NH2+][C@H]2C)[nH+]1 ZINC001219952496 804456364 /nfs/dbraw/zinc/45/63/64/804456364.db2.gz WLVITYALMNZSLR-QWRGUYRKSA-N 2 2 250.346 0.765 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[NH2+]C1CCCCC1 ZINC001219951799 804456472 /nfs/dbraw/zinc/45/64/72/804456472.db2.gz CCZWVUJBZHRLIG-AWEZNQCLSA-N 3 2 293.415 0.708 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CCOC2)cc1 ZINC001220020475 804474770 /nfs/dbraw/zinc/47/47/70/804474770.db2.gz KGKMRTPADKGURM-GWCFXTLKSA-N 2 2 263.341 0.411 20 0 CCADLP CC1(C)CC(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC(C)(C)N1O ZINC001220049986 804485400 /nfs/dbraw/zinc/48/54/00/804485400.db2.gz WWIMBZBQSUNMNO-KOLCDFICSA-N 2 2 284.404 0.203 20 0 CCADLP O=C(NC1(c2ccccn2)CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220137131 804509722 /nfs/dbraw/zinc/50/97/22/804509722.db2.gz SDPMDJVRHVSGKX-XHDPSFHLSA-N 2 2 272.352 0.138 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@@H]2C[C@@H](OC(C)(C)C)C[NH2+]2)C1 ZINC001220158563 804520140 /nfs/dbraw/zinc/52/01/40/804520140.db2.gz AZFJRGMVPJIPTI-OLZOCXBDSA-N 2 2 283.416 0.741 20 0 CCADLP Cc1ccc([C@H](C)NC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)nc1 ZINC001220266840 804554998 /nfs/dbraw/zinc/55/49/98/804554998.db2.gz WLPUDXFANHKEQZ-YWPYICTPSA-N 2 2 274.368 0.519 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC001220275460 804559075 /nfs/dbraw/zinc/55/90/75/804559075.db2.gz YTTCHSJJJJDBRA-CYBMUJFWSA-N 2 2 266.345 0.288 20 0 CCADLP Cn1cc(CCNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c2ccccc21 ZINC001220325676 804574165 /nfs/dbraw/zinc/57/41/65/804574165.db2.gz DLNKEMJSQNPJIC-KBPBESRZSA-N 2 2 286.379 0.384 20 0 CCADLP CC(C)(NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])c1cccc(F)c1 ZINC001220395137 804594127 /nfs/dbraw/zinc/59/41/27/804594127.db2.gz XXRXZSCJXDBXNL-RYUDHWBXSA-N 2 2 265.332 0.724 20 0 CCADLP [NH3+]C1(C(=O)N[C@H]2CCc3ccc(O)cc3C2)CC[NH2+]CC1 ZINC001220593143 804634411 /nfs/dbraw/zinc/63/44/11/804634411.db2.gz YPOAKNMPEZHDCC-ZDUSSCGKSA-N 2 2 289.379 0.447 20 0 CCADLP COc1cccc2[nH]cc(CNC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)c21 ZINC001220813154 804672504 /nfs/dbraw/zinc/67/25/04/804672504.db2.gz ZEMRLYBRDNDEDU-PWSUYJOCSA-N 2 2 288.351 0.482 20 0 CCADLP COCc1ccc(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)cc1 ZINC001220933975 804701960 /nfs/dbraw/zinc/70/19/60/804701960.db2.gz FVQRXKUJMQUEFE-AWEZNQCLSA-N 2 2 288.351 0.742 20 0 CCADLP CC[C@@H](NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)C(F)(F)F ZINC001220945156 804704705 /nfs/dbraw/zinc/70/47/05/804704705.db2.gz SENZXNGHOUSLER-HTQZYQBOSA-N 2 2 264.251 0.737 20 0 CCADLP CC1(C)C[C@@H](CNC(=O)C2([NH3+])CC[NH2+]CC2)CCO1 ZINC001220953398 804706666 /nfs/dbraw/zinc/70/66/66/804706666.db2.gz PKYVNEIAUDKEQH-NSHDSACASA-N 2 2 269.389 0.389 20 0 CCADLP [NH3+]C1(C(=O)NC[C@H]2CCc3ccccc32)CC[NH2+]CC1 ZINC001221100307 804730376 /nfs/dbraw/zinc/73/03/76/804730376.db2.gz HJGBNTDMEINYBX-CYBMUJFWSA-N 2 2 273.380 0.914 20 0 CCADLP Cn1ncc2c1cccc2CNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001221303792 804771118 /nfs/dbraw/zinc/77/11/18/804771118.db2.gz QAMRJNJMVZXFOF-ZDUSSCGKSA-N 2 2 298.350 0.483 20 0 CCADLP Cn1ncc2c1cccc2CNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221306529 804772572 /nfs/dbraw/zinc/77/25/72/804772572.db2.gz SSEPEVMTKHVFQH-MLGOLLRUSA-N 2 2 299.378 0.141 20 0 CCADLP O=C(NCc1cncc2ccccc21)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221331659 804778946 /nfs/dbraw/zinc/77/89/46/804778946.db2.gz DZHBKLWTCCHHQW-YOEHRIQHSA-N 2 2 296.374 0.803 20 0 CCADLP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1cnc(C[NH3+])s1 ZINC001221391416 804799341 /nfs/dbraw/zinc/79/93/41/804799341.db2.gz MREXOJZEVTYSRN-UHFFFAOYSA-N 3 2 298.416 0.279 20 0 CCADLP C[NH+](C)CC1CCC(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001221402005 804803869 /nfs/dbraw/zinc/80/38/69/804803869.db2.gz SDNKHNAQFWOXPY-YIZWMMSDSA-N 3 2 293.415 0.516 20 0 CCADLP C[NH+](C)CC1CCC(NC(=O)C2([NH3+])CC[NH2+]CC2)CC1 ZINC001221402572 804804128 /nfs/dbraw/zinc/80/41/28/804804128.db2.gz IKCRLVPIKDUUNC-UHFFFAOYSA-N 3 2 282.432 0.304 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001221407786 804808004 /nfs/dbraw/zinc/80/80/04/804808004.db2.gz MQFOKRUUCBJDEZ-XBFCOCLRSA-N 3 2 293.415 0.515 20 0 CCADLP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001221407786 804808008 /nfs/dbraw/zinc/80/80/08/804808008.db2.gz MQFOKRUUCBJDEZ-XBFCOCLRSA-N 3 2 293.415 0.515 20 0 CCADLP [NH3+][C@H](Cc1ccccc1)CN1CC[NH2+]C2(CC[NH2+]CC2)C1 ZINC001222085628 804863696 /nfs/dbraw/zinc/86/36/96/804863696.db2.gz FVCAADREHZCXNY-MRXNPFEDSA-N 3 2 288.439 0.584 20 0 CCADLP c1nscc1CN1CC[NH2+]C2(CC[NH2+]CC2)C1 ZINC001222099408 804867828 /nfs/dbraw/zinc/86/78/28/804867828.db2.gz FTJLJDRHWWDHIV-UHFFFAOYSA-N 2 2 252.387 0.671 20 0 CCADLP C(C[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1)[C@H]1C[NH2+]CCO1 ZINC001222385232 804897382 /nfs/dbraw/zinc/89/73/82/804897382.db2.gz IHBJVSCGMDWSAS-GJZGRUSLSA-N 3 2 267.417 0.973 20 0 CCADLP C(C[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1)[C@H]1C[NH2+]CCO1 ZINC001222385232 804897392 /nfs/dbraw/zinc/89/73/92/804897392.db2.gz IHBJVSCGMDWSAS-GJZGRUSLSA-N 3 2 267.417 0.973 20 0 CCADLP COCC[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001277124787 805226456 /nfs/dbraw/zinc/22/64/56/805226456.db2.gz BMPJMSFTCPUTQB-UHFFFAOYSA-N 2 2 266.345 0.158 20 0 CCADLP C[C@@H](CNC(=O)N[C@@H]1CCn2cc[nH+]c2C1)[NH+](C)C ZINC001226733788 805274845 /nfs/dbraw/zinc/27/48/45/805274845.db2.gz BBOYSJVAKWFYGB-WDEREUQCSA-N 2 2 265.361 0.447 20 0 CCADLP Cc1nonc1C[N@H+]1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001277384907 805530221 /nfs/dbraw/zinc/53/02/21/805530221.db2.gz ZDTBDCKZTMCROW-UHFFFAOYSA-N 2 2 293.415 0.837 20 0 CCADLP Cc1nonc1C[N@@H+]1CCCC2(CN(CC[NH+](C)C)C2)C1 ZINC001277384907 805530228 /nfs/dbraw/zinc/53/02/28/805530228.db2.gz ZDTBDCKZTMCROW-UHFFFAOYSA-N 2 2 293.415 0.837 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@H]1C[NH2+]C[C@H](C)C1 ZINC001245994378 807109763 /nfs/dbraw/zinc/10/97/63/807109763.db2.gz RHETXMGLSANCOR-MGPQQGTHSA-N 3 2 257.422 0.524 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1C[NH2+]C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001245984049 807106867 /nfs/dbraw/zinc/10/68/67/807106867.db2.gz PQCVCBTXKDKPDV-PQEBFOHHSA-N 3 2 291.439 0.753 20 0 CCADLP CCOC(=O)C1CCC(O)(C[NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC001245984363 807106954 /nfs/dbraw/zinc/10/69/54/807106954.db2.gz WRSWILSTUVCWMX-OWYJLGKBSA-N 2 2 284.400 0.812 20 0 CCADLP O[C@@H](COCc1ccco1)C[N@H+]1CCC[NH2+]CC1 ZINC001246016049 807117236 /nfs/dbraw/zinc/11/72/36/807117236.db2.gz YXFNUTQRGWGUMH-GFCCVEGCSA-N 2 2 254.330 0.452 20 0 CCADLP O[C@@H](COCc1ccco1)C[N@@H+]1CCC[NH2+]CC1 ZINC001246016049 807117230 /nfs/dbraw/zinc/11/72/30/807117230.db2.gz YXFNUTQRGWGUMH-GFCCVEGCSA-N 2 2 254.330 0.452 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN1CC[NH2+]CC(F)(F)C1 ZINC001246029743 807127061 /nfs/dbraw/zinc/12/70/61/807127061.db2.gz MGUCLYKZIMYXMF-UONOGXRCSA-N 2 2 299.365 0.458 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N[C@@H](C[NH3+])c2ccccc2)C[NH2+]1 ZINC001246075897 807142672 /nfs/dbraw/zinc/14/26/72/807142672.db2.gz MAGKNSWIVYFWBL-AGIUHOORSA-N 2 2 263.341 0.180 20 0 CCADLP F[C@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCC2(CC1)C[NH2+]CCO2 ZINC001246078344 807144219 /nfs/dbraw/zinc/14/42/19/807144219.db2.gz AJENUJKAETUOSJ-QPPOZKHWSA-N 3 2 271.380 0.577 20 0 CCADLP F[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001246091225 807149274 /nfs/dbraw/zinc/14/92/74/807149274.db2.gz HCRMCSMIOWCTHW-KKOKHZNYSA-N 2 2 268.340 0.446 20 0 CCADLP CCN1CC[C@@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1=O ZINC001246151267 807169003 /nfs/dbraw/zinc/16/90/03/807169003.db2.gz XHHZZBKIQCOMDD-KGLIPLIRSA-N 3 2 294.443 0.461 20 0 CCADLP c1ccc(C[NH2+]CC[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246165343 807173658 /nfs/dbraw/zinc/17/36/58/807173658.db2.gz HFTOVBJWGOYBEX-OAHLLOKOSA-N 3 2 274.412 0.460 20 0 CCADLP CC(C)[NH+](CC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(C)C ZINC001246181913 807179313 /nfs/dbraw/zinc/17/93/13/807179313.db2.gz SOYYORSBULTSMK-CQSZACIVSA-N 3 2 268.449 0.789 20 0 CCADLP COCCOCCOCCOCC[NH2+][C@H]1CCC[NH2+]C1 ZINC001246291235 807209978 /nfs/dbraw/zinc/20/99/78/807209978.db2.gz SJVJKLXZHFWHIR-AWEZNQCLSA-N 2 2 290.404 0.024 20 0 CCADLP O=C1CC[NH2+]C[C@H]1NC1CC[NH+](Cc2ccncc2)CC1 ZINC001246293148 807210008 /nfs/dbraw/zinc/21/00/08/807210008.db2.gz PAHHLJDLANHITN-OAHLLOKOSA-N 2 2 288.395 0.567 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@@H]1[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001246302243 807214384 /nfs/dbraw/zinc/21/43/84/807214384.db2.gz CCUBAWFRPKNHTE-WDMOLILDSA-N 2 2 250.317 0.463 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2-n2cnnn2)C[NH2+]1 ZINC001246320069 807220824 /nfs/dbraw/zinc/22/08/24/807220824.db2.gz ZIMCUPKMOBWWKN-YPMHNXCESA-N 2 2 272.356 0.892 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[NH2+]CCC2(C)C)CN1 ZINC001246323820 807220851 /nfs/dbraw/zinc/22/08/51/807220851.db2.gz CDSREYPIEKJGTD-AVGNSLFASA-N 2 2 283.416 0.648 20 0 CCADLP COC(=O)CC1([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)CCOCC1 ZINC001246330660 807223788 /nfs/dbraw/zinc/22/37/88/807223788.db2.gz XHAUSJADGGLSLK-NWDGAFQWSA-N 2 2 270.373 0.829 20 0 CCADLP CCOC(=O)[C@H](CC)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246332147 807224857 /nfs/dbraw/zinc/22/48/57/807224857.db2.gz ZYCBSICCMSPHGB-QWRGUYRKSA-N 2 2 255.362 0.012 20 0 CCADLP CCC[C@@]1(CN[C@@H]2C[NH2+][C@H](C(=O)OC)C2)CC[NH2+]1 ZINC001246456904 807255079 /nfs/dbraw/zinc/25/50/79/807255079.db2.gz PPHJVZJBWQMLGC-GVXVVHGQSA-N 2 2 255.362 0.012 20 0 CCADLP C[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](C3COC3)CC2)C[NH2+]1 ZINC001246465009 807257576 /nfs/dbraw/zinc/25/75/76/807257576.db2.gz HSPORXSOZYPHOF-GXTWGEPZSA-N 3 2 267.417 0.827 20 0 CCADLP C[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](C3COC3)CC2)CN1 ZINC001246465009 807257578 /nfs/dbraw/zinc/25/75/78/807257578.db2.gz HSPORXSOZYPHOF-GXTWGEPZSA-N 2 2 267.417 0.827 20 0 CCADLP C[C@@H]1CC[C@@H](NC[C@H]([NH3+])C(=O)OC(C)(C)C)C[NH2+]1 ZINC001246479363 807260617 /nfs/dbraw/zinc/26/06/17/807260617.db2.gz BGYNTWZKJYSEAC-MXWKQRLJSA-N 2 2 257.378 0.386 20 0 CCADLP CCOC(=O)[C@H]1CC[C@H]([N@@H+]2CCC[NH2+]CC2)CO1 ZINC001246525968 807273102 /nfs/dbraw/zinc/27/31/02/807273102.db2.gz UPYUGWBFRKSBKN-NWDGAFQWSA-N 2 2 256.346 0.392 20 0 CCADLP CCOC(=O)[C@H]1CC[C@H]([N@H+]2CCC[NH2+]CC2)CO1 ZINC001246525968 807273104 /nfs/dbraw/zinc/27/31/04/807273104.db2.gz UPYUGWBFRKSBKN-NWDGAFQWSA-N 2 2 256.346 0.392 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCN(c3cnccn3)CC2)CC[NH2+]1 ZINC001246536457 807277887 /nfs/dbraw/zinc/27/78/87/807277887.db2.gz FTDZEXADWSPQHS-CHWSQXEVSA-N 2 2 261.373 0.739 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@H]([N@@H+]2CCC[C@H]([NH3+])CC2)CN1 ZINC001246544788 807281006 /nfs/dbraw/zinc/28/10/06/807281006.db2.gz ZBUHOVYNADSCQV-AVGNSLFASA-N 2 2 283.416 0.872 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@H]([N@H+]2CCC[C@H]([NH3+])CC2)CN1 ZINC001246544788 807281009 /nfs/dbraw/zinc/28/10/09/807281009.db2.gz ZBUHOVYNADSCQV-AVGNSLFASA-N 2 2 283.416 0.872 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@@H+]([C@@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC001246555516 807286915 /nfs/dbraw/zinc/28/69/15/807286915.db2.gz BUAVTHXKXRWDLJ-UKRRQHHQSA-N 3 2 267.417 0.837 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@H+]([C@@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC001246555516 807286919 /nfs/dbraw/zinc/28/69/19/807286919.db2.gz BUAVTHXKXRWDLJ-UKRRQHHQSA-N 3 2 267.417 0.837 20 0 CCADLP [NH3+]C[C@]1(F)CCCC[N@@H+]([C@H]2CCOC3(C[NH2+]C3)C2)C1 ZINC001246581473 807303278 /nfs/dbraw/zinc/30/32/78/807303278.db2.gz PXCNKXYMNQQCHJ-QWHCGFSZSA-N 3 2 271.380 0.660 20 0 CCADLP [NH3+]C[C@]1(F)CCCC[N@H+]([C@H]2CCOC3(C[NH2+]C3)C2)C1 ZINC001246581473 807303287 /nfs/dbraw/zinc/30/32/87/807303287.db2.gz PXCNKXYMNQQCHJ-QWHCGFSZSA-N 3 2 271.380 0.660 20 0 CCADLP CC1(C[NH3+])C[NH+]([C@@H]2CCN[C@H](C(F)(F)F)C2)C1 ZINC001246599735 807317099 /nfs/dbraw/zinc/31/70/99/807317099.db2.gz QGDAPXZDXNURPL-BDAKNGLRSA-N 2 2 251.296 0.950 20 0 CCADLP CCOC(=O)[C@@H]1C[C@@H]([N@@H+]2CCC[C@]23CCC[NH2+]C3)CCN1 ZINC001246609731 807321959 /nfs/dbraw/zinc/32/19/59/807321959.db2.gz MYBLMUIPFZHWAZ-DZKIICNBSA-N 2 2 295.427 0.888 20 0 CCADLP CCOC(=O)[C@@H]1C[C@@H]([N@H+]2CCC[C@]23CCC[NH2+]C3)CCN1 ZINC001246609731 807321969 /nfs/dbraw/zinc/32/19/69/807321969.db2.gz MYBLMUIPFZHWAZ-DZKIICNBSA-N 2 2 295.427 0.888 20 0 CCADLP CC(=O)N1CCO[C@@H]2CC[N@@H+]([C@@H]3CC[C@@H](C)[NH2+]C3)CC[C@H]21 ZINC001246697482 807358363 /nfs/dbraw/zinc/35/83/63/807358363.db2.gz VFAKDQLPZPLNID-DTZQCDIJSA-N 2 2 295.427 0.839 20 0 CCADLP CC(=O)N1CCO[C@@H]2CC[N@H+]([C@@H]3CC[C@@H](C)[NH2+]C3)CC[C@H]21 ZINC001246697482 807358372 /nfs/dbraw/zinc/35/83/72/807358372.db2.gz VFAKDQLPZPLNID-DTZQCDIJSA-N 2 2 295.427 0.839 20 0 CCADLP COC(=O)C1(N)CC[NH+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246813437 807391423 /nfs/dbraw/zinc/39/14/23/807391423.db2.gz LNDTXKKEJPZMIN-FOSCPWQOSA-N 2 2 267.373 0.236 20 0 CCADLP COCC[N@H+](C1CC[NH2+]CC1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246836851 807400491 /nfs/dbraw/zinc/40/04/91/807400491.db2.gz PKRQEHRZUDBVGZ-JSGCOSHPSA-N 3 2 255.406 0.827 20 0 CCADLP COCC[N@@H+](C1CC[NH2+]CC1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246836851 807400493 /nfs/dbraw/zinc/40/04/93/807400493.db2.gz PKRQEHRZUDBVGZ-JSGCOSHPSA-N 3 2 255.406 0.827 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCN(CC[NH+]3CCCC3)CC2)CC[NH2+]1 ZINC001246857836 807409089 /nfs/dbraw/zinc/40/90/89/807409089.db2.gz IPGPRRWPSAIIDX-HZPDHXFCSA-N 3 2 280.460 0.840 20 0 CCADLP CN1CC2(CC1=O)CC[NH+]([C@@H]1CCC[NH2+]C1)CC2 ZINC001246922412 807429120 /nfs/dbraw/zinc/42/91/20/807429120.db2.gz LKHIZIOBSLJXFA-GFCCVEGCSA-N 2 2 251.374 0.683 20 0 CCADLP c1cc(N2CCC([N@@H+]3C[C@@H]4C[NH2+]C[C@H]43)CC2)cc[nH+]1 ZINC001246923808 807430448 /nfs/dbraw/zinc/43/04/48/807430448.db2.gz ZODKQWINRFZJCL-SWLSCSKDSA-N 3 2 258.369 0.954 20 0 CCADLP c1cc(N2CCC([N@H+]3C[C@@H]4C[NH2+]C[C@H]43)CC2)cc[nH+]1 ZINC001246923808 807430451 /nfs/dbraw/zinc/43/04/51/807430451.db2.gz ZODKQWINRFZJCL-SWLSCSKDSA-N 3 2 258.369 0.954 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+]([C@H]2C[C@@H]3[C@H](C2)C3(C)C)C[C@H]1[NH3+] ZINC001246933958 807433251 /nfs/dbraw/zinc/43/32/51/807433251.db2.gz UMLMEBXGZNKYEN-RMPHRYRLSA-N 2 2 252.358 0.853 20 0 CCADLP COC(=O)[C@@H]1C[N@H+]([C@H]2C[C@@H]3[C@H](C2)C3(C)C)C[C@H]1[NH3+] ZINC001246933958 807433255 /nfs/dbraw/zinc/43/32/55/807433255.db2.gz UMLMEBXGZNKYEN-RMPHRYRLSA-N 2 2 252.358 0.853 20 0 CCADLP CCOC1CCC([N@H+]2C[C@@H](C(=O)OC)[C@H]([NH3+])C2)CC1 ZINC001246935816 807433480 /nfs/dbraw/zinc/43/34/80/807433480.db2.gz YWOJDFGIADRVGN-FIYWTHMPSA-N 2 2 270.373 0.766 20 0 CCADLP CCOC1CCC([N@@H+]2C[C@@H](C(=O)OC)[C@H]([NH3+])C2)CC1 ZINC001246935816 807433484 /nfs/dbraw/zinc/43/34/84/807433484.db2.gz YWOJDFGIADRVGN-FIYWTHMPSA-N 2 2 270.373 0.766 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)O3)C[C@@H]1[NH3+] ZINC001246937248 807435648 /nfs/dbraw/zinc/43/56/48/807435648.db2.gz MDGQZMVRRMSIBU-YAXHFPQCSA-N 2 2 254.330 0.129 20 0 CCADLP COC(=O)[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)O3)C[C@@H]1[NH3+] ZINC001246937248 807435653 /nfs/dbraw/zinc/43/56/53/807435653.db2.gz MDGQZMVRRMSIBU-YAXHFPQCSA-N 2 2 254.330 0.129 20 0 CCADLP C1[NH2+]CC12C[C@H]([N@@H+]1CC[C@H]3[NH2+]CCC[C@@H]3C1)CCN2 ZINC001247016362 807452451 /nfs/dbraw/zinc/45/24/51/807452451.db2.gz UHDAXQCWRSNJDS-MGPQQGTHSA-N 3 2 264.417 0.154 20 0 CCADLP C1[NH2+]CC12C[C@H]([N@H+]1CC[C@H]3[NH2+]CCC[C@@H]3C1)CCN2 ZINC001247016362 807452455 /nfs/dbraw/zinc/45/24/55/807452455.db2.gz UHDAXQCWRSNJDS-MGPQQGTHSA-N 3 2 264.417 0.154 20 0 CCADLP [NH3+]C[C@@H](O)Cc1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001247501332 807463962 /nfs/dbraw/zinc/46/39/62/807463962.db2.gz YJZYOOGRDXZLAV-JTQLQIEISA-N 2 2 285.307 0.784 20 0 CCADLP Cc1cccc2[nH+]cc(NC[C@@H](O)C[NH+]3CCOCC3)n21 ZINC001251009008 807639588 /nfs/dbraw/zinc/63/95/88/807639588.db2.gz BROFCPQQVMJAPF-CYBMUJFWSA-N 2 2 290.367 0.748 20 0 CCADLP CCCC[NH+]1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC001251014165 807641055 /nfs/dbraw/zinc/64/10/55/807641055.db2.gz AKFFTCGWABQSAU-OAHLLOKOSA-N 2 2 285.432 0.097 20 0 CCADLP CONC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001251629148 807690899 /nfs/dbraw/zinc/69/08/99/807690899.db2.gz IQZXZDCMXNKTQT-UHFFFAOYSA-N 2 2 270.377 0.406 20 0 CCADLP C[C@H](CC[NH2+][C@@H]1CCCS(=O)(=O)CC1)[NH+](C)C ZINC000697848420 815144760 /nfs/dbraw/zinc/14/47/60/815144760.db2.gz MSDBALYTEKUDAX-VXGBXAGGSA-N 2 2 262.419 0.884 20 0 CCADLP CC(C)(O)C[N@@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001252351412 807809975 /nfs/dbraw/zinc/80/99/75/807809975.db2.gz HKQAHHSNNCDXPI-UHFFFAOYSA-N 2 2 290.371 0.500 20 0 CCADLP CC(C)(O)C[N@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001252351412 807809982 /nfs/dbraw/zinc/80/99/82/807809982.db2.gz HKQAHHSNNCDXPI-UHFFFAOYSA-N 2 2 290.371 0.500 20 0 CCADLP CCC[C@H](O)C[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001252782791 807956667 /nfs/dbraw/zinc/95/66/67/807956667.db2.gz UNTNITNACAHCIP-MELADBBJSA-N 2 2 256.390 0.800 20 0 CCADLP CCC[C@H](O)C[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001252782791 807956673 /nfs/dbraw/zinc/95/66/73/807956673.db2.gz UNTNITNACAHCIP-MELADBBJSA-N 2 2 256.390 0.800 20 0 CCADLP CCC[C@H](O)C[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001252782791 807956676 /nfs/dbraw/zinc/95/66/76/807956676.db2.gz UNTNITNACAHCIP-MELADBBJSA-N 2 2 256.390 0.800 20 0 CCADLP CCC[C@H](O)C[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001252782791 807956681 /nfs/dbraw/zinc/95/66/81/807956681.db2.gz UNTNITNACAHCIP-MELADBBJSA-N 2 2 256.390 0.800 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@@H](c2nc(C)no2)C1 ZINC001253188296 808024071 /nfs/dbraw/zinc/02/40/71/808024071.db2.gz VCFIZTNEGBBHMJ-CHWSQXEVSA-N 2 2 282.388 0.870 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CC[C@@H](c2nc(C)no2)C1 ZINC001253188296 808024078 /nfs/dbraw/zinc/02/40/78/808024078.db2.gz VCFIZTNEGBBHMJ-CHWSQXEVSA-N 2 2 282.388 0.870 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC001253195557 808027982 /nfs/dbraw/zinc/02/79/82/808027982.db2.gz RAYHPYCLPGSZAL-ZDUSSCGKSA-N 2 2 299.415 0.654 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+]Cc1ccccc1C(N)=O ZINC001253203563 808028806 /nfs/dbraw/zinc/02/88/06/808028806.db2.gz IASHDMFZIZYFPF-ZDUSSCGKSA-N 2 2 279.384 0.578 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]CC1CCS(=O)(=O)CC1 ZINC001253205834 808029236 /nfs/dbraw/zinc/02/92/36/808029236.db2.gz HXGRTAQDNWSDJC-CYBMUJFWSA-N 2 2 292.445 0.104 20 0 CCADLP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253404398 808058807 /nfs/dbraw/zinc/05/88/07/808058807.db2.gz VOHAXNDXUKFIDN-LBPRGKRZSA-N 3 2 254.378 0.530 20 0 CCADLP C[NH+]1CCC(CO)([NH2+]C[C@H](O)COC(C)(C)C)CC1 ZINC001253487034 808074759 /nfs/dbraw/zinc/07/47/59/808074759.db2.gz ZBAMKYKZHRWKMN-LBPRGKRZSA-N 2 2 274.405 0.209 20 0 CCADLP CC(C)(C)OC(=O)[C@@H](O)C[NH2+]CCCn1cc[nH+]c1 ZINC001253667729 808104812 /nfs/dbraw/zinc/10/48/12/808104812.db2.gz RWHOXTOYOUPRJF-NSHDSACASA-N 2 2 269.345 0.565 20 0 CCADLP CO[C@@H](C)C[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001101071533 815176794 /nfs/dbraw/zinc/17/67/94/815176794.db2.gz MFEMUFDNHYTXJX-HIFPTAJRSA-N 2 2 280.372 0.402 20 0 CCADLP C[NH+](C)Cc1cn(C[C@@H]2C[C@@]3(CO2)CCCC[NH2+]3)nn1 ZINC001254068445 808175921 /nfs/dbraw/zinc/17/59/21/808175921.db2.gz OROWRIDZZJHVTL-UONOGXRCSA-N 2 2 279.388 0.641 20 0 CCADLP C[NH+](C)Cc1cn(C[C@@H]2C[C@]3(CO2)CCC[NH2+]C3)nn1 ZINC001254069894 808176609 /nfs/dbraw/zinc/17/66/09/808176609.db2.gz XQYPWCMOEBABEP-UONOGXRCSA-N 2 2 279.388 0.498 20 0 CCADLP CCOC(=O)C1=C(O)CC[N@@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254519929 808253125 /nfs/dbraw/zinc/25/31/25/808253125.db2.gz LIHXHIXMYDYUMG-OLZOCXBDSA-N 2 2 282.384 0.925 20 0 CCADLP CCOC(=O)C1=C(O)CC[N@H+]([C@@H]2CCC[NH+](C)CC2)C1 ZINC001254519929 808253130 /nfs/dbraw/zinc/25/31/30/808253130.db2.gz LIHXHIXMYDYUMG-OLZOCXBDSA-N 2 2 282.384 0.925 20 0 CCADLP CCOC(=O)C1=C(O)CC[NH+]([C@@H]2CCC[N@H+](C)CC2)C1 ZINC001254519929 808253135 /nfs/dbraw/zinc/25/31/35/808253135.db2.gz LIHXHIXMYDYUMG-OLZOCXBDSA-N 2 2 282.384 0.925 20 0 CCADLP CCOC(=O)C1=C(O)CC[NH+]([C@@H]2CCC[N@@H+](C)CC2)C1 ZINC001254519929 808253140 /nfs/dbraw/zinc/25/31/40/808253140.db2.gz LIHXHIXMYDYUMG-OLZOCXBDSA-N 2 2 282.384 0.925 20 0 CCADLP C[N@@H+]1CCC[C@H]([NH+]2CCN3C(=O)COC[C@H]3C2)CC1 ZINC001254528559 808255355 /nfs/dbraw/zinc/25/53/55/808255355.db2.gz HEWBPEFDZUHTOV-QWHCGFSZSA-N 2 2 267.373 0.014 20 0 CCADLP C[N@H+]1CCC[C@H]([NH+]2CCN3C(=O)COC[C@H]3C2)CC1 ZINC001254528559 808255359 /nfs/dbraw/zinc/25/53/59/808255359.db2.gz HEWBPEFDZUHTOV-QWHCGFSZSA-N 2 2 267.373 0.014 20 0 CCADLP C[NH+]1CCC[C@H]([N@@H+]2CCN3C(=O)COC[C@H]3C2)CC1 ZINC001254528559 808255361 /nfs/dbraw/zinc/25/53/61/808255361.db2.gz HEWBPEFDZUHTOV-QWHCGFSZSA-N 2 2 267.373 0.014 20 0 CCADLP C[NH+]1CCC[C@H]([N@H+]2CCN3C(=O)COC[C@H]3C2)CC1 ZINC001254528559 808255367 /nfs/dbraw/zinc/25/53/67/808255367.db2.gz HEWBPEFDZUHTOV-QWHCGFSZSA-N 2 2 267.373 0.014 20 0 CCADLP O=c1[nH][nH]cc1CCC[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254837848 808283353 /nfs/dbraw/zinc/28/33/53/808283353.db2.gz WKDGOZTWJWCWOS-QWHCGFSZSA-N 2 2 264.373 0.572 20 0 CCADLP O=C1CC[C@@H](C[NH2+][C@H]2CC3CC[NH+](CC3)C2)CN1 ZINC001254836412 808283564 /nfs/dbraw/zinc/28/35/64/808283564.db2.gz ASAJYGXAVJKJJL-STQMWFEESA-N 2 2 251.374 0.587 20 0 CCADLP Cc1noc(CC[NH2+][C@H]2CC3CC[NH+](CC3)C2)n1 ZINC001254836987 808284391 /nfs/dbraw/zinc/28/43/91/808284391.db2.gz QSSSYWJOAVVUKQ-LBPRGKRZSA-N 2 2 250.346 0.994 20 0 CCADLP COC(=O)[C@@]12COC[C@@H]1C[N@@H+]([C@@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254855190 808289196 /nfs/dbraw/zinc/28/91/96/808289196.db2.gz LPZIWMNWOUAWTA-LZWOXQAQSA-N 2 2 294.395 0.592 20 0 CCADLP COC(=O)[C@@]12COC[C@@H]1C[N@H+]([C@@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254855190 808289202 /nfs/dbraw/zinc/28/92/02/808289202.db2.gz LPZIWMNWOUAWTA-LZWOXQAQSA-N 2 2 294.395 0.592 20 0 CCADLP COC[C@H](C)n1c[nH+]cc1CCNC(=O)CC[NH3+] ZINC001255562576 808402381 /nfs/dbraw/zinc/40/23/81/808402381.db2.gz DKXIPWCIBGDMEI-JTQLQIEISA-N 2 2 254.334 0.098 20 0 CCADLP COC[C@H](C)[N@@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001255571239 808403993 /nfs/dbraw/zinc/40/39/93/808403993.db2.gz LYSKKZUGEKOQEO-LBPRGKRZSA-N 2 2 290.371 0.764 20 0 CCADLP COC[C@H](C)[N@H+]1CCCn2nnc(Cn3cc[nH+]c3)c2C1 ZINC001255571239 808404001 /nfs/dbraw/zinc/40/40/01/808404001.db2.gz LYSKKZUGEKOQEO-LBPRGKRZSA-N 2 2 290.371 0.764 20 0 CCADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](CCC(=O)OC)C(N)=O ZINC001255951750 808441081 /nfs/dbraw/zinc/44/10/81/808441081.db2.gz AIFFDDCQFWLJSD-RYUDHWBXSA-N 2 2 287.404 0.504 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](C2CCN(C(=O)C(F)(F)F)CC2)CCO1 ZINC001255969608 808442266 /nfs/dbraw/zinc/44/22/66/808442266.db2.gz DGMDDIMXZCJOKX-SNVBAGLBSA-N 2 2 295.305 0.199 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](C2CCN(C(=O)C(F)(F)F)CC2)CCO1 ZINC001255969608 808442270 /nfs/dbraw/zinc/44/22/70/808442270.db2.gz DGMDDIMXZCJOKX-SNVBAGLBSA-N 2 2 295.305 0.199 20 0 CCADLP CCOC(=O)N1CC[C@H]([NH2+][C@]2(C[NH3+])CN3CCC2CC3)C1 ZINC001256020779 808451238 /nfs/dbraw/zinc/45/12/38/808451238.db2.gz QZRBPSWAALOSFK-DZGCQCFKSA-N 2 2 296.415 0.230 20 0 CCADLP OC[C@H]1CC[N@@H+](C2CC[NH+](C3CC3)CC2)C[C@H]1O ZINC001256072789 808466930 /nfs/dbraw/zinc/46/69/30/808466930.db2.gz HWTVLHYGGZJGSL-BXUZGUMPSA-N 2 2 254.374 0.288 20 0 CCADLP OC[C@H]1CC[N@H+](C2CC[NH+](C3CC3)CC2)C[C@H]1O ZINC001256072789 808466934 /nfs/dbraw/zinc/46/69/34/808466934.db2.gz HWTVLHYGGZJGSL-BXUZGUMPSA-N 2 2 254.374 0.288 20 0 CCADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2C1CC[NH+](C)CC1 ZINC001256207145 808478805 /nfs/dbraw/zinc/47/88/05/808478805.db2.gz DPCDGOFLZMBKHV-JKSUJKDBSA-N 3 2 280.460 0.791 20 0 CCADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2C1CC[NH+](C)CC1 ZINC001256207145 808478810 /nfs/dbraw/zinc/47/88/10/808478810.db2.gz DPCDGOFLZMBKHV-JKSUJKDBSA-N 3 2 280.460 0.791 20 0 CCADLP C[C@@H]1C[C@@H](NC(=[NH2+])N2CC[NH+](C)CC2)C[C@H](C)O1 ZINC001257078089 808588951 /nfs/dbraw/zinc/58/89/51/808588951.db2.gz VIESGWYTPXPGCO-ZSBIGDGJSA-N 2 2 254.378 0.714 20 0 CCADLP NC(=O)[C@@H](CO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001258136046 808657970 /nfs/dbraw/zinc/65/79/70/808657970.db2.gz YRPCSZLUXGGRBH-OAHLLOKOSA-N 2 2 291.395 0.129 20 0 CCADLP CCC[NH+]1CCC([NH2+][C@H]2COCCC23OCCO3)CC1 ZINC001258766461 808700227 /nfs/dbraw/zinc/70/02/27/808700227.db2.gz VBDHEJWYXXECMK-AWEZNQCLSA-N 2 2 284.400 0.982 20 0 CCADLP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](CO)C(=O)OC ZINC001258897662 808704805 /nfs/dbraw/zinc/70/48/05/808704805.db2.gz AUHCDIUMULZLHM-NWDGAFQWSA-N 2 2 260.378 0.620 20 0 CCADLP CNC(=O)CCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC001261544509 809013085 /nfs/dbraw/zinc/01/30/85/809013085.db2.gz UTPHDFPOJWWMDJ-UHFFFAOYSA-N 2 2 251.334 0.058 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCC[NH+]2CC=CC2)c[nH+]1 ZINC001262115599 809195213 /nfs/dbraw/zinc/19/52/13/809195213.db2.gz HCHVCYIYOURLCG-UHFFFAOYSA-N 2 2 262.357 0.915 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)NCc2cccc(F)n2)CC1 ZINC001262579008 809354217 /nfs/dbraw/zinc/35/42/17/809354217.db2.gz DXFRMUAOFULAGL-UHFFFAOYSA-N 2 2 295.362 0.443 20 0 CCADLP C[NH2+]CCCCC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC001263097898 809441509 /nfs/dbraw/zinc/44/15/09/809441509.db2.gz MCOALYRUZLMYML-LBPRGKRZSA-N 2 2 257.378 0.213 20 0 CCADLP C[NH2+]CCCCC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC001263097898 809441515 /nfs/dbraw/zinc/44/15/15/809441515.db2.gz MCOALYRUZLMYML-LBPRGKRZSA-N 2 2 257.378 0.213 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC001263194505 809476614 /nfs/dbraw/zinc/47/66/14/809476614.db2.gz MTWGPYYQGMTWDL-MWLCHTKSSA-N 2 2 250.346 0.784 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC001263194505 809476618 /nfs/dbraw/zinc/47/66/18/809476618.db2.gz MTWGPYYQGMTWDL-MWLCHTKSSA-N 2 2 250.346 0.784 20 0 CCADLP CC1(C)CC[N@H+](CCNC(=O)C[C@@H]([NH3+])C(F)F)C1 ZINC001263247827 809493923 /nfs/dbraw/zinc/49/39/23/809493923.db2.gz KLQBBDDQCGQJOY-SECBINFHSA-N 2 2 263.332 0.817 20 0 CCADLP CC1(C)CC[N@@H+](CCNC(=O)C[C@@H]([NH3+])C(F)F)C1 ZINC001263247827 809493927 /nfs/dbraw/zinc/49/39/27/809493927.db2.gz KLQBBDDQCGQJOY-SECBINFHSA-N 2 2 263.332 0.817 20 0 CCADLP COc1ccccc1OC[C@H](O)C[NH2+]CC1C[NH+](C)C1 ZINC000379440069 809512906 /nfs/dbraw/zinc/51/29/06/809512906.db2.gz OKPCTBCUQYBGHX-CYBMUJFWSA-N 2 2 280.368 0.586 20 0 CCADLP CCOCCC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001265297814 809750516 /nfs/dbraw/zinc/75/05/16/809750516.db2.gz YGFRVIKZUIXWGM-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP CCOCCC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001265297814 809750518 /nfs/dbraw/zinc/75/05/18/809750518.db2.gz YGFRVIKZUIXWGM-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP CCOCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001265792856 809854458 /nfs/dbraw/zinc/85/44/58/809854458.db2.gz WLDUMPOVXINTRO-QWHCGFSZSA-N 2 2 294.399 0.576 20 0 CCADLP CC(C)[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)C[C@@H](C)O ZINC001267511484 811388553 /nfs/dbraw/zinc/38/85/53/811388553.db2.gz MYBLFYWHCZOHCD-GFCCVEGCSA-N 2 2 282.388 0.550 20 0 CCADLP CC(C)[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)C[C@@H](C)O ZINC001267511484 811388558 /nfs/dbraw/zinc/38/85/58/811388558.db2.gz MYBLFYWHCZOHCD-GFCCVEGCSA-N 2 2 282.388 0.550 20 0 CCADLP CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001077170330 815453375 /nfs/dbraw/zinc/45/33/75/815453375.db2.gz YALNCYGZHSZDPN-HBJVGIJOSA-N 2 2 292.383 0.475 20 0 CCADLP COCCC[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001267970369 811905323 /nfs/dbraw/zinc/90/53/23/811905323.db2.gz PVTVFXPHXKJUGF-CYBMUJFWSA-N 2 2 294.399 0.580 20 0 CCADLP C[NH+](C)Cc1csc(CNC[C@H](O)C[N@H+](C)C2CC2)n1 ZINC000722382904 812228547 /nfs/dbraw/zinc/22/85/47/812228547.db2.gz NRQJIQXUYSSNAH-ZDUSSCGKSA-N 2 2 298.456 0.749 20 0 CCADLP C[NH+](C)Cc1csc(CNC[C@H](O)C[N@@H+](C)C2CC2)n1 ZINC000722382904 812228553 /nfs/dbraw/zinc/22/85/53/812228553.db2.gz NRQJIQXUYSSNAH-ZDUSSCGKSA-N 2 2 298.456 0.749 20 0 CCADLP O[C@@H](C[NH2+]CCCCn1cc[nH+]c1)C1(O)CCC1 ZINC000905110455 815510493 /nfs/dbraw/zinc/51/04/93/815510493.db2.gz KLJIECDJHSALOY-LBPRGKRZSA-N 2 2 253.346 0.529 20 0 CCADLP CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001268150171 812307998 /nfs/dbraw/zinc/30/79/98/812307998.db2.gz KQMRSBIMWPFWAK-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268150171 812308008 /nfs/dbraw/zinc/30/80/08/812308008.db2.gz KQMRSBIMWPFWAK-UONOGXRCSA-N 2 2 283.416 0.698 20 0 CCADLP COc1cccc(C(=O)N2CCC([NH2+][C@@H]3C[C@H]3[NH3+])CC2)c1 ZINC001167856347 812316496 /nfs/dbraw/zinc/31/64/96/812316496.db2.gz WLCGNGSPHJQMMP-HUUCEWRRSA-N 2 2 289.379 0.989 20 0 CCADLP Cc1nc(N[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cc[nH+]1 ZINC001058904729 812320913 /nfs/dbraw/zinc/32/09/13/812320913.db2.gz GZTWKAVRCWWABQ-STQMWFEESA-N 2 2 289.383 0.750 20 0 CCADLP Cc1nc(N[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cc[nH+]1 ZINC001058904729 812320922 /nfs/dbraw/zinc/32/09/22/812320922.db2.gz GZTWKAVRCWWABQ-STQMWFEESA-N 2 2 289.383 0.750 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001038935752 812373461 /nfs/dbraw/zinc/37/34/61/812373461.db2.gz PVGGBAJKJWGUDP-NWDGAFQWSA-N 2 2 292.383 0.333 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC001038935752 812373470 /nfs/dbraw/zinc/37/34/70/812373470.db2.gz PVGGBAJKJWGUDP-NWDGAFQWSA-N 2 2 292.383 0.333 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CCCOC)C1 ZINC001268317115 812481026 /nfs/dbraw/zinc/48/10/26/812481026.db2.gz DIQKHYNQQRHOKG-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CCCOC)C1 ZINC001268317115 812481033 /nfs/dbraw/zinc/48/10/33/812481033.db2.gz DIQKHYNQQRHOKG-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@H]([NH3+])[C@H]1C[N@H+](C[C@H](O)CC2CCCC2)CCO1 ZINC000300071860 812505405 /nfs/dbraw/zinc/50/54/05/812505405.db2.gz FNKNVUPGVOUEGC-IACUBPJLSA-N 2 2 256.390 0.976 20 0 CCADLP C[C@H]([NH3+])[C@H]1C[N@@H+](C[C@H](O)CC2CCCC2)CCO1 ZINC000300071860 812505407 /nfs/dbraw/zinc/50/54/07/812505407.db2.gz FNKNVUPGVOUEGC-IACUBPJLSA-N 2 2 256.390 0.976 20 0 CCADLP Cc1nocc1C[NH2+]CC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001268401567 812547423 /nfs/dbraw/zinc/54/74/23/812547423.db2.gz BVJPNEMJPXBJIE-JTQLQIEISA-N 2 2 291.355 0.933 20 0 CCADLP C[C@H](CC[NH2+]CC1CC1)NC(=O)Cn1cc[nH+]c1 ZINC001268431281 812563235 /nfs/dbraw/zinc/56/32/35/812563235.db2.gz NAUOIRFVIWFJIE-LLVKDONJSA-N 2 2 250.346 0.778 20 0 CCADLP CCOCCC[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149130387 812588411 /nfs/dbraw/zinc/58/84/11/812588411.db2.gz NWLRFVDFLANCLA-UHFFFAOYSA-N 2 2 268.361 0.393 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2ccon2)C1 ZINC001028313871 812610197 /nfs/dbraw/zinc/61/01/97/812610197.db2.gz CIMMZBBSDVGJEU-OCCSQVGLSA-N 2 2 292.383 0.707 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2ccon2)C1 ZINC001028313871 812610204 /nfs/dbraw/zinc/61/02/04/812610204.db2.gz CIMMZBBSDVGJEU-OCCSQVGLSA-N 2 2 292.383 0.707 20 0 CCADLP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccon2)C1 ZINC001028313871 812610211 /nfs/dbraw/zinc/61/02/11/812610211.db2.gz CIMMZBBSDVGJEU-OCCSQVGLSA-N 2 2 292.383 0.707 20 0 CCADLP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccon2)C1 ZINC001028313871 812610212 /nfs/dbraw/zinc/61/02/12/812610212.db2.gz CIMMZBBSDVGJEU-OCCSQVGLSA-N 2 2 292.383 0.707 20 0 CCADLP Cc1cnc(C[NH2+]C/C=C/CNC(=O)C[NH+]2CCCC2)o1 ZINC001268624636 812952919 /nfs/dbraw/zinc/95/29/19/812952919.db2.gz DVGFCCFLXISGNP-NSCUHMNNSA-N 2 2 292.383 0.841 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC/C=C\C[NH2+]C[C@H]1CCCOC1 ZINC001268635031 812957660 /nfs/dbraw/zinc/95/76/60/812957660.db2.gz WBHTTXRTYAFVBH-DDGIKZQJSA-N 2 2 292.383 0.572 20 0 CCADLP C[C@H](C[NH2+]CC[C@H]1CCCO1)NC(=O)Cn1cc[nH+]c1 ZINC001268675811 812996667 /nfs/dbraw/zinc/99/66/67/812996667.db2.gz HCSFEBVKAWANAO-CHWSQXEVSA-N 2 2 280.372 0.547 20 0 CCADLP C[C@H](C[N@H+](C)CCO)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001268748816 813059753 /nfs/dbraw/zinc/05/97/53/813059753.db2.gz LSJVLLVJIYZCOW-VXGBXAGGSA-N 2 2 268.361 0.263 20 0 CCADLP C[C@H](C[N@@H+](C)CCO)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001268748816 813059757 /nfs/dbraw/zinc/05/97/57/813059757.db2.gz LSJVLLVJIYZCOW-VXGBXAGGSA-N 2 2 268.361 0.263 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[N@H+](C)CCF ZINC001268757290 813070666 /nfs/dbraw/zinc/07/06/66/813070666.db2.gz RKDPVEKKPGCQGR-JTQLQIEISA-N 2 2 256.325 0.598 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[N@@H+](C)CCF ZINC001268757290 813070673 /nfs/dbraw/zinc/07/06/73/813070673.db2.gz RKDPVEKKPGCQGR-JTQLQIEISA-N 2 2 256.325 0.598 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC1C[NH+](CCC2CC2)C1 ZINC001268891595 813135375 /nfs/dbraw/zinc/13/53/75/813135375.db2.gz FFHHOFKTXRLNJQ-UHFFFAOYSA-N 2 2 262.357 0.800 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCCO ZINC001038409168 813553097 /nfs/dbraw/zinc/55/30/97/813553097.db2.gz NJDXBYTZJLFHJC-QWHCGFSZSA-N 2 2 269.389 0.044 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCCO ZINC001038409168 813553100 /nfs/dbraw/zinc/55/31/00/813553100.db2.gz NJDXBYTZJLFHJC-QWHCGFSZSA-N 2 2 269.389 0.044 20 0 CCADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCCO ZINC001038409168 813553103 /nfs/dbraw/zinc/55/31/03/813553103.db2.gz NJDXBYTZJLFHJC-QWHCGFSZSA-N 2 2 269.389 0.044 20 0 CCADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCCO ZINC001038409168 813553106 /nfs/dbraw/zinc/55/31/06/813553106.db2.gz NJDXBYTZJLFHJC-QWHCGFSZSA-N 2 2 269.389 0.044 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@@H]1C[NH2+]CCF ZINC001270098117 813634398 /nfs/dbraw/zinc/63/43/98/813634398.db2.gz LFXWUCVRDLPJDC-GFCCVEGCSA-N 2 2 282.363 0.903 20 0 CCADLP C[NH+]1CC2(CN(C(=O)[C@H]3CCCc4c[nH+]cn43)C2)C1 ZINC001270384847 813741464 /nfs/dbraw/zinc/74/14/64/813741464.db2.gz ZNLHVZJRCCOOIK-GFCCVEGCSA-N 2 2 260.341 0.535 20 0 CCADLP C[C@H](C(=O)N1CCC[C@@]2(C1)C[N@H+](C)CCO2)n1cc[nH+]c1 ZINC001270391830 813745116 /nfs/dbraw/zinc/74/51/16/813745116.db2.gz XGQBLNXCXDZUPJ-HIFRSBDPSA-N 2 2 292.383 0.767 20 0 CCADLP C[C@H](C(=O)N1CCC[C@@]2(C1)C[N@@H+](C)CCO2)n1cc[nH+]c1 ZINC001270391830 813745121 /nfs/dbraw/zinc/74/51/21/813745121.db2.gz XGQBLNXCXDZUPJ-HIFRSBDPSA-N 2 2 292.383 0.767 20 0 CCADLP C[NH+](C)CCN1CC2(C1)CN(C(=O)CCc1[nH]cc[nH+]1)C2 ZINC001270462785 813772406 /nfs/dbraw/zinc/77/24/06/813772406.db2.gz NNGBSSUBDWXLMM-UHFFFAOYSA-N 2 2 291.399 0.048 20 0 CCADLP C[C@H]1NC=C2C(=O)OCCC2=C1C[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001204764367 814168313 /nfs/dbraw/zinc/16/83/13/814168313.db2.gz XXXNBNAORSRMQG-MEBBXXQBSA-N 2 2 277.368 0.529 20 0 CCADLP C[C@H]1NC=C2C(=O)OCCC2=C1C[N@H+]1CC[C@@](C)([NH3+])C1 ZINC001204764367 814168317 /nfs/dbraw/zinc/16/83/17/814168317.db2.gz XXXNBNAORSRMQG-MEBBXXQBSA-N 2 2 277.368 0.529 20 0 CCADLP C[C@@H](C(=O)N1C[C@@H]2OCC[N@H+](C3CCCC3)[C@H]2C1)[NH+](C)C ZINC001271147355 814209301 /nfs/dbraw/zinc/20/93/01/814209301.db2.gz MEXXQTQCUQLIKI-QEJZJMRPSA-N 2 2 295.427 0.791 20 0 CCADLP C[C@@H](C(=O)N1C[C@@H]2OCC[N@@H+](C3CCCC3)[C@H]2C1)[NH+](C)C ZINC001271147355 814209306 /nfs/dbraw/zinc/20/93/06/814209306.db2.gz MEXXQTQCUQLIKI-QEJZJMRPSA-N 2 2 295.427 0.791 20 0 CCADLP COCC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001075866722 814597311 /nfs/dbraw/zinc/59/73/11/814597311.db2.gz PJUNRXLKZNWFHA-GXTWGEPZSA-N 2 2 292.383 0.521 20 0 CCADLP COCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001075866722 814597315 /nfs/dbraw/zinc/59/73/15/814597315.db2.gz PJUNRXLKZNWFHA-GXTWGEPZSA-N 2 2 292.383 0.521 20 0 CCADLP COCC[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001075866722 814597320 /nfs/dbraw/zinc/59/73/20/814597320.db2.gz PJUNRXLKZNWFHA-GXTWGEPZSA-N 2 2 292.383 0.521 20 0 CCADLP COCC[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001075866722 814597324 /nfs/dbraw/zinc/59/73/24/814597324.db2.gz PJUNRXLKZNWFHA-GXTWGEPZSA-N 2 2 292.383 0.521 20 0 CCADLP CC(=O)NCC[NH+]1CCC([NH2+]CCC[C@@H](C)O)CC1 ZINC001271898328 814623324 /nfs/dbraw/zinc/62/33/24/814623324.db2.gz FTYXEEAYSFUGJV-GFCCVEGCSA-N 2 2 271.405 0.338 20 0 CCADLP CC(C)[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]C[C@@H](C)O ZINC001271902114 814625795 /nfs/dbraw/zinc/62/57/95/814625795.db2.gz PSIBLDNPMGOOGZ-ZYHUDNBSSA-N 2 2 268.361 0.063 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H]1CCCCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001088404987 814675276 /nfs/dbraw/zinc/67/52/76/814675276.db2.gz LWIFEGBKSFKOFL-CHWSQXEVSA-N 2 2 294.399 0.694 20 0 CCADLP Cc1nonc1C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127065922 815623210 /nfs/dbraw/zinc/62/32/10/815623210.db2.gz HLFLIUQUTHRRFU-ZDUSSCGKSA-N 2 2 295.387 0.457 20 0 CCADLP Cc1nonc1C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127065922 815623211 /nfs/dbraw/zinc/62/32/11/815623211.db2.gz HLFLIUQUTHRRFU-ZDUSSCGKSA-N 2 2 295.387 0.457 20 0 CCADLP CO[C@H](C[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1)C1CCC1 ZINC001030161832 815853527 /nfs/dbraw/zinc/85/35/27/815853527.db2.gz QQCHBXDYSVHCHR-LSDHHAIUSA-N 2 2 295.427 0.696 20 0 CCADLP CO[C@H](C[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1)C1CCC1 ZINC001030161832 815853528 /nfs/dbraw/zinc/85/35/28/815853528.db2.gz QQCHBXDYSVHCHR-LSDHHAIUSA-N 2 2 295.427 0.696 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+](CCCC3CCC3)C2)C1 ZINC001030183291 815873147 /nfs/dbraw/zinc/87/31/47/815873147.db2.gz QPBCKSLQKFUDJO-OAHLLOKOSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)NC2C[NH+](CCCC3CCC3)C2)C1 ZINC001030183291 815873163 /nfs/dbraw/zinc/87/31/63/815873163.db2.gz QPBCKSLQKFUDJO-OAHLLOKOSA-N 2 2 295.427 0.698 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001030301074 815966091 /nfs/dbraw/zinc/96/60/91/815966091.db2.gz CEYHKRDNXRVOKH-OCCSQVGLSA-N 2 2 283.416 0.695 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001030301074 815966094 /nfs/dbraw/zinc/96/60/94/815966094.db2.gz CEYHKRDNXRVOKH-OCCSQVGLSA-N 2 2 283.416 0.695 20 0 CCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001030302251 815967335 /nfs/dbraw/zinc/96/73/35/815967335.db2.gz ZCMBISQZYYQKEE-YPMHNXCESA-N 2 2 269.389 0.040 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001030302251 815967342 /nfs/dbraw/zinc/96/73/42/815967342.db2.gz ZCMBISQZYYQKEE-YPMHNXCESA-N 2 2 269.389 0.040 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001030336755 815982500 /nfs/dbraw/zinc/98/25/00/815982500.db2.gz RIAYBMBIQVILEX-DMDPSCGWSA-N 2 2 269.389 0.162 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001030336755 815982504 /nfs/dbraw/zinc/98/25/04/815982504.db2.gz RIAYBMBIQVILEX-DMDPSCGWSA-N 2 2 269.389 0.162 20 0 CCADLP CC(C)=CC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001030346018 815985661 /nfs/dbraw/zinc/98/56/61/815985661.db2.gz OFRQVAXCKDASEN-GJZGRUSLSA-N 2 2 293.411 0.616 20 0 CCADLP CC(C)=CC[NH+]1CC(NC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001030346018 815985662 /nfs/dbraw/zinc/98/56/62/815985662.db2.gz OFRQVAXCKDASEN-GJZGRUSLSA-N 2 2 293.411 0.616 20 0 CCADLP COCC[NH+]1CC(NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001030442630 816041624 /nfs/dbraw/zinc/04/16/24/816041624.db2.gz ZXPMIDDTQNWALW-CQSZACIVSA-N 2 2 283.416 0.696 20 0 CCADLP COCC[NH+]1CC(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001030442630 816041630 /nfs/dbraw/zinc/04/16/30/816041630.db2.gz ZXPMIDDTQNWALW-CQSZACIVSA-N 2 2 283.416 0.696 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001030513654 816078761 /nfs/dbraw/zinc/07/87/61/816078761.db2.gz PJPKUAVRNFXZDU-ZDUSSCGKSA-N 2 2 295.427 0.698 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001030532090 816089810 /nfs/dbraw/zinc/08/98/10/816089810.db2.gz FFZMIMXFZYPDMJ-WCQYABFASA-N 2 2 269.389 0.306 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001030532090 816089812 /nfs/dbraw/zinc/08/98/12/816089812.db2.gz FFZMIMXFZYPDMJ-WCQYABFASA-N 2 2 269.389 0.306 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001030594863 816132734 /nfs/dbraw/zinc/13/27/34/816132734.db2.gz SNOGJKLTRMLNGK-GXTWGEPZSA-N 2 2 283.416 0.288 20 0 CCADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001030594863 816132736 /nfs/dbraw/zinc/13/27/36/816132736.db2.gz SNOGJKLTRMLNGK-GXTWGEPZSA-N 2 2 283.416 0.288 20 0 CCADLP CC[C@@H](C[NH+]1CC(NC(=O)C23CCC[NH+]2CCC3)C1)OC ZINC001030607753 816143437 /nfs/dbraw/zinc/14/34/37/816143437.db2.gz OHAXBONYDUEUNV-AWEZNQCLSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001106064990 816144467 /nfs/dbraw/zinc/14/44/67/816144467.db2.gz MDTYWHHECWEPCY-JHJVBQTASA-N 2 2 294.399 0.407 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CCF ZINC001106065402 816144883 /nfs/dbraw/zinc/14/48/83/816144883.db2.gz XWVUBFQKZADNFT-VXGBXAGGSA-N 2 2 282.363 0.996 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001089005888 816210641 /nfs/dbraw/zinc/21/06/41/816210641.db2.gz DLEOZCLYKICXAB-RTXFEEFZSA-N 2 2 294.399 0.875 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001089005888 816210643 /nfs/dbraw/zinc/21/06/43/816210643.db2.gz DLEOZCLYKICXAB-RTXFEEFZSA-N 2 2 294.399 0.875 20 0 CCADLP CC[C@@H](C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C)OC ZINC001089074193 816234766 /nfs/dbraw/zinc/23/47/66/816234766.db2.gz MAFMMDFPJLJDRP-RDBSUJKOSA-N 2 2 294.399 0.887 20 0 CCADLP CC[C@@H](C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C)OC ZINC001089074193 816234772 /nfs/dbraw/zinc/23/47/72/816234772.db2.gz MAFMMDFPJLJDRP-RDBSUJKOSA-N 2 2 294.399 0.887 20 0 CCADLP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cocn1 ZINC001272378065 816375584 /nfs/dbraw/zinc/37/55/84/816375584.db2.gz NDXVVATUHPVYHM-ZIAGYGMSSA-N 2 2 292.383 0.802 20 0 CCADLP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cocn1 ZINC001272378065 816375591 /nfs/dbraw/zinc/37/55/91/816375591.db2.gz NDXVVATUHPVYHM-ZIAGYGMSSA-N 2 2 292.383 0.802 20 0 CCADLP C[C@@H]1CCC[N@@H+]1CC(=O)NC1CN(Cc2c[nH+]cn2C)C1 ZINC001030954531 816496425 /nfs/dbraw/zinc/49/64/25/816496425.db2.gz XBBYIJIHBKBQMG-GFCCVEGCSA-N 2 2 291.399 0.205 20 0 CCADLP C[C@@H]1CCC[N@H+]1CC(=O)NC1CN(Cc2c[nH+]cn2C)C1 ZINC001030954531 816496432 /nfs/dbraw/zinc/49/64/32/816496432.db2.gz XBBYIJIHBKBQMG-GFCCVEGCSA-N 2 2 291.399 0.205 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001030958337 816503146 /nfs/dbraw/zinc/50/31/46/816503146.db2.gz IWDKODPUTAQVJN-VXGBXAGGSA-N 2 2 269.389 0.164 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001030958337 816503149 /nfs/dbraw/zinc/50/31/49/816503149.db2.gz IWDKODPUTAQVJN-VXGBXAGGSA-N 2 2 269.389 0.164 20 0 CCADLP CO[C@@H]1C[N@@H+](C(C)C)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212198569 816612012 /nfs/dbraw/zinc/61/20/12/816612012.db2.gz GPKSSHUSYHBQHB-VXGBXAGGSA-N 2 2 280.372 0.566 20 0 CCADLP CO[C@@H]1C[N@H+](C(C)C)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212198569 816612015 /nfs/dbraw/zinc/61/20/15/816612015.db2.gz GPKSSHUSYHBQHB-VXGBXAGGSA-N 2 2 280.372 0.566 20 0 CCADLP CC(C)=CC[NH+]1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001031263720 816914135 /nfs/dbraw/zinc/91/41/35/816914135.db2.gz XJONFDWVHIUJEZ-UHFFFAOYSA-N 2 2 263.385 0.849 20 0 CCADLP CC[C@@H](C)C[NH+]1CC(NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001031413889 817039668 /nfs/dbraw/zinc/03/96/68/817039668.db2.gz CFHBMSSNOHRCOT-OCCSQVGLSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@@H](C)C[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001031413889 817039677 /nfs/dbraw/zinc/03/96/77/817039677.db2.gz CFHBMSSNOHRCOT-OCCSQVGLSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H](O)C[NH+]1CC(NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001031437798 817054202 /nfs/dbraw/zinc/05/42/02/817054202.db2.gz MISCIVICYYONIA-LBPRGKRZSA-N 2 2 291.395 0.543 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001031439746 817057276 /nfs/dbraw/zinc/05/72/76/817057276.db2.gz JXAWXXYKMQOHIR-CYBMUJFWSA-N 2 2 269.389 0.044 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CCCO)C1 ZINC001031439746 817057284 /nfs/dbraw/zinc/05/72/84/817057284.db2.gz JXAWXXYKMQOHIR-CYBMUJFWSA-N 2 2 269.389 0.044 20 0 CCADLP CC1(C)C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@H+](CCO)C1 ZINC001089528691 817180429 /nfs/dbraw/zinc/18/04/29/817180429.db2.gz MKQNDNBWFZYHFT-GFCCVEGCSA-N 2 2 294.399 0.551 20 0 CCADLP CC1(C)C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@@H+](CCO)C1 ZINC001089528691 817180433 /nfs/dbraw/zinc/18/04/33/817180433.db2.gz MKQNDNBWFZYHFT-GFCCVEGCSA-N 2 2 294.399 0.551 20 0 CCADLP CC[NH+]1CC(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001031779132 817359508 /nfs/dbraw/zinc/35/95/08/817359508.db2.gz KSUIBXIMONBCGD-GFCCVEGCSA-N 2 2 262.357 0.513 20 0 CCADLP O=C(NCC1C[NH+](CC2CC2)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001031783892 817364908 /nfs/dbraw/zinc/36/49/08/817364908.db2.gz IOBPCZCEMQDGSK-CQSZACIVSA-N 2 2 288.395 0.904 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)o1 ZINC001127643564 817414160 /nfs/dbraw/zinc/41/41/60/817414160.db2.gz AQFGSKWMJKGARP-CKYFFXLPSA-N 2 2 295.387 0.485 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)o1 ZINC001127643564 817414165 /nfs/dbraw/zinc/41/41/65/817414165.db2.gz AQFGSKWMJKGARP-CKYFFXLPSA-N 2 2 295.387 0.485 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001031980440 817518227 /nfs/dbraw/zinc/51/82/27/817518227.db2.gz RCOMWJCIXCRGBM-ZYHUDNBSSA-N 2 2 257.353 0.202 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001031980440 817518234 /nfs/dbraw/zinc/51/82/34/817518234.db2.gz RCOMWJCIXCRGBM-ZYHUDNBSSA-N 2 2 257.353 0.202 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccns3)C2)C1 ZINC001032185735 817683788 /nfs/dbraw/zinc/68/37/88/817683788.db2.gz BMHCJMCNCOEOIZ-GFCCVEGCSA-N 2 2 294.424 0.643 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccns3)C2)C1 ZINC001032185735 817683791 /nfs/dbraw/zinc/68/37/91/817683791.db2.gz BMHCJMCNCOEOIZ-GFCCVEGCSA-N 2 2 294.424 0.643 20 0 CCADLP CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001032332016 817888329 /nfs/dbraw/zinc/88/83/29/817888329.db2.gz OZEBZGHBFZGKEZ-AVGNSLFASA-N 2 2 267.373 0.012 20 0 CCADLP CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001032332016 817888340 /nfs/dbraw/zinc/88/83/40/817888340.db2.gz OZEBZGHBFZGKEZ-AVGNSLFASA-N 2 2 267.373 0.012 20 0 CCADLP CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001032332016 817888350 /nfs/dbraw/zinc/88/83/50/817888350.db2.gz OZEBZGHBFZGKEZ-AVGNSLFASA-N 2 2 267.373 0.012 20 0 CCADLP CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001032332016 817888359 /nfs/dbraw/zinc/88/83/59/817888359.db2.gz OZEBZGHBFZGKEZ-AVGNSLFASA-N 2 2 267.373 0.012 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC1 ZINC001032815184 818036960 /nfs/dbraw/zinc/03/69/60/818036960.db2.gz ICESJLUONCBXSS-STQMWFEESA-N 2 2 260.341 0.578 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CC1 ZINC001032815184 818036967 /nfs/dbraw/zinc/03/69/67/818036967.db2.gz ICESJLUONCBXSS-STQMWFEESA-N 2 2 260.341 0.578 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+]CCF)C12CCC2 ZINC001078735920 818038528 /nfs/dbraw/zinc/03/85/28/818038528.db2.gz AQZCFKFNZCMYAG-RYUDHWBXSA-N 2 2 280.347 0.939 20 0 CCADLP CC(C)=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001032971867 818396601 /nfs/dbraw/zinc/39/66/01/818396601.db2.gz AECUKGKFYIZWHX-GJZGRUSLSA-N 2 2 295.427 0.816 20 0 CCADLP CC(C)=CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001032971867 818396604 /nfs/dbraw/zinc/39/66/04/818396604.db2.gz AECUKGKFYIZWHX-GJZGRUSLSA-N 2 2 295.427 0.816 20 0 CCADLP CC(C)=CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001032971867 818396610 /nfs/dbraw/zinc/39/66/10/818396610.db2.gz AECUKGKFYIZWHX-GJZGRUSLSA-N 2 2 295.427 0.816 20 0 CCADLP CN1CCN(C(=[NH2+])Nc2nc(Cl)nc3c2C[NH2+]C3)CC1 ZINC001168736673 818550670 /nfs/dbraw/zinc/55/06/70/818550670.db2.gz PDXUDIDJXVDVAH-UHFFFAOYSA-N 2 2 295.778 0.327 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cncc3c2CC(=O)N3)CC1 ZINC001168740412 818602585 /nfs/dbraw/zinc/60/25/85/818602585.db2.gz IKKDTPLHUWAEEW-UHFFFAOYSA-N 2 2 274.328 0.170 20 0 CCADLP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC[NH+]1CC=CC1)C2 ZINC001117677049 818605619 /nfs/dbraw/zinc/60/56/19/818605619.db2.gz XARBYZYHYCZWPA-ZDUSSCGKSA-N 2 2 274.368 0.742 20 0 CCADLP CC[NH+](CC)C[C@@H](F)C(=O)NCC[NH2+]Cc1ccon1 ZINC001128533103 818611320 /nfs/dbraw/zinc/61/13/20/818611320.db2.gz GWRUZKXOTCQYAO-GFCCVEGCSA-N 2 2 286.351 0.560 20 0 CCADLP COCC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001033592433 818843437 /nfs/dbraw/zinc/84/34/37/818843437.db2.gz ZQXFDXXKTXOTCE-LBPRGKRZSA-N 2 2 294.399 0.866 20 0 CCADLP COCC[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001033592433 818843440 /nfs/dbraw/zinc/84/34/40/818843440.db2.gz ZQXFDXXKTXOTCE-LBPRGKRZSA-N 2 2 294.399 0.866 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033626151 818859132 /nfs/dbraw/zinc/85/91/32/818859132.db2.gz WVERDIABBXMLQS-AAEUAGOBSA-N 2 2 294.399 0.828 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033626151 818859135 /nfs/dbraw/zinc/85/91/35/818859135.db2.gz WVERDIABBXMLQS-AAEUAGOBSA-N 2 2 294.399 0.828 20 0 CCADLP CCC[N@@H+]1CCO[C@@](C)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001108107715 818881621 /nfs/dbraw/zinc/88/16/21/818881621.db2.gz GHHUDMLLWBYNNE-HNNXBMFYSA-N 2 2 294.399 0.890 20 0 CCADLP CCC[N@H+]1CCO[C@@](C)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001108107715 818881629 /nfs/dbraw/zinc/88/16/29/818881629.db2.gz GHHUDMLLWBYNNE-HNNXBMFYSA-N 2 2 294.399 0.890 20 0 CCADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCF)C1 ZINC001033773033 818926553 /nfs/dbraw/zinc/92/65/53/818926553.db2.gz CPKIMOIMCSMDEE-CHWSQXEVSA-N 2 2 271.380 0.973 20 0 CCADLP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CCF)C1 ZINC001033773033 818926559 /nfs/dbraw/zinc/92/65/59/818926559.db2.gz CPKIMOIMCSMDEE-CHWSQXEVSA-N 2 2 271.380 0.973 20 0 CCADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CCF)C1 ZINC001033773033 818926566 /nfs/dbraw/zinc/92/65/66/818926566.db2.gz CPKIMOIMCSMDEE-CHWSQXEVSA-N 2 2 271.380 0.973 20 0 CCADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CCF)C1 ZINC001033773033 818926571 /nfs/dbraw/zinc/92/65/71/818926571.db2.gz CPKIMOIMCSMDEE-CHWSQXEVSA-N 2 2 271.380 0.973 20 0 CCADLP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702118956 819058722 /nfs/dbraw/zinc/05/87/22/819058722.db2.gz BIEBKHGVRPMJLX-ZJQBRPOHSA-N 2 2 253.390 0.831 20 0 CCADLP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702118956 819058726 /nfs/dbraw/zinc/05/87/26/819058726.db2.gz BIEBKHGVRPMJLX-ZJQBRPOHSA-N 2 2 253.390 0.831 20 0 CCADLP Cc1cc(N2CCOCC2)[nH+]cc1-n1cnc(C[NH3+])n1 ZINC001168754303 819155602 /nfs/dbraw/zinc/15/56/02/819155602.db2.gz NMXQLYVUEYINQW-UHFFFAOYSA-N 2 2 274.328 0.266 20 0 CCADLP CC(C)OCC[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128972668 819253713 /nfs/dbraw/zinc/25/37/13/819253713.db2.gz GZAQAZFQKPLJBL-UHFFFAOYSA-N 2 2 268.361 0.473 20 0 CCADLP CC(C)OCC[NH2+]CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001128972668 819253720 /nfs/dbraw/zinc/25/37/20/819253720.db2.gz GZAQAZFQKPLJBL-UHFFFAOYSA-N 2 2 268.361 0.473 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705701694 819546759 /nfs/dbraw/zinc/54/67/59/819546759.db2.gz HFYOTNBYXBJYFX-AEGPPILISA-N 2 2 284.400 0.574 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705701694 819546761 /nfs/dbraw/zinc/54/67/61/819546761.db2.gz HFYOTNBYXBJYFX-AEGPPILISA-N 2 2 284.400 0.574 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000705701694 819546763 /nfs/dbraw/zinc/54/67/63/819546763.db2.gz HFYOTNBYXBJYFX-AEGPPILISA-N 2 2 284.400 0.574 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000705701694 819546766 /nfs/dbraw/zinc/54/67/66/819546766.db2.gz HFYOTNBYXBJYFX-AEGPPILISA-N 2 2 284.400 0.574 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC2(C[NH+](CCO)C2)CC1 ZINC001035844395 819636176 /nfs/dbraw/zinc/63/61/76/819636176.db2.gz RRWGWWWSOCZFPY-UHFFFAOYSA-N 2 2 292.383 0.177 20 0 CCADLP COC1(OC)CC[C@@H]1[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000711041921 819877983 /nfs/dbraw/zinc/87/79/83/819877983.db2.gz OUMVMBMURNQJSE-AVGNSLFASA-N 2 2 270.373 0.591 20 0 CCADLP COC1(OC)CC[C@@H]1[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000711041921 819877993 /nfs/dbraw/zinc/87/79/93/819877993.db2.gz OUMVMBMURNQJSE-AVGNSLFASA-N 2 2 270.373 0.591 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](O)C1 ZINC001090362454 820298567 /nfs/dbraw/zinc/29/85/67/820298567.db2.gz XVYHSMSDPYBJSR-GXTWGEPZSA-N 2 2 288.351 0.748 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](O)C1 ZINC001090362454 820298574 /nfs/dbraw/zinc/29/85/74/820298574.db2.gz XVYHSMSDPYBJSR-GXTWGEPZSA-N 2 2 288.351 0.748 20 0 CCADLP CO[C@@H]1C[N@H+](CC=C(C)C)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001081446043 820775218 /nfs/dbraw/zinc/77/52/18/820775218.db2.gz MTGJOCRUWMPGAN-QLFBSQMISA-N 2 2 295.427 0.862 20 0 CCADLP CO[C@@H]1C[N@@H+](CC=C(C)C)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001081446043 820775226 /nfs/dbraw/zinc/77/52/26/820775226.db2.gz MTGJOCRUWMPGAN-QLFBSQMISA-N 2 2 295.427 0.862 20 0 CCADLP CO[C@@H]1C[NH+](CC=C(C)C)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001081446043 820775233 /nfs/dbraw/zinc/77/52/33/820775233.db2.gz MTGJOCRUWMPGAN-QLFBSQMISA-N 2 2 295.427 0.862 20 0 CCADLP CO[C@@H]1C[NH+](CC=C(C)C)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001081446043 820775237 /nfs/dbraw/zinc/77/52/37/820775237.db2.gz MTGJOCRUWMPGAN-QLFBSQMISA-N 2 2 295.427 0.862 20 0 CCADLP O=C(N[C@H]1CCC[NH2+]CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001118848537 820950063 /nfs/dbraw/zinc/95/00/63/820950063.db2.gz YLBOUSUGQVTWTF-RYUDHWBXSA-N 2 2 262.357 0.704 20 0 CCADLP O=C(NC[C@H]1C[C@@H]([NH2+]CCF)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001086111911 822115719 /nfs/dbraw/zinc/11/57/19/822115719.db2.gz IIUQJWNLCLPSSM-WRWGMCAJSA-N 2 2 280.347 0.967 20 0 CCADLP O=C(NC[C@H]1C[C@@H]([NH2+]CCF)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001086111911 822115727 /nfs/dbraw/zinc/11/57/27/822115727.db2.gz IIUQJWNLCLPSSM-WRWGMCAJSA-N 2 2 280.347 0.967 20 0 CCADLP O=C(NC[C@H]1C[C@@H]([NH2+]CCF)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001086124752 822120111 /nfs/dbraw/zinc/12/01/11/822120111.db2.gz CQTNZSKGEKGSCL-RWMBFGLXSA-N 2 2 294.374 0.899 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001108304943 822348847 /nfs/dbraw/zinc/34/88/47/822348847.db2.gz QRUBTIKFRZKGEI-HNNXBMFYSA-N 2 2 294.399 0.815 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@](C)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001108304943 822348857 /nfs/dbraw/zinc/34/88/57/822348857.db2.gz QRUBTIKFRZKGEI-HNNXBMFYSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H]1CN(C(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)C[C@@H]1O ZINC001157996805 837855576 /nfs/dbraw/zinc/85/55/76/837855576.db2.gz GKJAEJUKARMDML-XDTLVQLUSA-N 2 2 263.341 0.098 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C)c1csnn1 ZINC001129444304 837507240 /nfs/dbraw/zinc/50/72/40/837507240.db2.gz QTVMYPJIUODGLR-SKDRFNHKSA-N 2 2 297.428 0.645 20 0 CCADLP Cc1noc([C@H](C)[NH2+]CCNC(=O)[C@H](C2CC2)[NH+](C)C)n1 ZINC001129455367 837509759 /nfs/dbraw/zinc/50/97/59/837509759.db2.gz VDZLLECDCUCNHA-CABZTGNLSA-N 2 2 295.387 0.485 20 0 CCADLP C[N@H+](CC(=O)NCC[NH2+]Cc1cnsn1)C1CCC1 ZINC001129531710 837523285 /nfs/dbraw/zinc/52/32/85/837523285.db2.gz GVJGHPKAPYNGRP-UHFFFAOYSA-N 2 2 283.401 0.228 20 0 CCADLP C[N@@H+](CC(=O)NCC[NH2+]Cc1cnsn1)C1CCC1 ZINC001129531710 837523288 /nfs/dbraw/zinc/52/32/88/837523288.db2.gz GVJGHPKAPYNGRP-UHFFFAOYSA-N 2 2 283.401 0.228 20 0 CCADLP C[C@H](CCCC[NH2+]C[C@H](C)O)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170483812 837736766 /nfs/dbraw/zinc/73/67/66/837736766.db2.gz PTUUOPDKLDWXRE-OLZOCXBDSA-N 2 2 296.415 0.988 20 0 CCADLP CO[C@@H](C)C[NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001130265971 837745114 /nfs/dbraw/zinc/74/51/14/837745114.db2.gz GNYZUOARBGSZKQ-JTQLQIEISA-N 2 2 276.340 0.917 20 0 CCADLP O=C(NCC[NH2+]CCn1cncn1)c1cc2c[nH+]ccc2[nH]1 ZINC001130268626 837746308 /nfs/dbraw/zinc/74/63/08/837746308.db2.gz BHJMLQCOWDNBNY-UHFFFAOYSA-N 2 2 299.338 0.174 20 0 CCADLP Cc1nonc1C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001130297818 837755392 /nfs/dbraw/zinc/75/53/92/837755392.db2.gz SNBBGYFLHUTVDP-LBPRGKRZSA-N 2 2 281.360 0.068 20 0 CCADLP Cc1nonc1C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130297818 837755398 /nfs/dbraw/zinc/75/53/98/837755398.db2.gz SNBBGYFLHUTVDP-LBPRGKRZSA-N 2 2 281.360 0.068 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C)c1csnn1 ZINC001130299690 837755720 /nfs/dbraw/zinc/75/57/20/837755720.db2.gz AFTZZOXMUJCNOA-PWSUYJOCSA-N 2 2 297.428 0.789 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C)c1csnn1 ZINC001130299690 837755726 /nfs/dbraw/zinc/75/57/26/837755726.db2.gz AFTZZOXMUJCNOA-PWSUYJOCSA-N 2 2 297.428 0.789 20 0 CCADLP COCCC[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130403747 837786614 /nfs/dbraw/zinc/78/66/14/837786614.db2.gz BNTPCQVUYQWOIG-GFCCVEGCSA-N 2 2 280.372 0.188 20 0 CCADLP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1cnon1 ZINC001130427242 837790319 /nfs/dbraw/zinc/79/03/19/837790319.db2.gz KRIDNAKTXPPYIT-UHFFFAOYSA-N 2 2 269.349 0.006 20 0 CCADLP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1cnon1 ZINC001130427242 837790330 /nfs/dbraw/zinc/79/03/30/837790330.db2.gz KRIDNAKTXPPYIT-UHFFFAOYSA-N 2 2 269.349 0.006 20 0 CCADLP O=C(NCC[NH2+]Cc1cccnc1)[C@H]1CCn2cc[nH+]c2C1 ZINC001130481394 837804332 /nfs/dbraw/zinc/80/43/32/837804332.db2.gz RLAUNXFKQBYPIJ-AWEZNQCLSA-N 2 2 299.378 0.747 20 0 CCADLP Cc1cnc(C[NH3+])n1-c1cncc(-n2cc[nH+]c2C)n1 ZINC001169028607 836105600 /nfs/dbraw/zinc/10/56/00/836105600.db2.gz QFUWEJWJNBDRAC-UHFFFAOYSA-N 2 2 269.312 0.924 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncnc2c1SCCC2 ZINC001169070846 836123940 /nfs/dbraw/zinc/12/39/40/836123940.db2.gz DLXGMLYVEKQGEN-SECBINFHSA-N 2 2 291.380 0.563 20 0 CCADLP CC(C)(C)Oc1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nn1 ZINC001169067814 836124540 /nfs/dbraw/zinc/12/45/40/836124540.db2.gz YXHNTBFTULZRQB-SNVBAGLBSA-N 2 2 291.355 0.702 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc(-c2nnco2)cc1 ZINC001169073403 836126859 /nfs/dbraw/zinc/12/68/59/836126859.db2.gz GQYNCPFVLZEQQN-LLVKDONJSA-N 2 2 285.307 0.784 20 0 CCADLP COC(=O)c1cnc(C)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1 ZINC001169076025 836131284 /nfs/dbraw/zinc/13/12/84/836131284.db2.gz KUSIGBXTHALLGQ-LLVKDONJSA-N 2 2 290.323 0.224 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1C[C@@H](S(C)(=O)=O)C1)C2 ZINC001169099792 836132482 /nfs/dbraw/zinc/13/24/82/836132482.db2.gz VVRRVKPUCBSFIM-WOPNUFJOSA-N 2 2 272.414 0.777 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1C[C@@H](S(C)(=O)=O)C1)C2 ZINC001169099792 836132486 /nfs/dbraw/zinc/13/24/86/836132486.db2.gz VVRRVKPUCBSFIM-WOPNUFJOSA-N 2 2 272.414 0.777 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)C2 ZINC001169099791 836133109 /nfs/dbraw/zinc/13/31/09/836133109.db2.gz VVRRVKPUCBSFIM-UMBVQODESA-N 2 2 272.414 0.777 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)C2 ZINC001169099791 836133113 /nfs/dbraw/zinc/13/31/13/836133113.db2.gz VVRRVKPUCBSFIM-UMBVQODESA-N 2 2 272.414 0.777 20 0 CCADLP C[N@H+](CCN1CC[NH+](C)CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169144101 836154361 /nfs/dbraw/zinc/15/43/61/836154361.db2.gz IRCUQRSFRXJQDK-MUJYYYPQSA-N 3 2 280.460 0.791 20 0 CCADLP C[N@@H+](CCN1CC[NH+](C)CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169144101 836154365 /nfs/dbraw/zinc/15/43/65/836154365.db2.gz IRCUQRSFRXJQDK-MUJYYYPQSA-N 3 2 280.460 0.791 20 0 CCADLP C[NH+](CCN1CC[NH+](C)CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169144101 836154367 /nfs/dbraw/zinc/15/43/67/836154367.db2.gz IRCUQRSFRXJQDK-MUJYYYPQSA-N 3 2 280.460 0.791 20 0 CCADLP C[NH+](CCN1CC[NH+](C)CC1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169144101 836154372 /nfs/dbraw/zinc/15/43/72/836154372.db2.gz IRCUQRSFRXJQDK-MUJYYYPQSA-N 3 2 280.460 0.791 20 0 CCADLP Cc1nc(-n2ccc([C@H](C)[NH3+])n2)cc(N2CCOCC2)[nH+]1 ZINC001169229409 836165364 /nfs/dbraw/zinc/16/53/64/836165364.db2.gz XIMJCQDMSGCWHY-JTQLQIEISA-N 2 2 288.355 0.827 20 0 CCADLP CC[NH+]1CCC([N@@H+]2CCc3[nH]c(=O)[nH]c(=O)c3C2)CC1 ZINC001169263833 836170082 /nfs/dbraw/zinc/17/00/82/836170082.db2.gz BPVBECTVVABPJI-UHFFFAOYSA-N 2 2 278.356 0.730 20 0 CCADLP CC[NH+]1CCC([N@H+]2CCc3[nH]c(=O)[nH]c(=O)c3C2)CC1 ZINC001169263833 836170085 /nfs/dbraw/zinc/17/00/85/836170085.db2.gz BPVBECTVVABPJI-UHFFFAOYSA-N 2 2 278.356 0.730 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCn2cc[nH+]c2)CO1 ZINC001169308700 836208947 /nfs/dbraw/zinc/20/89/47/836208947.db2.gz XPOHZVAABDIODT-STQMWFEESA-N 2 2 281.356 0.974 20 0 CCADLP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCc2[nH+]ccn2C)CO1 ZINC001169369536 836243811 /nfs/dbraw/zinc/24/38/11/836243811.db2.gz ZFDHUOMCIVGVIJ-VXGBXAGGSA-N 2 2 281.356 0.663 20 0 CCADLP CC(=O)N1CCC[C@H](n2c[nH+]c(C)c2CC[NH3+])C1 ZINC001169573903 836362359 /nfs/dbraw/zinc/36/23/59/836362359.db2.gz JLUMLEDWXGGCRQ-LBPRGKRZSA-N 2 2 250.346 0.876 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNc1cc(N2CCOCC2)cc[nH+]1 ZINC001169650504 836404238 /nfs/dbraw/zinc/40/42/38/836404238.db2.gz AIJBZAITVOGXKP-CQSZACIVSA-N 2 2 292.383 0.661 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNc1cc(N2CCOCC2)cc[nH+]1 ZINC001169650504 836404243 /nfs/dbraw/zinc/40/42/43/836404243.db2.gz AIJBZAITVOGXKP-CQSZACIVSA-N 2 2 292.383 0.661 20 0 CCADLP C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@@H]1C[NH2+]CCO ZINC001184272996 844185097 /nfs/dbraw/zinc/18/50/97/844185097.db2.gz INSYFEIWJLEAJN-QWHCGFSZSA-N 2 2 294.399 0.409 20 0 CCADLP COc1ccc2[nH+]ccc(NC[C@H]3COCC[NH2+]3)c2n1 ZINC001170044179 836780389 /nfs/dbraw/zinc/78/03/89/836780389.db2.gz KTWIEBDKEBCQLN-JTQLQIEISA-N 2 2 274.324 0.461 20 0 CCADLP Cc1ccncc1C[NH+]1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001113300222 837084148 /nfs/dbraw/zinc/08/41/48/837084148.db2.gz LRXKJVCRGGHGDL-UHFFFAOYSA-N 2 2 290.411 0.986 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001184492398 844240310 /nfs/dbraw/zinc/24/03/10/844240310.db2.gz RNMBZLNGPKLIFL-CHWSQXEVSA-N 2 2 294.399 0.578 20 0 CCADLP COCCC[NH+]1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001113536014 837149854 /nfs/dbraw/zinc/14/98/54/837149854.db2.gz APFGZKFJWCPECX-UHFFFAOYSA-N 2 2 280.372 0.143 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+][C@H](C)c1cnccn1 ZINC001131380721 838076865 /nfs/dbraw/zinc/07/68/65/838076865.db2.gz YCGAWTKHBHGXAF-GFCCVEGCSA-N 2 2 288.355 0.449 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1csc(C)n1 ZINC001131387470 838080361 /nfs/dbraw/zinc/08/03/61/838080361.db2.gz QKVJOMAPGNYPQV-UHFFFAOYSA-N 2 2 293.396 0.862 20 0 CCADLP C[C@H](Nc1[nH+]cccc1N1CC[NH2+]CC1)[C@@H]1C[NH2+]CCO1 ZINC001170563644 838113332 /nfs/dbraw/zinc/11/33/32/838113332.db2.gz NGPBZHFAVQNMIP-JSGCOSHPSA-N 3 2 291.399 0.280 20 0 CCADLP CCOCCC[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131656754 838170968 /nfs/dbraw/zinc/17/09/68/838170968.db2.gz XLINLVMBTOOCIW-UHFFFAOYSA-N 2 2 282.388 0.485 20 0 CCADLP CCCC[NH2+]CCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC001131825514 838234797 /nfs/dbraw/zinc/23/47/97/838234797.db2.gz RAGHWCFXPHVEPM-HNNXBMFYSA-N 2 2 297.443 0.993 20 0 CCADLP CCCC[NH2+]CCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC001131825514 838234810 /nfs/dbraw/zinc/23/48/10/838234810.db2.gz RAGHWCFXPHVEPM-HNNXBMFYSA-N 2 2 297.443 0.993 20 0 CCADLP Cc1nc(C)c(C[NH2+]CCNC(=O)CCn2cc[nH+]c2)o1 ZINC001132082820 838314720 /nfs/dbraw/zinc/31/47/20/838314720.db2.gz WUIVYMCIVJUIRV-UHFFFAOYSA-N 2 2 291.355 0.784 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[N@@H+]1CCCO ZINC001132221264 838339768 /nfs/dbraw/zinc/33/97/68/838339768.db2.gz DXNBROFTJCHYTD-ZIAGYGMSSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[N@H+]1CCCO ZINC001132221264 838339773 /nfs/dbraw/zinc/33/97/73/838339773.db2.gz DXNBROFTJCHYTD-ZIAGYGMSSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[N@@H+]1CCO ZINC001132545730 838427190 /nfs/dbraw/zinc/42/71/90/838427190.db2.gz FKSQLKXGGKZWNO-ZIAGYGMSSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[N@H+]1CCO ZINC001132545730 838427194 /nfs/dbraw/zinc/42/71/94/838427194.db2.gz FKSQLKXGGKZWNO-ZIAGYGMSSA-N 2 2 294.399 0.625 20 0 CCADLP CO[C@@H](C)CNc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001158808042 838566050 /nfs/dbraw/zinc/56/60/50/838566050.db2.gz HRPLZDOTGMVHRZ-NSHDSACASA-N 2 2 250.346 0.938 20 0 CCADLP COCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1C ZINC001133196194 838574307 /nfs/dbraw/zinc/57/43/07/838574307.db2.gz UBDBUTMKXQUUTR-QWHCGFSZSA-N 2 2 294.399 0.673 20 0 CCADLP CCc1noc(C[NH2+]CCNC(=O)C2CC[NH+](C)CC2)n1 ZINC001133282012 838586994 /nfs/dbraw/zinc/58/69/94/838586994.db2.gz XAHYQGCKOWTLJI-UHFFFAOYSA-N 2 2 295.387 0.180 20 0 CCADLP CC(C)[C@H](C(=O)NCC[NH2+][C@H](C)c1ncccn1)[NH+](C)C ZINC001133434505 838635225 /nfs/dbraw/zinc/63/52/25/838635225.db2.gz VBBOMXCBVBJEAS-CHWSQXEVSA-N 2 2 293.415 0.830 20 0 CCADLP O=C(NCC[NH2+]C[C@@H]1CCOC1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001133664129 838691335 /nfs/dbraw/zinc/69/13/35/838691335.db2.gz MDJQEWQZIQSABW-NWDGAFQWSA-N 2 2 292.383 0.572 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001185258089 844381271 /nfs/dbraw/zinc/38/12/71/844381271.db2.gz PVHMXQGJTZJSAZ-CHWSQXEVSA-N 2 2 291.399 0.362 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001185258089 844381283 /nfs/dbraw/zinc/38/12/83/844381283.db2.gz PVHMXQGJTZJSAZ-CHWSQXEVSA-N 2 2 291.399 0.362 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]Cc1ccccc1F ZINC001134407230 838962740 /nfs/dbraw/zinc/96/27/40/838962740.db2.gz WNHRWDIFOALPBL-UHFFFAOYSA-N 2 2 276.315 0.997 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CC[C@@H]1CCCO1 ZINC001134393109 838964147 /nfs/dbraw/zinc/96/41/47/838964147.db2.gz JUJNEKUMLJYGJT-LBPRGKRZSA-N 2 2 266.345 0.227 20 0 CCADLP COCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134546211 839003631 /nfs/dbraw/zinc/00/36/31/839003631.db2.gz XQILQLMXLIYLFV-VXGBXAGGSA-N 2 2 282.388 0.862 20 0 CCADLP COCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134546211 839003645 /nfs/dbraw/zinc/00/36/45/839003645.db2.gz XQILQLMXLIYLFV-VXGBXAGGSA-N 2 2 282.388 0.862 20 0 CCADLP C[C@H](C[C@H](C)[NH2+]CCO)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134549559 839006348 /nfs/dbraw/zinc/00/63/48/839006348.db2.gz TXEJYTKBOCVMNJ-WDEREUQCSA-N 2 2 268.361 0.208 20 0 CCADLP C[C@H](C[C@H](C)[NH2+]CCO)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134549559 839006356 /nfs/dbraw/zinc/00/63/56/839006356.db2.gz TXEJYTKBOCVMNJ-WDEREUQCSA-N 2 2 268.361 0.208 20 0 CCADLP COC[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001135072518 839150911 /nfs/dbraw/zinc/15/09/11/839150911.db2.gz YXQONPXALFFAHW-WDEREUQCSA-N 2 2 268.361 0.329 20 0 CCADLP COC[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001135072518 839150917 /nfs/dbraw/zinc/15/09/17/839150917.db2.gz YXQONPXALFFAHW-WDEREUQCSA-N 2 2 268.361 0.329 20 0 CCADLP COCCC[NH2+]CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001135071741 839150929 /nfs/dbraw/zinc/15/09/29/839150929.db2.gz JOEFEZCXFMQSOZ-LLVKDONJSA-N 2 2 268.361 0.331 20 0 CCADLP COCCC[NH2+]CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001135071741 839150932 /nfs/dbraw/zinc/15/09/32/839150932.db2.gz JOEFEZCXFMQSOZ-LLVKDONJSA-N 2 2 268.361 0.331 20 0 CCADLP Cc1noc([C@@H](C)[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001185401227 844408905 /nfs/dbraw/zinc/40/89/05/844408905.db2.gz NFXFWUVYBSZFMC-ZYHUDNBSSA-N 2 2 295.387 0.581 20 0 CCADLP Cc1c(F)cc[nH+]c1NCCOCCOCC[NH3+] ZINC001159445651 839196239 /nfs/dbraw/zinc/19/62/39/839196239.db2.gz QQOLTCIAHUDLGO-UHFFFAOYSA-N 2 2 257.309 0.933 20 0 CCADLP COCC[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001185372447 844411434 /nfs/dbraw/zinc/41/14/34/844411434.db2.gz XVVARQVPUWWIMJ-QWHCGFSZSA-N 2 2 294.399 0.673 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1nc(C)c(C)o1 ZINC001135508760 839267385 /nfs/dbraw/zinc/26/73/85/839267385.db2.gz ZDEBSUJIYZNNFE-UHFFFAOYSA-N 2 2 282.388 0.839 20 0 CCADLP CCCc1noc(C[NH2+]CCNC(=O)C[NH+](CC)CC)n1 ZINC001135511186 839277599 /nfs/dbraw/zinc/27/75/99/839277599.db2.gz KMXFVPLLNXDSRR-UHFFFAOYSA-N 2 2 297.403 0.570 20 0 CCADLP Cc1cccn2c(CN3CC[C@@H](O)[C@H]([NH3+])C3)c[nH+]c12 ZINC001206086993 839382140 /nfs/dbraw/zinc/38/21/40/839382140.db2.gz LQQGYRHCUSFZMS-CHWSQXEVSA-N 2 2 260.341 0.537 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CCOCC1CCC1 ZINC001135757997 839391600 /nfs/dbraw/zinc/39/16/00/839391600.db2.gz VVXBYIBDWUMBCJ-UHFFFAOYSA-N 2 2 280.372 0.475 20 0 CCADLP C[C@H](C[C@@H](C)[NH2+]CCF)NC(=O)Cc1c[nH+]cn1C ZINC001135944338 839475749 /nfs/dbraw/zinc/47/57/49/839475749.db2.gz INJVNBOXAWHNGL-GHMZBOCLSA-N 2 2 270.352 0.805 20 0 CCADLP CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001245986361 839578825 /nfs/dbraw/zinc/57/88/25/839578825.db2.gz PCNYAEDLARMQQD-QWHCGFSZSA-N 3 2 269.433 0.857 20 0 CCADLP C[C@]1(C[NH3+])CCCC[N@H+](C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001246020170 839582357 /nfs/dbraw/zinc/58/23/57/839582357.db2.gz IGZXCCFTSHIQSM-ZIAGYGMSSA-N 3 2 255.406 0.552 20 0 CCADLP C[C@]1(C[NH3+])CCCC[N@@H+](C[C@@]2(O)CCC[NH2+]C2)C1 ZINC001246020170 839582364 /nfs/dbraw/zinc/58/23/64/839582364.db2.gz IGZXCCFTSHIQSM-ZIAGYGMSSA-N 3 2 255.406 0.552 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246020841 839583456 /nfs/dbraw/zinc/58/34/56/839583456.db2.gz MJNNBOUVTLSGJZ-ZIAGYGMSSA-N 3 2 257.422 0.892 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246020841 839583461 /nfs/dbraw/zinc/58/34/61/839583461.db2.gz MJNNBOUVTLSGJZ-ZIAGYGMSSA-N 3 2 257.422 0.892 20 0 CCADLP CC(C)CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001090680321 839732825 /nfs/dbraw/zinc/73/28/25/839732825.db2.gz UECUNBYLURAACY-QWHCGFSZSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001090680321 839732829 /nfs/dbraw/zinc/73/28/29/839732829.db2.gz UECUNBYLURAACY-QWHCGFSZSA-N 2 2 294.399 0.550 20 0 CCADLP COC(=O)[C@H](CCC[NH3+])[NH2+][C@H]1CCN[C@@H](C(F)(F)F)C1 ZINC001246402541 839833094 /nfs/dbraw/zinc/83/30/94/839833094.db2.gz XCWLJYYDZCXMPV-LPEHRKFASA-N 2 2 297.321 0.539 20 0 CCADLP CC[C@H](C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)OC ZINC001185925271 844475855 /nfs/dbraw/zinc/47/58/55/844475855.db2.gz LENQKSKYZGXNRB-DGCLKSJQSA-N 2 2 280.372 0.568 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CC2CCC2)C[C@H]1O ZINC001090846664 839851429 /nfs/dbraw/zinc/85/14/29/839851429.db2.gz HOFDHGFUSBCXFE-ZIAGYGMSSA-N 2 2 292.383 0.235 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](CC2CCC2)C[C@H]1O ZINC001090846664 839851434 /nfs/dbraw/zinc/85/14/34/839851434.db2.gz HOFDHGFUSBCXFE-ZIAGYGMSSA-N 2 2 292.383 0.235 20 0 CCADLP C[NH+]1CCC(CC(=O)N2CCc3[nH+]ccn3CC2)CC1 ZINC001143353896 839861095 /nfs/dbraw/zinc/86/10/95/839861095.db2.gz QSAQDNYYMZPUFX-UHFFFAOYSA-N 2 2 276.384 1.000 20 0 CCADLP COC(C)(C)[C@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001160583412 840028638 /nfs/dbraw/zinc/02/86/38/840028638.db2.gz XNMGRRXUKNXUSQ-NWDGAFQWSA-N 2 2 280.372 0.696 20 0 CCADLP CN(C[C@@H]1CC1(C)C)C(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001160710028 840142838 /nfs/dbraw/zinc/14/28/38/840142838.db2.gz KKFPJFZFUYKQFO-WCQYABFASA-N 2 2 282.432 0.241 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]Cc1ccns1 ZINC001171244427 840186270 /nfs/dbraw/zinc/18/62/70/840186270.db2.gz OAYXIDIHSONJIO-UHFFFAOYSA-N 2 2 293.396 0.715 20 0 CCADLP C[C@H]1C[C@@H]([NH+]2CCN(C3CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC001246795422 840249593 /nfs/dbraw/zinc/24/95/93/840249593.db2.gz MKRCMMKZTHDHIF-ZFWWWQNUSA-N 3 2 266.433 0.497 20 0 CCADLP CC[NH+]1CCC(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001146789249 840377919 /nfs/dbraw/zinc/37/79/19/840377919.db2.gz WOLLUTNRTMLABK-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP CC[NH+]1CCC(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001146789249 840377934 /nfs/dbraw/zinc/37/79/34/840377934.db2.gz WOLLUTNRTMLABK-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP Cc1nnsc1C[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149124048 840524927 /nfs/dbraw/zinc/52/49/27/840524927.db2.gz PQMDAQDSIUWBOT-UHFFFAOYSA-N 2 2 294.384 0.327 20 0 CCADLP [NH3+][C@@H]1CN(Cc2cccc(-n3cc[nH+]c3)c2)C[C@H]1O ZINC001205357529 844562997 /nfs/dbraw/zinc/56/29/97/844562997.db2.gz BYOGFFKXSVAUMS-ZIAGYGMSSA-N 2 2 258.325 0.376 20 0 CCADLP CN1C(=O)CC[C@@H]2C[N@H+]([C@@H]3CCC[NH2+]C3)CC[C@H]21 ZINC001246990411 840692176 /nfs/dbraw/zinc/69/21/76/840692176.db2.gz TWZKGENOVSYDNK-JHJVBQTASA-N 2 2 251.374 0.681 20 0 CCADLP CN1C(=O)CC[C@@H]2C[N@@H+]([C@@H]3CCC[NH2+]C3)CC[C@H]21 ZINC001246990411 840692179 /nfs/dbraw/zinc/69/21/79/840692179.db2.gz TWZKGENOVSYDNK-JHJVBQTASA-N 2 2 251.374 0.681 20 0 CCADLP C[N@@H+]1CC[C@H](CC(=O)NCC[NH2+]Cc2cnsn2)C1 ZINC001147877146 840711051 /nfs/dbraw/zinc/71/10/51/840711051.db2.gz DGAOZGPLOHFICL-SNVBAGLBSA-N 2 2 283.401 0.086 20 0 CCADLP C[N@H+]1CC[C@H](CC(=O)NCC[NH2+]Cc2cnsn2)C1 ZINC001147877146 840711055 /nfs/dbraw/zinc/71/10/55/840711055.db2.gz DGAOZGPLOHFICL-SNVBAGLBSA-N 2 2 283.401 0.086 20 0 CCADLP Cc1ncc(C[NH2+]CCNC(=O)Cc2c[nH+]cn2C)o1 ZINC001147877174 840711677 /nfs/dbraw/zinc/71/16/77/840711677.db2.gz FCVVMZIWIKDDAI-UHFFFAOYSA-N 2 2 277.328 0.165 20 0 CCADLP Cc1nonc1C[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148359905 840792346 /nfs/dbraw/zinc/79/23/46/840792346.db2.gz GVVWPMYMTCDAEP-UHFFFAOYSA-N 2 2 283.376 0.316 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)CCCC[NH+](C)C)o1 ZINC001148365753 840794434 /nfs/dbraw/zinc/79/44/34/840794434.db2.gz YNUVKLLYZHXNPL-NSHDSACASA-N 2 2 297.403 0.877 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715404885 841323626 /nfs/dbraw/zinc/32/36/26/841323626.db2.gz QYFZJULUPJIVGQ-GARJFASQSA-N 2 2 264.316 0.122 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715404885 841323636 /nfs/dbraw/zinc/32/36/36/841323636.db2.gz QYFZJULUPJIVGQ-GARJFASQSA-N 2 2 264.316 0.122 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715404885 841323609 /nfs/dbraw/zinc/32/36/09/841323609.db2.gz QYFZJULUPJIVGQ-GARJFASQSA-N 2 2 264.316 0.122 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715404885 841323618 /nfs/dbraw/zinc/32/36/18/841323618.db2.gz QYFZJULUPJIVGQ-GARJFASQSA-N 2 2 264.316 0.122 20 0 CCADLP CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC001036854574 841400052 /nfs/dbraw/zinc/40/00/52/841400052.db2.gz NORMBUYLCDFSLU-VXGBXAGGSA-N 2 2 262.357 0.895 20 0 CCADLP CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC001036854574 841400060 /nfs/dbraw/zinc/40/00/60/841400060.db2.gz NORMBUYLCDFSLU-VXGBXAGGSA-N 2 2 262.357 0.895 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CC(=O)N(CC2CC2)C1 ZINC000716773246 841679540 /nfs/dbraw/zinc/67/95/40/841679540.db2.gz MVGXXVUSZITTTO-BNOWGMLFSA-N 2 2 281.400 0.354 20 0 CCADLP C[C@@H]1CNC(=O)C[N@@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128264 841835840 /nfs/dbraw/zinc/83/58/40/841835840.db2.gz QNIINTNPSOYEQY-FVCCEPFGSA-N 2 2 251.374 0.822 20 0 CCADLP C[C@@H]1CNC(=O)C[N@H+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128264 841835848 /nfs/dbraw/zinc/83/58/48/841835848.db2.gz QNIINTNPSOYEQY-FVCCEPFGSA-N 2 2 251.374 0.822 20 0 CCADLP C[C@@H]1CNC(=O)C[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172128264 841835856 /nfs/dbraw/zinc/83/58/56/841835856.db2.gz QNIINTNPSOYEQY-FVCCEPFGSA-N 2 2 251.374 0.822 20 0 CCADLP C[C@@H]1CNC(=O)C[NH+]1[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172128264 841835860 /nfs/dbraw/zinc/83/58/60/841835860.db2.gz QNIINTNPSOYEQY-FVCCEPFGSA-N 2 2 251.374 0.822 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCO1 ZINC001172119993 841851325 /nfs/dbraw/zinc/85/13/25/841851325.db2.gz IGBXCCQBBNDVJL-CRWXNKLISA-N 2 2 282.384 0.876 20 0 CCADLP COC(=O)[C@@H]1C[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCO1 ZINC001172119993 841851336 /nfs/dbraw/zinc/85/13/36/841851336.db2.gz IGBXCCQBBNDVJL-CRWXNKLISA-N 2 2 282.384 0.876 20 0 CCADLP COC(=O)[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCO1 ZINC001172119993 841851341 /nfs/dbraw/zinc/85/13/41/841851341.db2.gz IGBXCCQBBNDVJL-CRWXNKLISA-N 2 2 282.384 0.876 20 0 CCADLP COC(=O)[C@@H]1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCO1 ZINC001172119993 841851348 /nfs/dbraw/zinc/85/13/48/841851348.db2.gz IGBXCCQBBNDVJL-CRWXNKLISA-N 2 2 282.384 0.876 20 0 CCADLP COCCC[NH+]1CCC([NH+]2CC(C)(CO)C2)CC1 ZINC001172252430 841912474 /nfs/dbraw/zinc/91/24/74/841912474.db2.gz MDCSFNSIWYFTOD-UHFFFAOYSA-N 2 2 256.390 0.802 20 0 CCADLP CC(C)OC(=O)CC[C@H](C)NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001172743427 841965378 /nfs/dbraw/zinc/96/53/78/841965378.db2.gz AXMZNQUYBPQEDN-LBPRGKRZSA-N 2 2 284.404 0.878 20 0 CCADLP COc1nccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)n1 ZINC001206175057 841974832 /nfs/dbraw/zinc/97/48/32/841974832.db2.gz RMKFLJCCRDLDTF-GHMZBOCLSA-N 2 2 254.309 0.746 20 0 CCADLP COc1nccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)n1 ZINC001206175057 841974839 /nfs/dbraw/zinc/97/48/39/841974839.db2.gz RMKFLJCCRDLDTF-GHMZBOCLSA-N 2 2 254.309 0.746 20 0 CCADLP CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]cn1C)C2 ZINC001095039655 842008562 /nfs/dbraw/zinc/00/85/62/842008562.db2.gz XTDDOHOLKCPZKG-XQQFMLRXSA-N 2 2 276.384 0.952 20 0 CCADLP C[C@H](CCCC[NH2+]CC(N)=O)NC(=O)CCn1cc[nH+]c1 ZINC001174581197 842190697 /nfs/dbraw/zinc/19/06/97/842190697.db2.gz PJZCEMYZZUNXAT-GFCCVEGCSA-N 2 2 295.387 0.023 20 0 CCADLP Cc1nocc1C[NH2+]CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001174682818 842199391 /nfs/dbraw/zinc/19/93/91/842199391.db2.gz ODHPXWWBYRBMMR-UHFFFAOYSA-N 2 2 291.355 0.853 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]C[C@@H]1CCCOC1 ZINC001174682716 842199626 /nfs/dbraw/zinc/19/96/26/842199626.db2.gz LBOUNQCVLWSKIN-ZDUSSCGKSA-N 2 2 294.399 0.783 20 0 CCADLP CCC[NH+]1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001176831787 842417927 /nfs/dbraw/zinc/41/79/27/842417927.db2.gz XYTRBVTZDKTYJO-RYUDHWBXSA-N 2 2 262.357 0.752 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NCCC[NH2+]Cc1ccon1 ZINC001177351496 842562940 /nfs/dbraw/zinc/56/29/40/842562940.db2.gz FKLYNGZUWJJLCN-UHFFFAOYSA-N 2 2 291.355 0.947 20 0 CCADLP COCCCC[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177411403 842585549 /nfs/dbraw/zinc/58/55/49/842585549.db2.gz RNMASRIXJCTQHO-UHFFFAOYSA-N 2 2 268.361 0.406 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]Cc1cscn1 ZINC001177415412 842587625 /nfs/dbraw/zinc/58/76/25/842587625.db2.gz WFPGZQYWPBAPQW-UHFFFAOYSA-N 2 2 279.369 0.636 20 0 CCADLP C[C@H](C(=O)N1CCOC[C@H]1C[NH+](C)C)n1cc[nH+]c1 ZINC001177921858 842709027 /nfs/dbraw/zinc/70/90/27/842709027.db2.gz IROUYIUSJNDFAU-VXGBXAGGSA-N 2 2 266.345 0.233 20 0 CCADLP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H](C)n2cc[nH+]c2)O1 ZINC001177926276 842712491 /nfs/dbraw/zinc/71/24/91/842712491.db2.gz ANGLTVBTNQTELY-HKUMRIAESA-N 2 2 296.371 0.285 20 0 CCADLP CC(C)(C)[NH+]1CC(NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001178000224 842724051 /nfs/dbraw/zinc/72/40/51/842724051.db2.gz DCYOIKYTIUJIMC-UHFFFAOYSA-N 2 2 250.346 0.941 20 0 CCADLP N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)CCc1[nH]cc[nH+]1 ZINC001177994143 842734364 /nfs/dbraw/zinc/73/43/64/842734364.db2.gz DWPCECNELSTVNM-SNVBAGLBSA-N 2 2 286.339 0.783 20 0 CCADLP CC(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001178419119 842845071 /nfs/dbraw/zinc/84/50/71/842845071.db2.gz ZLANPQLOUJXZQS-SOUVJXGZSA-N 2 2 297.443 0.942 20 0 CCADLP CC(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001178419119 842845078 /nfs/dbraw/zinc/84/50/78/842845078.db2.gz ZLANPQLOUJXZQS-SOUVJXGZSA-N 2 2 297.443 0.942 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@H]1C ZINC001178572248 842882753 /nfs/dbraw/zinc/88/27/53/842882753.db2.gz BUBKXSZZLQQJHD-RYUDHWBXSA-N 2 2 280.372 0.568 20 0 CCADLP C[C@H](C(=O)N[C@H]1C[N@H+](C)CC1(C)C)n1cc[nH+]c1 ZINC001178709796 842911283 /nfs/dbraw/zinc/91/12/83/842911283.db2.gz RVVOMKVUJCKIFI-MNOVXSKESA-N 2 2 250.346 0.901 20 0 CCADLP C[C@H](C(=O)N[C@H]1C[N@@H+](C)CC1(C)C)n1cc[nH+]c1 ZINC001178709796 842911289 /nfs/dbraw/zinc/91/12/89/842911289.db2.gz RVVOMKVUJCKIFI-MNOVXSKESA-N 2 2 250.346 0.901 20 0 CCADLP COCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001179618046 843027390 /nfs/dbraw/zinc/02/73/90/843027390.db2.gz YGMDLQPMCIREDY-AAEUAGOBSA-N 2 2 280.372 0.568 20 0 CCADLP C[N@H+](CCC(=O)NC1C[NH+](C)C1)Cc1ccccc1 ZINC001181142647 843417008 /nfs/dbraw/zinc/41/70/08/843417008.db2.gz ZOIQQXUHVDHIAW-UHFFFAOYSA-N 2 2 261.369 0.939 20 0 CCADLP C[N@@H+](CCC(=O)NC1C[NH+](C)C1)Cc1ccccc1 ZINC001181142647 843417014 /nfs/dbraw/zinc/41/70/14/843417014.db2.gz ZOIQQXUHVDHIAW-UHFFFAOYSA-N 2 2 261.369 0.939 20 0 CCADLP CCOc1cc(OC)ccc1C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206492598 843759971 /nfs/dbraw/zinc/75/99/71/843759971.db2.gz YAVZZCUYBCAJRR-GXTWGEPZSA-N 2 2 280.368 0.845 20 0 CCADLP CCOc1cc(OC)ccc1C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206492598 843759979 /nfs/dbraw/zinc/75/99/79/843759979.db2.gz YAVZZCUYBCAJRR-GXTWGEPZSA-N 2 2 280.368 0.845 20 0 CCADLP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CC[NH+](CCC(C)(C)O)CC1 ZINC001182849906 843936258 /nfs/dbraw/zinc/93/62/58/843936258.db2.gz XDNDLRDSWQDGPM-AWEZNQCLSA-N 2 2 297.443 0.774 20 0 CCADLP CC(C)[N@H+]1CC[C@H]1C(=O)N1CC[NH+](CCC(C)(C)O)CC1 ZINC001182849906 843936263 /nfs/dbraw/zinc/93/62/63/843936263.db2.gz XDNDLRDSWQDGPM-AWEZNQCLSA-N 2 2 297.443 0.774 20 0 CCADLP CC[C@H](C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1)OC ZINC001187092570 844649800 /nfs/dbraw/zinc/64/98/00/844649800.db2.gz WYWZTHOMSLUMQG-TZMCWYRMSA-N 2 2 294.399 0.578 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001188369358 844874580 /nfs/dbraw/zinc/87/45/80/844874580.db2.gz WGNZECHPTZRSLA-NWDGAFQWSA-N 2 2 266.345 0.109 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+]CCOCC2CC2)C1 ZINC001188369071 844874772 /nfs/dbraw/zinc/87/47/72/844874772.db2.gz OZDNBJZRDPZMEB-CQSZACIVSA-N 2 2 292.383 0.500 20 0 CCADLP CC(C)COCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001188368564 844874825 /nfs/dbraw/zinc/87/48/25/844874825.db2.gz ANQGITCLVWFXLS-CQSZACIVSA-N 2 2 294.399 0.746 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001188376814 844876206 /nfs/dbraw/zinc/87/62/06/844876206.db2.gz QUTVDVFDZJWYNQ-NNRVYMOVSA-N 2 2 268.748 0.826 20 0 CCADLP COCC[N@H+](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189872789 845240891 /nfs/dbraw/zinc/24/08/91/845240891.db2.gz AVTLSSFTGCCCHL-GFCCVEGCSA-N 2 2 280.372 0.521 20 0 CCADLP COCC[N@@H+](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189872789 845240902 /nfs/dbraw/zinc/24/09/02/845240902.db2.gz AVTLSSFTGCCCHL-GFCCVEGCSA-N 2 2 280.372 0.521 20 0 CCADLP CCOCC[N@H+](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189881978 845252189 /nfs/dbraw/zinc/25/21/89/845252189.db2.gz BHMHBZCNZYPHSR-CYBMUJFWSA-N 2 2 294.399 0.912 20 0 CCADLP CCOCC[N@@H+](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189881978 845252200 /nfs/dbraw/zinc/25/22/00/845252200.db2.gz 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CO[C@@H](C)C[N@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102482960 855437986 /nfs/dbraw/zinc/43/79/86/855437986.db2.gz QIMSKDAKGDRVGG-FRRDWIJNSA-N 2 2 294.399 0.671 20 0 CCADLP CO[C@@H](C)C[N@@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102482960 855437987 /nfs/dbraw/zinc/43/79/87/855437987.db2.gz QIMSKDAKGDRVGG-FRRDWIJNSA-N 2 2 294.399 0.671 20 0 CCADLP C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001118596436 856361080 /nfs/dbraw/zinc/36/10/80/856361080.db2.gz INHPKPUAHFNUED-GHMZBOCLSA-N 2 2 250.346 0.941 20 0 CCADLP CC[C@@H]1CN(C(=O)NCc2c[nH+]cn2C)CC[C@@H]1[NH3+] ZINC001119419762 856675600 /nfs/dbraw/zinc/67/56/00/856675600.db2.gz JIUSTAKHKQQWEL-PWSUYJOCSA-N 2 2 265.361 0.689 20 0 CCADLP CON1CC[C@H]([N@@H+]2CCC[C@H]([NH+](C)C)CC2)C1=O ZINC001119850933 856895388 /nfs/dbraw/zinc/89/53/88/856895388.db2.gz GZJYRWZOMOLZDF-RYUDHWBXSA-N 2 2 255.362 0.565 20 0 CCADLP CON1CC[C@H]([N@H+]2CCC[C@H]([NH+](C)C)CC2)C1=O ZINC001119850933 856895393 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/nfs/dbraw/zinc/29/38/98/898293898.db2.gz KZPRTPYIIHGCLX-JDEDCZITSA-N 2 2 298.774 0.105 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1cnsn1 ZINC001485962572 898529987 /nfs/dbraw/zinc/52/99/87/898529987.db2.gz ZYYZWBYIBYFTNR-NSHDSACASA-N 2 2 299.444 0.815 20 0 CCADLP Cc1noc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)[C@H]2C)n1 ZINC001486086303 898647929 /nfs/dbraw/zinc/64/79/29/898647929.db2.gz VWZVWCXTFSJXQO-CMPLNLGQSA-N 2 2 295.387 0.409 20 0 CCADLP C[C@H]1[C@H]([NH2+]CCCF)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001486091554 898651110 /nfs/dbraw/zinc/65/11/10/898651110.db2.gz URNDRFMEUHXIJC-WDEREUQCSA-N 2 2 268.336 0.891 20 0 CCADLP CN(C[C@H]1CC[N@@H+]1CCO)C(=O)CCCn1cc[nH+]c1 ZINC001397570008 914283691 /nfs/dbraw/zinc/28/36/91/914283691.db2.gz GWVBGBPOSAPWOY-CYBMUJFWSA-N 2 2 280.372 0.188 20 0 CCADLP CN(C[C@H]1CC[N@H+]1CCO)C(=O)CCCn1cc[nH+]c1 ZINC001397570008 914283706 /nfs/dbraw/zinc/28/37/06/914283706.db2.gz GWVBGBPOSAPWOY-CYBMUJFWSA-N 2 2 280.372 0.188 20 0 CCADLP COCC[N@H+]1CC=C(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001486516308 898916302 /nfs/dbraw/zinc/91/63/02/898916302.db2.gz GTCQDIQQXMHVQD-UHFFFAOYSA-N 2 2 278.356 0.347 20 0 CCADLP COCC[N@@H+]1CC=C(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001486516308 898916318 /nfs/dbraw/zinc/91/63/18/898916318.db2.gz GTCQDIQQXMHVQD-UHFFFAOYSA-N 2 2 278.356 0.347 20 0 CCADLP c1nscc1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC001364581312 898932039 /nfs/dbraw/zinc/93/20/39/898932039.db2.gz ZXVZHILZBKHUFV-CQSZACIVSA-N 2 2 296.440 0.639 20 0 CCADLP CO[C@H](C)C[NH+]1CC([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001409950895 898965980 /nfs/dbraw/zinc/96/59/80/898965980.db2.gz WZSLCRBDWBCOBQ-MNOVXSKESA-N 2 2 280.372 0.424 20 0 CCADLP Cc1cn2cc(NC(=O)NCC[N@H+](C)CCO)ccc2[nH+]1 ZINC000887726376 900885974 /nfs/dbraw/zinc/88/59/74/900885974.db2.gz IONHROHESIIHIW-UHFFFAOYSA-N 2 2 291.355 0.688 20 0 CCADLP Cc1cn2cc(NC(=O)NCC[N@@H+](C)CCO)ccc2[nH+]1 ZINC000887726376 900885978 /nfs/dbraw/zinc/88/59/78/900885978.db2.gz IONHROHESIIHIW-UHFFFAOYSA-N 2 2 291.355 0.688 20 0 CCADLP [NH3+][C@H](C(=O)NCCc1[nH]cc[nH+]1)C1CCCCC1 ZINC001326687205 901864551 /nfs/dbraw/zinc/86/45/51/901864551.db2.gz CRUOFWCZAGBVDK-LBPRGKRZSA-N 2 2 250.346 0.976 20 0 CCADLP C[C@@H]1C[N@H+](CCN2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)CCO1 ZINC001412993184 902445682 /nfs/dbraw/zinc/44/56/82/902445682.db2.gz QJYXGSYNSJSQSW-QLFBSQMISA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)CCO1 ZINC001412993184 902445691 /nfs/dbraw/zinc/44/56/91/902445691.db2.gz QJYXGSYNSJSQSW-QLFBSQMISA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H]1C[NH+](CCN2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)CCO1 ZINC001412993184 902445697 /nfs/dbraw/zinc/44/56/97/902445697.db2.gz QJYXGSYNSJSQSW-QLFBSQMISA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H]1C[NH+](CCN2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)CCO1 ZINC001412993184 902445703 /nfs/dbraw/zinc/44/57/03/902445703.db2.gz QJYXGSYNSJSQSW-QLFBSQMISA-N 2 2 285.432 0.094 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001398337117 914628427 /nfs/dbraw/zinc/62/84/27/914628427.db2.gz LCYCYUSIYKBUNJ-ZDUSSCGKSA-N 2 2 293.415 0.451 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccnn2C)C1 ZINC001398337117 914628460 /nfs/dbraw/zinc/62/84/60/914628460.db2.gz LCYCYUSIYKBUNJ-ZDUSSCGKSA-N 2 2 293.415 0.451 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccnn2C)C1 ZINC001398337117 914628472 /nfs/dbraw/zinc/62/84/72/914628472.db2.gz LCYCYUSIYKBUNJ-ZDUSSCGKSA-N 2 2 293.415 0.451 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC001398337117 914628482 /nfs/dbraw/zinc/62/84/82/914628482.db2.gz LCYCYUSIYKBUNJ-ZDUSSCGKSA-N 2 2 293.415 0.451 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001327918944 902579816 /nfs/dbraw/zinc/57/98/16/902579816.db2.gz RKYAEGOSPGTIMC-CYBMUJFWSA-N 3 2 253.390 0.440 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001327918944 902579822 /nfs/dbraw/zinc/57/98/22/902579822.db2.gz RKYAEGOSPGTIMC-CYBMUJFWSA-N 3 2 253.390 0.440 20 0 CCADLP COCC[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001491178588 903423348 /nfs/dbraw/zinc/42/33/48/903423348.db2.gz FHRCGABETUXVDV-CYBMUJFWSA-N 2 2 294.399 0.437 20 0 CCADLP C[C@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)[NH2+]CCCO ZINC001491464318 903605994 /nfs/dbraw/zinc/60/59/94/903605994.db2.gz ZTZYQNILLOZDBC-GFCCVEGCSA-N 2 2 294.399 0.239 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CC1CC1 ZINC001491508172 903628535 /nfs/dbraw/zinc/62/85/35/903628535.db2.gz PEGDYTVCINZFCR-AAEUAGOBSA-N 2 2 276.384 0.950 20 0 CCADLP Cc1nc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)no1 ZINC001398615680 914747126 /nfs/dbraw/zinc/74/71/26/914747126.db2.gz ALHFSJSHPUBDAL-JLLWLGSASA-N 2 2 295.387 0.628 20 0 CCADLP COCC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C ZINC001216397811 903859029 /nfs/dbraw/zinc/85/90/29/903859029.db2.gz UUAHTMUXTMUHGT-VXGBXAGGSA-N 2 2 294.399 0.770 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001330867427 903924948 /nfs/dbraw/zinc/92/49/48/903924948.db2.gz QAEFKVFYDRYRHH-NSHDSACASA-N 2 2 252.318 0.089 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001330867427 903924957 /nfs/dbraw/zinc/92/49/57/903924957.db2.gz QAEFKVFYDRYRHH-NSHDSACASA-N 2 2 252.318 0.089 20 0 CCADLP C[NH2+]C[C@@H]1CCCN(C(=O)NCc2c[nH+]cn2C)C1 ZINC001331438162 903985732 /nfs/dbraw/zinc/98/57/32/903985732.db2.gz MAUZMLGSLKWPML-NSHDSACASA-N 2 2 265.361 0.561 20 0 CCADLP COCC[NH2+][C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001327887491 914837091 /nfs/dbraw/zinc/83/70/91/914837091.db2.gz XMEBECKFXFKOGE-STQMWFEESA-N 2 2 280.372 0.356 20 0 CCADLP CC[NH+]1CCC(CO)(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001377572477 905006908 /nfs/dbraw/zinc/00/69/08/905006908.db2.gz GTTLVKIKNWMZGJ-GFCCVEGCSA-N 2 2 294.399 0.551 20 0 CCADLP CC[NH+]1CCC(CO)(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001377572477 905006925 /nfs/dbraw/zinc/00/69/25/905006925.db2.gz GTTLVKIKNWMZGJ-GFCCVEGCSA-N 2 2 294.399 0.551 20 0 CCADLP COC[C@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001377682948 905097090 /nfs/dbraw/zinc/09/70/90/905097090.db2.gz GVMMRVLMWDIXPU-STQMWFEESA-N 2 2 294.399 0.910 20 0 CCADLP COC[C@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001377682948 905097108 /nfs/dbraw/zinc/09/71/08/905097108.db2.gz GVMMRVLMWDIXPU-STQMWFEESA-N 2 2 294.399 0.910 20 0 CCADLP CC[C@@H](C(=O)NC1C[NH+](CCC[C@@H]2CCOC2)C1)[NH+](C)C ZINC001377933187 905253848 /nfs/dbraw/zinc/25/38/48/905253848.db2.gz RBUAVWBMBPJHLE-HIFRSBDPSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CC1CC1 ZINC001336980090 921137661 /nfs/dbraw/zinc/13/76/61/921137661.db2.gz CPGDVUJUVQAMQQ-OLZOCXBDSA-N 2 2 269.389 0.341 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CC1CC1 ZINC001336980090 921137665 /nfs/dbraw/zinc/13/76/65/921137665.db2.gz CPGDVUJUVQAMQQ-OLZOCXBDSA-N 2 2 269.389 0.341 20 0 CCADLP O=C(C[NH+]1CCCC1)NCC1C[NH+](Cc2cncs2)C1 ZINC001378027997 905355722 /nfs/dbraw/zinc/35/57/22/905355722.db2.gz SLKQYHXFRPOGQD-UHFFFAOYSA-N 2 2 294.424 0.787 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@](C)(C[NH2+]C[C@H](C)O)C1CC1 ZINC001378439365 905625017 /nfs/dbraw/zinc/62/50/17/905625017.db2.gz YHMPFYIPCJADDU-BONVTDFDSA-N 2 2 294.399 0.516 20 0 CCADLP CC(C)[C@H](C(=O)N[C@H](C)C1C[NH+](CCF)C1)[NH+](C)C ZINC001378578121 905692160 /nfs/dbraw/zinc/69/21/60/905692160.db2.gz BKAKGIHRWULOGD-DGCLKSJQSA-N 2 2 273.396 0.979 20 0 CCADLP COCC[NH+]1CC([C@@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001378592912 905698797 /nfs/dbraw/zinc/69/87/97/905698797.db2.gz OZFIAVDEGCHTMW-GFCCVEGCSA-N 2 2 294.399 0.436 20 0 CCADLP C[C@H](C[NH2+]Cc1csnn1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001378856537 905859024 /nfs/dbraw/zinc/85/90/24/905859024.db2.gz VRIYMNKFQBULLQ-GHMZBOCLSA-N 2 2 297.428 0.426 20 0 CCADLP C[C@H](C[NH2+]Cc1csnn1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001378856537 905859037 /nfs/dbraw/zinc/85/90/37/905859037.db2.gz VRIYMNKFQBULLQ-GHMZBOCLSA-N 2 2 297.428 0.426 20 0 CCADLP CC(C)C[C@H](C[NH2+]C[C@@H](C)O)NC(=O)Cc1c[nH+]cn1C ZINC001378878556 905867001 /nfs/dbraw/zinc/86/70/01/905867001.db2.gz KNONXXFRWBBURK-CHWSQXEVSA-N 2 2 296.415 0.464 20 0 CCADLP Cc1noc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001379101964 905997501 /nfs/dbraw/zinc/99/75/01/905997501.db2.gz ITHVZDPSWUFGMQ-CMPLNLGQSA-N 2 2 295.387 0.409 20 0 CCADLP Cc1noc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001379101964 905997511 /nfs/dbraw/zinc/99/75/11/905997511.db2.gz ITHVZDPSWUFGMQ-CMPLNLGQSA-N 2 2 295.387 0.409 20 0 CCADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]Cc1cncn1C ZINC001379246901 906086017 /nfs/dbraw/zinc/08/60/17/906086017.db2.gz ZREZKMICWTYHNM-NSHDSACASA-N 2 2 290.371 0.322 20 0 CCADLP C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]CC[C@H]1CCOC1 ZINC001379266528 906101623 /nfs/dbraw/zinc/10/16/23/906101623.db2.gz FNVINGXDDMFSNI-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP COC[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001379309409 906134788 /nfs/dbraw/zinc/13/47/88/906134788.db2.gz GOYJHSASVFKYJU-QWRGUYRKSA-N 2 2 282.388 0.732 20 0 CCADLP CC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CN(C)CCN2C)CC1 ZINC000829179454 906163310 /nfs/dbraw/zinc/16/33/10/906163310.db2.gz HCWXYQCKWHNWSI-DZGCQCFKSA-N 2 2 268.449 0.695 20 0 CCADLP C[C@H]1CCN(C(=O)NCc2c[nH+]cn2C)C[C@H]1C[NH3+] ZINC001334229826 906168802 /nfs/dbraw/zinc/16/88/02/906168802.db2.gz RKXOFLFMJVDYCV-WDEREUQCSA-N 2 2 265.361 0.546 20 0 CCADLP Cc1noc([C@H](C)[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C)n1 ZINC001379465586 906260552 /nfs/dbraw/zinc/26/05/52/906260552.db2.gz KCCGMBZRVLUPOA-MNOVXSKESA-N 2 2 297.403 0.874 20 0 CCADLP Cc1noc([C@H](C)[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)n1 ZINC001379465586 906260568 /nfs/dbraw/zinc/26/05/68/906260568.db2.gz KCCGMBZRVLUPOA-MNOVXSKESA-N 2 2 297.403 0.874 20 0 CCADLP C[C@@H](C[NH2+]Cc1csnn1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001379519775 906319323 /nfs/dbraw/zinc/31/93/23/906319323.db2.gz ZGWMFHCGNPWZDA-JQWIXIFHSA-N 2 2 297.428 0.617 20 0 CCADLP C[C@@H](C[NH2+]Cc1csnn1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001379519775 906319331 /nfs/dbraw/zinc/31/93/31/906319331.db2.gz ZGWMFHCGNPWZDA-JQWIXIFHSA-N 2 2 297.428 0.617 20 0 CCADLP C[C@@H](C[N@H+](C)CCCO)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001379701594 906439484 /nfs/dbraw/zinc/43/94/84/906439484.db2.gz VFLBDNKYQZUGQN-STQMWFEESA-N 2 2 294.399 0.264 20 0 CCADLP C[C@@H](C[N@@H+](C)CCCO)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001379701594 906439500 /nfs/dbraw/zinc/43/95/00/906439500.db2.gz VFLBDNKYQZUGQN-STQMWFEESA-N 2 2 294.399 0.264 20 0 CCADLP CC(C)[NH2+]C[C@H](O)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001379840395 906502084 /nfs/dbraw/zinc/50/20/84/906502084.db2.gz KWNNASYYOGNBNX-OLZOCXBDSA-N 2 2 282.388 0.652 20 0 CCADLP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001380018890 906594275 /nfs/dbraw/zinc/59/42/75/906594275.db2.gz UAFGAIRZAZYGSY-STQMWFEESA-N 2 2 298.431 0.043 20 0 CCADLP CCCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001380018890 906594281 /nfs/dbraw/zinc/59/42/81/906594281.db2.gz UAFGAIRZAZYGSY-STQMWFEESA-N 2 2 298.431 0.043 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1([NH2+]C[C@H]2CCCCO2)CC1 ZINC001380167636 906664947 /nfs/dbraw/zinc/66/49/47/906664947.db2.gz JUILCEZBOFCPDE-CYBMUJFWSA-N 2 2 292.383 0.691 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001380835172 906953589 /nfs/dbraw/zinc/95/35/89/906953589.db2.gz WOLBXZJGUKOMOT-AWEZNQCLSA-N 2 2 283.416 0.699 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001380835172 906953606 /nfs/dbraw/zinc/95/36/06/906953606.db2.gz WOLBXZJGUKOMOT-AWEZNQCLSA-N 2 2 283.416 0.699 20 0 CCADLP Cn1cnc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC001337806065 921295310 /nfs/dbraw/zinc/29/53/10/921295310.db2.gz PFWZDZXZZSENTJ-MGPQQGTHSA-N 2 2 264.373 0.667 20 0 CCADLP CO[C@@H](C)C[NH2+]CC1CC(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001381323068 907159195 /nfs/dbraw/zinc/15/91/95/907159195.db2.gz SBWYKLPYWDBPJW-DCBWTQNWSA-N 2 2 294.399 0.862 20 0 CCADLP CO[C@@H](C)C[NH2+]CC1CC(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001381323068 907159206 /nfs/dbraw/zinc/15/92/06/907159206.db2.gz SBWYKLPYWDBPJW-DCBWTQNWSA-N 2 2 294.399 0.862 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+](C)C)o1 ZINC001381419805 907197226 /nfs/dbraw/zinc/19/72/26/907197226.db2.gz LYJVYMBIBDEGFW-NXEZZACHSA-N 2 2 283.376 0.313 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+](C)C)o1 ZINC001381419809 907199126 /nfs/dbraw/zinc/19/91/26/907199126.db2.gz LYJVYMBIBDEGFW-VHSXEESVSA-N 2 2 283.376 0.313 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]2CCCC2)o1 ZINC001381455484 907214869 /nfs/dbraw/zinc/21/48/69/907214869.db2.gz VYSHWBZPODCLIE-QWRGUYRKSA-N 2 2 295.387 0.457 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)CCOC1CCC1 ZINC001381637806 907351043 /nfs/dbraw/zinc/35/10/43/907351043.db2.gz LYNWZWSPYWXZFR-CYBMUJFWSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)CCOC1CCC1 ZINC001381637806 907351050 /nfs/dbraw/zinc/35/10/50/907351050.db2.gz LYNWZWSPYWXZFR-CYBMUJFWSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@@H](CC(=O)N[C@@H]1C[N@H+](CCO)CC1(C)C)n1cc[nH+]c1 ZINC001381871484 907435993 /nfs/dbraw/zinc/43/59/93/907435993.db2.gz JDZJSKUAJGORBG-QWHCGFSZSA-N 2 2 294.399 0.653 20 0 CCADLP C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCO)CC1(C)C)n1cc[nH+]c1 ZINC001381871484 907436002 /nfs/dbraw/zinc/43/60/02/907436002.db2.gz JDZJSKUAJGORBG-QWHCGFSZSA-N 2 2 294.399 0.653 20 0 CCADLP Cc1nnc([C@H](C)[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)o1 ZINC001491568616 907437660 /nfs/dbraw/zinc/43/76/60/907437660.db2.gz LHULWGPEZQKIFK-UWVGGRQHSA-N 2 2 283.376 0.485 20 0 CCADLP CC[C@@H](C[NH2+][C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1)OC ZINC001491625016 907458428 /nfs/dbraw/zinc/45/84/28/907458428.db2.gz QFQHUUVKVLPTEO-QWRGUYRKSA-N 2 2 268.361 0.472 20 0 CCADLP COCCC[NH2+][C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001491649481 907483478 /nfs/dbraw/zinc/48/34/78/907483478.db2.gz HGOCARSWNJNPBV-SNVBAGLBSA-N 2 2 268.361 0.391 20 0 CCADLP CC[C@@H](C[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1)OC ZINC001491693741 907507313 /nfs/dbraw/zinc/50/73/13/907507313.db2.gz IUUHWMYTKGALKH-RYUDHWBXSA-N 2 2 268.361 0.402 20 0 CCADLP CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1cnsn1)[NH+](C)C ZINC001382161793 907580665 /nfs/dbraw/zinc/58/06/65/907580665.db2.gz RCPVOJKCBXGHOC-PWSUYJOCSA-N 2 2 299.444 0.815 20 0 CCADLP Cc1cc(N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)nc(N)[nH+]1 ZINC001338083890 921365799 /nfs/dbraw/zinc/36/57/99/921365799.db2.gz LBKQYXZYFCYUJV-GHMZBOCLSA-N 2 2 264.377 0.413 20 0 CCADLP Cc1cc(N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)nc(N)[nH+]1 ZINC001338083890 921365814 /nfs/dbraw/zinc/36/58/14/921365814.db2.gz LBKQYXZYFCYUJV-GHMZBOCLSA-N 2 2 264.377 0.413 20 0 CCADLP CC(C)[C@H](CO)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001308988690 908450699 /nfs/dbraw/zinc/45/06/99/908450699.db2.gz UPPQGZIUAZSTQD-KGLIPLIRSA-N 2 2 256.390 0.846 20 0 CCADLP CC[NH2+][C@H](CNC(=O)CCc1[nH+]ccn1C)C1CC1 ZINC001317021639 908924392 /nfs/dbraw/zinc/92/43/92/908924392.db2.gz FQKUCRNLIIFYFD-GFCCVEGCSA-N 2 2 264.373 0.857 20 0 CCADLP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC001338505957 921491251 /nfs/dbraw/zinc/49/12/51/921491251.db2.gz UAQGBSCBWKTUGS-GDBMZVCRSA-N 3 2 298.475 0.057 20 0 CCADLP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC001338505957 921491258 /nfs/dbraw/zinc/49/12/58/921491258.db2.gz UAQGBSCBWKTUGS-GDBMZVCRSA-N 3 2 298.475 0.057 20 0 CCADLP CC(C)[NH2+]CCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001317605503 909398184 /nfs/dbraw/zinc/39/81/84/909398184.db2.gz HVRAODKOODHDGX-LBPRGKRZSA-N 2 2 264.373 0.902 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[C@H]1CC[N@@H+](CCF)C1 ZINC001317813964 909509705 /nfs/dbraw/zinc/50/97/05/909509705.db2.gz PLAJBZXUMOWCDI-LBPRGKRZSA-N 2 2 268.336 0.681 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[C@H]1CC[N@H+](CCF)C1 ZINC001317813964 909509717 /nfs/dbraw/zinc/50/97/17/909509717.db2.gz PLAJBZXUMOWCDI-LBPRGKRZSA-N 2 2 268.336 0.681 20 0 CCADLP C[C@H](O)C[NH2+]CCC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001318937631 909928139 /nfs/dbraw/zinc/92/81/39/909928139.db2.gz MSDVULMFBQUCNZ-ZDUSSCGKSA-N 2 2 294.399 0.482 20 0 CCADLP Cc1nnc(C[NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)[nH]1 ZINC001389829814 910104514 /nfs/dbraw/zinc/10/45/14/910104514.db2.gz WZLLGHZAZYVCAP-LBPRGKRZSA-N 2 2 294.403 0.144 20 0 CCADLP Cc1nnc(C[NH2+][C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)[nH]1 ZINC001389829814 910104518 /nfs/dbraw/zinc/10/45/18/910104518.db2.gz WZLLGHZAZYVCAP-LBPRGKRZSA-N 2 2 294.403 0.144 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001319710190 910266557 /nfs/dbraw/zinc/26/65/57/910266557.db2.gz SELRQMLQDAHUIG-YPMHNXCESA-N 2 2 280.372 0.425 20 0 CCADLP CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1nncs1)[NH+](C)C ZINC001390511317 910484073 /nfs/dbraw/zinc/48/40/73/910484073.db2.gz UPGQAVNBWRCSKS-JQWIXIFHSA-N 2 2 299.444 0.719 20 0 CCADLP C[C@@H](CCNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1cnon1 ZINC001390686585 910590982 /nfs/dbraw/zinc/59/09/82/910590982.db2.gz ALSFVJITMKYMTK-NSHDSACASA-N 2 2 292.343 0.341 20 0 CCADLP COCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001320471516 910690128 /nfs/dbraw/zinc/69/01/28/910690128.db2.gz XYORGTPYYCYVTA-QWHCGFSZSA-N 2 2 294.399 0.576 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@H+](C)CCCF ZINC001390827813 910710727 /nfs/dbraw/zinc/71/07/27/910710727.db2.gz CWDHHBRZRVNHQY-NSHDSACASA-N 2 2 270.352 0.996 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@@H+](C)CCCF ZINC001390827813 910710736 /nfs/dbraw/zinc/71/07/36/910710736.db2.gz CWDHHBRZRVNHQY-NSHDSACASA-N 2 2 270.352 0.996 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@H+](C)CCCF ZINC001390827813 910710750 /nfs/dbraw/zinc/71/07/50/910710750.db2.gz CWDHHBRZRVNHQY-NSHDSACASA-N 2 2 270.352 0.996 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@@H+](C)CCCF ZINC001390827813 910710759 /nfs/dbraw/zinc/71/07/59/910710759.db2.gz CWDHHBRZRVNHQY-NSHDSACASA-N 2 2 270.352 0.996 20 0 CCADLP COC[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001391077434 910851213 /nfs/dbraw/zinc/85/12/13/910851213.db2.gz DKLZDKXVKNZRKA-CHWSQXEVSA-N 2 2 280.372 0.499 20 0 CCADLP COC[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001391077434 910851221 /nfs/dbraw/zinc/85/12/21/910851221.db2.gz DKLZDKXVKNZRKA-CHWSQXEVSA-N 2 2 280.372 0.499 20 0 CCADLP CC[C@H](C(=O)NC1C[NH+](CCC[C@H](C)O)C1)[NH+](C)C ZINC001391420991 911117010 /nfs/dbraw/zinc/11/70/10/911117010.db2.gz PFDRNRAZZZEIDK-WCQYABFASA-N 2 2 271.405 0.288 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1Cc1nccn1C ZINC001417848324 921640520 /nfs/dbraw/zinc/64/05/20/921640520.db2.gz BBDXHUMJDKSMFS-OLZOCXBDSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1Cc1nccn1C ZINC001417848324 921640523 /nfs/dbraw/zinc/64/05/23/921640523.db2.gz BBDXHUMJDKSMFS-OLZOCXBDSA-N 2 2 293.415 0.451 20 0 CCADLP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1nnc(C)o1 ZINC001391745959 911382948 /nfs/dbraw/zinc/38/29/48/911382948.db2.gz ACCXZCUJGHONQZ-GFCCVEGCSA-N 2 2 295.387 0.458 20 0 CCADLP C[C@H](C[NH2+]CC1CCOCC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001392104646 911575881 /nfs/dbraw/zinc/57/58/81/911575881.db2.gz BUGYRQSNZVCHCU-GFCCVEGCSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H]([NH2+]CCO)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001392182075 911620335 /nfs/dbraw/zinc/62/03/35/911620335.db2.gz AEJPAEJIUKLTGA-RYUDHWBXSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@H](C[NH2+]Cc1cncs1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001392520236 911885396 /nfs/dbraw/zinc/88/53/96/911885396.db2.gz LWILVHUNIXANKR-SECBINFHSA-N 2 2 279.369 0.703 20 0 CCADLP Cc1noc(C)c1C[NH2+]C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001392601531 911979752 /nfs/dbraw/zinc/97/97/52/911979752.db2.gz BCVZBBLYBDDXGO-VIFPVBQESA-N 2 2 291.355 0.852 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1csnn1 ZINC001392610256 911990211 /nfs/dbraw/zinc/99/02/11/911990211.db2.gz MGTIVPUUABVLDY-JTQLQIEISA-N 2 2 285.417 0.474 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1csnn1 ZINC001392610256 911990231 /nfs/dbraw/zinc/99/02/31/911990231.db2.gz MGTIVPUUABVLDY-JTQLQIEISA-N 2 2 285.417 0.474 20 0 CCADLP COC[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001392713778 912108130 /nfs/dbraw/zinc/10/81/30/912108130.db2.gz OPLQAABXCQOXJH-WDEREUQCSA-N 2 2 282.388 0.732 20 0 CCADLP COC[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001392713778 912108140 /nfs/dbraw/zinc/10/81/40/912108140.db2.gz OPLQAABXCQOXJH-WDEREUQCSA-N 2 2 282.388 0.732 20 0 CCADLP C[C@H](CCNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1cnon1 ZINC001399411017 915156368 /nfs/dbraw/zinc/15/63/68/915156368.db2.gz CGAXNZORJKJMQW-SNVBAGLBSA-N 2 2 292.343 0.030 20 0 CCADLP CC[N@H+](C)CCC(=O)NCC[NH+](C)Cc1cnoc1C ZINC001399612237 915270641 /nfs/dbraw/zinc/27/06/41/915270641.db2.gz ITIMLFMMRYKWKA-UHFFFAOYSA-N 2 2 282.388 0.873 20 0 CCADLP CC[N@@H+](C)CCC(=O)NCC[NH+](C)Cc1cnoc1C ZINC001399612237 915270652 /nfs/dbraw/zinc/27/06/52/915270652.db2.gz ITIMLFMMRYKWKA-UHFFFAOYSA-N 2 2 282.388 0.873 20 0 CCADLP CC[NH+](C)CCC(=O)NCC[N@H+](C)Cc1cnoc1C ZINC001399612237 915270665 /nfs/dbraw/zinc/27/06/65/915270665.db2.gz ITIMLFMMRYKWKA-UHFFFAOYSA-N 2 2 282.388 0.873 20 0 CCADLP CC[NH+](C)CCC(=O)NCC[N@@H+](C)Cc1cnoc1C ZINC001399612237 915270680 /nfs/dbraw/zinc/27/06/80/915270680.db2.gz ITIMLFMMRYKWKA-UHFFFAOYSA-N 2 2 282.388 0.873 20 0 CCADLP Cc1ncoc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001400594369 915821886 /nfs/dbraw/zinc/82/18/86/915821886.db2.gz GODIVBHDPCNRDR-STQMWFEESA-N 2 2 292.383 0.720 20 0 CCADLP Cc1ncoc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001400594369 915821903 /nfs/dbraw/zinc/82/19/03/915821903.db2.gz GODIVBHDPCNRDR-STQMWFEESA-N 2 2 292.383 0.720 20 0 CCADLP C[C@H](CC(=O)NC[C@H](C)[N@H+](C)CCO)n1cc[nH+]c1 ZINC001329562063 916014640 /nfs/dbraw/zinc/01/46/40/916014640.db2.gz WUXAGUXGJTWZMB-NEPJUHHUSA-N 2 2 268.361 0.263 20 0 CCADLP C[C@H](CC(=O)NC[C@H](C)[N@@H+](C)CCO)n1cc[nH+]c1 ZINC001329562063 916014652 /nfs/dbraw/zinc/01/46/52/916014652.db2.gz WUXAGUXGJTWZMB-NEPJUHHUSA-N 2 2 268.361 0.263 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)C12CCC[NH+]1CCC2 ZINC001329607202 916060759 /nfs/dbraw/zinc/06/07/59/916060759.db2.gz JTSYBPAITQFOOD-UHFFFAOYSA-N 2 2 262.357 0.707 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CCO ZINC001401340825 916181487 /nfs/dbraw/zinc/18/14/87/916181487.db2.gz ZYZOKGFHFFTIGP-IJLUTSLNSA-N 2 2 280.372 0.236 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CCO ZINC001401340825 916181491 /nfs/dbraw/zinc/18/14/91/916181491.db2.gz ZYZOKGFHFFTIGP-IJLUTSLNSA-N 2 2 280.372 0.236 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH+](C)CCF)C1 ZINC001401795420 916591363 /nfs/dbraw/zinc/59/13/63/916591363.db2.gz ARRBTBLJHSQKFX-RYUDHWBXSA-N 2 2 275.368 0.113 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)C[NH+](C)CCF)C1 ZINC001401795420 916591369 /nfs/dbraw/zinc/59/13/69/916591369.db2.gz ARRBTBLJHSQKFX-RYUDHWBXSA-N 2 2 275.368 0.113 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCF)C1 ZINC001401795420 916591379 /nfs/dbraw/zinc/59/13/79/916591379.db2.gz ARRBTBLJHSQKFX-RYUDHWBXSA-N 2 2 275.368 0.113 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCF)C1 ZINC001401795420 916591383 /nfs/dbraw/zinc/59/13/83/916591383.db2.gz ARRBTBLJHSQKFX-RYUDHWBXSA-N 2 2 275.368 0.113 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@]1(C)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001402191980 916860560 /nfs/dbraw/zinc/86/05/60/916860560.db2.gz XODJRKYEIBVONK-TZMCWYRMSA-N 2 2 280.372 0.092 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+]CC2CC2)CCOCC1 ZINC001402237091 916887058 /nfs/dbraw/zinc/88/70/58/916887058.db2.gz ITACBSXNAIDECU-UHFFFAOYSA-N 2 2 292.383 0.617 20 0 CCADLP Cc1cc(C)c(CNC(=O)C(=O)NCC[C@H](C)[NH3+])c[nH+]1 ZINC001330863390 916930950 /nfs/dbraw/zinc/93/09/50/916930950.db2.gz XHDBIUROOSAAFX-JTQLQIEISA-N 2 2 278.356 0.168 20 0 CCADLP C[NH+](C)CCCC(=O)N1CC[C@H]([NH2+]Cc2nncs2)C1 ZINC001402445661 917022194 /nfs/dbraw/zinc/02/21/94/917022194.db2.gz SLJCRKFCRRAEIS-NSHDSACASA-N 2 2 297.428 0.570 20 0 CCADLP Cc1noc(C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C)n1 ZINC001402909751 917339798 /nfs/dbraw/zinc/33/97/98/917339798.db2.gz SJBWIHWFFSWCLA-MFKMUULPSA-N 2 2 297.403 0.559 20 0 CCADLP CC(C)C[C@H](C(=O)NC[C@H](C)[N@H+](C)CCO)n1cc[nH+]c1 ZINC001403136585 917518954 /nfs/dbraw/zinc/51/89/54/917518954.db2.gz WTVONGXNEKXJJO-UONOGXRCSA-N 2 2 296.415 0.899 20 0 CCADLP CC(C)C[C@H](C(=O)NC[C@H](C)[N@@H+](C)CCO)n1cc[nH+]c1 ZINC001403136585 917518972 /nfs/dbraw/zinc/51/89/72/917518972.db2.gz WTVONGXNEKXJJO-UONOGXRCSA-N 2 2 296.415 0.899 20 0 CCADLP CC(C)C[C@@H](C(=O)NC[C@H](C)[N@H+](C)CCO)n1cc[nH+]c1 ZINC001403136576 917521376 /nfs/dbraw/zinc/52/13/76/917521376.db2.gz WTVONGXNEKXJJO-KBPBESRZSA-N 2 2 296.415 0.899 20 0 CCADLP CC(C)C[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CCO)n1cc[nH+]c1 ZINC001403136576 917521388 /nfs/dbraw/zinc/52/13/88/917521388.db2.gz WTVONGXNEKXJJO-KBPBESRZSA-N 2 2 296.415 0.899 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)Cc1cnn(C)c1 ZINC001403212050 917586466 /nfs/dbraw/zinc/58/64/66/917586466.db2.gz GCNKBFWPZJSHCU-GFCCVEGCSA-N 2 2 290.371 0.253 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)Cc1cnn(C)c1 ZINC001403212050 917586475 /nfs/dbraw/zinc/58/64/75/917586475.db2.gz GCNKBFWPZJSHCU-GFCCVEGCSA-N 2 2 290.371 0.253 20 0 CCADLP COC[C@H](C)[NH+]1CC([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001403316930 917645226 /nfs/dbraw/zinc/64/52/26/917645226.db2.gz CHCSZYDYVCKYPO-WDEREUQCSA-N 2 2 280.372 0.424 20 0 CCADLP CC(C)C[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CCO)n1cc[nH+]c1 ZINC001403557207 917811913 /nfs/dbraw/zinc/81/19/13/917811913.db2.gz LRQYXWAIMDPWKO-ZIAGYGMSSA-N 2 2 296.415 0.899 20 0 CCADLP CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+]Cc1csnn1 ZINC001403629220 917863255 /nfs/dbraw/zinc/86/32/55/917863255.db2.gz LKHQKNMDLXMEFL-LLVKDONJSA-N 2 2 299.444 0.816 20 0 CCADLP CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+]Cc1csnn1 ZINC001403629220 917863264 /nfs/dbraw/zinc/86/32/64/917863264.db2.gz LKHQKNMDLXMEFL-LLVKDONJSA-N 2 2 299.444 0.816 20 0 CCADLP C[NH+](C)CCC(=O)NC[C@@H](CO)[NH2+]C/C(Cl)=C/Cl ZINC001403700518 917943049 /nfs/dbraw/zinc/94/30/49/917943049.db2.gz LGRCIZSUKDTRKY-BSKOKIOFSA-N 2 2 298.214 0.324 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC001332558516 918276151 /nfs/dbraw/zinc/27/61/51/918276151.db2.gz WXFCTTKYAJCTEE-LBPRGKRZSA-N 2 2 251.334 0.300 20 0 CCADLP C[C@@H](O)C[NH+]1CC(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001404835786 918486194 /nfs/dbraw/zinc/48/61/94/918486194.db2.gz KALSWBRRZHRRHR-CYBMUJFWSA-N 2 2 283.416 0.434 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@](C)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001405511546 918786722 /nfs/dbraw/zinc/78/67/22/918786722.db2.gz QREWZRTZEODJBJ-QMTHXVAHSA-N 2 2 280.372 0.208 20 0 CCADLP CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cnsn1)[NH+](C)C ZINC001405914962 918973849 /nfs/dbraw/zinc/97/38/49/918973849.db2.gz ZDNAUKPIVGWKRW-JQWIXIFHSA-N 2 2 299.444 0.815 20 0 CCADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2CN2C[C@@H]3CCO[C@@H]3C2=O)C1 ZINC001333792685 919167001 /nfs/dbraw/zinc/16/70/01/919167001.db2.gz XRGUIDIKDWAJOB-AJNGGQMLSA-N 2 2 293.411 0.607 20 0 CCADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2CN2C[C@@H]3CCO[C@@H]3C2=O)C1 ZINC001333792685 919167014 /nfs/dbraw/zinc/16/70/14/919167014.db2.gz XRGUIDIKDWAJOB-AJNGGQMLSA-N 2 2 293.411 0.607 20 0 CCADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2CN2C[C@@H]3CCO[C@@H]3C2=O)C1 ZINC001333792685 919167029 /nfs/dbraw/zinc/16/70/29/919167029.db2.gz XRGUIDIKDWAJOB-AJNGGQMLSA-N 2 2 293.411 0.607 20 0 CCADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2CN2C[C@@H]3CCO[C@@H]3C2=O)C1 ZINC001333792685 919167046 /nfs/dbraw/zinc/16/70/46/919167046.db2.gz XRGUIDIKDWAJOB-AJNGGQMLSA-N 2 2 293.411 0.607 20 0 CCADLP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cn(C)nn1 ZINC001334040105 919337291 /nfs/dbraw/zinc/33/72/91/919337291.db2.gz OBIDMZUIVRLSFF-NWDGAFQWSA-N 2 2 266.393 0.102 20 0 CCADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCc1c[nH+]cn1C ZINC001334226724 919437753 /nfs/dbraw/zinc/43/77/53/919437753.db2.gz FESKJSPZXNFJJR-VHSXEESVSA-N 2 2 251.334 0.312 20 0 CCADLP C[N@H+](CC(=O)NC[C@@H]1CC[NH+]1C)Cc1ccccc1 ZINC001334376646 919535820 /nfs/dbraw/zinc/53/58/20/919535820.db2.gz XWRDDBNLOUUWIG-AWEZNQCLSA-N 2 2 261.369 0.939 20 0 CCADLP C[N@@H+](CC(=O)NC[C@@H]1CC[NH+]1C)Cc1ccccc1 ZINC001334376646 919535836 /nfs/dbraw/zinc/53/58/36/919535836.db2.gz XWRDDBNLOUUWIG-AWEZNQCLSA-N 2 2 261.369 0.939 20 0 CCADLP C[NH+](CC(=O)NC[C@@H]1CC[N@@H+]1C)Cc1ccccc1 ZINC001334376646 919535851 /nfs/dbraw/zinc/53/58/51/919535851.db2.gz XWRDDBNLOUUWIG-AWEZNQCLSA-N 2 2 261.369 0.939 20 0 CCADLP C[NH+](CC(=O)NC[C@@H]1CC[N@H+]1C)Cc1ccccc1 ZINC001334376646 919535870 /nfs/dbraw/zinc/53/58/70/919535870.db2.gz XWRDDBNLOUUWIG-AWEZNQCLSA-N 2 2 261.369 0.939 20 0 CCADLP C[NH+]1CCC(C(=O)NCC2([NH2+]Cc3cnon3)CC2)CC1 ZINC001406954528 919552144 /nfs/dbraw/zinc/55/21/44/919552144.db2.gz MGOAVSREYZTNBO-UHFFFAOYSA-N 2 2 293.371 0.150 20 0 CCADLP O=C(NCC1([NH2+]CCO)CC1)c1cccc2[nH+]ccn21 ZINC001406962528 919559057 /nfs/dbraw/zinc/55/90/57/919559057.db2.gz WAXGOZFLCWDHPB-UHFFFAOYSA-N 2 2 274.324 0.179 20 0 CCADLP C[C@H](O)C[NH+]1CCC(C)(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001407124101 919624430 /nfs/dbraw/zinc/62/44/30/919624430.db2.gz QCQVNSMYICPVMB-ZDUSSCGKSA-N 2 2 294.399 0.625 20 0 CCADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001334859479 919806785 /nfs/dbraw/zinc/80/67/85/919806785.db2.gz XCVMKXMCNWPDPW-UTUOFQBUSA-N 2 2 260.341 0.266 20 0 CCADLP CCC[NH2+][C@]1(CO)CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001408025240 919993170 /nfs/dbraw/zinc/99/31/70/919993170.db2.gz MOEBQCAELRMYEB-OAHLLOKOSA-N 2 2 294.399 0.316 20 0 CCADLP O=C(NCCn1cc[nH+]c1)N1CCC[C@]12CC[NH2+]C2 ZINC001335325935 920121948 /nfs/dbraw/zinc/12/19/48/920121948.db2.gz BFKBKJDELAQCFM-CYBMUJFWSA-N 2 2 263.345 0.421 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)NCCCOC(F)F)CC1 ZINC001335524670 920253988 /nfs/dbraw/zinc/25/39/88/920253988.db2.gz FEEWVVDXPZJKSI-UHFFFAOYSA-N 2 2 294.346 0.338 20 0 CCADLP COC[C@H](O)C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001335933978 920519887 /nfs/dbraw/zinc/51/98/87/920519887.db2.gz PDVQOBXMIIKQLR-NEPJUHHUSA-N 2 2 255.362 0.895 20 0 CCADLP NC(=O)OCC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001336021147 920569671 /nfs/dbraw/zinc/56/96/71/920569671.db2.gz XEDYCBTUZATZHD-HNNXBMFYSA-N 2 2 293.367 0.722 20 0 CCADLP NC(=O)OCC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001336021147 920569678 /nfs/dbraw/zinc/56/96/78/920569678.db2.gz XEDYCBTUZATZHD-HNNXBMFYSA-N 2 2 293.367 0.722 20 0 CCADLP [NH3+]Cc1nc2c(s1)CC[N@@H+](C1CC(C[NH3+])C1)C2 ZINC001336117784 920616875 /nfs/dbraw/zinc/61/68/75/920616875.db2.gz CNWDWWAITNIAFP-UHFFFAOYSA-N 3 2 252.387 0.697 20 0 CCADLP [NH3+]Cc1nc2c(s1)CC[N@H+](C1CC(C[NH3+])C1)C2 ZINC001336117784 920616884 /nfs/dbraw/zinc/61/68/84/920616884.db2.gz CNWDWWAITNIAFP-UHFFFAOYSA-N 3 2 252.387 0.697 20 0 CCADLP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001336657978 920908838 /nfs/dbraw/zinc/90/88/38/920908838.db2.gz GXWWFETWNYCOIB-QWRGUYRKSA-N 2 2 250.346 0.656 20 0 CCADLP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001336657978 920908853 /nfs/dbraw/zinc/90/88/53/920908853.db2.gz GXWWFETWNYCOIB-QWRGUYRKSA-N 2 2 250.346 0.656 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC001336742272 920971986 /nfs/dbraw/zinc/97/19/86/920971986.db2.gz NCHLSLGUEOMQJV-UZWSLXQKSA-N 2 2 260.341 0.866 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC001336742272 920972003 /nfs/dbraw/zinc/97/20/03/920972003.db2.gz NCHLSLGUEOMQJV-UZWSLXQKSA-N 2 2 260.341 0.866 20 0 CCADLP CC(C)C[C@H](C(=O)NC[C@H](C)[NH2+]CCO)n1cc[nH+]c1 ZINC001418236076 921949420 /nfs/dbraw/zinc/94/94/20/921949420.db2.gz KXCBDEHJNWZFFW-QWHCGFSZSA-N 2 2 282.388 0.557 20 0 CCADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]C[C@@H]1CCCCO1 ZINC001418257659 921964194 /nfs/dbraw/zinc/96/41/94/921964194.db2.gz QGQREJRCFNDYIA-KGLIPLIRSA-N 2 2 294.399 0.937 20 0 CCADLP C[C@@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]C[C@@H]1CCOC1 ZINC001418268402 921977428 /nfs/dbraw/zinc/97/74/28/921977428.db2.gz YBUZKVQZGXVPPV-STQMWFEESA-N 2 2 294.399 0.484 20 0 CCADLP COC[C@H](C)[N@H+](C)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001418507607 922199609 /nfs/dbraw/zinc/19/96/09/922199609.db2.gz WIICWYGFZFICJU-NEPJUHHUSA-N 2 2 282.388 0.671 20 0 CCADLP COC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001418507607 922199617 /nfs/dbraw/zinc/19/96/17/922199617.db2.gz WIICWYGFZFICJU-NEPJUHHUSA-N 2 2 282.388 0.671 20 0 CCADLP COC[C@H](C)[N@H+](C)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001418507607 922199627 /nfs/dbraw/zinc/19/96/27/922199627.db2.gz WIICWYGFZFICJU-NEPJUHHUSA-N 2 2 282.388 0.671 20 0 CCADLP COC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001418507607 922199633 /nfs/dbraw/zinc/19/96/33/922199633.db2.gz WIICWYGFZFICJU-NEPJUHHUSA-N 2 2 282.388 0.671 20 0 CCADLP C[N@H+](CCNC(=O)Cn1cc[nH+]c1)C[C@@H]1C[C@@]12CCOC2 ZINC001418526542 922218382 /nfs/dbraw/zinc/21/83/82/922218382.db2.gz AIUMEHWLXQPSMQ-DZGCQCFKSA-N 2 2 292.383 0.358 20 0 CCADLP C[N@@H+](CCNC(=O)Cn1cc[nH+]c1)C[C@@H]1C[C@@]12CCOC2 ZINC001418526542 922218396 /nfs/dbraw/zinc/21/83/96/922218396.db2.gz AIUMEHWLXQPSMQ-DZGCQCFKSA-N 2 2 292.383 0.358 20 0 CCADLP Cc1oncc1C[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001418599851 922295320 /nfs/dbraw/zinc/29/53/20/922295320.db2.gz NVIMHKSSAOJIDR-AWEZNQCLSA-N 2 2 294.399 0.967 20 0 CCADLP Cc1oncc1C[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001418599851 922295334 /nfs/dbraw/zinc/29/53/34/922295334.db2.gz NVIMHKSSAOJIDR-AWEZNQCLSA-N 2 2 294.399 0.967 20 0 CCADLP CC[C@@H](C[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1)OC ZINC001418688927 922363215 /nfs/dbraw/zinc/36/32/15/922363215.db2.gz PEWYWNYMQPUJHB-OCCSQVGLSA-N 2 2 294.399 0.815 20 0 CCADLP CC[C@@H](C[N@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1)OC ZINC001418688927 922363223 /nfs/dbraw/zinc/36/32/23/922363223.db2.gz PEWYWNYMQPUJHB-OCCSQVGLSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)c1csnn1 ZINC001418837217 922448621 /nfs/dbraw/zinc/44/86/21/922448621.db2.gz ZFKXBTKGFRCZMU-GHMZBOCLSA-N 2 2 297.428 0.599 20 0 CCADLP C[C@@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)c1csnn1 ZINC001418837217 922448629 /nfs/dbraw/zinc/44/86/29/922448629.db2.gz ZFKXBTKGFRCZMU-GHMZBOCLSA-N 2 2 297.428 0.599 20 0 CCADLP OCCCC[NH+]1CCN(CCn2cc[nH+]c2)CC1 ZINC001341425393 922479882 /nfs/dbraw/zinc/47/98/82/922479882.db2.gz QMTVRNDNBJYOKQ-UHFFFAOYSA-N 2 2 252.362 0.273 20 0 CCADLP O=C(/C=C\C[NH+]1CCOCC1)NC1(C2CC[NH2+]CC2)CC1 ZINC001341525627 922532791 /nfs/dbraw/zinc/53/27/91/922532791.db2.gz GSOFHFGGOAGHED-UPHRSURJSA-N 2 2 293.411 0.523 20 0 CCADLP O=C(CC[NH+]1CCOCC1)NC1C[NH+](CCC2CC2)C1 ZINC001418995529 922550511 /nfs/dbraw/zinc/55/05/11/922550511.db2.gz UKSIHGONXIGLNK-UHFFFAOYSA-N 2 2 281.400 0.309 20 0 CCADLP O=C(NCC[NH+]1CCCC1)[C@H]1[NH2+]CCc2occc21 ZINC001341629658 922589509 /nfs/dbraw/zinc/58/95/09/922589509.db2.gz IJJYGSCKFSPSGM-ZDUSSCGKSA-N 2 2 263.341 0.678 20 0 CCADLP CC1(C)CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@@H]1[NH3+] ZINC001341710702 922638174 /nfs/dbraw/zinc/63/81/74/922638174.db2.gz GDOJJDCNASPZHJ-QWRGUYRKSA-N 2 2 262.357 0.641 20 0 CCADLP Cc1sc(C[NH3+])nc1C(=O)N1CCC[N@H+](C)CC1 ZINC001341750701 922655390 /nfs/dbraw/zinc/65/53/90/922655390.db2.gz JKNDXAFPAIFIGJ-UHFFFAOYSA-N 2 2 268.386 0.688 20 0 CCADLP C[C@@H]1C[C@H](C)N(C(=O)C[C@@H]([NH3+])C(F)F)C[C@H]1C[NH3+] ZINC001341974553 922747054 /nfs/dbraw/zinc/74/70/54/922747054.db2.gz LHEHXIBIQHDCGZ-UTINFBMNSA-N 2 2 263.332 0.801 20 0 CCADLP C[C@@H]1C[C@H](C)N(C(=O)C[C@@H]([NH3+])C(F)F)C[C@@H]1C[NH3+] ZINC001341974554 922746401 /nfs/dbraw/zinc/74/64/01/922746401.db2.gz LHEHXIBIQHDCGZ-XFWSIPNHSA-N 2 2 263.332 0.801 20 0 CCADLP CC(C)[NH2+]C[C@](C)(NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001419339926 922773264 /nfs/dbraw/zinc/77/32/64/922773264.db2.gz NEMREUDZWVYINJ-ZFWWWQNUSA-N 2 2 283.416 0.600 20 0 CCADLP CC(C)[NH2+]C[C@](C)(NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001419339926 922773276 /nfs/dbraw/zinc/77/32/76/922773276.db2.gz NEMREUDZWVYINJ-ZFWWWQNUSA-N 2 2 283.416 0.600 20 0 CCADLP C[C@@H](C(=O)NC[C@H]1CCC[NH2+]CC1)n1cc[nH+]c1 ZINC001342081729 922794434 /nfs/dbraw/zinc/79/44/34/922794434.db2.gz IVTAQWXFDFCWDP-RYUDHWBXSA-N 2 2 250.346 0.950 20 0 CCADLP O=C(N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)[C@@H]1CCc2[nH+]ccn2C1 ZINC001342182170 922852129 /nfs/dbraw/zinc/85/21/29/922852129.db2.gz BPKRAMVGTCZMRN-WRWGMCAJSA-N 2 2 260.341 0.455 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001419470347 922862557 /nfs/dbraw/zinc/86/25/57/922862557.db2.gz MTNYDFOHCJHSTA-RTXFEEFZSA-N 2 2 280.372 0.614 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001419470347 922862570 /nfs/dbraw/zinc/86/25/70/922862570.db2.gz MTNYDFOHCJHSTA-RTXFEEFZSA-N 2 2 280.372 0.614 20 0 CCADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC001342302989 922902125 /nfs/dbraw/zinc/90/21/25/922902125.db2.gz JQHGEPFJKSTDRF-NMJJRHIFSA-N 2 2 295.427 0.577 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001342548890 922996513 /nfs/dbraw/zinc/99/65/13/922996513.db2.gz LVUYHUDHPKLLTL-ZDUSSCGKSA-N 3 2 268.405 0.010 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001342548890 922996521 /nfs/dbraw/zinc/99/65/21/922996521.db2.gz LVUYHUDHPKLLTL-ZDUSSCGKSA-N 3 2 268.405 0.010 20 0 CCADLP COCC[C@@H]1C[NH2+]CCN1C(=O)CCn1cc[nH+]c1 ZINC001342991286 923156065 /nfs/dbraw/zinc/15/60/65/923156065.db2.gz APKNSWNEQXWYSY-GFCCVEGCSA-N 2 2 266.345 0.110 20 0 CCADLP CC(C)(C(=O)N1CCC[C@@H](C[NH3+])C1)c1c[nH+]c[nH]1 ZINC001343037600 923177076 /nfs/dbraw/zinc/17/70/76/923177076.db2.gz MZAUUHPYAWSXEO-JTQLQIEISA-N 2 2 250.346 0.885 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001343148054 923219914 /nfs/dbraw/zinc/21/99/14/923219914.db2.gz VLDIYWIQGQJJDM-FZMZJTMJSA-N 2 2 262.357 0.943 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001343148054 923219924 /nfs/dbraw/zinc/21/99/24/923219924.db2.gz VLDIYWIQGQJJDM-FZMZJTMJSA-N 2 2 262.357 0.943 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001343234157 923241799 /nfs/dbraw/zinc/24/17/99/923241799.db2.gz PZWFUQXZIQBZDP-MJVIPROJSA-N 2 2 262.357 0.847 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001343234157 923241810 /nfs/dbraw/zinc/24/18/10/923241810.db2.gz PZWFUQXZIQBZDP-MJVIPROJSA-N 2 2 262.357 0.847 20 0 CCADLP [NH3+][C@@H](CC(=O)NCC[C@@H]1CCC[NH2+]CC1)C(F)F ZINC001343765061 923462516 /nfs/dbraw/zinc/46/25/16/923462516.db2.gz MTQGWAVIGDZZSU-ZJUUUORDSA-N 2 2 263.332 0.865 20 0 CCADLP COc1ncccc1C[N@H+](C)CCNC(=O)CC[NH+](C)C ZINC001420290678 923507716 /nfs/dbraw/zinc/50/77/16/923507716.db2.gz OUZBVLYLZPNZOG-UHFFFAOYSA-N 2 2 294.399 0.590 20 0 CCADLP COc1ncccc1C[N@@H+](C)CCNC(=O)CC[NH+](C)C ZINC001420290678 923507727 /nfs/dbraw/zinc/50/77/27/923507727.db2.gz OUZBVLYLZPNZOG-UHFFFAOYSA-N 2 2 294.399 0.590 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccn1 ZINC001420847123 923979926 /nfs/dbraw/zinc/97/99/26/923979926.db2.gz LNSBGFXTPLKMGZ-HNNXBMFYSA-N 2 2 299.378 0.977 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccn1 ZINC001420847123 923979934 /nfs/dbraw/zinc/97/99/34/923979934.db2.gz LNSBGFXTPLKMGZ-HNNXBMFYSA-N 2 2 299.378 0.977 20 0 CCADLP C[C@H](O)CCC[N@@H+]1CC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001420890834 924003160 /nfs/dbraw/zinc/00/31/60/924003160.db2.gz YMGLSHJUMXRZOJ-STQMWFEESA-N 2 2 294.399 0.314 20 0 CCADLP C[C@H](O)CCC[N@H+]1CC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001420890834 924003173 /nfs/dbraw/zinc/00/31/73/924003173.db2.gz YMGLSHJUMXRZOJ-STQMWFEESA-N 2 2 294.399 0.314 20 0 CCADLP Cn1ccnc1C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001421002662 924086983 /nfs/dbraw/zinc/08/69/83/924086983.db2.gz OGGCDMYYNGFFBP-UHFFFAOYSA-N 2 2 291.399 0.254 20 0 CCADLP C[C@](O)(C[C@@H](O)C[NH2+][C@@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC001346338160 924166879 /nfs/dbraw/zinc/16/68/79/924166879.db2.gz DKNQAJFIYLJYOS-BNOWGMLFSA-N 2 2 265.357 0.309 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC1C[NH+](Cc2cncn2C)C1 ZINC001421184310 924197355 /nfs/dbraw/zinc/19/73/55/924197355.db2.gz QZLCEMHKAKEGDQ-UHFFFAOYSA-N 2 2 293.415 0.310 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC1C[NH+](Cc2cncn2C)C1 ZINC001421184310 924197361 /nfs/dbraw/zinc/19/73/61/924197361.db2.gz QZLCEMHKAKEGDQ-UHFFFAOYSA-N 2 2 293.415 0.310 20 0 CCADLP C[C@H]1CC[C@H](C[NH+]2CC(CNC(=O)Cn3cc[nH+]c3)C2)O1 ZINC001421195522 924204724 /nfs/dbraw/zinc/20/47/24/924204724.db2.gz VXZLZCZKJQKSHK-GXTWGEPZSA-N 2 2 292.383 0.499 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)N(C2CC2)C2CC2)CC1 ZINC001346569122 924266078 /nfs/dbraw/zinc/26/60/78/924266078.db2.gz CWCIRLSCBGSZRN-UHFFFAOYSA-N 2 2 266.389 0.746 20 0 CCADLP O=C(NCC1CC[NH2+]CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001351283130 925398392 /nfs/dbraw/zinc/39/83/92/925398392.db2.gz HCQIXBVIWIYNGH-GFCCVEGCSA-N 2 2 262.357 0.561 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1c[nH+]cn1C ZINC001353500055 925850016 /nfs/dbraw/zinc/85/00/16/925850016.db2.gz JSWJBVZZRFIKSD-ZYHUDNBSSA-N 2 2 265.361 0.831 20 0 CCADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCC[NH+]2CC=CC2)[nH]n1 ZINC001353625907 925888751 /nfs/dbraw/zinc/88/87/51/925888751.db2.gz CAZWOTBFNVBDNV-AWEZNQCLSA-N 2 2 289.383 0.778 20 0 CCADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)NCC[NH+]2CC=CC2)[nH]n1 ZINC001353625907 925888761 /nfs/dbraw/zinc/88/87/61/925888761.db2.gz CAZWOTBFNVBDNV-AWEZNQCLSA-N 2 2 289.383 0.778 20 0 CCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001353665907 925899446 /nfs/dbraw/zinc/89/94/46/925899446.db2.gz JNFXEGPFDPWTNH-WZRBSPASSA-N 2 2 260.341 0.266 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC001353929636 925965749 /nfs/dbraw/zinc/96/57/49/925965749.db2.gz WNMCFSJPSOSWLG-NSHDSACASA-N 2 2 262.357 0.943 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC001353929636 925965753 /nfs/dbraw/zinc/96/57/53/925965753.db2.gz WNMCFSJPSOSWLG-NSHDSACASA-N 2 2 262.357 0.943 20 0 CCADLP CCC[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001413981078 926720935 /nfs/dbraw/zinc/72/09/35/926720935.db2.gz ROEUNFZSAACGBC-KGLIPLIRSA-N 2 2 283.416 0.562 20 0 CCADLP CCC[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001413981078 926720943 /nfs/dbraw/zinc/72/09/43/926720943.db2.gz ROEUNFZSAACGBC-KGLIPLIRSA-N 2 2 283.416 0.562 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NCC1([NH2+]CCO)CCC1 ZINC001421784561 926909128 /nfs/dbraw/zinc/90/91/28/926909128.db2.gz PRGSISFWMKYWBC-UHFFFAOYSA-N 2 2 280.372 0.284 20 0 CCADLP CNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001421958382 927015407 /nfs/dbraw/zinc/01/54/07/927015407.db2.gz MTHHTDPLCUMGEW-RYUDHWBXSA-N 2 2 295.387 0.017 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+](C)[C@H](C)C(N)=O ZINC001422242020 927172175 /nfs/dbraw/zinc/17/21/75/927172175.db2.gz CAGBNMGWRGZSON-OLZOCXBDSA-N 2 2 298.431 0.125 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+](C)[C@H](C)C(N)=O ZINC001422242020 927172185 /nfs/dbraw/zinc/17/21/85/927172185.db2.gz CAGBNMGWRGZSON-OLZOCXBDSA-N 2 2 298.431 0.125 20 0 CCADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)CC[N@H+](C)[C@H](C)C(N)=O ZINC001422242020 927172191 /nfs/dbraw/zinc/17/21/91/927172191.db2.gz CAGBNMGWRGZSON-OLZOCXBDSA-N 2 2 298.431 0.125 20 0 CCADLP CC[NH+]1CCCC[C@H]1C(=O)N(C)CC[N@@H+](C)[C@H](C)C(N)=O ZINC001422242020 927172198 /nfs/dbraw/zinc/17/21/98/927172198.db2.gz CAGBNMGWRGZSON-OLZOCXBDSA-N 2 2 298.431 0.125 20 0 CCADLP C[C@@H]1CC[C@@H](C[N@H+](C)CCN(C)C(=O)Cn2cc[nH+]c2)O1 ZINC001422248445 927173704 /nfs/dbraw/zinc/17/37/04/927173704.db2.gz PSHLBVZJCVJUQB-KGLIPLIRSA-N 2 2 294.399 0.841 20 0 CCADLP C[C@@H]1CC[C@@H](C[N@@H+](C)CCN(C)C(=O)Cn2cc[nH+]c2)O1 ZINC001422248445 927173716 /nfs/dbraw/zinc/17/37/16/927173716.db2.gz PSHLBVZJCVJUQB-KGLIPLIRSA-N 2 2 294.399 0.841 20 0 CCADLP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1nccn1C ZINC001422443337 927282714 /nfs/dbraw/zinc/28/27/14/927282714.db2.gz XRBJVPRWXUXJNJ-RYUDHWBXSA-N 2 2 290.371 0.300 20 0 CCADLP COC[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001422515047 927340595 /nfs/dbraw/zinc/34/05/95/927340595.db2.gz GOUBKPZPBFDZPM-RYUDHWBXSA-N 2 2 282.388 0.814 20 0 CCADLP COC[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001422515047 927340610 /nfs/dbraw/zinc/34/06/10/927340610.db2.gz GOUBKPZPBFDZPM-RYUDHWBXSA-N 2 2 282.388 0.814 20 0 CCADLP COC[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001422515047 927340623 /nfs/dbraw/zinc/34/06/23/927340623.db2.gz GOUBKPZPBFDZPM-RYUDHWBXSA-N 2 2 282.388 0.814 20 0 CCADLP COC[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001422515047 927340637 /nfs/dbraw/zinc/34/06/37/927340637.db2.gz GOUBKPZPBFDZPM-RYUDHWBXSA-N 2 2 282.388 0.814 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001422531960 927348297 /nfs/dbraw/zinc/34/82/97/927348297.db2.gz PSLCSNYZLPRQPW-VXGBXAGGSA-N 2 2 282.388 0.482 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC1[C@H]2C[N@H+](C/C=C/Cl)C[C@@H]12 ZINC001422849430 927551050 /nfs/dbraw/zinc/55/10/50/927551050.db2.gz UCXIDXXPLAQYCT-UUBSQDSJSA-N 2 2 294.786 0.999 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC1[C@H]2C[N@@H+](C/C=C/Cl)C[C@@H]12 ZINC001422849430 927551057 /nfs/dbraw/zinc/55/10/57/927551057.db2.gz UCXIDXXPLAQYCT-UUBSQDSJSA-N 2 2 294.786 0.999 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N(C)C[C@H](C)[NH2+]CCO)c[nH+]1 ZINC001423068523 927659488 /nfs/dbraw/zinc/65/94/88/927659488.db2.gz ASDCPIHTGPNFDF-NSHDSACASA-N 2 2 282.388 0.355 20 0 CCADLP CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001423446708 927866677 /nfs/dbraw/zinc/86/66/77/927866677.db2.gz PDIJKNMMVZSHNJ-ZIAGYGMSSA-N 2 2 296.415 0.899 20 0 CCADLP CC(C)(CO)[NH+]1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001362446618 928032965 /nfs/dbraw/zinc/03/29/65/928032965.db2.gz GFZUITWURWXBNH-UHFFFAOYSA-N 2 2 280.372 0.257 20 0 CCADLP CC1(C)C[N@H+](CCCO)C[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001425295971 928499176 /nfs/dbraw/zinc/49/91/76/928499176.db2.gz YBSYONWONKJSHO-ZDUSSCGKSA-N 2 2 294.399 0.551 20 0 CCADLP CC1(C)C[N@@H+](CCCO)C[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001425295971 928499181 /nfs/dbraw/zinc/49/91/81/928499181.db2.gz YBSYONWONKJSHO-ZDUSSCGKSA-N 2 2 294.399 0.551 20 0 CCADLP CC1(C)C[N@H+](CCCO)C[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001425295971 928499186 /nfs/dbraw/zinc/49/91/86/928499186.db2.gz YBSYONWONKJSHO-ZDUSSCGKSA-N 2 2 294.399 0.551 20 0 CCADLP CC1(C)C[N@@H+](CCCO)C[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001425295971 928499191 /nfs/dbraw/zinc/49/91/91/928499191.db2.gz YBSYONWONKJSHO-ZDUSSCGKSA-N 2 2 294.399 0.551 20 0 CCADLP COC[C@H](C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001425344018 928519619 /nfs/dbraw/zinc/51/96/19/928519619.db2.gz DQKIQALSBSJYIC-XDQVBPFNSA-N 2 2 292.383 0.212 20 0 CCADLP COC[C@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001425344018 928519627 /nfs/dbraw/zinc/51/96/27/928519627.db2.gz DQKIQALSBSJYIC-XDQVBPFNSA-N 2 2 292.383 0.212 20 0 CCADLP CC1CC(C[NH2+][C@H](CO)CNC(=O)CCn2cc[nH+]c2)C1 ZINC001425777054 928667117 /nfs/dbraw/zinc/66/71/17/928667117.db2.gz QKJCKEOMOMMRPF-RUXDESIVSA-N 2 2 294.399 0.386 20 0 CCADLP O=C(C[NH+]1CCC(CO)CC1)Nc1ccc2c[nH+]cn2c1 ZINC001362999300 928744262 /nfs/dbraw/zinc/74/42/62/928744262.db2.gz CKNNKDFTLXOGGT-UHFFFAOYSA-N 2 2 288.351 0.977 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)CN(C)C(=O)CCCn1cc[nH+]c1 ZINC001426090289 928756110 /nfs/dbraw/zinc/75/61/10/928756110.db2.gz PEDRCFSZEIRAIK-AWEZNQCLSA-N 2 2 296.415 0.823 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)CN(C)C(=O)CCCn1cc[nH+]c1 ZINC001426090289 928756119 /nfs/dbraw/zinc/75/61/19/928756119.db2.gz PEDRCFSZEIRAIK-AWEZNQCLSA-N 2 2 296.415 0.823 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCN1CCc2[nH+]ccc(N)c2C1 ZINC001363288262 929081368 /nfs/dbraw/zinc/08/13/68/929081368.db2.gz AAWCJVLYINVBFF-GFCCVEGCSA-N 2 2 276.384 0.743 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCN1CCc2[nH+]ccc(N)c2C1 ZINC001363288262 929081381 /nfs/dbraw/zinc/08/13/81/929081381.db2.gz AAWCJVLYINVBFF-GFCCVEGCSA-N 2 2 276.384 0.743 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1[NH+]1CCC(O)CC1 ZINC001363690343 929488036 /nfs/dbraw/zinc/48/80/36/929488036.db2.gz QXKFLBZBCGFUHD-QLFBSQMISA-N 2 2 295.427 0.575 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1[NH+]1CCC(O)CC1 ZINC001363690343 929488044 /nfs/dbraw/zinc/48/80/44/929488044.db2.gz QXKFLBZBCGFUHD-QLFBSQMISA-N 2 2 295.427 0.575 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1[NH+]1CCC(O)CC1 ZINC001363690378 929488677 /nfs/dbraw/zinc/48/86/77/929488677.db2.gz QXKFLBZBCGFUHD-SOUVJXGZSA-N 2 2 295.427 0.575 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1[NH+]1CCC(O)CC1 ZINC001363690378 929488680 /nfs/dbraw/zinc/48/86/80/929488680.db2.gz QXKFLBZBCGFUHD-SOUVJXGZSA-N 2 2 295.427 0.575 20 0 CCADLP C[C@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]C[C@H]1CCOC1 ZINC001371865229 929648721 /nfs/dbraw/zinc/64/87/21/929648721.db2.gz ZCNGEJOGNZDRSP-VXGBXAGGSA-N 2 2 280.372 0.473 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC001443583115 929654436 /nfs/dbraw/zinc/65/44/36/929654436.db2.gz MSYGUSQSEFQFNO-CHWSQXEVSA-N 2 2 271.405 0.411 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC001443583115 929654449 /nfs/dbraw/zinc/65/44/49/929654449.db2.gz MSYGUSQSEFQFNO-CHWSQXEVSA-N 2 2 271.405 0.411 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001443741520 929691428 /nfs/dbraw/zinc/69/14/28/929691428.db2.gz VSHJHZOKVNZXEB-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001443741520 929691437 /nfs/dbraw/zinc/69/14/37/929691437.db2.gz VSHJHZOKVNZXEB-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1conc1C ZINC001444012289 929765520 /nfs/dbraw/zinc/76/55/20/929765520.db2.gz OANIXSLMYVDMJJ-GFCCVEGCSA-N 2 2 291.355 0.933 20 0 CCADLP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1nc(C)no1 ZINC001444043425 929772901 /nfs/dbraw/zinc/77/29/01/929772901.db2.gz RXJIVHPIFVZDQY-LBPRGKRZSA-N 2 2 297.403 0.703 20 0 CCADLP CC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[NH2+]Cc1nc(C)no1 ZINC001444043425 929772911 /nfs/dbraw/zinc/77/29/11/929772911.db2.gz RXJIVHPIFVZDQY-LBPRGKRZSA-N 2 2 297.403 0.703 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]Cc1ccccn1 ZINC001444386444 929859350 /nfs/dbraw/zinc/85/93/50/929859350.db2.gz HWIYJJGMSXKYLF-GFCCVEGCSA-N 2 2 287.367 0.889 20 0 CCADLP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ncccn1 ZINC001372544312 929878327 /nfs/dbraw/zinc/87/83/27/929878327.db2.gz WABPAKNOTGTEHO-CYBMUJFWSA-N 2 2 291.399 0.509 20 0 CCADLP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1Cc1ncccn1 ZINC001372544312 929878331 /nfs/dbraw/zinc/87/83/31/929878331.db2.gz WABPAKNOTGTEHO-CYBMUJFWSA-N 2 2 291.399 0.509 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1nnc(C)o1 ZINC001444696258 929936056 /nfs/dbraw/zinc/93/60/56/929936056.db2.gz GQATVVQBRWTLEY-NSHDSACASA-N 2 2 297.403 0.656 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1nnc(C)o1 ZINC001444696258 929936065 /nfs/dbraw/zinc/93/60/65/929936065.db2.gz GQATVVQBRWTLEY-NSHDSACASA-N 2 2 297.403 0.656 20 0 CCADLP C[N@H+](CCO)C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001373310022 930136947 /nfs/dbraw/zinc/13/69/47/930136947.db2.gz HBISMTNAKHPWDQ-AWEZNQCLSA-N 2 2 294.399 0.436 20 0 CCADLP C[N@@H+](CCO)C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001373310022 930136949 /nfs/dbraw/zinc/13/69/49/930136949.db2.gz HBISMTNAKHPWDQ-AWEZNQCLSA-N 2 2 294.399 0.436 20 0 CCADLP C[C@H](C[NH2+]Cc1cnsn1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001445471151 930142361 /nfs/dbraw/zinc/14/23/61/930142361.db2.gz BSESTDQDLMZPRM-MNOVXSKESA-N 2 2 297.428 0.474 20 0 CCADLP C[C@H](C[NH2+]Cc1cnsn1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001445471151 930142362 /nfs/dbraw/zinc/14/23/62/930142362.db2.gz BSESTDQDLMZPRM-MNOVXSKESA-N 2 2 297.428 0.474 20 0 CCADLP CCO[C@H](C[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1)C1CC1 ZINC001373415170 930180475 /nfs/dbraw/zinc/18/04/75/930180475.db2.gz CNWZGXNGKAKTGV-HUUCEWRRSA-N 2 2 295.427 0.696 20 0 CCADLP CCO[C@H](C[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1)C1CC1 ZINC001373415170 930180479 /nfs/dbraw/zinc/18/04/79/930180479.db2.gz CNWZGXNGKAKTGV-HUUCEWRRSA-N 2 2 295.427 0.696 20 0 CCADLP Cc1noc(C[NH2+]C[C@H](C)NC(=O)CCC[NH+](C)C)n1 ZINC001445610192 930183446 /nfs/dbraw/zinc/18/34/46/930183446.db2.gz VPXPQVYJDSWNSX-JTQLQIEISA-N 2 2 283.376 0.314 20 0 CCADLP C[NH+](C)CCCC(=O)NC1C[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC001373449204 930197330 /nfs/dbraw/zinc/19/73/30/930197330.db2.gz AOAULZTWSZDAPC-CQSZACIVSA-N 2 2 297.443 0.944 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC1C[NH+](C[C@@H]2CCCCO2)C1 ZINC001373539509 930236823 /nfs/dbraw/zinc/23/68/23/930236823.db2.gz XXKLCBGZPRVKCW-AWEZNQCLSA-N 2 2 292.383 0.569 20 0 CCADLP COCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001445762658 930243770 /nfs/dbraw/zinc/24/37/70/930243770.db2.gz LCAZODYNFHWLKC-QWHCGFSZSA-N 2 2 294.399 0.528 20 0 CCADLP COCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001445762658 930243782 /nfs/dbraw/zinc/24/37/82/930243782.db2.gz LCAZODYNFHWLKC-QWHCGFSZSA-N 2 2 294.399 0.528 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@H+]1C[C@@H](C)O ZINC001446110890 930335787 /nfs/dbraw/zinc/33/57/87/930335787.db2.gz VWBHHWPZWPSJBK-OLZOCXBDSA-N 2 2 294.399 0.578 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@@H+]1C[C@@H](C)O ZINC001446110890 930335797 /nfs/dbraw/zinc/33/57/97/930335797.db2.gz VWBHHWPZWPSJBK-OLZOCXBDSA-N 2 2 294.399 0.578 20 0 CCADLP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1Cc1cnn(C)c1 ZINC001446122597 930340992 /nfs/dbraw/zinc/34/09/92/930340992.db2.gz FYEXELDKOBHBCN-AWEZNQCLSA-N 2 2 293.415 0.452 20 0 CCADLP CC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1Cc1cnn(C)c1 ZINC001446122597 930341000 /nfs/dbraw/zinc/34/10/00/930341000.db2.gz FYEXELDKOBHBCN-AWEZNQCLSA-N 2 2 293.415 0.452 20 0 CCADLP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1Cc1cnn(C)c1 ZINC001446122597 930341006 /nfs/dbraw/zinc/34/10/06/930341006.db2.gz FYEXELDKOBHBCN-AWEZNQCLSA-N 2 2 293.415 0.452 20 0 CCADLP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1Cc1cnn(C)c1 ZINC001446122597 930341016 /nfs/dbraw/zinc/34/10/16/930341016.db2.gz FYEXELDKOBHBCN-AWEZNQCLSA-N 2 2 293.415 0.452 20 0 CCADLP CO[C@@H](C)C[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001374104497 930423622 /nfs/dbraw/zinc/42/36/22/930423622.db2.gz SKINGZXCOZQCKI-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001446755381 930477470 /nfs/dbraw/zinc/47/74/70/930477470.db2.gz GORIQMRYWPMYIP-WFASDCNBSA-N 2 2 292.383 0.018 20 0 CCADLP CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001446755381 930477480 /nfs/dbraw/zinc/47/74/80/930477480.db2.gz GORIQMRYWPMYIP-WFASDCNBSA-N 2 2 292.383 0.018 20 0 CCADLP CC[C@H](C[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1)OC ZINC001374327012 930487998 /nfs/dbraw/zinc/48/79/98/930487998.db2.gz BFNHILLJYDDONB-QWHCGFSZSA-N 2 2 282.388 0.745 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCC[N@@H+](C)C[C@H](C)O ZINC001447354476 930614412 /nfs/dbraw/zinc/61/44/12/930614412.db2.gz MQKYVYCBPZRCFD-OLZOCXBDSA-N 2 2 296.415 0.749 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCC[N@H+](C)C[C@H](C)O ZINC001447354476 930614417 /nfs/dbraw/zinc/61/44/17/930614417.db2.gz MQKYVYCBPZRCFD-OLZOCXBDSA-N 2 2 296.415 0.749 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCC[N@@H+](C)C[C@H](C)O ZINC001447354476 930614422 /nfs/dbraw/zinc/61/44/22/930614422.db2.gz MQKYVYCBPZRCFD-OLZOCXBDSA-N 2 2 296.415 0.749 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCC[N@H+](C)C[C@H](C)O ZINC001447354476 930614426 /nfs/dbraw/zinc/61/44/26/930614426.db2.gz MQKYVYCBPZRCFD-OLZOCXBDSA-N 2 2 296.415 0.749 20 0 CCADLP Cc1ccnc(C[NH2+]C[C@H](C)NC(=O)C[NH+]2CCCC2)n1 ZINC001374976945 930741849 /nfs/dbraw/zinc/74/18/49/930741849.db2.gz NHCATZKAPORBHT-ZDUSSCGKSA-N 2 2 291.399 0.475 20 0 CCADLP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]CCn1cccn1 ZINC001447918480 930754653 /nfs/dbraw/zinc/75/46/53/930754653.db2.gz YUSHOHVDTHCFAH-RYUDHWBXSA-N 2 2 290.371 0.332 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001448500476 930904306 /nfs/dbraw/zinc/90/43/06/930904306.db2.gz IPIGTDHZHRIPQY-YRGRVCCFSA-N 2 2 294.399 0.862 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001448500476 930904312 /nfs/dbraw/zinc/90/43/12/930904312.db2.gz IPIGTDHZHRIPQY-YRGRVCCFSA-N 2 2 294.399 0.862 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1c[nH+]cn1C ZINC001448602549 930922812 /nfs/dbraw/zinc/92/28/12/930922812.db2.gz JKSZYLSMCNHSQJ-FZMZJTMJSA-N 2 2 294.399 0.170 20 0 CCADLP COC[C@H](C)[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001448601891 930923219 /nfs/dbraw/zinc/92/32/19/930923219.db2.gz JGANQCXWPDASPG-JSGCOSHPSA-N 2 2 294.399 0.745 20 0 CCADLP CC[N@@H+]1CC[C@@](O)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001376074287 931042239 /nfs/dbraw/zinc/04/22/39/931042239.db2.gz BERPYMMQPOITRN-TZMCWYRMSA-N 2 2 280.372 0.407 20 0 CCADLP CC[N@H+]1CC[C@@](O)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001376074287 931042245 /nfs/dbraw/zinc/04/22/45/931042245.db2.gz BERPYMMQPOITRN-TZMCWYRMSA-N 2 2 280.372 0.407 20 0 CCADLP C[C@@H](O)CCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001376130965 931062550 /nfs/dbraw/zinc/06/25/50/931062550.db2.gz SEOJBMHXMVAEAJ-TZMCWYRMSA-N 2 2 294.399 0.694 20 0 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CC(C)[N@H+](C)CC(=O)NCC[NH+](C)CCC[NH+](C)C ZINC000617767213 365772621 /nfs/dbraw/zinc/77/26/21/365772621.db2.gz KVRPEJIAVNEJOY-UHFFFAOYSA-N 3 2 272.437 0.326 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NCC[NH+](C)CCC[NH+](C)C ZINC000617767213 365772626 /nfs/dbraw/zinc/77/26/26/365772626.db2.gz KVRPEJIAVNEJOY-UHFFFAOYSA-N 3 2 272.437 0.326 20 0 CCADLP CC(C)[NH+](C)CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767213 365772630 /nfs/dbraw/zinc/77/26/30/365772630.db2.gz KVRPEJIAVNEJOY-UHFFFAOYSA-N 3 2 272.437 0.326 20 0 CCADLP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767213 365772637 /nfs/dbraw/zinc/77/26/37/365772637.db2.gz KVRPEJIAVNEJOY-UHFFFAOYSA-N 3 2 272.437 0.326 20 0 CCADLP Cn1nccc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767363 365773582 /nfs/dbraw/zinc/77/35/82/365773582.db2.gz QZPRJORBAHHWQV-UHFFFAOYSA-N 2 2 267.377 0.033 20 0 CCADLP Cn1nccc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767363 365773585 /nfs/dbraw/zinc/77/35/85/365773585.db2.gz QZPRJORBAHHWQV-UHFFFAOYSA-N 2 2 267.377 0.033 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnc[nH]1 ZINC000617766171 365771423 /nfs/dbraw/zinc/77/14/23/365771423.db2.gz AKMZMXRWMAJEHD-UHFFFAOYSA-N 2 2 253.350 0.023 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnc[nH]1 ZINC000617766171 365771426 /nfs/dbraw/zinc/77/14/26/365771426.db2.gz AKMZMXRWMAJEHD-UHFFFAOYSA-N 2 2 253.350 0.023 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000423748369 529783474 /nfs/dbraw/zinc/78/34/74/529783474.db2.gz QSPFIPBELWWWMH-KBPBESRZSA-N 2 2 295.358 0.315 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000423748369 529783475 /nfs/dbraw/zinc/78/34/75/529783475.db2.gz QSPFIPBELWWWMH-KBPBESRZSA-N 2 2 295.358 0.315 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCN2CCCOCC2)n1C ZINC000425390421 529809168 /nfs/dbraw/zinc/80/91/68/529809168.db2.gz YGZYKEUHGXSETC-UHFFFAOYSA-N 2 2 281.404 0.298 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H]2CCN(C)C(=O)C2)n1C ZINC000424191332 529810224 /nfs/dbraw/zinc/81/02/24/529810224.db2.gz QSISBOHXZLYNNS-LLVKDONJSA-N 2 2 279.388 0.444 20 0 CCADLP C[C@@H](C(=O)N(C)C)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000116399890 349870052 /nfs/dbraw/zinc/87/00/52/349870052.db2.gz CBMDAVRBYXWUQO-GJZGRUSLSA-N 2 2 296.459 0.565 20 0 CCADLP C[C@@H](C(=O)N(C)C)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000116399890 349870053 /nfs/dbraw/zinc/87/00/53/349870053.db2.gz CBMDAVRBYXWUQO-GJZGRUSLSA-N 2 2 296.459 0.565 20 0 CCADLP COC(=O)CCC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000116402583 349870101 /nfs/dbraw/zinc/87/01/01/349870101.db2.gz BMFKJFHMQJHVQF-UHFFFAOYSA-N 2 2 272.389 0.718 20 0 CCADLP COC(=O)CCC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000116402583 349870102 /nfs/dbraw/zinc/87/01/02/349870102.db2.gz BMFKJFHMQJHVQF-UHFFFAOYSA-N 2 2 272.389 0.718 20 0 CCADLP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425358416 529905812 /nfs/dbraw/zinc/90/58/12/529905812.db2.gz QTDBDZUJUYLPCG-VXGBXAGGSA-N 2 2 279.388 0.490 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000418402338 529995273 /nfs/dbraw/zinc/99/52/73/529995273.db2.gz ZCLLBYLJOUVNGD-STQMWFEESA-N 2 2 286.420 0.204 20 0 CCADLP C[N@@H+]1CCN(C(=O)/C=C\c2cccc(F)c2)[C@H](C[NH3+])C1 ZINC000493049970 530066113 /nfs/dbraw/zinc/06/61/13/530066113.db2.gz NWCYHBAUEHLWJE-GEXIGZQTSA-N 2 2 277.343 0.940 20 0 CCADLP C[N@H+]1CCN(C(=O)/C=C\c2cccc(F)c2)[C@H](C[NH3+])C1 ZINC000493049970 530066114 /nfs/dbraw/zinc/06/61/14/530066114.db2.gz NWCYHBAUEHLWJE-GEXIGZQTSA-N 2 2 277.343 0.940 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](c3ccco3)C2)CC1 ZINC000367567825 530068148 /nfs/dbraw/zinc/06/81/48/530068148.db2.gz ZKPLIGDHYUFWPP-ZDUSSCGKSA-N 2 2 277.368 0.843 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](c3ccco3)C2)CC1 ZINC000367567825 530068149 /nfs/dbraw/zinc/06/81/49/530068149.db2.gz ZKPLIGDHYUFWPP-ZDUSSCGKSA-N 2 2 277.368 0.843 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)CC1 ZINC000451367195 530068321 /nfs/dbraw/zinc/06/83/21/530068321.db2.gz JRWIKEZTGRFOII-AESZEHBQSA-N 2 2 289.423 0.904 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)CC1 ZINC000451367195 530068322 /nfs/dbraw/zinc/06/83/22/530068322.db2.gz JRWIKEZTGRFOII-AESZEHBQSA-N 2 2 289.423 0.904 20 0 CCADLP CCn1nc(C)c(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1C ZINC000358154707 232053174 /nfs/dbraw/zinc/05/31/74/232053174.db2.gz DXHKVAHWFJFAKR-CQSZACIVSA-N 2 2 266.389 0.676 20 0 CCADLP CCn1nc(C)c(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1C ZINC000358154707 232053177 /nfs/dbraw/zinc/05/31/77/232053177.db2.gz DXHKVAHWFJFAKR-CQSZACIVSA-N 2 2 266.389 0.676 20 0 CCADLP CN(C)S(=O)(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000367499493 232362593 /nfs/dbraw/zinc/36/25/93/232362593.db2.gz CYUGGOOHPPMXBW-CYBMUJFWSA-N 2 2 289.445 0.296 20 0 CCADLP CN(C)S(=O)(=O)CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000367499493 232362596 /nfs/dbraw/zinc/36/25/96/232362596.db2.gz CYUGGOOHPPMXBW-CYBMUJFWSA-N 2 2 289.445 0.296 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@]2(C)CCC[NH2+]C2)CC1 ZINC000119927466 349961824 /nfs/dbraw/zinc/96/18/24/349961824.db2.gz HKCRAEUYJQLQNF-OAHLLOKOSA-N 2 2 283.416 0.557 20 0 CCADLP C[C@H]1CN(C(=O)c2c[nH+]ccc2N)C[C@@H]1[NH+]1CCOCC1 ZINC000188269351 290790963 /nfs/dbraw/zinc/79/09/63/290790963.db2.gz SJEUWSFURHFYFV-FZMZJTMJSA-N 2 2 290.367 0.457 20 0 CCADLP Cc1c[nH+]ccc1N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC000192671670 302386402 /nfs/dbraw/zinc/38/64/02/302386402.db2.gz IKAOCFNDDWRMIJ-ZDUSSCGKSA-N 2 2 265.357 0.519 20 0 CCADLP COc1c(C[N@@H+]2CC[C@](C)(C[NH3+])C2)c(C)nn1C ZINC000261570574 137009109 /nfs/dbraw/zinc/00/91/09/137009109.db2.gz KNTNSNMETSKSBF-CYBMUJFWSA-N 2 2 252.362 0.908 20 0 CCADLP COc1c(C[N@H+]2CC[C@](C)(C[NH3+])C2)c(C)nn1C ZINC000261570574 137009110 /nfs/dbraw/zinc/00/91/10/137009110.db2.gz KNTNSNMETSKSBF-CYBMUJFWSA-N 2 2 252.362 0.908 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000261571510 137009331 /nfs/dbraw/zinc/00/93/31/137009331.db2.gz LDGKVXINXDALDM-RUZUBIRVSA-N 2 2 254.374 0.911 20 0 CCADLP COc1c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(C)nn1C ZINC000261581463 137010036 /nfs/dbraw/zinc/01/00/36/137010036.db2.gz GBQKCTMSBVRHCT-YPMHNXCESA-N 2 2 264.373 0.921 20 0 CCADLP COc1c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(C)nn1C ZINC000261581463 137010037 /nfs/dbraw/zinc/01/00/37/137010037.db2.gz GBQKCTMSBVRHCT-YPMHNXCESA-N 2 2 264.373 0.921 20 0 CCADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261586901 137010426 /nfs/dbraw/zinc/01/04/26/137010426.db2.gz URWVJIREINEFNQ-RWMBFGLXSA-N 2 2 253.390 0.688 20 0 CCADLP CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261586901 137010427 /nfs/dbraw/zinc/01/04/27/137010427.db2.gz URWVJIREINEFNQ-RWMBFGLXSA-N 2 2 253.390 0.688 20 0 CCADLP CC(C)[C@H](C)NC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261586902 137010534 /nfs/dbraw/zinc/01/05/34/137010534.db2.gz URWVJIREINEFNQ-XQQFMLRXSA-N 2 2 253.390 0.688 20 0 CCADLP CC(C)[C@H](C)NC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261586902 137010535 /nfs/dbraw/zinc/01/05/35/137010535.db2.gz URWVJIREINEFNQ-XQQFMLRXSA-N 2 2 253.390 0.688 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NC1CCCCC1 ZINC000261591545 137010995 /nfs/dbraw/zinc/01/09/95/137010995.db2.gz MAWWBAJCHPLLJK-OLZOCXBDSA-N 2 2 265.401 0.977 20 0 CCADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NC1CCCCC1 ZINC000261591545 137010996 /nfs/dbraw/zinc/01/09/96/137010996.db2.gz MAWWBAJCHPLLJK-OLZOCXBDSA-N 2 2 265.401 0.977 20 0 CCADLP C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261588481 137011056 /nfs/dbraw/zinc/01/10/56/137011056.db2.gz KFSMSUODEJKJGE-RGOKHQFPSA-N 2 2 279.306 0.723 20 0 CCADLP C[C@H](C(=O)NCC(F)(F)F)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261588481 137011057 /nfs/dbraw/zinc/01/10/57/137011057.db2.gz KFSMSUODEJKJGE-RGOKHQFPSA-N 2 2 279.306 0.723 20 0 CCADLP O=c1n2ccccc2nn1CC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261607383 137011901 /nfs/dbraw/zinc/01/19/01/137011901.db2.gz DFSVKRGQPUSRKQ-OAHLLOKOSA-N 2 2 287.367 0.181 20 0 CCADLP O=c1n2ccccc2nn1CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261607383 137011902 /nfs/dbraw/zinc/01/19/02/137011902.db2.gz DFSVKRGQPUSRKQ-OAHLLOKOSA-N 2 2 287.367 0.181 20 0 CCADLP COc1ccccc1CNC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261666783 137014934 /nfs/dbraw/zinc/01/49/34/137014934.db2.gz LBUHMDYBAJMRMC-INIZCTEOSA-N 2 2 291.395 0.982 20 0 CCADLP COc1ccccc1CNC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261666783 137014935 /nfs/dbraw/zinc/01/49/35/137014935.db2.gz LBUHMDYBAJMRMC-INIZCTEOSA-N 2 2 291.395 0.982 20 0 CCADLP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263184100 137059474 /nfs/dbraw/zinc/05/94/74/137059474.db2.gz HBOUQQRISAGCED-VHSXEESVSA-N 2 2 263.332 0.830 20 0 CCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263184100 137059475 /nfs/dbraw/zinc/05/94/75/137059475.db2.gz HBOUQQRISAGCED-VHSXEESVSA-N 2 2 263.332 0.830 20 0 CCADLP C[C@@H](NC(=O)C[NH2+]CC1CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000262668801 137049803 /nfs/dbraw/zinc/04/98/03/137049803.db2.gz LYWPBCCHFUKNDI-VXGBXAGGSA-N 2 2 269.389 0.211 20 0 CCADLP CC[N@@H+]1CCc2nc(NC(=O)[C@@H]([NH3+])COC)sc2C1 ZINC000263108297 137058414 /nfs/dbraw/zinc/05/84/14/137058414.db2.gz DGVYQXBHKZUPES-QMMMGPOBSA-N 2 2 284.385 0.433 20 0 CCADLP CC[N@H+]1CCc2nc(NC(=O)[C@@H]([NH3+])COC)sc2C1 ZINC000263108297 137058415 /nfs/dbraw/zinc/05/84/15/137058415.db2.gz DGVYQXBHKZUPES-QMMMGPOBSA-N 2 2 284.385 0.433 20 0 CCADLP CC[N@@H+]1CCO[C@@H](c2nc(C3([NH3+])CCC3)no2)C1 ZINC000261690071 137015572 /nfs/dbraw/zinc/01/55/72/137015572.db2.gz HLDGVJYMGZSYCC-SECBINFHSA-N 2 2 252.318 0.801 20 0 CCADLP CC[N@H+]1CCO[C@@H](c2nc(C3([NH3+])CCC3)no2)C1 ZINC000261690071 137015573 /nfs/dbraw/zinc/01/55/73/137015573.db2.gz HLDGVJYMGZSYCC-SECBINFHSA-N 2 2 252.318 0.801 20 0 CCADLP c1ccc(C[N@@H+]2CCO[C@@H](CNC3=[NH+]CCCN3)C2)cc1 ZINC000261697359 137016123 /nfs/dbraw/zinc/01/61/23/137016123.db2.gz BXTWUDVTDLUJQG-HNNXBMFYSA-N 2 2 288.395 0.826 20 0 CCADLP c1ccc(C[N@H+]2CCO[C@@H](CNC3=[NH+]CCCN3)C2)cc1 ZINC000261697359 137016124 /nfs/dbraw/zinc/01/61/24/137016124.db2.gz BXTWUDVTDLUJQG-HNNXBMFYSA-N 2 2 288.395 0.826 20 0 CCADLP CNC(=O)c1ccn([C@@H]2CCC[N@H+](CC(C)(C)[NH3+])C2)n1 ZINC000261706061 137016389 /nfs/dbraw/zinc/01/63/89/137016389.db2.gz IMNNJSUCIXSJDW-LLVKDONJSA-N 2 2 279.388 0.617 20 0 CCADLP CNC(=O)c1ccn([C@@H]2CCC[N@@H+](CC(C)(C)[NH3+])C2)n1 ZINC000261706061 137016390 /nfs/dbraw/zinc/01/63/90/137016390.db2.gz IMNNJSUCIXSJDW-LLVKDONJSA-N 2 2 279.388 0.617 20 0 CCADLP c1cncc([C@H]2C[NH2+]CCN2CC[NH+]2CCOCC2)c1 ZINC000261734274 137017892 /nfs/dbraw/zinc/01/78/92/137017892.db2.gz MCPVSYGJKNUAHN-OAHLLOKOSA-N 2 2 276.384 0.360 20 0 CCADLP c1c(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)nc2ncccn12 ZINC000261795607 137020734 /nfs/dbraw/zinc/02/07/34/137020734.db2.gz YGYZWRQMZNNMGW-CQSZACIVSA-N 2 2 286.383 0.209 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CC12CC[NH2+]CC2)[NH+]1CCN(C)CC1 ZINC000261980880 137027641 /nfs/dbraw/zinc/02/76/41/137027641.db2.gz WFUAHFJDUBPIGP-KBPBESRZSA-N 2 2 294.443 0.128 20 0 CCADLP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)NC(C)(C)C)C2)C1 ZINC000336125647 290187339 /nfs/dbraw/zinc/18/73/39/290187339.db2.gz MDIQVKIHTFSHHV-CQSZACIVSA-N 2 2 253.390 0.929 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)NC(C)(C)C)C2)C1 ZINC000336125647 290187344 /nfs/dbraw/zinc/18/73/44/290187344.db2.gz MDIQVKIHTFSHHV-CQSZACIVSA-N 2 2 253.390 0.929 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)NC(C)(C)C)C2)C1 ZINC000336125647 290187348 /nfs/dbraw/zinc/18/73/48/290187348.db2.gz MDIQVKIHTFSHHV-CQSZACIVSA-N 2 2 253.390 0.929 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000262328008 137038517 /nfs/dbraw/zinc/03/85/17/137038517.db2.gz GIAZNSXKNNNAQU-GFCCVEGCSA-N 2 2 278.356 0.142 20 0 CCADLP COC(=O)[C@@H](C1CC1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000310776647 137072659 /nfs/dbraw/zinc/07/26/59/137072659.db2.gz ARVKFMFLNDDIBS-TZMCWYRMSA-N 2 2 252.358 0.966 20 0 CCADLP COC(=O)[C@@H](C1CC1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000310776647 137072660 /nfs/dbraw/zinc/07/26/60/137072660.db2.gz ARVKFMFLNDDIBS-TZMCWYRMSA-N 2 2 252.358 0.966 20 0 CCADLP COC(=O)[C@@H](C1CC1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000310776647 137072661 /nfs/dbraw/zinc/07/26/61/137072661.db2.gz ARVKFMFLNDDIBS-TZMCWYRMSA-N 2 2 252.358 0.966 20 0 CCADLP COC(=O)[C@@H](C1CC1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000310776647 137072662 /nfs/dbraw/zinc/07/26/62/137072662.db2.gz ARVKFMFLNDDIBS-TZMCWYRMSA-N 2 2 252.358 0.966 20 0 CCADLP CC[C@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)CCCO1 ZINC000310951751 137073463 /nfs/dbraw/zinc/07/34/63/137073463.db2.gz NZAQRUKQYUSSHR-KGLIPLIRSA-N 2 2 256.390 0.942 20 0 CCADLP CC[C@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)CCCO1 ZINC000310951751 137073464 /nfs/dbraw/zinc/07/34/64/137073464.db2.gz NZAQRUKQYUSSHR-KGLIPLIRSA-N 2 2 256.390 0.942 20 0 CCADLP CC[C@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)CCCO1 ZINC000310951751 137073465 /nfs/dbraw/zinc/07/34/65/137073465.db2.gz NZAQRUKQYUSSHR-KGLIPLIRSA-N 2 2 256.390 0.942 20 0 CCADLP CC[C@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CCCO1 ZINC000310951751 137073466 /nfs/dbraw/zinc/07/34/66/137073466.db2.gz NZAQRUKQYUSSHR-KGLIPLIRSA-N 2 2 256.390 0.942 20 0 CCADLP O[C@@H](CN1CC[C@H]([NH+]2CCCCC2)C1)C[NH+]1CCOCC1 ZINC000313376866 137078126 /nfs/dbraw/zinc/07/81/26/137078126.db2.gz YXBJDQKENLISFY-JKSUJKDBSA-N 2 2 297.443 0.240 20 0 CCADLP COCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CC(=O)N(C)C)C1 ZINC000328332001 137080109 /nfs/dbraw/zinc/08/01/09/137080109.db2.gz HYDVEBYMFOLCHI-VXGBXAGGSA-N 2 2 257.378 0.164 20 0 CCADLP COCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CC(=O)N(C)C)C1 ZINC000328332001 137080110 /nfs/dbraw/zinc/08/01/10/137080110.db2.gz HYDVEBYMFOLCHI-VXGBXAGGSA-N 2 2 257.378 0.164 20 0 CCADLP C[C@H](C(=O)NCC1=CC[N@H+](C)CC1)[NH+]1CCOCC1 ZINC000343252724 137123008 /nfs/dbraw/zinc/12/30/08/137123008.db2.gz RFXRZUQFUWGMMU-GFCCVEGCSA-N 2 2 267.373 0.085 20 0 CCADLP C[C@H](C(=O)NCC1=CC[N@@H+](C)CC1)[NH+]1CCOCC1 ZINC000343252724 137123009 /nfs/dbraw/zinc/12/30/09/137123009.db2.gz RFXRZUQFUWGMMU-GFCCVEGCSA-N 2 2 267.373 0.085 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000343172732 137118760 /nfs/dbraw/zinc/11/87/60/137118760.db2.gz VQWAPJVHWHXDJR-LLVKDONJSA-N 2 2 282.413 0.816 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000343172732 137118761 /nfs/dbraw/zinc/11/87/61/137118761.db2.gz VQWAPJVHWHXDJR-LLVKDONJSA-N 2 2 282.413 0.816 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCC[NH2+][C@H]1C)[NH+]1CCN(C)CC1 ZINC000343476400 137137489 /nfs/dbraw/zinc/13/74/89/137137489.db2.gz MVBLDFHSNGCYAX-IHRRRGAJSA-N 2 2 282.432 0.127 20 0 CCADLP C[C@H]1[C@H](Nc2cc(-n3cccn3)nc(N)[nH+]2)CCC[N@@H+]1C ZINC000343473466 137137659 /nfs/dbraw/zinc/13/76/59/137137659.db2.gz KSKYLRYKEUWCRJ-WDEREUQCSA-N 2 2 287.371 0.969 20 0 CCADLP C[C@H]1[C@H](Nc2cc(-n3cccn3)nc(N)[nH+]2)CCC[N@H+]1C ZINC000343473466 137137660 /nfs/dbraw/zinc/13/76/60/137137660.db2.gz KSKYLRYKEUWCRJ-WDEREUQCSA-N 2 2 287.371 0.969 20 0 CCADLP COC(=O)[C@@](C)(O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000343755176 137154371 /nfs/dbraw/zinc/15/43/71/137154371.db2.gz KRTCUJJCRQZJKU-OCCSQVGLSA-N 2 2 280.324 0.459 20 0 CCADLP COC(=O)[C@@](C)(O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000343755176 137154372 /nfs/dbraw/zinc/15/43/72/137154372.db2.gz KRTCUJJCRQZJKU-OCCSQVGLSA-N 2 2 280.324 0.459 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000343345260 137129662 /nfs/dbraw/zinc/12/96/62/137129662.db2.gz QODVQTQXHQVVFP-ZDUSSCGKSA-N 2 2 269.389 0.308 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000343345260 137129663 /nfs/dbraw/zinc/12/96/63/137129663.db2.gz QODVQTQXHQVVFP-ZDUSSCGKSA-N 2 2 269.389 0.308 20 0 CCADLP CCC[NH+](C)CC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000343345260 137129664 /nfs/dbraw/zinc/12/96/64/137129664.db2.gz QODVQTQXHQVVFP-ZDUSSCGKSA-N 2 2 269.389 0.308 20 0 CCADLP CCC[NH+](C)CC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000343345260 137129665 /nfs/dbraw/zinc/12/96/65/137129665.db2.gz QODVQTQXHQVVFP-ZDUSSCGKSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000343344374 137129883 /nfs/dbraw/zinc/12/98/83/137129883.db2.gz CZAIDABIEFUBNR-GUTXKFCHSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000343344374 137129884 /nfs/dbraw/zinc/12/98/84/137129884.db2.gz CZAIDABIEFUBNR-GUTXKFCHSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000343344374 137129885 /nfs/dbraw/zinc/12/98/85/137129885.db2.gz CZAIDABIEFUBNR-GUTXKFCHSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000343344374 137129886 /nfs/dbraw/zinc/12/98/86/137129886.db2.gz CZAIDABIEFUBNR-GUTXKFCHSA-N 2 2 295.427 0.839 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000343354690 137130659 /nfs/dbraw/zinc/13/06/59/137130659.db2.gz VLAHHIMQCHOGGI-GJZGRUSLSA-N 2 2 295.427 0.840 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000343354690 137130660 /nfs/dbraw/zinc/13/06/60/137130660.db2.gz VLAHHIMQCHOGGI-GJZGRUSLSA-N 2 2 295.427 0.840 20 0 CCADLP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000343354690 137130661 /nfs/dbraw/zinc/13/06/61/137130661.db2.gz VLAHHIMQCHOGGI-GJZGRUSLSA-N 2 2 295.427 0.840 20 0 CCADLP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000343354690 137130662 /nfs/dbraw/zinc/13/06/62/137130662.db2.gz VLAHHIMQCHOGGI-GJZGRUSLSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCN1CCCCC1=O ZINC000344270749 137186830 /nfs/dbraw/zinc/18/68/30/137186830.db2.gz FKNCBSRXGCJYLX-CHWSQXEVSA-N 2 2 253.390 0.929 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCN1CCCCC1=O ZINC000344270749 137186831 /nfs/dbraw/zinc/18/68/31/137186831.db2.gz FKNCBSRXGCJYLX-CHWSQXEVSA-N 2 2 253.390 0.929 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000344260419 137186112 /nfs/dbraw/zinc/18/61/12/137186112.db2.gz LCYWUPYWAOXOKQ-KGLIPLIRSA-N 3 2 282.432 0.080 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000344260419 137186113 /nfs/dbraw/zinc/18/61/13/137186113.db2.gz LCYWUPYWAOXOKQ-KGLIPLIRSA-N 3 2 282.432 0.080 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C1([NH3+])CCCC1 ZINC000037616321 348193843 /nfs/dbraw/zinc/19/38/43/348193843.db2.gz JHYIPLWACKWUEY-NSHDSACASA-N 2 2 255.362 0.095 20 0 CCADLP O=C(C[NH2+]C1CC1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000037800374 348205404 /nfs/dbraw/zinc/20/54/04/348205404.db2.gz URSMJNKCSQRSOO-UHFFFAOYSA-N 2 2 274.368 0.478 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000037802771 348206114 /nfs/dbraw/zinc/20/61/14/348206114.db2.gz XGTJJEYKRIQFBW-CQSZACIVSA-N 2 2 276.384 0.709 20 0 CCADLP CC(C)OC(=O)CC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602876143 362858024 /nfs/dbraw/zinc/85/80/24/362858024.db2.gz FELIUSWBKQIVRB-AWEZNQCLSA-N 2 2 272.389 0.717 20 0 CCADLP CC(C)OC(=O)CC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602876143 362858027 /nfs/dbraw/zinc/85/80/27/362858027.db2.gz FELIUSWBKQIVRB-AWEZNQCLSA-N 2 2 272.389 0.717 20 0 CCADLP CO[C@@H]1C[C@H](CN(C)CC[N@@H+]2CCOC[C@H]2C)[NH+](C)C1 ZINC000345146724 137236432 /nfs/dbraw/zinc/23/64/32/137236432.db2.gz KBQWFJUFTIULOU-RBSFLKMASA-N 2 2 285.432 0.358 20 0 CCADLP CO[C@@H]1C[C@H](CN(C)CC[N@H+]2CCOC[C@H]2C)[NH+](C)C1 ZINC000345146724 137236433 /nfs/dbraw/zinc/23/64/33/137236433.db2.gz KBQWFJUFTIULOU-RBSFLKMASA-N 2 2 285.432 0.358 20 0 CCADLP CO[C@@H]1C[C@H](CN(C)CC[NH+]2CCOC[C@H]2C)[N@H+](C)C1 ZINC000345146724 137236434 /nfs/dbraw/zinc/23/64/34/137236434.db2.gz KBQWFJUFTIULOU-RBSFLKMASA-N 2 2 285.432 0.358 20 0 CCADLP CO[C@@H]1C[C@H](CN(C)CC[NH+]2CCOC[C@H]2C)[N@@H+](C)C1 ZINC000345146724 137236435 /nfs/dbraw/zinc/23/64/35/137236435.db2.gz KBQWFJUFTIULOU-RBSFLKMASA-N 2 2 285.432 0.358 20 0 CCADLP CC[N@@H+]1C[C@H](C)N(C(=O)[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000345909137 137259286 /nfs/dbraw/zinc/25/92/86/137259286.db2.gz PQXKQYWANBBBKJ-FRRDWIJNSA-N 2 2 269.389 0.258 20 0 CCADLP CC[N@H+]1C[C@H](C)N(C(=O)[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000345909137 137259287 /nfs/dbraw/zinc/25/92/87/137259287.db2.gz PQXKQYWANBBBKJ-FRRDWIJNSA-N 2 2 269.389 0.258 20 0 CCADLP CC[NH+]1C[C@H](C)N(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000345909137 137259288 /nfs/dbraw/zinc/25/92/88/137259288.db2.gz PQXKQYWANBBBKJ-FRRDWIJNSA-N 2 2 269.389 0.258 20 0 CCADLP CC[NH+]1C[C@H](C)N(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000345909137 137259289 /nfs/dbraw/zinc/25/92/89/137259289.db2.gz PQXKQYWANBBBKJ-FRRDWIJNSA-N 2 2 269.389 0.258 20 0 CCADLP C[C@H]1[C@@H](NC(=O)N(C)CC[NH+]2CCOCC2)CCC[N@@H+]1C ZINC000345770361 137252034 /nfs/dbraw/zinc/25/20/34/137252034.db2.gz DXWNWJWBNRHAFN-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H]1[C@@H](NC(=O)N(C)CC[NH+]2CCOCC2)CCC[N@H+]1C ZINC000345770361 137252035 /nfs/dbraw/zinc/25/20/35/137252035.db2.gz DXWNWJWBNRHAFN-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H](C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)[NH+]1CCOCC1 ZINC000346333202 137279715 /nfs/dbraw/zinc/27/97/15/137279715.db2.gz WWAUCXVKEHUXNY-HIFRSBDPSA-N 2 2 281.400 0.261 20 0 CCADLP C[C@H](C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1)[NH+]1CCOCC1 ZINC000346333202 137279716 /nfs/dbraw/zinc/27/97/16/137279716.db2.gz WWAUCXVKEHUXNY-HIFRSBDPSA-N 2 2 281.400 0.261 20 0 CCADLP COCC[NH+](CCOC)Cc1nc(C(C)(C)[NH3+])no1 ZINC000043402140 348308376 /nfs/dbraw/zinc/30/83/76/348308376.db2.gz NDLPNJXYQNPOKZ-UHFFFAOYSA-N 2 2 272.349 0.358 20 0 CCADLP c1c[nH]c(CN2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)n1 ZINC000346986976 137314375 /nfs/dbraw/zinc/31/43/75/137314375.db2.gz QHRRTMSLQUHGEZ-ZDUSSCGKSA-N 2 2 263.389 0.527 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CCO1 ZINC000045753332 348341663 /nfs/dbraw/zinc/34/16/63/348341663.db2.gz ADFQCUIHWJBFGN-OAHLLOKOSA-N 2 2 295.427 0.840 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CCO1 ZINC000045753332 348341667 /nfs/dbraw/zinc/34/16/67/348341667.db2.gz ADFQCUIHWJBFGN-OAHLLOKOSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(C)(C)[NH3+])CC1 ZINC000346852737 137308738 /nfs/dbraw/zinc/30/87/38/137308738.db2.gz XHDOSSHUMRAYQS-LBPRGKRZSA-N 3 2 257.422 0.748 20 0 CCADLP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(C)(C)[NH3+])CC1 ZINC000346852737 137308739 /nfs/dbraw/zinc/30/87/39/137308739.db2.gz XHDOSSHUMRAYQS-LBPRGKRZSA-N 3 2 257.422 0.748 20 0 CCADLP C[C@@H](CC(=O)NCC[NH+]1CCSCC1)n1cc[nH+]c1 ZINC000573808065 334967895 /nfs/dbraw/zinc/96/78/95/334967895.db2.gz JFIWVPNSTXADTF-LBPRGKRZSA-N 2 2 282.413 0.999 20 0 CCADLP COC1CC([NH2+]CCCCN2CC[NH+](CCO)CC2)C1 ZINC000347393790 137334012 /nfs/dbraw/zinc/33/40/12/137334012.db2.gz WEMWTVXGGUROBH-UHFFFAOYSA-N 2 2 285.432 0.144 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cc(O)cc(F)c2)C1 ZINC000349616729 137397321 /nfs/dbraw/zinc/39/73/21/137397321.db2.gz WPYLVNXRGSODKN-CYBMUJFWSA-N 2 2 254.305 0.688 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cc(O)cc(F)c2)C1 ZINC000349616729 137397322 /nfs/dbraw/zinc/39/73/22/137397322.db2.gz WPYLVNXRGSODKN-CYBMUJFWSA-N 2 2 254.305 0.688 20 0 CCADLP COC(=O)[C@]1([NH2+]CCCCn2cc[nH+]c2C)CCOC1 ZINC000348130410 137374115 /nfs/dbraw/zinc/37/41/15/137374115.db2.gz WAQTVESRVLCWNC-AWEZNQCLSA-N 2 2 281.356 0.893 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000348930139 137380915 /nfs/dbraw/zinc/38/09/15/137380915.db2.gz YAKDSOTXNCWAFS-BETUJISGSA-N 2 2 283.416 0.696 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000348930139 137380916 /nfs/dbraw/zinc/38/09/16/137380916.db2.gz YAKDSOTXNCWAFS-BETUJISGSA-N 2 2 283.416 0.696 20 0 CCADLP NC(=O)c1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000051187969 348486900 /nfs/dbraw/zinc/48/69/00/348486900.db2.gz COGRASFODXMSIP-CQSZACIVSA-N 2 2 277.368 0.332 20 0 CCADLP COc1cccc(C[NH+]2CCN(C(=O)C[NH+](C)C)CC2)c1 ZINC000051761151 348493913 /nfs/dbraw/zinc/49/39/13/348493913.db2.gz UVBVIAUDHRIFPU-UHFFFAOYSA-N 2 2 291.395 0.901 20 0 CCADLP CC(C)(CNC(=O)C[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000061744404 348658407 /nfs/dbraw/zinc/65/84/07/348658407.db2.gz YJUYNUDENKYZRZ-UHFFFAOYSA-N 2 2 283.416 0.699 20 0 CCADLP CC[N@@H+]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC000684467113 545676621 /nfs/dbraw/zinc/67/66/21/545676621.db2.gz YUTHYIQTZBOYCQ-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP CC[N@H+]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC000684467113 545676627 /nfs/dbraw/zinc/67/66/27/545676627.db2.gz YUTHYIQTZBOYCQ-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP CC[N@H+](C)CCNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000067002642 348765526 /nfs/dbraw/zinc/76/55/26/348765526.db2.gz YWMCUXYHPRCYOO-UHFFFAOYSA-N 2 2 279.388 0.899 20 0 CCADLP CC[N@@H+](C)CCNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000067002642 348765533 /nfs/dbraw/zinc/76/55/33/348765533.db2.gz YWMCUXYHPRCYOO-UHFFFAOYSA-N 2 2 279.388 0.899 20 0 CCADLP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000068802055 348822097 /nfs/dbraw/zinc/82/20/97/348822097.db2.gz RALONIXXXBSIIW-TZMCWYRMSA-N 2 2 277.416 0.633 20 0 CCADLP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000068802055 348822101 /nfs/dbraw/zinc/82/21/01/348822101.db2.gz RALONIXXXBSIIW-TZMCWYRMSA-N 2 2 277.416 0.633 20 0 CCADLP CC(C)NC(=O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000070143028 348873163 /nfs/dbraw/zinc/87/31/63/348873163.db2.gz OGRWRLHFRSJSJN-UHFFFAOYSA-N 2 2 253.350 0.100 20 0 CCADLP CC(C)(CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000070577366 348893757 /nfs/dbraw/zinc/89/37/57/348893757.db2.gz VOGFUITYCSIZOJ-CHWSQXEVSA-N 2 2 283.416 0.731 20 0 CCADLP [NH3+]CCC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000070187767 348877508 /nfs/dbraw/zinc/87/75/08/348877508.db2.gz KGYDNJQZQSZDAT-UHFFFAOYSA-N 2 2 250.346 0.861 20 0 CCADLP C[C@@H]([NH3+])CCC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000070317721 348885496 /nfs/dbraw/zinc/88/54/96/348885496.db2.gz UGFIXMRLXQVRCW-GFCCVEGCSA-N 2 2 292.383 0.662 20 0 CCADLP CC[N@H+](C)C[C@@H]1CC[NH+](CCCS(C)(=O)=O)C1 ZINC000072858537 348935694 /nfs/dbraw/zinc/93/56/94/348935694.db2.gz TZQBQLXEGSKITM-LBPRGKRZSA-N 2 2 262.419 0.695 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCS(C)(=O)=O)C1 ZINC000072858537 348935698 /nfs/dbraw/zinc/93/56/98/348935698.db2.gz TZQBQLXEGSKITM-LBPRGKRZSA-N 2 2 262.419 0.695 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@H+](CCCS(C)(=O)=O)C1 ZINC000072858537 348935701 /nfs/dbraw/zinc/93/57/01/348935701.db2.gz TZQBQLXEGSKITM-LBPRGKRZSA-N 2 2 262.419 0.695 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCS(C)(=O)=O)C1 ZINC000072858537 348935705 /nfs/dbraw/zinc/93/57/05/348935705.db2.gz TZQBQLXEGSKITM-LBPRGKRZSA-N 2 2 262.419 0.695 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000070923211 348898966 /nfs/dbraw/zinc/89/89/66/348898966.db2.gz APCMFOOETIXGGO-UHFFFAOYSA-N 2 2 261.369 0.892 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000070923211 348898969 /nfs/dbraw/zinc/89/89/69/348898969.db2.gz APCMFOOETIXGGO-UHFFFAOYSA-N 2 2 261.369 0.892 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000074365489 348987799 /nfs/dbraw/zinc/98/77/99/348987799.db2.gz TWGMCZQQGNXFDF-CQSZACIVSA-N 2 2 292.383 0.596 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@H]1C ZINC000339563980 215244359 /nfs/dbraw/zinc/24/43/59/215244359.db2.gz OCSTWRFFHDSROE-OLZOCXBDSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)[C@H]1C ZINC000339563980 215244363 /nfs/dbraw/zinc/24/43/63/215244363.db2.gz OCSTWRFFHDSROE-OLZOCXBDSA-N 2 2 283.416 0.554 20 0 CCADLP CCOC(=O)[C@]1(C)C[N@H+](CCc2c[nH+]cn2C)CCO1 ZINC000603005835 362934990 /nfs/dbraw/zinc/93/49/90/362934990.db2.gz REAVGDKUDIQCGG-AWEZNQCLSA-N 2 2 281.356 0.617 20 0 CCADLP CCOC(=O)[C@]1(C)C[N@@H+](CCc2c[nH+]cn2C)CCO1 ZINC000603005835 362934994 /nfs/dbraw/zinc/93/49/94/362934994.db2.gz REAVGDKUDIQCGG-AWEZNQCLSA-N 2 2 281.356 0.617 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NCCNc2cccc(C)[nH+]2)C1 ZINC000074085425 348972484 /nfs/dbraw/zinc/97/24/84/348972484.db2.gz AAZRIVOIYODXID-ZDUSSCGKSA-N 2 2 292.383 0.639 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NCCNc2cccc(C)[nH+]2)C1 ZINC000074085425 348972487 /nfs/dbraw/zinc/97/24/87/348972487.db2.gz AAZRIVOIYODXID-ZDUSSCGKSA-N 2 2 292.383 0.639 20 0 CCADLP CC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000075739180 349049792 /nfs/dbraw/zinc/04/97/92/349049792.db2.gz DAFHBEQXPQSZSZ-UONOGXRCSA-N 2 2 256.390 0.802 20 0 CCADLP CC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000075739180 349049794 /nfs/dbraw/zinc/04/97/94/349049794.db2.gz DAFHBEQXPQSZSZ-UONOGXRCSA-N 2 2 256.390 0.802 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2CCOC[C@@H]2C)C[C@H](C)[NH+]1C ZINC000339617442 215269661 /nfs/dbraw/zinc/26/96/61/215269661.db2.gz OEIOKYVFMJGKIN-MJBXVCDLSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2CCOC[C@@H]2C)C[C@H](C)[NH+]1C ZINC000339617442 215269664 /nfs/dbraw/zinc/26/96/64/215269664.db2.gz OEIOKYVFMJGKIN-MJBXVCDLSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1CN(CC[NH+]2CCOC[C@@H]2C)C[C@H](C)[N@@H+]1C ZINC000339617442 215269666 /nfs/dbraw/zinc/26/96/66/215269666.db2.gz OEIOKYVFMJGKIN-MJBXVCDLSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1CN(CC[NH+]2CCOC[C@@H]2C)C[C@H](C)[N@H+]1C ZINC000339617442 215269670 /nfs/dbraw/zinc/26/96/70/215269670.db2.gz OEIOKYVFMJGKIN-MJBXVCDLSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000082256011 349292665 /nfs/dbraw/zinc/29/26/65/349292665.db2.gz GKHGDADMSNFYOQ-RYUDHWBXSA-N 2 2 262.357 0.634 20 0 CCADLP CCOC[C@H]1CC[N@@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000081519242 349271785 /nfs/dbraw/zinc/27/17/85/349271785.db2.gz GXOHLUGJGHMGGG-CABCVRRESA-N 2 2 297.443 0.897 20 0 CCADLP CCOC[C@H]1CC[N@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000081519242 349271787 /nfs/dbraw/zinc/27/17/87/349271787.db2.gz GXOHLUGJGHMGGG-CABCVRRESA-N 2 2 297.443 0.897 20 0 CCADLP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000087410016 349350041 /nfs/dbraw/zinc/35/00/41/349350041.db2.gz KXALRBUFDJCDEN-WCQYABFASA-N 2 2 265.405 0.625 20 0 CCADLP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000087410016 349350043 /nfs/dbraw/zinc/35/00/43/349350043.db2.gz KXALRBUFDJCDEN-WCQYABFASA-N 2 2 265.405 0.625 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000084695598 349324257 /nfs/dbraw/zinc/32/42/57/349324257.db2.gz QPIURGLLLAIZHH-LBPRGKRZSA-N 2 2 280.372 0.742 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000084695598 349324261 /nfs/dbraw/zinc/32/42/61/349324261.db2.gz QPIURGLLLAIZHH-LBPRGKRZSA-N 2 2 280.372 0.742 20 0 CCADLP CCS(=O)(=O)NCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123785731 350083184 /nfs/dbraw/zinc/08/31/84/350083184.db2.gz FKCWCXWSDGMELA-NEPJUHHUSA-N 2 2 277.434 0.340 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123785731 350083185 /nfs/dbraw/zinc/08/31/85/350083185.db2.gz FKCWCXWSDGMELA-NEPJUHHUSA-N 2 2 277.434 0.340 20 0 CCADLP CCS(=O)(=O)NCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123785731 350083186 /nfs/dbraw/zinc/08/31/86/350083186.db2.gz FKCWCXWSDGMELA-NEPJUHHUSA-N 2 2 277.434 0.340 20 0 CCADLP CCS(=O)(=O)NCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123785731 350083187 /nfs/dbraw/zinc/08/31/87/350083187.db2.gz FKCWCXWSDGMELA-NEPJUHHUSA-N 2 2 277.434 0.340 20 0 CCADLP C[N@@H+]1CCN(C(=O)c2ccc3c(c2)CCO3)[C@@H](C[NH3+])C1 ZINC000124304404 350093790 /nfs/dbraw/zinc/09/37/90/350093790.db2.gz TXTBQUKASQIBTE-ZDUSSCGKSA-N 2 2 275.352 0.336 20 0 CCADLP C[N@H+]1CCN(C(=O)c2ccc3c(c2)CCO3)[C@@H](C[NH3+])C1 ZINC000124304404 350093792 /nfs/dbraw/zinc/09/37/92/350093792.db2.gz TXTBQUKASQIBTE-ZDUSSCGKSA-N 2 2 275.352 0.336 20 0 CCADLP CC[C@H](C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1)[NH+](C)C ZINC000126554860 350149002 /nfs/dbraw/zinc/14/90/02/350149002.db2.gz KUMFVTRCABHYEQ-HUUCEWRRSA-N 2 2 298.475 0.715 20 0 CCADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NC(=O)NC1CCCCC1 ZINC000129064475 350204564 /nfs/dbraw/zinc/20/45/64/350204564.db2.gz ADKWVIKBLVOSSV-NWDGAFQWSA-N 2 2 296.415 0.957 20 0 CCADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NC(=O)NC1CCCCC1 ZINC000129064475 350204565 /nfs/dbraw/zinc/20/45/65/350204565.db2.gz ADKWVIKBLVOSSV-NWDGAFQWSA-N 2 2 296.415 0.957 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@](C)([NH3+])c2ccccc2)C1 ZINC000091669740 180223977 /nfs/dbraw/zinc/22/39/77/180223977.db2.gz UDORJJNAVKIOSN-ZFWWWQNUSA-N 2 2 277.368 0.307 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@@](C)([NH3+])c2ccccc2)C1 ZINC000091669740 180223979 /nfs/dbraw/zinc/22/39/79/180223979.db2.gz UDORJJNAVKIOSN-ZFWWWQNUSA-N 2 2 277.368 0.307 20 0 CCADLP C[C@H](C(=O)NCCCn1cc[nH+]c1)[NH+]1CCSCC1 ZINC000130559065 350240743 /nfs/dbraw/zinc/24/07/43/350240743.db2.gz BMCDABXARYQDEF-GFCCVEGCSA-N 2 2 282.413 0.827 20 0 CCADLP O=C1CCC(=O)N1CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131708898 350283974 /nfs/dbraw/zinc/28/39/74/350283974.db2.gz MURWZVNOEBKMLN-CYBMUJFWSA-N 2 2 289.335 0.684 20 0 CCADLP O=C1CCC(=O)N1CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131708898 350283977 /nfs/dbraw/zinc/28/39/77/350283977.db2.gz MURWZVNOEBKMLN-CYBMUJFWSA-N 2 2 289.335 0.684 20 0 CCADLP COC(=O)CC1([NH2+]CCn2cc[nH+]c2)CCOCC1 ZINC000132069088 350296009 /nfs/dbraw/zinc/29/60/09/350296009.db2.gz DKPNYIITPDOCEY-UHFFFAOYSA-N 2 2 267.329 0.585 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000092134237 180332105 /nfs/dbraw/zinc/33/21/05/180332105.db2.gz OOAFKZMUCQVRBS-ZDUSSCGKSA-N 2 2 276.384 0.581 20 0 CCADLP C[C@H](C[NH2+]C1CCN(C(=O)N(C)C)CC1)[NH+](C)C ZINC000135124766 350385920 /nfs/dbraw/zinc/38/59/20/350385920.db2.gz APDJGFFXXPHQHY-LLVKDONJSA-N 2 2 256.394 0.672 20 0 CCADLP CC1CC[NH+](CC(=O)NCC[NH+]2CCOCC2)CC1 ZINC000136071296 350414481 /nfs/dbraw/zinc/41/44/81/350414481.db2.gz CJEWJDHKBMSXTR-UHFFFAOYSA-N 2 2 269.389 0.167 20 0 CCADLP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000152559376 350532759 /nfs/dbraw/zinc/53/27/59/350532759.db2.gz HVTJXAORSIUYFN-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000152559376 350532763 /nfs/dbraw/zinc/53/27/63/350532763.db2.gz HVTJXAORSIUYFN-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP O=C1c2ccccc2C(=O)N1CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107578996 186180850 /nfs/dbraw/zinc/18/08/50/186180850.db2.gz HGHKTSHUXRBHNW-TXEJJXNPSA-N 2 2 285.347 0.434 20 0 CCADLP O=C1c2ccccc2C(=O)N1CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107578996 186180852 /nfs/dbraw/zinc/18/08/52/186180852.db2.gz HGHKTSHUXRBHNW-TXEJJXNPSA-N 2 2 285.347 0.434 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000162195951 350738559 /nfs/dbraw/zinc/73/85/59/350738559.db2.gz CSOWIACYXPKUEG-GFCCVEGCSA-N 2 2 263.345 0.291 20 0 CCADLP c1cn(C[C@H]2CCC[N@@H+](CCn3cc[nH+]c3)C2)nn1 ZINC000163401832 350765465 /nfs/dbraw/zinc/76/54/65/350765465.db2.gz JJFWPVISQAPLSC-ZDUSSCGKSA-N 2 2 260.345 0.887 20 0 CCADLP c1cn(C[C@H]2CCC[N@H+](CCn3cc[nH+]c3)C2)nn1 ZINC000163401832 350765469 /nfs/dbraw/zinc/76/54/69/350765469.db2.gz JJFWPVISQAPLSC-ZDUSSCGKSA-N 2 2 260.345 0.887 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000164802103 350783215 /nfs/dbraw/zinc/78/32/15/350783215.db2.gz YCTKBDDHRWULNE-LLVKDONJSA-N 2 2 273.340 0.739 20 0 CCADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@]2(F)CC[NH2+]C2)no1 ZINC000165749083 350792531 /nfs/dbraw/zinc/79/25/31/350792531.db2.gz ODUIZPSKKNPASG-ZDUSSCGKSA-N 2 2 299.350 0.184 20 0 CCADLP C[C@H]([C@H](C)NC(=O)c1ccc(C[NH3+])cc1)[NH+]1CCOCC1 ZINC000167690403 350813865 /nfs/dbraw/zinc/81/38/65/350813865.db2.gz ZWFXNKPYJCBWHM-QWHCGFSZSA-N 2 2 291.395 0.984 20 0 CCADLP C[NH2+]CC(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000169184087 350836070 /nfs/dbraw/zinc/83/60/70/350836070.db2.gz NONRIIHHAXIUSP-UHFFFAOYSA-N 2 2 277.368 0.985 20 0 CCADLP C[NH+](C)[C@@H]1CCN(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000170861546 350868416 /nfs/dbraw/zinc/86/84/16/350868416.db2.gz LRKACCWDAXWANQ-GFCCVEGCSA-N 2 2 265.361 0.619 20 0 CCADLP CC(C)(C)C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000172697048 351005868 /nfs/dbraw/zinc/00/58/68/351005868.db2.gz URRVDDLUOOTDGG-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000174750550 351102251 /nfs/dbraw/zinc/10/22/51/351102251.db2.gz JFZYMQDNWKZYBI-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000174750550 351102253 /nfs/dbraw/zinc/10/22/53/351102253.db2.gz JFZYMQDNWKZYBI-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP CC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000174750550 351102256 /nfs/dbraw/zinc/10/22/56/351102256.db2.gz JFZYMQDNWKZYBI-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP CC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000174750550 351102258 /nfs/dbraw/zinc/10/22/58/351102258.db2.gz JFZYMQDNWKZYBI-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000174390268 351083293 /nfs/dbraw/zinc/08/32/93/351083293.db2.gz DZJWZYDOVSUKSD-ZDUSSCGKSA-N 2 2 290.367 0.061 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000174390268 351083297 /nfs/dbraw/zinc/08/32/97/351083297.db2.gz DZJWZYDOVSUKSD-ZDUSSCGKSA-N 2 2 290.367 0.061 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000174411975 351084358 /nfs/dbraw/zinc/08/43/58/351084358.db2.gz QZTDXMSBHDKQKB-JSGCOSHPSA-N 2 2 295.383 0.719 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000174411975 351084361 /nfs/dbraw/zinc/08/43/61/351084361.db2.gz QZTDXMSBHDKQKB-JSGCOSHPSA-N 2 2 295.383 0.719 20 0 CCADLP Cc1cc(N2CC[C@@H]([NH2+]Cc3c[nH+]cn3C)C2=O)n(C)n1 ZINC000174620816 351095283 /nfs/dbraw/zinc/09/52/83/351095283.db2.gz VWMKKNSIJGQJLY-GFCCVEGCSA-N 2 2 288.355 0.357 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000175980718 351152186 /nfs/dbraw/zinc/15/21/86/351152186.db2.gz ZVGAQODAUNSXKH-CQSZACIVSA-N 2 2 283.416 0.557 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000175980718 351152192 /nfs/dbraw/zinc/15/21/92/351152192.db2.gz ZVGAQODAUNSXKH-CQSZACIVSA-N 2 2 283.416 0.557 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000178763078 351244637 /nfs/dbraw/zinc/24/46/37/351244637.db2.gz FXDDBYAYZUDNBA-RYUDHWBXSA-N 2 2 269.389 0.341 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000178763078 351244640 /nfs/dbraw/zinc/24/46/40/351244640.db2.gz FXDDBYAYZUDNBA-RYUDHWBXSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(C)(C)C ZINC000181027904 351299422 /nfs/dbraw/zinc/29/94/22/351299422.db2.gz LSQIZAWQLUKPKV-KGLIPLIRSA-N 2 2 297.443 0.944 20 0 CCADLP CCS(=O)(=O)NCCC[N@H+](C)CCCn1cc[nH+]c1 ZINC000181103515 351303403 /nfs/dbraw/zinc/30/34/03/351303403.db2.gz KNDRYUUBIDBQOH-UHFFFAOYSA-N 2 2 288.417 0.534 20 0 CCADLP CCS(=O)(=O)NCCC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181103515 351303405 /nfs/dbraw/zinc/30/34/05/351303405.db2.gz KNDRYUUBIDBQOH-UHFFFAOYSA-N 2 2 288.417 0.534 20 0 CCADLP c1nc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c[nH]1 ZINC000180116273 351280184 /nfs/dbraw/zinc/28/01/84/351280184.db2.gz HOGROELDIUJIDH-UHFFFAOYSA-N 2 2 264.373 0.954 20 0 CCADLP c1ncc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)[nH]1 ZINC000180116273 351280189 /nfs/dbraw/zinc/28/01/89/351280189.db2.gz HOGROELDIUJIDH-UHFFFAOYSA-N 2 2 264.373 0.954 20 0 CCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1C[NH2+]CCO1 ZINC000188054076 351569875 /nfs/dbraw/zinc/56/98/75/351569875.db2.gz YDUCIINERGNXNV-CYBMUJFWSA-N 2 2 290.367 0.286 20 0 CCADLP CCN(CC)c1ccc(CNC(=O)[C@H]2C[NH2+]CCO2)c[nH+]1 ZINC000188063655 351570476 /nfs/dbraw/zinc/57/04/76/351570476.db2.gz IDYUUIVURRQXLZ-CYBMUJFWSA-N 2 2 292.383 0.532 20 0 CCADLP CSC[C@H](O)C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000188885672 351636423 /nfs/dbraw/zinc/63/64/23/351636423.db2.gz QMNCOVATBAASPA-GFCCVEGCSA-N 2 2 282.413 0.631 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188778836 351627503 /nfs/dbraw/zinc/62/75/03/351627503.db2.gz NSXUSIMITPFXGS-WDEREUQCSA-N 2 2 268.336 0.855 20 0 CCADLP CCOCC[NH+]1CCN(CC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000191483903 351759712 /nfs/dbraw/zinc/75/97/12/351759712.db2.gz INGYHMCFUSAHEI-OAHLLOKOSA-N 2 2 285.432 0.361 20 0 CCADLP CCOCC[NH+]1CCN(CC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000191483903 351759715 /nfs/dbraw/zinc/75/97/15/351759715.db2.gz INGYHMCFUSAHEI-OAHLLOKOSA-N 2 2 285.432 0.361 20 0 CCADLP C[C@@H]([NH3+])CCC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000193296140 351821446 /nfs/dbraw/zinc/82/14/46/351821446.db2.gz ORHMSCAMZQJKMK-GFCCVEGCSA-N 2 2 292.383 0.662 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC2CCCC2)C1 ZINC000221297680 351978295 /nfs/dbraw/zinc/97/82/95/351978295.db2.gz RRSFKNMPQSTJJI-RYUDHWBXSA-N 2 2 253.390 0.975 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC2CCCC2)C1 ZINC000221297680 351978296 /nfs/dbraw/zinc/97/82/96/351978296.db2.gz RRSFKNMPQSTJJI-RYUDHWBXSA-N 2 2 253.390 0.975 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000227371418 352048026 /nfs/dbraw/zinc/04/80/26/352048026.db2.gz SJRFHGVWUAMOLR-ZJUUUORDSA-N 2 2 263.345 0.740 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000227371418 352048032 /nfs/dbraw/zinc/04/80/32/352048032.db2.gz SJRFHGVWUAMOLR-ZJUUUORDSA-N 2 2 263.345 0.740 20 0 CCADLP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000228094614 352068557 /nfs/dbraw/zinc/06/85/57/352068557.db2.gz KNWLNZUULVMHIG-HUUCEWRRSA-N 2 2 290.411 0.357 20 0 CCADLP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000228094614 352068561 /nfs/dbraw/zinc/06/85/61/352068561.db2.gz KNWLNZUULVMHIG-HUUCEWRRSA-N 2 2 290.411 0.357 20 0 CCADLP CC(C)n1cc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)cn1 ZINC000226244557 352020665 /nfs/dbraw/zinc/02/06/65/352020665.db2.gz KLDXLEDKOZOLQQ-AWEZNQCLSA-N 2 2 265.405 0.799 20 0 CCADLP CC(C)n1cc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cn1 ZINC000226244557 352020668 /nfs/dbraw/zinc/02/06/68/352020668.db2.gz KLDXLEDKOZOLQQ-AWEZNQCLSA-N 2 2 265.405 0.799 20 0 CCADLP COc1ccc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])cc1O ZINC000226609181 352029816 /nfs/dbraw/zinc/02/98/16/352029816.db2.gz OMJZNDBMGDNFEZ-LBPRGKRZSA-N 2 2 265.357 0.476 20 0 CCADLP COc1ccc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1O ZINC000226609181 352029818 /nfs/dbraw/zinc/02/98/18/352029818.db2.gz OMJZNDBMGDNFEZ-LBPRGKRZSA-N 2 2 265.357 0.476 20 0 CCADLP Cc1ccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cn1 ZINC000228858148 352085719 /nfs/dbraw/zinc/08/57/19/352085719.db2.gz PDZJCUHZHXLYCP-UHFFFAOYSA-N 2 2 262.357 0.254 20 0 CCADLP Cc1ccc(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cn1 ZINC000228858148 352085724 /nfs/dbraw/zinc/08/57/24/352085724.db2.gz PDZJCUHZHXLYCP-UHFFFAOYSA-N 2 2 262.357 0.254 20 0 CCADLP COC(=O)c1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000234578750 352161919 /nfs/dbraw/zinc/16/19/19/352161919.db2.gz CFGKNRDXLMDRBD-PHIMTYICSA-N 2 2 261.325 0.519 20 0 CCADLP COC(=O)c1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000234578750 352161921 /nfs/dbraw/zinc/16/19/21/352161921.db2.gz CFGKNRDXLMDRBD-PHIMTYICSA-N 2 2 261.325 0.519 20 0 CCADLP COCC1(C(=O)NCCn2cc[nH+]c2)CC[NH2+]CC1 ZINC000234657555 352164516 /nfs/dbraw/zinc/16/45/16/352164516.db2.gz JTXCWMVRBOXZSJ-UHFFFAOYSA-N 2 2 266.345 0.016 20 0 CCADLP C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@@H](C[NH3+])C1 ZINC000235323106 352181655 /nfs/dbraw/zinc/18/16/55/352181655.db2.gz YOSPKDRPMUANAT-VXGBXAGGSA-N 2 2 250.346 0.859 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000417044318 233913333 /nfs/dbraw/zinc/91/33/33/233913333.db2.gz YIWCEDLRSSSPIZ-JHJVBQTASA-N 2 2 284.404 0.099 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000236771266 352212025 /nfs/dbraw/zinc/21/20/25/352212025.db2.gz LYDBVDZIDAGFQO-ZDUSSCGKSA-N 2 2 273.340 0.867 20 0 CCADLP O=C(NC[C@H]1CCCC[NH2+]1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655415600 412562682 /nfs/dbraw/zinc/56/26/82/412562682.db2.gz XPILRAAOBPZIQG-VXGBXAGGSA-N 2 2 262.357 0.704 20 0 CCADLP [NH3+]C[C@H]1CCCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655413884 412562795 /nfs/dbraw/zinc/56/27/95/412562795.db2.gz LJYXHDHJXZTXLZ-VXGBXAGGSA-N 2 2 262.357 0.785 20 0 CCADLP COC(=O)c1cnc(C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)cn1 ZINC000603434958 363132439 /nfs/dbraw/zinc/13/24/39/363132439.db2.gz VMEOXKWVUOUISK-WDEREUQCSA-N 2 2 264.329 0.479 20 0 CCADLP [NH3+]CCC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000237866018 352286363 /nfs/dbraw/zinc/28/63/63/352286363.db2.gz CXUJGWLXZALXIT-UHFFFAOYSA-N 2 2 258.325 0.896 20 0 CCADLP CC(C)C[C@H](C[NH3+])NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655416197 412563724 /nfs/dbraw/zinc/56/37/24/412563724.db2.gz ZLZPOYDNLPBZKA-VXGBXAGGSA-N 2 2 264.373 0.935 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248149449 352432396 /nfs/dbraw/zinc/43/23/96/352432396.db2.gz QOPSCLQNHCNUSZ-STQMWFEESA-N 2 2 289.445 0.342 20 0 CCADLP CCS(=O)(=O)NCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248149449 352432398 /nfs/dbraw/zinc/43/23/98/352432398.db2.gz QOPSCLQNHCNUSZ-STQMWFEESA-N 2 2 289.445 0.342 20 0 CCADLP CCS(=O)(=O)NCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248149449 352432402 /nfs/dbraw/zinc/43/24/02/352432402.db2.gz QOPSCLQNHCNUSZ-STQMWFEESA-N 2 2 289.445 0.342 20 0 CCADLP CCS(=O)(=O)NCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248149449 352432403 /nfs/dbraw/zinc/43/24/03/352432403.db2.gz QOPSCLQNHCNUSZ-STQMWFEESA-N 2 2 289.445 0.342 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000251042796 352509012 /nfs/dbraw/zinc/50/90/12/352509012.db2.gz PEXUYLGVSMEANB-OUAUKWLOSA-N 2 2 268.361 0.034 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000251042796 352509018 /nfs/dbraw/zinc/50/90/18/352509018.db2.gz PEXUYLGVSMEANB-OUAUKWLOSA-N 2 2 268.361 0.034 20 0 CCADLP Cc1cc(N2CCN(C)C[C@H]2C[NH3+])nc(C(C)C)[nH+]1 ZINC000250962756 352509198 /nfs/dbraw/zinc/50/91/98/352509198.db2.gz LJHFMWKQHJAWJO-GFCCVEGCSA-N 2 2 263.389 0.988 20 0 CCADLP C[NH2+]CCC(=O)NC1(c2noc(C[NH+](C)C)n2)CCCC1 ZINC000262024279 352570034 /nfs/dbraw/zinc/57/00/34/352570034.db2.gz AUUVSMOKLJKWDG-UHFFFAOYSA-N 2 2 295.387 0.626 20 0 CCADLP Nc1ncc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)s1 ZINC000262048392 352573194 /nfs/dbraw/zinc/57/31/94/352573194.db2.gz QATOXISDAIYXAZ-LLVKDONJSA-N 2 2 282.413 0.879 20 0 CCADLP Nc1ncc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)s1 ZINC000262048392 352573197 /nfs/dbraw/zinc/57/31/97/352573197.db2.gz QATOXISDAIYXAZ-LLVKDONJSA-N 2 2 282.413 0.879 20 0 CCADLP CCOCC[N@@H+]1CCN(Cc2noc(C[NH3+])n2)C[C@H]1CC ZINC000262138476 352581697 /nfs/dbraw/zinc/58/16/97/352581697.db2.gz DTRXZUGEFJAWCX-GFCCVEGCSA-N 2 2 297.403 0.461 20 0 CCADLP CCOCC[N@H+]1CCN(Cc2noc(C[NH3+])n2)C[C@H]1CC ZINC000262138476 352581699 /nfs/dbraw/zinc/58/16/99/352581699.db2.gz DTRXZUGEFJAWCX-GFCCVEGCSA-N 2 2 297.403 0.461 20 0 CCADLP C[C@]1(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@H]32)CC[NH2+]C1 ZINC000262144674 352583231 /nfs/dbraw/zinc/58/32/31/352583231.db2.gz ZLNDFKHRKPBPNK-SCRDCRAPSA-N 2 2 251.374 0.729 20 0 CCADLP C[C@]1(C[N@H+]2CC(=O)N[C@H]3CCCC[C@H]32)CC[NH2+]C1 ZINC000262144674 352583233 /nfs/dbraw/zinc/58/32/33/352583233.db2.gz ZLNDFKHRKPBPNK-SCRDCRAPSA-N 2 2 251.374 0.729 20 0 CCADLP Cn1cccc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000265645990 352653292 /nfs/dbraw/zinc/65/32/92/352653292.db2.gz LBRADWJPRLQNKG-ZDUSSCGKSA-N 2 2 264.373 0.455 20 0 CCADLP Cn1cccc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000265645990 352653298 /nfs/dbraw/zinc/65/32/98/352653298.db2.gz LBRADWJPRLQNKG-ZDUSSCGKSA-N 2 2 264.373 0.455 20 0 CCADLP C[C@H]([C@H](C)NC(=O)Cn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000555227326 290967618 /nfs/dbraw/zinc/96/76/18/290967618.db2.gz ZIPWORXVZLURPO-NWDGAFQWSA-N 2 2 266.345 0.109 20 0 CCADLP CCS(=O)(=O)NCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266750029 352718316 /nfs/dbraw/zinc/71/83/16/352718316.db2.gz NTVPKTYHFWURLX-UHFFFAOYSA-N 2 2 286.401 0.528 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)c1ccsc1 ZINC000266798558 352721250 /nfs/dbraw/zinc/72/12/50/352721250.db2.gz GNMXFQOKDCWKJA-CHWSQXEVSA-N 2 2 297.424 0.798 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)c1ccsc1 ZINC000266798558 352721252 /nfs/dbraw/zinc/72/12/52/352721252.db2.gz GNMXFQOKDCWKJA-CHWSQXEVSA-N 2 2 297.424 0.798 20 0 CCADLP O=C1CNC(=O)N1CCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266965586 352736366 /nfs/dbraw/zinc/73/63/66/352736366.db2.gz XYFZHMUKCQVBII-NSHDSACASA-N 2 2 291.355 0.531 20 0 CCADLP O=C1CNC(=O)N1CCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266965586 352736368 /nfs/dbraw/zinc/73/63/68/352736368.db2.gz XYFZHMUKCQVBII-NSHDSACASA-N 2 2 291.355 0.531 20 0 CCADLP O=C1CNC(=O)N1CCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266965583 352736588 /nfs/dbraw/zinc/73/65/88/352736588.db2.gz XYFZHMUKCQVBII-LLVKDONJSA-N 2 2 291.355 0.531 20 0 CCADLP O=C1CNC(=O)N1CCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266965583 352736592 /nfs/dbraw/zinc/73/65/92/352736592.db2.gz XYFZHMUKCQVBII-LLVKDONJSA-N 2 2 291.355 0.531 20 0 CCADLP CN(CC[NH+](C)C)c1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000267037537 352739559 /nfs/dbraw/zinc/73/95/59/352739559.db2.gz MAJRTKYFXJNQCS-CYBMUJFWSA-N 2 2 293.415 0.683 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)CC[NH+](C)C ZINC000267036267 352739674 /nfs/dbraw/zinc/73/96/74/352739674.db2.gz JBAHHXQRLOFCCC-LLVKDONJSA-N 2 2 253.350 0.475 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267458868 352767799 /nfs/dbraw/zinc/76/77/99/352767799.db2.gz UITACRDZTFBRDG-WDEREUQCSA-N 2 2 294.355 0.267 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267458868 352767804 /nfs/dbraw/zinc/76/78/04/352767804.db2.gz UITACRDZTFBRDG-WDEREUQCSA-N 2 2 294.355 0.267 20 0 CCADLP C[C@H](C(=O)N[C@@H](C)Cn1cc[nH+]c1)[NH+]1CCSCC1 ZINC000269714506 352867955 /nfs/dbraw/zinc/86/79/55/352867955.db2.gz VSMFQXMENLCYHF-NWDGAFQWSA-N 2 2 282.413 0.825 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCN(c2nc(N)ns2)CC1 ZINC000270820342 352990964 /nfs/dbraw/zinc/99/09/64/352990964.db2.gz AYWCNOVQRXMDMH-UHFFFAOYSA-N 2 2 293.400 0.447 20 0 CCADLP CNC(=O)N1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000270570184 352950059 /nfs/dbraw/zinc/95/00/59/352950059.db2.gz AQDBIMJHGOIQCY-UHFFFAOYSA-N 2 2 265.361 0.539 20 0 CCADLP Cc1nc(N2CC[NH+](CC3(O)CCOCC3)CC2)cc[nH+]1 ZINC000273600570 353112710 /nfs/dbraw/zinc/11/27/10/353112710.db2.gz LEEUGKQXXUIPFP-UHFFFAOYSA-N 2 2 292.383 0.449 20 0 CCADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)CCn1cc[nH+]c1 ZINC000274472182 353133041 /nfs/dbraw/zinc/13/30/41/353133041.db2.gz MGUCBYUSXLWZOL-CQSZACIVSA-N 2 2 293.415 0.415 20 0 CCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)CCn1cc[nH+]c1 ZINC000274472182 353133042 /nfs/dbraw/zinc/13/30/42/353133042.db2.gz MGUCBYUSXLWZOL-CQSZACIVSA-N 2 2 293.415 0.415 20 0 CCADLP CCOC(=O)c1nn(C)cc1C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000274489521 353134395 /nfs/dbraw/zinc/13/43/95/353134395.db2.gz ORDRFYBXCPFHFZ-NSHDSACASA-N 2 2 291.355 0.972 20 0 CCADLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1nccn1C ZINC000271663620 191266800 /nfs/dbraw/zinc/26/68/00/191266800.db2.gz DWUORMJNLDTAAH-STQMWFEESA-N 2 2 293.415 0.801 20 0 CCADLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1nccn1C ZINC000271663620 191266801 /nfs/dbraw/zinc/26/68/01/191266801.db2.gz DWUORMJNLDTAAH-STQMWFEESA-N 2 2 293.415 0.801 20 0 CCADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000292488305 198307382 /nfs/dbraw/zinc/30/73/82/198307382.db2.gz FHBUGILZIONPEC-CQSZACIVSA-N 2 2 262.357 0.827 20 0 CCADLP C[N@H+]1CC[C@@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC000292488305 198307383 /nfs/dbraw/zinc/30/73/83/198307383.db2.gz FHBUGILZIONPEC-CQSZACIVSA-N 2 2 262.357 0.827 20 0 CCADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156465419 188263201 /nfs/dbraw/zinc/26/32/01/188263201.db2.gz MIGXPKBAJUJYRO-MNOVXSKESA-N 2 2 279.344 0.222 20 0 CCADLP CNC(=O)NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156465419 188263203 /nfs/dbraw/zinc/26/32/03/188263203.db2.gz MIGXPKBAJUJYRO-MNOVXSKESA-N 2 2 279.344 0.222 20 0 CCADLP C[N@H+]1C[C@H]2CN(c3cc(N4CCOCC4)[nH+]cn3)C[C@H]2C1 ZINC000278727416 353302583 /nfs/dbraw/zinc/30/25/83/353302583.db2.gz KRCRPEMVDWSZMD-BETUJISGSA-N 2 2 289.383 0.311 20 0 CCADLP C[N@@H+]1C[C@H]2CN(c3cc(N4CCOCC4)[nH+]cn3)C[C@H]2C1 ZINC000278727416 353302584 /nfs/dbraw/zinc/30/25/84/353302584.db2.gz KRCRPEMVDWSZMD-BETUJISGSA-N 2 2 289.383 0.311 20 0 CCADLP C[N@H+]1C[C@H]2CN(c3cc(N4CCOCC4)nc[nH+]3)C[C@H]2C1 ZINC000278727416 353302587 /nfs/dbraw/zinc/30/25/87/353302587.db2.gz KRCRPEMVDWSZMD-BETUJISGSA-N 2 2 289.383 0.311 20 0 CCADLP C[N@@H+]1C[C@H]2CN(c3cc(N4CCOCC4)nc[nH+]3)C[C@H]2C1 ZINC000278727416 353302590 /nfs/dbraw/zinc/30/25/90/353302590.db2.gz KRCRPEMVDWSZMD-BETUJISGSA-N 2 2 289.383 0.311 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000531663320 358477520 /nfs/dbraw/zinc/47/75/20/358477520.db2.gz FLMFKZNMMPOBEF-RBSFLKMASA-N 2 2 295.427 0.840 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000531663320 358477523 /nfs/dbraw/zinc/47/75/23/358477523.db2.gz FLMFKZNMMPOBEF-RBSFLKMASA-N 2 2 295.427 0.840 20 0 CCADLP Cc1cc([C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)no1 ZINC000282545248 353433990 /nfs/dbraw/zinc/43/39/90/353433990.db2.gz RVCYRSYDQVJGSI-GFCCVEGCSA-N 2 2 280.372 0.798 20 0 CCADLP CC[N@@H+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)[C@@H](C)C1 ZINC000286370019 353581732 /nfs/dbraw/zinc/58/17/32/353581732.db2.gz NRJKVYJGXOVUFR-ZDUSSCGKSA-N 2 2 291.399 0.844 20 0 CCADLP CC[N@H+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)[C@@H](C)C1 ZINC000286370019 353581735 /nfs/dbraw/zinc/58/17/35/353581735.db2.gz NRJKVYJGXOVUFR-ZDUSSCGKSA-N 2 2 291.399 0.844 20 0 CCADLP C[C@]1(F)C[NH2+]CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000655464784 412582283 /nfs/dbraw/zinc/58/22/83/412582283.db2.gz KXTHPJGYHBYEKO-FZMZJTMJSA-N 2 2 280.347 0.606 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655467027 412583121 /nfs/dbraw/zinc/58/31/21/412583121.db2.gz CKJFUVABLJHPBG-FZMZJTMJSA-N 2 2 262.357 0.768 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)N1CCn2c[nH+]cc2C1 ZINC000291236831 353774950 /nfs/dbraw/zinc/77/49/50/353774950.db2.gz LADGHUSGGPXGIT-UHFFFAOYSA-N 2 2 274.328 0.613 20 0 CCADLP C[NH+]1CCN(CC(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000606533247 363294917 /nfs/dbraw/zinc/29/49/17/363294917.db2.gz OOFSYHZNPCJIOI-UHFFFAOYSA-N 2 2 273.340 0.520 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000299501814 354022587 /nfs/dbraw/zinc/02/25/87/354022587.db2.gz LWOWCBFESUGBGC-SNVBAGLBSA-N 2 2 294.355 0.485 20 0 CCADLP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420355047 234607712 /nfs/dbraw/zinc/60/77/12/234607712.db2.gz PKWXIFLHZXOKEI-RISCZKNCSA-N 2 2 297.374 0.597 20 0 CCADLP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420355047 234607715 /nfs/dbraw/zinc/60/77/15/234607715.db2.gz PKWXIFLHZXOKEI-RISCZKNCSA-N 2 2 297.374 0.597 20 0 CCADLP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420358899 234609515 /nfs/dbraw/zinc/60/95/15/234609515.db2.gz VCVCIDPVUWCPFE-NFAWXSAZSA-N 2 2 293.411 0.546 20 0 CCADLP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420358899 234609518 /nfs/dbraw/zinc/60/95/18/234609518.db2.gz VCVCIDPVUWCPFE-NFAWXSAZSA-N 2 2 293.411 0.546 20 0 CCADLP Cc1nc(NC[C@@H](C)C[NH+]2CCCC2)nc(N)[nH+]1 ZINC000302643658 354083329 /nfs/dbraw/zinc/08/33/29/354083329.db2.gz UIDRQZHLDYMLTE-SECBINFHSA-N 2 2 250.350 0.906 20 0 CCADLP Cc1nc(N)nc(NC[C@@H](C)C[NH+]2CCCC2)[nH+]1 ZINC000302643658 354083335 /nfs/dbraw/zinc/08/33/35/354083335.db2.gz UIDRQZHLDYMLTE-SECBINFHSA-N 2 2 250.350 0.906 20 0 CCADLP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cnn(C)c1 ZINC000305159268 354134729 /nfs/dbraw/zinc/13/47/29/354134729.db2.gz WQAHFNYUXUAACD-KBPBESRZSA-N 2 2 266.389 0.918 20 0 CCADLP O[C@@H](C[NH2+]C[C@H](O)C(F)(F)F)C[NH+]1CCCCC1 ZINC000311064320 354197005 /nfs/dbraw/zinc/19/70/05/354197005.db2.gz SZMBFJCFQPJOKT-UWVGGRQHSA-N 2 2 270.295 0.346 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cnn(C)c1 ZINC000311491488 354200658 /nfs/dbraw/zinc/20/06/58/354200658.db2.gz UQUHJQHEOVPPQD-YPMHNXCESA-N 2 2 270.377 0.010 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cnn(C)c1 ZINC000311491488 354200660 /nfs/dbraw/zinc/20/06/60/354200660.db2.gz UQUHJQHEOVPPQD-YPMHNXCESA-N 2 2 270.377 0.010 20 0 CCADLP CC1CCC(NC(=O)C[N@@H+]2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000313349154 354213921 /nfs/dbraw/zinc/21/39/21/354213921.db2.gz LFKFVXXILGLFSC-RUXDESIVSA-N 2 2 283.416 0.731 20 0 CCADLP CC1CCC(NC(=O)C[N@H+]2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000313349154 354213925 /nfs/dbraw/zinc/21/39/25/354213925.db2.gz LFKFVXXILGLFSC-RUXDESIVSA-N 2 2 283.416 0.731 20 0 CCADLP c1cn(CC[N@@H+]2CCn3c(nnc3C3CC3)C2)c[nH+]1 ZINC000328670147 354247992 /nfs/dbraw/zinc/24/79/92/354247992.db2.gz MLMMLYCOBDAEKG-UHFFFAOYSA-N 2 2 258.329 0.868 20 0 CCADLP c1cn(CC[N@H+]2CCn3c(nnc3C3CC3)C2)c[nH+]1 ZINC000328670147 354247995 /nfs/dbraw/zinc/24/79/95/354247995.db2.gz MLMMLYCOBDAEKG-UHFFFAOYSA-N 2 2 258.329 0.868 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000313985504 354220844 /nfs/dbraw/zinc/22/08/44/354220844.db2.gz MYHHHYINDVGQIN-HRCADAONSA-N 3 2 299.459 0.342 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000313985504 354220846 /nfs/dbraw/zinc/22/08/46/354220846.db2.gz MYHHHYINDVGQIN-HRCADAONSA-N 3 2 299.459 0.342 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000313985504 354220849 /nfs/dbraw/zinc/22/08/49/354220849.db2.gz MYHHHYINDVGQIN-HRCADAONSA-N 3 2 299.459 0.342 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000313985504 354220851 /nfs/dbraw/zinc/22/08/51/354220851.db2.gz MYHHHYINDVGQIN-HRCADAONSA-N 3 2 299.459 0.342 20 0 CCADLP C[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(C)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000329901641 354271763 /nfs/dbraw/zinc/27/17/63/354271763.db2.gz OSVKLASPHGTHFW-WOPDTQHZSA-N 2 2 276.340 0.523 20 0 CCADLP C[C@@H]1CC[N@H+]([C@H]2CC(=O)N(C)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000329901641 354271767 /nfs/dbraw/zinc/27/17/67/354271767.db2.gz OSVKLASPHGTHFW-WOPDTQHZSA-N 2 2 276.340 0.523 20 0 CCADLP Cc1cc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)nn1C ZINC000330389359 354340183 /nfs/dbraw/zinc/34/01/83/354340183.db2.gz XYQPWFCJVJKPKC-YPMHNXCESA-N 2 2 252.362 0.446 20 0 CCADLP Cc1cc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)nn1C ZINC000330389359 354340185 /nfs/dbraw/zinc/34/01/85/354340185.db2.gz XYQPWFCJVJKPKC-YPMHNXCESA-N 2 2 252.362 0.446 20 0 CCADLP Cn1c[nH+]cc1CN1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000330403220 354345823 /nfs/dbraw/zinc/34/58/23/354345823.db2.gz LQISJPYKOYREKR-LBPRGKRZSA-N 2 2 281.360 0.088 20 0 CCADLP Cn1c[nH+]cc1CN1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000330403220 354345824 /nfs/dbraw/zinc/34/58/24/354345824.db2.gz LQISJPYKOYREKR-LBPRGKRZSA-N 2 2 281.360 0.088 20 0 CCADLP CC[C@H](C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)[NH+](C)C ZINC000330419487 354351700 /nfs/dbraw/zinc/35/17/00/354351700.db2.gz FYXPKUDCMBNZPS-LLVKDONJSA-N 2 2 284.404 0.785 20 0 CCADLP COC(=O)[C@](C)(O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000331202645 354489908 /nfs/dbraw/zinc/48/99/08/354489908.db2.gz WGCWCYQFICLPSV-YRGRVCCFSA-N 2 2 281.356 0.690 20 0 CCADLP COC(=O)[C@](C)(O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000331202645 354489910 /nfs/dbraw/zinc/48/99/10/354489910.db2.gz WGCWCYQFICLPSV-YRGRVCCFSA-N 2 2 281.356 0.690 20 0 CCADLP CCCN(C(=O)[C@H](C)[NH+]1CCN(C)CC1)C1CC[NH2+]CC1 ZINC000517148879 283029261 /nfs/dbraw/zinc/02/92/61/283029261.db2.gz NNCARMHBNVLYPT-AWEZNQCLSA-N 2 2 296.459 0.613 20 0 CCADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCn1cc[nH+]c1 ZINC000332357704 354653569 /nfs/dbraw/zinc/65/35/69/354653569.db2.gz WGDPWEFQEATARH-RYUDHWBXSA-N 2 2 250.346 0.872 20 0 CCADLP C[C@@H](C(=O)NCCCn1cc[nH+]c1)N1CC[NH+](C)CC1 ZINC000332567000 354697832 /nfs/dbraw/zinc/69/78/32/354697832.db2.gz USJDMIGTQUZIQH-ZDUSSCGKSA-N 2 2 279.388 0.025 20 0 CCADLP Cc1cccc(NCCNC(=O)[C@H](C)[NH+]2CCOCC2)[nH+]1 ZINC000332624252 354706446 /nfs/dbraw/zinc/70/64/46/354706446.db2.gz PFKWPZPHXMTZJT-ZDUSSCGKSA-N 2 2 292.383 0.639 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000333670392 354773490 /nfs/dbraw/zinc/77/34/90/354773490.db2.gz MYJCTKXZFWBVEG-YIYPIFLZSA-N 2 2 296.415 0.147 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000333670392 354773495 /nfs/dbraw/zinc/77/34/95/354773495.db2.gz MYJCTKXZFWBVEG-YIYPIFLZSA-N 2 2 296.415 0.147 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000333675037 354774275 /nfs/dbraw/zinc/77/42/75/354774275.db2.gz YVPQQICXIISSTI-GXTWGEPZSA-N 2 2 284.404 0.006 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000333675037 354774278 /nfs/dbraw/zinc/77/42/78/354774278.db2.gz YVPQQICXIISSTI-GXTWGEPZSA-N 2 2 284.404 0.006 20 0 CCADLP C[NH+](C)C1(CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000333775279 354792332 /nfs/dbraw/zinc/79/23/32/354792332.db2.gz ZAHSBSRLVTUTJV-LBPRGKRZSA-N 2 2 291.399 0.981 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000333863326 354806722 /nfs/dbraw/zinc/80/67/22/354806722.db2.gz ZVMOALXHDVTNLY-HZSPNIEDSA-N 2 2 298.431 0.394 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000608008467 363389438 /nfs/dbraw/zinc/38/94/38/363389438.db2.gz GHNRCLJRDHXJBL-CYBMUJFWSA-N 2 2 278.356 0.206 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000333796689 354795780 /nfs/dbraw/zinc/79/57/80/354795780.db2.gz NJOBJBQXOTVNSX-QWHCGFSZSA-N 2 2 298.431 0.394 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000333796689 354795783 /nfs/dbraw/zinc/79/57/83/354795783.db2.gz NJOBJBQXOTVNSX-QWHCGFSZSA-N 2 2 298.431 0.394 20 0 CCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@H]1CCC[NH2+]C1 ZINC000333798356 354796262 /nfs/dbraw/zinc/79/62/62/354796262.db2.gz NQWWEJCSCBOXFV-LBPRGKRZSA-N 2 2 291.399 0.813 20 0 CCADLP Cc1nc(NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc[nH+]1 ZINC000608078283 363398405 /nfs/dbraw/zinc/39/84/05/363398405.db2.gz RFIHEULOFQEIQR-CYBMUJFWSA-N 2 2 264.373 0.976 20 0 CCADLP Cc1nc(NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc[nH+]1 ZINC000608078283 363398410 /nfs/dbraw/zinc/39/84/10/363398410.db2.gz RFIHEULOFQEIQR-CYBMUJFWSA-N 2 2 264.373 0.976 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]Cc2c[nH+]cn2C)C(=O)N1c1cnn(C)c1 ZINC000608075323 363398975 /nfs/dbraw/zinc/39/89/75/363398975.db2.gz MVKKPGAZIHLIHD-GXFFZTMASA-N 2 2 288.355 0.437 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000334509653 354880531 /nfs/dbraw/zinc/88/05/31/354880531.db2.gz ZUWWPCWTSPAILE-LBPRGKRZSA-N 2 2 258.325 0.902 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000334509653 354880533 /nfs/dbraw/zinc/88/05/33/354880533.db2.gz ZUWWPCWTSPAILE-LBPRGKRZSA-N 2 2 258.325 0.902 20 0 CCADLP C[C@]1(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC[NH2+]C1 ZINC000423803290 235086501 /nfs/dbraw/zinc/08/65/01/235086501.db2.gz PONGIJJNLWXRTP-WFASDCNBSA-N 2 2 274.368 0.776 20 0 CCADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCCNC2=O)C1 ZINC000336692133 355137306 /nfs/dbraw/zinc/13/73/06/355137306.db2.gz BOBXVMZMPLACFZ-OLZOCXBDSA-N 2 2 253.390 0.929 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCCNC2=O)C1 ZINC000336692133 355137308 /nfs/dbraw/zinc/13/73/08/355137308.db2.gz BOBXVMZMPLACFZ-OLZOCXBDSA-N 2 2 253.390 0.929 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC000336692133 355137309 /nfs/dbraw/zinc/13/73/09/355137309.db2.gz BOBXVMZMPLACFZ-OLZOCXBDSA-N 2 2 253.390 0.929 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCCNC2=O)C1 ZINC000336692133 355137311 /nfs/dbraw/zinc/13/73/11/355137311.db2.gz BOBXVMZMPLACFZ-OLZOCXBDSA-N 2 2 253.390 0.929 20 0 CCADLP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000424140554 235160890 /nfs/dbraw/zinc/16/08/90/235160890.db2.gz SMDJJDZUEOOMFU-RRFJBIMHSA-N 2 2 289.379 0.523 20 0 CCADLP [NH3+][C@@H]1C[C@@H]1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000424145091 235161397 /nfs/dbraw/zinc/16/13/97/235161397.db2.gz YMEKVSSEXKFYIM-UONOGXRCSA-N 2 2 270.336 0.895 20 0 CCADLP C[NH+]1CCC([N@H+](CCO)C[C@@H]2CCCOC2)CC1 ZINC000336714784 355146868 /nfs/dbraw/zinc/14/68/68/355146868.db2.gz QMIQQCXKLMDCDU-ZDUSSCGKSA-N 2 2 256.390 0.802 20 0 CCADLP C[NH+]1CCC([N@@H+](CCO)C[C@@H]2CCCOC2)CC1 ZINC000336714784 355146871 /nfs/dbraw/zinc/14/68/71/355146871.db2.gz QMIQQCXKLMDCDU-ZDUSSCGKSA-N 2 2 256.390 0.802 20 0 CCADLP CS[C@@H]1CN(CC[NH+]2CCOCC2)C[C@@H]1[NH+](C)C ZINC000336736931 355155598 /nfs/dbraw/zinc/15/55/98/355155598.db2.gz ZAELDATYFUAZFL-QWHCGFSZSA-N 2 2 273.446 0.296 20 0 CCADLP Cn1cc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)nn1 ZINC000336845283 355214636 /nfs/dbraw/zinc/21/46/36/355214636.db2.gz FMDIAOHKZCOBGP-UHFFFAOYSA-N 2 2 292.431 0.275 20 0 CCADLP CC(C)[C@H](O)C[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000336807290 355182925 /nfs/dbraw/zinc/18/29/25/355182925.db2.gz IFWJIUQEJXRCIC-CYBMUJFWSA-N 2 2 266.389 0.555 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000336823473 355197613 /nfs/dbraw/zinc/19/76/13/355197613.db2.gz PRRULGWHJPVSOI-UHFFFAOYSA-N 3 2 280.416 0.970 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000336823473 355197614 /nfs/dbraw/zinc/19/76/14/355197614.db2.gz PRRULGWHJPVSOI-UHFFFAOYSA-N 3 2 280.416 0.970 20 0 CCADLP Cc1cc[nH+]c(N2CC[NH+](CCCS(N)(=O)=O)CC2)c1 ZINC000336823769 355198613 /nfs/dbraw/zinc/19/86/13/355198613.db2.gz RDYSKZUYSGOCCB-UHFFFAOYSA-N 2 2 298.412 0.191 20 0 CCADLP Cc1cc[nH+]c(N2CC[NH+](C[C@H]3COCCO3)CC2)c1 ZINC000336825267 355199842 /nfs/dbraw/zinc/19/98/42/355199842.db2.gz XVGRXZCCDZCEIF-AWEZNQCLSA-N 2 2 277.368 0.927 20 0 CCADLP [NH3+]C[C@H](NC(=O)Cc1cn2ccccc2[nH+]1)C(F)(F)F ZINC000655513734 412605780 /nfs/dbraw/zinc/60/57/80/412605780.db2.gz CUYHJYAELRIRCE-VIFPVBQESA-N 2 2 286.257 0.883 20 0 CCADLP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424460223 235208055 /nfs/dbraw/zinc/20/80/55/235208055.db2.gz AROJOCKYMIMIQR-OUAUKWLOSA-N 2 2 290.358 0.610 20 0 CCADLP C[C@H]1CN(CC[N@H+](C)C[C@H]2CCC[NH+](C)C2)CCO1 ZINC000337259563 355292483 /nfs/dbraw/zinc/29/24/83/355292483.db2.gz WDVNYSJPOYUOED-GJZGRUSLSA-N 2 2 269.433 0.981 20 0 CCADLP C[C@H]1CN(CC[N@@H+](C)C[C@H]2CCC[NH+](C)C2)CCO1 ZINC000337259563 355292484 /nfs/dbraw/zinc/29/24/84/355292484.db2.gz WDVNYSJPOYUOED-GJZGRUSLSA-N 2 2 269.433 0.981 20 0 CCADLP C[C@H]1C[NH+](CCN(C)C[C@H]2CCC[N@H+](C)C2)CCO1 ZINC000337259563 355292489 /nfs/dbraw/zinc/29/24/89/355292489.db2.gz WDVNYSJPOYUOED-GJZGRUSLSA-N 2 2 269.433 0.981 20 0 CCADLP C[C@H]1C[NH+](CCN(C)C[C@H]2CCC[N@@H+](C)C2)CCO1 ZINC000337259563 355292490 /nfs/dbraw/zinc/29/24/90/355292490.db2.gz WDVNYSJPOYUOED-GJZGRUSLSA-N 2 2 269.433 0.981 20 0 CCADLP C[C@@H]1C[C@H]([NH+](C)CCC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000338309392 355317644 /nfs/dbraw/zinc/31/76/44/355317644.db2.gz URCXPJNKBWZHJQ-HUUCEWRRSA-N 3 2 296.459 0.565 20 0 CCADLP C[C@@H]1C[C@H]([NH+](C)CCC(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000338309392 355317647 /nfs/dbraw/zinc/31/76/47/355317647.db2.gz URCXPJNKBWZHJQ-HUUCEWRRSA-N 3 2 296.459 0.565 20 0 CCADLP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)N2CC[NH+](C)CC2)CC[NH+]1C ZINC000338309392 355317650 /nfs/dbraw/zinc/31/76/50/355317650.db2.gz URCXPJNKBWZHJQ-HUUCEWRRSA-N 3 2 296.459 0.565 20 0 CCADLP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)N2CC[NH+](C)CC2)CC[NH+]1C ZINC000338309392 355317653 /nfs/dbraw/zinc/31/76/53/355317653.db2.gz URCXPJNKBWZHJQ-HUUCEWRRSA-N 3 2 296.459 0.565 20 0 CCADLP CC(C)(O)C[NH+]1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000339134307 355492226 /nfs/dbraw/zinc/49/22/26/355492226.db2.gz UWFBEUBGAIPHKB-UHFFFAOYSA-N 2 2 275.356 0.851 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000339177046 355500088 /nfs/dbraw/zinc/50/00/88/355500088.db2.gz YSVUJKNMPVPDIA-AWEZNQCLSA-N 2 2 292.383 0.332 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000339177046 355500091 /nfs/dbraw/zinc/50/00/91/355500091.db2.gz YSVUJKNMPVPDIA-AWEZNQCLSA-N 2 2 292.383 0.332 20 0 CCADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC000335491131 283105612 /nfs/dbraw/zinc/10/56/12/283105612.db2.gz JTFSEHGTJOVRDQ-XJKSGUPXSA-N 2 2 288.395 1.000 20 0 CCADLP C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC000335491131 283105619 /nfs/dbraw/zinc/10/56/19/283105619.db2.gz JTFSEHGTJOVRDQ-XJKSGUPXSA-N 2 2 288.395 1.000 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000341626108 355707188 /nfs/dbraw/zinc/70/71/88/355707188.db2.gz AKXJMGJTAUOYIZ-AWEZNQCLSA-N 2 2 295.427 0.651 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000341639232 355709424 /nfs/dbraw/zinc/70/94/24/355709424.db2.gz NEEKOXIKKHFUJM-QWHCGFSZSA-N 2 2 269.389 0.117 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000341639232 355709427 /nfs/dbraw/zinc/70/94/27/355709427.db2.gz NEEKOXIKKHFUJM-QWHCGFSZSA-N 2 2 269.389 0.117 20 0 CCADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1nccn1C ZINC000341699784 355717637 /nfs/dbraw/zinc/71/76/37/355717637.db2.gz ZSPLTPSINXYWBK-STQMWFEESA-N 2 2 265.405 0.707 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCC[NH2+][C@H]1C)[NH+]1CCOCC1 ZINC000342766522 355741905 /nfs/dbraw/zinc/74/19/05/355741905.db2.gz VRCJQYMBRXZSFZ-AVGNSLFASA-N 2 2 269.389 0.211 20 0 CCADLP C[NH2+]C(C)(C)CNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000342777061 355744434 /nfs/dbraw/zinc/74/44/34/355744434.db2.gz BDQFWAOFZPDWOC-UHFFFAOYSA-N 2 2 266.393 0.893 20 0 CCADLP C[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCSCC1 ZINC000343326385 355769305 /nfs/dbraw/zinc/76/93/05/355769305.db2.gz WXYQSLHWZLGUSP-RYUDHWBXSA-N 2 2 283.441 0.777 20 0 CCADLP C[C@@H](C(=O)N[C@H]1CC[N@H+](C2CC2)C1)[NH+]1CCSCC1 ZINC000343326385 355769306 /nfs/dbraw/zinc/76/93/06/355769306.db2.gz WXYQSLHWZLGUSP-RYUDHWBXSA-N 2 2 283.441 0.777 20 0 CCADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)NCC1CCC1 ZINC000428031578 235391003 /nfs/dbraw/zinc/39/10/03/235391003.db2.gz HMMONOSUJCISRY-QWHCGFSZSA-N 2 2 251.374 0.587 20 0 CCADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)NCC1CCC1 ZINC000428031578 235391006 /nfs/dbraw/zinc/39/10/06/235391006.db2.gz HMMONOSUJCISRY-QWHCGFSZSA-N 2 2 251.374 0.587 20 0 CCADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)NCC1CCC1 ZINC000428031576 235391655 /nfs/dbraw/zinc/39/16/55/235391655.db2.gz HMMONOSUJCISRY-CHWSQXEVSA-N 2 2 251.374 0.587 20 0 CCADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)NCC1CCC1 ZINC000428031576 235391659 /nfs/dbraw/zinc/39/16/59/235391659.db2.gz HMMONOSUJCISRY-CHWSQXEVSA-N 2 2 251.374 0.587 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2C[C@@]23CCOC3)CC1 ZINC000368107694 137940896 /nfs/dbraw/zinc/94/08/96/137940896.db2.gz NMSVASZLYKFZPW-GDBMZVCRSA-N 2 2 295.427 0.555 20 0 CCADLP CO[C@@H]1C[C@H](CO)[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348485655 355939049 /nfs/dbraw/zinc/93/90/49/355939049.db2.gz VRRIYIWVSYWXRK-GHMZBOCLSA-N 2 2 285.413 0.786 20 0 CCADLP CO[C@@H]1C[C@H](CO)[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348485655 355939054 /nfs/dbraw/zinc/93/90/54/355939054.db2.gz VRRIYIWVSYWXRK-GHMZBOCLSA-N 2 2 285.413 0.786 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C1(C(N)=O)CCCC1 ZINC000351712831 356004038 /nfs/dbraw/zinc/00/40/38/356004038.db2.gz RPRFYNHBVGBCIL-LBPRGKRZSA-N 2 2 269.389 0.171 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C1(C(N)=O)CCCC1 ZINC000351712831 356004042 /nfs/dbraw/zinc/00/40/42/356004042.db2.gz RPRFYNHBVGBCIL-LBPRGKRZSA-N 2 2 269.389 0.171 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+](C)C1(C(N)=O)CCCC1)C1CC1 ZINC000351712831 356004045 /nfs/dbraw/zinc/00/40/45/356004045.db2.gz RPRFYNHBVGBCIL-LBPRGKRZSA-N 2 2 269.389 0.171 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+](C)C1(C(N)=O)CCCC1)C1CC1 ZINC000351712831 356004048 /nfs/dbraw/zinc/00/40/48/356004048.db2.gz RPRFYNHBVGBCIL-LBPRGKRZSA-N 2 2 269.389 0.171 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000352744541 356068625 /nfs/dbraw/zinc/06/86/25/356068625.db2.gz OVYBNFHBPZBDJW-GFCCVEGCSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000352744541 356068629 /nfs/dbraw/zinc/06/86/29/356068629.db2.gz OVYBNFHBPZBDJW-GFCCVEGCSA-N 2 2 286.420 0.347 20 0 CCADLP CN1C[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)CCC1=O ZINC000352760907 356072644 /nfs/dbraw/zinc/07/26/44/356072644.db2.gz BKRJLAFESIDZSC-JTQLQIEISA-N 2 2 282.413 0.915 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000352805318 356085160 /nfs/dbraw/zinc/08/51/60/356085160.db2.gz OKWLUDZAHSDPGR-CYBMUJFWSA-N 2 2 292.383 0.836 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000352805318 356085162 /nfs/dbraw/zinc/08/51/62/356085162.db2.gz OKWLUDZAHSDPGR-CYBMUJFWSA-N 2 2 292.383 0.836 20 0 CCADLP CCCC[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)CC(=O)OC)CC1 ZINC000353201998 356177646 /nfs/dbraw/zinc/17/76/46/356177646.db2.gz IPTLBZWURKWRGK-QWHCGFSZSA-N 2 2 299.415 0.600 20 0 CCADLP COc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)cc1O ZINC000353390485 356214581 /nfs/dbraw/zinc/21/45/81/356214581.db2.gz UWFJMCIWJXASJS-CMPLNLGQSA-N 2 2 268.357 0.974 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000353424480 356218181 /nfs/dbraw/zinc/21/81/81/356218181.db2.gz HHYHSSZBHSOWPV-UWVGGRQHSA-N 2 2 252.318 0.089 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N(C)CC[NH+]1CCCC1 ZINC000353445477 356224081 /nfs/dbraw/zinc/22/40/81/356224081.db2.gz XDWZMVXYEALOPC-CQSZACIVSA-N 2 2 298.431 0.444 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N(C)CC[NH+]1CCCC1 ZINC000353445477 356224084 /nfs/dbraw/zinc/22/40/84/356224084.db2.gz XDWZMVXYEALOPC-CQSZACIVSA-N 2 2 298.431 0.444 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000353574808 356251824 /nfs/dbraw/zinc/25/18/24/356251824.db2.gz DCAFOHJRUVVGFF-ZDUSSCGKSA-N 2 2 279.388 0.048 20 0 CCADLP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000360815421 138012025 /nfs/dbraw/zinc/01/20/25/138012025.db2.gz FUWQCRGUJOGAQS-MNOVXSKESA-N 2 2 293.358 0.457 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000655577678 412624175 /nfs/dbraw/zinc/62/41/75/412624175.db2.gz ZJOPFVDULVTNNR-CQSZACIVSA-N 2 2 291.399 0.746 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000655577678 412624180 /nfs/dbraw/zinc/62/41/80/412624180.db2.gz ZJOPFVDULVTNNR-CQSZACIVSA-N 2 2 291.399 0.746 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000353675857 356271612 /nfs/dbraw/zinc/27/16/12/356271612.db2.gz FYIPUNHGBGAPHA-OLZOCXBDSA-N 2 2 269.389 0.339 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000353675857 356271616 /nfs/dbraw/zinc/27/16/16/356271616.db2.gz FYIPUNHGBGAPHA-OLZOCXBDSA-N 2 2 269.389 0.339 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](OC)C2)CC1 ZINC000361374542 138033139 /nfs/dbraw/zinc/03/31/39/138033139.db2.gz XQVSPJCNQYBUQF-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](OC)C2)CC1 ZINC000361374542 138033140 /nfs/dbraw/zinc/03/31/40/138033140.db2.gz XQVSPJCNQYBUQF-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP COC[C@@H]([NH3+])C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000353807869 356297700 /nfs/dbraw/zinc/29/77/00/356297700.db2.gz RZWHQTAYYLWCRF-GFCCVEGCSA-N 2 2 290.367 0.825 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2C=C[C@H](CO)C2)CC1 ZINC000360983487 138017812 /nfs/dbraw/zinc/01/78/12/138017812.db2.gz AVHXMRUSAVEJDN-DZGCQCFKSA-N 2 2 296.411 0.931 20 0 CCADLP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@@H]1COCC[NH2+]1 ZINC000361112705 138022544 /nfs/dbraw/zinc/02/25/44/138022544.db2.gz VQPIIJVIJGOFGS-LBPRGKRZSA-N 2 2 277.324 0.096 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000361217687 138025028 /nfs/dbraw/zinc/02/50/28/138025028.db2.gz STJLNBVIXPCKQT-RRFJBIMHSA-N 3 2 268.449 0.552 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000361217687 138025029 /nfs/dbraw/zinc/02/50/29/138025029.db2.gz STJLNBVIXPCKQT-RRFJBIMHSA-N 3 2 268.449 0.552 20 0 CCADLP C[NH+](C)CCOCCNc1cc[nH+]c(C2CC2)n1 ZINC000354050766 356336253 /nfs/dbraw/zinc/33/62/53/356336253.db2.gz ZMPRVACRROCYSX-UHFFFAOYSA-N 2 2 250.346 0.766 20 0 CCADLP C[C@H]1C[C@H](NC(=O)NCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000361860477 138037244 /nfs/dbraw/zinc/03/72/44/138037244.db2.gz YBFRLMJGXFQBPD-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H]1C[C@H](NC(=O)NCC[NH+]2CCOCC2)CC[N@H+]1C ZINC000361860477 138037245 /nfs/dbraw/zinc/03/72/45/138037245.db2.gz YBFRLMJGXFQBPD-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP CN(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C1CC(O)C1 ZINC000354140523 356352274 /nfs/dbraw/zinc/35/22/74/356352274.db2.gz UVXUHKSDAPUDNS-UHFFFAOYSA-N 2 2 298.431 0.177 20 0 CCADLP C[NH+](C)CC1CC[NH+](CC(=O)Nc2nncs2)CC1 ZINC000354377264 356401954 /nfs/dbraw/zinc/40/19/54/356401954.db2.gz BGVVAAAXMXPKAG-UHFFFAOYSA-N 2 2 283.401 0.750 20 0 CCADLP CC(C)COC[C@@H](O)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000354578218 356443409 /nfs/dbraw/zinc/44/34/09/356443409.db2.gz SKDJQLVEDIDBGA-AWEZNQCLSA-N 2 2 296.415 0.561 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CCSC2)CC1 ZINC000354720439 356482878 /nfs/dbraw/zinc/48/28/78/356482878.db2.gz XUIDCLGBUCTDNP-LBPRGKRZSA-N 2 2 285.457 0.882 20 0 CCADLP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609258440 363481179 /nfs/dbraw/zinc/48/11/79/363481179.db2.gz VVEFGJULWHYNHL-LBPRGKRZSA-N 2 2 294.355 0.199 20 0 CCADLP COC(=O)CCNC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609258440 363481184 /nfs/dbraw/zinc/48/11/84/363481184.db2.gz VVEFGJULWHYNHL-LBPRGKRZSA-N 2 2 294.355 0.199 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000355080780 356571106 /nfs/dbraw/zinc/57/11/06/356571106.db2.gz DGKBEQPBRCQQCF-GFCCVEGCSA-N 2 2 257.378 0.165 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000355080780 356571109 /nfs/dbraw/zinc/57/11/09/356571109.db2.gz DGKBEQPBRCQQCF-GFCCVEGCSA-N 2 2 257.378 0.165 20 0 CCADLP CC[C@@H](C(=O)N(CC[NH+]1CCOCC1)CC1CC1)[NH+](C)C ZINC000619886791 366369726 /nfs/dbraw/zinc/36/97/26/366369726.db2.gz AGNMQHRUKAHXKZ-HNNXBMFYSA-N 2 2 297.443 0.897 20 0 CCADLP C[C@H](CNC(=O)c1cc(C[NH+](C)C)on1)Cn1cc[nH+]c1 ZINC000359440357 356822265 /nfs/dbraw/zinc/82/22/65/356822265.db2.gz PAFWWSKQGWVMBW-LLVKDONJSA-N 2 2 291.355 0.999 20 0 CCADLP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000358738652 356782716 /nfs/dbraw/zinc/78/27/16/356782716.db2.gz AYBUNTVWGGOHIP-GXTWGEPZSA-N 2 2 277.416 0.633 20 0 CCADLP COc1cccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)n1 ZINC000359699666 356872953 /nfs/dbraw/zinc/87/29/53/356872953.db2.gz JQEUCTQAGGGUAE-ZDUSSCGKSA-N 2 2 251.330 0.246 20 0 CCADLP COc1cccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)n1 ZINC000359699666 356872955 /nfs/dbraw/zinc/87/29/55/356872955.db2.gz JQEUCTQAGGGUAE-ZDUSSCGKSA-N 2 2 251.330 0.246 20 0 CCADLP C[N@@H+]1CCC[C@@H](NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655697989 412645705 /nfs/dbraw/zinc/64/57/05/412645705.db2.gz XQTNMUBKVQMYKS-HUUCEWRRSA-N 2 2 267.417 0.924 20 0 CCADLP C[N@H+]1CCC[C@@H](NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655697989 412645709 /nfs/dbraw/zinc/64/57/09/412645709.db2.gz XQTNMUBKVQMYKS-HUUCEWRRSA-N 2 2 267.417 0.924 20 0 CCADLP CN1CCC[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655697989 412645712 /nfs/dbraw/zinc/64/57/12/412645712.db2.gz XQTNMUBKVQMYKS-HUUCEWRRSA-N 2 2 267.417 0.924 20 0 CCADLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)NCCCOC)CC1 ZINC000359951914 356925963 /nfs/dbraw/zinc/92/59/63/356925963.db2.gz GIQALDKZTHMSKO-GFCCVEGCSA-N 2 2 271.405 0.602 20 0 CCADLP Cc1cc([C@H]2CCC[N@H+]2CC(=O)N2CC[NH+](C)CC2)on1 ZINC000329151519 202207720 /nfs/dbraw/zinc/20/77/20/202207720.db2.gz SLKXUWAAPCIWPQ-CYBMUJFWSA-N 2 2 292.383 0.894 20 0 CCADLP Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N2CC[NH+](C)CC2)on1 ZINC000329151519 202207723 /nfs/dbraw/zinc/20/77/23/202207723.db2.gz SLKXUWAAPCIWPQ-CYBMUJFWSA-N 2 2 292.383 0.894 20 0 CCADLP CC1(C)C[C@@H]([NH2+]C[C@@H](O)CO)C[N@@H+]1Cc1ccccc1 ZINC000364140334 357088666 /nfs/dbraw/zinc/08/86/66/357088666.db2.gz FSHRYRGLPYQAKL-HUUCEWRRSA-N 2 2 278.396 0.982 20 0 CCADLP CC1(C)C[C@@H]([NH2+]C[C@@H](O)CO)C[N@H+]1Cc1ccccc1 ZINC000364140334 357088670 /nfs/dbraw/zinc/08/86/70/357088670.db2.gz FSHRYRGLPYQAKL-HUUCEWRRSA-N 2 2 278.396 0.982 20 0 CCADLP C[NH+](C)[C@H]1CCN(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000366472285 357214351 /nfs/dbraw/zinc/21/43/51/357214351.db2.gz LGCUTNIDNRMDBV-UONOGXRCSA-N 2 2 296.415 0.195 20 0 CCADLP C[NH+](C)[C@H]1CCN(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000366472285 357214355 /nfs/dbraw/zinc/21/43/55/357214355.db2.gz LGCUTNIDNRMDBV-UONOGXRCSA-N 2 2 296.415 0.195 20 0 CCADLP Cc1cccn2cc(CNC(=O)C[C@H]3COCC[NH2+]3)[nH+]c12 ZINC000375942011 357418343 /nfs/dbraw/zinc/41/83/43/357418343.db2.gz RJCBBPOEWQWTTC-LBPRGKRZSA-N 2 2 288.351 0.637 20 0 CCADLP CCN(C)C(=O)[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655760839 412655414 /nfs/dbraw/zinc/65/54/14/412655414.db2.gz YYXLBRDODXJIQO-JSGCOSHPSA-N 2 2 283.416 0.696 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000619902479 366383607 /nfs/dbraw/zinc/38/36/07/366383607.db2.gz INNHJGWNCJLPQP-TZMCWYRMSA-N 2 2 293.415 0.623 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000619902479 366383611 /nfs/dbraw/zinc/38/36/11/366383611.db2.gz INNHJGWNCJLPQP-TZMCWYRMSA-N 2 2 293.415 0.623 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000377346442 357567496 /nfs/dbraw/zinc/56/74/96/357567496.db2.gz PWCGQBWWQKZKPD-AAEUAGOBSA-N 2 2 293.371 0.083 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000377346442 357567499 /nfs/dbraw/zinc/56/74/99/357567499.db2.gz PWCGQBWWQKZKPD-AAEUAGOBSA-N 2 2 293.371 0.083 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000377393562 357570657 /nfs/dbraw/zinc/57/06/57/357570657.db2.gz SUPFPKFDOJTYGE-CYBMUJFWSA-N 2 2 299.415 0.424 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000377393562 357570662 /nfs/dbraw/zinc/57/06/62/357570662.db2.gz SUPFPKFDOJTYGE-CYBMUJFWSA-N 2 2 299.415 0.424 20 0 CCADLP CCN(C)C(=O)[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655760840 412655761 /nfs/dbraw/zinc/65/57/61/412655761.db2.gz YYXLBRDODXJIQO-OCCSQVGLSA-N 2 2 283.416 0.696 20 0 CCADLP Cc1ccccc1[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000449119166 236018152 /nfs/dbraw/zinc/01/81/52/236018152.db2.gz WTQMDCILWCTPRD-HIFRSBDPSA-N 2 2 291.395 0.832 20 0 CCADLP Cc1ccccc1[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000449119166 236018153 /nfs/dbraw/zinc/01/81/53/236018153.db2.gz WTQMDCILWCTPRD-HIFRSBDPSA-N 2 2 291.395 0.832 20 0 CCADLP CCn1nnc(C)c1C[NH2+]C[C@H]1CCC[N@@H+]1CCOC ZINC000449115565 236018457 /nfs/dbraw/zinc/01/84/57/236018457.db2.gz HZNCBYWISFWRKE-CYBMUJFWSA-N 2 2 281.404 0.807 20 0 CCADLP CCn1nnc(C)c1C[NH2+]C[C@H]1CCC[N@H+]1CCOC ZINC000449115565 236018458 /nfs/dbraw/zinc/01/84/58/236018458.db2.gz HZNCBYWISFWRKE-CYBMUJFWSA-N 2 2 281.404 0.807 20 0 CCADLP NC(=O)c1ccc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1 ZINC000449389079 236031517 /nfs/dbraw/zinc/03/15/17/236031517.db2.gz BWKVUVHZQABXNM-OAHLLOKOSA-N 2 2 291.395 0.722 20 0 CCADLP NC(=O)c1ccc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1 ZINC000449389079 236031519 /nfs/dbraw/zinc/03/15/19/236031519.db2.gz BWKVUVHZQABXNM-OAHLLOKOSA-N 2 2 291.395 0.722 20 0 CCADLP Cc1nn(C)c(C)c1C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449394729 236032053 /nfs/dbraw/zinc/03/20/53/236032053.db2.gz OQFRNPAZZYJVCH-AWEZNQCLSA-N 2 2 280.416 0.973 20 0 CCADLP Cc1nn(C)c(C)c1C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449394729 236032055 /nfs/dbraw/zinc/03/20/55/236032055.db2.gz OQFRNPAZZYJVCH-AWEZNQCLSA-N 2 2 280.416 0.973 20 0 CCADLP CC[NH+](CC)[C@@H]1CCN(c2nc(C)[nH+]c(N)n2)C1 ZINC000394426920 357756639 /nfs/dbraw/zinc/75/66/39/357756639.db2.gz VOIURYVGBUTMOZ-SNVBAGLBSA-N 2 2 250.350 0.513 20 0 CCADLP CNC(=O)C1CCC([NH2+][C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000334270978 283285956 /nfs/dbraw/zinc/28/59/56/283285956.db2.gz GFXYBGWAZMLUDT-XVSSEFHLSA-N 2 2 253.390 0.831 20 0 CCADLP CNC(=O)C1CCC([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000334270978 283285959 /nfs/dbraw/zinc/28/59/59/283285959.db2.gz GFXYBGWAZMLUDT-XVSSEFHLSA-N 2 2 253.390 0.831 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCN2CCCC2=O)C[N@@H+]1C1CC1 ZINC000405514038 357827137 /nfs/dbraw/zinc/82/71/37/357827137.db2.gz ZQBOMXTZPRMABH-NWDGAFQWSA-N 2 2 251.374 0.824 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCN2CCCC2=O)C[N@H+]1C1CC1 ZINC000405514038 357827140 /nfs/dbraw/zinc/82/71/40/357827140.db2.gz ZQBOMXTZPRMABH-NWDGAFQWSA-N 2 2 251.374 0.824 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000422967845 290603062 /nfs/dbraw/zinc/60/30/62/290603062.db2.gz UMDNLBYUHWWLCW-DZGCQCFKSA-N 3 2 268.449 0.600 20 0 CCADLP c1cnn(CCC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422815903 358192784 /nfs/dbraw/zinc/19/27/84/358192784.db2.gz YNGPVDACHLWNMY-KGLIPLIRSA-N 2 2 264.373 0.630 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000422864355 358194307 /nfs/dbraw/zinc/19/43/07/358194307.db2.gz UUVKBWWNVRDUAF-KFWWJZLASA-N 3 2 268.449 0.743 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000423020038 358196193 /nfs/dbraw/zinc/19/61/93/358196193.db2.gz YKOWYZAVBLSSFI-MROQNXINSA-N 2 2 269.389 0.210 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000423194998 358197023 /nfs/dbraw/zinc/19/70/23/358197023.db2.gz XCIDTWHBLHXOIX-QWRGUYRKSA-N 2 2 262.419 0.787 20 0 CCADLP CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[NH2+]C1 ZINC000423306714 358197906 /nfs/dbraw/zinc/19/79/06/358197906.db2.gz UIBYKPKUKJXPRN-SRVKXCTJSA-N 2 2 260.403 0.684 20 0 CCADLP [NH3+][C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000424475384 358211379 /nfs/dbraw/zinc/21/13/79/358211379.db2.gz JGNNSCOVYSGYKQ-HBNTYKKESA-N 2 2 277.372 0.836 20 0 CCADLP [NH3+][C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000424475384 358211382 /nfs/dbraw/zinc/21/13/82/358211382.db2.gz JGNNSCOVYSGYKQ-HBNTYKKESA-N 2 2 277.372 0.836 20 0 CCADLP CN(C)c1ccc(CNC(=O)Cn2cc[nH+]c2)c[nH+]1 ZINC000562273648 291141564 /nfs/dbraw/zinc/14/15/64/291141564.db2.gz VHAQVDBYWNLKHW-UHFFFAOYSA-N 2 2 259.313 0.661 20 0 CCADLP C[C@H](C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)CS(C)(=O)=O ZINC000428033385 358220307 /nfs/dbraw/zinc/22/03/07/358220307.db2.gz MMBVGLORRJCWLQ-UTUOFQBUSA-N 2 2 260.403 0.351 20 0 CCADLP C[C@H](C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)CS(C)(=O)=O ZINC000428033385 358220310 /nfs/dbraw/zinc/22/03/10/358220310.db2.gz MMBVGLORRJCWLQ-UTUOFQBUSA-N 2 2 260.403 0.351 20 0 CCADLP C[N@@H+]1CCC[C@@H](CCNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000458183298 358277183 /nfs/dbraw/zinc/27/71/83/358277183.db2.gz FGYTXNBPAJKJTJ-AWEZNQCLSA-N 2 2 297.443 0.945 20 0 CCADLP C[N@H+]1CCC[C@@H](CCNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000458183298 358277184 /nfs/dbraw/zinc/27/71/84/358277184.db2.gz FGYTXNBPAJKJTJ-AWEZNQCLSA-N 2 2 297.443 0.945 20 0 CCADLP CCN1CC[NH+](CCCCNC(=O)Cn2cc[nH+]c2)CC1 ZINC000562297000 291143096 /nfs/dbraw/zinc/14/30/96/291143096.db2.gz WUXHLJVKVVGJMY-UHFFFAOYSA-N 2 2 293.415 0.417 20 0 CCADLP CC[NH+]1CCN(CCCCNC(=O)Cn2cc[nH+]c2)CC1 ZINC000562297000 291143099 /nfs/dbraw/zinc/14/30/99/291143099.db2.gz WUXHLJVKVVGJMY-UHFFFAOYSA-N 2 2 293.415 0.417 20 0 CCADLP C[C@@H](C[NH2+][C@H]1CCC(=O)NC1(C)C)C[NH+]1CCOCC1 ZINC000562364930 291146836 /nfs/dbraw/zinc/14/68/36/291146836.db2.gz LCAOGWGEDQKICZ-STQMWFEESA-N 2 2 283.416 0.602 20 0 CCADLP C[N@@H+](CC1=CCCOC1)C1CC[NH+](CCO)CC1 ZINC000353361406 522611528 /nfs/dbraw/zinc/61/15/28/522611528.db2.gz UWCOGOAMVUXJJD-UHFFFAOYSA-N 2 2 254.374 0.722 20 0 CCADLP C[N@H+](C[C@H](O)C[NH3+])[C@H]1CCN(C2CCCCC2)C1=O ZINC000530226668 358382670 /nfs/dbraw/zinc/38/26/70/358382670.db2.gz PPTDCUWXYARSFR-OLZOCXBDSA-N 2 2 269.389 0.171 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH3+])[C@H]1CCN(C2CCCCC2)C1=O ZINC000530226668 358382673 /nfs/dbraw/zinc/38/26/73/358382673.db2.gz PPTDCUWXYARSFR-OLZOCXBDSA-N 2 2 269.389 0.171 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC2(CCO2)CC1)C1CC1 ZINC000565628578 358564430 /nfs/dbraw/zinc/56/44/30/358564430.db2.gz YIMGFLKUQMMXJC-ZDUSSCGKSA-N 2 2 254.374 0.696 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC2(CCO2)CC1)C1CC1 ZINC000565628578 358564440 /nfs/dbraw/zinc/56/44/40/358564440.db2.gz YIMGFLKUQMMXJC-ZDUSSCGKSA-N 2 2 254.374 0.696 20 0 CCADLP CCOC(=O)CC[C@H](O)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000567708770 358576000 /nfs/dbraw/zinc/57/60/00/358576000.db2.gz WFBZDVUBYMHZKP-QWRGUYRKSA-N 2 2 281.356 0.561 20 0 CCADLP CCOC(=O)CC[C@H](O)C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000567708770 358576003 /nfs/dbraw/zinc/57/60/03/358576003.db2.gz WFBZDVUBYMHZKP-QWRGUYRKSA-N 2 2 281.356 0.561 20 0 CCADLP Cn1nnnc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000567890193 358607541 /nfs/dbraw/zinc/60/75/41/358607541.db2.gz ZGDHRRHEVJQGGZ-NSHDSACASA-N 2 2 250.350 0.032 20 0 CCADLP CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000568166539 358638831 /nfs/dbraw/zinc/63/88/31/358638831.db2.gz NBPXSFGFKIPEMO-VXGBXAGGSA-N 2 2 279.388 0.835 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000567764354 358583979 /nfs/dbraw/zinc/58/39/79/358583979.db2.gz ZWIDIDRDMSOFBW-JTQLQIEISA-N 2 2 256.375 0.599 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000567764354 358583982 /nfs/dbraw/zinc/58/39/82/358583982.db2.gz ZWIDIDRDMSOFBW-JTQLQIEISA-N 2 2 256.375 0.599 20 0 CCADLP COCC[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])c2cscn2)CC1 ZINC000567811377 358589526 /nfs/dbraw/zinc/58/95/26/358589526.db2.gz ASNKZALGDQHBGW-LBPRGKRZSA-N 2 2 298.412 0.324 20 0 CCADLP COCC[N@H+]1CCCN(C(=O)[C@@H]([NH3+])c2cscn2)CC1 ZINC000567811377 358589528 /nfs/dbraw/zinc/58/95/28/358589528.db2.gz ASNKZALGDQHBGW-LBPRGKRZSA-N 2 2 298.412 0.324 20 0 CCADLP CCN(C)C(=O)[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)CC)C(C)C ZINC000568177921 358642017 /nfs/dbraw/zinc/64/20/17/358642017.db2.gz CJCOLXQHJVNEHG-OLZOCXBDSA-N 2 2 273.421 0.392 20 0 CCADLP CCN(C)C(=O)[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)C(C)C ZINC000568177921 358642018 /nfs/dbraw/zinc/64/20/18/358642018.db2.gz CJCOLXQHJVNEHG-OLZOCXBDSA-N 2 2 273.421 0.392 20 0 CCADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000567826779 358595413 /nfs/dbraw/zinc/59/54/13/358595413.db2.gz PWZGQWBYDWZDQJ-AGIUHOORSA-N 2 2 297.399 0.115 20 0 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O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CC(n2cc[nH+]c2)C1 ZINC000569783270 358792479 /nfs/dbraw/zinc/79/24/79/358792479.db2.gz FXOUPOGPOMXNTG-ZDUSSCGKSA-N 2 2 260.341 0.893 20 0 CCADLP O=C([C@@H]1CCC[N@H+]1C1CC1)N1CC(n2cc[nH+]c2)C1 ZINC000569783270 358792482 /nfs/dbraw/zinc/79/24/82/358792482.db2.gz FXOUPOGPOMXNTG-ZDUSSCGKSA-N 2 2 260.341 0.893 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000569939074 358808269 /nfs/dbraw/zinc/80/82/69/358808269.db2.gz HYUSMTSNBYOTCI-JSGCOSHPSA-N 2 2 294.399 0.503 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000569939074 358808272 /nfs/dbraw/zinc/80/82/72/358808272.db2.gz HYUSMTSNBYOTCI-JSGCOSHPSA-N 2 2 294.399 0.503 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000569942307 358808317 /nfs/dbraw/zinc/80/83/17/358808317.db2.gz MPXCKVOGNUDAHM-MRXNPFEDSA-N 2 2 285.395 0.866 20 0 CCADLP O=C(NCC[NH+]1CCSCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000570165214 358829759 /nfs/dbraw/zinc/82/97/59/358829759.db2.gz 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ZINC000570689750 358885000 /nfs/dbraw/zinc/88/50/00/358885000.db2.gz UJPRFXWYMVHTAX-MCIONIFRSA-N 2 2 294.399 0.748 20 0 CCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)Cn2cc[nH+]c2)CC1 ZINC000570789811 358893942 /nfs/dbraw/zinc/89/39/42/358893942.db2.gz XGBPOMSKFCUMDF-AWEZNQCLSA-N 2 2 293.415 0.273 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000570794871 358895085 /nfs/dbraw/zinc/89/50/85/358895085.db2.gz IRGQIXUUGWBKCT-QMIVOQANSA-N 2 2 286.416 0.614 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000570794871 358895091 /nfs/dbraw/zinc/89/50/91/358895091.db2.gz IRGQIXUUGWBKCT-QMIVOQANSA-N 2 2 286.416 0.614 20 0 CCADLP O=c1c2ccccc2ncn1CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000571088474 358910649 /nfs/dbraw/zinc/91/06/49/358910649.db2.gz VGSXMOCLNXCULT-BETUJISGSA-N 2 2 284.363 0.548 20 0 CCADLP O=c1c2ccccc2ncn1CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000571088474 358910656 /nfs/dbraw/zinc/91/06/56/358910656.db2.gz VGSXMOCLNXCULT-BETUJISGSA-N 2 2 284.363 0.548 20 0 CCADLP COc1nccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)n1 ZINC000573564405 358979213 /nfs/dbraw/zinc/97/92/13/358979213.db2.gz HTCNHMHZCDXHEW-BFHYXJOUSA-N 2 2 292.383 0.732 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000573277383 358954228 /nfs/dbraw/zinc/95/42/28/358954228.db2.gz RICKYQPHRSLJOY-OAHLLOKOSA-N 2 2 276.384 0.907 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000573277383 358954232 /nfs/dbraw/zinc/95/42/32/358954232.db2.gz RICKYQPHRSLJOY-OAHLLOKOSA-N 2 2 276.384 0.907 20 0 CCADLP C[C@@H](Cc1ccsc1)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000562803277 291168287 /nfs/dbraw/zinc/16/82/87/291168287.db2.gz QMSCMZGGOVSCGS-AAEUAGOBSA-N 2 2 296.440 0.963 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000573892889 359008972 /nfs/dbraw/zinc/00/89/72/359008972.db2.gz VMTCABJSGXYCTI-CYBMUJFWSA-N 2 2 280.372 0.236 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000573892889 359008974 /nfs/dbraw/zinc/00/89/74/359008974.db2.gz VMTCABJSGXYCTI-CYBMUJFWSA-N 2 2 280.372 0.236 20 0 CCADLP COCC[N@H+](C)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000579856624 359057279 /nfs/dbraw/zinc/05/72/79/359057279.db2.gz RQYNYBSZTGGYSF-NSHDSACASA-N 2 2 268.361 0.283 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000579856624 359057283 /nfs/dbraw/zinc/05/72/83/359057283.db2.gz RQYNYBSZTGGYSF-NSHDSACASA-N 2 2 268.361 0.283 20 0 CCADLP COCC[N@H+](C)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000579856624 359057287 /nfs/dbraw/zinc/05/72/87/359057287.db2.gz RQYNYBSZTGGYSF-NSHDSACASA-N 2 2 268.361 0.283 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC000579856624 359057291 /nfs/dbraw/zinc/05/72/91/359057291.db2.gz RQYNYBSZTGGYSF-NSHDSACASA-N 2 2 268.361 0.283 20 0 CCADLP CC[C@@]1(CO)CCC[N@@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000582309170 359134110 /nfs/dbraw/zinc/13/41/10/359134110.db2.gz QMAJBGARVNQIDI-KBPBESRZSA-N 2 2 274.405 0.162 20 0 CCADLP CC[C@@]1(CO)CCC[N@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000582309170 359134113 /nfs/dbraw/zinc/13/41/13/359134113.db2.gz QMAJBGARVNQIDI-KBPBESRZSA-N 2 2 274.405 0.162 20 0 CCADLP CC[C@@]1(CO)CCC[NH+]1C[C@@H](O)C[N@H+](C)CCOC ZINC000582309170 359134117 /nfs/dbraw/zinc/13/41/17/359134117.db2.gz QMAJBGARVNQIDI-KBPBESRZSA-N 2 2 274.405 0.162 20 0 CCADLP CC[C@@]1(CO)CCC[NH+]1C[C@@H](O)C[N@@H+](C)CCOC ZINC000582309170 359134120 /nfs/dbraw/zinc/13/41/20/359134120.db2.gz QMAJBGARVNQIDI-KBPBESRZSA-N 2 2 274.405 0.162 20 0 CCADLP COc1cccc(OCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000583629962 359157059 /nfs/dbraw/zinc/15/70/59/359157059.db2.gz XTOKIUFGTKIHSA-GFCCVEGCSA-N 2 2 293.367 0.175 20 0 CCADLP COc1cccc(OCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000583629962 359157064 /nfs/dbraw/zinc/15/70/64/359157064.db2.gz XTOKIUFGTKIHSA-GFCCVEGCSA-N 2 2 293.367 0.175 20 0 CCADLP CSC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000585718335 359266244 /nfs/dbraw/zinc/26/62/44/359266244.db2.gz CYUWVETXTLGHFB-KGLIPLIRSA-N 2 2 288.457 0.897 20 0 CCADLP CSC[C@@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000585718335 359266247 /nfs/dbraw/zinc/26/62/47/359266247.db2.gz CYUWVETXTLGHFB-KGLIPLIRSA-N 2 2 288.457 0.897 20 0 CCADLP C[NH+](C)CC1CC[NH+](Cc2nnnn2C2CC2)CC1 ZINC000590125597 359426498 /nfs/dbraw/zinc/42/64/98/359426498.db2.gz BTMHAPBXEOPUKC-UHFFFAOYSA-N 2 2 264.377 0.782 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)/C=C\C[NH+](C)C ZINC000492183167 237096540 /nfs/dbraw/zinc/09/65/40/237096540.db2.gz QJRIWYROWJSMOT-XQRVVYSFSA-N 2 2 250.346 0.849 20 0 CCADLP C[C@H](CNC(=O)CCCn1cc[nH+]c1)N1CC[NH+](C)CC1 ZINC000591642825 359624176 /nfs/dbraw/zinc/62/41/76/359624176.db2.gz SDNNHORLQWHDPU-CQSZACIVSA-N 2 2 293.415 0.415 20 0 CCADLP COCC[N@H+](C)CCNC(=O)CCCn1cc[nH+]c1 ZINC000591643379 359624474 /nfs/dbraw/zinc/62/44/74/359624474.db2.gz AJAHWLWKIVOPBF-UHFFFAOYSA-N 2 2 268.361 0.358 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)CCCn1cc[nH+]c1 ZINC000591643379 359624478 /nfs/dbraw/zinc/62/44/78/359624478.db2.gz AJAHWLWKIVOPBF-UHFFFAOYSA-N 2 2 268.361 0.358 20 0 CCADLP O=C(C[NH2+]C[C@@H]1CCCO1)NCCNc1cccc[nH+]1 ZINC000563065433 291187480 /nfs/dbraw/zinc/18/74/80/291187480.db2.gz VOMIBZYQDLFRCM-LBPRGKRZSA-N 2 2 278.356 0.378 20 0 CCADLP C[NH+](C)[C@@]1(CNC(=O)C=Cc2c[nH]c[nH+]2)CCSC1 ZINC000492768125 237289978 /nfs/dbraw/zinc/28/99/78/237289978.db2.gz OKMPMSIITBMVQO-DHCBQETCSA-N 2 2 280.397 0.976 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000297234653 200121586 /nfs/dbraw/zinc/12/15/86/200121586.db2.gz NKLGVYWOHRHOMI-ZDUSSCGKSA-N 2 2 274.324 0.281 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000297234653 200121588 /nfs/dbraw/zinc/12/15/88/200121588.db2.gz NKLGVYWOHRHOMI-ZDUSSCGKSA-N 2 2 274.324 0.281 20 0 CCADLP CC[NH+](CC)CCC[N@H+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000592202365 359791778 /nfs/dbraw/zinc/79/17/78/359791778.db2.gz FIVSJOUURQDFTG-OLZOCXBDSA-N 2 2 272.389 0.574 20 0 CCADLP CC[NH+](CC)CCC[N@@H+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000592202365 359791781 /nfs/dbraw/zinc/79/17/81/359791781.db2.gz FIVSJOUURQDFTG-OLZOCXBDSA-N 2 2 272.389 0.574 20 0 CCADLP C[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)c1[nH+]ccn1C ZINC000620612636 366546678 /nfs/dbraw/zinc/54/66/78/366546678.db2.gz ZVCQKCFWNNAJKC-NSHDSACASA-N 2 2 290.371 0.669 20 0 CCADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC(=O)NCC(C)C)CC[C@@H]1[NH3+] ZINC000592487946 359854374 /nfs/dbraw/zinc/85/43/74/359854374.db2.gz DICCTSBVQBITPG-UPJWGTAASA-N 2 2 298.431 0.916 20 0 CCADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)NC(=O)NCC(C)C)CC[C@@H]1[NH3+] ZINC000592487946 359854379 /nfs/dbraw/zinc/85/43/79/359854379.db2.gz DICCTSBVQBITPG-UPJWGTAASA-N 2 2 298.431 0.916 20 0 CCADLP C[C@H]([NH2+]Cc1nnnn1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329459138 202347575 /nfs/dbraw/zinc/34/75/75/202347575.db2.gz RIRONDYCCHQHPJ-RYUDHWBXSA-N 2 2 278.404 0.953 20 0 CCADLP C[C@H]([NH2+]Cc1nnnn1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000329459138 202347578 /nfs/dbraw/zinc/34/75/78/202347578.db2.gz RIRONDYCCHQHPJ-RYUDHWBXSA-N 2 2 278.404 0.953 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)C[C@@H]1C ZINC000592565932 359891995 /nfs/dbraw/zinc/89/19/95/359891995.db2.gz DEMWQIBUCCFAPJ-AAEUAGOBSA-N 2 2 297.399 0.080 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)C[C@@H]1C ZINC000592565932 359891997 /nfs/dbraw/zinc/89/19/97/359891997.db2.gz DEMWQIBUCCFAPJ-AAEUAGOBSA-N 2 2 297.399 0.080 20 0 CCADLP C[NH2+]C[C@@](C)(O)CN(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000563268897 291211073 /nfs/dbraw/zinc/21/10/73/291211073.db2.gz NZPYFBFAKXHNOD-LLVKDONJSA-N 2 2 294.321 0.848 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000416436523 296008769 /nfs/dbraw/zinc/00/87/69/296008769.db2.gz IZHROMLLHFWDIE-JSGCOSHPSA-N 2 2 279.388 0.961 20 0 CCADLP CC(C)OC(=O)CCCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593906685 360202851 /nfs/dbraw/zinc/20/28/51/360202851.db2.gz LFFJLDQDLDJLRY-LLVKDONJSA-N 2 2 273.377 0.113 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)N2CC(Oc3cc[nH+]cc3)C2)C1 ZINC000594171225 360254430 /nfs/dbraw/zinc/25/44/30/360254430.db2.gz YNFDJZOXYGBWBX-NSHDSACASA-N 2 2 261.325 0.623 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)N2CC(Oc3cc[nH+]cc3)C2)C1 ZINC000594171225 360254433 /nfs/dbraw/zinc/25/44/33/360254433.db2.gz YNFDJZOXYGBWBX-NSHDSACASA-N 2 2 261.325 0.623 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000594171194 360254788 /nfs/dbraw/zinc/25/47/88/360254788.db2.gz XHUKHHUSQRZLAL-UHFFFAOYSA-N 2 2 272.308 0.958 20 0 CCADLP Cc1c(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cnn1C ZINC000177114285 189030278 /nfs/dbraw/zinc/03/02/78/189030278.db2.gz UQIHSGXNGKLSAX-UHFFFAOYSA-N 2 2 293.415 0.484 20 0 CCADLP CSC[C@@H](CCO)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000594495177 360323586 /nfs/dbraw/zinc/32/35/86/360323586.db2.gz MYUIOPKVLFIRTQ-ZIAGYGMSSA-N 2 2 288.457 0.943 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1C[C@@H]1C(=O)OC ZINC000594927023 360418216 /nfs/dbraw/zinc/41/82/16/360418216.db2.gz QVOLWCLLQYYKTE-MQYQWHSLSA-N 2 2 284.400 0.884 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1C[C@@H]1C(=O)OC ZINC000594927023 360418218 /nfs/dbraw/zinc/41/82/18/360418218.db2.gz QVOLWCLLQYYKTE-MQYQWHSLSA-N 2 2 284.400 0.884 20 0 CCADLP [NH3+]C[C@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)C(F)(F)F ZINC000655924063 412700963 /nfs/dbraw/zinc/70/09/63/412700963.db2.gz FCKMWUPVQRVBBK-SFYZADRCSA-N 2 2 291.277 0.387 20 0 CCADLP COC(=O)[C@H]1C[C@@H]([N@H+](C)C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000595855984 360678968 /nfs/dbraw/zinc/67/89/68/360678968.db2.gz IXXYZOHWDBFBRW-KGYLQXTDSA-N 2 2 270.373 0.325 20 0 CCADLP COC(=O)[C@H]1C[C@@H]([N@@H+](C)C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000595855984 360678972 /nfs/dbraw/zinc/67/89/72/360678972.db2.gz IXXYZOHWDBFBRW-KGYLQXTDSA-N 2 2 270.373 0.325 20 0 CCADLP COC(=O)[C@H]1C[C@@H]([NH+](C)C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000595855984 360678977 /nfs/dbraw/zinc/67/89/77/360678977.db2.gz IXXYZOHWDBFBRW-KGYLQXTDSA-N 2 2 270.373 0.325 20 0 CCADLP COC(=O)[C@H]1C[C@@H]([NH+](C)C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000595855984 360678982 /nfs/dbraw/zinc/67/89/82/360678982.db2.gz IXXYZOHWDBFBRW-KGYLQXTDSA-N 2 2 270.373 0.325 20 0 CCADLP COC(=O)CCN1CCC[C@@H]([NH2+]CC2([NH3+])CCC2)C1=O ZINC000595887507 360690565 /nfs/dbraw/zinc/69/05/65/360690565.db2.gz DKINDKLPWUTLCT-LLVKDONJSA-N 2 2 283.372 0.012 20 0 CCADLP CCOC(=O)C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000595892215 360691723 /nfs/dbraw/zinc/69/17/23/360691723.db2.gz MHVYMZLZIGUIAY-LBPRGKRZSA-N 2 2 268.357 0.535 20 0 CCADLP CCOC(=O)C[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000595892215 360691727 /nfs/dbraw/zinc/69/17/27/360691727.db2.gz MHVYMZLZIGUIAY-LBPRGKRZSA-N 2 2 268.357 0.535 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000595932040 360709934 /nfs/dbraw/zinc/70/99/34/360709934.db2.gz MIPAGDDHWXUWQA-NEPJUHHUSA-N 2 2 285.388 0.080 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000595932040 360709936 /nfs/dbraw/zinc/70/99/36/360709936.db2.gz MIPAGDDHWXUWQA-NEPJUHHUSA-N 2 2 285.388 0.080 20 0 CCADLP C[NH2+]C[C@@H]1CCN(C(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000178964217 189157924 /nfs/dbraw/zinc/15/79/24/189157924.db2.gz POYMXDBAVIDRSF-LBPRGKRZSA-N 2 2 272.352 0.945 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]C2CCSCC2)C[C@@H](C)O1 ZINC000563881025 291255823 /nfs/dbraw/zinc/25/58/23/291255823.db2.gz ASOFPHSXUHUZON-BZPMIXESSA-N 2 2 288.457 0.942 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000597977421 361296996 /nfs/dbraw/zinc/29/69/96/361296996.db2.gz KFEKCLKVMHTNEP-GFCCVEGCSA-N 2 2 286.401 0.459 20 0 CCADLP CCS(=O)(=O)NCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000597977421 361296998 /nfs/dbraw/zinc/29/69/98/361296998.db2.gz KFEKCLKVMHTNEP-GFCCVEGCSA-N 2 2 286.401 0.459 20 0 CCADLP CCCn1nccc1NC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000631820866 370685725 /nfs/dbraw/zinc/68/57/25/370685725.db2.gz IUCYBKSPCODOIG-LLVKDONJSA-N 2 2 265.361 0.512 20 0 CCADLP CCCn1nccc1NC(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000631820866 370685732 /nfs/dbraw/zinc/68/57/32/370685732.db2.gz IUCYBKSPCODOIG-LLVKDONJSA-N 2 2 265.361 0.512 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000564209387 291269987 /nfs/dbraw/zinc/26/99/87/291269987.db2.gz UFMGIGDDTBSRLI-SNVBAGLBSA-N 2 2 274.328 0.375 20 0 CCADLP C[C@@H](CNc1nc(N(C)C)cc[nH+]1)C[NH+]1CCOCC1 ZINC000301797519 201203086 /nfs/dbraw/zinc/20/30/86/201203086.db2.gz ZBHNMDMZFBLWHU-LBPRGKRZSA-N 2 2 279.388 0.923 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000599301410 361641342 /nfs/dbraw/zinc/64/13/42/361641342.db2.gz UYIYXHLKAKKFKM-GJZGRUSLSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH+]1CCOCC1 ZINC000599301410 361641345 /nfs/dbraw/zinc/64/13/45/361641345.db2.gz UYIYXHLKAKKFKM-GJZGRUSLSA-N 2 2 297.443 0.944 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000599389067 361681278 /nfs/dbraw/zinc/68/12/78/361681278.db2.gz BGFAIMFIYPYXCS-CABCVRRESA-N 2 2 295.427 0.794 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000599389067 361681279 /nfs/dbraw/zinc/68/12/79/361681279.db2.gz BGFAIMFIYPYXCS-CABCVRRESA-N 2 2 295.427 0.794 20 0 CCADLP NC(=O)c1c[nH+]ccc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000302006250 201294000 /nfs/dbraw/zinc/29/40/00/201294000.db2.gz AEXOKKCIZUBQJP-LBPRGKRZSA-N 2 2 290.367 0.339 20 0 CCADLP [NH3+]CC[N@H+](C[C@H](O)CO)C[C@H]1CCC(F)(F)C1 ZINC000631829235 370696704 /nfs/dbraw/zinc/69/67/04/370696704.db2.gz LKMQLKVBATZRBK-UWVGGRQHSA-N 2 2 252.305 0.036 20 0 CCADLP [NH3+]CC[N@@H+](C[C@H](O)CO)C[C@H]1CCC(F)(F)C1 ZINC000631829235 370696710 /nfs/dbraw/zinc/69/67/10/370696710.db2.gz LKMQLKVBATZRBK-UWVGGRQHSA-N 2 2 252.305 0.036 20 0 CCADLP CC(C)[NH+]1CCC(C(=O)NCC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000564710991 291294914 /nfs/dbraw/zinc/29/49/14/291294914.db2.gz RDJWOFCMWKSBRM-CQSZACIVSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[NH+]1CCC(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000564710991 291294912 /nfs/dbraw/zinc/29/49/12/291294912.db2.gz RDJWOFCMWKSBRM-CQSZACIVSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@]1(NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC[NH2+]C1 ZINC000612909166 364042802 /nfs/dbraw/zinc/04/28/02/364042802.db2.gz KHZYDJOOFGLPGV-ZANVPECISA-N 2 2 263.345 0.318 20 0 CCADLP C[C@]1(NC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC[NH2+]C1 ZINC000612909166 364042805 /nfs/dbraw/zinc/04/28/05/364042805.db2.gz KHZYDJOOFGLPGV-ZANVPECISA-N 2 2 263.345 0.318 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612970271 364058346 /nfs/dbraw/zinc/05/83/46/364058346.db2.gz LHMSBFPSWPOZJO-STQMWFEESA-N 2 2 296.415 0.148 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612970271 364058350 /nfs/dbraw/zinc/05/83/50/364058350.db2.gz LHMSBFPSWPOZJO-STQMWFEESA-N 2 2 296.415 0.148 20 0 CCADLP CC1(C)NC(=O)N(CCC[N@@H+]2CCCCC[C@H]([NH3+])C2)C1=O ZINC000631832258 370698973 /nfs/dbraw/zinc/69/89/73/370698973.db2.gz CCAYAAUHXRHIOL-LBPRGKRZSA-N 2 2 296.415 0.910 20 0 CCADLP CC1(C)NC(=O)N(CCC[N@H+]2CCCCC[C@H]([NH3+])C2)C1=O ZINC000631832258 370698976 /nfs/dbraw/zinc/69/89/76/370698976.db2.gz CCAYAAUHXRHIOL-LBPRGKRZSA-N 2 2 296.415 0.910 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCOc1ccc(S(N)(=O)=O)cc1 ZINC000631858461 370719617 /nfs/dbraw/zinc/71/96/17/370719617.db2.gz YXGAMKFGKVEJNW-MNOVXSKESA-N 2 2 299.396 0.134 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCOc1ccc(S(N)(=O)=O)cc1 ZINC000631858461 370719621 /nfs/dbraw/zinc/71/96/21/370719621.db2.gz YXGAMKFGKVEJNW-MNOVXSKESA-N 2 2 299.396 0.134 20 0 CCADLP CCC(CC)NC(=O)[C@@H](C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631863631 370723024 /nfs/dbraw/zinc/72/30/24/370723024.db2.gz CEFQKPNVRDDHAL-GFCCVEGCSA-N 2 2 285.432 0.726 20 0 CCADLP C[C@H](C(=O)N1CCCCC1)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631863130 370723836 /nfs/dbraw/zinc/72/38/36/370723836.db2.gz RMYMXUIABDTZES-CYBMUJFWSA-N 2 2 283.416 0.434 20 0 CCADLP O=C1[C@H]([NH+]2CCC([NH2+]CCO)CC2)CCN1C1CCC1 ZINC000631863079 370724017 /nfs/dbraw/zinc/72/40/17/370724017.db2.gz XHXIRVWPUCPTTQ-CQSZACIVSA-N 2 2 281.400 0.186 20 0 CCADLP C[C@H]1CN(S(=O)(=O)CC2([NH+](C)C)CC2)[C@@H](C)C[NH2+]1 ZINC000631929813 370764313 /nfs/dbraw/zinc/76/43/13/370764313.db2.gz OUCFJAXHFKNLGO-QWRGUYRKSA-N 2 2 275.418 0.093 20 0 CCADLP COCCCCC[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000564848507 291306580 /nfs/dbraw/zinc/30/65/80/291306580.db2.gz XTVWTVSEDLEQIE-QLFBSQMISA-N 2 2 288.432 0.863 20 0 CCADLP COCCCCC[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000564848507 291306583 /nfs/dbraw/zinc/30/65/83/291306583.db2.gz XTVWTVSEDLEQIE-QLFBSQMISA-N 2 2 288.432 0.863 20 0 CCADLP C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4[nH+]c[nH]c4C3)C[C@H]2C1 ZINC000614123362 364509296 /nfs/dbraw/zinc/50/92/96/364509296.db2.gz CRYGOUMOXIGBKL-SDDRHHMPSA-N 2 2 274.368 0.535 20 0 CCADLP C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4[nH+]c[nH]c4C3)C[C@H]2C1 ZINC000614123362 364509297 /nfs/dbraw/zinc/50/92/97/364509297.db2.gz CRYGOUMOXIGBKL-SDDRHHMPSA-N 2 2 274.368 0.535 20 0 CCADLP C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4[nH]c[nH+]c4C3)C[C@H]2C1 ZINC000614123362 364509298 /nfs/dbraw/zinc/50/92/98/364509298.db2.gz CRYGOUMOXIGBKL-SDDRHHMPSA-N 2 2 274.368 0.535 20 0 CCADLP C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4[nH]c[nH+]c4C3)C[C@H]2C1 ZINC000614123362 364509299 /nfs/dbraw/zinc/50/92/99/364509299.db2.gz CRYGOUMOXIGBKL-SDDRHHMPSA-N 2 2 274.368 0.535 20 0 CCADLP C[NH2+]CCC[NH2+][C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000621776341 366863464 /nfs/dbraw/zinc/86/34/64/366863464.db2.gz JGYYEFPQULBDGR-ZDUSSCGKSA-N 2 2 268.382 0.855 20 0 CCADLP CC1(C)NC(=O)N(CC[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)C1=O ZINC000621780464 366864791 /nfs/dbraw/zinc/86/47/91/366864791.db2.gz RQTRDCLJBMBOOW-YGRLFVJLSA-N 2 2 280.372 0.130 20 0 CCADLP CC1(C)NC(=O)N(CC[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)C1=O ZINC000621780464 366864795 /nfs/dbraw/zinc/86/47/95/366864795.db2.gz RQTRDCLJBMBOOW-YGRLFVJLSA-N 2 2 280.372 0.130 20 0 CCADLP CC(=O)N1CC[C@@H]([NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)C1 ZINC000621742270 366857462 /nfs/dbraw/zinc/85/74/62/366857462.db2.gz LGVYJAKPPLOHQR-ZKYQVNSYSA-N 2 2 251.374 0.680 20 0 CCADLP CC(=O)N1CC[C@@H]([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1 ZINC000621742270 366857466 /nfs/dbraw/zinc/85/74/66/366857466.db2.gz LGVYJAKPPLOHQR-ZKYQVNSYSA-N 2 2 251.374 0.680 20 0 CCADLP [NH3+][C@]12CCC[C@H]1C[N@H+](CCOC[C@@H]1CCCO1)C2 ZINC000621783228 366866747 /nfs/dbraw/zinc/86/67/47/366866747.db2.gz YWXOHGWTCIKPRE-IHRRRGAJSA-N 2 2 254.374 0.995 20 0 CCADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCOC[C@@H]1CCCO1)C2 ZINC000621783228 366866751 /nfs/dbraw/zinc/86/67/51/366866751.db2.gz YWXOHGWTCIKPRE-IHRRRGAJSA-N 2 2 254.374 0.995 20 0 CCADLP C[C@H](C[NH3+])C(=O)NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cnn(C)c1 ZINC000564937139 291320311 /nfs/dbraw/zinc/32/03/11/291320311.db2.gz KPPBSIWAJBXWPO-WXHSDQCUSA-N 2 2 297.378 0.044 20 0 CCADLP C[C@H](C[NH3+])C(=O)NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cnn(C)c1 ZINC000564937139 291320313 /nfs/dbraw/zinc/32/03/13/291320313.db2.gz KPPBSIWAJBXWPO-WXHSDQCUSA-N 2 2 297.378 0.044 20 0 CCADLP C[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ncon2)C1)[NH+](C)C ZINC000614664565 364696447 /nfs/dbraw/zinc/69/64/47/364696447.db2.gz VWOGOIORWCRXAL-RYUDHWBXSA-N 2 2 295.387 0.348 20 0 CCADLP C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1)[NH+](C)C ZINC000614664565 364696450 /nfs/dbraw/zinc/69/64/50/364696450.db2.gz VWOGOIORWCRXAL-RYUDHWBXSA-N 2 2 295.387 0.348 20 0 CCADLP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000615303880 364913134 /nfs/dbraw/zinc/91/31/34/364913134.db2.gz VHKWWZGGWQHCHT-BZPMIXESSA-N 2 2 276.384 0.997 20 0 CCADLP Cc1cc[nH+]c(N2CC[NH+](C[C@@H]3CN(C)C(=O)O3)CC2)c1 ZINC000496441020 240069629 /nfs/dbraw/zinc/06/96/29/240069629.db2.gz ZTXUGEPRRBMUAK-ZDUSSCGKSA-N 2 2 290.367 0.963 20 0 CCADLP C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)Cn1cc[nH+]c1 ZINC000615262594 364897236 /nfs/dbraw/zinc/89/72/36/364897236.db2.gz GRHHJVXATBPKMT-OLZOCXBDSA-N 2 2 278.356 0.205 20 0 CCADLP C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)Cn1cc[nH+]c1 ZINC000615262594 364897243 /nfs/dbraw/zinc/89/72/43/364897243.db2.gz GRHHJVXATBPKMT-OLZOCXBDSA-N 2 2 278.356 0.205 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000615315829 364918624 /nfs/dbraw/zinc/91/86/24/364918624.db2.gz UTSQTBFKYWJLNT-JHJVBQTASA-N 2 2 269.389 0.258 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000615315829 364918629 /nfs/dbraw/zinc/91/86/29/364918629.db2.gz UTSQTBFKYWJLNT-JHJVBQTASA-N 2 2 269.389 0.258 20 0 CCADLP CCS(=O)(=O)NCCC[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621784472 366867592 /nfs/dbraw/zinc/86/75/92/366867592.db2.gz PMKPJWPWXHAAIB-VXGBXAGGSA-N 2 2 275.418 0.129 20 0 CCADLP CCS(=O)(=O)NCCC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621784472 366867595 /nfs/dbraw/zinc/86/75/95/366867595.db2.gz PMKPJWPWXHAAIB-VXGBXAGGSA-N 2 2 275.418 0.129 20 0 CCADLP C[C@@H](CC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)n1cc[nH+]c1 ZINC000565151322 291347602 /nfs/dbraw/zinc/34/76/02/291347602.db2.gz LFJANYQQOFRNEU-UONOGXRCSA-N 2 2 291.399 0.340 20 0 CCADLP COCC[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000616407669 365309509 /nfs/dbraw/zinc/30/95/09/365309509.db2.gz CWYGMWBODILBMA-LBPRGKRZSA-N 2 2 280.372 0.488 20 0 CCADLP COCC[N@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000616407669 365309516 /nfs/dbraw/zinc/30/95/16/365309516.db2.gz CWYGMWBODILBMA-LBPRGKRZSA-N 2 2 280.372 0.488 20 0 CCADLP COCC(C)(C)[NH+]1CCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC000616415821 365314286 /nfs/dbraw/zinc/31/42/86/365314286.db2.gz KQSKETVMMHGASI-UHFFFAOYSA-N 2 2 283.416 0.650 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621785089 366867807 /nfs/dbraw/zinc/86/78/07/366867807.db2.gz ZFLBBLNMBLKNOV-LUKYLMHMSA-N 3 2 289.423 0.731 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621785089 366867808 /nfs/dbraw/zinc/86/78/08/366867808.db2.gz ZFLBBLNMBLKNOV-LUKYLMHMSA-N 3 2 289.423 0.731 20 0 CCADLP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCN1C[C@H]3CC[C@@H](C1)O3)C2 ZINC000621784776 366867884 /nfs/dbraw/zinc/86/78/84/366867884.db2.gz UZRDAFDJIJGSAC-APIJFGDWSA-N 2 2 265.401 0.663 20 0 CCADLP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCN1C[C@H]3CC[C@@H](C1)O3)C2 ZINC000621784776 366867887 /nfs/dbraw/zinc/86/78/87/366867887.db2.gz UZRDAFDJIJGSAC-APIJFGDWSA-N 2 2 265.401 0.663 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000275621617 193089137 /nfs/dbraw/zinc/08/91/37/193089137.db2.gz MIUAOHLEFIONKR-NSHDSACASA-N 2 2 288.355 0.769 20 0 CCADLP Cn1cc[nH+]c1[C@@H](NC(=O)C[NH+](C)C)C(C)(C)CO ZINC000616868443 365466748 /nfs/dbraw/zinc/46/67/48/365466748.db2.gz NXOKVPUXSIDNAV-LLVKDONJSA-N 2 2 268.361 0.158 20 0 CCADLP C[C@H](C(=O)NC[C@H](C)Cn1cc[nH+]c1)[NH+]1CC(C)C1 ZINC000565189115 291355130 /nfs/dbraw/zinc/35/51/30/291355130.db2.gz LYLIXERSUBUEAF-WCQYABFASA-N 2 2 264.373 0.976 20 0 CCADLP C[NH+]1CCN(C(=O)c2conc2C(C)(C)[NH3+])CC1 ZINC000565215850 291361857 /nfs/dbraw/zinc/36/18/57/291361857.db2.gz VKMZYIGCNWRCMX-UHFFFAOYSA-N 2 2 252.318 0.256 20 0 CCADLP COc1c(N)[nH+]cnc1NCC[NH+]1CCC(OC)CC1 ZINC000656138963 412748161 /nfs/dbraw/zinc/74/81/61/412748161.db2.gz NQMLUWSSGLBWQQ-UHFFFAOYSA-N 2 2 281.360 0.590 20 0 CCADLP COCC[NH+]1CCC([NH2+]Cc2cnc(C)n2C)CC1 ZINC000565239137 291365500 /nfs/dbraw/zinc/36/55/00/291365500.db2.gz ULXMRGRBGYRRHS-UHFFFAOYSA-N 2 2 266.389 0.929 20 0 CCADLP C[NH+](C)C1(CS(=O)(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CC1 ZINC000632034181 370841028 /nfs/dbraw/zinc/84/10/28/370841028.db2.gz NGSSSQBVDQILSA-CYBMUJFWSA-N 2 2 299.440 0.357 20 0 CCADLP C/C=C\C[C@H](CO)[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000566232629 291380678 /nfs/dbraw/zinc/38/06/78/291380678.db2.gz BISWKPQBVXPNCR-PBOVYGQLSA-N 2 2 286.416 0.373 20 0 CCADLP C/C=C\C[C@H](CO)[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000566232629 291380681 /nfs/dbraw/zinc/38/06/81/291380681.db2.gz BISWKPQBVXPNCR-PBOVYGQLSA-N 2 2 286.416 0.373 20 0 CCADLP COC[C@]1(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCC[NH2+]1 ZINC000623178372 367466313 /nfs/dbraw/zinc/46/63/13/367466313.db2.gz NXSWGFROGKSTSP-IUODEOHRSA-N 2 2 292.383 0.330 20 0 CCADLP CC[N@H+](CC(=O)N[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000623308281 367528922 /nfs/dbraw/zinc/52/89/22/367528922.db2.gz YMZRHFZNJYPDLH-LLVKDONJSA-N 2 2 262.357 0.798 20 0 CCADLP CC[N@@H+](CC(=O)N[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000623308281 367528926 /nfs/dbraw/zinc/52/89/26/367528926.db2.gz YMZRHFZNJYPDLH-LLVKDONJSA-N 2 2 262.357 0.798 20 0 CCADLP C[NH+](C)CCCCC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623266368 367503789 /nfs/dbraw/zinc/50/37/89/367503789.db2.gz YWZWRXOWYKPUMG-LLVKDONJSA-N 2 2 250.346 0.656 20 0 CCADLP CCc1nn(C)cc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000623618717 367605729 /nfs/dbraw/zinc/60/57/29/367605729.db2.gz ASKQLEVRKYHRKQ-AWEZNQCLSA-N 2 2 293.415 0.412 20 0 CCADLP CCc1nn(C)cc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000623618717 367605737 /nfs/dbraw/zinc/60/57/37/367605737.db2.gz ASKQLEVRKYHRKQ-AWEZNQCLSA-N 2 2 293.415 0.412 20 0 CCADLP CC[C@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CO1 ZINC000623620413 367608008 /nfs/dbraw/zinc/60/80/08/367608008.db2.gz PDRZAGJEIZUUMO-AVGNSLFASA-N 2 2 269.389 0.483 20 0 CCADLP CC[C@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CO1 ZINC000623620413 367608013 /nfs/dbraw/zinc/60/80/13/367608013.db2.gz PDRZAGJEIZUUMO-AVGNSLFASA-N 2 2 269.389 0.483 20 0 CCADLP COC(=O)CCC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000566306551 291392872 /nfs/dbraw/zinc/39/28/72/291392872.db2.gz SELNKYGZDIFSFE-UHFFFAOYSA-N 2 2 284.400 0.766 20 0 CCADLP CN(C)c1cc[nH+]cc1CNCC[N@@H+]1CC[C@@H](O)C1 ZINC000623758951 367647296 /nfs/dbraw/zinc/64/72/96/367647296.db2.gz UGMLZTTUPUNVPH-CYBMUJFWSA-N 2 2 264.373 0.304 20 0 CCADLP CN(C)c1cc[nH+]cc1CNCC[N@H+]1CC[C@@H](O)C1 ZINC000623758951 367647302 /nfs/dbraw/zinc/64/73/02/367647302.db2.gz UGMLZTTUPUNVPH-CYBMUJFWSA-N 2 2 264.373 0.304 20 0 CCADLP CN(C)c1cc[nH+]cc1C[NH2+]CCN1CC[C@@H](O)C1 ZINC000623758951 367647307 /nfs/dbraw/zinc/64/73/07/367647307.db2.gz UGMLZTTUPUNVPH-CYBMUJFWSA-N 2 2 264.373 0.304 20 0 CCADLP O[C@@H]1CC[N@H+](CC[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000623759291 367648895 /nfs/dbraw/zinc/64/88/95/367648895.db2.gz GNXJDGLOKVMAAV-CYBMUJFWSA-N 2 2 296.440 0.768 20 0 CCADLP O[C@@H]1CC[N@@H+](CC[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000623759291 367648898 /nfs/dbraw/zinc/64/88/98/367648898.db2.gz GNXJDGLOKVMAAV-CYBMUJFWSA-N 2 2 296.440 0.768 20 0 CCADLP CCCNC(=O)C[N@H+](CCC)C[C@](C)(O)C[NH2+]C ZINC000566350908 291396853 /nfs/dbraw/zinc/39/68/53/291396853.db2.gz CSZBDMHPMMWTOB-CYBMUJFWSA-N 2 2 259.394 0.195 20 0 CCADLP CCCNC(=O)C[N@@H+](CCC)C[C@](C)(O)C[NH2+]C ZINC000566350908 291396854 /nfs/dbraw/zinc/39/68/54/291396854.db2.gz CSZBDMHPMMWTOB-CYBMUJFWSA-N 2 2 259.394 0.195 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+][C@H](CO)c2ccnn2C)[C@H](C)C1 ZINC000624017689 367727419 /nfs/dbraw/zinc/72/74/19/367727419.db2.gz CRSMCZXVUUSKGC-FRRDWIJNSA-N 2 2 266.389 0.773 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+][C@H](CO)c2ccnn2C)[C@H](C)C1 ZINC000624017689 367727423 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CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2cn[nH]c2)C1 ZINC000624212255 367792127 /nfs/dbraw/zinc/79/21/27/367792127.db2.gz YUPCGRGDUZIWOI-CYBMUJFWSA-N 2 2 252.362 0.856 20 0 CCADLP CCN(CC)C(=O)C[C@H](C)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624332969 367836457 /nfs/dbraw/zinc/83/64/57/367836457.db2.gz DSSIQDPXJPRANN-STQMWFEESA-N 2 2 271.405 0.290 20 0 CCADLP CCN(CC)C(=O)C[C@H](C)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624332969 367836458 /nfs/dbraw/zinc/83/64/58/367836458.db2.gz DSSIQDPXJPRANN-STQMWFEESA-N 2 2 271.405 0.290 20 0 CCADLP C[C@H](CC1CCOCC1)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624335519 367836515 /nfs/dbraw/zinc/83/65/15/367836515.db2.gz UHJPTLSDTFYTRY-OCCSQVGLSA-N 2 2 256.390 0.848 20 0 CCADLP C[C@H](CC1CCOCC1)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624335519 367836519 /nfs/dbraw/zinc/83/65/19/367836519.db2.gz UHJPTLSDTFYTRY-OCCSQVGLSA-N 2 2 256.390 0.848 20 0 CCADLP Cc1cc(NCC[N@@H+]2CC[C@@H](O)C2)nc(-c2ccncc2)[nH+]1 ZINC000624677784 367950360 /nfs/dbraw/zinc/95/03/60/367950360.db2.gz 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C[C@@H]1CC[C@@H](NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)C[NH2+]1 ZINC000626961567 368698568 /nfs/dbraw/zinc/69/85/68/368698568.db2.gz ALGYIZNOJLJUQI-CHWSQXEVSA-N 2 2 298.431 0.537 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)NCC[N@H+]2CCOC(C)(C)C2)C[NH2+]1 ZINC000626961567 368698574 /nfs/dbraw/zinc/69/85/74/368698574.db2.gz ALGYIZNOJLJUQI-CHWSQXEVSA-N 2 2 298.431 0.537 20 0 CCADLP Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)c(C)[nH+]1 ZINC000626910547 368674721 /nfs/dbraw/zinc/67/47/21/368674721.db2.gz VSRYFJIUCZZAOA-JOYOIKCWSA-N 2 2 276.340 0.504 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000626910975 368674783 /nfs/dbraw/zinc/67/47/83/368674783.db2.gz ORMWUIVFRKLXKH-GXSJLCMTSA-N 2 2 287.323 0.139 20 0 CCADLP C[C@H]1CC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)C[NH2+]1 ZINC000626920773 368678753 /nfs/dbraw/zinc/67/87/53/368678753.db2.gz KNWIHGYNRCOIHV-QWHCGFSZSA-N 2 2 298.431 0.537 20 0 CCADLP C[C@@H](NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)c1[nH+]ccn1C ZINC000627116901 368808989 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PHOSIBSOKPEJML-SNVBAGLBSA-N 2 2 255.366 0.596 20 0 CCADLP CCc1nnc([C@@H](C)[N@@H+](C)CCOCC[NH2+]C)[nH]1 ZINC000629572250 369717878 /nfs/dbraw/zinc/71/78/78/369717878.db2.gz PHOSIBSOKPEJML-SNVBAGLBSA-N 2 2 255.366 0.596 20 0 CCADLP C[NH2+]CCOCC[N@H+](C)[C@H](C)c1nc(COC)no1 ZINC000629572359 369718141 /nfs/dbraw/zinc/71/81/41/369718141.db2.gz QZRRHGXUGRMNHO-SNVBAGLBSA-N 2 2 272.349 0.445 20 0 CCADLP C[NH2+]CCOCC[N@@H+](C)[C@H](C)c1nc(COC)no1 ZINC000629572359 369718143 /nfs/dbraw/zinc/71/81/43/369718143.db2.gz QZRRHGXUGRMNHO-SNVBAGLBSA-N 2 2 272.349 0.445 20 0 CCADLP Nc1ncccc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000629531755 369692368 /nfs/dbraw/zinc/69/23/68/369692368.db2.gz XCKJREDICAUSJK-ZDUSSCGKSA-N 2 2 261.373 0.143 20 0 CCADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000276477186 193348296 /nfs/dbraw/zinc/34/82/96/193348296.db2.gz RMWJPRJQFNQJPH-ZDUSSCGKSA-N 2 2 263.341 0.509 20 0 CCADLP Cc1cc[nH+]cc1CCC[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000276477186 193348297 /nfs/dbraw/zinc/34/82/97/193348297.db2.gz RMWJPRJQFNQJPH-ZDUSSCGKSA-N 2 2 263.341 0.509 20 0 CCADLP O=c1[nH]cccc1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000629548822 369701104 /nfs/dbraw/zinc/70/11/04/369701104.db2.gz ZIDLJIPVINBRKT-QWHCGFSZSA-N 2 2 263.341 0.644 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCN(C2CCC2)C1=O)C1CC1 ZINC000629617003 369741761 /nfs/dbraw/zinc/74/17/61/369741761.db2.gz DUYPHIWBOOFNRZ-KBPBESRZSA-N 2 2 281.400 0.185 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCN(C2CCC2)C1=O)C1CC1 ZINC000629617003 369741767 /nfs/dbraw/zinc/74/17/67/369741767.db2.gz DUYPHIWBOOFNRZ-KBPBESRZSA-N 2 2 281.400 0.185 20 0 CCADLP Cc1cccc2ncc(C[NH2+]Cc3nc(C[NH3+])cc(=O)[nH]3)n21 ZINC000629652215 369747810 /nfs/dbraw/zinc/74/78/10/369747810.db2.gz CQFQYBWBIVKURO-UHFFFAOYSA-N 2 2 298.350 0.887 20 0 CCADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+][C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000629674205 369753114 /nfs/dbraw/zinc/75/31/14/369753114.db2.gz YLXSBDYHFQBOCU-GMXVVIOVSA-N 2 2 251.374 0.727 20 0 CCADLP Cc1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)n(C)n1 ZINC000629581056 369724862 /nfs/dbraw/zinc/72/48/62/369724862.db2.gz LHJPFZSSHQDKBV-CYBMUJFWSA-N 2 2 252.362 0.275 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2COCC[NH+]2C)CC[N@@H+]1C ZINC000630087169 369945555 /nfs/dbraw/zinc/94/55/55/369945555.db2.gz BNZJGSVAAWZBAC-RWMBFGLXSA-N 2 2 269.389 0.164 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2COCC[NH+]2C)CC[N@H+]1C ZINC000630087169 369945561 /nfs/dbraw/zinc/94/55/61/369945561.db2.gz BNZJGSVAAWZBAC-RWMBFGLXSA-N 2 2 269.389 0.164 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2COCC[N@@H+]2C)CC[NH+]1C ZINC000630087169 369945567 /nfs/dbraw/zinc/94/55/67/369945567.db2.gz BNZJGSVAAWZBAC-RWMBFGLXSA-N 2 2 269.389 0.164 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2COCC[N@H+]2C)CC[NH+]1C ZINC000630087169 369945572 /nfs/dbraw/zinc/94/55/72/369945572.db2.gz BNZJGSVAAWZBAC-RWMBFGLXSA-N 2 2 269.389 0.164 20 0 CCADLP C[NH+](C)CCn1cc(C(=O)NCCCn2cc[nH+]c2)cn1 ZINC000630407720 370102248 /nfs/dbraw/zinc/10/22/48/370102248.db2.gz XIZUSALPBSLCST-UHFFFAOYSA-N 2 2 290.371 0.461 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)NCCCn1cc[nH+]c1 ZINC000630409488 370103548 /nfs/dbraw/zinc/10/35/48/370103548.db2.gz SYOOHLSDQWNVKN-UHFFFAOYSA-N 2 2 262.317 0.838 20 0 CCADLP [NH3+][C@H](c1cn(-c2cc[nH+]c(CO)c2)nn1)C1CCOCC1 ZINC000630593072 370195619 /nfs/dbraw/zinc/19/56/19/370195619.db2.gz FYEQKSFFAWEPCB-AWEZNQCLSA-N 2 2 289.339 0.581 20 0 CCADLP CC[NH+]1CCC([NH2+]Cc2cn(C[C@H]3CCOC3)nn2)CC1 ZINC000631035462 370364879 /nfs/dbraw/zinc/36/48/79/370364879.db2.gz PFXXRBKEVPTJRS-CYBMUJFWSA-N 2 2 293.415 0.889 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631068777 370374483 /nfs/dbraw/zinc/37/44/83/370374483.db2.gz HOYBDYHUCLSIIT-GFCCVEGCSA-N 2 2 250.346 0.123 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631068777 370374488 /nfs/dbraw/zinc/37/44/88/370374488.db2.gz HOYBDYHUCLSIIT-GFCCVEGCSA-N 2 2 250.346 0.123 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H]2COCCO2)CC1 ZINC000567624194 291496417 /nfs/dbraw/zinc/49/64/17/291496417.db2.gz HVTQUZKEDAVLSU-ZDUSSCGKSA-N 2 2 272.389 0.227 20 0 CCADLP Cc1nc(NCc2ccc(CC[NH+](C)C)cc2)nc(N)[nH+]1 ZINC000631236515 370434200 /nfs/dbraw/zinc/43/42/00/370434200.db2.gz FYVFVHGQNUDECI-UHFFFAOYSA-N 2 2 286.383 0.731 20 0 CCADLP Cc1nc(N)nc(NCc2ccc(CC[NH+](C)C)cc2)[nH+]1 ZINC000631236515 370434205 /nfs/dbraw/zinc/43/42/05/370434205.db2.gz FYVFVHGQNUDECI-UHFFFAOYSA-N 2 2 286.383 0.731 20 0 CCADLP Cc1nc(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)nc(N)[nH+]1 ZINC000631166850 370409168 /nfs/dbraw/zinc/40/91/68/370409168.db2.gz BWXROTUXRQNGGL-NEPJUHHUSA-N 2 2 292.387 0.648 20 0 CCADLP CCC[C@H]1CN(c2nc(C)[nH+]c(N)n2)CC[N@@H+]1CCOC ZINC000631187558 370415905 /nfs/dbraw/zinc/41/59/05/370415905.db2.gz KRZVGVJEONQJRX-LBPRGKRZSA-N 2 2 294.403 0.530 20 0 CCADLP CCC[C@H]1CN(c2nc(C)[nH+]c(N)n2)CC[N@H+]1CCOC ZINC000631187558 370415910 /nfs/dbraw/zinc/41/59/10/370415910.db2.gz KRZVGVJEONQJRX-LBPRGKRZSA-N 2 2 294.403 0.530 20 0 CCADLP O[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000631199597 370418664 /nfs/dbraw/zinc/41/86/64/370418664.db2.gz DBUVSMQWTFHNRP-LSDHHAIUSA-N 2 2 277.368 0.395 20 0 CCADLP Cc1nc(NCCC[N@@H+](C)CC(C)C)nc(N)[nH+]1 ZINC000631330124 370477682 /nfs/dbraw/zinc/47/76/82/370477682.db2.gz UFNPFRJCZHTFFQ-UHFFFAOYSA-N 2 2 252.366 0.404 20 0 CCADLP Cc1nc(NCCC[N@H+](C)CC(C)C)nc(N)[nH+]1 ZINC000631330124 370477687 /nfs/dbraw/zinc/47/76/87/370477687.db2.gz UFNPFRJCZHTFFQ-UHFFFAOYSA-N 2 2 252.366 0.404 20 0 CCADLP Cc1nc(N)nc(NCCC[N@@H+](C)CC(C)C)[nH+]1 ZINC000631330124 370477691 /nfs/dbraw/zinc/47/76/91/370477691.db2.gz UFNPFRJCZHTFFQ-UHFFFAOYSA-N 2 2 252.366 0.404 20 0 CCADLP Cc1nc(N)nc(NCCC[N@H+](C)CC(C)C)[nH+]1 ZINC000631330124 370477694 /nfs/dbraw/zinc/47/76/94/370477694.db2.gz UFNPFRJCZHTFFQ-UHFFFAOYSA-N 2 2 252.366 0.404 20 0 CCADLP COc1ccnc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])n1 ZINC000567674523 291500518 /nfs/dbraw/zinc/50/05/18/291500518.db2.gz OSZOFUTXBUFDIK-HBNTYKKESA-N 2 2 266.345 0.327 20 0 CCADLP Cc1nc(NC[C@@H]2CC[N@@H+]2Cc2ccccc2)nc(N)[nH+]1 ZINC000631379630 370507097 /nfs/dbraw/zinc/50/70/97/370507097.db2.gz FZPBGUDJLCFAEK-ZDUSSCGKSA-N 2 2 284.367 0.701 20 0 CCADLP Cc1nc(NC[C@@H]2CC[N@H+]2Cc2ccccc2)nc(N)[nH+]1 ZINC000631379630 370507103 /nfs/dbraw/zinc/50/71/03/370507103.db2.gz FZPBGUDJLCFAEK-ZDUSSCGKSA-N 2 2 284.367 0.701 20 0 CCADLP Cc1noc(CCC[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)n1 ZINC000331614293 204014462 /nfs/dbraw/zinc/01/44/62/204014462.db2.gz WYXPMJOMOWUNSI-UHFFFAOYSA-N 2 2 290.371 0.852 20 0 CCADLP O=C1CNC(=O)N1CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000331685856 204075411 /nfs/dbraw/zinc/07/54/11/204075411.db2.gz VDRBDYVLXHXAPZ-UHFFFAOYSA-N 2 2 277.328 0.141 20 0 CCADLP C[C@@H]1CCN(C(=O)NC[C@@H]([NH3+])C2CC2)C[C@H]1C[NH3+] ZINC000331933618 204310007 /nfs/dbraw/zinc/31/00/07/204310007.db2.gz WSRIKVKHIFSUOP-YUSALJHKSA-N 2 2 254.378 0.350 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC[N@@H+]1C ZINC000633304993 371478271 /nfs/dbraw/zinc/47/82/71/371478271.db2.gz ZYZKDVHGJZSTJM-KGYLQXTDSA-N 2 2 262.357 0.654 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC[N@H+]1C ZINC000633304993 371478273 /nfs/dbraw/zinc/47/82/73/371478273.db2.gz ZYZKDVHGJZSTJM-KGYLQXTDSA-N 2 2 262.357 0.654 20 0 CCADLP CCC[C@H]1C[NH2+]CCN1C(=O)NCCc1cn(C)c[nH+]1 ZINC000633823506 371713364 /nfs/dbraw/zinc/71/33/64/371713364.db2.gz LUGFTPBUDJOKMF-ZDUSSCGKSA-N 2 2 279.388 0.746 20 0 CCADLP C[C@H]1CC[C@@H](C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)O1 ZINC000634688000 372133341 /nfs/dbraw/zinc/13/33/41/372133341.db2.gz FFGCUACNUQFFES-KBPBESRZSA-N 2 2 296.415 0.197 20 0 CCADLP C[C@H](C(=O)N1CC[NH+](CC2CC2)CC1)[NH+]1CC(C)C1 ZINC000567934739 291538405 /nfs/dbraw/zinc/53/84/05/291538405.db2.gz KVEXJCAXADSLDG-CYBMUJFWSA-N 2 2 265.401 0.881 20 0 CCADLP Cc1nc(N2CC[N@@H+](C)C[C@@H]2CO)c2c([nH+]1)CCCC2 ZINC000634802042 372243745 /nfs/dbraw/zinc/24/37/45/372243745.db2.gz VAQYYRGAKHSQJM-GFCCVEGCSA-N 2 2 276.384 0.777 20 0 CCADLP Cc1nc(N2CC[N@H+](C)C[C@@H]2CO)c2c([nH+]1)CCCC2 ZINC000634802042 372243753 /nfs/dbraw/zinc/24/37/53/372243753.db2.gz VAQYYRGAKHSQJM-GFCCVEGCSA-N 2 2 276.384 0.777 20 0 CCADLP [NH3+][C@H]1CCCN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C1 ZINC000634807652 372248257 /nfs/dbraw/zinc/24/82/57/372248257.db2.gz WGCYUYRMLKNJDJ-OLZOCXBDSA-N 2 2 291.399 0.613 20 0 CCADLP C[C@H](O)[C@@H]1CCN(c2cc(N[C@@H]3[C@H]4C[NH2+]C[C@H]43)[nH+]cn2)C1 ZINC000634809987 372253298 /nfs/dbraw/zinc/25/32/98/372253298.db2.gz IIYVINQLIPKFAF-VINAVUOLSA-N 2 2 289.383 0.313 20 0 CCADLP C[C@H](O)[C@@H]1CCN(c2cc(N[C@@H]3[C@H]4C[NH2+]C[C@H]43)nc[nH+]2)C1 ZINC000634809987 372253302 /nfs/dbraw/zinc/25/33/02/372253302.db2.gz IIYVINQLIPKFAF-VINAVUOLSA-N 2 2 289.383 0.313 20 0 CCADLP OC[C@H]1CCCN(c2cc(N[C@@H]3[C@H]4C[NH2+]C[C@H]43)[nH+]cn2)C1 ZINC000634810047 372253795 /nfs/dbraw/zinc/25/37/95/372253795.db2.gz KSUQCFINXVLVLK-UUIJZJDISA-N 2 2 289.383 0.315 20 0 CCADLP OC[C@H]1CCCN(c2cc(N[C@@H]3[C@H]4C[NH2+]C[C@H]43)nc[nH+]2)C1 ZINC000634810047 372253801 /nfs/dbraw/zinc/25/38/01/372253801.db2.gz KSUQCFINXVLVLK-UUIJZJDISA-N 2 2 289.383 0.315 20 0 CCADLP Cn1ncc2c1nc(N)[nH+]c2NCCC[NH2+]C1CC1 ZINC000634812100 372256383 /nfs/dbraw/zinc/25/63/83/372256383.db2.gz ZVBLTFCWYWLKDL-UHFFFAOYSA-N 2 2 261.333 0.330 20 0 CCADLP COCCC[N@H+](C)CC[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634963907 372315253 /nfs/dbraw/zinc/31/52/53/372315253.db2.gz HTWMLNFRTQSOEX-LBPRGKRZSA-N 2 2 257.378 0.213 20 0 CCADLP COCCC[N@@H+](C)CC[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634963907 372315255 /nfs/dbraw/zinc/31/52/55/372315255.db2.gz HTWMLNFRTQSOEX-LBPRGKRZSA-N 2 2 257.378 0.213 20 0 CCADLP O=C1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)CCN1 ZINC000634982504 372321940 /nfs/dbraw/zinc/32/19/40/372321940.db2.gz NCMQILISIFGQLW-OLZOCXBDSA-N 2 2 269.389 0.092 20 0 CCADLP O=C1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)CCN1 ZINC000634982504 372321951 /nfs/dbraw/zinc/32/19/51/372321951.db2.gz NCMQILISIFGQLW-OLZOCXBDSA-N 2 2 269.389 0.092 20 0 CCADLP c1ccc(C[NH+]2CCN(CC34CC(C3)C[NH2+]4)CC2)nc1 ZINC000634991565 372325760 /nfs/dbraw/zinc/32/57/60/372325760.db2.gz JDFAXDGVHCJJJD-UHFFFAOYSA-N 2 2 272.396 0.951 20 0 CCADLP CCO[C@H]1C[C@H](O)C12CC[NH+](CC13CC(C1)C[NH2+]3)CC2 ZINC000634992801 372326707 /nfs/dbraw/zinc/32/67/07/372326707.db2.gz BFZYRNKWDUGURG-GQKFXUNGSA-N 2 2 280.412 0.990 20 0 CCADLP COCCO[C@H]1CCC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634993755 372329019 /nfs/dbraw/zinc/32/90/19/372329019.db2.gz FLOLGPDSXHPRLS-MOKVOYLWSA-N 2 2 254.374 0.866 20 0 CCADLP COCCO[C@H]1CCC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634993755 372329022 /nfs/dbraw/zinc/32/90/22/372329022.db2.gz FLOLGPDSXHPRLS-MOKVOYLWSA-N 2 2 254.374 0.866 20 0 CCADLP Cc1nn(C)cc1C[NH+]1CCC([NH2+]CCO)CC1 ZINC000635001428 372338272 /nfs/dbraw/zinc/33/82/72/372338272.db2.gz RYYKTXUECJDFMX-UHFFFAOYSA-N 2 2 252.362 0.275 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CC[C@H](C[NH3+])CC1 ZINC000635004528 372340001 /nfs/dbraw/zinc/34/00/01/372340001.db2.gz IUOOUZJZRPNTAV-SYQHCUMBSA-N 3 2 255.406 0.861 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](CCO)CC1)CC(C)(C)C ZINC000635248316 372428454 /nfs/dbraw/zinc/42/84/54/372428454.db2.gz JUMNTXKCPSETCQ-UHFFFAOYSA-N 2 2 271.405 0.101 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](CCO)CC1)CC(C)(C)C ZINC000635248316 372428457 /nfs/dbraw/zinc/42/84/57/372428457.db2.gz JUMNTXKCPSETCQ-UHFFFAOYSA-N 2 2 271.405 0.101 20 0 CCADLP O=C([C@@H]1CC[N@@H+]1C1CCCC1)N1CC[NH+](CCO)CC1 ZINC000635249308 372429275 /nfs/dbraw/zinc/42/92/75/372429275.db2.gz TWNKVZMIFKWVRJ-AWEZNQCLSA-N 2 2 281.400 0.140 20 0 CCADLP O=C([C@@H]1CC[N@H+]1C1CCCC1)N1CC[NH+](CCO)CC1 ZINC000635249308 372429282 /nfs/dbraw/zinc/42/92/82/372429282.db2.gz TWNKVZMIFKWVRJ-AWEZNQCLSA-N 2 2 281.400 0.140 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C[C@H]2CC[NH+](C)C2)CCO1 ZINC000635465392 372534734 /nfs/dbraw/zinc/53/47/34/372534734.db2.gz MVINMQMNGQMARK-CHWSQXEVSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C[C@H]2CC[NH+](C)C2)CCO1 ZINC000635465392 372534739 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ZINC000638091739 374652864 /nfs/dbraw/zinc/65/28/64/374652864.db2.gz XQLCMLBMPDUMBL-HNNXBMFYSA-N 2 2 292.383 0.871 20 0 CCADLP CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000638098957 374661503 /nfs/dbraw/zinc/66/15/03/374661503.db2.gz JLRVHNDLEYBTEQ-DOMZBBRYSA-N 2 2 292.383 0.603 20 0 CCADLP CC(C)C[C@H](C(=O)NCC1C[NH2+]C1)n1cc[nH+]c1 ZINC000638153977 374725165 /nfs/dbraw/zinc/72/51/65/374725165.db2.gz QBACAZIJPODBFS-GFCCVEGCSA-N 2 2 250.346 0.806 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)[nH+]1 ZINC000638176570 374761834 /nfs/dbraw/zinc/76/18/34/374761834.db2.gz DGGFJNPWGCIRGK-MWLCHTKSSA-N 2 2 250.346 0.629 20 0 CCADLP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]([NH3+])CN(C)Cc1ccccc1 ZINC000638235048 374828503 /nfs/dbraw/zinc/82/85/03/374828503.db2.gz MPRCYROTNCILNG-VHDGCEQUSA-N 2 2 290.411 0.394 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638271714 374873474 /nfs/dbraw/zinc/87/34/74/374873474.db2.gz RYVAOBKPPWNUTR-ZDUSSCGKSA-N 2 2 266.345 0.134 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638280712 374886717 /nfs/dbraw/zinc/88/67/17/374886717.db2.gz DGZYIXOKFSTATL-XQQFMLRXSA-N 2 2 271.405 0.552 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000638280712 374886725 /nfs/dbraw/zinc/88/67/25/374886725.db2.gz DGZYIXOKFSTATL-XQQFMLRXSA-N 2 2 271.405 0.552 20 0 CCADLP [NH3+][C@@H]1CC=C(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000638290654 374899016 /nfs/dbraw/zinc/89/90/16/374899016.db2.gz UBOAZVRMQJZROX-CHWSQXEVSA-N 2 2 272.352 0.824 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)[nH+]1 ZINC000638339788 374941644 /nfs/dbraw/zinc/94/16/44/374941644.db2.gz DLNOCKSPELQDJZ-WDEREUQCSA-N 2 2 264.373 0.958 20 0 CCADLP C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C[NH3+] ZINC000638344679 374945815 /nfs/dbraw/zinc/94/58/15/374945815.db2.gz VARCCKUAQXULSN-DDHJBXDOSA-N 2 2 262.357 0.957 20 0 CCADLP C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C[NH3+] ZINC000638344679 374945821 /nfs/dbraw/zinc/94/58/21/374945821.db2.gz VARCCKUAQXULSN-DDHJBXDOSA-N 2 2 262.357 0.957 20 0 CCADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cnc(N)nc2N)C1 ZINC000638370831 374966741 /nfs/dbraw/zinc/96/67/41/374966741.db2.gz MWTFFMBURHKGHA-TXEJJXNPSA-N 2 2 292.431 0.759 20 0 CCADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cnc(N)nc2N)C1 ZINC000638370831 374966746 /nfs/dbraw/zinc/96/67/46/374966746.db2.gz MWTFFMBURHKGHA-TXEJJXNPSA-N 2 2 292.431 0.759 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)[nH+]1 ZINC000638398684 374993505 /nfs/dbraw/zinc/99/35/05/374993505.db2.gz WHKMPFZPMXCSAB-VHSXEESVSA-N 2 2 250.346 0.853 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000638433065 375033745 /nfs/dbraw/zinc/03/37/45/375033745.db2.gz VSLGOTHLHYTKRE-MWLCHTKSSA-N 2 2 250.346 0.478 20 0 CCADLP Nc1ncc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(N)n1 ZINC000638376348 374972585 /nfs/dbraw/zinc/97/25/85/374972585.db2.gz JONPCAMOCYBOCA-MNOVXSKESA-N 2 2 262.361 0.018 20 0 CCADLP Nc1ncc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(N)n1 ZINC000638376348 374972591 /nfs/dbraw/zinc/97/25/91/374972591.db2.gz JONPCAMOCYBOCA-MNOVXSKESA-N 2 2 262.361 0.018 20 0 CCADLP CCN(CC[NH3+])C(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000638516042 375107935 /nfs/dbraw/zinc/10/79/35/375107935.db2.gz KVMXONXMOFQPMG-NSHDSACASA-N 2 2 257.284 0.772 20 0 CCADLP C[NH2+]CCOCCN(C)C(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000638594150 375176250 /nfs/dbraw/zinc/17/62/50/375176250.db2.gz JQQHZHQJXUTDAD-ZDUSSCGKSA-N 2 2 294.399 0.448 20 0 CCADLP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H]2COCC[N@@H+]2C)cc1 ZINC000638611794 375193571 /nfs/dbraw/zinc/19/35/71/375193571.db2.gz QIWLDQWPPKWKJI-FZMZJTMJSA-N 2 2 277.368 0.767 20 0 CCADLP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H]2COCC[N@H+]2C)cc1 ZINC000638611794 375193575 /nfs/dbraw/zinc/19/35/75/375193575.db2.gz QIWLDQWPPKWKJI-FZMZJTMJSA-N 2 2 277.368 0.767 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000638612623 375195571 /nfs/dbraw/zinc/19/55/71/375195571.db2.gz WBGWFDXRVCTBHW-UONOGXRCSA-N 2 2 277.368 0.523 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000638612623 375195577 /nfs/dbraw/zinc/19/55/77/375195577.db2.gz WBGWFDXRVCTBHW-UONOGXRCSA-N 2 2 277.368 0.523 20 0 CCADLP COc1cccc([C@H]([NH3+])C(=O)NC[C@@H]2COCC[N@@H+]2C)c1 ZINC000638612611 375196680 /nfs/dbraw/zinc/19/66/80/375196680.db2.gz VTOMEXUASAWLQN-OCCSQVGLSA-N 2 2 293.367 0.142 20 0 CCADLP COc1cccc([C@H]([NH3+])C(=O)NC[C@@H]2COCC[N@H+]2C)c1 ZINC000638612611 375196684 /nfs/dbraw/zinc/19/66/84/375196684.db2.gz VTOMEXUASAWLQN-OCCSQVGLSA-N 2 2 293.367 0.142 20 0 CCADLP CN(CCOCC[NH3+])C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000638672341 375276605 /nfs/dbraw/zinc/27/66/05/375276605.db2.gz DSNMPCQUYIUBGI-UHFFFAOYSA-N 2 2 280.372 0.196 20 0 CCADLP CN(CCOCC[NH3+])C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000638675501 375280808 /nfs/dbraw/zinc/28/08/08/375280808.db2.gz IERZCPXVTDOGEK-UHFFFAOYSA-N 2 2 288.351 0.920 20 0 CCADLP COCCC[N@H+](C)CC[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1 ZINC000638710107 375314493 /nfs/dbraw/zinc/31/44/93/375314493.db2.gz NDPVECLGLMUDKM-UONOGXRCSA-N 2 2 285.432 0.992 20 0 CCADLP COCCC[N@@H+](C)CC[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1 ZINC000638710107 375314500 /nfs/dbraw/zinc/31/45/00/375314500.db2.gz NDPVECLGLMUDKM-UONOGXRCSA-N 2 2 285.432 0.992 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000638670085 375272350 /nfs/dbraw/zinc/27/23/50/375272350.db2.gz CPIOWNMMJLPHGG-CYBMUJFWSA-N 3 2 292.383 0.386 20 0 CCADLP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000638739616 375330373 /nfs/dbraw/zinc/33/03/73/375330373.db2.gz ULMBAQBWFJFPRI-FRRDWIJNSA-N 2 2 253.390 0.973 20 0 CCADLP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000638739616 375330381 /nfs/dbraw/zinc/33/03/81/375330381.db2.gz ULMBAQBWFJFPRI-FRRDWIJNSA-N 2 2 253.390 0.973 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cccc(F)c1N ZINC000638772575 375348591 /nfs/dbraw/zinc/34/85/91/375348591.db2.gz VMPORMHDLJQBDU-CYBMUJFWSA-N 2 2 255.337 0.810 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc(N)nc2N)C1 ZINC000638787744 375356051 /nfs/dbraw/zinc/35/60/51/375356051.db2.gz AMRACNUVBWOFLS-GFCCVEGCSA-N 2 2 292.431 0.759 20 0 CCADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(N)nc2N)C1 ZINC000638787744 375356056 /nfs/dbraw/zinc/35/60/56/375356056.db2.gz AMRACNUVBWOFLS-GFCCVEGCSA-N 2 2 292.431 0.759 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000638860895 375412943 /nfs/dbraw/zinc/41/29/43/375412943.db2.gz JYORKLYSXYXVPD-AWEZNQCLSA-N 3 2 296.459 0.742 20 0 CCADLP C[C@@H](C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[NH+](C)C ZINC000638983716 375496635 /nfs/dbraw/zinc/49/66/35/375496635.db2.gz NIIVASKVUOLPOS-NSHDSACASA-N 3 2 277.372 0.380 20 0 CCADLP CCCN(CC[NH+](CC)CC)Cc1c[nH+]c(N)nc1N ZINC000639049010 375547317 /nfs/dbraw/zinc/54/73/17/375547317.db2.gz GIDRNSCRWIMDRF-UHFFFAOYSA-N 2 2 280.420 0.856 20 0 CCADLP CC(C)(CN1CC[N@H+](CCO)C(C)(C)C1)[NH+]1CCOCC1 ZINC000639084106 375564626 /nfs/dbraw/zinc/56/46/26/375564626.db2.gz PLKSNSVAMRQIHC-UHFFFAOYSA-N 2 2 299.459 0.486 20 0 CCADLP CC(C)(CN1CC[N@@H+](CCO)C(C)(C)C1)[NH+]1CCOCC1 ZINC000639084106 375564631 /nfs/dbraw/zinc/56/46/31/375564631.db2.gz PLKSNSVAMRQIHC-UHFFFAOYSA-N 2 2 299.459 0.486 20 0 CCADLP C[C@@H]1CN(CC(C)(C)[NH+]2CCOCC2)CC[N@@H+]1CCO ZINC000639094281 375571128 /nfs/dbraw/zinc/57/11/28/375571128.db2.gz REMGAQRDKAAEDV-CQSZACIVSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H]1CN(CC(C)(C)[NH+]2CCOCC2)CC[N@H+]1CCO ZINC000639094281 375571133 /nfs/dbraw/zinc/57/11/33/375571133.db2.gz REMGAQRDKAAEDV-CQSZACIVSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H]1C[C@@H](NC[C@H](O)C[N@H+](C)C2CC2)c2[nH+]ccn21 ZINC000574631941 335034878 /nfs/dbraw/zinc/03/48/78/335034878.db2.gz RIYONVCGEZXZGE-KGYLQXTDSA-N 2 2 264.373 0.934 20 0 CCADLP C[C@@H]1C[C@@H](NC[C@H](O)C[N@@H+](C)C2CC2)c2[nH+]ccn21 ZINC000574631941 335034880 /nfs/dbraw/zinc/03/48/80/335034880.db2.gz RIYONVCGEZXZGE-KGYLQXTDSA-N 2 2 264.373 0.934 20 0 CCADLP CO[C@H](C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO)[C@@H]1CCOC1 ZINC000639217261 375637901 /nfs/dbraw/zinc/63/79/01/375637901.db2.gz CWLGSLNRJLTJEU-QLFBSQMISA-N 2 2 286.416 0.474 20 0 CCADLP CO[C@H](C[NH2+]C[C@@H]1CCCC[N@H+]1CCO)[C@@H]1CCOC1 ZINC000639217261 375637904 /nfs/dbraw/zinc/63/79/04/375637904.db2.gz CWLGSLNRJLTJEU-QLFBSQMISA-N 2 2 286.416 0.474 20 0 CCADLP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000639220296 375644503 /nfs/dbraw/zinc/64/45/03/375644503.db2.gz XBEGAGUTNPNXDJ-RBSFLKMASA-N 2 2 297.443 0.870 20 0 CCADLP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000639220296 375644505 /nfs/dbraw/zinc/64/45/05/375644505.db2.gz XBEGAGUTNPNXDJ-RBSFLKMASA-N 2 2 297.443 0.870 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CS1 ZINC000639349653 375751127 /nfs/dbraw/zinc/75/11/27/375751127.db2.gz QDHDPBBSEIIBLZ-SRVKXCTJSA-N 2 2 271.430 0.810 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CS1 ZINC000639349653 375751137 /nfs/dbraw/zinc/75/11/37/375751137.db2.gz QDHDPBBSEIIBLZ-SRVKXCTJSA-N 2 2 271.430 0.810 20 0 CCADLP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000639355113 375754042 /nfs/dbraw/zinc/75/40/42/375754042.db2.gz PCJCZYXVAHHYQT-FRRDWIJNSA-N 2 2 269.389 0.090 20 0 CCADLP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000639355113 375754045 /nfs/dbraw/zinc/75/40/45/375754045.db2.gz PCJCZYXVAHHYQT-FRRDWIJNSA-N 2 2 269.389 0.090 20 0 CCADLP CCC1([NH+](C)C)CCN(Cc2c[nH+]c(N)nc2N)CC1 ZINC000639378923 375769863 /nfs/dbraw/zinc/76/98/63/375769863.db2.gz UMEQSYWJWNQSFS-UHFFFAOYSA-N 2 2 278.404 0.608 20 0 CCADLP C[C@@H]1OCC[C@@H]1C[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000639480159 375801106 /nfs/dbraw/zinc/80/11/06/375801106.db2.gz FRSOAUUUPZTTMT-UONOGXRCSA-N 2 2 278.400 0.963 20 0 CCADLP CC[N@H+](CCc1c[nH+]cn1C)[C@@H]1CCS(=O)(=O)C1 ZINC000639521395 375822524 /nfs/dbraw/zinc/82/25/24/375822524.db2.gz DALMAEUBIXDZMH-GFCCVEGCSA-N 2 2 271.386 0.472 20 0 CCADLP CC[N@@H+](CCc1c[nH+]cn1C)[C@@H]1CCS(=O)(=O)C1 ZINC000639521395 375822528 /nfs/dbraw/zinc/82/25/28/375822528.db2.gz DALMAEUBIXDZMH-GFCCVEGCSA-N 2 2 271.386 0.472 20 0 CCADLP COCC[N@H+](CCc1c[nH+]cn1C)[C@H]1CCOC1 ZINC000639616303 375863666 /nfs/dbraw/zinc/86/36/66/375863666.db2.gz DEAQQXSUWADURB-ZDUSSCGKSA-N 2 2 253.346 0.700 20 0 CCADLP COCC[N@@H+](CCc1c[nH+]cn1C)[C@H]1CCOC1 ZINC000639616303 375863673 /nfs/dbraw/zinc/86/36/73/375863673.db2.gz DEAQQXSUWADURB-ZDUSSCGKSA-N 2 2 253.346 0.700 20 0 CCADLP CC(=O)N1CC[N@@H+](CCc2c[nH+]cn2C)C(C)(C)C1 ZINC000639569681 375839690 /nfs/dbraw/zinc/83/96/90/375839690.db2.gz XOMJTEZSRYICJC-UHFFFAOYSA-N 2 2 264.373 0.905 20 0 CCADLP CC(=O)N1CC[N@H+](CCc2c[nH+]cn2C)C(C)(C)C1 ZINC000639569681 375839691 /nfs/dbraw/zinc/83/96/91/375839691.db2.gz XOMJTEZSRYICJC-UHFFFAOYSA-N 2 2 264.373 0.905 20 0 CCADLP O=C1[C@H]([NH+]2CCN(c3[nH]cc[nH+]3)CC2)CCN1C1CCC1 ZINC000639626521 375871120 /nfs/dbraw/zinc/87/11/20/375871120.db2.gz IXTOOXDSYYGIGP-CYBMUJFWSA-N 2 2 289.383 0.685 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](C[C@H]2CC(C)(C)CO2)CC1=O ZINC000639719659 375944141 /nfs/dbraw/zinc/94/41/41/375944141.db2.gz MMFNJFNLKNWNPO-CYBMUJFWSA-N 2 2 283.416 0.507 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](C[C@H]2CC(C)(C)CO2)CC1=O ZINC000639719659 375944147 /nfs/dbraw/zinc/94/41/47/375944147.db2.gz MMFNJFNLKNWNPO-CYBMUJFWSA-N 2 2 283.416 0.507 20 0 CCADLP COCCOCC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639765508 375996349 /nfs/dbraw/zinc/99/63/49/375996349.db2.gz IVWKCYZDAJWYAQ-CYBMUJFWSA-N 2 2 260.378 0.038 20 0 CCADLP COCCOCC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639765508 375996351 /nfs/dbraw/zinc/99/63/51/375996351.db2.gz IVWKCYZDAJWYAQ-CYBMUJFWSA-N 2 2 260.378 0.038 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C1 ZINC000639760824 375984828 /nfs/dbraw/zinc/98/48/28/375984828.db2.gz BBFMUTQNAZIZAV-CJNGLKHVSA-N 2 2 297.443 0.774 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+]([C@@H]2CCN(C(C)(C)C)C2=O)C1 ZINC000639760824 375984834 /nfs/dbraw/zinc/98/48/34/375984834.db2.gz BBFMUTQNAZIZAV-CJNGLKHVSA-N 2 2 297.443 0.774 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCOC[C@H]2CCCO2)C1 ZINC000639761044 375985136 /nfs/dbraw/zinc/98/51/36/375985136.db2.gz FEYPYKBYDFLNQZ-CABCVRRESA-N 2 2 286.416 0.571 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCOC[C@H]2CCCO2)C1 ZINC000639761044 375985146 /nfs/dbraw/zinc/98/51/46/375985146.db2.gz FEYPYKBYDFLNQZ-CABCVRRESA-N 2 2 286.416 0.571 20 0 CCADLP Cc1cc(C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)nc(C)n1 ZINC000639761214 375985924 /nfs/dbraw/zinc/98/59/24/375985924.db2.gz FCLLHUWGQULLTQ-HNNXBMFYSA-N 2 2 278.400 0.982 20 0 CCADLP Cc1cc(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)nc(C)n1 ZINC000639761214 375985928 /nfs/dbraw/zinc/98/59/28/375985928.db2.gz FCLLHUWGQULLTQ-HNNXBMFYSA-N 2 2 278.400 0.982 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000639848712 376061795 /nfs/dbraw/zinc/06/17/95/376061795.db2.gz IVSVLGUBINEJCZ-OLZOCXBDSA-N 2 2 253.346 0.170 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000639848712 376061797 /nfs/dbraw/zinc/06/17/97/376061797.db2.gz IVSVLGUBINEJCZ-OLZOCXBDSA-N 2 2 253.346 0.170 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C)C[C@H]1CO ZINC000639938501 376137168 /nfs/dbraw/zinc/13/71/68/376137168.db2.gz ZHPRGGPZJYNVHJ-HZSPNIEDSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C)C[C@H]1CO ZINC000639938501 376137171 /nfs/dbraw/zinc/13/71/71/376137171.db2.gz ZHPRGGPZJYNVHJ-HZSPNIEDSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](C)C[C@H]1CO ZINC000639938501 376137175 /nfs/dbraw/zinc/13/71/75/376137175.db2.gz ZHPRGGPZJYNVHJ-HZSPNIEDSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C)C[C@H]1CO ZINC000639938501 376137177 /nfs/dbraw/zinc/13/71/77/376137177.db2.gz ZHPRGGPZJYNVHJ-HZSPNIEDSA-N 2 2 274.405 0.018 20 0 CCADLP CO[C@@H]1C[N@H+](CCCn2cc[nH+]c2)[C@@](C)(CO)C1 ZINC000639997858 376174509 /nfs/dbraw/zinc/17/45/09/376174509.db2.gz CGNLDNHMGPNPAW-QWHCGFSZSA-N 2 2 253.346 0.745 20 0 CCADLP CO[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)[C@@](C)(CO)C1 ZINC000639997858 376174513 /nfs/dbraw/zinc/17/45/13/376174513.db2.gz CGNLDNHMGPNPAW-QWHCGFSZSA-N 2 2 253.346 0.745 20 0 CCADLP C[C@@H]1OCC[C@H]1C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640060397 376222090 /nfs/dbraw/zinc/22/20/90/376222090.db2.gz IVDHXICZAROECX-STQMWFEESA-N 2 2 269.389 0.117 20 0 CCADLP C[C@@H]1OCC[C@H]1C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640060397 376222093 /nfs/dbraw/zinc/22/20/93/376222093.db2.gz IVDHXICZAROECX-STQMWFEESA-N 2 2 269.389 0.117 20 0 CCADLP c1cc2c(cc1C[NH2+]C[C@@H]1C[NH2+]CCO1)C[NH2+]CC2 ZINC000656786112 412851422 /nfs/dbraw/zinc/85/14/22/412851422.db2.gz KPFXIAAPYTYHEL-HNNXBMFYSA-N 3 2 261.369 0.410 20 0 CCADLP COCC[N@H+](C)Cc1cn(CCn2cc[nH+]c2C)nn1 ZINC000640986614 376651092 /nfs/dbraw/zinc/65/10/92/376651092.db2.gz ZDOUCBNUOUYPKW-UHFFFAOYSA-N 2 2 278.360 0.561 20 0 CCADLP COCC[N@@H+](C)Cc1cn(CCn2cc[nH+]c2C)nn1 ZINC000640986614 376651098 /nfs/dbraw/zinc/65/10/98/376651098.db2.gz ZDOUCBNUOUYPKW-UHFFFAOYSA-N 2 2 278.360 0.561 20 0 CCADLP OCc1cc[nH+]c(NCCC[NH+]2CCOCC2)c1 ZINC000641251685 376942411 /nfs/dbraw/zinc/94/24/11/376942411.db2.gz DGDUALQRGUHOPP-UHFFFAOYSA-N 2 2 251.330 0.130 20 0 CCADLP O=S(=O)(CCn1cc[nH+]c1)N1CC[NH+](C2CCC2)CC1 ZINC000641327849 376997694 /nfs/dbraw/zinc/99/76/94/376997694.db2.gz DKJJRBTWWPQNAF-UHFFFAOYSA-N 2 2 298.412 0.383 20 0 CCADLP C[N@H+](CCCO)C1CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000641382035 377053656 /nfs/dbraw/zinc/05/36/56/377053656.db2.gz SYEKWNDPRWLLQM-UHFFFAOYSA-N 2 2 279.384 0.857 20 0 CCADLP C[N@@H+](CCCO)C1CCN(c2cc(CO)cc[nH+]2)CC1 ZINC000641382035 377053664 /nfs/dbraw/zinc/05/36/64/377053664.db2.gz SYEKWNDPRWLLQM-UHFFFAOYSA-N 2 2 279.384 0.857 20 0 CCADLP CC[N@@H+]1CCN(S(=O)(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC000641394803 377066246 /nfs/dbraw/zinc/06/62/46/377066246.db2.gz SUDWIBMXFNBZKJ-LBPRGKRZSA-N 2 2 286.401 0.239 20 0 CCADLP CC[N@H+]1CCN(S(=O)(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC000641394803 377066253 /nfs/dbraw/zinc/06/62/53/377066253.db2.gz SUDWIBMXFNBZKJ-LBPRGKRZSA-N 2 2 286.401 0.239 20 0 CCADLP COCc1cc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)no1 ZINC000641747356 377434970 /nfs/dbraw/zinc/43/49/70/377434970.db2.gz IATJIWLOZMVLDS-CYBMUJFWSA-N 2 2 296.415 0.937 20 0 CCADLP C[NH+](C)C1CC([NH2+]Cc2ccc(S(N)(=O)=O)s2)C1 ZINC000641764103 377448696 /nfs/dbraw/zinc/44/86/96/377448696.db2.gz AWJNLTCLQQDELU-UHFFFAOYSA-N 2 2 289.426 0.578 20 0 CCADLP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641789012 377464151 /nfs/dbraw/zinc/46/41/51/377464151.db2.gz WZJNGNJJASDLPM-ARFHVFGLSA-N 2 2 299.459 0.796 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC000641801909 377471923 /nfs/dbraw/zinc/47/19/23/377471923.db2.gz GREYZZPZQXEEAC-NXEZZACHSA-N 2 2 261.329 0.238 20 0 CCADLP CCS(=O)(=O)NCCC[N@@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000641809573 377482568 /nfs/dbraw/zinc/48/25/68/377482568.db2.gz RKZKMTHQXYUZPS-XQQFMLRXSA-N 2 2 291.461 0.764 20 0 CCADLP CCS(=O)(=O)NCCC[N@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000641809573 377482574 /nfs/dbraw/zinc/48/25/74/377482574.db2.gz RKZKMTHQXYUZPS-XQQFMLRXSA-N 2 2 291.461 0.764 20 0 CCADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC000459675101 249050760 /nfs/dbraw/zinc/05/07/60/249050760.db2.gz JMDXCIYAPQOEFB-HOCLYGCPSA-N 2 2 287.363 0.966 20 0 CCADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@H](O)[C@H](CO)C1 ZINC000459675101 249050763 /nfs/dbraw/zinc/05/07/63/249050763.db2.gz JMDXCIYAPQOEFB-HOCLYGCPSA-N 2 2 287.363 0.966 20 0 CCADLP Cn1nccc1[C@H](CO)[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000459779665 249061183 /nfs/dbraw/zinc/06/11/83/249061183.db2.gz XZOHGUNHLMFRLB-STQMWFEESA-N 2 2 266.389 0.918 20 0 CCADLP Cn1nccc1[C@H](CO)[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000459779665 249061184 /nfs/dbraw/zinc/06/11/84/249061184.db2.gz XZOHGUNHLMFRLB-STQMWFEESA-N 2 2 266.389 0.918 20 0 CCADLP Cc1ncc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)s1 ZINC000514949504 249114527 /nfs/dbraw/zinc/11/45/27/249114527.db2.gz GOHBXCRDBQRDRB-MWLCHTKSSA-N 2 2 266.370 0.195 20 0 CCADLP Cc1ncc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)s1 ZINC000514949504 249114530 /nfs/dbraw/zinc/11/45/30/249114530.db2.gz GOHBXCRDBQRDRB-MWLCHTKSSA-N 2 2 266.370 0.195 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CO1 ZINC000514859959 249108020 /nfs/dbraw/zinc/10/80/20/249108020.db2.gz UFAIOBHSINTKDE-CHWSQXEVSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](CC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C)n1cc[nH+]c1 ZINC000516076365 249150145 /nfs/dbraw/zinc/15/01/45/249150145.db2.gz PNOFXFINJBLMLW-MCIONIFRSA-N 2 2 294.399 0.748 20 0 CCADLP C[C@H](CC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C)n1cc[nH+]c1 ZINC000516076365 249150146 /nfs/dbraw/zinc/15/01/46/249150146.db2.gz PNOFXFINJBLMLW-MCIONIFRSA-N 2 2 294.399 0.748 20 0 CCADLP O=C1C[C@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)[C@@H]2CCCCN12 ZINC000515413427 249133000 /nfs/dbraw/zinc/13/30/00/249133000.db2.gz WTJUZDGLFCTSDC-RZLSGREXSA-N 2 2 293.411 0.496 20 0 CCADLP C[C@@H]1CN(c2cc[nH+]c(N3CCOCC3)n2)[C@H](C)C[NH2+]1 ZINC000515622859 249139777 /nfs/dbraw/zinc/13/97/77/249139777.db2.gz KOWBHVBXSXPEON-VXGBXAGGSA-N 2 2 277.372 0.500 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000515672721 249142898 /nfs/dbraw/zinc/14/28/98/249142898.db2.gz JKJPWAUCWDQZNM-WCQYABFASA-N 2 2 276.340 0.606 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH2+]C(C)(C)C(=O)NCC1CCCC1 ZINC000516487872 249167100 /nfs/dbraw/zinc/16/71/00/249167100.db2.gz AIXRBAQWVLVMAX-AWEZNQCLSA-N 2 2 299.459 0.974 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+]C(C)(C)C(=O)NCC1CCCC1 ZINC000516487872 249167102 /nfs/dbraw/zinc/16/71/02/249167102.db2.gz AIXRBAQWVLVMAX-AWEZNQCLSA-N 2 2 299.459 0.974 20 0 CCADLP [NH3+]C1(CNC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CCC1 ZINC000516585023 249172946 /nfs/dbraw/zinc/17/29/46/249172946.db2.gz ILRAOCJAZXYIEV-UHFFFAOYSA-N 2 2 287.323 0.270 20 0 CCADLP C[C@H](C(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C)[NH+]1CC(C)C1 ZINC000516660856 249176154 /nfs/dbraw/zinc/17/61/54/249176154.db2.gz DJKWXLQPJLRTKX-RWMBFGLXSA-N 2 2 253.390 0.878 20 0 CCADLP C[C@H](C(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C)[NH+]1CC(C)C1 ZINC000516660856 249176156 /nfs/dbraw/zinc/17/61/56/249176156.db2.gz DJKWXLQPJLRTKX-RWMBFGLXSA-N 2 2 253.390 0.878 20 0 CCADLP Cc1ccc(F)c(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000516785834 249181020 /nfs/dbraw/zinc/18/10/20/249181020.db2.gz XQUUGZRTONWASQ-GXTWGEPZSA-N 2 2 277.343 0.878 20 0 CCADLP Cc1ccc(F)c(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000516785834 249181021 /nfs/dbraw/zinc/18/10/21/249181021.db2.gz XQUUGZRTONWASQ-GXTWGEPZSA-N 2 2 277.343 0.878 20 0 CCADLP CCCCNC(=O)CC[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643065705 377709849 /nfs/dbraw/zinc/70/98/49/377709849.db2.gz FKBHCZYTIYJWGQ-CHWSQXEVSA-N 2 2 253.390 0.977 20 0 CCADLP CCCCNC(=O)CC[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643065705 377709861 /nfs/dbraw/zinc/70/98/61/377709861.db2.gz FKBHCZYTIYJWGQ-CHWSQXEVSA-N 2 2 253.390 0.977 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)n1C ZINC000278532877 194029752 /nfs/dbraw/zinc/02/97/52/194029752.db2.gz BIORLNYULOLQPM-CYBMUJFWSA-N 2 2 291.399 0.729 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)[C@H]2CCC[N@H+]2C2CC2)n1C ZINC000278532877 194029754 /nfs/dbraw/zinc/02/97/54/194029754.db2.gz BIORLNYULOLQPM-CYBMUJFWSA-N 2 2 291.399 0.729 20 0 CCADLP C=Cn1cc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)cn1 ZINC000278561681 194045095 /nfs/dbraw/zinc/04/50/95/194045095.db2.gz BGBKATOIXCUCPH-CYBMUJFWSA-N 2 2 277.372 0.413 20 0 CCADLP C=Cn1cc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)cn1 ZINC000278561681 194045097 /nfs/dbraw/zinc/04/50/97/194045097.db2.gz BGBKATOIXCUCPH-CYBMUJFWSA-N 2 2 277.372 0.413 20 0 CCADLP C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000278759548 194141189 /nfs/dbraw/zinc/14/11/89/194141189.db2.gz XEJCQBIYLRFZKB-BXUZGUMPSA-N 2 2 261.325 0.964 20 0 CCADLP Cc1cc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC000570225800 291743258 /nfs/dbraw/zinc/74/32/58/291743258.db2.gz CCNZLFSDAKFXSS-VXGBXAGGSA-N 2 2 289.383 0.657 20 0 CCADLP O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000279048683 194263967 /nfs/dbraw/zinc/26/39/67/194263967.db2.gz RELUVGZQCVAQCO-RYUDHWBXSA-N 2 2 289.383 0.407 20 0 CCADLP O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000279048683 194263969 /nfs/dbraw/zinc/26/39/69/194263969.db2.gz RELUVGZQCVAQCO-RYUDHWBXSA-N 2 2 289.383 0.407 20 0 CCADLP C[C@@H](CNC(=O)CCc1[nH]cc[nH+]1)[NH+]1CCOCC1 ZINC000279229771 194343014 /nfs/dbraw/zinc/34/30/14/194343014.db2.gz PZUWQXGFKFPXCB-NSHDSACASA-N 2 2 266.345 0.179 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000279305141 194377982 /nfs/dbraw/zinc/37/79/82/194377982.db2.gz ADOYBZGYZGXZGE-PWSUYJOCSA-N 2 2 280.372 0.486 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCc3ccsc3C2)CC1 ZINC000334816353 207126510 /nfs/dbraw/zinc/12/65/10/207126510.db2.gz CNOOPTVUYZYWPO-UHFFFAOYSA-N 2 2 279.409 0.880 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCc3ccsc3C2)CC1 ZINC000334816353 207126516 /nfs/dbraw/zinc/12/65/16/207126516.db2.gz CNOOPTVUYZYWPO-UHFFFAOYSA-N 2 2 279.409 0.880 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCNC2=O)C[N@@H+]1C1CC1 ZINC000657284656 412950677 /nfs/dbraw/zinc/95/06/77/412950677.db2.gz UVTBDDHLDHGOTH-GRYCIOLGSA-N 2 2 251.374 0.727 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCNC2=O)C[N@H+]1C1CC1 ZINC000657284656 412950682 /nfs/dbraw/zinc/95/06/82/412950682.db2.gz UVTBDDHLDHGOTH-GRYCIOLGSA-N 2 2 251.374 0.727 20 0 CCADLP CN(C)C(=O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657293054 412953298 /nfs/dbraw/zinc/95/32/98/412953298.db2.gz VLGIQUZEVUDLFL-UHFFFAOYSA-N 2 2 259.313 0.445 20 0 CCADLP C[C@@H]1CN(C[C@H](O)C[NH2+]CCc2cn(C)c[nH+]2)C[C@H](C)O1 ZINC000571039848 291785875 /nfs/dbraw/zinc/78/58/75/291785875.db2.gz MCAWHTCCVOAHPE-VNHYZAJKSA-N 2 2 296.415 0.022 20 0 CCADLP O=C(N[C@@H]1CCC[NH2+]C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000334944073 207332546 /nfs/dbraw/zinc/33/25/46/207332546.db2.gz LNANVUKYUACPRV-CYBMUJFWSA-N 2 2 292.383 0.859 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000574810748 335047653 /nfs/dbraw/zinc/04/76/53/335047653.db2.gz NDYQHZDHPOHURC-KGLIPLIRSA-N 3 2 254.422 0.339 20 0 CCADLP COCC[NH+]1CCN(C(=O)c2csc(CC[NH3+])n2)CC1 ZINC000194826637 285048212 /nfs/dbraw/zinc/04/82/12/285048212.db2.gz TYOUFSPPELLVOX-UHFFFAOYSA-N 2 2 298.412 0.049 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000574810748 335047654 /nfs/dbraw/zinc/04/76/54/335047654.db2.gz NDYQHZDHPOHURC-KGLIPLIRSA-N 3 2 254.422 0.339 20 0 CCADLP O=S1(=O)CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000069136871 285058121 /nfs/dbraw/zinc/05/81/21/285058121.db2.gz FSCRZKNAPJDJJN-NWDGAFQWSA-N 2 2 272.414 0.638 20 0 CCADLP O=S1(=O)CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000069136871 285058123 /nfs/dbraw/zinc/05/81/23/285058123.db2.gz FSCRZKNAPJDJJN-NWDGAFQWSA-N 2 2 272.414 0.638 20 0 CCADLP COCC[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C1 ZINC000423486464 285060125 /nfs/dbraw/zinc/06/01/25/285060125.db2.gz SUUNGOCUGWNMIL-KBPBESRZSA-N 3 2 255.406 0.829 20 0 CCADLP COCC[N@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C1 ZINC000423486464 285060126 /nfs/dbraw/zinc/06/01/26/285060126.db2.gz SUUNGOCUGWNMIL-KBPBESRZSA-N 3 2 255.406 0.829 20 0 CCADLP NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657372037 412975575 /nfs/dbraw/zinc/97/55/75/412975575.db2.gz ZUBVVMNZAAFOQB-QWRGUYRKSA-N 2 2 262.357 0.963 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(CC[NH+]2CCO[C@H](C)C2)[C@H](C)C1 ZINC000249295098 285109254 /nfs/dbraw/zinc/10/92/54/285109254.db2.gz QQKTUIYYQWUQSY-QLFBSQMISA-N 2 2 285.432 0.094 20 0 CCADLP C[C@H](O)C[NH+]1CCN(CC[N@@H+]2CCO[C@H](C)C2)[C@H](C)C1 ZINC000249295098 285109255 /nfs/dbraw/zinc/10/92/55/285109255.db2.gz QQKTUIYYQWUQSY-QLFBSQMISA-N 2 2 285.432 0.094 20 0 CCADLP C[C@H](O)C[NH+]1CCN(CC[N@H+]2CCO[C@H](C)C2)[C@H](C)C1 ZINC000249295098 285109257 /nfs/dbraw/zinc/10/92/57/285109257.db2.gz QQKTUIYYQWUQSY-QLFBSQMISA-N 2 2 285.432 0.094 20 0 CCADLP COCCOc1ccccc1C[N@H+](C)C[C@H](O)C[NH3+] ZINC000415073303 285119183 /nfs/dbraw/zinc/11/91/83/285119183.db2.gz YFIPFMJBSBDDQQ-CYBMUJFWSA-N 2 2 268.357 0.463 20 0 CCADLP COCCOc1ccccc1C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000415073303 285119184 /nfs/dbraw/zinc/11/91/84/285119184.db2.gz YFIPFMJBSBDDQQ-CYBMUJFWSA-N 2 2 268.357 0.463 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@H](CO)c1ccccc1)C1CC1 ZINC000289374104 197317395 /nfs/dbraw/zinc/31/73/95/197317395.db2.gz OTQLCILQHSFNPB-HUUCEWRRSA-N 2 2 264.369 0.765 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@H](CO)c1ccccc1)C1CC1 ZINC000289374104 197317396 /nfs/dbraw/zinc/31/73/96/197317396.db2.gz OTQLCILQHSFNPB-HUUCEWRRSA-N 2 2 264.369 0.765 20 0 CCADLP C[C@H](C(=O)N1CC[NH+](C[C@H](C)O)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000249515791 285121514 /nfs/dbraw/zinc/12/15/14/285121514.db2.gz QTOMRGQORJLVBZ-LJISPDSOSA-N 2 2 297.443 0.773 20 0 CCADLP C[C@H](C(=O)N1CC[NH+](C[C@H](C)O)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000249515791 285121517 /nfs/dbraw/zinc/12/15/17/285121517.db2.gz QTOMRGQORJLVBZ-LJISPDSOSA-N 2 2 297.443 0.773 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000418216195 533076884 /nfs/dbraw/zinc/07/68/84/533076884.db2.gz NWIAUUOSGCEERS-MNOVXSKESA-N 2 2 278.356 0.982 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000418221258 533076895 /nfs/dbraw/zinc/07/68/95/533076895.db2.gz VNINYRMNRYJBMF-JTQLQIEISA-N 2 2 264.329 0.594 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCN1CC[C@@H](C[NH+](C)C)C1 ZINC000249595540 285131466 /nfs/dbraw/zinc/13/14/66/285131466.db2.gz PSAYDFVVGUUBER-KGLIPLIRSA-N 2 2 255.406 0.591 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCN1CC[C@@H](C[NH+](C)C)C1 ZINC000249595540 285131467 /nfs/dbraw/zinc/13/14/67/285131467.db2.gz PSAYDFVVGUUBER-KGLIPLIRSA-N 2 2 255.406 0.591 20 0 CCADLP COc1ccc(C[N@H+](C)C[C@@H](O)C[NH3+])c(OC)c1 ZINC000259119418 285154283 /nfs/dbraw/zinc/15/42/83/285154283.db2.gz SYQWODSYZYRMOX-NSHDSACASA-N 2 2 254.330 0.455 20 0 CCADLP COc1ccc(C[N@@H+](C)C[C@@H](O)C[NH3+])c(OC)c1 ZINC000259119418 285154287 /nfs/dbraw/zinc/15/42/87/285154287.db2.gz SYQWODSYZYRMOX-NSHDSACASA-N 2 2 254.330 0.455 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H](C)O)C2)CC1 ZINC000305168191 285170259 /nfs/dbraw/zinc/17/02/59/285170259.db2.gz IMPVBCRWRBRBSF-KKUMJFAQSA-N 2 2 297.443 0.632 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H](C)O)C2)CC1 ZINC000305168191 285170265 /nfs/dbraw/zinc/17/02/65/285170265.db2.gz IMPVBCRWRBRBSF-KKUMJFAQSA-N 2 2 297.443 0.632 20 0 CCADLP CN1C(=O)CC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1=O ZINC000657497075 413010920 /nfs/dbraw/zinc/01/09/20/413010920.db2.gz OMEXAXUYESYABG-JTQLQIEISA-N 2 2 262.313 0.066 20 0 CCADLP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Cn1cc[nH+]c1 ZINC000288477687 197088777 /nfs/dbraw/zinc/08/87/77/197088777.db2.gz QTWBCIKFFMNOPK-QWHCGFSZSA-N 2 2 262.357 0.968 20 0 CCADLP OCC[N@@H+]1CCCC[C@@H]1CN[C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423142400 285258950 /nfs/dbraw/zinc/25/89/50/285258950.db2.gz AJPDQAKVAWAIRU-BZUAXINKSA-N 2 2 297.443 0.190 20 0 CCADLP OCC[N@H+]1CCCC[C@@H]1CN[C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423142400 285258952 /nfs/dbraw/zinc/25/89/52/285258952.db2.gz AJPDQAKVAWAIRU-BZUAXINKSA-N 2 2 297.443 0.190 20 0 CCADLP OCCN1CCCC[C@@H]1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423142400 285258955 /nfs/dbraw/zinc/25/89/55/285258955.db2.gz AJPDQAKVAWAIRU-BZUAXINKSA-N 2 2 297.443 0.190 20 0 CCADLP CN(C)C(=O)O[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000496197763 285266393 /nfs/dbraw/zinc/26/63/93/285266393.db2.gz PYZJRNIJAMCJST-STQMWFEESA-N 2 2 285.388 0.214 20 0 CCADLP CN(C)C(=O)O[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000496197763 285266395 /nfs/dbraw/zinc/26/63/95/285266395.db2.gz PYZJRNIJAMCJST-STQMWFEESA-N 2 2 285.388 0.214 20 0 CCADLP CN(C)C(=O)O[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000496197763 285266397 /nfs/dbraw/zinc/26/63/97/285266397.db2.gz PYZJRNIJAMCJST-STQMWFEESA-N 2 2 285.388 0.214 20 0 CCADLP CN(C)C(=O)O[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000496197763 285266398 /nfs/dbraw/zinc/26/63/98/285266398.db2.gz PYZJRNIJAMCJST-STQMWFEESA-N 2 2 285.388 0.214 20 0 CCADLP COC[C@]1(C(=O)NCc2cc(C)[nH+]c(C)c2)CC[NH2+]C1 ZINC000424054138 533207392 /nfs/dbraw/zinc/20/73/92/533207392.db2.gz GJEQPNMCZWMXNB-HNNXBMFYSA-N 2 2 277.368 0.941 20 0 CCADLP CC(C)(CNC(=O)[C@@H]1CCCC[NH2+]1)[NH+]1CCOCC1 ZINC000040805154 388855416 /nfs/dbraw/zinc/85/54/16/388855416.db2.gz VAOHLOXEECTTAY-LBPRGKRZSA-N 2 2 269.389 0.356 20 0 CCADLP CC(C)([NH3+])C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000040925280 388859764 /nfs/dbraw/zinc/85/97/64/388859764.db2.gz RPLJNYXCJRGNNC-UHFFFAOYSA-N 2 2 291.395 0.872 20 0 CCADLP CC(C)(CNC(=O)c1coc(C[NH3+])c1)[NH+]1CCOCC1 ZINC000188029352 388910365 /nfs/dbraw/zinc/91/03/65/388910365.db2.gz WVAGAADFEKNSJP-UHFFFAOYSA-N 2 2 281.356 0.579 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(C)ncn3)C2)CC1 ZINC000292375633 388948612 /nfs/dbraw/zinc/94/86/12/388948612.db2.gz GZZUJBNVFRQDJK-INIZCTEOSA-N 2 2 289.427 0.997 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(C)ncn3)C2)CC1 ZINC000292375633 388948615 /nfs/dbraw/zinc/94/86/15/388948615.db2.gz GZZUJBNVFRQDJK-INIZCTEOSA-N 2 2 289.427 0.997 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000292438975 388949400 /nfs/dbraw/zinc/94/94/00/388949400.db2.gz VOWRUPJQLPUYGF-YPMHNXCESA-N 2 2 277.372 0.656 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000292438975 388949403 /nfs/dbraw/zinc/94/94/03/388949403.db2.gz VOWRUPJQLPUYGF-YPMHNXCESA-N 2 2 277.372 0.656 20 0 CCADLP C[C@H](O)C[NH+]1CCN(Cc2c[nH+]c3ccccn23)CC1 ZINC000189321182 388955330 /nfs/dbraw/zinc/95/53/30/388955330.db2.gz AHXDZPNQQLGAGQ-ZDUSSCGKSA-N 2 2 274.368 0.833 20 0 CCADLP Cc1[nH+]ccn1CCCCN1CC[NH+](C[C@@H](C)O)CC1 ZINC000189369170 388957219 /nfs/dbraw/zinc/95/72/19/388957219.db2.gz PWBKUCKDKKZSEO-CQSZACIVSA-N 2 2 280.416 0.970 20 0 CCADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(C[C@@H](C)O)CC1 ZINC000189369170 388957226 /nfs/dbraw/zinc/95/72/26/388957226.db2.gz PWBKUCKDKKZSEO-CQSZACIVSA-N 2 2 280.416 0.970 20 0 CCADLP C[C@@H]1CN(Cc2[nH+]ccn2C)CC[N@@H+]1CC(C)(C)O ZINC000189880318 388975824 /nfs/dbraw/zinc/97/58/24/388975824.db2.gz ITRXTUOJIKGEJA-GFCCVEGCSA-N 2 2 266.389 0.697 20 0 CCADLP C[C@@H]1CN(Cc2[nH+]ccn2C)CC[N@H+]1CC(C)(C)O ZINC000189880318 388975826 /nfs/dbraw/zinc/97/58/26/388975826.db2.gz ITRXTUOJIKGEJA-GFCCVEGCSA-N 2 2 266.389 0.697 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000189733083 388971298 /nfs/dbraw/zinc/97/12/98/388971298.db2.gz GESOFQTUKHHORI-AWEZNQCLSA-N 2 2 283.416 0.243 20 0 CCADLP C([C@@H]1CCC[N@@H+]([C@H]2CCOC2)C1)[NH+]1CCOCC1 ZINC000336732342 389016271 /nfs/dbraw/zinc/01/62/71/389016271.db2.gz SBWWNRSITPEMJF-KBPBESRZSA-N 2 2 254.374 0.820 20 0 CCADLP C([C@@H]1CCC[N@H+]([C@H]2CCOC2)C1)[NH+]1CCOCC1 ZINC000336732342 389016273 /nfs/dbraw/zinc/01/62/73/389016273.db2.gz SBWWNRSITPEMJF-KBPBESRZSA-N 2 2 254.374 0.820 20 0 CCADLP NC(=O)C[NH+]1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000301267183 389049495 /nfs/dbraw/zinc/04/94/95/389049495.db2.gz MOUVXXFHLDIJCD-UHFFFAOYSA-N 2 2 288.326 0.981 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCCCn1cc[nH+]c1 ZINC000192894070 389057245 /nfs/dbraw/zinc/05/72/45/389057245.db2.gz XTQODTPENZWLAP-CYBMUJFWSA-N 2 2 295.387 0.293 20 0 CCADLP C[C@@H]1C[N@H+](CCN2C[C@@H](C)[NH+](C)C[C@H]2C)CCO1 ZINC000337320944 389059267 /nfs/dbraw/zinc/05/92/67/389059267.db2.gz PNIHQJIGZALRTP-MGPQQGTHSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2C[C@@H](C)[NH+](C)C[C@H]2C)CCO1 ZINC000337320944 389059268 /nfs/dbraw/zinc/05/92/68/389059268.db2.gz PNIHQJIGZALRTP-MGPQQGTHSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1C[NH+](CCN2C[C@@H](C)[N@H+](C)C[C@H]2C)CCO1 ZINC000337320944 389059269 /nfs/dbraw/zinc/05/92/69/389059269.db2.gz PNIHQJIGZALRTP-MGPQQGTHSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1C[NH+](CCN2C[C@@H](C)[N@@H+](C)C[C@H]2C)CCO1 ZINC000337320944 389059270 /nfs/dbraw/zinc/05/92/70/389059270.db2.gz PNIHQJIGZALRTP-MGPQQGTHSA-N 2 2 255.406 0.732 20 0 CCADLP Cc1cc(N2CC[N@H+](CCO)C(C)(C)C2)nc(C)[nH+]1 ZINC000302540109 389072877 /nfs/dbraw/zinc/07/28/77/389072877.db2.gz NOWZJTOBCHTJPB-UHFFFAOYSA-N 2 2 264.373 0.986 20 0 CCADLP Cc1cc(N2CC[N@@H+](CCO)C(C)(C)C2)nc(C)[nH+]1 ZINC000302540109 389072879 /nfs/dbraw/zinc/07/28/79/389072879.db2.gz NOWZJTOBCHTJPB-UHFFFAOYSA-N 2 2 264.373 0.986 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCOCC2)CC[N@H+]1C ZINC000338174508 389084093 /nfs/dbraw/zinc/08/40/93/389084093.db2.gz LXQJIFWINJLQKQ-STQMWFEESA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107576160 389097073 /nfs/dbraw/zinc/09/70/73/389097073.db2.gz IJNRSHUIMQTPCU-SYQHCUMBSA-N 2 2 265.401 0.927 20 0 CCADLP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107576160 389097077 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CC(C)CCNC(=O)[C@@H](C)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313400072 389113898 /nfs/dbraw/zinc/11/38/98/389113898.db2.gz SIZDNJZRMWSPTP-OLZOCXBDSA-N 2 2 271.405 0.587 20 0 CCADLP CCCC[N@H+](C)CCNC(=O)NCCn1cc[nH+]c1 ZINC000112429876 389126199 /nfs/dbraw/zinc/12/61/99/389126199.db2.gz OAUDAFUZKGKSBS-UHFFFAOYSA-N 2 2 267.377 0.914 20 0 CCADLP CCCC[N@@H+](C)CCNC(=O)NCCn1cc[nH+]c1 ZINC000112429876 389126200 /nfs/dbraw/zinc/12/62/00/389126200.db2.gz OAUDAFUZKGKSBS-UHFFFAOYSA-N 2 2 267.377 0.914 20 0 CCADLP CN(C)C(=O)CC[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000328344776 389127982 /nfs/dbraw/zinc/12/79/82/389127982.db2.gz LUMOQIJLKQCOQU-UONOGXRCSA-N 2 2 261.369 0.891 20 0 CCADLP CN(C)C(=O)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000328344776 389127984 /nfs/dbraw/zinc/12/79/84/389127984.db2.gz LUMOQIJLKQCOQU-UONOGXRCSA-N 2 2 261.369 0.891 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H](C)[C@H]2C)C1 ZINC000339568495 389135915 /nfs/dbraw/zinc/13/59/15/389135915.db2.gz IYRAGRXDAOZOPS-RRFJBIMHSA-N 2 2 297.443 0.800 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H](C)[C@H]2C)C1 ZINC000339568495 389135918 /nfs/dbraw/zinc/13/59/18/389135918.db2.gz IYRAGRXDAOZOPS-RRFJBIMHSA-N 2 2 297.443 0.800 20 0 CCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@H](C)[C@H]2C)C1 ZINC000339568495 389135922 /nfs/dbraw/zinc/13/59/22/389135922.db2.gz IYRAGRXDAOZOPS-RRFJBIMHSA-N 2 2 297.443 0.800 20 0 CCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@H](C)[C@H]2C)C1 ZINC000339568495 389135926 /nfs/dbraw/zinc/13/59/26/389135926.db2.gz IYRAGRXDAOZOPS-RRFJBIMHSA-N 2 2 297.443 0.800 20 0 CCADLP CC[NH2+]CCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000236999060 389179789 /nfs/dbraw/zinc/17/97/89/389179789.db2.gz UXVAOURXADLIJY-UHFFFAOYSA-N 2 2 291.395 0.858 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+](C)[C@@H]2CCSC2)C[C@@H](C)[NH+]1C ZINC000358685539 389158032 /nfs/dbraw/zinc/15/80/32/389158032.db2.gz MDCYEKYCUUHVPS-JHJVBQTASA-N 2 2 285.457 0.975 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)C[C@@H](C)[NH+]1C ZINC000358685539 389158035 /nfs/dbraw/zinc/15/80/35/389158035.db2.gz MDCYEKYCUUHVPS-JHJVBQTASA-N 2 2 285.457 0.975 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H](CO)C1CCOCC1 ZINC000360806293 389204096 /nfs/dbraw/zinc/20/40/96/389204096.db2.gz MYRBVZLIESRPLO-UGFHNGPFSA-N 2 2 268.401 0.846 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H](CO)C1CCOCC1 ZINC000360806293 389204098 /nfs/dbraw/zinc/20/40/98/389204098.db2.gz MYRBVZLIESRPLO-UGFHNGPFSA-N 2 2 268.401 0.846 20 0 CCADLP C[C@H](O)C[C@@H]1CCCCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000124222227 389159928 /nfs/dbraw/zinc/15/99/28/389159928.db2.gz XJWRERQWAKDAQT-GJZGRUSLSA-N 2 2 297.443 0.776 20 0 CCADLP C[C@H](O)C[C@@H]1CCCCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000124222227 389159931 /nfs/dbraw/zinc/15/99/31/389159931.db2.gz XJWRERQWAKDAQT-GJZGRUSLSA-N 2 2 297.443 0.776 20 0 CCADLP CCCn1cc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000233421782 389163050 /nfs/dbraw/zinc/16/30/50/389163050.db2.gz JIGAOYVNPHCFBX-ZDUSSCGKSA-N 2 2 251.378 0.368 20 0 CCADLP CCCn1cc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000233421782 389163051 /nfs/dbraw/zinc/16/30/51/389163051.db2.gz JIGAOYVNPHCFBX-ZDUSSCGKSA-N 2 2 251.378 0.368 20 0 CCADLP CC(C)(C[NH3+])C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000236615398 389169264 /nfs/dbraw/zinc/16/92/64/389169264.db2.gz BGKUXWPIQZPGSZ-UHFFFAOYSA-N 2 2 292.383 0.519 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000340987671 389175736 /nfs/dbraw/zinc/17/57/36/389175736.db2.gz PLXSTUHVQGUOMM-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000340987671 389175739 /nfs/dbraw/zinc/17/57/39/389175739.db2.gz PLXSTUHVQGUOMM-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000362818196 389241964 /nfs/dbraw/zinc/24/19/64/389241964.db2.gz SFDAJZIRLWWAMI-MGPQQGTHSA-N 2 2 281.400 0.117 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000362818196 389241966 /nfs/dbraw/zinc/24/19/66/389241966.db2.gz SFDAJZIRLWWAMI-MGPQQGTHSA-N 2 2 281.400 0.117 20 0 CCADLP C[C@H]([C@H](C)NC(=O)NC[C@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000417519262 299605225 /nfs/dbraw/zinc/60/52/25/299605225.db2.gz MCXMZXAUBMZMMZ-YNEHKIRRSA-N 2 2 284.404 0.147 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000342702830 389245008 /nfs/dbraw/zinc/24/50/08/389245008.db2.gz ZRZWANOPKRGKDB-RWMBFGLXSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000342702830 389245009 /nfs/dbraw/zinc/24/50/09/389245009.db2.gz ZRZWANOPKRGKDB-RWMBFGLXSA-N 2 2 269.389 0.211 20 0 CCADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](CC(=O)NC(N)=O)C2)CC1 ZINC000363379733 389247277 /nfs/dbraw/zinc/24/72/77/389247277.db2.gz WDBYLSXUSAQKLP-ZDUSSCGKSA-N 2 2 296.415 0.625 20 0 CCADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC(=O)NC(N)=O)C2)CC1 ZINC000363379733 389247278 /nfs/dbraw/zinc/24/72/78/389247278.db2.gz WDBYLSXUSAQKLP-ZDUSSCGKSA-N 2 2 296.415 0.625 20 0 CCADLP Cc1c[nH+]cn1C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000364367854 389258781 /nfs/dbraw/zinc/25/87/81/389258781.db2.gz FSDLXMZLTINBOP-AWEZNQCLSA-N 2 2 292.383 0.686 20 0 CCADLP Cc1c[nH+]cn1C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000364367854 389258782 /nfs/dbraw/zinc/25/87/82/389258782.db2.gz FSDLXMZLTINBOP-AWEZNQCLSA-N 2 2 292.383 0.686 20 0 CCADLP COCCOC[C@@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000131503672 389214735 /nfs/dbraw/zinc/21/47/35/389214735.db2.gz SRFIDETVQWRHRH-CYBMUJFWSA-N 2 2 253.346 0.868 20 0 CCADLP COCCOC[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000131503672 389214739 /nfs/dbraw/zinc/21/47/39/389214739.db2.gz SRFIDETVQWRHRH-CYBMUJFWSA-N 2 2 253.346 0.868 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N(C)C2)C[N@@H+]1C1CC1 ZINC000131679340 389216543 /nfs/dbraw/zinc/21/65/43/389216543.db2.gz HISGNCOWITWMPF-UTUOFQBUSA-N 2 2 251.374 0.822 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N(C)C2)C[N@H+]1C1CC1 ZINC000131679340 389216548 /nfs/dbraw/zinc/21/65/48/389216548.db2.gz HISGNCOWITWMPF-UTUOFQBUSA-N 2 2 251.374 0.822 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+]CCCNC(C)=O)CC1 ZINC000342558874 389220775 /nfs/dbraw/zinc/22/07/75/389220775.db2.gz RJKMXYHISQAGJM-UHFFFAOYSA-N 2 2 299.415 0.520 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246201007 389225211 /nfs/dbraw/zinc/22/52/11/389225211.db2.gz VZXHTMWMNMYPKS-RYUDHWBXSA-N 2 2 284.404 0.494 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246201007 389225212 /nfs/dbraw/zinc/22/52/12/389225212.db2.gz VZXHTMWMNMYPKS-RYUDHWBXSA-N 2 2 284.404 0.494 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246201007 389225214 /nfs/dbraw/zinc/22/52/14/389225214.db2.gz VZXHTMWMNMYPKS-RYUDHWBXSA-N 2 2 284.404 0.494 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246201007 389225217 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Cn1cc[nH+]c1CNC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000264247793 389315396 /nfs/dbraw/zinc/31/53/96/389315396.db2.gz YFHIPRFQWGTMIT-UHFFFAOYSA-N 2 2 277.372 0.657 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CC(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC000156138320 389323041 /nfs/dbraw/zinc/32/30/41/389323041.db2.gz UCALBBNQPYHJFK-DTWKUNHWSA-N 2 2 267.295 0.737 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CC(=O)NCC(F)(F)F)CC[N@H+]1C ZINC000156138320 389323043 /nfs/dbraw/zinc/32/30/43/389323043.db2.gz UCALBBNQPYHJFK-DTWKUNHWSA-N 2 2 267.295 0.737 20 0 CCADLP CS(=O)(=O)[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261549606 389271390 /nfs/dbraw/zinc/27/13/90/389271390.db2.gz KRRMMJONQARUNU-RYUDHWBXSA-N 2 2 260.403 0.495 20 0 CCADLP CS(=O)(=O)[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261549606 389271393 /nfs/dbraw/zinc/27/13/93/389271393.db2.gz KRRMMJONQARUNU-RYUDHWBXSA-N 2 2 260.403 0.495 20 0 CCADLP COCCCNC(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000364868443 389273539 /nfs/dbraw/zinc/27/35/39/389273539.db2.gz YNXHSBFRECNAQD-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP COCCCNC(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000364868443 389273541 /nfs/dbraw/zinc/27/35/41/389273541.db2.gz YNXHSBFRECNAQD-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000262150796 389282189 /nfs/dbraw/zinc/28/21/89/389282189.db2.gz HTMOEGHDDRANSB-AGIUHOORSA-N 2 2 267.373 0.060 20 0 CCADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000262150796 389282190 /nfs/dbraw/zinc/28/21/90/389282190.db2.gz HTMOEGHDDRANSB-AGIUHOORSA-N 2 2 267.373 0.060 20 0 CCADLP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)C[NH+]1CCOCC1 ZINC000153147889 389295472 /nfs/dbraw/zinc/29/54/72/389295472.db2.gz HWKYUVUBGJSEOV-MELADBBJSA-N 2 2 256.390 0.969 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+](CC(=O)N(C)C)CC2)c1 ZINC000264150121 389308934 /nfs/dbraw/zinc/30/89/34/389308934.db2.gz CRAAJOFCXZJCLH-UHFFFAOYSA-N 2 2 278.356 0.300 20 0 CCADLP Cn1cc[nH+]c1CN1CC[NH+](CCC2(O)CCC2)CC1 ZINC000411116142 389416332 /nfs/dbraw/zinc/41/63/32/389416332.db2.gz OIBCNQLNTYRQHJ-UHFFFAOYSA-N 2 2 278.400 0.843 20 0 CCADLP CCOCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369269015 389392143 /nfs/dbraw/zinc/39/21/43/389392143.db2.gz VCBRLKORNROLDQ-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP CCOCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369269015 389392146 /nfs/dbraw/zinc/39/21/46/389392146.db2.gz VCBRLKORNROLDQ-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP CNC(=O)C[C@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000269022859 389399265 /nfs/dbraw/zinc/39/92/65/389399265.db2.gz BYRRJSHTIXICRM-NSHDSACASA-N 2 2 250.346 0.998 20 0 CCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000349131654 389405415 /nfs/dbraw/zinc/40/54/15/389405415.db2.gz QSKBARIMTNDDEJ-LSDHHAIUSA-N 2 2 296.459 0.421 20 0 CCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000349131654 389405416 /nfs/dbraw/zinc/40/54/16/389405416.db2.gz QSKBARIMTNDDEJ-LSDHHAIUSA-N 2 2 296.459 0.421 20 0 CCADLP Cc1cc(CNC(=O)NC[C@](C)(O)C[NH+](C)C)cc(C)[nH+]1 ZINC000422206996 389407397 /nfs/dbraw/zinc/40/73/97/389407397.db2.gz LRLHVHLOQMYORW-HNNXBMFYSA-N 2 2 294.399 0.810 20 0 CCADLP COC(C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)OC ZINC000162011252 389412912 /nfs/dbraw/zinc/41/29/12/389412912.db2.gz VHIAFCVPBACPFP-GFCCVEGCSA-N 2 2 285.388 0.019 20 0 CCADLP COC(C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1)OC ZINC000162011252 389412916 /nfs/dbraw/zinc/41/29/16/389412916.db2.gz VHIAFCVPBACPFP-GFCCVEGCSA-N 2 2 285.388 0.019 20 0 CCADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)NC[C@@H]3CCCO3)CC[C@@H]21 ZINC000158740826 389350436 /nfs/dbraw/zinc/35/04/36/389350436.db2.gz MGLNMODGNLILPC-KKUMJFAQSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)NC[C@@H]3CCCO3)CC[C@@H]21 ZINC000158740826 389350440 /nfs/dbraw/zinc/35/04/40/389350440.db2.gz MGLNMODGNLILPC-KKUMJFAQSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)NC[C@@H]3CCCO3)CC[C@@H]21 ZINC000158740826 389350446 /nfs/dbraw/zinc/35/04/46/389350446.db2.gz MGLNMODGNLILPC-KKUMJFAQSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)NC[C@@H]3CCCO3)CC[C@@H]21 ZINC000158740826 389350450 /nfs/dbraw/zinc/35/04/50/389350450.db2.gz MGLNMODGNLILPC-KKUMJFAQSA-N 2 2 295.427 0.698 20 0 CCADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000347716459 389356493 /nfs/dbraw/zinc/35/64/93/389356493.db2.gz KBJYVKXAWQVBSD-LSDHHAIUSA-N 2 2 297.443 0.753 20 0 CCADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000347716459 389356496 /nfs/dbraw/zinc/35/64/96/389356496.db2.gz KBJYVKXAWQVBSD-LSDHHAIUSA-N 2 2 297.443 0.753 20 0 CCADLP O=C1OC[C@H]2C[N@H+](CCCn3cc[nH+]c3)CCN12 ZINC000367766693 389357096 /nfs/dbraw/zinc/35/70/96/389357096.db2.gz DIFYKPPOVBVHME-LLVKDONJSA-N 2 2 250.302 0.410 20 0 CCADLP O=C1OC[C@H]2C[N@@H+](CCCn3cc[nH+]c3)CCN12 ZINC000367766693 389357097 /nfs/dbraw/zinc/35/70/97/389357097.db2.gz DIFYKPPOVBVHME-LLVKDONJSA-N 2 2 250.302 0.410 20 0 CCADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1cnc(N(C)C)nc1 ZINC000347773012 389357486 /nfs/dbraw/zinc/35/74/86/389357486.db2.gz JBITWKWJVOAPNR-CYBMUJFWSA-N 2 2 293.415 0.743 20 0 CCADLP CC(C)[N@@H+](Cc1cccc2[nH+]ccn21)C[C@H](O)CO ZINC000421403542 389362818 /nfs/dbraw/zinc/36/28/18/389362818.db2.gz FNIPTJGSCDYGFU-ZDUSSCGKSA-N 2 2 263.341 0.898 20 0 CCADLP CC(C)[N@H+](Cc1cccc2[nH+]ccn21)C[C@H](O)CO ZINC000421403542 389362822 /nfs/dbraw/zinc/36/28/22/389362822.db2.gz FNIPTJGSCDYGFU-ZDUSSCGKSA-N 2 2 263.341 0.898 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC000266273659 389365723 /nfs/dbraw/zinc/36/57/23/389365723.db2.gz YBOBLZTUIZSJOF-CHWSQXEVSA-N 2 2 280.372 0.187 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC000266273659 389365727 /nfs/dbraw/zinc/36/57/27/389365727.db2.gz YBOBLZTUIZSJOF-CHWSQXEVSA-N 2 2 280.372 0.187 20 0 CCADLP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000422862446 389493798 /nfs/dbraw/zinc/49/37/98/389493798.db2.gz KGICAOSKWHIMRP-QLFBSQMISA-N 3 2 287.448 0.700 20 0 CCADLP CC[NH2+]CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000422777957 389472881 /nfs/dbraw/zinc/47/28/81/389472881.db2.gz DCJFHQQZHVHNGY-ZDUSSCGKSA-N 2 2 269.389 0.356 20 0 CCADLP CC[NH2+]CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000422777957 389472882 /nfs/dbraw/zinc/47/28/82/389472882.db2.gz DCJFHQQZHVHNGY-ZDUSSCGKSA-N 2 2 269.389 0.356 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2cn[nH]c2)CC1 ZINC000274062748 389481474 /nfs/dbraw/zinc/48/14/74/389481474.db2.gz PBAHKCBZUCJBJL-RYUDHWBXSA-N 2 2 279.388 0.613 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@H](CC(C)C)[NH+](C)C ZINC000422821393 389482797 /nfs/dbraw/zinc/48/27/97/389482797.db2.gz VYBBGVASBJBSDA-BFHYXJOUSA-N 2 2 285.432 0.846 20 0 CCADLP Cc1nocc1C[N@@H+](CCO)C1CC[NH+](C)CC1 ZINC000350121151 389489671 /nfs/dbraw/zinc/48/96/71/389489671.db2.gz KDZADYHDAFICMF-UHFFFAOYSA-N 2 2 253.346 0.872 20 0 CCADLP Cc1nocc1C[N@H+](CCO)C1CC[NH+](C)CC1 ZINC000350121151 389489676 /nfs/dbraw/zinc/48/96/76/389489676.db2.gz KDZADYHDAFICMF-UHFFFAOYSA-N 2 2 253.346 0.872 20 0 CCADLP CC[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)C(=O)N1CCOCC1 ZINC000422846053 389489846 /nfs/dbraw/zinc/48/98/46/389489846.db2.gz DQNSGKJWUFXNFK-JHJVBQTASA-N 2 2 269.389 0.354 20 0 CCADLP CC(C)[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)C(=O)N1CCOCC1 ZINC000422848003 389490504 /nfs/dbraw/zinc/49/05/04/389490504.db2.gz JCTKORVPVKSDKZ-BFHYXJOUSA-N 2 2 283.416 0.600 20 0 CCADLP CCCNC(=O)CCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000411315230 389425065 /nfs/dbraw/zinc/42/50/65/389425065.db2.gz SXGIIIOLFMFLAS-OAHLLOKOSA-N 2 2 297.443 0.947 20 0 CCADLP CCCNC(=O)CCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000411315230 389425068 /nfs/dbraw/zinc/42/50/68/389425068.db2.gz SXGIIIOLFMFLAS-OAHLLOKOSA-N 2 2 297.443 0.947 20 0 CCADLP CC(C)N(C)C(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000411395748 389426834 /nfs/dbraw/zinc/42/68/34/389426834.db2.gz DRIORCBQQOXUFW-UHFFFAOYSA-N 2 2 279.388 0.409 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN2C(=O)OC[C@H]2C1 ZINC000371197123 389428835 /nfs/dbraw/zinc/42/88/35/389428835.db2.gz HDJPWICEESUSHX-VXGBXAGGSA-N 2 2 253.346 0.607 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN2C(=O)OC[C@H]2C1 ZINC000371197123 389428839 /nfs/dbraw/zinc/42/88/39/389428839.db2.gz HDJPWICEESUSHX-VXGBXAGGSA-N 2 2 253.346 0.607 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000371197123 389428840 /nfs/dbraw/zinc/42/88/40/389428840.db2.gz HDJPWICEESUSHX-VXGBXAGGSA-N 2 2 253.346 0.607 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000371197123 389428843 /nfs/dbraw/zinc/42/88/43/389428843.db2.gz HDJPWICEESUSHX-VXGBXAGGSA-N 2 2 253.346 0.607 20 0 CCADLP Cc1c(Cl)c(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)nn1C ZINC000422555333 389440151 /nfs/dbraw/zinc/44/01/51/389440151.db2.gz PDJAPXFFRDYSFB-GFCCVEGCSA-N 2 2 297.834 0.861 20 0 CCADLP Cc1c(Cl)c(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)nn1C ZINC000422555333 389440156 /nfs/dbraw/zinc/44/01/56/389440156.db2.gz PDJAPXFFRDYSFB-GFCCVEGCSA-N 2 2 297.834 0.861 20 0 CCADLP C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)C[C@@H]1n1cc[nH+]c1 ZINC000333753353 389442586 /nfs/dbraw/zinc/44/25/86/389442586.db2.gz ZIWOWDVMCHZFTE-UPJWGTAASA-N 2 2 277.372 0.838 20 0 CCADLP CC(C)(CC[NH3+])NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000422596033 389444329 /nfs/dbraw/zinc/44/43/29/389444329.db2.gz XNAGPILDLWXDBX-UHFFFAOYSA-N 2 2 286.420 0.524 20 0 CCADLP CC(C)(CC[NH3+])NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000422621034 389447910 /nfs/dbraw/zinc/44/79/10/389447910.db2.gz PKTTXMGUBQBGNF-UHFFFAOYSA-N 2 2 284.404 0.278 20 0 CCADLP C[C@@]1(F)C[NH2+]CCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000333926502 389449309 /nfs/dbraw/zinc/44/93/09/389449309.db2.gz VLVRFQMVBHIMOV-CQSZACIVSA-N 2 2 295.362 0.451 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCN(C)CC(F)(F)F ZINC000422701397 389453924 /nfs/dbraw/zinc/45/39/24/389453924.db2.gz BUTXQQTXIRGTER-GHMZBOCLSA-N 2 2 283.338 0.837 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000170628828 389457391 /nfs/dbraw/zinc/45/73/91/389457391.db2.gz WUOWTCYAQNRGAP-UHFFFAOYSA-N 2 2 271.405 0.554 20 0 CCADLP CC(C)[NH+](C)CC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000170628828 389457397 /nfs/dbraw/zinc/45/73/97/389457397.db2.gz WUOWTCYAQNRGAP-UHFFFAOYSA-N 2 2 271.405 0.554 20 0 CCADLP CC(C)[NH+](C)CC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000170628828 389457400 /nfs/dbraw/zinc/45/74/00/389457400.db2.gz WUOWTCYAQNRGAP-UHFFFAOYSA-N 2 2 271.405 0.554 20 0 CCADLP Cc1[nH+]ccn1CCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422713782 389457924 /nfs/dbraw/zinc/45/79/24/389457924.db2.gz HXMKQZSJSNGVHB-CABCVRRESA-N 3 2 278.400 0.938 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CCCCO)CC1 ZINC000349916721 389460231 /nfs/dbraw/zinc/46/02/31/389460231.db2.gz XGTSYVKLEGZVEN-CYBMUJFWSA-N 2 2 271.405 0.243 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CCCCO)CC1 ZINC000349916721 389460235 /nfs/dbraw/zinc/46/02/35/389460235.db2.gz XGTSYVKLEGZVEN-CYBMUJFWSA-N 2 2 271.405 0.243 20 0 CCADLP CCN(CC)C(=O)CCC[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422954028 389510357 /nfs/dbraw/zinc/51/03/57/389510357.db2.gz GWWSBGXCCVZUFZ-ZIAGYGMSSA-N 2 2 285.432 0.992 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)CC[C@@H](C)O)CC1 ZINC000173823964 389510648 /nfs/dbraw/zinc/51/06/48/389510648.db2.gz FCHNKVXJPMIKLL-CHWSQXEVSA-N 2 2 271.405 0.242 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)CC[C@@H](C)O)CC1 ZINC000173823964 389510649 /nfs/dbraw/zinc/51/06/49/389510649.db2.gz FCHNKVXJPMIKLL-CHWSQXEVSA-N 2 2 271.405 0.242 20 0 CCADLP c1cc(CC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)ccn1 ZINC000423003116 389520708 /nfs/dbraw/zinc/52/07/08/389520708.db2.gz GZIORVGDNGUDGD-HUUCEWRRSA-N 2 2 261.369 0.981 20 0 CCADLP CC[C@@H](C(=O)OC)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174717940 389528646 /nfs/dbraw/zinc/52/86/46/389528646.db2.gz DAHQKPUYMDXFMM-ZDUSSCGKSA-N 2 2 271.405 0.507 20 0 CCADLP CC[C@@H](C(=O)OC)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174717940 389528648 /nfs/dbraw/zinc/52/86/48/389528648.db2.gz DAHQKPUYMDXFMM-ZDUSSCGKSA-N 2 2 271.405 0.507 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(N2CCOCC2)CC1 ZINC000423070539 389529844 /nfs/dbraw/zinc/52/98/44/389529844.db2.gz CZQYEUSRORAQSL-ZIAGYGMSSA-N 2 2 283.416 0.208 20 0 CCADLP CCNC(=O)C1(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CCC1 ZINC000423081896 389531792 /nfs/dbraw/zinc/53/17/92/389531792.db2.gz VYGNXSDGRCOPLZ-UONOGXRCSA-N 2 2 295.427 0.649 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCCN(c2ccnn2C)C1 ZINC000423091933 389532413 /nfs/dbraw/zinc/53/24/13/389532413.db2.gz ZQMLMYJAHCILRE-MCIONIFRSA-N 2 2 277.416 0.977 20 0 CCADLP C[C@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000423112865 389536149 /nfs/dbraw/zinc/53/61/49/389536149.db2.gz SNYPYOPMXRHXHP-TUAOUCFPSA-N 2 2 295.349 0.980 20 0 CCADLP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423255710 389557201 /nfs/dbraw/zinc/55/72/01/389557201.db2.gz ANZDEPXVZAFGHD-NWANDNLSSA-N 3 2 267.417 0.733 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000422878390 389498285 /nfs/dbraw/zinc/49/82/85/389498285.db2.gz STWYLAQAXJCBKH-JLNYLFASSA-N 2 2 267.417 0.826 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000351188551 389567977 /nfs/dbraw/zinc/56/79/77/389567977.db2.gz YCOOSDIXVVZZJQ-STQMWFEESA-N 2 2 289.445 0.484 20 0 CCADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000351188551 389567984 /nfs/dbraw/zinc/56/79/84/389567984.db2.gz YCOOSDIXVVZZJQ-STQMWFEESA-N 2 2 289.445 0.484 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000351188551 389567989 /nfs/dbraw/zinc/56/79/89/389567989.db2.gz YCOOSDIXVVZZJQ-STQMWFEESA-N 2 2 289.445 0.484 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000351188551 389567992 /nfs/dbraw/zinc/56/79/92/389567992.db2.gz YCOOSDIXVVZZJQ-STQMWFEESA-N 2 2 289.445 0.484 20 0 CCADLP COC[C@@]1(C[NH2+]Cc2ccc(C(N)=O)cc2)CCC[NH2+]1 ZINC000414944416 389646840 /nfs/dbraw/zinc/64/68/40/389646840.db2.gz OAGRJPUMZJLIQP-HNNXBMFYSA-N 2 2 277.368 0.644 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCCN2CCCCC2=O)n1C ZINC000414341196 389612535 /nfs/dbraw/zinc/61/25/35/389612535.db2.gz OFGRDZDERSTGBW-UHFFFAOYSA-N 2 2 293.415 0.978 20 0 CCADLP CC(C)OC[C@H](CO)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351649598 389647048 /nfs/dbraw/zinc/64/70/48/389647048.db2.gz NKMGVOYIUGTNKM-UONOGXRCSA-N 2 2 274.405 0.159 20 0 CCADLP CC(C)OC[C@H](CO)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351649598 389647051 /nfs/dbraw/zinc/64/70/51/389647051.db2.gz NKMGVOYIUGTNKM-UONOGXRCSA-N 2 2 274.405 0.159 20 0 CCADLP CC(C)OC[C@H](CO)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351649598 389647056 /nfs/dbraw/zinc/64/70/56/389647056.db2.gz NKMGVOYIUGTNKM-UONOGXRCSA-N 2 2 274.405 0.159 20 0 CCADLP CC(C)OC[C@H](CO)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351649598 389647063 /nfs/dbraw/zinc/64/70/63/389647063.db2.gz NKMGVOYIUGTNKM-UONOGXRCSA-N 2 2 274.405 0.159 20 0 CCADLP O=C([C@H]1C[NH2+]CCO1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000424199441 389621341 /nfs/dbraw/zinc/62/13/41/389621341.db2.gz YSUITQGVKCLJIM-GHMZBOCLSA-N 2 2 264.329 0.452 20 0 CCADLP Cc1c([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cnn1C ZINC000351591511 389624541 /nfs/dbraw/zinc/62/45/41/389624541.db2.gz FJZLPXRHFRJNGS-MFKMUULPSA-N 2 2 266.389 0.834 20 0 CCADLP Cc1c([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cnn1C ZINC000351591511 389624544 /nfs/dbraw/zinc/62/45/44/389624544.db2.gz FJZLPXRHFRJNGS-MFKMUULPSA-N 2 2 266.389 0.834 20 0 CCADLP CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)CCC[NH3+])C1 ZINC000414686352 389627514 /nfs/dbraw/zinc/62/75/14/389627514.db2.gz AFZZHRVSWVKEEM-LBPRGKRZSA-N 2 2 285.388 0.069 20 0 CCADLP CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)CCC[NH3+])C1 ZINC000414686352 389627518 /nfs/dbraw/zinc/62/75/18/389627518.db2.gz AFZZHRVSWVKEEM-LBPRGKRZSA-N 2 2 285.388 0.069 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000414701637 389628011 /nfs/dbraw/zinc/62/80/11/389628011.db2.gz ATHQFDULAMGZNG-KGLIPLIRSA-N 3 2 282.432 0.256 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000414701637 389628016 /nfs/dbraw/zinc/62/80/16/389628016.db2.gz ATHQFDULAMGZNG-KGLIPLIRSA-N 3 2 282.432 0.256 20 0 CCADLP C[C@@H]1C[C@H](C[NH+]2CCN(Cc3[nH+]ccn3C)CC2)CC[NH2+]1 ZINC000414700553 389628063 /nfs/dbraw/zinc/62/80/63/389628063.db2.gz TUNVEYDTNNIJDT-HUUCEWRRSA-N 3 2 291.443 0.926 20 0 CCADLP COCCCn1nccc1C[NH2+]C[C@@H]([NH3+])C(C)C ZINC000414793268 389637585 /nfs/dbraw/zinc/63/75/85/389637585.db2.gz KBHHJYYXDRRFFL-CYBMUJFWSA-N 2 2 254.378 0.993 20 0 CCADLP COCCN(C)c1ccc(C[NH2+][C@H](C[NH3+])C2CC2)cn1 ZINC000414815705 389638860 /nfs/dbraw/zinc/63/88/60/389638860.db2.gz UQLVNTXTAUARHW-CQSZACIVSA-N 2 2 278.400 0.991 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000281984631 389642814 /nfs/dbraw/zinc/64/28/14/389642814.db2.gz CDDQUTVLFUAGIJ-NSHDSACASA-N 2 2 250.346 0.744 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000281984631 389642821 /nfs/dbraw/zinc/64/28/21/389642821.db2.gz CDDQUTVLFUAGIJ-NSHDSACASA-N 2 2 250.346 0.744 20 0 CCADLP C[C@H]1CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)[C@@H]1CO ZINC000425330474 389644689 /nfs/dbraw/zinc/64/46/89/389644689.db2.gz ATQYCBQZNZGYIL-CMPLNLGQSA-N 2 2 252.362 0.689 20 0 CCADLP C[C@H]1CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)[C@@H]1CO ZINC000425330474 389644691 /nfs/dbraw/zinc/64/46/91/389644691.db2.gz ATQYCBQZNZGYIL-CMPLNLGQSA-N 2 2 252.362 0.689 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](CCO)C[C@H]1C)[NH+]1[C@H](C)CC[C@H]1C ZINC000413859129 389572586 /nfs/dbraw/zinc/57/25/86/389572586.db2.gz JZXTXSDYBVRGQL-TUVASFSCSA-N 2 2 297.443 0.773 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](CCO)C[C@H]1C)[NH+]1[C@H](C)CC[C@H]1C ZINC000413859129 389572590 /nfs/dbraw/zinc/57/25/90/389572590.db2.gz JZXTXSDYBVRGQL-TUVASFSCSA-N 2 2 297.443 0.773 20 0 CCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335549161 389574356 /nfs/dbraw/zinc/57/43/56/389574356.db2.gz RIPKEUUMJSPGOQ-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP CCCNC(=O)C1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351346350 389575645 /nfs/dbraw/zinc/57/56/45/389575645.db2.gz YTIGTEWVZNZWLI-OAHLLOKOSA-N 2 2 297.443 0.680 20 0 CCADLP CCCNC(=O)C1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351346350 389575648 /nfs/dbraw/zinc/57/56/48/389575648.db2.gz YTIGTEWVZNZWLI-OAHLLOKOSA-N 2 2 297.443 0.680 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000279436937 389576137 /nfs/dbraw/zinc/57/61/37/389576137.db2.gz MYCURGZBTJTDGP-ZDUSSCGKSA-N 2 2 292.383 0.441 20 0 CCADLP COC(=O)[C@H](C)Oc1ccc(C[N@H+](CC[NH3+])CCO)cc1 ZINC000414907863 389645037 /nfs/dbraw/zinc/64/50/37/389645037.db2.gz DQYTUQGTDUTGOV-LBPRGKRZSA-N 2 2 296.367 0.380 20 0 CCADLP COC(=O)[C@H](C)Oc1ccc(C[N@@H+](CC[NH3+])CCO)cc1 ZINC000414907863 389645044 /nfs/dbraw/zinc/64/50/44/389645044.db2.gz DQYTUQGTDUTGOV-LBPRGKRZSA-N 2 2 296.367 0.380 20 0 CCADLP COc1coc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1=O ZINC000351477315 389586291 /nfs/dbraw/zinc/58/62/91/389586291.db2.gz NGNUQSHTMCVCQM-ZMLRMANQSA-N 2 2 264.325 0.818 20 0 CCADLP COc1coc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1=O ZINC000351477315 389586295 /nfs/dbraw/zinc/58/62/95/389586295.db2.gz NGNUQSHTMCVCQM-ZMLRMANQSA-N 2 2 264.325 0.818 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000279555080 389588257 /nfs/dbraw/zinc/58/82/57/389588257.db2.gz XZFACXVAVBOYGV-CYBMUJFWSA-N 2 2 292.383 0.584 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000423449120 389588881 /nfs/dbraw/zinc/58/88/81/389588881.db2.gz BZGWMGGEMFYLCQ-OLZOCXBDSA-N 2 2 291.399 0.442 20 0 CCADLP C[C@H](C[NH3+])CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000423443377 389588910 /nfs/dbraw/zinc/58/89/10/389588910.db2.gz AILYOLXWHBCXBN-YPMHNXCESA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H](C[NH3+])CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000423443377 389588915 /nfs/dbraw/zinc/58/89/15/389588915.db2.gz AILYOLXWHBCXBN-YPMHNXCESA-N 2 2 269.389 0.341 20 0 CCADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000423483566 389594351 /nfs/dbraw/zinc/59/43/51/389594351.db2.gz XYYSQKVJXABAJG-JQWIXIFHSA-N 2 2 285.413 0.983 20 0 CCADLP COC[C@@](C)(CC(=O)OC)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425335682 389646452 /nfs/dbraw/zinc/64/64/52/389646452.db2.gz IKXQPHWAJOVPFO-CQSZACIVSA-N 2 2 298.387 0.544 20 0 CCADLP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000428750480 389717444 /nfs/dbraw/zinc/71/74/44/389717444.db2.gz PWWVLSRLGOWXIB-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1cncc(Br)c1 ZINC000414976531 389651216 /nfs/dbraw/zinc/65/12/16/389651216.db2.gz OGOOOPCWCHAYBK-LBPRGKRZSA-N 2 2 299.216 0.837 20 0 CCADLP COc1cc2c(c(C[N@H+](C)C[C@@H](O)C[NH3+])c1)O[C@@H](C)C2 ZINC000415055444 389654169 /nfs/dbraw/zinc/65/41/69/389654169.db2.gz NAWAVXBBVMBXAZ-GWCFXTLKSA-N 2 2 280.368 0.770 20 0 CCADLP COc1cc2c(c(C[N@@H+](C)C[C@@H](O)C[NH3+])c1)O[C@@H](C)C2 ZINC000415055444 389654175 /nfs/dbraw/zinc/65/41/75/389654175.db2.gz NAWAVXBBVMBXAZ-GWCFXTLKSA-N 2 2 280.368 0.770 20 0 CCADLP COc1cc(OC)c(C[NH2+]C[C@@H]2C[NH2+]CCO2)c(OC)c1 ZINC000415096671 389658556 /nfs/dbraw/zinc/65/85/56/389658556.db2.gz QGAQBNWAUWGCAC-LBPRGKRZSA-N 2 2 296.367 0.790 20 0 CCADLP COC(=O)C[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351715883 389664922 /nfs/dbraw/zinc/66/49/22/389664922.db2.gz KWBVFXFHEYBFGQ-QWHCGFSZSA-N 2 2 270.373 0.469 20 0 CCADLP COC(=O)C[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351715883 389664923 /nfs/dbraw/zinc/66/49/23/389664923.db2.gz KWBVFXFHEYBFGQ-QWHCGFSZSA-N 2 2 270.373 0.469 20 0 CCADLP COC(=O)C[C@@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000351715883 389664925 /nfs/dbraw/zinc/66/49/25/389664925.db2.gz KWBVFXFHEYBFGQ-QWHCGFSZSA-N 2 2 270.373 0.469 20 0 CCADLP COC(=O)C[C@@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351715883 389664928 /nfs/dbraw/zinc/66/49/28/389664928.db2.gz KWBVFXFHEYBFGQ-QWHCGFSZSA-N 2 2 270.373 0.469 20 0 CCADLP COCCc1nc(C[N@H+](C)CCCn2cc[nH+]c2)no1 ZINC000351719133 389667080 /nfs/dbraw/zinc/66/70/80/389667080.db2.gz REVSQGCBUHFLHD-UHFFFAOYSA-N 2 2 279.344 0.977 20 0 CCADLP COCCc1nc(C[N@@H+](C)CCCn2cc[nH+]c2)no1 ZINC000351719133 389667081 /nfs/dbraw/zinc/66/70/81/389667081.db2.gz REVSQGCBUHFLHD-UHFFFAOYSA-N 2 2 279.344 0.977 20 0 CCADLP COC(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375904123 389723942 /nfs/dbraw/zinc/72/39/42/389723942.db2.gz JPBKLJIIJJDQSZ-CYBMUJFWSA-N 2 2 269.389 0.260 20 0 CCADLP COC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375904123 389723944 /nfs/dbraw/zinc/72/39/44/389723944.db2.gz JPBKLJIIJJDQSZ-CYBMUJFWSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@H](C(=O)N[C@H]1CCn2cc[nH+]c2C1)[NH+](C)C ZINC000428345050 389693675 /nfs/dbraw/zinc/69/36/75/389693675.db2.gz BGKRDRCPDRELRZ-WDEREUQCSA-N 2 2 250.346 0.654 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]CC1(OC)CCOCC1 ZINC000428862807 389724049 /nfs/dbraw/zinc/72/40/49/389724049.db2.gz VSCPZDRGBSHTMY-UHFFFAOYSA-N 2 2 260.378 0.086 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]CC1(OC)CCOCC1 ZINC000428862807 389724052 /nfs/dbraw/zinc/72/40/52/389724052.db2.gz VSCPZDRGBSHTMY-UHFFFAOYSA-N 2 2 260.378 0.086 20 0 CCADLP CC(C)[C@@H](C(=O)N[C@@H]1CCn2cc[nH+]c2C1)[NH+](C)C ZINC000428356306 389694386 /nfs/dbraw/zinc/69/43/86/389694386.db2.gz UEUKBXOXFLJDMM-YPMHNXCESA-N 2 2 264.373 0.900 20 0 CCADLP Cc1ccc(NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c(C)[nH+]1 ZINC000415619122 389694864 /nfs/dbraw/zinc/69/48/64/389694864.db2.gz HFIGPVATLSDZSY-TVQRCGJNSA-N 2 2 290.367 0.751 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N(C)c2nccs2)C1 ZINC000351857626 389699992 /nfs/dbraw/zinc/69/99/92/389699992.db2.gz YAMXYEGGIVEJFK-NXEZZACHSA-N 2 2 268.386 0.775 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N(C)c2nccs2)C1 ZINC000351857626 389699998 /nfs/dbraw/zinc/69/99/98/389699998.db2.gz YAMXYEGGIVEJFK-NXEZZACHSA-N 2 2 268.386 0.775 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000428513884 389704302 /nfs/dbraw/zinc/70/43/02/389704302.db2.gz ZBKKQFIHRZEYHU-DZGCQCFKSA-N 2 2 295.427 0.386 20 0 CCADLP C[NH+](C)[C@H]1CCC[N@H+](CCN2CCCS2(=O)=O)CC1 ZINC000429534988 389759860 /nfs/dbraw/zinc/75/98/60/389759860.db2.gz GHRRWHSPNDRSFZ-ZDUSSCGKSA-N 2 2 289.445 0.438 20 0 CCADLP C[NH+](C)[C@H]1CCC[N@@H+](CCN2CCCS2(=O)=O)CC1 ZINC000429534988 389759862 /nfs/dbraw/zinc/75/98/62/389759862.db2.gz GHRRWHSPNDRSFZ-ZDUSSCGKSA-N 2 2 289.445 0.438 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000429671772 389764297 /nfs/dbraw/zinc/76/42/97/389764297.db2.gz PQCGDVSBAZOYCA-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000429671772 389764300 /nfs/dbraw/zinc/76/43/00/389764300.db2.gz PQCGDVSBAZOYCA-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+](C)[C@H]1CCCOC1)[C@@H]1CCCOC1 ZINC000352187210 389767925 /nfs/dbraw/zinc/76/79/25/389767925.db2.gz QENVCLOLQGQQIW-FICVDOATSA-N 2 2 286.416 0.569 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+](C)[C@H]1CCCOC1)[C@@H]1CCCOC1 ZINC000352187210 389767929 /nfs/dbraw/zinc/76/79/29/389767929.db2.gz QENVCLOLQGQQIW-FICVDOATSA-N 2 2 286.416 0.569 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+](C)[C@@H]1CCCOC1)[C@H]1CCCOC1 ZINC000352187210 389767933 /nfs/dbraw/zinc/76/79/33/389767933.db2.gz QENVCLOLQGQQIW-FICVDOATSA-N 2 2 286.416 0.569 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+](C)[C@@H]1CCCOC1)[C@H]1CCCOC1 ZINC000352187210 389767934 /nfs/dbraw/zinc/76/79/34/389767934.db2.gz QENVCLOLQGQQIW-FICVDOATSA-N 2 2 286.416 0.569 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](O)C(C)(C)C1 ZINC000388232950 389769405 /nfs/dbraw/zinc/76/94/05/389769405.db2.gz BTNWUBSNOKKHHZ-CHWSQXEVSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](O)C(C)(C)C1 ZINC000388232950 389769408 /nfs/dbraw/zinc/76/94/08/389769408.db2.gz BTNWUBSNOKKHHZ-CHWSQXEVSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000388232950 389769409 /nfs/dbraw/zinc/76/94/09/389769409.db2.gz BTNWUBSNOKKHHZ-CHWSQXEVSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000388232950 389769411 /nfs/dbraw/zinc/76/94/11/389769411.db2.gz BTNWUBSNOKKHHZ-CHWSQXEVSA-N 2 2 274.405 0.018 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)COCc2ccco2)C1 ZINC000389416157 389771937 /nfs/dbraw/zinc/77/19/37/389771937.db2.gz UFUICXWIHNITTL-CHWSQXEVSA-N 2 2 268.357 0.841 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)COCc2ccco2)C1 ZINC000389416157 389771940 /nfs/dbraw/zinc/77/19/40/389771940.db2.gz UFUICXWIHNITTL-CHWSQXEVSA-N 2 2 268.357 0.841 20 0 CCADLP CS(=O)(=O)NCC1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000352250167 389778649 /nfs/dbraw/zinc/77/86/49/389778649.db2.gz CWTCJDJFDJFOAO-UHFFFAOYSA-N 2 2 286.401 0.144 20 0 CCADLP CCCNC(=O)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352255675 389779458 /nfs/dbraw/zinc/77/94/58/389779458.db2.gz ALMMSTXPGGSQGW-UHFFFAOYSA-N 2 2 270.402 0.821 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416951120 389784228 /nfs/dbraw/zinc/78/42/28/389784228.db2.gz HZGWMOBJIUEAHV-OLZOCXBDSA-N 2 2 292.383 0.731 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416951120 389784229 /nfs/dbraw/zinc/78/42/29/389784229.db2.gz HZGWMOBJIUEAHV-OLZOCXBDSA-N 2 2 292.383 0.731 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000352316821 389789269 /nfs/dbraw/zinc/78/92/69/389789269.db2.gz YCEUXOZREHQCGH-BPLDGKMQSA-N 2 2 293.411 0.308 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000417018808 389790386 /nfs/dbraw/zinc/79/03/86/389790386.db2.gz FMHWHJAKTFPANO-UONOGXRCSA-N 2 2 298.431 0.478 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@@]2(CCOC2)O1 ZINC000352342386 389793188 /nfs/dbraw/zinc/79/31/88/389793188.db2.gz RTXUDAVEUMBSGF-BPLDGKMQSA-N 2 2 284.400 0.321 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@@]2(CCOC2)O1 ZINC000352342386 389793191 /nfs/dbraw/zinc/79/31/91/389793191.db2.gz RTXUDAVEUMBSGF-BPLDGKMQSA-N 2 2 284.400 0.321 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)C[C@@]2(CCOC2)O1 ZINC000352342386 389793194 /nfs/dbraw/zinc/79/31/94/389793194.db2.gz RTXUDAVEUMBSGF-BPLDGKMQSA-N 2 2 284.400 0.321 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C[C@@]2(CCOC2)O1 ZINC000352342386 389793197 /nfs/dbraw/zinc/79/31/97/389793197.db2.gz RTXUDAVEUMBSGF-BPLDGKMQSA-N 2 2 284.400 0.321 20 0 CCADLP C[NH2+]CCC1CCN(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000416437683 389743124 /nfs/dbraw/zinc/74/31/24/389743124.db2.gz MVXJZBISPNTALC-UHFFFAOYSA-N 2 2 298.431 0.350 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000416437821 389743711 /nfs/dbraw/zinc/74/37/11/389743711.db2.gz NCPZXOZXNQMSJK-ZJUUUORDSA-N 2 2 287.314 0.568 20 0 CCADLP C[C@@H]1CCN(C(=O)NCCCn2cc[nH+]c2)C[C@@H]1C[NH3+] ZINC000416450319 389745078 /nfs/dbraw/zinc/74/50/78/389745078.db2.gz XLXQYPRJCHIKOZ-OLZOCXBDSA-N 2 2 279.388 0.900 20 0 CCADLP CCCC[N@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000352386730 389802141 /nfs/dbraw/zinc/80/21/41/389802141.db2.gz FSLZWOSKCUZNIF-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP CCCC[N@@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000352386730 389802145 /nfs/dbraw/zinc/80/21/45/389802145.db2.gz FSLZWOSKCUZNIF-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000352407013 389805714 /nfs/dbraw/zinc/80/57/14/389805714.db2.gz OMOQCCOJTZJZTN-MNOVXSKESA-N 2 2 272.374 0.360 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)Nc2ccncc2)C1 ZINC000430554573 389807420 /nfs/dbraw/zinc/80/74/20/389807420.db2.gz WAUJMXFBCOSUAN-NWDGAFQWSA-N 2 2 262.357 0.501 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)Nc2ccncc2)C1 ZINC000430554573 389807423 /nfs/dbraw/zinc/80/74/23/389807423.db2.gz WAUJMXFBCOSUAN-NWDGAFQWSA-N 2 2 262.357 0.501 20 0 CCADLP C[NH2+][C@@H]1CC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000430625470 389814219 /nfs/dbraw/zinc/81/42/19/389814219.db2.gz KTSFLOYKASEOLN-MRVPVSSYSA-N 2 2 296.293 0.058 20 0 CCADLP C[NH2+][C@@H]1CC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000430625470 389814220 /nfs/dbraw/zinc/81/42/20/389814220.db2.gz KTSFLOYKASEOLN-MRVPVSSYSA-N 2 2 296.293 0.058 20 0 CCADLP C[NH2+][C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000430627659 389814243 /nfs/dbraw/zinc/81/42/43/389814243.db2.gz TZWMYOABLUSCDZ-CYBMUJFWSA-N 2 2 290.367 0.408 20 0 CCADLP C[NH2+][C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000430627659 389814244 /nfs/dbraw/zinc/81/42/44/389814244.db2.gz TZWMYOABLUSCDZ-CYBMUJFWSA-N 2 2 290.367 0.408 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000430643792 389815309 /nfs/dbraw/zinc/81/53/09/389815309.db2.gz SLHFCHADAMJSBX-AAEUAGOBSA-N 2 2 251.374 0.681 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC000430643792 389815312 /nfs/dbraw/zinc/81/53/12/389815312.db2.gz SLHFCHADAMJSBX-AAEUAGOBSA-N 2 2 251.374 0.681 20 0 CCADLP C[C@@H]1CN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC[C@H]1[NH3+] ZINC000417431319 389815676 /nfs/dbraw/zinc/81/56/76/389815676.db2.gz ZVPXRGOYYVXJPJ-CHWSQXEVSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H]1CN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC[C@H]1[NH3+] ZINC000417431319 389815680 /nfs/dbraw/zinc/81/56/80/389815680.db2.gz ZVPXRGOYYVXJPJ-CHWSQXEVSA-N 2 2 298.431 0.476 20 0 CCADLP CN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430640996 389815786 /nfs/dbraw/zinc/81/57/86/389815786.db2.gz RUXFEPFYXQSECE-VIFPVBQESA-N 2 2 267.295 0.678 20 0 CCADLP CN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430640996 389815790 /nfs/dbraw/zinc/81/57/90/389815790.db2.gz RUXFEPFYXQSECE-VIFPVBQESA-N 2 2 267.295 0.678 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000430643795 389815902 /nfs/dbraw/zinc/81/59/02/389815902.db2.gz SLHFCHADAMJSBX-WCQYABFASA-N 2 2 251.374 0.681 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000430643795 389815904 /nfs/dbraw/zinc/81/59/04/389815904.db2.gz SLHFCHADAMJSBX-WCQYABFASA-N 2 2 251.374 0.681 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC([NH3+])CC1 ZINC000430639407 389816062 /nfs/dbraw/zinc/81/60/62/389816062.db2.gz IDKVNPPJNBUAOY-SNVBAGLBSA-N 2 2 270.377 0.280 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCCc2[nH+]ccn21)[NH+]1CCOCC1 ZINC000352496861 389819247 /nfs/dbraw/zinc/81/92/47/389819247.db2.gz AOXXABCPUNXKDA-CHWSQXEVSA-N 2 2 292.383 0.597 20 0 CCADLP COc1ccccc1[C@@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000430726624 389821093 /nfs/dbraw/zinc/82/10/93/389821093.db2.gz FCJZCEAZHYPREL-BXUZGUMPSA-N 2 2 277.368 0.858 20 0 CCADLP COc1ccccc1[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000430726624 389821096 /nfs/dbraw/zinc/82/10/96/389821096.db2.gz FCJZCEAZHYPREL-BXUZGUMPSA-N 2 2 277.368 0.858 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NCC[N@@H+]2CCOC[C@H]2C)CC[NH2+]1 ZINC000417518468 389825096 /nfs/dbraw/zinc/82/50/96/389825096.db2.gz SQJNURRKZNHIOS-UPJWGTAASA-N 2 2 284.404 0.147 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NCC[N@H+]2CCOC[C@H]2C)CC[NH2+]1 ZINC000417518468 389825100 /nfs/dbraw/zinc/82/51/00/389825100.db2.gz SQJNURRKZNHIOS-UPJWGTAASA-N 2 2 284.404 0.147 20 0 CCADLP C[C@H](CCC[NH3+])NC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000417523773 389826194 /nfs/dbraw/zinc/82/61/94/389826194.db2.gz RRHHHTNDYVWKKL-UPJWGTAASA-N 2 2 286.420 0.522 20 0 CCADLP C[NH2+]C[C@@H]1CCCN1C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000417529859 389826895 /nfs/dbraw/zinc/82/68/95/389826895.db2.gz XYAZFBZXSGNHRC-MJBXVCDLSA-N 2 2 298.431 0.489 20 0 CCADLP O=C(C[NH2+]C[C@@H]1CCCO1)NCc1cn2c([nH+]1)CCCC2 ZINC000430905508 389833286 /nfs/dbraw/zinc/83/32/86/389833286.db2.gz YEHFECQEUCTSKG-ZDUSSCGKSA-N 2 2 292.383 0.604 20 0 CCADLP COc1ccc(OC)c(NC(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000430918179 389834216 /nfs/dbraw/zinc/83/42/16/389834216.db2.gz GPYYBMHRLJKVFT-LLVKDONJSA-N 2 2 293.367 0.923 20 0 CCADLP COc1ccc(OC)c(NC(=O)C[N@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000430918179 389834219 /nfs/dbraw/zinc/83/42/19/389834219.db2.gz GPYYBMHRLJKVFT-LLVKDONJSA-N 2 2 293.367 0.923 20 0 CCADLP C[C@H]1C[N@H+](CCNS(=O)(=O)c2ccccc2)CC[C@H]1[NH3+] ZINC000430960050 389841299 /nfs/dbraw/zinc/84/12/99/389841299.db2.gz GMZNADPMQISVGV-GXTWGEPZSA-N 2 2 297.424 0.634 20 0 CCADLP C[C@H]1C[N@@H+](CCNS(=O)(=O)c2ccccc2)CC[C@H]1[NH3+] ZINC000430960050 389841303 /nfs/dbraw/zinc/84/13/03/389841303.db2.gz GMZNADPMQISVGV-GXTWGEPZSA-N 2 2 297.424 0.634 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430974362 389842880 /nfs/dbraw/zinc/84/28/80/389842880.db2.gz YYHAAKDWDJKCIL-GRYCIOLGSA-N 2 2 284.404 0.526 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430974362 389842882 /nfs/dbraw/zinc/84/28/82/389842882.db2.gz YYHAAKDWDJKCIL-GRYCIOLGSA-N 2 2 284.404 0.526 20 0 CCADLP Cn1cc(C[NH+]2CCN(C(=O)[C@@]3(C)CC[NH2+]C3)CC2)cn1 ZINC000431007470 389844136 /nfs/dbraw/zinc/84/41/36/389844136.db2.gz GMGKHSPAKHDDRO-HNNXBMFYSA-N 2 2 291.399 0.064 20 0 CCADLP C[NH+](C)Cc1nc(C2(NC(=O)CCC[NH3+])CCCC2)no1 ZINC000431041580 389847235 /nfs/dbraw/zinc/84/72/35/389847235.db2.gz WMRXYVADASKAKB-UHFFFAOYSA-N 2 2 295.387 0.756 20 0 CCADLP Cc1nsc(N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)n1 ZINC000431100503 389850565 /nfs/dbraw/zinc/85/05/65/389850565.db2.gz VIGGKVNUGBYPPM-LBPRGKRZSA-N 2 2 281.429 0.968 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000442780915 389862643 /nfs/dbraw/zinc/86/26/43/389862643.db2.gz OLZWKZVWZPZUOU-OPRDCNLKSA-N 2 2 279.306 0.819 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000442780915 389862644 /nfs/dbraw/zinc/86/26/44/389862644.db2.gz OLZWKZVWZPZUOU-OPRDCNLKSA-N 2 2 279.306 0.819 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)O1 ZINC000527557887 285350586 /nfs/dbraw/zinc/35/05/86/285350586.db2.gz IPLBQYDHEAONNR-ZOBORPQBSA-N 2 2 299.390 0.350 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)O1 ZINC000527557887 285350587 /nfs/dbraw/zinc/35/05/87/285350587.db2.gz IPLBQYDHEAONNR-ZOBORPQBSA-N 2 2 299.390 0.350 20 0 CCADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2cn(C)nn2)CCCO1 ZINC000432360947 389879033 /nfs/dbraw/zinc/87/90/33/389879033.db2.gz CEQKIINYLPTJHJ-LBPRGKRZSA-N 2 2 267.377 0.406 20 0 CCADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cn(C)nn2)CCCO1 ZINC000432360947 389879034 /nfs/dbraw/zinc/87/90/34/389879034.db2.gz CEQKIINYLPTJHJ-LBPRGKRZSA-N 2 2 267.377 0.406 20 0 CCADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)c1c[nH+]ccc1N ZINC000444169855 389893953 /nfs/dbraw/zinc/89/39/53/389893953.db2.gz LEWJJGLVKVXYRV-LLVKDONJSA-N 2 2 278.356 0.335 20 0 CCADLP CCn1cc[nH+]c1CN(CC[NH3+])[C@H]1CC12CC[NH2+]CC2 ZINC000435696119 389961388 /nfs/dbraw/zinc/96/13/88/389961388.db2.gz UAJZTCZGGKHHJD-ZDUSSCGKSA-N 3 2 277.416 0.806 20 0 CCADLP CCS(=O)(=O)NCCC[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000420264933 389975280 /nfs/dbraw/zinc/97/52/80/389975280.db2.gz AUIQZKQTECBFLF-RYUDHWBXSA-N 2 2 277.434 0.518 20 0 CCADLP CCS(=O)(=O)NCCC[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000420264933 389975283 /nfs/dbraw/zinc/97/52/83/389975283.db2.gz AUIQZKQTECBFLF-RYUDHWBXSA-N 2 2 277.434 0.518 20 0 CCADLP C[C@H]1C[NH2+]CCN1c1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000420219579 389967219 /nfs/dbraw/zinc/96/72/19/389967219.db2.gz QTVVPRSGDCRKED-STQMWFEESA-N 2 2 291.399 0.626 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@@H+]1CCc1nnnn1-c1ccccc1 ZINC000433492735 389916195 /nfs/dbraw/zinc/91/61/95/389916195.db2.gz GNELWJNDCPTOKU-ZDUSSCGKSA-N 2 2 272.356 0.628 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@H+]1CCc1nnnn1-c1ccccc1 ZINC000433492735 389916197 /nfs/dbraw/zinc/91/61/97/389916197.db2.gz GNELWJNDCPTOKU-ZDUSSCGKSA-N 2 2 272.356 0.628 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000433489972 389916278 /nfs/dbraw/zinc/91/62/78/389916278.db2.gz TZTAQMGXSPZGMT-ZDUSSCGKSA-N 2 2 293.415 0.957 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000433489972 389916280 /nfs/dbraw/zinc/91/62/80/389916280.db2.gz TZTAQMGXSPZGMT-ZDUSSCGKSA-N 2 2 293.415 0.957 20 0 CCADLP Cn1ncc(Cl)c1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000436251027 389973379 /nfs/dbraw/zinc/97/33/79/389973379.db2.gz ZZOKLWVIXQJMER-NSHDSACASA-N 2 2 299.806 0.503 20 0 CCADLP Cn1ncc(Cl)c1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000436251027 389973381 /nfs/dbraw/zinc/97/33/81/389973381.db2.gz ZZOKLWVIXQJMER-NSHDSACASA-N 2 2 299.806 0.503 20 0 CCADLP CC[C@H]1C[N@H+](CC)CCN1C(=O)NCC[NH+]1CCOCC1 ZINC000457390957 390042205 /nfs/dbraw/zinc/04/22/05/390042205.db2.gz AOORDAUCCGJGTB-AWEZNQCLSA-N 2 2 298.431 0.444 20 0 CCADLP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NCC[NH+]1CCOCC1 ZINC000457390957 390042208 /nfs/dbraw/zinc/04/22/08/390042208.db2.gz AOORDAUCCGJGTB-AWEZNQCLSA-N 2 2 298.431 0.444 20 0 CCADLP COC(=O)c1ccccc1NC(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000420313512 389982094 /nfs/dbraw/zinc/98/20/94/389982094.db2.gz UFFSGBPDBALBPO-UHFFFAOYSA-N 2 2 291.351 0.883 20 0 CCADLP C[N@H+](CCN1C[C@H]2CC[C@@H](C1)O2)C1(C[NH3+])CCC1 ZINC000420329184 389983989 /nfs/dbraw/zinc/98/39/89/389983989.db2.gz NVYJKBXVDMAFOW-BETUJISGSA-N 2 2 253.390 0.663 20 0 CCADLP C[N@@H+](CCN1C[C@H]2CC[C@@H](C1)O2)C1(C[NH3+])CCC1 ZINC000420329184 389983990 /nfs/dbraw/zinc/98/39/90/389983990.db2.gz NVYJKBXVDMAFOW-BETUJISGSA-N 2 2 253.390 0.663 20 0 CCADLP CCC[C@H](NC(=O)C[N@H+](C)C[C@@H](O)C[NH3+])c1ccccc1 ZINC000420349019 389987678 /nfs/dbraw/zinc/98/76/78/389987678.db2.gz BMEZOBGDNXLBDK-GJZGRUSLSA-N 2 2 293.411 0.895 20 0 CCADLP CCC[C@H](NC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])c1ccccc1 ZINC000420349019 389987680 /nfs/dbraw/zinc/98/76/80/389987680.db2.gz BMEZOBGDNXLBDK-GJZGRUSLSA-N 2 2 293.411 0.895 20 0 CCADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420349493 389987929 /nfs/dbraw/zinc/98/79/29/389987929.db2.gz DAQSZPNQVBOWDN-DZGCQCFKSA-N 2 2 293.411 0.593 20 0 CCADLP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420349493 389987932 /nfs/dbraw/zinc/98/79/32/389987932.db2.gz DAQSZPNQVBOWDN-DZGCQCFKSA-N 2 2 293.411 0.593 20 0 CCADLP CSc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000420350479 389988168 /nfs/dbraw/zinc/98/81/68/389988168.db2.gz GZTHSNCWTWSXDO-PWSUYJOCSA-N 2 2 297.424 0.987 20 0 CCADLP CSc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000420350479 389988170 /nfs/dbraw/zinc/98/81/70/389988170.db2.gz GZTHSNCWTWSXDO-PWSUYJOCSA-N 2 2 297.424 0.987 20 0 CCADLP CSc1cccc(NC(=O)[C@H](C)[N@H+](C)C[C@H](O)C[NH3+])c1 ZINC000420350625 389988189 /nfs/dbraw/zinc/98/81/89/389988189.db2.gz HKKNEIKWHQYQBE-CMPLNLGQSA-N 2 2 297.424 0.987 20 0 CCADLP CSc1cccc(NC(=O)[C@H](C)[N@@H+](C)C[C@H](O)C[NH3+])c1 ZINC000420350625 389988191 /nfs/dbraw/zinc/98/81/91/389988191.db2.gz HKKNEIKWHQYQBE-CMPLNLGQSA-N 2 2 297.424 0.987 20 0 CCADLP CC(C)N(C(=O)[C@H](C)[N@H+](C)C[C@H](O)C[NH3+])C(C)C ZINC000420351192 389989068 /nfs/dbraw/zinc/98/90/68/389989068.db2.gz JIPOFCOVRNVKIX-NWDGAFQWSA-N 2 2 259.394 0.272 20 0 CCADLP CC(C)N(C(=O)[C@H](C)[N@@H+](C)C[C@H](O)C[NH3+])C(C)C ZINC000420351192 389989071 /nfs/dbraw/zinc/98/90/71/389989071.db2.gz JIPOFCOVRNVKIX-NWDGAFQWSA-N 2 2 259.394 0.272 20 0 CCADLP C[C@@H](C(=O)NCc1ccccc1F)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420361806 389992043 /nfs/dbraw/zinc/99/20/43/389992043.db2.gz YQDIVOBRLWAVLZ-JQWIXIFHSA-N 2 2 283.347 0.082 20 0 CCADLP C[C@@H](C(=O)NCc1ccccc1F)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420361806 389992044 /nfs/dbraw/zinc/99/20/44/389992044.db2.gz YQDIVOBRLWAVLZ-JQWIXIFHSA-N 2 2 283.347 0.082 20 0 CCADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]CC[C@@H]1CCOC1 ZINC000449386731 389993736 /nfs/dbraw/zinc/99/37/36/389993736.db2.gz JIKVQTNUIZLLQU-ZIAGYGMSSA-N 2 2 256.390 0.849 20 0 CCADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]CC[C@@H]1CCOC1 ZINC000449386731 389993737 /nfs/dbraw/zinc/99/37/37/389993737.db2.gz JIKVQTNUIZLLQU-ZIAGYGMSSA-N 2 2 256.390 0.849 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)C[C@H](C)O1 ZINC000420387906 389995804 /nfs/dbraw/zinc/99/58/04/389995804.db2.gz WJOVUBJRYJNFOY-IJEWVQPXSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)C[C@H](C)O1 ZINC000420387906 389995806 /nfs/dbraw/zinc/99/58/06/389995806.db2.gz WJOVUBJRYJNFOY-IJEWVQPXSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]1CC[N@@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)C[C@H]1C[NH3+] ZINC000420400785 389997190 /nfs/dbraw/zinc/99/71/90/389997190.db2.gz IQGVTIFAGYWMIK-BZPMIXESSA-N 2 2 291.399 0.442 20 0 CCADLP C[C@@H]1CC[N@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)C[C@H]1C[NH3+] ZINC000420400785 389997192 /nfs/dbraw/zinc/99/71/92/389997192.db2.gz IQGVTIFAGYWMIK-BZPMIXESSA-N 2 2 291.399 0.442 20 0 CCADLP CN(C)C(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000452004881 390005584 /nfs/dbraw/zinc/00/55/84/390005584.db2.gz BVYAGUXPXAQULJ-OCCSQVGLSA-N 2 2 298.431 0.177 20 0 CCADLP CN(C)C(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000452004881 390005585 /nfs/dbraw/zinc/00/55/85/390005585.db2.gz BVYAGUXPXAQULJ-OCCSQVGLSA-N 2 2 298.431 0.177 20 0 CCADLP CN(C)C(=O)N[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000452004881 390005587 /nfs/dbraw/zinc/00/55/87/390005587.db2.gz BVYAGUXPXAQULJ-OCCSQVGLSA-N 2 2 298.431 0.177 20 0 CCADLP CN(C)C(=O)N[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000452004881 390005589 /nfs/dbraw/zinc/00/55/89/390005589.db2.gz BVYAGUXPXAQULJ-OCCSQVGLSA-N 2 2 298.431 0.177 20 0 CCADLP CC1(C)OCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000453255877 390009157 /nfs/dbraw/zinc/00/91/57/390009157.db2.gz FSJVGWYBDVROAK-QWHCGFSZSA-N 2 2 256.390 0.990 20 0 CCADLP CC1(C)OCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000453255877 390009158 /nfs/dbraw/zinc/00/91/58/390009158.db2.gz FSJVGWYBDVROAK-QWHCGFSZSA-N 2 2 256.390 0.990 20 0 CCADLP C[C@H](O)CNc1cc(N(C)C[C@@H]2CCC[N@@H+]2C)nc[nH+]1 ZINC000420635299 390019130 /nfs/dbraw/zinc/01/91/30/390019130.db2.gz MBGGDIFHUWVPGN-RYUDHWBXSA-N 2 2 279.388 0.800 20 0 CCADLP C[C@H](O)CNc1cc(N(C)C[C@@H]2CCC[N@H+]2C)nc[nH+]1 ZINC000420635299 390019131 /nfs/dbraw/zinc/01/91/31/390019131.db2.gz MBGGDIFHUWVPGN-RYUDHWBXSA-N 2 2 279.388 0.800 20 0 CCADLP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000440120492 390032280 /nfs/dbraw/zinc/03/22/80/390032280.db2.gz QTOCKMVTPYNKBD-CHWSQXEVSA-N 2 2 276.384 0.904 20 0 CCADLP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000440120492 390032283 /nfs/dbraw/zinc/03/22/83/390032283.db2.gz QTOCKMVTPYNKBD-CHWSQXEVSA-N 2 2 276.384 0.904 20 0 CCADLP CC(C)OC1CC([NH+]2CCN(C(=O)C[NH+](C)C)CC2)C1 ZINC000459309663 390072302 /nfs/dbraw/zinc/07/23/02/390072302.db2.gz VMRGWPDIZIYLLQ-UHFFFAOYSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000487628737 390089039 /nfs/dbraw/zinc/08/90/39/390089039.db2.gz BZTHEXZRDLFJMJ-CHWSQXEVSA-N 2 2 281.400 0.165 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000487628737 390089040 /nfs/dbraw/zinc/08/90/40/390089040.db2.gz BZTHEXZRDLFJMJ-CHWSQXEVSA-N 2 2 281.400 0.165 20 0 CCADLP Cc1nc(N2CC[NH+](CC(C)(C)O)CC2)nc(N(C)C)[nH+]1 ZINC000488399865 390093604 /nfs/dbraw/zinc/09/36/04/390093604.db2.gz REAQSYHGHDSXBN-UHFFFAOYSA-N 2 2 294.403 0.139 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000488547404 390094652 /nfs/dbraw/zinc/09/46/52/390094652.db2.gz JDBWQMCEEOVNKM-VXGBXAGGSA-N 2 2 279.388 0.837 20 0 CCADLP CC[NH+](CC)CCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC000489550144 390101111 /nfs/dbraw/zinc/10/11/11/390101111.db2.gz MNZIPZXJJMYCKX-UHFFFAOYSA-N 2 2 266.393 0.812 20 0 CCADLP CC[NH+](CC)CCCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000489550144 390101112 /nfs/dbraw/zinc/10/11/12/390101112.db2.gz MNZIPZXJJMYCKX-UHFFFAOYSA-N 2 2 266.393 0.812 20 0 CCADLP COCC[N@H+](CCn1cc[nH+]c1)Cc1ccnn1C ZINC000489838144 390102268 /nfs/dbraw/zinc/10/22/68/390102268.db2.gz HLHCFCZVDWCPKJ-UHFFFAOYSA-N 2 2 263.345 0.765 20 0 CCADLP COCC[N@@H+](CCn1cc[nH+]c1)Cc1ccnn1C ZINC000489838144 390102269 /nfs/dbraw/zinc/10/22/69/390102269.db2.gz HLHCFCZVDWCPKJ-UHFFFAOYSA-N 2 2 263.345 0.765 20 0 CCADLP CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000094635459 184831356 /nfs/dbraw/zinc/83/13/56/184831356.db2.gz QGCGIEHBAACCMW-NEPJUHHUSA-N 2 2 271.386 0.829 20 0 CCADLP CC[N@H+](CCNC(=O)NCCc1cn(C)c[nH+]1)C1CC1 ZINC000458187860 390053875 /nfs/dbraw/zinc/05/38/75/390053875.db2.gz BEOHRSWVEZGWCI-UHFFFAOYSA-N 2 2 279.388 0.746 20 0 CCADLP CC[N@@H+](CCNC(=O)NCCc1cn(C)c[nH+]1)C1CC1 ZINC000458187860 390053876 /nfs/dbraw/zinc/05/38/76/390053876.db2.gz BEOHRSWVEZGWCI-UHFFFAOYSA-N 2 2 279.388 0.746 20 0 CCADLP O[C@H](CNc1[nH]c2ccccc2[nH+]1)C[NH+]1CCOCC1 ZINC000270585727 285357730 /nfs/dbraw/zinc/35/77/30/285357730.db2.gz RGNHXVADGHAFMC-LLVKDONJSA-N 2 2 276.340 0.668 20 0 CCADLP C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)CCn1cc[nH+]c1 ZINC000647823074 390182007 /nfs/dbraw/zinc/18/20/07/390182007.db2.gz CJEYQTKOAGFKLV-KGLIPLIRSA-N 2 2 292.383 0.595 20 0 CCADLP C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)CCn1cc[nH+]c1 ZINC000647823074 390182008 /nfs/dbraw/zinc/18/20/08/390182008.db2.gz CJEYQTKOAGFKLV-KGLIPLIRSA-N 2 2 292.383 0.595 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000493937723 390135809 /nfs/dbraw/zinc/13/58/09/390135809.db2.gz SMGCLYRMYITEOS-DTWKUNHWSA-N 2 2 283.376 0.466 20 0 CCADLP C[N@H+](CCC[NH3+])CC(=O)NCCCN1CCCCCC1=O ZINC000647848119 390191511 /nfs/dbraw/zinc/19/15/11/390191511.db2.gz FUPFUUYJGTXFJU-UHFFFAOYSA-N 2 2 298.431 0.176 20 0 CCADLP C[N@@H+](CCC[NH3+])CC(=O)NCCCN1CCCCCC1=O ZINC000647848119 390191515 /nfs/dbraw/zinc/19/15/15/390191515.db2.gz FUPFUUYJGTXFJU-UHFFFAOYSA-N 2 2 298.431 0.176 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+](C)Cc1ccc(OC)c(O)c1 ZINC000579243786 390156641 /nfs/dbraw/zinc/15/66/41/390156641.db2.gz CBJNFCWRIIAMSQ-AWEZNQCLSA-N 2 2 268.357 0.803 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+](C)Cc1ccc(OC)c(O)c1 ZINC000579243786 390156644 /nfs/dbraw/zinc/15/66/44/390156644.db2.gz CBJNFCWRIIAMSQ-AWEZNQCLSA-N 2 2 268.357 0.803 20 0 CCADLP Cc1nc(N2CC[C@H]([NH+](C)C)[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000647843853 390190181 /nfs/dbraw/zinc/19/01/81/390190181.db2.gz IIBQWGFLXVVOSF-ONGXEEELSA-N 2 2 264.377 0.775 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@H]2CC[C@@H](CO)C2)C[C@H](C)O1 ZINC000579473536 390176438 /nfs/dbraw/zinc/17/64/38/390176438.db2.gz ZAVWCKVHUNWRPY-QKGCVVFFSA-N 2 2 286.416 0.207 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@H]2CC[C@@H](CO)C2)C[C@H](C)O1 ZINC000579473536 390176443 /nfs/dbraw/zinc/17/64/43/390176443.db2.gz ZAVWCKVHUNWRPY-QKGCVVFFSA-N 2 2 286.416 0.207 20 0 CCADLP C[N@@H+](CC(=O)NCc1cccs1)C[C@@H]1CC[NH2+]C1 ZINC000647885836 390208335 /nfs/dbraw/zinc/20/83/35/390208335.db2.gz WPSWEUJWTRBPHG-LLVKDONJSA-N 2 2 267.398 0.906 20 0 CCADLP C[N@H+](CC(=O)NCc1cccs1)C[C@@H]1CC[NH2+]C1 ZINC000647885836 390208339 /nfs/dbraw/zinc/20/83/39/390208339.db2.gz WPSWEUJWTRBPHG-LLVKDONJSA-N 2 2 267.398 0.906 20 0 CCADLP C[C@@H]1C[N@H+](CCOCC[NH3+])C[C@H](C(F)(F)F)O1 ZINC000647889292 390209035 /nfs/dbraw/zinc/20/90/35/390209035.db2.gz CFXFRSXEPRYIQI-RKDXNWHRSA-N 2 2 256.268 0.613 20 0 CCADLP 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C[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C1CCOCC1 ZINC000646833216 390725685 /nfs/dbraw/zinc/72/56/85/390725685.db2.gz QIHSPKPBQKWICO-YPMHNXCESA-N 2 2 269.389 0.150 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C1CCOCC1 ZINC000646833214 390725819 /nfs/dbraw/zinc/72/58/19/390725819.db2.gz QIHSPKPBQKWICO-DGCLKSJQSA-N 2 2 269.389 0.150 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C1CCOCC1 ZINC000646833214 390725820 /nfs/dbraw/zinc/72/58/20/390725820.db2.gz QIHSPKPBQKWICO-DGCLKSJQSA-N 2 2 269.389 0.150 20 0 CCADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)Cn1cc[nH+]c1 ZINC000571259545 390727536 /nfs/dbraw/zinc/72/75/36/390727536.db2.gz PFBJLGDTOADXLL-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Cn1cc[nH+]c1 ZINC000571259545 390727537 /nfs/dbraw/zinc/72/75/37/390727537.db2.gz PFBJLGDTOADXLL-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP OCc1ccc(C[NH2+]CCC[NH+]2CCC(O)CC2)o1 ZINC000525703220 390665062 /nfs/dbraw/zinc/66/50/62/390665062.db2.gz GCGOJZAQAYBAMR-UHFFFAOYSA-N 2 2 268.357 0.708 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)C[N@@H+]2CCC(C)(C)C2)c1 ZINC000567178567 390677906 /nfs/dbraw/zinc/67/79/06/390677906.db2.gz KJGMAOOQZMTYFK-UHFFFAOYSA-N 2 2 264.373 0.811 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)C[N@H+]2CCC(C)(C)C2)c1 ZINC000567178567 390677907 /nfs/dbraw/zinc/67/79/07/390677907.db2.gz KJGMAOOQZMTYFK-UHFFFAOYSA-N 2 2 264.373 0.811 20 0 CCADLP Cc1n[nH]cc1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000567207385 390679825 /nfs/dbraw/zinc/67/98/25/390679825.db2.gz GKXOWJDPNFSCFD-UHFFFAOYSA-N 2 2 252.362 0.655 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C[C@H](C)C(=O)OC)C1CC1 ZINC000571341635 390731498 /nfs/dbraw/zinc/73/14/98/390731498.db2.gz PCRZQLNSTRZMIW-WCQYABFASA-N 2 2 272.389 0.573 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C[C@H](C)C(=O)OC)C1CC1 ZINC000571341635 390731499 /nfs/dbraw/zinc/73/14/99/390731499.db2.gz PCRZQLNSTRZMIW-WCQYABFASA-N 2 2 272.389 0.573 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C[C@H](C)C(=O)OC)C1CC1 ZINC000571341635 390731500 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CC[NH+](CC)CC(=O)N1CC[NH+](CC2(F)CC2)CC1 ZINC000527219781 390697020 /nfs/dbraw/zinc/69/70/20/390697020.db2.gz JRRXHVYHKJFZOS-UHFFFAOYSA-N 2 2 271.380 0.975 20 0 CCADLP CCC[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1 ZINC000572824794 390805059 /nfs/dbraw/zinc/80/50/59/390805059.db2.gz WRUAFJMALIZXCX-CQSZACIVSA-N 3 2 297.447 0.145 20 0 CCADLP CCC[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1 ZINC000572824794 390805061 /nfs/dbraw/zinc/80/50/61/390805061.db2.gz WRUAFJMALIZXCX-CQSZACIVSA-N 3 2 297.447 0.145 20 0 CCADLP C[C@H]([NH3+])CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000647021415 390759155 /nfs/dbraw/zinc/75/91/55/390759155.db2.gz OSPRXRRTIXOYIZ-CMPLNLGQSA-N 2 2 255.362 0.093 20 0 CCADLP C[C@H]([NH3+])CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000647021415 390759156 /nfs/dbraw/zinc/75/91/56/390759156.db2.gz OSPRXRRTIXOYIZ-CMPLNLGQSA-N 2 2 255.362 0.093 20 0 CCADLP C[C@H](C(=O)N(C)C(C)(C)C[NH+]1CCOCC1)[NH+]1CC(C)C1 ZINC000571938781 390760641 /nfs/dbraw/zinc/76/06/41/390760641.db2.gz LCBYJTLSQGXZGP-CQSZACIVSA-N 2 2 297.443 0.896 20 0 CCADLP Cc1cc(NC(=O)N2CCN(C)C[C@H]2C[NH3+])c(C)c[nH+]1 ZINC000572130745 390769264 /nfs/dbraw/zinc/76/92/64/390769264.db2.gz ZQJGZRMWLYMSEG-GFCCVEGCSA-N 2 2 277.372 0.227 20 0 CCADLP Cc1cccc2[nH+]c(CCNC(=O)[C@H]3C[NH2+]CCO3)cn21 ZINC000647098065 390775035 /nfs/dbraw/zinc/77/50/35/390775035.db2.gz FLCBPEPAGDCUPA-CYBMUJFWSA-N 2 2 288.351 0.290 20 0 CCADLP C[C@@H](CNC(=O)CC1(C[NH3+])CC1)Cn1cc[nH+]c1 ZINC000572408628 390782653 /nfs/dbraw/zinc/78/26/53/390782653.db2.gz FSVKXCHVPHYKMR-NSHDSACASA-N 2 2 250.346 0.764 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000528910349 390783531 /nfs/dbraw/zinc/78/35/31/390783531.db2.gz WZNDNAXBCPHVNF-LBPRGKRZSA-N 2 2 273.340 0.941 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000528945657 390785203 /nfs/dbraw/zinc/78/52/03/390785203.db2.gz FXDQKHOMJQDBQA-RYUDHWBXSA-N 2 2 250.346 0.743 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000528945657 390785205 /nfs/dbraw/zinc/78/52/05/390785205.db2.gz FXDQKHOMJQDBQA-RYUDHWBXSA-N 2 2 250.346 0.743 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccnn2-c2ccccn2)C1 ZINC000647201921 390787541 /nfs/dbraw/zinc/78/75/41/390787541.db2.gz FLPAUPCEDWZKRN-OAHLLOKOSA-N 2 2 287.367 0.424 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccnn2-c2ccccn2)C1 ZINC000647201921 390787543 /nfs/dbraw/zinc/78/75/43/390787543.db2.gz FLPAUPCEDWZKRN-OAHLLOKOSA-N 2 2 287.367 0.424 20 0 CCADLP COc1c(N)[nH+]cnc1NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000572616861 390792717 /nfs/dbraw/zinc/79/27/17/390792717.db2.gz HYEJTWORYGJQQK-NSHDSACASA-N 2 2 295.387 0.258 20 0 CCADLP COc1c(N)[nH+]cnc1NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000572616861 390792718 /nfs/dbraw/zinc/79/27/18/390792718.db2.gz HYEJTWORYGJQQK-NSHDSACASA-N 2 2 295.387 0.258 20 0 CCADLP COc1c(N)nc[nH+]c1NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000572616861 390792719 /nfs/dbraw/zinc/79/27/19/390792719.db2.gz HYEJTWORYGJQQK-NSHDSACASA-N 2 2 295.387 0.258 20 0 CCADLP COc1c(N)nc[nH+]c1NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000572616861 390792720 /nfs/dbraw/zinc/79/27/20/390792720.db2.gz HYEJTWORYGJQQK-NSHDSACASA-N 2 2 295.387 0.258 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]([C@@H](C)CO)C1CCCC1 ZINC000572852750 390807439 /nfs/dbraw/zinc/80/74/39/390807439.db2.gz LQFGINLHKYTZFR-ZFWWWQNUSA-N 2 2 288.432 0.551 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]([C@@H](C)CO)C1CCCC1 ZINC000572852750 390807443 /nfs/dbraw/zinc/80/74/43/390807443.db2.gz LQFGINLHKYTZFR-ZFWWWQNUSA-N 2 2 288.432 0.551 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]([C@@H](C)CO)C1CCCC1 ZINC000572852750 390807448 /nfs/dbraw/zinc/80/74/48/390807448.db2.gz LQFGINLHKYTZFR-ZFWWWQNUSA-N 2 2 288.432 0.551 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]([C@@H](C)CO)C1CCCC1 ZINC000572852750 390807451 /nfs/dbraw/zinc/80/74/51/390807451.db2.gz LQFGINLHKYTZFR-ZFWWWQNUSA-N 2 2 288.432 0.551 20 0 CCADLP CC1(C)C[NH+](CC(=O)N[C@@H](CO)C[NH+]2CCCCC2)C1 ZINC000572661812 390796067 /nfs/dbraw/zinc/79/60/67/390796067.db2.gz SRVYPLXKOYCLCI-CYBMUJFWSA-N 2 2 283.416 0.291 20 0 CCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000529292053 390802222 /nfs/dbraw/zinc/80/22/22/390802222.db2.gz JFGSHITWEZDXRR-UONOGXRCSA-N 2 2 298.431 0.347 20 0 CCADLP O[C@H](C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)CC1(O)CCC1 ZINC000528474158 390748019 /nfs/dbraw/zinc/74/80/19/390748019.db2.gz HJYKIALPNQTRHK-LBPRGKRZSA-N 2 2 280.372 0.198 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)C[NH+]1CC(C)(C)C1 ZINC000577961358 390856326 /nfs/dbraw/zinc/85/63/26/390856326.db2.gz POKFYERWBOEPMI-LBPRGKRZSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)C[NH+]1CC(C)(C)C1 ZINC000577961358 390856328 /nfs/dbraw/zinc/85/63/28/390856328.db2.gz POKFYERWBOEPMI-LBPRGKRZSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC[C@H](O)C[NH+]1CCOCC1 ZINC000572869857 390808470 /nfs/dbraw/zinc/80/84/70/390808470.db2.gz UFIHKNWJVJBSDH-OAGGEKHMSA-N 2 2 299.459 0.390 20 0 CCADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC[C@H](O)C[NH+]1CCOCC1 ZINC000572869857 390808473 /nfs/dbraw/zinc/80/84/73/390808473.db2.gz UFIHKNWJVJBSDH-OAGGEKHMSA-N 2 2 299.459 0.390 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCc1ncn(C)n1 ZINC000647327015 390813132 /nfs/dbraw/zinc/81/31/32/390813132.db2.gz RRPAYXFWADOEDO-WCQYABFASA-N 2 2 263.389 0.820 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCc1ncn(C)n1 ZINC000647327015 390813136 /nfs/dbraw/zinc/81/31/36/390813136.db2.gz RRPAYXFWADOEDO-WCQYABFASA-N 2 2 263.389 0.820 20 0 CCADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1cn(C(C)(C)C)nn1 ZINC000647492645 390824420 /nfs/dbraw/zinc/82/44/20/390824420.db2.gz PQKMMUPSRSQKHQ-UHFFFAOYSA-N 2 2 280.420 0.370 20 0 CCADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cn(C(C)(C)C)nn1 ZINC000647492645 390824424 /nfs/dbraw/zinc/82/44/24/390824424.db2.gz PQKMMUPSRSQKHQ-UHFFFAOYSA-N 2 2 280.420 0.370 20 0 CCADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@H]([NH3+])c1cscn1 ZINC000574919259 390825432 /nfs/dbraw/zinc/82/54/32/390825432.db2.gz SOGDIQSUWCMIFQ-ZYHUDNBSSA-N 2 2 282.413 0.943 20 0 CCADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@H]([NH3+])c1cscn1 ZINC000574919259 390825436 /nfs/dbraw/zinc/82/54/36/390825436.db2.gz SOGDIQSUWCMIFQ-ZYHUDNBSSA-N 2 2 282.413 0.943 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)N(C)Cc2c[nH+]c[nH]2)CC[NH2+]1 ZINC000577868065 390850061 /nfs/dbraw/zinc/85/00/61/390850061.db2.gz QUQCHYOQIJSXDB-ZJUUUORDSA-N 2 2 251.334 0.692 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)N(C)Cc2c[nH]c[nH+]2)CC[NH2+]1 ZINC000577868065 390850062 /nfs/dbraw/zinc/85/00/62/390850062.db2.gz QUQCHYOQIJSXDB-ZJUUUORDSA-N 2 2 251.334 0.692 20 0 CCADLP CCNC(=O)N1CC[C@@H]([NH2+]Cc2c[nH+]c(C)n2C)C1 ZINC000577888140 390851995 /nfs/dbraw/zinc/85/19/95/390851995.db2.gz IRJQZGXQINVYAW-LLVKDONJSA-N 2 2 265.361 0.622 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000647632763 390854245 /nfs/dbraw/zinc/85/42/45/390854245.db2.gz QVTVERCZOAPZTL-CHWSQXEVSA-N 2 2 280.347 0.918 20 0 CCADLP C[NH2+]C[C@](C)(O)C[NH+]1CCN(Cc2csc(C)n2)CC1 ZINC000578659292 390897287 /nfs/dbraw/zinc/89/72/87/390897287.db2.gz LVAKRWJDWKUSTE-AWEZNQCLSA-N 2 2 298.456 0.540 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCc2ccccc2F)[C@H](C[NH3+])C1 ZINC000578848354 390903902 /nfs/dbraw/zinc/90/39/02/390903902.db2.gz IZDLYXWALHXTHK-GFCCVEGCSA-N 2 2 280.347 0.610 20 0 CCADLP C[N@H+]1CCN(C(=O)NCc2ccccc2F)[C@H](C[NH3+])C1 ZINC000578848354 390903903 /nfs/dbraw/zinc/90/39/03/390903903.db2.gz IZDLYXWALHXTHK-GFCCVEGCSA-N 2 2 280.347 0.610 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCc2ccccc2F)[C@@H](C[NH3+])C1 ZINC000578848356 390904032 /nfs/dbraw/zinc/90/40/32/390904032.db2.gz IZDLYXWALHXTHK-LBPRGKRZSA-N 2 2 280.347 0.610 20 0 CCADLP C[N@H+]1CCN(C(=O)NCc2ccccc2F)[C@@H](C[NH3+])C1 ZINC000578848356 390904034 /nfs/dbraw/zinc/90/40/34/390904034.db2.gz IZDLYXWALHXTHK-LBPRGKRZSA-N 2 2 280.347 0.610 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])C(C)C)C[C@@H]1C ZINC000423893582 533421352 /nfs/dbraw/zinc/42/13/52/533421352.db2.gz LIMHGUKAFCZGGG-AAEUAGOBSA-N 2 2 285.388 0.066 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]([NH3+])C(C)C)C[C@@H]1C ZINC000423893582 533421354 /nfs/dbraw/zinc/42/13/54/533421354.db2.gz LIMHGUKAFCZGGG-AAEUAGOBSA-N 2 2 285.388 0.066 20 0 CCADLP C[C@H](CC(=O)N(C)CC[NH+]1CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000423748957 533620451 /nfs/dbraw/zinc/62/04/51/533620451.db2.gz VDYGKHSOSUDOQI-CABCVRRESA-N 2 2 297.443 0.803 20 0 CCADLP CNC(=O)C[C@@H](C)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000341960969 130175383 /nfs/dbraw/zinc/17/53/83/130175383.db2.gz AFBRKAFWTYTPNP-ZYHUDNBSSA-N 2 2 259.419 0.538 20 0 CCADLP O=C(C[NH2+]Cc1cc[nH]n1)NCC[NH+]1CCCCCC1 ZINC000353675426 130243388 /nfs/dbraw/zinc/24/33/88/130243388.db2.gz UNCMAMAUWDZCMZ-UHFFFAOYSA-N 2 2 279.388 0.492 20 0 CCADLP CC(C)n1cc(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)nn1 ZINC000342104514 130263052 /nfs/dbraw/zinc/26/30/52/130263052.db2.gz ONQZSCOGOYRYLI-CYBMUJFWSA-N 2 2 280.420 0.585 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH2+]CC2([NH3+])CCC2)C[C@H](C)O1 ZINC000342129192 130286359 /nfs/dbraw/zinc/28/63/59/130286359.db2.gz BRRKUPDULFBOGB-PHIMTYICSA-N 2 2 255.362 0.093 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000192094819 130370029 /nfs/dbraw/zinc/37/00/29/130370029.db2.gz OUXIOSYCNFCXCN-VXGBXAGGSA-N 2 2 292.383 0.518 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)[C@@H]3C[NH2+]CCO3)cn21 ZINC000237767675 131056240 /nfs/dbraw/zinc/05/62/40/131056240.db2.gz KUGKSPQXKGZIJK-LBPRGKRZSA-N 2 2 274.324 0.247 20 0 CCADLP [NH3+]C1(C(=O)NCC[N@@H+]2CCc3sccc3C2)CC1 ZINC000237916250 131065752 /nfs/dbraw/zinc/06/57/52/131065752.db2.gz OUCXNFPRKIUENT-UHFFFAOYSA-N 2 2 265.382 0.714 20 0 CCADLP [NH3+]C1(C(=O)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC000237916250 131065753 /nfs/dbraw/zinc/06/57/53/131065753.db2.gz OUCXNFPRKIUENT-UHFFFAOYSA-N 2 2 265.382 0.714 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCCO2)C[C@@H]1C[NH3+] ZINC000253186271 131140935 /nfs/dbraw/zinc/14/09/35/131140935.db2.gz IPBJGEHLBLNKEQ-FRRDWIJNSA-N 2 2 269.389 0.198 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCO2)C[C@@H]1C[NH3+] ZINC000253186271 131140936 /nfs/dbraw/zinc/14/09/36/131140936.db2.gz IPBJGEHLBLNKEQ-FRRDWIJNSA-N 2 2 269.389 0.198 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000253152054 131141397 /nfs/dbraw/zinc/14/13/97/131141397.db2.gz INAZGOZRWBHDJE-UPJWGTAASA-N 2 2 269.389 0.211 20 0 CCADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000262080267 131189006 /nfs/dbraw/zinc/18/90/06/131189006.db2.gz CJADMRMWCRFBMY-MFKMUULPSA-N 2 2 278.356 0.213 20 0 CCADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)C2([NH3+])CC2)CC1 ZINC000262702387 131252397 /nfs/dbraw/zinc/25/23/97/131252397.db2.gz JBHZVILMRPLNQZ-UHFFFAOYSA-N 2 2 291.399 0.172 20 0 CCADLP CCN(CC)c1ccc(CNC(=O)C[C@H](C[NH3+])OC)c[nH+]1 ZINC000262852615 131268117 /nfs/dbraw/zinc/26/81/17/131268117.db2.gz KFTCFZYECITZMI-CYBMUJFWSA-N 2 2 294.399 0.908 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCC[NH+]1CCOCC1 ZINC000263677778 131307363 /nfs/dbraw/zinc/30/73/63/131307363.db2.gz MRPRZBVREXHYOT-UHFFFAOYSA-N 2 2 266.345 0.112 20 0 CCADLP O=C(C[NH2+]CC1CC1)NCc1cn2c([nH+]1)CCCC2 ZINC000269226796 132136380 /nfs/dbraw/zinc/13/63/80/132136380.db2.gz AOHNEEJATXBATH-UHFFFAOYSA-N 2 2 262.357 0.835 20 0 CCADLP COCc1n[nH]c(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)n1 ZINC000658157690 413107464 /nfs/dbraw/zinc/10/74/64/413107464.db2.gz UPCCQKMLPHACDG-TUAOUCFPSA-N 2 2 279.388 0.914 20 0 CCADLP COCc1n[nH]c(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)n1 ZINC000658157690 413107469 /nfs/dbraw/zinc/10/74/69/413107469.db2.gz UPCCQKMLPHACDG-TUAOUCFPSA-N 2 2 279.388 0.914 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C)[C@@H](C)[C@H]2C)C1 ZINC000356903464 144042676 /nfs/dbraw/zinc/04/26/76/144042676.db2.gz PNUNHCODANVLPS-XQQFMLRXSA-N 2 2 269.389 0.258 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C)[C@@H](C)[C@H]2C)C1 ZINC000356903464 144042677 /nfs/dbraw/zinc/04/26/77/144042677.db2.gz PNUNHCODANVLPS-XQQFMLRXSA-N 2 2 269.389 0.258 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)C1 ZINC000356903464 144042679 /nfs/dbraw/zinc/04/26/79/144042679.db2.gz PNUNHCODANVLPS-XQQFMLRXSA-N 2 2 269.389 0.258 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)C1 ZINC000356903464 144042681 /nfs/dbraw/zinc/04/26/81/144042681.db2.gz PNUNHCODANVLPS-XQQFMLRXSA-N 2 2 269.389 0.258 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C)[C@H](C)[C@@H]2C)C1 ZINC000356903459 144042959 /nfs/dbraw/zinc/04/29/59/144042959.db2.gz PNUNHCODANVLPS-AGIUHOORSA-N 2 2 269.389 0.258 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C)[C@H](C)[C@@H]2C)C1 ZINC000356903459 144042960 /nfs/dbraw/zinc/04/29/60/144042960.db2.gz PNUNHCODANVLPS-AGIUHOORSA-N 2 2 269.389 0.258 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)C1 ZINC000356903459 144042962 /nfs/dbraw/zinc/04/29/62/144042962.db2.gz PNUNHCODANVLPS-AGIUHOORSA-N 2 2 269.389 0.258 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)C1 ZINC000356903459 144042964 /nfs/dbraw/zinc/04/29/64/144042964.db2.gz PNUNHCODANVLPS-AGIUHOORSA-N 2 2 269.389 0.258 20 0 CCADLP c1nc2cnccn2c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357105877 144060921 /nfs/dbraw/zinc/06/09/21/144060921.db2.gz OFSKHBQWQCHPRM-NWDGAFQWSA-N 2 2 257.341 0.771 20 0 CCADLP c1nc2cnccn2c1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357105877 144060923 /nfs/dbraw/zinc/06/09/23/144060923.db2.gz OFSKHBQWQCHPRM-NWDGAFQWSA-N 2 2 257.341 0.771 20 0 CCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC000357233638 144071394 /nfs/dbraw/zinc/07/13/94/144071394.db2.gz FADSMCMCNPTWBR-ZNMIVQPWSA-N 2 2 297.443 0.896 20 0 CCADLP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC000357233638 144071396 /nfs/dbraw/zinc/07/13/96/144071396.db2.gz FADSMCMCNPTWBR-ZNMIVQPWSA-N 2 2 297.443 0.896 20 0 CCADLP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000357254504 144074950 /nfs/dbraw/zinc/07/49/50/144074950.db2.gz JJKXPZDWFUMHEN-UONOGXRCSA-N 2 2 283.416 0.421 20 0 CCADLP CCOCCOC[C@H](O)C[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000357848263 144126103 /nfs/dbraw/zinc/12/61/03/144126103.db2.gz KEEAKVXNZGNIAX-MJBXVCDLSA-N 2 2 274.405 0.330 20 0 CCADLP CCOCCOC[C@H](O)C[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000357848263 144126104 /nfs/dbraw/zinc/12/61/04/144126104.db2.gz KEEAKVXNZGNIAX-MJBXVCDLSA-N 2 2 274.405 0.330 20 0 CCADLP CCOCCOC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000357857698 144127098 /nfs/dbraw/zinc/12/70/98/144127098.db2.gz VOBXDGDRTDVWDZ-UMVBOHGHSA-N 2 2 286.416 0.615 20 0 CCADLP CCOCCOC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000357857698 144127099 /nfs/dbraw/zinc/12/70/99/144127099.db2.gz VOBXDGDRTDVWDZ-UMVBOHGHSA-N 2 2 286.416 0.615 20 0 CCADLP CCS(=O)(=O)N(C)CCC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000358004169 144141747 /nfs/dbraw/zinc/14/17/47/144141747.db2.gz KVFQZEWTEDNVIO-RYUDHWBXSA-N 2 2 277.434 0.198 20 0 CCADLP CCS(=O)(=O)N(C)CCC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000358004169 144141745 /nfs/dbraw/zinc/14/17/45/144141745.db2.gz KVFQZEWTEDNVIO-RYUDHWBXSA-N 2 2 277.434 0.198 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1cccc(C(N)=O)c1 ZINC000358098566 144151567 /nfs/dbraw/zinc/15/15/67/144151567.db2.gz POYFDVUPWCPIBW-BXUZGUMPSA-N 2 2 261.369 0.868 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1cccc(C(N)=O)c1 ZINC000358098566 144151569 /nfs/dbraw/zinc/15/15/69/144151569.db2.gz POYFDVUPWCPIBW-BXUZGUMPSA-N 2 2 261.369 0.868 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCc1c[nH+]cn1C ZINC000358114275 144153632 /nfs/dbraw/zinc/15/36/32/144153632.db2.gz FWNHWJGDHDJWMG-NSHDSACASA-N 2 2 267.377 0.948 20 0 CCADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1c[nH+]cn1C ZINC000358114275 144153634 /nfs/dbraw/zinc/15/36/34/144153634.db2.gz FWNHWJGDHDJWMG-NSHDSACASA-N 2 2 267.377 0.948 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)CN2CCn3cc[nH+]c3C2)C[C@@H](C)O1 ZINC000358540632 144160350 /nfs/dbraw/zinc/16/03/50/144160350.db2.gz HQLJVMPINOXEEB-MCIONIFRSA-N 2 2 294.399 0.169 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN2CCn3cc[nH+]c3C2)C[C@@H](C)O1 ZINC000358540635 144160436 /nfs/dbraw/zinc/16/04/36/144160436.db2.gz HQLJVMPINOXEEB-MGPQQGTHSA-N 2 2 294.399 0.169 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CC[NH2+][C@H](C)C1 ZINC000358681820 144172114 /nfs/dbraw/zinc/17/21/14/144172114.db2.gz BTEUOAMEUJDJCW-MCIONIFRSA-N 2 2 282.432 0.127 20 0 CCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CC[NH2+][C@H](C)C1 ZINC000358681818 144172165 /nfs/dbraw/zinc/17/21/65/144172165.db2.gz BTEUOAMEUJDJCW-HZSPNIEDSA-N 2 2 282.432 0.127 20 0 CCADLP C[C@H](C(=O)N1C[C@@H](C)[NH+](C)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000358727408 144176748 /nfs/dbraw/zinc/17/67/48/144176748.db2.gz RLFNEJAPWGMQCE-MGPQQGTHSA-N 2 2 282.432 0.173 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(C[NH+](C)C)on1 ZINC000359155187 144197505 /nfs/dbraw/zinc/19/75/05/144197505.db2.gz CZXHKOSCUZAYJN-JTQLQIEISA-N 2 2 277.328 0.751 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cccnc3)C2)CC1 ZINC000369273878 144261592 /nfs/dbraw/zinc/26/15/92/144261592.db2.gz KLBSMRNXOGQMHZ-AWEZNQCLSA-N 2 2 288.395 0.980 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cccnc3)C2)CC1 ZINC000369273878 144261593 /nfs/dbraw/zinc/26/15/93/144261593.db2.gz KLBSMRNXOGQMHZ-AWEZNQCLSA-N 2 2 288.395 0.980 20 0 CCADLP CCCNC(=O)[C@H](C)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000369359961 144265491 /nfs/dbraw/zinc/26/54/91/144265491.db2.gz UDGVKAXSZOACED-LSDHHAIUSA-N 2 2 296.459 0.613 20 0 CCADLP CCCNC(=O)[C@H](C)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000369359961 144265492 /nfs/dbraw/zinc/26/54/92/144265492.db2.gz UDGVKAXSZOACED-LSDHHAIUSA-N 2 2 296.459 0.613 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@](O)(C3CC3)C2)CC1 ZINC000370081702 144290226 /nfs/dbraw/zinc/29/02/26/144290226.db2.gz KAOHNDXNIGCSKR-CJNGLKHVSA-N 2 2 295.427 0.386 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@](O)(C3CC3)C2)CC1 ZINC000370081702 144290228 /nfs/dbraw/zinc/29/02/28/144290228.db2.gz KAOHNDXNIGCSKR-CJNGLKHVSA-N 2 2 295.427 0.386 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC(=O)N1CCC1 ZINC000371301193 144326179 /nfs/dbraw/zinc/32/61/79/144326179.db2.gz SQZCMSOWBRUABF-MCIONIFRSA-N 2 2 281.400 0.402 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC(=O)N1CCC1 ZINC000371301193 144326181 /nfs/dbraw/zinc/32/61/81/144326181.db2.gz SQZCMSOWBRUABF-MCIONIFRSA-N 2 2 281.400 0.402 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2)Cn1cc[nH+]c1 ZINC000372425339 144366898 /nfs/dbraw/zinc/36/68/98/144366898.db2.gz HZIIJIYKNXDDAK-DYEKYZERSA-N 2 2 262.357 0.635 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000388872858 397507930 /nfs/dbraw/zinc/50/79/30/397507930.db2.gz RMHAGKHGHRLGFI-RDBSUJKOSA-N 2 2 274.405 0.282 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000388872858 397507933 /nfs/dbraw/zinc/50/79/33/397507933.db2.gz RMHAGKHGHRLGFI-RDBSUJKOSA-N 2 2 274.405 0.282 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000388872858 397507937 /nfs/dbraw/zinc/50/79/37/397507937.db2.gz RMHAGKHGHRLGFI-RDBSUJKOSA-N 2 2 274.405 0.282 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000388872858 397507942 /nfs/dbraw/zinc/50/79/42/397507942.db2.gz RMHAGKHGHRLGFI-RDBSUJKOSA-N 2 2 274.405 0.282 20 0 CCADLP CCc1cnc(CN2CC[N@H+](C)C[C@H]2C[NH3+])s1 ZINC000394751229 397518996 /nfs/dbraw/zinc/51/89/96/397518996.db2.gz UAYGWBTXNSGJCN-SNVBAGLBSA-N 2 2 254.403 0.780 20 0 CCADLP CCc1cnc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])s1 ZINC000394751229 397518999 /nfs/dbraw/zinc/51/89/99/397518999.db2.gz UAYGWBTXNSGJCN-SNVBAGLBSA-N 2 2 254.403 0.780 20 0 CCADLP CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000649417914 397609832 /nfs/dbraw/zinc/60/98/32/397609832.db2.gz NXYJZWKWJCQSLU-KBPBESRZSA-N 2 2 291.399 0.062 20 0 CCADLP CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000649417914 397609835 /nfs/dbraw/zinc/60/98/35/397609835.db2.gz NXYJZWKWJCQSLU-KBPBESRZSA-N 2 2 291.399 0.062 20 0 CCADLP Cc1nn(C)c(C)c1NC(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000649420011 397610098 /nfs/dbraw/zinc/61/00/98/397610098.db2.gz VUWOYZWZYKNRON-LBPRGKRZSA-N 2 2 293.415 0.953 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)N(C)Cc1cnn(C)c1 ZINC000649420204 397610373 /nfs/dbraw/zinc/61/03/73/397610373.db2.gz LVYSQUHVYUEFPP-XUJVJEKNSA-N 2 2 293.415 0.355 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+](C[C@@H]3CCC(=O)N3)CC2)c1 ZINC000649509501 397625440 /nfs/dbraw/zinc/62/54/40/397625440.db2.gz ADWOTKHKNKRYBH-LBPRGKRZSA-N 2 2 290.367 0.491 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000548585920 286050532 /nfs/dbraw/zinc/05/05/32/286050532.db2.gz VXKCTCBNJNHTQG-NWDGAFQWSA-N 2 2 264.373 0.952 20 0 CCADLP C[NH+](C)C1(C[NH2+]C[C@@H]2CNc3ccnn3C2)CCC1 ZINC000684194271 545626085 /nfs/dbraw/zinc/62/60/85/545626085.db2.gz DRRJMNHYWMSNPO-GFCCVEGCSA-N 2 2 263.389 0.999 20 0 CCADLP CCOCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000430615303 286067173 /nfs/dbraw/zinc/06/71/73/286067173.db2.gz BDGAALLRLBFXCS-KGLIPLIRSA-N 2 2 285.432 0.849 20 0 CCADLP CCOCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000430615303 286067174 /nfs/dbraw/zinc/06/71/74/286067174.db2.gz BDGAALLRLBFXCS-KGLIPLIRSA-N 2 2 285.432 0.849 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420367617 286069940 /nfs/dbraw/zinc/06/99/40/286069940.db2.gz MXFDZQWDCSYWCL-RFQIPJPRSA-N 2 2 285.432 0.894 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420390007 286094337 /nfs/dbraw/zinc/09/43/37/286094337.db2.gz XUGZNJMDAYYTSG-CQSZACIVSA-N 2 2 269.389 0.215 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420390007 286094339 /nfs/dbraw/zinc/09/43/39/286094339.db2.gz XUGZNJMDAYYTSG-CQSZACIVSA-N 2 2 269.389 0.215 20 0 CCADLP Cc1cc(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)cc[nH+]1 ZINC000551696179 286123626 /nfs/dbraw/zinc/12/36/26/286123626.db2.gz MCZQIOPAOVVNHW-CYBMUJFWSA-N 2 2 260.341 0.140 20 0 CCADLP Cc1cc(NC(=O)[C@H]2C[N@H+]3CCN2CCC3)cc[nH+]1 ZINC000551696179 286123628 /nfs/dbraw/zinc/12/36/28/286123628.db2.gz MCZQIOPAOVVNHW-CYBMUJFWSA-N 2 2 260.341 0.140 20 0 CCADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cnnn3C)C2)CC1 ZINC000552091977 286152199 /nfs/dbraw/zinc/15/21/99/286152199.db2.gz DQOGMCSXRPRYMF-AWEZNQCLSA-N 2 2 292.431 0.415 20 0 CCADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnnn3C)C2)CC1 ZINC000552091977 286152201 /nfs/dbraw/zinc/15/22/01/286152201.db2.gz DQOGMCSXRPRYMF-AWEZNQCLSA-N 2 2 292.431 0.415 20 0 CCADLP Cc1ccc([C@H](CNC(=O)[C@@H](C)[NH3+])[NH+]2CCOCC2)cc1 ZINC000165673948 292253519 /nfs/dbraw/zinc/25/35/19/292253519.db2.gz AANLOBVFAONBIQ-HIFRSBDPSA-N 2 2 291.395 0.832 20 0 CCADLP CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000333320217 286630084 /nfs/dbraw/zinc/63/00/84/286630084.db2.gz UIBYKPKUKJXPRN-WOPDTQHZSA-N 2 2 260.403 0.684 20 0 CCADLP CC[NH2+]Cc1cn(CC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000111150040 411701764 /nfs/dbraw/zinc/70/17/64/411701764.db2.gz YPEGQNIXXKSLJW-UHFFFAOYSA-N 3 2 268.409 0.271 20 0 CCADLP CC[NH2+]Cc1cn(CC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000111150040 411701768 /nfs/dbraw/zinc/70/17/68/411701768.db2.gz YPEGQNIXXKSLJW-UHFFFAOYSA-N 3 2 268.409 0.271 20 0 CCADLP COc1cc(C)[nH+]c(CN(C)CCN2CC[NH2+]CC2)c1 ZINC000214081256 411733934 /nfs/dbraw/zinc/73/39/34/411733934.db2.gz XYMMVGWXFZWEDS-UHFFFAOYSA-N 2 2 278.400 0.736 20 0 CCADLP CCO[C@@H]1C[N@H+](Cc2cnn(CC)c2)C[C@H]1C[NH3+] ZINC000405823460 411804002 /nfs/dbraw/zinc/80/40/02/411804002.db2.gz XEFVYMWLZHXOGV-CHWSQXEVSA-N 2 2 252.362 0.699 20 0 CCADLP CCO[C@@H]1C[N@@H+](Cc2cnn(CC)c2)C[C@H]1C[NH3+] ZINC000405823460 411804006 /nfs/dbraw/zinc/80/40/06/411804006.db2.gz XEFVYMWLZHXOGV-CHWSQXEVSA-N 2 2 252.362 0.699 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCOCC2CC2)C[C@@H](C)O1 ZINC000521994741 411825815 /nfs/dbraw/zinc/82/58/15/411825815.db2.gz GACQDQSSWXDXIR-UMVBOHGHSA-N 2 2 286.416 0.473 20 0 CCADLP C[C@H](CCCCO)[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000651379308 411857416 /nfs/dbraw/zinc/85/74/16/411857416.db2.gz LOZLWSJYJJDBRR-ZIAGYGMSSA-N 2 2 258.406 0.974 20 0 CCADLP C[C@H](CCCCO)[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000651379308 411857418 /nfs/dbraw/zinc/85/74/18/411857418.db2.gz LOZLWSJYJJDBRR-ZIAGYGMSSA-N 2 2 258.406 0.974 20 0 CCADLP C[C@H](c1nnnn1C)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352653 412036541 /nfs/dbraw/zinc/03/65/41/412036541.db2.gz JBGLZVQNKPKSMR-SCVCMEIPSA-N 2 2 250.350 0.332 20 0 CCADLP C[C@H](c1nnnn1C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352653 412036545 /nfs/dbraw/zinc/03/65/45/412036545.db2.gz JBGLZVQNKPKSMR-SCVCMEIPSA-N 2 2 250.350 0.332 20 0 CCADLP Cn1ncnc1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652363980 412040412 /nfs/dbraw/zinc/04/04/12/412040412.db2.gz UAAFLSOKIBSZBP-JHJVBQTASA-N 2 2 279.388 0.676 20 0 CCADLP Cn1ncnc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652363980 412040413 /nfs/dbraw/zinc/04/04/13/412040413.db2.gz UAAFLSOKIBSZBP-JHJVBQTASA-N 2 2 279.388 0.676 20 0 CCADLP CO[C@H]1C[C@@H](CN(C)C(=O)CCc2c[nH+]cn2C)[N@H+](C)C1 ZINC000284611289 196095927 /nfs/dbraw/zinc/09/59/27/196095927.db2.gz BDOKGICFYJHYFV-KBPBESRZSA-N 2 2 294.399 0.530 20 0 CCADLP CO[C@H]1C[C@@H](CN(C)C(=O)CCc2c[nH+]cn2C)[N@@H+](C)C1 ZINC000284611289 196095929 /nfs/dbraw/zinc/09/59/29/196095929.db2.gz BDOKGICFYJHYFV-KBPBESRZSA-N 2 2 294.399 0.530 20 0 CCADLP Cc1ccc(NC(=O)C(=O)NCCC2(C[NH3+])CC2)c(C)[nH+]1 ZINC000652634639 412076648 /nfs/dbraw/zinc/07/66/48/412076648.db2.gz MMFONWIHSAJBEE-UHFFFAOYSA-N 2 2 290.367 0.882 20 0 CCADLP CC(C)c1cc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)on1 ZINC000653091466 412214464 /nfs/dbraw/zinc/21/44/64/412214464.db2.gz VYJNBKORYDKOFL-NSHDSACASA-N 2 2 268.361 0.693 20 0 CCADLP C[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C(=O)Nc1ccccc1 ZINC000653090000 412214801 /nfs/dbraw/zinc/21/48/01/412214801.db2.gz BCIDXCLTPLEDIB-WCQYABFASA-N 2 2 292.383 0.409 20 0 CCADLP C[NH2+]CCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653045037 412198397 /nfs/dbraw/zinc/19/83/97/412198397.db2.gz PMFPTGBGOIHOPT-UHFFFAOYSA-N 2 2 250.346 0.488 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000653093446 412215276 /nfs/dbraw/zinc/21/52/76/412215276.db2.gz CVOLVFZMGLOWIB-NNYUYHANSA-N 2 2 269.389 0.195 20 0 CCADLP CN(CCOc1ccc(F)cc1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653062380 412205725 /nfs/dbraw/zinc/20/57/25/412205725.db2.gz YVVALVADPFEURV-CQSZACIVSA-N 2 2 297.374 0.942 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1cccc2c1OCO2 ZINC000653075666 412209953 /nfs/dbraw/zinc/20/99/53/412209953.db2.gz WHKMXSLTMFFDRW-NSHDSACASA-N 2 2 279.340 0.311 20 0 CCADLP C[C@H](COc1cccc(F)c1)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653076360 412210287 /nfs/dbraw/zinc/21/02/87/412210287.db2.gz SJSKLTMPQDUJFJ-BXUZGUMPSA-N 2 2 297.374 0.988 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCOC1CCCCC1 ZINC000653077384 412210516 /nfs/dbraw/zinc/21/05/16/412210516.db2.gz ZRAPUKXWPXIHPV-ZDUSSCGKSA-N 2 2 271.405 0.731 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCCOc1ccc(F)cc1 ZINC000653080314 412211229 /nfs/dbraw/zinc/21/12/29/412211229.db2.gz BRJNUPAYYHPRMZ-AWEZNQCLSA-N 2 2 297.374 0.990 20 0 CCADLP COc1ccc2c(c1)CCN2C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653082004 412211386 /nfs/dbraw/zinc/21/13/86/412211386.db2.gz GAPHUOFNZXDSAP-CYBMUJFWSA-N 2 2 277.368 0.863 20 0 CCADLP C[NH2+]Cc1ccccc1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653214827 412259702 /nfs/dbraw/zinc/25/97/02/412259702.db2.gz CQYYEYZDGNHHQA-AWEZNQCLSA-N 3 2 278.400 0.301 20 0 CCADLP C[C@H](COCC1CC1)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653255327 412271944 /nfs/dbraw/zinc/27/19/44/412271944.db2.gz OXPOHQUMWLLDBN-PWSUYJOCSA-N 2 2 257.378 0.197 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CCS1 ZINC000653092948 412215940 /nfs/dbraw/zinc/21/59/40/412215940.db2.gz QQJZISOEKDAEOX-GHMZBOCLSA-N 2 2 259.419 0.619 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC[C@@]2(CCCOC2)C1 ZINC000653095523 412217856 /nfs/dbraw/zinc/21/78/56/412217856.db2.gz LTIGOGKYFMKAKK-UKRRQHHQSA-N 2 2 283.416 0.685 20 0 CCADLP CC(C)C[C@@H](CCO)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653101877 412218713 /nfs/dbraw/zinc/21/87/13/412218713.db2.gz IVFGIXUVFRDSES-OLZOCXBDSA-N 2 2 273.421 0.426 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC(C)(C)[C@@H]1CCCCO1 ZINC000653104532 412220501 /nfs/dbraw/zinc/22/05/01/412220501.db2.gz KJQVRBADHQBYLO-OLZOCXBDSA-N 2 2 285.432 0.977 20 0 CCADLP C[C@@H]1CCC[N@H+](CCNC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653109919 412222704 /nfs/dbraw/zinc/22/27/04/412222704.db2.gz RHLKCSVMGOWPPX-CHWSQXEVSA-N 3 2 270.421 0.114 20 0 CCADLP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653109919 412222706 /nfs/dbraw/zinc/22/27/06/412222706.db2.gz RHLKCSVMGOWPPX-CHWSQXEVSA-N 3 2 270.421 0.114 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000653112455 412223891 /nfs/dbraw/zinc/22/38/91/412223891.db2.gz ZDGXMGQUHYCXRY-LSDHHAIUSA-N 3 2 296.459 0.742 20 0 CCADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653112696 412224540 /nfs/dbraw/zinc/22/45/40/412224540.db2.gz HOMDJEKMKRUBFR-UONOGXRCSA-N 3 2 298.475 0.892 20 0 CCADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653112696 412224542 /nfs/dbraw/zinc/22/45/42/412224542.db2.gz HOMDJEKMKRUBFR-UONOGXRCSA-N 3 2 298.475 0.892 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000653116369 412225226 /nfs/dbraw/zinc/22/52/26/412225226.db2.gz DVXXNUUIWQELKW-CYBMUJFWSA-N 3 2 288.355 0.485 20 0 CCADLP CCN(Cc1ccccn1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653119830 412229986 /nfs/dbraw/zinc/22/99/86/412229986.db2.gz XYGAGDFJAYLCAX-ZDUSSCGKSA-N 2 2 264.373 0.709 20 0 CCADLP CCN(Cc1ccccn1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653119829 412230364 /nfs/dbraw/zinc/23/03/64/412230364.db2.gz XYGAGDFJAYLCAX-CYBMUJFWSA-N 2 2 264.373 0.709 20 0 CCADLP C[C@@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccncc1 ZINC000653122728 412231200 /nfs/dbraw/zinc/23/12/00/412231200.db2.gz BUEQZWPTKAVNJN-WCQYABFASA-N 2 2 264.373 0.580 20 0 CCADLP [NH3+]CC(F)(F)CC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000653122103 412232412 /nfs/dbraw/zinc/23/24/12/412232412.db2.gz LXDDCYZNPJZMHM-NSHDSACASA-N 2 2 291.342 0.151 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N(Cc1ccncc1)C1CC1 ZINC000653147805 412241706 /nfs/dbraw/zinc/24/17/06/412241706.db2.gz AXPBMKVZKSLKIP-CQSZACIVSA-N 2 2 276.384 0.852 20 0 CCADLP CCN(Cc1ccncc1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653148384 412242251 /nfs/dbraw/zinc/24/22/51/412242251.db2.gz YVVXINGQJKQWGQ-ZDUSSCGKSA-N 2 2 264.373 0.709 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CCO1 ZINC000653150606 412243721 /nfs/dbraw/zinc/24/37/21/412243721.db2.gz HAKIAUCOTYBUFD-NWDGAFQWSA-N 2 2 257.378 0.149 20 0 CCADLP CCc1[nH]n(C)c2nnc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1-2 ZINC000653151842 412244008 /nfs/dbraw/zinc/24/40/08/412244008.db2.gz VPRVGXVRTNHZBP-MRVPVSSYSA-N 2 2 293.375 0.076 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000653158486 412247315 /nfs/dbraw/zinc/24/73/15/412247315.db2.gz ASFVHERNYQPCRZ-FRRDWIJNSA-N 2 2 285.432 0.521 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC1CCC(F)CC1 ZINC000653167828 412249961 /nfs/dbraw/zinc/24/99/61/412249961.db2.gz FRSRUZSLJZVLKS-HTAVTVPLSA-N 2 2 259.369 0.910 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000653165117 412250103 /nfs/dbraw/zinc/25/01/03/412250103.db2.gz QFUMGTPXMOANJV-OLZOCXBDSA-N 3 2 276.384 0.182 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000653499586 412308155 /nfs/dbraw/zinc/30/81/55/412308155.db2.gz SZZIJMKVMORZKW-QWHCGFSZSA-N 2 2 266.389 0.902 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000653499586 412308156 /nfs/dbraw/zinc/30/81/56/412308156.db2.gz SZZIJMKVMORZKW-QWHCGFSZSA-N 2 2 266.389 0.902 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000653499586 412308159 /nfs/dbraw/zinc/30/81/59/412308159.db2.gz SZZIJMKVMORZKW-QWHCGFSZSA-N 2 2 266.389 0.902 20 0 CCADLP CCC(=O)N[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)CC)C1 ZINC000653526651 412311638 /nfs/dbraw/zinc/31/16/38/412311638.db2.gz JUVUFVOEUNVNHM-CHWSQXEVSA-N 2 2 271.405 0.290 20 0 CCADLP CCC(=O)N[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)CC)C1 ZINC000653526651 412311642 /nfs/dbraw/zinc/31/16/42/412311642.db2.gz JUVUFVOEUNVNHM-CHWSQXEVSA-N 2 2 271.405 0.290 20 0 CCADLP CCC(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000653526651 412311647 /nfs/dbraw/zinc/31/16/47/412311647.db2.gz JUVUFVOEUNVNHM-CHWSQXEVSA-N 2 2 271.405 0.290 20 0 CCADLP CCC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)CC)C1 ZINC000653526651 412311650 /nfs/dbraw/zinc/31/16/50/412311650.db2.gz JUVUFVOEUNVNHM-CHWSQXEVSA-N 2 2 271.405 0.290 20 0 CCADLP CC[N@H+](CCCc1c[nH+]cn1C)[C@H]1CCS(=O)(=O)C1 ZINC000653572710 412320645 /nfs/dbraw/zinc/32/06/45/412320645.db2.gz VYNVPHLHTYHKEO-ZDUSSCGKSA-N 2 2 285.413 0.862 20 0 CCADLP CC[N@@H+](CCCc1c[nH+]cn1C)[C@H]1CCS(=O)(=O)C1 ZINC000653572710 412320649 /nfs/dbraw/zinc/32/06/49/412320649.db2.gz VYNVPHLHTYHKEO-ZDUSSCGKSA-N 2 2 285.413 0.862 20 0 CCADLP CC[N@H+](C)C[C@@H](O)CN1CCn2cc(C)[nH+]c2C1 ZINC000653612505 412323864 /nfs/dbraw/zinc/32/38/64/412323864.db2.gz SIUIZZMQPRTNQF-GFCCVEGCSA-N 2 2 252.362 0.320 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)CN1CCn2cc(C)[nH+]c2C1 ZINC000653612505 412323867 /nfs/dbraw/zinc/32/38/67/412323867.db2.gz SIUIZZMQPRTNQF-GFCCVEGCSA-N 2 2 252.362 0.320 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)Cc1cnccc1C ZINC000653654033 412331347 /nfs/dbraw/zinc/33/13/47/412331347.db2.gz WZHRGFNXWJKUKC-HNNXBMFYSA-N 2 2 281.400 0.761 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)Cc1cnccc1C ZINC000653654033 412331350 /nfs/dbraw/zinc/33/13/50/412331350.db2.gz WZHRGFNXWJKUKC-HNNXBMFYSA-N 2 2 281.400 0.761 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)Cc1cnccc1C ZINC000653654033 412331355 /nfs/dbraw/zinc/33/13/55/412331355.db2.gz WZHRGFNXWJKUKC-HNNXBMFYSA-N 2 2 281.400 0.761 20 0 CCADLP COc1ccnc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000653347297 412292273 /nfs/dbraw/zinc/29/22/73/412292273.db2.gz ZQKNBGHCHYJYRI-JTQLQIEISA-N 2 2 252.318 0.308 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000654890435 412448555 /nfs/dbraw/zinc/44/85/55/412448555.db2.gz VZSXGOXNLWELKF-UONOGXRCSA-N 2 2 281.400 0.261 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000654890435 412448557 /nfs/dbraw/zinc/44/85/57/412448557.db2.gz VZSXGOXNLWELKF-UONOGXRCSA-N 2 2 281.400 0.261 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000654928706 412451378 /nfs/dbraw/zinc/45/13/78/412451378.db2.gz JJSCDQCBGBSDNC-MDZLAQPJSA-N 2 2 280.372 0.424 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000654928706 412451380 /nfs/dbraw/zinc/45/13/80/412451380.db2.gz JJSCDQCBGBSDNC-MDZLAQPJSA-N 2 2 280.372 0.424 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000654928706 412451383 /nfs/dbraw/zinc/45/13/83/412451383.db2.gz JJSCDQCBGBSDNC-MDZLAQPJSA-N 2 2 280.372 0.424 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000654928706 412451384 /nfs/dbraw/zinc/45/13/84/412451384.db2.gz JJSCDQCBGBSDNC-MDZLAQPJSA-N 2 2 280.372 0.424 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000659425663 413489462 /nfs/dbraw/zinc/48/94/62/413489462.db2.gz OQXFJYITLIWVBX-NSHDSACASA-N 2 2 272.393 0.004 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000659484236 413539935 /nfs/dbraw/zinc/53/99/35/413539935.db2.gz QQKKBVBCWLYEIQ-VHSXEESVSA-N 2 2 251.334 0.105 20 0 CCADLP CN(CC(C)(C)[NH3+])C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000659484638 413540873 /nfs/dbraw/zinc/54/08/73/413540873.db2.gz XTHITKSCCIUDCA-JTQLQIEISA-N 2 2 265.361 0.577 20 0 CCADLP O=C(Nc1ccc(-n2cc[nH+]c2)nc1)[C@H]1CCC[NH2+]1 ZINC000035230841 172070802 /nfs/dbraw/zinc/07/08/02/172070802.db2.gz QQGFGZWLNAQHHG-LLVKDONJSA-N 2 2 257.297 0.958 20 0 CCADLP C[C@@H](NC(=O)N[C@@H]1CC[NH2+][C@H](C)C1)c1[nH+]ccn1C ZINC000659541323 413628926 /nfs/dbraw/zinc/62/89/26/413628926.db2.gz ICCCZGMEDOQZGH-GMTAPVOTSA-N 2 2 265.361 0.921 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC[NH2+]1 ZINC000659543564 413632033 /nfs/dbraw/zinc/63/20/33/413632033.db2.gz QXCAYGFYDBMWHR-MGPQQGTHSA-N 2 2 296.415 0.243 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000659536528 413622019 /nfs/dbraw/zinc/62/20/19/413622019.db2.gz IHMSCPQFXTWMFH-MCIONIFRSA-N 2 2 296.415 0.372 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@@]2(C)CC2(F)F)[C@@H](C[NH3+])C1 ZINC000659600064 413682562 /nfs/dbraw/zinc/68/25/62/413682562.db2.gz KHLQRJYZUBKMOK-GXSJLCMTSA-N 2 2 276.331 0.316 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@@]2(C)CC2(F)F)[C@@H](C[NH3+])C1 ZINC000659600064 413682572 /nfs/dbraw/zinc/68/25/72/413682572.db2.gz KHLQRJYZUBKMOK-GXSJLCMTSA-N 2 2 276.331 0.316 20 0 CCADLP C[C@H](NC(=O)N1C[C@H](C[NH3+])C[C@H]1C)c1[nH+]ccn1C ZINC000659627283 413723910 /nfs/dbraw/zinc/72/39/10/413723910.db2.gz GXZMMBVDCWCMSK-VWYCJHECSA-N 2 2 265.361 0.860 20 0 CCADLP CCC(=O)N[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000659863776 413920271 /nfs/dbraw/zinc/92/02/71/413920271.db2.gz JEWVHHKWVCSQJC-UONOGXRCSA-N 2 2 285.432 0.678 20 0 CCADLP CCC(=O)N[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000659863776 413920274 /nfs/dbraw/zinc/92/02/74/413920274.db2.gz JEWVHHKWVCSQJC-UONOGXRCSA-N 2 2 285.432 0.678 20 0 CCADLP CCC(=O)N[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000659863776 413920276 /nfs/dbraw/zinc/92/02/76/413920276.db2.gz JEWVHHKWVCSQJC-UONOGXRCSA-N 2 2 285.432 0.678 20 0 CCADLP CCC(=O)N[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000659863776 413920277 /nfs/dbraw/zinc/92/02/77/413920277.db2.gz JEWVHHKWVCSQJC-UONOGXRCSA-N 2 2 285.432 0.678 20 0 CCADLP CCC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000659863773 413921641 /nfs/dbraw/zinc/92/16/41/413921641.db2.gz JEWVHHKWVCSQJC-KGLIPLIRSA-N 2 2 285.432 0.678 20 0 CCADLP CCC(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000659863773 413921648 /nfs/dbraw/zinc/92/16/48/413921648.db2.gz JEWVHHKWVCSQJC-KGLIPLIRSA-N 2 2 285.432 0.678 20 0 CCADLP CCC(=O)N[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000659863773 413921655 /nfs/dbraw/zinc/92/16/55/413921655.db2.gz JEWVHHKWVCSQJC-KGLIPLIRSA-N 2 2 285.432 0.678 20 0 CCADLP CCC(=O)N[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1 ZINC000659863773 413921664 /nfs/dbraw/zinc/92/16/64/413921664.db2.gz JEWVHHKWVCSQJC-KGLIPLIRSA-N 2 2 285.432 0.678 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)CCn1cccn1 ZINC000659920530 413973147 /nfs/dbraw/zinc/97/31/47/413973147.db2.gz XEEMNCDZCAWVJB-ZDUSSCGKSA-N 2 2 254.378 0.516 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)CCn1cccn1 ZINC000659920530 413973157 /nfs/dbraw/zinc/97/31/57/413973157.db2.gz XEEMNCDZCAWVJB-ZDUSSCGKSA-N 2 2 254.378 0.516 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)CCn1cccn1 ZINC000659920530 413973164 /nfs/dbraw/zinc/97/31/64/413973164.db2.gz XEEMNCDZCAWVJB-ZDUSSCGKSA-N 2 2 254.378 0.516 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)CCn1cccn1 ZINC000659920530 413973174 /nfs/dbraw/zinc/97/31/74/413973174.db2.gz XEEMNCDZCAWVJB-ZDUSSCGKSA-N 2 2 254.378 0.516 20 0 CCADLP CCN1CC[C@H]([N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000659955099 414002020 /nfs/dbraw/zinc/00/20/20/414002020.db2.gz IMDORXBECWKQIR-KGLIPLIRSA-N 2 2 281.400 0.261 20 0 CCADLP CCN1CC[C@H]([N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000659955099 414002024 /nfs/dbraw/zinc/00/20/24/414002024.db2.gz IMDORXBECWKQIR-KGLIPLIRSA-N 2 2 281.400 0.261 20 0 CCADLP CCN1CC[C@H]([N@@H+]2CC[C@@H](C[NH+](C)CC)C2)C1=O ZINC000659989699 414027572 /nfs/dbraw/zinc/02/75/72/414027572.db2.gz RHKGPZXALZSNQP-STQMWFEESA-N 2 2 253.390 0.881 20 0 CCADLP CCN1CC[C@H]([N@H+]2CC[C@@H](C[NH+](C)CC)C2)C1=O ZINC000659989699 414027576 /nfs/dbraw/zinc/02/75/76/414027576.db2.gz RHKGPZXALZSNQP-STQMWFEESA-N 2 2 253.390 0.881 20 0 CCADLP CCN1CC[C@H]([NH+]2CC[C@@H](C[N@H+](C)CC)C2)C1=O ZINC000659989699 414027579 /nfs/dbraw/zinc/02/75/79/414027579.db2.gz RHKGPZXALZSNQP-STQMWFEESA-N 2 2 253.390 0.881 20 0 CCADLP CCN1CC[C@H]([NH+]2CC[C@@H](C[N@@H+](C)CC)C2)C1=O ZINC000659989699 414027582 /nfs/dbraw/zinc/02/75/82/414027582.db2.gz RHKGPZXALZSNQP-STQMWFEESA-N 2 2 253.390 0.881 20 0 CCADLP C[C@@H](C[NH3+])C(=O)NCCCCNc1cccc[nH+]1 ZINC000285770795 196393953 /nfs/dbraw/zinc/39/39/53/196393953.db2.gz LWIJAENZFDDEET-NSHDSACASA-N 2 2 250.346 0.985 20 0 CCADLP C[NH2+][C@@H](C(=O)NCc1ccn2cc[nH+]c2c1)c1cnn(C)c1 ZINC000285789697 196398423 /nfs/dbraw/zinc/39/84/23/196398423.db2.gz OMUDYDVWLKMQIR-CQSZACIVSA-N 2 2 298.350 0.645 20 0 CCADLP CCN1CC[C@H]([N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1=O ZINC000660128849 414140126 /nfs/dbraw/zinc/14/01/26/414140126.db2.gz NVIBLNKOKNGQJV-NEPJUHHUSA-N 2 2 262.357 0.830 20 0 CCADLP CCN1CC[C@H]([N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1=O ZINC000660128849 414140134 /nfs/dbraw/zinc/14/01/34/414140134.db2.gz NVIBLNKOKNGQJV-NEPJUHHUSA-N 2 2 262.357 0.830 20 0 CCADLP CN(CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1[nH]cc[nH+]1 ZINC000660144794 414147613 /nfs/dbraw/zinc/14/76/13/414147613.db2.gz ZRTPXRAACVJXAJ-UHFFFAOYSA-N 2 2 291.399 0.585 20 0 CCADLP COc1cc(C[N@H+](C)CCCN2CC[NH+](C)CC2)on1 ZINC000660145599 414150773 /nfs/dbraw/zinc/15/07/73/414150773.db2.gz SWWURBDVZVTORL-UHFFFAOYSA-N 2 2 282.388 0.753 20 0 CCADLP COc1cc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)on1 ZINC000660145599 414150784 /nfs/dbraw/zinc/15/07/84/414150784.db2.gz SWWURBDVZVTORL-UHFFFAOYSA-N 2 2 282.388 0.753 20 0 CCADLP COC[C@H](C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)OC ZINC000660419735 414306004 /nfs/dbraw/zinc/30/60/04/414306004.db2.gz LBYGCCCBUKSDRH-NSHDSACASA-N 2 2 254.334 0.193 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)CN(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000660435457 414313704 /nfs/dbraw/zinc/31/37/04/414313704.db2.gz GYESZLIVKFDZIB-GJZGRUSLSA-N 2 2 287.448 0.340 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)CN(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000660435457 414313712 /nfs/dbraw/zinc/31/37/12/414313712.db2.gz GYESZLIVKFDZIB-GJZGRUSLSA-N 2 2 287.448 0.340 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)CN1CCOCC1 ZINC000660435457 414313718 /nfs/dbraw/zinc/31/37/18/414313718.db2.gz GYESZLIVKFDZIB-GJZGRUSLSA-N 2 2 287.448 0.340 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)CN1CCOCC1 ZINC000660435457 414313724 /nfs/dbraw/zinc/31/37/24/414313724.db2.gz GYESZLIVKFDZIB-GJZGRUSLSA-N 2 2 287.448 0.340 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)CN1CCOCC1 ZINC000660435457 414313729 /nfs/dbraw/zinc/31/37/29/414313729.db2.gz GYESZLIVKFDZIB-GJZGRUSLSA-N 2 2 287.448 0.340 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)CN1CCOCC1 ZINC000660435457 414313737 /nfs/dbraw/zinc/31/37/37/414313737.db2.gz GYESZLIVKFDZIB-GJZGRUSLSA-N 2 2 287.448 0.340 20 0 CCADLP CCNC(=O)CC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660472235 414343839 /nfs/dbraw/zinc/34/38/39/414343839.db2.gz IICGGEBQXKQVBY-AWEZNQCLSA-N 2 2 283.416 0.699 20 0 CCADLP CCNC(=O)CC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660472235 414343847 /nfs/dbraw/zinc/34/38/47/414343847.db2.gz IICGGEBQXKQVBY-AWEZNQCLSA-N 2 2 283.416 0.699 20 0 CCADLP C([C@H]1COCCO1)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660475616 414351300 /nfs/dbraw/zinc/35/13/00/414351300.db2.gz TXLVNCKHQYDJCX-CABCVRRESA-N 2 2 284.400 0.589 20 0 CCADLP C([C@H]1COCCO1)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660475616 414351310 /nfs/dbraw/zinc/35/13/10/414351310.db2.gz TXLVNCKHQYDJCX-CABCVRRESA-N 2 2 284.400 0.589 20 0 CCADLP C[C@H]1NC(=O)N(CC[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000660665096 414434124 /nfs/dbraw/zinc/43/41/24/414434124.db2.gz UDUBBWBIODAHAM-DOMZBBRYSA-N 2 2 294.399 0.344 20 0 CCADLP C[C@H]1NC(=O)N(CC[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000660665096 414434129 /nfs/dbraw/zinc/43/41/29/414434129.db2.gz UDUBBWBIODAHAM-DOMZBBRYSA-N 2 2 294.399 0.344 20 0 CCADLP C[C@H]1NC(=O)N(CC[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)C1=O ZINC000660665096 414434134 /nfs/dbraw/zinc/43/41/34/414434134.db2.gz UDUBBWBIODAHAM-DOMZBBRYSA-N 2 2 294.399 0.344 20 0 CCADLP C[C@H]1NC(=O)N(CC[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000660665096 414434140 /nfs/dbraw/zinc/43/41/40/414434140.db2.gz UDUBBWBIODAHAM-DOMZBBRYSA-N 2 2 294.399 0.344 20 0 CCADLP CC(=O)[C@@](C)(O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660664214 414434890 /nfs/dbraw/zinc/43/48/90/414434890.db2.gz QTKBPUIECSFVMS-KBPBESRZSA-N 2 2 254.374 0.744 20 0 CCADLP CC(=O)[C@@](C)(O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660664214 414434897 /nfs/dbraw/zinc/43/48/97/414434897.db2.gz QTKBPUIECSFVMS-KBPBESRZSA-N 2 2 254.374 0.744 20 0 CCADLP CC(=O)[C@@](C)(O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660664214 414434901 /nfs/dbraw/zinc/43/49/01/414434901.db2.gz QTKBPUIECSFVMS-KBPBESRZSA-N 2 2 254.374 0.744 20 0 CCADLP CC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660664214 414434906 /nfs/dbraw/zinc/43/49/06/414434906.db2.gz QTKBPUIECSFVMS-KBPBESRZSA-N 2 2 254.374 0.744 20 0 CCADLP CC(C)C[NH2+]C1(CO)CC[NH+]([C@@H](C)C(=O)N(C)C)CC1 ZINC000660692774 414444684 /nfs/dbraw/zinc/44/46/84/414444684.db2.gz RYCPQBSFJSQCMQ-ZDUSSCGKSA-N 2 2 285.432 0.536 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000660703381 414451349 /nfs/dbraw/zinc/45/13/49/414451349.db2.gz BDFDKDBIDIGIDE-LLVKDONJSA-N 2 2 281.360 0.272 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000660703381 414451354 /nfs/dbraw/zinc/45/13/54/414451354.db2.gz BDFDKDBIDIGIDE-LLVKDONJSA-N 2 2 281.360 0.272 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000660703381 414451358 /nfs/dbraw/zinc/45/13/58/414451358.db2.gz BDFDKDBIDIGIDE-LLVKDONJSA-N 2 2 281.360 0.272 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000660703381 414451365 /nfs/dbraw/zinc/45/13/65/414451365.db2.gz BDFDKDBIDIGIDE-LLVKDONJSA-N 2 2 281.360 0.272 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000661046090 414547834 /nfs/dbraw/zinc/54/78/34/414547834.db2.gz PXBIYUVMTOUUCN-OLZOCXBDSA-N 2 2 291.399 0.981 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000661046090 414547839 /nfs/dbraw/zinc/54/78/39/414547839.db2.gz PXBIYUVMTOUUCN-OLZOCXBDSA-N 2 2 291.399 0.981 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000660847405 414505907 /nfs/dbraw/zinc/50/59/07/414505907.db2.gz PMJKFEBBXMOGAB-LLVKDONJSA-N 2 2 265.361 0.893 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000660847405 414505910 /nfs/dbraw/zinc/50/59/10/414505910.db2.gz PMJKFEBBXMOGAB-LLVKDONJSA-N 2 2 265.361 0.893 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000660847405 414505912 /nfs/dbraw/zinc/50/59/12/414505912.db2.gz PMJKFEBBXMOGAB-LLVKDONJSA-N 2 2 265.361 0.893 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000660847405 414505914 /nfs/dbraw/zinc/50/59/14/414505914.db2.gz PMJKFEBBXMOGAB-LLVKDONJSA-N 2 2 265.361 0.893 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1[C@@H](C)CO ZINC000661440455 414627098 /nfs/dbraw/zinc/62/70/98/414627098.db2.gz HPCWMWVRISPSPA-KKUMJFAQSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1[C@@H](C)CO ZINC000661440455 414627103 /nfs/dbraw/zinc/62/71/03/414627103.db2.gz HPCWMWVRISPSPA-KKUMJFAQSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1[C@@H](C)CO ZINC000661440455 414627108 /nfs/dbraw/zinc/62/71/08/414627108.db2.gz HPCWMWVRISPSPA-KKUMJFAQSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1[C@@H](C)CO ZINC000661440455 414627113 /nfs/dbraw/zinc/62/71/13/414627113.db2.gz HPCWMWVRISPSPA-KKUMJFAQSA-N 2 2 288.432 0.408 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)CC1=CCCOC1 ZINC000661655991 414660793 /nfs/dbraw/zinc/66/07/93/414660793.db2.gz BHMIUYDLJHCHND-UHFFFAOYSA-N 2 2 267.373 0.039 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)CC1=CCCOC1 ZINC000661655991 414660795 /nfs/dbraw/zinc/66/07/95/414660795.db2.gz BHMIUYDLJHCHND-UHFFFAOYSA-N 2 2 267.373 0.039 20 0 CCADLP Cc1nc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)co1 ZINC000662266174 414703111 /nfs/dbraw/zinc/70/31/11/414703111.db2.gz KDJRNHHWPIKBLT-CYBMUJFWSA-N 2 2 278.356 0.379 20 0 CCADLP Cc1nc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)co1 ZINC000662266174 414703112 /nfs/dbraw/zinc/70/31/12/414703112.db2.gz KDJRNHHWPIKBLT-CYBMUJFWSA-N 2 2 278.356 0.379 20 0 CCADLP CN(C)c1noc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)n1 ZINC000662267508 414703240 /nfs/dbraw/zinc/70/32/40/414703240.db2.gz WETQCUGPPHUAHX-DCAQKATOSA-N 2 2 265.361 0.695 20 0 CCADLP CN(C)c1noc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)n1 ZINC000662267508 414703241 /nfs/dbraw/zinc/70/32/41/414703241.db2.gz WETQCUGPPHUAHX-DCAQKATOSA-N 2 2 265.361 0.695 20 0 CCADLP c1nnc([C@H]2CCC[N@@H+](C[C@H]3C[NH2+]CCO3)C2)n1C1CC1 ZINC000662276711 414704653 /nfs/dbraw/zinc/70/46/53/414704653.db2.gz LITKCEFADBOKHV-GXTWGEPZSA-N 2 2 291.399 0.781 20 0 CCADLP c1nnc([C@H]2CCC[N@H+](C[C@H]3C[NH2+]CCO3)C2)n1C1CC1 ZINC000662276711 414704654 /nfs/dbraw/zinc/70/46/54/414704654.db2.gz LITKCEFADBOKHV-GXTWGEPZSA-N 2 2 291.399 0.781 20 0 CCADLP CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@@H]3C[NH2+]CCO3)[C@@H]2C1 ZINC000662279824 414705159 /nfs/dbraw/zinc/70/51/59/414705159.db2.gz MANHASKZCCCCBY-RQJABVFESA-N 2 2 270.373 0.243 20 0 CCADLP CO[C@@H]1CC[C@@H]2OCC[N@@H+](C[C@@H]3C[NH2+]CCO3)[C@@H]2C1 ZINC000662279824 414705160 /nfs/dbraw/zinc/70/51/60/414705160.db2.gz MANHASKZCCCCBY-RQJABVFESA-N 2 2 270.373 0.243 20 0 CCADLP [NH3+]CC12CCC(CC1)C[N@H+]2C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662284980 414706030 /nfs/dbraw/zinc/70/60/30/414706030.db2.gz SRWXRZAYAJAJLJ-MOKVOYLWSA-N 3 2 265.401 0.711 20 0 CCADLP COc1cccc(NC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)c1 ZINC000662285504 414706181 /nfs/dbraw/zinc/70/61/81/414706181.db2.gz BWXRAONTBDFJGB-UHFFFAOYSA-N 2 2 293.367 0.338 20 0 CCADLP CO[C@@H](C[N@H+](CC[NH3+])C[C@@H](O)CO)C1CCCCC1 ZINC000662286634 414706696 /nfs/dbraw/zinc/70/66/96/414706696.db2.gz UNUWRHLURAYFDT-KGLIPLIRSA-N 2 2 274.405 0.196 20 0 CCADLP CO[C@@H](C[N@@H+](CC[NH3+])C[C@@H](O)CO)C1CCCCC1 ZINC000662286634 414706697 /nfs/dbraw/zinc/70/66/97/414706697.db2.gz UNUWRHLURAYFDT-KGLIPLIRSA-N 2 2 274.405 0.196 20 0 CCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)Nc1ccccc1 ZINC000662286694 414706728 /nfs/dbraw/zinc/70/67/28/414706728.db2.gz XPKXXMKWRZPHGA-UHFFFAOYSA-N 2 2 263.341 0.329 20 0 CCADLP CCCNC(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662314678 414708857 /nfs/dbraw/zinc/70/88/57/414708857.db2.gz AOAVFQVWHOFBPF-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP CCCNC(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662314678 414708858 /nfs/dbraw/zinc/70/88/58/414708858.db2.gz AOAVFQVWHOFBPF-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321002 414709204 /nfs/dbraw/zinc/70/92/04/414709204.db2.gz YTAWLOUISYXUHH-OCCSQVGLSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321002 414709205 /nfs/dbraw/zinc/70/92/05/414709205.db2.gz YTAWLOUISYXUHH-OCCSQVGLSA-N 2 2 283.416 0.696 20 0 CCADLP CCOc1ccc(N2CC[NH+](CCC[NH2+]C)CC2)nn1 ZINC000662327664 414710394 /nfs/dbraw/zinc/71/03/94/414710394.db2.gz STRHOGYIKKTCKO-UHFFFAOYSA-N 2 2 279.388 0.607 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661853586 414681211 /nfs/dbraw/zinc/68/12/11/414681211.db2.gz VYXGDNXDLXCELE-HZSPNIEDSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661853586 414681212 /nfs/dbraw/zinc/68/12/12/414681212.db2.gz VYXGDNXDLXCELE-HZSPNIEDSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661853586 414681214 /nfs/dbraw/zinc/68/12/14/414681214.db2.gz VYXGDNXDLXCELE-HZSPNIEDSA-N 2 2 274.405 0.425 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H](C)[C@@](C)(CO)C2)CC1 ZINC000662137463 414692444 /nfs/dbraw/zinc/69/24/44/414692444.db2.gz UEVINFMVCRDZHJ-OFQRWUPVSA-N 2 2 297.443 0.489 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@H](C)[C@@](C)(CO)C2)CC1 ZINC000662137463 414692445 /nfs/dbraw/zinc/69/24/45/414692445.db2.gz UEVINFMVCRDZHJ-OFQRWUPVSA-N 2 2 297.443 0.489 20 0 CCADLP CCN1CC[C@H]([NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1=O ZINC000662147778 414692612 /nfs/dbraw/zinc/69/26/12/414692612.db2.gz GEHWSXZMCVXBTG-KGLIPLIRSA-N 2 2 281.400 0.138 20 0 CCADLP CCN1CC[C@H]([NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)C1=O ZINC000662147778 414692613 /nfs/dbraw/zinc/69/26/13/414692613.db2.gz GEHWSXZMCVXBTG-KGLIPLIRSA-N 2 2 281.400 0.138 20 0 CCADLP CCn1cc(CC[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cn1 ZINC000662152165 414693756 /nfs/dbraw/zinc/69/37/56/414693756.db2.gz PXXRJMCUIADETJ-MRXNPFEDSA-N 2 2 292.427 0.977 20 0 CCADLP CCn1cc(CC[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cn1 ZINC000662152165 414693757 /nfs/dbraw/zinc/69/37/57/414693757.db2.gz PXXRJMCUIADETJ-MRXNPFEDSA-N 2 2 292.427 0.977 20 0 CCADLP CCC[N@H+](C)CC(C)(C)NC[C@H](O)C[NH+]1CCOCC1 ZINC000662173371 414695643 /nfs/dbraw/zinc/69/56/43/414695643.db2.gz JKLMCUUFPRVSRI-AWEZNQCLSA-N 2 2 287.448 0.390 20 0 CCADLP CCC[N@@H+](C)CC(C)(C)NC[C@H](O)C[NH+]1CCOCC1 ZINC000662173371 414695644 /nfs/dbraw/zinc/69/56/44/414695644.db2.gz JKLMCUUFPRVSRI-AWEZNQCLSA-N 2 2 287.448 0.390 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2coc(S(N)(=O)=O)c2)C1 ZINC000662244049 414698751 /nfs/dbraw/zinc/69/87/51/414698751.db2.gz FVJNINHADVFHSW-ONGXEEELSA-N 2 2 287.385 0.486 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2coc(S(N)(=O)=O)c2)C1 ZINC000662244049 414698752 /nfs/dbraw/zinc/69/87/52/414698752.db2.gz FVJNINHADVFHSW-ONGXEEELSA-N 2 2 287.385 0.486 20 0 CCADLP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662252779 414699665 /nfs/dbraw/zinc/69/96/65/414699665.db2.gz OTHFMYIHCDKIJU-ZNMIVQPWSA-N 2 2 297.443 0.992 20 0 CCADLP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662252779 414699666 /nfs/dbraw/zinc/69/96/66/414699666.db2.gz OTHFMYIHCDKIJU-ZNMIVQPWSA-N 2 2 297.443 0.992 20 0 CCADLP O=C1CCCCN1CC1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662254456 414699845 /nfs/dbraw/zinc/69/98/45/414699845.db2.gz IHBVTGAFSLNECT-OAHLLOKOSA-N 2 2 295.427 0.699 20 0 CCADLP CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662252550 414700110 /nfs/dbraw/zinc/70/01/10/414700110.db2.gz AGHLQSPENVEQHP-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP CCN(CC)C(=O)[C@H]1CCC[N@H+]1C[C@H]1C[NH2+]CCO1 ZINC000662252550 414700111 /nfs/dbraw/zinc/70/01/11/414700111.db2.gz AGHLQSPENVEQHP-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP C[N@@H+]1CCN(C(=O)c2cncc3ccccc32)[C@@H](C[NH3+])C1 ZINC000662427648 414717472 /nfs/dbraw/zinc/71/74/72/414717472.db2.gz AEXQVTHKAPMAEM-ZDUSSCGKSA-N 2 2 284.363 0.950 20 0 CCADLP C[N@H+]1CCN(C(=O)c2cncc3ccccc32)[C@@H](C[NH3+])C1 ZINC000662427648 414717473 /nfs/dbraw/zinc/71/74/73/414717473.db2.gz AEXQVTHKAPMAEM-ZDUSSCGKSA-N 2 2 284.363 0.950 20 0 CCADLP C[C@@H]1Cc2cc(C(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])ccc2O1 ZINC000662429651 414717744 /nfs/dbraw/zinc/71/77/44/414717744.db2.gz QJJVAHPBJMPBTM-BXUZGUMPSA-N 2 2 289.379 0.725 20 0 CCADLP C[C@@H]1Cc2cc(C(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])ccc2O1 ZINC000662429651 414717745 /nfs/dbraw/zinc/71/77/45/414717745.db2.gz QJJVAHPBJMPBTM-BXUZGUMPSA-N 2 2 289.379 0.725 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000662447581 414719226 /nfs/dbraw/zinc/71/92/26/414719226.db2.gz ALEMYQRIJIEPMG-LBPRGKRZSA-N 2 2 279.388 0.062 20 0 CCADLP CC(C)[NH2+]CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000662479463 414721756 /nfs/dbraw/zinc/72/17/56/414721756.db2.gz PHQJYFFPBQJKNX-CYBMUJFWSA-N 2 2 269.389 0.308 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662584072 414730164 /nfs/dbraw/zinc/73/01/64/414730164.db2.gz KYEJUAJIYOZAED-RVMXOQNASA-N 2 2 271.405 0.598 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662584072 414730165 /nfs/dbraw/zinc/73/01/65/414730165.db2.gz KYEJUAJIYOZAED-RVMXOQNASA-N 2 2 271.405 0.598 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000662629160 414734377 /nfs/dbraw/zinc/73/43/77/414734377.db2.gz CLGQHDTZBNGHQS-UTUOFQBUSA-N 2 2 257.378 0.195 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000662629160 414734378 /nfs/dbraw/zinc/73/43/78/414734378.db2.gz CLGQHDTZBNGHQS-UTUOFQBUSA-N 2 2 257.378 0.195 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662634077 414735911 /nfs/dbraw/zinc/73/59/11/414735911.db2.gz QFEKGOIVLRJKGD-CRWXNKLISA-N 2 2 283.416 0.600 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662634077 414735912 /nfs/dbraw/zinc/73/59/12/414735912.db2.gz QFEKGOIVLRJKGD-CRWXNKLISA-N 2 2 283.416 0.600 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000662634080 414735949 /nfs/dbraw/zinc/73/59/49/414735949.db2.gz QFEKGOIVLRJKGD-MQYQWHSLSA-N 2 2 283.416 0.600 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000662634080 414735950 /nfs/dbraw/zinc/73/59/50/414735950.db2.gz QFEKGOIVLRJKGD-MQYQWHSLSA-N 2 2 283.416 0.600 20 0 CCADLP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000662672017 414739411 /nfs/dbraw/zinc/73/94/11/414739411.db2.gz UGARZMPBXKDGHB-QWHCGFSZSA-N 2 2 288.351 0.357 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662681967 414740326 /nfs/dbraw/zinc/74/03/26/414740326.db2.gz IGJULCZTFIKGRP-LBPRGKRZSA-N 2 2 281.400 0.485 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])c[nH+]1 ZINC000662680354 414740519 /nfs/dbraw/zinc/74/05/19/414740519.db2.gz VVHNOKAVOXNPBM-NWDGAFQWSA-N 2 2 278.356 0.128 20 0 CCADLP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000662685237 414741033 /nfs/dbraw/zinc/74/10/33/414741033.db2.gz QROYUJFLKSFJSL-STQMWFEESA-N 2 2 292.383 0.242 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)[C@@H]3CCO[C@H]3C[NH3+])cn2c1 ZINC000662687408 414741157 /nfs/dbraw/zinc/74/11/57/414741157.db2.gz BTJAMHSGJXXLJN-OLZOCXBDSA-N 2 2 288.351 0.623 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662702675 414743754 /nfs/dbraw/zinc/74/37/54/414743754.db2.gz CESGTSFJTKKHHX-ZDUSSCGKSA-N 2 2 283.416 0.413 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000662857221 414850022 /nfs/dbraw/zinc/85/00/22/414850022.db2.gz ILGFBHZHPBPNJH-HNNXBMFYSA-N 3 2 284.448 0.376 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000662857221 414850025 /nfs/dbraw/zinc/85/00/25/414850025.db2.gz ILGFBHZHPBPNJH-HNNXBMFYSA-N 3 2 284.448 0.376 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)c2c[nH+]ccc2N)[C@@H](C)CO1 ZINC000662860963 414852560 /nfs/dbraw/zinc/85/25/60/414852560.db2.gz WFNIOHUJOKQIBR-WDEREUQCSA-N 2 2 278.356 0.333 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)c2c[nH+]ccc2N)[C@@H](C)CO1 ZINC000662860963 414852566 /nfs/dbraw/zinc/85/25/66/414852566.db2.gz WFNIOHUJOKQIBR-WDEREUQCSA-N 2 2 278.356 0.333 20 0 CCADLP C[C@H](NC(=O)C[NH2+]C[C@H]1CCCO1)c1[nH+]ccn1C ZINC000662935637 414906036 /nfs/dbraw/zinc/90/60/36/414906036.db2.gz WXXJJQWCZCADIE-WDEREUQCSA-N 2 2 266.345 0.366 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)c1cn(CCC[NH3+])nn1 ZINC000662900781 414880301 /nfs/dbraw/zinc/88/03/01/414880301.db2.gz AMVJUAVJEFTLMO-SNVBAGLBSA-N 2 2 291.359 0.334 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)COC1(C)C[NH2+]C1 ZINC000662898977 414880927 /nfs/dbraw/zinc/88/09/27/414880927.db2.gz BVBIDCOMZCZHCR-JTQLQIEISA-N 2 2 266.345 0.459 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662901713 414882666 /nfs/dbraw/zinc/88/26/66/414882666.db2.gz YNUJBQJQMBXZOL-YDHLFZDLSA-N 3 2 296.459 0.597 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662901713 414882670 /nfs/dbraw/zinc/88/26/70/414882670.db2.gz YNUJBQJQMBXZOL-YDHLFZDLSA-N 3 2 296.459 0.597 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662909272 414884128 /nfs/dbraw/zinc/88/41/28/414884128.db2.gz CCQISGHAGBQYRE-CQSZACIVSA-N 2 2 283.416 0.541 20 0 CCADLP C[C@@H](NC(=O)CC[C@@H]1CC[NH2+]C1)c1[nH+]ccn1C ZINC000662932776 414901685 /nfs/dbraw/zinc/90/16/85/414901685.db2.gz FTFZBPISPJZWNX-GHMZBOCLSA-N 2 2 250.346 0.987 20 0 CCADLP C[C@@H](NC(=O)[C@H]1CCC[NH2+]CC1)c1[nH+]ccn1C ZINC000662934405 414903598 /nfs/dbraw/zinc/90/35/98/414903598.db2.gz NWBOLXJAOKMONE-MNOVXSKESA-N 2 2 250.346 0.987 20 0 CCADLP Nc1[nH+]cnc(NCCC[NH+]2CCC(O)CC2)c1Cl ZINC000663403751 415059945 /nfs/dbraw/zinc/05/99/45/415059945.db2.gz ZQZUITXNXCAGFA-UHFFFAOYSA-N 2 2 285.779 0.971 20 0 CCADLP c1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)nc(N2CCOCC2)[nH+]1 ZINC000663424944 415062777 /nfs/dbraw/zinc/06/27/77/415062777.db2.gz KLQJUZBDLDUEMW-GFCCVEGCSA-N 2 2 289.383 0.962 20 0 CCADLP c1cc(N[C@@H]2CC[N@H+](C3CC3)C2)nc(N2CCOCC2)[nH+]1 ZINC000663424944 415062783 /nfs/dbraw/zinc/06/27/83/415062783.db2.gz KLQJUZBDLDUEMW-GFCCVEGCSA-N 2 2 289.383 0.962 20 0 CCADLP [NH3+]C[C@H]1CCC[N@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000044529300 175194073 /nfs/dbraw/zinc/19/40/73/175194073.db2.gz XTEBSEZSOQPURB-SNVBAGLBSA-N 2 2 278.381 0.927 20 0 CCADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000044529300 175194074 /nfs/dbraw/zinc/19/40/74/175194074.db2.gz XTEBSEZSOQPURB-SNVBAGLBSA-N 2 2 278.381 0.927 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1cocn1 ZINC000664037913 415214346 /nfs/dbraw/zinc/21/43/46/415214346.db2.gz HBLGPKNZXIZIRE-UHFFFAOYSA-N 2 2 283.376 0.357 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1cocn1 ZINC000664037913 415214357 /nfs/dbraw/zinc/21/43/57/415214357.db2.gz HBLGPKNZXIZIRE-UHFFFAOYSA-N 2 2 283.376 0.357 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC/C=C/CO)C2)CC1 ZINC000664131465 415248620 /nfs/dbraw/zinc/24/86/20/415248620.db2.gz YCCACKRITDTRMD-YWVDXFKGSA-N 2 2 296.415 0.003 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC/C=C/CO)C2)CC1 ZINC000664131465 415248623 /nfs/dbraw/zinc/24/86/23/415248623.db2.gz YCCACKRITDTRMD-YWVDXFKGSA-N 2 2 296.415 0.003 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC/C=C\CO)C2)CC1 ZINC000664131468 415249948 /nfs/dbraw/zinc/24/99/48/415249948.db2.gz YCCACKRITDTRMD-ZRMMWKCHSA-N 2 2 296.415 0.003 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC/C=C\CO)C2)CC1 ZINC000664131468 415249954 /nfs/dbraw/zinc/24/99/54/415249954.db2.gz YCCACKRITDTRMD-ZRMMWKCHSA-N 2 2 296.415 0.003 20 0 CCADLP CN(C)c1nc(NCC[N@H+](C)CCC[NH+](C)C)cc[nH+]1 ZINC000664247550 415299519 /nfs/dbraw/zinc/29/95/19/415299519.db2.gz BBYFEKCDPIYURA-UHFFFAOYSA-N 3 2 280.420 0.838 20 0 CCADLP CN(C)c1nc(NCC[N@@H+](C)CCC[NH+](C)C)cc[nH+]1 ZINC000664247550 415299525 /nfs/dbraw/zinc/29/95/25/415299525.db2.gz BBYFEKCDPIYURA-UHFFFAOYSA-N 3 2 280.420 0.838 20 0 CCADLP Cc1nc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc[nH+]1 ZINC000664600840 415430633 /nfs/dbraw/zinc/43/06/33/415430633.db2.gz YCFHFXDKEGWPHK-CYBMUJFWSA-N 2 2 262.357 0.820 20 0 CCADLP Cc1nc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc[nH+]1 ZINC000664600840 415430639 /nfs/dbraw/zinc/43/06/39/415430639.db2.gz YCFHFXDKEGWPHK-CYBMUJFWSA-N 2 2 262.357 0.820 20 0 CCADLP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1nc(C(N)=O)cs1 ZINC000665272468 415583354 /nfs/dbraw/zinc/58/33/54/415583354.db2.gz FWUIBFMPSLFQJU-DTWKUNHWSA-N 2 2 268.386 0.720 20 0 CCADLP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000665287027 415585418 /nfs/dbraw/zinc/58/54/18/415585418.db2.gz ABNKWZHVPRODCI-HIFRSBDPSA-N 3 2 296.459 0.517 20 0 CCADLP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000665287027 415585422 /nfs/dbraw/zinc/58/54/22/415585422.db2.gz ABNKWZHVPRODCI-HIFRSBDPSA-N 3 2 296.459 0.517 20 0 CCADLP CCS(=O)(=O)C1(C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)CC1 ZINC000665276049 415585691 /nfs/dbraw/zinc/58/56/91/415585691.db2.gz XNUBONYDONYOMB-NEPJUHHUSA-N 2 2 290.429 0.310 20 0 CCADLP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(S(N)(=O)=O)cc1 ZINC000665277870 415586065 /nfs/dbraw/zinc/58/60/65/415586065.db2.gz NUXPGFSHMBSVAZ-IFQILLTASA-N 2 2 295.408 0.737 20 0 CCADLP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000665282332 415586755 /nfs/dbraw/zinc/58/67/55/415586755.db2.gz VXYFPOQZASGEHJ-HZSPNIEDSA-N 3 2 255.406 0.716 20 0 CCADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000665298185 415590153 /nfs/dbraw/zinc/59/01/53/415590153.db2.gz TXRIDLNHLOJZGK-IINYFYTJSA-N 2 2 297.424 0.909 20 0 CCADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000665294081 415591515 /nfs/dbraw/zinc/59/15/15/415591515.db2.gz HOQXIHCOXRDQJR-BDAKNGLRSA-N 3 2 251.334 0.000 20 0 CCADLP CCn1nccc1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000665299277 415591603 /nfs/dbraw/zinc/59/16/03/415591603.db2.gz JUTBBLMADWRGLA-KGLIPLIRSA-N 2 2 264.373 0.760 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NCCOc2ccccc2)C1 ZINC000071145510 176041916 /nfs/dbraw/zinc/04/19/16/176041916.db2.gz ACBKZHIBZDOWED-AWEZNQCLSA-N 2 2 291.395 0.723 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NCCOc2ccccc2)C1 ZINC000071145510 176041918 /nfs/dbraw/zinc/04/19/18/176041918.db2.gz ACBKZHIBZDOWED-AWEZNQCLSA-N 2 2 291.395 0.723 20 0 CCADLP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1cccc(F)c1 ZINC000071150222 176045306 /nfs/dbraw/zinc/04/53/06/176045306.db2.gz NAAIDRMYMPWKPJ-UHFFFAOYSA-N 2 2 294.374 0.601 20 0 CCADLP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1cccc(F)c1 ZINC000071150222 176045308 /nfs/dbraw/zinc/04/53/08/176045308.db2.gz NAAIDRMYMPWKPJ-UHFFFAOYSA-N 2 2 294.374 0.601 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000071276055 176106933 /nfs/dbraw/zinc/10/69/33/176106933.db2.gz XBYAZCIRHUKHKZ-CYBMUJFWSA-N 2 2 270.336 0.751 20 0 CCADLP C[NH+](C)C1(C(=O)N2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000665626254 416468210 /nfs/dbraw/zinc/46/82/10/416468210.db2.gz UIFDHQQUEIJPRW-UHFFFAOYSA-N 2 2 288.395 0.820 20 0 CCADLP c1nc(N2CC[N@H+]3CCCC[C@@H]3C2)c2c([nH+]1)NCCO2 ZINC000665691489 416475061 /nfs/dbraw/zinc/47/50/61/416475061.db2.gz OMCCFXHXPOAXPT-LLVKDONJSA-N 2 2 275.356 0.955 20 0 CCADLP c1nc(N2CC[N@@H+]3CCCC[C@@H]3C2)c2c([nH+]1)NCCO2 ZINC000665691489 416475066 /nfs/dbraw/zinc/47/50/66/416475066.db2.gz OMCCFXHXPOAXPT-LLVKDONJSA-N 2 2 275.356 0.955 20 0 CCADLP CC(C)[NH+]1CCC(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000171654365 335073345 /nfs/dbraw/zinc/07/33/45/335073345.db2.gz XDYTYUUZUAJZNI-UHFFFAOYSA-N 2 2 283.416 0.555 20 0 CCADLP CCOC(=O)N1CCC([NH2+][C@@H]2CC[N@H+](C)C2)CC1 ZINC000042545605 544428975 /nfs/dbraw/zinc/42/89/75/544428975.db2.gz HTBHJFDIRZGBNM-GFCCVEGCSA-N 2 2 255.362 0.901 20 0 CCADLP CCOC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C)C2)CC1 ZINC000042545605 544428976 /nfs/dbraw/zinc/42/89/76/544428976.db2.gz HTBHJFDIRZGBNM-GFCCVEGCSA-N 2 2 255.362 0.901 20 0 CCADLP C[C@]1(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CCC[NH2+]1 ZINC000079516478 544474167 /nfs/dbraw/zinc/47/41/67/544474167.db2.gz AXEYVYXNFICEHX-UKRRQHHQSA-N 2 2 281.400 0.452 20 0 CCADLP O=C(NCc1c[nH+]c[nH]1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000088751058 544510665 /nfs/dbraw/zinc/51/06/65/544510665.db2.gz BIMXCLROGVFVEA-VIFPVBQESA-N 2 2 262.235 0.568 20 0 CCADLP O=C(NCc1c[nH]c[nH+]1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000088751058 544510668 /nfs/dbraw/zinc/51/06/68/544510668.db2.gz BIMXCLROGVFVEA-VIFPVBQESA-N 2 2 262.235 0.568 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000091592204 544528146 /nfs/dbraw/zinc/52/81/46/544528146.db2.gz AKVPZUNKJJBAEO-OAHLLOKOSA-N 2 2 290.411 0.924 20 0 CCADLP C[NH+](C)CCn1cc(NC(=O)NCc2[nH]cc[nH+]2)cn1 ZINC000121561460 544576522 /nfs/dbraw/zinc/57/65/22/544576522.db2.gz REHJUUGLBSKOJM-UHFFFAOYSA-N 2 2 277.332 0.490 20 0 CCADLP COc1cc(C[N@H+](C)C[C@@H]2C[NH2+]CCO2)ccc1O ZINC000125521360 544592159 /nfs/dbraw/zinc/59/21/59/544592159.db2.gz YWKIKILPFNVELD-LBPRGKRZSA-N 2 2 266.341 0.821 20 0 CCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H](C)[NH2+]C2CC2)CC1 ZINC000449142112 533683468 /nfs/dbraw/zinc/68/34/68/533683468.db2.gz NJNDYROXBUHGBB-NWDGAFQWSA-N 2 2 297.399 0.223 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC000420365734 287631258 /nfs/dbraw/zinc/63/12/58/287631258.db2.gz LKUFVIHFIZLWGI-DYEKYZERSA-N 2 2 253.390 0.975 20 0 CCADLP C[C@H]1[NH2+]CCC[C@H]1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000333817969 545043532 /nfs/dbraw/zinc/04/35/32/545043532.db2.gz QRSKCUINTSNZST-CHWSQXEVSA-N 2 2 298.431 0.537 20 0 CCADLP C[C@H]1[NH2+]CCC[C@H]1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000333817969 545043534 /nfs/dbraw/zinc/04/35/34/545043534.db2.gz QRSKCUINTSNZST-CHWSQXEVSA-N 2 2 298.431 0.537 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](C2CC2)C2CCC2)CC1 ZINC000324651143 545016723 /nfs/dbraw/zinc/01/67/23/545016723.db2.gz CFUDJVNUTACFAN-HNNXBMFYSA-N 2 2 265.401 0.929 20 0 CCADLP CC(C)[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000324039600 545016996 /nfs/dbraw/zinc/01/69/96/545016996.db2.gz WCARJEAPWQBOLX-CQSZACIVSA-N 2 2 253.390 0.785 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN2C[C@H](C)[N@H+](C)C[C@@H]2C)C[C@@H](C)O1 ZINC000351943737 545068979 /nfs/dbraw/zinc/06/89/79/545068979.db2.gz HYYKJJAHVQJTGN-RBZJEDDUSA-N 2 2 299.459 0.481 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN2C[C@H](C)[N@@H+](C)C[C@@H]2C)C[C@@H](C)O1 ZINC000351943737 545068981 /nfs/dbraw/zinc/06/89/81/545068981.db2.gz HYYKJJAHVQJTGN-RBZJEDDUSA-N 2 2 299.459 0.481 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)CN2C[C@H](C)[NH+](C)C[C@@H]2C)C[C@H](C)O1 ZINC000351943735 545069118 /nfs/dbraw/zinc/06/91/18/545069118.db2.gz HYYKJJAHVQJTGN-GVRJEKJASA-N 2 2 299.459 0.481 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)CN2C[C@H](C)[NH+](C)C[C@@H]2C)C[C@H](C)O1 ZINC000351943735 545069120 /nfs/dbraw/zinc/06/91/20/545069120.db2.gz HYYKJJAHVQJTGN-GVRJEKJASA-N 2 2 299.459 0.481 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN2C[C@H](C)[N@H+](C)C[C@@H]2C)C[C@H](C)O1 ZINC000351943735 545069122 /nfs/dbraw/zinc/06/91/22/545069122.db2.gz HYYKJJAHVQJTGN-GVRJEKJASA-N 2 2 299.459 0.481 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN2C[C@H](C)[N@@H+](C)C[C@@H]2C)C[C@H](C)O1 ZINC000351943735 545069123 /nfs/dbraw/zinc/06/91/23/545069123.db2.gz HYYKJJAHVQJTGN-GVRJEKJASA-N 2 2 299.459 0.481 20 0 CCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000423784769 533684559 /nfs/dbraw/zinc/68/45/59/533684559.db2.gz MURBFVZKUOJWSW-STQMWFEESA-N 2 2 297.399 0.224 20 0 CCADLP Cn1c[nH+]c2cc(NC[C@H](O)C[NH+]3CCOCC3)ccc21 ZINC000521030816 262193877 /nfs/dbraw/zinc/19/38/77/262193877.db2.gz CAWJKSRQYYTANZ-ZDUSSCGKSA-N 2 2 290.367 0.678 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCC2(O)CCC2)C[C@@H](C)O1 ZINC000521032248 262221448 /nfs/dbraw/zinc/22/14/48/262221448.db2.gz AFPQYYWCPRSYGD-MCIONIFRSA-N 2 2 286.416 0.351 20 0 CCADLP NC(=O)CC[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390856143 262354690 /nfs/dbraw/zinc/35/46/90/262354690.db2.gz KROGTWMACVSAJA-HNNXBMFYSA-N 2 2 291.395 0.743 20 0 CCADLP NC(=O)CC[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390856143 262354692 /nfs/dbraw/zinc/35/46/92/262354692.db2.gz KROGTWMACVSAJA-HNNXBMFYSA-N 2 2 291.395 0.743 20 0 CCADLP [NH3+]C1(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000353471392 263082211 /nfs/dbraw/zinc/08/22/11/263082211.db2.gz MMASDNHCSZCJSJ-UHFFFAOYSA-N 2 2 256.309 0.980 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)CN2CC[NH+](C)[C@H](C)[C@H]2C)C[C@H](C)O1 ZINC000356996778 545078323 /nfs/dbraw/zinc/07/83/23/545078323.db2.gz HXKXFMAOXSNFHQ-JKJDWNRSSA-N 2 2 299.459 0.481 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)CN2CC[NH+](C)[C@H](C)[C@H]2C)C[C@H](C)O1 ZINC000356996778 545078325 /nfs/dbraw/zinc/07/83/25/545078325.db2.gz HXKXFMAOXSNFHQ-JKJDWNRSSA-N 2 2 299.459 0.481 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN2CC[N@H+](C)[C@H](C)[C@H]2C)C[C@H](C)O1 ZINC000356996778 545078326 /nfs/dbraw/zinc/07/83/26/545078326.db2.gz HXKXFMAOXSNFHQ-JKJDWNRSSA-N 2 2 299.459 0.481 20 0 CCADLP C[C@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000262433050 289914080 /nfs/dbraw/zinc/91/40/80/289914080.db2.gz RVNUCZDXBCXAGM-XUXIUFHCSA-N 2 2 283.416 0.600 20 0 CCADLP CS[C@@H](CO)[C@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000228308681 274179323 /nfs/dbraw/zinc/17/93/23/274179323.db2.gz PTSOSLDAJBFYMT-ONGXEEELSA-N 2 2 272.418 0.688 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCn2c[nH+]cc2C1 ZINC000333844441 274307369 /nfs/dbraw/zinc/30/73/69/274307369.db2.gz OXQPGAIMKUENPJ-ZYHUDNBSSA-N 2 2 263.345 0.406 20 0 CCADLP Cn1ncc2c1nc[nH+]c2N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000278672716 274903120 /nfs/dbraw/zinc/90/31/20/274903120.db2.gz KGUUAYOLBBINFA-UHFFFAOYSA-N 2 2 284.327 0.413 20 0 CCADLP CC1(C)CCC[NH2+][C@@H]1CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000336599506 276106672 /nfs/dbraw/zinc/10/66/72/276106672.db2.gz CPEVHNCYDPVQRL-NXEZZACHSA-N 2 2 275.343 0.878 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000356479457 276206457 /nfs/dbraw/zinc/20/64/57/276206457.db2.gz YZTQNXNFQGVQLJ-VXGBXAGGSA-N 2 2 278.356 0.035 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000356479457 276206459 /nfs/dbraw/zinc/20/64/59/276206459.db2.gz YZTQNXNFQGVQLJ-VXGBXAGGSA-N 2 2 278.356 0.035 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC2(COC)CC[NH2+]CC2)C1 ZINC000423405459 276243485 /nfs/dbraw/zinc/24/34/85/276243485.db2.gz JHHFGNRRCGOJTJ-ZIAGYGMSSA-N 3 2 269.433 0.932 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC2(COC)CC[NH2+]CC2)C1 ZINC000423405459 276243486 /nfs/dbraw/zinc/24/34/86/276243486.db2.gz JHHFGNRRCGOJTJ-ZIAGYGMSSA-N 3 2 269.433 0.932 20 0 CCADLP CC[N@@H+]1CC[C@@H]2OCCN(Cc3c[nH+]cn3C)[C@H]2C1 ZINC000339387949 276397505 /nfs/dbraw/zinc/39/75/05/276397505.db2.gz RVDWFZLBAHUTKV-KBPBESRZSA-N 2 2 264.373 0.715 20 0 CCADLP CC[N@H+]1CC[C@@H]2OCCN(Cc3c[nH+]cn3C)[C@H]2C1 ZINC000339387949 276397506 /nfs/dbraw/zinc/39/75/06/276397506.db2.gz RVDWFZLBAHUTKV-KBPBESRZSA-N 2 2 264.373 0.715 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718913 277004834 /nfs/dbraw/zinc/00/48/34/277004834.db2.gz MRORYFFQVIOGDY-QWHCGFSZSA-N 2 2 296.415 0.638 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718913 277004835 /nfs/dbraw/zinc/00/48/35/277004835.db2.gz MRORYFFQVIOGDY-QWHCGFSZSA-N 2 2 296.415 0.638 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cnccn3)C2)CC1 ZINC000369272584 277028019 /nfs/dbraw/zinc/02/80/19/277028019.db2.gz CFLINTWOTCEPQX-GFCCVEGCSA-N 2 2 289.383 0.375 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cnccn3)C2)CC1 ZINC000369272584 277028020 /nfs/dbraw/zinc/02/80/20/277028020.db2.gz CFLINTWOTCEPQX-GFCCVEGCSA-N 2 2 289.383 0.375 20 0 CCADLP COC(=O)COC[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000449194017 277064074 /nfs/dbraw/zinc/06/40/74/277064074.db2.gz WSCYSHWYAMLRCL-SDDRHHMPSA-N 2 2 270.373 0.779 20 0 CCADLP COC(=O)COC[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000449194017 277064076 /nfs/dbraw/zinc/06/40/76/277064076.db2.gz WSCYSHWYAMLRCL-SDDRHHMPSA-N 2 2 270.373 0.779 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000334298509 277094229 /nfs/dbraw/zinc/09/42/29/277094229.db2.gz OCWIYRRTBSJNEJ-GFCCVEGCSA-N 2 2 276.384 0.998 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000334298509 277094230 /nfs/dbraw/zinc/09/42/30/277094230.db2.gz OCWIYRRTBSJNEJ-GFCCVEGCSA-N 2 2 276.384 0.998 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1)C(C)C ZINC000070174776 277099163 /nfs/dbraw/zinc/09/91/63/277099163.db2.gz RAQLNMOMGHNETH-OSAQELSMSA-N 2 2 283.416 0.775 20 0 CCADLP CC(=O)[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1)C(C)C ZINC000070174776 277099165 /nfs/dbraw/zinc/09/91/65/277099165.db2.gz RAQLNMOMGHNETH-OSAQELSMSA-N 2 2 283.416 0.775 20 0 CCADLP COC(=O)[C@H](C)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355035759 277117667 /nfs/dbraw/zinc/11/76/67/277117667.db2.gz VDEHMHSLLZWWAI-STQMWFEESA-N 2 2 283.416 0.648 20 0 CCADLP COC(=O)[C@H](C)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355035759 277117668 /nfs/dbraw/zinc/11/76/68/277117668.db2.gz VDEHMHSLLZWWAI-STQMWFEESA-N 2 2 283.416 0.648 20 0 CCADLP COCC[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C1 ZINC000423259066 277227113 /nfs/dbraw/zinc/22/71/13/277227113.db2.gz NGUNRMDQZZRQHO-KGLIPLIRSA-N 3 2 255.406 0.686 20 0 CCADLP COCC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C1 ZINC000423259066 277227114 /nfs/dbraw/zinc/22/71/14/277227114.db2.gz NGUNRMDQZZRQHO-KGLIPLIRSA-N 3 2 255.406 0.686 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CC[NH2+]CC2(F)F)C[C@@H](C)[NH2+]1 ZINC000342756128 287999188 /nfs/dbraw/zinc/99/91/88/287999188.db2.gz USVRDJAQPULOPO-OPRDCNLKSA-N 2 2 261.316 0.440 20 0 CCADLP C[C@H](C[NH3+])CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000423443372 278181599 /nfs/dbraw/zinc/18/15/99/278181599.db2.gz AILYOLXWHBCXBN-DGCLKSJQSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H](C[NH3+])CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000423443372 278181601 /nfs/dbraw/zinc/18/16/01/278181601.db2.gz AILYOLXWHBCXBN-DGCLKSJQSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000246221341 278193904 /nfs/dbraw/zinc/19/39/04/278193904.db2.gz ZMCDOYIWDVNREN-HUUCEWRRSA-N 2 2 267.417 0.877 20 0 CCADLP C[C@H](NC(=O)NC(C)(C)CC[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000422600969 278242816 /nfs/dbraw/zinc/24/28/16/278242816.db2.gz WBOSYCHZOSKCNX-RYUDHWBXSA-N 2 2 286.420 0.522 20 0 CCADLP C[C@H]1CCSCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000335938000 278376523 /nfs/dbraw/zinc/37/65/23/278376523.db2.gz YZWPUBBSKHDKAX-LBPRGKRZSA-N 2 2 271.430 0.588 20 0 CCADLP C[C@H]1CCSCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000335938000 278376524 /nfs/dbraw/zinc/37/65/24/278376524.db2.gz YZWPUBBSKHDKAX-LBPRGKRZSA-N 2 2 271.430 0.588 20 0 CCADLP C[C@@H](O)C[N@H+](C)C1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000340862659 278392997 /nfs/dbraw/zinc/39/29/97/278392997.db2.gz AKMGRNAIJCDCRH-OCCSQVGLSA-N 2 2 283.416 0.432 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000340862659 278393000 /nfs/dbraw/zinc/39/30/00/278393000.db2.gz AKMGRNAIJCDCRH-OCCSQVGLSA-N 2 2 283.416 0.432 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@@H]1CCCC[NH+]1CCO ZINC000453259288 288079617 /nfs/dbraw/zinc/07/96/17/288079617.db2.gz ICYAXKSFOATNHC-QLFBSQMISA-N 2 2 269.433 0.763 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@H]1CCCC[NH+]1CCO ZINC000453259288 288079619 /nfs/dbraw/zinc/07/96/19/288079619.db2.gz ICYAXKSFOATNHC-QLFBSQMISA-N 2 2 269.433 0.763 20 0 CCADLP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@@H]1CCCC[N@@H+]1CCO ZINC000453259288 288079621 /nfs/dbraw/zinc/07/96/21/288079621.db2.gz ICYAXKSFOATNHC-QLFBSQMISA-N 2 2 269.433 0.763 20 0 CCADLP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@@H]1CCCC[N@H+]1CCO ZINC000453259288 288079625 /nfs/dbraw/zinc/07/96/25/288079625.db2.gz ICYAXKSFOATNHC-QLFBSQMISA-N 2 2 269.433 0.763 20 0 CCADLP CC(C)C[C@@H]([NH3+])CN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000414677324 278995603 /nfs/dbraw/zinc/99/56/03/278995603.db2.gz IXWKKFMHSGXUSZ-OAHLLOKOSA-N 2 2 296.459 0.600 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000487457997 288096782 /nfs/dbraw/zinc/09/67/82/288096782.db2.gz ATFMESGJNKQULV-GRYCIOLGSA-N 2 2 262.357 0.512 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000487457997 288096783 /nfs/dbraw/zinc/09/67/83/288096783.db2.gz ATFMESGJNKQULV-GRYCIOLGSA-N 2 2 262.357 0.512 20 0 CCADLP CC(C)C[C@@H]1C(=O)NCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261967034 279011926 /nfs/dbraw/zinc/01/19/26/279011926.db2.gz HVEKRVXHHZMFCI-TZMCWYRMSA-N 2 2 253.390 0.833 20 0 CCADLP CC(C)C[C@@H]1C(=O)NCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000261967034 279011928 /nfs/dbraw/zinc/01/19/28/279011928.db2.gz HVEKRVXHHZMFCI-TZMCWYRMSA-N 2 2 253.390 0.833 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000192095963 279410774 /nfs/dbraw/zinc/41/07/74/279410774.db2.gz XXPKDJVYDJSHQO-UWVGGRQHSA-N 2 2 250.346 0.747 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000417003224 279736707 /nfs/dbraw/zinc/73/67/07/279736707.db2.gz BHCAACWPCKYVIZ-WCQYABFASA-N 2 2 291.399 0.945 20 0 CCADLP CC[C@H]1C(=O)N(CC)CC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261821262 288174705 /nfs/dbraw/zinc/17/47/05/288174705.db2.gz IJRDPSFRTSKARG-STQMWFEESA-N 2 2 253.390 0.929 20 0 CCADLP CC[C@H]1C(=O)N(CC)CC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261821262 288174707 /nfs/dbraw/zinc/17/47/07/288174707.db2.gz IJRDPSFRTSKARG-STQMWFEESA-N 2 2 253.390 0.929 20 0 CCADLP CC(C)[C@@H]1C[NH+](C)CCN1CC[N@H+]1CCO[C@@H](C)C1 ZINC000425487274 280012991 /nfs/dbraw/zinc/01/29/91/280012991.db2.gz VURPFBOHIDSEBC-GJZGRUSLSA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@@H]1C[N@H+](C)CCN1CC[NH+]1CCO[C@@H](C)C1 ZINC000425487274 280012982 /nfs/dbraw/zinc/01/29/82/280012982.db2.gz VURPFBOHIDSEBC-GJZGRUSLSA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1CC[NH+]1CCO[C@@H](C)C1 ZINC000425487274 280012986 /nfs/dbraw/zinc/01/29/86/280012986.db2.gz VURPFBOHIDSEBC-GJZGRUSLSA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@@H]1C[NH+](C)CCN1CC[N@@H+]1CCO[C@@H](C)C1 ZINC000425487274 280012988 /nfs/dbraw/zinc/01/29/88/280012988.db2.gz VURPFBOHIDSEBC-GJZGRUSLSA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@@H]1C[N@H+](C)CCN1CC[NH+]1CCO[C@H](C)C1 ZINC000425487272 280013106 /nfs/dbraw/zinc/01/31/06/280013106.db2.gz VURPFBOHIDSEBC-CABCVRRESA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1CC[NH+]1CCO[C@H](C)C1 ZINC000425487272 280013108 /nfs/dbraw/zinc/01/31/08/280013108.db2.gz VURPFBOHIDSEBC-CABCVRRESA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@@H]1C[NH+](C)CCN1CC[N@@H+]1CCO[C@H](C)C1 ZINC000425487272 280013110 /nfs/dbraw/zinc/01/31/10/280013110.db2.gz VURPFBOHIDSEBC-CABCVRRESA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@@H]1C[NH+](C)CCN1CC[N@H+]1CCO[C@H](C)C1 ZINC000425487272 280013113 /nfs/dbraw/zinc/01/31/13/280013113.db2.gz VURPFBOHIDSEBC-CABCVRRESA-N 2 2 269.433 0.979 20 0 CCADLP C[C@H]1[N@H+](C[C@H](O)C[NH+](C)C2CC2)CCOC1(C)C ZINC000336788939 280038625 /nfs/dbraw/zinc/03/86/25/280038625.db2.gz HXWGYBIVCUOEEL-DGCLKSJQSA-N 2 2 256.390 0.941 20 0 CCADLP C[C@H]1[N@@H+](C[C@H](O)C[NH+](C)C2CC2)CCOC1(C)C ZINC000336788939 280038626 /nfs/dbraw/zinc/03/86/26/280038626.db2.gz HXWGYBIVCUOEEL-DGCLKSJQSA-N 2 2 256.390 0.941 20 0 CCADLP C[C@H]1[NH+](C[C@H](O)C[N@H+](C)C2CC2)CCOC1(C)C ZINC000336788939 280038627 /nfs/dbraw/zinc/03/86/27/280038627.db2.gz HXWGYBIVCUOEEL-DGCLKSJQSA-N 2 2 256.390 0.941 20 0 CCADLP C[C@H]1[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CCOC1(C)C ZINC000336788939 280038628 /nfs/dbraw/zinc/03/86/28/280038628.db2.gz HXWGYBIVCUOEEL-DGCLKSJQSA-N 2 2 256.390 0.941 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000353452788 280069475 /nfs/dbraw/zinc/06/94/75/280069475.db2.gz QYXNZFYQYIPKRW-RDBSUJKOSA-N 2 2 283.416 0.457 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000353452788 280069478 /nfs/dbraw/zinc/06/94/78/280069478.db2.gz QYXNZFYQYIPKRW-RDBSUJKOSA-N 2 2 283.416 0.457 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000353815565 280069847 /nfs/dbraw/zinc/06/98/47/280069847.db2.gz NLRNYHLFHWMWED-AGIUHOORSA-N 2 2 269.389 0.067 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000353815565 280069849 /nfs/dbraw/zinc/06/98/49/280069849.db2.gz NLRNYHLFHWMWED-AGIUHOORSA-N 2 2 269.389 0.067 20 0 CCADLP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)C1(C(=O)OC)CCC1 ZINC000423580222 280189229 /nfs/dbraw/zinc/18/92/29/280189229.db2.gz XKUBCTFUIMXWRD-NWDGAFQWSA-N 2 2 270.373 0.686 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CC(C)C2)CC[N@@H+]1CCOC ZINC000514738305 280365155 /nfs/dbraw/zinc/36/51/55/280365155.db2.gz OIWFFPMGHSHRFY-HUUCEWRRSA-N 2 2 297.443 0.896 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CC(C)C2)CC[N@H+]1CCOC ZINC000514738305 280365160 /nfs/dbraw/zinc/36/51/60/280365160.db2.gz OIWFFPMGHSHRFY-HUUCEWRRSA-N 2 2 297.443 0.896 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@@H]2CSC[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000423873118 280371036 /nfs/dbraw/zinc/37/10/36/280371036.db2.gz LAUCXLFKPPVJKO-FRRDWIJNSA-N 2 2 299.440 0.218 20 0 CCADLP Cc1cc(C[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)n(C)n1 ZINC000417896160 280491981 /nfs/dbraw/zinc/49/19/81/280491981.db2.gz HFGXTVBEAMJVBU-HNNXBMFYSA-N 2 2 280.416 0.911 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCN(C)CC[NH+]1CCOC(C)(C)C1 ZINC000337219291 288342182 /nfs/dbraw/zinc/34/21/82/288342182.db2.gz BJNLVDLQIIGTJX-OAHLLOKOSA-N 2 2 299.459 0.750 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCN(C)CC[NH+]1CCOC(C)(C)C1 ZINC000337219291 288342185 /nfs/dbraw/zinc/34/21/85/288342185.db2.gz BJNLVDLQIIGTJX-OAHLLOKOSA-N 2 2 299.459 0.750 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000337219291 288342187 /nfs/dbraw/zinc/34/21/87/288342187.db2.gz BJNLVDLQIIGTJX-OAHLLOKOSA-N 2 2 299.459 0.750 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000337219291 288342188 /nfs/dbraw/zinc/34/21/88/288342188.db2.gz BJNLVDLQIIGTJX-OAHLLOKOSA-N 2 2 299.459 0.750 20 0 CCADLP Cc1nc(N[C@H]2CCC[C@@H]2[NH+](C)C)nc(N(C)C)[nH+]1 ZINC000439658301 281914441 /nfs/dbraw/zinc/91/44/41/281914441.db2.gz MLVLVBRHLLYATG-QWRGUYRKSA-N 2 2 264.377 0.563 20 0 CCADLP C[NH+](C)C/C=C\C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000492092027 282022767 /nfs/dbraw/zinc/02/27/67/282022767.db2.gz SWDWGEBKHLBXKD-WAYWQWQTSA-N 3 2 282.432 0.246 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000370603259 282058869 /nfs/dbraw/zinc/05/88/69/282058869.db2.gz JOTVUJGSPPSOSA-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP C[NH+](C)C[C@H]1CCCCN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188926996 289209622 /nfs/dbraw/zinc/20/96/22/289209622.db2.gz QMVABSURYOCTCQ-LLVKDONJSA-N 2 2 291.399 0.612 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000334364322 289245239 /nfs/dbraw/zinc/24/52/39/289245239.db2.gz GHICKYSKELSUEF-OCCSQVGLSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000334364322 289245240 /nfs/dbraw/zinc/24/52/40/289245240.db2.gz GHICKYSKELSUEF-OCCSQVGLSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@H](C(=O)N(C)C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000334364322 289245241 /nfs/dbraw/zinc/24/52/41/289245241.db2.gz GHICKYSKELSUEF-OCCSQVGLSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@H](C(=O)N(C)C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000334364322 289245242 /nfs/dbraw/zinc/24/52/42/289245242.db2.gz GHICKYSKELSUEF-OCCSQVGLSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@H](C(=O)NCC[N@@H+]1CCOCC1(C)C)C1C[NH2+]C1 ZINC000262389752 289353477 /nfs/dbraw/zinc/35/34/77/289353477.db2.gz OBPIHVGICCISOU-NSHDSACASA-N 2 2 269.389 0.069 20 0 CCADLP C[C@H](C(=O)NCC[N@H+]1CCOCC1(C)C)C1C[NH2+]C1 ZINC000262389752 289353478 /nfs/dbraw/zinc/35/34/78/289353478.db2.gz OBPIHVGICCISOU-NSHDSACASA-N 2 2 269.389 0.069 20 0 CCADLP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)NC(C)(C)C)C2)C1 ZINC000336125647 290187335 /nfs/dbraw/zinc/18/73/35/290187335.db2.gz MDIQVKIHTFSHHV-CQSZACIVSA-N 2 2 253.390 0.929 20 0 CCADLP CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)[C@H]1CCOC1 ZINC000386326381 336171011 /nfs/dbraw/zinc/17/10/11/336171011.db2.gz JIIGVQFWYPCBCQ-STQMWFEESA-N 2 2 260.378 0.036 20 0 CCADLP CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)[C@H]1CCOC1 ZINC000386326381 336171012 /nfs/dbraw/zinc/17/10/12/336171012.db2.gz JIIGVQFWYPCBCQ-STQMWFEESA-N 2 2 260.378 0.036 20 0 CCADLP CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)[C@H]1CCOC1 ZINC000386326381 336171014 /nfs/dbraw/zinc/17/10/14/336171014.db2.gz JIIGVQFWYPCBCQ-STQMWFEESA-N 2 2 260.378 0.036 20 0 CCADLP CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)[C@H]1CCOC1 ZINC000386326381 336171015 /nfs/dbraw/zinc/17/10/15/336171015.db2.gz JIIGVQFWYPCBCQ-STQMWFEESA-N 2 2 260.378 0.036 20 0 CCADLP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000422851315 295255194 /nfs/dbraw/zinc/25/51/94/295255194.db2.gz FFWZBDXFFONNIE-KKUMJFAQSA-N 2 2 295.427 0.731 20 0 CCADLP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000422851315 295255196 /nfs/dbraw/zinc/25/51/96/295255196.db2.gz FFWZBDXFFONNIE-KKUMJFAQSA-N 2 2 295.427 0.731 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)[NH+]1CCOCC1 ZINC000237447446 298754583 /nfs/dbraw/zinc/75/45/83/298754583.db2.gz FSUHGHVJZZCDRI-QPSCCSFWSA-N 2 2 295.427 0.744 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]([NH3+])C(C)(C)C)C[C@H]1[NH+]1CCOCC1 ZINC000178861343 300160812 /nfs/dbraw/zinc/16/08/12/300160812.db2.gz HDTAVPOLTNRSDU-YNEHKIRRSA-N 2 2 283.416 0.539 20 0 CCADLP NC(=O)[C@H](c1ccccc1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352494851 303324020 /nfs/dbraw/zinc/32/40/20/303324020.db2.gz GEVGIVQLKIHCCA-CABCVRRESA-N 2 2 288.395 0.193 20 0 CCADLP [NH3+]CCNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000416884436 303382274 /nfs/dbraw/zinc/38/22/74/303382274.db2.gz DFMURIDAZGCKNP-CQSZACIVSA-N 2 2 292.383 0.318 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+]C[C@H](C)[NH+](C)C)no1 ZINC000580315741 327782774 /nfs/dbraw/zinc/78/27/74/327782774.db2.gz JMIQCXNRYWNQIX-VIFPVBQESA-N 2 2 254.334 0.273 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3ccc(F)cc3)CCN2C1=O ZINC000575763718 328123740 /nfs/dbraw/zinc/12/37/40/328123740.db2.gz YRTRDDZDLKNXMY-STQMWFEESA-N 2 2 263.316 0.570 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3ccc(F)cc3)CCN2C1=O ZINC000575763718 328123742 /nfs/dbraw/zinc/12/37/42/328123742.db2.gz YRTRDDZDLKNXMY-STQMWFEESA-N 2 2 263.316 0.570 20 0 CCADLP Cn1ncc2c1nc(NC[C@@H]1CCC[C@@H]([NH3+])C1)[nH+]c2N ZINC000584163413 327054085 /nfs/dbraw/zinc/05/40/85/327054085.db2.gz ZXDXTLDDQSMPTN-RKDXNWHRSA-N 2 2 275.360 0.297 20 0 CCADLP O[C@@H]1CCCC[C@H]1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000578637807 327347937 /nfs/dbraw/zinc/34/79/37/327347937.db2.gz LCJKLNMOOBDRAP-YJNKXOJESA-N 2 2 268.401 0.894 20 0 CCADLP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)O1 ZINC000574752995 327372207 /nfs/dbraw/zinc/37/22/07/327372207.db2.gz AFNHKYNZIDSPDA-UTUOFQBUSA-N 2 2 278.356 0.970 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@H](C)C[NH3+])CC2)cc[nH+]1 ZINC000575121820 327504846 /nfs/dbraw/zinc/50/48/46/327504846.db2.gz ILHLUENSYNTZSE-SNVBAGLBSA-N 2 2 263.345 0.028 20 0 CCADLP Cc1nc(N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc[nH+]1 ZINC000582596979 329113638 /nfs/dbraw/zinc/11/36/38/329113638.db2.gz OYYLBDUSHNEIQG-ZDUSSCGKSA-N 2 2 289.383 0.433 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000582905717 329284085 /nfs/dbraw/zinc/28/40/85/329284085.db2.gz BOGGRHXYPLBVIF-LLVKDONJSA-N 2 2 260.403 0.353 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000582905717 329284086 /nfs/dbraw/zinc/28/40/86/329284086.db2.gz BOGGRHXYPLBVIF-LLVKDONJSA-N 2 2 260.403 0.353 20 0 CCADLP C[C@@H](C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)[NH+]1CC(C)C1 ZINC000583151640 329323118 /nfs/dbraw/zinc/32/31/18/329323118.db2.gz GXXYVTOSNVCXAF-QWRGUYRKSA-N 2 2 262.357 0.723 20 0 CCADLP COC[C@H]([NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000543455105 330375162 /nfs/dbraw/zinc/37/51/62/330375162.db2.gz SUPCDOUVBOQCGG-XGUBFFRZSA-N 2 2 288.432 0.717 20 0 CCADLP COC[C@H]([NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000543455105 330375163 /nfs/dbraw/zinc/37/51/63/330375163.db2.gz SUPCDOUVBOQCGG-XGUBFFRZSA-N 2 2 288.432 0.717 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@@H](CO)Cc1ccc(F)cc1)C1CC1 ZINC000575869050 335126391 /nfs/dbraw/zinc/12/63/91/335126391.db2.gz VXKOOOXCAYZRII-GDBMZVCRSA-N 2 2 296.386 0.774 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H](CO)Cc1ccc(F)cc1)C1CC1 ZINC000575869050 335126392 /nfs/dbraw/zinc/12/63/92/335126392.db2.gz VXKOOOXCAYZRII-GDBMZVCRSA-N 2 2 296.386 0.774 20 0 CCADLP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000575900193 335129374 /nfs/dbraw/zinc/12/93/74/335129374.db2.gz NKKCFRDOLRNWTR-CHWSQXEVSA-N 3 2 285.436 0.001 20 0 CCADLP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000575900193 335129375 /nfs/dbraw/zinc/12/93/75/335129375.db2.gz NKKCFRDOLRNWTR-CHWSQXEVSA-N 3 2 285.436 0.001 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000565421398 334562012 /nfs/dbraw/zinc/56/20/12/334562012.db2.gz XHARDRBDPOULMO-QJPTWQEYSA-N 2 2 272.393 0.132 20 0 CCADLP [NH3+]CC(F)(F)CC(=O)NCCCCn1cc[nH+]c1 ZINC000565724454 334591804 /nfs/dbraw/zinc/59/18/04/334591804.db2.gz VNYNBUHGEDYSQW-UHFFFAOYSA-N 2 2 260.288 0.764 20 0 CCADLP [NH3+]C[C@H]1CN(Cc2[nH+]ccn2CC(F)(F)F)CCCO1 ZINC000573210097 334917916 /nfs/dbraw/zinc/91/79/16/334917916.db2.gz BJFUSBXZGGFXEQ-JTQLQIEISA-N 2 2 292.305 0.995 20 0 CCADLP CCOC(=O)CCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000573277198 334923906 /nfs/dbraw/zinc/92/39/06/334923906.db2.gz HNNSUBAVBUQRQX-UHFFFAOYSA-N 2 2 266.345 0.875 20 0 CCADLP CC1(C)C[NH+](CC(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000576886284 335260793 /nfs/dbraw/zinc/26/07/93/335260793.db2.gz PGLZAZDRIOLLJZ-UHFFFAOYSA-N 2 2 291.399 0.396 20 0 CCADLP O=C(C[C@H]1CSCC[NH2+]1)Nc1cc[nH+]cc1O ZINC000580548063 335276147 /nfs/dbraw/zinc/27/61/47/335276147.db2.gz BUROFSOQMYVFME-QMMMGPOBSA-N 2 2 253.327 0.243 20 0 CCADLP O[C@@H](C[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)Cn1cccn1 ZINC000577098729 335299485 /nfs/dbraw/zinc/29/94/85/335299485.db2.gz GPYPOBUNKCXKMJ-GJZGRUSLSA-N 2 2 278.400 0.851 20 0 CCADLP O[C@@H](C[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)Cn1cccn1 ZINC000577098729 335299486 /nfs/dbraw/zinc/29/94/86/335299486.db2.gz GPYPOBUNKCXKMJ-GJZGRUSLSA-N 2 2 278.400 0.851 20 0 CCADLP C[NH+](C)[C@H]1CN(Cc2cn3ccccc3[nH+]2)C[C@@H]1O ZINC000580657663 335314235 /nfs/dbraw/zinc/31/42/35/335314235.db2.gz UYOJAWREBNJWMU-STQMWFEESA-N 2 2 260.341 0.441 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000577365582 335341555 /nfs/dbraw/zinc/34/15/55/335341555.db2.gz VSMZPHSWUUPVOL-OAHLLOKOSA-N 3 2 267.417 0.658 20 0 CCADLP CCCC[N@H+](C)C[C@@H](C)NC[C@H](O)C[NH+]1CCOCC1 ZINC000577365806 335342786 /nfs/dbraw/zinc/34/27/86/335342786.db2.gz PBPDBRLILUHELD-CABCVRRESA-N 2 2 287.448 0.390 20 0 CCADLP CCCC[N@@H+](C)C[C@@H](C)NC[C@H](O)C[NH+]1CCOCC1 ZINC000577365806 335342787 /nfs/dbraw/zinc/34/27/87/335342787.db2.gz PBPDBRLILUHELD-CABCVRRESA-N 2 2 287.448 0.390 20 0 CCADLP [NH3+][C@@H](C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1c(F)cccc1F ZINC000577367438 335343202 /nfs/dbraw/zinc/34/32/02/335343202.db2.gz GGMZEYJCZBFXRI-VYUIOLGVSA-N 2 2 281.306 0.642 20 0 CCADLP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000577390211 335347136 /nfs/dbraw/zinc/34/71/36/335347136.db2.gz LJLIVUGGQSAHTQ-GRYCIOLGSA-N 2 2 278.356 0.493 20 0 CCADLP O=C1c2ccccc2C(=O)N1CC[NH2+]CC[NH+]1CCCC1 ZINC000577542556 335366522 /nfs/dbraw/zinc/36/65/22/335366522.db2.gz KLJJDYNTACLJEZ-UHFFFAOYSA-N 2 2 287.363 0.968 20 0 CCADLP COC[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000347373441 335376787 /nfs/dbraw/zinc/37/67/87/335376787.db2.gz QVNCUVQJLVIXEA-OLZOCXBDSA-N 2 2 271.405 0.554 20 0 CCADLP COC[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000347373441 335376788 /nfs/dbraw/zinc/37/67/88/335376788.db2.gz QVNCUVQJLVIXEA-OLZOCXBDSA-N 2 2 271.405 0.554 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)C(F)(F)F ZINC000577622160 335380315 /nfs/dbraw/zinc/38/03/15/335380315.db2.gz XJFZEDMKKZVHBJ-UWVGGRQHSA-N 2 2 270.295 0.610 20 0 CCADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)C(F)(F)F ZINC000577622160 335380317 /nfs/dbraw/zinc/38/03/17/335380317.db2.gz XJFZEDMKKZVHBJ-UWVGGRQHSA-N 2 2 270.295 0.610 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000577999122 335452984 /nfs/dbraw/zinc/45/29/84/335452984.db2.gz VQLHOERKAQVTDI-ZDUSSCGKSA-N 2 2 286.420 0.394 20 0 CCADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000578068254 335477373 /nfs/dbraw/zinc/47/73/73/335477373.db2.gz VSJQZSYQAWHUKS-AEJSXWLSSA-N 2 2 259.300 0.052 20 0 CCADLP C[C@@](O)(C[NH2+]C[C@H](O)C[NH+]1CCCCC1)C(F)(F)F ZINC000580774584 335964729 /nfs/dbraw/zinc/96/47/29/335964729.db2.gz VXKIOUWMQUAVIM-WDEREUQCSA-N 2 2 284.322 0.736 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])[C@@H]([NH3+])c1ccccc1 ZINC000581061678 336002138 /nfs/dbraw/zinc/00/21/38/336002138.db2.gz PZLSLCJBNUWAHX-NWANDNLSSA-N 3 2 290.411 0.424 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])[C@@H]([NH3+])c1ccccc1 ZINC000581061678 336002140 /nfs/dbraw/zinc/00/21/40/336002140.db2.gz PZLSLCJBNUWAHX-NWANDNLSSA-N 3 2 290.411 0.424 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1C[C@H](C)O ZINC000380604222 336003869 /nfs/dbraw/zinc/00/38/69/336003869.db2.gz CPEIPJYGNCNEBQ-ZNMIVQPWSA-N 2 2 288.432 0.551 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1C[C@H](C)O ZINC000380604222 336003870 /nfs/dbraw/zinc/00/38/70/336003870.db2.gz CPEIPJYGNCNEBQ-ZNMIVQPWSA-N 2 2 288.432 0.551 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1C[C@H](C)O ZINC000380604222 336003871 /nfs/dbraw/zinc/00/38/71/336003871.db2.gz CPEIPJYGNCNEBQ-ZNMIVQPWSA-N 2 2 288.432 0.551 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1C[C@H](C)O ZINC000380604222 336003872 /nfs/dbraw/zinc/00/38/72/336003872.db2.gz CPEIPJYGNCNEBQ-ZNMIVQPWSA-N 2 2 288.432 0.551 20 0 CCADLP Cc1nnsc1C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000384269492 336123057 /nfs/dbraw/zinc/12/30/57/336123057.db2.gz RCPUFLGTQRNPCU-SNVBAGLBSA-N 2 2 256.375 0.391 20 0 CCADLP Cc1nnsc1C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000384269492 336123059 /nfs/dbraw/zinc/12/30/59/336123059.db2.gz RCPUFLGTQRNPCU-SNVBAGLBSA-N 2 2 256.375 0.391 20 0 CCADLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1CC[NH2+]1 ZINC000384763113 336130849 /nfs/dbraw/zinc/13/08/49/336130849.db2.gz XEDDCLUOUCKIRW-HUUCEWRRSA-N 2 2 289.379 0.366 20 0 CCADLP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H]1CC[NH2+]1 ZINC000384763113 336130850 /nfs/dbraw/zinc/13/08/50/336130850.db2.gz XEDDCLUOUCKIRW-HUUCEWRRSA-N 2 2 289.379 0.366 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000581829350 336148875 /nfs/dbraw/zinc/14/88/75/336148875.db2.gz OQEWFWSYSXXDQY-KBPBESRZSA-N 3 2 257.422 0.621 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000581829350 336148877 /nfs/dbraw/zinc/14/88/77/336148877.db2.gz OQEWFWSYSXXDQY-KBPBESRZSA-N 3 2 257.422 0.621 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000581829351 336148987 /nfs/dbraw/zinc/14/89/87/336148987.db2.gz OQEWFWSYSXXDQY-KGLIPLIRSA-N 3 2 257.422 0.621 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000581829351 336148988 /nfs/dbraw/zinc/14/89/88/336148988.db2.gz OQEWFWSYSXXDQY-KGLIPLIRSA-N 3 2 257.422 0.621 20 0 CCADLP Cc1c(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cnn1C ZINC000386145170 336167084 /nfs/dbraw/zinc/16/70/84/336167084.db2.gz OETSGXYDBSNQBJ-ZDUSSCGKSA-N 2 2 252.362 0.273 20 0 CCADLP Cc1c(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cnn1C ZINC000386145170 336167085 /nfs/dbraw/zinc/16/70/85/336167085.db2.gz OETSGXYDBSNQBJ-ZDUSSCGKSA-N 2 2 252.362 0.273 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)S[C@@H](C)C1 ZINC000386328555 336170934 /nfs/dbraw/zinc/17/09/34/336170934.db2.gz JRKXBZKNUIWHBT-XQQFMLRXSA-N 2 2 276.446 0.751 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)S[C@@H](C)C1 ZINC000386328555 336170936 /nfs/dbraw/zinc/17/09/36/336170936.db2.gz JRKXBZKNUIWHBT-XQQFMLRXSA-N 2 2 276.446 0.751 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000386328555 336170937 /nfs/dbraw/zinc/17/09/37/336170937.db2.gz JRKXBZKNUIWHBT-XQQFMLRXSA-N 2 2 276.446 0.751 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000386328555 336170939 /nfs/dbraw/zinc/17/09/39/336170939.db2.gz JRKXBZKNUIWHBT-XQQFMLRXSA-N 2 2 276.446 0.751 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000582006076 336189881 /nfs/dbraw/zinc/18/98/81/336189881.db2.gz XZQKKLGOKPJGDS-OLZOCXBDSA-N 2 2 292.383 0.282 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000582006076 336189882 /nfs/dbraw/zinc/18/98/82/336189882.db2.gz XZQKKLGOKPJGDS-OLZOCXBDSA-N 2 2 292.383 0.282 20 0 CCADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)Cn1cc[nH+]c1 ZINC000582015067 336192651 /nfs/dbraw/zinc/19/26/51/336192651.db2.gz ZHWSMWLSUYAHEX-UHFFFAOYSA-N 2 2 294.399 0.700 20 0 CCADLP CCNC(=O)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000182619540 521739856 /nfs/dbraw/zinc/73/98/56/521739856.db2.gz VVRATMMHXOFZIZ-UHFFFAOYSA-N 2 2 265.361 0.620 20 0 CCADLP C[C@@H](C[NH3+])CNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000418466840 533760596 /nfs/dbraw/zinc/76/05/96/533760596.db2.gz HOOBFGXJDIMTHP-ZDUSSCGKSA-N 2 2 291.399 0.504 20 0 CCADLP C[C@H](CCCC[NH3+])NC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000418226294 533841796 /nfs/dbraw/zinc/84/17/96/533841796.db2.gz YMNZIZCKTBFSLC-TZMCWYRMSA-N 2 2 298.431 0.666 20 0 CCADLP C[C@H](CCCC[NH3+])NC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000418226294 533841801 /nfs/dbraw/zinc/84/18/01/533841801.db2.gz YMNZIZCKTBFSLC-TZMCWYRMSA-N 2 2 298.431 0.666 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCNC(=O)C1CCC1 ZINC000358408121 533903601 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CC[N@@H+](CCO)CC[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000184537974 521117207 /nfs/dbraw/zinc/11/72/07/521117207.db2.gz NCRJNHPCMHUYFF-UHFFFAOYSA-N 2 2 262.357 0.967 20 0 CCADLP CCOC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000363453534 521198612 /nfs/dbraw/zinc/19/86/12/521198612.db2.gz YRZOBEXGROVHHQ-ZDUSSCGKSA-N 2 2 284.400 0.982 20 0 CCADLP [NH3+]CCCNC(=O)NCCCCNc1cccc[nH+]1 ZINC000418307896 534614179 /nfs/dbraw/zinc/61/41/79/534614179.db2.gz FNRMBWDHJICLDY-UHFFFAOYSA-N 2 2 265.361 0.922 20 0 CCADLP C[N@@H+]1CCC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000526003483 545101489 /nfs/dbraw/zinc/10/14/89/545101489.db2.gz BDDTXWHWLORZEC-LLVKDONJSA-N 2 2 250.346 0.800 20 0 CCADLP C[N@H+]1CCC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000526003483 545101490 /nfs/dbraw/zinc/10/14/90/545101490.db2.gz BDDTXWHWLORZEC-LLVKDONJSA-N 2 2 250.346 0.800 20 0 CCADLP C[N@@H+]1CCC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000526003483 545101491 /nfs/dbraw/zinc/10/14/91/545101491.db2.gz BDDTXWHWLORZEC-LLVKDONJSA-N 2 2 250.346 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CC(C)[C@H](CNC(=O)[C@H](C)[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000674289381 545302989 /nfs/dbraw/zinc/30/29/89/545302989.db2.gz GMPNXXSUSPOERQ-KBPBESRZSA-N 2 2 284.448 0.325 20 0 CCADLP COC[C@H](C)CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000674800106 545313388 /nfs/dbraw/zinc/31/33/88/545313388.db2.gz VTRWVOSWWOJAOD-KGLIPLIRSA-N 2 2 297.443 0.944 20 0 CCADLP COC[C@H](C)CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000674800106 545313389 /nfs/dbraw/zinc/31/33/89/545313389.db2.gz VTRWVOSWWOJAOD-KGLIPLIRSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000674880500 545317162 /nfs/dbraw/zinc/31/71/62/545317162.db2.gz KGPPQLQFOVYMAJ-OXJKWZBOSA-N 2 2 294.399 0.247 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O ZINC000674880500 545317163 /nfs/dbraw/zinc/31/71/63/545317163.db2.gz KGPPQLQFOVYMAJ-OXJKWZBOSA-N 2 2 294.399 0.247 20 0 CCADLP C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1C[NH+](C)CCO1 ZINC000676246463 545338595 /nfs/dbraw/zinc/33/85/95/545338595.db2.gz VUCLIALNIXGONF-SGMGOOAPSA-N 2 2 296.415 0.241 20 0 CCADLP C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC2)C1)[C@H]1C[NH+](C)CCO1 ZINC000676246463 545338596 /nfs/dbraw/zinc/33/85/96/545338596.db2.gz VUCLIALNIXGONF-SGMGOOAPSA-N 2 2 296.415 0.241 20 0 CCADLP C[C@H](NC(=O)N[C@H]1CC[NH+](C2CC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000676246463 545338597 /nfs/dbraw/zinc/33/85/97/545338597.db2.gz VUCLIALNIXGONF-SGMGOOAPSA-N 2 2 296.415 0.241 20 0 CCADLP C[C@H](NC(=O)N[C@H]1CC[NH+](C2CC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000676246463 545338598 /nfs/dbraw/zinc/33/85/98/545338598.db2.gz VUCLIALNIXGONF-SGMGOOAPSA-N 2 2 296.415 0.241 20 0 CCADLP CC[NH+](CC)CCCNC(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000358831949 535517079 /nfs/dbraw/zinc/51/70/79/535517079.db2.gz MKDQSDVCAMPSPC-CQSZACIVSA-N 2 2 284.448 0.470 20 0 CCADLP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1C[NH+](C)CCO1 ZINC000676246458 545338791 /nfs/dbraw/zinc/33/87/91/545338791.db2.gz VUCLIALNIXGONF-OUCADQQQSA-N 2 2 296.415 0.241 20 0 CCADLP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1C[NH+](C)CCO1 ZINC000676246458 545338792 /nfs/dbraw/zinc/33/87/92/545338792.db2.gz VUCLIALNIXGONF-OUCADQQQSA-N 2 2 296.415 0.241 20 0 CCADLP C[C@H](NC(=O)N[C@@H]1CC[NH+](C2CC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000676246458 545338793 /nfs/dbraw/zinc/33/87/93/545338793.db2.gz VUCLIALNIXGONF-OUCADQQQSA-N 2 2 296.415 0.241 20 0 CCADLP C[C@H](NC(=O)N[C@@H]1CC[NH+](C2CC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000676246458 545338794 /nfs/dbraw/zinc/33/87/94/545338794.db2.gz VUCLIALNIXGONF-OUCADQQQSA-N 2 2 296.415 0.241 20 0 CCADLP CC(C)(C)[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000676373235 545342521 /nfs/dbraw/zinc/34/25/21/545342521.db2.gz KNPCIXSYHKFZCO-KBPBESRZSA-N 2 2 297.443 0.808 20 0 CCADLP CC(C)(C)[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000676373235 545342522 /nfs/dbraw/zinc/34/25/22/545342522.db2.gz KNPCIXSYHKFZCO-KBPBESRZSA-N 2 2 297.443 0.808 20 0 CCADLP CC(C)[NH2+][C@H]1CCCN(C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000676702755 545349666 /nfs/dbraw/zinc/34/96/66/545349666.db2.gz VTYDWWVIOJDGFD-LSDHHAIUSA-N 2 2 285.432 0.142 20 0 CCADLP CC[N@@H+]1CCN([C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000678718698 545396445 /nfs/dbraw/zinc/39/64/45/545396445.db2.gz MUZYDYKDNHKLTI-UONOGXRCSA-N 2 2 255.406 0.733 20 0 CCADLP CC[N@H+]1CCN([C@@H](C)C[NH+]2CCOCC2)C[C@H]1C ZINC000678718698 545396446 /nfs/dbraw/zinc/39/64/46/545396446.db2.gz MUZYDYKDNHKLTI-UONOGXRCSA-N 2 2 255.406 0.733 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000372324029 536374463 /nfs/dbraw/zinc/37/44/63/536374463.db2.gz FKKGXYMXLCDKDP-NWDGAFQWSA-N 2 2 262.357 0.656 20 0 CCADLP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000372324029 536374467 /nfs/dbraw/zinc/37/44/67/536374467.db2.gz FKKGXYMXLCDKDP-NWDGAFQWSA-N 2 2 262.357 0.656 20 0 CCADLP C[N@H+](CCNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000368201564 536382522 /nfs/dbraw/zinc/38/25/22/536382522.db2.gz GLFRPTIAXUBGGU-SNVBAGLBSA-N 2 2 277.372 0.660 20 0 CCADLP C[N@@H+](CCNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000368201564 536382525 /nfs/dbraw/zinc/38/25/25/536382525.db2.gz GLFRPTIAXUBGGU-SNVBAGLBSA-N 2 2 277.372 0.660 20 0 CCADLP C[N@H+](CCNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000368201564 536382528 /nfs/dbraw/zinc/38/25/28/536382528.db2.gz GLFRPTIAXUBGGU-SNVBAGLBSA-N 2 2 277.372 0.660 20 0 CCADLP C[N@@H+](CCNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000368201564 536382530 /nfs/dbraw/zinc/38/25/30/536382530.db2.gz GLFRPTIAXUBGGU-SNVBAGLBSA-N 2 2 277.372 0.660 20 0 CCADLP O=C1NC(=O)C2(CCC([NH2+]CC[NH+]3CCCC3)CC2)N1 ZINC000679113773 545402245 /nfs/dbraw/zinc/40/22/45/545402245.db2.gz HIYOCLAPQXBTHE-UHFFFAOYSA-N 2 2 280.372 0.193 20 0 CCADLP COCC[C@@H](C)[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000360892748 536779912 /nfs/dbraw/zinc/77/99/12/536779912.db2.gz XJOSNZPDBQIYCK-OLZOCXBDSA-N 2 2 294.399 0.926 20 0 CCADLP COCC[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CC[C@@H](C)C1 ZINC000362169914 536812887 /nfs/dbraw/zinc/81/28/87/536812887.db2.gz LXZIJEGKSUSKTC-CABCVRRESA-N 2 2 297.443 0.897 20 0 CCADLP COCC[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CC[C@@H](C)C1 ZINC000362169914 536812895 /nfs/dbraw/zinc/81/28/95/536812895.db2.gz LXZIJEGKSUSKTC-CABCVRRESA-N 2 2 297.443 0.897 20 0 CCADLP CC[N@@H+]1CCN(c2cc[nH+]c(N3CCOCC3)n2)C[C@H]1C ZINC000680528321 545431604 /nfs/dbraw/zinc/43/16/04/545431604.db2.gz DBQUKBYMWMSMKA-CYBMUJFWSA-N 2 2 291.399 0.844 20 0 CCADLP CC[N@H+]1CCN(c2cc[nH+]c(N3CCOCC3)n2)C[C@H]1C ZINC000680528321 545431605 /nfs/dbraw/zinc/43/16/05/545431605.db2.gz DBQUKBYMWMSMKA-CYBMUJFWSA-N 2 2 291.399 0.844 20 0 CCADLP CC[N@@H+]1CCN(c2cc[nH+]c(N3CCOCC3)n2)C[C@@H]1C ZINC000680528326 545431656 /nfs/dbraw/zinc/43/16/56/545431656.db2.gz DBQUKBYMWMSMKA-ZDUSSCGKSA-N 2 2 291.399 0.844 20 0 CCADLP CC[N@H+]1CCN(c2cc[nH+]c(N3CCOCC3)n2)C[C@@H]1C ZINC000680528326 545431657 /nfs/dbraw/zinc/43/16/57/545431657.db2.gz DBQUKBYMWMSMKA-ZDUSSCGKSA-N 2 2 291.399 0.844 20 0 CCADLP CC[N@@H+]1CCO[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000680582268 545432824 /nfs/dbraw/zinc/43/28/24/545432824.db2.gz VWBJGRJSXIJOQG-GFCCVEGCSA-N 2 2 292.383 0.598 20 0 CCADLP CC[N@H+]1CCO[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000680582268 545432825 /nfs/dbraw/zinc/43/28/25/545432825.db2.gz VWBJGRJSXIJOQG-GFCCVEGCSA-N 2 2 292.383 0.598 20 0 CCADLP C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000682501975 545480954 /nfs/dbraw/zinc/48/09/54/545480954.db2.gz BSOFKVZRFCTYQS-OLZOCXBDSA-N 2 2 276.384 0.856 20 0 CCADLP C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000682501974 545481068 /nfs/dbraw/zinc/48/10/68/545481068.db2.gz BSOFKVZRFCTYQS-CHWSQXEVSA-N 2 2 276.384 0.856 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC[N@H+]1C ZINC000682525789 545482267 /nfs/dbraw/zinc/48/22/67/545482267.db2.gz NRTNNMSKHRZNMH-AGIUHOORSA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC[N@@H+]1C ZINC000682525789 545482268 /nfs/dbraw/zinc/48/22/68/545482268.db2.gz NRTNNMSKHRZNMH-AGIUHOORSA-N 2 2 276.384 0.997 20 0 CCADLP COC1(C[C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)CCC1 ZINC000683227999 545499798 /nfs/dbraw/zinc/49/97/98/545499798.db2.gz LQZXQQGMZHKLOQ-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP Cn1ncc2c1nc(N1CCC[C@@H](n3cc[nH+]c3)C1)[nH+]c2N ZINC000683456843 545524721 /nfs/dbraw/zinc/52/47/21/545524721.db2.gz CDFRHGRVGBGZBM-SNVBAGLBSA-N 2 2 298.354 0.984 20 0 CCADLP C[C@H](NC(=O)c1cccc2[nH+]ccn21)[C@@H]1C[N@H+](C)CCO1 ZINC000777036732 581104207 /nfs/dbraw/zinc/10/42/07/581104207.db2.gz IMPSHFQFASZSFB-AAEUAGOBSA-N 2 2 288.351 0.783 20 0 CCADLP C[C@H](NC(=O)c1cccc2[nH+]ccn21)[C@@H]1C[N@@H+](C)CCO1 ZINC000777036732 581104208 /nfs/dbraw/zinc/10/42/08/581104208.db2.gz IMPSHFQFASZSFB-AAEUAGOBSA-N 2 2 288.351 0.783 20 0 CCADLP C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)[C@@H](C(N)=O)C1 ZINC000778291335 581149087 /nfs/dbraw/zinc/14/90/87/581149087.db2.gz DPZICIRASLCIDX-FRRDWIJNSA-N 2 2 269.389 0.029 20 0 CCADLP C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)[C@@H](C(N)=O)C1 ZINC000778291335 581149090 /nfs/dbraw/zinc/14/90/90/581149090.db2.gz DPZICIRASLCIDX-FRRDWIJNSA-N 2 2 269.389 0.029 20 0 CCADLP O=C(OCC[NH+]1CCOCC1)c1ccc2c[nH+]cn2c1 ZINC000792551774 581265715 /nfs/dbraw/zinc/26/57/15/581265715.db2.gz DUVYGUOSJHQEFN-UHFFFAOYSA-N 2 2 275.308 0.823 20 0 CCADLP OC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000782062122 581286720 /nfs/dbraw/zinc/28/67/20/581286720.db2.gz FTSCNHRXHKYXIR-HUUCEWRRSA-N 2 2 282.359 0.905 20 0 CCADLP CO[C@@H]1CCC[N@H+](CN2C[C@@H](c3c[nH+]cn3C)CC2=O)C1 ZINC000783978724 581369563 /nfs/dbraw/zinc/36/95/63/581369563.db2.gz MTTALQVQLJCNNC-QWHCGFSZSA-N 2 2 292.383 0.804 20 0 CCADLP CO[C@@H]1CCC[N@@H+](CN2C[C@@H](c3c[nH+]cn3C)CC2=O)C1 ZINC000783978724 581369565 /nfs/dbraw/zinc/36/95/65/581369565.db2.gz MTTALQVQLJCNNC-QWHCGFSZSA-N 2 2 292.383 0.804 20 0 CCADLP CO[C@H]1CCC[N@H+](CN2C[C@H](c3c[nH+]cn3C)CC2=O)C1 ZINC000783978722 581369772 /nfs/dbraw/zinc/36/97/72/581369772.db2.gz MTTALQVQLJCNNC-OLZOCXBDSA-N 2 2 292.383 0.804 20 0 CCADLP CO[C@H]1CCC[N@@H+](CN2C[C@H](c3c[nH+]cn3C)CC2=O)C1 ZINC000783978722 581369775 /nfs/dbraw/zinc/36/97/75/581369775.db2.gz MTTALQVQLJCNNC-OLZOCXBDSA-N 2 2 292.383 0.804 20 0 CCADLP COC[C@](C)(O)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000796305209 581436352 /nfs/dbraw/zinc/43/63/52/581436352.db2.gz PKGNGFDJCSOTOO-GFCCVEGCSA-N 2 2 273.402 0.692 20 0 CCADLP COC[C@](C)(CO)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000796317335 581436536 /nfs/dbraw/zinc/43/65/36/581436536.db2.gz RLDADWZSKLJDKA-LBPRGKRZSA-N 2 2 273.402 0.692 20 0 CCADLP C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000796378531 581439292 /nfs/dbraw/zinc/43/92/92/581439292.db2.gz RMWWINLZQBKMFD-BZUAXINKSA-N 2 2 297.443 0.238 20 0 CCADLP C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000796378531 581439293 /nfs/dbraw/zinc/43/92/93/581439293.db2.gz RMWWINLZQBKMFD-BZUAXINKSA-N 2 2 297.443 0.238 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C[C@H](O)C[NH+]1CCCC1 ZINC000796378531 581439294 /nfs/dbraw/zinc/43/92/94/581439294.db2.gz RMWWINLZQBKMFD-BZUAXINKSA-N 2 2 297.443 0.238 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C2CC2)CC[N@@H+]1C ZINC000787390829 581469623 /nfs/dbraw/zinc/46/96/23/581469623.db2.gz NUIZRXLFIGHGKJ-YPMHNXCESA-N 2 2 251.374 0.776 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2C2CC2)CC[N@H+]1C ZINC000787390829 581469625 /nfs/dbraw/zinc/46/96/25/581469625.db2.gz NUIZRXLFIGHGKJ-YPMHNXCESA-N 2 2 251.374 0.776 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC[NH+]1C ZINC000787390829 581469626 /nfs/dbraw/zinc/46/96/26/581469626.db2.gz NUIZRXLFIGHGKJ-YPMHNXCESA-N 2 2 251.374 0.776 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC[NH+]1C ZINC000787390829 581469628 /nfs/dbraw/zinc/46/96/28/581469628.db2.gz NUIZRXLFIGHGKJ-YPMHNXCESA-N 2 2 251.374 0.776 20 0 CCADLP Cc1cc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)c(C)o1 ZINC000767349438 581607542 /nfs/dbraw/zinc/60/75/42/581607542.db2.gz TZLRGQZVSGXQRE-UHFFFAOYSA-N 2 2 265.357 0.760 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)N(C)CCC[NH+](C)C)CCO1 ZINC000758441406 581746585 /nfs/dbraw/zinc/74/65/85/581746585.db2.gz JQVDCERVOUIFIQ-ZDUSSCGKSA-N 2 2 286.420 0.300 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)N(C)CCC[NH+](C)C)CCO1 ZINC000758441406 581746588 /nfs/dbraw/zinc/74/65/88/581746588.db2.gz JQVDCERVOUIFIQ-ZDUSSCGKSA-N 2 2 286.420 0.300 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@@H]2CCC[NH+](C)C2)CCO1 ZINC000731115655 581753668 /nfs/dbraw/zinc/75/36/68/581753668.db2.gz DXKJMLISYLZTAA-KGLIPLIRSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H]2CCC[NH+](C)C2)CCO1 ZINC000731115655 581753673 /nfs/dbraw/zinc/75/36/73/581753673.db2.gz DXKJMLISYLZTAA-KGLIPLIRSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2CCC[N@H+](C)C2)CCO1 ZINC000731115655 581753678 /nfs/dbraw/zinc/75/36/78/581753678.db2.gz DXKJMLISYLZTAA-KGLIPLIRSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)CCO1 ZINC000731115655 581753683 /nfs/dbraw/zinc/75/36/83/581753683.db2.gz DXKJMLISYLZTAA-KGLIPLIRSA-N 2 2 298.431 0.348 20 0 CCADLP CCNC(=S)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732720549 581844761 /nfs/dbraw/zinc/84/47/61/581844761.db2.gz JQAALYDMKBLUGQ-LLVKDONJSA-N 2 2 270.446 0.639 20 0 CCADLP CCNC(=S)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732720549 581844765 /nfs/dbraw/zinc/84/47/65/581844765.db2.gz JQAALYDMKBLUGQ-LLVKDONJSA-N 2 2 270.446 0.639 20 0 CCADLP C[C@H]1C[NH+]=C(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)S1 ZINC000744606881 581845698 /nfs/dbraw/zinc/84/56/98/581845698.db2.gz SDFVFFMSKTZGDQ-NWDGAFQWSA-N 2 2 296.440 0.716 20 0 CCADLP C[C@H]1C[NH+]=C(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)S1 ZINC000744606881 581845699 /nfs/dbraw/zinc/84/56/99/581845699.db2.gz SDFVFFMSKTZGDQ-NWDGAFQWSA-N 2 2 296.440 0.716 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000761075030 581885470 /nfs/dbraw/zinc/88/54/70/581885470.db2.gz ZMRFFNBBVYOJOC-ZIAGYGMSSA-N 2 2 282.432 0.175 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)N2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000761075030 581885474 /nfs/dbraw/zinc/88/54/74/581885474.db2.gz ZMRFFNBBVYOJOC-ZIAGYGMSSA-N 2 2 282.432 0.175 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@H]1CCCCNC1=O ZINC000772746634 581888203 /nfs/dbraw/zinc/88/82/03/581888203.db2.gz CCQSRRHYTLFMCX-STQMWFEESA-N 2 2 269.389 0.044 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@H]1CCCCNC1=O ZINC000772746634 581888206 /nfs/dbraw/zinc/88/82/06/581888206.db2.gz CCQSRRHYTLFMCX-STQMWFEESA-N 2 2 269.389 0.044 20 0 CCADLP C[NH+]1CCN(CCNc2nc(N3CCCC3)cc[nH+]2)CC1 ZINC000733186535 581888826 /nfs/dbraw/zinc/88/88/26/581888826.db2.gz ZDSVLQXSPKGERJ-UHFFFAOYSA-N 2 2 290.415 0.736 20 0 CCADLP C[S@](=O)CC[NH+]1CCN(CC[NH+]2CCCCC2)CC1 ZINC000746467124 581915103 /nfs/dbraw/zinc/91/51/03/581915103.db2.gz KFMHLZJJNXZNIN-IBGZPJMESA-N 2 2 287.473 0.468 20 0 CCADLP C[C@H]1C[C@H]([NH2+]C2CCN(C=O)CC2)C[N@@H+]1C1CC1 ZINC000774220703 581965601 /nfs/dbraw/zinc/96/56/01/581965601.db2.gz ZNSGRGZEKBALHI-AAEUAGOBSA-N 2 2 251.374 0.822 20 0 CCADLP C[C@H]1C[C@H]([NH2+]C2CCN(C=O)CC2)C[N@H+]1C1CC1 ZINC000774220703 581965602 /nfs/dbraw/zinc/96/56/02/581965602.db2.gz ZNSGRGZEKBALHI-AAEUAGOBSA-N 2 2 251.374 0.822 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C1([NH+](C)C)CCC1 ZINC000763022718 581977670 /nfs/dbraw/zinc/97/76/70/581977670.db2.gz GCEVWWNSNHYYNS-NSHDSACASA-N 2 2 250.346 0.872 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[NH+]1CCC(n2ccnc2)CC1 ZINC000750978224 582066301 /nfs/dbraw/zinc/06/63/01/582066301.db2.gz JHRSEJQWZZUXFG-HNNXBMFYSA-N 2 2 278.400 0.977 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000750978224 582066303 /nfs/dbraw/zinc/06/63/03/582066303.db2.gz JHRSEJQWZZUXFG-HNNXBMFYSA-N 3 2 278.400 0.977 20 0 CCADLP O=C(CC[NH+]1CCOCC1)N1CC[NH+](C2CC2)CC1 ZINC000751386407 582078132 /nfs/dbraw/zinc/07/81/32/582078132.db2.gz TXTZWXNLSACLBY-UHFFFAOYSA-N 2 2 267.373 0.015 20 0 CCADLP COC(=O)[C@H]1[C@@H](C[NH2+]C(C)(C)C[NH+](C)C)C1(F)F ZINC000894969313 616733194 /nfs/dbraw/zinc/73/31/94/616733194.db2.gz KDAJJLRBISEKAN-RKDXNWHRSA-N 2 2 264.316 0.971 20 0 CCADLP CC(C)CC[C@@H](O)CN1C[C@@H](c2c[nH+]cn2C)[C@H]([NH3+])C1 ZINC000923421472 614059963 /nfs/dbraw/zinc/05/99/63/614059963.db2.gz UFLISXBQHHJCAD-MGPQQGTHSA-N 2 2 280.416 0.944 20 0 CCADLP CC(C)(CC[NH+]1CCOCC1)NC(=O)CCc1[nH]cc[nH+]1 ZINC000912950121 614083834 /nfs/dbraw/zinc/08/38/34/614083834.db2.gz AWLSCAQCEOIXDS-UHFFFAOYSA-N 2 2 294.399 0.959 20 0 CCADLP COc1cccc(OC)c1OC[C@H](O)C[N@H+](C)[C@H](C)C[NH3+] ZINC000923292052 617306162 /nfs/dbraw/zinc/30/61/62/617306162.db2.gz WSFKAXPILBVQCR-VXGBXAGGSA-N 2 2 298.383 0.723 20 0 CCADLP COc1cccc(OC)c1OC[C@H](O)C[N@@H+](C)[C@H](C)C[NH3+] ZINC000923292052 617306163 /nfs/dbraw/zinc/30/61/63/617306163.db2.gz WSFKAXPILBVQCR-VXGBXAGGSA-N 2 2 298.383 0.723 20 0 CCADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000876960906 613209722 /nfs/dbraw/zinc/20/97/22/613209722.db2.gz PEAALAXWDYZNIX-JFOCPDPESA-N 3 2 296.459 0.398 20 0 CCADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000876960906 613209723 /nfs/dbraw/zinc/20/97/23/613209723.db2.gz PEAALAXWDYZNIX-JFOCPDPESA-N 3 2 296.459 0.398 20 0 CCADLP C(CN1CC[NH2+]CC1)[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903483464 613223750 /nfs/dbraw/zinc/22/37/50/613223750.db2.gz HHUUTSQNYQKZSK-CYBMUJFWSA-N 3 2 252.406 0.156 20 0 CCADLP C(CC1CC[NH2+]CC1)C[N@@H+]1CCNCC[NH2+]CC1 ZINC000923460767 613224847 /nfs/dbraw/zinc/22/48/47/613224847.db2.gz VAANLBMQQSXRGO-UHFFFAOYSA-N 3 2 254.422 0.261 20 0 CCADLP C(CC1CC[NH2+]CC1)C[N@H+]1CCNCC[NH2+]CC1 ZINC000923460767 613224849 /nfs/dbraw/zinc/22/48/49/613224849.db2.gz VAANLBMQQSXRGO-UHFFFAOYSA-N 3 2 254.422 0.261 20 0 CCADLP C(CC1CC[NH2+]CC1)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923460767 613224851 /nfs/dbraw/zinc/22/48/51/613224851.db2.gz VAANLBMQQSXRGO-UHFFFAOYSA-N 3 2 254.422 0.261 20 0 CCADLP C([C@@H]1COCCO1)[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931284973 613228827 /nfs/dbraw/zinc/22/88/27/613228827.db2.gz GJWVGWVQTWYXDY-OAHLLOKOSA-N 2 2 284.400 0.589 20 0 CCADLP C([C@@H]1COCCO1)[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931284973 613228829 /nfs/dbraw/zinc/22/88/29/613228829.db2.gz GJWVGWVQTWYXDY-OAHLLOKOSA-N 2 2 284.400 0.589 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC[C@H]([NH2+]CC2CC2)C1 ZINC000883371880 613233576 /nfs/dbraw/zinc/23/35/76/613233576.db2.gz CUFYISBQAMJSNR-HNNXBMFYSA-N 2 2 267.417 0.783 20 0 CCADLP C/C(=C/C(=O)NCCCC[NH+](C)C)C[NH+]1CCOCC1 ZINC000900690819 613235928 /nfs/dbraw/zinc/23/59/28/613235928.db2.gz SLVBEBMKJOGYKP-OWBHPGMISA-N 2 2 283.416 0.723 20 0 CCADLP C/C(=C/C(=O)NC[C@H]1CC[N@@H+](C)C1)C[NH+]1CCOCC1 ZINC000900306470 613237766 /nfs/dbraw/zinc/23/77/66/613237766.db2.gz RIOQUNKNABJZPR-RNQWEJQRSA-N 2 2 281.400 0.333 20 0 CCADLP C/C(=C/C(=O)NC[C@H]1CC[N@H+](C)C1)C[NH+]1CCOCC1 ZINC000900306470 613237767 /nfs/dbraw/zinc/23/77/67/613237767.db2.gz RIOQUNKNABJZPR-RNQWEJQRSA-N 2 2 281.400 0.333 20 0 CCADLP C/C(=C\C(=O)NC[C@H]1CCC[N@@H+](C)C1)C[NH+]1CCOCC1 ZINC000900631114 613257532 /nfs/dbraw/zinc/25/75/32/613257532.db2.gz VTKJLXBJQWEHBR-YVGNARHYSA-N 2 2 295.427 0.723 20 0 CCADLP C/C(=C\C(=O)NC[C@H]1CCC[N@H+](C)C1)C[NH+]1CCOCC1 ZINC000900631114 613257533 /nfs/dbraw/zinc/25/75/33/613257533.db2.gz VTKJLXBJQWEHBR-YVGNARHYSA-N 2 2 295.427 0.723 20 0 CCADLP CC(=O)NCCC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931305384 613725964 /nfs/dbraw/zinc/72/59/64/613725964.db2.gz FGBYZNHUVZNKFS-ZIAGYGMSSA-N 2 2 253.390 0.786 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)CC1 ZINC000930614655 613939201 /nfs/dbraw/zinc/93/92/01/613939201.db2.gz DFIUQAUJOKDJCT-ILXRZTDVSA-N 2 2 298.427 0.615 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000911762621 613949708 /nfs/dbraw/zinc/94/97/08/613949708.db2.gz BINLXZSSZCGJAY-LBPRGKRZSA-N 2 2 264.373 0.950 20 0 CCADLP CC(C)[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000939399975 613975556 /nfs/dbraw/zinc/97/55/56/613975556.db2.gz IEXPJVMILAJMCY-GHMZBOCLSA-N 2 2 250.346 0.797 20 0 CCADLP CC(C)[NH2+][C@H](C)[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC000979341604 613978534 /nfs/dbraw/zinc/97/85/34/613978534.db2.gz AWTANYFONUUXPQ-ZIAGYGMSSA-N 2 2 294.399 0.887 20 0 CCADLP CC(C)(C[NH+]1CCOCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC000910452750 614090779 /nfs/dbraw/zinc/09/07/79/614090779.db2.gz YQFNJICPASMXNE-UHFFFAOYSA-N 2 2 281.400 0.309 20 0 CCADLP CC(C)(CNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000876710431 614106801 /nfs/dbraw/zinc/10/68/01/614106801.db2.gz KKGQZALPAXLBKY-VXGBXAGGSA-N 2 2 287.379 0.161 20 0 CCADLP CC(C)[C@@H]1C(=O)NCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903730485 614153980 /nfs/dbraw/zinc/15/39/80/614153980.db2.gz WRQYSIMUVGLGDJ-QWHCGFSZSA-N 2 2 253.390 0.833 20 0 CCADLP CC(C)[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903730485 614153981 /nfs/dbraw/zinc/15/39/81/614153981.db2.gz WRQYSIMUVGLGDJ-QWHCGFSZSA-N 2 2 253.390 0.833 20 0 CCADLP CC(C)([NH3+])CCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000891817805 614160856 /nfs/dbraw/zinc/16/08/56/614160856.db2.gz DJSAPFCKGRMZIC-SNVBAGLBSA-N 2 2 265.361 0.625 20 0 CCADLP CC(C)([NH3+])CCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000891817804 614161130 /nfs/dbraw/zinc/16/11/30/614161130.db2.gz DJSAPFCKGRMZIC-JTQLQIEISA-N 2 2 265.361 0.625 20 0 CCADLP CC(C)(O)C[C@@H](O)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000872208320 614202093 /nfs/dbraw/zinc/20/20/93/614202093.db2.gz IHOGTYOHVFRRKO-NXEZZACHSA-N 2 2 253.346 0.379 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000148686734 614356774 /nfs/dbraw/zinc/35/67/74/614356774.db2.gz NQCCSEBRRZDCIM-UHFFFAOYSA-N 2 2 269.389 0.261 20 0 CCADLP CC(C)[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000972699959 614364550 /nfs/dbraw/zinc/36/45/50/614364550.db2.gz QBCVLAOCSNKJLE-HNNXBMFYSA-N 2 2 292.383 0.595 20 0 CCADLP CC(C)[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000972699959 614364552 /nfs/dbraw/zinc/36/45/52/614364552.db2.gz QBCVLAOCSNKJLE-HNNXBMFYSA-N 2 2 292.383 0.595 20 0 CCADLP CCCn1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)nn1 ZINC000865532859 614532400 /nfs/dbraw/zinc/53/24/00/614532400.db2.gz PTAZEULTJWNFCH-LLVKDONJSA-N 2 2 260.345 0.989 20 0 CCADLP CC1(C)CC[N@H+](CCNC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000898589089 614544670 /nfs/dbraw/zinc/54/46/70/614544670.db2.gz SVANIYVOVLIPRD-LBPRGKRZSA-N 2 2 291.399 0.839 20 0 CCADLP CC1(C)CC[N@@H+](CCNC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000898589089 614544673 /nfs/dbraw/zinc/54/46/73/614544673.db2.gz SVANIYVOVLIPRD-LBPRGKRZSA-N 2 2 291.399 0.839 20 0 CCADLP CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1C[NH+](C[C@@H](C)O)C1 ZINC000950631423 614617141 /nfs/dbraw/zinc/61/71/41/614617141.db2.gz NFZLRKCUTNWMQF-OCCSQVGLSA-N 2 2 283.416 0.384 20 0 CCADLP CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C1C[NH+](C[C@@H](C)O)C1 ZINC000950631423 614617143 /nfs/dbraw/zinc/61/71/43/614617143.db2.gz NFZLRKCUTNWMQF-OCCSQVGLSA-N 2 2 283.416 0.384 20 0 CCADLP CCN(C(=O)[C@H]1CCCC[N@@H+]1C)C1C[NH+](C[C@@H](C)O)C1 ZINC000950631424 614669665 /nfs/dbraw/zinc/66/96/65/614669665.db2.gz NFZLRKCUTNWMQF-TZMCWYRMSA-N 2 2 283.416 0.384 20 0 CCADLP CCN(C(=O)[C@H]1CCCC[N@H+]1C)C1C[NH+](C[C@@H](C)O)C1 ZINC000950631424 614669668 /nfs/dbraw/zinc/66/96/68/614669668.db2.gz NFZLRKCUTNWMQF-TZMCWYRMSA-N 2 2 283.416 0.384 20 0 CCADLP CCC1([NH3+])CCN(C(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000891349578 614704041 /nfs/dbraw/zinc/70/40/41/614704041.db2.gz JBMUEFVXFLJJIX-CYBMUJFWSA-N 2 2 298.431 0.620 20 0 CCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000925675137 614807370 /nfs/dbraw/zinc/80/73/70/614807370.db2.gz VZZQROLFSBBMCI-QWRGUYRKSA-N 2 2 260.403 0.541 20 0 CCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]CC[C@H]1CCCS1(=O)=O ZINC000925765543 614808060 /nfs/dbraw/zinc/80/80/60/614808060.db2.gz KSUNBZJEZPKTMX-GHMZBOCLSA-N 2 2 260.403 0.684 20 0 CCADLP CC1(C)[NH2+]CC[C@H]1[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000925688777 614808091 /nfs/dbraw/zinc/80/80/91/614808091.db2.gz FNNMSWUDULUGKN-LLVKDONJSA-N 2 2 274.430 0.931 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1CN1CCCC1=O ZINC000846803489 614851427 /nfs/dbraw/zinc/85/14/27/614851427.db2.gz CTPIAKXXRALFBU-HUUCEWRRSA-N 2 2 297.443 0.776 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1CN1CCCC1=O ZINC000846803489 614851428 /nfs/dbraw/zinc/85/14/28/614851428.db2.gz CTPIAKXXRALFBU-HUUCEWRRSA-N 2 2 297.443 0.776 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1CN1CCCC1=O ZINC000846803489 614851429 /nfs/dbraw/zinc/85/14/29/614851429.db2.gz CTPIAKXXRALFBU-HUUCEWRRSA-N 2 2 297.443 0.776 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@@H]1CN1CCCC1=O ZINC000846803489 614851431 /nfs/dbraw/zinc/85/14/31/614851431.db2.gz CTPIAKXXRALFBU-HUUCEWRRSA-N 2 2 297.443 0.776 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC000932759470 614866474 /nfs/dbraw/zinc/86/64/74/614866474.db2.gz TVWACTUKCOOQTN-LBPRGKRZSA-N 2 2 285.388 0.264 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC000932759470 614866475 /nfs/dbraw/zinc/86/64/75/614866475.db2.gz TVWACTUKCOOQTN-LBPRGKRZSA-N 2 2 285.388 0.264 20 0 CCADLP CC1(C)[C@H]([NH2+]CCS(C)(=O)=O)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925511706 614869387 /nfs/dbraw/zinc/86/93/87/614869387.db2.gz RTQOFEGRQGNTSG-OUAUKWLOSA-N 2 2 260.403 0.397 20 0 CCADLP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](C)C[C@H]1CO ZINC000912744175 614903961 /nfs/dbraw/zinc/90/39/61/614903961.db2.gz PWXCFJWULNHGIY-AWEZNQCLSA-N 2 2 285.432 0.633 20 0 CCADLP CCCCCC[N@@H+](C)CC(=O)N1CC[NH+](C)C[C@H]1CO ZINC000912744175 614903966 /nfs/dbraw/zinc/90/39/66/614903966.db2.gz PWXCFJWULNHGIY-AWEZNQCLSA-N 2 2 285.432 0.633 20 0 CCADLP CCCCCC[NH+](C)CC(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912744175 614903969 /nfs/dbraw/zinc/90/39/69/614903969.db2.gz PWXCFJWULNHGIY-AWEZNQCLSA-N 2 2 285.432 0.633 20 0 CCADLP CCCCCC[NH+](C)CC(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912744175 614903973 /nfs/dbraw/zinc/90/39/73/614903973.db2.gz PWXCFJWULNHGIY-AWEZNQCLSA-N 2 2 285.432 0.633 20 0 CCADLP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925855577 614911875 /nfs/dbraw/zinc/91/18/75/614911875.db2.gz CVCWAIYUXBGFSE-SHARSMKWSA-N 3 2 267.417 0.971 20 0 CCADLP CC1([NH+]2CCC2)CCC([NH2+][C@H]2C[NH2+]CCOC2)CC1 ZINC000925855580 614911889 /nfs/dbraw/zinc/91/18/89/614911889.db2.gz CVCWAIYUXBGFSE-SLTAFYQDSA-N 3 2 267.417 0.971 20 0 CCADLP CC1([NH+]2CCC2)CC[NH+](CCN2CCNC2=O)CC1 ZINC000880475873 614912175 /nfs/dbraw/zinc/91/21/75/614912175.db2.gz ZTVJXOXETGMLPK-UHFFFAOYSA-N 2 2 266.389 0.572 20 0 CCADLP CCCOC(=O)[C@@H](C)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931486071 614929728 /nfs/dbraw/zinc/92/97/28/614929728.db2.gz UVKYQHFPZDSJTM-GFCCVEGCSA-N 2 2 272.389 0.717 20 0 CCADLP CC1=NO[C@@H](C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000827413471 614982324 /nfs/dbraw/zinc/98/23/24/614982324.db2.gz GYJXQBUIBZRVGZ-GXTWGEPZSA-N 2 2 294.399 0.436 20 0 CCADLP CC1=NO[C@@H](C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000827413471 614982328 /nfs/dbraw/zinc/98/23/28/614982328.db2.gz GYJXQBUIBZRVGZ-GXTWGEPZSA-N 2 2 294.399 0.436 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCOC2CC2)CC1 ZINC000929516552 614988060 /nfs/dbraw/zinc/98/80/60/614988060.db2.gz AVXMIMZVAFXOKN-UHFFFAOYSA-N 2 2 283.416 0.651 20 0 CCADLP CCC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[N@@H+]1CCOC ZINC000901273240 615012666 /nfs/dbraw/zinc/01/26/66/615012666.db2.gz HBFGDXJCFIKGAN-CQSZACIVSA-N 2 2 294.399 0.912 20 0 CCADLP CCC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[N@H+]1CCOC ZINC000901273240 615012669 /nfs/dbraw/zinc/01/26/69/615012669.db2.gz HBFGDXJCFIKGAN-CQSZACIVSA-N 2 2 294.399 0.912 20 0 CCADLP CCNC(=O)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880264272 615047732 /nfs/dbraw/zinc/04/77/32/615047732.db2.gz RWPQDKLBPLSBJG-GFCCVEGCSA-N 2 2 262.357 0.728 20 0 CCADLP CCNC(=O)C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880264272 615047733 /nfs/dbraw/zinc/04/77/33/615047733.db2.gz RWPQDKLBPLSBJG-GFCCVEGCSA-N 2 2 262.357 0.728 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886867822 615058582 /nfs/dbraw/zinc/05/85/82/615058582.db2.gz OXWPTWLWIAIELL-DOMZBBRYSA-N 2 2 296.415 0.686 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886867822 615058584 /nfs/dbraw/zinc/05/85/84/615058584.db2.gz OXWPTWLWIAIELL-DOMZBBRYSA-N 2 2 296.415 0.686 20 0 CCADLP CCNC(=S)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000920995128 615068582 /nfs/dbraw/zinc/06/85/82/615068582.db2.gz GUEVKIYXMPTBOD-UHFFFAOYSA-N 2 2 272.462 0.839 20 0 CCADLP CCNC(=S)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000920995128 615068583 /nfs/dbraw/zinc/06/85/83/615068583.db2.gz GUEVKIYXMPTBOD-UHFFFAOYSA-N 2 2 272.462 0.839 20 0 CCADLP CCN(OC)C(=O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000842768666 615076506 /nfs/dbraw/zinc/07/65/06/615076506.db2.gz CXCPDCOADHGDGZ-NWDGAFQWSA-N 2 2 255.362 0.613 20 0 CCADLP CCN(OC)C(=O)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000842768666 615076508 /nfs/dbraw/zinc/07/65/08/615076508.db2.gz CXCPDCOADHGDGZ-NWDGAFQWSA-N 2 2 255.362 0.613 20 0 CCADLP CC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000981356008 615113483 /nfs/dbraw/zinc/11/34/83/615113483.db2.gz BOJQZJJSANHJNO-GHMZBOCLSA-N 2 2 250.346 0.989 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[NH+]1CCC1 ZINC000849014652 615131767 /nfs/dbraw/zinc/13/17/67/615131767.db2.gz JZUNIQACSXMDCG-GFCCVEGCSA-N 3 2 253.394 0.290 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[NH+]1CCC1 ZINC000849014652 615131769 /nfs/dbraw/zinc/13/17/69/615131769.db2.gz JZUNIQACSXMDCG-GFCCVEGCSA-N 3 2 253.394 0.290 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)[C@@H]2CC[C@@H]2OC)CC1 ZINC000934123645 615152194 /nfs/dbraw/zinc/15/21/94/615152194.db2.gz MEOGFQKFBVCPCV-MJBXVCDLSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)[C@@H]2CC[C@@H]2OC)CC1 ZINC000934123645 615152195 /nfs/dbraw/zinc/15/21/95/615152195.db2.gz MEOGFQKFBVCPCV-MJBXVCDLSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925545590 615162799 /nfs/dbraw/zinc/16/27/99/615162799.db2.gz BAKLPRRHFOTFGG-KGLIPLIRSA-N 3 2 268.449 0.743 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCF)C2)C1 ZINC000980448009 615169498 /nfs/dbraw/zinc/16/94/98/615169498.db2.gz ITKAEZMQJIUDPU-CHWSQXEVSA-N 2 2 287.379 0.209 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH+](C)CCF)C2)C1 ZINC000980448009 615169500 /nfs/dbraw/zinc/16/95/00/615169500.db2.gz ITKAEZMQJIUDPU-CHWSQXEVSA-N 2 2 287.379 0.209 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CCF)C2)C1 ZINC000980448009 615169501 /nfs/dbraw/zinc/16/95/01/615169501.db2.gz ITKAEZMQJIUDPU-CHWSQXEVSA-N 2 2 287.379 0.209 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CCF)C2)C1 ZINC000980448009 615169502 /nfs/dbraw/zinc/16/95/02/615169502.db2.gz ITKAEZMQJIUDPU-CHWSQXEVSA-N 2 2 287.379 0.209 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)OCC[NH+]2CCCCC2)C1 ZINC000805473154 615172501 /nfs/dbraw/zinc/17/25/01/615172501.db2.gz RVGHEVNGDQUCKQ-CYBMUJFWSA-N 2 2 270.373 0.736 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)OCC[NH+]2CCCCC2)C1 ZINC000805473154 615172502 /nfs/dbraw/zinc/17/25/02/615172502.db2.gz RVGHEVNGDQUCKQ-CYBMUJFWSA-N 2 2 270.373 0.736 20 0 CCADLP CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)C1C[NH+](CC(C)C)C1 ZINC000957413476 615180352 /nfs/dbraw/zinc/18/03/52/615180352.db2.gz NAFNXIXSOPBEHI-HNNXBMFYSA-N 2 2 297.443 0.896 20 0 CCADLP CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)C1C[NH+](CC(C)C)C1 ZINC000957413476 615180354 /nfs/dbraw/zinc/18/03/54/615180354.db2.gz NAFNXIXSOPBEHI-HNNXBMFYSA-N 2 2 297.443 0.896 20 0 CCADLP CCOC1CC(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H]([NH3+])C2)C1 ZINC000864351143 615210318 /nfs/dbraw/zinc/21/03/18/615210318.db2.gz LEMBHXICQILRDN-FIYWTHMPSA-N 2 2 292.383 0.488 20 0 CCADLP CCOC(=O)N1CCC([NH2+][C@H]2C[NH2+]CCOC2)CC1 ZINC000925537002 615226420 /nfs/dbraw/zinc/22/64/20/615226420.db2.gz HTQQLTFRXVRERM-LBPRGKRZSA-N 2 2 271.361 0.185 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000882493767 615256002 /nfs/dbraw/zinc/25/60/02/615256002.db2.gz LNFIYJNJJMUWET-DGCLKSJQSA-N 2 2 262.357 0.656 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000882493767 615256004 /nfs/dbraw/zinc/25/60/04/615256004.db2.gz LNFIYJNJJMUWET-DGCLKSJQSA-N 2 2 262.357 0.656 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)NCCCn1cc[nH+]c1 ZINC000883035407 615317361 /nfs/dbraw/zinc/31/73/61/615317361.db2.gz BKWOUJUTTRNUIO-LBPRGKRZSA-N 2 2 265.361 0.667 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)NCCCn1cc[nH+]c1 ZINC000883035407 615317364 /nfs/dbraw/zinc/31/73/64/615317364.db2.gz BKWOUJUTTRNUIO-LBPRGKRZSA-N 2 2 265.361 0.667 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000873234022 615326016 /nfs/dbraw/zinc/32/60/16/615326016.db2.gz BFVHMBRJYRUBMC-RWMBFGLXSA-N 2 2 283.416 0.648 20 0 CCADLP CC[C@@H](C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1)[NH+](C)C ZINC000913439442 615371821 /nfs/dbraw/zinc/37/18/21/615371821.db2.gz DHIVXLRIKSPXKH-NEPJUHHUSA-N 2 2 265.361 0.223 20 0 CCADLP CC[C@@H](C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)[NH+](C)C ZINC000900595451 615383937 /nfs/dbraw/zinc/38/39/37/615383937.db2.gz XYGRCCDWMZFTSX-AVGNSLFASA-N 2 2 271.405 0.552 20 0 CCADLP CCN1C[C@H](C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)OC1=O ZINC000852762172 615404063 /nfs/dbraw/zinc/40/40/63/615404063.db2.gz IGSXACSCXXTIGV-KBPBESRZSA-N 2 2 299.415 0.870 20 0 CCADLP CCN1C[C@H](C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)OC1=O ZINC000852762172 615404064 /nfs/dbraw/zinc/40/40/64/615404064.db2.gz IGSXACSCXXTIGV-KBPBESRZSA-N 2 2 299.415 0.870 20 0 CCADLP CCO[C@@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C[NH+](C)C ZINC000831714712 615408168 /nfs/dbraw/zinc/40/81/68/615408168.db2.gz XWGKKOLCVZZIGA-YPMHNXCESA-N 2 2 282.388 0.671 20 0 CCADLP CCO[C@@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C[NH+](C)C ZINC000831714712 615408169 /nfs/dbraw/zinc/40/81/69/615408169.db2.gz XWGKKOLCVZZIGA-YPMHNXCESA-N 2 2 282.388 0.671 20 0 CCADLP CCO[C@@H](CNc1nc(C)[nH+]c(N)n1)C[NH+](C)C ZINC000896110776 615410986 /nfs/dbraw/zinc/41/09/86/615410986.db2.gz BYNQVRLAAXTUEM-VIFPVBQESA-N 2 2 254.338 0.141 20 0 CCADLP CCO[C@@H](CNc1nc(N)nc(C)[nH+]1)C[NH+](C)C ZINC000896110776 615410989 /nfs/dbraw/zinc/41/09/89/615410989.db2.gz BYNQVRLAAXTUEM-VIFPVBQESA-N 2 2 254.338 0.141 20 0 CCADLP CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC000978401315 615431670 /nfs/dbraw/zinc/43/16/70/615431670.db2.gz CHRDBRKPYBGUAK-SYQHCUMBSA-N 2 2 288.395 0.759 20 0 CCADLP CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC000978401315 615431671 /nfs/dbraw/zinc/43/16/71/615431671.db2.gz CHRDBRKPYBGUAK-SYQHCUMBSA-N 2 2 288.395 0.759 20 0 CCADLP CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC000978401321 615432901 /nfs/dbraw/zinc/43/29/01/615432901.db2.gz CHRDBRKPYBGUAK-XDQVBPFNSA-N 2 2 288.395 0.759 20 0 CCADLP CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC000978401321 615432903 /nfs/dbraw/zinc/43/29/03/615432903.db2.gz CHRDBRKPYBGUAK-XDQVBPFNSA-N 2 2 288.395 0.759 20 0 CCADLP CC[C@@H](CO)Nc1cc(NCC[N@@H+]2CC[C@H](O)C2)nc[nH+]1 ZINC000894833669 615491544 /nfs/dbraw/zinc/49/15/44/615491544.db2.gz WYVLJPDDYALGHY-RYUDHWBXSA-N 2 2 295.387 0.138 20 0 CCADLP CC[C@@H](CO)Nc1cc(NCC[N@H+]2CC[C@H](O)C2)nc[nH+]1 ZINC000894833669 615491546 /nfs/dbraw/zinc/49/15/46/615491546.db2.gz WYVLJPDDYALGHY-RYUDHWBXSA-N 2 2 295.387 0.138 20 0 CCADLP CC[C@@H]1CN(C(=O)/C=C(\C)C[NH+]2CCOCC2)C[C@H](C)[NH2+]1 ZINC000912731383 615556426 /nfs/dbraw/zinc/55/64/26/615556426.db2.gz UXGCPVYCOPKAFT-WMHHWXMBSA-N 2 2 295.427 0.864 20 0 CCADLP CC[C@H](C(=O)N1CC[NH2+][C@H](C)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000911812685 615564876 /nfs/dbraw/zinc/56/48/76/615564876.db2.gz UFDXSHBIJFATLQ-MGPQQGTHSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C[NH+](C)C1CCC1 ZINC000881463860 615567110 /nfs/dbraw/zinc/56/71/10/615567110.db2.gz CCJHUMKXQTUWDI-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C[NH+](C)C1CCC1 ZINC000881463860 615567111 /nfs/dbraw/zinc/56/71/11/615567111.db2.gz CCJHUMKXQTUWDI-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)C[N@H+](C)C1CCC1 ZINC000881463860 615567112 /nfs/dbraw/zinc/56/71/12/615567112.db2.gz CCJHUMKXQTUWDI-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)C[N@@H+](C)C1CCC1 ZINC000881463860 615567113 /nfs/dbraw/zinc/56/71/13/615567113.db2.gz CCJHUMKXQTUWDI-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1C ZINC000925353557 615567652 /nfs/dbraw/zinc/56/76/52/615567652.db2.gz HMFSPWYJTHZWET-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1C ZINC000925353557 615567653 /nfs/dbraw/zinc/56/76/53/615567653.db2.gz HMFSPWYJTHZWET-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000925353557 615567654 /nfs/dbraw/zinc/56/76/54/615567654.db2.gz HMFSPWYJTHZWET-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000925353557 615567655 /nfs/dbraw/zinc/56/76/55/615567655.db2.gz HMFSPWYJTHZWET-MGPQQGTHSA-N 2 2 298.431 0.489 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@]1(CC)CCC[NH2+]1 ZINC000877433944 615568455 /nfs/dbraw/zinc/56/84/55/615568455.db2.gz KROYXHMTEMWVGX-UKRRQHHQSA-N 2 2 283.416 0.746 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@]1(CC)CCC[NH2+]1 ZINC000877433944 615568456 /nfs/dbraw/zinc/56/84/56/615568456.db2.gz KROYXHMTEMWVGX-UKRRQHHQSA-N 2 2 283.416 0.746 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC000874703482 615568681 /nfs/dbraw/zinc/56/86/81/615568681.db2.gz VJMNGRVODJATAU-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC000874703482 615568682 /nfs/dbraw/zinc/56/86/82/615568682.db2.gz VJMNGRVODJATAU-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000874703482 615568683 /nfs/dbraw/zinc/56/86/83/615568683.db2.gz VJMNGRVODJATAU-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000874703482 615568684 /nfs/dbraw/zinc/56/86/84/615568684.db2.gz VJMNGRVODJATAU-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1c[nH+]cn1C ZINC000861633489 615579884 /nfs/dbraw/zinc/57/98/84/615579884.db2.gz QRULHXURSYXHIK-WDEREUQCSA-N 2 2 251.334 0.360 20 0 CCADLP CCc1cc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)n(C)n1 ZINC000926035509 615655915 /nfs/dbraw/zinc/65/59/15/615655915.db2.gz KCGAWSUHAPJXFT-UHFFFAOYSA-N 2 2 294.403 0.527 20 0 CCADLP CCc1ncc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)o1 ZINC000923332905 615773335 /nfs/dbraw/zinc/77/33/35/615773335.db2.gz NMLHUWOSFBGOGD-LBPRGKRZSA-N 2 2 292.383 0.633 20 0 CCADLP CCc1ncc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)o1 ZINC000923332905 615773336 /nfs/dbraw/zinc/77/33/36/615773336.db2.gz NMLHUWOSFBGOGD-LBPRGKRZSA-N 2 2 292.383 0.633 20 0 CCADLP CN(C(=O)C[N@@H+]1CC[NH2+]CCC12CCOCC2)C1CC1 ZINC000903817644 615815302 /nfs/dbraw/zinc/81/53/02/615815302.db2.gz BSDBXDCRDAPYEH-UHFFFAOYSA-N 2 2 281.400 0.452 20 0 CCADLP CN(C(=O)C[N@H+]1CC[NH2+]CCC12CCOCC2)C1CC1 ZINC000903817644 615815304 /nfs/dbraw/zinc/81/53/04/615815304.db2.gz BSDBXDCRDAPYEH-UHFFFAOYSA-N 2 2 281.400 0.452 20 0 CCADLP C[NH+](C)C1(CNC(=O)Cc2c[nH]c[nH+]2)CCCC1 ZINC000900227696 615847190 /nfs/dbraw/zinc/84/71/90/615847190.db2.gz BRMXAZRSADEHEM-UHFFFAOYSA-N 2 2 250.346 0.943 20 0 CCADLP C[NH+](C)C1(CNC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000922988746 615847599 /nfs/dbraw/zinc/84/75/99/615847599.db2.gz VMKDAFOFUWFPAI-ZDUSSCGKSA-N 2 2 296.415 0.197 20 0 CCADLP C[NH+](C)CC1CN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC000854723423 615875137 /nfs/dbraw/zinc/87/51/37/615875137.db2.gz AZEIPRWSUMDAEP-UHFFFAOYSA-N 2 2 258.325 0.968 20 0 CCADLP Cn1cc([C@@H]2CN(C(=O)CCCC[NH+](C)C)CC[NH2+]2)cn1 ZINC000913469302 615876468 /nfs/dbraw/zinc/87/64/68/615876468.db2.gz RKIQMLDIACZKQV-AWEZNQCLSA-N 2 2 293.415 0.625 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1C=CCC1 ZINC000821055237 615879170 /nfs/dbraw/zinc/87/91/70/615879170.db2.gz NINZBSGBFGPURR-CYBMUJFWSA-N 2 2 268.405 0.888 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1C=CCC1 ZINC000821055237 615879171 /nfs/dbraw/zinc/87/91/71/615879171.db2.gz NINZBSGBFGPURR-CYBMUJFWSA-N 2 2 268.405 0.888 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@@H]1CCC=CO1 ZINC000854010859 615879308 /nfs/dbraw/zinc/87/93/08/615879308.db2.gz BQHIXZMPHXCQFT-AWEZNQCLSA-N 2 2 298.431 0.862 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@@H]1CCC=CO1 ZINC000854010859 615879310 /nfs/dbraw/zinc/87/93/10/615879310.db2.gz BQHIXZMPHXCQFT-AWEZNQCLSA-N 2 2 298.431 0.862 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H](O)C(C)(C)C ZINC000855414479 615879407 /nfs/dbraw/zinc/87/94/07/615879407.db2.gz DNIUAFIHEBEIAR-LBPRGKRZSA-N 2 2 273.421 0.393 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H](O)C(C)(C)C ZINC000855414479 615879411 /nfs/dbraw/zinc/87/94/11/615879411.db2.gz DNIUAFIHEBEIAR-LBPRGKRZSA-N 2 2 273.421 0.393 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ncccn1 ZINC000822965129 615879531 /nfs/dbraw/zinc/87/95/31/615879531.db2.gz AWOCPQPATHJWMU-UHFFFAOYSA-N 2 2 294.403 0.159 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ncccn1 ZINC000822965129 615879533 /nfs/dbraw/zinc/87/95/33/615879533.db2.gz AWOCPQPATHJWMU-UHFFFAOYSA-N 2 2 294.403 0.159 20 0 CCADLP C[NH+](C)CCC[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000876886929 615883488 /nfs/dbraw/zinc/88/34/88/615883488.db2.gz DYDUKITUNAXLSB-UHFFFAOYSA-N 2 2 271.386 0.375 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H](C)C[NH2+]C ZINC000877432845 615926091 /nfs/dbraw/zinc/92/60/91/615926091.db2.gz INSHYRQSSLQXKE-RYUDHWBXSA-N 2 2 257.378 0.069 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H](C)C[NH2+]C ZINC000877432845 615926093 /nfs/dbraw/zinc/92/60/93/615926093.db2.gz INSHYRQSSLQXKE-RYUDHWBXSA-N 2 2 257.378 0.069 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000874706669 615928003 /nfs/dbraw/zinc/92/80/03/615928003.db2.gz VLRBTDJJUGAPIZ-DZGCQCFKSA-N 2 2 295.427 0.840 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000874706669 615928005 /nfs/dbraw/zinc/92/80/05/615928005.db2.gz VLRBTDJJUGAPIZ-DZGCQCFKSA-N 2 2 295.427 0.840 20 0 CCADLP CC[C@H]1COCC[NH+]1CCNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000874706669 615928006 /nfs/dbraw/zinc/92/80/06/615928006.db2.gz VLRBTDJJUGAPIZ-DZGCQCFKSA-N 2 2 295.427 0.840 20 0 CCADLP CC[C@H]1COCC[NH+]1CCNC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000874706669 615928008 /nfs/dbraw/zinc/92/80/08/615928008.db2.gz VLRBTDJJUGAPIZ-DZGCQCFKSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825854449 615936292 /nfs/dbraw/zinc/93/62/92/615936292.db2.gz BEFAFFOBOHSROU-AWEZNQCLSA-N 2 2 290.371 0.269 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cnn(CCF)c1 ZINC000921930978 615951702 /nfs/dbraw/zinc/95/17/02/615951702.db2.gz WZTRTSSBFYTBHZ-GFCCVEGCSA-N 2 2 258.341 0.255 20 0 CCADLP CN(C)C(=O)N(C)[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000852653552 615978072 /nfs/dbraw/zinc/97/80/72/615978072.db2.gz WDMUPTAEADNTQX-ZIAGYGMSSA-N 2 2 298.431 0.131 20 0 CCADLP CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000852653552 615978076 /nfs/dbraw/zinc/97/80/76/615978076.db2.gz WDMUPTAEADNTQX-ZIAGYGMSSA-N 2 2 298.431 0.131 20 0 CCADLP C[NH+](C)[C@@]1(C[NH2+]C[C@@H](O)CC(C)(C)O)CCSC1 ZINC000872202246 615987268 /nfs/dbraw/zinc/98/72/68/615987268.db2.gz DRCXSTDCPISKJF-WCQYABFASA-N 2 2 276.446 0.535 20 0 CCADLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000829703527 615993317 /nfs/dbraw/zinc/99/33/17/615993317.db2.gz GKMRFGDQJTYDSH-QWRGUYRKSA-N 2 2 250.346 0.941 20 0 CCADLP C[NH+](C)[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1(C)C ZINC000864063342 615995453 /nfs/dbraw/zinc/99/54/53/615995453.db2.gz JPSYBNWYGDOPOG-MNOVXSKESA-N 2 2 250.346 0.797 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H]3C[C@@H]4COC[C@H]4O3)C[C@H]21 ZINC000931278136 615997562 /nfs/dbraw/zinc/99/75/62/615997562.db2.gz VWHVNBXTSXDNND-WZBKEBKWSA-N 2 2 252.358 0.282 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H]3C[C@@H]4COC[C@H]4O3)C[C@H]21 ZINC000931278136 615997565 /nfs/dbraw/zinc/99/75/65/615997565.db2.gz VWHVNBXTSXDNND-WZBKEBKWSA-N 2 2 252.358 0.282 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H](O)CC3(O)CCC3)C[C@H]21 ZINC000931281625 615997938 /nfs/dbraw/zinc/99/79/38/615997938.db2.gz UVFRGPPKDXVTTC-WUHRBBMRSA-N 2 2 254.374 0.144 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)CC3(O)CCC3)C[C@H]21 ZINC000931281625 615997940 /nfs/dbraw/zinc/99/79/40/615997940.db2.gz UVFRGPPKDXVTTC-WUHRBBMRSA-N 2 2 254.374 0.144 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H](O)C3(O)CCCC3)C[C@H]21 ZINC000931277644 615998135 /nfs/dbraw/zinc/99/81/35/615998135.db2.gz PUOGPQOCGXJWSC-XQHKEYJVSA-N 2 2 254.374 0.144 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)C3(O)CCCC3)C[C@H]21 ZINC000931277644 615998137 /nfs/dbraw/zinc/99/81/37/615998137.db2.gz PUOGPQOCGXJWSC-XQHKEYJVSA-N 2 2 254.374 0.144 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC000931278319 615998975 /nfs/dbraw/zinc/99/89/75/615998975.db2.gz WAWKFQTZBQIHBC-RFQIPJPRSA-N 2 2 263.385 0.632 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(C4CCC4)C3=O)C[C@H]21 ZINC000931278319 615998977 /nfs/dbraw/zinc/99/89/77/615998977.db2.gz WAWKFQTZBQIHBC-RFQIPJPRSA-N 2 2 263.385 0.632 20 0 CCADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC000799126042 616059638 /nfs/dbraw/zinc/05/96/38/616059638.db2.gz YFGYNKRKDBIUHF-STQMWFEESA-N 2 2 279.384 0.455 20 0 CCADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+]([C@H]2CCC(=O)NC2=O)C1 ZINC000799126042 616059639 /nfs/dbraw/zinc/05/96/39/616059639.db2.gz YFGYNKRKDBIUHF-STQMWFEESA-N 2 2 279.384 0.455 20 0 CCADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000799126042 616059640 /nfs/dbraw/zinc/05/96/40/616059640.db2.gz YFGYNKRKDBIUHF-STQMWFEESA-N 2 2 279.384 0.455 20 0 CCADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000799126042 616059641 /nfs/dbraw/zinc/05/96/41/616059641.db2.gz YFGYNKRKDBIUHF-STQMWFEESA-N 2 2 279.384 0.455 20 0 CCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C[NH+]1CCCC1 ZINC000822535721 616088391 /nfs/dbraw/zinc/08/83/91/616088391.db2.gz CBTAPPRRKKOSTL-UHFFFAOYSA-N 2 2 283.416 0.651 20 0 CCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C[NH+]1CCCC1 ZINC000822535721 616088392 /nfs/dbraw/zinc/08/83/92/616088392.db2.gz CBTAPPRRKKOSTL-UHFFFAOYSA-N 2 2 283.416 0.651 20 0 CCADLP C[N@H+](CCS(C)(=O)=O)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903724623 616119710 /nfs/dbraw/zinc/11/97/10/616119710.db2.gz OLQBLCKYPQTGNE-GFCCVEGCSA-N 2 2 290.429 0.122 20 0 CCADLP C[N@@H+](CCS(C)(=O)=O)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903724623 616119711 /nfs/dbraw/zinc/11/97/11/616119711.db2.gz OLQBLCKYPQTGNE-GFCCVEGCSA-N 2 2 290.429 0.122 20 0 CCADLP C[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1(C[NH3+])CCC1 ZINC000903749584 616133947 /nfs/dbraw/zinc/13/39/47/616133947.db2.gz MJGOMYBPLNMEHJ-ZDUSSCGKSA-N 3 2 267.417 0.958 20 0 CCADLP C[N@@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1(C[NH3+])CCC1 ZINC000903749584 616133948 /nfs/dbraw/zinc/13/39/48/616133948.db2.gz MJGOMYBPLNMEHJ-ZDUSSCGKSA-N 3 2 267.417 0.958 20 0 CCADLP CN(C(=O)CCF)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900669656 616172295 /nfs/dbraw/zinc/17/22/95/616172295.db2.gz OKAJLHIFQRVKGI-ZDUSSCGKSA-N 2 2 271.380 0.973 20 0 CCADLP CN(C(=O)CCF)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900669656 616172297 /nfs/dbraw/zinc/17/22/97/616172297.db2.gz OKAJLHIFQRVKGI-ZDUSSCGKSA-N 2 2 271.380 0.973 20 0 CCADLP C[N@@H+]1CCCC12CCN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)CC2 ZINC000867194204 616177991 /nfs/dbraw/zinc/17/79/91/616177991.db2.gz OPSCVWQUQJJHMM-LBPRGKRZSA-N 2 2 278.356 0.530 20 0 CCADLP C[N@H+]1CCCC12CCN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)CC2 ZINC000867194204 616177992 /nfs/dbraw/zinc/17/79/92/616177992.db2.gz OPSCVWQUQJJHMM-LBPRGKRZSA-N 2 2 278.356 0.530 20 0 CCADLP C[N@@H+]1CCCC[C@@H](CNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000869416712 616178489 /nfs/dbraw/zinc/17/84/89/616178489.db2.gz RRWPSMPHPIJJTR-DRDHIDPGSA-N 2 2 295.427 0.723 20 0 CCADLP C[N@H+]1CCCC[C@@H](CNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000869416712 616178490 /nfs/dbraw/zinc/17/84/90/616178490.db2.gz RRWPSMPHPIJJTR-DRDHIDPGSA-N 2 2 295.427 0.723 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923421808 616199581 /nfs/dbraw/zinc/19/95/81/616199581.db2.gz OSBBGJSHNKURLB-HZSPNIEDSA-N 3 2 265.401 0.533 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923421808 616199582 /nfs/dbraw/zinc/19/95/82/616199582.db2.gz OSBBGJSHNKURLB-HZSPNIEDSA-N 3 2 265.401 0.533 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923421808 616199583 /nfs/dbraw/zinc/19/95/83/616199583.db2.gz OSBBGJSHNKURLB-HZSPNIEDSA-N 3 2 265.401 0.533 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923421808 616199584 /nfs/dbraw/zinc/19/95/84/616199584.db2.gz OSBBGJSHNKURLB-HZSPNIEDSA-N 3 2 265.401 0.533 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC000866248571 616223644 /nfs/dbraw/zinc/22/36/44/616223644.db2.gz FEMJJDFXQTWANG-GOEBONIOSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC1 ZINC000902776355 616223675 /nfs/dbraw/zinc/22/36/75/616223675.db2.gz IIZKTQDARLBYLA-UNPMEBSKSA-N 2 2 293.411 0.164 20 0 CCADLP C[NH+]1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000899904602 616228758 /nfs/dbraw/zinc/22/87/58/616228758.db2.gz MHUHSFPQLGMXCP-CHWSQXEVSA-N 2 2 251.374 0.777 20 0 CCADLP C[NH+]1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000899904602 616228759 /nfs/dbraw/zinc/22/87/59/616228759.db2.gz MHUHSFPQLGMXCP-CHWSQXEVSA-N 2 2 251.374 0.777 20 0 CCADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[NH+](C)[C@H](C(C)(C)C)C1 ZINC000912026468 616229025 /nfs/dbraw/zinc/22/90/25/616229025.db2.gz IFBNBUUWBGHMLJ-WWGRRREGSA-N 2 2 297.443 0.630 20 0 CCADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[NH+](C)[C@H](C(C)(C)C)C1 ZINC000912026468 616229026 /nfs/dbraw/zinc/22/90/26/616229026.db2.gz IFBNBUUWBGHMLJ-WWGRRREGSA-N 2 2 297.443 0.630 20 0 CCADLP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[N@H+](C)[C@H](C(C)(C)C)C1 ZINC000912026468 616229027 /nfs/dbraw/zinc/22/90/27/616229027.db2.gz IFBNBUUWBGHMLJ-WWGRRREGSA-N 2 2 297.443 0.630 20 0 CCADLP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[N@@H+](C)[C@H](C(C)(C)C)C1 ZINC000912026468 616229028 /nfs/dbraw/zinc/22/90/28/616229028.db2.gz IFBNBUUWBGHMLJ-WWGRRREGSA-N 2 2 297.443 0.630 20 0 CCADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[NH+](C)[C@@H](C(C)(C)C)C1 ZINC000912026459 616229180 /nfs/dbraw/zinc/22/91/80/616229180.db2.gz IFBNBUUWBGHMLJ-IOASZLSFSA-N 2 2 297.443 0.630 20 0 CCADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[NH+](C)[C@@H](C(C)(C)C)C1 ZINC000912026459 616229181 /nfs/dbraw/zinc/22/91/81/616229181.db2.gz IFBNBUUWBGHMLJ-IOASZLSFSA-N 2 2 297.443 0.630 20 0 CCADLP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[N@H+](C)[C@@H](C(C)(C)C)C1 ZINC000912026459 616229182 /nfs/dbraw/zinc/22/91/82/616229182.db2.gz IFBNBUUWBGHMLJ-IOASZLSFSA-N 2 2 297.443 0.630 20 0 CCADLP C[NH+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[N@@H+](C)[C@@H](C(C)(C)C)C1 ZINC000912026459 616229183 /nfs/dbraw/zinc/22/91/83/616229183.db2.gz IFBNBUUWBGHMLJ-IOASZLSFSA-N 2 2 297.443 0.630 20 0 CCADLP C[N@@H+]1CCN(CC[NH2+]Cc2c[nH]cn2)CC1(C)C ZINC000894661582 616242097 /nfs/dbraw/zinc/24/20/97/616242097.db2.gz ZQJWMGYZKVUTIX-UHFFFAOYSA-N 2 2 251.378 0.525 20 0 CCADLP C[N@H+]1CCN(CC[NH2+]Cc2c[nH]cn2)CC1(C)C ZINC000894661582 616242098 /nfs/dbraw/zinc/24/20/98/616242098.db2.gz ZQJWMGYZKVUTIX-UHFFFAOYSA-N 2 2 251.378 0.525 20 0 CCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)COC3CC3)c2)CC1 ZINC000913666109 616247350 /nfs/dbraw/zinc/24/73/50/616247350.db2.gz SPPPACUTCJEZAE-UHFFFAOYSA-N 2 2 290.367 0.951 20 0 CCADLP CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)NCC1([NH+](C)C)CC1 ZINC000922982476 616260846 /nfs/dbraw/zinc/26/08/46/616260846.db2.gz QGPITXUYSYXZOX-LBPRGKRZSA-N 2 2 284.404 0.053 20 0 CCADLP CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)NCC1([NH+](C)C)CC1 ZINC000922982476 616260847 /nfs/dbraw/zinc/26/08/47/616260847.db2.gz QGPITXUYSYXZOX-LBPRGKRZSA-N 2 2 284.404 0.053 20 0 CCADLP C[N@@H+]1CC[C@@H]1CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000925432083 616290235 /nfs/dbraw/zinc/29/02/35/616290235.db2.gz SKXKDVPHQMOSOW-CHWSQXEVSA-N 2 2 277.372 0.761 20 0 CCADLP C[N@H+]1CC[C@@H]1CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000925432083 616290236 /nfs/dbraw/zinc/29/02/36/616290236.db2.gz SKXKDVPHQMOSOW-CHWSQXEVSA-N 2 2 277.372 0.761 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC[C@H]21 ZINC000827287619 616322916 /nfs/dbraw/zinc/32/29/16/616322916.db2.gz LHQZVMSAYXDFMH-UMVBOHGHSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC[C@H]21 ZINC000827287619 616322919 /nfs/dbraw/zinc/32/29/19/616322919.db2.gz LHQZVMSAYXDFMH-UMVBOHGHSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)NCc3ccco3)C[C@@H]2C1 ZINC000931430248 616332530 /nfs/dbraw/zinc/33/25/30/616332530.db2.gz MXXBRWMDXZZLBX-OLZOCXBDSA-N 2 2 277.368 0.779 20 0 CCADLP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)NCc3ccco3)C[C@@H]2C1 ZINC000931430248 616332536 /nfs/dbraw/zinc/33/25/36/616332536.db2.gz MXXBRWMDXZZLBX-OLZOCXBDSA-N 2 2 277.368 0.779 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)NCc3ccco3)C[C@@H]2C1 ZINC000931430248 616332541 /nfs/dbraw/zinc/33/25/41/616332541.db2.gz MXXBRWMDXZZLBX-OLZOCXBDSA-N 2 2 277.368 0.779 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)NCc3ccco3)C[C@@H]2C1 ZINC000931430248 616332547 /nfs/dbraw/zinc/33/25/47/616332547.db2.gz MXXBRWMDXZZLBX-OLZOCXBDSA-N 2 2 277.368 0.779 20 0 CCADLP C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC000908536484 616350776 /nfs/dbraw/zinc/35/07/76/616350776.db2.gz OACPNSKSXWBHND-AWEZNQCLSA-N 2 2 262.357 0.897 20 0 CCADLP C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC000908536484 616350780 /nfs/dbraw/zinc/35/07/80/616350780.db2.gz OACPNSKSXWBHND-AWEZNQCLSA-N 2 2 262.357 0.897 20 0 CCADLP C[N@@H+]1C[C@@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@]2(C)C1 ZINC000933736215 616382711 /nfs/dbraw/zinc/38/27/11/616382711.db2.gz TVRRTEAXEMVETO-RISCZKNCSA-N 2 2 265.357 0.019 20 0 CCADLP C[N@H+]1C[C@@H]2C[NH+](CCN3C(=O)CCC3=O)C[C@]2(C)C1 ZINC000933736215 616382715 /nfs/dbraw/zinc/38/27/15/616382715.db2.gz TVRRTEAXEMVETO-RISCZKNCSA-N 2 2 265.357 0.019 20 0 CCADLP C[NH+]1C[C@@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@]2(C)C1 ZINC000933736215 616382718 /nfs/dbraw/zinc/38/27/18/616382718.db2.gz TVRRTEAXEMVETO-RISCZKNCSA-N 2 2 265.357 0.019 20 0 CCADLP C[NH+]1C[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)C[C@]2(C)C1 ZINC000933736215 616382723 /nfs/dbraw/zinc/38/27/23/616382723.db2.gz TVRRTEAXEMVETO-RISCZKNCSA-N 2 2 265.357 0.019 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@H](C)O1 ZINC000903768708 616393790 /nfs/dbraw/zinc/39/37/90/616393790.db2.gz PVQHWHOSWLPZIA-ABHRYQDASA-N 2 2 298.383 0.017 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@H](C)O1 ZINC000903768708 616393792 /nfs/dbraw/zinc/39/37/92/616393792.db2.gz PVQHWHOSWLPZIA-ABHRYQDASA-N 2 2 298.383 0.017 20 0 CCADLP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000830577624 616450111 /nfs/dbraw/zinc/45/01/11/616450111.db2.gz WEWXJZNPBDDSGX-NEPJUHHUSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000830577624 616450115 /nfs/dbraw/zinc/45/01/15/616450115.db2.gz WEWXJZNPBDDSGX-NEPJUHHUSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CC[NH2+]CC1 ZINC000892615185 616516777 /nfs/dbraw/zinc/51/67/77/616516777.db2.gz OSWCXSLMURJKAK-AWEZNQCLSA-N 2 2 274.368 0.788 20 0 CCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CC[NH2+]CC1 ZINC000892615185 616516781 /nfs/dbraw/zinc/51/67/81/616516781.db2.gz OSWCXSLMURJKAK-AWEZNQCLSA-N 2 2 274.368 0.788 20 0 CCADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CC[C@H]([NH3+])C1 ZINC000892616583 616519006 /nfs/dbraw/zinc/51/90/06/616519006.db2.gz WWRFONGCILCXKQ-GXTWGEPZSA-N 2 2 274.368 0.916 20 0 CCADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)N1CC[C@H]([NH3+])C1 ZINC000892616583 616519008 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283.441 0.440 20 0 CCADLP COCCC[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880249851 616883955 /nfs/dbraw/zinc/88/39/55/616883955.db2.gz IISKEBDMHIFIGM-UHFFFAOYSA-N 2 2 283.416 0.829 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000900191636 616952414 /nfs/dbraw/zinc/95/24/14/616952414.db2.gz GYSFKCCXTGBHGW-UHFFFAOYSA-N 2 2 254.334 0.037 20 0 CCADLP COCC[N@@H+](C)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC000900191636 616952417 /nfs/dbraw/zinc/95/24/17/616952417.db2.gz GYSFKCCXTGBHGW-UHFFFAOYSA-N 2 2 254.334 0.037 20 0 CCADLP C[NH2+]CC[N@H+](C[C@H](O)COC[C@@H]1CCCO1)C(C)C ZINC000923432634 616958160 /nfs/dbraw/zinc/95/81/60/616958160.db2.gz GZZMKMHUDLTODK-KBPBESRZSA-N 2 2 274.405 0.473 20 0 CCADLP C[NH2+]CC[N@@H+](C[C@H](O)COC[C@@H]1CCCO1)C(C)C ZINC000923432634 616958163 /nfs/dbraw/zinc/95/81/63/616958163.db2.gz GZZMKMHUDLTODK-KBPBESRZSA-N 2 2 274.405 0.473 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(c2ncco2)CC1 ZINC000931443768 616967668 /nfs/dbraw/zinc/96/76/68/616967668.db2.gz 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COC[C@H](C)[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000123929651 625559820 /nfs/dbraw/zinc/55/98/20/625559820.db2.gz TUQLWEFEQCYNSB-UONOGXRCSA-N 2 2 285.432 0.752 20 0 CCADLP Cc1[nH+]ccn1CCN1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934260675 622627830 /nfs/dbraw/zinc/62/78/30/622627830.db2.gz ANQWGYQTMIUMAM-LSDHHAIUSA-N 2 2 278.400 0.723 20 0 CCADLP Cc1[nH+]ccn1CCN1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934260675 622627839 /nfs/dbraw/zinc/62/78/39/622627839.db2.gz ANQWGYQTMIUMAM-LSDHHAIUSA-N 2 2 278.400 0.723 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@@H]([NH2+]CCn2cccn2)C1 ZINC001022886548 622833564 /nfs/dbraw/zinc/83/35/64/622833564.db2.gz CUZUNXWZNQZWRC-TXEJJXNPSA-N 2 2 288.355 0.086 20 0 CCADLP Cc1cc(N)nc(NCC[N@@H+]2CCOCC2(C)C)[nH+]1 ZINC000892321513 622851541 /nfs/dbraw/zinc/85/15/41/622851541.db2.gz VJZMCUMSVKOODV-UHFFFAOYSA-N 2 2 265.361 0.890 20 0 CCADLP Cc1cc(N)nc(NCC[N@H+]2CCOCC2(C)C)[nH+]1 ZINC000892321513 622851542 /nfs/dbraw/zinc/85/15/42/622851542.db2.gz 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ZINC001024214362 623266829 /nfs/dbraw/zinc/26/68/29/623266829.db2.gz LYSWGJLMJJIGMT-NSHDSACASA-N 2 2 250.346 0.800 20 0 CCADLP CC(C)[C@@H](CNC(=[NH2+])NC1CC1)[NH+]1CCN(C)CC1 ZINC000052043315 623365617 /nfs/dbraw/zinc/36/56/17/623365617.db2.gz ADDCWPBAHJVAQD-CYBMUJFWSA-N 2 2 267.421 0.535 20 0 CCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)[C@@]1(F)CC[NH2+]C1 ZINC000165266517 623679685 /nfs/dbraw/zinc/67/96/85/623679685.db2.gz UYOYCQDVEDUDRI-CQSZACIVSA-N 2 2 280.347 0.580 20 0 CCADLP Cc1nnc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)s1 ZINC000892925377 623865813 /nfs/dbraw/zinc/86/58/13/623865813.db2.gz CWJJMIKVZREUSW-UHFFFAOYSA-N 2 2 283.401 0.100 20 0 CCADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[C@@H]([NH2+]CCF)C1 ZINC000969125250 624465411 /nfs/dbraw/zinc/46/54/11/624465411.db2.gz YUYKSHLNPWADPC-NWDGAFQWSA-N 2 2 280.347 0.606 20 0 CCADLP FCCn1cc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cn1 ZINC000902448307 634387359 /nfs/dbraw/zinc/38/73/59/634387359.db2.gz YNJWTUFSJUMOOC-ZIAGYGMSSA-N 2 2 282.363 0.709 20 0 CCADLP O=C([C@H]1CCCc2[nH+]c[nH]c21)N1CC[C@@H]([NH2+]CCF)C1 ZINC000969910931 624555371 /nfs/dbraw/zinc/55/53/71/624555371.db2.gz MHLANYMSWMDMCW-MNOVXSKESA-N 2 2 280.347 0.990 20 0 CCADLP Cn1ccnc1C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000970097783 624597462 /nfs/dbraw/zinc/59/74/62/624597462.db2.gz HLEAKVIOTINYLO-LLVKDONJSA-N 2 2 288.355 0.076 20 0 CCADLP COC(=O)[C@]12C[N@H+](CC[NH2+]C(C)(C)C)C[C@H]1COCC2 ZINC000414762265 624633961 /nfs/dbraw/zinc/63/39/61/624633961.db2.gz VSIRZKPHWXNEAJ-SWLSCSKDSA-N 2 2 284.400 0.886 20 0 CCADLP COC(=O)[C@]12C[N@@H+](CC[NH2+]C(C)(C)C)C[C@H]1COCC2 ZINC000414762265 624633964 /nfs/dbraw/zinc/63/39/64/624633964.db2.gz VSIRZKPHWXNEAJ-SWLSCSKDSA-N 2 2 284.400 0.886 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+]CCn2cccn2)C1 ZINC000970339803 624677870 /nfs/dbraw/zinc/67/78/70/624677870.db2.gz GVWYCFIBDHPIOX-GFCCVEGCSA-N 2 2 288.355 0.039 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+]CC2CCC2)C1 ZINC000970340554 624678169 /nfs/dbraw/zinc/67/81/69/624678169.db2.gz BRWWNQQAIOIKGJ-GFCCVEGCSA-N 2 2 262.357 0.943 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000970484664 624692199 /nfs/dbraw/zinc/69/21/99/624692199.db2.gz LSXFASHZJXCPRP-GHMZBOCLSA-N 2 2 280.372 0.259 20 0 CCADLP C[C@@H](CC(=O)N1CC[N@H+](C)[C@@H](C)C1)n1cc[nH+]c1 ZINC000845637431 624752643 /nfs/dbraw/zinc/75/26/43/624752643.db2.gz DZGCKVBLQZDMSA-RYUDHWBXSA-N 2 2 250.346 0.997 20 0 CCADLP C[C@@H](CC(=O)N1CC[N@@H+](C)[C@@H](C)C1)n1cc[nH+]c1 ZINC000845637431 624752647 /nfs/dbraw/zinc/75/26/47/624752647.db2.gz DZGCKVBLQZDMSA-RYUDHWBXSA-N 2 2 250.346 0.997 20 0 CCADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)N2CCc3ccccc32)C1 ZINC000050247823 624803253 /nfs/dbraw/zinc/80/32/53/624803253.db2.gz KPUIJAQKGSADBJ-LBPRGKRZSA-N 2 2 259.353 0.856 20 0 CCADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccccc32)C1 ZINC000050247823 624803254 /nfs/dbraw/zinc/80/32/54/624803254.db2.gz KPUIJAQKGSADBJ-LBPRGKRZSA-N 2 2 259.353 0.856 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000891349187 624821731 /nfs/dbraw/zinc/82/17/31/624821731.db2.gz HVLHRGAMICRYJL-OPFPJEHXSA-N 2 2 296.415 0.372 20 0 CCADLP [NH3+][C@H]1C[C@@H](CNC(=O)NCCCNc2cccc[nH+]2)C1 ZINC000891363108 624833336 /nfs/dbraw/zinc/83/33/36/624833336.db2.gz DQPQXBGMZQGLQX-TXEJJXNPSA-N 2 2 277.372 0.920 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000891472671 624877817 /nfs/dbraw/zinc/87/78/17/624877817.db2.gz OTLLVKWXUCGBMV-NEPJUHHUSA-N 2 2 284.404 0.228 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000891472671 624877818 /nfs/dbraw/zinc/87/78/18/624877818.db2.gz OTLLVKWXUCGBMV-NEPJUHHUSA-N 2 2 284.404 0.228 20 0 CCADLP C[C@@H](NC(=O)N1CCC[C@@H]1C[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000891515305 624881162 /nfs/dbraw/zinc/88/11/62/624881162.db2.gz AMGKZPAZSVDPIO-FRRDWIJNSA-N 2 2 284.404 0.228 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000891682534 624902878 /nfs/dbraw/zinc/90/28/78/624902878.db2.gz WXKIBBCQBCDCHS-ZYHUDNBSSA-N 2 2 273.340 0.965 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N2CC[C@H]([N@H+](C)CCO)C2)c[nH+]1 ZINC000971767605 624906175 /nfs/dbraw/zinc/90/61/75/624906175.db2.gz LPJUQYXTOIUGQL-ZDUSSCGKSA-N 2 2 294.399 0.452 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N2CC[C@H]([N@@H+](C)CCO)C2)c[nH+]1 ZINC000971767605 624906177 /nfs/dbraw/zinc/90/61/77/624906177.db2.gz LPJUQYXTOIUGQL-ZDUSSCGKSA-N 2 2 294.399 0.452 20 0 CCADLP C[NH2+]C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COCCOC ZINC000234366749 624920637 /nfs/dbraw/zinc/92/06/37/624920637.db2.gz VBUXPWBFQSODPZ-QWHCGFSZSA-N 2 2 260.378 0.084 20 0 CCADLP C[NH2+]C[C@@H]1CCCC[N@H+]1C[C@@H](O)COCCOC ZINC000234366749 624920638 /nfs/dbraw/zinc/92/06/38/624920638.db2.gz VBUXPWBFQSODPZ-QWHCGFSZSA-N 2 2 260.378 0.084 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](C[NH2+]Cc2ccon2)C1 ZINC001027139377 625742169 /nfs/dbraw/zinc/74/21/69/625742169.db2.gz HFQZZVVDOHHBGC-NSHDSACASA-N 2 2 289.339 0.579 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](C[NH2+]Cc2ccccn2)C1 ZINC001027140977 625742959 /nfs/dbraw/zinc/74/29/59/625742959.db2.gz RKRMDFIAUDATTK-ZDUSSCGKSA-N 2 2 299.378 0.986 20 0 CCADLP C[C@H]([NH3+])[C@@H]([NH2+]C[C@@H]1COCCN1C)c1ccccc1 ZINC000925720517 625760942 /nfs/dbraw/zinc/76/09/42/625760942.db2.gz YJTBZJMMDNNXIG-NWANDNLSSA-N 2 2 263.385 0.995 20 0 CCADLP C[C@@H](O)C[N@H+](C)[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001027388609 625864582 /nfs/dbraw/zinc/86/45/82/625864582.db2.gz RLEUZQXBROSNBB-CHWSQXEVSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@@H](O)C[N@@H+](C)[C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001027388609 625864584 /nfs/dbraw/zinc/86/45/84/625864584.db2.gz RLEUZQXBROSNBB-CHWSQXEVSA-N 2 2 294.399 0.646 20 0 CCADLP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(c3n[nH]c(=O)[nH]3)CC2)C1 ZINC000903459785 634565783 /nfs/dbraw/zinc/56/57/83/634565783.db2.gz ZVZZVOVGGDAZTO-GXSJLCMTSA-N 2 2 265.361 0.817 20 0 CCADLP [NH3+][C@@H]1CC[C@H](C[N@H+]2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903513010 634592884 /nfs/dbraw/zinc/59/28/84/634592884.db2.gz MYTFXPMFBPOOIO-SGIHWFKDSA-N 3 2 251.296 0.935 20 0 CCADLP [NH3+][C@@H]1CC[C@H](C[N@@H+]2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)C1 ZINC000903513010 634592889 /nfs/dbraw/zinc/59/28/89/634592889.db2.gz MYTFXPMFBPOOIO-SGIHWFKDSA-N 3 2 251.296 0.935 20 0 CCADLP [NH3+]C[C@]12CC[C@H]1CCC[N@@H+]2CCO[C@@H]1CCOC1 ZINC000903804983 634655125 /nfs/dbraw/zinc/65/51/25/634655125.db2.gz KLGHQSUTDUPSDO-MGPQQGTHSA-N 2 2 254.374 0.995 20 0 CCADLP [NH3+]C[C@]12CC[C@H]1CCC[N@H+]2CCO[C@@H]1CCOC1 ZINC000903804983 634655129 /nfs/dbraw/zinc/65/51/29/634655129.db2.gz KLGHQSUTDUPSDO-MGPQQGTHSA-N 2 2 254.374 0.995 20 0 CCADLP O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869938 634671775 /nfs/dbraw/zinc/67/17/75/634671775.db2.gz KZTZPKOLYXFHFK-KKUMJFAQSA-N 2 2 284.400 0.371 20 0 CCADLP O[C@H](COC[C@@H]1CCCO1)C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869938 634671777 /nfs/dbraw/zinc/67/17/77/634671777.db2.gz KZTZPKOLYXFHFK-KKUMJFAQSA-N 2 2 284.400 0.371 20 0 CCADLP C[C@]1(C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)CCC[NH2+]C1 ZINC000904335556 634728371 /nfs/dbraw/zinc/72/83/71/634728371.db2.gz FZGCCHHTPWDRKM-OCCSQVGLSA-N 2 2 251.374 0.683 20 0 CCADLP C[C@]1(C[N@H+]2CCN3C(=O)CC[C@@H]3C2)CCC[NH2+]C1 ZINC000904335556 634728374 /nfs/dbraw/zinc/72/83/74/634728374.db2.gz FZGCCHHTPWDRKM-OCCSQVGLSA-N 2 2 251.374 0.683 20 0 CCADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH2+]CC3)o2)CC[NH2+]1 ZINC000904355261 634734304 /nfs/dbraw/zinc/73/43/04/634734304.db2.gz LYPGMGOEIGVCEL-QWHCGFSZSA-N 3 2 278.400 0.919 20 0 CCADLP CN(C)C(=O)c1cccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000904371747 634736205 /nfs/dbraw/zinc/73/62/05/634736205.db2.gz SHZMPEFDFNEYSI-OAHLLOKOSA-N 2 2 291.395 0.938 20 0 CCADLP CN(C)C(=O)c1cccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000904371747 634736210 /nfs/dbraw/zinc/73/62/10/634736210.db2.gz SHZMPEFDFNEYSI-OAHLLOKOSA-N 2 2 291.395 0.938 20 0 CCADLP O[C@@H](CCC1(O)CCC1)C[NH2+]CCn1cc[nH+]c1 ZINC000905035734 634779588 /nfs/dbraw/zinc/77/95/88/634779588.db2.gz OTBDKYLYKLBKLO-LBPRGKRZSA-N 2 2 253.346 0.529 20 0 CCADLP C[C@H](O)C[N@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027594731 630791229 /nfs/dbraw/zinc/79/12/29/630791229.db2.gz MRMWMNWGWJWZGV-AAEUAGOBSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@H](O)C[N@@H+](C)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027594731 630791233 /nfs/dbraw/zinc/79/12/33/630791233.db2.gz MRMWMNWGWJWZGV-AAEUAGOBSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H](O)C[N@H+](C)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027628966 630814174 /nfs/dbraw/zinc/81/41/74/630814174.db2.gz PBCSBYVEDUARRL-NEPJUHHUSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H](O)C[N@@H+](C)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027628966 630814178 /nfs/dbraw/zinc/81/41/78/630814178.db2.gz PBCSBYVEDUARRL-NEPJUHHUSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@H](O)C[N@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027701509 630859223 /nfs/dbraw/zinc/85/92/23/630859223.db2.gz AIJXBMQNQWEWJM-STQMWFEESA-N 2 2 280.372 0.187 20 0 CCADLP C[C@H](O)C[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027701509 630859226 /nfs/dbraw/zinc/85/92/26/630859226.db2.gz AIJXBMQNQWEWJM-STQMWFEESA-N 2 2 280.372 0.187 20 0 CCADLP C[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000980296679 631012623 /nfs/dbraw/zinc/01/26/23/631012623.db2.gz SSDBAJQPZPZFNH-TZMCWYRMSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000980296679 631012633 /nfs/dbraw/zinc/01/26/33/631012633.db2.gz SSDBAJQPZPZFNH-TZMCWYRMSA-N 2 2 294.399 0.266 20 0 CCADLP O=C1NCCN1CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925776102 631039180 /nfs/dbraw/zinc/03/91/80/631039180.db2.gz CZVUEAFKVINEKW-LLVKDONJSA-N 2 2 252.362 0.276 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC2(C1)CCC[N@@H+](CCCO)C2 ZINC000982036907 631369400 /nfs/dbraw/zinc/36/94/00/631369400.db2.gz SQJOTOFVJSNJEN-UHFFFAOYSA-N 2 2 292.383 0.259 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC2(C1)CCC[N@H+](CCCO)C2 ZINC000982036907 631369409 /nfs/dbraw/zinc/36/94/09/631369409.db2.gz SQJOTOFVJSNJEN-UHFFFAOYSA-N 2 2 292.383 0.259 20 0 CCADLP COC[C@@H](C)[N@@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000982036092 631370329 /nfs/dbraw/zinc/37/03/29/631370329.db2.gz ZGWRWKAUZPCSSO-GFCCVEGCSA-N 2 2 280.372 0.521 20 0 CCADLP COC[C@@H](C)[N@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000982036092 631370336 /nfs/dbraw/zinc/37/03/36/631370336.db2.gz ZGWRWKAUZPCSSO-GFCCVEGCSA-N 2 2 280.372 0.521 20 0 CCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@@]1(C)C[N@H+](CCO)C2 ZINC000982850012 631616177 /nfs/dbraw/zinc/61/61/77/631616177.db2.gz GZXIZVXEWDHODL-GASCZTMLSA-N 2 2 292.383 0.046 20 0 CCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@@]1(C)C[N@@H+](CCO)C2 ZINC000982850012 631616184 /nfs/dbraw/zinc/61/61/84/631616184.db2.gz GZXIZVXEWDHODL-GASCZTMLSA-N 2 2 292.383 0.046 20 0 CCADLP C[C@H]1CCC[N@@H+]1CCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000894310958 631705011 /nfs/dbraw/zinc/70/50/11/631705011.db2.gz XOISXGYSJSPYAK-QWHCGFSZSA-N 2 2 291.399 0.981 20 0 CCADLP C[C@H]1CCC[N@H+]1CCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000894310958 631705017 /nfs/dbraw/zinc/70/50/17/631705017.db2.gz XOISXGYSJSPYAK-QWHCGFSZSA-N 2 2 291.399 0.981 20 0 CCADLP Cc1cc[nH+]c(N)c1CN(CC[NH+](C)C)CC[NH+](C)C ZINC000894765669 631825790 /nfs/dbraw/zinc/82/57/90/631825790.db2.gz KGKJTPAZKYMPDN-UHFFFAOYSA-N 3 2 279.432 0.897 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000969091921 650039886 /nfs/dbraw/zinc/03/98/86/650039886.db2.gz ATKMHMKQGGHDRJ-ZYHUDNBSSA-N 2 2 288.351 0.748 20 0 CCADLP C[C@@H](CC[NH2+]Cc1ccc(S(N)(=O)=O)s1)[NH+](C)C ZINC000895291507 632046508 /nfs/dbraw/zinc/04/65/08/632046508.db2.gz FQBPBCLDHJRLNZ-VIFPVBQESA-N 2 2 291.442 0.825 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000985772403 632638546 /nfs/dbraw/zinc/63/85/46/632638546.db2.gz CUXPBXHCPPALGE-UHFFFAOYSA-N 2 2 294.399 0.268 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000985772403 632638550 /nfs/dbraw/zinc/63/85/50/632638550.db2.gz CUXPBXHCPPALGE-UHFFFAOYSA-N 2 2 294.399 0.268 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)c1cccc2[nH+]ccn21 ZINC000986545476 632769076 /nfs/dbraw/zinc/76/90/76/632769076.db2.gz VRLBHVVVKXCUBE-RYUDHWBXSA-N 2 2 288.351 0.519 20 0 CCADLP CC(C)[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@@H]1C ZINC000987349669 632859910 /nfs/dbraw/zinc/85/99/10/632859910.db2.gz WQQQYDOXWYKOGG-DGCLKSJQSA-N 2 2 264.373 0.950 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCF)CN1C(=O)CCn1cc[nH+]c1 ZINC000989268498 633180201 /nfs/dbraw/zinc/18/02/01/633180201.db2.gz ZLALARHWCZBIIC-NEPJUHHUSA-N 2 2 268.336 0.822 20 0 CCADLP CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC000989680444 633344379 /nfs/dbraw/zinc/34/43/79/633344379.db2.gz ROLVIIFNMMIZEO-QWRGUYRKSA-N 2 2 250.346 0.562 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2[NH+](CCF)CC3)C1 ZINC000990121628 633449109 /nfs/dbraw/zinc/44/91/09/633449109.db2.gz QZKNYJLMZZGVPN-GUTXKFCHSA-N 2 2 299.390 0.400 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2[NH+](CCF)CC3)C1 ZINC000990121628 633449110 /nfs/dbraw/zinc/44/91/10/633449110.db2.gz QZKNYJLMZZGVPN-GUTXKFCHSA-N 2 2 299.390 0.400 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2[N@H+](CCF)CC3)C1 ZINC000990121628 633449113 /nfs/dbraw/zinc/44/91/13/633449113.db2.gz QZKNYJLMZZGVPN-GUTXKFCHSA-N 2 2 299.390 0.400 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@]23CCC[C@H]2[N@@H+](CCF)CC3)C1 ZINC000990121628 633449114 /nfs/dbraw/zinc/44/91/14/633449114.db2.gz QZKNYJLMZZGVPN-GUTXKFCHSA-N 2 2 299.390 0.400 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000906592649 635007590 /nfs/dbraw/zinc/00/75/90/635007590.db2.gz AXEDCAQYCXXTMC-AWEZNQCLSA-N 2 2 297.443 0.776 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[N@@H+](C2CC2)C1 ZINC000908504436 635403181 /nfs/dbraw/zinc/40/31/81/635403181.db2.gz YBHCHFCBJXJYNO-NSHDSACASA-N 2 2 262.357 0.895 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[N@H+](C2CC2)C1 ZINC000908504436 635403192 /nfs/dbraw/zinc/40/31/92/635403192.db2.gz YBHCHFCBJXJYNO-NSHDSACASA-N 2 2 262.357 0.895 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccns2)C1 ZINC001010383855 650213332 /nfs/dbraw/zinc/21/33/32/650213332.db2.gz ZIJJYHGGXYOWAA-AAEUAGOBSA-N 2 2 294.424 0.928 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccns2)C1 ZINC001010383855 650213335 /nfs/dbraw/zinc/21/33/35/650213335.db2.gz ZIJJYHGGXYOWAA-AAEUAGOBSA-N 2 2 294.424 0.928 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccns2)C1 ZINC001010383855 650213339 /nfs/dbraw/zinc/21/33/39/650213339.db2.gz ZIJJYHGGXYOWAA-AAEUAGOBSA-N 2 2 294.424 0.928 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccns2)C1 ZINC001010383855 650213342 /nfs/dbraw/zinc/21/33/42/650213342.db2.gz ZIJJYHGGXYOWAA-AAEUAGOBSA-N 2 2 294.424 0.928 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912915230 636702226 /nfs/dbraw/zinc/70/22/26/636702226.db2.gz DNFQITCOTDPHAP-CYBMUJFWSA-N 2 2 262.357 0.970 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](C)[C@H](CO)C1)[NH+]1CCCCCC1 ZINC000913549198 636844119 /nfs/dbraw/zinc/84/41/19/636844119.db2.gz XSADFUIQRQBSRJ-KBPBESRZSA-N 2 2 283.416 0.386 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](C)[C@H](CO)C1)[NH+]1CCCCCC1 ZINC000913549198 636844122 /nfs/dbraw/zinc/84/41/22/636844122.db2.gz XSADFUIQRQBSRJ-KBPBESRZSA-N 2 2 283.416 0.386 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229092429 637097897 /nfs/dbraw/zinc/09/78/97/637097897.db2.gz ZDSGFBYUEPZEMO-MNOVXSKESA-N 2 2 270.377 0.139 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229092429 637097902 /nfs/dbraw/zinc/09/79/02/637097902.db2.gz ZDSGFBYUEPZEMO-MNOVXSKESA-N 2 2 270.377 0.139 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](CCCO)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001014992130 637284149 /nfs/dbraw/zinc/28/41/49/637284149.db2.gz WDDWSHJFBNLRPI-CHWSQXEVSA-N 2 2 292.383 0.018 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[NH+](CCCCCO)CC1 ZINC000913693615 637410589 /nfs/dbraw/zinc/41/05/89/637410589.db2.gz IYFYEANUMCFOFC-UHFFFAOYSA-N 2 2 294.399 0.567 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@]12CCC[C@@H]1[N@H+](CCO)CC2 ZINC000992443674 637413564 /nfs/dbraw/zinc/41/35/64/637413564.db2.gz GPVDFHFOLOEYRS-ZFWWWQNUSA-N 2 2 292.383 0.366 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@]12CCC[C@@H]1[N@@H+](CCO)CC2 ZINC000992443674 637413571 /nfs/dbraw/zinc/41/35/71/637413571.db2.gz GPVDFHFOLOEYRS-ZFWWWQNUSA-N 2 2 292.383 0.366 20 0 CCADLP C[C@@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)[NH+]1CCOCC1 ZINC000914067427 637500696 /nfs/dbraw/zinc/50/06/96/637500696.db2.gz ROHWTOKIBBZQKA-XQQFMLRXSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@H](CC(=O)N1C[C@@H]([NH2+]CCO)C(C)(C)C1)n1cc[nH+]c1 ZINC000996360181 638816996 /nfs/dbraw/zinc/81/69/96/638816996.db2.gz HYFTYHXVDJVHBR-CHWSQXEVSA-N 2 2 294.399 0.653 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]([NH2+]CCO)C(C)(C)C1 ZINC000996400830 638817416 /nfs/dbraw/zinc/81/74/16/638817416.db2.gz XEOKYVZADSTECB-DGCLKSJQSA-N 2 2 294.399 0.407 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]([NH2+]CCO)C(C)(C)C1 ZINC000996400830 638817418 /nfs/dbraw/zinc/81/74/18/638817418.db2.gz XEOKYVZADSTECB-DGCLKSJQSA-N 2 2 294.399 0.407 20 0 CCADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC([NH2+]CCF)CC1 ZINC000996732250 638830502 /nfs/dbraw/zinc/83/05/02/638830502.db2.gz OUDUXKHVIKYQDK-GFCCVEGCSA-N 2 2 294.374 0.996 20 0 CCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC([NH2+]CCF)CC1 ZINC000996760347 638831600 /nfs/dbraw/zinc/83/16/00/638831600.db2.gz SXIYTSAPFFFKNA-LBPRGKRZSA-N 2 2 294.374 0.996 20 0 CCADLP CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC([NH2+]CCO)C1 ZINC000999007944 638954144 /nfs/dbraw/zinc/95/41/44/638954144.db2.gz UNFRIXFSSWGPRX-PNESKVBLSA-N 2 2 292.383 0.017 20 0 CCADLP CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC([NH2+]CCO)C1 ZINC000999007942 638954359 /nfs/dbraw/zinc/95/43/59/638954359.db2.gz UNFRIXFSSWGPRX-HIFPTAJRSA-N 2 2 292.383 0.017 20 0 CCADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000999505649 638983469 /nfs/dbraw/zinc/98/34/69/638983469.db2.gz XFZYXHDMBOQQOK-GFCCVEGCSA-N 2 2 288.351 0.749 20 0 CCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000999537777 638984904 /nfs/dbraw/zinc/98/49/04/638984904.db2.gz UKGAFYKFJSNHOM-QWHCGFSZSA-N 2 2 292.383 0.018 20 0 CCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC[C@H]([NH2+]CCF)C1 ZINC000999538596 638984936 /nfs/dbraw/zinc/98/49/36/638984936.db2.gz YNIDFFXSMONZBS-OLZOCXBDSA-N 2 2 294.374 0.996 20 0 CCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC[C@H]([NH2+]CCF)C1 ZINC000999537680 638984984 /nfs/dbraw/zinc/98/49/84/638984984.db2.gz TXZFZUCEJLBSEO-STQMWFEESA-N 2 2 294.374 0.996 20 0 CCADLP CC[NH2+]C1CC(N(C)C(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000999625589 638990178 /nfs/dbraw/zinc/99/01/78/638990178.db2.gz HNIUWDRBJUQZSD-UHFFFAOYSA-N 2 2 295.427 0.840 20 0 CCADLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CC([NH2+]CCO)C1 ZINC000999697952 638992307 /nfs/dbraw/zinc/99/23/07/638992307.db2.gz OPBLXHDLFNWFST-UHFFFAOYSA-N 2 2 280.372 0.259 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cccc3[nH]c(=O)oc32)C1 ZINC000921998018 639457947 /nfs/dbraw/zinc/45/79/47/639457947.db2.gz DDLSWPDYPFBEMB-AWEZNQCLSA-N 2 2 277.324 0.690 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cccc3[nH]c(=O)oc32)C1 ZINC000921998018 639457949 /nfs/dbraw/zinc/45/79/49/639457949.db2.gz DDLSWPDYPFBEMB-AWEZNQCLSA-N 2 2 277.324 0.690 20 0 CCADLP CC[C@@H](C[NH+]1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1)OC ZINC001003700593 639596499 /nfs/dbraw/zinc/59/64/99/639596499.db2.gz BYTNKHVSGUYMIF-AWEZNQCLSA-N 2 2 294.399 0.958 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](CCCF)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001015001949 650513182 /nfs/dbraw/zinc/51/31/82/650513182.db2.gz XPZQMNVSPAJJAL-QWHCGFSZSA-N 2 2 294.374 0.996 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](CCCF)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001015001949 650513183 /nfs/dbraw/zinc/51/31/83/650513183.db2.gz XPZQMNVSPAJJAL-QWHCGFSZSA-N 2 2 294.374 0.996 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](CCCO)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001015001306 650513255 /nfs/dbraw/zinc/51/32/55/650513255.db2.gz VAUCTDOJFZFCCB-CHWSQXEVSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](CCCO)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001015001306 650513256 /nfs/dbraw/zinc/51/32/56/650513256.db2.gz VAUCTDOJFZFCCB-CHWSQXEVSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(N[C@H]1CC[N@@H+](CCCF)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001015001948 650513542 /nfs/dbraw/zinc/51/35/42/650513542.db2.gz XPZQMNVSPAJJAL-OLZOCXBDSA-N 2 2 294.374 0.996 20 0 CCADLP O=C(N[C@H]1CC[N@H+](CCCF)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001015001948 650513543 /nfs/dbraw/zinc/51/35/43/650513543.db2.gz XPZQMNVSPAJJAL-OLZOCXBDSA-N 2 2 294.374 0.996 20 0 CCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1CC[NH+]1C ZINC000923201918 640051869 /nfs/dbraw/zinc/05/18/69/640051869.db2.gz WAMLORLJMSDWSH-UONOGXRCSA-N 3 2 299.463 0.262 20 0 CCADLP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1CC[N@@H+]1C ZINC000923201918 640051873 /nfs/dbraw/zinc/05/18/73/640051873.db2.gz WAMLORLJMSDWSH-UONOGXRCSA-N 3 2 299.463 0.262 20 0 CCADLP C[C@@H](C[NH+](C)CCC[NH+](C)C)NC(=O)NC[C@H]1CC[N@H+]1C ZINC000923201918 640051879 /nfs/dbraw/zinc/05/18/79/640051879.db2.gz WAMLORLJMSDWSH-UONOGXRCSA-N 3 2 299.463 0.262 20 0 CCADLP C[C@@H]1CCC[N@H+](C[C@H](O)COC2CCOCC2)[C@@H]1C[NH3+] ZINC000923289326 640072473 /nfs/dbraw/zinc/07/24/73/640072473.db2.gz OTCAMTCVKOPGCT-VNHYZAJKSA-N 2 2 286.416 0.602 20 0 CCADLP C[C@@H]1CCC[N@@H+](C[C@H](O)COC2CCOCC2)[C@@H]1C[NH3+] ZINC000923289326 640072478 /nfs/dbraw/zinc/07/24/78/640072478.db2.gz OTCAMTCVKOPGCT-VNHYZAJKSA-N 2 2 286.416 0.602 20 0 CCADLP C[C@@H]1CCC[N@H+](C[C@@H](O)COC2CCOCC2)[C@H]1C[NH3+] ZINC000923289322 640072743 /nfs/dbraw/zinc/07/27/43/640072743.db2.gz OTCAMTCVKOPGCT-NFAWXSAZSA-N 2 2 286.416 0.602 20 0 CCADLP C[C@@H]1CCC[N@@H+](C[C@@H](O)COC2CCOCC2)[C@H]1C[NH3+] ZINC000923289322 640072751 /nfs/dbraw/zinc/07/27/51/640072751.db2.gz OTCAMTCVKOPGCT-NFAWXSAZSA-N 2 2 286.416 0.602 20 0 CCADLP Cc1nc(N2CC[NH+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)sc1C ZINC000923372375 640105449 /nfs/dbraw/zinc/10/54/49/640105449.db2.gz GNGSXTIDGOUMQX-AVGNSLFASA-N 2 2 296.440 0.733 20 0 CCADLP C[C@H]1C[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@@](C)(C(F)F)O1 ZINC000923400445 640121130 /nfs/dbraw/zinc/12/11/30/640121130.db2.gz YONMEAZUDKAXES-NDCWEZFPSA-N 2 2 264.316 0.582 20 0 CCADLP C[C@H]1C[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C[C@@](C)(C(F)F)O1 ZINC000923400445 640121136 /nfs/dbraw/zinc/12/11/36/640121136.db2.gz YONMEAZUDKAXES-NDCWEZFPSA-N 2 2 264.316 0.582 20 0 CCADLP [NH3+][C@H]1CCCCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923411180 640127715 /nfs/dbraw/zinc/12/77/15/640127715.db2.gz MITGYBZDPBBXFB-STQMWFEESA-N 3 2 253.390 0.568 20 0 CCADLP [NH3+][C@H]1CCCCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923411180 640127722 /nfs/dbraw/zinc/12/77/22/640127722.db2.gz MITGYBZDPBBXFB-STQMWFEESA-N 3 2 253.390 0.568 20 0 CCADLP [NH3+][C@@]1(CO)CCC[N@H+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000923476363 640156268 /nfs/dbraw/zinc/15/62/68/640156268.db2.gz HZFWQFRPTGULKO-HNNXBMFYSA-N 2 2 295.358 0.940 20 0 CCADLP [NH3+][C@@]1(CO)CCC[N@@H+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000923476363 640156271 /nfs/dbraw/zinc/15/62/71/640156271.db2.gz HZFWQFRPTGULKO-HNNXBMFYSA-N 2 2 295.358 0.940 20 0 CCADLP O=C(C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)NCc1ccccn1 ZINC000923517663 640175002 /nfs/dbraw/zinc/17/50/02/640175002.db2.gz NJZSNDDABMGSKB-QWHCGFSZSA-N 2 2 274.368 0.239 20 0 CCADLP O=C(C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)NCc1ccccn1 ZINC000923517663 640175005 /nfs/dbraw/zinc/17/50/05/640175005.db2.gz NJZSNDDABMGSKB-QWHCGFSZSA-N 2 2 274.368 0.239 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1COc2ccccc2[C@@H]1O ZINC000817931508 641279083 /nfs/dbraw/zinc/27/90/83/641279083.db2.gz KYWVDPQXJVOAAI-HLSYRSCKSA-N 2 2 292.379 0.838 20 0 CCADLP Cn1cc([C@@H]2C[N@H+](CCCCCCO)C[C@H]2[NH3+])cn1 ZINC000818339796 641323441 /nfs/dbraw/zinc/32/34/41/641323441.db2.gz DQFJQBSHFPHDMW-UONOGXRCSA-N 2 2 266.389 0.699 20 0 CCADLP Cn1cc([C@@H]2C[N@@H+](CCCCCCO)C[C@H]2[NH3+])cn1 ZINC000818339796 641323444 /nfs/dbraw/zinc/32/34/44/641323444.db2.gz DQFJQBSHFPHDMW-UONOGXRCSA-N 2 2 266.389 0.699 20 0 CCADLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824569321 641832538 /nfs/dbraw/zinc/83/25/38/641832538.db2.gz GXXCBTFXJSLCCL-MFKMUULPSA-N 2 2 290.371 0.440 20 0 CCADLP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)on1 ZINC001016251126 650704854 /nfs/dbraw/zinc/70/48/54/650704854.db2.gz KHCCCWFYJWZQJR-ZDUSSCGKSA-N 2 2 292.383 0.769 20 0 CCADLP Cc1cc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)on1 ZINC001016251126 650704857 /nfs/dbraw/zinc/70/48/57/650704857.db2.gz KHCCCWFYJWZQJR-ZDUSSCGKSA-N 2 2 292.383 0.769 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001016398515 650724888 /nfs/dbraw/zinc/72/48/88/650724888.db2.gz UBFVLJIGKVOLHS-CQSZACIVSA-N 2 2 292.383 0.500 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC001016398515 650724890 /nfs/dbraw/zinc/72/48/90/650724890.db2.gz UBFVLJIGKVOLHS-CQSZACIVSA-N 2 2 292.383 0.500 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000831193633 642326156 /nfs/dbraw/zinc/32/61/56/642326156.db2.gz 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CCADLP O=C(NCCn1cc[nH+]c1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000874433737 646464671 /nfs/dbraw/zinc/46/46/71/646464671.db2.gz PYWJAVYSZHIEJC-AAEUAGOBSA-N 2 2 263.345 0.467 20 0 CCADLP O=C(/C=C/C[NH+]1CCOCC1)NC[C@@H]1CCCC[NH2+]1 ZINC000876513641 646615716 /nfs/dbraw/zinc/61/57/16/646615716.db2.gz GPZLDUKOWVCWQF-LQPUYASZSA-N 2 2 267.373 0.133 20 0 CCADLP O=C([C@@H](F)[C@@H]1CC[NH2+]C1)N1CC[NH+](C2CC2)CC1 ZINC000876718953 646649453 /nfs/dbraw/zinc/64/94/53/646649453.db2.gz ZRSNOWGVVWEBEG-PWSUYJOCSA-N 2 2 255.337 0.241 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876724150 646650731 /nfs/dbraw/zinc/65/07/31/646650731.db2.gz OQICGGPHFZNBJW-GUTXKFCHSA-N 2 2 281.400 0.356 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)Cn1cc[nH+]c1 ZINC000876731523 646652151 /nfs/dbraw/zinc/65/21/51/646652151.db2.gz RWIYRLAOULHDJT-GUBZILKMSA-N 2 2 272.299 0.475 20 0 CCADLP O=C(NCCCCn1cc[nH+]c1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876731930 646653766 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C[C@@H]1C[N@H+](CCN2CC[C@H]3[C@@H]2CCC[NH+]3C)CCO1 ZINC000880136858 647159078 /nfs/dbraw/zinc/15/90/78/647159078.db2.gz UAWYEAMWHBGHOH-ILXRZTDVSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[C@H]3[C@@H]2CCC[NH+]3C)CCO1 ZINC000880136858 647159081 /nfs/dbraw/zinc/15/90/81/647159081.db2.gz UAWYEAMWHBGHOH-ILXRZTDVSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[C@H]3[C@@H]2CCC[N@@H+]3C)CCO1 ZINC000880136858 647159083 /nfs/dbraw/zinc/15/90/83/647159083.db2.gz UAWYEAMWHBGHOH-ILXRZTDVSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[C@H]3[C@@H]2CCC[N@H+]3C)CCO1 ZINC000880136858 647159085 /nfs/dbraw/zinc/15/90/85/647159085.db2.gz UAWYEAMWHBGHOH-ILXRZTDVSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@H](CO)C[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880203230 647168772 /nfs/dbraw/zinc/16/87/72/647168772.db2.gz HMWHBJDTTIRCHM-GXTWGEPZSA-N 2 2 256.390 0.848 20 0 CCADLP C[C@H](CO)C[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880203230 647168774 /nfs/dbraw/zinc/16/87/74/647168774.db2.gz HMWHBJDTTIRCHM-GXTWGEPZSA-N 2 2 256.390 0.848 20 0 CCADLP C[C@@H]1C[N@H+](CCNS(C)(=O)=O)CCN1c1cc[nH+]cc1 ZINC000880261280 647177063 /nfs/dbraw/zinc/17/70/63/647177063.db2.gz IDOZKWWXWHVGBV-GFCCVEGCSA-N 2 2 298.412 0.141 20 0 CCADLP C[C@@H]1C[N@@H+](CCNS(C)(=O)=O)CCN1c1cc[nH+]cc1 ZINC000880261280 647177064 /nfs/dbraw/zinc/17/70/64/647177064.db2.gz IDOZKWWXWHVGBV-GFCCVEGCSA-N 2 2 298.412 0.141 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC2CC[NH2+]CC2)c[nH+]1 ZINC000884005340 647607219 /nfs/dbraw/zinc/60/72/19/647607219.db2.gz CZGWXFIYAABGKL-UHFFFAOYSA-N 2 2 250.346 0.795 20 0 CCADLP O[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1O ZINC000886240825 647928792 /nfs/dbraw/zinc/92/87/92/647928792.db2.gz FJVTVFTWUTXRED-XMQYKBBCSA-N 2 2 273.336 0.846 20 0 CCADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1CC(=O)NC1CC1 ZINC000887131429 648071662 /nfs/dbraw/zinc/07/16/62/648071662.db2.gz XJNMLMLRRBZHFZ-GFCCVEGCSA-N 2 2 274.368 0.871 20 0 CCADLP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1CC(=O)NC1CC1 ZINC000887131429 648071665 /nfs/dbraw/zinc/07/16/65/648071665.db2.gz XJNMLMLRRBZHFZ-GFCCVEGCSA-N 2 2 274.368 0.871 20 0 CCADLP C[C@@H]1C[N@@H+]([C@@H]2CC(=O)NC2=O)CCN1c1cc[nH+]cc1 ZINC000887301378 648088780 /nfs/dbraw/zinc/08/87/80/648088780.db2.gz WSROAMOXVNNRMF-ZYHUDNBSSA-N 2 2 274.324 0.007 20 0 CCADLP C[C@@H]1C[N@H+]([C@@H]2CC(=O)NC2=O)CCN1c1cc[nH+]cc1 ZINC000887301378 648088783 /nfs/dbraw/zinc/08/87/83/648088783.db2.gz WSROAMOXVNNRMF-ZYHUDNBSSA-N 2 2 274.324 0.007 20 0 CCADLP C[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCCC2)N1CC[NH+](C)CC1 ZINC000925497063 648338857 /nfs/dbraw/zinc/33/88/57/648338857.db2.gz TVYHHNOKDLYQGU-GJZGRUSLSA-N 3 2 280.460 0.887 20 0 CCADLP C[C@H]([NH3+])[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccccc1 ZINC000925544423 648442242 /nfs/dbraw/zinc/44/22/42/648442242.db2.gz RDRYHFHEXFUDBG-JSGCOSHPSA-N 2 2 291.395 0.947 20 0 CCADLP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1cccc(-n2cnnn2)c1 ZINC000925783719 648461502 /nfs/dbraw/zinc/46/15/02/648461502.db2.gz DVLYSNOPNPGAHO-JTNHKYCSSA-N 2 2 272.356 0.921 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCc2nnn(C)c2C1 ZINC000925893070 648468830 /nfs/dbraw/zinc/46/88/30/648468830.db2.gz KHOFNIOJTUNAQD-IJLUTSLNSA-N 2 2 279.388 0.029 20 0 CCADLP O[C@H](C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C[C@]1(O)CCOC1 ZINC000929991365 648809939 /nfs/dbraw/zinc/80/99/39/648809939.db2.gz GBGBKAGDTDVXDQ-KCQAQPDRSA-N 2 2 295.383 0.492 20 0 CCADLP O[C@H](C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C[C@]1(O)CCOC1 ZINC000929991365 648809942 /nfs/dbraw/zinc/80/99/42/648809942.db2.gz GBGBKAGDTDVXDQ-KCQAQPDRSA-N 2 2 295.383 0.492 20 0 CCADLP O[C@H](C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C[C@@]1(O)CCOC1 ZINC000929991364 648810319 /nfs/dbraw/zinc/81/03/19/648810319.db2.gz GBGBKAGDTDVXDQ-IPYPFGDCSA-N 2 2 295.383 0.492 20 0 CCADLP O[C@H](C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C[C@@]1(O)CCOC1 ZINC000929991364 648810321 /nfs/dbraw/zinc/81/03/21/648810321.db2.gz GBGBKAGDTDVXDQ-IPYPFGDCSA-N 2 2 295.383 0.492 20 0 CCADLP Cc1ncc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)o1 ZINC000930169415 648834343 /nfs/dbraw/zinc/83/43/43/648834343.db2.gz YBQNHKUHIPONEF-UHFFFAOYSA-N 2 2 295.383 0.642 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)CC[NH2+]C(C)(C)C)CCO1 ZINC000931404089 648986091 /nfs/dbraw/zinc/98/60/91/648986091.db2.gz SQRAQHHRMVOILC-GFCCVEGCSA-N 2 2 271.405 0.602 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)CC[NH2+]C(C)(C)C)CCO1 ZINC000931404089 648986093 /nfs/dbraw/zinc/98/60/93/648986093.db2.gz SQRAQHHRMVOILC-GFCCVEGCSA-N 2 2 271.405 0.602 20 0 CCADLP Nc1cc[nH+]c2c1C[N@H+](CCC(=O)N1CCOCC1)CC2 ZINC000931510890 648998160 /nfs/dbraw/zinc/99/81/60/648998160.db2.gz HPMCJLXDAVWJHE-UHFFFAOYSA-N 2 2 290.367 0.271 20 0 CCADLP Nc1cc[nH+]c2c1C[N@@H+](CCC(=O)N1CCOCC1)CC2 ZINC000931510890 648998163 /nfs/dbraw/zinc/99/81/63/648998163.db2.gz HPMCJLXDAVWJHE-UHFFFAOYSA-N 2 2 290.367 0.271 20 0 CCADLP Cc1[nH]c(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)c(C)[nH+]1 ZINC000931615752 649009189 /nfs/dbraw/zinc/00/91/89/649009189.db2.gz IVGSWOCDEHXXBH-QWHCGFSZSA-N 2 2 264.373 0.667 20 0 CCADLP Cc1[nH]c(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)c(C)[nH+]1 ZINC000931615752 649009193 /nfs/dbraw/zinc/00/91/93/649009193.db2.gz IVGSWOCDEHXXBH-QWHCGFSZSA-N 2 2 264.373 0.667 20 0 CCADLP C[C@H](CN1CCOCC1)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933732713 649140136 /nfs/dbraw/zinc/14/01/36/649140136.db2.gz BDRUEUGFFPIKAJ-QLFBSQMISA-N 2 2 267.417 0.591 20 0 CCADLP C[C@H](CN1CCOCC1)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933732713 649140138 /nfs/dbraw/zinc/14/01/38/649140138.db2.gz BDRUEUGFFPIKAJ-QLFBSQMISA-N 2 2 267.417 0.591 20 0 CCADLP C[C@H](CN1CCOCC1)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933732713 649140139 /nfs/dbraw/zinc/14/01/39/649140139.db2.gz BDRUEUGFFPIKAJ-QLFBSQMISA-N 2 2 267.417 0.591 20 0 CCADLP C[C@H](CN1CCOCC1)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933732713 649140140 /nfs/dbraw/zinc/14/01/40/649140140.db2.gz BDRUEUGFFPIKAJ-QLFBSQMISA-N 2 2 267.417 0.591 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000957900346 649768870 /nfs/dbraw/zinc/76/88/70/649768870.db2.gz SEEVCRZJEJKCJG-AWEZNQCLSA-N 2 2 292.383 0.454 20 0 CCADLP C[C@@H](O)C[NH+]1CCC(NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001230434756 805601898 /nfs/dbraw/zinc/60/18/98/805601898.db2.gz UHTLKMYVDLENQY-CYBMUJFWSA-N 2 2 294.399 0.625 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]C[C@@H]1CCCCO1 ZINC001149130586 790387672 /nfs/dbraw/zinc/38/76/72/790387672.db2.gz PQVWZDNEUYJPJR-LBPRGKRZSA-N 2 2 280.372 0.536 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001266488578 790781269 /nfs/dbraw/zinc/78/12/69/790781269.db2.gz LJYMMFGDXOYQPI-GFCCVEGCSA-N 2 2 264.373 0.953 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001266488578 790781277 /nfs/dbraw/zinc/78/12/77/790781277.db2.gz LJYMMFGDXOYQPI-GFCCVEGCSA-N 2 2 264.373 0.953 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]Cc1cccnc1 ZINC001149131256 790850881 /nfs/dbraw/zinc/85/08/81/790850881.db2.gz XPUFIXUHHGKLID-UHFFFAOYSA-N 2 2 273.340 0.562 20 0 CCADLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc[nH]c3=O)C[C@@H]2C1 ZINC001207004271 790877495 /nfs/dbraw/zinc/87/74/95/790877495.db2.gz YTRZOGSLZSSHAT-UONOGXRCSA-N 2 2 277.368 0.940 20 0 CCADLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc[nH]c3=O)C[C@@H]2C1 ZINC001207004271 790877508 /nfs/dbraw/zinc/87/75/08/790877508.db2.gz YTRZOGSLZSSHAT-UONOGXRCSA-N 2 2 277.368 0.940 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc[nH]c3=O)C[C@@H]2C1 ZINC001207004271 790877518 /nfs/dbraw/zinc/87/75/18/790877518.db2.gz YTRZOGSLZSSHAT-UONOGXRCSA-N 2 2 277.368 0.940 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc[nH]c3=O)C[C@@H]2C1 ZINC001207004271 790877528 /nfs/dbraw/zinc/87/75/28/790877528.db2.gz YTRZOGSLZSSHAT-UONOGXRCSA-N 2 2 277.368 0.940 20 0 CCADLP CO[C@@H](C)C[NH2+]CC1(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001167333610 790909283 /nfs/dbraw/zinc/90/92/83/790909283.db2.gz HKUALQPILBRBRM-LBPRGKRZSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@H](F)CC[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167345918 790932179 /nfs/dbraw/zinc/93/21/79/790932179.db2.gz CXWHXEZVSUGTEE-JTQLQIEISA-N 2 2 256.325 0.796 20 0 CCADLP CO[C@H](C)C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167346335 790933329 /nfs/dbraw/zinc/93/33/29/790933329.db2.gz NLSPUBWMXYJJAG-SNVBAGLBSA-N 2 2 254.334 0.083 20 0 CCADLP CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001167427782 791062434 /nfs/dbraw/zinc/06/24/34/791062434.db2.gz AEMPFXGWZUPNEC-NWDGAFQWSA-N 2 2 295.387 0.065 20 0 CCADLP Cc1noc(C[N@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)n1 ZINC001277594538 805878606 /nfs/dbraw/zinc/87/86/06/805878606.db2.gz HNJAVLVBUXQAOF-QWHCGFSZSA-N 2 2 279.388 0.446 20 0 CCADLP Cc1noc(C[N@@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)n1 ZINC001277594538 805878614 /nfs/dbraw/zinc/87/86/14/805878614.db2.gz HNJAVLVBUXQAOF-QWHCGFSZSA-N 2 2 279.388 0.446 20 0 CCADLP COCCC[NH2+]CCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001266746348 791206281 /nfs/dbraw/zinc/20/62/81/791206281.db2.gz VNWMNIWIUSMPBV-CYBMUJFWSA-N 2 2 294.399 0.530 20 0 CCADLP C[C@@H](O)C[NH2+]CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001266847824 791284494 /nfs/dbraw/zinc/28/44/94/791284494.db2.gz AGIBPBBFTJKOAW-NWDGAFQWSA-N 2 2 268.361 0.263 20 0 CCADLP CC(C)[NH2+][C@@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001266949409 791384065 /nfs/dbraw/zinc/38/40/65/791384065.db2.gz OKQJEKPFLRKLBE-NWDGAFQWSA-N 2 2 264.373 0.948 20 0 CCADLP CN(CC[NH2+]CC1CCOCC1)C(=O)Cc1c[nH+]cn1C ZINC001266988341 791423760 /nfs/dbraw/zinc/42/37/60/791423760.db2.gz ISNVOQYORHXCGU-UHFFFAOYSA-N 2 2 294.399 0.437 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001266994991 791428028 /nfs/dbraw/zinc/42/80/28/791428028.db2.gz DUALOSJHEMWSQC-WDEREUQCSA-N 2 2 254.334 0.012 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CCC1CC1 ZINC001266995627 791429230 /nfs/dbraw/zinc/42/92/30/791429230.db2.gz JHSATDJDHSWPNB-NSHDSACASA-N 2 2 250.346 0.778 20 0 CCADLP C[C@@H](O)CCC[N@H+](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001267224496 791700021 /nfs/dbraw/zinc/70/00/21/791700021.db2.gz FJTOEXJLFLSMRE-LLVKDONJSA-N 2 2 268.361 0.161 20 0 CCADLP C[C@@H](O)CCC[N@@H+](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001267224496 791700024 /nfs/dbraw/zinc/70/00/24/791700024.db2.gz FJTOEXJLFLSMRE-LLVKDONJSA-N 2 2 268.361 0.161 20 0 CCADLP CCC(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001277853153 806237103 /nfs/dbraw/zinc/23/71/03/806237103.db2.gz OWDULYZXNVSAGU-BETUJISGSA-N 2 2 253.390 0.676 20 0 CCADLP CCC(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2CC[NH+](C)C ZINC001277853153 806237105 /nfs/dbraw/zinc/23/71/05/806237105.db2.gz OWDULYZXNVSAGU-BETUJISGSA-N 2 2 253.390 0.676 20 0 CCADLP c1cc2c(cc1C[N@@H+]1CCN[C@]3(CC[NH2+]C3)C1)CC[NH2+]C2 ZINC001235053530 806355823 /nfs/dbraw/zinc/35/58/23/806355823.db2.gz UKYVZLIACIFUQI-KRWDZBQOSA-N 3 2 286.423 0.470 20 0 CCADLP c1cc2c(cc1C[N@H+]1CCN[C@]3(CC[NH2+]C3)C1)CC[NH2+]C2 ZINC001235053530 806355833 /nfs/dbraw/zinc/35/58/33/806355833.db2.gz UKYVZLIACIFUQI-KRWDZBQOSA-N 3 2 286.423 0.470 20 0 CCADLP C([C@H]1COC2(CCCCC2)O1)[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235056308 806360516 /nfs/dbraw/zinc/36/05/16/806360516.db2.gz XMVXALBNHIBRID-LSDHHAIUSA-N 2 2 295.427 0.700 20 0 CCADLP C([C@H]1COC2(CCCCC2)O1)[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235056308 806360522 /nfs/dbraw/zinc/36/05/22/806360522.db2.gz XMVXALBNHIBRID-LSDHHAIUSA-N 2 2 295.427 0.700 20 0 CCADLP Cc1cc(O)cc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1 ZINC001235060315 806361858 /nfs/dbraw/zinc/36/18/58/806361858.db2.gz HJSJMDQAZYWTKL-HNNXBMFYSA-N 2 2 261.369 0.838 20 0 CCADLP Cc1cc(O)cc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1 ZINC001235060315 806361866 /nfs/dbraw/zinc/36/18/66/806361866.db2.gz HJSJMDQAZYWTKL-HNNXBMFYSA-N 2 2 261.369 0.838 20 0 CCADLP C[C@H]([NH3+])C[NH+]1C[C@@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001235544815 806451536 /nfs/dbraw/zinc/45/15/36/806451536.db2.gz JODLBTKOLVOKEF-QJPTWQEYSA-N 2 2 266.414 0.854 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001235659605 806484682 /nfs/dbraw/zinc/48/46/82/806484682.db2.gz HRIBCFVKTBGUQD-YUTCNCBUSA-N 2 2 254.374 0.994 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001235659605 806484687 /nfs/dbraw/zinc/48/46/87/806484687.db2.gz HRIBCFVKTBGUQD-YUTCNCBUSA-N 2 2 254.374 0.994 20 0 CCADLP COC(=O)[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)[C@H]1C ZINC001235891676 806513382 /nfs/dbraw/zinc/51/33/82/806513382.db2.gz HLOMJMHUOOWKCP-SDDRHHMPSA-N 2 2 270.373 0.984 20 0 CCADLP COC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)[C@H]1C ZINC001235891676 806513387 /nfs/dbraw/zinc/51/33/87/806513387.db2.gz HLOMJMHUOOWKCP-SDDRHHMPSA-N 2 2 270.373 0.984 20 0 CCADLP NC(=O)C[NH2+][C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001277981203 806559013 /nfs/dbraw/zinc/55/90/13/806559013.db2.gz IAXXNEFFHWKYRJ-CABCVRRESA-N 3 2 291.399 0.393 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C[C@H]2CCOC(C)(C)C2)C[C@H]1[NH3+] ZINC001236341496 806571296 /nfs/dbraw/zinc/57/12/96/806571296.db2.gz LFIAPFQBWIKVOB-QJPTWQEYSA-N 2 2 270.373 0.624 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C[C@H]2CCOC(C)(C)C2)C[C@H]1[NH3+] ZINC001236341496 806571302 /nfs/dbraw/zinc/57/13/02/806571302.db2.gz LFIAPFQBWIKVOB-QJPTWQEYSA-N 2 2 270.373 0.624 20 0 CCADLP COC(=O)[C@@H]1CN(Cc2ccc3[nH+]ccn3c2)C[C@H]1[NH3+] ZINC001236348219 806578519 /nfs/dbraw/zinc/57/85/19/806578519.db2.gz LWUUTVHVDGFUMJ-VXGBXAGGSA-N 2 2 274.324 0.266 20 0 CCADLP CC(C)OC(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001277986991 806596196 /nfs/dbraw/zinc/59/61/96/806596196.db2.gz JTYLXSQJMPHVMM-KBPBESRZSA-N 2 2 283.416 0.648 20 0 CCADLP CC(C)OC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCN2CC[NH+](C)C ZINC001277986991 806596202 /nfs/dbraw/zinc/59/62/02/806596202.db2.gz JTYLXSQJMPHVMM-KBPBESRZSA-N 2 2 283.416 0.648 20 0 CCADLP CC[C@H](C)CONC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001120623105 798890583 /nfs/dbraw/zinc/89/05/83/798890583.db2.gz GSRWZMOSIDVAQK-NSHDSACASA-N 2 2 272.393 0.686 20 0 CCADLP C[NH2+]C1(C(=O)NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)CCC1 ZINC001122139523 799152227 /nfs/dbraw/zinc/15/22/27/799152227.db2.gz ZIMIRHBUOVZSIF-RYUDHWBXSA-N 2 2 269.389 0.354 20 0 CCADLP C[NH2+]C1(C(=O)NCC[N@H+]2C[C@H](C)OC[C@@H]2C)CCC1 ZINC001122139523 799152233 /nfs/dbraw/zinc/15/22/33/799152233.db2.gz ZIMIRHBUOVZSIF-RYUDHWBXSA-N 2 2 269.389 0.354 20 0 CCADLP C[C@H](C(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1)n1cc[nH+]c1 ZINC001122209109 799169873 /nfs/dbraw/zinc/16/98/73/799169873.db2.gz AVKCZIRIBOVSNG-UTUOFQBUSA-N 2 2 250.346 0.887 20 0 CCADLP COCC1C[NH+](Cc2cnc(N3CC[NH+](C)CC3)s2)C1 ZINC001139320472 799804703 /nfs/dbraw/zinc/80/47/03/799804703.db2.gz YCERCAMFKUIUMD-UHFFFAOYSA-N 2 2 296.440 0.973 20 0 CCADLP C[N@H+]1C[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]2C1 ZINC001139636870 799826955 /nfs/dbraw/zinc/82/69/55/799826955.db2.gz JMAOAKBMUKFTMN-PHIMTYICSA-N 2 2 262.357 0.707 20 0 CCADLP C[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]2C1 ZINC001139636870 799826964 /nfs/dbraw/zinc/82/69/64/799826964.db2.gz JMAOAKBMUKFTMN-PHIMTYICSA-N 2 2 262.357 0.707 20 0 CCADLP NC(=O)COc1ccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC000841033563 800066633 /nfs/dbraw/zinc/06/66/33/800066633.db2.gz VJWCETZDALNMFE-ZDUSSCGKSA-N 2 2 277.368 0.782 20 0 CCADLP Cc1c[nH+]ccc1O[C@@H]1CCN(C(=O)C2C[NH+](C)C2)C1 ZINC001142595572 800136886 /nfs/dbraw/zinc/13/68/86/800136886.db2.gz FEYAVTTZOOJOMS-CYBMUJFWSA-N 2 2 275.352 0.931 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@@H]1C ZINC001278285491 806814815 /nfs/dbraw/zinc/81/48/15/806814815.db2.gz QSFZQAWNMSBZJI-OLZOCXBDSA-N 2 2 294.399 0.578 20 0 CCADLP CCC[N@@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001150597879 800350427 /nfs/dbraw/zinc/35/04/27/800350427.db2.gz WOYKGXUCAZHWRN-AWEZNQCLSA-N 2 2 294.399 0.580 20 0 CCADLP CCC[N@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001150597879 800350435 /nfs/dbraw/zinc/35/04/35/800350435.db2.gz WOYKGXUCAZHWRN-AWEZNQCLSA-N 2 2 294.399 0.580 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C)s1 ZINC001152432132 800521692 /nfs/dbraw/zinc/52/16/92/800521692.db2.gz GKYKFENIOPFUKH-UHFFFAOYSA-N 2 2 285.417 0.393 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)C[N@H+](C)C(C)C)s1 ZINC001152432132 800521694 /nfs/dbraw/zinc/52/16/94/800521694.db2.gz GKYKFENIOPFUKH-UHFFFAOYSA-N 2 2 285.417 0.393 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NCC[NH2+]CCn1cccn1 ZINC001153344883 800624638 /nfs/dbraw/zinc/62/46/38/800624638.db2.gz LWWQMJBQWUDGQF-UHFFFAOYSA-N 2 2 290.371 0.266 20 0 CCADLP CC(C)OCCC[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153500090 800636940 /nfs/dbraw/zinc/63/69/40/800636940.db2.gz FGHMVHWALLGTCT-UHFFFAOYSA-N 2 2 268.361 0.404 20 0 CCADLP N=c1cc(C[NH3+])ncn1C(=O)c1cccc2[nH+]ccn21 ZINC001154525988 800794067 /nfs/dbraw/zinc/79/40/67/800794067.db2.gz GPTSCJABPWBZET-UHFFFAOYSA-N 2 2 268.280 0.157 20 0 CCADLP C[NH+](C)C1(CNc2nccc(C(N)=O)n2)CC[NH+](C)CC1 ZINC001156175754 801121519 /nfs/dbraw/zinc/12/15/19/801121519.db2.gz DFZBENQLLNFQCZ-UHFFFAOYSA-N 2 2 292.387 0.013 20 0 CCADLP Cc1cc(C[NH2+]CCCNC(=O)CCc2[nH]cc[nH+]2)on1 ZINC001157257808 801333713 /nfs/dbraw/zinc/33/37/13/801333713.db2.gz XLWDTUJSYHMKEQ-UHFFFAOYSA-N 2 2 291.355 0.935 20 0 CCADLP Cc1cc(N(C(N)=[NH2+])C(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)n[nH]1 ZINC001157439561 801381884 /nfs/dbraw/zinc/38/18/84/801381884.db2.gz KDHMOATUBQMRDH-CBAPKCEASA-N 2 2 264.333 0.333 20 0 CCADLP CCN(CCn1cc[nH+]c1)c1cc(C2C[NH2+]C2)ncn1 ZINC001157466703 801394207 /nfs/dbraw/zinc/39/42/07/801394207.db2.gz BCVJPRVHLJDVMA-UHFFFAOYSA-N 2 2 272.356 0.886 20 0 CCADLP CCCN(CCOC)C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001157486305 801398580 /nfs/dbraw/zinc/39/85/80/801398580.db2.gz VOPWKXYYDFXESA-WZRBSPASSA-N 2 2 255.362 0.093 20 0 CCADLP C[N@@H+]1CCN(C(=O)C[NH2+]CCC[NH3+])[C@@H](c2ccccc2)C1 ZINC001157508458 801403238 /nfs/dbraw/zinc/40/32/38/801403238.db2.gz VJQANQHIZTYBNW-OAHLLOKOSA-N 3 2 290.411 0.440 20 0 CCADLP C[N@H+]1CCN(C(=O)C[NH2+]CCC[NH3+])[C@@H](c2ccccc2)C1 ZINC001157508458 801403244 /nfs/dbraw/zinc/40/32/44/801403244.db2.gz VJQANQHIZTYBNW-OAHLLOKOSA-N 3 2 290.411 0.440 20 0 CCADLP Cn1ccc(CNc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1=O ZINC001157614812 801433628 /nfs/dbraw/zinc/43/36/28/801433628.db2.gz RUVUGTQAIGFVNY-UHFFFAOYSA-N 2 2 299.378 0.802 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC(F)(C2CC2)C1 ZINC001157702897 801457652 /nfs/dbraw/zinc/45/76/52/801457652.db2.gz FYOOTSOVFTVCOU-SNVBAGLBSA-N 2 2 252.293 0.240 20 0 CCADLP CC(C)(C)C1CCN(C(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)CC1 ZINC001157694219 801457832 /nfs/dbraw/zinc/45/78/32/801457832.db2.gz PNQDXJXRCRJZJU-RYUDHWBXSA-N 2 2 253.390 0.960 20 0 CCADLP C[C@@H]1CN(C(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)CCCO1 ZINC001157703969 801459987 /nfs/dbraw/zinc/45/99/87/801459987.db2.gz UENPHXJMHMDJJD-BXUZGUMPSA-N 2 2 277.368 0.896 20 0 CCADLP C[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@@H]1[NH3+] ZINC001157792949 801486161 /nfs/dbraw/zinc/48/61/61/801486161.db2.gz JLPDSRFXMLKUHB-WOPDTQHZSA-N 2 2 262.357 0.641 20 0 CCADLP [NH3+]C[C@@]1(F)CCN(c2cc(N3CCSCC3)[nH+]cn2)C1 ZINC001157816653 801493803 /nfs/dbraw/zinc/49/38/03/801493803.db2.gz LBLXEZOJMNJWRE-ZDUSSCGKSA-N 2 2 297.403 0.907 20 0 CCADLP [NH3+]C[C@@]1(F)CCN(c2cc(N3CCSCC3)nc[nH+]2)C1 ZINC001157816653 801493808 /nfs/dbraw/zinc/49/38/08/801493808.db2.gz LBLXEZOJMNJWRE-ZDUSSCGKSA-N 2 2 297.403 0.907 20 0 CCADLP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@]1(C)CC(F)(F)C[NH2+]1 ZINC001157843059 801499605 /nfs/dbraw/zinc/49/96/05/801499605.db2.gz ORIPMWGVEGGOQV-JFGNBEQYSA-N 2 2 275.343 0.960 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ncnc3cc[nH]c32)CC1 ZINC001157910339 801516806 /nfs/dbraw/zinc/51/68/06/801516806.db2.gz DOUUZIJLQJZPIK-UHFFFAOYSA-N 2 2 259.317 0.552 20 0 CCADLP COc1cc(NC(=[NH2+])N2CC[NH+](C)CC2)ncn1 ZINC001157910512 801517676 /nfs/dbraw/zinc/51/76/76/801517676.db2.gz IOJYSQDMNDJNKH-UHFFFAOYSA-N 2 2 250.306 0.079 20 0 CCADLP C[C@]1(F)CCN(C(=O)C2([NH3+])CC[NH2+]CC2)C[C@@H]1F ZINC001157926340 801522430 /nfs/dbraw/zinc/52/24/30/801522430.db2.gz OUYZFQWSLXWFEW-ONGXEEELSA-N 2 2 261.316 0.366 20 0 CCADLP [NH3+][C@H](Cc1c[nH]cn1)C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157960884 801540082 /nfs/dbraw/zinc/54/00/82/801540082.db2.gz RUHDLEJQAGHGHT-HUUCEWRRSA-N 2 2 299.378 0.453 20 0 CCADLP [NH3+][C@H](Cc1cnc[nH]1)C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157960884 801540091 /nfs/dbraw/zinc/54/00/91/801540091.db2.gz RUHDLEJQAGHGHT-HUUCEWRRSA-N 2 2 299.378 0.453 20 0 CCADLP CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)C[C@H]([NH3+])[C@@H](C)CC ZINC001157998395 801550031 /nfs/dbraw/zinc/55/00/31/801550031.db2.gz FFZFYQHAEOCINX-SDDRHHMPSA-N 2 2 285.388 0.113 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CC3(C2)CCCO3)cc1 ZINC001158240089 801600778 /nfs/dbraw/zinc/60/07/78/801600778.db2.gz JNWCJEOVDJAKQJ-ZDUSSCGKSA-N 2 2 275.352 0.650 20 0 CCADLP C[N@@H+]1CCO[C@H]2CN(C(=O)C[C@@H]([NH3+])C(C)(C)C)C[C@H]21 ZINC001158804991 801708486 /nfs/dbraw/zinc/70/84/86/801708486.db2.gz XAKXBSHKNCRFAX-GRYCIOLGSA-N 2 2 269.389 0.291 20 0 CCADLP C[N@H+]1CCO[C@H]2CN(C(=O)C[C@@H]([NH3+])C(C)(C)C)C[C@H]21 ZINC001158804991 801708489 /nfs/dbraw/zinc/70/84/89/801708489.db2.gz XAKXBSHKNCRFAX-GRYCIOLGSA-N 2 2 269.389 0.291 20 0 CCADLP CCN(CC)c1cc(N[C@H]([NH3+])CCC[NH3+])nc[nH+]1 ZINC001159786996 801872348 /nfs/dbraw/zinc/87/23/48/801872348.db2.gz PCDIPENKSPXDMC-JTQLQIEISA-N 3 2 252.366 0.758 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCCC1=CC[N@H+](CCO)CC1 ZINC001160330930 801931082 /nfs/dbraw/zinc/93/10/82/801931082.db2.gz OGOVGKGEBZRMCT-UHFFFAOYSA-N 2 2 292.383 0.473 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCCC1=CC[N@@H+](CCO)CC1 ZINC001160330930 801931086 /nfs/dbraw/zinc/93/10/86/801931086.db2.gz OGOVGKGEBZRMCT-UHFFFAOYSA-N 2 2 292.383 0.473 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCCC1=CC[N@H+](CCO)CC1 ZINC001160330930 801931090 /nfs/dbraw/zinc/93/10/90/801931090.db2.gz OGOVGKGEBZRMCT-UHFFFAOYSA-N 2 2 292.383 0.473 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCCC1=CC[N@@H+](CCO)CC1 ZINC001160330930 801931092 /nfs/dbraw/zinc/93/10/92/801931092.db2.gz OGOVGKGEBZRMCT-UHFFFAOYSA-N 2 2 292.383 0.473 20 0 CCADLP CC[NH+](CC)C1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CC1 ZINC001160483225 801948922 /nfs/dbraw/zinc/94/89/22/801948922.db2.gz RFSFYTJLVSSPPH-YPMHNXCESA-N 3 2 268.405 0.008 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCc2ccc(N)cc2C1 ZINC001161074842 802083224 /nfs/dbraw/zinc/08/32/24/802083224.db2.gz FVGZVVKNPXJCFX-HNNXBMFYSA-N 2 2 299.378 0.457 20 0 CCADLP CCCCC[C@H]([NH2+]C)C(=O)N1CC[C@@]([NH3+])(C(=O)OC)C1 ZINC001161139343 802099449 /nfs/dbraw/zinc/09/94/49/802099449.db2.gz RHIMVOIFERRILI-FZMZJTMJSA-N 2 2 285.388 0.258 20 0 CCADLP COc1cc(N2CCN(C(=O)[C@@H]3CC[NH2+]3)CC2)cc[nH+]1 ZINC001161306674 802122194 /nfs/dbraw/zinc/12/21/94/802122194.db2.gz VOUZPHKYNPOOAJ-LBPRGKRZSA-N 2 2 276.340 0.101 20 0 CCADLP COC[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001161310809 802123773 /nfs/dbraw/zinc/12/37/73/802123773.db2.gz YTSADSIYARGKPY-STQMWFEESA-N 2 2 294.399 0.576 20 0 CCADLP COC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001161323372 802126886 /nfs/dbraw/zinc/12/68/86/802126886.db2.gz JQYJDUXORYCSJG-QWHCGFSZSA-N 2 2 294.399 0.576 20 0 CCADLP C[N@H+](C1CN(C(=O)[C@H]([NH3+])c2ccccc2)C1)[C@H]1CCOC1 ZINC001161499461 802165717 /nfs/dbraw/zinc/16/57/17/802165717.db2.gz OLXUDOKZXYMZRE-DZGCQCFKSA-N 2 2 289.379 0.618 20 0 CCADLP C[N@@H+](C1CN(C(=O)[C@H]([NH3+])c2ccccc2)C1)[C@H]1CCOC1 ZINC001161499461 802165721 /nfs/dbraw/zinc/16/57/21/802165721.db2.gz OLXUDOKZXYMZRE-DZGCQCFKSA-N 2 2 289.379 0.618 20 0 CCADLP C[C@@H](O)C[N@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001161990038 802263358 /nfs/dbraw/zinc/26/33/58/802263358.db2.gz YRHZWLOIDPGEIB-CYBMUJFWSA-N 2 2 292.383 0.402 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC=C(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001161990038 802263365 /nfs/dbraw/zinc/26/33/65/802263365.db2.gz YRHZWLOIDPGEIB-CYBMUJFWSA-N 2 2 292.383 0.402 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1cc(N)[nH+]cn1 ZINC001162854355 802429866 /nfs/dbraw/zinc/42/98/66/802429866.db2.gz PSPWYGRKYONYGP-ZETCQYMHSA-N 2 2 253.306 0.140 20 0 CCADLP CC[C@@H](C[NH2+]CCCNC(=O)CCc1[nH+]ccn1C)OC ZINC001163044187 802466504 /nfs/dbraw/zinc/46/65/04/802466504.db2.gz NKEUUEWFJFCVJM-ZDUSSCGKSA-N 2 2 296.415 0.874 20 0 CCADLP COC[C@@H](C)[NH2+]CCCNC(=O)CCc1[nH+]ccn1C ZINC001163051302 802468400 /nfs/dbraw/zinc/46/84/00/802468400.db2.gz VMHBHPWVJYGLEJ-GFCCVEGCSA-N 2 2 282.388 0.484 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]([NH3+])C1CN(c2cc[nH+]c(N)n2)C1 ZINC001163119630 802485521 /nfs/dbraw/zinc/48/55/21/802485521.db2.gz TZOOOBAWROVYCL-JTQLQIEISA-N 2 2 279.344 0.164 20 0 CCADLP C/C=C(\NC=[NH2+])[NH2+]C[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163269390 802526445 /nfs/dbraw/zinc/52/64/45/802526445.db2.gz KAXSOOJOHXFLDU-QBAULCRNSA-N 3 2 252.362 0.793 20 0 CCADLP COCC[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163594015 802573910 /nfs/dbraw/zinc/57/39/10/802573910.db2.gz RDJWSMWUBJKNAC-UHFFFAOYSA-N 2 2 254.334 0.016 20 0 CCADLP CN(CCC[NH+](C)C)c1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001163597226 802575414 /nfs/dbraw/zinc/57/54/14/802575414.db2.gz AFUOVRRYEPUVQX-UHFFFAOYSA-N 3 2 277.416 0.879 20 0 CCADLP Cc1nc(N(CC[NH3+])CCO)c2c([nH+]1)CCCC2 ZINC001163829853 802619783 /nfs/dbraw/zinc/61/97/83/802619783.db2.gz GAFQGEQMWVKDNW-UHFFFAOYSA-N 2 2 250.346 0.421 20 0 CCADLP Cc1cc(N(CC[NH3+])CCO)cc(OC(F)F)[nH+]1 ZINC001163835923 802621716 /nfs/dbraw/zinc/62/17/16/802621716.db2.gz ITVHVGMGLSZERF-UHFFFAOYSA-N 2 2 261.272 0.749 20 0 CCADLP Cc1[nH+]ccn1CCNc1nc(N2CCOCC2)cc[nH+]1 ZINC001163916818 802632128 /nfs/dbraw/zinc/63/21/28/802632128.db2.gz OTHZAQVWGXSQQH-UHFFFAOYSA-N 2 2 288.355 0.930 20 0 CCADLP CC(C)OC[C@@H](O)C[NH+]1CCC([NH+]2CCC2)CC1 ZINC000700378464 809741653 /nfs/dbraw/zinc/74/16/53/809741653.db2.gz PKCUXTZNRHGFNY-AWEZNQCLSA-N 2 2 256.390 0.942 20 0 CCADLP Nc1cc(Cl)[nH+]c(N2CC(=O)NC3(CC[NH2+]CC3)C2)c1 ZINC001165253204 802805587 /nfs/dbraw/zinc/80/55/87/802805587.db2.gz YIDAQNOZXYJMQR-UHFFFAOYSA-N 2 2 295.774 0.376 20 0 CCADLP O=C(NCCC[NH2+]CCCO)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001166403391 802904644 /nfs/dbraw/zinc/90/46/44/802904644.db2.gz XMJKBDNFVHBFNT-NSHDSACASA-N 2 2 280.372 0.308 20 0 CCADLP CCc1[nH]c(CN2CC[NH+](CCCO)CC2)c(C)[nH+]1 ZINC001203236410 803023852 /nfs/dbraw/zinc/02/38/52/803023852.db2.gz LSRQSXNROBGPGI-UHFFFAOYSA-N 2 2 266.389 0.781 20 0 CCADLP CN(CCC[NH2+]Cc1cncs1)C(=O)Cn1cc[nH+]c1 ZINC001276411089 803027485 /nfs/dbraw/zinc/02/74/85/803027485.db2.gz MNWGOWYURDLWTA-UHFFFAOYSA-N 2 2 293.396 0.978 20 0 CCADLP C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1C[C@@H]([NH3+])[C@H](O)C1 ZINC001205346831 803135423 /nfs/dbraw/zinc/13/54/23/803135423.db2.gz FTMRJIBVFAVAMF-RAIGVLPGSA-N 2 2 278.352 0.598 20 0 CCADLP C[C@H](Cc1ccc2c(c1)OCO2)C[N@H+]1C[C@@H]([NH3+])[C@H](O)C1 ZINC001205346831 803135430 /nfs/dbraw/zinc/13/54/30/803135430.db2.gz FTMRJIBVFAVAMF-RAIGVLPGSA-N 2 2 278.352 0.598 20 0 CCADLP CCc1cc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)on1 ZINC001205665435 803153239 /nfs/dbraw/zinc/15/32/39/803153239.db2.gz RGRIXLGMZHCRDG-ZDUSSCGKSA-N 2 2 253.346 0.913 20 0 CCADLP CCc1cc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)on1 ZINC001205665435 803153241 /nfs/dbraw/zinc/15/32/41/803153241.db2.gz RGRIXLGMZHCRDG-ZDUSSCGKSA-N 2 2 253.346 0.913 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2cn3ccncc3n2)C1 ZINC001205683014 803154887 /nfs/dbraw/zinc/15/48/87/803154887.db2.gz WINGQIVTWPJLRK-AWEZNQCLSA-N 2 2 275.356 0.405 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2cn3ccncc3n2)C1 ZINC001205683014 803154890 /nfs/dbraw/zinc/15/48/90/803154890.db2.gz WINGQIVTWPJLRK-AWEZNQCLSA-N 2 2 275.356 0.405 20 0 CCADLP [NH3+][C@@H]1CCN(Cc2c[nH+]cn2Cc2ccccc2)C[C@H]1O ZINC001205953247 803189919 /nfs/dbraw/zinc/18/99/19/803189919.db2.gz QIBOXBHTRANXJH-HZPDHXFCSA-N 2 2 286.379 0.825 20 0 CCADLP CC[C@@H](C)c1nn(C)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205982153 803194285 /nfs/dbraw/zinc/19/42/85/803194285.db2.gz KZYJTHQFQFNLGS-RAIGVLPGSA-N 2 2 266.389 0.828 20 0 CCADLP CC[C@@H](C)c1nn(C)cc1C[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205982153 803194291 /nfs/dbraw/zinc/19/42/91/803194291.db2.gz KZYJTHQFQFNLGS-RAIGVLPGSA-N 2 2 266.389 0.828 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc3c(c2)OC(F)(F)O3)C[C@H]1O ZINC001206476848 803250441 /nfs/dbraw/zinc/25/04/41/803250441.db2.gz VQQRTVWJZKCWOA-VHSXEESVSA-N 2 2 286.278 0.760 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc3c(c2)OC(F)(F)O3)C[C@H]1O ZINC001206476848 803250446 /nfs/dbraw/zinc/25/04/46/803250446.db2.gz VQQRTVWJZKCWOA-VHSXEESVSA-N 2 2 286.278 0.760 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2cnn(Cc3ccccc3)c2)C[C@@H]1O ZINC001206520274 803258357 /nfs/dbraw/zinc/25/83/57/803258357.db2.gz SHLURIQZJQYOQO-HOTGVXAUSA-N 2 2 286.379 0.683 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2cnn(Cc3ccccc3)c2)C[C@@H]1O ZINC001206520274 803258361 /nfs/dbraw/zinc/25/83/61/803258361.db2.gz SHLURIQZJQYOQO-HOTGVXAUSA-N 2 2 286.379 0.683 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2scc3c2OCCO3)C[C@@H]1O ZINC001206525680 803259613 /nfs/dbraw/zinc/25/96/13/803259613.db2.gz YRRQEBUBVVBCOO-IUCAKERBSA-N 2 2 270.354 0.271 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2scc3c2OCCO3)C[C@@H]1O ZINC001206525680 803259618 /nfs/dbraw/zinc/25/96/18/803259618.db2.gz YRRQEBUBVVBCOO-IUCAKERBSA-N 2 2 270.354 0.271 20 0 CCADLP CCOc1ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1F ZINC001206534747 803263439 /nfs/dbraw/zinc/26/34/39/803263439.db2.gz BTKOISKMHBQDIK-AAEUAGOBSA-N 2 2 268.332 0.976 20 0 CCADLP CCOc1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1F ZINC001206534747 803263445 /nfs/dbraw/zinc/26/34/45/803263445.db2.gz BTKOISKMHBQDIK-AAEUAGOBSA-N 2 2 268.332 0.976 20 0 CCADLP COCC[NH2+]CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001206683765 803278545 /nfs/dbraw/zinc/27/85/45/803278545.db2.gz MPVKLVHKPJYGJX-UHFFFAOYSA-N 2 2 280.372 0.427 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207284089 803377923 /nfs/dbraw/zinc/37/79/23/803377923.db2.gz HZFLCOIPMAXXGE-CQSZACIVSA-N 3 2 298.475 0.716 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CC(C)(C)C[NH+](C)C)C1 ZINC001207284089 803377928 /nfs/dbraw/zinc/37/79/28/803377928.db2.gz HZFLCOIPMAXXGE-CQSZACIVSA-N 3 2 298.475 0.716 20 0 CCADLP C[NH+](C)CC(C)(C)C[N@@H+]1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001207282346 803378221 /nfs/dbraw/zinc/37/82/21/803378221.db2.gz JMJPIKVCAVYQJZ-UHFFFAOYSA-N 2 2 280.372 0.834 20 0 CCADLP C[NH+](C)CC(C)(C)C[N@H+]1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001207282346 803378225 /nfs/dbraw/zinc/37/82/25/803378225.db2.gz JMJPIKVCAVYQJZ-UHFFFAOYSA-N 2 2 280.372 0.834 20 0 CCADLP C[N@@H+]1CCC[C@H](C[NH+]2CCN3C(=O)CC[C@@H]3C2)C1 ZINC001208612757 803528347 /nfs/dbraw/zinc/52/83/47/803528347.db2.gz NNUFNNIULUSUSS-QWHCGFSZSA-N 2 2 251.374 0.635 20 0 CCADLP C[N@H+]1CCC[C@H](C[NH+]2CCN3C(=O)CC[C@@H]3C2)C1 ZINC001208612757 803528349 /nfs/dbraw/zinc/52/83/49/803528349.db2.gz NNUFNNIULUSUSS-QWHCGFSZSA-N 2 2 251.374 0.635 20 0 CCADLP C[NH+]1CCC[C@H](C[N@@H+]2CCN3C(=O)CC[C@@H]3C2)C1 ZINC001208612757 803528352 /nfs/dbraw/zinc/52/83/52/803528352.db2.gz NNUFNNIULUSUSS-QWHCGFSZSA-N 2 2 251.374 0.635 20 0 CCADLP C[NH+]1CCC[C@H](C[N@H+]2CCN3C(=O)CC[C@@H]3C2)C1 ZINC001208612757 803528355 /nfs/dbraw/zinc/52/83/55/803528355.db2.gz NNUFNNIULUSUSS-QWHCGFSZSA-N 2 2 251.374 0.635 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@H]([NH2+]CCCO)C1 ZINC001208680450 803536556 /nfs/dbraw/zinc/53/65/56/803536556.db2.gz VHTLJFWOULWNNZ-ZDUSSCGKSA-N 2 2 294.399 0.316 20 0 CCADLP COCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001208985059 803562097 /nfs/dbraw/zinc/56/20/97/803562097.db2.gz MKGQEQSBUBNRLL-HZSPNIEDSA-N 2 2 294.399 0.917 20 0 CCADLP COCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001208985059 803562099 /nfs/dbraw/zinc/56/20/99/803562099.db2.gz MKGQEQSBUBNRLL-HZSPNIEDSA-N 2 2 294.399 0.917 20 0 CCADLP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3cnsc3)C[C@H]21 ZINC001276609429 803565362 /nfs/dbraw/zinc/56/53/62/803565362.db2.gz ZOGDVPMIQUVERB-KGLIPLIRSA-N 2 2 296.440 0.590 20 0 CCADLP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3cnsc3)C[C@H]21 ZINC001276609429 803565367 /nfs/dbraw/zinc/56/53/67/803565367.db2.gz ZOGDVPMIQUVERB-KGLIPLIRSA-N 2 2 296.440 0.590 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001209291785 803588884 /nfs/dbraw/zinc/58/88/84/803588884.db2.gz GFLNLMOQVOGDJK-AWEZNQCLSA-N 2 2 253.390 0.489 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001209291785 803588887 /nfs/dbraw/zinc/58/88/87/803588887.db2.gz GFLNLMOQVOGDJK-AWEZNQCLSA-N 2 2 253.390 0.489 20 0 CCADLP C[N@@H+]1CCN(CC[NH+]2CCOCC2)C2(CCCC2)C1 ZINC001209295698 803590808 /nfs/dbraw/zinc/59/08/08/803590808.db2.gz CCPIUEBKOFAKKG-UHFFFAOYSA-N 2 2 267.417 0.879 20 0 CCADLP C[N@H+]1CCN(CC[NH+]2CCOCC2)C2(CCCC2)C1 ZINC001209295698 803590810 /nfs/dbraw/zinc/59/08/10/803590810.db2.gz CCPIUEBKOFAKKG-UHFFFAOYSA-N 2 2 267.417 0.879 20 0 CCADLP COC(=O)[C@H]1C[N@H+](Cc2c[nH+]ccc2N)CCCO1 ZINC001209733078 803626539 /nfs/dbraw/zinc/62/65/39/803626539.db2.gz PQSFSADLPUOBBP-GFCCVEGCSA-N 2 2 265.313 0.258 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](Cc2c[nH+]ccc2N)CCCO1 ZINC001209733078 803626542 /nfs/dbraw/zinc/62/65/42/803626542.db2.gz PQSFSADLPUOBBP-GFCCVEGCSA-N 2 2 265.313 0.258 20 0 CCADLP C[C@@H](O)CCC[NH2+][C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001210302445 803646535 /nfs/dbraw/zinc/64/65/35/803646535.db2.gz BZEPHZHVJOOZAP-CHWSQXEVSA-N 2 2 294.399 0.694 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1OC ZINC001213596586 803697301 /nfs/dbraw/zinc/69/73/01/803697301.db2.gz GWACBUXAEFTHGP-VXGBXAGGSA-N 2 2 275.368 0.113 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1OC ZINC001213596586 803697302 /nfs/dbraw/zinc/69/73/02/803697302.db2.gz GWACBUXAEFTHGP-VXGBXAGGSA-N 2 2 275.368 0.113 20 0 CCADLP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1[NH2+]CCCO ZINC001216975697 803862444 /nfs/dbraw/zinc/86/24/44/803862444.db2.gz WWRJICIFWMQJGA-ZIAGYGMSSA-N 2 2 294.399 0.482 20 0 CCADLP C[C@H]1C[NH+](CCc2nnc([C@@H]([NH3+])CCC[NH3+])o2)C[C@H](C)O1 ZINC001217698969 803902032 /nfs/dbraw/zinc/90/20/32/803902032.db2.gz IIEBSVVUALIUKC-SRVKXCTJSA-N 3 2 297.403 0.460 20 0 CCADLP CC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1[NH2+]CCCO ZINC001276764234 803925762 /nfs/dbraw/zinc/92/57/62/803925762.db2.gz YQSDRNGVCPIUMV-OLZOCXBDSA-N 2 2 294.399 0.551 20 0 CCADLP [NH3+]CCCC[C@H]([NH3+])C(=O)Nc1cccc2[nH+]ccn21 ZINC001218498183 803964629 /nfs/dbraw/zinc/96/46/29/803964629.db2.gz DCPMIUKTHWRWKM-JTQLQIEISA-N 3 2 261.329 0.729 20 0 CCADLP N[C@]1(C(=O)Nc2cccc3[nH+]ccn32)CCC[NH2+]C1 ZINC001218497974 803964734 /nfs/dbraw/zinc/96/47/34/803964734.db2.gz CAEIWHARWKLHRB-CYBMUJFWSA-N 2 2 259.313 0.354 20 0 CCADLP O=C(Nc1cccc2[nH+]ccn21)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218499025 803966835 /nfs/dbraw/zinc/96/68/35/803966835.db2.gz LNXCGXPQXLMOMO-IAQYHMDHSA-N 3 2 285.351 0.472 20 0 CCADLP CSc1nccc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)n1 ZINC001218510690 803977320 /nfs/dbraw/zinc/97/73/20/803977320.db2.gz XXLKPKPKYYNABA-MRVPVSSYSA-N 2 2 278.341 0.430 20 0 CCADLP Cc1cc2ncc(C)c(NC(=O)C3([NH3+])CC[NH2+]CC3)n2n1 ZINC001218526196 803988352 /nfs/dbraw/zinc/98/83/52/803988352.db2.gz QUNSBNHKRSBKDC-UHFFFAOYSA-N 2 2 288.355 0.366 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1nccnc1C1CC1 ZINC001218536324 803993110 /nfs/dbraw/zinc/99/31/10/803993110.db2.gz XAFCYPWFUOHRFM-NSHDSACASA-N 2 2 286.339 0.596 20 0 CCADLP CCOC(=O)c1cc[nH]c1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218540703 803995012 /nfs/dbraw/zinc/99/50/12/803995012.db2.gz KNPYWYYSYSEVPF-SNVBAGLBSA-N 2 2 291.311 0.423 20 0 CCADLP Cc1nc(Br)ccc1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001218570456 804015771 /nfs/dbraw/zinc/01/57/71/804015771.db2.gz JNZJELNTBCHDBD-YUMQZZPRSA-N 2 2 299.172 0.638 20 0 CCADLP Cc1[nH]nc2ncc(NC(=O)C3([NH3+])CC[NH2+]CC3)cc12 ZINC001218616087 804035856 /nfs/dbraw/zinc/03/58/56/804035856.db2.gz XMRNOHYQECNPGI-UHFFFAOYSA-N 2 2 274.328 0.286 20 0 CCADLP O=C(Nc1cc[nH+]c2c1CCC2)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001218620028 804037177 /nfs/dbraw/zinc/03/71/77/804037177.db2.gz HSSIQSFPSIFPES-KOLCDFICSA-N 2 2 263.316 0.878 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cc(-c2ccncc2)no1 ZINC001218625807 804042512 /nfs/dbraw/zinc/04/25/12/804042512.db2.gz BKRXAPLDWZJCDV-VIFPVBQESA-N 2 2 261.285 0.351 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1n[nH]c2c1CCCC2 ZINC001218629654 804045597 /nfs/dbraw/zinc/04/55/97/804045597.db2.gz AAZDNFZZLGGXGZ-UHFFFAOYSA-N 2 2 277.372 0.569 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2csc(Br)n2)C1 ZINC001218629575 804046482 /nfs/dbraw/zinc/04/64/82/804046482.db2.gz XJPLDNHYYRFLAD-UHNVWZDZSA-N 2 2 291.174 0.533 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cc(-c2ccccn2)no1 ZINC001218637394 804051355 /nfs/dbraw/zinc/05/13/55/804051355.db2.gz VPFKNFQAVMDDKY-JTQLQIEISA-N 2 2 298.306 0.968 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cnc2ccc(O)cc2c1 ZINC001218640009 804055393 /nfs/dbraw/zinc/05/53/93/804055393.db2.gz KVMDVMZCYRAMOT-RYUDHWBXSA-N 2 2 272.308 0.426 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1noc2cnccc21 ZINC001218646606 804058535 /nfs/dbraw/zinc/05/85/35/804058535.db2.gz QLLTVLRNSYOUTR-JTQLQIEISA-N 2 2 286.295 0.465 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2nsc3ncccc23)C1 ZINC001218652346 804062197 /nfs/dbraw/zinc/06/21/97/804062197.db2.gz XCZMTEAKCRNVKU-SVRRBLITSA-N 2 2 263.326 0.319 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccn3cnnc3c2)cc1 ZINC001218659273 804069037 /nfs/dbraw/zinc/06/90/37/804069037.db2.gz PFJRXPPKTQYIRN-CYBMUJFWSA-N 2 2 296.334 0.940 20 0 CCADLP Cn1nncc1NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001218699567 804085193 /nfs/dbraw/zinc/08/51/93/804085193.db2.gz BWDHYRYJXJMQON-JTQLQIEISA-N 2 2 260.301 0.026 20 0 CCADLP CCOC(=O)c1c(NC(=O)[C@@H]([NH3+])CC[NH3+])ccn1CC ZINC001218717313 804094726 /nfs/dbraw/zinc/09/47/26/804094726.db2.gz BOFVSLRANCLTQN-VIFPVBQESA-N 2 2 282.344 0.299 20 0 CCADLP CCN(C)c1ncc(NC(=O)C[NH2+]C2CC[NH2+]CC2)cn1 ZINC001218740437 804102017 /nfs/dbraw/zinc/10/20/17/804102017.db2.gz KSTDNNANTLFFQZ-UHFFFAOYSA-N 2 2 292.387 0.213 20 0 CCADLP [NH3+]CC(=O)N1CCC[C@H]1C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001218787765 804119579 /nfs/dbraw/zinc/11/95/79/804119579.db2.gz JYOJPTRMXSPMGN-NSHDSACASA-N 2 2 287.323 0.223 20 0 CCADLP [NH3+]C1(C(=O)Nc2cnn3cc(F)ccc23)CC[NH2+]CC1 ZINC001218799365 804124568 /nfs/dbraw/zinc/12/45/68/804124568.db2.gz LQWKRUGVKXULAI-UHFFFAOYSA-N 2 2 277.303 0.493 20 0 CCADLP Cc1ccc(CO)cc1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218810964 804129929 /nfs/dbraw/zinc/12/99/29/804129929.db2.gz CWSGVMRPDBDIDD-UHFFFAOYSA-N 2 2 277.368 0.767 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(-n2cccc2)cc1 ZINC001218815414 804131383 /nfs/dbraw/zinc/13/13/83/804131383.db2.gz WTKFYKWAWRFRPK-KBPBESRZSA-N 2 2 270.336 0.963 20 0 CCADLP CN(C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)c1ccccc1N ZINC001218883288 804146109 /nfs/dbraw/zinc/14/61/09/804146109.db2.gz NKIUSLSTPQCDPX-LLVKDONJSA-N 2 2 259.313 0.525 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc2cnncc21 ZINC001218892455 804149265 /nfs/dbraw/zinc/14/92/65/804149265.db2.gz VVZCKAIOYWFHAS-QWRGUYRKSA-N 2 2 257.297 0.115 20 0 CCADLP [NH3+][C@@H]1C[NH2+][C@H](C(=O)Nc2ccc3c(c2)CC[NH2+]CC3)C1 ZINC001218938645 804161342 /nfs/dbraw/zinc/16/13/42/804161342.db2.gz VFJAUOAPYZBLAP-JSGCOSHPSA-N 3 2 274.368 0.003 20 0 CCADLP O=C(Nc1ccc2c(c1)CC[NH2+]CC2)C1(F)C[NH2+]C1 ZINC001218936653 804161607 /nfs/dbraw/zinc/16/16/07/804161607.db2.gz CBKXORSPAOEHFF-UHFFFAOYSA-N 2 2 263.316 0.625 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cccc2[nH]c(=O)ccc12 ZINC001218969312 804168662 /nfs/dbraw/zinc/16/86/62/804168662.db2.gz CFVWVRPPLLVMNF-VIFPVBQESA-N 2 2 260.297 0.555 20 0 CCADLP COC(=O)[C@@H]([NH3+])CC(=O)Nc1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001218997429 804179657 /nfs/dbraw/zinc/17/96/57/804179657.db2.gz ULQFFIIRGFTDNX-YPMHNXCESA-N 2 2 291.351 0.592 20 0 CCADLP C[NH2+]C1(C(=O)NCCCCn2cc[nH+]c2)CCC1 ZINC000311058086 804229189 /nfs/dbraw/zinc/22/91/89/804229189.db2.gz YMUIMXGIWYILNQ-UHFFFAOYSA-N 2 2 250.346 0.922 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc2oc(=O)ccc2c1 ZINC001219390869 804296159 /nfs/dbraw/zinc/29/61/59/804296159.db2.gz DXQFBVIGBUFNIV-JTQLQIEISA-N 2 2 261.281 0.408 20 0 CCADLP CCOC(=O)c1cc(N)cc(NC(=O)[C@@H]([NH3+])CC[NH3+])c1 ZINC001219524227 804336910 /nfs/dbraw/zinc/33/69/10/804336910.db2.gz FHNUQPUBFJCQFV-NSHDSACASA-N 2 2 280.328 0.060 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)[C@@H]2C[NH2+]CC(F)(F)C2)C[NH2+]1 ZINC001219583470 804360274 /nfs/dbraw/zinc/36/02/74/804360274.db2.gz YKNFCTQBATXRTK-GUBZILKMSA-N 2 2 261.316 0.488 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC001219638596 804385712 /nfs/dbraw/zinc/38/57/12/804385712.db2.gz NTMGQSQLILNPNP-RWMBFGLXSA-N 3 2 280.347 0.075 20 0 CCADLP C[C@H]1C[NH2+]C[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001219637657 804386061 /nfs/dbraw/zinc/38/60/61/804386061.db2.gz GCHDHJGKCLZUMQ-VXGBXAGGSA-N 2 2 250.346 0.635 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001219642607 804388672 /nfs/dbraw/zinc/38/86/72/804388672.db2.gz VQDRUPPJOUARAQ-YNEHKIRRSA-N 2 2 276.384 0.807 20 0 CCADLP O=C(NCC[C@H]1C[NH2+]Cc2cccn2C1)C1(F)C[NH2+]C1 ZINC001219787339 804424108 /nfs/dbraw/zinc/42/41/08/804424108.db2.gz ATWKAWBPUAOFET-NSHDSACASA-N 2 2 280.347 0.025 20 0 CCADLP C[NH+](C)CCCCCNC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001219918286 804448266 /nfs/dbraw/zinc/44/82/66/804448266.db2.gz JKYVDHHDYFQLAJ-GFCCVEGCSA-N 3 2 267.377 0.128 20 0 CCADLP Cc1c[nH]c(CCNC(=O)[C@H]2CC[NH2+]C[C@H]2F)[nH+]1 ZINC001219952670 804456946 /nfs/dbraw/zinc/45/69/46/804456946.db2.gz ZPSGDMUZTSAJOB-VHSXEESVSA-N 2 2 254.309 0.324 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@]2(C(C)C)CCC[NH2+]C2)C[NH2+]1 ZINC001219968316 804459998 /nfs/dbraw/zinc/45/99/98/804459998.db2.gz ZOUWKWOEWVOKBQ-TYNCELHUSA-N 2 2 297.399 0.032 20 0 CCADLP CC(C)(CNC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])c1ccccc1 ZINC001219984427 804466019 /nfs/dbraw/zinc/46/60/19/804466019.db2.gz JIABEBIBQOFHFZ-STQMWFEESA-N 2 2 261.369 0.627 20 0 CCADLP C[C@H]([NH3+])c1ncc(C(=O)N[C@H]2CCC[N@H+](C)C2)s1 ZINC001220159679 804521784 /nfs/dbraw/zinc/52/17/84/804521784.db2.gz QQYOGFOUDWPFSJ-IUCAKERBSA-N 2 2 268.386 0.987 20 0 CCADLP C[C@H]([NH3+])c1ncc(C(=O)N[C@H]2CCC[N@@H+](C)C2)s1 ZINC001220159679 804521792 /nfs/dbraw/zinc/52/17/92/804521792.db2.gz QQYOGFOUDWPFSJ-IUCAKERBSA-N 2 2 268.386 0.987 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220158646 804521907 /nfs/dbraw/zinc/52/19/07/804521907.db2.gz CQPGEESXKXDSCW-NJZAAPMLSA-N 3 2 291.399 0.318 20 0 CCADLP C[C@H](NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)c1cncnc1 ZINC001220183823 804530052 /nfs/dbraw/zinc/53/00/52/804530052.db2.gz ZNSPRRGIHLPEGW-IINYFYTJSA-N 2 2 285.351 0.926 20 0 CCADLP COC1CCC(NC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001220220824 804540096 /nfs/dbraw/zinc/54/00/96/804540096.db2.gz GVCNELKUKIEZTG-BBCYWQGDSA-N 2 2 267.373 0.012 20 0 CCADLP CC1(C)C[C@H](NC(=O)C2([NH3+])CC[NH2+]CC2)CCO1 ZINC001220219202 804540499 /nfs/dbraw/zinc/54/04/99/804540499.db2.gz SUFMPAUPYCRCRO-SNVBAGLBSA-N 2 2 255.362 0.141 20 0 CCADLP CC1(C)OCC(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)CO1 ZINC001220270779 804556634 /nfs/dbraw/zinc/55/66/34/804556634.db2.gz FZBATZYMRZOZEJ-ZDUSSCGKSA-N 2 2 293.367 0.526 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])CC(=O)NCc1c[nH+]cn1CCOC ZINC001220274485 804558672 /nfs/dbraw/zinc/55/86/72/804558672.db2.gz DWORQNLSCNEURR-AAEUAGOBSA-N 2 2 282.388 0.909 20 0 CCADLP CCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001220441592 804604228 /nfs/dbraw/zinc/60/42/28/804604228.db2.gz HYWDGWFQOBJDHG-UPJWGTAASA-N 2 2 280.372 0.406 20 0 CCADLP CCC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001220441592 804604234 /nfs/dbraw/zinc/60/42/34/804604234.db2.gz HYWDGWFQOBJDHG-UPJWGTAASA-N 2 2 280.372 0.406 20 0 CCADLP CC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001220441640 804605858 /nfs/dbraw/zinc/60/58/58/804605858.db2.gz JNRDUGIEKCBDQX-UTUOFQBUSA-N 2 2 266.345 0.015 20 0 CCADLP CC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001220441640 804605861 /nfs/dbraw/zinc/60/58/61/804605861.db2.gz JNRDUGIEKCBDQX-UTUOFQBUSA-N 2 2 266.345 0.015 20 0 CCADLP C[C@](CO)(NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)c1ccccc1 ZINC001220711280 804653475 /nfs/dbraw/zinc/65/34/75/804653475.db2.gz NHDAVDRMUXHGBD-DZGCQCFKSA-N 2 2 288.351 0.303 20 0 CCADLP COC1CCC(CCNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CC1 ZINC001220754898 804660708 /nfs/dbraw/zinc/66/07/08/804660708.db2.gz TZDFHQVQFLGJOW-IUNJVKSLSA-N 2 2 295.427 0.920 20 0 CCADLP C[C@H](CNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)CC(C)(C)CC[NH3+] ZINC001220763925 804661856 /nfs/dbraw/zinc/66/18/56/804661856.db2.gz SRYWTJJGAFCHLE-HEHGZKQESA-N 3 2 296.459 0.455 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220775113 804664736 /nfs/dbraw/zinc/66/47/36/804664736.db2.gz JBKHYHJHGOBICX-CFVMTHIKSA-N 3 2 291.399 0.210 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1CNC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220881706 804688370 /nfs/dbraw/zinc/68/83/70/804688370.db2.gz NNVHRFQGGUUNFX-UPJWGTAASA-N 2 2 291.351 0.184 20 0 CCADLP CC1(C)C[C@@H](CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CCO1 ZINC001220953141 804705917 /nfs/dbraw/zinc/70/59/17/804705917.db2.gz MHDRADINZUKTDK-JQWIXIFHSA-N 2 2 280.372 0.601 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H](c1cncc(F)c1)C1CC1 ZINC001221048956 804723818 /nfs/dbraw/zinc/72/38/18/804723818.db2.gz IZWYIMAWIOXEBE-RWMBFGLXSA-N 2 2 278.331 0.335 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](CO)c1ccccc1 ZINC001221378528 804794075 /nfs/dbraw/zinc/79/40/75/804794075.db2.gz WWAQESMHYNIFKV-GXTWGEPZSA-N 2 2 288.351 0.172 20 0 CCADLP O=C(NCCOc1cc[nH+]cc1)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001221393920 804798793 /nfs/dbraw/zinc/79/87/93/804798793.db2.gz ROYRSYAZHGUFDK-NEPJUHHUSA-N 2 2 267.304 0.524 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@H]2CCc3c2cccc3O)C1 ZINC001221395132 804800066 /nfs/dbraw/zinc/80/00/66/804800066.db2.gz NBXJMTUAADIBPY-ZHAHWJHGSA-N 2 2 261.325 0.185 20 0 CCADLP O=C(N[C@@H]1CCc2c1cccc2O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221394947 804801102 /nfs/dbraw/zinc/80/11/02/804801102.db2.gz JJTIQGPHUCAWBW-ZXIHIIQKSA-N 2 2 287.363 0.447 20 0 CCADLP Cc1n[nH]c(C)c1C[NH+]1CC2(CCN2CC[NH+](C)C)C1 ZINC001276823784 804832487 /nfs/dbraw/zinc/83/24/87/804832487.db2.gz ZQUAGNWXDMCUQX-UHFFFAOYSA-N 2 2 277.416 0.848 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222099174 804867483 /nfs/dbraw/zinc/86/74/83/804867483.db2.gz UHUQLUQMRFODJB-QWHCGFSZSA-N 2 2 280.372 0.499 20 0 CCADLP COc1cnc(F)c(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)c1 ZINC001222105212 804871095 /nfs/dbraw/zinc/87/10/95/804871095.db2.gz WFUIYIPYENNHNV-UHFFFAOYSA-N 2 2 294.374 0.757 20 0 CCADLP COc1cnc(F)c(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c1 ZINC001222105212 804871102 /nfs/dbraw/zinc/87/11/02/804871102.db2.gz WFUIYIPYENNHNV-UHFFFAOYSA-N 2 2 294.374 0.757 20 0 CCADLP CC1(C)OCC(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)CO1 ZINC001222492379 804906430 /nfs/dbraw/zinc/90/64/30/804906430.db2.gz VKQIAATXBFWJHD-KBPBESRZSA-N 2 2 283.416 0.411 20 0 CCADLP c1cc(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc2c1C[NH2+]C2 ZINC001222511503 804909422 /nfs/dbraw/zinc/90/94/22/804909422.db2.gz ZAEJTXGTUZPBMQ-IRXDYDNUSA-N 3 2 286.423 0.816 20 0 CCADLP c1cc(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc2c1C[NH2+]C2 ZINC001222511503 804909427 /nfs/dbraw/zinc/90/94/27/804909427.db2.gz ZAEJTXGTUZPBMQ-IRXDYDNUSA-N 3 2 286.423 0.816 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC1CC[NH+](CCO)CC1 ZINC001223981763 804998603 /nfs/dbraw/zinc/99/86/03/804998603.db2.gz VLIXDYQPYKCSOR-UHFFFAOYSA-N 2 2 280.372 0.094 20 0 CCADLP COCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCc2c[nH+]cn2C)C1 ZINC001278417703 807097286 /nfs/dbraw/zinc/09/72/86/807097286.db2.gz WJKQPXVAILRAMU-QWHCGFSZSA-N 2 2 294.399 0.578 20 0 CCADLP Cc1ccc(OC[C@@H](O)C[NH2+]CCC[NH2+]CCC[NH3+])cc1 ZINC001246008768 807114613 /nfs/dbraw/zinc/11/46/13/807114613.db2.gz HDNVRKVNFWDYCI-HNNXBMFYSA-N 3 2 295.427 0.653 20 0 CCADLP O[C@H](COc1ccccc1)C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246025634 807123343 /nfs/dbraw/zinc/12/33/43/807123343.db2.gz LNRASIWQQGMCAV-HOCLYGCPSA-N 2 2 291.395 0.064 20 0 CCADLP O[C@H](COc1ccccc1)C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001246025634 807123349 /nfs/dbraw/zinc/12/33/49/807123349.db2.gz LNRASIWQQGMCAV-HOCLYGCPSA-N 2 2 291.395 0.064 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246032320 807126455 /nfs/dbraw/zinc/12/64/55/807126455.db2.gz KAIDAELOEQOFBU-QWHCGFSZSA-N 3 2 257.422 0.796 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246032320 807126446 /nfs/dbraw/zinc/12/64/46/807126446.db2.gz KAIDAELOEQOFBU-QWHCGFSZSA-N 3 2 257.422 0.796 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)C[C@@H]1C(=O)OC ZINC001246083720 807147170 /nfs/dbraw/zinc/14/71/70/807147170.db2.gz ITEXOHFRJDLNMC-NWBUJAPZSA-N 2 2 298.383 0.457 20 0 CCADLP C1CC2(CC[NH2+]1)CCC([NH2+][C@H]1C[NH2+]CCOC1)CC2 ZINC001246091590 807151060 /nfs/dbraw/zinc/15/10/60/807151060.db2.gz FAQDEBKSYMCIJM-AWEZNQCLSA-N 3 2 267.417 0.877 20 0 CCADLP CCOC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2C[NH2+]CC23CC3)CCN1 ZINC001246135164 807162519 /nfs/dbraw/zinc/16/25/19/807162519.db2.gz STYWACYOSOKMNO-SRVKXCTJSA-N 2 2 267.373 0.012 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N[C@@H]2C[NH2+]Cc3ccsc32)C[NH2+]1 ZINC001246140985 807163619 /nfs/dbraw/zinc/16/36/19/807163619.db2.gz JBSIAKGRBIWDIL-GARJFASQSA-N 2 2 281.381 0.386 20 0 CCADLP C([NH2+][C@H]1CSC2(C[NH2+]C2)C1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246148295 807167289 /nfs/dbraw/zinc/16/72/89/807167289.db2.gz RLRFAHICBMOCQJ-CHWSQXEVSA-N 4 2 296.484 0.298 20 0 CCADLP C[C@H]1CC[C@H]([NH2+]C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)C[NH2+]1 ZINC001246157071 807171438 /nfs/dbraw/zinc/17/14/38/807171438.db2.gz PQJYKNDHJXEUAP-HTVCTNPSSA-N 3 2 253.390 0.341 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H](N[C@@H]2CCCC[C@H]2[NH3+])C[NH2+]1 ZINC001246175771 807177042 /nfs/dbraw/zinc/17/70/42/807177042.db2.gz MVRJHMZABYBHGL-FMCLSXCISA-N 2 2 269.389 0.530 20 0 CCADLP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246240032 807196397 /nfs/dbraw/zinc/19/63/97/807196397.db2.gz ZUBJYFNAQUWKBI-IHRRRGAJSA-N 3 2 266.433 0.543 20 0 CCADLP CC(C)(C)OC(=O)CC[C@H]([NH2+]C1CC[NH2+]CC1)C(N)=O ZINC001246265505 807200856 /nfs/dbraw/zinc/20/08/56/807200856.db2.gz HGEJXTMLGGIFAY-NSHDSACASA-N 2 2 285.388 0.304 20 0 CCADLP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)O1 ZINC001246287307 807209106 /nfs/dbraw/zinc/20/91/06/807209106.db2.gz LUYYTFDELGHERQ-DHGKCCLASA-N 3 2 271.405 0.441 20 0 CCADLP CCCCOC(=O)CC[C@H](C)[NH2+][C@H]1C[NH2+]C[C@H]1CO ZINC001246299994 807213335 /nfs/dbraw/zinc/21/33/35/807213335.db2.gz OKNKFVGKWAULGW-AVGNSLFASA-N 2 2 272.389 0.668 20 0 CCADLP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1C[NH2+]C[C@H]1CO)C2 ZINC001246304073 807215843 /nfs/dbraw/zinc/21/58/43/807215843.db2.gz GSTIORHHEJXQEX-GUTXKFCHSA-N 2 2 262.353 0.332 20 0 CCADLP C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1C[NH2+]C[C@@H]1CO ZINC001246309493 807216595 /nfs/dbraw/zinc/21/65/95/807216595.db2.gz RDKARHUNVDNELJ-QKCSRTOESA-N 2 2 252.333 0.927 20 0 CCADLP CCOC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CCC2(C)C)CCN1 ZINC001246334016 807224701 /nfs/dbraw/zinc/22/47/01/807224701.db2.gz WQPOQHJFXIHNCW-RWMBFGLXSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@H]1CC[C@@H]([NH2+][C@@H]2CCN(c3cnccn3)C2)C[NH2+]1 ZINC001246369556 807236465 /nfs/dbraw/zinc/23/64/65/807236465.db2.gz PYSWOEYVZLTYSJ-YNEHKIRRSA-N 2 2 261.373 0.785 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)CCN1 ZINC001246464439 807257879 /nfs/dbraw/zinc/25/78/79/807257879.db2.gz QLACUOWNTWGDFS-KXNHARMFSA-N 2 2 255.362 0.010 20 0 CCADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)N[C@H]1CCC[NH2+]C1 ZINC001246469562 807259301 /nfs/dbraw/zinc/25/93/01/807259301.db2.gz OKPAOENUQSYVMY-AAEUAGOBSA-N 2 2 280.372 0.236 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H](N[C@H]2CCCC[C@H]2[NH3+])C[NH2+]1 ZINC001246478045 807260360 /nfs/dbraw/zinc/26/03/60/807260360.db2.gz MVRJHMZABYBHGL-KZVDOYCCSA-N 2 2 269.389 0.530 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N[C@@H](C[NH3+])c2cccc(OC)c2)C[NH2+]1 ZINC001246513957 807271026 /nfs/dbraw/zinc/27/10/26/807271026.db2.gz YSZIYIKOJJMXHG-XBFCOCLRSA-N 2 2 293.367 0.188 20 0 CCADLP COC(=O)[C@H]([NH3+])Cc1cn([C@@H]2CC[NH2+][C@@H](C)C2)cn1 ZINC001246521679 807272683 /nfs/dbraw/zinc/27/26/83/807272683.db2.gz IYLCHVBTXQVVCL-MVWJERBFSA-N 2 2 266.345 0.239 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H]([N@@H+]2CCC[C@H]([NH3+])CC2)CN1 ZINC001246542983 807279087 /nfs/dbraw/zinc/27/90/87/807279087.db2.gz QQMKERLQOSFDQF-SGMGOOAPSA-N 2 2 269.389 0.483 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H]([N@H+]2CCC[C@H]([NH3+])CC2)CN1 ZINC001246542983 807279089 /nfs/dbraw/zinc/27/90/89/807279089.db2.gz QQMKERLQOSFDQF-SGMGOOAPSA-N 2 2 269.389 0.483 20 0 CCADLP C[C@@H]1CC([N@@H+]2CCCC[C@@](O)(C[NH3+])C2)C[C@@H](C)[NH2+]1 ZINC001246560004 807287851 /nfs/dbraw/zinc/28/78/51/807287851.db2.gz OQZFHFMSDXMSAE-YRGRVCCFSA-N 3 2 255.406 0.691 20 0 CCADLP C[C@@H]1CC([N@H+]2CCCC[C@@](O)(C[NH3+])C2)C[C@@H](C)[NH2+]1 ZINC001246560004 807287857 /nfs/dbraw/zinc/28/78/57/807287857.db2.gz OQZFHFMSDXMSAE-YRGRVCCFSA-N 3 2 255.406 0.691 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCC[C@@](O)(C[NH3+])C1)C2 ZINC001246558990 807288199 /nfs/dbraw/zinc/28/81/99/807288199.db2.gz MSYJTYRUNUVHQK-LXTVHRRPSA-N 3 2 267.417 0.787 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCC[C@@](O)(C[NH3+])C1)C2 ZINC001246558990 807288203 /nfs/dbraw/zinc/28/82/03/807288203.db2.gz MSYJTYRUNUVHQK-LXTVHRRPSA-N 3 2 267.417 0.787 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCC[C@@](O)(C[NH3+])C1)C2 ZINC001246558990 807288207 /nfs/dbraw/zinc/28/82/07/807288207.db2.gz MSYJTYRUNUVHQK-LXTVHRRPSA-N 3 2 267.417 0.787 20 0 CCADLP C[C@@]1(C[NH3+])CCCC[N@@H+]([C@@H]2CCS(=O)(=O)C2)C1 ZINC001246588255 807307536 /nfs/dbraw/zinc/30/75/36/807307536.db2.gz YHXKRCXULWSQKY-NEPJUHHUSA-N 2 2 260.403 0.624 20 0 CCADLP C[C@@]1(C[NH3+])CCCC[N@H+]([C@@H]2CCS(=O)(=O)C2)C1 ZINC001246588255 807307544 /nfs/dbraw/zinc/30/75/44/807307544.db2.gz YHXKRCXULWSQKY-NEPJUHHUSA-N 2 2 260.403 0.624 20 0 CCADLP CC1(C[NH3+])C[NH+]([C@@H]2CCN[C@@H](C(F)(F)F)C2)C1 ZINC001246599746 807317677 /nfs/dbraw/zinc/31/76/77/807317677.db2.gz QGDAPXZDXNURPL-RKDXNWHRSA-N 2 2 251.296 0.950 20 0 CCADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](C1CCN(c3ncccn3)CC1)C2 ZINC001246661142 807349944 /nfs/dbraw/zinc/34/99/44/807349944.db2.gz UGUXZHHHIKRHIH-SWLSCSKDSA-N 2 2 273.384 0.869 20 0 CCADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](C1CCN(c3ncccn3)CC1)C2 ZINC001246661142 807349952 /nfs/dbraw/zinc/34/99/52/807349952.db2.gz UGUXZHHHIKRHIH-SWLSCSKDSA-N 2 2 273.384 0.869 20 0 CCADLP C[C@@H]1C[C@H]([N@@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)CC[NH2+]1 ZINC001246686349 807355923 /nfs/dbraw/zinc/35/59/23/807355923.db2.gz RSDZZKFOZOMLJP-KJWHEZOQSA-N 3 2 265.401 0.580 20 0 CCADLP C[C@@H]1C[C@H]([N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)CC[NH2+]1 ZINC001246686349 807355930 /nfs/dbraw/zinc/35/59/30/807355930.db2.gz RSDZZKFOZOMLJP-KJWHEZOQSA-N 3 2 265.401 0.580 20 0 CCADLP CC(=O)N1CCO[C@@H]2CC[N@@H+]([C@@H]3CCC[NH2+]C3)CC[C@H]21 ZINC001246693338 807356235 /nfs/dbraw/zinc/35/62/35/807356235.db2.gz JBJLKDNLNFYRJH-RBSFLKMASA-N 2 2 281.400 0.450 20 0 CCADLP CC(=O)N1CCO[C@@H]2CC[N@H+]([C@@H]3CCC[NH2+]C3)CC[C@H]21 ZINC001246693338 807356247 /nfs/dbraw/zinc/35/62/47/807356247.db2.gz JBJLKDNLNFYRJH-RBSFLKMASA-N 2 2 281.400 0.450 20 0 CCADLP COCCN1CC[C@@]2(CCC[N@@H+](C3CC[NH2+]CC3)C2)C1=O ZINC001246721752 807365354 /nfs/dbraw/zinc/36/53/54/807365354.db2.gz PKPPRCSDNAYCRM-MRXNPFEDSA-N 2 2 295.427 0.699 20 0 CCADLP COCCN1CC[C@@]2(CCC[N@H+](C3CC[NH2+]CC3)C2)C1=O ZINC001246721752 807365365 /nfs/dbraw/zinc/36/53/65/807365365.db2.gz PKPPRCSDNAYCRM-MRXNPFEDSA-N 2 2 295.427 0.699 20 0 CCADLP C[C@H]1CC[C@H](N2CC([N@@H+]3CCOC(C)(C)C3)C2)C[NH2+]1 ZINC001246847118 807404684 /nfs/dbraw/zinc/40/46/84/807404684.db2.gz PMTQVXNWVZGKEE-STQMWFEESA-N 2 2 267.417 0.922 20 0 CCADLP C[C@H]1CC[C@H](N2CC([N@H+]3CCOC(C)(C)C3)C2)C[NH2+]1 ZINC001246847118 807404688 /nfs/dbraw/zinc/40/46/88/807404688.db2.gz PMTQVXNWVZGKEE-STQMWFEESA-N 2 2 267.417 0.922 20 0 CCADLP C[C@H]1C[C@@H]([NH+]2CCN(CC[NH+]3CCCC3)CC2)CC[NH2+]1 ZINC001246857835 807408961 /nfs/dbraw/zinc/40/89/61/807408961.db2.gz IPGPRRWPSAIIDX-HOTGVXAUSA-N 3 2 280.460 0.840 20 0 CCADLP C(C[NH+]1CCCC1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246860222 807410826 /nfs/dbraw/zinc/41/08/26/807410826.db2.gz QZBWCCPBADFBHY-SJPCQFCGSA-N 3 2 292.471 0.983 20 0 CCADLP CCOC(=O)[C@H]1C[N@@H+]([C@H]2CCCC[NH2+]C2)CCC12C[NH2+]C2 ZINC001247009143 807453271 /nfs/dbraw/zinc/45/32/71/807453271.db2.gz ONADYNBEAGBVNY-UONOGXRCSA-N 3 2 295.427 0.603 20 0 CCADLP CCOC(=O)[C@H]1C[N@H+]([C@H]2CCCC[NH2+]C2)CCC12C[NH2+]C2 ZINC001247009143 807453274 /nfs/dbraw/zinc/45/32/74/807453274.db2.gz ONADYNBEAGBVNY-UONOGXRCSA-N 3 2 295.427 0.603 20 0 CCADLP CCOc1ccccc1-c1noc(C[C@@H]([NH3+])C[NH3+])n1 ZINC001249129333 807544852 /nfs/dbraw/zinc/54/48/52/807544852.db2.gz KZZCLCQBYIFFBJ-SECBINFHSA-N 2 2 262.313 0.964 20 0 CCADLP C[N@H+](CCN1CC[NH+](C)CC1)C[C@H](O)C(F)(F)F ZINC001250976362 807629007 /nfs/dbraw/zinc/62/90/07/807629007.db2.gz NVEVTFQCLINFFA-JTQLQIEISA-N 2 2 269.311 0.089 20 0 CCADLP O[C@H](C[NH2+]CCc1[nH]cc[nH+]1)COc1ccccc1 ZINC001251234530 807675114 /nfs/dbraw/zinc/67/51/14/807675114.db2.gz AHZWFOVNPKJOCO-GFCCVEGCSA-N 2 2 261.325 0.982 20 0 CCADLP CCOC[C@@H](O)CNc1[nH+]cccc1N1CC[NH+](C)CC1 ZINC001252020970 807762929 /nfs/dbraw/zinc/76/29/29/807762929.db2.gz IMQOBYDDZGMHHE-ZDUSSCGKSA-N 2 2 294.399 0.643 20 0 CCADLP COC(=O)[C@H](O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001252428516 807842951 /nfs/dbraw/zinc/84/29/51/807842951.db2.gz RBVNAFIYAMBROD-VXGBXAGGSA-N 2 2 266.297 0.069 20 0 CCADLP COC(=O)[C@H](O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001252428516 807842957 /nfs/dbraw/zinc/84/29/57/807842957.db2.gz RBVNAFIYAMBROD-VXGBXAGGSA-N 2 2 266.297 0.069 20 0 CCADLP COC(=O)[C@@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001252436024 807850961 /nfs/dbraw/zinc/85/09/61/807850961.db2.gz FVTVKNDTDPRZAE-ZDUSSCGKSA-N 2 2 275.308 0.496 20 0 CCADLP CCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](C2CCOCC2)C1 ZINC001252806302 807962489 /nfs/dbraw/zinc/96/24/89/807962489.db2.gz SHQDOOZSEVQOFP-JSGCOSHPSA-N 2 2 256.390 0.990 20 0 CCADLP CCC[C@H](O)C[NH2+][C@H]1CC[N@H+](C2CCOCC2)C1 ZINC001252806302 807962492 /nfs/dbraw/zinc/96/24/92/807962492.db2.gz SHQDOOZSEVQOFP-JSGCOSHPSA-N 2 2 256.390 0.990 20 0 CCADLP O=C1C[C@@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CO1 ZINC001252946043 807988014 /nfs/dbraw/zinc/98/80/14/807988014.db2.gz MWDSUAUGYVFRHY-GDBMZVCRSA-N 2 2 290.363 0.529 20 0 CCADLP O=C1C[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CO1 ZINC001252946043 807988019 /nfs/dbraw/zinc/98/80/19/807988019.db2.gz MWDSUAUGYVFRHY-GDBMZVCRSA-N 2 2 290.363 0.529 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC001253187084 808021744 /nfs/dbraw/zinc/02/17/44/808021744.db2.gz BRNMLMORDAGXID-UONOGXRCSA-N 2 2 281.404 0.618 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC001253187084 808021756 /nfs/dbraw/zinc/02/17/56/808021756.db2.gz BRNMLMORDAGXID-UONOGXRCSA-N 2 2 281.404 0.618 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@H+](CC)CCn1cccn1 ZINC001253188337 808024027 /nfs/dbraw/zinc/02/40/27/808024027.db2.gz VZALRRRCTCLPGA-CQSZACIVSA-N 2 2 268.405 0.908 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+](CC)CCn1cccn1 ZINC001253188337 808024035 /nfs/dbraw/zinc/02/40/35/808024035.db2.gz VZALRRRCTCLPGA-CQSZACIVSA-N 2 2 268.405 0.908 20 0 CCADLP CC[NH+](CC)C[C@H](O)CN1CC([N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001253192679 808026198 /nfs/dbraw/zinc/02/61/98/808026198.db2.gz WREXBURTXZSJLT-LZWOXQAQSA-N 2 2 299.459 0.483 20 0 CCADLP CC[NH+](CC)C[C@H](O)CN1CC([N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001253192679 808026206 /nfs/dbraw/zinc/02/62/06/808026206.db2.gz WREXBURTXZSJLT-LZWOXQAQSA-N 2 2 299.459 0.483 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+]Cc1ccc[nH]c1=O ZINC001253209524 808033665 /nfs/dbraw/zinc/03/36/65/808033665.db2.gz GCOWZSUVFUHQIK-LBPRGKRZSA-N 2 2 253.346 0.580 20 0 CCADLP Cn1c[nH+]c2c1CCN(C[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001253393979 808054855 /nfs/dbraw/zinc/05/48/55/808054855.db2.gz AUFCGVLSEMZMCD-LLVKDONJSA-N 2 2 266.389 0.527 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]Cc1ccccc1C(N)=O ZINC001253403315 808058253 /nfs/dbraw/zinc/05/82/53/808058253.db2.gz DQBLOKNDTFSWAS-LBPRGKRZSA-N 2 2 279.384 0.624 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC001253406757 808061371 /nfs/dbraw/zinc/06/13/71/808061371.db2.gz VMGXBTCSVVGSQI-NSHDSACASA-N 2 2 292.445 0.292 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]CCCc1[nH]cc[nH+]1 ZINC001253412252 808064662 /nfs/dbraw/zinc/06/46/62/808064662.db2.gz CZXXVYKNQAWPAH-NSHDSACASA-N 3 2 254.378 0.681 20 0 CCADLP CCCCC[C@H](O)C[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001253540913 808078231 /nfs/dbraw/zinc/07/82/31/808078231.db2.gz IQWAFEWBYCEVCG-HNNXBMFYSA-N 2 2 269.433 0.859 20 0 CCADLP C[NH+]1CC2(C1)CC[NH+]([C@@H]1CCS(=O)(=O)C1)CC2 ZINC001254338338 808216366 /nfs/dbraw/zinc/21/63/66/808216366.db2.gz AEYYAQOVOTWBDA-LLVKDONJSA-N 2 2 258.387 0.201 20 0 CCADLP CC(C)(C)OC(=O)N1C[C@@H]([NH2+][C@@H]2CCCOC2)[C@@H]([NH3+])C1 ZINC001254364104 808223021 /nfs/dbraw/zinc/22/30/21/808223021.db2.gz OEHISBGCLIHSKN-GRYCIOLGSA-N 2 2 285.388 0.702 20 0 CCADLP CCOC(=O)C[NH+]1CCC(N2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001254411558 808236847 /nfs/dbraw/zinc/23/68/47/808236847.db2.gz PXHJSQPITBSWJN-GASCZTMLSA-N 2 2 295.427 0.792 20 0 CCADLP C[N@@H+]1CCC[C@H]([NH+]2Cc3ccnn3CC[C@@H]2CO)CC1 ZINC001254531782 808255909 /nfs/dbraw/zinc/25/59/09/808255909.db2.gz LWYUUXMUMZWRAL-DZGCQCFKSA-N 2 2 278.400 0.934 20 0 CCADLP C[N@H+]1CCC[C@H]([NH+]2Cc3ccnn3CC[C@@H]2CO)CC1 ZINC001254531782 808255913 /nfs/dbraw/zinc/25/59/13/808255913.db2.gz LWYUUXMUMZWRAL-DZGCQCFKSA-N 2 2 278.400 0.934 20 0 CCADLP C[NH+]1CCC[C@H]([N@@H+]2Cc3ccnn3CC[C@@H]2CO)CC1 ZINC001254531782 808255919 /nfs/dbraw/zinc/25/59/19/808255919.db2.gz LWYUUXMUMZWRAL-DZGCQCFKSA-N 2 2 278.400 0.934 20 0 CCADLP C[NH+]1CCC[C@H]([N@H+]2Cc3ccnn3CC[C@@H]2CO)CC1 ZINC001254531782 808255920 /nfs/dbraw/zinc/25/59/20/808255920.db2.gz LWYUUXMUMZWRAL-DZGCQCFKSA-N 2 2 278.400 0.934 20 0 CCADLP C[N@@H+]1CC[C@H](N2CCc3onc(Cn4cc[nH+]c4)c3C2)C1 ZINC001255430061 808363633 /nfs/dbraw/zinc/36/36/33/808363633.db2.gz VVHKBKGFXBNTJX-LBPRGKRZSA-N 2 2 287.367 0.982 20 0 CCADLP C[N@H+]1CC[C@H](N2CCc3onc(Cn4cc[nH+]c4)c3C2)C1 ZINC001255430061 808363641 /nfs/dbraw/zinc/36/36/41/808363641.db2.gz VVHKBKGFXBNTJX-LBPRGKRZSA-N 2 2 287.367 0.982 20 0 CCADLP COc1cc(N2CCN([C@@H]3CC[N@H+](C)C3)CC2)cc[nH+]1 ZINC001255442616 808373074 /nfs/dbraw/zinc/37/30/74/808373074.db2.gz ZGXZBJVLCJYDDW-CQSZACIVSA-N 2 2 276.384 0.916 20 0 CCADLP COc1cc(N2CCN([C@@H]3CC[N@@H+](C)C3)CC2)cc[nH+]1 ZINC001255442616 808373082 /nfs/dbraw/zinc/37/30/82/808373082.db2.gz ZGXZBJVLCJYDDW-CQSZACIVSA-N 2 2 276.384 0.916 20 0 CCADLP CN1CCC[C@@H]([N@H+](C)CCN2CC[NH+](C)CC2)C1 ZINC001255489424 808390124 /nfs/dbraw/zinc/39/01/24/808390124.db2.gz OCGXKJXDOTXVFZ-CQSZACIVSA-N 2 2 254.422 0.260 20 0 CCADLP CN1CCC[C@@H]([N@@H+](C)CCN2CC[NH+](C)CC2)C1 ZINC001255489424 808390129 /nfs/dbraw/zinc/39/01/29/808390129.db2.gz OCGXKJXDOTXVFZ-CQSZACIVSA-N 2 2 254.422 0.260 20 0 CCADLP C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@@]1(C)CCC[N@H+](C)C1 ZINC001256333176 808499555 /nfs/dbraw/zinc/49/95/55/808499555.db2.gz BXAOQVXFLKPHGD-ZFWWWQNUSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@@]1(C)CCC[N@@H+](C)C1 ZINC001256333176 808499559 /nfs/dbraw/zinc/49/95/59/808499559.db2.gz BXAOQVXFLKPHGD-ZFWWWQNUSA-N 2 2 283.416 0.698 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)CCN1C ZINC001256629378 808543143 /nfs/dbraw/zinc/54/31/43/808543143.db2.gz CLRXFPHVIVCEQA-QNMSZWNNSA-N 2 2 281.400 0.401 20 0 CCADLP COC(=O)[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)CCN1C ZINC001256629378 808543150 /nfs/dbraw/zinc/54/31/50/808543150.db2.gz CLRXFPHVIVCEQA-QNMSZWNNSA-N 2 2 281.400 0.401 20 0 CCADLP COC(=O)[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCN1C ZINC001256629378 808543153 /nfs/dbraw/zinc/54/31/53/808543153.db2.gz CLRXFPHVIVCEQA-QNMSZWNNSA-N 2 2 281.400 0.401 20 0 CCADLP COC(=O)[C@H]1C[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCN1C ZINC001256629378 808543160 /nfs/dbraw/zinc/54/31/60/808543160.db2.gz CLRXFPHVIVCEQA-QNMSZWNNSA-N 2 2 281.400 0.401 20 0 CCADLP CCOC(=O)C[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256682729 808548748 /nfs/dbraw/zinc/54/87/48/808548748.db2.gz NYAARGSXQHMAAZ-UHFFFAOYSA-N 2 2 270.373 0.783 20 0 CCADLP CCCCOC(=O)CC[C@H](C)[NH2+][C@@H]1COC[C@H]1[NH3+] ZINC001257378318 808612400 /nfs/dbraw/zinc/61/24/00/808612400.db2.gz JCNKPTHUYCZNFG-QJPTWQEYSA-N 2 2 258.362 0.814 20 0 CCADLP CCC[NH+]1CCC([NH2+]C2CN(C3COC3)C2)CC1 ZINC001258770028 808701319 /nfs/dbraw/zinc/70/13/19/808701319.db2.gz BRMLVDYOVIUUIN-UHFFFAOYSA-N 2 2 253.390 0.533 20 0 CCADLP C[NH+](C)CCCCC(=O)N1CCn2c[nH+]cc2C1 ZINC001261222409 808931126 /nfs/dbraw/zinc/93/11/26/808931126.db2.gz IEXZYYHUWQDIJU-UHFFFAOYSA-N 2 2 250.346 0.957 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001262553891 809339517 /nfs/dbraw/zinc/33/95/17/809339517.db2.gz NHZPOKZCIGTKRX-GHMZBOCLSA-N 2 2 250.346 0.417 20 0 CCADLP C[C@H]1CC[C@@H](NC(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC001262580618 809355925 /nfs/dbraw/zinc/35/59/25/809355925.db2.gz VQSUUTXJFUKIQB-WCQYABFASA-N 2 2 268.405 0.897 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001263133889 809456171 /nfs/dbraw/zinc/45/61/71/809456171.db2.gz HFZJSEGAFYAOOD-LNFKQOIKSA-N 2 2 250.346 0.766 20 0 CCADLP CC1(C)CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[NH2+]C1 ZINC001263171564 809470277 /nfs/dbraw/zinc/47/02/77/809470277.db2.gz VITUVVAHXFUVOF-JTQLQIEISA-N 2 2 250.346 0.847 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)CCc1[nH+]ccn1C ZINC001263730942 809558591 /nfs/dbraw/zinc/55/85/91/809558591.db2.gz PATWSHBPNVLEOZ-LLVKDONJSA-N 2 2 252.362 0.809 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)CCc1[nH+]ccn1C ZINC001263772372 809567549 /nfs/dbraw/zinc/56/75/49/809567549.db2.gz KMTYVKOSTJCZGV-VXGBXAGGSA-N 2 2 264.373 0.904 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)CCc1[nH+]ccn1C ZINC001263772372 809567550 /nfs/dbraw/zinc/56/75/50/809567550.db2.gz KMTYVKOSTJCZGV-VXGBXAGGSA-N 2 2 264.373 0.904 20 0 CCADLP COCCC[NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001263873866 809596014 /nfs/dbraw/zinc/59/60/14/809596014.db2.gz JBWHIWQSFPPSFH-HAQNSBGRSA-N 2 2 280.372 0.473 20 0 CCADLP CC(C)CNC(=O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000385188833 809625441 /nfs/dbraw/zinc/62/54/41/809625441.db2.gz NOKDHZZILDUEKC-UHFFFAOYSA-N 2 2 253.390 0.975 20 0 CCADLP CCOCC[NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001265489570 809790843 /nfs/dbraw/zinc/79/08/43/809790843.db2.gz LFTVPHNGYFFJDF-JOCQHMNTSA-N 2 2 280.372 0.547 20 0 CCADLP COC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001076633439 815322589 /nfs/dbraw/zinc/32/25/89/815322589.db2.gz NTICMXBLFGTZHD-HZSPNIEDSA-N 2 2 292.383 0.451 20 0 CCADLP COC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001076633439 815322596 /nfs/dbraw/zinc/32/25/96/815322596.db2.gz NTICMXBLFGTZHD-HZSPNIEDSA-N 2 2 292.383 0.451 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]C[C@@H]1CCOC1 ZINC001265843782 809872851 /nfs/dbraw/zinc/87/28/51/809872851.db2.gz NGUJTLQBHXCILQ-MNOVXSKESA-N 2 2 266.345 0.083 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1CCC[NH+](C)C1)C1CC1 ZINC000394062094 809937774 /nfs/dbraw/zinc/93/77/74/809937774.db2.gz APUXDFMZSZPZTB-TZMCWYRMSA-N 3 2 255.406 0.373 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1CCC[NH+](C)C1)C1CC1 ZINC000394062094 809937780 /nfs/dbraw/zinc/93/77/80/809937780.db2.gz APUXDFMZSZPZTB-TZMCWYRMSA-N 3 2 255.406 0.373 20 0 CCADLP C[NH+](C[C@H](O)C[NH2+]C[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000394062094 809937784 /nfs/dbraw/zinc/93/77/84/809937784.db2.gz APUXDFMZSZPZTB-TZMCWYRMSA-N 3 2 255.406 0.373 20 0 CCADLP C[NH+](C[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000394062094 809937791 /nfs/dbraw/zinc/93/77/91/809937791.db2.gz APUXDFMZSZPZTB-TZMCWYRMSA-N 3 2 255.406 0.373 20 0 CCADLP CCOC(=O)CC[N@H+](C)C[C@H](O)C[NH+](CC)CC ZINC000394145356 809946090 /nfs/dbraw/zinc/94/60/90/809946090.db2.gz OHMZOESQCXQDTF-LBPRGKRZSA-N 2 2 260.378 0.574 20 0 CCADLP CCOC(=O)CC[N@@H+](C)C[C@H](O)C[NH+](CC)CC ZINC000394145356 809946093 /nfs/dbraw/zinc/94/60/93/809946093.db2.gz OHMZOESQCXQDTF-LBPRGKRZSA-N 2 2 260.378 0.574 20 0 CCADLP CC(C)(C(=O)N(CCO)CC[NH2+]CCF)c1c[nH+]c[nH]1 ZINC001279886736 809998455 /nfs/dbraw/zinc/99/84/55/809998455.db2.gz UGQBOBRNGJDEFR-UHFFFAOYSA-N 2 2 286.351 0.067 20 0 CCADLP Cc1ncc(C[NH3+])c(=N)n1-c1ccn2cc(N)[nH+]c2c1 ZINC001167674606 811189022 /nfs/dbraw/zinc/18/90/22/811189022.db2.gz UFWGKCSFJIOHPB-UHFFFAOYSA-N 2 2 269.312 0.349 20 0 CCADLP C[C@H]1C[C@@H](C[NH2+]CCN(C)C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001267445854 811311683 /nfs/dbraw/zinc/31/16/83/811311683.db2.gz IRJBGMMLPRGHCI-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP CN(CC[NH2+]CCF)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001267455705 811316950 /nfs/dbraw/zinc/31/69/50/811316950.db2.gz CQBNFLYRTGAHDZ-UHFFFAOYSA-N 2 2 256.325 0.705 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1cnsn1 ZINC001267474286 811356860 /nfs/dbraw/zinc/35/68/60/811356860.db2.gz OTXGCOICCUOKOI-UHFFFAOYSA-N 2 2 285.417 0.426 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH2+]Cc1cnsn1 ZINC001267474286 811356869 /nfs/dbraw/zinc/35/68/69/811356869.db2.gz OTXGCOICCUOKOI-UHFFFAOYSA-N 2 2 285.417 0.426 20 0 CCADLP C(C1CC1)[NH+]1CCC([NH2+]C2CN(C3COC3)C2)CC1 ZINC001168368231 815453715 /nfs/dbraw/zinc/45/37/15/815453715.db2.gz DDXWLKVNVFCNAA-UHFFFAOYSA-N 2 2 265.401 0.533 20 0 CCADLP CC(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001077170883 815455785 /nfs/dbraw/zinc/45/57/85/815455785.db2.gz WMXMPLHJLOUUFR-HBJVGIJOSA-N 2 2 292.383 0.331 20 0 CCADLP CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001077170883 815455788 /nfs/dbraw/zinc/45/57/88/815455788.db2.gz WMXMPLHJLOUUFR-HBJVGIJOSA-N 2 2 292.383 0.331 20 0 CCADLP CC(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001077170883 815455791 /nfs/dbraw/zinc/45/57/91/815455791.db2.gz WMXMPLHJLOUUFR-HBJVGIJOSA-N 2 2 292.383 0.331 20 0 CCADLP CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001077170883 815455794 /nfs/dbraw/zinc/45/57/94/815455794.db2.gz WMXMPLHJLOUUFR-HBJVGIJOSA-N 2 2 292.383 0.331 20 0 CCADLP CC[NH+]1CC(NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001267662209 811630215 /nfs/dbraw/zinc/63/02/15/811630215.db2.gz RDWMJNPALLNFAE-UHFFFAOYSA-N 2 2 269.389 0.309 20 0 CCADLP CC(C)=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001077236032 815467397 /nfs/dbraw/zinc/46/73/97/815467397.db2.gz CPWYLAGWGWFCGW-QLFBSQMISA-N 2 2 295.427 0.598 20 0 CCADLP CC(C)=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001077236032 815467400 /nfs/dbraw/zinc/46/74/00/815467400.db2.gz CPWYLAGWGWFCGW-QLFBSQMISA-N 2 2 295.427 0.598 20 0 CCADLP CC(C)=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001077236032 815467404 /nfs/dbraw/zinc/46/74/04/815467404.db2.gz CPWYLAGWGWFCGW-QLFBSQMISA-N 2 2 295.427 0.598 20 0 CCADLP CC(C)=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001077236032 815467407 /nfs/dbraw/zinc/46/74/07/815467407.db2.gz CPWYLAGWGWFCGW-QLFBSQMISA-N 2 2 295.427 0.598 20 0 CCADLP O=C(NC[C@@H]1CC[N@H+]1CCCO)[C@@H]1CCCc2[nH+]ccn21 ZINC001038345143 811670995 /nfs/dbraw/zinc/67/09/95/811670995.db2.gz JKQPPSDHJDFUKE-STQMWFEESA-N 2 2 292.383 0.333 20 0 CCADLP O=C(NC[C@@H]1CC[N@@H+]1CCCO)[C@@H]1CCCc2[nH+]ccn21 ZINC001038345143 811670999 /nfs/dbraw/zinc/67/09/99/811670999.db2.gz JKQPPSDHJDFUKE-STQMWFEESA-N 2 2 292.383 0.333 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)[C@@H]([NH3+])COC(C)(C)C)c1 ZINC000313231338 811693008 /nfs/dbraw/zinc/69/30/08/811693008.db2.gz NOLDXRCRLIFWCJ-NSHDSACASA-N 2 2 268.361 0.221 20 0 CCADLP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001077259096 815469683 /nfs/dbraw/zinc/46/96/83/815469683.db2.gz IBOIVXKBZSNDEK-JHJVBQTASA-N 2 2 292.383 0.015 20 0 CCADLP COCCC[NH2+]C1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001100790164 811771319 /nfs/dbraw/zinc/77/13/19/811771319.db2.gz RQMUNQYJFOGXTM-UHFFFAOYSA-N 2 2 280.372 0.473 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCN2CCOC2=O)[C@@H]1C ZINC000692630378 811790476 /nfs/dbraw/zinc/79/04/76/811790476.db2.gz FFMAERORZHYSEM-UTUOFQBUSA-N 2 2 255.362 0.886 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCN2CCOC2=O)[C@@H]1C ZINC000692630378 811790479 /nfs/dbraw/zinc/79/04/79/811790479.db2.gz FFMAERORZHYSEM-UTUOFQBUSA-N 2 2 255.362 0.886 20 0 CCADLP FC1(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)CC[NH2+]CC1 ZINC001222492398 811923449 /nfs/dbraw/zinc/92/34/49/811923449.db2.gz WRHFNNJKYMPKAO-STQMWFEESA-N 3 2 270.396 0.104 20 0 CCADLP FC1(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)CC[NH2+]CC1 ZINC001222492398 811923453 /nfs/dbraw/zinc/92/34/53/811923453.db2.gz WRHFNNJKYMPKAO-STQMWFEESA-N 3 2 270.396 0.104 20 0 CCADLP CC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001027172395 811970255 /nfs/dbraw/zinc/97/02/55/811970255.db2.gz USYOJOQVBICVAO-LLVKDONJSA-N 2 2 250.346 0.421 20 0 CCADLP C[N@H+](CCO)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001027436466 812010914 /nfs/dbraw/zinc/01/09/14/812010914.db2.gz YXRMZHKNRPGHKH-ZDUSSCGKSA-N 2 2 280.372 0.257 20 0 CCADLP C[N@@H+](CCO)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001027436466 812010920 /nfs/dbraw/zinc/01/09/20/812010920.db2.gz YXRMZHKNRPGHKH-ZDUSSCGKSA-N 2 2 280.372 0.257 20 0 CCADLP C[N@H+](CCO)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001027436466 812010925 /nfs/dbraw/zinc/01/09/25/812010925.db2.gz YXRMZHKNRPGHKH-ZDUSSCGKSA-N 2 2 280.372 0.257 20 0 CCADLP C[N@@H+](CCO)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001027436466 812010932 /nfs/dbraw/zinc/01/09/32/812010932.db2.gz YXRMZHKNRPGHKH-ZDUSSCGKSA-N 2 2 280.372 0.257 20 0 CCADLP O=C(NC[C@H]1CCC[N@H+]1CCO)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001027945331 812156694 /nfs/dbraw/zinc/15/66/94/812156694.db2.gz WEBBZIVMGOTJKE-IJLUTSLNSA-N 2 2 278.356 0.086 20 0 CCADLP O=C(NC[C@H]1CCC[N@@H+]1CCO)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001027945331 812156700 /nfs/dbraw/zinc/15/67/00/812156700.db2.gz WEBBZIVMGOTJKE-IJLUTSLNSA-N 2 2 278.356 0.086 20 0 CCADLP C[C@H](O)C[NH2+]CC[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001268386774 812535480 /nfs/dbraw/zinc/53/54/80/812535480.db2.gz PSZSWDOPEOGSLM-RYUDHWBXSA-N 2 2 290.367 0.813 20 0 CCADLP Cc1nc(NC(=N)SCC[NH3+])cc(N2CCOCC2)[nH+]1 ZINC001167909035 812585412 /nfs/dbraw/zinc/58/54/12/812585412.db2.gz COSHDRHGALJRLG-UHFFFAOYSA-N 2 2 296.400 0.660 20 0 CCADLP [NH2+]=C(Nc1ccnn(CC2CC2)c1=O)SCC[NH3+] ZINC001167915239 812605998 /nfs/dbraw/zinc/60/59/98/812605998.db2.gz FTPLHHPXCUYZAP-UHFFFAOYSA-N 2 2 267.358 0.692 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](Cc2cnon2)C1 ZINC001028446745 812711908 /nfs/dbraw/zinc/71/19/08/812711908.db2.gz HQZACAICTCAFHF-DGCLKSJQSA-N 2 2 293.371 0.102 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](Cc2cnon2)C1 ZINC001028446745 812711914 /nfs/dbraw/zinc/71/19/14/812711914.db2.gz HQZACAICTCAFHF-DGCLKSJQSA-N 2 2 293.371 0.102 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](Cc2cnon2)C1 ZINC001028446745 812711921 /nfs/dbraw/zinc/71/19/21/812711921.db2.gz HQZACAICTCAFHF-DGCLKSJQSA-N 2 2 293.371 0.102 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001028446745 812711926 /nfs/dbraw/zinc/71/19/26/812711926.db2.gz HQZACAICTCAFHF-DGCLKSJQSA-N 2 2 293.371 0.102 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCO ZINC001039974316 812943920 /nfs/dbraw/zinc/94/39/20/812943920.db2.gz WOMARNSWANJAIR-BETUJISGSA-N 2 2 292.383 0.020 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCO ZINC001039974316 812943924 /nfs/dbraw/zinc/94/39/24/812943924.db2.gz WOMARNSWANJAIR-BETUJISGSA-N 2 2 292.383 0.020 20 0 CCADLP COCC[NH2+]CCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001268860889 813119390 /nfs/dbraw/zinc/11/93/90/813119390.db2.gz LHUYKQDFWNJRPN-UHFFFAOYSA-N 2 2 254.334 0.037 20 0 CCADLP C[C@H](CC(=O)N(CCO)C1CC[NH+](C)CC1)n1cc[nH+]c1 ZINC000911946042 815604488 /nfs/dbraw/zinc/60/44/88/815604488.db2.gz MHWFWLFFBQYJCO-CYBMUJFWSA-N 2 2 294.399 0.749 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCC2([NH2+]CCCO)CC2)c[nH+]1 ZINC001269437504 813370118 /nfs/dbraw/zinc/37/01/18/813370118.db2.gz PPXGOOAIFBEJOK-UHFFFAOYSA-N 2 2 294.399 0.547 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]CCC[C@H](C)O)CC1 ZINC001269526222 813401422 /nfs/dbraw/zinc/40/14/22/813401422.db2.gz BAIDRKDXUIVHEO-NSHDSACASA-N 2 2 294.399 0.660 20 0 CCADLP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001269842714 813526362 /nfs/dbraw/zinc/52/63/62/813526362.db2.gz ZAASEBSXXOWXAP-OKILXGFUSA-N 2 2 291.399 0.120 20 0 CCADLP Cc1cc(C[NH2+]CCNC(=O)CCc2[nH]cc[nH+]2)on1 ZINC001126431259 813546835 /nfs/dbraw/zinc/54/68/35/813546835.db2.gz FETCUCVNQSEBOL-UHFFFAOYSA-N 2 2 277.328 0.545 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001269893729 813548619 /nfs/dbraw/zinc/54/86/19/813548619.db2.gz VEFWWVJZJIYUFL-UHFFFAOYSA-N 2 2 257.378 0.116 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001269893729 813548626 /nfs/dbraw/zinc/54/86/26/813548626.db2.gz VEFWWVJZJIYUFL-UHFFFAOYSA-N 2 2 257.378 0.116 20 0 CCADLP CCn1ccnc1C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126437232 813587789 /nfs/dbraw/zinc/58/77/89/813587789.db2.gz WYXBOJKOZXZAGX-UHFFFAOYSA-N 2 2 290.371 0.465 20 0 CCADLP COC[C@H](C)[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126447463 813631161 /nfs/dbraw/zinc/63/11/61/813631161.db2.gz GMZAELYTLJSWBQ-JTQLQIEISA-N 2 2 254.334 0.083 20 0 CCADLP CC(C)OCCC[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126447645 813632699 /nfs/dbraw/zinc/63/26/99/813632699.db2.gz IZODRICGENRQDP-UHFFFAOYSA-N 2 2 282.388 0.863 20 0 CCADLP C[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2CC1 ZINC001270180892 813665175 /nfs/dbraw/zinc/66/51/75/813665175.db2.gz QLZQFDMQXKVFID-TXEJJXNPSA-N 2 2 262.357 0.752 20 0 CCADLP C[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2CC1 ZINC001270180892 813665179 /nfs/dbraw/zinc/66/51/79/813665179.db2.gz QLZQFDMQXKVFID-TXEJJXNPSA-N 2 2 262.357 0.752 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C[NH2+]CCCO ZINC001270443516 813765683 /nfs/dbraw/zinc/76/56/83/813765683.db2.gz HXSKANZBKJDPRY-CHWSQXEVSA-N 2 2 294.399 0.170 20 0 CCADLP C[NH+]1CCCC[C@@H]1C(=O)N1[C@H]2COC[C@@H]1C[N@H+](C)C2 ZINC001270617747 813841629 /nfs/dbraw/zinc/84/16/29/813841629.db2.gz NIOOJZCHRULDGK-FRRDWIJNSA-N 2 2 267.373 0.012 20 0 CCADLP C[NH+]1CCCC[C@@H]1C(=O)N1[C@H]2COC[C@@H]1C[N@@H+](C)C2 ZINC001270617747 813841638 /nfs/dbraw/zinc/84/16/38/813841638.db2.gz NIOOJZCHRULDGK-FRRDWIJNSA-N 2 2 267.373 0.012 20 0 CCADLP C[NH+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C ZINC001270617747 813841648 /nfs/dbraw/zinc/84/16/48/813841648.db2.gz NIOOJZCHRULDGK-FRRDWIJNSA-N 2 2 267.373 0.012 20 0 CCADLP C[NH+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C ZINC001270617747 813841659 /nfs/dbraw/zinc/84/16/59/813841659.db2.gz NIOOJZCHRULDGK-FRRDWIJNSA-N 2 2 267.373 0.012 20 0 CCADLP C[NH+]1CCO[C@H]2CN(C(=O)C[C@H]3CCC[N@@H+](C)C3)C[C@H]21 ZINC001271015217 814116742 /nfs/dbraw/zinc/11/67/42/814116742.db2.gz AMECPDRLHTWJQN-MCIONIFRSA-N 2 2 281.400 0.260 20 0 CCADLP C[NH+]1CCO[C@H]2CN(C(=O)C[C@H]3CCC[N@H+](C)C3)C[C@H]21 ZINC001271015217 814116745 /nfs/dbraw/zinc/11/67/45/814116745.db2.gz AMECPDRLHTWJQN-MCIONIFRSA-N 2 2 281.400 0.260 20 0 CCADLP C[NH+]1CCC[C@H](CC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)C1 ZINC001271015217 814116750 /nfs/dbraw/zinc/11/67/50/814116750.db2.gz AMECPDRLHTWJQN-MCIONIFRSA-N 2 2 281.400 0.260 20 0 CCADLP C[NH+]1CCC[C@H](CC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)C1 ZINC001271015217 814116754 /nfs/dbraw/zinc/11/67/54/814116754.db2.gz AMECPDRLHTWJQN-MCIONIFRSA-N 2 2 281.400 0.260 20 0 CCADLP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+](C[C@H]2CCCCO2)C1 ZINC001042547025 814418985 /nfs/dbraw/zinc/41/89/85/814418985.db2.gz JHUPZVJQPGOWCN-HUUCEWRRSA-N 2 2 295.427 0.792 20 0 CCADLP CN(C(=O)[C@H]1CCC[N@H+]1C)C1C[NH+](C[C@H]2CCCCO2)C1 ZINC001042547025 814418989 /nfs/dbraw/zinc/41/89/89/814418989.db2.gz JHUPZVJQPGOWCN-HUUCEWRRSA-N 2 2 295.427 0.792 20 0 CCADLP C[N@@H+]1CCO[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@H]21 ZINC001271931008 814634258 /nfs/dbraw/zinc/63/42/58/814634258.db2.gz DREMYXSEASQNNU-CABCVRRESA-N 2 2 295.427 0.794 20 0 CCADLP C[N@H+]1CCO[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@H]21 ZINC001271931008 814634263 /nfs/dbraw/zinc/63/42/63/814634263.db2.gz DREMYXSEASQNNU-CABCVRRESA-N 2 2 295.427 0.794 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1CCCCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001088404988 814675507 /nfs/dbraw/zinc/67/55/07/814675507.db2.gz LWIFEGBKSFKOFL-OLZOCXBDSA-N 2 2 294.399 0.694 20 0 CCADLP CC1CC(C[NH+]2CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001030517065 816082411 /nfs/dbraw/zinc/08/24/11/816082411.db2.gz SDYAVSVUFIBTJN-HNQLUHSGSA-N 2 2 295.427 0.552 20 0 CCADLP CC1CC(C[NH+]2CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001030517065 816082415 /nfs/dbraw/zinc/08/24/15/816082415.db2.gz SDYAVSVUFIBTJN-HNQLUHSGSA-N 2 2 295.427 0.552 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001030532088 816090109 /nfs/dbraw/zinc/09/01/09/816090109.db2.gz FFZMIMXFZYPDMJ-AAEUAGOBSA-N 2 2 269.389 0.306 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001030532088 816090115 /nfs/dbraw/zinc/09/01/15/816090115.db2.gz FFZMIMXFZYPDMJ-AAEUAGOBSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@H](O)C[NH+]1CC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001030742313 816258799 /nfs/dbraw/zinc/25/87/99/816258799.db2.gz RCYJDWGGVFHUOR-SMDDNHRTSA-N 2 2 281.400 0.042 20 0 CCADLP C[NH+](C)C1(C(=O)N2CC3(C2)C[NH+](Cc2ccc[nH]2)C3)CC1 ZINC001272308107 816295193 /nfs/dbraw/zinc/29/51/93/816295193.db2.gz PZYROVWSHCWOPU-UHFFFAOYSA-N 2 2 288.395 0.753 20 0 CCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)NC2C[NH+](CC3CC3)C2)C1 ZINC001030838214 816331968 /nfs/dbraw/zinc/33/19/68/816331968.db2.gz ARPYGXZVWHXMNU-AWEZNQCLSA-N 2 2 281.400 0.306 20 0 CCADLP CC(C)[N@H+]1CCO[C@H](C(=O)NC2C[NH+](CC3CC3)C2)C1 ZINC001030838214 816331973 /nfs/dbraw/zinc/33/19/73/816331973.db2.gz ARPYGXZVWHXMNU-AWEZNQCLSA-N 2 2 281.400 0.306 20 0 CCADLP CC[N@@H+]1CCC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001272439676 816430707 /nfs/dbraw/zinc/43/07/07/816430707.db2.gz JRDNZPFLHCFUOK-HNNXBMFYSA-N 2 2 290.367 0.781 20 0 CCADLP CC[N@H+]1CCC[C@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001272439676 816430708 /nfs/dbraw/zinc/43/07/08/816430708.db2.gz JRDNZPFLHCFUOK-HNNXBMFYSA-N 2 2 290.367 0.781 20 0 CCADLP CC[N@@H+]1CCC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001272439677 816430745 /nfs/dbraw/zinc/43/07/45/816430745.db2.gz JRDNZPFLHCFUOK-OAHLLOKOSA-N 2 2 290.367 0.781 20 0 CCADLP CC[N@H+]1CCC[C@@]2(CC(=O)N(Cc3c[nH+]cn3C)C2=O)C1 ZINC001272439677 816430748 /nfs/dbraw/zinc/43/07/48/816430748.db2.gz JRDNZPFLHCFUOK-OAHLLOKOSA-N 2 2 290.367 0.781 20 0 CCADLP c1c2c(nnc1NCC1([NH+]3CCCC3)COC1)C[NH2+]C2 ZINC001168443189 816472754 /nfs/dbraw/zinc/47/27/54/816472754.db2.gz CJGPLCZYDLAQCR-UHFFFAOYSA-N 2 2 275.356 0.357 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001121939469 816491196 /nfs/dbraw/zinc/49/11/96/816491196.db2.gz KBOOEBYEXQXKAK-NQBHXWOUSA-N 2 2 262.357 0.799 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001121939469 816491199 /nfs/dbraw/zinc/49/11/99/816491199.db2.gz KBOOEBYEXQXKAK-NQBHXWOUSA-N 2 2 262.357 0.799 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001030955106 816496238 /nfs/dbraw/zinc/49/62/38/816496238.db2.gz DNWWXQGUMFYITD-RYUDHWBXSA-N 2 2 269.389 0.306 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001030955106 816496245 /nfs/dbraw/zinc/49/62/45/816496245.db2.gz DNWWXQGUMFYITD-RYUDHWBXSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NC2C[NH+](CCCF)C2)C1 ZINC001030960793 816507033 /nfs/dbraw/zinc/50/70/33/816507033.db2.gz WLVBJGOANYPCQA-LLVKDONJSA-N 2 2 257.353 0.488 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NC2C[NH+](CCCF)C2)C1 ZINC001030960793 816507038 /nfs/dbraw/zinc/50/70/38/816507038.db2.gz WLVBJGOANYPCQA-LLVKDONJSA-N 2 2 257.353 0.488 20 0 CCADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001031050434 816606513 /nfs/dbraw/zinc/60/65/13/816606513.db2.gz MEQNPQJOMYUCCI-TZMCWYRMSA-N 2 2 283.416 0.431 20 0 CCADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001031050434 816606516 /nfs/dbraw/zinc/60/65/16/816606516.db2.gz MEQNPQJOMYUCCI-TZMCWYRMSA-N 2 2 283.416 0.431 20 0 CCADLP C[C@H](C(=O)NC1C[NH+](CCCO)C1)[NH+]1CCCCCC1 ZINC001031050012 816607635 /nfs/dbraw/zinc/60/76/35/816607635.db2.gz WTMACNPTGQKBHM-CYBMUJFWSA-N 2 2 283.416 0.434 20 0 CCADLP CO[C@@H]1C[N@H+](CC2CC2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212200943 816720100 /nfs/dbraw/zinc/72/01/00/816720100.db2.gz HXZIZRTYLVOUPN-CHWSQXEVSA-N 2 2 292.383 0.568 20 0 CCADLP CO[C@@H]1C[N@@H+](CC2CC2)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001212200943 816720105 /nfs/dbraw/zinc/72/01/05/816720105.db2.gz HXZIZRTYLVOUPN-CHWSQXEVSA-N 2 2 292.383 0.568 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106704915 816858155 /nfs/dbraw/zinc/85/81/55/816858155.db2.gz IQZINQBLSVHOCI-JHJVBQTASA-N 2 2 294.399 0.671 20 0 CCADLP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001031235269 816866980 /nfs/dbraw/zinc/86/69/80/816866980.db2.gz QADZLYDSRQLVFP-HIFRSBDPSA-N 2 2 297.443 0.822 20 0 CCADLP CCCC[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001031235269 816866985 /nfs/dbraw/zinc/86/69/85/816866985.db2.gz QADZLYDSRQLVFP-HIFRSBDPSA-N 2 2 297.443 0.822 20 0 CCADLP C[C@H](O)C[NH+]1CC(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001031235984 816868668 /nfs/dbraw/zinc/86/86/68/816868668.db2.gz LRMANWXQYQMSIU-LBPRGKRZSA-N 2 2 295.427 0.290 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC1C[NH+](CC[C@H]2CCOC2)C1 ZINC001031256764 816906307 /nfs/dbraw/zinc/90/63/07/816906307.db2.gz DMXCYICTQRJQFE-LBPRGKRZSA-N 2 2 292.383 0.190 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC1C[NH+](C[C@H]2CCCOC2)C1 ZINC001031313413 816963218 /nfs/dbraw/zinc/96/32/18/816963218.db2.gz MFOOMQWOMBFZDB-GFCCVEGCSA-N 2 2 292.383 0.488 20 0 CCADLP Cc1nc(F)ccc1C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001236000506 816986210 /nfs/dbraw/zinc/98/62/10/816986210.db2.gz VPQSUNCSOGCPCC-ONXXMXGDSA-N 2 2 265.332 0.935 20 0 CCADLP Cc1nc(F)ccc1C[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001236000506 816986219 /nfs/dbraw/zinc/98/62/19/816986219.db2.gz VPQSUNCSOGCPCC-ONXXMXGDSA-N 2 2 265.332 0.935 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001031390569 817025185 /nfs/dbraw/zinc/02/51/85/817025185.db2.gz RISQFMSQAMKCJZ-SNVBAGLBSA-N 2 2 266.345 0.027 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+](CC(C)C)C2)C1 ZINC001031414641 817042244 /nfs/dbraw/zinc/04/22/44/817042244.db2.gz LILRAOSLFNDGLR-CYBMUJFWSA-N 2 2 269.389 0.164 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NC2C[NH+](CC(C)C)C2)C1 ZINC001031414641 817042249 /nfs/dbraw/zinc/04/22/49/817042249.db2.gz LILRAOSLFNDGLR-CYBMUJFWSA-N 2 2 269.389 0.164 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)[C@H]2C[NH+]3CCC2CC3)o1 ZINC001127475337 817147420 /nfs/dbraw/zinc/14/74/20/817147420.db2.gz TXPQTGXMPQFVBR-ZDUSSCGKSA-N 2 2 292.383 0.531 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001031744853 817309499 /nfs/dbraw/zinc/30/94/99/817309499.db2.gz UODIKAJCGCMEIP-CYZMBNFOSA-N 2 2 292.383 0.596 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2nncs2)CC[N@@H+]1C ZINC001127643929 817414749 /nfs/dbraw/zinc/41/47/49/817414749.db2.gz RNFSFMMFIFQNBK-NXEZZACHSA-N 2 2 283.401 0.084 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2nncs2)CC[N@H+]1C ZINC001127643929 817414752 /nfs/dbraw/zinc/41/47/52/817414752.db2.gz RNFSFMMFIFQNBK-NXEZZACHSA-N 2 2 283.401 0.084 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001031980439 817517744 /nfs/dbraw/zinc/51/77/44/817517744.db2.gz RCOMWJCIXCRGBM-PWSUYJOCSA-N 2 2 257.353 0.202 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001031980439 817517748 /nfs/dbraw/zinc/51/77/48/817517748.db2.gz RCOMWJCIXCRGBM-PWSUYJOCSA-N 2 2 257.353 0.202 20 0 CCADLP COCC[NH2+]CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001127773738 817852190 /nfs/dbraw/zinc/85/21/90/817852190.db2.gz UONHJYOIMDEXFF-CYBMUJFWSA-N 2 2 295.387 0.142 20 0 CCADLP COCC[NH2+]CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001127773738 817852198 /nfs/dbraw/zinc/85/21/98/817852198.db2.gz UONHJYOIMDEXFF-CYBMUJFWSA-N 2 2 295.387 0.142 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@]12CCC[C@H]1[N@H+](CCO)CC2 ZINC001107561677 817880575 /nfs/dbraw/zinc/88/05/75/817880575.db2.gz PAOSNSDNOYSGSJ-UKRRQHHQSA-N 2 2 292.383 0.305 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@]12CCC[C@H]1[N@@H+](CCO)CC2 ZINC001107561677 817880581 /nfs/dbraw/zinc/88/05/81/817880581.db2.gz PAOSNSDNOYSGSJ-UKRRQHHQSA-N 2 2 292.383 0.305 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N(C)C1C[NH+](C[C@@H]2CCOC2)C1 ZINC001044300361 818348676 /nfs/dbraw/zinc/34/86/76/818348676.db2.gz RRUYRCCSCJUVPT-ZDUSSCGKSA-N 2 2 292.383 0.371 20 0 CCADLP CC(C)=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001032971865 818395294 /nfs/dbraw/zinc/39/52/94/818395294.db2.gz AECUKGKFYIZWHX-CABCVRRESA-N 2 2 295.427 0.816 20 0 CCADLP CC(C)=CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001032971865 818395300 /nfs/dbraw/zinc/39/53/00/818395300.db2.gz AECUKGKFYIZWHX-CABCVRRESA-N 2 2 295.427 0.816 20 0 CCADLP CC(C)=CC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001032971865 818395303 /nfs/dbraw/zinc/39/53/03/818395303.db2.gz AECUKGKFYIZWHX-CABCVRRESA-N 2 2 295.427 0.816 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cnc(C3CC3)nc2)CC1 ZINC001168737230 818561572 /nfs/dbraw/zinc/56/15/72/818561572.db2.gz XAPHKGPJBZWRLM-UHFFFAOYSA-N 2 2 260.345 0.948 20 0 CCADLP CNC(=O)c1cccc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001168737157 818562663 /nfs/dbraw/zinc/56/26/63/818562663.db2.gz WAPIMXKZVXHOJU-UHFFFAOYSA-N 2 2 276.344 0.035 20 0 CCADLP CNC(=O)c1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)nc1 ZINC001168737334 818563041 /nfs/dbraw/zinc/56/30/41/818563041.db2.gz ZNBRBFPUXPKMOG-UHFFFAOYSA-N 2 2 276.344 0.035 20 0 CCADLP CC[C@H](C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1)OC ZINC001033455170 818789496 /nfs/dbraw/zinc/78/94/96/818789496.db2.gz ILJZKXXIHMPJFS-ZIAGYGMSSA-N 2 2 294.399 0.910 20 0 CCADLP CC[C@H](C[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1)OC ZINC001033455170 818789501 /nfs/dbraw/zinc/78/95/01/818789501.db2.gz ILJZKXXIHMPJFS-ZIAGYGMSSA-N 2 2 294.399 0.910 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033591579 818841776 /nfs/dbraw/zinc/84/17/76/818841776.db2.gz VHJADJXCGGTXLF-QWHCGFSZSA-N 2 2 294.399 0.530 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033591579 818841777 /nfs/dbraw/zinc/84/17/77/818841777.db2.gz VHJADJXCGGTXLF-QWHCGFSZSA-N 2 2 294.399 0.530 20 0 CCADLP COCC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033589743 818841792 /nfs/dbraw/zinc/84/17/92/818841792.db2.gz NENXNGSUUIOPJS-GFCCVEGCSA-N 2 2 280.372 0.142 20 0 CCADLP COCC[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001033589743 818841794 /nfs/dbraw/zinc/84/17/94/818841794.db2.gz NENXNGSUUIOPJS-GFCCVEGCSA-N 2 2 280.372 0.142 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033703790 818891687 /nfs/dbraw/zinc/89/16/87/818891687.db2.gz IACRFFNSUOJUDV-QWHCGFSZSA-N 2 2 280.372 0.451 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033703790 818891690 /nfs/dbraw/zinc/89/16/90/818891690.db2.gz IACRFFNSUOJUDV-QWHCGFSZSA-N 2 2 280.372 0.451 20 0 CCADLP CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001108107934 818913784 /nfs/dbraw/zinc/91/37/84/818913784.db2.gz JZYIVQUXKFXOEV-AWEZNQCLSA-N 2 2 280.372 0.500 20 0 CCADLP CC[N@H+]1CCO[C@@](C)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001108107934 818913789 /nfs/dbraw/zinc/91/37/89/818913789.db2.gz JZYIVQUXKFXOEV-AWEZNQCLSA-N 2 2 280.372 0.500 20 0 CCADLP C[C@H](C(=O)N1CCCCC1)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702054156 819047644 /nfs/dbraw/zinc/04/76/44/819047644.db2.gz SULBWRQELXFILY-VNHYZAJKSA-N 2 2 265.401 0.929 20 0 CCADLP C[C@H](C(=O)N1CCCCC1)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702054156 819047651 /nfs/dbraw/zinc/04/76/51/819047651.db2.gz SULBWRQELXFILY-VNHYZAJKSA-N 2 2 265.401 0.929 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]C2CCC(C)(O)CC2)CC1 ZINC000703562054 819299884 /nfs/dbraw/zinc/29/98/84/819299884.db2.gz DNJZZAKAPFVKEG-UHFFFAOYSA-N 2 2 269.389 0.044 20 0 CCADLP CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001035134648 819399059 /nfs/dbraw/zinc/39/90/59/819399059.db2.gz YRMFUAWGBURIGD-HUUCEWRRSA-N 2 2 295.427 0.698 20 0 CCADLP COCCOC[C@H](O)C[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705681211 819544147 /nfs/dbraw/zinc/54/41/47/819544147.db2.gz SAIZGCDYHSEMNO-ILXRZTDVSA-N 2 2 286.416 0.284 20 0 CCADLP C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CCO ZINC001036269668 819717581 /nfs/dbraw/zinc/71/75/81/819717581.db2.gz VXBQJDJQPSQLIE-RYUDHWBXSA-N 2 2 294.399 0.506 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000382919331 820247741 /nfs/dbraw/zinc/24/77/41/820247741.db2.gz BWPSTUGWEJYOQA-JSGCOSHPSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001082673969 821017315 /nfs/dbraw/zinc/01/73/15/821017315.db2.gz ZLXBJTPWGNCNLD-JHJVBQTASA-N 2 2 280.372 0.091 20 0 CCADLP COC(=O)c1c(C)cc(C)[nH+]c1N1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001165383213 821056745 /nfs/dbraw/zinc/05/67/45/821056745.db2.gz QKRIHTVYRVOZEL-PEGIJTEDSA-N 2 2 261.325 0.878 20 0 CCADLP C[NH+](C)[C@H](C(=O)N1C[C@H]2CC[N@H+](CCF)C[C@H]21)C1CC1 ZINC001084406363 821287916 /nfs/dbraw/zinc/28/79/16/821287916.db2.gz NSKSAGANMRCKHV-MCIONIFRSA-N 2 2 283.391 0.829 20 0 CCADLP C[NH+](C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](CCF)C[C@H]21)C1CC1 ZINC001084406363 821287923 /nfs/dbraw/zinc/28/79/23/821287923.db2.gz NSKSAGANMRCKHV-MCIONIFRSA-N 2 2 283.391 0.829 20 0 CCADLP CN(C[C@@H]1CC[N@@H+]1CCF)C(=O)C12CC[NH+](CC1)C2 ZINC001085927578 822021093 /nfs/dbraw/zinc/02/10/93/822021093.db2.gz BGMOFDCBGYRYHA-LBPRGKRZSA-N 2 2 269.364 0.584 20 0 CCADLP CN(C[C@@H]1CC[N@H+]1CCF)C(=O)C12CC[NH+](CC1)C2 ZINC001085927578 822021101 /nfs/dbraw/zinc/02/11/01/822021101.db2.gz BGMOFDCBGYRYHA-LBPRGKRZSA-N 2 2 269.364 0.584 20 0 CCADLP O=C(NCC[NH2+]CC[C@@H]1CCCO1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129891717 837577009 /nfs/dbraw/zinc/57/70/09/837577009.db2.gz RXHGIGUQJMPPBM-YNEHKIRRSA-N 2 2 292.383 0.788 20 0 CCADLP O=C(NCC[NH2+]CC[C@@H]1CCCO1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129891717 837577016 /nfs/dbraw/zinc/57/70/16/837577016.db2.gz RXHGIGUQJMPPBM-YNEHKIRRSA-N 2 2 292.383 0.788 20 0 CCADLP CC[C@@H](F)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129891620 837577213 /nfs/dbraw/zinc/57/72/13/837577213.db2.gz PHGLDQIAEPPDCB-GMTAPVOTSA-N 2 2 268.336 0.967 20 0 CCADLP O=C(NCC[NH2+]CCOCC1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129893693 837582701 /nfs/dbraw/zinc/58/27/01/837582701.db2.gz YHZGTKDPBAMERC-CHWSQXEVSA-N 2 2 292.383 0.646 20 0 CCADLP O=C(NCC[NH2+]CCOCC1CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129893693 837582709 /nfs/dbraw/zinc/58/27/09/837582709.db2.gz YHZGTKDPBAMERC-CHWSQXEVSA-N 2 2 292.383 0.646 20 0 CCADLP CCOCC[NH2+]CCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001130167384 837713629 /nfs/dbraw/zinc/71/36/29/837713629.db2.gz UOVHSLIRBSVHHD-UHFFFAOYSA-N 2 2 282.388 0.669 20 0 CCADLP CCC[NH2+]CCNC(=O)Cc1c[nH+]ccc1OC ZINC001130180171 837714869 /nfs/dbraw/zinc/71/48/69/837714869.db2.gz FFOINLRJASYSJE-UHFFFAOYSA-N 2 2 251.330 0.749 20 0 CCADLP Cn1nncc1C[NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001130265993 837746527 /nfs/dbraw/zinc/74/65/27/837746527.db2.gz HJINEPDEEGIXGY-UHFFFAOYSA-N 2 2 299.338 0.211 20 0 CCADLP CCOCCC[NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130407635 837785752 /nfs/dbraw/zinc/78/57/52/837785752.db2.gz VNRPCIHKRLNUTC-ZDUSSCGKSA-N 2 2 294.399 0.578 20 0 CCADLP CC[C@H](C[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)OC ZINC001130485043 837809203 /nfs/dbraw/zinc/80/92/03/837809203.db2.gz YZPLQBNSVWEIRW-QWHCGFSZSA-N 2 2 294.399 0.576 20 0 CCADLP CC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001108343734 835980950 /nfs/dbraw/zinc/98/09/50/835980950.db2.gz YUAXSHRLZCZVNN-CQSZACIVSA-N 2 2 280.372 0.190 20 0 CCADLP CC[N@H+]1CCO[C@](C)(CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001108343734 835980958 /nfs/dbraw/zinc/98/09/58/835980958.db2.gz YUAXSHRLZCZVNN-CQSZACIVSA-N 2 2 280.372 0.190 20 0 CCADLP CCC(=O)Nc1cc(-n2nc(CC[NH3+])nc2C)cc[nH+]1 ZINC001168991359 836092722 /nfs/dbraw/zinc/09/27/22/836092722.db2.gz JKGKBNCCRXURMX-UHFFFAOYSA-N 2 2 274.328 0.820 20 0 CCADLP [NH3+][C@@H](CO)Cc1cncn1-c1c[nH+]c2c(c1)CCCN2 ZINC001169076740 836116796 /nfs/dbraw/zinc/11/67/96/836116796.db2.gz WPAUUIIDYJXBOF-LLVKDONJSA-N 2 2 273.340 0.266 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncc2ccc(F)cc2n1 ZINC001169067345 836122991 /nfs/dbraw/zinc/12/29/91/836122991.db2.gz QNYJNMODLUAKRT-LLVKDONJSA-N 2 2 287.298 0.817 20 0 CCADLP COc1cc(Cl)nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169067453 836123880 /nfs/dbraw/zinc/12/38/80/836123880.db2.gz TYEVBDJXPHQFTO-SSDOTTSWSA-N 2 2 283.719 0.186 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1c[nH+]cc2cc[nH]c21 ZINC001169073454 836127560 /nfs/dbraw/zinc/12/75/60/836127560.db2.gz HXOAZOBUEHYVGL-SNVBAGLBSA-N 3 2 257.297 0.611 20 0 CCADLP CC(=O)Nc1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c(C)n1 ZINC001169075807 836131163 /nfs/dbraw/zinc/13/11/63/836131163.db2.gz YHMODJKRSDLRNB-LLVKDONJSA-N 2 2 289.339 0.396 20 0 CCADLP Cc1oncc1C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169204070 836158946 /nfs/dbraw/zinc/15/89/46/836158946.db2.gz GVLANTXFWPGCLX-UHFFFAOYSA-N 2 2 277.328 0.545 20 0 CCADLP CCO[C@@H](C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001169211566 836159659 /nfs/dbraw/zinc/15/96/59/836159659.db2.gz GCMISBHZYFFKPC-ZDUSSCGKSA-N 2 2 294.399 0.863 20 0 CCADLP COCCCCC[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169212405 836161675 /nfs/dbraw/zinc/16/16/75/836161675.db2.gz RWVUNYHISYZTPL-UHFFFAOYSA-N 2 2 282.388 0.865 20 0 CCADLP CC[NH+]1CCC([NH2+]CCNC(=O)C(F)(F)F)CC1 ZINC001169222012 836162132 /nfs/dbraw/zinc/16/21/32/836162132.db2.gz VROZRZLYMCZPDY-UHFFFAOYSA-N 2 2 267.295 0.739 20 0 CCADLP C[NH+](C)CCCCC(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001184060793 844150446 /nfs/dbraw/zinc/15/04/46/844150446.db2.gz RIWUSGVRLGXHRO-GFCCVEGCSA-N 2 2 268.361 0.161 20 0 CCADLP C[NH+](C)CCCCC(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001184060793 844150450 /nfs/dbraw/zinc/15/04/50/844150450.db2.gz RIWUSGVRLGXHRO-GFCCVEGCSA-N 2 2 268.361 0.161 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNc1ccc(OC2C[NH2+]C2)cn1 ZINC001169659420 836413703 /nfs/dbraw/zinc/41/37/03/836413703.db2.gz FTUFCKZYEMOCMZ-NSHDSACASA-N 2 2 278.356 0.175 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNc1ccc(OC2C[NH2+]C2)cn1 ZINC001169659420 836413709 /nfs/dbraw/zinc/41/37/09/836413709.db2.gz FTUFCKZYEMOCMZ-NSHDSACASA-N 2 2 278.356 0.175 20 0 CCADLP Cc1nc(N(C)C[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001108969833 836587400 /nfs/dbraw/zinc/58/74/00/836587400.db2.gz WAQFFLHCRMGVMN-AAEUAGOBSA-N 2 2 291.399 0.678 20 0 CCADLP Cc1nc(N(C)C[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001108969833 836587409 /nfs/dbraw/zinc/58/74/09/836587409.db2.gz WAQFFLHCRMGVMN-AAEUAGOBSA-N 2 2 291.399 0.678 20 0 CCADLP Cc1nc(N(C)C[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001108969836 836587684 /nfs/dbraw/zinc/58/76/84/836587684.db2.gz WAQFFLHCRMGVMN-WCQYABFASA-N 2 2 291.399 0.678 20 0 CCADLP Cc1nc(N(C)C[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001108969836 836587694 /nfs/dbraw/zinc/58/76/94/836587694.db2.gz WAQFFLHCRMGVMN-WCQYABFASA-N 2 2 291.399 0.678 20 0 CCADLP Cc1nc(N(C)C[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001108969837 836588153 /nfs/dbraw/zinc/58/81/53/836588153.db2.gz WAQFFLHCRMGVMN-YPMHNXCESA-N 2 2 291.399 0.678 20 0 CCADLP Cc1nc(N(C)C[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001108969837 836588162 /nfs/dbraw/zinc/58/81/62/836588162.db2.gz WAQFFLHCRMGVMN-YPMHNXCESA-N 2 2 291.399 0.678 20 0 CCADLP C[C@H](O)CCC[NH+]1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001112961766 836979413 /nfs/dbraw/zinc/97/94/13/836979413.db2.gz NGOSXSWBKXLJKI-AWEZNQCLSA-N 2 2 297.443 0.776 20 0 CCADLP CCCN(CCOC)C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001157486565 837042623 /nfs/dbraw/zinc/04/26/23/837042623.db2.gz YIRHQLUBSRYMIR-LLVKDONJSA-N 2 2 254.334 0.165 20 0 CCADLP CCOCCC[NH+]1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001113538205 837151324 /nfs/dbraw/zinc/15/13/24/837151324.db2.gz CAHYLZOETMJQGC-UHFFFAOYSA-N 2 2 294.399 0.533 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N1CC[NH+](CCOCC2CC2)CC1 ZINC001113688062 837200291 /nfs/dbraw/zinc/20/02/91/837200291.db2.gz ZROZMFPNRJIXFH-UHFFFAOYSA-N 2 2 297.443 0.897 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](CCOCC2CC2)CC1 ZINC001113688062 837200298 /nfs/dbraw/zinc/20/02/98/837200298.db2.gz ZROZMFPNRJIXFH-UHFFFAOYSA-N 2 2 297.443 0.897 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001184709947 844276229 /nfs/dbraw/zinc/27/62/29/844276229.db2.gz KITFSVWOFOMZTG-GFCCVEGCSA-N 2 2 266.345 0.110 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)C23CCC[NH+]2CCC3)o1 ZINC001130805911 837930482 /nfs/dbraw/zinc/93/04/82/837930482.db2.gz SWZFQUAEJWFBIR-UHFFFAOYSA-N 2 2 292.383 0.817 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCCC(C)(C)[NH3+] ZINC000887278651 838000102 /nfs/dbraw/zinc/00/01/02/838000102.db2.gz JXQQODAAUDOZAB-JTQLQIEISA-N 2 2 253.350 0.698 20 0 CCADLP Cc1cnc([C@H](C)[NH2+]CCNC(=O)Cn2c[nH+]cc2C)o1 ZINC001131380146 838075319 /nfs/dbraw/zinc/07/53/19/838075319.db2.gz DIFZGOCHHLTZIU-LBPRGKRZSA-N 2 2 291.355 0.955 20 0 CCADLP C[C@H](Nc1[nH+]cnc2[nH]cc(F)c21)[C@H]1C[NH2+]CCO1 ZINC001170558858 838078940 /nfs/dbraw/zinc/07/89/40/838078940.db2.gz RSNYIRFNJVQZLD-IONNQARKSA-N 2 2 265.292 0.886 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]C[C@@H]1CCOC1 ZINC001131656805 838171429 /nfs/dbraw/zinc/17/14/29/838171429.db2.gz ZVOPPLZRGMPVOJ-LBPRGKRZSA-N 2 2 280.372 0.095 20 0 CCADLP CC(C)[NH2+]CCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001131824968 838235293 /nfs/dbraw/zinc/23/52/93/838235293.db2.gz JKXJJGMANQNTJF-CQSZACIVSA-N 2 2 283.416 0.602 20 0 CCADLP CC(C)[NH2+]CCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001131824968 838235301 /nfs/dbraw/zinc/23/53/01/838235301.db2.gz JKXJJGMANQNTJF-CQSZACIVSA-N 2 2 283.416 0.602 20 0 CCADLP O=C(NCC[NH2+]CCO)c1ccc(-n2cc[nH+]c2)cc1 ZINC001131975769 838278992 /nfs/dbraw/zinc/27/89/92/838278992.db2.gz DXKZDZRISLFXIG-UHFFFAOYSA-N 2 2 274.324 0.184 20 0 CCADLP CC(C)(C(=O)NCC[NH2+]Cc1ncccn1)[NH+]1CCCC1 ZINC001132284097 838350723 /nfs/dbraw/zinc/35/07/23/838350723.db2.gz VXTAXEZMFKGWFM-UHFFFAOYSA-N 2 2 291.399 0.557 20 0 CCADLP O=C(NCC[NH2+]CCF)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001132783987 838493580 /nfs/dbraw/zinc/49/35/80/838493580.db2.gz DJMKFLILNFHUCV-CYBMUJFWSA-N 2 2 287.379 0.305 20 0 CCADLP O=C(NCC[NH2+]CCF)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001132783987 838493586 /nfs/dbraw/zinc/49/35/86/838493586.db2.gz DJMKFLILNFHUCV-CYBMUJFWSA-N 2 2 287.379 0.305 20 0 CCADLP C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C[NH2+]CCO ZINC001132874421 838511830 /nfs/dbraw/zinc/51/18/30/838511830.db2.gz HWDOVRZLLYZPBV-STQMWFEESA-N 2 2 294.399 0.409 20 0 CCADLP C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C[NH2+]CCO ZINC001132874421 838511832 /nfs/dbraw/zinc/51/18/32/838511832.db2.gz HWDOVRZLLYZPBV-STQMWFEESA-N 2 2 294.399 0.409 20 0 CCADLP C[NH+](C)CCCC(=O)NCC[NH2+]Cc1nnc(C2CC2)o1 ZINC001133040252 838538288 /nfs/dbraw/zinc/53/82/88/838538288.db2.gz ICBQNRZCTWDYHW-UHFFFAOYSA-N 2 2 295.387 0.495 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C)c1ncccn1 ZINC001133823777 838725384 /nfs/dbraw/zinc/72/53/84/838725384.db2.gz OKMMOUSSBOVKEQ-OLZOCXBDSA-N 2 2 291.399 0.728 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C)c1ncccn1 ZINC001133823777 838725387 /nfs/dbraw/zinc/72/53/87/838725387.db2.gz OKMMOUSSBOVKEQ-OLZOCXBDSA-N 2 2 291.399 0.728 20 0 CCADLP C[C@@H]1CCC[N@@H+]1CC(=O)NCC[NH2+]Cc1cnsn1 ZINC001133823514 838727766 /nfs/dbraw/zinc/72/77/66/838727766.db2.gz IDBYOQGPSSUPEP-SNVBAGLBSA-N 2 2 283.401 0.228 20 0 CCADLP C[C@@H]1CCC[N@H+]1CC(=O)NCC[NH2+]Cc1cnsn1 ZINC001133823514 838727777 /nfs/dbraw/zinc/72/77/77/838727777.db2.gz IDBYOQGPSSUPEP-SNVBAGLBSA-N 2 2 283.401 0.228 20 0 CCADLP Cc1nonc1C[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133833645 838733170 /nfs/dbraw/zinc/73/31/70/838733170.db2.gz BGSGYVVZDLVJIP-JTQLQIEISA-N 2 2 281.360 0.068 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)C[N@H+]2CC[C@H](C)C2)oc1C ZINC001133854026 838740518 /nfs/dbraw/zinc/74/05/18/838740518.db2.gz VWQSWQIPMOJZKY-NSHDSACASA-N 2 2 294.399 0.839 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)C[N@@H+]2CC[C@H](C)C2)oc1C ZINC001133854026 838740526 /nfs/dbraw/zinc/74/05/26/838740526.db2.gz VWQSWQIPMOJZKY-NSHDSACASA-N 2 2 294.399 0.839 20 0 CCADLP C[NH+](C)CC1(C(=O)N2CC[C@@H]([NH2+]Cc3cnon3)C2)CC1 ZINC001185229333 844366735 /nfs/dbraw/zinc/36/67/35/844366735.db2.gz BFQJKSHCTZLDKI-LLVKDONJSA-N 2 2 293.371 0.102 20 0 CCADLP O=C(NC[C@H]1CC[C@@H]([NH2+]CCO)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001086722789 838987361 /nfs/dbraw/zinc/98/73/61/838987361.db2.gz ZHIBUAHZCBSWHK-UMSGYPCISA-N 2 2 292.383 0.380 20 0 CCADLP O=C(NC[C@H]1CC[C@@H]([NH2+]CCO)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001086722789 838987373 /nfs/dbraw/zinc/98/73/73/838987373.db2.gz ZHIBUAHZCBSWHK-UMSGYPCISA-N 2 2 292.383 0.380 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]Cc1cnn(C)c1 ZINC001135075498 839150876 /nfs/dbraw/zinc/15/08/76/839150876.db2.gz MLCWMWYZWMUFOB-NSHDSACASA-N 2 2 290.371 0.228 20 0 CCADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C[NH2+]CCF ZINC001185380093 844406274 /nfs/dbraw/zinc/40/62/74/844406274.db2.gz IRQAQFDFDKYPFV-RYUDHWBXSA-N 2 2 282.363 0.996 20 0 CCADLP [NH3+]CCC(=O)NCCc1c[nH+]cn1[C@@H]1CCCOCC1 ZINC001170791203 839158327 /nfs/dbraw/zinc/15/83/27/839158327.db2.gz BBFITTHNFPAAKB-GFCCVEGCSA-N 2 2 280.372 0.632 20 0 CCADLP Cc1cccn2cc(CC(=O)NCC[NH2+]C[C@@H](C)O)[nH+]c12 ZINC001135310150 839207201 /nfs/dbraw/zinc/20/72/01/839207201.db2.gz UTJFXCHVDKPAPA-GFCCVEGCSA-N 2 2 290.367 0.272 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001135508109 839264888 /nfs/dbraw/zinc/26/48/88/839264888.db2.gz GIQFLUSQMQAMCG-UHFFFAOYSA-N 2 2 268.361 0.531 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001245976047 839576585 /nfs/dbraw/zinc/57/65/85/839576585.db2.gz BEPJIOMBXOSWMZ-UPJWGTAASA-N 3 2 257.422 0.571 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N[C@]2(C)CC[NH2+]C2)C[NH2+]1 ZINC001246096611 839609940 /nfs/dbraw/zinc/60/99/40/839609940.db2.gz LGQCMQTXIOXPMI-UHIISALHSA-N 2 2 269.389 0.400 20 0 CCADLP CCCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001090600493 839667528 /nfs/dbraw/zinc/66/75/28/839667528.db2.gz LFRYPEYWHQRUJS-CHWSQXEVSA-N 2 2 280.372 0.304 20 0 CCADLP CCCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001090600493 839667535 /nfs/dbraw/zinc/66/75/35/839667535.db2.gz LFRYPEYWHQRUJS-CHWSQXEVSA-N 2 2 280.372 0.304 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[N@@H+](CCC2CC2)C[C@@H]1O ZINC001090677804 839732724 /nfs/dbraw/zinc/73/27/24/839732724.db2.gz BJXCZXUHCKQVLP-STQMWFEESA-N 2 2 292.383 0.304 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[N@H+](CCC2CC2)C[C@@H]1O ZINC001090677804 839732734 /nfs/dbraw/zinc/73/27/34/839732734.db2.gz BJXCZXUHCKQVLP-STQMWFEESA-N 2 2 292.383 0.304 20 0 CCADLP CC1(C)CC([NH2+][C@H]2C[NH2+]C[C@@H]2CO)CC(C)(C)N1O ZINC001246306506 839777975 /nfs/dbraw/zinc/77/79/75/839777975.db2.gz KPXLMWNIPPRGRO-PWSUYJOCSA-N 2 2 271.405 0.567 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+](CCC2CC2)C[C@@H]1O ZINC001090847239 839850439 /nfs/dbraw/zinc/85/04/39/839850439.db2.gz PUHXPYFNDXMIGC-KBPBESRZSA-N 2 2 292.383 0.235 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+](CCC2CC2)C[C@@H]1O ZINC001090847239 839850446 /nfs/dbraw/zinc/85/04/46/839850446.db2.gz PUHXPYFNDXMIGC-KBPBESRZSA-N 2 2 292.383 0.235 20 0 CCADLP C[C@H]1CC[C@@H](C[NH2+]CCCNC(=O)Cc2c[nH+]cn2C)O1 ZINC001171238940 840179186 /nfs/dbraw/zinc/17/91/86/840179186.db2.gz TWCNDSGWIRKEAX-JSGCOSHPSA-N 2 2 294.399 0.626 20 0 CCADLP O=C(N1CCC2(C[C@H](F)CO2)CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160789583 840227401 /nfs/dbraw/zinc/22/74/01/840227401.db2.gz XWIZVBZGFBKULF-SLEUVZQESA-N 2 2 297.374 0.058 20 0 CCADLP CC(C)[NH+]1CCC(C(=O)NCC[NH2+]Cc2cnon2)CC1 ZINC001146383391 840296670 /nfs/dbraw/zinc/29/66/70/840296670.db2.gz GGJWBZAJDRKZOZ-UHFFFAOYSA-N 2 2 295.387 0.396 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CCF)C[C@@]3(C)C2)C1 ZINC001091565589 840317026 /nfs/dbraw/zinc/31/70/26/840317026.db2.gz RGXSUZHINDFYML-NFAWXSAZSA-N 2 2 299.390 0.067 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](CCF)C[C@@]3(C)C2)C1 ZINC001091565589 840317042 /nfs/dbraw/zinc/31/70/42/840317042.db2.gz RGXSUZHINDFYML-NFAWXSAZSA-N 2 2 299.390 0.067 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](CCF)C[C@@]3(C)C2)C1 ZINC001091565589 840317053 /nfs/dbraw/zinc/31/70/53/840317053.db2.gz RGXSUZHINDFYML-NFAWXSAZSA-N 2 2 299.390 0.067 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](CCF)C[C@@]3(C)C2)C1 ZINC001091565589 840317068 /nfs/dbraw/zinc/31/70/68/840317068.db2.gz RGXSUZHINDFYML-NFAWXSAZSA-N 2 2 299.390 0.067 20 0 CCADLP CC[N@H+](C)CCC(=O)NCC[NH2+]Cc1nc(C)c(C)o1 ZINC001146718893 840354672 /nfs/dbraw/zinc/35/46/72/840354672.db2.gz KEPDIIOYZHEPDS-UHFFFAOYSA-N 2 2 282.388 0.839 20 0 CCADLP CC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1nc(C)c(C)o1 ZINC001146718893 840354681 /nfs/dbraw/zinc/35/46/81/840354681.db2.gz KEPDIIOYZHEPDS-UHFFFAOYSA-N 2 2 282.388 0.839 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]Cc1ccns1 ZINC001149123512 840429912 /nfs/dbraw/zinc/42/99/12/840429912.db2.gz KCTYWRZOEMLISL-UHFFFAOYSA-N 2 2 279.369 0.623 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CCOCC(F)F ZINC001149124934 840638429 /nfs/dbraw/zinc/63/84/29/840638429.db2.gz XTOWNRHGWZWGTF-UHFFFAOYSA-N 2 2 290.314 0.248 20 0 CCADLP CCc1noc(C[NH2+]CCNC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001147891543 840704130 /nfs/dbraw/zinc/70/41/30/840704130.db2.gz CBIIRKSCZAMYAP-LLVKDONJSA-N 2 2 295.387 0.180 20 0 CCADLP CCc1noc(C[NH2+]CCNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001147891543 840704136 /nfs/dbraw/zinc/70/41/36/840704136.db2.gz CBIIRKSCZAMYAP-LLVKDONJSA-N 2 2 295.387 0.180 20 0 CCADLP C[C@@H]1C[C@@H](C[NH2+]CCNC(=O)Cc2c[nH+]cn2C)CCO1 ZINC001147871861 840708103 /nfs/dbraw/zinc/70/81/03/840708103.db2.gz PIPDRRYMXFVNEM-OLZOCXBDSA-N 2 2 294.399 0.484 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CC1CCOCC1 ZINC001147878139 840713178 /nfs/dbraw/zinc/71/31/78/840713178.db2.gz TYSZTZYVBMPKTB-UHFFFAOYSA-N 2 2 280.372 0.095 20 0 CCADLP CCO[C@H](C[NH2+]CCNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001147878245 840714772 /nfs/dbraw/zinc/71/47/72/840714772.db2.gz WHWOBPPKBTWELX-CQSZACIVSA-N 2 2 294.399 0.484 20 0 CCADLP C([C@H]1CC2(CO1)CCOCC2)[N@@H+]1CCC[NH2+]CC1 ZINC000712690537 841101409 /nfs/dbraw/zinc/10/14/09/841101409.db2.gz NVSULTJZFUJBDC-CYBMUJFWSA-N 2 2 254.374 0.867 20 0 CCADLP C([C@H]1CC2(CO1)CCOCC2)[N@H+]1CCC[NH2+]CC1 ZINC000712690537 841101412 /nfs/dbraw/zinc/10/14/12/841101412.db2.gz NVSULTJZFUJBDC-CYBMUJFWSA-N 2 2 254.374 0.867 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CC(=O)N(CC2CC2)C1 ZINC000716773249 841680476 /nfs/dbraw/zinc/68/04/76/841680476.db2.gz MVGXXVUSZITTTO-KWCYVHTRSA-N 2 2 281.400 0.354 20 0 CCADLP C[C@@H](CCCC[NH2+]CCO)NC(=O)CCc1[nH+]ccn1C ZINC001171896731 841772545 /nfs/dbraw/zinc/77/25/45/841772545.db2.gz UBVAQKNLSUFSEM-ZDUSSCGKSA-N 2 2 296.415 0.610 20 0 CCADLP CCOC(=O)[C@H](CCC[NH3+])[NH2+]C1C[C@@H]2COC[C@H](C1)N2C ZINC001172124335 841855235 /nfs/dbraw/zinc/85/52/35/841855235.db2.gz GEBCOMNPHMRSNU-GSPSYOTPSA-N 2 2 299.415 0.108 20 0 CCADLP COCCC[NH+]1CCC([N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)CC1 ZINC001172253057 841911942 /nfs/dbraw/zinc/91/19/42/841911942.db2.gz AUBGPRHGGTVHJE-ZFWWWQNUSA-N 2 2 295.427 0.555 20 0 CCADLP COCCC[NH+]1CCC([N@H+]2CC[C@H]3CNC(=O)[C@H]3C2)CC1 ZINC001172253057 841911945 /nfs/dbraw/zinc/91/19/45/841911945.db2.gz AUBGPRHGGTVHJE-ZFWWWQNUSA-N 2 2 295.427 0.555 20 0 CCADLP CCOCC[C@@H](C)n1c[nH+]cc1CCNC(=O)CC[NH3+] ZINC001172418617 841926962 /nfs/dbraw/zinc/92/69/62/841926962.db2.gz FQCUGAUCZMNYNB-GFCCVEGCSA-N 2 2 282.388 0.878 20 0 CCADLP [NH3+][C@H]1CC[N@H+](Cc2cnc3n2CC[NH2+]CC3)CC[C@H]1F ZINC001206165281 841935056 /nfs/dbraw/zinc/93/50/56/841935056.db2.gz NDFYVIBMOBHUAV-OLZOCXBDSA-N 3 2 281.379 0.290 20 0 CCADLP [NH3+][C@H]1CC[N@@H+](Cc2cnc3n2CC[NH2+]CC3)CC[C@H]1F ZINC001206165281 841935065 /nfs/dbraw/zinc/93/50/65/841935065.db2.gz NDFYVIBMOBHUAV-OLZOCXBDSA-N 3 2 281.379 0.290 20 0 CCADLP COC(=O)[C@H]1CCC[C@H](NC(=[NH2+])N2CC[NH+](C)CC2)CC1 ZINC001172769179 841971727 /nfs/dbraw/zinc/97/17/27/841971727.db2.gz APDUDJFNVFJBQE-STQMWFEESA-N 2 2 296.415 0.880 20 0 CCADLP C[NH+]1CCC(CO)([NH2+][C@@H]2CCC[C@H](n3ncnn3)C2)CC1 ZINC001173749841 842146610 /nfs/dbraw/zinc/14/66/10/842146610.db2.gz LTCDSMMJLNRIBP-OLZOCXBDSA-N 2 2 294.403 0.203 20 0 CCADLP Cn1cc[nH+]c1CC[NH2+][C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173755584 842150951 /nfs/dbraw/zinc/15/09/51/842150951.db2.gz ZUMOSXPAMICRTK-RYUDHWBXSA-N 2 2 275.360 0.723 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]C[C@H]1CCCOC1 ZINC001174682715 842198988 /nfs/dbraw/zinc/19/89/88/842198988.db2.gz LBOUNQCVLWSKIN-CYBMUJFWSA-N 2 2 294.399 0.783 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]Cc1ccccn1 ZINC001174682582 842199529 /nfs/dbraw/zinc/19/95/29/842199529.db2.gz JKVWMOWPGWZKHD-UHFFFAOYSA-N 2 2 287.367 0.952 20 0 CCADLP COCCC[NH2+]CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001174683687 842199843 /nfs/dbraw/zinc/19/98/43/842199843.db2.gz UIVHCTWKUKZOHE-UHFFFAOYSA-N 2 2 268.361 0.393 20 0 CCADLP C[C@@H](CCCC[NH2+]CCCO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175880806 842289465 /nfs/dbraw/zinc/28/94/65/842289465.db2.gz DZROQGCOJIQWRH-LBPRGKRZSA-N 2 2 282.388 0.599 20 0 CCADLP CNC(=O)N[C@@H]1CCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC001176121212 842331888 /nfs/dbraw/zinc/33/18/88/842331888.db2.gz FRGMRDRVLHPRNP-LLVKDONJSA-N 2 2 265.361 0.356 20 0 CCADLP CNC(=O)N[C@@H]1CCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC001176121212 842331901 /nfs/dbraw/zinc/33/19/01/842331901.db2.gz FRGMRDRVLHPRNP-LLVKDONJSA-N 2 2 265.361 0.356 20 0 CCADLP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)CCn2cc[nH+]c2)O1 ZINC001176883025 842439145 /nfs/dbraw/zinc/43/91/45/842439145.db2.gz BHURWXOVQXFBRC-BZPMIXESSA-N 2 2 296.371 0.114 20 0 CCADLP C[NH+](C)[C@@H](C(=O)NCCC[NH2+]CCF)c1cccnc1 ZINC001177063933 842498640 /nfs/dbraw/zinc/49/86/40/842498640.db2.gz GYDMNERKPCOIBS-CYBMUJFWSA-N 2 2 282.363 0.750 20 0 CCADLP Cc1ncc(C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)cn1 ZINC001177405300 842578427 /nfs/dbraw/zinc/57/84/27/842578427.db2.gz MOQYVMJGWJJCBS-UHFFFAOYSA-N 2 2 288.355 0.278 20 0 CCADLP CN(CC(=O)N1CCOC[C@H]1C[NH+](C)C)c1cccc[nH+]1 ZINC001177412831 842586376 /nfs/dbraw/zinc/58/63/76/842586376.db2.gz VBDINXUUKNXHGG-CYBMUJFWSA-N 2 2 292.383 0.307 20 0 CCADLP CCc1[nH+]ccn1CCNC(=O)[C@@H]1CC[N@H+]1CC ZINC001177514739 842618936 /nfs/dbraw/zinc/61/89/36/842618936.db2.gz SENQTMYRXJFKEZ-NSHDSACASA-N 2 2 250.346 0.656 20 0 CCADLP CCc1[nH+]ccn1CCNC(=O)[C@@H]1CC[N@@H+]1CC ZINC001177514739 842618940 /nfs/dbraw/zinc/61/89/40/842618940.db2.gz SENQTMYRXJFKEZ-NSHDSACASA-N 2 2 250.346 0.656 20 0 CCADLP N=C(NC(=O)[C@H]1CCC[N@@H+]1Cc1ccco1)SCC[NH3+] ZINC001177628282 842640433 /nfs/dbraw/zinc/64/04/33/842640433.db2.gz OBXGGZPZXNEDML-LLVKDONJSA-N 2 2 296.396 0.987 20 0 CCADLP N=C(NC(=O)[C@H]1CCC[N@H+]1Cc1ccco1)SCC[NH3+] ZINC001177628282 842640440 /nfs/dbraw/zinc/64/04/40/842640440.db2.gz OBXGGZPZXNEDML-LLVKDONJSA-N 2 2 296.396 0.987 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001179257757 842980974 /nfs/dbraw/zinc/98/09/74/842980974.db2.gz HCGNSXNZNXAQMD-RDBSUJKOSA-N 2 2 294.399 0.887 20 0 CCADLP COc1cnccc1C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001206437872 843379136 /nfs/dbraw/zinc/37/91/36/843379136.db2.gz DJYBNJHMWHXBHF-UHFFFAOYSA-N 2 2 278.400 0.769 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CCNC(=O)Cc1cc[nH+]c(N)c1 ZINC001181264084 843438562 /nfs/dbraw/zinc/43/85/62/843438562.db2.gz HKPOJKXKZLVNRF-GFCCVEGCSA-N 2 2 262.357 0.807 20 0 CCADLP C[N@H+]1CCC[C@@H]1CCNC(=O)Cc1cc[nH+]c(N)c1 ZINC001181264084 843438566 /nfs/dbraw/zinc/43/85/66/843438566.db2.gz HKPOJKXKZLVNRF-GFCCVEGCSA-N 2 2 262.357 0.807 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)C1 ZINC001181981164 843660221 /nfs/dbraw/zinc/66/02/21/843660221.db2.gz ATFHBYAKWAAEPV-DGCLKSJQSA-N 2 2 280.372 0.160 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)C1 ZINC001181981164 843660197 /nfs/dbraw/zinc/66/01/97/843660197.db2.gz ATFHBYAKWAAEPV-DGCLKSJQSA-N 2 2 280.372 0.160 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)C1 ZINC001181981164 843660206 /nfs/dbraw/zinc/66/02/06/843660206.db2.gz ATFHBYAKWAAEPV-DGCLKSJQSA-N 2 2 280.372 0.160 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)C1 ZINC001181981164 843660215 /nfs/dbraw/zinc/66/02/15/843660215.db2.gz ATFHBYAKWAAEPV-DGCLKSJQSA-N 2 2 280.372 0.160 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)C1(C)CC[NH+](C)CC1 ZINC001181989920 843664532 /nfs/dbraw/zinc/66/45/32/843664532.db2.gz CFSNFIDMGPPXBB-UHFFFAOYSA-N 2 2 294.399 0.878 20 0 CCADLP C[NH+]1CCC([NH2+][C@H]2C[C@H]3CCCCN3C2=O)CC1 ZINC001182202654 843753998 /nfs/dbraw/zinc/75/39/98/843753998.db2.gz CJIFYUHMKNTVBQ-OLZOCXBDSA-N 2 2 251.374 0.824 20 0 CCADLP COCCCC[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001182220752 843757408 /nfs/dbraw/zinc/75/74/08/843757408.db2.gz QBYRCDDMFKMBSY-CYBMUJFWSA-N 2 2 294.399 0.959 20 0 CCADLP COc1ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1F ZINC001206512087 843819289 /nfs/dbraw/zinc/81/92/89/843819289.db2.gz IQOASYWQSWDFOL-JQWIXIFHSA-N 2 2 254.305 0.586 20 0 CCADLP COc1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1F ZINC001206512087 843819304 /nfs/dbraw/zinc/81/93/04/843819304.db2.gz IQOASYWQSWDFOL-JQWIXIFHSA-N 2 2 254.305 0.586 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@]1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001182741599 843911716 /nfs/dbraw/zinc/91/17/16/843911716.db2.gz QGKYJYOFOXHQDF-LALPHHSUSA-N 2 2 294.399 0.407 20 0 CCADLP COC[C@H](C)[NH+]1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC000076615006 845074194 /nfs/dbraw/zinc/07/41/94/845074194.db2.gz OPIBOGHOEZUASU-ZDUSSCGKSA-N 2 2 271.405 0.506 20 0 CCADLP COC[C@H](C)[NH+]1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC000076615006 845074202 /nfs/dbraw/zinc/07/42/02/845074202.db2.gz OPIBOGHOEZUASU-ZDUSSCGKSA-N 2 2 271.405 0.506 20 0 CCADLP COCCC[N@H+](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001190546481 845424646 /nfs/dbraw/zinc/42/46/46/845424646.db2.gz JLAKYEPAUAAJQB-AWEZNQCLSA-N 2 2 294.399 0.912 20 0 CCADLP COCCC[N@@H+](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001190546481 845424648 /nfs/dbraw/zinc/42/46/48/845424648.db2.gz JLAKYEPAUAAJQB-AWEZNQCLSA-N 2 2 294.399 0.912 20 0 CCADLP COCCC[N@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001190546481 845424653 /nfs/dbraw/zinc/42/46/53/845424653.db2.gz JLAKYEPAUAAJQB-AWEZNQCLSA-N 2 2 294.399 0.912 20 0 CCADLP COCCC[N@@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001190546481 845424656 /nfs/dbraw/zinc/42/46/56/845424656.db2.gz JLAKYEPAUAAJQB-AWEZNQCLSA-N 2 2 294.399 0.912 20 0 CCADLP C[N@H+](CCCO)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001190753589 845490386 /nfs/dbraw/zinc/49/03/86/845490386.db2.gz DSULQUJAQSJOKJ-YNEHKIRRSA-N 2 2 292.383 0.428 20 0 CCADLP C[N@@H+](CCCO)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001190753589 845490392 /nfs/dbraw/zinc/49/03/92/845490392.db2.gz DSULQUJAQSJOKJ-YNEHKIRRSA-N 2 2 292.383 0.428 20 0 CCADLP C[N@H+](CCCO)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001190753589 845490400 /nfs/dbraw/zinc/49/04/00/845490400.db2.gz DSULQUJAQSJOKJ-YNEHKIRRSA-N 2 2 292.383 0.428 20 0 CCADLP C[N@@H+](CCCO)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001190753589 845490405 /nfs/dbraw/zinc/49/04/05/845490405.db2.gz DSULQUJAQSJOKJ-YNEHKIRRSA-N 2 2 292.383 0.428 20 0 CCADLP CC(C)OCC[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192560585 845869980 /nfs/dbraw/zinc/86/99/80/845869980.db2.gz QMOZCPUNOKTGPB-CQSZACIVSA-N 2 2 294.399 0.910 20 0 CCADLP CC(C)OCC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192560585 845869987 /nfs/dbraw/zinc/86/99/87/845869987.db2.gz QMOZCPUNOKTGPB-CQSZACIVSA-N 2 2 294.399 0.910 20 0 CCADLP COCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001192767213 845904762 /nfs/dbraw/zinc/90/47/62/845904762.db2.gz OMOCNBOLTYICDV-TZMCWYRMSA-N 2 2 294.399 0.767 20 0 CCADLP COCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001192767213 845904772 /nfs/dbraw/zinc/90/47/72/845904772.db2.gz OMOCNBOLTYICDV-TZMCWYRMSA-N 2 2 294.399 0.767 20 0 CCADLP COCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001192767213 845904781 /nfs/dbraw/zinc/90/47/81/845904781.db2.gz OMOCNBOLTYICDV-TZMCWYRMSA-N 2 2 294.399 0.767 20 0 CCADLP COCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001192767213 845904787 /nfs/dbraw/zinc/90/47/87/845904787.db2.gz OMOCNBOLTYICDV-TZMCWYRMSA-N 2 2 294.399 0.767 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1O ZINC001195128367 846467790 /nfs/dbraw/zinc/46/77/90/846467790.db2.gz HHUMRTQCJTYLOY-ZIAGYGMSSA-N 2 2 292.383 0.235 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1O ZINC001195128367 846467793 /nfs/dbraw/zinc/46/77/93/846467793.db2.gz HHUMRTQCJTYLOY-ZIAGYGMSSA-N 2 2 292.383 0.235 20 0 CCADLP CCC[NH2+]C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CCCO1 ZINC001200366905 847615811 /nfs/dbraw/zinc/61/58/11/847615811.db2.gz KBPDRURLCGGUBY-ZDUSSCGKSA-N 2 2 294.399 0.959 20 0 CCADLP CCCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCCO1 ZINC001202218297 847868948 /nfs/dbraw/zinc/86/89/48/847868948.db2.gz XEWPQNGHPGAMHT-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CCO[C@@H]1CC1(F)F ZINC001153495927 848011827 /nfs/dbraw/zinc/01/18/27/848011827.db2.gz RABHHEIQTHHZON-SNVBAGLBSA-N 2 2 288.298 0.013 20 0 CCADLP COCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]c[nH+]1 ZINC001114386865 848032343 /nfs/dbraw/zinc/03/23/43/848032343.db2.gz HODBHEZCETWZIJ-NHAGDIPZSA-N 2 2 292.383 0.425 20 0 CCADLP COCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]c[nH+]1 ZINC001114386865 848032352 /nfs/dbraw/zinc/03/23/52/848032352.db2.gz HODBHEZCETWZIJ-NHAGDIPZSA-N 2 2 292.383 0.425 20 0 CCADLP COCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]c[nH]1 ZINC001114386865 848032362 /nfs/dbraw/zinc/03/23/62/848032362.db2.gz HODBHEZCETWZIJ-NHAGDIPZSA-N 2 2 292.383 0.425 20 0 CCADLP COCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]c[nH]1 ZINC001114386865 848032364 /nfs/dbraw/zinc/03/23/64/848032364.db2.gz HODBHEZCETWZIJ-NHAGDIPZSA-N 2 2 292.383 0.425 20 0 CCADLP CO[C@H](C)C[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001202667022 848206146 /nfs/dbraw/zinc/20/61/46/848206146.db2.gz FIVYQXSBSVNNLY-LLVKDONJSA-N 2 2 280.372 0.568 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000717298390 848225151 /nfs/dbraw/zinc/22/51/51/848225151.db2.gz TXBNRKLNUZPXBJ-CHWSQXEVSA-N 2 2 256.321 0.371 20 0 CCADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000717298394 848225314 /nfs/dbraw/zinc/22/53/14/848225314.db2.gz TXBNRKLNUZPXBJ-QWHCGFSZSA-N 2 2 256.321 0.371 20 0 CCADLP C(C[NH+]1CCOCC1)N1CC[NH+](CC2CCC2)CC1 ZINC001202740090 848274620 /nfs/dbraw/zinc/27/46/20/848274620.db2.gz RZJYBAVTMRYCCQ-UHFFFAOYSA-N 2 2 267.417 0.736 20 0 CCADLP C[NH+](C)CCC(=O)NC/C=C\C[NH2+]Cc1ccon1 ZINC001274331548 848452011 /nfs/dbraw/zinc/45/20/11/848452011.db2.gz LRKPAQIGFJDEAX-ARJAWSKDSA-N 2 2 266.345 0.388 20 0 CCADLP CC(=O)N1CCC[C@@H](C[NH+]2CC3(C2)CC[N@@H+](C)C3)C1 ZINC001274918357 848592563 /nfs/dbraw/zinc/59/25/63/848592563.db2.gz AWKYTMKUDHIOOE-AWEZNQCLSA-N 2 2 265.401 0.882 20 0 CCADLP CC(=O)N1CCC[C@@H](C[NH+]2CC3(C2)CC[N@H+](C)C3)C1 ZINC001274918357 848592573 /nfs/dbraw/zinc/59/25/73/848592573.db2.gz AWKYTMKUDHIOOE-AWEZNQCLSA-N 2 2 265.401 0.882 20 0 CCADLP CC[N@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001275078899 848629513 /nfs/dbraw/zinc/62/95/13/848629513.db2.gz CDHZFJYHOGLRFL-ZNMIVQPWSA-N 2 2 293.411 0.402 20 0 CCADLP CC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H]1CC2CC[NH+]1CC2 ZINC001275078899 848629518 /nfs/dbraw/zinc/62/95/18/848629518.db2.gz CDHZFJYHOGLRFL-ZNMIVQPWSA-N 2 2 293.411 0.402 20 0 CCADLP CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C[C@@H](C1)O2 ZINC001275079479 848629640 /nfs/dbraw/zinc/62/96/40/848629640.db2.gz NKZGIWRCEARTTE-ZNMIVQPWSA-N 2 2 293.411 0.402 20 0 CCADLP CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC4CC[NH+]3CC4)C[C@@H](C1)O2 ZINC001275079479 848629645 /nfs/dbraw/zinc/62/96/45/848629645.db2.gz NKZGIWRCEARTTE-ZNMIVQPWSA-N 2 2 293.411 0.402 20 0 CCADLP CC[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001275084992 848632520 /nfs/dbraw/zinc/63/25/20/848632520.db2.gz KNXOHBORQJSCRP-AWEZNQCLSA-N 2 2 253.390 0.882 20 0 CCADLP CC[N@H+]1CCC[C@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001275084992 848632521 /nfs/dbraw/zinc/63/25/21/848632521.db2.gz KNXOHBORQJSCRP-AWEZNQCLSA-N 2 2 253.390 0.882 20 0 CCADLP CC[NH+]1CCC[C@]2(CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001275084992 848632523 /nfs/dbraw/zinc/63/25/23/848632523.db2.gz KNXOHBORQJSCRP-AWEZNQCLSA-N 2 2 253.390 0.882 20 0 CCADLP CC[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001275084992 848632526 /nfs/dbraw/zinc/63/25/26/848632526.db2.gz KNXOHBORQJSCRP-AWEZNQCLSA-N 2 2 253.390 0.882 20 0 CCADLP c1cn(CC[N@@H+]2C[C@@H]3COC[C@H](C2)N3CC2CC2)c[nH+]1 ZINC001275138792 848647349 /nfs/dbraw/zinc/64/73/49/848647349.db2.gz YOCTYNXPMVDBNF-GASCZTMLSA-N 2 2 276.384 0.678 20 0 CCADLP c1cn(CC[N@H+]2C[C@@H]3COC[C@H](C2)N3CC2CC2)c[nH+]1 ZINC001275138792 848647352 /nfs/dbraw/zinc/64/73/52/848647352.db2.gz YOCTYNXPMVDBNF-GASCZTMLSA-N 2 2 276.384 0.678 20 0 CCADLP C[NH+](C)CCN1CCC2(C[NH+](Cc3ccncn3)C2)C1 ZINC001275224083 848670581 /nfs/dbraw/zinc/67/05/81/848670581.db2.gz SKEWRMQELQNJDX-UHFFFAOYSA-N 2 2 275.400 0.546 20 0 CCADLP C[C@H]1C[C@H]1C[N@H+]1C[C@H]2CN(CCn3cc[nH+]c3)C[C@@H](C1)O2 ZINC001276032926 848898753 /nfs/dbraw/zinc/89/87/53/848898753.db2.gz QPVYKWKYVIBOBW-YHUYYLMFSA-N 2 2 290.411 0.924 20 0 CCADLP C[C@H]1C[C@H]1C[N@@H+]1C[C@H]2CN(CCn3cc[nH+]c3)C[C@@H](C1)O2 ZINC001276032926 848898754 /nfs/dbraw/zinc/89/87/54/848898754.db2.gz QPVYKWKYVIBOBW-YHUYYLMFSA-N 2 2 290.411 0.924 20 0 CCADLP C[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4ncco4)CC3)[C@H]2C1 ZINC001276190808 848955021 /nfs/dbraw/zinc/95/50/21/848955021.db2.gz OAJMAYLHXPSJSJ-RYUDHWBXSA-N 2 2 290.367 0.317 20 0 CCADLP C[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4ncco4)CC3)[C@H]2C1 ZINC001276190808 848955027 /nfs/dbraw/zinc/95/50/27/848955027.db2.gz OAJMAYLHXPSJSJ-RYUDHWBXSA-N 2 2 290.367 0.317 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH2+]CCCN(C)C(=O)Cc2c[nH+]c[nH]2)O1 ZINC001276245896 848971081 /nfs/dbraw/zinc/97/10/81/848971081.db2.gz YTQJCOAGCSYBCS-OCCSQVGLSA-N 2 2 294.399 0.958 20 0 CCADLP CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1 ZINC001114655151 849347278 /nfs/dbraw/zinc/34/72/78/849347278.db2.gz GLTUVPLENNYVLI-NHAGDIPZSA-N 2 2 292.383 0.356 20 0 CCADLP CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1 ZINC001114655151 849347282 /nfs/dbraw/zinc/34/72/82/849347282.db2.gz GLTUVPLENNYVLI-NHAGDIPZSA-N 2 2 292.383 0.356 20 0 CCADLP CO[C@@H]1CC(=O)N(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)C1 ZINC000249298063 849371577 /nfs/dbraw/zinc/37/15/77/849371577.db2.gz NEVSDQWCOSOJRW-BFHYXJOUSA-N 2 2 281.400 0.607 20 0 CCADLP CO[C@@H]1CC(=O)N(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)C1 ZINC000249298063 849371589 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COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCO[C@@H](C)CC1 ZINC000720424446 849456690 /nfs/dbraw/zinc/45/66/90/849456690.db2.gz IRCJHYWPSRAKMS-QWHCGFSZSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCO[C@@H](C)CC1 ZINC000720424446 849456693 /nfs/dbraw/zinc/45/66/93/849456693.db2.gz IRCJHYWPSRAKMS-QWHCGFSZSA-N 2 2 260.378 0.036 20 0 CCADLP CC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1[NH2+]CCO ZINC001037948537 849611345 /nfs/dbraw/zinc/61/13/45/849611345.db2.gz JOIROAIDGOJWFO-VXGBXAGGSA-N 2 2 280.372 0.161 20 0 CCADLP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001039269470 850168370 /nfs/dbraw/zinc/16/83/70/850168370.db2.gz LFPNTSWDASUMNK-JALIKCBVSA-N 2 2 295.427 0.839 20 0 CCADLP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001039269470 850168372 /nfs/dbraw/zinc/16/83/72/850168372.db2.gz LFPNTSWDASUMNK-JALIKCBVSA-N 2 2 295.427 0.839 20 0 CCADLP CC[N@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001041713169 850489850 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CN(C(=O)Cc1c[nH+]c[nH]1)C1C[NH+](C[C@@H]2CCOC2)C1 ZINC001043976553 850975929 /nfs/dbraw/zinc/97/59/29/850975929.db2.gz RTOLGMSGBFOECO-NSHDSACASA-N 2 2 278.356 0.131 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001044182886 851035436 /nfs/dbraw/zinc/03/54/36/851035436.db2.gz LSFUOVCPTAGQHM-UONOGXRCSA-N 2 2 297.443 0.896 20 0 CCADLP CC[C@H](C[NH+]1CC(N(C)C(=O)C[NH+]2CCCC2)C1)OC ZINC001044295954 851067243 /nfs/dbraw/zinc/06/72/43/851067243.db2.gz BXAWGMWQXFNMJE-CQSZACIVSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@@H](C[NH+]1CC(N(C)C(=O)C[NH+]2CCCC2)C1)OC ZINC001044295951 851068015 /nfs/dbraw/zinc/06/80/15/851068015.db2.gz BXAWGMWQXFNMJE-AWEZNQCLSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@H]1CC[C@H](C[NH+]2CC(N(C)C(=O)C[NH+]3CCCC3)C2)O1 ZINC001044295287 851068055 /nfs/dbraw/zinc/06/80/55/851068055.db2.gz QSVMDKVZYQVDTA-DZGCQCFKSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCO)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001044578353 851126733 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C[NH+]1CCO[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](CCCF)C2)C1 ZINC001046218824 851427372 /nfs/dbraw/zinc/42/73/72/851427372.db2.gz LMFQDVXUURTIEO-OCCSQVGLSA-N 2 2 287.379 0.257 20 0 CCADLP CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001048036934 851885176 /nfs/dbraw/zinc/88/51/76/851885176.db2.gz HBCFFXJKFXQCCB-NWDGAFQWSA-N 2 2 264.373 0.809 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001048853654 852084803 /nfs/dbraw/zinc/08/48/03/852084803.db2.gz NZVOXTYZZSFIAP-RWMBFGLXSA-N 2 2 292.383 0.113 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001048853654 852084815 /nfs/dbraw/zinc/08/48/15/852084815.db2.gz NZVOXTYZZSFIAP-RWMBFGLXSA-N 2 2 292.383 0.113 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001048853654 852084824 /nfs/dbraw/zinc/08/48/24/852084824.db2.gz NZVOXTYZZSFIAP-RWMBFGLXSA-N 2 2 292.383 0.113 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001048853654 852084833 /nfs/dbraw/zinc/08/48/33/852084833.db2.gz NZVOXTYZZSFIAP-RWMBFGLXSA-N 2 2 292.383 0.113 20 0 CCADLP CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@H]2C1 ZINC001048900291 852102368 /nfs/dbraw/zinc/10/23/68/852102368.db2.gz CCTFDKCAFOLJSC-MELADBBJSA-N 2 2 288.395 0.856 20 0 CCADLP CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@H]2C1 ZINC001048900291 852102371 /nfs/dbraw/zinc/10/23/71/852102371.db2.gz CCTFDKCAFOLJSC-MELADBBJSA-N 2 2 288.395 0.856 20 0 CCADLP CC[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001050213539 852436928 /nfs/dbraw/zinc/43/69/28/852436928.db2.gz BVDGEXNHTHTDSN-QWHCGFSZSA-N 2 2 262.357 0.826 20 0 CCADLP CC[N@H+]1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001050213539 852436930 /nfs/dbraw/zinc/43/69/30/852436930.db2.gz BVDGEXNHTHTDSN-QWHCGFSZSA-N 2 2 262.357 0.826 20 0 CCADLP C[N@@H+]1CCC[C@H]([NH+]2CCO[C@@H]3C[C@H](CO)C[C@@H]32)CC1 ZINC001254518680 852619050 /nfs/dbraw/zinc/61/90/50/852619050.db2.gz CZCKYPUPQMXHHE-CBBWQLFWSA-N 2 2 268.401 0.942 20 0 CCADLP C[N@H+]1CCC[C@H]([NH+]2CCO[C@@H]3C[C@H](CO)C[C@@H]32)CC1 ZINC001254518680 852619055 /nfs/dbraw/zinc/61/90/55/852619055.db2.gz CZCKYPUPQMXHHE-CBBWQLFWSA-N 2 2 268.401 0.942 20 0 CCADLP C[NH+]1CCC[C@H]([N@@H+]2CCO[C@@H]3C[C@H](CO)C[C@@H]32)CC1 ZINC001254518680 852619060 /nfs/dbraw/zinc/61/90/60/852619060.db2.gz CZCKYPUPQMXHHE-CBBWQLFWSA-N 2 2 268.401 0.942 20 0 CCADLP C[NH+]1CCC[C@H]([N@H+]2CCO[C@@H]3C[C@H](CO)C[C@@H]32)CC1 ZINC001254518680 852619062 /nfs/dbraw/zinc/61/90/62/852619062.db2.gz CZCKYPUPQMXHHE-CBBWQLFWSA-N 2 2 268.401 0.942 20 0 CCADLP CO[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970031 852677959 /nfs/dbraw/zinc/67/79/59/852677959.db2.gz DQGMDRLYUODXJA-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP CO[C@H](C)C[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001052970031 852677961 /nfs/dbraw/zinc/67/79/61/852677961.db2.gz DQGMDRLYUODXJA-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CCO2 ZINC001053414194 852741577 /nfs/dbraw/zinc/74/15/77/852741577.db2.gz IJDKIAJWEFCBDF-CYBMUJFWSA-N 2 2 283.416 0.506 20 0 CCADLP CC(C)[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)CO2 ZINC001053846397 852831721 /nfs/dbraw/zinc/83/17/21/852831721.db2.gz DLTJFTSNDCHDRE-KBPBESRZSA-N 2 2 295.427 0.839 20 0 CCADLP CC(C)[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)CO2 ZINC001053846397 852831723 /nfs/dbraw/zinc/83/17/23/852831723.db2.gz DLTJFTSNDCHDRE-KBPBESRZSA-N 2 2 295.427 0.839 20 0 CCADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)CO2 ZINC001053926340 852848971 /nfs/dbraw/zinc/84/89/71/852848971.db2.gz DOZXCZURDNGPEA-QWHCGFSZSA-N 2 2 281.400 0.450 20 0 CCADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1C)CO2 ZINC001053926340 852848975 /nfs/dbraw/zinc/84/89/75/852848975.db2.gz DOZXCZURDNGPEA-QWHCGFSZSA-N 2 2 281.400 0.450 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)C[NH+]1CCCC1)CO2 ZINC001054008809 852868806 /nfs/dbraw/zinc/86/88/06/852868806.db2.gz HQJNUUJVHABLQC-LBPRGKRZSA-N 2 2 267.373 0.062 20 0 CCADLP CCCC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1cc[nH+]c1)CO2 ZINC001054024655 852870232 /nfs/dbraw/zinc/87/02/32/852870232.db2.gz UYXXXFXFKUUUCQ-ZDUSSCGKSA-N 2 2 292.383 0.643 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CCO1 ZINC001051581377 853604959 /nfs/dbraw/zinc/60/49/59/853604959.db2.gz BVSTUSLFQMDWHI-LLVKDONJSA-N 2 2 266.345 0.179 20 0 CCADLP CC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CCO1 ZINC001051917481 853659602 /nfs/dbraw/zinc/65/96/02/853659602.db2.gz AROGXESLJRELRO-NSHDSACASA-N 2 2 266.345 0.098 20 0 CCADLP CC[NH2+]CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000390747826 854035778 /nfs/dbraw/zinc/03/57/78/854035778.db2.gz AUDCYBZEIVRVHU-HNNXBMFYSA-N 2 2 291.395 0.613 20 0 CCADLP CC[NH2+]CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000390747826 854035781 /nfs/dbraw/zinc/03/57/81/854035781.db2.gz AUDCYBZEIVRVHU-HNNXBMFYSA-N 2 2 291.395 0.613 20 0 CCADLP CS(=O)(=O)C1(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1 ZINC000393683470 854127679 /nfs/dbraw/zinc/12/76/79/854127679.db2.gz KHNAOSQCCJDPHF-NGDQXYMTSA-N 2 2 270.398 0.150 20 0 CCADLP COCC[N@@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[C@@H]1C ZINC001071989512 854331730 /nfs/dbraw/zinc/33/17/30/854331730.db2.gz PYJWWOZPYQQLST-QWHCGFSZSA-N 2 2 294.399 0.578 20 0 CCADLP COCC[N@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2C)CC[C@@H]1C ZINC001071989512 854331735 /nfs/dbraw/zinc/33/17/35/854331735.db2.gz PYJWWOZPYQQLST-QWHCGFSZSA-N 2 2 294.399 0.578 20 0 CCADLP COCC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001071989510 854332609 /nfs/dbraw/zinc/33/26/09/854332609.db2.gz PYJWWOZPYQQLST-OLZOCXBDSA-N 2 2 294.399 0.578 20 0 CCADLP COCC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[C@H]1C ZINC001071989510 854332614 /nfs/dbraw/zinc/33/26/14/854332614.db2.gz PYJWWOZPYQQLST-OLZOCXBDSA-N 2 2 294.399 0.578 20 0 CCADLP CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC001072870347 854484034 /nfs/dbraw/zinc/48/40/34/854484034.db2.gz FUYXACWVJRAWFK-ZDUSSCGKSA-N 2 2 288.395 1.000 20 0 CCADLP CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)C1 ZINC001072870347 854484040 /nfs/dbraw/zinc/48/40/40/854484040.db2.gz FUYXACWVJRAWFK-ZDUSSCGKSA-N 2 2 288.395 1.000 20 0 CCADLP CO[C@H](C)C[N@@H+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001073018986 854515946 /nfs/dbraw/zinc/51/59/46/854515946.db2.gz QEGKULWCRWSMQU-GFCCVEGCSA-N 2 2 292.383 0.521 20 0 CCADLP CO[C@H](C)C[N@H+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001073018986 854515949 /nfs/dbraw/zinc/51/59/49/854515949.db2.gz QEGKULWCRWSMQU-GFCCVEGCSA-N 2 2 292.383 0.521 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001073483764 854565310 /nfs/dbraw/zinc/56/53/10/854565310.db2.gz JXRXQVSVNHDCBK-UHFFFAOYSA-N 2 2 274.368 0.827 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001073483764 854565315 /nfs/dbraw/zinc/56/53/15/854565315.db2.gz JXRXQVSVNHDCBK-UHFFFAOYSA-N 2 2 274.368 0.827 20 0 CCADLP CC[N@@H+]1CCO[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@@H]21 ZINC001074268823 854706589 /nfs/dbraw/zinc/70/65/89/854706589.db2.gz OSHZVFUAONAJQE-GJZGRUSLSA-N 2 2 295.427 0.792 20 0 CCADLP CC[N@H+]1CCO[C@H]2CCN(C(=O)C[NH+](C)C3CCC3)C[C@@H]21 ZINC001074268823 854706593 /nfs/dbraw/zinc/70/65/93/854706593.db2.gz OSHZVFUAONAJQE-GJZGRUSLSA-N 2 2 295.427 0.792 20 0 CCADLP CC[NH+]1CCO[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]21 ZINC001074268823 854706599 /nfs/dbraw/zinc/70/65/99/854706599.db2.gz OSHZVFUAONAJQE-GJZGRUSLSA-N 2 2 295.427 0.792 20 0 CCADLP CC[NH+]1CCO[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C[C@@H]21 ZINC001074268823 854706606 /nfs/dbraw/zinc/70/66/06/854706606.db2.gz OSHZVFUAONAJQE-GJZGRUSLSA-N 2 2 295.427 0.792 20 0 CCADLP COC(=O)N(C)CC[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000689549917 854894462 /nfs/dbraw/zinc/89/44/62/854894462.db2.gz WJYAABSKIBKVOJ-MNOVXSKESA-N 2 2 259.350 0.041 20 0 CCADLP C[NH+]1CCC(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)CC1 ZINC001256200086 855218425 /nfs/dbraw/zinc/21/84/25/855218425.db2.gz MJGKDTIKPZSNAL-AWEZNQCLSA-N 3 2 252.406 0.093 20 0 CCADLP C[C@H](O)C[NH2+]C1CC(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001100934326 855241609 /nfs/dbraw/zinc/24/16/09/855241609.db2.gz MDDIVPWOTVMKPL-HIFPTAJRSA-N 2 2 294.399 0.218 20 0 CCADLP COCC[N@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102513584 855441738 /nfs/dbraw/zinc/44/17/38/855441738.db2.gz RQOVZTAZCJBKLA-CHWSQXEVSA-N 2 2 294.399 0.293 20 0 CCADLP COCC[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102513584 855441744 /nfs/dbraw/zinc/44/17/44/855441744.db2.gz RQOVZTAZCJBKLA-CHWSQXEVSA-N 2 2 294.399 0.293 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1C[N@H+](CCO)C[C@H]1C ZINC001103678433 855524964 /nfs/dbraw/zinc/52/49/64/855524964.db2.gz QYOSRQSZFQWZBF-DGCLKSJQSA-N 2 2 294.399 0.327 20 0 CCADLP Cc1nc(NC[C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001103973648 855557254 /nfs/dbraw/zinc/55/72/54/855557254.db2.gz JDJMRDMGLFXCCL-AAEUAGOBSA-N 2 2 291.399 0.901 20 0 CCADLP Cc1nc(NC[C@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001103973648 855557260 /nfs/dbraw/zinc/55/72/60/855557260.db2.gz JDJMRDMGLFXCCL-AAEUAGOBSA-N 2 2 291.399 0.901 20 0 CCADLP Cc1nc(N[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)cc[nH+]1 ZINC001112336028 855626605 /nfs/dbraw/zinc/62/66/05/855626605.db2.gz LGJSDGCDSXHXMK-AAEUAGOBSA-N 2 2 291.399 0.996 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cc[nH+]c1 ZINC001115340122 855664149 /nfs/dbraw/zinc/66/41/49/855664149.db2.gz LGJIBCBWNLBXKJ-CXTNEJHOSA-N 2 2 292.383 0.091 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cc[nH+]c1 ZINC001115340122 855664153 /nfs/dbraw/zinc/66/41/53/855664153.db2.gz LGJIBCBWNLBXKJ-CXTNEJHOSA-N 2 2 292.383 0.091 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC1([NH2+]CCO)CCCCC1 ZINC001115656066 855686245 /nfs/dbraw/zinc/68/62/45/855686245.db2.gz ZYPGXBXMQYCWSM-UHFFFAOYSA-N 2 2 294.399 0.674 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC1([NH2+]CCO)CCCCC1 ZINC001115749178 855695267 /nfs/dbraw/zinc/69/52/67/855695267.db2.gz PDRQDQYMSDBYST-UHFFFAOYSA-N 2 2 280.372 0.353 20 0 CCADLP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(=O)[nH]n1 ZINC001116833371 855842198 /nfs/dbraw/zinc/84/21/98/855842198.db2.gz XJUJETCWAMXPHL-LLVKDONJSA-N 2 2 280.372 0.680 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H](N)CC[NH+](C)C ZINC001118336912 856265846 /nfs/dbraw/zinc/26/58/46/856265846.db2.gz GMSNUGXBSIXSIM-LBPRGKRZSA-N 2 2 267.377 0.011 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC001118992998 856520940 /nfs/dbraw/zinc/52/09/40/856520940.db2.gz WIRLREMTSVRNNC-AVGNSLFASA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC001118992998 856520932 /nfs/dbraw/zinc/52/09/32/856520932.db2.gz WIRLREMTSVRNNC-AVGNSLFASA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC2([NH2+]Cc3cnon3)CC2)CC[N@@H+]1C ZINC001392909984 912258961 /nfs/dbraw/zinc/25/89/61/912258961.db2.gz ZKJGSBNILOOCCC-ZYHUDNBSSA-N 2 2 293.371 0.148 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC2([NH2+]Cc3cnon3)CC2)CC[N@H+]1C ZINC001392909984 912258979 /nfs/dbraw/zinc/25/89/79/912258979.db2.gz ZKJGSBNILOOCCC-ZYHUDNBSSA-N 2 2 293.371 0.148 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC1([NH2+]C[C@@H]2CCOC2)CC1 ZINC001392925072 912269281 /nfs/dbraw/zinc/26/92/81/912269281.db2.gz YEVMFSQZZRCPQQ-ZDUSSCGKSA-N 2 2 292.383 0.548 20 0 CCADLP COCCCC[N@H+]1CC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001323334008 912277458 /nfs/dbraw/zinc/27/74/58/912277458.db2.gz GWJUSCKMRZQIDZ-CYBMUJFWSA-N 2 2 294.399 0.580 20 0 CCADLP CC[C@@H](C(=O)N(C)C1C[NH+](CCn2cccn2)C1)[NH+](C)C ZINC001393011237 912323943 /nfs/dbraw/zinc/32/39/43/912323943.db2.gz HDIIWCYNSWMNRU-AWEZNQCLSA-N 2 2 293.415 0.366 20 0 CCADLP C[C@]1(CNC(=O)CCc2c[nH]c[nH+]2)CCC[N@H+](CCO)C1 ZINC001393197948 912433494 /nfs/dbraw/zinc/43/34/94/912433494.db2.gz BGYQHGPCCUQJAA-OAHLLOKOSA-N 2 2 294.399 0.553 20 0 CCADLP C[C@]1(CNC(=O)CCc2c[nH]c[nH+]2)CCC[N@@H+](CCO)C1 ZINC001393197948 912433498 /nfs/dbraw/zinc/43/34/98/912433498.db2.gz BGYQHGPCCUQJAA-OAHLLOKOSA-N 2 2 294.399 0.553 20 0 CCADLP C[C@]1(CNC(=O)CCc2c[nH+]c[nH]2)CCC[N@H+](CCO)C1 ZINC001393197948 912433503 /nfs/dbraw/zinc/43/35/03/912433503.db2.gz BGYQHGPCCUQJAA-OAHLLOKOSA-N 2 2 294.399 0.553 20 0 CCADLP C[C@]1(CNC(=O)CCc2c[nH+]c[nH]2)CCC[N@@H+](CCO)C1 ZINC001393197948 912433506 /nfs/dbraw/zinc/43/35/06/912433506.db2.gz BGYQHGPCCUQJAA-OAHLLOKOSA-N 2 2 294.399 0.553 20 0 CCADLP CC[NH+]1CC(O)(CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001393348965 912525358 /nfs/dbraw/zinc/52/53/58/912525358.db2.gz XIANPEDLAFWQSE-UHFFFAOYSA-N 2 2 283.416 0.290 20 0 CCADLP C[NH+](C)CCCC(=O)N[C@]1(CO)CCC[N@H+](CCF)C1 ZINC001393449769 912579940 /nfs/dbraw/zinc/57/99/40/912579940.db2.gz KNURRRWINOAQNI-CQSZACIVSA-N 2 2 289.395 0.241 20 0 CCADLP C[NH+](C)CCCC(=O)N[C@]1(CO)CCC[N@@H+](CCF)C1 ZINC001393449769 912579953 /nfs/dbraw/zinc/57/99/53/912579953.db2.gz KNURRRWINOAQNI-CQSZACIVSA-N 2 2 289.395 0.241 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001393508279 912610496 /nfs/dbraw/zinc/61/04/96/912610496.db2.gz UMGZSFDNRLBERL-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001393508279 912610504 /nfs/dbraw/zinc/61/05/04/912610504.db2.gz UMGZSFDNRLBERL-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+]1CCOC[C@@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001393508279 912610518 /nfs/dbraw/zinc/61/05/18/912610518.db2.gz UMGZSFDNRLBERL-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP CC[NH+]1CCOC[C@@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001393508279 912610526 /nfs/dbraw/zinc/61/05/26/912610526.db2.gz UMGZSFDNRLBERL-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2COCC[NH+]2CC2CC2)C1 ZINC001393527677 912630253 /nfs/dbraw/zinc/63/02/53/912630253.db2.gz OAQXXLGHUOOHAE-DZGCQCFKSA-N 2 2 295.427 0.555 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2COCC[NH+]2CC2CC2)C1 ZINC001393527677 912630260 /nfs/dbraw/zinc/63/02/60/912630260.db2.gz OAQXXLGHUOOHAE-DZGCQCFKSA-N 2 2 295.427 0.555 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2COCC[N@@H+]2CC2CC2)C1 ZINC001393527677 912630263 /nfs/dbraw/zinc/63/02/63/912630263.db2.gz OAQXXLGHUOOHAE-DZGCQCFKSA-N 2 2 295.427 0.555 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2COCC[N@H+]2CC2CC2)C1 ZINC001393527677 912630270 /nfs/dbraw/zinc/63/02/70/912630270.db2.gz OAQXXLGHUOOHAE-DZGCQCFKSA-N 2 2 295.427 0.555 20 0 CCADLP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+][C@@H](C)c1csnn1 ZINC001394523377 913239272 /nfs/dbraw/zinc/23/92/72/913239272.db2.gz VCGTZLCSXVHSCV-QWRGUYRKSA-N 2 2 299.444 0.987 20 0 CCADLP CO[C@@H](C)C[NH2+]CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001481285106 892523354 /nfs/dbraw/zinc/52/33/54/892523354.db2.gz SBFNJGSTSPBCJL-JTQLQIEISA-N 2 2 254.334 0.035 20 0 CCADLP CC(C)=CC[NH2+]CCN(C)C(=O)Cc1c[nH+]cn1C ZINC001481304249 892555135 /nfs/dbraw/zinc/55/51/35/892555135.db2.gz NUBQSUJOMKCXND-UHFFFAOYSA-N 2 2 264.373 0.977 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1cnsn1 ZINC001481306535 892558423 /nfs/dbraw/zinc/55/84/23/892558423.db2.gz VIASITDBZIAIQD-UHFFFAOYSA-N 2 2 285.417 0.428 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)CC[NH2+]Cc1cnsn1 ZINC001481306535 892558428 /nfs/dbraw/zinc/55/84/28/892558428.db2.gz VIASITDBZIAIQD-UHFFFAOYSA-N 2 2 285.417 0.428 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NCC[C@@H]1CC[N@@H+](CCO)C1 ZINC001481462062 892699130 /nfs/dbraw/zinc/69/91/30/892699130.db2.gz OHHPMBJJYUZAHI-CQSZACIVSA-N 2 2 294.399 0.484 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NCC[C@@H]1CC[N@H+](CCO)C1 ZINC001481462062 892699139 /nfs/dbraw/zinc/69/91/39/892699139.db2.gz OHHPMBJJYUZAHI-CQSZACIVSA-N 2 2 294.399 0.484 20 0 CCADLP C[C@@H]([NH2+]CCO)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001496449575 892926385 /nfs/dbraw/zinc/92/63/85/892926385.db2.gz XTPBGGJDHMFSBT-OLZOCXBDSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H]([NH2+]CCO)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001496449575 892926393 /nfs/dbraw/zinc/92/63/93/892926393.db2.gz XTPBGGJDHMFSBT-OLZOCXBDSA-N 2 2 294.399 0.551 20 0 CCADLP CC(=O)[C@](C)(O)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC001363202096 893700593 /nfs/dbraw/zinc/70/05/93/893700593.db2.gz BYKOZNAFCICGSW-LSDHHAIUSA-N 2 2 283.416 0.038 20 0 CCADLP CC(=O)[C@](C)(O)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC001363202096 893700601 /nfs/dbraw/zinc/70/06/01/893700601.db2.gz BYKOZNAFCICGSW-LSDHHAIUSA-N 2 2 283.416 0.038 20 0 CCADLP C[C@@H](C[NH2+]C[C@@H]1CCOC1)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001482291837 893788233 /nfs/dbraw/zinc/78/82/33/893788233.db2.gz IDTCALCIXLRNQI-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H](C[NH2+]C[C@@H]1CCOC1)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001482291837 893788239 /nfs/dbraw/zinc/78/82/39/893788239.db2.gz IDTCALCIXLRNQI-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]1CCC[NH2+]1 ZINC001358154543 894214118 /nfs/dbraw/zinc/21/41/18/894214118.db2.gz JGXPYORGIMBMNR-STQMWFEESA-N 2 2 269.389 0.356 20 0 CCADLP CN(CC[N@H+](C)CC[C@@H]1CCCO1)C(=O)Cc1[nH]cc[nH+]1 ZINC001482637357 894439100 /nfs/dbraw/zinc/43/91/00/894439100.db2.gz DYXCQHPYDNFIOF-ZDUSSCGKSA-N 2 2 294.399 0.912 20 0 CCADLP CN(CC[N@@H+](C)CC[C@@H]1CCCO1)C(=O)Cc1[nH]cc[nH+]1 ZINC001482637357 894439104 /nfs/dbraw/zinc/43/91/04/894439104.db2.gz DYXCQHPYDNFIOF-ZDUSSCGKSA-N 2 2 294.399 0.912 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1cnon1 ZINC001483026457 894814850 /nfs/dbraw/zinc/81/48/50/894814850.db2.gz LUEBPHCEOPGEAH-DHCBQETCSA-N 2 2 293.371 0.316 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1cnon1 ZINC001483026457 894814860 /nfs/dbraw/zinc/81/48/60/894814860.db2.gz LUEBPHCEOPGEAH-DHCBQETCSA-N 2 2 293.371 0.316 20 0 CCADLP CCc1noc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001483162802 895048733 /nfs/dbraw/zinc/04/87/33/895048733.db2.gz OACLLYZONGNHEP-GHMZBOCLSA-N 2 2 297.403 0.739 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001483170956 895056674 /nfs/dbraw/zinc/05/66/74/895056674.db2.gz ZNVMAGQGSJFQDC-ZJUUUORDSA-N 2 2 254.334 0.081 20 0 CCADLP CC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1cnon1)[NH+](C)C ZINC001483167174 895057478 /nfs/dbraw/zinc/05/74/78/895057478.db2.gz FLRCCGPOFSXOQZ-KOLCDFICSA-N 2 2 269.349 0.004 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCC[NH+](C)C)o1 ZINC001409429195 895181858 /nfs/dbraw/zinc/18/18/58/895181858.db2.gz ZSCQLDUIPMMLBX-QWRGUYRKSA-N 2 2 297.403 0.703 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)Cc1cncn1C ZINC001409520061 895226604 /nfs/dbraw/zinc/22/66/04/895226604.db2.gz RJRAJIJQJISEMY-OCCSQVGLSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)Cc1cncn1C ZINC001409520061 895226615 /nfs/dbraw/zinc/22/66/15/895226615.db2.gz RJRAJIJQJISEMY-OCCSQVGLSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@H+](C)Cc1cncn1C ZINC001409520061 895226625 /nfs/dbraw/zinc/22/66/25/895226625.db2.gz RJRAJIJQJISEMY-OCCSQVGLSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@@H+](C)Cc1cncn1C ZINC001409520061 895226633 /nfs/dbraw/zinc/22/66/33/895226633.db2.gz RJRAJIJQJISEMY-OCCSQVGLSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@H](C[N@H+](C)C[C@H]1CCOC1)NC(=O)Cn1cc[nH+]c1 ZINC001483427457 895560465 /nfs/dbraw/zinc/56/04/65/895560465.db2.gz NDCCDJNWRTUDEN-CHWSQXEVSA-N 2 2 280.372 0.356 20 0 CCADLP C[C@H](C[N@@H+](C)C[C@H]1CCOC1)NC(=O)Cn1cc[nH+]c1 ZINC001483427457 895560474 /nfs/dbraw/zinc/56/04/74/895560474.db2.gz NDCCDJNWRTUDEN-CHWSQXEVSA-N 2 2 280.372 0.356 20 0 CCADLP COCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001484907425 896662332 /nfs/dbraw/zinc/66/23/32/896662332.db2.gz VSRGDSJUBORGGB-WCQYABFASA-N 2 2 280.372 0.046 20 0 CCADLP COCC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001484907427 896662622 /nfs/dbraw/zinc/66/26/22/896662622.db2.gz VSRGDSJUBORGGB-YPMHNXCESA-N 2 2 280.372 0.046 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001326675773 914093789 /nfs/dbraw/zinc/09/37/89/914093789.db2.gz QFVZJSGLTJAMGV-NSHDSACASA-N 2 2 262.357 0.563 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC001326675773 914093807 /nfs/dbraw/zinc/09/38/07/914093807.db2.gz QFVZJSGLTJAMGV-NSHDSACASA-N 2 2 262.357 0.563 20 0 CCADLP COCC[NH2+]CC1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001485105942 896786849 /nfs/dbraw/zinc/78/68/49/896786849.db2.gz YJPGKEVPVJAZCQ-UHFFFAOYSA-N 2 2 266.345 0.083 20 0 CCADLP CC(C)OCC[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001485202193 896847772 /nfs/dbraw/zinc/84/77/72/896847772.db2.gz PDBQHYRJPVUARP-VXGBXAGGSA-N 2 2 282.388 0.860 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C1C[NH+](CCF)C1 ZINC001485536554 897112187 /nfs/dbraw/zinc/11/21/87/897112187.db2.gz AONJDNWSMKZXRC-JTQLQIEISA-N 2 2 268.336 0.598 20 0 CCADLP CC1(C)C[N@H+](CCO)C[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001485572672 897130177 /nfs/dbraw/zinc/13/01/77/897130177.db2.gz WBXBCALOGMEKHB-LBPRGKRZSA-N 2 2 280.372 0.161 20 0 CCADLP CC1(C)C[N@@H+](CCO)C[C@@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001485572672 897130184 /nfs/dbraw/zinc/13/01/84/897130184.db2.gz WBXBCALOGMEKHB-LBPRGKRZSA-N 2 2 280.372 0.161 20 0 CCADLP CC1(C)C[N@H+](CCO)C[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001485572672 897130191 /nfs/dbraw/zinc/13/01/91/897130191.db2.gz WBXBCALOGMEKHB-LBPRGKRZSA-N 2 2 280.372 0.161 20 0 CCADLP CC1(C)C[N@@H+](CCO)C[C@@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001485572672 897130196 /nfs/dbraw/zinc/13/01/96/897130196.db2.gz WBXBCALOGMEKHB-LBPRGKRZSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@H](CCC[NH2+]C[C@H]1CCOC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001485740740 897210605 /nfs/dbraw/zinc/21/06/05/897210605.db2.gz SMJYCUGIYDFANH-CHWSQXEVSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@@H](CCC[NH2+]C[C@H]1CCOC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001485740742 897213582 /nfs/dbraw/zinc/21/35/82/897213582.db2.gz SMJYCUGIYDFANH-QWHCGFSZSA-N 2 2 294.399 0.863 20 0 CCADLP COCCC[NH2+]C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001326774316 914158134 /nfs/dbraw/zinc/15/81/34/914158134.db2.gz XVWNQZMIHFMGHT-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCc1[nH+]ccn1C ZINC000094647976 897850120 /nfs/dbraw/zinc/85/01/20/897850120.db2.gz AYFQVXXEMQAOBW-GHMZBOCLSA-N 2 2 250.346 0.467 20 0 CCADLP CO[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212410255 897888326 /nfs/dbraw/zinc/88/83/26/897888326.db2.gz PKJJKXKVYUNLRW-JHJVBQTASA-N 2 2 287.379 0.112 20 0 CCADLP CO[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212410255 897888337 /nfs/dbraw/zinc/88/83/37/897888337.db2.gz PKJJKXKVYUNLRW-JHJVBQTASA-N 2 2 287.379 0.112 20 0 CCADLP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]Cc1cccnc1 ZINC001485926049 898509292 /nfs/dbraw/zinc/50/92/92/898509292.db2.gz HWKDRUQLISFMOL-GFCCVEGCSA-N 2 2 287.367 0.984 20 0 CCADLP CCOCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001486093140 898649863 /nfs/dbraw/zinc/64/98/63/898649863.db2.gz USPRCZSHRKUPKY-QWHCGFSZSA-N 2 2 294.399 0.876 20 0 CCADLP C[C@@H](CC(=O)N1CCO[C@@H](C[NH2+]CCF)C1)n1cc[nH+]c1 ZINC001327032575 914326926 /nfs/dbraw/zinc/32/69/26/914326926.db2.gz AYJHPCVHHTUNRV-STQMWFEESA-N 2 2 298.362 0.621 20 0 CCADLP CC(C)OCCC[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134397730 899833741 /nfs/dbraw/zinc/83/37/41/899833741.db2.gz VMGFBGREBKXKOK-UHFFFAOYSA-N 2 2 268.361 0.473 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCn1cc[nH+]c1 ZINC001488645188 900326540 /nfs/dbraw/zinc/32/65/40/900326540.db2.gz NSMVGPSCFQWAKJ-UONOGXRCSA-N 2 2 294.399 0.841 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CCn1cc[nH+]c1 ZINC001488645188 900326549 /nfs/dbraw/zinc/32/65/49/900326549.db2.gz NSMVGPSCFQWAKJ-UONOGXRCSA-N 2 2 294.399 0.841 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H]1CC[N@@H+]1CCCO ZINC001488685635 900344256 /nfs/dbraw/zinc/34/42/56/900344256.db2.gz LGJPTUCZDXLHTN-GFCCVEGCSA-N 2 2 280.372 0.176 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H]1CC[N@H+]1CCCO ZINC001488685635 900344266 /nfs/dbraw/zinc/34/42/66/900344266.db2.gz LGJPTUCZDXLHTN-GFCCVEGCSA-N 2 2 280.372 0.176 20 0 CCADLP COCC[NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001488871960 900399653 /nfs/dbraw/zinc/39/96/53/900399653.db2.gz FOISLIBRKKKKHB-HAQNSBGRSA-N 2 2 280.372 0.093 20 0 CCADLP C[NH+]1CCN([C@H]2CC[N@H+](C[C@]3(C)CCC[NH2+]C3)C2)CC1 ZINC001550705206 900455996 /nfs/dbraw/zinc/45/59/96/900455996.db2.gz VUDQUSFMBQPHPM-JKSUJKDBSA-N 3 2 280.460 0.698 20 0 CCADLP C[NH+]1CCN([C@H]2CC[N@@H+](C[C@]3(C)CCC[NH2+]C3)C2)CC1 ZINC001550705206 900456024 /nfs/dbraw/zinc/45/60/24/900456024.db2.gz VUDQUSFMBQPHPM-JKSUJKDBSA-N 3 2 280.460 0.698 20 0 CCADLP CN1CCN([C@H]2CC[N@H+](C[C@]3(C)CCC[NH2+]C3)C2)CC1 ZINC001550705206 900456029 /nfs/dbraw/zinc/45/60/29/900456029.db2.gz VUDQUSFMBQPHPM-JKSUJKDBSA-N 2 2 280.460 0.698 20 0 CCADLP CN1CCN([C@H]2CC[N@@H+](C[C@]3(C)CCC[NH2+]C3)C2)CC1 ZINC001550705206 900456041 /nfs/dbraw/zinc/45/60/41/900456041.db2.gz VUDQUSFMBQPHPM-JKSUJKDBSA-N 2 2 280.460 0.698 20 0 CCADLP Cc1noc([C@H](C)[N@H+](C)CCCNC(=O)CC[NH+](C)C)n1 ZINC001490243995 900578147 /nfs/dbraw/zinc/57/81/47/900578147.db2.gz KQCPIRBZPYQCMI-NSHDSACASA-N 2 2 297.403 0.829 20 0 CCADLP Cc1noc([C@H](C)[N@@H+](C)CCCNC(=O)CC[NH+](C)C)n1 ZINC001490243995 900578156 /nfs/dbraw/zinc/57/81/56/900578156.db2.gz KQCPIRBZPYQCMI-NSHDSACASA-N 2 2 297.403 0.829 20 0 CCADLP C[NH+](C)CCC(=O)NC[C@H]([NH2+]Cc1csnn1)C1CC1 ZINC001490699006 900710578 /nfs/dbraw/zinc/71/05/78/900710578.db2.gz BMLLILNJPNNNRS-LBPRGKRZSA-N 2 2 297.428 0.474 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001326681549 901865363 /nfs/dbraw/zinc/86/53/63/901865363.db2.gz XYLXQSMNCZIHGC-VXGBXAGGSA-N 2 2 262.357 0.706 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001326681549 901865368 /nfs/dbraw/zinc/86/53/68/901865368.db2.gz XYLXQSMNCZIHGC-VXGBXAGGSA-N 2 2 262.357 0.706 20 0 CCADLP COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001412775630 902114719 /nfs/dbraw/zinc/11/47/19/902114719.db2.gz PFXLHZRPOALHQH-RYUDHWBXSA-N 2 2 296.371 0.196 20 0 CCADLP COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001412775630 902114724 /nfs/dbraw/zinc/11/47/24/902114724.db2.gz PFXLHZRPOALHQH-RYUDHWBXSA-N 2 2 296.371 0.196 20 0 CCADLP C[C@@]([NH2+]C[C@@H]1CCC[NH2+]C1)(C(N)=O)c1ccccc1 ZINC001327538039 914599957 /nfs/dbraw/zinc/59/99/57/914599957.db2.gz NZEVUPFTGICOBK-DOMZBBRYSA-N 2 2 261.369 0.976 20 0 CCADLP Cn1c[nH+]cc1C1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC001413101631 902704802 /nfs/dbraw/zinc/70/48/02/902704802.db2.gz WFYUNEAGLHYYFR-CQSZACIVSA-N 2 2 289.383 0.857 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)NC(C)(C)CC[NH+]1CCOCC1 ZINC001413313838 902866259 /nfs/dbraw/zinc/86/62/59/902866259.db2.gz ZMTPCUCZNUHDNV-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)NC(C)(C)CC[NH+]1CCOCC1 ZINC001413313838 902866274 /nfs/dbraw/zinc/86/62/74/902866274.db2.gz ZMTPCUCZNUHDNV-CYBMUJFWSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@H](C[NH2+][C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1)OC ZINC001490917343 903234869 /nfs/dbraw/zinc/23/48/69/903234869.db2.gz ZUYOGSSAZCJNTJ-MGPQQGTHSA-N 2 2 294.399 0.935 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH2+]Cc1ocnc1C ZINC001491528367 903643371 /nfs/dbraw/zinc/64/33/71/903643371.db2.gz MGFMWZYWRHIVAF-JTQLQIEISA-N 2 2 291.355 0.782 20 0 CCADLP C([NH2+][C@@H]1CCC[NH2+]C1)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001246248792 904000339 /nfs/dbraw/zinc/00/03/39/904000339.db2.gz PCCNSZSSPDMZRR-OLZOCXBDSA-N 3 2 253.390 0.487 20 0 CCADLP C([NH2+][C@H]1CCC[NH2+]C1)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001246248793 904000847 /nfs/dbraw/zinc/00/08/47/904000847.db2.gz PCCNSZSSPDMZRR-QWHCGFSZSA-N 3 2 253.390 0.487 20 0 CCADLP C[NH2+][C@@H](C)CCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC001327813513 914783159 /nfs/dbraw/zinc/78/31/59/914783159.db2.gz SGOZIPNZDOPUSD-JTQLQIEISA-N 2 2 289.339 0.387 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[C@H]([NH2+]CCCO)C1 ZINC001281458809 904288998 /nfs/dbraw/zinc/28/89/98/904288998.db2.gz RDDJKPWZUFAMFF-GXFFZTMASA-N 2 2 280.372 0.080 20 0 CCADLP CC1([NH2+]CCCO)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001281507941 904297047 /nfs/dbraw/zinc/29/70/47/904297047.db2.gz QJOINZCRBQMDHJ-UHFFFAOYSA-N 2 2 294.399 0.626 20 0 CCADLP COCCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001281687222 904331481 /nfs/dbraw/zinc/33/14/81/904331481.db2.gz WBYQVRCFTXHTLH-OLZOCXBDSA-N 2 2 294.399 0.958 20 0 CCADLP COCCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001281687222 904331491 /nfs/dbraw/zinc/33/14/91/904331491.db2.gz WBYQVRCFTXHTLH-OLZOCXBDSA-N 2 2 294.399 0.958 20 0 CCADLP CC[N@H+](C)CCC(=O)NCC[NH+](C)Cc1cncn1C ZINC001377240705 904717126 /nfs/dbraw/zinc/71/71/26/904717126.db2.gz RNKUZCCDLKFKLW-UHFFFAOYSA-N 2 2 281.404 0.310 20 0 CCADLP CC[N@@H+](C)CCC(=O)NCC[NH+](C)Cc1cncn1C ZINC001377240705 904717129 /nfs/dbraw/zinc/71/71/29/904717129.db2.gz RNKUZCCDLKFKLW-UHFFFAOYSA-N 2 2 281.404 0.310 20 0 CCADLP CC[NH+](C)CCC(=O)NCC[N@H+](C)Cc1cncn1C ZINC001377240705 904717133 /nfs/dbraw/zinc/71/71/33/904717133.db2.gz RNKUZCCDLKFKLW-UHFFFAOYSA-N 2 2 281.404 0.310 20 0 CCADLP CC[NH+](C)CCC(=O)NCC[N@@H+](C)Cc1cncn1C ZINC001377240705 904717137 /nfs/dbraw/zinc/71/71/37/904717137.db2.gz RNKUZCCDLKFKLW-UHFFFAOYSA-N 2 2 281.404 0.310 20 0 CCADLP Cc1nocc1C[N@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001377254244 904725024 /nfs/dbraw/zinc/72/50/24/904725024.db2.gz YVOJTJQQIVDHDV-CYBMUJFWSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1nocc1C[N@@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001377254244 904725039 /nfs/dbraw/zinc/72/50/39/904725039.db2.gz YVOJTJQQIVDHDV-CYBMUJFWSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1nocc1C[NH+](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001377254244 904725051 /nfs/dbraw/zinc/72/50/51/904725051.db2.gz YVOJTJQQIVDHDV-CYBMUJFWSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1nocc1C[NH+](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001377254244 904725064 /nfs/dbraw/zinc/72/50/64/904725064.db2.gz YVOJTJQQIVDHDV-CYBMUJFWSA-N 2 2 294.399 0.873 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C)([NH2+]CCO)CC1 ZINC001377300382 904769732 /nfs/dbraw/zinc/76/97/32/904769732.db2.gz HIMFHWZIOUCNBX-LBPRGKRZSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C)([NH2+]CCO)CC1 ZINC001377300382 904769747 /nfs/dbraw/zinc/76/97/47/904769747.db2.gz HIMFHWZIOUCNBX-LBPRGKRZSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CCC[N@H+]2CCF)C1 ZINC001377407981 904853129 /nfs/dbraw/zinc/85/31/29/904853129.db2.gz AOBWCMBKKHOVHT-CHWSQXEVSA-N 2 2 271.380 0.878 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCC[NH+]2CCF)C1 ZINC001377407981 904853081 /nfs/dbraw/zinc/85/30/81/904853081.db2.gz AOBWCMBKKHOVHT-CHWSQXEVSA-N 2 2 271.380 0.878 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCC[NH+]2CCF)C1 ZINC001377407981 904853100 /nfs/dbraw/zinc/85/31/00/904853100.db2.gz AOBWCMBKKHOVHT-CHWSQXEVSA-N 2 2 271.380 0.878 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CCC[N@@H+]2CCF)C1 ZINC001377407981 904853117 /nfs/dbraw/zinc/85/31/17/904853117.db2.gz AOBWCMBKKHOVHT-CHWSQXEVSA-N 2 2 271.380 0.878 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001283677752 904958763 /nfs/dbraw/zinc/95/87/63/904958763.db2.gz CYIBDNRFQTTWKU-QWRGUYRKSA-N 2 2 268.361 0.424 20 0 CCADLP CCC[NH+]1CCN(CCN(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001377731608 905121062 /nfs/dbraw/zinc/12/10/62/905121062.db2.gz GIJISBSHYMDCFC-UHFFFAOYSA-N 2 2 293.415 0.438 20 0 CCADLP COCC[NH2+]C[C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001284200274 905181874 /nfs/dbraw/zinc/18/18/74/905181874.db2.gz ZEXHSTNHXXPCPV-KBPBESRZSA-N 2 2 294.399 0.794 20 0 CCADLP CCN(C(=O)NCC[NH+]1CCC([NH3+])CC1)C1CC1 ZINC001336964074 921130215 /nfs/dbraw/zinc/13/02/15/921130215.db2.gz WMEYDRSLLLZGIT-UHFFFAOYSA-N 2 2 254.378 0.603 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])CC1CC1 ZINC001336980092 921138044 /nfs/dbraw/zinc/13/80/44/921138044.db2.gz CPGDVUJUVQAMQQ-QWHCGFSZSA-N 2 2 269.389 0.341 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H]([NH3+])CC1CC1 ZINC001336980092 921138051 /nfs/dbraw/zinc/13/80/51/921138051.db2.gz CPGDVUJUVQAMQQ-QWHCGFSZSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)Cc1ccnn1C ZINC001378028230 905353603 /nfs/dbraw/zinc/35/36/03/905353603.db2.gz ZXELNSCUMYQWCS-OCCSQVGLSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)Cc1ccnn1C ZINC001378028230 905353623 /nfs/dbraw/zinc/35/36/23/905353623.db2.gz ZXELNSCUMYQWCS-OCCSQVGLSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@H+](C)Cc1ccnn1C ZINC001378028230 905353641 /nfs/dbraw/zinc/35/36/41/905353641.db2.gz ZXELNSCUMYQWCS-OCCSQVGLSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@@H+](C)Cc1ccnn1C ZINC001378028230 905353650 /nfs/dbraw/zinc/35/36/50/905353650.db2.gz ZXELNSCUMYQWCS-OCCSQVGLSA-N 2 2 293.415 0.451 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001378065241 905395964 /nfs/dbraw/zinc/39/59/64/905395964.db2.gz ARJKRFCIEGZTPF-OLZOCXBDSA-N 2 2 280.372 0.499 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001378065241 905395981 /nfs/dbraw/zinc/39/59/81/905395981.db2.gz ARJKRFCIEGZTPF-OLZOCXBDSA-N 2 2 280.372 0.499 20 0 CCADLP COCC[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001284669361 905416547 /nfs/dbraw/zinc/41/65/47/905416547.db2.gz VYBCDBOTPQXUSH-UHFFFAOYSA-N 2 2 268.361 0.425 20 0 CCADLP COCC[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001284669361 905416561 /nfs/dbraw/zinc/41/65/61/905416561.db2.gz VYBCDBOTPQXUSH-UHFFFAOYSA-N 2 2 268.361 0.425 20 0 CCADLP C[C@H](C[NH2+][C@H](C)c1csnn1)NC(=O)C[NH+]1CCCC1 ZINC001379471694 906266102 /nfs/dbraw/zinc/26/61/02/906266102.db2.gz VBHILNLKMTUYMJ-GHMZBOCLSA-N 2 2 297.428 0.789 20 0 CCADLP Cc1cc(C[NH2+]C[C@H](C)NC(=O)Cn2c[nH+]cc2C)on1 ZINC001379535259 906334825 /nfs/dbraw/zinc/33/48/25/906334825.db2.gz JCZUUHBLZCMDEF-NSHDSACASA-N 2 2 291.355 0.782 20 0 CCADLP C[C@H](C[N@H+](C)C[C@H]1CCOC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001379757764 906468385 /nfs/dbraw/zinc/46/83/85/906468385.db2.gz WFOLLHWLYNQMRB-VXGBXAGGSA-N 2 2 280.372 0.425 20 0 CCADLP C[C@H](C[N@@H+](C)C[C@H]1CCOC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001379757764 906468396 /nfs/dbraw/zinc/46/83/96/906468396.db2.gz WFOLLHWLYNQMRB-VXGBXAGGSA-N 2 2 280.372 0.425 20 0 CCADLP C[C@H](C[N@H+](C)CC[C@@H]1CCOC1)NC(=O)Cn1cc[nH+]c1 ZINC001379812796 906490727 /nfs/dbraw/zinc/49/07/27/906490727.db2.gz XIUZHNHWQDOOST-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@H](C[N@@H+](C)CC[C@@H]1CCOC1)NC(=O)Cn1cc[nH+]c1 ZINC001379812796 906490737 /nfs/dbraw/zinc/49/07/37/906490737.db2.gz XIUZHNHWQDOOST-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP CC[C@@H](C(=O)N(C)C1C[NH+](CCOC(C)C)C1)[NH+](C)C ZINC001380248834 906690451 /nfs/dbraw/zinc/69/04/51/906690451.db2.gz AEBXPUKZNXSUIQ-AWEZNQCLSA-N 2 2 285.432 0.894 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@]1(O)CC[N@H+](CC2CC2)C1 ZINC001380535844 906804463 /nfs/dbraw/zinc/80/44/63/906804463.db2.gz NXFYRNYIRDZTCT-HNNXBMFYSA-N 2 2 292.383 0.305 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001380535844 906804470 /nfs/dbraw/zinc/80/44/70/906804470.db2.gz NXFYRNYIRDZTCT-HNNXBMFYSA-N 2 2 292.383 0.305 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@]1(O)CC[N@H+](CC2CC2)C1 ZINC001380535844 906804480 /nfs/dbraw/zinc/80/44/80/906804480.db2.gz NXFYRNYIRDZTCT-HNNXBMFYSA-N 2 2 292.383 0.305 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001380535844 906804488 /nfs/dbraw/zinc/80/44/88/906804488.db2.gz NXFYRNYIRDZTCT-HNNXBMFYSA-N 2 2 292.383 0.305 20 0 CCADLP CC[C@@H](C)C[N@@H+]1CCOC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001380832011 906957476 /nfs/dbraw/zinc/95/74/76/906957476.db2.gz MTKFLWOFLOQGCA-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP CC[C@@H](C)C[N@H+]1CCOC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001380832011 906957493 /nfs/dbraw/zinc/95/74/93/906957493.db2.gz MTKFLWOFLOQGCA-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@H+](C)C1CCC1)CO2 ZINC001381003825 907040116 /nfs/dbraw/zinc/04/01/16/907040116.db2.gz AWPCDUCGNRAKRQ-LBPRGKRZSA-N 2 2 281.400 0.450 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@@H+](C)C1CCC1)CO2 ZINC001381003825 907040126 /nfs/dbraw/zinc/04/01/26/907040126.db2.gz AWPCDUCGNRAKRQ-LBPRGKRZSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@H](C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)Cn1cc[nH+]c1 ZINC001335943710 907122989 /nfs/dbraw/zinc/12/29/89/907122989.db2.gz YFKDDJRFRWKXJV-OCCSQVGLSA-N 3 2 266.389 0.564 20 0 CCADLP C[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)Cn1cc[nH+]c1 ZINC001335943710 907122999 /nfs/dbraw/zinc/12/29/99/907122999.db2.gz YFKDDJRFRWKXJV-OCCSQVGLSA-N 3 2 266.389 0.564 20 0 CCADLP Nc1cc[nH+]c(CNC(=O)NCCn2cc[nH+]c2)c1 ZINC001337839972 921298134 /nfs/dbraw/zinc/29/81/34/921298134.db2.gz DZDNHAJJTRBQQZ-UHFFFAOYSA-N 2 2 260.301 0.360 20 0 CCADLP [NH3+][C@@H]1CCC[C@H](NC(=O)NCCn2cc[nH+]c2)C1 ZINC001337841021 921298449 /nfs/dbraw/zinc/29/84/49/921298449.db2.gz WXQSPXWYEBIWQJ-MNOVXSKESA-N 2 2 251.334 0.452 20 0 CCADLP CO[C@H](C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001381301839 907153196 /nfs/dbraw/zinc/15/31/96/907153196.db2.gz PRMVPCUNYJLSCR-OCCSQVGLSA-N 2 2 294.399 0.910 20 0 CCADLP CO[C@H](C)C[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001381301839 907153192 /nfs/dbraw/zinc/15/31/92/907153192.db2.gz PRMVPCUNYJLSCR-OCCSQVGLSA-N 2 2 294.399 0.910 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[N@H+](C)CCCO ZINC001381541693 907283654 /nfs/dbraw/zinc/28/36/54/907283654.db2.gz OXBUSSSRYKFTBT-OLZOCXBDSA-N 2 2 294.399 0.264 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[N@@H+](C)CCCO ZINC001381541693 907283667 /nfs/dbraw/zinc/28/36/67/907283667.db2.gz OXBUSSSRYKFTBT-OLZOCXBDSA-N 2 2 294.399 0.264 20 0 CCADLP Cc1nn(C)cc1C[NH2+][C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001491590749 907428028 /nfs/dbraw/zinc/42/80/28/907428028.db2.gz QIGODVZDYGAZLP-SNVBAGLBSA-N 2 2 290.371 0.289 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1[C@H]2C[N@H+](C/C=C\Cl)C[C@@H]12 ZINC001381918180 907457880 /nfs/dbraw/zinc/45/78/80/907457880.db2.gz ASAYUXKFYYSGFF-UQJHLKAZSA-N 2 2 294.786 0.930 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1[C@H]2C[N@@H+](C/C=C\Cl)C[C@@H]12 ZINC001381918180 907457889 /nfs/dbraw/zinc/45/78/89/907457889.db2.gz ASAYUXKFYYSGFF-UQJHLKAZSA-N 2 2 294.786 0.930 20 0 CCADLP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccon1 ZINC001491673289 907525123 /nfs/dbraw/zinc/52/51/23/907525123.db2.gz HNQHGZYUUMLJEO-NSHDSACASA-N 2 2 266.345 0.365 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001382083419 907539093 /nfs/dbraw/zinc/53/90/93/907539093.db2.gz CFKLNOIHAJMKJL-NWDGAFQWSA-N 2 2 282.388 0.814 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001382083419 907539100 /nfs/dbraw/zinc/53/91/00/907539100.db2.gz CFKLNOIHAJMKJL-NWDGAFQWSA-N 2 2 282.388 0.814 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001491824566 907588561 /nfs/dbraw/zinc/58/85/61/907588561.db2.gz VHMYNHBGTPPDNP-UONOGXRCSA-N 2 2 294.399 0.746 20 0 CCADLP COCC[NH2+]C[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001491858075 907607558 /nfs/dbraw/zinc/60/75/58/907607558.db2.gz AQHPAEGEYPWSIT-AWEZNQCLSA-N 2 2 294.399 0.748 20 0 CCADLP CCCCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001492215148 907768695 /nfs/dbraw/zinc/76/86/95/907768695.db2.gz NDIYMQUIIKUPJA-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CCCCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001492215148 907768713 /nfs/dbraw/zinc/76/87/13/907768713.db2.gz NDIYMQUIIKUPJA-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CCCCNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001492215148 907768726 /nfs/dbraw/zinc/76/87/26/907768726.db2.gz NDIYMQUIIKUPJA-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CCCCNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001492215148 907768734 /nfs/dbraw/zinc/76/87/34/907768734.db2.gz NDIYMQUIIKUPJA-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CC(C)N(CC[N@H+](C)CC(N)=O)C(=O)C[NH+](C)C1CCC1 ZINC001382499204 907773319 /nfs/dbraw/zinc/77/33/19/907773319.db2.gz MKVPETJWESAIHC-UHFFFAOYSA-N 2 2 298.431 0.125 20 0 CCADLP CC(C)N(CC[N@@H+](C)CC(N)=O)C(=O)C[NH+](C)C1CCC1 ZINC001382499204 907773323 /nfs/dbraw/zinc/77/33/23/907773323.db2.gz MKVPETJWESAIHC-UHFFFAOYSA-N 2 2 298.431 0.125 20 0 CCADLP CC(C)N(CC[NH+](C)CC(N)=O)C(=O)C[N@H+](C)C1CCC1 ZINC001382499204 907773324 /nfs/dbraw/zinc/77/33/24/907773324.db2.gz MKVPETJWESAIHC-UHFFFAOYSA-N 2 2 298.431 0.125 20 0 CCADLP CC(C)N(CC[NH+](C)CC(N)=O)C(=O)C[N@@H+](C)C1CCC1 ZINC001382499204 907773329 /nfs/dbraw/zinc/77/33/29/907773329.db2.gz MKVPETJWESAIHC-UHFFFAOYSA-N 2 2 298.431 0.125 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CC1CCC1 ZINC001317283289 908031191 /nfs/dbraw/zinc/03/11/91/908031191.db2.gz MMSIHLKOWIIMPZ-NSHDSACASA-N 2 2 264.373 0.857 20 0 CCADLP C[NH+](C)CC1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001328723002 908705723 /nfs/dbraw/zinc/70/57/23/908705723.db2.gz YBIUYQDTHAQQLT-LBPRGKRZSA-N 2 2 262.357 0.466 20 0 CCADLP CCOCC[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001329203469 908740252 /nfs/dbraw/zinc/74/02/52/908740252.db2.gz SWQWFSUTMUBZGH-VXGBXAGGSA-N 2 2 268.361 0.402 20 0 CCADLP CC[C@H](C(=O)NCCC[N@H+](C)Cc1nc(C)no1)[NH+](C)C ZINC001316835952 908795052 /nfs/dbraw/zinc/79/50/52/908795052.db2.gz SQACBBNRDDHCAO-GFCCVEGCSA-N 2 2 297.403 0.656 20 0 CCADLP CC[C@H](C(=O)NCCC[N@@H+](C)Cc1nc(C)no1)[NH+](C)C ZINC001316835952 908795062 /nfs/dbraw/zinc/79/50/62/908795062.db2.gz SQACBBNRDDHCAO-GFCCVEGCSA-N 2 2 297.403 0.656 20 0 CCADLP C[NH+](C)C1(C(=O)NCCC[N@@H+](C)Cc2cnon2)CCC1 ZINC001316830633 908797522 /nfs/dbraw/zinc/79/75/22/908797522.db2.gz SGKTYFSJBHGALR-UHFFFAOYSA-N 2 2 295.387 0.492 20 0 CCADLP C[NH+](C)C1(C(=O)NCCC[N@H+](C)Cc2cnon2)CCC1 ZINC001316830633 908797529 /nfs/dbraw/zinc/79/75/29/908797529.db2.gz SGKTYFSJBHGALR-UHFFFAOYSA-N 2 2 295.387 0.492 20 0 CCADLP O[C@H](C[NH2+][C@H]1CCc2c[nH+]cn2C1)C[NH+]1CCCC1 ZINC001338422640 921463071 /nfs/dbraw/zinc/46/30/71/921463071.db2.gz JKJHHFKEZAKYGH-GXTWGEPZSA-N 3 2 264.373 0.244 20 0 CCADLP CCC[N@H+](CCNC(=O)Cn1cc[nH+]c1)C[C@H](C)O ZINC001317544915 909312557 /nfs/dbraw/zinc/31/25/57/909312557.db2.gz AJVLCINSQRSDAG-LBPRGKRZSA-N 2 2 268.361 0.092 20 0 CCADLP CCC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)C[C@H](C)O ZINC001317544915 909312575 /nfs/dbraw/zinc/31/25/75/909312575.db2.gz AJVLCINSQRSDAG-LBPRGKRZSA-N 2 2 268.361 0.092 20 0 CCADLP Cc1ncoc1C[NH2+]CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001317633539 909431450 /nfs/dbraw/zinc/43/14/50/909431450.db2.gz DRHXSWFSNJARSC-UHFFFAOYSA-N 2 2 277.328 0.497 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[NH2+]C[C@H]1CCOC1 ZINC001317644121 909437168 /nfs/dbraw/zinc/43/71/68/909437168.db2.gz SWXLGUXKDNKPGT-QWHCGFSZSA-N 2 2 294.399 0.673 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[NH2+]C[C@H]1CCOC1 ZINC001317644121 909437178 /nfs/dbraw/zinc/43/71/78/909437178.db2.gz SWXLGUXKDNKPGT-QWHCGFSZSA-N 2 2 294.399 0.673 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+]Cc1ccn(C)n1 ZINC001317655979 909450386 /nfs/dbraw/zinc/45/03/86/909450386.db2.gz CLJBBLHYUWTUEV-UHFFFAOYSA-N 2 2 290.371 0.242 20 0 CCADLP CC[C@@H](C[NH2+][C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)C1)OC ZINC001388702263 909557445 /nfs/dbraw/zinc/55/74/45/909557445.db2.gz RIFSTXAOCAHKLR-MJBXVCDLSA-N 2 2 294.399 0.793 20 0 CCADLP CCCCOCC[NH+]1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001318087540 909615018 /nfs/dbraw/zinc/61/50/18/909615018.db2.gz PUYVDMISRMNGBC-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP CCCCOCC[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001318087540 909615036 /nfs/dbraw/zinc/61/50/36/909615036.db2.gz PUYVDMISRMNGBC-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP CC(C)=CC[NH+]1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001318158542 909643268 /nfs/dbraw/zinc/64/32/68/909643268.db2.gz FHBNASBHJUAPJG-UHFFFAOYSA-N 2 2 262.357 0.966 20 0 CCADLP COCC[NH2+]CC1(NC(=O)CCn2cc[nH+]c2)CCCC1 ZINC001318644337 909847231 /nfs/dbraw/zinc/84/72/31/909847231.db2.gz FUWKHGGDLUOMHD-UHFFFAOYSA-N 2 2 294.399 0.938 20 0 CCADLP CC[C@H](C(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1)[NH+](CC)CC ZINC001389381483 909861109 /nfs/dbraw/zinc/86/11/09/909861109.db2.gz BLGGRHMTOQLXCQ-QWHCGFSZSA-N 2 2 298.431 0.173 20 0 CCADLP CC[C@H](C(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1)[NH+](CC)CC ZINC001389381483 909861117 /nfs/dbraw/zinc/86/11/17/909861117.db2.gz BLGGRHMTOQLXCQ-QWHCGFSZSA-N 2 2 298.431 0.173 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H](CNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001389677418 910029329 /nfs/dbraw/zinc/02/93/29/910029329.db2.gz RCUCBPAKMLRRHD-GXFFZTMASA-N 2 2 280.372 0.472 20 0 CCADLP C[N@H+](CCO)C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001389736986 910045530 /nfs/dbraw/zinc/04/55/30/910045530.db2.gz MZBMXEZEHYXFRR-LBPRGKRZSA-N 2 2 280.372 0.115 20 0 CCADLP C[N@@H+](CCO)C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001389736986 910045550 /nfs/dbraw/zinc/04/55/50/910045550.db2.gz MZBMXEZEHYXFRR-LBPRGKRZSA-N 2 2 280.372 0.115 20 0 CCADLP COCC[N@@H+]1CCCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001390135551 910240752 /nfs/dbraw/zinc/24/07/52/910240752.db2.gz XZIKGIROWOVMAE-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP COCC[N@H+]1CCCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001390135551 910240770 /nfs/dbraw/zinc/24/07/70/910240770.db2.gz XZIKGIROWOVMAE-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP C[C@H](O)C[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001319779847 910290227 /nfs/dbraw/zinc/29/02/27/910290227.db2.gz WKGNGNCMESVHKK-JSGCOSHPSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@H]([NH2+]CCCO)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001319820345 910308609 /nfs/dbraw/zinc/30/86/09/910308609.db2.gz NHUNXTDIPAOCNA-QWHCGFSZSA-N 2 2 294.399 0.551 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+]Cc1nncs1 ZINC001390442634 910418523 /nfs/dbraw/zinc/41/85/23/910418523.db2.gz XDJNBEGDAUFJTH-SECBINFHSA-N 2 2 294.384 0.338 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CCC1CCOCC1 ZINC001390475577 910445141 /nfs/dbraw/zinc/44/51/41/910445141.db2.gz BDMVJZJKHFCCEP-LBPRGKRZSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@H](CNC(=O)CCCn1cc[nH+]c1)[NH2+]C[C@H]1CCOC1 ZINC001390534799 910496739 /nfs/dbraw/zinc/49/67/39/910496739.db2.gz XJLQUAWRRXISIM-ZIAGYGMSSA-N 2 2 294.399 0.794 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)CC(=O)NCC ZINC001390767542 910662076 /nfs/dbraw/zinc/66/20/76/910662076.db2.gz SCGCBMKVKRCENU-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)CC(=O)NCC ZINC001390767542 910662089 /nfs/dbraw/zinc/66/20/89/910662089.db2.gz SCGCBMKVKRCENU-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)CC(=O)NCC ZINC001390767542 910662098 /nfs/dbraw/zinc/66/20/98/910662098.db2.gz SCGCBMKVKRCENU-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)CC(=O)NCC ZINC001390767542 910662109 /nfs/dbraw/zinc/66/21/09/910662109.db2.gz SCGCBMKVKRCENU-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CC(C)OCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001391591377 911252754 /nfs/dbraw/zinc/25/27/54/911252754.db2.gz ALTCBHKKMRQAHK-CYBMUJFWSA-N 2 2 294.399 0.578 20 0 CCADLP CC(C)OCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001391591377 911252775 /nfs/dbraw/zinc/25/27/75/911252775.db2.gz ALTCBHKKMRQAHK-CYBMUJFWSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@H](C[NH2+]CC[C@@H]1CCOC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001321533198 911355824 /nfs/dbraw/zinc/35/58/24/911355824.db2.gz RLJHYPTWXISCCU-CHWSQXEVSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@H](C[NH2+]CC[C@@H]1CCOC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001321533198 911355844 /nfs/dbraw/zinc/35/58/44/911355844.db2.gz RLJHYPTWXISCCU-CHWSQXEVSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@@H](C[NH2+]C[C@H]1CCCOC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001392104366 911572846 /nfs/dbraw/zinc/57/28/46/911572846.db2.gz BENIGCXLFRIEKP-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H](C)C[NH2+]C[C@@H]1CCOC1 ZINC001392128621 911594933 /nfs/dbraw/zinc/59/49/33/911594933.db2.gz VCZNXGBMAKVZGL-AAEUAGOBSA-N 2 2 294.399 0.734 20 0 CCADLP CC(C)[NH2+]C[C@H](O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001392393686 911780569 /nfs/dbraw/zinc/78/05/69/911780569.db2.gz TZBNCQDONPHLLX-NSHDSACASA-N 2 2 276.340 0.652 20 0 CCADLP Cc1noc([C@H](C)[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001392503315 911870786 /nfs/dbraw/zinc/87/07/86/911870786.db2.gz CWTMWIKEVZKPNE-ZJUUUORDSA-N 2 2 283.376 0.485 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+][C@H](C)c1nc(C)no1 ZINC001392525816 911890624 /nfs/dbraw/zinc/89/06/24/911890624.db2.gz POZAGRQHQSDGQC-GHMZBOCLSA-N 2 2 297.403 0.875 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+][C@H](C)c1nc(C)no1 ZINC001392525816 911890636 /nfs/dbraw/zinc/89/06/36/911890636.db2.gz POZAGRQHQSDGQC-GHMZBOCLSA-N 2 2 297.403 0.875 20 0 CCADLP CC[C@@H](C[N@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1)OC ZINC001392722339 912115337 /nfs/dbraw/zinc/11/53/37/912115337.db2.gz GABRQOVBTNHLKR-OLZOCXBDSA-N 2 2 282.388 0.745 20 0 CCADLP CC[C@@H](C[N@@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1)OC ZINC001392722339 912115344 /nfs/dbraw/zinc/11/53/44/912115344.db2.gz GABRQOVBTNHLKR-OLZOCXBDSA-N 2 2 282.388 0.745 20 0 CCADLP Cc1cnc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001398867004 914896050 /nfs/dbraw/zinc/89/60/50/914896050.db2.gz DUEHUKACMHHWRU-CMPLNLGQSA-N 2 2 280.372 0.672 20 0 CCADLP Cc1cnc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001398867004 914896073 /nfs/dbraw/zinc/89/60/73/914896073.db2.gz DUEHUKACMHHWRU-CMPLNLGQSA-N 2 2 280.372 0.672 20 0 CCADLP CCc1nnc(C[NH2+][C@@H](C)CNC(=O)[C@@H](CC)[NH+](C)C)o1 ZINC001398982307 914978849 /nfs/dbraw/zinc/97/88/49/914978849.db2.gz PMJWSKRXISWMDY-WDEREUQCSA-N 2 2 297.403 0.567 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCCC[N@H+]1CCC[C@H]1CO ZINC001328296918 915090698 /nfs/dbraw/zinc/09/06/98/915090698.db2.gz HIPYQSCFBCFJLB-LBPRGKRZSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCCC[N@@H+]1CCC[C@H]1CO ZINC001328296918 915090719 /nfs/dbraw/zinc/09/07/19/915090719.db2.gz HIPYQSCFBCFJLB-LBPRGKRZSA-N 2 2 280.372 0.305 20 0 CCADLP COC[C@H](C)[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001399252199 915093006 /nfs/dbraw/zinc/09/30/06/915093006.db2.gz SFUOIGHZCLDZQZ-WCQYABFASA-N 2 2 294.399 0.734 20 0 CCADLP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)Cc1cncc(F)c1 ZINC001399441684 915176899 /nfs/dbraw/zinc/17/68/99/915176899.db2.gz YMMROMICMJXWNY-AWEZNQCLSA-N 2 2 294.374 0.863 20 0 CCADLP C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)Cc1cncc(F)c1 ZINC001399441684 915176903 /nfs/dbraw/zinc/17/69/03/915176903.db2.gz YMMROMICMJXWNY-AWEZNQCLSA-N 2 2 294.374 0.863 20 0 CCADLP C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1cncc(F)c1 ZINC001399441684 915176907 /nfs/dbraw/zinc/17/69/07/915176907.db2.gz YMMROMICMJXWNY-AWEZNQCLSA-N 2 2 294.374 0.863 20 0 CCADLP C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)Cc1cncc(F)c1 ZINC001399441684 915176912 /nfs/dbraw/zinc/17/69/12/915176912.db2.gz YMMROMICMJXWNY-AWEZNQCLSA-N 2 2 294.374 0.863 20 0 CCADLP Cn1nccc1C[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001399644174 915283533 /nfs/dbraw/zinc/28/35/33/915283533.db2.gz QUNHMOSACBRZDD-UHFFFAOYSA-N 2 2 291.399 0.064 20 0 CCADLP Cn1nccc1C[N@@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001399644174 915283538 /nfs/dbraw/zinc/28/35/38/915283538.db2.gz QUNHMOSACBRZDD-UHFFFAOYSA-N 2 2 291.399 0.064 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@@H+](C)CCOC(C)C ZINC001399651852 915296836 /nfs/dbraw/zinc/29/68/36/915296836.db2.gz YNVZUCCYADAALY-UHFFFAOYSA-N 2 2 282.388 0.734 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@H+](C)CCOC(C)C ZINC001399651852 915296851 /nfs/dbraw/zinc/29/68/51/915296851.db2.gz YNVZUCCYADAALY-UHFFFAOYSA-N 2 2 282.388 0.734 20 0 CCADLP Cc1nnc(C[N@H+]2CC[C@H](CNC(=O)CC[NH+](C)C)C2)o1 ZINC001399936990 915456631 /nfs/dbraw/zinc/45/66/31/915456631.db2.gz YRBMCCCXNHJVHU-GFCCVEGCSA-N 2 2 295.387 0.268 20 0 CCADLP Cc1nnc(C[N@@H+]2CC[C@H](CNC(=O)CC[NH+](C)C)C2)o1 ZINC001399936990 915456645 /nfs/dbraw/zinc/45/66/45/915456645.db2.gz YRBMCCCXNHJVHU-GFCCVEGCSA-N 2 2 295.387 0.268 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001399946158 915463586 /nfs/dbraw/zinc/46/35/86/915463586.db2.gz OBQYZWKMHOZVLD-YPMHNXCESA-N 2 2 294.399 0.734 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001399946158 915463602 /nfs/dbraw/zinc/46/36/02/915463602.db2.gz OBQYZWKMHOZVLD-YPMHNXCESA-N 2 2 294.399 0.734 20 0 CCADLP COC[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001400297358 915669190 /nfs/dbraw/zinc/66/91/90/915669190.db2.gz NQWFCFAWDXSPCT-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP COC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001400297358 915669202 /nfs/dbraw/zinc/66/92/02/915669202.db2.gz NQWFCFAWDXSPCT-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP CCOCC[NH2+][C@@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001329203468 915741356 /nfs/dbraw/zinc/74/13/56/915741356.db2.gz SWQWFSUTMUBZGH-RYUDHWBXSA-N 2 2 268.361 0.402 20 0 CCADLP CCC[N@H+](C)CCC(=O)NC1CN(Cc2c[nH+]cn2C)C1 ZINC001400431408 915745442 /nfs/dbraw/zinc/74/54/42/915745442.db2.gz FSQXAVYESFDHHP-UHFFFAOYSA-N 2 2 293.415 0.452 20 0 CCADLP CCC[N@@H+](C)CCC(=O)NC1CN(Cc2c[nH+]cn2C)C1 ZINC001400431408 915745452 /nfs/dbraw/zinc/74/54/52/915745452.db2.gz FSQXAVYESFDHHP-UHFFFAOYSA-N 2 2 293.415 0.452 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC1C[NH+](C[C@@H]2CCCOC2)C1 ZINC001400544767 915803364 /nfs/dbraw/zinc/80/33/64/915803364.db2.gz RRKPLCPVPDOTHW-LBPRGKRZSA-N 2 2 292.383 0.427 20 0 CCADLP C[C@H](C(=O)N[C@@H]1CC[NH2+]CC1(C)C)n1cc[nH+]c1 ZINC001329568677 916017597 /nfs/dbraw/zinc/01/75/97/916017597.db2.gz KWNBMGDTYFGLON-GHMZBOCLSA-N 2 2 250.346 0.948 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]C[C@H]1CCCOC1 ZINC001401141806 916069359 /nfs/dbraw/zinc/06/93/59/916069359.db2.gz HGWWTSYZYABZJP-CHWSQXEVSA-N 2 2 294.399 0.721 20 0 CCADLP CC(C)[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CCF ZINC001401374195 916217977 /nfs/dbraw/zinc/21/79/77/916217977.db2.gz CHQVNBVKKJFBNS-GFCCVEGCSA-N 2 2 270.352 0.663 20 0 CCADLP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1cnsn1)[NH+](C)C ZINC001401658277 916435309 /nfs/dbraw/zinc/43/53/09/916435309.db2.gz ARFKQVOYCIHAGN-PWSUYJOCSA-N 2 2 299.444 0.719 20 0 CCADLP CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001401751372 916569182 /nfs/dbraw/zinc/56/91/82/916569182.db2.gz ARSAEBCTOMZXRJ-STQMWFEESA-N 2 2 298.431 0.043 20 0 CCADLP CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001401751372 916569189 /nfs/dbraw/zinc/56/91/89/916569189.db2.gz ARSAEBCTOMZXRJ-STQMWFEESA-N 2 2 298.431 0.043 20 0 CCADLP CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001401751372 916569202 /nfs/dbraw/zinc/56/92/02/916569202.db2.gz ARSAEBCTOMZXRJ-STQMWFEESA-N 2 2 298.431 0.043 20 0 CCADLP CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001401751372 916569214 /nfs/dbraw/zinc/56/92/14/916569214.db2.gz ARSAEBCTOMZXRJ-STQMWFEESA-N 2 2 298.431 0.043 20 0 CCADLP CC(C)OCC[N@H+](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001401784983 916586677 /nfs/dbraw/zinc/58/66/77/916586677.db2.gz QYNUKKSVXNDBFM-GFCCVEGCSA-N 2 2 282.388 0.814 20 0 CCADLP CC(C)OCC[N@@H+](C)C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001401784983 916586696 /nfs/dbraw/zinc/58/66/96/916586696.db2.gz QYNUKKSVXNDBFM-GFCCVEGCSA-N 2 2 282.388 0.814 20 0 CCADLP C[C@@H](C[N@H+](C)Cc1ccn(C)n1)NC(=O)CCC[NH+](C)C ZINC001401784929 916589300 /nfs/dbraw/zinc/58/93/00/916589300.db2.gz NFMOBCUYYZJSKW-ZDUSSCGKSA-N 2 2 295.431 0.698 20 0 CCADLP C[C@@H](C[N@@H+](C)Cc1ccn(C)n1)NC(=O)CCC[NH+](C)C ZINC001401784929 916589316 /nfs/dbraw/zinc/58/93/16/916589316.db2.gz NFMOBCUYYZJSKW-ZDUSSCGKSA-N 2 2 295.431 0.698 20 0 CCADLP CC(C)C[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CCO)n1cc[nH+]c1 ZINC001401892779 916669994 /nfs/dbraw/zinc/66/99/94/916669994.db2.gz JEFWCHPMGZXKAD-KGLIPLIRSA-N 2 2 294.399 0.653 20 0 CCADLP CC(C)C[C@@H](C(=O)NC[C@H]1CC[N@H+]1CCO)n1cc[nH+]c1 ZINC001401892779 916669999 /nfs/dbraw/zinc/66/99/99/916669999.db2.gz JEFWCHPMGZXKAD-KGLIPLIRSA-N 2 2 294.399 0.653 20 0 CCADLP CC[NH+](CC)C[C@@H](F)C(=O)N(C)C1C[NH+](CCOC)C1 ZINC001402015879 916757543 /nfs/dbraw/zinc/75/75/43/916757543.db2.gz KUHHGYCZXGJRPM-CYBMUJFWSA-N 2 2 289.395 0.455 20 0 CCADLP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](Cc2cnns2)C1 ZINC001402120232 916822002 /nfs/dbraw/zinc/82/20/02/916822002.db2.gz AIZPTMYWDPEFOD-CYBMUJFWSA-N 2 2 297.428 0.570 20 0 CCADLP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+](Cc2cnns2)C1 ZINC001402120232 916822016 /nfs/dbraw/zinc/82/20/16/916822016.db2.gz AIZPTMYWDPEFOD-CYBMUJFWSA-N 2 2 297.428 0.570 20 0 CCADLP C[C@]1(CNC(=O)Cc2c[nH]c[nH+]2)CCC[N@H+](CCO)C1 ZINC001402213593 916877430 /nfs/dbraw/zinc/87/74/30/916877430.db2.gz PQSOJPSIDZTZOX-CQSZACIVSA-N 2 2 280.372 0.163 20 0 CCADLP C[C@]1(CNC(=O)Cc2c[nH]c[nH+]2)CCC[N@@H+](CCO)C1 ZINC001402213593 916877443 /nfs/dbraw/zinc/87/74/43/916877443.db2.gz PQSOJPSIDZTZOX-CQSZACIVSA-N 2 2 280.372 0.163 20 0 CCADLP C[C@H](O)C[NH2+][C@H](CNC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001402342423 916967984 /nfs/dbraw/zinc/96/79/84/916967984.db2.gz XFUXSPNFFUMDFE-WCQYABFASA-N 2 2 280.372 0.138 20 0 CCADLP CC[NH2+]C1CCN(CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001402429558 917012508 /nfs/dbraw/zinc/01/25/08/917012508.db2.gz BFZLEPZXPVMRDJ-UHFFFAOYSA-N 2 2 293.415 0.153 20 0 CCADLP CC(=O)NCC[NH+]1CCC([NH2+]C[C@H]2C[C@@]23CCOC3)CC1 ZINC001402428356 917012732 /nfs/dbraw/zinc/01/27/32/917012732.db2.gz CWFPFWSPSSXTNQ-GDBMZVCRSA-N 2 2 295.427 0.603 20 0 CCADLP CC[C@@H](C(=O)NC[C@H]1COCC[N@H+]1CC1CC1)[NH+](C)C ZINC001402523990 917075626 /nfs/dbraw/zinc/07/56/26/917075626.db2.gz GNNNPARRIGMAGM-KBPBESRZSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001402527187 917081530 /nfs/dbraw/zinc/08/15/30/917081530.db2.gz ABGIPEFYGJMWRI-QWHCGFSZSA-N 2 2 280.372 0.235 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001402542422 917085979 /nfs/dbraw/zinc/08/59/79/917085979.db2.gz BPRMTUBGPDAETO-AGUYFDCRSA-N 2 2 292.383 0.446 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001402542422 917085992 /nfs/dbraw/zinc/08/59/92/917085992.db2.gz BPRMTUBGPDAETO-AGUYFDCRSA-N 2 2 292.383 0.446 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001402542422 917086005 /nfs/dbraw/zinc/08/60/05/917086005.db2.gz BPRMTUBGPDAETO-AGUYFDCRSA-N 2 2 292.383 0.446 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001402542422 917086019 /nfs/dbraw/zinc/08/60/19/917086019.db2.gz BPRMTUBGPDAETO-AGUYFDCRSA-N 2 2 292.383 0.446 20 0 CCADLP COCC[C@H]([NH3+])Cc1cn(CCn2cc[nH+]c2)nn1 ZINC001331242205 917211928 /nfs/dbraw/zinc/21/19/28/917211928.db2.gz PBOVITWHUFROTO-NSHDSACASA-N 2 2 264.333 0.081 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](C)[N@H+](C)CCF ZINC001403201634 917576412 /nfs/dbraw/zinc/57/64/12/917576412.db2.gz LYZJCDMFGTVDDX-OLZOCXBDSA-N 2 2 289.395 0.361 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](C)[N@@H+](C)CCF ZINC001403201634 917576419 /nfs/dbraw/zinc/57/64/19/917576419.db2.gz LYZJCDMFGTVDDX-OLZOCXBDSA-N 2 2 289.395 0.361 20 0 CCADLP COCCC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001332219206 917965836 /nfs/dbraw/zinc/96/58/36/917965836.db2.gz NJXDEVCXUCQZJF-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP COCCC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001332219206 917965853 /nfs/dbraw/zinc/96/58/53/917965853.db2.gz NJXDEVCXUCQZJF-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP CN(C[C@H](O)C[NH2+]CC1CCC1)C(=O)Cc1c[nH+]cn1C ZINC001403887859 918089219 /nfs/dbraw/zinc/08/92/19/918089219.db2.gz VEFYAHLRBMOGKM-CQSZACIVSA-N 2 2 294.399 0.172 20 0 CCADLP CC(C)CC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001403889566 918089350 /nfs/dbraw/zinc/08/93/50/918089350.db2.gz FCDBHKPYVSZLKO-CYBMUJFWSA-N 2 2 296.415 0.749 20 0 CCADLP CC(C)CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001403889566 918089367 /nfs/dbraw/zinc/08/93/67/918089367.db2.gz FCDBHKPYVSZLKO-CYBMUJFWSA-N 2 2 296.415 0.749 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[C@H]1CC[N@@H+](CCCO)C1 ZINC001404524414 918380007 /nfs/dbraw/zinc/38/00/07/918380007.db2.gz QALNFKBRNYFRIA-LBPRGKRZSA-N 2 2 280.372 0.163 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[C@H]1CC[N@H+](CCCO)C1 ZINC001404524414 918380019 /nfs/dbraw/zinc/38/00/19/918380019.db2.gz QALNFKBRNYFRIA-LBPRGKRZSA-N 2 2 280.372 0.163 20 0 CCADLP CC[C@@H](C(=O)NC1C[NH+]([C@H](C)COC)C1)[NH+](CC)CC ZINC001404804910 918470511 /nfs/dbraw/zinc/47/05/11/918470511.db2.gz PTODUHDAWZEKSR-OCCSQVGLSA-N 2 2 285.432 0.942 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC1C[NH+](C[C@@H]2CCOC2)C1 ZINC001404931106 918519697 /nfs/dbraw/zinc/51/96/97/918519697.db2.gz MVOSZGAZZWEYDH-LBPRGKRZSA-N 2 2 292.383 0.345 20 0 CCADLP [NH3+]Cc1ccccc1CNC(=O)/C=C\C[NH+]1CCOCC1 ZINC001332957606 918558039 /nfs/dbraw/zinc/55/80/39/918558039.db2.gz CRJYYKWPFSHYQF-UTCJRWHESA-N 2 2 289.379 0.650 20 0 CCADLP Cc1conc1C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001405094428 918595976 /nfs/dbraw/zinc/59/59/76/918595976.db2.gz RNRSYXNDRFCDTC-GFCCVEGCSA-N 2 2 280.372 0.625 20 0 CCADLP Cc1conc1C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001405094428 918595991 /nfs/dbraw/zinc/59/59/91/918595991.db2.gz RNRSYXNDRFCDTC-GFCCVEGCSA-N 2 2 280.372 0.625 20 0 CCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC([NH2+]CCCO)C1 ZINC001333081918 918641971 /nfs/dbraw/zinc/64/19/71/918641971.db2.gz IWRVJTTXLSUING-FIYWTHMPSA-N 2 2 292.383 0.475 20 0 CCADLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC([NH2+]CCCO)C1 ZINC001333081918 918641978 /nfs/dbraw/zinc/64/19/78/918641978.db2.gz IWRVJTTXLSUING-FIYWTHMPSA-N 2 2 292.383 0.475 20 0 CCADLP CC[C@H](C)C[N@@H+]1CCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001405914829 918976506 /nfs/dbraw/zinc/97/65/06/918976506.db2.gz VKHCNGHDRSFMMP-GXTWGEPZSA-N 2 2 294.399 0.815 20 0 CCADLP CC[C@H](C)C[N@H+]1CCO[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001405914829 918976516 /nfs/dbraw/zinc/97/65/16/918976516.db2.gz VKHCNGHDRSFMMP-GXTWGEPZSA-N 2 2 294.399 0.815 20 0 CCADLP CO[C@H](C)C[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001406072442 919027093 /nfs/dbraw/zinc/02/70/93/919027093.db2.gz HASQVLCPHAXHAT-CHWSQXEVSA-N 2 2 282.388 0.648 20 0 CCADLP COCC[C@@H]([NH3+])C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001333631099 919053905 /nfs/dbraw/zinc/05/39/05/919053905.db2.gz NSDPSYGJRNAEKG-LLVKDONJSA-N 2 2 266.345 0.480 20 0 CCADLP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccnn1C ZINC001333767892 919149590 /nfs/dbraw/zinc/14/95/90/919149590.db2.gz XXJFHZOIVGCUIL-QMMMGPOBSA-N 2 2 262.317 0.225 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1nnc(C)o1 ZINC001406423564 919254074 /nfs/dbraw/zinc/25/40/74/919254074.db2.gz UGNZUWYBTXYAGW-SNVBAGLBSA-N 2 2 283.376 0.314 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1nnc(C)o1 ZINC001406423564 919254088 /nfs/dbraw/zinc/25/40/88/919254088.db2.gz UGNZUWYBTXYAGW-SNVBAGLBSA-N 2 2 283.376 0.314 20 0 CCADLP CC[C@H](C[N@H+](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C)OC ZINC001406683053 919425998 /nfs/dbraw/zinc/42/59/98/919425998.db2.gz BMUBDKYPTGDWBF-TZMCWYRMSA-N 2 2 296.415 0.824 20 0 CCADLP CC[C@H](C[N@@H+](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C)OC ZINC001406683053 919426008 /nfs/dbraw/zinc/42/60/08/919426008.db2.gz BMUBDKYPTGDWBF-TZMCWYRMSA-N 2 2 296.415 0.824 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccon2)CC1 ZINC001406907440 919529749 /nfs/dbraw/zinc/52/97/49/919529749.db2.gz IYBAZRHAFBOJHP-GFCCVEGCSA-N 2 2 278.356 0.507 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccon2)CC1 ZINC001406907440 919529755 /nfs/dbraw/zinc/52/97/55/919529755.db2.gz IYBAZRHAFBOJHP-GFCCVEGCSA-N 2 2 278.356 0.507 20 0 CCADLP C[C@H](O)C[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001407227408 919671621 /nfs/dbraw/zinc/67/16/21/919671621.db2.gz DYXHHXLAYKKZQR-WFASDCNBSA-N 2 2 294.399 0.172 20 0 CCADLP O=C1NCC2(CC[NH+](CC34CC(C3)C[NH2+]4)CC2)O1 ZINC001334775443 919756711 /nfs/dbraw/zinc/75/67/11/919756711.db2.gz XZHSYKWSJQAVEK-UHFFFAOYSA-N 2 2 251.330 0.313 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC001334826123 919786599 /nfs/dbraw/zinc/78/65/99/919786599.db2.gz DWJMFSSAEICCRC-YUMQZZPRSA-N 2 2 258.334 0.382 20 0 CCADLP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC001335445383 920195752 /nfs/dbraw/zinc/19/57/52/920195752.db2.gz RPTIAWVZWRCRLT-CVEARBPZSA-N 3 2 298.475 0.059 20 0 CCADLP CCOC(=O)CC[C@@H](O)C[NH2+][C@H]1Cc2c[nH+]cn2C1 ZINC001335468928 920219595 /nfs/dbraw/zinc/21/95/95/920219595.db2.gz XXBPPVDNYKISNM-CMPLNLGQSA-N 2 2 267.329 0.102 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001335896277 920499828 /nfs/dbraw/zinc/49/98/28/920499828.db2.gz GAIXJFVRSRABKS-JSGCOSHPSA-N 2 2 277.372 0.715 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)NCCCC2CC2)CC1 ZINC001336037673 920577811 /nfs/dbraw/zinc/57/78/11/920577811.db2.gz WQSNHQKWCLWNHS-UHFFFAOYSA-N 2 2 268.405 0.899 20 0 CCADLP C[C@@H](O)CNc1cc(N2C[C@@H](C)[NH2+][C@@H](C)C2)nc[nH+]1 ZINC001336679370 920921307 /nfs/dbraw/zinc/92/13/07/920921307.db2.gz MPDCVYWAIVICEE-OUAUKWLOSA-N 2 2 265.361 0.456 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)NCCCn1cc[nH+]c1 ZINC001336735121 920964419 /nfs/dbraw/zinc/96/44/19/920964419.db2.gz FDXLGEHFDXVOGU-TZMCWYRMSA-N 2 2 277.372 0.796 20 0 CCADLP C[C@H](C[NH2+]C[C@H](O)CC(C)(C)O)Cn1cc[nH+]c1 ZINC001336738783 920967495 /nfs/dbraw/zinc/96/74/95/920967495.db2.gz FDTOYTDEYGLMNL-VXGBXAGGSA-N 2 2 255.362 0.631 20 0 CCADLP CC(C)OC[C@H](O)C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC001336762604 920989904 /nfs/dbraw/zinc/98/99/04/920989904.db2.gz FQOIDOHMTPAYCT-QWHCGFSZSA-N 2 2 255.362 0.895 20 0 CCADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CCn1cccn1 ZINC001418255181 921965912 /nfs/dbraw/zinc/96/59/12/921965912.db2.gz GWMZHOYHSVEHTN-ZDUSSCGKSA-N 2 2 290.371 0.264 20 0 CCADLP Cc1cnc(C[NH2+][C@@H](C)CNC(=O)C[N@@H+]2CC[C@H](C)C2)o1 ZINC001418277405 921986110 /nfs/dbraw/zinc/98/61/10/921986110.db2.gz VZLGRKBPKITTRK-RYUDHWBXSA-N 2 2 294.399 0.919 20 0 CCADLP Cc1cnc(C[NH2+][C@@H](C)CNC(=O)C[N@H+]2CC[C@H](C)C2)o1 ZINC001418277405 921986115 /nfs/dbraw/zinc/98/61/15/921986115.db2.gz VZLGRKBPKITTRK-RYUDHWBXSA-N 2 2 294.399 0.919 20 0 CCADLP C[NH2+]CCC1CCN(C(=O)C[C@H]([NH3+])C(F)F)CC1 ZINC001340260599 922027429 /nfs/dbraw/zinc/02/74/29/922027429.db2.gz CFQKIWJHTQWMTQ-JTQLQIEISA-N 2 2 263.332 0.817 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001418330222 922028974 /nfs/dbraw/zinc/02/89/74/922028974.db2.gz RNMBZLNGPKLIFL-STQMWFEESA-N 2 2 294.399 0.578 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)[C@@H]1[NH2+]CC12CCOCC2 ZINC001340521534 922107438 /nfs/dbraw/zinc/10/74/38/922107438.db2.gz HGDXHJURHUNSJC-LBPRGKRZSA-N 2 2 278.356 0.158 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001340557705 922123345 /nfs/dbraw/zinc/12/33/45/922123345.db2.gz PESWSLCBKFRXOL-GRYCIOLGSA-N 2 2 262.357 0.784 20 0 CCADLP Cc1oncc1C[N@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001418495293 922181603 /nfs/dbraw/zinc/18/16/03/922181603.db2.gz SEDBVRVEHGICJI-UHFFFAOYSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1oncc1C[N@@H+](C)CCNC(=O)C1CC[NH+](C)CC1 ZINC001418495293 922181613 /nfs/dbraw/zinc/18/16/13/922181613.db2.gz SEDBVRVEHGICJI-UHFFFAOYSA-N 2 2 294.399 0.873 20 0 CCADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)C[C@@H]1CC[C@@H](C)O1 ZINC001418584659 922277503 /nfs/dbraw/zinc/27/75/03/922277503.db2.gz RGGPJEIOFUKVMA-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP C[NH+](C)[C@@H]1CCCN(C(=O)C[C@H]([NH3+])C(F)F)CC1 ZINC001340987992 922307665 /nfs/dbraw/zinc/30/76/65/922307665.db2.gz ZPNGFBQSPXZSRY-ZJUUUORDSA-N 2 2 263.332 0.912 20 0 CCADLP C[NH+](C)[C@H]1CCCN(C(=O)C[C@@H]([NH3+])C(F)F)CC1 ZINC001340987991 922308322 /nfs/dbraw/zinc/30/83/22/922308322.db2.gz ZPNGFBQSPXZSRY-VHSXEESVSA-N 2 2 263.332 0.912 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1Cc1cnon1 ZINC001418753287 922408200 /nfs/dbraw/zinc/40/82/00/922408200.db2.gz BGIAOJUZBQQESV-QWHCGFSZSA-N 2 2 295.387 0.490 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1Cc1cnon1 ZINC001418753287 922408208 /nfs/dbraw/zinc/40/82/08/922408208.db2.gz BGIAOJUZBQQESV-QWHCGFSZSA-N 2 2 295.387 0.490 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)CC[NH2+][C@@H](C)c1csnn1 ZINC001418843152 922447907 /nfs/dbraw/zinc/44/79/07/922447907.db2.gz XGKHTZMKQAIMCN-NSHDSACASA-N 2 2 299.444 0.989 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)CC[NH2+][C@@H](C)c1csnn1 ZINC001418843152 922447913 /nfs/dbraw/zinc/44/79/13/922447913.db2.gz XGKHTZMKQAIMCN-NSHDSACASA-N 2 2 299.444 0.989 20 0 CCADLP CC(C)NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001418952072 922506854 /nfs/dbraw/zinc/50/68/54/922506854.db2.gz OQHDAPYURRDHNO-CYBMUJFWSA-N 2 2 298.431 0.043 20 0 CCADLP CC(C)NC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001418952072 922506863 /nfs/dbraw/zinc/50/68/63/922506863.db2.gz OQHDAPYURRDHNO-CYBMUJFWSA-N 2 2 298.431 0.043 20 0 CCADLP Cc1c[nH+]cn1CC(=O)Nc1cc2n(n1)CC[NH2+]C2 ZINC001341505993 922519412 /nfs/dbraw/zinc/51/94/12/922519412.db2.gz KSIGXGRASNKTBP-UHFFFAOYSA-N 2 2 260.301 0.130 20 0 CCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)NC1C[NH+](C[C@H](C)O)C1 ZINC001418972340 922531294 /nfs/dbraw/zinc/53/12/94/922531294.db2.gz QLESKBKWBKOCCU-NEPJUHHUSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH+]2CC(CNC(=O)Cc3[nH]cc[nH+]3)C2)O1 ZINC001419036655 922592837 /nfs/dbraw/zinc/59/28/37/922592837.db2.gz BMQPAIUMVLFUQT-YPMHNXCESA-N 2 2 292.383 0.568 20 0 CCADLP C[C@H](CCC[NH3+])NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001341687748 922628326 /nfs/dbraw/zinc/62/83/26/922628326.db2.gz YPCMBKBNIUEAGA-GMTAPVOTSA-N 2 2 250.346 0.767 20 0 CCADLP O=C(NC[C@H]([NH2+]CCF)C1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001419273257 922746873 /nfs/dbraw/zinc/74/68/73/922746873.db2.gz KCUVXRYMEKOYRC-OCCSQVGLSA-N 2 2 294.374 0.899 20 0 CCADLP CC(C)[N@@H+]1CCCN(C(=O)C[C@H]([NH3+])C(F)F)CC1 ZINC001342126393 922819827 /nfs/dbraw/zinc/81/98/27/922819827.db2.gz CEJNBUAYEJCHTC-JTQLQIEISA-N 2 2 263.332 0.912 20 0 CCADLP CC(C)[N@H+]1CCCN(C(=O)C[C@H]([NH3+])C(F)F)CC1 ZINC001342126393 922819838 /nfs/dbraw/zinc/81/98/38/922819838.db2.gz CEJNBUAYEJCHTC-JTQLQIEISA-N 2 2 263.332 0.912 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001419470348 922861459 /nfs/dbraw/zinc/86/14/59/922861459.db2.gz MTNYDFOHCJHSTA-WCFLWFBJSA-N 2 2 280.372 0.614 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001419470348 922861470 /nfs/dbraw/zinc/86/14/70/922861470.db2.gz MTNYDFOHCJHSTA-WCFLWFBJSA-N 2 2 280.372 0.614 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CC[NH2+]C1CC1 ZINC001342302387 922903028 /nfs/dbraw/zinc/90/30/28/922903028.db2.gz CVSYHDICKLUQDG-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001419569688 922922038 /nfs/dbraw/zinc/92/20/38/922922038.db2.gz REYXPEQXIUGAED-OLZOCXBDSA-N 2 2 280.372 0.092 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H](C)N(C)C(=O)CCc1[nH+]ccn1C ZINC001419682927 922991176 /nfs/dbraw/zinc/99/11/76/922991176.db2.gz DSYVOAFBRVFFRZ-RYUDHWBXSA-N 2 2 282.388 0.170 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@H](C)[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001419909694 923160093 /nfs/dbraw/zinc/16/00/93/923160093.db2.gz KMMFDUPPTLBZLH-WDEREUQCSA-N 2 2 296.419 0.610 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001419909694 923160096 /nfs/dbraw/zinc/16/00/96/923160096.db2.gz KMMFDUPPTLBZLH-WDEREUQCSA-N 2 2 296.419 0.610 20 0 CCADLP [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001343011826 923166295 /nfs/dbraw/zinc/16/62/95/923166295.db2.gz MCBNGFNQZVGJHY-OXIWPEFWSA-N 2 2 260.341 0.853 20 0 CCADLP [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001343011826 923166305 /nfs/dbraw/zinc/16/63/05/923166305.db2.gz MCBNGFNQZVGJHY-OXIWPEFWSA-N 2 2 260.341 0.853 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2[NH2+]CCc3occc32)C[C@H](C)[NH2+]1 ZINC001343038120 923176656 /nfs/dbraw/zinc/17/66/56/923176656.db2.gz PXXXDTHGOZSTCZ-CWSCBRNRSA-N 2 2 263.341 0.675 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cnccn1 ZINC001419954510 923187272 /nfs/dbraw/zinc/18/72/72/923187272.db2.gz HBSSFZAVUZNVJQ-NEPJUHHUSA-N 2 2 288.355 0.529 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)[C@@H](C)C(N)=O ZINC001419968120 923199239 /nfs/dbraw/zinc/19/92/39/923199239.db2.gz RVLZESJISNTNJO-STQMWFEESA-N 2 2 298.431 0.123 20 0 CCADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)[C@@H](C)C(N)=O ZINC001419968120 923199244 /nfs/dbraw/zinc/19/92/44/923199244.db2.gz RVLZESJISNTNJO-STQMWFEESA-N 2 2 298.431 0.123 20 0 CCADLP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)[C@@H](C)C(N)=O ZINC001419968120 923199250 /nfs/dbraw/zinc/19/92/50/923199250.db2.gz RVLZESJISNTNJO-STQMWFEESA-N 2 2 298.431 0.123 20 0 CCADLP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)[C@@H](C)C(N)=O ZINC001419968120 923199252 /nfs/dbraw/zinc/19/92/52/923199252.db2.gz RVLZESJISNTNJO-STQMWFEESA-N 2 2 298.431 0.123 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001343234159 923243588 /nfs/dbraw/zinc/24/35/88/923243588.db2.gz PZWFUQXZIQBZDP-SUNKGSAMSA-N 2 2 262.357 0.847 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001343234159 923243603 /nfs/dbraw/zinc/24/36/03/923243603.db2.gz PZWFUQXZIQBZDP-SUNKGSAMSA-N 2 2 262.357 0.847 20 0 CCADLP O=C(NCCCNc1cccc[nH+]1)[C@]12CC[C@H]1C[NH2+]C2 ZINC001343392625 923294954 /nfs/dbraw/zinc/29/49/54/923294954.db2.gz QHZMVNSYDGCQPB-WFASDCNBSA-N 2 2 274.368 0.999 20 0 CCADLP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001343525017 923361154 /nfs/dbraw/zinc/36/11/54/923361154.db2.gz GBSVXHJQXLDYCX-JQWIXIFHSA-N 2 2 262.357 0.702 20 0 CCADLP CC[C@H](C(=O)N[C@H]1C[C@H]([NH3+])C1)[N@@H+]1CCO[C@H](CC)C1 ZINC001343610494 923390785 /nfs/dbraw/zinc/39/07/85/923390785.db2.gz XPXHPAXFPCFAMI-FDYHWXHSSA-N 2 2 269.389 0.482 20 0 CCADLP CC[C@H](C(=O)N[C@H]1C[C@H]([NH3+])C1)[N@H+]1CCO[C@H](CC)C1 ZINC001343610494 923390799 /nfs/dbraw/zinc/39/07/99/923390799.db2.gz XPXHPAXFPCFAMI-FDYHWXHSSA-N 2 2 269.389 0.482 20 0 CCADLP Cc1noc(C)c1C[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001420192106 923391546 /nfs/dbraw/zinc/39/15/46/923391546.db2.gz OITPLROKPBVGGC-CQSZACIVSA-N 2 2 294.399 0.934 20 0 CCADLP Cc1noc(C)c1C[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001420192106 923391558 /nfs/dbraw/zinc/39/15/58/923391558.db2.gz OITPLROKPBVGGC-CQSZACIVSA-N 2 2 294.399 0.934 20 0 CCADLP Cc1noc(C)c1C[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001420192106 923391571 /nfs/dbraw/zinc/39/15/71/923391571.db2.gz OITPLROKPBVGGC-CQSZACIVSA-N 2 2 294.399 0.934 20 0 CCADLP Cc1noc(C)c1C[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001420192106 923391583 /nfs/dbraw/zinc/39/15/83/923391583.db2.gz OITPLROKPBVGGC-CQSZACIVSA-N 2 2 294.399 0.934 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001343687614 923421856 /nfs/dbraw/zinc/42/18/56/923421856.db2.gz YQAKQIRXYBPYEA-GVXVVHGQSA-N 2 2 262.357 0.702 20 0 CCADLP [NH3+][C@H](CC(=O)N[C@H]1CC[NH2+]C2(CCC2)C1)C(F)F ZINC001343715135 923437299 /nfs/dbraw/zinc/43/72/99/923437299.db2.gz SNEYOAOCKAVNGQ-DTWKUNHWSA-N 2 2 261.316 0.760 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]([NH3+])CC1CC1 ZINC001343737608 923452974 /nfs/dbraw/zinc/45/29/74/923452974.db2.gz XGXDOCPSCJPAHK-AAEUAGOBSA-N 2 2 269.389 0.293 20 0 CCADLP C[N@H+](CCC[C@H]1CCOC1)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001420309390 923528682 /nfs/dbraw/zinc/52/86/82/923528682.db2.gz SEENTRUOABLPDO-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP C[N@@H+](CCC[C@H]1CCOC1)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001420309390 923528700 /nfs/dbraw/zinc/52/87/00/923528700.db2.gz SEENTRUOABLPDO-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP Cc1oncc1C[NH+](C)CCNC(=O)C[N@@H+](C)C(C)C ZINC001420356328 923573978 /nfs/dbraw/zinc/57/39/78/923573978.db2.gz GAEFWKJZKGUUIX-UHFFFAOYSA-N 2 2 282.388 0.871 20 0 CCADLP Cc1oncc1C[NH+](C)CCNC(=O)C[N@H+](C)C(C)C ZINC001420356328 923573980 /nfs/dbraw/zinc/57/39/80/923573980.db2.gz GAEFWKJZKGUUIX-UHFFFAOYSA-N 2 2 282.388 0.871 20 0 CCADLP Cc1oncc1C[N@@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC001420356328 923573985 /nfs/dbraw/zinc/57/39/85/923573985.db2.gz GAEFWKJZKGUUIX-UHFFFAOYSA-N 2 2 282.388 0.871 20 0 CCADLP Cc1oncc1C[N@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC001420356328 923573990 /nfs/dbraw/zinc/57/39/90/923573990.db2.gz GAEFWKJZKGUUIX-UHFFFAOYSA-N 2 2 282.388 0.871 20 0 CCADLP C[C@@H]1C[C@H](C[N@H+](C)CCNC(=O)Cn2cc[nH+]c2)CCO1 ZINC001420360688 923578144 /nfs/dbraw/zinc/57/81/44/923578144.db2.gz AALWJDRBKCDYKH-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@@H]1C[C@H](C[N@@H+](C)CCNC(=O)Cn2cc[nH+]c2)CCO1 ZINC001420360688 923578148 /nfs/dbraw/zinc/57/81/48/923578148.db2.gz AALWJDRBKCDYKH-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@H](C[N@H+](C)C[C@H]1CCOC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001420584105 923798714 /nfs/dbraw/zinc/79/87/14/923798714.db2.gz VCGOJZWBEFIDSA-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H](C[N@@H+](C)C[C@H]1CCOC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001420584105 923798724 /nfs/dbraw/zinc/79/87/24/923798724.db2.gz VCGOJZWBEFIDSA-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H](C[N@H+](C)C[C@H]1CCOC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001420584105 923798735 /nfs/dbraw/zinc/79/87/35/923798735.db2.gz VCGOJZWBEFIDSA-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H](C[N@@H+](C)C[C@H]1CCOC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001420584105 923798748 /nfs/dbraw/zinc/79/87/48/923798748.db2.gz VCGOJZWBEFIDSA-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001345716881 923957047 /nfs/dbraw/zinc/95/70/47/923957047.db2.gz XKUKULLARHEDPN-BFOXKCCLSA-N 2 2 279.384 0.133 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CC[N@@H+]1CC1CC1 ZINC001420894730 924006430 /nfs/dbraw/zinc/00/64/30/924006430.db2.gz CDWRJGSXUNTFFI-CQSZACIVSA-N 2 2 276.384 0.953 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CC[N@H+]1CC1CC1 ZINC001420894730 924006450 /nfs/dbraw/zinc/00/64/50/924006450.db2.gz CDWRJGSXUNTFFI-CQSZACIVSA-N 2 2 276.384 0.953 20 0 CCADLP Cc1nc(C[NH2+]C2(CNC(=O)CC[NH+](C)C)CC2)c(C)o1 ZINC001420967572 924058556 /nfs/dbraw/zinc/05/85/56/924058556.db2.gz HGOZGLSLIRUWIO-UHFFFAOYSA-N 2 2 294.399 0.982 20 0 CCADLP CC(C)OCC[NH+]1CC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001421043664 924112466 /nfs/dbraw/zinc/11/24/66/924112466.db2.gz VZLDUJOWQCOLGH-OAHLLOKOSA-N 2 2 295.427 0.554 20 0 CCADLP CC[C@H](C[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1)OC ZINC001421138247 924174965 /nfs/dbraw/zinc/17/49/65/924174965.db2.gz KZXBXKUMRVZIFJ-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP C[NH+](C)[C@@H]1C[C@@H]([NH2+]C[C@H](O)C2(O)CCC2)C12CCC2 ZINC001346376922 924181867 /nfs/dbraw/zinc/18/18/67/924181867.db2.gz KDJGIWRQPLOCQJ-UPJWGTAASA-N 2 2 268.401 0.725 20 0 CCADLP CC1=CCCN(C(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC001346571199 924267628 /nfs/dbraw/zinc/26/76/28/924267628.db2.gz YUUNYKHHNIUBNQ-UHFFFAOYSA-N 2 2 266.389 0.771 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC1([NH+](C)C)CCC1 ZINC001347232482 924404066 /nfs/dbraw/zinc/40/40/66/924404066.db2.gz IACKKLSVEPNRCE-UHFFFAOYSA-N 2 2 264.373 0.953 20 0 CCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc[nH+]c(N)n1 ZINC001348170915 924610436 /nfs/dbraw/zinc/61/04/36/924610436.db2.gz AXBRALLUVSGSDR-QWRGUYRKSA-N 2 2 263.345 0.358 20 0 CCADLP [NH3+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCOCC1 ZINC001349611828 925006070 /nfs/dbraw/zinc/00/60/70/925006070.db2.gz HVUVUMVDXPQTHZ-NXEZZACHSA-N 2 2 264.329 0.137 20 0 CCADLP [NH3+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCOCC1 ZINC001349611828 925006075 /nfs/dbraw/zinc/00/60/75/925006075.db2.gz HVUVUMVDXPQTHZ-NXEZZACHSA-N 2 2 264.329 0.137 20 0 CCADLP C[NH+]1CCC(ONC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001349644036 925012061 /nfs/dbraw/zinc/01/20/61/925012061.db2.gz IOKRBUQFLXIKBS-LLVKDONJSA-N 2 2 278.356 0.588 20 0 CCADLP Cc1n[nH]c(C)c1C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC001351678535 925452494 /nfs/dbraw/zinc/45/24/94/925452494.db2.gz CEUGYFHJLRCFSW-UHFFFAOYSA-N 2 2 262.317 0.271 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[NH2+]1 ZINC001352453226 925579746 /nfs/dbraw/zinc/57/97/46/925579746.db2.gz YJTFJWDYFHFKAU-LBPRGKRZSA-N 2 2 264.373 0.809 20 0 CCADLP CCN1C[C@H](C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)OC1=O ZINC001352923951 925672520 /nfs/dbraw/zinc/67/25/20/925672520.db2.gz ARVHCCRABKIILX-RWMBFGLXSA-N 2 2 267.373 0.853 20 0 CCADLP CCN1C[C@H](C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)OC1=O ZINC001352923951 925672524 /nfs/dbraw/zinc/67/25/24/925672524.db2.gz ARVHCCRABKIILX-RWMBFGLXSA-N 2 2 267.373 0.853 20 0 CCADLP CCN1C[C@H](C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)OC1=O ZINC001352923951 925672532 /nfs/dbraw/zinc/67/25/32/925672532.db2.gz ARVHCCRABKIILX-RWMBFGLXSA-N 2 2 267.373 0.853 20 0 CCADLP CCN1C[C@H](C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)OC1=O ZINC001352923951 925672538 /nfs/dbraw/zinc/67/25/38/925672538.db2.gz ARVHCCRABKIILX-RWMBFGLXSA-N 2 2 267.373 0.853 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)N[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001353430819 925830599 /nfs/dbraw/zinc/83/05/99/925830599.db2.gz RHEJUFNDFKYQGD-PTEHBNRSSA-N 2 2 266.389 0.507 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)CCSCCC[NH3+] ZINC001353583635 925876799 /nfs/dbraw/zinc/87/67/99/925876799.db2.gz SGFJTDAAPPLADY-UHFFFAOYSA-N 2 2 256.375 0.806 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC(C)([NH3+])CC1 ZINC001353624138 925886368 /nfs/dbraw/zinc/88/63/68/925886368.db2.gz YFKJRUPAKPRPKC-GHMZBOCLSA-N 2 2 262.357 0.863 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001353666931 925899055 /nfs/dbraw/zinc/89/90/55/925899055.db2.gz RDNQNJQLSKNAQP-ZYHUDNBSSA-N 2 2 266.345 0.083 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001353666931 925899057 /nfs/dbraw/zinc/89/90/57/925899057.db2.gz RDNQNJQLSKNAQP-ZYHUDNBSSA-N 2 2 266.345 0.083 20 0 CCADLP O=C(C[NH+]1CCC(CO)CC1)NCC[N@H+]1CC=CCC1 ZINC001353678479 925902322 /nfs/dbraw/zinc/90/23/22/925902322.db2.gz KLPNQEJMSIFXER-UHFFFAOYSA-N 2 2 281.400 0.069 20 0 CCADLP O=C(C[NH+]1CCC(CO)CC1)NCC[N@@H+]1CC=CCC1 ZINC001353678479 925902326 /nfs/dbraw/zinc/90/23/26/925902326.db2.gz KLPNQEJMSIFXER-UHFFFAOYSA-N 2 2 281.400 0.069 20 0 CCADLP C[C@H](Nc1cc[nH+]c(CO)c1)[C@H]1CN(C)CC[N@@H+]1C ZINC001354266334 926061613 /nfs/dbraw/zinc/06/16/13/926061613.db2.gz LGLJQLSYKFUZQD-SMDDNHRTSA-N 2 2 264.373 0.620 20 0 CCADLP C[C@H](Nc1cc[nH+]c(CO)c1)[C@H]1CN(C)CC[N@H+]1C ZINC001354266334 926061621 /nfs/dbraw/zinc/06/16/21/926061621.db2.gz LGLJQLSYKFUZQD-SMDDNHRTSA-N 2 2 264.373 0.620 20 0 CCADLP [NH3+]CCCOCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001354424480 926105866 /nfs/dbraw/zinc/10/58/66/926105866.db2.gz PXAFEPUWYOGOAZ-UHFFFAOYSA-N 2 2 262.313 0.658 20 0 CCADLP CC(C)[C@@H](C[NH+](C)C)[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC001357243850 926501652 /nfs/dbraw/zinc/50/16/52/926501652.db2.gz VMBBYZIZHMQPPD-CHWSQXEVSA-N 2 2 258.406 0.828 20 0 CCADLP CC[C@@H]1C[C@H]1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001357372858 926518781 /nfs/dbraw/zinc/51/87/81/926518781.db2.gz GJFSCHIGIRCTNY-ZYHUDNBSSA-N 2 2 254.378 0.507 20 0 CCADLP C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCCCCNc1cccc[nH+]1 ZINC001357391947 926524447 /nfs/dbraw/zinc/52/44/47/926524447.db2.gz PDWWDRKTDVVKLI-CHWSQXEVSA-N 2 2 294.399 0.606 20 0 CCADLP CN(C(=O)NCC[NH+]1CCC([NH3+])CC1)C1CCC1 ZINC001357582174 926563240 /nfs/dbraw/zinc/56/32/40/926563240.db2.gz LLNFRXBRSPFASR-UHFFFAOYSA-N 2 2 254.378 0.603 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C[NH2+]1 ZINC001357939172 926612192 /nfs/dbraw/zinc/61/21/92/926612192.db2.gz RUOTXCWGFCQFMY-WOPDTQHZSA-N 2 2 262.357 0.702 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)N1CCNCC[NH2+]CC1 ZINC001358224786 926655269 /nfs/dbraw/zinc/65/52/69/926655269.db2.gz UPOFKHVEVMELDU-UHFFFAOYSA-N 2 2 279.388 0.028 20 0 CCADLP C[C@H]([NH2+]CCO)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001421552032 926794549 /nfs/dbraw/zinc/79/45/49/926794549.db2.gz VRDMHTLYPUUIJC-QWHCGFSZSA-N 2 2 294.399 0.172 20 0 CCADLP C[C@H](CN1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)C[NH+]1CCOCC1 ZINC001414005313 926812294 /nfs/dbraw/zinc/81/22/94/926812294.db2.gz LRLAEHNPYCUPRV-HRCADAONSA-N 2 2 299.459 0.342 20 0 CCADLP C[C@H](CN1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)C[NH+]1CCOCC1 ZINC001414005313 926812305 /nfs/dbraw/zinc/81/23/05/926812305.db2.gz LRLAEHNPYCUPRV-HRCADAONSA-N 2 2 299.459 0.342 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001422000924 927031715 /nfs/dbraw/zinc/03/17/15/927031715.db2.gz XEQNGYMYKSABEE-WDEREUQCSA-N 2 2 282.388 0.505 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1CCCO ZINC001422121316 927081275 /nfs/dbraw/zinc/08/12/75/927081275.db2.gz MJYUSMFAJVXRCQ-CHWSQXEVSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1CCCO ZINC001422121316 927081289 /nfs/dbraw/zinc/08/12/89/927081289.db2.gz MJYUSMFAJVXRCQ-CHWSQXEVSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1CCCO ZINC001422121316 927081303 /nfs/dbraw/zinc/08/13/03/927081303.db2.gz MJYUSMFAJVXRCQ-CHWSQXEVSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1CCCO ZINC001422121316 927081319 /nfs/dbraw/zinc/08/13/19/927081319.db2.gz MJYUSMFAJVXRCQ-CHWSQXEVSA-N 2 2 294.399 0.694 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CCC[C@H]1C[N@H+](C)CCO ZINC001422250201 927173930 /nfs/dbraw/zinc/17/39/30/927173930.db2.gz FSDCUZYNPWYROO-AWEZNQCLSA-N 2 2 294.399 0.268 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CCC[C@H]1C[N@@H+](C)CCO ZINC001422250201 927173937 /nfs/dbraw/zinc/17/39/37/927173937.db2.gz FSDCUZYNPWYROO-AWEZNQCLSA-N 2 2 294.399 0.268 20 0 CCADLP COC[C@H](C)[NH2+]C[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001422508143 927332509 /nfs/dbraw/zinc/33/25/09/927332509.db2.gz RKLGNLUHPIYACS-NEPJUHHUSA-N 2 2 295.383 0.762 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[NH2+]C[C@H](C)O)c[nH+]1 ZINC001422508647 927334952 /nfs/dbraw/zinc/33/49/52/927334952.db2.gz UVKWCMCBJKKOOP-PWSUYJOCSA-N 2 2 282.388 0.402 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+]Cc1nnc(C)o1 ZINC001422543664 927359276 /nfs/dbraw/zinc/35/92/76/927359276.db2.gz QNFZONLPYUARGB-SECBINFHSA-N 2 2 292.343 0.177 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H]1CC[NH+](C)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC001361832838 927366752 /nfs/dbraw/zinc/36/67/52/927366752.db2.gz ICQNRKCBQRVYEV-ZNMIVQPWSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H]1CC[NH+](C)C1)[N@H+]1CCO[C@H](CC)C1 ZINC001361832838 927366764 /nfs/dbraw/zinc/36/67/64/927366764.db2.gz ICQNRKCBQRVYEV-ZNMIVQPWSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)[NH+]1CCO[C@H](CC)C1 ZINC001361832838 927366774 /nfs/dbraw/zinc/36/67/74/927366774.db2.gz ICQNRKCBQRVYEV-ZNMIVQPWSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C)C1)[NH+]1CCO[C@H](CC)C1 ZINC001361832838 927366786 /nfs/dbraw/zinc/36/67/86/927366786.db2.gz ICQNRKCBQRVYEV-ZNMIVQPWSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[NH+]1CC(CCO)(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001422627960 927421009 /nfs/dbraw/zinc/42/10/09/927421009.db2.gz BUOVBMIQSIYGFD-UHFFFAOYSA-N 2 2 295.427 0.576 20 0 CCADLP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1nonc1C)[NH+](C)C ZINC001423080327 927665957 /nfs/dbraw/zinc/66/59/57/927665957.db2.gz SPTJFQBGKBLGND-GXFFZTMASA-N 2 2 297.403 0.655 20 0 CCADLP C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cnn(C)c1 ZINC001423137862 927690510 /nfs/dbraw/zinc/69/05/10/927690510.db2.gz VELWPUVMLAHSIM-LLVKDONJSA-N 2 2 290.371 0.322 20 0 CCADLP CO[C@@H](C)C[NH2+]C1(CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001423296366 927797887 /nfs/dbraw/zinc/79/78/87/927797887.db2.gz AZGBRANLDLOMQN-JTQLQIEISA-N 2 2 280.372 0.534 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001362273742 927810275 /nfs/dbraw/zinc/81/02/75/927810275.db2.gz XZDUJBHNMWTILH-CYBMUJFWSA-N 2 2 297.399 0.223 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001362273742 927810285 /nfs/dbraw/zinc/81/02/85/927810285.db2.gz XZDUJBHNMWTILH-CYBMUJFWSA-N 2 2 297.399 0.223 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N1CC[NH+](CCC(=O)OC)C[C@H]1C ZINC001362295699 927840689 /nfs/dbraw/zinc/84/06/89/927840689.db2.gz OXJYKULXEDCLDI-CHWSQXEVSA-N 2 2 297.399 0.176 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N1CC[NH+](CCC(=O)OC)C[C@H]1C ZINC001362295699 927840705 /nfs/dbraw/zinc/84/07/05/927840705.db2.gz OXJYKULXEDCLDI-CHWSQXEVSA-N 2 2 297.399 0.176 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC001362295699 927840719 /nfs/dbraw/zinc/84/07/19/927840719.db2.gz OXJYKULXEDCLDI-CHWSQXEVSA-N 2 2 297.399 0.176 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC001362295699 927840732 /nfs/dbraw/zinc/84/07/32/927840732.db2.gz OXJYKULXEDCLDI-CHWSQXEVSA-N 2 2 297.399 0.176 20 0 CCADLP CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001423446699 927865286 /nfs/dbraw/zinc/86/52/86/927865286.db2.gz PDIJKNMMVZSHNJ-UONOGXRCSA-N 2 2 296.415 0.899 20 0 CCADLP CC(C)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001423796599 927983504 /nfs/dbraw/zinc/98/35/04/927983504.db2.gz RFDCOZDSPXKHIU-AWEZNQCLSA-N 2 2 280.372 0.161 20 0 CCADLP CC(C)C[N@H+]1CC[C@](O)(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001423796599 927983517 /nfs/dbraw/zinc/98/35/17/927983517.db2.gz RFDCOZDSPXKHIU-AWEZNQCLSA-N 2 2 280.372 0.161 20 0 CCADLP CC(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001424118387 928103712 /nfs/dbraw/zinc/10/37/12/928103712.db2.gz DGLXSRYFPUMLHG-OAHLLOKOSA-N 2 2 297.443 0.945 20 0 CCADLP CC(C)CC[N@H+]1CCOC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001424118387 928103717 /nfs/dbraw/zinc/10/37/17/928103717.db2.gz DGLXSRYFPUMLHG-OAHLLOKOSA-N 2 2 297.443 0.945 20 0 CCADLP CC[NH+]1CCC(CO)(NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001424657848 928240045 /nfs/dbraw/zinc/24/00/45/928240045.db2.gz ZWGKUBFUGJGKDU-UHFFFAOYSA-N 2 2 294.399 0.626 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001362705738 928386955 /nfs/dbraw/zinc/38/69/55/928386955.db2.gz MEHWDCLGDLAYBC-NEPJUHHUSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001362705738 928386969 /nfs/dbraw/zinc/38/69/69/928386969.db2.gz MEHWDCLGDLAYBC-NEPJUHHUSA-N 2 2 280.372 0.256 20 0 CCADLP CO[C@@H](C)C[N@H+](C)[C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001424991028 928388102 /nfs/dbraw/zinc/38/81/02/928388102.db2.gz BUWSOKYGMFMIML-OLZOCXBDSA-N 2 2 296.415 0.824 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)[C@H](C)CNC(=O)CCc1[nH+]ccn1C ZINC001424991028 928388115 /nfs/dbraw/zinc/38/81/15/928388115.db2.gz BUWSOKYGMFMIML-OLZOCXBDSA-N 2 2 296.415 0.824 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)[NH+](C)CCF)C1 ZINC001425073633 928424973 /nfs/dbraw/zinc/42/49/73/928424973.db2.gz SFWPCNNUDMTHIQ-RYUDHWBXSA-N 2 2 275.368 0.113 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)[NH+](C)CCF)C1 ZINC001425073633 928424984 /nfs/dbraw/zinc/42/49/84/928424984.db2.gz SFWPCNNUDMTHIQ-RYUDHWBXSA-N 2 2 275.368 0.113 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H](C)[N@H+](C)CCF)C1 ZINC001425073633 928424992 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O=C(CCn1cc[nH+]c1)N[C@@]12CCC[C@H]1[N@@H+](CCO)CC2 ZINC001425910182 928705441 /nfs/dbraw/zinc/70/54/41/928705441.db2.gz NNAOVEORTHLOBE-UKRRQHHQSA-N 2 2 292.383 0.379 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N2CC([NH2+][C@H]3CCOC3)C2)c[nH+]1 ZINC001362986200 928729612 /nfs/dbraw/zinc/72/96/12/928729612.db2.gz BKBWNBQKPLQMPN-LBPRGKRZSA-N 2 2 292.383 0.516 20 0 CCADLP O=C([C@H]1CCC[NH+]1C1CC1)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001363037913 928789322 /nfs/dbraw/zinc/78/93/22/928789322.db2.gz JAIGWCBPHRQFEI-FPMFFAJLSA-N 2 2 281.375 0.868 20 0 CCADLP O=C([C@H]1CCC[NH+]1C1CC1)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001363037913 928789323 /nfs/dbraw/zinc/78/93/23/928789323.db2.gz JAIGWCBPHRQFEI-FPMFFAJLSA-N 2 2 281.375 0.868 20 0 CCADLP O=C([C@H]1CCC[N@@H+]1C1CC1)N1CC[NH+]2C[C@@H](F)C[C@H]2C1 ZINC001363037913 928789329 /nfs/dbraw/zinc/78/93/29/928789329.db2.gz JAIGWCBPHRQFEI-FPMFFAJLSA-N 2 2 281.375 0.868 20 0 CCADLP O=C([C@H]1CCC[N@H+]1C1CC1)N1CC[NH+]2C[C@@H](F)C[C@H]2C1 ZINC001363037913 928789335 /nfs/dbraw/zinc/78/93/35/928789335.db2.gz JAIGWCBPHRQFEI-FPMFFAJLSA-N 2 2 281.375 0.868 20 0 CCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)C1 ZINC001363518072 929320528 /nfs/dbraw/zinc/32/05/28/929320528.db2.gz CJIXWERJJPVFDR-JSGCOSHPSA-N 2 2 294.399 0.551 20 0 CCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@H](CO)Cc2c[nH]c[nH+]2)C1 ZINC001363518072 929320532 /nfs/dbraw/zinc/32/05/32/929320532.db2.gz CJIXWERJJPVFDR-JSGCOSHPSA-N 2 2 294.399 0.551 20 0 CCADLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)C1 ZINC001363518072 929320545 /nfs/dbraw/zinc/32/05/45/929320545.db2.gz CJIXWERJJPVFDR-JSGCOSHPSA-N 2 2 294.399 0.551 20 0 CCADLP CCC[N@H+]1CCC[C@H](C(=O)N[C@H](CO)Cc2c[nH+]c[nH]2)C1 ZINC001363518072 929320556 /nfs/dbraw/zinc/32/05/56/929320556.db2.gz CJIXWERJJPVFDR-JSGCOSHPSA-N 2 2 294.399 0.551 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NCC1C[NH+](CCCO)C1 ZINC001443666032 929668635 /nfs/dbraw/zinc/66/86/35/929668635.db2.gz LDGDTLCGNOZLPV-UHFFFAOYSA-N 2 2 280.372 0.094 20 0 CCADLP CC[C@H](CNC(=O)Cc1c[nH+]ccc1OC)[NH2+]C[C@@H](C)O ZINC001443934205 929745878 /nfs/dbraw/zinc/74/58/78/929745878.db2.gz CAZYCUAIRUWOEI-DGCLKSJQSA-N 2 2 295.383 0.498 20 0 CCADLP CC[N@H+](CCNC(=O)Cc1c[nH+]ccc1OC)C[C@H](C)O ZINC001372365600 929822495 /nfs/dbraw/zinc/82/24/95/929822495.db2.gz ZBWMEYCZJFTFTC-LBPRGKRZSA-N 2 2 295.383 0.452 20 0 CCADLP CC[N@@H+](CCNC(=O)Cc1c[nH+]ccc1OC)C[C@H](C)O ZINC001372365600 929822500 /nfs/dbraw/zinc/82/25/00/929822500.db2.gz ZBWMEYCZJFTFTC-LBPRGKRZSA-N 2 2 295.383 0.452 20 0 CCADLP C[C@H](C[NH2+]C[C@H](C)O)N(C)C(=O)CCCn1cc[nH+]c1 ZINC001444732544 929942651 /nfs/dbraw/zinc/94/26/51/929942651.db2.gz UZWRCVFGWZIFPR-OLZOCXBDSA-N 2 2 282.388 0.481 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H](O)C[NH2+]CC1CCC1 ZINC001445198250 930062315 /nfs/dbraw/zinc/06/23/15/930062315.db2.gz KOBSIAVGZPRDBJ-ZDUSSCGKSA-N 2 2 280.372 0.209 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H](O)C[NH2+]CC1CCC1 ZINC001445198250 930062323 /nfs/dbraw/zinc/06/23/23/930062323.db2.gz KOBSIAVGZPRDBJ-ZDUSSCGKSA-N 2 2 280.372 0.209 20 0 CCADLP C[N@H+](CCO)C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001373310030 930136822 /nfs/dbraw/zinc/13/68/22/930136822.db2.gz HBISMTNAKHPWDQ-CQSZACIVSA-N 2 2 294.399 0.436 20 0 CCADLP C[N@@H+](CCO)C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001373310030 930136828 /nfs/dbraw/zinc/13/68/28/930136828.db2.gz HBISMTNAKHPWDQ-CQSZACIVSA-N 2 2 294.399 0.436 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001373453067 930200363 /nfs/dbraw/zinc/20/03/63/930200363.db2.gz CYKPNZJBQLYEAY-WCQYABFASA-N 2 2 271.405 0.408 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCC2C[NH+](C[C@@H](C)O)C2)c[nH+]1 ZINC001373513563 930227473 /nfs/dbraw/zinc/22/74/73/930227473.db2.gz CYGIASIHSIGIDG-GFCCVEGCSA-N 2 2 294.399 0.355 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC1C[NH+](CCCF)C1 ZINC001373526988 930231493 /nfs/dbraw/zinc/23/14/93/930231493.db2.gz SCRRPDFHUIWHAN-UHFFFAOYSA-N 2 2 282.363 0.760 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC1C[NH+](C/C=C\Cl)C1 ZINC001373522247 930232607 /nfs/dbraw/zinc/23/26/07/930232607.db2.gz NZYCUZHFKYVTPS-IHWYPQMZSA-N 2 2 282.775 0.992 20 0 CCADLP C[C@H](O)CCC[N@H+](C)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001445836742 930266405 /nfs/dbraw/zinc/26/64/05/930266405.db2.gz SSWYDHQZBNRSTE-RYUDHWBXSA-N 2 2 282.388 0.550 20 0 CCADLP C[C@H](O)CCC[N@@H+](C)C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001445836742 930266416 /nfs/dbraw/zinc/26/64/16/930266416.db2.gz SSWYDHQZBNRSTE-RYUDHWBXSA-N 2 2 282.388 0.550 20 0 CCADLP COC[C@H](C)[NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001445988337 930299621 /nfs/dbraw/zinc/29/96/21/930299621.db2.gz WVVNCUYELHKSDV-GWCFXTLKSA-N 2 2 280.372 0.472 20 0 CCADLP COC[C@H](C)[NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001445988340 930300225 /nfs/dbraw/zinc/30/02/25/930300225.db2.gz WVVNCUYELHKSDV-GXFFZTMASA-N 2 2 280.372 0.472 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@@H](NC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001445997651 930302644 /nfs/dbraw/zinc/30/26/44/930302644.db2.gz ZAEQGGGOZOPOEZ-BXUZGUMPSA-N 2 2 294.399 0.482 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]Cc2cnon2)CC1 ZINC001446206441 930366791 /nfs/dbraw/zinc/36/67/91/930366791.db2.gz LQQFRPDIMIFLMO-GFCCVEGCSA-N 2 2 293.371 0.292 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]Cc2cnon2)CC1 ZINC001446206441 930366801 /nfs/dbraw/zinc/36/68/01/930366801.db2.gz LQQFRPDIMIFLMO-GFCCVEGCSA-N 2 2 293.371 0.292 20 0 CCADLP CCCC[N@@H+]1CCO[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001374140881 930433636 /nfs/dbraw/zinc/43/36/36/930433636.db2.gz JFYZXWYENMERPJ-CQSZACIVSA-N 2 2 294.399 0.809 20 0 CCADLP CCCC[N@H+]1CCO[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001374140881 930433646 /nfs/dbraw/zinc/43/36/46/930433646.db2.gz JFYZXWYENMERPJ-CQSZACIVSA-N 2 2 294.399 0.809 20 0 CCADLP CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCOCC1 ZINC001446710491 930463176 /nfs/dbraw/zinc/46/31/76/930463176.db2.gz IAEJKZGNJBLLEG-VXGBXAGGSA-N 2 2 292.383 0.788 20 0 CCADLP CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCOCC1 ZINC001446710491 930463180 /nfs/dbraw/zinc/46/31/80/930463180.db2.gz IAEJKZGNJBLLEG-VXGBXAGGSA-N 2 2 292.383 0.788 20 0 CCADLP C[C@@H](C[NH2+]Cc1csnn1)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001374269626 930474084 /nfs/dbraw/zinc/47/40/84/930474084.db2.gz ARFHGMSUNQOZKU-CMPLNLGQSA-N 2 2 297.428 0.569 20 0 CCADLP C[C@@H](C[NH2+]Cc1csnn1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001374269626 930474091 /nfs/dbraw/zinc/47/40/91/930474091.db2.gz ARFHGMSUNQOZKU-CMPLNLGQSA-N 2 2 297.428 0.569 20 0 CCADLP C[C@@H](C[NH2+]Cc1csnn1)N(C)C(=O)CCC[NH+](C)C ZINC001374289169 930478610 /nfs/dbraw/zinc/47/86/10/930478610.db2.gz VVOZCVWNNRXFAQ-NSHDSACASA-N 2 2 299.444 0.816 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CCO ZINC001374450532 930512081 /nfs/dbraw/zinc/51/20/81/930512081.db2.gz HINRFNUMFUEHQC-OLZOCXBDSA-N 2 2 294.399 0.168 20 0 CCADLP C[C@H]([NH2+]CCO)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001446939260 930523520 /nfs/dbraw/zinc/52/35/20/930523520.db2.gz HBCSXLOKFQTTFI-KBPBESRZSA-N 2 2 294.399 0.482 20 0 CCADLP C[C@H](C[NH2+]C[C@@H]1CCOC1)NC(=O)CCc1[nH+]ccn1C ZINC001374788026 930664962 /nfs/dbraw/zinc/66/49/62/930664962.db2.gz DTVNPHIZCZDIQK-OLZOCXBDSA-N 2 2 294.399 0.484 20 0 CCADLP CCc1noc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001374873937 930700838 /nfs/dbraw/zinc/70/08/38/930700838.db2.gz VRYOFPHLYKSPIH-WDEREUQCSA-N 2 2 295.387 0.321 20 0 CCADLP CCc1noc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001374873937 930700853 /nfs/dbraw/zinc/70/08/53/930700853.db2.gz VRYOFPHLYKSPIH-WDEREUQCSA-N 2 2 295.387 0.321 20 0 CCADLP Cc1noc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001374873673 930704707 /nfs/dbraw/zinc/70/47/07/930704707.db2.gz RJKPGXJUTRLIMM-ONGXEEELSA-N 2 2 281.360 0.067 20 0 CCADLP Cc1noc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001374873673 930704718 /nfs/dbraw/zinc/70/47/18/930704718.db2.gz RJKPGXJUTRLIMM-ONGXEEELSA-N 2 2 281.360 0.067 20 0 CCADLP C[C@@H](C[NH2+]C[C@@H]1CC(C)(C)CO1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001374936802 930731730 /nfs/dbraw/zinc/73/17/30/930731730.db2.gz WUUDPQRVQOHQGY-AAEUAGOBSA-N 2 2 294.399 0.862 20 0 CCADLP COCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001448046900 930799195 /nfs/dbraw/zinc/79/91/95/930799195.db2.gz NZBSORBRGJSSSA-QWHCGFSZSA-N 2 2 294.399 0.528 20 0 CCADLP COCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001448046900 930799203 /nfs/dbraw/zinc/79/92/03/930799203.db2.gz NZBSORBRGJSSSA-QWHCGFSZSA-N 2 2 294.399 0.528 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)C[C@H]1CCCOC1 ZINC001448122371 930827016 /nfs/dbraw/zinc/82/70/16/930827016.db2.gz PBBOKRKXMGVGTN-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)C[C@H]1CCCOC1 ZINC001448122371 930827032 /nfs/dbraw/zinc/82/70/32/930827032.db2.gz PBBOKRKXMGVGTN-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001375512839 930903930 /nfs/dbraw/zinc/90/39/30/930903930.db2.gz PCBMKNPOBJPZAS-RWMBFGLXSA-N 2 2 294.399 0.482 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001448783393 930980300 /nfs/dbraw/zinc/98/03/00/930980300.db2.gz LSKYRSXKXSTESY-PWSUYJOCSA-N 2 2 295.387 0.266 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001448783393 930980308 /nfs/dbraw/zinc/98/03/08/930980308.db2.gz LSKYRSXKXSTESY-PWSUYJOCSA-N 2 2 295.387 0.266 20 0 CCADLP C[C@@H](CC[NH+](C)C)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC001448791259 930984992 /nfs/dbraw/zinc/98/49/92/930984992.db2.gz DTOUGBGWUVSGLW-KBPBESRZSA-N 2 2 285.432 0.753 20 0 CCADLP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC(=O)NC(C)C)C1)[NH+](C)C ZINC001376150779 931072777 /nfs/dbraw/zinc/07/27/77/931072777.db2.gz SPUHIWTVLGNHPF-STQMWFEESA-N 2 2 298.431 0.042 20 0 CCADLP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)NC(C)C)C1)[NH+](C)C ZINC001376150779 931072779 /nfs/dbraw/zinc/07/27/79/931072779.db2.gz SPUHIWTVLGNHPF-STQMWFEESA-N 2 2 298.431 0.042 20 0 CCADLP CC(C)[NH+]1CC(O)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001376225109 931097441 /nfs/dbraw/zinc/09/74/41/931097441.db2.gz UALUYIKPELYWAO-UHFFFAOYSA-N 2 2 283.416 0.432 20 0 CCADLP CC(C)N(CC[N@@H+](C)CCO)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001449276643 931116543 /nfs/dbraw/zinc/11/65/43/931116543.db2.gz CWMVVXQZZMQIGO-ZDUSSCGKSA-N 2 2 296.415 0.749 20 0 CCADLP CC(C)N(CC[N@H+](C)CCO)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001449276643 931116540 /nfs/dbraw/zinc/11/65/40/931116540.db2.gz CWMVVXQZZMQIGO-ZDUSSCGKSA-N 2 2 296.415 0.749 20 0 CCADLP CC(C)N(CC[N@@H+](C)CCO)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001449276643 931116552 /nfs/dbraw/zinc/11/65/52/931116552.db2.gz CWMVVXQZZMQIGO-ZDUSSCGKSA-N 2 2 296.415 0.749 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)CC[NH+]2CCOC(C)(C)C2)CCO1 ZINC000337448557 214087425 /nfs/dbraw/zinc/08/74/25/214087425.db2.gz DDGLWELBOBQYAJ-OAHLLOKOSA-N 2 2 299.459 0.750 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)CC[NH+]2CCOC(C)(C)C2)CCO1 ZINC000337448557 214087428 /nfs/dbraw/zinc/08/74/28/214087428.db2.gz DDGLWELBOBQYAJ-OAHLLOKOSA-N 2 2 299.459 0.750 20 0 CCADLP C[C@@H]1C[NH+](CCN(C)CC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC000337448557 214087430 /nfs/dbraw/zinc/08/74/30/214087430.db2.gz DDGLWELBOBQYAJ-OAHLLOKOSA-N 2 2 299.459 0.750 20 0 CCADLP C[C@@H]1C[NH+](CCN(C)CC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC000337448557 214087433 /nfs/dbraw/zinc/08/74/33/214087433.db2.gz DDGLWELBOBQYAJ-OAHLLOKOSA-N 2 2 299.459 0.750 20 0 CCADLP COC(=O)CC[N@H+](CC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000093173899 349529340 /nfs/dbraw/zinc/52/93/40/349529340.db2.gz XXSNDOCDDUMBLN-UHFFFAOYSA-N 2 2 285.388 0.034 20 0 CCADLP COC(=O)CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000093173899 349529343 /nfs/dbraw/zinc/52/93/43/349529343.db2.gz XXSNDOCDDUMBLN-UHFFFAOYSA-N 2 2 285.388 0.034 20 0 CCADLP CC[C@@H](O)[C@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000093175132 349529980 /nfs/dbraw/zinc/52/99/80/349529980.db2.gz JCQCGDHDNYSNQO-ZIAGYGMSSA-N 2 2 283.416 0.386 20 0 CCADLP CC[C@@H](O)[C@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000093175132 349529981 /nfs/dbraw/zinc/52/99/81/349529981.db2.gz JCQCGDHDNYSNQO-ZIAGYGMSSA-N 2 2 283.416 0.386 20 0 CCADLP NC(=O)NC(=O)OCCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000093193724 349530770 /nfs/dbraw/zinc/53/07/70/349530770.db2.gz UHNIGGHQDQFYJY-SNVBAGLBSA-N 2 2 295.343 0.784 20 0 CCADLP NC(=O)NC(=O)OCCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000093193724 349530772 /nfs/dbraw/zinc/53/07/72/349530772.db2.gz UHNIGGHQDQFYJY-SNVBAGLBSA-N 2 2 295.343 0.784 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000617342587 365611154 /nfs/dbraw/zinc/61/11/54/365611154.db2.gz GINWXIMDPPBKKO-NSHDSACASA-N 2 2 250.346 0.872 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000617342587 365611156 /nfs/dbraw/zinc/61/11/56/365611156.db2.gz GINWXIMDPPBKKO-NSHDSACASA-N 2 2 250.346 0.872 20 0 CCADLP COC(=O)CCNC(=O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000337640640 214191681 /nfs/dbraw/zinc/19/16/81/214191681.db2.gz FMRKPGGNONHIFY-UHFFFAOYSA-N 2 2 299.415 0.470 20 0 CCADLP COC(=O)CCNC(=O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000337640640 214191683 /nfs/dbraw/zinc/19/16/83/214191683.db2.gz FMRKPGGNONHIFY-UHFFFAOYSA-N 2 2 299.415 0.470 20 0 CCADLP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C[NH3+])C1 ZINC000093697603 349551413 /nfs/dbraw/zinc/55/14/13/349551413.db2.gz ZHZJGSUYTICJDC-CHWSQXEVSA-N 2 2 289.445 0.471 20 0 CCADLP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C[NH3+])C1 ZINC000093697603 349551415 /nfs/dbraw/zinc/55/14/15/349551415.db2.gz ZHZJGSUYTICJDC-CHWSQXEVSA-N 2 2 289.445 0.471 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC2=CCCOC2)CC1 ZINC000093821339 349554719 /nfs/dbraw/zinc/55/47/19/349554719.db2.gz CRMBPKNYBHSCFN-HNNXBMFYSA-N 2 2 293.411 0.572 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC2=CCCOC2)CC1 ZINC000093821339 349554724 /nfs/dbraw/zinc/55/47/24/349554724.db2.gz CRMBPKNYBHSCFN-HNNXBMFYSA-N 2 2 293.411 0.572 20 0 CCADLP CCCCn1nnnc1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094072233 349560008 /nfs/dbraw/zinc/56/00/08/349560008.db2.gz BDFJQGGIGNZQMI-UHFFFAOYSA-N 2 2 296.419 0.803 20 0 CCADLP COC(=O)[C@]1(OC)CC[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000600190863 361885937 /nfs/dbraw/zinc/88/59/37/361885937.db2.gz NLAHOMABXBXXPI-ZDUSSCGKSA-N 2 2 267.329 0.492 20 0 CCADLP COC(=O)[C@]1(OC)CC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000600190863 361885945 /nfs/dbraw/zinc/88/59/45/361885945.db2.gz NLAHOMABXBXXPI-ZDUSSCGKSA-N 2 2 267.329 0.492 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@@H](C)C[NH2+]C)CCO1 ZINC000418381505 529391618 /nfs/dbraw/zinc/39/16/18/529391618.db2.gz HYSYWOKEBVFMGA-QWHCGFSZSA-N 2 2 286.420 0.252 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H](C)C[NH2+]C)CCO1 ZINC000418381505 529391619 /nfs/dbraw/zinc/39/16/19/529391619.db2.gz HYSYWOKEBVFMGA-QWHCGFSZSA-N 2 2 286.420 0.252 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[NH+](CC2CC2)CC1 ZINC000338058510 214381807 /nfs/dbraw/zinc/38/18/07/214381807.db2.gz FPUOGEFVQRXQFB-UHFFFAOYSA-N 2 2 262.357 0.827 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000418729186 529445338 /nfs/dbraw/zinc/44/53/38/529445338.db2.gz NSUQASVTCCNHQM-RYUDHWBXSA-N 2 2 294.403 0.535 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000418706672 529445757 /nfs/dbraw/zinc/44/57/57/529445757.db2.gz FSVFPXUGWCIQLP-LBPRGKRZSA-N 2 2 277.372 0.651 20 0 CCADLP [NH3+]CC(=O)N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000098148247 349654207 /nfs/dbraw/zinc/65/42/07/349654207.db2.gz GJLRBBLTYIYOLV-UHFFFAOYSA-N 2 2 291.351 0.061 20 0 CCADLP CC[C@@H](C[NH+]1CCN(c2[nH+]ccn2C)CC1)OC ZINC000412978979 529474263 /nfs/dbraw/zinc/47/42/63/529474263.db2.gz RNBGZLGOFREWCL-LBPRGKRZSA-N 2 2 252.362 0.967 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@@H]3CCC[NH2+]C3)CC2)cc[nH+]1 ZINC000423777917 282186560 /nfs/dbraw/zinc/18/65/60/282186560.db2.gz GMSDINXZVBXGSD-CYBMUJFWSA-N 2 2 289.383 0.433 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000417920881 529564996 /nfs/dbraw/zinc/56/49/96/529564996.db2.gz HGODAUJLVFQEPS-NEPJUHHUSA-N 2 2 277.372 0.697 20 0 CCADLP CCc1noc(C[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)n1 ZINC000107371336 349736946 /nfs/dbraw/zinc/73/69/46/349736946.db2.gz BGXYDDSBAFWEAS-ZDUSSCGKSA-N 2 2 293.415 0.844 20 0 CCADLP CCc1noc(C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)n1 ZINC000107371336 349736951 /nfs/dbraw/zinc/73/69/51/349736951.db2.gz BGXYDDSBAFWEAS-ZDUSSCGKSA-N 2 2 293.415 0.844 20 0 CCADLP CN(Cc1cccs1)C(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107575528 349738806 /nfs/dbraw/zinc/73/88/06/349738806.db2.gz JBRSNAXIXIYOOW-RYUDHWBXSA-N 2 2 279.409 0.858 20 0 CCADLP O=c1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)nc2ccccn12 ZINC000107855690 349741704 /nfs/dbraw/zinc/74/17/04/349741704.db2.gz BQIUXTDANCZJHM-RYUDHWBXSA-N 2 2 270.336 0.346 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000111622383 349774004 /nfs/dbraw/zinc/77/40/04/349774004.db2.gz SMTNFEQCTUCHRI-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000111622383 349774007 /nfs/dbraw/zinc/77/40/07/349774007.db2.gz SMTNFEQCTUCHRI-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000600949964 362096701 /nfs/dbraw/zinc/09/67/01/362096701.db2.gz ASGCTLHKNUUZBN-VXGBXAGGSA-N 2 2 250.346 0.872 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC000600949964 362096708 /nfs/dbraw/zinc/09/67/08/362096708.db2.gz ASGCTLHKNUUZBN-VXGBXAGGSA-N 2 2 250.346 0.872 20 0 CCADLP CC[C@H](C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C)[NH+](C)C ZINC000617730552 365739917 /nfs/dbraw/zinc/73/99/17/365739917.db2.gz OGZISVHVFKXZIP-FRRDWIJNSA-N 2 2 271.405 0.552 20 0 CCADLP CC[C@H](C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C)[NH+](C)C ZINC000617730552 365739921 /nfs/dbraw/zinc/73/99/21/365739921.db2.gz OGZISVHVFKXZIP-FRRDWIJNSA-N 2 2 271.405 0.552 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CCCC[NH+]2C)[C@@H](C)CO1 ZINC000617726097 365734357 /nfs/dbraw/zinc/73/43/57/365734357.db2.gz SIFTYIXIULAZKR-BFHYXJOUSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CCCC[NH+]2C)[C@@H](C)CO1 ZINC000617726097 365734359 /nfs/dbraw/zinc/73/43/59/365734359.db2.gz SIFTYIXIULAZKR-BFHYXJOUSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CCCC[N@@H+]2C)[C@@H](C)CO1 ZINC000617726097 365734361 /nfs/dbraw/zinc/73/43/61/365734361.db2.gz SIFTYIXIULAZKR-BFHYXJOUSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CCCC[N@H+]2C)[C@@H](C)CO1 ZINC000617726097 365734371 /nfs/dbraw/zinc/73/43/71/365734371.db2.gz SIFTYIXIULAZKR-BFHYXJOUSA-N 2 2 283.416 0.696 20 0 CCADLP COCCNC(=O)C[NH+]1CCN(c2cc[nH+]cc2C)CC1 ZINC000191977561 334936686 /nfs/dbraw/zinc/93/66/86/334936686.db2.gz JEXNKYVDXZEMQV-UHFFFAOYSA-N 2 2 292.383 0.275 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)CO1 ZINC000617732583 365742479 /nfs/dbraw/zinc/74/24/79/365742479.db2.gz HDNJMGIEQGFFJT-JHJVBQTASA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)CO1 ZINC000617732583 365742488 /nfs/dbraw/zinc/74/24/88/365742488.db2.gz HDNJMGIEQGFFJT-JHJVBQTASA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CCC[N@@H+]2C)[C@H](C)CO1 ZINC000617732583 365742493 /nfs/dbraw/zinc/74/24/93/365742493.db2.gz HDNJMGIEQGFFJT-JHJVBQTASA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CCC[N@H+]2C)[C@H](C)CO1 ZINC000617732583 365742498 /nfs/dbraw/zinc/74/24/98/365742498.db2.gz HDNJMGIEQGFFJT-JHJVBQTASA-N 2 2 269.389 0.306 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+](CCOCCO)CC2)c1 ZINC000132938056 136389823 /nfs/dbraw/zinc/38/98/23/136389823.db2.gz PHKJGQBTNPXULI-UHFFFAOYSA-N 2 2 281.356 0.221 20 0 CCADLP CO[C@H]1CC[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000617763334 365765803 /nfs/dbraw/zinc/76/58/03/365765803.db2.gz NQQYGDRFLIXAQW-KGLIPLIRSA-N 2 2 285.432 0.801 20 0 CCADLP CO[C@H]1CC[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000617763334 365765810 /nfs/dbraw/zinc/76/58/10/365765810.db2.gz NQQYGDRFLIXAQW-KGLIPLIRSA-N 2 2 285.432 0.801 20 0 CCADLP CO[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)C1CC1 ZINC000617763895 365766413 /nfs/dbraw/zinc/76/64/13/365766413.db2.gz AMAPUROYDIFGDT-CYBMUJFWSA-N 2 2 271.405 0.411 20 0 CCADLP CO[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1CC1 ZINC000617763895 365766424 /nfs/dbraw/zinc/76/64/24/365766424.db2.gz AMAPUROYDIFGDT-CYBMUJFWSA-N 2 2 271.405 0.411 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)CCO1 ZINC000617765159 365769135 /nfs/dbraw/zinc/76/91/35/365769135.db2.gz VWUAMUCYKNBMRR-KGLIPLIRSA-N 2 2 285.432 0.801 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCO1 ZINC000617765159 365769138 /nfs/dbraw/zinc/76/91/38/365769138.db2.gz VWUAMUCYKNBMRR-KGLIPLIRSA-N 2 2 285.432 0.801 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCCCO1 ZINC000617765703 365770773 /nfs/dbraw/zinc/77/07/73/365770773.db2.gz MRNBUEWNTWQNOS-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCCCO1 ZINC000617765703 365770779 /nfs/dbraw/zinc/77/07/79/365770779.db2.gz MRNBUEWNTWQNOS-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP CCO[C@@H]1C[C@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767470 365774051 /nfs/dbraw/zinc/77/40/51/365774051.db2.gz XDTDUAXJOWINLE-CHWSQXEVSA-N 2 2 271.405 0.411 20 0 CCADLP CCO[C@@H]1C[C@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767470 365774053 /nfs/dbraw/zinc/77/40/53/365774053.db2.gz XDTDUAXJOWINLE-CHWSQXEVSA-N 2 2 271.405 0.411 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000423691148 529798609 /nfs/dbraw/zinc/79/86/09/529798609.db2.gz PGLZHHJHMYKCKV-AWEZNQCLSA-N 2 2 280.347 0.921 20 0 CCADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358170253 529800490 /nfs/dbraw/zinc/80/04/90/529800490.db2.gz QIDRESOZCVSSLQ-CQSZACIVSA-N 3 2 264.373 0.304 20 0 CCADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358170253 529800491 /nfs/dbraw/zinc/80/04/91/529800491.db2.gz QIDRESOZCVSSLQ-CQSZACIVSA-N 3 2 264.373 0.304 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)n1C ZINC000425377741 529809500 /nfs/dbraw/zinc/80/95/00/529809500.db2.gz HXILEOOBGCRPDH-NEPJUHHUSA-N 2 2 282.388 0.221 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCC2CC(O)C2)n1C ZINC000425336115 529809544 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ZINC000418281298 529967693 /nfs/dbraw/zinc/96/76/93/529967693.db2.gz UOZPHXCTSHTECQ-UHFFFAOYSA-N 2 2 291.399 0.518 20 0 CCADLP CC(C)[NH2+]C1CC[NH+](C[C@H](O)CN2CCCC2=O)CC1 ZINC000118950149 349910942 /nfs/dbraw/zinc/91/09/42/349910942.db2.gz OGOFHRVZQMWRCJ-AWEZNQCLSA-N 2 2 283.416 0.432 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000418217008 529996710 /nfs/dbraw/zinc/99/67/10/529996710.db2.gz OXASTQGRJSSTMG-AAEUAGOBSA-N 2 2 284.404 0.004 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000418217008 529996712 /nfs/dbraw/zinc/99/67/12/529996712.db2.gz OXASTQGRJSSTMG-AAEUAGOBSA-N 2 2 284.404 0.004 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000417926496 529997760 /nfs/dbraw/zinc/99/77/60/529997760.db2.gz ORZKWSIRRIGFOI-STQMWFEESA-N 2 2 291.399 0.815 20 0 CCADLP COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000602018957 362459600 /nfs/dbraw/zinc/45/96/00/362459600.db2.gz COZAZNOGUXJZHD-RHYQMDGZSA-N 2 2 285.388 0.173 20 0 CCADLP C[NH2+][C@@H](C)CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000423626200 530040803 /nfs/dbraw/zinc/04/08/03/530040803.db2.gz GVPYBLODQMBQNU-WCQYABFASA-N 2 2 269.389 0.211 20 0 CCADLP C[NH2+][C@@H](C)CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000423626200 530040805 /nfs/dbraw/zinc/04/08/05/530040805.db2.gz GVPYBLODQMBQNU-WCQYABFASA-N 2 2 269.389 0.211 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000342607248 232033723 /nfs/dbraw/zinc/03/37/23/232033723.db2.gz PTLIDNVCUUGRQE-JQWIXIFHSA-N 2 2 250.346 0.777 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000342607248 232033726 /nfs/dbraw/zinc/03/37/26/232033726.db2.gz PTLIDNVCUUGRQE-JQWIXIFHSA-N 2 2 250.346 0.777 20 0 CCADLP Cc1nc2[nH]ccc2c(NC[C@@]2(O)CC[N@@H+](C)C2)[nH+]1 ZINC000358333054 232082002 /nfs/dbraw/zinc/08/20/02/232082002.db2.gz FMZVVJVSMWXECH-ZDUSSCGKSA-N 2 2 261.329 0.167 20 0 CCADLP Cc1nc2[nH]ccc2c(NC[C@@]2(O)CC[N@H+](C)C2)[nH+]1 ZINC000358333054 232082004 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20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244520 412521091 /nfs/dbraw/zinc/52/10/91/412521091.db2.gz QHIZNQWWZTYRIM-IGQOVBAYSA-N 2 2 283.416 0.695 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244520 412521096 /nfs/dbraw/zinc/52/10/96/412521096.db2.gz QHIZNQWWZTYRIM-IGQOVBAYSA-N 2 2 283.416 0.695 20 0 CCADLP C[C@H](O)C[NH+]1CCN(CC[N@H+]2CCOC[C@@H]2C)C[C@H]1C ZINC000249085114 290112708 /nfs/dbraw/zinc/11/27/08/290112708.db2.gz TUUOMAMOZCLPSL-ILXRZTDVSA-N 2 2 285.432 0.094 20 0 CCADLP COCC[NH2+]CC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000361738695 232215350 /nfs/dbraw/zinc/21/53/50/232215350.db2.gz ACZYMADGCJBIHY-LLVKDONJSA-N 2 2 266.345 0.352 20 0 CCADLP COC(=O)c1[nH]c(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000602495789 362645042 /nfs/dbraw/zinc/64/50/42/362645042.db2.gz WSBNAXZYXSDDQK-QWRGUYRKSA-N 2 2 263.341 0.761 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000532784216 290770349 /nfs/dbraw/zinc/77/03/49/290770349.db2.gz FNTBRFNMDIDVSY-HNNXBMFYSA-N 2 2 293.415 0.479 20 0 CCADLP c1cn(CC[N@@H+]2CCO[C@@]3(CCCOC3)C2)c[nH+]1 ZINC000367540339 232377975 /nfs/dbraw/zinc/37/79/75/232377975.db2.gz KSSLTIKGJOWTAR-ZDUSSCGKSA-N 2 2 251.330 0.765 20 0 CCADLP c1cn(CC[N@H+]2CCO[C@@]3(CCCOC3)C2)c[nH+]1 ZINC000367540339 232377979 /nfs/dbraw/zinc/37/79/79/232377979.db2.gz KSSLTIKGJOWTAR-ZDUSSCGKSA-N 2 2 251.330 0.765 20 0 CCADLP CCOC(=O)c1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)[nH]1 ZINC000602610183 362711402 /nfs/dbraw/zinc/71/14/02/362711402.db2.gz GKSZLBYJLYQSQJ-AWEZNQCLSA-N 2 2 281.356 0.348 20 0 CCADLP CCOC(=O)c1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)[nH]1 ZINC000602610183 362711404 /nfs/dbraw/zinc/71/14/04/362711404.db2.gz GKSZLBYJLYQSQJ-AWEZNQCLSA-N 2 2 281.356 0.348 20 0 CCADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)NCc1ccccc1 ZINC000261550077 137007567 /nfs/dbraw/zinc/00/75/67/137007567.db2.gz PIBGKRRUCDWKMC-LSDHHAIUSA-N 2 2 273.380 0.987 20 0 CCADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)NCc1ccccc1 ZINC000261550077 137007568 /nfs/dbraw/zinc/00/75/68/137007568.db2.gz PIBGKRRUCDWKMC-LSDHHAIUSA-N 2 2 273.380 0.987 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)no1 ZINC000261579330 137009913 /nfs/dbraw/zinc/00/99/13/137009913.db2.gz DSJJJRPYZWSLEC-GARJFASQSA-N 2 2 264.329 0.591 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)no1 ZINC000261579330 137009914 /nfs/dbraw/zinc/00/99/14/137009914.db2.gz DSJJJRPYZWSLEC-GARJFASQSA-N 2 2 264.329 0.591 20 0 CCADLP O=c1n2ccccc2nn1CC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261607382 137011764 /nfs/dbraw/zinc/01/17/64/137011764.db2.gz DFSVKRGQPUSRKQ-HNNXBMFYSA-N 2 2 287.367 0.181 20 0 CCADLP O=c1n2ccccc2nn1CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261607382 137011765 /nfs/dbraw/zinc/01/17/65/137011765.db2.gz DFSVKRGQPUSRKQ-HNNXBMFYSA-N 2 2 287.367 0.181 20 0 CCADLP C[C@H]1C[C@@H](C(=O)N(C)CC[NH+]2CCOCC2)CC[NH2+]1 ZINC000262403612 137042625 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COc1ccc(CNC(=O)C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000261775592 137019671 /nfs/dbraw/zinc/01/96/71/137019671.db2.gz SSJHBWNLQMXZTD-INIZCTEOSA-N 2 2 291.395 0.982 20 0 CCADLP [NH3+][C@@H]1CN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C[C@H]1c1ccccc1 ZINC000261804467 137020931 /nfs/dbraw/zinc/02/09/31/137020931.db2.gz RBGWDTHBYSTDII-YNEHKIRRSA-N 2 2 295.333 0.937 20 0 CCADLP Cn1cc(N2CCC[C@H]([N@@H+]3CC[C@](C)(C[NH3+])C3)C2=O)cn1 ZINC000261862363 137023042 /nfs/dbraw/zinc/02/30/42/137023042.db2.gz SHXFSHQSSNPGBO-DZGCQCFKSA-N 2 2 291.399 0.586 20 0 CCADLP Cn1cc(N2CCC[C@H]([N@H+]3CC[C@](C)(C[NH3+])C3)C2=O)cn1 ZINC000261862363 137023043 /nfs/dbraw/zinc/02/30/43/137023043.db2.gz SHXFSHQSSNPGBO-DZGCQCFKSA-N 2 2 291.399 0.586 20 0 CCADLP CCn1cnnc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261857299 137023113 /nfs/dbraw/zinc/02/31/13/137023113.db2.gz BVNYNZDJRXGRCZ-YNEHKIRRSA-N 2 2 279.388 0.545 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000618190981 365922995 /nfs/dbraw/zinc/92/29/95/365922995.db2.gz OAOSWHSGEHEXIW-HNNXBMFYSA-N 2 2 295.427 0.650 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000618190981 365922996 /nfs/dbraw/zinc/92/29/96/365922996.db2.gz OAOSWHSGEHEXIW-HNNXBMFYSA-N 2 2 295.427 0.650 20 0 CCADLP O=C(CC[C@@H]1CC[NH2+]C1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000261908473 137025342 /nfs/dbraw/zinc/02/53/42/137025342.db2.gz WDGOKRMBXFLDJI-CYBMUJFWSA-N 2 2 291.399 0.444 20 0 CCADLP C[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000261918546 137026042 /nfs/dbraw/zinc/02/60/42/137026042.db2.gz KEZIMLGQBVRXMX-FRRDWIJNSA-N 2 2 251.374 0.539 20 0 CCADLP C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000261918546 137026043 /nfs/dbraw/zinc/02/60/43/137026043.db2.gz KEZIMLGQBVRXMX-FRRDWIJNSA-N 2 2 251.374 0.539 20 0 CCADLP C[C@]1(C[N@H+](CC(N)=O)Cc2ccccc2)CC[NH2+]C1 ZINC000261936366 137026659 /nfs/dbraw/zinc/02/66/59/137026659.db2.gz DGRLSIGGUBYFSA-HNNXBMFYSA-N 2 2 261.369 0.974 20 0 CCADLP C[C@]1(C[N@@H+](CC(N)=O)Cc2ccccc2)CC[NH2+]C1 ZINC000261936366 137026660 /nfs/dbraw/zinc/02/66/60/137026660.db2.gz DGRLSIGGUBYFSA-HNNXBMFYSA-N 2 2 261.369 0.974 20 0 CCADLP CC(C)([NH3+])CNc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000261976875 137026779 /nfs/dbraw/zinc/02/67/79/137026779.db2.gz GHIOJLRGIIPTGX-JTQLQIEISA-N 2 2 265.361 0.587 20 0 CCADLP COCc1cnc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)s1 ZINC000262160141 137028878 /nfs/dbraw/zinc/02/88/78/137028878.db2.gz SKBFSGYKVZOVFM-GFCCVEGCSA-N 2 2 296.440 0.769 20 0 CCADLP COCc1cnc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)s1 ZINC000262160141 137028879 /nfs/dbraw/zinc/02/88/79/137028879.db2.gz SKBFSGYKVZOVFM-GFCCVEGCSA-N 2 2 296.440 0.769 20 0 CCADLP COC[C@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000262194103 137030275 /nfs/dbraw/zinc/03/02/75/137030275.db2.gz CMYFGOXQGHCSCB-ZDUSSCGKSA-N 2 2 292.383 0.662 20 0 CCADLP CNC(=O)CC[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000271219064 137069381 /nfs/dbraw/zinc/06/93/81/137069381.db2.gz JRHKJHMBXSDMJF-VXGBXAGGSA-N 2 2 250.346 0.902 20 0 CCADLP CNC(=O)CC[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000271219064 137069382 /nfs/dbraw/zinc/06/93/82/137069382.db2.gz JRHKJHMBXSDMJF-VXGBXAGGSA-N 2 2 250.346 0.902 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)C1 ZINC000343457216 137136763 /nfs/dbraw/zinc/13/67/63/137136763.db2.gz WDVGMKNLYNKFIG-ARFHVFGLSA-N 3 2 282.476 0.942 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)C1 ZINC000343457216 137136764 /nfs/dbraw/zinc/13/67/64/137136764.db2.gz WDVGMKNLYNKFIG-ARFHVFGLSA-N 3 2 282.476 0.942 20 0 CCADLP CNS(=O)(=O)c1cccc(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000343641798 137147144 /nfs/dbraw/zinc/14/71/44/137147144.db2.gz OTEIBUGQTJASSU-RISCZKNCSA-N 2 2 297.424 0.634 20 0 CCADLP CNS(=O)(=O)c1cccc(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000343641798 137147145 /nfs/dbraw/zinc/14/71/45/137147145.db2.gz OTEIBUGQTJASSU-RISCZKNCSA-N 2 2 297.424 0.634 20 0 CCADLP Cc1ncc(C[NH2+]C2CC[NH+](CC(=O)N(C)C)CC2)cn1 ZINC000344158427 137180836 /nfs/dbraw/zinc/18/08/36/137180836.db2.gz VPDRZICYXDKDBN-UHFFFAOYSA-N 2 2 291.399 0.427 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000343796149 137157869 /nfs/dbraw/zinc/15/78/69/137157869.db2.gz JTFSIYOMGPBUPQ-LBPRGKRZSA-N 2 2 250.346 0.731 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)NC2CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343891185 137164166 /nfs/dbraw/zinc/16/41/66/137164166.db2.gz XCHMBLRCSVRKDJ-ZFWWWQNUSA-N 2 2 294.443 0.223 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)NC2CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343891185 137164167 /nfs/dbraw/zinc/16/41/67/137164167.db2.gz XCHMBLRCSVRKDJ-ZFWWWQNUSA-N 2 2 294.443 0.223 20 0 CCADLP CCC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCSCC2)CC1 ZINC000343314457 137127309 /nfs/dbraw/zinc/12/73/09/137127309.db2.gz BDLAYQNKXUKQCM-CYBMUJFWSA-N 2 2 285.457 0.978 20 0 CCADLP Cc1ccc(NCCCNC(=O)[C@@H]2[NH2+]CCO[C@H]2C)[nH+]c1 ZINC000344453881 137195048 /nfs/dbraw/zinc/19/50/48/137195048.db2.gz ZZMZVODHNKAIGL-GXTWGEPZSA-N 2 2 292.383 0.107 20 0 CCADLP CNC(=O)C[C@H](C)[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000344477833 137196606 /nfs/dbraw/zinc/19/66/06/137196606.db2.gz PONKIIRLNBQHGZ-RWMBFGLXSA-N 2 2 271.405 0.600 20 0 CCADLP CNC(=O)C[C@H](C)[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000344477833 137196607 /nfs/dbraw/zinc/19/66/07/137196607.db2.gz PONKIIRLNBQHGZ-RWMBFGLXSA-N 2 2 271.405 0.600 20 0 CCADLP [NH3+]C1CC[NH+](CC(=O)NC(=O)NC2CCCCC2)CC1 ZINC000036754151 348170399 /nfs/dbraw/zinc/17/03/99/348170399.db2.gz PVBXBMQVIBTXEP-UHFFFAOYSA-N 2 2 282.388 0.568 20 0 CCADLP Cc1nc(N2CCC[N@@H+]([C@H](C)CO)CC2)nc(N(C)C)[nH+]1 ZINC000345045780 137230489 /nfs/dbraw/zinc/23/04/89/137230489.db2.gz YBXDUFVDZMKLIZ-LLVKDONJSA-N 2 2 294.403 0.139 20 0 CCADLP Cc1nc(N2CCC[N@H+]([C@H](C)CO)CC2)nc(N(C)C)[nH+]1 ZINC000345045780 137230490 /nfs/dbraw/zinc/23/04/90/137230490.db2.gz YBXDUFVDZMKLIZ-LLVKDONJSA-N 2 2 294.403 0.139 20 0 CCADLP CC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000040856523 348245111 /nfs/dbraw/zinc/24/51/11/348245111.db2.gz KODNSCJWLFLSMY-GFCCVEGCSA-N 2 2 278.356 0.272 20 0 CCADLP CCOC(=O)CCC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602877465 362857678 /nfs/dbraw/zinc/85/76/78/362857678.db2.gz OXGCLYXPUNCBSV-CQSZACIVSA-N 2 2 272.389 0.718 20 0 CCADLP CCOC(=O)CCC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602877465 362857682 /nfs/dbraw/zinc/85/76/82/362857682.db2.gz OXGCLYXPUNCBSV-CQSZACIVSA-N 2 2 272.389 0.718 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H]([NH3+])CC(F)F)[NH+]1CCOCC1 ZINC000345721775 137248673 /nfs/dbraw/zinc/24/86/73/137248673.db2.gz VWJISNFDXMKSEA-AEJSXWLSSA-N 2 2 279.331 0.194 20 0 CCADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000345745431 137250361 /nfs/dbraw/zinc/25/03/61/137250361.db2.gz VCAWKDHPURCOOI-GHMZBOCLSA-N 2 2 291.342 0.211 20 0 CCADLP CCOC(=O)CC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602893901 362870155 /nfs/dbraw/zinc/87/01/55/362870155.db2.gz XAZOOBJJCWJCEW-CYBMUJFWSA-N 2 2 258.362 0.328 20 0 CCADLP CCOC(=O)CC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602893901 362870160 /nfs/dbraw/zinc/87/01/60/362870160.db2.gz XAZOOBJJCWJCEW-CYBMUJFWSA-N 2 2 258.362 0.328 20 0 CCADLP COC(=O)[C@@H](O)C1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000346321406 137278912 /nfs/dbraw/zinc/27/89/12/137278912.db2.gz HODUVBTUCRUDFD-ZDUSSCGKSA-N 2 2 281.356 0.437 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@@H]1CC(N)=O ZINC000346327252 137279532 /nfs/dbraw/zinc/27/95/32/137279532.db2.gz NUYHLFXZNMBEKJ-GFCCVEGCSA-N 2 2 250.346 0.921 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@@H]1CC(N)=O ZINC000346327252 137279533 /nfs/dbraw/zinc/27/95/33/137279533.db2.gz NUYHLFXZNMBEKJ-GFCCVEGCSA-N 2 2 250.346 0.921 20 0 CCADLP CC(C)C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000346536544 137291841 /nfs/dbraw/zinc/29/18/41/137291841.db2.gz JBNURQRNWVBXQG-LSDHHAIUSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+]1CCOCC1 ZINC000346536544 137291842 /nfs/dbraw/zinc/29/18/42/137291842.db2.gz JBNURQRNWVBXQG-LSDHHAIUSA-N 2 2 297.443 0.944 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]Cc1cnc2n[nH]c(C)c2c1 ZINC000346226844 137273699 /nfs/dbraw/zinc/27/36/99/137273699.db2.gz XESQHLQCVSJNDL-UHFFFAOYSA-N 2 2 277.372 0.670 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]Cc1cnc2n[nH]c(C)c2c1 ZINC000346226844 137273700 /nfs/dbraw/zinc/27/37/00/137273700.db2.gz XESQHLQCVSJNDL-UHFFFAOYSA-N 2 2 277.372 0.670 20 0 CCADLP CC(=O)NC[C@H]1C[N@H+](CCn2cc[nH+]c2C)CCO1 ZINC000346269087 137276055 /nfs/dbraw/zinc/27/60/55/137276055.db2.gz BOWJEIRBCJAXKN-ZDUSSCGKSA-N 2 2 266.345 0.028 20 0 CCADLP CC(=O)NC[C@H]1C[N@@H+](CCn2cc[nH+]c2C)CCO1 ZINC000346269087 137276056 /nfs/dbraw/zinc/27/60/56/137276056.db2.gz BOWJEIRBCJAXKN-ZDUSSCGKSA-N 2 2 266.345 0.028 20 0 CCADLP Cc1[nH]ncc1C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000347017896 137315890 /nfs/dbraw/zinc/31/58/90/137315890.db2.gz KVGXBTXEXHTFOB-LLVKDONJSA-N 2 2 265.361 0.005 20 0 CCADLP Cc1[nH]ncc1C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000347017896 137315891 /nfs/dbraw/zinc/31/58/91/137315891.db2.gz KVGXBTXEXHTFOB-LLVKDONJSA-N 2 2 265.361 0.005 20 0 CCADLP Cc1ncc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c(=O)[nH]1 ZINC000346807799 137305631 /nfs/dbraw/zinc/30/56/31/137305631.db2.gz MJEJBOHZSBWVPY-CABZTGNLSA-N 2 2 250.346 0.920 20 0 CCADLP Cc1ncc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c(=O)[nH]1 ZINC000346807799 137305632 /nfs/dbraw/zinc/30/56/32/137305632.db2.gz MJEJBOHZSBWVPY-CABZTGNLSA-N 2 2 250.346 0.920 20 0 CCADLP CC(C)([NH3+])C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000346851330 137308472 /nfs/dbraw/zinc/30/84/72/137308472.db2.gz IUHMHOASMUNEPI-UHFFFAOYSA-N 3 2 255.406 0.768 20 0 CCADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(CC(C)(C)[NH3+])CC1 ZINC000346854517 137308555 /nfs/dbraw/zinc/30/85/55/137308555.db2.gz NBBSWPNNZZOHQJ-CQSZACIVSA-N 2 2 296.459 0.742 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(CC(C)(C)[NH3+])CC1 ZINC000346851298 137308661 /nfs/dbraw/zinc/30/86/61/137308661.db2.gz VRXJKZUFVZPFOO-NSHDSACASA-N 2 2 268.405 0.008 20 0 CCADLP NC(=O)COc1cccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000128906007 187398055 /nfs/dbraw/zinc/39/80/55/187398055.db2.gz BNTHYWPYQHGYKV-ZDUSSCGKSA-N 2 2 289.379 0.877 20 0 CCADLP NC(=O)COc1cccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000128906007 187398057 /nfs/dbraw/zinc/39/80/57/187398057.db2.gz BNTHYWPYQHGYKV-ZDUSSCGKSA-N 2 2 289.379 0.877 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000349096040 137386706 /nfs/dbraw/zinc/38/67/06/137386706.db2.gz DUZNKQSBSSGKBX-ZDUSSCGKSA-N 2 2 271.405 0.363 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000349358980 137392652 /nfs/dbraw/zinc/39/26/52/137392652.db2.gz XZJDIFUXPKZQAW-HRCADAONSA-N 3 2 282.476 0.942 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000349358980 137392653 /nfs/dbraw/zinc/39/26/53/137392653.db2.gz XZJDIFUXPKZQAW-HRCADAONSA-N 3 2 282.476 0.942 20 0 CCADLP CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000349380740 137392824 /nfs/dbraw/zinc/39/28/24/137392824.db2.gz GRWRAURIBWSVPJ-DZGCQCFKSA-N 2 2 288.395 0.998 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000347719086 137352265 /nfs/dbraw/zinc/35/22/65/137352265.db2.gz BKLJTEWQOIULOW-ZDUSSCGKSA-N 2 2 269.389 0.119 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)CC1 ZINC000347802686 137358218 /nfs/dbraw/zinc/35/82/18/137358218.db2.gz XGZOBVSEBFYKJH-ZIAGYGMSSA-N 2 2 297.443 0.489 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)CC1 ZINC000347802686 137358219 /nfs/dbraw/zinc/35/82/19/137358219.db2.gz XGZOBVSEBFYKJH-ZIAGYGMSSA-N 2 2 297.443 0.489 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)[C@@H]2CCC[C@H]21 ZINC000423492005 290219871 /nfs/dbraw/zinc/21/98/71/290219871.db2.gz LCZSMTSUWULDRG-ZQDZILKHSA-N 3 2 267.417 0.827 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)[C@@H]2CCC[C@H]21 ZINC000423492005 290219874 /nfs/dbraw/zinc/21/98/74/290219874.db2.gz LCZSMTSUWULDRG-ZQDZILKHSA-N 3 2 267.417 0.827 20 0 CCADLP O=C1CCC(=O)N1CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063190097 348682302 /nfs/dbraw/zinc/68/23/02/348682302.db2.gz FEHAPUHLRUWBQQ-QWHCGFSZSA-N 2 2 279.384 0.742 20 0 CCADLP O=C1CCC(=O)N1CC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063190097 348682303 /nfs/dbraw/zinc/68/23/03/348682303.db2.gz FEHAPUHLRUWBQQ-QWHCGFSZSA-N 2 2 279.384 0.742 20 0 CCADLP CN(C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)C1CC1 ZINC000069805311 348862691 /nfs/dbraw/zinc/86/26/91/348862691.db2.gz VFXIFHUJDVWVFO-CQSZACIVSA-N 2 2 295.427 0.651 20 0 CCADLP CN(C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)C1CC1 ZINC000069805311 348862693 /nfs/dbraw/zinc/86/26/93/348862693.db2.gz VFXIFHUJDVWVFO-CQSZACIVSA-N 2 2 295.427 0.651 20 0 CCADLP CC(C)(CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000070577367 348893559 /nfs/dbraw/zinc/89/35/59/348893559.db2.gz VOGFUITYCSIZOJ-QWHCGFSZSA-N 2 2 283.416 0.731 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070149526 348873004 /nfs/dbraw/zinc/87/30/04/348873004.db2.gz KHQFOSXONVJHER-GFCCVEGCSA-N 2 2 284.404 0.816 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070149526 348873006 /nfs/dbraw/zinc/87/30/06/348873006.db2.gz KHQFOSXONVJHER-GFCCVEGCSA-N 2 2 284.404 0.816 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)n1C ZINC000070143959 348873411 /nfs/dbraw/zinc/87/34/11/348873411.db2.gz HIVDRQNHLVXWQX-LBPRGKRZSA-N 3 2 265.405 0.918 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)n1C ZINC000070143959 348873415 /nfs/dbraw/zinc/87/34/15/348873415.db2.gz HIVDRQNHLVXWQX-LBPRGKRZSA-N 3 2 265.405 0.918 20 0 CCADLP CC[N@H+](C)C[C@H]1CC[NH+](CCCS(C)(=O)=O)C1 ZINC000072858538 348935539 /nfs/dbraw/zinc/93/55/39/348935539.db2.gz TZQBQLXEGSKITM-GFCCVEGCSA-N 2 2 262.419 0.695 20 0 CCADLP CC[N@@H+](C)C[C@H]1CC[NH+](CCCS(C)(=O)=O)C1 ZINC000072858538 348935542 /nfs/dbraw/zinc/93/55/42/348935542.db2.gz TZQBQLXEGSKITM-GFCCVEGCSA-N 2 2 262.419 0.695 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@H+](CCCS(C)(=O)=O)C1 ZINC000072858538 348935545 /nfs/dbraw/zinc/93/55/45/348935545.db2.gz TZQBQLXEGSKITM-GFCCVEGCSA-N 2 2 262.419 0.695 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@@H+](CCCS(C)(=O)=O)C1 ZINC000072858538 348935546 /nfs/dbraw/zinc/93/55/46/348935546.db2.gz TZQBQLXEGSKITM-GFCCVEGCSA-N 2 2 262.419 0.695 20 0 CCADLP CC(C)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000070981366 348900925 /nfs/dbraw/zinc/90/09/25/348900925.db2.gz WBTUNKCJUFWVOI-AWEZNQCLSA-N 2 2 255.406 0.781 20 0 CCADLP CC(C)C[C@@H](CNC(=O)[C@@]1(C)CCC[NH2+]1)[NH+]1CCOCC1 ZINC000079519587 349182184 /nfs/dbraw/zinc/18/21/84/349182184.db2.gz SVJFHFVCWLPJJX-GOEBONIOSA-N 2 2 297.443 0.992 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000081248024 349252312 /nfs/dbraw/zinc/25/23/12/349252312.db2.gz PBBNVYOQIKRUJF-CYBMUJFWSA-N 2 2 292.383 0.209 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000081248024 349252316 /nfs/dbraw/zinc/25/23/16/349252316.db2.gz PBBNVYOQIKRUJF-CYBMUJFWSA-N 2 2 292.383 0.209 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000081396777 349261755 /nfs/dbraw/zinc/26/17/55/349261755.db2.gz IUGDADVQNWPPGG-LBPRGKRZSA-N 2 2 266.345 0.110 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000081396777 349261759 /nfs/dbraw/zinc/26/17/59/349261759.db2.gz IUGDADVQNWPPGG-LBPRGKRZSA-N 2 2 266.345 0.110 20 0 CCADLP CN(C)c1nc(NC[C@H]2C[N@H+](C)CCO2)cc[nH+]1 ZINC000086485462 349340602 /nfs/dbraw/zinc/34/06/02/349340602.db2.gz YPSYUTJBMCWXRQ-JTQLQIEISA-N 2 2 251.334 0.285 20 0 CCADLP CN(C)c1nc(NC[C@H]2C[N@@H+](C)CCO2)cc[nH+]1 ZINC000086485462 349340606 /nfs/dbraw/zinc/34/06/06/349340606.db2.gz YPSYUTJBMCWXRQ-JTQLQIEISA-N 2 2 251.334 0.285 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC000684483095 545682107 /nfs/dbraw/zinc/68/21/07/545682107.db2.gz YBAGKOBMDLGNIR-KGLIPLIRSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)CCCn2cc[nH+]c2)[C@H](C)C1 ZINC000684483095 545682113 /nfs/dbraw/zinc/68/21/13/545682113.db2.gz YBAGKOBMDLGNIR-KGLIPLIRSA-N 2 2 294.399 0.577 20 0 CCADLP CN(CC[NH+]1CCCCC1)C[C@@H](O)C[NH+]1CCOCC1 ZINC000083250208 349303925 /nfs/dbraw/zinc/30/39/25/349303925.db2.gz DBXWLKAQUOWNQF-OAHLLOKOSA-N 2 2 285.432 0.097 20 0 CCADLP CCn1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cn1 ZINC000083421859 349305351 /nfs/dbraw/zinc/30/53/51/349305351.db2.gz CDQPVEWITWRVOS-KGLIPLIRSA-N 2 2 264.373 0.856 20 0 CCADLP CCn1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cn1 ZINC000083421859 349305352 /nfs/dbraw/zinc/30/53/52/349305352.db2.gz CDQPVEWITWRVOS-KGLIPLIRSA-N 2 2 264.373 0.856 20 0 CCADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000090182880 349428813 /nfs/dbraw/zinc/42/88/13/349428813.db2.gz AQQOHKGEXOJWIR-RYUDHWBXSA-N 2 2 274.430 0.741 20 0 CCADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000090182880 349428814 /nfs/dbraw/zinc/42/88/14/349428814.db2.gz AQQOHKGEXOJWIR-RYUDHWBXSA-N 2 2 274.430 0.741 20 0 CCADLP C[N@@H+]1CCN(C(=O)COc2ccccc2)[C@H](C[NH3+])C1 ZINC000122555961 350065503 /nfs/dbraw/zinc/06/55/03/350065503.db2.gz XNBOJDOYPUZDQF-GFCCVEGCSA-N 2 2 263.341 0.167 20 0 CCADLP C[N@H+]1CCN(C(=O)COc2ccccc2)[C@H](C[NH3+])C1 ZINC000122555961 350065507 /nfs/dbraw/zinc/06/55/07/350065507.db2.gz XNBOJDOYPUZDQF-GFCCVEGCSA-N 2 2 263.341 0.167 20 0 CCADLP CC[C@H]1C[N@H+](CC(=O)NC(=O)NC2CCCC2)CC[C@@H]1[NH3+] ZINC000122712444 350069218 /nfs/dbraw/zinc/06/92/18/350069218.db2.gz OWFQNRCVLYOBKM-AAEUAGOBSA-N 2 2 296.415 0.814 20 0 CCADLP CC[C@H]1C[N@@H+](CC(=O)NC(=O)NC2CCCC2)CC[C@@H]1[NH3+] ZINC000122712444 350069220 /nfs/dbraw/zinc/06/92/20/350069220.db2.gz OWFQNRCVLYOBKM-AAEUAGOBSA-N 2 2 296.415 0.814 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000124636030 350103420 /nfs/dbraw/zinc/10/34/20/350103420.db2.gz HJUKWEOQPYEDCR-VHSXEESVSA-N 2 2 256.350 0.034 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000124636030 350103422 /nfs/dbraw/zinc/10/34/22/350103422.db2.gz HJUKWEOQPYEDCR-VHSXEESVSA-N 2 2 256.350 0.034 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCOc3ccccc32)[C@H](C[NH3+])C1 ZINC000124330659 350095572 /nfs/dbraw/zinc/09/55/72/350095572.db2.gz HOVHAJLBNIAKIJ-TZMCWYRMSA-N 2 2 289.379 0.654 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2CCOc3ccccc32)[C@H](C[NH3+])C1 ZINC000124330659 350095575 /nfs/dbraw/zinc/09/55/75/350095575.db2.gz HOVHAJLBNIAKIJ-TZMCWYRMSA-N 2 2 289.379 0.654 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCC[NH+]2CCC[C@H](C(N)=O)C2)CC[N@@H+]1C ZINC000127953709 350181732 /nfs/dbraw/zinc/18/17/32/350181732.db2.gz XVFHWFZEZWUHCV-SOUVJXGZSA-N 3 2 296.459 0.646 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCC[NH+]2CCC[C@H](C(N)=O)C2)CC[N@H+]1C ZINC000127953709 350181733 /nfs/dbraw/zinc/18/17/33/350181733.db2.gz XVFHWFZEZWUHCV-SOUVJXGZSA-N 3 2 296.459 0.646 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC[NH+]1C ZINC000127953709 350181734 /nfs/dbraw/zinc/18/17/34/350181734.db2.gz XVFHWFZEZWUHCV-SOUVJXGZSA-N 3 2 296.459 0.646 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)CC[NH+]1C ZINC000127953709 350181735 /nfs/dbraw/zinc/18/17/35/350181735.db2.gz XVFHWFZEZWUHCV-SOUVJXGZSA-N 3 2 296.459 0.646 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)n1C ZINC000128076334 350184816 /nfs/dbraw/zinc/18/48/16/350184816.db2.gz VOHLMNPBKSEKEL-MNOVXSKESA-N 2 2 252.362 0.735 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000129516124 350216449 /nfs/dbraw/zinc/21/64/49/350216449.db2.gz NKMBKPPCHMJFFE-ZIAGYGMSSA-N 2 2 298.431 0.300 20 0 CCADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)NCCOc1ccccc1 ZINC000129088519 350205778 /nfs/dbraw/zinc/20/57/78/350205778.db2.gz SURNVNVNPNTXGV-UONOGXRCSA-N 2 2 291.395 0.993 20 0 CCADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)NCCOc1ccccc1 ZINC000129088519 350205781 /nfs/dbraw/zinc/20/57/81/350205781.db2.gz SURNVNVNPNTXGV-UONOGXRCSA-N 2 2 291.395 0.993 20 0 CCADLP C[C@H](O)[C@@H]1CCN(c2cc(N(C)CC[NH+](C)C)nc[nH+]2)C1 ZINC000413190330 233372863 /nfs/dbraw/zinc/37/28/63/233372863.db2.gz ZYMPEFNZRMVQRJ-QWHCGFSZSA-N 2 2 293.415 0.682 20 0 CCADLP CC[C@@H](C)[NH+]1CCN(c2nc[nH+]c(N)c2OC)CC1 ZINC000134880162 350378871 /nfs/dbraw/zinc/37/88/71/350378871.db2.gz VOMFSLKQKPTDCD-SNVBAGLBSA-N 2 2 265.361 0.988 20 0 CCADLP COc1c(N)[nH+]cnc1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000134928009 350380152 /nfs/dbraw/zinc/38/01/52/350380152.db2.gz NVFQFJAGWPPXTC-DTWKUNHWSA-N 2 2 251.334 0.962 20 0 CCADLP COc1c(N)[nH+]cnc1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000134928009 350380153 /nfs/dbraw/zinc/38/01/53/350380153.db2.gz NVFQFJAGWPPXTC-DTWKUNHWSA-N 2 2 251.334 0.962 20 0 CCADLP COc1c(N)nc[nH+]c1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000134928009 350380154 /nfs/dbraw/zinc/38/01/54/350380154.db2.gz NVFQFJAGWPPXTC-DTWKUNHWSA-N 2 2 251.334 0.962 20 0 CCADLP COc1c(N)nc[nH+]c1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000134928009 350380155 /nfs/dbraw/zinc/38/01/55/350380155.db2.gz NVFQFJAGWPPXTC-DTWKUNHWSA-N 2 2 251.334 0.962 20 0 CCADLP CCC(CC)[C@H](C(=O)NC[C@@H]([NH3+])C1CC1)[NH+]1CCOCC1 ZINC000137595200 350437719 /nfs/dbraw/zinc/43/77/19/350437719.db2.gz XWVPGGLKLGVUCA-HUUCEWRRSA-N 2 2 297.443 0.977 20 0 CCADLP COCCCNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000136084999 350414262 /nfs/dbraw/zinc/41/42/62/350414262.db2.gz GIHPZRXNNWHXAK-KBPBESRZSA-N 2 2 294.399 0.919 20 0 CCADLP COCCCNC(=O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000136084999 350414264 /nfs/dbraw/zinc/41/42/64/350414264.db2.gz GIHPZRXNNWHXAK-KBPBESRZSA-N 2 2 294.399 0.919 20 0 CCADLP C[C@@]1(C(=O)NCCCn2cc[nH+]c2)CCCC[NH2+]1 ZINC000136192702 350417573 /nfs/dbraw/zinc/41/75/73/350417573.db2.gz HEZGCOSBKOLPFI-ZDUSSCGKSA-N 2 2 250.346 0.922 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)SCC[NH+](C)C)CC1 ZINC000339740522 215320323 /nfs/dbraw/zinc/32/03/23/215320323.db2.gz JTJHUBBYVGJSBU-GFCCVEGCSA-N 2 2 273.446 0.834 20 0 CCADLP CN(C(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1)C1CC1 ZINC000152493199 350530796 /nfs/dbraw/zinc/53/07/96/350530796.db2.gz ACDFOYXHLPIPIH-GFCCVEGCSA-N 2 2 253.390 0.881 20 0 CCADLP CN(C(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)C1CC1 ZINC000152493199 350530798 /nfs/dbraw/zinc/53/07/98/350530798.db2.gz ACDFOYXHLPIPIH-GFCCVEGCSA-N 2 2 253.390 0.881 20 0 CCADLP CN(C(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000152493199 350530801 /nfs/dbraw/zinc/53/08/01/350530801.db2.gz ACDFOYXHLPIPIH-GFCCVEGCSA-N 2 2 253.390 0.881 20 0 CCADLP CN(C(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000152493199 350530805 /nfs/dbraw/zinc/53/08/05/350530805.db2.gz ACDFOYXHLPIPIH-GFCCVEGCSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@@H](C(=O)NC[C@H]1CCCO1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152406781 350526866 /nfs/dbraw/zinc/52/68/66/350526866.db2.gz HUTMFVFSBQJXCJ-RRFJBIMHSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H](C(=O)NC[C@H]1CCCO1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152406781 350526870 /nfs/dbraw/zinc/52/68/70/350526870.db2.gz HUTMFVFSBQJXCJ-RRFJBIMHSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H](C(=O)NC[C@H]1CCCO1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152406781 350526874 /nfs/dbraw/zinc/52/68/74/350526874.db2.gz HUTMFVFSBQJXCJ-RRFJBIMHSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H](C(=O)NC[C@H]1CCCO1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152406781 350526877 /nfs/dbraw/zinc/52/68/77/350526877.db2.gz HUTMFVFSBQJXCJ-RRFJBIMHSA-N 2 2 297.443 0.944 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)N1CCNC1=O ZINC000154090506 350574684 /nfs/dbraw/zinc/57/46/84/350574684.db2.gz ZBXYIHDOGOBHKY-GFCCVEGCSA-N 2 2 290.323 0.087 20 0 CCADLP O=C(C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)N1CCNC1=O ZINC000154090506 350574687 /nfs/dbraw/zinc/57/46/87/350574687.db2.gz ZBXYIHDOGOBHKY-GFCCVEGCSA-N 2 2 290.323 0.087 20 0 CCADLP COCC[NH+]1CCN(c2nc(N(C)C)cc[nH+]2)CC1 ZINC000153068988 350551960 /nfs/dbraw/zinc/55/19/60/350551960.db2.gz BQSJNOPAMCVBBL-UHFFFAOYSA-N 2 2 265.361 0.311 20 0 CCADLP CCC[C@@H]1CN(C(=O)C[NH+](C)C)CC[N@@H+]1CCOC ZINC000153692641 350561149 /nfs/dbraw/zinc/56/11/49/350561149.db2.gz BROIFVMCVSNIHC-CYBMUJFWSA-N 2 2 271.405 0.507 20 0 CCADLP CCC[C@@H]1CN(C(=O)C[NH+](C)C)CC[N@H+]1CCOC ZINC000153692641 350561151 /nfs/dbraw/zinc/56/11/51/350561151.db2.gz BROIFVMCVSNIHC-CYBMUJFWSA-N 2 2 271.405 0.507 20 0 CCADLP Cc1ncc([C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)c(C)n1 ZINC000154291352 350582297 /nfs/dbraw/zinc/58/22/97/350582297.db2.gz FCNWKISRGZPQQD-JOYOIKCWSA-N 2 2 252.362 0.667 20 0 CCADLP CCCNC(=O)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000109752463 186271128 /nfs/dbraw/zinc/27/11/28/186271128.db2.gz OMFUAGBNNSLRRW-OAHLLOKOSA-N 2 2 296.459 0.615 20 0 CCADLP CCCNC(=O)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000109752463 186271129 /nfs/dbraw/zinc/27/11/29/186271129.db2.gz OMFUAGBNNSLRRW-OAHLLOKOSA-N 2 2 296.459 0.615 20 0 CCADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)N(C)Cc2[nH+]ccn2C)C1(C)C ZINC000156976148 350637958 /nfs/dbraw/zinc/63/79/58/350637958.db2.gz NWXYTVSZBKQKTJ-ABAIWWIYSA-N 2 2 294.399 0.911 20 0 CCADLP NS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000157535760 350646193 /nfs/dbraw/zinc/64/61/93/350646193.db2.gz ZBCDCYYIJUJDFR-WDEREUQCSA-N 2 2 299.396 0.643 20 0 CCADLP NS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)o1 ZINC000157535760 350646194 /nfs/dbraw/zinc/64/61/94/350646194.db2.gz ZBCDCYYIJUJDFR-WDEREUQCSA-N 2 2 299.396 0.643 20 0 CCADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)o2)CC[N@@H+]1C ZINC000157727915 350648782 /nfs/dbraw/zinc/64/87/82/350648782.db2.gz DKTAWINDRNOUMD-VHSXEESVSA-N 2 2 287.385 0.499 20 0 CCADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)o2)CC[N@H+]1C ZINC000157727915 350648784 /nfs/dbraw/zinc/64/87/84/350648784.db2.gz DKTAWINDRNOUMD-VHSXEESVSA-N 2 2 287.385 0.499 20 0 CCADLP COCC[NH2+]CC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000159148958 350670160 /nfs/dbraw/zinc/67/01/60/350670160.db2.gz GGCRAFQYJBARNH-UHFFFAOYSA-N 2 2 292.383 0.534 20 0 CCADLP CSCCCCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000162315415 350742083 /nfs/dbraw/zinc/74/20/83/350742083.db2.gz HQPGFHLPHDAHNV-LLVKDONJSA-N 2 2 259.419 0.621 20 0 CCADLP CSCCCCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000162315415 350742084 /nfs/dbraw/zinc/74/20/84/350742084.db2.gz HQPGFHLPHDAHNV-LLVKDONJSA-N 2 2 259.419 0.621 20 0 CCADLP CCN(CC)C(=O)C[N@@H+]1CCCN(Cc2[nH]cc[nH+]2)CC1 ZINC000111200086 186368882 /nfs/dbraw/zinc/36/88/82/186368882.db2.gz SXOSUTJHLPNCHA-UHFFFAOYSA-N 2 2 293.415 0.786 20 0 CCADLP CCN(CC)C(=O)C[N@H+]1CCCN(Cc2[nH]cc[nH+]2)CC1 ZINC000111200086 186368884 /nfs/dbraw/zinc/36/88/84/186368884.db2.gz SXOSUTJHLPNCHA-UHFFFAOYSA-N 2 2 293.415 0.786 20 0 CCADLP CCC[C@H]([NH3+])C(=O)N1CC[NH+](CCOCC)CC1 ZINC000164460675 350778686 /nfs/dbraw/zinc/77/86/86/350778686.db2.gz TZJAJNHDVZTFOE-LBPRGKRZSA-N 2 2 257.378 0.295 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000167328330 350808803 /nfs/dbraw/zinc/80/88/03/350808803.db2.gz PIIWHDKBBVEXMI-QWRGUYRKSA-N 2 2 257.403 0.640 20 0 CCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CSC[NH2+]1 ZINC000167328330 350808804 /nfs/dbraw/zinc/80/88/04/350808804.db2.gz PIIWHDKBBVEXMI-QWRGUYRKSA-N 2 2 257.403 0.640 20 0 CCADLP CSCC[C@H]([NH3+])C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000167686402 350813756 /nfs/dbraw/zinc/81/37/56/350813756.db2.gz DOVACTUHMMDUPM-WOPDTQHZSA-N 2 2 289.445 0.292 20 0 CCADLP COc1cccc(C[N@H+](CCO)C2CC[NH+](C)CC2)n1 ZINC000171829078 350936553 /nfs/dbraw/zinc/93/65/53/350936553.db2.gz XTOPRBYLXULRBM-UHFFFAOYSA-N 2 2 279.384 0.979 20 0 CCADLP COc1cccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)n1 ZINC000171829078 350936555 /nfs/dbraw/zinc/93/65/55/350936555.db2.gz XTOPRBYLXULRBM-UHFFFAOYSA-N 2 2 279.384 0.979 20 0 CCADLP C[C@@H](CNc1[nH+]cnc2c1cnn2C)C[NH+]1CCOCC1 ZINC000172375110 350980023 /nfs/dbraw/zinc/98/00/23/350980023.db2.gz GNRZKUFXUPSYHE-NSHDSACASA-N 2 2 290.371 0.744 20 0 CCADLP O[C@H](CN1CCOCC1)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000176913511 351188311 /nfs/dbraw/zinc/18/83/11/351188311.db2.gz CEOVWDJPQCJERJ-HNNXBMFYSA-N 2 2 294.399 0.213 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000178763065 351244674 /nfs/dbraw/zinc/24/46/74/351244674.db2.gz FXDDBYAYZUDNBA-NEPJUHHUSA-N 2 2 269.389 0.341 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000178763065 351244676 /nfs/dbraw/zinc/24/46/76/351244676.db2.gz FXDDBYAYZUDNBA-NEPJUHHUSA-N 2 2 269.389 0.341 20 0 CCADLP CCOCC[NH+]1CCN([C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000180477863 351286879 /nfs/dbraw/zinc/28/68/79/351286879.db2.gz KTWCHJXPRHJCCL-HNNXBMFYSA-N 2 2 285.432 0.361 20 0 CCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000339798675 215342055 /nfs/dbraw/zinc/34/20/55/215342055.db2.gz FBSXBBXVNLMVDC-CHWSQXEVSA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000339798675 215342056 /nfs/dbraw/zinc/34/20/56/215342056.db2.gz FBSXBBXVNLMVDC-CHWSQXEVSA-N 2 2 271.405 0.554 20 0 CCADLP C[C@@H]1C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CCO1 ZINC000179865712 351277381 /nfs/dbraw/zinc/27/73/81/351277381.db2.gz VRJPPOYMMVHKAN-CYBMUJFWSA-N 2 2 291.399 0.449 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CCO1 ZINC000179865712 351277384 /nfs/dbraw/zinc/27/73/84/351277384.db2.gz VRJPPOYMMVHKAN-CYBMUJFWSA-N 2 2 291.399 0.449 20 0 CCADLP CC[C@@]1(C(=O)NCC[N@@H+]2CCOCC2(C)C)CCC[NH2+]1 ZINC000184160780 351403815 /nfs/dbraw/zinc/40/38/15/351403815.db2.gz CLOLZOWAWGSHIR-HNNXBMFYSA-N 2 2 283.416 0.746 20 0 CCADLP CC[C@@]1(C(=O)NCC[N@H+]2CCOCC2(C)C)CCC[NH2+]1 ZINC000184160780 351403817 /nfs/dbraw/zinc/40/38/17/351403817.db2.gz CLOLZOWAWGSHIR-HNNXBMFYSA-N 2 2 283.416 0.746 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(CCCn2cc[nH+]c2)[C@@H](C)C1 ZINC000191232704 351751749 /nfs/dbraw/zinc/75/17/49/351751749.db2.gz FDGATGDBIUXUFP-UONOGXRCSA-N 2 2 266.389 0.660 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(CCCn2cc[nH+]c2)[C@@H](C)C1 ZINC000191232704 351751752 /nfs/dbraw/zinc/75/17/52/351751752.db2.gz FDGATGDBIUXUFP-UONOGXRCSA-N 2 2 266.389 0.660 20 0 CCADLP COC1CCC([NH2+]C[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000228528595 352075464 /nfs/dbraw/zinc/07/54/64/352075464.db2.gz WIZNNVRAIHYXFK-MOKVOYLWSA-N 2 2 255.406 0.779 20 0 CCADLP COC1CCC([NH2+]C[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000228528595 352075466 /nfs/dbraw/zinc/07/54/66/352075466.db2.gz WIZNNVRAIHYXFK-MOKVOYLWSA-N 2 2 255.406 0.779 20 0 CCADLP CC(C)n1cncc1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000227934760 352062771 /nfs/dbraw/zinc/06/27/71/352062771.db2.gz MNTORDVKRBZQQI-CYBMUJFWSA-N 2 2 254.378 0.866 20 0 CCADLP Cn1ncc2c1nc[nH+]c2NCCOCC[NH+](C)C ZINC000231208289 352126508 /nfs/dbraw/zinc/12/65/08/352126508.db2.gz NXSCXQGKISJSHK-UHFFFAOYSA-N 2 2 264.333 0.353 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cc(C(N)=O)cs1 ZINC000228725034 352082862 /nfs/dbraw/zinc/08/28/62/352082862.db2.gz AOWGDAXYUJJIMM-LBPRGKRZSA-N 2 2 271.386 0.249 20 0 CCADLP COCC[C@](C)(O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000230196773 352107696 /nfs/dbraw/zinc/10/76/96/352107696.db2.gz APEVTMRPNLKHOJ-ZDUSSCGKSA-N 2 2 270.377 0.363 20 0 CCADLP COC(=O)[C@@H]1CN(c2cc[nH+]cc2F)CC[N@H+](C)C1 ZINC000603399855 363112047 /nfs/dbraw/zinc/11/20/47/363112047.db2.gz HLGGBFAKBRVPQQ-JTQLQIEISA-N 2 2 267.304 0.762 20 0 CCADLP COC(=O)[C@@H]1CN(c2cc[nH+]cc2F)CC[N@@H+](C)C1 ZINC000603399855 363112052 /nfs/dbraw/zinc/11/20/52/363112052.db2.gz HLGGBFAKBRVPQQ-JTQLQIEISA-N 2 2 267.304 0.762 20 0 CCADLP [NH3+]C1CCC(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000655414939 412562505 /nfs/dbraw/zinc/56/25/05/412562505.db2.gz RVTYZZAWUYQHFQ-UNXYVOJBSA-N 2 2 262.357 0.832 20 0 CCADLP O=C(NC[C@@H]1CCC[NH2+]C1)[C@H]1CCc2[nH+]ccn2C1 ZINC000655413538 412562556 /nfs/dbraw/zinc/56/25/56/412562556.db2.gz CMIQHGAREKVINN-NEPJUHHUSA-N 2 2 262.357 0.561 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000236802508 352217006 /nfs/dbraw/zinc/21/70/06/352217006.db2.gz OTPUECWGGNXBCW-UHFFFAOYSA-N 2 2 257.378 0.293 20 0 CCADLP [NH3+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655413881 412562849 /nfs/dbraw/zinc/56/28/49/412562849.db2.gz LJYXHDHJXZTXLZ-NEPJUHHUSA-N 2 2 262.357 0.785 20 0 CCADLP CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC[NH2+]CC1 ZINC000655413303 412562962 /nfs/dbraw/zinc/56/29/62/412562962.db2.gz SZZQKRHGSPNIHK-NSHDSACASA-N 2 2 262.357 0.656 20 0 CCADLP COc1ccc([C@@H](NC(=O)CC[NH3+])c2[nH+]ccn2C)cc1 ZINC000237217026 352253475 /nfs/dbraw/zinc/25/34/75/352253475.db2.gz DBJWLDQWOWMAPO-CQSZACIVSA-N 2 2 288.351 0.983 20 0 CCADLP [NH3+]CCCC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000237895897 352287928 /nfs/dbraw/zinc/28/79/28/352287928.db2.gz GXZOBUNEAKWADJ-LBPRGKRZSA-N 2 2 255.362 0.049 20 0 CCADLP CC[N@H+](C)CCNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000246412989 352365798 /nfs/dbraw/zinc/36/57/98/352365798.db2.gz LJVSYAWYQBPDBN-OLZOCXBDSA-N 2 2 286.420 0.347 20 0 CCADLP CC[N@@H+](C)CCNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000246412989 352365800 /nfs/dbraw/zinc/36/58/00/352365800.db2.gz LJVSYAWYQBPDBN-OLZOCXBDSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246465044 352367978 /nfs/dbraw/zinc/36/79/78/352367978.db2.gz ZCGXVACMZUHEIQ-RYUDHWBXSA-N 2 2 298.431 0.883 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246465044 352367981 /nfs/dbraw/zinc/36/79/81/352367981.db2.gz ZCGXVACMZUHEIQ-RYUDHWBXSA-N 2 2 298.431 0.883 20 0 CCADLP C[C@@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000247155305 352401657 /nfs/dbraw/zinc/40/16/57/352401657.db2.gz XGIFVZNVHKGZQT-ILXRZTDVSA-N 3 2 268.449 0.695 20 0 CCADLP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)N1CC[NH+](C)CC1 ZINC000247155305 352401663 /nfs/dbraw/zinc/40/16/63/352401663.db2.gz XGIFVZNVHKGZQT-ILXRZTDVSA-N 3 2 268.449 0.695 20 0 CCADLP CSC[C@H](O)C[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000249453296 352491827 /nfs/dbraw/zinc/49/18/27/352491827.db2.gz MUKPPNASQKXRLU-GXTWGEPZSA-N 2 2 288.457 0.895 20 0 CCADLP CSC[C@H](O)C[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000249453296 352491832 /nfs/dbraw/zinc/49/18/32/352491832.db2.gz MUKPPNASQKXRLU-GXTWGEPZSA-N 2 2 288.457 0.895 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000248945141 352468255 /nfs/dbraw/zinc/46/82/55/352468255.db2.gz CDHPTTLXUIJNOG-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(CC[N@H+]2CCOC[C@H]2C)CC1 ZINC000248945141 352468259 /nfs/dbraw/zinc/46/82/59/352468259.db2.gz CDHPTTLXUIJNOG-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H]1CN(CC[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CCO1 ZINC000249014213 352472742 /nfs/dbraw/zinc/47/27/42/352472742.db2.gz JAHGPYOGHXUHDW-JKSUJKDBSA-N 2 2 297.443 0.361 20 0 CCADLP C[C@H]1CN(CC[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CCO1 ZINC000249014213 352472744 /nfs/dbraw/zinc/47/27/44/352472744.db2.gz JAHGPYOGHXUHDW-JKSUJKDBSA-N 2 2 297.443 0.361 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC[N@@H+]1C ZINC000263189815 352592387 /nfs/dbraw/zinc/59/23/87/352592387.db2.gz HSEDDQRMSNJWLA-BBBLOLIVSA-N 2 2 261.316 0.583 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC[N@H+]1C ZINC000263189815 352592391 /nfs/dbraw/zinc/59/23/91/352592391.db2.gz HSEDDQRMSNJWLA-BBBLOLIVSA-N 2 2 261.316 0.583 20 0 CCADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)C1 ZINC000261602503 352562270 /nfs/dbraw/zinc/56/22/70/352562270.db2.gz AKVFPMGNQOBAFS-OFQRWUPVSA-N 2 2 295.427 0.827 20 0 CCADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)C1 ZINC000261602503 352562273 /nfs/dbraw/zinc/56/22/73/352562273.db2.gz AKVFPMGNQOBAFS-OFQRWUPVSA-N 2 2 295.427 0.827 20 0 CCADLP COCC[N@H+](C)CCN[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000262031902 352570673 /nfs/dbraw/zinc/57/06/73/352570673.db2.gz XQDOAEQFRZKNDR-RBSFLKMASA-N 2 2 285.432 0.311 20 0 CCADLP COCC[N@@H+](C)CCN[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000262031902 352570675 /nfs/dbraw/zinc/57/06/75/352570675.db2.gz XQDOAEQFRZKNDR-RBSFLKMASA-N 2 2 285.432 0.311 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000266226053 352691734 /nfs/dbraw/zinc/69/17/34/352691734.db2.gz RUFZJDBENBVSDF-ZDUSSCGKSA-N 2 2 264.373 0.986 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418568326 234170166 /nfs/dbraw/zinc/17/01/66/234170166.db2.gz BIYVPQWULVQVPD-MGPQQGTHSA-N 2 2 298.431 0.618 20 0 CCADLP Cn1cc(CC[NH+]2CCN(c3[nH+]ccn3C)CC2)cn1 ZINC000266936476 352734190 /nfs/dbraw/zinc/73/41/90/352734190.db2.gz PWPXDHZTNWPRPD-UHFFFAOYSA-N 2 2 274.372 0.518 20 0 CCADLP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267408681 352765409 /nfs/dbraw/zinc/76/54/09/352765409.db2.gz HUDBLWYBOBTMHI-NSHDSACASA-N 2 2 294.355 0.268 20 0 CCADLP COC(=O)CCNC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267408681 352765412 /nfs/dbraw/zinc/76/54/12/352765412.db2.gz HUDBLWYBOBTMHI-NSHDSACASA-N 2 2 294.355 0.268 20 0 CCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)c1[nH+]cnc2[nH]ccc21 ZINC000267514425 352771033 /nfs/dbraw/zinc/77/10/33/352771033.db2.gz CXMMWHFFDXTLAI-LLVKDONJSA-N 2 2 291.355 0.087 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000418724920 234217187 /nfs/dbraw/zinc/21/71/87/234217187.db2.gz NOECZNJICJVZLD-NQBHXWOUSA-N 2 2 278.356 0.980 20 0 CCADLP C[NH2+]C[C@@](C)(O)CN1CC[NH+](Cc2ccccn2)CC1 ZINC000573927824 334978065 /nfs/dbraw/zinc/97/80/65/334978065.db2.gz WKNPCWYYYYINCP-OAHLLOKOSA-N 2 2 278.400 0.170 20 0 CCADLP COCC[N@H+](CCn1cc[nH+]c1C)CC(=O)OC ZINC000270668689 352965397 /nfs/dbraw/zinc/96/53/97/352965397.db2.gz QQKGOKFHFYBPQB-UHFFFAOYSA-N 2 2 255.318 0.313 20 0 CCADLP COCC[N@@H+](CCn1cc[nH+]c1C)CC(=O)OC ZINC000270668689 352965400 /nfs/dbraw/zinc/96/54/00/352965400.db2.gz QQKGOKFHFYBPQB-UHFFFAOYSA-N 2 2 255.318 0.313 20 0 CCADLP Nc1nsc(N2CC[NH+](CCn3cc[nH+]c3)CC2)n1 ZINC000270876190 352998798 /nfs/dbraw/zinc/99/87/98/352998798.db2.gz MPNSHGSMQBQKPV-UHFFFAOYSA-N 2 2 279.373 0.139 20 0 CCADLP CCC[C@H]1C(=O)NCC[N@H+]1CCn1cc[nH+]c1C ZINC000270891883 353000652 /nfs/dbraw/zinc/00/06/52/353000652.db2.gz PIBUYWXYXQRRDM-LBPRGKRZSA-N 2 2 250.346 0.792 20 0 CCADLP CCC[C@H]1C(=O)NCC[N@@H+]1CCn1cc[nH+]c1C ZINC000270891883 353000654 /nfs/dbraw/zinc/00/06/54/353000654.db2.gz PIBUYWXYXQRRDM-LBPRGKRZSA-N 2 2 250.346 0.792 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000270927812 353004263 /nfs/dbraw/zinc/00/42/63/353004263.db2.gz WIIJDCBRXDZATO-UHFFFAOYSA-N 3 2 274.372 0.747 20 0 CCADLP CS[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH+](C)C ZINC000270979362 353011027 /nfs/dbraw/zinc/01/10/27/353011027.db2.gz CTNLZRYLSSKVHX-VXGBXAGGSA-N 2 2 282.413 0.777 20 0 CCADLP C[C@@H]1CN(c2cc(NC3CC3)[nH+]cn2)[C@@H](C)C[N@@H+]1CCO ZINC000419009004 234285867 /nfs/dbraw/zinc/28/58/67/234285867.db2.gz WOTGPDIEJBLMLU-NEPJUHHUSA-N 2 2 291.399 0.942 20 0 CCADLP C[C@@H]1CN(c2cc(NC3CC3)[nH+]cn2)[C@@H](C)C[N@H+]1CCO ZINC000419009004 234285870 /nfs/dbraw/zinc/28/58/70/234285870.db2.gz WOTGPDIEJBLMLU-NEPJUHHUSA-N 2 2 291.399 0.942 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655444788 412573218 /nfs/dbraw/zinc/57/32/18/412573218.db2.gz QGJBNPMUXYKFBN-VNHYZAJKSA-N 2 2 281.400 0.213 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655449571 412574674 /nfs/dbraw/zinc/57/46/74/412574674.db2.gz JGRZMALKKIWBQL-FMKPAKJESA-N 2 2 294.443 0.128 20 0 CCADLP C[C@@H]1C[N@H+](CCCNC(=O)CCn2cc[nH+]c2)CCCO1 ZINC000277498879 353247390 /nfs/dbraw/zinc/24/73/90/353247390.db2.gz JUEWQXHLCHEIJX-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP C[C@@H]1C[N@@H+](CCCNC(=O)CCn2cc[nH+]c2)CCCO1 ZINC000277498879 353247391 /nfs/dbraw/zinc/24/73/91/353247391.db2.gz JUEWQXHLCHEIJX-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP C[C@H]([NH3+])CCC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000277553478 353250174 /nfs/dbraw/zinc/25/01/74/353250174.db2.gz ZITKDTNYMMWOOV-LBPRGKRZSA-N 2 2 295.387 0.281 20 0 CCADLP C[NH+]1CCC(Nc2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000278364780 353295290 /nfs/dbraw/zinc/29/52/90/353295290.db2.gz LXQNYDQBPVKLCY-UHFFFAOYSA-N 2 2 277.372 0.819 20 0 CCADLP C[NH+]1CCC(Nc2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000278364780 353295293 /nfs/dbraw/zinc/29/52/93/353295293.db2.gz LXQNYDQBPVKLCY-UHFFFAOYSA-N 2 2 277.372 0.819 20 0 CCADLP Cn1cc[nH+]c1N1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000278419798 353298932 /nfs/dbraw/zinc/29/89/32/353298932.db2.gz QOVFGZFXLRNYKN-NSCUHMNNSA-N 2 2 286.339 0.505 20 0 CCADLP Cc1nc(C[N@H+]2CCCN(C(=O)[C@@H](C)[NH3+])CC2)cs1 ZINC000157298595 188309116 /nfs/dbraw/zinc/30/91/16/188309116.db2.gz AYHBFQZTBBQNLR-SNVBAGLBSA-N 2 2 282.413 0.833 20 0 CCADLP Cc1nc(C[N@@H+]2CCCN(C(=O)[C@@H](C)[NH3+])CC2)cs1 ZINC000157298595 188309117 /nfs/dbraw/zinc/30/91/17/188309117.db2.gz AYHBFQZTBBQNLR-SNVBAGLBSA-N 2 2 282.413 0.833 20 0 CCADLP O=C(C[NH2+]Cc1cccc2[nH+]ccn21)NCC(F)F ZINC000280397292 353360403 /nfs/dbraw/zinc/36/04/03/353360403.db2.gz XLMGLXAFSPFCSO-UHFFFAOYSA-N 2 2 268.267 0.805 20 0 CCADLP C[NH+]1CCN(c2ncc(C[NH2+]CCF)cn2)CC1 ZINC000280629264 353372228 /nfs/dbraw/zinc/37/22/28/353372228.db2.gz GUJDRCYSTHAUCU-UHFFFAOYSA-N 2 2 253.325 0.288 20 0 CCADLP O=C(N[C@@H]1CCC[NH2+]CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655456275 412578812 /nfs/dbraw/zinc/57/88/12/412578812.db2.gz CJQMQEYNBGYKFG-VXGBXAGGSA-N 2 2 262.357 0.704 20 0 CCADLP C[N@@H+]1CC[C@H]2CCN(C(=O)C=Cc3c[nH]c[nH+]3)[C@H]2C1 ZINC000283078613 353479098 /nfs/dbraw/zinc/47/90/98/353479098.db2.gz KWAGFJCXZRIENY-BZLCLMNCSA-N 2 2 260.341 0.976 20 0 CCADLP C[N@H+]1CC[C@H]2CCN(C(=O)C=Cc3c[nH]c[nH+]3)[C@H]2C1 ZINC000283078613 353479101 /nfs/dbraw/zinc/47/91/01/353479101.db2.gz KWAGFJCXZRIENY-BZLCLMNCSA-N 2 2 260.341 0.976 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000283928866 353537697 /nfs/dbraw/zinc/53/76/97/353537697.db2.gz MBNJDFWYNPCEBW-CYBMUJFWSA-N 2 2 274.324 0.395 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000283928866 353537700 /nfs/dbraw/zinc/53/77/00/353537700.db2.gz MBNJDFWYNPCEBW-CYBMUJFWSA-N 2 2 274.324 0.395 20 0 CCADLP CCn1nccc1CC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000284035025 353545132 /nfs/dbraw/zinc/54/51/32/353545132.db2.gz PLTURCPHDCIZTG-UHFFFAOYSA-N 2 2 293.415 0.151 20 0 CCADLP COC(=O)CC[C@@H]([NH3+])C(=O)NCCCNc1cccc[nH+]1 ZINC000289989836 353700269 /nfs/dbraw/zinc/70/02/69/353700269.db2.gz RDCFLSGTEQJKOE-LLVKDONJSA-N 2 2 294.355 0.280 20 0 CCADLP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000290082606 353706450 /nfs/dbraw/zinc/70/64/50/353706450.db2.gz WGZAQFMAVQMXLS-VXGBXAGGSA-N 2 2 250.346 0.778 20 0 CCADLP Cc1ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C)c(C)[nH+]1 ZINC000293265872 353799860 /nfs/dbraw/zinc/79/98/60/353799860.db2.gz TWKIRPZISVWMLS-SNVBAGLBSA-N 2 2 292.383 0.951 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)CN1CC[NH+](C)CC1 ZINC000606371526 363280300 /nfs/dbraw/zinc/28/03/00/363280300.db2.gz BVHLBYCLZWVKNU-GJZGRUSLSA-N 2 2 296.459 0.470 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)CN1CC[NH+](C)CC1 ZINC000606371526 363280306 /nfs/dbraw/zinc/28/03/06/363280306.db2.gz BVHLBYCLZWVKNU-GJZGRUSLSA-N 2 2 296.459 0.470 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccccc1 ZINC000300471969 354065026 /nfs/dbraw/zinc/06/50/26/354065026.db2.gz LJLGRFZKUNXYJF-GXTWGEPZSA-N 2 2 261.369 0.891 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccccc1 ZINC000300471969 354065030 /nfs/dbraw/zinc/06/50/30/354065030.db2.gz LJLGRFZKUNXYJF-GXTWGEPZSA-N 2 2 261.369 0.891 20 0 CCADLP Cn1ncc2c1nc[nH+]c2NCc1ccc(N)[nH+]c1 ZINC000302671053 354084543 /nfs/dbraw/zinc/08/45/43/354084543.db2.gz DOWONOKUGPNHQX-UHFFFAOYSA-N 2 2 255.285 0.953 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC[NH2+][C@H](C)C1 ZINC000300138261 354058848 /nfs/dbraw/zinc/05/88/48/354058848.db2.gz KCWQURKFAJZPIP-UTUOFQBUSA-N 2 2 250.346 0.776 20 0 CCADLP Cc1[nH+]cn(C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000304019081 354103185 /nfs/dbraw/zinc/10/31/85/354103185.db2.gz MLIKABQTHMUMBL-WDMOLILDSA-N 2 2 267.373 0.970 20 0 CCADLP Cc1[nH+]cn(C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000304019081 354103188 /nfs/dbraw/zinc/10/31/88/354103188.db2.gz MLIKABQTHMUMBL-WDMOLILDSA-N 2 2 267.373 0.970 20 0 CCADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@@H](O)C1 ZINC000304140217 354106933 /nfs/dbraw/zinc/10/69/33/354106933.db2.gz ZRBLXPWTGGEXCQ-HUUCEWRRSA-N 2 2 264.369 0.546 20 0 CCADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@@H](O)C1 ZINC000304140217 354106935 /nfs/dbraw/zinc/10/69/35/354106935.db2.gz ZRBLXPWTGGEXCQ-HUUCEWRRSA-N 2 2 264.369 0.546 20 0 CCADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CC[C@@H](O)C1 ZINC000304140217 354106938 /nfs/dbraw/zinc/10/69/38/354106938.db2.gz ZRBLXPWTGGEXCQ-HUUCEWRRSA-N 2 2 264.369 0.546 20 0 CCADLP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CC[C@@H](O)C1 ZINC000304140217 354106940 /nfs/dbraw/zinc/10/69/40/354106940.db2.gz ZRBLXPWTGGEXCQ-HUUCEWRRSA-N 2 2 264.369 0.546 20 0 CCADLP Cn1cc(C[NH+]2CCC([N@H+](C)CCCO)CC2)cn1 ZINC000304136635 354107059 /nfs/dbraw/zinc/10/70/59/354107059.db2.gz DRRRKGYCAZSWHD-UHFFFAOYSA-N 2 2 266.389 0.699 20 0 CCADLP Cn1cc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)cn1 ZINC000304136635 354107062 /nfs/dbraw/zinc/10/70/62/354107062.db2.gz DRRRKGYCAZSWHD-UHFFFAOYSA-N 2 2 266.389 0.699 20 0 CCADLP O=C1CCCN1C[C@H](O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000305249344 354141837 /nfs/dbraw/zinc/14/18/37/354141837.db2.gz UQHVNPKUYXCZGQ-CHWSQXEVSA-N 2 2 292.383 0.572 20 0 CCADLP O=C1CCCN1C[C@H](O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000305249344 354141840 /nfs/dbraw/zinc/14/18/40/354141840.db2.gz UQHVNPKUYXCZGQ-CHWSQXEVSA-N 2 2 292.383 0.572 20 0 CCADLP COC(=O)[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000310815015 354192821 /nfs/dbraw/zinc/19/28/21/354192821.db2.gz ATEKMYVZQUITIW-VXGBXAGGSA-N 2 2 258.362 0.182 20 0 CCADLP COC(=O)[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000310815015 354192824 /nfs/dbraw/zinc/19/28/24/354192824.db2.gz ATEKMYVZQUITIW-VXGBXAGGSA-N 2 2 258.362 0.182 20 0 CCADLP COC(=O)[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000310815015 354192828 /nfs/dbraw/zinc/19/28/28/354192828.db2.gz ATEKMYVZQUITIW-VXGBXAGGSA-N 2 2 258.362 0.182 20 0 CCADLP COC(=O)[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000310815015 354192832 /nfs/dbraw/zinc/19/28/32/354192832.db2.gz ATEKMYVZQUITIW-VXGBXAGGSA-N 2 2 258.362 0.182 20 0 CCADLP C[C@H](c1cnccn1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000311913185 354205199 /nfs/dbraw/zinc/20/51/99/354205199.db2.gz HTZGJUDHJUQVBH-OLZOCXBDSA-N 2 2 261.373 0.517 20 0 CCADLP O=S1(=O)CCCN1CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000328633486 354242231 /nfs/dbraw/zinc/24/22/31/354242231.db2.gz AYGIAIOJQGAROE-UHFFFAOYSA-N 2 2 298.412 0.556 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000329859883 354266448 /nfs/dbraw/zinc/26/64/48/354266448.db2.gz PBYLCMXUFCPLJM-OLZOCXBDSA-N 2 2 292.383 0.521 20 0 CCADLP O=C(C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)NC(=O)NC1CCCC1 ZINC000315067733 354223580 /nfs/dbraw/zinc/22/35/80/354223580.db2.gz LFKVZIYNFBJVOV-DGCLKSJQSA-N 2 2 294.399 0.439 20 0 CCADLP O=C(C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)NC(=O)NC1CCCC1 ZINC000315067733 354223583 /nfs/dbraw/zinc/22/35/83/354223583.db2.gz LFKVZIYNFBJVOV-DGCLKSJQSA-N 2 2 294.399 0.439 20 0 CCADLP O=C(NCCC[NH2+]C1CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655483995 412588957 /nfs/dbraw/zinc/58/89/57/412588957.db2.gz PNULRAMHUNAONV-LLVKDONJSA-N 2 2 262.357 0.704 20 0 CCADLP C[N@@H+]1CCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])[C@@H](C[NH3+])C1 ZINC000557169044 291024766 /nfs/dbraw/zinc/02/47/66/291024766.db2.gz PHPPFHYXDXRJHJ-HKGGGCDWSA-N 3 2 294.443 0.241 20 0 CCADLP C[N@H+]1CCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])[C@@H](C[NH3+])C1 ZINC000557169044 291024770 /nfs/dbraw/zinc/02/47/70/291024770.db2.gz PHPPFHYXDXRJHJ-HKGGGCDWSA-N 3 2 294.443 0.241 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CCNS(=O)(=O)CC)C[C@H]1C ZINC000330365331 354327877 /nfs/dbraw/zinc/32/78/77/354327877.db2.gz KZXYKVJGWQRVNO-OLZOCXBDSA-N 2 2 291.461 0.730 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CCNS(=O)(=O)CC)C[C@H]1C ZINC000330365331 354327880 /nfs/dbraw/zinc/32/78/80/354327880.db2.gz KZXYKVJGWQRVNO-OLZOCXBDSA-N 2 2 291.461 0.730 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CCNS(=O)(=O)CC)C[C@H]1C ZINC000330365331 354327882 /nfs/dbraw/zinc/32/78/82/354327882.db2.gz KZXYKVJGWQRVNO-OLZOCXBDSA-N 2 2 291.461 0.730 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CCNS(=O)(=O)CC)C[C@H]1C ZINC000330365331 354327884 /nfs/dbraw/zinc/32/78/84/354327884.db2.gz KZXYKVJGWQRVNO-OLZOCXBDSA-N 2 2 291.461 0.730 20 0 CCADLP CC(C)[C@@H](C)NC(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000330506858 354384682 /nfs/dbraw/zinc/38/46/82/354384682.db2.gz HPEZZESTJXYVGX-CYBMUJFWSA-N 2 2 293.415 0.703 20 0 CCADLP CC(C)CN(C(=O)C[N@@H+]1CCCO[C@@H](C[NH3+])C1)C1CC1 ZINC000557339126 291030944 /nfs/dbraw/zinc/03/09/44/291030944.db2.gz JWCLGTQXZSOAQS-AWEZNQCLSA-N 2 2 283.416 0.683 20 0 CCADLP CC(C)CN(C(=O)C[N@H+]1CCCO[C@@H](C[NH3+])C1)C1CC1 ZINC000557339126 291030947 /nfs/dbraw/zinc/03/09/47/291030947.db2.gz JWCLGTQXZSOAQS-AWEZNQCLSA-N 2 2 283.416 0.683 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000331356385 354548746 /nfs/dbraw/zinc/54/87/46/354548746.db2.gz RVRLBNRQMZNDBQ-VXGBXAGGSA-N 2 2 280.372 0.105 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000331356385 354548749 /nfs/dbraw/zinc/54/87/49/354548749.db2.gz RVRLBNRQMZNDBQ-VXGBXAGGSA-N 2 2 280.372 0.105 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCCC[NH2+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488661 412593364 /nfs/dbraw/zinc/59/33/64/412593364.db2.gz DSVZWEZQVYUIOT-IGQOVBAYSA-N 2 2 283.416 0.742 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCCC[NH2+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488661 412593367 /nfs/dbraw/zinc/59/33/67/412593367.db2.gz DSVZWEZQVYUIOT-IGQOVBAYSA-N 2 2 283.416 0.742 20 0 CCADLP C[C@H](C(=O)N1CC[NH+](C2CC2)CC1)[NH+]1CC(C)C1 ZINC000557575936 291036747 /nfs/dbraw/zinc/03/67/47/291036747.db2.gz QHALYZYSAIDMSZ-GFCCVEGCSA-N 2 2 251.374 0.633 20 0 CCADLP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)CC[NH2+]1 ZINC000262347942 291038024 /nfs/dbraw/zinc/03/80/24/291038024.db2.gz HZWDBOLHHKEUQM-SOUVJXGZSA-N 2 2 295.427 0.698 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCN(c3ccccc3)C2=O)CCCO1 ZINC000333901106 354812699 /nfs/dbraw/zinc/81/26/99/354812699.db2.gz ZGKAVRDXIONCKP-CABCVRRESA-N 2 2 289.379 0.842 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCN(c3ccccc3)C2=O)CCCO1 ZINC000333901106 354812701 /nfs/dbraw/zinc/81/27/01/354812701.db2.gz ZGKAVRDXIONCKP-CABCVRRESA-N 2 2 289.379 0.842 20 0 CCADLP CC[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)[C@@H]1CCC[NH2+]1 ZINC000333804540 354797502 /nfs/dbraw/zinc/79/75/02/354797502.db2.gz IIJGOPNVMCCKBN-AGIUHOORSA-N 2 2 289.445 0.531 20 0 CCADLP O=C(NCC[NH+]1CCC1)NCc1c[nH+]c2n1CCCC2 ZINC000557775273 291044296 /nfs/dbraw/zinc/04/42/96/291044296.db2.gz MYESBHIEKVMRPE-UHFFFAOYSA-N 2 2 277.372 0.724 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000423529791 283059430 /nfs/dbraw/zinc/05/94/30/283059430.db2.gz YFFVMFJWNXSZPE-KBUPBQIOSA-N 3 2 266.433 0.352 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000423529791 283059434 /nfs/dbraw/zinc/05/94/34/283059434.db2.gz YFFVMFJWNXSZPE-KBUPBQIOSA-N 3 2 266.433 0.352 20 0 CCADLP O=C(N1CCCC1)N1CCC[C@H]([NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000335028086 354940796 /nfs/dbraw/zinc/94/07/96/354940796.db2.gz WHQZYOKKYPYZKZ-OLZOCXBDSA-N 2 2 266.389 0.618 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC[NH2+]1 ZINC000423624214 235021322 /nfs/dbraw/zinc/02/13/22/235021322.db2.gz PGYUHMNYAYXOGS-VNHYZAJKSA-N 2 2 295.427 0.887 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC[NH2+]1 ZINC000423624214 235021326 /nfs/dbraw/zinc/02/13/26/235021326.db2.gz PGYUHMNYAYXOGS-VNHYZAJKSA-N 2 2 295.427 0.887 20 0 CCADLP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000423748170 235052979 /nfs/dbraw/zinc/05/29/79/235052979.db2.gz ANSSHSXQKJXHBE-FMKPAKJESA-N 2 2 295.427 0.873 20 0 CCADLP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000423748170 235052984 /nfs/dbraw/zinc/05/29/84/235052984.db2.gz ANSSHSXQKJXHBE-FMKPAKJESA-N 2 2 295.427 0.873 20 0 CCADLP Cc1nc(N2CCN(C(=O)C[NH2+]CC3CC3)CC2)cc[nH+]1 ZINC000423783863 235079294 /nfs/dbraw/zinc/07/92/94/235079294.db2.gz ORDFOWTUQTUCIC-UHFFFAOYSA-N 2 2 289.383 0.433 20 0 CCADLP O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)[C@@H]1CCCC[NH2+]1 ZINC000423760031 235063091 /nfs/dbraw/zinc/06/30/91/235063091.db2.gz PTVIVGZUUHHFEP-STQMWFEESA-N 2 2 267.373 0.108 20 0 CCADLP O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)[C@@H]1CCCC[NH2+]1 ZINC000423760031 235063094 /nfs/dbraw/zinc/06/30/94/235063094.db2.gz PTVIVGZUUHHFEP-STQMWFEESA-N 2 2 267.373 0.108 20 0 CCADLP C[C@@H](C[NH3+])C(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000423873601 235102064 /nfs/dbraw/zinc/10/20/64/235102064.db2.gz QWHWBJGLTVSLQB-WCQYABFASA-N 2 2 269.389 0.150 20 0 CCADLP C[C@@H](C[NH3+])C(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000423873601 235102067 /nfs/dbraw/zinc/10/20/67/235102067.db2.gz QWHWBJGLTVSLQB-WCQYABFASA-N 2 2 269.389 0.150 20 0 CCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CSC[NH2+]1 ZINC000423808000 235088424 /nfs/dbraw/zinc/08/84/24/235088424.db2.gz WSCDYBNHHKGESA-MNOVXSKESA-N 2 2 278.381 0.439 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CC2CCC2)C1 ZINC000336605986 355121098 /nfs/dbraw/zinc/12/10/98/355121098.db2.gz QISMHVKYOKMAGL-ZDUSSCGKSA-N 2 2 251.374 0.683 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC000336605986 355121100 /nfs/dbraw/zinc/12/11/00/355121100.db2.gz QISMHVKYOKMAGL-ZDUSSCGKSA-N 2 2 251.374 0.683 20 0 CCADLP C[C@H]([NH3+])CC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000423933912 235122168 /nfs/dbraw/zinc/12/21/68/235122168.db2.gz XMHURZLGNNUMQS-NWDGAFQWSA-N 2 2 292.383 0.865 20 0 CCADLP C[C@H]([NH3+])CC(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000423933913 235123244 /nfs/dbraw/zinc/12/32/44/235123244.db2.gz XMHURZLGNNUMQS-RYUDHWBXSA-N 2 2 292.383 0.865 20 0 CCADLP COCC1=CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)CC1 ZINC000336793330 355165796 /nfs/dbraw/zinc/16/57/96/355165796.db2.gz WHLZHEJUEDOMGN-AWEZNQCLSA-N 2 2 254.374 0.720 20 0 CCADLP COCC1=CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)CC1 ZINC000336793330 355165799 /nfs/dbraw/zinc/16/57/99/355165799.db2.gz WHLZHEJUEDOMGN-AWEZNQCLSA-N 2 2 254.374 0.720 20 0 CCADLP COCC1=CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000336793330 355165800 /nfs/dbraw/zinc/16/58/00/355165800.db2.gz WHLZHEJUEDOMGN-AWEZNQCLSA-N 2 2 254.374 0.720 20 0 CCADLP COCC1=CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000336793330 355165802 /nfs/dbraw/zinc/16/58/02/355165802.db2.gz WHLZHEJUEDOMGN-AWEZNQCLSA-N 2 2 254.374 0.720 20 0 CCADLP CCOC(=O)CC[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336792955 355166308 /nfs/dbraw/zinc/16/63/08/355166308.db2.gz UWWWBKPAURKOCZ-GFCCVEGCSA-N 2 2 258.362 0.327 20 0 CCADLP CCOC(=O)CC[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336792955 355166313 /nfs/dbraw/zinc/16/63/13/355166313.db2.gz UWWWBKPAURKOCZ-GFCCVEGCSA-N 2 2 258.362 0.327 20 0 CCADLP CCOC(=O)CC[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336792955 355166317 /nfs/dbraw/zinc/16/63/17/355166317.db2.gz UWWWBKPAURKOCZ-GFCCVEGCSA-N 2 2 258.362 0.327 20 0 CCADLP CCOC(=O)CC[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336792955 355166319 /nfs/dbraw/zinc/16/63/19/355166319.db2.gz UWWWBKPAURKOCZ-GFCCVEGCSA-N 2 2 258.362 0.327 20 0 CCADLP [NH3+][C@@H]1C[C@@H]1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000424060622 235145566 /nfs/dbraw/zinc/14/55/66/235145566.db2.gz QIEQUVPKGAAHRA-NWDGAFQWSA-N 2 2 260.341 0.645 20 0 CCADLP CS[C@H]1CN(CC[NH+]2CCOCC2)C[C@@H]1[NH+](C)C ZINC000336736932 355155783 /nfs/dbraw/zinc/15/57/83/355155783.db2.gz ZAELDATYFUAZFL-STQMWFEESA-N 2 2 273.446 0.296 20 0 CCADLP C(C[NH+]1CCOCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000336798204 355170278 /nfs/dbraw/zinc/17/02/78/355170278.db2.gz DBZGNMZCDSMWAU-OAHLLOKOSA-N 2 2 267.417 0.879 20 0 CCADLP Cn1cc[nH+]c1CN1CC[NH+](CCc2ccnn2C)CC1 ZINC000336845056 355214833 /nfs/dbraw/zinc/21/48/33/355214833.db2.gz NYMJPNORQRJURI-UHFFFAOYSA-N 2 2 288.399 0.514 20 0 CCADLP CC(C)CCC[C@@H](C)NC(=O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000336817263 355191106 /nfs/dbraw/zinc/19/11/06/355191106.db2.gz PMQCKINQUCJLNR-CHWSQXEVSA-N 2 2 273.421 0.569 20 0 CCADLP CC(C)CCC[C@@H](C)NC(=O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000336817263 355191107 /nfs/dbraw/zinc/19/11/07/355191107.db2.gz PMQCKINQUCJLNR-CHWSQXEVSA-N 2 2 273.421 0.569 20 0 CCADLP Cn1cc([C@@H]2CN(Cc3cc[nH+]c(N)c3)C[C@H]2[NH3+])cn1 ZINC000424285386 235194095 /nfs/dbraw/zinc/19/40/95/235194095.db2.gz DTTREEDCLZLSIS-QWHCGFSZSA-N 2 2 272.356 0.154 20 0 CCADLP CC[N@@H+]1CC[C@@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC000339092643 355485912 /nfs/dbraw/zinc/48/59/12/355485912.db2.gz XNBCCEYDENLVLP-LBPRGKRZSA-N 2 2 264.373 0.811 20 0 CCADLP CC[N@H+]1CC[C@@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC000339092643 355485914 /nfs/dbraw/zinc/48/59/14/355485914.db2.gz XNBCCEYDENLVLP-LBPRGKRZSA-N 2 2 264.373 0.811 20 0 CCADLP CO[C@@H]1CCN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000340255880 355539193 /nfs/dbraw/zinc/53/91/93/355539193.db2.gz RSHWBHZDSVDQDD-CQSZACIVSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NCc2[nH+]ccn2C)CC[N@@H+]1C ZINC000341157553 355618174 /nfs/dbraw/zinc/61/81/74/355618174.db2.gz HLSINSDPZIMSLA-GHMZBOCLSA-N 2 2 265.361 0.702 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NCc2[nH+]ccn2C)CC[N@H+]1C ZINC000341157553 355618178 /nfs/dbraw/zinc/61/81/78/355618178.db2.gz HLSINSDPZIMSLA-GHMZBOCLSA-N 2 2 265.361 0.702 20 0 CCADLP Cc1c[nH+]c(CN2CC[NH+](C[C@H](C)O)CC2)n1C ZINC000342769127 355742857 /nfs/dbraw/zinc/74/28/57/355742857.db2.gz PUGIWVDXCUXNCM-LBPRGKRZSA-N 2 2 252.362 0.227 20 0 CCADLP COC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343884199 355778451 /nfs/dbraw/zinc/77/84/51/355778451.db2.gz DOSNMUUZORFSJL-HZSPNIEDSA-N 2 2 283.416 0.506 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)NCc1cccnc1 ZINC000428036557 235390895 /nfs/dbraw/zinc/39/08/95/235390895.db2.gz RLNFXWRNUPQLLQ-KGLIPLIRSA-N 2 2 274.368 0.382 20 0 CCADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)NCc1cccnc1 ZINC000428036557 235390896 /nfs/dbraw/zinc/39/08/96/235390896.db2.gz RLNFXWRNUPQLLQ-KGLIPLIRSA-N 2 2 274.368 0.382 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000346997423 355874803 /nfs/dbraw/zinc/87/48/03/355874803.db2.gz WLTODOMWXNACCW-NWDGAFQWSA-N 2 2 262.419 0.741 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000346997423 355874807 /nfs/dbraw/zinc/87/48/07/355874807.db2.gz WLTODOMWXNACCW-NWDGAFQWSA-N 2 2 262.419 0.741 20 0 CCADLP C[C@H](C(N)=O)[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000348318777 355911636 /nfs/dbraw/zinc/91/16/36/355911636.db2.gz BEJHOWXXDDBYPW-BPLDGKMQSA-N 2 2 273.380 0.924 20 0 CCADLP CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351474132 356001083 /nfs/dbraw/zinc/00/10/83/356001083.db2.gz FLMLLIDIEIRRBH-CABCVRRESA-N 2 2 297.443 0.774 20 0 CCADLP CCN(CC)C(=O)[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351474132 356001087 /nfs/dbraw/zinc/00/10/87/356001087.db2.gz FLMLLIDIEIRRBH-CABCVRRESA-N 2 2 297.443 0.774 20 0 CCADLP CCN(CC)C(=O)[C@@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000351474132 356001090 /nfs/dbraw/zinc/00/10/90/356001090.db2.gz FLMLLIDIEIRRBH-CABCVRRESA-N 2 2 297.443 0.774 20 0 CCADLP CCN(CC)C(=O)[C@@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351474132 356001094 /nfs/dbraw/zinc/00/10/94/356001094.db2.gz FLMLLIDIEIRRBH-CABCVRRESA-N 2 2 297.443 0.774 20 0 CCADLP C[N@H+](CCNC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CC1 ZINC000352679515 356050983 /nfs/dbraw/zinc/05/09/83/356050983.db2.gz UTMOCLZNOWKKLD-UHFFFAOYSA-N 2 2 298.431 0.491 20 0 CCADLP C[N@@H+](CCNC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CC1 ZINC000352679515 356050988 /nfs/dbraw/zinc/05/09/88/356050988.db2.gz UTMOCLZNOWKKLD-UHFFFAOYSA-N 2 2 298.431 0.491 20 0 CCADLP c1cc2c(c(C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)c1)OCO2 ZINC000352693868 356055711 /nfs/dbraw/zinc/05/57/11/356055711.db2.gz UMZWHNQPFJAXNA-CQSZACIVSA-N 2 2 289.379 0.895 20 0 CCADLP COCC[NH+]1CCC([NH2+]Cc2cnnn2C)CC1 ZINC000352591958 356024414 /nfs/dbraw/zinc/02/44/14/356024414.db2.gz XWYUDTTVUFXMRF-UHFFFAOYSA-N 2 2 253.350 0.016 20 0 CCADLP Cc1cc(N(C)C2CC[NH+](CCO)CC2)nc[nH+]1 ZINC000352966372 356122659 /nfs/dbraw/zinc/12/26/59/356122659.db2.gz JYMYFAPHUFNATK-UHFFFAOYSA-N 2 2 250.346 0.678 20 0 CCADLP C[C@@H](C(=O)NCCC[NH+]1CCCC1)[NH+]1CCN(C)CC1 ZINC000352768761 356074555 /nfs/dbraw/zinc/07/45/55/356074555.db2.gz JAWWATLKYBFUIC-AWEZNQCLSA-N 2 2 282.432 0.224 20 0 CCADLP O=C(NC[C@@H]1CC[NH2+]C1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000272996347 192013582 /nfs/dbraw/zinc/01/35/82/192013582.db2.gz GNPCSZBMDJATJH-LLVKDONJSA-N 2 2 271.324 0.607 20 0 CCADLP C[C@@H](C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)[NH+]1CCOCC1 ZINC000353047637 356146297 /nfs/dbraw/zinc/14/62/97/356146297.db2.gz NRSKROWCVGIMLG-DZGCQCFKSA-N 2 2 295.427 0.698 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000353426258 356219392 /nfs/dbraw/zinc/21/93/92/356219392.db2.gz IVRZXIILSKCXQA-MJBXVCDLSA-N 2 2 282.432 0.127 20 0 CCADLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)N2CCNC(=O)C2)CC1 ZINC000328719297 202027348 /nfs/dbraw/zinc/02/73/48/202027348.db2.gz QFFHQEZRZOHLGK-UHFFFAOYSA-N 2 2 296.415 0.590 20 0 CCADLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)N2CCNC(=O)C2)CC1 ZINC000328719297 202027352 /nfs/dbraw/zinc/02/73/52/202027352.db2.gz QFFHQEZRZOHLGK-UHFFFAOYSA-N 2 2 296.415 0.590 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CC2(O)CCC2)CC1 ZINC000353486561 356236127 /nfs/dbraw/zinc/23/61/27/356236127.db2.gz BOTVKPRMAPPFON-ZDUSSCGKSA-N 2 2 283.416 0.386 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CC2(O)CCC2)CC1 ZINC000353486561 356236131 /nfs/dbraw/zinc/23/61/31/356236131.db2.gz BOTVKPRMAPPFON-ZDUSSCGKSA-N 2 2 283.416 0.386 20 0 CCADLP CCC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000353573819 356251812 /nfs/dbraw/zinc/25/18/12/356251812.db2.gz BHHPCFZZRKNJHC-CYBMUJFWSA-N 2 2 279.388 0.192 20 0 CCADLP CCCC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000353581632 356253664 /nfs/dbraw/zinc/25/36/64/356253664.db2.gz YWTHFPVEHJJOSC-RYUDHWBXSA-N 2 2 257.378 0.341 20 0 CCADLP CCCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000353581632 356253670 /nfs/dbraw/zinc/25/36/70/356253670.db2.gz YWTHFPVEHJJOSC-RYUDHWBXSA-N 2 2 257.378 0.341 20 0 CCADLP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC[N@@H+]1C ZINC000360819670 138011826 /nfs/dbraw/zinc/01/18/26/138011826.db2.gz SZBISRWPDUGOSD-MXWKQRLJSA-N 2 2 275.343 0.925 20 0 CCADLP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC[N@H+]1C ZINC000360819670 138011827 /nfs/dbraw/zinc/01/18/27/138011827.db2.gz SZBISRWPDUGOSD-MXWKQRLJSA-N 2 2 275.343 0.925 20 0 CCADLP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000360814211 138012111 /nfs/dbraw/zinc/01/21/11/138012111.db2.gz AXAKFYDQSDOTKU-MWLCHTKSSA-N 2 2 273.327 0.584 20 0 CCADLP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000360814211 138012112 /nfs/dbraw/zinc/01/21/12/138012112.db2.gz AXAKFYDQSDOTKU-MWLCHTKSSA-N 2 2 273.327 0.584 20 0 CCADLP CC(C)C[C@@H]([NH3+])C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000353666505 356269613 /nfs/dbraw/zinc/26/96/13/356269613.db2.gz BFHSQVNWZOVHAV-GFCCVEGCSA-N 2 2 279.388 0.427 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000360901262 138015621 /nfs/dbraw/zinc/01/56/21/138015621.db2.gz IJIGFSMFZBBOCR-VXGBXAGGSA-N 2 2 280.372 0.536 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000361083134 138021055 /nfs/dbraw/zinc/02/10/55/138021055.db2.gz GDKMHDZCEFYQJU-OAHLLOKOSA-N 2 2 297.443 0.945 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000361083134 138021056 /nfs/dbraw/zinc/02/10/56/138021056.db2.gz GDKMHDZCEFYQJU-OAHLLOKOSA-N 2 2 297.443 0.945 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)NCC(C)(C)[NH+](C)C ZINC000354100543 356346888 /nfs/dbraw/zinc/34/68/88/356346888.db2.gz SIVSVYLKDQXAFT-UHFFFAOYSA-N 2 2 294.355 0.485 20 0 CCADLP Cc1nc(NCC[N@H+](C)C2CCCC2)nc(N(C)C)[nH+]1 ZINC000532269257 358502586 /nfs/dbraw/zinc/50/25/86/358502586.db2.gz SLJIKSCMWVCKCL-UHFFFAOYSA-N 2 2 278.404 0.954 20 0 CCADLP Cc1nc(NCC[N@@H+](C)C2CCCC2)nc(N(C)C)[nH+]1 ZINC000532269257 358502590 /nfs/dbraw/zinc/50/25/90/358502590.db2.gz SLJIKSCMWVCKCL-UHFFFAOYSA-N 2 2 278.404 0.954 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCO[C@H](C3CC3)C2)CC1 ZINC000362562917 138064382 /nfs/dbraw/zinc/06/43/82/138064382.db2.gz VGDFGFNKUHZFES-HIFRSBDPSA-N 2 2 295.427 0.650 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCO[C@H](C3CC3)C2)CC1 ZINC000362562917 138064383 /nfs/dbraw/zinc/06/43/83/138064383.db2.gz VGDFGFNKUHZFES-HIFRSBDPSA-N 2 2 295.427 0.650 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CCOCC2CC2)C1 ZINC000362842618 138076954 /nfs/dbraw/zinc/07/69/54/138076954.db2.gz ZWTVKQFGERHCJB-CQSZACIVSA-N 2 2 281.400 0.309 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000362964963 138082996 /nfs/dbraw/zinc/08/29/96/138082996.db2.gz YKHVYFCKSXYHJR-JHJVBQTASA-N 2 2 276.384 0.934 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000362964963 138082997 /nfs/dbraw/zinc/08/29/97/138082997.db2.gz YKHVYFCKSXYHJR-JHJVBQTASA-N 2 2 276.384 0.934 20 0 CCADLP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H](O)C(F)(F)F)C2)C1 ZINC000335570428 283170445 /nfs/dbraw/zinc/17/04/45/283170445.db2.gz OXNVBWHWXIRUBX-ZJUUUORDSA-N 2 2 252.280 0.937 20 0 CCADLP C[N@H+]1CC[C@]2(CC[NH+](C[C@@H](O)C(F)(F)F)C2)C1 ZINC000335570428 283170446 /nfs/dbraw/zinc/17/04/46/283170446.db2.gz OXNVBWHWXIRUBX-ZJUUUORDSA-N 2 2 252.280 0.937 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H](O)C(F)(F)F)C2)C1 ZINC000335570428 283170447 /nfs/dbraw/zinc/17/04/47/283170447.db2.gz OXNVBWHWXIRUBX-ZJUUUORDSA-N 2 2 252.280 0.937 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H](O)C(F)(F)F)C2)C1 ZINC000335570428 283170448 /nfs/dbraw/zinc/17/04/48/283170448.db2.gz OXNVBWHWXIRUBX-ZJUUUORDSA-N 2 2 252.280 0.937 20 0 CCADLP COC(=O)C1(O)CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000354827910 356507230 /nfs/dbraw/zinc/50/72/30/356507230.db2.gz GXQLAZVWRSBIAM-UHFFFAOYSA-N 2 2 267.329 0.191 20 0 CCADLP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609258439 363480985 /nfs/dbraw/zinc/48/09/85/363480985.db2.gz VVEFGJULWHYNHL-GFCCVEGCSA-N 2 2 294.355 0.199 20 0 CCADLP COC(=O)CCNC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609258439 363480991 /nfs/dbraw/zinc/48/09/91/363480991.db2.gz VVEFGJULWHYNHL-GFCCVEGCSA-N 2 2 294.355 0.199 20 0 CCADLP C[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC000355817959 356654244 /nfs/dbraw/zinc/65/42/44/356654244.db2.gz YYFWLUZRMOKBPQ-DZGCQCFKSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC000355817959 356654246 /nfs/dbraw/zinc/65/42/46/356654246.db2.gz YYFWLUZRMOKBPQ-DZGCQCFKSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@H]1C[NH+](C)CCN1C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000355817959 356654247 /nfs/dbraw/zinc/65/42/47/356654247.db2.gz YYFWLUZRMOKBPQ-DZGCQCFKSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@H]1C[NH+](C)CCN1C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000355817959 356654249 /nfs/dbraw/zinc/65/42/49/356654249.db2.gz YYFWLUZRMOKBPQ-DZGCQCFKSA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)N(C)C(=O)[C@H](C)[NH+]1CCC([N@H+](C)CCO)CC1 ZINC000355933381 356672455 /nfs/dbraw/zinc/67/24/55/356672455.db2.gz CHZPARFOYQCDAR-ZDUSSCGKSA-N 2 2 285.432 0.630 20 0 CCADLP CC(C)N(C)C(=O)[C@H](C)[NH+]1CCC([N@@H+](C)CCO)CC1 ZINC000355933381 356672460 /nfs/dbraw/zinc/67/24/60/356672460.db2.gz CHZPARFOYQCDAR-ZDUSSCGKSA-N 2 2 285.432 0.630 20 0 CCADLP COCc1nc(C[NH+]2CCC(C[NH+](C)C)CC2)no1 ZINC000356212098 356724327 /nfs/dbraw/zinc/72/43/27/356724327.db2.gz FZMHQUSXSYQPTI-UHFFFAOYSA-N 2 2 268.361 0.990 20 0 CCADLP C[C@@H](C(=O)N(CC[NH+]1CCOCC1)CC1CC1)[NH+](C)C ZINC000619890459 366370653 /nfs/dbraw/zinc/37/06/53/366370653.db2.gz YKUKKUHSWAIBBY-ZDUSSCGKSA-N 2 2 283.416 0.507 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)N(CC[NH+]2CCOCC2)CC2CC2)C1 ZINC000619884927 366369914 /nfs/dbraw/zinc/36/99/14/366369914.db2.gz ILWDWLDIYZVQNO-HNNXBMFYSA-N 2 2 295.427 0.509 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)N(CC[NH+]2CCOCC2)CC2CC2)C1 ZINC000619884927 366369920 /nfs/dbraw/zinc/36/99/20/366369920.db2.gz ILWDWLDIYZVQNO-HNNXBMFYSA-N 2 2 295.427 0.509 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000359276840 356791932 /nfs/dbraw/zinc/79/19/32/356791932.db2.gz RWGSRVIBBFKCRS-OLZOCXBDSA-N 2 2 271.405 0.554 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000359276840 356791935 /nfs/dbraw/zinc/79/19/35/356791935.db2.gz RWGSRVIBBFKCRS-OLZOCXBDSA-N 2 2 271.405 0.554 20 0 CCADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCC1(c2ccccc2)CC1 ZINC000359312395 356800068 /nfs/dbraw/zinc/80/00/68/356800068.db2.gz ACTMLGCQPIGDCU-GASCZTMLSA-N 2 2 299.418 0.986 20 0 CCADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NCC1(c2ccccc2)CC1 ZINC000359312395 356800071 /nfs/dbraw/zinc/80/00/71/356800071.db2.gz ACTMLGCQPIGDCU-GASCZTMLSA-N 2 2 299.418 0.986 20 0 CCADLP COCC[NH+]1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000359361641 356809129 /nfs/dbraw/zinc/80/91/29/356809129.db2.gz OSXIAJGCMGUUSB-UHFFFAOYSA-N 2 2 296.371 0.140 20 0 CCADLP CCC[NH+]1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000359385845 356812679 /nfs/dbraw/zinc/81/26/79/356812679.db2.gz HQNJLYFUCBGCIE-UHFFFAOYSA-N 2 2 280.372 0.904 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CC2(S(C)(=O)=O)CC2)CC[N@@H+]1C ZINC000359024102 356786703 /nfs/dbraw/zinc/78/67/03/356786703.db2.gz AFKULWNTQINJBA-MNOVXSKESA-N 2 2 260.403 0.636 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CC2(S(C)(=O)=O)CC2)CC[N@H+]1C ZINC000359024102 356786709 /nfs/dbraw/zinc/78/67/09/356786709.db2.gz AFKULWNTQINJBA-MNOVXSKESA-N 2 2 260.403 0.636 20 0 CCADLP CCOC(=O)c1c[nH+]ccc1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000359556151 356842932 /nfs/dbraw/zinc/84/29/32/356842932.db2.gz CNEVAOQHCFAIIM-KGLIPLIRSA-N 2 2 291.351 0.778 20 0 CCADLP CCOC(=O)c1c[nH+]ccc1N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000359556151 356842935 /nfs/dbraw/zinc/84/29/35/356842935.db2.gz CNEVAOQHCFAIIM-KGLIPLIRSA-N 2 2 291.351 0.778 20 0 CCADLP C[N@@H+]1CCC[C@H](NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655697988 412645254 /nfs/dbraw/zinc/64/52/54/412645254.db2.gz XQTNMUBKVQMYKS-GJZGRUSLSA-N 2 2 267.417 0.924 20 0 CCADLP C[N@H+]1CCC[C@H](NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655697988 412645257 /nfs/dbraw/zinc/64/52/57/412645257.db2.gz XQTNMUBKVQMYKS-GJZGRUSLSA-N 2 2 267.417 0.924 20 0 CCADLP CN1CCC[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655697988 412645261 /nfs/dbraw/zinc/64/52/61/412645261.db2.gz XQTNMUBKVQMYKS-GJZGRUSLSA-N 2 2 267.417 0.924 20 0 CCADLP CCCN(CC[NH+](C)C)C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000344839739 283227582 /nfs/dbraw/zinc/22/75/82/283227582.db2.gz BQYKGCLSWSMBNS-CQSZACIVSA-N 2 2 284.448 0.423 20 0 CCADLP C[C@H](C(=O)NCC[N@H+]1CC[C@@H](C)C1)[NH+]1CCSCC1 ZINC000532763752 358512759 /nfs/dbraw/zinc/51/27/59/358512759.db2.gz LACWYGJHBVTVET-CHWSQXEVSA-N 2 2 285.457 0.882 20 0 CCADLP OC[C@H]([NH2+]CCCn1cc[nH+]c1)C1CCOCC1 ZINC000359874679 356913648 /nfs/dbraw/zinc/91/36/48/356913648.db2.gz MJYCAGBSNUCPBQ-ZDUSSCGKSA-N 2 2 253.346 0.650 20 0 CCADLP C[N@@H+]1CCC[C@H](NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655697990 412646075 /nfs/dbraw/zinc/64/60/75/412646075.db2.gz XQTNMUBKVQMYKS-LSDHHAIUSA-N 2 2 267.417 0.924 20 0 CCADLP C[N@H+]1CCC[C@H](NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655697990 412646077 /nfs/dbraw/zinc/64/60/77/412646077.db2.gz XQTNMUBKVQMYKS-LSDHHAIUSA-N 2 2 267.417 0.924 20 0 CCADLP CN1CCC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655697990 412646082 /nfs/dbraw/zinc/64/60/82/412646082.db2.gz XQTNMUBKVQMYKS-LSDHHAIUSA-N 2 2 267.417 0.924 20 0 CCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC000329154962 202208250 /nfs/dbraw/zinc/20/82/50/202208250.db2.gz AQVBQJOLBLGEHF-GXTWGEPZSA-N 2 2 292.383 0.664 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000364366806 357112978 /nfs/dbraw/zinc/11/29/78/357112978.db2.gz QCTCTSOUFAMOQU-CHWSQXEVSA-N 2 2 278.356 0.253 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000364366806 357112980 /nfs/dbraw/zinc/11/29/80/357112980.db2.gz QCTCTSOUFAMOQU-CHWSQXEVSA-N 2 2 278.356 0.253 20 0 CCADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC(=O)NC(N)=O)C1 ZINC000364067207 357082845 /nfs/dbraw/zinc/08/28/45/357082845.db2.gz TXWBWNJOBGTGJF-QWHCGFSZSA-N 2 2 296.415 0.768 20 0 CCADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC(=O)NC(N)=O)C1 ZINC000364067207 357082851 /nfs/dbraw/zinc/08/28/51/357082851.db2.gz TXWBWNJOBGTGJF-QWHCGFSZSA-N 2 2 296.415 0.768 20 0 CCADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC(=O)NC(N)=O)C1 ZINC000364067207 357082854 /nfs/dbraw/zinc/08/28/54/357082854.db2.gz TXWBWNJOBGTGJF-QWHCGFSZSA-N 2 2 296.415 0.768 20 0 CCADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000364067207 357082859 /nfs/dbraw/zinc/08/28/59/357082859.db2.gz TXWBWNJOBGTGJF-QWHCGFSZSA-N 2 2 296.415 0.768 20 0 CCADLP Cn1ncc2c1nc(N[C@H]1CC[N@@H+]3CCC[C@H]3C1)[nH+]c2N ZINC000365051261 357134951 /nfs/dbraw/zinc/13/49/51/357134951.db2.gz GOFLHXHPTJUIAT-UWVGGRQHSA-N 2 2 287.371 0.406 20 0 CCADLP Cn1ncc2c1nc(N[C@H]1CC[N@H+]3CCC[C@H]3C1)[nH+]c2N ZINC000365051261 357134958 /nfs/dbraw/zinc/13/49/58/357134958.db2.gz GOFLHXHPTJUIAT-UWVGGRQHSA-N 2 2 287.371 0.406 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365403194 357149769 /nfs/dbraw/zinc/14/97/69/357149769.db2.gz LURFQFMAQIVPFZ-LLVKDONJSA-N 2 2 270.377 0.248 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365403194 357149774 /nfs/dbraw/zinc/14/97/74/357149774.db2.gz LURFQFMAQIVPFZ-LLVKDONJSA-N 2 2 270.377 0.248 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)N2CCC2)C1 ZINC000365631955 357163462 /nfs/dbraw/zinc/16/34/62/357163462.db2.gz RYVQOSORJGVQIU-LBPRGKRZSA-N 2 2 262.357 0.832 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC000365631955 357163464 /nfs/dbraw/zinc/16/34/64/357163464.db2.gz RYVQOSORJGVQIU-LBPRGKRZSA-N 2 2 262.357 0.832 20 0 CCADLP COC[C@H](CCO)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655726781 412651449 /nfs/dbraw/zinc/65/14/49/412651449.db2.gz PRLYOSJCIYOOJU-KBPBESRZSA-N 2 2 272.389 0.227 20 0 CCADLP CN1C[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCC1=O ZINC000655723933 412652831 /nfs/dbraw/zinc/65/28/31/412652831.db2.gz JNPGHVZBPMQIJJ-UONOGXRCSA-N 2 2 281.400 0.450 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655754782 412654263 /nfs/dbraw/zinc/65/42/63/412654263.db2.gz HHHSCNJBRXHEKU-HZPDHXFCSA-N 3 2 297.443 0.286 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655754782 412654266 /nfs/dbraw/zinc/65/42/66/412654266.db2.gz HHHSCNJBRXHEKU-HZPDHXFCSA-N 3 2 297.443 0.286 20 0 CCADLP CC[N@H+](CC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C)C1CC1 ZINC000376217146 357446612 /nfs/dbraw/zinc/44/66/12/357446612.db2.gz CSFWEEOAILOLEQ-HIFRSBDPSA-N 2 2 295.427 0.792 20 0 CCADLP CC[N@@H+](CC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C)C1CC1 ZINC000376217146 357446613 /nfs/dbraw/zinc/44/66/13/357446613.db2.gz CSFWEEOAILOLEQ-HIFRSBDPSA-N 2 2 295.427 0.792 20 0 CCADLP CN(C(=O)C1([NH+]2CCOCC2)CCC1)[C@H]1CCC[N@H+](C)C1 ZINC000376266937 357450479 /nfs/dbraw/zinc/45/04/79/357450479.db2.gz QPCMQGHHENNQMI-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP CN(C(=O)C1([NH+]2CCOCC2)CCC1)[C@H]1CCC[N@@H+](C)C1 ZINC000376266937 357450482 /nfs/dbraw/zinc/45/04/82/357450482.db2.gz QPCMQGHHENNQMI-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(C)(C)[NH3+])C2)CC1 ZINC000377197174 357551256 /nfs/dbraw/zinc/55/12/56/357551256.db2.gz KXTQENMOEMLDDG-NSHDSACASA-N 3 2 268.405 0.008 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(C)(C)[NH3+])C2)CC1 ZINC000377197174 357551259 /nfs/dbraw/zinc/55/12/59/357551259.db2.gz KXTQENMOEMLDDG-NSHDSACASA-N 3 2 268.405 0.008 20 0 CCADLP CO[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655776937 412658402 /nfs/dbraw/zinc/65/84/02/412658402.db2.gz MWYUWHZJYKQJSL-QLFBSQMISA-N 2 2 284.400 0.633 20 0 CCADLP CC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)NC ZINC000655774937 412657803 /nfs/dbraw/zinc/65/78/03/412657803.db2.gz MTWCIGIXMCRGTM-STQMWFEESA-N 2 2 269.389 0.354 20 0 CCADLP CCN1C[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1=O ZINC000655772797 412658145 /nfs/dbraw/zinc/65/81/45/412658145.db2.gz QYMZJEYJXVROSM-KBPBESRZSA-N 2 2 281.400 0.450 20 0 CCADLP COc1nccc(C[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)n1 ZINC000449120087 236018514 /nfs/dbraw/zinc/01/85/14/236018514.db2.gz BKYLXRQTHKUVOM-AWEZNQCLSA-N 2 2 294.399 0.668 20 0 CCADLP CCC[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000343317903 534918984 /nfs/dbraw/zinc/91/89/84/534918984.db2.gz HSGMTKQXNXOMKH-ZDUSSCGKSA-N 2 2 285.457 0.978 20 0 CCADLP CCC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000343317903 534918992 /nfs/dbraw/zinc/91/89/92/534918992.db2.gz HSGMTKQXNXOMKH-ZDUSSCGKSA-N 2 2 285.457 0.978 20 0 CCADLP C[C@H](Cn1cccn1)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449395142 236031681 /nfs/dbraw/zinc/03/16/81/236031681.db2.gz IAUCBANDSFDWTI-ZIAGYGMSSA-N 2 2 266.389 0.708 20 0 CCADLP C[C@H](Cn1cccn1)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449395142 236031682 /nfs/dbraw/zinc/03/16/82/236031682.db2.gz IAUCBANDSFDWTI-ZIAGYGMSSA-N 2 2 266.389 0.708 20 0 CCADLP CN(CCC[NH3+])Cc1cn(Cc2cn3ccccc3[nH+]2)nn1 ZINC000392781780 357749155 /nfs/dbraw/zinc/74/91/55/357749155.db2.gz RDBUBEHRTKUUJP-UHFFFAOYSA-N 2 2 299.382 0.755 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(F)(F)[C@H](CO)C1 ZINC000403948805 357811610 /nfs/dbraw/zinc/81/16/10/357811610.db2.gz DBTRFKREISITCG-WDEREUQCSA-N 2 2 266.332 0.249 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(F)(F)[C@H](CO)C1 ZINC000403948805 357811613 /nfs/dbraw/zinc/81/16/13/357811613.db2.gz DBTRFKREISITCG-WDEREUQCSA-N 2 2 266.332 0.249 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000403948805 357811615 /nfs/dbraw/zinc/81/16/15/357811615.db2.gz DBTRFKREISITCG-WDEREUQCSA-N 2 2 266.332 0.249 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000403948805 357811619 /nfs/dbraw/zinc/81/16/19/357811619.db2.gz DBTRFKREISITCG-WDEREUQCSA-N 2 2 266.332 0.249 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000450254955 236077250 /nfs/dbraw/zinc/07/72/50/236077250.db2.gz WXJCLUQVFOLULI-CYBMUJFWSA-N 2 2 269.389 0.119 20 0 CCADLP C[C@@H](O)CNc1cc(N[C@@H](C)C[NH+]2CCOCC2)nc[nH+]1 ZINC000294391204 199022329 /nfs/dbraw/zinc/02/23/29/199022329.db2.gz MUBZNKNZYCPOEY-NWDGAFQWSA-N 2 2 295.387 0.402 20 0 CCADLP CCCN(C(=O)NCC[N@@H+]1CCOC[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000561164338 291118797 /nfs/dbraw/zinc/11/87/97/291118797.db2.gz PQPZBHVHFPNMSK-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CCCN(C(=O)NCC[N@H+]1CCOC[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000561164338 291118800 /nfs/dbraw/zinc/11/88/00/291118800.db2.gz PQPZBHVHFPNMSK-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CO[C@@H]1C[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C12CCC2 ZINC000453089683 236273357 /nfs/dbraw/zinc/27/33/57/236273357.db2.gz RSRXSRDZNLBCTH-QWHCGFSZSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1[nH+]ccn1C ZINC000408434916 358092403 /nfs/dbraw/zinc/09/24/03/358092403.db2.gz JUIJMGPMRJKLAA-NWDGAFQWSA-N 2 2 279.388 0.902 20 0 CCADLP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1[nH+]ccn1C ZINC000408434916 358092409 /nfs/dbraw/zinc/09/24/09/358092409.db2.gz JUIJMGPMRJKLAA-NWDGAFQWSA-N 2 2 279.388 0.902 20 0 CCADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000423379028 358199706 /nfs/dbraw/zinc/19/97/06/358199706.db2.gz LMGUALOMNCRFOD-GHMZBOCLSA-N 2 2 285.413 0.983 20 0 CCADLP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000423395419 358199919 /nfs/dbraw/zinc/19/99/19/358199919.db2.gz SUQMEPGLSPZEGR-OLZOCXBDSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000423395419 358199924 /nfs/dbraw/zinc/19/99/24/358199924.db2.gz SUQMEPGLSPZEGR-OLZOCXBDSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000423721091 358204592 /nfs/dbraw/zinc/20/45/92/358204592.db2.gz BLORZOQFSFSOQB-LJISPDSOSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000423721091 358204597 /nfs/dbraw/zinc/20/45/97/358204597.db2.gz BLORZOQFSFSOQB-LJISPDSOSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@H]1CN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])C[C@H](C)O1 ZINC000424277873 358210574 /nfs/dbraw/zinc/21/05/74/358210574.db2.gz BDMPWAFPMOJDMJ-WUHRBBMRSA-N 2 2 269.389 0.482 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC[C@H]2CCCO2)C1 ZINC000430948204 358229144 /nfs/dbraw/zinc/22/91/44/358229144.db2.gz HKCNZYNGJXQLGD-FRRDWIJNSA-N 2 2 269.389 0.211 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)C(=O)NC[C@H]2CCCO2)C1 ZINC000430948204 358229148 /nfs/dbraw/zinc/22/91/48/358229148.db2.gz HKCNZYNGJXQLGD-FRRDWIJNSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@@H+]2CCO)CCO1 ZINC000449394972 358251388 /nfs/dbraw/zinc/25/13/88/358251388.db2.gz OVNAFAPBRWLDLC-HZSPNIEDSA-N 2 2 256.390 0.990 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@H+]2CCO)CCO1 ZINC000449394972 358251392 /nfs/dbraw/zinc/25/13/92/358251392.db2.gz OVNAFAPBRWLDLC-HZSPNIEDSA-N 2 2 256.390 0.990 20 0 CCADLP C[C@@H](CC(=O)N(C)C)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449395002 358251896 /nfs/dbraw/zinc/25/18/96/358251896.db2.gz PAFMJTCZISXGKX-QWHCGFSZSA-N 2 2 271.405 0.290 20 0 CCADLP C[C@@H](CC(=O)N(C)C)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449395002 358251901 /nfs/dbraw/zinc/25/19/01/358251901.db2.gz PAFMJTCZISXGKX-QWHCGFSZSA-N 2 2 271.405 0.290 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247531607 283359403 /nfs/dbraw/zinc/35/94/03/283359403.db2.gz OGGAVRSDUYNEQJ-VXGBXAGGSA-N 2 2 284.404 0.637 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247531607 283359404 /nfs/dbraw/zinc/35/94/04/283359404.db2.gz OGGAVRSDUYNEQJ-VXGBXAGGSA-N 2 2 284.404 0.637 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247531607 283359405 /nfs/dbraw/zinc/35/94/05/283359405.db2.gz OGGAVRSDUYNEQJ-VXGBXAGGSA-N 2 2 284.404 0.637 20 0 CCADLP CNC(=O)NC(=O)[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247531607 283359406 /nfs/dbraw/zinc/35/94/06/283359406.db2.gz OGGAVRSDUYNEQJ-VXGBXAGGSA-N 2 2 284.404 0.637 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)CCC1(F)F ZINC000336191001 213010133 /nfs/dbraw/zinc/01/01/33/213010133.db2.gz UBHLKHRJPCEMDH-NSHDSACASA-N 2 2 275.343 0.738 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CCC1(F)F ZINC000336191001 213010134 /nfs/dbraw/zinc/01/01/34/213010134.db2.gz UBHLKHRJPCEMDH-NSHDSACASA-N 2 2 275.343 0.738 20 0 CCADLP CC[NH+]1CCN(CCC(=O)N2CC(n3cc[nH+]c3)C2)CC1 ZINC000530585312 358409648 /nfs/dbraw/zinc/40/96/48/358409648.db2.gz AEJNUDKZBUYQGK-UHFFFAOYSA-N 2 2 291.399 0.294 20 0 CCADLP CCN1CC[NH+](CCC(=O)N2CC(n3cc[nH+]c3)C2)CC1 ZINC000530585312 358409650 /nfs/dbraw/zinc/40/96/50/358409650.db2.gz AEJNUDKZBUYQGK-UHFFFAOYSA-N 2 2 291.399 0.294 20 0 CCADLP C[C@@H](c1nnnn1C)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530239154 358385199 /nfs/dbraw/zinc/38/51/99/358385199.db2.gz DNVIBHWBOCTLSQ-AAEUAGOBSA-N 2 2 294.403 0.362 20 0 CCADLP CCn1ncnc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530238717 358385330 /nfs/dbraw/zinc/38/53/30/358385330.db2.gz BAIWJBNYNVZYJW-CQSZACIVSA-N 2 2 293.415 0.889 20 0 CCADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000531056571 358438438 /nfs/dbraw/zinc/43/84/38/358438438.db2.gz TVUHJYBXXQZEIN-MELADBBJSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000531056571 358438444 /nfs/dbraw/zinc/43/84/44/358438444.db2.gz TVUHJYBXXQZEIN-MELADBBJSA-N 2 2 283.416 0.696 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1CCCc1c[nH+]cn1C ZINC000565547499 358563338 /nfs/dbraw/zinc/56/33/38/358563338.db2.gz BPUOWFPPGQBIGL-OLZOCXBDSA-N 2 2 281.356 0.615 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000565547499 358563340 /nfs/dbraw/zinc/56/33/40/358563340.db2.gz BPUOWFPPGQBIGL-OLZOCXBDSA-N 2 2 281.356 0.615 20 0 CCADLP COc1nccnc1C[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000294912883 199244511 /nfs/dbraw/zinc/24/45/11/199244511.db2.gz AIFKZGMYKOLIRC-GFCCVEGCSA-N 2 2 280.372 0.543 20 0 CCADLP Cc1cccc(OC[C@@H](O)C[NH2+]C[C@H](O)C[NH+](C)C)c1 ZINC000567734394 358579424 /nfs/dbraw/zinc/57/94/24/358579424.db2.gz GQMKKNSKENKDCU-KBPBESRZSA-N 2 2 282.384 0.247 20 0 CCADLP C[C@@]1(C[NH3+])CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000567889635 358606845 /nfs/dbraw/zinc/60/68/45/358606845.db2.gz DQSMVLHOBRJUTF-MJBXVCDLSA-N 2 2 253.390 0.520 20 0 CCADLP C[C@@]1(C[NH3+])CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000567889635 358606846 /nfs/dbraw/zinc/60/68/46/358606846.db2.gz DQSMVLHOBRJUTF-MJBXVCDLSA-N 2 2 253.390 0.520 20 0 CCADLP C[C@H](c1nnnn1C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000567891283 358606971 /nfs/dbraw/zinc/60/69/71/358606971.db2.gz WYPHPWSIBCUHPB-VPOLOUISSA-N 2 2 250.350 0.330 20 0 CCADLP C[C@H](c1nnnn1C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000567891283 358606974 /nfs/dbraw/zinc/60/69/74/358606974.db2.gz WYPHPWSIBCUHPB-VPOLOUISSA-N 2 2 250.350 0.330 20 0 CCADLP C[C@H](c1nnnn1C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000567891281 358607372 /nfs/dbraw/zinc/60/73/72/358607372.db2.gz WYPHPWSIBCUHPB-LMLFDSFASA-N 2 2 250.350 0.330 20 0 CCADLP C[C@H](c1nnnn1C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000567891281 358607376 /nfs/dbraw/zinc/60/73/76/358607376.db2.gz WYPHPWSIBCUHPB-LMLFDSFASA-N 2 2 250.350 0.330 20 0 CCADLP C[C@@H](CC(=O)N1CC[N@H+](CCO)C[C@H]1C)n1cc[nH+]c1 ZINC000568069178 358630530 /nfs/dbraw/zinc/63/05/30/358630530.db2.gz AWHQXWFNKOZAJW-QWHCGFSZSA-N 2 2 280.372 0.359 20 0 CCADLP C[C@@H](CC(=O)N1CC[N@@H+](CCO)C[C@H]1C)n1cc[nH+]c1 ZINC000568069178 358630534 /nfs/dbraw/zinc/63/05/34/358630534.db2.gz AWHQXWFNKOZAJW-QWHCGFSZSA-N 2 2 280.372 0.359 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000567807204 358588680 /nfs/dbraw/zinc/58/86/80/358588680.db2.gz CQBRJVURIYXSJH-CYBMUJFWSA-N 2 2 278.356 0.206 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](n2cccn2)C1 ZINC000568178476 358641781 /nfs/dbraw/zinc/64/17/81/358641781.db2.gz PQCWGKAABPZDER-STQMWFEESA-N 2 2 252.362 0.443 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](n2cccn2)C1 ZINC000568178476 358641784 /nfs/dbraw/zinc/64/17/84/358641784.db2.gz PQCWGKAABPZDER-STQMWFEESA-N 2 2 252.362 0.443 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000568178476 358641786 /nfs/dbraw/zinc/64/17/86/358641786.db2.gz PQCWGKAABPZDER-STQMWFEESA-N 2 2 252.362 0.443 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000568178476 358641788 /nfs/dbraw/zinc/64/17/88/358641788.db2.gz PQCWGKAABPZDER-STQMWFEESA-N 2 2 252.362 0.443 20 0 CCADLP CC[C@H](O)CC[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000568391630 358670571 /nfs/dbraw/zinc/67/05/71/358670571.db2.gz HUDZNTGPQMAYCR-RFQIPJPRSA-N 2 2 274.405 0.207 20 0 CCADLP CC[C@H](O)CC[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000568391630 358670575 /nfs/dbraw/zinc/67/05/75/358670575.db2.gz HUDZNTGPQMAYCR-RFQIPJPRSA-N 2 2 274.405 0.207 20 0 CCADLP CCOC(C)(C)C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000568742928 358699394 /nfs/dbraw/zinc/69/93/94/358699394.db2.gz YAPYJRONFDQYIN-HZSPNIEDSA-N 2 2 288.432 0.861 20 0 CCADLP CCOC(C)(C)C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000568742928 358699398 /nfs/dbraw/zinc/69/93/98/358699398.db2.gz YAPYJRONFDQYIN-HZSPNIEDSA-N 2 2 288.432 0.861 20 0 CCADLP C[C@H](Cc1cccs1)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000568737085 358699529 /nfs/dbraw/zinc/69/95/29/358699529.db2.gz BNROXJIRZWSSGF-VXGBXAGGSA-N 2 2 296.440 0.963 20 0 CCADLP C[C@H](Cc1cccs1)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000568737085 358699534 /nfs/dbraw/zinc/69/95/34/358699534.db2.gz BNROXJIRZWSSGF-VXGBXAGGSA-N 2 2 296.440 0.963 20 0 CCADLP Cc1cccc(C)c1OCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000569241377 358748231 /nfs/dbraw/zinc/74/82/31/358748231.db2.gz XWGMYMZCLCRWQN-AWEZNQCLSA-N 2 2 291.395 0.784 20 0 CCADLP Cc1cccc(C)c1OCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000569241377 358748235 /nfs/dbraw/zinc/74/82/35/358748235.db2.gz XWGMYMZCLCRWQN-AWEZNQCLSA-N 2 2 291.395 0.784 20 0 CCADLP O[C@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)Cn1cccn1 ZINC000569333761 358753536 /nfs/dbraw/zinc/75/35/36/358753536.db2.gz TYLYQGMBGFVCTR-WDEREUQCSA-N 2 2 261.329 0.114 20 0 CCADLP O[C@H](C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1)Cn1cccn1 ZINC000569333761 358753541 /nfs/dbraw/zinc/75/35/41/358753541.db2.gz TYLYQGMBGFVCTR-WDEREUQCSA-N 2 2 261.329 0.114 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2CC[C@@H](c3nnc[nH]3)C2)n1C ZINC000568978041 358721173 /nfs/dbraw/zinc/72/11/73/358721173.db2.gz VMDGQOIZEHHQMT-SNVBAGLBSA-N 2 2 275.360 0.594 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2CC[C@@H](c3nnc[nH]3)C2)n1C ZINC000568978041 358721178 /nfs/dbraw/zinc/72/11/78/358721178.db2.gz VMDGQOIZEHHQMT-SNVBAGLBSA-N 2 2 275.360 0.594 20 0 CCADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](C[C@H]2C[C@@H](O)C2)CC1 ZINC000569017757 358727916 /nfs/dbraw/zinc/72/79/16/358727916.db2.gz PCLQENHMANKZKT-NFAWXSAZSA-N 2 2 268.401 0.942 20 0 CCADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](C[C@H]2C[C@@H](O)C2)CC1 ZINC000569017757 358727918 /nfs/dbraw/zinc/72/79/18/358727918.db2.gz PCLQENHMANKZKT-NFAWXSAZSA-N 2 2 268.401 0.942 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCN(CC(F)F)CC1 ZINC000569065522 358729972 /nfs/dbraw/zinc/72/99/72/358729972.db2.gz NJLDKTCWWLTDDS-GFCCVEGCSA-N 2 2 279.375 0.572 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCN(CC(F)F)CC1 ZINC000569065522 358729978 /nfs/dbraw/zinc/72/99/78/358729978.db2.gz NJLDKTCWWLTDDS-GFCCVEGCSA-N 2 2 279.375 0.572 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000569065522 358729981 /nfs/dbraw/zinc/72/99/81/358729981.db2.gz NJLDKTCWWLTDDS-GFCCVEGCSA-N 2 2 279.375 0.572 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCN(CC(F)F)CC1 ZINC000569065522 358729984 /nfs/dbraw/zinc/72/99/84/358729984.db2.gz NJLDKTCWWLTDDS-GFCCVEGCSA-N 2 2 279.375 0.572 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCCCS2)[C@H](C[NH3+])C1 ZINC000569558703 358773240 /nfs/dbraw/zinc/77/32/40/358773240.db2.gz IAFDJDUZDNVEMS-NEPJUHHUSA-N 2 2 286.445 0.556 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCCCS2)[C@H](C[NH3+])C1 ZINC000569558703 358773243 /nfs/dbraw/zinc/77/32/43/358773243.db2.gz IAFDJDUZDNVEMS-NEPJUHHUSA-N 2 2 286.445 0.556 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000570104629 358824601 /nfs/dbraw/zinc/82/46/01/358824601.db2.gz MRPFUBSAIXNGBQ-AAEUAGOBSA-N 2 2 265.401 0.927 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000570104629 358824604 /nfs/dbraw/zinc/82/46/04/358824604.db2.gz MRPFUBSAIXNGBQ-AAEUAGOBSA-N 2 2 265.401 0.927 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)CC[C@@H]1CCNC1=O ZINC000569775234 358791559 /nfs/dbraw/zinc/79/15/59/358791559.db2.gz IVFDQPOLWOJOLB-LBPRGKRZSA-N 2 2 250.346 0.731 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)CC[C@@H]1CCNC1=O ZINC000569775234 358791561 /nfs/dbraw/zinc/79/15/61/358791561.db2.gz IVFDQPOLWOJOLB-LBPRGKRZSA-N 2 2 250.346 0.731 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CCO1 ZINC000569930807 358806815 /nfs/dbraw/zinc/80/68/15/358806815.db2.gz MKICPPOXIAURCK-KBXIAJHMSA-N 2 2 295.427 0.744 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CCO1 ZINC000569930807 358806817 /nfs/dbraw/zinc/80/68/17/358806817.db2.gz MKICPPOXIAURCK-KBXIAJHMSA-N 2 2 295.427 0.744 20 0 CCADLP CCc1nnc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)[nH]1 ZINC000570281038 358841716 /nfs/dbraw/zinc/84/17/16/358841716.db2.gz RMOCKUSYUOOXCP-TUAOUCFPSA-N 2 2 279.388 0.614 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000570444017 358857114 /nfs/dbraw/zinc/85/71/14/358857114.db2.gz IXZKZLDIJQPVNJ-DDHJSBNISA-N 2 2 286.416 0.471 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000570444017 358857119 /nfs/dbraw/zinc/85/71/19/358857119.db2.gz IXZKZLDIJQPVNJ-DDHJSBNISA-N 2 2 286.416 0.471 20 0 CCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C[NH+]1CC(C)(C)C1 ZINC000570582473 358873845 /nfs/dbraw/zinc/87/38/45/358873845.db2.gz XAABOTCZGQUQDK-UHFFFAOYSA-N 2 2 297.443 0.897 20 0 CCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C[NH+]1CC(C)(C)C1 ZINC000570582473 358873847 /nfs/dbraw/zinc/87/38/47/358873847.db2.gz XAABOTCZGQUQDK-UHFFFAOYSA-N 2 2 297.443 0.897 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000570628082 358875658 /nfs/dbraw/zinc/87/56/58/358875658.db2.gz IVTAQDZTBLAIRS-NWDGAFQWSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000570628082 358875662 /nfs/dbraw/zinc/87/56/62/358875662.db2.gz IVTAQDZTBLAIRS-NWDGAFQWSA-N 2 2 269.389 0.211 20 0 CCADLP O=C(NC1CC[NH2+]CC1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000570681271 358884024 /nfs/dbraw/zinc/88/40/24/358884024.db2.gz KWIYRGDPUFKWBW-AWEZNQCLSA-N 2 2 281.400 0.498 20 0 CCADLP O=C(NC1CC[NH2+]CC1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000570681271 358884026 /nfs/dbraw/zinc/88/40/26/358884026.db2.gz KWIYRGDPUFKWBW-AWEZNQCLSA-N 2 2 281.400 0.498 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])c2cscn2)C[N@@H+]1C1CC1 ZINC000570716878 358888436 /nfs/dbraw/zinc/88/84/36/358888436.db2.gz XHZGSPCLXRARFZ-PTRXPTGYSA-N 2 2 280.397 0.884 20 0 CCADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CC(C)(C)O)CC1 ZINC000570763387 358891331 /nfs/dbraw/zinc/89/13/31/358891331.db2.gz LUPZRIKEPRTFCJ-GFCCVEGCSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CC(C)(C)O)CC1 ZINC000570763387 358891335 /nfs/dbraw/zinc/89/13/35/358891335.db2.gz LUPZRIKEPRTFCJ-GFCCVEGCSA-N 2 2 256.390 0.942 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](CNc2cc(NC[C@H](C)O)[nH+]cn2)C1 ZINC000573456895 358969935 /nfs/dbraw/zinc/96/99/35/358969935.db2.gz SVZKZSFYVCKTEY-STQMWFEESA-N 2 2 293.415 0.833 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](CNc2cc(NC[C@H](C)O)[nH+]cn2)C1 ZINC000573456895 358969938 /nfs/dbraw/zinc/96/99/38/358969938.db2.gz SVZKZSFYVCKTEY-STQMWFEESA-N 2 2 293.415 0.833 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](CNc2cc(NC[C@H](C)O)nc[nH+]2)C1 ZINC000573456895 358969941 /nfs/dbraw/zinc/96/99/41/358969941.db2.gz SVZKZSFYVCKTEY-STQMWFEESA-N 2 2 293.415 0.833 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](CNc2cc(NC[C@H](C)O)nc[nH+]2)C1 ZINC000573456895 358969944 /nfs/dbraw/zinc/96/99/44/358969944.db2.gz SVZKZSFYVCKTEY-STQMWFEESA-N 2 2 293.415 0.833 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@H]2CCCNC2=O)C1 ZINC000573503069 358973745 /nfs/dbraw/zinc/97/37/45/358973745.db2.gz MNDIWWFNKPPQAO-VXGBXAGGSA-N 2 2 262.357 0.736 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@H]2CCCNC2=O)C1 ZINC000573503069 358973748 /nfs/dbraw/zinc/97/37/48/358973748.db2.gz MNDIWWFNKPPQAO-VXGBXAGGSA-N 2 2 262.357 0.736 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000573502938 358974070 /nfs/dbraw/zinc/97/40/70/358974070.db2.gz JRKJLHOAJUVFQP-HNNXBMFYSA-N 2 2 297.443 0.633 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000573502938 358974074 /nfs/dbraw/zinc/97/40/74/358974074.db2.gz JRKJLHOAJUVFQP-HNNXBMFYSA-N 2 2 297.443 0.633 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCOC[C@H]1C1CCC1 ZINC000574050906 359023518 /nfs/dbraw/zinc/02/35/18/359023518.db2.gz MSQKYIINBBPZKP-GJZGRUSLSA-N 2 2 286.416 0.426 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCOC[C@H]1C1CCC1 ZINC000574050906 359023521 /nfs/dbraw/zinc/02/35/21/359023521.db2.gz MSQKYIINBBPZKP-GJZGRUSLSA-N 2 2 286.416 0.426 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000574050906 359023527 /nfs/dbraw/zinc/02/35/27/359023527.db2.gz MSQKYIINBBPZKP-GJZGRUSLSA-N 2 2 286.416 0.426 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000574050906 359023530 /nfs/dbraw/zinc/02/35/30/359023530.db2.gz MSQKYIINBBPZKP-GJZGRUSLSA-N 2 2 286.416 0.426 20 0 CCADLP CO[C@H]1CCCC[C@@H]1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000574059964 359025385 /nfs/dbraw/zinc/02/53/85/359025385.db2.gz HTNQVNBQRQCASH-AGIUHOORSA-N 2 2 284.404 0.228 20 0 CCADLP CO[C@H]1CCCC[C@@H]1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000574059964 359025387 /nfs/dbraw/zinc/02/53/87/359025387.db2.gz HTNQVNBQRQCASH-AGIUHOORSA-N 2 2 284.404 0.228 20 0 CCADLP C[C@H](Cc1ccsc1)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000562803278 291168142 /nfs/dbraw/zinc/16/81/42/291168142.db2.gz QMSCMZGGOVSCGS-DGCLKSJQSA-N 2 2 296.440 0.963 20 0 CCADLP C[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C(C)(C)C[NH+](C)C ZINC000562810352 291168559 /nfs/dbraw/zinc/16/85/59/291168559.db2.gz ODENHVDVWPXLDR-CHWSQXEVSA-N 3 2 299.463 0.247 20 0 CCADLP C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C(C)(C)C[NH+](C)C ZINC000562810352 291168561 /nfs/dbraw/zinc/16/85/61/291168561.db2.gz ODENHVDVWPXLDR-CHWSQXEVSA-N 3 2 299.463 0.247 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2CC[C@H](F)C2)C[C@H](C)O1 ZINC000573678357 358989357 /nfs/dbraw/zinc/98/93/57/358989357.db2.gz WVZHYYRAFGZYHP-MEBFFEOJSA-N 2 2 274.380 0.937 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2CC[C@H](F)C2)C[C@H](C)O1 ZINC000573678357 358989362 /nfs/dbraw/zinc/98/93/62/358989362.db2.gz WVZHYYRAFGZYHP-MEBFFEOJSA-N 2 2 274.380 0.937 20 0 CCADLP CC[NH2+]CCCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000562796887 291167679 /nfs/dbraw/zinc/16/76/79/291167679.db2.gz PSLWNOGZIPASMY-UHFFFAOYSA-N 2 2 286.420 0.396 20 0 CCADLP CC[NH2+]CCCNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000562796887 291167680 /nfs/dbraw/zinc/16/76/80/291167680.db2.gz PSLWNOGZIPASMY-UHFFFAOYSA-N 2 2 286.420 0.396 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CO1 ZINC000580193592 359080590 /nfs/dbraw/zinc/08/05/90/359080590.db2.gz KJUYORHYYQAIQK-GOEBONIOSA-N 2 2 297.443 0.550 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CO1 ZINC000580193592 359080594 /nfs/dbraw/zinc/08/05/94/359080594.db2.gz KJUYORHYYQAIQK-GOEBONIOSA-N 2 2 297.443 0.550 20 0 CCADLP C[C@@H]1CCC[C@@H]1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000580882068 359103554 /nfs/dbraw/zinc/10/35/54/359103554.db2.gz AWFGUIIHIKVMFA-UTUOFQBUSA-N 2 2 254.378 0.459 20 0 CCADLP C[C@@H]1CCC[C@@H]1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000580882068 359103557 /nfs/dbraw/zinc/10/35/57/359103557.db2.gz AWFGUIIHIKVMFA-UTUOFQBUSA-N 2 2 254.378 0.459 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC2CC(C)(F)C2)[C@H](C[NH3+])C1 ZINC000562818919 291169762 /nfs/dbraw/zinc/16/97/62/291169762.db2.gz ZAKHZMAFIGTAPV-SQLBVSGCSA-N 2 2 258.341 0.161 20 0 CCADLP CNC(=O)Cc1nc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cs1 ZINC000584616268 359181343 /nfs/dbraw/zinc/18/13/43/359181343.db2.gz IUVIHLGTFRKGFS-GHMZBOCLSA-N 2 2 296.440 0.848 20 0 CCADLP CNC(=O)Cc1nc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cs1 ZINC000584616268 359181344 /nfs/dbraw/zinc/18/13/44/359181344.db2.gz IUVIHLGTFRKGFS-GHMZBOCLSA-N 2 2 296.440 0.848 20 0 CCADLP C[C@]1(F)C[NH2+]CCN(c2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000582291694 359130620 /nfs/dbraw/zinc/13/06/20/359130620.db2.gz QJNDRRNVJXQKPQ-AWEZNQCLSA-N 2 2 295.362 0.451 20 0 CCADLP CO[C@@H]1C[C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1(C)C ZINC000582350170 359136361 /nfs/dbraw/zinc/13/63/61/359136361.db2.gz SOAMXQVLKUHUBL-SDDRHHMPSA-N 2 2 284.404 0.084 20 0 CCADLP CO[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1(C)C ZINC000582350170 359136368 /nfs/dbraw/zinc/13/63/68/359136368.db2.gz SOAMXQVLKUHUBL-SDDRHHMPSA-N 2 2 284.404 0.084 20 0 CCADLP [NH3+]CCCCC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000584717569 359193964 /nfs/dbraw/zinc/19/39/64/359193964.db2.gz HZJNGQGITMDUEE-UHFFFAOYSA-N 2 2 292.383 0.663 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2nccn2C)C1 ZINC000584789053 359208491 /nfs/dbraw/zinc/20/84/91/359208491.db2.gz VLOMJFYNKKOMJI-ZIAGYGMSSA-N 2 2 296.415 0.149 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2nccn2C)C1 ZINC000584789053 359208498 /nfs/dbraw/zinc/20/84/98/359208498.db2.gz VLOMJFYNKKOMJI-ZIAGYGMSSA-N 2 2 296.415 0.149 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000584789053 359208501 /nfs/dbraw/zinc/20/85/01/359208501.db2.gz VLOMJFYNKKOMJI-ZIAGYGMSSA-N 2 2 296.415 0.149 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000584789053 359208509 /nfs/dbraw/zinc/20/85/09/359208509.db2.gz VLOMJFYNKKOMJI-ZIAGYGMSSA-N 2 2 296.415 0.149 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000584847595 359218870 /nfs/dbraw/zinc/21/88/70/359218870.db2.gz SBRLARPOYNVIKC-NSHDSACASA-N 2 2 296.358 0.018 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000584847595 359218872 /nfs/dbraw/zinc/21/88/72/359218872.db2.gz SBRLARPOYNVIKC-NSHDSACASA-N 2 2 296.358 0.018 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCN(C(=O)C2CC2)CC1 ZINC000584877536 359222164 /nfs/dbraw/zinc/22/21/64/359222164.db2.gz VSRIHRLPZJFOLI-AWEZNQCLSA-N 2 2 283.416 0.243 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCN(C(=O)C2CC2)CC1 ZINC000584877536 359222169 /nfs/dbraw/zinc/22/21/69/359222169.db2.gz VSRIHRLPZJFOLI-AWEZNQCLSA-N 2 2 283.416 0.243 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000584877536 359222173 /nfs/dbraw/zinc/22/21/73/359222173.db2.gz VSRIHRLPZJFOLI-AWEZNQCLSA-N 2 2 283.416 0.243 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000584877536 359222177 /nfs/dbraw/zinc/22/21/77/359222177.db2.gz VSRIHRLPZJFOLI-AWEZNQCLSA-N 2 2 283.416 0.243 20 0 CCADLP CSCCC[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000562995742 291179747 /nfs/dbraw/zinc/17/97/47/291179747.db2.gz MHWXNKBVHZJFCI-FRRDWIJNSA-N 2 2 276.446 0.799 20 0 CCADLP CSCCC[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000562995742 291179749 /nfs/dbraw/zinc/17/97/49/291179749.db2.gz MHWXNKBVHZJFCI-FRRDWIJNSA-N 2 2 276.446 0.799 20 0 CCADLP C[C@H](O)[C@H](C)[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000563012269 291181688 /nfs/dbraw/zinc/18/16/88/291181688.db2.gz VTXSGKINEGUNFU-SRVKXCTJSA-N 2 2 280.372 0.270 20 0 CCADLP [NH3+]C[C@H](NC(=O)NCCCn1cc[nH+]c1)C(F)(F)F ZINC000655910029 412686867 /nfs/dbraw/zinc/68/68/67/412686867.db2.gz KNEGKZDVMCOGAQ-QMMMGPOBSA-N 2 2 279.266 0.462 20 0 CCADLP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000563077509 291188661 /nfs/dbraw/zinc/18/86/61/291188661.db2.gz HYMAGGBMOQOFBA-IHRRRGAJSA-N 2 2 281.400 0.308 20 0 CCADLP COCC1(C(=O)N(C)CCCn2cc[nH+]c2)CC[NH2+]CC1 ZINC000563090823 291191061 /nfs/dbraw/zinc/19/10/61/291191061.db2.gz WRHCXFAKVHXOBD-UHFFFAOYSA-N 2 2 294.399 0.748 20 0 CCADLP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]([NH3+])c1cscn1 ZINC000563096688 291192292 /nfs/dbraw/zinc/19/22/92/291192292.db2.gz HJCPCZHQPCCIGZ-LLVKDONJSA-N 2 2 268.386 0.696 20 0 CCADLP CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]([NH3+])c1cscn1 ZINC000563096688 291192294 /nfs/dbraw/zinc/19/22/94/291192294.db2.gz HJCPCZHQPCCIGZ-LLVKDONJSA-N 2 2 268.386 0.696 20 0 CCADLP COC(=O)[C@H]1C[C@@H](O)C[N@H+](CCCn2cc[nH+]c2)C1 ZINC000592193222 359782321 /nfs/dbraw/zinc/78/23/21/359782321.db2.gz DOIULZKXXGKJPN-NWDGAFQWSA-N 2 2 267.329 0.129 20 0 CCADLP COC(=O)[C@H]1C[C@@H](O)C[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000592193222 359782325 /nfs/dbraw/zinc/78/23/25/359782325.db2.gz DOIULZKXXGKJPN-NWDGAFQWSA-N 2 2 267.329 0.129 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000592209845 359798092 /nfs/dbraw/zinc/79/80/92/359798092.db2.gz YEMOWOQTRPVGGD-ZIAGYGMSSA-N 2 2 284.400 0.718 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000592209845 359798095 /nfs/dbraw/zinc/79/80/95/359798095.db2.gz YEMOWOQTRPVGGD-ZIAGYGMSSA-N 2 2 284.400 0.718 20 0 CCADLP Cc1cn2ccc(NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)cc2[nH+]1 ZINC000620650358 366556124 /nfs/dbraw/zinc/55/61/24/366556124.db2.gz UDYCBSJYZCZJIJ-CQSZACIVSA-N 2 2 299.378 0.971 20 0 CCADLP Cc1cn2ccc(NC(=O)[C@H]3C[N@H+]4CCN3CCC4)cc2[nH+]1 ZINC000620650358 366556125 /nfs/dbraw/zinc/55/61/25/366556125.db2.gz UDYCBSJYZCZJIJ-CQSZACIVSA-N 2 2 299.378 0.971 20 0 CCADLP O=C1NC(=O)N2CC[N@H+](Cc3c[nH+]c4ccccn34)C[C@@H]12 ZINC000329423233 202331198 /nfs/dbraw/zinc/33/11/98/202331198.db2.gz HTLCLUXPERKGKM-NSHDSACASA-N 2 2 285.307 0.911 20 0 CCADLP O=C1NC(=O)N2CC[N@@H+](Cc3c[nH+]c4ccccn34)C[C@@H]12 ZINC000329423233 202331201 /nfs/dbraw/zinc/33/12/01/202331201.db2.gz HTLCLUXPERKGKM-NSHDSACASA-N 2 2 285.307 0.911 20 0 CCADLP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000592479404 359850694 /nfs/dbraw/zinc/85/06/94/359850694.db2.gz XAZIJTATSVULDY-QWHCGFSZSA-N 2 2 297.399 0.130 20 0 CCADLP COC(=O)CCNC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000592479404 359850701 /nfs/dbraw/zinc/85/07/01/359850701.db2.gz XAZIJTATSVULDY-QWHCGFSZSA-N 2 2 297.399 0.130 20 0 CCADLP C[C@H]([NH2+]Cc1nnnn1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329459137 202346750 /nfs/dbraw/zinc/34/67/50/202346750.db2.gz RIRONDYCCHQHPJ-NWDGAFQWSA-N 2 2 278.404 0.953 20 0 CCADLP C[C@H]([NH2+]Cc1nnnn1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000329459137 202346753 /nfs/dbraw/zinc/34/67/53/202346753.db2.gz RIRONDYCCHQHPJ-NWDGAFQWSA-N 2 2 278.404 0.953 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNc2cc[nH+]cc2C(=O)[O-])CC1 ZINC000563205352 291205489 /nfs/dbraw/zinc/20/54/89/291205489.db2.gz VCCFIIMPBBMFEC-UHFFFAOYSA-N 2 2 292.383 0.640 20 0 CCADLP COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000592530739 359871993 /nfs/dbraw/zinc/87/19/93/359871993.db2.gz GKYWRZFUATUDDC-AAEUAGOBSA-N 2 2 289.335 0.690 20 0 CCADLP COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000592530739 359871998 /nfs/dbraw/zinc/87/19/98/359871998.db2.gz GKYWRZFUATUDDC-AAEUAGOBSA-N 2 2 289.335 0.690 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000620977479 366612298 /nfs/dbraw/zinc/61/22/98/366612298.db2.gz XXVUTHSFMYGNAJ-CYBMUJFWSA-N 2 2 294.399 0.830 20 0 CCADLP CC(C)[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[NH2+]1 ZINC000621157274 366658076 /nfs/dbraw/zinc/65/80/76/366658076.db2.gz SHONJBICZQCIOD-GFCCVEGCSA-N 2 2 250.346 0.799 20 0 CCADLP CC(C)[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[NH2+]1 ZINC000621157274 366658079 /nfs/dbraw/zinc/65/80/79/366658079.db2.gz SHONJBICZQCIOD-GFCCVEGCSA-N 2 2 250.346 0.799 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[NH2+]1 ZINC000621156364 366658093 /nfs/dbraw/zinc/65/80/93/366658093.db2.gz ZCCOJZWQGYYFAK-OLZOCXBDSA-N 2 2 276.384 0.902 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000070252843 296008706 /nfs/dbraw/zinc/00/87/06/296008706.db2.gz OBZKIXDFNNINNA-RYUDHWBXSA-N 2 2 262.357 0.778 20 0 CCADLP CC(C)OC(=O)CC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593053135 360021087 /nfs/dbraw/zinc/02/10/87/360021087.db2.gz XPEUSMXYGLNDOR-UHFFFAOYSA-N 2 2 285.388 0.034 20 0 CCADLP CC(C)OC(=O)CC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593053135 360021094 /nfs/dbraw/zinc/02/10/94/360021094.db2.gz XPEUSMXYGLNDOR-UHFFFAOYSA-N 2 2 285.388 0.034 20 0 CCADLP COC(=O)CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C(C)C ZINC000593906489 360202935 /nfs/dbraw/zinc/20/29/35/360202935.db2.gz IDFCHLNEIFTMME-NSHDSACASA-N 2 2 273.377 0.066 20 0 CCADLP CCOC(=O)C1(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)CCC1 ZINC000593909172 360205636 /nfs/dbraw/zinc/20/56/36/360205636.db2.gz HRBUCXIVADHQFB-NSHDSACASA-N 2 2 285.388 0.115 20 0 CCADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)CC)[C@@H]1SC ZINC000594014944 360234098 /nfs/dbraw/zinc/23/40/98/360234098.db2.gz CMHQQFYNVBWEEY-LPWJVIDDSA-N 2 2 276.446 0.798 20 0 CCADLP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)CC)[C@@H]1SC ZINC000594014944 360234105 /nfs/dbraw/zinc/23/41/05/360234105.db2.gz CMHQQFYNVBWEEY-LPWJVIDDSA-N 2 2 276.446 0.798 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000563395051 291222712 /nfs/dbraw/zinc/22/27/12/291222712.db2.gz OZVFRLHRNDIGKP-NWDGAFQWSA-N 2 2 262.357 0.956 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000563395051 291222715 /nfs/dbraw/zinc/22/27/15/291222715.db2.gz OZVFRLHRNDIGKP-NWDGAFQWSA-N 2 2 262.357 0.956 20 0 CCADLP COc1cccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1F ZINC000594738110 360371423 /nfs/dbraw/zinc/37/14/23/360371423.db2.gz HRVYIFBLIBENOK-NEPJUHHUSA-N 2 2 293.342 0.578 20 0 CCADLP COc1cccc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1F ZINC000594738110 360371425 /nfs/dbraw/zinc/37/14/25/360371425.db2.gz HRVYIFBLIBENOK-NEPJUHHUSA-N 2 2 293.342 0.578 20 0 CCADLP CC[N@@H+]1CCC[C@@H]([NH2+]C[C@@H]2CNc3ccnn3C2)C1 ZINC000595146429 360443721 /nfs/dbraw/zinc/44/37/21/360443721.db2.gz FCCRRQSTFYTNHK-CHWSQXEVSA-N 2 2 263.389 0.999 20 0 CCADLP CC[N@H+]1CCC[C@@H]([NH2+]C[C@@H]2CNc3ccnn3C2)C1 ZINC000595146429 360443725 /nfs/dbraw/zinc/44/37/25/360443725.db2.gz FCCRRQSTFYTNHK-CHWSQXEVSA-N 2 2 263.389 0.999 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H]1C[C@@H]1C(=O)OC ZINC000594927024 360417674 /nfs/dbraw/zinc/41/76/74/360417674.db2.gz QVOLWCLLQYYKTE-SYQHCUMBSA-N 2 2 284.400 0.884 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)[C@H]1C[C@@H]1C(=O)OC ZINC000594927024 360417680 /nfs/dbraw/zinc/41/76/80/360417680.db2.gz QVOLWCLLQYYKTE-SYQHCUMBSA-N 2 2 284.400 0.884 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1)[C@@H]1CCCC[NH2+]1 ZINC000423019229 299310806 /nfs/dbraw/zinc/31/08/06/299310806.db2.gz UTHBXZYBCVRSEL-XDQVBPFNSA-N 2 2 283.416 0.742 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595507482 360554652 /nfs/dbraw/zinc/55/46/52/360554652.db2.gz OJWBBGYTGQEZJN-SMDDNHRTSA-N 2 2 282.388 0.248 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595507482 360554654 /nfs/dbraw/zinc/55/46/54/360554654.db2.gz OJWBBGYTGQEZJN-SMDDNHRTSA-N 2 2 282.388 0.248 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595507482 360554656 /nfs/dbraw/zinc/55/46/56/360554656.db2.gz OJWBBGYTGQEZJN-SMDDNHRTSA-N 2 2 282.388 0.248 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595507482 360554659 /nfs/dbraw/zinc/55/46/59/360554659.db2.gz OJWBBGYTGQEZJN-SMDDNHRTSA-N 2 2 282.388 0.248 20 0 CCADLP COC(=O)[C@](C)(CO)[NH2+]CCCCn1cc[nH+]c1C ZINC000595531958 360567464 /nfs/dbraw/zinc/56/74/64/360567464.db2.gz MXZJUXHFROWTND-ZDUSSCGKSA-N 2 2 269.345 0.485 20 0 CCADLP COC(=O)CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595865170 360684878 /nfs/dbraw/zinc/68/48/78/360684878.db2.gz GGAHZJOMQSLHAD-LBPRGKRZSA-N 2 2 256.346 0.081 20 0 CCADLP COC(=O)CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595865170 360684880 /nfs/dbraw/zinc/68/48/80/360684880.db2.gz GGAHZJOMQSLHAD-LBPRGKRZSA-N 2 2 256.346 0.081 20 0 CCADLP COC(=O)[C@H]1CC12CC[NH+](C[C@@H]1C[NH2+]CCO1)CC2 ZINC000595890359 360691149 /nfs/dbraw/zinc/69/11/49/360691149.db2.gz CSZJDBPNAFYCSD-NWDGAFQWSA-N 2 2 268.357 0.250 20 0 CCADLP C[NH+](C)C1(CS(=O)(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000631783967 370670132 /nfs/dbraw/zinc/67/01/32/370670132.db2.gz JNXSCHOACMHTGB-NSHDSACASA-N 2 2 275.418 0.094 20 0 CCADLP C[NH+](C)C1(CS(=O)(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000631783967 370670136 /nfs/dbraw/zinc/67/01/36/370670136.db2.gz JNXSCHOACMHTGB-NSHDSACASA-N 2 2 275.418 0.094 20 0 CCADLP CN1CCC[C@@H]([NH+]2CCN(c3[nH]cc[nH+]3)CC2)C1=O ZINC000563545059 291237252 /nfs/dbraw/zinc/23/72/52/291237252.db2.gz HLEDODOUXXXXIZ-LLVKDONJSA-N 2 2 263.345 0.153 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)c1ccc(C[NH3+])cc1 ZINC000178763459 189144016 /nfs/dbraw/zinc/14/40/16/189144016.db2.gz VBDZBXWLTNFCSL-UHFFFAOYSA-N 2 2 291.395 0.986 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)c1ccc(C[NH3+])cc1 ZINC000178763459 189144017 /nfs/dbraw/zinc/14/40/17/189144017.db2.gz VBDZBXWLTNFCSL-UHFFFAOYSA-N 2 2 291.395 0.986 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000563537026 291236436 /nfs/dbraw/zinc/23/64/36/291236436.db2.gz FSMFRRYSUIBLOO-LBPRGKRZSA-N 2 2 273.340 0.767 20 0 CCADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@H](C)[NH3+])CC1 ZINC000178887009 189152407 /nfs/dbraw/zinc/15/24/07/189152407.db2.gz GMWSZCIBZJEXHN-JTQLQIEISA-N 2 2 279.388 0.028 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)[C@H]3CC[NH2+]C3)cn21 ZINC000178786985 189145863 /nfs/dbraw/zinc/14/58/63/189145863.db2.gz FDWBIYSSVIXTAM-NSHDSACASA-N 2 2 258.325 0.868 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC(C)(C)C(C)(C)O)[C@@H](C[NH3+])C1 ZINC000563605813 291241221 /nfs/dbraw/zinc/24/12/21/291241221.db2.gz HLKKHPQEMDZFBP-NSHDSACASA-N 2 2 286.420 0.068 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC(C)(C)C(C)(C)O)[C@@H](C[NH3+])C1 ZINC000563605813 291241222 /nfs/dbraw/zinc/24/12/22/291241222.db2.gz HLKKHPQEMDZFBP-NSHDSACASA-N 2 2 286.420 0.068 20 0 CCADLP C[C@H](CNC(=O)/C=C/c1[nH]cc[nH+]1)N1CC[NH+](C)CC1 ZINC000493613632 238244450 /nfs/dbraw/zinc/24/44/50/238244450.db2.gz PDJAAIREAOFZOK-AAOUONPWSA-N 2 2 277.372 0.175 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000417513358 296025172 /nfs/dbraw/zinc/02/51/72/296025172.db2.gz XSLIEOVCPJDXLU-CHWSQXEVSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000417513358 296025173 /nfs/dbraw/zinc/02/51/73/296025173.db2.gz XSLIEOVCPJDXLU-CHWSQXEVSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000417422028 296026277 /nfs/dbraw/zinc/02/62/77/296026277.db2.gz JZWFTKXJKXIHMY-MNOVXSKESA-N 2 2 272.393 0.132 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000417422028 296026278 /nfs/dbraw/zinc/02/62/78/296026278.db2.gz JZWFTKXJKXIHMY-MNOVXSKESA-N 2 2 272.393 0.132 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N(C)CC(F)(F)F)C1 ZINC000351848613 296029117 /nfs/dbraw/zinc/02/91/17/296029117.db2.gz DMKAPPKVVQPZBS-BDAKNGLRSA-N 2 2 267.295 0.676 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N(C)CC(F)(F)F)C1 ZINC000351848613 296029118 /nfs/dbraw/zinc/02/91/18/296029118.db2.gz DMKAPPKVVQPZBS-BDAKNGLRSA-N 2 2 267.295 0.676 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000563806358 291251068 /nfs/dbraw/zinc/25/10/68/291251068.db2.gz SBFMGTLMWNQWMC-HOTGVXAUSA-N 2 2 295.402 0.565 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000563806358 291251069 /nfs/dbraw/zinc/25/10/69/291251069.db2.gz SBFMGTLMWNQWMC-HOTGVXAUSA-N 2 2 295.402 0.565 20 0 CCADLP C(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)N1CC[NH2+]CC1 ZINC000563811569 291251828 /nfs/dbraw/zinc/25/18/28/291251828.db2.gz BJAKPZKTFPECBB-DOTOQJQBSA-N 3 2 292.471 0.840 20 0 CCADLP C(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)N1CC[NH2+]CC1 ZINC000563811569 291251830 /nfs/dbraw/zinc/25/18/30/291251830.db2.gz BJAKPZKTFPECBB-DOTOQJQBSA-N 3 2 292.471 0.840 20 0 CCADLP C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CC[NH2+]CC1 ZINC000563811569 291251831 /nfs/dbraw/zinc/25/18/31/291251831.db2.gz BJAKPZKTFPECBB-DOTOQJQBSA-N 3 2 292.471 0.840 20 0 CCADLP C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CC[NH2+]CC1 ZINC000563811569 291251833 /nfs/dbraw/zinc/25/18/33/291251833.db2.gz BJAKPZKTFPECBB-DOTOQJQBSA-N 3 2 292.471 0.840 20 0 CCADLP CCC[NH+]1CCC([N@H+](C)CCS(=O)(=O)NC)CC1 ZINC000621261373 366686782 /nfs/dbraw/zinc/68/67/82/366686782.db2.gz NYXGNEOAQYDSKU-UHFFFAOYSA-N 2 2 277.434 0.342 20 0 CCADLP CCC[NH+]1CCC([N@@H+](C)CCS(=O)(=O)NC)CC1 ZINC000621261373 366686791 /nfs/dbraw/zinc/68/67/91/366686791.db2.gz NYXGNEOAQYDSKU-UHFFFAOYSA-N 2 2 277.434 0.342 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCOc3ccccc3F)CCN2C1=O ZINC000563899163 291258011 /nfs/dbraw/zinc/25/80/11/291258011.db2.gz QREQYFKQCYMJNC-DGCLKSJQSA-N 2 2 293.342 0.448 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCOc3ccccc3F)CCN2C1=O ZINC000563899163 291258013 /nfs/dbraw/zinc/25/80/13/291258013.db2.gz QREQYFKQCYMJNC-DGCLKSJQSA-N 2 2 293.342 0.448 20 0 CCADLP CC1([NH3+])CC[NH+]([C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000631824858 370691880 /nfs/dbraw/zinc/69/18/80/370691880.db2.gz SJXVOKQFEQHDHF-GFCCVEGCSA-N 2 2 251.374 0.953 20 0 CCADLP O=C1[C@H]([NH+]2CCC3(CC[NH2+]3)CC2)CCN1C1CCC1 ZINC000631828154 370694836 /nfs/dbraw/zinc/69/48/36/370694836.db2.gz GVVJDPKEILMZPU-CYBMUJFWSA-N 2 2 263.385 0.968 20 0 CCADLP CCCn1nccc1NC(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000631823280 370688054 /nfs/dbraw/zinc/68/80/54/370688054.db2.gz AHEUXRJNOTZNPS-RYUDHWBXSA-N 2 2 279.388 0.901 20 0 CCADLP CCCn1nccc1NC(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000631823280 370688061 /nfs/dbraw/zinc/68/80/61/370688061.db2.gz AHEUXRJNOTZNPS-RYUDHWBXSA-N 2 2 279.388 0.901 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC(C)(CCOC)C1 ZINC000564099165 291266697 /nfs/dbraw/zinc/26/66/97/291266697.db2.gz GOOKJLDUYDTVNX-ZDUSSCGKSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC(C)(CCOC)C1 ZINC000564099165 291266698 /nfs/dbraw/zinc/26/66/98/291266698.db2.gz GOOKJLDUYDTVNX-ZDUSSCGKSA-N 2 2 274.405 0.284 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@@H](CO)C2)CC1 ZINC000621362815 366749353 /nfs/dbraw/zinc/74/93/53/366749353.db2.gz AISLFHDPEUMING-SOUVJXGZSA-N 2 2 297.443 0.489 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](CO)C2)CC1 ZINC000621362815 366749352 /nfs/dbraw/zinc/74/93/52/366749352.db2.gz AISLFHDPEUMING-SOUVJXGZSA-N 2 2 297.443 0.489 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC(C)(C)CC[C@@H]1CO ZINC000621381107 366758356 /nfs/dbraw/zinc/75/83/56/366758356.db2.gz LLEYUKIHMXGSAX-CHWSQXEVSA-N 2 2 258.406 0.782 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC(C)(C)CC[C@@H]1CO ZINC000621381107 366758358 /nfs/dbraw/zinc/75/83/58/366758358.db2.gz LLEYUKIHMXGSAX-CHWSQXEVSA-N 2 2 258.406 0.782 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC(C)(C)CC[C@@H]1CO ZINC000621381107 366758365 /nfs/dbraw/zinc/75/83/65/366758365.db2.gz LLEYUKIHMXGSAX-CHWSQXEVSA-N 2 2 258.406 0.782 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC(C)(C)CC[C@@H]1CO ZINC000621381107 366758371 /nfs/dbraw/zinc/75/83/71/366758371.db2.gz LLEYUKIHMXGSAX-CHWSQXEVSA-N 2 2 258.406 0.782 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O)C1CC1 ZINC000564390273 291277432 /nfs/dbraw/zinc/27/74/32/291277432.db2.gz KWVWMAFIOGMFOD-DOERSZECSA-N 2 2 281.400 0.027 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O)C1CC1 ZINC000564390273 291277434 /nfs/dbraw/zinc/27/74/34/291277434.db2.gz KWVWMAFIOGMFOD-DOERSZECSA-N 2 2 281.400 0.027 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O)C1CC1 ZINC000564390273 291277435 /nfs/dbraw/zinc/27/74/35/291277435.db2.gz KWVWMAFIOGMFOD-DOERSZECSA-N 2 2 281.400 0.027 20 0 CCADLP COC(=O)CCNC(=O)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000599009793 361554278 /nfs/dbraw/zinc/55/42/78/361554278.db2.gz ZAXLJIBNOKRJRL-VXGBXAGGSA-N 2 2 297.399 0.271 20 0 CCADLP COC(=O)CCNC(=O)CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000599009793 361554282 /nfs/dbraw/zinc/55/42/82/361554282.db2.gz ZAXLJIBNOKRJRL-VXGBXAGGSA-N 2 2 297.399 0.271 20 0 CCADLP FC(F)[C@H]1C[NH2+]CCN1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000564452147 291280321 /nfs/dbraw/zinc/28/03/21/291280321.db2.gz BRCGNAHPBOCSMB-GRYCIOLGSA-N 2 2 275.343 0.389 20 0 CCADLP FC(F)[C@H]1C[NH2+]CCN1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000564452147 291280324 /nfs/dbraw/zinc/28/03/24/291280324.db2.gz BRCGNAHPBOCSMB-GRYCIOLGSA-N 2 2 275.343 0.389 20 0 CCADLP COC(=O)CCCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000599300585 361641042 /nfs/dbraw/zinc/64/10/42/361641042.db2.gz SYESZUBCQSTNHD-AWEZNQCLSA-N 2 2 284.400 0.984 20 0 CCADLP COC(=O)CCCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000599300585 361641045 /nfs/dbraw/zinc/64/10/45/361641045.db2.gz SYESZUBCQSTNHD-AWEZNQCLSA-N 2 2 284.400 0.984 20 0 CCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000564585796 291287802 /nfs/dbraw/zinc/28/78/02/291287802.db2.gz OCRQMWPEWUBLBM-LBPRGKRZSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000564585796 291287805 /nfs/dbraw/zinc/28/78/05/291287805.db2.gz OCRQMWPEWUBLBM-LBPRGKRZSA-N 2 2 253.390 0.881 20 0 CCADLP CSC[C@@H](O)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000599472155 361713373 /nfs/dbraw/zinc/71/33/73/361713373.db2.gz APXCISUYCQAFTN-ZDUSSCGKSA-N 2 2 274.430 0.507 20 0 CCADLP CC(=O)[C@H](NC(=O)C[NH2+][C@](C)(C[NH3+])C1CC1)C(C)C ZINC000564656954 291291838 /nfs/dbraw/zinc/29/18/38/291291838.db2.gz OVJMPYHXUICWCX-ZIAGYGMSSA-N 2 2 269.389 0.433 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1c[nH+]ccc1N ZINC000564662211 291292348 /nfs/dbraw/zinc/29/23/48/291292348.db2.gz VPWHIIJALFBOHB-NXEZZACHSA-N 2 2 284.385 0.179 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612868554 364026096 /nfs/dbraw/zinc/02/60/96/364026096.db2.gz YHPGVGZWQRNQDP-AWEZNQCLSA-N 2 2 277.372 0.699 20 0 CCADLP O=C(N[C@H]1CC12CC[NH2+]CC2)N[C@H]1CCn2cc[nH+]c2C1 ZINC000612982407 364067928 /nfs/dbraw/zinc/06/79/28/364067928.db2.gz JJHIMZIBUNHGKO-RYUDHWBXSA-N 2 2 289.383 0.639 20 0 CCADLP [NH3+][C@@H]1CCCCC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC000631832870 370699115 /nfs/dbraw/zinc/69/91/15/370699115.db2.gz OTECAWQQEUXHRJ-LLVKDONJSA-N 2 2 253.346 0.339 20 0 CCADLP [NH3+][C@@H]1CCCCC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC000631832870 370699119 /nfs/dbraw/zinc/69/91/19/370699119.db2.gz OTECAWQQEUXHRJ-LLVKDONJSA-N 2 2 253.346 0.339 20 0 CCADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCOc1ccc(S(N)(=O)=O)cc1 ZINC000631858462 370719831 /nfs/dbraw/zinc/71/98/31/370719831.db2.gz YXGAMKFGKVEJNW-QWRGUYRKSA-N 2 2 299.396 0.134 20 0 CCADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCOc1ccc(S(N)(=O)=O)cc1 ZINC000631858462 370719837 /nfs/dbraw/zinc/71/98/37/370719837.db2.gz YXGAMKFGKVEJNW-QWRGUYRKSA-N 2 2 299.396 0.134 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCOc1ccc(S(N)(=O)=O)cc1 ZINC000631858460 370719879 /nfs/dbraw/zinc/71/98/79/370719879.db2.gz YXGAMKFGKVEJNW-GHMZBOCLSA-N 2 2 299.396 0.134 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCOc1ccc(S(N)(=O)=O)cc1 ZINC000631858460 370719882 /nfs/dbraw/zinc/71/98/82/370719882.db2.gz YXGAMKFGKVEJNW-GHMZBOCLSA-N 2 2 299.396 0.134 20 0 CCADLP CCCCCNC(=O)[C@@H](C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631863799 370724125 /nfs/dbraw/zinc/72/41/25/370724125.db2.gz FOPLWNABBJIIIS-CYBMUJFWSA-N 2 2 285.432 0.728 20 0 CCADLP Cc1csc(=O)n1CC[NH+]1CCC([NH2+]CCO)CC1 ZINC000631865709 370726221 /nfs/dbraw/zinc/72/62/21/370726221.db2.gz GJHCWWKXTDCPDO-UHFFFAOYSA-N 2 2 285.413 0.265 20 0 CCADLP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)NCC1CCC1 ZINC000631886670 370736311 /nfs/dbraw/zinc/73/63/11/370736311.db2.gz IZSQFOCMADOTAQ-UONOGXRCSA-N 2 2 265.401 0.977 20 0 CCADLP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)NCC1CCC1 ZINC000631886670 370736318 /nfs/dbraw/zinc/73/63/18/370736318.db2.gz IZSQFOCMADOTAQ-UONOGXRCSA-N 2 2 265.401 0.977 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN[C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@@H](C)O1 ZINC000564853239 291307424 /nfs/dbraw/zinc/30/74/24/291307424.db2.gz AGHRBCAFBGRLNF-OXGONZEZSA-N 2 2 299.459 0.529 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@@H](C)O1 ZINC000564853239 291307425 /nfs/dbraw/zinc/30/74/25/291307425.db2.gz AGHRBCAFBGRLNF-OXGONZEZSA-N 2 2 299.459 0.529 20 0 CCADLP [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@H]1CCc3[nH+]ccn3C1)C2 ZINC000621700236 366843067 /nfs/dbraw/zinc/84/30/67/366843067.db2.gz KWRUPBHHHDMBKV-ZOWXZIJZSA-N 2 2 274.368 0.785 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000614099231 364502035 /nfs/dbraw/zinc/50/20/35/364502035.db2.gz VWRQVYZBRRJAQW-AAEUAGOBSA-N 2 2 280.347 0.905 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000614099234 364503187 /nfs/dbraw/zinc/50/31/87/364503187.db2.gz VWRQVYZBRRJAQW-DGCLKSJQSA-N 2 2 280.347 0.905 20 0 CCADLP C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@H]2C1 ZINC000614125522 364510000 /nfs/dbraw/zinc/51/00/00/364510000.db2.gz WHOCDLBTLOACFG-RWMBFGLXSA-N 2 2 274.368 0.466 20 0 CCADLP C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@H]2C1 ZINC000614125522 364510006 /nfs/dbraw/zinc/51/00/06/364510006.db2.gz WHOCDLBTLOACFG-RWMBFGLXSA-N 2 2 274.368 0.466 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC12CCC[NH+]1CCC2 ZINC000614224907 364541237 /nfs/dbraw/zinc/54/12/37/364541237.db2.gz CVVKMYLLKZMZKW-UHFFFAOYSA-N 2 2 262.357 0.707 20 0 CCADLP CC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c2ccccc21 ZINC000621752332 366860940 /nfs/dbraw/zinc/86/09/40/366860940.db2.gz YALITGHYJHFLFP-UKRRQHHQSA-N 2 2 291.395 0.996 20 0 CCADLP C[C@H](CC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)n1cc[nH+]c1 ZINC000614514167 364643724 /nfs/dbraw/zinc/64/37/24/364643724.db2.gz JKJSHPCETXUXCN-KGLIPLIRSA-N 2 2 291.399 0.340 20 0 CCADLP C[C@H](CC(=O)NC[C@H]1C[N@H+]2CCN1CCC2)n1cc[nH+]c1 ZINC000614514167 364643729 /nfs/dbraw/zinc/64/37/29/364643729.db2.gz JKJSHPCETXUXCN-KGLIPLIRSA-N 2 2 291.399 0.340 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000614515048 364645689 /nfs/dbraw/zinc/64/56/89/364645689.db2.gz SFZLLFJNQOMHOQ-JSGCOSHPSA-N 2 2 291.399 0.094 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000614515048 364645693 /nfs/dbraw/zinc/64/56/93/364645693.db2.gz SFZLLFJNQOMHOQ-JSGCOSHPSA-N 2 2 291.399 0.094 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000614515048 364645696 /nfs/dbraw/zinc/64/56/96/364645696.db2.gz SFZLLFJNQOMHOQ-JSGCOSHPSA-N 2 2 291.399 0.094 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000614515048 364645697 /nfs/dbraw/zinc/64/56/97/364645697.db2.gz SFZLLFJNQOMHOQ-JSGCOSHPSA-N 2 2 291.399 0.094 20 0 CCADLP C[NH+]1CCC(CC(=O)NC[C@@H]2CN3CC[N@@H+]2CCC3)CC1 ZINC000614501941 364631983 /nfs/dbraw/zinc/63/19/83/364631983.db2.gz IMWJRKXJPBVRHO-OAHLLOKOSA-N 2 2 294.443 0.224 20 0 CCADLP C[NH+]1CCC(CC(=O)NC[C@@H]2CN3CC[N@H+]2CCC3)CC1 ZINC000614501941 364631990 /nfs/dbraw/zinc/63/19/90/364631990.db2.gz IMWJRKXJPBVRHO-OAHLLOKOSA-N 2 2 294.443 0.224 20 0 CCADLP [NH3+]C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2c(F)cccc2F)CCCO1 ZINC000564952517 291324863 /nfs/dbraw/zinc/32/48/63/291324863.db2.gz BJWUGTXMWKFBSN-RNCFNFMXSA-N 2 2 299.321 0.541 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)C[NH+](C)C ZINC000615174575 364867573 /nfs/dbraw/zinc/86/75/73/364867573.db2.gz CEWAEFKQGKZJCL-GHMZBOCLSA-N 2 2 264.373 0.829 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)C[NH+](C)C ZINC000615174575 364867576 /nfs/dbraw/zinc/86/75/76/364867576.db2.gz CEWAEFKQGKZJCL-GHMZBOCLSA-N 2 2 264.373 0.829 20 0 CCADLP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000615303882 364913392 /nfs/dbraw/zinc/91/33/92/364913392.db2.gz VHKWWZGGWQHCHT-MBNYWOFBSA-N 2 2 276.384 0.997 20 0 CCADLP C[NH+](C)CC1CN(C(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000615512531 364989604 /nfs/dbraw/zinc/98/96/04/364989604.db2.gz GTSAHCCVZIKSSY-UHFFFAOYSA-N 2 2 272.352 0.897 20 0 CCADLP C[C@H](CNC(=O)NCc1c[nH+]cn1C)C[NH+]1CCOCC1 ZINC000574128281 334994410 /nfs/dbraw/zinc/99/44/10/334994410.db2.gz SISANZVASJWYHV-GFCCVEGCSA-N 2 2 295.387 0.188 20 0 CCADLP C[NH2+]CCC[N@H+](C)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000565043580 291340143 /nfs/dbraw/zinc/34/01/43/291340143.db2.gz GSKLYUUBTBLXFO-GFCCVEGCSA-N 2 2 265.361 0.067 20 0 CCADLP C[NH2+]CCC[N@@H+](C)[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000565043580 291340144 /nfs/dbraw/zinc/34/01/44/291340144.db2.gz GSKLYUUBTBLXFO-GFCCVEGCSA-N 2 2 265.361 0.067 20 0 CCADLP C[C@H](CC(=O)NC[C@@H]1CCC[NH2+]C1)n1cc[nH+]c1 ZINC000565146782 291346771 /nfs/dbraw/zinc/34/67/71/291346771.db2.gz FMLBZIASRFJLMK-VXGBXAGGSA-N 2 2 250.346 0.950 20 0 CCADLP C[C@@H](C(=O)N(C)Cc1c[nH+]c[nH]1)[NH+]1CCSCC1 ZINC000616926605 365471371 /nfs/dbraw/zinc/47/13/71/365471371.db2.gz JDDZIVZHJYQNHE-JTQLQIEISA-N 2 2 268.386 0.805 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000621863673 366901416 /nfs/dbraw/zinc/90/14/16/366901416.db2.gz FWLGAIQXWVBLFM-UHFFFAOYSA-N 2 2 294.399 0.868 20 0 CCADLP CC(C)(C(=O)NCC[N@@H+]1CCCOCC1)c1c[nH]c[nH+]1 ZINC000621967129 366956049 /nfs/dbraw/zinc/95/60/49/366956049.db2.gz YNRLWTABDLJFSX-UHFFFAOYSA-N 2 2 280.372 0.526 20 0 CCADLP CC(C)(C(=O)NCC[N@H+]1CCCOCC1)c1c[nH]c[nH+]1 ZINC000621967129 366956058 /nfs/dbraw/zinc/95/60/58/366956058.db2.gz YNRLWTABDLJFSX-UHFFFAOYSA-N 2 2 280.372 0.526 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000565307218 291371676 /nfs/dbraw/zinc/37/16/76/291371676.db2.gz LJPBJFWODCQYFE-AVGNSLFASA-N 2 2 269.389 0.211 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000565307218 291371679 /nfs/dbraw/zinc/37/16/79/291371679.db2.gz LJPBJFWODCQYFE-AVGNSLFASA-N 2 2 269.389 0.211 20 0 CCADLP CN(C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000565303151 291370632 /nfs/dbraw/zinc/37/06/32/291370632.db2.gz RNRIYFWWNXDZJP-KGLIPLIRSA-N 2 2 281.400 0.450 20 0 CCADLP CN(C(=O)[C@@H]1COCC[N@H+]1C1CCCC1)[C@@H]1CC[NH2+]C1 ZINC000565303151 291370634 /nfs/dbraw/zinc/37/06/34/291370634.db2.gz RNRIYFWWNXDZJP-KGLIPLIRSA-N 2 2 281.400 0.450 20 0 CCADLP Cc1nc(N2CCN(C(=O)C[NH2+]C3CC3)CC2)cc[nH+]1 ZINC000566196439 291373338 /nfs/dbraw/zinc/37/33/38/291373338.db2.gz LLQMYADGBINMCD-UHFFFAOYSA-N 2 2 275.356 0.186 20 0 CCADLP Cc1nc(C)c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)[nH]1 ZINC000622144007 367058185 /nfs/dbraw/zinc/05/81/85/367058185.db2.gz QGJKVKLAFQDPEX-UHFFFAOYSA-N 2 2 281.404 0.640 20 0 CCADLP Cc1nc(C)c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)[nH]1 ZINC000622144007 367058189 /nfs/dbraw/zinc/05/81/89/367058189.db2.gz QGJKVKLAFQDPEX-UHFFFAOYSA-N 2 2 281.404 0.640 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000335558257 212265343 /nfs/dbraw/zinc/26/53/43/212265343.db2.gz JACXPKQCFYMVBD-NSHDSACASA-N 2 2 262.357 0.654 20 0 CCADLP C[NH+](C)Cc1ccc(C(=O)NCCc2[nH]cc[nH+]2)cn1 ZINC000622364200 367133686 /nfs/dbraw/zinc/13/36/86/367133686.db2.gz NZGLQRTWYNRAHM-UHFFFAOYSA-N 2 2 273.340 0.839 20 0 CCADLP C[C@H](C(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1)C1C[NH2+]C1 ZINC000566197530 291373936 /nfs/dbraw/zinc/37/39/36/291373936.db2.gz HQVBRVWZWKPCLY-SWLSCSKDSA-N 2 2 295.427 0.411 20 0 CCADLP C[C@H](C(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1)C1C[NH2+]C1 ZINC000566197530 291373938 /nfs/dbraw/zinc/37/39/38/291373938.db2.gz HQVBRVWZWKPCLY-SWLSCSKDSA-N 2 2 295.427 0.411 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000622384848 367141566 /nfs/dbraw/zinc/14/15/66/367141566.db2.gz USBDRLDEFPKSCM-GFCCVEGCSA-N 2 2 280.372 0.276 20 0 CCADLP COCC[NH+]1CCC([NH2+][C@@H]2COC[C@H]2OC)CC1 ZINC000566222064 291378307 /nfs/dbraw/zinc/37/83/07/291378307.db2.gz XVXURIAGHZXLEJ-CHWSQXEVSA-N 2 2 258.362 0.101 20 0 CCADLP CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623179187 367467472 /nfs/dbraw/zinc/46/74/72/367467472.db2.gz BDZMMKMQBBKVAG-MNOVXSKESA-N 2 2 264.373 0.935 20 0 CCADLP Cn1nncc1C[NH2+]CC1CC[NH+](CC(F)F)CC1 ZINC000623088839 367447675 /nfs/dbraw/zinc/44/76/75/367447675.db2.gz HDEDJJFDDKQLNJ-UHFFFAOYSA-N 2 2 273.331 0.882 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623178615 367465523 /nfs/dbraw/zinc/46/55/23/367465523.db2.gz YEMWMZMTKDRSBI-SRVKXCTJSA-N 2 2 262.357 0.702 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623178616 367466375 /nfs/dbraw/zinc/46/63/75/367466375.db2.gz YEMWMZMTKDRSBI-TUAOUCFPSA-N 2 2 262.357 0.702 20 0 CCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000623707569 367625130 /nfs/dbraw/zinc/62/51/30/367625130.db2.gz DLYJPNARXFMKIJ-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000623707569 367625133 /nfs/dbraw/zinc/62/51/33/367625133.db2.gz DLYJPNARXFMKIJ-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000623632506 367609321 /nfs/dbraw/zinc/60/93/21/367609321.db2.gz BDLPENNXWOPENZ-GFCCVEGCSA-N 2 2 279.388 0.951 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000623632506 367609330 /nfs/dbraw/zinc/60/93/30/367609330.db2.gz BDLPENNXWOPENZ-GFCCVEGCSA-N 2 2 279.388 0.951 20 0 CCADLP COc1cc(C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)cc(OC)c1 ZINC000623757110 367646043 /nfs/dbraw/zinc/64/60/43/367646043.db2.gz NZIXSBWXUAZDDD-CYBMUJFWSA-N 2 2 280.368 0.860 20 0 CCADLP COc1cc(C[NH2+]CC[N@H+]2CC[C@@H](O)C2)cc(OC)c1 ZINC000623757110 367646055 /nfs/dbraw/zinc/64/60/55/367646055.db2.gz NZIXSBWXUAZDDD-CYBMUJFWSA-N 2 2 280.368 0.860 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000623717232 367632038 /nfs/dbraw/zinc/63/20/38/367632038.db2.gz QOGBLTKCCCOTIU-KBPBESRZSA-N 2 2 298.431 0.347 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000623717232 367632044 /nfs/dbraw/zinc/63/20/44/367632044.db2.gz QOGBLTKCCCOTIU-KBPBESRZSA-N 2 2 298.431 0.347 20 0 CCADLP CC(C)[NH+]1CC[C@@H](CNC(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000623717232 367632049 /nfs/dbraw/zinc/63/20/49/367632049.db2.gz QOGBLTKCCCOTIU-KBPBESRZSA-N 2 2 298.431 0.347 20 0 CCADLP CC(C)[NH+]1CC[C@@H](CNC(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000623717232 367632054 /nfs/dbraw/zinc/63/20/54/367632054.db2.gz QOGBLTKCCCOTIU-KBPBESRZSA-N 2 2 298.431 0.347 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000566351729 291396528 /nfs/dbraw/zinc/39/65/28/291396528.db2.gz ZOOPKNXOAGLSFX-IUODEOHRSA-N 2 2 280.368 0.729 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000566351729 291396529 /nfs/dbraw/zinc/39/65/29/291396529.db2.gz ZOOPKNXOAGLSFX-IUODEOHRSA-N 2 2 280.368 0.729 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H]1COCC[NH+]1C ZINC000624082250 367747813 /nfs/dbraw/zinc/74/78/13/367747813.db2.gz SFMDYAWWYRGHRN-QWHCGFSZSA-N 2 2 286.420 0.345 20 0 CCADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@@H]1COCC[NH+]1C ZINC000624082250 367747822 /nfs/dbraw/zinc/74/78/22/367747822.db2.gz SFMDYAWWYRGHRN-QWHCGFSZSA-N 2 2 286.420 0.345 20 0 CCADLP CC(C)[NH+](C)C[C@H](C)NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000624082250 367747825 /nfs/dbraw/zinc/74/78/25/367747825.db2.gz SFMDYAWWYRGHRN-QWHCGFSZSA-N 2 2 286.420 0.345 20 0 CCADLP CC(C)[NH+](C)C[C@H](C)NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000624082250 367747833 /nfs/dbraw/zinc/74/78/33/367747833.db2.gz SFMDYAWWYRGHRN-QWHCGFSZSA-N 2 2 286.420 0.345 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)NC[C@H]2CCCC[N@H+](C)C2)c1 ZINC000624188407 367784629 /nfs/dbraw/zinc/78/46/29/367784629.db2.gz JWCRXAPLHWDGNB-CYBMUJFWSA-N 2 2 293.415 0.994 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)NC[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000624188407 367784637 /nfs/dbraw/zinc/78/46/37/367784637.db2.gz JWCRXAPLHWDGNB-CYBMUJFWSA-N 2 2 293.415 0.994 20 0 CCADLP O[C@@H]1CCN(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000624230987 367798354 /nfs/dbraw/zinc/79/83/54/367798354.db2.gz MSPGKWBHNJGYRP-HZPDHXFCSA-N 2 2 297.443 0.286 20 0 CCADLP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC[N@@H+]3CC[C@@H](O)C3)C[C@H]2C1 ZINC000624231269 367799331 /nfs/dbraw/zinc/79/93/31/367799331.db2.gz VCEKXJSMBJPJPZ-KHMAMNHCSA-N 2 2 268.401 0.846 20 0 CCADLP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC[N@H+]3CC[C@@H](O)C3)C[C@H]2C1 ZINC000624231269 367799336 /nfs/dbraw/zinc/79/93/36/367799336.db2.gz VCEKXJSMBJPJPZ-KHMAMNHCSA-N 2 2 268.401 0.846 20 0 CCADLP COCC[NH+]1CCC([NH2+][C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000624342341 367839562 /nfs/dbraw/zinc/83/95/62/367839562.db2.gz CLLQLSSBJAORKR-HNNXBMFYSA-N 2 2 295.427 0.840 20 0 CCADLP Cn1c2ccccc2[nH+]c1NC[C@@H]1COCC[N@@H+]1C ZINC000624621199 367932657 /nfs/dbraw/zinc/93/26/57/367932657.db2.gz WRWCAVXXGUNOBK-LLVKDONJSA-N 2 2 260.341 0.738 20 0 CCADLP Cn1c2ccccc2[nH+]c1NC[C@@H]1COCC[N@H+]1C ZINC000624621199 367932662 /nfs/dbraw/zinc/93/26/62/367932662.db2.gz WRWCAVXXGUNOBK-LLVKDONJSA-N 2 2 260.341 0.738 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H]1CCC[N@H+](C)C1)CC2 ZINC000625295492 368138306 /nfs/dbraw/zinc/13/83/06/368138306.db2.gz BAEQICPCPAUFSA-CHWSQXEVSA-N 2 2 276.384 0.964 20 0 CCADLP CO[C@@H](C[NH+]1CCC([NH+]2CCOCC2)CC1)[C@@H]1CCOC1 ZINC000625543980 368237799 /nfs/dbraw/zinc/23/77/99/368237799.db2.gz IWQOBGQIGLDPFQ-ZBFHGGJFSA-N 2 2 298.427 0.835 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000625564536 368249139 /nfs/dbraw/zinc/24/91/39/368249139.db2.gz VRKPCNUFDVIKME-ZDUSSCGKSA-N 2 2 293.415 0.191 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000625564536 368249145 /nfs/dbraw/zinc/24/91/45/368249145.db2.gz VRKPCNUFDVIKME-ZDUSSCGKSA-N 2 2 293.415 0.191 20 0 CCADLP CC[N@@H+]1CCO[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC000625677859 368293145 /nfs/dbraw/zinc/29/31/45/368293145.db2.gz QOMRYFAJSDLSMU-LBPRGKRZSA-N 2 2 266.345 0.028 20 0 CCADLP CC[N@H+]1CCO[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC000625677859 368293154 /nfs/dbraw/zinc/29/31/54/368293154.db2.gz QOMRYFAJSDLSMU-LBPRGKRZSA-N 2 2 266.345 0.028 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625777147 368327647 /nfs/dbraw/zinc/32/76/47/368327647.db2.gz AOZXICNTTODFFC-MJBXVCDLSA-N 2 2 288.457 0.895 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625777147 368327653 /nfs/dbraw/zinc/32/76/53/368327653.db2.gz AOZXICNTTODFFC-MJBXVCDLSA-N 2 2 288.457 0.895 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625777147 368327658 /nfs/dbraw/zinc/32/76/58/368327658.db2.gz AOZXICNTTODFFC-MJBXVCDLSA-N 2 2 288.457 0.895 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625777147 368327664 /nfs/dbraw/zinc/32/76/64/368327664.db2.gz AOZXICNTTODFFC-MJBXVCDLSA-N 2 2 288.457 0.895 20 0 CCADLP C[NH2+]CCOCCNC(=O)Nc1ccn2cc[nH+]c2c1 ZINC000625885202 368356201 /nfs/dbraw/zinc/35/62/01/368356201.db2.gz SOGKKIATBYLOIA-UHFFFAOYSA-N 2 2 277.328 0.692 20 0 CCADLP Cn1cc(CC[NH+]2CCC(C)([NH+]3CCOCC3)CC2)nn1 ZINC000625960538 368375143 /nfs/dbraw/zinc/37/51/43/368375143.db2.gz KUEDJHKXNBOFSI-UHFFFAOYSA-N 2 2 293.415 0.544 20 0 CCADLP Cc1noc([C@@H]2OCC[C@@H]2[NH2+]C[C@H](O)C[NH+]2CCCC2)n1 ZINC000626146069 368457596 /nfs/dbraw/zinc/45/75/96/368457596.db2.gz OGSJHDHIYOQMGJ-RWMBFGLXSA-N 2 2 296.371 0.254 20 0 CCADLP O[C@H](C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)C1CCC1 ZINC000566732274 291434156 /nfs/dbraw/zinc/43/41/56/291434156.db2.gz UZPNARCGMQLRJS-HZSPNIEDSA-N 2 2 254.374 0.504 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)C[NH2+]1 ZINC000626961569 368698170 /nfs/dbraw/zinc/69/81/70/368698170.db2.gz ALGYIZNOJLJUQI-OLZOCXBDSA-N 2 2 298.431 0.537 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)NCC[N@H+]2CCOC(C)(C)C2)C[NH2+]1 ZINC000626961569 368698174 /nfs/dbraw/zinc/69/81/74/368698174.db2.gz ALGYIZNOJLJUQI-OLZOCXBDSA-N 2 2 298.431 0.537 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000626968951 368701924 /nfs/dbraw/zinc/70/19/24/368701924.db2.gz NRAJTTXLZOIRKL-OKILXGFUSA-N 2 2 277.372 0.561 20 0 CCADLP CN(C)c1ccc(CNC(=O)NCCOCCC[NH3+])c[nH+]1 ZINC000626934594 368686146 /nfs/dbraw/zinc/68/61/46/368686146.db2.gz JRACPGMSZZKFCI-UHFFFAOYSA-N 2 2 295.387 0.312 20 0 CCADLP C[C@H](C[NH2+][C@H](C)c1ccc(=O)[nH]n1)C[NH+]1CCOCC1 ZINC000330606774 203029089 /nfs/dbraw/zinc/02/90/89/203029089.db2.gz JBQXZTJCECQXOR-VXGBXAGGSA-N 2 2 280.372 0.801 20 0 CCADLP C[NH2+]CCOCCNC(=O)N[C@H]1C[C@H](C)n2cc[nH+]c21 ZINC000627053089 368758933 /nfs/dbraw/zinc/75/89/33/368758933.db2.gz XHRJEENJULQCKQ-QWRGUYRKSA-N 2 2 281.360 0.424 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000627241642 368905745 /nfs/dbraw/zinc/90/57/45/368905745.db2.gz IGJDTRXIDURMSX-QJPTWQEYSA-N 2 2 277.372 0.669 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627243632 368907687 /nfs/dbraw/zinc/90/76/87/368907687.db2.gz PGRCCVRXDCVKGH-ZOBORPQBSA-N 2 2 296.415 0.241 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000627184183 368853799 /nfs/dbraw/zinc/85/37/99/368853799.db2.gz SRBNYHBNHXQUPY-HIFRSBDPSA-N 2 2 296.415 0.102 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000627184183 368853805 /nfs/dbraw/zinc/85/38/05/368853805.db2.gz SRBNYHBNHXQUPY-HIFRSBDPSA-N 2 2 296.415 0.102 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[NH+](CCCF)CC1 ZINC000627957916 369146329 /nfs/dbraw/zinc/14/63/29/369146329.db2.gz XEIIVGSPDYPDPI-UHFFFAOYSA-N 2 2 268.336 0.777 20 0 CCADLP CCNC(=O)[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(C)C ZINC000656260481 412775398 /nfs/dbraw/zinc/77/53/98/412775398.db2.gz PZPJQTRURGZSMK-GJZGRUSLSA-N 2 2 297.443 0.990 20 0 CCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C1CC(F)(F)C1 ZINC000628209949 369213122 /nfs/dbraw/zinc/21/31/22/369213122.db2.gz ZTILOFGJONKSEZ-SNVBAGLBSA-N 2 2 275.343 0.784 20 0 CCADLP Cc1c[nH]c(CN(CC[NH+](C)C)CC(=O)N(C)C)[nH+]1 ZINC000628338318 369243091 /nfs/dbraw/zinc/24/30/91/369243091.db2.gz HIVLGTWXVXTJLM-UHFFFAOYSA-N 2 2 267.377 0.170 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CCN2CCC([NH+](C)C)CC2)n1C ZINC000567292325 291473659 /nfs/dbraw/zinc/47/36/59/291473659.db2.gz MNYGUHMOIDEYDU-UHFFFAOYSA-N 3 2 279.432 0.844 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000276145579 193225841 /nfs/dbraw/zinc/22/58/41/193225841.db2.gz BEBIHZDVKBUZMP-SNVBAGLBSA-N 2 2 292.305 0.855 20 0 CCADLP CCc1noc([C@@H](C)[N@H+](C)CCOCC[NH2+]C)n1 ZINC000629568491 369713894 /nfs/dbraw/zinc/71/38/94/369713894.db2.gz KSQSDMFIGBXTIA-SNVBAGLBSA-N 2 2 256.350 0.861 20 0 CCADLP CCc1noc([C@@H](C)[N@@H+](C)CCOCC[NH2+]C)n1 ZINC000629568491 369713900 /nfs/dbraw/zinc/71/39/00/369713900.db2.gz KSQSDMFIGBXTIA-SNVBAGLBSA-N 2 2 256.350 0.861 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000629516431 369688978 /nfs/dbraw/zinc/68/89/78/369688978.db2.gz FSXQXCGVTLDMNN-GHMZBOCLSA-N 2 2 260.403 0.684 20 0 CCADLP COc1cncc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000629535218 369694677 /nfs/dbraw/zinc/69/46/77/369694677.db2.gz CLLBLNWDOVWWTO-QWRGUYRKSA-N 2 2 250.346 0.902 20 0 CCADLP COc1cncc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000629535218 369694680 /nfs/dbraw/zinc/69/46/80/369694680.db2.gz CLLBLNWDOVWWTO-QWRGUYRKSA-N 2 2 250.346 0.902 20 0 CCADLP O[C@@H](C[NH2+][C@H]1CCn2cc[nH+]c2C1)C[NH+]1CCCC1 ZINC000629577981 369721790 /nfs/dbraw/zinc/72/17/90/369721790.db2.gz UFXYAKHOZZYPOM-STQMWFEESA-N 3 2 264.373 0.244 20 0 CCADLP COCCCn1nccc1C[NH2+]CC1([NH3+])CCOCC1 ZINC000629653960 369749747 /nfs/dbraw/zinc/74/97/47/369749747.db2.gz KLCFNTJZQNEDKP-UHFFFAOYSA-N 2 2 282.388 0.517 20 0 CCADLP COc1ccccc1C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000629654545 369749878 /nfs/dbraw/zinc/74/98/78/369749878.db2.gz ZDXYNDFPSOSCPC-UHFFFAOYSA-N 2 2 274.324 0.939 20 0 CCADLP C[N@H+](CC(=O)NCC[NH+]1CCOC(C)(C)C1)C1CCC1 ZINC000629954230 369852210 /nfs/dbraw/zinc/85/22/10/369852210.db2.gz BWEQIPVUEAIMOJ-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP C[N@@H+](CC(=O)NCC[NH+]1CCOC(C)(C)C1)C1CCC1 ZINC000629954230 369852214 /nfs/dbraw/zinc/85/22/14/369852214.db2.gz BWEQIPVUEAIMOJ-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+](CC(=O)NCC[N@@H+]1CCOC(C)(C)C1)C1CCC1 ZINC000629954230 369852219 /nfs/dbraw/zinc/85/22/19/369852219.db2.gz BWEQIPVUEAIMOJ-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+](CC(=O)NCC[N@H+]1CCOC(C)(C)C1)C1CCC1 ZINC000629954230 369852224 /nfs/dbraw/zinc/85/22/24/369852224.db2.gz BWEQIPVUEAIMOJ-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH+]1CCOCC1 ZINC000629958570 369854435 /nfs/dbraw/zinc/85/44/35/369854435.db2.gz NUCQNHWOYSPMSC-STQMWFEESA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H](NC(=O)C[N@@H+](C)C1CCC1)[C@H](C)[NH+]1CCOCC1 ZINC000629958570 369854437 /nfs/dbraw/zinc/85/44/37/369854437.db2.gz NUCQNHWOYSPMSC-STQMWFEESA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)CN1CC[NH+](C)CC1 ZINC000629964861 369858990 /nfs/dbraw/zinc/85/89/90/369858990.db2.gz KVCBIACPNVFVKV-AWEZNQCLSA-N 2 2 296.459 0.470 20 0 CCADLP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)CN1CC[NH+](C)CC1 ZINC000629964861 369858996 /nfs/dbraw/zinc/85/89/96/369858996.db2.gz KVCBIACPNVFVKV-AWEZNQCLSA-N 2 2 296.459 0.470 20 0 CCADLP CCC(=O)c1cn(CC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000630612029 370209651 /nfs/dbraw/zinc/20/96/51/370209651.db2.gz OTIMWXGHGVUMCY-UHFFFAOYSA-N 2 2 267.377 0.754 20 0 CCADLP CCC(=O)c1cn(CC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000630612029 370209653 /nfs/dbraw/zinc/20/96/53/370209653.db2.gz OTIMWXGHGVUMCY-UHFFFAOYSA-N 2 2 267.377 0.754 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631000902 370356360 /nfs/dbraw/zinc/35/63/60/370356360.db2.gz JETJIOSAGBLYLK-TXEJJXNPSA-N 2 2 263.345 0.419 20 0 CCADLP Cc1nc(N(C)C2CC[NH+](C(C)C)CC2)nc(N)[nH+]1 ZINC000631050970 370368404 /nfs/dbraw/zinc/36/84/04/370368404.db2.gz NNDKPAYVXYSUKK-UHFFFAOYSA-N 2 2 264.377 0.902 20 0 CCADLP Cc1nc(N)nc(N(C)C2CC[NH+](C(C)C)CC2)[nH+]1 ZINC000631050970 370368408 /nfs/dbraw/zinc/36/84/08/370368408.db2.gz NNDKPAYVXYSUKK-UHFFFAOYSA-N 2 2 264.377 0.902 20 0 CCADLP Cc1nc(NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)nc(N)[nH+]1 ZINC000631051647 370369506 /nfs/dbraw/zinc/36/95/06/370369506.db2.gz MTHHFUCBODQBCT-AOOOYVTPSA-N 2 2 294.403 0.314 20 0 CCADLP Cc1nc(NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nc(N)[nH+]1 ZINC000631051647 370369507 /nfs/dbraw/zinc/36/95/07/370369507.db2.gz MTHHFUCBODQBCT-AOOOYVTPSA-N 2 2 294.403 0.314 20 0 CCADLP CCC(CC)[C@H](CNc1nc(C)[nH+]c(N)n1)[NH+](C)C ZINC000631051900 370369733 /nfs/dbraw/zinc/36/97/33/370369733.db2.gz YGZKGBSKVAMFMF-NSHDSACASA-N 2 2 266.393 0.793 20 0 CCADLP C[C@H](CC(=O)NCC1CC[NH2+]CC1)n1cc[nH+]c1 ZINC000567619735 291495928 /nfs/dbraw/zinc/49/59/28/291495928.db2.gz BMOLNOQTBDZTTC-LLVKDONJSA-N 2 2 250.346 0.950 20 0 CCADLP CCN(CCC[NH+]1CCCC1)c1nc(C)[nH+]c(N)n1 ZINC000631241434 370435406 /nfs/dbraw/zinc/43/54/06/370435406.db2.gz WXVHPFNDQYNPGA-UHFFFAOYSA-N 2 2 264.377 0.905 20 0 CCADLP CCN(CCC[NH+]1CCCC1)c1nc(N)nc(C)[nH+]1 ZINC000631241434 370435409 /nfs/dbraw/zinc/43/54/09/370435409.db2.gz WXVHPFNDQYNPGA-UHFFFAOYSA-N 2 2 264.377 0.905 20 0 CCADLP CCCCc1cc(NC[C@@](C)(O)C[NH+](C)C)nc[nH+]1 ZINC000631177812 370412346 /nfs/dbraw/zinc/41/23/46/370412346.db2.gz ACLYHSHOQXAMAI-CQSZACIVSA-N 2 2 266.389 0.966 20 0 CCADLP CC(=O)Nc1cccc(C[NH2+]CC[N@@H+]2CC[C@H](O)C2)c1 ZINC000631186627 370415078 /nfs/dbraw/zinc/41/50/78/370415078.db2.gz XVOCPGXOAFSKHT-HNNXBMFYSA-N 2 2 277.368 0.801 20 0 CCADLP CC(=O)Nc1cccc(C[NH2+]CC[N@H+]2CC[C@H](O)C2)c1 ZINC000631186627 370415079 /nfs/dbraw/zinc/41/50/79/370415079.db2.gz XVOCPGXOAFSKHT-HNNXBMFYSA-N 2 2 277.368 0.801 20 0 CCADLP C[NH+](C)CC1CCN(C(=O)C2([NH+]3CCOCC3)CC2)CC1 ZINC000631273228 370447331 /nfs/dbraw/zinc/44/73/31/370447331.db2.gz RFOOUVHLJNWKQH-UHFFFAOYSA-N 2 2 295.427 0.651 20 0 CCADLP C[NH+](C)C[C@H]1CCN(C(=O)C2([NH+]3CCOCC3)CC2)C1 ZINC000631294395 370461538 /nfs/dbraw/zinc/46/15/38/370461538.db2.gz IVUZZKOLZKHATC-CYBMUJFWSA-N 2 2 281.400 0.261 20 0 CCADLP Cc1nc(N2CC[N@@H+](C3CC3)C[C@@H](C)C2)nc(N)[nH+]1 ZINC000631294353 370461832 /nfs/dbraw/zinc/46/18/32/370461832.db2.gz DTQYAQSQBJMACV-SECBINFHSA-N 2 2 262.361 0.513 20 0 CCADLP Cc1nc(N2CC[N@H+](C3CC3)C[C@@H](C)C2)nc(N)[nH+]1 ZINC000631294353 370461837 /nfs/dbraw/zinc/46/18/37/370461837.db2.gz DTQYAQSQBJMACV-SECBINFHSA-N 2 2 262.361 0.513 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1nnc(C2CC2)o1 ZINC000631443656 370544164 /nfs/dbraw/zinc/54/41/64/370544164.db2.gz UYNPGKJHMUCBMO-UHFFFAOYSA-N 2 2 295.387 0.560 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1nnc(C2CC2)o1 ZINC000631443656 370544168 /nfs/dbraw/zinc/54/41/68/370544168.db2.gz UYNPGKJHMUCBMO-UHFFFAOYSA-N 2 2 295.387 0.560 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+][C@@H](C)C[NH+](C)C)no1 ZINC000567707061 291504476 /nfs/dbraw/zinc/50/44/76/291504476.db2.gz IKTMCSVYLVUTOV-VIFPVBQESA-N 2 2 254.334 0.273 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCC[NH+]3CCOCC3)C[C@H]21 ZINC000331967673 204344936 /nfs/dbraw/zinc/34/49/36/204344936.db2.gz QMAHOFCWBSWWQY-BFHYXJOUSA-N 2 2 296.415 0.087 20 0 CCADLP C[C@H](CNC(=O)N(C)Cc1[nH]cc[nH+]1)C[NH+]1CCOCC1 ZINC000633088090 371391992 /nfs/dbraw/zinc/39/19/92/371391992.db2.gz OPWSZBJRAQWTJM-GFCCVEGCSA-N 2 2 295.387 0.519 20 0 CCADLP C[NH+](C)C[C@H](CO)NC(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633072266 371382801 /nfs/dbraw/zinc/38/28/01/371382801.db2.gz NTEQKVPSIIVIPM-CYBMUJFWSA-N 2 2 288.351 0.729 20 0 CCADLP C[NH+](C)CCn1cc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)cn1 ZINC000633323470 371487279 /nfs/dbraw/zinc/48/72/79/371487279.db2.gz NEHHMKZJTHUNJO-UHFFFAOYSA-N 2 2 290.371 0.833 20 0 CCADLP C[NH+]1CCN(Cc2cn(-c3cc[nH+]cc3)nn2)CC1 ZINC000656440372 412794426 /nfs/dbraw/zinc/79/44/26/412794426.db2.gz FMFZKMPXKAJJMH-UHFFFAOYSA-N 2 2 258.329 0.410 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC000634708609 372153357 /nfs/dbraw/zinc/15/33/57/372153357.db2.gz XDIAEIICACXNBY-VHDGCEQUSA-N 2 2 298.427 0.351 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC000634708609 372153364 /nfs/dbraw/zinc/15/33/64/372153364.db2.gz XDIAEIICACXNBY-VHDGCEQUSA-N 2 2 298.427 0.351 20 0 CCADLP COC[C@@H](CO)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634720671 372166044 /nfs/dbraw/zinc/16/60/44/372166044.db2.gz NTJPRWDWHIJCFT-CVEARBPZSA-N 2 2 294.395 0.220 20 0 CCADLP COC[C@@H](CO)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634720671 372166051 /nfs/dbraw/zinc/16/60/51/372166051.db2.gz NTJPRWDWHIJCFT-CVEARBPZSA-N 2 2 294.395 0.220 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCO[C@@H](C(F)F)CC1 ZINC000634758651 372205298 /nfs/dbraw/zinc/20/52/98/372205298.db2.gz SLKPSEZGGRKRIH-WDEREUQCSA-N 2 2 266.332 0.655 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCO[C@@H](C(F)F)CC1 ZINC000634758651 372205301 /nfs/dbraw/zinc/20/53/01/372205301.db2.gz SLKPSEZGGRKRIH-WDEREUQCSA-N 2 2 266.332 0.655 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634758651 372205306 /nfs/dbraw/zinc/20/53/06/372205306.db2.gz SLKPSEZGGRKRIH-WDEREUQCSA-N 2 2 266.332 0.655 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634758651 372205310 /nfs/dbraw/zinc/20/53/10/372205310.db2.gz SLKPSEZGGRKRIH-WDEREUQCSA-N 2 2 266.332 0.655 20 0 CCADLP [NH3+][C@@H]1CCCN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)C1 ZINC000634807651 372247728 /nfs/dbraw/zinc/24/77/28/372247728.db2.gz WGCYUYRMLKNJDJ-CHWSQXEVSA-N 2 2 291.399 0.613 20 0 CCADLP [NH3+]CC[C@H]1CCCCN1c1nc[nH+]c2c1OCCN2 ZINC000634808913 372249423 /nfs/dbraw/zinc/24/94/23/372249423.db2.gz GMSDXGIACDKQRM-SNVBAGLBSA-N 2 2 263.345 0.989 20 0 CCADLP [NH3+]CC[C@H]1CCCCN1c1[nH+]cnc2c1OCCN2 ZINC000634808913 372249427 /nfs/dbraw/zinc/24/94/27/372249427.db2.gz GMSDXGIACDKQRM-SNVBAGLBSA-N 2 2 263.345 0.989 20 0 CCADLP c1cc2c(nc[nH+]c2N2CC[C@@H](N3CC[NH2+]CC3)C2)[nH]1 ZINC000634809304 372251396 /nfs/dbraw/zinc/25/13/96/372251396.db2.gz PAPFTGNJHFUSFZ-LLVKDONJSA-N 2 2 272.356 0.442 20 0 CCADLP C[C@H]([NH3+])[C@H](C)Nc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000634810119 372253406 /nfs/dbraw/zinc/25/34/06/372253406.db2.gz MPRVDMQMNAVLQU-QWRGUYRKSA-N 2 2 279.388 0.975 20 0 CCADLP Nc1c(N[C@H]2CCC[NH2+]CC2)[nH+]cnc1-n1cccn1 ZINC000634813235 372256784 /nfs/dbraw/zinc/25/67/84/372256784.db2.gz CZZPJXGSIYUDJK-JTQLQIEISA-N 2 2 273.344 0.799 20 0 CCADLP Cc1cc(C[NH+]2CCN(CC34CC(C3)C[NH2+]4)CC2)on1 ZINC000634991465 372326008 /nfs/dbraw/zinc/32/60/08/372326008.db2.gz FSURBXTVTGMRQO-UHFFFAOYSA-N 2 2 276.384 0.853 20 0 CCADLP c1cncc(C[NH+]2CCN(CC34CC(C3)C[NH2+]4)CC2)c1 ZINC000634993149 372328754 /nfs/dbraw/zinc/32/87/54/372328754.db2.gz MBILXRKNMLUCEW-UHFFFAOYSA-N 2 2 272.396 0.951 20 0 CCADLP COCC[NH2+]C1CC[NH+](C[C@@H](C[NH3+])C(C)C)CC1 ZINC000634996409 372332358 /nfs/dbraw/zinc/33/23/58/372332358.db2.gz IWYIGSKTJLLSCE-CYBMUJFWSA-N 3 2 257.422 0.918 20 0 CCADLP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000635003246 372340162 /nfs/dbraw/zinc/34/01/62/372340162.db2.gz BCXYRYAWOKGQRL-CYUUQNCZSA-N 3 2 267.417 0.861 20 0 CCADLP C[C@H](C(=O)NCC[N@@H+]1CCOC(C)(C)C1)[NH+](C)C ZINC000635464553 372533778 /nfs/dbraw/zinc/53/37/78/372533778.db2.gz AZGZRUNULVYVKM-LLVKDONJSA-N 2 2 257.378 0.164 20 0 CCADLP C[C@H](C(=O)NCC[N@H+]1CCOC(C)(C)C1)[NH+](C)C ZINC000635464553 372533784 /nfs/dbraw/zinc/53/37/84/372533784.db2.gz AZGZRUNULVYVKM-LLVKDONJSA-N 2 2 257.378 0.164 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635499877 372563207 /nfs/dbraw/zinc/56/32/07/372563207.db2.gz AHDXCGDJMRBGMI-JHJVBQTASA-N 2 2 292.383 0.740 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635499877 372563210 /nfs/dbraw/zinc/56/32/10/372563210.db2.gz AHDXCGDJMRBGMI-JHJVBQTASA-N 2 2 292.383 0.740 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635499877 372563213 /nfs/dbraw/zinc/56/32/13/372563213.db2.gz AHDXCGDJMRBGMI-JHJVBQTASA-N 2 2 292.383 0.740 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635499877 372563215 /nfs/dbraw/zinc/56/32/15/372563215.db2.gz AHDXCGDJMRBGMI-JHJVBQTASA-N 2 2 292.383 0.740 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC000635533581 372596894 /nfs/dbraw/zinc/59/68/94/372596894.db2.gz SUGLXZCYUIVLQX-CYBMUJFWSA-N 2 2 282.432 0.080 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[NH+]1CCOCC1 ZINC000635591848 372665906 /nfs/dbraw/zinc/66/59/06/372665906.db2.gz PKHKWNYRKNZSSN-YNEHKIRRSA-N 2 2 292.383 0.598 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[NH+]1CCOCC1 ZINC000635591848 372665910 /nfs/dbraw/zinc/66/59/10/372665910.db2.gz PKHKWNYRKNZSSN-YNEHKIRRSA-N 2 2 292.383 0.598 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000497027301 284340753 /nfs/dbraw/zinc/34/07/53/284340753.db2.gz IYNVCPSTLXJXHN-CHWSQXEVSA-N 2 2 287.404 0.462 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000497027301 284340762 /nfs/dbraw/zinc/34/07/62/284340762.db2.gz IYNVCPSTLXJXHN-CHWSQXEVSA-N 2 2 287.404 0.462 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000497027301 284340767 /nfs/dbraw/zinc/34/07/67/284340767.db2.gz IYNVCPSTLXJXHN-CHWSQXEVSA-N 2 2 287.404 0.462 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000497027301 284340772 /nfs/dbraw/zinc/34/07/72/284340772.db2.gz IYNVCPSTLXJXHN-CHWSQXEVSA-N 2 2 287.404 0.462 20 0 CCADLP C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[NH+](C)C ZINC000635696165 372777743 /nfs/dbraw/zinc/77/77/43/372777743.db2.gz WQTGQRLNRFEGMV-MCIONIFRSA-N 2 2 283.416 0.696 20 0 CCADLP C[N@H+](CCc1ccccc1)CC(=O)NCC[NH+]1CCC1 ZINC000635725999 372820686 /nfs/dbraw/zinc/82/06/86/372820686.db2.gz YTSVIGNUZPSMOA-UHFFFAOYSA-N 2 2 275.396 0.983 20 0 CCADLP C[N@@H+](CCc1ccccc1)CC(=O)NCC[NH+]1CCC1 ZINC000635725999 372820699 /nfs/dbraw/zinc/82/06/99/372820699.db2.gz YTSVIGNUZPSMOA-UHFFFAOYSA-N 2 2 275.396 0.983 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000635713289 372801595 /nfs/dbraw/zinc/80/15/95/372801595.db2.gz BBJLQYNRMISWDD-OLZOCXBDSA-N 2 2 294.399 0.842 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000635713289 372801600 /nfs/dbraw/zinc/80/16/00/372801600.db2.gz BBJLQYNRMISWDD-OLZOCXBDSA-N 2 2 294.399 0.842 20 0 CCADLP [NH3+][C@H](CO)c1cn(Cc2cn3cc(Cl)ccc3[nH+]2)nn1 ZINC000656451075 412801363 /nfs/dbraw/zinc/80/13/63/412801363.db2.gz KOVPVMMQCYSEMV-SNVBAGLBSA-N 2 2 292.730 0.620 20 0 CCADLP Cn1cc([C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@H]2[NH3+])cn1 ZINC000333235579 205140897 /nfs/dbraw/zinc/14/08/97/205140897.db2.gz ABUATNXEWINKKH-KWCYVHTRSA-N 2 2 264.373 0.573 20 0 CCADLP Cn1cc([C@@H]2C[N@@H+](CC[C@@H]3CCOC3)C[C@H]2[NH3+])cn1 ZINC000333235579 205140903 /nfs/dbraw/zinc/14/09/03/205140903.db2.gz ABUATNXEWINKKH-KWCYVHTRSA-N 2 2 264.373 0.573 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000333320249 205215625 /nfs/dbraw/zinc/21/56/25/205215625.db2.gz UJIHXVQVKLXWKG-JHJVBQTASA-N 2 2 274.368 0.632 20 0 CCADLP CC(C)(C[NH3+])Cn1cc(CC[NH+]2CCOCC2)nn1 ZINC000656458697 412804257 /nfs/dbraw/zinc/80/42/57/412804257.db2.gz DVSSMPGMAUSKAO-UHFFFAOYSA-N 2 2 267.377 0.138 20 0 CCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000635918423 373105289 /nfs/dbraw/zinc/10/52/89/373105289.db2.gz BGWXEQFGASCUTE-ZNMIVQPWSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC000635918423 373105295 /nfs/dbraw/zinc/10/52/95/373105295.db2.gz BGWXEQFGASCUTE-ZNMIVQPWSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)c1[nH]cc[nH+]1 ZINC000635952751 373152019 /nfs/dbraw/zinc/15/20/19/373152019.db2.gz WQBYRWDYMSBGMK-LLVKDONJSA-N 2 2 280.372 0.945 20 0 CCADLP CCc1c[nH]c(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000636172133 373428965 /nfs/dbraw/zinc/42/89/65/373428965.db2.gz UWCUFFCEQWFURG-UHFFFAOYSA-N 2 2 295.431 0.514 20 0 CCADLP CCc1c[nH]c(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000636172133 373428978 /nfs/dbraw/zinc/42/89/78/373428978.db2.gz UWCUFFCEQWFURG-UHFFFAOYSA-N 2 2 295.431 0.514 20 0 CCADLP CC[N@H+](CC(=O)NCCC[NH+]1CCN(C)CC1)C1CC1 ZINC000440927856 284398898 /nfs/dbraw/zinc/39/88/98/284398898.db2.gz GATVSPPRCUKYPK-UHFFFAOYSA-N 2 2 282.432 0.224 20 0 CCADLP CC[N@@H+](CC(=O)NCCC[NH+]1CCN(C)CC1)C1CC1 ZINC000440927856 284398900 /nfs/dbraw/zinc/39/89/00/284398900.db2.gz GATVSPPRCUKYPK-UHFFFAOYSA-N 2 2 282.432 0.224 20 0 CCADLP CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000636630853 373684493 /nfs/dbraw/zinc/68/44/93/373684493.db2.gz FHFWWYAEIRSDPT-QWHCGFSZSA-N 2 2 291.399 0.839 20 0 CCADLP CCC[N@H+]1CC[C@@H](CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C1 ZINC000636630853 373684502 /nfs/dbraw/zinc/68/45/02/373684502.db2.gz FHFWWYAEIRSDPT-QWHCGFSZSA-N 2 2 291.399 0.839 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636689078 373706520 /nfs/dbraw/zinc/70/65/20/373706520.db2.gz NVSQHHRQBHFAOE-NSHDSACASA-N 2 2 274.328 0.312 20 0 CCADLP C[N@H+](CCNC(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CCCC1 ZINC000636734829 373729003 /nfs/dbraw/zinc/72/90/03/373729003.db2.gz OUJUDKLGZXHXBP-LBPRGKRZSA-N 2 2 291.399 0.981 20 0 CCADLP C[N@@H+](CCNC(=O)N[C@H]1Cc2c[nH+]cn2C1)C1CCCC1 ZINC000636734829 373729011 /nfs/dbraw/zinc/72/90/11/373729011.db2.gz OUJUDKLGZXHXBP-LBPRGKRZSA-N 2 2 291.399 0.981 20 0 CCADLP C[N@H+](CCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000636776243 373751228 /nfs/dbraw/zinc/75/12/28/373751228.db2.gz DVAONYDBFCTIJZ-SNVBAGLBSA-N 2 2 263.345 0.201 20 0 CCADLP C[N@@H+](CCNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C1CC1 ZINC000636776243 373751235 /nfs/dbraw/zinc/75/12/35/373751235.db2.gz DVAONYDBFCTIJZ-SNVBAGLBSA-N 2 2 263.345 0.201 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C[N@@H+]1C1CC1 ZINC000636907068 373811395 /nfs/dbraw/zinc/81/13/95/373811395.db2.gz JFQKGFUKZOABEB-GRYCIOLGSA-N 2 2 289.383 0.732 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)N[C@@H]2Cc3c[nH+]cn3C2)C[N@H+]1C1CC1 ZINC000636907068 373811399 /nfs/dbraw/zinc/81/13/99/373811399.db2.gz JFQKGFUKZOABEB-GRYCIOLGSA-N 2 2 289.383 0.732 20 0 CCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000636921036 373821921 /nfs/dbraw/zinc/82/19/21/373821921.db2.gz FQXNVMZICGDILO-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000636921036 373821926 /nfs/dbraw/zinc/82/19/26/373821926.db2.gz FQXNVMZICGDILO-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N(CC[NH+](C)C)C(C)C ZINC000637039313 373895447 /nfs/dbraw/zinc/89/54/47/373895447.db2.gz WMBPSRYQRMYVAD-CYBMUJFWSA-N 2 2 271.405 0.506 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N(CC[NH+](C)C)C(C)C ZINC000637039313 373895452 /nfs/dbraw/zinc/89/54/52/373895452.db2.gz WMBPSRYQRMYVAD-CYBMUJFWSA-N 2 2 271.405 0.506 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000637263259 374058409 /nfs/dbraw/zinc/05/84/09/374058409.db2.gz SKMHBJHLJQXBHV-RYUDHWBXSA-N 2 2 291.399 0.980 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@H](NC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000637263259 374058414 /nfs/dbraw/zinc/05/84/14/374058414.db2.gz SKMHBJHLJQXBHV-RYUDHWBXSA-N 2 2 291.399 0.980 20 0 CCADLP O=C(NCC[NH2+]C1CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000637339951 374112083 /nfs/dbraw/zinc/11/20/83/374112083.db2.gz MOZZOIBHTQWSCV-UHFFFAOYSA-N 2 2 292.383 0.859 20 0 CCADLP CC(C)N(CC[NH+](C)C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637443134 374163813 /nfs/dbraw/zinc/16/38/13/374163813.db2.gz KNQPEIJXFSLQKV-ZDUSSCGKSA-N 2 2 286.420 0.299 20 0 CCADLP CC(C)N(CC[NH+](C)C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000637443134 374163817 /nfs/dbraw/zinc/16/38/17/374163817.db2.gz KNQPEIJXFSLQKV-ZDUSSCGKSA-N 2 2 286.420 0.299 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC000345267812 217474095 /nfs/dbraw/zinc/47/40/95/217474095.db2.gz ARJASVLDPLSZBJ-KBPBESRZSA-N 2 2 297.443 0.944 20 0 CCADLP C[N@@H+]1CCN(Cc2c[nH+]c(N)nc2N)[C@@H](c2ccccc2)C1 ZINC000637811908 374344605 /nfs/dbraw/zinc/34/46/05/374344605.db2.gz ZBAUCVVWAICQEX-CQSZACIVSA-N 2 2 298.394 0.790 20 0 CCADLP C[N@H+]1CCN(Cc2c[nH+]c(N)nc2N)[C@@H](c2ccccc2)C1 ZINC000637811908 374344609 /nfs/dbraw/zinc/34/46/09/374344609.db2.gz ZBAUCVVWAICQEX-CQSZACIVSA-N 2 2 298.394 0.790 20 0 CCADLP C[NH2+]C[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000637799832 374326452 /nfs/dbraw/zinc/32/64/52/374326452.db2.gz QTSKIQXOLUDSTN-NSHDSACASA-N 2 2 250.346 0.719 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC[C@H](C)[NH+](C)C ZINC000656543075 412820614 /nfs/dbraw/zinc/82/06/14/412820614.db2.gz OEQVOKDELKCABI-RYUDHWBXSA-N 2 2 267.377 0.911 20 0 CCADLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(=O)[nH]c2)CC1 ZINC000637816196 374351867 /nfs/dbraw/zinc/35/18/67/374351867.db2.gz YKDMWTOVQSJNRH-UHFFFAOYSA-N 2 2 265.357 0.676 20 0 CCADLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(=O)[nH]c2)CC1 ZINC000637816196 374351871 /nfs/dbraw/zinc/35/18/71/374351871.db2.gz YKDMWTOVQSJNRH-UHFFFAOYSA-N 2 2 265.357 0.676 20 0 CCADLP C[C@H](CNC(=O)[C@]1(C)CCC[NH2+]1)Cn1cc[nH+]c1 ZINC000568515166 291600755 /nfs/dbraw/zinc/60/07/55/291600755.db2.gz HKBWUCGZWPNZNY-YPMHNXCESA-N 2 2 250.346 0.778 20 0 CCADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2cn3ccccc3[nH+]2)C1 ZINC000638051539 374593861 /nfs/dbraw/zinc/59/38/61/374593861.db2.gz KKYJHVDVUCITQU-IUODEOHRSA-N 2 2 288.351 0.718 20 0 CCADLP C[C@H]([NH3+])CC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000638080264 374638212 /nfs/dbraw/zinc/63/82/12/374638212.db2.gz TYNQGTKEAAMOHG-NSHDSACASA-N 2 2 272.352 0.922 20 0 CCADLP CC(C)CC[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000638070250 374618769 /nfs/dbraw/zinc/61/87/69/374618769.db2.gz PNQROOWLJAUJQN-QWHCGFSZSA-N 2 2 271.405 0.587 20 0 CCADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000638072379 374624620 /nfs/dbraw/zinc/62/46/20/374624620.db2.gz FUHOGZPHKDCJDD-GMXVVIOVSA-N 2 2 266.345 0.155 20 0 CCADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCCCn2cc[nH+]c2)C1 ZINC000638074896 374628744 /nfs/dbraw/zinc/62/87/44/374628744.db2.gz FGHBRCSKJNKGCQ-GXTWGEPZSA-N 2 2 280.372 0.547 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)C2=CC[C@H]([NH3+])C2)CCO1 ZINC000638089983 374650427 /nfs/dbraw/zinc/65/04/27/374650427.db2.gz FINYGACSXPIYRX-LBPRGKRZSA-N 2 2 267.373 0.261 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)C2=CC[C@H]([NH3+])C2)CCO1 ZINC000638089983 374650437 /nfs/dbraw/zinc/65/04/37/374650437.db2.gz FINYGACSXPIYRX-LBPRGKRZSA-N 2 2 267.373 0.261 20 0 CCADLP CC(C)CC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000638089792 374651201 /nfs/dbraw/zinc/65/12/01/374651201.db2.gz DEENAMGTUSDPKD-STQMWFEESA-N 2 2 271.405 0.587 20 0 CCADLP CC(C)CC[C@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000638089792 374651207 /nfs/dbraw/zinc/65/12/07/374651207.db2.gz DEENAMGTUSDPKD-STQMWFEESA-N 2 2 271.405 0.587 20 0 CCADLP COc1cc[nH+]cc1NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638091506 374653691 /nfs/dbraw/zinc/65/36/91/374653691.db2.gz WQGLDIVIGJMGHU-ZDUSSCGKSA-N 2 2 265.313 0.784 20 0 CCADLP [NH3+][C@@H]1CCO[C@@H]1C(=O)NCCCCNc1cccc[nH+]1 ZINC000638097321 374659270 /nfs/dbraw/zinc/65/92/70/374659270.db2.gz UBTWWINDOLEPLU-YPMHNXCESA-N 2 2 278.356 0.506 20 0 CCADLP C[C@]1(C(=O)NCCCCNc2cccc[nH+]2)C[NH2+]CCO1 ZINC000638097881 374661024 /nfs/dbraw/zinc/66/10/24/374661024.db2.gz WXUDFFBUZNOXMV-OAHLLOKOSA-N 2 2 292.383 0.768 20 0 CCADLP C[C@H](NC(=O)C1=CC[C@@H]([NH3+])C1)[C@H](C)[NH+]1CCOCC1 ZINC000638101715 374666535 /nfs/dbraw/zinc/66/65/35/374666535.db2.gz RDGQSUBCUCCKSD-GMXVVIOVSA-N 2 2 267.373 0.259 20 0 CCADLP CC[N@@H+]1CC[C@@H](N(C)Cc2c[nH+]c(N)nc2N)C[C@H]1C ZINC000638111082 374678119 /nfs/dbraw/zinc/67/81/19/374678119.db2.gz QOCAAUHXQYFYBG-ZYHUDNBSSA-N 2 2 278.404 0.606 20 0 CCADLP CC[N@H+]1CC[C@@H](N(C)Cc2c[nH+]c(N)nc2N)C[C@H]1C ZINC000638111082 374678127 /nfs/dbraw/zinc/67/81/27/374678127.db2.gz QOCAAUHXQYFYBG-ZYHUDNBSSA-N 2 2 278.404 0.606 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(N)nc2N)C[C@H]1C ZINC000638111082 374678133 /nfs/dbraw/zinc/67/81/33/374678133.db2.gz QOCAAUHXQYFYBG-ZYHUDNBSSA-N 2 2 278.404 0.606 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(N)nc2N)C[C@H]1C ZINC000638111082 374678141 /nfs/dbraw/zinc/67/81/41/374678141.db2.gz QOCAAUHXQYFYBG-ZYHUDNBSSA-N 2 2 278.404 0.606 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(N)nc2N)C[C@H]1C ZINC000638111082 374678147 /nfs/dbraw/zinc/67/81/47/374678147.db2.gz QOCAAUHXQYFYBG-ZYHUDNBSSA-N 2 2 278.404 0.606 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(N)nc2N)C[C@H]1C ZINC000638111082 374678153 /nfs/dbraw/zinc/67/81/53/374678153.db2.gz QOCAAUHXQYFYBG-ZYHUDNBSSA-N 2 2 278.404 0.606 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCC3C[NH2+]C3)C2)CC1 ZINC000638118329 374685473 /nfs/dbraw/zinc/68/54/73/374685473.db2.gz XQLVVYKKMYVNHQ-CQSZACIVSA-N 3 2 294.443 0.271 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCC3C[NH2+]C3)C2)CC1 ZINC000638118329 374685481 /nfs/dbraw/zinc/68/54/81/374685481.db2.gz XQLVVYKKMYVNHQ-CQSZACIVSA-N 3 2 294.443 0.271 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)c1cnc(C[NH3+])nc1 ZINC000638122750 374690328 /nfs/dbraw/zinc/69/03/28/374690328.db2.gz MWSRQELVIMMZIN-UHFFFAOYSA-N 2 2 288.355 0.718 20 0 CCADLP CCc1c[nH]c(CC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)[nH+]1 ZINC000638140424 374709287 /nfs/dbraw/zinc/70/92/87/374709287.db2.gz BVUDGLZZUNWKNT-GFCCVEGCSA-N 2 2 262.357 0.868 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)[nH+]1 ZINC000638156128 374729233 /nfs/dbraw/zinc/72/92/33/374729233.db2.gz HAQSSPBATHCYNG-VHSXEESVSA-N 2 2 250.346 0.710 20 0 CCADLP CCc1c[nH]c(CC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)[nH+]1 ZINC000638157073 374730235 /nfs/dbraw/zinc/73/02/35/374730235.db2.gz BESWVWQRPBKUAR-VHSXEESVSA-N 2 2 250.346 0.723 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NCC1([NH3+])CCC1)CC2 ZINC000638161034 374737936 /nfs/dbraw/zinc/73/79/36/374737936.db2.gz NSBPRNNHDNJSTC-LLVKDONJSA-N 2 2 262.357 0.752 20 0 CCADLP Cc1cn2ccc(C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)cc2[nH+]1 ZINC000638213462 374801972 /nfs/dbraw/zinc/80/19/72/374801972.db2.gz BYUJSSCISNIDNS-BETUJISGSA-N 2 2 270.336 0.934 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC000638222956 374810088 /nfs/dbraw/zinc/81/00/88/374810088.db2.gz QFFOPLBWZVQIAG-LBPRGKRZSA-N 2 2 288.355 0.098 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[NH2+][C@@H](C)[C@H]1C)CC2 ZINC000638207630 374793903 /nfs/dbraw/zinc/79/39/03/374793903.db2.gz QJFFERBYKZQRDT-YNEHKIRRSA-N 2 2 276.384 0.963 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCC[C@H]3C[NH2+]C[C@H]31)CC2 ZINC000638269157 374869951 /nfs/dbraw/zinc/86/99/51/374869951.db2.gz WVVMWFFRBNIBBJ-MELADBBJSA-N 2 2 288.395 0.964 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000638272809 374875779 /nfs/dbraw/zinc/87/57/79/374875779.db2.gz UPSBXZFBTIESLB-ZDUSSCGKSA-N 2 2 276.384 0.724 20 0 CCADLP Cn1cc[nH+]c1CN1CCN(C(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638276949 374879153 /nfs/dbraw/zinc/87/91/53/374879153.db2.gz HTPBJGUPXAPQRH-ZDUSSCGKSA-N 2 2 289.383 0.112 20 0 CCADLP CC(C)C[NH+]1CCC([NH2+]Cc2cnc(N)nc2N)CC1 ZINC000638348309 374948351 /nfs/dbraw/zinc/94/83/51/374948351.db2.gz HAPJGIURZKMIID-UHFFFAOYSA-N 2 2 278.404 0.512 20 0 CCADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000638403430 375000500 /nfs/dbraw/zinc/00/05/00/375000500.db2.gz TVVOXQDKJKOGHR-CMPLNLGQSA-N 2 2 252.318 0.135 20 0 CCADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000638403430 375000510 /nfs/dbraw/zinc/00/05/10/375000510.db2.gz TVVOXQDKJKOGHR-CMPLNLGQSA-N 2 2 252.318 0.135 20 0 CCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000638491523 375084704 /nfs/dbraw/zinc/08/47/04/375084704.db2.gz GTNAIQJONWSEJJ-QWHCGFSZSA-N 2 2 276.384 0.902 20 0 CCADLP CC[NH2+][C@H](C)C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000638583635 375164429 /nfs/dbraw/zinc/16/44/29/375164429.db2.gz CYOSNHYXDDJOJM-GFCCVEGCSA-N 2 2 293.415 0.856 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000638611370 375191710 /nfs/dbraw/zinc/19/17/10/375191710.db2.gz OPBGMAKCIYOXCK-NSHDSACASA-N 2 2 267.373 0.095 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000638611370 375191713 /nfs/dbraw/zinc/19/17/13/375191713.db2.gz OPBGMAKCIYOXCK-NSHDSACASA-N 2 2 267.373 0.095 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000638615072 375202393 /nfs/dbraw/zinc/20/23/93/375202393.db2.gz VUMGZDVPRGUTHN-KBPBESRZSA-N 2 2 277.368 0.003 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000638615072 375202400 /nfs/dbraw/zinc/20/24/00/375202400.db2.gz VUMGZDVPRGUTHN-KBPBESRZSA-N 2 2 277.368 0.003 20 0 CCADLP [NH3+][C@H](C(=O)NC[C@@H]1COCC[NH2+]1)c1c(F)cccc1F ZINC000638616097 375204831 /nfs/dbraw/zinc/20/48/31/375204831.db2.gz IKCSWUKADOCWAT-PELKAZGASA-N 2 2 285.294 0.069 20 0 CCADLP COCCC[N@H+](C)CC[NH2+]CC(C)(C)N1CCOCC1 ZINC000638707779 375313225 /nfs/dbraw/zinc/31/32/25/375313225.db2.gz BBXNKNWYBYSIFM-UHFFFAOYSA-N 2 2 287.448 0.655 20 0 CCADLP COCCC[N@@H+](C)CC[NH2+]CC(C)(C)N1CCOCC1 ZINC000638707779 375313229 /nfs/dbraw/zinc/31/32/29/375313229.db2.gz BBXNKNWYBYSIFM-UHFFFAOYSA-N 2 2 287.448 0.655 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCOc2cc(F)ccc2C1 ZINC000638793769 375361459 /nfs/dbraw/zinc/36/14/59/375361459.db2.gz HWBVWGCQBASCNO-CYBMUJFWSA-N 2 2 295.358 0.826 20 0 CCADLP [NH3+]CC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000638988722 375501352 /nfs/dbraw/zinc/50/13/52/375501352.db2.gz CIYCWHSZHSPFTL-UHFFFAOYSA-N 2 2 266.370 0.210 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC1(C[NH3+])CCCCC1 ZINC000638998564 375508155 /nfs/dbraw/zinc/50/81/55/375508155.db2.gz RNYPCRFVEGVQQH-LLVKDONJSA-N 3 2 256.394 0.043 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cc3c(cn2)OCCO3)C1 ZINC000639049047 375547547 /nfs/dbraw/zinc/54/75/47/375547547.db2.gz GZWXWAJKSIJOHM-AWEZNQCLSA-N 2 2 279.340 0.009 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cc3c(cn2)OCCO3)C1 ZINC000639049047 375547551 /nfs/dbraw/zinc/54/75/51/375547551.db2.gz GZWXWAJKSIJOHM-AWEZNQCLSA-N 2 2 279.340 0.009 20 0 CCADLP CC(C)(C[NH2+]Cc1cnc(N)nc1N)C[NH+]1CCCC1 ZINC000639101875 375578402 /nfs/dbraw/zinc/57/84/02/375578402.db2.gz FTRULHCJSNMZJO-UHFFFAOYSA-N 2 2 278.404 0.513 20 0 CCADLP CC(=O)NC1C[NH+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000656622112 412836787 /nfs/dbraw/zinc/83/67/87/412836787.db2.gz WSKPZZPIHWTQJN-UHFFFAOYSA-N 2 2 291.395 0.947 20 0 CCADLP CO[C@H](C[NH2+]C[C@H]1CCC[N@@H+]1CCCO)[C@H]1CCOC1 ZINC000639217635 375639386 /nfs/dbraw/zinc/63/93/86/375639386.db2.gz INDDITYVJVALRV-RRFJBIMHSA-N 2 2 286.416 0.474 20 0 CCADLP CO[C@H](C[NH2+]C[C@H]1CCC[N@H+]1CCCO)[C@H]1CCOC1 ZINC000639217635 375639393 /nfs/dbraw/zinc/63/93/93/375639393.db2.gz INDDITYVJVALRV-RRFJBIMHSA-N 2 2 286.416 0.474 20 0 CCADLP CC(C)(C[NH2+]C[C@H]1CCCC[N@@H+]1CCO)N1CCOCC1 ZINC000639219114 375641334 /nfs/dbraw/zinc/64/13/34/375641334.db2.gz PIYKKIIXWFGXDY-OAHLLOKOSA-N 2 2 299.459 0.534 20 0 CCADLP CC(C)(C[NH2+]C[C@H]1CCCC[N@H+]1CCO)N1CCOCC1 ZINC000639219114 375641338 /nfs/dbraw/zinc/64/13/38/375641338.db2.gz PIYKKIIXWFGXDY-OAHLLOKOSA-N 2 2 299.459 0.534 20 0 CCADLP CO[C@H](C[NH2+][C@H]1CCC[N@H+](CCCO)C1)C1CC1 ZINC000639218695 375641419 /nfs/dbraw/zinc/64/14/19/375641419.db2.gz LSZMESOQQGRGLB-UONOGXRCSA-N 2 2 256.390 0.848 20 0 CCADLP CO[C@H](C[NH2+][C@H]1CCC[N@@H+](CCCO)C1)C1CC1 ZINC000639218695 375641425 /nfs/dbraw/zinc/64/14/25/375641425.db2.gz LSZMESOQQGRGLB-UONOGXRCSA-N 2 2 256.390 0.848 20 0 CCADLP CO[C@@]1(C[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)CCOC1 ZINC000639219023 375641741 /nfs/dbraw/zinc/64/17/41/375641741.db2.gz RGUAQRYODYQTEL-UONOGXRCSA-N 2 2 272.389 0.228 20 0 CCADLP CO[C@@]1(C[NH2+]C[C@@H]2CCC[N@H+]2CCCO)CCOC1 ZINC000639219023 375641749 /nfs/dbraw/zinc/64/17/49/375641749.db2.gz RGUAQRYODYQTEL-UONOGXRCSA-N 2 2 272.389 0.228 20 0 CCADLP CO[C@H](C[NH2+]CCc1cn(C)c[nH+]1)[C@H]1CCOC1 ZINC000639255944 375667386 /nfs/dbraw/zinc/66/73/86/375667386.db2.gz QQQKCFFTRFUSMQ-WCQYABFASA-N 2 2 253.346 0.604 20 0 CCADLP c1c[nH+]c(CN2CC[NH+](CCc3cnccn3)CC2)[nH]1 ZINC000639392233 375772581 /nfs/dbraw/zinc/77/25/81/375772581.db2.gz UHMHAHCXFXZMLU-UHFFFAOYSA-N 2 2 272.356 0.560 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCN(c2nc(N)ns2)CC1 ZINC000639538180 375827370 /nfs/dbraw/zinc/82/73/70/375827370.db2.gz ICFWNFUFLRDDQH-UHFFFAOYSA-N 2 2 293.400 0.049 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@H]1CNC[C@H](O)C[NH+]1CCOCC1 ZINC000656701840 412843210 /nfs/dbraw/zinc/84/32/10/412843210.db2.gz DLKXAGZJZAFHQH-KBPBESRZSA-N 2 2 285.432 0.142 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@H]1CNC[C@H](O)C[NH+]1CCOCC1 ZINC000656701840 412843213 /nfs/dbraw/zinc/84/32/13/412843213.db2.gz DLKXAGZJZAFHQH-KBPBESRZSA-N 2 2 285.432 0.142 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC000639661519 375895362 /nfs/dbraw/zinc/89/53/62/375895362.db2.gz ZEIDOPGRFUZOQE-ZDUSSCGKSA-N 2 2 293.415 0.590 20 0 CCADLP Cc1cc(C)c(C[N@H+](CCO)CCOCCO)c(C)[nH+]1 ZINC000639670483 375900853 /nfs/dbraw/zinc/90/08/53/375900853.db2.gz BFGFQCRWTKDADX-UHFFFAOYSA-N 2 2 282.384 0.810 20 0 CCADLP Cc1cc(C)c(C[N@@H+](CCO)CCOCCO)c(C)[nH+]1 ZINC000639670483 375900858 /nfs/dbraw/zinc/90/08/58/375900858.db2.gz BFGFQCRWTKDADX-UHFFFAOYSA-N 2 2 282.384 0.810 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCOC[C@]12CCOC2 ZINC000639624934 375869735 /nfs/dbraw/zinc/86/97/35/375869735.db2.gz LYTIIHLJTLWYRZ-CYBMUJFWSA-N 2 2 251.330 0.454 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCOC[C@]12CCOC2 ZINC000639624934 375869741 /nfs/dbraw/zinc/86/97/41/375869741.db2.gz LYTIIHLJTLWYRZ-CYBMUJFWSA-N 2 2 251.330 0.454 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000639733466 375961451 /nfs/dbraw/zinc/96/14/51/375961451.db2.gz PHBCBRUADVDVOV-GFCCVEGCSA-N 2 2 264.377 0.411 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000639733466 375961457 /nfs/dbraw/zinc/96/14/57/375961457.db2.gz PHBCBRUADVDVOV-GFCCVEGCSA-N 2 2 264.377 0.411 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000639750517 375978102 /nfs/dbraw/zinc/97/81/02/375978102.db2.gz PODJAADRWMEODQ-UHFFFAOYSA-N 2 2 291.359 0.832 20 0 CCADLP O=c1cc([C@@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)[nH]c(=O)[nH]1 ZINC000639714705 375942476 /nfs/dbraw/zinc/94/24/76/375942476.db2.gz BHHLDTJBLLHVSC-LLVKDONJSA-N 2 2 289.339 0.964 20 0 CCADLP O=c1cc([C@@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)[nH]c(=O)[nH]1 ZINC000639714705 375942481 /nfs/dbraw/zinc/94/24/81/375942481.db2.gz BHHLDTJBLLHVSC-LLVKDONJSA-N 2 2 289.339 0.964 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000639764356 375992660 /nfs/dbraw/zinc/99/26/60/375992660.db2.gz VJFOFFIELBFYHC-INIZCTEOSA-N 2 2 291.395 0.674 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000639764356 375992666 /nfs/dbraw/zinc/99/26/66/375992666.db2.gz VJFOFFIELBFYHC-INIZCTEOSA-N 2 2 291.395 0.674 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)C[C@H](C)O1 ZINC000639763294 375990823 /nfs/dbraw/zinc/99/08/23/375990823.db2.gz PTMOZMZSZJUZSF-OWCLPIDISA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)C[C@H](C)O1 ZINC000639763294 375990832 /nfs/dbraw/zinc/99/08/32/375990832.db2.gz PTMOZMZSZJUZSF-OWCLPIDISA-N 2 2 299.459 0.484 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2c[nH]nc2C)CC1 ZINC000639966774 376159153 /nfs/dbraw/zinc/15/91/53/376159153.db2.gz DYYBTTSSJXJWCJ-CYBMUJFWSA-N 2 2 293.415 0.703 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)Cc2c[nH]nc2C)CC1 ZINC000639966774 376159159 /nfs/dbraw/zinc/15/91/59/376159159.db2.gz DYYBTTSSJXJWCJ-CYBMUJFWSA-N 2 2 293.415 0.703 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)CC1CCCC1 ZINC000640051067 376216461 /nfs/dbraw/zinc/21/64/61/376216461.db2.gz FMSRMEFIXUEZIY-HNNXBMFYSA-N 2 2 297.443 0.633 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)CC1CCCC1 ZINC000640051067 376216465 /nfs/dbraw/zinc/21/64/65/376216465.db2.gz FMSRMEFIXUEZIY-HNNXBMFYSA-N 2 2 297.443 0.633 20 0 CCADLP Cc1noc(C)c1CC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051056 376216486 /nfs/dbraw/zinc/21/64/86/376216486.db2.gz DXVWLQZLKNNETJ-UHFFFAOYSA-N 2 2 294.399 0.540 20 0 CCADLP Cc1noc(C)c1CC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051056 376216490 /nfs/dbraw/zinc/21/64/90/376216490.db2.gz DXVWLQZLKNNETJ-UHFFFAOYSA-N 2 2 294.399 0.540 20 0 CCADLP COCCn1cc(C[NH2+]CC2([NH3+])CCCC2)cn1 ZINC000656788542 412851604 /nfs/dbraw/zinc/85/16/04/412851604.db2.gz UJOHGMMWWPOUFF-UHFFFAOYSA-N 2 2 252.362 0.891 20 0 CCADLP C[C@H](C(=O)N1CCC2(CC[NH2+]C2)CC1)[NH+]1CCN(C)CC1 ZINC000576281118 335182460 /nfs/dbraw/zinc/18/24/60/335182460.db2.gz UFSCWHHOHUCLOQ-CQSZACIVSA-N 2 2 294.443 0.224 20 0 CCADLP CC[NH+]1CCC(NC(=O)CCn2cc[nH+]c2)CC1 ZINC000263640753 190071414 /nfs/dbraw/zinc/07/14/14/190071414.db2.gz ASFABRISPBRCNY-UHFFFAOYSA-N 2 2 250.346 0.874 20 0 CCADLP Cc1[nH+]ccn1CCn1cc(CC[NH+]2CCOCC2)nn1 ZINC000640986276 376651041 /nfs/dbraw/zinc/65/10/41/376651041.db2.gz SXIZFUVNUKZUCK-UHFFFAOYSA-N 2 2 290.371 0.358 20 0 CCADLP C[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C(F)F ZINC000640997344 376657518 /nfs/dbraw/zinc/65/75/18/376657518.db2.gz PCGWGIWWIVGXGG-JTQLQIEISA-N 2 2 280.363 0.823 20 0 CCADLP C[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C(F)F ZINC000640997344 376657524 /nfs/dbraw/zinc/65/75/24/376657524.db2.gz PCGWGIWWIVGXGG-JTQLQIEISA-N 2 2 280.363 0.823 20 0 CCADLP OC[C@H]1CCC[N@@H+]1Cc1cn(CCCn2cc[nH+]c2)nn1 ZINC000641055035 376724065 /nfs/dbraw/zinc/72/40/65/376724065.db2.gz MCLUPBHSQRWSQY-CQSZACIVSA-N 2 2 290.371 0.522 20 0 CCADLP OC[C@H]1CCC[N@H+]1Cc1cn(CCCn2cc[nH+]c2)nn1 ZINC000641055035 376724069 /nfs/dbraw/zinc/72/40/69/376724069.db2.gz MCLUPBHSQRWSQY-CQSZACIVSA-N 2 2 290.371 0.522 20 0 CCADLP C[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C(F)F ZINC000641014274 376671629 /nfs/dbraw/zinc/67/16/29/376671629.db2.gz DODAJKXOBVECLK-JTQLQIEISA-N 2 2 292.374 0.965 20 0 CCADLP CCc1[nH+]ccn1Cc1cn(CC[NH+]2CCOCC2)nn1 ZINC000641032763 376689749 /nfs/dbraw/zinc/68/97/49/376689749.db2.gz FFSUAOZZCLRQQA-UHFFFAOYSA-N 2 2 290.371 0.418 20 0 CCADLP c1c(CC[NH+]2CCCCC2)nnn1CC[NH+]1CCOCC1 ZINC000641033634 376691505 /nfs/dbraw/zinc/69/15/05/376691505.db2.gz RFLOAEFMYVHDRA-UHFFFAOYSA-N 2 2 293.415 0.639 20 0 CCADLP COc1cc[nH+]cc1Cn1cc(COCC[NH3+])nn1 ZINC000641169062 376837285 /nfs/dbraw/zinc/83/72/85/376837285.db2.gz SSRQENRWPNQFCE-UHFFFAOYSA-N 2 2 263.301 0.205 20 0 CCADLP Cn1c[nH+]cc1CCn1cc(C[N@@H+]2CCC[C@H]2CO)nn1 ZINC000641172352 376841010 /nfs/dbraw/zinc/84/10/10/376841010.db2.gz DKSDVCGXYUIIQC-AWEZNQCLSA-N 2 2 290.371 0.211 20 0 CCADLP Cn1c[nH+]cc1CCn1cc(C[N@H+]2CCC[C@H]2CO)nn1 ZINC000641172352 376841013 /nfs/dbraw/zinc/84/10/13/376841013.db2.gz DKSDVCGXYUIIQC-AWEZNQCLSA-N 2 2 290.371 0.211 20 0 CCADLP COC[C@@H]([NH3+])Cc1cn(Cc2ccc(N(C)C)[nH+]c2)nn1 ZINC000641178558 376852065 /nfs/dbraw/zinc/85/20/65/376852065.db2.gz XXVCZZFZIHWWSN-LBPRGKRZSA-N 2 2 290.371 0.304 20 0 CCADLP CC[N@H+](C)C[C@@H](O)Cn1cc(C[NH+]2CCSCC2)nn1 ZINC000641224476 376918704 /nfs/dbraw/zinc/91/87/04/376918704.db2.gz ZUOQDBRGVRJYDB-CYBMUJFWSA-N 2 2 299.444 0.140 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)Cn1cc(C[NH+]2CCSCC2)nn1 ZINC000641224476 376918713 /nfs/dbraw/zinc/91/87/13/376918713.db2.gz ZUOQDBRGVRJYDB-CYBMUJFWSA-N 2 2 299.444 0.140 20 0 CCADLP O=S(=O)(CCn1cc[nH+]c1)NCC[NH+]1CCCCC1 ZINC000641278669 376961826 /nfs/dbraw/zinc/96/18/26/376961826.db2.gz GUJCDKAWKJQWAF-UHFFFAOYSA-N 2 2 286.401 0.288 20 0 CCADLP c1cc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c[nH]1 ZINC000641788637 377463442 /nfs/dbraw/zinc/46/34/42/377463442.db2.gz SLJVYGPSDAHSMP-INIZCTEOSA-N 2 2 292.427 0.901 20 0 CCADLP c1c[nH]c(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)n1 ZINC000641789749 377463995 /nfs/dbraw/zinc/46/39/95/377463995.db2.gz SOIRWYUKRHKZAC-CQSZACIVSA-N 2 2 293.415 0.296 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC000641801912 377470662 /nfs/dbraw/zinc/47/06/62/377470662.db2.gz GREYZZPZQXEEAC-ZJUUUORDSA-N 2 2 261.329 0.238 20 0 CCADLP Cc1cc(NC(=O)C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)no1 ZINC000641806009 377478264 /nfs/dbraw/zinc/47/82/64/377478264.db2.gz PVZRYXGLYZJEDP-IUCAKERBSA-N 2 2 252.318 0.059 20 0 CCADLP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CCC[N@H+](C)C(C)C ZINC000422965915 249011852 /nfs/dbraw/zinc/01/18/52/249011852.db2.gz QCKJAWSMMFGUTP-STQMWFEESA-N 2 2 271.405 0.600 20 0 CCADLP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CCC[N@@H+](C)C(C)C ZINC000422965915 249011853 /nfs/dbraw/zinc/01/18/53/249011853.db2.gz QCKJAWSMMFGUTP-STQMWFEESA-N 2 2 271.405 0.600 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1NCCC[N@H+](C)C(C)C ZINC000422965915 249011856 /nfs/dbraw/zinc/01/18/56/249011856.db2.gz QCKJAWSMMFGUTP-STQMWFEESA-N 2 2 271.405 0.600 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1NCCC[N@@H+](C)C(C)C ZINC000422965915 249011857 /nfs/dbraw/zinc/01/18/57/249011857.db2.gz QCKJAWSMMFGUTP-STQMWFEESA-N 2 2 271.405 0.600 20 0 CCADLP O=C([C@@H]1COCC[NH2+]1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000430680210 249022998 /nfs/dbraw/zinc/02/29/98/249022998.db2.gz XWMRLBGLVWVUML-QWRGUYRKSA-N 2 2 264.329 0.104 20 0 CCADLP Cc1cc(N)cc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000641994099 377529318 /nfs/dbraw/zinc/52/93/18/377529318.db2.gz OQWGIAIDOBLQQD-CQSZACIVSA-N 2 2 291.399 0.362 20 0 CCADLP Cc1cc(N)cc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000641994099 377529325 /nfs/dbraw/zinc/52/93/25/377529325.db2.gz OQWGIAIDOBLQQD-CQSZACIVSA-N 2 2 291.399 0.362 20 0 CCADLP CC1(C(=O)NCc2ccc[nH+]c2N2CCOCC2)C[NH2+]C1 ZINC000514600235 249092047 /nfs/dbraw/zinc/09/20/47/249092047.db2.gz LJYWANJCSSGEFE-UHFFFAOYSA-N 2 2 290.367 0.144 20 0 CCADLP C[C@@H](CC(=O)N1CCO[C@@H](C[NH3+])C1)n1cc[nH+]c1 ZINC000514611121 249093807 /nfs/dbraw/zinc/09/38/07/249093807.db2.gz AURVPONEAXAERE-QWRGUYRKSA-N 2 2 252.318 0.020 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000514619846 249094827 /nfs/dbraw/zinc/09/48/27/249094827.db2.gz RYOBQIOQVUVXFG-QWHCGFSZSA-N 2 2 275.356 0.467 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000514619846 249094829 /nfs/dbraw/zinc/09/48/29/249094829.db2.gz RYOBQIOQVUVXFG-QWHCGFSZSA-N 2 2 275.356 0.467 20 0 CCADLP CCC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CC(C)C2)CC1 ZINC000515354695 249129848 /nfs/dbraw/zinc/12/98/48/249129848.db2.gz FZSGQLXGRCRKEF-CYBMUJFWSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@@H](O)CNc1cc(N2C[C@H]3CCC[C@@H](C2)[NH2+]3)nc[nH+]1 ZINC000515406217 249132812 /nfs/dbraw/zinc/13/28/12/249132812.db2.gz DAFXQKDMYSDXTJ-UTUOFQBUSA-N 2 2 277.372 0.600 20 0 CCADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCCc1cn(C)c[nH+]1 ZINC000515644619 249140830 /nfs/dbraw/zinc/14/08/30/249140830.db2.gz DYUDHSZEBIKBDM-ZJUUUORDSA-N 2 2 253.350 0.388 20 0 CCADLP Cc1nc2ccccn2c1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000515671725 249141874 /nfs/dbraw/zinc/14/18/74/249141874.db2.gz UQWYMRCDJMKYIE-QWHCGFSZSA-N 2 2 299.378 0.387 20 0 CCADLP Cc1nc2ccccn2c1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000515671725 249141875 /nfs/dbraw/zinc/14/18/75/249141875.db2.gz UQWYMRCDJMKYIE-QWHCGFSZSA-N 2 2 299.378 0.387 20 0 CCADLP C[C@H](CCC[NH3+])NC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000516492637 249168093 /nfs/dbraw/zinc/16/80/93/249168093.db2.gz QJJNALTVHDQXDC-SNVBAGLBSA-N 2 2 289.339 0.516 20 0 CCADLP [NH3+]CCC1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000516932291 249191008 /nfs/dbraw/zinc/19/10/08/249191008.db2.gz IPHRDBRYXSPJRY-UHFFFAOYSA-N 2 2 265.361 0.654 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000516959574 249192686 /nfs/dbraw/zinc/19/26/86/249192686.db2.gz XYZLPFAUNGLNHD-ZIAGYGMSSA-N 2 2 298.431 0.396 20 0 CCADLP COc1cc2c(cc1C[N@H+](C)C[C@@H](O)C[NH3+])O[C@@H](C)C2 ZINC000516957981 249193204 /nfs/dbraw/zinc/19/32/04/249193204.db2.gz ORPLWIJVGMOHTF-GWCFXTLKSA-N 2 2 280.368 0.770 20 0 CCADLP COc1cc2c(cc1C[N@@H+](C)C[C@@H](O)C[NH3+])O[C@@H](C)C2 ZINC000516957981 249193207 /nfs/dbraw/zinc/19/32/07/249193207.db2.gz ORPLWIJVGMOHTF-GWCFXTLKSA-N 2 2 280.368 0.770 20 0 CCADLP [NH3+]Cc1nnc(-c2ccc(NC(=O)[C@@H]3CCC[NH2+]3)cc2)[nH]1 ZINC000517938328 249235892 /nfs/dbraw/zinc/23/58/92/249235892.db2.gz NBKMHXULTVFHSH-NSHDSACASA-N 2 2 286.339 0.621 20 0 CCADLP C[NH+]1CCN(c2ccc(NCc3cnccn3)[nH+]c2)CC1 ZINC000518117975 249240207 /nfs/dbraw/zinc/24/02/07/249240207.db2.gz ZJKZWUUBPPDTER-UHFFFAOYSA-N 2 2 284.367 0.657 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000517607422 249225471 /nfs/dbraw/zinc/22/54/71/249225471.db2.gz NXQOESQKTPZFTM-ZWNOBZJWSA-N 2 2 262.357 0.562 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000517607422 249225474 /nfs/dbraw/zinc/22/54/74/249225474.db2.gz NXQOESQKTPZFTM-ZWNOBZJWSA-N 2 2 262.357 0.562 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000517756705 249229682 /nfs/dbraw/zinc/22/96/82/249229682.db2.gz LIFCSTXSSJWCQF-NHYWBVRUSA-N 2 2 292.383 0.161 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000517756705 249229685 /nfs/dbraw/zinc/22/96/85/249229685.db2.gz LIFCSTXSSJWCQF-NHYWBVRUSA-N 2 2 292.383 0.161 20 0 CCADLP C(C[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1)OC[C@@H]1CCCO1 ZINC000643066872 377711040 /nfs/dbraw/zinc/71/10/40/377711040.db2.gz UQJHDPDTNCBDAZ-RDBSUJKOSA-N 2 2 254.374 0.866 20 0 CCADLP C(C[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1)OC[C@@H]1CCCO1 ZINC000643066872 377711049 /nfs/dbraw/zinc/71/10/49/377711049.db2.gz UQJHDPDTNCBDAZ-RDBSUJKOSA-N 2 2 254.374 0.866 20 0 CCADLP CCS(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000657070960 412883212 /nfs/dbraw/zinc/88/32/12/412883212.db2.gz CHBYVCOBTDBJCH-NSHDSACASA-N 2 2 265.423 0.198 20 0 CCADLP CCS(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000657070960 412883213 /nfs/dbraw/zinc/88/32/13/412883213.db2.gz CHBYVCOBTDBJCH-NSHDSACASA-N 2 2 265.423 0.198 20 0 CCADLP Cc1c[nH+]ccc1CC[NH2+]C[C@H](C)S(C)(=O)=O ZINC000574684336 335039391 /nfs/dbraw/zinc/03/93/91/335039391.db2.gz LGWMPZFWSMKGNA-NSHDSACASA-N 2 2 256.371 0.955 20 0 CCADLP CCC[C@@H](C)S(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000657090341 412885522 /nfs/dbraw/zinc/88/55/22/412885522.db2.gz CBOOZZBMDOCGFC-CYBMUJFWSA-N 2 2 293.477 0.978 20 0 CCADLP CCC[C@@H](C)S(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000657090341 412885525 /nfs/dbraw/zinc/88/55/25/412885525.db2.gz CBOOZZBMDOCGFC-CYBMUJFWSA-N 2 2 293.477 0.978 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1ccoc1 ZINC000657091321 412886325 /nfs/dbraw/zinc/88/63/25/412886325.db2.gz MLJUTVASBQLDCB-UHFFFAOYSA-N 2 2 289.401 0.441 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1ccoc1 ZINC000657091321 412886327 /nfs/dbraw/zinc/88/63/27/412886327.db2.gz MLJUTVASBQLDCB-UHFFFAOYSA-N 2 2 289.401 0.441 20 0 CCADLP CC[C@H](C)CS(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000657090601 412885736 /nfs/dbraw/zinc/88/57/36/412885736.db2.gz DPNPLDGDHKHLRF-ZDUSSCGKSA-N 2 2 293.477 0.835 20 0 CCADLP CC[C@H](C)CS(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000657090601 412885737 /nfs/dbraw/zinc/88/57/37/412885737.db2.gz DPNPLDGDHKHLRF-ZDUSSCGKSA-N 2 2 293.477 0.835 20 0 CCADLP CCCS(=O)(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000657092978 412886598 /nfs/dbraw/zinc/88/65/98/412886598.db2.gz VOBFHCSERYVKMQ-UHFFFAOYSA-N 2 2 265.423 0.199 20 0 CCADLP CCCS(=O)(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000657092978 412886600 /nfs/dbraw/zinc/88/66/00/412886600.db2.gz VOBFHCSERYVKMQ-UHFFFAOYSA-N 2 2 265.423 0.199 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CCCC(=O)NC2CC2)n1C ZINC000569710471 291702879 /nfs/dbraw/zinc/70/28/79/291702879.db2.gz RVTNIRGKVIDERX-UHFFFAOYSA-N 2 2 250.346 0.877 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000278690244 194104946 /nfs/dbraw/zinc/10/49/46/194104946.db2.gz QVEHPRQYLWYVGK-AWEZNQCLSA-N 2 2 294.399 0.734 20 0 CCADLP CCOC(=O)[C@H](CC)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000570145674 291736483 /nfs/dbraw/zinc/73/64/83/291736483.db2.gz MCWIUMYVWIWCJM-NSHDSACASA-N 2 2 266.345 0.873 20 0 CCADLP O[C@H](C[NH2+]Cc1c[nH+]c2n1CCCC2)CN1CCOCC1 ZINC000570202861 291740360 /nfs/dbraw/zinc/74/03/60/291740360.db2.gz TUHMJMZJMPZSDD-CQSZACIVSA-N 2 2 294.399 0.002 20 0 CCADLP O=C1CCCN1CCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657292393 412952940 /nfs/dbraw/zinc/95/29/40/412952940.db2.gz JSGXALIQQMUTCN-UHFFFAOYSA-N 2 2 262.357 0.931 20 0 CCADLP C[C@H]1CN(C(=O)NCCn2cc[nH+]c2)[C@@H](C)C[NH2+]1 ZINC000334909241 207275660 /nfs/dbraw/zinc/27/56/60/207275660.db2.gz MHGSQSHMVWVOOV-QWRGUYRKSA-N 2 2 251.334 0.275 20 0 CCADLP COCC[N@H+](C)CCC[NH2+]Cc1cc2n(n1)CCC2 ZINC000657308885 412958892 /nfs/dbraw/zinc/95/88/92/412958892.db2.gz ZWRASBNOCFJFDD-UHFFFAOYSA-N 2 2 266.389 0.887 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+]Cc1cc2n(n1)CCC2 ZINC000657308885 412958901 /nfs/dbraw/zinc/95/89/01/412958901.db2.gz ZWRASBNOCFJFDD-UHFFFAOYSA-N 2 2 266.389 0.887 20 0 CCADLP C[NH+]1CCN(C(=O)CC[NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000657346575 412964959 /nfs/dbraw/zinc/96/49/59/412964959.db2.gz JKFRPQPCDUPUEB-UHFFFAOYSA-N 2 2 291.399 0.083 20 0 CCADLP C[C@@H]1C[C@H]1N1C[C@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)CC1=O ZINC000571622158 291826036 /nfs/dbraw/zinc/82/60/36/291826036.db2.gz LHYNTRGNJVHQHO-NQBHXWOUSA-N 2 2 291.399 0.585 20 0 CCADLP COCC[NH2+]CC(=O)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000423830846 533017657 /nfs/dbraw/zinc/01/76/57/533017657.db2.gz VDYCKBIBOGAUNH-UHFFFAOYSA-N 2 2 288.351 0.929 20 0 CCADLP C[NH2+][C@H]1CCCN(C(=O)NCc2c[nH+]ccc2OC)C1 ZINC000418220492 533020279 /nfs/dbraw/zinc/02/02/79/533020279.db2.gz UQQGZEBTSMDYPN-LBPRGKRZSA-N 2 2 278.356 0.984 20 0 CCADLP C[NH+]1CCC(O)(C[NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657372283 412977654 /nfs/dbraw/zinc/97/76/54/412977654.db2.gz RXNRQPQRQVXWIS-UHFFFAOYSA-N 3 2 264.373 0.376 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000418221905 533078287 /nfs/dbraw/zinc/07/82/87/533078287.db2.gz WIWBBTFVOXYLQU-QWRGUYRKSA-N 2 2 278.356 0.969 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cnn(C)c1C ZINC000574820026 335050177 /nfs/dbraw/zinc/05/01/77/335050177.db2.gz NBDCHXWWQDDAOF-DGCLKSJQSA-N 2 2 284.404 0.318 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cnn(C)c1C ZINC000574820026 335050178 /nfs/dbraw/zinc/05/01/78/335050178.db2.gz NBDCHXWWQDDAOF-DGCLKSJQSA-N 2 2 284.404 0.318 20 0 CCADLP COc1cncc(/C=C\C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000493090061 533122954 /nfs/dbraw/zinc/12/29/54/533122954.db2.gz FBFFAJIIIACUEE-SCOBNMCVSA-N 2 2 290.367 0.205 20 0 CCADLP COc1cncc(/C=C\C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000493090061 533122957 /nfs/dbraw/zinc/12/29/57/533122957.db2.gz FBFFAJIIIACUEE-SCOBNMCVSA-N 2 2 290.367 0.205 20 0 CCADLP CC[N@@H+]1CCCN(C(=O)[C@@H](C)[NH+]2CCSCC2)CC1 ZINC000335739702 285216551 /nfs/dbraw/zinc/21/65/51/285216551.db2.gz IBTQXTVBQJXLTH-CYBMUJFWSA-N 2 2 285.457 0.978 20 0 CCADLP CC[N@H+]1CCCN(C(=O)[C@@H](C)[NH+]2CCSCC2)CC1 ZINC000335739702 285216553 /nfs/dbraw/zinc/21/65/53/285216553.db2.gz IBTQXTVBQJXLTH-CYBMUJFWSA-N 2 2 285.457 0.978 20 0 CCADLP C[NH+]1CCC(CCO)([NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000657500264 413011060 /nfs/dbraw/zinc/01/10/60/413011060.db2.gz MKYJHUFGAVVYSB-UHFFFAOYSA-N 2 2 278.400 0.766 20 0 CCADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2nc(N)nc(N(C)C)n2)C[C@H]1C[NH3+] ZINC000397322325 285236366 /nfs/dbraw/zinc/23/63/66/285236366.db2.gz TXLAEVGUSQVQFT-GMTAPVOTSA-N 2 2 293.419 0.155 20 0 CCADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc(N)nc(N(C)C)n2)C[C@H]1C[NH3+] ZINC000397322325 285236367 /nfs/dbraw/zinc/23/63/67/285236367.db2.gz TXLAEVGUSQVQFT-GMTAPVOTSA-N 2 2 293.419 0.155 20 0 CCADLP O=C1NCC[C@@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000657523704 413016666 /nfs/dbraw/zinc/01/66/66/413016666.db2.gz HXNCZZKHFNGJRG-NSHDSACASA-N 2 2 262.338 0.912 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCOC2(CCCC2)C1 ZINC000521640517 285283625 /nfs/dbraw/zinc/28/36/25/285283625.db2.gz WQWIIIDTXXDZKT-ZDUSSCGKSA-N 2 2 256.390 0.944 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCOC2(CCCC2)C1 ZINC000521640517 285283629 /nfs/dbraw/zinc/28/36/29/285283629.db2.gz WQWIIIDTXXDZKT-ZDUSSCGKSA-N 2 2 256.390 0.944 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCOC2(CCCC2)C1 ZINC000521640517 285283634 /nfs/dbraw/zinc/28/36/34/285283634.db2.gz WQWIIIDTXXDZKT-ZDUSSCGKSA-N 2 2 256.390 0.944 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCOC2(CCCC2)C1 ZINC000521640517 285283635 /nfs/dbraw/zinc/28/36/35/285283635.db2.gz WQWIIIDTXXDZKT-ZDUSSCGKSA-N 2 2 256.390 0.944 20 0 CCADLP O=C(CC[C@@H]1CC[NH2+]C1)NCCNc1cccc[nH+]1 ZINC000574873588 335054001 /nfs/dbraw/zinc/05/40/01/335054001.db2.gz XOOFITQAHSJZAQ-GFCCVEGCSA-N 2 2 262.357 0.999 20 0 CCADLP COC[C@@]1(C(=O)NCc2ccc(N(C)C)[nH+]c2)CC[NH2+]C1 ZINC000574873330 335053899 /nfs/dbraw/zinc/05/38/99/335053899.db2.gz MRIGJOBBLBWJRL-OAHLLOKOSA-N 2 2 292.383 0.390 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)[C@H]2CCNC2=O)CC1 ZINC000328802423 285298040 /nfs/dbraw/zinc/29/80/40/285298040.db2.gz AYQCOIIIUYLXIE-NEPJUHHUSA-N 2 2 282.388 0.200 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)[C@H]2CCNC2=O)CC1 ZINC000328802423 285298045 /nfs/dbraw/zinc/29/80/45/285298045.db2.gz AYQCOIIIUYLXIE-NEPJUHHUSA-N 2 2 282.388 0.200 20 0 CCADLP 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VCAAEGKLKQBTAJ-OLZOCXBDSA-N 2 2 255.406 0.515 20 0 CCADLP C[C@@H]1C[C@@H](NCC[NH+]2CCC(O)CC2)CC[N@H+]1C ZINC000321418162 389122250 /nfs/dbraw/zinc/12/22/50/389122250.db2.gz VCAAEGKLKQBTAJ-OLZOCXBDSA-N 2 2 255.406 0.515 20 0 CCADLP O[C@@H]1COC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000323689181 389126629 /nfs/dbraw/zinc/12/66/29/389126629.db2.gz PEHBIQHHHJCPBZ-QWHCGFSZSA-N 2 2 263.341 0.400 20 0 CCADLP CCC[NH+]1CCC([NH+]2CCN(C(N)=O)CC2)CC1 ZINC000113573714 389129785 /nfs/dbraw/zinc/12/97/85/389129785.db2.gz DDUAISCSGOMLHT-UHFFFAOYSA-N 2 2 254.378 0.557 20 0 CCADLP C[N@H+](CCOCC[NH3+])Cc1ccc(S(C)(=O)=O)cc1 ZINC000357103807 389131095 /nfs/dbraw/zinc/13/10/95/389131095.db2.gz LBQOBVIKAQUKSB-UHFFFAOYSA-N 2 2 286.397 0.497 20 0 CCADLP C[N@@H+](CCOCC[NH3+])Cc1ccc(S(C)(=O)=O)cc1 ZINC000357103807 389131098 /nfs/dbraw/zinc/13/10/98/389131098.db2.gz LBQOBVIKAQUKSB-UHFFFAOYSA-N 2 2 286.397 0.497 20 0 CCADLP C[C@@H](CO)[N@H+](CC(=O)N1CC[NH+](C)CC1)C1CCCC1 ZINC000357624448 389136843 /nfs/dbraw/zinc/13/68/43/389136843.db2.gz VQWHNUBPPIAKIA-ZDUSSCGKSA-N 2 2 283.416 0.386 20 0 CCADLP C[C@@H](CO)[N@@H+](CC(=O)N1CC[NH+](C)CC1)C1CCCC1 ZINC000357624448 389136845 /nfs/dbraw/zinc/13/68/45/389136845.db2.gz VQWHNUBPPIAKIA-ZDUSSCGKSA-N 2 2 283.416 0.386 20 0 CCADLP C[N@@H+](CC(=O)NCC(F)(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000118843857 389137457 /nfs/dbraw/zinc/13/74/57/389137457.db2.gz INGXMXDXUATVDC-JTQLQIEISA-N 2 2 281.322 0.939 20 0 CCADLP C[N@H+](CC(=O)NCC(F)(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000118843857 389137459 /nfs/dbraw/zinc/13/74/59/389137459.db2.gz INGXMXDXUATVDC-JTQLQIEISA-N 2 2 281.322 0.939 20 0 CCADLP C[NH+](CC(=O)NCC(F)(F)F)C[C@H]1CCC[N@H+](C)C1 ZINC000118843857 389137462 /nfs/dbraw/zinc/13/74/62/389137462.db2.gz INGXMXDXUATVDC-JTQLQIEISA-N 2 2 281.322 0.939 20 0 CCADLP C[NH+](CC(=O)NCC(F)(F)F)C[C@H]1CCC[N@@H+](C)C1 ZINC000118843857 389137464 /nfs/dbraw/zinc/13/74/64/389137464.db2.gz INGXMXDXUATVDC-JTQLQIEISA-N 2 2 281.322 0.939 20 0 CCADLP C[C@H]1CC[N@H+](Cc2nc(N)nc(N)n2)C[C@@H]1n1cc[nH+]c1 ZINC000129651079 389191642 /nfs/dbraw/zinc/19/16/42/389191642.db2.gz CSJJANCSWUCFJG-UWVGGRQHSA-N 2 2 288.359 0.316 20 0 CCADLP C[C@H]1CC[N@@H+](Cc2nc(N)nc(N)n2)C[C@@H]1n1cc[nH+]c1 ZINC000129651079 389191645 /nfs/dbraw/zinc/19/16/45/389191645.db2.gz CSJJANCSWUCFJG-UWVGGRQHSA-N 2 2 288.359 0.316 20 0 CCADLP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000342255808 389203290 /nfs/dbraw/zinc/20/32/90/389203290.db2.gz UWRYFAGSHPQSHV-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000342255808 389203291 /nfs/dbraw/zinc/20/32/91/389203291.db2.gz UWRYFAGSHPQSHV-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@H](C(=O)NCC(C)(C)[NH+]1CCOCC1)[NH+](C)C ZINC000124518480 389161630 /nfs/dbraw/zinc/16/16/30/389161630.db2.gz NQEGBHSIAOKSMW-GFCCVEGCSA-N 2 2 271.405 0.554 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000245445436 389208336 /nfs/dbraw/zinc/20/83/36/389208336.db2.gz YWJIDMBKYDRIJI-VXGBXAGGSA-N 2 2 284.404 0.494 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000245445436 389208339 /nfs/dbraw/zinc/20/83/39/389208339.db2.gz YWJIDMBKYDRIJI-VXGBXAGGSA-N 2 2 284.404 0.494 20 0 CCADLP CCNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000245445436 389208342 /nfs/dbraw/zinc/20/83/42/389208342.db2.gz YWJIDMBKYDRIJI-VXGBXAGGSA-N 2 2 284.404 0.494 20 0 CCADLP CCNC(=O)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000245445436 389208344 /nfs/dbraw/zinc/20/83/44/389208344.db2.gz YWJIDMBKYDRIJI-VXGBXAGGSA-N 2 2 284.404 0.494 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCC[C@@H]2C(N)=O)CC[N@@H+]1C ZINC000361221102 389210040 /nfs/dbraw/zinc/21/00/40/389210040.db2.gz PWHACXQJIZPFFV-MGPQQGTHSA-N 3 2 282.432 0.399 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCC[C@@H]2C(N)=O)CC[N@H+]1C ZINC000361221102 389210042 /nfs/dbraw/zinc/21/00/42/389210042.db2.gz PWHACXQJIZPFFV-MGPQQGTHSA-N 3 2 282.432 0.399 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)CC[NH+]1C ZINC000361221102 389210045 /nfs/dbraw/zinc/21/00/45/389210045.db2.gz PWHACXQJIZPFFV-MGPQQGTHSA-N 3 2 282.432 0.399 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)CC[NH+]1C ZINC000361221102 389210047 /nfs/dbraw/zinc/21/00/47/389210047.db2.gz PWHACXQJIZPFFV-MGPQQGTHSA-N 3 2 282.432 0.399 20 0 CCADLP COCCOC[C@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000131503881 389214595 /nfs/dbraw/zinc/21/45/95/389214595.db2.gz SRFIDETVQWRHRH-ZDUSSCGKSA-N 2 2 253.346 0.868 20 0 CCADLP COCCOC[C@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000131503881 389214596 /nfs/dbraw/zinc/21/45/96/389214596.db2.gz SRFIDETVQWRHRH-ZDUSSCGKSA-N 2 2 253.346 0.868 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000342601700 389228294 /nfs/dbraw/zinc/22/82/94/389228294.db2.gz PLPQPIQZTWHETF-JQWIXIFHSA-N 2 2 279.388 0.300 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000342601700 389228298 /nfs/dbraw/zinc/22/82/98/389228298.db2.gz PLPQPIQZTWHETF-JQWIXIFHSA-N 2 2 279.388 0.300 20 0 CCADLP CC1CC[NH+](C[C@H]2CCC[N@H+](CC(N)=O)C2)CC1 ZINC000154734662 389314925 /nfs/dbraw/zinc/31/49/25/389314925.db2.gz RPXLHIADEAJSGV-CYBMUJFWSA-N 2 2 253.390 0.916 20 0 CCADLP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC(N)=O)C2)CC1 ZINC000154734662 389314927 /nfs/dbraw/zinc/31/49/27/389314927.db2.gz RPXLHIADEAJSGV-CYBMUJFWSA-N 2 2 253.390 0.916 20 0 CCADLP CC1CC[NH+](C[C@@H]2CCC[N@H+](CC(N)=O)C2)CC1 ZINC000154734555 389314981 /nfs/dbraw/zinc/31/49/81/389314981.db2.gz RPXLHIADEAJSGV-ZDUSSCGKSA-N 2 2 253.390 0.916 20 0 CCADLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC(N)=O)C2)CC1 ZINC000154734555 389314984 /nfs/dbraw/zinc/31/49/84/389314984.db2.gz RPXLHIADEAJSGV-ZDUSSCGKSA-N 2 2 253.390 0.916 20 0 CCADLP COCC[N@H+](C)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000156356633 389325186 /nfs/dbraw/zinc/32/51/86/389325186.db2.gz LGGIJAMDGXRYNH-GFCCVEGCSA-N 2 2 280.372 0.140 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000156356633 389325189 /nfs/dbraw/zinc/32/51/89/389325189.db2.gz LGGIJAMDGXRYNH-GFCCVEGCSA-N 2 2 280.372 0.140 20 0 CCADLP CC(C)[C@@H](O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367584476 389334654 /nfs/dbraw/zinc/33/46/54/389334654.db2.gz JWFWDBDRVBIITI-LSDHHAIUSA-N 2 2 297.443 0.630 20 0 CCADLP CC(C)[C@@H](O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367584476 389334660 /nfs/dbraw/zinc/33/46/60/389334660.db2.gz JWFWDBDRVBIITI-LSDHHAIUSA-N 2 2 297.443 0.630 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000261677712 389274815 /nfs/dbraw/zinc/27/48/15/389274815.db2.gz HNDHJUBWHCXVLX-GFCCVEGCSA-N 2 2 271.405 0.588 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000261677712 389274816 /nfs/dbraw/zinc/27/48/16/389274816.db2.gz HNDHJUBWHCXVLX-GFCCVEGCSA-N 2 2 271.405 0.588 20 0 CCADLP CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1CC(C)(C)[NH3+] ZINC000261965456 389278785 /nfs/dbraw/zinc/27/87/85/389278785.db2.gz PSZSYBRBQFXQHS-GHMZBOCLSA-N 2 2 258.362 0.766 20 0 CCADLP CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1CC(C)(C)[NH3+] ZINC000261965456 389278786 /nfs/dbraw/zinc/27/87/86/389278786.db2.gz PSZSYBRBQFXQHS-GHMZBOCLSA-N 2 2 258.362 0.766 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCN1CCOC(C)(C)C1 ZINC000344192723 389279143 /nfs/dbraw/zinc/27/91/43/389279143.db2.gz XLYLXLSSXFSYAK-OLZOCXBDSA-N 2 2 255.406 0.637 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCN1CCOC(C)(C)C1 ZINC000344192723 389279147 /nfs/dbraw/zinc/27/91/47/389279147.db2.gz XLYLXLSSXFSYAK-OLZOCXBDSA-N 2 2 255.406 0.637 20 0 CCADLP c1nc(N[C@H]2CC[NH2+]C2)cc(N2CCSCC2)[nH+]1 ZINC000333514847 389416029 /nfs/dbraw/zinc/41/60/29/389416029.db2.gz JQWWYLIAPGDKQD-JTQLQIEISA-N 2 2 265.386 0.804 20 0 CCADLP C[C@H]1CN(Cc2ncc(C[NH+](C)C)s2)CC[N@@H+]1CCO ZINC000348183105 389367111 /nfs/dbraw/zinc/36/71/11/389367111.db2.gz AFSCQMYBSNIEPS-LBPRGKRZSA-N 2 2 298.456 0.703 20 0 CCADLP C[C@H]1CN(Cc2ncc(C[NH+](C)C)s2)CC[N@H+]1CCO ZINC000348183105 389367114 /nfs/dbraw/zinc/36/71/14/389367114.db2.gz AFSCQMYBSNIEPS-LBPRGKRZSA-N 2 2 298.456 0.703 20 0 CCADLP c1nc(N[C@@H]2CC[NH2+]C2)cc(N2CCSCC2)[nH+]1 ZINC000333514848 389416184 /nfs/dbraw/zinc/41/61/84/389416184.db2.gz JQWWYLIAPGDKQD-SNVBAGLBSA-N 2 2 265.386 0.804 20 0 CCADLP Cc1nc(N2CC[NH+](CCO)CC2)c2c([nH+]1)CCCC2 ZINC000267912813 389374695 /nfs/dbraw/zinc/37/46/95/389374695.db2.gz CQODJPOULLPMIN-UHFFFAOYSA-N 2 2 276.384 0.778 20 0 CCADLP CN(C(=O)C(F)F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369646524 389397833 /nfs/dbraw/zinc/39/78/33/389397833.db2.gz GGJZQEWWIYMTLU-LLVKDONJSA-N 2 2 275.343 0.878 20 0 CCADLP CN(C(=O)C(F)F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369646524 389397835 /nfs/dbraw/zinc/39/78/35/389397835.db2.gz GGJZQEWWIYMTLU-LLVKDONJSA-N 2 2 275.343 0.878 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@@H]3C[NH2+]C[C@H]3C)CC2)cc[nH+]1 ZINC000333273012 389408110 /nfs/dbraw/zinc/40/81/10/389408110.db2.gz KVRQKGPGUIWMBU-DGCLKSJQSA-N 2 2 289.383 0.289 20 0 CCADLP COC(C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)OC ZINC000162011378 389413123 /nfs/dbraw/zinc/41/31/23/389413123.db2.gz VHIAFCVPBACPFP-LBPRGKRZSA-N 2 2 285.388 0.019 20 0 CCADLP COC(C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1)OC ZINC000162011378 389413127 /nfs/dbraw/zinc/41/31/27/389413127.db2.gz VHIAFCVPBACPFP-LBPRGKRZSA-N 2 2 285.388 0.019 20 0 CCADLP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000347778048 389358167 /nfs/dbraw/zinc/35/81/67/389358167.db2.gz NHLAAWLLLKZCHQ-MCIONIFRSA-N 3 2 257.422 0.883 20 0 CCADLP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000347778048 389358170 /nfs/dbraw/zinc/35/81/70/389358170.db2.gz NHLAAWLLLKZCHQ-MCIONIFRSA-N 3 2 257.422 0.883 20 0 CCADLP [NH3+]C1(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000159144780 389359885 /nfs/dbraw/zinc/35/98/85/389359885.db2.gz APMXUNSGVOPBHQ-UHFFFAOYSA-N 2 2 260.341 0.789 20 0 CCADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)[C@@H]1COCC[NH2+]1 ZINC000159144942 389360402 /nfs/dbraw/zinc/36/04/02/389360402.db2.gz HBZCXQOOUVVGOP-ZDUSSCGKSA-N 2 2 290.367 0.286 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1CCCC[NH2+]1 ZINC000422743521 389465261 /nfs/dbraw/zinc/46/52/61/389465261.db2.gz RQNUJJYWRTWLNJ-ILXRZTDVSA-N 3 2 296.459 0.694 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1CCCC[NH2+]1 ZINC000422743521 389465265 /nfs/dbraw/zinc/46/52/65/389465265.db2.gz RQNUJJYWRTWLNJ-ILXRZTDVSA-N 3 2 296.459 0.694 20 0 CCADLP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422861851 389493952 /nfs/dbraw/zinc/49/39/52/389493952.db2.gz NARFQPDFFFPVRA-KFWWJZLASA-N 3 2 268.449 0.600 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000422770048 389471576 /nfs/dbraw/zinc/47/15/76/389471576.db2.gz WGHTWHDMKSMTIO-KBPBESRZSA-N 2 2 283.416 0.603 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000422770048 389471580 /nfs/dbraw/zinc/47/15/80/389471580.db2.gz WGHTWHDMKSMTIO-KBPBESRZSA-N 2 2 283.416 0.603 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000422777526 389472349 /nfs/dbraw/zinc/47/23/49/389472349.db2.gz FQJUDEGDEVKCCT-VNHYZAJKSA-N 2 2 277.416 0.977 20 0 CCADLP CC[NH+]1CCC([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000422773504 389472607 /nfs/dbraw/zinc/47/26/07/389472607.db2.gz UFHQXNZCHRDKKQ-GJZGRUSLSA-N 3 2 267.417 0.827 20 0 CCADLP CC[NH+]1CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000171226376 389473096 /nfs/dbraw/zinc/47/30/96/389473096.db2.gz IMGORGBTZSWVMZ-UHFFFAOYSA-N 2 2 298.431 0.444 20 0 CCADLP CC[NH+]1CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000171226376 389473100 /nfs/dbraw/zinc/47/31/00/389473100.db2.gz IMGORGBTZSWVMZ-UHFFFAOYSA-N 2 2 298.431 0.444 20 0 CCADLP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000422860555 389494284 /nfs/dbraw/zinc/49/42/84/389494284.db2.gz LOPYQPIKKLBDGC-KFWWJZLASA-N 3 2 268.449 0.743 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)c1ccco1)[C@@H]1CCC[NH2+]1 ZINC000422807438 389479469 /nfs/dbraw/zinc/47/94/69/389479469.db2.gz OWTPKRHOJQRGFZ-MNOVXSKESA-N 2 2 251.330 0.740 20 0 CCADLP CC(C)[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C)N1CCOCC1 ZINC000422813267 389480402 /nfs/dbraw/zinc/48/04/02/389480402.db2.gz ZEUNKVIFEILVII-ZNMIVQPWSA-N 2 2 269.433 0.931 20 0 CCADLP CC(C)[C@H](CN[C@@H]1C[NH2+]CC[C@@H]1C)[NH+]1CCOCC1 ZINC000422813267 389480406 /nfs/dbraw/zinc/48/04/06/389480406.db2.gz ZEUNKVIFEILVII-ZNMIVQPWSA-N 2 2 269.433 0.931 20 0 CCADLP O=C(NC1CC1)N[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000274057591 389481297 /nfs/dbraw/zinc/48/12/97/389481297.db2.gz SYRSUUGVFJEOKV-CYBMUJFWSA-N 2 2 277.372 0.809 20 0 CCADLP O=C(NC1CC1)N[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000274057591 389481301 /nfs/dbraw/zinc/48/13/01/389481301.db2.gz SYRSUUGVFJEOKV-CYBMUJFWSA-N 2 2 277.372 0.809 20 0 CCADLP O=C(NC1CC1)N[C@@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000274101463 389485023 /nfs/dbraw/zinc/48/50/23/389485023.db2.gz YHNDZMQZEIYXLS-GFCCVEGCSA-N 2 2 263.345 0.419 20 0 CCADLP O=C(NC1CC1)N[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000274101463 389485029 /nfs/dbraw/zinc/48/50/29/389485029.db2.gz YHNDZMQZEIYXLS-GFCCVEGCSA-N 2 2 263.345 0.419 20 0 CCADLP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000422827705 389485278 /nfs/dbraw/zinc/48/52/78/389485278.db2.gz FESRBQWTTOYPFO-OCCSQVGLSA-N 2 2 292.383 0.767 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000163957780 389430768 /nfs/dbraw/zinc/43/07/68/389430768.db2.gz VSONJFLBQLNAOP-LLVKDONJSA-N 2 2 259.375 0.686 20 0 CCADLP C[NH2+]C[C@H]1CCCN1C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000333600577 389435212 /nfs/dbraw/zinc/43/52/12/389435212.db2.gz BXUMDEPVBHXVAM-CYBMUJFWSA-N 2 2 296.415 0.245 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CCCCO3)C2)CC1 ZINC000372092845 389443641 /nfs/dbraw/zinc/44/36/41/389443641.db2.gz YLHYCEPGBGAHTH-UKRRQHHQSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CCCCO3)C2)CC1 ZINC000372092845 389443644 /nfs/dbraw/zinc/44/36/44/389443644.db2.gz YLHYCEPGBGAHTH-UKRRQHHQSA-N 2 2 295.427 0.840 20 0 CCADLP CCN(CC)S(=O)(=O)CC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000422856721 389493102 /nfs/dbraw/zinc/49/31/02/389493102.db2.gz FYOLNCTYSAHZOF-MNOVXSKESA-N 2 2 263.407 0.127 20 0 CCADLP C([NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)[C@@H]1CCCOC1 ZINC000422721659 389458448 /nfs/dbraw/zinc/45/84/48/389458448.db2.gz VYWGORHWDCJYMH-FPMFFAJLSA-N 2 2 254.374 0.770 20 0 CCADLP CC(C)OCC[C@@H](O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000349915717 389458921 /nfs/dbraw/zinc/45/89/21/389458921.db2.gz VKOGRZSLWVUOEP-CQSZACIVSA-N 2 2 296.415 0.718 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)C[NH+](CC)CC ZINC000422719976 389459233 /nfs/dbraw/zinc/45/92/33/389459233.db2.gz RVMXLICVZBMJIG-YNEHKIRRSA-N 2 2 271.405 0.600 20 0 CCADLP CC(C)NS(=O)(=O)CC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000422946905 389509199 /nfs/dbraw/zinc/50/91/99/389509199.db2.gz PRQIEVONHBEZRS-VXGBXAGGSA-N 2 2 277.434 0.434 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000422967848 389511015 /nfs/dbraw/zinc/51/10/15/389511015.db2.gz UMDNLBYUHWWLCW-ZFWWWQNUSA-N 3 2 268.449 0.600 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3C)CCC[N@@H+]1C ZINC000413442281 389511003 /nfs/dbraw/zinc/51/10/03/389511003.db2.gz QGEPMJUANQZLAG-RQJABVFESA-N 2 2 296.415 0.194 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)N2C[C@@H]3[C@H](C2)OCC[NH+]3C)CCC[N@H+]1C ZINC000413442281 389511009 /nfs/dbraw/zinc/51/10/09/389511009.db2.gz QGEPMJUANQZLAG-RQJABVFESA-N 2 2 296.415 0.194 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)CCC[NH+]1C ZINC000413442281 389511013 /nfs/dbraw/zinc/51/10/13/389511013.db2.gz QGEPMJUANQZLAG-RQJABVFESA-N 2 2 296.415 0.194 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)CCC[NH+]1C ZINC000413442281 389511016 /nfs/dbraw/zinc/51/10/16/389511016.db2.gz QGEPMJUANQZLAG-RQJABVFESA-N 2 2 296.415 0.194 20 0 CCADLP CCC(O)(CC)C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422969746 389512001 /nfs/dbraw/zinc/51/20/01/389512001.db2.gz DMNFBZXSEQYRCC-STQMWFEESA-N 2 2 256.390 0.894 20 0 CCADLP Fc1cccnc1OCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422993498 389518061 /nfs/dbraw/zinc/51/80/61/389518061.db2.gz FTLVMSCAXSSBNR-KGLIPLIRSA-N 2 2 295.358 0.956 20 0 CCADLP c1ccc(NCC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)nc1 ZINC000423009176 389521745 /nfs/dbraw/zinc/52/17/45/389521745.db2.gz VCRCVUSVJJMIML-DZGCQCFKSA-N 2 2 276.384 0.850 20 0 CCADLP C[C@H]([NH2+]C[C@H]1CC[C@@H](C(=O)N(C)C)O1)[C@@H]1CCC[NH2+]1 ZINC000423012114 389522290 /nfs/dbraw/zinc/52/22/90/389522290.db2.gz CKYOSVOZIYQEGS-RNJOBUHISA-N 2 2 269.389 0.352 20 0 CCADLP C[C@H]([NH2+]C[C@H]1CC[C@@H](C(=O)N(C)C)O1)[C@H]1CCCC[NH2+]1 ZINC000423019224 389522433 /nfs/dbraw/zinc/52/24/33/389522433.db2.gz UTHBXZYBCVRSEL-DGAVXFQQSA-N 2 2 283.416 0.742 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000423029229 389525672 /nfs/dbraw/zinc/52/56/72/389525672.db2.gz HTOSCTKLVGLUTJ-RQJABVFESA-N 2 2 255.406 0.826 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000423029229 389525677 /nfs/dbraw/zinc/52/56/77/389525677.db2.gz HTOSCTKLVGLUTJ-RQJABVFESA-N 2 2 255.406 0.826 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCCN(C)[C@H]1C ZINC000423029229 389525682 /nfs/dbraw/zinc/52/56/82/389525682.db2.gz HTOSCTKLVGLUTJ-RQJABVFESA-N 2 2 255.406 0.826 20 0 CCADLP CCOC(=O)[C@@H](C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174712896 389527633 /nfs/dbraw/zinc/52/76/33/389527633.db2.gz LGVPGKLCWXEULB-CYBMUJFWSA-N 2 2 271.405 0.507 20 0 CCADLP CCOC(=O)[C@@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174712896 389527635 /nfs/dbraw/zinc/52/76/35/389527635.db2.gz LGVPGKLCWXEULB-CYBMUJFWSA-N 2 2 271.405 0.507 20 0 CCADLP FC(F)COCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423066218 389528822 /nfs/dbraw/zinc/52/88/22/389528822.db2.gz DAGHMJJNKNTBAI-CMPLNLGQSA-N 2 2 264.316 0.625 20 0 CCADLP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)C1 ZINC000423085671 389531963 /nfs/dbraw/zinc/53/19/63/389531963.db2.gz LCQNMPUZFQTMJR-WUHRBBMRSA-N 2 2 270.373 0.685 20 0 CCADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC(=O)NCC(F)F ZINC000423103685 389535156 /nfs/dbraw/zinc/53/51/56/389535156.db2.gz XVQKFXLKTBZMHG-CMPLNLGQSA-N 2 2 285.338 0.916 20 0 CCADLP CO[C@H](C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)C1CC1 ZINC000423136833 389541037 /nfs/dbraw/zinc/54/10/37/389541037.db2.gz PSLBWTUDMKXQDJ-MCIONIFRSA-N 2 2 254.374 0.768 20 0 CCADLP [NH3+]CC1CCC([NH2+][C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000423144959 389543017 /nfs/dbraw/zinc/54/30/17/389543017.db2.gz IMBQSIGNMHHWAJ-YMAMQOFZSA-N 3 2 269.433 0.940 20 0 CCADLP [NH3+]CC1CCC([NH2+][C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000423144959 389543020 /nfs/dbraw/zinc/54/30/20/389543020.db2.gz IMBQSIGNMHHWAJ-YMAMQOFZSA-N 3 2 269.433 0.940 20 0 CCADLP C[NH+]1CCC(Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)CC1 ZINC000423238008 389555808 /nfs/dbraw/zinc/55/58/08/389555808.db2.gz USNNOHSZLUSUCH-UHFFFAOYSA-N 3 2 275.400 0.997 20 0 CCADLP [NH3+]CC1(CC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000423297167 389560900 /nfs/dbraw/zinc/56/09/00/389560900.db2.gz JAIHDNWRMRPUMY-UHFFFAOYSA-N 2 2 274.368 0.859 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000279305129 389567252 /nfs/dbraw/zinc/56/72/52/389567252.db2.gz ADOYBZGYZGXZGE-JQWIXIFHSA-N 2 2 280.372 0.486 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000422876703 389497326 /nfs/dbraw/zinc/49/73/26/389497326.db2.gz GSQKXQLEGLKCEF-IGQOVBAYSA-N 2 2 281.400 0.496 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000422876703 389497330 /nfs/dbraw/zinc/49/73/30/389497330.db2.gz GSQKXQLEGLKCEF-IGQOVBAYSA-N 2 2 281.400 0.496 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCC[N@H+](CC)C1CC1 ZINC000422883384 389498265 /nfs/dbraw/zinc/49/82/65/389498265.db2.gz UZXVFGLTMUAEJO-CHWSQXEVSA-N 2 2 269.389 0.354 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCC[N@@H+](CC)C1CC1 ZINC000422883384 389498266 /nfs/dbraw/zinc/49/82/66/389498266.db2.gz UZXVFGLTMUAEJO-CHWSQXEVSA-N 2 2 269.389 0.354 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000422880496 389498362 /nfs/dbraw/zinc/49/83/62/389498362.db2.gz OBMYKPIRJSBLSF-ILXRZTDVSA-N 3 2 296.459 0.517 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000422880496 389498363 /nfs/dbraw/zinc/49/83/63/389498363.db2.gz OBMYKPIRJSBLSF-ILXRZTDVSA-N 3 2 296.459 0.517 20 0 CCADLP O=C(NCC[N@H+]1CC=CCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000373621893 389502700 /nfs/dbraw/zinc/50/27/00/389502700.db2.gz HYMBKWWJSNVQAU-ZDUSSCGKSA-N 2 2 274.368 0.824 20 0 CCADLP O=C(NCC[N@@H+]1CC=CCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000373621893 389502704 /nfs/dbraw/zinc/50/27/04/389502704.db2.gz HYMBKWWJSNVQAU-ZDUSSCGKSA-N 2 2 274.368 0.824 20 0 CCADLP Cc1cc(N2CC[NH+]([C@@H]3CCS(=O)(=O)C3)CC2)cc[nH+]1 ZINC000274318991 389503063 /nfs/dbraw/zinc/50/30/63/389503063.db2.gz CISWVEVZWCZSCV-CQSZACIVSA-N 2 2 295.408 0.699 20 0 CCADLP C[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)C1C[NH2+]C1 ZINC000422913163 389504416 /nfs/dbraw/zinc/50/44/16/389504416.db2.gz PDNYPEDRIUCQLS-LLVKDONJSA-N 2 2 262.357 0.938 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCC[NH+]2CC=CCC2)C1 ZINC000373659597 389504686 /nfs/dbraw/zinc/50/46/86/389504686.db2.gz KRUJSBCQAWEVNZ-CYBMUJFWSA-N 2 2 267.373 0.085 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2CC=CCC2)C1 ZINC000373659597 389504688 /nfs/dbraw/zinc/50/46/88/389504688.db2.gz KRUJSBCQAWEVNZ-CYBMUJFWSA-N 2 2 267.373 0.085 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)NCC[N@@H+]2CC=CCC2)C1 ZINC000373659597 389504698 /nfs/dbraw/zinc/50/46/98/389504698.db2.gz KRUJSBCQAWEVNZ-CYBMUJFWSA-N 2 2 267.373 0.085 20 0 CCADLP COC[C@@]1(C[NH2+]Cc2ccc(C(=O)OC)[nH]2)CCC[NH2+]1 ZINC000414948036 389646761 /nfs/dbraw/zinc/64/67/61/389646761.db2.gz WLIMQCIIVFRXAW-AWEZNQCLSA-N 2 2 281.356 0.660 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCN2CCOC(C)(C)C2)n1C ZINC000414324083 389611624 /nfs/dbraw/zinc/61/16/24/389611624.db2.gz IGOFTFCTLBVHSP-UHFFFAOYSA-N 2 2 295.431 0.687 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2c2ncc[nH]2)CC1 ZINC000374909538 389619122 /nfs/dbraw/zinc/61/91/22/389619122.db2.gz GNDOCHCRDYITEK-CYBMUJFWSA-N 2 2 291.399 0.711 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]2c2ncc[nH]2)CC1 ZINC000374909538 389619126 /nfs/dbraw/zinc/61/91/26/389619126.db2.gz GNDOCHCRDYITEK-CYBMUJFWSA-N 2 2 291.399 0.711 20 0 CCADLP [NH3+][C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000424163802 389619874 /nfs/dbraw/zinc/61/98/74/389619874.db2.gz YEOGSHQDNPQRAU-RWMBFGLXSA-N 2 2 267.373 0.047 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424196683 389621233 /nfs/dbraw/zinc/62/12/33/389621233.db2.gz VNFMXPXNTBNXIV-ZJUUUORDSA-N 2 2 263.332 0.578 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[N@@H+]1C ZINC000336277685 389629418 /nfs/dbraw/zinc/62/94/18/389629418.db2.gz FOIFSLTWCFQQNB-LBPRGKRZSA-N 2 2 250.346 0.682 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[N@H+]1C ZINC000336277685 389629420 /nfs/dbraw/zinc/62/94/20/389629420.db2.gz FOIFSLTWCFQQNB-LBPRGKRZSA-N 2 2 250.346 0.682 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@H](CO)c1ccsc1)C1CC1 ZINC000351606517 389631580 /nfs/dbraw/zinc/63/15/80/389631580.db2.gz UCELCBFFUBXVKY-CHWSQXEVSA-N 2 2 270.398 0.826 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@H](CO)c1ccsc1)C1CC1 ZINC000351606517 389631581 /nfs/dbraw/zinc/63/15/81/389631581.db2.gz UCELCBFFUBXVKY-CHWSQXEVSA-N 2 2 270.398 0.826 20 0 CCADLP C[NH2+]CC[NH2+][C@H](C)CC(=O)NCCc1ccccc1 ZINC000414830999 389639582 /nfs/dbraw/zinc/63/95/82/389639582.db2.gz PBQRCXPMEFXHBF-CYBMUJFWSA-N 2 2 263.385 0.933 20 0 CCADLP COCC[NH2+]CC[NH2+][C@H](C)Cc1cccc(OC)n1 ZINC000414866245 389641182 /nfs/dbraw/zinc/64/11/82/389641182.db2.gz ABEUHNAROUOQLR-GFCCVEGCSA-N 2 2 267.373 0.847 20 0 CCADLP COCC[NH2+]CC[NH2+]Cc1c[nH]c(C(=O)OC)c1 ZINC000414880788 389642959 /nfs/dbraw/zinc/64/29/59/389642959.db2.gz JGDKSTOALQFOAK-UHFFFAOYSA-N 2 2 255.318 0.127 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@H]2CC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000335536497 389574865 /nfs/dbraw/zinc/57/48/65/389574865.db2.gz ZCMYFTFPTSWJAW-ZIAGYGMSSA-N 2 2 259.353 0.864 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]2CC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000335536497 389574869 /nfs/dbraw/zinc/57/48/69/389574869.db2.gz ZCMYFTFPTSWJAW-ZIAGYGMSSA-N 2 2 259.353 0.864 20 0 CCADLP CN(C)C(=O)C1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351343863 389575503 /nfs/dbraw/zinc/57/55/03/389575503.db2.gz UUOJEQPHORTXBG-AWEZNQCLSA-N 2 2 283.416 0.242 20 0 CCADLP CN(C)C(=O)C1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000351343863 389575505 /nfs/dbraw/zinc/57/55/05/389575505.db2.gz UUOJEQPHORTXBG-AWEZNQCLSA-N 2 2 283.416 0.242 20 0 CCADLP CCC[NH2+]CCNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000423459808 389590174 /nfs/dbraw/zinc/59/01/74/389590174.db2.gz LXRZPPAREIOJDO-AWEZNQCLSA-N 2 2 283.416 0.603 20 0 CCADLP CCC[NH2+]CCNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000423459808 389590177 /nfs/dbraw/zinc/59/01/77/389590177.db2.gz LXRZPPAREIOJDO-AWEZNQCLSA-N 2 2 283.416 0.603 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000423561257 389601287 /nfs/dbraw/zinc/60/12/87/389601287.db2.gz VOGMDIKUHKQLDF-VHDGCEQUSA-N 2 2 295.427 0.602 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000423561257 389601293 /nfs/dbraw/zinc/60/12/93/389601293.db2.gz VOGMDIKUHKQLDF-VHDGCEQUSA-N 2 2 295.427 0.602 20 0 CCADLP COCC[N@H+](C)CCC[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000182399714 389708358 /nfs/dbraw/zinc/70/83/58/389708358.db2.gz WKIFVQIGZRXDNB-GFCCVEGCSA-N 2 2 278.418 0.122 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000182399714 389708360 /nfs/dbraw/zinc/70/83/60/389708360.db2.gz WKIFVQIGZRXDNB-GFCCVEGCSA-N 2 2 278.418 0.122 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C2CC2)CC1 ZINC000375830710 389717283 /nfs/dbraw/zinc/71/72/83/389717283.db2.gz LDCSUPDICJRLTR-CYBMUJFWSA-N 2 2 251.374 0.635 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C2CC2)CC1 ZINC000375830710 389717284 /nfs/dbraw/zinc/71/72/84/389717284.db2.gz LDCSUPDICJRLTR-CYBMUJFWSA-N 2 2 251.374 0.635 20 0 CCADLP O=S1(=O)CC[C@H]([N@H+](CCCn2cc[nH+]c2)C2CC2)C1 ZINC000182898851 389720571 /nfs/dbraw/zinc/72/05/71/389720571.db2.gz RZLPBZLHVKFJLJ-ZDUSSCGKSA-N 2 2 283.397 0.925 20 0 CCADLP O=S1(=O)CC[C@H]([N@@H+](CCCn2cc[nH+]c2)C2CC2)C1 ZINC000182898851 389720574 /nfs/dbraw/zinc/72/05/74/389720574.db2.gz RZLPBZLHVKFJLJ-ZDUSSCGKSA-N 2 2 283.397 0.925 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@H]2C[NH2+]CCO2)oc1C ZINC000415097591 389658276 /nfs/dbraw/zinc/65/82/76/389658276.db2.gz SZCLRRVJJFSJTH-LLVKDONJSA-N 2 2 268.313 0.453 20 0 CCADLP COCc1cccc(C[NH2+]C[C@H]2C[NH2+]CCO2)c1 ZINC000415098888 389658695 /nfs/dbraw/zinc/65/86/95/389658695.db2.gz WXRJGLNOMKDWQN-CQSZACIVSA-N 2 2 250.342 0.911 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)C[C@@H]1C ZINC000415098597 389658828 /nfs/dbraw/zinc/65/88/28/389658828.db2.gz WFBOLZXGPIEOQV-XDQVBPFNSA-N 2 2 284.400 0.932 20 0 CCADLP COCc1noc(C[N@@H+](C)CCCn2cc[nH+]c2)n1 ZINC000180214630 389667196 /nfs/dbraw/zinc/66/71/96/389667196.db2.gz OWNRSRXZTUUOJN-UHFFFAOYSA-N 2 2 265.317 0.935 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CC2(CS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC000181226972 389682778 /nfs/dbraw/zinc/68/27/78/389682778.db2.gz PJHBTUMLZQLFAD-RYUDHWBXSA-N 2 2 274.430 0.884 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CC2(CS(C)(=O)=O)CC2)CC[N@H+]1C ZINC000181226972 389682781 /nfs/dbraw/zinc/68/27/81/389682781.db2.gz PJHBTUMLZQLFAD-RYUDHWBXSA-N 2 2 274.430 0.884 20 0 CCADLP C[C@H](CS(C)(=O)=O)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000183077983 389723493 /nfs/dbraw/zinc/72/34/93/389723493.db2.gz QAHDUCGSAJRVJK-WOPDTQHZSA-N 2 2 262.419 0.882 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000351856775 389699777 /nfs/dbraw/zinc/69/97/77/389699777.db2.gz WFALLTMZMQWLAJ-ZJUUUORDSA-N 2 2 250.346 0.914 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000351856775 389699781 /nfs/dbraw/zinc/69/97/81/389699781.db2.gz WFALLTMZMQWLAJ-ZJUUUORDSA-N 2 2 250.346 0.914 20 0 CCADLP CCC[C@H]([NH2+]C(C)C)C(=O)NCC[NH+]1CCOCC1 ZINC000352129534 389758749 /nfs/dbraw/zinc/75/87/49/389758749.db2.gz QYNYGUKVVRQQDZ-ZDUSSCGKSA-N 2 2 271.405 0.602 20 0 CCADLP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000429681269 389765159 /nfs/dbraw/zinc/76/51/59/389765159.db2.gz VLCUNCNGQLSYDG-OAHLLOKOSA-N 3 2 296.459 0.424 20 0 CCADLP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000429681269 389765161 /nfs/dbraw/zinc/76/51/61/389765161.db2.gz VLCUNCNGQLSYDG-OAHLLOKOSA-N 3 2 296.459 0.424 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000429681269 389765163 /nfs/dbraw/zinc/76/51/63/389765163.db2.gz VLCUNCNGQLSYDG-OAHLLOKOSA-N 3 2 296.459 0.424 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000429681269 389765165 /nfs/dbraw/zinc/76/51/65/389765165.db2.gz VLCUNCNGQLSYDG-OAHLLOKOSA-N 3 2 296.459 0.424 20 0 CCADLP CC[N@H+](C[C@@H](C)O)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000352194874 389769033 /nfs/dbraw/zinc/76/90/33/389769033.db2.gz MGNWVURUAPZUMK-CHWSQXEVSA-N 2 2 271.405 0.242 20 0 CCADLP CC[N@@H+](C[C@@H](C)O)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000352194874 389769035 /nfs/dbraw/zinc/76/90/35/389769035.db2.gz MGNWVURUAPZUMK-CHWSQXEVSA-N 2 2 271.405 0.242 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000352218055 389773707 /nfs/dbraw/zinc/77/37/07/389773707.db2.gz VBFNHTYENWYYPZ-HNNXBMFYSA-N 2 2 295.427 0.839 20 0 CCADLP C[NH2+][C@@H]1CCCN(C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000416832584 389774920 /nfs/dbraw/zinc/77/49/20/389774920.db2.gz UQLPLGAJMWLIBZ-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[C@H]1C[NH2+]CCN1C(=O)NCCn1cc[nH+]c1 ZINC000416853168 389776620 /nfs/dbraw/zinc/77/66/20/389776620.db2.gz NNJQEHBYRHVQGB-LBPRGKRZSA-N 2 2 265.361 0.667 20 0 CCADLP CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+][C@H]2CC[NH2+]C2)C1 ZINC000397441392 389778173 /nfs/dbraw/zinc/77/81/73/389778173.db2.gz ZYNGWDQPWNJCFR-RYUDHWBXSA-N 2 2 285.388 0.574 20 0 CCADLP COC(=O)c1cc(C[NH2+]C2(CCO)CC[NH+](C)CC2)c[nH]1 ZINC000430002410 389780080 /nfs/dbraw/zinc/78/00/80/389780080.db2.gz OKXXJFRLGLVKQC-UHFFFAOYSA-N 2 2 295.383 0.738 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]CCOC(F)(F)F)C1CC1 ZINC000398268292 389781245 /nfs/dbraw/zinc/78/12/45/389781245.db2.gz XOLXNOBFYHTNSR-SECBINFHSA-N 2 2 256.268 0.568 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]CCOC(F)(F)F)C1CC1 ZINC000398268292 389781246 /nfs/dbraw/zinc/78/12/46/389781246.db2.gz XOLXNOBFYHTNSR-SECBINFHSA-N 2 2 256.268 0.568 20 0 CCADLP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000417010569 389788740 /nfs/dbraw/zinc/78/87/40/389788740.db2.gz PPRKXRBGMPJCRW-AAEUAGOBSA-N 2 2 291.399 0.945 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000417010089 389789109 /nfs/dbraw/zinc/78/91/09/389789109.db2.gz OOEUTJSYGNMDEL-NSHDSACASA-N 2 2 279.388 0.802 20 0 CCADLP [NH3+][C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCC1 ZINC000399166629 389789369 /nfs/dbraw/zinc/78/93/69/389789369.db2.gz GXFWYTIMLAJTRL-AWEZNQCLSA-N 2 2 274.368 0.858 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000417024892 389790974 /nfs/dbraw/zinc/79/09/74/389790974.db2.gz LDASKNGQERTRPX-QWHCGFSZSA-N 2 2 284.404 0.230 20 0 CCADLP C[NH2+]C[C@@H]1CCCN1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000417043876 389791594 /nfs/dbraw/zinc/79/15/94/389791594.db2.gz YDGLSTUOFNQRDI-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000183173652 389726631 /nfs/dbraw/zinc/72/66/31/389726631.db2.gz APCNBDXPZVIOOM-NEPJUHHUSA-N 2 2 250.346 0.859 20 0 CCADLP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CCCn1cc[nH+]c1 ZINC000183173652 389726637 /nfs/dbraw/zinc/72/66/37/389726637.db2.gz APCNBDXPZVIOOM-NEPJUHHUSA-N 2 2 250.346 0.859 20 0 CCADLP [NH3+][C@H]1CCC[C@H](CNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000416438395 389743550 /nfs/dbraw/zinc/74/35/50/389743550.db2.gz ODPGEHVCASKOJO-STQMWFEESA-N 2 2 284.404 0.135 20 0 CCADLP CSC[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000429307588 389750169 /nfs/dbraw/zinc/75/01/69/389750169.db2.gz OZDLROILMHFASK-ZDUSSCGKSA-N 2 2 285.457 0.835 20 0 CCADLP CSC[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000429307588 389750171 /nfs/dbraw/zinc/75/01/71/389750171.db2.gz OZDLROILMHFASK-ZDUSSCGKSA-N 2 2 285.457 0.835 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@@H](C)[NH+]2CCSCC2)C1 ZINC000430433041 389801110 /nfs/dbraw/zinc/80/11/10/389801110.db2.gz SSNRHDZWEJTDRF-LLVKDONJSA-N 2 2 271.430 0.633 20 0 CCADLP CNC(=O)Cc1nc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cs1 ZINC000430538248 389806185 /nfs/dbraw/zinc/80/61/85/389806185.db2.gz JIJIDPXAEZPCMB-WDEREUQCSA-N 2 2 296.440 0.991 20 0 CCADLP CNC(=O)Cc1nc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cs1 ZINC000430538248 389806188 /nfs/dbraw/zinc/80/61/88/389806188.db2.gz JIJIDPXAEZPCMB-WDEREUQCSA-N 2 2 296.440 0.991 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000430550511 389806676 /nfs/dbraw/zinc/80/66/76/389806676.db2.gz GPSHYMPVHBDACQ-SCRDCRAPSA-N 2 2 291.399 0.585 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000430550511 389806678 /nfs/dbraw/zinc/80/66/78/389806678.db2.gz GPSHYMPVHBDACQ-SCRDCRAPSA-N 2 2 291.399 0.585 20 0 CCADLP Cc1cnn([C@H]2CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)C2)c1 ZINC000352416204 389807723 /nfs/dbraw/zinc/80/77/23/389807723.db2.gz SBKOQZKPVYPHNI-LSDHHAIUSA-N 2 2 278.400 0.893 20 0 CCADLP Cc1cnn([C@H]2CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)C2)c1 ZINC000352416204 389807725 /nfs/dbraw/zinc/80/77/25/389807725.db2.gz SBKOQZKPVYPHNI-LSDHHAIUSA-N 2 2 278.400 0.893 20 0 CCADLP Cc1cnn([C@H]2CC[N@@H+](C[C@H](O)C[NH+](C)C3CC3)C2)c1 ZINC000352416204 389807727 /nfs/dbraw/zinc/80/77/27/389807727.db2.gz SBKOQZKPVYPHNI-LSDHHAIUSA-N 2 2 278.400 0.893 20 0 CCADLP Cc1cnn([C@H]2CC[N@H+](C[C@H](O)C[NH+](C)C3CC3)C2)c1 ZINC000352416204 389807729 /nfs/dbraw/zinc/80/77/29/389807729.db2.gz SBKOQZKPVYPHNI-LSDHHAIUSA-N 2 2 278.400 0.893 20 0 CCADLP CN(C(=O)C[NH2+][C@](C)(C[NH3+])C1CC1)c1nccs1 ZINC000430574539 389809096 /nfs/dbraw/zinc/80/90/96/389809096.db2.gz OFOAEXLYNDALKK-GFCCVEGCSA-N 2 2 268.386 0.823 20 0 CCADLP c1cc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)sn1 ZINC000404433344 389811054 /nfs/dbraw/zinc/81/10/54/389811054.db2.gz CNOGMJRLEPWCJY-NSHDSACASA-N 2 2 252.387 0.623 20 0 CCADLP C[N@H+](CC(=O)NC(C1CC1)C1CC1)C1CC[NH2+]CC1 ZINC000430602968 389811524 /nfs/dbraw/zinc/81/15/24/389811524.db2.gz IJRHSUJFCIBMIA-UHFFFAOYSA-N 2 2 265.401 0.975 20 0 CCADLP C[N@@H+](CC(=O)NC(C1CC1)C1CC1)C1CC[NH2+]CC1 ZINC000430602968 389811527 /nfs/dbraw/zinc/81/15/27/389811527.db2.gz IJRHSUJFCIBMIA-UHFFFAOYSA-N 2 2 265.401 0.975 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000430605695 389812316 /nfs/dbraw/zinc/81/23/16/389812316.db2.gz RQDFBICKGRCTTD-ZDUSSCGKSA-N 3 2 282.432 0.258 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000430605695 389812317 /nfs/dbraw/zinc/81/23/17/389812317.db2.gz RQDFBICKGRCTTD-ZDUSSCGKSA-N 3 2 282.432 0.258 20 0 CCADLP C[C@@H]1CN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC[NH2+]1 ZINC000417411943 389813877 /nfs/dbraw/zinc/81/38/77/389813877.db2.gz DZUYADWGBCCTGV-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)N[C@@H](C[NH3+])C2CC2)CCO1 ZINC000417422308 389814789 /nfs/dbraw/zinc/81/47/89/389814789.db2.gz KOSMFOKJQZVNEP-LBPRGKRZSA-N 2 2 284.404 0.134 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)N[C@@H](C[NH3+])C2CC2)CCO1 ZINC000417422308 389814792 /nfs/dbraw/zinc/81/47/92/389814792.db2.gz KOSMFOKJQZVNEP-LBPRGKRZSA-N 2 2 284.404 0.134 20 0 CCADLP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+]1CCC([NH3+])CC1 ZINC000430640556 389815460 /nfs/dbraw/zinc/81/54/60/389815460.db2.gz RHFOPTVOCHHTSX-YPMHNXCESA-N 2 2 296.415 0.814 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000417497810 389820580 /nfs/dbraw/zinc/82/05/80/389820580.db2.gz BNJHDJGWYCPCGQ-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000417497810 389820583 /nfs/dbraw/zinc/82/05/83/389820583.db2.gz BNJHDJGWYCPCGQ-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@H](CC[NH3+])NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000417515395 389824129 /nfs/dbraw/zinc/82/41/29/389824129.db2.gz CXPODCUWTJNQJB-WOPDTQHZSA-N 2 2 272.393 0.132 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000430771159 389824381 /nfs/dbraw/zinc/82/43/81/389824381.db2.gz BPLLAFPVJVEBCD-LBPRGKRZSA-N 2 2 280.372 0.534 20 0 CCADLP C[C@@H](NC(=O)NCC[C@H](C)[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000417516426 389824851 /nfs/dbraw/zinc/82/48/51/389824851.db2.gz GVCYUKKIAJBDKE-TUAOUCFPSA-N 2 2 272.393 0.132 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000417521372 389825978 /nfs/dbraw/zinc/82/59/78/389825978.db2.gz YXWKYMWJRPTVSQ-NEPJUHHUSA-N 2 2 272.393 0.004 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000417521372 389825981 /nfs/dbraw/zinc/82/59/81/389825981.db2.gz YXWKYMWJRPTVSQ-NEPJUHHUSA-N 2 2 272.393 0.004 20 0 CCADLP CCC[NH2+]CCNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000417522223 389826133 /nfs/dbraw/zinc/82/61/33/389826133.db2.gz QAUQLHZIOGFMSR-STQMWFEESA-N 2 2 286.420 0.394 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000430915532 389833880 /nfs/dbraw/zinc/83/38/80/389833880.db2.gz CZDNXOOPNQXJQO-ZIAGYGMSSA-N 3 2 296.459 0.598 20 0 CCADLP C[NH2+]CC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000430927932 389835986 /nfs/dbraw/zinc/83/59/86/389835986.db2.gz SBJRAQMEGSSYMV-UHFFFAOYSA-N 2 2 264.251 0.623 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000430930849 389836433 /nfs/dbraw/zinc/83/64/33/389836433.db2.gz UUBDEYIDBDDZCB-CYBMUJFWSA-N 2 2 297.424 0.506 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000430930849 389836436 /nfs/dbraw/zinc/83/64/36/389836436.db2.gz UUBDEYIDBDDZCB-CYBMUJFWSA-N 2 2 297.424 0.506 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000352811661 389837323 /nfs/dbraw/zinc/83/73/23/389837323.db2.gz VFEXTXYMJUQXAE-GXTWGEPZSA-N 3 2 267.417 0.515 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000352811661 389837326 /nfs/dbraw/zinc/83/73/26/389837326.db2.gz VFEXTXYMJUQXAE-GXTWGEPZSA-N 3 2 267.417 0.515 20 0 CCADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430964073 389840933 /nfs/dbraw/zinc/84/09/33/389840933.db2.gz XMXGIQZSFYUQQE-JHJVBQTASA-N 2 2 296.415 0.672 20 0 CCADLP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430964073 389840937 /nfs/dbraw/zinc/84/09/37/389840937.db2.gz XMXGIQZSFYUQQE-JHJVBQTASA-N 2 2 296.415 0.672 20 0 CCADLP CC(C)(C[NH3+])C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000431062168 389848613 /nfs/dbraw/zinc/84/86/13/389848613.db2.gz ZUYKMCCGBXNDMW-UHFFFAOYSA-N 2 2 257.378 0.198 20 0 CCADLP CC(C)(C[NH3+])C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000431062168 389848618 /nfs/dbraw/zinc/84/86/18/389848618.db2.gz ZUYKMCCGBXNDMW-UHFFFAOYSA-N 2 2 257.378 0.198 20 0 CCADLP CC(C)([NH3+])CNC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000417812323 389851754 /nfs/dbraw/zinc/85/17/54/389851754.db2.gz KYTVKGKAVZPSFF-SNVBAGLBSA-N 2 2 257.284 0.818 20 0 CCADLP C[C@H]1[NH2+]CCN(C(=O)NCc2c[nH+]c(N(C)C)n2C)[C@H]1C ZINC000417854589 389857278 /nfs/dbraw/zinc/85/72/78/389857278.db2.gz UFGNKRIXBACPMK-MNOVXSKESA-N 2 2 294.403 0.378 20 0 CCADLP CO[C@H](C)C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000443212013 389875482 /nfs/dbraw/zinc/87/54/82/389875482.db2.gz CPDRGZUFSBBORE-CQSZACIVSA-N 2 2 285.432 0.408 20 0 CCADLP CO[C@H](C)C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000443212013 389875483 /nfs/dbraw/zinc/87/54/83/389875483.db2.gz CPDRGZUFSBBORE-CQSZACIVSA-N 2 2 285.432 0.408 20 0 CCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000442780914 389862701 /nfs/dbraw/zinc/86/27/01/389862701.db2.gz OLZWKZVWZPZUOU-KXUCPTDWSA-N 2 2 279.306 0.819 20 0 CCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000442780914 389862702 /nfs/dbraw/zinc/86/27/02/389862702.db2.gz OLZWKZVWZPZUOU-KXUCPTDWSA-N 2 2 279.306 0.819 20 0 CCADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N(C)CC(F)(F)F ZINC000442781356 389862718 /nfs/dbraw/zinc/86/27/18/389862718.db2.gz PIYFVELNNCSAAM-DTWKUNHWSA-N 2 2 267.295 0.676 20 0 CCADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N(C)CC(F)(F)F ZINC000442781356 389862719 /nfs/dbraw/zinc/86/27/19/389862719.db2.gz PIYFVELNNCSAAM-DTWKUNHWSA-N 2 2 267.295 0.676 20 0 CCADLP C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442775107 389862748 /nfs/dbraw/zinc/86/27/48/389862748.db2.gz BKAIMVANLJATRZ-VWYCJHECSA-N 2 2 263.345 0.473 20 0 CCADLP C[C@@H](C(=O)Nc1ncccn1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442775107 389862750 /nfs/dbraw/zinc/86/27/50/389862750.db2.gz BKAIMVANLJATRZ-VWYCJHECSA-N 2 2 263.345 0.473 20 0 CCADLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)[C@H]1CC[NH2+]1 ZINC000444166821 389893583 /nfs/dbraw/zinc/89/35/83/389893583.db2.gz KDTHAQVMQOLGQA-CYBMUJFWSA-N 2 2 256.309 0.850 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000433116868 389898997 /nfs/dbraw/zinc/89/89/97/389898997.db2.gz MDMBUSNSRWGEAD-XQQFMLRXSA-N 2 2 271.405 0.443 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000447595147 389958504 /nfs/dbraw/zinc/95/85/04/389958504.db2.gz LMQCOHAZHUOSAJ-GXTWGEPZSA-N 3 2 255.406 0.637 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000447595147 389958506 /nfs/dbraw/zinc/95/85/06/389958506.db2.gz LMQCOHAZHUOSAJ-GXTWGEPZSA-N 3 2 255.406 0.637 20 0 CCADLP Cn1cc[nH+]c1CN(CC[NH3+])[C@@H]1CC12CC[NH2+]CC2 ZINC000435694570 389961284 /nfs/dbraw/zinc/96/12/84/389961284.db2.gz MAAVCJGTLQICBF-GFCCVEGCSA-N 3 2 263.389 0.323 20 0 CCADLP C[NH2+]C[C@H](C)CNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000420195718 389964697 /nfs/dbraw/zinc/96/46/97/389964697.db2.gz KSLBVNLLBBTMSD-QWHCGFSZSA-N 2 2 293.415 0.953 20 0 CCADLP C[NH2+]C[C@H](C)CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000420195718 389964699 /nfs/dbraw/zinc/96/46/99/389964699.db2.gz KSLBVNLLBBTMSD-QWHCGFSZSA-N 2 2 293.415 0.953 20 0 CCADLP Cc1nc(N(C)C)nc(N[C@H]2CCC[C@@H]([NH3+])C2)[nH+]1 ZINC000420241715 389971641 /nfs/dbraw/zinc/97/16/41/389971641.db2.gz TXPXWDIWJIYQPB-ZJUUUORDSA-N 2 2 250.350 0.350 20 0 CCADLP Cc1nc(N[C@H]2CCC[C@@H]([NH3+])C2)nc(N(C)C)[nH+]1 ZINC000420241715 389971643 /nfs/dbraw/zinc/97/16/43/389971643.db2.gz TXPXWDIWJIYQPB-ZJUUUORDSA-N 2 2 250.350 0.350 20 0 CCADLP C[NH+](C)C1(CNC(=O)NCCn2cc[nH+]c2)CCC1 ZINC000445555919 389923999 /nfs/dbraw/zinc/92/39/99/389923999.db2.gz DOMVGEIJDHNYLR-UHFFFAOYSA-N 2 2 265.361 0.667 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000434266030 389927954 /nfs/dbraw/zinc/92/79/54/389927954.db2.gz JGPVFUPEZIYYHV-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000434266030 389927955 /nfs/dbraw/zinc/92/79/55/389927955.db2.gz JGPVFUPEZIYYHV-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)[C@H]1C[C@H](F)C[NH2+]1 ZINC000446362584 389934556 /nfs/dbraw/zinc/93/45/56/389934556.db2.gz JJSHRCZNBRJHMO-JGVFFNPUSA-N 2 2 294.252 0.762 20 0 CCADLP COCCO[C@@H]1C[C@H](CO)C[N@H+](CCn2cc[nH+]c2C)C1 ZINC000447395310 389953825 /nfs/dbraw/zinc/95/38/25/389953825.db2.gz IIUBCTLGTSPULB-LSDHHAIUSA-N 2 2 297.399 0.537 20 0 CCADLP COCCO[C@@H]1C[C@H](CO)C[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000447395310 389953828 /nfs/dbraw/zinc/95/38/28/389953828.db2.gz IIUBCTLGTSPULB-LSDHHAIUSA-N 2 2 297.399 0.537 20 0 CCADLP OC[C@H]1CCCCN1c1cc(N2CC[NH2+]CC2)nc[nH+]1 ZINC000420116365 389954749 /nfs/dbraw/zinc/95/47/49/389954749.db2.gz GENVEASHVBERCA-GFCCVEGCSA-N 2 2 277.372 0.237 20 0 CCADLP COC(=O)c1cccc(OCC[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC000420274395 389976510 /nfs/dbraw/zinc/97/65/10/389976510.db2.gz OMUAHBOWIDPIHX-GFCCVEGCSA-N 2 2 264.325 0.885 20 0 CCADLP COC(=O)c1cccc(OCC[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC000420274395 389976511 /nfs/dbraw/zinc/97/65/11/389976511.db2.gz OMUAHBOWIDPIHX-GFCCVEGCSA-N 2 2 264.325 0.885 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2CCC[C@@H](C)[C@H]2C[NH3+])CCO1 ZINC000420287609 389978499 /nfs/dbraw/zinc/97/84/99/389978499.db2.gz IGHPXVBHJQNYFR-MGPQQGTHSA-N 2 2 255.406 0.766 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2CCC[C@@H](C)[C@H]2C[NH3+])CCO1 ZINC000420287609 389978501 /nfs/dbraw/zinc/97/85/01/389978501.db2.gz IGHPXVBHJQNYFR-MGPQQGTHSA-N 2 2 255.406 0.766 20 0 CCADLP [NH3+]CC[N@H+](CCO)CCC(=O)Nc1ccc(Cl)cc1 ZINC000420305513 389980658 /nfs/dbraw/zinc/98/06/58/389980658.db2.gz KKKSPQYRZMCVLY-UHFFFAOYSA-N 2 2 285.775 0.922 20 0 CCADLP [NH3+]CC[N@@H+](CCO)CCC(=O)Nc1ccc(Cl)cc1 ZINC000420305513 389980659 /nfs/dbraw/zinc/98/06/59/389980659.db2.gz KKKSPQYRZMCVLY-UHFFFAOYSA-N 2 2 285.775 0.922 20 0 CCADLP COC(=O)c1cccc(NC(=O)C[NH2+]CC2([NH3+])CCC2)c1 ZINC000420303662 389980754 /nfs/dbraw/zinc/98/07/54/389980754.db2.gz IAAYFNONYSLTAR-UHFFFAOYSA-N 2 2 291.351 0.883 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC000420304070 389980793 /nfs/dbraw/zinc/98/07/93/389980793.db2.gz IMHOBQIKYNMXKZ-GJZGRUSLSA-N 2 2 295.427 0.842 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC000420304070 389980795 /nfs/dbraw/zinc/98/07/95/389980795.db2.gz IMHOBQIKYNMXKZ-GJZGRUSLSA-N 2 2 295.427 0.842 20 0 CCADLP COC(=O)c1ccc(NC(=O)C[NH2+]CC2([NH3+])CCC2)cc1 ZINC000420307865 389981296 /nfs/dbraw/zinc/98/12/96/389981296.db2.gz NBAJAAOINPUVII-UHFFFAOYSA-N 2 2 291.351 0.883 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000420318062 389982727 /nfs/dbraw/zinc/98/27/27/389982727.db2.gz NSJHEJNITKSKCT-JKXDFHQYSA-N 2 2 267.417 0.922 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCO1 ZINC000420318062 389982729 /nfs/dbraw/zinc/98/27/29/389982729.db2.gz NSJHEJNITKSKCT-JKXDFHQYSA-N 2 2 267.417 0.922 20 0 CCADLP CO[C@H]1CC[N@H+](CCC(=O)OC(C)C)[C@@H](C[NH3+])C1 ZINC000420315716 389982977 /nfs/dbraw/zinc/98/29/77/389982977.db2.gz XHJOEUKLVKAXNT-NEPJUHHUSA-N 2 2 258.362 0.766 20 0 CCADLP CO[C@H]1CC[N@@H+](CCC(=O)OC(C)C)[C@@H](C[NH3+])C1 ZINC000420315716 389982979 /nfs/dbraw/zinc/98/29/79/389982979.db2.gz XHJOEUKLVKAXNT-NEPJUHHUSA-N 2 2 258.362 0.766 20 0 CCADLP O=C(C1C[NH+](C2CCCCC2)C1)N1CC[NH+](CCO)CC1 ZINC000457446203 390044253 /nfs/dbraw/zinc/04/42/53/390044253.db2.gz QZHOTYZZQXLQNX-UHFFFAOYSA-N 2 2 295.427 0.387 20 0 CCADLP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420348551 389987783 /nfs/dbraw/zinc/98/77/83/389987783.db2.gz ADTZECIHDCXGCZ-MISXGVKJSA-N 2 2 297.374 0.643 20 0 CCADLP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420348551 389987786 /nfs/dbraw/zinc/98/77/86/389987786.db2.gz ADTZECIHDCXGCZ-MISXGVKJSA-N 2 2 297.374 0.643 20 0 CCADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420355046 389990058 /nfs/dbraw/zinc/99/00/58/389990058.db2.gz PKWXIFLHZXOKEI-FZMZJTMJSA-N 2 2 297.374 0.597 20 0 CCADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420355046 389990059 /nfs/dbraw/zinc/99/00/59/389990059.db2.gz PKWXIFLHZXOKEI-FZMZJTMJSA-N 2 2 297.374 0.597 20 0 CCADLP CCOc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000420354002 389990325 /nfs/dbraw/zinc/99/03/25/389990325.db2.gz NUSQIELWKDMVMA-YPMHNXCESA-N 2 2 295.383 0.664 20 0 CCADLP CCOc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000420354002 389990327 /nfs/dbraw/zinc/99/03/27/389990327.db2.gz NUSQIELWKDMVMA-YPMHNXCESA-N 2 2 295.383 0.664 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)CC1 ZINC000420358607 389991141 /nfs/dbraw/zinc/99/11/41/389991141.db2.gz FODOFECCQTWKPM-DVOMOZLQSA-N 3 2 296.459 0.563 20 0 CCADLP [NH3+]CCOCC[NH+]1CCN(c2ncccc2Cl)CC1 ZINC000420358888 389991149 /nfs/dbraw/zinc/99/11/49/389991149.db2.gz JSXJURZKMBRDHQ-UHFFFAOYSA-N 2 2 284.791 0.832 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH3+])[C@@H]1CCCN(c2ccccc2)C1=O ZINC000420361064 389991553 /nfs/dbraw/zinc/99/15/53/389991553.db2.gz XTOKKYSZOAGBEY-UONOGXRCSA-N 2 2 277.368 0.433 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH3+])[C@@H]1CCCN(c2ccccc2)C1=O ZINC000420361064 389991555 /nfs/dbraw/zinc/99/15/55/389991555.db2.gz XTOKKYSZOAGBEY-UONOGXRCSA-N 2 2 277.368 0.433 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)Nc1ccncc1 ZINC000420363826 389992780 /nfs/dbraw/zinc/99/27/80/389992780.db2.gz JXFIXLPDBAWTCN-UHIISALHSA-N 2 2 262.357 0.418 20 0 CCADLP CCOC(=O)[C@@H](CC)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420369732 389993461 /nfs/dbraw/zinc/99/34/61/389993461.db2.gz BZWZNSGPFUCRPK-QWHCGFSZSA-N 2 2 295.387 0.715 20 0 CCADLP CCOC(=O)[C@@H](CC)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420369732 389993462 /nfs/dbraw/zinc/99/34/62/389993462.db2.gz BZWZNSGPFUCRPK-QWHCGFSZSA-N 2 2 295.387 0.715 20 0 CCADLP COC[C@](C)(O)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000449384655 389993673 /nfs/dbraw/zinc/99/36/73/389993673.db2.gz NZIMRVAVJTWWFC-YRGRVCCFSA-N 2 2 256.390 0.989 20 0 CCADLP COC[C@](C)(O)CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000449384655 389993674 /nfs/dbraw/zinc/99/36/74/389993674.db2.gz NZIMRVAVJTWWFC-YRGRVCCFSA-N 2 2 256.390 0.989 20 0 CCADLP CCCCNC(=O)NC(=O)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420371831 389993845 /nfs/dbraw/zinc/99/38/45/389993845.db2.gz PTVPQRKZVMGENV-DMDPSCGWSA-N 2 2 284.404 0.588 20 0 CCADLP C[NH2+]CCC[N@H+](C)CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000420384930 389995185 /nfs/dbraw/zinc/99/51/85/389995185.db2.gz FNSDOXFXMOCUHS-CQSZACIVSA-N 2 2 291.395 0.648 20 0 CCADLP C[NH2+]CCC[N@@H+](C)CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000420384930 389995186 /nfs/dbraw/zinc/99/51/86/389995186.db2.gz FNSDOXFXMOCUHS-CQSZACIVSA-N 2 2 291.395 0.648 20 0 CCADLP O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccncc1 ZINC000420393893 389996162 /nfs/dbraw/zinc/99/61/62/389996162.db2.gz KEDHQHHUNADIIN-DZGCQCFKSA-N 2 2 288.395 0.906 20 0 CCADLP O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccncc1 ZINC000420393893 389996163 /nfs/dbraw/zinc/99/61/63/389996163.db2.gz KEDHQHHUNADIIN-DZGCQCFKSA-N 2 2 288.395 0.906 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)CC1 ZINC000420419776 389999785 /nfs/dbraw/zinc/99/97/85/389999785.db2.gz XRGSASQDKYMJDO-QLFBSQMISA-N 3 2 296.459 0.456 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)CC1 ZINC000420419776 389999786 /nfs/dbraw/zinc/99/97/86/389999786.db2.gz XRGSASQDKYMJDO-QLFBSQMISA-N 3 2 296.459 0.456 20 0 CCADLP C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@@H+]1CC(C)(C)O ZINC000492771482 390118472 /nfs/dbraw/zinc/11/84/72/390118472.db2.gz SBBXEGKUUXGJKQ-QMAVJUDZSA-N 2 2 292.383 0.727 20 0 CCADLP C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@H+]1CC(C)(C)O ZINC000492771482 390118473 /nfs/dbraw/zinc/11/84/73/390118473.db2.gz SBBXEGKUUXGJKQ-QMAVJUDZSA-N 2 2 292.383 0.727 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)NCCOCC[NH+](C)C ZINC000471647002 390078091 /nfs/dbraw/zinc/07/80/91/390078091.db2.gz YPGZABSKCCRELY-UHFFFAOYSA-N 2 2 297.403 0.493 20 0 CCADLP CC(C)CN1C[C@H]2C[N@H+](CCn3cc[nH+]c3)CCN2C1=O ZINC000488793908 390096489 /nfs/dbraw/zinc/09/64/89/390096489.db2.gz JAIWZPOWPJTHHV-CQSZACIVSA-N 2 2 291.399 0.961 20 0 CCADLP CC(C)CN1C[C@H]2C[N@@H+](CCn3cc[nH+]c3)CCN2C1=O ZINC000488793908 390096490 /nfs/dbraw/zinc/09/64/90/390096490.db2.gz JAIWZPOWPJTHHV-CQSZACIVSA-N 2 2 291.399 0.961 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(c2nc(C)[nH+]c(N(C)C)n2)CC1 ZINC000489948666 390103017 /nfs/dbraw/zinc/10/30/17/390103017.db2.gz JWHADECZFFRNLM-GFCCVEGCSA-N 2 2 294.403 0.139 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC000457724214 390048785 /nfs/dbraw/zinc/04/87/85/390048785.db2.gz PMRQZMQJGXPCBS-ZDUSSCGKSA-N 2 2 269.389 0.304 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC000457724214 390048786 /nfs/dbraw/zinc/04/87/86/390048786.db2.gz PMRQZMQJGXPCBS-ZDUSSCGKSA-N 2 2 269.389 0.304 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)C1 ZINC000457717855 390048810 /nfs/dbraw/zinc/04/88/10/390048810.db2.gz JIKDANWZGLUPIW-CYBMUJFWSA-N 2 2 251.374 0.822 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C2CC2)C1 ZINC000457717855 390048811 /nfs/dbraw/zinc/04/88/11/390048811.db2.gz JIKDANWZGLUPIW-CYBMUJFWSA-N 2 2 251.374 0.822 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC000457727840 390049036 /nfs/dbraw/zinc/04/90/36/390049036.db2.gz JETFEERWCHJNKQ-GFCCVEGCSA-N 2 2 262.357 0.969 20 0 CCADLP CC(C)CNC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814332 390179369 /nfs/dbraw/zinc/17/93/69/390179369.db2.gz JBDZQBCXTSQPGT-UHFFFAOYSA-N 2 2 253.390 0.975 20 0 CCADLP CC(C)CNC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814332 390179373 /nfs/dbraw/zinc/17/93/73/390179373.db2.gz JBDZQBCXTSQPGT-UHFFFAOYSA-N 2 2 253.390 0.975 20 0 CCADLP C[C@H](c1nc(C2CC2)no1)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835589 390185606 /nfs/dbraw/zinc/18/56/06/390185606.db2.gz DKBITFHBORFOTH-LLVKDONJSA-N 2 2 279.388 0.845 20 0 CCADLP C[C@H](c1nc(C2CC2)no1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835589 390185609 /nfs/dbraw/zinc/18/56/09/390185609.db2.gz DKBITFHBORFOTH-LLVKDONJSA-N 2 2 279.388 0.845 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)/C=C/C[NH+](C)C ZINC000493288818 390122513 /nfs/dbraw/zinc/12/25/13/390122513.db2.gz NUFAUNILZNBDFN-URWSZGRFSA-N 2 2 269.389 0.283 20 0 CCADLP CS[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@@H]1[NH+](C)C ZINC000493834670 390128405 /nfs/dbraw/zinc/12/84/05/390128405.db2.gz GYRTXVIJJMQLJQ-KBIXYVOKSA-N 2 2 280.397 0.927 20 0 CCADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493858626 390130055 /nfs/dbraw/zinc/13/00/55/390130055.db2.gz SQFOFLHHHZSVOI-FYJFLYSWSA-N 2 2 280.372 0.896 20 0 CCADLP C[NH+]1CCN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)[C@@H](C[NH3+])C1 ZINC000578980906 390130178 /nfs/dbraw/zinc/13/01/78/390130178.db2.gz YHQXQKUWNQZJLG-KBPBESRZSA-N 3 2 297.447 0.003 20 0 CCADLP C[NH+]1CCC[C@@H](CCNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000578980906 390130183 /nfs/dbraw/zinc/13/01/83/390130183.db2.gz YHQXQKUWNQZJLG-KBPBESRZSA-N 3 2 297.447 0.003 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000493866188 390130714 /nfs/dbraw/zinc/13/07/14/390130714.db2.gz BBNKMNUXODZDSU-PGLGOXFNSA-N 2 2 264.329 0.102 20 0 CCADLP O=C(C[C@@H]1COCC[NH2+]1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000644150278 390148304 /nfs/dbraw/zinc/14/83/04/390148304.db2.gz BGROSIZVBKOQNM-CHWSQXEVSA-N 2 2 290.367 0.155 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536069282 390156845 /nfs/dbraw/zinc/15/68/45/390156845.db2.gz YYMXPYDUWXPFBV-QWHCGFSZSA-N 2 2 294.399 0.751 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000536069282 390156848 /nfs/dbraw/zinc/15/68/48/390156848.db2.gz YYMXPYDUWXPFBV-QWHCGFSZSA-N 2 2 294.399 0.751 20 0 CCADLP Cc1cc(N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)nc[nH+]1 ZINC000644181088 390157623 /nfs/dbraw/zinc/15/76/23/390157623.db2.gz CEPPTLLYFDJXHJ-NWDGAFQWSA-N 2 2 258.329 0.450 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1 ZINC000644228615 390169628 /nfs/dbraw/zinc/16/96/28/390169628.db2.gz PZJWFQHZIVPFQH-MJBXVCDLSA-N 2 2 292.383 0.446 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1 ZINC000644228615 390169631 /nfs/dbraw/zinc/16/96/31/390169631.db2.gz PZJWFQHZIVPFQH-MJBXVCDLSA-N 2 2 292.383 0.446 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1 ZINC000644228615 390169637 /nfs/dbraw/zinc/16/96/37/390169637.db2.gz PZJWFQHZIVPFQH-MJBXVCDLSA-N 2 2 292.383 0.446 20 0 CCADLP COCCN1CC[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000494391108 390170379 /nfs/dbraw/zinc/17/03/79/390170379.db2.gz JBOMBLPKSSJMFX-OLZOCXBDSA-N 2 2 264.373 0.508 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1 ZINC000644230237 390171028 /nfs/dbraw/zinc/17/10/28/390171028.db2.gz GVZBEOXRAZBDFN-XQQFMLRXSA-N 2 2 292.383 0.446 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1 ZINC000644230237 390171031 /nfs/dbraw/zinc/17/10/31/390171031.db2.gz GVZBEOXRAZBDFN-XQQFMLRXSA-N 2 2 292.383 0.446 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2CCCC[C@H]2O)C[C@H](C)O1 ZINC000579712820 390201308 /nfs/dbraw/zinc/20/13/08/390201308.db2.gz WVBWIEMTGFIFOZ-XLWJZTARSA-N 2 2 286.416 0.350 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2CCCC[C@H]2O)C[C@H](C)O1 ZINC000579712820 390201310 /nfs/dbraw/zinc/20/13/10/390201310.db2.gz WVBWIEMTGFIFOZ-XLWJZTARSA-N 2 2 286.416 0.350 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)c2nnnn2C2CC2)C1 ZINC000647906694 390213894 /nfs/dbraw/zinc/21/38/94/390213894.db2.gz LIAQRJBIOKAHNS-LPEHRKFASA-N 2 2 250.350 0.738 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2nnnn2C2CC2)C1 ZINC000647906694 390213897 /nfs/dbraw/zinc/21/38/97/390213897.db2.gz LIAQRJBIOKAHNS-LPEHRKFASA-N 2 2 250.350 0.738 20 0 CCADLP CCc1noc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)n1 ZINC000647909634 390214818 /nfs/dbraw/zinc/21/48/18/390214818.db2.gz QIJCXIAWGRMPQH-LLVKDONJSA-N 2 2 293.371 0.028 20 0 CCADLP CCc1noc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)n1 ZINC000647909634 390214821 /nfs/dbraw/zinc/21/48/21/390214821.db2.gz QIJCXIAWGRMPQH-LLVKDONJSA-N 2 2 293.371 0.028 20 0 CCADLP Cc1noc([C@@H](C)[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)n1 ZINC000647909618 390215038 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O=C1OCC[C@H]2C[N@H+](CCCn3cc[nH+]c3)CCN12 ZINC000494713894 390196284 /nfs/dbraw/zinc/19/62/84/390196284.db2.gz XFAZXSNUBCSHAD-LBPRGKRZSA-N 2 2 264.329 0.800 20 0 CCADLP O=C1OCC[C@H]2C[N@@H+](CCCn3cc[nH+]c3)CCN12 ZINC000494713894 390196286 /nfs/dbraw/zinc/19/62/86/390196286.db2.gz XFAZXSNUBCSHAD-LBPRGKRZSA-N 2 2 264.329 0.800 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(c2nc[nH+]c3c2OCCN3)C[C@@H]1C ZINC000647867278 390199294 /nfs/dbraw/zinc/19/92/94/390199294.db2.gz DKZJMOHWRJOFSF-WDEREUQCSA-N 2 2 293.371 0.172 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(c2nc[nH+]c3c2OCCN3)C[C@@H]1C ZINC000647867278 390199298 /nfs/dbraw/zinc/19/92/98/390199298.db2.gz DKZJMOHWRJOFSF-WDEREUQCSA-N 2 2 293.371 0.172 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000580317245 390237638 /nfs/dbraw/zinc/23/76/38/390237638.db2.gz RGRZRHRYUUNUAM-DGCLKSJQSA-N 2 2 272.352 0.782 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC000281678970 195332334 /nfs/dbraw/zinc/33/23/34/195332334.db2.gz 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ZINC000644519093 390242869 /nfs/dbraw/zinc/24/28/69/390242869.db2.gz RTLQILBZRGPHJH-HNNXBMFYSA-N 2 2 291.395 0.591 20 0 CCADLP CNC(=O)c1cccc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000644519093 390242872 /nfs/dbraw/zinc/24/28/72/390242872.db2.gz RTLQILBZRGPHJH-HNNXBMFYSA-N 2 2 291.395 0.591 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]CCOC[C@@H]1CCOC1)C1CC1 ZINC000644558194 390252132 /nfs/dbraw/zinc/25/21/32/390252132.db2.gz VNZFSGQCHKPQJR-TZMCWYRMSA-N 2 2 272.389 0.084 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]CCOC[C@@H]1CCOC1)C1CC1 ZINC000644558194 390252134 /nfs/dbraw/zinc/25/21/34/390252134.db2.gz VNZFSGQCHKPQJR-TZMCWYRMSA-N 2 2 272.389 0.084 20 0 CCADLP Cc1cccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000582230477 390271045 /nfs/dbraw/zinc/27/10/45/390271045.db2.gz URQRJFVVDNUGIV-AWEZNQCLSA-N 2 2 276.384 0.779 20 0 CCADLP Cc1cccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000582230477 390271047 /nfs/dbraw/zinc/27/10/47/390271047.db2.gz URQRJFVVDNUGIV-AWEZNQCLSA-N 2 2 276.384 0.779 20 0 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390326829 /nfs/dbraw/zinc/32/68/29/390326829.db2.gz CGHPUDJXXXKQAN-CQSZACIVSA-N 2 2 299.415 0.606 20 0 CCADLP CCOC(=O)N1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000496251284 390326830 /nfs/dbraw/zinc/32/68/30/390326830.db2.gz CGHPUDJXXXKQAN-CQSZACIVSA-N 2 2 299.415 0.606 20 0 CCADLP CCOC(=O)N1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000496251284 390326835 /nfs/dbraw/zinc/32/68/35/390326835.db2.gz CGHPUDJXXXKQAN-CQSZACIVSA-N 2 2 299.415 0.606 20 0 CCADLP C[C@H](C[C@@H]1CCCO1)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000584399782 390339318 /nfs/dbraw/zinc/33/93/18/390339318.db2.gz SJHPBASESAEBQZ-UPJWGTAASA-N 2 2 284.404 0.228 20 0 CCADLP C[C@H](C[C@@H]1CCCO1)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000584399782 390339319 /nfs/dbraw/zinc/33/93/19/390339319.db2.gz SJHPBASESAEBQZ-UPJWGTAASA-N 2 2 284.404 0.228 20 0 CCADLP COc1c(N)[nH+]cnc1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000584421078 390343267 /nfs/dbraw/zinc/34/32/67/390343267.db2.gz BGFHKGZUDKIUGL-UHFFFAOYSA-N 2 2 275.316 0.117 20 0 CCADLP COc1c(N)nc[nH+]c1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000584421078 390343270 /nfs/dbraw/zinc/34/32/70/390343270.db2.gz BGFHKGZUDKIUGL-UHFFFAOYSA-N 2 2 275.316 0.117 20 0 CCADLP Nc1[nH+]cnc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1Cl ZINC000584510642 390350692 /nfs/dbraw/zinc/35/06/92/390350692.db2.gz DSNCRTZSPMXHGY-DTORHVGOSA-N 2 2 283.763 0.409 20 0 CCADLP Nc1[nH+]cnc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1Cl ZINC000584510642 390350695 /nfs/dbraw/zinc/35/06/95/390350695.db2.gz DSNCRTZSPMXHGY-DTORHVGOSA-N 2 2 283.763 0.409 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@@H]1[NH2+]CC1(C)C)[NH+]1CCOCC1 ZINC000645302731 390406468 /nfs/dbraw/zinc/40/64/68/390406468.db2.gz RNTNRQDKZMINOV-STQMWFEESA-N 2 2 283.416 0.457 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]C2CN(c3ccncn3)C2)CC[N@@H+]1C ZINC000631746800 390408676 /nfs/dbraw/zinc/40/86/76/390408676.db2.gz SAERBXYWIXIOCP-RYUDHWBXSA-N 2 2 261.373 0.738 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]C2CN(c3ccncn3)C2)CC[N@H+]1C ZINC000631746800 390408681 /nfs/dbraw/zinc/40/86/81/390408681.db2.gz SAERBXYWIXIOCP-RYUDHWBXSA-N 2 2 261.373 0.738 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000554077520 390421358 /nfs/dbraw/zinc/42/13/58/390421358.db2.gz QEULTKLBABOMNS-ZDUSSCGKSA-N 2 2 290.367 0.096 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000554077520 390421361 /nfs/dbraw/zinc/42/13/61/390421361.db2.gz QEULTKLBABOMNS-ZDUSSCGKSA-N 2 2 290.367 0.096 20 0 CCADLP CN(C)C(=O)O[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000497156710 390427917 /nfs/dbraw/zinc/42/79/17/390427917.db2.gz ZTARYKHYQPXLPX-UONOGXRCSA-N 2 2 299.415 0.604 20 0 CCADLP CN(C)C(=O)O[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000497156710 390427921 /nfs/dbraw/zinc/42/79/21/390427921.db2.gz ZTARYKHYQPXLPX-UONOGXRCSA-N 2 2 299.415 0.604 20 0 CCADLP CN(C)C(=O)O[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000497156710 390427924 /nfs/dbraw/zinc/42/79/24/390427924.db2.gz ZTARYKHYQPXLPX-UONOGXRCSA-N 2 2 299.415 0.604 20 0 CCADLP CN(C)C(=O)O[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000497156710 390427927 /nfs/dbraw/zinc/42/79/27/390427927.db2.gz ZTARYKHYQPXLPX-UONOGXRCSA-N 2 2 299.415 0.604 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648736008 390397670 /nfs/dbraw/zinc/39/76/70/390397670.db2.gz FOVOBAUHXCHNBA-IJLUTSLNSA-N 2 2 250.346 0.728 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648736008 390397673 /nfs/dbraw/zinc/39/76/73/390397673.db2.gz FOVOBAUHXCHNBA-IJLUTSLNSA-N 2 2 250.346 0.728 20 0 CCADLP C[NH+]1CCC2(CC1)CN(C(=O)CCn1cc[nH+]c1)CCO2 ZINC000649132634 390496401 /nfs/dbraw/zinc/49/64/01/390496401.db2.gz IJTLSMAZPNNKLQ-UHFFFAOYSA-N 2 2 292.383 0.596 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC2CC(C)(C)C2)[C@@H](C[NH3+])C1 ZINC000565411299 390510835 /nfs/dbraw/zinc/51/08/35/390510835.db2.gz OWPXBLYIZUQXPY-LBPRGKRZSA-N 2 2 268.405 0.707 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC2CC(C)(C)C2)[C@@H](C[NH3+])C1 ZINC000565411299 390510837 /nfs/dbraw/zinc/51/08/37/390510837.db2.gz OWPXBLYIZUQXPY-LBPRGKRZSA-N 2 2 268.405 0.707 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648920264 390445549 /nfs/dbraw/zinc/44/55/49/390445549.db2.gz VWUNIGBCSCMSFQ-GHMZBOCLSA-N 2 2 250.346 0.859 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648920264 390445552 /nfs/dbraw/zinc/44/55/52/390445552.db2.gz VWUNIGBCSCMSFQ-GHMZBOCLSA-N 2 2 250.346 0.859 20 0 CCADLP Cc1cc(CNC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cc(C)[nH+]1 ZINC000643439281 390447151 /nfs/dbraw/zinc/44/71/51/390447151.db2.gz JEXQMKSPNHCGEC-JSGCOSHPSA-N 2 2 292.383 0.956 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000643452404 390448000 /nfs/dbraw/zinc/44/80/00/390448000.db2.gz RLRJJXBJJAKBOC-IJEWVQPXSA-N 3 2 280.460 0.743 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000643452404 390448002 /nfs/dbraw/zinc/44/80/02/390448002.db2.gz RLRJJXBJJAKBOC-IJEWVQPXSA-N 3 2 280.460 0.743 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000643452404 390448004 /nfs/dbraw/zinc/44/80/04/390448004.db2.gz RLRJJXBJJAKBOC-IJEWVQPXSA-N 3 2 280.460 0.743 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC(=O)Nc1ccccn1 ZINC000643469681 390450673 /nfs/dbraw/zinc/45/06/73/390450673.db2.gz ZSHNSLNFRBZPIB-VXGBXAGGSA-N 2 2 262.357 0.998 20 0 CCADLP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000643472299 390451835 /nfs/dbraw/zinc/45/18/35/390451835.db2.gz UEVZGOGPZBBUKR-LSDHHAIUSA-N 3 2 296.459 0.661 20 0 CCADLP Cc1nc([C@@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)c(C)s1 ZINC000643500449 390457102 /nfs/dbraw/zinc/45/71/02/390457102.db2.gz KHGPNDNWAVBGGV-SECBINFHSA-N 2 2 282.413 0.842 20 0 CCADLP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643536441 390461566 /nfs/dbraw/zinc/46/15/66/390461566.db2.gz QVQJLGPEHFGRIM-SRVKXCTJSA-N 2 2 259.369 0.923 20 0 CCADLP C[C@H]1COCCN1CC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000515863121 390477418 /nfs/dbraw/zinc/47/74/18/390477418.db2.gz JSIYQKXVOSUPKN-KBPBESRZSA-N 2 2 278.400 0.930 20 0 CCADLP C[C@H]1COCCN1CC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000515863121 390477426 /nfs/dbraw/zinc/47/74/26/390477426.db2.gz JSIYQKXVOSUPKN-KBPBESRZSA-N 2 2 278.400 0.930 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+][C@H]2CC2(C)C)C[C@H](C)O1 ZINC000520569060 390580461 /nfs/dbraw/zinc/58/04/61/390580461.db2.gz RIPOVTJWOJCBBC-RNJOBUHISA-N 2 2 256.390 0.845 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+][C@H]2CC2(C)C)C[C@H](C)O1 ZINC000520569060 390580464 /nfs/dbraw/zinc/58/04/64/390580464.db2.gz RIPOVTJWOJCBBC-RNJOBUHISA-N 2 2 256.390 0.845 20 0 CCADLP O=C(NCc1ccn2cc[nH+]c2c1)[C@]12C[C@H]1CC[NH2+]2 ZINC000649336427 390592664 /nfs/dbraw/zinc/59/26/64/390592664.db2.gz TVGGSBCNDBLSIU-RISCZKNCSA-N 2 2 256.309 0.703 20 0 CCADLP C[C@@H]1CN(CCCc2c[nH+]cn2C)CC[N@@H+]1CCO ZINC000565782043 390545440 /nfs/dbraw/zinc/54/54/40/390545440.db2.gz BWNRPLYUHKGYLQ-CYBMUJFWSA-N 2 2 266.389 0.351 20 0 CCADLP C[C@@H]1CN(CCCc2c[nH+]cn2C)CC[N@H+]1CCO ZINC000565782043 390545446 /nfs/dbraw/zinc/54/54/46/390545446.db2.gz BWNRPLYUHKGYLQ-CYBMUJFWSA-N 2 2 266.389 0.351 20 0 CCADLP C[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)CCN1CCO ZINC000565782043 390545450 /nfs/dbraw/zinc/54/54/50/390545450.db2.gz BWNRPLYUHKGYLQ-CYBMUJFWSA-N 2 2 266.389 0.351 20 0 CCADLP C[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)CCN1CCO ZINC000565782043 390545455 /nfs/dbraw/zinc/54/54/55/390545455.db2.gz BWNRPLYUHKGYLQ-CYBMUJFWSA-N 2 2 266.389 0.351 20 0 CCADLP COC[C@]1(C(=O)NCc2ccc(N(C)C)[nH+]c2)CCC[NH2+]1 ZINC000649292925 390553215 /nfs/dbraw/zinc/55/32/15/390553215.db2.gz MCADUJNCDQHMAS-HNNXBMFYSA-N 2 2 292.383 0.532 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645977557 390555961 /nfs/dbraw/zinc/55/59/61/390555961.db2.gz HJNXGGXPZRXMFJ-GZBFAFLISA-N 3 2 294.443 0.269 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645977557 390555963 /nfs/dbraw/zinc/55/59/63/390555963.db2.gz HJNXGGXPZRXMFJ-GZBFAFLISA-N 3 2 294.443 0.269 20 0 CCADLP CN(CCC[N@H+](C)Cc1cnnn1C)CC[NH+](C)C ZINC000565920529 390558302 /nfs/dbraw/zinc/55/83/02/390558302.db2.gz ZUHPSBPKSIPEMF-UHFFFAOYSA-N 2 2 268.409 0.130 20 0 CCADLP CN(CCC[N@@H+](C)Cc1cnnn1C)CC[NH+](C)C ZINC000565920529 390558304 /nfs/dbraw/zinc/55/83/04/390558304.db2.gz ZUHPSBPKSIPEMF-UHFFFAOYSA-N 2 2 268.409 0.130 20 0 CCADLP COCCn1cc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cn1 ZINC000566005713 390566500 /nfs/dbraw/zinc/56/65/00/390566500.db2.gz CMHWOYHYPDNWQE-AWEZNQCLSA-N 2 2 282.388 0.074 20 0 CCADLP COCC[NH2+]CC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000649306306 390566504 /nfs/dbraw/zinc/56/65/04/390566504.db2.gz LIISISFDLHJCKW-UHFFFAOYSA-N 2 2 277.368 0.354 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)C[NH+]2CCC(C)(C)C2)CCO1 ZINC000566018990 390568513 /nfs/dbraw/zinc/56/85/13/390568513.db2.gz VRWVBIWQIIOBFM-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)C[NH+]2CCC(C)(C)C2)CCO1 ZINC000566018990 390568517 /nfs/dbraw/zinc/56/85/17/390568517.db2.gz VRWVBIWQIIOBFM-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)C[N@@H+]2CCC(C)(C)C2)CCO1 ZINC000566018990 390568520 /nfs/dbraw/zinc/56/85/20/390568520.db2.gz VRWVBIWQIIOBFM-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)C1CC[NH+](C)CC1 ZINC000649314914 390573219 /nfs/dbraw/zinc/57/32/19/390573219.db2.gz WRLTZRLFJRICSP-KOLCDFICSA-N 2 2 275.343 0.830 20 0 CCADLP C[C@H]1C(=O)NCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000566073602 390574604 /nfs/dbraw/zinc/57/46/04/390574604.db2.gz MUDBDRXXYSZIRA-NSHDSACASA-N 2 2 259.353 0.653 20 0 CCADLP C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000566073602 390574610 /nfs/dbraw/zinc/57/46/10/390574610.db2.gz MUDBDRXXYSZIRA-NSHDSACASA-N 2 2 259.353 0.653 20 0 CCADLP O=c1c2ccccc2ncn1CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000522002675 390619061 /nfs/dbraw/zinc/61/90/61/390619061.db2.gz YVZKMXDXJKEHGW-KGLIPLIRSA-N 2 2 298.390 0.938 20 0 CCADLP O=c1c2ccccc2ncn1CC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000522002675 390619063 /nfs/dbraw/zinc/61/90/63/390619063.db2.gz YVZKMXDXJKEHGW-KGLIPLIRSA-N 2 2 298.390 0.938 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3ccc(F)c(F)c3)CCN2C1=O ZINC000566490097 390621723 /nfs/dbraw/zinc/62/17/23/390621723.db2.gz CNJYPECWHLBBNC-MFKMUULPSA-N 2 2 281.306 0.709 20 0 CCADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3)CCN2C1=O ZINC000566490097 390621727 /nfs/dbraw/zinc/62/17/27/390621727.db2.gz CNJYPECWHLBBNC-MFKMUULPSA-N 2 2 281.306 0.709 20 0 CCADLP Cc1[nH]c(CNC[C@H]2C[N@@H+](C)CCN2C)[nH+]c1C ZINC000566496147 390623542 /nfs/dbraw/zinc/62/35/42/390623542.db2.gz BWPIEKBKUSANBF-LBPRGKRZSA-N 2 2 251.378 0.362 20 0 CCADLP Cc1[nH]c(CNC[C@H]2C[N@H+](C)CCN2C)[nH+]c1C ZINC000566496147 390623546 /nfs/dbraw/zinc/62/35/46/390623546.db2.gz BWPIEKBKUSANBF-LBPRGKRZSA-N 2 2 251.378 0.362 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000522144916 390627312 /nfs/dbraw/zinc/62/73/12/390627312.db2.gz YDSLWMBCHSRSDA-LBPRGKRZSA-N 2 2 276.384 0.830 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000522144916 390627315 /nfs/dbraw/zinc/62/73/15/390627315.db2.gz YDSLWMBCHSRSDA-LBPRGKRZSA-N 2 2 276.384 0.830 20 0 CCADLP C[C@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C[NH+]1CCCC1 ZINC000566550758 390627812 /nfs/dbraw/zinc/62/78/12/390627812.db2.gz LQAVYJJORMKOKK-KGLIPLIRSA-N 3 2 297.447 0.003 20 0 CCADLP C[C@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C[NH+]1CCCC1 ZINC000566550758 390627815 /nfs/dbraw/zinc/62/78/15/390627815.db2.gz LQAVYJJORMKOKK-KGLIPLIRSA-N 3 2 297.447 0.003 20 0 CCADLP Cc1cc(C)c(CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])c[nH+]1 ZINC000566561531 390628597 /nfs/dbraw/zinc/62/85/97/390628597.db2.gz ITEKGUBPBDRRRA-JQWIXIFHSA-N 2 2 292.383 0.557 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@@H](C)CN2CCCC2=O)n1C ZINC000566631846 390635818 /nfs/dbraw/zinc/63/58/18/390635818.db2.gz ZFPGHWZETAKKMO-JTQLQIEISA-N 2 2 250.346 0.829 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)[C@H](C[NH3+])C1 ZINC000566668177 390636858 /nfs/dbraw/zinc/63/68/58/390636858.db2.gz ZYAKMVSBJZBAPF-RQJABVFESA-N 2 2 296.415 0.228 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)[C@H](C[NH3+])C1 ZINC000566668177 390636859 /nfs/dbraw/zinc/63/68/59/390636859.db2.gz ZYAKMVSBJZBAPF-RQJABVFESA-N 2 2 296.415 0.228 20 0 CCADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCOCCO)CC1 ZINC000566746137 390644098 /nfs/dbraw/zinc/64/40/98/390644098.db2.gz VHSOOHZMSJFWOV-CYBMUJFWSA-N 2 2 272.389 0.180 20 0 CCADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCOCCO)CC1 ZINC000566746137 390644099 /nfs/dbraw/zinc/64/40/99/390644099.db2.gz VHSOOHZMSJFWOV-CYBMUJFWSA-N 2 2 272.389 0.180 20 0 CCADLP CC(C)([NH3+])C[NH+]1CCC(N2CCCS2(=O)=O)CC1 ZINC000566796592 390648840 /nfs/dbraw/zinc/64/88/40/390648840.db2.gz KQTZSNOBVYPEQH-UHFFFAOYSA-N 2 2 275.418 0.224 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]([NH3+])CC(F)F ZINC000566191212 390595110 /nfs/dbraw/zinc/59/51/10/390595110.db2.gz ZCNORRBKOREFIE-VIFPVBQESA-N 2 2 260.288 0.714 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NCc1cccnc1 ZINC000566412800 390597366 /nfs/dbraw/zinc/59/73/66/390597366.db2.gz LBWXRRXFSFFEAB-YPMHNXCESA-N 2 2 262.357 0.509 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NCc1cccnc1 ZINC000566412800 390597368 /nfs/dbraw/zinc/59/73/68/390597368.db2.gz LBWXRRXFSFFEAB-YPMHNXCESA-N 2 2 262.357 0.509 20 0 CCADLP CN(C(=O)C[NH+]1CC(C)(C)C1)[C@@H]1CCC[N@H+](C)C1 ZINC000566923254 390659761 /nfs/dbraw/zinc/65/97/61/390659761.db2.gz HCKHJZSVMYEZSU-GFCCVEGCSA-N 2 2 253.390 0.881 20 0 CCADLP CN(C(=O)C[NH+]1CC(C)(C)C1)[C@@H]1CCC[N@@H+](C)C1 ZINC000566923254 390659762 /nfs/dbraw/zinc/65/97/62/390659762.db2.gz HCKHJZSVMYEZSU-GFCCVEGCSA-N 2 2 253.390 0.881 20 0 CCADLP C[NH+](C)C1CC(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000646108607 390601144 /nfs/dbraw/zinc/60/11/44/390601144.db2.gz HOFVARTUZNGZKU-PESDSKBTSA-N 2 2 295.427 0.839 20 0 CCADLP C[NH+](C)C1CC(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000646108607 390601146 /nfs/dbraw/zinc/60/11/46/390601146.db2.gz HOFVARTUZNGZKU-PESDSKBTSA-N 2 2 295.427 0.839 20 0 CCADLP CCOC(=O)C1(O)CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000521267087 390601581 /nfs/dbraw/zinc/60/15/81/390601581.db2.gz LOQJQTCQNYCEHG-UHFFFAOYSA-N 2 2 295.383 0.743 20 0 CCADLP COC[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)CCO1 ZINC000566922317 390659902 /nfs/dbraw/zinc/65/99/02/390659902.db2.gz AAXCBKFIMYHOTH-ZDUSSCGKSA-N 2 2 253.346 0.700 20 0 CCADLP COC[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)CCO1 ZINC000566922317 390659906 /nfs/dbraw/zinc/65/99/06/390659906.db2.gz AAXCBKFIMYHOTH-ZDUSSCGKSA-N 2 2 253.346 0.700 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](OC)[C@@H](C)C1 ZINC000566429223 390603655 /nfs/dbraw/zinc/60/36/55/390603655.db2.gz PNSGJNDGGNCUBW-MELADBBJSA-N 2 2 274.405 0.282 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](OC)[C@@H](C)C1 ZINC000566429223 390603658 /nfs/dbraw/zinc/60/36/58/390603658.db2.gz PNSGJNDGGNCUBW-MELADBBJSA-N 2 2 274.405 0.282 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](OC)[C@@H](C)C1 ZINC000566429223 390603661 /nfs/dbraw/zinc/60/36/61/390603661.db2.gz PNSGJNDGGNCUBW-MELADBBJSA-N 2 2 274.405 0.282 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](OC)[C@@H](C)C1 ZINC000566429223 390603664 /nfs/dbraw/zinc/60/36/64/390603664.db2.gz PNSGJNDGGNCUBW-MELADBBJSA-N 2 2 274.405 0.282 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000646137254 390615532 /nfs/dbraw/zinc/61/55/32/390615532.db2.gz RHRXTHOTCLAOQG-CYBMUJFWSA-N 2 2 283.416 0.554 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C12CCC2)[C@H]1CCn2cc[nH+]c2C1 ZINC000527595922 390717409 /nfs/dbraw/zinc/71/74/09/390717409.db2.gz XQETZFPQHMLTLW-RYUDHWBXSA-N 2 2 274.368 0.846 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000527902208 390725516 /nfs/dbraw/zinc/72/55/16/390725516.db2.gz SZYDSEJGJXNSCU-UHFFFAOYSA-N 2 2 273.340 0.969 20 0 CCADLP CC(C)[NH+]1CCC(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000646835410 390726109 /nfs/dbraw/zinc/72/61/09/390726109.db2.gz YDSHTHIAVXMUQD-AWEZNQCLSA-N 3 2 282.432 0.208 20 0 CCADLP CC(C)[NH+]1CCC(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000646835410 390726110 /nfs/dbraw/zinc/72/61/10/390726110.db2.gz YDSHTHIAVXMUQD-AWEZNQCLSA-N 3 2 282.432 0.208 20 0 CCADLP Cc1ccc(C)c(OCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000646835541 390726338 /nfs/dbraw/zinc/72/63/38/390726338.db2.gz ZHRGSDAZNDALKU-CQSZACIVSA-N 2 2 291.395 0.784 20 0 CCADLP Cc1ccc(C)c(OCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000646835541 390726341 /nfs/dbraw/zinc/72/63/41/390726341.db2.gz ZHRGSDAZNDALKU-CQSZACIVSA-N 2 2 291.395 0.784 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)CCO1 ZINC000646851187 390730018 /nfs/dbraw/zinc/73/00/18/390730018.db2.gz PZDNXSIRIJCOOY-PWSUYJOCSA-N 2 2 274.324 0.523 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@H]2CCCSC2)C[C@H](C)O1 ZINC000567103490 390671836 /nfs/dbraw/zinc/67/18/36/390671836.db2.gz FPWWCMQXBOIUJP-RFQIPJPRSA-N 2 2 288.457 0.942 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@H]2CCCSC2)C[C@H](C)O1 ZINC000567103490 390671837 /nfs/dbraw/zinc/67/18/37/390671837.db2.gz FPWWCMQXBOIUJP-RFQIPJPRSA-N 2 2 288.457 0.942 20 0 CCADLP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000646368463 390673574 /nfs/dbraw/zinc/67/35/74/390673574.db2.gz GESBHNCPLAQNHL-STQMWFEESA-N 2 2 297.362 0.949 20 0 CCADLP CC(C)C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH+](C)C ZINC000567297534 390692210 /nfs/dbraw/zinc/69/22/10/390692210.db2.gz ZHROOCRYFTWCOO-LBPRGKRZSA-N 2 2 252.362 0.976 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)CC2CC[NH2+]CC2)CCO1 ZINC000571764302 390751830 /nfs/dbraw/zinc/75/18/30/390751830.db2.gz ULOGUVFKFFRKTE-LBPRGKRZSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)CC2CC[NH2+]CC2)CCO1 ZINC000571764302 390751832 /nfs/dbraw/zinc/75/18/32/390751832.db2.gz ULOGUVFKFFRKTE-LBPRGKRZSA-N 2 2 269.389 0.213 20 0 CCADLP CC[C@@H]1CN(C(=O)C[N@H+](C)CC(=O)NC(C)C)CC[C@H]1[NH3+] ZINC000647005497 390756566 /nfs/dbraw/zinc/75/65/66/390756566.db2.gz AURISAOYXFANOG-CHWSQXEVSA-N 2 2 298.431 0.029 20 0 CCADLP CC[C@@H]1CN(C(=O)C[N@@H+](C)CC(=O)NC(C)C)CC[C@H]1[NH3+] ZINC000647005497 390756568 /nfs/dbraw/zinc/75/65/68/390756568.db2.gz AURISAOYXFANOG-CHWSQXEVSA-N 2 2 298.431 0.029 20 0 CCADLP C[C@@H]([NH3+])CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000647021418 390759059 /nfs/dbraw/zinc/75/90/59/390759059.db2.gz OSPRXRRTIXOYIZ-ZYHUDNBSSA-N 2 2 255.362 0.093 20 0 CCADLP C[C@@H]([NH3+])CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000647021418 390759061 /nfs/dbraw/zinc/75/90/61/390759061.db2.gz OSPRXRRTIXOYIZ-ZYHUDNBSSA-N 2 2 255.362 0.093 20 0 CCADLP OC[C@]1([NH2+]Cc2c[nH+]c[nH]2)COc2ccccc2C1 ZINC000528647160 390765901 /nfs/dbraw/zinc/76/59/01/390765901.db2.gz VLVCKBHZSNSACV-AWEZNQCLSA-N 2 2 259.309 0.866 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528756312 390775531 /nfs/dbraw/zinc/77/55/31/390775531.db2.gz UDWAARUYTHZNIB-GASCZTMLSA-N 2 2 281.400 0.666 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528756312 390775532 /nfs/dbraw/zinc/77/55/32/390775532.db2.gz UDWAARUYTHZNIB-GASCZTMLSA-N 2 2 281.400 0.666 20 0 CCADLP CC(C)[C@@H]1C[C@@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CCO1 ZINC000572262238 390775688 /nfs/dbraw/zinc/77/56/88/390775688.db2.gz CUZSGYNXQBHYQD-MJBXVCDLSA-N 2 2 298.431 0.474 20 0 CCADLP CSC[C@@H](O)C[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000572322433 390778375 /nfs/dbraw/zinc/77/83/75/390778375.db2.gz AOTARYHRZGSTCV-JSGCOSHPSA-N 2 2 288.457 0.895 20 0 CCADLP CSC[C@@H](O)C[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000572322433 390778378 /nfs/dbraw/zinc/77/83/78/390778378.db2.gz AOTARYHRZGSTCV-JSGCOSHPSA-N 2 2 288.457 0.895 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)CO1 ZINC000647200365 390786953 /nfs/dbraw/zinc/78/69/53/390786953.db2.gz AKJKSEQGBGJAJM-JHJVBQTASA-N 2 2 292.383 0.678 20 0 CCADLP C[NH+](C)CCn1ccc(C(=O)NC(C)(C)c2[nH]cc[nH+]2)n1 ZINC000572854808 390807779 /nfs/dbraw/zinc/80/77/79/390807779.db2.gz NZMLOAMIGQDQDA-UHFFFAOYSA-N 2 2 290.371 0.833 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000572759347 390801962 /nfs/dbraw/zinc/80/19/62/390801962.db2.gz AIVHIEMRLOIEIZ-NWDGAFQWSA-N 2 2 286.420 0.522 20 0 CCADLP CC[NH+]1C[C@@H](C)N(C(=O)[C@H]2C[N@H+](CC)CCO2)[C@@H](C)C1 ZINC000571416545 390734982 /nfs/dbraw/zinc/73/49/82/390734982.db2.gz LJWJAFKBAKKOCO-HZSPNIEDSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1C[C@@H](C)N(C(=O)[C@H]2C[N@@H+](CC)CCO2)[C@@H](C)C1 ZINC000571416545 390734984 /nfs/dbraw/zinc/73/49/84/390734984.db2.gz LJWJAFKBAKKOCO-HZSPNIEDSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2[C@H](C)C[N@@H+](CC)C[C@@H]2C)C1 ZINC000571416545 390734986 /nfs/dbraw/zinc/73/49/86/390734986.db2.gz LJWJAFKBAKKOCO-HZSPNIEDSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2[C@H](C)C[N@H+](CC)C[C@@H]2C)C1 ZINC000571416545 390734988 /nfs/dbraw/zinc/73/49/88/390734988.db2.gz LJWJAFKBAKKOCO-HZSPNIEDSA-N 2 2 283.416 0.648 20 0 CCADLP COc1c(N)[nH+]cnc1NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528209491 390736041 /nfs/dbraw/zinc/73/60/41/390736041.db2.gz JQRBCJPZYDDGOZ-LLVKDONJSA-N 2 2 277.372 0.918 20 0 CCADLP COc1c(N)[nH+]cnc1NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000528209491 390736042 /nfs/dbraw/zinc/73/60/42/390736042.db2.gz JQRBCJPZYDDGOZ-LLVKDONJSA-N 2 2 277.372 0.918 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cnc(C2CC2)s1 ZINC000571523806 390739650 /nfs/dbraw/zinc/73/96/50/390739650.db2.gz PCHTYWVIWZKQRJ-UHFFFAOYSA-N 2 2 294.424 0.884 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cnc(C2CC2)s1 ZINC000571523806 390739652 /nfs/dbraw/zinc/73/96/52/390739652.db2.gz PCHTYWVIWZKQRJ-UHFFFAOYSA-N 2 2 294.424 0.884 20 0 CCADLP Cc1[nH]c(CNCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)[nH+]c1C ZINC000571582728 390743324 /nfs/dbraw/zinc/74/33/24/390743324.db2.gz ZUDOKROYMHTEFV-CYBMUJFWSA-N 2 2 293.415 0.704 20 0 CCADLP Cc1[nH]c(CNCCC[N@H+]2CCC[C@@H](C(N)=O)C2)[nH+]c1C ZINC000571582728 390743326 /nfs/dbraw/zinc/74/33/26/390743326.db2.gz ZUDOKROYMHTEFV-CYBMUJFWSA-N 2 2 293.415 0.704 20 0 CCADLP C[C@@H](C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1)S(C)(=O)=O ZINC000578079695 390863889 /nfs/dbraw/zinc/86/38/89/390863889.db2.gz AFBZIWFRCYWACK-WDEREUQCSA-N 2 2 271.386 0.643 20 0 CCADLP C[C@@H](C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1)S(C)(=O)=O ZINC000578079695 390863891 /nfs/dbraw/zinc/86/38/91/390863891.db2.gz AFBZIWFRCYWACK-WDEREUQCSA-N 2 2 271.386 0.643 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)[C@H]([NH3+])c2cscn2)C[C@@H]1C ZINC000578190156 390869186 /nfs/dbraw/zinc/86/91/86/390869186.db2.gz XGERCTHDOKNNNK-CMPLNLGQSA-N 2 2 298.412 0.322 20 0 CCADLP COCC[N@H+]1CCN(C(=O)[C@H]([NH3+])c2cscn2)C[C@@H]1C ZINC000578190156 390869190 /nfs/dbraw/zinc/86/91/90/390869190.db2.gz XGERCTHDOKNNNK-CMPLNLGQSA-N 2 2 298.412 0.322 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]2CC23CCCC3)[C@H](C[NH3+])C1 ZINC000578235926 390872614 /nfs/dbraw/zinc/87/26/14/390872614.db2.gz JOLIKJFIQTYVEE-VXGBXAGGSA-N 2 2 251.374 0.668 20 0 CCADLP C[C@]1(C[NH+]2CCN(C(=O)N3CCCC3)CC2)CC[NH2+]C1 ZINC000647513611 390827342 /nfs/dbraw/zinc/82/73/42/390827342.db2.gz PFYAGORHSKXDRN-HNNXBMFYSA-N 2 2 280.416 0.819 20 0 CCADLP CC(C)OCC[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000647530174 390834651 /nfs/dbraw/zinc/83/46/51/390834651.db2.gz XYZDOAUKXVSNBE-LSDHHAIUSA-N 2 2 288.432 0.599 20 0 CCADLP CC(C)OCC[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000647530174 390834652 /nfs/dbraw/zinc/83/46/52/390834652.db2.gz XYZDOAUKXVSNBE-LSDHHAIUSA-N 2 2 288.432 0.599 20 0 CCADLP C[C@H](O)[C@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000647536440 390835819 /nfs/dbraw/zinc/83/58/19/390835819.db2.gz SAWAXOVEYKRNPY-HEHGZKQESA-N 2 2 278.396 0.765 20 0 CCADLP C[C@H](O)[C@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000647536440 390835823 /nfs/dbraw/zinc/83/58/23/390835823.db2.gz SAWAXOVEYKRNPY-HEHGZKQESA-N 2 2 278.396 0.765 20 0 CCADLP C[C@H]1C[NH2+]C[C@@H]([NH2+]CCN2CCOC(C)(C)C2)C1 ZINC000647550386 390839841 /nfs/dbraw/zinc/83/98/41/390839841.db2.gz OHAWYXUIURIHCK-OLZOCXBDSA-N 2 2 255.406 0.685 20 0 CCADLP C[C@H]1C[NH2+]C[C@@H](NCC[N@@H+]2CCOC(C)(C)C2)C1 ZINC000647550386 390839842 /nfs/dbraw/zinc/83/98/42/390839842.db2.gz OHAWYXUIURIHCK-OLZOCXBDSA-N 2 2 255.406 0.685 20 0 CCADLP C[C@H]1C[NH2+]C[C@@H](NCC[N@H+]2CCOC(C)(C)C2)C1 ZINC000647550386 390839844 /nfs/dbraw/zinc/83/98/44/390839844.db2.gz OHAWYXUIURIHCK-OLZOCXBDSA-N 2 2 255.406 0.685 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)Cn1cc[nH+]c1 ZINC000577807997 390845862 /nfs/dbraw/zinc/84/58/62/390845862.db2.gz PGGZCYFGFIMNBD-HZSPNIEDSA-N 2 2 292.383 0.593 20 0 CCADLP COc1c(N)[nH+]cnc1NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000577887307 390851920 /nfs/dbraw/zinc/85/19/20/390851920.db2.gz MVHWQAFKLQAANS-LLVKDONJSA-N 2 2 279.388 0.879 20 0 CCADLP COc1c(N)[nH+]cnc1NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000577887307 390851923 /nfs/dbraw/zinc/85/19/23/390851923.db2.gz MVHWQAFKLQAANS-LLVKDONJSA-N 2 2 279.388 0.879 20 0 CCADLP COc1c(N)nc[nH+]c1NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000577887307 390851926 /nfs/dbraw/zinc/85/19/26/390851926.db2.gz MVHWQAFKLQAANS-LLVKDONJSA-N 2 2 279.388 0.879 20 0 CCADLP COc1c(N)nc[nH+]c1NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000577887307 390851928 /nfs/dbraw/zinc/85/19/28/390851928.db2.gz MVHWQAFKLQAANS-LLVKDONJSA-N 2 2 279.388 0.879 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000647632764 390854040 /nfs/dbraw/zinc/85/40/40/390854040.db2.gz QVTVERCZOAPZTL-OLZOCXBDSA-N 2 2 280.347 0.918 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COC2CCOCC2)C[N@@H+]1C1CC1 ZINC000578435715 390883031 /nfs/dbraw/zinc/88/30/31/390883031.db2.gz NHOBFJONDFXFHK-NFAWXSAZSA-N 2 2 298.427 0.758 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COC2CCOCC2)C[N@H+]1C1CC1 ZINC000578435715 390883033 /nfs/dbraw/zinc/88/30/33/390883033.db2.gz NHOBFJONDFXFHK-NFAWXSAZSA-N 2 2 298.427 0.758 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000578502387 390887070 /nfs/dbraw/zinc/88/70/70/390887070.db2.gz OICHMSGUBQAWDZ-CMPLNLGQSA-N 2 2 262.357 0.762 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)C[NH+](C)[C@H]1CCSC1 ZINC000578570614 390892684 /nfs/dbraw/zinc/89/26/84/390892684.db2.gz CLQOVNLSXXXENH-STQMWFEESA-N 2 2 285.457 0.976 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)C[NH+](C)[C@H]1CCSC1 ZINC000578570614 390892686 /nfs/dbraw/zinc/89/26/86/390892686.db2.gz CLQOVNLSXXXENH-STQMWFEESA-N 2 2 285.457 0.976 20 0 CCADLP CC[C@H]1C[NH+](C)CCN1C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000578570614 390892689 /nfs/dbraw/zinc/89/26/89/390892689.db2.gz CLQOVNLSXXXENH-STQMWFEESA-N 2 2 285.457 0.976 20 0 CCADLP CC[C@H]1C[NH+](C)CCN1C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000578570614 390892691 /nfs/dbraw/zinc/89/26/91/390892691.db2.gz CLQOVNLSXXXENH-STQMWFEESA-N 2 2 285.457 0.976 20 0 CCADLP C[C@@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)[C@H](C)[NH3+] ZINC000449604139 533296279 /nfs/dbraw/zinc/29/62/79/533296279.db2.gz SGAGNPMXEZCWCF-QWHCGFSZSA-N 2 2 291.395 0.984 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492903256 533344257 /nfs/dbraw/zinc/34/42/57/533344257.db2.gz SWAJVXRMSJVFGV-MUBLQREKSA-N 2 2 278.356 0.650 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492903256 533344261 /nfs/dbraw/zinc/34/42/61/533344261.db2.gz SWAJVXRMSJVFGV-MUBLQREKSA-N 2 2 278.356 0.650 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]([NH3+])C(C)C)C[C@@H]1C ZINC000423893586 533422539 /nfs/dbraw/zinc/42/25/39/533422539.db2.gz LIMHGUKAFCZGGG-WCQYABFASA-N 2 2 285.388 0.066 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]([NH3+])C(C)C)C[C@@H]1C ZINC000423893586 533422544 /nfs/dbraw/zinc/42/25/44/533422544.db2.gz LIMHGUKAFCZGGG-WCQYABFASA-N 2 2 285.388 0.066 20 0 CCADLP COc1cccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1OC ZINC000358157911 533513502 /nfs/dbraw/zinc/51/35/02/533513502.db2.gz HMTOHRMAGBDPAP-OAHLLOKOSA-N 2 2 280.368 0.860 20 0 CCADLP COc1cccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1OC ZINC000358157911 533513512 /nfs/dbraw/zinc/51/35/12/533513512.db2.gz HMTOHRMAGBDPAP-OAHLLOKOSA-N 2 2 280.368 0.860 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000341852845 130095660 /nfs/dbraw/zinc/09/56/60/130095660.db2.gz ZUCACXRRLGVZOT-ZIAGYGMSSA-N 2 2 282.432 0.175 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000341852845 130095662 /nfs/dbraw/zinc/09/56/62/130095662.db2.gz ZUCACXRRLGVZOT-ZIAGYGMSSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@H]([NH2+]CC1([NH3+])CCC1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000342097439 130258035 /nfs/dbraw/zinc/25/80/35/130258035.db2.gz HOSRLUMEYLVZBR-JTQLQIEISA-N 2 2 290.367 0.584 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n(C)n1 ZINC000342116807 130274278 /nfs/dbraw/zinc/27/42/78/130274278.db2.gz YTJHWQZAZHLXRN-XQQFMLRXSA-N 2 2 291.399 0.726 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n(C)n1 ZINC000342116807 130274280 /nfs/dbraw/zinc/27/42/80/130274280.db2.gz YTJHWQZAZHLXRN-XQQFMLRXSA-N 2 2 291.399 0.726 20 0 CCADLP COc1cccc(CNC(=O)C[NH2+]CC2([NH3+])CCC2)c1 ZINC000342143798 130334648 /nfs/dbraw/zinc/33/46/48/130334648.db2.gz RDHKFHHUZKTNKT-UHFFFAOYSA-N 2 2 277.368 0.782 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000192095228 130370498 /nfs/dbraw/zinc/37/04/98/130370498.db2.gz KXOMWAVTXIJQKE-GHMZBOCLSA-N 2 2 273.340 0.867 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000232111178 130922400 /nfs/dbraw/zinc/92/24/00/130922400.db2.gz BIHZZZNABBHJDD-LBPRGKRZSA-N 2 2 278.356 0.094 20 0 CCADLP Cc1ccc2[nH+]c(CSCC(=O)NCC[NH3+])cn2c1 ZINC000237823486 131059425 /nfs/dbraw/zinc/05/94/25/131059425.db2.gz KBQYQSLWFCPBRO-UHFFFAOYSA-N 2 2 278.381 0.951 20 0 CCADLP O=C([C@@H]1CCC[NH2+]1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000237980907 131070634 /nfs/dbraw/zinc/07/06/34/131070634.db2.gz QOQRRUQXWTVEBB-HNNXBMFYSA-N 2 2 289.379 0.788 20 0 CCADLP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)NCCn1cc[nH+]c1 ZINC000261568789 131152271 /nfs/dbraw/zinc/15/22/71/131152271.db2.gz JKPIAAQINHVNFO-VXGBXAGGSA-N 2 2 250.346 0.907 20 0 CCADLP COCC1(C(=O)NC[C@H](C)Cn2cc[nH+]c2)CC[NH2+]CC1 ZINC000262399988 131217710 /nfs/dbraw/zinc/21/77/10/131217710.db2.gz QWZPGQGABFPOAF-ZDUSSCGKSA-N 2 2 294.399 0.652 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000262761196 131259431 /nfs/dbraw/zinc/25/94/31/131259431.db2.gz FXHGLBRHLXMANG-CYBMUJFWSA-N 2 2 292.383 0.662 20 0 CCADLP C[NH+]1CCN(CCNc2[nH+]cnc3[nH]ccc32)CC1 ZINC000263806142 131335121 /nfs/dbraw/zinc/33/51/21/131335121.db2.gz RZQXWASWPVHNNI-UHFFFAOYSA-N 2 2 260.345 0.617 20 0 CCADLP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)[C@@H]1CSC[NH2+]1 ZINC000269230262 132137043 /nfs/dbraw/zinc/13/70/43/132137043.db2.gz CEASULUUFXOPPW-NSHDSACASA-N 2 2 289.364 0.546 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420353139 285555405 /nfs/dbraw/zinc/55/54/05/285555405.db2.gz AGOONJBEIYYAEA-VPOLOUISSA-N 2 2 270.377 0.197 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H]1CCCn2nccc21 ZINC000657881198 413070900 /nfs/dbraw/zinc/07/09/00/413070900.db2.gz RMUDLVNVWYKNKM-QWHCGFSZSA-N 2 2 263.389 0.553 20 0 CCADLP CCn1ncc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)n1 ZINC000530206349 285568969 /nfs/dbraw/zinc/56/89/69/285568969.db2.gz ASYMQLQIQXOIML-MGPQQGTHSA-N 2 2 279.388 0.545 20 0 CCADLP CCn1ncnc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530238716 285580788 /nfs/dbraw/zinc/58/07/88/285580788.db2.gz BAIWJBNYNVZYJW-AWEZNQCLSA-N 2 2 293.415 0.889 20 0 CCADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1CCn1cc[nH+]c1 ZINC000189454093 397424712 /nfs/dbraw/zinc/42/47/12/397424712.db2.gz AGGKGEAPSHDUTB-ZDUSSCGKSA-N 2 2 266.389 0.660 20 0 CCADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1CCn1cc[nH+]c1 ZINC000189454093 397424718 /nfs/dbraw/zinc/42/47/18/397424718.db2.gz AGGKGEAPSHDUTB-ZDUSSCGKSA-N 2 2 266.389 0.660 20 0 CCADLP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NC1CC1 ZINC000037918064 397391834 /nfs/dbraw/zinc/39/18/34/397391834.db2.gz SQZMVEZDSVHYMY-WCQYABFASA-N 2 2 251.374 0.729 20 0 CCADLP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NC1CC1 ZINC000037918064 397391837 /nfs/dbraw/zinc/39/18/37/397391837.db2.gz SQZMVEZDSVHYMY-WCQYABFASA-N 2 2 251.374 0.729 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NCc1cccnc1 ZINC000357086997 144059121 /nfs/dbraw/zinc/05/91/21/144059121.db2.gz SBTKBTASIXRNJK-KGLIPLIRSA-N 2 2 274.368 0.239 20 0 CCADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)NCc1cccnc1 ZINC000357086997 144059122 /nfs/dbraw/zinc/05/91/22/144059122.db2.gz SBTKBTASIXRNJK-KGLIPLIRSA-N 2 2 274.368 0.239 20 0 CCADLP Cc1[nH+]ccn1CCCCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000357271065 144076552 /nfs/dbraw/zinc/07/65/52/144076552.db2.gz RNTRIFCEWCZPOI-CYBMUJFWSA-N 2 2 294.399 0.809 20 0 CCADLP CCOCCOC[C@H](O)C[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000357848260 144126136 /nfs/dbraw/zinc/12/61/36/144126136.db2.gz KEEAKVXNZGNIAX-BFHYXJOUSA-N 2 2 274.405 0.330 20 0 CCADLP CCOCCOC[C@H](O)C[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000357848260 144126137 /nfs/dbraw/zinc/12/61/37/144126137.db2.gz KEEAKVXNZGNIAX-BFHYXJOUSA-N 2 2 274.405 0.330 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)NCc1c[nH+]cn1C ZINC000358118607 144154109 /nfs/dbraw/zinc/15/41/09/144154109.db2.gz NRYFICRDQYAAOV-UHFFFAOYSA-N 2 2 276.344 0.848 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000358537356 144159898 /nfs/dbraw/zinc/15/98/98/144159898.db2.gz ZVAVPLLGZWBGLS-VXGBXAGGSA-N 2 2 279.388 0.869 20 0 CCADLP C[C@H]1C[C@@H](C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CC[NH2+]1 ZINC000358701802 144174187 /nfs/dbraw/zinc/17/41/87/144174187.db2.gz YSCDRTFALANXGF-STQMWFEESA-N 2 2 291.399 0.442 20 0 CCADLP CCn1nc2c(cc1=O)C[N@@H+](Cc1cc[nH+]c(N)c1)CC2 ZINC000373234967 144397394 /nfs/dbraw/zinc/39/73/94/144397394.db2.gz XRKZTNYHHNJSPG-UHFFFAOYSA-N 2 2 285.351 0.629 20 0 CCADLP CCn1nc2c(cc1=O)C[N@H+](Cc1cc[nH+]c(N)c1)CC2 ZINC000373234967 144397396 /nfs/dbraw/zinc/39/73/96/144397396.db2.gz XRKZTNYHHNJSPG-UHFFFAOYSA-N 2 2 285.351 0.629 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CC[NH+]2CCC[C@H]2C1)C1CC1 ZINC000389106425 397508567 /nfs/dbraw/zinc/50/85/67/397508567.db2.gz KBRZCEQVECDODR-VHDGCEQUSA-N 3 2 267.417 0.658 20 0 CCADLP C[NH+](C[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000389106425 397508581 /nfs/dbraw/zinc/50/85/81/397508581.db2.gz KBRZCEQVECDODR-VHDGCEQUSA-N 3 2 267.417 0.658 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]C2CCC(F)(F)CC2)CC1 ZINC000390147456 397511295 /nfs/dbraw/zinc/51/12/95/397511295.db2.gz VTGJUNAGPCXIQC-UHFFFAOYSA-N 2 2 275.343 0.928 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@](C)(F)C1 ZINC000521366683 397570562 /nfs/dbraw/zinc/57/05/62/397570562.db2.gz MRHOOIRJPKLVPN-OLZOCXBDSA-N 2 2 262.369 0.750 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@](C)(F)C1 ZINC000521366683 397570566 /nfs/dbraw/zinc/57/05/66/397570566.db2.gz MRHOOIRJPKLVPN-OLZOCXBDSA-N 2 2 262.369 0.750 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@](C)(F)C1 ZINC000521366683 397570570 /nfs/dbraw/zinc/57/05/70/397570570.db2.gz MRHOOIRJPKLVPN-OLZOCXBDSA-N 2 2 262.369 0.750 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@](C)(F)C1 ZINC000521366683 397570574 /nfs/dbraw/zinc/57/05/74/397570574.db2.gz MRHOOIRJPKLVPN-OLZOCXBDSA-N 2 2 262.369 0.750 20 0 CCADLP Cc1nc(CN2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)no1 ZINC000649413317 397607747 /nfs/dbraw/zinc/60/77/47/397607747.db2.gz UVEXWOUDIDUGDS-LBPRGKRZSA-N 2 2 265.361 0.105 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@]3(CC3(F)F)C2)CC1 ZINC000649902937 397681868 /nfs/dbraw/zinc/68/18/68/397681868.db2.gz HSOATFRGHOVBLF-GFCCVEGCSA-N 2 2 273.327 0.492 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@]3(CC3(F)F)C2)CC1 ZINC000649902937 397681871 /nfs/dbraw/zinc/68/18/71/397681871.db2.gz HSOATFRGHOVBLF-GFCCVEGCSA-N 2 2 273.327 0.492 20 0 CCADLP C1CC1[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)[C@@H]1C[NH2+]CCO1 ZINC000650743246 397752327 /nfs/dbraw/zinc/75/23/27/397752327.db2.gz PBBBDMVWLBQSBE-DGTMBMJNSA-N 2 2 252.358 0.663 20 0 CCADLP C[N@@H+]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000650993427 397801337 /nfs/dbraw/zinc/80/13/37/397801337.db2.gz IUDNSJPMNNEDQG-UHFFFAOYSA-N 2 2 276.384 0.926 20 0 CCADLP C[N@H+]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000650993427 397801340 /nfs/dbraw/zinc/80/13/40/397801340.db2.gz IUDNSJPMNNEDQG-UHFFFAOYSA-N 2 2 276.384 0.926 20 0 CCADLP CC(C)[C@H](Cn1cccn1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000651208625 397852384 /nfs/dbraw/zinc/85/23/84/397852384.db2.gz OIXRQGPDHHLCBU-AWEZNQCLSA-N 2 2 293.415 0.271 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000547863304 285984471 /nfs/dbraw/zinc/98/44/71/285984471.db2.gz RUFYSSFBTCBSGT-UHFFFAOYSA-N 2 2 250.346 0.515 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC000548192193 286015544 /nfs/dbraw/zinc/01/55/44/286015544.db2.gz MEUWGQFPPXXBAB-NSHDSACASA-N 2 2 250.346 0.563 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC000548192193 286015545 /nfs/dbraw/zinc/01/55/45/286015545.db2.gz MEUWGQFPPXXBAB-NSHDSACASA-N 2 2 250.346 0.563 20 0 CCADLP C[C@H]([C@H](C)NC(=O)Cc1c[nH+]cn1C)[NH+]1CCOCC1 ZINC000548798300 286069096 /nfs/dbraw/zinc/06/90/96/286069096.db2.gz WXYRXECILDBWPQ-NWDGAFQWSA-N 2 2 280.372 0.188 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000366622730 286087376 /nfs/dbraw/zinc/08/73/76/286087376.db2.gz BVAUCOBQMXFFDJ-GDBMZVCRSA-N 2 2 295.427 0.557 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000123802767 286087542 /nfs/dbraw/zinc/08/75/42/286087542.db2.gz AIMWJJRHIKXNES-ZDUSSCGKSA-N 2 2 271.405 0.507 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)CCCC[NH+](C)C)CCO1 ZINC000552566063 286169559 /nfs/dbraw/zinc/16/95/59/286169559.db2.gz QTDIMEXIFKTXFC-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)CCCC[NH+](C)C)CCO1 ZINC000552566063 286169562 /nfs/dbraw/zinc/16/95/62/286169562.db2.gz QTDIMEXIFKTXFC-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP C[C@H](CNC(=O)[C@H](C)[NH+]1CC(C)C1)C[NH+]1CCOCC1 ZINC000553144858 286181918 /nfs/dbraw/zinc/18/19/18/286181918.db2.gz ILUNSKWAGNYRMX-OCCSQVGLSA-N 2 2 283.416 0.411 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000659024840 413260201 /nfs/dbraw/zinc/26/02/01/413260201.db2.gz LCXVTZUCIUUFOW-ZETCQYMHSA-N 2 2 265.239 0.441 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000659024840 413260205 /nfs/dbraw/zinc/26/02/05/413260205.db2.gz LCXVTZUCIUUFOW-ZETCQYMHSA-N 2 2 265.239 0.441 20 0 CCADLP COCCC[N@H+](C)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000495858314 292339380 /nfs/dbraw/zinc/33/93/80/292339380.db2.gz KNUFGQHURQONBD-OAHLLOKOSA-N 2 2 297.399 0.829 20 0 CCADLP COCCC[N@@H+](C)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000495858314 292339381 /nfs/dbraw/zinc/33/93/81/292339381.db2.gz KNUFGQHURQONBD-OAHLLOKOSA-N 2 2 297.399 0.829 20 0 CCADLP COCCCNC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339434587 292358034 /nfs/dbraw/zinc/35/80/34/292358034.db2.gz UOMZFPOBEKXTMT-OAHLLOKOSA-N 2 2 283.416 0.557 20 0 CCADLP COCCCNC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339434587 292358037 /nfs/dbraw/zinc/35/80/37/292358037.db2.gz UOMZFPOBEKXTMT-OAHLLOKOSA-N 2 2 283.416 0.557 20 0 CCADLP COCCCNC(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339434587 292358038 /nfs/dbraw/zinc/35/80/38/292358038.db2.gz UOMZFPOBEKXTMT-OAHLLOKOSA-N 2 2 283.416 0.557 20 0 CCADLP COCCCNC(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339434587 292358041 /nfs/dbraw/zinc/35/80/41/292358041.db2.gz UOMZFPOBEKXTMT-OAHLLOKOSA-N 2 2 283.416 0.557 20 0 CCADLP C[C@H](C(=O)N1C[C@@H](C)[NH+](C)[C@H](C)C1)[NH+]1CCSCC1 ZINC000358715100 298092718 /nfs/dbraw/zinc/09/27/18/298092718.db2.gz MVYQGZVPQGUZKY-JHJVBQTASA-N 2 2 285.457 0.975 20 0 CCADLP C[C@@H](CNC(=O)C1([NH+]2CCOCC2)CCC1)[NH+](C)C ZINC000360317325 286856988 /nfs/dbraw/zinc/85/69/88/286856988.db2.gz JFWNTFNHFMOUMZ-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423112660 287031196 /nfs/dbraw/zinc/03/11/96/287031196.db2.gz SNYPYOPMXRHXHP-GRYCIOLGSA-N 2 2 295.349 0.980 20 0 CCADLP C[C@@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)[C@H](C)N1CCOCC1 ZINC000361183644 287071509 /nfs/dbraw/zinc/07/15/09/287071509.db2.gz ZUYBEJWDPKPWQY-MQYQWHSLSA-N 2 2 255.406 0.635 20 0 CCADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)[C@H](C)N1CCOCC1 ZINC000361183644 287071513 /nfs/dbraw/zinc/07/15/13/287071513.db2.gz ZUYBEJWDPKPWQY-MQYQWHSLSA-N 2 2 255.406 0.635 20 0 CCADLP O=C([C@@H]1[NH2+]CCc2ccccc21)N1CC[NH+](CCO)CC1 ZINC000043512584 411627131 /nfs/dbraw/zinc/62/71/31/411627131.db2.gz XAWRQVMQZHMWNS-OAHLLOKOSA-N 2 2 289.379 0.010 20 0 CCADLP NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000061980102 411688027 /nfs/dbraw/zinc/68/80/27/411688027.db2.gz KRTHBUVFYMEEGZ-GFCCVEGCSA-N 2 2 295.408 0.660 20 0 CCADLP NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000061980102 411688040 /nfs/dbraw/zinc/68/80/40/411688040.db2.gz KRTHBUVFYMEEGZ-GFCCVEGCSA-N 2 2 295.408 0.660 20 0 CCADLP CC1(C)C[NH2+]CC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC000310776412 411748623 /nfs/dbraw/zinc/74/86/23/411748623.db2.gz PVFYJWDLGRWCBD-LLVKDONJSA-N 2 2 250.346 0.778 20 0 CCADLP C[C@@H]1CN(CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)C[C@H](C)O1 ZINC000314194612 411754361 /nfs/dbraw/zinc/75/43/61/411754361.db2.gz NUSRJGBJHHOXCA-CRWXNKLISA-N 2 2 253.390 0.247 20 0 CCADLP O[C@@H]1C[C@H]2CN(CCCn3cc[nH+]c3)CC[N@H+]2C1 ZINC000405321006 411799678 /nfs/dbraw/zinc/79/96/78/411799678.db2.gz URBUPHYRCMUQEC-QWHCGFSZSA-N 2 2 250.346 0.024 20 0 CCADLP CCO[C@@H]1C[N@H+](CC(=O)N2CCCC[C@H]2C)C[C@H]1C[NH3+] ZINC000405209551 411800530 /nfs/dbraw/zinc/80/05/30/411800530.db2.gz KMVMTAFLIPHJAL-MGPQQGTHSA-N 2 2 283.416 0.683 20 0 CCADLP CCO[C@@H]1C[N@@H+](CC(=O)N2CCCC[C@H]2C)C[C@H]1C[NH3+] ZINC000405209551 411800534 /nfs/dbraw/zinc/80/05/34/411800534.db2.gz KMVMTAFLIPHJAL-MGPQQGTHSA-N 2 2 283.416 0.683 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407429439 411809024 /nfs/dbraw/zinc/80/90/24/411809024.db2.gz OPEBTSLRGDBIJO-MRVWCRGKSA-N 2 2 281.400 0.354 20 0 CCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC1C[NH+](C(C)C)C1)CC2 ZINC000651773106 411932221 /nfs/dbraw/zinc/93/22/21/411932221.db2.gz WFNVHSHKZIXBKN-LBPRGKRZSA-N 2 2 276.384 0.963 20 0 CCADLP O[C@@]1(CC[NH2+]Cc2cccc3[nH+]ccn32)CCOC1 ZINC000651943377 411965962 /nfs/dbraw/zinc/96/59/62/411965962.db2.gz QAUXVTOBIMMSHE-AWEZNQCLSA-N 2 2 261.325 0.965 20 0 CCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCC2(CO)CCC2)C1 ZINC000652036854 411979613 /nfs/dbraw/zinc/97/96/13/411979613.db2.gz YIGGXRRZZSMABJ-CYBMUJFWSA-N 2 2 256.390 0.849 20 0 CCADLP COCC[N@H+]1CC[C@@H]([NH2+]CCC2(CO)CCC2)C1 ZINC000652036854 411979616 /nfs/dbraw/zinc/97/96/16/411979616.db2.gz YIGGXRRZZSMABJ-CYBMUJFWSA-N 2 2 256.390 0.849 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC[C@@]1(O)CCCOC1 ZINC000652045788 411980079 /nfs/dbraw/zinc/98/00/79/411980079.db2.gz FTNRYMWDLWHNPG-YUELXQCFSA-N 2 2 268.401 0.990 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC[C@@]1(O)CCCOC1 ZINC000652045788 411980085 /nfs/dbraw/zinc/98/00/85/411980085.db2.gz FTNRYMWDLWHNPG-YUELXQCFSA-N 2 2 268.401 0.990 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652146243 411992750 /nfs/dbraw/zinc/99/27/50/411992750.db2.gz NHXRYEDRIDICHV-FZMZJTMJSA-N 2 2 277.372 0.691 20 0 CCADLP C[NH2+]C[C@](C)(O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000652339473 412031613 /nfs/dbraw/zinc/03/16/13/412031613.db2.gz XKJGTAOSXGZFSD-ZDUSSCGKSA-N 3 2 252.362 0.560 20 0 CCADLP Cc1noc([C@H]2C[N@@H+](CCn3cc[nH+]c3)CCN2C)n1 ZINC000284572772 196087078 /nfs/dbraw/zinc/08/70/78/196087078.db2.gz IUQWFHYZTIIQEB-GFCCVEGCSA-N 2 2 276.344 0.563 20 0 CCADLP Cc1noc([C@H]2C[N@H+](CCn3cc[nH+]c3)CCN2C)n1 ZINC000284572772 196087079 /nfs/dbraw/zinc/08/70/79/196087079.db2.gz IUQWFHYZTIIQEB-GFCCVEGCSA-N 2 2 276.344 0.563 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]2C2CCCC2)[C@@H](C[NH3+])C1 ZINC000653055210 412203856 /nfs/dbraw/zinc/20/38/56/412203856.db2.gz XAQPSPAZHBPDDN-BFHYXJOUSA-N 2 2 265.401 0.914 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2C[C@@H]2C2CCCC2)[C@@H](C[NH3+])C1 ZINC000653055210 412203859 /nfs/dbraw/zinc/20/38/59/412203859.db2.gz XAQPSPAZHBPDDN-BFHYXJOUSA-N 2 2 265.401 0.914 20 0 CCADLP COc1cccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000653056374 412204083 /nfs/dbraw/zinc/20/40/83/412204083.db2.gz BVRNSGQPIDUSQB-LBPRGKRZSA-N 2 2 251.330 0.913 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000653059131 412205026 /nfs/dbraw/zinc/20/50/26/412205026.db2.gz VURWMYWNDKQFKB-CYBMUJFWSA-N 3 2 284.448 0.646 20 0 CCADLP COCc1cccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000653068991 412206999 /nfs/dbraw/zinc/20/69/99/412206999.db2.gz ZMDJCSPUCORWIL-AWEZNQCLSA-N 2 2 279.384 0.728 20 0 CCADLP COc1cccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1OC ZINC000653065675 412207249 /nfs/dbraw/zinc/20/72/49/412207249.db2.gz OLMGPOUEQVMBND-LBPRGKRZSA-N 2 2 295.383 0.599 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000653063979 412207583 /nfs/dbraw/zinc/20/75/83/412207583.db2.gz AFELUURKXBWJCL-LSDHHAIUSA-N 2 2 291.395 0.866 20 0 CCADLP COCCOc1cccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000653069912 412208218 /nfs/dbraw/zinc/20/82/18/412208218.db2.gz CDKXPHIGSODGRW-AWEZNQCLSA-N 2 2 295.383 0.929 20 0 CCADLP CN(C[C@H]1CCCCO1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653077050 412209652 /nfs/dbraw/zinc/20/96/52/412209652.db2.gz MYZWPFIYUDEEPP-VXGBXAGGSA-N 2 2 257.378 0.293 20 0 CCADLP Cc1cccc(CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000653077116 412209658 /nfs/dbraw/zinc/20/96/58/412209658.db2.gz PBGGDKZTGKEYEU-AWEZNQCLSA-N 2 2 263.385 0.933 20 0 CCADLP C[C@@H](COc1cccc(F)c1)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653076363 412209734 /nfs/dbraw/zinc/20/97/34/412209734.db2.gz SJSKLTMPQDUJFJ-SMDDNHRTSA-N 2 2 297.374 0.988 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC(C)(C)O1 ZINC000653077985 412210388 /nfs/dbraw/zinc/21/03/88/412210388.db2.gz QSUUIQQHIZDREO-QWRGUYRKSA-N 2 2 257.378 0.291 20 0 CCADLP CCCCN(CCOC)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653089051 412214058 /nfs/dbraw/zinc/21/40/58/412214058.db2.gz WJWCUDWCVHNMRQ-LBPRGKRZSA-N 2 2 259.394 0.541 20 0 CCADLP CCC(CC)[C@H](O)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653089645 412214262 /nfs/dbraw/zinc/21/42/62/412214262.db2.gz ORQMEMMWWLNQEU-NWDGAFQWSA-N 2 2 259.394 0.179 20 0 CCADLP Cn1nccc1[C@H]1CCCCN1C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653204966 412259214 /nfs/dbraw/zinc/25/92/14/412259214.db2.gz LASGQJNMPMYWER-TZMCWYRMSA-N 2 2 293.415 0.753 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000653298950 412285030 /nfs/dbraw/zinc/28/50/30/412285030.db2.gz UICWXPHTGCEBCF-KBPBESRZSA-N 2 2 285.432 0.977 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000653298950 412285031 /nfs/dbraw/zinc/28/50/31/412285031.db2.gz UICWXPHTGCEBCF-KBPBESRZSA-N 2 2 285.432 0.977 20 0 CCADLP COc1ccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)c(F)c1 ZINC000653095608 412216875 /nfs/dbraw/zinc/21/68/75/412216875.db2.gz OMZKPHXVOWGVCQ-CYBMUJFWSA-N 2 2 283.347 0.730 20 0 CCADLP CC(C)C[C@@H](CCO)CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653101876 412218853 /nfs/dbraw/zinc/21/88/53/412218853.db2.gz IVFGIXUVFRDSES-CHWSQXEVSA-N 2 2 273.421 0.426 20 0 CCADLP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653106630 412220100 /nfs/dbraw/zinc/22/01/00/412220100.db2.gz GMUSICFSTGMPKD-KBPBESRZSA-N 3 2 284.448 0.646 20 0 CCADLP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653106630 412220102 /nfs/dbraw/zinc/22/01/02/412220102.db2.gz GMUSICFSTGMPKD-KBPBESRZSA-N 3 2 284.448 0.646 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCC[NH+]1CCCCC1 ZINC000653106543 412220627 /nfs/dbraw/zinc/22/06/27/412220627.db2.gz BUCFGERNYDDFFC-ZDUSSCGKSA-N 3 2 270.421 0.258 20 0 CCADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653110085 412222175 /nfs/dbraw/zinc/22/21/75/412222175.db2.gz WYNZRFPPOZSQKH-RBSFLKMASA-N 3 2 298.475 0.750 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653109643 412222981 /nfs/dbraw/zinc/22/29/81/412222981.db2.gz IJRVUTUXJKLNQD-OLZOCXBDSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@@H]1CCC[C@@](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)([NH+](C)C)C1 ZINC000653111976 412223701 /nfs/dbraw/zinc/22/37/01/412223701.db2.gz HWIWZCAXXIRLEO-IJEWVQPXSA-N 3 2 298.475 0.892 20 0 CCADLP CC(C)[N@H+](C)CC1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653111873 412224094 /nfs/dbraw/zinc/22/40/94/412224094.db2.gz FJLPFRQIYWDVME-OAHLLOKOSA-N 3 2 298.475 0.844 20 0 CCADLP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653111873 412224097 /nfs/dbraw/zinc/22/40/97/412224097.db2.gz FJLPFRQIYWDVME-OAHLLOKOSA-N 3 2 298.475 0.844 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000653111125 412224420 /nfs/dbraw/zinc/22/44/20/412224420.db2.gz FLUPWQAQTYDJGN-AVGNSLFASA-N 3 2 268.405 0.008 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000653111125 412224424 /nfs/dbraw/zinc/22/44/24/412224424.db2.gz FLUPWQAQTYDJGN-AVGNSLFASA-N 3 2 268.405 0.008 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000653117797 412227601 /nfs/dbraw/zinc/22/76/01/412227601.db2.gz WEIAQKMRLKJSEZ-JURCDPSOSA-N 2 2 295.427 0.742 20 0 CCADLP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653122003 412228886 /nfs/dbraw/zinc/22/88/86/412228886.db2.gz IFTUDIMFYIMQHL-UONOGXRCSA-N 3 2 284.448 0.456 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000653120032 412230043 /nfs/dbraw/zinc/23/00/43/412230043.db2.gz CTWWXVCYILEWPH-STQMWFEESA-N 3 2 286.464 0.748 20 0 CCADLP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000653138241 412237067 /nfs/dbraw/zinc/23/70/67/412237067.db2.gz PKXMNVCEIZJYDU-SRVKXCTJSA-N 2 2 268.336 0.993 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000653143187 412240293 /nfs/dbraw/zinc/24/02/93/412240293.db2.gz HRFQUAHONKGFCH-JSGCOSHPSA-N 2 2 288.395 0.972 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653149172 412242491 /nfs/dbraw/zinc/24/24/91/412242491.db2.gz ZCLXIDKFHJVNSY-KBPBESRZSA-N 2 2 281.400 0.308 20 0 CCADLP [NH3+]CC(F)(F)CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000653152177 412244615 /nfs/dbraw/zinc/24/46/15/412244615.db2.gz DHYKJYNSYKJOLU-JTQLQIEISA-N 2 2 284.310 0.761 20 0 CCADLP C[C@@H](C(=O)NC(C)(C)C)N(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653156154 412244922 /nfs/dbraw/zinc/24/49/22/412244922.db2.gz SYTJTVKIMIBZSB-QWRGUYRKSA-N 2 2 286.420 0.027 20 0 CCADLP CN(C)c1cccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)n1 ZINC000653154142 412245598 /nfs/dbraw/zinc/24/55/98/412245598.db2.gz JRUHXFQLZHFQKO-LBPRGKRZSA-N 2 2 279.388 0.043 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC1(C2CC2)CCC1 ZINC000653157791 412247156 /nfs/dbraw/zinc/24/71/56/412247156.db2.gz LYQFKMPBRMTRFE-GFCCVEGCSA-N 2 2 253.390 0.962 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCOC(C)(C)[C@@H]1C ZINC000653569892 412318645 /nfs/dbraw/zinc/31/86/45/412318645.db2.gz QDGFGAUKDVDSFJ-QWHCGFSZSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCOC(C)(C)[C@@H]1C ZINC000653569892 412318647 /nfs/dbraw/zinc/31/86/47/412318647.db2.gz QDGFGAUKDVDSFJ-QWHCGFSZSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000653569892 412318649 /nfs/dbraw/zinc/31/86/49/412318649.db2.gz QDGFGAUKDVDSFJ-QWHCGFSZSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000653569892 412318652 /nfs/dbraw/zinc/31/86/52/412318652.db2.gz QDGFGAUKDVDSFJ-QWHCGFSZSA-N 2 2 274.405 0.425 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCO[C@@H](c2cccs2)C1 ZINC000653347309 412292360 /nfs/dbraw/zinc/29/23/60/412292360.db2.gz ZVHBHSODSTXYAO-VXGBXAGGSA-N 2 2 297.424 0.927 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC(C)(C)C2)C1 ZINC000654758949 412435340 /nfs/dbraw/zinc/43/53/40/412435340.db2.gz XOKDXMNHAQPDJN-GFCCVEGCSA-N 2 2 269.389 0.165 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC(C)(C)C2)C1 ZINC000654758949 412435341 /nfs/dbraw/zinc/43/53/41/412435341.db2.gz XOKDXMNHAQPDJN-GFCCVEGCSA-N 2 2 269.389 0.165 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(C)(C)CO)CC2)CC1 ZINC000654657758 412423170 /nfs/dbraw/zinc/42/31/70/412423170.db2.gz RTAJEYNPMZGZOH-UHFFFAOYSA-N 2 2 297.443 0.680 20 0 CCADLP CC[C@@](C)(CO)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000654782172 412439106 /nfs/dbraw/zinc/43/91/06/412439106.db2.gz LRLUGRXYSGIPKN-INIZCTEOSA-N 2 2 299.459 0.879 20 0 CCADLP CC[C@@](C)(CO)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000654782172 412439108 /nfs/dbraw/zinc/43/91/08/412439108.db2.gz LRLUGRXYSGIPKN-INIZCTEOSA-N 2 2 299.459 0.879 20 0 CCADLP COC1CC[NH+](CCNC(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000654869194 412446120 /nfs/dbraw/zinc/44/61/20/412446120.db2.gz FKCFOPNMWMFUIF-UHFFFAOYSA-N 2 2 283.416 0.555 20 0 CCADLP CC(C)(CO)[NH+]1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000654967218 412455057 /nfs/dbraw/zinc/45/50/57/412455057.db2.gz BXUAZCOUELYRIO-UHFFFAOYSA-N 2 2 283.416 0.243 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000659450588 413509204 /nfs/dbraw/zinc/50/92/04/413509204.db2.gz RASGNPSOIROLSN-SRVKXCTJSA-N 2 2 272.393 0.003 20 0 CCADLP C[C@@H](NC(=O)NCC1([NH3+])CCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000659450544 413510203 /nfs/dbraw/zinc/51/02/03/413510203.db2.gz PEOXGGBPPULHKA-OLZOCXBDSA-N 2 2 298.431 0.666 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000659471603 413527688 /nfs/dbraw/zinc/52/76/88/413527688.db2.gz BGMPIQVEKDTBQN-VXGBXAGGSA-N 2 2 277.372 0.567 20 0 CCADLP C[C@@H](NC(=O)NC[C@@H]1CCC[NH2+]C1)c1[nH+]ccn1C ZINC000659509003 413571037 /nfs/dbraw/zinc/57/10/37/413571037.db2.gz CVULZXVKALZTAH-GHMZBOCLSA-N 2 2 265.361 0.780 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCC(C)(C)F)[C@H](C[NH3+])C1 ZINC000659593604 413676807 /nfs/dbraw/zinc/67/68/07/413676807.db2.gz LTRIXRBKEJNUJP-SNVBAGLBSA-N 2 2 260.357 0.409 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCC(C)(C)F)[C@H](C[NH3+])C1 ZINC000659593604 413676817 /nfs/dbraw/zinc/67/68/17/413676817.db2.gz LTRIXRBKEJNUJP-SNVBAGLBSA-N 2 2 260.357 0.409 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000659641623 413745949 /nfs/dbraw/zinc/74/59/49/413745949.db2.gz SSNYOOPUECQCMI-ZDUSSCGKSA-N 2 2 291.399 0.517 20 0 CCADLP CCN1CC[C@@H]([N@H+](C)C[C@@H]2CCC[NH+](C)C2)C1=O ZINC000659948304 413995769 /nfs/dbraw/zinc/99/57/69/413995769.db2.gz PJSDTSCXQIHJJQ-CHWSQXEVSA-N 2 2 253.390 0.881 20 0 CCADLP CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCC[NH+](C)C2)C1=O ZINC000659948304 413995776 /nfs/dbraw/zinc/99/57/76/413995776.db2.gz PJSDTSCXQIHJJQ-CHWSQXEVSA-N 2 2 253.390 0.881 20 0 CCADLP CCN1CC[C@@H]([NH+](C)C[C@@H]2CCC[N@H+](C)C2)C1=O ZINC000659948304 413995779 /nfs/dbraw/zinc/99/57/79/413995779.db2.gz PJSDTSCXQIHJJQ-CHWSQXEVSA-N 2 2 253.390 0.881 20 0 CCADLP CCN1CC[C@@H]([NH+](C)C[C@@H]2CCC[N@@H+](C)C2)C1=O ZINC000659948304 413995790 /nfs/dbraw/zinc/99/57/90/413995790.db2.gz PJSDTSCXQIHJJQ-CHWSQXEVSA-N 2 2 253.390 0.881 20 0 CCADLP CCN1CC[C@H]([NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000660004660 414042562 /nfs/dbraw/zinc/04/25/62/414042562.db2.gz ZYRDZZHNGHZBPG-AWEZNQCLSA-N 2 2 274.368 0.824 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCS[C@@H]2COCC[C@@H]21 ZINC000660017524 414060197 /nfs/dbraw/zinc/06/01/97/414060197.db2.gz MNXHQUCDLKDRQV-MELADBBJSA-N 2 2 288.457 0.894 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCS[C@@H]2COCC[C@@H]21 ZINC000660017524 414060204 /nfs/dbraw/zinc/06/02/04/414060204.db2.gz MNXHQUCDLKDRQV-MELADBBJSA-N 2 2 288.457 0.894 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000660017524 414060211 /nfs/dbraw/zinc/06/02/11/414060211.db2.gz MNXHQUCDLKDRQV-MELADBBJSA-N 2 2 288.457 0.894 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000660017524 414060219 /nfs/dbraw/zinc/06/02/19/414060219.db2.gz MNXHQUCDLKDRQV-MELADBBJSA-N 2 2 288.457 0.894 20 0 CCADLP CN(CC[N@H+](C)CCc1cn[nH]n1)C1CC[NH+](C)CC1 ZINC000660139017 414143962 /nfs/dbraw/zinc/14/39/62/414143962.db2.gz FXCKEWSDVCIITQ-UHFFFAOYSA-N 2 2 280.420 0.305 20 0 CCADLP CN(CC[N@@H+](C)CCc1cn[nH]n1)C1CC[NH+](C)CC1 ZINC000660139017 414143971 /nfs/dbraw/zinc/14/39/71/414143971.db2.gz FXCKEWSDVCIITQ-UHFFFAOYSA-N 2 2 280.420 0.305 20 0 CCADLP Cn1c[nH+]c(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000660074285 414089080 /nfs/dbraw/zinc/08/90/80/414089080.db2.gz LNSLLJZUWQBSJA-HNNXBMFYSA-N 2 2 277.416 0.632 20 0 CCADLP Cn1c[nH+]c(CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000660074285 414089087 /nfs/dbraw/zinc/08/90/87/414089087.db2.gz LNSLLJZUWQBSJA-HNNXBMFYSA-N 2 2 277.416 0.632 20 0 CCADLP CO[C@@H](C[NH+]1CCN(c2[nH+]ccn2C)CC1)[C@@H]1CCOC1 ZINC000660114677 414120933 /nfs/dbraw/zinc/12/09/33/414120933.db2.gz YLVTXYVDJBSLLV-KGLIPLIRSA-N 2 2 294.399 0.594 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000660236028 414201124 /nfs/dbraw/zinc/20/11/24/414201124.db2.gz VDBYVKKZDZDMDO-HNNXBMFYSA-N 2 2 299.459 0.878 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000660236028 414201130 /nfs/dbraw/zinc/20/11/30/414201130.db2.gz VDBYVKKZDZDMDO-HNNXBMFYSA-N 2 2 299.459 0.878 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]C2(CCO)CCCC2)CC1 ZINC000660681261 414439966 /nfs/dbraw/zinc/43/99/66/414439966.db2.gz ZCAGIQLOURPZOZ-UHFFFAOYSA-N 2 2 269.389 0.045 20 0 CCADLP CC(C)C[NH2+]C1(CO)CC[NH+](CCn2cncn2)CC1 ZINC000660696199 414445982 /nfs/dbraw/zinc/44/59/82/414445982.db2.gz YWOIBIFVLVZZMC-UHFFFAOYSA-N 2 2 281.404 0.351 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000660741736 414470572 /nfs/dbraw/zinc/47/05/72/414470572.db2.gz RLIPPYZDECLKBJ-GRYCIOLGSA-N 2 2 298.349 0.933 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000660741736 414470574 /nfs/dbraw/zinc/47/05/74/414470574.db2.gz RLIPPYZDECLKBJ-GRYCIOLGSA-N 2 2 298.349 0.933 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000660741736 414470578 /nfs/dbraw/zinc/47/05/78/414470578.db2.gz RLIPPYZDECLKBJ-GRYCIOLGSA-N 2 2 298.349 0.933 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000660741736 414470582 /nfs/dbraw/zinc/47/05/82/414470582.db2.gz RLIPPYZDECLKBJ-GRYCIOLGSA-N 2 2 298.349 0.933 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000661046089 414548297 /nfs/dbraw/zinc/54/82/97/414548297.db2.gz PXBIYUVMTOUUCN-CHWSQXEVSA-N 2 2 291.399 0.981 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000661046089 414548300 /nfs/dbraw/zinc/54/83/00/414548300.db2.gz PXBIYUVMTOUUCN-CHWSQXEVSA-N 2 2 291.399 0.981 20 0 CCADLP Cc1nnc([C@H]2CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C2)[nH]1 ZINC000660806925 414488822 /nfs/dbraw/zinc/48/88/22/414488822.db2.gz ZDVGQCFGUJDLBP-STQMWFEESA-N 2 2 281.404 0.604 20 0 CCADLP Cc1nnc([C@H]2CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C2)[nH]1 ZINC000660806925 414488825 /nfs/dbraw/zinc/48/88/25/414488825.db2.gz ZDVGQCFGUJDLBP-STQMWFEESA-N 2 2 281.404 0.604 20 0 CCADLP Cc1nnc([C@H]2CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C2)[nH]1 ZINC000660806925 414488829 /nfs/dbraw/zinc/48/88/29/414488829.db2.gz ZDVGQCFGUJDLBP-STQMWFEESA-N 2 2 281.404 0.604 20 0 CCADLP Cc1nnc([C@H]2CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C2)[nH]1 ZINC000660806925 414488832 /nfs/dbraw/zinc/48/88/32/414488832.db2.gz ZDVGQCFGUJDLBP-STQMWFEESA-N 2 2 281.404 0.604 20 0 CCADLP CNC(=O)NC1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000660807329 414489055 /nfs/dbraw/zinc/48/90/55/414489055.db2.gz FNOSFULPNDFCFH-ZDUSSCGKSA-N 2 2 286.420 0.081 20 0 CCADLP CNC(=O)NC1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000660807329 414489059 /nfs/dbraw/zinc/48/90/59/414489059.db2.gz FNOSFULPNDFCFH-ZDUSSCGKSA-N 2 2 286.420 0.081 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NCC[NH+]1CCSCC1 ZINC000660823959 414492352 /nfs/dbraw/zinc/49/23/52/414492352.db2.gz JPPNMTIYTCDQHU-UHFFFAOYSA-N 2 2 283.401 0.600 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)NCC[NH+]1CCSCC1 ZINC000660823959 414492355 /nfs/dbraw/zinc/49/23/55/414492355.db2.gz JPPNMTIYTCDQHU-UHFFFAOYSA-N 2 2 283.401 0.600 20 0 CCADLP C[C@H](NC(=O)NCC[N@H+](C)C1CC1)c1[nH+]ccn1C ZINC000660838014 414498612 /nfs/dbraw/zinc/49/86/12/414498612.db2.gz DIOWDJPZUUGNHO-JTQLQIEISA-N 2 2 265.361 0.875 20 0 CCADLP C[C@H](NC(=O)NCC[N@@H+](C)C1CC1)c1[nH+]ccn1C ZINC000660838014 414498615 /nfs/dbraw/zinc/49/86/15/414498615.db2.gz DIOWDJPZUUGNHO-JTQLQIEISA-N 2 2 265.361 0.875 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](n2ccnn2)C1 ZINC000660880498 414521522 /nfs/dbraw/zinc/52/15/22/414521522.db2.gz DPEFOHVAXHUXPA-KGLIPLIRSA-N 2 2 281.404 0.616 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](n2ccnn2)C1 ZINC000660880498 414521527 /nfs/dbraw/zinc/52/15/27/414521527.db2.gz DPEFOHVAXHUXPA-KGLIPLIRSA-N 2 2 281.404 0.616 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000660880498 414521533 /nfs/dbraw/zinc/52/15/33/414521533.db2.gz DPEFOHVAXHUXPA-KGLIPLIRSA-N 2 2 281.404 0.616 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000660880498 414521535 /nfs/dbraw/zinc/52/15/35/414521535.db2.gz DPEFOHVAXHUXPA-KGLIPLIRSA-N 2 2 281.404 0.616 20 0 CCADLP C[C@H](c1cccnc1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030899 174023134 /nfs/dbraw/zinc/02/31/34/174023134.db2.gz UXVDLSVHKJROKT-GFCCVEGCSA-N 2 2 262.357 0.506 20 0 CCADLP C[C@H](c1cccnc1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030899 174023137 /nfs/dbraw/zinc/02/31/37/174023137.db2.gz UXVDLSVHKJROKT-GFCCVEGCSA-N 2 2 262.357 0.506 20 0 CCADLP C[C@@H](c1cccnc1)[NH+]1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662266153 414703197 /nfs/dbraw/zinc/70/31/97/414703197.db2.gz YIKYHOZJFLHLEM-HOCLYGCPSA-N 2 2 290.411 0.749 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000662273929 414704167 /nfs/dbraw/zinc/70/41/67/414704167.db2.gz BKLUGOFEZKNYIN-ZIAGYGMSSA-N 3 2 253.390 0.439 20 0 CCADLP CCc1nnc([C@H](C)[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)[nH]1 ZINC000662276728 414704609 /nfs/dbraw/zinc/70/46/09/414704609.db2.gz PEMPRWPCPKWRQO-RYUDHWBXSA-N 2 2 278.404 0.408 20 0 CCADLP CCc1nnc([C@H](C)[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)[nH]1 ZINC000662276728 414704610 /nfs/dbraw/zinc/70/46/10/414704610.db2.gz PEMPRWPCPKWRQO-RYUDHWBXSA-N 2 2 278.404 0.408 20 0 CCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)Nc1ccc(Cl)cn1 ZINC000662286733 414706540 /nfs/dbraw/zinc/70/65/40/414706540.db2.gz KMFLQDSOIGJRAC-UHFFFAOYSA-N 2 2 298.774 0.378 20 0 CCADLP [NH3+]CCN(Cc1cn2cc(Cl)ccc2[nH+]1)C[C@@H](O)CO ZINC000662287665 414706561 /nfs/dbraw/zinc/70/65/61/414706561.db2.gz GIUZSZOKELWAQB-GFCCVEGCSA-N 2 2 298.774 0.102 20 0 CCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)NCCC1CCCCC1 ZINC000662287387 414706709 /nfs/dbraw/zinc/70/67/09/414706709.db2.gz ZHPQGRFXPBLQIP-UHFFFAOYSA-N 2 2 297.443 0.777 20 0 CCADLP C[C@H](NC(=O)C[NH2+]C1(CO)CC[NH2+]CC1)c1cccs1 ZINC000662286043 414706775 /nfs/dbraw/zinc/70/67/75/414706775.db2.gz RDHVUEMOGZUNNY-NSHDSACASA-N 2 2 297.424 0.629 20 0 CCADLP Cc1cccc(C)c1OCCC[N@H+](CC[NH3+])C[C@@H](O)CO ZINC000662288870 414707117 /nfs/dbraw/zinc/70/71/17/414707117.db2.gz MQFMVJLGSXMVQA-OAHLLOKOSA-N 2 2 296.411 0.686 20 0 CCADLP Cc1cccc(C)c1OCCC[N@@H+](CC[NH3+])C[C@@H](O)CO ZINC000662288870 414707118 /nfs/dbraw/zinc/70/71/18/414707118.db2.gz MQFMVJLGSXMVQA-OAHLLOKOSA-N 2 2 296.411 0.686 20 0 CCADLP Cc1ccc(C[N@H+](CC[NH3+])C[C@H](O)CO)c(C)c1 ZINC000662288322 414707136 /nfs/dbraw/zinc/70/71/36/414707136.db2.gz OTLPEFRNZSVVPR-AWEZNQCLSA-N 2 2 252.358 0.417 20 0 CCADLP Cc1ccc(C[N@@H+](CC[NH3+])C[C@H](O)CO)c(C)c1 ZINC000662288322 414707137 /nfs/dbraw/zinc/70/71/37/414707137.db2.gz OTLPEFRNZSVVPR-AWEZNQCLSA-N 2 2 252.358 0.417 20 0 CCADLP C[NH+](C)CCC[C@H]1C[N@H+](CC(=O)NCC2CCC2)CCO1 ZINC000662320330 414709220 /nfs/dbraw/zinc/70/92/20/414709220.db2.gz BCBCMDRXXZPOOA-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP C[NH+](C)CCC[C@H]1C[N@@H+](CC(=O)NCC2CCC2)CCO1 ZINC000662320330 414709221 /nfs/dbraw/zinc/70/92/21/414709221.db2.gz BCBCMDRXXZPOOA-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP C[NH+](C)CCC[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)CCO1 ZINC000662319048 414709517 /nfs/dbraw/zinc/70/95/17/414709517.db2.gz JNDBHRMEXXJVDL-CYBMUJFWSA-N 2 2 285.432 0.944 20 0 CCADLP C[NH+](C)CCC[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)CCO1 ZINC000662319048 414709518 /nfs/dbraw/zinc/70/95/18/414709518.db2.gz JNDBHRMEXXJVDL-CYBMUJFWSA-N 2 2 285.432 0.944 20 0 CCADLP C(C[N@@H+]1CC[C@@H]2COC[C@@H]2C1)[NH+]1CC[C@H]2COC[C@H]2C1 ZINC000662030615 414687808 /nfs/dbraw/zinc/68/78/08/414687808.db2.gz ANFFXMXUPZTFPX-SYMSYNOKSA-N 2 2 280.412 0.923 20 0 CCADLP C(C[N@H+]1CC[C@@H]2COC[C@@H]2C1)[NH+]1CC[C@H]2COC[C@H]2C1 ZINC000662030615 414687809 /nfs/dbraw/zinc/68/78/09/414687809.db2.gz ANFFXMXUPZTFPX-SYMSYNOKSA-N 2 2 280.412 0.923 20 0 CCADLP C(C[N@@H+]1CC[C@H]2COC[C@H]2C1)[NH+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662030615 414687810 /nfs/dbraw/zinc/68/78/10/414687810.db2.gz ANFFXMXUPZTFPX-SYMSYNOKSA-N 2 2 280.412 0.923 20 0 CCADLP C(C[N@H+]1CC[C@H]2COC[C@H]2C1)[NH+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662030615 414687811 /nfs/dbraw/zinc/68/78/11/414687811.db2.gz ANFFXMXUPZTFPX-SYMSYNOKSA-N 2 2 280.412 0.923 20 0 CCADLP Cn1cc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cn1 ZINC000662153419 414694601 /nfs/dbraw/zinc/69/46/01/414694601.db2.gz BFKDXKILFDCAES-CQSZACIVSA-N 2 2 264.373 0.451 20 0 CCADLP Cn1cc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cn1 ZINC000662153419 414694602 /nfs/dbraw/zinc/69/46/02/414694602.db2.gz BFKDXKILFDCAES-CQSZACIVSA-N 2 2 264.373 0.451 20 0 CCADLP CCc1nnc([C@H](C)[N@H+](C)CCN2CC[NH2+]CC2)[nH]1 ZINC000662246078 414698812 /nfs/dbraw/zinc/69/88/12/414698812.db2.gz OCXMKQLIHRPSIA-NSHDSACASA-N 2 2 266.393 0.265 20 0 CCADLP CCc1nnc([C@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)[nH]1 ZINC000662246078 414698813 /nfs/dbraw/zinc/69/88/13/414698813.db2.gz OCXMKQLIHRPSIA-NSHDSACASA-N 2 2 266.393 0.265 20 0 CCADLP CNS(=O)(=O)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000662247004 414699217 /nfs/dbraw/zinc/69/92/17/414699217.db2.gz XRLPCLMPEHRHIZ-BXUZGUMPSA-N 2 2 297.424 0.764 20 0 CCADLP CNS(=O)(=O)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000662247004 414699218 /nfs/dbraw/zinc/69/92/18/414699218.db2.gz XRLPCLMPEHRHIZ-BXUZGUMPSA-N 2 2 297.424 0.764 20 0 CCADLP CCO[C@@H]1C[C@H](O)C12CC[NH+](C[C@H]1C[NH2+]CCO1)CC2 ZINC000662255290 414700583 /nfs/dbraw/zinc/70/05/83/414700583.db2.gz CUJNKRFOSPAASW-HZSPNIEDSA-N 2 2 284.400 0.227 20 0 CCADLP COCCc1noc(C[N@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662256036 414700940 /nfs/dbraw/zinc/70/09/40/414700940.db2.gz ILDSOJHQJYRNGH-LLVKDONJSA-N 2 2 296.371 0.211 20 0 CCADLP COCCc1noc(C[N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662256036 414700941 /nfs/dbraw/zinc/70/09/41/414700941.db2.gz ILDSOJHQJYRNGH-LLVKDONJSA-N 2 2 296.371 0.211 20 0 CCADLP CO[C@H](C)c1noc(C[N@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662258535 414700981 /nfs/dbraw/zinc/70/09/81/414700981.db2.gz JRIPAKYHYRZWQM-MNOVXSKESA-N 2 2 296.371 0.730 20 0 CCADLP CO[C@H](C)c1noc(C[N@@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662258535 414700982 /nfs/dbraw/zinc/70/09/82/414700982.db2.gz JRIPAKYHYRZWQM-MNOVXSKESA-N 2 2 296.371 0.730 20 0 CCADLP CN1CC[N@H+](Cc2ccccc2)[C@@H](CNC(=O)CC[NH3+])C1 ZINC000662744540 414753431 /nfs/dbraw/zinc/75/34/31/414753431.db2.gz POSQMIMOTNXEMB-HNNXBMFYSA-N 2 2 290.411 0.268 20 0 CCADLP CN1CC[N@@H+](Cc2ccccc2)[C@@H](CNC(=O)CC[NH3+])C1 ZINC000662744540 414753437 /nfs/dbraw/zinc/75/34/37/414753437.db2.gz POSQMIMOTNXEMB-HNNXBMFYSA-N 2 2 290.411 0.268 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000662755907 414766833 /nfs/dbraw/zinc/76/68/33/414766833.db2.gz HHVWXTXTZOLZHA-JQWIXIFHSA-N 2 2 280.372 0.693 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000662365733 414711994 /nfs/dbraw/zinc/71/19/94/414711994.db2.gz WOZHKUTZYBSMTP-CYBMUJFWSA-N 2 2 292.383 0.532 20 0 CCADLP C[N@@H+]1CCN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)[C@H](C[NH3+])C1 ZINC000662428292 414717615 /nfs/dbraw/zinc/71/76/15/414717615.db2.gz IFUNVHLIWZXUQO-HIFRSBDPSA-N 3 2 288.395 0.322 20 0 CCADLP C[N@H+]1CCN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)[C@H](C[NH3+])C1 ZINC000662428292 414717616 /nfs/dbraw/zinc/71/76/16/414717616.db2.gz IFUNVHLIWZXUQO-HIFRSBDPSA-N 3 2 288.395 0.322 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000662434161 414718259 /nfs/dbraw/zinc/71/82/59/414718259.db2.gz JRVIKPFTNUOBMT-NSHDSACASA-N 2 2 257.378 0.211 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000662434161 414718260 /nfs/dbraw/zinc/71/82/60/414718260.db2.gz JRVIKPFTNUOBMT-NSHDSACASA-N 2 2 257.378 0.211 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662458598 414720430 /nfs/dbraw/zinc/72/04/30/414720430.db2.gz YOHWBISBXGHWMU-JSGCOSHPSA-N 3 2 282.432 0.269 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662458598 414720431 /nfs/dbraw/zinc/72/04/31/414720431.db2.gz YOHWBISBXGHWMU-JSGCOSHPSA-N 3 2 282.432 0.269 20 0 CCADLP CC(C)[NH2+]CC(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000662526561 414725503 /nfs/dbraw/zinc/72/55/03/414725503.db2.gz HMAJGNKDSHMABK-UHFFFAOYSA-N 2 2 283.376 0.481 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662595136 414731178 /nfs/dbraw/zinc/73/11/78/414731178.db2.gz XZETXRQAMJLCTM-CHWSQXEVSA-N 3 2 284.448 0.502 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662595136 414731179 /nfs/dbraw/zinc/73/11/79/414731179.db2.gz XZETXRQAMJLCTM-CHWSQXEVSA-N 3 2 284.448 0.502 20 0 CCADLP O=C(NCc1ccc[nH+]c1N1CCCC1)[C@H]1C[NH2+]CCO1 ZINC000662623288 414734139 /nfs/dbraw/zinc/73/41/39/414734139.db2.gz KTVMJTNUJNBMMR-CYBMUJFWSA-N 2 2 290.367 0.286 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)c2ccc(C[NH3+])cc2)[C@H](C)CO1 ZINC000662630193 414735082 /nfs/dbraw/zinc/73/50/82/414735082.db2.gz JVWXJTJPUYNICH-CHWSQXEVSA-N 2 2 291.395 0.984 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(C[NH3+])cc2)[C@H](C)CO1 ZINC000662630193 414735083 /nfs/dbraw/zinc/73/50/83/414735083.db2.gz JVWXJTJPUYNICH-CHWSQXEVSA-N 2 2 291.395 0.984 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(C[NH3+])CCCC1 ZINC000662632376 414735151 /nfs/dbraw/zinc/73/51/51/414735151.db2.gz CRSOBUCTCFAIAO-UHFFFAOYSA-N 3 2 284.448 0.505 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(C[NH3+])CCCC1 ZINC000662632376 414735152 /nfs/dbraw/zinc/73/51/52/414735152.db2.gz CRSOBUCTCFAIAO-UHFFFAOYSA-N 3 2 284.448 0.505 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000662633042 414735438 /nfs/dbraw/zinc/73/54/38/414735438.db2.gz XIHPRUDVZHABQW-ZBFHGGJFSA-N 3 2 296.459 0.376 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000662633042 414735439 /nfs/dbraw/zinc/73/54/39/414735439.db2.gz XIHPRUDVZHABQW-ZBFHGGJFSA-N 3 2 296.459 0.376 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]([NH3+])C2CCC2)[C@H](C)CO1 ZINC000662636487 414736134 /nfs/dbraw/zinc/73/61/34/414736134.db2.gz YUZLIDJXOCGPDX-WZRBSPASSA-N 2 2 269.389 0.339 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]([NH3+])C2CCC2)[C@H](C)CO1 ZINC000662636487 414736135 /nfs/dbraw/zinc/73/61/35/414736135.db2.gz YUZLIDJXOCGPDX-WZRBSPASSA-N 2 2 269.389 0.339 20 0 CCADLP CC(C)OC[C@H]([NH3+])C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000662692912 414741996 /nfs/dbraw/zinc/74/19/96/414741996.db2.gz HHCFUYXWFFQCRG-HNNXBMFYSA-N 2 2 291.395 0.871 20 0 CCADLP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCCCCNc1cccc[nH+]1 ZINC000662710563 414744955 /nfs/dbraw/zinc/74/49/55/414744955.db2.gz HIUXZWWIYOQQHB-QWHCGFSZSA-N 2 2 292.383 0.754 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCCc1ccco1 ZINC000662734362 414748571 /nfs/dbraw/zinc/74/85/71/414748571.db2.gz FVVMSOCKEGOPKR-LBPRGKRZSA-N 2 2 253.346 0.607 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@H]2[NH2+]CCC2(C)C)C[C@H](C)O1 ZINC000662790916 414797654 /nfs/dbraw/zinc/79/76/54/414797654.db2.gz GBYROHPJAIHHDN-HZSPNIEDSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@H]2[NH2+]CCC2(C)C)C[C@H](C)O1 ZINC000662790916 414797658 /nfs/dbraw/zinc/79/76/58/414797658.db2.gz GBYROHPJAIHHDN-HZSPNIEDSA-N 2 2 297.443 0.942 20 0 CCADLP O=C(NCc1ccc[nH+]c1N1CCCC1)[C@@H]1COCC[NH2+]1 ZINC000662848876 414839682 /nfs/dbraw/zinc/83/96/82/414839682.db2.gz AXONRCSEIPLYKN-ZDUSSCGKSA-N 2 2 290.367 0.286 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)C2([NH2+]C3CC3)CCC2)[C@@H](C)CO1 ZINC000662857910 414848475 /nfs/dbraw/zinc/84/84/75/414848475.db2.gz CUUXALQHXFJIBG-STQMWFEESA-N 2 2 295.427 0.887 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)C2([NH2+]C3CC3)CCC2)[C@@H](C)CO1 ZINC000662857910 414848480 /nfs/dbraw/zinc/84/84/80/414848480.db2.gz CUUXALQHXFJIBG-STQMWFEESA-N 2 2 295.427 0.887 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]([NH3+])C(C)(C)C)[C@@H](C)CO1 ZINC000662858668 414849804 /nfs/dbraw/zinc/84/98/04/414849804.db2.gz HHSNITHXOFRVNO-QJPTWQEYSA-N 2 2 271.405 0.585 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]([NH3+])C(C)(C)C)[C@@H](C)CO1 ZINC000662858668 414849807 /nfs/dbraw/zinc/84/98/07/414849807.db2.gz HHSNITHXOFRVNO-QJPTWQEYSA-N 2 2 271.405 0.585 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000662860493 414851068 /nfs/dbraw/zinc/85/10/68/414851068.db2.gz SCCHEDXSVFJZDC-AGIUHOORSA-N 2 2 269.389 0.354 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000662860493 414851074 /nfs/dbraw/zinc/85/10/74/414851074.db2.gz SCCHEDXSVFJZDC-AGIUHOORSA-N 2 2 269.389 0.354 20 0 CCADLP O=C([C@H]1CCC[NH2+]CC1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662870413 414853799 /nfs/dbraw/zinc/85/37/99/414853799.db2.gz HECJAKQKFLBCBY-UONOGXRCSA-N 2 2 281.400 0.309 20 0 CCADLP C[C@@H](NC(=O)[C@]1(C)CCC[NH2+]C1)c1[nH+]ccn1C ZINC000662934402 414901575 /nfs/dbraw/zinc/90/15/75/414901575.db2.gz NVEKMLOWUZCUCU-ZWNOBZJWSA-N 2 2 250.346 0.987 20 0 CCADLP C[C@@]1(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC[NH2+]C1 ZINC000663014256 414951087 /nfs/dbraw/zinc/95/10/87/414951087.db2.gz USHNQNJXNKCITL-CQSZACIVSA-N 2 2 271.324 0.749 20 0 CCADLP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]CCC(N)=O)C1 ZINC000663373024 415053896 /nfs/dbraw/zinc/05/38/96/415053896.db2.gz WBFPEGPYHIIMNU-HNNXBMFYSA-N 2 2 290.411 0.268 20 0 CCADLP C[N@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]CCC(N)=O)C1 ZINC000663373024 415053902 /nfs/dbraw/zinc/05/39/02/415053902.db2.gz WBFPEGPYHIIMNU-HNNXBMFYSA-N 2 2 290.411 0.268 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)NC2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000663445453 415066903 /nfs/dbraw/zinc/06/69/03/415066903.db2.gz IJCUQYRUFRVJLY-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)NC1CC1 ZINC000663305367 415039964 /nfs/dbraw/zinc/03/99/64/415039964.db2.gz YMVVIAZPVRORAD-FZMZJTMJSA-N 2 2 281.400 0.496 20 0 CCADLP CNc1[nH+]cnc2c1cnn2CCc1c[nH+]cn1C ZINC000664000284 415199098 /nfs/dbraw/zinc/19/90/98/415199098.db2.gz RFZJKTWVKOXBJR-UHFFFAOYSA-N 2 2 257.301 0.844 20 0 CCADLP CO[C@@H](C)[C@@H](C)NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664926700 415488331 /nfs/dbraw/zinc/48/83/31/415488331.db2.gz FDUUHSDERWCTAF-OLZOCXBDSA-N 2 2 288.436 0.593 20 0 CCADLP CO[C@@H](C)[C@@H](C)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664926700 415488334 /nfs/dbraw/zinc/48/83/34/415488334.db2.gz FDUUHSDERWCTAF-OLZOCXBDSA-N 2 2 288.436 0.593 20 0 CCADLP C[C@@H](NC(=O)NCCOCC[NH+](C)C)c1[nH+]ccn1C ZINC000664732047 415460715 /nfs/dbraw/zinc/46/07/15/415460715.db2.gz OXJVPZIRZZOMAS-LLVKDONJSA-N 2 2 283.376 0.359 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCO[C@H]1CC1(F)F ZINC000665244335 415574868 /nfs/dbraw/zinc/57/48/68/415574868.db2.gz KZPFYNUBKGEYIO-VWYCJHECSA-N 2 2 264.316 0.767 20 0 CCADLP Cc1ncc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)o1 ZINC000665116168 415541644 /nfs/dbraw/zinc/54/16/44/415541644.db2.gz RTENNSDCGGBIDE-UHFFFAOYSA-N 2 2 297.403 0.666 20 0 CCADLP Cc1ncc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)o1 ZINC000665116168 415541648 /nfs/dbraw/zinc/54/16/48/415541648.db2.gz RTENNSDCGGBIDE-UHFFFAOYSA-N 2 2 297.403 0.666 20 0 CCADLP COC[C@H](CC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)OC ZINC000665235100 415573681 /nfs/dbraw/zinc/57/36/81/415573681.db2.gz POGUGVZMNIJIHA-MELADBBJSA-N 2 2 272.389 0.395 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCO[C@@H]1CC1(F)F ZINC000665244334 415577030 /nfs/dbraw/zinc/57/70/30/415577030.db2.gz KZPFYNUBKGEYIO-OUAUKWLOSA-N 2 2 264.316 0.767 20 0 CCADLP CCS(=O)(=O)C1(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000665275218 415583614 /nfs/dbraw/zinc/58/36/14/415583614.db2.gz FNERFJRDWPTPJY-QWRGUYRKSA-N 2 2 260.403 0.541 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C3CCC3)C2)CC1 ZINC000665286813 415587602 /nfs/dbraw/zinc/58/76/02/415587602.db2.gz UYGGHQNLSCWDTF-AWEZNQCLSA-N 2 2 265.401 0.882 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C3CCC3)C2)CC1 ZINC000665286813 415587608 /nfs/dbraw/zinc/58/76/08/415587608.db2.gz UYGGHQNLSCWDTF-AWEZNQCLSA-N 2 2 265.401 0.882 20 0 CCADLP C[C@H](C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+])S(C)(=O)=O ZINC000665299129 415590299 /nfs/dbraw/zinc/59/02/99/415590299.db2.gz HEQJJIVZMPKOTG-MBNYWOFBSA-N 2 2 284.425 0.968 20 0 CCADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)n1 ZINC000665293687 415591015 /nfs/dbraw/zinc/59/10/15/415591015.db2.gz ASTVRYLYKJCRRC-JHJVBQTASA-N 3 2 291.399 0.651 20 0 CCADLP COc1cccc(NC(=O)C[N@H+](C)CCC[NH3+])c1 ZINC000019834764 544417859 /nfs/dbraw/zinc/41/78/59/544417859.db2.gz YQWWYXYXGNGPHN-UHFFFAOYSA-N 2 2 251.330 0.914 20 0 CCADLP COc1cccc(NC(=O)C[N@@H+](C)CCC[NH3+])c1 ZINC000019834764 544417863 /nfs/dbraw/zinc/41/78/63/544417863.db2.gz YQWWYXYXGNGPHN-UHFFFAOYSA-N 2 2 251.330 0.914 20 0 CCADLP C[C@H](CCc1ccco1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000042314270 544428275 /nfs/dbraw/zinc/42/82/75/544428275.db2.gz XYNQHTNHOGPTEK-CYBMUJFWSA-N 2 2 279.384 0.964 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000081899206 544484241 /nfs/dbraw/zinc/48/42/41/544484241.db2.gz KBCPHGGZRCNTEM-LBPRGKRZSA-N 2 2 291.461 0.035 20 0 CCADLP [NH3+]CCOCC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000093230746 544539823 /nfs/dbraw/zinc/53/98/23/544539823.db2.gz PBHRLBDIVIPKGW-UHFFFAOYSA-N 2 2 278.356 0.142 20 0 CCADLP COCC[N@@H+]1CCCN(C(=O)c2ccc(C[NH3+])o2)CC1 ZINC000094569163 544545145 /nfs/dbraw/zinc/54/51/45/544545145.db2.gz QYPPUOVBXUQVMD-UHFFFAOYSA-N 2 2 281.356 0.533 20 0 CCADLP COCC[N@H+]1CCCN(C(=O)c2ccc(C[NH3+])o2)CC1 ZINC000094569163 544545154 /nfs/dbraw/zinc/54/51/54/544545154.db2.gz QYPPUOVBXUQVMD-UHFFFAOYSA-N 2 2 281.356 0.533 20 0 CCADLP O=C(C[C@H]1CC[NH2+]C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000089744145 544516779 /nfs/dbraw/zinc/51/67/79/544516779.db2.gz JCFBIWIWOYPNDD-CQSZACIVSA-N 2 2 288.395 0.725 20 0 CCADLP CC1(OCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[NH2+]C1 ZINC000098061535 544554600 /nfs/dbraw/zinc/55/46/00/544554600.db2.gz XWCXOCRORMLQQS-UHFFFAOYSA-N 2 2 290.367 0.109 20 0 CCADLP CCO[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000121113582 544575024 /nfs/dbraw/zinc/57/50/24/544575024.db2.gz AQVIMQHOXIILAY-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP CCO[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000121113582 544575027 /nfs/dbraw/zinc/57/50/27/544575027.db2.gz AQVIMQHOXIILAY-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CC(=O)NCc2ccco2)CC[N@@H+]1C ZINC000128106471 544610675 /nfs/dbraw/zinc/61/06/75/544610675.db2.gz PJUDXCRSDQWJGW-RYUDHWBXSA-N 2 2 265.357 0.968 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CC(=O)NCc2ccco2)CC[N@H+]1C ZINC000128106471 544610678 /nfs/dbraw/zinc/61/06/78/544610678.db2.gz PJUDXCRSDQWJGW-RYUDHWBXSA-N 2 2 265.357 0.968 20 0 CCADLP CCOCCNC(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151121261 544650684 /nfs/dbraw/zinc/65/06/84/544650684.db2.gz FABVIFGWCBHRDW-UHFFFAOYSA-N 2 2 292.383 0.356 20 0 CCADLP O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3c[nH+]c4ccccn34)C2)N1 ZINC000192634146 544802241 /nfs/dbraw/zinc/80/22/41/544802241.db2.gz JCKPQBWXGYLTNE-HNNXBMFYSA-N 2 2 299.334 0.508 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000227376381 544834768 /nfs/dbraw/zinc/83/47/68/544834768.db2.gz UCIUFOVYOAUFIQ-STQMWFEESA-N 2 2 288.351 0.599 20 0 CCADLP [NH3+]CCCc1cn(Cc2cn3ccccc3[nH+]2)nn1 ZINC000229836363 544849565 /nfs/dbraw/zinc/84/95/65/544849565.db2.gz NUFBZYWFKFGQDA-UHFFFAOYSA-N 2 2 256.313 0.865 20 0 CCADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@H+](C)CCN2C)C1 ZINC000250399882 544923235 /nfs/dbraw/zinc/92/32/35/544923235.db2.gz SCIFVDWSCVUVFL-MELADBBJSA-N 2 2 255.406 0.779 20 0 CCADLP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000250399882 544923240 /nfs/dbraw/zinc/92/32/40/544923240.db2.gz SCIFVDWSCVUVFL-MELADBBJSA-N 2 2 255.406 0.779 20 0 CCADLP COCCCNC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252416978 544929469 /nfs/dbraw/zinc/92/94/69/544929469.db2.gz PVUFMMZZKBZWTP-ZIAGYGMSSA-N 2 2 283.416 0.603 20 0 CCADLP COCCCNC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252416978 544929473 /nfs/dbraw/zinc/92/94/73/544929473.db2.gz PVUFMMZZKBZWTP-ZIAGYGMSSA-N 2 2 283.416 0.603 20 0 CCADLP C[C@H]1C[N@H+](CCCNC(=O)CCc2c[nH+]c[nH]2)CCCO1 ZINC000281443622 544960793 /nfs/dbraw/zinc/96/07/93/544960793.db2.gz CAKNOZFORHCBBN-ZDUSSCGKSA-N 2 2 294.399 0.959 20 0 CCADLP C[C@H]1C[N@@H+](CCCNC(=O)CCc2c[nH+]c[nH]2)CCCO1 ZINC000281443622 544960799 /nfs/dbraw/zinc/96/07/99/544960799.db2.gz CAKNOZFORHCBBN-ZDUSSCGKSA-N 2 2 294.399 0.959 20 0 CCADLP C[C@H]1C[N@H+](CCCNC(=O)CCc2c[nH]c[nH+]2)CCCO1 ZINC000281443622 544960805 /nfs/dbraw/zinc/96/08/05/544960805.db2.gz CAKNOZFORHCBBN-ZDUSSCGKSA-N 2 2 294.399 0.959 20 0 CCADLP C[C@H]1C[N@@H+](CCCNC(=O)CCc2c[nH]c[nH+]2)CCCO1 ZINC000281443622 544960811 /nfs/dbraw/zinc/96/08/11/544960811.db2.gz CAKNOZFORHCBBN-ZDUSSCGKSA-N 2 2 294.399 0.959 20 0 CCADLP CC[N@@H+]1CCCN(C[C@@H](O)C[NH+]2CCOCC2)[C@@H](C)C1 ZINC000320351507 545016119 /nfs/dbraw/zinc/01/61/19/545016119.db2.gz PZCUWSFIFWLEDB-GJZGRUSLSA-N 2 2 285.432 0.096 20 0 CCADLP CC[N@H+]1CCCN(C[C@@H](O)C[NH+]2CCOCC2)[C@@H](C)C1 ZINC000320351507 545016120 /nfs/dbraw/zinc/01/61/20/545016120.db2.gz PZCUWSFIFWLEDB-GJZGRUSLSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)CN2C[C@H](C)[NH+](C)C[C@H]2C)C[C@H](C)O1 ZINC000351943736 545068914 /nfs/dbraw/zinc/06/89/14/545068914.db2.gz HYYKJJAHVQJTGN-NPJQDHAYSA-N 2 2 299.459 0.481 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)CN2C[C@H](C)[NH+](C)C[C@H]2C)C[C@H](C)O1 ZINC000351943736 545068916 /nfs/dbraw/zinc/06/89/16/545068916.db2.gz HYYKJJAHVQJTGN-NPJQDHAYSA-N 2 2 299.459 0.481 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN2C[C@H](C)[N@H+](C)C[C@H]2C)C[C@H](C)O1 ZINC000351943736 545068918 /nfs/dbraw/zinc/06/89/18/545068918.db2.gz HYYKJJAHVQJTGN-NPJQDHAYSA-N 2 2 299.459 0.481 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN2C[C@H](C)[N@@H+](C)C[C@H]2C)C[C@H](C)O1 ZINC000351943736 545068919 /nfs/dbraw/zinc/06/89/19/545068919.db2.gz HYYKJJAHVQJTGN-NPJQDHAYSA-N 2 2 299.459 0.481 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000355269964 545074789 /nfs/dbraw/zinc/07/47/89/545074789.db2.gz VIDXOOAWYGNHAP-CQSZACIVSA-N 2 2 294.399 0.695 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000355269964 545074790 /nfs/dbraw/zinc/07/47/90/545074790.db2.gz VIDXOOAWYGNHAP-CQSZACIVSA-N 2 2 294.399 0.695 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000355269964 545074791 /nfs/dbraw/zinc/07/47/91/545074791.db2.gz VIDXOOAWYGNHAP-CQSZACIVSA-N 2 2 294.399 0.695 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000355269964 545074792 /nfs/dbraw/zinc/07/47/92/545074792.db2.gz VIDXOOAWYGNHAP-CQSZACIVSA-N 2 2 294.399 0.695 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2CCOC2)CC1 ZINC000179156020 265707815 /nfs/dbraw/zinc/70/78/15/265707815.db2.gz MZXOLFYHMPAMBQ-GFCCVEGCSA-N 2 2 284.404 0.101 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000170774144 276191010 /nfs/dbraw/zinc/19/10/10/276191010.db2.gz DMGJFFBQZZMSTP-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000170774144 276191011 /nfs/dbraw/zinc/19/10/11/276191011.db2.gz DMGJFFBQZZMSTP-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCCN2CCC[NH+](C)CC2)C1 ZINC000361184554 276251488 /nfs/dbraw/zinc/25/14/88/276251488.db2.gz SNXIDAJBOCJJDI-JKSUJKDBSA-N 3 2 282.476 0.944 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCCN2CCC[NH+](C)CC2)C1 ZINC000361184554 276251489 /nfs/dbraw/zinc/25/14/89/276251489.db2.gz SNXIDAJBOCJJDI-JKSUJKDBSA-N 3 2 282.476 0.944 20 0 CCADLP CC[NH+]1C[C@H](C)[C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)C1 ZINC000361184554 276251491 /nfs/dbraw/zinc/25/14/91/276251491.db2.gz SNXIDAJBOCJJDI-JKSUJKDBSA-N 3 2 282.476 0.944 20 0 CCADLP CC[NH+]1C[C@H](C)[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C1 ZINC000361184554 276251493 /nfs/dbraw/zinc/25/14/93/276251493.db2.gz SNXIDAJBOCJJDI-JKSUJKDBSA-N 3 2 282.476 0.944 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353615652 276389273 /nfs/dbraw/zinc/38/92/73/276389273.db2.gz ZBVSNMMRNCLJGV-VHSXEESVSA-N 2 2 271.386 0.680 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353615652 276389274 /nfs/dbraw/zinc/38/92/74/276389274.db2.gz ZBVSNMMRNCLJGV-VHSXEESVSA-N 2 2 271.386 0.680 20 0 CCADLP CC[C@H](C(N)=O)[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361519483 545081985 /nfs/dbraw/zinc/08/19/85/545081985.db2.gz ONIODTLLJZVGCE-LLVKDONJSA-N 2 2 278.356 0.476 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000328612225 277078475 /nfs/dbraw/zinc/07/84/75/277078475.db2.gz PEJXTJIMQOOPHR-WDEREUQCSA-N 2 2 266.345 0.547 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000328612225 277078476 /nfs/dbraw/zinc/07/84/76/277078476.db2.gz PEJXTJIMQOOPHR-WDEREUQCSA-N 2 2 266.345 0.547 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000328612225 277078477 /nfs/dbraw/zinc/07/84/77/277078477.db2.gz PEJXTJIMQOOPHR-WDEREUQCSA-N 2 2 266.345 0.547 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000328612225 277078478 /nfs/dbraw/zinc/07/84/78/277078478.db2.gz PEJXTJIMQOOPHR-WDEREUQCSA-N 2 2 266.345 0.547 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C1Cc2ccccc2C1 ZINC000225318939 277102027 /nfs/dbraw/zinc/10/20/27/277102027.db2.gz CZGHINIOQRJYIA-INIZCTEOSA-N 2 2 259.397 0.989 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C1Cc2ccccc2C1 ZINC000225318939 277102028 /nfs/dbraw/zinc/10/20/28/277102028.db2.gz CZGHINIOQRJYIA-INIZCTEOSA-N 2 2 259.397 0.989 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]CCN2CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000420397880 277171137 /nfs/dbraw/zinc/17/11/37/277171137.db2.gz GOAQWBUWMKNZHD-DLBZAZTESA-N 3 2 288.439 0.927 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]CCN2CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000420397880 277171138 /nfs/dbraw/zinc/17/11/38/277171138.db2.gz GOAQWBUWMKNZHD-DLBZAZTESA-N 3 2 288.439 0.927 20 0 CCADLP CNC(=O)CN1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)CC1 ZINC000371324893 277229836 /nfs/dbraw/zinc/22/98/36/277229836.db2.gz ATPWUVKHMAYMGI-AWEZNQCLSA-N 2 2 282.432 0.224 20 0 CCADLP CNC(=O)CN1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)CC1 ZINC000371324893 277229837 /nfs/dbraw/zinc/22/98/37/277229837.db2.gz ATPWUVKHMAYMGI-AWEZNQCLSA-N 2 2 282.432 0.224 20 0 CCADLP CNC(=O)CN1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000371324893 277229838 /nfs/dbraw/zinc/22/98/38/277229838.db2.gz ATPWUVKHMAYMGI-AWEZNQCLSA-N 2 2 282.432 0.224 20 0 CCADLP CNC(=O)CN1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000371324893 277229839 /nfs/dbraw/zinc/22/98/39/277229839.db2.gz ATPWUVKHMAYMGI-AWEZNQCLSA-N 2 2 282.432 0.224 20 0 CCADLP C([NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)C1(N2CCOCC2)CC1 ZINC000423074552 277721183 /nfs/dbraw/zinc/72/11/83/277721183.db2.gz MBKZDBZJEJJFRO-GJZGRUSLSA-N 2 2 295.427 0.208 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152406860 278152577 /nfs/dbraw/zinc/15/25/77/278152577.db2.gz HUTMFVFSBQJXCJ-RBSFLKMASA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152406860 278152579 /nfs/dbraw/zinc/15/25/79/278152579.db2.gz HUTMFVFSBQJXCJ-RBSFLKMASA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152406860 278152580 /nfs/dbraw/zinc/15/25/80/278152580.db2.gz HUTMFVFSBQJXCJ-RBSFLKMASA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152406860 278152581 /nfs/dbraw/zinc/15/25/81/278152581.db2.gz HUTMFVFSBQJXCJ-RBSFLKMASA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H](C(=O)Nc1ncccn1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420388207 278216299 /nfs/dbraw/zinc/21/62/99/278216299.db2.gz WZAKDGANFQFWAK-GRYCIOLGSA-N 2 2 277.372 0.720 20 0 CCADLP C[C@@H](C(=O)Nc1ncccn1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420388207 278216300 /nfs/dbraw/zinc/21/63/00/278216300.db2.gz WZAKDGANFQFWAK-GRYCIOLGSA-N 2 2 277.372 0.720 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)CN1CCOCC1 ZINC000133552790 278218484 /nfs/dbraw/zinc/21/84/84/278218484.db2.gz TWVJPKKEVDXHGD-RDBSUJKOSA-N 2 2 271.405 0.064 20 0 CCADLP CC(=O)[C@H](NC(=O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)C(C)C ZINC000420371456 278236549 /nfs/dbraw/zinc/23/65/49/278236549.db2.gz PLTISASWRLTFIC-UOVKNHIHSA-N 2 2 283.416 0.692 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420368306 278913923 /nfs/dbraw/zinc/91/39/23/278913923.db2.gz NNHWWXFCJCQGKP-MROQNXINSA-N 2 2 298.431 0.833 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000356277808 288092585 /nfs/dbraw/zinc/09/25/85/288092585.db2.gz JXPKOASXMZNDMW-ZOBORPQBSA-N 2 2 254.374 0.864 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000356277808 288092587 /nfs/dbraw/zinc/09/25/87/288092587.db2.gz JXPKOASXMZNDMW-ZOBORPQBSA-N 2 2 254.374 0.864 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000277574916 279171324 /nfs/dbraw/zinc/17/13/24/279171324.db2.gz VIAALOFVCMMEKK-DIFFPNOSSA-N 2 2 255.387 0.892 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000277574916 279171325 /nfs/dbraw/zinc/17/13/25/279171325.db2.gz VIAALOFVCMMEKK-DIFFPNOSSA-N 2 2 255.387 0.892 20 0 CCADLP C[C@](C[NH3+])([NH2+]CC(=O)N1CCO[C@@H]2CCCC[C@H]21)C1CC1 ZINC000430594686 280139917 /nfs/dbraw/zinc/13/99/17/280139917.db2.gz GVCPSTBTLYRGGM-IIAWOOMASA-N 2 2 295.427 0.873 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000178861395 280273370 /nfs/dbraw/zinc/27/33/70/280273370.db2.gz FWQYWEVDCWQMPJ-AGIUHOORSA-N 2 2 269.389 0.149 20 0 CCADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000347025689 282024853 /nfs/dbraw/zinc/02/48/53/282024853.db2.gz NWRNZZOOMXYZDN-QWHCGFSZSA-N 2 2 285.432 0.990 20 0 CCADLP C[NH+](C)C/C=C\C(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000493331839 289039203 /nfs/dbraw/zinc/03/92/03/289039203.db2.gz GQJQUFRHAGLLIQ-FOSCPCJNSA-N 2 2 295.427 0.673 20 0 CCADLP C[NH+](C)C/C=C\C(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000493331839 289039204 /nfs/dbraw/zinc/03/92/04/289039204.db2.gz GQJQUFRHAGLLIQ-FOSCPCJNSA-N 2 2 295.427 0.673 20 0 CCADLP C[C@@]1(C[NH3+])CC[N@@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000261912146 289162851 /nfs/dbraw/zinc/16/28/51/289162851.db2.gz XQYCYNJKGLZMAP-KOLCDFICSA-N 2 2 279.306 0.820 20 0 CCADLP C[C@@]1(C[NH3+])CC[N@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000261912146 289162854 /nfs/dbraw/zinc/16/28/54/289162854.db2.gz XQYCYNJKGLZMAP-KOLCDFICSA-N 2 2 279.306 0.820 20 0 CCADLP C[C@H](C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC000343479331 289275255 /nfs/dbraw/zinc/27/52/55/289275255.db2.gz QRLIBHIBJFCORM-HIFRSBDPSA-N 2 2 281.400 0.309 20 0 CCADLP CN(C)[C@H](C(=O)NCC[NH+]1CCCCC1)c1c[nH+]cn1C ZINC000280683919 289349144 /nfs/dbraw/zinc/34/91/44/289349144.db2.gz CQNKWRXAUBPJOI-AWEZNQCLSA-N 2 2 293.415 0.625 20 0 CCADLP C[C@H](CCCC[NH3+])[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423423759 289460298 /nfs/dbraw/zinc/46/02/98/289460298.db2.gz FCJALLFTKBDEQR-BNOWGMLFSA-N 3 2 255.406 0.861 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(CC[NH+]2CCOC[C@@H]2C)C[C@H]1C ZINC000249085114 290112699 /nfs/dbraw/zinc/11/26/99/290112699.db2.gz TUUOMAMOZCLPSL-ILXRZTDVSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(CC[NH+]2CCOC[C@@H]2C)C[C@H]1C ZINC000249085114 290112704 /nfs/dbraw/zinc/11/27/04/290112704.db2.gz TUUOMAMOZCLPSL-ILXRZTDVSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@H](O)C[NH+]1CCN(CC[N@@H+]2CCOC[C@@H]2C)C[C@H]1C ZINC000249085114 290112705 /nfs/dbraw/zinc/11/27/05/290112705.db2.gz TUUOMAMOZCLPSL-ILXRZTDVSA-N 2 2 285.432 0.094 20 0 CCADLP COC[C@H]([NH3+])C(=O)N[C@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000357238686 293118596 /nfs/dbraw/zinc/11/85/96/293118596.db2.gz HIJYHQAVQVRXEC-OLZOCXBDSA-N 2 2 299.415 0.110 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)C1 ZINC000430616141 295251391 /nfs/dbraw/zinc/25/13/91/295251391.db2.gz DYNZFDOZVHHLPV-ZNMIVQPWSA-N 2 2 295.427 0.827 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)C1 ZINC000430616141 295251394 /nfs/dbraw/zinc/25/13/94/295251394.db2.gz DYNZFDOZVHHLPV-ZNMIVQPWSA-N 2 2 295.427 0.827 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000342766701 297533142 /nfs/dbraw/zinc/53/31/42/297533142.db2.gz WMRUDSCHVTVFEW-ZNMIVQPWSA-N 2 2 295.427 0.698 20 0 CCADLP [NH3+]CC1CCC([NH2+]C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC000423146468 303371108 /nfs/dbraw/zinc/37/11/08/303371108.db2.gz PKTHQNDABOTZFN-YMAMQOFZSA-N 3 2 269.433 0.940 20 0 CCADLP [NH3+]CC1CCC([NH2+]C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC000423146468 303371111 /nfs/dbraw/zinc/37/11/11/303371111.db2.gz PKTHQNDABOTZFN-YMAMQOFZSA-N 3 2 269.433 0.940 20 0 CCADLP [NH3+]CCCC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000237920152 303374443 /nfs/dbraw/zinc/37/44/43/303374443.db2.gz INNVDMDKZVFRPE-OAHLLOKOSA-N 2 2 291.395 0.915 20 0 CCADLP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCC[NH+]1CCOCC1 ZINC000416435162 303398494 /nfs/dbraw/zinc/39/84/94/303398494.db2.gz YKTDIYRVYZACDP-STQMWFEESA-N 2 2 284.404 0.135 20 0 CCADLP C[C@H](CCCCO)[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000582062926 327827144 /nfs/dbraw/zinc/82/71/44/327827144.db2.gz HCIDNZIOYWRHAE-QPSCCSFWSA-N 2 2 288.432 0.597 20 0 CCADLP COC[C@]1(C(=O)N[C@H](C)Cn2cc[nH+]c2)CC[NH2+]C1 ZINC000388396948 327877465 /nfs/dbraw/zinc/87/74/65/327877465.db2.gz XBKGWBMQNUOYTC-YPMHNXCESA-N 2 2 266.345 0.014 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C)[NH+]1CC(C)C1 ZINC000584182027 327061291 /nfs/dbraw/zinc/06/12/91/327061291.db2.gz PEUHBVFJTRAOOT-FRRDWIJNSA-N 2 2 253.390 0.878 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C)[NH+]1CC(C)C1 ZINC000584182027 327061293 /nfs/dbraw/zinc/06/12/93/327061293.db2.gz PEUHBVFJTRAOOT-FRRDWIJNSA-N 2 2 253.390 0.878 20 0 CCADLP CC[C@@H]1C[C@@H](CN2CC[N@H+](C)C[C@@H]2C[NH3+])CCO1 ZINC000584231985 327070957 /nfs/dbraw/zinc/07/09/57/327070957.db2.gz YSQJJNJKHDXTAH-MELADBBJSA-N 2 2 255.406 0.766 20 0 CCADLP CC[C@@H]1C[C@@H](CN2CC[N@@H+](C)C[C@@H]2C[NH3+])CCO1 ZINC000584231985 327070959 /nfs/dbraw/zinc/07/09/59/327070959.db2.gz YSQJJNJKHDXTAH-MELADBBJSA-N 2 2 255.406 0.766 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CN1CCOCC1 ZINC000577623249 327276774 /nfs/dbraw/zinc/27/67/74/327276774.db2.gz JLXOZPVKCCQRAA-GJZGRUSLSA-N 2 2 285.432 0.096 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CN1CCOCC1 ZINC000577623249 327276776 /nfs/dbraw/zinc/27/67/76/327276776.db2.gz JLXOZPVKCCQRAA-GJZGRUSLSA-N 2 2 285.432 0.096 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000577623249 327276777 /nfs/dbraw/zinc/27/67/77/327276777.db2.gz JLXOZPVKCCQRAA-GJZGRUSLSA-N 2 2 285.432 0.096 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000577623249 327276779 /nfs/dbraw/zinc/27/67/79/327276779.db2.gz JLXOZPVKCCQRAA-GJZGRUSLSA-N 2 2 285.432 0.096 20 0 CCADLP CC[N@H+](C)C[C@H](O)CN1CCC[C@H]1C[NH+]1CCOCC1 ZINC000577623249 327276781 /nfs/dbraw/zinc/27/67/81/327276781.db2.gz JLXOZPVKCCQRAA-GJZGRUSLSA-N 2 2 285.432 0.096 20 0 CCADLP CC[N@@H+](C)C[C@H](O)CN1CCC[C@H]1C[NH+]1CCOCC1 ZINC000577623249 327276782 /nfs/dbraw/zinc/27/67/82/327276782.db2.gz JLXOZPVKCCQRAA-GJZGRUSLSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000583383583 327336036 /nfs/dbraw/zinc/33/60/36/327336036.db2.gz LKSBASLCWZUMFN-QWHCGFSZSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000583383583 327336037 /nfs/dbraw/zinc/33/60/37/327336037.db2.gz LKSBASLCWZUMFN-QWHCGFSZSA-N 2 2 283.416 0.602 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000583389702 327339745 /nfs/dbraw/zinc/33/97/45/327339745.db2.gz VCAPSAHDWLVUOT-GRYCIOLGSA-N 2 2 298.349 0.792 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000583389702 327339747 /nfs/dbraw/zinc/33/97/47/327339747.db2.gz VCAPSAHDWLVUOT-GRYCIOLGSA-N 2 2 298.349 0.792 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000583389702 327339749 /nfs/dbraw/zinc/33/97/49/327339749.db2.gz VCAPSAHDWLVUOT-GRYCIOLGSA-N 2 2 298.349 0.792 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000583389702 327339750 /nfs/dbraw/zinc/33/97/50/327339750.db2.gz VCAPSAHDWLVUOT-GRYCIOLGSA-N 2 2 298.349 0.792 20 0 CCADLP [NH3+]Cc1cc(C(=O)N2CC[NH2+]C[C@H]2c2ccncc2)co1 ZINC000579593813 327393690 /nfs/dbraw/zinc/39/36/90/327393690.db2.gz AUTPVYAUWDTIHM-AWEZNQCLSA-N 2 2 286.335 0.920 20 0 CCADLP [NH3+]CC(F)(F)CC(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000584358316 328853831 /nfs/dbraw/zinc/85/38/31/328853831.db2.gz YJVXQIBIUXPZAI-UHFFFAOYSA-N 2 2 281.266 0.612 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]CC1([S@@](C)=O)CCC1)C1CC1 ZINC000393700058 329089024 /nfs/dbraw/zinc/08/90/24/329089024.db2.gz CGUIKUDQVRPPOM-KZULUSFZSA-N 2 2 274.430 0.332 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]CC1([S@@](C)=O)CCC1)C1CC1 ZINC000393700058 329089025 /nfs/dbraw/zinc/08/90/25/329089025.db2.gz CGUIKUDQVRPPOM-KZULUSFZSA-N 2 2 274.430 0.332 20 0 CCADLP CC(C)[C@@H](NC(=O)COC1CC[NH2+]CC1)c1[nH]cc[nH+]1 ZINC000582545104 329104951 /nfs/dbraw/zinc/10/49/51/329104951.db2.gz MXTCZOGBQDSCLI-CYBMUJFWSA-N 2 2 280.372 0.992 20 0 CCADLP C[C@@H](C(=O)NCC[N@@H+]1CCOC[C@@H]1C)[NH+]1CC(C)C1 ZINC000582913338 329287686 /nfs/dbraw/zinc/28/76/86/329287686.db2.gz FWSOZLCZQWHOBM-STQMWFEESA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H](C(=O)NCC[N@H+]1CCOC[C@@H]1C)[NH+]1CC(C)C1 ZINC000582913338 329287687 /nfs/dbraw/zinc/28/76/87/329287687.db2.gz FWSOZLCZQWHOBM-STQMWFEESA-N 2 2 269.389 0.164 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)S(=O)(=O)CC[NH+]1CCCC1 ZINC000575881963 335128236 /nfs/dbraw/zinc/12/82/36/335128236.db2.gz DFEPQIPREAMEQI-UHFFFAOYSA-N 2 2 272.374 0.267 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)S(=O)(=O)CC[NH+]1CCCC1 ZINC000575881963 335128237 /nfs/dbraw/zinc/12/82/37/335128237.db2.gz DFEPQIPREAMEQI-UHFFFAOYSA-N 2 2 272.374 0.267 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000553391539 334381948 /nfs/dbraw/zinc/38/19/48/334381948.db2.gz BUTHFORAXGQTAP-GFCCVEGCSA-N 2 2 251.374 0.635 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000553391539 334381949 /nfs/dbraw/zinc/38/19/49/334381949.db2.gz BUTHFORAXGQTAP-GFCCVEGCSA-N 2 2 251.374 0.635 20 0 CCADLP C[C@H](CNC[C@H](O)C[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000576389789 335197482 /nfs/dbraw/zinc/19/74/82/335197482.db2.gz CVDZYWIPYJUARS-CVEARBPZSA-N 2 2 299.459 0.390 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000576476301 335209436 /nfs/dbraw/zinc/20/94/36/335209436.db2.gz XWGKWFWAAMUHEH-CQSZACIVSA-N 2 2 291.355 0.027 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000576476301 335209437 /nfs/dbraw/zinc/20/94/37/335209437.db2.gz XWGKWFWAAMUHEH-CQSZACIVSA-N 2 2 291.355 0.027 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)N(C)Cc2cnn(C)c2)CC[C@@H]1[NH3+] ZINC000576587718 335223088 /nfs/dbraw/zinc/22/30/88/335223088.db2.gz MNWMVWIJWMNQQQ-AAEUAGOBSA-N 2 2 279.388 0.048 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)N(C)Cc2cnn(C)c2)CC[C@@H]1[NH3+] ZINC000576587718 335223090 /nfs/dbraw/zinc/22/30/90/335223090.db2.gz MNWMVWIJWMNQQQ-AAEUAGOBSA-N 2 2 279.388 0.048 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](O)CC12CCC2 ZINC000576954902 335269328 /nfs/dbraw/zinc/26/93/28/335269328.db2.gz RQAZGURIXPVCFZ-KBPBESRZSA-N 2 2 286.416 0.305 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](O)CC12CCC2 ZINC000576954902 335269329 /nfs/dbraw/zinc/26/93/29/335269329.db2.gz RQAZGURIXPVCFZ-KBPBESRZSA-N 2 2 286.416 0.305 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000576954902 335269331 /nfs/dbraw/zinc/26/93/31/335269331.db2.gz RQAZGURIXPVCFZ-KBPBESRZSA-N 2 2 286.416 0.305 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](O)CC12CCC2 ZINC000576954902 335269333 /nfs/dbraw/zinc/26/93/33/335269333.db2.gz RQAZGURIXPVCFZ-KBPBESRZSA-N 2 2 286.416 0.305 20 0 CCADLP C[NH2+]CC1CC[NH+](Cc2nc(COC)no2)CC1 ZINC000580552034 335278853 /nfs/dbraw/zinc/27/88/53/335278853.db2.gz KXAFSTNHOSNTHT-UHFFFAOYSA-N 2 2 254.334 0.647 20 0 CCADLP CC[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000577103252 335300298 /nfs/dbraw/zinc/30/02/98/335300298.db2.gz ALJOTGCYADULQJ-LBPRGKRZSA-N 2 2 282.413 0.915 20 0 CCADLP CC[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000577103252 335300300 /nfs/dbraw/zinc/30/03/00/335300300.db2.gz ALJOTGCYADULQJ-LBPRGKRZSA-N 2 2 282.413 0.915 20 0 CCADLP CCCC[N@H+](C)C[C@@H](C)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000577365807 335342956 /nfs/dbraw/zinc/34/29/56/335342956.db2.gz PBPDBRLILUHELD-HUUCEWRRSA-N 2 2 287.448 0.390 20 0 CCADLP CCCC[N@@H+](C)C[C@@H](C)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000577365807 335342958 /nfs/dbraw/zinc/34/29/58/335342958.db2.gz PBPDBRLILUHELD-HUUCEWRRSA-N 2 2 287.448 0.390 20 0 CCADLP COC[C@H](O)C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000577602157 335376264 /nfs/dbraw/zinc/37/62/64/335376264.db2.gz YHLANWRKFZWPOW-MRXNPFEDSA-N 2 2 294.395 0.616 20 0 CCADLP COc1c(N)[nH+]cnc1NCCCC[N@H+](C)C1CC1 ZINC000577626743 335381782 /nfs/dbraw/zinc/38/17/82/335381782.db2.gz QMESABSFRXKIOL-UHFFFAOYSA-N 2 2 265.361 0.776 20 0 CCADLP COc1c(N)[nH+]cnc1NCCCC[N@@H+](C)C1CC1 ZINC000577626743 335381783 /nfs/dbraw/zinc/38/17/83/335381783.db2.gz QMESABSFRXKIOL-UHFFFAOYSA-N 2 2 265.361 0.776 20 0 CCADLP COc1c(N)nc[nH+]c1NCCCC[N@H+](C)C1CC1 ZINC000577626743 335381784 /nfs/dbraw/zinc/38/17/84/335381784.db2.gz QMESABSFRXKIOL-UHFFFAOYSA-N 2 2 265.361 0.776 20 0 CCADLP COc1c(N)nc[nH+]c1NCCCC[N@@H+](C)C1CC1 ZINC000577626743 335381785 /nfs/dbraw/zinc/38/17/85/335381785.db2.gz QMESABSFRXKIOL-UHFFFAOYSA-N 2 2 265.361 0.776 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000577629909 335382696 /nfs/dbraw/zinc/38/26/96/335382696.db2.gz UTOBWAHMGUXZSM-ZDUSSCGKSA-N 2 2 250.346 0.731 20 0 CCADLP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000581140306 336014836 /nfs/dbraw/zinc/01/48/36/336014836.db2.gz LCWUQOBVCCNDAJ-STQMWFEESA-N 2 2 283.416 0.242 20 0 CCADLP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000581140306 336014838 /nfs/dbraw/zinc/01/48/38/336014838.db2.gz LCWUQOBVCCNDAJ-STQMWFEESA-N 2 2 283.416 0.242 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C1 ZINC000581258978 336033328 /nfs/dbraw/zinc/03/33/28/336033328.db2.gz UONTZCHSVMUOJT-NSHDSACASA-N 2 2 291.355 0.151 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC000581258978 336033330 /nfs/dbraw/zinc/03/33/30/336033330.db2.gz UONTZCHSVMUOJT-NSHDSACASA-N 2 2 291.355 0.151 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])C1 ZINC000581304534 336043522 /nfs/dbraw/zinc/04/35/22/336043522.db2.gz JQACWPCPBXWHRX-KLHDSHLOSA-N 3 2 299.459 0.685 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCC1=CC[NH+](C)CC1 ZINC000581361803 336060854 /nfs/dbraw/zinc/06/08/54/336060854.db2.gz SKSIJYCEFGXIBC-ZDUSSCGKSA-N 2 2 296.415 0.268 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCC1=CC[NH+](C)CC1 ZINC000581361803 336060855 /nfs/dbraw/zinc/06/08/55/336060855.db2.gz SKSIJYCEFGXIBC-ZDUSSCGKSA-N 2 2 296.415 0.268 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)NCC1=CC[N@H+](C)CC1 ZINC000581361803 336060857 /nfs/dbraw/zinc/06/08/57/336060857.db2.gz SKSIJYCEFGXIBC-ZDUSSCGKSA-N 2 2 296.415 0.268 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000581361803 336060859 /nfs/dbraw/zinc/06/08/59/336060859.db2.gz SKSIJYCEFGXIBC-ZDUSSCGKSA-N 2 2 296.415 0.268 20 0 CCADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)N(C)Cc1[nH+]ccn1C ZINC000581546869 336099992 /nfs/dbraw/zinc/09/99/92/336099992.db2.gz LHRGDQQCNZLFHI-ZJUUUORDSA-N 2 2 253.350 0.687 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000382987642 336101092 /nfs/dbraw/zinc/10/10/92/336101092.db2.gz WSKVBXHANGKGNG-NSHDSACASA-N 2 2 269.389 0.354 20 0 CCADLP C[NH+]1CCC(CCNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000581776953 336145555 /nfs/dbraw/zinc/14/55/55/336145555.db2.gz HJHHYRVQYCGVHD-AWEZNQCLSA-N 3 2 297.447 0.003 20 0 CCADLP C[NH+]1CCC(CCNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000581776953 336145556 /nfs/dbraw/zinc/14/55/56/336145556.db2.gz HJHHYRVQYCGVHD-AWEZNQCLSA-N 3 2 297.447 0.003 20 0 CCADLP C[C@@H](C(=O)N1CCCCC1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000385880314 336159297 /nfs/dbraw/zinc/15/92/97/336159297.db2.gz QDNXPBOABJOWBZ-LSDHHAIUSA-N 2 2 294.443 0.367 20 0 CCADLP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000582012369 336191708 /nfs/dbraw/zinc/19/17/08/336191708.db2.gz FYFQWQXVHBEYJO-KBPBESRZSA-N 2 2 295.427 0.650 20 0 CCADLP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000582012369 336191709 /nfs/dbraw/zinc/19/17/09/336191709.db2.gz FYFQWQXVHBEYJO-KBPBESRZSA-N 2 2 295.427 0.650 20 0 CCADLP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)[C@H]1CC[NH+]2CCO[C@H]1C2 ZINC000582012369 336191711 /nfs/dbraw/zinc/19/17/11/336191711.db2.gz FYFQWQXVHBEYJO-KBPBESRZSA-N 2 2 295.427 0.650 20 0 CCADLP [NH3+]CCC[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000415074972 545093425 /nfs/dbraw/zinc/09/34/25/545093425.db2.gz DHSNVKFGQQBCPY-UHFFFAOYSA-N 3 2 263.385 0.957 20 0 CCADLP CC1(C)C[N@H+](CCCn2cc[nH+]c2)C[C@@H](CO)O1 ZINC000163867364 520465017 /nfs/dbraw/zinc/46/50/17/520465017.db2.gz DBABWGYMAKVMOT-LBPRGKRZSA-N 2 2 253.346 0.745 20 0 CCADLP CC1(C)C[N@@H+](CCCn2cc[nH+]c2)C[C@@H](CO)O1 ZINC000163867364 520465026 /nfs/dbraw/zinc/46/50/26/520465026.db2.gz DBABWGYMAKVMOT-LBPRGKRZSA-N 2 2 253.346 0.745 20 0 CCADLP C[C@@H](C[NH3+])CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000417924870 533768282 /nfs/dbraw/zinc/76/82/82/533768282.db2.gz MUUWHQUCJMAKAQ-RYUDHWBXSA-N 2 2 277.372 0.554 20 0 CCADLP COC(=O)c1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cn1C ZINC000367326523 533807326 /nfs/dbraw/zinc/80/73/26/533807326.db2.gz KLVMDLYSPBGZSO-BETUJISGSA-N 2 2 277.368 0.805 20 0 CCADLP COC(=O)c1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cn1C ZINC000367326523 533807334 /nfs/dbraw/zinc/80/73/34/533807334.db2.gz KLVMDLYSPBGZSO-BETUJISGSA-N 2 2 277.368 0.805 20 0 CCADLP COC(=O)c1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cn1C ZINC000367326523 533807336 /nfs/dbraw/zinc/80/73/36/533807336.db2.gz KLVMDLYSPBGZSO-BETUJISGSA-N 2 2 277.368 0.805 20 0 CCADLP COC(=O)c1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cn1C ZINC000367326523 533807344 /nfs/dbraw/zinc/80/73/44/533807344.db2.gz KLVMDLYSPBGZSO-BETUJISGSA-N 2 2 277.368 0.805 20 0 CCADLP C[C@H](CCCC[NH3+])NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000418116654 533839874 /nfs/dbraw/zinc/83/98/74/533839874.db2.gz QWLRAAFAJZUDAY-CYBMUJFWSA-N 2 2 298.431 0.668 20 0 CCADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(F)cn1 ZINC000358228381 533893026 /nfs/dbraw/zinc/89/30/26/533893026.db2.gz FQWFZNKHIJJASM-GWCFXTLKSA-N 2 2 253.321 0.938 20 0 CCADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(F)cn1 ZINC000358228381 533893031 /nfs/dbraw/zinc/89/30/31/533893031.db2.gz FQWFZNKHIJJASM-GWCFXTLKSA-N 2 2 253.321 0.938 20 0 CCADLP C[NH+]1CCC([N@H+](CCO)Cc2cncnc2)CC1 ZINC000434981660 545095149 /nfs/dbraw/zinc/09/51/49/545095149.db2.gz LFVSTMVKNKFYIN-UHFFFAOYSA-N 2 2 250.346 0.365 20 0 CCADLP C[NH+]1CCC([N@@H+](CCO)Cc2cncnc2)CC1 ZINC000434981660 545095150 /nfs/dbraw/zinc/09/51/50/545095150.db2.gz LFVSTMVKNKFYIN-UHFFFAOYSA-N 2 2 250.346 0.365 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[NH2+]CC2(F)F)CC[NH2+]1 ZINC000424188747 534072456 /nfs/dbraw/zinc/07/24/56/534072456.db2.gz JUVPCPWUWHLFKD-GARJFASQSA-N 2 2 275.343 0.736 20 0 CCADLP CC[NH2+]CCCNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000572976986 517665948 /nfs/dbraw/zinc/66/59/48/517665948.db2.gz USOAQBUSPQALCF-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CC(C)(CNC(=O)CCC1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000050949882 519238733 /nfs/dbraw/zinc/23/87/33/519238733.db2.gz TURCUMQCEYNZKY-UHFFFAOYSA-N 2 2 297.443 0.993 20 0 CCADLP O=C(NCC[C@H]1CCC[NH2+]1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000423584624 534425861 /nfs/dbraw/zinc/42/58/61/534425861.db2.gz OWDBECZQNCODQG-CABCVRRESA-N 2 2 295.427 0.746 20 0 CCADLP O=C(NCC[C@H]1CCC[NH2+]1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000423584624 534425864 /nfs/dbraw/zinc/42/58/64/534425864.db2.gz OWDBECZQNCODQG-CABCVRRESA-N 2 2 295.427 0.746 20 0 CCADLP O=C(CC[C@H]1CC[NH2+]C1)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424189322 534449581 /nfs/dbraw/zinc/44/95/81/534449581.db2.gz KLQFCUMJWXTRJZ-QWRGUYRKSA-N 2 2 275.343 0.737 20 0 CCADLP CCC[NH+]1CCC([NH2+]CCS(=O)(=O)CC)CC1 ZINC000049555438 519846996 /nfs/dbraw/zinc/84/69/96/519846996.db2.gz QRIUGTLXINHDDD-UHFFFAOYSA-N 2 2 262.419 0.885 20 0 CCADLP CC[N@H+](C)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000156407649 520233688 /nfs/dbraw/zinc/23/36/88/520233688.db2.gz FWKXYIXKXKPWSR-NSHDSACASA-N 2 2 250.346 0.513 20 0 CCADLP CC[N@@H+](C)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000156407649 520233691 /nfs/dbraw/zinc/23/36/91/520233691.db2.gz FWKXYIXKXKPWSR-NSHDSACASA-N 2 2 250.346 0.513 20 0 CCADLP CC[N@H+](CCO)CCNCc1c[nH+]ccc1N(C)C ZINC000184549294 521117121 /nfs/dbraw/zinc/11/71/21/521117121.db2.gz YNHCZOHZRWQFRS-UHFFFAOYSA-N 2 2 266.389 0.551 20 0 CCADLP CC[N@@H+](CCO)CCNCc1c[nH+]ccc1N(C)C ZINC000184549294 521117126 /nfs/dbraw/zinc/11/71/26/521117126.db2.gz YNHCZOHZRWQFRS-UHFFFAOYSA-N 2 2 266.389 0.551 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157198833 521740929 /nfs/dbraw/zinc/74/09/29/521740929.db2.gz AOFQTGQROYLTKY-ZDUSSCGKSA-N 2 2 296.415 0.782 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157198833 521740930 /nfs/dbraw/zinc/74/09/30/521740930.db2.gz AOFQTGQROYLTKY-ZDUSSCGKSA-N 2 2 296.415 0.782 20 0 CCADLP COC[C@@H]([NH3+])C(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000262205025 522313195 /nfs/dbraw/zinc/31/31/95/522313195.db2.gz DKLRVZCLTWBICG-CYBMUJFWSA-N 2 2 274.324 0.462 20 0 CCADLP Cc1cnn(C)c1C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449396726 534729408 /nfs/dbraw/zinc/72/94/08/534729408.db2.gz MMFAVTZUAPQMLF-CYBMUJFWSA-N 2 2 266.389 0.665 20 0 CCADLP Cc1cnn(C)c1C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449396726 534729410 /nfs/dbraw/zinc/72/94/10/534729410.db2.gz MMFAVTZUAPQMLF-CYBMUJFWSA-N 2 2 266.389 0.665 20 0 CCADLP CN(CC[NH+](C)C)C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000354502925 524059913 /nfs/dbraw/zinc/05/99/13/524059913.db2.gz VHCJJNOAYNBAJR-UHFFFAOYSA-N 2 2 277.359 0.984 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@]3(C)CC[NH2+]C3)CC2)cc[nH+]1 ZINC000423780365 534757655 /nfs/dbraw/zinc/75/76/55/534757655.db2.gz JLKMXHAHPQVBAN-OAHLLOKOSA-N 2 2 289.383 0.433 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)NCc2c[nH+]cn2C)CC[N@@H+]1C ZINC000357967181 524796932 /nfs/dbraw/zinc/79/69/32/524796932.db2.gz BPMSDYLFBLEHMZ-QWRGUYRKSA-N 2 2 265.361 0.702 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)NCc2c[nH+]cn2C)CC[N@H+]1C ZINC000357967181 524796942 /nfs/dbraw/zinc/79/69/42/524796942.db2.gz BPMSDYLFBLEHMZ-QWRGUYRKSA-N 2 2 265.361 0.702 20 0 CCADLP C[C@H]([NH3+])CCC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000070316442 524829580 /nfs/dbraw/zinc/82/95/80/524829580.db2.gz PFTXKAQFSMXNHV-ZDUSSCGKSA-N 2 2 276.384 0.853 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000353116620 525123288 /nfs/dbraw/zinc/12/32/88/525123288.db2.gz UDMMFOUBNCXRBN-LLVKDONJSA-N 2 2 266.345 0.179 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000353116620 525123302 /nfs/dbraw/zinc/12/33/02/525123302.db2.gz UDMMFOUBNCXRBN-LLVKDONJSA-N 2 2 266.345 0.179 20 0 CCADLP Cc1cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)nn1C ZINC000666419285 545121976 /nfs/dbraw/zinc/12/19/76/545121976.db2.gz JLRJWNUZASOBSZ-UHFFFAOYSA-N 2 2 296.419 0.734 20 0 CCADLP Cc1cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)nn1C ZINC000666419285 545121977 /nfs/dbraw/zinc/12/19/77/545121977.db2.gz JLRJWNUZASOBSZ-UHFFFAOYSA-N 2 2 296.419 0.734 20 0 CCADLP NC(=O)CC1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000182683844 526862659 /nfs/dbraw/zinc/86/26/59/526862659.db2.gz PUQSPFJOZKFFQJ-UHFFFAOYSA-N 2 2 250.346 0.861 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000666808992 545131671 /nfs/dbraw/zinc/13/16/71/545131671.db2.gz AFJVEQPXJWXRAE-JHJVBQTASA-N 2 2 276.384 0.980 20 0 CCADLP C([NH2+]C[C@H]1C[NH2+]CCO1)c1nc2c(s1)CCC2 ZINC000667036202 545137713 /nfs/dbraw/zinc/13/77/13/545137713.db2.gz XSUMTFGEZOBCRS-SECBINFHSA-N 2 2 253.371 0.710 20 0 CCADLP CC(C)([NH3+])CNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000418418424 527246439 /nfs/dbraw/zinc/24/64/39/527246439.db2.gz WVFCXDXAFYHQDA-UHFFFAOYSA-N 2 2 291.399 0.646 20 0 CCADLP NS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667617617 545151501 /nfs/dbraw/zinc/15/15/01/545151501.db2.gz XLOIQBSAFRZLNW-LLVKDONJSA-N 2 2 298.412 0.330 20 0 CCADLP NS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667617617 545151502 /nfs/dbraw/zinc/15/15/02/545151502.db2.gz XLOIQBSAFRZLNW-LLVKDONJSA-N 2 2 298.412 0.330 20 0 CCADLP Cc1[nH+]cc(CN2CC[NH+](C[C@H]3CCOC3)CC2)n1C ZINC000667683084 545153734 /nfs/dbraw/zinc/15/37/34/545153734.db2.gz DSVRIVVVTZCTRC-CQSZACIVSA-N 2 2 278.400 0.883 20 0 CCADLP NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668042223 545162321 /nfs/dbraw/zinc/16/23/21/545162321.db2.gz NHPPBEXRYLRJGQ-OSMZGAPFSA-N 2 2 274.368 0.915 20 0 CCADLP NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668042223 545162322 /nfs/dbraw/zinc/16/23/22/545162322.db2.gz NHPPBEXRYLRJGQ-OSMZGAPFSA-N 2 2 274.368 0.915 20 0 CCADLP COC1(CO)CC[NH+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000668074527 545162581 /nfs/dbraw/zinc/16/25/81/545162581.db2.gz WXZNNPNTXMZZPB-UHFFFAOYSA-N 2 2 265.357 0.803 20 0 CCADLP C[C@@H]1CN(Cc2c[nH+]c3n2CCC3)[C@@H](C)C[N@@H+]1CCO ZINC000668241667 545169190 /nfs/dbraw/zinc/16/91/90/545169190.db2.gz MMCWCBQSJZGNGR-OLZOCXBDSA-N 2 2 278.400 0.716 20 0 CCADLP C[C@@H]1CN(Cc2c[nH+]c3n2CCC3)[C@@H](C)C[N@H+]1CCO ZINC000668241667 545169191 /nfs/dbraw/zinc/16/91/91/545169191.db2.gz MMCWCBQSJZGNGR-OLZOCXBDSA-N 2 2 278.400 0.716 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)n1C ZINC000668597844 545183443 /nfs/dbraw/zinc/18/34/43/545183443.db2.gz VPPIQGBPNQERHI-SMDDNHRTSA-N 2 2 264.373 0.954 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2C[C@H]3COC[C@@]3(C)C2)n1C ZINC000668597844 545183444 /nfs/dbraw/zinc/18/34/44/545183444.db2.gz VPPIQGBPNQERHI-SMDDNHRTSA-N 2 2 264.373 0.954 20 0 CCADLP CCO[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000451521733 527763909 /nfs/dbraw/zinc/76/39/09/527763909.db2.gz FLHSRHYPXKULIS-ZIAGYGMSSA-N 2 2 283.416 0.507 20 0 CCADLP CCO[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000451521733 527763914 /nfs/dbraw/zinc/76/39/14/527763914.db2.gz FLHSRHYPXKULIS-ZIAGYGMSSA-N 2 2 283.416 0.507 20 0 CCADLP CC(C)[C@H]1C[N@H+](C)CCN1CC(=O)N1CC[NH+](C)CC1 ZINC000425478933 527850816 /nfs/dbraw/zinc/85/08/16/527850816.db2.gz NQIPMMIEOIMGPI-CQSZACIVSA-N 2 2 282.432 0.032 20 0 CCADLP CC(C)[C@H]1C[N@@H+](C)CCN1CC(=O)N1CC[NH+](C)CC1 ZINC000425478933 527850821 /nfs/dbraw/zinc/85/08/21/527850821.db2.gz NQIPMMIEOIMGPI-CQSZACIVSA-N 2 2 282.432 0.032 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(CO)CCOCC2)C1 ZINC000358349621 527933962 /nfs/dbraw/zinc/93/39/62/527933962.db2.gz HYCHQNADHKZKJM-OLZOCXBDSA-N 2 2 256.390 0.705 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(CO)CCOCC2)C1 ZINC000358349621 527933966 /nfs/dbraw/zinc/93/39/66/527933966.db2.gz HYCHQNADHKZKJM-OLZOCXBDSA-N 2 2 256.390 0.705 20 0 CCADLP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH2+]CCO2)C12CCC2 ZINC000423541306 527942242 /nfs/dbraw/zinc/94/22/42/527942242.db2.gz APMNVVHKQCCPMG-FRRDWIJNSA-N 2 2 254.374 0.912 20 0 CCADLP C[C@H](CNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)[NH+]1CCOCC1 ZINC000669283171 545204499 /nfs/dbraw/zinc/20/44/99/545204499.db2.gz CKHHZXJTBBWXSQ-RDBSUJKOSA-N 2 2 296.415 0.101 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1c[nH+]cn1C ZINC000358203112 528222811 /nfs/dbraw/zinc/22/28/11/528222811.db2.gz RUBQCFYUPZEKRV-GFCCVEGCSA-N 2 2 250.346 0.911 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCc1c[nH+]cn1C ZINC000358203112 528222816 /nfs/dbraw/zinc/22/28/16/528222816.db2.gz RUBQCFYUPZEKRV-GFCCVEGCSA-N 2 2 250.346 0.911 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456216532 528228892 /nfs/dbraw/zinc/22/88/92/528228892.db2.gz NXOBNBCNGYSYPS-ZNMIVQPWSA-N 2 2 295.427 0.840 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456216532 528228895 /nfs/dbraw/zinc/22/88/95/528228895.db2.gz NXOBNBCNGYSYPS-ZNMIVQPWSA-N 2 2 295.427 0.840 20 0 CCADLP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456216532 528228900 /nfs/dbraw/zinc/22/89/00/528228900.db2.gz NXOBNBCNGYSYPS-ZNMIVQPWSA-N 2 2 295.427 0.840 20 0 CCADLP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456216532 528228904 /nfs/dbraw/zinc/22/89/04/528228904.db2.gz NXOBNBCNGYSYPS-ZNMIVQPWSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](C[C@H]3CCCO3)CC2)CCO1 ZINC000669687475 545219088 /nfs/dbraw/zinc/21/90/88/545219088.db2.gz LZIQJAUWLYUNTJ-HZPDHXFCSA-N 2 2 297.443 0.504 20 0 CCADLP CCC[NH2+]CCNC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000418486833 528495402 /nfs/dbraw/zinc/49/54/02/528495402.db2.gz GRUNKWOHCJDMCH-JTQLQIEISA-N 2 2 278.347 0.530 20 0 CCADLP C[C@H](C(N)=O)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986523 545241291 /nfs/dbraw/zinc/24/12/91/545241291.db2.gz FLQZNOYZJFEIJM-VXGBXAGGSA-N 2 2 255.362 0.047 20 0 CCADLP C[C@H](C(N)=O)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670986523 545241292 /nfs/dbraw/zinc/24/12/92/545241292.db2.gz FLQZNOYZJFEIJM-VXGBXAGGSA-N 2 2 255.362 0.047 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000423753164 528650070 /nfs/dbraw/zinc/65/00/70/528650070.db2.gz GLXRLGIPGFYKKM-ZDUSSCGKSA-N 2 2 283.416 0.731 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000423753164 528650075 /nfs/dbraw/zinc/65/00/75/528650075.db2.gz GLXRLGIPGFYKKM-ZDUSSCGKSA-N 2 2 283.416 0.731 20 0 CCADLP CCOc1cccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)n1 ZINC000358164134 528653925 /nfs/dbraw/zinc/65/39/25/528653925.db2.gz NBDAVWPXOWRWGN-AWEZNQCLSA-N 2 2 265.357 0.637 20 0 CCADLP CCOc1cccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)n1 ZINC000358164134 528653928 /nfs/dbraw/zinc/65/39/28/528653928.db2.gz NBDAVWPXOWRWGN-AWEZNQCLSA-N 2 2 265.357 0.637 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424288036 528996168 /nfs/dbraw/zinc/99/61/68/528996168.db2.gz JUCSZHCVXIQHJP-HUUCEWRRSA-N 3 2 296.459 0.835 20 0 CCADLP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000423576662 529034723 /nfs/dbraw/zinc/03/47/23/529034723.db2.gz RLMJVEDFRDZMBE-STQMWFEESA-N 2 2 252.362 0.486 20 0 CCADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)COCC(=O)OC)C1 ZINC000449087864 529092737 /nfs/dbraw/zinc/09/27/37/529092737.db2.gz ADNRTZZQWGNECK-NEPJUHHUSA-N 2 2 258.362 0.638 20 0 CCADLP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)COCC(=O)OC)C1 ZINC000449087864 529092741 /nfs/dbraw/zinc/09/27/41/529092741.db2.gz ADNRTZZQWGNECK-NEPJUHHUSA-N 2 2 258.362 0.638 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2C[C@H](O)C[C@H](C)C2)CC1 ZINC000412050569 529130784 /nfs/dbraw/zinc/13/07/84/529130784.db2.gz YTWKPLLHSIHFFB-BFHYXJOUSA-N 2 2 283.416 0.242 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@H](O)C[C@H](C)C2)CC1 ZINC000412050569 529130786 /nfs/dbraw/zinc/13/07/86/529130786.db2.gz YTWKPLLHSIHFFB-BFHYXJOUSA-N 2 2 283.416 0.242 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC(Oc3cc[nH+]cc3)C2)C1 ZINC000673657495 545290133 /nfs/dbraw/zinc/29/01/33/545290133.db2.gz JFCNLZJWAJXZCB-CQSZACIVSA-N 2 2 291.351 0.392 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC(Oc3cc[nH+]cc3)C2)C1 ZINC000673657495 545290134 /nfs/dbraw/zinc/29/01/34/545290134.db2.gz JFCNLZJWAJXZCB-CQSZACIVSA-N 2 2 291.351 0.392 20 0 CCADLP CC[C@@H](C)NC(=O)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000361430556 529362479 /nfs/dbraw/zinc/36/24/79/529362479.db2.gz QDAMVLRVEVFBGS-HUUCEWRRSA-N 2 2 296.459 0.613 20 0 CCADLP CC[C@@H](C)NC(=O)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000361430556 529362482 /nfs/dbraw/zinc/36/24/82/529362482.db2.gz QDAMVLRVEVFBGS-HUUCEWRRSA-N 2 2 296.459 0.613 20 0 CCADLP CC(C)[C@H](C[NH2+][C@H]1C[NH2+]CC[C@@H]1C)N1CC[NH+](C)CC1 ZINC000422964007 535022646 /nfs/dbraw/zinc/02/26/46/535022646.db2.gz KEDQFPHBTLYWSY-JYJNAYRXSA-N 3 2 282.476 0.846 20 0 CCADLP Cn1c[nH+]cc1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000674369882 545305229 /nfs/dbraw/zinc/30/52/29/545305229.db2.gz DXOIVLNVMUYQQA-CQSZACIVSA-N 2 2 264.373 0.717 20 0 CCADLP CC(C)[NH+]1CCC([NH2+]CC(=O)NCC(F)F)CC1 ZINC000360917546 535160968 /nfs/dbraw/zinc/16/09/68/535160968.db2.gz FVTHPLUACLISEW-UHFFFAOYSA-N 2 2 263.332 0.830 20 0 CCADLP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2csnn2)CC1 ZINC000344633929 535165260 /nfs/dbraw/zinc/16/52/60/535165260.db2.gz BYHIYIGDOKGJSD-UHFFFAOYSA-N 2 2 270.402 0.863 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000674881153 545317453 /nfs/dbraw/zinc/31/74/53/545317453.db2.gz YPDMUZYHGVAHOY-MRVWCRGKSA-N 2 2 278.400 0.793 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000674881153 545317454 /nfs/dbraw/zinc/31/74/54/545317454.db2.gz YPDMUZYHGVAHOY-MRVWCRGKSA-N 2 2 278.400 0.793 20 0 CCADLP CC[NH+]1CCC(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000262930322 535472030 /nfs/dbraw/zinc/47/20/30/535472030.db2.gz HTTGPROIFPABST-SNVBAGLBSA-N 2 2 261.316 0.584 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000353668141 535525508 /nfs/dbraw/zinc/52/55/08/535525508.db2.gz LUVJHTSNKKOKPD-CQSZACIVSA-N 2 2 279.388 0.571 20 0 CCADLP C[C@H](NC(=O)CCn1cc[nH+]c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676286899 545339807 /nfs/dbraw/zinc/33/98/07/545339807.db2.gz JHAKOJWQKOEOFR-RYUDHWBXSA-N 2 2 266.345 0.109 20 0 CCADLP C[C@H](NC(=O)CCn1cc[nH+]c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676286899 545339808 /nfs/dbraw/zinc/33/98/08/545339808.db2.gz JHAKOJWQKOEOFR-RYUDHWBXSA-N 2 2 266.345 0.109 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000676349157 545342128 /nfs/dbraw/zinc/34/21/28/545342128.db2.gz UTWWILGHWGPPOE-RYUDHWBXSA-N 2 2 257.378 0.164 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000676349157 545342129 /nfs/dbraw/zinc/34/21/29/545342129.db2.gz UTWWILGHWGPPOE-RYUDHWBXSA-N 2 2 257.378 0.164 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000676349157 545342130 /nfs/dbraw/zinc/34/21/30/545342130.db2.gz UTWWILGHWGPPOE-RYUDHWBXSA-N 2 2 257.378 0.164 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676349157 545342131 /nfs/dbraw/zinc/34/21/31/545342131.db2.gz UTWWILGHWGPPOE-RYUDHWBXSA-N 2 2 257.378 0.164 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000676348208 545342305 /nfs/dbraw/zinc/34/23/05/545342305.db2.gz QXRAIIHEFNGTHD-MCIONIFRSA-N 2 2 283.416 0.696 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)[C@@H]1C[NH+](C)CCO1 ZINC000676348208 545342306 /nfs/dbraw/zinc/34/23/06/545342306.db2.gz QXRAIIHEFNGTHD-MCIONIFRSA-N 2 2 283.416 0.696 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000676348208 545342307 /nfs/dbraw/zinc/34/23/07/545342307.db2.gz QXRAIIHEFNGTHD-MCIONIFRSA-N 2 2 283.416 0.696 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676348208 545342308 /nfs/dbraw/zinc/34/23/08/545342308.db2.gz QXRAIIHEFNGTHD-MCIONIFRSA-N 2 2 283.416 0.696 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000347719082 535636441 /nfs/dbraw/zinc/63/64/41/535636441.db2.gz BKLJTEWQOIULOW-CYBMUJFWSA-N 2 2 269.389 0.119 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000360554032 535637791 /nfs/dbraw/zinc/63/77/91/535637791.db2.gz VMRIJFAFNSIRKL-HOCLYGCPSA-N 3 2 294.443 0.224 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000360554032 535637799 /nfs/dbraw/zinc/63/77/99/535637799.db2.gz VMRIJFAFNSIRKL-HOCLYGCPSA-N 3 2 294.443 0.224 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccon2)CC1 ZINC000349235037 535640881 /nfs/dbraw/zinc/64/08/81/535640881.db2.gz FTTHFYXBJIBSIA-NEPJUHHUSA-N 2 2 280.372 0.878 20 0 CCADLP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000676694728 545348945 /nfs/dbraw/zinc/34/89/45/545348945.db2.gz AYSSIWDUPMYJPB-VXGBXAGGSA-N 2 2 262.357 0.656 20 0 CCADLP C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000676694728 545348946 /nfs/dbraw/zinc/34/89/46/545348946.db2.gz AYSSIWDUPMYJPB-VXGBXAGGSA-N 2 2 262.357 0.656 20 0 CCADLP CC(C)[NH2+][C@H]1CCC[N@H+](CC2(O)CCOCC2)C1 ZINC000676700795 545349423 /nfs/dbraw/zinc/34/94/23/545349423.db2.gz DEXRGENIEVUVFI-ZDUSSCGKSA-N 2 2 256.390 0.990 20 0 CCADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CC2(O)CCOCC2)C1 ZINC000676700795 545349424 /nfs/dbraw/zinc/34/94/24/545349424.db2.gz DEXRGENIEVUVFI-ZDUSSCGKSA-N 2 2 256.390 0.990 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]CC2CC[NH+](CCO)CC2)[C@@H](C)C1 ZINC000344217266 535783900 /nfs/dbraw/zinc/78/39/00/535783900.db2.gz QYDLHKTXSPGBQC-ZFWWWQNUSA-N 3 2 269.433 0.621 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]CC2CC[NH+](CCO)CC2)[C@@H](C)C1 ZINC000344217266 535783905 /nfs/dbraw/zinc/78/39/05/535783905.db2.gz QYDLHKTXSPGBQC-ZFWWWQNUSA-N 3 2 269.433 0.621 20 0 CCADLP Cn1ncc2c1nc[nH+]c2N1CC[C@H](OCC[NH+](C)C)C1 ZINC000677420713 545364904 /nfs/dbraw/zinc/36/49/04/545364904.db2.gz HNRCHQKGSQNRTI-NSHDSACASA-N 2 2 290.371 0.520 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1)C(=O)OC ZINC000314283599 535962547 /nfs/dbraw/zinc/96/25/47/535962547.db2.gz NUNCEVPOBFTDIP-WHOFXGATSA-N 2 2 299.415 0.361 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1)C(=O)OC ZINC000314283599 535962553 /nfs/dbraw/zinc/96/25/53/535962553.db2.gz NUNCEVPOBFTDIP-WHOFXGATSA-N 2 2 299.415 0.361 20 0 CCADLP CC[C@H](OC)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000360897778 536020562 /nfs/dbraw/zinc/02/05/62/536020562.db2.gz OSXANFVHKXXHQR-ZDUSSCGKSA-N 2 2 271.405 0.554 20 0 CCADLP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000373023380 536043754 /nfs/dbraw/zinc/04/37/54/536043754.db2.gz HXTPBWDDHYZQGD-CQSZACIVSA-N 2 2 291.395 0.809 20 0 CCADLP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000373023380 536043756 /nfs/dbraw/zinc/04/37/56/536043756.db2.gz HXTPBWDDHYZQGD-CQSZACIVSA-N 2 2 291.395 0.809 20 0 CCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cscn1 ZINC000678115048 545385166 /nfs/dbraw/zinc/38/51/66/545385166.db2.gz RYDCQEFXYLZUPB-JTQLQIEISA-N 2 2 268.386 0.568 20 0 CCADLP CC[C@H](C)NC(=O)CN1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346816993 536157278 /nfs/dbraw/zinc/15/72/78/536157278.db2.gz BKIGVKVMXWMBJV-GJZGRUSLSA-N 2 2 296.459 0.518 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cn2ccc3ccccc32)[C@@H](C[NH3+])C1 ZINC000517580741 536404840 /nfs/dbraw/zinc/40/48/40/536404840.db2.gz IMEWXHKDBXCKBS-AWEZNQCLSA-N 2 2 286.379 0.743 20 0 CCADLP C[N@H+]1CCN(C(=O)Cn2ccc3ccccc32)[C@@H](C[NH3+])C1 ZINC000517580741 536404844 /nfs/dbraw/zinc/40/48/44/536404844.db2.gz IMEWXHKDBXCKBS-AWEZNQCLSA-N 2 2 286.379 0.743 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC2([NH3+])CCCCCC2)[C@H](C[NH3+])C1 ZINC000516959929 536406073 /nfs/dbraw/zinc/40/60/73/536406073.db2.gz DICDKDKZKFHBCC-CYBMUJFWSA-N 3 2 297.447 0.322 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC2([NH3+])CCCCCC2)[C@H](C[NH3+])C1 ZINC000516959929 536406075 /nfs/dbraw/zinc/40/60/75/536406075.db2.gz DICDKDKZKFHBCC-CYBMUJFWSA-N 3 2 297.447 0.322 20 0 CCADLP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000679340682 545407424 /nfs/dbraw/zinc/40/74/24/545407424.db2.gz PQWPZPIBOXQUNF-PWSUYJOCSA-N 2 2 251.378 0.615 20 0 CCADLP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000679340682 545407425 /nfs/dbraw/zinc/40/74/25/545407425.db2.gz PQWPZPIBOXQUNF-PWSUYJOCSA-N 2 2 251.378 0.615 20 0 CCADLP c1cc(N2CCN(CC[NH+]3CCOCC3)CC2)cc[nH+]1 ZINC000679438274 545409287 /nfs/dbraw/zinc/40/92/87/545409287.db2.gz TWAACKJITVKTDX-UHFFFAOYSA-N 2 2 276.384 0.536 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](OC(F)F)C2)CC1 ZINC000679685614 545414554 /nfs/dbraw/zinc/41/45/54/545414554.db2.gz ZWKPSAMAAWYZNN-LLVKDONJSA-N 2 2 291.342 0.464 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](OC(F)F)C2)CC1 ZINC000679685614 545414555 /nfs/dbraw/zinc/41/45/55/545414555.db2.gz ZWKPSAMAAWYZNN-LLVKDONJSA-N 2 2 291.342 0.464 20 0 CCADLP COC[C@@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000262241273 536657505 /nfs/dbraw/zinc/65/75/05/536657505.db2.gz HSRLURGJQFSWBE-DZGCQCFKSA-N 2 2 291.395 0.693 20 0 CCADLP COC[C@@H]([NH3+])C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000262241273 536657513 /nfs/dbraw/zinc/65/75/13/536657513.db2.gz HSRLURGJQFSWBE-DZGCQCFKSA-N 2 2 291.395 0.693 20 0 CCADLP COc1ccc(CNC(=O)C[NH2+]Cc2c[nH+]cn2C)cc1 ZINC000237286891 536873924 /nfs/dbraw/zinc/87/39/24/536873924.db2.gz QJPSOWTUSYIEIQ-UHFFFAOYSA-N 2 2 288.351 0.835 20 0 CCADLP NC(=O)c1c[nH+]ccc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000680830272 545435620 /nfs/dbraw/zinc/43/56/20/545435620.db2.gz YRTINVSWJMXSDA-LLVKDONJSA-N 2 2 276.340 0.091 20 0 CCADLP C[C@H]1C[C@@H]1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681105314 545442896 /nfs/dbraw/zinc/44/28/96/545442896.db2.gz WSUWGIMRTLHSIB-OBJOEFQTSA-N 2 2 265.401 0.927 20 0 CCADLP 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JPBQLSARUYKPEZ-UHFFFAOYSA-N 2 2 274.405 0.822 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000741812372 581552081 /nfs/dbraw/zinc/55/20/81/581552081.db2.gz ZEPOHDLCMSMMKA-JKSUJKDBSA-N 2 2 297.443 0.097 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000741812372 581552085 /nfs/dbraw/zinc/55/20/85/581552085.db2.gz ZEPOHDLCMSMMKA-JKSUJKDBSA-N 2 2 297.443 0.097 20 0 CCADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCN3CCOC3=O)CC2)C1 ZINC000734486556 581565930 /nfs/dbraw/zinc/56/59/30/581565930.db2.gz GEDGFLJPHVGTSX-CQSZACIVSA-N 2 2 296.415 0.150 20 0 CCADLP C[N@H+]1CCC[C@@H](N2CC[NH+](CCN3CCOC3=O)CC2)C1 ZINC000734486556 581565931 /nfs/dbraw/zinc/56/59/31/581565931.db2.gz GEDGFLJPHVGTSX-CQSZACIVSA-N 2 2 296.415 0.150 20 0 CCADLP Cc1cc(NCC(=O)N2CC[NH+](C)CC2)nc(C2CC2)[nH+]1 ZINC000734834787 581590934 /nfs/dbraw/zinc/59/09/34/581590934.db2.gz IRWDUGKLGZOMKV-UHFFFAOYSA-N 2 2 289.383 0.848 20 0 CCADLP O=C(CC[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1)C1CC1 ZINC000767371077 581608768 /nfs/dbraw/zinc/60/87/68/581608768.db2.gz JTYGLJUCSHIRCA-UHFFFAOYSA-N 2 2 293.411 0.596 20 0 CCADLP CN1CC[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000756117552 581656579 /nfs/dbraw/zinc/65/65/79/581656579.db2.gz BWOGOMZFCBPKSU-LSDHHAIUSA-N 2 2 267.417 0.924 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC000756129306 581657766 /nfs/dbraw/zinc/65/77/66/581657766.db2.gz DVWLGUAJXLCJLD-CYBMUJFWSA-N 2 2 292.383 0.458 20 0 CCADLP C[C@@H](NC(=S)NCCC[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000769797638 581706655 /nfs/dbraw/zinc/70/66/55/581706655.db2.gz YGZFFQJFSCYYSW-VXGBXAGGSA-N 2 2 288.461 0.121 20 0 CCADLP C[C@@H](NC(=S)NCCC[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000769797638 581706659 /nfs/dbraw/zinc/70/66/59/581706659.db2.gz YGZFFQJFSCYYSW-VXGBXAGGSA-N 2 2 288.461 0.121 20 0 CCADLP O=C1CCCN1[C@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000732413022 581826741 /nfs/dbraw/zinc/82/67/41/581826741.db2.gz OJQRHOZUWSZLMA-LSDHHAIUSA-N 2 2 295.427 0.530 20 0 CCADLP O=C1CCCN1[C@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000732413022 581826743 /nfs/dbraw/zinc/82/67/43/581826743.db2.gz OJQRHOZUWSZLMA-LSDHHAIUSA-N 2 2 295.427 0.530 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)CCO1 ZINC000759968803 581833897 /nfs/dbraw/zinc/83/38/97/581833897.db2.gz ZATPNHWZJQAXRG-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]([NH+](C)C)CC2)CCO1 ZINC000759968803 581833902 /nfs/dbraw/zinc/83/39/02/581833902.db2.gz ZATPNHWZJQAXRG-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP O=C1C[C@H]([NH2+]Cc2ccoc2)CN1CC[NH+]1CCOCC1 ZINC000771958611 581835716 /nfs/dbraw/zinc/83/57/16/581835716.db2.gz MDHFNIHGZBBKMK-AWEZNQCLSA-N 2 2 293.367 0.302 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000736946620 581871121 /nfs/dbraw/zinc/87/11/21/581871121.db2.gz RCEVHEGIDXYMTM-IJLUTSLNSA-N 2 2 296.333 0.831 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000736946620 581871125 /nfs/dbraw/zinc/87/11/25/581871125.db2.gz RCEVHEGIDXYMTM-IJLUTSLNSA-N 2 2 296.333 0.831 20 0 CCADLP O=C1CCCN1[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000761114006 581888899 /nfs/dbraw/zinc/88/88/99/581888899.db2.gz KSDBSWJHWKECIY-ZIAGYGMSSA-N 2 2 281.400 0.140 20 0 CCADLP O=C1CCCN1[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000761114006 581888903 /nfs/dbraw/zinc/88/89/03/581888903.db2.gz KSDBSWJHWKECIY-ZIAGYGMSSA-N 2 2 281.400 0.140 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCO1 ZINC000746454673 581914537 /nfs/dbraw/zinc/91/45/37/581914537.db2.gz WLUJVPRVIGBISP-CHWSQXEVSA-N 2 2 292.383 0.836 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCO1 ZINC000746454673 581914538 /nfs/dbraw/zinc/91/45/38/581914538.db2.gz WLUJVPRVIGBISP-CHWSQXEVSA-N 2 2 292.383 0.836 20 0 CCADLP Cc1nc(N2CCC([NH3+])(CO)CC2)c(C)c(C)[nH+]1 ZINC000761899128 581925565 /nfs/dbraw/zinc/92/55/65/581925565.db2.gz WEKPYKWTNKFYRV-UHFFFAOYSA-N 2 2 250.346 0.692 20 0 CCADLP CON(C)C(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000774609764 581960061 /nfs/dbraw/zinc/96/00/61/581960061.db2.gz YUTKPTRBICILTE-NSHDSACASA-N 2 2 252.318 0.540 20 0 CCADLP CON(C)C(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000774609764 581960064 /nfs/dbraw/zinc/96/00/64/581960064.db2.gz YUTKPTRBICILTE-NSHDSACASA-N 2 2 252.318 0.540 20 0 CCADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+](C)C[C@@H]2CCCO2)C1 ZINC000774583440 581982208 /nfs/dbraw/zinc/98/22/08/581982208.db2.gz ZNTUHVXOMHRLMV-STQMWFEESA-N 2 2 292.383 0.804 20 0 CCADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+](C)C[C@@H]2CCCO2)C1 ZINC000774583440 581982210 /nfs/dbraw/zinc/98/22/10/581982210.db2.gz ZNTUHVXOMHRLMV-STQMWFEESA-N 2 2 292.383 0.804 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)Nc2ccc(O)cc2)C1 ZINC000843364673 617178583 /nfs/dbraw/zinc/17/85/83/617178583.db2.gz PSHCEWQOTDCCGO-MNOVXSKESA-N 2 2 263.341 1.000 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)Nc2ccc(O)cc2)C1 ZINC000843364673 617178585 /nfs/dbraw/zinc/17/85/85/617178585.db2.gz PSHCEWQOTDCCGO-MNOVXSKESA-N 2 2 263.341 1.000 20 0 CCADLP CC(C)NC(=O)CN1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903732993 613916155 /nfs/dbraw/zinc/91/61/55/613916155.db2.gz IVIJCACXBHWRDM-OAHLLOKOSA-N 2 2 296.459 0.518 20 0 CCADLP CC(C)COC[C@H](O)CN1C[C@@H](c2c[nH+]cn2C)[C@H]([NH3+])C1 ZINC000923420454 614167056 /nfs/dbraw/zinc/16/70/56/614167056.db2.gz NMTBLZPZSRCDDY-MGPQQGTHSA-N 2 2 296.415 0.180 20 0 CCADLP CC(C)(O)C[C@@H](O)C[NH2+]CCCNc1cccc[nH+]1 ZINC000872204430 614200535 /nfs/dbraw/zinc/20/05/35/614200535.db2.gz RBQRPKMITAQVLI-GFCCVEGCSA-N 2 2 267.373 0.995 20 0 CCADLP CC(C)(O)C[C@H](O)C[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000872198634 614205557 /nfs/dbraw/zinc/20/55/57/614205557.db2.gz SWUWEYOMVVDZOW-ZDUSSCGKSA-N 2 2 281.400 0.873 20 0 CCADLP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000884206008 614224555 /nfs/dbraw/zinc/22/45/55/614224555.db2.gz KMIZXGOSUFHYST-OLZOCXBDSA-N 2 2 285.432 0.833 20 0 CCADLP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000884206008 614224558 /nfs/dbraw/zinc/22/45/58/614224558.db2.gz KMIZXGOSUFHYST-OLZOCXBDSA-N 2 2 285.432 0.833 20 0 CCADLP CSCC[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)C(=O)N(C)C ZINC000925668908 617246489 /nfs/dbraw/zinc/24/64/89/617246489.db2.gz LRUFYKYOASTRIW-SNIKSBKOSA-N 2 2 297.468 0.782 20 0 CCADLP C/C=C/[C@H](O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900668765 613194194 /nfs/dbraw/zinc/19/41/94/613194194.db2.gz GYFOBORJTKBTFK-YJQVQVLHSA-N 2 2 295.427 0.550 20 0 CCADLP C/C=C/[C@H](O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900668765 613194196 /nfs/dbraw/zinc/19/41/96/613194196.db2.gz GYFOBORJTKBTFK-YJQVQVLHSA-N 2 2 295.427 0.550 20 0 CCADLP C1CC[C@H]([NH+]2CCOCC2)[C@@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925560436 613225162 /nfs/dbraw/zinc/22/51/62/613225162.db2.gz LYGPTIMESIEJEA-ILXRZTDVSA-N 2 2 283.416 0.208 20 0 CCADLP C/C(=C/C(=O)N1CC[N@H+](C)[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000900849047 613231049 /nfs/dbraw/zinc/23/10/49/613231049.db2.gz WGUBLFWSNOJMBD-ZVHGMHCTSA-N 2 2 281.400 0.427 20 0 CCADLP C/C(=C/C(=O)N1CC[N@@H+](C)[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000900849047 613231050 /nfs/dbraw/zinc/23/10/50/613231050.db2.gz WGUBLFWSNOJMBD-ZVHGMHCTSA-N 2 2 281.400 0.427 20 0 CCADLP C/C(=C\C(=O)NC[C@@H](C)[N@H+](C)C1CC1)C[NH+]1CCOCC1 ZINC000900542313 613256207 /nfs/dbraw/zinc/25/62/07/613256207.db2.gz MREVNQXIZGLVMF-JWAFFJSPSA-N 2 2 295.427 0.864 20 0 CCADLP C/C(=C\C(=O)NC[C@@H](C)[N@@H+](C)C1CC1)C[NH+]1CCOCC1 ZINC000900542313 613256210 /nfs/dbraw/zinc/25/62/10/613256210.db2.gz MREVNQXIZGLVMF-JWAFFJSPSA-N 2 2 295.427 0.864 20 0 CCADLP C=C/C=C/CC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000877959538 613391370 /nfs/dbraw/zinc/39/13/70/613391370.db2.gz ZDVMKUZMFGUELQ-AATRIKPKSA-N 2 2 251.374 0.825 20 0 CCADLP CC(C)NC(=O)CN1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903732992 613915662 /nfs/dbraw/zinc/91/56/62/613915662.db2.gz IVIJCACXBHWRDM-HNNXBMFYSA-N 2 2 296.459 0.518 20 0 CCADLP CC(C)CC(=O)N1CCC([NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925583242 613989433 /nfs/dbraw/zinc/98/94/33/613989433.db2.gz DEVOLRFGLPOBCH-CQSZACIVSA-N 2 2 283.416 0.602 20 0 CCADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000844171362 614033373 /nfs/dbraw/zinc/03/33/73/614033373.db2.gz ZODKYRDFFPYTIH-QNWHQSFQSA-N 2 2 276.384 0.879 20 0 CCADLP CC(C)[C@@H](C(=O)N1CC[NH+](CCO)CC1)[NH+]1CCCC1 ZINC000957782860 614073936 /nfs/dbraw/zinc/07/39/36/614073936.db2.gz WPKAJEOXWSHKKW-AWEZNQCLSA-N 2 2 283.416 0.243 20 0 CCADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCn1cc[nH+]c1 ZINC000743307266 614127623 /nfs/dbraw/zinc/12/76/23/614127623.db2.gz PBOCFYFCAGMBQO-CQSZACIVSA-N 2 2 294.399 0.793 20 0 CCADLP CC(C)COC[C@H](O)C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903870324 614166369 /nfs/dbraw/zinc/16/63/69/614166369.db2.gz MWIGIDAPSBJVHV-ZIAGYGMSSA-N 2 2 256.390 0.848 20 0 CCADLP CC(C)COC[C@H](O)C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903870324 614166371 /nfs/dbraw/zinc/16/63/71/614166371.db2.gz MWIGIDAPSBJVHV-ZIAGYGMSSA-N 2 2 256.390 0.848 20 0 CCADLP CC(C)C[C@](C)(C[NH3+])NC(=O)C[C@@H]([NH3+])C(F)F ZINC000911830027 614228751 /nfs/dbraw/zinc/22/87/51/614228751.db2.gz NRCSOBGHMVDLTL-LDYMZIIASA-N 2 2 251.321 0.849 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000934593992 614340464 /nfs/dbraw/zinc/34/04/64/614340464.db2.gz TXKPFXCLCFGHRW-HUUCEWRRSA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000934593992 614340466 /nfs/dbraw/zinc/34/04/66/614340466.db2.gz TXKPFXCLCFGHRW-HUUCEWRRSA-N 2 2 295.427 0.792 20 0 CCADLP CCC[C@H]1C[NH2+]CCN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000834466068 614443256 /nfs/dbraw/zinc/44/32/56/614443256.db2.gz CPRXJSCOHYANBN-JTQLQIEISA-N 2 2 277.372 0.270 20 0 CCADLP CCCC[C@@H](C[NH3+])NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876543186 614473437 /nfs/dbraw/zinc/47/34/37/614473437.db2.gz HNUSKZHNKRCVCT-BPJJOFIESA-N 2 2 269.389 0.509 20 0 CCADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923326267 614521444 /nfs/dbraw/zinc/52/14/44/614521444.db2.gz JSUIKCJUMPLSIR-RFGFWPKPSA-N 3 2 255.406 0.501 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923326267 614521446 /nfs/dbraw/zinc/52/14/46/614521446.db2.gz JSUIKCJUMPLSIR-RFGFWPKPSA-N 3 2 255.406 0.501 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923326267 614521450 /nfs/dbraw/zinc/52/14/50/614521450.db2.gz JSUIKCJUMPLSIR-RFGFWPKPSA-N 3 2 255.406 0.501 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923326267 614521452 /nfs/dbraw/zinc/52/14/52/614521452.db2.gz JSUIKCJUMPLSIR-RFGFWPKPSA-N 3 2 255.406 0.501 20 0 CCADLP CCC[NH+]1CCC(N(C)C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000864971647 614619603 /nfs/dbraw/zinc/61/96/03/614619603.db2.gz CXWTXNOKFWMSJE-ZDUSSCGKSA-N 2 2 280.372 0.776 20 0 CCADLP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH+]2CCO[C@@H](C)C2)C1 ZINC000906488741 614650773 /nfs/dbraw/zinc/65/07/73/614650773.db2.gz NMYASCWCGLSYTF-LSDHHAIUSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH+]2CCO[C@@H](C)C2)C1 ZINC000906488741 614650777 /nfs/dbraw/zinc/65/07/77/614650777.db2.gz NMYASCWCGLSYTF-LSDHHAIUSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[NH+]1CCC[C@@H](C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000906488741 614650781 /nfs/dbraw/zinc/65/07/81/614650781.db2.gz NMYASCWCGLSYTF-LSDHHAIUSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[NH+]1CCC[C@@H](C(=O)NCC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000906488741 614650783 /nfs/dbraw/zinc/65/07/83/614650783.db2.gz NMYASCWCGLSYTF-LSDHHAIUSA-N 2 2 297.443 0.945 20 0 CCADLP CC1(C)C[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@H]1[NH3+] ZINC000903786086 614672493 /nfs/dbraw/zinc/67/24/93/614672493.db2.gz DDOBTQGBGXQNDF-OUCADQQQSA-N 3 2 253.390 0.424 20 0 CCADLP CC1(C)C[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@H]1[NH3+] ZINC000903786086 614672495 /nfs/dbraw/zinc/67/24/95/614672495.db2.gz DDOBTQGBGXQNDF-OUCADQQQSA-N 3 2 253.390 0.424 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCO[C@@H](C)C2)C1 ZINC000853607739 614716245 /nfs/dbraw/zinc/71/62/45/614716245.db2.gz UMJTYGTVCUTMET-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCO[C@@H](C)C2)C1 ZINC000853607739 614716246 /nfs/dbraw/zinc/71/62/46/614716246.db2.gz UMJTYGTVCUTMET-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[NH+]1CC[C@@H](NC(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000853607739 614716247 /nfs/dbraw/zinc/71/62/47/614716247.db2.gz UMJTYGTVCUTMET-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[NH+]1CC[C@@H](NC(=O)NCC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000853607739 614716248 /nfs/dbraw/zinc/71/62/48/614716248.db2.gz UMJTYGTVCUTMET-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CC1(C)[NH2+]CC[C@@H]1NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876872217 614806671 /nfs/dbraw/zinc/80/66/71/614806671.db2.gz VMESFTKGITXTRW-MVZIDQBPSA-N 2 2 267.373 0.132 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000876733452 614844028 /nfs/dbraw/zinc/84/40/28/614844028.db2.gz YGGBVCXLLCAKKJ-MGPQQGTHSA-N 2 2 295.427 0.683 20 0 CCADLP CCN(C)C(=O)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C(C)C ZINC000830863930 614846290 /nfs/dbraw/zinc/84/62/90/614846290.db2.gz MHVLUSUVIKPACO-KBPBESRZSA-N 2 2 285.432 0.536 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1CN1CCCC1=O ZINC000846803492 614850456 /nfs/dbraw/zinc/85/04/56/614850456.db2.gz CTPIAKXXRALFBU-LSDHHAIUSA-N 2 2 297.443 0.776 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1CN1CCCC1=O ZINC000846803492 614850458 /nfs/dbraw/zinc/85/04/58/614850458.db2.gz CTPIAKXXRALFBU-LSDHHAIUSA-N 2 2 297.443 0.776 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@H]1CN1CCCC1=O ZINC000846803492 614850459 /nfs/dbraw/zinc/85/04/59/614850459.db2.gz CTPIAKXXRALFBU-LSDHHAIUSA-N 2 2 297.443 0.776 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@H]1CN1CCCC1=O ZINC000846803492 614850461 /nfs/dbraw/zinc/85/04/61/614850461.db2.gz CTPIAKXXRALFBU-LSDHHAIUSA-N 2 2 297.443 0.776 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000846803634 614851517 /nfs/dbraw/zinc/85/15/17/614851517.db2.gz DSLSAEMFABMDGG-LSDHHAIUSA-N 2 2 297.443 0.776 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000846803634 614851521 /nfs/dbraw/zinc/85/15/21/614851521.db2.gz DSLSAEMFABMDGG-LSDHHAIUSA-N 2 2 297.443 0.776 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000846803634 614851524 /nfs/dbraw/zinc/85/15/24/614851524.db2.gz DSLSAEMFABMDGG-LSDHHAIUSA-N 2 2 297.443 0.776 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000846803634 614851527 /nfs/dbraw/zinc/85/15/27/614851527.db2.gz DSLSAEMFABMDGG-LSDHHAIUSA-N 2 2 297.443 0.776 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000876966146 614859897 /nfs/dbraw/zinc/85/98/97/614859897.db2.gz NWYSRCJCTJYXGI-FRRDWIJNSA-N 2 2 281.400 0.293 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903025017 614866986 /nfs/dbraw/zinc/86/69/86/614866986.db2.gz ZWKOSRASJINLDZ-OLZOCXBDSA-N 2 2 279.388 0.275 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903025017 614866988 /nfs/dbraw/zinc/86/69/88/614866988.db2.gz ZWKOSRASJINLDZ-OLZOCXBDSA-N 2 2 279.388 0.275 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903025017 614866990 /nfs/dbraw/zinc/86/69/90/614866990.db2.gz ZWKOSRASJINLDZ-OLZOCXBDSA-N 2 2 279.388 0.275 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903025017 614866993 /nfs/dbraw/zinc/86/69/93/614866993.db2.gz ZWKOSRASJINLDZ-OLZOCXBDSA-N 2 2 279.388 0.275 20 0 CCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000866193645 614880031 /nfs/dbraw/zinc/88/00/31/614880031.db2.gz OBXBEROXIDMNCE-PWSUYJOCSA-N 2 2 266.345 0.243 20 0 CCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)C1 ZINC000866193645 614880035 /nfs/dbraw/zinc/88/00/35/614880035.db2.gz OBXBEROXIDMNCE-PWSUYJOCSA-N 2 2 266.345 0.243 20 0 CCADLP CCC[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000969436350 614892612 /nfs/dbraw/zinc/89/26/12/614892612.db2.gz DPIBCQMBGTXKCR-GFCCVEGCSA-N 2 2 264.373 0.953 20 0 CCADLP CC1(C[NH+]2CCC(C(N)=O)([NH+]3CCCCC3)CC2)COC1 ZINC000880253364 614894082 /nfs/dbraw/zinc/89/40/82/614894082.db2.gz ZERRBEBNHAQWBS-UHFFFAOYSA-N 2 2 295.427 0.829 20 0 CCADLP CCCNc1cc(NCC[N@H+](C)CCO)nc[nH+]1 ZINC000884826197 614921850 /nfs/dbraw/zinc/92/18/50/614921850.db2.gz NXNUPTOUWIJVBD-UHFFFAOYSA-N 2 2 253.350 0.635 20 0 CCADLP CCCNc1cc(NCC[N@@H+](C)CCO)nc[nH+]1 ZINC000884826197 614921851 /nfs/dbraw/zinc/92/18/51/614921851.db2.gz NXNUPTOUWIJVBD-UHFFFAOYSA-N 2 2 253.350 0.635 20 0 CCADLP CCCOC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000842478712 614929507 /nfs/dbraw/zinc/92/95/07/614929507.db2.gz NSQAYLAAJUVXPS-DGCLKSJQSA-N 2 2 295.387 0.715 20 0 CCADLP CCCOC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000842478712 614929508 /nfs/dbraw/zinc/92/95/08/614929508.db2.gz NSQAYLAAJUVXPS-DGCLKSJQSA-N 2 2 295.387 0.715 20 0 CCADLP CCCOC(=O)[C@H](C)[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000843377083 614932440 /nfs/dbraw/zinc/93/24/40/614932440.db2.gz OEAPUDPVPSGQMG-QWHCGFSZSA-N 2 2 299.415 0.648 20 0 CCADLP CCCOC(=O)[C@H](C)[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000843377083 614932442 /nfs/dbraw/zinc/93/24/42/614932442.db2.gz OEAPUDPVPSGQMG-QWHCGFSZSA-N 2 2 299.415 0.648 20 0 CCADLP CC[NH+](CC)CCNC(=O)CNc1cccc[nH+]1 ZINC000899905764 614994942 /nfs/dbraw/zinc/99/49/42/614994942.db2.gz ZLXAJETYYMHZST-UHFFFAOYSA-N 2 2 250.346 0.952 20 0 CCADLP CC[N@H+](CCNC(=O)/C=C\C[NH+]1CCOCC1)C1CC1 ZINC000865149938 615047535 /nfs/dbraw/zinc/04/75/35/615047535.db2.gz AHNDVIXZXAEIRF-ARJAWSKDSA-N 2 2 281.400 0.475 20 0 CCADLP CC[N@@H+](CCNC(=O)/C=C\C[NH+]1CCOCC1)C1CC1 ZINC000865149938 615047537 /nfs/dbraw/zinc/04/75/37/615047537.db2.gz AHNDVIXZXAEIRF-ARJAWSKDSA-N 2 2 281.400 0.475 20 0 CCADLP CC[N@H+](CCN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O)C(C)C ZINC000925301168 615047685 /nfs/dbraw/zinc/04/76/85/615047685.db2.gz ZISVOOYLVWRBRS-LBPRGKRZSA-N 2 2 293.371 0.603 20 0 CCADLP CC[N@@H+](CCN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O)C(C)C ZINC000925301168 615047686 /nfs/dbraw/zinc/04/76/86/615047686.db2.gz ZISVOOYLVWRBRS-LBPRGKRZSA-N 2 2 293.371 0.603 20 0 CCADLP CC[N@H+](CCN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O)C(C)C ZINC000925301168 615047687 /nfs/dbraw/zinc/04/76/87/615047687.db2.gz ZISVOOYLVWRBRS-LBPRGKRZSA-N 2 2 293.371 0.603 20 0 CCADLP CC[N@@H+](CCN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O)C(C)C ZINC000925301168 615047688 /nfs/dbraw/zinc/04/76/88/615047688.db2.gz ZISVOOYLVWRBRS-LBPRGKRZSA-N 2 2 293.371 0.603 20 0 CCADLP CCNC(=O)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(C)C ZINC000815131632 615065023 /nfs/dbraw/zinc/06/50/23/615065023.db2.gz IUOOUNQBRPDOFW-OLZOCXBDSA-N 2 2 271.405 0.193 20 0 CCADLP CCN(OC)C(=O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000842768669 615076518 /nfs/dbraw/zinc/07/65/18/615076518.db2.gz CXCPDCOADHGDGZ-VXGBXAGGSA-N 2 2 255.362 0.613 20 0 CCADLP CCN(OC)C(=O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000842768669 615076520 /nfs/dbraw/zinc/07/65/20/615076520.db2.gz CXCPDCOADHGDGZ-VXGBXAGGSA-N 2 2 255.362 0.613 20 0 CCADLP CC[NH2+]CC1CC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000962008294 615081900 /nfs/dbraw/zinc/08/19/00/615081900.db2.gz HIJHZNTVSARLSM-CPCZMJQVSA-N 2 2 276.384 0.950 20 0 CCADLP CC[NH+]1CC([C@@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC000970012772 615090831 /nfs/dbraw/zinc/09/08/31/615090831.db2.gz OLKGPZCZBJAHBN-SNVBAGLBSA-N 2 2 280.372 0.806 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000923517334 615100519 /nfs/dbraw/zinc/10/05/19/615100519.db2.gz JVFCCRFUJNYLGE-UONOGXRCSA-N 3 2 294.443 0.128 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000923517334 615100520 /nfs/dbraw/zinc/10/05/20/615100520.db2.gz JVFCCRFUJNYLGE-UONOGXRCSA-N 3 2 294.443 0.128 20 0 CCADLP CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC000979433237 615110253 /nfs/dbraw/zinc/11/02/53/615110253.db2.gz PFSLPKMKIYFFTE-QWRGUYRKSA-N 2 2 266.345 0.178 20 0 CCADLP CC[NH2+][C@@H](C)[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC000979441440 615112057 /nfs/dbraw/zinc/11/20/57/615112057.db2.gz FVVXHEVKXLIWRP-WCQYABFASA-N 2 2 280.372 0.188 20 0 CCADLP CC[N@@H+]1CCC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900428453 615123088 /nfs/dbraw/zinc/12/30/88/615123088.db2.gz DBJPCOGCIACJPJ-NSHDSACASA-N 2 2 250.346 0.800 20 0 CCADLP CC[N@H+]1CCC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900428453 615123090 /nfs/dbraw/zinc/12/30/90/615123090.db2.gz DBJPCOGCIACJPJ-NSHDSACASA-N 2 2 250.346 0.800 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC[NH+]1CCC1 ZINC000849014653 615145183 /nfs/dbraw/zinc/14/51/83/615145183.db2.gz JZUNIQACSXMDCG-LBPRGKRZSA-N 3 2 253.394 0.290 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC[NH+]1CCC1 ZINC000849014653 615145184 /nfs/dbraw/zinc/14/51/84/615145184.db2.gz JZUNIQACSXMDCG-LBPRGKRZSA-N 3 2 253.394 0.290 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCO[C@@H](C)CC2)CC1 ZINC000932351264 615150819 /nfs/dbraw/zinc/15/08/19/615150819.db2.gz TXLMWBATICIRSO-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCO[C@@H](C)CC2)CC1 ZINC000932351264 615150820 /nfs/dbraw/zinc/15/08/20/615150820.db2.gz TXLMWBATICIRSO-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](CF)C2)CC1 ZINC000880290987 615150890 /nfs/dbraw/zinc/15/08/90/615150890.db2.gz AIVZDUNSGJRNTM-CHWSQXEVSA-N 2 2 271.380 0.830 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](CF)C2)CC1 ZINC000880290987 615150892 /nfs/dbraw/zinc/15/08/92/615150892.db2.gz AIVZDUNSGJRNTM-CHWSQXEVSA-N 2 2 271.380 0.830 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945809186 615214476 /nfs/dbraw/zinc/21/44/76/615214476.db2.gz RTUKWXJVCYLQKB-VXGBXAGGSA-N 2 2 250.346 0.730 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000945809186 615214477 /nfs/dbraw/zinc/21/44/77/615214477.db2.gz RTUKWXJVCYLQKB-VXGBXAGGSA-N 2 2 250.346 0.730 20 0 CCADLP CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H]2C[NH2+]CCOC2)C1 ZINC000925646447 615229000 /nfs/dbraw/zinc/22/90/00/615229000.db2.gz UVQNPYMQWDNCDU-MELADBBJSA-N 2 2 299.415 0.821 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000883118007 615253152 /nfs/dbraw/zinc/25/31/52/615253152.db2.gz MTEDGSVFNUNKHK-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000883118007 615253153 /nfs/dbraw/zinc/25/31/53/615253153.db2.gz MTEDGSVFNUNKHK-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903955732 615334470 /nfs/dbraw/zinc/33/44/70/615334470.db2.gz AUOQOWFMCMAQRE-VHSXEESVSA-N 2 2 284.372 0.644 20 0 CCADLP CCON(C)C(=O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000846064410 615336860 /nfs/dbraw/zinc/33/68/60/615336860.db2.gz LWUGMLJFJFGZEU-UHFFFAOYSA-N 2 2 269.389 0.860 20 0 CCADLP CCN1C[C@@H](C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)OC1=O ZINC000846809833 615344184 /nfs/dbraw/zinc/34/41/84/615344184.db2.gz WNOHXHLKPIYIHP-NWDGAFQWSA-N 2 2 255.362 0.711 20 0 CCADLP CCN1C[C@@H](C[N@H+]2CC[C@@H](C[NH+](C)C)C2)OC1=O ZINC000846809833 615344187 /nfs/dbraw/zinc/34/41/87/615344187.db2.gz WNOHXHLKPIYIHP-NWDGAFQWSA-N 2 2 255.362 0.711 20 0 CCADLP CCO[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C[NH+](C)C ZINC000831719332 615408239 /nfs/dbraw/zinc/40/82/39/615408239.db2.gz RDRAQXAQNMUDCG-OCCSQVGLSA-N 2 2 294.399 0.528 20 0 CCADLP CCO[C@@H](C[NH2+]Cc1cc[nH]c(=O)c1)C[NH+](C)C ZINC000922756673 615410057 /nfs/dbraw/zinc/41/00/57/615410057.db2.gz RVGVRKGMQVVIAW-LBPRGKRZSA-N 2 2 253.346 0.844 20 0 CCADLP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)[C@H]1OC ZINC000893706584 615435608 /nfs/dbraw/zinc/43/56/08/615435608.db2.gz ILNIYAZGFUOVMJ-HKUMRIAESA-N 2 2 265.357 0.980 20 0 CCADLP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000960649385 615440543 /nfs/dbraw/zinc/44/05/43/615440543.db2.gz PNKDGDHRLZUHIS-SCUASFONSA-N 2 2 274.368 0.512 20 0 CCADLP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000960649385 615440545 /nfs/dbraw/zinc/44/05/45/615440545.db2.gz PNKDGDHRLZUHIS-SCUASFONSA-N 2 2 274.368 0.512 20 0 CCADLP CC[C@@H](CO)Nc1cc(N(C)CC[NH+](C)C)nc[nH+]1 ZINC000892777139 615491417 /nfs/dbraw/zinc/49/14/17/615491417.db2.gz MWWBGQORVDUUMR-NSHDSACASA-N 2 2 267.377 0.657 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)Cn1cc[nH+]c1C ZINC000874711985 615567515 /nfs/dbraw/zinc/56/75/15/615567515.db2.gz SYWGHNWHYCNTAB-CYBMUJFWSA-N 2 2 280.372 0.419 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)Cn1cc[nH+]c1C ZINC000874711985 615567516 /nfs/dbraw/zinc/56/75/16/615567516.db2.gz SYWGHNWHYCNTAB-CYBMUJFWSA-N 2 2 280.372 0.419 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1c[nH+]ccc1N ZINC000877435055 615568875 /nfs/dbraw/zinc/56/88/75/615568875.db2.gz XMVKHLKAZGCGJL-LLVKDONJSA-N 2 2 278.356 0.335 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)c1c[nH+]ccc1N ZINC000877435055 615568876 /nfs/dbraw/zinc/56/88/76/615568876.db2.gz XMVKHLKAZGCGJL-LLVKDONJSA-N 2 2 278.356 0.335 20 0 CCADLP CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2nncs2)C1)[NH+](C)C ZINC000969076907 615602632 /nfs/dbraw/zinc/60/26/32/615602632.db2.gz FMDVGLURQKBBJF-GHMZBOCLSA-N 2 2 297.428 0.569 20 0 CCADLP CCc1cc(NC[C@]2(CO)COCC[NH2+]2)nc(CC)[nH+]1 ZINC000895122983 615658622 /nfs/dbraw/zinc/65/86/22/615658622.db2.gz BBXPNZFVBANXSX-AWEZNQCLSA-N 2 2 280.372 0.364 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000929526270 615734160 /nfs/dbraw/zinc/73/41/60/615734160.db2.gz LYLKDIAPNDZRQZ-GFCCVEGCSA-N 2 2 265.357 0.983 20 0 CCADLP CC[C@H]([NH2+]C[C@H](O)c1ccnn1C)[C@@H]1CCCC[NH2+]1 ZINC000925891925 615818739 /nfs/dbraw/zinc/81/87/39/615818739.db2.gz YVKYLMGEPFDNAJ-OBJOEFQTSA-N 2 2 266.389 0.964 20 0 CCADLP CN(C(=O)Cc1[nH]cc[nH+]1)C1CCC([NH2+]CCO)CC1 ZINC000964056085 615828975 /nfs/dbraw/zinc/82/89/75/615828975.db2.gz YZBNHQXFULBAAD-UHFFFAOYSA-N 2 2 280.372 0.304 20 0 CCADLP CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC[NH2+]CC1 ZINC000911691672 615862386 /nfs/dbraw/zinc/86/23/86/615862386.db2.gz CQKYZUMKDGKHSA-LLVKDONJSA-N 2 2 262.357 0.656 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)/C=C/c1ccncn1 ZINC000855415325 615878623 /nfs/dbraw/zinc/87/86/23/615878623.db2.gz VEQFSWDWSFPFQD-AATRIKPKSA-N 2 2 291.399 0.490 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)/C=C/c1ccncn1 ZINC000855415325 615878625 /nfs/dbraw/zinc/87/86/25/615878625.db2.gz VEQFSWDWSFPFQD-AATRIKPKSA-N 2 2 291.399 0.490 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1C=CCC1 ZINC000821055238 615879228 /nfs/dbraw/zinc/87/92/28/615879228.db2.gz NINZBSGBFGPURR-ZDUSSCGKSA-N 2 2 268.405 0.888 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1C=CCC1 ZINC000821055238 615879230 /nfs/dbraw/zinc/87/92/30/615879230.db2.gz NINZBSGBFGPURR-ZDUSSCGKSA-N 2 2 268.405 0.888 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H](O)c1ccccn1 ZINC000855414392 615879240 /nfs/dbraw/zinc/87/92/40/615879240.db2.gz CPCZDUPHACNJPV-CQSZACIVSA-N 2 2 294.399 0.115 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H](O)c1ccccn1 ZINC000855414392 615879241 /nfs/dbraw/zinc/87/92/41/615879241.db2.gz CPCZDUPHACNJPV-CQSZACIVSA-N 2 2 294.399 0.115 20 0 CCADLP C[NH+](C)CCCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000895469453 615882210 /nfs/dbraw/zinc/88/22/10/615882210.db2.gz GEPMQAGKIWQKKY-ZDUSSCGKSA-N 2 2 279.388 0.858 20 0 CCADLP C[NH+](C)CCCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000895469453 615882211 /nfs/dbraw/zinc/88/22/11/615882211.db2.gz GEPMQAGKIWQKKY-ZDUSSCGKSA-N 2 2 279.388 0.858 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](C[C@@H]2CCC3(CCC3)O2)CC1=O ZINC000878802316 615899194 /nfs/dbraw/zinc/89/91/94/615899194.db2.gz DXWSOYYCJLEOSA-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](C[C@@H]2CCC3(CCC3)O2)CC1=O ZINC000878802316 615899197 /nfs/dbraw/zinc/89/91/97/615899197.db2.gz DXWSOYYCJLEOSA-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+](C)CCONC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000854947482 615908045 /nfs/dbraw/zinc/90/80/45/615908045.db2.gz YIXZHAMEXMZEIT-JTQLQIEISA-N 2 2 252.318 0.055 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000877434830 615923401 /nfs/dbraw/zinc/92/34/01/615923401.db2.gz VHRNNVWUPHNZQZ-OLZOCXBDSA-N 2 2 267.373 0.261 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000877434830 615923402 /nfs/dbraw/zinc/92/34/02/615923402.db2.gz VHRNNVWUPHNZQZ-OLZOCXBDSA-N 2 2 267.373 0.261 20 0 CCADLP C[NH+](C)[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC000864069728 615995778 /nfs/dbraw/zinc/99/57/78/615995778.db2.gz HDIZKIUDZIIYFS-RYUDHWBXSA-N 2 2 262.357 0.941 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H]3CC4(CCC4)C(=O)O3)C[C@H]21 ZINC000931278591 615997976 /nfs/dbraw/zinc/99/79/76/615997976.db2.gz GXNCKGGOJYYLEQ-WUHRBBMRSA-N 2 2 264.369 0.964 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H]3CC4(CCC4)C(=O)O3)C[C@H]21 ZINC000931278591 615997978 /nfs/dbraw/zinc/99/79/78/615997978.db2.gz GXNCKGGOJYYLEQ-WUHRBBMRSA-N 2 2 264.369 0.964 20 0 CCADLP CN(C)c1cc(NCCN2CCC([NH+](C)C)CC2)nc[nH+]1 ZINC000892815596 616010139 /nfs/dbraw/zinc/01/01/39/616010139.db2.gz FWNDKEHAXHEWMS-UHFFFAOYSA-N 2 2 292.431 0.981 20 0 CCADLP CN(C)c1cc[nH+]c(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)n1 ZINC000853964780 616028497 /nfs/dbraw/zinc/02/84/97/616028497.db2.gz AMLWJCUAFLPTJR-CYBMUJFWSA-N 2 2 291.399 0.578 20 0 CCADLP CN(C)c1cc[nH+]c(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)n1 ZINC000853964780 616028498 /nfs/dbraw/zinc/02/84/98/616028498.db2.gz AMLWJCUAFLPTJR-CYBMUJFWSA-N 2 2 291.399 0.578 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)N1CC[NH+](CCCO)CC1 ZINC000957354201 616030559 /nfs/dbraw/zinc/03/05/59/616030559.db2.gz PFWPFESUUDXINR-UHFFFAOYSA-N 2 2 292.383 0.288 20 0 CCADLP CN(C)c1ncc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cn1 ZINC000903955840 616036303 /nfs/dbraw/zinc/03/63/03/616036303.db2.gz ZWFWCYICTSTWJB-LLVKDONJSA-N 2 2 285.342 0.877 20 0 CCADLP CN(C)c1ncc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cn1 ZINC000903955841 616036316 /nfs/dbraw/zinc/03/63/16/616036316.db2.gz ZWFWCYICTSTWJB-NSHDSACASA-N 2 2 285.342 0.877 20 0 CCADLP C[N@H+](CC1CC1)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972618039 616062526 /nfs/dbraw/zinc/06/25/26/616062526.db2.gz HJIKTDIOCRDGKY-LBPRGKRZSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@@H+](CC1CC1)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972618039 616062527 /nfs/dbraw/zinc/06/25/27/616062527.db2.gz HJIKTDIOCRDGKY-LBPRGKRZSA-N 2 2 262.357 0.895 20 0 CCADLP Cn1ccn2c(C[N@H+](C)CCCCCC[NH3+])nnc2c1=O ZINC000883441393 616072368 /nfs/dbraw/zinc/07/23/68/616072368.db2.gz NPFNDCFSNSSAIE-UHFFFAOYSA-N 2 2 292.387 0.379 20 0 CCADLP Cn1ccn2c(C[N@@H+](C)CCCCCC[NH3+])nnc2c1=O ZINC000883441393 616072369 /nfs/dbraw/zinc/07/23/69/616072369.db2.gz NPFNDCFSNSSAIE-UHFFFAOYSA-N 2 2 292.387 0.379 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884323141 616076596 /nfs/dbraw/zinc/07/65/96/616076596.db2.gz GAXWAWUXENZGSZ-LBPRGKRZSA-N 2 2 264.373 0.977 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)C=C1CC[NH2+]CC1 ZINC000852884460 616089392 /nfs/dbraw/zinc/08/93/92/616089392.db2.gz ZEWQFFJNKGWXKL-UHFFFAOYSA-N 2 2 267.373 0.087 20 0 CCADLP CN(CC[NH+]1CCOCC1)C[C@H]([NH3+])CC(F)F ZINC000903891103 616089723 /nfs/dbraw/zinc/08/97/23/616089723.db2.gz JRQNBLWJTUZHKI-SNVBAGLBSA-N 2 2 251.321 0.233 20 0 CCADLP C[N@H+](CCO)CCNc1cc(NC2CC2)[nH+]cn1 ZINC000884825462 616108019 /nfs/dbraw/zinc/10/80/19/616108019.db2.gz YBRJAOFIUIJYKK-UHFFFAOYSA-N 2 2 251.334 0.387 20 0 CCADLP C[N@@H+](CCO)CCNc1cc(NC2CC2)[nH+]cn1 ZINC000884825462 616108020 /nfs/dbraw/zinc/10/80/20/616108020.db2.gz YBRJAOFIUIJYKK-UHFFFAOYSA-N 2 2 251.334 0.387 20 0 CCADLP C[N@H+](CCO)[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000972305104 616113020 /nfs/dbraw/zinc/11/30/20/616113020.db2.gz TXLVVJOLIGSMFA-NWDGAFQWSA-N 2 2 292.383 0.355 20 0 CCADLP C[N@@H+](CCO)[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000972305104 616113021 /nfs/dbraw/zinc/11/30/21/616113021.db2.gz TXLVVJOLIGSMFA-NWDGAFQWSA-N 2 2 292.383 0.355 20 0 CCADLP C[N@@H+](Cc1cc[nH]n1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903739198 616165616 /nfs/dbraw/zinc/16/56/16/616165616.db2.gz FCUNBQYENSXLJA-QWHCGFSZSA-N 2 2 250.346 0.610 20 0 CCADLP C[N@H+](Cc1cc[nH]n1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903739198 616165617 /nfs/dbraw/zinc/16/56/17/616165617.db2.gz FCUNBQYENSXLJA-QWHCGFSZSA-N 2 2 250.346 0.610 20 0 CCADLP C[NH+]1CCC(C[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC000894668260 616170679 /nfs/dbraw/zinc/17/06/79/616170679.db2.gz OQKJAMCEXSAWCT-HNNXBMFYSA-N 3 2 269.433 0.765 20 0 CCADLP C[NH+]1CCC(C[NH2+]C[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC000894668260 616170680 /nfs/dbraw/zinc/17/06/80/616170680.db2.gz OQKJAMCEXSAWCT-HNNXBMFYSA-N 3 2 269.433 0.765 20 0 CCADLP C[NH+]1CCC2(CCCN2C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000867144625 616177438 /nfs/dbraw/zinc/17/74/38/616177438.db2.gz KNEVKASTFRFMOS-LBPRGKRZSA-N 2 2 278.356 0.530 20 0 CCADLP C[N@@H+]1CCCC12CC[NH+](CCn1cnnn1)CC2 ZINC000878339301 616177966 /nfs/dbraw/zinc/17/79/66/616177966.db2.gz KPAQHCUSEOTIRE-UHFFFAOYSA-N 2 2 250.350 0.233 20 0 CCADLP C[N@H+]1CCCC12CC[NH+](CCn1cnnn1)CC2 ZINC000878339301 616177967 /nfs/dbraw/zinc/17/79/67/616177967.db2.gz KPAQHCUSEOTIRE-UHFFFAOYSA-N 2 2 250.350 0.233 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865809129 616195787 /nfs/dbraw/zinc/19/57/87/616195787.db2.gz KJMOPGRZUDAYGF-MASHWEEQSA-N 2 2 267.373 0.085 20 0 CCADLP C[N@H+]1CCC[C@@H]1CNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865809129 616195788 /nfs/dbraw/zinc/19/57/88/616195788.db2.gz KJMOPGRZUDAYGF-MASHWEEQSA-N 2 2 267.373 0.085 20 0 CCADLP C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](O)c3c[nH+]c[nH]3)C2)C1 ZINC000868571662 616219462 /nfs/dbraw/zinc/21/94/62/616219462.db2.gz LKBGWCYOJYCRSV-OCCSQVGLSA-N 2 2 278.356 0.387 20 0 CCADLP C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](O)c3c[nH+]c[nH]3)C2)C1 ZINC000868571662 616219463 /nfs/dbraw/zinc/21/94/63/616219463.db2.gz LKBGWCYOJYCRSV-OCCSQVGLSA-N 2 2 278.356 0.387 20 0 CCADLP C[N@@H+]1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C[NH3+])C1 ZINC000903915984 616240474 /nfs/dbraw/zinc/24/04/74/616240474.db2.gz DULMTYXTQYALDM-WTUNAVPPSA-N 3 2 252.406 0.092 20 0 CCADLP C[N@H+]1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C[NH3+])C1 ZINC000903915984 616240475 /nfs/dbraw/zinc/24/04/75/616240475.db2.gz DULMTYXTQYALDM-WTUNAVPPSA-N 3 2 252.406 0.092 20 0 CCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CC3COC3)c2)CC1 ZINC000913664359 616247397 /nfs/dbraw/zinc/24/73/97/616247397.db2.gz GEWFYNMLXRPBJL-UHFFFAOYSA-N 2 2 290.367 0.808 20 0 CCADLP C[NH+](C)C1(CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000922994939 616255848 /nfs/dbraw/zinc/25/58/48/616255848.db2.gz IKBPUDKZRNXMFN-QWHCGFSZSA-N 2 2 296.415 0.195 20 0 CCADLP C[NH+](C)C1(CNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000922994939 616255849 /nfs/dbraw/zinc/25/58/49/616255849.db2.gz IKBPUDKZRNXMFN-QWHCGFSZSA-N 2 2 296.415 0.195 20 0 CCADLP CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC000913507444 616260859 /nfs/dbraw/zinc/26/08/59/616260859.db2.gz PDDDUOCMWLJTLK-KKUMJFAQSA-N 2 2 295.427 0.792 20 0 CCADLP CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC000913507444 616260860 /nfs/dbraw/zinc/26/08/60/616260860.db2.gz PDDDUOCMWLJTLK-KKUMJFAQSA-N 2 2 295.427 0.792 20 0 CCADLP CN(C[C@@H]1C[NH+](C)CCO1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000913507444 616260861 /nfs/dbraw/zinc/26/08/61/616260861.db2.gz PDDDUOCMWLJTLK-KKUMJFAQSA-N 2 2 295.427 0.792 20 0 CCADLP CN(C[C@@H]1C[NH+](C)CCO1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000913507444 616260862 /nfs/dbraw/zinc/26/08/62/616260862.db2.gz PDDDUOCMWLJTLK-KKUMJFAQSA-N 2 2 295.427 0.792 20 0 CCADLP C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000928564575 616298959 /nfs/dbraw/zinc/29/89/59/616298959.db2.gz VHXGRIPGJHUJMV-HUUCEWRRSA-N 2 2 288.395 0.866 20 0 CCADLP C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000928564575 616298963 /nfs/dbraw/zinc/29/89/63/616298963.db2.gz VHXGRIPGJHUJMV-HUUCEWRRSA-N 2 2 288.395 0.866 20 0 CCADLP C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000928564575 616298965 /nfs/dbraw/zinc/29/89/65/616298965.db2.gz VHXGRIPGJHUJMV-HUUCEWRRSA-N 2 2 288.395 0.866 20 0 CCADLP C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000928564575 616298967 /nfs/dbraw/zinc/29/89/67/616298967.db2.gz VHXGRIPGJHUJMV-HUUCEWRRSA-N 2 2 288.395 0.866 20 0 CCADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2cnnn2C)CC1 ZINC000924785709 616327216 /nfs/dbraw/zinc/32/72/16/616327216.db2.gz FFOPTFKBELIHDI-NSHDSACASA-N 2 2 267.377 0.577 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000824432137 616328975 /nfs/dbraw/zinc/32/89/75/616328975.db2.gz OBIMIJWILFMFJF-QWHCGFSZSA-N 2 2 299.415 0.185 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000824432137 616328979 /nfs/dbraw/zinc/32/89/79/616328979.db2.gz OBIMIJWILFMFJF-QWHCGFSZSA-N 2 2 299.415 0.185 20 0 CCADLP COCC[N@@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000982171828 616330167 /nfs/dbraw/zinc/33/01/67/616330167.db2.gz QYBRTCPPYBDPDC-UHFFFAOYSA-N 2 2 292.383 0.454 20 0 CCADLP COCC[N@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC000982171828 616330169 /nfs/dbraw/zinc/33/01/69/616330169.db2.gz QYBRTCPPYBDPDC-UHFFFAOYSA-N 2 2 292.383 0.454 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)CCn3cc[nH+]c3)CC[C@@H]21 ZINC000882501220 616335857 /nfs/dbraw/zinc/33/58/57/616335857.db2.gz NUSLRVVSMWTNPE-OLZOCXBDSA-N 2 2 298.412 0.239 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(S(=O)(=O)CCn3cc[nH+]c3)CC[C@@H]21 ZINC000882501220 616335864 /nfs/dbraw/zinc/33/58/64/616335864.db2.gz NUSLRVVSMWTNPE-OLZOCXBDSA-N 2 2 298.412 0.239 20 0 CCADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2CCOC2=O)C1 ZINC000902196728 616344357 /nfs/dbraw/zinc/34/43/57/616344357.db2.gz RNVBHBMXZZOALG-VXGBXAGGSA-N 2 2 253.346 0.812 20 0 CCADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2CN2CCOC2=O)C1 ZINC000902196728 616344360 /nfs/dbraw/zinc/34/43/60/616344360.db2.gz RNVBHBMXZZOALG-VXGBXAGGSA-N 2 2 253.346 0.812 20 0 CCADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2CN2CCOC2=O)C1 ZINC000902196728 616344365 /nfs/dbraw/zinc/34/43/65/616344365.db2.gz RNVBHBMXZZOALG-VXGBXAGGSA-N 2 2 253.346 0.812 20 0 CCADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2CN2CCOC2=O)C1 ZINC000902196728 616344366 /nfs/dbraw/zinc/34/43/66/616344366.db2.gz RNVBHBMXZZOALG-VXGBXAGGSA-N 2 2 253.346 0.812 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc3oc(=O)oc3c2)C1 ZINC000883088953 616350702 /nfs/dbraw/zinc/35/07/02/616350702.db2.gz WBXKCEOCJQCLTH-CQSZACIVSA-N 2 2 278.308 0.542 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc3oc(=O)oc3c2)C1 ZINC000883088953 616350704 /nfs/dbraw/zinc/35/07/04/616350704.db2.gz WBXKCEOCJQCLTH-CQSZACIVSA-N 2 2 278.308 0.542 20 0 CCADLP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000924754736 616364382 /nfs/dbraw/zinc/36/43/82/616364382.db2.gz GWQCWXJYBTYKIL-QGPPMGRFSA-N 3 2 281.444 0.763 20 0 CCADLP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]C[C@H](O)C[NH+]1CCCCC1 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XDLAWTGABVUNEQ-LLVKDONJSA-N 2 2 250.346 0.976 20 0 CCADLP [NH3+][C@H](CC(=O)N1CCC([NH2+]CC2CC2)CC1)C(F)F ZINC000911839850 636417362 /nfs/dbraw/zinc/41/73/62/636417362.db2.gz CTEVGZJEERZTSO-LLVKDONJSA-N 2 2 275.343 0.960 20 0 CCADLP C[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1cnccn1 ZINC000912386162 636561657 /nfs/dbraw/zinc/56/16/57/636561657.db2.gz BUAAVRPVYKVVCO-ZDUSSCGKSA-N 2 2 293.415 0.580 20 0 CCADLP C[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1cnccn1 ZINC000912386162 636561663 /nfs/dbraw/zinc/56/16/63/636561663.db2.gz BUAAVRPVYKVVCO-ZDUSSCGKSA-N 2 2 293.415 0.580 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)C23CC[NH+](CC2)C3)[C@@H](C)CO1 ZINC000912397334 636569895 /nfs/dbraw/zinc/56/98/95/636569895.db2.gz YILSQNWJWBNLEM-STQMWFEESA-N 2 2 281.400 0.308 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)C23CC[NH+](CC2)C3)[C@@H](C)CO1 ZINC000912397334 636569904 /nfs/dbraw/zinc/56/99/04/636569904.db2.gz YILSQNWJWBNLEM-STQMWFEESA-N 2 2 281.400 0.308 20 0 CCADLP C[C@@H]1[C@H](C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)CC[N@@H+]1C ZINC000913458850 636813612 /nfs/dbraw/zinc/81/36/12/636813612.db2.gz WVESXMWRDBNTPR-RTXFEEFZSA-N 2 2 277.372 0.223 20 0 CCADLP C[C@@H]1[C@H](C(=O)N2CC[NH2+][C@H](c3cn[nH]c3)C2)CC[N@H+]1C ZINC000913458850 636813615 /nfs/dbraw/zinc/81/36/15/636813615.db2.gz WVESXMWRDBNTPR-RTXFEEFZSA-N 2 2 277.372 0.223 20 0 CCADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnc(N)cn3)CC[C@@H]21 ZINC000231301740 637212198 /nfs/dbraw/zinc/21/21/98/637212198.db2.gz PFYGLEOJDXRFFS-AAEUAGOBSA-N 2 2 261.373 0.975 20 0 CCADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnc(N)cn3)CC[C@@H]21 ZINC000231301740 637212204 /nfs/dbraw/zinc/21/22/04/637212204.db2.gz PFYGLEOJDXRFFS-AAEUAGOBSA-N 2 2 261.373 0.975 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnc(N)cn3)CC[C@@H]21 ZINC000231301740 637212208 /nfs/dbraw/zinc/21/22/08/637212208.db2.gz PFYGLEOJDXRFFS-AAEUAGOBSA-N 2 2 261.373 0.975 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnc(N)cn3)CC[C@@H]21 ZINC000231301740 637212217 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CC(C)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001016000921 650672211 /nfs/dbraw/zinc/67/22/11/650672211.db2.gz GLPVMXSNYGRFOU-LBPRGKRZSA-N 2 2 264.373 0.809 20 0 CCADLP C[C@H](F)CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001015995825 650672272 /nfs/dbraw/zinc/67/22/72/650672272.db2.gz AOYNPUJDYCPJOI-NWDGAFQWSA-N 2 2 282.363 0.901 20 0 CCADLP C[C@H](F)CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001015995825 650672274 /nfs/dbraw/zinc/67/22/74/650672274.db2.gz AOYNPUJDYCPJOI-NWDGAFQWSA-N 2 2 282.363 0.901 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001016001676 650673188 /nfs/dbraw/zinc/67/31/88/650673188.db2.gz PCYRCRCHWXEELD-RYUDHWBXSA-N 2 2 280.372 0.188 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001016001676 650673189 /nfs/dbraw/zinc/67/31/89/650673189.db2.gz PCYRCRCHWXEELD-RYUDHWBXSA-N 2 2 280.372 0.188 20 0 CCADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000824112460 641806310 /nfs/dbraw/zinc/80/63/10/641806310.db2.gz SIMVRRNAWMOJLD-MRINAFOASA-N 2 2 293.411 0.618 20 0 CCADLP CC(C)(CNC(=O)c1cccc(C[NH3+])c1)[NH+]1CCOCC1 ZINC000825687187 641903938 /nfs/dbraw/zinc/90/39/38/641903938.db2.gz ZVARTALIYORPKS-UHFFFAOYSA-N 2 2 291.395 0.986 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](CCF)C1 ZINC001016261273 650708631 /nfs/dbraw/zinc/70/86/31/650708631.db2.gz WJNGQEILWSGXLZ-LLVKDONJSA-N 2 2 254.309 0.352 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](CCF)C1 ZINC001016261273 650708634 /nfs/dbraw/zinc/70/86/34/650708634.db2.gz WJNGQEILWSGXLZ-LLVKDONJSA-N 2 2 254.309 0.352 20 0 CCADLP C[C@H](NC(=O)c1cccc(C[NH3+])c1)[C@H](C)[NH+]1CCOCC1 ZINC000828771556 642118677 /nfs/dbraw/zinc/11/86/77/642118677.db2.gz BVUVZWQPWPQIII-STQMWFEESA-N 2 2 291.395 0.984 20 0 CCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)c1cccc(C[NH3+])c1 ZINC000828876951 642127308 /nfs/dbraw/zinc/12/73/08/642127308.db2.gz NAZZAKOQLBRPRW-ZDUSSCGKSA-N 2 2 290.411 0.511 20 0 CCADLP Cc1ccccc1[C@H](O)C[NH2+]C[C@@H](O)C[NH+](C)C ZINC000843063116 642985989 /nfs/dbraw/zinc/98/59/89/642985989.db2.gz SDVXCHOGPPFWHK-TZMCWYRMSA-N 2 2 252.358 0.541 20 0 CCADLP Cn1c[nH+]cc1Cc1noc(C[C@H]2CSCC[NH2+]2)n1 ZINC000843199517 643011791 /nfs/dbraw/zinc/01/17/91/643011791.db2.gz DQHYFILVYNUQBB-VIFPVBQESA-N 2 2 279.369 0.641 20 0 CCADLP Cn1c[nH+]cc1Cc1noc(C[C@@H]2CSCC[NH2+]2)n1 ZINC000843199516 643012214 /nfs/dbraw/zinc/01/22/14/643012214.db2.gz DQHYFILVYNUQBB-SECBINFHSA-N 2 2 279.369 0.641 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844190419 643176060 /nfs/dbraw/zinc/17/60/60/643176060.db2.gz FOLWZDIGASCALY-SNVBAGLBSA-N 2 2 252.318 0.103 20 0 CCADLP C[N@H+](CC(F)F)C1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000844188852 643176291 /nfs/dbraw/zinc/17/62/91/643176291.db2.gz ZDKWIZVNBRJACJ-LLVKDONJSA-N 2 2 291.342 0.163 20 0 CCADLP C[N@@H+](CC(F)F)C1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000844188852 643176297 /nfs/dbraw/zinc/17/62/97/643176297.db2.gz ZDKWIZVNBRJACJ-LLVKDONJSA-N 2 2 291.342 0.163 20 0 CCADLP C[C@H]1CN(C(=O)C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)CCO1 ZINC000846834504 643462584 /nfs/dbraw/zinc/46/25/84/643462584.db2.gz BXPBVBNEFSTQNM-STQMWFEESA-N 2 2 292.383 0.457 20 0 CCADLP C[C@H]1CN(C(=O)C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)CCO1 ZINC000846834504 643462589 /nfs/dbraw/zinc/46/25/89/643462589.db2.gz BXPBVBNEFSTQNM-STQMWFEESA-N 2 2 292.383 0.457 20 0 CCADLP [NH3+]C[C@H]1CC(C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)=NO1 ZINC000852863328 644030315 /nfs/dbraw/zinc/03/03/15/644030315.db2.gz MLVKQCZXNWFGHR-SNVBAGLBSA-N 2 2 277.328 0.219 20 0 CCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCC(=O)C1 ZINC000855345549 644308196 /nfs/dbraw/zinc/30/81/96/644308196.db2.gz TWLOEJFNRGNSTE-STQMWFEESA-N 2 2 283.416 0.744 20 0 CCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCC(=O)C1 ZINC000855345549 644308202 /nfs/dbraw/zinc/30/82/02/644308202.db2.gz TWLOEJFNRGNSTE-STQMWFEESA-N 2 2 283.416 0.744 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)N3CC[C@H]([NH2+]CCO)C3)ccn12 ZINC001018849496 650915560 /nfs/dbraw/zinc/91/55/60/650915560.db2.gz XRGATOXVLBCSMN-ZDUSSCGKSA-N 2 2 288.351 0.439 20 0 CCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cnon3)C2)CC[N@@H+]1C ZINC001018867998 650917177 /nfs/dbraw/zinc/91/71/77/650917177.db2.gz YNBIQICVXCUFHB-NTZNESFSSA-N 2 2 293.371 0.100 20 0 CCADLP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cnon3)C2)CC[N@H+]1C ZINC001018867998 650917181 /nfs/dbraw/zinc/91/71/81/650917181.db2.gz YNBIQICVXCUFHB-NTZNESFSSA-N 2 2 293.371 0.100 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001018949776 650923499 /nfs/dbraw/zinc/92/34/99/650923499.db2.gz NKIUNPXUCGDXJM-OCCSQVGLSA-N 2 2 292.383 0.569 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001018949776 650923501 /nfs/dbraw/zinc/92/35/01/650923501.db2.gz NKIUNPXUCGDXJM-OCCSQVGLSA-N 2 2 292.383 0.569 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001019060934 650934739 /nfs/dbraw/zinc/93/47/39/650934739.db2.gz LMOFLDGOYUWGLZ-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccoc1 ZINC000858224720 644599996 /nfs/dbraw/zinc/59/99/96/644599996.db2.gz PQCSOTYMRVFPHB-LBPRGKRZSA-N 2 2 251.330 0.709 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccoc1 ZINC000858224720 644599999 /nfs/dbraw/zinc/59/99/99/644599999.db2.gz PQCSOTYMRVFPHB-LBPRGKRZSA-N 2 2 251.330 0.709 20 0 CCADLP CC(C)[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001019214203 650948367 /nfs/dbraw/zinc/94/83/67/650948367.db2.gz PMWKCOITAZIMTD-LBPRGKRZSA-N 2 2 250.346 0.872 20 0 CCADLP O[C@H](C[NH2+][C@H]1COc2ccccc2[C@@H]1O)C[NH+]1CCCC1 ZINC000863564419 645108133 /nfs/dbraw/zinc/10/81/33/645108133.db2.gz WXNFTIHOUSSJJY-INWMFGNUSA-N 2 2 292.379 0.527 20 0 CCADLP O=C(/C=C\C[NH+]1CCOCC1)NCC[NH+]1CCCCC1 ZINC000864878686 645298309 /nfs/dbraw/zinc/29/83/09/645298309.db2.gz AGBJKINLQMZNCK-PLNGDYQASA-N 2 2 281.400 0.477 20 0 CCADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000864905298 645302087 /nfs/dbraw/zinc/30/20/87/645302087.db2.gz BJNITSLADPZJMC-JYIXZZHJSA-N 2 2 293.411 0.618 20 0 CCADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000864905298 645302092 /nfs/dbraw/zinc/30/20/92/645302092.db2.gz BJNITSLADPZJMC-JYIXZZHJSA-N 2 2 293.411 0.618 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001019833633 651009715 /nfs/dbraw/zinc/00/97/15/651009715.db2.gz NWCKKAGBBXFAJG-UONOGXRCSA-N 2 2 276.384 0.895 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]([NH2+]Cc2cccnc2)C1 ZINC001019868440 651012119 /nfs/dbraw/zinc/01/21/19/651012119.db2.gz DYWJSKMSNQSSJB-AWEZNQCLSA-N 2 2 285.351 0.669 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000868280555 645742598 /nfs/dbraw/zinc/74/25/98/645742598.db2.gz BDRHKBDIXPEAQS-WZRBSPASSA-N 2 2 278.356 0.528 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000868280553 645743341 /nfs/dbraw/zinc/74/33/41/645743341.db2.gz BDRHKBDIXPEAQS-NQBHXWOUSA-N 2 2 278.356 0.528 20 0 CCADLP O=C(CC[NH2+]CC1CC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000870897011 646040875 /nfs/dbraw/zinc/04/08/75/646040875.db2.gz YFHNIDIGRAADTO-OAHLLOKOSA-N 2 2 295.427 0.699 20 0 CCADLP C[C@@H](O)[C@@H]1CCN(c2cc(N[C@@H](C)C[NH3+])nc[nH+]2)C1 ZINC000872774428 646321762 /nfs/dbraw/zinc/32/17/62/646321762.db2.gz JUNUGJLTMIEMTC-HBNTYKKESA-N 2 2 265.361 0.443 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000873251456 646365880 /nfs/dbraw/zinc/36/58/80/646365880.db2.gz KPPRJVNRBYPNNE-ILXRZTDVSA-N 2 2 298.427 0.929 20 0 CCADLP C[C@H](CNC(=O)N[C@H]1Cc2c[nH+]cn2C1)[NH+]1CCCCC1 ZINC000875130007 646510812 /nfs/dbraw/zinc/51/08/12/646510812.db2.gz CKYXGSJMKVSXBZ-OLZOCXBDSA-N 2 2 291.399 0.981 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)Cn1cc[nH+]c1 ZINC000876731525 646651581 /nfs/dbraw/zinc/65/15/81/646651581.db2.gz RWIYRLAOULHDJT-UTLUCORTSA-N 2 2 272.299 0.475 20 0 CCADLP C[C@H](CNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1)Cn1cc[nH+]c1 ZINC000876730600 646651835 /nfs/dbraw/zinc/65/18/35/646651835.db2.gz HRVZUBPUHLGUST-WOPDTQHZSA-N 2 2 268.336 0.583 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000876853208 646682293 /nfs/dbraw/zinc/68/22/93/646682293.db2.gz JQTSBRMQIAVUQI-VIFPVBQESA-N 2 2 273.283 0.726 20 0 CCADLP O=C(/C=C/C[NH+]1CCOCC1)N[C@H]1CC12CC[NH2+]CC2 ZINC000876856771 646683168 /nfs/dbraw/zinc/68/31/68/646683168.db2.gz TZESNVSZICSACM-AORQRIRUSA-N 2 2 279.384 0.133 20 0 CCADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000876935456 646701081 /nfs/dbraw/zinc/70/10/81/646701081.db2.gz QLXORCRHBIEWDR-NPPUXFBVSA-N 2 2 293.411 0.666 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+](C)[C@H]1CCCCNC1=O ZINC000878053467 646864942 /nfs/dbraw/zinc/86/49/42/646864942.db2.gz ZFWYAPUWIJDSBU-LBPRGKRZSA-N 2 2 250.346 0.563 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+](C)[C@H]1CCCCNC1=O ZINC000878053467 646864944 /nfs/dbraw/zinc/86/49/44/646864944.db2.gz ZFWYAPUWIJDSBU-LBPRGKRZSA-N 2 2 250.346 0.563 20 0 CCADLP CS(=O)(=O)CC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878744060 646972462 /nfs/dbraw/zinc/97/24/62/646972462.db2.gz GJIWFOFLFHDHTN-UHFFFAOYSA-N 2 2 283.397 0.638 20 0 CCADLP CS(=O)(=O)CC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878744060 646972466 /nfs/dbraw/zinc/97/24/66/646972466.db2.gz GJIWFOFLFHDHTN-UHFFFAOYSA-N 2 2 283.397 0.638 20 0 CCADLP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCc4ncnn43)CC[C@H]21 ZINC000879578849 647077896 /nfs/dbraw/zinc/07/78/96/647077896.db2.gz HOZVTPXMNBTLGH-FRRDWIJNSA-N 2 2 261.373 0.791 20 0 CCADLP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCc4ncnn43)CC[C@H]21 ZINC000879578849 647077898 /nfs/dbraw/zinc/07/78/98/647077898.db2.gz HOZVTPXMNBTLGH-FRRDWIJNSA-N 2 2 261.373 0.791 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)CC[C@H]21 ZINC000879578849 647077900 /nfs/dbraw/zinc/07/79/00/647077900.db2.gz HOZVTPXMNBTLGH-FRRDWIJNSA-N 2 2 261.373 0.791 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCc4ncnn43)CC[C@H]21 ZINC000879578849 647077903 /nfs/dbraw/zinc/07/79/03/647077903.db2.gz HOZVTPXMNBTLGH-FRRDWIJNSA-N 2 2 261.373 0.791 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCC2(CC1)COCCO2 ZINC000880547633 647228545 /nfs/dbraw/zinc/22/85/45/647228545.db2.gz SLWRMBUGTMSYHX-UHFFFAOYSA-N 2 2 265.357 0.844 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H]2CCC3(CCOCC3)O2)C[C@H]1[NH3+] ZINC000883430178 647524834 /nfs/dbraw/zinc/52/48/34/647524834.db2.gz OQMCXZHBNAMMBQ-JHJVBQTASA-N 2 2 254.374 0.994 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H]2CCC3(CCOCC3)O2)C[C@H]1[NH3+] ZINC000883430178 647524840 /nfs/dbraw/zinc/52/48/40/647524840.db2.gz OQMCXZHBNAMMBQ-JHJVBQTASA-N 2 2 254.374 0.994 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCC2([NH3+])CCOCC2)c[nH+]1 ZINC000884432993 647735289 /nfs/dbraw/zinc/73/52/89/647735289.db2.gz XFPRMURLRHZNBV-UHFFFAOYSA-N 2 2 280.372 0.551 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N(C)CCOCC[NH3+])c[nH+]1 ZINC000884438890 647737774 /nfs/dbraw/zinc/73/77/74/647737774.db2.gz NTTFLUQJGJTSDQ-UHFFFAOYSA-N 2 2 268.361 0.360 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885866217 647881160 /nfs/dbraw/zinc/88/11/60/647881160.db2.gz UHGHWYSWHUHCJX-CQSZACIVSA-N 2 2 292.383 0.643 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000885866217 647881162 /nfs/dbraw/zinc/88/11/62/647881162.db2.gz UHGHWYSWHUHCJX-CQSZACIVSA-N 2 2 292.383 0.643 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)c2ncnn21 ZINC000924944727 648390176 /nfs/dbraw/zinc/39/01/76/648390176.db2.gz CKHIKIXIEWCPCP-NEPJUHHUSA-N 2 2 292.387 0.038 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NC[C@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1C ZINC000925339176 648419681 /nfs/dbraw/zinc/41/96/81/648419681.db2.gz SHZYKHCCBNTDQS-AGIUHOORSA-N 2 2 291.399 0.837 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NC[C@H]2CCn3cc[nH+]c3C2)CC[N@H+]1C ZINC000925339176 648419683 /nfs/dbraw/zinc/41/96/83/648419683.db2.gz SHZYKHCCBNTDQS-AGIUHOORSA-N 2 2 291.399 0.837 20 0 CCADLP C[C@H]1[C@H](NC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)CC[N@@H+]1C ZINC000925338764 648419790 /nfs/dbraw/zinc/41/97/90/648419790.db2.gz DMESIBDZINHJEJ-IGQOVBAYSA-N 2 2 296.415 0.241 20 0 CCADLP C[C@H]1[C@H](NC(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)CC[N@H+]1C ZINC000925338764 648419793 /nfs/dbraw/zinc/41/97/93/648419793.db2.gz DMESIBDZINHJEJ-IGQOVBAYSA-N 2 2 296.415 0.241 20 0 CCADLP C[C@H]1[C@H](NC(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH+]1C ZINC000925338764 648419798 /nfs/dbraw/zinc/41/97/98/648419798.db2.gz DMESIBDZINHJEJ-IGQOVBAYSA-N 2 2 296.415 0.241 20 0 CCADLP C[C@H]1[C@H](NC(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH+]1C ZINC000925338764 648419803 /nfs/dbraw/zinc/41/98/03/648419803.db2.gz DMESIBDZINHJEJ-IGQOVBAYSA-N 2 2 296.415 0.241 20 0 CCADLP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000925409436 648429925 /nfs/dbraw/zinc/42/99/25/648429925.db2.gz OJWNHBMEDSHHFM-ZDUSSCGKSA-N 2 2 279.388 0.927 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2CC[N@@H+]2C)[C@H](C)CO1 ZINC000925434400 648434647 /nfs/dbraw/zinc/43/46/47/648434647.db2.gz JKPSLZPRKPBMBV-UPJWGTAASA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@@H]2CC[NH+]2C)[C@H](C)CO1 ZINC000925434400 648434641 /nfs/dbraw/zinc/43/46/41/648434641.db2.gz JKPSLZPRKPBMBV-UPJWGTAASA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H]2CC[NH+]2C)[C@H](C)CO1 ZINC000925434400 648434644 /nfs/dbraw/zinc/43/46/44/648434644.db2.gz JKPSLZPRKPBMBV-UPJWGTAASA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2CC[N@H+]2C)[C@H](C)CO1 ZINC000925434400 648434651 /nfs/dbraw/zinc/43/46/51/648434651.db2.gz JKPSLZPRKPBMBV-UPJWGTAASA-N 2 2 284.404 0.099 20 0 CCADLP Cc1ccc(NCCNC(=O)NC[C@@H]2CC[N@H+]2C)[nH+]c1 ZINC000925438257 648435517 /nfs/dbraw/zinc/43/55/17/648435517.db2.gz JZRPYODTZQQPFG-LBPRGKRZSA-N 2 2 277.372 0.805 20 0 CCADLP Cc1ccc(NCCNC(=O)NC[C@@H]2CC[N@@H+]2C)[nH+]c1 ZINC000925438257 648435521 /nfs/dbraw/zinc/43/55/21/648435521.db2.gz JZRPYODTZQQPFG-LBPRGKRZSA-N 2 2 277.372 0.805 20 0 CCADLP Cc1cc(N2CCC([NH2+][C@@H]3C[NH2+]CCOC3)CC2)n[nH]1 ZINC000925644068 648450153 /nfs/dbraw/zinc/45/01/53/648450153.db2.gz IKIMYHVKGFSOSH-CYBMUJFWSA-N 2 2 279.388 0.265 20 0 CCADLP C[C@H]([NH3+])[C@@H]([NH2+]C[C@H]1COCCN1C)c1ccccc1 ZINC000925720515 648456609 /nfs/dbraw/zinc/45/66/09/648456609.db2.gz YJTBZJMMDNNXIG-AEGPPILISA-N 2 2 263.385 0.995 20 0 CCADLP O=C(NCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccn[nH]1 ZINC000926117717 648487287 /nfs/dbraw/zinc/48/72/87/648487287.db2.gz UUWMWVWHGBEQJQ-OCCSQVGLSA-N 2 2 291.399 0.746 20 0 CCADLP O=C(NCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccn[nH]1 ZINC000926117717 648487289 /nfs/dbraw/zinc/48/72/89/648487289.db2.gz UUWMWVWHGBEQJQ-OCCSQVGLSA-N 2 2 291.399 0.746 20 0 CCADLP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000926749995 648524538 /nfs/dbraw/zinc/52/45/38/648524538.db2.gz OKNRYFQNXFRKEZ-RFQIPJPRSA-N 2 2 283.416 0.587 20 0 CCADLP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000926749995 648524543 /nfs/dbraw/zinc/52/45/43/648524543.db2.gz OKNRYFQNXFRKEZ-RFQIPJPRSA-N 2 2 283.416 0.587 20 0 CCADLP O[C@H]1CCN(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000926773796 648526225 /nfs/dbraw/zinc/52/62/25/648526225.db2.gz FCTYBUKGEOBYND-RRFJBIMHSA-N 2 2 267.417 0.660 20 0 CCADLP O[C@H]1CCN(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000926773796 648526229 /nfs/dbraw/zinc/52/62/29/648526229.db2.gz FCTYBUKGEOBYND-RRFJBIMHSA-N 2 2 267.417 0.660 20 0 CCADLP C[C@H](C(=O)N(C)C)[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931304037 648976793 /nfs/dbraw/zinc/97/67/93/648976793.db2.gz KBKPIXRRTVNYFO-MRVWCRGKSA-N 2 2 253.390 0.737 20 0 CCADLP Nc1cc[nH+]c2c1C[N@H+](C[C@H](O)C1(O)CCCC1)CC2 ZINC000931516240 648999254 /nfs/dbraw/zinc/99/92/54/648999254.db2.gz JVGIBHLHRYYYRW-AWEZNQCLSA-N 2 2 277.368 0.688 20 0 CCADLP Nc1cc[nH+]c2c1C[N@@H+](C[C@H](O)C1(O)CCCC1)CC2 ZINC000931516240 648999255 /nfs/dbraw/zinc/99/92/55/648999255.db2.gz JVGIBHLHRYYYRW-AWEZNQCLSA-N 2 2 277.368 0.688 20 0 CCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H](O)Cn1cccn1 ZINC000931726050 649023020 /nfs/dbraw/zinc/02/30/20/649023020.db2.gz JDDIQJBVBRHRPF-BFHYXJOUSA-N 2 2 264.373 0.413 20 0 CCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H](O)Cn1cccn1 ZINC000931726050 649023021 /nfs/dbraw/zinc/02/30/21/649023021.db2.gz JDDIQJBVBRHRPF-BFHYXJOUSA-N 2 2 264.373 0.413 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@H](O)Cn1cccn1 ZINC000931726050 649023024 /nfs/dbraw/zinc/02/30/24/649023024.db2.gz JDDIQJBVBRHRPF-BFHYXJOUSA-N 2 2 264.373 0.413 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@H](O)Cn1cccn1 ZINC000931726050 649023026 /nfs/dbraw/zinc/02/30/26/649023026.db2.gz JDDIQJBVBRHRPF-BFHYXJOUSA-N 2 2 264.373 0.413 20 0 CCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H](O)COC[C@@H]1CCCO1 ZINC000931728124 649023151 /nfs/dbraw/zinc/02/31/51/649023151.db2.gz NEDDHGLUSMPNKC-FZKCQIBNSA-N 2 2 298.427 0.711 20 0 CCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@H](O)COC[C@@H]1CCCO1 ZINC000931728124 649023156 /nfs/dbraw/zinc/02/31/56/649023156.db2.gz NEDDHGLUSMPNKC-FZKCQIBNSA-N 2 2 298.427 0.711 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@H](O)COC[C@@H]1CCCO1 ZINC000931728124 649023158 /nfs/dbraw/zinc/02/31/58/649023158.db2.gz NEDDHGLUSMPNKC-FZKCQIBNSA-N 2 2 298.427 0.711 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@H](O)COC[C@@H]1CCCO1 ZINC000931728124 649023161 /nfs/dbraw/zinc/02/31/61/649023161.db2.gz NEDDHGLUSMPNKC-FZKCQIBNSA-N 2 2 298.427 0.711 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933745226 649141355 /nfs/dbraw/zinc/14/13/55/649141355.db2.gz MHRIEAMJLSIPRR-COPLHBTASA-N 2 2 251.374 0.537 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933745226 649141357 /nfs/dbraw/zinc/14/13/57/649141357.db2.gz MHRIEAMJLSIPRR-COPLHBTASA-N 2 2 251.374 0.537 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933745226 649141359 /nfs/dbraw/zinc/14/13/59/649141359.db2.gz MHRIEAMJLSIPRR-COPLHBTASA-N 2 2 251.374 0.537 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933745226 649141360 /nfs/dbraw/zinc/14/13/60/649141360.db2.gz MHRIEAMJLSIPRR-COPLHBTASA-N 2 2 251.374 0.537 20 0 CCADLP C[C@](Cn1cccn1)([NH2+]CCC[NH+]1CCCCC1)C(N)=O ZINC000934220457 649161994 /nfs/dbraw/zinc/16/19/94/649161994.db2.gz CMAXPGFQNUNYCM-OAHLLOKOSA-N 2 2 293.415 0.593 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(S(N)(=O)=O)c2)CC[N@@H+]1C ZINC000156019378 649294125 /nfs/dbraw/zinc/29/41/25/649294125.db2.gz WPWNOTYNGSMJFV-AAEUAGOBSA-N 2 2 297.424 0.906 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(S(N)(=O)=O)c2)CC[N@H+]1C ZINC000156019378 649294128 /nfs/dbraw/zinc/29/41/28/649294128.db2.gz WPWNOTYNGSMJFV-AAEUAGOBSA-N 2 2 297.424 0.906 20 0 CCADLP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@H]2CCC=CO2)CC1 ZINC000191074508 649466733 /nfs/dbraw/zinc/46/67/33/649466733.db2.gz UTHYHHCOPJJLEL-OAHLLOKOSA-N 2 2 293.411 0.919 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[NH+](CCC2CC2)CC1 ZINC000957331023 649745229 /nfs/dbraw/zinc/74/52/29/649745229.db2.gz UKHSEOPAIRQHDW-UHFFFAOYSA-N 2 2 276.384 0.907 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000957900406 649768710 /nfs/dbraw/zinc/76/87/10/649768710.db2.gz VOTDTJRKTUFHPW-CQSZACIVSA-N 2 2 292.383 0.454 20 0 CCADLP Cc1cc(N2CCN3CC[NH2+]C[C@@H]3C2)nc(C2CC2)[nH+]1 ZINC001164405899 718841287 /nfs/dbraw/zinc/84/12/87/718841287.db2.gz QQRGSYOPCPTMIW-CYBMUJFWSA-N 2 2 273.384 0.756 20 0 CCADLP CN(C)c1cc(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)nc[nH+]1 ZINC001164671277 719369903 /nfs/dbraw/zinc/36/99/03/719369903.db2.gz VVMYYHFZENECMV-GHMZBOCLSA-N 2 2 263.345 0.062 20 0 CCADLP CN(C)c1cc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)nc[nH+]1 ZINC001164671277 719369905 /nfs/dbraw/zinc/36/99/05/719369905.db2.gz VVMYYHFZENECMV-GHMZBOCLSA-N 2 2 263.345 0.062 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](Cc2cnccn2)CCC1=O ZINC001209787350 790683874 /nfs/dbraw/zinc/68/38/74/790683874.db2.gz UUIVBEAORCDXCS-UHFFFAOYSA-N 2 2 277.372 0.073 20 0 CCADLP Cc1nc(N2C[C@H]3COC[C@@H](C2)C3[NH3+])c(C)c(C)[nH+]1 ZINC001167187205 790686522 /nfs/dbraw/zinc/68/65/22/790686522.db2.gz ZTCXFCAVZCCFMU-FUNVUKJBSA-N 2 2 262.357 0.812 20 0 CCADLP C[C@H](O)CCC[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209835498 790696789 /nfs/dbraw/zinc/69/67/89/790696789.db2.gz CENRALRRHXSUKL-STQMWFEESA-N 2 2 294.399 0.694 20 0 CCADLP COCCC[NH2+]CC1(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001167331484 790905276 /nfs/dbraw/zinc/90/52/76/790905276.db2.gz NAHRFCYLOHFHKD-UHFFFAOYSA-N 2 2 294.399 0.865 20 0 CCADLP CO[C@H](C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1)C1CCC1 ZINC001167346568 790934969 /nfs/dbraw/zinc/93/49/69/790934969.db2.gz PBBFVZHGKIMJOJ-CQSZACIVSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@@H](O)C[NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001167427926 791062070 /nfs/dbraw/zinc/06/20/70/791062070.db2.gz CZEVAHFYILIOPR-NWDGAFQWSA-N 2 2 268.361 0.311 20 0 CCADLP C[NH+](C)CCN1CCC2(C[NH+](CC(=O)N3CCCC3)C2)C1 ZINC001277518118 805802939 /nfs/dbraw/zinc/80/29/39/805802939.db2.gz PJZOPRJFIHGIBT-UHFFFAOYSA-N 2 2 294.443 0.178 20 0 CCADLP c1cn(CC[N@H+]2C[C@H]3C[C@@H](C2)N3C[C@@H]2COCCO2)c[nH+]1 ZINC001277527268 805814232 /nfs/dbraw/zinc/81/42/32/805814232.db2.gz XZCRNYWMYGQWBI-QLFBSQMISA-N 2 2 292.383 0.057 20 0 CCADLP c1cn(CC[N@@H+]2C[C@H]3C[C@@H](C2)N3C[C@@H]2COCCO2)c[nH+]1 ZINC001277527268 805814242 /nfs/dbraw/zinc/81/42/42/805814242.db2.gz XZCRNYWMYGQWBI-QLFBSQMISA-N 2 2 292.383 0.057 20 0 CCADLP CCS(=O)(=O)CC[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001277631129 805908136 /nfs/dbraw/zinc/90/81/36/805908136.db2.gz FCBZHAMLDHKZDA-UHFFFAOYSA-N 2 2 260.403 0.449 20 0 CCADLP Cc1cc[nH+]c(N2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)c1 ZINC001277679351 805956926 /nfs/dbraw/zinc/95/69/26/805956926.db2.gz BNGYBMAAUAPKCY-GASCZTMLSA-N 2 2 290.411 0.841 20 0 CCADLP C[C@]12C[NH2+]C[C@H]1CN(C(=O)N[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC000891819180 791332709 /nfs/dbraw/zinc/33/27/09/791332709.db2.gz NYIZIXYJBXJPTA-YWPYICTPSA-N 2 2 289.383 0.449 20 0 CCADLP [NH3+]CCNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000891977689 791449302 /nfs/dbraw/zinc/44/93/02/791449302.db2.gz ODAWFURSTCOOCK-ZDUSSCGKSA-N 2 2 273.340 0.882 20 0 CCADLP CCOCCC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001267072938 791504399 /nfs/dbraw/zinc/50/43/99/791504399.db2.gz LONWELASQHWXPY-CQSZACIVSA-N 2 2 294.399 0.748 20 0 CCADLP CC(C)=CC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001038139372 791532511 /nfs/dbraw/zinc/53/25/11/791532511.db2.gz BSLBTLLKRWDOAY-UONOGXRCSA-N 2 2 281.400 0.474 20 0 CCADLP CC(C)=CC[NH+]1CC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001038139372 791532516 /nfs/dbraw/zinc/53/25/16/791532516.db2.gz BSLBTLLKRWDOAY-UONOGXRCSA-N 2 2 281.400 0.474 20 0 CCADLP CC(C)=CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001038139372 791532525 /nfs/dbraw/zinc/53/25/25/791532525.db2.gz BSLBTLLKRWDOAY-UONOGXRCSA-N 2 2 281.400 0.474 20 0 CCADLP CC(C)=CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001038139372 791532533 /nfs/dbraw/zinc/53/25/33/791532533.db2.gz BSLBTLLKRWDOAY-UONOGXRCSA-N 2 2 281.400 0.474 20 0 CCADLP C[C@@H]1CCC[N@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)[C@@H]1C[NH3+] ZINC000724568856 791595203 /nfs/dbraw/zinc/59/52/03/791595203.db2.gz LAUMBOQHUGXUDJ-RGDJUOJXSA-N 2 2 254.374 0.850 20 0 CCADLP C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@H]3COC[C@@H]3O2)[C@@H]1C[NH3+] ZINC000724568856 791595210 /nfs/dbraw/zinc/59/52/10/791595210.db2.gz LAUMBOQHUGXUDJ-RGDJUOJXSA-N 2 2 254.374 0.850 20 0 CCADLP C[C@H]1c2nc(C(N)=O)cn2CC[N@H+]1CC1CC[NH2+]CC1 ZINC001277822143 806161228 /nfs/dbraw/zinc/16/12/28/806161228.db2.gz QTXUQFQTNFQECO-JTQLQIEISA-N 2 2 277.372 0.358 20 0 CCADLP C[C@H]1c2nc(C(N)=O)cn2CC[N@@H+]1CC1CC[NH2+]CC1 ZINC001277822143 806161236 /nfs/dbraw/zinc/16/12/36/806161236.db2.gz QTXUQFQTNFQECO-JTQLQIEISA-N 2 2 277.372 0.358 20 0 CCADLP CC[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)[C@H](C)COC ZINC001267253863 793249919 /nfs/dbraw/zinc/24/99/19/793249919.db2.gz TVDPPZFUJWRRRY-LLVKDONJSA-N 2 2 268.361 0.425 20 0 CCADLP CC[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)[C@H](C)COC ZINC001267253863 793249928 /nfs/dbraw/zinc/24/99/28/793249928.db2.gz TVDPPZFUJWRRRY-LLVKDONJSA-N 2 2 268.361 0.425 20 0 CCADLP Oc1cc(F)c(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c(F)c1 ZINC001234987079 806330439 /nfs/dbraw/zinc/33/04/39/806330439.db2.gz GAQXPOZOGFDFAU-CQSZACIVSA-N 2 2 283.322 0.808 20 0 CCADLP c1cn(CCN2CCO[C@H]3C[N@@H+](C4CC4)C[C@H]32)c[nH+]1 ZINC001277923581 806372961 /nfs/dbraw/zinc/37/29/61/806372961.db2.gz CCQFTSHFAUPMJA-KGLIPLIRSA-N 2 2 262.357 0.431 20 0 CCADLP c1cn(CCN2CCO[C@H]3C[N@H+](C4CC4)C[C@H]32)c[nH+]1 ZINC001277923581 806372970 /nfs/dbraw/zinc/37/29/70/806372970.db2.gz CCQFTSHFAUPMJA-KGLIPLIRSA-N 2 2 262.357 0.431 20 0 CCADLP C[C@@H]([NH3+])C[N@H+]1C[C@@H]2[C@H](CC(=O)NCc3ccco3)[C@@H]2C1 ZINC001235606848 806471066 /nfs/dbraw/zinc/47/10/66/806471066.db2.gz IPIIIHKBPXZVGW-RUZUBIRVSA-N 2 2 277.368 0.811 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+]1C[C@@H]2[C@H](CC(=O)NCc3ccco3)[C@@H]2C1 ZINC001235606848 806471068 /nfs/dbraw/zinc/47/10/68/806471068.db2.gz IPIIIHKBPXZVGW-RUZUBIRVSA-N 2 2 277.368 0.811 20 0 CCADLP [NH3+]CC[N@@H+]1CC[C@@]2(C[C@@H]2C(=O)NCc2cccnc2)C1 ZINC001235610597 806472423 /nfs/dbraw/zinc/47/24/23/806472423.db2.gz CJZATRHNJSXBTF-UKRRQHHQSA-N 2 2 274.368 0.369 20 0 CCADLP [NH3+]CC[N@H+]1CC[C@@]2(C[C@@H]2C(=O)NCc2cccnc2)C1 ZINC001235610597 806472428 /nfs/dbraw/zinc/47/24/28/806472428.db2.gz CJZATRHNJSXBTF-UKRRQHHQSA-N 2 2 274.368 0.369 20 0 CCADLP Cc1nc(C[N@@H+]2CCO[C@@H]3CN(CC[NH3+])C[C@@H]3C2)cs1 ZINC001235619141 806475492 /nfs/dbraw/zinc/47/54/92/806475492.db2.gz VMLCDQHVKHNVTA-TZMCWYRMSA-N 2 2 296.440 0.543 20 0 CCADLP Cc1nc(C[N@H+]2CCO[C@@H]3CN(CC[NH3+])C[C@@H]3C2)cs1 ZINC001235619141 806475496 /nfs/dbraw/zinc/47/54/96/806475496.db2.gz VMLCDQHVKHNVTA-TZMCWYRMSA-N 2 2 296.440 0.543 20 0 CCADLP C[C@@H]([NH3+])CN1CCc2nnc(C[NH+]3CCCCC3)n2CC1 ZINC001235634872 806478905 /nfs/dbraw/zinc/47/89/05/806478905.db2.gz FLBXEALGJSPXCF-CYBMUJFWSA-N 2 2 292.431 0.469 20 0 CCADLP C[C@H](O)C[N@@H+]1CCCC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001277961321 806490576 /nfs/dbraw/zinc/49/05/76/806490576.db2.gz WNOXLCUAFZHORE-AWEZNQCLSA-N 2 2 278.400 0.662 20 0 CCADLP C[C@H](O)C[N@H+]1CCCC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001277961321 806490580 /nfs/dbraw/zinc/49/05/80/806490580.db2.gz WNOXLCUAFZHORE-AWEZNQCLSA-N 2 2 278.400 0.662 20 0 CCADLP CC(C)(CO)C[NH+]1CC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001277967830 806502264 /nfs/dbraw/zinc/50/22/64/806502264.db2.gz HHZSHJMKRAGLLX-UHFFFAOYSA-N 2 2 278.400 0.519 20 0 CCADLP COC(=O)[C@H]1C[C@@H]([NH3+])C[N@H+](CC2CC3(C2)CC[NH2+]CC3)C1 ZINC001235769877 806501952 /nfs/dbraw/zinc/50/19/52/806501952.db2.gz ICMQEOVWOPJGCI-UONOGXRCSA-N 3 2 295.427 0.588 20 0 CCADLP COC(=O)[C@H]1C[C@@H]([NH3+])C[N@@H+](CC2CC3(C2)CC[NH2+]CC3)C1 ZINC001235769877 806501964 /nfs/dbraw/zinc/50/19/64/806501964.db2.gz ICMQEOVWOPJGCI-UONOGXRCSA-N 3 2 295.427 0.588 20 0 CCADLP COC(=O)[C@@]1(C)CCC[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001235887097 806513988 /nfs/dbraw/zinc/51/39/88/806513988.db2.gz HBNNXXTVDFVUHX-FZMZJTMJSA-N 2 2 270.373 0.986 20 0 CCADLP COC(=O)[C@@]1(C)CCC[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001235887097 806513994 /nfs/dbraw/zinc/51/39/94/806513994.db2.gz HBNNXXTVDFVUHX-FZMZJTMJSA-N 2 2 270.373 0.986 20 0 CCADLP CC[N@H+](CCn1cccn1)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235949864 806518843 /nfs/dbraw/zinc/51/88/43/806518843.db2.gz VRHKETGAGXQJDL-LBPRGKRZSA-N 2 2 252.362 0.930 20 0 CCADLP CC[N@@H+](CCn1cccn1)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235949864 806518850 /nfs/dbraw/zinc/51/88/50/806518850.db2.gz VRHKETGAGXQJDL-LBPRGKRZSA-N 2 2 252.362 0.930 20 0 CCADLP CC(C)(CN1C[C@H]2CC[C@]2([NH3+])C1)[NH+]1CCOCC1 ZINC001235977838 806521411 /nfs/dbraw/zinc/52/14/11/806521411.db2.gz IBNFVAQGNZSIMY-OCCSQVGLSA-N 2 2 253.390 0.520 20 0 CCADLP CC(C)(C[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1)N1CCOCC1 ZINC001235977838 806521417 /nfs/dbraw/zinc/52/14/17/806521417.db2.gz IBNFVAQGNZSIMY-OCCSQVGLSA-N 2 2 253.390 0.520 20 0 CCADLP CC(C)(C[N@H+]1C[C@H]2CC[C@]2([NH3+])C1)N1CCOCC1 ZINC001235977838 806521422 /nfs/dbraw/zinc/52/14/22/806521422.db2.gz IBNFVAQGNZSIMY-OCCSQVGLSA-N 2 2 253.390 0.520 20 0 CCADLP C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235979972 806523107 /nfs/dbraw/zinc/52/31/07/806523107.db2.gz PCUYAMWKKJEGCC-MMPTUQATSA-N 2 2 289.379 0.529 20 0 CCADLP C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235979972 806523113 /nfs/dbraw/zinc/52/31/13/806523113.db2.gz PCUYAMWKKJEGCC-MMPTUQATSA-N 2 2 289.379 0.529 20 0 CCADLP COC(=O)c1ccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])nc1 ZINC001235996299 806525724 /nfs/dbraw/zinc/52/57/24/806525724.db2.gz ZXJLLXBBBFAMAW-ONXXMXGDSA-N 2 2 291.351 0.274 20 0 CCADLP COC(=O)c1ccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])nc1 ZINC001235996299 806525728 /nfs/dbraw/zinc/52/57/28/806525728.db2.gz ZXJLLXBBBFAMAW-ONXXMXGDSA-N 2 2 291.351 0.274 20 0 CCADLP Cc1ncc(F)cc1C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001236000577 806527143 /nfs/dbraw/zinc/52/71/43/806527143.db2.gz XVXQAEQMPLCKSV-ONXXMXGDSA-N 2 2 265.332 0.935 20 0 CCADLP Cc1ncc(F)cc1C[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001236000577 806527151 /nfs/dbraw/zinc/52/71/51/806527151.db2.gz XVXQAEQMPLCKSV-ONXXMXGDSA-N 2 2 265.332 0.935 20 0 CCADLP CCCCc1[nH]c(CN2C[C@H]([NH3+])C[C@H]2C(=O)OC)c[nH+]1 ZINC001236197567 806549617 /nfs/dbraw/zinc/54/96/17/806549617.db2.gz JRFXNLZZKQOCPI-PWSUYJOCSA-N 2 2 280.372 0.827 20 0 CCADLP CCCCc1[nH]cc(CN2C[C@H]([NH3+])C[C@H]2C(=O)OC)[nH+]1 ZINC001236197567 806549628 /nfs/dbraw/zinc/54/96/28/806549628.db2.gz JRFXNLZZKQOCPI-PWSUYJOCSA-N 2 2 280.372 0.827 20 0 CCADLP [NH3+]C1(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC001120663795 798908218 /nfs/dbraw/zinc/90/82/18/798908218.db2.gz BXAJPYGROQECPB-JTQLQIEISA-N 2 2 263.345 0.790 20 0 CCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[C@@H]1[NH3+] ZINC001121896142 799087222 /nfs/dbraw/zinc/08/72/22/799087222.db2.gz GKFYZHPIPWJTFL-ZJUUUORDSA-N 2 2 250.346 0.883 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(C)CC[NH2+]CC1 ZINC001121937811 799100688 /nfs/dbraw/zinc/10/06/88/799100688.db2.gz PEDUDTQBRBZJRZ-GHMZBOCLSA-N 2 2 262.357 0.782 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)C[C@@H]([NH3+])C(F)F ZINC001121990954 799114744 /nfs/dbraw/zinc/11/47/44/799114744.db2.gz JEMCLQHZTFIRAD-SECBINFHSA-N 2 2 267.320 0.053 20 0 CCADLP COCC[N@@H+](C)CCCNC(=O)C[C@@H]([NH3+])C(F)F ZINC001121990954 799114748 /nfs/dbraw/zinc/11/47/48/799114748.db2.gz JEMCLQHZTFIRAD-SECBINFHSA-N 2 2 267.320 0.053 20 0 CCADLP C[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1)n1cc[nH+]c1 ZINC001122144985 799154654 /nfs/dbraw/zinc/15/46/54/799154654.db2.gz JLJQBHXXWDDKAZ-IJLUTSLNSA-N 2 2 250.346 0.887 20 0 CCADLP [NH3+]CC[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001122294828 799190751 /nfs/dbraw/zinc/19/07/51/799190751.db2.gz YOLZYQNBFZQNNW-NWDGAFQWSA-N 2 2 262.357 0.643 20 0 CCADLP CNc1cc(CNC(=O)NC[C@@H]2CC[N@@H+]2C)cc[nH+]1 ZINC001123621780 799442445 /nfs/dbraw/zinc/44/24/45/799442445.db2.gz MVFLGDXICYCCPN-NSHDSACASA-N 2 2 263.345 0.627 20 0 CCADLP CNc1cc(CNC(=O)NC[C@@H]2CC[N@H+]2C)cc[nH+]1 ZINC001123621780 799442447 /nfs/dbraw/zinc/44/24/47/799442447.db2.gz MVFLGDXICYCCPN-NSHDSACASA-N 2 2 263.345 0.627 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+]CCO)C12CCC2 ZINC001203015035 799889110 /nfs/dbraw/zinc/88/91/10/799889110.db2.gz UBLRUYFSVZBSCR-STQMWFEESA-N 2 2 292.383 0.352 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@H]([NH2+]CCO)C12CCC2 ZINC001203015035 799889118 /nfs/dbraw/zinc/88/91/18/799889118.db2.gz UBLRUYFSVZBSCR-STQMWFEESA-N 2 2 292.383 0.352 20 0 CCADLP COC(=O)c1cnc(C[NH+]2CC3(C2)CC[NH+](C)CC3)cn1 ZINC001141832571 800038839 /nfs/dbraw/zinc/03/88/39/800038839.db2.gz CJSHZPMNWWZIOJ-UHFFFAOYSA-N 2 2 290.367 0.791 20 0 CCADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cnc(C(=O)OC)cn1 ZINC001141832558 800039931 /nfs/dbraw/zinc/03/99/31/800039931.db2.gz BTKVLTWXKIPFTE-UHFFFAOYSA-N 2 2 289.339 0.982 20 0 CCADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cnc(C(=O)OC)cn1 ZINC001141832558 800039939 /nfs/dbraw/zinc/03/99/39/800039939.db2.gz BTKVLTWXKIPFTE-UHFFFAOYSA-N 2 2 289.339 0.982 20 0 CCADLP Cc1cc(C[NH2+]CCNC(=O)CCc2c[nH+]cn2C)on1 ZINC001149554537 800275326 /nfs/dbraw/zinc/27/53/26/800275326.db2.gz VEIVTRNEQRVMOW-UHFFFAOYSA-N 2 2 291.355 0.555 20 0 CCADLP Cc1ncc(C[NH2+]CCNC(=O)CCc2c[nH+]cn2C)o1 ZINC001149571150 800276846 /nfs/dbraw/zinc/27/68/46/800276846.db2.gz QSQSJECSSBBHNY-UHFFFAOYSA-N 2 2 291.355 0.555 20 0 CCADLP Cc1ncoc1C[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151122993 800402551 /nfs/dbraw/zinc/40/25/51/800402551.db2.gz YIAJOBYLYJXRBK-UHFFFAOYSA-N 2 2 277.328 0.394 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NCC[NH2+]CC1CC1 ZINC001153345416 800624887 /nfs/dbraw/zinc/62/48/87/800624887.db2.gz UTOKYISIWRPWLT-UHFFFAOYSA-N 2 2 250.346 0.779 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CC[C@H]1CCOC1 ZINC001153495475 800634783 /nfs/dbraw/zinc/63/47/83/800634783.db2.gz KDCXGZOUTSZXGB-LBPRGKRZSA-N 2 2 266.345 0.016 20 0 CCADLP CC[N@H+](CCO)[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001153995364 800700971 /nfs/dbraw/zinc/70/09/71/800700971.db2.gz ZFFADIGAWGBMRB-CYBMUJFWSA-N 2 2 296.415 0.746 20 0 CCADLP CC[N@@H+](CCO)[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001153995364 800700973 /nfs/dbraw/zinc/70/09/73/800700973.db2.gz ZFFADIGAWGBMRB-CYBMUJFWSA-N 2 2 296.415 0.746 20 0 CCADLP NC(=O)c1ccnc(-n2c[nH+]cc2C2CC[NH2+]CC2)c1 ZINC001155053732 800898916 /nfs/dbraw/zinc/89/89/16/800898916.db2.gz PWTHQMOIVXJSDU-UHFFFAOYSA-N 2 2 271.324 0.833 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNc2ccc3c(n2)CC[NH2+]C3)C1 ZINC001155192996 800928181 /nfs/dbraw/zinc/92/81/81/800928181.db2.gz BVPDRFCHZIGWAM-LBPRGKRZSA-N 2 2 262.357 0.470 20 0 CCADLP C[N@H+]1CCO[C@@H](CNc2ccc3c(n2)CC[NH2+]C3)C1 ZINC001155192996 800928187 /nfs/dbraw/zinc/92/81/87/800928187.db2.gz BVPDRFCHZIGWAM-LBPRGKRZSA-N 2 2 262.357 0.470 20 0 CCADLP CN(c1ccc(Cn2cncn2)c[nH+]1)C1CC[NH2+]CC1 ZINC001156180564 801123196 /nfs/dbraw/zinc/12/31/96/801123196.db2.gz KTOLHLFOZUDGMM-UHFFFAOYSA-N 2 2 272.356 0.910 20 0 CCADLP C[NH+](C)C1(CNc2cncc(C(N)=O)n2)CC[NH+](C)CC1 ZINC001156182452 801123362 /nfs/dbraw/zinc/12/33/62/801123362.db2.gz UHNNKEZARVGBEQ-UHFFFAOYSA-N 2 2 292.387 0.013 20 0 CCADLP CC[N@H+](Cc1ccon1)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156890556 801254895 /nfs/dbraw/zinc/25/48/95/801254895.db2.gz OTXOZBPJIWOYER-OLZOCXBDSA-N 2 2 294.399 0.953 20 0 CCADLP CC[N@@H+](Cc1ccon1)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156890556 801254903 /nfs/dbraw/zinc/25/49/03/801254903.db2.gz OTXOZBPJIWOYER-OLZOCXBDSA-N 2 2 294.399 0.953 20 0 CCADLP CC[NH+](Cc1ccon1)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001156890556 801254906 /nfs/dbraw/zinc/25/49/06/801254906.db2.gz OTXOZBPJIWOYER-OLZOCXBDSA-N 2 2 294.399 0.953 20 0 CCADLP CC[NH+](Cc1ccon1)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001156890556 801254912 /nfs/dbraw/zinc/25/49/12/801254912.db2.gz OTXOZBPJIWOYER-OLZOCXBDSA-N 2 2 294.399 0.953 20 0 CCADLP Cn1cc[nH+]c1CCNC(=O)C[C@@H]([NH3+])COC(C)(C)C ZINC001157423538 801379501 /nfs/dbraw/zinc/37/95/01/801379501.db2.gz RMIJXCLJUISJDC-LLVKDONJSA-N 2 2 282.388 0.611 20 0 CCADLP O=C(N1CCCC(F)(F)CC1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157708055 801461348 /nfs/dbraw/zinc/46/13/48/801461348.db2.gz HCPYUGPIZCBUJY-MFKMUULPSA-N 2 2 273.327 0.586 20 0 CCADLP C[NH+]1CCC(C[NH+]2CCN(c3cc[nH+]c(N)n3)CC2)CC1 ZINC001157841333 801498234 /nfs/dbraw/zinc/49/82/34/801498234.db2.gz CARFHLSAVDDMJL-UHFFFAOYSA-N 3 2 290.415 0.523 20 0 CCADLP CN(C)c1cncc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001157914329 801518361 /nfs/dbraw/zinc/51/83/61/801518361.db2.gz BSPBJUHEFUNTAU-UHFFFAOYSA-N 2 2 263.349 0.137 20 0 CCADLP CN(C)c1nccnc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001157914507 801518378 /nfs/dbraw/zinc/51/83/78/801518378.db2.gz GNFGNFRVVHESPP-UHFFFAOYSA-N 2 2 263.349 0.137 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc(NC(N)=S)cn2)CC1 ZINC001157916301 801521040 /nfs/dbraw/zinc/52/10/40/801521040.db2.gz SDGSKYUJBPUXKL-UHFFFAOYSA-N 2 2 293.400 0.331 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@]12CCC[NH2+]C2 ZINC001158160028 801579099 /nfs/dbraw/zinc/57/90/99/801579099.db2.gz CXLKFKUZSOZKAU-OCCSQVGLSA-N 3 2 277.372 0.024 20 0 CCADLP CCOC(=O)c1cccnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158203814 801591759 /nfs/dbraw/zinc/59/17/59/801591759.db2.gz QLDCYAPDQHPPIS-SNVBAGLBSA-N 2 2 290.323 0.306 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncc2ccccc2n1 ZINC001158202948 801591873 /nfs/dbraw/zinc/59/18/73/801591873.db2.gz BGYWRSGHFXDLLB-LLVKDONJSA-N 2 2 269.308 0.678 20 0 CCADLP COc1cc(C)cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158204948 801592660 /nfs/dbraw/zinc/59/26/60/801592660.db2.gz XBUOKLLLJSSGTE-SNVBAGLBSA-N 2 2 262.313 0.446 20 0 CCADLP Cc1cnc2c(ccnc2-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158209387 801595402 /nfs/dbraw/zinc/59/54/02/801595402.db2.gz UEYYUEZVPNZHMW-SNVBAGLBSA-N 2 2 284.323 0.381 20 0 CCADLP CN(C)c1cncc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158259190 801608252 /nfs/dbraw/zinc/60/82/52/801608252.db2.gz PELSETKVSJLIBQ-GFCCVEGCSA-N 2 2 290.415 0.544 20 0 CCADLP CN(C)c1cncc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158259190 801608258 /nfs/dbraw/zinc/60/82/58/801608258.db2.gz PELSETKVSJLIBQ-GFCCVEGCSA-N 2 2 290.415 0.544 20 0 CCADLP CCOc1cnc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)nc1 ZINC001158258580 801608648 /nfs/dbraw/zinc/60/86/48/801608648.db2.gz CSBSXLHRNNUUSL-LBPRGKRZSA-N 2 2 291.399 0.877 20 0 CCADLP CCOc1cnc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)nc1 ZINC001158258580 801608654 /nfs/dbraw/zinc/60/86/54/801608654.db2.gz CSBSXLHRNNUUSL-LBPRGKRZSA-N 2 2 291.399 0.877 20 0 CCADLP COc1cc(C)nc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158260384 801609298 /nfs/dbraw/zinc/60/92/98/801609298.db2.gz CTNUFOPLUSJRBF-LBPRGKRZSA-N 2 2 291.399 0.795 20 0 CCADLP COc1cc(C)nc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158260384 801609305 /nfs/dbraw/zinc/60/93/05/801609305.db2.gz CTNUFOPLUSJRBF-LBPRGKRZSA-N 2 2 291.399 0.795 20 0 CCADLP CO[C@@H]1CN(c2cc(N3CCC[C@H](C)C3)[nH+]cn2)C[C@@H]1[NH3+] ZINC001158713169 801692488 /nfs/dbraw/zinc/69/24/88/801692488.db2.gz WVSHATOXWCALCB-RWMBFGLXSA-N 2 2 291.399 0.875 20 0 CCADLP C[NH2+]CCC(=O)N1CCc2c(C[N@H+](C)C(C)C)n[nH]c2C1 ZINC001158858558 801715725 /nfs/dbraw/zinc/71/57/25/801715725.db2.gz XIOHZMFOKJEXSN-UHFFFAOYSA-N 2 2 293.415 0.744 20 0 CCADLP C[NH2+]CCC(=O)N1CCc2c(C[N@@H+](C)C(C)C)n[nH]c2C1 ZINC001158858558 801715730 /nfs/dbraw/zinc/71/57/30/801715730.db2.gz XIOHZMFOKJEXSN-UHFFFAOYSA-N 2 2 293.415 0.744 20 0 CCADLP COc1c[nH+]c(NCCOCCOCC[NH3+])c(C)c1 ZINC001159444251 801807294 /nfs/dbraw/zinc/80/72/94/801807294.db2.gz BPNFLGWHOJXXRB-UHFFFAOYSA-N 2 2 269.345 0.802 20 0 CCADLP Cc1nc(N(C)C)nc(N[C@@H](C)[C@H]2C[NH2+]CCO2)[nH+]1 ZINC001159496449 801822239 /nfs/dbraw/zinc/82/22/39/801822239.db2.gz DEYPWOHNYGMNDH-WCBMZHEXSA-N 2 2 266.349 0.035 20 0 CCADLP Cc1nocc1C[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159537215 801831960 /nfs/dbraw/zinc/83/19/60/801831960.db2.gz PKCWBYMDAWFIBI-UHFFFAOYSA-N 2 2 291.355 0.935 20 0 CCADLP Cc1nocc1C[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159537215 801831968 /nfs/dbraw/zinc/83/19/68/801831968.db2.gz PKCWBYMDAWFIBI-UHFFFAOYSA-N 2 2 291.355 0.935 20 0 CCADLP COC[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160336794 801929743 /nfs/dbraw/zinc/92/97/43/801929743.db2.gz MREAXXFHOLKAGQ-IJLUTSLNSA-N 2 2 280.372 0.644 20 0 CCADLP COC[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160336794 801929752 /nfs/dbraw/zinc/92/97/52/801929752.db2.gz MREAXXFHOLKAGQ-IJLUTSLNSA-N 2 2 280.372 0.644 20 0 CCADLP [NH3+]C1(C(=O)N2CC(OCc3ccccc3)C2)CC[NH2+]CC1 ZINC001160491124 801950743 /nfs/dbraw/zinc/95/07/43/801950743.db2.gz UAZVJMJXABZAFV-UHFFFAOYSA-N 2 2 289.379 0.495 20 0 CCADLP CCOc1nccnc1N[C@@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160517192 801959478 /nfs/dbraw/zinc/95/94/78/801959478.db2.gz BTIRMHKOIQGSPZ-AWEZNQCLSA-N 2 2 277.372 0.710 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[C@@H](c2cccnc2)C1 ZINC001160523346 801960264 /nfs/dbraw/zinc/96/02/64/801960264.db2.gz ASDOYOTXUOQSRM-HIFRSBDPSA-N 2 2 299.378 0.701 20 0 CCADLP C[C@@H]1C[C@H](O)CCN1C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001160655153 801992146 /nfs/dbraw/zinc/99/21/46/801992146.db2.gz HUXNJCRYTJMSLA-HONMWMINSA-N 2 2 277.368 0.631 20 0 CCADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)Nc1cc(N)cc[nH+]1 ZINC001160691579 802003284 /nfs/dbraw/zinc/00/32/84/802003284.db2.gz TTZJHXYLONHJIF-LLVKDONJSA-N 2 2 275.312 0.594 20 0 CCADLP CN(C[C@@H]1CC1(C)C)C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001160711594 802007912 /nfs/dbraw/zinc/00/79/12/802007912.db2.gz RYKWXHFBBAAUHY-OXIWPEFWSA-N 2 2 251.374 0.713 20 0 CCADLP CN(C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])[C@H](C1CCC1)C(F)(F)F ZINC001160774187 802016990 /nfs/dbraw/zinc/01/69/90/802016990.db2.gz PVSUGRJUETZZAE-LPEHRKFASA-N 2 2 279.306 0.723 20 0 CCADLP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001160846658 802028410 /nfs/dbraw/zinc/02/84/10/802028410.db2.gz VPLUFTQKVXSYFS-LLVKDONJSA-N 3 2 265.361 0.182 20 0 CCADLP [NH3+]CCC[C@@H]([NH3+])C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001160846658 802028416 /nfs/dbraw/zinc/02/84/16/802028416.db2.gz VPLUFTQKVXSYFS-LLVKDONJSA-N 3 2 265.361 0.182 20 0 CCADLP CN(CC[N@H+](C)Cc1ccccc1)C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1 ZINC001161160672 802104816 /nfs/dbraw/zinc/10/48/16/802104816.db2.gz DFFZLTBWCHGECF-GJZGRUSLSA-N 3 2 290.411 0.266 20 0 CCADLP CN(CC[N@@H+](C)Cc1ccccc1)C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1 ZINC001161160672 802104821 /nfs/dbraw/zinc/10/48/21/802104821.db2.gz DFFZLTBWCHGECF-GJZGRUSLSA-N 3 2 290.411 0.266 20 0 CCADLP CCC[NH2+]CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001161310835 802124062 /nfs/dbraw/zinc/12/40/62/802124062.db2.gz ZQJKATHVAJNOAY-LBPRGKRZSA-N 2 2 264.373 0.951 20 0 CCADLP CCN(C(=O)[C@@H]1CC[NH2+][C@H](C(=O)OC)C1)[C@H]1CCC[NH2+]C1 ZINC001161331370 802128667 /nfs/dbraw/zinc/12/86/67/802128667.db2.gz WUXJOLZIPAYZLC-AGIUHOORSA-N 2 2 297.399 0.128 20 0 CCADLP CCN(C(=O)[C@]1(C)CC(F)(F)C[NH2+]1)[C@H]1CCC[NH2+]C1 ZINC001161333462 802131078 /nfs/dbraw/zinc/13/10/78/802131078.db2.gz UZPMWCGVEBBUNB-JQWIXIFHSA-N 2 2 275.343 0.974 20 0 CCADLP CCN(C(=O)c1n[nH]c2c1C[NH2+]CC2)[C@@H]1CCC[NH2+]C1 ZINC001161347142 802135166 /nfs/dbraw/zinc/13/51/66/802135166.db2.gz SXJSLBYTJQCYPK-SNVBAGLBSA-N 2 2 277.372 0.270 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC(C(F)F)C1 ZINC001161497810 802165488 /nfs/dbraw/zinc/16/54/88/802165488.db2.gz FTLSVHRZKDTMPS-VIFPVBQESA-N 2 2 258.272 0.013 20 0 CCADLP COc1cc(NCC[NH+]2CCC([NH3+])CC2)nc(OC)n1 ZINC001161866992 802234064 /nfs/dbraw/zinc/23/40/64/802234064.db2.gz IRDQRQNALNLXLT-UHFFFAOYSA-N 2 2 281.360 0.329 20 0 CCADLP CCOC(=O)[C@H]([NH3+])CNc1nc(Cl)nc2c1C[NH2+]CC2 ZINC001161946163 802253556 /nfs/dbraw/zinc/25/35/56/802253556.db2.gz RQMFXHBCDMGHDF-MRVPVSSYSA-N 2 2 299.762 0.078 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC1=CC[N@H+](CCF)CC1 ZINC001161989906 802264108 /nfs/dbraw/zinc/26/41/08/802264108.db2.gz USRDLQHYOIESAT-UHFFFAOYSA-N 2 2 280.347 0.991 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC1=CC[N@@H+](CCF)CC1 ZINC001161989906 802264114 /nfs/dbraw/zinc/26/41/14/802264114.db2.gz USRDLQHYOIESAT-UHFFFAOYSA-N 2 2 280.347 0.991 20 0 CCADLP Cc1[nH+]cn(-c2ccc(-n3cnc(C[NH3+])c3)nn2)c1C ZINC001162298610 802303754 /nfs/dbraw/zinc/30/37/54/802303754.db2.gz KNKOYKGRCVHFOW-UHFFFAOYSA-N 2 2 269.312 0.924 20 0 CCADLP [NH3+]Cc1cn(-c2ccc(Cn3cc[nH+]c3)cn2)cn1 ZINC001162298333 802305316 /nfs/dbraw/zinc/30/53/16/802305316.db2.gz FEVOKCRMRIQNIG-UHFFFAOYSA-N 2 2 254.297 0.971 20 0 CCADLP C[N@@H+]1CCO[C@H](CNc2ccc3c(n2)OCC[NH2+]C3)C1 ZINC001162683459 802392972 /nfs/dbraw/zinc/39/29/72/802392972.db2.gz UMAUJQXJXIOGNA-GFCCVEGCSA-N 2 2 278.356 0.306 20 0 CCADLP C[N@H+]1CCO[C@H](CNc2ccc3c(n2)OCC[NH2+]C3)C1 ZINC001162683459 802392980 /nfs/dbraw/zinc/39/29/80/802392980.db2.gz UMAUJQXJXIOGNA-GFCCVEGCSA-N 2 2 278.356 0.306 20 0 CCADLP Cc1nc(N(C)C)nc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)[nH+]1 ZINC001162798185 802420594 /nfs/dbraw/zinc/42/05/94/802420594.db2.gz RWKAFHJLDCEMES-GMTAPVOTSA-N 2 2 260.345 0.432 20 0 CCADLP Fc1c[nH]c2nc[nH+]c(N[C@H]3COCCC34C[NH2+]C4)c12 ZINC001163064814 802471160 /nfs/dbraw/zinc/47/11/60/802471160.db2.gz IEUSKSPRMZMCNS-VIFPVBQESA-N 2 2 277.303 0.887 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001163283360 802527087 /nfs/dbraw/zinc/52/70/87/802527087.db2.gz MPEJGKVHBLKADR-OAHLLOKOSA-N 2 2 297.443 0.992 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC001163283360 802527090 /nfs/dbraw/zinc/52/70/90/802527090.db2.gz MPEJGKVHBLKADR-OAHLLOKOSA-N 2 2 297.443 0.992 20 0 CCADLP Cc1cc(C[NH3+])nn1-c1ccc(-n2cc[nH+]c2C)nn1 ZINC001163981458 802644626 /nfs/dbraw/zinc/64/46/26/802644626.db2.gz MNTQOPRUKNRMPB-UHFFFAOYSA-N 2 2 269.312 0.924 20 0 CCADLP Cc1c[nH+]c(N2CCC(C[NH3+])CC2)nc1N1CC[C@H]([NH3+])C1 ZINC001164280247 802704516 /nfs/dbraw/zinc/70/45/16/802704516.db2.gz ZAGYRNDMMXPVGF-ZDUSSCGKSA-N 3 2 290.415 0.498 20 0 CCADLP C[NH+]1C[C@H]2CN(c3cc[nH+]c(N4CCOCC4)n3)C[C@@H]2C1 ZINC001165153076 802791725 /nfs/dbraw/zinc/79/17/25/802791725.db2.gz WETSUXAMHPUIHQ-STQMWFEESA-N 2 2 289.383 0.311 20 0 CCADLP C[C@@]1(O)CCN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC001165229655 802800423 /nfs/dbraw/zinc/80/04/23/802800423.db2.gz QWKVKOPCKXEKED-CQSZACIVSA-N 2 2 262.357 0.452 20 0 CCADLP Cc1[nH+]c2c(n1-c1ccc(N(C)C)nn1)CC[NH2+]CC2 ZINC001165352484 802826101 /nfs/dbraw/zinc/82/61/01/802826101.db2.gz VOVKGDQGZGSLFL-UHFFFAOYSA-N 2 2 272.356 0.725 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCC1(C[NH2+]CCO)CC1 ZINC001166481686 802907878 /nfs/dbraw/zinc/90/78/78/802907878.db2.gz PZDPXGKSZDDVMK-UHFFFAOYSA-N 2 2 280.372 0.142 20 0 CCADLP COc1ncc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)s1 ZINC001205681000 803154546 /nfs/dbraw/zinc/15/45/46/803154546.db2.gz DDPSHMRLTJOBSP-LBPRGKRZSA-N 2 2 271.386 0.827 20 0 CCADLP COc1ncc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)s1 ZINC001205681000 803154553 /nfs/dbraw/zinc/15/45/53/803154553.db2.gz DDPSHMRLTJOBSP-LBPRGKRZSA-N 2 2 271.386 0.827 20 0 CCADLP C[C@@H](F)CC[N@@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001269354916 813336843 /nfs/dbraw/zinc/33/68/43/813336843.db2.gz BVNKVFNKYRVZLD-NEPJUHHUSA-N 2 2 268.336 0.822 20 0 CCADLP C[C@@H](F)CC[N@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001269354916 813336849 /nfs/dbraw/zinc/33/68/49/813336849.db2.gz BVNKVFNKYRVZLD-NEPJUHHUSA-N 2 2 268.336 0.822 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc3cccc(O)c3n2)C[C@H]1O ZINC001205959348 803191504 /nfs/dbraw/zinc/19/15/04/803191504.db2.gz NIYMRSXIIKQHLN-TZMCWYRMSA-N 2 2 273.336 0.834 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3cccc(O)c3n2)C[C@H]1O ZINC001205959348 803191510 /nfs/dbraw/zinc/19/15/10/803191510.db2.gz NIYMRSXIIKQHLN-TZMCWYRMSA-N 2 2 273.336 0.834 20 0 CCADLP [NH3+]C[C@@]1(F)CCCC[N@H+](CCN2CCOCC2)C1 ZINC001206335194 803231247 /nfs/dbraw/zinc/23/12/47/803231247.db2.gz CCYLKWMCMILVOI-ZDUSSCGKSA-N 2 2 259.369 0.472 20 0 CCADLP [NH3+]C[C@@]1(F)CCCC[N@@H+](CCN2CCOCC2)C1 ZINC001206335194 803231251 /nfs/dbraw/zinc/23/12/51/803231251.db2.gz CCYLKWMCMILVOI-ZDUSSCGKSA-N 2 2 259.369 0.472 20 0 CCADLP Cc1ccc2n[nH]c(C[N@@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)c2c1 ZINC001206467936 803246511 /nfs/dbraw/zinc/24/65/11/803246511.db2.gz DSGKELBPPIHGEM-IINYFYTJSA-N 2 2 260.341 0.623 20 0 CCADLP Cc1ccc2n[nH]c(C[N@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)c2c1 ZINC001206467936 803246518 /nfs/dbraw/zinc/24/65/18/803246518.db2.gz DSGKELBPPIHGEM-IINYFYTJSA-N 2 2 260.341 0.623 20 0 CCADLP CCOc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(C)n1 ZINC001206481714 803251507 /nfs/dbraw/zinc/25/15/07/803251507.db2.gz ZMWUIOJEYREVEE-QWHCGFSZSA-N 2 2 265.357 0.540 20 0 CCADLP CCOc1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(C)n1 ZINC001206481714 803251510 /nfs/dbraw/zinc/25/15/10/803251510.db2.gz ZMWUIOJEYREVEE-QWHCGFSZSA-N 2 2 265.357 0.540 20 0 CCADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206518626 803256876 /nfs/dbraw/zinc/25/68/76/803256876.db2.gz ARJARTREQIANRX-HOCLYGCPSA-N 3 2 286.379 0.932 20 0 CCADLP Cc1[nH+]ccn1-c1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc1 ZINC001206518626 803256882 /nfs/dbraw/zinc/25/68/82/803256882.db2.gz ARJARTREQIANRX-HOCLYGCPSA-N 3 2 286.379 0.932 20 0 CCADLP CCOc1ccc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cn1 ZINC001206524957 803260601 /nfs/dbraw/zinc/26/06/01/803260601.db2.gz CGWKRMCJQORDRN-RYUDHWBXSA-N 2 2 251.330 0.232 20 0 CCADLP CCOc1ccc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cn1 ZINC001206524957 803260607 /nfs/dbraw/zinc/26/06/07/803260607.db2.gz CGWKRMCJQORDRN-RYUDHWBXSA-N 2 2 251.330 0.232 20 0 CCADLP C[NH+](C)CCN1CCC12CN(Cc1cccc(N)[nH+]1)C2 ZINC001276491485 803280278 /nfs/dbraw/zinc/28/02/78/803280278.db2.gz FHTXIUNTHFPFJK-UHFFFAOYSA-N 2 2 275.400 0.486 20 0 CCADLP C[NH+](C)CCN1CCC12C[NH+](Cc1cccc(N)n1)C2 ZINC001276491485 803280283 /nfs/dbraw/zinc/28/02/83/803280283.db2.gz FHTXIUNTHFPFJK-UHFFFAOYSA-N 2 2 275.400 0.486 20 0 CCADLP Cc1[nH+]cc(CN2CC([N@H+](C)[C@@H]3CCOC3)C2)n1C ZINC001206794139 803287255 /nfs/dbraw/zinc/28/72/55/803287255.db2.gz KAHJKTHWGYYOIA-GFCCVEGCSA-N 2 2 264.373 0.633 20 0 CCADLP Cc1[nH+]cc(CN2CC([N@@H+](C)[C@@H]3CCOC3)C2)n1C ZINC001206794139 803287261 /nfs/dbraw/zinc/28/72/61/803287261.db2.gz KAHJKTHWGYYOIA-GFCCVEGCSA-N 2 2 264.373 0.633 20 0 CCADLP CO[C@@H](C)C[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001206971080 803319972 /nfs/dbraw/zinc/31/99/72/803319972.db2.gz YWRYXSHIWJCCHJ-ZDUSSCGKSA-N 2 2 294.399 0.746 20 0 CCADLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3cc[nH]c(=O)c3)C[C@@H]2C1 ZINC001207122729 803357406 /nfs/dbraw/zinc/35/74/06/803357406.db2.gz ZRJMRPQRFUNLMG-UONOGXRCSA-N 2 2 277.368 0.940 20 0 CCADLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3cc[nH]c(=O)c3)C[C@@H]2C1 ZINC001207122729 803357409 /nfs/dbraw/zinc/35/74/09/803357409.db2.gz ZRJMRPQRFUNLMG-UONOGXRCSA-N 2 2 277.368 0.940 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3cc[nH]c(=O)c3)C[C@@H]2C1 ZINC001207122729 803357414 /nfs/dbraw/zinc/35/74/14/803357414.db2.gz ZRJMRPQRFUNLMG-UONOGXRCSA-N 2 2 277.368 0.940 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3cc[nH]c(=O)c3)C[C@@H]2C1 ZINC001207122729 803357421 /nfs/dbraw/zinc/35/74/21/803357421.db2.gz ZRJMRPQRFUNLMG-UONOGXRCSA-N 2 2 277.368 0.940 20 0 CCADLP CCn1ccnc1C[N@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001207146574 803359643 /nfs/dbraw/zinc/35/96/43/803359643.db2.gz WTXPIEHWBNXMNK-UHFFFAOYSA-N 2 2 293.415 0.499 20 0 CCADLP C[NH+]1CC2(CN(CC(C)(C)[NH+]3CCOCC3)C2)C1 ZINC001207308226 803384121 /nfs/dbraw/zinc/38/41/21/803384121.db2.gz VXLCGWVOPHYEAZ-UHFFFAOYSA-N 2 2 253.390 0.345 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001207923892 803466238 /nfs/dbraw/zinc/46/62/38/803466238.db2.gz GAXFCTDEIQXALS-OLZOCXBDSA-N 2 2 294.399 0.958 20 0 CCADLP COCC[NH2+][C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001208299979 803503488 /nfs/dbraw/zinc/50/34/88/803503488.db2.gz UOOSNYKTSWYVNR-ZDUSSCGKSA-N 2 2 280.372 0.569 20 0 CCADLP COCC[NH2+][C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001208299979 803503492 /nfs/dbraw/zinc/50/34/92/803503492.db2.gz UOOSNYKTSWYVNR-ZDUSSCGKSA-N 2 2 280.372 0.569 20 0 CCADLP Cc1cc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C2)no1 ZINC001208490601 803517383 /nfs/dbraw/zinc/51/73/83/803517383.db2.gz COWLXHWCXHWYQM-BXUZGUMPSA-N 2 2 294.399 0.871 20 0 CCADLP Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C2)no1 ZINC001208490601 803517390 /nfs/dbraw/zinc/51/73/90/803517390.db2.gz COWLXHWCXHWYQM-BXUZGUMPSA-N 2 2 294.399 0.871 20 0 CCADLP COC(=O)[C@@H]1COCCC12C[NH+](C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001208616874 803530800 /nfs/dbraw/zinc/53/08/00/803530800.db2.gz MTKFBLNUHQPSTR-KGLIPLIRSA-N 2 2 296.411 0.840 20 0 CCADLP COC(=O)[C@@H]1COCCC12C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001208616874 803530806 /nfs/dbraw/zinc/53/08/06/803530806.db2.gz MTKFBLNUHQPSTR-KGLIPLIRSA-N 2 2 296.411 0.840 20 0 CCADLP C[N@H+]1C[C@H]2[C@H](C1)CCCN2CC[NH+]1CCOCC1 ZINC001209295604 803590895 /nfs/dbraw/zinc/59/08/95/803590895.db2.gz ZSGSDBCZSMOIMR-KBPBESRZSA-N 2 2 253.390 0.345 20 0 CCADLP C[N@@H+]1C[C@H]2[C@H](C1)CCCN2CC[NH+]1CCOCC1 ZINC001209295604 803590899 /nfs/dbraw/zinc/59/08/99/803590899.db2.gz ZSGSDBCZSMOIMR-KBPBESRZSA-N 2 2 253.390 0.345 20 0 CCADLP COCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001209337398 803596992 /nfs/dbraw/zinc/59/69/92/803596992.db2.gz PSRVSQGRDIFEDH-OUCADQQQSA-N 2 2 294.399 0.671 20 0 CCADLP COCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001209337398 803596995 /nfs/dbraw/zinc/59/69/95/803596995.db2.gz PSRVSQGRDIFEDH-OUCADQQQSA-N 2 2 294.399 0.671 20 0 CCADLP COCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001209337398 803596997 /nfs/dbraw/zinc/59/69/97/803596997.db2.gz PSRVSQGRDIFEDH-OUCADQQQSA-N 2 2 294.399 0.671 20 0 CCADLP COCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001209337398 803597000 /nfs/dbraw/zinc/59/70/00/803597000.db2.gz PSRVSQGRDIFEDH-OUCADQQQSA-N 2 2 294.399 0.671 20 0 CCADLP C[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209506456 803608825 /nfs/dbraw/zinc/60/88/25/803608825.db2.gz LDZUZPMPBZINIR-CHWSQXEVSA-N 2 2 287.379 0.115 20 0 CCADLP C[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001209506456 803608829 /nfs/dbraw/zinc/60/88/29/803608829.db2.gz LDZUZPMPBZINIR-CHWSQXEVSA-N 2 2 287.379 0.115 20 0 CCADLP COCC(=O)N[C@@H]1CCC[N@H+](Cc2c[nH+]ccc2N)C1 ZINC001209733474 803625457 /nfs/dbraw/zinc/62/54/57/803625457.db2.gz YCVLVHHZUVIOOB-GFCCVEGCSA-N 2 2 278.356 0.221 20 0 CCADLP COCC(=O)N[C@@H]1CCC[N@@H+](Cc2c[nH+]ccc2N)C1 ZINC001209733474 803625461 /nfs/dbraw/zinc/62/54/61/803625461.db2.gz YCVLVHHZUVIOOB-GFCCVEGCSA-N 2 2 278.356 0.221 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001216993602 803862344 /nfs/dbraw/zinc/86/23/44/803862344.db2.gz LWGRIRHSVHDGGG-MGPQQGTHSA-N 2 2 294.399 0.481 20 0 CCADLP C[C@@H]1C[N@@H+](CCc2nnc([C@@H]3CC[NH2+]3)o2)C[C@H](C)O1 ZINC001217695305 803901666 /nfs/dbraw/zinc/90/16/66/803901666.db2.gz SJXFUAUTTSSCRZ-AXFHLTTASA-N 2 2 266.345 0.756 20 0 CCADLP C[C@@H]1C[N@H+](CCc2nnc([C@@H]3CC[NH2+]3)o2)C[C@H](C)O1 ZINC001217695305 803901671 /nfs/dbraw/zinc/90/16/71/803901671.db2.gz SJXFUAUTTSSCRZ-AXFHLTTASA-N 2 2 266.345 0.756 20 0 CCADLP C[C@@H]1C[NH+](CCc2nnc([C@H]3[NH2+]CC[C@H]3O)o2)C[C@@H](C)O1 ZINC001217751604 803910351 /nfs/dbraw/zinc/91/03/51/803910351.db2.gz LDOQJMJWXKPFCK-UZWSLXQKSA-N 2 2 296.371 0.117 20 0 CCADLP COc1nn(C)cc1NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001218504270 803972047 /nfs/dbraw/zinc/97/20/47/803972047.db2.gz DPRLKCDSWWGPFJ-LLVKDONJSA-N 2 2 289.339 0.640 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cnc(-c2ccccc2)cn1 ZINC001218506173 803973356 /nfs/dbraw/zinc/97/33/56/803973356.db2.gz WBURBBAKSRFMTQ-RYUDHWBXSA-N 2 2 283.335 0.629 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1cc(C2CC2)[nH]n1 ZINC001218521747 803983651 /nfs/dbraw/zinc/98/36/51/803983651.db2.gz UPXPBQFTYMTNLC-JTQLQIEISA-N 2 2 274.328 0.529 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ncccc1O ZINC001218540495 803995501 /nfs/dbraw/zinc/99/55/01/803995501.db2.gz ZENUDGKPVCQWJO-VIFPVBQESA-N 2 2 261.285 0.029 20 0 CCADLP [NH3+]C1(C(=O)Nc2cnc(C(F)(F)F)nc2)CC[NH2+]CC1 ZINC001218584328 804021452 /nfs/dbraw/zinc/02/14/52/804021452.db2.gz AWIJVQKUOAYEBI-UHFFFAOYSA-N 2 2 289.261 0.515 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc(-c2ccncc2)c[nH]c1=O ZINC001218603329 804029116 /nfs/dbraw/zinc/02/91/16/804029116.db2.gz NSKJQSHKVPVPLL-RYUDHWBXSA-N 2 2 299.334 0.334 20 0 CCADLP COc1ccc2ncc(NC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)cc2c1 ZINC001218629435 804046471 /nfs/dbraw/zinc/04/64/71/804046471.db2.gz XOYMKEXDWAOHIQ-YGRLFVJLSA-N 2 2 286.335 0.871 20 0 CCADLP COc1ccc(C)nc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218661312 804070958 /nfs/dbraw/zinc/07/09/58/804070958.db2.gz IXDORIFOKZHFQO-JTQLQIEISA-N 2 2 275.312 0.630 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cc(Cl)[nH]c(=O)c2)C1 ZINC001218694693 804083504 /nfs/dbraw/zinc/08/35/04/804083504.db2.gz CUGMKNVTAASAHV-VDTYLAMSSA-N 2 2 256.693 0.068 20 0 CCADLP Cn1c(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc2ccccc21 ZINC001218724783 804095729 /nfs/dbraw/zinc/09/57/29/804095729.db2.gz LCGDXCLCKPAAQZ-QWRGUYRKSA-N 2 2 258.325 0.664 20 0 CCADLP Cc1cc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)n(C2CCC2)n1 ZINC001218728647 804099137 /nfs/dbraw/zinc/09/91/37/804099137.db2.gz NUAAZSGEZLRPPQ-KOLCDFICSA-N 2 2 263.345 0.544 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1cn(CCF)cn1 ZINC001218743285 804105879 /nfs/dbraw/zinc/10/58/79/804105879.db2.gz RONYPWHAQZNCHH-JTQLQIEISA-N 2 2 280.307 0.095 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cncnc1C(F)(F)F ZINC001218764728 804114729 /nfs/dbraw/zinc/11/47/29/804114729.db2.gz SQSBJNCZQVRDGR-YFKPBYRVSA-N 2 2 263.223 0.110 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)Nc2cnc3nccn3c2)cc1 ZINC001218784394 804119440 /nfs/dbraw/zinc/11/94/40/804119440.db2.gz JWMWTDFIQIMCRU-CYBMUJFWSA-N 2 2 296.334 0.940 20 0 CCADLP O=C(Nc1ccn2cc[nH+]c2c1)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218788766 804120910 /nfs/dbraw/zinc/12/09/10/804120910.db2.gz XQACVCQDTJNNQS-NSHDSACASA-N 3 2 271.324 0.082 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cncc(OC(F)(F)F)c1 ZINC001218793983 804122083 /nfs/dbraw/zinc/12/20/83/804122083.db2.gz JOIBIBFHXDBXKI-QMMMGPOBSA-N 2 2 278.234 0.595 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccccc1C(=O)NC1CC1 ZINC001218885252 804148424 /nfs/dbraw/zinc/14/84/24/804148424.db2.gz IFTHAJYYWBJLMB-NSHDSACASA-N 2 2 276.340 0.193 20 0 CCADLP COc1ccc(C(C)=O)c(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c1C ZINC001218902235 804153217 /nfs/dbraw/zinc/15/32/17/804153217.db2.gz HDKZHVXKNHAKEB-PWSUYJOCSA-N 2 2 291.351 0.834 20 0 CCADLP Cc1cc(N)ccc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001219316913 804268081 /nfs/dbraw/zinc/26/80/81/804268081.db2.gz GSMFJRGUJWISOJ-NSHDSACASA-N 2 2 259.313 0.809 20 0 CCADLP [NH3+]Cc1ccc(NC(=O)C[NH2+]C2CC[NH2+]CC2)cc1 ZINC001219345527 804280645 /nfs/dbraw/zinc/28/06/45/804280645.db2.gz RTLXOIBVYPOLCJ-UHFFFAOYSA-N 3 2 262.357 0.425 20 0 CCADLP CN1Cc2c(NC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])cccc2NC1=O ZINC001219530157 804339037 /nfs/dbraw/zinc/33/90/37/804339037.db2.gz MSFLQHCACKUJQP-WPRPVWTQSA-N 2 2 289.339 0.149 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC001219553595 804342186 /nfs/dbraw/zinc/34/21/86/804342186.db2.gz BVYSYCYJHDDLTK-SECBINFHSA-N 2 2 261.247 0.937 20 0 CCADLP C[C@H](F)CC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219550903 804343416 /nfs/dbraw/zinc/34/34/16/804343416.db2.gz LLBREQVXTGMMST-TUAOUCFPSA-N 2 2 298.362 0.252 20 0 CCADLP C[C@H](F)CC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219550903 804343428 /nfs/dbraw/zinc/34/34/28/804343428.db2.gz LLBREQVXTGMMST-TUAOUCFPSA-N 2 2 298.362 0.252 20 0 CCADLP Cc1cccnc1CCCNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219571146 804354065 /nfs/dbraw/zinc/35/40/65/804354065.db2.gz CCNIWSFWVFKUKR-AEGPPILISA-N 2 2 288.395 0.389 20 0 CCADLP O=C(NCc1ccc2c(c1)CCC2)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219571836 804355837 /nfs/dbraw/zinc/35/58/37/804355837.db2.gz RIBIOCZDEIPCBF-DOTOQJQBSA-N 2 2 285.391 0.743 20 0 CCADLP CC(C)C[C@H](CO)NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001219630662 804381574 /nfs/dbraw/zinc/38/15/74/804381574.db2.gz HRXIMHCCITYNCD-KGLIPLIRSA-N 2 2 279.384 0.782 20 0 CCADLP C[C@@H]1C[C@@H](CNC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)C[NH2+]1 ZINC001219687250 804403164 /nfs/dbraw/zinc/40/31/64/804403164.db2.gz JKEJSUHHRNLJJU-GYSYKLTISA-N 3 2 276.384 0.373 20 0 CCADLP CC(C)C[C@@](C)([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC001219695820 804406513 /nfs/dbraw/zinc/40/65/13/804406513.db2.gz ZHBKYQCXAKMZQM-DGCLKSJQSA-N 2 2 257.378 0.197 20 0 CCADLP CC(C)C[C@@](C)([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC001219695820 804406521 /nfs/dbraw/zinc/40/65/21/804406521.db2.gz ZHBKYQCXAKMZQM-DGCLKSJQSA-N 2 2 257.378 0.197 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)N[C@H]1C[NH2+]Cc2ccsc21 ZINC001219823005 804430577 /nfs/dbraw/zinc/43/05/77/804430577.db2.gz IFRPSHICMBXMDY-LBPRGKRZSA-N 3 2 294.424 0.350 20 0 CCADLP Cc1c[nH]c(CCNC(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)[nH+]1 ZINC001219951860 804456705 /nfs/dbraw/zinc/45/67/05/804456705.db2.gz FAWWLAAJSFEPGG-ONGXEEELSA-N 2 2 250.346 0.765 20 0 CCADLP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001219978170 804462918 /nfs/dbraw/zinc/46/29/18/804462918.db2.gz FPSRPYQHNRWXBM-WCQYABFASA-N 3 2 279.388 0.128 20 0 CCADLP C[N@H+]1CCC[C@@H](CCNC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001219978170 804462922 /nfs/dbraw/zinc/46/29/22/804462922.db2.gz FPSRPYQHNRWXBM-WCQYABFASA-N 3 2 279.388 0.128 20 0 CCADLP C[NH+]1CC(NC(=O)[C@H]([NH3+])Cc2ccc3ccccc3n2)C1 ZINC001220013290 804471521 /nfs/dbraw/zinc/47/15/21/804471521.db2.gz PJCKNHJSDUBMOA-CQSZACIVSA-N 2 2 284.363 0.535 20 0 CCADLP CC(C)C[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220105771 804501557 /nfs/dbraw/zinc/50/15/57/804501557.db2.gz LGKOJRBBXITCCP-OLZOCXBDSA-N 2 2 280.372 0.091 20 0 CCADLP CC(C)C[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220105771 804501565 /nfs/dbraw/zinc/50/15/65/804501565.db2.gz LGKOJRBBXITCCP-OLZOCXBDSA-N 2 2 280.372 0.091 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NCCOC(F)(F)F)cc1 ZINC001220139323 804509058 /nfs/dbraw/zinc/50/90/58/804509058.db2.gz QJVCTSWZFIZZDE-JTQLQIEISA-N 2 2 291.273 0.911 20 0 CCADLP C[C@@H](NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)c1cncnc1 ZINC001220183825 804530015 /nfs/dbraw/zinc/53/00/15/804530015.db2.gz ZNSPRRGIHLPEGW-YGRLFVJLSA-N 2 2 285.351 0.926 20 0 CCADLP [NH3+][C@@H](CC1CCC1)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC001220186827 804531696 /nfs/dbraw/zinc/53/16/96/804531696.db2.gz VLACXRPSTFZLJN-MNOVXSKESA-N 2 2 275.343 0.865 20 0 CCADLP COC1CCC(NC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001220220826 804540239 /nfs/dbraw/zinc/54/02/39/804540239.db2.gz GVCNELKUKIEZTG-MLCFOIATSA-N 2 2 267.373 0.012 20 0 CCADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCC1=CCCCC1 ZINC001220256939 804553904 /nfs/dbraw/zinc/55/39/04/804553904.db2.gz JLOGNGOKEZLXPG-HNNXBMFYSA-N 2 2 294.443 0.744 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)[C@](C)([NH3+])CC(C)C ZINC001220274740 804558716 /nfs/dbraw/zinc/55/87/16/804558716.db2.gz OUUGTIPKPNIYTJ-CQSZACIVSA-N 2 2 282.388 0.909 20 0 CCADLP CC(C)[C@@]1(C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)CCC[NH2+]C1 ZINC001220290993 804562871 /nfs/dbraw/zinc/56/28/71/804562871.db2.gz JIXPWMGPIUATSQ-UKRRQHHQSA-N 2 2 294.399 0.455 20 0 CCADLP CC(C)[C@@]1(C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)CCC[NH2+]C1 ZINC001220290993 804562880 /nfs/dbraw/zinc/56/28/80/804562880.db2.gz JIXPWMGPIUATSQ-UKRRQHHQSA-N 2 2 294.399 0.455 20 0 CCADLP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C1(F)C[NH2+]C1 ZINC001220331744 804577022 /nfs/dbraw/zinc/57/70/22/804577022.db2.gz CEUQFVPLFLMRTG-NSHDSACASA-N 2 2 257.353 0.535 20 0 CCADLP O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1(F)C[NH2+]C1 ZINC001220428543 804602766 /nfs/dbraw/zinc/60/27/66/804602766.db2.gz AGKLWAJZFOMPLB-WDNDVIMCSA-N 2 2 289.354 0.545 20 0 CCADLP O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1(F)C[NH2+]C1 ZINC001220428543 804602768 /nfs/dbraw/zinc/60/27/68/804602768.db2.gz AGKLWAJZFOMPLB-WDNDVIMCSA-N 2 2 289.354 0.545 20 0 CCADLP O=C(N[C@@H]1CNc2ccccc2C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220599214 804636219 /nfs/dbraw/zinc/63/62/19/804636219.db2.gz PNYWHKQSZOOATN-DVOMOZLQSA-N 2 2 286.379 0.091 20 0 CCADLP CC[C@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)c1ccccc1OC ZINC001220636132 804640488 /nfs/dbraw/zinc/64/04/88/804640488.db2.gz XSXVTPQVHLSOEJ-WXHSDQCUSA-N 2 2 277.368 0.952 20 0 CCADLP O=C(NC1CC2(C1)CC(F)(F)C2)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220736479 804658049 /nfs/dbraw/zinc/65/80/49/804658049.db2.gz LRJJOGZJVVAGRZ-LKFCYVNXSA-N 2 2 285.338 0.632 20 0 CCADLP [NH3+][C@@]12CC[C@@](NC(=O)[C@H](CO)n3cc[nH+]c3)(C1)CCC2 ZINC001220775059 804664974 /nfs/dbraw/zinc/66/49/74/804664974.db2.gz GYHPUYFUBIALIL-FPMFFAJLSA-N 2 2 278.356 0.337 20 0 CCADLP O=C(NCCc1c[nH]c2cc[nH+]cc12)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220866201 804684183 /nfs/dbraw/zinc/68/41/83/804684183.db2.gz TVBDJHMNNSHGAZ-TUKIKUTGSA-N 3 2 299.378 0.172 20 0 CCADLP [NH3+]C1(C(=O)N[C@H]2CCCc3nccnc32)CC[NH2+]CC1 ZINC001220950626 804704779 /nfs/dbraw/zinc/70/47/79/804704779.db2.gz AKNBTCPPOKEYHS-NSHDSACASA-N 2 2 275.356 0.051 20 0 CCADLP CCCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001221161237 804737359 /nfs/dbraw/zinc/73/73/59/804737359.db2.gz BYZCJTKNPICYSE-KGLIPLIRSA-N 2 2 294.399 0.625 20 0 CCADLP CCCC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001221161237 804737364 /nfs/dbraw/zinc/73/73/64/804737364.db2.gz BYZCJTKNPICYSE-KGLIPLIRSA-N 2 2 294.399 0.625 20 0 CCADLP COc1cnccc1CCNC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001221338027 804781066 /nfs/dbraw/zinc/78/10/66/804781066.db2.gz VNTAOYQRIWAIQQ-GFCCVEGCSA-N 2 2 289.339 0.042 20 0 CCADLP CC(=O)Nc1ccc([C@@H](C)NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc1 ZINC001221338068 804781476 /nfs/dbraw/zinc/78/14/76/804781476.db2.gz WYVRNJDUSVAGSE-IUPBHXKESA-N 2 2 290.367 0.511 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H]1CCc2c1c(F)ccc2F ZINC001221363405 804786945 /nfs/dbraw/zinc/78/69/45/804786945.db2.gz MSWNMUKKIONZSW-KPXOXKRLSA-N 2 2 281.306 0.615 20 0 CCADLP CCOC(=O)[C@@]12C[N@H+](CCC[NH2+]C)C[C@@H]1C[NH2+]CCC2 ZINC001222124956 804873356 /nfs/dbraw/zinc/87/33/56/804873356.db2.gz BDBFBTLZPFJAAO-ZFWWWQNUSA-N 3 2 283.416 0.461 20 0 CCADLP CCOC(=O)[C@@]12C[N@@H+](CCC[NH2+]C)C[C@@H]1C[NH2+]CCC2 ZINC001222124956 804873363 /nfs/dbraw/zinc/87/33/63/804873363.db2.gz BDBFBTLZPFJAAO-ZFWWWQNUSA-N 3 2 283.416 0.461 20 0 CCADLP Nc1ncnc(Cl)c1C[NH+]1CCC(F)(C[NH3+])CC1 ZINC001222538000 804913151 /nfs/dbraw/zinc/91/31/51/804913151.db2.gz KMYUUKHNVZCPQM-UHFFFAOYSA-N 2 2 273.743 0.975 20 0 CCADLP CC[N@@H+]1CCC[C@H](OCC[NH+]2CCN(C)CC2)C1 ZINC001224549736 805049069 /nfs/dbraw/zinc/04/90/69/805049069.db2.gz PATYCIKYTLHXLU-AWEZNQCLSA-N 2 2 255.406 0.735 20 0 CCADLP CC[N@H+]1CCC[C@H](OCC[NH+]2CCN(C)CC2)C1 ZINC001224549736 805049076 /nfs/dbraw/zinc/04/90/76/805049076.db2.gz PATYCIKYTLHXLU-AWEZNQCLSA-N 2 2 255.406 0.735 20 0 CCADLP C[N@@H+]1[C@@H]2C[C@@H](OCCC[NH+]3CCOCC3)[C@H]1CC(=O)C2 ZINC001224870156 805085755 /nfs/dbraw/zinc/08/57/55/805085755.db2.gz LGSPCRIOFBEHLL-NWANDNLSSA-N 2 2 282.384 0.530 20 0 CCADLP C[N@H+]1[C@@H]2C[C@@H](OCCC[NH+]3CCOCC3)[C@H]1CC(=O)C2 ZINC001224870156 805085764 /nfs/dbraw/zinc/08/57/64/805085764.db2.gz LGSPCRIOFBEHLL-NWANDNLSSA-N 2 2 282.384 0.530 20 0 CCADLP C[C@@H](O)C[NH+]1CCC(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001225168462 805112502 /nfs/dbraw/zinc/11/25/02/805112502.db2.gz ZAYZQJGGIQLGAF-GFCCVEGCSA-N 2 2 294.399 0.172 20 0 CCADLP COCC[NH+]1CCC(NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001227138831 805326267 /nfs/dbraw/zinc/32/62/67/805326267.db2.gz SQRKEPDAYGSLMU-UHFFFAOYSA-N 2 2 280.372 0.569 20 0 CCADLP C[C@@H](O)CCC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001277267370 805412972 /nfs/dbraw/zinc/41/29/72/805412972.db2.gz VFNFWYZTPKXVSL-GFCCVEGCSA-N 2 2 280.372 0.283 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]CCCO ZINC001229327664 805521467 /nfs/dbraw/zinc/52/14/67/805521467.db2.gz WHECDHWTRQGMEH-VXGBXAGGSA-N 2 2 280.372 0.352 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001245980215 807105579 /nfs/dbraw/zinc/10/55/79/807105579.db2.gz HGKGNDYUUWJPCC-OWCLPIDISA-N 3 2 277.412 0.507 20 0 CCADLP CC1(C[NH3+])C[NH+](C[C@H](O)COCc2ccccc2)C1 ZINC001246037144 807130507 /nfs/dbraw/zinc/13/05/07/807130507.db2.gz UAUQZHWSOBPPQS-AWEZNQCLSA-N 2 2 264.369 0.845 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](C[C@H](O)COCC(F)(F)C(F)F)C1 ZINC001246068686 807139554 /nfs/dbraw/zinc/13/95/54/807139554.db2.gz IZKKQYOPDSOLQN-SFYZADRCSA-N 2 2 274.258 0.297 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](C[C@H](O)COCC(F)(F)C(F)F)C1 ZINC001246068686 807139560 /nfs/dbraw/zinc/13/95/60/807139560.db2.gz IZKKQYOPDSOLQN-SFYZADRCSA-N 2 2 274.258 0.297 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@@H](N[C@H]2CCCC[NH2+]C2)C[NH2+]1 ZINC001246088988 807150332 /nfs/dbraw/zinc/15/03/32/807150332.db2.gz AOKIZLPLVNURLA-OUCADQQQSA-N 2 2 269.389 0.402 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N[C@@H]2CCCC[NH2+]C2)C[NH2+]1 ZINC001246092546 807151104 /nfs/dbraw/zinc/15/11/04/807151104.db2.gz SOYZKWSMQKQANV-UPJWGTAASA-N 2 2 283.416 0.790 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[C@@H](C)C[NH2+]2)CN1 ZINC001246102264 807154356 /nfs/dbraw/zinc/15/43/56/807154356.db2.gz CFIMYOLOHCKPII-MQYQWHSLSA-N 2 2 283.416 0.648 20 0 CCADLP CCOC(=O)N1CC[C@H]([NH2+][C@H]2C[NH2+]CC23CC3)C1 ZINC001246128706 807160578 /nfs/dbraw/zinc/16/05/78/807160578.db2.gz FBUFKSDZNZVXIO-QWRGUYRKSA-N 2 2 253.346 0.559 20 0 CCADLP C([NH2+]C1CCC2(C[NH2+]C2)CC1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246152424 807168595 /nfs/dbraw/zinc/16/85/95/807168595.db2.gz YPCCIBUOUNTOQM-HNNXBMFYSA-N 4 2 292.471 0.982 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CO[C@]3(C2)CCC[NH2+]C3)C[NH2+]1 ZINC001246257841 807200338 /nfs/dbraw/zinc/20/03/38/807200338.db2.gz VDNLKNMBCTUFRP-RQJABVFESA-N 3 2 253.390 0.628 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C[NH3+])Cc2ccccc2)CN1 ZINC001246263427 807201947 /nfs/dbraw/zinc/20/19/47/807201947.db2.gz DMLUQAUXHILIGV-ZNMIVQPWSA-N 2 2 291.395 0.440 20 0 CCADLP CCC[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)[C@H](O)C(=O)NC1CC1 ZINC001246290113 807208650 /nfs/dbraw/zinc/20/86/50/807208650.db2.gz CFAGWJTXGOQDJQ-ZZVYKPCYSA-N 2 2 283.416 0.525 20 0 CCADLP CCOC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]C[C@@H]2CO)C1 ZINC001246296644 807212029 /nfs/dbraw/zinc/21/20/29/807212029.db2.gz BOUJYQBYXOTWOY-FVCCEPFGSA-N 2 2 270.373 0.278 20 0 CCADLP O=C1CC[NH2+]C[C@@H]1N[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001246296554 807212266 /nfs/dbraw/zinc/21/22/66/807212266.db2.gz XOHZYLYLNADIRL-OCCSQVGLSA-N 2 2 265.401 0.914 20 0 CCADLP O=C1CC[NH2+]C[C@@H]1N[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001246296554 807212271 /nfs/dbraw/zinc/21/22/71/807212271.db2.gz XOHZYLYLNADIRL-OCCSQVGLSA-N 2 2 265.401 0.914 20 0 CCADLP COc1cccc2c1CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1CO)C2 ZINC001246296771 807212821 /nfs/dbraw/zinc/21/28/21/807212821.db2.gz CKJVYDPMBOGVOU-KCQAQPDRSA-N 2 2 276.380 0.722 20 0 CCADLP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246299665 807212858 /nfs/dbraw/zinc/21/28/58/807212858.db2.gz MTIVKUPCBDRRDU-DSJMHWKBSA-N 3 2 295.427 0.649 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)C[NH2+]1 ZINC001246339843 807226545 /nfs/dbraw/zinc/22/65/45/807226545.db2.gz FMPOIKRUJSVKAT-QEYWKRMJSA-N 2 2 295.305 0.020 20 0 CCADLP CC(C)(C)[C@@H]1C[C@H]([NH2+]CCN2CC[NH2+]CC2=O)CC[NH2+]1 ZINC001246356346 807231954 /nfs/dbraw/zinc/23/19/54/807231954.db2.gz NJHJWBAJDMISOK-OLZOCXBDSA-N 3 2 282.432 0.175 20 0 CCADLP O=C(C1CCC1)N1CC[C@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC001246359936 807234144 /nfs/dbraw/zinc/23/41/44/807234144.db2.gz DPENYVOEZYWGTE-STQMWFEESA-N 2 2 251.374 0.729 20 0 CCADLP COCCC1([NH2+][C@@H]2CCC[NH2+]C2)CCS(=O)(=O)CC1 ZINC001246392330 807240063 /nfs/dbraw/zinc/24/00/63/807240063.db2.gz RWBCRZDXLBJHOK-GFCCVEGCSA-N 2 2 290.429 0.312 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](CCC[NH3+])C(=O)OC)C1 ZINC001246400223 807241654 /nfs/dbraw/zinc/24/16/54/807241654.db2.gz DVJCDPQRMTVCCF-WOPDTQHZSA-N 2 2 286.372 0.588 20 0 CCADLP CC[C@@]1(C(=O)OC)C[C@H](NC[C@H]2C[NH2+]CC(C)(C)O2)C[NH2+]1 ZINC001246414906 807246980 /nfs/dbraw/zinc/24/69/80/807246980.db2.gz UZFBTZOKDPOHDP-ZOWXZIJZSA-N 2 2 299.415 0.027 20 0 CCADLP C[C@H]1CC[C@H]([NH2+]C2(C)CCS(=O)(=O)CC2)C[NH2+]1 ZINC001246417703 807248563 /nfs/dbraw/zinc/24/85/63/807248563.db2.gz CFFWDHFNPAFEPJ-QWRGUYRKSA-N 2 2 260.403 0.684 20 0 CCADLP CC[C@@]1(C(=O)OC)C[C@H](N[C@H]2C[C@@H]([NH2+]C)C2)C[NH2+]1 ZINC001246495802 807264708 /nfs/dbraw/zinc/26/47/08/807264708.db2.gz LRJWVSLGIDTZSJ-NOHGZBONSA-N 2 2 255.362 0.010 20 0 CCADLP CC(C)(C)[C@@H]1C[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CC[NH2+]1 ZINC001246563160 807290013 /nfs/dbraw/zinc/29/00/13/807290013.db2.gz CGFMNCQDXFXEDK-LPWJVIDDSA-N 3 2 255.406 0.547 20 0 CCADLP CC(C)(C)[C@@H]1C[C@H]([N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)CC[NH2+]1 ZINC001246563160 807290017 /nfs/dbraw/zinc/29/00/17/807290017.db2.gz CGFMNCQDXFXEDK-LPWJVIDDSA-N 3 2 255.406 0.547 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CN1 ZINC001246565631 807292494 /nfs/dbraw/zinc/29/24/94/807292494.db2.gz CTCPLQMIUXOFCB-QCNOEVLYSA-N 2 2 273.352 0.041 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)CN1 ZINC001246565631 807292501 /nfs/dbraw/zinc/29/25/01/807292501.db2.gz CTCPLQMIUXOFCB-QCNOEVLYSA-N 2 2 273.352 0.041 20 0 CCADLP CC(C)[C@@H]1C[C@H]([N@@H+]2CCCC[C@@](O)(C[NH3+])C2)CC[NH2+]1 ZINC001246565905 807292702 /nfs/dbraw/zinc/29/27/02/807292702.db2.gz ZWQJLCPPHWSJPT-QLFBSQMISA-N 3 2 269.433 0.939 20 0 CCADLP CC(C)[C@@H]1C[C@H]([N@H+]2CCCC[C@@](O)(C[NH3+])C2)CC[NH2+]1 ZINC001246565905 807292710 /nfs/dbraw/zinc/29/27/10/807292710.db2.gz ZWQJLCPPHWSJPT-QLFBSQMISA-N 3 2 269.433 0.939 20 0 CCADLP CCOC(=O)[C@H]1CC[C@@H]([NH+]2CC(C)(C[NH3+])C2)CO1 ZINC001246599642 807314574 /nfs/dbraw/zinc/31/45/74/807314574.db2.gz PSOYZYYRPCRLDK-GHMZBOCLSA-N 2 2 256.346 0.378 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)CCN1 ZINC001246640373 807340725 /nfs/dbraw/zinc/34/07/25/807340725.db2.gz TXXKZGSJLYZJOP-FVCCEPFGSA-N 2 2 267.373 0.106 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@H]3[NH2+]CC[C@H]32)CCN1 ZINC001246640373 807340733 /nfs/dbraw/zinc/34/07/33/807340733.db2.gz TXXKZGSJLYZJOP-FVCCEPFGSA-N 2 2 267.373 0.106 20 0 CCADLP CC1(C)C[C@H]([N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CC[NH2+]1 ZINC001246642010 807343030 /nfs/dbraw/zinc/34/30/30/807343030.db2.gz KUIIVKNPSHHXRO-TZMCWYRMSA-N 3 2 252.406 0.154 20 0 CCADLP CC1(C)C[C@H]([N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)CC[NH2+]1 ZINC001246642010 807343038 /nfs/dbraw/zinc/34/30/38/807343038.db2.gz KUIIVKNPSHHXRO-TZMCWYRMSA-N 3 2 252.406 0.154 20 0 CCADLP C[C@@H]1C[C@H]([N@@H+]2CCO[C@@H]3C[C@@H](CO)C[C@@H]32)CC[NH2+]1 ZINC001246652789 807348186 /nfs/dbraw/zinc/34/81/86/807348186.db2.gz HPIJQXYZOGHPOW-XHJNMGKDSA-N 2 2 254.374 0.599 20 0 CCADLP C[C@@H]1C[C@H]([N@H+]2CCO[C@@H]3C[C@@H](CO)C[C@@H]32)CC[NH2+]1 ZINC001246652789 807348196 /nfs/dbraw/zinc/34/81/96/807348196.db2.gz HPIJQXYZOGHPOW-XHJNMGKDSA-N 2 2 254.374 0.599 20 0 CCADLP CC[N@@H+]1CCO[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]2C1 ZINC001246756704 807373613 /nfs/dbraw/zinc/37/36/13/807373613.db2.gz WYDNOORLRKQMQP-SRXPKIRMSA-N 3 2 279.428 0.922 20 0 CCADLP CC[N@H+]1CCO[C@@H]2C[NH+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]2C1 ZINC001246756704 807373618 /nfs/dbraw/zinc/37/36/18/807373618.db2.gz WYDNOORLRKQMQP-SRXPKIRMSA-N 3 2 279.428 0.922 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]2C1 ZINC001246756704 807373623 /nfs/dbraw/zinc/37/36/23/807373623.db2.gz WYDNOORLRKQMQP-SRXPKIRMSA-N 3 2 279.428 0.922 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@H+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]2C1 ZINC001246756704 807373629 /nfs/dbraw/zinc/37/36/29/807373629.db2.gz WYDNOORLRKQMQP-SRXPKIRMSA-N 3 2 279.428 0.922 20 0 CCADLP COC(=O)C1C[C@@H]2CC([N@@H+]3C[C@@H]4CC[C@@]4([NH3+])C3)C[C@H](C1)[NH2+]2 ZINC001246865151 807413047 /nfs/dbraw/zinc/41/30/47/807413047.db2.gz YCTBJQFBURJCIY-HQROOPOXSA-N 3 2 293.411 0.482 20 0 CCADLP COC(=O)C1C[C@@H]2CC([N@H+]3C[C@@H]4CC[C@@]4([NH3+])C3)C[C@H](C1)[NH2+]2 ZINC001246865151 807413051 /nfs/dbraw/zinc/41/30/51/807413051.db2.gz YCTBJQFBURJCIY-HQROOPOXSA-N 3 2 293.411 0.482 20 0 CCADLP COC(=O)C1C[C@@H]2CC([N@@H+]3C[C@H]4C[C@@]4([NH3+])C3)C[C@H](C1)[NH2+]2 ZINC001246865492 807413067 /nfs/dbraw/zinc/41/30/67/807413067.db2.gz CTPPHZXRRAIWOY-WFRQOZPASA-N 3 2 279.384 0.092 20 0 CCADLP COC(=O)C1C[C@@H]2CC([N@H+]3C[C@H]4C[C@@]4([NH3+])C3)C[C@H](C1)[NH2+]2 ZINC001246865492 807413069 /nfs/dbraw/zinc/41/30/69/807413069.db2.gz CTPPHZXRRAIWOY-WFRQOZPASA-N 3 2 279.384 0.092 20 0 CCADLP CCOC(=O)[C@H]1C[N@@H+](C2CC[NH2+]CC2)CCS1 ZINC001246917984 807429154 /nfs/dbraw/zinc/42/91/54/807429154.db2.gz PTBKVHAJEASPJL-LLVKDONJSA-N 2 2 258.387 0.719 20 0 CCADLP CCOC(=O)[C@H]1C[N@H+](C2CC[NH2+]CC2)CCS1 ZINC001246917984 807429159 /nfs/dbraw/zinc/42/91/59/807429159.db2.gz PTBKVHAJEASPJL-LLVKDONJSA-N 2 2 258.387 0.719 20 0 CCADLP COCC[N@H+]([C@@H]1CSC2(C[NH2+]C2)C1)[C@@H]1CCC[NH2+]C1 ZINC001246927634 807429803 /nfs/dbraw/zinc/42/98/03/807429803.db2.gz HOTDFXVZBXCCGI-OLZOCXBDSA-N 3 2 285.457 0.534 20 0 CCADLP COCC[N@@H+]([C@@H]1CSC2(C[NH2+]C2)C1)[C@@H]1CCC[NH2+]C1 ZINC001246927634 807429805 /nfs/dbraw/zinc/42/98/05/807429805.db2.gz HOTDFXVZBXCCGI-OLZOCXBDSA-N 3 2 285.457 0.534 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](C2CCC3(COC3)CC2)C[C@H]1[NH3+] ZINC001246931786 807431636 /nfs/dbraw/zinc/43/16/36/807431636.db2.gz OCCFFCPPGIOJFX-NWDGAFQWSA-N 2 2 268.357 0.378 20 0 CCADLP COC(=O)[C@H]1C[N@H+](C2CCC3(COC3)CC2)C[C@H]1[NH3+] ZINC001246931786 807431639 /nfs/dbraw/zinc/43/16/39/807431639.db2.gz OCCFFCPPGIOJFX-NWDGAFQWSA-N 2 2 268.357 0.378 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+]([C@@H]2C[C@@H]3[C@H](C2)C3(C)C)C[C@H]1[NH3+] ZINC001246933957 807433726 /nfs/dbraw/zinc/43/37/26/807433726.db2.gz UMLMEBXGZNKYEN-PZWNZHSQSA-N 2 2 252.358 0.853 20 0 CCADLP COC(=O)[C@@H]1C[N@H+]([C@@H]2C[C@@H]3[C@H](C2)C3(C)C)C[C@H]1[NH3+] ZINC001246933957 807433729 /nfs/dbraw/zinc/43/37/29/807433729.db2.gz UMLMEBXGZNKYEN-PZWNZHSQSA-N 2 2 252.358 0.853 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)O3)C[C@H]1[NH3+] ZINC001246937246 807435524 /nfs/dbraw/zinc/43/55/24/807435524.db2.gz MDGQZMVRRMSIBU-OLSMOAAXSA-N 2 2 254.330 0.129 20 0 CCADLP COC(=O)[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)O3)C[C@H]1[NH3+] ZINC001246937246 807435531 /nfs/dbraw/zinc/43/55/31/807435531.db2.gz MDGQZMVRRMSIBU-OLSMOAAXSA-N 2 2 254.330 0.129 20 0 CCADLP CC[N@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CN[C@](CC)(C(=O)OC)C1 ZINC001246949010 807438659 /nfs/dbraw/zinc/43/86/59/807438659.db2.gz RRISZJDFFJRERK-NFAWXSAZSA-N 2 2 283.416 0.602 20 0 CCADLP CC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CN[C@](CC)(C(=O)OC)C1 ZINC001246949010 807438665 /nfs/dbraw/zinc/43/86/65/807438665.db2.gz RRISZJDFFJRERK-NFAWXSAZSA-N 2 2 283.416 0.602 20 0 CCADLP N[C@@H](C[NH3+])c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001247683991 807477450 /nfs/dbraw/zinc/47/74/50/807477450.db2.gz GDFXXFABRSYENR-NSHDSACASA-N 2 2 270.296 0.881 20 0 CCADLP C[C@@]1(C[NH2+]CCCO)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001278505132 807512715 /nfs/dbraw/zinc/51/27/15/807512715.db2.gz QAJFBHDXXOFHHU-HNNXBMFYSA-N 2 2 294.399 0.553 20 0 CCADLP C[C@@]1(C[NH2+]CCCO)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001278505132 807512717 /nfs/dbraw/zinc/51/27/17/807512717.db2.gz QAJFBHDXXOFHHU-HNNXBMFYSA-N 2 2 294.399 0.553 20 0 CCADLP COCc1cccc(-c2noc(C[C@@H]([NH3+])C[NH3+])n2)c1 ZINC001249128815 807544999 /nfs/dbraw/zinc/54/49/99/807544999.db2.gz FPYKDADKDYXOQO-LLVKDONJSA-N 2 2 262.313 0.712 20 0 CCADLP Cc1cc(C)[nH+]c(NC[C@H](O)C[NH+]2CCOCC2)c1 ZINC001251001473 807633635 /nfs/dbraw/zinc/63/36/35/807633635.db2.gz JIXBIZBCAIUIMY-ZDUSSCGKSA-N 2 2 265.357 0.803 20 0 CCADLP CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)CO ZINC001252075372 807793886 /nfs/dbraw/zinc/79/38/86/807793886.db2.gz JDCZZDJMYOGMMC-ARFHVFGLSA-N 2 2 294.395 0.219 20 0 CCADLP CO[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)CO ZINC001252075372 807793895 /nfs/dbraw/zinc/79/38/95/807793895.db2.gz JDCZZDJMYOGMMC-ARFHVFGLSA-N 2 2 294.395 0.219 20 0 CCADLP CCCC[C@H](O)C[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001252096853 807795359 /nfs/dbraw/zinc/79/53/59/807795359.db2.gz LCTDCXFYZAHTCX-AWEZNQCLSA-N 2 2 255.406 0.469 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCOC1CCC1 ZINC001038116760 815148347 /nfs/dbraw/zinc/14/83/47/815148347.db2.gz MLTXORPWHFWDSR-HIFRSBDPSA-N 2 2 295.427 0.840 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCOC1CCC1 ZINC001038116760 815148351 /nfs/dbraw/zinc/14/83/51/815148351.db2.gz MLTXORPWHFWDSR-HIFRSBDPSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCOC1CCC1 ZINC001038116760 815148354 /nfs/dbraw/zinc/14/83/54/815148354.db2.gz MLTXORPWHFWDSR-HIFRSBDPSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCOC1CCC1 ZINC001038116760 815148357 /nfs/dbraw/zinc/14/83/57/815148357.db2.gz MLTXORPWHFWDSR-HIFRSBDPSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC(CO)([NH2+]C[C@H](O)c2ccc(F)cc2)CC1 ZINC001252870561 807980427 /nfs/dbraw/zinc/98/04/27/807980427.db2.gz KMWPMQQVHCVYCO-AWEZNQCLSA-N 2 2 282.359 0.905 20 0 CCADLP CN1CC([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001252943874 807987429 /nfs/dbraw/zinc/98/74/29/807987429.db2.gz NLUYKGVVBMDETG-INIZCTEOSA-N 2 2 275.396 0.527 20 0 CCADLP CN1CC([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001252943874 807987433 /nfs/dbraw/zinc/98/74/33/807987433.db2.gz NLUYKGVVBMDETG-INIZCTEOSA-N 2 2 275.396 0.527 20 0 CCADLP CC(C)([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(N)=O ZINC001252945987 807988815 /nfs/dbraw/zinc/98/88/15/807988815.db2.gz KXFKGUTVUQKYFD-INIZCTEOSA-N 2 2 291.395 0.477 20 0 CCADLP CC(C)([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(N)=O ZINC001252945987 807988821 /nfs/dbraw/zinc/98/88/21/807988821.db2.gz KXFKGUTVUQKYFD-INIZCTEOSA-N 2 2 291.395 0.477 20 0 CCADLP OC1(C[NH2+]Cc2ccc3[nH+]ccn3c2)CCOCC1 ZINC001252980297 807999230 /nfs/dbraw/zinc/99/92/30/807999230.db2.gz MZHDGJDMSZGAPJ-UHFFFAOYSA-N 2 2 261.325 0.965 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@H](CC(=O)OC)C1 ZINC001253191612 808024561 /nfs/dbraw/zinc/02/45/61/808024561.db2.gz AZHBSLKOJBWKLX-ZIAGYGMSSA-N 2 2 286.416 0.964 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@H](CC(=O)OC)C1 ZINC001253191612 808024570 /nfs/dbraw/zinc/02/45/70/808024570.db2.gz AZHBSLKOJBWKLX-ZIAGYGMSSA-N 2 2 286.416 0.964 20 0 CCADLP Cn1cnnc1C1CC[NH+](C[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253394872 808055365 /nfs/dbraw/zinc/05/53/65/808055365.db2.gz UIHKEFDIMSJYRH-CYBMUJFWSA-N 2 2 295.431 0.744 20 0 CCADLP Cc1ncncc1C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253411737 808063635 /nfs/dbraw/zinc/06/36/35/808063635.db2.gz USGNDZRLHDMGFR-LBPRGKRZSA-N 2 2 252.362 0.624 20 0 CCADLP Cc1[nH]c2c([nH+]1)CC[NH+](C[C@@H](O)C(=O)OC(C)(C)C)CC2 ZINC001253676514 808111100 /nfs/dbraw/zinc/11/11/00/808111100.db2.gz JSWOXGFCGHRMRC-CYBMUJFWSA-N 2 2 295.383 0.821 20 0 CCADLP CC(C)(C)[C@@H](O)C[NH2+]CCC(=O)NCCc1c[nH]c[nH+]1 ZINC001253747647 808131636 /nfs/dbraw/zinc/13/16/36/808131636.db2.gz ZVLMVFXVUKXZQQ-LBPRGKRZSA-N 2 2 282.388 0.455 20 0 CCADLP CC(C)(C)[C@@H](O)C[NH2+]CCC(=O)NCCc1c[nH+]c[nH]1 ZINC001253747647 808131639 /nfs/dbraw/zinc/13/16/39/808131639.db2.gz ZVLMVFXVUKXZQQ-LBPRGKRZSA-N 2 2 282.388 0.455 20 0 CCADLP CCCC[N@H+](C)CCC[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC001254315884 808203317 /nfs/dbraw/zinc/20/33/17/808203317.db2.gz QBSLFGFIILPOFQ-GFCCVEGCSA-N 2 2 262.419 0.885 20 0 CCADLP CCCC[N@@H+](C)CCC[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC001254315884 808203321 /nfs/dbraw/zinc/20/33/21/808203321.db2.gz QBSLFGFIILPOFQ-GFCCVEGCSA-N 2 2 262.419 0.885 20 0 CCADLP [NH3+]CCC(=O)NCCc1c[nH+]cn1[C@@H]1CCCOC1 ZINC001254370213 808225009 /nfs/dbraw/zinc/22/50/09/808225009.db2.gz NRBZLTYTSKKKHE-GFCCVEGCSA-N 2 2 266.345 0.242 20 0 CCADLP COC(=O)[C@H]([NH3+])Cc1cn([C@@H]2CCC[N@H+](C)CC2)cn1 ZINC001254514910 808250903 /nfs/dbraw/zinc/25/09/03/808250903.db2.gz QIRDIFOQBDDFTJ-CHWSQXEVSA-N 2 2 280.372 0.583 20 0 CCADLP COC(=O)[C@H]([NH3+])Cc1cn([C@@H]2CCC[N@@H+](C)CC2)cn1 ZINC001254514910 808250908 /nfs/dbraw/zinc/25/09/08/808250908.db2.gz QIRDIFOQBDDFTJ-CHWSQXEVSA-N 2 2 280.372 0.583 20 0 CCADLP CN1CCOC[C@H]1C[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254840255 808285315 /nfs/dbraw/zinc/28/53/15/808285315.db2.gz DYLQZQHYPULMSA-UONOGXRCSA-N 2 2 253.390 0.391 20 0 CCADLP CN(C[C@@H](O)C[NH2+]CCC1CC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001278823884 808295072 /nfs/dbraw/zinc/29/50/72/808295072.db2.gz UASQXOCTLRRMBQ-LBPRGKRZSA-N 2 2 280.372 0.161 20 0 CCADLP C[N@@H+]1CC[C@H](N[C@H]2CC[NH+](C3CCOCC3)C2)C1 ZINC001255421431 808358761 /nfs/dbraw/zinc/35/87/61/808358761.db2.gz KCYHRGAWBDKVER-STQMWFEESA-N 2 2 253.390 0.533 20 0 CCADLP C[N@H+]1CC[C@H](N[C@H]2CC[NH+](C3CCOCC3)C2)C1 ZINC001255421431 808358769 /nfs/dbraw/zinc/35/87/69/808358769.db2.gz KCYHRGAWBDKVER-STQMWFEESA-N 2 2 253.390 0.533 20 0 CCADLP C[NH+]1CC[C@H](N[C@H]2CC[N@@H+](C3CCOCC3)C2)C1 ZINC001255421431 808358779 /nfs/dbraw/zinc/35/87/79/808358779.db2.gz KCYHRGAWBDKVER-STQMWFEESA-N 2 2 253.390 0.533 20 0 CCADLP C[NH+]1CC[C@H](N[C@H]2CC[N@H+](C3CCOCC3)C2)C1 ZINC001255421431 808358788 /nfs/dbraw/zinc/35/87/88/808358788.db2.gz KCYHRGAWBDKVER-STQMWFEESA-N 2 2 253.390 0.533 20 0 CCADLP C[NH+]1CCC(CO)([NH2+]C2CCC3(CC2)OCCO3)CC1 ZINC001255620369 808413699 /nfs/dbraw/zinc/41/36/99/808413699.db2.gz BNSGLOLEFRMMHQ-UHFFFAOYSA-N 2 2 284.400 0.718 20 0 CCADLP CC(C)=CC[NH+]1CC(O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001278907052 808461465 /nfs/dbraw/zinc/46/14/65/808461465.db2.gz JYGUTUYHROBCAH-AWEZNQCLSA-N 2 2 295.427 0.457 20 0 CCADLP CC(C)=CC[NH+]1CC(O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001278907052 808461469 /nfs/dbraw/zinc/46/14/69/808461469.db2.gz JYGUTUYHROBCAH-AWEZNQCLSA-N 2 2 295.427 0.457 20 0 CCADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(=O)N1CCOCC1 ZINC001256316440 808490645 /nfs/dbraw/zinc/49/06/45/808490645.db2.gz RONYNSUBGPBDTQ-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(=O)N1CCOCC1 ZINC001256316440 808490648 /nfs/dbraw/zinc/49/06/48/808490648.db2.gz RONYNSUBGPBDTQ-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP CC(C)[NH+]1CCC([NH+]2CC(C(=O)N(C)C)C2)CC1 ZINC001257216798 808598095 /nfs/dbraw/zinc/59/80/95/808598095.db2.gz IWWWSCLLHRLFJN-UHFFFAOYSA-N 2 2 253.390 0.879 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH2+]CC2C[NH+](C)C2)C[C@H]1C(=O)OC ZINC001257725094 808631720 /nfs/dbraw/zinc/63/17/20/808631720.db2.gz ZVVJGWPBTIYMHI-YNEHKIRRSA-N 2 2 298.383 0.269 20 0 CCADLP CCC[NH+]1CCC([NH+]2CCC(O)(C(=O)OC)CC2)CC1 ZINC001258777275 808701564 /nfs/dbraw/zinc/70/15/64/808701564.db2.gz OTSPPXFVQFGDBV-UHFFFAOYSA-N 2 2 284.400 0.861 20 0 CCADLP [NH3+]CCOCC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001261457387 808982441 /nfs/dbraw/zinc/98/24/41/808982441.db2.gz IAXQTBJVFJUOMF-SNVBAGLBSA-N 2 2 252.318 0.091 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001261782222 809086968 /nfs/dbraw/zinc/08/69/68/809086968.db2.gz AAMKSJIODITEEH-QWRGUYRKSA-N 2 2 250.346 0.417 20 0 CCADLP Cc1cc(C)c(CNC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)c[nH+]1 ZINC001261819079 809096197 /nfs/dbraw/zinc/09/61/97/809096197.db2.gz PMJLZHIOSYAIFX-WCQYABFASA-N 2 2 290.367 0.181 20 0 CCADLP C[NH2+][C@@H](C)CC[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC001262162814 809213176 /nfs/dbraw/zinc/21/31/76/809213176.db2.gz ZBCDDMDZVUWDCZ-NWDGAFQWSA-N 3 2 266.393 0.290 20 0 CCADLP CN1CC[NH+](C[C@@H](O)CNCC[N@@H+]2CCCC2(C)C)CC1 ZINC001262570552 809348677 /nfs/dbraw/zinc/34/86/77/809348677.db2.gz YPLAWKOTYMFQEG-HNNXBMFYSA-N 2 2 298.475 0.059 20 0 CCADLP CN1CC[NH+](C[C@@H](O)CNCC[N@H+]2CCCC2(C)C)CC1 ZINC001262570552 809348682 /nfs/dbraw/zinc/34/86/82/809348682.db2.gz YPLAWKOTYMFQEG-HNNXBMFYSA-N 2 2 298.475 0.059 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)CCSCCC[NH3+])CCO1 ZINC001263098233 809442599 /nfs/dbraw/zinc/44/25/99/809442599.db2.gz WQMNNWCJRVGFNC-GFCCVEGCSA-N 2 2 289.445 0.295 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)CCSCCC[NH3+])CCO1 ZINC001263098233 809442603 /nfs/dbraw/zinc/44/26/03/809442603.db2.gz WQMNNWCJRVGFNC-GFCCVEGCSA-N 2 2 289.445 0.295 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H](C)C[NH2+]C ZINC001263199110 809479040 /nfs/dbraw/zinc/47/90/40/809479040.db2.gz WQETYTCWGRGSGI-NEPJUHHUSA-N 2 2 257.378 0.069 20 0 CCADLP CC1(C)CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)[NH2+]C1 ZINC001263171565 809470048 /nfs/dbraw/zinc/47/00/48/809470048.db2.gz VITUVVAHXFUVOF-SNVBAGLBSA-N 2 2 250.346 0.847 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001263205828 809481323 /nfs/dbraw/zinc/48/13/23/809481323.db2.gz JWFJFGXQFOGPKA-TZMCWYRMSA-N 2 2 262.357 0.909 20 0 CCADLP CC[C@H](C(=O)NCCC[N@H+](C)Cc1nncn1C)[NH+](C)C ZINC001265059706 809701476 /nfs/dbraw/zinc/70/14/76/809701476.db2.gz GSNANBPIEXSKMC-GFCCVEGCSA-N 2 2 296.419 0.093 20 0 CCADLP CC[C@H](C(=O)NCCC[N@@H+](C)Cc1nncn1C)[NH+](C)C ZINC001265059706 809701478 /nfs/dbraw/zinc/70/14/78/809701478.db2.gz GSNANBPIEXSKMC-GFCCVEGCSA-N 2 2 296.419 0.093 20 0 CCADLP COCCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001265456985 809782706 /nfs/dbraw/zinc/78/27/06/809782706.db2.gz NUMKFZDWKXYDCB-ZDUSSCGKSA-N 2 2 294.399 0.580 20 0 CCADLP COCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001076633387 815323226 /nfs/dbraw/zinc/32/32/26/815323226.db2.gz LOBGZAHTHGNAQH-QWHCGFSZSA-N 2 2 278.356 0.062 20 0 CCADLP COCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001076633387 815323232 /nfs/dbraw/zinc/32/32/32/815323232.db2.gz LOBGZAHTHGNAQH-QWHCGFSZSA-N 2 2 278.356 0.062 20 0 CCADLP C[C@@H](F)CC[NH2+][C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001265829977 809867111 /nfs/dbraw/zinc/86/71/11/809867111.db2.gz LUHSVFKQMXGFOK-NXEZZACHSA-N 2 2 256.325 0.795 20 0 CCADLP Cc1nnc([C@H](C)[N@H+](C)CCCNC(=O)CC[NH+](C)C)[nH]1 ZINC001265917180 809893098 /nfs/dbraw/zinc/89/30/98/809893098.db2.gz FYMMOEHIUBVJTK-NSHDSACASA-N 2 2 296.419 0.564 20 0 CCADLP Cc1nnc([C@H](C)[N@@H+](C)CCCNC(=O)CC[NH+](C)C)[nH]1 ZINC001265917180 809893104 /nfs/dbraw/zinc/89/31/04/809893104.db2.gz FYMMOEHIUBVJTK-NSHDSACASA-N 2 2 296.419 0.564 20 0 CCADLP COCC[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC001280522265 810027959 /nfs/dbraw/zinc/02/79/59/810027959.db2.gz MGEDSMAUOCCFBJ-GFCCVEGCSA-N 2 2 294.399 0.863 20 0 CCADLP COCC[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC001280522265 810027967 /nfs/dbraw/zinc/02/79/67/810027967.db2.gz MGEDSMAUOCCFBJ-GFCCVEGCSA-N 2 2 294.399 0.863 20 0 CCADLP NC[C@@H]([NH3+])c1ccc(C(=O)N2CC[N@H+]3CC[C@@H]3C2)cc1 ZINC001161424119 811487458 /nfs/dbraw/zinc/48/74/58/811487458.db2.gz ZDQKWPNGCWFPKL-ZIAGYGMSSA-N 2 2 274.368 0.175 20 0 CCADLP C[NH+]1CCN(C2CC[NH+](Cc3cnco3)CC2)CC1 ZINC001140931382 811556654 /nfs/dbraw/zinc/55/66/54/811556654.db2.gz HZWPRGFJHPKQDZ-UHFFFAOYSA-N 2 2 264.373 0.886 20 0 CCADLP Cc1cc2c(ncnc2NC(=O)[C@@H]([NH3+])CC[NH3+])s1 ZINC001218502652 811573661 /nfs/dbraw/zinc/57/36/61/811573661.db2.gz WEPIZYNTVITVTB-QMMMGPOBSA-N 2 2 265.342 0.614 20 0 CCADLP O=C(N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)C1(F)C[NH2+]C1 ZINC001220158851 811716890 /nfs/dbraw/zinc/71/68/90/811716890.db2.gz IVEMIBJSGKMYIV-ZYHUDNBSSA-N 2 2 255.337 0.336 20 0 CCADLP C[C@H](O)C[NH2+]CC1(CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001167737217 811764952 /nfs/dbraw/zinc/76/49/52/811764952.db2.gz ORBACZXPOAZEMP-LBPRGKRZSA-N 2 2 294.399 0.220 20 0 CCADLP COCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001267965269 811901425 /nfs/dbraw/zinc/90/14/25/811901425.db2.gz AAGOODIGCHBYIU-GXTWGEPZSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001267965269 811901428 /nfs/dbraw/zinc/90/14/28/811901428.db2.gz AAGOODIGCHBYIU-GXTWGEPZSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)C[NH2+]CCF ZINC001268010684 811948135 /nfs/dbraw/zinc/94/81/35/811948135.db2.gz DHZLQFCRHGFUSV-LLVKDONJSA-N 2 2 270.352 0.664 20 0 CCADLP CCN1CCC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1=O ZINC000722347885 812131296 /nfs/dbraw/zinc/13/12/96/812131296.db2.gz VWSUBEXRNXBPJE-QWHCGFSZSA-N 2 2 269.389 0.042 20 0 CCADLP CCN1CCC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1=O ZINC000722347885 812131300 /nfs/dbraw/zinc/13/13/00/812131300.db2.gz VWSUBEXRNXBPJE-QWHCGFSZSA-N 2 2 269.389 0.042 20 0 CCADLP [NH2+]=C(Nc1ccc(CN2CCOCC2)nc1)SCC[NH3+] ZINC001167912114 812591998 /nfs/dbraw/zinc/59/19/98/812591998.db2.gz KVUALIDSVYVDII-UHFFFAOYSA-N 2 2 295.412 0.952 20 0 CCADLP CCc1cccnc1-c1noc([C@H]2C[NH2+]C[C@@H]2[NH3+])n1 ZINC001211757657 812688317 /nfs/dbraw/zinc/68/83/17/812688317.db2.gz JRGGTCBCJVRVOM-UWVGGRQHSA-N 2 2 259.313 0.708 20 0 CCADLP C[C@@H](O)C[NH2+]CC=CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001268554201 812793147 /nfs/dbraw/zinc/79/31/47/812793147.db2.gz ARMGBHTTZAMTMX-KXMPLOMGSA-N 2 2 288.351 0.819 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC/C=C/C[NH2+]CCF ZINC001268593043 812886560 /nfs/dbraw/zinc/88/65/60/812886560.db2.gz OVXDSTNFBHHOJY-JGLYPNHGSA-N 2 2 280.347 0.755 20 0 CCADLP C(C[NH+]1CCOCC1)N1CC[NH+]([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167938300 812921386 /nfs/dbraw/zinc/92/13/86/812921386.db2.gz DGVJRTYJQUFQQD-ZSHCYNCHSA-N 2 2 279.428 0.735 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC/C=C/C[NH2+]CC1CC1 ZINC001268616931 812949989 /nfs/dbraw/zinc/94/99/89/812949989.db2.gz FMDOLRQHGWFRSZ-NSCUHMNNSA-N 2 2 262.357 0.933 20 0 CCADLP Cc1nc(C[NH2+]C/C=C/CNC(=O)[C@H]2CC[N@@H+](C)C2)co1 ZINC001268627774 812952615 /nfs/dbraw/zinc/95/26/15/812952615.db2.gz XGXWUPLMMLKLQD-OOPCZODUSA-N 2 2 292.383 0.697 20 0 CCADLP Cc1nc(C[NH2+]C/C=C/CNC(=O)[C@H]2CC[N@H+](C)C2)co1 ZINC001268627774 812952618 /nfs/dbraw/zinc/95/26/18/812952618.db2.gz XGXWUPLMMLKLQD-OOPCZODUSA-N 2 2 292.383 0.697 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(O)(C(C)C)CC1 ZINC000710626472 813183763 /nfs/dbraw/zinc/18/37/63/813183763.db2.gz LYMDSELHHRFDTO-CYBMUJFWSA-N 2 2 258.406 0.782 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(O)(C(C)C)CC1 ZINC000710626472 813183767 /nfs/dbraw/zinc/18/37/67/813183767.db2.gz LYMDSELHHRFDTO-CYBMUJFWSA-N 2 2 258.406 0.782 20 0 CCADLP CC(C)[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001269150128 813239901 /nfs/dbraw/zinc/23/99/01/813239901.db2.gz ZNMYPROJTKEWLC-LBPRGKRZSA-N 2 2 250.346 0.776 20 0 CCADLP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H](C)COC ZINC001269476811 813384949 /nfs/dbraw/zinc/38/49/49/813384949.db2.gz HRFGGECUKGTBGG-MNOVXSKESA-N 2 2 268.361 0.472 20 0 CCADLP COCCC[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001269812998 813518653 /nfs/dbraw/zinc/51/86/53/813518653.db2.gz ZWWXVEBXSIHNQU-CQSZACIVSA-N 2 2 283.416 0.650 20 0 CCADLP COCCC[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001269812998 813518657 /nfs/dbraw/zinc/51/86/57/813518657.db2.gz ZWWXVEBXSIHNQU-CQSZACIVSA-N 2 2 283.416 0.650 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC2(C1)C[NH+](C1CCCC1)C2 ZINC001269842184 813526644 /nfs/dbraw/zinc/52/66/44/813526644.db2.gz OJKPHFAAZMRGOA-UHFFFAOYSA-N 2 2 274.368 0.970 20 0 CCADLP O=C1[C@H]([N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CCN1C1CCOCC1 ZINC000428030890 813733118 /nfs/dbraw/zinc/73/31/18/813733118.db2.gz FQRNJKHJEAHDSA-BPLDGKMQSA-N 2 2 293.411 0.450 20 0 CCADLP O=C1[C@H]([N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CCN1C1CCOCC1 ZINC000428030890 813733123 /nfs/dbraw/zinc/73/31/23/813733123.db2.gz FQRNJKHJEAHDSA-BPLDGKMQSA-N 2 2 293.411 0.450 20 0 CCADLP C[NH+]1CC2(CN(C(=O)[C@@H]3CCCc4c[nH+]cn43)C2)C1 ZINC001270384850 813741622 /nfs/dbraw/zinc/74/16/22/813741622.db2.gz ZNLHVZJRCCOOIK-LBPRGKRZSA-N 2 2 260.341 0.535 20 0 CCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)N2C(=O)CCc1[nH]cc[nH+]1 ZINC001270463886 813773346 /nfs/dbraw/zinc/77/33/46/813773346.db2.gz WDSSLDIWKULZAB-BETUJISGSA-N 2 2 291.399 0.189 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCn1cccn1 ZINC001038102915 814085905 /nfs/dbraw/zinc/08/59/05/814085905.db2.gz FVIKOJFSUSYMHW-ZIAGYGMSSA-N 2 2 291.399 0.168 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1CCn1cccn1 ZINC001038102915 814085912 /nfs/dbraw/zinc/08/59/12/814085912.db2.gz FVIKOJFSUSYMHW-ZIAGYGMSSA-N 2 2 291.399 0.168 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1CCn1cccn1 ZINC001038102915 814085920 /nfs/dbraw/zinc/08/59/20/814085920.db2.gz FVIKOJFSUSYMHW-ZIAGYGMSSA-N 2 2 291.399 0.168 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CCn1cccn1 ZINC001038102915 814085925 /nfs/dbraw/zinc/08/59/25/814085925.db2.gz FVIKOJFSUSYMHW-ZIAGYGMSSA-N 2 2 291.399 0.168 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CCOC ZINC001087847836 814235550 /nfs/dbraw/zinc/23/55/50/814235550.db2.gz UIKIZIQTTLEOPH-QWHCGFSZSA-N 2 2 280.372 0.499 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CCOC ZINC001087847836 814235557 /nfs/dbraw/zinc/23/55/57/814235557.db2.gz UIKIZIQTTLEOPH-QWHCGFSZSA-N 2 2 280.372 0.499 20 0 CCADLP CCOCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001271458749 814453637 /nfs/dbraw/zinc/45/36/37/814453637.db2.gz PHBGNHNVQYVZEU-KGLIPLIRSA-N 2 2 294.399 0.746 20 0 CCADLP C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)[C@H]1CC[NH+]1C(C)(C)C ZINC001271975129 814658597 /nfs/dbraw/zinc/65/85/97/814658597.db2.gz CMJLWMOGDZEFLL-GRYCIOLGSA-N 2 2 251.374 0.774 20 0 CCADLP C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)[C@H]1CC[NH+]1C(C)(C)C ZINC001271975129 814658601 /nfs/dbraw/zinc/65/86/01/814658601.db2.gz CMJLWMOGDZEFLL-GRYCIOLGSA-N 2 2 251.374 0.774 20 0 CCADLP C[NH+]1C[C@H]2C[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC001271975129 814658605 /nfs/dbraw/zinc/65/86/05/814658605.db2.gz CMJLWMOGDZEFLL-GRYCIOLGSA-N 2 2 251.374 0.774 20 0 CCADLP C[NH+]1C[C@H]2C[C@@H](C1)N2C(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC001271975129 814658608 /nfs/dbraw/zinc/65/86/08/814658608.db2.gz CMJLWMOGDZEFLL-GRYCIOLGSA-N 2 2 251.374 0.774 20 0 CCADLP CC1CC(C[NH+]2CC(NC(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001030180636 815871014 /nfs/dbraw/zinc/87/10/14/815871014.db2.gz UJUBBHOLGGEISU-YIZWMMSDSA-N 2 2 281.400 0.164 20 0 CCADLP CC1CC(C[NH+]2CC(NC(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001030180636 815871019 /nfs/dbraw/zinc/87/10/19/815871019.db2.gz UJUBBHOLGGEISU-YIZWMMSDSA-N 2 2 281.400 0.164 20 0 CCADLP [NH3+][C@@H]1COC[C@H]1[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168405428 815998879 /nfs/dbraw/zinc/99/88/79/815998879.db2.gz RVEDKUHLGBRLDN-BFHYXJOUSA-N 2 2 250.317 0.999 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC1C[NH+](CCCO)C1 ZINC001030444226 816041765 /nfs/dbraw/zinc/04/17/65/816041765.db2.gz FZVWUKONHPFBKR-CQSZACIVSA-N 2 2 283.416 0.432 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC1C[NH+](CCCO)C1 ZINC001030444226 816041771 /nfs/dbraw/zinc/04/17/71/816041771.db2.gz FZVWUKONHPFBKR-CQSZACIVSA-N 2 2 283.416 0.432 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2C[NH+](CCC3CC3)C2)O1 ZINC001030516154 816080508 /nfs/dbraw/zinc/08/05/08/816080508.db2.gz WFWJWDKASMXDFF-BXUZGUMPSA-N 2 2 281.400 0.306 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2C[NH+](CCC3CC3)C2)O1 ZINC001030516154 816080515 /nfs/dbraw/zinc/08/05/15/816080515.db2.gz WFWJWDKASMXDFF-BXUZGUMPSA-N 2 2 281.400 0.306 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC1C[NH+](C[C@@H]2CC[C@@H](C)O2)C1 ZINC001030684076 816216010 /nfs/dbraw/zinc/21/60/10/816216010.db2.gz KQVOEDUSMFEYIL-OCCSQVGLSA-N 2 2 292.383 0.559 20 0 CCADLP CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001089146104 816278655 /nfs/dbraw/zinc/27/86/55/816278655.db2.gz SPCCXWHPDQDQPN-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001089146104 816278658 /nfs/dbraw/zinc/27/86/58/816278658.db2.gz SPCCXWHPDQDQPN-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001089146104 816278661 /nfs/dbraw/zinc/27/86/61/816278661.db2.gz SPCCXWHPDQDQPN-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001089146104 816278666 /nfs/dbraw/zinc/27/86/66/816278666.db2.gz SPCCXWHPDQDQPN-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP C[N@@H+]1CCC2(CN(C(=O)Cc3cc[nH+]c(N)c3)C2)C1 ZINC001272304545 816289949 /nfs/dbraw/zinc/28/99/49/816289949.db2.gz UAAYDEWLYZWPHH-UHFFFAOYSA-N 2 2 260.341 0.370 20 0 CCADLP C[N@H+]1CCC2(CN(C(=O)Cc3cc[nH+]c(N)c3)C2)C1 ZINC001272304545 816289955 /nfs/dbraw/zinc/28/99/55/816289955.db2.gz UAAYDEWLYZWPHH-UHFFFAOYSA-N 2 2 260.341 0.370 20 0 CCADLP CCC[NH+]1CC(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001030859238 816355476 /nfs/dbraw/zinc/35/54/76/816355476.db2.gz OQCHQLRKADSNJV-LBPRGKRZSA-N 2 2 276.384 0.964 20 0 CCADLP CC[N@@H+]1CC[C@@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001272446680 816438220 /nfs/dbraw/zinc/43/82/20/816438220.db2.gz RREZAAAEVFMOAB-CQSZACIVSA-N 2 2 278.356 0.243 20 0 CCADLP CC[N@H+]1CC[C@@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001272446680 816438225 /nfs/dbraw/zinc/43/82/25/816438225.db2.gz RREZAAAEVFMOAB-CQSZACIVSA-N 2 2 278.356 0.243 20 0 CCADLP c1nc2c(c(NCC3([NH+]4CCCC4)COC3)n1)C[NH2+]CC2 ZINC001168442674 816466589 /nfs/dbraw/zinc/46/65/89/816466589.db2.gz PQBGBYDYDZYWNJ-UHFFFAOYSA-N 2 2 289.383 0.399 20 0 CCADLP COCC[NH+]1CC(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001031188225 816767735 /nfs/dbraw/zinc/76/77/35/816767735.db2.gz FPCYBBQXBDPLFQ-UHFFFAOYSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]CCF ZINC001106499111 816791791 /nfs/dbraw/zinc/79/17/91/816791791.db2.gz ZHIBWJVGVNGIOI-CHWSQXEVSA-N 2 2 282.363 0.927 20 0 CCADLP CCCC[NH+]1CC(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001031389998 817024703 /nfs/dbraw/zinc/02/47/03/817024703.db2.gz FGDKKPFZTQSUCJ-UHFFFAOYSA-N 2 2 250.346 0.792 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC1C[NH+](CC2CCOCC2)C1 ZINC001031390493 817025501 /nfs/dbraw/zinc/02/55/01/817025501.db2.gz PBMHDKIHJOBLNQ-UHFFFAOYSA-N 2 2 292.383 0.419 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC1C[NH+](CC[C@H]2CCCO2)C1 ZINC001031391714 817027486 /nfs/dbraw/zinc/02/74/86/817027486.db2.gz LTLPRXZKPFQYOF-CQSZACIVSA-N 2 2 292.383 0.561 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1ccc(N)[nH+]c1C ZINC001236200856 817166876 /nfs/dbraw/zinc/16/68/76/817166876.db2.gz LATIOUPCEBVQIR-QWRGUYRKSA-N 2 2 264.329 0.047 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001031713508 817278566 /nfs/dbraw/zinc/27/85/66/817278566.db2.gz AGUHYDSKFUOTPE-ZDUSSCGKSA-N 2 2 271.380 0.878 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001031713508 817278573 /nfs/dbraw/zinc/27/85/73/817278573.db2.gz AGUHYDSKFUOTPE-ZDUSSCGKSA-N 2 2 271.380 0.878 20 0 CCADLP CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@@H](O)C1 ZINC001083768424 817426850 /nfs/dbraw/zinc/42/68/50/817426850.db2.gz ALCGYNYRBUMNJL-UHTWSYAYSA-N 2 2 292.383 0.401 20 0 CCADLP CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@@H](O)C1 ZINC001083768424 817426853 /nfs/dbraw/zinc/42/68/53/817426853.db2.gz ALCGYNYRBUMNJL-UHTWSYAYSA-N 2 2 292.383 0.401 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C[NH2+]C[C@@H](C)O)[C@H](C)C1 ZINC001106922849 817446696 /nfs/dbraw/zinc/44/66/96/817446696.db2.gz PBAGLUUYCGFGJN-NQBHXWOUSA-N 2 2 294.399 0.326 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2csnn2)CC[N@@H+]1C ZINC001127695145 817463490 /nfs/dbraw/zinc/46/34/90/817463490.db2.gz CBELDENEJZJVGV-NWDGAFQWSA-N 2 2 297.428 0.474 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2csnn2)CC[N@H+]1C ZINC001127695145 817463494 /nfs/dbraw/zinc/46/34/94/817463494.db2.gz CBELDENEJZJVGV-NWDGAFQWSA-N 2 2 297.428 0.474 20 0 CCADLP COC(=O)c1c[nH+]ccc1NCCCN1CC[NH+](C)CC1 ZINC001161710601 817606279 /nfs/dbraw/zinc/60/62/79/817606279.db2.gz TXSPXOBPOXJKPJ-UHFFFAOYSA-N 2 2 292.383 0.340 20 0 CCADLP CC[NH+]1CC(CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001032123134 817650767 /nfs/dbraw/zinc/65/07/67/817650767.db2.gz QBVHEQSLWXYWGU-UHFFFAOYSA-N 2 2 285.351 0.949 20 0 CCADLP COCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001107079167 817717234 /nfs/dbraw/zinc/71/72/34/817717234.db2.gz VUWSBDCHNWAJES-CHWSQXEVSA-N 2 2 280.372 0.214 20 0 CCADLP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001077583663 817765469 /nfs/dbraw/zinc/76/54/69/817765469.db2.gz HHDSTGJZZNBUAX-CHWSQXEVSA-N 2 2 295.383 0.525 20 0 CCADLP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001077583663 817765473 /nfs/dbraw/zinc/76/54/73/817765473.db2.gz HHDSTGJZZNBUAX-CHWSQXEVSA-N 2 2 295.383 0.525 20 0 CCADLP C[C@H](F)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001032814532 818034937 /nfs/dbraw/zinc/03/49/37/818034937.db2.gz AONMUZYMCLGOQQ-AVGNSLFASA-N 2 2 280.347 0.916 20 0 CCADLP C[C@H](F)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1 ZINC001032814532 818034941 /nfs/dbraw/zinc/03/49/41/818034941.db2.gz AONMUZYMCLGOQQ-AVGNSLFASA-N 2 2 280.347 0.916 20 0 CCADLP CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001078825598 818057550 /nfs/dbraw/zinc/05/75/50/818057550.db2.gz DMDQBBNORVAJBS-NWDGAFQWSA-N 2 2 262.357 0.920 20 0 CCADLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCF)C1 ZINC001032960503 818388977 /nfs/dbraw/zinc/38/89/77/818388977.db2.gz VGEKUTYRVBLIJG-RYUDHWBXSA-N 2 2 257.353 0.583 20 0 CCADLP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](CCF)C1 ZINC001032960503 818388986 /nfs/dbraw/zinc/38/89/86/818388986.db2.gz VGEKUTYRVBLIJG-RYUDHWBXSA-N 2 2 257.353 0.583 20 0 CCADLP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](CCF)C1 ZINC001032960503 818388992 /nfs/dbraw/zinc/38/89/92/818388992.db2.gz VGEKUTYRVBLIJG-RYUDHWBXSA-N 2 2 257.353 0.583 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2nccnc2Cl)CC1 ZINC001168735926 818540875 /nfs/dbraw/zinc/54/08/75/818540875.db2.gz IKHKJTQMVFXCHA-UHFFFAOYSA-N 2 2 254.725 0.724 20 0 CCADLP COC(=O)c1c(F)cncc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168736221 818543922 /nfs/dbraw/zinc/54/39/22/818543922.db2.gz CLOXOKJGGZMEAU-UHFFFAOYSA-N 2 2 295.318 0.601 20 0 CCADLP CCOc1cc(NC(=[NH2+])N2CC[NH+](C)CC2)nc(C)n1 ZINC001168736434 818548141 /nfs/dbraw/zinc/54/81/41/818548141.db2.gz MFPGUOPYONNZOE-UHFFFAOYSA-N 2 2 278.360 0.778 20 0 CCADLP COC(=O)c1cnc(NC(=[NH2+])N2CC[NH+](C)CC2)cc1C ZINC001168737399 818564886 /nfs/dbraw/zinc/56/48/86/818564886.db2.gz UQMACSOCSZIDJA-UHFFFAOYSA-N 2 2 291.355 0.771 20 0 CCADLP Cc1cc(NC(=[NH2+])N2CC[NH+](C)CC2)c(=O)n(C)c1 ZINC001168746501 818628529 /nfs/dbraw/zinc/62/85/29/818628529.db2.gz SNURUXAHPBSYSA-UHFFFAOYSA-N 2 2 263.345 0.288 20 0 CCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CC[NH+](CCF)C1 ZINC001033422721 818769863 /nfs/dbraw/zinc/76/98/63/818769863.db2.gz IKIOUTRCYFAXQQ-OLZOCXBDSA-N 2 2 271.380 0.973 20 0 CCADLP C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@H]1CC[NH+](CCF)C1 ZINC001033422721 818769867 /nfs/dbraw/zinc/76/98/67/818769867.db2.gz IKIOUTRCYFAXQQ-OLZOCXBDSA-N 2 2 271.380 0.973 20 0 CCADLP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@H+](CCF)C1 ZINC001033422721 818769874 /nfs/dbraw/zinc/76/98/74/818769874.db2.gz IKIOUTRCYFAXQQ-OLZOCXBDSA-N 2 2 271.380 0.973 20 0 CCADLP C[C@@H]1CCC[NH+]1CC(=O)N(C)[C@H]1CC[N@@H+](CCF)C1 ZINC001033422721 818769875 /nfs/dbraw/zinc/76/98/75/818769875.db2.gz IKIOUTRCYFAXQQ-OLZOCXBDSA-N 2 2 271.380 0.973 20 0 CCADLP CC[C@@H](C[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1)OC ZINC001033704479 818892119 /nfs/dbraw/zinc/89/21/19/818892119.db2.gz VTFGDYYGTDDAAA-KGLIPLIRSA-N 2 2 294.399 0.841 20 0 CCADLP CC[C@@H](C[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1)OC ZINC001033704479 818892126 /nfs/dbraw/zinc/89/21/26/818892126.db2.gz VTFGDYYGTDDAAA-KGLIPLIRSA-N 2 2 294.399 0.841 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+]C[C@@H]1CCCCO1 ZINC001128967771 819238199 /nfs/dbraw/zinc/23/81/99/819238199.db2.gz ZXAGJFBYYPTMKV-ZDUSSCGKSA-N 2 2 280.372 0.617 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC[NH2+]C[C@@H]1CCCCO1 ZINC001128967771 819238205 /nfs/dbraw/zinc/23/82/05/819238205.db2.gz ZXAGJFBYYPTMKV-ZDUSSCGKSA-N 2 2 280.372 0.617 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001034744339 819319153 /nfs/dbraw/zinc/31/91/53/819319153.db2.gz RIAXSXXPPJPFFO-SRVKXCTJSA-N 2 2 280.372 0.350 20 0 CCADLP CC[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001034955419 819369640 /nfs/dbraw/zinc/36/96/40/819369640.db2.gz FJRSPWQUQZZFOS-GFCCVEGCSA-N 2 2 250.346 0.943 20 0 CCADLP CC[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001034955419 819369642 /nfs/dbraw/zinc/36/96/42/819369642.db2.gz FJRSPWQUQZZFOS-GFCCVEGCSA-N 2 2 250.346 0.943 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC2(CC[N@@H+](CCO)C2)CC1 ZINC001035242041 819424972 /nfs/dbraw/zinc/42/49/72/819424972.db2.gz UYTPKDVGYDLZFD-UHFFFAOYSA-N 2 2 292.383 0.259 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC2(CC[N@H+](CCO)C2)CC1 ZINC001035242041 819424975 /nfs/dbraw/zinc/42/49/75/819424975.db2.gz UYTPKDVGYDLZFD-UHFFFAOYSA-N 2 2 292.383 0.259 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1[NH2+]CCF ZINC001036264379 819716936 /nfs/dbraw/zinc/71/69/36/819716936.db2.gz SSYXOPYLKPXNIS-DGCLKSJQSA-N 2 2 282.363 0.759 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711379759 820013432 /nfs/dbraw/zinc/01/34/32/820013432.db2.gz OQICGGPHFZNBJW-NFAWXSAZSA-N 2 2 281.400 0.356 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1 ZINC001090362455 820299535 /nfs/dbraw/zinc/29/95/35/820299535.db2.gz XVYHSMSDPYBJSR-JSGCOSHPSA-N 2 2 288.351 0.748 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1 ZINC001090362455 820299540 /nfs/dbraw/zinc/29/95/40/820299540.db2.gz XVYHSMSDPYBJSR-JSGCOSHPSA-N 2 2 288.351 0.748 20 0 CCADLP CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H](OC)C1 ZINC001081871054 820848075 /nfs/dbraw/zinc/84/80/75/820848075.db2.gz VWCPUYBLWWWVGT-JHJVBQTASA-N 2 2 292.383 0.281 20 0 CCADLP CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H](OC)C1 ZINC001081871054 820848086 /nfs/dbraw/zinc/84/80/86/820848086.db2.gz VWCPUYBLWWWVGT-JHJVBQTASA-N 2 2 292.383 0.281 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001084561220 821314246 /nfs/dbraw/zinc/31/42/46/821314246.db2.gz YPYAANAGODXORD-MGPQQGTHSA-N 2 2 292.383 0.187 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001084561220 821314256 /nfs/dbraw/zinc/31/42/56/821314256.db2.gz YPYAANAGODXORD-MGPQQGTHSA-N 2 2 292.383 0.187 20 0 CCADLP C[C@@H](C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1)n1cc[nH+]c1 ZINC001119502757 821347303 /nfs/dbraw/zinc/34/73/03/821347303.db2.gz BCVQMDFDJBOWCH-RWMBFGLXSA-N 2 2 262.357 0.854 20 0 CCADLP C[C@@H](C(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1)n1cc[nH+]c1 ZINC001119502757 821347311 /nfs/dbraw/zinc/34/73/11/821347311.db2.gz BCVQMDFDJBOWCH-RWMBFGLXSA-N 2 2 262.357 0.854 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1C[C@H]2CC[N@H+](CCCF)C[C@H]21 ZINC001084866516 821415344 /nfs/dbraw/zinc/41/53/44/821415344.db2.gz UHSCTBDGSHUECE-CHWSQXEVSA-N 2 2 280.347 0.775 20 0 CCADLP CCS(=O)(=O)NCCC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000823416075 821518489 /nfs/dbraw/zinc/51/84/89/821518489.db2.gz UNGAVVSEZOJOKX-UHFFFAOYSA-N 2 2 291.461 0.732 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001085374685 821673040 /nfs/dbraw/zinc/67/30/40/821673040.db2.gz DEBQOBMZFGPXJV-IJLUTSLNSA-N 2 2 280.372 0.350 20 0 CCADLP OC[C@@H](O)C[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC000716311948 822024508 /nfs/dbraw/zinc/02/45/08/822024508.db2.gz AUYSMSSOYZDEGU-AWEZNQCLSA-N 2 2 250.342 0.061 20 0 CCADLP CCc1cc(-n2nccc2C[NH3+])nc(N2CCOCC2)[nH+]1 ZINC001155124786 822048065 /nfs/dbraw/zinc/04/80/65/822048065.db2.gz MXUKPBMYDIDBKD-UHFFFAOYSA-N 2 2 288.355 0.520 20 0 CCADLP O=C(NC[C@H]1C[C@@H]([NH2+]CCO)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001086122095 822120278 /nfs/dbraw/zinc/12/02/78/822120278.db2.gz WBZXDQDNOXYNBC-KLPPZKSPSA-N 2 2 288.351 0.653 20 0 CCADLP O=C(NC[C@H]1C[C@H]([NH2+]CCO)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001086401816 822239119 /nfs/dbraw/zinc/23/91/19/822239119.db2.gz WBZXDQDNOXYNBC-UMSPYCQHSA-N 2 2 288.351 0.653 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)C[N@H+](C)C2CCC2)o1 ZINC001129527033 837520025 /nfs/dbraw/zinc/52/00/25/837520025.db2.gz XXNSOLBUSVDIEA-UHFFFAOYSA-N 2 2 294.399 0.927 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)C[N@@H+](C)C2CCC2)o1 ZINC001129527033 837520030 /nfs/dbraw/zinc/52/00/30/837520030.db2.gz XXNSOLBUSVDIEA-UHFFFAOYSA-N 2 2 294.399 0.927 20 0 CCADLP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]Cc1ncccn1 ZINC001129856784 837569848 /nfs/dbraw/zinc/56/98/48/837569848.db2.gz XGSZKFBGEJJWPD-ZDUSSCGKSA-N 2 2 291.399 0.557 20 0 CCADLP C[N@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]Cc1ncccn1 ZINC001129856784 837569854 /nfs/dbraw/zinc/56/98/54/837569854.db2.gz XGSZKFBGEJJWPD-ZDUSSCGKSA-N 2 2 291.399 0.557 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[NH2+]Cc1nncs1)[NH+](C)C ZINC001129949867 837592053 /nfs/dbraw/zinc/59/20/53/837592053.db2.gz IUBVOVZGMRASEN-NSHDSACASA-N 2 2 285.417 0.330 20 0 CCADLP CC[C@H](C(=O)NCC[NH2+]Cc1ncccn1)[NH+](C)C ZINC001130197194 837722331 /nfs/dbraw/zinc/72/23/31/837722331.db2.gz FCKGRTVQHRFHML-LLVKDONJSA-N 2 2 265.361 0.023 20 0 CCADLP C[C@H](O)C[NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001130265869 837745349 /nfs/dbraw/zinc/74/53/49/837745349.db2.gz BWIGGTNHVHCFNU-VIFPVBQESA-N 2 2 262.313 0.263 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ncccn1 ZINC001130297779 837755005 /nfs/dbraw/zinc/75/50/05/837755005.db2.gz RILIXEGCPMBBLF-GFCCVEGCSA-N 2 2 277.372 0.167 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ncccn1 ZINC001130297779 837755011 /nfs/dbraw/zinc/75/50/11/837755011.db2.gz RILIXEGCPMBBLF-GFCCVEGCSA-N 2 2 277.372 0.167 20 0 CCADLP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1cnsn1 ZINC001130419249 837794217 /nfs/dbraw/zinc/79/42/17/837794217.db2.gz RCOKYWATVOEIRQ-UHFFFAOYSA-N 2 2 285.417 0.474 20 0 CCADLP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1cnsn1 ZINC001130419249 837794221 /nfs/dbraw/zinc/79/42/21/837794221.db2.gz RCOKYWATVOEIRQ-UHFFFAOYSA-N 2 2 285.417 0.474 20 0 CCADLP O=C(NCC[NH2+]C/C=C\Cl)[C@H]1CCn2cc[nH+]c2C1 ZINC001130485073 837807657 /nfs/dbraw/zinc/80/76/57/837807657.db2.gz ZUSAKBCQDAAQQO-DGWOPVBCSA-N 2 2 282.775 0.904 20 0 CCADLP CC(C)[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130484441 837808372 /nfs/dbraw/zinc/80/83/72/837808372.db2.gz NIQKPOVOOSQWAD-LLVKDONJSA-N 2 2 250.346 0.560 20 0 CCADLP CCC[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130490796 837811080 /nfs/dbraw/zinc/81/10/80/837811080.db2.gz IQFVYYBJMAKSAB-NSHDSACASA-N 2 2 250.346 0.561 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001183772647 844086287 /nfs/dbraw/zinc/08/62/87/844086287.db2.gz JGSFLTMKLPVWNY-CHWSQXEVSA-N 2 2 292.383 0.282 20 0 CCADLP [NH3+]CC1(NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)COC1 ZINC001183752071 844089522 /nfs/dbraw/zinc/08/95/22/844089522.db2.gz FTFYQYCVFLEYQR-CYBMUJFWSA-N 2 2 275.352 0.105 20 0 CCADLP [NH3+]CC1(NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)COC1 ZINC001183752071 844089534 /nfs/dbraw/zinc/08/95/34/844089534.db2.gz FTFYQYCVFLEYQR-CYBMUJFWSA-N 2 2 275.352 0.105 20 0 CCADLP CCC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001108367538 835991390 /nfs/dbraw/zinc/99/13/90/835991390.db2.gz KEIUEUWRACCBCS-HNNXBMFYSA-N 2 2 294.399 0.878 20 0 CCADLP CCC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001108367538 835991393 /nfs/dbraw/zinc/99/13/93/835991393.db2.gz KEIUEUWRACCBCS-HNNXBMFYSA-N 2 2 294.399 0.878 20 0 CCADLP Cc1ccc(-n2nnnc2C[NH3+])c(C[NH+]2CCOCC2)c1 ZINC001168924470 836060431 /nfs/dbraw/zinc/06/04/31/836060431.db2.gz YSIBPPHAYOPKOL-UHFFFAOYSA-N 2 2 288.355 0.262 20 0 CCADLP Cc1nc(CC[NH3+])nn1-c1c[nH+]c(N(C)C)cc1C ZINC001168987255 836101233 /nfs/dbraw/zinc/10/12/33/836101233.db2.gz IVOWQHVAPDVMTL-UHFFFAOYSA-N 2 2 260.345 0.846 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccnc(C(F)(F)F)n1 ZINC001169066407 836123039 /nfs/dbraw/zinc/12/30/39/836123039.db2.gz ADAKPBCXRNIQSQ-SSDOTTSWSA-N 2 2 287.245 0.543 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncccc1OC(F)F ZINC001169072348 836125065 /nfs/dbraw/zinc/12/50/65/836125065.db2.gz RBWABQPFVZUBRA-MRVPVSSYSA-N 2 2 284.266 0.731 20 0 CCADLP Cc1nc(C)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1C ZINC001169071880 836125839 /nfs/dbraw/zinc/12/58/39/836125839.db2.gz GZLWNKQSJOIKQY-LLVKDONJSA-N 2 2 261.329 0.450 20 0 CCADLP Cc1cc(F)ncc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169072655 836126016 /nfs/dbraw/zinc/12/60/16/836126016.db2.gz RBSZXIQYMVLRJU-SECBINFHSA-N 2 2 250.277 0.577 20 0 CCADLP Cc1[nH+]ccn1-c1cncc(-n2cncc2C[C@@H]([NH3+])CO)n1 ZINC001169071914 836126036 /nfs/dbraw/zinc/12/60/36/836126036.db2.gz HOZHBIAZOCOGJN-LLVKDONJSA-N 2 2 299.338 0.019 20 0 CCADLP COc1nccc(C)c1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169073353 836126802 /nfs/dbraw/zinc/12/68/02/836126802.db2.gz FMAUJSSHPHSEQY-SNVBAGLBSA-N 2 2 262.313 0.446 20 0 CCADLP Cc1nc2ccccc2nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169075671 836129037 /nfs/dbraw/zinc/12/90/37/836129037.db2.gz USHVPXQNGCLYEJ-LLVKDONJSA-N 2 2 283.335 0.986 20 0 CCADLP COC(=O)Cc1cc(N[C@H]2C[NH2+][C@H](C(=O)OC)C2)cc[nH+]1 ZINC001169136070 836148213 /nfs/dbraw/zinc/14/82/13/836148213.db2.gz GASDHYJCVRDGPA-NEPJUHHUSA-N 2 2 293.323 0.113 20 0 CCADLP C[C@H]([NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1)c1cnccn1 ZINC001169204119 836158626 /nfs/dbraw/zinc/15/86/26/836158626.db2.gz IFLQQQJDGREYHR-NSHDSACASA-N 2 2 288.355 0.599 20 0 CCADLP Cc1cnc(C[NH2+]CCCNC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC001169212150 836160443 /nfs/dbraw/zinc/16/04/43/836160443.db2.gz QKQOPHZJAOKDEL-UHFFFAOYSA-N 2 2 288.355 0.347 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]CCOCC1CCC1 ZINC001169211576 836160575 /nfs/dbraw/zinc/16/05/75/836160575.db2.gz GLTAYDCFBNTEOD-UHFFFAOYSA-N 2 2 294.399 0.865 20 0 CCADLP CC[NH+]1CCC([NH2+][C@@H](CC(C)C)C(=O)NCC(N)=O)CC1 ZINC001169241489 836172871 /nfs/dbraw/zinc/17/28/71/836172871.db2.gz LTKVXPSPWJLUAA-ZDUSSCGKSA-N 2 2 298.431 0.077 20 0 CCADLP CCOC(=O)[C@H]1CC[C@H]([NH2+]CCn2cc[nH+]c2)CO1 ZINC001169312906 836192492 /nfs/dbraw/zinc/19/24/92/836192492.db2.gz HHCCNVSQKSCLOC-NWDGAFQWSA-N 2 2 267.329 0.583 20 0 CCADLP CC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](CC3CCOCC3)C2)C1 ZINC001169513275 836316124 /nfs/dbraw/zinc/31/61/24/836316124.db2.gz LGAONOBHMJOQBN-CVEARBPZSA-N 2 2 295.427 0.698 20 0 CCADLP CC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CCOCC3)C2)C1 ZINC001169513275 836316137 /nfs/dbraw/zinc/31/61/37/836316137.db2.gz LGAONOBHMJOQBN-CVEARBPZSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNc1ccc2c(n1)OCC[NH2+]C2 ZINC001169651103 836405624 /nfs/dbraw/zinc/40/56/24/836405624.db2.gz LGUDRCQIQLGWRY-GFCCVEGCSA-N 2 2 278.356 0.306 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNc1ccc2c(n1)OCC[NH2+]C2 ZINC001169651103 836405628 /nfs/dbraw/zinc/40/56/28/836405628.db2.gz LGUDRCQIQLGWRY-GFCCVEGCSA-N 2 2 278.356 0.306 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)C2([NH+](C)C)CCC2)[nH]1 ZINC001129358286 836513591 /nfs/dbraw/zinc/51/35/91/836513591.db2.gz RSTHKQKSXGAIHV-JTQLQIEISA-N 2 2 294.403 0.364 20 0 CCADLP O=C(c1cccc2[nH+]ccn21)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001184211093 844178363 /nfs/dbraw/zinc/17/83/63/844178363.db2.gz HZGGSJQBZLDRSS-GFCCVEGCSA-N 2 2 288.351 0.521 20 0 CCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC001112910272 836961400 /nfs/dbraw/zinc/96/14/00/836961400.db2.gz FIAYPSQORFDQHT-QWHCGFSZSA-N 2 2 289.395 0.191 20 0 CCADLP CC[N@@H+](C)C(C)(C)C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC001113035055 837003694 /nfs/dbraw/zinc/00/36/94/837003694.db2.gz HNCLLDSFVQRQNC-GFCCVEGCSA-N 2 2 271.405 0.242 20 0 CCADLP C[C@@H](O)CCC[NH+]1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001113172674 837044569 /nfs/dbraw/zinc/04/45/69/837044569.db2.gz OVOFDMLWZMZRFL-CQSZACIVSA-N 2 2 294.399 0.578 20 0 CCADLP Cc1c(CC[NH3+])c(=O)[nH]n1-c1c[nH+]c2c(c1)CCCN2 ZINC001170344176 837324340 /nfs/dbraw/zinc/32/43/40/837324340.db2.gz HNHCCVVJSKSBCT-UHFFFAOYSA-N 2 2 273.340 0.919 20 0 CCADLP CCOCCC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001184720124 844278292 /nfs/dbraw/zinc/27/82/92/844278292.db2.gz IOOYVQSTFWAESE-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1conc1C ZINC001131380398 838073351 /nfs/dbraw/zinc/07/33/51/838073351.db2.gz KSAKITCAZRIGSS-UHFFFAOYSA-N 2 2 277.328 0.394 20 0 CCADLP COC(=O)c1[nH+]ccc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)c1C ZINC001170568302 838133569 /nfs/dbraw/zinc/13/35/69/838133569.db2.gz GCXRSWNUWLFZGJ-JQWIXIFHSA-N 2 2 279.340 0.387 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC[NH2+]CC1CC1 ZINC001131822064 838232660 /nfs/dbraw/zinc/23/26/60/838232660.db2.gz IDUZCOAOARIXON-CQSZACIVSA-N 2 2 283.416 0.603 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC[NH2+]CC1CC1 ZINC001131822064 838232674 /nfs/dbraw/zinc/23/26/74/838232674.db2.gz IDUZCOAOARIXON-CQSZACIVSA-N 2 2 283.416 0.603 20 0 CCADLP COCC[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001132222240 838339831 /nfs/dbraw/zinc/33/98/31/838339831.db2.gz VOQUVUNXRWHOHT-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP COCC[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[C@H]1C ZINC001132222240 838339840 /nfs/dbraw/zinc/33/98/40/838339840.db2.gz VOQUVUNXRWHOHT-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+]Cc2cnon2)C1 ZINC001132738501 838481318 /nfs/dbraw/zinc/48/13/18/838481318.db2.gz GAQAOKVQKBEDOW-GFCCVEGCSA-N 2 2 295.387 0.397 20 0 CCADLP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH2+]Cc2cnon2)C1 ZINC001132738501 838481321 /nfs/dbraw/zinc/48/13/21/838481321.db2.gz GAQAOKVQKBEDOW-GFCCVEGCSA-N 2 2 295.387 0.397 20 0 CCADLP CC(C)c1noc(C[NH2+]CCNC(=O)CC[NH+](C)C)n1 ZINC001133294677 838592048 /nfs/dbraw/zinc/59/20/48/838592048.db2.gz OWDVYIKXROCHFD-UHFFFAOYSA-N 2 2 283.376 0.351 20 0 CCADLP C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C[NH2+]CCCO ZINC001133355271 838609179 /nfs/dbraw/zinc/60/91/79/838609179.db2.gz WYRHMHWHRFOIMU-KGLIPLIRSA-N 2 2 294.399 0.340 20 0 CCADLP C[C@H](O)CCC[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001133664605 838691008 /nfs/dbraw/zinc/69/10/08/838691008.db2.gz VDDSVHJXTCWJTA-NWDGAFQWSA-N 2 2 294.399 0.696 20 0 CCADLP CC[C@H](C(=O)NCC[NH2+]Cc1nonc1C)[NH+](CC)CC ZINC001133685702 838696229 /nfs/dbraw/zinc/69/62/29/838696229.db2.gz ZXDZHCWCHZEATJ-CYBMUJFWSA-N 2 2 297.403 0.704 20 0 CCADLP CC[C@H](C(=O)NCC[NH2+]Cc1cnon1)[NH+](CC)CC ZINC001133690733 838697067 /nfs/dbraw/zinc/69/70/67/838697067.db2.gz UVUJSCRDQIFCPK-GFCCVEGCSA-N 2 2 283.376 0.396 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)C[N@H+]2CCC[C@H]2C)nc1 ZINC001133819943 838725595 /nfs/dbraw/zinc/72/55/95/838725595.db2.gz SNCLDZUPMRCDMV-CYBMUJFWSA-N 2 2 291.399 0.475 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)C[N@@H+]2CCC[C@H]2C)nc1 ZINC001133819943 838725607 /nfs/dbraw/zinc/72/56/07/838725607.db2.gz SNCLDZUPMRCDMV-CYBMUJFWSA-N 2 2 291.399 0.475 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)C[N@@H+]2CCC[C@H]2C)[nH]1 ZINC001133824074 838736421 /nfs/dbraw/zinc/73/64/21/838736421.db2.gz XHELHRNGYITOKL-GHMZBOCLSA-N 2 2 294.403 0.364 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)C[N@H+]2CCC[C@H]2C)[nH]1 ZINC001133824074 838736423 /nfs/dbraw/zinc/73/64/23/838736423.db2.gz XHELHRNGYITOKL-GHMZBOCLSA-N 2 2 294.403 0.364 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NCC[NH2+]Cc2cnsn2)C1 ZINC001133842392 838743825 /nfs/dbraw/zinc/74/38/25/838743825.db2.gz OBIYAZWHGITNCW-JTQLQIEISA-N 2 2 283.401 0.086 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)NCC[NH2+]Cc2cnsn2)C1 ZINC001133842392 838743829 /nfs/dbraw/zinc/74/38/29/838743829.db2.gz OBIYAZWHGITNCW-JTQLQIEISA-N 2 2 283.401 0.086 20 0 CCADLP Cc1ccnc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)n1 ZINC001133867429 838758573 /nfs/dbraw/zinc/75/85/73/838758573.db2.gz UNSKAMWCNCAJRB-DGCLKSJQSA-N 2 2 291.399 0.189 20 0 CCADLP Cc1ccnc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)n1 ZINC001133867429 838758584 /nfs/dbraw/zinc/75/85/84/838758584.db2.gz UNSKAMWCNCAJRB-DGCLKSJQSA-N 2 2 291.399 0.189 20 0 CCADLP C[C@H](CC(=O)NCC[NH2+]CC1CCOCC1)n1cc[nH+]c1 ZINC001134517868 839000914 /nfs/dbraw/zinc/00/09/14/839000914.db2.gz VAZNZDJDNGGVBH-CYBMUJFWSA-N 2 2 294.399 0.967 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCO)c[nH+]1 ZINC001134730146 839056637 /nfs/dbraw/zinc/05/66/37/839056637.db2.gz TXBYZXMKPBVTNP-RYUDHWBXSA-N 2 2 296.415 0.792 20 0 CCADLP CC[C@@H](C[NH2+]CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)OC ZINC001135080110 839156500 /nfs/dbraw/zinc/15/65/00/839156500.db2.gz KYOONJWPKKCMQB-YPMHNXCESA-N 2 2 282.388 0.719 20 0 CCADLP CC[C@@H](C[NH2+]CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)OC ZINC001135080110 839156504 /nfs/dbraw/zinc/15/65/04/839156504.db2.gz KYOONJWPKKCMQB-YPMHNXCESA-N 2 2 282.388 0.719 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)C[NH+](CC)CC)o1 ZINC001135508721 839263877 /nfs/dbraw/zinc/26/38/77/839263877.db2.gz XOUVKJXYAPIQPD-UHFFFAOYSA-N 2 2 282.388 0.785 20 0 CCADLP COc1cccc(C[NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001135754628 839384933 /nfs/dbraw/zinc/38/49/33/839384933.db2.gz FPUNOXYMGUXSJD-UHFFFAOYSA-N 2 2 288.351 0.867 20 0 CCADLP CC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001135948931 839475701 /nfs/dbraw/zinc/47/57/01/839475701.db2.gz FYPIGYREPLYGSO-GHMZBOCLSA-N 2 2 252.362 0.855 20 0 CCADLP [NH3+]CC[N@H+](CCO)[C@H]1CCc2cccc(F)c2C1 ZINC001170948757 839597052 /nfs/dbraw/zinc/59/70/52/839597052.db2.gz INIDJDSOTGIZMI-LBPRGKRZSA-N 2 2 252.333 0.936 20 0 CCADLP [NH3+]CC[N@@H+](CCO)[C@H]1CCc2cccc(F)c2C1 ZINC001170948757 839597060 /nfs/dbraw/zinc/59/70/60/839597060.db2.gz INIDJDSOTGIZMI-LBPRGKRZSA-N 2 2 252.333 0.936 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)CN1 ZINC001246118270 839631141 /nfs/dbraw/zinc/63/11/41/839631141.db2.gz OYZBYRBQJZXGDW-FVCCEPFGSA-N 2 2 269.389 0.258 20 0 CCADLP CCCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001090678441 839730940 /nfs/dbraw/zinc/73/09/40/839730940.db2.gz HALWWXZRGZZOAW-RYUDHWBXSA-N 2 2 280.372 0.304 20 0 CCADLP CCCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001090678441 839730930 /nfs/dbraw/zinc/73/09/30/839730930.db2.gz HALWWXZRGZZOAW-RYUDHWBXSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)C[NH2+]1 ZINC001246251581 839742777 /nfs/dbraw/zinc/74/27/77/839742777.db2.gz XJKDUIJBEXTSEE-RDBSUJKOSA-N 3 2 267.417 0.875 20 0 CCADLP CN(C)c1cc[nH+]cc1NC(=O)C[N@@H+]1CC[C@H](O)C1 ZINC001186033836 844484072 /nfs/dbraw/zinc/48/40/72/844484072.db2.gz JYVCZEJQFQTJLO-JTQLQIEISA-N 2 2 264.329 0.153 20 0 CCADLP CN(C)c1cc[nH+]cc1NC(=O)C[N@H+]1CC[C@H](O)C1 ZINC001186033836 844484076 /nfs/dbraw/zinc/48/40/76/844484076.db2.gz JYVCZEJQFQTJLO-JTQLQIEISA-N 2 2 264.329 0.153 20 0 CCADLP CC(C)C[C@H](C(=O)NCCC[NH2+]CC(N)=O)n1cc[nH+]c1 ZINC001160528627 839979728 /nfs/dbraw/zinc/97/97/28/839979728.db2.gz SIDMTDNUDHZLCK-GFCCVEGCSA-N 2 2 295.387 0.052 20 0 CCADLP C[C@H](CCCC[NH2+]C[C@H](C)O)NC(=O)CCc1c[nH]c[nH+]1 ZINC001171153010 839985106 /nfs/dbraw/zinc/98/51/06/839985106.db2.gz VOICWDRHFVEEQP-OLZOCXBDSA-N 2 2 296.415 0.988 20 0 CCADLP C[C@H](CCCC[NH2+]C[C@H](C)O)NC(=O)CCc1c[nH+]c[nH]1 ZINC001171153010 839985108 /nfs/dbraw/zinc/98/51/08/839985108.db2.gz VOICWDRHFVEEQP-OLZOCXBDSA-N 2 2 296.415 0.988 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@@H+]([C@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC001246555518 840000545 /nfs/dbraw/zinc/00/05/45/840000545.db2.gz BUAVTHXKXRWDLJ-ZFWWWQNUSA-N 3 2 267.417 0.837 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@H+]([C@H]2CC[NH2+]C3(CCC3)C2)C1 ZINC001246555518 840000553 /nfs/dbraw/zinc/00/05/53/840000553.db2.gz BUAVTHXKXRWDLJ-ZFWWWQNUSA-N 3 2 267.417 0.837 20 0 CCADLP CC[NH2+]C1CC(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001091107028 840050629 /nfs/dbraw/zinc/05/06/29/840050629.db2.gz ZZHRXLCMVJNBRX-OTTFEQOBSA-N 2 2 276.384 0.950 20 0 CCADLP O=C1CCC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1F ZINC001246570001 840058352 /nfs/dbraw/zinc/05/83/52/840058352.db2.gz YGHSUDLDPCUMIW-MNOVXSKESA-N 2 2 255.337 0.083 20 0 CCADLP O=C1CCC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C[C@@H]1F ZINC001246570001 840058361 /nfs/dbraw/zinc/05/83/61/840058361.db2.gz YGHSUDLDPCUMIW-MNOVXSKESA-N 2 2 255.337 0.083 20 0 CCADLP [NH3+]C[C@@]1(F)CCCC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246573362 840078687 /nfs/dbraw/zinc/07/86/87/840078687.db2.gz BZCPDGJRJLPLKC-OLZOCXBDSA-N 3 2 270.396 0.233 20 0 CCADLP [NH3+]C[C@@]1(F)CCCC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246573362 840078692 /nfs/dbraw/zinc/07/86/92/840078692.db2.gz BZCPDGJRJLPLKC-OLZOCXBDSA-N 3 2 270.396 0.233 20 0 CCADLP CCOC(=O)C[NH+]1CCC(N2C[C@H]([NH3+])C[C@@H](F)C2)CC1 ZINC001246575470 840086615 /nfs/dbraw/zinc/08/66/15/840086615.db2.gz MMGDLZUPOLENFO-VXGBXAGGSA-N 2 2 287.379 0.385 20 0 CCADLP CCOC(=O)C[NH+]1CCC(N2C[C@H]([NH3+])C[C@H](F)C2)CC1 ZINC001246575458 840086743 /nfs/dbraw/zinc/08/67/43/840086743.db2.gz MMGDLZUPOLENFO-NWDGAFQWSA-N 2 2 287.379 0.385 20 0 CCADLP O=C(C[N@H+]1CC[C@H](O)C1)NCc1[nH+]cn2ccccc12 ZINC001186058031 844506628 /nfs/dbraw/zinc/50/66/28/844506628.db2.gz PGZXVPAOJYXODE-NSHDSACASA-N 2 2 274.324 0.017 20 0 CCADLP O=C(C[N@@H+]1CC[C@H](O)C1)NCc1[nH+]cn2ccccc12 ZINC001186058031 844506632 /nfs/dbraw/zinc/50/66/32/844506632.db2.gz PGZXVPAOJYXODE-NSHDSACASA-N 2 2 274.324 0.017 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]Cc1cncs1 ZINC001171244562 840191898 /nfs/dbraw/zinc/19/18/98/840191898.db2.gz QHFAUJRSADWAOZ-UHFFFAOYSA-N 2 2 293.396 0.715 20 0 CCADLP CC(C)[NH2+]CCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001146509341 840310725 /nfs/dbraw/zinc/31/07/25/840310725.db2.gz PKYCWVKMGQGXCO-UHFFFAOYSA-N 2 2 273.340 0.995 20 0 CCADLP CC[N@@H+]1CC[C@H]1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC001147455997 840601800 /nfs/dbraw/zinc/60/18/00/840601800.db2.gz BHKUEXRAQVVYDV-RYUDHWBXSA-N 2 2 250.346 0.730 20 0 CCADLP CC[N@H+]1CC[C@H]1C(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC001147455997 840601802 /nfs/dbraw/zinc/60/18/02/840601802.db2.gz BHKUEXRAQVVYDV-RYUDHWBXSA-N 2 2 250.346 0.730 20 0 CCADLP [NH3+][C@@H]1C[N@@H+](C2CCC3(CC[NH2+]C3)CC2)CC12COC2 ZINC001246988923 840688685 /nfs/dbraw/zinc/68/86/85/840688685.db2.gz KFRMDSNRRIUYQG-ROKHWSDSSA-N 3 2 265.401 0.568 20 0 CCADLP [NH3+][C@@H]1C[N@H+](C2CCC3(CC[NH2+]C3)CC2)CC12COC2 ZINC001246988923 840688690 /nfs/dbraw/zinc/68/86/90/840688690.db2.gz KFRMDSNRRIUYQG-ROKHWSDSSA-N 3 2 265.401 0.568 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)C[C@H]2CC[N@H+](C)C2)o1 ZINC001147884549 840715509 /nfs/dbraw/zinc/71/55/09/840715509.db2.gz FKRKMRCUFGPXDI-LLVKDONJSA-N 2 2 295.387 0.180 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)C[C@H]2CC[N@@H+](C)C2)o1 ZINC001147884549 840715514 /nfs/dbraw/zinc/71/55/14/840715514.db2.gz FKRKMRCUFGPXDI-LLVKDONJSA-N 2 2 295.387 0.180 20 0 CCADLP C[C@@H]1C[C@H]([N@@H+]2CC(=O)NC3(CCCC3)C2)CC[NH2+]1 ZINC001246998113 840722966 /nfs/dbraw/zinc/72/29/66/840722966.db2.gz XANFDPNKHKBTBO-VXGBXAGGSA-N 2 2 251.374 0.872 20 0 CCADLP C[C@@H]1C[C@H]([N@H+]2CC(=O)NC3(CCCC3)C2)CC[NH2+]1 ZINC001246998113 840722974 /nfs/dbraw/zinc/72/29/74/840722974.db2.gz XANFDPNKHKBTBO-VXGBXAGGSA-N 2 2 251.374 0.872 20 0 CCADLP Cc1nc(NCCN(CC[NH3+])N(O)N=O)c2c([nH+]1)CCC2 ZINC001161092539 840746934 /nfs/dbraw/zinc/74/69/34/840746934.db2.gz UBRJISPEVCEICE-UHFFFAOYSA-N 2 2 295.347 0.234 20 0 CCADLP CCC[N@H+](C)CCC(=O)NCC[NH2+][C@H](C)c1nnc(C)o1 ZINC001148577925 840846502 /nfs/dbraw/zinc/84/65/02/840846502.db2.gz JXCSTFMNIIPQCK-LLVKDONJSA-N 2 2 297.403 0.877 20 0 CCADLP CCC[N@@H+](C)CCC(=O)NCC[NH2+][C@H](C)c1nnc(C)o1 ZINC001148577925 840846512 /nfs/dbraw/zinc/84/65/12/840846512.db2.gz JXCSTFMNIIPQCK-LLVKDONJSA-N 2 2 297.403 0.877 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000045134866 840853843 /nfs/dbraw/zinc/85/38/43/840853843.db2.gz IZNMGZRSNFCYFB-CABCVRRESA-N 3 2 269.433 0.763 20 0 CCADLP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000045134866 840853853 /nfs/dbraw/zinc/85/38/53/840853853.db2.gz IZNMGZRSNFCYFB-CABCVRRESA-N 3 2 269.433 0.763 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000045134867 840854218 /nfs/dbraw/zinc/85/42/18/840854218.db2.gz IZNMGZRSNFCYFB-GJZGRUSLSA-N 3 2 269.433 0.763 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000045134867 840854234 /nfs/dbraw/zinc/85/42/34/840854234.db2.gz IZNMGZRSNFCYFB-GJZGRUSLSA-N 3 2 269.433 0.763 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(NC(N)=[NH2+])cc2)C1 ZINC001148652704 840868080 /nfs/dbraw/zinc/86/80/80/840868080.db2.gz YQHBSTOZCGCAMZ-GFCCVEGCSA-N 2 2 291.355 0.052 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)c2ccc(NC(N)=[NH2+])cc2)C1 ZINC001148652704 840868083 /nfs/dbraw/zinc/86/80/83/840868083.db2.gz YQHBSTOZCGCAMZ-GFCCVEGCSA-N 2 2 291.355 0.052 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH2+][C@H](C)c1nc(CC)no1 ZINC001148655595 840868938 /nfs/dbraw/zinc/86/89/38/840868938.db2.gz PCENVXPZIHQHOZ-LLVKDONJSA-N 2 2 297.403 0.741 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@H](C)c1nc(CC)no1 ZINC001148655595 840868941 /nfs/dbraw/zinc/86/89/41/840868941.db2.gz PCENVXPZIHQHOZ-LLVKDONJSA-N 2 2 297.403 0.741 20 0 CCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]C(C)C ZINC001087088281 840958026 /nfs/dbraw/zinc/95/80/26/840958026.db2.gz REJVWKLITHJFTQ-TZMCWYRMSA-N 2 2 294.399 0.814 20 0 CCADLP CCO[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]C(C)C ZINC001087093864 840959310 /nfs/dbraw/zinc/95/93/10/840959310.db2.gz HEIRMOJMDKIGKD-CHWSQXEVSA-N 2 2 294.399 0.814 20 0 CCADLP O=S1(=O)CCC(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)CC1 ZINC000714999030 841238745 /nfs/dbraw/zinc/23/87/45/841238745.db2.gz OPJAHAJKHYGAIQ-KGLIPLIRSA-N 2 2 286.441 0.885 20 0 CCADLP O=S1(=O)CCC(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)CC1 ZINC000714999030 841238754 /nfs/dbraw/zinc/23/87/54/841238754.db2.gz OPJAHAJKHYGAIQ-KGLIPLIRSA-N 2 2 286.441 0.885 20 0 CCADLP C[NH+]1CCC([NH2+]CC(=O)NCc2ccccc2)CC1 ZINC000037249898 841652122 /nfs/dbraw/zinc/65/21/22/841652122.db2.gz QZUPVUMKEWMGNE-UHFFFAOYSA-N 2 2 261.369 0.987 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CC(=O)N(CC2CC2)C1 ZINC000716774857 841680222 /nfs/dbraw/zinc/68/02/22/841680222.db2.gz XFHPCQFOFQPKTE-CYZMBNFOSA-N 2 2 251.374 0.727 20 0 CCADLP CO[C@H](C)C[NH2+]C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001203337710 841780118 /nfs/dbraw/zinc/78/01/18/841780118.db2.gz QQBFSMQZYMPCSB-GFCCVEGCSA-N 2 2 294.399 0.578 20 0 CCADLP [NH3+]C[C@]1([NH2+][C@H]2CCN(C3CC3)C(=O)C2)CN2CCC1CC2 ZINC001172010617 841790949 /nfs/dbraw/zinc/79/09/49/841790949.db2.gz CARNGWNEIQQWCT-BBRMVZONSA-N 2 2 292.427 0.153 20 0 CCADLP COCCC[NH+]1CCC([NH2+]C2(CCO)COC2)CC1 ZINC001172247160 841909348 /nfs/dbraw/zinc/90/93/48/841909348.db2.gz HUEXAPQFTGCPAH-UHFFFAOYSA-N 2 2 272.389 0.228 20 0 CCADLP CCN(C)c1cc(NC[C@H]2COCC[NH2+]2)nc[nH+]1 ZINC000259005282 842078230 /nfs/dbraw/zinc/07/82/30/842078230.db2.gz FOKLIVBBQOUCJL-JTQLQIEISA-N 2 2 251.334 0.333 20 0 CCADLP Cc1nc(N(C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)cc[nH+]1 ZINC001095157548 842080011 /nfs/dbraw/zinc/08/00/11/842080011.db2.gz VTVWSLIQUIKRGO-ZDUSSCGKSA-N 2 2 291.399 0.774 20 0 CCADLP COC(=O)CCCC[C@H](C)NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001173452859 842088369 /nfs/dbraw/zinc/08/83/69/842088369.db2.gz JOKAARNIBXNJLF-LBPRGKRZSA-N 2 2 284.404 0.880 20 0 CCADLP CO[C@@H](C)C[NH2+]CCCNC(=O)CCc1c[nH+]cn1C ZINC001175002690 842223857 /nfs/dbraw/zinc/22/38/57/842223857.db2.gz KTPIXXMMWPHPJM-LBPRGKRZSA-N 2 2 282.388 0.484 20 0 CCADLP C[C@@H](O)C[NH2+]CCCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175881589 842289889 /nfs/dbraw/zinc/28/98/89/842289889.db2.gz RGICTYZVMNCQLM-NWDGAFQWSA-N 2 2 282.388 0.598 20 0 CCADLP C[C@@H](CCCC[NH2+]CCO)NC(=O)CCCn1cc[nH+]c1 ZINC001176810270 842412330 /nfs/dbraw/zinc/41/23/30/842412330.db2.gz JGLYHZMRMVFPGF-AWEZNQCLSA-N 2 2 296.415 0.920 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001176878487 842437302 /nfs/dbraw/zinc/43/73/02/842437302.db2.gz TVHBALDEWHUTGC-AWEZNQCLSA-N 2 2 292.383 0.596 20 0 CCADLP CC[N@@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@H]21 ZINC001177156753 842512840 /nfs/dbraw/zinc/51/28/40/842512840.db2.gz NWXNDJBNSFCFLS-ZIAGYGMSSA-N 2 2 283.416 0.648 20 0 CCADLP CC[N@H+]1CCO[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@H]21 ZINC001177156753 842512844 /nfs/dbraw/zinc/51/28/44/842512844.db2.gz NWXNDJBNSFCFLS-ZIAGYGMSSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCO[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]21 ZINC001177156753 842512849 /nfs/dbraw/zinc/51/28/49/842512849.db2.gz NWXNDJBNSFCFLS-ZIAGYGMSSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCO[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]21 ZINC001177156753 842512852 /nfs/dbraw/zinc/51/28/52/842512852.db2.gz NWXNDJBNSFCFLS-ZIAGYGMSSA-N 2 2 283.416 0.648 20 0 CCADLP CCNC(=O)[C@@H](C)[NH2+]Cc1c[nH+]ccc1N(C)C ZINC001177175330 842517197 /nfs/dbraw/zinc/51/71/97/842517197.db2.gz IHWMCDHDNBMXMJ-SNVBAGLBSA-N 2 2 250.346 0.762 20 0 CCADLP Cc1cncc(C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)c1 ZINC001177401144 842574302 /nfs/dbraw/zinc/57/43/02/842574302.db2.gz RECFUSVYPWAQAM-UHFFFAOYSA-N 2 2 287.367 0.883 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]CC[C@@H]1CCCCO1 ZINC001177404600 842578221 /nfs/dbraw/zinc/57/82/21/842578221.db2.gz FMQSOLWCABGQRT-AWEZNQCLSA-N 2 2 294.399 0.938 20 0 CCADLP C[C@H](C(=O)n1ccc([C@H]2CCC[NH2+]2)nc1=N)n1cc[nH+]c1 ZINC001177921739 842710470 /nfs/dbraw/zinc/71/04/70/842710470.db2.gz HJDTZYVAOUJLIJ-GHMZBOCLSA-N 2 2 286.339 0.885 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CCCF)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001178414057 842846173 /nfs/dbraw/zinc/84/61/73/842846173.db2.gz 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Nc1ccc(Cl)cc1C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206524923 843860533 /nfs/dbraw/zinc/86/05/33/843860533.db2.gz AMEQNSIBZDBAON-CABZTGNLSA-N 2 2 255.749 0.674 20 0 CCADLP Nc1ccc(Cl)cc1C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206524923 843860545 /nfs/dbraw/zinc/86/05/45/843860545.db2.gz AMEQNSIBZDBAON-CABZTGNLSA-N 2 2 255.749 0.674 20 0 CCADLP COc1cc(F)cc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206524976 843860748 /nfs/dbraw/zinc/86/07/48/843860748.db2.gz DUNRRDSSDFGYOB-GWCFXTLKSA-N 2 2 254.305 0.586 20 0 CCADLP COc1cc(F)cc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206524976 843860750 /nfs/dbraw/zinc/86/07/50/843860750.db2.gz DUNRRDSSDFGYOB-GWCFXTLKSA-N 2 2 254.305 0.586 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001188145469 844836530 /nfs/dbraw/zinc/83/65/30/844836530.db2.gz ICOOZZAEGHJVOX-LLVKDONJSA-N 2 2 297.428 0.569 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001188145469 844836532 /nfs/dbraw/zinc/83/65/32/844836532.db2.gz 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C[NH+]1CCC([N@H+]2CCC[C@@]23CCN(C2COC2)C3=O)CC1 ZINC001273829737 847619107 /nfs/dbraw/zinc/61/91/07/847619107.db2.gz MFSKRLAMMJWSPF-INIZCTEOSA-N 2 2 293.411 0.546 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C2COC2)CC1 ZINC001273830130 847619179 /nfs/dbraw/zinc/61/91/79/847619179.db2.gz UZQYACRJSLLRFV-HUUCEWRRSA-N 2 2 293.411 0.545 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C2COC2)CC1 ZINC001273830130 847619183 /nfs/dbraw/zinc/61/91/83/847619183.db2.gz UZQYACRJSLLRFV-HUUCEWRRSA-N 2 2 293.411 0.545 20 0 CCADLP COCC[NH2+]C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001200950450 847710995 /nfs/dbraw/zinc/71/09/95/847710995.db2.gz ZQUQMKBOMZMJEO-UHFFFAOYSA-N 2 2 280.372 0.569 20 0 CCADLP COCC[NH2+]C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001200950450 847711005 /nfs/dbraw/zinc/71/10/05/847711005.db2.gz ZQUQMKBOMZMJEO-UHFFFAOYSA-N 2 2 280.372 0.569 20 0 CCADLP COc1cc(C)ccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205946695 847894597 /nfs/dbraw/zinc/89/45/97/847894597.db2.gz 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848060358 /nfs/dbraw/zinc/06/03/58/848060358.db2.gz MCQBMQJDGDLUNZ-MCIONIFRSA-N 2 2 256.390 0.798 20 0 CCADLP CC(C)OC[C@H](O)C[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001252681343 848060365 /nfs/dbraw/zinc/06/03/65/848060365.db2.gz MCQBMQJDGDLUNZ-MCIONIFRSA-N 2 2 256.390 0.798 20 0 CCADLP CC(C)OC[C@H](O)C[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001252681343 848060372 /nfs/dbraw/zinc/06/03/72/848060372.db2.gz MCQBMQJDGDLUNZ-MCIONIFRSA-N 2 2 256.390 0.798 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC2(CCC(=O)N2C)CC1 ZINC001253192202 848153836 /nfs/dbraw/zinc/15/38/36/848153836.db2.gz MAHFHDMBQOGGSF-CQSZACIVSA-N 2 2 297.443 0.776 20 0 CCADLP CC[NH+](CC)C[C@H](O)CNCc1c[nH+]cn1CCOC ZINC001253208267 848159139 /nfs/dbraw/zinc/15/91/39/848159139.db2.gz PBNHYIJXKOEOGZ-CQSZACIVSA-N 2 2 284.404 0.322 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)CC[NH2+]CC1CC1 ZINC000717262393 848183626 /nfs/dbraw/zinc/18/36/26/848183626.db2.gz VOTWXZGKFSRXOX-LLVKDONJSA-N 2 2 250.346 0.778 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NC/C=C\C[NH2+]Cc2cnon2)C1 ZINC001274367709 848460692 /nfs/dbraw/zinc/46/06/92/848460692.db2.gz FDLMXECMTSMTLE-ZZKXABKFSA-N 2 2 293.371 0.173 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NC/C=C\C[NH2+]Cc2cnon2)C1 ZINC001274367709 848460697 /nfs/dbraw/zinc/46/06/97/848460697.db2.gz FDLMXECMTSMTLE-ZZKXABKFSA-N 2 2 293.371 0.173 20 0 CCADLP COCCC[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001274937468 848597065 /nfs/dbraw/zinc/59/70/65/848597065.db2.gz UWXJBJJTMIHAHR-INIZCTEOSA-N 2 2 297.443 0.899 20 0 CCADLP COCCC[N@H+]1CCC[C@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001274937468 848597071 /nfs/dbraw/zinc/59/70/71/848597071.db2.gz UWXJBJJTMIHAHR-INIZCTEOSA-N 2 2 297.443 0.899 20 0 CCADLP COCCC[NH+]1CCC[C@]2(CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001274937468 848597073 /nfs/dbraw/zinc/59/70/73/848597073.db2.gz UWXJBJJTMIHAHR-INIZCTEOSA-N 2 2 297.443 0.899 20 0 CCADLP COCCC[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001274937468 848597076 /nfs/dbraw/zinc/59/70/76/848597076.db2.gz 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C[C@@H](C[N@@H+](C)CC1CC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001275666485 848787664 /nfs/dbraw/zinc/78/76/64/848787664.db2.gz XYGOZJBIDRGSHR-JTQLQIEISA-N 2 2 250.346 0.799 20 0 CCADLP Cc1[nH+]c[nH]c1CN1CC2(C1)CC[N@@H+](CC(=O)N(C)C)C2 ZINC001276207412 848962739 /nfs/dbraw/zinc/96/27/39/848962739.db2.gz SDMKEPJLQPYBBZ-UHFFFAOYSA-N 2 2 291.399 0.314 20 0 CCADLP Cc1[nH+]c[nH]c1CN1CC2(C1)CC[N@H+](CC(=O)N(C)C)C2 ZINC001276207412 848962744 /nfs/dbraw/zinc/96/27/44/848962744.db2.gz SDMKEPJLQPYBBZ-UHFFFAOYSA-N 2 2 291.399 0.314 20 0 CCADLP CCOC(=O)[C@H]1CC[C@H]([NH2+]C2(CO)CC[NH+](C)CC2)C1 ZINC001257045993 849001758 /nfs/dbraw/zinc/00/17/58/849001758.db2.gz FMDUMQDUNPXFMS-STQMWFEESA-N 2 2 284.400 0.765 20 0 CCADLP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC001114774783 849392829 /nfs/dbraw/zinc/39/28/29/849392829.db2.gz UUGWJIVCFIGIIZ-IMRBUKKESA-N 2 2 278.356 0.173 20 0 CCADLP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC001114774783 849392839 /nfs/dbraw/zinc/39/28/39/849392839.db2.gz UUGWJIVCFIGIIZ-IMRBUKKESA-N 2 2 278.356 0.173 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCCN2CCSC[C@@H]12 ZINC000720414163 849455215 /nfs/dbraw/zinc/45/52/15/849455215.db2.gz SQDCUQWEQNCZON-KBXIAJHMSA-N 2 2 299.484 0.923 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](CCN2CCOC2=O)C[C@@H]1C(F)(F)F ZINC000720871990 849554329 /nfs/dbraw/zinc/55/43/29/849554329.db2.gz NEFQBWWWPMGJNL-BDAKNGLRSA-N 2 2 281.278 0.508 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](CCN2CCOC2=O)C[C@@H]1C(F)(F)F ZINC000720871990 849554332 /nfs/dbraw/zinc/55/43/32/849554332.db2.gz NEFQBWWWPMGJNL-BDAKNGLRSA-N 2 2 281.278 0.508 20 0 CCADLP C[C@H](O)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC001114885355 849569931 /nfs/dbraw/zinc/56/99/31/849569931.db2.gz NXDISNNVCCFCPV-MUYACECFSA-N 2 2 292.383 0.160 20 0 CCADLP C[C@H](O)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC001114885355 849569936 /nfs/dbraw/zinc/56/99/36/849569936.db2.gz NXDISNNVCCFCPV-MUYACECFSA-N 2 2 292.383 0.160 20 0 CCADLP CC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1[NH2+]CCO ZINC001037948534 849610871 /nfs/dbraw/zinc/61/08/71/849610871.db2.gz JOIROAIDGOJWFO-NEPJUHHUSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]CCCn1cc[nH+]c1 ZINC000381357216 849753855 /nfs/dbraw/zinc/75/38/55/849753855.db2.gz NQKPZBPZBQCFMW-RYUDHWBXSA-N 2 2 250.346 0.920 20 0 CCADLP O=C(NC[C@@H]1CC[N@H+]1CCCO)[C@@H]1CCc2c[nH+]cn2C1 ZINC001038424442 849893180 /nfs/dbraw/zinc/89/31/80/849893180.db2.gz PPKJSLNRSUKYNC-OCCSQVGLSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(NC[C@@H]1CC[N@@H+]1CCCO)[C@@H]1CCc2c[nH+]cn2C1 ZINC001038424442 849893186 /nfs/dbraw/zinc/89/31/86/849893186.db2.gz PPKJSLNRSUKYNC-OCCSQVGLSA-N 2 2 292.383 0.018 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C(C)(C)O)C1 ZINC000721885236 849926183 /nfs/dbraw/zinc/92/61/83/849926183.db2.gz FLHAELXIVFDLMW-QWHCGFSZSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C(C)(C)O)C1 ZINC000721885236 849926188 /nfs/dbraw/zinc/92/61/88/849926188.db2.gz FLHAELXIVFDLMW-QWHCGFSZSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](C(C)(C)O)C1 ZINC000721885236 849926193 /nfs/dbraw/zinc/92/61/93/849926193.db2.gz FLHAELXIVFDLMW-QWHCGFSZSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](C(C)(C)O)C1 ZINC000721885236 849926197 /nfs/dbraw/zinc/92/61/97/849926197.db2.gz FLHAELXIVFDLMW-QWHCGFSZSA-N 2 2 274.405 0.018 20 0 CCADLP Cn1cc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2CC[NH+](C)C2)cn1 ZINC001039005358 850115648 /nfs/dbraw/zinc/11/56/48/850115648.db2.gz FDVAFWFPHFCTDY-ZIAGYGMSSA-N 2 2 291.399 0.062 20 0 CCADLP Cn1cc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2CC[NH+](C)C2)cn1 ZINC001039005358 850115652 /nfs/dbraw/zinc/11/56/52/850115652.db2.gz FDVAFWFPHFCTDY-ZIAGYGMSSA-N 2 2 291.399 0.062 20 0 CCADLP Cn1cc(C[NH+]2CC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001039005358 850115657 /nfs/dbraw/zinc/11/56/57/850115657.db2.gz FDVAFWFPHFCTDY-ZIAGYGMSSA-N 2 2 291.399 0.062 20 0 CCADLP Cn1cc(C[NH+]2CC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001039005358 850115663 /nfs/dbraw/zinc/11/56/63/850115663.db2.gz FDVAFWFPHFCTDY-ZIAGYGMSSA-N 2 2 291.399 0.062 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001039442947 850191342 /nfs/dbraw/zinc/19/13/42/850191342.db2.gz BOHGHNRUNJYRBO-YUTCNCBUSA-N 2 2 292.383 0.398 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001039442947 850191347 /nfs/dbraw/zinc/19/13/47/850191347.db2.gz BOHGHNRUNJYRBO-YUTCNCBUSA-N 2 2 292.383 0.398 20 0 CCADLP CC[N@@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001042385443 850623757 /nfs/dbraw/zinc/62/37/57/850623757.db2.gz SIOXMNONTLSPKW-STQMWFEESA-N 2 2 262.357 0.826 20 0 CCADLP CC[N@H+]1CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C[C@@H]21 ZINC001042385443 850623763 /nfs/dbraw/zinc/62/37/63/850623763.db2.gz SIOXMNONTLSPKW-STQMWFEESA-N 2 2 262.357 0.826 20 0 CCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C2C[NH+](CCO)C2)C1 ZINC001043602312 850907761 /nfs/dbraw/zinc/90/77/61/850907761.db2.gz GRUMBJJNTBDDCB-CYBMUJFWSA-N 2 2 283.416 0.243 20 0 CCADLP CCC[N@H+]1CCC[C@@H](C(=O)N(C)C2C[NH+](CCO)C2)C1 ZINC001043602312 850907766 /nfs/dbraw/zinc/90/77/66/850907766.db2.gz GRUMBJJNTBDDCB-CYBMUJFWSA-N 2 2 283.416 0.243 20 0 CCADLP CCCn1cc(C[N@H+](C)CCN2CC[NH+](C)CC2)cn1 ZINC001139039910 851053163 /nfs/dbraw/zinc/05/31/63/851053163.db2.gz GMLTVLIIBDNYTD-UHFFFAOYSA-N 2 2 279.432 0.972 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCO)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001044578350 851126857 /nfs/dbraw/zinc/12/68/57/851126857.db2.gz VIJJZTAVJITCOC-NEPJUHHUSA-N 2 2 280.372 0.304 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@]2(C)CC[NH+](CC3CCC3)C2)C1 ZINC001046216362 851427764 /nfs/dbraw/zinc/42/77/64/851427764.db2.gz AZKLCBOEYGBYAB-GOEBONIOSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N[C@]2(C)CC[NH+](CC3CCC3)C2)C1 ZINC001046216362 851427772 /nfs/dbraw/zinc/42/77/72/851427772.db2.gz AZKLCBOEYGBYAB-GOEBONIOSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@]2(C)CC[N@H+](CC3CCC3)C2)C1 ZINC001046216362 851427777 /nfs/dbraw/zinc/42/77/77/851427777.db2.gz AZKLCBOEYGBYAB-GOEBONIOSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@]2(C)CC[N@@H+](CC3CCC3)C2)C1 ZINC001046216362 851427784 /nfs/dbraw/zinc/42/77/84/851427784.db2.gz AZKLCBOEYGBYAB-GOEBONIOSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@]1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC[N@H+](CCO)C1 ZINC001046433577 851502059 /nfs/dbraw/zinc/50/20/59/851502059.db2.gz HPLZTFRNJGWPHY-SWLSCSKDSA-N 2 2 292.383 0.018 20 0 CCADLP C[C@@]1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC[N@@H+](CCO)C1 ZINC001046433577 851502071 /nfs/dbraw/zinc/50/20/71/851502071.db2.gz HPLZTFRNJGWPHY-SWLSCSKDSA-N 2 2 292.383 0.018 20 0 CCADLP CC(C)[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001047415897 851754533 /nfs/dbraw/zinc/75/45/33/851754533.db2.gz NEBKJRBXISPNKG-RFHZTLPTSA-N 2 2 292.383 0.425 20 0 CCADLP CC(C)[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001047415897 851754538 /nfs/dbraw/zinc/75/45/38/851754538.db2.gz NEBKJRBXISPNKG-RFHZTLPTSA-N 2 2 292.383 0.425 20 0 CCADLP CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001048074772 851888298 /nfs/dbraw/zinc/88/82/98/851888298.db2.gz RAGAANYBLYNIOK-RYUDHWBXSA-N 2 2 250.346 0.730 20 0 CCADLP CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001048074773 851888949 /nfs/dbraw/zinc/88/89/49/851888949.db2.gz RAGAANYBLYNIOK-VXGBXAGGSA-N 2 2 250.346 0.730 20 0 CCADLP C[C@H]([NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1)[C@H]1CCC[NH2+]1 ZINC000902499266 851961786 /nfs/dbraw/zinc/96/17/86/851961786.db2.gz IVNHTAFIJBPMLT-SDDRHHMPSA-N 2 2 277.372 0.491 20 0 CCADLP CO[C@@H](C)C[N@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001049248360 852203918 /nfs/dbraw/zinc/20/39/18/852203918.db2.gz VLQLSYRLNZWUEY-MELADBBJSA-N 2 2 292.383 0.308 20 0 CCADLP CO[C@@H](C)C[N@@H+]1C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001049248360 852203931 /nfs/dbraw/zinc/20/39/31/852203931.db2.gz VLQLSYRLNZWUEY-MELADBBJSA-N 2 2 292.383 0.308 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCO ZINC001049847747 852385629 /nfs/dbraw/zinc/38/56/29/852385629.db2.gz GEMFBTUZOLAOSP-UONOGXRCSA-N 2 2 292.383 0.020 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCO ZINC001049847747 852385635 /nfs/dbraw/zinc/38/56/35/852385635.db2.gz GEMFBTUZOLAOSP-UONOGXRCSA-N 2 2 292.383 0.020 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCO ZINC001049867799 852388962 /nfs/dbraw/zinc/38/89/62/852388962.db2.gz PHMLHIOSXJRWOJ-UONOGXRCSA-N 2 2 292.383 0.318 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCO ZINC001049867799 852388968 /nfs/dbraw/zinc/38/89/68/852388968.db2.gz PHMLHIOSXJRWOJ-UONOGXRCSA-N 2 2 292.383 0.318 20 0 CCADLP CC(C)C[NH+]1CC2(C1)CN(C(=O)[C@H]1CCC[N@H+]1C)CCO2 ZINC001053183542 852704313 /nfs/dbraw/zinc/70/43/13/852704313.db2.gz XRLRIPIDFTZOEJ-CQSZACIVSA-N 2 2 295.427 0.650 20 0 CCADLP CC(C)C[NH+]1CC2(C1)CN(C(=O)[C@H]1CCC[N@@H+]1C)CCO2 ZINC001053183542 852704304 /nfs/dbraw/zinc/70/43/04/852704304.db2.gz XRLRIPIDFTZOEJ-CQSZACIVSA-N 2 2 295.427 0.650 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)[C@H](C1CC1)[NH+](C)C)CCO2 ZINC001053287471 852722642 /nfs/dbraw/zinc/72/26/42/852722642.db2.gz ZRALVMRQLNONPW-ZDUSSCGKSA-N 2 2 281.400 0.260 20 0 CCADLP CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)CO2 ZINC001053756306 852806081 /nfs/dbraw/zinc/80/60/81/852806081.db2.gz TVFPPYGBDWXTKH-QWHCGFSZSA-N 2 2 281.400 0.450 20 0 CCADLP CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)CO2 ZINC001053756306 852806087 /nfs/dbraw/zinc/80/60/87/852806087.db2.gz TVFPPYGBDWXTKH-QWHCGFSZSA-N 2 2 281.400 0.450 20 0 CCADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)CO2 ZINC001053924801 852847159 /nfs/dbraw/zinc/84/71/59/852847159.db2.gz CEGUYRFJZCNGEA-CHWSQXEVSA-N 2 2 281.400 0.308 20 0 CCADLP CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)CO2 ZINC001053924801 852847162 /nfs/dbraw/zinc/84/71/62/852847162.db2.gz CEGUYRFJZCNGEA-CHWSQXEVSA-N 2 2 281.400 0.308 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001054248485 852897770 /nfs/dbraw/zinc/89/77/70/852897770.db2.gz VFBGFUQEFRVVQE-HNNXBMFYSA-N 2 2 292.383 0.190 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001054248485 852897771 /nfs/dbraw/zinc/89/77/71/852897771.db2.gz VFBGFUQEFRVVQE-HNNXBMFYSA-N 2 2 292.383 0.190 20 0 CCADLP CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001054716967 853001712 /nfs/dbraw/zinc/00/17/12/853001712.db2.gz AKHYHVAXHKJDCE-ZYHUDNBSSA-N 2 2 250.346 0.799 20 0 CCADLP CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001054716967 853001715 /nfs/dbraw/zinc/00/17/15/853001715.db2.gz AKHYHVAXHKJDCE-ZYHUDNBSSA-N 2 2 250.346 0.799 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2COCC[NH+]2CC)CC[N@@H+]1C ZINC001050930786 853487868 /nfs/dbraw/zinc/48/78/68/853487868.db2.gz LAZBKHNIKSGXNZ-MELADBBJSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2COCC[NH+]2CC)CC[N@H+]1C ZINC001050930786 853487876 /nfs/dbraw/zinc/48/78/76/853487876.db2.gz LAZBKHNIKSGXNZ-MELADBBJSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2COCC[N@@H+]2CC)CC[NH+]1C ZINC001050930786 853487879 /nfs/dbraw/zinc/48/78/79/853487879.db2.gz LAZBKHNIKSGXNZ-MELADBBJSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NC[C@H]2COCC[N@H+]2CC)CC[NH+]1C ZINC001050930786 853487888 /nfs/dbraw/zinc/48/78/88/853487888.db2.gz LAZBKHNIKSGXNZ-MELADBBJSA-N 2 2 283.416 0.554 20 0 CCADLP C[N@H+](Cc1ccc(OCC(N)=O)cc1)C1(C[NH3+])CCC1 ZINC000385460327 853893858 /nfs/dbraw/zinc/89/38/58/853893858.db2.gz KTCNONRGJDTDMM-UHFFFAOYSA-N 2 2 277.368 0.864 20 0 CCADLP C[N@@H+](Cc1ccc(OCC(N)=O)cc1)C1(C[NH3+])CCC1 ZINC000385460327 853893861 /nfs/dbraw/zinc/89/38/61/853893861.db2.gz KTCNONRGJDTDMM-UHFFFAOYSA-N 2 2 277.368 0.864 20 0 CCADLP C[C@](O)(C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(F)(F)F ZINC000389030674 853983322 /nfs/dbraw/zinc/98/33/22/853983322.db2.gz CZIWUXUMTOUNOO-VWYCJHECSA-N 2 2 282.306 0.753 20 0 CCADLP C[C@](O)(C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(F)(F)F ZINC000389030674 853983328 /nfs/dbraw/zinc/98/33/28/853983328.db2.gz CZIWUXUMTOUNOO-VWYCJHECSA-N 2 2 282.306 0.753 20 0 CCADLP CC[C@H](C(=O)N1CC[NH+]([C@H](C)COC)CC1)[NH+](C)C ZINC000151660800 854087148 /nfs/dbraw/zinc/08/71/48/854087148.db2.gz CJWWGXWZVPILHQ-CHWSQXEVSA-N 2 2 271.405 0.506 20 0 CCADLP CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC001072870460 854483542 /nfs/dbraw/zinc/48/35/42/854483542.db2.gz JUSOJWPJMWHSII-ZDUSSCGKSA-N 2 2 288.395 1.000 20 0 CCADLP CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC001072870460 854483546 /nfs/dbraw/zinc/48/35/46/854483546.db2.gz JUSOJWPJMWHSII-ZDUSSCGKSA-N 2 2 288.395 1.000 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC2(C1)CC[N@@H+](CCCF)C2 ZINC001073017666 854515192 /nfs/dbraw/zinc/51/51/92/854515192.db2.gz UJWXDGWYALUFNB-UHFFFAOYSA-N 2 2 280.347 0.846 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC2(C1)CC[N@H+](CCCF)C2 ZINC001073017666 854515196 /nfs/dbraw/zinc/51/51/96/854515196.db2.gz UJWXDGWYALUFNB-UHFFFAOYSA-N 2 2 280.347 0.846 20 0 CCADLP COC[C@H](C)[N@@H+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001073016171 854516018 /nfs/dbraw/zinc/51/60/18/854516018.db2.gz LPRZAXJRFQAQQT-LBPRGKRZSA-N 2 2 292.383 0.521 20 0 CCADLP COC[C@H](C)[N@H+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001073016171 854516021 /nfs/dbraw/zinc/51/60/21/854516021.db2.gz LPRZAXJRFQAQQT-LBPRGKRZSA-N 2 2 292.383 0.521 20 0 CCADLP CC(C)[N@@H+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001073127497 854535041 /nfs/dbraw/zinc/53/50/41/854535041.db2.gz CTTZDLBPLGYKJA-UHFFFAOYSA-N 2 2 276.384 0.905 20 0 CCADLP CC(C)[N@H+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001073127497 854535043 /nfs/dbraw/zinc/53/50/43/854535043.db2.gz CTTZDLBPLGYKJA-UHFFFAOYSA-N 2 2 276.384 0.905 20 0 CCADLP CC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC001074297923 854707904 /nfs/dbraw/zinc/70/79/04/854707904.db2.gz WRHBSNYDWZWKPL-ZIAGYGMSSA-N 2 2 292.383 0.513 20 0 CCADLP CC[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC001074297923 854707906 /nfs/dbraw/zinc/70/79/06/854707906.db2.gz WRHBSNYDWZWKPL-ZIAGYGMSSA-N 2 2 292.383 0.513 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CC2CCC2)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001074581825 854753164 /nfs/dbraw/zinc/75/31/64/854753164.db2.gz RTCYTFASOAWOIQ-QEJZJMRPSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CC2CCC2)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001074581825 854753165 /nfs/dbraw/zinc/75/31/65/854753165.db2.gz RTCYTFASOAWOIQ-QEJZJMRPSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001074695313 854767770 /nfs/dbraw/zinc/76/77/70/854767770.db2.gz UYEDBUYJCNHAKH-QCNOEVLYSA-N 2 2 278.356 0.085 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001074695313 854767771 /nfs/dbraw/zinc/76/77/71/854767771.db2.gz UYEDBUYJCNHAKH-QCNOEVLYSA-N 2 2 278.356 0.085 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001074867773 854793084 /nfs/dbraw/zinc/79/30/84/854793084.db2.gz DATGVZLZTVAKCC-TUAOUCFPSA-N 2 2 292.383 0.401 20 0 CCADLP C[C@H]1[C@@H]([NH2+]C[C@@H]2CCOC2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001074998579 854804401 /nfs/dbraw/zinc/80/44/01/854804401.db2.gz YSUFYNBEUQZYAJ-AVGNSLFASA-N 2 2 292.383 0.568 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC[N@H+](CCCF)C[C@H]1O ZINC001099871422 855014763 /nfs/dbraw/zinc/01/47/63/855014763.db2.gz DANDLVZIYLFBQA-QWHCGFSZSA-N 2 2 298.362 0.253 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC[N@@H+](CCCF)C[C@H]1O ZINC001099871422 855014756 /nfs/dbraw/zinc/01/47/56/855014756.db2.gz DANDLVZIYLFBQA-QWHCGFSZSA-N 2 2 298.362 0.253 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC[N@@H+](CCCF)C[C@H]1O ZINC001099871422 855014769 /nfs/dbraw/zinc/01/47/69/855014769.db2.gz DANDLVZIYLFBQA-QWHCGFSZSA-N 2 2 298.362 0.253 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC[N@H+](CCCF)C[C@H]1O ZINC001099871422 855014774 /nfs/dbraw/zinc/01/47/74/855014774.db2.gz DANDLVZIYLFBQA-QWHCGFSZSA-N 2 2 298.362 0.253 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001100138658 855106785 /nfs/dbraw/zinc/10/67/85/855106785.db2.gz JUTPRBFZAIVSFZ-STQMWFEESA-N 2 2 280.372 0.235 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001100138658 855106787 /nfs/dbraw/zinc/10/67/87/855106787.db2.gz JUTPRBFZAIVSFZ-STQMWFEESA-N 2 2 280.372 0.235 20 0 CCADLP [NH3+][C@H]1CCC[N@@H+](C2CCN(C(=O)C(F)(F)F)CC2)C1 ZINC001255969768 855107615 /nfs/dbraw/zinc/10/76/15/855107615.db2.gz FMSVZQLUHQZHAH-VIFPVBQESA-N 2 2 279.306 0.963 20 0 CCADLP [NH3+][C@H]1CCC[N@H+](C2CCN(C(=O)C(F)(F)F)CC2)C1 ZINC001255969768 855107616 /nfs/dbraw/zinc/10/76/16/855107616.db2.gz FMSVZQLUHQZHAH-VIFPVBQESA-N 2 2 279.306 0.963 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C2CC[NH+](C)CC2)CCCO1 ZINC001256210419 855225367 /nfs/dbraw/zinc/22/53/67/855225367.db2.gz IANGGXKDHWOFKE-LBPRGKRZSA-N 2 2 256.346 0.345 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C2CC[NH+](C)CC2)CCCO1 ZINC001256210419 855225374 /nfs/dbraw/zinc/22/53/74/855225374.db2.gz IANGGXKDHWOFKE-LBPRGKRZSA-N 2 2 256.346 0.345 20 0 CCADLP COCCC[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001101069099 855259340 /nfs/dbraw/zinc/25/93/40/855259340.db2.gz HNALOCZWGRFXHR-UHFFFAOYSA-N 2 2 280.372 0.404 20 0 CCADLP CCOCC[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001101069396 855259848 /nfs/dbraw/zinc/25/98/48/855259848.db2.gz NKJOHSADJHXUKO-UHFFFAOYSA-N 2 2 280.372 0.404 20 0 CCADLP COC[C@H](C)[N@H+]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102407811 855433324 /nfs/dbraw/zinc/43/33/24/855433324.db2.gz NEFAYNWUQPYUMV-FRRDWIJNSA-N 2 2 294.399 0.671 20 0 CCADLP COC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102407811 855433332 /nfs/dbraw/zinc/43/33/32/855433332.db2.gz NEFAYNWUQPYUMV-FRRDWIJNSA-N 2 2 294.399 0.671 20 0 CCADLP CC[N@H+]1C[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC001102531848 855443656 /nfs/dbraw/zinc/44/36/56/855443656.db2.gz IOMSXHBPTSEAPC-ZYHUDNBSSA-N 2 2 264.373 0.965 20 0 CCADLP CC[N@@H+]1C[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)[C@H](C)C1 ZINC001102531848 855443659 /nfs/dbraw/zinc/44/36/59/855443659.db2.gz IOMSXHBPTSEAPC-ZYHUDNBSSA-N 2 2 264.373 0.965 20 0 CCADLP CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001111502616 855578138 /nfs/dbraw/zinc/57/81/38/855578138.db2.gz NJMYXBOLKYQAJR-MCIONIFRSA-N 2 2 292.383 0.641 20 0 CCADLP CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001111502616 855578141 /nfs/dbraw/zinc/57/81/41/855578141.db2.gz NJMYXBOLKYQAJR-MCIONIFRSA-N 2 2 292.383 0.641 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001115340036 855663895 /nfs/dbraw/zinc/66/38/95/855663895.db2.gz JRXKOQMXHMMXLG-NHAGDIPZSA-N 2 2 292.383 0.092 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001115340036 855663897 /nfs/dbraw/zinc/66/38/97/855663897.db2.gz JRXKOQMXHMMXLG-NHAGDIPZSA-N 2 2 292.383 0.092 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+]CCCO)CCCCC1 ZINC001115790136 855697260 /nfs/dbraw/zinc/69/72/60/855697260.db2.gz JEWBCLAHGZFFBL-UHFFFAOYSA-N 2 2 294.399 0.743 20 0 CCADLP C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001118596438 856360525 /nfs/dbraw/zinc/36/05/25/856360525.db2.gz INHPKPUAHFNUED-QWRGUYRKSA-N 2 2 250.346 0.941 20 0 CCADLP c1ncc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cn1 ZINC001118628428 856372415 /nfs/dbraw/zinc/37/24/15/856372415.db2.gz KSZOZFSCESNJFF-CQSZACIVSA-N 2 2 262.357 0.820 20 0 CCADLP Cc1cc(CNC(=O)C(=O)NCC[C@H](C)[NH3+])cc(C)[nH+]1 ZINC001119294865 856616864 /nfs/dbraw/zinc/61/68/64/856616864.db2.gz LQQSGQQIKIAXDT-VIFPVBQESA-N 2 2 278.356 0.168 20 0 CCADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCc1c[nH+]cn1C ZINC001119482633 856701453 /nfs/dbraw/zinc/70/14/53/856701453.db2.gz LDVDIVVNFPUFAG-VHSXEESVSA-N 2 2 251.334 0.312 20 0 CCADLP C[NH+]1CCC(OCC(=O)NCCc2[nH]cc[nH+]2)CC1 ZINC001120046410 856970092 /nfs/dbraw/zinc/97/00/92/856970092.db2.gz CMVIXMXHIAXMFN-UHFFFAOYSA-N 2 2 266.345 0.179 20 0 CCADLP COCC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCCCC1 ZINC001120248580 857016795 /nfs/dbraw/zinc/01/67/95/857016795.db2.gz GCCOXFCNNCJNQS-UHFFFAOYSA-N 2 2 294.399 0.938 20 0 CCADLP C[C@H](C[NH2+]CCC(=O)Nc1cccnc1)[NH+](C)C ZINC001120466914 857080082 /nfs/dbraw/zinc/08/00/82/857080082.db2.gz FLRSQDDYNKXJDQ-LLVKDONJSA-N 2 2 250.346 0.950 20 0 CCADLP CC(C)C[N@H+](C)CCC[NH2+]C[C@H](C)S(C)(=O)=O ZINC001120503806 857096404 /nfs/dbraw/zinc/09/64/04/857096404.db2.gz ZBTBFGHWUCLJMI-LBPRGKRZSA-N 2 2 264.435 0.987 20 0 CCADLP CC(C)C[N@@H+](C)CCC[NH2+]C[C@H](C)S(C)(=O)=O ZINC001120503806 857096413 /nfs/dbraw/zinc/09/64/13/857096413.db2.gz ZBTBFGHWUCLJMI-LBPRGKRZSA-N 2 2 264.435 0.987 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001393526004 912625648 /nfs/dbraw/zinc/62/56/48/912625648.db2.gz VUDDCCNRFCSMOY-KBPBESRZSA-N 2 2 285.432 0.944 20 0 CCADLP CC[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001393580880 912660687 /nfs/dbraw/zinc/66/06/87/912660687.db2.gz DZUYVIHJVPCMEP-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP CO[C@H](C)C[NH2+]C1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001393733743 912730319 /nfs/dbraw/zinc/73/03/19/912730319.db2.gz NOVVSAPXHQCSJH-GFCCVEGCSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@@H](CC(=O)N1CC[C@](C)(C[NH2+]CCO)C1)n1cc[nH+]c1 ZINC001324798797 913043828 /nfs/dbraw/zinc/04/38/28/913043828.db2.gz PGJWQYUUUPYHRO-DZGCQCFKSA-N 2 2 294.399 0.655 20 0 CCADLP C[NH+]1CCC(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001324875386 913075162 /nfs/dbraw/zinc/07/51/62/913075162.db2.gz RHZCBVNURGJNNN-NSHDSACASA-N 2 2 262.357 0.656 20 0 CCADLP CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001480863924 891412867 /nfs/dbraw/zinc/41/28/67/891412867.db2.gz HMMLAWIVHFMLNP-STQMWFEESA-N 2 2 298.431 0.042 20 0 CCADLP CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001480863924 891412873 /nfs/dbraw/zinc/41/28/73/891412873.db2.gz HMMLAWIVHFMLNP-STQMWFEESA-N 2 2 298.431 0.042 20 0 CCADLP CNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001480863924 891412877 /nfs/dbraw/zinc/41/28/77/891412877.db2.gz HMMLAWIVHFMLNP-STQMWFEESA-N 2 2 298.431 0.042 20 0 CCADLP CNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001480863924 891412882 /nfs/dbraw/zinc/41/28/82/891412882.db2.gz HMMLAWIVHFMLNP-STQMWFEESA-N 2 2 298.431 0.042 20 0 CCADLP CC[C@H](C[NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1)OC ZINC001496193668 891923283 /nfs/dbraw/zinc/92/32/83/891923283.db2.gz ROAMDRCHCUKRJP-VXGBXAGGSA-N 2 2 282.388 0.814 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001283691278 892107291 /nfs/dbraw/zinc/10/72/91/892107291.db2.gz LFHCYMIGFMKVBK-WDEREUQCSA-N 2 2 268.361 0.424 20 0 CCADLP C[C@H](O)C[N@@H+]1CCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001481050368 892113433 /nfs/dbraw/zinc/11/34/33/892113433.db2.gz ODJMDDLLNXWUGU-QWHCGFSZSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001481050368 892113440 /nfs/dbraw/zinc/11/34/40/892113440.db2.gz ODJMDDLLNXWUGU-QWHCGFSZSA-N 2 2 280.372 0.235 20 0 CCADLP CCOCCC[N@@H+]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001481116550 892188523 /nfs/dbraw/zinc/18/85/23/892188523.db2.gz KLOHHWQHHAZMQR-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP CCOCCC[N@H+]1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001481116550 892188528 /nfs/dbraw/zinc/18/85/28/892188528.db2.gz KLOHHWQHHAZMQR-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP C[C@@H](O)CCC[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001481125788 892199717 /nfs/dbraw/zinc/19/97/17/892199717.db2.gz JELRLXZCYBUODD-ZIAGYGMSSA-N 2 2 294.399 0.482 20 0 CCADLP C[C@@H](O)CCC[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001481125788 892199728 /nfs/dbraw/zinc/19/97/28/892199728.db2.gz JELRLXZCYBUODD-ZIAGYGMSSA-N 2 2 294.399 0.482 20 0 CCADLP CO[C@H](C)C[NH2+]CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001481285515 892523182 /nfs/dbraw/zinc/52/31/82/892523182.db2.gz HRNPZUPZXPFPJN-QWHCGFSZSA-N 2 2 282.388 0.917 20 0 CCADLP COCCC[N@@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001481536279 892782973 /nfs/dbraw/zinc/78/29/73/892782973.db2.gz DYBOBBWOQZCUKF-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP COCCC[N@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001481536279 892782986 /nfs/dbraw/zinc/78/29/86/892782986.db2.gz DYBOBBWOQZCUKF-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001481597056 892880630 /nfs/dbraw/zinc/88/06/30/892880630.db2.gz NGMIMHUDHSSAEP-AAEUAGOBSA-N 2 2 271.405 0.408 20 0 CCADLP C[C@H](C[NH3+])C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001326063154 913728162 /nfs/dbraw/zinc/72/81/62/913728162.db2.gz YNUBLEXDLBGPSQ-NEPJUHHUSA-N 2 2 264.373 0.796 20 0 CCADLP CC(C)OCC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001481744321 893108335 /nfs/dbraw/zinc/10/83/35/893108335.db2.gz MOGRTBYYWPZRND-CQSZACIVSA-N 2 2 294.399 0.910 20 0 CCADLP CC(C)OCC[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001481744321 893108338 /nfs/dbraw/zinc/10/83/38/893108338.db2.gz MOGRTBYYWPZRND-CQSZACIVSA-N 2 2 294.399 0.910 20 0 CCADLP C[C@@H](O)C[NH2+]CC[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001481991017 893299403 /nfs/dbraw/zinc/29/94/03/893299403.db2.gz IMYMSIDDHLYUKH-KGLIPLIRSA-N 2 2 294.399 0.482 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]Cc1ccnn1C ZINC001482144952 893437491 /nfs/dbraw/zinc/43/74/91/893437491.db2.gz LZPRPGICVKYYFE-LLVKDONJSA-N 2 2 290.371 0.228 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H](C)C[NH2+]CCCO ZINC001482358489 893915218 /nfs/dbraw/zinc/91/52/18/893915218.db2.gz OGPHVKMMHBVTSD-JTQLQIEISA-N 2 2 268.361 0.080 20 0 CCADLP Cc1ncc(C[NH2+]CC[C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)o1 ZINC001482871780 894661834 /nfs/dbraw/zinc/66/18/34/894661834.db2.gz AIVDBSINMRGSIR-SNVBAGLBSA-N 2 2 291.355 0.933 20 0 CCADLP Cc1nocc1C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001483170631 895057165 /nfs/dbraw/zinc/05/71/65/895057165.db2.gz MMACUUATMZQNJS-SECBINFHSA-N 2 2 277.328 0.543 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cnon1 ZINC001409475299 895197592 /nfs/dbraw/zinc/19/75/92/895197592.db2.gz RRHNZZBNOOYBNM-VHSXEESVSA-N 2 2 292.343 0.258 20 0 CCADLP CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1nnc(C)o1)[NH+](C)C ZINC001483240778 895371194 /nfs/dbraw/zinc/37/11/94/895371194.db2.gz UHMZERSAWQQSLW-JBLDHEPKSA-N 2 2 297.403 0.874 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@H]1C[NH2+]CCCO ZINC001483938465 896126016 /nfs/dbraw/zinc/12/60/16/896126016.db2.gz WXEHHDAKGVJVOQ-ZDUSSCGKSA-N 2 2 294.399 0.316 20 0 CCADLP CC[C@@H](C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1)OC ZINC001397093866 914038127 /nfs/dbraw/zinc/03/81/27/914038127.db2.gz CUXPMJNBHJBOEY-XQQFMLRXSA-N 2 2 294.399 0.862 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001397104382 914047732 /nfs/dbraw/zinc/04/77/32/914047732.db2.gz ZDBUYJSNJIAWJY-LPWJVIDDSA-N 2 2 294.399 0.454 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001397104382 914047750 /nfs/dbraw/zinc/04/77/50/914047750.db2.gz ZDBUYJSNJIAWJY-LPWJVIDDSA-N 2 2 294.399 0.454 20 0 CCADLP CC(C)C[N@@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001484220766 896258135 /nfs/dbraw/zinc/25/81/35/896258135.db2.gz AXNMTHKUTDTDQS-OAHLLOKOSA-N 2 2 294.399 0.551 20 0 CCADLP CC(C)C[N@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001484220766 896258150 /nfs/dbraw/zinc/25/81/50/896258150.db2.gz AXNMTHKUTDTDQS-OAHLLOKOSA-N 2 2 294.399 0.551 20 0 CCADLP CC(C)C[N@@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001484220766 896258166 /nfs/dbraw/zinc/25/81/66/896258166.db2.gz AXNMTHKUTDTDQS-OAHLLOKOSA-N 2 2 294.399 0.551 20 0 CCADLP CC(C)C[N@H+]1CC[C@@](O)(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001484220766 896258175 /nfs/dbraw/zinc/25/81/75/896258175.db2.gz AXNMTHKUTDTDQS-OAHLLOKOSA-N 2 2 294.399 0.551 20 0 CCADLP CCOCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001484358762 896353472 /nfs/dbraw/zinc/35/34/72/896353472.db2.gz OVXZJBIZUDISMU-UONOGXRCSA-N 2 2 294.399 0.746 20 0 CCADLP CCCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001484696334 896552030 /nfs/dbraw/zinc/55/20/30/896552030.db2.gz QIALFFDBDILSFM-GFCCVEGCSA-N 2 2 280.372 0.569 20 0 CCADLP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]Cc1ccnn1C ZINC001485204793 896863053 /nfs/dbraw/zinc/86/30/53/896863053.db2.gz LMNDITIZCOVVGW-WDEREUQCSA-N 2 2 290.371 0.369 20 0 CCADLP Cc1noc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)n1 ZINC001485228308 896877557 /nfs/dbraw/zinc/87/75/57/896877557.db2.gz CTOCRUVPDSHRTG-WDEREUQCSA-N 2 2 297.403 0.701 20 0 CCADLP Cc1noc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)C(C)C)n1 ZINC001485228308 896877569 /nfs/dbraw/zinc/87/75/69/896877569.db2.gz CTOCRUVPDSHRTG-WDEREUQCSA-N 2 2 297.403 0.701 20 0 CCADLP CCC[NH2+]C[C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001485701994 897195380 /nfs/dbraw/zinc/19/53/80/897195380.db2.gz DWUGISLXBMCQAF-HAQNSBGRSA-N 2 2 264.373 0.857 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1C ZINC001326770455 914153839 /nfs/dbraw/zinc/15/38/39/914153839.db2.gz MZQAUYNPZHWBCS-MNOVXSKESA-N 2 2 250.346 0.562 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1C ZINC001326770455 914153851 /nfs/dbraw/zinc/15/38/51/914153851.db2.gz MZQAUYNPZHWBCS-MNOVXSKESA-N 2 2 250.346 0.562 20 0 CCADLP COC[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CCn1cc[nH+]c1 ZINC001367385752 897624338 /nfs/dbraw/zinc/62/43/38/897624338.db2.gz SSJQWTIKSVOVOB-QWHCGFSZSA-N 2 2 282.388 0.745 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)N2CC[C@H]3C[C@H]3C2)CC1 ZINC001336942029 921119956 /nfs/dbraw/zinc/11/99/56/921119956.db2.gz LVFFWWXOHYAIGF-RYUDHWBXSA-N 2 2 266.389 0.461 20 0 CCADLP CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001485891040 898491240 /nfs/dbraw/zinc/49/12/40/898491240.db2.gz PVCUCMJSLQZHFO-VXGBXAGGSA-N 2 2 264.373 0.902 20 0 CCADLP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]Cc1cnn(C)c1 ZINC001485928197 898513108 /nfs/dbraw/zinc/51/31/08/898513108.db2.gz VNOHBDYDJWEEGZ-LLVKDONJSA-N 2 2 290.371 0.322 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001485944426 898530065 /nfs/dbraw/zinc/53/00/65/898530065.db2.gz DPZDOINMOMSCLV-RYUDHWBXSA-N 2 2 282.388 0.434 20 0 CCADLP COC[C@H](C)[NH2+][C@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001485961772 898564311 /nfs/dbraw/zinc/56/43/11/898564311.db2.gz GSVPBOLOSJCXLO-NEPJUHHUSA-N 2 2 268.361 0.355 20 0 CCADLP C[C@H](O)C[NH+]1CCC([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001486449630 898878281 /nfs/dbraw/zinc/87/82/81/898878281.db2.gz JTUGYSWMBFVKGP-RYUDHWBXSA-N 2 2 294.399 0.550 20 0 CCADLP CC[C@H](C(=O)NCC1C[NH+]([C@@H](C)C(N)=O)C1)[NH+](CC)CC ZINC001494591732 899152166 /nfs/dbraw/zinc/15/21/66/899152166.db2.gz IYZMJILDJZMIAW-WCQYABFASA-N 2 2 298.431 0.029 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001410503710 899442583 /nfs/dbraw/zinc/44/25/83/899442583.db2.gz YRUFXCGUJPUJFN-NWDGAFQWSA-N 2 2 282.388 0.170 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CCn1cc(Cl)cn1 ZINC001134397863 899833915 /nfs/dbraw/zinc/83/39/15/899833915.db2.gz WTIGIVGVLHUGFH-UHFFFAOYSA-N 2 2 296.762 0.208 20 0 CCADLP Nc1cc[nH+]cc1C[N@@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205672215 900048991 /nfs/dbraw/zinc/04/89/91/900048991.db2.gz GWZZSSXIOUBGCD-ZDUSSCGKSA-N 3 2 250.346 0.170 20 0 CCADLP Nc1cc[nH+]cc1C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205672215 900048995 /nfs/dbraw/zinc/04/89/95/900048995.db2.gz GWZZSSXIOUBGCD-ZDUSSCGKSA-N 3 2 250.346 0.170 20 0 CCADLP CC(C)[NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001488882727 900411646 /nfs/dbraw/zinc/41/16/46/900411646.db2.gz GJMLKUSVEWNFQF-HAQNSBGRSA-N 2 2 250.346 0.776 20 0 CCADLP CC[N@H+](CCO)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001489166690 900444836 /nfs/dbraw/zinc/44/48/36/900444836.db2.gz DXZZMYZKYRDWFT-GFCCVEGCSA-N 2 2 280.372 0.257 20 0 CCADLP CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001489166690 900444839 /nfs/dbraw/zinc/44/48/39/900444839.db2.gz DXZZMYZKYRDWFT-GFCCVEGCSA-N 2 2 280.372 0.257 20 0 CCADLP C[NH+](C)CCC(=O)NCCC[N@H+](C)Cc1cnns1 ZINC001490245347 900580780 /nfs/dbraw/zinc/58/07/80/900580780.db2.gz RSQACZBJYFIUEB-UHFFFAOYSA-N 2 2 285.417 0.428 20 0 CCADLP C[NH+](C)CCC(=O)NCCC[N@@H+](C)Cc1cnns1 ZINC001490245347 900580792 /nfs/dbraw/zinc/58/07/92/900580792.db2.gz RSQACZBJYFIUEB-UHFFFAOYSA-N 2 2 285.417 0.428 20 0 CCADLP CC[N@H+](C)CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001490217233 900585477 /nfs/dbraw/zinc/58/54/77/900585477.db2.gz LOQUVWPEAHZEMR-GFCCVEGCSA-N 2 2 264.373 0.904 20 0 CCADLP CC[N@@H+](C)CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001490217233 900585481 /nfs/dbraw/zinc/58/54/81/900585481.db2.gz LOQUVWPEAHZEMR-GFCCVEGCSA-N 2 2 264.373 0.904 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC001412058551 901434086 /nfs/dbraw/zinc/43/40/86/901434086.db2.gz STLGRLJLNBJFGK-UHFFFAOYSA-N 2 2 293.415 0.403 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC001412058551 901434094 /nfs/dbraw/zinc/43/40/94/901434094.db2.gz STLGRLJLNBJFGK-UHFFFAOYSA-N 2 2 293.415 0.403 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001412523474 901787614 /nfs/dbraw/zinc/78/76/14/901787614.db2.gz UUOPDDXCLNVYGZ-UONOGXRCSA-N 2 2 292.383 0.331 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001412523474 901787626 /nfs/dbraw/zinc/78/76/26/901787626.db2.gz UUOPDDXCLNVYGZ-UONOGXRCSA-N 2 2 292.383 0.331 20 0 CCADLP CCC1([NH2+]CCOC)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001327488825 914569219 /nfs/dbraw/zinc/56/92/19/914569219.db2.gz RJTQWGRYAPWJPK-UHFFFAOYSA-N 2 2 294.399 0.959 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001412639741 901895239 /nfs/dbraw/zinc/89/52/39/901895239.db2.gz OMIVCIWBHANJDI-KGLIPLIRSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001412639741 901895261 /nfs/dbraw/zinc/89/52/61/901895261.db2.gz OMIVCIWBHANJDI-KGLIPLIRSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]CC[C@H]1CCCO1 ZINC001495748924 902111002 /nfs/dbraw/zinc/11/10/02/902111002.db2.gz SRIJCGVEXIJDAE-TZMCWYRMSA-N 2 2 294.399 0.863 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001398309802 914616958 /nfs/dbraw/zinc/61/69/58/914616958.db2.gz BKTSZKFIENJQRW-STQMWFEESA-N 2 2 294.399 0.578 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001398309802 914616966 /nfs/dbraw/zinc/61/69/66/914616966.db2.gz BKTSZKFIENJQRW-STQMWFEESA-N 2 2 294.399 0.578 20 0 CCADLP CCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001398315575 914623391 /nfs/dbraw/zinc/62/33/91/914623391.db2.gz ZNYFSCLSJSYBGR-CHWSQXEVSA-N 2 2 298.431 0.043 20 0 CCADLP CCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001398315575 914623408 /nfs/dbraw/zinc/62/34/08/914623408.db2.gz ZNYFSCLSJSYBGR-CHWSQXEVSA-N 2 2 298.431 0.043 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)NC(C)C)C1 ZINC001398339771 914626801 /nfs/dbraw/zinc/62/68/01/914626801.db2.gz NIVOGSRNNLRIJC-CYBMUJFWSA-N 2 2 298.431 0.043 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)NC(C)C)C1 ZINC001398339771 914626814 /nfs/dbraw/zinc/62/68/14/914626814.db2.gz NIVOGSRNNLRIJC-CYBMUJFWSA-N 2 2 298.431 0.043 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NC(C)C)C1 ZINC001398339771 914626827 /nfs/dbraw/zinc/62/68/27/914626827.db2.gz NIVOGSRNNLRIJC-CYBMUJFWSA-N 2 2 298.431 0.043 20 0 CCADLP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NC(C)C)C1 ZINC001398339771 914626840 /nfs/dbraw/zinc/62/68/40/914626840.db2.gz NIVOGSRNNLRIJC-CYBMUJFWSA-N 2 2 298.431 0.043 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001493241647 903187362 /nfs/dbraw/zinc/18/73/62/903187362.db2.gz VOJYFLRHIPJPHH-STQMWFEESA-N 2 2 292.383 0.427 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001493241647 903187372 /nfs/dbraw/zinc/18/73/72/903187372.db2.gz VOJYFLRHIPJPHH-STQMWFEESA-N 2 2 292.383 0.427 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]CCF)C1 ZINC001491039954 903303813 /nfs/dbraw/zinc/30/38/13/903303813.db2.gz RBZPOYKFCIIHAM-PHIMTYICSA-N 2 2 254.309 0.480 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001491180078 903430984 /nfs/dbraw/zinc/43/09/84/903430984.db2.gz OSEXAKBUUFOFCN-OLZOCXBDSA-N 2 2 294.399 0.172 20 0 CCADLP CCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CC[NH2+]C1 ZINC001330985660 903939085 /nfs/dbraw/zinc/93/90/85/903939085.db2.gz UDGAJTOOBQHWSY-VXGBXAGGSA-N 2 2 262.357 0.656 20 0 CCADLP C[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C[C@@H]1CCCCO1 ZINC001377228891 904703328 /nfs/dbraw/zinc/70/33/28/904703328.db2.gz POMSHSVRHGAWFD-ZDUSSCGKSA-N 2 2 280.372 0.569 20 0 CCADLP C[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C[C@@H]1CCCCO1 ZINC001377228891 904703335 /nfs/dbraw/zinc/70/33/35/904703335.db2.gz POMSHSVRHGAWFD-ZDUSSCGKSA-N 2 2 280.372 0.569 20 0 CCADLP Cc1nocc1C[N@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001377254249 904728282 /nfs/dbraw/zinc/72/82/82/904728282.db2.gz YVOJTJQQIVDHDV-ZDUSSCGKSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1nocc1C[N@@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001377254249 904728300 /nfs/dbraw/zinc/72/83/00/904728300.db2.gz YVOJTJQQIVDHDV-ZDUSSCGKSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1nocc1C[NH+](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001377254249 904728319 /nfs/dbraw/zinc/72/83/19/904728319.db2.gz YVOJTJQQIVDHDV-ZDUSSCGKSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1nocc1C[NH+](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001377254249 904728334 /nfs/dbraw/zinc/72/83/34/904728334.db2.gz YVOJTJQQIVDHDV-ZDUSSCGKSA-N 2 2 294.399 0.873 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC[NH+]2CCF)C1 ZINC001377408006 904854495 /nfs/dbraw/zinc/85/44/95/904854495.db2.gz AOBWCMBKKHOVHT-STQMWFEESA-N 2 2 271.380 0.878 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCC[NH+]2CCF)C1 ZINC001377408006 904854508 /nfs/dbraw/zinc/85/45/08/904854508.db2.gz AOBWCMBKKHOVHT-STQMWFEESA-N 2 2 271.380 0.878 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CCC[N@@H+]2CCF)C1 ZINC001377408006 904854516 /nfs/dbraw/zinc/85/45/16/904854516.db2.gz AOBWCMBKKHOVHT-STQMWFEESA-N 2 2 271.380 0.878 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CCC[N@H+]2CCF)C1 ZINC001377408006 904854525 /nfs/dbraw/zinc/85/45/25/904854525.db2.gz AOBWCMBKKHOVHT-STQMWFEESA-N 2 2 271.380 0.878 20 0 CCADLP COCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC001284017493 905119918 /nfs/dbraw/zinc/11/99/18/905119918.db2.gz OYHUENMXWASYJO-CHWSQXEVSA-N 2 2 294.399 0.578 20 0 CCADLP CC[NH+](CC)C[C@H](F)C(=O)NC1C[NH+]([C@H](C)COC)C1 ZINC001377877989 905212280 /nfs/dbraw/zinc/21/22/80/905212280.db2.gz AGXNHYWXQMNXSC-YPMHNXCESA-N 2 2 289.395 0.502 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCO ZINC001378037697 905359820 /nfs/dbraw/zinc/35/98/20/905359820.db2.gz CXRQQCMFVNQIKM-KBPBESRZSA-N 2 2 292.383 0.249 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCO ZINC001378037697 905359841 /nfs/dbraw/zinc/35/98/41/905359841.db2.gz CXRQQCMFVNQIKM-KBPBESRZSA-N 2 2 292.383 0.249 20 0 CCADLP CN(C(=O)CCc1c[nH+]cn1C)[C@H]1CC[N@H+](CCCO)C1 ZINC001378193698 905486695 /nfs/dbraw/zinc/48/66/95/905486695.db2.gz VGYYDKANRRIBOW-AWEZNQCLSA-N 2 2 294.399 0.268 20 0 CCADLP CN(C(=O)CCc1c[nH+]cn1C)[C@H]1CC[N@@H+](CCCO)C1 ZINC001378193698 905486707 /nfs/dbraw/zinc/48/67/07/905486707.db2.gz VGYYDKANRRIBOW-AWEZNQCLSA-N 2 2 294.399 0.268 20 0 CCADLP CCC[N@H+](C)CCC(=O)NC1(CCO)C[NH+](CC)C1 ZINC001378356711 905609698 /nfs/dbraw/zinc/60/96/98/905609698.db2.gz NLFFFCRZNOTBKI-UHFFFAOYSA-N 2 2 271.405 0.291 20 0 CCADLP CCC[N@@H+](C)CCC(=O)NC1(CCO)C[NH+](CC)C1 ZINC001378356711 905609708 /nfs/dbraw/zinc/60/97/08/905609708.db2.gz NLFFFCRZNOTBKI-UHFFFAOYSA-N 2 2 271.405 0.291 20 0 CCADLP C[C@@H](O)C[NH+]1CC([C@H](C)NC(=O)CCc2[nH+]ccn2C)C1 ZINC001378534670 905666345 /nfs/dbraw/zinc/66/63/45/905666345.db2.gz KYITWLWCGTWNLL-NEPJUHHUSA-N 2 2 294.399 0.170 20 0 CCADLP COCC[NH+]1CC([C@H](C)NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001378592953 905700080 /nfs/dbraw/zinc/70/00/80/905700080.db2.gz OZPMQKBVOIHUDH-JTQLQIEISA-N 2 2 280.372 0.344 20 0 CCADLP COCC[NH+]1CC([C@H](C)NC(=O)CCc2c[nH+]cn2C)C1 ZINC001378592921 905700231 /nfs/dbraw/zinc/70/02/31/905700231.db2.gz OZFIAVDEGCHTMW-LBPRGKRZSA-N 2 2 294.399 0.436 20 0 CCADLP COC[C@H](C)[NH2+]C[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001378612619 905709133 /nfs/dbraw/zinc/70/91/33/905709133.db2.gz GSWROLCUNDCQFC-RYUDHWBXSA-N 2 2 282.388 0.339 20 0 CCADLP C[C@H]([NH2+]CCF)[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001378774903 905815448 /nfs/dbraw/zinc/81/54/48/905815448.db2.gz VFFFRTNCRSYGML-STQMWFEESA-N 2 2 298.362 0.448 20 0 CCADLP CN(CC[N@H+](C)Cc1ccn(C)n1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001379134820 906013188 /nfs/dbraw/zinc/01/31/88/906013188.db2.gz VFMWLUBUFSPYGU-CYBMUJFWSA-N 2 2 293.415 0.262 20 0 CCADLP CN(CC[N@@H+](C)Cc1ccn(C)n1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001379134820 906013204 /nfs/dbraw/zinc/01/32/04/906013204.db2.gz VFMWLUBUFSPYGU-CYBMUJFWSA-N 2 2 293.415 0.262 20 0 CCADLP CN(CC[NH+](C)Cc1ccn(C)n1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001379134820 906013222 /nfs/dbraw/zinc/01/32/22/906013222.db2.gz VFMWLUBUFSPYGU-CYBMUJFWSA-N 2 2 293.415 0.262 20 0 CCADLP CN(CC[NH+](C)Cc1ccn(C)n1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379134820 906013238 /nfs/dbraw/zinc/01/32/38/906013238.db2.gz VFMWLUBUFSPYGU-CYBMUJFWSA-N 2 2 293.415 0.262 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NC[C@@H](O)C[NH2+]CC(C)C ZINC001379215302 906065196 /nfs/dbraw/zinc/06/51/96/906065196.db2.gz HFRWQRARIPCDIM-ZDUSSCGKSA-N 2 2 295.383 0.355 20 0 CCADLP C[C@@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]CC[C@@H]1CCOC1 ZINC001379266532 906102839 /nfs/dbraw/zinc/10/28/39/906102839.db2.gz FNVINGXDDMFSNI-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP Cc1noc(C[NH2+]C[C@@H](C)NC(=O)Cn2cc[nH+]c2C)n1 ZINC001379472283 906265612 /nfs/dbraw/zinc/26/56/12/906265612.db2.gz WTROHXVGMOUKRD-SECBINFHSA-N 2 2 292.343 0.177 20 0 CCADLP C[C@@H](C[NH2+]C[C@H]1CCOC1)NC(=O)CCc1[nH+]ccn1C ZINC001379529125 906325343 /nfs/dbraw/zinc/32/53/43/906325343.db2.gz DTVNPHIZCZDIQK-QWHCGFSZSA-N 2 2 294.399 0.484 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001379594418 906370109 /nfs/dbraw/zinc/37/01/09/906370109.db2.gz HZXKIFCWIZOTDD-NWDGAFQWSA-N 2 2 282.388 0.482 20 0 CCADLP CC(C)[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001379799296 906485661 /nfs/dbraw/zinc/48/56/61/906485661.db2.gz IWSTWQOLSSJZER-GXTWGEPZSA-N 2 2 294.399 0.263 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[C@@H]1[NH3+] ZINC001335307477 906649325 /nfs/dbraw/zinc/64/93/25/906649325.db2.gz DPEBDYKLAFTWOU-QCNOEVLYSA-N 2 2 262.357 0.719 20 0 CCADLP CC[NH2+]CC1(O)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001381158694 907098856 /nfs/dbraw/zinc/09/88/56/907098856.db2.gz WQNSIZJAECGFSS-UHFFFAOYSA-N 2 2 294.399 0.650 20 0 CCADLP Cc1nocc1C[NH2+][C@@H](C)CCNC(=O)Cc1[nH]cc[nH+]1 ZINC001381222228 907123510 /nfs/dbraw/zinc/12/35/10/907123510.db2.gz XWFWDYXADLLDAC-JTQLQIEISA-N 2 2 291.355 0.933 20 0 CCADLP COCC[NH2+]C[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001491839265 907597705 /nfs/dbraw/zinc/59/77/05/907597705.db2.gz VKTPEXBWUJXZJU-UONOGXRCSA-N 2 2 294.399 0.919 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)CCNC(=O)Cn2cc[nH+]c2)o1 ZINC001492133177 907734844 /nfs/dbraw/zinc/73/48/44/907734844.db2.gz QCDAIPRARQNRQP-SNVBAGLBSA-N 2 2 292.343 0.259 20 0 CCADLP C[NH+](C)CC[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001303479199 908085809 /nfs/dbraw/zinc/08/58/09/908085809.db2.gz VQELACPTWCKISJ-NSHDSACASA-N 2 2 250.346 0.752 20 0 CCADLP Cc1nnc(CC[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)o1 ZINC001308119781 908387495 /nfs/dbraw/zinc/38/74/95/908387495.db2.gz GCYUVOOSSWBFOW-YPMHNXCESA-N 2 2 250.346 0.804 20 0 CCADLP Cc1nnc(CC[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)o1 ZINC001308119781 908387507 /nfs/dbraw/zinc/38/75/07/908387507.db2.gz GCYUVOOSSWBFOW-YPMHNXCESA-N 2 2 250.346 0.804 20 0 CCADLP Cc1nnc(CC[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)o1 ZINC001308119781 908387522 /nfs/dbraw/zinc/38/75/22/908387522.db2.gz GCYUVOOSSWBFOW-YPMHNXCESA-N 2 2 250.346 0.804 20 0 CCADLP Cc1nnc(CC[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)o1 ZINC001308119781 908387538 /nfs/dbraw/zinc/38/75/38/908387538.db2.gz GCYUVOOSSWBFOW-YPMHNXCESA-N 2 2 250.346 0.804 20 0 CCADLP C[NH2+]C[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001328842703 908713191 /nfs/dbraw/zinc/71/31/91/908713191.db2.gz UVHLICFSQFNZMD-NWDGAFQWSA-N 2 2 250.346 0.902 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001317095774 908975254 /nfs/dbraw/zinc/97/52/54/908975254.db2.gz RMVXROJMJYQYJF-SRVKXCTJSA-N 2 2 266.345 0.155 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001317095773 908976071 /nfs/dbraw/zinc/97/60/71/908976071.db2.gz RMVXROJMJYQYJF-IJLUTSLNSA-N 2 2 266.345 0.155 20 0 CCADLP CC[C@H](F)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001317127389 908999678 /nfs/dbraw/zinc/99/96/78/908999678.db2.gz CQOQDDKQXFFWJV-SDDRHHMPSA-N 2 2 268.336 0.868 20 0 CCADLP COCC[NH2+]C1CCC(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001317218389 909052902 /nfs/dbraw/zinc/05/29/02/909052902.db2.gz CPBCBYUZHDGTDM-UHFFFAOYSA-N 2 2 294.399 0.937 20 0 CCADLP COCC[NH2+]C1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001317227305 909059306 /nfs/dbraw/zinc/05/93/06/909059306.db2.gz YCBJJKMUEPVTTE-UHFFFAOYSA-N 2 2 280.372 0.616 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CCCF ZINC001317265064 909101615 /nfs/dbraw/zinc/10/16/15/909101615.db2.gz OYNCRXHMAFHISI-QJPTWQEYSA-N 2 2 282.363 0.978 20 0 CCADLP C[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)Cn1cc[nH+]c1 ZINC001338463867 921473965 /nfs/dbraw/zinc/47/39/65/921473965.db2.gz XJXCAPDWIOTAFQ-KBPBESRZSA-N 3 2 266.389 0.566 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001317430816 909194427 /nfs/dbraw/zinc/19/44/27/909194427.db2.gz BOYVWTAFXLOJLC-CQSZACIVSA-N 2 2 294.399 0.959 20 0 CCADLP COCC[N@H+]1CCC[C@H]1CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001317430816 909194435 /nfs/dbraw/zinc/19/44/35/909194435.db2.gz BOYVWTAFXLOJLC-CQSZACIVSA-N 2 2 294.399 0.959 20 0 CCADLP Cc1cnc(C[NH2+]CCN(C)C(=O)C2(C[NH+](C)C)CC2)o1 ZINC001317622645 909417429 /nfs/dbraw/zinc/41/74/29/909417429.db2.gz HGUCKFPFMAXOJB-UHFFFAOYSA-N 2 2 294.399 0.873 20 0 CCADLP CCC[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001317627014 909421807 /nfs/dbraw/zinc/42/18/07/909421807.db2.gz CLPMEMYNAZIPHM-VXGBXAGGSA-N 2 2 264.373 0.982 20 0 CCADLP Cc1ccnc(C[NH2+]CCN(C)C(=O)C[NH+]2CCCC2)n1 ZINC001317662341 909454580 /nfs/dbraw/zinc/45/45/80/909454580.db2.gz XMIDWAZLORHZDC-UHFFFAOYSA-N 2 2 291.399 0.429 20 0 CCADLP C[C@H](C[NH2+]C[C@@H]1CCCC[N@H+](C)C1)S(C)(=O)=O ZINC001338519749 921498196 /nfs/dbraw/zinc/49/81/96/921498196.db2.gz MVVWKRPCCJOOSQ-NEPJUHHUSA-N 2 2 262.419 0.741 20 0 CCADLP C[C@H](C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1)S(C)(=O)=O ZINC001338519749 921498201 /nfs/dbraw/zinc/49/82/01/921498201.db2.gz MVVWKRPCCJOOSQ-NEPJUHHUSA-N 2 2 262.419 0.741 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)C1)n1cc[nH+]c1 ZINC001318352626 909721858 /nfs/dbraw/zinc/72/18/58/909721858.db2.gz GNGGYDMBABOBIB-NEPJUHHUSA-N 2 2 250.346 0.902 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)C1)n1cc[nH+]c1 ZINC001318352626 909721872 /nfs/dbraw/zinc/72/18/72/909721872.db2.gz GNGGYDMBABOBIB-NEPJUHHUSA-N 2 2 250.346 0.902 20 0 CCADLP COCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001319485059 910171443 /nfs/dbraw/zinc/17/14/43/910171443.db2.gz FGPVNWUVUAWICI-STQMWFEESA-N 2 2 294.399 0.528 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CCC[N@@H+](CCCO)C1 ZINC001390046969 910203400 /nfs/dbraw/zinc/20/34/00/910203400.db2.gz VEOQRKDOHYLROD-CYBMUJFWSA-N 2 2 294.399 0.553 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CCC[N@H+](CCCO)C1 ZINC001390046969 910203422 /nfs/dbraw/zinc/20/34/22/910203422.db2.gz VEOQRKDOHYLROD-CYBMUJFWSA-N 2 2 294.399 0.553 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CCC[N@@H+](CCCO)C1 ZINC001390046969 910203439 /nfs/dbraw/zinc/20/34/39/910203439.db2.gz VEOQRKDOHYLROD-CYBMUJFWSA-N 2 2 294.399 0.553 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CCC[N@H+](CCCO)C1 ZINC001390046969 910203457 /nfs/dbraw/zinc/20/34/57/910203457.db2.gz VEOQRKDOHYLROD-CYBMUJFWSA-N 2 2 294.399 0.553 20 0 CCADLP Cc1cc(C[NH2+][C@H](C)CNC(=O)Cn2c[nH+]cc2C)on1 ZINC001390436452 910412402 /nfs/dbraw/zinc/41/24/02/910412402.db2.gz LARFAMARGYZEFR-LLVKDONJSA-N 2 2 291.355 0.782 20 0 CCADLP CC[N@H+](C)CCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001320020668 910418377 /nfs/dbraw/zinc/41/83/77/910418377.db2.gz KGMSPANOBXIMNM-LBPRGKRZSA-N 2 2 264.373 0.856 20 0 CCADLP CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001320020668 910418391 /nfs/dbraw/zinc/41/83/91/910418391.db2.gz KGMSPANOBXIMNM-LBPRGKRZSA-N 2 2 264.373 0.856 20 0 CCADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]C[C@H]1CCOC1 ZINC001390457761 910433016 /nfs/dbraw/zinc/43/30/16/910433016.db2.gz MLNMSFGIVMHCLT-QWHCGFSZSA-N 2 2 280.372 0.404 20 0 CCADLP C[C@H](C(=O)N1CC[C@H](C[NH+](C)C)C1)n1cc[nH+]c1 ZINC001320070062 910447761 /nfs/dbraw/zinc/44/77/61/910447761.db2.gz DOEHITXVDCNXGN-VXGBXAGGSA-N 2 2 250.346 0.854 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccccn1 ZINC001390542111 910502728 /nfs/dbraw/zinc/50/27/28/910502728.db2.gz JJJPMEWMLDFCBO-LBPRGKRZSA-N 2 2 273.340 0.573 20 0 CCADLP CC[C@H](C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1)OC ZINC001390563707 910520842 /nfs/dbraw/zinc/52/08/42/910520842.db2.gz LENQKSKYZGXNRB-WCQYABFASA-N 2 2 280.372 0.568 20 0 CCADLP CN(C[C@@H]1CC[N@@H+]1Cc1cnn(C)c1)C(=O)CC[NH+](C)C ZINC001417746583 921590158 /nfs/dbraw/zinc/59/01/58/921590158.db2.gz FUSCPAFUPKMXMK-AWEZNQCLSA-N 2 2 293.415 0.405 20 0 CCADLP CN(C[C@@H]1CC[N@H+]1Cc1cnn(C)c1)C(=O)CC[NH+](C)C ZINC001417746583 921590165 /nfs/dbraw/zinc/59/01/65/921590165.db2.gz FUSCPAFUPKMXMK-AWEZNQCLSA-N 2 2 293.415 0.405 20 0 CCADLP CC(C)[NH2+]C[C@H](O)CNC(=O)CCCn1cc[nH+]c1 ZINC001320318083 910606998 /nfs/dbraw/zinc/60/69/98/910606998.db2.gz UFZVITFMAZFISN-LBPRGKRZSA-N 2 2 268.361 0.138 20 0 CCADLP C[N@H+](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)CC1CC1 ZINC001390780729 910671119 /nfs/dbraw/zinc/67/11/19/910671119.db2.gz CFCIOIZAGXONAM-CYBMUJFWSA-N 2 2 276.384 0.904 20 0 CCADLP C[N@@H+](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)CC1CC1 ZINC001390780729 910671124 /nfs/dbraw/zinc/67/11/24/910671124.db2.gz CFCIOIZAGXONAM-CYBMUJFWSA-N 2 2 276.384 0.904 20 0 CCADLP C[C@@H](O)CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001417758480 921599584 /nfs/dbraw/zinc/59/95/84/921599584.db2.gz VTBDIRSZRHTCOF-ZIAGYGMSSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@@H](O)CCC[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001417758480 921599588 /nfs/dbraw/zinc/59/95/88/921599588.db2.gz VTBDIRSZRHTCOF-ZIAGYGMSSA-N 2 2 294.399 0.577 20 0 CCADLP COCC[NH2+]CC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001320608043 910762079 /nfs/dbraw/zinc/76/20/79/910762079.db2.gz MXJFEACXLIVMBH-NSHDSACASA-N 2 2 268.361 0.093 20 0 CCADLP CCN(CC[NH2+]Cc1ncccn1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001320922224 910940681 /nfs/dbraw/zinc/94/06/81/910940681.db2.gz RYKPXURRDUBLEQ-ZDUSSCGKSA-N 2 2 291.399 0.366 20 0 CCADLP CCN(CC[NH2+]Cc1ncccn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001320922224 910940701 /nfs/dbraw/zinc/94/07/01/910940701.db2.gz RYKPXURRDUBLEQ-ZDUSSCGKSA-N 2 2 291.399 0.366 20 0 CCADLP C[C@@H](O)CCC[NH+]1CC(NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001391428912 911125981 /nfs/dbraw/zinc/12/59/81/911125981.db2.gz YPCJAQAXBOKREX-GFCCVEGCSA-N 2 2 283.416 0.432 20 0 CCADLP C[C@H](CC(=O)NC1C[NH+](C[C@H]2CCOC2)C1)n1cc[nH+]c1 ZINC001391447664 911139430 /nfs/dbraw/zinc/13/94/30/911139430.db2.gz LZWCUZKQXBLURL-CHWSQXEVSA-N 2 2 292.383 0.671 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC1C[NH+](CCC[C@@H](C)O)C1 ZINC001391516801 911190348 /nfs/dbraw/zinc/19/03/48/911190348.db2.gz PJOACWXODVEDIQ-LLVKDONJSA-N 2 2 294.399 0.470 20 0 CCADLP C[C@H](C[NH2+]Cc1cnsn1)NC(=O)C1CC[NH+](C)CC1 ZINC001392505416 911870589 /nfs/dbraw/zinc/87/05/89/911870589.db2.gz NCBIRMXXCMTHHX-SNVBAGLBSA-N 2 2 297.428 0.474 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001392848094 912196510 /nfs/dbraw/zinc/19/65/10/912196510.db2.gz OQINMGVIHOAPSU-OLZOCXBDSA-N 2 2 294.399 0.578 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001392848094 912196525 /nfs/dbraw/zinc/19/65/25/912196525.db2.gz OQINMGVIHOAPSU-OLZOCXBDSA-N 2 2 294.399 0.578 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[N@@H+]1C[C@@H]1CCOC1 ZINC001392866466 912211270 /nfs/dbraw/zinc/21/12/70/912211270.db2.gz ISCUXSWQPCQTDI-QWHCGFSZSA-N 2 2 292.383 0.190 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[N@H+]1C[C@@H]1CCOC1 ZINC001392866466 912211284 /nfs/dbraw/zinc/21/12/84/912211284.db2.gz ISCUXSWQPCQTDI-QWHCGFSZSA-N 2 2 292.383 0.190 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C)o1 ZINC001399046095 915016875 /nfs/dbraw/zinc/01/68/75/915016875.db2.gz QQPJALJZBOQFBI-ZWNOBZJWSA-N 2 2 297.403 0.559 20 0 CCADLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cnon2)CC1 ZINC001328413304 915178275 /nfs/dbraw/zinc/17/82/75/915178275.db2.gz OWYDIZCLAAAPAN-UHFFFAOYSA-N 2 2 267.377 0.575 20 0 CCADLP CC(C)C[NH2+]CC(=O)N(C)CCCn1cc[nH+]c1 ZINC001328525415 915253024 /nfs/dbraw/zinc/25/30/24/915253024.db2.gz RGNWSJSAYFWCQD-UHFFFAOYSA-N 2 2 252.362 0.977 20 0 CCADLP Cc1cnc(C[N@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)C2)cn1 ZINC001399641373 915283639 /nfs/dbraw/zinc/28/36/39/915283639.db2.gz BPCXDKCAWYWMRK-CYBMUJFWSA-N 2 2 291.399 0.285 20 0 CCADLP Cc1cnc(C[N@@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)C2)cn1 ZINC001399641373 915283648 /nfs/dbraw/zinc/28/36/48/915283648.db2.gz BPCXDKCAWYWMRK-CYBMUJFWSA-N 2 2 291.399 0.285 20 0 CCADLP Cc1cnc(C[NH+](C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001399641373 915283657 /nfs/dbraw/zinc/28/36/57/915283657.db2.gz BPCXDKCAWYWMRK-CYBMUJFWSA-N 2 2 291.399 0.285 20 0 CCADLP Cc1cnc(C[NH+](C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001399641373 915283664 /nfs/dbraw/zinc/28/36/64/915283664.db2.gz BPCXDKCAWYWMRK-CYBMUJFWSA-N 2 2 291.399 0.285 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@@H+](C)CCOC1CCC1 ZINC001399648281 915292127 /nfs/dbraw/zinc/29/21/27/915292127.db2.gz NLSVQJKZCOAXFE-UHFFFAOYSA-N 2 2 294.399 0.878 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@H+](C)CCOC1CCC1 ZINC001399648281 915292139 /nfs/dbraw/zinc/29/21/39/915292139.db2.gz NLSVQJKZCOAXFE-UHFFFAOYSA-N 2 2 294.399 0.878 20 0 CCADLP CC[C@@]1(C(=O)NCC[N@@H+]2CCO[C@H](C)C2)CC[NH2+]C1 ZINC001328593733 915298433 /nfs/dbraw/zinc/29/84/33/915298433.db2.gz NMDBZQAHNKSVNY-TZMCWYRMSA-N 2 2 269.389 0.213 20 0 CCADLP CC[C@@]1(C(=O)NCC[N@H+]2CCO[C@H](C)C2)CC[NH2+]C1 ZINC001328593733 915298439 /nfs/dbraw/zinc/29/84/39/915298439.db2.gz NMDBZQAHNKSVNY-TZMCWYRMSA-N 2 2 269.389 0.213 20 0 CCADLP COc1cc(C[N@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)C2)on1 ZINC001399660021 915301130 /nfs/dbraw/zinc/30/11/30/915301130.db2.gz YEVAMIYZKWGEPK-LLVKDONJSA-N 2 2 296.371 0.183 20 0 CCADLP COc1cc(C[N@@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)C2)on1 ZINC001399660021 915301150 /nfs/dbraw/zinc/30/11/50/915301150.db2.gz YEVAMIYZKWGEPK-LLVKDONJSA-N 2 2 296.371 0.183 20 0 CCADLP COc1cc(C[NH+](C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)on1 ZINC001399660021 915301171 /nfs/dbraw/zinc/30/11/71/915301171.db2.gz YEVAMIYZKWGEPK-LLVKDONJSA-N 2 2 296.371 0.183 20 0 CCADLP COc1cc(C[NH+](C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)on1 ZINC001399660021 915301190 /nfs/dbraw/zinc/30/11/90/915301190.db2.gz YEVAMIYZKWGEPK-LLVKDONJSA-N 2 2 296.371 0.183 20 0 CCADLP C[C@@H]([NH2+]CCCF)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001329153073 915712355 /nfs/dbraw/zinc/71/23/55/915712355.db2.gz UFXAQLAMWMYBJA-ZJUUUORDSA-N 2 2 256.325 0.795 20 0 CCADLP COC1CC[NH+](Cc2cn(C[C@@H](C)[NH3+])nn2)CC1 ZINC001329244989 915768557 /nfs/dbraw/zinc/76/85/57/915768557.db2.gz ISUCIKZHSSZJLT-SNVBAGLBSA-N 2 2 253.350 0.236 20 0 CCADLP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nc(C)no1 ZINC001400903050 915980095 /nfs/dbraw/zinc/98/00/95/915980095.db2.gz UGPNMDYDEMQLCU-RYUDHWBXSA-N 2 2 295.387 0.314 20 0 CCADLP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1nc(C)no1 ZINC001400903050 915980111 /nfs/dbraw/zinc/98/01/11/915980111.db2.gz UGPNMDYDEMQLCU-RYUDHWBXSA-N 2 2 295.387 0.314 20 0 CCADLP CN(CC[N@H+](C)CCCO)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001401366293 916208686 /nfs/dbraw/zinc/20/86/86/916208686.db2.gz IKAOPPSMCJCLLC-VXGBXAGGSA-N 2 2 280.372 0.286 20 0 CCADLP CN(CC[N@@H+](C)CCCO)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001401366293 916208707 /nfs/dbraw/zinc/20/87/07/916208707.db2.gz IKAOPPSMCJCLLC-VXGBXAGGSA-N 2 2 280.372 0.286 20 0 CCADLP CN(CC[N@H+](C)CCCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001401366293 916208729 /nfs/dbraw/zinc/20/87/29/916208729.db2.gz IKAOPPSMCJCLLC-VXGBXAGGSA-N 2 2 280.372 0.286 20 0 CCADLP CN(CC[N@@H+](C)CCCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001401366293 916208749 /nfs/dbraw/zinc/20/87/49/916208749.db2.gz IKAOPPSMCJCLLC-VXGBXAGGSA-N 2 2 280.372 0.286 20 0 CCADLP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001330744587 916832343 /nfs/dbraw/zinc/83/23/43/916832343.db2.gz FWSBEWRINQRKMU-RYUDHWBXSA-N 2 2 262.357 0.513 20 0 CCADLP C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001330744587 916832352 /nfs/dbraw/zinc/83/23/52/916832352.db2.gz FWSBEWRINQRKMU-RYUDHWBXSA-N 2 2 262.357 0.513 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001402461992 917031008 /nfs/dbraw/zinc/03/10/08/917031008.db2.gz PULDMOMFLOZKAJ-PWSUYJOCSA-N 2 2 280.372 0.486 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H]1COCC[N@H+]1CC1CC1)[NH+](C)C ZINC001402523995 917076402 /nfs/dbraw/zinc/07/64/02/917076402.db2.gz GNNNPARRIGMAGM-KGLIPLIRSA-N 2 2 283.416 0.554 20 0 CCADLP CO[C@@H](C)C[N@H+](C)CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001402666857 917165386 /nfs/dbraw/zinc/16/53/86/917165386.db2.gz MKBYPCBIZDKFHK-LBPRGKRZSA-N 2 2 282.388 0.767 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001402666857 917165395 /nfs/dbraw/zinc/16/53/95/917165395.db2.gz MKBYPCBIZDKFHK-LBPRGKRZSA-N 2 2 282.388 0.767 20 0 CCADLP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1cnon1 ZINC001403022658 917430840 /nfs/dbraw/zinc/43/08/40/917430840.db2.gz GEOLANWKPZGMAZ-SNVBAGLBSA-N 2 2 281.360 0.148 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+]Cc1ccon1 ZINC001403140127 917522650 /nfs/dbraw/zinc/52/26/50/917522650.db2.gz MOSSOIZOPGISGP-JTQLQIEISA-N 2 2 277.328 0.474 20 0 CCADLP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]Cc1cnsn1 ZINC001403599525 917835813 /nfs/dbraw/zinc/83/58/13/917835813.db2.gz XHRALGCGFSSXTK-JTQLQIEISA-N 2 2 285.417 0.426 20 0 CCADLP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1cncs1 ZINC001403632174 917863758 /nfs/dbraw/zinc/86/37/58/917863758.db2.gz OTYSWWRSVPQZKH-LLVKDONJSA-N 2 2 293.396 0.976 20 0 CCADLP CC(C)C[NH2+][C@@H](CO)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001403696820 917937426 /nfs/dbraw/zinc/93/74/26/917937426.db2.gz BDZTZIDKJJNJMX-WCQYABFASA-N 2 2 282.388 0.311 20 0 CCADLP CC(C)C[NH2+][C@@H](CO)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001403696820 917937434 /nfs/dbraw/zinc/93/74/34/917937434.db2.gz BDZTZIDKJJNJMX-WCQYABFASA-N 2 2 282.388 0.311 20 0 CCADLP [NH3+]C1CC[NH+]([C@@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC001332417818 918142828 /nfs/dbraw/zinc/14/28/28/918142828.db2.gz XHVZZKUANQIQJP-CYBMUJFWSA-N 2 2 267.373 0.189 20 0 CCADLP CC[C@H](C(=O)N(C)CC[NH2+][C@@H](C)c1csnn1)[NH+](C)C ZINC001404325323 918306892 /nfs/dbraw/zinc/30/68/92/918306892.db2.gz RLHVVIIDLPNXDY-CMPLNLGQSA-N 2 2 299.444 0.987 20 0 CCADLP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001405093490 918593093 /nfs/dbraw/zinc/59/30/93/918593093.db2.gz LMVZVKAFYCFVLS-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001405093490 918593104 /nfs/dbraw/zinc/59/31/04/918593104.db2.gz LMVZVKAFYCFVLS-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CCn1cccn1 ZINC001405340597 918732089 /nfs/dbraw/zinc/73/20/89/918732089.db2.gz YFAUKJGAWXSRHX-GFCCVEGCSA-N 2 2 290.371 0.333 20 0 CCADLP C[C@@H](C[NH2+]Cc1ccccn1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001405913195 918970083 /nfs/dbraw/zinc/97/00/83/918970083.db2.gz RVMSHSROVSUMHO-ZDUSSCGKSA-N 2 2 287.367 0.915 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC001333597427 919032105 /nfs/dbraw/zinc/03/21/05/919032105.db2.gz AQPSHWMAYOOGLF-AAEUAGOBSA-N 2 2 263.345 0.504 20 0 CCADLP CC[C@H](C(=O)N(C)C1C[NH+]([C@@H](C)COC)C1)[NH+](C)C ZINC001407054174 919592792 /nfs/dbraw/zinc/59/27/92/919592792.db2.gz HTLAUMKYSMUGEH-WCQYABFASA-N 2 2 271.405 0.504 20 0 CCADLP CC(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001407099689 919614777 /nfs/dbraw/zinc/61/47/77/919614777.db2.gz WVJKFSOHTCAQJL-KBPBESRZSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001407099689 919614781 /nfs/dbraw/zinc/61/47/81/919614781.db2.gz WVJKFSOHTCAQJL-KBPBESRZSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H](O)C[NH+]1CCC(C)(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001407124098 919624559 /nfs/dbraw/zinc/62/45/59/919624559.db2.gz QCQVNSMYICPVMB-CYBMUJFWSA-N 2 2 294.399 0.625 20 0 CCADLP CC(=O)NCC[NH+]1CCC([NH2+]CCc2ccns2)CC1 ZINC001407570267 919810893 /nfs/dbraw/zinc/81/08/93/919810893.db2.gz LMPFMKJCPGBXKY-UHFFFAOYSA-N 2 2 296.440 0.876 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@](CO)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001407633629 919838804 /nfs/dbraw/zinc/83/88/04/919838804.db2.gz CBKJIAZFZIJTHR-OAHLLOKOSA-N 2 2 294.399 0.694 20 0 CCADLP CC(C)[N@H+]1CCC[C@@](CO)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001407633629 919838813 /nfs/dbraw/zinc/83/88/13/919838813.db2.gz CBKJIAZFZIJTHR-OAHLLOKOSA-N 2 2 294.399 0.694 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@](CO)(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001407633629 919838822 /nfs/dbraw/zinc/83/88/22/919838822.db2.gz CBKJIAZFZIJTHR-OAHLLOKOSA-N 2 2 294.399 0.694 20 0 CCADLP CC(C)[N@H+]1CCC[C@@](CO)(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001407633629 919838829 /nfs/dbraw/zinc/83/88/29/919838829.db2.gz CBKJIAZFZIJTHR-OAHLLOKOSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001407767431 919881479 /nfs/dbraw/zinc/88/14/79/919881479.db2.gz XRRFWPXWPJYWAB-UONOGXRCSA-N 2 2 294.399 0.625 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCC[N@H+](CCO)CC1 ZINC001407883252 919941102 /nfs/dbraw/zinc/94/11/02/919941102.db2.gz HXSXTIIXQUVYLF-CYBMUJFWSA-N 2 2 294.399 0.316 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCC[N@@H+](CCO)CC1 ZINC001407883252 919941116 /nfs/dbraw/zinc/94/11/16/919941116.db2.gz HXSXTIIXQUVYLF-CYBMUJFWSA-N 2 2 294.399 0.316 20 0 CCADLP C[C@H](CC[NH2+]CC(C)(C)S(C)(=O)=O)[NH+](C)C ZINC001335120726 919969597 /nfs/dbraw/zinc/96/95/97/919969597.db2.gz FPVFQMWJBNDZPE-SNVBAGLBSA-N 2 2 250.408 0.739 20 0 CCADLP C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001335307000 920108703 /nfs/dbraw/zinc/10/87/03/920108703.db2.gz AUUWGTNEKRGFIY-WDEREUQCSA-N 2 2 250.346 0.560 20 0 CCADLP CC[C@H]([NH2+][C@@H](C)CCNC(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC001408248403 920109454 /nfs/dbraw/zinc/10/94/54/920109454.db2.gz DBSYLZPNKJCJQE-ONGXEEELSA-N 2 2 295.387 0.009 20 0 CCADLP CC1([NH+]2CCOCC2)CCC([NH2+][C@H]2CCOC2=O)CC1 ZINC001414172323 920244213 /nfs/dbraw/zinc/24/42/13/920244213.db2.gz SDVOTHKGZRWSQC-OWYJLGKBSA-N 2 2 282.384 0.925 20 0 CCADLP CN(CCCCCO)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001335622924 920330123 /nfs/dbraw/zinc/33/01/23/920330123.db2.gz MAGHIJRKBPPLLC-UHFFFAOYSA-N 2 2 286.420 0.214 20 0 CCADLP CCOCC[NH+]1CCN(c2nccnc2C[NH3+])CC1 ZINC001336513572 920812049 /nfs/dbraw/zinc/81/20/49/920812049.db2.gz JEGVUBCQROFFTE-UHFFFAOYSA-N 2 2 265.361 0.094 20 0 CCADLP COCCOC[C@H](O)C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001336801697 921019824 /nfs/dbraw/zinc/01/98/24/921019824.db2.gz OTOCDXCBIKQKHH-ILXRZTDVSA-N 2 2 286.416 0.617 20 0 CCADLP COCCOC[C@H](O)C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001336801697 921019886 /nfs/dbraw/zinc/01/98/86/921019886.db2.gz OTOCDXCBIKQKHH-ILXRZTDVSA-N 2 2 286.416 0.617 20 0 CCADLP [NH3+]C[C@@H]1C[C@@H]1C(=O)NCCCCNc1cccc[nH+]1 ZINC001340076414 921948901 /nfs/dbraw/zinc/94/89/01/921948901.db2.gz ZDBYZYHCUXIGCT-RYUDHWBXSA-N 2 2 262.357 0.985 20 0 CCADLP [NH3+][C@@H](CC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)C(F)F ZINC001340149189 921983284 /nfs/dbraw/zinc/98/32/84/921983284.db2.gz QRLFLDWILKAQIW-CABZTGNLSA-N 2 2 261.316 0.571 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001340150752 921984852 /nfs/dbraw/zinc/98/48/52/921984852.db2.gz XHZXVFPUSPRTKE-GMTAPVOTSA-N 2 2 250.346 0.638 20 0 CCADLP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1CCc2c[nH+]cn2C1 ZINC001340299378 922044158 /nfs/dbraw/zinc/04/41/58/922044158.db2.gz OOJDEEVBOSCHMA-DCAQKATOSA-N 2 2 266.320 0.262 20 0 CCADLP COC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001418507628 922197626 /nfs/dbraw/zinc/19/76/26/922197626.db2.gz WIICWYGFZFICJU-RYUDHWBXSA-N 2 2 282.388 0.671 20 0 CCADLP COC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001418507628 922197633 /nfs/dbraw/zinc/19/76/33/922197633.db2.gz WIICWYGFZFICJU-RYUDHWBXSA-N 2 2 282.388 0.671 20 0 CCADLP COC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001418507628 922197637 /nfs/dbraw/zinc/19/76/37/922197637.db2.gz WIICWYGFZFICJU-RYUDHWBXSA-N 2 2 282.388 0.671 20 0 CCADLP COC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001418507628 922197644 /nfs/dbraw/zinc/19/76/44/922197644.db2.gz WIICWYGFZFICJU-RYUDHWBXSA-N 2 2 282.388 0.671 20 0 CCADLP Cc1oncc1C[N@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001418513499 922205000 /nfs/dbraw/zinc/20/50/00/922205000.db2.gz YCTAOEONRPOYEM-ZDUSSCGKSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1oncc1C[N@@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001418513499 922205008 /nfs/dbraw/zinc/20/50/08/922205008.db2.gz YCTAOEONRPOYEM-ZDUSSCGKSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1oncc1C[NH+](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001418513499 922205016 /nfs/dbraw/zinc/20/50/16/922205016.db2.gz YCTAOEONRPOYEM-ZDUSSCGKSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1oncc1C[NH+](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001418513499 922205022 /nfs/dbraw/zinc/20/50/22/922205022.db2.gz YCTAOEONRPOYEM-ZDUSSCGKSA-N 2 2 294.399 0.873 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001341000866 922311817 /nfs/dbraw/zinc/31/18/17/922311817.db2.gz WDFHYOPKDISUNE-ZYHUDNBSSA-N 2 2 262.357 0.486 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001418682502 922360849 /nfs/dbraw/zinc/36/08/49/922360849.db2.gz JSWZFXBUFFGSEB-YRGRVCCFSA-N 2 2 294.399 0.862 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001418682502 922360859 /nfs/dbraw/zinc/36/08/59/922360859.db2.gz JSWZFXBUFFGSEB-YRGRVCCFSA-N 2 2 294.399 0.862 20 0 CCADLP CC[N@H+](CCO)[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001418787476 922422313 /nfs/dbraw/zinc/42/23/13/922422313.db2.gz DGZHPXXUCFFGNU-ZDUSSCGKSA-N 2 2 294.399 0.566 20 0 CCADLP CC[N@@H+](CCO)[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001418787476 922422325 /nfs/dbraw/zinc/42/23/25/922422325.db2.gz DGZHPXXUCFFGNU-ZDUSSCGKSA-N 2 2 294.399 0.566 20 0 CCADLP C[C@H](O)C[N@H+](C)CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001418944008 922499888 /nfs/dbraw/zinc/49/98/88/922499888.db2.gz BQVWICLSUVAVGX-LBPRGKRZSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@H](O)C[N@@H+](C)CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001418944008 922499892 /nfs/dbraw/zinc/49/98/92/922499892.db2.gz BQVWICLSUVAVGX-LBPRGKRZSA-N 2 2 294.399 0.503 20 0 CCADLP CC(C)C[C@H](C(=O)NCC1C[NH+](CCO)C1)n1cc[nH+]c1 ZINC001419019862 922575239 /nfs/dbraw/zinc/57/52/39/922575239.db2.gz NRQNVTIHSCCCHU-CQSZACIVSA-N 2 2 294.399 0.511 20 0 CCADLP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001341666280 922617454 /nfs/dbraw/zinc/61/74/54/922617454.db2.gz SMHDEJJAJXUXAF-SCVCMEIPSA-N 2 2 268.336 0.747 20 0 CCADLP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001341666280 922617470 /nfs/dbraw/zinc/61/74/70/922617470.db2.gz SMHDEJJAJXUXAF-SCVCMEIPSA-N 2 2 268.336 0.747 20 0 CCADLP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1nncs1 ZINC001419176121 922689489 /nfs/dbraw/zinc/68/94/89/922689489.db2.gz HUAKXHVTWKBZMF-MNOVXSKESA-N 2 2 297.428 0.617 20 0 CCADLP CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1nncs1 ZINC001419176121 922689497 /nfs/dbraw/zinc/68/94/97/922689497.db2.gz HUAKXHVTWKBZMF-MNOVXSKESA-N 2 2 297.428 0.617 20 0 CCADLP Cc1cccn2cc(CC(=O)NCC3([NH3+])CC3)[nH+]c12 ZINC001342062963 922785933 /nfs/dbraw/zinc/78/59/33/922785933.db2.gz JSMITRJWGJDUDA-UHFFFAOYSA-N 2 2 258.325 0.793 20 0 CCADLP Cn1c[nH+]cc1C1CCN(C(=O)C2(C)C[NH2+]C2)CC1 ZINC001342150638 922834132 /nfs/dbraw/zinc/83/41/32/922834132.db2.gz RVDNMHMQGYNPHB-UHFFFAOYSA-N 2 2 262.357 0.736 20 0 CCADLP Cn1c[nH+]cc1C1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC001342150692 922836342 /nfs/dbraw/zinc/83/63/42/922836342.db2.gz UAVWZOQDAFLOFC-GFCCVEGCSA-N 2 2 262.357 0.878 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1nncs1 ZINC001419551467 922909724 /nfs/dbraw/zinc/90/97/24/922909724.db2.gz WYXIREFUVRAZQV-SNVBAGLBSA-N 2 2 294.384 0.277 20 0 CCADLP C[C@H](C[NH2+]C[C@H](C)O)N(C)C(=O)CCc1[nH+]ccn1C ZINC001419682916 922989643 /nfs/dbraw/zinc/98/96/43/922989643.db2.gz DSYVOAFBRVFFRZ-NEPJUHHUSA-N 2 2 282.388 0.170 20 0 CCADLP Cc1ncoc1C[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001419957660 923192926 /nfs/dbraw/zinc/19/29/26/923192926.db2.gz RMFMXWAEDZDLIJ-SNVBAGLBSA-N 2 2 277.328 0.474 20 0 CCADLP C[C@@H](O)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001343415412 923307132 /nfs/dbraw/zinc/30/71/32/923307132.db2.gz VHSYBEKOLVIVQU-LLVKDONJSA-N 2 2 269.389 0.042 20 0 CCADLP CC1CC(C[NH2+]C[C@H](O)CNC(=O)CCn2cc[nH+]c2)C1 ZINC001420156151 923350994 /nfs/dbraw/zinc/35/09/94/923350994.db2.gz HAFZUVICCNIISN-RUXDESIVSA-N 2 2 294.399 0.386 20 0 CCADLP COC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001420255736 923461603 /nfs/dbraw/zinc/46/16/03/923461603.db2.gz OPUAXBRFSUBOPF-QWHCGFSZSA-N 2 2 294.399 0.528 20 0 CCADLP COC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001420255736 923461612 /nfs/dbraw/zinc/46/16/12/923461612.db2.gz OPUAXBRFSUBOPF-QWHCGFSZSA-N 2 2 294.399 0.528 20 0 CCADLP C[C@H](C[NH2+]Cc1ncccn1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001420308490 923528075 /nfs/dbraw/zinc/52/80/75/923528075.db2.gz FXUCXUCKMWSGGH-CHWSQXEVSA-N 2 2 291.399 0.555 20 0 CCADLP C[C@H](C[NH2+]Cc1ncccn1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001420308490 923528091 /nfs/dbraw/zinc/52/80/91/923528091.db2.gz FXUCXUCKMWSGGH-CHWSQXEVSA-N 2 2 291.399 0.555 20 0 CCADLP CNC(=O)C[N@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001420305270 923528116 /nfs/dbraw/zinc/52/81/16/923528116.db2.gz FVXMXGHLENKGJL-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001420305270 923528125 /nfs/dbraw/zinc/52/81/25/923528125.db2.gz FVXMXGHLENKGJL-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP C[C@H](C[NH2+]Cc1cnon1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001420316340 923534115 /nfs/dbraw/zinc/53/41/15/923534115.db2.gz WDAKTQCODDRARC-PWSUYJOCSA-N 2 2 281.360 0.148 20 0 CCADLP C[C@H](C[NH2+]Cc1cnon1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001420316340 923534138 /nfs/dbraw/zinc/53/41/38/923534138.db2.gz WDAKTQCODDRARC-PWSUYJOCSA-N 2 2 281.360 0.148 20 0 CCADLP C[C@H](C[NH2+]C[C@@H]1CCOC1)NC(=O)CCCn1cc[nH+]c1 ZINC001420386366 923603704 /nfs/dbraw/zinc/60/37/04/923603704.db2.gz IFJNIEZJNAVDIF-KGLIPLIRSA-N 2 2 294.399 0.794 20 0 CCADLP Cc1cc(C[NH2+]C[C@H](C)NC(=O)Cn2cc[nH+]c2)ncn1 ZINC001420524127 923741587 /nfs/dbraw/zinc/74/15/87/923741587.db2.gz SGGUWHCWKITAAT-LBPRGKRZSA-N 2 2 288.355 0.276 20 0 CCADLP C[C@H](O)CCC[N@@H+]1CC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001420890829 923999789 /nfs/dbraw/zinc/99/97/89/923999789.db2.gz YMGLSHJUMXRZOJ-QWHCGFSZSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@H](O)CCC[N@H+]1CC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001420890829 923999802 /nfs/dbraw/zinc/99/98/02/923999802.db2.gz YMGLSHJUMXRZOJ-QWHCGFSZSA-N 2 2 294.399 0.314 20 0 CCADLP CC(C)[NH+]1CCN(CCN(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001420903975 924011891 /nfs/dbraw/zinc/01/18/91/924011891.db2.gz BDNOKZYHQYUOGJ-UHFFFAOYSA-N 2 2 293.415 0.437 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC1([NH2+]Cc2nncs2)CC1 ZINC001420992000 924080056 /nfs/dbraw/zinc/08/00/56/924080056.db2.gz BETVRHBGBOQJEE-UHFFFAOYSA-N 2 2 297.428 0.618 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC1([NH2+]Cc2nncs2)CC1 ZINC001420992000 924080069 /nfs/dbraw/zinc/08/00/69/924080069.db2.gz BETVRHBGBOQJEE-UHFFFAOYSA-N 2 2 297.428 0.618 20 0 CCADLP CC[C@@H](C(=O)NCC1([NH2+]Cc2cnon2)CC1)[NH+](C)C ZINC001420996287 924083827 /nfs/dbraw/zinc/08/38/27/924083827.db2.gz UQQKVSOQILXYQI-NSHDSACASA-N 2 2 281.360 0.148 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)NOC2CCCC2)CC1 ZINC001346406465 924192949 /nfs/dbraw/zinc/19/29/49/924192949.db2.gz VTJHKGAGZXTMPD-UHFFFAOYSA-N 2 2 270.377 0.583 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001346491834 924238062 /nfs/dbraw/zinc/23/80/62/924238062.db2.gz MQFUQLSYNCOVOW-BJHJDKERSA-N 2 2 264.373 0.809 20 0 CCADLP CNc1cc(CNC(=O)N(C)CC[NH+](C)C)cc[nH+]1 ZINC001347185996 924392822 /nfs/dbraw/zinc/39/28/22/924392822.db2.gz LLPWNBKHHXKBBW-UHFFFAOYSA-N 2 2 265.361 0.826 20 0 CCADLP COCC(C)(C)[NH+]1CCN(c2cc[nH+]c(N)n2)CC1 ZINC001348224112 924622335 /nfs/dbraw/zinc/62/23/35/924622335.db2.gz CRPIDKKRBJIEMN-UHFFFAOYSA-N 2 2 265.361 0.606 20 0 CCADLP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)CCc1[nH+]ccn1C ZINC001349392155 924947227 /nfs/dbraw/zinc/94/72/27/924947227.db2.gz PPMJMMJNXOAWHJ-RYUDHWBXSA-N 2 2 264.373 0.904 20 0 CCADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CCc1[nH+]ccn1C ZINC001349392155 924947234 /nfs/dbraw/zinc/94/72/34/924947234.db2.gz PPMJMMJNXOAWHJ-RYUDHWBXSA-N 2 2 264.373 0.904 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001353500908 925851577 /nfs/dbraw/zinc/85/15/77/925851577.db2.gz SBLGOIRQPLGCHZ-CMPLNLGQSA-N 2 2 263.345 0.314 20 0 CCADLP C[NH2+]CCCCC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC001353534138 925864663 /nfs/dbraw/zinc/86/46/63/925864663.db2.gz CQKXFVMHEGRBTH-LBPRGKRZSA-N 2 2 257.378 0.213 20 0 CCADLP C[NH2+]CCCCC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC001353534138 925864666 /nfs/dbraw/zinc/86/46/66/925864666.db2.gz CQKXFVMHEGRBTH-LBPRGKRZSA-N 2 2 257.378 0.213 20 0 CCADLP CNC(=O)C1([NH2+]Cc2[nH]c(C)[nH+]c2C)CCOCC1 ZINC001354902964 926180915 /nfs/dbraw/zinc/18/09/15/926180915.db2.gz KHCPBTODYSXEOC-UHFFFAOYSA-N 2 2 266.345 0.411 20 0 CCADLP O=C(NCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC001413968592 926303542 /nfs/dbraw/zinc/30/35/42/926303542.db2.gz RRKIAQBISNEKHJ-UHFFFAOYSA-N 2 2 274.368 0.730 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC001357452909 926534088 /nfs/dbraw/zinc/53/40/88/926534088.db2.gz ICPXGSUXLDDMMF-GHMZBOCLSA-N 2 2 250.346 0.847 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC001357452909 926534097 /nfs/dbraw/zinc/53/40/97/926534097.db2.gz ICPXGSUXLDDMMF-GHMZBOCLSA-N 2 2 250.346 0.847 20 0 CCADLP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1[NH2+]CCc2occc21 ZINC001357954917 926614192 /nfs/dbraw/zinc/61/41/92/926614192.db2.gz XTIFVDODNAXFTO-GWCFXTLKSA-N 2 2 263.341 0.677 20 0 CCADLP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1[NH2+]CCc2occc21 ZINC001357954917 926614195 /nfs/dbraw/zinc/61/41/95/926614195.db2.gz XTIFVDODNAXFTO-GWCFXTLKSA-N 2 2 263.341 0.677 20 0 CCADLP [NH3+]C1(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)CC1 ZINC001358069321 926630313 /nfs/dbraw/zinc/63/03/13/926630313.db2.gz QQPPRIZXDXPYHF-UHFFFAOYSA-N 2 2 260.341 0.976 20 0 CCADLP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CCCO)C1 ZINC001421349523 926690367 /nfs/dbraw/zinc/69/03/67/926690367.db2.gz HJKRSGUYRBPIMO-CYBMUJFWSA-N 2 2 280.372 0.257 20 0 CCADLP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001421349523 926690378 /nfs/dbraw/zinc/69/03/78/926690378.db2.gz HJKRSGUYRBPIMO-CYBMUJFWSA-N 2 2 280.372 0.257 20 0 CCADLP CC[NH+]1CCC([N@@H+]2CCCN(CC3OCCO3)CC2)CC1 ZINC001414000050 926795785 /nfs/dbraw/zinc/79/57/85/926795785.db2.gz NGSVTFRCMPXMPA-UHFFFAOYSA-N 2 2 297.443 0.851 20 0 CCADLP CC[NH+]1CCC([N@H+]2CCCN(CC3OCCO3)CC2)CC1 ZINC001414000050 926795797 /nfs/dbraw/zinc/79/57/97/926795797.db2.gz NGSVTFRCMPXMPA-UHFFFAOYSA-N 2 2 297.443 0.851 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]CC1CCOCC1 ZINC001421745760 926888421 /nfs/dbraw/zinc/88/84/21/926888421.db2.gz KCGLCSTWYHCWLX-GFCCVEGCSA-N 2 2 294.399 0.721 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC001422099413 927071955 /nfs/dbraw/zinc/07/19/55/927071955.db2.gz HJIHNERSOVSFSU-CVEARBPZSA-N 2 2 299.459 0.750 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC001422099413 927071965 /nfs/dbraw/zinc/07/19/65/927071965.db2.gz HJIHNERSOVSFSU-CVEARBPZSA-N 2 2 299.459 0.750 20 0 CCADLP CC(C)[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]C[C@@H]1CCOC1 ZINC001422130285 927089392 /nfs/dbraw/zinc/08/93/92/927089392.db2.gz CFWAVXDBMZVYHY-STQMWFEESA-N 2 2 294.399 0.719 20 0 CCADLP CC(C)[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccon1 ZINC001422136243 927093432 /nfs/dbraw/zinc/09/34/32/927093432.db2.gz BZTMKPBHVWIYKH-ZDUSSCGKSA-N 2 2 291.355 0.802 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)[C@H](C)[NH2+]CCO)ccn12 ZINC001422327277 927222298 /nfs/dbraw/zinc/22/22/98/927222298.db2.gz YMLSCKADJYCEMW-NWDGAFQWSA-N 2 2 290.367 0.731 20 0 CCADLP C[C@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)[N@H+](C)CCO ZINC001422511265 927336840 /nfs/dbraw/zinc/33/68/40/927336840.db2.gz ZCCKMRCTKZKTAO-GFCCVEGCSA-N 2 2 294.399 0.191 20 0 CCADLP C[C@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)[N@@H+](C)CCO ZINC001422511265 927336851 /nfs/dbraw/zinc/33/68/51/927336851.db2.gz ZCCKMRCTKZKTAO-GFCCVEGCSA-N 2 2 294.399 0.191 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@H+](C)C[C@H]1CCCCO1 ZINC001422558557 927371760 /nfs/dbraw/zinc/37/17/60/927371760.db2.gz JVRRZCHAPPQGSO-TZMCWYRMSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@@H+](C)C[C@H]1CCCCO1 ZINC001422558557 927371770 /nfs/dbraw/zinc/37/17/70/927371770.db2.gz JVRRZCHAPPQGSO-TZMCWYRMSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@@H](C[NH2+]Cc1cscn1)NC(=O)Cn1cc[nH+]c1 ZINC001422759315 927490572 /nfs/dbraw/zinc/49/05/72/927490572.db2.gz SLNWCDMVRPNFSX-JTQLQIEISA-N 2 2 279.369 0.634 20 0 CCADLP Cc1cnc([C@H](C)[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C)o1 ZINC001423255020 927768426 /nfs/dbraw/zinc/76/84/26/927768426.db2.gz BTBJLKXMGWPWRK-NWDGAFQWSA-N 2 2 298.387 0.062 20 0 CCADLP CS[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1[NH+](C)C ZINC001362260886 927792738 /nfs/dbraw/zinc/79/27/38/927792738.db2.gz RPRCRTFOVZTTGY-NWDGAFQWSA-N 2 2 282.413 0.765 20 0 CCADLP CO[C@H](C)C[NH2+]C1(CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001423296369 927798753 /nfs/dbraw/zinc/79/87/53/927798753.db2.gz AZGBRANLDLOMQN-SNVBAGLBSA-N 2 2 280.372 0.534 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC001362370151 927935765 /nfs/dbraw/zinc/93/57/65/927935765.db2.gz YKPZMSASWKZIAG-UHFFFAOYSA-N 2 2 280.372 0.176 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC001362370151 927935772 /nfs/dbraw/zinc/93/57/72/927935772.db2.gz YKPZMSASWKZIAG-UHFFFAOYSA-N 2 2 280.372 0.176 20 0 CCADLP CCC[N@@H+]1CC[C@@](O)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001423775107 927977636 /nfs/dbraw/zinc/97/76/36/927977636.db2.gz LGFZSVAZITTWPY-OAHLLOKOSA-N 2 2 294.399 0.316 20 0 CCADLP CCC[N@H+]1CC[C@@](O)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001423775107 927977642 /nfs/dbraw/zinc/97/76/42/927977642.db2.gz LGFZSVAZITTWPY-OAHLLOKOSA-N 2 2 294.399 0.316 20 0 CCADLP C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccccn1 ZINC001425659529 928618147 /nfs/dbraw/zinc/61/81/47/928618147.db2.gz FHSFXJAJHMHKOA-GFCCVEGCSA-N 2 2 287.367 0.984 20 0 CCADLP C[N@H+](CC(=O)NCc1c[nH+]c2n1CCC2)[C@@H]1CCC[C@H]1O ZINC001362893688 928621139 /nfs/dbraw/zinc/62/11/39/928621139.db2.gz JXINRRCHLIIDBX-CHWSQXEVSA-N 2 2 292.383 0.291 20 0 CCADLP C[N@@H+](CC(=O)NCc1c[nH+]c2n1CCC2)[C@@H]1CCC[C@H]1O ZINC001362893688 928621147 /nfs/dbraw/zinc/62/11/47/928621147.db2.gz JXINRRCHLIIDBX-CHWSQXEVSA-N 2 2 292.383 0.291 20 0 CCADLP Cc1nnc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CC[NH+](C)C)C2)o1 ZINC001425909321 928704859 /nfs/dbraw/zinc/70/48/59/928704859.db2.gz RTALNUHAIVGBCF-JQWIXIFHSA-N 2 2 295.387 0.409 20 0 CCADLP CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001426066157 928745711 /nfs/dbraw/zinc/74/57/11/928745711.db2.gz ITWGVUGTFGHTAK-JSGCOSHPSA-N 2 2 294.399 0.217 20 0 CCADLP CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001426066157 928745723 /nfs/dbraw/zinc/74/57/23/928745723.db2.gz ITWGVUGTFGHTAK-JSGCOSHPSA-N 2 2 294.399 0.217 20 0 CCADLP C([C@@H]1COCCO1)[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001363330032 929120105 /nfs/dbraw/zinc/12/01/05/929120105.db2.gz VLIKFGRQJZCBPQ-OAHLLOKOSA-N 2 2 284.400 0.635 20 0 CCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)COC)CC2)CC1 ZINC001363391589 929177457 /nfs/dbraw/zinc/17/74/57/929177457.db2.gz DXKIVHFGXJBSBS-UHFFFAOYSA-N 2 2 283.416 0.651 20 0 CCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)COC)CC2)CC1 ZINC001363391589 929177464 /nfs/dbraw/zinc/17/74/64/929177464.db2.gz DXKIVHFGXJBSBS-UHFFFAOYSA-N 2 2 283.416 0.651 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001363406947 929192787 /nfs/dbraw/zinc/19/27/87/929192787.db2.gz KXAYSSUFMQUQHM-DGCLKSJQSA-N 2 2 279.388 0.470 20 0 CCADLP CCc1[nH]c(CNC(=O)c2cnn(CC[NH+](C)C)c2)c[nH+]1 ZINC001363631352 929434017 /nfs/dbraw/zinc/43/40/17/929434017.db2.gz NIQIRDGTOYXKDN-UHFFFAOYSA-N 2 2 290.371 0.660 20 0 CCADLP CCc1[nH]cc(CNC(=O)c2cnn(CC[NH+](C)C)c2)[nH+]1 ZINC001363631352 929434024 /nfs/dbraw/zinc/43/40/24/929434024.db2.gz NIQIRDGTOYXKDN-UHFFFAOYSA-N 2 2 290.371 0.660 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001363659777 929462733 /nfs/dbraw/zinc/46/27/33/929462733.db2.gz PYKRVYHCJXKKNN-STQMWFEESA-N 2 2 280.372 0.304 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001363659777 929462738 /nfs/dbraw/zinc/46/27/38/929462738.db2.gz PYKRVYHCJXKKNN-STQMWFEESA-N 2 2 280.372 0.304 20 0 CCADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001363670209 929472032 /nfs/dbraw/zinc/47/20/32/929472032.db2.gz BGLJEWCARQKNBJ-NEPJUHHUSA-N 2 2 290.367 0.035 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2ncccn2)C1 ZINC001363844628 929626956 /nfs/dbraw/zinc/62/69/56/929626956.db2.gz LETVWAMJRRGNQW-UONOGXRCSA-N 2 2 278.400 0.967 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2ncccn2)C1 ZINC001363844628 929626969 /nfs/dbraw/zinc/62/69/69/929626969.db2.gz LETVWAMJRRGNQW-UONOGXRCSA-N 2 2 278.400 0.967 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](c2ncccn2)C1 ZINC001363844628 929626981 /nfs/dbraw/zinc/62/69/81/929626981.db2.gz LETVWAMJRRGNQW-UONOGXRCSA-N 2 2 278.400 0.967 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](c2ncccn2)C1 ZINC001363844628 929626991 /nfs/dbraw/zinc/62/69/91/929626991.db2.gz LETVWAMJRRGNQW-UONOGXRCSA-N 2 2 278.400 0.967 20 0 CCADLP C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CCF ZINC001371830031 929640468 /nfs/dbraw/zinc/64/04/68/929640468.db2.gz SOXCSDRGEFKRKU-IJLUTSLNSA-N 2 2 282.363 0.978 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC1C[NH+](CC[C@H]2CCCO2)C1 ZINC001443621141 929665051 /nfs/dbraw/zinc/66/50/51/929665051.db2.gz JKMBFHKOFGTVKT-CQSZACIVSA-N 2 2 292.383 0.569 20 0 CCADLP COCC[N@@H+]1CC[C@H](N(C)C(=O)CCc2[nH+]ccn2C)C1 ZINC001443801673 929705935 /nfs/dbraw/zinc/70/59/35/929705935.db2.gz LNHYTJPLRVXJFS-ZDUSSCGKSA-N 2 2 294.399 0.532 20 0 CCADLP COCC[N@H+]1CC[C@H](N(C)C(=O)CCc2[nH+]ccn2C)C1 ZINC001443801673 929705942 /nfs/dbraw/zinc/70/59/42/929705942.db2.gz LNHYTJPLRVXJFS-ZDUSSCGKSA-N 2 2 294.399 0.532 20 0 CCADLP COCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001443849861 929721950 /nfs/dbraw/zinc/72/19/50/929721950.db2.gz UMGZVDIJHIRLCV-TZMCWYRMSA-N 2 2 294.399 0.767 20 0 CCADLP COCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001443849861 929721956 /nfs/dbraw/zinc/72/19/56/929721956.db2.gz UMGZVDIJHIRLCV-TZMCWYRMSA-N 2 2 294.399 0.767 20 0 CCADLP COCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001443849861 929721967 /nfs/dbraw/zinc/72/19/67/929721967.db2.gz UMGZVDIJHIRLCV-TZMCWYRMSA-N 2 2 294.399 0.767 20 0 CCADLP COCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001443849861 929721977 /nfs/dbraw/zinc/72/19/77/929721977.db2.gz UMGZVDIJHIRLCV-TZMCWYRMSA-N 2 2 294.399 0.767 20 0 CCADLP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)c1nc(C)no1 ZINC001443987751 929761571 /nfs/dbraw/zinc/76/15/71/929761571.db2.gz STMRYFSFVGBGPC-JQWIXIFHSA-N 2 2 297.403 0.875 20 0 CCADLP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1conc1C ZINC001444012291 929766605 /nfs/dbraw/zinc/76/66/05/929766605.db2.gz OANIXSLMYVDMJJ-LBPRGKRZSA-N 2 2 291.355 0.933 20 0 CCADLP Cc1cc(C[N@H+](C)CCNC(=O)Cn2cc[nH+]c2C)on1 ZINC001372225463 929771074 /nfs/dbraw/zinc/77/10/74/929771074.db2.gz RKVODCXRAYFHJM-UHFFFAOYSA-N 2 2 291.355 0.736 20 0 CCADLP Cc1cc(C[N@@H+](C)CCNC(=O)Cn2cc[nH+]c2C)on1 ZINC001372225463 929771078 /nfs/dbraw/zinc/77/10/78/929771078.db2.gz RKVODCXRAYFHJM-UHFFFAOYSA-N 2 2 291.355 0.736 20 0 CCADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1nocc1C ZINC001444039239 929771230 /nfs/dbraw/zinc/77/12/30/929771230.db2.gz UUBOTISQMQBIAY-GFCCVEGCSA-N 2 2 291.355 0.864 20 0 CCADLP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ncccn1 ZINC001372544316 929879685 /nfs/dbraw/zinc/87/96/85/929879685.db2.gz WABPAKNOTGTEHO-ZDUSSCGKSA-N 2 2 291.399 0.509 20 0 CCADLP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ncccn1 ZINC001372544316 929879692 /nfs/dbraw/zinc/87/96/92/929879692.db2.gz WABPAKNOTGTEHO-ZDUSSCGKSA-N 2 2 291.399 0.509 20 0 CCADLP CC[C@H](C[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]cn1C)OC ZINC001444718349 929941205 /nfs/dbraw/zinc/94/12/05/929941205.db2.gz WJVLQZIUPYNAHM-GXTWGEPZSA-N 2 2 296.415 0.824 20 0 CCADLP CN(CC[N@H+](C)CCCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001445028053 930011079 /nfs/dbraw/zinc/01/10/79/930011079.db2.gz MNEXCYVTOKKVON-CHWSQXEVSA-N 2 2 294.399 0.296 20 0 CCADLP CN(CC[N@@H+](C)CCCO)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001445028053 930011090 /nfs/dbraw/zinc/01/10/90/930011090.db2.gz MNEXCYVTOKKVON-CHWSQXEVSA-N 2 2 294.399 0.296 20 0 CCADLP CC[N@H+](C)CCC(=O)N(C)CC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001372969567 930033209 /nfs/dbraw/zinc/03/32/09/930033209.db2.gz RZNZDIFBQDMIHH-NSHDSACASA-N 2 2 297.403 0.829 20 0 CCADLP CC[N@@H+](C)CCC(=O)N(C)CC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001372969567 930033219 /nfs/dbraw/zinc/03/32/19/930033219.db2.gz RZNZDIFBQDMIHH-NSHDSACASA-N 2 2 297.403 0.829 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[C@H]1CC[N@H+](CCCO)C1 ZINC001373240539 930110696 /nfs/dbraw/zinc/11/06/96/930110696.db2.gz UQQWGYCQJIGRKH-ZDUSSCGKSA-N 2 2 294.399 0.173 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[C@H]1CC[N@@H+](CCCO)C1 ZINC001373240539 930110703 /nfs/dbraw/zinc/11/07/03/930110703.db2.gz UQQWGYCQJIGRKH-ZDUSSCGKSA-N 2 2 294.399 0.173 20 0 CCADLP Cc1nn(C)cc1C[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001445505016 930148839 /nfs/dbraw/zinc/14/88/39/930148839.db2.gz YYSUURXGUSORNR-LLVKDONJSA-N 2 2 290.371 0.220 20 0 CCADLP C[C@@H](C[NH2+]Cc1ccns1)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001445539336 930164538 /nfs/dbraw/zinc/16/45/38/930164538.db2.gz UOUNHHHGCWCYSV-JQWIXIFHSA-N 2 2 298.412 0.068 20 0 CCADLP C[C@@H](C[NH2+]Cc1ccns1)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001445539336 930164544 /nfs/dbraw/zinc/16/45/44/930164544.db2.gz UOUNHHHGCWCYSV-JQWIXIFHSA-N 2 2 298.412 0.068 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001373453065 930198527 /nfs/dbraw/zinc/19/85/27/930198527.db2.gz CYKPNZJBQLYEAY-DGCLKSJQSA-N 2 2 271.405 0.408 20 0 CCADLP CC(C)OCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001373655835 930284627 /nfs/dbraw/zinc/28/46/27/930284627.db2.gz LSPNGHYLAZMZOX-CYBMUJFWSA-N 2 2 280.372 0.499 20 0 CCADLP CC(C)OCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001373655835 930284632 /nfs/dbraw/zinc/28/46/32/930284632.db2.gz LSPNGHYLAZMZOX-CYBMUJFWSA-N 2 2 280.372 0.499 20 0 CCADLP CC[C@@H](C[N@H+]1CC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C)OC ZINC001446129763 930343290 /nfs/dbraw/zinc/34/32/90/930343290.db2.gz ZRODNMLKHFQJDI-OLZOCXBDSA-N 2 2 294.399 0.876 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@](C)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001373896563 930366714 /nfs/dbraw/zinc/36/67/14/930366714.db2.gz JICVFRVXXLIQEF-ABAIWWIYSA-N 2 2 294.399 0.862 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001373965317 930380525 /nfs/dbraw/zinc/38/05/25/930380525.db2.gz OSXCAARUQMPGEV-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP CC[N@H+](CCOC)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001446306645 930386883 /nfs/dbraw/zinc/38/68/83/930386883.db2.gz LJYJVIPNIXNJFP-UHFFFAOYSA-N 2 2 294.399 0.912 20 0 CCADLP CC[N@@H+](CCOC)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001446306645 930386892 /nfs/dbraw/zinc/38/68/92/930386892.db2.gz LJYJVIPNIXNJFP-UHFFFAOYSA-N 2 2 294.399 0.912 20 0 CCADLP Cc1nonc1C[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001446551311 930434778 /nfs/dbraw/zinc/43/47/78/930434778.db2.gz ATIAQOZHYWJHKZ-AWEZNQCLSA-N 2 2 295.387 0.410 20 0 CCADLP Cc1nonc1C[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001446551311 930434785 /nfs/dbraw/zinc/43/47/85/930434785.db2.gz ATIAQOZHYWJHKZ-AWEZNQCLSA-N 2 2 295.387 0.410 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CCO ZINC001374450527 930512287 /nfs/dbraw/zinc/51/22/87/930512287.db2.gz HINRFNUMFUEHQC-CHWSQXEVSA-N 2 2 294.399 0.168 20 0 CCADLP Cc1nocc1C[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001374520643 930546010 /nfs/dbraw/zinc/54/60/10/930546010.db2.gz OMVYRLBKLPBKGS-CQSZACIVSA-N 2 2 294.399 0.967 20 0 CCADLP Cc1nocc1C[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001374520643 930546015 /nfs/dbraw/zinc/54/60/15/930546015.db2.gz OMVYRLBKLPBKGS-CQSZACIVSA-N 2 2 294.399 0.967 20 0 CCADLP Cc1nocc1C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001374520643 930546021 /nfs/dbraw/zinc/54/60/21/930546021.db2.gz OMVYRLBKLPBKGS-CQSZACIVSA-N 2 2 294.399 0.967 20 0 CCADLP Cc1nocc1C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001374520643 930546026 /nfs/dbraw/zinc/54/60/26/930546026.db2.gz OMVYRLBKLPBKGS-CQSZACIVSA-N 2 2 294.399 0.967 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCC[N@@H+](CCO)CC1 ZINC001447300647 930602117 /nfs/dbraw/zinc/60/21/17/930602117.db2.gz GMAOBWIANMKDAR-GFCCVEGCSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCC[N@H+](CCO)CC1 ZINC001447300647 930602124 /nfs/dbraw/zinc/60/21/24/930602124.db2.gz GMAOBWIANMKDAR-GFCCVEGCSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCC[N@@H+](CCO)CC1 ZINC001447300647 930602132 /nfs/dbraw/zinc/60/21/32/930602132.db2.gz GMAOBWIANMKDAR-GFCCVEGCSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCC[N@H+](CCO)CC1 ZINC001447300647 930602139 /nfs/dbraw/zinc/60/21/39/930602139.db2.gz GMAOBWIANMKDAR-GFCCVEGCSA-N 2 2 280.372 0.305 20 0 CCADLP CCC[NH+]1CC(CCO)(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001448199159 930850653 /nfs/dbraw/zinc/85/06/53/930850653.db2.gz HGTJVUFRTDKRJP-OKILXGFUSA-N 2 2 297.443 0.822 20 0 CCADLP CCC[NH+]1CC(CCO)(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001448199159 930850658 /nfs/dbraw/zinc/85/06/58/930850658.db2.gz HGTJVUFRTDKRJP-OKILXGFUSA-N 2 2 297.443 0.822 20 0 CCADLP C[C@@H]([NH2+]CCF)[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001448463165 930894230 /nfs/dbraw/zinc/89/42/30/930894230.db2.gz ITJOIOOWHGJGBJ-YPMHNXCESA-N 2 2 298.362 0.138 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC1([NH2+]Cc2nnc(C)[nH]2)CC1 ZINC001375531271 930910375 /nfs/dbraw/zinc/91/03/75/930910375.db2.gz RKSXZTHEGHDFLP-UHFFFAOYSA-N 2 2 294.403 0.193 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC1([NH2+]Cc2nnc(C)[nH]2)CC1 ZINC001375531271 930910379 /nfs/dbraw/zinc/91/03/79/930910379.db2.gz RKSXZTHEGHDFLP-UHFFFAOYSA-N 2 2 294.403 0.193 20 0 CCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)C1C[NH+](CCO)C1 ZINC001375678087 930948218 /nfs/dbraw/zinc/94/82/18/930948218.db2.gz ZPCFRNZNDDDQAM-GFCCVEGCSA-N 2 2 294.399 0.532 20 0 CCADLP CC[C@H](C)C[NH2+][C@H](CO)CNC(=O)Cc1c[nH+]cn1C ZINC001448948165 931034017 /nfs/dbraw/zinc/03/40/17/931034017.db2.gz PSWJZZTYNGFTIU-RYUDHWBXSA-N 2 2 282.388 0.075 20 0 CCADLP CCC[NH+]1CCN(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001376106725 931051341 /nfs/dbraw/zinc/05/13/41/931051341.db2.gz UEXJFPJGSAIKOW-UHFFFAOYSA-N 2 2 279.388 0.027 20 0 CCADLP COC[C@H](C)[NH2+][C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001376250667 931105637 /nfs/dbraw/zinc/10/56/37/931105637.db2.gz MTCJRTXBSXZJEO-JQWIXIFHSA-N 2 2 280.372 0.472 20 0 CCADLP CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001449212387 931105688 /nfs/dbraw/zinc/10/56/88/931105688.db2.gz HEMZMTKPEZPSFQ-JHJVBQTASA-N 2 2 294.399 0.674 20 0 CCADLP CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001449212387 931105691 /nfs/dbraw/zinc/10/56/91/931105691.db2.gz HEMZMTKPEZPSFQ-JHJVBQTASA-N 2 2 294.399 0.674 20 0 CCADLP CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001449212387 931105698 /nfs/dbraw/zinc/10/56/98/931105698.db2.gz HEMZMTKPEZPSFQ-JHJVBQTASA-N 2 2 294.399 0.674 20 0 CCADLP CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001449212387 931105702 /nfs/dbraw/zinc/10/57/02/931105702.db2.gz HEMZMTKPEZPSFQ-JHJVBQTASA-N 2 2 294.399 0.674 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001376369099 931135075 /nfs/dbraw/zinc/13/50/75/931135075.db2.gz VYMNFACKHCMKCG-MRVWCRGKSA-N 2 2 292.383 0.616 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001376369099 931135079 /nfs/dbraw/zinc/13/50/79/931135079.db2.gz VYMNFACKHCMKCG-MRVWCRGKSA-N 2 2 292.383 0.616 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001376406435 931142061 /nfs/dbraw/zinc/14/20/61/931142061.db2.gz IXUUCBKOSLXFQG-SRVKXCTJSA-N 2 2 280.372 0.234 20 0 CCADLP CC[C@H](F)C[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001376411017 931142674 /nfs/dbraw/zinc/14/26/74/931142674.db2.gz RRWYYMDLVLPEGC-SRVKXCTJSA-N 2 2 282.363 0.948 20 0 CCADLP COC[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001376577975 931185267 /nfs/dbraw/zinc/18/52/67/931185267.db2.gz WLSZHZWZMSXODX-QWHCGFSZSA-N 2 2 294.399 0.815 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ncc(C)o1)[NH+](C)C ZINC001376812483 931286916 /nfs/dbraw/zinc/28/69/16/931286916.db2.gz PLXKNHDSHAEYMN-PWSUYJOCSA-N 2 2 282.388 0.918 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1nc(C)no1)[NH+](C)C ZINC001376850143 931305674 /nfs/dbraw/zinc/30/56/74/931305674.db2.gz ATNCJYXJGNIAFL-KOLCDFICSA-N 2 2 283.376 0.313 20 0 CCADLP C[C@@H](CCNC(=O)CCn1cc[nH+]c1)[NH2+]C[C@@H]1CCOC1 ZINC001377058405 931371954 /nfs/dbraw/zinc/37/19/54/931371954.db2.gz XHEVQFKDOQHFDC-KBPBESRZSA-N 2 2 294.399 0.794 20 0 CCADLP Cc1[nH+]ccn1CCCN1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000337409263 214063049 /nfs/dbraw/zinc/06/30/49/214063049.db2.gz KPUNDYGCLOEWQI-ZIAGYGMSSA-N 2 2 280.416 0.969 20 0 CCADLP Cc1[nH+]ccn1CCCN1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000337409263 214063052 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CNC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000337471951 214103634 /nfs/dbraw/zinc/10/36/34/214103634.db2.gz WDMAWLPOQRZSNB-CYBMUJFWSA-N 2 2 269.389 0.167 20 0 CCADLP CNC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000337471951 214103637 /nfs/dbraw/zinc/10/36/37/214103637.db2.gz WDMAWLPOQRZSNB-CYBMUJFWSA-N 2 2 269.389 0.167 20 0 CCADLP CC[NH+](CC)CCC[N@@H+]1CC[C@](OC)(C(=O)OC)C1 ZINC000599565750 361744628 /nfs/dbraw/zinc/74/46/28/361744628.db2.gz WIYCWTMVHFSNBM-CQSZACIVSA-N 2 2 272.389 0.982 20 0 CCADLP CC[NH+](CC)CCC[N@H+]1CC[C@](OC)(C(=O)OC)C1 ZINC000599565750 361744634 /nfs/dbraw/zinc/74/46/34/361744634.db2.gz WIYCWTMVHFSNBM-CQSZACIVSA-N 2 2 272.389 0.982 20 0 CCADLP Cc1cc(NCc2cccnc2N2CC[NH+](C)CC2)nc[nH+]1 ZINC000599573123 361749928 /nfs/dbraw/zinc/74/99/28/361749928.db2.gz BPCBBAJSSWPXNK-UHFFFAOYSA-N 2 2 298.394 0.966 20 0 CCADLP O=C(NCC[NH+]1CCOCC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000337550510 214152295 /nfs/dbraw/zinc/15/22/95/214152295.db2.gz PCYBUIBTPPLYEC-ZIAGYGMSSA-N 2 2 296.415 0.245 20 0 CCADLP O=C(NCC[NH+]1CCOCC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000337550510 214152301 /nfs/dbraw/zinc/15/23/01/214152301.db2.gz PCYBUIBTPPLYEC-ZIAGYGMSSA-N 2 2 296.415 0.245 20 0 CCADLP CC(C)CO[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093189628 349529536 /nfs/dbraw/zinc/52/95/36/349529536.db2.gz QKZFAIZVCHFIKS-CQSZACIVSA-N 2 2 283.416 0.507 20 0 CCADLP CC(C)CO[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093189628 349529539 /nfs/dbraw/zinc/52/95/39/349529539.db2.gz QKZFAIZVCHFIKS-CQSZACIVSA-N 2 2 283.416 0.507 20 0 CCADLP C[NH+](C)CCn1ccc(=NC(=O)[C@H]2[NH2+]CCCC2(C)C)[nH]1 ZINC000423390483 282115386 /nfs/dbraw/zinc/11/53/86/282115386.db2.gz OURSQDBSUZIAAM-CYBMUJFWSA-N 2 2 293.415 0.583 20 0 CCADLP C[NH+](C)CCC1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000093159712 349528626 /nfs/dbraw/zinc/52/86/26/349528626.db2.gz RKPUTLGVDBWWSP-UHFFFAOYSA-N 3 2 296.459 0.424 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)CC1CCOCC1 ZINC000093256846 349534043 /nfs/dbraw/zinc/53/40/43/349534043.db2.gz GOYHDQFPOIXZRP-UHFFFAOYSA-N 2 2 269.389 0.119 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)CC1CCOCC1 ZINC000093256846 349534047 /nfs/dbraw/zinc/53/40/47/349534047.db2.gz GOYHDQFPOIXZRP-UHFFFAOYSA-N 2 2 269.389 0.119 20 0 CCADLP Cc1n[nH]cc1C[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000093413036 349541666 /nfs/dbraw/zinc/54/16/66/349541666.db2.gz RVLJOTOYRNMUPQ-UHFFFAOYSA-N 2 2 266.389 0.997 20 0 CCADLP Cc1n[nH]cc1C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000093413036 349541667 /nfs/dbraw/zinc/54/16/67/349541667.db2.gz RVLJOTOYRNMUPQ-UHFFFAOYSA-N 2 2 266.389 0.997 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000337751751 214246222 /nfs/dbraw/zinc/24/62/22/214246222.db2.gz JKTNWWFOKHMKBV-GFCCVEGCSA-N 2 2 262.419 0.870 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000337751751 214246224 /nfs/dbraw/zinc/24/62/24/214246224.db2.gz JKTNWWFOKHMKBV-GFCCVEGCSA-N 2 2 262.419 0.870 20 0 CCADLP CCn1c[nH+]cc1C[N@@H+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000600188763 361884584 /nfs/dbraw/zinc/88/45/84/361884584.db2.gz DRISCMJAXKVKCJ-ZDUSSCGKSA-N 2 2 267.329 0.667 20 0 CCADLP CCn1c[nH+]cc1C[N@H+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000600188763 361884590 /nfs/dbraw/zinc/88/45/90/361884590.db2.gz DRISCMJAXKVKCJ-ZDUSSCGKSA-N 2 2 267.329 0.667 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000096785945 349623439 /nfs/dbraw/zinc/62/34/39/349623439.db2.gz GUERAHZBHZJKAJ-GFCCVEGCSA-N 2 2 262.357 0.610 20 0 CCADLP CC[C@@H]1CN(CC[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CCO1 ZINC000487190484 529393925 /nfs/dbraw/zinc/39/39/25/529393925.db2.gz QYXMEPKOSCISFJ-MGPQQGTHSA-N 2 2 255.406 0.637 20 0 CCADLP CC[C@@H]1CN(CC[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CCO1 ZINC000487190484 529393929 /nfs/dbraw/zinc/39/39/29/529393929.db2.gz QYXMEPKOSCISFJ-MGPQQGTHSA-N 2 2 255.406 0.637 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000417897781 529448416 /nfs/dbraw/zinc/44/84/16/529448416.db2.gz YIUYEHMVTODJQD-NSHDSACASA-N 2 2 261.329 0.871 20 0 CCADLP CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000423157330 529494204 /nfs/dbraw/zinc/49/42/04/529494204.db2.gz MOXRTOJTAXTXSO-SRVKXCTJSA-N 2 2 277.434 0.434 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)NCC[N@@H+]1CCCOCC1 ZINC000491961500 529553192 /nfs/dbraw/zinc/55/31/92/529553192.db2.gz JMMNUHPSMJBNFV-SNAWJCMRSA-N 2 2 292.383 0.755 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)NCC[N@H+]1CCCOCC1 ZINC000491961500 529553198 /nfs/dbraw/zinc/55/31/98/529553198.db2.gz JMMNUHPSMJBNFV-SNAWJCMRSA-N 2 2 292.383 0.755 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000417920884 529563934 /nfs/dbraw/zinc/56/39/34/529563934.db2.gz HGODAUJLVFQEPS-VXGBXAGGSA-N 2 2 277.372 0.697 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]2C(=O)N(C)C[C@H]21 ZINC000284868714 282207060 /nfs/dbraw/zinc/20/70/60/282207060.db2.gz PQMSLXZTELFEEE-CHWSQXEVSA-N 2 2 262.357 0.744 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]2C(=O)N(C)C[C@H]21 ZINC000284868714 282207061 /nfs/dbraw/zinc/20/70/61/282207061.db2.gz PQMSLXZTELFEEE-CHWSQXEVSA-N 2 2 262.357 0.744 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC(=O)N1CCCC1 ZINC000374419845 282214791 /nfs/dbraw/zinc/21/47/91/282214791.db2.gz JEESKXCXPPXIQK-KFWWJZLASA-N 2 2 295.427 0.792 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC(=O)N1CCCC1 ZINC000374419845 282214793 /nfs/dbraw/zinc/21/47/93/282214793.db2.gz JEESKXCXPPXIQK-KFWWJZLASA-N 2 2 295.427 0.792 20 0 CCADLP C[NH+](C)[C@H](C[NH2+][C@@H]1CCC(=O)NC1(C)C)C1CC1 ZINC000494888909 282248144 /nfs/dbraw/zinc/24/81/44/282248144.db2.gz JJTCUWCHVPELOW-VXGBXAGGSA-N 2 2 253.390 0.973 20 0 CCADLP CCC(CC)[C@H](C(=O)NC[C@@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000178761545 282254487 /nfs/dbraw/zinc/25/44/87/282254487.db2.gz MJUVTNRNXFRKGP-LSDHHAIUSA-N 2 2 297.443 0.992 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CCC[NH+]2C)[C@@H](C)CO1 ZINC000617732586 365742830 /nfs/dbraw/zinc/74/28/30/365742830.db2.gz HDNJMGIEQGFFJT-YNEHKIRRSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CCC[NH+]2C)[C@@H](C)CO1 ZINC000617732586 365742836 /nfs/dbraw/zinc/74/28/36/365742836.db2.gz HDNJMGIEQGFFJT-YNEHKIRRSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](C)CO1 ZINC000617732586 365742844 /nfs/dbraw/zinc/74/28/44/365742844.db2.gz HDNJMGIEQGFFJT-YNEHKIRRSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CCC[N@H+]2C)[C@@H](C)CO1 ZINC000617732586 365742851 /nfs/dbraw/zinc/74/28/51/365742851.db2.gz HDNJMGIEQGFFJT-YNEHKIRRSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000156828169 136387090 /nfs/dbraw/zinc/38/70/90/136387090.db2.gz FXIWKLCECYROJE-VXGBXAGGSA-N 2 2 292.383 0.518 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C[NH+](C)C)C2)C[C@@H](C)O1 ZINC000113514020 349815144 /nfs/dbraw/zinc/81/51/44/349815144.db2.gz NHKISDLZGHPUCJ-MGPQQGTHSA-N 2 2 283.416 0.506 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C[NH+](C)C)C2)C[C@@H](C)O1 ZINC000113514020 349815146 /nfs/dbraw/zinc/81/51/46/349815146.db2.gz NHKISDLZGHPUCJ-MGPQQGTHSA-N 2 2 283.416 0.506 20 0 CCADLP Cc1cn(C)nc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617762197 365765073 /nfs/dbraw/zinc/76/50/73/365765073.db2.gz JMNFDHRWCOQYSJ-UHFFFAOYSA-N 2 2 281.404 0.342 20 0 CCADLP Cc1cn(C)nc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617762197 365765078 /nfs/dbraw/zinc/76/50/78/365765078.db2.gz JMNFDHRWCOQYSJ-UHFFFAOYSA-N 2 2 281.404 0.342 20 0 CCADLP CC[C@](C)(CO)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617762585 365765294 /nfs/dbraw/zinc/76/52/94/365765294.db2.gz SQQTZQRXDILNSD-CQSZACIVSA-N 2 2 273.421 0.395 20 0 CCADLP CC[C@](C)(CO)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617762585 365765295 /nfs/dbraw/zinc/76/52/95/365765295.db2.gz SQQTZQRXDILNSD-CQSZACIVSA-N 2 2 273.421 0.395 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cscn1 ZINC000617764732 365768692 /nfs/dbraw/zinc/76/86/92/365768692.db2.gz DMPDTSYPXABHTO-UHFFFAOYSA-N 2 2 270.402 0.756 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cscn1 ZINC000617764732 365768697 /nfs/dbraw/zinc/76/86/97/365768697.db2.gz DMPDTSYPXABHTO-UHFFFAOYSA-N 2 2 270.402 0.756 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1C[C@@]12CCOC2 ZINC000617764979 365769409 /nfs/dbraw/zinc/76/94/09/365769409.db2.gz OWVBQHWVHWXJCT-DZGCQCFKSA-N 2 2 283.416 0.413 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@@]12CCOC2 ZINC000617764979 365769412 /nfs/dbraw/zinc/76/94/12/365769412.db2.gz OWVBQHWVHWXJCT-DZGCQCFKSA-N 2 2 283.416 0.413 20 0 CCADLP Cc1cnn(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000617767110 365773181 /nfs/dbraw/zinc/77/31/81/365773181.db2.gz HHGTVMNRAMFSLR-UHFFFAOYSA-N 2 2 281.404 0.191 20 0 CCADLP Cc1cnn(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000617767110 365773187 /nfs/dbraw/zinc/77/31/87/365773187.db2.gz HHGTVMNRAMFSLR-UHFFFAOYSA-N 2 2 281.404 0.191 20 0 CCADLP Cc1nn(C)c2ncc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)cc12 ZINC000359478067 282289019 /nfs/dbraw/zinc/28/90/19/282289019.db2.gz XHNSFCUNXSQJBL-STQMWFEESA-N 2 2 271.368 0.928 20 0 CCADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000423871569 529788622 /nfs/dbraw/zinc/78/86/22/529788622.db2.gz PTEYUEINMWTWLM-KKUMJFAQSA-N 2 2 295.427 0.683 20 0 CCADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000423871569 529788623 /nfs/dbraw/zinc/78/86/23/529788623.db2.gz PTEYUEINMWTWLM-KKUMJFAQSA-N 2 2 295.427 0.683 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H](CO)[C@H]2CCCO2)n1C ZINC000425337053 529810541 /nfs/dbraw/zinc/81/05/41/529810541.db2.gz MJOIJMDTGTWVDO-NWDGAFQWSA-N 2 2 268.361 0.116 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H](CO)CC(C)(C)C ZINC000451780324 529827625 /nfs/dbraw/zinc/82/76/25/529827625.db2.gz NCVYLJORRXQNGA-ZDUSSCGKSA-N 2 2 285.432 0.489 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H](CO)CC(C)(C)C ZINC000451780324 529827628 /nfs/dbraw/zinc/82/76/28/529827628.db2.gz NCVYLJORRXQNGA-ZDUSSCGKSA-N 2 2 285.432 0.489 20 0 CCADLP C[C@H](C(=O)N(C)C)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000115739219 349860776 /nfs/dbraw/zinc/86/07/76/349860776.db2.gz XOKFAJRCQHGZBD-GFCCVEGCSA-N 2 2 271.405 0.242 20 0 CCADLP C[C@H](C(=O)N(C)C)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000115739219 349860780 /nfs/dbraw/zinc/86/07/80/349860780.db2.gz XOKFAJRCQHGZBD-GFCCVEGCSA-N 2 2 271.405 0.242 20 0 CCADLP C[C@@H](C(=O)N(C)C)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000116399895 349869687 /nfs/dbraw/zinc/86/96/87/349869687.db2.gz CBMDAVRBYXWUQO-LSDHHAIUSA-N 2 2 296.459 0.565 20 0 CCADLP C[C@@H](C(=O)N(C)C)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000116399895 349869693 /nfs/dbraw/zinc/86/96/93/349869693.db2.gz CBMDAVRBYXWUQO-LSDHHAIUSA-N 2 2 296.459 0.565 20 0 CCADLP CN1C[C@H](C[NH+]2CCC([N@H+](C)CCCO)CC2)OC1=O ZINC000495726480 529893369 /nfs/dbraw/zinc/89/33/69/529893369.db2.gz HIMHZBKRAXFJBB-CYBMUJFWSA-N 2 2 285.388 0.216 20 0 CCADLP CN1C[C@H](C[NH+]2CCC([N@@H+](C)CCCO)CC2)OC1=O ZINC000495726480 529893371 /nfs/dbraw/zinc/89/33/71/529893371.db2.gz HIMHZBKRAXFJBB-CYBMUJFWSA-N 2 2 285.388 0.216 20 0 CCADLP Cc1cc(N[C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)cc[nH+]1 ZINC000573578792 334949365 /nfs/dbraw/zinc/94/93/65/334949365.db2.gz WGDRQHAQXCWEQM-IUODEOHRSA-N 2 2 285.351 0.977 20 0 CCADLP CN(C(=O)c1cn[nH]n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601472338 362284295 /nfs/dbraw/zinc/28/42/95/362284295.db2.gz KGCFOZKSLGPIOR-GFCCVEGCSA-N 2 2 292.387 0.045 20 0 CCADLP CN(C(=O)c1cn[nH]n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601472338 362284299 /nfs/dbraw/zinc/28/42/99/362284299.db2.gz KGCFOZKSLGPIOR-GFCCVEGCSA-N 2 2 292.387 0.045 20 0 CCADLP C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843853 282350597 /nfs/dbraw/zinc/35/05/97/282350597.db2.gz VHUAIHTXQPMWNE-GFCCVEGCSA-N 2 2 298.431 0.884 20 0 CCADLP C[N@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@@H]1CCC[NH+](C)C1 ZINC000118843853 282350598 /nfs/dbraw/zinc/35/05/98/282350598.db2.gz VHUAIHTXQPMWNE-GFCCVEGCSA-N 2 2 298.431 0.884 20 0 CCADLP C[NH+](CC(=O)NC(=O)NC(C)(C)C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843853 282350600 /nfs/dbraw/zinc/35/06/00/282350600.db2.gz VHUAIHTXQPMWNE-GFCCVEGCSA-N 2 2 298.431 0.884 20 0 CCADLP C[NH+](CC(=O)NC(=O)NC(C)(C)C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843853 282350602 /nfs/dbraw/zinc/35/06/02/282350602.db2.gz VHUAIHTXQPMWNE-GFCCVEGCSA-N 2 2 298.431 0.884 20 0 CCADLP CCn1cc[nH+]c1CN1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000161192917 290734196 /nfs/dbraw/zinc/73/41/96/290734196.db2.gz AGJWLBGHTNIXFB-NEPJUHHUSA-N 2 2 252.362 0.841 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000358214975 232064933 /nfs/dbraw/zinc/06/49/33/232064933.db2.gz GAHYEUUUTZPLAL-JSGCOSHPSA-N 2 2 297.424 0.505 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000358214975 232064936 /nfs/dbraw/zinc/06/49/36/232064936.db2.gz GAHYEUUUTZPLAL-JSGCOSHPSA-N 2 2 297.424 0.505 20 0 CCADLP COCCC(=O)N1CCC([NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000358298103 232077203 /nfs/dbraw/zinc/07/72/03/232077203.db2.gz MDSFZDYKTYNXQT-TZMCWYRMSA-N 2 2 283.416 0.554 20 0 CCADLP COCCC(=O)N1CCC([NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000358298103 232077206 /nfs/dbraw/zinc/07/72/06/232077206.db2.gz MDSFZDYKTYNXQT-TZMCWYRMSA-N 2 2 283.416 0.554 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C[C@H]3CCCO3)C2)CC1 ZINC000602200168 362554567 /nfs/dbraw/zinc/55/45/67/362554567.db2.gz GKDSNRBYWQRTNN-DZGCQCFKSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C[C@H]3CCCO3)C2)CC1 ZINC000602200168 362554573 /nfs/dbraw/zinc/55/45/73/362554573.db2.gz GKDSNRBYWQRTNN-DZGCQCFKSA-N 2 2 295.427 0.840 20 0 CCADLP CCc1nocc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000339204315 215013779 /nfs/dbraw/zinc/01/37/79/215013779.db2.gz VTKPPSPBNVKLNN-GFCCVEGCSA-N 2 2 253.346 0.783 20 0 CCADLP O[C@@H]1CCOC[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000631751260 370656434 /nfs/dbraw/zinc/65/64/34/370656434.db2.gz FEOGHQPZFZXGGW-RBSFLKMASA-N 2 2 284.400 0.369 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1CCc1c[nH+]cn1C ZINC000602799210 362807710 /nfs/dbraw/zinc/80/77/10/362807710.db2.gz BSGBDPKYHVPIDC-STQMWFEESA-N 2 2 281.356 0.615 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1CCc1c[nH+]cn1C ZINC000602799210 362807712 /nfs/dbraw/zinc/80/77/12/362807712.db2.gz BSGBDPKYHVPIDC-STQMWFEESA-N 2 2 281.356 0.615 20 0 CCADLP C[C@H]1C[N@H+](CCc2c[nH+]cn2C)CC[S@@](=O)C1 ZINC000602824694 362819780 /nfs/dbraw/zinc/81/97/80/362819780.db2.gz ZYUVOQRFOYARNL-APPDUMDISA-N 2 2 255.387 0.663 20 0 CCADLP C[C@H]1C[N@@H+](CCc2c[nH+]cn2C)CC[S@@](=O)C1 ZINC000602824694 362819789 /nfs/dbraw/zinc/81/97/89/362819789.db2.gz ZYUVOQRFOYARNL-APPDUMDISA-N 2 2 255.387 0.663 20 0 CCADLP COC(=O)C[C@H]1COCC[N@@H+]1CCc1c[nH+]cn1C ZINC000602828620 362823227 /nfs/dbraw/zinc/82/32/27/362823227.db2.gz OTDLXERZGMDQKO-LBPRGKRZSA-N 2 2 267.329 0.227 20 0 CCADLP COC(=O)C[C@H]1COCC[N@H+]1CCc1c[nH+]cn1C ZINC000602828620 362823231 /nfs/dbraw/zinc/82/32/31/362823231.db2.gz OTDLXERZGMDQKO-LBPRGKRZSA-N 2 2 267.329 0.227 20 0 CCADLP CCNC(=O)[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000339331171 215099045 /nfs/dbraw/zinc/09/90/45/215099045.db2.gz SVCLYESJVDNMMK-CHWSQXEVSA-N 2 2 271.405 0.192 20 0 CCADLP CCNC(=O)[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C(C)C ZINC000339331171 215099047 /nfs/dbraw/zinc/09/90/47/215099047.db2.gz SVCLYESJVDNMMK-CHWSQXEVSA-N 2 2 271.405 0.192 20 0 CCADLP CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261682773 137015310 /nfs/dbraw/zinc/01/53/10/137015310.db2.gz MPMCMLLKWNDNEI-ZIAGYGMSSA-N 2 2 296.459 0.659 20 0 CCADLP Cn1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cn1 ZINC000252668705 137003604 /nfs/dbraw/zinc/00/36/04/137003604.db2.gz ZVKKIZOPFWDHFM-STQMWFEESA-N 2 2 250.346 0.373 20 0 CCADLP Cn1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cn1 ZINC000252668705 137003605 /nfs/dbraw/zinc/00/36/05/137003605.db2.gz ZVKKIZOPFWDHFM-STQMWFEESA-N 2 2 250.346 0.373 20 0 CCADLP c1snnc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261547419 137007174 /nfs/dbraw/zinc/00/71/74/137007174.db2.gz HYYLELOHGNFWLF-LLVKDONJSA-N 2 2 253.375 0.018 20 0 CCADLP c1snnc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261547419 137007175 /nfs/dbraw/zinc/00/71/75/137007175.db2.gz HYYLELOHGNFWLF-LLVKDONJSA-N 2 2 253.375 0.018 20 0 CCADLP O=C(C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)NC1CCCC1 ZINC000261632849 137013150 /nfs/dbraw/zinc/01/31/50/137013150.db2.gz BIWOTDMZSUDKGW-CQSZACIVSA-N 2 2 280.416 0.025 20 0 CCADLP CC1CCN(C(=O)C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000261633213 137013313 /nfs/dbraw/zinc/01/33/13/137013313.db2.gz WDIZQLKCDFKCKK-HNNXBMFYSA-N 2 2 265.401 0.930 20 0 CCADLP CC1CCN(C(=O)C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000261633213 137013314 /nfs/dbraw/zinc/01/33/14/137013314.db2.gz WDIZQLKCDFKCKK-HNNXBMFYSA-N 2 2 265.401 0.930 20 0 CCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)C1([NH3+])CCCC1 ZINC000262643025 137048896 /nfs/dbraw/zinc/04/88/96/137048896.db2.gz LVAYPXLSODUQKV-LBPRGKRZSA-N 2 2 268.405 0.010 20 0 CCADLP C[C@H]([C@H](C)NC(=O)C[NH2+]CC1CC1)[NH+]1CCOCC1 ZINC000262668797 137049848 /nfs/dbraw/zinc/04/98/48/137049848.db2.gz LYWPBCCHFUKNDI-NWDGAFQWSA-N 2 2 269.389 0.211 20 0 CCADLP O=C(NCC[NH+]1CCCCC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262730470 137051945 /nfs/dbraw/zinc/05/19/45/137051945.db2.gz BKWPKEAXVCVVFQ-JTQLQIEISA-N 2 2 261.316 0.586 20 0 CCADLP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CC[NH+](CC2CC2)CC1 ZINC000262915809 137055389 /nfs/dbraw/zinc/05/53/89/137055389.db2.gz GFTKJNFXGPCOBS-LLVKDONJSA-N 2 2 273.327 0.538 20 0 CCADLP CO[C@H](C)c1noc(C[N@@H+]2CCCN(CC[NH3+])CC2)n1 ZINC000263106862 137058438 /nfs/dbraw/zinc/05/84/38/137058438.db2.gz ZXPGLULFLNBMAX-LLVKDONJSA-N 2 2 283.376 0.243 20 0 CCADLP CO[C@H](C)c1noc(C[N@H+]2CCCN(CC[NH3+])CC2)n1 ZINC000263106862 137058439 /nfs/dbraw/zinc/05/84/39/137058439.db2.gz ZXPGLULFLNBMAX-LLVKDONJSA-N 2 2 283.376 0.243 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@@](C)(C[NH3+])C2)n(C)n1 ZINC000261685281 137015732 /nfs/dbraw/zinc/01/57/32/137015732.db2.gz HERUNQIBPPACKC-ZDUSSCGKSA-N 2 2 265.361 0.338 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2CC[C@@](C)(C[NH3+])C2)n(C)n1 ZINC000261685281 137015733 /nfs/dbraw/zinc/01/57/33/137015733.db2.gz HERUNQIBPPACKC-ZDUSSCGKSA-N 2 2 265.361 0.338 20 0 CCADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000261726373 137017252 /nfs/dbraw/zinc/01/72/52/137017252.db2.gz QSCMPHIPZDMJBD-OAHLLOKOSA-N 2 2 296.415 0.816 20 0 CCADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000261726373 137017253 /nfs/dbraw/zinc/01/72/53/137017253.db2.gz QSCMPHIPZDMJBD-OAHLLOKOSA-N 2 2 296.415 0.816 20 0 CCADLP COCCN(C)c1ccc(C[N@@H+]2CCC[NH2+]CC2)cn1 ZINC000261785857 137019896 /nfs/dbraw/zinc/01/98/96/137019896.db2.gz FTMLNTWAPYWSDE-UHFFFAOYSA-N 2 2 278.400 0.960 20 0 CCADLP COCCN(C)c1ccc(C[N@H+]2CCC[NH2+]CC2)cn1 ZINC000261785857 137019897 /nfs/dbraw/zinc/01/98/97/137019897.db2.gz FTMLNTWAPYWSDE-UHFFFAOYSA-N 2 2 278.400 0.960 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261896164 137024630 /nfs/dbraw/zinc/02/46/30/137024630.db2.gz ULUQZAYEJZDEMD-OLZOCXBDSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261896164 137024631 /nfs/dbraw/zinc/02/46/31/137024631.db2.gz ULUQZAYEJZDEMD-OLZOCXBDSA-N 2 2 269.389 0.213 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000618190789 365922965 /nfs/dbraw/zinc/92/29/65/365922965.db2.gz GMOJQYUCGZRZIP-UHFFFAOYSA-N 2 2 269.389 0.117 20 0 CCADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000263142420 137059226 /nfs/dbraw/zinc/05/92/26/137059226.db2.gz CLPAXSLKMUDLNR-RYUDHWBXSA-N 2 2 287.354 0.928 20 0 CCADLP C[C@H]1C[N@H+](CC(C)(C)[NH3+])CC[C@H]1N1CC[NH+](C)CC1 ZINC000261914690 137025675 /nfs/dbraw/zinc/02/56/75/137025675.db2.gz JSJLFZJOLIYKLS-UONOGXRCSA-N 3 2 268.449 0.682 20 0 CCADLP C[C@H]1C[N@@H+](CC(C)(C)[NH3+])CC[C@H]1N1CC[NH+](C)CC1 ZINC000261914690 137025676 /nfs/dbraw/zinc/02/56/76/137025676.db2.gz JSJLFZJOLIYKLS-UONOGXRCSA-N 3 2 268.449 0.682 20 0 CCADLP C[C@@H]1C[C@@H]1C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000261918550 137026029 /nfs/dbraw/zinc/02/60/29/137026029.db2.gz KEZIMLGQBVRXMX-UPJWGTAASA-N 2 2 251.374 0.539 20 0 CCADLP C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000261918550 137026030 /nfs/dbraw/zinc/02/60/30/137026030.db2.gz KEZIMLGQBVRXMX-UPJWGTAASA-N 2 2 251.374 0.539 20 0 CCADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000263142415 137059350 /nfs/dbraw/zinc/05/93/50/137059350.db2.gz CLPAXSLKMUDLNR-NEPJUHHUSA-N 2 2 287.354 0.928 20 0 CCADLP COC[C@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000262241279 137032326 /nfs/dbraw/zinc/03/23/26/137032326.db2.gz HSRLURGJQFSWBE-ZFWWWQNUSA-N 2 2 291.395 0.693 20 0 CCADLP COC[C@H]([NH3+])C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000262241279 137032327 /nfs/dbraw/zinc/03/23/27/137032327.db2.gz HSRLURGJQFSWBE-ZFWWWQNUSA-N 2 2 291.395 0.693 20 0 CCADLP O=C(NCC[NH+]1CCSCC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263272270 137062478 /nfs/dbraw/zinc/06/24/78/137062478.db2.gz SKILQDCWBDBUKA-SECBINFHSA-N 2 2 279.356 0.149 20 0 CCADLP COCC[N@@H+]1CC[C@H]([NH2+]CCc2cnn(C)c2)C1 ZINC000328462042 137079972 /nfs/dbraw/zinc/07/99/72/137079972.db2.gz HOLPOYAYUUBYPA-ZDUSSCGKSA-N 2 2 252.362 0.273 20 0 CCADLP COCC[N@H+]1CC[C@H]([NH2+]CCc2cnn(C)c2)C1 ZINC000328462042 137079973 /nfs/dbraw/zinc/07/99/73/137079973.db2.gz HOLPOYAYUUBYPA-ZDUSSCGKSA-N 2 2 252.362 0.273 20 0 CCADLP C[N@H+](C[C@H]1CCCOC1)C1CC[NH+](CCO)CC1 ZINC000342939888 137104745 /nfs/dbraw/zinc/10/47/45/137104745.db2.gz FMYYUJGEBMBCSQ-CYBMUJFWSA-N 2 2 256.390 0.802 20 0 CCADLP C[N@@H+](C[C@H]1CCCOC1)C1CC[NH+](CCO)CC1 ZINC000342939888 137104746 /nfs/dbraw/zinc/10/47/46/137104746.db2.gz FMYYUJGEBMBCSQ-CYBMUJFWSA-N 2 2 256.390 0.802 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CCC[N@@H+]1C ZINC000343498801 137138894 /nfs/dbraw/zinc/13/88/94/137138894.db2.gz HENKDXVNDUAKRV-NEPJUHHUSA-N 2 2 250.346 0.872 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CCC[N@H+]1C ZINC000343498801 137138895 /nfs/dbraw/zinc/13/88/95/137138895.db2.gz HENKDXVNDUAKRV-NEPJUHHUSA-N 2 2 250.346 0.872 20 0 CCADLP Cc1nc(N[C@@H]2CCC[N@H+](C)[C@H]2C)nc(N(C)C)[nH+]1 ZINC000343586936 137144288 /nfs/dbraw/zinc/14/42/88/137144288.db2.gz CKKVRQIZPSLMIW-GXSJLCMTSA-N 2 2 264.377 0.563 20 0 CCADLP Cc1nc(N[C@@H]2CCC[N@@H+](C)[C@H]2C)nc(N(C)C)[nH+]1 ZINC000343586936 137144289 /nfs/dbraw/zinc/14/42/89/137144289.db2.gz CKKVRQIZPSLMIW-GXSJLCMTSA-N 2 2 264.377 0.563 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCNC(=O)c2cnccn2)C1 ZINC000343916572 137166420 /nfs/dbraw/zinc/16/64/20/137166420.db2.gz QIVDGNMOTWHDTP-DGCLKSJQSA-N 2 2 277.372 0.136 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCNC(=O)c2cnccn2)C1 ZINC000343916572 137166421 /nfs/dbraw/zinc/16/64/21/137166421.db2.gz QIVDGNMOTWHDTP-DGCLKSJQSA-N 2 2 277.372 0.136 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCC[NH+]1CCC[C@@H]1CO ZINC000344388518 137192109 /nfs/dbraw/zinc/19/21/09/137192109.db2.gz UJYTZVLANYXJKA-RBSFLKMASA-N 3 2 269.433 0.763 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCC[NH+]1CCC[C@@H]1CO ZINC000344388518 137192110 /nfs/dbraw/zinc/19/21/10/137192110.db2.gz UJYTZVLANYXJKA-RBSFLKMASA-N 3 2 269.433 0.763 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000344388518 137192111 /nfs/dbraw/zinc/19/21/11/137192111.db2.gz UJYTZVLANYXJKA-RBSFLKMASA-N 3 2 269.433 0.763 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000344388518 137192112 /nfs/dbraw/zinc/19/21/12/137192112.db2.gz UJYTZVLANYXJKA-RBSFLKMASA-N 3 2 269.433 0.763 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1CC[NH+](CCO)CC1 ZINC000344223087 137184893 /nfs/dbraw/zinc/18/48/93/137184893.db2.gz ZBAUASTXOLMNLZ-JSGCOSHPSA-N 3 2 255.406 0.230 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1CC[NH+](CCO)CC1 ZINC000344223087 137184894 /nfs/dbraw/zinc/18/48/94/137184894.db2.gz ZBAUASTXOLMNLZ-JSGCOSHPSA-N 3 2 255.406 0.230 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000037008702 348178684 /nfs/dbraw/zinc/17/86/84/348178684.db2.gz VZQPNFCSORWBFP-OCCSQVGLSA-N 2 2 277.368 0.523 20 0 CCADLP C[N@H+](CCn1nc2ccccn2c1=O)C1CC[NH2+]CC1 ZINC000036300346 348165902 /nfs/dbraw/zinc/16/59/02/348165902.db2.gz AZRRARAENBWPMZ-UHFFFAOYSA-N 2 2 275.356 0.180 20 0 CCADLP C[N@@H+](CCn1nc2ccccn2c1=O)C1CC[NH2+]CC1 ZINC000036300346 348165905 /nfs/dbraw/zinc/16/59/05/348165905.db2.gz AZRRARAENBWPMZ-UHFFFAOYSA-N 2 2 275.356 0.180 20 0 CCADLP CC[C@@H](C)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000339414627 215157574 /nfs/dbraw/zinc/15/75/74/215157574.db2.gz GZWITSQBUDOBTI-OLZOCXBDSA-N 2 2 253.390 0.929 20 0 CCADLP CC[C@@H](C)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000339414627 215157577 /nfs/dbraw/zinc/15/75/77/215157577.db2.gz GZWITSQBUDOBTI-OLZOCXBDSA-N 2 2 253.390 0.929 20 0 CCADLP Cc1[nH]c2ccc(NC(=O)[C@H]3C[C@H](O)C[NH2+]3)cc2[nH+]1 ZINC000037042055 348183644 /nfs/dbraw/zinc/18/36/44/348183644.db2.gz KPABCFAQPCYCBB-JOYOIKCWSA-N 2 2 260.297 0.533 20 0 CCADLP COCCCn1nccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000339410456 215154718 /nfs/dbraw/zinc/15/47/18/215154718.db2.gz UCXDSLMBVDOXFL-BETUJISGSA-N 2 2 264.373 0.571 20 0 CCADLP COCCCn1nccc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000339410456 215154721 /nfs/dbraw/zinc/15/47/21/215154721.db2.gz UCXDSLMBVDOXFL-BETUJISGSA-N 2 2 264.373 0.571 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000037818443 348210238 /nfs/dbraw/zinc/21/02/38/348210238.db2.gz PXKLOCVCXVMWCY-CQSZACIVSA-N 2 2 276.384 0.709 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000040856515 348245498 /nfs/dbraw/zinc/24/54/98/348245498.db2.gz LLRMINGCAZQMKW-CQSZACIVSA-N 2 2 292.383 0.518 20 0 CCADLP CO[C@@H]1C[C@@H](CN(C)CC[N@@H+]2CCOC[C@H]2C)[NH+](C)C1 ZINC000345146723 137236328 /nfs/dbraw/zinc/23/63/28/137236328.db2.gz KBQWFJUFTIULOU-QLFBSQMISA-N 2 2 285.432 0.358 20 0 CCADLP CO[C@@H]1C[C@@H](CN(C)CC[N@H+]2CCOC[C@H]2C)[NH+](C)C1 ZINC000345146723 137236329 /nfs/dbraw/zinc/23/63/29/137236329.db2.gz KBQWFJUFTIULOU-QLFBSQMISA-N 2 2 285.432 0.358 20 0 CCADLP CO[C@@H]1C[C@@H](CN(C)CC[NH+]2CCOC[C@H]2C)[N@H+](C)C1 ZINC000345146723 137236330 /nfs/dbraw/zinc/23/63/30/137236330.db2.gz KBQWFJUFTIULOU-QLFBSQMISA-N 2 2 285.432 0.358 20 0 CCADLP CO[C@@H]1C[C@@H](CN(C)CC[NH+]2CCOC[C@H]2C)[N@@H+](C)C1 ZINC000345146723 137236331 /nfs/dbraw/zinc/23/63/31/137236331.db2.gz KBQWFJUFTIULOU-QLFBSQMISA-N 2 2 285.432 0.358 20 0 CCADLP C[NH+](C)CCOCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000345969607 137263077 /nfs/dbraw/zinc/26/30/77/137263077.db2.gz WNAWWUNFCWVIQE-GFCCVEGCSA-N 2 2 280.372 0.140 20 0 CCADLP [NH3+][C@H](CC(F)F)C(=O)NCCCNc1cccc[nH+]1 ZINC000345703406 137247051 /nfs/dbraw/zinc/24/70/51/137247051.db2.gz CSYFISAQHZAKAM-SECBINFHSA-N 2 2 272.299 0.982 20 0 CCADLP [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)C1 ZINC000346288087 137277352 /nfs/dbraw/zinc/27/73/52/137277352.db2.gz PBGHXWIOQUZPCI-OUCADQQQSA-N 2 2 281.400 0.483 20 0 CCADLP [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)C1 ZINC000346288087 137277353 /nfs/dbraw/zinc/27/73/53/137277353.db2.gz PBGHXWIOQUZPCI-OUCADQQQSA-N 2 2 281.400 0.483 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000346540704 137291929 /nfs/dbraw/zinc/29/19/29/137291929.db2.gz NSFABSHJIWEURV-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000346540704 137291930 /nfs/dbraw/zinc/29/19/30/137291930.db2.gz NSFABSHJIWEURV-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(C(=O)N(C)C)[nH]2)C1 ZINC000346691993 137299660 /nfs/dbraw/zinc/29/96/60/137299660.db2.gz XHISCKKFRSPYLE-WDEREUQCSA-N 2 2 264.373 0.886 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(C(=O)N(C)C)[nH]2)C1 ZINC000346691993 137299661 /nfs/dbraw/zinc/29/96/61/137299661.db2.gz XHISCKKFRSPYLE-WDEREUQCSA-N 2 2 264.373 0.886 20 0 CCADLP [NH3+][C@@H]1CCC[N@H+](CCc2nnnn2-c2ccccc2)C1 ZINC000346091820 137267210 /nfs/dbraw/zinc/26/72/10/137267210.db2.gz LWJSYGNUOBCABS-GFCCVEGCSA-N 2 2 272.356 0.628 20 0 CCADLP [NH3+][C@@H]1CCC[N@@H+](CCc2nnnn2-c2ccccc2)C1 ZINC000346091820 137267211 /nfs/dbraw/zinc/26/72/11/137267211.db2.gz LWJSYGNUOBCABS-GFCCVEGCSA-N 2 2 272.356 0.628 20 0 CCADLP C[N@H+](CCOC1CCC1)C1CC[NH+](CCO)CC1 ZINC000347041943 137317301 /nfs/dbraw/zinc/31/73/01/137317301.db2.gz CGQNFYMITXJWGL-UHFFFAOYSA-N 2 2 256.390 0.944 20 0 CCADLP C[N@@H+](CCOC1CCC1)C1CC[NH+](CCO)CC1 ZINC000347041943 137317302 /nfs/dbraw/zinc/31/73/02/137317302.db2.gz CGQNFYMITXJWGL-UHFFFAOYSA-N 2 2 256.390 0.944 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2cn(Cc3cccnc3)nn2)C1 ZINC000347094586 137319753 /nfs/dbraw/zinc/31/97/53/137319753.db2.gz HVGWVKCUBFUHQY-ZDUSSCGKSA-N 2 2 286.383 0.892 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cn(Cc3cccnc3)nn2)C1 ZINC000347094586 137319754 /nfs/dbraw/zinc/31/97/54/137319754.db2.gz HVGWVKCUBFUHQY-ZDUSSCGKSA-N 2 2 286.383 0.892 20 0 CCADLP O=C(NCCCCn1cc[nH+]c1)[C@H]1CSC[NH2+]1 ZINC000045109152 348333457 /nfs/dbraw/zinc/33/34/57/348333457.db2.gz HZJXEQJSUGTINC-SNVBAGLBSA-N 2 2 254.359 0.442 20 0 CCADLP Cn1cc[nH+]c1CN1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000346821665 137306289 /nfs/dbraw/zinc/30/62/89/137306289.db2.gz JDJNHJZGOSRUJF-UHFFFAOYSA-N 3 2 277.416 0.537 20 0 CCADLP COC(=O)[C@]1(C)C[C@H](OC)C[N@@H+]1CCn1cc[nH+]c1 ZINC000602946342 362902730 /nfs/dbraw/zinc/90/27/30/362902730.db2.gz UIFNDSYICHABAZ-AAEUAGOBSA-N 2 2 267.329 0.536 20 0 CCADLP COC(=O)[C@]1(C)C[C@H](OC)C[N@H+]1CCn1cc[nH+]c1 ZINC000602946342 362902734 /nfs/dbraw/zinc/90/27/34/362902734.db2.gz UIFNDSYICHABAZ-AAEUAGOBSA-N 2 2 267.329 0.536 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000339469926 215192798 /nfs/dbraw/zinc/19/27/98/215192798.db2.gz HPAFGAWSDOIEBN-STQMWFEESA-N 2 2 292.383 0.457 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C1 ZINC000339469926 215192801 /nfs/dbraw/zinc/19/28/01/215192801.db2.gz HPAFGAWSDOIEBN-STQMWFEESA-N 2 2 292.383 0.457 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000347707645 137352089 /nfs/dbraw/zinc/35/20/89/137352089.db2.gz XVOLDZHCDLWVTQ-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000347707645 137352090 /nfs/dbraw/zinc/35/20/90/137352090.db2.gz XVOLDZHCDLWVTQ-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP O=C1OCC[C@H]1CC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000120573627 349994042 /nfs/dbraw/zinc/99/40/42/349994042.db2.gz HHNWRLSONPFFKZ-LSDHHAIUSA-N 2 2 296.411 0.984 20 0 CCADLP O=C1OCC[C@H]1CC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000120573627 349994045 /nfs/dbraw/zinc/99/40/45/349994045.db2.gz HHNWRLSONPFFKZ-LSDHHAIUSA-N 2 2 296.411 0.984 20 0 CCADLP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000050462907 348476329 /nfs/dbraw/zinc/47/63/29/348476329.db2.gz ASVYFKNXCBLFOH-QWHCGFSZSA-N 2 2 260.341 0.073 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cn[nH]n3)CC2)CC1 ZINC000050797692 348479130 /nfs/dbraw/zinc/47/91/30/348479130.db2.gz UGLCEZULHZTURV-UHFFFAOYSA-N 2 2 292.387 0.093 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cnn[nH]3)CC2)CC1 ZINC000050797692 348479131 /nfs/dbraw/zinc/47/91/31/348479131.db2.gz 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CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCCC[C@@H]2O)n1C ZINC000070144085 348873607 /nfs/dbraw/zinc/87/36/07/348873607.db2.gz HQKKNFJEMSDTEU-NEPJUHHUSA-N 2 2 252.362 0.879 20 0 CCADLP C[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C(=O)N1CCCCC1 ZINC000070143697 348873822 /nfs/dbraw/zinc/87/38/22/348873822.db2.gz QRIMGOUONYGMOJ-LBPRGKRZSA-N 2 2 293.415 0.977 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)C1 ZINC000072997302 348941385 /nfs/dbraw/zinc/94/13/85/348941385.db2.gz YPVTUEOEWDQQKA-TZMCWYRMSA-N 2 2 294.399 0.665 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)C1 ZINC000072997302 348941387 /nfs/dbraw/zinc/94/13/87/348941387.db2.gz YPVTUEOEWDQQKA-TZMCWYRMSA-N 2 2 294.399 0.665 20 0 CCADLP CC(C)(O)C[NH+]1CCN(CCn2cc[nH+]c2)CC1 ZINC000071382231 348909176 /nfs/dbraw/zinc/90/91/76/348909176.db2.gz BTMHQUXZRXUGOP-UHFFFAOYSA-N 2 2 252.362 0.272 20 0 CCADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Cn1cc[nH+]c1 ZINC000073427207 348951414 /nfs/dbraw/zinc/95/14/14/348951414.db2.gz YSBQMKMCHMTDRG-ZDUSSCGKSA-N 2 2 280.372 0.452 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH+](C)CC2)C1 ZINC000339567682 215247579 /nfs/dbraw/zinc/24/75/79/215247579.db2.gz KXRUQPBDTNOXAQ-CQSZACIVSA-N 2 2 298.431 0.300 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CC[NH+](C)CC2)C1 ZINC000339567682 215247583 /nfs/dbraw/zinc/24/75/83/215247583.db2.gz KXRUQPBDTNOXAQ-CQSZACIVSA-N 2 2 298.431 0.300 20 0 CCADLP CN(C)c1nc(N2CC[C@H](C[NH+]3CCOCC3)C2)cc[nH+]1 ZINC000078405371 349138302 /nfs/dbraw/zinc/13/83/02/349138302.db2.gz KMPRFUOIYATIOF-CYBMUJFWSA-N 2 2 291.399 0.701 20 0 CCADLP C[C@@]1(C(=O)N2CC[NH+](Cc3ccncc3)CC2)CCC[NH2+]1 ZINC000079516555 349181786 /nfs/dbraw/zinc/18/17/86/349181786.db2.gz SODXHVZEBDTSJZ-INIZCTEOSA-N 2 2 288.395 0.868 20 0 CCADLP CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080960727 349235678 /nfs/dbraw/zinc/23/56/78/349235678.db2.gz MGMWVLCPGHSSBL-SECBINFHSA-N 2 2 265.317 0.045 20 0 CCADLP CNC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080960727 349235681 /nfs/dbraw/zinc/23/56/81/349235681.db2.gz MGMWVLCPGHSSBL-SECBINFHSA-N 2 2 265.317 0.045 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961190 349236015 /nfs/dbraw/zinc/23/60/15/349236015.db2.gz TYNCJASMINIJNU-UWVGGRQHSA-N 2 2 279.344 0.433 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961190 349236017 /nfs/dbraw/zinc/23/60/17/349236017.db2.gz TYNCJASMINIJNU-UWVGGRQHSA-N 2 2 279.344 0.433 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000081571958 349276382 /nfs/dbraw/zinc/27/63/82/349276382.db2.gz RIDPPEXWEHYERT-CYBMUJFWSA-N 2 2 298.431 0.886 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000081571958 349276387 /nfs/dbraw/zinc/27/63/87/349276387.db2.gz RIDPPEXWEHYERT-CYBMUJFWSA-N 2 2 298.431 0.886 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+]1CC[C@H](C[N@H+](C)CCC)C1 ZINC000081571958 349276391 /nfs/dbraw/zinc/27/63/91/349276391.db2.gz RIDPPEXWEHYERT-CYBMUJFWSA-N 2 2 298.431 0.886 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+]1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000081571958 349276396 /nfs/dbraw/zinc/27/63/96/349276396.db2.gz RIDPPEXWEHYERT-CYBMUJFWSA-N 2 2 298.431 0.886 20 0 CCADLP CCOC(=O)[C@@H](CC)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000084105434 349315089 /nfs/dbraw/zinc/31/50/89/349315089.db2.gz PNDAWWQKSLRXJY-GFCCVEGCSA-N 2 2 257.378 0.165 20 0 CCADLP CCOC(=O)[C@@H](CC)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000084105434 349315091 /nfs/dbraw/zinc/31/50/91/349315091.db2.gz PNDAWWQKSLRXJY-GFCCVEGCSA-N 2 2 257.378 0.165 20 0 CCADLP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2COCC[NH2+]2)cc1 ZINC000088370134 349362929 /nfs/dbraw/zinc/36/29/29/349362929.db2.gz FBQXMSQJYJKSEO-CQSZACIVSA-N 2 2 293.367 0.554 20 0 CCADLP C[N@@H+]1CCN(C(=O)C[C@@H]2CCCCO2)[C@@H](C[NH3+])C1 ZINC000120775713 350005103 /nfs/dbraw/zinc/00/51/03/350005103.db2.gz SEUPTSHLIZIJJZ-RYUDHWBXSA-N 2 2 255.362 0.047 20 0 CCADLP C[N@H+]1CCN(C(=O)C[C@@H]2CCCCO2)[C@@H](C[NH3+])C1 ZINC000120775713 350005107 /nfs/dbraw/zinc/00/51/07/350005107.db2.gz SEUPTSHLIZIJJZ-RYUDHWBXSA-N 2 2 255.362 0.047 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000089977468 349418039 /nfs/dbraw/zinc/41/80/39/349418039.db2.gz KBZXOGPYWPZECZ-JTQLQIEISA-N 2 2 270.377 0.295 20 0 CCADLP COC(=O)CCNC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123583474 350076760 /nfs/dbraw/zinc/07/67/60/350076760.db2.gz OFQPSZDMQNXENI-RYUDHWBXSA-N 2 2 285.388 0.080 20 0 CCADLP COC(=O)CCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123583474 350076764 /nfs/dbraw/zinc/07/67/64/350076764.db2.gz OFQPSZDMQNXENI-RYUDHWBXSA-N 2 2 285.388 0.080 20 0 CCADLP COC(=O)CCNC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123583474 350076767 /nfs/dbraw/zinc/07/67/67/350076767.db2.gz OFQPSZDMQNXENI-RYUDHWBXSA-N 2 2 285.388 0.080 20 0 CCADLP COC(=O)CCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123583474 350076771 /nfs/dbraw/zinc/07/67/71/350076771.db2.gz OFQPSZDMQNXENI-RYUDHWBXSA-N 2 2 285.388 0.080 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCC(=O)N2CCCCC2)n1C ZINC000123715431 350081386 /nfs/dbraw/zinc/08/13/86/350081386.db2.gz PUHGCNKWQNWIGS-UHFFFAOYSA-N 2 2 293.415 0.978 20 0 CCADLP Cc1ccc(O)c(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])n1 ZINC000122498315 350065645 /nfs/dbraw/zinc/06/56/45/350065645.db2.gz VJMBDGSPNJNQFV-NSHDSACASA-N 2 2 250.346 0.170 20 0 CCADLP Cc1ccc(O)c(CN2CC[N@H+](C)C[C@@H]2C[NH3+])n1 ZINC000122498315 350065648 /nfs/dbraw/zinc/06/56/48/350065648.db2.gz VJMBDGSPNJNQFV-NSHDSACASA-N 2 2 250.346 0.170 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)NC(=O)NCC(C)C)CC[C@@H]1[NH3+] ZINC000122847642 350070166 /nfs/dbraw/zinc/07/01/66/350070166.db2.gz NPPHJZBJEZYKAW-NEPJUHHUSA-N 2 2 284.404 0.527 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)NC(=O)NCC(C)C)CC[C@@H]1[NH3+] ZINC000122847642 350070169 /nfs/dbraw/zinc/07/01/69/350070169.db2.gz NPPHJZBJEZYKAW-NEPJUHHUSA-N 2 2 284.404 0.527 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000124546710 350101230 /nfs/dbraw/zinc/10/12/30/350101230.db2.gz QJPGWBAEEVAFBI-WDEREUQCSA-N 2 2 270.377 0.424 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000124546710 350101234 /nfs/dbraw/zinc/10/12/34/350101234.db2.gz QJPGWBAEEVAFBI-WDEREUQCSA-N 2 2 270.377 0.424 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000124629058 350103316 /nfs/dbraw/zinc/10/33/16/350103316.db2.gz NQNOFTFITDSVKZ-GHMZBOCLSA-N 2 2 270.377 0.280 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000124629058 350103319 /nfs/dbraw/zinc/10/33/19/350103319.db2.gz NQNOFTFITDSVKZ-GHMZBOCLSA-N 2 2 270.377 0.280 20 0 CCADLP [NH3+]CCc1nc(C(=O)NCc2[nH]cc[nH+]2)cs1 ZINC000090957346 180074490 /nfs/dbraw/zinc/07/44/90/180074490.db2.gz HQXIGOIFNQOGNF-UHFFFAOYSA-N 2 2 251.315 0.297 20 0 CCADLP C[C@H]1CC[NH2+][C@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000126094265 350137171 /nfs/dbraw/zinc/13/71/71/350137171.db2.gz DZJQZBJQCZFTAP-RYUDHWBXSA-N 2 2 250.346 0.778 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCC[C@H](C(N)=O)C2)CC[N@@H+]1C ZINC000127954124 350181749 /nfs/dbraw/zinc/18/17/49/350181749.db2.gz XVFHWFZEZWUHCV-KKUMJFAQSA-N 3 2 296.459 0.646 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCC[C@H](C(N)=O)C2)CC[N@H+]1C ZINC000127954124 350181750 /nfs/dbraw/zinc/18/17/50/350181750.db2.gz XVFHWFZEZWUHCV-KKUMJFAQSA-N 3 2 296.459 0.646 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC[NH+]1C ZINC000127954124 350181751 /nfs/dbraw/zinc/18/17/51/350181751.db2.gz XVFHWFZEZWUHCV-KKUMJFAQSA-N 3 2 296.459 0.646 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)CC[NH+]1C ZINC000127954124 350181753 /nfs/dbraw/zinc/18/17/53/350181753.db2.gz XVFHWFZEZWUHCV-KKUMJFAQSA-N 3 2 296.459 0.646 20 0 CCADLP COCCCNC(=O)[C@@H](C)[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000128109190 350185876 /nfs/dbraw/zinc/18/58/76/350185876.db2.gz BRAZCIOXELUPIN-CYBMUJFWSA-N 2 2 297.443 0.992 20 0 CCADLP CC[C@@H]([NH3+])C(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC000130303062 350233807 /nfs/dbraw/zinc/23/38/07/350233807.db2.gz GCODALFOGTXBEC-CYBMUJFWSA-N 2 2 298.431 0.126 20 0 CCADLP CC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC000130303062 350233808 /nfs/dbraw/zinc/23/38/08/350233808.db2.gz GCODALFOGTXBEC-CYBMUJFWSA-N 2 2 298.431 0.126 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000131374692 350273728 /nfs/dbraw/zinc/27/37/28/350273728.db2.gz FYYVICYINLWNLC-HNNXBMFYSA-N 2 2 280.368 0.860 20 0 CCADLP C[C@H](C(=O)NCCC[NH+]1CCCCC1)[NH+]1CCOCC1 ZINC000339701389 215306078 /nfs/dbraw/zinc/30/60/78/215306078.db2.gz HBLZTKBKYLQWAL-CQSZACIVSA-N 2 2 283.416 0.699 20 0 CCADLP COCCCNC(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000133570324 350339013 /nfs/dbraw/zinc/33/90/13/350339013.db2.gz GQYPLWJVMXCZOC-LBPRGKRZSA-N 2 2 259.394 0.444 20 0 CCADLP COCCCNC(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000133570324 350339015 /nfs/dbraw/zinc/33/90/15/350339015.db2.gz GQYPLWJVMXCZOC-LBPRGKRZSA-N 2 2 259.394 0.444 20 0 CCADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@@H](C)Cn2cc[nH+]c2)C1(C)C ZINC000134053713 350352805 /nfs/dbraw/zinc/35/28/05/350352805.db2.gz BYCPKSXIKJZATQ-YWPYICTPSA-N 2 2 294.399 0.920 20 0 CCADLP C[NH+]1CCC([N@H+](CCO)Cc2cccc(C(N)=O)c2)CC1 ZINC000105928047 186092348 /nfs/dbraw/zinc/09/23/48/186092348.db2.gz CWVUELBMGQMYKM-UHFFFAOYSA-N 2 2 291.395 0.674 20 0 CCADLP C[NH+]1CCC([N@@H+](CCO)Cc2cccc(C(N)=O)c2)CC1 ZINC000105928047 186092350 /nfs/dbraw/zinc/09/23/50/186092350.db2.gz CWVUELBMGQMYKM-UHFFFAOYSA-N 2 2 291.395 0.674 20 0 CCADLP CN(C(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1)C1CC1 ZINC000152493116 350530888 /nfs/dbraw/zinc/53/08/88/350530888.db2.gz ACDFOYXHLPIPIH-LBPRGKRZSA-N 2 2 253.390 0.881 20 0 CCADLP CN(C(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)C1CC1 ZINC000152493116 350530890 /nfs/dbraw/zinc/53/08/90/350530890.db2.gz ACDFOYXHLPIPIH-LBPRGKRZSA-N 2 2 253.390 0.881 20 0 CCADLP CN(C(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000152493116 350530894 /nfs/dbraw/zinc/53/08/94/350530894.db2.gz ACDFOYXHLPIPIH-LBPRGKRZSA-N 2 2 253.390 0.881 20 0 CCADLP CN(C(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000152493116 350530896 /nfs/dbraw/zinc/53/08/96/350530896.db2.gz ACDFOYXHLPIPIH-LBPRGKRZSA-N 2 2 253.390 0.881 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152505052 350531903 /nfs/dbraw/zinc/53/19/03/350531903.db2.gz ZJWMMPRJJDRGNP-ZDUSSCGKSA-N 2 2 298.431 0.886 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152505052 350531907 /nfs/dbraw/zinc/53/19/07/350531907.db2.gz ZJWMMPRJJDRGNP-ZDUSSCGKSA-N 2 2 298.431 0.886 20 0 CCADLP CCCCNC(=O)NC(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000152505052 350531909 /nfs/dbraw/zinc/53/19/09/350531909.db2.gz ZJWMMPRJJDRGNP-ZDUSSCGKSA-N 2 2 298.431 0.886 20 0 CCADLP CCCCNC(=O)NC(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000152505052 350531913 /nfs/dbraw/zinc/53/19/13/350531913.db2.gz ZJWMMPRJJDRGNP-ZDUSSCGKSA-N 2 2 298.431 0.886 20 0 CCADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000154901571 350602996 /nfs/dbraw/zinc/60/29/96/350602996.db2.gz XFDOIOXTCPBCQH-RRFJBIMHSA-N 3 2 268.449 0.695 20 0 CCADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000154901571 350603002 /nfs/dbraw/zinc/60/30/02/350603002.db2.gz XFDOIOXTCPBCQH-RRFJBIMHSA-N 3 2 268.449 0.695 20 0 CCADLP COCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154250510 350579917 /nfs/dbraw/zinc/57/99/17/350579917.db2.gz NMTBITFGHSEEEC-PBWFPOADSA-N 2 2 281.400 0.402 20 0 CCADLP COCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154250510 350579919 /nfs/dbraw/zinc/57/99/19/350579919.db2.gz NMTBITFGHSEEEC-PBWFPOADSA-N 2 2 281.400 0.402 20 0 CCADLP CN(CC[C@H]1CCC[N@@H+]1C)CC[NH+]1CCOCC1 ZINC000161821855 350729951 /nfs/dbraw/zinc/72/99/51/350729951.db2.gz AVPIRJJANNHSFE-CQSZACIVSA-N 2 2 255.406 0.735 20 0 CCADLP CN(CC[C@H]1CCC[N@H+]1C)CC[NH+]1CCOCC1 ZINC000161821855 350729954 /nfs/dbraw/zinc/72/99/54/350729954.db2.gz AVPIRJJANNHSFE-CQSZACIVSA-N 2 2 255.406 0.735 20 0 CCADLP CC[N@@H+]1CCc2nc(NC(=O)[C@H]3C[NH2+]CCO3)sc2C1 ZINC000163447511 350766355 /nfs/dbraw/zinc/76/63/55/350766355.db2.gz CAGPLBAHSNEFLI-SNVBAGLBSA-N 2 2 296.396 0.448 20 0 CCADLP CC[N@H+]1CCc2nc(NC(=O)[C@H]3C[NH2+]CCO3)sc2C1 ZINC000163447511 350766359 /nfs/dbraw/zinc/76/63/59/350766359.db2.gz CAGPLBAHSNEFLI-SNVBAGLBSA-N 2 2 296.396 0.448 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000164003480 350776075 /nfs/dbraw/zinc/77/60/75/350776075.db2.gz MUKYWCQGBWUXOQ-HNNXBMFYSA-N 2 2 291.395 0.347 20 0 CCADLP O=C(C[NH2+]CC1CC1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000167320471 350808932 /nfs/dbraw/zinc/80/89/32/350808932.db2.gz ZKZRMUUPCRARTE-OAHLLOKOSA-N 2 2 295.427 0.699 20 0 CCADLP Cc1cccn2cc(CNC(=O)[C@H]3CC[NH2+]C3)[nH+]c12 ZINC000168496316 350827460 /nfs/dbraw/zinc/82/74/60/350827460.db2.gz WMXXMKNBVVXOEG-NSHDSACASA-N 2 2 258.325 0.868 20 0 CCADLP CCCCNC(=O)[C@@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000173644086 351048564 /nfs/dbraw/zinc/04/85/64/351048564.db2.gz IHAKODMDJVXWKP-CYBMUJFWSA-N 2 2 285.432 0.992 20 0 CCADLP C[C@H]1C[C@@H](N(C)C(=O)NCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000173891688 351059820 /nfs/dbraw/zinc/05/98/20/351059820.db2.gz QGGLTOCSILOOJS-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H]1C[C@@H](N(C)C(=O)NCC[NH+]2CCOCC2)CC[N@H+]1C ZINC000173891688 351059822 /nfs/dbraw/zinc/05/98/22/351059822.db2.gz QGGLTOCSILOOJS-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCOCC2)C1 ZINC000173903477 351061099 /nfs/dbraw/zinc/06/10/99/351061099.db2.gz KNICBVDSROPIBI-CYBMUJFWSA-N 2 2 269.389 0.119 20 0 CCADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCOCC2)C1 ZINC000173903477 351061101 /nfs/dbraw/zinc/06/11/01/351061101.db2.gz KNICBVDSROPIBI-CYBMUJFWSA-N 2 2 269.389 0.119 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000173903477 351061107 /nfs/dbraw/zinc/06/11/07/351061107.db2.gz KNICBVDSROPIBI-CYBMUJFWSA-N 2 2 269.389 0.119 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000173903477 351061111 /nfs/dbraw/zinc/06/11/11/351061111.db2.gz KNICBVDSROPIBI-CYBMUJFWSA-N 2 2 269.389 0.119 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)NC(=O)NC)C1 ZINC000174219355 351075947 /nfs/dbraw/zinc/07/59/47/351075947.db2.gz DOBOWUVFUSKGRV-LLVKDONJSA-N 2 2 270.377 0.106 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)NC(=O)NC)C1 ZINC000174219355 351075950 /nfs/dbraw/zinc/07/59/50/351075950.db2.gz DOBOWUVFUSKGRV-LLVKDONJSA-N 2 2 270.377 0.106 20 0 CCADLP Cn1ccc(N2CCC[C@@H]([NH2+]Cc3c[nH+]cn3C)C2=O)n1 ZINC000174588783 351093587 /nfs/dbraw/zinc/09/35/87/351093587.db2.gz TVPLTUIFEIIIED-GFCCVEGCSA-N 2 2 288.355 0.439 20 0 CCADLP COC(=O)CCC[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000176974612 351189846 /nfs/dbraw/zinc/18/98/46/351189846.db2.gz RSTPZDKMZBYZRH-UHFFFAOYSA-N 2 2 278.356 0.860 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)CN1CCOCC1 ZINC000175591437 351135733 /nfs/dbraw/zinc/13/57/33/351135733.db2.gz GIPKVBYPKSJJFO-OWCLPIDISA-N 2 2 297.443 0.238 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)CN1CCOCC1 ZINC000175591437 351135738 /nfs/dbraw/zinc/13/57/38/351135738.db2.gz GIPKVBYPKSJJFO-OWCLPIDISA-N 2 2 297.443 0.238 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)CN1CCOCC1 ZINC000175591437 351135741 /nfs/dbraw/zinc/13/57/41/351135741.db2.gz GIPKVBYPKSJJFO-OWCLPIDISA-N 2 2 297.443 0.238 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)CN1CCOCC1 ZINC000175591437 351135745 /nfs/dbraw/zinc/13/57/45/351135745.db2.gz GIPKVBYPKSJJFO-OWCLPIDISA-N 2 2 297.443 0.238 20 0 CCADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000178744854 351243805 /nfs/dbraw/zinc/24/38/05/351243805.db2.gz DTMMVJCHFXXQCI-VXGBXAGGSA-N 2 2 271.405 0.587 20 0 CCADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000178744854 351243807 /nfs/dbraw/zinc/24/38/07/351243807.db2.gz DTMMVJCHFXXQCI-VXGBXAGGSA-N 2 2 271.405 0.587 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)[C@@H]2CSC[NH2+]2)C[N@@H+]1C1CC1 ZINC000178867523 351250769 /nfs/dbraw/zinc/25/07/69/351250769.db2.gz DHPXBLOIYBFSIC-YWVKMMECSA-N 2 2 255.387 0.390 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)[C@@H]2CSC[NH2+]2)C[N@H+]1C1CC1 ZINC000178867523 351250773 /nfs/dbraw/zinc/25/07/73/351250773.db2.gz DHPXBLOIYBFSIC-YWVKMMECSA-N 2 2 255.387 0.390 20 0 CCADLP C[C@H]1CC[C@@H]([NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000178905784 351252480 /nfs/dbraw/zinc/25/24/80/351252480.db2.gz XXXXJLJWJOJMIB-RRFJBIMHSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C(C)(C)C ZINC000181027885 351299355 /nfs/dbraw/zinc/29/93/55/351299355.db2.gz LSQIZAWQLUKPKV-KBPBESRZSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H](CC1CC1)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181046860 351300894 /nfs/dbraw/zinc/30/08/94/351300894.db2.gz UAOIXWTZIDQTSG-DZGCQCFKSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCCC[C@@H]1O ZINC000181465315 351321193 /nfs/dbraw/zinc/32/11/93/351321193.db2.gz SKDXNJPSQPRRNC-KGLIPLIRSA-N 2 2 283.416 0.243 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCCC[C@@H]1O ZINC000181465315 351321195 /nfs/dbraw/zinc/32/11/95/351321195.db2.gz SKDXNJPSQPRRNC-KGLIPLIRSA-N 2 2 283.416 0.243 20 0 CCADLP CC1(C)C[N@H+](CCNc2cc[nH+]cc2C(N)=O)CCO1 ZINC000184103511 351402638 /nfs/dbraw/zinc/40/26/38/351402638.db2.gz RXNMGRUWEWLGHZ-UHFFFAOYSA-N 2 2 278.356 0.703 20 0 CCADLP CC1(C)C[N@@H+](CCNc2cc[nH+]cc2C(N)=O)CCO1 ZINC000184103511 351402641 /nfs/dbraw/zinc/40/26/41/351402641.db2.gz RXNMGRUWEWLGHZ-UHFFFAOYSA-N 2 2 278.356 0.703 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000339815740 215347812 /nfs/dbraw/zinc/34/78/12/215347812.db2.gz WGJFSVDBENQZLI-RYUDHWBXSA-N 2 2 257.378 0.164 20 0 CCADLP FC(F)COCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000189415583 351676829 /nfs/dbraw/zinc/67/68/29/351676829.db2.gz SIIZWYKTVBWSOC-LBPRGKRZSA-N 2 2 278.343 0.922 20 0 CCADLP FC(F)COCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000189415583 351676831 /nfs/dbraw/zinc/67/68/31/351676831.db2.gz SIIZWYKTVBWSOC-LBPRGKRZSA-N 2 2 278.343 0.922 20 0 CCADLP CCC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000190282632 351717707 /nfs/dbraw/zinc/71/77/07/351717707.db2.gz ULJYGXZXBNQERP-CQSZACIVSA-N 2 2 281.400 0.594 20 0 CCADLP CCC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000190282632 351717710 /nfs/dbraw/zinc/71/77/10/351717710.db2.gz ULJYGXZXBNQERP-CQSZACIVSA-N 2 2 281.400 0.594 20 0 CCADLP C[C@@H](C(=O)NCC[N@@H+]1CCOCC1(C)C)[C@H](C)[NH3+] ZINC000192109495 351783639 /nfs/dbraw/zinc/78/36/39/351783639.db2.gz JEXOZRKYIJBJEJ-MNOVXSKESA-N 2 2 257.378 0.197 20 0 CCADLP C[C@@H](C(=O)NCC[N@H+]1CCOCC1(C)C)[C@H](C)[NH3+] ZINC000192109495 351783643 /nfs/dbraw/zinc/78/36/43/351783643.db2.gz JEXOZRKYIJBJEJ-MNOVXSKESA-N 2 2 257.378 0.197 20 0 CCADLP Cc1cc(NC(=O)CC[N@@H+]2CCC[C@H]2C[NH3+])no1 ZINC000123416214 187090924 /nfs/dbraw/zinc/09/09/24/187090924.db2.gz GLTXOAAGGFTXLX-JTQLQIEISA-N 2 2 252.318 0.735 20 0 CCADLP Cc1cc(NC(=O)CC[N@H+]2CCC[C@H]2C[NH3+])no1 ZINC000123416214 187090925 /nfs/dbraw/zinc/09/09/25/187090925.db2.gz GLTXOAAGGFTXLX-JTQLQIEISA-N 2 2 252.318 0.735 20 0 CCADLP C[C@@H](CNC(=O)c1csc(CC[NH3+])n1)Cn1cc[nH+]c1 ZINC000194829923 351887506 /nfs/dbraw/zinc/88/75/06/351887506.db2.gz JDJVACRQSMALMM-JTQLQIEISA-N 2 2 293.396 0.907 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000221291446 351978263 /nfs/dbraw/zinc/97/82/63/351978263.db2.gz IPUFBFRPNGUYDS-XQQFMLRXSA-N 2 2 269.389 0.164 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000221291446 351978266 /nfs/dbraw/zinc/97/82/66/351978266.db2.gz IPUFBFRPNGUYDS-XQQFMLRXSA-N 2 2 269.389 0.164 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cc(O)cc(F)c1 ZINC000223550929 351987732 /nfs/dbraw/zinc/98/77/32/351987732.db2.gz CRIGGFDRFZBBOP-UHFFFAOYSA-N 2 2 281.331 0.395 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cc(O)cc(F)c1 ZINC000223550929 351987734 /nfs/dbraw/zinc/98/77/34/351987734.db2.gz CRIGGFDRFZBBOP-UHFFFAOYSA-N 2 2 281.331 0.395 20 0 CCADLP CC(C)NC(=O)CC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000228332287 352073583 /nfs/dbraw/zinc/07/35/83/352073583.db2.gz AROXKQABOBFJKP-UHFFFAOYSA-N 2 2 267.377 0.490 20 0 CCADLP COCc1cccc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000226610388 352030378 /nfs/dbraw/zinc/03/03/78/352030378.db2.gz CMVFPINKYHKSKC-HNNXBMFYSA-N 2 2 263.385 0.908 20 0 CCADLP COCc1cccc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000226610388 352030380 /nfs/dbraw/zinc/03/03/80/352030380.db2.gz CMVFPINKYHKSKC-HNNXBMFYSA-N 2 2 263.385 0.908 20 0 CCADLP CCOC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000233725099 352151874 /nfs/dbraw/zinc/15/18/74/352151874.db2.gz QPAOLESNLMPUDS-CYBMUJFWSA-N 2 2 271.405 0.411 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000236691553 352206489 /nfs/dbraw/zinc/20/64/89/352206489.db2.gz HIGGCZLMWKYHGJ-NEPJUHHUSA-N 2 2 257.378 0.197 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CSC[NH2+]1 ZINC000237068040 352240993 /nfs/dbraw/zinc/24/09/93/352240993.db2.gz PIIWHDKBBVEXMI-GHMZBOCLSA-N 2 2 257.403 0.640 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CSC[NH2+]1 ZINC000237068040 352240998 /nfs/dbraw/zinc/24/09/98/352240998.db2.gz PIIWHDKBBVEXMI-GHMZBOCLSA-N 2 2 257.403 0.640 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1COCC[NH2+]1)[N@@H+]1CCC[C@@H](C)C1 ZINC000237560950 352272276 /nfs/dbraw/zinc/27/22/76/352272276.db2.gz AHJJMRZOVKFEBH-AGIUHOORSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1COCC[NH2+]1)[N@H+]1CCC[C@@H](C)C1 ZINC000237560950 352272280 /nfs/dbraw/zinc/27/22/80/352272280.db2.gz AHJJMRZOVKFEBH-AGIUHOORSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]([NH3+])C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000237695648 352279882 /nfs/dbraw/zinc/27/98/82/352279882.db2.gz VDQVECKCURISNT-SDDRHHMPSA-N 2 2 292.383 0.659 20 0 CCADLP O=C(C[NH2+]C1CC1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000238166527 352300987 /nfs/dbraw/zinc/30/09/87/352300987.db2.gz KCWGSGZBPKJVNU-AWEZNQCLSA-N 2 2 299.440 0.063 20 0 CCADLP C[C@H]1CCN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000604208708 363183247 /nfs/dbraw/zinc/18/32/47/363183247.db2.gz LKNPVHZRIBCVLE-STQMWFEESA-N 2 2 280.416 0.959 20 0 CCADLP C[C@H]1CCN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000604208708 363183252 /nfs/dbraw/zinc/18/32/52/363183252.db2.gz LKNPVHZRIBCVLE-STQMWFEESA-N 2 2 280.416 0.959 20 0 CCADLP CC[C@H](C)[C@@H](C)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000246477354 352369055 /nfs/dbraw/zinc/36/90/55/352369055.db2.gz RACUZVNJKSKARS-ZNMIVQPWSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000248976990 352470811 /nfs/dbraw/zinc/47/08/11/352470811.db2.gz FBCAKYAOYNXGAO-AVGNSLFASA-N 2 2 269.389 0.293 20 0 CCADLP CC[C@H](O)C[NH+]1CCN(CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000249051800 352474157 /nfs/dbraw/zinc/47/41/57/352474157.db2.gz OHZGDJPIDDCXII-CABCVRRESA-N 2 2 285.432 0.096 20 0 CCADLP CC[C@H](O)C[NH+]1CCN(CC[N@H+]2CCOC[C@H]2C)CC1 ZINC000249051800 352474161 /nfs/dbraw/zinc/47/41/61/352474161.db2.gz OHZGDJPIDDCXII-CABCVRRESA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(CC[NH+]2CCOC[C@@H]2C)C[C@@H]1C ZINC000249085130 352476905 /nfs/dbraw/zinc/47/69/05/352476905.db2.gz TUUOMAMOZCLPSL-KKUMJFAQSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(CC[NH+]2CCOC[C@@H]2C)C[C@@H]1C ZINC000249085130 352476908 /nfs/dbraw/zinc/47/69/08/352476908.db2.gz TUUOMAMOZCLPSL-KKUMJFAQSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@H](O)C[NH+]1CCN(CC[N@H+]2CCOC[C@@H]2C)C[C@@H]1C ZINC000249085130 352476912 /nfs/dbraw/zinc/47/69/12/352476912.db2.gz TUUOMAMOZCLPSL-KKUMJFAQSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261601770 352562326 /nfs/dbraw/zinc/56/23/26/352562326.db2.gz AIOQOOHXPTWYNC-IINYFYTJSA-N 2 2 284.404 0.670 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261601770 352562329 /nfs/dbraw/zinc/56/23/29/352562329.db2.gz AIOQOOHXPTWYNC-IINYFYTJSA-N 2 2 284.404 0.670 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261601769 352562543 /nfs/dbraw/zinc/56/25/43/352562543.db2.gz AIOQOOHXPTWYNC-HZMBPMFUSA-N 2 2 284.404 0.670 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261601769 352562546 /nfs/dbraw/zinc/56/25/46/352562546.db2.gz AIOQOOHXPTWYNC-HZMBPMFUSA-N 2 2 284.404 0.670 20 0 CCADLP CCN(CC)C(=O)[C@H](C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261719425 352563551 /nfs/dbraw/zinc/56/35/51/352563551.db2.gz KBELXUOTRLVBKP-UONOGXRCSA-N 2 2 282.432 0.223 20 0 CCADLP CS(=O)(=O)[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000261781668 352564724 /nfs/dbraw/zinc/56/47/24/352564724.db2.gz NWLCWTYNEYRFCA-STQMWFEESA-N 2 2 274.430 0.885 20 0 CCADLP CS(=O)(=O)[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000261781668 352564725 /nfs/dbraw/zinc/56/47/25/352564725.db2.gz NWLCWTYNEYRFCA-STQMWFEESA-N 2 2 274.430 0.885 20 0 CCADLP COCCN1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)CC1=O ZINC000261915731 352565145 /nfs/dbraw/zinc/56/51/45/352565145.db2.gz JWTXJONTKDOTDR-CYBMUJFWSA-N 2 2 269.389 0.167 20 0 CCADLP COCCN1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC1=O ZINC000261915731 352565148 /nfs/dbraw/zinc/56/51/48/352565148.db2.gz JWTXJONTKDOTDR-CYBMUJFWSA-N 2 2 269.389 0.167 20 0 CCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1nccs1 ZINC000262100136 352577605 /nfs/dbraw/zinc/57/76/05/352577605.db2.gz VMUDHCUPUCNGTG-LLVKDONJSA-N 2 2 282.413 0.963 20 0 CCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1nccs1 ZINC000262100136 352577607 /nfs/dbraw/zinc/57/76/07/352577607.db2.gz VMUDHCUPUCNGTG-LLVKDONJSA-N 2 2 282.413 0.963 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C[C@@]1(C)CC[NH2+]C1 ZINC000262120406 352580101 /nfs/dbraw/zinc/58/01/01/352580101.db2.gz XFTDLWSZZUBRQB-KGLIPLIRSA-N 2 2 255.406 0.639 20 0 CCADLP [NH3+]Cc1nc(CN2CC[C@@H](CNc3cccc[nH+]3)C2)no1 ZINC000262138259 352582435 /nfs/dbraw/zinc/58/24/35/352582435.db2.gz DRLHHXUOAJTFQF-NSHDSACASA-N 2 2 288.355 0.857 20 0 CCADLP CCCNC(=O)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604389464 363192307 /nfs/dbraw/zinc/19/23/07/363192307.db2.gz SLCBRZPRAWZSKD-AWEZNQCLSA-N 2 2 282.432 0.224 20 0 CCADLP CCCNC(=O)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604389464 363192309 /nfs/dbraw/zinc/19/23/09/363192309.db2.gz SLCBRZPRAWZSKD-AWEZNQCLSA-N 2 2 282.432 0.224 20 0 CCADLP C[C@H](CNC(=O)C1CC[NH+](C)CC1)Cn1cc[nH+]c1 ZINC000267167917 352748992 /nfs/dbraw/zinc/74/89/92/352748992.db2.gz UABCBLCBEIWWTJ-GFCCVEGCSA-N 2 2 264.373 0.977 20 0 CCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2[nH+]ccn2C)C1 ZINC000267279180 352756139 /nfs/dbraw/zinc/75/61/39/352756139.db2.gz HJAJYSHVFWYZCM-LBPRGKRZSA-N 2 2 279.388 0.903 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2[nH+]ccn2C)C1 ZINC000267279180 352756145 /nfs/dbraw/zinc/75/61/45/352756145.db2.gz HJAJYSHVFWYZCM-LBPRGKRZSA-N 2 2 279.388 0.903 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000268229076 352818582 /nfs/dbraw/zinc/81/85/82/352818582.db2.gz YCXCJURAEMVNQV-DGCLKSJQSA-N 2 2 277.372 0.665 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000268229076 352818586 /nfs/dbraw/zinc/81/85/86/352818586.db2.gz YCXCJURAEMVNQV-DGCLKSJQSA-N 2 2 277.372 0.665 20 0 CCADLP C[C@H]([NH3+])[C@H](C)NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000418712559 234212570 /nfs/dbraw/zinc/21/25/70/234212570.db2.gz XKQPPJDLXVFQNB-AVGNSLFASA-N 2 2 284.404 0.228 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2ccncc2)CC1 ZINC000272436655 353064547 /nfs/dbraw/zinc/06/45/47/353064547.db2.gz TXECSKZWKCDDFB-UHFFFAOYSA-N 2 2 290.411 0.766 20 0 CCADLP CC(C)([NH3+])C[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000346843971 535196769 /nfs/dbraw/zinc/19/67/69/535196769.db2.gz KKFWBVIOEOTFGP-UHFFFAOYSA-N 2 2 266.389 0.792 20 0 CCADLP Cc1nc(N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)cc[nH+]1 ZINC000418998305 234281435 /nfs/dbraw/zinc/28/14/35/234281435.db2.gz HMHZXPKJBLXSIV-MNOVXSKESA-N 2 2 250.346 0.676 20 0 CCADLP Cc1nc(N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)cc[nH+]1 ZINC000418998305 234281439 /nfs/dbraw/zinc/28/14/39/234281439.db2.gz HMHZXPKJBLXSIV-MNOVXSKESA-N 2 2 250.346 0.676 20 0 CCADLP CCOC(=O)c1nn(C)cc1C[NH2+]CCn1cc[nH+]c1C ZINC000274490962 353134164 /nfs/dbraw/zinc/13/41/64/353134164.db2.gz OYVMBIDXWCKLJK-UHFFFAOYSA-N 2 2 291.355 0.892 20 0 CCADLP COc1cc[nH+]c(CN2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000275067146 353183258 /nfs/dbraw/zinc/18/32/58/353183258.db2.gz SZHFLNXIHALKHU-LBPRGKRZSA-N 2 2 265.357 0.589 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000154762822 188160893 /nfs/dbraw/zinc/16/08/93/188160893.db2.gz ZNBCTRRUJJAQTL-UHFFFAOYSA-N 2 2 280.328 0.049 20 0 CCADLP C[C@@H](CN1CC[NH+](C)CC1)Nc1nc[nH+]c(N)c1Cl ZINC000277665390 353257422 /nfs/dbraw/zinc/25/74/22/353257422.db2.gz ZNPHMXOIBBTNCX-VIFPVBQESA-N 2 2 284.795 0.760 20 0 CCADLP Cc1ccc2[nH+]cc(C[NH2+]CCCNS(C)(=O)=O)n2c1 ZINC000155725190 188224025 /nfs/dbraw/zinc/22/40/25/188224025.db2.gz DVNAUVPQJFHTTD-UHFFFAOYSA-N 2 2 296.396 0.672 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156538122 188267413 /nfs/dbraw/zinc/26/74/13/188267413.db2.gz RUZVLUWNCQIGJA-VWYCJHECSA-N 2 2 279.344 0.349 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156538122 188267414 /nfs/dbraw/zinc/26/74/14/188267414.db2.gz RUZVLUWNCQIGJA-VWYCJHECSA-N 2 2 279.344 0.349 20 0 CCADLP Cc1[nH+]cc(C[NH+]2C[C@H](O)[C@@H](O)C2)n1-c1ccccc1 ZINC000278380581 353296528 /nfs/dbraw/zinc/29/65/28/353296528.db2.gz LPZWMEPENGURBE-GJZGRUSLSA-N 2 2 273.336 0.718 20 0 CCADLP COC(=O)C[C@@H]1C[N@H+](CCn2cc[nH+]c2C)CCO1 ZINC000157248153 188305560 /nfs/dbraw/zinc/30/55/60/188305560.db2.gz YIFULWYUEMXLEZ-GFCCVEGCSA-N 2 2 267.329 0.455 20 0 CCADLP COC(=O)C[C@@H]1C[N@@H+](CCn2cc[nH+]c2C)CCO1 ZINC000157248153 188305562 /nfs/dbraw/zinc/30/55/62/188305562.db2.gz YIFULWYUEMXLEZ-GFCCVEGCSA-N 2 2 267.329 0.455 20 0 CCADLP CCOC(=O)c1c[nH+]ccc1NCCN1CC[NH+](C)CC1 ZINC000280118832 353339607 /nfs/dbraw/zinc/33/96/07/353339607.db2.gz WMFJATFLJSPEJA-UHFFFAOYSA-N 2 2 292.383 0.918 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280688077 353376184 /nfs/dbraw/zinc/37/61/84/353376184.db2.gz AWSBVHWXUHHORE-OUCADQQQSA-N 2 2 262.357 0.778 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000283235763 353493060 /nfs/dbraw/zinc/49/30/60/353493060.db2.gz TWKMEHXTCASDMI-BLDJZWNYSA-N 2 2 278.356 0.336 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000283235763 353493065 /nfs/dbraw/zinc/49/30/65/353493065.db2.gz TWKMEHXTCASDMI-BLDJZWNYSA-N 2 2 278.356 0.336 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000283715300 353525207 /nfs/dbraw/zinc/52/52/07/353525207.db2.gz ZXCBKUQQGZZDTE-CQSZACIVSA-N 2 2 292.383 0.454 20 0 CCADLP C[C@@]1(C[NH3+])CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000655460332 412580253 /nfs/dbraw/zinc/58/02/53/412580253.db2.gz KZPKBSKWDVAJRE-FZMZJTMJSA-N 2 2 262.357 0.643 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCCCC[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000364466642 299205941 /nfs/dbraw/zinc/20/59/41/299205941.db2.gz MAFAQUKEBFUEBX-IHRRRGAJSA-N 2 2 283.416 0.744 20 0 CCADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Cn1cc[nH+]c1 ZINC000286613995 353600271 /nfs/dbraw/zinc/60/02/71/353600271.db2.gz AAKUTDRMMWUKKZ-OLZOCXBDSA-N 2 2 262.357 0.968 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655460139 412581228 /nfs/dbraw/zinc/58/12/28/412581228.db2.gz WJGCNPCHBSKHCQ-GHMZBOCLSA-N 2 2 250.346 0.560 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@@H](CO)c1ccccc1)C1CC1 ZINC000289374102 353687665 /nfs/dbraw/zinc/68/76/65/353687665.db2.gz OTQLCILQHSFNPB-CABCVRRESA-N 2 2 264.369 0.765 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H](CO)c1ccccc1)C1CC1 ZINC000289374102 353687666 /nfs/dbraw/zinc/68/76/66/353687666.db2.gz OTQLCILQHSFNPB-CABCVRRESA-N 2 2 264.369 0.765 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)C23CCC[NH+]2CCC3)n1C ZINC000291178355 353772289 /nfs/dbraw/zinc/77/22/89/353772289.db2.gz DYGNNXKQUNPADO-UHFFFAOYSA-N 2 2 291.399 0.731 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000298683294 353963989 /nfs/dbraw/zinc/96/39/89/353963989.db2.gz ZPFAGUOMQXFDOY-UHFFFAOYSA-N 2 2 265.361 0.619 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[N@H+](C)CC1 ZINC000298698729 353964568 /nfs/dbraw/zinc/96/45/68/353964568.db2.gz UJCHGEYVSGNRSL-GFCCVEGCSA-N 2 2 265.361 0.619 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[N@@H+](C)CC1 ZINC000298698729 353964571 /nfs/dbraw/zinc/96/45/71/353964571.db2.gz UJCHGEYVSGNRSL-GFCCVEGCSA-N 2 2 265.361 0.619 20 0 CCADLP C[C@H](C[NH2+]C[C@@H]1CNc2ccnn2C1)C[NH+]1CCOCC1 ZINC000606472495 363291141 /nfs/dbraw/zinc/29/11/41/363291141.db2.gz JQVHLJVJSQZREP-ZIAGYGMSSA-N 2 2 293.415 0.483 20 0 CCADLP C[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C[NH3+] ZINC000655478329 412586599 /nfs/dbraw/zinc/58/65/99/412586599.db2.gz QVHVDJCBIIQGDY-FRRDWIJNSA-N 2 2 276.384 0.889 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000305160408 354134732 /nfs/dbraw/zinc/13/47/32/354134732.db2.gz WUZPFAZZORKQTI-MRXNPFEDSA-N 2 2 292.427 0.558 20 0 CCADLP C[N@H+](CCO)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000303106815 354095709 /nfs/dbraw/zinc/09/57/09/354095709.db2.gz FQNOBTUJSLFYNV-UHFFFAOYSA-N 2 2 297.424 0.316 20 0 CCADLP C[N@@H+](CCO)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000303106815 354095710 /nfs/dbraw/zinc/09/57/10/354095710.db2.gz FQNOBTUJSLFYNV-UHFFFAOYSA-N 2 2 297.424 0.316 20 0 CCADLP Cc1[nH+]ccn1C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000305350745 354143905 /nfs/dbraw/zinc/14/39/05/354143905.db2.gz WEQCHWALZXROBX-GMXVVIOVSA-N 2 2 253.346 0.662 20 0 CCADLP C[C@H](CC(N)=O)[NH2+]C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000305766833 354161042 /nfs/dbraw/zinc/16/10/42/354161042.db2.gz GTYGYGWFKAWRLU-BPLDGKMQSA-N 2 2 291.395 0.475 20 0 CCADLP C[C@H](CC(N)=O)[NH2+]C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000305766833 354161043 /nfs/dbraw/zinc/16/10/43/354161043.db2.gz GTYGYGWFKAWRLU-BPLDGKMQSA-N 2 2 291.395 0.475 20 0 CCADLP c1cn(-c2cc(N3C[C@H]4C[NH2+]C[C@@H]4C3)ncn2)c[nH+]1 ZINC000607143916 363340048 /nfs/dbraw/zinc/34/00/48/363340048.db2.gz QCRSBDXKBGXVGV-GHMZBOCLSA-N 2 2 256.313 0.318 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(c2nc(N)ns2)CC1 ZINC000328686999 202014120 /nfs/dbraw/zinc/01/41/20/202014120.db2.gz YSQQRBQMBDYMLJ-NSHDSACASA-N 2 2 296.444 0.557 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(c2nc(N)ns2)CC1 ZINC000328686999 202014125 /nfs/dbraw/zinc/01/41/25/202014125.db2.gz YSQQRBQMBDYMLJ-NSHDSACASA-N 2 2 296.444 0.557 20 0 CCADLP CC[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)CCOC)CCS1 ZINC000311102152 354196854 /nfs/dbraw/zinc/19/68/54/354196854.db2.gz CKXJBDYLNZGMEY-CHWSQXEVSA-N 2 2 276.446 0.753 20 0 CCADLP CC[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)CCOC)CCS1 ZINC000311102152 354196857 /nfs/dbraw/zinc/19/68/57/354196857.db2.gz CKXJBDYLNZGMEY-CHWSQXEVSA-N 2 2 276.446 0.753 20 0 CCADLP CC[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)CCOC)CCS1 ZINC000311102152 354196859 /nfs/dbraw/zinc/19/68/59/354196859.db2.gz CKXJBDYLNZGMEY-CHWSQXEVSA-N 2 2 276.446 0.753 20 0 CCADLP CC[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)CCOC)CCS1 ZINC000311102152 354196863 /nfs/dbraw/zinc/19/68/63/354196863.db2.gz CKXJBDYLNZGMEY-CHWSQXEVSA-N 2 2 276.446 0.753 20 0 CCADLP c1cn(-c2cc(N3C[C@H]4C[NH2+]C[C@H]4C3)ncn2)c[nH+]1 ZINC000607143923 363340017 /nfs/dbraw/zinc/34/00/17/363340017.db2.gz QCRSBDXKBGXVGV-PHIMTYICSA-N 2 2 256.313 0.318 20 0 CCADLP CCCN(C(=O)N[C@H](C)C[NH+]1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000557115967 291022691 /nfs/dbraw/zinc/02/26/91/291022691.db2.gz FZHZZPOSAQCLCV-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000330365518 354328400 /nfs/dbraw/zinc/32/84/00/354328400.db2.gz DJMOGIPNHWCRSB-CYBMUJFWSA-N 2 2 299.396 0.474 20 0 CCADLP CCS(=O)(=O)NCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000330365518 354328402 /nfs/dbraw/zinc/32/84/02/354328402.db2.gz DJMOGIPNHWCRSB-CYBMUJFWSA-N 2 2 299.396 0.474 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)C[C@@H]1C ZINC000423891624 291026438 /nfs/dbraw/zinc/02/64/38/291026438.db2.gz JSSNPNBQSNBIIL-WCQYABFASA-N 2 2 299.415 0.456 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)C[C@@H]1C ZINC000423891624 291026441 /nfs/dbraw/zinc/02/64/41/291026441.db2.gz JSSNPNBQSNBIIL-WCQYABFASA-N 2 2 299.415 0.456 20 0 CCADLP CC[N@@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000330394785 354342811 /nfs/dbraw/zinc/34/28/11/354342811.db2.gz MHKHOAJHCHWSSG-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP CC[N@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000330394785 354342812 /nfs/dbraw/zinc/34/28/12/354342812.db2.gz MHKHOAJHCHWSSG-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP CC(=O)NC[C@H]1C[N@H+](CCCn2cc[nH+]c2C)CCO1 ZINC000330509071 354386214 /nfs/dbraw/zinc/38/62/14/354386214.db2.gz COTPOEJFRVXIIS-AWEZNQCLSA-N 2 2 280.372 0.419 20 0 CCADLP CC(=O)NC[C@H]1C[N@@H+](CCCn2cc[nH+]c2C)CCO1 ZINC000330509071 354386219 /nfs/dbraw/zinc/38/62/19/354386219.db2.gz COTPOEJFRVXIIS-AWEZNQCLSA-N 2 2 280.372 0.419 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1[nH+]ccn1C ZINC000330554923 354409745 /nfs/dbraw/zinc/40/97/45/354409745.db2.gz YYJKPPPCHRJDIK-LLVKDONJSA-N 2 2 250.346 0.911 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCc1[nH+]ccn1C ZINC000330554923 354409747 /nfs/dbraw/zinc/40/97/47/354409747.db2.gz YYJKPPPCHRJDIK-LLVKDONJSA-N 2 2 250.346 0.911 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1[NH2+]CC1(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488356 412591008 /nfs/dbraw/zinc/59/10/08/412591008.db2.gz XJTMYQHVTNOPPP-NDBYEHHHSA-N 2 2 283.416 0.598 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1[NH2+]CC1(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488356 412591011 /nfs/dbraw/zinc/59/10/11/412591011.db2.gz XJTMYQHVTNOPPP-NDBYEHHHSA-N 2 2 283.416 0.598 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000252545430 283024301 /nfs/dbraw/zinc/02/43/01/283024301.db2.gz JJHHXXDFPSMUGG-DGAVXFQQSA-N 2 2 281.400 0.354 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000252545430 283024302 /nfs/dbraw/zinc/02/43/02/283024302.db2.gz JJHHXXDFPSMUGG-DGAVXFQQSA-N 2 2 281.400 0.354 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000331310949 354529018 /nfs/dbraw/zinc/52/90/18/354529018.db2.gz UXFHBVOKBJLSRI-NEPJUHHUSA-N 2 2 264.373 0.902 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C[C@@H]1C ZINC000331339207 354541897 /nfs/dbraw/zinc/54/18/97/354541897.db2.gz RQQPMFKOIZVJGV-STQMWFEESA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C[C@@H]1C ZINC000331339207 354541902 /nfs/dbraw/zinc/54/19/02/354541902.db2.gz RQQPMFKOIZVJGV-STQMWFEESA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1C ZINC000331339207 354541907 /nfs/dbraw/zinc/54/19/07/354541907.db2.gz RQQPMFKOIZVJGV-STQMWFEESA-N 2 2 297.399 0.176 20 0 CCADLP COC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1C ZINC000331339207 354541912 /nfs/dbraw/zinc/54/19/12/354541912.db2.gz RQQPMFKOIZVJGV-STQMWFEESA-N 2 2 297.399 0.176 20 0 CCADLP Cc1nccnc1[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000331340545 354542986 /nfs/dbraw/zinc/54/29/86/354542986.db2.gz MYXIFOWYAAYWDN-YPMHNXCESA-N 2 2 250.346 0.502 20 0 CCADLP Cc1nccnc1[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000331340545 354542989 /nfs/dbraw/zinc/54/29/89/354542989.db2.gz MYXIFOWYAAYWDN-YPMHNXCESA-N 2 2 250.346 0.502 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCCC[NH2+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488662 412592896 /nfs/dbraw/zinc/59/28/96/412592896.db2.gz DSVZWEZQVYUIOT-MQYQWHSLSA-N 2 2 283.416 0.742 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCCC[NH2+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488662 412592900 /nfs/dbraw/zinc/59/29/00/412592900.db2.gz DSVZWEZQVYUIOT-MQYQWHSLSA-N 2 2 283.416 0.742 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000331546761 354604061 /nfs/dbraw/zinc/60/40/61/354604061.db2.gz FKIGABDVNHCDJX-DOMZBBRYSA-N 2 2 296.415 0.638 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000331546761 354604063 /nfs/dbraw/zinc/60/40/63/354604063.db2.gz FKIGABDVNHCDJX-DOMZBBRYSA-N 2 2 296.415 0.638 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000331546761 354604067 /nfs/dbraw/zinc/60/40/67/354604067.db2.gz FKIGABDVNHCDJX-DOMZBBRYSA-N 2 2 296.415 0.638 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000331546761 354604069 /nfs/dbraw/zinc/60/40/69/354604069.db2.gz FKIGABDVNHCDJX-DOMZBBRYSA-N 2 2 296.415 0.638 20 0 CCADLP Cc1cnc(CCNC(=O)[C@H]([NH3+])CC[NH+](C)C)c(C)c1 ZINC000655489203 412593611 /nfs/dbraw/zinc/59/36/11/412593611.db2.gz VQQJPCBFEFAKKN-CYBMUJFWSA-N 2 2 278.400 0.636 20 0 CCADLP C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000332394707 354660753 /nfs/dbraw/zinc/66/07/53/354660753.db2.gz OCQNXRHSMIWZBT-TZMCWYRMSA-N 2 2 291.399 0.184 20 0 CCADLP C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000332394707 354660757 /nfs/dbraw/zinc/66/07/57/354660757.db2.gz OCQNXRHSMIWZBT-TZMCWYRMSA-N 2 2 291.399 0.184 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCc3n[nH]cc3C2)CC1 ZINC000332542831 354693183 /nfs/dbraw/zinc/69/31/83/354693183.db2.gz DUVRPCOGXKECHG-UHFFFAOYSA-N 2 2 291.399 0.368 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCc3n[nH]cc3C2)CC1 ZINC000332542831 354693184 /nfs/dbraw/zinc/69/31/84/354693184.db2.gz DUVRPCOGXKECHG-UHFFFAOYSA-N 2 2 291.399 0.368 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)n1 ZINC000333768121 354790769 /nfs/dbraw/zinc/79/07/69/354790769.db2.gz DWGLZUHATGYGSZ-ZDUSSCGKSA-N 2 2 291.399 0.224 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)n1 ZINC000333768121 354790773 /nfs/dbraw/zinc/79/07/73/354790773.db2.gz DWGLZUHATGYGSZ-ZDUSSCGKSA-N 2 2 291.399 0.224 20 0 CCADLP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000333086624 354753241 /nfs/dbraw/zinc/75/32/41/354753241.db2.gz BRYIXDJTBBNMML-UONOGXRCSA-N 2 2 283.416 0.746 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC1([NH3+])CCC1 ZINC000333673171 354774176 /nfs/dbraw/zinc/77/41/76/354774176.db2.gz NLRHLARBPDMZOA-OLZOCXBDSA-N 2 2 296.415 0.372 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)NC[C@H]2CCC[NH2+]C2)CCO1 ZINC000333713077 354781424 /nfs/dbraw/zinc/78/14/24/354781424.db2.gz FRCHXJWWDQNNIT-ZDUSSCGKSA-N 2 2 298.431 0.396 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)NC[C@H]2CCC[NH2+]C2)CCO1 ZINC000333713077 354781428 /nfs/dbraw/zinc/78/14/28/354781428.db2.gz FRCHXJWWDQNNIT-ZDUSSCGKSA-N 2 2 298.431 0.396 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]cn2C)C(=O)N1c1cnn(C)c1 ZINC000608075325 363399243 /nfs/dbraw/zinc/39/92/43/363399243.db2.gz MVKKPGAZIHLIHD-ZWNOBZJWSA-N 2 2 288.355 0.437 20 0 CCADLP OC[C@@H](Cc1ccccc1)[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423045760 234921027 /nfs/dbraw/zinc/92/10/27/234921027.db2.gz CMKBARRWBVDLLI-IXDOHACOSA-N 2 2 290.407 0.947 20 0 CCADLP O=C(NCC1=CC[NH2+]CC1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000423545229 235002823 /nfs/dbraw/zinc/00/28/23/235002823.db2.gz JFYKXNQLMNCAGN-HNNXBMFYSA-N 2 2 293.411 0.523 20 0 CCADLP O=C(NCC1=CC[NH2+]CC1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000423545229 235002826 /nfs/dbraw/zinc/00/28/26/235002826.db2.gz JFYKXNQLMNCAGN-HNNXBMFYSA-N 2 2 293.411 0.523 20 0 CCADLP C[C@H](NC(=O)[C@H]([NH3+])CC(F)F)[C@H](C)[NH+]1CCOCC1 ZINC000345721784 299224649 /nfs/dbraw/zinc/22/46/49/299224649.db2.gz VWJISNFDXMKSEA-LPEHRKFASA-N 2 2 279.331 0.194 20 0 CCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@H]2CC[NH2+]2)C1 ZINC000335368497 354994750 /nfs/dbraw/zinc/99/47/50/354994750.db2.gz LWSQVHSIEYDRSY-NWDGAFQWSA-N 2 2 262.357 0.563 20 0 CCADLP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)N3CCCC3)C2)C1 ZINC000335887843 355037588 /nfs/dbraw/zinc/03/75/88/355037588.db2.gz RJSBYEVIMOJULR-CQSZACIVSA-N 2 2 251.374 0.636 20 0 CCADLP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)N3CCCC3)C2)C1 ZINC000335887843 355037594 /nfs/dbraw/zinc/03/75/94/355037594.db2.gz RJSBYEVIMOJULR-CQSZACIVSA-N 2 2 251.374 0.636 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)N3CCCC3)C2)C1 ZINC000335887843 355037596 /nfs/dbraw/zinc/03/75/96/355037596.db2.gz RJSBYEVIMOJULR-CQSZACIVSA-N 2 2 251.374 0.636 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)N3CCCC3)C2)C1 ZINC000335887843 355037602 /nfs/dbraw/zinc/03/76/02/355037602.db2.gz RJSBYEVIMOJULR-CQSZACIVSA-N 2 2 251.374 0.636 20 0 CCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@H]2C1 ZINC000352808317 283071527 /nfs/dbraw/zinc/07/15/27/283071527.db2.gz ZUYQXOBGBMHGMB-MCIONIFRSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@H]2C1 ZINC000352808317 283071531 /nfs/dbraw/zinc/07/15/31/283071531.db2.gz ZUYQXOBGBMHGMB-MCIONIFRSA-N 2 2 288.395 0.998 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H]3CCC[C@H]32)CC1 ZINC000335833313 355023674 /nfs/dbraw/zinc/02/36/74/355023674.db2.gz UWSKXXLZADNIQV-QWHCGFSZSA-N 2 2 251.374 0.635 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H]3CCC[C@H]32)CC1 ZINC000335833313 355023678 /nfs/dbraw/zinc/02/36/78/355023678.db2.gz UWSKXXLZADNIQV-QWHCGFSZSA-N 2 2 251.374 0.635 20 0 CCADLP [NH3+]C[C@H]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000423766237 235066315 /nfs/dbraw/zinc/06/63/15/235066315.db2.gz YAIBITMSVPNIDF-KWCYVHTRSA-N 2 2 281.400 0.341 20 0 CCADLP [NH3+]C[C@H]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000423766237 235066319 /nfs/dbraw/zinc/06/63/19/235066319.db2.gz YAIBITMSVPNIDF-KWCYVHTRSA-N 2 2 281.400 0.341 20 0 CCADLP C[C@]1(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CCCC[NH2+]1 ZINC000423766664 235068722 /nfs/dbraw/zinc/06/87/22/235068722.db2.gz YDBDIDYBOKPBJN-UKRRQHHQSA-N 2 2 281.400 0.498 20 0 CCADLP C[C@]1(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CCCC[NH2+]1 ZINC000423766664 235068725 /nfs/dbraw/zinc/06/87/25/235068725.db2.gz YDBDIDYBOKPBJN-UKRRQHHQSA-N 2 2 281.400 0.498 20 0 CCADLP CO[C@H](C[NH3+])C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000423813102 235089411 /nfs/dbraw/zinc/08/94/11/235089411.db2.gz DKKPENRZSDMEFQ-WCQYABFASA-N 2 2 297.424 0.927 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCCSCC2)CC1 ZINC000336614956 355123814 /nfs/dbraw/zinc/12/38/14/355123814.db2.gz UBXDNNBDSWPTLE-UHFFFAOYSA-N 2 2 257.403 0.199 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCCSCC2)CC1 ZINC000336614956 355123819 /nfs/dbraw/zinc/12/38/19/355123819.db2.gz UBXDNNBDSWPTLE-UHFFFAOYSA-N 2 2 257.403 0.199 20 0 CCADLP CO[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)CC[C@H]1C ZINC000336786891 355159650 /nfs/dbraw/zinc/15/96/50/355159650.db2.gz CYGNTLAKXVTVQU-MRVWCRGKSA-N 2 2 256.390 0.798 20 0 CCADLP CO[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)CC[C@H]1C ZINC000336786891 355159651 /nfs/dbraw/zinc/15/96/51/355159651.db2.gz CYGNTLAKXVTVQU-MRVWCRGKSA-N 2 2 256.390 0.798 20 0 CCADLP CO[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC[C@H]1C ZINC000336786891 355159652 /nfs/dbraw/zinc/15/96/52/355159652.db2.gz CYGNTLAKXVTVQU-MRVWCRGKSA-N 2 2 256.390 0.798 20 0 CCADLP CO[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC[C@H]1C ZINC000336786891 355159653 /nfs/dbraw/zinc/15/96/53/355159653.db2.gz CYGNTLAKXVTVQU-MRVWCRGKSA-N 2 2 256.390 0.798 20 0 CCADLP CC[N@H+](C)C[C@H]1CC[NH+](CCS(=O)(=O)N(C)C)C1 ZINC000336787912 355160643 /nfs/dbraw/zinc/16/06/43/355160643.db2.gz NEJNLXGKIFZTPU-GFCCVEGCSA-N 2 2 277.434 0.151 20 0 CCADLP CC[N@@H+](C)C[C@H]1CC[NH+](CCS(=O)(=O)N(C)C)C1 ZINC000336787912 355160646 /nfs/dbraw/zinc/16/06/46/355160646.db2.gz NEJNLXGKIFZTPU-GFCCVEGCSA-N 2 2 277.434 0.151 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@H+](CCS(=O)(=O)N(C)C)C1 ZINC000336787912 355160649 /nfs/dbraw/zinc/16/06/49/355160649.db2.gz NEJNLXGKIFZTPU-GFCCVEGCSA-N 2 2 277.434 0.151 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@@H+](CCS(=O)(=O)N(C)C)C1 ZINC000336787912 355160653 /nfs/dbraw/zinc/16/06/53/355160653.db2.gz NEJNLXGKIFZTPU-GFCCVEGCSA-N 2 2 277.434 0.151 20 0 CCADLP C[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H]1CCS(=O)(=O)C1 ZINC000336689478 355135610 /nfs/dbraw/zinc/13/56/10/355135610.db2.gz BRYHOEGQHISMHE-STQMWFEESA-N 2 2 274.430 0.837 20 0 CCADLP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H]1CCS(=O)(=O)C1 ZINC000336689478 355135616 /nfs/dbraw/zinc/13/56/16/355135616.db2.gz BRYHOEGQHISMHE-STQMWFEESA-N 2 2 274.430 0.837 20 0 CCADLP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@@H]1CCS(=O)(=O)C1 ZINC000336689478 355135622 /nfs/dbraw/zinc/13/56/22/355135622.db2.gz BRYHOEGQHISMHE-STQMWFEESA-N 2 2 274.430 0.837 20 0 CCADLP C[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@@H]1CCS(=O)(=O)C1 ZINC000336689478 355135626 /nfs/dbraw/zinc/13/56/26/355135626.db2.gz BRYHOEGQHISMHE-STQMWFEESA-N 2 2 274.430 0.837 20 0 CCADLP CC(C)[C@](C)(O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000336795381 355168491 /nfs/dbraw/zinc/16/84/91/355168491.db2.gz KCKHEXPYYLHVHU-CYBMUJFWSA-N 2 2 254.378 0.983 20 0 CCADLP C[C@H](C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C)[NH+]1CCOCC1 ZINC000424057232 235144622 /nfs/dbraw/zinc/14/46/22/235144622.db2.gz CKRGSYWBPHMZGV-RQJABVFESA-N 2 2 283.416 0.539 20 0 CCADLP COCCOC1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000336841735 355212340 /nfs/dbraw/zinc/21/23/40/355212340.db2.gz SFPFFSWEKHEOAV-CQSZACIVSA-N 2 2 286.416 0.569 20 0 CCADLP COCCOC1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000336841735 355212343 /nfs/dbraw/zinc/21/23/43/355212343.db2.gz SFPFFSWEKHEOAV-CQSZACIVSA-N 2 2 286.416 0.569 20 0 CCADLP C[N@H+](CCN1CCCS1(=O)=O)C[C@H]1CCC[NH+](C)C1 ZINC000336798191 355170644 /nfs/dbraw/zinc/17/06/44/355170644.db2.gz DBENSDZMSMYGHA-ZDUSSCGKSA-N 2 2 289.445 0.296 20 0 CCADLP C[N@@H+](CCN1CCCS1(=O)=O)C[C@H]1CCC[NH+](C)C1 ZINC000336798191 355170647 /nfs/dbraw/zinc/17/06/47/355170647.db2.gz DBENSDZMSMYGHA-ZDUSSCGKSA-N 2 2 289.445 0.296 20 0 CCADLP C[NH+](CCN1CCCS1(=O)=O)C[C@H]1CCC[N@H+](C)C1 ZINC000336798191 355170649 /nfs/dbraw/zinc/17/06/49/355170649.db2.gz DBENSDZMSMYGHA-ZDUSSCGKSA-N 2 2 289.445 0.296 20 0 CCADLP C[NH+](CCN1CCCS1(=O)=O)C[C@H]1CCC[N@@H+](C)C1 ZINC000336798191 355170651 /nfs/dbraw/zinc/17/06/51/355170651.db2.gz DBENSDZMSMYGHA-ZDUSSCGKSA-N 2 2 289.445 0.296 20 0 CCADLP [NH3+]C[C@H]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424174136 235168521 /nfs/dbraw/zinc/16/85/21/235168521.db2.gz FQCRYOGBOUBMSA-OUAUKWLOSA-N 2 2 275.343 0.722 20 0 CCADLP c1cc(O[C@H]2CC[N@@H+](C[C@H]3COCCO3)C2)cc[nH+]1 ZINC000336803518 355179114 /nfs/dbraw/zinc/17/91/14/355179114.db2.gz YSFSVMAYSZNVJT-KBPBESRZSA-N 2 2 264.325 0.950 20 0 CCADLP c1cc(O[C@H]2CC[N@H+](C[C@H]3COCCO3)C2)cc[nH+]1 ZINC000336803518 355179118 /nfs/dbraw/zinc/17/91/18/355179118.db2.gz YSFSVMAYSZNVJT-KBPBESRZSA-N 2 2 264.325 0.950 20 0 CCADLP Cn1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)n1 ZINC000336805041 355181662 /nfs/dbraw/zinc/18/16/62/355181662.db2.gz QWNMSFHSILYSRQ-UHFFFAOYSA-N 2 2 265.405 0.489 20 0 CCADLP Cn1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)n1 ZINC000336805041 355181665 /nfs/dbraw/zinc/18/16/65/355181665.db2.gz QWNMSFHSILYSRQ-UHFFFAOYSA-N 2 2 265.405 0.489 20 0 CCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000424186761 235173143 /nfs/dbraw/zinc/17/31/43/235173143.db2.gz HKBDAJWOGCXMTB-HOSYDEDBSA-N 2 2 273.327 0.347 20 0 CCADLP O=C(C[C@@H]1CSCC[NH2+]1)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424195323 235176481 /nfs/dbraw/zinc/17/64/81/235176481.db2.gz SRKOUAXUHAGVGF-VHSXEESVSA-N 2 2 293.383 0.443 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@](O)(C(F)(F)F)C1)C1CC1 ZINC000336830100 355204721 /nfs/dbraw/zinc/20/47/21/355204721.db2.gz BLGZIINFVFAJBQ-NEPJUHHUSA-N 2 2 296.333 0.831 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@](O)(C(F)(F)F)C1)C1CC1 ZINC000336830100 355204724 /nfs/dbraw/zinc/20/47/24/355204724.db2.gz BLGZIINFVFAJBQ-NEPJUHHUSA-N 2 2 296.333 0.831 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1)C1CC1 ZINC000336830100 355204728 /nfs/dbraw/zinc/20/47/28/355204728.db2.gz BLGZIINFVFAJBQ-NEPJUHHUSA-N 2 2 296.333 0.831 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@](O)(C(F)(F)F)C1)C1CC1 ZINC000336830100 355204731 /nfs/dbraw/zinc/20/47/31/355204731.db2.gz BLGZIINFVFAJBQ-NEPJUHHUSA-N 2 2 296.333 0.831 20 0 CCADLP C[C@@H]1CC2(C[N@@H+]1Cc1noc(C[NH3+])n1)CC[NH2+]CC2 ZINC000424289619 235194718 /nfs/dbraw/zinc/19/47/18/235194718.db2.gz MDEGJTYDWMIRNZ-SNVBAGLBSA-N 3 2 265.361 0.492 20 0 CCADLP C[C@@H]1CC2(C[N@H+]1Cc1noc(C[NH3+])n1)CC[NH2+]CC2 ZINC000424289619 235194720 /nfs/dbraw/zinc/19/47/20/235194720.db2.gz MDEGJTYDWMIRNZ-SNVBAGLBSA-N 3 2 265.361 0.492 20 0 CCADLP C[C@@H]1CC2(CN1Cc1noc(C[NH3+])n1)CC[NH2+]CC2 ZINC000424289619 235194722 /nfs/dbraw/zinc/19/47/22/235194722.db2.gz MDEGJTYDWMIRNZ-SNVBAGLBSA-N 2 2 265.361 0.492 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC(N2CCCC2=O)CC1)C1CC1 ZINC000336850811 355218634 /nfs/dbraw/zinc/21/86/34/355218634.db2.gz ZLPOCQXNRPHFPZ-HNNXBMFYSA-N 2 2 295.427 0.528 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(N2CCCC2=O)CC1)C1CC1 ZINC000336850811 355218638 /nfs/dbraw/zinc/21/86/38/355218638.db2.gz ZLPOCQXNRPHFPZ-HNNXBMFYSA-N 2 2 295.427 0.528 20 0 CCADLP COCC[NH+]1CCC([NH2+]C[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000424372966 235200961 /nfs/dbraw/zinc/20/09/61/235200961.db2.gz XDKJTRUPFWIVBX-GFCCVEGCSA-N 3 2 291.386 0.932 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[NH+](C3CCC3)CC2)CCO1 ZINC000337241826 355289556 /nfs/dbraw/zinc/28/95/56/355289556.db2.gz GEYPSLGKTKZKLR-CQSZACIVSA-N 2 2 267.417 0.877 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](C3CCC3)CC2)CCO1 ZINC000337241826 355289560 /nfs/dbraw/zinc/28/95/60/355289560.db2.gz GEYPSLGKTKZKLR-CQSZACIVSA-N 2 2 267.417 0.877 20 0 CCADLP CC[C@@H](C)[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)OC ZINC000338373289 355334727 /nfs/dbraw/zinc/33/47/27/355334727.db2.gz QSCVOGMNGZWWFQ-CYBMUJFWSA-N 2 2 299.415 0.424 20 0 CCADLP CC[C@@H](C)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)OC ZINC000338373289 355334729 /nfs/dbraw/zinc/33/47/29/355334729.db2.gz QSCVOGMNGZWWFQ-CYBMUJFWSA-N 2 2 299.415 0.424 20 0 CCADLP CC(C)[C@@H]1CN(CCC(=O)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000338355255 355329907 /nfs/dbraw/zinc/32/99/07/355329907.db2.gz HXYINYJEKNWQIM-HNNXBMFYSA-N 2 2 296.459 0.423 20 0 CCADLP CC(C)[C@@H]1CN(CCC(=O)N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000338355255 355329909 /nfs/dbraw/zinc/32/99/09/355329909.db2.gz HXYINYJEKNWQIM-HNNXBMFYSA-N 2 2 296.459 0.423 20 0 CCADLP CC(C)[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)CCN1C ZINC000338355255 355329912 /nfs/dbraw/zinc/32/99/12/355329912.db2.gz HXYINYJEKNWQIM-HNNXBMFYSA-N 2 2 296.459 0.423 20 0 CCADLP CC(C)[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)CCN1C ZINC000338355255 355329914 /nfs/dbraw/zinc/32/99/14/355329914.db2.gz HXYINYJEKNWQIM-HNNXBMFYSA-N 2 2 296.459 0.423 20 0 CCADLP C[C@](O)(C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)C(F)(F)F ZINC000337176772 355278871 /nfs/dbraw/zinc/27/88/71/355278871.db2.gz JNQOLBURRAVFNI-RYUDHWBXSA-N 2 2 296.333 0.954 20 0 CCADLP C[C@](O)(C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)C(F)(F)F ZINC000337176772 355278876 /nfs/dbraw/zinc/27/88/76/355278876.db2.gz JNQOLBURRAVFNI-RYUDHWBXSA-N 2 2 296.333 0.954 20 0 CCADLP COCCCn1nccc1C[NH2+]CCC[NH+]1CCOCC1 ZINC000338437605 355348698 /nfs/dbraw/zinc/34/86/98/355348698.db2.gz ONPVAXCLLINKQA-UHFFFAOYSA-N 2 2 296.415 0.732 20 0 CCADLP COCCCn1nccc1C[NH2+]CCC[NH+](C)C ZINC000338451588 355351340 /nfs/dbraw/zinc/35/13/40/355351340.db2.gz HFQOMILYKYAXNV-UHFFFAOYSA-N 2 2 254.378 0.961 20 0 CCADLP C[C@@H](CC(=O)N[C@H](C[NH3+])C(F)(F)F)n1cc[nH+]c1 ZINC000655519795 412610551 /nfs/dbraw/zinc/61/05/51/412610551.db2.gz XRFKAZJOTQJMCQ-JGVFFNPUSA-N 2 2 264.251 0.840 20 0 CCADLP CC[NH+](CC)CCC[NH+]1CCC(O)(C(N)=O)CC1 ZINC000340214094 355524720 /nfs/dbraw/zinc/52/47/20/355524720.db2.gz GJOXKZFZYVGSDI-UHFFFAOYSA-N 2 2 257.378 0.031 20 0 CCADLP Cc1c[nH+]c(CNC[C@@H](O)C[NH+]2CCCCC2)n1C ZINC000341120092 355610157 /nfs/dbraw/zinc/61/01/57/355610157.db2.gz HGQSLAVXRNFXQD-CYBMUJFWSA-N 2 2 266.389 0.665 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C[NH+](C)C ZINC000341270393 355642638 /nfs/dbraw/zinc/64/26/38/355642638.db2.gz WQFHGOQAJCBMLR-NWDGAFQWSA-N 2 2 264.373 0.759 20 0 CCADLP C[C@@H](O)C[C@@H](C)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000341290311 355646367 /nfs/dbraw/zinc/64/63/67/355646367.db2.gz GKKDSBBCMHCFTD-HUUCEWRRSA-N 2 2 299.459 0.532 20 0 CCADLP C[C@@H](O)C[C@@H](C)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000341290311 355646369 /nfs/dbraw/zinc/64/63/69/355646369.db2.gz GKKDSBBCMHCFTD-HUUCEWRRSA-N 2 2 299.459 0.532 20 0 CCADLP CO[C@H](C)[C@H](C)[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000341332996 355654593 /nfs/dbraw/zinc/65/45/93/355654593.db2.gz YFCNLXJAQQZMIB-XQQFMLRXSA-N 2 2 294.399 0.924 20 0 CCADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000558859928 291073409 /nfs/dbraw/zinc/07/34/09/291073409.db2.gz LFAAHIRORFBMER-VXGBXAGGSA-N 2 2 253.390 0.975 20 0 CCADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000558859928 291073411 /nfs/dbraw/zinc/07/34/11/291073411.db2.gz LFAAHIRORFBMER-VXGBXAGGSA-N 2 2 253.390 0.975 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2CCC[NH+]2C2CC2)CC[N@@H+]1CCO ZINC000427209930 235356173 /nfs/dbraw/zinc/35/61/73/235356173.db2.gz AHVVVKNLRJXYGM-JSGCOSHPSA-N 2 2 281.400 0.138 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2CCC[NH+]2C2CC2)CC[N@H+]1CCO ZINC000427209930 235356176 /nfs/dbraw/zinc/35/61/76/235356176.db2.gz AHVVVKNLRJXYGM-JSGCOSHPSA-N 2 2 281.400 0.138 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC[NH+]1CCO ZINC000427209930 235356179 /nfs/dbraw/zinc/35/61/79/235356179.db2.gz AHVVVKNLRJXYGM-JSGCOSHPSA-N 2 2 281.400 0.138 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC[NH+]1CCO ZINC000427209930 235356182 /nfs/dbraw/zinc/35/61/82/235356182.db2.gz AHVVVKNLRJXYGM-JSGCOSHPSA-N 2 2 281.400 0.138 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000342766698 355741665 /nfs/dbraw/zinc/74/16/65/355741665.db2.gz WMRUDSCHVTVFEW-KKUMJFAQSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cnc(C(C)(C)C)nc2)C1 ZINC000342798489 355748669 /nfs/dbraw/zinc/74/86/69/355748669.db2.gz UJJSCGPDTDJQSI-HNNXBMFYSA-N 2 2 278.400 0.930 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cnc(C(C)(C)C)nc2)C1 ZINC000342798489 355748673 /nfs/dbraw/zinc/74/86/73/355748673.db2.gz UJJSCGPDTDJQSI-HNNXBMFYSA-N 2 2 278.400 0.930 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428042110 235392452 /nfs/dbraw/zinc/39/24/52/235392452.db2.gz LCEKKWZUKHAJIS-FOGDFJRCSA-N 2 2 280.372 0.047 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428042110 235392454 /nfs/dbraw/zinc/39/24/54/235392454.db2.gz LCEKKWZUKHAJIS-FOGDFJRCSA-N 2 2 280.372 0.047 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000348218621 355890028 /nfs/dbraw/zinc/89/00/28/355890028.db2.gz XWXLGOXKOCQTEZ-NEPJUHHUSA-N 2 2 277.372 0.846 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000348218621 355890033 /nfs/dbraw/zinc/89/00/33/355890033.db2.gz XWXLGOXKOCQTEZ-NEPJUHHUSA-N 2 2 277.372 0.846 20 0 CCADLP CCOC(=O)[C@@H]([NH2+]CCn1cc[nH+]c1)C1CCOCC1 ZINC000348775915 355978100 /nfs/dbraw/zinc/97/81/00/355978100.db2.gz NWEXESMNQIESNF-ZDUSSCGKSA-N 2 2 281.356 0.831 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000351863201 356006733 /nfs/dbraw/zinc/00/67/33/356006733.db2.gz SVFXJLZUGMXDEP-GMXVVIOVSA-N 2 2 277.372 0.195 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000351863201 356006743 /nfs/dbraw/zinc/00/67/43/356006743.db2.gz SVFXJLZUGMXDEP-GMXVVIOVSA-N 2 2 277.372 0.195 20 0 CCADLP CCC[N@H+](C)Cc1nc(CC(=O)N2CC[NH+](C)CC2)no1 ZINC000350713667 355998197 /nfs/dbraw/zinc/99/81/97/355998197.db2.gz PTRUGMADBDFWSR-UHFFFAOYSA-N 2 2 295.387 0.228 20 0 CCADLP CCC[N@@H+](C)Cc1nc(CC(=O)N2CC[NH+](C)CC2)no1 ZINC000350713667 355998202 /nfs/dbraw/zinc/99/82/02/355998202.db2.gz PTRUGMADBDFWSR-UHFFFAOYSA-N 2 2 295.387 0.228 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC[C@H]2OC(F)F)CC1 ZINC000348523212 355942737 /nfs/dbraw/zinc/94/27/37/355942737.db2.gz CGBBAPSDNUJNHD-GHMZBOCLSA-N 2 2 291.342 0.510 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNc1[nH+]cnc2[nH]ccc21 ZINC000352638742 356037720 /nfs/dbraw/zinc/03/77/20/356037720.db2.gz WXMIMRHLTQCVJD-JTQLQIEISA-N 2 2 261.329 0.512 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNc1[nH+]cnc2[nH]ccc21 ZINC000352638742 356037721 /nfs/dbraw/zinc/03/77/21/356037721.db2.gz WXMIMRHLTQCVJD-JTQLQIEISA-N 2 2 261.329 0.512 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)NCC[N@H+]1CC=CCC1 ZINC000352911366 356108994 /nfs/dbraw/zinc/10/89/94/356108994.db2.gz LOBBQEGQTZBURE-UHFFFAOYSA-N 2 2 289.445 0.510 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)NCC[N@@H+]1CC=CCC1 ZINC000352911366 356108998 /nfs/dbraw/zinc/10/89/98/356108998.db2.gz LOBBQEGQTZBURE-UHFFFAOYSA-N 2 2 289.445 0.510 20 0 CCADLP Cc1n[nH]c(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)n1 ZINC000352742621 356068131 /nfs/dbraw/zinc/06/81/31/356068131.db2.gz PFZROLYYXWJLCB-UHFFFAOYSA-N 2 2 280.401 0.964 20 0 CCADLP Cc1nc(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)n[nH]1 ZINC000352742621 356068142 /nfs/dbraw/zinc/06/81/42/356068142.db2.gz PFZROLYYXWJLCB-UHFFFAOYSA-N 2 2 280.401 0.964 20 0 CCADLP Cc1nnc(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)[nH]1 ZINC000352742621 356068145 /nfs/dbraw/zinc/06/81/45/356068145.db2.gz PFZROLYYXWJLCB-UHFFFAOYSA-N 2 2 280.401 0.964 20 0 CCADLP C[NH+]1CCC([NH2+]C[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC000353099345 356156489 /nfs/dbraw/zinc/15/64/89/356156489.db2.gz KCFKQKVPLYJFAK-LBPRGKRZSA-N 2 2 295.349 0.933 20 0 CCADLP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCOCC1)[N@H+](C)C1CC1 ZINC000353158635 356166121 /nfs/dbraw/zinc/16/61/21/356166121.db2.gz OQMYOGYFKWRPSU-LBPRGKRZSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCOCC1)[N@@H+](C)C1CC1 ZINC000353158635 356166126 /nfs/dbraw/zinc/16/61/26/356166126.db2.gz OQMYOGYFKWRPSU-LBPRGKRZSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H](C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)[NH+]1CCOCC1 ZINC000353047638 356146509 /nfs/dbraw/zinc/14/65/09/356146509.db2.gz NRSKROWCVGIMLG-HIFRSBDPSA-N 2 2 295.427 0.698 20 0 CCADLP COCC[N@H+](C)CC[NH2+][C@@H](C)C(C)(C)n1cncn1 ZINC000353414136 356216985 /nfs/dbraw/zinc/21/69/85/356216985.db2.gz RZQJJZIAJOPMAP-LBPRGKRZSA-N 2 2 269.393 0.570 20 0 CCADLP COCC[N@@H+](C)CC[NH2+][C@@H](C)C(C)(C)n1cncn1 ZINC000353414136 356216986 /nfs/dbraw/zinc/21/69/86/356216986.db2.gz RZQJJZIAJOPMAP-LBPRGKRZSA-N 2 2 269.393 0.570 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000353466665 356229661 /nfs/dbraw/zinc/22/96/61/356229661.db2.gz IMQYMCQMZRUXTK-QPSCCSFWSA-N 2 2 297.443 0.846 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000353573760 356252178 /nfs/dbraw/zinc/25/21/78/356252178.db2.gz AIKWGLMXIVRNFS-JSGCOSHPSA-N 2 2 293.415 0.438 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000353579521 356253062 /nfs/dbraw/zinc/25/30/62/356253062.db2.gz QBRGWKUMYWGVCK-JSGCOSHPSA-N 2 2 277.368 0.523 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000353579521 356253065 /nfs/dbraw/zinc/25/30/65/356253065.db2.gz QBRGWKUMYWGVCK-JSGCOSHPSA-N 2 2 277.368 0.523 20 0 CCADLP CCCC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000353581631 356253955 /nfs/dbraw/zinc/25/39/55/356253955.db2.gz YWTHFPVEHJJOSC-NWDGAFQWSA-N 2 2 257.378 0.341 20 0 CCADLP CCCC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000353581631 356253957 /nfs/dbraw/zinc/25/39/57/356253957.db2.gz YWTHFPVEHJJOSC-NWDGAFQWSA-N 2 2 257.378 0.341 20 0 CCADLP CN1CC[N@H+](C)[C@@H](CNC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000353502540 356240753 /nfs/dbraw/zinc/24/07/53/356240753.db2.gz PXFSHGBFBPZZEK-CABCVRRESA-N 2 2 296.459 0.613 20 0 CCADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000353502540 356240757 /nfs/dbraw/zinc/24/07/57/356240757.db2.gz PXFSHGBFBPZZEK-CABCVRRESA-N 2 2 296.459 0.613 20 0 CCADLP CN1CC[NH+](C)[C@@H](CNC(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000353502540 356240761 /nfs/dbraw/zinc/24/07/61/356240761.db2.gz PXFSHGBFBPZZEK-CABCVRRESA-N 2 2 296.459 0.613 20 0 CCADLP CN1CC[NH+](C)[C@@H](CNC(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000353502540 356240765 /nfs/dbraw/zinc/24/07/65/356240765.db2.gz PXFSHGBFBPZZEK-CABCVRRESA-N 2 2 296.459 0.613 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H]1CN(C)CCN1C ZINC000361342920 138030296 /nfs/dbraw/zinc/03/02/96/138030296.db2.gz YSVFWEJWXCEGKP-MGPQQGTHSA-N 2 2 254.422 0.162 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1CN(C)CCN1C ZINC000361342920 138030297 /nfs/dbraw/zinc/03/02/97/138030297.db2.gz YSVFWEJWXCEGKP-MGPQQGTHSA-N 2 2 254.422 0.162 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@H]1NC[C@@H]1C[NH+](C)CCN1C ZINC000361342920 138030298 /nfs/dbraw/zinc/03/02/98/138030298.db2.gz YSVFWEJWXCEGKP-MGPQQGTHSA-N 2 2 254.422 0.162 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@H]1C[NH+](C)CCN1C ZINC000361342920 138030299 /nfs/dbraw/zinc/03/02/99/138030299.db2.gz YSVFWEJWXCEGKP-MGPQQGTHSA-N 2 2 254.422 0.162 20 0 CCADLP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@@H]1C[N@H+](C)CCN1C ZINC000361342920 138030300 /nfs/dbraw/zinc/03/03/00/138030300.db2.gz YSVFWEJWXCEGKP-MGPQQGTHSA-N 2 2 254.422 0.162 20 0 CCADLP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@@H]1C[N@@H+](C)CCN1C ZINC000361342920 138030301 /nfs/dbraw/zinc/03/03/01/138030301.db2.gz YSVFWEJWXCEGKP-MGPQQGTHSA-N 2 2 254.422 0.162 20 0 CCADLP COC[C@@H](CC(C)C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000361219203 138025450 /nfs/dbraw/zinc/02/54/50/138025450.db2.gz BOQNQJSMAHGDJS-ZIAGYGMSSA-N 2 2 285.432 0.977 20 0 CCADLP COC[C@@H](CC(C)C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000361219203 138025451 /nfs/dbraw/zinc/02/54/51/138025451.db2.gz BOQNQJSMAHGDJS-ZIAGYGMSSA-N 2 2 285.432 0.977 20 0 CCADLP CC(C)O[C@@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000361239394 138025738 /nfs/dbraw/zinc/02/57/38/138025738.db2.gz ZHYUTCRCWUNISN-ZIAGYGMSSA-N 2 2 297.443 0.942 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000354253428 356375648 /nfs/dbraw/zinc/37/56/48/356375648.db2.gz GXOLFLUUEUUUMR-JTQLQIEISA-N 2 2 259.313 0.810 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000362526520 138062720 /nfs/dbraw/zinc/06/27/20/138062720.db2.gz SAMVWZXCGVZUGU-TUAOUCFPSA-N 2 2 250.346 0.586 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000362526520 138062721 /nfs/dbraw/zinc/06/27/21/138062721.db2.gz SAMVWZXCGVZUGU-TUAOUCFPSA-N 2 2 250.346 0.586 20 0 CCADLP C[N@@H+]1CCC[C@H](N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000362945937 138081943 /nfs/dbraw/zinc/08/19/43/138081943.db2.gz UCDYNYRTASVTRH-ZDUSSCGKSA-N 2 2 263.389 0.622 20 0 CCADLP C[N@H+]1CCC[C@H](N2CCN(Cc3[nH]cc[nH+]3)CC2)C1 ZINC000362945937 138081944 /nfs/dbraw/zinc/08/19/44/138081944.db2.gz UCDYNYRTASVTRH-ZDUSSCGKSA-N 2 2 263.389 0.622 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000362696227 138070514 /nfs/dbraw/zinc/07/05/14/138070514.db2.gz BTAJHUFYMBPQLE-CQSZACIVSA-N 2 2 289.379 0.788 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2cccc(O)c2)C1 ZINC000362696227 138070515 /nfs/dbraw/zinc/07/05/15/138070515.db2.gz BTAJHUFYMBPQLE-CQSZACIVSA-N 2 2 289.379 0.788 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](CC(C)C)CC2)C1 ZINC000363262275 138088602 /nfs/dbraw/zinc/08/86/02/138088602.db2.gz ZAUBUNCHGQEPKK-CQSZACIVSA-N 2 2 283.416 0.507 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](CC(C)C)CC2)C1 ZINC000363262275 138088603 /nfs/dbraw/zinc/08/86/03/138088603.db2.gz ZAUBUNCHGQEPKK-CQSZACIVSA-N 2 2 283.416 0.507 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000331738272 283165428 /nfs/dbraw/zinc/16/54/28/283165428.db2.gz WDVHYZVDBQFPSC-ILXRZTDVSA-N 3 2 261.369 0.787 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000331738272 283165430 /nfs/dbraw/zinc/16/54/30/283165430.db2.gz WDVHYZVDBQFPSC-ILXRZTDVSA-N 3 2 261.369 0.787 20 0 CCADLP Cn1nncc1C[N@@H+]1CCO[C@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000355213175 356609582 /nfs/dbraw/zinc/60/95/82/356609582.db2.gz PTSYVDQWRSJDPL-XBFCOCLRSA-N 2 2 279.388 0.499 20 0 CCADLP Cn1nncc1C[N@H+]1CCO[C@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000355213175 356609588 /nfs/dbraw/zinc/60/95/88/356609588.db2.gz PTSYVDQWRSJDPL-XBFCOCLRSA-N 2 2 279.388 0.499 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000356151642 356712228 /nfs/dbraw/zinc/71/22/28/356712228.db2.gz JRXFQALNDKBMFJ-ZDUSSCGKSA-N 2 2 286.420 0.300 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000358530719 356777951 /nfs/dbraw/zinc/77/79/51/356777951.db2.gz SBNNVGMMDGSSMB-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCC[NH+](C)CC1 ZINC000356379428 356757142 /nfs/dbraw/zinc/75/71/42/356757142.db2.gz UJYQXQROOPHSEC-CYBMUJFWSA-N 2 2 284.404 0.054 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCC[NH+](C)CC1 ZINC000356379428 356757143 /nfs/dbraw/zinc/75/71/43/356757143.db2.gz UJYQXQROOPHSEC-CYBMUJFWSA-N 2 2 284.404 0.054 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N1CCC[N@H+](C)CC1 ZINC000356379428 356757144 /nfs/dbraw/zinc/75/71/44/356757144.db2.gz UJYQXQROOPHSEC-CYBMUJFWSA-N 2 2 284.404 0.054 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)N1CCC[N@@H+](C)CC1 ZINC000356379428 356757145 /nfs/dbraw/zinc/75/71/45/356757145.db2.gz UJYQXQROOPHSEC-CYBMUJFWSA-N 2 2 284.404 0.054 20 0 CCADLP CC(C)S(=O)(=O)CCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359270560 356790389 /nfs/dbraw/zinc/79/03/89/356790389.db2.gz FJCBTRJIPFSCHE-RYUDHWBXSA-N 2 2 260.403 0.351 20 0 CCADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)NCC1CCCCC1 ZINC000359285922 356793747 /nfs/dbraw/zinc/79/37/47/356793747.db2.gz XESYRNCKEPGMNQ-KBPBESRZSA-N 2 2 265.401 0.834 20 0 CCADLP C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1CCO ZINC000329085712 202183307 /nfs/dbraw/zinc/18/33/07/202183307.db2.gz GLFXOJKXHVNRQV-LBPRGKRZSA-N 2 2 288.351 0.473 20 0 CCADLP C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1CCO ZINC000329085712 202183312 /nfs/dbraw/zinc/18/33/12/202183312.db2.gz GLFXOJKXHVNRQV-LBPRGKRZSA-N 2 2 288.351 0.473 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000359660234 356866807 /nfs/dbraw/zinc/86/68/07/356866807.db2.gz UJHDCBVZPOFVOG-ZJUUUORDSA-N 2 2 265.361 0.516 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000359660234 356866811 /nfs/dbraw/zinc/86/68/11/356866811.db2.gz UJHDCBVZPOFVOG-ZJUUUORDSA-N 2 2 265.361 0.516 20 0 CCADLP COC(=O)[C@@H](C1CC1)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000359578150 356849762 /nfs/dbraw/zinc/84/97/62/356849762.db2.gz BYTKDUPVBCSYLB-CYBMUJFWSA-N 2 2 270.373 0.327 20 0 CCADLP COC(=O)[C@@H](C1CC1)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000359578150 356849769 /nfs/dbraw/zinc/84/97/69/356849769.db2.gz BYTKDUPVBCSYLB-CYBMUJFWSA-N 2 2 270.373 0.327 20 0 CCADLP COC[C@@H](C)NC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000360488012 357024925 /nfs/dbraw/zinc/02/49/25/357024925.db2.gz HGDNPEYWATYHEW-LLVKDONJSA-N 2 2 288.355 0.916 20 0 CCADLP Cn1nccc1CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000364295973 357106146 /nfs/dbraw/zinc/10/61/46/357106146.db2.gz ARRQPDJTTYVHPH-AWEZNQCLSA-N 2 2 278.400 0.617 20 0 CCADLP Cn1nccc1CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000364295973 357106148 /nfs/dbraw/zinc/10/61/48/357106148.db2.gz ARRQPDJTTYVHPH-AWEZNQCLSA-N 2 2 278.400 0.617 20 0 CCADLP CC[C@@H](CCO)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655715815 412649703 /nfs/dbraw/zinc/64/97/03/412649703.db2.gz NUSYDOPHTPPMSG-JSGCOSHPSA-N 2 2 256.390 0.990 20 0 CCADLP C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000365449447 357152624 /nfs/dbraw/zinc/15/26/24/357152624.db2.gz QQISRZLAXFRCIF-OAHLLOKOSA-N 2 2 288.395 0.820 20 0 CCADLP C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000365449447 357152627 /nfs/dbraw/zinc/15/26/27/357152627.db2.gz QQISRZLAXFRCIF-OAHLLOKOSA-N 2 2 288.395 0.820 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3C2)CC[NH2+]1 ZINC000364592280 357123095 /nfs/dbraw/zinc/12/30/95/357123095.db2.gz SVUNIMKBMUGHGH-LLVKDONJSA-N 2 2 279.409 0.927 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3C2)CC[NH2+]1 ZINC000364592280 357123096 /nfs/dbraw/zinc/12/30/96/357123096.db2.gz SVUNIMKBMUGHGH-LLVKDONJSA-N 2 2 279.409 0.927 20 0 CCADLP COCCC[N@@H+]1CCCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000366274469 357198367 /nfs/dbraw/zinc/19/83/67/357198367.db2.gz UTSOIFWBVCIPFM-UHFFFAOYSA-N 2 2 294.399 0.913 20 0 CCADLP COCCC[N@H+]1CCCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000366274469 357198369 /nfs/dbraw/zinc/19/83/69/357198369.db2.gz UTSOIFWBVCIPFM-UHFFFAOYSA-N 2 2 294.399 0.913 20 0 CCADLP COCCC[N@@H+]1CCCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000366274469 357198371 /nfs/dbraw/zinc/19/83/71/357198371.db2.gz UTSOIFWBVCIPFM-UHFFFAOYSA-N 2 2 294.399 0.913 20 0 CCADLP COCCC[N@H+]1CCCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000366274469 357198372 /nfs/dbraw/zinc/19/83/72/357198372.db2.gz UTSOIFWBVCIPFM-UHFFFAOYSA-N 2 2 294.399 0.913 20 0 CCADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)[C@H](C)CO ZINC000655728864 412651573 /nfs/dbraw/zinc/65/15/73/412651573.db2.gz ZHXDGOVWVWDFHG-BZPMIXESSA-N 2 2 256.390 0.846 20 0 CCADLP COC(C)(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369274406 357342907 /nfs/dbraw/zinc/34/29/07/357342907.db2.gz OXVCTMBXDZFZNM-GFCCVEGCSA-N 2 2 283.416 0.696 20 0 CCADLP COC(C)(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369274406 357342910 /nfs/dbraw/zinc/34/29/10/357342910.db2.gz OXVCTMBXDZFZNM-GFCCVEGCSA-N 2 2 283.416 0.696 20 0 CCADLP CO[C@@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370836786 357356940 /nfs/dbraw/zinc/35/69/40/357356940.db2.gz BJNKSAGZGQVSRO-JSGCOSHPSA-N 2 2 283.416 0.648 20 0 CCADLP CO[C@@H](C)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370836786 357356944 /nfs/dbraw/zinc/35/69/44/357356944.db2.gz BJNKSAGZGQVSRO-JSGCOSHPSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000376336736 357458644 /nfs/dbraw/zinc/45/86/44/357458644.db2.gz MTOXHTWESAPMPO-KGLIPLIRSA-N 2 2 283.416 0.603 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000449344134 236029180 /nfs/dbraw/zinc/02/91/80/236029180.db2.gz BFDNWXBCBIVAEL-RDBSUJKOSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000449344134 236029182 /nfs/dbraw/zinc/02/91/82/236029182.db2.gz BFDNWXBCBIVAEL-RDBSUJKOSA-N 2 2 283.416 0.731 20 0 CCADLP C([C@@H]1CCCO1)[NH+]1CCC([NH2+]C2COCCOC2)CC1 ZINC000655769949 412658297 /nfs/dbraw/zinc/65/82/97/412658297.db2.gz UDNUDLAONJAJNK-HNNXBMFYSA-N 2 2 284.400 0.635 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@](C)(COC)C1 ZINC000381480379 357709861 /nfs/dbraw/zinc/70/98/61/357709861.db2.gz NNXPMHWXJHANCZ-KGLIPLIRSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@](C)(COC)C1 ZINC000381480379 357709866 /nfs/dbraw/zinc/70/98/66/357709866.db2.gz NNXPMHWXJHANCZ-KGLIPLIRSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@](C)(COC)C1 ZINC000381480379 357709868 /nfs/dbraw/zinc/70/98/68/357709868.db2.gz NNXPMHWXJHANCZ-KGLIPLIRSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@](C)(COC)C1 ZINC000381480379 357709873 /nfs/dbraw/zinc/70/98/73/357709873.db2.gz NNXPMHWXJHANCZ-KGLIPLIRSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC2(CCC2)C1 ZINC000381041339 357708471 /nfs/dbraw/zinc/70/84/71/357708471.db2.gz VYDJVLJMHKNIDU-ZDUSSCGKSA-N 2 2 256.390 0.802 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC2(CCC2)C1 ZINC000381041339 357708472 /nfs/dbraw/zinc/70/84/72/357708472.db2.gz VYDJVLJMHKNIDU-ZDUSSCGKSA-N 2 2 256.390 0.802 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC2(CCC2)C1 ZINC000381041339 357708473 /nfs/dbraw/zinc/70/84/73/357708473.db2.gz VYDJVLJMHKNIDU-ZDUSSCGKSA-N 2 2 256.390 0.802 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC2(CCC2)C1 ZINC000381041339 357708474 /nfs/dbraw/zinc/70/84/74/357708474.db2.gz VYDJVLJMHKNIDU-ZDUSSCGKSA-N 2 2 256.390 0.802 20 0 CCADLP CCOC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000388633805 357734603 /nfs/dbraw/zinc/73/46/03/357734603.db2.gz WGTIWNZVYQUIKN-OLZOCXBDSA-N 2 2 272.389 0.574 20 0 CCADLP CCOC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000388633805 357734609 /nfs/dbraw/zinc/73/46/09/357734609.db2.gz WGTIWNZVYQUIKN-OLZOCXBDSA-N 2 2 272.389 0.574 20 0 CCADLP CCOC(=O)[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)CC)C1 ZINC000388633805 357734616 /nfs/dbraw/zinc/73/46/16/357734616.db2.gz WGTIWNZVYQUIKN-OLZOCXBDSA-N 2 2 272.389 0.574 20 0 CCADLP CCOC(=O)[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000388633805 357734621 /nfs/dbraw/zinc/73/46/21/357734621.db2.gz WGTIWNZVYQUIKN-OLZOCXBDSA-N 2 2 272.389 0.574 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)s1 ZINC000392033635 357747901 /nfs/dbraw/zinc/74/79/01/357747901.db2.gz IUWPIVSGCSXPHQ-SECBINFHSA-N 2 2 283.401 0.271 20 0 CCADLP c1[nH]nnc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000398401635 357777353 /nfs/dbraw/zinc/77/73/53/357777353.db2.gz MYLNYTASXDTULD-UHFFFAOYSA-N 2 2 258.329 0.958 20 0 CCADLP c1n[nH]nc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000398401635 357777356 /nfs/dbraw/zinc/77/73/56/357777356.db2.gz MYLNYTASXDTULD-UHFFFAOYSA-N 2 2 258.329 0.958 20 0 CCADLP C[C@@H]1CN(c2cc[nH+]c(N(C)C)n2)C[C@H](C)[N@H+]1CCO ZINC000450791416 236112251 /nfs/dbraw/zinc/11/22/51/236112251.db2.gz IOVBKNAJHJNTAB-TXEJJXNPSA-N 2 2 279.388 0.434 20 0 CCADLP C[C@@H]1CN(c2cc[nH+]c(N(C)C)n2)C[C@H](C)[N@@H+]1CCO ZINC000450791416 236112254 /nfs/dbraw/zinc/11/22/54/236112254.db2.gz IOVBKNAJHJNTAB-TXEJJXNPSA-N 2 2 279.388 0.434 20 0 CCADLP C[C@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)[C@@H]1CCCO1 ZINC000453299257 236274273 /nfs/dbraw/zinc/27/42/73/236274273.db2.gz XADNEGKRIWOZMR-IHRRRGAJSA-N 2 2 256.390 0.990 20 0 CCADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)[C@@H]1CCCO1 ZINC000453299257 236274276 /nfs/dbraw/zinc/27/42/76/236274276.db2.gz XADNEGKRIWOZMR-IHRRRGAJSA-N 2 2 256.390 0.990 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000367295555 283320810 /nfs/dbraw/zinc/32/08/10/283320810.db2.gz LVIDDBPNNGQXLU-GJZGRUSLSA-N 2 2 295.427 0.970 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000367295555 283320815 /nfs/dbraw/zinc/32/08/15/283320815.db2.gz LVIDDBPNNGQXLU-GJZGRUSLSA-N 2 2 295.427 0.970 20 0 CCADLP Cc1nc(NC[C@@H]2CC[N@@H+](C3CC3)C2)nc(N(C)C)[nH+]1 ZINC000561438119 291129411 /nfs/dbraw/zinc/12/94/11/291129411.db2.gz BUBZWLRRLBWLHB-NSHDSACASA-N 2 2 276.388 0.564 20 0 CCADLP Cc1nc(NC[C@@H]2CC[N@H+](C3CC3)C2)nc(N(C)C)[nH+]1 ZINC000561438119 291129414 /nfs/dbraw/zinc/12/94/14/291129414.db2.gz BUBZWLRRLBWLHB-NSHDSACASA-N 2 2 276.388 0.564 20 0 CCADLP Cc1nc(N(C)C)nc(NC[C@@H]2CC[N@@H+](C3CC3)C2)[nH+]1 ZINC000561438119 291129417 /nfs/dbraw/zinc/12/94/17/291129417.db2.gz BUBZWLRRLBWLHB-NSHDSACASA-N 2 2 276.388 0.564 20 0 CCADLP Cc1nc(N(C)C)nc(NC[C@@H]2CC[N@H+](C3CC3)C2)[nH+]1 ZINC000561438119 291129419 /nfs/dbraw/zinc/12/94/19/291129419.db2.gz BUBZWLRRLBWLHB-NSHDSACASA-N 2 2 276.388 0.564 20 0 CCADLP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1[nH+]ccn1C ZINC000408434917 358092851 /nfs/dbraw/zinc/09/28/51/358092851.db2.gz JUIJMGPMRJKLAA-RYUDHWBXSA-N 2 2 279.388 0.902 20 0 CCADLP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1[nH+]ccn1C ZINC000408434917 358092855 /nfs/dbraw/zinc/09/28/55/358092855.db2.gz JUIJMGPMRJKLAA-RYUDHWBXSA-N 2 2 279.388 0.902 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000417029852 358129873 /nfs/dbraw/zinc/12/98/73/358129873.db2.gz OIJYWGRAXMCQHM-MGPQQGTHSA-N 2 2 298.431 0.524 20 0 CCADLP C[NH2+]C[C@@H]1CCCN1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000417430159 358133071 /nfs/dbraw/zinc/13/30/71/358133071.db2.gz WXPVMUGGPIZZKR-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH2+]C[C@@H]1CCCN1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000417430159 358133075 /nfs/dbraw/zinc/13/30/75/358133075.db2.gz WXPVMUGGPIZZKR-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCc2c(nnn2C)C1 ZINC000655830773 412667545 /nfs/dbraw/zinc/66/75/45/412667545.db2.gz WYQUQYRBDCCGBK-UHIISALHSA-N 2 2 275.400 0.745 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCc2c(nnn2C)C1 ZINC000655830773 412667549 /nfs/dbraw/zinc/66/75/49/412667549.db2.gz WYQUQYRBDCCGBK-UHIISALHSA-N 2 2 275.400 0.745 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420376864 358180371 /nfs/dbraw/zinc/18/03/71/358180371.db2.gz ARMFCUJHRYCUFK-VXGBXAGGSA-N 2 2 282.388 0.296 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420376864 358180373 /nfs/dbraw/zinc/18/03/73/358180373.db2.gz ARMFCUJHRYCUFK-VXGBXAGGSA-N 2 2 282.388 0.296 20 0 CCADLP C[C@H](C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1)CN1CCOCC1 ZINC000422756707 358192881 /nfs/dbraw/zinc/19/28/81/358192881.db2.gz HDRXUHAKTWIFSE-KFWWJZLASA-N 2 2 285.432 0.311 20 0 CCADLP CC[NH+](CC)CCOCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423030658 358196301 /nfs/dbraw/zinc/19/63/01/358196301.db2.gz CEHBAVWOLUMIJQ-ZIAGYGMSSA-N 3 2 257.422 0.932 20 0 CCADLP C[C@H]([NH3+])CC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000423864436 358206813 /nfs/dbraw/zinc/20/68/13/358206813.db2.gz JNODCOPSXGFXRT-AAEUAGOBSA-N 2 2 269.389 0.293 20 0 CCADLP C[C@H]([NH3+])CC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000423864436 358206819 /nfs/dbraw/zinc/20/68/19/358206819.db2.gz JNODCOPSXGFXRT-AAEUAGOBSA-N 2 2 269.389 0.293 20 0 CCADLP C[N@H+]([C@H]1CCN(C(C)(C)C)C1=O)C1CC[NH+](CCO)CC1 ZINC000425397557 358214307 /nfs/dbraw/zinc/21/43/07/358214307.db2.gz SCBJNUACFHNLBW-AWEZNQCLSA-N 2 2 297.443 0.774 20 0 CCADLP C[N@@H+]([C@H]1CCN(C(C)(C)C)C1=O)C1CC[NH+](CCO)CC1 ZINC000425397557 358214311 /nfs/dbraw/zinc/21/43/11/358214311.db2.gz SCBJNUACFHNLBW-AWEZNQCLSA-N 2 2 297.443 0.774 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)CCn1cc[nH+]c1 ZINC000294730566 199156043 /nfs/dbraw/zinc/15/60/43/199156043.db2.gz XJRCQUKVHQUAJF-UHFFFAOYSA-N 2 2 260.297 0.993 20 0 CCADLP C[C@@H](C(=O)N(C1CC1)[C@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000435238907 358235814 /nfs/dbraw/zinc/23/58/14/358235814.db2.gz HUYNAZZDVVDPMK-AAEUAGOBSA-N 2 2 267.373 0.060 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000562273756 291141196 /nfs/dbraw/zinc/14/11/96/291141196.db2.gz NCZUUUDHHBOAAD-ZDUSSCGKSA-N 2 2 262.357 0.970 20 0 CCADLP C[C@@H](C(=O)N1CCCC[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000428962418 358222912 /nfs/dbraw/zinc/22/29/12/358222912.db2.gz KCALUUXBFHBCKI-NWDGAFQWSA-N 2 2 255.362 0.047 20 0 CCADLP c1cn(-c2ccc(C[NH2+]C[C@@H]3COCCN3)cc2)c[nH+]1 ZINC000530182718 358374419 /nfs/dbraw/zinc/37/44/19/358374419.db2.gz YJGUJYKAOWWYJX-CQSZACIVSA-N 2 2 272.352 0.950 20 0 CCADLP CCn1ncc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)n1 ZINC000530242224 358385212 /nfs/dbraw/zinc/38/52/12/358385212.db2.gz OCFZYZNKMQNAAW-OAHLLOKOSA-N 2 2 293.415 0.889 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000562454219 291153043 /nfs/dbraw/zinc/15/30/43/291153043.db2.gz FCJCAGXOHGNZKP-NWDGAFQWSA-N 2 2 273.340 0.847 20 0 CCADLP C[N@@H+]1CCN(Cc2cccc3c2OCCCO3)[C@H](C[NH3+])C1 ZINC000567734660 358579129 /nfs/dbraw/zinc/57/91/29/358579129.db2.gz SJOGAMCOKHLGGE-CQSZACIVSA-N 2 2 291.395 0.923 20 0 CCADLP C[N@H+]1CCN(Cc2cccc3c2OCCCO3)[C@H](C[NH3+])C1 ZINC000567734660 358579132 /nfs/dbraw/zinc/57/91/32/358579132.db2.gz SJOGAMCOKHLGGE-CQSZACIVSA-N 2 2 291.395 0.923 20 0 CCADLP C[C@H](O)C[C@H](C)C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000567875518 358603521 /nfs/dbraw/zinc/60/35/21/358603521.db2.gz GFEHANMHVPEZPL-BTFPBAQTSA-N 2 2 288.432 0.453 20 0 CCADLP C[C@H](O)C[C@H](C)C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000567875518 358603523 /nfs/dbraw/zinc/60/35/23/358603523.db2.gz GFEHANMHVPEZPL-BTFPBAQTSA-N 2 2 288.432 0.453 20 0 CCADLP C[C@@H]1[NH2+]CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)[C@H]1C ZINC000567915699 358614110 /nfs/dbraw/zinc/61/41/10/358614110.db2.gz DPEGMIXPIJDMOX-GARJFASQSA-N 2 2 277.372 0.309 20 0 CCADLP C[C@H](CC(=O)N[C@@H]1C[NH2+]CCC1(F)F)n1cc[nH+]c1 ZINC000568151588 358636423 /nfs/dbraw/zinc/63/64/23/358636423.db2.gz FVUVQDXJUNKGLL-NXEZZACHSA-N 2 2 272.299 0.948 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)[NH+]1CC(C)C1 ZINC000568205258 358647676 /nfs/dbraw/zinc/64/76/76/358647676.db2.gz IUQQUGKBYZJCQU-ZIAGYGMSSA-N 2 2 297.443 0.630 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)[NH+]1CC(C)C1 ZINC000568205258 358647681 /nfs/dbraw/zinc/64/76/81/358647681.db2.gz IUQQUGKBYZJCQU-ZIAGYGMSSA-N 2 2 297.443 0.630 20 0 CCADLP C[N@@H+]1CCN(c2nc(N)c3ccccc3n2)[C@@H](C[NH3+])C1 ZINC000568235185 358654709 /nfs/dbraw/zinc/65/47/09/358654709.db2.gz ILGTZPKYNIUJMD-JTQLQIEISA-N 2 2 272.356 0.121 20 0 CCADLP C[N@H+]1CCN(c2nc(N)c3ccccc3n2)[C@@H](C[NH3+])C1 ZINC000568235185 358654711 /nfs/dbraw/zinc/65/47/11/358654711.db2.gz ILGTZPKYNIUJMD-JTQLQIEISA-N 2 2 272.356 0.121 20 0 CCADLP COc1cc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)ccn1 ZINC000568236914 358655259 /nfs/dbraw/zinc/65/52/59/358655259.db2.gz YORPKLBVRFPQLW-SMDDNHRTSA-N 2 2 265.357 0.807 20 0 CCADLP C[N@@H+]1CCN(c2nc(N)c3ccccc3n2)[C@H](C[NH3+])C1 ZINC000568235186 358655278 /nfs/dbraw/zinc/65/52/78/358655278.db2.gz ILGTZPKYNIUJMD-SNVBAGLBSA-N 2 2 272.356 0.121 20 0 CCADLP C[N@H+]1CCN(c2nc(N)c3ccccc3n2)[C@H](C[NH3+])C1 ZINC000568235186 358655281 /nfs/dbraw/zinc/65/52/81/358655281.db2.gz ILGTZPKYNIUJMD-SNVBAGLBSA-N 2 2 272.356 0.121 20 0 CCADLP CCOc1ccccc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000568259320 358658882 /nfs/dbraw/zinc/65/88/82/358658882.db2.gz COGIHKPDSOHZJY-UONOGXRCSA-N 2 2 289.379 0.829 20 0 CCADLP CCOc1ccccc1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000568259320 358658884 /nfs/dbraw/zinc/65/88/84/358658884.db2.gz COGIHKPDSOHZJY-UONOGXRCSA-N 2 2 289.379 0.829 20 0 CCADLP CC1(C)C[NH+](CC(=O)NC[C@H]2CCCC[N@H+]2CCO)C1 ZINC000568410914 358673590 /nfs/dbraw/zinc/67/35/90/358673590.db2.gz BRXCWKKAZFPBMT-CYBMUJFWSA-N 2 2 283.416 0.291 20 0 CCADLP CCn1nc(C)c(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1C ZINC000568533618 358685259 /nfs/dbraw/zinc/68/52/59/358685259.db2.gz OGDVPXDXDWPXIK-GXTWGEPZSA-N 2 2 291.399 0.264 20 0 CCADLP CCn1nc(C)c(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1C ZINC000568533618 358685264 /nfs/dbraw/zinc/68/52/64/358685264.db2.gz OGDVPXDXDWPXIK-GXTWGEPZSA-N 2 2 291.399 0.264 20 0 CCADLP C[C@H](CN1CCOCC1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000568590267 358687125 /nfs/dbraw/zinc/68/71/25/358687125.db2.gz ROYPFKUOGXACAE-CYBMUJFWSA-N 2 2 279.388 0.252 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000568590267 358687127 /nfs/dbraw/zinc/68/71/27/358687127.db2.gz ROYPFKUOGXACAE-CYBMUJFWSA-N 2 2 279.388 0.252 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](CO)c1ccccc1 ZINC000568996537 358724233 /nfs/dbraw/zinc/72/42/33/358724233.db2.gz JIJVXPLTORXACP-CVEARBPZSA-N 2 2 296.411 0.591 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](CO)c1ccccc1 ZINC000568996537 358724234 /nfs/dbraw/zinc/72/42/34/358724234.db2.gz JIJVXPLTORXACP-CVEARBPZSA-N 2 2 296.411 0.591 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](CO)c1ccccc1 ZINC000568996537 358724238 /nfs/dbraw/zinc/72/42/38/358724238.db2.gz JIJVXPLTORXACP-CVEARBPZSA-N 2 2 296.411 0.591 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H](CO)Cc1ccncc1)C1CC1 ZINC000569122975 358737685 /nfs/dbraw/zinc/73/76/85/358737685.db2.gz QVLUXHWWZOSRGU-HIFRSBDPSA-N 2 2 279.384 0.030 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](CO)Cc1ccncc1)C1CC1 ZINC000569122975 358737688 /nfs/dbraw/zinc/73/76/88/358737688.db2.gz QVLUXHWWZOSRGU-HIFRSBDPSA-N 2 2 279.384 0.030 20 0 CCADLP COc1coc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1=O ZINC000569984730 358812090 /nfs/dbraw/zinc/81/20/90/358812090.db2.gz ACGILQMRQYYSFC-VHSXEESVSA-N 2 2 252.314 0.960 20 0 CCADLP COc1coc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1=O ZINC000569984730 358812093 /nfs/dbraw/zinc/81/20/93/358812093.db2.gz ACGILQMRQYYSFC-VHSXEESVSA-N 2 2 252.314 0.960 20 0 CCADLP C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CC[NH2+]CC1 ZINC000569605611 358778411 /nfs/dbraw/zinc/77/84/11/358778411.db2.gz PLDICKFCUUFBNY-HOTGVXAUSA-N 3 2 277.412 0.601 20 0 CCADLP C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CC[NH2+]CC1 ZINC000569605611 358778415 /nfs/dbraw/zinc/77/84/15/358778415.db2.gz PLDICKFCUUFBNY-HOTGVXAUSA-N 3 2 277.412 0.601 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000569694439 358785986 /nfs/dbraw/zinc/78/59/86/358785986.db2.gz TXLURKJXOQUQHQ-WDEREUQCSA-N 2 2 270.377 0.280 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000569694439 358785987 /nfs/dbraw/zinc/78/59/87/358785987.db2.gz TXLURKJXOQUQHQ-WDEREUQCSA-N 2 2 270.377 0.280 20 0 CCADLP COc1c(N)[nH+]cnc1NCC[N@H+]1CC=C(C)CC1 ZINC000570107439 358824920 /nfs/dbraw/zinc/82/49/20/358824920.db2.gz WOYCUMBXXRDXMY-UHFFFAOYSA-N 2 2 263.345 0.553 20 0 CCADLP COc1c(N)[nH+]cnc1NCC[N@@H+]1CC=C(C)CC1 ZINC000570107439 358824925 /nfs/dbraw/zinc/82/49/25/358824925.db2.gz WOYCUMBXXRDXMY-UHFFFAOYSA-N 2 2 263.345 0.553 20 0 CCADLP CC(C)CC[C@@H](O)C[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000569921505 358805200 /nfs/dbraw/zinc/80/52/00/358805200.db2.gz VMGGZIWSHSXYHJ-UONOGXRCSA-N 2 2 257.422 0.619 20 0 CCADLP CC(C)CC[C@@H](O)C[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000569921505 358805202 /nfs/dbraw/zinc/80/52/02/358805202.db2.gz VMGGZIWSHSXYHJ-UONOGXRCSA-N 2 2 257.422 0.619 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](CO)C(C)(C)C ZINC000570507550 358864182 /nfs/dbraw/zinc/86/41/82/358864182.db2.gz DILOJACRXVUATF-OLZOCXBDSA-N 2 2 276.421 0.264 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](CO)C(C)(C)C ZINC000570507550 358864185 /nfs/dbraw/zinc/86/41/85/358864185.db2.gz DILOJACRXVUATF-OLZOCXBDSA-N 2 2 276.421 0.264 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](CO)C(C)(C)C ZINC000570507550 358864186 /nfs/dbraw/zinc/86/41/86/358864186.db2.gz DILOJACRXVUATF-OLZOCXBDSA-N 2 2 276.421 0.264 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](CO)C(C)(C)C ZINC000570507550 358864190 /nfs/dbraw/zinc/86/41/90/358864190.db2.gz DILOJACRXVUATF-OLZOCXBDSA-N 2 2 276.421 0.264 20 0 CCADLP COCC[NH+]1CCC(Nc2nc[nH+]c(N)c2OC)CC1 ZINC000570581274 358872732 /nfs/dbraw/zinc/87/27/32/358872732.db2.gz MKCJEMGHQVNBAR-UHFFFAOYSA-N 2 2 281.360 0.590 20 0 CCADLP COCC[NH+]1CCC(Nc2[nH+]cnc(N)c2OC)CC1 ZINC000570581274 358872735 /nfs/dbraw/zinc/87/27/35/358872735.db2.gz MKCJEMGHQVNBAR-UHFFFAOYSA-N 2 2 281.360 0.590 20 0 CCADLP C[N@@H+](CC(=O)NC1C2CC3CC(C2)CC1C3)C[C@H](O)C[NH3+] ZINC000570619498 358874896 /nfs/dbraw/zinc/87/48/96/358874896.db2.gz MCYXAGOTEQVEMD-GMDIISMXSA-N 2 2 295.427 0.179 20 0 CCADLP C[N@H+](CC(=O)NC1C2CC3CC(C2)CC1C3)C[C@H](O)C[NH3+] ZINC000570619498 358874900 /nfs/dbraw/zinc/87/49/00/358874900.db2.gz MCYXAGOTEQVEMD-GMDIISMXSA-N 2 2 295.427 0.179 20 0 CCADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)Cn2cc[nH+]c2)CC1 ZINC000570789812 358894295 /nfs/dbraw/zinc/89/42/95/358894295.db2.gz XGBPOMSKFCUMDF-CQSZACIVSA-N 2 2 293.415 0.273 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NCc1c[nH+]c(C)nc1N ZINC000570804147 358896899 /nfs/dbraw/zinc/89/68/99/358896899.db2.gz LUQYTPMNKPZETL-LBPRGKRZSA-N 2 2 277.372 0.688 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)NCc1c[nH+]c(C)nc1N ZINC000570804147 358896902 /nfs/dbraw/zinc/89/69/02/358896902.db2.gz LUQYTPMNKPZETL-LBPRGKRZSA-N 2 2 277.372 0.688 20 0 CCADLP C[C@@H]1CN(C[C@@H](O)C[NH2+]CCc2cn(C)c[nH+]2)C[C@H](C)O1 ZINC000571039844 358906152 /nfs/dbraw/zinc/90/61/52/358906152.db2.gz MCAWHTCCVOAHPE-GUTXKFCHSA-N 2 2 296.415 0.022 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC(=O)N3CCCC[C@@H]23)n1C ZINC000574053309 359024201 /nfs/dbraw/zinc/02/42/01/359024201.db2.gz CAQPAPFUKONFDI-OLZOCXBDSA-N 2 2 262.357 0.972 20 0 CCADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C(C)(C)C[NH+](C)C ZINC000562810363 291168503 /nfs/dbraw/zinc/16/85/03/291168503.db2.gz ODENHVDVWPXLDR-STQMWFEESA-N 3 2 299.463 0.247 20 0 CCADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C(C)(C)C[NH+](C)C ZINC000562810363 291168505 /nfs/dbraw/zinc/16/85/05/291168505.db2.gz ODENHVDVWPXLDR-STQMWFEESA-N 3 2 299.463 0.247 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000573625674 358986281 /nfs/dbraw/zinc/98/62/81/358986281.db2.gz ANVVXKZKZAKDFD-ONGXEEELSA-N 2 2 251.334 0.549 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000573625674 358986282 /nfs/dbraw/zinc/98/62/82/358986282.db2.gz ANVVXKZKZAKDFD-ONGXEEELSA-N 2 2 251.334 0.549 20 0 CCADLP CC(C)[C@H](NC(=O)C[C@@H]1COCC[NH2+]1)c1[nH]cc[nH+]1 ZINC000573962692 359015821 /nfs/dbraw/zinc/01/58/21/359015821.db2.gz HUMIBOVKPATRTE-PWSUYJOCSA-N 2 2 266.345 0.602 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCC(C)(C)O)C[C@@H](C)O1 ZINC000580316759 359081674 /nfs/dbraw/zinc/08/16/74/359081674.db2.gz ZZYXGNXLUBMSQW-JHJVBQTASA-N 2 2 274.405 0.207 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@H+](CCOc3cccc(F)c3)CCN2C1=O ZINC000580725452 359087524 /nfs/dbraw/zinc/08/75/24/359087524.db2.gz RSWAMKAFYYWEPP-GXTWGEPZSA-N 2 2 293.342 0.448 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCOc3cccc(F)c3)CCN2C1=O ZINC000580725452 359087529 /nfs/dbraw/zinc/08/75/29/359087529.db2.gz RSWAMKAFYYWEPP-GXTWGEPZSA-N 2 2 293.342 0.448 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1Nc1cc(N2CCOCC2)[nH+]cn1 ZINC000580883855 359103544 /nfs/dbraw/zinc/10/35/44/359103544.db2.gz DJVDDPBMAUIOKW-VXGBXAGGSA-N 2 2 277.372 0.723 20 0 CCADLP COc1c(N)[nH+]cnc1N(C)CCC[NH+]1CCCC1 ZINC000579859614 359056725 /nfs/dbraw/zinc/05/67/25/359056725.db2.gz YXKPJPQHHFECQI-UHFFFAOYSA-N 2 2 265.361 0.990 20 0 CCADLP COc1c(N)nc[nH+]c1N(C)CCC[NH+]1CCCC1 ZINC000579859614 359056728 /nfs/dbraw/zinc/05/67/28/359056728.db2.gz YXKPJPQHHFECQI-UHFFFAOYSA-N 2 2 265.361 0.990 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000584586512 359174819 /nfs/dbraw/zinc/17/48/19/359174819.db2.gz DPFABESGUMDPHH-WCQYABFASA-N 3 2 264.373 0.243 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000584586512 359174824 /nfs/dbraw/zinc/17/48/24/359174824.db2.gz DPFABESGUMDPHH-WCQYABFASA-N 3 2 264.373 0.243 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCn2ccnc2C1)C1CC1 ZINC000584586512 359174831 /nfs/dbraw/zinc/17/48/31/359174831.db2.gz DPFABESGUMDPHH-WCQYABFASA-N 2 2 264.373 0.243 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCn2ccnc2C1)C1CC1 ZINC000584586512 359174836 /nfs/dbraw/zinc/17/48/36/359174836.db2.gz DPFABESGUMDPHH-WCQYABFASA-N 2 2 264.373 0.243 20 0 CCADLP CC(C)(C)[C@@H](C[NH3+])NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000584843225 359217400 /nfs/dbraw/zinc/21/74/00/359217400.db2.gz MIYSJBYODCQTED-LLVKDONJSA-N 2 2 288.355 0.766 20 0 CCADLP CC[NH+]1CCN([C@@H](C)CNc2[nH+]cnc3[nH]ccc32)CC1 ZINC000588896898 359346981 /nfs/dbraw/zinc/34/69/81/359346981.db2.gz YLNOSRRJTOCNQO-LBPRGKRZSA-N 2 2 288.399 0.818 20 0 CCADLP [NH3+][C@H](C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1cscn1 ZINC000562976165 291176578 /nfs/dbraw/zinc/17/65/78/291176578.db2.gz XAIJHMPWYQDCNB-WYFGTUCQSA-N 2 2 280.397 0.729 20 0 CCADLP C[NH+](C)CC1CC[NH+](CC(=O)Nc2ccon2)CC1 ZINC000590125457 359427189 /nfs/dbraw/zinc/42/71/89/359427189.db2.gz SMXYVWADJITJBO-UHFFFAOYSA-N 2 2 266.345 0.309 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)CSC ZINC000562983675 291177885 /nfs/dbraw/zinc/17/78/85/291177885.db2.gz CZKIYBZRBMAIPF-RYUDHWBXSA-N 2 2 262.419 0.411 20 0 CCADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)CSC ZINC000562983675 291177889 /nfs/dbraw/zinc/17/78/89/291177889.db2.gz CZKIYBZRBMAIPF-RYUDHWBXSA-N 2 2 262.419 0.411 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CC[C@@H]2CCOC2)C[C@H](C)O1 ZINC000563013273 291181279 /nfs/dbraw/zinc/18/12/79/291181279.db2.gz HKHRTWCJWJTUPS-LXTVHRRPSA-N 2 2 286.416 0.473 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CC[C@@H]2CCOC2)C[C@H](C)O1 ZINC000563013273 291181281 /nfs/dbraw/zinc/18/12/81/291181281.db2.gz HKHRTWCJWJTUPS-LXTVHRRPSA-N 2 2 286.416 0.473 20 0 CCADLP COC(=O)[C@@H]([N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1(OC)CCC1 ZINC000590951461 359541415 /nfs/dbraw/zinc/54/14/15/359541415.db2.gz QMNQIKFZFIBZDF-GRYCIOLGSA-N 2 2 268.357 0.248 20 0 CCADLP COC(=O)[C@@H]([N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1(OC)CCC1 ZINC000590951461 359541419 /nfs/dbraw/zinc/54/14/19/359541419.db2.gz QMNQIKFZFIBZDF-GRYCIOLGSA-N 2 2 268.357 0.248 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)n1C ZINC000563021944 291182452 /nfs/dbraw/zinc/18/24/52/291182452.db2.gz DORBDZLFUAYNKT-LLVKDONJSA-N 2 2 274.372 0.856 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)CCCn1cc[nH+]c1 ZINC000591200037 359568174 /nfs/dbraw/zinc/56/81/74/359568174.db2.gz APSQDCVJMWUSAH-UHFFFAOYSA-N 2 2 294.399 0.890 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)CCCn1cc[nH+]c1 ZINC000591200037 359568178 /nfs/dbraw/zinc/56/81/78/359568178.db2.gz APSQDCVJMWUSAH-UHFFFAOYSA-N 2 2 294.399 0.890 20 0 CCADLP CC(C)SCCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000591357957 359582716 /nfs/dbraw/zinc/58/27/16/359582716.db2.gz DOINCOZMTCTWSI-LLVKDONJSA-N 2 2 274.434 0.412 20 0 CCADLP C[N@@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC000591643311 359625172 /nfs/dbraw/zinc/62/51/72/359625172.db2.gz YWQDGRNABFLYEU-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP C[N@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC000591643311 359625179 /nfs/dbraw/zinc/62/51/79/359625179.db2.gz YWQDGRNABFLYEU-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCCC[N@@H+](C)CCN(C)C ZINC000296970131 200049531 /nfs/dbraw/zinc/04/95/31/200049531.db2.gz BPARRYIEIKGJBQ-UHFFFAOYSA-N 2 2 281.404 0.191 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCCC[N@H+](C)CCN(C)C ZINC000296970131 200049532 /nfs/dbraw/zinc/04/95/32/200049532.db2.gz BPARRYIEIKGJBQ-UHFFFAOYSA-N 2 2 281.404 0.191 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCCCN(C)CC[NH+](C)C ZINC000296970131 200049533 /nfs/dbraw/zinc/04/95/33/200049533.db2.gz BPARRYIEIKGJBQ-UHFFFAOYSA-N 2 2 281.404 0.191 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)NC1CCOCC1 ZINC000591869467 359670353 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CCADLP CCn1cc[nH+]c1CNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000298024873 200319017 /nfs/dbraw/zinc/31/90/17/200319017.db2.gz GBYSRBFOSUKUKN-UHFFFAOYSA-N 2 2 277.372 0.893 20 0 CCADLP COC(=O)c1[nH]c(C)cc1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593903783 360202189 /nfs/dbraw/zinc/20/21/89/360202189.db2.gz NSHAKFVIMBSVIX-SECBINFHSA-N 2 2 282.344 0.327 20 0 CCADLP CC(C)(O)C[NH+]1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000563372949 291218866 /nfs/dbraw/zinc/21/88/66/291218866.db2.gz DCWPHNDJCPRHOA-UHFFFAOYSA-N 2 2 283.416 0.243 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000594178070 360255548 /nfs/dbraw/zinc/25/55/48/360255548.db2.gz WELQFVWQIDSNEK-CYBMUJFWSA-N 2 2 261.325 0.765 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000594178070 360255553 /nfs/dbraw/zinc/25/55/53/360255553.db2.gz WELQFVWQIDSNEK-CYBMUJFWSA-N 2 2 261.325 0.765 20 0 CCADLP CCOC(=O)COCC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000593968724 360225020 /nfs/dbraw/zinc/22/50/20/360225020.db2.gz 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COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000594940430 360421150 /nfs/dbraw/zinc/42/11/50/360421150.db2.gz CFGNGQZPXMGROC-XJFOESAGSA-N 2 2 284.400 0.620 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000594940430 360421156 /nfs/dbraw/zinc/42/11/56/360421156.db2.gz CFGNGQZPXMGROC-XJFOESAGSA-N 2 2 284.400 0.620 20 0 CCADLP Cc1c[nH+]c(C)nc1NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000563425733 291228009 /nfs/dbraw/zinc/22/80/09/291228009.db2.gz QRQMXVAQMOOBER-BETUJISGSA-N 2 2 262.357 0.790 20 0 CCADLP Cc1c[nH+]c(C)nc1NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000563425733 291228011 /nfs/dbraw/zinc/22/80/11/291228011.db2.gz QRQMXVAQMOOBER-BETUJISGSA-N 2 2 262.357 0.790 20 0 CCADLP O=C1NCC[C@H]1[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000178204233 189097875 /nfs/dbraw/zinc/09/78/75/189097875.db2.gz PXJDCMGLEBTCGY-NWDGAFQWSA-N 2 2 260.341 0.704 20 0 CCADLP O=C1NCC[C@H]1[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000178204233 189097876 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C[C@H]([NH3+])CCNC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000178687129 189137799 /nfs/dbraw/zinc/13/77/99/189137799.db2.gz JOYMFCWBBVMQNM-JTQLQIEISA-N 2 2 259.313 0.734 20 0 CCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000178889871 189152550 /nfs/dbraw/zinc/15/25/50/189152550.db2.gz MAWHBIPVYYZZCF-HIFRSBDPSA-N 2 2 288.395 0.896 20 0 CCADLP [NH3+][C@H](CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)C1CC1 ZINC000563898364 291257948 /nfs/dbraw/zinc/25/79/48/291257948.db2.gz GATKRDGDWLJYQA-LLVKDONJSA-N 2 2 287.323 0.126 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000564035380 291263213 /nfs/dbraw/zinc/26/32/13/291263213.db2.gz HILYJNWLVWHVQE-MRXNPFEDSA-N 2 2 293.411 0.827 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000564035380 291263214 /nfs/dbraw/zinc/26/32/14/291263214.db2.gz HILYJNWLVWHVQE-MRXNPFEDSA-N 2 2 293.411 0.827 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccccn2)C[C@@H]1C[NH3+] ZINC000631828092 370694904 /nfs/dbraw/zinc/69/49/04/370694904.db2.gz FCSZQTDTZAOGOO-NEPJUHHUSA-N 2 2 262.357 0.937 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccn2)C[C@@H]1C[NH3+] ZINC000631828092 370694910 /nfs/dbraw/zinc/69/49/10/370694910.db2.gz FCSZQTDTZAOGOO-NEPJUHHUSA-N 2 2 262.357 0.937 20 0 CCADLP C[C@H]1CC[N@H+](CCNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000611750133 363776019 /nfs/dbraw/zinc/77/60/19/363776019.db2.gz ODZMNFWRTCKWAM-NWDGAFQWSA-N 2 2 276.384 0.973 20 0 CCADLP C[C@H]1CC[N@@H+](CCNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000611750133 363776021 /nfs/dbraw/zinc/77/60/21/363776021.db2.gz ODZMNFWRTCKWAM-NWDGAFQWSA-N 2 2 276.384 0.973 20 0 CCADLP C[C@H]1CC[N@H+](CCNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000611750133 363776022 /nfs/dbraw/zinc/77/60/22/363776022.db2.gz ODZMNFWRTCKWAM-NWDGAFQWSA-N 2 2 276.384 0.973 20 0 CCADLP C[C@H]1CC[N@@H+](CCNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000611750133 363776024 /nfs/dbraw/zinc/77/60/24/363776024.db2.gz ODZMNFWRTCKWAM-NWDGAFQWSA-N 2 2 276.384 0.973 20 0 CCADLP C(c1nc(C2CCC2)no1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000631827817 370695286 /nfs/dbraw/zinc/69/52/86/370695286.db2.gz XCVBLECLUAYQRA-CYBMUJFWSA-N 2 2 291.399 0.817 20 0 CCADLP C(c1nc(C2CCC2)no1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000631827817 370695289 /nfs/dbraw/zinc/69/52/89/370695289.db2.gz XCVBLECLUAYQRA-CYBMUJFWSA-N 2 2 291.399 0.817 20 0 CCADLP CN(CC[NH+](C)C)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000611827529 363790714 /nfs/dbraw/zinc/79/07/14/363790714.db2.gz WQVUMAUSXHEGDM-SNVBAGLBSA-N 2 2 250.346 0.535 20 0 CCADLP CN(CC[NH+](C)C)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000611827529 363790717 /nfs/dbraw/zinc/79/07/17/363790717.db2.gz WQVUMAUSXHEGDM-SNVBAGLBSA-N 2 2 250.346 0.535 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CC(C)(C)CC[C@@H]1CO)C1CC1 ZINC000621381584 366758287 /nfs/dbraw/zinc/75/82/87/366758287.db2.gz XIINQUSMRGHSKL-KGLIPLIRSA-N 2 2 270.417 0.924 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CC(C)(C)CC[C@@H]1CO)C1CC1 ZINC000621381584 366758292 /nfs/dbraw/zinc/75/82/92/366758292.db2.gz XIINQUSMRGHSKL-KGLIPLIRSA-N 2 2 270.417 0.924 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CC(C)(C)CC[C@@H]1CO)C1CC1 ZINC000621381584 366758298 /nfs/dbraw/zinc/75/82/98/366758298.db2.gz XIINQUSMRGHSKL-KGLIPLIRSA-N 2 2 270.417 0.924 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CC(C)(C)CC[C@@H]1CO)C1CC1 ZINC000621381584 366758304 /nfs/dbraw/zinc/75/83/04/366758304.db2.gz XIINQUSMRGHSKL-KGLIPLIRSA-N 2 2 270.417 0.924 20 0 CCADLP CN(C)c1cc[nH+]c(N2CC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000301675235 201131443 /nfs/dbraw/zinc/13/14/43/201131443.db2.gz HHFNDNJKSKBUET-CYBMUJFWSA-N 2 2 291.399 0.701 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CC(=O)OCC)C1 ZINC000599308225 361645000 /nfs/dbraw/zinc/64/50/00/361645000.db2.gz REHLHWSQAUXHGD-UONOGXRCSA-N 2 2 286.416 0.964 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CC(=O)OCC)C1 ZINC000599308225 361645005 /nfs/dbraw/zinc/64/50/05/361645005.db2.gz REHLHWSQAUXHGD-UONOGXRCSA-N 2 2 286.416 0.964 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)CC(=O)OCC)C1 ZINC000599308225 361645007 /nfs/dbraw/zinc/64/50/07/361645007.db2.gz REHLHWSQAUXHGD-UONOGXRCSA-N 2 2 286.416 0.964 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)CC(=O)OCC)C1 ZINC000599308225 361645011 /nfs/dbraw/zinc/64/50/11/361645011.db2.gz REHLHWSQAUXHGD-UONOGXRCSA-N 2 2 286.416 0.964 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000599291181 361636822 /nfs/dbraw/zinc/63/68/22/361636822.db2.gz MQNUZXPKXVTGGQ-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000599291181 361636827 /nfs/dbraw/zinc/63/68/27/361636827.db2.gz MQNUZXPKXVTGGQ-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP CCOC(=O)C[C@@H](O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000599328878 361653951 /nfs/dbraw/zinc/65/39/51/361653951.db2.gz APWNYUTWBOUSQN-VXGBXAGGSA-N 2 2 281.356 0.903 20 0 CCADLP CCOC(=O)C[C@@H](O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000599328878 361653958 /nfs/dbraw/zinc/65/39/58/361653958.db2.gz APWNYUTWBOUSQN-VXGBXAGGSA-N 2 2 281.356 0.903 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC(=O)NC(=O)NC1CCCC1 ZINC000564717724 291295065 /nfs/dbraw/zinc/29/50/65/291295065.db2.gz KHEQVZRBISESJM-SUNKGSAMSA-N 2 2 296.415 0.731 20 0 CCADLP C[NH+]1CCC(CCO)(NC(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000564737003 291297169 /nfs/dbraw/zinc/29/71/69/291297169.db2.gz QZACRDKCFIYDJU-UHFFFAOYSA-N 2 2 283.416 0.291 20 0 CCADLP C[C@]1(NC(=O)NCCc2cn3ccccc3[nH+]2)CC[NH2+]C1 ZINC000612863878 364025020 /nfs/dbraw/zinc/02/50/20/364025020.db2.gz BPYXJFYVFSONED-HNNXBMFYSA-N 2 2 287.367 0.928 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000613170022 364139700 /nfs/dbraw/zinc/13/97/00/364139700.db2.gz ZGZMLUJSSNPRKZ-LBPRGKRZSA-N 2 2 276.384 0.998 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000613170022 364139705 /nfs/dbraw/zinc/13/97/05/364139705.db2.gz ZGZMLUJSSNPRKZ-LBPRGKRZSA-N 2 2 276.384 0.998 20 0 CCADLP c1cnc(CCN2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)cn1 ZINC000631874100 370731901 /nfs/dbraw/zinc/73/19/01/370731901.db2.gz XJGLVRGWQGQMQP-HNNXBMFYSA-N 2 2 289.427 0.636 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631844340 370710800 /nfs/dbraw/zinc/71/08/00/370710800.db2.gz WNGQCRDUGRBXRX-GMTAPVOTSA-N 2 2 263.345 0.330 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631844340 370710803 /nfs/dbraw/zinc/71/08/03/370710803.db2.gz WNGQCRDUGRBXRX-GMTAPVOTSA-N 2 2 263.345 0.330 20 0 CCADLP O=C(C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2)NCC1CCC1 ZINC000631868107 370727315 /nfs/dbraw/zinc/72/73/15/370727315.db2.gz XGHRYCIEVJCVOR-OCCSQVGLSA-N 2 2 251.374 0.634 20 0 CCADLP O=C(C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2)NC1CCOCC1 ZINC000631868282 370728498 /nfs/dbraw/zinc/72/84/98/370728498.db2.gz CGIBMIKXWKWMLH-RISCZKNCSA-N 2 2 267.373 0.013 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H](O)COc1ccccc1 ZINC000564824417 291303426 /nfs/dbraw/zinc/30/34/26/291303426.db2.gz ADXCVLOYWRSHSQ-ILXRZTDVSA-N 2 2 294.395 0.783 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)NC1CCOCC1 ZINC000631885830 370736954 /nfs/dbraw/zinc/73/69/54/370736954.db2.gz BOKOTUDQYIVHAI-OCCSQVGLSA-N 2 2 281.400 0.356 20 0 CCADLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)NC1CCOCC1 ZINC000631885830 370736958 /nfs/dbraw/zinc/73/69/58/370736958.db2.gz BOKOTUDQYIVHAI-OCCSQVGLSA-N 2 2 281.400 0.356 20 0 CCADLP c1nc2n(n1)[C@H](C[N@@H+]1CCC[C@@H]3C[NH2+]CC[C@@H]31)CC2 ZINC000631890321 370739261 /nfs/dbraw/zinc/73/92/61/370739261.db2.gz OUKDVXYVEILYTA-AGIUHOORSA-N 2 2 261.373 0.839 20 0 CCADLP c1nc2n(n1)[C@H](C[N@H+]1CCC[C@@H]3C[NH2+]CC[C@@H]31)CC2 ZINC000631890321 370739266 /nfs/dbraw/zinc/73/92/66/370739266.db2.gz OUKDVXYVEILYTA-AGIUHOORSA-N 2 2 261.373 0.839 20 0 CCADLP CC(C)(C(=O)NCCNc1cc[nH+]cc1)c1c[nH]c[nH+]1 ZINC000621678294 366829627 /nfs/dbraw/zinc/82/96/27/366829627.db2.gz OMQDTCNSBIZFTC-UHFFFAOYSA-N 2 2 273.340 0.733 20 0 CCADLP CN(C)[C@H](C(=O)N1CCC2(C[NH+](C)C2)C1)c1c[nH+]cn1C ZINC000614034829 364469046 /nfs/dbraw/zinc/46/90/46/364469046.db2.gz OLZVRNSHIIBNIW-ZDUSSCGKSA-N 2 2 291.399 0.187 20 0 CCADLP Cn1cc(N2CC[C@H]([N@@H+]3C[C@@H]4CCC[C@]4([NH3+])C3)C2=O)cn1 ZINC000621782134 366865897 /nfs/dbraw/zinc/86/58/97/366865897.db2.gz MVTMVUDFIMIUGD-WHOFXGATSA-N 2 2 289.383 0.339 20 0 CCADLP Cn1cc(N2CC[C@H]([N@H+]3C[C@@H]4CCC[C@]4([NH3+])C3)C2=O)cn1 ZINC000621782134 366865903 /nfs/dbraw/zinc/86/59/03/366865903.db2.gz MVTMVUDFIMIUGD-WHOFXGATSA-N 2 2 289.383 0.339 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@H](C)C3C[NH2+]C3)CC2)cc[nH+]1 ZINC000564940213 291321585 /nfs/dbraw/zinc/32/15/85/291321585.db2.gz LZZUYADWUWWIEH-LLVKDONJSA-N 2 2 289.383 0.289 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@@H](O)C2CCC2)C[C@H](C)O1 ZINC000564975615 291329079 /nfs/dbraw/zinc/32/90/79/291329079.db2.gz PVZHIZFXJPIILM-AYRXBEOTSA-N 2 2 286.416 0.207 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@@H](O)C2CCC2)C[C@H](C)O1 ZINC000564975615 291329082 /nfs/dbraw/zinc/32/90/82/291329082.db2.gz PVZHIZFXJPIILM-AYRXBEOTSA-N 2 2 286.416 0.207 20 0 CCADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC1(CS(C)(=O)=O)CC1 ZINC000564987912 291331753 /nfs/dbraw/zinc/33/17/53/291331753.db2.gz VYBCZPSEEPYDOB-WDEREUQCSA-N 2 2 260.403 0.480 20 0 CCADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC1(CS(C)(=O)=O)CC1 ZINC000564987912 291331755 /nfs/dbraw/zinc/33/17/55/291331755.db2.gz VYBCZPSEEPYDOB-WDEREUQCSA-N 2 2 260.403 0.480 20 0 CCADLP C[NH+](C)C1(C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000615858596 365115631 /nfs/dbraw/zinc/11/56/31/365115631.db2.gz VJAVBKMIISUKLR-TXEJJXNPSA-N 2 2 267.373 0.060 20 0 CCADLP C[NH+](C)C1(C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000615858596 365115634 /nfs/dbraw/zinc/11/56/34/365115634.db2.gz VJAVBKMIISUKLR-TXEJJXNPSA-N 2 2 267.373 0.060 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1[C@@H](C)O ZINC000565162600 291349904 /nfs/dbraw/zinc/34/99/04/291349904.db2.gz JHGJOEUYHTUMBD-HZSPNIEDSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1[C@@H](C)O ZINC000565162600 291349905 /nfs/dbraw/zinc/34/99/05/291349905.db2.gz JHGJOEUYHTUMBD-HZSPNIEDSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H](C)O ZINC000565162600 291349908 /nfs/dbraw/zinc/34/99/08/291349908.db2.gz JHGJOEUYHTUMBD-HZSPNIEDSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H](C)O ZINC000565162600 291349910 /nfs/dbraw/zinc/34/99/10/291349910.db2.gz JHGJOEUYHTUMBD-HZSPNIEDSA-N 2 2 274.405 0.161 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000565167851 291350798 /nfs/dbraw/zinc/35/07/98/291350798.db2.gz ZWWGDOKLZCTXKC-DCAQKATOSA-N 2 2 284.322 0.687 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000565167851 291350799 /nfs/dbraw/zinc/35/07/99/291350799.db2.gz ZWWGDOKLZCTXKC-DCAQKATOSA-N 2 2 284.322 0.687 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000565167851 291350802 /nfs/dbraw/zinc/35/08/02/291350802.db2.gz ZWWGDOKLZCTXKC-DCAQKATOSA-N 2 2 284.322 0.687 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000565167851 291350804 /nfs/dbraw/zinc/35/08/04/291350804.db2.gz ZWWGDOKLZCTXKC-DCAQKATOSA-N 2 2 284.322 0.687 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000565166752 291350867 /nfs/dbraw/zinc/35/08/67/291350867.db2.gz UQDZRCHHTFNCDD-RRFJBIMHSA-N 2 2 286.416 0.569 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000565166752 291350868 /nfs/dbraw/zinc/35/08/68/291350868.db2.gz UQDZRCHHTFNCDD-RRFJBIMHSA-N 2 2 286.416 0.569 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000565166752 291350869 /nfs/dbraw/zinc/35/08/69/291350869.db2.gz UQDZRCHHTFNCDD-RRFJBIMHSA-N 2 2 286.416 0.569 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000565166752 291350871 /nfs/dbraw/zinc/35/08/71/291350871.db2.gz UQDZRCHHTFNCDD-RRFJBIMHSA-N 2 2 286.416 0.569 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)[NH+](C)C ZINC000616489006 365338962 /nfs/dbraw/zinc/33/89/62/365338962.db2.gz HOXQLWFPLFXCFP-VHSXEESVSA-N 2 2 250.346 0.581 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)[NH+](C)C ZINC000616489006 365338967 /nfs/dbraw/zinc/33/89/67/365338967.db2.gz HOXQLWFPLFXCFP-VHSXEESVSA-N 2 2 250.346 0.581 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000616867825 365464965 /nfs/dbraw/zinc/46/49/65/365464965.db2.gz ACVUORDNCYSTPQ-CYBMUJFWSA-N 2 2 296.415 0.936 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000616867825 365464968 /nfs/dbraw/zinc/46/49/68/365464968.db2.gz ACVUORDNCYSTPQ-CYBMUJFWSA-N 2 2 296.415 0.936 20 0 CCADLP CC[N@@H+]1CCO[C@@H](CNC(=O)C(C)(C)c2c[nH]c[nH+]2)C1 ZINC000621871789 366903788 /nfs/dbraw/zinc/90/37/88/366903788.db2.gz YYTKHVMXBVPPFJ-NSHDSACASA-N 2 2 280.372 0.524 20 0 CCADLP CC[N@H+]1CCO[C@@H](CNC(=O)C(C)(C)c2c[nH]c[nH+]2)C1 ZINC000621871789 366903790 /nfs/dbraw/zinc/90/37/90/366903790.db2.gz YYTKHVMXBVPPFJ-NSHDSACASA-N 2 2 280.372 0.524 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CCC(=O)N2CCOCC2)n1C ZINC000565241198 291366095 /nfs/dbraw/zinc/36/60/95/291366095.db2.gz ANZOGHDYICYAIK-UHFFFAOYSA-N 2 2 266.345 0.067 20 0 CCADLP C[NH+](C)C1CC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000622009250 366978981 /nfs/dbraw/zinc/97/89/81/366978981.db2.gz OOOVPTSPUJVMFU-UNXYVOJBSA-N 2 2 262.357 0.654 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@H](O)COCc1ccccc1 ZINC000565302211 291370161 /nfs/dbraw/zinc/37/01/61/291370161.db2.gz AWJZEMHJHYTPLV-CABCVRRESA-N 2 2 282.384 0.076 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H](Nc2nc[nH+]c(N)c2OC)C1 ZINC000656144469 412750067 /nfs/dbraw/zinc/75/00/67/412750067.db2.gz CRUYKRCRWMVJRW-DTWKUNHWSA-N 2 2 251.334 0.820 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H](Nc2nc[nH+]c(N)c2OC)C1 ZINC000656144469 412750072 /nfs/dbraw/zinc/75/00/72/412750072.db2.gz CRUYKRCRWMVJRW-DTWKUNHWSA-N 2 2 251.334 0.820 20 0 CCADLP C[NH+](C)C1(CNC(=O)C(C)(C)c2c[nH]c[nH+]2)CC1 ZINC000622110284 367037608 /nfs/dbraw/zinc/03/76/08/367037608.db2.gz VDEQFLORKVNJDJ-UHFFFAOYSA-N 2 2 250.346 0.898 20 0 CCADLP C[C@@H](C(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1)C1C[NH2+]C1 ZINC000566197529 291373839 /nfs/dbraw/zinc/37/38/39/291373839.db2.gz HQVBRVWZWKPCLY-IUODEOHRSA-N 2 2 295.427 0.411 20 0 CCADLP C[C@@H](C(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1)C1C[NH2+]C1 ZINC000566197529 291373841 /nfs/dbraw/zinc/37/38/41/291373841.db2.gz HQVBRVWZWKPCLY-IUODEOHRSA-N 2 2 295.427 0.411 20 0 CCADLP C[C@]1(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)CC2)CC[NH2+]C1 ZINC000262084048 291380480 /nfs/dbraw/zinc/38/04/80/291380480.db2.gz UCISXEYVEWGKLK-OLZOCXBDSA-N 2 2 274.430 0.885 20 0 CCADLP C[C@]1(C[N@H+]2CCC[C@@H](S(C)(=O)=O)CC2)CC[NH2+]C1 ZINC000262084048 291380483 /nfs/dbraw/zinc/38/04/83/291380483.db2.gz UCISXEYVEWGKLK-OLZOCXBDSA-N 2 2 274.430 0.885 20 0 CCADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)CC(F)(F)F ZINC000566231957 291380566 /nfs/dbraw/zinc/38/05/66/291380566.db2.gz WIJOTZSBUOYLKK-QWRGUYRKSA-N 2 2 284.322 0.736 20 0 CCADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)CC(F)(F)F ZINC000566231957 291380568 /nfs/dbraw/zinc/38/05/68/291380568.db2.gz WIJOTZSBUOYLKK-QWRGUYRKSA-N 2 2 284.322 0.736 20 0 CCADLP C1C[NH2+]C[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000566230176 291379823 /nfs/dbraw/zinc/37/98/23/291379823.db2.gz OLVZTEGNJXOGDT-SLTAFYQDSA-N 3 2 266.433 0.544 20 0 CCADLP C1C[NH2+]C[C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C1 ZINC000566230176 291379824 /nfs/dbraw/zinc/37/98/24/291379824.db2.gz OLVZTEGNJXOGDT-SLTAFYQDSA-N 3 2 266.433 0.544 20 0 CCADLP CC1(C)[NH2+]CC[C@H]1NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000623178994 367467704 /nfs/dbraw/zinc/46/77/04/367467704.db2.gz QFVGPWVKGGYOQL-GHMZBOCLSA-N 2 2 262.357 0.702 20 0 CCADLP CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)C1(C[NH3+])CCC1 ZINC000623178948 367467898 /nfs/dbraw/zinc/46/78/98/367467898.db2.gz OQGGUSUKLLXEMN-NSHDSACASA-N 2 2 262.357 0.785 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@@H](C)[NH2+]1 ZINC000623176149 367464239 /nfs/dbraw/zinc/46/42/39/367464239.db2.gz IHTIUFUIUOJAQR-UTUOFQBUSA-N 2 2 262.357 0.654 20 0 CCADLP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623176343 367464421 /nfs/dbraw/zinc/46/44/21/367464421.db2.gz VYCCHDATJKZHKA-SMDDNHRTSA-N 2 2 264.373 0.935 20 0 CCADLP CC(C)[C@H](C(=O)N[C@@H]1CCn2c[nH+]cc2C1)[NH+](C)C ZINC000623305231 367526545 /nfs/dbraw/zinc/52/65/45/367526545.db2.gz OCZGCMLIZSXYSV-DGCLKSJQSA-N 2 2 264.373 0.900 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000623340414 367541179 /nfs/dbraw/zinc/54/11/79/367541179.db2.gz XPABRQSFNWHJDH-AWEZNQCLSA-N 2 2 283.416 0.650 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000623340414 367541193 /nfs/dbraw/zinc/54/11/93/367541193.db2.gz XPABRQSFNWHJDH-AWEZNQCLSA-N 2 2 283.416 0.650 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NCC[NH+](C)C)CC2 ZINC000623370470 367548891 /nfs/dbraw/zinc/54/88/91/367548891.db2.gz MDSAMSNRJKSJCW-LLVKDONJSA-N 2 2 250.346 0.432 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623270485 367505717 /nfs/dbraw/zinc/50/57/17/367505717.db2.gz HKLDRIQPLQOZLZ-DGCLKSJQSA-N 2 2 262.357 0.798 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000623270485 367505724 /nfs/dbraw/zinc/50/57/24/367505724.db2.gz HKLDRIQPLQOZLZ-DGCLKSJQSA-N 2 2 262.357 0.798 20 0 CCADLP CCn1nccc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000623619258 367606592 /nfs/dbraw/zinc/60/65/92/367606592.db2.gz YYLBNRWTWFBVDE-ZDUSSCGKSA-N 2 2 279.388 0.332 20 0 CCADLP CCn1nccc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000623619258 367606598 /nfs/dbraw/zinc/60/65/98/367606598.db2.gz YYLBNRWTWFBVDE-ZDUSSCGKSA-N 2 2 279.388 0.332 20 0 CCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623707570 367625394 /nfs/dbraw/zinc/62/53/94/367625394.db2.gz DLYJPNARXFMKIJ-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623707570 367625400 /nfs/dbraw/zinc/62/54/00/367625400.db2.gz DLYJPNARXFMKIJ-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP O=C([C@H]1CCCCC[NH2+]1)N1CC[NH+](C2CC2)CC1 ZINC000080997066 296102426 /nfs/dbraw/zinc/10/24/26/296102426.db2.gz OKUBHHAONDUCOA-CYBMUJFWSA-N 2 2 251.374 0.825 20 0 CCADLP CC(C)[C@@H]1C[C@H]([NH2+]CC[N@@H+]2CC[C@@H](O)C2)CCO1 ZINC000623758684 367646997 /nfs/dbraw/zinc/64/69/97/367646997.db2.gz KTEVUOQRGKFXLR-MCIONIFRSA-N 2 2 256.390 0.846 20 0 CCADLP CC(C)[C@@H]1C[C@H]([NH2+]CC[N@H+]2CC[C@@H](O)C2)CCO1 ZINC000623758684 367646999 /nfs/dbraw/zinc/64/69/99/367646999.db2.gz KTEVUOQRGKFXLR-MCIONIFRSA-N 2 2 256.390 0.846 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000623717235 367631282 /nfs/dbraw/zinc/63/12/82/367631282.db2.gz QOGBLTKCCCOTIU-ZIAGYGMSSA-N 2 2 298.431 0.347 20 0 CCADLP CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000623717235 367631287 /nfs/dbraw/zinc/63/12/87/367631287.db2.gz QOGBLTKCCCOTIU-ZIAGYGMSSA-N 2 2 298.431 0.347 20 0 CCADLP CC(C)[NH+]1CC[C@H](CNC(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000623717235 367631292 /nfs/dbraw/zinc/63/12/92/367631292.db2.gz QOGBLTKCCCOTIU-ZIAGYGMSSA-N 2 2 298.431 0.347 20 0 CCADLP CC(C)[NH+]1CC[C@H](CNC(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000623717235 367631294 /nfs/dbraw/zinc/63/12/94/367631294.db2.gz QOGBLTKCCCOTIU-ZIAGYGMSSA-N 2 2 298.431 0.347 20 0 CCADLP Nc1nc(N2CC[NH+](Cc3ccccc3)CC2)nc(N)[nH+]1 ZINC000623788399 367657977 /nfs/dbraw/zinc/65/79/77/367657977.db2.gz ZDOOSAAWPBLYJN-UHFFFAOYSA-N 2 2 285.355 0.019 20 0 CCADLP Cn1nccc1[C@H](CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000624020867 367727018 /nfs/dbraw/zinc/72/70/18/367727018.db2.gz YJMNTNABICZGBU-UPJWGTAASA-N 2 2 264.373 0.670 20 0 CCADLP Cn1nccc1[C@H](CO)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000624020867 367727027 /nfs/dbraw/zinc/72/70/27/367727027.db2.gz YJMNTNABICZGBU-UPJWGTAASA-N 2 2 264.373 0.670 20 0 CCADLP Cn1nccc1[C@H](CO)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000624020868 367727143 /nfs/dbraw/zinc/72/71/43/367727143.db2.gz YJMNTNABICZGBU-XQQFMLRXSA-N 2 2 264.373 0.670 20 0 CCADLP Cn1nccc1[C@H](CO)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000624020868 367727149 /nfs/dbraw/zinc/72/71/49/367727149.db2.gz YJMNTNABICZGBU-XQQFMLRXSA-N 2 2 264.373 0.670 20 0 CCADLP Cc1n[nH]cc1[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624085262 367747077 /nfs/dbraw/zinc/74/70/77/367747077.db2.gz IYJFTTVNECORRS-MFKMUULPSA-N 2 2 279.388 0.709 20 0 CCADLP Cc1n[nH]cc1[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624085262 367747085 /nfs/dbraw/zinc/74/70/85/367747085.db2.gz IYJFTTVNECORRS-MFKMUULPSA-N 2 2 279.388 0.709 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)[C@H]1CCCOC1 ZINC000624085896 367749987 /nfs/dbraw/zinc/74/99/87/367749987.db2.gz IFPGJFFJMRAJRN-RDBSUJKOSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)[C@H]1CCCOC1 ZINC000624085896 367749989 /nfs/dbraw/zinc/74/99/89/367749989.db2.gz IFPGJFFJMRAJRN-RDBSUJKOSA-N 2 2 283.416 0.731 20 0 CCADLP O[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCc3cccnc3CC2)C1 ZINC000624231377 367797468 /nfs/dbraw/zinc/79/74/68/367797468.db2.gz XXNKMGFDSIXPCZ-LSDHHAIUSA-N 2 2 275.396 0.985 20 0 CCADLP O[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCc3cccnc3CC2)C1 ZINC000624231377 367797473 /nfs/dbraw/zinc/79/74/73/367797473.db2.gz XXNKMGFDSIXPCZ-LSDHHAIUSA-N 2 2 275.396 0.985 20 0 CCADLP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624333568 367835863 /nfs/dbraw/zinc/83/58/63/367835863.db2.gz RVNPBALVOGLHOQ-GJZGRUSLSA-N 2 2 297.443 0.824 20 0 CCADLP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624333568 367835869 /nfs/dbraw/zinc/83/58/69/367835869.db2.gz RVNPBALVOGLHOQ-GJZGRUSLSA-N 2 2 297.443 0.824 20 0 CCADLP O[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCc3cccnc3CC2)C1 ZINC000624340090 367840083 /nfs/dbraw/zinc/84/00/83/367840083.db2.gz XXNKMGFDSIXPCZ-CABCVRRESA-N 2 2 275.396 0.985 20 0 CCADLP O[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCc3cccnc3CC2)C1 ZINC000624340090 367840086 /nfs/dbraw/zinc/84/00/86/367840086.db2.gz XXNKMGFDSIXPCZ-CABCVRRESA-N 2 2 275.396 0.985 20 0 CCADLP O[C@H]1CC[N@H+](CCNc2cc(NCC3CC3)[nH+]cn2)C1 ZINC000624775539 367990499 /nfs/dbraw/zinc/99/04/99/367990499.db2.gz YVFNIDOCFDXWTQ-LBPRGKRZSA-N 2 2 277.372 0.199 20 0 CCADLP O[C@H]1CC[N@@H+](CCNc2cc(NCC3CC3)[nH+]cn2)C1 ZINC000624775539 367990509 /nfs/dbraw/zinc/99/05/09/367990509.db2.gz YVFNIDOCFDXWTQ-LBPRGKRZSA-N 2 2 277.372 0.199 20 0 CCADLP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000624731163 367971722 /nfs/dbraw/zinc/97/17/22/367971722.db2.gz FVIBPFRINIYOKE-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000624731163 367971726 /nfs/dbraw/zinc/97/17/26/367971726.db2.gz FVIBPFRINIYOKE-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP OCc1ccc(F)c(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000625096959 368062346 /nfs/dbraw/zinc/06/23/46/368062346.db2.gz HPXZSGKRXFHLJI-CHWSQXEVSA-N 2 2 250.317 0.969 20 0 CCADLP COc1cncc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)n1 ZINC000625164432 368088012 /nfs/dbraw/zinc/08/80/12/368088012.db2.gz DSXRMXFWZXSMRZ-NSHDSACASA-N 2 2 250.346 0.869 20 0 CCADLP COc1cncc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)n1 ZINC000625164432 368088017 /nfs/dbraw/zinc/08/80/17/368088017.db2.gz DSXRMXFWZXSMRZ-NSHDSACASA-N 2 2 250.346 0.869 20 0 CCADLP Cc1nccnc1[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000275945814 193171098 /nfs/dbraw/zinc/17/10/98/193171098.db2.gz ZXBLDQCVSVWRNW-QWHCGFSZSA-N 2 2 264.373 0.892 20 0 CCADLP O=C1CCCN1CCC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625551021 368243009 /nfs/dbraw/zinc/24/30/09/368243009.db2.gz BZYLJMVLOSTUPC-UHFFFAOYSA-N 2 2 295.427 0.796 20 0 CCADLP c1cn(CCC[NH+]2CCN(Cc3cn[nH]c3)CC2)c[nH+]1 ZINC000625473982 368216047 /nfs/dbraw/zinc/21/60/47/368216047.db2.gz DSVMUJHIZWUKPF-UHFFFAOYSA-N 2 2 274.372 0.814 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)C3(C)C[NH2+]C3)cn2c1 ZINC000335504075 212185277 /nfs/dbraw/zinc/18/52/77/212185277.db2.gz GWRIUFPHXNCBJM-UHFFFAOYSA-N 2 2 258.325 0.868 20 0 CCADLP Cc1cc(NC(=O)NCC2([NH3+])CCOCC2)c(C)c[nH+]1 ZINC000625874032 368354682 /nfs/dbraw/zinc/35/46/82/368354682.db2.gz NMIJLHZZGXCHDC-UHFFFAOYSA-N 2 2 278.356 0.750 20 0 CCADLP Nc1ncc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)s1 ZINC000566561738 291423515 /nfs/dbraw/zinc/42/35/15/291423515.db2.gz MIDITXRMVYYFHE-SNVBAGLBSA-N 2 2 267.402 0.035 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000330448621 202835128 /nfs/dbraw/zinc/83/51/28/202835128.db2.gz IPVPOOGZPZVBHL-CYBMUJFWSA-N 2 2 280.372 0.142 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCO[C@@H](CC(N)=O)C1 ZINC000626077422 368428820 /nfs/dbraw/zinc/42/88/20/368428820.db2.gz JQIGUJUSYNKZRV-RYUDHWBXSA-N 2 2 255.362 0.047 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCO[C@@H](CC(N)=O)C1 ZINC000626077422 368428827 /nfs/dbraw/zinc/42/88/27/368428827.db2.gz JQIGUJUSYNKZRV-RYUDHWBXSA-N 2 2 255.362 0.047 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626077422 368428829 /nfs/dbraw/zinc/42/88/29/368428829.db2.gz JQIGUJUSYNKZRV-RYUDHWBXSA-N 2 2 255.362 0.047 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626077422 368428837 /nfs/dbraw/zinc/42/88/37/368428837.db2.gz JQIGUJUSYNKZRV-RYUDHWBXSA-N 2 2 255.362 0.047 20 0 CCADLP CC[C@H](C(=O)NCc1c[nH+]c(C)nc1N)[NH+](CC)CC ZINC000566641825 291429264 /nfs/dbraw/zinc/42/92/64/291429264.db2.gz YIVMRDPLSBBNDP-GFCCVEGCSA-N 2 2 279.388 0.934 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC1C[NH+](C(C)C)C1)CC2 ZINC000626516694 368569311 /nfs/dbraw/zinc/56/93/11/368569311.db2.gz ZGHVJLCOPUBZRG-LBPRGKRZSA-N 2 2 276.384 0.963 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000626939718 368689732 /nfs/dbraw/zinc/68/97/32/368689732.db2.gz MOYHUFGWWGDPBQ-GARJFASQSA-N 2 2 251.334 0.321 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)NCCc2cn(C)c[nH+]2)C[NH2+]1 ZINC000627057452 368761093 /nfs/dbraw/zinc/76/10/93/368761093.db2.gz ISEQQUYGFHOGAB-MNOVXSKESA-N 2 2 265.361 0.402 20 0 CCADLP C[NH2+]CCOCCN(C)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000627040348 368750973 /nfs/dbraw/zinc/75/09/73/368750973.db2.gz HTWSDXOVAWJMGS-NSHDSACASA-N 2 2 295.387 0.144 20 0 CCADLP C[NH2+]CCOCCN(C)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000627040348 368750974 /nfs/dbraw/zinc/75/09/74/368750974.db2.gz HTWSDXOVAWJMGS-NSHDSACASA-N 2 2 295.387 0.144 20 0 CCADLP C[NH2+]CCOCCNC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000627118171 368810406 /nfs/dbraw/zinc/81/04/06/368810406.db2.gz SHNHJQOVFGRNQC-JTQLQIEISA-N 2 2 269.349 0.016 20 0 CCADLP C[C@H](NC(=O)NCCOCCC[NH3+])c1[nH+]ccn1C ZINC000627118329 368810695 /nfs/dbraw/zinc/81/06/95/368810695.db2.gz XYEAWDCCQIHJTO-JTQLQIEISA-N 2 2 269.349 0.146 20 0 CCADLP O=C(N[C@@H]1CC[NH2+]C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000627249660 368914764 /nfs/dbraw/zinc/91/47/64/368914764.db2.gz XIJLCXDGYPLZHZ-LLVKDONJSA-N 2 2 263.345 0.661 20 0 CCADLP O=C(N[C@@H]1CC[NH2+]C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000627249660 368914770 /nfs/dbraw/zinc/91/47/70/368914770.db2.gz XIJLCXDGYPLZHZ-LLVKDONJSA-N 2 2 263.345 0.661 20 0 CCADLP C[C@H](CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)n1cc[nH+]c1 ZINC000627656332 369069809 /nfs/dbraw/zinc/06/98/09/369069809.db2.gz CTLPDAHWAWWVGY-NMKXLXIOSA-N 2 2 262.357 0.853 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)C1 ZINC000627764173 369093292 /nfs/dbraw/zinc/09/32/92/369093292.db2.gz UVCITAPUOZDSSB-CHWSQXEVSA-N 2 2 276.384 0.964 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)C1 ZINC000627764173 369093296 /nfs/dbraw/zinc/09/32/96/369093296.db2.gz UVCITAPUOZDSSB-CHWSQXEVSA-N 2 2 276.384 0.964 20 0 CCADLP O[C@@H]1C[C@H]2CN(Cc3cccc4[nH+]ccn43)CC[N@@H+]2C1 ZINC000656273611 412775542 /nfs/dbraw/zinc/77/55/42/412775542.db2.gz LCTWBBWCLSJURN-UONOGXRCSA-N 2 2 272.352 0.585 20 0 CCADLP O[C@@H]1C[C@H]2CN(Cc3cccc4[nH+]ccn43)CC[N@H+]2C1 ZINC000656273611 412775546 /nfs/dbraw/zinc/77/55/46/412775546.db2.gz LCTWBBWCLSJURN-UONOGXRCSA-N 2 2 272.352 0.585 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(Cc2[nH]c(C)c(C)[nH+]2)CC1 ZINC000628186016 369207713 /nfs/dbraw/zinc/20/77/13/369207713.db2.gz URUGKGPYNFBJRL-ZDUSSCGKSA-N 2 2 266.389 0.915 20 0 CCADLP Cc1c[nH]c(CN2CC[N@@H+](C[C@H](C)O)C[C@H]2C)[nH+]1 ZINC000628255318 369224782 /nfs/dbraw/zinc/22/47/82/369224782.db2.gz JFCRDPCXGBQEAZ-NEPJUHHUSA-N 2 2 252.362 0.605 20 0 CCADLP Cc1c[nH]c(CN2CC[N@H+](C[C@H](C)O)C[C@H]2C)[nH+]1 ZINC000628255318 369224784 /nfs/dbraw/zinc/22/47/84/369224784.db2.gz JFCRDPCXGBQEAZ-NEPJUHHUSA-N 2 2 252.362 0.605 20 0 CCADLP COCCOCC[N@H+](CCO)Cc1c[nH+]c(C)n1C ZINC000628421644 369266421 /nfs/dbraw/zinc/26/64/21/369266421.db2.gz MXOQSUVRSDZFJM-UHFFFAOYSA-N 2 2 271.361 0.186 20 0 CCADLP COCCOCC[N@@H+](CCO)Cc1c[nH+]c(C)n1C ZINC000628421644 369266424 /nfs/dbraw/zinc/26/64/24/369266424.db2.gz MXOQSUVRSDZFJM-UHFFFAOYSA-N 2 2 271.361 0.186 20 0 CCADLP C[C@@H](CC(=O)NC[C@@H]1COCC[N@@H+]1C)n1cc[nH+]c1 ZINC000628913751 369449228 /nfs/dbraw/zinc/44/92/28/369449228.db2.gz WALKOWXBBRJVKE-NWDGAFQWSA-N 2 2 266.345 0.281 20 0 CCADLP C[C@@H](CC(=O)NC[C@@H]1COCC[N@H+]1C)n1cc[nH+]c1 ZINC000628913751 369449232 /nfs/dbraw/zinc/44/92/32/369449232.db2.gz WALKOWXBBRJVKE-NWDGAFQWSA-N 2 2 266.345 0.281 20 0 CCADLP C[NH2+]CCOCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000629391817 369653365 /nfs/dbraw/zinc/65/33/65/369653365.db2.gz FGLHOWIFUKXQOA-UHFFFAOYSA-N 3 2 292.427 0.872 20 0 CCADLP [NH3+]C[C@H]1CN(CC[NH+]2CCOCC2)CC[C@H]1C(F)(F)F ZINC000629564632 369712439 /nfs/dbraw/zinc/71/24/39/369712439.db2.gz SZVIOYPFIAZTIV-NWDGAFQWSA-N 2 2 295.349 0.778 20 0 CCADLP NC(=O)[C@@]1(O)CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000276497236 193357190 /nfs/dbraw/zinc/35/71/90/193357190.db2.gz WYTBQHMRSRZUES-OAHLLOKOSA-N 2 2 286.335 0.294 20 0 CCADLP NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000276497236 193357191 /nfs/dbraw/zinc/35/71/91/193357191.db2.gz WYTBQHMRSRZUES-OAHLLOKOSA-N 2 2 286.335 0.294 20 0 CCADLP Cn1nc2c(c1C[NH2+]C[C@H](O)C[NH+]1CCCC1)CCCC2 ZINC000629580165 369722606 /nfs/dbraw/zinc/72/26/06/369722606.db2.gz NSDPTZLGMJALAY-ZDUSSCGKSA-N 2 2 292.427 0.845 20 0 CCADLP CC(=O)c1ccccc1NC(=O)C[N@H+](C)CCOCC[NH3+] ZINC000629575606 369719384 /nfs/dbraw/zinc/71/93/84/369719384.db2.gz OPPHHXCZMIFZGO-UHFFFAOYSA-N 2 2 293.367 0.735 20 0 CCADLP CC(=O)c1ccccc1NC(=O)C[N@@H+](C)CCOCC[NH3+] ZINC000629575606 369719390 /nfs/dbraw/zinc/71/93/90/369719390.db2.gz OPPHHXCZMIFZGO-UHFFFAOYSA-N 2 2 293.367 0.735 20 0 CCADLP O[C@H](C[NH2+]CCc1cn2ccccc2[nH+]1)C[NH+]1CCCC1 ZINC000629554779 369704269 /nfs/dbraw/zinc/70/42/69/369704269.db2.gz QSDKXOJVNYBUCP-OAHLLOKOSA-N 3 2 288.395 0.923 20 0 CCADLP CN(C(=O)CC[NH2+]CC[N@@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000629605993 369737734 /nfs/dbraw/zinc/73/77/34/369737734.db2.gz BQNOWVYUUYROHB-OAHLLOKOSA-N 2 2 291.395 0.696 20 0 CCADLP CN(C(=O)CC[NH2+]CC[N@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000629605993 369737735 /nfs/dbraw/zinc/73/77/35/369737735.db2.gz BQNOWVYUUYROHB-OAHLLOKOSA-N 2 2 291.395 0.696 20 0 CCADLP COC1(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCCC1 ZINC000629646604 369746669 /nfs/dbraw/zinc/74/66/69/369746669.db2.gz BEUKTXQWWBXZIU-AWEZNQCLSA-N 2 2 295.427 0.842 20 0 CCADLP COC1(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCCC1 ZINC000629646604 369746674 /nfs/dbraw/zinc/74/66/74/369746674.db2.gz BEUKTXQWWBXZIU-AWEZNQCLSA-N 2 2 295.427 0.842 20 0 CCADLP CC[N@H+](CC[NH3+])Cc1ccc(N(C)CCOC)nc1 ZINC000629651180 369747796 /nfs/dbraw/zinc/74/77/96/369747796.db2.gz LADZAEBPEQDLSP-UHFFFAOYSA-N 2 2 266.389 0.945 20 0 CCADLP CC[N@@H+](CC[NH3+])Cc1ccc(N(C)CCOC)nc1 ZINC000629651180 369747800 /nfs/dbraw/zinc/74/78/00/369747800.db2.gz LADZAEBPEQDLSP-UHFFFAOYSA-N 2 2 266.389 0.945 20 0 CCADLP C[N@H+](CCOCC[NH3+])Cc1cn(Cc2cccnc2)nn1 ZINC000629662075 369750967 /nfs/dbraw/zinc/75/09/67/369750967.db2.gz CNWFMTPEOVILCZ-UHFFFAOYSA-N 2 2 290.371 0.129 20 0 CCADLP C[N@@H+](CCOCC[NH3+])Cc1cn(Cc2cccnc2)nn1 ZINC000629662075 369750971 /nfs/dbraw/zinc/75/09/71/369750971.db2.gz CNWFMTPEOVILCZ-UHFFFAOYSA-N 2 2 290.371 0.129 20 0 CCADLP C[N@H+](CCOCC[NH3+])Cc1nnc2n1CCCCC2 ZINC000629580727 369725374 /nfs/dbraw/zinc/72/53/74/369725374.db2.gz FPUYTFIGGQMXMV-UHFFFAOYSA-N 2 2 267.377 0.412 20 0 CCADLP C[N@@H+](CCOCC[NH3+])Cc1nnc2n1CCCCC2 ZINC000629580727 369725376 /nfs/dbraw/zinc/72/53/76/369725376.db2.gz FPUYTFIGGQMXMV-UHFFFAOYSA-N 2 2 267.377 0.412 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C[N@H+](C)C1CCC1 ZINC000629947151 369848664 /nfs/dbraw/zinc/84/86/64/369848664.db2.gz HZZCYXGHDVLQGS-NSHDSACASA-N 2 2 250.346 0.872 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C[N@@H+](C)C1CCC1 ZINC000629947151 369848667 /nfs/dbraw/zinc/84/86/67/369848667.db2.gz HZZCYXGHDVLQGS-NSHDSACASA-N 2 2 250.346 0.872 20 0 CCADLP C[C@H](O)[C@H]1CCN(c2cc(N3C[C@@H]4C[C@H]3C[NH2+]4)nc[nH+]2)C1 ZINC000630555396 370168691 /nfs/dbraw/zinc/16/86/91/370168691.db2.gz LCJJECWUDFNEHY-CYDGBPFRSA-N 2 2 289.383 0.234 20 0 CCADLP c1cn(-c2cc(NC[C@H]3COCC[NH2+]3)ncn2)c[nH+]1 ZINC000630532865 370152483 /nfs/dbraw/zinc/15/24/83/370152483.db2.gz NEEHYWVVDPQSHR-JTQLQIEISA-N 2 2 260.301 0.063 20 0 CCADLP [NH3+]Cc1cccc(-n2cc([C@@H]3COCC[NH2+]3)nn2)c1 ZINC000630607238 370205490 /nfs/dbraw/zinc/20/54/90/370205490.db2.gz DVRZHIPIFHQPSZ-ZDUSSCGKSA-N 2 2 259.313 0.387 20 0 CCADLP Cc1nc(NC[C@H](c2ccsc2)[NH+](C)C)nc(N)[nH+]1 ZINC000631055630 370369077 /nfs/dbraw/zinc/36/90/77/370369077.db2.gz VSBCNZLBPBZPKX-SNVBAGLBSA-N 2 2 278.385 0.791 20 0 CCADLP Cc1nc(NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)nc(N)[nH+]1 ZINC000631058359 370370844 /nfs/dbraw/zinc/37/08/44/370370844.db2.gz BSYKTAFNHJVWMO-ZJUUUORDSA-N 2 2 264.377 0.547 20 0 CCADLP Cc1nc(NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)nc(N)[nH+]1 ZINC000631058359 370370846 /nfs/dbraw/zinc/37/08/46/370370846.db2.gz BSYKTAFNHJVWMO-ZJUUUORDSA-N 2 2 264.377 0.547 20 0 CCADLP Cc1nc(NCCCC[NH+]2CCC(C)CC2)nc(N)[nH+]1 ZINC000631060561 370371298 /nfs/dbraw/zinc/37/12/98/370371298.db2.gz KXYFPEWEYXVURA-UHFFFAOYSA-N 2 2 278.404 0.938 20 0 CCADLP Cc1nc(N)nc(NCCCC[NH+]2CCC(C)CC2)[nH+]1 ZINC000631060561 370371305 /nfs/dbraw/zinc/37/13/05/370371305.db2.gz KXYFPEWEYXVURA-UHFFFAOYSA-N 2 2 278.404 0.938 20 0 CCADLP Cc1nc(NCC2CC[NH+](CC3CC3)CC2)nc(N)[nH+]1 ZINC000631376807 370505719 /nfs/dbraw/zinc/50/57/19/370505719.db2.gz ZDWNTIQBCSNHBL-UHFFFAOYSA-N 2 2 276.388 0.548 20 0 CCADLP Cc1nc(N)nc(NCC2CC[NH+](CC3CC3)CC2)[nH+]1 ZINC000631376807 370505726 /nfs/dbraw/zinc/50/57/26/370505726.db2.gz ZDWNTIQBCSNHBL-UHFFFAOYSA-N 2 2 276.388 0.548 20 0 CCADLP Cc1cc(N2CCC[C@](O)(C[NH+](C)C)C2)nc[nH+]1 ZINC000631343818 370484419 /nfs/dbraw/zinc/48/44/19/370484419.db2.gz HXIUSBSPGYIVEX-ZDUSSCGKSA-N 2 2 250.346 0.678 20 0 CCADLP C[C@@H]1C[C@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@H](C)O1 ZINC000631626460 370614423 /nfs/dbraw/zinc/61/44/23/370614423.db2.gz YAQGOHDHELMWPI-IPYPFGDCSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@H]1C[C@H](NS(=O)(=O)CC2([NH+](C)C)CC2)c2[nH+]ccn21 ZINC000632417162 371050441 /nfs/dbraw/zinc/05/04/41/371050441.db2.gz PXYVLYACBKAMPF-QWRGUYRKSA-N 2 2 298.412 0.903 20 0 CCADLP C[C@H](NS(=O)(=O)CC1([NH+](C)C)CC1)c1[nH+]ccn1C ZINC000632572631 371151287 /nfs/dbraw/zinc/15/12/87/371151287.db2.gz BQJBNJLNLQKKIP-JTQLQIEISA-N 2 2 286.401 0.495 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000235478578 189828600 /nfs/dbraw/zinc/82/86/00/189828600.db2.gz GYQVDYWJKXDTFC-CHWSQXEVSA-N 2 2 283.416 0.602 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000632984797 371348413 /nfs/dbraw/zinc/34/84/13/371348413.db2.gz BWFBLFSSAPYHME-LLVKDONJSA-N 2 2 265.361 0.844 20 0 CCADLP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000336845650 213755114 /nfs/dbraw/zinc/75/51/14/213755114.db2.gz CHMBRJXARNINPV-SOUVJXGZSA-N 2 2 296.459 0.659 20 0 CCADLP C[C@@H](C(=O)N[C@@H]1CCn2cc[nH+]c2C1)[NH+]1CC(C)C1 ZINC000567913317 291535758 /nfs/dbraw/zinc/53/57/58/291535758.db2.gz AZFGLQVWARNRQW-NWDGAFQWSA-N 2 2 262.357 0.654 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC(COC)(C2CC2)C1 ZINC000634652477 372126029 /nfs/dbraw/zinc/12/60/29/372126029.db2.gz RUCCPVWDKSYQLO-AWEZNQCLSA-N 2 2 286.416 0.284 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC(COC)(C2CC2)C1 ZINC000634652477 372126030 /nfs/dbraw/zinc/12/60/30/372126030.db2.gz RUCCPVWDKSYQLO-AWEZNQCLSA-N 2 2 286.416 0.284 20 0 CCADLP C[N@@H+]1CCN(c2nc3ccccc3n3c[nH+]cc23)[C@H](CO)C1 ZINC000634802708 372244883 /nfs/dbraw/zinc/24/48/83/372244883.db2.gz PYEPHBNBQNYGOH-LBPRGKRZSA-N 2 2 297.362 0.995 20 0 CCADLP C[N@H+]1CCN(c2nc3ccccc3n3c[nH+]cc23)[C@H](CO)C1 ZINC000634802708 372244884 /nfs/dbraw/zinc/24/48/84/372244884.db2.gz PYEPHBNBQNYGOH-LBPRGKRZSA-N 2 2 297.362 0.995 20 0 CCADLP c1nc(N2CC[C@@H]3CC[NH2+][C@H]3C2)cc(N2CCOCC2)[nH+]1 ZINC000634807899 372247160 /nfs/dbraw/zinc/24/71/60/372247160.db2.gz DRPVZMBANSOCKM-STQMWFEESA-N 2 2 289.383 0.501 20 0 CCADLP Nc1[nH+]cnc(N2CC[C@H](N3CC[NH2+]CC3)C2)c1Cl ZINC000634809739 372251819 /nfs/dbraw/zinc/25/18/19/372251819.db2.gz ZGAVJLTUPWQCNU-VIFPVBQESA-N 2 2 282.779 0.196 20 0 CCADLP C[C@@H](O)[C@H]1CCN(c2cc(NC3C[NH2+]C3)nc[nH+]2)C1 ZINC000634809608 372251847 /nfs/dbraw/zinc/25/18/47/372251847.db2.gz XBEMTVVZGQNIPF-ZJUUUORDSA-N 2 2 263.345 0.067 20 0 CCADLP Cc1cc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)nc(-c2cccnc2)[nH+]1 ZINC000634810482 372253615 /nfs/dbraw/zinc/25/36/15/372253615.db2.gz YDSWEVXMPMXRFB-IMRBUKKESA-N 2 2 267.336 0.899 20 0 CCADLP [NH3+]CCC1CCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000634811353 372255113 /nfs/dbraw/zinc/25/51/13/372255113.db2.gz CBBOZQXMUXTRHY-UHFFFAOYSA-N 2 2 263.345 0.846 20 0 CCADLP [NH3+]CCC1CCN(c2[nH+]cnc3c2OCCN3)CC1 ZINC000634811353 372255115 /nfs/dbraw/zinc/25/51/15/372255115.db2.gz CBBOZQXMUXTRHY-UHFFFAOYSA-N 2 2 263.345 0.846 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635326960 372463536 /nfs/dbraw/zinc/46/35/36/372463536.db2.gz PPKYADOXMUHRLK-CYBMUJFWSA-N 2 2 294.399 0.746 20 0 CCADLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635422790 372504654 /nfs/dbraw/zinc/50/46/54/372504654.db2.gz OXQHJAGSOOGQEB-MVWJERBFSA-N 2 2 260.341 0.866 20 0 CCADLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635422790 372504662 /nfs/dbraw/zinc/50/46/62/372504662.db2.gz OXQHJAGSOOGQEB-MVWJERBFSA-N 2 2 260.341 0.866 20 0 CCADLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635422790 372504671 /nfs/dbraw/zinc/50/46/71/372504671.db2.gz OXQHJAGSOOGQEB-MVWJERBFSA-N 2 2 260.341 0.866 20 0 CCADLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635422790 372504676 /nfs/dbraw/zinc/50/46/76/372504676.db2.gz OXQHJAGSOOGQEB-MVWJERBFSA-N 2 2 260.341 0.866 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[NH+](C2CC2)CC1 ZINC000635439621 372512714 /nfs/dbraw/zinc/51/27/14/372512714.db2.gz YVSJGNDTFBAFJC-VXGBXAGGSA-N 2 2 260.341 0.820 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[NH+](C2CC2)CC1 ZINC000635439621 372512720 /nfs/dbraw/zinc/51/27/20/372512720.db2.gz YVSJGNDTFBAFJC-VXGBXAGGSA-N 2 2 260.341 0.820 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CC[NH+]2C2CCCC2)CCO1 ZINC000635464673 372533309 /nfs/dbraw/zinc/53/33/09/372533309.db2.gz IBYWAUHUOUCFFC-UKRRQHHQSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CC[NH+]2C2CCCC2)CCO1 ZINC000635464673 372533312 /nfs/dbraw/zinc/53/33/12/372533312.db2.gz IBYWAUHUOUCFFC-UKRRQHHQSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CC[N@@H+]2C2CCCC2)CCO1 ZINC000635464673 372533316 /nfs/dbraw/zinc/53/33/16/372533316.db2.gz IBYWAUHUOUCFFC-UKRRQHHQSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CC[N@H+]2C2CCCC2)CCO1 ZINC000635464673 372533321 /nfs/dbraw/zinc/53/33/21/372533321.db2.gz IBYWAUHUOUCFFC-UKRRQHHQSA-N 2 2 295.427 0.840 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@@H]2CCC[N@@H+]2CCOC)[nH+]1 ZINC000635500521 372565183 /nfs/dbraw/zinc/56/51/83/372565183.db2.gz GSYIEXKQCLGHEK-ZDUSSCGKSA-N 2 2 294.399 0.742 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@@H]2CCC[N@H+]2CCOC)[nH+]1 ZINC000635500521 372565186 /nfs/dbraw/zinc/56/51/86/372565186.db2.gz GSYIEXKQCLGHEK-ZDUSSCGKSA-N 2 2 294.399 0.742 20 0 CCADLP C[C@H](C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)[NH+](C)C ZINC000635505628 372570761 /nfs/dbraw/zinc/57/07/61/372570761.db2.gz ADTZTBMXVWCXJD-QJPTWQEYSA-N 2 2 257.378 0.162 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@H]2CCC[N@H+](C)C2)[nH+]1 ZINC000635508260 372573292 /nfs/dbraw/zinc/57/32/92/372573292.db2.gz STVTWSQKYCQOSK-NSHDSACASA-N 2 2 250.346 0.725 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000635508260 372573297 /nfs/dbraw/zinc/57/32/97/372573297.db2.gz STVTWSQKYCQOSK-NSHDSACASA-N 2 2 250.346 0.725 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)C[N@H+](C)CC(C)(C)C ZINC000635478340 372544536 /nfs/dbraw/zinc/54/45/36/372544536.db2.gz BFVSFESFECGYSR-UHFFFAOYSA-N 2 2 285.432 0.755 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)C[N@@H+](C)CC(C)(C)C ZINC000635478340 372544539 /nfs/dbraw/zinc/54/45/39/372544539.db2.gz BFVSFESFECGYSR-UHFFFAOYSA-N 2 2 285.432 0.755 20 0 CCADLP C[C@H](C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)[NH+](C)C ZINC000635546265 372611877 /nfs/dbraw/zinc/61/18/77/372611877.db2.gz KVIDPOCOFGBLRX-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CC(C)(C[NH+]1CCOCC1)C(=O)NCc1[nH]cc[nH+]1 ZINC000635549509 372616202 /nfs/dbraw/zinc/61/62/02/372616202.db2.gz ADRBRIMXJADMLK-UHFFFAOYSA-N 2 2 266.345 0.384 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000333076568 205011562 /nfs/dbraw/zinc/01/15/62/205011562.db2.gz PNZPZDXIPCZKPI-VXGBXAGGSA-N 2 2 278.356 0.207 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CCCn3cc[nH+]c32)C1 ZINC000333076568 205011565 /nfs/dbraw/zinc/01/15/65/205011565.db2.gz PNZPZDXIPCZKPI-VXGBXAGGSA-N 2 2 278.356 0.207 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[NH+](C(C)(C)CO)CC2)[nH+]1 ZINC000635740642 372842269 /nfs/dbraw/zinc/84/22/69/372842269.db2.gz PACZFZYLYMJKRN-UHFFFAOYSA-N 2 2 294.399 0.430 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000333281857 205180441 /nfs/dbraw/zinc/18/04/41/205180441.db2.gz MPNBHUHPEDWQPO-QEJZJMRPSA-N 2 2 295.427 0.744 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000333281857 205180446 /nfs/dbraw/zinc/18/04/46/205180446.db2.gz MPNBHUHPEDWQPO-QEJZJMRPSA-N 2 2 295.427 0.744 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[NH+]1CCOCC1 ZINC000333361305 205251997 /nfs/dbraw/zinc/25/19/97/205251997.db2.gz LCWQWNCJQKYQIB-DGAVXFQQSA-N 2 2 296.415 0.099 20 0 CCADLP OCc1cc(-n2cc(C[NH+]3CCCC3)nn2)cc[nH+]1 ZINC000656458661 412803948 /nfs/dbraw/zinc/80/39/48/412803948.db2.gz DAPXAVJBIVUXPF-UHFFFAOYSA-N 2 2 259.313 0.750 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)NCC[N@@H+]1CCCOCC1 ZINC000635834060 372975396 /nfs/dbraw/zinc/97/53/96/372975396.db2.gz AMVBRTLJJGPJGA-UHFFFAOYSA-N 2 2 294.399 0.845 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)NCC[N@H+]1CCCOCC1 ZINC000635834060 372975400 /nfs/dbraw/zinc/97/54/00/372975400.db2.gz AMVBRTLJJGPJGA-UHFFFAOYSA-N 2 2 294.399 0.845 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)n1C ZINC000333415788 205301355 /nfs/dbraw/zinc/30/13/55/205301355.db2.gz IAYMIYUUPRULDP-DOMZBBRYSA-N 2 2 294.399 0.914 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)[nH+]1 ZINC000635957683 373158921 /nfs/dbraw/zinc/15/89/21/373158921.db2.gz NRLWTVDTECWVJY-DGCLKSJQSA-N 2 2 294.399 0.428 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@@H]([N@@H+](C)CCO)[C@H]2C)[nH+]1 ZINC000635957683 373158926 /nfs/dbraw/zinc/15/89/26/373158926.db2.gz NRLWTVDTECWVJY-DGCLKSJQSA-N 2 2 294.399 0.428 20 0 CCADLP O=C(NC[C@H]1CCCC[N@H+]1CCO)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635977109 373193071 /nfs/dbraw/zinc/19/30/71/373193071.db2.gz VCQWAPOMRWRMDL-JHJVBQTASA-N 2 2 292.383 0.476 20 0 CCADLP O=C(NC[C@H]1CCCC[N@@H+]1CCO)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635977109 373193074 /nfs/dbraw/zinc/19/30/74/373193074.db2.gz VCQWAPOMRWRMDL-JHJVBQTASA-N 2 2 292.383 0.476 20 0 CCADLP O=C(N[C@@H]1Cc2c[nH+]cn2C1)C12CCC[NH+](CCC1)C2 ZINC000635985363 373208413 /nfs/dbraw/zinc/20/84/13/373208413.db2.gz HQRZMQRCFGUKKL-GFCCVEGCSA-N 2 2 274.368 0.800 20 0 CCADLP CC(C)c1nc(N2C[C@H]3C[NH2+]C[C@H]3C2)nc(N(C)C)[nH+]1 ZINC000333606403 205496148 /nfs/dbraw/zinc/49/61/48/205496148.db2.gz XJYGBRMDKNLCJS-PHIMTYICSA-N 2 2 276.388 0.717 20 0 CCADLP CC(C)c1nc(N(C)C)nc(N2C[C@H]3C[NH2+]C[C@H]3C2)[nH+]1 ZINC000333606403 205496152 /nfs/dbraw/zinc/49/61/52/205496152.db2.gz XJYGBRMDKNLCJS-PHIMTYICSA-N 2 2 276.388 0.717 20 0 CCADLP C[NH+](C)[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCOCC2)C1(C)C ZINC000636091026 373348350 /nfs/dbraw/zinc/34/83/50/373348350.db2.gz JWOVXWKLSQREQW-STQMWFEESA-N 2 2 297.443 0.942 20 0 CCADLP C[C@H](C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C)[NH+](C)C ZINC000636171223 373427111 /nfs/dbraw/zinc/42/71/11/373427111.db2.gz FVFNNJOCHHMZHA-SDDRHHMPSA-N 2 2 257.378 0.162 20 0 CCADLP C[C@H](C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C)[NH+](C)C ZINC000636171223 373427118 /nfs/dbraw/zinc/42/71/18/373427118.db2.gz FVFNNJOCHHMZHA-SDDRHHMPSA-N 2 2 257.378 0.162 20 0 CCADLP O=C(NCC[NH+]1CCSCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636773452 373749312 /nfs/dbraw/zinc/74/93/12/373749312.db2.gz BSHAAGDJQICZIT-LLVKDONJSA-N 2 2 295.412 0.156 20 0 CCADLP O=C(NCC[NH+]1CCSCC1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000636773457 373749353 /nfs/dbraw/zinc/74/93/53/373749353.db2.gz BSHAAGDJQICZIT-NSHDSACASA-N 2 2 295.412 0.156 20 0 CCADLP CCC[N@H+](CC)CCNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000636794913 373761234 /nfs/dbraw/zinc/76/12/34/373761234.db2.gz KGENVYZSYBYXII-UHFFFAOYSA-N 2 2 295.387 0.216 20 0 CCADLP CCC[N@@H+](CC)CCNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000636794913 373761238 /nfs/dbraw/zinc/76/12/38/373761238.db2.gz KGENVYZSYBYXII-UHFFFAOYSA-N 2 2 295.387 0.216 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)N[C@H]2Cc3c[nH+]cn3C2)CC[N@H+]1C ZINC000636843237 373783114 /nfs/dbraw/zinc/78/31/14/373783114.db2.gz DMLBMTXTECFZQT-WOPDTQHZSA-N 2 2 277.372 0.590 20 0 CCADLP C[C@H]1C[C@H](NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)c2[nH+]ccn21 ZINC000637197285 373995998 /nfs/dbraw/zinc/99/59/98/373995998.db2.gz HVFACGSJEOIQGD-TUAOUCFPSA-N 2 2 293.371 0.255 20 0 CCADLP C[C@H]1C[C@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)c2[nH+]ccn21 ZINC000637197285 373996006 /nfs/dbraw/zinc/99/60/06/373996006.db2.gz HVFACGSJEOIQGD-TUAOUCFPSA-N 2 2 293.371 0.255 20 0 CCADLP Cc1cc(CNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc(C)[nH+]1 ZINC000637232232 374033717 /nfs/dbraw/zinc/03/37/17/374033717.db2.gz XSIMNJIEIKPQBL-CQSZACIVSA-N 2 2 292.383 0.564 20 0 CCADLP Cc1cc(CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)cc(C)[nH+]1 ZINC000637232232 374033728 /nfs/dbraw/zinc/03/37/28/374033728.db2.gz XSIMNJIEIKPQBL-CQSZACIVSA-N 2 2 292.383 0.564 20 0 CCADLP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NC[C@@H]1COCC[NH+]1C ZINC000637441745 374160952 /nfs/dbraw/zinc/16/09/52/374160952.db2.gz OGJHOESLSMSTOR-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NC[C@@H]1COCC[NH+]1C ZINC000637441745 374160960 /nfs/dbraw/zinc/16/09/60/374160960.db2.gz OGJHOESLSMSTOR-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@@H]1C[NH+](CC)CCN1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637441745 374160964 /nfs/dbraw/zinc/16/09/64/374160964.db2.gz OGJHOESLSMSTOR-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@@H]1C[NH+](CC)CCN1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637441745 374160972 /nfs/dbraw/zinc/16/09/72/374160972.db2.gz OGJHOESLSMSTOR-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)NC[C@@H]1CCC[N@H+]1C)CC2 ZINC000637532372 374217538 /nfs/dbraw/zinc/21/75/38/374217538.db2.gz BXVVITAUDCETLH-LBPRGKRZSA-N 2 2 277.372 0.811 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)NC[C@@H]1CCC[N@@H+]1C)CC2 ZINC000637532372 374217546 /nfs/dbraw/zinc/21/75/46/374217546.db2.gz BXVVITAUDCETLH-LBPRGKRZSA-N 2 2 277.372 0.811 20 0 CCADLP C[N@@H+]1CCO[C@@H]2CN(c3cc(NC4CC4)[nH+]cn3)C[C@@H]21 ZINC000334121233 206031877 /nfs/dbraw/zinc/03/18/77/206031877.db2.gz LKYIPDFEDDZBIE-NWDGAFQWSA-N 2 2 275.356 0.570 20 0 CCADLP C[N@H+]1CCO[C@@H]2CN(c3cc(NC4CC4)[nH+]cn3)C[C@@H]21 ZINC000334121233 206031880 /nfs/dbraw/zinc/03/18/80/206031880.db2.gz LKYIPDFEDDZBIE-NWDGAFQWSA-N 2 2 275.356 0.570 20 0 CCADLP CCc1c[nH]c(CC(=O)N(C)C2CC[NH2+]CC2)[nH+]1 ZINC000637810418 374342766 /nfs/dbraw/zinc/34/27/66/374342766.db2.gz DNZBZAQMIFQIQP-UHFFFAOYSA-N 2 2 250.346 0.725 20 0 CCADLP C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCn3cc(C)[nH+]c3C2)C1 ZINC000637821874 374359699 /nfs/dbraw/zinc/35/96/99/374359699.db2.gz DUDICFDELQJTPF-QWHCGFSZSA-N 2 2 276.384 0.964 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)[nH+]1 ZINC000637866680 374430741 /nfs/dbraw/zinc/43/07/41/374430741.db2.gz PCPNJYQGOAEFOW-KOLCDFICSA-N 2 2 266.345 0.089 20 0 CCADLP C[C@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)C1C[NH2+]C1 ZINC000568513209 291600267 /nfs/dbraw/zinc/60/02/67/291600267.db2.gz KSQQIXCUMCNYAR-JQWIXIFHSA-N 2 2 296.392 0.419 20 0 CCADLP CC(C)[NH+](CCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O)C(C)C ZINC000638047982 374589126 /nfs/dbraw/zinc/58/91/26/374589126.db2.gz LNGZSQIOHQFQJJ-CYBMUJFWSA-N 2 2 298.431 0.042 20 0 CCADLP [NH3+][C@@H]1CC=C(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000638077032 374632884 /nfs/dbraw/zinc/63/28/84/374632884.db2.gz PCOKUXKLUAMNEO-KGLIPLIRSA-N 2 2 279.384 0.357 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(CC(C)(C)[NH+]2CCOCC2)CC1 ZINC000638128196 374698295 /nfs/dbraw/zinc/69/82/95/374698295.db2.gz QAKCXPXPHJAJPD-HNNXBMFYSA-N 2 2 299.459 0.486 20 0 CCADLP O=C(CN1CC[NH2+]CC1)Nc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000638093209 374654527 /nfs/dbraw/zinc/65/45/27/374654527.db2.gz RCUQTWJWAANVQJ-UHFFFAOYSA-N 2 2 285.351 0.920 20 0 CCADLP Nc1nc(N)c(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c[nH+]1 ZINC000638105525 374672313 /nfs/dbraw/zinc/67/23/13/374672313.db2.gz UDXBSHMMLAICQS-CYBMUJFWSA-N 2 2 290.415 0.752 20 0 CCADLP CC(C)C[C@@H](C(=O)N1CCO[C@@H](C[NH3+])C1)n1cc[nH+]c1 ZINC000638172510 374755824 /nfs/dbraw/zinc/75/58/24/374755824.db2.gz PDXBPGATUDDIEH-STQMWFEESA-N 2 2 280.372 0.656 20 0 CCADLP CCc1c[nH]c(CC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)[nH+]1 ZINC000638145617 374716331 /nfs/dbraw/zinc/71/63/31/374716331.db2.gz MGKXXAOPKZFTGE-UWVGGRQHSA-N 2 2 250.346 0.710 20 0 CCADLP COCC[NH2+]CCNC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000638154078 374724686 /nfs/dbraw/zinc/72/46/86/374724686.db2.gz LVBNMRWXYSTMGR-GFCCVEGCSA-N 2 2 280.372 0.106 20 0 CCADLP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000638224324 374809925 /nfs/dbraw/zinc/80/99/25/374809925.db2.gz JTEMKUBBNQBSEX-AGIUHOORSA-N 2 2 294.374 0.912 20 0 CCADLP [NH3+][C@@H](C(=O)NCC[C@@H]1CCC[NH2+]C1)c1cscn1 ZINC000568619509 291607172 /nfs/dbraw/zinc/60/71/72/291607172.db2.gz BHKKZULUHDSGFI-GXSJLCMTSA-N 2 2 268.386 0.649 20 0 CCADLP O=C(Cc1cccc2c1CC[NH2+]C2)NCc1c[nH+]c[nH]1 ZINC000638280922 374887053 /nfs/dbraw/zinc/88/70/53/374887053.db2.gz GTUIPXTYPJXOSG-UHFFFAOYSA-N 2 2 270.336 0.914 20 0 CCADLP O=C(Cc1cccc2c1CC[NH2+]C2)NCc1c[nH]c[nH+]1 ZINC000638280922 374887060 /nfs/dbraw/zinc/88/70/60/374887060.db2.gz GTUIPXTYPJXOSG-UHFFFAOYSA-N 2 2 270.336 0.914 20 0 CCADLP CCc1c[nH]c(CC(=O)N(C)C2(C[NH3+])CCC2)[nH+]1 ZINC000638261704 374857879 /nfs/dbraw/zinc/85/78/79/374857879.db2.gz INTARFAKADFPKB-UHFFFAOYSA-N 2 2 250.346 0.854 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N(C)[C@H](C[NH3+])C1CC1)CC2 ZINC000638332085 374933805 /nfs/dbraw/zinc/93/38/05/374933805.db2.gz MZGKVMJMFNVYKO-QWHCGFSZSA-N 2 2 276.384 0.950 20 0 CCADLP Nc1nc(N)c(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)c[nH+]1 ZINC000638368642 374964717 /nfs/dbraw/zinc/96/47/17/374964717.db2.gz LIRWYQVMSDXPFA-QWRGUYRKSA-N 2 2 262.361 0.018 20 0 CCADLP Nc1nc(N)c(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)c[nH+]1 ZINC000638368642 374964723 /nfs/dbraw/zinc/96/47/23/374964723.db2.gz LIRWYQVMSDXPFA-QWRGUYRKSA-N 2 2 262.361 0.018 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CCC([NH2+]CCOC)CC2)[nH+]1 ZINC000638384959 374979490 /nfs/dbraw/zinc/97/94/90/374979490.db2.gz AGBXERDFHDTIFB-UHFFFAOYSA-N 2 2 294.399 0.742 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@@H]([NH3+])C[C@H]2C)[nH+]1 ZINC000638398678 374994003 /nfs/dbraw/zinc/99/40/03/374994003.db2.gz WHKMPFZPMXCSAB-NXEZZACHSA-N 2 2 250.346 0.853 20 0 CCADLP CC(C)CC[C@H]([NH3+])C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000638408109 375005451 /nfs/dbraw/zinc/00/54/51/375005451.db2.gz ZXERTAVJZAWEHZ-MJBXVCDLSA-N 2 2 285.432 0.975 20 0 CCADLP CC(C)CC[C@H]([NH3+])C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000638408109 375005457 /nfs/dbraw/zinc/00/54/57/375005457.db2.gz ZXERTAVJZAWEHZ-MJBXVCDLSA-N 2 2 285.432 0.975 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)NCC3([NH3+])CCOCC3)ccn12 ZINC000638541904 375131898 /nfs/dbraw/zinc/13/18/98/375131898.db2.gz UQQGVVOUKVTILF-UHFFFAOYSA-N 2 2 288.351 0.880 20 0 CCADLP C[NH+]1CCN(C(=O)CC[NH2+]Cc2cc(C3CC3)no2)CC1 ZINC000638553499 375138275 /nfs/dbraw/zinc/13/82/75/375138275.db2.gz SPUSPVONTRYYFO-UHFFFAOYSA-N 2 2 292.383 0.806 20 0 CCADLP CC[NH+](CC)C[C@@H](C)NCc1c[nH+]c(N)nc1N ZINC000638565968 375141398 /nfs/dbraw/zinc/14/13/98/375141398.db2.gz WYHGQXJDDOMQFF-SECBINFHSA-N 2 2 252.366 0.122 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@@H]2CC[NH2+][C@H]2CC)[nH+]1 ZINC000638573317 375149719 /nfs/dbraw/zinc/14/97/19/375149719.db2.gz BXGNOLWSDMOYRH-WDEREUQCSA-N 2 2 250.346 0.771 20 0 CCADLP C[NH2+]CCOCCNC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000638576444 375154653 /nfs/dbraw/zinc/15/46/53/375154653.db2.gz GXSVNOXZJFPQCD-GFCCVEGCSA-N 2 2 287.310 0.317 20 0 CCADLP CC[C@H](C)[C@H](C[NH2+]C[C@H]1C[N@H+](C)CCN1C)OC ZINC000638596937 375177384 /nfs/dbraw/zinc/17/73/84/375177384.db2.gz UOFPUFHWVICSBS-IHRRRGAJSA-N 2 2 257.422 0.883 20 0 CCADLP CC[C@H](C)[C@H](C[NH2+]C[C@H]1C[N@@H+](C)CCN1C)OC ZINC000638596937 375177390 /nfs/dbraw/zinc/17/73/90/375177390.db2.gz UOFPUFHWVICSBS-IHRRRGAJSA-N 2 2 257.422 0.883 20 0 CCADLP COc1ccccc1[C@H]([NH3+])C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000638608395 375188175 /nfs/dbraw/zinc/18/81/75/375188175.db2.gz AWTLNMMUWBZBEX-FZMZJTMJSA-N 2 2 293.367 0.142 20 0 CCADLP COc1ccccc1[C@H]([NH3+])C(=O)NC[C@H]1COCC[N@H+]1C ZINC000638608395 375188180 /nfs/dbraw/zinc/18/81/80/375188180.db2.gz AWTLNMMUWBZBEX-FZMZJTMJSA-N 2 2 293.367 0.142 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000638611672 375194132 /nfs/dbraw/zinc/19/41/32/375194132.db2.gz PKGNQHSCMIOTGI-SGMGOOAPSA-N 2 2 269.389 0.341 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000638611672 375194139 /nfs/dbraw/zinc/19/41/39/375194139.db2.gz PKGNQHSCMIOTGI-SGMGOOAPSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H](C[NH2+]CC(C)(C)N1CCOCC1)C[NH+]1CCOCC1 ZINC000638675128 375279116 /nfs/dbraw/zinc/27/91/16/375279116.db2.gz SLXNQWHBIAUXKJ-OAHLLOKOSA-N 2 2 299.459 0.655 20 0 CCADLP CC[C@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000638990760 375503402 /nfs/dbraw/zinc/50/34/02/375503402.db2.gz OQNBOWGWYKEVRW-LBPRGKRZSA-N 2 2 294.424 0.988 20 0 CCADLP CO[C@H](C[N@@H+]1CC[NH+]2CCC1CC2)[C@H]1CCOC1 ZINC000639171419 375617434 /nfs/dbraw/zinc/61/74/34/375617434.db2.gz CCFSRWLMESCQFH-GXTWGEPZSA-N 2 2 254.374 0.818 20 0 CCADLP CO[C@H](C[N@H+]1CC[NH+]2CCC1CC2)[C@H]1CCOC1 ZINC000639171419 375617439 /nfs/dbraw/zinc/61/74/39/375617439.db2.gz CCFSRWLMESCQFH-GXTWGEPZSA-N 2 2 254.374 0.818 20 0 CCADLP Cc1cc(C[NH2+]C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n(C)n1 ZINC000574631007 335035082 /nfs/dbraw/zinc/03/50/82/335035082.db2.gz BTIPDEUOOZJOHL-VNHYZAJKSA-N 2 2 296.415 0.288 20 0 CCADLP Cc1cc(C[NH2+]C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)n(C)n1 ZINC000574631007 335035083 /nfs/dbraw/zinc/03/50/83/335035083.db2.gz BTIPDEUOOZJOHL-VNHYZAJKSA-N 2 2 296.415 0.288 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H]([NH3+])c2cscn2)CC1 ZINC000574636286 335035745 /nfs/dbraw/zinc/03/57/45/335035745.db2.gz UGWYZUSRZZUWFV-JTQLQIEISA-N 2 2 254.359 0.307 20 0 CCADLP C[NH2+]C[C@H]1CCCN(CC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000574638241 335035922 /nfs/dbraw/zinc/03/59/22/335035922.db2.gz ZKLNTBGLMVJMLG-UONOGXRCSA-N 2 2 255.406 0.639 20 0 CCADLP C[NH2+]C[C@H]1CCCN(CC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000574638241 335035923 /nfs/dbraw/zinc/03/59/23/335035923.db2.gz ZKLNTBGLMVJMLG-UONOGXRCSA-N 2 2 255.406 0.639 20 0 CCADLP Cn1c[nH+]cc1CCN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000639434775 375780934 /nfs/dbraw/zinc/78/09/34/375780934.db2.gz PNJLEJAPLLXHLE-HNNXBMFYSA-N 2 2 278.400 0.759 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000639552685 375832774 /nfs/dbraw/zinc/83/27/74/375832774.db2.gz FVIBZKPMYFLRLX-TZMCWYRMSA-N 2 2 276.384 0.953 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000639552685 375832782 /nfs/dbraw/zinc/83/27/82/375832782.db2.gz FVIBZKPMYFLRLX-TZMCWYRMSA-N 2 2 276.384 0.953 20 0 CCADLP C[C@@H](O)C[C@@H]1COCC[N@@H+]1CCc1c[nH+]cn1C ZINC000639586865 375844066 /nfs/dbraw/zinc/84/40/66/375844066.db2.gz ADCZIPMXFZKZIN-DGCLKSJQSA-N 2 2 253.346 0.434 20 0 CCADLP C[C@@H](O)C[C@@H]1COCC[N@H+]1CCc1c[nH+]cn1C ZINC000639586865 375844072 /nfs/dbraw/zinc/84/40/72/375844072.db2.gz ADCZIPMXFZKZIN-DGCLKSJQSA-N 2 2 253.346 0.434 20 0 CCADLP c1c[nH+]c(N2CC[NH+](C[C@@H]3CCc4ncnn43)CC2)[nH]1 ZINC000639627137 375871061 /nfs/dbraw/zinc/87/10/61/375871061.db2.gz NKHJWMXSSUNBOU-NSHDSACASA-N 2 2 273.344 0.311 20 0 CCADLP CNC(=O)NC1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000639678229 375911598 /nfs/dbraw/zinc/91/15/98/375911598.db2.gz XCBCOGXSGSAJAL-UHFFFAOYSA-N 2 2 265.361 0.356 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000639664306 375897142 /nfs/dbraw/zinc/89/71/42/375897142.db2.gz PRTWOWCAISOHJS-CQSZACIVSA-N 2 2 297.424 0.863 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000639664306 375897143 /nfs/dbraw/zinc/89/71/43/375897143.db2.gz PRTWOWCAISOHJS-CQSZACIVSA-N 2 2 297.424 0.863 20 0 CCADLP C[C@@H]1[C@@H](C)[N@H+](CCc2c[nH+]cn2C)[C@@H](C)C(=O)N1C ZINC000639691516 375925346 /nfs/dbraw/zinc/92/53/46/375925346.db2.gz UUAWJNZXZVOXPB-UTUOFQBUSA-N 2 2 264.373 0.902 20 0 CCADLP C[C@@H]1[C@@H](C)[N@@H+](CCc2c[nH+]cn2C)[C@@H](C)C(=O)N1C ZINC000639691516 375925351 /nfs/dbraw/zinc/92/53/51/375925351.db2.gz UUAWJNZXZVOXPB-UTUOFQBUSA-N 2 2 264.373 0.902 20 0 CCADLP CCN(CC)C(=O)C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766527 375994706 /nfs/dbraw/zinc/99/47/06/375994706.db2.gz QCGWLWBQGFDACP-AWEZNQCLSA-N 2 2 271.405 0.243 20 0 CCADLP CCN(CC)C(=O)C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766527 375994710 /nfs/dbraw/zinc/99/47/10/375994710.db2.gz QCGWLWBQGFDACP-AWEZNQCLSA-N 2 2 271.405 0.243 20 0 CCADLP C[C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)C1 ZINC000639765985 375995774 /nfs/dbraw/zinc/99/57/74/375995774.db2.gz MHURZZDZXILJIO-HOCLYGCPSA-N 2 2 297.443 0.633 20 0 CCADLP C[C@H]1CCCN(C(=O)C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)C1 ZINC000639765985 375995780 /nfs/dbraw/zinc/99/57/80/375995780.db2.gz MHURZZDZXILJIO-HOCLYGCPSA-N 2 2 297.443 0.633 20 0 CCADLP COCCOCC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639765522 375996093 /nfs/dbraw/zinc/99/60/93/375996093.db2.gz IVWKCYZDAJWYAQ-ZDUSSCGKSA-N 2 2 260.378 0.038 20 0 CCADLP COCCOCC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639765522 375996096 /nfs/dbraw/zinc/99/60/96/375996096.db2.gz IVWKCYZDAJWYAQ-ZDUSSCGKSA-N 2 2 260.378 0.038 20 0 CCADLP CCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767626 375997101 /nfs/dbraw/zinc/99/71/01/375997101.db2.gz VQACCTHYWMHINQ-TZMCWYRMSA-N 2 2 271.405 0.290 20 0 CCADLP CCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767626 375997105 /nfs/dbraw/zinc/99/71/05/375997105.db2.gz VQACCTHYWMHINQ-TZMCWYRMSA-N 2 2 271.405 0.290 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000639769666 376001726 /nfs/dbraw/zinc/00/17/26/376001726.db2.gz ZTKJETHVXVTYRQ-UWVGGRQHSA-N 2 2 270.295 0.298 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000639769666 376001732 /nfs/dbraw/zinc/00/17/32/376001732.db2.gz ZTKJETHVXVTYRQ-UWVGGRQHSA-N 2 2 270.295 0.298 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000639762644 375990876 /nfs/dbraw/zinc/99/08/76/375990876.db2.gz SVLBJUYJDFCFGE-AWEZNQCLSA-N 3 2 266.389 0.662 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000639762644 375990879 /nfs/dbraw/zinc/99/08/79/375990879.db2.gz SVLBJUYJDFCFGE-AWEZNQCLSA-N 3 2 266.389 0.662 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)CC(F)(F)F ZINC000640051710 376218308 /nfs/dbraw/zinc/21/83/08/376218308.db2.gz WZNPQDOZGLHQQN-SNVBAGLBSA-N 2 2 297.321 0.006 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)CC(F)(F)F ZINC000640051710 376218312 /nfs/dbraw/zinc/21/83/12/376218312.db2.gz WZNPQDOZGLHQQN-SNVBAGLBSA-N 2 2 297.321 0.006 20 0 CCADLP CNC(=O)NC[C@H]1COCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000640102901 376237236 /nfs/dbraw/zinc/23/72/36/376237236.db2.gz PCQJCESSDBGJEV-ZDUSSCGKSA-N 2 2 295.387 0.211 20 0 CCADLP CNC(=O)NC[C@H]1COCC[N@H+]1CCCn1cc[nH+]c1C ZINC000640102901 376237246 /nfs/dbraw/zinc/23/72/46/376237246.db2.gz PCQJCESSDBGJEV-ZDUSSCGKSA-N 2 2 295.387 0.211 20 0 CCADLP O=C([C@H]1CSC[NH2+]1)N1CC[NH+](C2CCCC2)CC1 ZINC000052062684 284582526 /nfs/dbraw/zinc/58/25/26/284582526.db2.gz DUKGWKPNRNIXGO-GFCCVEGCSA-N 2 2 269.414 0.736 20 0 CCADLP COc1cc[nH+]c(Cn2cc(C[C@@H]3CC[NH2+]C3)nn2)c1 ZINC000641030948 376686797 /nfs/dbraw/zinc/68/67/97/376686797.db2.gz QIMJZINUEQFOBJ-NSHDSACASA-N 2 2 273.340 0.882 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000264475441 190112665 /nfs/dbraw/zinc/11/26/65/190112665.db2.gz MHBNXUMYBLLTJW-QWHCGFSZSA-N 2 2 295.387 0.292 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)N[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000264475441 190112666 /nfs/dbraw/zinc/11/26/66/190112666.db2.gz MHBNXUMYBLLTJW-QWHCGFSZSA-N 2 2 295.387 0.292 20 0 CCADLP COCC[N@H+](C)Cc1cn(C[C@@H](O)C[NH+](C)C(C)C)nn1 ZINC000641220739 376908186 /nfs/dbraw/zinc/90/81/86/376908186.db2.gz FESMDWAYZHUDGJ-AWEZNQCLSA-N 2 2 299.419 0.057 20 0 CCADLP COCC[N@@H+](C)Cc1cn(C[C@@H](O)C[NH+](C)C(C)C)nn1 ZINC000641220739 376908194 /nfs/dbraw/zinc/90/81/94/376908194.db2.gz FESMDWAYZHUDGJ-AWEZNQCLSA-N 2 2 299.419 0.057 20 0 CCADLP COCC[NH+](C)Cc1cn(C[C@@H](O)C[N@H+](C)C(C)C)nn1 ZINC000641220739 376908199 /nfs/dbraw/zinc/90/81/99/376908199.db2.gz FESMDWAYZHUDGJ-AWEZNQCLSA-N 2 2 299.419 0.057 20 0 CCADLP COCC[NH+](C)Cc1cn(C[C@@H](O)C[N@@H+](C)C(C)C)nn1 ZINC000641220739 376908205 /nfs/dbraw/zinc/90/82/05/376908205.db2.gz FESMDWAYZHUDGJ-AWEZNQCLSA-N 2 2 299.419 0.057 20 0 CCADLP c1c(CC[NH+]2CCOCC2)nnn1CC1CC[NH2+]CC1 ZINC000641232600 376931129 /nfs/dbraw/zinc/93/11/29/376931129.db2.gz FZSXCPOLVDQARE-UHFFFAOYSA-N 2 2 279.388 0.152 20 0 CCADLP CC[NH+]1CCN(CCNc2cc[nH+]cc2F)CC1 ZINC000641285423 376965271 /nfs/dbraw/zinc/96/52/71/376965271.db2.gz XTKPIEBMOFSQDV-UHFFFAOYSA-N 2 2 252.337 0.692 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641394193 377066668 /nfs/dbraw/zinc/06/66/68/377066668.db2.gz FWVHZHWXBIIQON-YPMHNXCESA-N 2 2 298.412 0.285 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641394193 377066671 /nfs/dbraw/zinc/06/66/71/377066671.db2.gz FWVHZHWXBIIQON-YPMHNXCESA-N 2 2 298.412 0.285 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](C)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641499671 377182893 /nfs/dbraw/zinc/18/28/93/377182893.db2.gz GKUOPXKQYPQSDT-LBPRGKRZSA-N 2 2 288.417 0.531 20 0 CCADLP CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641499671 377182900 /nfs/dbraw/zinc/18/29/00/377182900.db2.gz GKUOPXKQYPQSDT-LBPRGKRZSA-N 2 2 288.417 0.531 20 0 CCADLP C[C@@H]1CN(c2cc(N3CCSCC3)[nH+]cn2)C[C@H]1[NH3+] ZINC000569336484 291669804 /nfs/dbraw/zinc/66/98/04/291669804.db2.gz VBQQCSJOSFPKTQ-GHMZBOCLSA-N 2 2 279.413 0.813 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)CO1 ZINC000641786313 377464391 /nfs/dbraw/zinc/46/43/91/377464391.db2.gz PGBPCVAWDVVXKN-OAGGEKHMSA-N 2 2 297.443 0.550 20 0 CCADLP Cc1cc(NC(=O)C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)on1 ZINC000641808387 377479952 /nfs/dbraw/zinc/47/99/52/377479952.db2.gz USEVACXXMNKODQ-DTWKUNHWSA-N 2 2 252.318 0.637 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000423671794 249013079 /nfs/dbraw/zinc/01/30/79/249013079.db2.gz CVBGTBKUTLMPRB-NXEZZACHSA-N 2 2 259.313 0.733 20 0 CCADLP C[C@H]([NH3+])[C@H](C)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000423671896 249013084 /nfs/dbraw/zinc/01/30/84/249013084.db2.gz CVBGTBKUTLMPRB-UWVGGRQHSA-N 2 2 259.313 0.733 20 0 CCADLP Cc1cc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)nc(C2CC2)[nH+]1 ZINC000515072157 249119672 /nfs/dbraw/zinc/11/96/72/249119672.db2.gz HQENDGCIEYCHCB-NWDGAFQWSA-N 2 2 287.367 0.411 20 0 CCADLP C[C@H]1CC[C@H]1[NH2+]C[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000516457003 249165006 /nfs/dbraw/zinc/16/50/06/249165006.db2.gz WIHUWTVMCUVYBK-RYMFRWLXSA-N 2 2 256.390 0.845 20 0 CCADLP [NH3+][C@@H](C(=O)N1CC[NH+]2CCC1CC2)c1cscn1 ZINC000517234975 249210033 /nfs/dbraw/zinc/21/00/33/249210033.db2.gz YPRWWWCGZCHMHT-LLVKDONJSA-N 2 2 266.370 0.450 20 0 CCADLP Cc1cc(NC(=O)C[N@H+](C)C2CC([NH3+])C2)n(C)n1 ZINC000518776499 249260954 /nfs/dbraw/zinc/26/09/54/249260954.db2.gz DTFHZYWHRDIOIA-UHFFFAOYSA-N 2 2 251.334 0.089 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+](C)C2CC([NH3+])C2)n(C)n1 ZINC000518776499 249260955 /nfs/dbraw/zinc/26/09/55/249260955.db2.gz DTFHZYWHRDIOIA-UHFFFAOYSA-N 2 2 251.334 0.089 20 0 CCADLP C[C@@]1(CNc2nc[nH+]c(N)c2Cl)CCC[NH2+]C1 ZINC000643024877 377693951 /nfs/dbraw/zinc/69/39/51/377693951.db2.gz KPNBPMLDCSABKM-LLVKDONJSA-N 2 2 255.753 0.936 20 0 CCADLP C[C@@]1(CNc2[nH+]cnc(N)c2Cl)CCC[NH2+]C1 ZINC000643024877 377693956 /nfs/dbraw/zinc/69/39/56/377693956.db2.gz KPNBPMLDCSABKM-LLVKDONJSA-N 2 2 255.753 0.936 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)CN2CC[NH+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000574700848 335041053 /nfs/dbraw/zinc/04/10/53/335041053.db2.gz LCCRGYMBSGROSR-QLFBSQMISA-N 2 2 299.459 0.483 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)CN2CC[NH+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000574700848 335041054 /nfs/dbraw/zinc/04/10/54/335041054.db2.gz LCCRGYMBSGROSR-QLFBSQMISA-N 2 2 299.459 0.483 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN2CC[N@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000574700848 335041055 /nfs/dbraw/zinc/04/10/55/335041055.db2.gz LCCRGYMBSGROSR-QLFBSQMISA-N 2 2 299.459 0.483 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN2CC[N@@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000574700848 335041057 /nfs/dbraw/zinc/04/10/57/335041057.db2.gz LCCRGYMBSGROSR-QLFBSQMISA-N 2 2 299.459 0.483 20 0 CCADLP Cc1cc(NC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc[nH+]1 ZINC000334822045 207137554 /nfs/dbraw/zinc/13/75/54/207137554.db2.gz ACZAPVLAGJDLNO-JTQLQIEISA-N 2 2 270.283 0.931 20 0 CCADLP CC1(C)CN(C(=O)NCCn2cc[nH+]c2)CC[NH2+]1 ZINC000334909940 207278782 /nfs/dbraw/zinc/27/87/82/207278782.db2.gz NTFFGEZQNUGDKU-UHFFFAOYSA-N 2 2 251.334 0.277 20 0 CCADLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CC[NH+](Cc2ccco2)CC1 ZINC000334941197 207327993 /nfs/dbraw/zinc/32/79/93/207327993.db2.gz WUBGYBVKYUDCDK-WDNDVIMCSA-N 2 2 290.367 0.325 20 0 CCADLP C[C@@H](CC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)n1cc[nH+]c1 ZINC000571458337 291816074 /nfs/dbraw/zinc/81/60/74/291816074.db2.gz YHUDQOAQKBKGEU-UONOGXRCSA-N 2 2 291.399 0.340 20 0 CCADLP COCC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000104067396 285009014 /nfs/dbraw/zinc/00/90/14/285009014.db2.gz GBYRNYFYYOUECC-LBPRGKRZSA-N 2 2 255.362 0.047 20 0 CCADLP COCC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000104067396 285009017 /nfs/dbraw/zinc/00/90/17/285009017.db2.gz GBYRNYFYYOUECC-LBPRGKRZSA-N 2 2 255.362 0.047 20 0 CCADLP CCOCCNC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246333008 285015483 /nfs/dbraw/zinc/01/54/83/285015483.db2.gz DSJVMBNXINYOHD-QWHCGFSZSA-N 2 2 271.405 0.554 20 0 CCADLP CCOCCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246333008 285015491 /nfs/dbraw/zinc/01/54/91/285015491.db2.gz DSJVMBNXINYOHD-QWHCGFSZSA-N 2 2 271.405 0.554 20 0 CCADLP CCOCCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246333008 285015494 /nfs/dbraw/zinc/01/54/94/285015494.db2.gz DSJVMBNXINYOHD-QWHCGFSZSA-N 2 2 271.405 0.554 20 0 CCADLP CCOCCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246333008 285015496 /nfs/dbraw/zinc/01/54/96/285015496.db2.gz DSJVMBNXINYOHD-QWHCGFSZSA-N 2 2 271.405 0.554 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)N[C@@H]3CC[NH2+]C3)cn21 ZINC000335200279 207904403 /nfs/dbraw/zinc/90/44/03/207904403.db2.gz UAJAHHCPFGQVEF-LLVKDONJSA-N 2 2 273.340 0.804 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000571794137 291838175 /nfs/dbraw/zinc/83/81/75/291838175.db2.gz JXZLBMDVIUFYAM-CYBMUJFWSA-N 2 2 269.389 0.167 20 0 CCADLP C[C@@]1(O)CCC[N@H+](C[C@H](O)C[NH+]2CCC[C@](C)(O)C2)C1 ZINC000248725358 285077164 /nfs/dbraw/zinc/07/71/64/285077164.db2.gz HQLNIGJHADSUBX-QDMKHBRRSA-N 2 2 286.416 0.041 20 0 CCADLP C[C@@]1(O)CCC[N@@H+](C[C@H](O)C[NH+]2CCC[C@](C)(O)C2)C1 ZINC000248725358 285077166 /nfs/dbraw/zinc/07/71/66/285077166.db2.gz HQLNIGJHADSUBX-QDMKHBRRSA-N 2 2 286.416 0.041 20 0 CCADLP C[C@@]1(O)CCC[NH+](C[C@H](O)C[N@@H+]2CCC[C@](C)(O)C2)C1 ZINC000248725358 285077167 /nfs/dbraw/zinc/07/71/67/285077167.db2.gz HQLNIGJHADSUBX-QDMKHBRRSA-N 2 2 286.416 0.041 20 0 CCADLP C[C@@]1(O)CCC[NH+](C[C@H](O)C[N@H+]2CCC[C@](C)(O)C2)C1 ZINC000248725358 285077170 /nfs/dbraw/zinc/07/71/70/285077170.db2.gz HQLNIGJHADSUBX-QDMKHBRRSA-N 2 2 286.416 0.041 20 0 CCADLP CO[C@@H]1CCC[NH+](CC(O)C[N@H+]2CCC[C@@H](OC)C2)C1 ZINC000248725326 285077261 /nfs/dbraw/zinc/07/72/61/285077261.db2.gz HNERPCVLXSREHM-HUUCEWRRSA-N 2 2 286.416 0.569 20 0 CCADLP CO[C@@H]1CCC[NH+](CC(O)C[N@@H+]2CCC[C@@H](OC)C2)C1 ZINC000248725326 285077262 /nfs/dbraw/zinc/07/72/62/285077262.db2.gz HNERPCVLXSREHM-HUUCEWRRSA-N 2 2 286.416 0.569 20 0 CCADLP Cc1cc(CNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc(C)[nH+]1 ZINC000572002067 291851792 /nfs/dbraw/zinc/85/17/92/291851792.db2.gz ZZGHMRUKSNYGAQ-ZJUUUORDSA-N 2 2 292.383 0.557 20 0 CCADLP CC(C)n1cc[nH+]c1CNC[C@](C)(O)C[NH+](C)C ZINC000657415246 412984084 /nfs/dbraw/zinc/98/40/84/412984084.db2.gz GWENKFLIIHESTO-ZDUSSCGKSA-N 2 2 254.378 0.866 20 0 CCADLP CNC(=O)[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)C(C)C ZINC000657412475 412984598 /nfs/dbraw/zinc/98/45/98/412984598.db2.gz FSRBEJCLITXIQP-LBPRGKRZSA-N 2 2 250.346 0.690 20 0 CCADLP C[C@H](C[NH2+]Cc1c[nH+]c2n1CCC2)S(C)(=O)=O ZINC000657417235 412985514 /nfs/dbraw/zinc/98/55/14/412985514.db2.gz VQWGOTNPBIKTDI-SECBINFHSA-N 2 2 257.359 0.352 20 0 CCADLP COCCOCC[N@H+](C)Cc1c[nH+]c(N(C)C)n1C ZINC000425388118 533073721 /nfs/dbraw/zinc/07/37/21/533073721.db2.gz VYYGIVNAWMSERK-UHFFFAOYSA-N 2 2 270.377 0.581 20 0 CCADLP COCCOCC[N@@H+](C)Cc1c[nH+]c(N(C)C)n1C ZINC000425388118 533073727 /nfs/dbraw/zinc/07/37/27/533073727.db2.gz VYYGIVNAWMSERK-UHFFFAOYSA-N 2 2 270.377 0.581 20 0 CCADLP C[C@H](C(=O)N1CC[NH+](C[C@H](C)O)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000249515790 285121451 /nfs/dbraw/zinc/12/14/51/285121451.db2.gz 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197061539 /nfs/dbraw/zinc/06/15/39/197061539.db2.gz XEMNCRVUFOVNFF-GFCCVEGCSA-N 2 2 280.372 0.521 20 0 CCADLP CN(C)C(=O)O[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000496197760 285266339 /nfs/dbraw/zinc/26/63/39/285266339.db2.gz PYZJRNIJAMCJST-CHWSQXEVSA-N 2 2 285.388 0.214 20 0 CCADLP CN(C)C(=O)O[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000496197760 285266341 /nfs/dbraw/zinc/26/63/41/285266341.db2.gz PYZJRNIJAMCJST-CHWSQXEVSA-N 2 2 285.388 0.214 20 0 CCADLP CN(C)C(=O)O[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000496197760 285266343 /nfs/dbraw/zinc/26/63/43/285266343.db2.gz PYZJRNIJAMCJST-CHWSQXEVSA-N 2 2 285.388 0.214 20 0 CCADLP CN(C)C(=O)O[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000496197760 285266345 /nfs/dbraw/zinc/26/63/45/285266345.db2.gz PYZJRNIJAMCJST-CHWSQXEVSA-N 2 2 285.388 0.214 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281268591 195174727 /nfs/dbraw/zinc/17/47/27/195174727.db2.gz HWIBYIUDZDBYQJ-NEPJUHHUSA-N 2 2 264.329 0.622 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/nfs/dbraw/zinc/31/14/66/285311466.db2.gz LDSCIOUNBLOBBA-TZMCWYRMSA-N 2 2 297.447 0.014 20 0 CCADLP C[C@H](CNC(=O)NC[C@@H]1CN(C)CC[NH+]1C)[N@H+](C)C1CC1 ZINC000524262692 285311468 /nfs/dbraw/zinc/31/14/68/285311468.db2.gz LDSCIOUNBLOBBA-TZMCWYRMSA-N 2 2 297.447 0.014 20 0 CCADLP C[C@H](CNC(=O)NC[C@@H]1CN(C)CC[NH+]1C)[N@@H+](C)C1CC1 ZINC000524262692 285311473 /nfs/dbraw/zinc/31/14/73/285311473.db2.gz LDSCIOUNBLOBBA-TZMCWYRMSA-N 2 2 297.447 0.014 20 0 CCADLP CC[N@H+](CCO)CCNC(=O)Nc1cc[nH+]c(C)c1 ZINC000185468409 388804599 /nfs/dbraw/zinc/80/45/99/388804599.db2.gz VTFUXYNKHNOHKM-UHFFFAOYSA-N 2 2 266.345 0.826 20 0 CCADLP CC[N@@H+](CCO)CCNC(=O)Nc1cc[nH+]c(C)c1 ZINC000185468409 388804601 /nfs/dbraw/zinc/80/46/01/388804601.db2.gz VTFUXYNKHNOHKM-UHFFFAOYSA-N 2 2 266.345 0.826 20 0 CCADLP COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1CCCc1c[nH+]ccc1C ZINC000289683496 388881946 /nfs/dbraw/zinc/88/19/46/388881946.db2.gz MVCLUATUNPUFMT-ZIAGYGMSSA-N 2 2 278.352 0.931 20 0 CCADLP COC(=O)[C@H]1C[C@@H](O)C[N@H+]1CCCc1c[nH+]ccc1C ZINC000289683496 388881947 /nfs/dbraw/zinc/88/19/47/388881947.db2.gz MVCLUATUNPUFMT-ZIAGYGMSSA-N 2 2 278.352 0.931 20 0 CCADLP CCCC[N@H+](CC(N)=O)CC(=O)NC1CC[NH+](CC)CC1 ZINC000048048282 388886666 /nfs/dbraw/zinc/88/66/66/388886666.db2.gz FMIILXNJHQSJEV-UHFFFAOYSA-N 2 2 298.431 0.174 20 0 CCADLP CCCC[N@@H+](CC(N)=O)CC(=O)NC1CC[NH+](CC)CC1 ZINC000048048282 388886670 /nfs/dbraw/zinc/88/66/70/388886670.db2.gz FMIILXNJHQSJEV-UHFFFAOYSA-N 2 2 298.431 0.174 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1c[nH+]cn1C ZINC000290997475 388915545 /nfs/dbraw/zinc/91/55/45/388915545.db2.gz KYUAAERCJLJUAZ-NSHDSACASA-N 2 2 265.361 0.704 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNC(=O)NCc1c[nH+]cn1C ZINC000290997475 388915548 /nfs/dbraw/zinc/91/55/48/388915548.db2.gz KYUAAERCJLJUAZ-NSHDSACASA-N 2 2 265.361 0.704 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](CCO)[C@H](C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000189619355 388966060 /nfs/dbraw/zinc/96/60/60/388966060.db2.gz CCCYBASLQGNKSK-TUVASFSCSA-N 2 2 297.443 0.773 20 0 CCADLP C[C@@H](NC(=O)NCc1c[nH+]cn1C)C1=CC[N@H+](C)CC1 ZINC000292398798 388949202 /nfs/dbraw/zinc/94/92/02/388949202.db2.gz MSYUEISHRBAXEA-LLVKDONJSA-N 2 2 277.372 0.870 20 0 CCADLP C[C@@H](NC(=O)NCc1c[nH+]cn1C)C1=CC[N@@H+](C)CC1 ZINC000292398798 388949205 /nfs/dbraw/zinc/94/92/05/388949205.db2.gz MSYUEISHRBAXEA-LLVKDONJSA-N 2 2 277.372 0.870 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000073472018 388976772 /nfs/dbraw/zinc/97/67/72/388976772.db2.gz ZTJZOMZGIIKFFV-GFCCVEGCSA-N 2 2 290.367 0.739 20 0 CCADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NC(=O)NC)C1 ZINC000081571948 389000811 /nfs/dbraw/zinc/00/08/11/389000811.db2.gz WEKRJZFDJLUVOJ-NWDGAFQWSA-N 2 2 284.404 0.494 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NC(=O)NC)C1 ZINC000081571948 389000812 /nfs/dbraw/zinc/00/08/12/389000812.db2.gz WEKRJZFDJLUVOJ-NWDGAFQWSA-N 2 2 284.404 0.494 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C1 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0.923 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC(O)(C(F)(F)F)CC1)C1CC1 ZINC000336844296 389025885 /nfs/dbraw/zinc/02/58/85/389025885.db2.gz YWHHQQFEDQQLAL-NSHDSACASA-N 2 2 296.333 0.831 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(O)(C(F)(F)F)CC1)C1CC1 ZINC000336844296 389025888 /nfs/dbraw/zinc/02/58/88/389025888.db2.gz YWHHQQFEDQQLAL-NSHDSACASA-N 2 2 296.333 0.831 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cnc(C)cn3)C2)CC1 ZINC000336838790 389026242 /nfs/dbraw/zinc/02/62/42/389026242.db2.gz RCGMGDFUWIVGDO-INIZCTEOSA-N 2 2 289.427 0.997 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnc(C)cn3)C2)CC1 ZINC000336838790 389026248 /nfs/dbraw/zinc/02/62/48/389026248.db2.gz RCGMGDFUWIVGDO-INIZCTEOSA-N 2 2 289.427 0.997 20 0 CCADLP CC(C)[C@@H]1CN(CC[N@@H+]2CCOC[C@@H]2C)CC[NH+]1C ZINC000337233737 389056883 /nfs/dbraw/zinc/05/68/83/389056883.db2.gz KOJORXCRJLCYNF-GJZGRUSLSA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@@H]1CN(CC[N@H+]2CCOC[C@@H]2C)CC[NH+]1C ZINC000337233737 389056885 /nfs/dbraw/zinc/05/68/85/389056885.db2.gz KOJORXCRJLCYNF-GJZGRUSLSA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@@H]1CN(CC[NH+]2CCOC[C@@H]2C)CC[N@@H+]1C ZINC000337233737 389056889 /nfs/dbraw/zinc/05/68/89/389056889.db2.gz KOJORXCRJLCYNF-GJZGRUSLSA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@@H]1CN(CC[NH+]2CCOC[C@@H]2C)CC[N@H+]1C ZINC000337233737 389056891 /nfs/dbraw/zinc/05/68/91/389056891.db2.gz KOJORXCRJLCYNF-GJZGRUSLSA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@@H]1CN(CC[N@@H+]2CCOC[C@H]2C)CC[NH+]1C ZINC000337233736 389057414 /nfs/dbraw/zinc/05/74/14/389057414.db2.gz KOJORXCRJLCYNF-CABCVRRESA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@@H]1CN(CC[N@H+]2CCOC[C@H]2C)CC[NH+]1C ZINC000337233736 389057416 /nfs/dbraw/zinc/05/74/16/389057416.db2.gz KOJORXCRJLCYNF-CABCVRRESA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@@H]1CN(CC[NH+]2CCOC[C@H]2C)CC[N@@H+]1C ZINC000337233736 389057419 /nfs/dbraw/zinc/05/74/19/389057419.db2.gz KOJORXCRJLCYNF-CABCVRRESA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@@H]1CN(CC[NH+]2CCOC[C@H]2C)CC[N@H+]1C ZINC000337233736 389057420 /nfs/dbraw/zinc/05/74/20/389057420.db2.gz KOJORXCRJLCYNF-CABCVRRESA-N 2 2 269.433 0.979 20 0 CCADLP C[C@@H](CCN1CC[NH+](C)CC1)Nc1nc(N(C)C)cc[nH+]1 ZINC000302232026 389066577 /nfs/dbraw/zinc/06/65/77/389066577.db2.gz CJLAWMKIAQCKIE-ZDUSSCGKSA-N 2 2 292.431 0.981 20 0 CCADLP C[C@@H](CC[NH+]1CCN(C)CC1)Nc1nc(N(C)C)cc[nH+]1 ZINC000302232026 389066578 /nfs/dbraw/zinc/06/65/78/389066578.db2.gz CJLAWMKIAQCKIE-ZDUSSCGKSA-N 2 2 292.431 0.981 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000104598947 389083892 /nfs/dbraw/zinc/08/38/92/389083892.db2.gz OGDWOPIIKFUPIJ-QWHCGFSZSA-N 2 2 271.405 0.552 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000104598947 389083894 /nfs/dbraw/zinc/08/38/94/389083894.db2.gz OGDWOPIIKFUPIJ-QWHCGFSZSA-N 2 2 271.405 0.552 20 0 CCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)NCC[NH+]1CCOCC1 ZINC000355502582 389085792 /nfs/dbraw/zinc/08/57/92/389085792.db2.gz ICJSJMIOFAGNLT-CYBMUJFWSA-N 2 2 284.404 0.054 20 0 CCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCC[NH+]1CCOCC1 ZINC000355502582 389085794 /nfs/dbraw/zinc/08/57/94/389085794.db2.gz ICJSJMIOFAGNLT-CYBMUJFWSA-N 2 2 284.404 0.054 20 0 CCADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000358235473 389145124 /nfs/dbraw/zinc/14/51/24/389145124.db2.gz IJDHZTCEEKBMNP-AHLTXXRQSA-N 2 2 265.401 0.973 20 0 CCADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000358235473 389145126 /nfs/dbraw/zinc/14/51/26/389145126.db2.gz IJDHZTCEEKBMNP-AHLTXXRQSA-N 2 2 265.401 0.973 20 0 CCADLP CC[N@@H+]1C[C@@H](C)N(CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000338276513 389103238 /nfs/dbraw/zinc/10/32/38/389103238.db2.gz ASGNVDRWHQSYEF-LSDHHAIUSA-N 2 2 296.459 0.565 20 0 CCADLP CC[N@H+]1C[C@@H](C)N(CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000338276513 389103241 /nfs/dbraw/zinc/10/32/41/389103241.db2.gz ASGNVDRWHQSYEF-LSDHHAIUSA-N 2 2 296.459 0.565 20 0 CCADLP CCN1C[C@@H](C)[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000338276513 389103243 /nfs/dbraw/zinc/10/32/43/389103243.db2.gz ASGNVDRWHQSYEF-LSDHHAIUSA-N 2 2 296.459 0.565 20 0 CCADLP CCN1C[C@@H](C)[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000338276513 389103245 /nfs/dbraw/zinc/10/32/45/389103245.db2.gz ASGNVDRWHQSYEF-LSDHHAIUSA-N 2 2 296.459 0.565 20 0 CCADLP C[C@H]([NH2+]Cc1c[nH+]cn1C)C(=O)NCc1ccco1 ZINC000111399049 389107033 /nfs/dbraw/zinc/10/70/33/389107033.db2.gz FRTWXVFOOGCOIA-JTQLQIEISA-N 2 2 262.313 0.808 20 0 CCADLP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+]2CCCO[C@@H](C[NH3+])C2)C1 ZINC000313338347 389112528 /nfs/dbraw/zinc/11/25/28/389112528.db2.gz BLIFFFRUSTURRG-MCIONIFRSA-N 2 2 283.416 0.541 20 0 CCADLP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+]2CCCO[C@@H](C[NH3+])C2)C1 ZINC000313338347 389112531 /nfs/dbraw/zinc/11/25/31/389112531.db2.gz BLIFFFRUSTURRG-MCIONIFRSA-N 2 2 283.416 0.541 20 0 CCADLP CCOC[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000313307842 389112577 /nfs/dbraw/zinc/11/25/77/389112577.db2.gz ZSDBMDJBNCFKBV-GJZGRUSLSA-N 2 2 288.432 0.817 20 0 CCADLP CCOC[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000313307842 389112578 /nfs/dbraw/zinc/11/25/78/389112578.db2.gz ZSDBMDJBNCFKBV-GJZGRUSLSA-N 2 2 288.432 0.817 20 0 CCADLP CCOC[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)CCOC ZINC000313307842 389112580 /nfs/dbraw/zinc/11/25/80/389112580.db2.gz ZSDBMDJBNCFKBV-GJZGRUSLSA-N 2 2 288.432 0.817 20 0 CCADLP CCOC[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)CCOC ZINC000313307842 389112581 /nfs/dbraw/zinc/11/25/81/389112581.db2.gz ZSDBMDJBNCFKBV-GJZGRUSLSA-N 2 2 288.432 0.817 20 0 CCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313338305 389112671 /nfs/dbraw/zinc/11/26/71/389112671.db2.gz BELNEQVZXAMJCJ-RYUDHWBXSA-N 2 2 257.378 0.293 20 0 CCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313338305 389112672 /nfs/dbraw/zinc/11/26/72/389112672.db2.gz BELNEQVZXAMJCJ-RYUDHWBXSA-N 2 2 257.378 0.293 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N2CC[NH+](C)CC2)no1 ZINC000355699161 389113023 /nfs/dbraw/zinc/11/30/23/389113023.db2.gz HBEVDKKRYZITNN-UHFFFAOYSA-N 2 2 252.318 0.124 20 0 CCADLP CC(C)[NH2+]C1CCN(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000111788018 389114254 /nfs/dbraw/zinc/11/42/54/389114254.db2.gz PNQGMIZMNMTXNC-UHFFFAOYSA-N 2 2 298.431 0.491 20 0 CCADLP COC(=O)[C@@H]1CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000314043026 389116332 /nfs/dbraw/zinc/11/63/32/389116332.db2.gz FKNKBUPFUBDDAC-LBPRGKRZSA-N 2 2 251.330 0.990 20 0 CCADLP COC(=O)[C@@H]1CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000314043026 389116334 /nfs/dbraw/zinc/11/63/34/389116334.db2.gz FKNKBUPFUBDDAC-LBPRGKRZSA-N 2 2 251.330 0.990 20 0 CCADLP CCC[NH+]1CCC(N2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000112358892 389124559 /nfs/dbraw/zinc/12/45/59/389124559.db2.gz IGELRLXSEXJWFF-UHFFFAOYSA-N 2 2 296.459 0.567 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC[N@H+]1C ZINC000356832629 389128976 /nfs/dbraw/zinc/12/89/76/389128976.db2.gz ATDHKUWKNHSGAP-AGIUHOORSA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC[N@@H+]1C ZINC000356832629 389128977 /nfs/dbraw/zinc/12/89/77/389128977.db2.gz ATDHKUWKNHSGAP-AGIUHOORSA-N 2 2 276.384 0.997 20 0 CCADLP CC[C@@H]1C(=O)NCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000328706158 389132667 /nfs/dbraw/zinc/13/26/67/389132667.db2.gz YYFWCPRIABQPOV-GFCCVEGCSA-N 2 2 282.388 0.201 20 0 CCADLP CC[C@@H]1C(=O)NCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000328706158 389132670 /nfs/dbraw/zinc/13/26/70/389132670.db2.gz YYFWCPRIABQPOV-GFCCVEGCSA-N 2 2 282.388 0.201 20 0 CCADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)NCC3CC3)C2)C1 ZINC000339432703 389133730 /nfs/dbraw/zinc/13/37/30/389133730.db2.gz KQUCMQYRDNDZJS-OAHLLOKOSA-N 2 2 265.401 0.930 20 0 CCADLP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)NCC3CC3)C2)C1 ZINC000339432703 389133734 /nfs/dbraw/zinc/13/37/34/389133734.db2.gz KQUCMQYRDNDZJS-OAHLLOKOSA-N 2 2 265.401 0.930 20 0 CCADLP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)NCC3CC3)C2)C1 ZINC000339432703 389133736 /nfs/dbraw/zinc/13/37/36/389133736.db2.gz KQUCMQYRDNDZJS-OAHLLOKOSA-N 2 2 265.401 0.930 20 0 CCADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)NCC3CC3)C2)C1 ZINC000339432703 389133740 /nfs/dbraw/zinc/13/37/40/389133740.db2.gz KQUCMQYRDNDZJS-OAHLLOKOSA-N 2 2 265.401 0.930 20 0 CCADLP C[C@H]1C[NH+](CCC(=O)N2CC[NH+](C)CC2)C[C@H](C)N1C ZINC000339616282 389135896 /nfs/dbraw/zinc/13/58/96/389135896.db2.gz FZGLPQQTWDXSEH-KBPBESRZSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@H]1CN(CCC(=O)N2CC[NH+](C)CC2)C[C@H](C)[NH+]1C ZINC000339616282 389135901 /nfs/dbraw/zinc/13/59/01/389135901.db2.gz FZGLPQQTWDXSEH-KBPBESRZSA-N 2 2 282.432 0.175 20 0 CCADLP CC[N@H+](C)CCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000129055907 389181945 /nfs/dbraw/zinc/18/19/45/389181945.db2.gz WJMIRYTZYGMRRH-CYBMUJFWSA-N 2 2 291.399 0.911 20 0 CCADLP CC[N@@H+](C)CCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000129055907 389181947 /nfs/dbraw/zinc/18/19/47/389181947.db2.gz WJMIRYTZYGMRRH-CYBMUJFWSA-N 2 2 291.399 0.911 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000360098477 389190473 /nfs/dbraw/zinc/19/04/73/389190473.db2.gz OZZUPLMITFKWTD-ZIAGYGMSSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000360098477 389190478 /nfs/dbraw/zinc/19/04/78/389190478.db2.gz OZZUPLMITFKWTD-ZIAGYGMSSA-N 2 2 281.400 0.404 20 0 CCADLP [NH3+]CC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000237970933 389198240 /nfs/dbraw/zinc/19/82/40/389198240.db2.gz FMSCCUZYUHHZKZ-CYBMUJFWSA-N 2 2 263.341 0.135 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360563653 389200095 /nfs/dbraw/zinc/20/00/95/389200095.db2.gz PETPXBCNNYPTIZ-FZMZJTMJSA-N 2 2 282.388 0.295 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360563653 389200096 /nfs/dbraw/zinc/20/00/96/389200096.db2.gz PETPXBCNNYPTIZ-FZMZJTMJSA-N 2 2 282.388 0.295 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CCN(CC(F)(F)F)C1 ZINC000521423724 262325983 /nfs/dbraw/zinc/32/59/83/262325983.db2.gz KMKYPNYQGMRGQO-WOPDTQHZSA-N 2 2 295.349 0.980 20 0 CCADLP CO[C@@H]1CC[N@H+](CCCN2CCOCC2)[C@H](C[NH3+])C1 ZINC000359052172 389165979 /nfs/dbraw/zinc/16/59/79/389165979.db2.gz FTOZPZOXCLZMTP-UONOGXRCSA-N 2 2 271.405 0.147 20 0 CCADLP CO[C@@H]1CC[N@@H+](CCCN2CCOCC2)[C@H](C[NH3+])C1 ZINC000359052172 389165981 /nfs/dbraw/zinc/16/59/81/389165981.db2.gz FTOZPZOXCLZMTP-UONOGXRCSA-N 2 2 271.405 0.147 20 0 CCADLP CO[C@@H]1CC[N@H+](CCN2CCCC2=O)[C@H](C[NH3+])C1 ZINC000359041470 389166275 /nfs/dbraw/zinc/16/62/75/389166275.db2.gz IZVKQDUTHYMIMN-NWDGAFQWSA-N 2 2 255.362 0.047 20 0 CCADLP CO[C@@H]1CC[N@@H+](CCN2CCCC2=O)[C@H](C[NH3+])C1 ZINC000359041470 389166277 /nfs/dbraw/zinc/16/62/77/389166277.db2.gz IZVKQDUTHYMIMN-NWDGAFQWSA-N 2 2 255.362 0.047 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000362749468 389240632 /nfs/dbraw/zinc/24/06/32/389240632.db2.gz YRCRNAKINNLFFC-OLZOCXBDSA-N 2 2 283.416 0.411 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH+]1CCOCC1(C)C ZINC000362749468 389240633 /nfs/dbraw/zinc/24/06/33/389240633.db2.gz YRCRNAKINNLFFC-OLZOCXBDSA-N 2 2 283.416 0.411 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000362749468 389240635 /nfs/dbraw/zinc/24/06/35/389240635.db2.gz YRCRNAKINNLFFC-OLZOCXBDSA-N 2 2 283.416 0.411 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000362749468 389240637 /nfs/dbraw/zinc/24/06/37/389240637.db2.gz YRCRNAKINNLFFC-OLZOCXBDSA-N 2 2 283.416 0.411 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000362906227 389244000 /nfs/dbraw/zinc/24/40/00/389244000.db2.gz WARSQHCDAFJCBP-MXWKQRLJSA-N 2 2 262.357 0.581 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000362906227 389244002 /nfs/dbraw/zinc/24/40/02/389244002.db2.gz WARSQHCDAFJCBP-MXWKQRLJSA-N 2 2 262.357 0.581 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000362906227 389244005 /nfs/dbraw/zinc/24/40/05/389244005.db2.gz WARSQHCDAFJCBP-MXWKQRLJSA-N 2 2 262.357 0.581 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000362906227 389244009 /nfs/dbraw/zinc/24/40/09/389244009.db2.gz WARSQHCDAFJCBP-MXWKQRLJSA-N 2 2 262.357 0.581 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000342721260 389248373 /nfs/dbraw/zinc/24/83/73/389248373.db2.gz YWGADNKKMCKXLC-GHMZBOCLSA-N 2 2 291.342 0.068 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000342721260 389248376 /nfs/dbraw/zinc/24/83/76/389248376.db2.gz YWGADNKKMCKXLC-GHMZBOCLSA-N 2 2 291.342 0.068 20 0 CCADLP COC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000135524963 389258745 /nfs/dbraw/zinc/25/87/45/389258745.db2.gz XMAINVDYIRLQFW-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP COC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000135524963 389258746 /nfs/dbraw/zinc/25/87/46/389258746.db2.gz XMAINVDYIRLQFW-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364425890 389263938 /nfs/dbraw/zinc/26/39/38/389263938.db2.gz PIPVYOOSBMNKQM-NWDGAFQWSA-N 2 2 264.373 0.902 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](Cc2ccncc2)CC1 ZINC000131342178 389211854 /nfs/dbraw/zinc/21/18/54/389211854.db2.gz NFRRYFZYJGUYIR-HNNXBMFYSA-N 2 2 288.395 0.996 20 0 CCADLP CC[NH+](CC)[C@H](C)CNC(=O)NCc1[nH+]ccn1C ZINC000264166938 389309824 /nfs/dbraw/zinc/30/98/24/389309824.db2.gz LKTLJFOFCYAQQF-LLVKDONJSA-N 2 2 267.377 0.950 20 0 CCADLP COc1c(C[N@@H+]2CCC[C@H](C[NH3+])C2)c(C)nn1C ZINC000158492488 389343037 /nfs/dbraw/zinc/34/30/37/389343037.db2.gz ZKFVYEFOQCUDSR-LLVKDONJSA-N 2 2 252.362 0.908 20 0 CCADLP COc1c(C[N@H+]2CCC[C@H](C[NH3+])C2)c(C)nn1C ZINC000158492488 389343041 /nfs/dbraw/zinc/34/30/41/389343041.db2.gz ZKFVYEFOQCUDSR-LLVKDONJSA-N 2 2 252.362 0.908 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000367085065 389319601 /nfs/dbraw/zinc/31/96/01/389319601.db2.gz OUWGYFSLPWDXGA-AWEZNQCLSA-N 2 2 285.351 0.841 20 0 CCADLP COCCC[N@H+](C)CC[NH2+][C@H](C)Cn1cccn1 ZINC000138684658 389271730 /nfs/dbraw/zinc/27/17/30/389271730.db2.gz XONGYVQOIGWAGY-CYBMUJFWSA-N 2 2 254.378 0.830 20 0 CCADLP COCCC[N@@H+](C)CC[NH2+][C@H](C)Cn1cccn1 ZINC000138684658 389271732 /nfs/dbraw/zinc/27/17/32/389271732.db2.gz XONGYVQOIGWAGY-CYBMUJFWSA-N 2 2 254.378 0.830 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343886632 389275058 /nfs/dbraw/zinc/27/50/58/389275058.db2.gz KETYHQZFSYRKMH-KFWWJZLASA-N 2 2 296.459 0.421 20 0 CCADLP CN(C)c1nccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)n1 ZINC000331012264 389282652 /nfs/dbraw/zinc/28/26/52/389282652.db2.gz NMRAWQGKNCYMTJ-UHFFFAOYSA-N 2 2 293.415 0.479 20 0 CCADLP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366478221 389302728 /nfs/dbraw/zinc/30/27/28/389302728.db2.gz DJGCELLGHKOMLI-GXTWGEPZSA-N 2 2 253.390 0.929 20 0 CCADLP CCCNC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366478221 389302731 /nfs/dbraw/zinc/30/27/31/389302731.db2.gz DJGCELLGHKOMLI-GXTWGEPZSA-N 2 2 253.390 0.929 20 0 CCADLP CCCNC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366478221 389302733 /nfs/dbraw/zinc/30/27/33/389302733.db2.gz DJGCELLGHKOMLI-GXTWGEPZSA-N 2 2 253.390 0.929 20 0 CCADLP CCCNC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366478221 389302736 /nfs/dbraw/zinc/30/27/36/389302736.db2.gz DJGCELLGHKOMLI-GXTWGEPZSA-N 2 2 253.390 0.929 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366561609 389304500 /nfs/dbraw/zinc/30/45/00/389304500.db2.gz SHXYXYLCNLULHU-WFASDCNBSA-N 2 2 296.415 0.637 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366561609 389304503 /nfs/dbraw/zinc/30/45/03/389304503.db2.gz SHXYXYLCNLULHU-WFASDCNBSA-N 2 2 296.415 0.637 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366561609 389304505 /nfs/dbraw/zinc/30/45/05/389304505.db2.gz SHXYXYLCNLULHU-WFASDCNBSA-N 2 2 296.415 0.637 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366561609 389304508 /nfs/dbraw/zinc/30/45/08/389304508.db2.gz SHXYXYLCNLULHU-WFASDCNBSA-N 2 2 296.415 0.637 20 0 CCADLP C[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)CC1CCC1 ZINC000348186809 389368324 /nfs/dbraw/zinc/36/83/24/389368324.db2.gz CUWHUZHAZVJBMC-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP C[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)CC1CCC1 ZINC000348186809 389368327 /nfs/dbraw/zinc/36/83/27/389368327.db2.gz CUWHUZHAZVJBMC-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP CO[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369279483 389392071 /nfs/dbraw/zinc/39/20/71/389392071.db2.gz XJHAGXCPOYUWBV-VXGBXAGGSA-N 2 2 269.389 0.306 20 0 CCADLP CO[C@H](C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369279483 389392074 /nfs/dbraw/zinc/39/20/74/389392074.db2.gz XJHAGXCPOYUWBV-VXGBXAGGSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@H](CC(=O)N1CCCCCC1)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000333086623 389404343 /nfs/dbraw/zinc/40/43/43/389404343.db2.gz BRYIXDJTBBNMML-KGLIPLIRSA-N 2 2 283.416 0.746 20 0 CCADLP c1cn(CC[N@@H+]2CCOC3(CCOCC3)C2)c[nH+]1 ZINC000162312390 389418872 /nfs/dbraw/zinc/41/88/72/389418872.db2.gz UYSSYAUFSCGPEJ-UHFFFAOYSA-N 2 2 251.330 0.765 20 0 CCADLP c1cn(CC[N@H+]2CCOC3(CCOCC3)C2)c[nH+]1 ZINC000162312390 389418874 /nfs/dbraw/zinc/41/88/74/389418874.db2.gz UYSSYAUFSCGPEJ-UHFFFAOYSA-N 2 2 251.330 0.765 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(CO)o1 ZINC000266203537 389364605 /nfs/dbraw/zinc/36/46/05/389364605.db2.gz LXHDFTSKGIZCCG-CYBMUJFWSA-N 2 2 281.356 0.201 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(CO)o1 ZINC000266203537 389364610 /nfs/dbraw/zinc/36/46/10/389364610.db2.gz LXHDFTSKGIZCCG-CYBMUJFWSA-N 2 2 281.356 0.201 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000170866866 389466289 /nfs/dbraw/zinc/46/62/89/389466289.db2.gz QECOHFWIUAIFHV-UHFFFAOYSA-N 2 2 271.405 0.555 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000170866866 389466294 /nfs/dbraw/zinc/46/62/94/389466294.db2.gz QECOHFWIUAIFHV-UHFFFAOYSA-N 2 2 271.405 0.555 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN2C(=O)CC[C@@H]2C1 ZINC000334319394 389466797 /nfs/dbraw/zinc/46/67/97/389466797.db2.gz XUPVILRAOAHJPP-QWHCGFSZSA-N 2 2 251.374 0.777 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN2C(=O)CC[C@@H]2C1 ZINC000334319394 389466803 /nfs/dbraw/zinc/46/68/03/389466803.db2.gz XUPVILRAOAHJPP-QWHCGFSZSA-N 2 2 251.374 0.777 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000334319394 389466807 /nfs/dbraw/zinc/46/68/07/389466807.db2.gz XUPVILRAOAHJPP-QWHCGFSZSA-N 2 2 251.374 0.777 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000334319394 389466810 /nfs/dbraw/zinc/46/68/10/389466810.db2.gz XUPVILRAOAHJPP-QWHCGFSZSA-N 2 2 251.374 0.777 20 0 CCADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccnc(N)c3)CC2)C1 ZINC000373277766 389469353 /nfs/dbraw/zinc/46/93/53/389469353.db2.gz IGRFPYJGMQXEAK-OAHLLOKOSA-N 2 2 289.427 0.706 20 0 CCADLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccnc(N)c3)CC2)C1 ZINC000373277766 389469357 /nfs/dbraw/zinc/46/93/57/389469357.db2.gz IGRFPYJGMQXEAK-OAHLLOKOSA-N 2 2 289.427 0.706 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccccc1OCCO ZINC000422778839 389473861 /nfs/dbraw/zinc/47/38/61/389473861.db2.gz HVGFRGNYIZRPIS-UKRRQHHQSA-N 2 2 294.395 0.914 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC000422786333 389475512 /nfs/dbraw/zinc/47/55/12/389475512.db2.gz KVDIBLCRWSJHQK-BXUZGUMPSA-N 2 2 277.368 0.638 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CCC(C[NH2+]C)CC1 ZINC000422801263 389477920 /nfs/dbraw/zinc/47/79/20/389477920.db2.gz BOWYLBYWNSCOFF-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CCC(C[NH2+]C)CC1 ZINC000422801263 389477925 /nfs/dbraw/zinc/47/79/25/389477925.db2.gz BOWYLBYWNSCOFF-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP O=C(NCC[C@H]1CC[NH2+]C1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000422810674 389479507 /nfs/dbraw/zinc/47/95/07/389479507.db2.gz SDJKHCCMYXHAFC-UKRRQHHQSA-N 2 2 295.427 0.603 20 0 CCADLP O=C(NCC[C@H]1CC[NH2+]C1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000422810674 389479512 /nfs/dbraw/zinc/47/95/12/389479512.db2.gz SDJKHCCMYXHAFC-UKRRQHHQSA-N 2 2 295.427 0.603 20 0 CCADLP c1cnn(CCC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422815902 389480708 /nfs/dbraw/zinc/48/07/08/389480708.db2.gz YNGPVDACHLWNMY-KBPBESRZSA-N 2 2 264.373 0.630 20 0 CCADLP CC(C)[NH+]1CCN(CC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000172383990 389488061 /nfs/dbraw/zinc/48/80/61/389488061.db2.gz RTLMETOUQZLLLQ-CQSZACIVSA-N 2 2 255.406 0.733 20 0 CCADLP CC(C)[NH+]1CCN(CC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000172383990 389488065 /nfs/dbraw/zinc/48/80/65/389488065.db2.gz RTLMETOUQZLLLQ-CQSZACIVSA-N 2 2 255.406 0.733 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@H](C)C[NH+]1CCCCC1 ZINC000422838866 389488342 /nfs/dbraw/zinc/48/83/42/389488342.db2.gz YKPLUJIJMKOFFM-MGPQQGTHSA-N 2 2 283.416 0.744 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CN1C1CC1 ZINC000422848663 389491126 /nfs/dbraw/zinc/49/11/26/389491126.db2.gz BCJNSMUTHHVCJL-JMGFVUJMSA-N 2 2 279.428 0.968 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN2C(=O)OC[C@@H]2C1 ZINC000371197121 389427884 /nfs/dbraw/zinc/42/78/84/389427884.db2.gz HDJPWICEESUSHX-RYUDHWBXSA-N 2 2 253.346 0.607 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN2C(=O)OC[C@@H]2C1 ZINC000371197121 389427888 /nfs/dbraw/zinc/42/78/88/389427888.db2.gz HDJPWICEESUSHX-RYUDHWBXSA-N 2 2 253.346 0.607 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000371197121 389427890 /nfs/dbraw/zinc/42/78/90/389427890.db2.gz HDJPWICEESUSHX-RYUDHWBXSA-N 2 2 253.346 0.607 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000371197121 389427893 /nfs/dbraw/zinc/42/78/93/389427893.db2.gz HDJPWICEESUSHX-RYUDHWBXSA-N 2 2 253.346 0.607 20 0 CCADLP O=C(NC[C@@H]1CCC[NH2+]1)N1CCN(c2cccc[nH+]2)CC1 ZINC000333835021 389445725 /nfs/dbraw/zinc/44/57/25/389445725.db2.gz NEYYTCHXYKNMBJ-ZDUSSCGKSA-N 2 2 289.383 0.665 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccccc3)C2=O)CCCO1 ZINC000333901108 389448501 /nfs/dbraw/zinc/44/85/01/389448501.db2.gz ZGKAVRDXIONCKP-HUUCEWRRSA-N 2 2 289.379 0.842 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCN(c3ccccc3)C2=O)CCCO1 ZINC000333901108 389448503 /nfs/dbraw/zinc/44/85/03/389448503.db2.gz ZGKAVRDXIONCKP-HUUCEWRRSA-N 2 2 289.379 0.842 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CC(C)(C)O)CC1 ZINC000350150162 389492932 /nfs/dbraw/zinc/49/29/32/389492932.db2.gz AZZBDOSYQNOFTA-UHFFFAOYSA-N 2 2 271.405 0.290 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000422855360 389493023 /nfs/dbraw/zinc/49/30/23/389493023.db2.gz CKHCKBPKMMHUBG-OLZOCXBDSA-N 2 2 269.389 0.341 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000422855360 389493025 /nfs/dbraw/zinc/49/30/25/389493025.db2.gz CKHCKBPKMMHUBG-OLZOCXBDSA-N 2 2 269.389 0.341 20 0 CCADLP CS[C@H]1CN(CCn2cc[nH+]c2)C[C@@H]1[NH+](C)C ZINC000272019773 389456916 /nfs/dbraw/zinc/45/69/16/389456916.db2.gz LEVYETIQBDFLQO-RYUDHWBXSA-N 2 2 254.403 0.861 20 0 CCADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000422712547 389457009 /nfs/dbraw/zinc/45/70/09/389457009.db2.gz IMRVIUOVNJQTAC-HUUCEWRRSA-N 3 2 289.427 0.803 20 0 CCADLP CC[C@H](C)[C@H](O)C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422712436 389458013 /nfs/dbraw/zinc/45/80/13/389458013.db2.gz OCRPYOUDPYMLNS-IGHBBLSQSA-N 2 2 256.390 0.750 20 0 CCADLP [NH3+]CCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000422720142 389458906 /nfs/dbraw/zinc/45/89/06/389458906.db2.gz ZUZCZKAMFALQNL-GFCCVEGCSA-N 2 2 255.362 0.095 20 0 CCADLP [NH3+]CCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000422720142 389458909 /nfs/dbraw/zinc/45/89/09/389458909.db2.gz ZUZCZKAMFALQNL-GFCCVEGCSA-N 2 2 255.362 0.095 20 0 CCADLP COC(=O)[C@@H]1CN(Cc2cc(OC)cc[nH+]2)CC[N@H+](C)C1 ZINC000411908765 389459125 /nfs/dbraw/zinc/45/91/25/389459125.db2.gz QQEQHAJBQUELRK-LBPRGKRZSA-N 2 2 293.367 0.627 20 0 CCADLP COC(=O)[C@@H]1CN(Cc2cc(OC)cc[nH+]2)CC[N@@H+](C)C1 ZINC000411908765 389459130 /nfs/dbraw/zinc/45/91/30/389459130.db2.gz QQEQHAJBQUELRK-LBPRGKRZSA-N 2 2 293.367 0.627 20 0 CCADLP CC(C)[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000351200181 389568736 /nfs/dbraw/zinc/56/87/36/389568736.db2.gz INTDADUUJUHSFD-CYBMUJFWSA-N 2 2 269.389 0.117 20 0 CCADLP CC(C)[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CCO1 ZINC000351200181 389568739 /nfs/dbraw/zinc/56/87/39/389568739.db2.gz INTDADUUJUHSFD-CYBMUJFWSA-N 2 2 269.389 0.117 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@](C)(O)C(F)(F)F ZINC000423016112 389522996 /nfs/dbraw/zinc/52/29/96/389522996.db2.gz SINBWYGEOGLOPY-UTLUCORTSA-N 2 2 270.295 0.656 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)[C@@H]1CCC[NH2+]1 ZINC000423024634 389523432 /nfs/dbraw/zinc/52/34/32/389523432.db2.gz JTDGYPKKKPNUBV-YUTCNCBUSA-N 2 2 253.390 0.580 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCF)C2)CC1 ZINC000373874054 389524347 /nfs/dbraw/zinc/52/43/47/389524347.db2.gz ZPLSJGOIFBOMHC-LLVKDONJSA-N 2 2 272.368 0.424 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCF)C2)CC1 ZINC000373874054 389524351 /nfs/dbraw/zinc/52/43/51/389524351.db2.gz ZPLSJGOIFBOMHC-LLVKDONJSA-N 2 2 272.368 0.424 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000276689570 389529646 /nfs/dbraw/zinc/52/96/46/389529646.db2.gz XJKJCWDDXFBBHT-LBPRGKRZSA-N 2 2 250.346 0.943 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC000276689570 389529649 /nfs/dbraw/zinc/52/96/49/389529649.db2.gz XJKJCWDDXFBBHT-LBPRGKRZSA-N 2 2 250.346 0.943 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000276689570 389529654 /nfs/dbraw/zinc/52/96/54/389529654.db2.gz XJKJCWDDXFBBHT-LBPRGKRZSA-N 2 2 250.346 0.943 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC000276689570 389529657 /nfs/dbraw/zinc/52/96/57/389529657.db2.gz XJKJCWDDXFBBHT-LBPRGKRZSA-N 2 2 250.346 0.943 20 0 CCADLP CNC(=O)COc1cccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000423115034 389537858 /nfs/dbraw/zinc/53/78/58/389537858.db2.gz WYQCDWZMEFBGOY-DOMZBBRYSA-N 2 2 291.395 0.899 20 0 CCADLP CCCC[N@H+](C)C[C@H](C)N[C@H]1CC[NH2+][C@H]1C(=O)OCC ZINC000423130437 389539698 /nfs/dbraw/zinc/53/96/98/389539698.db2.gz YIPABDBBCPRJGG-MELADBBJSA-N 2 2 285.432 0.990 20 0 CCADLP CCCC[N@@H+](C)C[C@H](C)N[C@H]1CC[NH2+][C@H]1C(=O)OCC ZINC000423130437 389539701 /nfs/dbraw/zinc/53/97/01/389539701.db2.gz YIPABDBBCPRJGG-MELADBBJSA-N 2 2 285.432 0.990 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000175513777 389542280 /nfs/dbraw/zinc/54/22/80/389542280.db2.gz CHWHONMAYQAOMJ-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000423144185 389543675 /nfs/dbraw/zinc/54/36/75/389543675.db2.gz GGTDZYYJXXWROP-KGLIPLIRSA-N 3 2 257.422 0.940 20 0 CCADLP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000423144185 389543677 /nfs/dbraw/zinc/54/36/77/389543677.db2.gz GGTDZYYJXXWROP-KGLIPLIRSA-N 3 2 257.422 0.940 20 0 CCADLP [NH3+]CC1CCC([NH2+]C[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC000423150085 389544300 /nfs/dbraw/zinc/54/43/00/389544300.db2.gz YSODUWIUMUUVAF-YMAMQOFZSA-N 3 2 269.433 0.940 20 0 CCADLP [NH3+]CC1CCC([NH2+]C[C@H]2CCCC[N@H+]2CCO)CC1 ZINC000423150085 389544307 /nfs/dbraw/zinc/54/43/07/389544307.db2.gz YSODUWIUMUUVAF-YMAMQOFZSA-N 3 2 269.433 0.940 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423158573 389545536 /nfs/dbraw/zinc/54/55/36/389545536.db2.gz OEZYRKVIEDGUQC-UTUOFQBUSA-N 2 2 277.434 0.434 20 0 CCADLP C[C@H]1C[N@@H+](Cc2cnn(C)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374326516 389567242 /nfs/dbraw/zinc/56/72/42/389567242.db2.gz SQCUFOGLVMQJCT-HOCLYGCPSA-N 2 2 291.443 0.878 20 0 CCADLP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000422866225 389496096 /nfs/dbraw/zinc/49/60/96/389496096.db2.gz QDTDBQYYQTWJNE-NWANDNLSSA-N 2 2 295.427 0.873 20 0 CCADLP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000422866225 389496100 /nfs/dbraw/zinc/49/61/00/389496100.db2.gz QDTDBQYYQTWJNE-NWANDNLSSA-N 2 2 295.427 0.873 20 0 CCADLP C(COCC1CC1)[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422889916 389499897 /nfs/dbraw/zinc/49/98/97/389499897.db2.gz QTVKAGDPYQDAEB-ZIAGYGMSSA-N 2 2 254.374 0.770 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@]1(N2CCOCC2)CCSC1 ZINC000422904436 389503301 /nfs/dbraw/zinc/50/33/01/389503301.db2.gz PYDIQGPMCAXGBY-KFWWJZLASA-N 2 2 299.484 0.782 20 0 CCADLP COCC[N@H+](C)CCN[C@H](C)c1c[nH+]ccc1N ZINC000422910126 389504458 /nfs/dbraw/zinc/50/44/58/389504458.db2.gz PVJJUYBGVNHPAX-LLVKDONJSA-N 2 2 252.362 0.723 20 0 CCADLP COCC[N@@H+](C)CCN[C@H](C)c1c[nH+]ccc1N ZINC000422910126 389504461 /nfs/dbraw/zinc/50/44/61/389504461.db2.gz PVJJUYBGVNHPAX-LLVKDONJSA-N 2 2 252.362 0.723 20 0 CCADLP COCCN(C)CC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422910126 389504464 /nfs/dbraw/zinc/50/44/64/389504464.db2.gz PVJJUYBGVNHPAX-LLVKDONJSA-N 2 2 252.362 0.723 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)c2ccc(C[NH3+])o2)CCO1 ZINC000178744463 389618579 /nfs/dbraw/zinc/61/85/79/389618579.db2.gz DBPAVCKQJPDZCI-UHFFFAOYSA-N 2 2 281.356 0.579 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)c2ccc(C[NH3+])o2)CCO1 ZINC000178744463 389618581 /nfs/dbraw/zinc/61/85/81/389618581.db2.gz DBPAVCKQJPDZCI-UHFFFAOYSA-N 2 2 281.356 0.579 20 0 CCADLP Cc1cc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])on1 ZINC000424333709 389622673 /nfs/dbraw/zinc/62/26/73/389622673.db2.gz MMVXBDPYWWSAIV-NXEZZACHSA-N 2 2 252.318 0.781 20 0 CCADLP CN(C(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)C1CC1 ZINC000336124886 389624370 /nfs/dbraw/zinc/62/43/70/389624370.db2.gz FSEIQMPCKWKVOE-AWEZNQCLSA-N 2 2 251.374 0.635 20 0 CCADLP CN(C(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)C1CC1 ZINC000336124886 389624371 /nfs/dbraw/zinc/62/43/71/389624371.db2.gz FSEIQMPCKWKVOE-AWEZNQCLSA-N 2 2 251.374 0.635 20 0 CCADLP CN(C(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)C1CC1 ZINC000336124886 389624375 /nfs/dbraw/zinc/62/43/75/389624375.db2.gz FSEIQMPCKWKVOE-AWEZNQCLSA-N 2 2 251.374 0.635 20 0 CCADLP CN(C(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)C1CC1 ZINC000336124886 389624377 /nfs/dbraw/zinc/62/43/77/389624377.db2.gz FSEIQMPCKWKVOE-AWEZNQCLSA-N 2 2 251.374 0.635 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@H](CO)c1cccc(F)c1)C1CC1 ZINC000351602558 389629876 /nfs/dbraw/zinc/62/98/76/389629876.db2.gz IQTPURLKOBPTBL-HUUCEWRRSA-N 2 2 282.359 0.904 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@H](CO)c1cccc(F)c1)C1CC1 ZINC000351602558 389629879 /nfs/dbraw/zinc/62/98/79/389629879.db2.gz IQTPURLKOBPTBL-HUUCEWRRSA-N 2 2 282.359 0.904 20 0 CCADLP C[NH2+]CC[NH2+]Cc1ccc(N(C)CCOC)nc1 ZINC000414836359 389638811 /nfs/dbraw/zinc/63/88/11/389638811.db2.gz WDBJIPKZHWMGKH-UHFFFAOYSA-N 2 2 252.362 0.473 20 0 CCADLP C(C[C@H]1CCC[NH2+]1)[NH2+][C@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423355251 389572736 /nfs/dbraw/zinc/57/27/36/389572736.db2.gz FBPUIUHKAQUTKA-APIJFGDWSA-N 3 2 267.417 0.875 20 0 CCADLP C[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335547076 389574483 /nfs/dbraw/zinc/57/44/83/389574483.db2.gz CSZDOBGZXKMDFE-NWDGAFQWSA-N 2 2 262.357 0.608 20 0 CCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335547076 389574484 /nfs/dbraw/zinc/57/44/84/389574484.db2.gz CSZDOBGZXKMDFE-NWDGAFQWSA-N 2 2 262.357 0.608 20 0 CCADLP CCCC[N@H+](C)CCNC(=O)[C@H]([NH3+])c1cscn1 ZINC000423372819 389575214 /nfs/dbraw/zinc/57/52/14/389575214.db2.gz HGENRUQQFNMFGF-LLVKDONJSA-N 2 2 270.402 0.991 20 0 CCADLP CCCC[N@@H+](C)CCNC(=O)[C@H]([NH3+])c1cscn1 ZINC000423372819 389575217 /nfs/dbraw/zinc/57/52/17/389575217.db2.gz HGENRUQQFNMFGF-LLVKDONJSA-N 2 2 270.402 0.991 20 0 CCADLP CC(C)[C@H](C(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1)[C@H](C)[NH3+] ZINC000423423364 389583414 /nfs/dbraw/zinc/58/34/14/389583414.db2.gz CCQXAKHILSMGGG-RYUDHWBXSA-N 2 2 298.431 0.014 20 0 CCADLP [NH3+]C1(CNC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CCC1 ZINC000423506926 389596573 /nfs/dbraw/zinc/59/65/73/389596573.db2.gz JBBJNIUVJZVWQA-CYBMUJFWSA-N 2 2 281.400 0.485 20 0 CCADLP [NH3+]C1(CNC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CCC1 ZINC000423506926 389596576 /nfs/dbraw/zinc/59/65/76/389596576.db2.gz JBBJNIUVJZVWQA-CYBMUJFWSA-N 2 2 281.400 0.485 20 0 CCADLP C(C[NH2+]C1CC1)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423524469 389599400 /nfs/dbraw/zinc/59/94/00/389599400.db2.gz JLQWRIKPSHAMOB-ZNMIVQPWSA-N 3 2 267.417 0.875 20 0 CCADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1cccc(CO)c1 ZINC000423522097 389599879 /nfs/dbraw/zinc/59/98/79/389599879.db2.gz RHRLLSQWVJRBEW-IUODEOHRSA-N 2 2 263.385 0.733 20 0 CCADLP C[C@@H](CC[NH+]1CCN(C)CC1)Nc1cc[nH+]c(N(C)C)n1 ZINC000351537855 389608777 /nfs/dbraw/zinc/60/87/77/389608777.db2.gz SYOVOUQEZIZSRC-ZDUSSCGKSA-N 2 2 292.431 0.402 20 0 CCADLP C[C@@H](CCN1CC[NH+](C)CC1)Nc1cc[nH+]c(N(C)C)n1 ZINC000351537855 389608779 /nfs/dbraw/zinc/60/87/79/389608779.db2.gz SYOVOUQEZIZSRC-ZDUSSCGKSA-N 2 2 292.431 0.402 20 0 CCADLP C[C@H](C[NH3+])C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000375835832 389718494 /nfs/dbraw/zinc/71/84/94/389718494.db2.gz ZMFHDEHFGWHTAY-CQSZACIVSA-N 3 2 296.459 0.648 20 0 CCADLP CC(C)Cn1cc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)cn1 ZINC000414971597 389649149 /nfs/dbraw/zinc/64/91/49/389649149.db2.gz WPMNXGMYHJHSGZ-AWEZNQCLSA-N 2 2 265.405 0.532 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000414967107 389649584 /nfs/dbraw/zinc/64/95/84/389649584.db2.gz PNHZCRVKISLSGO-OAHLLOKOSA-N 2 2 289.427 0.675 20 0 CCADLP Cc1ccc(CCC[NH2+]C[C@H]2C[NH2+]CCN2C)c[nH+]1 ZINC000414982621 389650328 /nfs/dbraw/zinc/65/03/28/389650328.db2.gz ZKHNIBOFDXJDTC-HNNXBMFYSA-N 3 2 262.401 0.816 20 0 CCADLP C([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)[C@@H]1C[NH2+]CCO1 ZINC000415090408 389657464 /nfs/dbraw/zinc/65/74/64/389657464.db2.gz AMDBTICOFQFERE-UMSGYPCISA-N 2 2 252.358 0.522 20 0 CCADLP CCCn1nc(C)c(C[NH2+]C[C@H]2C[NH2+]CCO2)c1C ZINC000415095882 389657927 /nfs/dbraw/zinc/65/79/27/389657927.db2.gz ONILFSSMMAHGSK-CYBMUJFWSA-N 2 2 266.389 0.988 20 0 CCADLP Brc1cncc(C[NH2+]C[C@@H]2C[NH2+]CCO2)c1 ZINC000415095862 389658577 /nfs/dbraw/zinc/65/85/77/389658577.db2.gz OKPIUQJKFYBJBG-NSHDSACASA-N 2 2 286.173 0.922 20 0 CCADLP Cc1nc2ccccn2c1C[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415095799 389658878 /nfs/dbraw/zinc/65/88/78/389658878.db2.gz OHECHJJXBXFKGX-GFCCVEGCSA-N 2 2 260.341 0.721 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000415118187 389661364 /nfs/dbraw/zinc/66/13/64/389661364.db2.gz WCACSORFBBUKBR-CHWSQXEVSA-N 2 2 293.415 0.879 20 0 CCADLP CO[C@@H]1CC[C@@H]2OCC[N@H+](C[C@@H](O)C[NH+](C)C3CC3)[C@H]2C1 ZINC000351715262 389665118 /nfs/dbraw/zinc/66/51/18/389665118.db2.gz IHFDKVSVWLZFRL-FZKCQIBNSA-N 2 2 298.427 0.710 20 0 CCADLP CO[C@@H]1CC[C@@H]2OCC[N@@H+](C[C@@H](O)C[NH+](C)C3CC3)[C@H]2C1 ZINC000351715262 389665120 /nfs/dbraw/zinc/66/51/20/389665120.db2.gz IHFDKVSVWLZFRL-FZKCQIBNSA-N 2 2 298.427 0.710 20 0 CCADLP CO[C@@H]1CC[C@@H]2OCC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)[C@H]2C1 ZINC000351715262 389665122 /nfs/dbraw/zinc/66/51/22/389665122.db2.gz IHFDKVSVWLZFRL-FZKCQIBNSA-N 2 2 298.427 0.710 20 0 CCADLP CO[C@@H]1CC[C@@H]2OCC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)[C@H]2C1 ZINC000351715262 389665124 /nfs/dbraw/zinc/66/51/24/389665124.db2.gz IHFDKVSVWLZFRL-FZKCQIBNSA-N 2 2 298.427 0.710 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)no1 ZINC000428355904 389694203 /nfs/dbraw/zinc/69/42/03/389694203.db2.gz RXOVMIXXNSIRSM-JTQLQIEISA-N 2 2 289.339 0.678 20 0 CCADLP Cc1cnn(C)c1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000375626770 389694421 /nfs/dbraw/zinc/69/44/21/389694421.db2.gz YZLMLBCIWGASMK-QWHCGFSZSA-N 2 2 264.373 0.681 20 0 CCADLP Cc1cnn(C)c1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000375626770 389694423 /nfs/dbraw/zinc/69/44/23/389694423.db2.gz YZLMLBCIWGASMK-QWHCGFSZSA-N 2 2 264.373 0.681 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N(C)CC(F)(F)F)C1 ZINC000351848616 389697882 /nfs/dbraw/zinc/69/78/82/389697882.db2.gz DMKAPPKVVQPZBS-RKDXNWHRSA-N 2 2 267.295 0.676 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N(C)CC(F)(F)F)C1 ZINC000351848616 389697886 /nfs/dbraw/zinc/69/78/86/389697886.db2.gz DMKAPPKVVQPZBS-RKDXNWHRSA-N 2 2 267.295 0.676 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CCCn2cc[nH+]c2C)C1 ZINC000378218373 389757786 /nfs/dbraw/zinc/75/77/86/389757786.db2.gz AEHPIEKCQYAWPF-CQSZACIVSA-N 2 2 294.399 0.761 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)CCCn2cc[nH+]c2C)C1 ZINC000378218373 389757788 /nfs/dbraw/zinc/75/77/88/389757788.db2.gz AEHPIEKCQYAWPF-CQSZACIVSA-N 2 2 294.399 0.761 20 0 CCADLP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000352178001 389765842 /nfs/dbraw/zinc/76/58/42/389765842.db2.gz IROIGIGUBANKHA-QWHCGFSZSA-N 2 2 271.405 0.600 20 0 CCADLP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000352178001 389765845 /nfs/dbraw/zinc/76/58/45/389765845.db2.gz IROIGIGUBANKHA-QWHCGFSZSA-N 2 2 271.405 0.600 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](OC)C[C@@H]1C ZINC000388860023 389770716 /nfs/dbraw/zinc/77/07/16/389770716.db2.gz AKGBSGPMAVTCPF-IHRRRGAJSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](OC)C[C@@H]1C ZINC000388860023 389770717 /nfs/dbraw/zinc/77/07/17/389770717.db2.gz AKGBSGPMAVTCPF-IHRRRGAJSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](OC)C[C@@H]1C ZINC000388860023 389770718 /nfs/dbraw/zinc/77/07/18/389770718.db2.gz AKGBSGPMAVTCPF-IHRRRGAJSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](OC)C[C@@H]1C ZINC000388860023 389770719 /nfs/dbraw/zinc/77/07/19/389770719.db2.gz AKGBSGPMAVTCPF-IHRRRGAJSA-N 2 2 274.405 0.425 20 0 CCADLP C[C@H](CCC[NH3+])NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000416830313 389774659 /nfs/dbraw/zinc/77/46/59/389774659.db2.gz RINXIYGEENIBBC-GFCCVEGCSA-N 2 2 286.420 0.524 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCn1cc[nH+]c1 ZINC000416860288 389776768 /nfs/dbraw/zinc/77/67/68/389776768.db2.gz VNXFLVFGKOEWJS-RYUDHWBXSA-N 2 2 265.361 0.794 20 0 CCADLP C[C@@H](O)C[C@@H](C)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000398582205 389783616 /nfs/dbraw/zinc/78/36/16/389783616.db2.gz MNIQJPZQNZQRQT-GHMZBOCLSA-N 2 2 254.378 0.983 20 0 CCADLP CCC[NH2+]CCNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000417010972 389789652 /nfs/dbraw/zinc/78/96/52/389789652.db2.gz QVRRXCPCLBYGFZ-UHFFFAOYSA-N 2 2 279.388 0.946 20 0 CCADLP C[NH2+][C@H]1CCCN(C(=O)N[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000417019431 389790163 /nfs/dbraw/zinc/79/01/63/389790163.db2.gz GERWJEGABIRCSF-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP CCC[C@H]1C[NH2+]CCN1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000417027296 389790941 /nfs/dbraw/zinc/79/09/41/389790941.db2.gz MXTWLEBEPZONJS-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000417067753 389793265 /nfs/dbraw/zinc/79/32/65/389793265.db2.gz DKBVMXHOANSZOE-GFCCVEGCSA-N 2 2 293.415 0.917 20 0 CCADLP C[NH2+][C@@H]1CCN(C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000417081412 389794301 /nfs/dbraw/zinc/79/43/01/389794301.db2.gz QGEFKHCXRQIXOR-GFCCVEGCSA-N 2 2 277.372 0.887 20 0 CCADLP [NH3+][C@H]1CCN(C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000417081966 389794407 /nfs/dbraw/zinc/79/44/07/389794407.db2.gz QLEQGWCAGQHZHP-NSHDSACASA-N 2 2 263.345 0.626 20 0 CCADLP C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000183173669 389726984 /nfs/dbraw/zinc/72/69/84/389726984.db2.gz APCNBDXPZVIOOM-RYUDHWBXSA-N 2 2 250.346 0.859 20 0 CCADLP C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CCCn1cc[nH+]c1 ZINC000183173669 389726985 /nfs/dbraw/zinc/72/69/85/389726985.db2.gz APCNBDXPZVIOOM-RYUDHWBXSA-N 2 2 250.346 0.859 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377197788 389745718 /nfs/dbraw/zinc/74/57/18/389745718.db2.gz NDOMDPZWMKTGFY-ZFWWWQNUSA-N 3 2 296.459 0.645 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377197788 389745720 /nfs/dbraw/zinc/74/57/20/389745720.db2.gz NDOMDPZWMKTGFY-ZFWWWQNUSA-N 3 2 296.459 0.645 20 0 CCADLP CCc1nc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc(C)[nH+]1 ZINC000575073238 335062108 /nfs/dbraw/zinc/06/21/08/335062108.db2.gz WQXDVDCITKMRPS-MNOVXSKESA-N 2 2 275.356 0.096 20 0 CCADLP Cc1cc(NC(=O)C[NH2+][C@](C)(C[NH3+])C(C)C)no1 ZINC000430572675 389808672 /nfs/dbraw/zinc/80/86/72/389808672.db2.gz GBJPOLAUKQPNBJ-GFCCVEGCSA-N 2 2 254.334 0.306 20 0 CCADLP CN(C(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1)c1nccs1 ZINC000430574541 389809179 /nfs/dbraw/zinc/80/91/79/389809179.db2.gz OFOAEXLYNDALKK-LBPRGKRZSA-N 2 2 268.386 0.823 20 0 CCADLP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000430645301 389815800 /nfs/dbraw/zinc/81/58/00/389815800.db2.gz CHZKVHVIOSGZAQ-NSHDSACASA-N 2 2 276.340 0.147 20 0 CCADLP NC(=O)c1ccc(NC(=O)CC[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000430645301 389815804 /nfs/dbraw/zinc/81/58/04/389815804.db2.gz CHZKVHVIOSGZAQ-NSHDSACASA-N 2 2 276.340 0.147 20 0 CCADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000430640583 389815814 /nfs/dbraw/zinc/81/58/14/389815814.db2.gz RMSBUKYQOULNPG-MRVPVSSYSA-N 2 2 296.293 0.045 20 0 CCADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000430640583 389815817 /nfs/dbraw/zinc/81/58/17/389815817.db2.gz RMSBUKYQOULNPG-MRVPVSSYSA-N 2 2 296.293 0.045 20 0 CCADLP CSCC[C@@H]([NH2+]C1CC[NH+](C)CC1)C(=O)N(C)C ZINC000352475345 389817001 /nfs/dbraw/zinc/81/70/01/389817001.db2.gz CJOFXSYQUOBLNI-GFCCVEGCSA-N 2 2 273.446 0.880 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000417513360 389823956 /nfs/dbraw/zinc/82/39/56/389823956.db2.gz XSLIEOVCPJDXLU-QWHCGFSZSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000417513360 389823958 /nfs/dbraw/zinc/82/39/58/389823958.db2.gz XSLIEOVCPJDXLU-QWHCGFSZSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N[C@H]1CC[NH2+]C[C@H]1C)[NH+]1CCOCC1 ZINC000417515862 389824429 /nfs/dbraw/zinc/82/44/29/389824429.db2.gz FDUITYUUWCJNON-RQJABVFESA-N 2 2 298.431 0.393 20 0 CCADLP C[C@H]([C@H](C)NC(=O)NCC[C@H](C)[NH3+])[NH+]1CCOCC1 ZINC000417516424 389825323 /nfs/dbraw/zinc/82/53/23/389825323.db2.gz GVCYUKKIAJBDKE-SDDRHHMPSA-N 2 2 272.393 0.132 20 0 CCADLP COc1ccccc1[C@@H]([NH3+])C(=O)NCC[NH+]1CCCC1 ZINC000430821491 389827151 /nfs/dbraw/zinc/82/71/51/389827151.db2.gz LYMWIZQOYJVGMT-CQSZACIVSA-N 2 2 277.368 0.907 20 0 CCADLP C[NH2+]CC(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000430867041 389829908 /nfs/dbraw/zinc/82/99/08/389829908.db2.gz IOBPLGYDASDSDE-JTQLQIEISA-N 2 2 264.373 0.831 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430894809 389832306 /nfs/dbraw/zinc/83/23/06/389832306.db2.gz PHNSSZDMBGXECU-FFHGMXDLSA-N 2 2 295.427 0.744 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430894809 389832307 /nfs/dbraw/zinc/83/23/07/389832307.db2.gz PHNSSZDMBGXECU-FFHGMXDLSA-N 2 2 295.427 0.744 20 0 CCADLP COCC[NH2+]CC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000430898982 389833336 /nfs/dbraw/zinc/83/33/36/389833336.db2.gz YJSRTUDGVNNTGG-UHFFFAOYSA-N 2 2 294.277 0.298 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C[C@H](O)C[NH+]1CCOCC1 ZINC000352814110 389837770 /nfs/dbraw/zinc/83/77/70/389837770.db2.gz DPFIWVWOUJLMRE-BZUAXINKSA-N 2 2 297.443 0.238 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](CCCS(=O)(=O)C(C)C)C1 ZINC000430954726 389840075 /nfs/dbraw/zinc/84/00/75/389840075.db2.gz KHSCYCUADNMEHA-LBPRGKRZSA-N 2 2 262.419 0.741 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](CCCS(=O)(=O)C(C)C)C1 ZINC000430954726 389840079 /nfs/dbraw/zinc/84/00/79/389840079.db2.gz KHSCYCUADNMEHA-LBPRGKRZSA-N 2 2 262.419 0.741 20 0 CCADLP COc1cc(NC(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)cc(OC)c1 ZINC000430955459 389840145 /nfs/dbraw/zinc/84/01/45/389840145.db2.gz AINWPZOFEXCCHT-NSHDSACASA-N 2 2 293.367 0.923 20 0 CCADLP COc1cc(NC(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)cc(OC)c1 ZINC000430955459 389840148 /nfs/dbraw/zinc/84/01/48/389840148.db2.gz AINWPZOFEXCCHT-NSHDSACASA-N 2 2 293.367 0.923 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000430966966 389841450 /nfs/dbraw/zinc/84/14/50/389841450.db2.gz QODSHBKMXDKTDM-ZDUSSCGKSA-N 3 2 282.432 0.256 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000430966966 389841453 /nfs/dbraw/zinc/84/14/53/389841453.db2.gz QODSHBKMXDKTDM-ZDUSSCGKSA-N 3 2 282.432 0.256 20 0 CCADLP Cn1cc(C[NH+]2CCN(C(=O)[C@@H]3CCCC[NH2+]3)CC2)cn1 ZINC000431011488 389844041 /nfs/dbraw/zinc/84/40/41/389844041.db2.gz UZJHEWUDYKANOK-AWEZNQCLSA-N 2 2 291.399 0.206 20 0 CCADLP O=C(C[C@@H]1CCC[NH2+]1)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000431007443 389844338 /nfs/dbraw/zinc/84/43/38/389844338.db2.gz VAASQUURWVBKPH-LBPRGKRZSA-N 2 2 277.372 0.196 20 0 CCADLP Cn1cc(C[NH+]2CCN(C(=O)[C@@H]3CC[C@H]([NH3+])C3)CC2)cn1 ZINC000431013576 389845140 /nfs/dbraw/zinc/84/51/40/389845140.db2.gz YTXMCKWMWFCRSG-KGLIPLIRSA-N 2 2 291.399 0.192 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]([NH3+])c2c(F)cccc2F)C[C@H]1[NH3+] ZINC000417833151 389854545 /nfs/dbraw/zinc/85/45/45/389854545.db2.gz LQXNSNYUQVOXQH-NYRNMGCKSA-N 2 2 269.295 0.770 20 0 CCADLP CCS(=O)(=O)NCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442757870 389861825 /nfs/dbraw/zinc/86/18/25/389861825.db2.gz NHVDHAIXJUBORW-FOSCPWQOSA-N 2 2 275.418 0.141 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442757870 389861826 /nfs/dbraw/zinc/86/18/26/389861826.db2.gz NHVDHAIXJUBORW-FOSCPWQOSA-N 2 2 275.418 0.141 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)N[C@@H](C)C[NH3+])cn21 ZINC000418000450 389863969 /nfs/dbraw/zinc/86/39/69/389863969.db2.gz XERSHDAWRFGXQE-VIFPVBQESA-N 2 2 261.329 0.789 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000418596070 389880566 /nfs/dbraw/zinc/88/05/66/389880566.db2.gz BMLGRCSFZQDKPA-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP Cc1nc2[nH]ccc2c(NC[C@@](C)(O)C[NH+](C)C)[nH+]1 ZINC000443702142 389883341 /nfs/dbraw/zinc/88/33/41/389883341.db2.gz AMFSMRLVBLYOSP-CYBMUJFWSA-N 2 2 263.345 0.413 20 0 CCADLP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000444179597 389895574 /nfs/dbraw/zinc/89/55/74/389895574.db2.gz ZQGBOVOQSWMGSP-DZKIICNBSA-N 2 2 293.411 0.309 20 0 CCADLP CC(C)[C@@H](C[NH3+])C(=O)NCc1ccc[nH+]c1N(C)C ZINC000433158545 389902484 /nfs/dbraw/zinc/90/24/84/389902484.db2.gz JYCZODOSCVTQEL-GFCCVEGCSA-N 2 2 264.373 0.995 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000447438783 389955354 /nfs/dbraw/zinc/95/53/54/389955354.db2.gz HWZAILZLOLFSQX-WDEREUQCSA-N 2 2 266.345 0.480 20 0 CCADLP C[C@@H]1C[NH2+]CCN1c1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000420218049 389967244 /nfs/dbraw/zinc/96/72/44/389967244.db2.gz LHMCVWSAGMSTAW-VXGBXAGGSA-N 2 2 277.372 0.236 20 0 CCADLP C[NH2+]CCN(C)c1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000420224216 389968182 /nfs/dbraw/zinc/96/81/82/389968182.db2.gz FONFCZVYBKONPP-UHFFFAOYSA-N 2 2 252.366 0.717 20 0 CCADLP Cc1cnc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])o1 ZINC000436059881 389969860 /nfs/dbraw/zinc/96/98/60/389969860.db2.gz CHAHRVGANRJGOD-LBPRGKRZSA-N 2 2 280.372 0.803 20 0 CCADLP Cc1cnc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])o1 ZINC000436059881 389969861 /nfs/dbraw/zinc/96/98/61/389969861.db2.gz CHAHRVGANRJGOD-LBPRGKRZSA-N 2 2 280.372 0.803 20 0 CCADLP CCC[C@]1(CO)CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000444780607 389918202 /nfs/dbraw/zinc/91/82/02/389918202.db2.gz GEHBQTMLVJJSTO-OAHLLOKOSA-N 2 2 283.416 0.387 20 0 CCADLP CCC[C@]1(CO)CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000444780607 389918204 /nfs/dbraw/zinc/91/82/04/389918204.db2.gz GEHBQTMLVJJSTO-OAHLLOKOSA-N 2 2 283.416 0.387 20 0 CCADLP Cc1nc2[nH]ccc2c(NC[C@H]2C[N@@H+](C3CC3)CCO2)[nH+]1 ZINC000433782961 389919023 /nfs/dbraw/zinc/91/90/23/389919023.db2.gz MOOZNIWMMXXHKH-LBPRGKRZSA-N 2 2 287.367 0.963 20 0 CCADLP Cc1nc2[nH]ccc2c(NC[C@H]2C[N@H+](C3CC3)CCO2)[nH+]1 ZINC000433782961 389919026 /nfs/dbraw/zinc/91/90/26/389919026.db2.gz MOOZNIWMMXXHKH-LBPRGKRZSA-N 2 2 287.367 0.963 20 0 CCADLP COc1ccc2[nH+]c(C)nc(NC[C@@H]3C[NH2+]C[C@@H]3O)c2c1 ZINC000420248569 389972943 /nfs/dbraw/zinc/97/29/43/389972943.db2.gz WRNCCUJBUKBRFA-HZMBPMFUSA-N 2 2 288.351 0.361 20 0 CCADLP COc1ccc2[nH+]c(C)nc(NC[C@H]3C[NH2+]C[C@H]3O)c2c1 ZINC000420248573 389973027 /nfs/dbraw/zinc/97/30/27/389973027.db2.gz WRNCCUJBUKBRFA-QMTHXVAHSA-N 2 2 288.351 0.361 20 0 CCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)[C@H]1C[C@H](F)C[NH2+]1 ZINC000446281130 389933127 /nfs/dbraw/zinc/93/31/27/389933127.db2.gz LEQNHRDWONMNHI-CMPLNLGQSA-N 2 2 280.347 0.578 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436302364 389974057 /nfs/dbraw/zinc/97/40/57/389974057.db2.gz UCDORPSXGSZVEJ-UMVBOHGHSA-N 2 2 281.400 0.213 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436302364 389974058 /nfs/dbraw/zinc/97/40/58/389974058.db2.gz UCDORPSXGSZVEJ-UMVBOHGHSA-N 2 2 281.400 0.213 20 0 CCADLP O=C(C[C@H]1CSCC[NH2+]1)NCc1cn2c([nH+]1)CCCC2 ZINC000434864255 389948089 /nfs/dbraw/zinc/94/80/89/389948089.db2.gz HBMIXBBYZZJHBZ-NSHDSACASA-N 2 2 294.424 0.931 20 0 CCADLP CNC(=O)C[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420908587 390037119 /nfs/dbraw/zinc/03/71/19/390037119.db2.gz XFVHHDYAKMXTGR-UHFFFAOYSA-N 2 2 291.395 0.697 20 0 CCADLP CNC(=O)C[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420908587 390037120 /nfs/dbraw/zinc/03/71/20/390037120.db2.gz XFVHHDYAKMXTGR-UHFFFAOYSA-N 2 2 291.395 0.697 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@]2(O)CCSC2)n1C ZINC000436480988 389977353 /nfs/dbraw/zinc/97/73/53/389977353.db2.gz LLNHMTKMRFOBML-LBPRGKRZSA-N 2 2 270.402 0.444 20 0 CCADLP CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000420291301 389979132 /nfs/dbraw/zinc/97/91/32/389979132.db2.gz NDORKSSLUMLQMC-NEPJUHHUSA-N 2 2 277.434 0.375 20 0 CCADLP CCS(=O)(=O)NCCC[N@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000420291301 389979135 /nfs/dbraw/zinc/97/91/35/389979135.db2.gz NDORKSSLUMLQMC-NEPJUHHUSA-N 2 2 277.434 0.375 20 0 CCADLP CC[C@@H](C)[C@@H](NC(=O)C[NH2+]CC1([NH3+])CCC1)C(=O)OC ZINC000420311684 389982180 /nfs/dbraw/zinc/98/21/80/389982180.db2.gz RELVTTUYLRCDAZ-ZYHUDNBSSA-N 2 2 285.388 0.161 20 0 CCADLP CC(C)(C)c1nc(CN2CC[NH+](CCC[NH3+])CC2)no1 ZINC000420315593 389982946 /nfs/dbraw/zinc/98/29/46/389982946.db2.gz KZHJRWTVHBODLR-UHFFFAOYSA-N 2 2 281.404 0.834 20 0 CCADLP C[N@H+]([C@H]1CCN(CC(F)(F)F)C1=O)C1(C[NH3+])CCC1 ZINC000420324677 389983428 /nfs/dbraw/zinc/98/34/28/389983428.db2.gz HMJFIDJNNKJTMN-VIFPVBQESA-N 2 2 279.306 0.963 20 0 CCADLP C[N@@H+]([C@H]1CCN(CC(F)(F)F)C1=O)C1(C[NH3+])CCC1 ZINC000420324677 389983429 /nfs/dbraw/zinc/98/34/29/389983429.db2.gz HMJFIDJNNKJTMN-VIFPVBQESA-N 2 2 279.306 0.963 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000420344746 389986751 /nfs/dbraw/zinc/98/67/51/389986751.db2.gz UPHSXPHXCCYKQK-QAETUUGQSA-N 3 2 289.423 0.601 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000420344746 389986752 /nfs/dbraw/zinc/98/67/52/389986752.db2.gz UPHSXPHXCCYKQK-QAETUUGQSA-N 3 2 289.423 0.601 20 0 CCADLP Cc1ccc2[nH+]c(CN(C)[C@H]3C[NH2+]C[C@@H]3O)cn2c1 ZINC000420349399 389987631 /nfs/dbraw/zinc/98/76/31/389987631.db2.gz OSMMMHCBYMJOAV-STQMWFEESA-N 2 2 260.341 0.407 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH3+])[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000420351049 389989342 /nfs/dbraw/zinc/98/93/42/389989342.db2.gz IXHBUAUCCVSWAQ-KBPBESRZSA-N 2 2 295.358 0.573 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH3+])[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000420351049 389989345 /nfs/dbraw/zinc/98/93/45/389989345.db2.gz IXHBUAUCCVSWAQ-KBPBESRZSA-N 2 2 295.358 0.573 20 0 CCADLP C[C@@H](C(=O)NCc1ccccc1F)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420361803 389992126 /nfs/dbraw/zinc/99/21/26/389992126.db2.gz YQDIVOBRLWAVLZ-CMPLNLGQSA-N 2 2 283.347 0.082 20 0 CCADLP C[C@@H](C(=O)NCc1ccccc1F)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420361803 389992129 /nfs/dbraw/zinc/99/21/29/389992129.db2.gz YQDIVOBRLWAVLZ-CMPLNLGQSA-N 2 2 283.347 0.082 20 0 CCADLP CCCCOCCNC(=O)C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420368586 389993332 /nfs/dbraw/zinc/99/33/32/389993332.db2.gz NRHDULOUIOAXPM-VNHYZAJKSA-N 2 2 285.432 0.895 20 0 CCADLP COCCCNC(=O)C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420376982 389994512 /nfs/dbraw/zinc/99/45/12/389994512.db2.gz VUWWSLGPNSZHCA-GMXVVIOVSA-N 2 2 257.378 0.115 20 0 CCADLP C[NH2+]CCC[N@H+](C)CC(=O)NC(C1CC1)C1CC1 ZINC000420384670 389995365 /nfs/dbraw/zinc/99/53/65/389995365.db2.gz FCMQPUAXQKXHPM-UHFFFAOYSA-N 2 2 253.390 0.833 20 0 CCADLP C[NH2+]CCC[N@@H+](C)CC(=O)NC(C1CC1)C1CC1 ZINC000420384670 389995366 /nfs/dbraw/zinc/99/53/66/389995366.db2.gz FCMQPUAXQKXHPM-UHFFFAOYSA-N 2 2 253.390 0.833 20 0 CCADLP C[NH2+]CCC[N@H+](C)[C@@H](C)C(=O)NC(=O)NCC(C)C ZINC000420390307 389996260 /nfs/dbraw/zinc/99/62/60/389996260.db2.gz QBSXFZIXRGRPEC-NSHDSACASA-N 2 2 272.393 0.398 20 0 CCADLP C[NH2+]CCC[N@@H+](C)[C@@H](C)C(=O)NC(=O)NCC(C)C ZINC000420390307 389996261 /nfs/dbraw/zinc/99/62/61/389996261.db2.gz QBSXFZIXRGRPEC-NSHDSACASA-N 2 2 272.393 0.398 20 0 CCADLP COc1ccc(C[N@H+](C)C2CC[NH+](CCO)CC2)cn1 ZINC000438110262 390000977 /nfs/dbraw/zinc/00/09/77/390000977.db2.gz OIWXCWZNVGXXLC-UHFFFAOYSA-N 2 2 279.384 0.979 20 0 CCADLP COc1ccc(C[N@@H+](C)C2CC[NH+](CCO)CC2)cn1 ZINC000438110262 390000979 /nfs/dbraw/zinc/00/09/79/390000979.db2.gz OIWXCWZNVGXXLC-UHFFFAOYSA-N 2 2 279.384 0.979 20 0 CCADLP CN(C)C(=O)N[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000452004875 390005458 /nfs/dbraw/zinc/00/54/58/390005458.db2.gz BVYAGUXPXAQULJ-GXTWGEPZSA-N 2 2 298.431 0.177 20 0 CCADLP CN(C)C(=O)N[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000452004875 390005460 /nfs/dbraw/zinc/00/54/60/390005460.db2.gz BVYAGUXPXAQULJ-GXTWGEPZSA-N 2 2 298.431 0.177 20 0 CCADLP CN(C)C(=O)N[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000452004875 390005461 /nfs/dbraw/zinc/00/54/61/390005461.db2.gz BVYAGUXPXAQULJ-GXTWGEPZSA-N 2 2 298.431 0.177 20 0 CCADLP CN(C)C(=O)N[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000452004875 390005463 /nfs/dbraw/zinc/00/54/63/390005463.db2.gz BVYAGUXPXAQULJ-GXTWGEPZSA-N 2 2 298.431 0.177 20 0 CCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000439972230 390029231 /nfs/dbraw/zinc/02/92/31/390029231.db2.gz MXTCUEQDMKYPJL-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000487507345 390087869 /nfs/dbraw/zinc/08/78/69/390087869.db2.gz WMFWOVNBBDWWDO-MGPQQGTHSA-N 2 2 283.416 0.363 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000487507345 390087870 /nfs/dbraw/zinc/08/78/70/390087870.db2.gz WMFWOVNBBDWWDO-MGPQQGTHSA-N 2 2 283.416 0.363 20 0 CCADLP COCCC[N@H+](C)CCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000488443961 390094064 /nfs/dbraw/zinc/09/40/64/390094064.db2.gz VHFHRJWOTBVHPV-UHFFFAOYSA-N 2 2 282.392 0.048 20 0 CCADLP COCCC[N@@H+](C)CCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000488443961 390094065 /nfs/dbraw/zinc/09/40/65/390094065.db2.gz VHFHRJWOTBVHPV-UHFFFAOYSA-N 2 2 282.392 0.048 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000490790575 390107865 /nfs/dbraw/zinc/10/78/65/390107865.db2.gz CLUQTIDOVDRGOT-GFCCVEGCSA-N 2 2 288.355 0.784 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCc1cn(C)c[nH+]1 ZINC000457863737 390050848 /nfs/dbraw/zinc/05/08/48/390050848.db2.gz SOGSXAJJQIGSPS-TXEJJXNPSA-N 2 2 264.373 0.952 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCc1cn(C)c[nH+]1 ZINC000457863737 390050849 /nfs/dbraw/zinc/05/08/49/390050849.db2.gz SOGSXAJJQIGSPS-TXEJJXNPSA-N 2 2 264.373 0.952 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1Nc1ncnc2c1C[N@H+](C)CC2 ZINC000579573734 390185558 /nfs/dbraw/zinc/18/55/58/390185558.db2.gz SVBLIYIUNGGQIW-GWCFXTLKSA-N 2 2 261.373 0.874 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1Nc1ncnc2c1C[N@@H+](C)CC2 ZINC000579573734 390185561 /nfs/dbraw/zinc/18/55/61/390185561.db2.gz SVBLIYIUNGGQIW-GWCFXTLKSA-N 2 2 261.373 0.874 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cncc(F)c1 ZINC000494618422 390186767 /nfs/dbraw/zinc/18/67/67/390186767.db2.gz DNCZWILXQCGOIH-CYBMUJFWSA-N 2 2 280.347 0.650 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cncc(F)c1 ZINC000494618422 390186770 /nfs/dbraw/zinc/18/67/70/390186770.db2.gz DNCZWILXQCGOIH-CYBMUJFWSA-N 2 2 280.347 0.650 20 0 CCADLP C[N@H+]1CCN(C(=O)/C=C\c2cccnc2)[C@@H](C[NH3+])C1 ZINC000493554832 390127326 /nfs/dbraw/zinc/12/73/26/390127326.db2.gz QYFNYNQGHITRRY-ZFDPJTLLSA-N 2 2 260.341 0.196 20 0 CCADLP Cn1cc[nH+]c1CN1CC[NH+](Cc2ncccc2O)CC1 ZINC000579057561 390137798 /nfs/dbraw/zinc/13/77/98/390137798.db2.gz UIDCYDYLFZUFAP-UHFFFAOYSA-N 2 2 287.367 0.839 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC2(C3CC3)CCC2)[C@@H](C[NH3+])C1 ZINC000579333193 390162434 /nfs/dbraw/zinc/16/24/34/390162434.db2.gz ZBWGWBCMXBAAJQ-ZDUSSCGKSA-N 2 2 280.416 0.851 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC2(C3CC3)CCC2)[C@@H](C[NH3+])C1 ZINC000579333193 390162435 /nfs/dbraw/zinc/16/24/35/390162435.db2.gz ZBWGWBCMXBAAJQ-ZDUSSCGKSA-N 2 2 280.416 0.851 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2CCCC[C@H]2O)C[C@@H](C)O1 ZINC000579712816 390201361 /nfs/dbraw/zinc/20/13/61/390201361.db2.gz WVBWIEMTGFIFOZ-KJWHEZOQSA-N 2 2 286.416 0.350 20 0 CCADLP Cn1cc([C@H](CO)[NH2+]CC[C@@H]2CCCC[N@@H+]2C)cn1 ZINC000494809908 390202036 /nfs/dbraw/zinc/20/20/36/390202036.db2.gz PYQPRMUJEATUKW-KBPBESRZSA-N 2 2 266.389 0.918 20 0 CCADLP Cn1cc([C@H](CO)[NH2+]CC[C@@H]2CCCC[N@H+]2C)cn1 ZINC000494809908 390202038 /nfs/dbraw/zinc/20/20/38/390202038.db2.gz PYQPRMUJEATUKW-KBPBESRZSA-N 2 2 266.389 0.918 20 0 CCADLP Cc1nc([C@H]2CCCC[N@@H+]2CCOCC[NH3+])no1 ZINC000647882134 390206526 /nfs/dbraw/zinc/20/65/26/390206526.db2.gz NLNFUONYPFFPNJ-LLVKDONJSA-N 2 2 254.334 0.880 20 0 CCADLP Cc1nc([C@H]2CCCC[N@H+]2CCOCC[NH3+])no1 ZINC000647882134 390206528 /nfs/dbraw/zinc/20/65/28/390206528.db2.gz NLNFUONYPFFPNJ-LLVKDONJSA-N 2 2 254.334 0.880 20 0 CCADLP CCC[N@@H+](CC(=O)NC)C[C@H](O)C[NH+](C)C(C)C ZINC000647960288 390228600 /nfs/dbraw/zinc/22/86/00/390228600.db2.gz OXNFHTLDVJNOEK-GFCCVEGCSA-N 2 2 259.394 0.146 20 0 CCADLP CCC[N@H+](CC(=O)NC)C[C@H](O)C[NH+](C)C(C)C ZINC000647960288 390228603 /nfs/dbraw/zinc/22/86/03/390228603.db2.gz OXNFHTLDVJNOEK-GFCCVEGCSA-N 2 2 259.394 0.146 20 0 CCADLP CCC[NH+](CC(=O)NC)C[C@H](O)C[N@H+](C)C(C)C ZINC000647960288 390228605 /nfs/dbraw/zinc/22/86/05/390228605.db2.gz OXNFHTLDVJNOEK-GFCCVEGCSA-N 2 2 259.394 0.146 20 0 CCADLP CCC[NH+](CC(=O)NC)C[C@H](O)C[N@@H+](C)C(C)C ZINC000647960288 390228607 /nfs/dbraw/zinc/22/86/07/390228607.db2.gz OXNFHTLDVJNOEK-GFCCVEGCSA-N 2 2 259.394 0.146 20 0 CCADLP COC[C@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000647931264 390220003 /nfs/dbraw/zinc/22/00/03/390220003.db2.gz WMJSSVFDXNTOOH-UONOGXRCSA-N 2 2 272.389 0.180 20 0 CCADLP COC[C@H](O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000647931264 390220005 /nfs/dbraw/zinc/22/00/05/390220005.db2.gz WMJSSVFDXNTOOH-UONOGXRCSA-N 2 2 272.389 0.180 20 0 CCADLP CC[C@H]1C[N@H+](CCCCS(C)(=O)=O)CC[C@H]1[NH3+] ZINC000647936621 390223002 /nfs/dbraw/zinc/22/30/02/390223002.db2.gz IMMRIMQVHSCJEQ-NWDGAFQWSA-N 2 2 262.419 0.870 20 0 CCADLP CC[C@H]1C[N@@H+](CCCCS(C)(=O)=O)CC[C@H]1[NH3+] ZINC000647936621 390223004 /nfs/dbraw/zinc/22/30/04/390223004.db2.gz IMMRIMQVHSCJEQ-NWDGAFQWSA-N 2 2 262.419 0.870 20 0 CCADLP [NH3+]CCC[N@H+](CC(=O)Nc1ccon1)Cc1ccccc1 ZINC000647944130 390223839 /nfs/dbraw/zinc/22/38/39/390223839.db2.gz PRZTWDMKFNBZEU-UHFFFAOYSA-N 2 2 288.351 0.886 20 0 CCADLP [NH3+]CCC[N@@H+](CC(=O)Nc1ccon1)Cc1ccccc1 ZINC000647944130 390223842 /nfs/dbraw/zinc/22/38/42/390223842.db2.gz PRZTWDMKFNBZEU-UHFFFAOYSA-N 2 2 288.351 0.886 20 0 CCADLP c1c[nH+]c(CNc2cnn(CC[NH+]3CCOCC3)c2)[nH]1 ZINC000538490205 390192270 /nfs/dbraw/zinc/19/22/70/390192270.db2.gz QXCZDXAOLFEZEI-UHFFFAOYSA-N 2 2 276.344 0.551 20 0 CCADLP c1cncc(C[NH+]2CCN(C[C@H]3CC[NH2+]C3)CC2)c1 ZINC000647988035 390239733 /nfs/dbraw/zinc/23/97/33/390239733.db2.gz HUAYHQUNIBQRHZ-HNNXBMFYSA-N 2 2 260.385 0.809 20 0 CCADLP c1cncc(CN2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)c1 ZINC000647988035 390239736 /nfs/dbraw/zinc/23/97/36/390239736.db2.gz HUAYHQUNIBQRHZ-HNNXBMFYSA-N 2 2 260.385 0.809 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000581135198 390250419 /nfs/dbraw/zinc/25/04/19/390250419.db2.gz FJFLXAMRUKNTEK-OAHLLOKOSA-N 2 2 281.375 0.918 20 0 CCADLP CCOC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1CCOC ZINC000644546551 390250508 /nfs/dbraw/zinc/25/05/08/390250508.db2.gz MXPZLJNQEKKCNQ-STQMWFEESA-N 2 2 260.378 0.084 20 0 CCADLP CCOC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1CCOC ZINC000644546551 390250509 /nfs/dbraw/zinc/25/05/09/390250509.db2.gz MXPZLJNQEKKCNQ-STQMWFEESA-N 2 2 260.378 0.084 20 0 CCADLP OCCC[N@@H+]1CCC[C@@H]([NH2+]C[C@H]2CNc3ccnn3C2)C1 ZINC000648039636 390260368 /nfs/dbraw/zinc/26/03/68/390260368.db2.gz OYHQDXIPLYHXHE-UONOGXRCSA-N 2 2 293.415 0.361 20 0 CCADLP OCCC[N@H+]1CCC[C@@H]([NH2+]C[C@H]2CNc3ccnn3C2)C1 ZINC000648039636 390260371 /nfs/dbraw/zinc/26/03/71/390260371.db2.gz OYHQDXIPLYHXHE-UONOGXRCSA-N 2 2 293.415 0.361 20 0 CCADLP C[NH+](C)CC(C)(C)[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000648042145 390261507 /nfs/dbraw/zinc/26/15/07/390261507.db2.gz QWYDRYNWOWZXFK-NSHDSACASA-N 2 2 251.378 0.855 20 0 CCADLP Cn1cc[nH+]c1[C@@H](NC(=O)[C@H]1CCC[NH2+]1)C1CCOCC1 ZINC000648166679 390322827 /nfs/dbraw/zinc/32/28/27/390322827.db2.gz IWGHAJXNYQNIFF-OLZOCXBDSA-N 2 2 292.383 0.756 20 0 CCADLP CN(C)c1[nH+]cc(C[NH+]2CC([C@H]3CCOC3)C2)n1C ZINC000644903419 390341835 /nfs/dbraw/zinc/34/18/35/390341835.db2.gz JKPONZFRXIPTIT-NSHDSACASA-N 2 2 264.373 0.954 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H]2CCCC(=O)N2)n1C ZINC000644903469 390342511 /nfs/dbraw/zinc/34/25/11/390342511.db2.gz VRFJUFLYAXBPLC-SNVBAGLBSA-N 2 2 265.361 0.244 20 0 CCADLP CO[C@@H](C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)C1CC1 ZINC000644927960 390346976 /nfs/dbraw/zinc/34/69/76/390346976.db2.gz UEVKFLFWELUEJP-CABCVRRESA-N 2 2 295.427 0.826 20 0 CCADLP CO[C@@H](C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1)C1CC1 ZINC000644927960 390346979 /nfs/dbraw/zinc/34/69/79/390346979.db2.gz UEVKFLFWELUEJP-CABCVRRESA-N 2 2 295.427 0.826 20 0 CCADLP CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]CCn1cc[nH+]c1 ZINC000496360295 390347737 /nfs/dbraw/zinc/34/77/37/390347737.db2.gz BIQPHCYFURPXRK-AWEZNQCLSA-N 2 2 298.387 0.748 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cnn3ccccc23)C1 ZINC000546567037 390351214 /nfs/dbraw/zinc/35/12/14/390351214.db2.gz VCYOVXFBXYXULF-AWEZNQCLSA-N 2 2 260.341 0.491 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cnn3ccccc23)C1 ZINC000546567037 390351217 /nfs/dbraw/zinc/35/12/17/390351217.db2.gz VCYOVXFBXYXULF-AWEZNQCLSA-N 2 2 260.341 0.491 20 0 CCADLP Cn1c[nH+]cc1C[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000547828745 390403187 /nfs/dbraw/zinc/40/31/87/390403187.db2.gz XZXIJMIABATMRK-UHFFFAOYSA-N 2 2 287.367 0.942 20 0 CCADLP CCOC(=O)N[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000497253111 390444959 /nfs/dbraw/zinc/44/49/59/390444959.db2.gz PCNSOARTLSXVIY-STQMWFEESA-N 2 2 287.404 0.510 20 0 CCADLP CCOC(=O)N[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000497253111 390444964 /nfs/dbraw/zinc/44/49/64/390444964.db2.gz PCNSOARTLSXVIY-STQMWFEESA-N 2 2 287.404 0.510 20 0 CCADLP CCOC(=O)N[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)CC)C1 ZINC000497253111 390444967 /nfs/dbraw/zinc/44/49/67/390444967.db2.gz PCNSOARTLSXVIY-STQMWFEESA-N 2 2 287.404 0.510 20 0 CCADLP CCOC(=O)N[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000497253111 390444970 /nfs/dbraw/zinc/44/49/70/390444970.db2.gz PCNSOARTLSXVIY-STQMWFEESA-N 2 2 287.404 0.510 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCC12CCOCC2 ZINC000554561055 390433170 /nfs/dbraw/zinc/43/31/70/390433170.db2.gz OERBVYNVSLXLMS-KGLIPLIRSA-N 2 2 295.427 0.875 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCC12CCOCC2 ZINC000554561055 390433174 /nfs/dbraw/zinc/43/31/74/390433174.db2.gz OERBVYNVSLXLMS-KGLIPLIRSA-N 2 2 295.427 0.875 20 0 CCADLP CN1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1=O ZINC000527961516 285375106 /nfs/dbraw/zinc/37/51/06/285375106.db2.gz ITZSTTYMJUCBMM-CYBMUJFWSA-N 2 2 251.374 0.824 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000547539670 390382258 /nfs/dbraw/zinc/38/22/58/390382258.db2.gz JSMLZLWQNFWUQJ-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP CCc1nn(C)cc1C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000648644902 390385933 /nfs/dbraw/zinc/38/59/33/390385933.db2.gz RMEGCZDACITJNF-CQSZACIVSA-N 2 2 280.416 0.919 20 0 CCADLP CCc1nn(C)cc1C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000648644902 390385938 /nfs/dbraw/zinc/38/59/38/390385938.db2.gz RMEGCZDACITJNF-CQSZACIVSA-N 2 2 280.416 0.919 20 0 CCADLP COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000645220752 390390119 /nfs/dbraw/zinc/39/01/19/390390119.db2.gz ZOSYZDJHDXSBJL-CYBMUJFWSA-N 2 2 291.395 0.995 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H](n2ccnn2)C1)C1CC1 ZINC000519596638 390514550 /nfs/dbraw/zinc/51/45/50/390514550.db2.gz SBXFZYOEFXDYOD-ZIAGYGMSSA-N 2 2 279.388 0.370 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H](n2ccnn2)C1)C1CC1 ZINC000519596638 390514553 /nfs/dbraw/zinc/51/45/53/390514553.db2.gz SBXFZYOEFXDYOD-ZIAGYGMSSA-N 2 2 279.388 0.370 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H](n2ccnn2)C1)C1CC1 ZINC000519596638 390514556 /nfs/dbraw/zinc/51/45/56/390514556.db2.gz SBXFZYOEFXDYOD-ZIAGYGMSSA-N 2 2 279.388 0.370 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H](n2ccnn2)C1)C1CC1 ZINC000519596638 390514558 /nfs/dbraw/zinc/51/45/58/390514558.db2.gz SBXFZYOEFXDYOD-ZIAGYGMSSA-N 2 2 279.388 0.370 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[NH2+]CCc1cc[nH+]cc1C ZINC000566112281 390580373 /nfs/dbraw/zinc/58/03/73/390580373.db2.gz UIJCTDQVDJUJHZ-ZFWWWQNUSA-N 2 2 282.384 0.935 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)cn21 ZINC000649329698 390587268 /nfs/dbraw/zinc/58/72/68/390587268.db2.gz CNXLFBDWNOWTPN-IMRBUKKESA-N 2 2 270.336 0.724 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCc2cccnc2)C[C@H](C)O1 ZINC000519639318 390521266 /nfs/dbraw/zinc/52/12/66/390521266.db2.gz NAEWAIWSQPMNTO-IJEWVQPXSA-N 2 2 293.411 0.684 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCc2cccnc2)C[C@H](C)O1 ZINC000519639318 390521270 /nfs/dbraw/zinc/52/12/70/390521270.db2.gz NAEWAIWSQPMNTO-IJEWVQPXSA-N 2 2 293.411 0.684 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649209439 390522953 /nfs/dbraw/zinc/52/29/53/390522953.db2.gz ZXVPSKLBAMRGAE-NWDGAFQWSA-N 2 2 273.340 0.847 20 0 CCADLP C[C@@H](c1nnnn1C1CC1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000519653964 390525425 /nfs/dbraw/zinc/52/54/25/390525425.db2.gz MWOPIHILSYSYRQ-UTLUCORTSA-N 2 2 250.350 0.738 20 0 CCADLP C[C@@H](c1nnnn1C1CC1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000519653964 390525430 /nfs/dbraw/zinc/52/54/30/390525430.db2.gz MWOPIHILSYSYRQ-UTLUCORTSA-N 2 2 250.350 0.738 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H]1[NH2+]CC1(C)C)[NH+]1CCOCC1 ZINC000645937281 390535959 /nfs/dbraw/zinc/53/59/59/390535959.db2.gz GXSBIWVDIHJTJC-TUAOUCFPSA-N 2 2 269.389 0.210 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3C[C@@H]([NH3+])C3)C2)CC1 ZINC000649334138 390590057 /nfs/dbraw/zinc/59/00/57/390590057.db2.gz NBSOQHWJUCOJNR-XQQFMLRXSA-N 3 2 280.416 0.008 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3C[C@@H]([NH3+])C3)C2)CC1 ZINC000649334138 390590062 /nfs/dbraw/zinc/59/00/62/390590062.db2.gz NBSOQHWJUCOJNR-XQQFMLRXSA-N 3 2 280.416 0.008 20 0 CCADLP CS[C@@H](C)CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000565823982 390549230 /nfs/dbraw/zinc/54/92/30/390549230.db2.gz XIZODJQEPKKVEJ-UWVGGRQHSA-N 2 2 260.407 0.022 20 0 CCADLP CS[C@@H](C)CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000565823982 390549238 /nfs/dbraw/zinc/54/92/38/390549238.db2.gz XIZODJQEPKKVEJ-UWVGGRQHSA-N 2 2 260.407 0.022 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@@H](CO)CC(F)(F)F)C1CC1 ZINC000565833945 390549961 /nfs/dbraw/zinc/54/99/61/390549961.db2.gz VKQCXUGFBUDJKG-PSASIEDQSA-N 2 2 270.295 0.344 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H](CO)CC(F)(F)F)C1CC1 ZINC000565833945 390549963 /nfs/dbraw/zinc/54/99/63/390549963.db2.gz VKQCXUGFBUDJKG-PSASIEDQSA-N 2 2 270.295 0.344 20 0 CCADLP O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1ccc2[nH+]ccn2c1 ZINC000645976268 390555707 /nfs/dbraw/zinc/55/57/07/390555707.db2.gz MBBRAIBQAOBVML-LLVKDONJSA-N 2 2 287.323 0.141 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C[C@H]3CC[NH2+]C3)C2)CC1 ZINC000645978109 390557807 /nfs/dbraw/zinc/55/78/07/390557807.db2.gz ROPBQOOJSRPXSG-ZIAGYGMSSA-N 3 2 294.443 0.271 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C[C@H]3CC[NH2+]C3)C2)CC1 ZINC000645978109 390557812 /nfs/dbraw/zinc/55/78/12/390557812.db2.gz ROPBQOOJSRPXSG-ZIAGYGMSSA-N 3 2 294.443 0.271 20 0 CCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649298510 390558906 /nfs/dbraw/zinc/55/89/06/390558906.db2.gz BXFQQUNSSMQRFR-IMRBUKKESA-N 2 2 274.368 0.344 20 0 CCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649298702 390558935 /nfs/dbraw/zinc/55/89/35/390558935.db2.gz XTISNOUTPHBNLJ-RTXFEEFZSA-N 2 2 274.368 0.629 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCCN(c2nc(C)ns2)CC1 ZINC000565955540 390563269 /nfs/dbraw/zinc/56/32/69/390563269.db2.gz KBKKBYKXRVWMAZ-CYBMUJFWSA-N 2 2 299.444 0.329 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCCN(c2nc(C)ns2)CC1 ZINC000565955540 390563273 /nfs/dbraw/zinc/56/32/73/390563273.db2.gz KBKKBYKXRVWMAZ-CYBMUJFWSA-N 2 2 299.444 0.329 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC(CC[NH3+])CC1 ZINC000566014522 390568771 /nfs/dbraw/zinc/56/87/71/390568771.db2.gz IYTKCGQMMZYYJC-CYBMUJFWSA-N 2 2 298.431 0.478 20 0 CCADLP CC(C)([NH3+])C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000646033349 390577633 /nfs/dbraw/zinc/57/76/33/390577633.db2.gz GCYHVKUMNGALBN-UHFFFAOYSA-N 2 2 272.352 0.922 20 0 CCADLP CN(C(=O)NCCn1cc[nH+]c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000522105837 390624960 /nfs/dbraw/zinc/62/49/60/390624960.db2.gz IBPTVMGHXPJDRK-ZDUSSCGKSA-N 2 2 277.372 0.761 20 0 CCADLP CN(C(=O)NCCn1cc[nH+]c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000522105837 390624963 /nfs/dbraw/zinc/62/49/63/390624963.db2.gz IBPTVMGHXPJDRK-ZDUSSCGKSA-N 2 2 277.372 0.761 20 0 CCADLP Cc1cccc2[nH+]c(CCNC(=O)N[C@H](C)C[NH3+])cn21 ZINC000646203691 390631666 /nfs/dbraw/zinc/63/16/66/390631666.db2.gz VJBPTHGFYAUAQS-SNVBAGLBSA-N 2 2 275.356 0.832 20 0 CCADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]CCC(=O)NC(N)=O)CCC2 ZINC000566673333 390637696 /nfs/dbraw/zinc/63/76/96/390637696.db2.gz IPIDSSPFLHYNPV-JTQLQIEISA-N 2 2 279.344 0.244 20 0 CCADLP COCC[NH2+]C1CC[NH+]([C@@H](C)C(=O)NC(C)(C)C)CC1 ZINC000521055085 390594445 /nfs/dbraw/zinc/59/44/45/390594445.db2.gz VJQKUPBLYUETDL-LBPRGKRZSA-N 2 2 285.432 0.990 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH2+]C(C)(C)c1cnn(C)c1 ZINC000566416870 390601216 /nfs/dbraw/zinc/60/12/16/390601216.db2.gz PXUXGPRAWFTSGJ-LBPRGKRZSA-N 2 2 254.378 0.557 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+]C(C)(C)c1cnn(C)c1 ZINC000566416870 390601219 /nfs/dbraw/zinc/60/12/19/390601219.db2.gz PXUXGPRAWFTSGJ-LBPRGKRZSA-N 2 2 254.378 0.557 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000566461704 390614779 /nfs/dbraw/zinc/61/47/79/390614779.db2.gz MZDOEVWRISCKQV-OCCSQVGLSA-N 2 2 294.399 0.551 20 0 CCADLP CC[NH+]1CCC(CNC(=O)[C@H]([NH3+])c2cscn2)CC1 ZINC000567608635 390705734 /nfs/dbraw/zinc/70/57/34/390705734.db2.gz GSIDHMMSAXAUOD-GFCCVEGCSA-N 2 2 282.413 0.991 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](OCC(C)C)C1 ZINC000567058468 390669270 /nfs/dbraw/zinc/66/92/70/390669270.db2.gz RXEISQGRAFUFFI-HUUCEWRRSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](OCC(C)C)C1 ZINC000567058468 390669274 /nfs/dbraw/zinc/66/92/74/390669274.db2.gz RXEISQGRAFUFFI-HUUCEWRRSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000567058468 390669277 /nfs/dbraw/zinc/66/92/77/390669277.db2.gz RXEISQGRAFUFFI-HUUCEWRRSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000567058468 390669279 /nfs/dbraw/zinc/66/92/79/390669279.db2.gz RXEISQGRAFUFFI-HUUCEWRRSA-N 2 2 288.432 0.672 20 0 CCADLP Cc1nc(N)c(CNC(=O)[C@H](C)[NH+]2CCSCC2)c[nH+]1 ZINC000567194967 390678841 /nfs/dbraw/zinc/67/88/41/390678841.db2.gz PWYQVQOHXYGSNG-VIFPVBQESA-N 2 2 295.412 0.251 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)n1C ZINC000567292501 390691989 /nfs/dbraw/zinc/69/19/89/390691989.db2.gz RVUDNNSQPZSUTG-JSGCOSHPSA-N 2 2 262.357 0.875 20 0 CCADLP OC[C@H]1CCCCN1c1cc(NC2C[NH2+]C2)nc[nH+]1 ZINC000567337906 390693415 /nfs/dbraw/zinc/69/34/15/390693415.db2.gz JJJTYPDPLSZLCX-LLVKDONJSA-N 2 2 263.345 0.212 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)[C@@H](C[NH3+])C1 ZINC000567361787 390695276 /nfs/dbraw/zinc/69/52/76/390695276.db2.gz KWKGWVAAMOHGAD-SOUVJXGZSA-N 2 2 288.395 0.827 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)[C@@H](C[NH3+])C1 ZINC000567361787 390695277 /nfs/dbraw/zinc/69/52/77/390695277.db2.gz KWKGWVAAMOHGAD-SOUVJXGZSA-N 2 2 288.395 0.827 20 0 CCADLP O=C(N[C@H]1CCC[NH2+]CC1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000646987208 390753669 /nfs/dbraw/zinc/75/36/69/390753669.db2.gz KDLHBQDRSDNXEY-NSHDSACASA-N 2 2 286.339 0.534 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[C@H]2O)C1 ZINC000571810553 390754543 /nfs/dbraw/zinc/75/45/43/390754543.db2.gz DNEUXVKUOZIIKS-RRFJBIMHSA-N 2 2 295.427 0.434 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](C[C@@H]2CCCC[C@H]2O)C1 ZINC000571810553 390754545 /nfs/dbraw/zinc/75/45/45/390754545.db2.gz DNEUXVKUOZIIKS-RRFJBIMHSA-N 2 2 295.427 0.434 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000571892653 390758154 /nfs/dbraw/zinc/75/81/54/390758154.db2.gz JXTSKOFSIQBKOZ-UPJWGTAASA-N 2 2 294.399 0.814 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2ccc3c[nH]nc3c2)[C@@H](C[NH3+])C1 ZINC000572481223 390785140 /nfs/dbraw/zinc/78/51/40/390785140.db2.gz YDNTZGHTYHNPME-ZDUSSCGKSA-N 2 2 287.367 0.207 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2ccc3c[nH]nc3c2)[C@@H](C[NH3+])C1 ZINC000572481223 390785142 /nfs/dbraw/zinc/78/51/42/390785142.db2.gz YDNTZGHTYHNPME-ZDUSSCGKSA-N 2 2 287.367 0.207 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000528955917 390785623 /nfs/dbraw/zinc/78/56/23/390785623.db2.gz SHHNGQBLGAPKPX-NEPJUHHUSA-N 2 2 250.346 0.743 20 0 CCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[NH+](C)C[C@H]1C[NH3+] ZINC000572499274 390786753 /nfs/dbraw/zinc/78/67/53/390786753.db2.gz MESBRQFVLLSTPS-CHWSQXEVSA-N 3 2 285.436 0.001 20 0 CCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC[NH+](C)C[C@H]1C[NH3+] ZINC000572499274 390786755 /nfs/dbraw/zinc/78/67/55/390786755.db2.gz MESBRQFVLLSTPS-CHWSQXEVSA-N 3 2 285.436 0.001 20 0 CCADLP CC[C@@H](C)[NH+](C)CCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000572499274 390786758 /nfs/dbraw/zinc/78/67/58/390786758.db2.gz MESBRQFVLLSTPS-CHWSQXEVSA-N 3 2 285.436 0.001 20 0 CCADLP CC[C@@H](C)[NH+](C)CCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000572499274 390786759 /nfs/dbraw/zinc/78/67/59/390786759.db2.gz MESBRQFVLLSTPS-CHWSQXEVSA-N 3 2 285.436 0.001 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)CO1 ZINC000647200366 390787112 /nfs/dbraw/zinc/78/71/12/390787112.db2.gz AKJKSEQGBGJAJM-UPJWGTAASA-N 2 2 292.383 0.678 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCc2ccsc2)[C@H](C[NH3+])C1 ZINC000572585553 390790725 /nfs/dbraw/zinc/79/07/25/390790725.db2.gz ZVNCMQINGYJPHG-LLVKDONJSA-N 2 2 268.386 0.532 20 0 CCADLP C[N@H+]1CCN(C(=O)NCc2ccsc2)[C@H](C[NH3+])C1 ZINC000572585553 390790726 /nfs/dbraw/zinc/79/07/26/390790726.db2.gz ZVNCMQINGYJPHG-LLVKDONJSA-N 2 2 268.386 0.532 20 0 CCADLP Cc1ccccc1[C@H]([NH3+])C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000572605742 390792155 /nfs/dbraw/zinc/79/21/55/390792155.db2.gz XFEKKQDSYMQEAV-ZFWWWQNUSA-N 2 2 291.395 0.832 20 0 CCADLP Cc1ccccc1[C@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000572605742 390792158 /nfs/dbraw/zinc/79/21/58/390792158.db2.gz XFEKKQDSYMQEAV-ZFWWWQNUSA-N 2 2 291.395 0.832 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCCc2ncn(C)n2)C[N@@H+]1C1CC1 ZINC000647231064 390795167 /nfs/dbraw/zinc/79/51/67/390795167.db2.gz DKNIYPKJMZSXSD-VXGBXAGGSA-N 2 2 263.389 0.963 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCCc2ncn(C)n2)C[N@H+]1C1CC1 ZINC000647231064 390795171 /nfs/dbraw/zinc/79/51/71/390795171.db2.gz DKNIYPKJMZSXSD-VXGBXAGGSA-N 2 2 263.389 0.963 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000529169728 390796233 /nfs/dbraw/zinc/79/62/33/390796233.db2.gz HRNHOUWPFUVXCK-UHFFFAOYSA-N 2 2 274.328 0.263 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)[C@]1(O)CCOC1 ZINC000647246782 390796812 /nfs/dbraw/zinc/79/68/12/390796812.db2.gz QJWANMJGCNSWJW-DYEKYZERSA-N 2 2 256.390 0.704 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)[C@]1(O)CCOC1 ZINC000647246782 390796813 /nfs/dbraw/zinc/79/68/13/390796813.db2.gz QJWANMJGCNSWJW-DYEKYZERSA-N 2 2 256.390 0.704 20 0 CCADLP OCC[N@@H+]1CCCC[C@H]1CNc1[nH+]cnc2[nH]ccc21 ZINC000572692285 390797300 /nfs/dbraw/zinc/79/73/00/390797300.db2.gz DUSGBUGDWZDLLL-NSHDSACASA-N 2 2 275.356 0.639 20 0 CCADLP OCC[N@H+]1CCCC[C@H]1CNc1[nH+]cnc2[nH]ccc21 ZINC000572692285 390797302 /nfs/dbraw/zinc/79/73/02/390797302.db2.gz DUSGBUGDWZDLLL-NSHDSACASA-N 2 2 275.356 0.639 20 0 CCADLP C[N@H+]1CCN(C(=O)COCCc2ccccc2)[C@@H](C[NH3+])C1 ZINC000572760570 390801863 /nfs/dbraw/zinc/80/18/63/390801863.db2.gz XDUDFKTYVYUVLA-HNNXBMFYSA-N 2 2 291.395 0.347 20 0 CCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCc1[nH+]ccn1C ZINC000529300255 390802754 /nfs/dbraw/zinc/80/27/54/390802754.db2.gz AWJIATXGPRCAAK-NSHDSACASA-N 2 2 265.361 0.560 20 0 CCADLP CC1(C)C[NH+](CC(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000571416859 390734957 /nfs/dbraw/zinc/73/49/57/390734957.db2.gz OGMKDIHZPBAEGF-UHFFFAOYSA-N 2 2 285.351 0.970 20 0 CCADLP CC[N@H+](CCN1CC[NH2+]CC1)[C@@H](C)CS(=O)(=O)CC ZINC000571443406 390736046 /nfs/dbraw/zinc/73/60/46/390736046.db2.gz FKEDIWCAAZZJNJ-ZDUSSCGKSA-N 2 2 291.461 0.037 20 0 CCADLP CC[N@@H+](CCN1CC[NH2+]CC1)[C@@H](C)CS(=O)(=O)CC ZINC000571443406 390736049 /nfs/dbraw/zinc/73/60/49/390736049.db2.gz FKEDIWCAAZZJNJ-ZDUSSCGKSA-N 2 2 291.461 0.037 20 0 CCADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000646917647 390740261 /nfs/dbraw/zinc/74/02/61/390740261.db2.gz CRCKUPWJQGAGEI-DYEKYZERSA-N 2 2 274.368 0.608 20 0 CCADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000646917647 390740263 /nfs/dbraw/zinc/74/02/63/390740263.db2.gz CRCKUPWJQGAGEI-DYEKYZERSA-N 2 2 274.368 0.608 20 0 CCADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)CC[NH2+]C3CC3)C2)CC1 ZINC000578081886 390863867 /nfs/dbraw/zinc/86/38/67/390863867.db2.gz CWTKZMKTEIEMLI-OAHLLOKOSA-N 2 2 294.443 0.367 20 0 CCADLP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)C1 ZINC000647515926 390828147 /nfs/dbraw/zinc/82/81/47/390828147.db2.gz BLEVYGDGRDABCG-HOTGVXAUSA-N 3 2 280.460 0.698 20 0 CCADLP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)C1 ZINC000647515926 390828151 /nfs/dbraw/zinc/82/81/51/390828151.db2.gz BLEVYGDGRDABCG-HOTGVXAUSA-N 3 2 280.460 0.698 20 0 CCADLP C[C@@H](C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)S(C)(=O)=O ZINC000575040296 390831436 /nfs/dbraw/zinc/83/14/36/390831436.db2.gz SQNQRLTWBMCEER-STQMWFEESA-N 2 2 292.445 0.510 20 0 CCADLP C[C@@H](C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)S(C)(=O)=O ZINC000575040296 390831439 /nfs/dbraw/zinc/83/14/39/390831439.db2.gz SQNQRLTWBMCEER-STQMWFEESA-N 2 2 292.445 0.510 20 0 CCADLP C[NH+]1CCN(C(=O)CSCC2CC[NH2+]CC2)CC1 ZINC000575057061 390832583 /nfs/dbraw/zinc/83/25/83/390832583.db2.gz ASBOXLNDXQNYBH-UHFFFAOYSA-N 2 2 271.430 0.493 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)[NH2+]C[C@@H](O)C(F)(F)F ZINC000647530403 390834368 /nfs/dbraw/zinc/83/43/68/390834368.db2.gz FXCQXADGSJHBFU-NXEZZACHSA-N 2 2 272.311 0.592 20 0 CCADLP C[C@@H](O)[C@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000647536441 390835841 /nfs/dbraw/zinc/83/58/41/390835841.db2.gz SAWAXOVEYKRNPY-WOSRLPQWSA-N 2 2 278.396 0.765 20 0 CCADLP C[C@@H](O)[C@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000647536441 390835843 /nfs/dbraw/zinc/83/58/43/390835843.db2.gz SAWAXOVEYKRNPY-WOSRLPQWSA-N 2 2 278.396 0.765 20 0 CCADLP CCOc1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)nc1 ZINC000647541601 390839301 /nfs/dbraw/zinc/83/93/01/390839301.db2.gz CJIKDTYMAOVMRA-OAHLLOKOSA-N 2 2 290.411 0.960 20 0 CCADLP COC[C@@]1(CNC(=O)[C@@H]([NH3+])c2cscn2)CCC[NH2+]1 ZINC000578435099 390883058 /nfs/dbraw/zinc/88/30/58/390883058.db2.gz POPQUOZHOUASQK-JQWIXIFHSA-N 2 2 284.385 0.028 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H](CO)Cc1ccco1 ZINC000532648303 390883177 /nfs/dbraw/zinc/88/31/77/390883177.db2.gz HZXDLBQQSVTYQR-YRGRVCCFSA-N 2 2 252.358 0.970 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H](CO)Cc1ccco1 ZINC000532648303 390883178 /nfs/dbraw/zinc/88/31/78/390883178.db2.gz HZXDLBQQSVTYQR-YRGRVCCFSA-N 2 2 252.358 0.970 20 0 CCADLP CC(C)NC(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533867086 390886787 /nfs/dbraw/zinc/88/67/87/390886787.db2.gz JIFWXUCQKMFPSQ-LLVKDONJSA-N 2 2 250.346 0.734 20 0 CCADLP CC(C)NC(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533867086 390886789 /nfs/dbraw/zinc/88/67/89/390886789.db2.gz JIFWXUCQKMFPSQ-LLVKDONJSA-N 2 2 250.346 0.734 20 0 CCADLP CC(C)NC(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533867093 390887171 /nfs/dbraw/zinc/88/71/71/390887171.db2.gz JIFWXUCQKMFPSQ-NSHDSACASA-N 2 2 250.346 0.734 20 0 CCADLP CC(C)NC(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000533867093 390887172 /nfs/dbraw/zinc/88/71/72/390887172.db2.gz JIFWXUCQKMFPSQ-NSHDSACASA-N 2 2 250.346 0.734 20 0 CCADLP C[N@@H+]1CCc2nc(NC(=O)C[C@H]3COCC[NH2+]3)sc2C1 ZINC000578645398 390896458 /nfs/dbraw/zinc/89/64/58/390896458.db2.gz KBZYRNLICIRFJC-VIFPVBQESA-N 2 2 296.396 0.448 20 0 CCADLP C[N@H+]1CCc2nc(NC(=O)C[C@H]3COCC[NH2+]3)sc2C1 ZINC000578645398 390896460 /nfs/dbraw/zinc/89/64/60/390896460.db2.gz KBZYRNLICIRFJC-VIFPVBQESA-N 2 2 296.396 0.448 20 0 CCADLP C[C@H](CNC(=O)COC1CC[NH2+]CC1)Cn1cc[nH+]c1 ZINC000578774872 390902261 /nfs/dbraw/zinc/90/22/61/390902261.db2.gz TVJMRWPZIYRMLR-GFCCVEGCSA-N 2 2 280.372 0.404 20 0 CCADLP COCCCC[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424286375 533257165 /nfs/dbraw/zinc/25/71/65/533257165.db2.gz GGQGHNILHKUBAY-QWHCGFSZSA-N 2 2 252.362 0.573 20 0 CCADLP COCCCC[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424286375 533257172 /nfs/dbraw/zinc/25/71/72/533257172.db2.gz GGQGHNILHKUBAY-QWHCGFSZSA-N 2 2 252.362 0.573 20 0 CCADLP COc1c(C[NH2+]Cc2c[nH+]c(N(C)C)n2C)c(C)nn1C ZINC000425337770 533418293 /nfs/dbraw/zinc/41/82/93/533418293.db2.gz NXBUIDCOLVBZKD-UHFFFAOYSA-N 2 2 292.387 0.826 20 0 CCADLP C[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C(=O)NCCF ZINC000425390136 533465922 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CCADLP C[NH2+]CCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000237114104 131005341 /nfs/dbraw/zinc/00/53/41/131005341.db2.gz KCFHUGUASDEUSS-UHFFFAOYSA-N 2 2 258.325 0.881 20 0 CCADLP O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CC[NH2+]CC1 ZINC000238020584 131072718 /nfs/dbraw/zinc/07/27/18/131072718.db2.gz BYNOAHAPEOCYSH-OAHLLOKOSA-N 2 2 289.379 0.319 20 0 CCADLP O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CC[NH2+]CC1 ZINC000238020584 131072720 /nfs/dbraw/zinc/07/27/20/131072720.db2.gz BYNOAHAPEOCYSH-OAHLLOKOSA-N 2 2 289.379 0.319 20 0 CCADLP C[C@H]1CC[N@H+](CCNS(C)(=O)=O)C[C@H]1n1cc[nH+]c1 ZINC000245709093 131089114 /nfs/dbraw/zinc/08/91/14/131089114.db2.gz ZAAZOYLIWRKZTR-NWDGAFQWSA-N 2 2 286.401 0.315 20 0 CCADLP C[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C[C@H]1n1cc[nH+]c1 ZINC000245709093 131089115 /nfs/dbraw/zinc/08/91/15/131089115.db2.gz ZAAZOYLIWRKZTR-NWDGAFQWSA-N 2 2 286.401 0.315 20 0 CCADLP C[C@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)[C@H]([NH3+])c1ccccc1 ZINC000251061256 131128124 /nfs/dbraw/zinc/12/81/24/131128124.db2.gz QITZKONUWAJBSG-QEJZJMRPSA-N 2 2 291.395 0.769 20 0 CCADLP C[C@@H](C[NH3+])C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000262364639 131215327 /nfs/dbraw/zinc/21/53/27/131215327.db2.gz KVVCWBWRSWLWPT-ZFWWWQNUSA-N 2 2 291.395 0.459 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000262675522 131249899 /nfs/dbraw/zinc/24/98/99/131249899.db2.gz UBBNKHBIPJKFGF-HNNXBMFYSA-N 2 2 291.395 0.785 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)NCc1[nH+]ccn1C ZINC000264101144 131394488 /nfs/dbraw/zinc/39/44/88/131394488.db2.gz FNTJEBJJUFQABN-UHFFFAOYSA-N 2 2 276.344 0.815 20 0 CCADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cnccn1 ZINC000268859765 132078596 /nfs/dbraw/zinc/07/85/96/132078596.db2.gz RWGDUSGQJSUGKJ-VXGBXAGGSA-N 2 2 250.346 0.584 20 0 CCADLP Cc1ccn2cc(CNC(=O)[C@H]3COCC[NH2+]3)[nH+]c2c1 ZINC000269226779 132136311 /nfs/dbraw/zinc/13/63/11/132136311.db2.gz AMQTZRGFNJSBPD-GFCCVEGCSA-N 2 2 274.324 0.247 20 0 CCADLP O=C(NCc1cn2c([nH+]1)CCCC2)[C@@H]1CSC[NH2+]1 ZINC000269256439 132144448 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C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@]1(OCCO)CCOC1 ZINC000658148479 413104027 /nfs/dbraw/zinc/10/40/27/413104027.db2.gz NATBMSFAFZSRAU-VHDGCEQUSA-N 2 2 284.400 0.227 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@@]1(CO)CCc2ccccc21)C1CC1 ZINC000685568959 545836961 /nfs/dbraw/zinc/83/69/61/545836961.db2.gz WQEJZJAXNIJKFO-NVXWUHKLSA-N 2 2 290.407 0.865 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@@]1(CO)CCc2ccccc21)C1CC1 ZINC000685568959 545836967 /nfs/dbraw/zinc/83/69/67/545836967.db2.gz WQEJZJAXNIJKFO-NVXWUHKLSA-N 2 2 290.407 0.865 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357070111 144056338 /nfs/dbraw/zinc/05/63/38/144056338.db2.gz FUGKQHFWYGKBPD-KGLIPLIRSA-N 2 2 283.416 0.461 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357070111 144056340 /nfs/dbraw/zinc/05/63/40/144056340.db2.gz FUGKQHFWYGKBPD-KGLIPLIRSA-N 2 2 283.416 0.461 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000357069932 144056432 /nfs/dbraw/zinc/05/64/32/144056432.db2.gz IAGAJPJTZFYXTQ-KBPBESRZSA-N 3 2 294.443 0.128 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000357069932 144056434 /nfs/dbraw/zinc/05/64/34/144056434.db2.gz IAGAJPJTZFYXTQ-KBPBESRZSA-N 3 2 294.443 0.128 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357070109 144056701 /nfs/dbraw/zinc/05/67/01/144056701.db2.gz FUGKQHFWYGKBPD-KBPBESRZSA-N 2 2 283.416 0.461 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357070109 144056702 /nfs/dbraw/zinc/05/67/02/144056702.db2.gz FUGKQHFWYGKBPD-KBPBESRZSA-N 2 2 283.416 0.461 20 0 CCADLP [NH3+]CCOCC[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000357082865 144058530 /nfs/dbraw/zinc/05/85/30/144058530.db2.gz PKTXLZFMSYKIMI-UHFFFAOYSA-N 2 2 283.416 0.686 20 0 CCADLP Cc1[nH+]ccn1CCCCNC(=O)[C@H](C)[NH+]1CCOCC1 ZINC000357271066 144076681 /nfs/dbraw/zinc/07/66/81/144076681.db2.gz RNTRIFCEWCZPOI-ZDUSSCGKSA-N 2 2 294.399 0.809 20 0 CCADLP CC(C)OC[C@@H](O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357722743 144116741 /nfs/dbraw/zinc/11/67/41/144116741.db2.gz MNXHLVJLICXMFF-AWEZNQCLSA-N 2 2 274.405 0.161 20 0 CCADLP CC(C)OC[C@@H](O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357722743 144116743 /nfs/dbraw/zinc/11/67/43/144116743.db2.gz MNXHLVJLICXMFF-AWEZNQCLSA-N 2 2 274.405 0.161 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000357806720 144123110 /nfs/dbraw/zinc/12/31/10/144123110.db2.gz MADHPWNYGFRTSX-OCCSQVGLSA-N 2 2 269.389 0.356 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000357806720 144123111 /nfs/dbraw/zinc/12/31/11/144123111.db2.gz MADHPWNYGFRTSX-OCCSQVGLSA-N 2 2 269.389 0.356 20 0 CCADLP CC(C)[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(=O)N1CCCC1 ZINC000685571316 545838619 /nfs/dbraw/zinc/83/86/19/545838619.db2.gz BODAXVXSHKVBOI-GJZGRUSLSA-N 2 2 297.443 0.678 20 0 CCADLP CC(C)[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(=O)N1CCCC1 ZINC000685571316 545838624 /nfs/dbraw/zinc/83/86/24/545838624.db2.gz BODAXVXSHKVBOI-GJZGRUSLSA-N 2 2 297.443 0.678 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[NH+](C)[C@H](C)C2)C1 ZINC000358693533 144173007 /nfs/dbraw/zinc/17/30/07/144173007.db2.gz ZEBWBTIHKQFXGF-UPJWGTAASA-N 2 2 269.389 0.258 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[NH+](C)[C@H](C)C2)C1 ZINC000358693533 144173008 /nfs/dbraw/zinc/17/30/08/144173008.db2.gz ZEBWBTIHKQFXGF-UPJWGTAASA-N 2 2 269.389 0.258 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)c1csc(CC[NH3+])n1 ZINC000358844806 144182750 /nfs/dbraw/zinc/18/27/50/144182750.db2.gz GHUSJZCXWCJXAI-JTQLQIEISA-N 2 2 298.412 0.095 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)c1csc(CC[NH3+])n1 ZINC000358844806 144182751 /nfs/dbraw/zinc/18/27/51/144182751.db2.gz GHUSJZCXWCJXAI-JTQLQIEISA-N 2 2 298.412 0.095 20 0 CCADLP Cc1nc(N(C)[C@H]2CCC[N@H+](C)C2)nc(N(C)C)[nH+]1 ZINC000359152846 144197243 /nfs/dbraw/zinc/19/72/43/144197243.db2.gz ZUIASXQYKSMMIC-NSHDSACASA-N 2 2 264.377 0.776 20 0 CCADLP Cc1nc(N(C)[C@H]2CCC[N@@H+](C)C2)nc(N(C)C)[nH+]1 ZINC000359152846 144197244 /nfs/dbraw/zinc/19/72/44/144197244.db2.gz ZUIASXQYKSMMIC-NSHDSACASA-N 2 2 264.377 0.776 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC000359167815 144198544 /nfs/dbraw/zinc/19/85/44/144198544.db2.gz KCPXMAXOAIZADS-UHFFFAOYSA-N 2 2 277.328 0.671 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](OCC3CC3)C2)CC1 ZINC000368790665 144244845 /nfs/dbraw/zinc/24/48/45/144244845.db2.gz IQDZPBYWKAYAOX-OAHLLOKOSA-N 2 2 295.427 0.651 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](OCC3CC3)C2)CC1 ZINC000368790665 144244846 /nfs/dbraw/zinc/24/48/46/144244846.db2.gz IQDZPBYWKAYAOX-OAHLLOKOSA-N 2 2 295.427 0.651 20 0 CCADLP Cn1nccc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369278908 144262404 /nfs/dbraw/zinc/26/24/04/144262404.db2.gz UGPZOSAUFAJLIR-LBPRGKRZSA-N 2 2 291.399 0.318 20 0 CCADLP Cn1nccc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369278908 144262405 /nfs/dbraw/zinc/26/24/05/144262405.db2.gz UGPZOSAUFAJLIR-LBPRGKRZSA-N 2 2 291.399 0.318 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000369678930 144276520 /nfs/dbraw/zinc/27/65/20/144276520.db2.gz BZVSGVLNZQOIMD-CQSZACIVSA-N 2 2 281.400 0.261 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000369678930 144276522 /nfs/dbraw/zinc/27/65/22/144276522.db2.gz BZVSGVLNZQOIMD-CQSZACIVSA-N 2 2 281.400 0.261 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc(CO)cc1)C1CC1 ZINC000394036365 397515974 /nfs/dbraw/zinc/51/59/74/397515974.db2.gz MLQOBOWVXZSJSO-OAHLLOKOSA-N 2 2 264.369 0.724 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc(CO)cc1)C1CC1 ZINC000394036365 397515978 /nfs/dbraw/zinc/51/59/78/397515978.db2.gz MLQOBOWVXZSJSO-OAHLLOKOSA-N 2 2 264.369 0.724 20 0 CCADLP C[N@H+](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000372148797 144355231 /nfs/dbraw/zinc/35/52/31/144355231.db2.gz GLFPLNJGCBWRSC-NSHDSACASA-N 2 2 262.357 0.656 20 0 CCADLP C[N@@H+](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000372148797 144355232 /nfs/dbraw/zinc/35/52/32/144355232.db2.gz GLFPLNJGCBWRSC-NSHDSACASA-N 2 2 262.357 0.656 20 0 CCADLP Cn1cc(CN2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)cn1 ZINC000649414823 397608519 /nfs/dbraw/zinc/60/85/19/397608519.db2.gz ZOJPMEORVLMFPV-ZDUSSCGKSA-N 2 2 263.389 0.147 20 0 CCADLP Cn1cc(C[NH+]2CCN(C[C@H]3CC[NH2+]C3)CC2)cn1 ZINC000649414823 397608521 /nfs/dbraw/zinc/60/85/21/397608521.db2.gz ZOJPMEORVLMFPV-ZDUSSCGKSA-N 2 2 263.389 0.147 20 0 CCADLP C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000649414252 397608805 /nfs/dbraw/zinc/60/88/05/397608805.db2.gz OOGVVAFRJWZCRG-CABCVRRESA-N 2 2 294.443 0.224 20 0 CCADLP C[C@H](C(=O)N1CCCC1)N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000649414252 397608806 /nfs/dbraw/zinc/60/88/06/397608806.db2.gz OOGVVAFRJWZCRG-CABCVRRESA-N 2 2 294.443 0.224 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC(=O)NC(=O)NC(C)(C)C ZINC000420356050 296586599 /nfs/dbraw/zinc/58/65/99/296586599.db2.gz CKRNFOLUBCSMDI-JFGNBEQYSA-N 2 2 284.404 0.587 20 0 CCADLP CCOC1CC(O)(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000423082427 286014372 /nfs/dbraw/zinc/01/43/72/286014372.db2.gz FGFDLJCBGSISCW-RAFNIBEQSA-N 2 2 284.400 0.273 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)NCC[NH+]1CCC1 ZINC000548816610 286071279 /nfs/dbraw/zinc/07/12/79/286071279.db2.gz WXEOYBQYQSXGDC-UHFFFAOYSA-N 2 2 284.404 0.102 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)NCC[NH+]1CCC1 ZINC000548816610 286071280 /nfs/dbraw/zinc/07/12/80/286071280.db2.gz WXEOYBQYQSXGDC-UHFFFAOYSA-N 2 2 284.404 0.102 20 0 CCADLP C[N@H+](CC(=O)NC(=O)NC1CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000552197005 286158528 /nfs/dbraw/zinc/15/85/28/286158528.db2.gz BDPQXQFEWFTFNY-FUNVUKJBSA-N 2 2 294.399 0.532 20 0 CCADLP C[N@@H+](CC(=O)NC(=O)NC1CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000552197005 286158529 /nfs/dbraw/zinc/15/85/29/286158529.db2.gz BDPQXQFEWFTFNY-FUNVUKJBSA-N 2 2 294.399 0.532 20 0 CCADLP C[NH+](CC(=O)NC(=O)NC1CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000552197005 286158530 /nfs/dbraw/zinc/15/85/30/286158530.db2.gz BDPQXQFEWFTFNY-FUNVUKJBSA-N 2 2 294.399 0.532 20 0 CCADLP C[NH+](CC(=O)NC(=O)NC1CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000552197005 286158531 /nfs/dbraw/zinc/15/85/31/286158531.db2.gz BDPQXQFEWFTFNY-FUNVUKJBSA-N 2 2 294.399 0.532 20 0 CCADLP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000444179598 304389733 /nfs/dbraw/zinc/38/97/33/304389733.db2.gz ZQGBOVOQSWMGSP-IJEWVQPXSA-N 2 2 293.411 0.309 20 0 CCADLP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1nccn1C ZINC000182819283 287021268 /nfs/dbraw/zinc/02/12/68/287021268.db2.gz GLTALHWSAREJJS-GFCCVEGCSA-N 2 2 279.388 0.235 20 0 CCADLP C[N@H+](CCC[NH3+])CC(=O)NCc1ccccc1F ZINC000123291207 411711718 /nfs/dbraw/zinc/71/17/18/411711718.db2.gz KORAKOPSJKNSSU-UHFFFAOYSA-N 2 2 253.321 0.723 20 0 CCADLP C[N@@H+](CCC[NH3+])CC(=O)NCc1ccccc1F ZINC000123291207 411711722 /nfs/dbraw/zinc/71/17/22/411711722.db2.gz KORAKOPSJKNSSU-UHFFFAOYSA-N 2 2 253.321 0.723 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000049154309 411669938 /nfs/dbraw/zinc/66/99/38/411669938.db2.gz YQBDQHCDJNJZTQ-NWDGAFQWSA-N 2 2 265.361 0.665 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000049154309 411669942 /nfs/dbraw/zinc/66/99/42/411669942.db2.gz YQBDQHCDJNJZTQ-NWDGAFQWSA-N 2 2 265.361 0.665 20 0 CCADLP CC[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)CCOC)[C@@H](CC)CO1 ZINC000403999042 411791199 /nfs/dbraw/zinc/79/11/99/411791199.db2.gz ZQMBJSKHQRUWOI-RRFJBIMHSA-N 2 2 288.432 0.815 20 0 CCADLP CC[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)CCOC)[C@@H](CC)CO1 ZINC000403999042 411791201 /nfs/dbraw/zinc/79/12/01/411791201.db2.gz ZQMBJSKHQRUWOI-RRFJBIMHSA-N 2 2 288.432 0.815 20 0 CCADLP CC[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)CCOC)[C@@H](CC)CO1 ZINC000403999042 411791205 /nfs/dbraw/zinc/79/12/05/411791205.db2.gz ZQMBJSKHQRUWOI-RRFJBIMHSA-N 2 2 288.432 0.815 20 0 CCADLP CC[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)CCOC)[C@@H](CC)CO1 ZINC000403999042 411791207 /nfs/dbraw/zinc/79/12/07/411791207.db2.gz ZQMBJSKHQRUWOI-RRFJBIMHSA-N 2 2 288.432 0.815 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407302702 411805271 /nfs/dbraw/zinc/80/52/71/411805271.db2.gz CSIWOHIUCZQHHM-NEPJUHHUSA-N 2 2 262.357 0.909 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CNC[C@@H]2CCC[N@@H+]2C)C[C@@H](C)O1 ZINC000521996137 411826028 /nfs/dbraw/zinc/82/60/28/411826028.db2.gz SAKYVKDUKLKLEM-APIJFGDWSA-N 2 2 285.432 0.140 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CNC[C@@H]2CCC[N@H+]2C)C[C@@H](C)O1 ZINC000521996137 411826031 /nfs/dbraw/zinc/82/60/31/411826031.db2.gz SAKYVKDUKLKLEM-APIJFGDWSA-N 2 2 285.432 0.140 20 0 CCADLP C[C@@H](CCCCO)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000651380050 411857054 /nfs/dbraw/zinc/85/70/54/411857054.db2.gz ZDYIIAIBOGQYIH-KBPBESRZSA-N 2 2 258.406 0.974 20 0 CCADLP C[C@@H](CCCCO)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000651380050 411857057 /nfs/dbraw/zinc/85/70/57/411857057.db2.gz ZDYIIAIBOGQYIH-KBPBESRZSA-N 2 2 258.406 0.974 20 0 CCADLP C[NH+](C)CCN1CCN(c2cc[nH+]c3ccncc32)CC1=O ZINC000651383303 411858133 /nfs/dbraw/zinc/85/81/33/411858133.db2.gz UKKJJUUIFPNYKF-UHFFFAOYSA-N 2 2 299.378 0.840 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CC[C@]2(O)CCCOC2)n1C ZINC000652041196 411979205 /nfs/dbraw/zinc/97/92/05/411979205.db2.gz VXDKPMJZNAHXTJ-CQSZACIVSA-N 2 2 282.388 0.507 20 0 CCADLP C[NH2+]C[C@](C)(O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000652338812 412030986 /nfs/dbraw/zinc/03/09/86/412030986.db2.gz BXPJHZQPNCDZKN-ZDUSSCGKSA-N 3 2 252.362 0.560 20 0 CCADLP Cc1[nH+]cc2n1C[C@H](C(=O)NCCc1cn(C)c[nH+]1)CC2 ZINC000652430263 412052674 /nfs/dbraw/zinc/05/26/74/412052674.db2.gz WPPOFVWMIVJZMN-GFCCVEGCSA-N 2 2 287.367 0.846 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000653091545 412214654 /nfs/dbraw/zinc/21/46/54/412214654.db2.gz ZGICSYRDFWMXDI-LBPRGKRZSA-N 2 2 290.367 0.789 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCCOC(C)(C)C1 ZINC000653093908 412215240 /nfs/dbraw/zinc/21/52/40/412215240.db2.gz QRSFHHFVDDFBFN-LLVKDONJSA-N 2 2 257.378 0.293 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000653051352 412202200 /nfs/dbraw/zinc/20/22/00/412202200.db2.gz WJBDGJYQMJAXMW-QWHCGFSZSA-N 3 2 270.421 0.289 20 0 CCADLP COc1ccccc1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653056483 412203676 /nfs/dbraw/zinc/20/36/76/412203676.db2.gz IROPOYCVSPKQEE-SNVBAGLBSA-N 2 2 251.330 0.913 20 0 CCADLP COc1ccccc1CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653060031 412205542 /nfs/dbraw/zinc/20/55/42/412205542.db2.gz VZCHHMUNFOOAJV-ZDUSSCGKSA-N 2 2 279.384 0.633 20 0 CCADLP CC(C)c1nnc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)s1 ZINC000653062125 412206455 /nfs/dbraw/zinc/20/64/55/412206455.db2.gz MOMULSHQSSZAGU-QMMMGPOBSA-N 2 2 271.390 0.879 20 0 CCADLP Cc1cc(C)n(CCCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)n1 ZINC000653058285 412206530 /nfs/dbraw/zinc/20/65/30/412206530.db2.gz MJEVXLYCBMFNPY-ZDUSSCGKSA-N 2 2 281.404 0.285 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@H](O)C1CCCCC1 ZINC000653072358 412208311 /nfs/dbraw/zinc/20/83/11/412208311.db2.gz OZMOPWMLNUANCU-CHWSQXEVSA-N 2 2 271.405 0.323 20 0 CCADLP CCO[C@@H]1C[C@@H](N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)C1(C)C ZINC000653094377 412215481 /nfs/dbraw/zinc/21/54/81/412215481.db2.gz CWQOYLGSNUDGAC-JHJVBQTASA-N 2 2 285.432 0.927 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C[C@H](C)S1 ZINC000653080351 412211818 /nfs/dbraw/zinc/21/18/18/412211818.db2.gz CPMMJCZPXOCHLL-OUAUKWLOSA-N 2 2 259.419 0.618 20 0 CCADLP CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@H]1CCCOC1 ZINC000653249098 412267045 /nfs/dbraw/zinc/26/70/45/412267045.db2.gz OOSYDLVTPZQLMF-RYUDHWBXSA-N 2 2 257.378 0.293 20 0 CCADLP Cc1ccc2c(c1)[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)CO2 ZINC000653098402 412216741 /nfs/dbraw/zinc/21/67/41/412216741.db2.gz MMIUJNNNWJKVEN-OLZOCXBDSA-N 2 2 277.368 0.824 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)Oc1ccc(F)cc1 ZINC000653096220 412217771 /nfs/dbraw/zinc/21/77/71/412217771.db2.gz GOGOPZUPPFGMOP-FZMZJTMJSA-N 2 2 297.374 0.988 20 0 CCADLP CO[C@]1(C)C[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C1(C)C ZINC000653102101 412218463 /nfs/dbraw/zinc/21/84/63/412218463.db2.gz NWUOLPXTJFFJTF-JTNHKYCSSA-N 2 2 271.405 0.585 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000653104569 412220843 /nfs/dbraw/zinc/22/08/43/412220843.db2.gz LNNAGZIYNAPKLZ-XQHKEYJVSA-N 2 2 269.389 0.339 20 0 CCADLP C[C@@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)[N@@H+]1CCCC[C@H]1C ZINC000653109871 412221324 /nfs/dbraw/zinc/22/13/24/412221324.db2.gz PSDACFAHGBSXKD-HZSPNIEDSA-N 3 2 284.448 0.645 20 0 CCADLP C[C@@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)[N@H+]1CCCC[C@H]1C ZINC000653109871 412221327 /nfs/dbraw/zinc/22/13/27/412221327.db2.gz PSDACFAHGBSXKD-HZSPNIEDSA-N 3 2 284.448 0.645 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000653109814 412221994 /nfs/dbraw/zinc/22/19/94/412221994.db2.gz NLWPNTYLPDNQQO-HNNXBMFYSA-N 3 2 296.459 0.600 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000653109815 412222140 /nfs/dbraw/zinc/22/21/40/412222140.db2.gz NLWPNTYLPDNQQO-OAHLLOKOSA-N 3 2 296.459 0.600 20 0 CCADLP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653111774 412223322 /nfs/dbraw/zinc/22/33/22/412223322.db2.gz AJNCTMXSYOBBGG-VXGBXAGGSA-N 3 2 258.410 0.112 20 0 CCADLP CN1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)c2ccccc21 ZINC000653112224 412223501 /nfs/dbraw/zinc/22/35/01/412223501.db2.gz ROEJEANOCSJYJG-GFCCVEGCSA-N 2 2 276.384 0.748 20 0 CCADLP Cc1ncc(CN(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C)s1 ZINC000653112232 412224197 /nfs/dbraw/zinc/22/41/97/412224197.db2.gz RQQCMFWYKMEYQB-NSHDSACASA-N 2 2 270.402 0.689 20 0 CCADLP [NH3+]CC(F)(F)CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000653112124 412224409 /nfs/dbraw/zinc/22/44/09/412224409.db2.gz MRBBFUYUJHOJHV-NSHDSACASA-N 2 2 291.342 0.294 20 0 CCADLP O=C(NCCCCn1cc[nH+]c1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653112205 412224475 /nfs/dbraw/zinc/22/44/75/412224475.db2.gz QFICCZQRXKTAAZ-JSGCOSHPSA-N 2 2 278.356 0.016 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)CCO1 ZINC000653114396 412226086 /nfs/dbraw/zinc/22/60/86/412226086.db2.gz GQZSEMYBFSMAKD-KBPBESRZSA-N 2 2 295.427 0.744 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)CCO1 ZINC000653114396 412226090 /nfs/dbraw/zinc/22/60/90/412226090.db2.gz GQZSEMYBFSMAKD-KBPBESRZSA-N 2 2 295.427 0.744 20 0 CCADLP C[C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000653113869 412226783 /nfs/dbraw/zinc/22/67/83/412226783.db2.gz QOOJJONQXXJODH-KGLIPLIRSA-N 3 2 284.448 0.502 20 0 CCADLP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653121760 412229763 /nfs/dbraw/zinc/22/97/63/412229763.db2.gz BBKKTGGFEBSCTB-ZIAGYGMSSA-N 3 2 284.448 0.598 20 0 CCADLP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653121760 412229766 /nfs/dbraw/zinc/22/97/66/412229766.db2.gz BBKKTGGFEBSCTB-ZIAGYGMSSA-N 3 2 284.448 0.598 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000653128651 412234441 /nfs/dbraw/zinc/23/44/41/412234441.db2.gz QSFUUVAPQJVZEC-NWDGAFQWSA-N 2 2 276.384 0.958 20 0 CCADLP CN(C(=O)Cc1cn2c([nH+]1)CCCC2)C1CC([NH3+])C1 ZINC000653145423 412240599 /nfs/dbraw/zinc/24/05/99/412240599.db2.gz UXLQNRWINUWORC-UHFFFAOYSA-N 2 2 262.357 0.710 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC1Cc2ccccc2C1 ZINC000653147801 412241815 /nfs/dbraw/zinc/24/18/15/412241815.db2.gz AWEMEYZPHVIAII-AWEZNQCLSA-N 2 2 261.369 0.549 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCCc1ccccn1 ZINC000653151661 412242886 /nfs/dbraw/zinc/24/28/86/412242886.db2.gz NMQYUHNVUDDFNY-CYBMUJFWSA-N 2 2 264.373 0.409 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000653152676 412245359 /nfs/dbraw/zinc/24/53/59/412245359.db2.gz VUYOFSLVBFDQEI-HZSPNIEDSA-N 3 2 282.432 0.208 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000653152676 412245363 /nfs/dbraw/zinc/24/53/63/412245363.db2.gz VUYOFSLVBFDQEI-HZSPNIEDSA-N 3 2 282.432 0.208 20 0 CCADLP CC(C)[N@H+]1CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653168297 412251083 /nfs/dbraw/zinc/25/10/83/412251083.db2.gz XJKIATIEBXQWCH-CYBMUJFWSA-N 3 2 270.421 0.208 20 0 CCADLP CC(C)[NH2+][C@H]1CCC[N@H+](CC[C@H]2CCNC2=O)C1 ZINC000653578973 412321117 /nfs/dbraw/zinc/32/11/17/412321117.db2.gz HXZDROICEVJFCH-OLZOCXBDSA-N 2 2 253.390 0.975 20 0 CCADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CC[C@H]2CCNC2=O)C1 ZINC000653578973 412321119 /nfs/dbraw/zinc/32/11/19/412321119.db2.gz HXZDROICEVJFCH-OLZOCXBDSA-N 2 2 253.390 0.975 20 0 CCADLP Cn1c[nH+]cc1CCCN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000653589612 412323309 /nfs/dbraw/zinc/32/33/09/412323309.db2.gz SNXIMUDBMWZCRF-OAHLLOKOSA-N 2 2 278.400 0.759 20 0 CCADLP Cn1c[nH+]cc1CCC[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000653589612 412323312 /nfs/dbraw/zinc/32/33/12/412323312.db2.gz SNXIMUDBMWZCRF-OAHLLOKOSA-N 2 2 278.400 0.759 20 0 CCADLP CCn1nnc(C)c1C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000653644015 412328855 /nfs/dbraw/zinc/32/88/55/412328855.db2.gz ILFXBOMLIQOZQP-UHFFFAOYSA-N 2 2 275.360 0.652 20 0 CCADLP Cn1cnnc1N1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000653822267 412351411 /nfs/dbraw/zinc/35/14/11/412351411.db2.gz ICMWOXPXXIHPRX-UHFFFAOYSA-N 2 2 289.387 0.303 20 0 CCADLP COc1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1O ZINC000653346921 412292998 /nfs/dbraw/zinc/29/29/98/412292998.db2.gz LTRCAJHJBGVPTF-SNVBAGLBSA-N 2 2 267.329 0.618 20 0 CCADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000654536737 412410191 /nfs/dbraw/zinc/41/01/91/412410191.db2.gz BNZICMUWAQLXMH-RWMBFGLXSA-N 2 2 291.399 0.837 20 0 CCADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000654567412 412415658 /nfs/dbraw/zinc/41/56/58/412415658.db2.gz JYTQGQUGUOKLCO-SDDRHHMPSA-N 2 2 291.399 0.906 20 0 CCADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000654567412 412415660 /nfs/dbraw/zinc/41/56/60/412415660.db2.gz JYTQGQUGUOKLCO-SDDRHHMPSA-N 2 2 291.399 0.906 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000654588932 412418394 /nfs/dbraw/zinc/41/83/94/412418394.db2.gz PQMIZMXNCMAJAR-BJHJDKERSA-N 2 2 279.388 0.602 20 0 CCADLP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000654928874 412450680 /nfs/dbraw/zinc/45/06/80/412450680.db2.gz SVRBBZOJHXSVSL-JHJVBQTASA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000654928874 412450682 /nfs/dbraw/zinc/45/06/82/412450682.db2.gz SVRBBZOJHXSVSL-JHJVBQTASA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H](NC(=O)C[NH+]1CC[C@@H](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000654928874 412450685 /nfs/dbraw/zinc/45/06/85/412450685.db2.gz SVRBBZOJHXSVSL-JHJVBQTASA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H](NC(=O)C[NH+]1CC[C@@H](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000654928874 412450686 /nfs/dbraw/zinc/45/06/86/412450686.db2.gz SVRBBZOJHXSVSL-JHJVBQTASA-N 2 2 269.389 0.164 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000655105308 412479315 /nfs/dbraw/zinc/47/93/15/412479315.db2.gz VZYCITOGZBJZPO-NTZNESFSSA-N 2 2 262.357 0.751 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000655105308 412479316 /nfs/dbraw/zinc/47/93/16/412479316.db2.gz VZYCITOGZBJZPO-NTZNESFSSA-N 2 2 262.357 0.751 20 0 CCADLP [NH3+][C@@H]1CN(C(=O)NCc2cn3ccccc3[nH+]2)CC[C@H]1F ZINC000659427845 413494558 /nfs/dbraw/zinc/49/45/58/413494558.db2.gz IXWUHJJDSHIRHN-VXGBXAGGSA-N 2 2 291.330 0.915 20 0 CCADLP CN(CC(C)(C)[NH3+])C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000659449635 413508512 /nfs/dbraw/zinc/50/85/12/413508512.db2.gz LQULQYRRNAYETA-UHFFFAOYSA-N 2 2 286.420 0.476 20 0 CCADLP CN(CC(C)(C)[NH3+])C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000659449635 413508518 /nfs/dbraw/zinc/50/85/18/413508518.db2.gz LQULQYRRNAYETA-UHFFFAOYSA-N 2 2 286.420 0.476 20 0 CCADLP [NH3+][C@@H]1CCC[C@H](NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000659536535 413620752 /nfs/dbraw/zinc/62/07/52/413620752.db2.gz IHMSCPQFXTWMFH-RDBSUJKOSA-N 2 2 296.415 0.372 20 0 CCADLP C[C@H](NC(=O)N[C@H]1C[NH2+]CC[C@H]1C)c1[nH+]ccn1C ZINC000659536525 413622416 /nfs/dbraw/zinc/62/24/16/413622416.db2.gz NPFSTBWIKRPQLN-VWYCJHECSA-N 2 2 265.361 0.778 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000659638352 413742891 /nfs/dbraw/zinc/74/28/91/413742891.db2.gz JVGGAACFUKXOES-GFCCVEGCSA-N 2 2 280.372 0.715 20 0 CCADLP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659620882 413717481 /nfs/dbraw/zinc/71/74/81/413717481.db2.gz RRXIQOUWBJYGNY-UONOGXRCSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H](NC(=O)N1CC[NH2+]C[C@@](C)(F)C1)c1[nH+]ccn1C ZINC000659629046 413726250 /nfs/dbraw/zinc/72/62/50/413726250.db2.gz TZQSMNIDFYIIHB-ZWNOBZJWSA-N 2 2 283.351 0.824 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000659646733 413751260 /nfs/dbraw/zinc/75/12/60/413751260.db2.gz QNUDGCCDZBDSPS-JTQLQIEISA-N 2 2 265.361 0.907 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000659751594 413847975 /nfs/dbraw/zinc/84/79/75/413847975.db2.gz HURWNXUTXWSUSH-WDEREUQCSA-N 2 2 293.371 0.187 20 0 CCADLP O=C1C[C@H](C[N@@H+]2CCC[C@@H]2C[NH+]2CCCC2)CN1 ZINC000659871217 413929301 /nfs/dbraw/zinc/92/93/01/413929301.db2.gz PEGLZWUOOAPURY-QWHCGFSZSA-N 2 2 251.374 0.683 20 0 CCADLP O=C1C[C@H](C[N@H+]2CCC[C@@H]2C[NH+]2CCCC2)CN1 ZINC000659871217 413929303 /nfs/dbraw/zinc/92/93/03/413929303.db2.gz PEGLZWUOOAPURY-QWHCGFSZSA-N 2 2 251.374 0.683 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCc2c[nH]nn2)CC1 ZINC000659909282 413961158 /nfs/dbraw/zinc/96/11/58/413961158.db2.gz JHNQSQXMRMOZQQ-HNNXBMFYSA-N 2 2 292.431 0.449 20 0 CCADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCc2c[nH]nn2)CC1 ZINC000659909282 413961162 /nfs/dbraw/zinc/96/11/62/413961162.db2.gz JHNQSQXMRMOZQQ-HNNXBMFYSA-N 2 2 292.431 0.449 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCc2cn[nH]n2)CC1 ZINC000659909282 413961171 /nfs/dbraw/zinc/96/11/71/413961171.db2.gz JHNQSQXMRMOZQQ-HNNXBMFYSA-N 2 2 292.431 0.449 20 0 CCADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCc2cn[nH]n2)CC1 ZINC000659909282 413961179 /nfs/dbraw/zinc/96/11/79/413961179.db2.gz JHNQSQXMRMOZQQ-HNNXBMFYSA-N 2 2 292.431 0.449 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CN1CCOCC1 ZINC000659959258 414000986 /nfs/dbraw/zinc/00/09/86/414000986.db2.gz FOHMLKMIRWHDJK-CVEARBPZSA-N 2 2 299.459 0.484 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CN1CCOCC1 ZINC000659959258 414000993 /nfs/dbraw/zinc/00/09/93/414000993.db2.gz FOHMLKMIRWHDJK-CVEARBPZSA-N 2 2 299.459 0.484 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000659959258 414001003 /nfs/dbraw/zinc/00/10/03/414001003.db2.gz FOHMLKMIRWHDJK-CVEARBPZSA-N 2 2 299.459 0.484 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000659959258 414001011 /nfs/dbraw/zinc/00/10/11/414001011.db2.gz FOHMLKMIRWHDJK-CVEARBPZSA-N 2 2 299.459 0.484 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)CN1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000659959258 414001015 /nfs/dbraw/zinc/00/10/15/414001015.db2.gz FOHMLKMIRWHDJK-CVEARBPZSA-N 2 2 299.459 0.484 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)CN1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000659959258 414001025 /nfs/dbraw/zinc/00/10/25/414001025.db2.gz FOHMLKMIRWHDJK-CVEARBPZSA-N 2 2 299.459 0.484 20 0 CCADLP CCN1CC[C@@H]([NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC000660074155 414087051 /nfs/dbraw/zinc/08/70/51/414087051.db2.gz KTAVXZBHOVBMLM-LSDHHAIUSA-N 2 2 294.443 0.319 20 0 CCADLP CCN1CC[C@@H]([NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC000660074155 414087053 /nfs/dbraw/zinc/08/70/53/414087053.db2.gz KTAVXZBHOVBMLM-LSDHHAIUSA-N 2 2 294.443 0.319 20 0 CCADLP CCN(C)C(=O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660472769 414344087 /nfs/dbraw/zinc/34/40/87/414344087.db2.gz MHBFAYOEMUCXBV-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP CCN(C)C(=O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660472769 414344093 /nfs/dbraw/zinc/34/40/93/414344093.db2.gz MHBFAYOEMUCXBV-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@](C)(CO)c1cccc(O)c1 ZINC000660561122 414392564 /nfs/dbraw/zinc/39/25/64/414392564.db2.gz QBJCLYRQUCOVRC-HZPDHXFCSA-N 2 2 296.411 0.890 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@](C)(CO)c1cccc(O)c1 ZINC000660561122 414392572 /nfs/dbraw/zinc/39/25/72/414392572.db2.gz QBJCLYRQUCOVRC-HZPDHXFCSA-N 2 2 296.411 0.890 20 0 CCADLP CN1CC[C@H]([N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000660658617 414433919 /nfs/dbraw/zinc/43/39/19/414433919.db2.gz HXVDFUYWZHYETA-JSGCOSHPSA-N 2 2 251.374 0.635 20 0 CCADLP CN1CC[C@H]([N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000660658617 414433922 /nfs/dbraw/zinc/43/39/22/414433922.db2.gz HXVDFUYWZHYETA-JSGCOSHPSA-N 2 2 251.374 0.635 20 0 CCADLP CN1CC[C@H]([NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)C1=O ZINC000660658617 414433923 /nfs/dbraw/zinc/43/39/23/414433923.db2.gz HXVDFUYWZHYETA-JSGCOSHPSA-N 2 2 251.374 0.635 20 0 CCADLP CN1CC[C@H]([NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000660658617 414433926 /nfs/dbraw/zinc/43/39/26/414433926.db2.gz HXVDFUYWZHYETA-JSGCOSHPSA-N 2 2 251.374 0.635 20 0 CCADLP C[C@@H](NC(=O)N(C)CC1C[NH+](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000660708130 414455288 /nfs/dbraw/zinc/45/52/88/414455288.db2.gz VQNUMWKVLDWXDH-OLZOCXBDSA-N 2 2 298.431 0.299 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NC1CC[NH+](C)CC1 ZINC000660822840 414490771 /nfs/dbraw/zinc/49/07/71/414490771.db2.gz VXLXCNLISASYEG-UHFFFAOYSA-N 2 2 251.334 0.645 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)NC1CC[NH+](C)CC1 ZINC000660822840 414490774 /nfs/dbraw/zinc/49/07/74/414490774.db2.gz VXLXCNLISASYEG-UHFFFAOYSA-N 2 2 251.334 0.645 20 0 CCADLP C[C@@H]1C[NH+](CCN2C[C@H](C)[N@H+](CCO)C[C@@H]2C)C[C@@H](C)O1 ZINC000660822211 414491465 /nfs/dbraw/zinc/49/14/65/414491465.db2.gz BIFZDJHFJARSKG-CAOSSQGBSA-N 2 2 299.459 0.483 20 0 CCADLP C[C@@H]1C[NH+](CCN2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)C[C@@H](C)O1 ZINC000660822211 414491469 /nfs/dbraw/zinc/49/14/69/414491469.db2.gz BIFZDJHFJARSKG-CAOSSQGBSA-N 2 2 299.459 0.483 20 0 CCADLP Cc1[nH+]ccn1CCN1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000660824502 414493978 /nfs/dbraw/zinc/49/39/78/414493978.db2.gz OHJSUWCNWSDPGG-STQMWFEESA-N 2 2 266.389 0.578 20 0 CCADLP C[C@H](NC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)c1[nH+]ccn1C ZINC000660934269 414532480 /nfs/dbraw/zinc/53/24/80/414532480.db2.gz OLJJFNDWTPRUGN-SRVKXCTJSA-N 2 2 295.387 0.499 20 0 CCADLP C[C@H](NC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)c1[nH+]ccn1C ZINC000660934269 414532484 /nfs/dbraw/zinc/53/24/84/414532484.db2.gz OLJJFNDWTPRUGN-SRVKXCTJSA-N 2 2 295.387 0.499 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@](O)(C2CC2)C1 ZINC000661633141 414658366 /nfs/dbraw/zinc/65/83/66/414658366.db2.gz UNJWHMLQFWZNTD-GJZGRUSLSA-N 2 2 286.416 0.162 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@](O)(C2CC2)C1 ZINC000661633141 414658369 /nfs/dbraw/zinc/65/83/69/414658369.db2.gz UNJWHMLQFWZNTD-GJZGRUSLSA-N 2 2 286.416 0.162 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000661633141 414658371 /nfs/dbraw/zinc/65/83/71/414658371.db2.gz UNJWHMLQFWZNTD-GJZGRUSLSA-N 2 2 286.416 0.162 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000661633141 414658374 /nfs/dbraw/zinc/65/83/74/414658374.db2.gz UNJWHMLQFWZNTD-GJZGRUSLSA-N 2 2 286.416 0.162 20 0 CCADLP CC(C)N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662260956 414702219 /nfs/dbraw/zinc/70/22/19/414702219.db2.gz RYCQIFUPXRLTFQ-ZDUSSCGKSA-N 2 2 253.390 0.533 20 0 CCADLP CCc1nocc1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000662274291 414703932 /nfs/dbraw/zinc/70/39/32/414703932.db2.gz UKDLYKSOXQJWDR-CYBMUJFWSA-N 2 2 264.373 0.717 20 0 CCADLP CCc1nnc([C@@H](C)[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)[nH]1 ZINC000662276725 414704588 /nfs/dbraw/zinc/70/45/88/414704588.db2.gz PEMPRWPCPKWRQO-NEPJUHHUSA-N 2 2 278.404 0.408 20 0 CCADLP CCc1nnc([C@@H](C)[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)[nH]1 ZINC000662276725 414704589 /nfs/dbraw/zinc/70/45/89/414704589.db2.gz PEMPRWPCPKWRQO-NEPJUHHUSA-N 2 2 278.404 0.408 20 0 CCADLP CC(C)c1cccc(C[N@H+](CC[NH3+])C[C@@H](O)CO)c1 ZINC000662285481 414706232 /nfs/dbraw/zinc/70/62/32/414706232.db2.gz BMNCIQQPKLDILC-OAHLLOKOSA-N 2 2 266.385 0.924 20 0 CCADLP CC(C)c1cccc(C[N@@H+](CC[NH3+])C[C@@H](O)CO)c1 ZINC000662285481 414706233 /nfs/dbraw/zinc/70/62/33/414706233.db2.gz BMNCIQQPKLDILC-OAHLLOKOSA-N 2 2 266.385 0.924 20 0 CCADLP C[C@@H]1CCC[C@H](NC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)[C@H]1C ZINC000662286726 414706711 /nfs/dbraw/zinc/70/67/11/414706711.db2.gz ZRMMLJKGYPWBIN-RDBSUJKOSA-N 2 2 297.443 0.631 20 0 CCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)Nc1cc(F)ccc1F ZINC000662286698 414706724 /nfs/dbraw/zinc/70/67/24/414706724.db2.gz XYPNWOXKUFSRFY-UHFFFAOYSA-N 2 2 299.321 0.607 20 0 CCADLP CC(=O)Nc1cccc(C[NH2+]C2(CO)CC[NH2+]CC2)c1 ZINC000662287344 414706860 /nfs/dbraw/zinc/70/68/60/414706860.db2.gz YMSZGYQCAXBQEJ-UHFFFAOYSA-N 2 2 277.368 0.849 20 0 CCADLP [NH3+]CC[N@H+](CCc1ccc2ccccc2c1)C[C@H](O)CO ZINC000662287905 414707260 /nfs/dbraw/zinc/70/72/60/414707260.db2.gz CKHMBBUZVZPSEM-KRWDZBQOSA-N 2 2 288.391 0.996 20 0 CCADLP [NH3+]CC[N@@H+](CCc1ccc2ccccc2c1)C[C@H](O)CO ZINC000662287905 414707261 /nfs/dbraw/zinc/70/72/61/414707261.db2.gz CKHMBBUZVZPSEM-KRWDZBQOSA-N 2 2 288.391 0.996 20 0 CCADLP CNC(=O)c1ccc(C[N@@H+]2CC3CC2(C[NH3+])C3)cc1 ZINC000662304722 414708450 /nfs/dbraw/zinc/70/84/50/414708450.db2.gz WAALBFXBXNZVGL-UHFFFAOYSA-N 2 2 259.353 0.969 20 0 CCADLP CNC(=O)c1ccc(C[N@H+]2CC3CC2(C[NH3+])C3)cc1 ZINC000662304722 414708451 /nfs/dbraw/zinc/70/84/51/414708451.db2.gz WAALBFXBXNZVGL-UHFFFAOYSA-N 2 2 259.353 0.969 20 0 CCADLP C[NH+](C)CCC[C@@H]1C[N@H+](CC(=O)N2CCC2)CCO1 ZINC000662321829 414709670 /nfs/dbraw/zinc/70/96/70/414709670.db2.gz KBSCQACFJARZCS-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP C[NH+](C)CCC[C@@H]1C[N@@H+](CC(=O)N2CCC2)CCO1 ZINC000662321829 414709671 /nfs/dbraw/zinc/70/96/71/414709671.db2.gz KBSCQACFJARZCS-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP CCN(C)C(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662322923 414709842 /nfs/dbraw/zinc/70/98/42/414709842.db2.gz NSDNWMDFLHRCBB-CYBMUJFWSA-N 2 2 271.405 0.507 20 0 CCADLP CCN(C)C(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662322923 414709843 /nfs/dbraw/zinc/70/98/43/414709843.db2.gz NSDNWMDFLHRCBB-CYBMUJFWSA-N 2 2 271.405 0.507 20 0 CCADLP O=C(NCC[NH+]1CCOCC1)c1cccc2c1C[NH2+]C2 ZINC000662349491 414711447 /nfs/dbraw/zinc/71/14/47/414711447.db2.gz BUEUPEXTSWWITL-UHFFFAOYSA-N 2 2 275.352 0.352 20 0 CCADLP CCN1CC[C@H]([N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)C1=O ZINC000662326653 414710510 /nfs/dbraw/zinc/71/05/10/414710510.db2.gz YECQVRQUHLXTFO-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CCN1CC[C@H]([N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)C1=O ZINC000662326653 414710511 /nfs/dbraw/zinc/71/05/11/414710511.db2.gz YECQVRQUHLXTFO-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CN(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H](C[NH3+])C(F)(F)F ZINC000662331981 414710696 /nfs/dbraw/zinc/71/06/96/414710696.db2.gz QRIHCWVZRYZDLF-OUAUKWLOSA-N 2 2 281.322 0.671 20 0 CCADLP CN(CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H](C[NH3+])C(F)(F)F ZINC000662331981 414710697 /nfs/dbraw/zinc/71/06/97/414710697.db2.gz QRIHCWVZRYZDLF-OUAUKWLOSA-N 2 2 281.322 0.671 20 0 CCADLP c1cn(CC[N@H+](CCN2CCOCC2)CC2CC2)c[nH+]1 ZINC000661969341 414685691 /nfs/dbraw/zinc/68/56/91/414685691.db2.gz HZJAVBWDSWYQKK-UHFFFAOYSA-N 2 2 278.400 0.927 20 0 CCADLP c1cn(CC[N@@H+](CCN2CCOCC2)CC2CC2)c[nH+]1 ZINC000661969341 414685692 /nfs/dbraw/zinc/68/56/92/414685692.db2.gz HZJAVBWDSWYQKK-UHFFFAOYSA-N 2 2 278.400 0.927 20 0 CCADLP Cc1cnn(CC[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000662152780 414694441 /nfs/dbraw/zinc/69/44/41/414694441.db2.gz ZRTZNRJHRQOAMJ-HNNXBMFYSA-N 2 2 278.400 0.723 20 0 CCADLP Cc1cnn(CC[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000662152780 414694442 /nfs/dbraw/zinc/69/44/42/414694442.db2.gz ZRTZNRJHRQOAMJ-HNNXBMFYSA-N 2 2 278.400 0.723 20 0 CCADLP CC(C)(C)n1nnc(CC[N@@H+]2CCC[C@@H]2C[NH3+])n1 ZINC000662244562 414698844 /nfs/dbraw/zinc/69/88/44/414698844.db2.gz HXTRLTOZISRZTA-SNVBAGLBSA-N 2 2 252.366 0.394 20 0 CCADLP CC(C)(C)n1nnc(CC[N@H+]2CCC[C@@H]2C[NH3+])n1 ZINC000662244562 414698845 /nfs/dbraw/zinc/69/88/45/414698845.db2.gz HXTRLTOZISRZTA-SNVBAGLBSA-N 2 2 252.366 0.394 20 0 CCADLP CCC[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H]1CC[NH2+]C1 ZINC000662244091 414698962 /nfs/dbraw/zinc/69/89/62/414698962.db2.gz BIVUBBSWDXFSGQ-STQMWFEESA-N 3 2 253.390 0.581 20 0 CCADLP CCC[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H]1CC[NH2+]C1 ZINC000662244091 414698963 /nfs/dbraw/zinc/69/89/63/414698963.db2.gz BIVUBBSWDXFSGQ-STQMWFEESA-N 3 2 253.390 0.581 20 0 CCADLP Cc1cc(NC(=O)C[N@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)no1 ZINC000662248522 414699122 /nfs/dbraw/zinc/69/91/22/414699122.db2.gz FASSMOOCYAFZCQ-LLVKDONJSA-N 2 2 294.355 0.374 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)no1 ZINC000662248522 414699123 /nfs/dbraw/zinc/69/91/23/414699123.db2.gz FASSMOOCYAFZCQ-LLVKDONJSA-N 2 2 294.355 0.374 20 0 CCADLP O=C1C[C@@H](c2ccccc2)[N@H+](C[C@H]2C[NH2+]CCO2)CCN1 ZINC000662252514 414699998 /nfs/dbraw/zinc/69/99/98/414699998.db2.gz PBLRJIJYOFJTEG-CABCVRRESA-N 2 2 289.379 0.538 20 0 CCADLP O=C1C[C@@H](c2ccccc2)[N@@H+](C[C@H]2C[NH2+]CCO2)CCN1 ZINC000662252514 414699999 /nfs/dbraw/zinc/69/99/99/414699999.db2.gz PBLRJIJYOFJTEG-CABCVRRESA-N 2 2 289.379 0.538 20 0 CCADLP CC[C@@H]1C[N@H+](C[C@@H]2C[NH2+]CCO2)[C@H](CC)CN1C(C)=O ZINC000662257511 414700486 /nfs/dbraw/zinc/70/04/86/414700486.db2.gz PGGBABVZPHKMTD-KFWWJZLASA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@@H]1C[N@@H+](C[C@@H]2C[NH2+]CCO2)[C@H](CC)CN1C(C)=O ZINC000662257511 414700487 /nfs/dbraw/zinc/70/04/87/414700487.db2.gz PGGBABVZPHKMTD-KFWWJZLASA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H](C[NH3+])C(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000662760061 414768328 /nfs/dbraw/zinc/76/83/28/414768328.db2.gz VMOJYIQSGVDPER-VHSXEESVSA-N 2 2 250.346 0.924 20 0 CCADLP Cc1cc(C)cc(CC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000662429729 414717463 /nfs/dbraw/zinc/71/74/63/414717463.db2.gz SGVDKDXMKFFVQP-HNNXBMFYSA-N 2 2 275.396 0.947 20 0 CCADLP Cc1cc(C)cc(CC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000662429729 414717464 /nfs/dbraw/zinc/71/74/64/414717464.db2.gz SGVDKDXMKFFVQP-HNNXBMFYSA-N 2 2 275.396 0.947 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)c2ccc(C[NH3+])cc2)[C@@H](C)CO1 ZINC000662630205 414734932 /nfs/dbraw/zinc/73/49/32/414734932.db2.gz JVWXJTJPUYNICH-STQMWFEESA-N 2 2 291.395 0.984 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)c2ccc(C[NH3+])cc2)[C@@H](C)CO1 ZINC000662630205 414734933 /nfs/dbraw/zinc/73/49/33/414734933.db2.gz JVWXJTJPUYNICH-STQMWFEESA-N 2 2 291.395 0.984 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(N)cn1 ZINC000662632932 414735163 /nfs/dbraw/zinc/73/51/63/414735163.db2.gz HXGBAQKBIFHUSB-UHFFFAOYSA-N 2 2 279.388 0.277 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(N)cn1 ZINC000662632932 414735164 /nfs/dbraw/zinc/73/51/64/414735164.db2.gz HXGBAQKBIFHUSB-UHFFFAOYSA-N 2 2 279.388 0.277 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)[C@H](C)CO1 ZINC000662632340 414735316 /nfs/dbraw/zinc/73/53/16/414735316.db2.gz CHODXSZSVBPBNW-GUIRCDHDSA-N 2 2 281.400 0.211 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)[C@H](C)CO1 ZINC000662632340 414735317 /nfs/dbraw/zinc/73/53/17/414735317.db2.gz CHODXSZSVBPBNW-GUIRCDHDSA-N 2 2 281.400 0.211 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CC(C)(C)[NH3+] ZINC000662632986 414735362 /nfs/dbraw/zinc/73/53/62/414735362.db2.gz ICLGMXDSJZSPTC-UHFFFAOYSA-N 3 2 258.410 0.114 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CC(C)(C)[NH3+] ZINC000662632986 414735363 /nfs/dbraw/zinc/73/53/63/414735363.db2.gz ICLGMXDSJZSPTC-UHFFFAOYSA-N 3 2 258.410 0.114 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000662633271 414735450 /nfs/dbraw/zinc/73/54/50/414735450.db2.gz YLKLFFGZIDJXEL-OLZOCXBDSA-N 3 2 270.421 0.114 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000662633271 414735451 /nfs/dbraw/zinc/73/54/51/414735451.db2.gz YLKLFFGZIDJXEL-OLZOCXBDSA-N 3 2 270.421 0.114 20 0 CCADLP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662657232 414737792 /nfs/dbraw/zinc/73/77/92/414737792.db2.gz XUEDBCRMUDPBNS-YCPHGPKFSA-N 2 2 295.427 0.827 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@H]1[NH2+]CCC1(C)C)[NH+]1CCOCC1 ZINC000662673967 414739890 /nfs/dbraw/zinc/73/98/90/414739890.db2.gz UHRPBZVQZIMHGI-ZIAGYGMSSA-N 2 2 297.443 0.848 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)[C@H]3CCO[C@H]3C[NH3+])cn2c1 ZINC000662687411 414741143 /nfs/dbraw/zinc/74/11/43/414741143.db2.gz BTJAMHSGJXXLJN-STQMWFEESA-N 2 2 288.351 0.623 20 0 CCADLP [NH3+][C@H]1C[C@H](C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000662688791 414741521 /nfs/dbraw/zinc/74/15/21/414741521.db2.gz OXEWOGGDPURRER-AVGNSLFASA-N 2 2 267.373 0.047 20 0 CCADLP Cn1ncc(C2CCC2)c1CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000662702359 414743922 /nfs/dbraw/zinc/74/39/22/414743922.db2.gz ZRMFDKJLRBOOIQ-CYBMUJFWSA-N 2 2 293.415 0.583 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CC3([NH3+])CC3)C2)CC1 ZINC000662736320 414749390 /nfs/dbraw/zinc/74/93/90/414749390.db2.gz QPOZVNMUZYSVEJ-LBPRGKRZSA-N 3 2 280.416 0.153 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CC3([NH3+])CC3)C2)CC1 ZINC000662736320 414749394 /nfs/dbraw/zinc/74/93/94/414749394.db2.gz QPOZVNMUZYSVEJ-LBPRGKRZSA-N 3 2 280.416 0.153 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCCC[NH2+]2)[C@@H](C)CO1 ZINC000662860502 414851464 /nfs/dbraw/zinc/85/14/64/414851464.db2.gz SCCHEDXSVFJZDC-XQQFMLRXSA-N 2 2 269.389 0.354 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCCC[NH2+]2)[C@@H](C)CO1 ZINC000662860502 414851470 /nfs/dbraw/zinc/85/14/70/414851470.db2.gz SCCHEDXSVFJZDC-XQQFMLRXSA-N 2 2 269.389 0.354 20 0 CCADLP [NH3+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC[C@H]1F ZINC000662944985 414907973 /nfs/dbraw/zinc/90/79/73/414907973.db2.gz FCTKFUIDZJGSHF-HBNTYKKESA-N 2 2 266.320 0.343 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000662966624 414921094 /nfs/dbraw/zinc/92/10/94/414921094.db2.gz TVEZSXINQBOOPI-LLVKDONJSA-N 2 2 260.341 0.909 20 0 CCADLP CC(C)([NH3+])C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662911867 414886757 /nfs/dbraw/zinc/88/67/57/414886757.db2.gz WJWBUBUZEQYVMG-UHFFFAOYSA-N 2 2 269.389 0.295 20 0 CCADLP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000662926025 414896604 /nfs/dbraw/zinc/89/66/04/414896604.db2.gz NYMHOCCIGCIICY-NWDGAFQWSA-N 2 2 264.373 0.935 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663005326 414945972 /nfs/dbraw/zinc/94/59/72/414945972.db2.gz TUEKYTJXRMINFO-LSDHHAIUSA-N 3 2 296.459 0.504 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663005326 414945975 /nfs/dbraw/zinc/94/59/75/414945975.db2.gz TUEKYTJXRMINFO-LSDHHAIUSA-N 3 2 296.459 0.504 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CC1 ZINC000663363884 415050092 /nfs/dbraw/zinc/05/00/92/415050092.db2.gz NSUFQSRECURZHY-CVEARBPZSA-N 3 2 297.443 0.284 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CC1 ZINC000663363884 415050094 /nfs/dbraw/zinc/05/00/94/415050094.db2.gz NSUFQSRECURZHY-CVEARBPZSA-N 3 2 297.443 0.284 20 0 CCADLP C[C@H](CC(=O)N1CCOC2(C[NH2+]C2)C1)n1cc[nH+]c1 ZINC000663492841 415076734 /nfs/dbraw/zinc/07/67/34/415076734.db2.gz VDGVMXVSJHNWSM-LLVKDONJSA-N 2 2 264.329 0.035 20 0 CCADLP NC(=O)c1csc(C[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC000663497535 415078157 /nfs/dbraw/zinc/07/81/57/415078157.db2.gz GZAMKLAPTBCJBP-UHFFFAOYSA-N 2 2 251.355 0.689 20 0 CCADLP COc1c(N)[nH+]cnc1N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000663243373 415026739 /nfs/dbraw/zinc/02/67/39/415026739.db2.gz YQKNCLQXRFDOME-UTLUCORTSA-N 2 2 265.361 0.877 20 0 CCADLP COc1c(N)nc[nH+]c1N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000663243373 415026744 /nfs/dbraw/zinc/02/67/44/415026744.db2.gz YQKNCLQXRFDOME-UTLUCORTSA-N 2 2 265.361 0.877 20 0 CCADLP CCCNC(=O)[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000663304845 415040328 /nfs/dbraw/zinc/04/03/28/415040328.db2.gz TVBPOQUNCSWYRW-OCCSQVGLSA-N 2 2 283.416 0.744 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC[C@H](C)[NH+](C)C ZINC000663640019 415100887 /nfs/dbraw/zinc/10/08/87/415100887.db2.gz ZTPOJFFHDHDEAI-STQMWFEESA-N 2 2 286.420 0.347 20 0 CCADLP Cc1nnc2c(NCC[N@@H+](C)CCC[NH+](C)C)nccn12 ZINC000664247954 415300314 /nfs/dbraw/zinc/30/03/14/415300314.db2.gz KUJOHLWUMUZZQE-UHFFFAOYSA-N 2 2 291.403 0.728 20 0 CCADLP Cc1nnc2c(NCC[N@H+](C)CCC[NH+](C)C)nccn12 ZINC000664247954 415300318 /nfs/dbraw/zinc/30/03/18/415300318.db2.gz KUJOHLWUMUZZQE-UHFFFAOYSA-N 2 2 291.403 0.728 20 0 CCADLP C[C@@H]1CC[C@H]1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664891464 415484651 /nfs/dbraw/zinc/48/46/51/415484651.db2.gz NFQQNFBEWFWOCI-CHWSQXEVSA-N 2 2 270.421 0.968 20 0 CCADLP C[C@@H]1CC[C@H]1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664891464 415484657 /nfs/dbraw/zinc/48/46/57/415484657.db2.gz NFQQNFBEWFWOCI-CHWSQXEVSA-N 2 2 270.421 0.968 20 0 CCADLP CO[C@H](C)[C@@H](C)NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664926699 415488991 /nfs/dbraw/zinc/48/89/91/415488991.db2.gz FDUUHSDERWCTAF-CHWSQXEVSA-N 2 2 288.436 0.593 20 0 CCADLP CO[C@H](C)[C@@H](C)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664926699 415488995 /nfs/dbraw/zinc/48/89/95/415488995.db2.gz FDUUHSDERWCTAF-CHWSQXEVSA-N 2 2 288.436 0.593 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NCCOCC[NH+](C)C ZINC000664731810 415461792 /nfs/dbraw/zinc/46/17/92/415461792.db2.gz KUBCKAHUEYFHLB-UHFFFAOYSA-N 2 2 269.349 0.129 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)NCCOCC[NH+](C)C ZINC000664731810 415461796 /nfs/dbraw/zinc/46/17/96/415461796.db2.gz KUBCKAHUEYFHLB-UHFFFAOYSA-N 2 2 269.349 0.129 20 0 CCADLP FC1(F)C[C@@H]1OCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000665244323 415575941 /nfs/dbraw/zinc/57/59/41/415575941.db2.gz KWJMXOXOPHMJEF-SDDRHHMPSA-N 2 2 276.327 0.767 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000665189540 415561151 /nfs/dbraw/zinc/56/11/51/415561151.db2.gz MPFMCMHLVLXLTR-BTTYYORXSA-N 2 2 282.432 0.968 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000665189540 415561156 /nfs/dbraw/zinc/56/11/56/415561156.db2.gz MPFMCMHLVLXLTR-BTTYYORXSA-N 2 2 282.432 0.968 20 0 CCADLP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000665358374 415622043 /nfs/dbraw/zinc/62/20/43/415622043.db2.gz DZAMGKIHIOIHBI-SNVBAGLBSA-N 2 2 264.373 0.971 20 0 CCADLP C[NH+](C)C(C)(C)CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000665358374 415622050 /nfs/dbraw/zinc/62/20/50/415622050.db2.gz DZAMGKIHIOIHBI-SNVBAGLBSA-N 2 2 264.373 0.971 20 0 CCADLP CCn1nccc1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000665299276 415589499 /nfs/dbraw/zinc/58/94/99/415589499.db2.gz JUTBBLMADWRGLA-KBPBESRZSA-N 2 2 264.373 0.760 20 0 CCADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])n1 ZINC000665294569 415590379 /nfs/dbraw/zinc/59/03/79/415590379.db2.gz RDOPSMGHNVYHEA-QWRGUYRKSA-N 3 2 265.361 0.391 20 0 CCADLP O=C(Cc1cn2ccccc2[nH+]1)N1CCC[NH2+]CC1 ZINC000071552348 176196320 /nfs/dbraw/zinc/19/63/20/176196320.db2.gz AFQCMIVZUIIQSG-UHFFFAOYSA-N 2 2 258.325 0.699 20 0 CCADLP CC(C)([NH3+])CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000084184012 544490485 /nfs/dbraw/zinc/49/04/85/544490485.db2.gz SHIOFBJHJRJNPT-UHFFFAOYSA-N 2 2 257.378 0.341 20 0 CCADLP Cc1cc(CO)cc(NCC[N@@H+]2CC[C@@H](O)C2)[nH+]1 ZINC000624682554 419420103 /nfs/dbraw/zinc/42/01/03/419420103.db2.gz VOTPHOBUTXQQCO-GFCCVEGCSA-N 2 2 251.330 0.361 20 0 CCADLP Cc1cc(CO)cc(NCC[N@H+]2CC[C@@H](O)C2)[nH+]1 ZINC000624682554 419420111 /nfs/dbraw/zinc/42/01/11/419420111.db2.gz VOTPHOBUTXQQCO-GFCCVEGCSA-N 2 2 251.330 0.361 20 0 CCADLP C[C@@H]1CN(C[C@H](O)C[N@H+](C)C[C@@H]2CC[NH+](C)C2)C[C@@H](C)O1 ZINC000121042892 544574211 /nfs/dbraw/zinc/57/42/11/544574211.db2.gz UQSZMGRLDZUQLS-KLHDSHLOSA-N 2 2 299.459 0.340 20 0 CCADLP C[C@@H]1CN(C[C@H](O)C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)C[C@@H](C)O1 ZINC000121042892 544574222 /nfs/dbraw/zinc/57/42/22/544574222.db2.gz UQSZMGRLDZUQLS-KLHDSHLOSA-N 2 2 299.459 0.340 20 0 CCADLP C[C@@H]1CN(C[C@H](O)C[NH+](C)C[C@@H]2CC[N@H+](C)C2)C[C@@H](C)O1 ZINC000121042892 544574227 /nfs/dbraw/zinc/57/42/27/544574227.db2.gz UQSZMGRLDZUQLS-KLHDSHLOSA-N 2 2 299.459 0.340 20 0 CCADLP C[C@@H]1CN(C[C@H](O)C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)C[C@@H](C)O1 ZINC000121042892 544574232 /nfs/dbraw/zinc/57/42/32/544574232.db2.gz UQSZMGRLDZUQLS-KLHDSHLOSA-N 2 2 299.459 0.340 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN(C)C[C@@H]2CC[N@H+](C)C2)C[C@@H](C)O1 ZINC000121042892 544574238 /nfs/dbraw/zinc/57/42/38/544574238.db2.gz UQSZMGRLDZUQLS-KLHDSHLOSA-N 2 2 299.459 0.340 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN(C)C[C@@H]2CC[N@@H+](C)C2)C[C@@H](C)O1 ZINC000121042892 544574245 /nfs/dbraw/zinc/57/42/45/544574245.db2.gz UQSZMGRLDZUQLS-KLHDSHLOSA-N 2 2 299.459 0.340 20 0 CCADLP NC(=O)c1ccc(C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000171917904 335084820 /nfs/dbraw/zinc/08/48/20/335084820.db2.gz IKOSBJUPKLLAEG-UHFFFAOYSA-N 2 2 299.378 0.826 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000167684775 544727534 /nfs/dbraw/zinc/72/75/34/544727534.db2.gz ZFLSUOGIVXOIMV-XQQFMLRXSA-N 2 2 271.405 0.585 20 0 CCADLP CC[N@H+](CCNC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC000276401754 544953688 /nfs/dbraw/zinc/95/36/88/544953688.db2.gz HLZFZYCOHFJBNH-UHFFFAOYSA-N 2 2 250.346 0.943 20 0 CCADLP CC[N@@H+](CCNC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC000276401754 544953694 /nfs/dbraw/zinc/95/36/94/544953694.db2.gz HLZFZYCOHFJBNH-UHFFFAOYSA-N 2 2 250.346 0.943 20 0 CCADLP CC[N@H+](CCNC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC000276401754 544953699 /nfs/dbraw/zinc/95/36/99/544953699.db2.gz HLZFZYCOHFJBNH-UHFFFAOYSA-N 2 2 250.346 0.943 20 0 CCADLP CC[N@@H+](CCNC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC000276401754 544953703 /nfs/dbraw/zinc/95/37/03/544953703.db2.gz HLZFZYCOHFJBNH-UHFFFAOYSA-N 2 2 250.346 0.943 20 0 CCADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)CCO1 ZINC000249062770 544917213 /nfs/dbraw/zinc/91/72/13/544917213.db2.gz RLUNYGRWIAVHJA-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)CCO1 ZINC000249062770 544917216 /nfs/dbraw/zinc/91/72/16/544917216.db2.gz RLUNYGRWIAVHJA-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CNC(=O)[C@H](CC(C)C)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000252952281 544932378 /nfs/dbraw/zinc/93/23/78/544932378.db2.gz FQRFDRZZVGVZOK-AGIUHOORSA-N 2 2 271.405 0.504 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CCCCS1(=O)=O ZINC000333315483 287629068 /nfs/dbraw/zinc/62/90/68/287629068.db2.gz SRJHKOASBQJKKL-GRYCIOLGSA-N 2 2 260.403 0.541 20 0 CCADLP O=C(NCC[NH+]1CCOCC1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000332696641 545031923 /nfs/dbraw/zinc/03/19/23/545031923.db2.gz YYHFWFANROMQKA-KBPBESRZSA-N 2 2 296.415 0.245 20 0 CCADLP O=C(NCC[NH+]1CCOCC1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000332696641 545031925 /nfs/dbraw/zinc/03/19/25/545031925.db2.gz YYHFWFANROMQKA-KBPBESRZSA-N 2 2 296.415 0.245 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000518995759 265285055 /nfs/dbraw/zinc/28/50/55/265285055.db2.gz IFNIZHFISWATOR-NEPJUHHUSA-N 2 2 298.349 0.934 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000518995759 265285056 /nfs/dbraw/zinc/28/50/56/265285056.db2.gz IFNIZHFISWATOR-NEPJUHHUSA-N 2 2 298.349 0.934 20 0 CCADLP CCCCNC(=O)C1CC[NH+](C[C@@H](O)C[N@H+](C)CC)CC1 ZINC000519068077 265309108 /nfs/dbraw/zinc/30/91/08/265309108.db2.gz LAJQFSQYEAISCE-HNNXBMFYSA-N 2 2 299.459 0.927 20 0 CCADLP CCCCNC(=O)C1CC[NH+](C[C@@H](O)C[N@@H+](C)CC)CC1 ZINC000519068077 265309114 /nfs/dbraw/zinc/30/91/14/265309114.db2.gz LAJQFSQYEAISCE-HNNXBMFYSA-N 2 2 299.459 0.927 20 0 CCADLP Cc1cc(NC(=O)C[NH2+][C@@H](C[NH3+])C2CCCCC2)no1 ZINC000420364567 274673409 /nfs/dbraw/zinc/67/34/09/274673409.db2.gz RFDAVAJHGCSVPM-LBPRGKRZSA-N 2 2 280.372 0.841 20 0 CCADLP CCCc1cc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])n(C)n1 ZINC000516425497 276055405 /nfs/dbraw/zinc/05/54/05/276055405.db2.gz KXPIQBJKZXDLKI-GFCCVEGCSA-N 2 2 294.403 0.479 20 0 CCADLP CCCc1cc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])n(C)n1 ZINC000516425497 276055406 /nfs/dbraw/zinc/05/54/06/276055406.db2.gz KXPIQBJKZXDLKI-GFCCVEGCSA-N 2 2 294.403 0.479 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC[C@H](C)[NH3+] ZINC000422792522 276235538 /nfs/dbraw/zinc/23/55/38/276235538.db2.gz ZIYMLCASXCQKDW-RYUDHWBXSA-N 2 2 257.378 0.341 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC[C@H](C)[NH3+] ZINC000422792522 276235540 /nfs/dbraw/zinc/23/55/40/276235540.db2.gz ZIYMLCASXCQKDW-RYUDHWBXSA-N 2 2 257.378 0.341 20 0 CCADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC000174943942 276248350 /nfs/dbraw/zinc/24/83/50/276248350.db2.gz VTLSFGPPSNULLA-CHWSQXEVSA-N 2 2 253.390 0.881 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCN(C)C2=O)C1 ZINC000174943942 276248352 /nfs/dbraw/zinc/24/83/52/276248352.db2.gz VTLSFGPPSNULLA-CHWSQXEVSA-N 2 2 253.390 0.881 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000174943942 276248353 /nfs/dbraw/zinc/24/83/53/276248353.db2.gz VTLSFGPPSNULLA-CHWSQXEVSA-N 2 2 253.390 0.881 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000174943942 276248355 /nfs/dbraw/zinc/24/83/55/276248355.db2.gz VTLSFGPPSNULLA-CHWSQXEVSA-N 2 2 253.390 0.881 20 0 CCADLP CC[N@H+](CCNC(=O)NC[C@@H]1CN(C)CC[NH+]1C)C1CC1 ZINC000348382931 276346904 /nfs/dbraw/zinc/34/69/04/276346904.db2.gz HZFWEIQQAJBSCY-CQSZACIVSA-N 2 2 297.447 0.016 20 0 CCADLP CC[N@@H+](CCNC(=O)NC[C@@H]1CN(C)CC[NH+]1C)C1CC1 ZINC000348382931 276346905 /nfs/dbraw/zinc/34/69/05/276346905.db2.gz HZFWEIQQAJBSCY-CQSZACIVSA-N 2 2 297.447 0.016 20 0 CCADLP CC[NH+](CCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C)C1CC1 ZINC000348382931 276346907 /nfs/dbraw/zinc/34/69/07/276346907.db2.gz HZFWEIQQAJBSCY-CQSZACIVSA-N 2 2 297.447 0.016 20 0 CCADLP CC[NH+](CCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C)C1CC1 ZINC000348382931 276346908 /nfs/dbraw/zinc/34/69/08/276346908.db2.gz HZFWEIQQAJBSCY-CQSZACIVSA-N 2 2 297.447 0.016 20 0 CCADLP CCN1CC[NH+](CCC(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000352011667 276383683 /nfs/dbraw/zinc/38/36/83/276383683.db2.gz CFNIYTJIRPXTDE-CABCVRRESA-N 2 2 296.459 0.565 20 0 CCADLP CCN1CC[NH+](CCC(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000352011667 276383685 /nfs/dbraw/zinc/38/36/85/276383685.db2.gz CFNIYTJIRPXTDE-CABCVRRESA-N 2 2 296.459 0.565 20 0 CCADLP C([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)[C@H]1C[NH2+]CCO1 ZINC000423541200 276815874 /nfs/dbraw/zinc/81/58/74/276815874.db2.gz AMDBTICOFQFERE-FDYHWXHSSA-N 2 2 252.358 0.522 20 0 CCADLP C[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000332886569 277080458 /nfs/dbraw/zinc/08/04/58/277080458.db2.gz LANWGNXKSSDDRO-MNOVXSKESA-N 2 2 277.372 0.660 20 0 CCADLP C[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000332886569 277080459 /nfs/dbraw/zinc/08/04/59/277080459.db2.gz LANWGNXKSSDDRO-MNOVXSKESA-N 2 2 277.372 0.660 20 0 CCADLP C[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000332886569 277080460 /nfs/dbraw/zinc/08/04/60/277080460.db2.gz LANWGNXKSSDDRO-MNOVXSKESA-N 2 2 277.372 0.660 20 0 CCADLP C[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000332886569 277080461 /nfs/dbraw/zinc/08/04/61/277080461.db2.gz LANWGNXKSSDDRO-MNOVXSKESA-N 2 2 277.372 0.660 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCSC[C@@H]2C2CC2)CC1 ZINC000336307486 277090203 /nfs/dbraw/zinc/09/02/03/277090203.db2.gz KHHYDOWWDUMYMA-CYBMUJFWSA-N 2 2 283.441 0.588 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCSC[C@@H]2C2CC2)CC1 ZINC000336307486 277090204 /nfs/dbraw/zinc/09/02/04/277090204.db2.gz KHHYDOWWDUMYMA-CYBMUJFWSA-N 2 2 283.441 0.588 20 0 CCADLP COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1CCCn1cc[nH+]c1C ZINC000276527346 277138352 /nfs/dbraw/zinc/13/83/52/277138352.db2.gz COOLKGPBHJCYBM-VXGBXAGGSA-N 2 2 267.329 0.190 20 0 CCADLP COC(=O)[C@H]1C[C@@H](O)C[N@H+]1CCCn1cc[nH+]c1C ZINC000276527346 277138353 /nfs/dbraw/zinc/13/83/53/277138353.db2.gz COOLKGPBHJCYBM-VXGBXAGGSA-N 2 2 267.329 0.190 20 0 CCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC000352807903 277142508 /nfs/dbraw/zinc/14/25/08/277142508.db2.gz XJPYCINNDQWCRV-UMVBOHGHSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC000352807903 277142511 /nfs/dbraw/zinc/14/25/11/277142511.db2.gz XJPYCINNDQWCRV-UMVBOHGHSA-N 2 2 288.395 0.998 20 0 CCADLP COC1(C(=O)NCc2ccc(N(C)C)[nH+]c2)CC[NH2+]CC1 ZINC000430747887 277180093 /nfs/dbraw/zinc/18/00/93/277180093.db2.gz BBENPVRWKKXODE-UHFFFAOYSA-N 2 2 292.383 0.532 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](OC(C)C)C1 ZINC000516084686 277213799 /nfs/dbraw/zinc/21/37/99/277213799.db2.gz BFGQPTNIOPUVRK-UONOGXRCSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](OC(C)C)C1 ZINC000516084686 277213800 /nfs/dbraw/zinc/21/38/00/277213800.db2.gz BFGQPTNIOPUVRK-UONOGXRCSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000516084686 277213801 /nfs/dbraw/zinc/21/38/01/277213801.db2.gz BFGQPTNIOPUVRK-UONOGXRCSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000516084686 277213803 /nfs/dbraw/zinc/21/38/03/277213803.db2.gz BFGQPTNIOPUVRK-UONOGXRCSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](CCOC)C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000353027179 277216661 /nfs/dbraw/zinc/21/66/61/277216661.db2.gz MHYKIGFKQUDGLG-OAHLLOKOSA-N 2 2 286.416 0.835 20 0 CCADLP CNC(=O)CC[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000343921923 277226881 /nfs/dbraw/zinc/22/68/81/277226881.db2.gz IVPSJZDYJZZIIM-UONOGXRCSA-N 2 2 282.432 0.080 20 0 CCADLP CNC(=O)CC[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000343921923 277226882 /nfs/dbraw/zinc/22/68/82/277226882.db2.gz IVPSJZDYJZZIIM-UONOGXRCSA-N 2 2 282.432 0.080 20 0 CCADLP CO[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)CC[C@H]1C ZINC000336786890 277299375 /nfs/dbraw/zinc/29/93/75/277299375.db2.gz CYGNTLAKXVTVQU-KWCYVHTRSA-N 2 2 256.390 0.798 20 0 CCADLP CO[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)CC[C@H]1C ZINC000336786890 277299377 /nfs/dbraw/zinc/29/93/77/277299377.db2.gz CYGNTLAKXVTVQU-KWCYVHTRSA-N 2 2 256.390 0.798 20 0 CCADLP CO[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC[C@H]1C ZINC000336786890 277299378 /nfs/dbraw/zinc/29/93/78/277299378.db2.gz CYGNTLAKXVTVQU-KWCYVHTRSA-N 2 2 256.390 0.798 20 0 CCADLP CO[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC[C@H]1C ZINC000336786890 277299380 /nfs/dbraw/zinc/29/93/80/277299380.db2.gz CYGNTLAKXVTVQU-KWCYVHTRSA-N 2 2 256.390 0.798 20 0 CCADLP C[C@@H]([NH3+])CCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000422789024 277597998 /nfs/dbraw/zinc/59/79/98/277597998.db2.gz SVJTZLYFCRGMQY-SNVBAGLBSA-N 2 2 259.313 0.734 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@]2(C)CCCC[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000248400738 287986782 /nfs/dbraw/zinc/98/67/82/287986782.db2.gz LCWLAKVHYABLRV-IIAWOOMASA-N 2 2 295.427 0.698 20 0 CCADLP CC(C)[C@H](C(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C)[NH+](C)C ZINC000342254934 277865252 /nfs/dbraw/zinc/86/52/52/277865252.db2.gz TVICTGBMRKQVBQ-RBSFLKMASA-N 2 2 297.443 0.894 20 0 CCADLP COc1ccccc1N1CC[C@@H]([N@H+](C)C[C@@H](O)C[NH3+])C1=O ZINC000420349208 278052937 /nfs/dbraw/zinc/05/29/37/278052937.db2.gz CBXALPYSQPJBCG-WCQYABFASA-N 2 2 293.367 0.052 20 0 CCADLP COc1ccccc1N1CC[C@@H]([N@@H+](C)C[C@@H](O)C[NH3+])C1=O ZINC000420349208 278052939 /nfs/dbraw/zinc/05/29/39/278052939.db2.gz CBXALPYSQPJBCG-WCQYABFASA-N 2 2 293.367 0.052 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351501338 278158222 /nfs/dbraw/zinc/15/82/22/278158222.db2.gz XUHDBHSHSIXLGY-NOOOWODRSA-N 2 2 275.356 0.473 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351501338 278158225 /nfs/dbraw/zinc/15/82/25/278158225.db2.gz XUHDBHSHSIXLGY-NOOOWODRSA-N 2 2 275.356 0.473 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000081900496 278292967 /nfs/dbraw/zinc/29/29/67/278292967.db2.gz KVKPTOSWCIHKHW-QWRGUYRKSA-N 2 2 260.403 0.493 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000081900496 278292970 /nfs/dbraw/zinc/29/29/70/278292970.db2.gz KVKPTOSWCIHKHW-QWRGUYRKSA-N 2 2 260.403 0.493 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCO1 ZINC000333703881 278332722 /nfs/dbraw/zinc/33/27/22/278332722.db2.gz DSEDOJCQJUXNQM-OLZOCXBDSA-N 2 2 296.415 0.101 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCO1 ZINC000333703881 278332724 /nfs/dbraw/zinc/33/27/24/278332724.db2.gz DSEDOJCQJUXNQM-OLZOCXBDSA-N 2 2 296.415 0.101 20 0 CCADLP CC[C@H]([NH2+]CC(=O)NCC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000422944934 288036456 /nfs/dbraw/zinc/03/64/56/288036456.db2.gz MHDDTQKOAHQGNS-IUCAKERBSA-N 2 2 267.295 0.785 20 0 CCADLP CC(C)(CNC(=O)[C@H]1[NH2+]CCCC1(C)C)[NH+]1CCOCC1 ZINC000232805809 278620063 /nfs/dbraw/zinc/62/00/63/278620063.db2.gz HDVHJZQSYNTPGA-CYBMUJFWSA-N 2 2 297.443 0.992 20 0 CCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000356847986 279081296 /nfs/dbraw/zinc/08/12/96/279081296.db2.gz KFKRXWSLIFDTDR-JHJVBQTASA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000356847986 279081299 /nfs/dbraw/zinc/08/12/99/279081299.db2.gz KFKRXWSLIFDTDR-JHJVBQTASA-N 2 2 276.384 0.997 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000104598528 279090463 /nfs/dbraw/zinc/09/04/63/279090463.db2.gz SDVNMYQCRASZRE-STQMWFEESA-N 2 2 271.405 0.554 20 0 CCADLP CC[NH+](CC)CCCNC(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000358831947 279098947 /nfs/dbraw/zinc/09/89/47/279098947.db2.gz MKDQSDVCAMPSPC-AWEZNQCLSA-N 2 2 284.448 0.470 20 0 CCADLP C[C@@]1(C[NH+]2CCN(c3nc(N)ns3)CC2)CC[NH2+]C1 ZINC000261924637 279159306 /nfs/dbraw/zinc/15/93/06/279159306.db2.gz CAJRZAGWOOZZEO-GFCCVEGCSA-N 2 2 282.417 0.242 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420388211 279238590 /nfs/dbraw/zinc/23/85/90/279238590.db2.gz WZAKDGANFQFWAK-UTUOFQBUSA-N 2 2 277.372 0.720 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420388211 279238591 /nfs/dbraw/zinc/23/85/91/279238591.db2.gz WZAKDGANFQFWAK-UTUOFQBUSA-N 2 2 277.372 0.720 20 0 CCADLP CC[NH+]1CCC([NH2+][C@@H]2CCS(=O)(=O)[C@@H]2C)CC1 ZINC000353935505 279262627 /nfs/dbraw/zinc/26/26/27/279262627.db2.gz WUQOQWDEVPRNTL-ZYHUDNBSSA-N 2 2 260.403 0.636 20 0 CCADLP CC[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246533982 280089716 /nfs/dbraw/zinc/08/97/16/280089716.db2.gz AXEGERUNBLTIIK-STQMWFEESA-N 2 2 269.389 0.295 20 0 CCADLP CC[C@@H](C(N)=O)[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246533982 280089719 /nfs/dbraw/zinc/08/97/19/280089719.db2.gz AXEGERUNBLTIIK-STQMWFEESA-N 2 2 269.389 0.295 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)[NH+](C)C ZINC000114858046 280175127 /nfs/dbraw/zinc/17/51/27/280175127.db2.gz MBLLMBIXUFAYJD-UONOGXRCSA-N 2 2 283.416 0.552 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)[NH+](C)C ZINC000114858046 280175131 /nfs/dbraw/zinc/17/51/31/280175131.db2.gz MBLLMBIXUFAYJD-UONOGXRCSA-N 2 2 283.416 0.552 20 0 CCADLP CC[C@@H]([NH2+][C@@H](CC)CNS(C)(=O)=O)[C@@H]1CCC[NH2+]1 ZINC000423157331 280193044 /nfs/dbraw/zinc/19/30/44/280193044.db2.gz MOXRTOJTAXTXSO-TUAOUCFPSA-N 2 2 277.434 0.434 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000261923283 282070667 /nfs/dbraw/zinc/07/06/67/282070667.db2.gz ZUXHKVNYWBLRPB-UHFFFAOYSA-N 2 2 285.432 0.979 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000261923283 282070671 /nfs/dbraw/zinc/07/06/71/282070671.db2.gz ZUXHKVNYWBLRPB-UHFFFAOYSA-N 2 2 285.432 0.979 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000358521851 289516462 /nfs/dbraw/zinc/51/64/62/289516462.db2.gz PQABREWJAHAUMP-RDBSUJKOSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)CN1CC[NH+](C)CC1 ZINC000422709738 289689076 /nfs/dbraw/zinc/68/90/76/289689076.db2.gz DVWXFBTZWCNDTA-PMPSAXMXSA-N 3 2 282.476 0.990 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000360098475 290100520 /nfs/dbraw/zinc/10/05/20/290100520.db2.gz OZZUPLMITFKWTD-KGLIPLIRSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000360098475 290100524 /nfs/dbraw/zinc/10/05/24/290100524.db2.gz OZZUPLMITFKWTD-KGLIPLIRSA-N 2 2 281.400 0.404 20 0 CCADLP C[C@H](c1ccncc1)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093226596 290274386 /nfs/dbraw/zinc/27/43/86/290274386.db2.gz MQJJEZMEOVDZPB-CYBMUJFWSA-N 2 2 276.384 0.848 20 0 CCADLP C[C@H](c1ccncc1)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093226596 290274389 /nfs/dbraw/zinc/27/43/89/290274389.db2.gz MQJJEZMEOVDZPB-CYBMUJFWSA-N 2 2 276.384 0.848 20 0 CCADLP CNC(=O)C[C@@H](C)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000341979669 290442875 /nfs/dbraw/zinc/44/28/75/290442875.db2.gz PNCRNTZZYLLDRD-LLVKDONJSA-N 2 2 257.378 0.211 20 0 CCADLP COC[C@H]([NH3+])C(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000367649468 293116408 /nfs/dbraw/zinc/11/64/08/293116408.db2.gz TWTIMOAOCFAKRC-LBPRGKRZSA-N 2 2 263.341 0.439 20 0 CCADLP COC[C@H]([NH3+])C(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000367649468 293116412 /nfs/dbraw/zinc/11/64/12/293116412.db2.gz TWTIMOAOCFAKRC-LBPRGKRZSA-N 2 2 263.341 0.439 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)C(C)(C)O ZINC000382972360 336100529 /nfs/dbraw/zinc/10/05/29/336100529.db2.gz RARSCILTNGBUON-VXGBXAGGSA-N 2 2 262.394 0.017 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)C(C)(C)O ZINC000382972360 336100530 /nfs/dbraw/zinc/10/05/30/336100530.db2.gz RARSCILTNGBUON-VXGBXAGGSA-N 2 2 262.394 0.017 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)C(C)(C)O ZINC000382972360 336100532 /nfs/dbraw/zinc/10/05/32/336100532.db2.gz RARSCILTNGBUON-VXGBXAGGSA-N 2 2 262.394 0.017 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)C(C)(C)O ZINC000382972360 336100533 /nfs/dbraw/zinc/10/05/33/336100533.db2.gz RARSCILTNGBUON-VXGBXAGGSA-N 2 2 262.394 0.017 20 0 CCADLP NC(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357078030 295143618 /nfs/dbraw/zinc/14/36/18/295143618.db2.gz KCIZXCZPLMOEQD-RDBSUJKOSA-N 2 2 259.353 0.754 20 0 CCADLP NC(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357078030 295143615 /nfs/dbraw/zinc/14/36/15/295143615.db2.gz KCIZXCZPLMOEQD-RDBSUJKOSA-N 2 2 259.353 0.754 20 0 CCADLP CSCC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)C(=O)N(C)C ZINC000423133752 295606634 /nfs/dbraw/zinc/60/66/34/295606634.db2.gz WGBWQEUYUORGHF-WOPDTQHZSA-N 2 2 273.446 0.926 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCCC[C@@H]1CO ZINC000388741042 545086383 /nfs/dbraw/zinc/08/63/83/545086383.db2.gz JKYUPUYWXYOVFM-KGLIPLIRSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCCC[C@@H]1CO ZINC000388741042 545086384 /nfs/dbraw/zinc/08/63/84/545086384.db2.gz JKYUPUYWXYOVFM-KGLIPLIRSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCCC[C@@H]1CO ZINC000388741042 545086385 /nfs/dbraw/zinc/08/63/85/545086385.db2.gz JKYUPUYWXYOVFM-KGLIPLIRSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCCC[C@@H]1CO ZINC000388741042 545086386 /nfs/dbraw/zinc/08/63/86/545086386.db2.gz JKYUPUYWXYOVFM-KGLIPLIRSA-N 2 2 274.405 0.162 20 0 CCADLP C[C@H]1CN(C(=O)C2CC[NH2+]CC2)C[C@H]1[NH+]1CCOCC1 ZINC000353701441 300119951 /nfs/dbraw/zinc/11/99/51/300119951.db2.gz MMILKXVLXPPQSL-GXTWGEPZSA-N 2 2 281.400 0.165 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000420792649 300346035 /nfs/dbraw/zinc/34/60/35/300346035.db2.gz BAENKCAYGHJHAP-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N(C)C[C@@H]1CCC[NH+]1C ZINC000420792649 300346042 /nfs/dbraw/zinc/34/60/42/300346042.db2.gz BAENKCAYGHJHAP-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000420792649 300346044 /nfs/dbraw/zinc/34/60/44/300346044.db2.gz BAENKCAYGHJHAP-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000420792649 300346047 /nfs/dbraw/zinc/34/60/47/300346047.db2.gz BAENKCAYGHJHAP-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP [NH3+]CC12CCC(CC1)C[N@@H+]2CC(=O)N1CCCC1 ZINC000515671841 303370679 /nfs/dbraw/zinc/37/06/79/303370679.db2.gz ZRTXRAANSUTIJM-UHFFFAOYSA-N 2 2 251.374 0.812 20 0 CCADLP [NH3+]CC12CCC(CC1)C[N@H+]2CC(=O)N1CCCC1 ZINC000515671841 303370681 /nfs/dbraw/zinc/37/06/81/303370681.db2.gz ZRTXRAANSUTIJM-UHFFFAOYSA-N 2 2 251.374 0.812 20 0 CCADLP CCn1cc(C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)nn1 ZINC000404412178 545091209 /nfs/dbraw/zinc/09/12/09/545091209.db2.gz KAXHOPUXISFHOV-WDEREUQCSA-N 2 2 253.350 0.155 20 0 CCADLP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[NH+](CCO)CC1 ZINC000387597889 327784063 /nfs/dbraw/zinc/78/40/63/327784063.db2.gz VEQLXQBAROKYJO-GFCCVEGCSA-N 2 2 271.405 0.147 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000583383584 327336113 /nfs/dbraw/zinc/33/61/13/327336113.db2.gz LKSBASLCWZUMFN-STQMWFEESA-N 2 2 283.416 0.602 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000583383584 327336115 /nfs/dbraw/zinc/33/61/15/327336115.db2.gz LKSBASLCWZUMFN-STQMWFEESA-N 2 2 283.416 0.602 20 0 CCADLP CC[C@H](C)[C@@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])OC ZINC000578864993 327352208 /nfs/dbraw/zinc/35/22/08/327352208.db2.gz JSCRFFROJACBEC-YNEHKIRRSA-N 2 2 286.420 0.332 20 0 CCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C[NH+]1CC(C)(C)C1 ZINC000582615625 329118294 /nfs/dbraw/zinc/11/82/94/329118294.db2.gz BWAZGGUXGCFANI-LBPRGKRZSA-N 2 2 253.390 0.881 20 0 CCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C[NH+]1CC(C)(C)C1 ZINC000582615625 329118296 /nfs/dbraw/zinc/11/82/96/329118296.db2.gz BWAZGGUXGCFANI-LBPRGKRZSA-N 2 2 253.390 0.881 20 0 CCADLP COC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)[NH2+]C2CC2)C1 ZINC000583141965 329321270 /nfs/dbraw/zinc/32/12/70/329321270.db2.gz VMIQQUDJJKFVDX-NWDGAFQWSA-N 2 2 297.399 0.128 20 0 CCADLP COC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H](C)[NH2+]C2CC2)C1 ZINC000583141965 329321271 /nfs/dbraw/zinc/32/12/71/329321271.db2.gz VMIQQUDJJKFVDX-NWDGAFQWSA-N 2 2 297.399 0.128 20 0 CCADLP C[NH+](C)C1CCC(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1 ZINC000583138293 329325398 /nfs/dbraw/zinc/32/53/98/329325398.db2.gz RPKMOKKKOYQVNI-JXQTWKCFSA-N 3 2 297.447 0.144 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000575742195 335110853 /nfs/dbraw/zinc/11/08/53/335110853.db2.gz SNQPVZVRQXOXLC-SYQHCUMBSA-N 2 2 281.400 0.496 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCn2cc(Cl)cn2)[C@H](C[NH3+])C1 ZINC000576038024 335144167 /nfs/dbraw/zinc/14/41/67/335144167.db2.gz QBFUFRVTWHJOHT-LLVKDONJSA-N 2 2 285.779 0.028 20 0 CCADLP C[N@H+]1CCN(C(=O)CCn2cc(Cl)cn2)[C@H](C[NH3+])C1 ZINC000576038024 335144168 /nfs/dbraw/zinc/14/41/68/335144168.db2.gz QBFUFRVTWHJOHT-LLVKDONJSA-N 2 2 285.779 0.028 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCc2cn[nH]c2)C[C@H](C)O1 ZINC000576272000 335180412 /nfs/dbraw/zinc/18/04/12/335180412.db2.gz NUVHPSSTHPULKZ-SCRDCRAPSA-N 2 2 282.388 0.012 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCc2cn[nH]c2)C[C@H](C)O1 ZINC000576272000 335180413 /nfs/dbraw/zinc/18/04/13/335180413.db2.gz NUVHPSSTHPULKZ-SCRDCRAPSA-N 2 2 282.388 0.012 20 0 CCADLP C[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)[C@H]1CCC[NH2+]1 ZINC000565592949 334577115 /nfs/dbraw/zinc/57/71/15/334577115.db2.gz ZPNYNXBLSLSODV-GHMZBOCLSA-N 2 2 277.434 0.434 20 0 CCADLP COC[C@@]1(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC[NH2+]C1 ZINC000566161132 334629831 /nfs/dbraw/zinc/62/98/31/334629831.db2.gz IZDKYZPDPSYOSR-SWLSCSKDSA-N 2 2 292.383 0.742 20 0 CCADLP O=C(NC[C@@H]1C[NH2+]CCO1)Nc1ccn2cc[nH+]c2c1 ZINC000572851849 334884348 /nfs/dbraw/zinc/88/43/48/334884348.db2.gz VXKHGCMQXQZVCP-NSHDSACASA-N 2 2 275.312 0.444 20 0 CCADLP CS(=O)(=O)CC1(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000576346329 335191986 /nfs/dbraw/zinc/19/19/86/335191986.db2.gz MSWCOEGGDKYGCC-VXGBXAGGSA-N 2 2 272.414 0.495 20 0 CCADLP CS(=O)(=O)CC1(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000576346329 335191988 /nfs/dbraw/zinc/19/19/88/335191988.db2.gz MSWCOEGGDKYGCC-VXGBXAGGSA-N 2 2 272.414 0.495 20 0 CCADLP O=C(C[C@H]1CCC[NH2+]C1)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000576647499 335230853 /nfs/dbraw/zinc/23/08/53/335230853.db2.gz FKOLTOZQGZDSFE-MNOVXSKESA-N 2 2 275.343 0.737 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCC[C@H]2CCCCO2)[C@@H](C[NH3+])C1 ZINC000576729994 335241004 /nfs/dbraw/zinc/24/10/04/335241004.db2.gz RWYJGKPAYMISNS-UONOGXRCSA-N 2 2 298.431 0.620 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCC[C@H]2CCCCO2)[C@@H](C[NH3+])C1 ZINC000576729994 335241005 /nfs/dbraw/zinc/24/10/05/335241005.db2.gz RWYJGKPAYMISNS-UONOGXRCSA-N 2 2 298.431 0.620 20 0 CCADLP CCOCC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000577621804 335380137 /nfs/dbraw/zinc/38/01/37/335380137.db2.gz FBJHTLLQOVURTC-BZPMIXESSA-N 2 2 256.390 0.989 20 0 CCADLP CCOCC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000577621804 335380139 /nfs/dbraw/zinc/38/01/39/335380139.db2.gz FBJHTLLQOVURTC-BZPMIXESSA-N 2 2 256.390 0.989 20 0 CCADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC000577624163 335380780 /nfs/dbraw/zinc/38/07/80/335380780.db2.gz QLQAOLUIZNMVIT-WCQYABFASA-N 2 2 262.357 0.895 20 0 CCADLP C[N@@H+]1C[C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC000577624163 335380783 /nfs/dbraw/zinc/38/07/83/335380783.db2.gz QLQAOLUIZNMVIT-WCQYABFASA-N 2 2 262.357 0.895 20 0 CCADLP C[N@H+]1C[C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC000577624163 335380784 /nfs/dbraw/zinc/38/07/84/335380784.db2.gz QLQAOLUIZNMVIT-WCQYABFASA-N 2 2 262.357 0.895 20 0 CCADLP C[C@H]1C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000577634099 335383379 /nfs/dbraw/zinc/38/33/79/335383379.db2.gz BVJBJHLZHKRCLM-TUUVXOQKSA-N 3 2 277.412 0.586 20 0 CCADLP C[C@H]1C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000577634099 335383380 /nfs/dbraw/zinc/38/33/80/335383380.db2.gz BVJBJHLZHKRCLM-TUUVXOQKSA-N 3 2 277.412 0.586 20 0 CCADLP Cc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])s1 ZINC000577723962 335392230 /nfs/dbraw/zinc/39/22/30/335392230.db2.gz QFFQMYDAZZCRNS-NSHDSACASA-N 2 2 282.413 0.841 20 0 CCADLP Cc1ccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])s1 ZINC000577723962 335392231 /nfs/dbraw/zinc/39/22/31/335392231.db2.gz QFFQMYDAZZCRNS-NSHDSACASA-N 2 2 282.413 0.841 20 0 CCADLP C[C@H]1C[N@H+](CCN2CC[C@@]3(CC[NH2+]C3)C2)CCO1 ZINC000581132784 336013255 /nfs/dbraw/zinc/01/32/55/336013255.db2.gz QCCYTAUDEGZJGZ-UONOGXRCSA-N 2 2 253.390 0.393 20 0 CCADLP C[C@H]1C[N@@H+](CCN2CC[C@@]3(CC[NH2+]C3)C2)CCO1 ZINC000581132784 336013256 /nfs/dbraw/zinc/01/32/56/336013256.db2.gz QCCYTAUDEGZJGZ-UONOGXRCSA-N 2 2 253.390 0.393 20 0 CCADLP CC(C)[C@H](CO)C[NH2+]C[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000581370512 336062946 /nfs/dbraw/zinc/06/29/46/336062946.db2.gz YHJQIDAPWDJKDW-APIJFGDWSA-N 2 2 288.432 0.311 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H]1CC[NH+](C2CC2)C1)C1CC1 ZINC000382173656 336083770 /nfs/dbraw/zinc/08/37/70/336083770.db2.gz GCPGQEGURZJNOK-WFASDCNBSA-N 3 2 267.417 0.515 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H]1CC[NH+](C2CC2)C1)C1CC1 ZINC000382173656 336083771 /nfs/dbraw/zinc/08/37/71/336083771.db2.gz GCPGQEGURZJNOK-WFASDCNBSA-N 3 2 267.417 0.515 20 0 CCADLP C[NH+](C[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000382173656 336083772 /nfs/dbraw/zinc/08/37/72/336083772.db2.gz GCPGQEGURZJNOK-WFASDCNBSA-N 3 2 267.417 0.515 20 0 CCADLP C[NH+](C[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000382173656 336083773 /nfs/dbraw/zinc/08/37/73/336083773.db2.gz GCPGQEGURZJNOK-WFASDCNBSA-N 3 2 267.417 0.515 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@H]2CCSC2)[C@@H](C[NH3+])C1 ZINC000581597779 336109297 /nfs/dbraw/zinc/10/92/97/336109297.db2.gz WWVNPIZPNJTRQC-MNOVXSKESA-N 2 2 272.418 0.024 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@H]2CCSC2)[C@@H](C[NH3+])C1 ZINC000581597779 336109298 /nfs/dbraw/zinc/10/92/98/336109298.db2.gz WWVNPIZPNJTRQC-MNOVXSKESA-N 2 2 272.418 0.024 20 0 CCADLP Cc1cnccc1C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000384908158 336134080 /nfs/dbraw/zinc/13/40/80/336134080.db2.gz BBIKYYGNINKGDN-UHFFFAOYSA-N 2 2 262.357 0.254 20 0 CCADLP Cc1cnccc1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000384908158 336134081 /nfs/dbraw/zinc/13/40/81/336134081.db2.gz BBIKYYGNINKGDN-UHFFFAOYSA-N 2 2 262.357 0.254 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000416440080 545093644 /nfs/dbraw/zinc/09/36/44/545093644.db2.gz RNOSKWPJNYANGN-GRYCIOLGSA-N 2 2 265.361 0.841 20 0 CCADLP C[C@H](NC(=O)c1ccnc(C[NH3+])c1)[C@H](C)[NH+]1CCOCC1 ZINC000361623454 533766097 /nfs/dbraw/zinc/76/60/97/533766097.db2.gz VCENYLJMYKMWGF-RYUDHWBXSA-N 2 2 292.383 0.379 20 0 CCADLP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000358152678 533793648 /nfs/dbraw/zinc/79/36/48/533793648.db2.gz HLAMHJFEPJHZBP-ILXRZTDVSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC[NH2+]1 ZINC000423626879 533935860 /nfs/dbraw/zinc/93/58/60/533935860.db2.gz SZBFVRLQLNWNQK-BPLDGKMQSA-N 2 2 295.427 0.744 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)CC[NH2+]1 ZINC000423626879 533935869 /nfs/dbraw/zinc/93/58/69/533935869.db2.gz SZBFVRLQLNWNQK-BPLDGKMQSA-N 2 2 295.427 0.744 20 0 CCADLP CC[NH+](CC)C[C@H](C)Nc1nc(C)[nH+]c(N(C)C)n1 ZINC000488401322 545098606 /nfs/dbraw/zinc/09/86/06/545098606.db2.gz URARAJPQKCAALN-JTQLQIEISA-N 2 2 266.393 0.810 20 0 CCADLP CC(C)[C@H]1C(=O)NCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000161597359 519824383 /nfs/dbraw/zinc/82/43/83/519824383.db2.gz VQRUIFVRPWTREL-STQMWFEESA-N 2 2 253.390 0.927 20 0 CCADLP CC(C)[C@H]1C(=O)NCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000161597359 519824384 /nfs/dbraw/zinc/82/43/84/519824384.db2.gz VQRUIFVRPWTREL-STQMWFEESA-N 2 2 253.390 0.927 20 0 CCADLP CC(C)[C@H]1C(=O)NCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000161597359 519824385 /nfs/dbraw/zinc/82/43/85/519824385.db2.gz VQRUIFVRPWTREL-STQMWFEESA-N 2 2 253.390 0.927 20 0 CCADLP CC(C)[C@H]1C(=O)NCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000161597359 519824386 /nfs/dbraw/zinc/82/43/86/519824386.db2.gz VQRUIFVRPWTREL-STQMWFEESA-N 2 2 253.390 0.927 20 0 CCADLP CCOC(=O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363441425 520775877 /nfs/dbraw/zinc/77/58/77/520775877.db2.gz JJFWGCMPRQMMNO-UHFFFAOYSA-N 2 2 284.400 0.984 20 0 CCADLP CC[N@H+](CCO)CCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000183957055 521111546 /nfs/dbraw/zinc/11/15/46/521111546.db2.gz VKTJKTNXCCDWLW-UHFFFAOYSA-N 2 2 276.340 0.378 20 0 CCADLP CC[N@@H+](CCO)CCNC(=O)c1ccc2[nH+]ccn2c1 ZINC000183957055 521111553 /nfs/dbraw/zinc/11/15/53/521111553.db2.gz VKTJKTNXCCDWLW-UHFFFAOYSA-N 2 2 276.340 0.378 20 0 CCADLP CC[NH+]1CCC([NH2+]C[C@H]2CCCS2(=O)=O)CC1 ZINC000156605809 521580089 /nfs/dbraw/zinc/58/00/89/521580089.db2.gz GPPGYMHEOUTIIX-GFCCVEGCSA-N 2 2 260.403 0.638 20 0 CCADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CC[NH+](CCOC)CC1 ZINC000164005780 522300833 /nfs/dbraw/zinc/30/08/33/522300833.db2.gz AXXPOCQWNHERNZ-VXGBXAGGSA-N 2 2 257.378 0.150 20 0 CCADLP COC(C[N@H+](CCCO)CCn1cc[nH+]c1)OC ZINC000183664506 522530161 /nfs/dbraw/zinc/53/01/61/522530161.db2.gz PSFGGOHVWMSTKL-UHFFFAOYSA-N 2 2 257.334 0.186 20 0 CCADLP COC(C[N@@H+](CCCO)CCn1cc[nH+]c1)OC ZINC000183664506 522530171 /nfs/dbraw/zinc/53/01/71/522530171.db2.gz PSFGGOHVWMSTKL-UHFFFAOYSA-N 2 2 257.334 0.186 20 0 CCADLP COC[C@H]1C[N@H+](CCCn2cc[nH+]c2C)CCO1 ZINC000363450030 522867753 /nfs/dbraw/zinc/86/77/53/522867753.db2.gz OFYASGJDOOZGDK-CYBMUJFWSA-N 2 2 253.346 0.929 20 0 CCADLP COC[C@H]1C[N@@H+](CCCn2cc[nH+]c2C)CCO1 ZINC000363450030 522867756 /nfs/dbraw/zinc/86/77/56/522867756.db2.gz OFYASGJDOOZGDK-CYBMUJFWSA-N 2 2 253.346 0.929 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000423751411 534716033 /nfs/dbraw/zinc/71/60/33/534716033.db2.gz FIZANIGWYCXUAO-IACUBPJLSA-N 2 2 281.400 0.483 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000423751411 534716035 /nfs/dbraw/zinc/71/60/35/534716035.db2.gz FIZANIGWYCXUAO-IACUBPJLSA-N 2 2 281.400 0.483 20 0 CCADLP COCC[N@H+](CCCn1cc[nH+]c1)CC(=O)OC ZINC000183178417 523696055 /nfs/dbraw/zinc/69/60/55/523696055.db2.gz PRTRNJPFQKAEAY-UHFFFAOYSA-N 2 2 255.318 0.395 20 0 CCADLP COCC[N@@H+](CCCn1cc[nH+]c1)CC(=O)OC ZINC000183178417 523696062 /nfs/dbraw/zinc/69/60/62/523696062.db2.gz PRTRNJPFQKAEAY-UHFFFAOYSA-N 2 2 255.318 0.395 20 0 CCADLP CO[C@H](C)[C@H](C)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000353640012 523898038 /nfs/dbraw/zinc/89/80/38/523898038.db2.gz FSIOZPQTEWWKNC-LSDHHAIUSA-N 2 2 299.459 0.796 20 0 CCADLP CO[C@H](C)[C@H](C)[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000353640012 523898041 /nfs/dbraw/zinc/89/80/41/523898041.db2.gz FSIOZPQTEWWKNC-LSDHHAIUSA-N 2 2 299.459 0.796 20 0 CCADLP CN1CC[N@H+](CCCn2cc[nH+]c2)C(C)(C)C1=O ZINC000183185863 523899278 /nfs/dbraw/zinc/89/92/78/523899278.db2.gz WGEVFXGETOWURU-UHFFFAOYSA-N 2 2 250.346 0.826 20 0 CCADLP CN1CC[N@@H+](CCCn2cc[nH+]c2)C(C)(C)C1=O ZINC000183185863 523899280 /nfs/dbraw/zinc/89/92/80/523899280.db2.gz WGEVFXGETOWURU-UHFFFAOYSA-N 2 2 250.346 0.826 20 0 CCADLP CO[C@H](C[NH3+])C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000353435438 523931518 /nfs/dbraw/zinc/93/15/18/523931518.db2.gz WIEODCDNGGOVRP-CQSZACIVSA-N 2 2 290.367 0.825 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@@H](C)[C@@H](C)[NH3+])CC2)cc[nH+]1 ZINC000423777238 534754972 /nfs/dbraw/zinc/75/49/72/534754972.db2.gz FTGCQEXTGIYAFT-WDEREUQCSA-N 2 2 277.372 0.417 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+](Cc2ccncc2)CC1)[C@H](C)[NH3+] ZINC000156534444 524125388 /nfs/dbraw/zinc/12/53/88/524125388.db2.gz NOWOAISSMZKQIW-OLZOCXBDSA-N 2 2 276.384 0.709 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000062854775 524354248 /nfs/dbraw/zinc/35/42/48/524354248.db2.gz HRKGPXXJQQKKLZ-OCCSQVGLSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000061611650 524355519 /nfs/dbraw/zinc/35/55/19/524355519.db2.gz MKNHUBQMXCNBJS-HIFRSBDPSA-N 2 2 291.395 0.566 20 0 CCADLP C[C@H](CNc1nc[nH+]c2c1OCCN2)N1CC[NH+](C)CC1 ZINC000665697797 545103390 /nfs/dbraw/zinc/10/33/90/545103390.db2.gz MDPXUXCSZSMHHU-LLVKDONJSA-N 2 2 292.387 0.329 20 0 CCADLP c1nc(N2CC[N@@H+]3CCC[C@@H]3C2)c2c([nH+]1)NCCO2 ZINC000665699883 545103477 /nfs/dbraw/zinc/10/34/77/545103477.db2.gz PVYLHLNTOFYDAH-SNVBAGLBSA-N 2 2 261.329 0.565 20 0 CCADLP c1nc(N2CC[N@H+]3CCC[C@@H]3C2)c2c([nH+]1)NCCO2 ZINC000665699883 545103478 /nfs/dbraw/zinc/10/34/78/545103478.db2.gz PVYLHLNTOFYDAH-SNVBAGLBSA-N 2 2 261.329 0.565 20 0 CCADLP C[C@@H](O)C[C@@H]1COCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000156939091 525824492 /nfs/dbraw/zinc/82/44/92/525824492.db2.gz AFGORBNASHWBSO-HZSPNIEDSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@@H](O)C[C@@H]1COCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000156939091 525824500 /nfs/dbraw/zinc/82/45/00/525824500.db2.gz AFGORBNASHWBSO-HZSPNIEDSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@@H](O)C[C@@H]1COCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000156939091 525824505 /nfs/dbraw/zinc/82/45/05/525824505.db2.gz AFGORBNASHWBSO-HZSPNIEDSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@@H](O)C[C@@H]1COCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000156939091 525824511 /nfs/dbraw/zinc/82/45/11/525824511.db2.gz AFGORBNASHWBSO-HZSPNIEDSA-N 2 2 256.390 0.942 20 0 CCADLP CC[N@@H+]1CCN(c2nc[nH+]c3c2OCCN3)[C@H](C)C1 ZINC000665719054 545105621 /nfs/dbraw/zinc/10/56/21/545105621.db2.gz INZZXYRGXSFVFO-SNVBAGLBSA-N 2 2 263.345 0.811 20 0 CCADLP CC[N@H+]1CCN(c2nc[nH+]c3c2OCCN3)[C@H](C)C1 ZINC000665719054 545105622 /nfs/dbraw/zinc/10/56/22/545105622.db2.gz INZZXYRGXSFVFO-SNVBAGLBSA-N 2 2 263.345 0.811 20 0 CCADLP O=C(NCCn1cc[nH+]c1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363479264 526473102 /nfs/dbraw/zinc/47/31/02/526473102.db2.gz GUCLIOXMFXOXKN-OLZOCXBDSA-N 2 2 293.371 0.046 20 0 CCADLP O=C(NCCn1cc[nH+]c1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363479264 526473105 /nfs/dbraw/zinc/47/31/05/526473105.db2.gz GUCLIOXMFXOXKN-OLZOCXBDSA-N 2 2 293.371 0.046 20 0 CCADLP C[NH+](C)C1(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000666139687 545114102 /nfs/dbraw/zinc/11/41/02/545114102.db2.gz SLKJTRFAESNCMG-UHFFFAOYSA-N 2 2 276.384 0.972 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(CCn2cc[nH+]c2C)[C@H](C)C1 ZINC000342183630 536454344 /nfs/dbraw/zinc/45/43/44/536454344.db2.gz TVWUAHGEFPVTRA-CYBMUJFWSA-N 2 2 294.399 0.761 20 0 CCADLP COC(=O)CC[N@H+]1CCN(CCn2cc[nH+]c2C)[C@H](C)C1 ZINC000342183630 536454347 /nfs/dbraw/zinc/45/43/47/536454347.db2.gz TVWUAHGEFPVTRA-CYBMUJFWSA-N 2 2 294.399 0.761 20 0 CCADLP COC(=O)CCN1CC[N@H+](CCn2cc[nH+]c2C)[C@H](C)C1 ZINC000342183630 536454349 /nfs/dbraw/zinc/45/43/49/536454349.db2.gz TVWUAHGEFPVTRA-CYBMUJFWSA-N 2 2 294.399 0.761 20 0 CCADLP COC(=O)CCN1CC[N@@H+](CCn2cc[nH+]c2C)[C@H](C)C1 ZINC000342183630 536454351 /nfs/dbraw/zinc/45/43/51/536454351.db2.gz TVWUAHGEFPVTRA-CYBMUJFWSA-N 2 2 294.399 0.761 20 0 CCADLP C[C@@H]1CN(CC[NH2+]Cc2c[nH+]c(N(C)C)n2C)CCO1 ZINC000666258333 545117773 /nfs/dbraw/zinc/11/77/73/545117773.db2.gz DOBLNBGNEDBNOD-GFCCVEGCSA-N 2 2 281.404 0.296 20 0 CCADLP O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666948037 545135786 /nfs/dbraw/zinc/13/57/86/545135786.db2.gz RFZARROEQDNEJK-QWRGUYRKSA-N 2 2 291.326 0.572 20 0 CCADLP CC(C)([NH3+])CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000418415548 527247495 /nfs/dbraw/zinc/24/74/95/527247495.db2.gz NRTVHKVXWMBKDQ-GFCCVEGCSA-N 2 2 278.356 0.982 20 0 CCADLP Cc1[nH+]cc(C[N@H+](CC(N)=O)C2CCCC2)n1C ZINC000667498694 545148966 /nfs/dbraw/zinc/14/89/66/545148966.db2.gz RQFMTEVALQZSCG-UHFFFAOYSA-N 2 2 250.346 0.958 20 0 CCADLP Cc1[nH+]cc(C[N@@H+](CC(N)=O)C2CCCC2)n1C ZINC000667498694 545148967 /nfs/dbraw/zinc/14/89/67/545148967.db2.gz RQFMTEVALQZSCG-UHFFFAOYSA-N 2 2 250.346 0.958 20 0 CCADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)n1C ZINC000667516801 545149016 /nfs/dbraw/zinc/14/90/16/545149016.db2.gz JBYQXFBBMAIKLO-ZDUSSCGKSA-N 2 2 262.357 0.972 20 0 CCADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)n1C ZINC000667516801 545149017 /nfs/dbraw/zinc/14/90/17/545149017.db2.gz JBYQXFBBMAIKLO-ZDUSSCGKSA-N 2 2 262.357 0.972 20 0 CCADLP O=C1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CCN1 ZINC000667599108 545150489 /nfs/dbraw/zinc/15/04/89/545150489.db2.gz MCZOXMYKUQPDRE-UHFFFAOYSA-N 2 2 271.324 0.589 20 0 CCADLP O=C1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CCN1 ZINC000667599108 545150490 /nfs/dbraw/zinc/15/04/90/545150490.db2.gz MCZOXMYKUQPDRE-UHFFFAOYSA-N 2 2 271.324 0.589 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000667595540 545150501 /nfs/dbraw/zinc/15/05/01/545150501.db2.gz JCBQDSIKIVIHBY-GFCCVEGCSA-N 2 2 264.373 0.328 20 0 CCADLP OCCO[C@H]1CCC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667617466 545151335 /nfs/dbraw/zinc/15/13/35/545151335.db2.gz SCQXJNIRXRNENL-ZDUSSCGKSA-N 2 2 265.357 0.803 20 0 CCADLP OCCO[C@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667617466 545151336 /nfs/dbraw/zinc/15/13/36/545151336.db2.gz SCQXJNIRXRNENL-ZDUSSCGKSA-N 2 2 265.357 0.803 20 0 CCADLP CNC(=O)[C@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667626432 545152220 /nfs/dbraw/zinc/15/22/20/545152220.db2.gz UWSDINIOCUDCQM-NSHDSACASA-N 2 2 262.357 0.787 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000667676092 545153380 /nfs/dbraw/zinc/15/33/80/545153380.db2.gz FOUJOWKKIVREKR-ZDUSSCGKSA-N 2 2 278.400 0.718 20 0 CCADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)n1C ZINC000668053597 545162538 /nfs/dbraw/zinc/16/25/38/545162538.db2.gz XZUHPZFXLSIDLH-GFCCVEGCSA-N 2 2 262.357 0.925 20 0 CCADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)n1C ZINC000668053597 545162539 /nfs/dbraw/zinc/16/25/39/545162539.db2.gz XZUHPZFXLSIDLH-GFCCVEGCSA-N 2 2 262.357 0.925 20 0 CCADLP Cc1[nH+]cc(CN2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)n1C ZINC000668094013 545163472 /nfs/dbraw/zinc/16/34/72/545163472.db2.gz ZYMLYWQOYQTQDD-VXGBXAGGSA-N 2 2 266.389 0.615 20 0 CCADLP Cc1[nH+]cc(CN2CC[N@H+](C[C@@H](C)O)C[C@H]2C)n1C ZINC000668094013 545163473 /nfs/dbraw/zinc/16/34/73/545163473.db2.gz ZYMLYWQOYQTQDD-VXGBXAGGSA-N 2 2 266.389 0.615 20 0 CCADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000668203411 545167193 /nfs/dbraw/zinc/16/71/93/545167193.db2.gz HVXWVTHRJSCQOI-KFWWJZLASA-N 2 2 268.401 0.990 20 0 CCADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000668203411 545167194 /nfs/dbraw/zinc/16/71/94/545167194.db2.gz HVXWVTHRJSCQOI-KFWWJZLASA-N 2 2 268.401 0.990 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000358514677 527717474 /nfs/dbraw/zinc/71/74/74/527717474.db2.gz FWVGQQXRDLKBIL-QWHCGFSZSA-N 2 2 269.389 0.117 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000358514677 527717478 /nfs/dbraw/zinc/71/74/78/527717478.db2.gz FWVGQQXRDLKBIL-QWHCGFSZSA-N 2 2 269.389 0.117 20 0 CCADLP C[NH+](C)C1(C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000668646736 545185123 /nfs/dbraw/zinc/18/51/23/545185123.db2.gz UBPAVTQQVPGQLG-UHFFFAOYSA-N 2 2 257.403 0.246 20 0 CCADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C2([NH+](C)C)CC2)CC1 ZINC000668685601 545187212 /nfs/dbraw/zinc/18/72/12/545187212.db2.gz RIQYPZQSNIXHBJ-AWEZNQCLSA-N 2 2 296.459 0.470 20 0 CCADLP O=C(NCC[NH2+]C1CC1)NCCc1cn2ccccc2[nH+]1 ZINC000668992969 545196830 /nfs/dbraw/zinc/19/68/30/545196830.db2.gz KYMJKTWCMWUXOR-UHFFFAOYSA-N 2 2 287.367 0.928 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000669323315 545205327 /nfs/dbraw/zinc/20/53/27/545205327.db2.gz LZTJRXDMJVBROX-QWHCGFSZSA-N 2 2 284.404 0.148 20 0 CCADLP [NH3+]C/C=C/CNC(=O)NCCCNc1cccc[nH+]1 ZINC000669387964 545206348 /nfs/dbraw/zinc/20/63/48/545206348.db2.gz BONKMGGOOPTHEM-DUXPYHPUSA-N 2 2 263.345 0.698 20 0 CCADLP CC1([NH3+])CCN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000669439329 545208115 /nfs/dbraw/zinc/20/81/15/545208115.db2.gz MIVPBMPMFOXIGW-UHFFFAOYSA-N 2 2 298.431 0.620 20 0 CCADLP CC1([NH3+])CCN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000669439329 545208116 /nfs/dbraw/zinc/20/81/16/545208116.db2.gz MIVPBMPMFOXIGW-UHFFFAOYSA-N 2 2 298.431 0.620 20 0 CCADLP CCC1(O)CCC(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1 ZINC000669550729 545214404 /nfs/dbraw/zinc/21/44/04/545214404.db2.gz WITLQFRGVVOCMJ-JVWICGRDSA-N 2 2 298.431 0.354 20 0 CCADLP CCC1(O)CCC(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1 ZINC000669550729 545214405 /nfs/dbraw/zinc/21/44/05/545214405.db2.gz WITLQFRGVVOCMJ-JVWICGRDSA-N 2 2 298.431 0.354 20 0 CCADLP CC[NH2+]CCNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000418324997 528309474 /nfs/dbraw/zinc/30/94/74/528309474.db2.gz LFZJJFIGVMMIDC-UHFFFAOYSA-N 2 2 291.399 0.518 20 0 CCADLP CC[N@@H+]1CCN(CC[NH+]2CCO[C@@H](C)C2)C[C@H]1C ZINC000669691554 545219455 /nfs/dbraw/zinc/21/94/55/545219455.db2.gz KTYOZPAAWSHIDQ-KGLIPLIRSA-N 2 2 255.406 0.733 20 0 CCADLP CC[N@H+]1CCN(CC[NH+]2CCO[C@@H](C)C2)C[C@H]1C ZINC000669691554 545219456 /nfs/dbraw/zinc/21/94/56/545219456.db2.gz KTYOZPAAWSHIDQ-KGLIPLIRSA-N 2 2 255.406 0.733 20 0 CCADLP CC[NH+]1CCN(CC[N@@H+]2CCO[C@@H](C)C2)C[C@H]1C ZINC000669691554 545219457 /nfs/dbraw/zinc/21/94/57/545219457.db2.gz KTYOZPAAWSHIDQ-KGLIPLIRSA-N 2 2 255.406 0.733 20 0 CCADLP CC[NH+]1CCN(CC[N@H+]2CCO[C@@H](C)C2)C[C@H]1C ZINC000669691554 545219458 /nfs/dbraw/zinc/21/94/58/545219458.db2.gz KTYOZPAAWSHIDQ-KGLIPLIRSA-N 2 2 255.406 0.733 20 0 CCADLP Cc1nc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)co1 ZINC000669950947 545224232 /nfs/dbraw/zinc/22/42/32/545224232.db2.gz WKRKDVFZLIKUPW-GFCCVEGCSA-N 2 2 292.383 0.881 20 0 CCADLP Cc1nc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)co1 ZINC000669950947 545224233 /nfs/dbraw/zinc/22/42/33/545224233.db2.gz WKRKDVFZLIKUPW-GFCCVEGCSA-N 2 2 292.383 0.881 20 0 CCADLP CCN(CCC[NH+](C)C)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000423801914 528441152 /nfs/dbraw/zinc/44/11/52/528441152.db2.gz WIKIIIJIBTXVJV-SNVBAGLBSA-N 2 2 263.332 0.784 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670985711 545240803 /nfs/dbraw/zinc/24/08/03/545240803.db2.gz HXGRHEBSYDLLLN-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670985711 545240804 /nfs/dbraw/zinc/24/08/04/545240804.db2.gz HXGRHEBSYDLLLN-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP COC1CC[NH+](CC[NH2+]C2CCC(O)CC2)CC1 ZINC000671750266 545259242 /nfs/dbraw/zinc/25/92/42/545259242.db2.gz VGMXQSGGJSZECL-UHFFFAOYSA-N 2 2 256.390 0.990 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCCCN1CCC[N@@H+](C)CC1 ZINC000672250465 545265927 /nfs/dbraw/zinc/26/59/27/545265927.db2.gz JVMGGRIOWUXZFH-UHFFFAOYSA-N 2 2 293.415 0.335 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000672250465 545265928 /nfs/dbraw/zinc/26/59/28/545265928.db2.gz JVMGGRIOWUXZFH-UHFFFAOYSA-N 2 2 293.415 0.335 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCCC[N@H+]1CCCN(C)CC1 ZINC000672250465 545265929 /nfs/dbraw/zinc/26/59/29/545265929.db2.gz JVMGGRIOWUXZFH-UHFFFAOYSA-N 2 2 293.415 0.335 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCCC[N@@H+]1CCCN(C)CC1 ZINC000672250465 545265930 /nfs/dbraw/zinc/26/59/30/545265930.db2.gz JVMGGRIOWUXZFH-UHFFFAOYSA-N 2 2 293.415 0.335 20 0 CCADLP CC(C)[NH+]1CCC(O)(CNC(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493069114 529003029 /nfs/dbraw/zinc/00/30/29/529003029.db2.gz FXYQJRMTZHHJPG-ONEGZZNKSA-N 2 2 292.383 0.774 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000418417965 529057655 /nfs/dbraw/zinc/05/76/55/529057655.db2.gz XBLPZVZPYLJOOD-BFHYXJOUSA-N 2 2 298.431 0.474 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000673650306 545290077 /nfs/dbraw/zinc/29/00/77/545290077.db2.gz MKOSLPKLCAWUQG-AWEZNQCLSA-N 2 2 292.383 0.596 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000673650306 545290078 /nfs/dbraw/zinc/29/00/78/545290078.db2.gz MKOSLPKLCAWUQG-AWEZNQCLSA-N 2 2 292.383 0.596 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449649816 529213560 /nfs/dbraw/zinc/21/35/60/529213560.db2.gz XTLWAWHNWPUTBM-IVZWLZJFSA-N 2 2 263.332 0.721 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[N@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000423900125 529248396 /nfs/dbraw/zinc/24/83/96/529248396.db2.gz RIUORDCJZLPWSL-OBJOEFQTSA-N 2 2 299.415 0.456 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[N@@H+](CCC(=O)OC)[C@@H](C)C1 ZINC000423900125 529248397 /nfs/dbraw/zinc/24/83/97/529248397.db2.gz RIUORDCJZLPWSL-OBJOEFQTSA-N 2 2 299.415 0.456 20 0 CCADLP CC[C@H]1CN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C[C@H]1[NH+]1CCOCC1 ZINC000423884295 529279922 /nfs/dbraw/zinc/27/99/22/529279922.db2.gz VVBKAMGECOWYRZ-NHIYQJMISA-N 2 2 293.411 0.308 20 0 CCADLP CC[C@H]1CN(C(=O)[C@]23C[C@H]2CC[NH2+]3)C[C@@H]1[NH+]1CCOCC1 ZINC000423884289 529280072 /nfs/dbraw/zinc/28/00/72/529280072.db2.gz VVBKAMGECOWYRZ-FQLMCAECSA-N 2 2 293.411 0.308 20 0 CCADLP C[NH+](C)[C@@]1(C[NH2+]C[C@H]2CNc3ccnn3C2)CCSC1 ZINC000673931555 545296293 /nfs/dbraw/zinc/29/62/93/545296293.db2.gz HZYODDNMZJYYGQ-GXTWGEPZSA-N 2 2 295.456 0.952 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[NH+](C)C ZINC000674265880 545302124 /nfs/dbraw/zinc/30/21/24/545302124.db2.gz JRQWZXUMXKOCQV-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP C[C@@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CC[NH+]1[C@H]1CCCOC1 ZINC000674300702 545303574 /nfs/dbraw/zinc/30/35/74/545303574.db2.gz DXAYQGVVVULOTR-PMPSAXMXSA-N 2 2 297.443 0.502 20 0 CCADLP C[C@@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1[C@H]1CCCOC1 ZINC000674300702 545303575 /nfs/dbraw/zinc/30/35/75/545303575.db2.gz DXAYQGVVVULOTR-PMPSAXMXSA-N 2 2 297.443 0.502 20 0 CCADLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1[C@H]1CCCOC1 ZINC000674300702 545303576 /nfs/dbraw/zinc/30/35/76/545303576.db2.gz DXAYQGVVVULOTR-PMPSAXMXSA-N 2 2 297.443 0.502 20 0 CCADLP C[C@@H]1CN(C[C@@H]2C[NH+](C)CCO2)CC[N@H+]1[C@H]1CCCOC1 ZINC000674300702 545303577 /nfs/dbraw/zinc/30/35/77/545303577.db2.gz DXAYQGVVVULOTR-PMPSAXMXSA-N 2 2 297.443 0.502 20 0 CCADLP O=C(C[NH+]1CCCC1)N1CC[NH+]([C@@H]2CCCOC2)CC1 ZINC000674302271 545303733 /nfs/dbraw/zinc/30/37/33/545303733.db2.gz ZMAXTHLWQJAFIM-CQSZACIVSA-N 2 2 281.400 0.405 20 0 CCADLP CC(C)[C@H](C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C)N1CC[NH+](C)CC1 ZINC000343266512 535023307 /nfs/dbraw/zinc/02/33/07/535023307.db2.gz FHPMSPOMEYQSCT-JYJNAYRXSA-N 3 2 282.476 0.798 20 0 CCADLP CC(C)[C@H](C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)N1CC[NH+](C)CC1 ZINC000343266512 535023310 /nfs/dbraw/zinc/02/33/10/535023310.db2.gz FHPMSPOMEYQSCT-JYJNAYRXSA-N 3 2 282.476 0.798 20 0 CCADLP COC[C@@H](C)CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000674800104 545313691 /nfs/dbraw/zinc/31/36/91/545313691.db2.gz VTRWVOSWWOJAOD-KBPBESRZSA-N 2 2 297.443 0.944 20 0 CCADLP COC[C@@H](C)CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000674800104 545313692 /nfs/dbraw/zinc/31/36/92/545313692.db2.gz VTRWVOSWWOJAOD-KBPBESRZSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)([NH3+])CNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000518530759 535208525 /nfs/dbraw/zinc/20/85/25/535208525.db2.gz FMLWDZIWMMVHIP-UHFFFAOYSA-N 2 2 260.301 0.129 20 0 CCADLP CC1CCC(NC(=O)C[NH+]2CCN(CC[NH3+])CC2)CC1 ZINC000263095922 535264732 /nfs/dbraw/zinc/26/47/32/535264732.db2.gz YWWHTOKFVMJXHU-UHFFFAOYSA-N 2 2 282.432 0.258 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC000675621198 545329371 /nfs/dbraw/zinc/32/93/71/545329371.db2.gz ARZSESPFKLXMRB-AWEZNQCLSA-N 2 2 294.399 0.738 20 0 CCADLP CC1CC[NH+](CCN2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000676084754 545334987 /nfs/dbraw/zinc/33/49/87/545334987.db2.gz PPNLEIUTAYAGKS-UHFFFAOYSA-N 2 2 296.459 0.424 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263175483 535487061 /nfs/dbraw/zinc/48/70/61/535487061.db2.gz GDOWGZUUXPAMBB-GHMZBOCLSA-N 2 2 275.343 0.974 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263175483 535487064 /nfs/dbraw/zinc/48/70/64/535487064.db2.gz GDOWGZUUXPAMBB-GHMZBOCLSA-N 2 2 275.343 0.974 20 0 CCADLP C[C@H](CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000676249382 545338392 /nfs/dbraw/zinc/33/83/92/545338392.db2.gz DHUMWRWKJCISMR-OWYFMNJBSA-N 4 2 278.444 0.067 20 0 CCADLP C[C@H](CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000676249382 545338393 /nfs/dbraw/zinc/33/83/93/545338393.db2.gz DHUMWRWKJCISMR-OWYFMNJBSA-N 4 2 278.444 0.067 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1 ZINC000676348207 545342349 /nfs/dbraw/zinc/34/23/49/545342349.db2.gz QXRAIIHEFNGTHD-BFHYXJOUSA-N 2 2 283.416 0.696 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1 ZINC000676348207 545342350 /nfs/dbraw/zinc/34/23/50/545342350.db2.gz QXRAIIHEFNGTHD-BFHYXJOUSA-N 2 2 283.416 0.696 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000676348207 545342351 /nfs/dbraw/zinc/34/23/51/545342351.db2.gz QXRAIIHEFNGTHD-BFHYXJOUSA-N 2 2 283.416 0.696 20 0 CCADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000676348207 545342352 /nfs/dbraw/zinc/34/23/52/545342352.db2.gz QXRAIIHEFNGTHD-BFHYXJOUSA-N 2 2 283.416 0.696 20 0 CCADLP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000676694724 545348850 /nfs/dbraw/zinc/34/88/50/545348850.db2.gz AYSSIWDUPMYJPB-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000676694724 545348851 /nfs/dbraw/zinc/34/88/51/545348851.db2.gz AYSSIWDUPMYJPB-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP CC(C)[NH2+][C@H]1CCCN(C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000676702753 545349343 /nfs/dbraw/zinc/34/93/43/545349343.db2.gz VTYDWWVIOJDGFD-GJZGRUSLSA-N 2 2 285.432 0.142 20 0 CCADLP C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000676719864 545350270 /nfs/dbraw/zinc/35/02/70/545350270.db2.gz OXZJEIWBQWEDCE-NWDGAFQWSA-N 2 2 262.357 0.656 20 0 CCADLP C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000676719864 545350271 /nfs/dbraw/zinc/35/02/71/545350271.db2.gz OXZJEIWBQWEDCE-NWDGAFQWSA-N 2 2 262.357 0.656 20 0 CCADLP CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000676842984 545353386 /nfs/dbraw/zinc/35/33/86/545353386.db2.gz LAPCHMQYRXSKSL-TZMCWYRMSA-N 2 2 292.383 0.282 20 0 CCADLP CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000676842984 545353387 /nfs/dbraw/zinc/35/33/87/545353387.db2.gz LAPCHMQYRXSKSL-TZMCWYRMSA-N 2 2 292.383 0.282 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]CCCN2CC[NH+](CC)CC2)[C@@H](C)C1 ZINC000347717046 535783565 /nfs/dbraw/zinc/78/35/65/535783565.db2.gz IZUSQXGOKBKRLG-HOTGVXAUSA-N 3 2 282.476 0.944 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]CCCN2CC[NH+](CC)CC2)[C@@H](C)C1 ZINC000347717046 535783566 /nfs/dbraw/zinc/78/35/66/535783566.db2.gz IZUSQXGOKBKRLG-HOTGVXAUSA-N 3 2 282.476 0.944 20 0 CCADLP CCn1nccc1C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362685381 535869574 /nfs/dbraw/zinc/86/95/74/535869574.db2.gz SAJBOPZJENJZRD-ZDUSSCGKSA-N 2 2 291.399 0.299 20 0 CCADLP CCn1nccc1C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362685381 535869578 /nfs/dbraw/zinc/86/95/78/535869578.db2.gz SAJBOPZJENJZRD-ZDUSSCGKSA-N 2 2 291.399 0.299 20 0 CCADLP Cn1ccc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c1 ZINC000677850631 545374362 /nfs/dbraw/zinc/37/43/62/545374362.db2.gz JZOOBYIGOHGPPU-MRXNPFEDSA-N 2 2 292.427 0.521 20 0 CCADLP CC[N@@H+]1CCN(C(=O)C[NH+](C)[C@H]2CCSC2)C[C@@H]1C ZINC000677931626 545377787 /nfs/dbraw/zinc/37/77/87/545377787.db2.gz UVWXXALVFRXMQP-STQMWFEESA-N 2 2 285.457 0.976 20 0 CCADLP CC[N@H+]1CCN(C(=O)C[NH+](C)[C@H]2CCSC2)C[C@@H]1C ZINC000677931626 545377788 /nfs/dbraw/zinc/37/77/88/545377788.db2.gz UVWXXALVFRXMQP-STQMWFEESA-N 2 2 285.457 0.976 20 0 CCADLP CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)C[C@@H]1C ZINC000677931626 545377789 /nfs/dbraw/zinc/37/77/89/545377789.db2.gz UVWXXALVFRXMQP-STQMWFEESA-N 2 2 285.457 0.976 20 0 CCADLP CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)C[C@@H]1C ZINC000677931626 545377790 /nfs/dbraw/zinc/37/77/90/545377790.db2.gz UVWXXALVFRXMQP-STQMWFEESA-N 2 2 285.457 0.976 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000678081126 545383877 /nfs/dbraw/zinc/38/38/77/545383877.db2.gz OEWJRTZXYRCXML-GFCCVEGCSA-N 2 2 277.372 0.324 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+]1C1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000678081126 545383878 /nfs/dbraw/zinc/38/38/78/545383878.db2.gz OEWJRTZXYRCXML-GFCCVEGCSA-N 2 2 277.372 0.324 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000493194776 536103605 /nfs/dbraw/zinc/10/36/05/536103605.db2.gz ZRFICXRFFBLZBN-LLYBFZRZSA-N 2 2 292.383 0.801 20 0 CCADLP CC[C@H]1C[N@H+](CCNc2cc[nH+]c(N(C)C)n2)CCO1 ZINC000362679071 536143859 /nfs/dbraw/zinc/14/38/59/536143859.db2.gz DEQUHBDCDFZGQD-LBPRGKRZSA-N 2 2 279.388 0.487 20 0 CCADLP CC[C@H]1C[N@@H+](CCNc2cc[nH+]c(N(C)C)n2)CCO1 ZINC000362679071 536143864 /nfs/dbraw/zinc/14/38/64/536143864.db2.gz DEQUHBDCDFZGQD-LBPRGKRZSA-N 2 2 279.388 0.487 20 0 CCADLP CCn1cnnc1CC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000678586599 545395071 /nfs/dbraw/zinc/39/50/71/545395071.db2.gz BKGQMLJGDWQIHO-DGCLKSJQSA-N 2 2 263.389 0.913 20 0 CCADLP CCn1cnnc1CC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000678586599 545395072 /nfs/dbraw/zinc/39/50/72/545395072.db2.gz BKGQMLJGDWQIHO-DGCLKSJQSA-N 2 2 263.389 0.913 20 0 CCADLP CC[N@@H+]1CCN([C@@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000678718696 545396675 /nfs/dbraw/zinc/39/66/75/545396675.db2.gz MUZYDYKDNHKLTI-KBPBESRZSA-N 2 2 255.406 0.733 20 0 CCADLP CC[N@H+]1CCN([C@@H](C)C[NH+]2CCOCC2)C[C@@H]1C ZINC000678718696 545396676 /nfs/dbraw/zinc/39/66/76/545396676.db2.gz MUZYDYKDNHKLTI-KBPBESRZSA-N 2 2 255.406 0.733 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000372324032 536374426 /nfs/dbraw/zinc/37/44/26/536374426.db2.gz FKKGXYMXLCDKDP-VXGBXAGGSA-N 2 2 262.357 0.656 20 0 CCADLP C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000372324032 536374427 /nfs/dbraw/zinc/37/44/27/536374427.db2.gz FKKGXYMXLCDKDP-VXGBXAGGSA-N 2 2 262.357 0.656 20 0 CCADLP C[N@H+](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000372148791 536384391 /nfs/dbraw/zinc/38/43/91/536384391.db2.gz GLFPLNJGCBWRSC-LLVKDONJSA-N 2 2 262.357 0.656 20 0 CCADLP C[N@@H+](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000372148791 536384395 /nfs/dbraw/zinc/38/43/95/536384395.db2.gz GLFPLNJGCBWRSC-LLVKDONJSA-N 2 2 262.357 0.656 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](N3CCCC3)C2)CC1 ZINC000372456003 536402608 /nfs/dbraw/zinc/40/26/08/536402608.db2.gz RBLKVVKXJCEZCU-OAHLLOKOSA-N 2 2 294.443 0.321 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H](N3CCCC3)C2)CC1 ZINC000372456003 536402609 /nfs/dbraw/zinc/40/26/09/536402609.db2.gz RBLKVVKXJCEZCU-OAHLLOKOSA-N 2 2 294.443 0.321 20 0 CCADLP COC(=O)[C@@]1([NH2+]CCCCn2cc[nH+]c2C)CCOC1 ZINC000348130411 536578671 /nfs/dbraw/zinc/57/86/71/536578671.db2.gz WAQTVESRVLCWNC-CQSZACIVSA-N 2 2 281.356 0.893 20 0 CCADLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]Cc2cn[nH]c2)C1=O ZINC000679933416 545419281 /nfs/dbraw/zinc/41/92/81/545419281.db2.gz BTVCOVUERWOEJH-GFCCVEGCSA-N 2 2 288.355 0.424 20 0 CCADLP NC(=O)c1c[nH+]ccc1N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000680829023 545435277 /nfs/dbraw/zinc/43/52/77/545435277.db2.gz UVAADXVGMLZMJK-UONOGXRCSA-N 2 2 290.367 0.216 20 0 CCADLP CC1(C)CN(CCC[NH+]2CCOCC2)CC[N@@H+]1CCO ZINC000682036569 545471374 /nfs/dbraw/zinc/47/13/74/545471374.db2.gz ZKIMDTIOYCPZRJ-UHFFFAOYSA-N 2 2 285.432 0.097 20 0 CCADLP CC1(C)CN(CCC[NH+]2CCOCC2)CC[N@H+]1CCO ZINC000682036569 545471375 /nfs/dbraw/zinc/47/13/75/545471375.db2.gz ZKIMDTIOYCPZRJ-UHFFFAOYSA-N 2 2 285.432 0.097 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@H]1C[N@H+](C)CCO1 ZINC000682513772 545481567 /nfs/dbraw/zinc/48/15/67/545481567.db2.gz CCADEUPJRPGBEY-YNEHKIRRSA-N 2 2 292.383 0.281 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@H]1C[N@@H+](C)CCO1 ZINC000682513772 545481568 /nfs/dbraw/zinc/48/15/68/545481568.db2.gz CCADEUPJRPGBEY-YNEHKIRRSA-N 2 2 292.383 0.281 20 0 CCADLP Cn1ncc2c1nc(NC[C@H]1CC[N@@H+](C3CC3)C1)[nH+]c2N ZINC000683456286 545524822 /nfs/dbraw/zinc/52/48/22/545524822.db2.gz KCZMBBOUHOYSAG-SECBINFHSA-N 2 2 287.371 0.842 20 0 CCADLP Cn1ncc2c1nc(NC[C@H]1CC[N@H+](C3CC3)C1)[nH+]c2N ZINC000683456286 545524827 /nfs/dbraw/zinc/52/48/27/545524827.db2.gz KCZMBBOUHOYSAG-SECBINFHSA-N 2 2 287.371 0.842 20 0 CCADLP C[C@H]1CCCN(C(=O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)C1 ZINC000683895420 545577173 /nfs/dbraw/zinc/57/71/73/545577173.db2.gz VAVQRZQPXPTYOA-ZDUSSCGKSA-N 2 2 291.399 0.790 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000683919741 545585349 /nfs/dbraw/zinc/58/53/49/545585349.db2.gz LYLJESHPCHVNDL-LBPRGKRZSA-N 2 2 294.399 0.602 20 0 CCADLP CN(Cc1cnnn1C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685457583 545822482 /nfs/dbraw/zinc/82/24/82/545822482.db2.gz FLSNUFGPBPIJTN-CQSZACIVSA-N 2 2 292.431 0.415 20 0 CCADLP CN(Cc1cnnn1C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685457583 545822488 /nfs/dbraw/zinc/82/24/88/545822488.db2.gz FLSNUFGPBPIJTN-CQSZACIVSA-N 2 2 292.431 0.415 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1[C@H]2C[N@H+](CC3CCC3)C[C@H]21 ZINC000962147407 649892981 /nfs/dbraw/zinc/89/29/81/649892981.db2.gz JWAQDOMPHFNAGH-JYAVWHMHSA-N 2 2 274.368 0.799 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1[C@H]2C[N@@H+](CC3CCC3)C[C@H]21 ZINC000962147407 649892982 /nfs/dbraw/zinc/89/29/82/649892982.db2.gz JWAQDOMPHFNAGH-JYAVWHMHSA-N 2 2 274.368 0.799 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCF)C[C@H]21 ZINC000962295078 649897690 /nfs/dbraw/zinc/89/76/90/649897690.db2.gz TXSAPERLSUHQFO-IMRBUKKESA-N 2 2 280.347 0.369 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCF)C[C@H]21 ZINC000962295078 649897692 /nfs/dbraw/zinc/89/76/92/649897692.db2.gz TXSAPERLSUHQFO-IMRBUKKESA-N 2 2 280.347 0.369 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC1[C@H]2C[N@H+](C/C=C/Cl)C[C@@H]12 ZINC000962577761 649904444 /nfs/dbraw/zinc/90/44/44/649904444.db2.gz NTCAMPLEVCAVSG-GMJUUCKOSA-N 2 2 294.786 0.990 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC1[C@H]2C[N@@H+](C/C=C/Cl)C[C@@H]12 ZINC000962577761 649904447 /nfs/dbraw/zinc/90/44/47/649904447.db2.gz NTCAMPLEVCAVSG-GMJUUCKOSA-N 2 2 294.786 0.990 20 0 CCADLP CC[C@@H](CO)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000779754222 581202326 /nfs/dbraw/zinc/20/23/26/581202326.db2.gz QMLWOEIQXXEGAI-ZDUSSCGKSA-N 2 2 297.443 0.680 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000726255835 581233888 /nfs/dbraw/zinc/23/38/88/581233888.db2.gz MEJKGNQUCMWKNG-STQMWFEESA-N 2 2 295.387 0.292 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000726255835 581233891 /nfs/dbraw/zinc/23/38/91/581233891.db2.gz MEJKGNQUCMWKNG-STQMWFEESA-N 2 2 295.387 0.292 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)NC[C@H]2CCC[NH+]2C)CCO1 ZINC000726713996 581247332 /nfs/dbraw/zinc/24/73/32/581247332.db2.gz XNSLLNXIXDWLPK-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)NC[C@H]2CCC[NH+]2C)CCO1 ZINC000726713996 581247334 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Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+](C)[C@H]2CCOC2)C1 ZINC000783987647 581370157 /nfs/dbraw/zinc/37/01/57/581370157.db2.gz JIZNXZMBFXLVNJ-RYUDHWBXSA-N 2 2 278.356 0.414 20 0 CCADLP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+](C)[C@H]2CCOC2)C1 ZINC000783987647 581370160 /nfs/dbraw/zinc/37/01/60/581370160.db2.gz JIZNXZMBFXLVNJ-RYUDHWBXSA-N 2 2 278.356 0.414 20 0 CCADLP CC1(C)C[N@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@@]2(CCOC2)O1 ZINC000796558775 581443662 /nfs/dbraw/zinc/44/36/62/581443662.db2.gz JSTDAQKPWQPBNK-GOEBONIOSA-N 2 2 298.427 0.713 20 0 CCADLP CC1(C)C[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@@]2(CCOC2)O1 ZINC000796558775 581443663 /nfs/dbraw/zinc/44/36/63/581443663.db2.gz JSTDAQKPWQPBNK-GOEBONIOSA-N 2 2 298.427 0.713 20 0 CCADLP O=C1CC[C@H]([N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C(=O)N1 ZINC000765963927 581542432 /nfs/dbraw/zinc/54/24/32/581542432.db2.gz MPYLWLVJQNNVBE-RYUDHWBXSA-N 2 2 265.357 0.209 20 0 CCADLP O=C1CC[C@H]([N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C(=O)N1 ZINC000765963927 581542436 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CC[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCO[C@H](C)C1 ZINC000745794213 581640774 /nfs/dbraw/zinc/64/07/74/581640774.db2.gz XXGVJSQREAEHTL-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCO[C@H](C)C1 ZINC000745794213 581640777 /nfs/dbraw/zinc/64/07/77/581640777.db2.gz XXGVJSQREAEHTL-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH+]1CCC[C@H]1CNC(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000745794213 581640784 /nfs/dbraw/zinc/64/07/84/581640784.db2.gz XXGVJSQREAEHTL-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CN1CC[NH+](CCCCCN2CC[NH+](C)CC2)CC1 ZINC000740873905 581720446 /nfs/dbraw/zinc/72/04/46/581720446.db2.gz NBQFMTATRZTFTE-UHFFFAOYSA-N 2 2 268.449 0.652 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000732150101 581805280 /nfs/dbraw/zinc/80/52/80/581805280.db2.gz WVBZORAAPZQYMY-AWEZNQCLSA-N 2 2 293.415 0.334 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000732150101 581805288 /nfs/dbraw/zinc/80/52/88/581805288.db2.gz WVBZORAAPZQYMY-AWEZNQCLSA-N 2 2 293.415 0.334 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)NC[C@H]1CN(C)CC[N@@H+]1C ZINC000732150101 581805292 /nfs/dbraw/zinc/80/52/92/581805292.db2.gz WVBZORAAPZQYMY-AWEZNQCLSA-N 2 2 293.415 0.334 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)NC[C@H]1CN(C)CC[N@H+]1C ZINC000732150101 581805297 /nfs/dbraw/zinc/80/52/97/581805297.db2.gz WVBZORAAPZQYMY-AWEZNQCLSA-N 2 2 293.415 0.334 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000761123088 581890304 /nfs/dbraw/zinc/89/03/04/581890304.db2.gz KCVHZSXUHRNQGQ-KGLIPLIRSA-N 2 2 254.374 0.554 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCOC[C@H]1C1CC1 ZINC000761123088 581890307 /nfs/dbraw/zinc/89/03/07/581890307.db2.gz KCVHZSXUHRNQGQ-KGLIPLIRSA-N 2 2 254.374 0.554 20 0 CCADLP O=C(CC[NH+]1CCOCC1)N1CC[NH+](C2CCC2)CC1 ZINC000733274975 581896521 /nfs/dbraw/zinc/89/65/21/581896521.db2.gz FIBZNNGGZIJWBZ-UHFFFAOYSA-N 2 2 281.400 0.405 20 0 CCADLP CC[C@H](C(=O)N1CCC[N@H+](CC(N)=O)CC1)[NH+](CC)CC ZINC000746218909 581901698 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CCOCCO[C@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000750261685 582039807 /nfs/dbraw/zinc/03/98/07/582039807.db2.gz GJTRLTKHKPVWJA-CABCVRRESA-N 2 2 286.416 0.571 20 0 CCADLP CCOCCO[C@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000750261685 582039810 /nfs/dbraw/zinc/03/98/10/582039810.db2.gz GJTRLTKHKPVWJA-CABCVRRESA-N 2 2 286.416 0.571 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCSCC1 ZINC000764403200 582044790 /nfs/dbraw/zinc/04/47/90/582044790.db2.gz SEKXWHDZHIDALZ-RYUDHWBXSA-N 2 2 271.430 0.586 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCSCC1 ZINC000764403200 582044793 /nfs/dbraw/zinc/04/47/93/582044793.db2.gz SEKXWHDZHIDALZ-RYUDHWBXSA-N 2 2 271.430 0.586 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)N2CC[C@H](C[NH+](C)C)C2)CCO1 ZINC000776515446 582075423 /nfs/dbraw/zinc/07/54/23/582075423.db2.gz SUBCLZQNIAQFDS-UONOGXRCSA-N 2 2 298.431 0.300 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)N2CC[C@H](C[NH+](C)C)C2)CCO1 ZINC000776515446 582075427 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CSC1CC([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000926747739 617207400 /nfs/dbraw/zinc/20/74/00/617207400.db2.gz XOHODPNVVNLIMK-MCIGGMRASA-N 2 2 271.430 0.810 20 0 CCADLP CSC1CC([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000926747739 617207401 /nfs/dbraw/zinc/20/74/01/617207401.db2.gz XOHODPNVVNLIMK-MCIGGMRASA-N 2 2 271.430 0.810 20 0 CCADLP CC(C)(C)S(=O)(=O)CC[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903921919 614019259 /nfs/dbraw/zinc/01/92/59/614019259.db2.gz SOCWXBWNDUBWQK-QMMMGPOBSA-N 2 2 272.361 0.772 20 0 CCADLP CC(C)(CNC(=O)C[C@H]([NH3+])C1CC1)[NH+]1CCOCC1 ZINC000123893648 614096026 /nfs/dbraw/zinc/09/60/26/614096026.db2.gz KGNOMWZWAJUPAH-LBPRGKRZSA-N 2 2 269.389 0.341 20 0 CCADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000876781868 613192964 /nfs/dbraw/zinc/19/29/64/613192964.db2.gz KLMHKMQIJWQQJZ-NMJJRHIFSA-N 2 2 294.443 0.150 20 0 CCADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000876755630 613210687 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AIUPWDIRDDHPIA-NEPJUHHUSA-N 2 2 271.405 0.729 20 0 CCADLP CCOC(=O)[C@H]1C[N@H+](CCCc2c[nH+]cn2C)CCO1 ZINC000846804992 615382215 /nfs/dbraw/zinc/38/22/15/615382215.db2.gz BXBJBBCSPAJJAX-CYBMUJFWSA-N 2 2 281.356 0.617 20 0 CCADLP CCOC(=O)[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)CCO1 ZINC000846804992 615382218 /nfs/dbraw/zinc/38/22/18/615382218.db2.gz BXBJBBCSPAJJAX-CYBMUJFWSA-N 2 2 281.356 0.617 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1NCc1cc(N)cc[nH+]1 ZINC000925768497 615388542 /nfs/dbraw/zinc/38/85/42/615388542.db2.gz VXARPNZNFUSQJQ-NEPJUHHUSA-N 2 2 264.329 0.047 20 0 CCADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)CNc1cccc[nH+]1 ZINC000900993861 615403846 /nfs/dbraw/zinc/40/38/46/615403846.db2.gz KUMTYGHFYGAMEJ-ZDUSSCGKSA-N 2 2 294.399 0.967 20 0 CCADLP CCO[C@@H](CNC(=O)CNc1cccc[nH+]1)C[NH+](C)C ZINC000831709324 615405457 /nfs/dbraw/zinc/40/54/57/615405457.db2.gz ZCDSUDCOAWRYBR-LBPRGKRZSA-N 2 2 280.372 0.576 20 0 CCADLP CCO[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C[NH+](C)C ZINC000831714702 615408216 /nfs/dbraw/zinc/40/82/16/615408216.db2.gz XOEUKTAOPREJED-YNEHKIRRSA-N 2 2 294.399 0.607 20 0 CCADLP CCO[C@@H](CNc1cc(CO)cc[nH+]1)C[NH+](C)C ZINC000896110069 615410932 /nfs/dbraw/zinc/41/09/32/615410932.db2.gz QVOOADIPWQZHOM-LBPRGKRZSA-N 2 2 253.346 0.953 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C(CC)(CC)C[NH3+] ZINC000877432389 615566812 /nfs/dbraw/zinc/56/68/12/615566812.db2.gz CRWGLNBCGMARPP-CYBMUJFWSA-N 2 2 285.432 0.979 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C(CC)(CC)C[NH3+] ZINC000877432389 615566813 /nfs/dbraw/zinc/56/68/13/615566813.db2.gz CRWGLNBCGMARPP-CYBMUJFWSA-N 2 2 285.432 0.979 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872312045 615568295 /nfs/dbraw/zinc/56/82/95/615568295.db2.gz LUGOIELITSPSKN-COMQUAJESA-N 2 2 281.400 0.341 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000872312045 615568296 /nfs/dbraw/zinc/56/82/96/615568296.db2.gz LUGOIELITSPSKN-COMQUAJESA-N 2 2 281.400 0.341 20 0 CCADLP CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)[nH]2)C1)[NH+](C)C ZINC000969077598 615602717 /nfs/dbraw/zinc/60/27/17/615602717.db2.gz YCPUKFSEEACFOL-VXGBXAGGSA-N 2 2 294.403 0.144 20 0 CCADLP CCn1cnc2c1CC[N@H+](C[C@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000923558128 615629972 /nfs/dbraw/zinc/62/99/72/615629972.db2.gz QUHSEIMARSVVJF-GFCCVEGCSA-N 2 2 276.384 0.640 20 0 CCADLP CCn1cnc2c1CC[N@@H+](C[C@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000923558128 615629973 /nfs/dbraw/zinc/62/99/73/615629973.db2.gz QUHSEIMARSVVJF-GFCCVEGCSA-N 2 2 276.384 0.640 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)N(C)CC[NH+](C)C ZINC000925600160 615715418 /nfs/dbraw/zinc/71/54/18/615715418.db2.gz FYDUXNWMZPFGQN-CYBMUJFWSA-N 2 2 286.420 0.300 20 0 CCADLP CCc1nnc(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)s1 ZINC000892893790 615813604 /nfs/dbraw/zinc/81/36/04/615813604.db2.gz QCGAXUFEWOWRML-LLVKDONJSA-N 2 2 283.445 0.826 20 0 CCADLP C[NH+](C)C1(C(=O)N2CC[NH+](CCCF)CC2)CCC1 ZINC000862112491 615840802 /nfs/dbraw/zinc/84/08/02/615840802.db2.gz KRKRRNIWWIIUKQ-UHFFFAOYSA-N 2 2 271.380 0.975 20 0 CCADLP C[NH+](C)C1(CNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1 ZINC000922982041 615850244 /nfs/dbraw/zinc/85/02/44/615850244.db2.gz MEBIQLALUVDXEM-SNVBAGLBSA-N 2 2 263.345 0.201 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC(C)(C)C[NH+](C)C ZINC000876305741 615868253 /nfs/dbraw/zinc/86/82/53/615868253.db2.gz SHGVWJQMGHJGDI-UHFFFAOYSA-N 2 2 253.350 0.560 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=S)NCC1CC1 ZINC000849279683 615879926 /nfs/dbraw/zinc/87/99/26/615879926.db2.gz FABUWPHTXXWTCF-UHFFFAOYSA-N 2 2 272.462 0.744 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=S)NCC1CC1 ZINC000849279683 615879928 /nfs/dbraw/zinc/87/99/28/615879928.db2.gz FABUWPHTXXWTCF-UHFFFAOYSA-N 2 2 272.462 0.744 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1=O ZINC000878802240 615899761 /nfs/dbraw/zinc/89/97/61/615899761.db2.gz CDJNXGZWDPXKRD-KKUMJFAQSA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1=O ZINC000878802240 615899762 /nfs/dbraw/zinc/89/97/62/615899762.db2.gz CDJNXGZWDPXKRD-KKUMJFAQSA-N 2 2 295.427 0.650 20 0 CCADLP CC[C@H](C(=O)NCC(C)(C)[NH3+])[N@@H+]1CCO[C@@H](CC)C1 ZINC000911847569 615918044 /nfs/dbraw/zinc/91/80/44/615918044.db2.gz ZNTIZWRWTPANBX-NWDGAFQWSA-N 2 2 271.405 0.729 20 0 CCADLP CC[C@H](C(=O)NCC(C)(C)[NH3+])[N@H+]1CCO[C@@H](CC)C1 ZINC000911847569 615918046 /nfs/dbraw/zinc/91/80/46/615918046.db2.gz ZNTIZWRWTPANBX-NWDGAFQWSA-N 2 2 271.405 0.729 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@H]2CC3(CCC3)C(=O)O2)C1 ZINC000878867034 615952539 /nfs/dbraw/zinc/95/25/39/615952539.db2.gz ZGMWWUOOLVWRKS-CZUORRHYSA-N 2 2 296.411 0.861 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@H]2CC3(CCC3)C(=O)O2)C1 ZINC000878867034 615952540 /nfs/dbraw/zinc/95/25/40/615952540.db2.gz ZGMWWUOOLVWRKS-CZUORRHYSA-N 2 2 296.411 0.861 20 0 CCADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@H](CC(N)=O)C2)s1 ZINC000809785674 615956955 /nfs/dbraw/zinc/95/69/55/615956955.db2.gz YSYQQELDTSLDBP-SNVBAGLBSA-N 2 2 282.413 0.902 20 0 CCADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@H](CC(N)=O)C2)s1 ZINC000809785674 615956958 /nfs/dbraw/zinc/95/69/58/615956958.db2.gz YSYQQELDTSLDBP-SNVBAGLBSA-N 2 2 282.413 0.902 20 0 CCADLP C[NH+](C)[C@@H](C(=O)N1CC[NH+](CCCF)CC1)C1CC1 ZINC000948759923 615971600 /nfs/dbraw/zinc/97/16/00/615971600.db2.gz MSLKIKZIPZPHPD-CYBMUJFWSA-N 2 2 271.380 0.830 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)CNc1cccc[nH+]1)C1CC1 ZINC000900282648 615974247 /nfs/dbraw/zinc/97/42/47/615974247.db2.gz KKDCKMCMMAUIJD-LBPRGKRZSA-N 2 2 262.357 0.950 20 0 CCADLP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1 ZINC000867812951 615975706 /nfs/dbraw/zinc/97/57/06/615975706.db2.gz OLZRTMQKOXNODH-PWSUYJOCSA-N 2 2 266.345 0.386 20 0 CCADLP C[NH+](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000907743272 615975892 /nfs/dbraw/zinc/97/58/92/615975892.db2.gz KVBSVKGEGZCXRS-GFCCVEGCSA-N 2 2 250.346 0.895 20 0 CCADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000869188270 615984368 /nfs/dbraw/zinc/98/43/68/615984368.db2.gz DFZLLGLANXXZNN-ISANGGDFSA-N 2 2 281.400 0.331 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H](O)C[C@@H](O)c3ccccc3)C[C@H]21 ZINC000931276363 615997810 /nfs/dbraw/zinc/99/78/10/615997810.db2.gz GENZKSZAFNBZMS-FIDHJVLJSA-N 2 2 290.407 0.963 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)C[C@@H](O)c3ccccc3)C[C@H]21 ZINC000931276363 615997811 /nfs/dbraw/zinc/99/78/11/615997811.db2.gz GENZKSZAFNBZMS-FIDHJVLJSA-N 2 2 290.407 0.963 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H]3C[C@@H]4COC[C@@H]4O3)C[C@H]21 ZINC000931278134 615998234 /nfs/dbraw/zinc/99/82/34/615998234.db2.gz VWHVNBXTSXDNND-QUGYJXMDSA-N 2 2 252.358 0.282 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H]3C[C@@H]4COC[C@@H]4O3)C[C@H]21 ZINC000931278134 615998237 /nfs/dbraw/zinc/99/82/37/615998237.db2.gz VWHVNBXTSXDNND-QUGYJXMDSA-N 2 2 252.358 0.282 20 0 CCADLP CN(C)c1cc(Cn2cc(COCC[NH3+])nn2)cc[nH+]1 ZINC000881366050 616006085 /nfs/dbraw/zinc/00/60/85/616006085.db2.gz UGVRYHHJEJVYHP-UHFFFAOYSA-N 2 2 276.344 0.263 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923390835 616076710 /nfs/dbraw/zinc/07/67/10/616076710.db2.gz YKPBCTINQXWNRG-CYBMUJFWSA-N 3 2 264.373 0.584 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923390835 616076711 /nfs/dbraw/zinc/07/67/11/616076711.db2.gz YKPBCTINQXWNRG-CYBMUJFWSA-N 3 2 264.373 0.584 20 0 CCADLP CN(CC[N@@H+]1CCC[C@@]([NH3+])(CO)C1)c1ccccc1 ZINC000923479006 616088027 /nfs/dbraw/zinc/08/80/27/616088027.db2.gz VJOLLFXWOBHVHR-HNNXBMFYSA-N 2 2 263.385 0.908 20 0 CCADLP CN(CC[N@H+]1CCC[C@@]([NH3+])(CO)C1)c1ccccc1 ZINC000923479006 616088028 /nfs/dbraw/zinc/08/80/28/616088028.db2.gz VJOLLFXWOBHVHR-HNNXBMFYSA-N 2 2 263.385 0.908 20 0 CCADLP Cn1cc(C[N@H+](C)C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)nn1 ZINC000903767396 616091243 /nfs/dbraw/zinc/09/12/43/616091243.db2.gz WMYBYVLYFYZEFX-CHWSQXEVSA-N 2 2 265.361 0.016 20 0 CCADLP Cn1cc(C[N@@H+](C)C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)nn1 ZINC000903767396 616091244 /nfs/dbraw/zinc/09/12/44/616091244.db2.gz WMYBYVLYFYZEFX-CHWSQXEVSA-N 2 2 265.361 0.016 20 0 CCADLP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000866115141 616122690 /nfs/dbraw/zinc/12/26/90/616122690.db2.gz PARZVDAYYGFEIW-YPMHNXCESA-N 2 2 280.372 0.776 20 0 CCADLP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000866115141 616122691 /nfs/dbraw/zinc/12/26/91/616122691.db2.gz PARZVDAYYGFEIW-YPMHNXCESA-N 2 2 280.372 0.776 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]CCOC1CCSCC1)C1CC1 ZINC000905707081 616131524 /nfs/dbraw/zinc/13/15/24/616131524.db2.gz XNCLQZVAOJQFNS-ZDUSSCGKSA-N 2 2 288.457 0.943 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]CCOC1CCSCC1)C1CC1 ZINC000905707081 616131527 /nfs/dbraw/zinc/13/15/27/616131527.db2.gz XNCLQZVAOJQFNS-ZDUSSCGKSA-N 2 2 288.457 0.943 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H]1COC2(CCCC2)O1)C1CC1 ZINC000819206189 616132082 /nfs/dbraw/zinc/13/20/82/616132082.db2.gz WSOYAJHAKBLBMO-UONOGXRCSA-N 2 2 284.400 0.717 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H]1COC2(CCCC2)O1)C1CC1 ZINC000819206189 616132083 /nfs/dbraw/zinc/13/20/83/616132083.db2.gz WSOYAJHAKBLBMO-UONOGXRCSA-N 2 2 284.400 0.717 20 0 CCADLP C[N@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1(C[NH3+])CCC1 ZINC000903750305 616163252 /nfs/dbraw/zinc/16/32/52/616163252.db2.gz XDBMBEUUINCJPX-OLZOCXBDSA-N 3 2 253.390 0.568 20 0 CCADLP C[N@@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1(C[NH3+])CCC1 ZINC000903750305 616163254 /nfs/dbraw/zinc/16/32/54/616163254.db2.gz XDBMBEUUINCJPX-OLZOCXBDSA-N 3 2 253.390 0.568 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NOC3CCC3)C2)CC1 ZINC000836317974 616172612 /nfs/dbraw/zinc/17/26/12/616172612.db2.gz KVZIHVFOLHFPKY-LBPRGKRZSA-N 2 2 296.415 0.938 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NOC3CCC3)C2)CC1 ZINC000836317974 616172613 /nfs/dbraw/zinc/17/26/13/616172613.db2.gz KVZIHVFOLHFPKY-LBPRGKRZSA-N 2 2 296.415 0.938 20 0 CCADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Cc1[nH]cc[nH+]1 ZINC000827898113 616187770 /nfs/dbraw/zinc/18/77/70/616187770.db2.gz FXTFFIWJLWISPS-LLVKDONJSA-N 2 2 250.346 0.752 20 0 CCADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Cc1[nH]cc[nH+]1 ZINC000827898113 616187771 /nfs/dbraw/zinc/18/77/71/616187771.db2.gz FXTFFIWJLWISPS-LLVKDONJSA-N 2 2 250.346 0.752 20 0 CCADLP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCC(=O)NC1=O ZINC000799124871 616187897 /nfs/dbraw/zinc/18/78/97/616187897.db2.gz WQFVDTYINVFDPU-GHMZBOCLSA-N 2 2 253.346 0.065 20 0 CCADLP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCC(=O)NC1=O ZINC000799124871 616187898 /nfs/dbraw/zinc/18/78/98/616187898.db2.gz WQFVDTYINVFDPU-GHMZBOCLSA-N 2 2 253.346 0.065 20 0 CCADLP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCC(=O)NC1=O ZINC000799124871 616187899 /nfs/dbraw/zinc/18/78/99/616187899.db2.gz WQFVDTYINVFDPU-GHMZBOCLSA-N 2 2 253.346 0.065 20 0 CCADLP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCC(=O)NC1=O ZINC000799124871 616187900 /nfs/dbraw/zinc/18/79/00/616187900.db2.gz WQFVDTYINVFDPU-GHMZBOCLSA-N 2 2 253.346 0.065 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC000870081694 616192027 /nfs/dbraw/zinc/19/20/27/616192027.db2.gz HQJUVWNVIURSCO-LSDHHAIUSA-N 2 2 289.379 0.959 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC000870081694 616192028 /nfs/dbraw/zinc/19/20/28/616192028.db2.gz HQJUVWNVIURSCO-LSDHHAIUSA-N 2 2 289.379 0.959 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000880502831 616194328 /nfs/dbraw/zinc/19/43/28/616194328.db2.gz UVHPZXXRHYUSHV-MGPQQGTHSA-N 2 2 295.427 0.696 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C1(C)C ZINC000880502831 616194329 /nfs/dbraw/zinc/19/43/29/616194329.db2.gz UVHPZXXRHYUSHV-MGPQQGTHSA-N 2 2 295.427 0.696 20 0 CCADLP C[N@@H+]1CCC[C@H](N2CC[NH+](CCOC(F)F)CC2)C1 ZINC000851843326 616206423 /nfs/dbraw/zinc/20/64/23/616206423.db2.gz GSTCELSKLHTUBZ-LBPRGKRZSA-N 2 2 277.359 0.937 20 0 CCADLP C[N@H+]1CCC[C@H](N2CC[NH+](CCOC(F)F)CC2)C1 ZINC000851843326 616206424 /nfs/dbraw/zinc/20/64/24/616206424.db2.gz GSTCELSKLHTUBZ-LBPRGKRZSA-N 2 2 277.359 0.937 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]CCc2ccc(F)c(F)c2)CC1 ZINC000892714786 616223533 /nfs/dbraw/zinc/22/35/33/616223533.db2.gz SDGRPVUFXZNRIT-UHFFFAOYSA-N 2 2 297.349 0.871 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902365264 616223623 /nfs/dbraw/zinc/22/36/23/616223623.db2.gz YELHQVDCLXRHEU-CYBMUJFWSA-N 3 2 282.432 0.128 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)CC1 ZINC000924840890 616223709 /nfs/dbraw/zinc/22/37/09/616223709.db2.gz YBIMDYPLTDSOGL-BFHYXJOUSA-N 2 2 263.385 0.705 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)C[C@H]1CO ZINC000913540156 616227324 /nfs/dbraw/zinc/22/73/24/616227324.db2.gz PHBTUOXFRJHDSJ-RDBSUJKOSA-N 2 2 281.400 0.138 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)C[C@H]1CO ZINC000913540156 616227325 /nfs/dbraw/zinc/22/73/25/616227325.db2.gz PHBTUOXFRJHDSJ-RDBSUJKOSA-N 2 2 281.400 0.138 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C[C@H]1CO ZINC000913540156 616227326 /nfs/dbraw/zinc/22/73/26/616227326.db2.gz PHBTUOXFRJHDSJ-RDBSUJKOSA-N 2 2 281.400 0.138 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C[C@H]1CO ZINC000913540156 616227327 /nfs/dbraw/zinc/22/73/27/616227327.db2.gz PHBTUOXFRJHDSJ-RDBSUJKOSA-N 2 2 281.400 0.138 20 0 CCADLP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[NH+](C)[C@@H](C(C)(C)C)C1 ZINC000912026472 616229042 /nfs/dbraw/zinc/22/90/42/616229042.db2.gz IFBNBUUWBGHMLJ-ZENOOKHLSA-N 2 2 297.443 0.630 20 0 CCADLP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[NH+](C)[C@@H](C(C)(C)C)C1 ZINC000912026472 616229043 /nfs/dbraw/zinc/22/90/43/616229043.db2.gz IFBNBUUWBGHMLJ-ZENOOKHLSA-N 2 2 297.443 0.630 20 0 CCADLP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[N@H+](C)[C@@H](C(C)(C)C)C1 ZINC000912026472 616229044 /nfs/dbraw/zinc/22/90/44/616229044.db2.gz IFBNBUUWBGHMLJ-ZENOOKHLSA-N 2 2 297.443 0.630 20 0 CCADLP C[NH+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CC[N@@H+](C)[C@@H](C(C)(C)C)C1 ZINC000912026472 616229045 /nfs/dbraw/zinc/22/90/45/616229045.db2.gz IFBNBUUWBGHMLJ-ZENOOKHLSA-N 2 2 297.443 0.630 20 0 CCADLP Cn1cc([C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC[NH2+]2)cn1 ZINC000913455941 616268711 /nfs/dbraw/zinc/26/87/11/616268711.db2.gz FSXAYHWISQOLTB-GXTWGEPZSA-N 2 2 291.399 0.235 20 0 CCADLP Cn1cc([C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC[NH2+]2)cn1 ZINC000913455941 616268712 /nfs/dbraw/zinc/26/87/12/616268712.db2.gz FSXAYHWISQOLTB-GXTWGEPZSA-N 2 2 291.399 0.235 20 0 CCADLP COC(=O)/C(C)=C\C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000905531889 616304234 /nfs/dbraw/zinc/30/42/34/616304234.db2.gz NWJSFZCCMYTTCJ-QJGQKNTRSA-N 2 2 256.346 0.152 20 0 CCADLP C[N@@H+]1CC[C@@H]2C[NH+](CCN3CCOC3=O)CC[C@H]21 ZINC000879572513 616334207 /nfs/dbraw/zinc/33/42/07/616334207.db2.gz YKETXSMCOZBUMC-VXGBXAGGSA-N 2 2 253.346 0.465 20 0 CCADLP C[N@H+]1CC[C@@H]2C[NH+](CCN3CCOC3=O)CC[C@H]21 ZINC000879572513 616334213 /nfs/dbraw/zinc/33/42/13/616334213.db2.gz YKETXSMCOZBUMC-VXGBXAGGSA-N 2 2 253.346 0.465 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@H+](CCN3CCOC3=O)CC[C@H]21 ZINC000879572513 616334219 /nfs/dbraw/zinc/33/42/19/616334219.db2.gz YKETXSMCOZBUMC-VXGBXAGGSA-N 2 2 253.346 0.465 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@@H+](CCN3CCOC3=O)CC[C@H]21 ZINC000879572513 616334222 /nfs/dbraw/zinc/33/42/22/616334222.db2.gz YKETXSMCOZBUMC-VXGBXAGGSA-N 2 2 253.346 0.465 20 0 CCADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000866777137 616341963 /nfs/dbraw/zinc/34/19/63/616341963.db2.gz PKYCHEUFCXQXSP-CYZMBNFOSA-N 2 2 278.356 0.386 20 0 CCADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000866777137 616341966 /nfs/dbraw/zinc/34/19/66/616341966.db2.gz PKYCHEUFCXQXSP-CYZMBNFOSA-N 2 2 278.356 0.386 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cccc3[nH]c(=O)oc32)C1 ZINC000921998119 616351201 /nfs/dbraw/zinc/35/12/01/616351201.db2.gz DDLSWPDYPFBEMB-CQSZACIVSA-N 2 2 277.324 0.690 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cccc3[nH]c(=O)oc32)C1 ZINC000921998119 616351203 /nfs/dbraw/zinc/35/12/03/616351203.db2.gz DDLSWPDYPFBEMB-CQSZACIVSA-N 2 2 277.324 0.690 20 0 CCADLP C[N@@H+]1C[C@@H]2CCN(C(=O)N[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC000894307083 616357838 /nfs/dbraw/zinc/35/78/38/616357838.db2.gz BANBDXFXKVKKST-YNEHKIRRSA-N 2 2 289.383 0.543 20 0 CCADLP C[N@H+]1C[C@@H]2CCN(C(=O)N[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC000894307083 616357843 /nfs/dbraw/zinc/35/78/43/616357843.db2.gz BANBDXFXKVKKST-YNEHKIRRSA-N 2 2 289.383 0.543 20 0 CCADLP COC/C(C)=C/C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000929513166 616373316 /nfs/dbraw/zinc/37/33/16/616373316.db2.gz QEQBZHCJMUNCKG-PJQLUOCWSA-N 2 2 295.427 0.819 20 0 CCADLP COC/C(C)=C\C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000930904720 616387146 /nfs/dbraw/zinc/38/71/46/616387146.db2.gz VDMYTAJDTYPOQR-CNTYAEFGSA-N 2 2 256.390 0.968 20 0 CCADLP COC/C(C)=C\C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000930904720 616387148 /nfs/dbraw/zinc/38/71/48/616387148.db2.gz VDMYTAJDTYPOQR-CNTYAEFGSA-N 2 2 256.390 0.968 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@@H](C)O1 ZINC000903769856 616393124 /nfs/dbraw/zinc/39/31/24/616393124.db2.gz PVQHWHOSWLPZIA-OSFYFWSMSA-N 2 2 298.383 0.017 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@@H](C)O1 ZINC000903769856 616393130 /nfs/dbraw/zinc/39/31/30/616393130.db2.gz PVQHWHOSWLPZIA-OSFYFWSMSA-N 2 2 298.383 0.017 20 0 CCADLP C[N@@H+]1C[C@]2(C)C[NH+]([C@H]3CCC(=O)NC3=O)C[C@]2(C)C1 ZINC000931313000 616397779 /nfs/dbraw/zinc/39/77/79/616397779.db2.gz XLZURSXINIPSKZ-LEWSCRJBSA-N 2 2 265.357 0.065 20 0 CCADLP C[N@H+]1C[C@]2(C)C[NH+]([C@H]3CCC(=O)NC3=O)C[C@]2(C)C1 ZINC000931313000 616397782 /nfs/dbraw/zinc/39/77/82/616397782.db2.gz XLZURSXINIPSKZ-LEWSCRJBSA-N 2 2 265.357 0.065 20 0 CCADLP C[NH+]1C[C@]2(C)C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@]2(C)C1 ZINC000931313000 616397787 /nfs/dbraw/zinc/39/77/87/616397787.db2.gz XLZURSXINIPSKZ-LEWSCRJBSA-N 2 2 265.357 0.065 20 0 CCADLP C[NH+]1C[C@]2(C)C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@]2(C)C1 ZINC000931313000 616397789 /nfs/dbraw/zinc/39/77/89/616397789.db2.gz XLZURSXINIPSKZ-LEWSCRJBSA-N 2 2 265.357 0.065 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000947863018 616416176 /nfs/dbraw/zinc/41/61/76/616416176.db2.gz VXDBUADQCQQNAS-NEPJUHHUSA-N 2 2 280.372 0.568 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC000947863018 616416179 /nfs/dbraw/zinc/41/61/79/616416179.db2.gz VXDBUADQCQQNAS-NEPJUHHUSA-N 2 2 280.372 0.568 20 0 CCADLP COC(=O)[C@@H]1[C@@H](C[NH2+]CC(C)(C)[NH+](C)C)C1(F)F ZINC000894146765 616504842 /nfs/dbraw/zinc/50/48/42/616504842.db2.gz WFJUAJVAWGSMHS-BDAKNGLRSA-N 2 2 264.316 0.971 20 0 CCADLP C[NH+]1C[C@]2(C)C[NH+](C[C@H](O)C3(O)CCOCC3)C[C@@]2(C)C1 ZINC000931316700 616513753 /nfs/dbraw/zinc/51/37/53/616513753.db2.gz JPOATTUWNWAFRL-RRFJBIMHSA-N 2 2 298.427 0.162 20 0 CCADLP C[NH+]1C[C@]2(C)C[NH+](CCCOC(=O)NC(N)=O)C[C@@]2(C)C1 ZINC000931312311 616513954 /nfs/dbraw/zinc/51/39/54/616513954.db2.gz SGNSNUZRZIBHIH-ZIAGYGMSSA-N 2 2 298.387 0.455 20 0 CCADLP COC(=O)[C@H]1[C@@H]2C[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C[C@@H]21 ZINC000852074723 616526541 /nfs/dbraw/zinc/52/65/41/616526541.db2.gz FHAPIXXXWNPFJC-NDBYEHHHSA-N 2 2 270.373 0.038 20 0 CCADLP COC(=O)[C@H]1[C@@H]2C[N@H+](C[C@H](O)C[NH+](C)C(C)C)C[C@@H]21 ZINC000852074723 616526543 /nfs/dbraw/zinc/52/65/43/616526543.db2.gz FHAPIXXXWNPFJC-NDBYEHHHSA-N 2 2 270.373 0.038 20 0 CCADLP COC(=O)[C@H]1[C@@H]2C[NH+](C[C@H](O)C[N@H+](C)C(C)C)C[C@@H]21 ZINC000852074723 616526545 /nfs/dbraw/zinc/52/65/45/616526545.db2.gz FHAPIXXXWNPFJC-NDBYEHHHSA-N 2 2 270.373 0.038 20 0 CCADLP COC(=O)[C@H]1[C@@H]2C[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C[C@@H]21 ZINC000852074723 616526547 /nfs/dbraw/zinc/52/65/47/616526547.db2.gz FHAPIXXXWNPFJC-NDBYEHHHSA-N 2 2 270.373 0.038 20 0 CCADLP COC(=O)CC[N@H+](C[C@@H]1C[NH2+]CCO1)C1CCOCC1 ZINC000852750251 616552249 /nfs/dbraw/zinc/55/22/49/616552249.db2.gz PNHNQBKJJILGKP-ZDUSSCGKSA-N 2 2 286.372 0.019 20 0 CCADLP COC(=O)CC[N@@H+](C[C@@H]1C[NH2+]CCO1)C1CCOCC1 ZINC000852750251 616552250 /nfs/dbraw/zinc/55/22/50/616552250.db2.gz PNHNQBKJJILGKP-ZDUSSCGKSA-N 2 2 286.372 0.019 20 0 CCADLP COCCOCCOCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903769459 616553763 /nfs/dbraw/zinc/55/37/63/616553763.db2.gz GNLJMDXSDGNZDE-ZDUSSCGKSA-N 2 2 272.389 0.540 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CC2CC2)C[C@@H]1C ZINC000884331734 616555024 /nfs/dbraw/zinc/55/50/24/616555024.db2.gz WDVBIIXDALPVOG-AAEUAGOBSA-N 2 2 297.399 0.210 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]([NH3+])CC2CC2)C[C@@H]1C ZINC000884331734 616555026 /nfs/dbraw/zinc/55/50/26/616555026.db2.gz WDVBIIXDALPVOG-AAEUAGOBSA-N 2 2 297.399 0.210 20 0 CCADLP COCCS(=O)(=O)CCC[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000843353126 616605309 /nfs/dbraw/zinc/60/53/09/616605309.db2.gz CKHJKFHEBFPPKQ-OLZOCXBDSA-N 2 2 292.445 0.497 20 0 CCADLP COCCS(=O)(=O)CCC[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000843353126 616605311 /nfs/dbraw/zinc/60/53/11/616605311.db2.gz CKHJKFHEBFPPKQ-OLZOCXBDSA-N 2 2 292.445 0.497 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000923398731 616627607 /nfs/dbraw/zinc/62/76/07/616627607.db2.gz LOSJVHLZFLWNCS-XQQFMLRXSA-N 2 2 272.389 0.273 20 0 CCADLP COCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000884210617 616672711 /nfs/dbraw/zinc/67/27/11/616672711.db2.gz FWOGCXUDZWJZGD-KBPBESRZSA-N 2 2 299.415 0.064 20 0 CCADLP CO[C@@H]1C[N@H+](C[C@H](O)COCC(C)C)[C@@](C)(C[NH3+])C1 ZINC000923410428 616774229 /nfs/dbraw/zinc/77/42/29/616774229.db2.gz HLXZSIBBFFEOKW-MELADBBJSA-N 2 2 274.405 0.458 20 0 CCADLP CO[C@@H]1C[N@@H+](C[C@H](O)COCC(C)C)[C@@](C)(C[NH3+])C1 ZINC000923410428 616774234 /nfs/dbraw/zinc/77/42/34/616774234.db2.gz HLXZSIBBFFEOKW-MELADBBJSA-N 2 2 274.405 0.458 20 0 CCADLP COCCC[N@H+](C)CC[NH2+][C@@H](C)C[C@@H]1CCC(=O)N1 ZINC000925140788 616876401 /nfs/dbraw/zinc/87/64/01/616876401.db2.gz AIQZGXBDBRTTQD-STQMWFEESA-N 2 2 271.405 0.602 20 0 CCADLP COCCC[N@@H+](C)CC[NH2+][C@@H](C)C[C@@H]1CCC(=O)N1 ZINC000925140788 616876402 /nfs/dbraw/zinc/87/64/02/616876402.db2.gz AIQZGXBDBRTTQD-STQMWFEESA-N 2 2 271.405 0.602 20 0 CCADLP COCCC[N@H+](C)CC[NH2+][C@H](C)C[C@H]1CCC(=O)N1 ZINC000925140779 616878154 /nfs/dbraw/zinc/87/81/54/616878154.db2.gz AIQZGXBDBRTTQD-CHWSQXEVSA-N 2 2 271.405 0.602 20 0 CCADLP COCCC[N@@H+](C)CC[NH2+][C@H](C)C[C@H]1CCC(=O)N1 ZINC000925140779 616878156 /nfs/dbraw/zinc/87/81/56/616878156.db2.gz AIQZGXBDBRTTQD-CHWSQXEVSA-N 2 2 271.405 0.602 20 0 CCADLP COCC[N@H+](C)CCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925545102 616956183 /nfs/dbraw/zinc/95/61/83/616956183.db2.gz XEZQRUMQEZAEAK-OLZOCXBDSA-N 3 2 255.406 0.814 20 0 CCADLP COCC[N@@H+](C)CCC[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925545102 616956187 /nfs/dbraw/zinc/95/61/87/616956187.db2.gz XEZQRUMQEZAEAK-OLZOCXBDSA-N 3 2 255.406 0.814 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+](CCS(=O)(=O)Nc2ccccc2)C1 ZINC000903716387 617000671 /nfs/dbraw/zinc/00/06/71/617000671.db2.gz LVPDUNNMBBKQPV-CYBMUJFWSA-N 2 2 297.424 0.970 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+](CCS(=O)(=O)Nc2ccccc2)C1 ZINC000903716387 617000677 /nfs/dbraw/zinc/00/06/77/617000677.db2.gz LVPDUNNMBBKQPV-CYBMUJFWSA-N 2 2 297.424 0.970 20 0 CCADLP CON(C)C(=O)CC[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880135927 617011654 /nfs/dbraw/zinc/01/16/54/617011654.db2.gz BYZQUUHQCDZMGU-RYUDHWBXSA-N 2 2 255.362 0.565 20 0 CCADLP CON(C)C(=O)CC[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880135927 617011660 /nfs/dbraw/zinc/01/16/60/617011660.db2.gz BYZQUUHQCDZMGU-RYUDHWBXSA-N 2 2 255.362 0.565 20 0 CCADLP CON(C)C(=O)CC[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880135927 617011666 /nfs/dbraw/zinc/01/16/66/617011666.db2.gz BYZQUUHQCDZMGU-RYUDHWBXSA-N 2 2 255.362 0.565 20 0 CCADLP CON(C)C(=O)CC[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880135927 617011672 /nfs/dbraw/zinc/01/16/72/617011672.db2.gz BYZQUUHQCDZMGU-RYUDHWBXSA-N 2 2 255.362 0.565 20 0 CCADLP COCC[N@@H+](Cc1ncnn1C)CC1CC[NH+](C)CC1 ZINC000877664866 617029779 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CON1CC[C@@H]([N@@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)C1=O ZINC000931764985 617093662 /nfs/dbraw/zinc/09/36/62/617093662.db2.gz USNBRUSGHQAYHD-GXTWGEPZSA-N 2 2 290.367 0.754 20 0 CCADLP CON1CC[C@@H]([N@H+]2CCN(c3cc[nH+]cc3)C[C@@H]2C)C1=O ZINC000931764985 617093664 /nfs/dbraw/zinc/09/36/64/617093664.db2.gz USNBRUSGHQAYHD-GXTWGEPZSA-N 2 2 290.367 0.754 20 0 CCADLP CON1CC[C@@H]([N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1=O ZINC000930095557 617094214 /nfs/dbraw/zinc/09/42/14/617094214.db2.gz YIFIWHOSQJCABZ-GHMZBOCLSA-N 2 2 264.329 0.372 20 0 CCADLP CON1CC[C@@H]([N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)C1=O ZINC000930095557 617094216 /nfs/dbraw/zinc/09/42/16/617094216.db2.gz YIFIWHOSQJCABZ-GHMZBOCLSA-N 2 2 264.329 0.372 20 0 CCADLP CON1CC[C@H]([NH+]2CCC(n3cc[nH+]c3)CC2)C1=O ZINC000929803863 617097688 /nfs/dbraw/zinc/09/76/88/617097688.db2.gz PFNCPEHBWGGDSC-LBPRGKRZSA-N 2 2 264.329 0.682 20 0 CCADLP CO[C@H]1C[N@H+](Cc2[nH]c(C)[nH+]c2C)[C@@](C)(CO)C1 ZINC000931469904 617111343 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CCADLP O=C(CCc1c[nH+]c[nH]1)N1C[C@@H]2CC[C@H]([NH2+]CCO)[C@H]2C1 ZINC001026282070 625387047 /nfs/dbraw/zinc/38/70/47/625387047.db2.gz NHYADZLWGSQYQF-UBHSHLNASA-N 2 2 292.383 0.161 20 0 CCADLP Cc1cc(N)nc(N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)[nH+]1 ZINC000893257866 625403500 /nfs/dbraw/zinc/40/35/00/625403500.db2.gz BIYNAMDRFQYZQY-WDEREUQCSA-N 2 2 265.361 0.259 20 0 CCADLP Cc1cc(N)nc(N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)[nH+]1 ZINC000893257866 625403501 /nfs/dbraw/zinc/40/35/01/625403501.db2.gz BIYNAMDRFQYZQY-WDEREUQCSA-N 2 2 265.361 0.259 20 0 CCADLP Cc1cc(N)nc(N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)[nH+]1 ZINC000893257863 625403545 /nfs/dbraw/zinc/40/35/45/625403545.db2.gz BIYNAMDRFQYZQY-GHMZBOCLSA-N 2 2 265.361 0.259 20 0 CCADLP Cc1cc(N)nc(N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)[nH+]1 ZINC000893257863 625403547 /nfs/dbraw/zinc/40/35/47/625403547.db2.gz BIYNAMDRFQYZQY-GHMZBOCLSA-N 2 2 265.361 0.259 20 0 CCADLP CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001026387484 625423845 /nfs/dbraw/zinc/42/38/45/625423845.db2.gz BESJNRFWQMRXAB-QJPTWQEYSA-N 2 2 262.357 0.799 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000892168791 622635215 /nfs/dbraw/zinc/63/52/15/622635215.db2.gz GVIMLUACFPEYRT-ZJUUUORDSA-N 2 2 251.334 0.347 20 0 CCADLP Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)cn1 ZINC001022774786 622742425 /nfs/dbraw/zinc/74/24/25/622742425.db2.gz DGFMSVOPDXJJJI-TXEJJXNPSA-N 2 2 288.355 0.123 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC001023161220 622931427 /nfs/dbraw/zinc/93/14/27/622931427.db2.gz SEIWEUKTACDZOR-MJBXVCDLSA-N 2 2 292.383 0.689 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001023161243 622931617 /nfs/dbraw/zinc/93/16/17/622931617.db2.gz SVYGNINPJHZXET-RWMBFGLXSA-N 2 2 278.356 0.156 20 0 CCADLP Cn1nccc1C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001023159030 622931855 /nfs/dbraw/zinc/93/18/55/622931855.db2.gz NQFYILSLNRAYJU-TXEJJXNPSA-N 2 2 288.355 0.054 20 0 CCADLP CC(C)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001023161106 622936161 /nfs/dbraw/zinc/93/61/61/622936161.db2.gz OYYDQZVDDWLSGQ-TXEJJXNPSA-N 2 2 250.346 0.776 20 0 CCADLP [NH3+][C@H](CC1CC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000312773501 625613206 /nfs/dbraw/zinc/61/32/06/625613206.db2.gz NFNKVMCGVDFYHW-CYBMUJFWSA-N 2 2 274.368 0.858 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)N2CC[C@@H]3C[NH+](C)C[C@@H]32)CCO1 ZINC000892595716 623571377 /nfs/dbraw/zinc/57/13/77/623571377.db2.gz JEDCHOYUXOXJQN-MCIONIFRSA-N 2 2 296.415 0.053 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)N2CC[C@@H]3C[NH+](C)C[C@@H]32)CCO1 ZINC000892595716 623571381 /nfs/dbraw/zinc/57/13/81/623571381.db2.gz JEDCHOYUXOXJQN-MCIONIFRSA-N 2 2 296.415 0.053 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)CCO1 ZINC000892595716 623571384 /nfs/dbraw/zinc/57/13/84/623571384.db2.gz JEDCHOYUXOXJQN-MCIONIFRSA-N 2 2 296.415 0.053 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)CCO1 ZINC000892595716 623571387 /nfs/dbraw/zinc/57/13/87/623571387.db2.gz JEDCHOYUXOXJQN-MCIONIFRSA-N 2 2 296.415 0.053 20 0 CCADLP c1[nH+]cn2ccnc(N3CC[C@@H](C[NH+]4CCOCC4)C3)c12 ZINC000892679718 623695948 /nfs/dbraw/zinc/69/59/48/623695948.db2.gz HWJAWSNLTXHBSZ-ZDUSSCGKSA-N 2 2 287.367 0.888 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([NH2+]Cc2cnns2)C1 ZINC001019438737 623827946 /nfs/dbraw/zinc/82/79/46/623827946.db2.gz STGWVCMDIRHRBI-VIFPVBQESA-N 2 2 292.368 0.194 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cnon2)C1 ZINC001020397818 624466364 /nfs/dbraw/zinc/46/63/64/624466364.db2.gz CNTLOFBVLRDHNU-XYPYZODXSA-N 2 2 290.327 0.012 20 0 CCADLP CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC001020434800 624477084 /nfs/dbraw/zinc/47/70/84/624477084.db2.gz NRRREUVMSOQVEV-KKUMJFAQSA-N 2 2 295.427 0.744 20 0 CCADLP CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC001020434800 624477086 /nfs/dbraw/zinc/47/70/86/624477086.db2.gz NRRREUVMSOQVEV-KKUMJFAQSA-N 2 2 295.427 0.744 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+](CCF)C1 ZINC000969409317 624497996 /nfs/dbraw/zinc/49/79/96/624497996.db2.gz AJBFWDNNJHCEDI-CMPLNLGQSA-N 2 2 257.353 0.487 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1C[NH+](CCF)C1 ZINC000969409317 624497998 /nfs/dbraw/zinc/49/79/98/624497998.db2.gz AJBFWDNNJHCEDI-CMPLNLGQSA-N 2 2 257.353 0.487 20 0 CCADLP Cc1ncoc1C[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001020819190 624606954 /nfs/dbraw/zinc/60/69/54/624606954.db2.gz RXRBNXKJERBWJR-XYPYZODXSA-N 2 2 289.339 0.686 20 0 CCADLP C[C@H]1CC[C@@H](C[NH2+][C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)O1 ZINC001021126182 624662405 /nfs/dbraw/zinc/66/24/05/624662405.db2.gz HLHWGZCKFPVGLK-XUXIUFHCSA-N 2 2 292.383 0.687 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]Cc2cnns2)C1 ZINC001021126379 624662787 /nfs/dbraw/zinc/66/27/87/624662787.db2.gz LWZFCOXMJAHDIW-MGCOHNPYSA-N 2 2 292.368 0.172 20 0 CCADLP C[C@@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](C)[NH+]1CCOCC1 ZINC000891515596 624881107 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CCADLP C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000971989813 625046725 /nfs/dbraw/zinc/04/67/25/625046725.db2.gz RCISPSPMAXGCBI-OLZOCXBDSA-N 2 2 294.399 0.266 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H](C[NH2+]Cc2ccccn2)C1 ZINC001027246579 625767015 /nfs/dbraw/zinc/76/70/15/625767015.db2.gz ZXTKRBLVJVZIDV-CQSZACIVSA-N 2 2 299.378 0.916 20 0 CCADLP CC(C)[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027246180 625767804 /nfs/dbraw/zinc/76/78/04/625767804.db2.gz QVKVOOKZQHVTMJ-LBPRGKRZSA-N 2 2 250.346 0.730 20 0 CCADLP C[N@H+](CCF)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001027346200 625842790 /nfs/dbraw/zinc/84/27/90/625842790.db2.gz CWKCFQLJHDDUSN-CHWSQXEVSA-N 2 2 287.379 0.209 20 0 CCADLP C[N@@H+](CCF)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001027346200 625842791 /nfs/dbraw/zinc/84/27/91/625842791.db2.gz CWKCFQLJHDDUSN-CHWSQXEVSA-N 2 2 287.379 0.209 20 0 CCADLP C[NH+](CCF)[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001027346200 625842792 /nfs/dbraw/zinc/84/27/92/625842792.db2.gz CWKCFQLJHDDUSN-CHWSQXEVSA-N 2 2 287.379 0.209 20 0 CCADLP C[NH+](CCF)[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001027346200 625842793 /nfs/dbraw/zinc/84/27/93/625842793.db2.gz CWKCFQLJHDDUSN-CHWSQXEVSA-N 2 2 287.379 0.209 20 0 CCADLP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](C[C@H]3CCC[NH2+]3)CC2)C1 ZINC000903459983 634565244 /nfs/dbraw/zinc/56/52/44/634565244.db2.gz SVFMOSJVDADIKI-RRFJBIMHSA-N 3 2 267.417 0.957 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CCc2ccns2)C1 ZINC000903448239 634570450 /nfs/dbraw/zinc/57/04/50/634570450.db2.gz ALNJFNZRWFLKTD-LBPRGKRZSA-N 2 2 294.424 0.582 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CCc2ccns2)C1 ZINC000903448239 634570460 /nfs/dbraw/zinc/57/04/60/634570460.db2.gz ALNJFNZRWFLKTD-LBPRGKRZSA-N 2 2 294.424 0.582 20 0 CCADLP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)CS(C)(=O)=O ZINC000903470274 634572595 /nfs/dbraw/zinc/57/25/95/634572595.db2.gz JIIKYWSSOBYXMS-WDEREUQCSA-N 2 2 260.403 0.541 20 0 CCADLP C[C@H]1CN(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)CCO1 ZINC000903483010 634578091 /nfs/dbraw/zinc/57/80/91/634578091.db2.gz AZVLKAAWNWQSNM-KBPBESRZSA-N 2 2 267.417 0.971 20 0 CCADLP C[C@@]1(C2CC[NH+](C[C@H]3CCC[NH2+]3)CC2)COC(=O)N1 ZINC000903563863 634608744 /nfs/dbraw/zinc/60/87/44/634608744.db2.gz LTMHQZVQUVKTHF-OCCSQVGLSA-N 2 2 267.373 0.949 20 0 CCADLP O=C1C[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCN1C1CC1 ZINC000903730087 634631991 /nfs/dbraw/zinc/63/19/91/634631991.db2.gz UDMHZHGDOGNIOT-DZGCQCFKSA-N 2 2 279.384 0.062 20 0 CCADLP O=C1C[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCN1C1CC1 ZINC000903730087 634631992 /nfs/dbraw/zinc/63/19/92/634631992.db2.gz UDMHZHGDOGNIOT-DZGCQCFKSA-N 2 2 279.384 0.062 20 0 CCADLP O=C1C[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCN1C1CC1 ZINC000903730090 634632079 /nfs/dbraw/zinc/63/20/79/634632079.db2.gz UDMHZHGDOGNIOT-ZFWWWQNUSA-N 2 2 279.384 0.062 20 0 CCADLP O=C1C[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCN1C1CC1 ZINC000903730090 634632082 /nfs/dbraw/zinc/63/20/82/634632082.db2.gz UDMHZHGDOGNIOT-ZFWWWQNUSA-N 2 2 279.384 0.062 20 0 CCADLP [NH3+]CC12CCC(CC1)C[N@@H+]2C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903767595 634643531 /nfs/dbraw/zinc/64/35/31/634643531.db2.gz IOLDTEYQNDXGJI-PYBGIAKNSA-N 3 2 279.428 0.958 20 0 CCADLP [NH3+]CC12CCC(CC1)C[N@H+]2C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903767595 634643534 /nfs/dbraw/zinc/64/35/34/634643534.db2.gz IOLDTEYQNDXGJI-PYBGIAKNSA-N 3 2 279.428 0.958 20 0 CCADLP [NH3+]CC12CCC(CC1)C[N@@H+]2C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000903768407 634643784 /nfs/dbraw/zinc/64/37/84/634643784.db2.gz MPOCVPHVLZKKDE-IUWDBWQKSA-N 2 2 266.385 0.994 20 0 CCADLP [NH3+]CC12CCC(CC1)C[N@H+]2C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000903768407 634643788 /nfs/dbraw/zinc/64/37/88/634643788.db2.gz MPOCVPHVLZKKDE-IUWDBWQKSA-N 2 2 266.385 0.994 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903778165 634649949 /nfs/dbraw/zinc/64/99/49/634649949.db2.gz JRCNSRDLDPLOEF-JHJVBQTASA-N 3 2 253.390 0.567 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903778165 634649951 /nfs/dbraw/zinc/64/99/51/634649951.db2.gz JRCNSRDLDPLOEF-JHJVBQTASA-N 3 2 253.390 0.567 20 0 CCADLP Cn1cnnc1N1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903769025 634644687 /nfs/dbraw/zinc/64/46/87/634644687.db2.gz XWVGKAXZJQQTNP-CYBMUJFWSA-N 2 2 278.404 0.327 20 0 CCADLP Cn1nccc1C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818955 634657330 /nfs/dbraw/zinc/65/73/30/634657330.db2.gz ZPSQYZBVNWABRM-UHFFFAOYSA-N 2 2 264.373 0.765 20 0 CCADLP Cn1nccc1C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903818955 634657334 /nfs/dbraw/zinc/65/73/34/634657334.db2.gz ZPSQYZBVNWABRM-UHFFFAOYSA-N 2 2 264.373 0.765 20 0 CCADLP NC(=O)CC[C@H]1CCC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903888935 634671876 /nfs/dbraw/zinc/67/18/76/634671876.db2.gz NDROLDMDYJQWAA-ZJUUUORDSA-N 2 2 263.332 0.946 20 0 CCADLP NC(=O)CC[C@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903888935 634671878 /nfs/dbraw/zinc/67/18/78/634671878.db2.gz NDROLDMDYJQWAA-ZJUUUORDSA-N 2 2 263.332 0.946 20 0 CCADLP O[C@@H](COC1CCOCC1)C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903872456 634672667 /nfs/dbraw/zinc/67/26/67/634672667.db2.gz ZZLUPWRDJAYPLV-HIFRSBDPSA-N 2 2 284.400 0.371 20 0 CCADLP O[C@@H](COC1CCOCC1)C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903872456 634672670 /nfs/dbraw/zinc/67/26/70/634672670.db2.gz ZZLUPWRDJAYPLV-HIFRSBDPSA-N 2 2 284.400 0.371 20 0 CCADLP [NH3+]C[C@H]([NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)C1CCCC1 ZINC000903920044 634686342 /nfs/dbraw/zinc/68/63/42/634686342.db2.gz RQLMYKPHGOROQR-ZFWWWQNUSA-N 3 2 292.431 0.810 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903919028 634687094 /nfs/dbraw/zinc/68/70/94/634687094.db2.gz KLNQRWLDIVKKPU-MBNYWOFBSA-N 3 2 278.404 0.290 20 0 CCADLP c1cn(CCC[NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)c[nH+]1 ZINC000903925479 634688284 /nfs/dbraw/zinc/68/82/84/634688284.db2.gz NJFVOFQIVHPUAR-ZDUSSCGKSA-N 3 2 289.387 0.579 20 0 CCADLP Cc1cccn2c(CN3CCC[C@@]([NH3+])(CO)C3)c[nH+]c12 ZINC000904401715 634742703 /nfs/dbraw/zinc/74/27/03/634742703.db2.gz KQYULFUVRGLTPH-HNNXBMFYSA-N 2 2 274.368 0.928 20 0 CCADLP OCC1(C[C@H](O)C[NH2+]CCn2cc[nH+]c2)CCCC1 ZINC000905035129 634779971 /nfs/dbraw/zinc/77/99/71/634779971.db2.gz MQLBDMRVGFOJHJ-ZDUSSCGKSA-N 2 2 267.373 0.776 20 0 CCADLP O[C@H](C[NH2+]CCCNc1cccc[nH+]1)C1(O)CCC1 ZINC000905128802 634804921 /nfs/dbraw/zinc/80/49/21/634804921.db2.gz UVJNBTZZYLFWDL-GFCCVEGCSA-N 2 2 265.357 0.749 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CCC[C@H]([N@H+](C)CCO)C1 ZINC001027666550 630842648 /nfs/dbraw/zinc/84/26/48/630842648.db2.gz GOUPDLCUZGVCCU-AWEZNQCLSA-N 2 2 294.399 0.268 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CCC[C@H]([N@@H+](C)CCO)C1 ZINC001027666550 630842653 /nfs/dbraw/zinc/84/26/53/630842653.db2.gz GOUPDLCUZGVCCU-AWEZNQCLSA-N 2 2 294.399 0.268 20 0 CCADLP C[C@H]([NH2+]CC1CC1)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC000979424334 630923834 /nfs/dbraw/zinc/92/38/34/630923834.db2.gz DNUOLCDYQNPLIG-WCQYABFASA-N 2 2 292.383 0.568 20 0 CCADLP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[NH+](CCF)CC1 ZINC000981953454 631345923 /nfs/dbraw/zinc/34/59/23/631345923.db2.gz NVFBSPMBZROFAQ-CYBMUJFWSA-N 2 2 271.380 0.975 20 0 CCADLP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[NH+](CCF)CC1 ZINC000981953454 631345927 /nfs/dbraw/zinc/34/59/27/631345927.db2.gz NVFBSPMBZROFAQ-CYBMUJFWSA-N 2 2 271.380 0.975 20 0 CCADLP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[N@H+](CCF)CC1 ZINC000981953454 631345930 /nfs/dbraw/zinc/34/59/30/631345930.db2.gz NVFBSPMBZROFAQ-CYBMUJFWSA-N 2 2 271.380 0.975 20 0 CCADLP C[C@@H]1CCC[NH+]1CC(=O)N1CCC[N@@H+](CCF)CC1 ZINC000981953454 631345932 /nfs/dbraw/zinc/34/59/32/631345932.db2.gz NVFBSPMBZROFAQ-CYBMUJFWSA-N 2 2 271.380 0.975 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000982052008 631372373 /nfs/dbraw/zinc/37/23/73/631372373.db2.gz SYCOOGDUAFOWHH-ZIAGYGMSSA-N 2 2 294.399 0.749 20 0 CCADLP C[C@@H](O)C[N@H+]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC000982052008 631372379 /nfs/dbraw/zinc/37/23/79/631372379.db2.gz SYCOOGDUAFOWHH-ZIAGYGMSSA-N 2 2 294.399 0.749 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925851370 631399535 /nfs/dbraw/zinc/39/95/35/631399535.db2.gz YETRAWSTZDBIIX-XQQFMLRXSA-N 3 2 281.400 0.402 20 0 CCADLP CN1C(=O)CN(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)C1=O ZINC000245917721 631517714 /nfs/dbraw/zinc/51/77/14/631517714.db2.gz QGNJJHYRMYAVFE-NWDGAFQWSA-N 2 2 280.372 0.254 20 0 CCADLP CN1C(=O)CN(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)C1=O ZINC000245917721 631517719 /nfs/dbraw/zinc/51/77/19/631517719.db2.gz QGNJJHYRMYAVFE-NWDGAFQWSA-N 2 2 280.372 0.254 20 0 CCADLP CN1C(=O)CN(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)C1=O ZINC000245917721 631517729 /nfs/dbraw/zinc/51/77/29/631517729.db2.gz QGNJJHYRMYAVFE-NWDGAFQWSA-N 2 2 280.372 0.254 20 0 CCADLP CN1C(=O)CN(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)C1=O ZINC000245917721 631517734 /nfs/dbraw/zinc/51/77/34/631517734.db2.gz QGNJJHYRMYAVFE-NWDGAFQWSA-N 2 2 280.372 0.254 20 0 CCADLP C[C@H]1CC[N@H+](CCF)C[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000968647584 650025237 /nfs/dbraw/zinc/02/52/37/650025237.db2.gz MVXIMONIDOBEFZ-STQMWFEESA-N 2 2 271.380 0.878 20 0 CCADLP C[C@H]1CC[N@@H+](CCF)C[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000968647584 650025238 /nfs/dbraw/zinc/02/52/38/650025238.db2.gz MVXIMONIDOBEFZ-STQMWFEESA-N 2 2 271.380 0.878 20 0 CCADLP Cc1cc(N)nc(NCC[N@H+]2C[C@H](C)OC[C@@H]2C)[nH+]1 ZINC000894521237 631781488 /nfs/dbraw/zinc/78/14/88/631781488.db2.gz KZXRJICATQFJKH-QWRGUYRKSA-N 2 2 265.361 0.888 20 0 CCADLP Cc1cc(N)nc(NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)[nH+]1 ZINC000894521237 631781492 /nfs/dbraw/zinc/78/14/92/631781492.db2.gz KZXRJICATQFJKH-QWRGUYRKSA-N 2 2 265.361 0.888 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000985693667 632621935 /nfs/dbraw/zinc/62/19/35/632621935.db2.gz DDDWOFAUDJALRI-GFCCVEGCSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000985693667 632621944 /nfs/dbraw/zinc/62/19/44/632621944.db2.gz DDDWOFAUDJALRI-GFCCVEGCSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000985693667 632621954 /nfs/dbraw/zinc/62/19/54/632621954.db2.gz DDDWOFAUDJALRI-GFCCVEGCSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000985693667 632621962 /nfs/dbraw/zinc/62/19/62/632621962.db2.gz DDDWOFAUDJALRI-GFCCVEGCSA-N 2 2 294.399 0.503 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC000986344771 632748308 /nfs/dbraw/zinc/74/83/08/632748308.db2.gz QCDBLMDKHMNYBT-JQWIXIFHSA-N 2 2 250.346 0.941 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC000986344771 632748314 /nfs/dbraw/zinc/74/83/14/632748314.db2.gz QCDBLMDKHMNYBT-JQWIXIFHSA-N 2 2 250.346 0.941 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@]2(O)CC[N@@H+](C)C2)c[nH+]1 ZINC000897397633 632781162 /nfs/dbraw/zinc/78/11/62/632781162.db2.gz FAYHNHKIUPTDSJ-CQSZACIVSA-N 2 2 280.372 0.109 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@]2(O)CC[N@H+](C)C2)c[nH+]1 ZINC000897397633 632781165 /nfs/dbraw/zinc/78/11/65/632781165.db2.gz FAYHNHKIUPTDSJ-CQSZACIVSA-N 2 2 280.372 0.109 20 0 CCADLP C[NH2+]C[C@H]1CCCC[N@@H+]1C[C@@H](O)COCCOC ZINC000234393233 632823086 /nfs/dbraw/zinc/82/30/86/632823086.db2.gz VBUXPWBFQSODPZ-CHWSQXEVSA-N 2 2 260.378 0.084 20 0 CCADLP C[NH2+]C[C@H]1CCCC[N@H+]1C[C@@H](O)COCCOC ZINC000234393233 632823088 /nfs/dbraw/zinc/82/30/88/632823088.db2.gz VBUXPWBFQSODPZ-CHWSQXEVSA-N 2 2 260.378 0.084 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H]1C ZINC000987348996 632859962 /nfs/dbraw/zinc/85/99/62/632859962.db2.gz RKVKGYFQABDKPR-CMPLNLGQSA-N 2 2 250.346 0.562 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)[C@H]1C ZINC000987433064 632868563 /nfs/dbraw/zinc/86/85/63/632868563.db2.gz KOURPKNMMXMOGE-WCQYABFASA-N 2 2 264.373 0.952 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCO)CN1C(=O)c1cccc2[nH+]ccn21 ZINC000989169640 633162784 /nfs/dbraw/zinc/16/27/84/633162784.db2.gz KEJXSJXUELBHHY-VXGBXAGGSA-N 2 2 288.351 0.519 20 0 CCADLP CC[C@@H](C[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1)OC ZINC000989787930 633354917 /nfs/dbraw/zinc/35/49/17/633354917.db2.gz ZMZZOORJLXHDGN-AWEZNQCLSA-N 2 2 294.399 0.842 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]Cc2cnon2)CN1C(=O)C[NH+]1CCCC1 ZINC000989799053 633355986 /nfs/dbraw/zinc/35/59/86/633355986.db2.gz IZOLYXAAVXZLEC-NWDGAFQWSA-N 2 2 293.371 0.244 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCC[NH+](CCF)C2)C1 ZINC001008536772 650119468 /nfs/dbraw/zinc/11/94/68/650119468.db2.gz AQXPFEQSCGWJGL-QWHCGFSZSA-N 2 2 271.380 0.878 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCC[NH+](CCF)C2)C1 ZINC001008536772 650119469 /nfs/dbraw/zinc/11/94/69/650119469.db2.gz AQXPFEQSCGWJGL-QWHCGFSZSA-N 2 2 271.380 0.878 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](CCF)C2)C1 ZINC001008536772 650119470 /nfs/dbraw/zinc/11/94/70/650119470.db2.gz AQXPFEQSCGWJGL-QWHCGFSZSA-N 2 2 271.380 0.878 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](CCF)C2)C1 ZINC001008536772 650119471 /nfs/dbraw/zinc/11/94/71/650119471.db2.gz AQXPFEQSCGWJGL-QWHCGFSZSA-N 2 2 271.380 0.878 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)C12CC[NH+](CC1)C2 ZINC000900556725 634047915 /nfs/dbraw/zinc/04/79/15/634047915.db2.gz OOYQDUJLNFJBLN-UHFFFAOYSA-N 2 2 281.400 0.309 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)C12CC[NH+](CC1)C2 ZINC000900556725 634047921 /nfs/dbraw/zinc/04/79/21/634047921.db2.gz OOYQDUJLNFJBLN-UHFFFAOYSA-N 2 2 281.400 0.309 20 0 CCADLP O=C(N1CC[NH+]([C@H]2CCOC2)CC1)C12CC[NH+](CC1)C2 ZINC000901036120 634160528 /nfs/dbraw/zinc/16/05/28/634160528.db2.gz QEJVLZQTRUOACV-ZDUSSCGKSA-N 2 2 279.384 0.015 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2nccs2)CC1 ZINC000905293365 634834700 /nfs/dbraw/zinc/83/47/00/634834700.db2.gz HAIKIOCFWRTSQL-UHFFFAOYSA-N 2 2 269.374 0.688 20 0 CCADLP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000907805755 635205692 /nfs/dbraw/zinc/20/56/92/635205692.db2.gz BYCDRVLEKRIRMO-GFCCVEGCSA-N 2 2 292.383 0.664 20 0 CCADLP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC000907805755 635205696 /nfs/dbraw/zinc/20/56/96/635205696.db2.gz BYCDRVLEKRIRMO-GFCCVEGCSA-N 2 2 292.383 0.664 20 0 CCADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C12CC[NH+](CC1)C2 ZINC000909024803 635500361 /nfs/dbraw/zinc/50/03/61/635500361.db2.gz KNXVXYPYOVDDMD-BETUJISGSA-N 2 2 279.384 0.062 20 0 CCADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C12CC[NH+](CC1)C2 ZINC000909024803 635500366 /nfs/dbraw/zinc/50/03/66/635500366.db2.gz KNXVXYPYOVDDMD-BETUJISGSA-N 2 2 279.384 0.062 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC[C@@H]1[NH3+] ZINC000911819673 636407310 /nfs/dbraw/zinc/40/73/10/636407310.db2.gz QBRNZQJNFZTJGW-MDZLAQPJSA-N 2 2 262.357 0.641 20 0 CCADLP C[C@H]1C[C@@H](C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)CC[N@@H+]1C ZINC000913452050 636809621 /nfs/dbraw/zinc/80/96/21/636809621.db2.gz CNJZGPALQTYOAR-SGMGOOAPSA-N 2 2 291.399 0.613 20 0 CCADLP C[C@H]1C[C@@H](C(=O)N2CC[NH2+][C@@H](c3cn[nH]c3)C2)CC[N@H+]1C ZINC000913452050 636809627 /nfs/dbraw/zinc/80/96/27/636809627.db2.gz CNJZGPALQTYOAR-SGMGOOAPSA-N 2 2 291.399 0.613 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NC2CCCC2)C[C@@H]1C[NH3+] ZINC000167777501 636975984 /nfs/dbraw/zinc/97/59/84/636975984.db2.gz IUJHIZPMBRPECP-NEPJUHHUSA-N 2 2 253.390 0.962 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NC2CCCC2)C[C@@H]1C[NH3+] ZINC000167777501 636975997 /nfs/dbraw/zinc/97/59/97/636975997.db2.gz IUJHIZPMBRPECP-NEPJUHHUSA-N 2 2 253.390 0.962 20 0 CCADLP C[N@@H+]1CCN(Cc2cccnc2Cl)[C@@H](C[NH3+])C1 ZINC000226624982 636990364 /nfs/dbraw/zinc/99/03/64/636990364.db2.gz VMMMDCYQNOJGTO-NSHDSACASA-N 2 2 254.765 0.810 20 0 CCADLP C[N@H+]1CCN(Cc2cccnc2Cl)[C@@H](C[NH3+])C1 ZINC000226624982 636990370 /nfs/dbraw/zinc/99/03/70/636990370.db2.gz VMMMDCYQNOJGTO-NSHDSACASA-N 2 2 254.765 0.810 20 0 CCADLP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)C2CC2)C[C@H](C)O1 ZINC000840743972 637108307 /nfs/dbraw/zinc/10/83/07/637108307.db2.gz PKPAJZOQNOEYLW-MBNYWOFBSA-N 2 2 256.390 0.846 20 0 CCADLP C[C@@H]1C[N@H+](CCC[NH2+]C[C@@H](O)C2CC2)C[C@H](C)O1 ZINC000840743972 637108309 /nfs/dbraw/zinc/10/83/09/637108309.db2.gz PKPAJZOQNOEYLW-MBNYWOFBSA-N 2 2 256.390 0.846 20 0 CCADLP O=C(NC12CC[NH+](CC1)C2)c1cc(C[NH+]2CCCC2)on1 ZINC000913634554 637391916 /nfs/dbraw/zinc/39/19/16/637391916.db2.gz UJEPCBQHRWFQFV-UHFFFAOYSA-N 2 2 290.367 0.848 20 0 CCADLP C[C@H]1[C@@H](NC(=O)NCC[NH+]2CCOC(C)(C)C2)CC[N@@H+]1C ZINC000915854094 637800970 /nfs/dbraw/zinc/80/09/70/637800970.db2.gz CYGQXOJETZDBCG-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H]1[C@@H](NC(=O)NCC[NH+]2CCOC(C)(C)C2)CC[N@H+]1C ZINC000915854094 637800974 /nfs/dbraw/zinc/80/09/74/637800974.db2.gz CYGQXOJETZDBCG-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H]1[C@@H](NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC[NH+]1C ZINC000915854094 637800978 /nfs/dbraw/zinc/80/09/78/637800978.db2.gz CYGQXOJETZDBCG-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H]1[C@@H](NC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC[NH+]1C ZINC000915854094 637800981 /nfs/dbraw/zinc/80/09/81/637800981.db2.gz CYGQXOJETZDBCG-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000917224884 637959815 /nfs/dbraw/zinc/95/98/15/637959815.db2.gz XNWOBIILGNJXIV-MGPQQGTHSA-N 2 2 297.447 0.014 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000917224884 637959825 /nfs/dbraw/zinc/95/98/25/637959825.db2.gz XNWOBIILGNJXIV-MGPQQGTHSA-N 2 2 297.447 0.014 20 0 CCADLP Cc1[nH+]ccn1CCCCNC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000920265680 638130623 /nfs/dbraw/zinc/13/06/23/638130623.db2.gz IAKGWIQSDFKKKV-ZDUSSCGKSA-N 2 2 279.388 0.975 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CCF ZINC000939535336 638375280 /nfs/dbraw/zinc/37/52/80/638375280.db2.gz QATDAWDIKOWMNA-ZYHUDNBSSA-N 2 2 268.336 0.369 20 0 CCADLP CC[N@H+](CCCn1cc[nH+]c1)CCS(C)(=O)=O ZINC000183061791 638526441 /nfs/dbraw/zinc/52/64/41/638526441.db2.gz VNCQYUZHMNSCRL-UHFFFAOYSA-N 2 2 259.375 0.640 20 0 CCADLP CC[N@@H+](CCCn1cc[nH+]c1)CCS(C)(=O)=O ZINC000183061791 638526446 /nfs/dbraw/zinc/52/64/46/638526446.db2.gz VNCQYUZHMNSCRL-UHFFFAOYSA-N 2 2 259.375 0.640 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC1(C)C ZINC000995891429 638804454 /nfs/dbraw/zinc/80/44/54/638804454.db2.gz KHYKDAXWMXQTPU-DGCLKSJQSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC1(C)C ZINC000995891429 638804457 /nfs/dbraw/zinc/80/44/57/638804457.db2.gz KHYKDAXWMXQTPU-DGCLKSJQSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC1(C)C ZINC000996516182 638821349 /nfs/dbraw/zinc/82/13/49/638821349.db2.gz XUIOWWLHVYTXKJ-YPMHNXCESA-N 2 2 294.399 0.170 20 0 CCADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC([NH2+]CCO)CC1 ZINC000996762666 638832018 /nfs/dbraw/zinc/83/20/18/638832018.db2.gz XJKQNZZQIUGOAR-GFCCVEGCSA-N 2 2 292.383 0.018 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001016115113 638926911 /nfs/dbraw/zinc/92/69/11/638926911.db2.gz WQVQHEKSKHJKMR-JQWIXIFHSA-N 2 2 280.372 0.486 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001016115113 638926913 /nfs/dbraw/zinc/92/69/13/638926913.db2.gz WQVQHEKSKHJKMR-JQWIXIFHSA-N 2 2 280.372 0.486 20 0 CCADLP CC[NH2+][C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000999325016 638974555 /nfs/dbraw/zinc/97/45/55/638974555.db2.gz ZJWGOHKFHMOPKX-LBPRGKRZSA-N 2 2 250.346 0.943 20 0 CCADLP CC[NH2+][C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000999325016 638974559 /nfs/dbraw/zinc/97/45/59/638974559.db2.gz ZJWGOHKFHMOPKX-LBPRGKRZSA-N 2 2 250.346 0.943 20 0 CCADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC[C@H]([NH2+]CCO)C1 ZINC000999541374 638984695 /nfs/dbraw/zinc/98/46/95/638984695.db2.gz GUAVGSKRKHDXPF-STQMWFEESA-N 2 2 292.383 0.018 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CCC[C@H]([NH2+]CCF)C1 ZINC000999775834 638995756 /nfs/dbraw/zinc/99/57/56/638995756.db2.gz NGXDEOQACYUPMB-LBPRGKRZSA-N 2 2 282.363 0.903 20 0 CCADLP CCC[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC000999915036 639018774 /nfs/dbraw/zinc/01/87/74/639018774.db2.gz FTRODUGAMFPJAX-UHFFFAOYSA-N 2 2 250.346 0.872 20 0 CCADLP O=C(NC1CC[NH+](CCF)CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001003180360 639515293 /nfs/dbraw/zinc/51/52/93/639515293.db2.gz QNLBCUVKOLYNGP-GFCCVEGCSA-N 2 2 294.374 0.996 20 0 CCADLP O=C(NC1CC[NH+](CCO)CC1)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001003606592 639578064 /nfs/dbraw/zinc/57/80/64/639578064.db2.gz ONZKZLFFIJJREC-GFCCVEGCSA-N 2 2 292.383 0.403 20 0 CCADLP C[C@@H](CNC(=O)NC[C@H]1CC[N@@H+]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000923117219 640026202 /nfs/dbraw/zinc/02/62/02/640026202.db2.gz NZIJXQNSHTVECW-IGQOVBAYSA-N 2 2 298.431 0.487 20 0 CCADLP C[C@@H](CNC(=O)NC[C@H]1CC[N@H+]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000923117219 640026208 /nfs/dbraw/zinc/02/62/08/640026208.db2.gz NZIJXQNSHTVECW-IGQOVBAYSA-N 2 2 298.431 0.487 20 0 CCADLP C[C@@H](CNC(=O)NC[C@H]1CC[NH+]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000923117219 640026214 /nfs/dbraw/zinc/02/62/14/640026214.db2.gz NZIJXQNSHTVECW-IGQOVBAYSA-N 2 2 298.431 0.487 20 0 CCADLP C[C@@H](CNC(=O)NC[C@H]1CC[NH+]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000923117219 640026219 /nfs/dbraw/zinc/02/62/19/640026219.db2.gz NZIJXQNSHTVECW-IGQOVBAYSA-N 2 2 298.431 0.487 20 0 CCADLP C[C@@H]1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)[C@H]1C[NH3+] ZINC000923288658 640071512 /nfs/dbraw/zinc/07/15/12/640071512.db2.gz MDGCXILQGQRATQ-AGIUHOORSA-N 3 2 253.390 0.424 20 0 CCADLP C[C@@H]1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)[C@H]1C[NH3+] ZINC000923288658 640071520 /nfs/dbraw/zinc/07/15/20/640071520.db2.gz MDGCXILQGQRATQ-AGIUHOORSA-N 3 2 253.390 0.424 20 0 CCADLP C[C@H](C[NH3+])[N@H+](C)C[C@@H](O)COc1ccccc1F ZINC000923289698 640072874 /nfs/dbraw/zinc/07/28/74/640072874.db2.gz KDUGPMJVGIOTHT-GHMZBOCLSA-N 2 2 256.321 0.844 20 0 CCADLP C[C@H](C[NH3+])[N@@H+](C)C[C@@H](O)COc1ccccc1F ZINC000923289698 640072879 /nfs/dbraw/zinc/07/28/79/640072879.db2.gz KDUGPMJVGIOTHT-GHMZBOCLSA-N 2 2 256.321 0.844 20 0 CCADLP O=C(NC1CC1)[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000923306069 640078164 /nfs/dbraw/zinc/07/81/64/640078164.db2.gz OYCSHGZVPSVBFH-ZDUSSCGKSA-N 2 2 251.374 0.872 20 0 CCADLP O=C(NC1CC1)[C@@H]1CCC[N@H+]1CCC[NH2+]C1CC1 ZINC000923306069 640078171 /nfs/dbraw/zinc/07/81/71/640078171.db2.gz OYCSHGZVPSVBFH-ZDUSSCGKSA-N 2 2 251.374 0.872 20 0 CCADLP C[C@@H]1CC[N@H+](C[C@H](O)COC[C@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000923391243 640116753 /nfs/dbraw/zinc/11/67/53/640116753.db2.gz XNOZQRQIXCOVKJ-CBBWQLFWSA-N 2 2 286.416 0.602 20 0 CCADLP C[C@@H]1CC[N@@H+](C[C@H](O)COC[C@H]2CCCO2)[C@H](C[NH3+])C1 ZINC000923391243 640116759 /nfs/dbraw/zinc/11/67/59/640116759.db2.gz XNOZQRQIXCOVKJ-CBBWQLFWSA-N 2 2 286.416 0.602 20 0 CCADLP C[C@@H]1CC[N@H+](C[C@@H](O)COC2CCOCC2)[C@H](C[NH3+])C1 ZINC000923388372 640118555 /nfs/dbraw/zinc/11/85/55/640118555.db2.gz JCDDDYVNTUGTMO-HZSPNIEDSA-N 2 2 286.416 0.602 20 0 CCADLP C[C@@H]1CC[N@@H+](C[C@@H](O)COC2CCOCC2)[C@H](C[NH3+])C1 ZINC000923388372 640118562 /nfs/dbraw/zinc/11/85/62/640118562.db2.gz JCDDDYVNTUGTMO-HZSPNIEDSA-N 2 2 286.416 0.602 20 0 CCADLP FC(F)[C@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923421321 640135596 /nfs/dbraw/zinc/13/55/96/640135596.db2.gz PNXXHLGBCNSNBG-NXEZZACHSA-N 2 2 262.300 0.331 20 0 CCADLP FC(F)[C@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923421321 640135604 /nfs/dbraw/zinc/13/56/04/640135604.db2.gz PNXXHLGBCNSNBG-NXEZZACHSA-N 2 2 262.300 0.331 20 0 CCADLP C[C@@H]1CCC[N@@H+]1CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000807271466 640821344 /nfs/dbraw/zinc/82/13/44/640821344.db2.gz WNCJROMYRBJAKE-LLVKDONJSA-N 2 2 250.346 0.943 20 0 CCADLP C[C@@H]1CCC[N@H+]1CCNC(=O)CCc1[nH]cc[nH+]1 ZINC000807271466 640821345 /nfs/dbraw/zinc/82/13/45/640821345.db2.gz WNCJROMYRBJAKE-LLVKDONJSA-N 2 2 250.346 0.943 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCCc2cnn(C)n2)C[N@@H+]1C1CC1 ZINC000815145134 641095685 /nfs/dbraw/zinc/09/56/85/641095685.db2.gz WSTVSDSEMQRJBD-YPMHNXCESA-N 2 2 263.389 0.963 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCCc2cnn(C)n2)C[N@H+]1C1CC1 ZINC000815145134 641095686 /nfs/dbraw/zinc/09/56/86/641095686.db2.gz WSTVSDSEMQRJBD-YPMHNXCESA-N 2 2 263.389 0.963 20 0 CCADLP c1cncc(OCC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000817894473 641276794 /nfs/dbraw/zinc/27/67/94/641276794.db2.gz ZRMZYPRNGXJDPM-GJZGRUSLSA-N 2 2 277.368 0.817 20 0 CCADLP Cc1[nH+]ccn1-c1ncccc1C[NH2+]CCS(C)(=O)=O ZINC000818969213 641369898 /nfs/dbraw/zinc/36/98/98/641369898.db2.gz AMUTZUYAKDCKLK-UHFFFAOYSA-N 2 2 294.380 0.710 20 0 CCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[NH+]1CCCC1 ZINC000824400814 641823804 /nfs/dbraw/zinc/82/38/04/641823804.db2.gz FITFFJRJLQZXTE-AWEZNQCLSA-N 3 2 284.448 0.470 20 0 CCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[NH+]1CCCC1 ZINC000824400814 641823808 /nfs/dbraw/zinc/82/38/08/641823808.db2.gz FITFFJRJLQZXTE-AWEZNQCLSA-N 3 2 284.448 0.470 20 0 CCADLP Cc1ncoc1C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016251112 650704506 /nfs/dbraw/zinc/70/45/06/650704506.db2.gz JYMAZCKESQFFEA-ZDUSSCGKSA-N 2 2 292.383 0.769 20 0 CCADLP Cc1ncoc1C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016251112 650704508 /nfs/dbraw/zinc/70/45/08/650704508.db2.gz JYMAZCKESQFFEA-ZDUSSCGKSA-N 2 2 292.383 0.769 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001016394216 650725043 /nfs/dbraw/zinc/72/50/43/650725043.db2.gz LIQOTSKEANZOJO-AWEZNQCLSA-N 2 2 285.351 0.669 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001016394216 650725046 /nfs/dbraw/zinc/72/50/46/650725046.db2.gz LIQOTSKEANZOJO-AWEZNQCLSA-N 2 2 285.351 0.669 20 0 CCADLP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@@]1(F)CC[NH2+]C1 ZINC000831927109 642409493 /nfs/dbraw/zinc/40/94/93/642409493.db2.gz FYDZYSLORFMNDX-UMVBOHGHSA-N 2 2 299.390 0.448 20 0 CCADLP CCN(CCC[NH+](C)C)C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000831992256 642426633 /nfs/dbraw/zinc/42/66/33/642426633.db2.gz BNVBDINGBPSMSQ-UHFFFAOYSA-N 2 2 279.388 0.469 20 0 CCADLP C[C@@H](O)C[NH+]1CCC2(C[C@@H]2NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001016849833 650766478 /nfs/dbraw/zinc/76/64/78/650766478.db2.gz FUHGAKDBIXSIQC-YPMHNXCESA-N 2 2 292.383 0.304 20 0 CCADLP C[NH+]1CCC(C)(CNC(=O)/C=C/C[NH+]2CCOCC2)CC1 ZINC000867286888 642879114 /nfs/dbraw/zinc/87/91/14/642879114.db2.gz MGKMQBDUNYWSGV-ONEGZZNKSA-N 2 2 295.427 0.723 20 0 CCADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(=O)NC[C@H]1CCCO1 ZINC000843360226 643038713 /nfs/dbraw/zinc/03/87/13/643038713.db2.gz HXAXQXIJCINJQR-WTUNAVPPSA-N 2 2 281.400 0.626 20 0 CCADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=O)NC[C@H]1CCCO1 ZINC000843360226 643038718 /nfs/dbraw/zinc/03/87/18/643038718.db2.gz HXAXQXIJCINJQR-WTUNAVPPSA-N 2 2 281.400 0.626 20 0 CCADLP Cn1ccnc1[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000846837106 643462346 /nfs/dbraw/zinc/46/23/46/643462346.db2.gz WOTHDDUQZKIJCI-ZIAGYGMSSA-N 2 2 278.400 0.666 20 0 CCADLP Cn1ccnc1[C@@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000846837106 643462351 /nfs/dbraw/zinc/46/23/51/643462351.db2.gz WOTHDDUQZKIJCI-ZIAGYGMSSA-N 2 2 278.400 0.666 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848722508 643671002 /nfs/dbraw/zinc/67/10/02/643671002.db2.gz STFDFLONCVNHQP-YUSALJHKSA-N 2 2 253.346 0.557 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852443623 643967114 /nfs/dbraw/zinc/96/71/14/643967114.db2.gz PSQDEVGJVDRLJA-CHWSQXEVSA-N 2 2 285.388 0.214 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852443623 643967117 /nfs/dbraw/zinc/96/71/17/643967117.db2.gz PSQDEVGJVDRLJA-CHWSQXEVSA-N 2 2 285.388 0.214 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852443623 643967121 /nfs/dbraw/zinc/96/71/21/643967121.db2.gz PSQDEVGJVDRLJA-CHWSQXEVSA-N 2 2 285.388 0.214 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852443623 643967124 /nfs/dbraw/zinc/96/71/24/643967124.db2.gz PSQDEVGJVDRLJA-CHWSQXEVSA-N 2 2 285.388 0.214 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C=C1CC[NH2+]CC1 ZINC000852866424 644032059 /nfs/dbraw/zinc/03/20/59/644032059.db2.gz XAYGZYKVHKHYMD-GFCCVEGCSA-N 2 2 267.373 0.133 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C=C1CC[NH2+]CC1 ZINC000852866424 644032062 /nfs/dbraw/zinc/03/20/62/644032062.db2.gz XAYGZYKVHKHYMD-GFCCVEGCSA-N 2 2 267.373 0.133 20 0 CCADLP O[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccccn1 ZINC000853109857 644076932 /nfs/dbraw/zinc/07/69/32/644076932.db2.gz ROHGBEOEINTEPP-DZGCQCFKSA-N 2 2 279.384 0.551 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000857111137 644470851 /nfs/dbraw/zinc/47/08/51/644470851.db2.gz CZUWYDSVTCQJPO-WDEREUQCSA-N 2 2 265.361 0.656 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000857113430 644473181 /nfs/dbraw/zinc/47/31/81/644473181.db2.gz WBLRPHCGZHEKOT-ZDUSSCGKSA-N 3 2 299.463 0.391 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000857113430 644473187 /nfs/dbraw/zinc/47/31/87/644473187.db2.gz WBLRPHCGZHEKOT-ZDUSSCGKSA-N 3 2 299.463 0.391 20 0 CCADLP C[NH+](C)[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cnon2)C1)C1CC1 ZINC001018966104 650925954 /nfs/dbraw/zinc/92/59/54/650925954.db2.gz CDWDGWAROWFWGK-AAEUAGOBSA-N 2 2 293.371 0.100 20 0 CCADLP C[C@@H](C[C@H]1CCOC1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000858467342 644624072 /nfs/dbraw/zinc/62/40/72/644624072.db2.gz ULVYMPQEVLHIOE-MJBXVCDLSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H](C[C@H]1CCOC1)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000858467342 644624074 /nfs/dbraw/zinc/62/40/74/644624074.db2.gz ULVYMPQEVLHIOE-MJBXVCDLSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@H]([NH3+])CN(C)C(=O)NCCCCn1cc[nH+]c1 ZINC000861563526 644893278 /nfs/dbraw/zinc/89/32/78/644893278.db2.gz AXCXYGKEWUWCLB-NSHDSACASA-N 2 2 253.350 0.652 20 0 CCADLP CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2nncs2)C1)[NH+](C)C ZINC001019394320 650968626 /nfs/dbraw/zinc/96/86/26/650968626.db2.gz FMDVGLURQKBBJF-QWRGUYRKSA-N 2 2 297.428 0.569 20 0 CCADLP O[C@H](C[NH2+][C@@H]1COc2ccccc2[C@@H]1O)C[NH+]1CCCC1 ZINC000863564424 645107995 /nfs/dbraw/zinc/10/79/95/645107995.db2.gz WXNFTIHOUSSJJY-XPKDYRNWSA-N 2 2 292.379 0.527 20 0 CCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(N)=[NH2+])C2)cc1 ZINC000864358228 645217521 /nfs/dbraw/zinc/21/75/21/645217521.db2.gz PIWSILIFCYAFRH-ZDUSSCGKSA-N 2 2 262.357 0.679 20 0 CCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(N)=[NH2+])C2)cc1 ZINC000864358228 645217524 /nfs/dbraw/zinc/21/75/24/645217524.db2.gz PIWSILIFCYAFRH-ZDUSSCGKSA-N 2 2 262.357 0.679 20 0 CCADLP O=C(/C=C\C[NH+]1CCOCC1)NCCC[NH+]1CCCC1 ZINC000864587632 645242257 /nfs/dbraw/zinc/24/22/57/645242257.db2.gz GPOJCYXUWQSEEO-HYXAFXHYSA-N 2 2 281.400 0.477 20 0 CCADLP C[C@@H](O)[C@@H](O)C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000865739852 645410605 /nfs/dbraw/zinc/41/06/05/645410605.db2.gz WOBGFGLJINUDBQ-SKDRFNHKSA-N 2 2 267.354 0.765 20 0 CCADLP C[C@H](NC(=O)/C=C/C[NH+]1CCOCC1)C(C)(C)C[NH+](C)C ZINC000866059312 645471057 /nfs/dbraw/zinc/47/10/57/645471057.db2.gz MHBIQTHJGLYDHI-UZYOAWRESA-N 2 2 297.443 0.967 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000866415058 645526946 /nfs/dbraw/zinc/52/69/46/645526946.db2.gz WHYKFNOAZRYVFF-VNHYZAJKSA-N 2 2 281.444 0.904 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000866415058 645526952 /nfs/dbraw/zinc/52/69/52/645526952.db2.gz WHYKFNOAZRYVFF-VNHYZAJKSA-N 2 2 281.444 0.904 20 0 CCADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866415058 645526954 /nfs/dbraw/zinc/52/69/54/645526954.db2.gz WHYKFNOAZRYVFF-VNHYZAJKSA-N 2 2 281.444 0.904 20 0 CCADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866415058 645526961 /nfs/dbraw/zinc/52/69/61/645526961.db2.gz WHYKFNOAZRYVFF-VNHYZAJKSA-N 2 2 281.444 0.904 20 0 CCADLP O=C(/C=C/C[NH+]1CCOCC1)NCC[N@H+]1CC=CCC1 ZINC000867921052 645682214 /nfs/dbraw/zinc/68/22/14/645682214.db2.gz FDLGBALUHIEVGM-SNAWJCMRSA-N 2 2 279.384 0.253 20 0 CCADLP O=C(/C=C/C[NH+]1CCOCC1)NCC[N@@H+]1CC=CCC1 ZINC000867921052 645682219 /nfs/dbraw/zinc/68/22/19/645682219.db2.gz FDLGBALUHIEVGM-SNAWJCMRSA-N 2 2 279.384 0.253 20 0 CCADLP Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)[C@H](C)[NH3+])C2)cc1 ZINC000867997476 645699876 /nfs/dbraw/zinc/69/98/76/645699876.db2.gz FWGWCCXSEXTBST-DZGCQCFKSA-N 2 2 291.395 0.659 20 0 CCADLP Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)[C@H](C)[NH3+])C2)cc1 ZINC000867997476 645699884 /nfs/dbraw/zinc/69/98/84/645699884.db2.gz FWGWCCXSEXTBST-DZGCQCFKSA-N 2 2 291.395 0.659 20 0 CCADLP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)CC[NH3+])C2)c1 ZINC000867998060 645700537 /nfs/dbraw/zinc/70/05/37/645700537.db2.gz OMCDECBWISSBOF-OAHLLOKOSA-N 2 2 291.395 0.661 20 0 CCADLP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)CC[NH3+])C2)c1 ZINC000867998060 645700540 /nfs/dbraw/zinc/70/05/40/645700540.db2.gz OMCDECBWISSBOF-OAHLLOKOSA-N 2 2 291.395 0.661 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)N[C@H]3C[C@H]([NH2+]CCO)C3)ccn12 ZINC001020153684 651044615 /nfs/dbraw/zinc/04/46/15/651044615.db2.gz VSVOHEXALFRNPR-JOCQHMNTSA-N 2 2 288.351 0.485 20 0 CCADLP O=C(N[C@H]1C[C@H]([NH2+]CCF)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001020312280 651058204 /nfs/dbraw/zinc/05/82/04/651058204.db2.gz FSJCABSBDAQNIF-SRVKXCTJSA-N 2 2 280.347 0.652 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N[C@H]2C[C@H]([NH2+]CCF)C2)no1 ZINC001020333041 651059660 /nfs/dbraw/zinc/05/96/60/651059660.db2.gz HPZXXDVASGXZIB-MGCOHNPYSA-N 2 2 284.335 0.556 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870865983 646030190 /nfs/dbraw/zinc/03/01/90/646030190.db2.gz JAGFFTJMLBQMLK-UPJWGTAASA-N 2 2 269.389 0.341 20 0 CCADLP CCC(CC)[C@H](C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000870965657 646065191 /nfs/dbraw/zinc/06/51/91/646065191.db2.gz MLZWKRDGDXJENT-VHDGCEQUSA-N 2 2 297.443 0.977 20 0 CCADLP O=S(=O)(NCc1ccn2cc[nH+]c2c1)[C@@H]1CCC[NH2+]C1 ZINC000923627675 646113306 /nfs/dbraw/zinc/11/33/06/646113306.db2.gz HSIOINOSVYCZIP-GFCCVEGCSA-N 2 2 294.380 0.506 20 0 CCADLP Cc1conc1C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000872143051 646212102 /nfs/dbraw/zinc/21/21/02/646212102.db2.gz IMNZYKYNMAPBDP-LBPRGKRZSA-N 2 2 280.372 0.803 20 0 CCADLP Cc1conc1C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000872143051 646212107 /nfs/dbraw/zinc/21/21/07/646212107.db2.gz IMNZYKYNMAPBDP-LBPRGKRZSA-N 2 2 280.372 0.803 20 0 CCADLP OCC[NH2+]C1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873217877 646361317 /nfs/dbraw/zinc/36/13/17/646361317.db2.gz SRKXPACBBQMERM-UHFFFAOYSA-N 3 2 295.452 0.940 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](CC2(C[NH3+])CC2)C[C@H]1C(F)(F)F ZINC000873229098 646362526 /nfs/dbraw/zinc/36/25/26/646362526.db2.gz XACVEKWCTJPVJE-RKDXNWHRSA-N 3 2 251.296 0.794 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](CC2(C[NH3+])CC2)C[C@H]1C(F)(F)F ZINC000873229098 646362534 /nfs/dbraw/zinc/36/25/34/646362534.db2.gz XACVEKWCTJPVJE-RKDXNWHRSA-N 3 2 251.296 0.794 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000873251458 646365749 /nfs/dbraw/zinc/36/57/49/646365749.db2.gz KPPRJVNRBYPNNE-QLFBSQMISA-N 2 2 298.427 0.929 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)CCO1 ZINC000124557577 646383603 /nfs/dbraw/zinc/38/36/03/646383603.db2.gz TVUVFSYVVNBTFU-TUAOUCFPSA-N 2 2 255.362 0.045 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)CCO1 ZINC000124557577 646383610 /nfs/dbraw/zinc/38/36/10/646383610.db2.gz TVUVFSYVVNBTFU-TUAOUCFPSA-N 2 2 255.362 0.045 20 0 CCADLP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NCCn1cc[nH+]c1)C2 ZINC000874433841 646465032 /nfs/dbraw/zinc/46/50/32/646465032.db2.gz SKHRPITZEFVRCU-WCQYABFASA-N 2 2 263.345 0.134 20 0 CCADLP C[C@](C[NH3+])(NC(=O)/C=C\C[NH+]1CCOCC1)C1CC1 ZINC000876530012 646620999 /nfs/dbraw/zinc/62/09/99/646620999.db2.gz NSNOQBKOXVLLRO-PYLYLYNFSA-N 2 2 267.373 0.118 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876731823 646653616 /nfs/dbraw/zinc/65/36/16/646653616.db2.gz UNWYAGNMXUAEDX-VWYCJHECSA-N 2 2 250.346 0.761 20 0 CCADLP O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000876733027 646653748 /nfs/dbraw/zinc/65/37/48/646653748.db2.gz MIVLODYPQABDOZ-MGPQQGTHSA-N 2 2 299.390 0.257 20 0 CCADLP C[C@H](C(=O)N1C2CCC1(C[NH3+])CC2)[NH+]1CCN(C)CC1 ZINC000877187494 646753127 /nfs/dbraw/zinc/75/31/27/646753127.db2.gz UMLWGVQEXLPETF-DNOWBOINSA-N 2 2 280.416 0.105 20 0 CCADLP CC[C@@H](C)[C@H](C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)OC ZINC000877651744 646831832 /nfs/dbraw/zinc/83/18/32/646831832.db2.gz KDEBDULZDCDCAD-RDBSUJKOSA-N 2 2 285.432 0.977 20 0 CCADLP CC[C@@H](C)[C@H](C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)OC ZINC000877651744 646831835 /nfs/dbraw/zinc/83/18/35/646831835.db2.gz KDEBDULZDCDCAD-RDBSUJKOSA-N 2 2 285.432 0.977 20 0 CCADLP C[C@H]1C[N@H+](CCNS(C)(=O)=O)CCN1c1cc[nH+]cc1 ZINC000880261282 647176588 /nfs/dbraw/zinc/17/65/88/647176588.db2.gz IDOZKWWXWHVGBV-LBPRGKRZSA-N 2 2 298.412 0.141 20 0 CCADLP C[C@H]1C[N@@H+](CCNS(C)(=O)=O)CCN1c1cc[nH+]cc1 ZINC000880261282 647176594 /nfs/dbraw/zinc/17/65/94/647176594.db2.gz IDOZKWWXWHVGBV-LBPRGKRZSA-N 2 2 298.412 0.141 20 0 CCADLP C[C@@H]1C[N@@H+](CCCNC(=O)c2ncoc2C[NH3+])C[C@H](C)O1 ZINC000884183875 647661640 /nfs/dbraw/zinc/66/16/40/647661640.db2.gz ZCZYIUQUENPDPT-PHIMTYICSA-N 2 2 296.371 0.362 20 0 CCADLP C[C@@H]1C[N@H+](CCCNC(=O)c2ncoc2C[NH3+])C[C@H](C)O1 ZINC000884183875 647661644 /nfs/dbraw/zinc/66/16/44/647661644.db2.gz ZCZYIUQUENPDPT-PHIMTYICSA-N 2 2 296.371 0.362 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)c[nH+]1 ZINC000884418738 647732908 /nfs/dbraw/zinc/73/29/08/647732908.db2.gz ULBIOKNHCPKELQ-GHMZBOCLSA-N 2 2 268.336 0.824 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](C[C@H]2C[C@@]23CCOC3)CC1 ZINC000886081466 647897787 /nfs/dbraw/zinc/89/77/87/647897787.db2.gz PWVOOWRARLSYIW-UKRRQHHQSA-N 2 2 276.384 0.969 20 0 CCADLP [NH2+]=C(NCC[NH+]1CCSCC1)NCC(F)F ZINC000887354193 648096481 /nfs/dbraw/zinc/09/64/81/648096481.db2.gz STEHXMTWRJXLSS-UHFFFAOYSA-N 2 2 252.334 0.414 20 0 CCADLP C[C@H](CNC(=[NH2+])NCC(F)F)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000887362837 648098547 /nfs/dbraw/zinc/09/85/47/648098547.db2.gz AWFDJBGJQJMYES-BBBLOLIVSA-N 2 2 278.347 0.863 20 0 CCADLP C[C@H](CNC(=[NH2+])NCC(F)F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000887362837 648098553 /nfs/dbraw/zinc/09/85/53/648098553.db2.gz AWFDJBGJQJMYES-BBBLOLIVSA-N 2 2 278.347 0.863 20 0 CCADLP C[C@H](C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)N1CC[NH+](C)CC1 ZINC000925497044 648439010 /nfs/dbraw/zinc/43/90/10/648439010.db2.gz SZEWKMCPMDGTFZ-FOLNQXHWSA-N 3 2 278.444 0.208 20 0 CCADLP C[C@]1(C[NH2+][C@@H]2C[NH2+]CCOC2)CCO[C@@H]1C1CC1 ZINC000925639608 648449424 /nfs/dbraw/zinc/44/94/24/648449424.db2.gz CVNWZWTWAAXGCH-MGPQQGTHSA-N 2 2 254.374 0.770 20 0 CCADLP C[C@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)c1c[nH+]ccc1N ZINC000925776307 648459883 /nfs/dbraw/zinc/45/98/83/648459883.db2.gz WJPKDEUZJXEDQE-JTQLQIEISA-N 2 2 298.412 0.569 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928081936 648613364 /nfs/dbraw/zinc/61/33/64/648613364.db2.gz POZXTHQMJJFKGS-CHWSQXEVSA-N 2 2 294.424 0.888 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928081936 648613369 /nfs/dbraw/zinc/61/33/69/648613369.db2.gz POZXTHQMJJFKGS-CHWSQXEVSA-N 2 2 294.424 0.888 20 0 CCADLP C[C@@H]1NC(=O)[C@H](C)[N@H+](CCCc2c[nH+]cn2C)[C@H]1C ZINC000930842418 648915558 /nfs/dbraw/zinc/91/55/58/648915558.db2.gz LDWJOTUYQWYTCL-SRVKXCTJSA-N 2 2 264.373 0.950 20 0 CCADLP C[C@@H]1NC(=O)[C@H](C)[N@@H+](CCCc2c[nH+]cn2C)[C@H]1C ZINC000930842418 648915560 /nfs/dbraw/zinc/91/55/60/648915560.db2.gz LDWJOTUYQWYTCL-SRVKXCTJSA-N 2 2 264.373 0.950 20 0 CCADLP O=C1CC[C@@H](C[NH+]2CCC([N@@H+]3CCCOCC3)CC2)N1 ZINC000931284884 648974281 /nfs/dbraw/zinc/97/42/81/648974281.db2.gz CAXFXAXYELMHGO-ZDUSSCGKSA-N 2 2 281.400 0.452 20 0 CCADLP O=C1CC[C@@H](C[NH+]2CCC([N@H+]3CCCOCC3)CC2)N1 ZINC000931284884 648974283 /nfs/dbraw/zinc/97/42/83/648974283.db2.gz CAXFXAXYELMHGO-ZDUSSCGKSA-N 2 2 281.400 0.452 20 0 CCADLP Nc1cc[nH+]c2c1C[N@H+](C[C@H](O)Cn1cccn1)CC2 ZINC000931511786 648998065 /nfs/dbraw/zinc/99/80/65/648998065.db2.gz QLEKYEIVCSGGAU-NSHDSACASA-N 2 2 273.340 0.280 20 0 CCADLP Nc1cc[nH+]c2c1C[N@@H+](C[C@H](O)Cn1cccn1)CC2 ZINC000931511786 648998068 /nfs/dbraw/zinc/99/80/68/648998068.db2.gz QLEKYEIVCSGGAU-NSHDSACASA-N 2 2 273.340 0.280 20 0 CCADLP Cn1nccc1CC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517525 648999273 /nfs/dbraw/zinc/99/92/73/648999273.db2.gz ALBUWUXYYVRFIJ-UHFFFAOYSA-N 2 2 257.341 0.998 20 0 CCADLP Cn1nccc1CC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517525 648999276 /nfs/dbraw/zinc/99/92/76/648999276.db2.gz ALBUWUXYYVRFIJ-UHFFFAOYSA-N 2 2 257.341 0.998 20 0 CCADLP Nc1cc[nH+]c2c1C[N@H+](C[C@H](O)CC1(O)CCC1)CC2 ZINC000931515843 648999323 /nfs/dbraw/zinc/99/93/23/648999323.db2.gz DIENTSKRWBXFOT-LLVKDONJSA-N 2 2 277.368 0.688 20 0 CCADLP Nc1cc[nH+]c2c1C[N@@H+](C[C@H](O)CC1(O)CCC1)CC2 ZINC000931515843 648999327 /nfs/dbraw/zinc/99/93/27/648999327.db2.gz DIENTSKRWBXFOT-LLVKDONJSA-N 2 2 277.368 0.688 20 0 CCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H](O)CC1(O)CCC1 ZINC000931718112 649021267 /nfs/dbraw/zinc/02/12/67/649021267.db2.gz KHNSAOFPFVMHNU-MJBXVCDLSA-N 2 2 268.401 0.821 20 0 CCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H](O)CC1(O)CCC1 ZINC000931718112 649021268 /nfs/dbraw/zinc/02/12/68/649021268.db2.gz KHNSAOFPFVMHNU-MJBXVCDLSA-N 2 2 268.401 0.821 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H](O)CC1(O)CCC1 ZINC000931718112 649021271 /nfs/dbraw/zinc/02/12/71/649021271.db2.gz KHNSAOFPFVMHNU-MJBXVCDLSA-N 2 2 268.401 0.821 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H](O)CC1(O)CCC1 ZINC000931718112 649021273 /nfs/dbraw/zinc/02/12/73/649021273.db2.gz KHNSAOFPFVMHNU-MJBXVCDLSA-N 2 2 268.401 0.821 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CC[NH2+]C(C)(C)C ZINC000935713756 649253402 /nfs/dbraw/zinc/25/34/02/649253402.db2.gz VCVKHCZOVQNVQA-CYBMUJFWSA-N 2 2 285.432 0.944 20 0 CCADLP CO[C@H](C)C[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000957411435 649747770 /nfs/dbraw/zinc/74/77/70/649747770.db2.gz AXQDUORMYXFUOK-KGLIPLIRSA-N 2 2 285.432 0.752 20 0 CCADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4[C@@H]([NH3+])[C@@H]4C3)[nH+]2)CC1 ZINC001164440248 718984995 /nfs/dbraw/zinc/98/49/95/718984995.db2.gz KUOVYXKUUPLRTH-JYAVWHMHSA-N 3 2 273.384 0.227 20 0 CCADLP COCC[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001209214243 790581795 /nfs/dbraw/zinc/58/17/95/790581795.db2.gz BWNKXQYRUKZROH-ZDUSSCGKSA-N 2 2 284.400 0.982 20 0 CCADLP COCC[NH+]1CCC([N@H+]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001209214243 790581798 /nfs/dbraw/zinc/58/17/98/790581798.db2.gz BWNKXQYRUKZROH-ZDUSSCGKSA-N 2 2 284.400 0.982 20 0 CCADLP Cc1c(F)cc[nH+]c1N1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001167188102 790688544 /nfs/dbraw/zinc/68/85/44/790688544.db2.gz QTPOJRATHDBTQC-DHHPTOIESA-N 2 2 251.305 0.939 20 0 CCADLP CC[C@@H](C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1)OC ZINC001167346615 790933800 /nfs/dbraw/zinc/93/38/00/790933800.db2.gz QKCAKIMBASPZTL-LBPRGKRZSA-N 2 2 268.361 0.473 20 0 CCADLP COCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001266601843 791008620 /nfs/dbraw/zinc/00/86/20/791008620.db2.gz OEPFVZYTKGYCTL-AVGNSLFASA-N 2 2 292.383 0.329 20 0 CCADLP C[C@H](CC(=O)NCCC[NH2+]C[C@H](C)O)n1cc[nH+]c1 ZINC001167427925 791061153 /nfs/dbraw/zinc/06/11/53/791061153.db2.gz CZEVAHFYILIOPR-NEPJUHHUSA-N 2 2 268.361 0.311 20 0 CCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCCC[NH2+]C[C@@H](C)O)C2 ZINC001161323093 791100312 /nfs/dbraw/zinc/10/03/12/791100312.db2.gz BZMFCGCNYWNUDS-ZYHUDNBSSA-N 2 2 294.399 0.300 20 0 CCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCCC[NH2+]C[C@@H](C)O)CC2 ZINC001161323093 791100317 /nfs/dbraw/zinc/10/03/17/791100317.db2.gz BZMFCGCNYWNUDS-ZYHUDNBSSA-N 2 2 294.399 0.300 20 0 CCADLP CCN(C(=O)[C@H](CO)n1cc[nH+]c1)[C@H]1CCC[NH2+]C1 ZINC001161333066 791113798 /nfs/dbraw/zinc/11/37/98/791113798.db2.gz QCZUCFGVBRLQNU-RYUDHWBXSA-N 2 2 266.345 0.017 20 0 CCADLP OC[C@@H](O)C[NH2+][C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000398433919 791149167 /nfs/dbraw/zinc/14/91/67/791149167.db2.gz FGNIDXOXNRGJGH-BYNSBNAKSA-N 2 2 262.353 0.060 20 0 CCADLP OC[C@@H](O)C[NH2+][C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000398433919 791149174 /nfs/dbraw/zinc/14/91/74/791149174.db2.gz FGNIDXOXNRGJGH-BYNSBNAKSA-N 2 2 262.353 0.060 20 0 CCADLP COCc1cccc(C[N@H+](C)CCN2CC[NH+](C)CC2)n1 ZINC001232257759 805915215 /nfs/dbraw/zinc/91/52/15/805915215.db2.gz SUESIWWMXOIYHX-UHFFFAOYSA-N 2 2 292.427 0.907 20 0 CCADLP COCc1cccc(C[N@@H+](C)CCN2CC[NH+](C)CC2)n1 ZINC001232257759 805915219 /nfs/dbraw/zinc/91/52/19/805915219.db2.gz SUESIWWMXOIYHX-UHFFFAOYSA-N 2 2 292.427 0.907 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H](C[NH2+]CCO)C1CC1 ZINC001277709099 805975375 /nfs/dbraw/zinc/97/53/75/805975375.db2.gz DWKLHDHKWMFAIA-BXUZGUMPSA-N 2 2 294.399 0.407 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H](C[NH2+]CCO)C1CC1 ZINC001277709099 805975379 /nfs/dbraw/zinc/97/53/79/805975379.db2.gz DWKLHDHKWMFAIA-BXUZGUMPSA-N 2 2 294.399 0.407 20 0 CCADLP C[C@H](NC(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@H](C)[NH+]1CCOCC1 ZINC000891516394 791265749 /nfs/dbraw/zinc/26/57/49/791265749.db2.gz GOBGNHNEMUSYEJ-ZDEQEGDKSA-N 2 2 284.404 0.132 20 0 CCADLP C[C@@H](O)C[NH2+]CCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001266847826 791285691 /nfs/dbraw/zinc/28/56/91/791285691.db2.gz AGIBPBBFTJKOAW-VXGBXAGGSA-N 2 2 268.361 0.263 20 0 CCADLP CC[NH2+][C@H](C)CCNC(=O)CCc1[nH+]ccn1C ZINC001267135906 791581725 /nfs/dbraw/zinc/58/17/25/791581725.db2.gz OOUIUSKDTSPIAZ-LLVKDONJSA-N 2 2 252.362 0.857 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724593526 791612966 /nfs/dbraw/zinc/61/29/66/791612966.db2.gz FRTQFVDJEFFPMK-RGDJUOJXSA-N 2 2 270.373 0.147 20 0 CCADLP COc1cc(C[N@H+](C)C[C@H](O)CO)ccc1-n1cc[nH+]c1 ZINC001234043260 806174004 /nfs/dbraw/zinc/17/40/04/806174004.db2.gz NRFFRQOGUSBDJR-ZDUSSCGKSA-N 2 2 291.351 0.666 20 0 CCADLP COc1cc(C[N@@H+](C)C[C@H](O)CO)ccc1-n1cc[nH+]c1 ZINC001234043260 806174008 /nfs/dbraw/zinc/17/40/08/806174008.db2.gz NRFFRQOGUSBDJR-ZDUSSCGKSA-N 2 2 291.351 0.666 20 0 CCADLP CCOCC[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001277858410 806248019 /nfs/dbraw/zinc/24/80/19/806248019.db2.gz PKZQGISWJIAUSS-MRXNPFEDSA-N 2 2 297.443 0.899 20 0 CCADLP CCOCC[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001277858410 806248021 /nfs/dbraw/zinc/24/80/21/806248021.db2.gz PKZQGISWJIAUSS-MRXNPFEDSA-N 2 2 297.443 0.899 20 0 CCADLP CCOCC[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001277858410 806248026 /nfs/dbraw/zinc/24/80/26/806248026.db2.gz PKZQGISWJIAUSS-MRXNPFEDSA-N 2 2 297.443 0.899 20 0 CCADLP CCOCC[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001277858410 806248015 /nfs/dbraw/zinc/24/80/15/806248015.db2.gz PKZQGISWJIAUSS-MRXNPFEDSA-N 2 2 297.443 0.899 20 0 CCADLP Oc1cc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)cc(F)c1F ZINC001234994483 806339397 /nfs/dbraw/zinc/33/93/97/806339397.db2.gz XPBCVSBZDQNCAU-AWEZNQCLSA-N 2 2 283.322 0.808 20 0 CCADLP COc1c(C)c[nH+]c(CN2CC[NH2+]C[C@]23CC[NH2+]C3)c1C ZINC001234995654 806340960 /nfs/dbraw/zinc/34/09/60/806340960.db2.gz YDYBGVMKHWOQQT-MRXNPFEDSA-N 3 2 290.411 0.844 20 0 CCADLP COc1c(C)c[nH+]c(CN2CCNC[C@]23CC[NH2+]C3)c1C ZINC001234995654 806340970 /nfs/dbraw/zinc/34/09/70/806340970.db2.gz YDYBGVMKHWOQQT-MRXNPFEDSA-N 2 2 290.411 0.844 20 0 CCADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235051929 806352824 /nfs/dbraw/zinc/35/28/24/806352824.db2.gz CIYHVDSGAOBGNH-FRRDWIJNSA-N 3 2 288.386 0.115 20 0 CCADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235051929 806352834 /nfs/dbraw/zinc/35/28/34/806352834.db2.gz CIYHVDSGAOBGNH-FRRDWIJNSA-N 3 2 288.386 0.115 20 0 CCADLP c1cc2nonc2c(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235053421 806354962 /nfs/dbraw/zinc/35/49/62/806354962.db2.gz SFJOFNCRASBRAB-CQSZACIVSA-N 2 2 273.340 0.360 20 0 CCADLP c1cc2nonc2c(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)c1 ZINC001235053421 806354971 /nfs/dbraw/zinc/35/49/71/806354971.db2.gz SFJOFNCRASBRAB-CQSZACIVSA-N 2 2 273.340 0.360 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001235140819 806377071 /nfs/dbraw/zinc/37/70/71/806377071.db2.gz HCUDVOBZSZTDFL-GFCCVEGCSA-N 2 2 250.346 0.895 20 0 CCADLP CC[N@H+]1CC[C@@H]1CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001235140819 806377081 /nfs/dbraw/zinc/37/70/81/806377081.db2.gz HCUDVOBZSZTDFL-GFCCVEGCSA-N 2 2 250.346 0.895 20 0 CCADLP CN(C[C@H]1CC[N@@H+]1CCF)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001235338250 806410805 /nfs/dbraw/zinc/41/08/05/806410805.db2.gz VXVUNIJDXSHGFA-CHWSQXEVSA-N 2 2 271.380 0.829 20 0 CCADLP CN(C[C@H]1CC[N@H+]1CCF)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001235338250 806410807 /nfs/dbraw/zinc/41/08/07/806410807.db2.gz VXVUNIJDXSHGFA-CHWSQXEVSA-N 2 2 271.380 0.829 20 0 CCADLP COCC[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001277945442 806425329 /nfs/dbraw/zinc/42/53/29/806425329.db2.gz ANBRCUWDSILMFN-JTQLQIEISA-N 2 2 254.334 0.035 20 0 CCADLP Cc1ccc(N2CC[C@@H]3C[N@H+](CC[NH3+])C[C@@H]3C2)nn1 ZINC001235460394 806427286 /nfs/dbraw/zinc/42/72/86/806427286.db2.gz ZTRDDPNXUNSYRR-CHWSQXEVSA-N 2 2 261.373 0.502 20 0 CCADLP Cc1ccc(N2CC[C@@H]3C[N@@H+](CC[NH3+])C[C@@H]3C2)nn1 ZINC001235460394 806427295 /nfs/dbraw/zinc/42/72/95/806427295.db2.gz ZTRDDPNXUNSYRR-CHWSQXEVSA-N 2 2 261.373 0.502 20 0 CCADLP CC(=O)NC[C@@H]1c2[nH+]cn(C(C)C)c2CCN1C[C@H](C)[NH3+] ZINC001235514412 806441399 /nfs/dbraw/zinc/44/13/99/806441399.db2.gz GOBCCAFPZGSSLR-SMDDNHRTSA-N 2 2 293.415 0.847 20 0 CCADLP [NH3+]CC[NH+]1CCC2(C[C@@H](OCC3CC3)CO2)CC1 ZINC001235522797 806445384 /nfs/dbraw/zinc/44/53/84/806445384.db2.gz UBOCNCVVYXYXAQ-CYBMUJFWSA-N 2 2 254.374 0.995 20 0 CCADLP CCN1C[C@H]2CC[N@H+](C[C@H](C)[NH3+])CC[C@H]2S1(=O)=O ZINC001235541594 806450480 /nfs/dbraw/zinc/45/04/80/806450480.db2.gz MRLMDUZNHDOJNH-QJPTWQEYSA-N 2 2 275.418 0.080 20 0 CCADLP CCN1C[C@H]2CC[N@@H+](C[C@H](C)[NH3+])CC[C@H]2S1(=O)=O ZINC001235541594 806450485 /nfs/dbraw/zinc/45/04/85/806450485.db2.gz MRLMDUZNHDOJNH-QJPTWQEYSA-N 2 2 275.418 0.080 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1CC[C@H]2[C@@H](CC(=O)NCC3CC3)OC[C@H]2C1 ZINC001235567115 806456716 /nfs/dbraw/zinc/45/67/16/806456716.db2.gz DPBYQURBGCEFAP-ZGKBOVNRSA-N 2 2 295.427 0.587 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1CC[C@H]2[C@@H](CC(=O)NCC3CC3)OC[C@H]2C1 ZINC001235567115 806456722 /nfs/dbraw/zinc/45/67/22/806456722.db2.gz DPBYQURBGCEFAP-ZGKBOVNRSA-N 2 2 295.427 0.587 20 0 CCADLP CC(C)C(=O)N1CC[C@@H]2C[N@H+](C[C@H](C)[NH3+])CC[C@@H]21 ZINC001235594026 806468028 /nfs/dbraw/zinc/46/80/28/806468028.db2.gz OXXUZFKEYKGJCS-XQQFMLRXSA-N 2 2 253.390 0.912 20 0 CCADLP CC(C)C(=O)N1CC[C@@H]2C[N@@H+](C[C@H](C)[NH3+])CC[C@@H]21 ZINC001235594026 806468033 /nfs/dbraw/zinc/46/80/33/806468033.db2.gz OXXUZFKEYKGJCS-XQQFMLRXSA-N 2 2 253.390 0.912 20 0 CCADLP Cc1nc(CN2C[C@]3(CC[N@H+](CC[NH3+])C3)CC2=O)cs1 ZINC001235596880 806469425 /nfs/dbraw/zinc/46/94/25/806469425.db2.gz MEUDVBHHVRCFFI-CQSZACIVSA-N 2 2 294.424 0.835 20 0 CCADLP Cc1nc(CN2C[C@]3(CC[N@@H+](CC[NH3+])C3)CC2=O)cs1 ZINC001235596880 806469430 /nfs/dbraw/zinc/46/94/30/806469430.db2.gz MEUDVBHHVRCFFI-CQSZACIVSA-N 2 2 294.424 0.835 20 0 CCADLP F[C@@H]1C[NH2+]CC[C@H]1[NH2+]C1CCC2(CC1)OCCO2 ZINC001246084591 807146934 /nfs/dbraw/zinc/14/69/34/807146934.db2.gz FYFJCSXVVMFFAJ-VXGBXAGGSA-N 2 2 258.337 0.962 20 0 CCADLP Cn1cc(N2CC[C@@]3(CCC[N@H+](CC[NH3+])C3)C2=O)cn1 ZINC001235645275 806480375 /nfs/dbraw/zinc/48/03/75/806480375.db2.gz VVCJUSOEKVEODP-CQSZACIVSA-N 2 2 277.372 0.198 20 0 CCADLP Cn1cc(N2CC[C@@]3(CCC[N@@H+](CC[NH3+])C3)C2=O)cn1 ZINC001235645275 806480377 /nfs/dbraw/zinc/48/03/77/806480377.db2.gz VVCJUSOEKVEODP-CQSZACIVSA-N 2 2 277.372 0.198 20 0 CCADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(C[C@H](C)[NH3+])C2 ZINC001235644748 806480634 /nfs/dbraw/zinc/48/06/34/806480634.db2.gz PTGQRJQQAXSIDF-LBPRGKRZSA-N 2 2 280.420 0.671 20 0 CCADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(C[C@H](C)[NH3+])C2 ZINC001235644748 806480638 /nfs/dbraw/zinc/48/06/38/806480638.db2.gz PTGQRJQQAXSIDF-LBPRGKRZSA-N 2 2 280.420 0.671 20 0 CCADLP CCOC(=O)[C@@H]1CC[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001235832709 806507142 /nfs/dbraw/zinc/50/71/42/806507142.db2.gz CJABMLTWMLCOMY-MNOVXSKESA-N 2 2 256.346 0.596 20 0 CCADLP CCOC(=O)[C@@H]1CC[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001235832709 806507147 /nfs/dbraw/zinc/50/71/47/806507147.db2.gz CJABMLTWMLCOMY-MNOVXSKESA-N 2 2 256.346 0.596 20 0 CCADLP COC(=O)[C@@H]1C[C@H](C)C[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001235893623 806515039 /nfs/dbraw/zinc/51/50/39/806515039.db2.gz XPSUSDPIUTZAFZ-TUAOUCFPSA-N 2 2 270.373 0.842 20 0 CCADLP COC(=O)[C@@H]1C[C@H](C)C[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)C1 ZINC001235893623 806515045 /nfs/dbraw/zinc/51/50/45/806515045.db2.gz XPSUSDPIUTZAFZ-TUAOUCFPSA-N 2 2 270.373 0.842 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC(N3CCOC3=O)CC2)O1 ZINC001235959365 806520243 /nfs/dbraw/zinc/52/02/43/806520243.db2.gz OQOXITXITAAXPT-LBPRGKRZSA-N 2 2 283.372 0.628 20 0 CCADLP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1cccc(-c3nn[nH]n3)c1)C2 ZINC001235985324 806522120 /nfs/dbraw/zinc/52/21/20/806522120.db2.gz CATMIZXISHDOPU-GXTWGEPZSA-N 2 2 270.340 0.790 20 0 CCADLP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1cccc(-c3nn[nH]n3)c1)C2 ZINC001235985324 806522125 /nfs/dbraw/zinc/52/21/25/806522125.db2.gz CATMIZXISHDOPU-GXTWGEPZSA-N 2 2 270.340 0.790 20 0 CCADLP CCOC(=O)c1ccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])[nH]1 ZINC001235992493 806524092 /nfs/dbraw/zinc/52/40/92/806524092.db2.gz CSQKOSSKWHSEOS-BVUQATHDSA-N 2 2 293.367 0.597 20 0 CCADLP CCOC(=O)c1ccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])[nH]1 ZINC001235992493 806524097 /nfs/dbraw/zinc/52/40/97/806524097.db2.gz CSQKOSSKWHSEOS-BVUQATHDSA-N 2 2 293.367 0.597 20 0 CCADLP CCCn1cc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cn1 ZINC001235996276 806525901 /nfs/dbraw/zinc/52/59/01/806525901.db2.gz YLPGMCFEKGIUSM-PBWFPOADSA-N 2 2 264.373 0.699 20 0 CCADLP CCCn1cc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cn1 ZINC001235996276 806525905 /nfs/dbraw/zinc/52/59/05/806525905.db2.gz YLPGMCFEKGIUSM-PBWFPOADSA-N 2 2 264.373 0.699 20 0 CCADLP CCOc1ccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cn1 ZINC001235998540 806527111 /nfs/dbraw/zinc/52/71/11/806527111.db2.gz MPZCYISZOGKMFP-NNQSOWQGSA-N 2 2 277.368 0.886 20 0 CCADLP CCOc1ccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cn1 ZINC001235998540 806527119 /nfs/dbraw/zinc/52/71/19/806527119.db2.gz MPZCYISZOGKMFP-NNQSOWQGSA-N 2 2 277.368 0.886 20 0 CCADLP CCOC(=O)[C@]12C[N@H+](C[C@@H]3CC[NH2+]C3)C[C@H]1C[NH2+]CC2 ZINC001236039140 806533757 /nfs/dbraw/zinc/53/37/57/806533757.db2.gz WZDCKNGJNCPHBC-UMVBOHGHSA-N 3 2 281.400 0.071 20 0 CCADLP CCOC(=O)[C@]12C[N@@H+](C[C@@H]3CC[NH2+]C3)C[C@H]1C[NH2+]CC2 ZINC001236039140 806533764 /nfs/dbraw/zinc/53/37/64/806533764.db2.gz WZDCKNGJNCPHBC-UMVBOHGHSA-N 3 2 281.400 0.071 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([NH3+])CN1Cc1cc(OC)cc[nH+]1 ZINC001236200827 806554266 /nfs/dbraw/zinc/55/42/66/806554266.db2.gz KLUHTEVIBKYMGP-CABZTGNLSA-N 2 2 265.313 0.165 20 0 CCADLP [NH3+][C@H](Cc1ccccc1)C[NH+]1CCC2(CNC(=O)N2)CC1 ZINC001236230026 806556715 /nfs/dbraw/zinc/55/67/15/806556715.db2.gz VWACLMKDVLHDIK-CQSZACIVSA-N 2 2 288.395 0.704 20 0 CCADLP C[NH+](C)CCCN1CC2(CC[N@@H+]2Cc2cccc(=O)[nH]2)C1 ZINC001278049888 806639154 /nfs/dbraw/zinc/63/91/54/806639154.db2.gz UWMOCKFYFZDMLS-UHFFFAOYSA-N 2 2 290.411 0.999 20 0 CCADLP C[NH+](C)CCCN1CC2(CC[N@H+]2Cc2cccc(=O)[nH]2)C1 ZINC001278049888 806639160 /nfs/dbraw/zinc/63/91/60/806639160.db2.gz UWMOCKFYFZDMLS-UHFFFAOYSA-N 2 2 290.411 0.999 20 0 CCADLP Cn1c(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cccc1=O ZINC001237412371 806660736 /nfs/dbraw/zinc/66/07/36/806660736.db2.gz IGGOXSDPSUYQEZ-GXTWGEPZSA-N 2 2 261.369 0.959 20 0 CCADLP Cn1c(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)cccc1=O ZINC001237412371 806660741 /nfs/dbraw/zinc/66/07/41/806660741.db2.gz IGGOXSDPSUYQEZ-GXTWGEPZSA-N 2 2 261.369 0.959 20 0 CCADLP O[C@@H](C[NH2+][C@H]1Cc2c[nH+]cn2C1)C1(O)CCCC1 ZINC001120515952 798843748 /nfs/dbraw/zinc/84/37/48/798843748.db2.gz LVHQWKAWEYZKLU-JQWIXIFHSA-N 2 2 251.330 0.063 20 0 CCADLP C[C@H](F)CCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001120535435 798851703 /nfs/dbraw/zinc/85/17/03/798851703.db2.gz DMDFFPCJNWONEJ-JTQLQIEISA-N 2 2 260.357 0.457 20 0 CCADLP C[C@@H]1C[N@@H+](CCCNc2cc[nH+]c(N)n2)C[C@H](C)O1 ZINC001120796809 798938864 /nfs/dbraw/zinc/93/88/64/798938864.db2.gz FXBPLWLJWNKVFH-PHIMTYICSA-N 2 2 265.361 0.970 20 0 CCADLP C[C@@H]1C[N@H+](CCCNc2cc[nH+]c(N)n2)C[C@H](C)O1 ZINC001120796809 798938868 /nfs/dbraw/zinc/93/88/68/798938868.db2.gz FXBPLWLJWNKVFH-PHIMTYICSA-N 2 2 265.361 0.970 20 0 CCADLP C[C@@H](CNc1nccnc1C[NH3+])C[NH+]1CCOCC1 ZINC001120899389 798958071 /nfs/dbraw/zinc/95/80/71/798958071.db2.gz PFTHHIPUDGRAEK-NSHDSACASA-N 2 2 265.361 0.316 20 0 CCADLP O=C(N1CCC[C@H](c2[nH]cc[nH+]2)C1)C12CC(C1)C[NH2+]2 ZINC001121988597 799115022 /nfs/dbraw/zinc/11/50/22/799115022.db2.gz MKZCRNSDJFVNDD-CVZZAPKMSA-N 2 2 260.341 0.868 20 0 CCADLP O=C(NCC1=CC[NH2+]CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001122015264 799122209 /nfs/dbraw/zinc/12/22/09/799122209.db2.gz MKLJJNRNBNRVHD-GFCCVEGCSA-N 2 2 260.341 0.481 20 0 CCADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H]([NH3+])CO ZINC001122050731 799131052 /nfs/dbraw/zinc/13/10/52/799131052.db2.gz VRYLGSUFJFTSIQ-LLVKDONJSA-N 2 2 268.361 0.004 20 0 CCADLP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC001122108486 799146530 /nfs/dbraw/zinc/14/65/30/799146530.db2.gz POGCFMGXEMIRCT-MRVWCRGKSA-N 2 2 259.353 0.884 20 0 CCADLP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC001122108486 799146535 /nfs/dbraw/zinc/14/65/35/799146535.db2.gz POGCFMGXEMIRCT-MRVWCRGKSA-N 2 2 259.353 0.884 20 0 CCADLP Cc1ocnc1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001122157728 799157621 /nfs/dbraw/zinc/15/76/21/799157621.db2.gz UPHCPFVCADMWTJ-UHFFFAOYSA-N 2 2 252.318 0.136 20 0 CCADLP CC[C@@H]1CC[C@H](C(=O)NCC[NH+]2CCC([NH3+])CC2)O1 ZINC001122238917 799177090 /nfs/dbraw/zinc/17/70/90/799177090.db2.gz KHPIXMBLRWVOKZ-CHWSQXEVSA-N 2 2 269.389 0.483 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C1([NH3+])CCCC1 ZINC001122526063 799256752 /nfs/dbraw/zinc/25/67/52/799256752.db2.gz POPKDONPNDSTHG-LBPRGKRZSA-N 2 2 269.389 0.437 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@]1(C)CC[NH2+]C1 ZINC001122615074 799275359 /nfs/dbraw/zinc/27/53/59/799275359.db2.gz IFGAMJKMYGVOOP-GXTWGEPZSA-N 2 2 269.389 0.165 20 0 CCADLP CCc1nnc([C@H](C)[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001124879595 799643580 /nfs/dbraw/zinc/64/35/80/799643580.db2.gz XCBZHULPENEAOI-WDEREUQCSA-N 2 2 295.387 0.493 20 0 CCADLP CCc1nnc([C@H](C)[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001124879595 799643584 /nfs/dbraw/zinc/64/35/84/799643584.db2.gz XCBZHULPENEAOI-WDEREUQCSA-N 2 2 295.387 0.493 20 0 CCADLP COc1cccc(C[N@H+](C)CCN2CC[NH+](C)CC2)n1 ZINC001137534362 799671615 /nfs/dbraw/zinc/67/16/15/799671615.db2.gz STCFUFCGNCZHIG-UHFFFAOYSA-N 2 2 278.400 0.769 20 0 CCADLP CN(C)c1ccc(C[NH+]2CCN(CC[NH+](C)C)CC2)cn1 ZINC001139453098 799817065 /nfs/dbraw/zinc/81/70/65/799817065.db2.gz FPOPXRBTPHAZQF-UHFFFAOYSA-N 2 2 291.443 0.827 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC001139854910 799849571 /nfs/dbraw/zinc/84/95/71/799849571.db2.gz CHFMQVYYJXAZSR-YNEHKIRRSA-N 2 2 269.364 0.725 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC001139854910 799849582 /nfs/dbraw/zinc/84/95/82/799849582.db2.gz CHFMQVYYJXAZSR-YNEHKIRRSA-N 2 2 269.364 0.725 20 0 CCADLP C[C@H](O)CCC[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001203051872 799924895 /nfs/dbraw/zinc/92/48/95/799924895.db2.gz JGDUWKISLYHPCI-LBPRGKRZSA-N 2 2 294.399 0.694 20 0 CCADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+](Cc1cn[nH]c1)CC2 ZINC001203088477 799975613 /nfs/dbraw/zinc/97/56/13/799975613.db2.gz DOGBXOBHRPCMJM-UHFFFAOYSA-N 2 2 291.399 0.586 20 0 CCADLP CNC(=O)C[N@H+]1CCCC12CC[NH+](Cc1cn[nH]c1)CC2 ZINC001203088477 799975616 /nfs/dbraw/zinc/97/56/16/799975616.db2.gz DOGBXOBHRPCMJM-UHFFFAOYSA-N 2 2 291.399 0.586 20 0 CCADLP Cc1c[nH+]ccc1O[C@H]1CCN(C(=O)C2C[NH+](C)C2)C1 ZINC001142595573 800137518 /nfs/dbraw/zinc/13/75/18/800137518.db2.gz FEYAVTTZOOJOMS-ZDUSSCGKSA-N 2 2 275.352 0.931 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001142918353 800172896 /nfs/dbraw/zinc/17/28/96/800172896.db2.gz AOHQTGJRYVNNHX-ZDUSSCGKSA-N 2 2 297.399 0.178 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001142918353 800172899 /nfs/dbraw/zinc/17/28/99/800172899.db2.gz AOHQTGJRYVNNHX-ZDUSSCGKSA-N 2 2 297.399 0.178 20 0 CCADLP Cc1cc(C)c(C)c(S(=O)(=O)NCC[NH2+]CC[NH3+])c1C ZINC001238840060 806810327 /nfs/dbraw/zinc/81/03/27/806810327.db2.gz ZKGCWLJWDBBSGF-UHFFFAOYSA-N 2 2 299.440 0.747 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC001150060133 800313601 /nfs/dbraw/zinc/31/36/01/800313601.db2.gz QJRXJHSXGXDKFQ-CYBMUJFWSA-N 2 2 294.399 0.614 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC001150060133 800313605 /nfs/dbraw/zinc/31/36/05/800313605.db2.gz QJRXJHSXGXDKFQ-CYBMUJFWSA-N 2 2 294.399 0.614 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)Cn2cc[nH+]c2C)o1 ZINC001151121165 800400910 /nfs/dbraw/zinc/40/09/10/800400910.db2.gz CTDUNNDQVXDIJZ-VIFPVBQESA-N 2 2 292.343 0.350 20 0 CCADLP Cc1nc(C)c(C[NH2+]CCNC(=O)Cn2cc[nH+]c2C)o1 ZINC001151114266 800401621 /nfs/dbraw/zinc/40/16/21/800401621.db2.gz HMEMWWOUBXHIRW-UHFFFAOYSA-N 2 2 291.355 0.702 20 0 CCADLP CCCC[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001151815181 800461249 /nfs/dbraw/zinc/46/12/49/800461249.db2.gz QIQAQCRVKNFXTG-AWEZNQCLSA-N 2 2 283.416 0.603 20 0 CCADLP O=C(C[N@@H+]1CCc2sccc2C1)NCC[NH2+]CCCO ZINC001152201712 800500735 /nfs/dbraw/zinc/50/07/35/800500735.db2.gz FNNCNYJULBTIJD-UHFFFAOYSA-N 2 2 297.424 0.194 20 0 CCADLP O=C(C[N@H+]1CCc2sccc2C1)NCC[NH2+]CCCO ZINC001152201712 800500739 /nfs/dbraw/zinc/50/07/39/800500739.db2.gz FNNCNYJULBTIJD-UHFFFAOYSA-N 2 2 297.424 0.194 20 0 CCADLP O=C(CCC[NH+]1CCCC1)NCC[NH2+]Cc1ncccn1 ZINC001152224326 800502955 /nfs/dbraw/zinc/50/29/55/800502955.db2.gz UZYQWINQXZGPRX-UHFFFAOYSA-N 2 2 291.399 0.558 20 0 CCADLP Cc1nonc1C[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152223178 800502983 /nfs/dbraw/zinc/50/29/83/800502983.db2.gz IFEPJERTYXSZKO-UHFFFAOYSA-N 2 2 295.387 0.460 20 0 CCADLP O=C(CCC[NH+]1CCCC1)NCC[NH2+]Cc1cnon1 ZINC001152236925 800504217 /nfs/dbraw/zinc/50/42/17/800504217.db2.gz IIPOBLPVWXMSKL-UHFFFAOYSA-N 2 2 281.360 0.151 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NCC[NH2+]Cc1ccon1 ZINC001152433055 800521216 /nfs/dbraw/zinc/52/12/16/800521216.db2.gz SDRUWOUAYCZVGX-UHFFFAOYSA-N 2 2 254.334 0.221 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NCC[NH2+]Cc1ccon1 ZINC001152433055 800521219 /nfs/dbraw/zinc/52/12/19/800521219.db2.gz SDRUWOUAYCZVGX-UHFFFAOYSA-N 2 2 254.334 0.221 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NCC[NH2+]Cc1ccccn1 ZINC001153339412 800623272 /nfs/dbraw/zinc/62/32/72/800623272.db2.gz PWUNDPUKAFPHLP-UHFFFAOYSA-N 2 2 287.367 0.964 20 0 CCADLP Cc1nocc1C[NH2+]CCNC(=O)CCCn1cc[nH+]c1 ZINC001153344719 800624847 /nfs/dbraw/zinc/62/48/47/800624847.db2.gz IJLXHVRVDRGQRL-UHFFFAOYSA-N 2 2 291.355 0.866 20 0 CCADLP CCOCC[NH2+]CCNC(=O)CCCn1cc[nH+]c1 ZINC001153356543 800625658 /nfs/dbraw/zinc/62/56/58/800625658.db2.gz QTPLURNNTQMLOR-UHFFFAOYSA-N 2 2 268.361 0.406 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]Cc1cccnc1 ZINC001153487932 800633948 /nfs/dbraw/zinc/63/39/48/800633948.db2.gz SYGQTZQMMNIJBX-UHFFFAOYSA-N 2 2 259.313 0.184 20 0 CCADLP CC[N@H+](CCO)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001154015752 800703509 /nfs/dbraw/zinc/70/35/09/800703509.db2.gz UYEOEPFLPLFXLB-LLVKDONJSA-N 2 2 290.367 0.995 20 0 CCADLP CC[N@@H+](CCO)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001154015752 800703515 /nfs/dbraw/zinc/70/35/15/800703515.db2.gz UYEOEPFLPLFXLB-LLVKDONJSA-N 2 2 290.367 0.995 20 0 CCADLP CC[N@H+](CCF)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001154344722 800764531 /nfs/dbraw/zinc/76/45/31/800764531.db2.gz LOOUAEUYYAAXNM-GFCCVEGCSA-N 2 2 270.352 0.988 20 0 CCADLP CC[N@@H+](CCF)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001154344722 800764536 /nfs/dbraw/zinc/76/45/36/800764536.db2.gz LOOUAEUYYAAXNM-GFCCVEGCSA-N 2 2 270.352 0.988 20 0 CCADLP COC(=O)c1ccnc(-n2c[nH+]cc2C2CC[NH2+]CC2)n1 ZINC001155054470 800899681 /nfs/dbraw/zinc/89/96/81/800899681.db2.gz YPWPDBPSWMZEDG-UHFFFAOYSA-N 2 2 287.323 0.916 20 0 CCADLP CCOC(=O)c1c[nH]c2cc(N[C@@H]3COC[C@@H]3[NH3+])[nH+]cc21 ZINC001155353937 800957232 /nfs/dbraw/zinc/95/72/32/800957232.db2.gz UQBCVVHKBDWPGO-CMPLNLGQSA-N 2 2 290.323 0.878 20 0 CCADLP [NH3+]CC1C[NH+]([C@H]2CCCN(c3cccc(Cl)[n+]3[O-])C2)C1 ZINC001155373676 800961574 /nfs/dbraw/zinc/96/15/74/800961574.db2.gz SCBQENHTVGNTKU-LBPRGKRZSA-N 2 2 296.802 0.833 20 0 CCADLP Cc1nc2[nH]ccc2c(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)[nH+]1 ZINC001155483656 800987166 /nfs/dbraw/zinc/98/71/66/800987166.db2.gz YPZLQWFFMRCIOC-YUSALJHKSA-N 2 2 273.340 0.913 20 0 CCADLP Cc1nc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)cc(C(C)C)[nH+]1 ZINC001155571140 801010103 /nfs/dbraw/zinc/01/01/03/801010103.db2.gz RWGDVDGVSONLEP-SMDDNHRTSA-N 2 2 275.356 0.898 20 0 CCADLP Cc1nc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)c2c([nH+]1)CCC2 ZINC001155576384 801013903 /nfs/dbraw/zinc/01/39/03/801013903.db2.gz QJMLHGLKASTEOI-RISCZKNCSA-N 2 2 273.340 0.264 20 0 CCADLP Cc1ncc(C[NH3+])c(=N)n1-c1cc(-n2cc[nH+]c2)ccn1 ZINC001156831388 801245166 /nfs/dbraw/zinc/24/51/66/801245166.db2.gz VFWFXKGAOIJCTN-UHFFFAOYSA-N 2 2 281.323 0.700 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@](C)([NH3+])Cc2ccc(F)cc2)CC1 ZINC001157451237 801387368 /nfs/dbraw/zinc/38/73/68/801387368.db2.gz QGKJWWKJWUBGMZ-HNNXBMFYSA-N 2 2 279.359 0.860 20 0 CCADLP COCC1CN(C(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)C1 ZINC001157522320 801404558 /nfs/dbraw/zinc/40/45/58/801404558.db2.gz QWHVTRVIOTVXOR-ZDUSSCGKSA-N 2 2 263.341 0.364 20 0 CCADLP CC(C)[NH+]1CC(Nc2ccnc(N3CC[NH+](C)CC3)n2)C1 ZINC001157530543 801407460 /nfs/dbraw/zinc/40/74/60/801407460.db2.gz ZQRKSWDEGZAZFJ-UHFFFAOYSA-N 2 2 290.415 0.733 20 0 CCADLP Cc1cc2c(ncnc2NC(=[NH2+])N2CC[NH+](C)CC2)[nH]1 ZINC001157914808 801518689 /nfs/dbraw/zinc/51/86/89/801518689.db2.gz LBQANXPVTCTWGP-UHFFFAOYSA-N 2 2 273.344 0.860 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ncc(N)cc2Cl)CC1 ZINC001157915250 801520646 /nfs/dbraw/zinc/52/06/46/801520646.db2.gz NDWXDYBIANGANT-UHFFFAOYSA-N 2 2 268.752 0.911 20 0 CCADLP C[C@]1(F)CCN(C(=O)C2([NH3+])CC[NH2+]CC2)C[C@H]1F ZINC001157926337 801522454 /nfs/dbraw/zinc/52/24/54/801522454.db2.gz OUYZFQWSLXWFEW-KOLCDFICSA-N 2 2 261.316 0.366 20 0 CCADLP C[C@]1(CF)CC(F)(F)CN1C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001157952165 801538483 /nfs/dbraw/zinc/53/84/83/801538483.db2.gz OIEVSKMQSSUMFH-SNVBAGLBSA-N 2 2 279.306 0.663 20 0 CCADLP O=C([C@H]1C[NH2+]CCC1=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157970578 801544036 /nfs/dbraw/zinc/54/40/36/801544036.db2.gz RJRJROXVDKINME-KBPBESRZSA-N 2 2 287.363 0.338 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2cccnc2n1 ZINC001158203725 801591981 /nfs/dbraw/zinc/59/19/81/801591981.db2.gz GVULXUYVHWMIEG-LLVKDONJSA-N 2 2 269.308 0.678 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nc2ccc(Cl)nc2[nH]1 ZINC001158206523 801594322 /nfs/dbraw/zinc/59/43/22/801594322.db2.gz SWVRVMQHWHWZSC-SSDOTTSWSA-N 2 2 292.730 0.659 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncc(F)c2cc[nH]c21 ZINC001158206468 801594685 /nfs/dbraw/zinc/59/46/85/801594685.db2.gz QFXDODPQVNQOAO-MRVPVSSYSA-N 2 2 275.287 0.750 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNc1ccc2c(n1)CC[NH2+]C2 ZINC001158701502 801685855 /nfs/dbraw/zinc/68/58/55/801685855.db2.gz KVSCYJJRWXFPDV-GFCCVEGCSA-N 2 2 262.357 0.470 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNc1ccc2c(n1)CC[NH2+]C2 ZINC001158701502 801685857 /nfs/dbraw/zinc/68/58/57/801685857.db2.gz KVSCYJJRWXFPDV-GFCCVEGCSA-N 2 2 262.357 0.470 20 0 CCADLP CCOCC[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159547144 801831806 /nfs/dbraw/zinc/83/18/06/801831806.db2.gz LMQRMAOMZIIXAD-UHFFFAOYSA-N 2 2 268.361 0.475 20 0 CCADLP CCOCC[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159547144 801831813 /nfs/dbraw/zinc/83/18/13/801831813.db2.gz LMQRMAOMZIIXAD-UHFFFAOYSA-N 2 2 268.361 0.475 20 0 CCADLP COCCOCC[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159537176 801832652 /nfs/dbraw/zinc/83/26/52/801832652.db2.gz NQFHRKHLKAEVES-UHFFFAOYSA-N 2 2 298.387 0.101 20 0 CCADLP COCCOCC[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159537176 801832664 /nfs/dbraw/zinc/83/26/64/801832664.db2.gz NQFHRKHLKAEVES-UHFFFAOYSA-N 2 2 298.387 0.101 20 0 CCADLP CC[NH+](CC)C[C@@H]1CN(Cc2c[nH+]cn2C)CCO1 ZINC001204389020 801887383 /nfs/dbraw/zinc/88/73/83/801887383.db2.gz KZZFQWIAIGEYOX-CQSZACIVSA-N 2 2 266.389 0.963 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2C[C@H]1C[C@H]2F ZINC001160428135 801939205 /nfs/dbraw/zinc/93/92/05/801939205.db2.gz PVMWEWBIRCTBOH-CPOMMVLXSA-N 2 2 252.293 0.238 20 0 CCADLP C[NH2+]Cc1ccc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)cc1 ZINC001160443289 801941740 /nfs/dbraw/zinc/94/17/40/801941740.db2.gz GIZHPGVWPRKBLA-ZDUSSCGKSA-N 3 2 273.340 0.638 20 0 CCADLP COc1ccccc1CCN(C)C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001160597306 801979751 /nfs/dbraw/zinc/97/97/51/801979751.db2.gz RPUJOECESZLIDR-UHFFFAOYSA-N 2 2 291.395 0.777 20 0 CCADLP COC(=O)[C@@]1(C)CCCN(C(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001160635223 801983965 /nfs/dbraw/zinc/98/39/65/801983965.db2.gz HPWDHGOPAWBVTO-RISCZKNCSA-N 2 2 294.355 0.081 20 0 CCADLP COC(=O)[C@]1(C)CCCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)C1 ZINC001160635224 801985069 /nfs/dbraw/zinc/98/50/69/801985069.db2.gz HPWDHGOPAWBVTO-SMDDNHRTSA-N 2 2 294.355 0.081 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2CC[C@@H]([NH3+])[C@@H](F)C2)cc1 ZINC001160650062 801990759 /nfs/dbraw/zinc/99/07/59/801990759.db2.gz QSZHNQLBGIXDGR-YNEHKIRRSA-N 3 2 280.347 0.156 20 0 CCADLP O=C([C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1)N1CCc2[nH+]ccn2CC1 ZINC001160760420 802017114 /nfs/dbraw/zinc/01/71/14/802017114.db2.gz LDQYLNIZLZTTRP-RWMBFGLXSA-N 2 2 290.367 0.035 20 0 CCADLP CO[C@H](C)C[NH2+]CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001161215778 802108862 /nfs/dbraw/zinc/10/88/62/802108862.db2.gz ZTDNXRYCAMXVEU-OLZOCXBDSA-N 2 2 294.399 0.576 20 0 CCADLP C[C@H]1CN(C(=O)[C@H]2C[NH2+]CC(F)(F)C2)C[C@H](C)[NH2+]1 ZINC001161229689 802112399 /nfs/dbraw/zinc/11/23/99/802112399.db2.gz QTWCJLXFJHSMCT-LPEHRKFASA-N 2 2 261.316 0.440 20 0 CCADLP CC(C)(C)CN(C(=O)C1(F)C[NH2+]C1)C1CC[NH2+]CC1 ZINC001161257627 802117007 /nfs/dbraw/zinc/11/70/07/802117007.db2.gz ADSXOJORDHTGPU-UHFFFAOYSA-N 2 2 271.380 0.925 20 0 CCADLP O=C(NCCC[NH2+]CCCF)[C@H]1CCn2cc[nH+]c2C1 ZINC001161314564 802123913 /nfs/dbraw/zinc/12/39/13/802123913.db2.gz CTVAULTVUHHIHZ-LBPRGKRZSA-N 2 2 282.363 0.901 20 0 CCADLP CC(C)C[C@@](C)([NH3+])C(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161378834 802141651 /nfs/dbraw/zinc/14/16/51/802141651.db2.gz NIHLTAFXIVKXHE-GDBMZVCRSA-N 3 2 296.459 0.774 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CC[C@H]([NH+]3CCC([NH3+])CC3)C2)C1 ZINC001161379354 802141744 /nfs/dbraw/zinc/14/17/44/802141744.db2.gz OFJIOPPDZCMYTC-VHDGCEQUSA-N 3 2 294.443 0.399 20 0 CCADLP [NH3+]C[C@@H](O)CC(=O)N1CC[C@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001161470211 802160271 /nfs/dbraw/zinc/16/02/71/802160271.db2.gz CVZNCJVNFAIMHK-QWRGUYRKSA-N 2 2 291.342 0.028 20 0 CCADLP COc1cc2c(cn1)CCN(C(=O)C1([NH3+])CC[NH2+]CC1)C2 ZINC001161526018 802169536 /nfs/dbraw/zinc/16/95/36/802169536.db2.gz AUPRUHNBGZIZMU-UHFFFAOYSA-N 2 2 290.367 0.056 20 0 CCADLP C[C@H]([NH3+])c1ncc(C(=O)N2CC3(C2)C[NH+](C)C3)s1 ZINC001161532869 802172592 /nfs/dbraw/zinc/17/25/92/802172592.db2.gz YWBSEACKLXVDTJ-QMMMGPOBSA-N 2 2 266.370 0.550 20 0 CCADLP [NH3+][C@@H](C(=O)N1CC[NH2+]C2(CC2)C1)c1cccs1 ZINC001161544232 802173573 /nfs/dbraw/zinc/17/35/73/802173573.db2.gz WQIQNKNBTOVOMD-SNVBAGLBSA-N 2 2 251.355 0.712 20 0 CCADLP C[NH+](C)CC(=O)N[C@H]1CC[C@H](Nc2cc[nH+]c(N)n2)CC1 ZINC001161667908 802197378 /nfs/dbraw/zinc/19/73/78/802197378.db2.gz REMYGWCXTBNWSV-XYPYZODXSA-N 2 2 292.387 0.460 20 0 CCADLP CCOC(=O)[C@H]([NH3+])CNc1ccc(C[NH+]2CCCC2)cn1 ZINC001161949693 802255384 /nfs/dbraw/zinc/25/53/84/802255384.db2.gz FJLGZNYNWYWLGB-CYBMUJFWSA-N 2 2 292.383 0.980 20 0 CCADLP c1ncn(CCCNc2ccc(N3CC[NH2+]CC3)c[nH+]2)n1 ZINC001161962525 802259709 /nfs/dbraw/zinc/25/97/09/802259709.db2.gz SOLKVUFLSSAWPE-UHFFFAOYSA-N 2 2 287.371 0.585 20 0 CCADLP [NH3+][C@H]1COC[C@H]1Nc1cc(O[C@H]2CCOC2)cc[nH+]1 ZINC001162926058 802439881 /nfs/dbraw/zinc/43/98/81/802439881.db2.gz KKOUWEGGTJLJMD-SDDRHHMPSA-N 2 2 265.313 0.387 20 0 CCADLP CC(=O)NCc1ccc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)[nH+]c1 ZINC001163102037 802482429 /nfs/dbraw/zinc/48/24/29/802482429.db2.gz JMTNTYDWKXFKBV-MGPQQGTHSA-N 2 2 290.367 0.364 20 0 CCADLP Cc1nc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)c2c([nH+]1)CCCC2 ZINC001163240621 802513257 /nfs/dbraw/zinc/51/32/57/802513257.db2.gz ZIRYMDVLRKWLNR-IUODEOHRSA-N 2 2 287.367 0.654 20 0 CCADLP COCCOc1cc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)cc[nH+]1 ZINC001163348213 802541901 /nfs/dbraw/zinc/54/19/01/802541901.db2.gz WNFARKZWMAKNCW-DYEKYZERSA-N 2 2 279.340 0.648 20 0 CCADLP C[C@H]1CC[C@H](C[NH3+])N(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001164060670 802663666 /nfs/dbraw/zinc/66/36/66/802663666.db2.gz BIQWSJZVOOYHCL-QWHCGFSZSA-N 2 2 291.399 0.877 20 0 CCADLP CN(C[C@@H]1CC[NH2+]C1)c1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001165124302 802786281 /nfs/dbraw/zinc/78/62/81/802786281.db2.gz HWEHFTZIKVVDFK-CQSZACIVSA-N 3 2 289.427 0.879 20 0 CCADLP CCN(C)c1cc[nH+]c(N2C[C@H]3C[NH+](C)C[C@@H]3C2)n1 ZINC001165145581 802787992 /nfs/dbraw/zinc/78/79/92/802787992.db2.gz RQKYRYQGFHZZFP-VXGBXAGGSA-N 2 2 261.373 0.931 20 0 CCADLP Cc1nc(-n2cncn2)cc(N2CC[C@@]3(C2)CCC[NH2+]C3)[nH+]1 ZINC001165243559 802802991 /nfs/dbraw/zinc/80/29/91/802802991.db2.gz OJIVCQKXXDJQBZ-HNNXBMFYSA-N 2 2 299.382 0.946 20 0 CCADLP [NH3+]C1CCN(c2cccc(N3CC[C@H]4C[C@@]4([NH3+])C3)[nH+]2)CC1 ZINC001165328809 802822726 /nfs/dbraw/zinc/82/27/26/802822726.db2.gz ZVPZXWHTLIJZGM-BLLLJJGKSA-N 3 2 287.411 0.937 20 0 CCADLP Cn1cc2c(n1)CCN(c1ccc(N3CC[NH2+]CC3)c[nH+]1)C2 ZINC001166749251 802956846 /nfs/dbraw/zinc/95/68/46/802956846.db2.gz DBHWBHFKWBQMDJ-UHFFFAOYSA-N 2 2 298.394 0.787 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[NH2+]CCCF ZINC001166961443 802997083 /nfs/dbraw/zinc/99/70/83/802997083.db2.gz PENPILIGJVKBRA-VXGBXAGGSA-N 2 2 282.363 0.979 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+]CCCO)C12CCC2 ZINC001203444293 803027318 /nfs/dbraw/zinc/02/73/18/803027318.db2.gz RKZKJEACDAYRAQ-STQMWFEESA-N 2 2 292.383 0.352 20 0 CCADLP CCOCCC[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001204084215 803064469 /nfs/dbraw/zinc/06/44/69/803064469.db2.gz RNLHQTNZIQHIPK-UHFFFAOYSA-N 2 2 294.399 0.890 20 0 CCADLP COc1ccc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)nc1OC ZINC001205671422 803152474 /nfs/dbraw/zinc/15/24/74/803152474.db2.gz BMCMEIBGFHYCTM-OAHLLOKOSA-N 2 2 295.383 0.775 20 0 CCADLP COc1ccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)nc1OC ZINC001205671422 803152476 /nfs/dbraw/zinc/15/24/76/803152476.db2.gz BMCMEIBGFHYCTM-OAHLLOKOSA-N 2 2 295.383 0.775 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@H+](CC[C@@H]2CCCC[NH2+]2)C1 ZINC001205664855 803153559 /nfs/dbraw/zinc/15/35/59/803153559.db2.gz PACDEXXJXSOKGK-KBPBESRZSA-N 3 2 255.406 0.694 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@@H+](CC[C@@H]2CCCC[NH2+]2)C1 ZINC001205664855 803153563 /nfs/dbraw/zinc/15/35/63/803153563.db2.gz PACDEXXJXSOKGK-KBPBESRZSA-N 3 2 255.406 0.694 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@H+](CC[C@H]2CCCC[NH2+]2)C1 ZINC001205664856 803153719 /nfs/dbraw/zinc/15/37/19/803153719.db2.gz PACDEXXJXSOKGK-KGLIPLIRSA-N 3 2 255.406 0.694 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@@H+](CC[C@H]2CCCC[NH2+]2)C1 ZINC001205664856 803153721 /nfs/dbraw/zinc/15/37/21/803153721.db2.gz PACDEXXJXSOKGK-KGLIPLIRSA-N 3 2 255.406 0.694 20 0 CCADLP CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001205945984 803189096 /nfs/dbraw/zinc/18/90/96/803189096.db2.gz GVFFYPOCCCKEQF-ZIAGYGMSSA-N 2 2 250.342 0.979 20 0 CCADLP CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001205945984 803189101 /nfs/dbraw/zinc/18/91/01/803189101.db2.gz GVFFYPOCCCKEQF-ZIAGYGMSSA-N 2 2 250.342 0.979 20 0 CCADLP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)ccc1C ZINC001205959666 803192438 /nfs/dbraw/zinc/19/24/38/803192438.db2.gz RQHIXDZQPNPSKI-CHWSQXEVSA-N 2 2 250.342 0.898 20 0 CCADLP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)ccc1C ZINC001205959666 803192440 /nfs/dbraw/zinc/19/24/40/803192440.db2.gz RQHIXDZQPNPSKI-CHWSQXEVSA-N 2 2 250.342 0.898 20 0 CCADLP CN(C)c1cc(F)cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1 ZINC001205983992 803195505 /nfs/dbraw/zinc/19/55/05/803195505.db2.gz QSFXOKUAJURKQO-ZIAGYGMSSA-N 2 2 267.348 0.786 20 0 CCADLP CN(C)c1cc(F)cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1 ZINC001205983992 803195508 /nfs/dbraw/zinc/19/55/08/803195508.db2.gz QSFXOKUAJURKQO-ZIAGYGMSSA-N 2 2 267.348 0.786 20 0 CCADLP COc1ccc(OC)c(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206464694 803246758 /nfs/dbraw/zinc/24/67/58/803246758.db2.gz SAXRDHBZYMBSLQ-WCQYABFASA-N 2 2 266.341 0.455 20 0 CCADLP COc1ccc(OC)c(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206464694 803246755 /nfs/dbraw/zinc/24/67/55/803246755.db2.gz SAXRDHBZYMBSLQ-WCQYABFASA-N 2 2 266.341 0.455 20 0 CCADLP COc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(C)n1 ZINC001206480547 803250340 /nfs/dbraw/zinc/25/03/40/803250340.db2.gz BJAQPRLBKITPSJ-NWDGAFQWSA-N 2 2 251.330 0.150 20 0 CCADLP COc1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c(C)n1 ZINC001206480547 803250345 /nfs/dbraw/zinc/25/03/45/803250345.db2.gz BJAQPRLBKITPSJ-NWDGAFQWSA-N 2 2 251.330 0.150 20 0 CCADLP COC(=O)c1ccc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1OC ZINC001206481675 803251926 /nfs/dbraw/zinc/25/19/26/803251926.db2.gz XXAFAUPKOWHCSY-WCQYABFASA-N 2 2 294.351 0.233 20 0 CCADLP COC(=O)c1ccc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1OC ZINC001206481675 803251932 /nfs/dbraw/zinc/25/19/32/803251932.db2.gz XXAFAUPKOWHCSY-WCQYABFASA-N 2 2 294.351 0.233 20 0 CCADLP CCOc1cc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)ccc1F ZINC001206480939 803252118 /nfs/dbraw/zinc/25/21/18/803252118.db2.gz MEMOWAVWHHXSMC-WCQYABFASA-N 2 2 268.332 0.976 20 0 CCADLP CCOc1cc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)ccc1F ZINC001206480939 803252121 /nfs/dbraw/zinc/25/21/21/803252121.db2.gz MEMOWAVWHHXSMC-WCQYABFASA-N 2 2 268.332 0.976 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](CCC[NH2+]C2CCCCC2)C[C@@H]1O ZINC001206511974 803256360 /nfs/dbraw/zinc/25/63/60/803256360.db2.gz FTLJLKQHBXRCJH-JSGCOSHPSA-N 3 2 255.406 0.550 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CCC[NH2+]C2CCCCC2)C[C@@H]1O ZINC001206511974 803256365 /nfs/dbraw/zinc/25/63/65/803256365.db2.gz FTLJLKQHBXRCJH-JSGCOSHPSA-N 3 2 255.406 0.550 20 0 CCADLP CCCCc1[nH]c(CN2C[C@H](O)[C@@H](C[NH3+])C2)c[nH+]1 ZINC001206525389 803259492 /nfs/dbraw/zinc/25/94/92/803259492.db2.gz PFTNBXPJJPFBRV-JQWIXIFHSA-N 2 2 252.362 0.504 20 0 CCADLP CCCCc1[nH]cc(CN2C[C@H](O)[C@@H](C[NH3+])C2)[nH+]1 ZINC001206525389 803259497 /nfs/dbraw/zinc/25/94/97/803259497.db2.gz PFTNBXPJJPFBRV-JQWIXIFHSA-N 2 2 252.362 0.504 20 0 CCADLP CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001207438778 803401439 /nfs/dbraw/zinc/40/14/39/803401439.db2.gz WYLPZZQWTYCNDD-TZMCWYRMSA-N 2 2 294.399 0.815 20 0 CCADLP CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001207438778 803401442 /nfs/dbraw/zinc/40/14/42/803401442.db2.gz WYLPZZQWTYCNDD-TZMCWYRMSA-N 2 2 294.399 0.815 20 0 CCADLP CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001207438778 803401445 /nfs/dbraw/zinc/40/14/45/803401445.db2.gz WYLPZZQWTYCNDD-TZMCWYRMSA-N 2 2 294.399 0.815 20 0 CCADLP CCOCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001207438778 803401449 /nfs/dbraw/zinc/40/14/49/803401449.db2.gz WYLPZZQWTYCNDD-TZMCWYRMSA-N 2 2 294.399 0.815 20 0 CCADLP CC[N@@H+]1CCC[C@H]([NH2+]CCCN2C(=O)NC(C)(C)C2=O)C1 ZINC001207812630 803453741 /nfs/dbraw/zinc/45/37/41/803453741.db2.gz FGSNGQMFOGLYPJ-LBPRGKRZSA-N 2 2 296.415 0.781 20 0 CCADLP CC[N@H+]1CCC[C@H]([NH2+]CCCN2C(=O)NC(C)(C)C2=O)C1 ZINC001207812630 803453745 /nfs/dbraw/zinc/45/37/45/803453745.db2.gz FGSNGQMFOGLYPJ-LBPRGKRZSA-N 2 2 296.415 0.781 20 0 CCADLP C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3cnccn3)CC2)C1 ZINC001208604339 803527418 /nfs/dbraw/zinc/52/74/18/803527418.db2.gz MCLHIJVIXRJXGJ-CQSZACIVSA-N 2 2 275.400 0.940 20 0 CCADLP C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3cnccn3)CC2)C1 ZINC001208604339 803527422 /nfs/dbraw/zinc/52/74/22/803527422.db2.gz MCLHIJVIXRJXGJ-CQSZACIVSA-N 2 2 275.400 0.940 20 0 CCADLP C[N@@H+]1CCC[C@H](C[NH+]2CCO[C@@H]3C[C@@H](CO)C[C@H]32)C1 ZINC001208608927 803527993 /nfs/dbraw/zinc/52/79/93/803527993.db2.gz XMFRHKJLIFSIQD-BYNSBNAKSA-N 2 2 268.401 0.800 20 0 CCADLP C[N@H+]1CCC[C@H](C[NH+]2CCO[C@@H]3C[C@@H](CO)C[C@H]32)C1 ZINC001208608927 803527995 /nfs/dbraw/zinc/52/79/95/803527995.db2.gz XMFRHKJLIFSIQD-BYNSBNAKSA-N 2 2 268.401 0.800 20 0 CCADLP C[NH+]1CCC[C@H](C[N@@H+]2CCO[C@@H]3C[C@@H](CO)C[C@H]32)C1 ZINC001208608927 803527999 /nfs/dbraw/zinc/52/79/99/803527999.db2.gz XMFRHKJLIFSIQD-BYNSBNAKSA-N 2 2 268.401 0.800 20 0 CCADLP C[NH+]1CCC[C@H](C[N@H+]2CCO[C@@H]3C[C@@H](CO)C[C@H]32)C1 ZINC001208608927 803528001 /nfs/dbraw/zinc/52/80/01/803528001.db2.gz XMFRHKJLIFSIQD-BYNSBNAKSA-N 2 2 268.401 0.800 20 0 CCADLP COCC[NH+]1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001209209911 803580254 /nfs/dbraw/zinc/58/02/54/803580254.db2.gz KGOFPRYBWFCPMY-UHFFFAOYSA-N 2 2 269.389 0.295 20 0 CCADLP Nc1cc[nH+]cc1C[N@@H+]1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001209731881 803626063 /nfs/dbraw/zinc/62/60/63/803626063.db2.gz VGKNFQHYJRAWFZ-UHFFFAOYSA-N 2 2 273.296 0.254 20 0 CCADLP Nc1cc[nH+]cc1C[N@H+]1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001209731881 803626065 /nfs/dbraw/zinc/62/60/65/803626065.db2.gz VGKNFQHYJRAWFZ-UHFFFAOYSA-N 2 2 273.296 0.254 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](Cc2c[nH+]ccc2N)CCCO1 ZINC001209733079 803626228 /nfs/dbraw/zinc/62/62/28/803626228.db2.gz PQSFSADLPUOBBP-LBPRGKRZSA-N 2 2 265.313 0.258 20 0 CCADLP C[C@]1(CO)CC[N@@H+](Cc2c[nH+]ccc2N)C[C@@H]1O ZINC001209730166 803626321 /nfs/dbraw/zinc/62/63/21/803626321.db2.gz UNJDYEHITRKTSC-QWHCGFSZSA-N 2 2 251.330 0.059 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](Cc2c[nH+]ccc2N)CCCO1 ZINC001209733079 803626226 /nfs/dbraw/zinc/62/62/26/803626226.db2.gz PQSFSADLPUOBBP-LBPRGKRZSA-N 2 2 265.313 0.258 20 0 CCADLP C[C@]1(CO)CC[N@H+](Cc2c[nH+]ccc2N)C[C@@H]1O ZINC001209730166 803626319 /nfs/dbraw/zinc/62/63/19/803626319.db2.gz UNJDYEHITRKTSC-QWHCGFSZSA-N 2 2 251.330 0.059 20 0 CCADLP CC[C@H](C[NH2+][C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1)OC ZINC001209835398 803631787 /nfs/dbraw/zinc/63/17/87/803631787.db2.gz APQUAYBZVJMQJF-GXTWGEPZSA-N 2 2 294.399 0.958 20 0 CCADLP C(C[NH+]1CCOCC1)OC1CC[NH+](C2CC2)CC1 ZINC001210206335 803641810 /nfs/dbraw/zinc/64/18/10/803641810.db2.gz CHCHSRAEHGMVJC-UHFFFAOYSA-N 2 2 254.374 0.962 20 0 CCADLP COCC[NH2+][C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001210898819 803663845 /nfs/dbraw/zinc/66/38/45/803663845.db2.gz CRAKBYAZYNXGJC-ZDUSSCGKSA-N 2 2 294.399 0.580 20 0 CCADLP COCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001216564977 803843642 /nfs/dbraw/zinc/84/36/42/803843642.db2.gz GBLWGRFKAMIKGF-ZWNOBZJWSA-N 2 2 280.372 0.344 20 0 CCADLP C[C@@H]1C[NH+](CCc2nnc([C@H]([NH3+])CCC[NH3+])o2)C[C@@H](C)O1 ZINC001217695316 803902289 /nfs/dbraw/zinc/90/22/89/803902289.db2.gz IIEBSVVUALIUKC-IJLUTSLNSA-N 3 2 297.403 0.460 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Oc2cccc(C[NH3+])c2)C[NH2+]1 ZINC001218172565 803934483 /nfs/dbraw/zinc/93/44/83/803934483.db2.gz LJMALWHGIUEALC-NEPJUHHUSA-N 2 2 250.298 0.428 20 0 CCADLP Cc1cnc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)nc1C ZINC001218496139 803962300 /nfs/dbraw/zinc/96/23/00/803962300.db2.gz IQKSLPUUMQFDPM-JTQLQIEISA-N 2 2 260.301 0.325 20 0 CCADLP [NH3+]C1(C(=O)Nc2ccncc2C(F)(F)F)CC[NH2+]CC1 ZINC001218498753 803966851 /nfs/dbraw/zinc/96/68/51/803966851.db2.gz XKEOSBQIGPOVKH-UHFFFAOYSA-N 2 2 288.273 0.542 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cccnc1-n1cccn1 ZINC001218504743 803971602 /nfs/dbraw/zinc/97/16/02/803971602.db2.gz WZPVMNKSZYVNNN-LLVKDONJSA-N 2 2 297.322 0.499 20 0 CCADLP CSc1nccc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)n1 ZINC001218510691 803977366 /nfs/dbraw/zinc/97/73/66/803977366.db2.gz XXLKPKPKYYNABA-QMMMGPOBSA-N 2 2 278.341 0.430 20 0 CCADLP Cc1sc(NC(=O)[C@@H]([NH3+])CC[NH3+])c(C(N)=O)c1C ZINC001218547030 803999497 /nfs/dbraw/zinc/99/94/97/803999497.db2.gz DXHPEEZAMBKDMM-ZETCQYMHSA-N 2 2 270.358 0.078 20 0 CCADLP CCc1nccnc1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218645265 804057248 /nfs/dbraw/zinc/05/72/48/804057248.db2.gz FCJZEFBPZJYTEN-UHFFFAOYSA-N 2 2 263.345 0.319 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cc(Cl)ncc1CO ZINC001218692572 804081407 /nfs/dbraw/zinc/08/14/07/804081407.db2.gz DULXELKKLQKLLA-VIFPVBQESA-N 2 2 295.730 0.459 20 0 CCADLP [NH3+]Cc1cncc(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)c1 ZINC001218705302 804090026 /nfs/dbraw/zinc/09/00/26/804090026.db2.gz NDEDOJBYULEEEN-CQSZACIVSA-N 3 2 285.351 0.751 20 0 CCADLP Cc1cc(NC(=O)C[NH2+]C2CC[NH2+]CC2)n(CCF)n1 ZINC001218742747 804103958 /nfs/dbraw/zinc/10/39/58/804103958.db2.gz BPWVCDDBPLHPJG-UHFFFAOYSA-N 2 2 283.351 0.441 20 0 CCADLP Nc1nc(Cl)ccc1NC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001218765991 804115745 /nfs/dbraw/zinc/11/57/45/804115745.db2.gz FQQMZIIFIOYEQI-UHFFFAOYSA-N 2 2 269.736 0.337 20 0 CCADLP C[NH2+]CCC(=O)Nc1[nH+]cnc2[nH]cc(C(=O)OC)c21 ZINC001218772645 804117785 /nfs/dbraw/zinc/11/77/85/804117785.db2.gz SHGKTOKNRZWJPF-UHFFFAOYSA-N 2 2 277.284 0.293 20 0 CCADLP COc1cc(NC(=O)[C@@H]([NH3+])CC[NH3+])ncc1C(F)(F)F ZINC001218795891 804124618 /nfs/dbraw/zinc/12/46/18/804124618.db2.gz OYLISZNDUIHXIJ-ZETCQYMHSA-N 2 2 292.261 0.724 20 0 CCADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@H]1[NH2+]CC[C@H]1O ZINC001218811762 804129461 /nfs/dbraw/zinc/12/94/61/804129461.db2.gz JQZKGRJHKQPOET-OLZOCXBDSA-N 2 2 272.308 0.534 20 0 CCADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[NH2+]CCN1 ZINC001218811718 804130433 /nfs/dbraw/zinc/13/04/33/804130433.db2.gz IVVOVJGOEXFCBL-ZDUSSCGKSA-N 2 2 271.324 0.372 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cccc(Cn2cccn2)c1 ZINC001218848255 804139224 /nfs/dbraw/zinc/13/92/24/804139224.db2.gz SKSAHVONMAQDTA-ZDUSSCGKSA-N 2 2 273.340 0.546 20 0 CCADLP Cn1ccc2cc(NC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])ccc21 ZINC001218862375 804140535 /nfs/dbraw/zinc/14/05/35/804140535.db2.gz PWSHDTUBUGAEQS-RYUDHWBXSA-N 2 2 258.325 0.664 20 0 CCADLP Cc1nc2c(cccc2NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)o1 ZINC001218864724 804141055 /nfs/dbraw/zinc/14/10/55/804141055.db2.gz GYRHYCUYDUBUJG-SCZZXKLOSA-N 2 2 260.297 0.764 20 0 CCADLP Cc1n[nH]c2cc(NC(=O)C3([NH3+])CC[NH2+]CC3)ccc12 ZINC001218931791 804160162 /nfs/dbraw/zinc/16/01/62/804160162.db2.gz JYHWMJHQXJPTCR-UHFFFAOYSA-N 2 2 273.340 0.891 20 0 CCADLP CC(=O)c1cc2c(cc1NC(=O)[C@@H]([NH3+])CC[NH3+])OCO2 ZINC001218933583 804161362 /nfs/dbraw/zinc/16/13/62/804161362.db2.gz ARVBBNUOCPNXLX-VIFPVBQESA-N 2 2 279.296 0.233 20 0 CCADLP Cc1cc(N)cc2sc(=N)n(C(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])c21 ZINC001218955696 804167122 /nfs/dbraw/zinc/16/71/22/804167122.db2.gz XOHNNOYEVVHNKL-IUCAKERBSA-N 2 2 291.380 0.260 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(CO)cc1 ZINC001219049021 804185218 /nfs/dbraw/zinc/18/52/18/804185218.db2.gz TXMFBDWXEZALSJ-LBPRGKRZSA-N 2 2 260.297 0.411 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc2c(c1)OCO2 ZINC001219552079 804342501 /nfs/dbraw/zinc/34/25/01/804342501.db2.gz RHJIAEBOCQJNCO-NSHDSACASA-N 2 2 288.307 0.325 20 0 CCADLP COCCCNC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001219558198 804348768 /nfs/dbraw/zinc/34/87/68/804348768.db2.gz MEHMDWWMEUTMGR-LBPRGKRZSA-N 2 2 251.330 0.411 20 0 CCADLP COc1ccc(C(=O)CNC(=O)C2([NH3+])CC[NH2+]CC2)cc1 ZINC001219559738 804350720 /nfs/dbraw/zinc/35/07/20/804350720.db2.gz IDRSKAVSJRGYMJ-UHFFFAOYSA-N 2 2 291.351 0.075 20 0 CCADLP [NH3+]C1(C(=O)NCc2ccc3c(c2)CCC3)CC[NH2+]CC1 ZINC001219571782 804356582 /nfs/dbraw/zinc/35/65/82/804356582.db2.gz PJJVKQAYZAUMRB-UHFFFAOYSA-N 2 2 273.380 0.872 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)C[NH2+]1 ZINC001219591939 804363843 /nfs/dbraw/zinc/36/38/43/804363843.db2.gz AOHSXFYHWGLEJY-BPNCWPANSA-N 3 2 276.384 0.515 20 0 CCADLP Cc1cnc(CCNC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)nc1 ZINC001219604687 804370645 /nfs/dbraw/zinc/37/06/45/804370645.db2.gz WKOPYKBAHPBXMQ-AWEZNQCLSA-N 2 2 299.378 0.716 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NCCN2CCCCO2)cc1 ZINC001219632317 804382925 /nfs/dbraw/zinc/38/29/25/804382925.db2.gz KKQSQNHVKGQSPF-AWEZNQCLSA-N 2 2 292.383 0.402 20 0 CCADLP C[C@@H]([NH3+])c1ncc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)s1 ZINC001219695203 804405955 /nfs/dbraw/zinc/40/59/55/804405955.db2.gz RCSMDYWISJQJHO-RKDXNWHRSA-N 2 2 284.385 0.223 20 0 CCADLP C[C@@H]([NH3+])c1ncc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)s1 ZINC001219695203 804405957 /nfs/dbraw/zinc/40/59/57/804405957.db2.gz RCSMDYWISJQJHO-RKDXNWHRSA-N 2 2 284.385 0.223 20 0 CCADLP C[C@H](NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)c1nc2ccccc2[nH]1 ZINC001219700718 804408263 /nfs/dbraw/zinc/40/82/63/804408263.db2.gz BSNKDHUHSJDCNW-XMZIXOGTSA-N 2 2 299.378 0.692 20 0 CCADLP Cc1cc(C)cc(OC[C@@H](C)NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c1 ZINC001219712567 804411258 /nfs/dbraw/zinc/41/12/58/804411258.db2.gz QTJZPSHXXXEGPI-SNPRPXQTSA-N 2 2 291.395 0.734 20 0 CCADLP CC(C)CC[N@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001219769397 804419292 /nfs/dbraw/zinc/41/92/92/804419292.db2.gz VVHCMPVXMRTQDS-KGLIPLIRSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)CC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001219769397 804419299 /nfs/dbraw/zinc/41/92/99/804419299.db2.gz VVHCMPVXMRTQDS-KGLIPLIRSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)CC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001219769397 804419300 /nfs/dbraw/zinc/41/93/00/804419300.db2.gz VVHCMPVXMRTQDS-KGLIPLIRSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)CC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001219769397 804419303 /nfs/dbraw/zinc/41/93/03/804419303.db2.gz VVHCMPVXMRTQDS-KGLIPLIRSA-N 2 2 294.399 0.550 20 0 CCADLP Cc1ccc(CCNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)c(C)c1 ZINC001219907854 804444744 /nfs/dbraw/zinc/44/47/44/804444744.db2.gz HNZXZBFKICNRSV-DOTOQJQBSA-N 2 2 287.407 0.914 20 0 CCADLP O=C(NCc1cc(F)c(F)c(F)c1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219904503 804445134 /nfs/dbraw/zinc/44/51/34/804445134.db2.gz XGQRGTQUXCPXLR-XPTSAGLGSA-N 2 2 299.296 0.672 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2ccc(OC(F)F)cc2)C1 ZINC001219915952 804447332 /nfs/dbraw/zinc/44/73/32/804447332.db2.gz FOXSXNSQOKSQHO-KOLCDFICSA-N 2 2 285.294 0.593 20 0 CCADLP C[NH+](C)CCCCCNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001219921670 804448153 /nfs/dbraw/zinc/44/81/53/804448153.db2.gz XRBHZBSFOFQVJR-BZPMIXESSA-N 3 2 268.405 0.056 20 0 CCADLP Cc1c[nH]c(CCNC(=O)[C@H]2C[C@H](C)CC[NH2+]2)[nH+]1 ZINC001219951859 804454843 /nfs/dbraw/zinc/45/48/43/804454843.db2.gz FAWWLAAJSFEPGG-MWLCHTKSSA-N 2 2 250.346 0.765 20 0 CCADLP CNc1ccc(CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)cc1 ZINC001219954909 804458396 /nfs/dbraw/zinc/45/83/96/804458396.db2.gz XWYSXBXAFMQJPL-NFAWXSAZSA-N 2 2 274.368 0.566 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@]2(C(C)C)CCC[NH2+]C2)C[NH2+]1 ZINC001219968317 804459525 /nfs/dbraw/zinc/45/95/25/804459525.db2.gz ZOUWKWOEWVOKBQ-XUJVJEKNSA-N 2 2 297.399 0.032 20 0 CCADLP C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(=O)NC1C[NH+](C)C1 ZINC001220013372 804472141 /nfs/dbraw/zinc/47/21/41/804472141.db2.gz SYAIASRSYBGGNB-ZDUSSCGKSA-N 2 2 281.787 0.901 20 0 CCADLP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220062361 804491005 /nfs/dbraw/zinc/49/10/05/804491005.db2.gz VYZIYLVONJFJOI-IJEWVQPXSA-N 3 2 294.443 0.319 20 0 CCADLP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220062361 804491008 /nfs/dbraw/zinc/49/10/08/804491008.db2.gz VYZIYLVONJFJOI-IJEWVQPXSA-N 3 2 294.443 0.319 20 0 CCADLP [NH3+]C1(C(=O)NCc2ccc3c(c2)CCO3)CC[NH2+]CC1 ZINC001220069854 804493474 /nfs/dbraw/zinc/49/34/74/804493474.db2.gz PPMAKQJTLQRUKG-UHFFFAOYSA-N 2 2 275.352 0.319 20 0 CCADLP C[NH2+]CCCCNC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220079263 804495219 /nfs/dbraw/zinc/49/52/19/804495219.db2.gz DFNJEPNCQFTGKM-ZDUSSCGKSA-N 3 2 264.373 0.375 20 0 CCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)C1CC2(C[NH2+]C2)C1 ZINC001220185336 804530226 /nfs/dbraw/zinc/53/02/26/804530226.db2.gz GBBBHEPHFIGOHQ-JTQLQIEISA-N 2 2 273.327 0.347 20 0 CCADLP O=C(N[C@@H]1CCCC(F)(F)C1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220308809 804570195 /nfs/dbraw/zinc/57/01/95/804570195.db2.gz PNHSQLDOYHVFFW-OPQQBVKSSA-N 2 2 273.327 0.632 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(Cl)nn1 ZINC001220369158 804581740 /nfs/dbraw/zinc/58/17/40/804581740.db2.gz TXZIGLDTLREVKS-SECBINFHSA-N 2 2 280.719 0.039 20 0 CCADLP C[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])c1nc(-c2ccccc2)c[nH]1 ZINC001220548491 804622708 /nfs/dbraw/zinc/62/27/08/804622708.db2.gz MIDBDNGWGKZWDP-DRZSPHRISA-N 2 2 299.378 0.801 20 0 CCADLP CC[N@@H+]1CCN(C(=O)NCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC001220543098 804622896 /nfs/dbraw/zinc/62/28/96/804622896.db2.gz GUWNNCRYYDJSID-CQSZACIVSA-N 2 2 298.431 0.444 20 0 CCADLP CC[N@H+]1CCN(C(=O)NCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC001220543098 804622901 /nfs/dbraw/zinc/62/29/01/804622901.db2.gz GUWNNCRYYDJSID-CQSZACIVSA-N 2 2 298.431 0.444 20 0 CCADLP O=C(NC1(c2cccnc2)CC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220561044 804624368 /nfs/dbraw/zinc/62/43/68/804624368.db2.gz SWHUTKOQTMZPRT-SWLSCSKDSA-N 2 2 272.352 0.138 20 0 CCADLP N=C(NC(=O)C1([NH3+])CC[NH2+]CC1)c1ccc2ccccc2n1 ZINC001220597042 804634368 /nfs/dbraw/zinc/63/43/68/804634368.db2.gz RXEWPUFTRRWSMA-UHFFFAOYSA-N 2 2 297.362 0.757 20 0 CCADLP N=C(NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])c1ccc2ccccc2n1 ZINC001220597003 804635020 /nfs/dbraw/zinc/63/50/20/804635020.db2.gz QUPPZXLDUPWYGF-QWRGUYRKSA-N 2 2 283.335 0.223 20 0 CCADLP Cn1nc(CNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)c2ccccc21 ZINC001220632089 804639722 /nfs/dbraw/zinc/63/97/22/804639722.db2.gz KLMWGFSDXNKKCS-BZNIZROVSA-N 2 2 299.378 0.141 20 0 CCADLP N=C(NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)c1cccnc1Cl ZINC001220660507 804644148 /nfs/dbraw/zinc/64/41/48/804644148.db2.gz IAULRTWDEGPMRN-SECBINFHSA-N 2 2 292.730 0.470 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCCCOc1cccc(F)c1 ZINC001220684968 804648179 /nfs/dbraw/zinc/64/81/79/804648179.db2.gz IPQFPLXURRNUAU-STQMWFEESA-N 2 2 281.331 0.258 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1Oc2ccccc2O1 ZINC001220707677 804653741 /nfs/dbraw/zinc/65/37/41/804653741.db2.gz YJAKMXYZBFVOQA-JTQLQIEISA-N 2 2 288.307 0.193 20 0 CCADLP COC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001220716647 804654389 /nfs/dbraw/zinc/65/43/89/804654389.db2.gz MUFQAEQTBGWZHE-YFKTTZPYSA-N 2 2 283.372 0.008 20 0 CCADLP COC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001220716647 804654391 /nfs/dbraw/zinc/65/43/91/804654391.db2.gz MUFQAEQTBGWZHE-YFKTTZPYSA-N 2 2 283.372 0.008 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@@H](c1ccccc1)C1(O)CCC1 ZINC001220727978 804656051 /nfs/dbraw/zinc/65/60/51/804656051.db2.gz VOGWAXHKDHYZKV-IHRRRGAJSA-N 2 2 289.379 0.306 20 0 CCADLP CC1(C)[C@H](O)C[C@H]1NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220766137 804663250 /nfs/dbraw/zinc/66/32/50/804663250.db2.gz MGVIMQGAZNXDQC-JHJVBQTASA-N 2 2 277.368 0.534 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC001220896483 804696068 /nfs/dbraw/zinc/69/60/68/804696068.db2.gz NJMMJHCQAVQSTF-STQMWFEESA-N 3 2 262.357 0.127 20 0 CCADLP Cc1cc2c(cn1)[C@@H](NC(=O)[C@@]13CC[C@@H]([NH2+]1)[C@H]([NH3+])C3)CC2 ZINC001220960426 804708802 /nfs/dbraw/zinc/70/88/02/804708802.db2.gz OCHKZMLIIRGFDI-CTASWTNQSA-N 2 2 286.379 0.715 20 0 CCADLP CCCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221166550 804738753 /nfs/dbraw/zinc/73/87/53/804738753.db2.gz VOMDFYSQGHRUBN-OLZOCXBDSA-N 2 2 280.372 0.235 20 0 CCADLP CCCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221166550 804738755 /nfs/dbraw/zinc/73/87/55/804738755.db2.gz VOMDFYSQGHRUBN-OLZOCXBDSA-N 2 2 280.372 0.235 20 0 CCADLP CC(C)CCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221164488 804738788 /nfs/dbraw/zinc/73/87/88/804738788.db2.gz IGRPCBDLMXWNFL-KGLIPLIRSA-N 2 2 294.399 0.481 20 0 CCADLP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001221164488 804738790 /nfs/dbraw/zinc/73/87/90/804738790.db2.gz IGRPCBDLMXWNFL-KGLIPLIRSA-N 2 2 294.399 0.481 20 0 CCADLP CC(C)(CNC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)CC1CC1 ZINC001221166491 804739607 /nfs/dbraw/zinc/73/96/07/804739607.db2.gz IBRFOKKVSWZEKM-WFASDCNBSA-N 2 2 265.401 0.880 20 0 CCADLP Cc1cccc([C@@H](CO)NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)c1 ZINC001221192130 804742620 /nfs/dbraw/zinc/74/26/20/804742620.db2.gz GTVNREPUSJKTMH-ZIAGYGMSSA-N 2 2 288.351 0.438 20 0 CCADLP Cc1cccc([C@@H](CO)NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)c1 ZINC001221192319 804743883 /nfs/dbraw/zinc/74/38/83/804743883.db2.gz NZXCADOPJYEVLN-KQTLUZQSSA-N 2 2 289.379 0.366 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1CCOc2c(F)cc(F)cc21 ZINC001221260937 804761024 /nfs/dbraw/zinc/76/10/24/804761024.db2.gz YWGJNNWPHWDOJK-DLOVCJGASA-N 2 2 297.305 0.451 20 0 CCADLP CC(C)(C)[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@]1(C)CCC[NH2+]1 ZINC001221357392 804787003 /nfs/dbraw/zinc/78/70/03/804787003.db2.gz IMLPISFXHVFAHB-CZUORRHYSA-N 2 2 297.443 0.992 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](CO)c1ccccc1 ZINC001221378529 804793799 /nfs/dbraw/zinc/79/37/99/804793799.db2.gz WWAQESMHYNIFKV-JSGCOSHPSA-N 2 2 288.351 0.172 20 0 CCADLP CC[C@H](CO)NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001221381114 804795675 /nfs/dbraw/zinc/79/56/75/804795675.db2.gz SXQUCFFWAXISMR-VXGBXAGGSA-N 2 2 251.330 0.146 20 0 CCADLP CC(C)[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])c1cccnc1 ZINC001221383069 804797097 /nfs/dbraw/zinc/79/70/97/804797097.db2.gz SHLRUCSJDAZLNP-AVGNSLFASA-N 2 2 262.357 0.442 20 0 CCADLP CC(C)N(C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C(C)(C)C[NH3+] ZINC001221394191 804799058 /nfs/dbraw/zinc/79/90/58/804799058.db2.gz JJDBFZZLSSMSRL-NSHDSACASA-N 3 2 267.377 0.254 20 0 CCADLP O=C(N[C@@H]1CCc2c1cccc2O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001221395257 804801431 /nfs/dbraw/zinc/80/14/31/804801431.db2.gz PVUAIBZTVQJPMI-GSVCSZOMSA-N 2 2 287.363 0.446 20 0 CCADLP CC[NH+](CC)[C@H]1CC[C@@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CC1 ZINC001221396866 804802374 /nfs/dbraw/zinc/80/23/74/804802374.db2.gz GPLBMZGMJXGIIZ-CRWXNKLISA-N 3 2 282.432 0.302 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)[C@H](C)C1 ZINC001221406794 804807279 /nfs/dbraw/zinc/80/72/79/804807279.db2.gz ILMHKNWGFDADBL-QKGCVVFFSA-N 3 2 294.443 0.171 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)[C@H](C)C1 ZINC001221406794 804807286 /nfs/dbraw/zinc/80/72/86/804807286.db2.gz ILMHKNWGFDADBL-QKGCVVFFSA-N 3 2 294.443 0.171 20 0 CCADLP CCOC(=O)c1cc(C[NH+]2CCC(F)(C[NH3+])CC2)nn1C ZINC001222552605 804915824 /nfs/dbraw/zinc/91/58/24/804915824.db2.gz GMTCKGJDWWLSSS-UHFFFAOYSA-N 2 2 298.362 0.860 20 0 CCADLP CCC[N@@H+]1CC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001276859467 804945620 /nfs/dbraw/zinc/94/56/20/804945620.db2.gz AYSCLZQEWBTEJW-LBPRGKRZSA-N 2 2 250.346 0.943 20 0 CCADLP CCC[N@H+]1CC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001276859467 804945625 /nfs/dbraw/zinc/94/56/25/804945625.db2.gz AYSCLZQEWBTEJW-LBPRGKRZSA-N 2 2 250.346 0.943 20 0 CCADLP CCC[N@@H+]1CC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001276859467 804945630 /nfs/dbraw/zinc/94/56/30/804945630.db2.gz AYSCLZQEWBTEJW-LBPRGKRZSA-N 2 2 250.346 0.943 20 0 CCADLP CCC[N@H+]1CC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001276859467 804945639 /nfs/dbraw/zinc/94/56/39/804945639.db2.gz AYSCLZQEWBTEJW-LBPRGKRZSA-N 2 2 250.346 0.943 20 0 CCADLP C[C@@H](O)C[NH+]1CCC(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001223420800 804969542 /nfs/dbraw/zinc/96/95/42/804969542.db2.gz XBBXFHTWEMCANE-GFCCVEGCSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](O)C[NH+]1CCC(CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001223420800 804969545 /nfs/dbraw/zinc/96/95/45/804969545.db2.gz XBBXFHTWEMCANE-GFCCVEGCSA-N 2 2 294.399 0.551 20 0 CCADLP Cc1ccc(C(=O)NCC[NH+]2CCC([NH3+])CC2)o1 ZINC000321240573 804997865 /nfs/dbraw/zinc/99/78/65/804997865.db2.gz FJXQDOBAPQFLQU-UHFFFAOYSA-N 2 2 251.330 0.741 20 0 CCADLP COCC[NH+]1CCC(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001223981810 804999318 /nfs/dbraw/zinc/99/93/18/804999318.db2.gz VUCMLBXYUZQMRD-UHFFFAOYSA-N 2 2 294.399 0.748 20 0 CCADLP COCCC[N@H+]1CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001276964930 805028425 /nfs/dbraw/zinc/02/84/25/805028425.db2.gz ZOTSTTUJAALDPJ-LBPRGKRZSA-N 2 2 280.372 0.488 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@H+]1CCCF ZINC001276986140 805065580 /nfs/dbraw/zinc/06/55/80/805065580.db2.gz RAUBYRWXMRZUGY-LLVKDONJSA-N 2 2 254.309 0.433 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@@H+]1CCCF ZINC001276986140 805065590 /nfs/dbraw/zinc/06/55/90/805065590.db2.gz RAUBYRWXMRZUGY-LLVKDONJSA-N 2 2 254.309 0.433 20 0 CCADLP COC[C@H](C)[NH+]1CCC(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001224980175 805096734 /nfs/dbraw/zinc/09/67/34/805096734.db2.gz CGEOCGFBUIXBAO-LBPRGKRZSA-N 2 2 294.399 0.815 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC1CC[NH+](CCCO)CC1 ZINC001225286242 805118144 /nfs/dbraw/zinc/11/81/44/805118144.db2.gz SQFKJBQAOMGTRQ-UHFFFAOYSA-N 2 2 294.399 0.471 20 0 CCADLP COCCC[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001277183360 805326934 /nfs/dbraw/zinc/32/69/34/805326934.db2.gz NYTUGQQRLIJGLS-UHFFFAOYSA-N 2 2 266.345 0.227 20 0 CCADLP CCOCC[NH+]1CCC(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001227726863 805383095 /nfs/dbraw/zinc/38/30/95/805383095.db2.gz IYHZQNBTZQLKLV-UHFFFAOYSA-N 2 2 294.399 0.959 20 0 CCADLP CCOCC[NH+]1CCC(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001227726863 805383105 /nfs/dbraw/zinc/38/31/05/805383105.db2.gz IYHZQNBTZQLKLV-UHFFFAOYSA-N 2 2 294.399 0.959 20 0 CCADLP [NH3+]CCC[NH2+]CCC[NH2+]C[C@@H](O)COc1cccc(F)c1 ZINC001246010037 807114174 /nfs/dbraw/zinc/11/41/74/807114174.db2.gz LUZCJUNBNWAIKL-CQSZACIVSA-N 3 2 299.390 0.484 20 0 CCADLP C[C@](O)(C[N@@H+]1CCC[NH2+]CC1)C(=O)OCc1ccccc1 ZINC001246013063 807115728 /nfs/dbraw/zinc/11/57/28/807115728.db2.gz BQUJUAIAMQWLMX-INIZCTEOSA-N 2 2 292.379 0.776 20 0 CCADLP C[C@](O)(C[N@H+]1CCC[NH2+]CC1)C(=O)OCc1ccccc1 ZINC001246013063 807115738 /nfs/dbraw/zinc/11/57/38/807115738.db2.gz BQUJUAIAMQWLMX-INIZCTEOSA-N 2 2 292.379 0.776 20 0 CCADLP O[C@@H](COc1cccc(F)c1)C[N@@H+]1CCC[NH2+]CC1 ZINC001246013731 807116156 /nfs/dbraw/zinc/11/61/56/807116156.db2.gz JBOODHARBBZDPP-CYBMUJFWSA-N 2 2 268.332 0.861 20 0 CCADLP O[C@@H](COc1cccc(F)c1)C[N@H+]1CCC[NH2+]CC1 ZINC001246013731 807116160 /nfs/dbraw/zinc/11/61/60/807116160.db2.gz JBOODHARBBZDPP-CYBMUJFWSA-N 2 2 268.332 0.861 20 0 CCADLP C[C@H]([NH3+])C[N@H+](C)C[C@H](O)COc1cccc(F)c1 ZINC001246055721 807134596 /nfs/dbraw/zinc/13/45/96/807134596.db2.gz DPEVFIVMRMGXLL-JQWIXIFHSA-N 2 2 256.321 0.844 20 0 CCADLP C[C@H]([NH3+])C[N@@H+](C)C[C@H](O)COc1cccc(F)c1 ZINC001246055721 807134604 /nfs/dbraw/zinc/13/46/04/807134604.db2.gz DPEVFIVMRMGXLL-JQWIXIFHSA-N 2 2 256.321 0.844 20 0 CCADLP C[C@](O)(C[N@@H+]1CCC[C@@H]1C[NH3+])C(=O)OCc1ccccc1 ZINC001246062849 807138440 /nfs/dbraw/zinc/13/84/40/807138440.db2.gz KCOAUJMBWZTDGQ-ZBFHGGJFSA-N 2 2 292.379 0.904 20 0 CCADLP C[C@](O)(C[N@H+]1CCC[C@@H]1C[NH3+])C(=O)OCc1ccccc1 ZINC001246062849 807138447 /nfs/dbraw/zinc/13/84/47/807138447.db2.gz KCOAUJMBWZTDGQ-ZBFHGGJFSA-N 2 2 292.379 0.904 20 0 CCADLP COc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001246068864 807140272 /nfs/dbraw/zinc/14/02/72/807140272.db2.gz XURRJPGPJUABSV-CHWSQXEVSA-N 2 2 280.368 0.858 20 0 CCADLP COc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1C[NH3+] ZINC001246068864 807140274 /nfs/dbraw/zinc/14/02/74/807140274.db2.gz XURRJPGPJUABSV-CHWSQXEVSA-N 2 2 280.368 0.858 20 0 CCADLP C[C@@H](CC(=O)N1CCOCC1)[NH2+]C[C@H]1CC[C@@H](C)C[NH2+]1 ZINC001246110251 807155411 /nfs/dbraw/zinc/15/54/11/807155411.db2.gz HULYXLJJRNHSBU-HZSPNIEDSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246116408 807158027 /nfs/dbraw/zinc/15/80/27/807158027.db2.gz DWNSWJNTPYQOBS-MROQNXINSA-N 2 2 283.416 0.646 20 0 CCADLP COC(=O)CC[C@@H](C)[NH2+][C@@H](CCCC[NH3+])C(=O)OC ZINC001246154522 807169650 /nfs/dbraw/zinc/16/96/50/807169650.db2.gz ZDRLQQVARHRTNO-MNOVXSKESA-N 2 2 274.361 0.588 20 0 CCADLP CC[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CCC[NH2+]C2)C[C@H](CC)[NH2+]1 ZINC001246225072 807191322 /nfs/dbraw/zinc/19/13/22/807191322.db2.gz APNAAPDMUKKXPB-XGUBFFRZSA-N 3 2 269.433 1.000 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@@H](NCC[C@@H]2CCCC[NH2+]2)C[NH2+]1 ZINC001246242608 807196751 /nfs/dbraw/zinc/19/67/51/807196751.db2.gz FXPFZKIJAHUGOB-GZBFAFLISA-N 2 2 283.416 0.792 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N[C@@H](C[NH3+])Cc2ccccc2)C[NH2+]1 ZINC001246271891 807204185 /nfs/dbraw/zinc/20/41/85/807204185.db2.gz XSKOEWMYCDKQNL-MCIONIFRSA-N 2 2 277.368 0.050 20 0 CCADLP O=C(NCC[NH2+][C@@H]1CCC[NH2+]C1)c1ccc(Cl)cn1 ZINC001246284622 807206923 /nfs/dbraw/zinc/20/69/23/807206923.db2.gz BTZVEAJLFAVKJK-LLVKDONJSA-N 2 2 282.775 0.806 20 0 CCADLP COc1cccc(C[C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2CO)c1 ZINC001246298971 807212790 /nfs/dbraw/zinc/21/27/90/807212790.db2.gz JGCALRGFYKMYIH-CORIIIEPSA-N 2 2 264.369 0.796 20 0 CCADLP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246299670 807214005 /nfs/dbraw/zinc/21/40/05/807214005.db2.gz MTIVKUPCBDRRDU-NHIYQJMISA-N 3 2 295.427 0.649 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC001246304788 807215537 /nfs/dbraw/zinc/21/55/37/807215537.db2.gz IEOBMYVLNKEMQG-IACUBPJLSA-N 2 2 266.772 0.977 20 0 CCADLP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1CO)C2 ZINC001246304074 807215701 /nfs/dbraw/zinc/21/57/01/807215701.db2.gz GSTIORHHEJXQEX-GZBFAFLISA-N 2 2 262.353 0.332 20 0 CCADLP CC[C@H](Cc1ccc2c(c1)OCO2)[NH2+][C@H]1C[NH2+]C[C@H]1CO ZINC001246308998 807216715 /nfs/dbraw/zinc/21/67/15/807216715.db2.gz QMWGTIRUSWJTTH-MJBXVCDLSA-N 2 2 292.379 0.906 20 0 CCADLP [NH3+]CCNCC[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC001246406824 807245058 /nfs/dbraw/zinc/24/50/58/807245058.db2.gz VDBCTODOHHYQQQ-GJZGRUSLSA-N 3 2 262.401 0.618 20 0 CCADLP COCCOc1nccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)n1 ZINC001246434190 807251174 /nfs/dbraw/zinc/25/11/74/807251174.db2.gz LZHIBHAWDYXVKF-VXGBXAGGSA-N 2 2 280.372 0.732 20 0 CCADLP CC[C@@]1(C(=O)OC)C[C@@H](N[C@H]2C[C@H]([NH2+]C)C2)C[NH2+]1 ZINC001246460954 807255566 /nfs/dbraw/zinc/25/55/66/807255566.db2.gz LRJWVSLGIDTZSJ-UZWSLXQKSA-N 2 2 255.362 0.010 20 0 CCADLP CC[C@@]1(N[C@H]2C[NH2+][C@H](C(=O)OC(C)(C)C)C2)CC[NH2+]C1 ZINC001246467001 807257911 /nfs/dbraw/zinc/25/79/11/807257911.db2.gz YHKXDRMAAIOBJR-TYNCELHUSA-N 2 2 283.416 0.790 20 0 CCADLP C[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246520265 807272291 /nfs/dbraw/zinc/27/22/91/807272291.db2.gz SPPKDWAFIOXRFS-CYBMUJFWSA-N 3 2 252.406 0.106 20 0 CCADLP C[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246520265 807272295 /nfs/dbraw/zinc/27/22/95/807272295.db2.gz SPPKDWAFIOXRFS-CYBMUJFWSA-N 3 2 252.406 0.106 20 0 CCADLP CCOC(=O)[C@H]1CC[C@H]([N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)CO1 ZINC001246568917 807295033 /nfs/dbraw/zinc/29/50/33/807295033.db2.gz SZEVALBRTGTWNH-WRWGMCAJSA-N 2 2 256.346 0.376 20 0 CCADLP CCOC(=O)[C@H]1CC[C@H]([N@H+]2C[C@@H](C)[C@H]([NH3+])C2)CO1 ZINC001246568917 807295038 /nfs/dbraw/zinc/29/50/38/807295038.db2.gz SZEVALBRTGTWNH-WRWGMCAJSA-N 2 2 256.346 0.376 20 0 CCADLP [NH3+]C[C@@]1(F)CCCC[N@@H+]([C@H]2CSC3(C[NH2+]C3)C2)C1 ZINC001246574219 807298204 /nfs/dbraw/zinc/29/82/04/807298204.db2.gz FPJPZNNOHSUJMN-NEPJUHHUSA-N 3 2 273.421 0.987 20 0 CCADLP [NH3+]C[C@@]1(F)CCCC[N@H+]([C@H]2CSC3(C[NH2+]C3)C2)C1 ZINC001246574219 807298212 /nfs/dbraw/zinc/29/82/12/807298212.db2.gz FPJPZNNOHSUJMN-NEPJUHHUSA-N 3 2 273.421 0.987 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H](N2CCC(F)(F)[C@H]([NH3+])C2)C[NH2+]1 ZINC001246595385 807314848 /nfs/dbraw/zinc/31/48/48/807314848.db2.gz HMWJQGKWIZLBQR-HOSYDEDBSA-N 2 2 291.342 0.338 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@@H](N2CCC(F)(F)[C@@H]([NH3+])C2)C[NH2+]1 ZINC001246595391 807316456 /nfs/dbraw/zinc/31/64/56/807316456.db2.gz HMWJQGKWIZLBQR-JFGNBEQYSA-N 2 2 291.342 0.338 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N2CCC[C@]23CCC[NH2+]CC3)C[NH2+]1 ZINC001246606058 807319050 /nfs/dbraw/zinc/31/90/50/807319050.db2.gz LUPXWOAUONBXEP-IPYPFGDCSA-N 2 2 281.400 0.498 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H](n2c(C)[nH+]c3c2CC[NH2+]CC3)CN1 ZINC001246668544 807351320 /nfs/dbraw/zinc/35/13/20/807351320.db2.gz YUEDLZKYFZPYQZ-YPMHNXCESA-N 2 2 292.383 0.346 20 0 CCADLP CCOC(=O)[C@@]12CCO[C@@H]1CC[N@@H+]([C@H]1CCC[NH2+]C1)C2 ZINC001246668290 807351337 /nfs/dbraw/zinc/35/13/37/807351337.db2.gz INUFRDYHPRLZAO-GZBFAFLISA-N 2 2 282.384 0.783 20 0 CCADLP CCOC(=O)[C@@]12CCO[C@@H]1CC[N@H+]([C@H]1CCC[NH2+]C1)C2 ZINC001246668290 807351344 /nfs/dbraw/zinc/35/13/44/807351344.db2.gz INUFRDYHPRLZAO-GZBFAFLISA-N 2 2 282.384 0.783 20 0 CCADLP Cn1cc(N2C(=O)C[C@@H]3[C@H]2CC[N@H+]3[C@@H]2CCC[NH2+]C2)cn1 ZINC001246722948 807366091 /nfs/dbraw/zinc/36/60/91/807366091.db2.gz TVYNBWVQGBZRCC-MRVWCRGKSA-N 2 2 289.383 0.352 20 0 CCADLP Cn1cc(N2C(=O)C[C@@H]3[C@H]2CC[N@@H+]3[C@@H]2CCC[NH2+]C2)cn1 ZINC001246722948 807366100 /nfs/dbraw/zinc/36/61/00/807366100.db2.gz TVYNBWVQGBZRCC-MRVWCRGKSA-N 2 2 289.383 0.352 20 0 CCADLP C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)C[NH2+]1 ZINC001246749692 807371420 /nfs/dbraw/zinc/37/14/20/807371420.db2.gz SHOYFHDNCNIWPG-FXUDXRNXSA-N 3 2 280.460 0.837 20 0 CCADLP C[C@@H]1CC[C@H]([N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)C[NH2+]1 ZINC001246749692 807371428 /nfs/dbraw/zinc/37/14/28/807371428.db2.gz SHOYFHDNCNIWPG-FXUDXRNXSA-N 3 2 280.460 0.837 20 0 CCADLP COCC[N@H+](C1CC[NH2+]CC1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246836848 807400832 /nfs/dbraw/zinc/40/08/32/807400832.db2.gz PKRQEHRZUDBVGZ-GXTWGEPZSA-N 3 2 255.406 0.827 20 0 CCADLP COCC[N@@H+](C1CC[NH2+]CC1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246836848 807400839 /nfs/dbraw/zinc/40/08/39/807400839.db2.gz PKRQEHRZUDBVGZ-GXTWGEPZSA-N 3 2 255.406 0.827 20 0 CCADLP C[C@H]1CC[C@H]([NH+]2CCC3(CC2)CNC(=O)CO3)C[NH2+]1 ZINC001246880001 807419226 /nfs/dbraw/zinc/41/92/26/807419226.db2.gz OABFOEANSLOZPN-RYUDHWBXSA-N 2 2 267.373 0.108 20 0 CCADLP COc1ccc(N2CC[NH+](C3CC[NH2+]CC3)CC2)nc1 ZINC001246963005 807441744 /nfs/dbraw/zinc/44/17/44/807441744.db2.gz SYQJPWOPUNLAFX-UHFFFAOYSA-N 2 2 276.384 0.964 20 0 CCADLP CO[C@H](C)[C@H]([NH3+])c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001247961102 807500512 /nfs/dbraw/zinc/50/05/12/807500512.db2.gz KKUUOLWGAMMWAS-PELKAZGASA-N 2 2 289.339 0.812 20 0 CCADLP [NH3+][C@@H](CCO)c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001247970980 807502243 /nfs/dbraw/zinc/50/22/43/807502243.db2.gz JOSCSHLWRLRKTN-VIFPVBQESA-N 2 2 275.312 0.160 20 0 CCADLP Cn1ncc2cc(-c3noc(C[C@@H]([NH3+])C[NH3+])n3)ccc21 ZINC001249129634 807544308 /nfs/dbraw/zinc/54/43/08/807544308.db2.gz PMKXWOVQZBWULX-SNVBAGLBSA-N 2 2 272.312 0.452 20 0 CCADLP COc1cc(C)cc(-c2noc(C[C@@H]([NH3+])C[NH3+])n2)c1 ZINC001249128415 807544496 /nfs/dbraw/zinc/54/44/96/807544496.db2.gz BSYCBCPGCYEEPG-SNVBAGLBSA-N 2 2 262.313 0.882 20 0 CCADLP COc1cccc(-c2noc(C[C@@H]([NH3+])C[NH3+])n2)c1OC ZINC001249130164 807545119 /nfs/dbraw/zinc/54/51/19/807545119.db2.gz VERLUNYNSAXIPH-MRVPVSSYSA-N 2 2 278.312 0.582 20 0 CCADLP COc1cccc([C@@H](O)C[NH2+]C2(CO)CC[NH+](C)CC2)c1 ZINC001250743418 807611287 /nfs/dbraw/zinc/61/12/87/807611287.db2.gz YUWKDXJLWIAPMG-HNNXBMFYSA-N 2 2 294.395 0.775 20 0 CCADLP CC[N@H+](C[C@H](O)CN1CCOCC1)C1CC[NH+](C)CC1 ZINC001251014697 807641479 /nfs/dbraw/zinc/64/14/79/807641479.db2.gz FUENPZCNKJWAIM-OAHLLOKOSA-N 2 2 285.432 0.096 20 0 CCADLP CC[N@@H+](C[C@H](O)CN1CCOCC1)C1CC[NH+](C)CC1 ZINC001251014697 807641485 /nfs/dbraw/zinc/64/14/85/807641485.db2.gz FUENPZCNKJWAIM-OAHLLOKOSA-N 2 2 285.432 0.096 20 0 CCADLP Cn1c[nH+]c2cccc(NC[C@H](O)C[NH+]3CCOCC3)c21 ZINC001251031301 807649630 /nfs/dbraw/zinc/64/96/30/807649630.db2.gz JKVBGJMOQKCRPO-LBPRGKRZSA-N 2 2 290.367 0.678 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)NCCNc2cc[nH+]cc2)c1 ZINC001251741261 807699058 /nfs/dbraw/zinc/69/90/58/807699058.db2.gz AWJIMQULGFLONV-UHFFFAOYSA-N 2 2 288.355 0.191 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C ZINC001253186373 808021946 /nfs/dbraw/zinc/02/19/46/808021946.db2.gz OBZPPJKFJKRHII-BFHYXJOUSA-N 2 2 283.416 0.384 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C ZINC001253186373 808021955 /nfs/dbraw/zinc/02/19/55/808021955.db2.gz OBZPPJKFJKRHII-BFHYXJOUSA-N 2 2 283.416 0.384 20 0 CCADLP CC[NH+](CC)C[C@H](O)CN1CC([N@@H+]2CCOC(C)(C)C2)C1 ZINC001253188328 808023740 /nfs/dbraw/zinc/02/37/40/808023740.db2.gz VVBIGXMPLHZRMO-HNNXBMFYSA-N 2 2 299.459 0.484 20 0 CCADLP CC[NH+](CC)C[C@H](O)CN1CC([N@H+]2CCOC(C)(C)C2)C1 ZINC001253188328 808023746 /nfs/dbraw/zinc/02/37/46/808023746.db2.gz VVBIGXMPLHZRMO-HNNXBMFYSA-N 2 2 299.459 0.484 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]Cc1c(=O)[nH]c(C)cc1OC ZINC001253211165 808033530 /nfs/dbraw/zinc/03/35/30/808033530.db2.gz CJPXNUIOIKHZNU-GFCCVEGCSA-N 2 2 297.399 0.897 20 0 CCADLP CCN(CC)C(=O)[C@@H](C)[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253404537 808058380 /nfs/dbraw/zinc/05/83/80/808058380.db2.gz YTLFOCRAPCSPPR-NEPJUHHUSA-N 2 2 273.421 0.582 20 0 CCADLP CCC[N@H+]1C[C@@H]2C[NH+](C[C@@H](O)C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001253689108 808117550 /nfs/dbraw/zinc/11/75/50/808117550.db2.gz QDFKKMRLFQNNCF-HZSPNIEDSA-N 2 2 298.427 0.963 20 0 CCADLP CCC[N@@H+]1C[C@@H]2C[NH+](C[C@@H](O)C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001253689108 808117553 /nfs/dbraw/zinc/11/75/53/808117553.db2.gz QDFKKMRLFQNNCF-HZSPNIEDSA-N 2 2 298.427 0.963 20 0 CCADLP CCC[NH+]1C[C@@H]2C[N@@H+](C[C@@H](O)C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001253689108 808117555 /nfs/dbraw/zinc/11/75/55/808117555.db2.gz QDFKKMRLFQNNCF-HZSPNIEDSA-N 2 2 298.427 0.963 20 0 CCADLP CCC[NH+]1C[C@@H]2C[N@H+](C[C@@H](O)C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001253689108 808117557 /nfs/dbraw/zinc/11/75/57/808117557.db2.gz QDFKKMRLFQNNCF-HZSPNIEDSA-N 2 2 298.427 0.963 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001253801381 808147701 /nfs/dbraw/zinc/14/77/01/808147701.db2.gz YXRTXAGXZCWGQC-XQQFMLRXSA-N 2 2 270.373 0.184 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001253801381 808147703 /nfs/dbraw/zinc/14/77/03/808147703.db2.gz YXRTXAGXZCWGQC-XQQFMLRXSA-N 2 2 270.373 0.184 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001253801381 808147704 /nfs/dbraw/zinc/14/77/04/808147704.db2.gz YXRTXAGXZCWGQC-XQQFMLRXSA-N 2 2 270.373 0.184 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001253801381 808147706 /nfs/dbraw/zinc/14/77/06/808147706.db2.gz YXRTXAGXZCWGQC-XQQFMLRXSA-N 2 2 270.373 0.184 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N1CCc2[nH+]ccn2CC1 ZINC001142586771 815179781 /nfs/dbraw/zinc/17/97/81/815179781.db2.gz LHMGIPPERAWJGA-UHFFFAOYSA-N 2 2 250.346 0.608 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N1CCc2[nH+]ccn2CC1 ZINC001142586771 815179783 /nfs/dbraw/zinc/17/97/83/815179783.db2.gz LHMGIPPERAWJGA-UHFFFAOYSA-N 2 2 250.346 0.608 20 0 CCADLP C[NH+](C)Cc1cn(CCCC[NH2+]CCC[NH3+])nn1 ZINC001254163754 808192632 /nfs/dbraw/zinc/19/26/32/808192632.db2.gz XPWFINHDRFYNNF-UHFFFAOYSA-N 3 2 254.382 0.058 20 0 CCADLP CC(=O)N1CCC([NH2+][C@H]2CC[N@@H+](C3CCOCC3)C2)CC1 ZINC001254419325 808239376 /nfs/dbraw/zinc/23/93/76/808239376.db2.gz YAJQXCRADZGHMH-HNNXBMFYSA-N 2 2 295.427 0.840 20 0 CCADLP CC(=O)N1CCC([NH2+][C@H]2CC[N@H+](C3CCOCC3)C2)CC1 ZINC001254419325 808239380 /nfs/dbraw/zinc/23/93/80/808239380.db2.gz YAJQXCRADZGHMH-HNNXBMFYSA-N 2 2 295.427 0.840 20 0 CCADLP C[N@@H+]1CCC[C@@H]([NH2+]C2CC3(C2)CS(=O)(=O)C3)CC1 ZINC001254501997 808247128 /nfs/dbraw/zinc/24/71/28/808247128.db2.gz ATPGAWLMPYALKC-LLVKDONJSA-N 2 2 272.414 0.638 20 0 CCADLP C[N@H+]1CCC[C@@H]([NH2+]C2CC3(C2)CS(=O)(=O)C3)CC1 ZINC001254501997 808247132 /nfs/dbraw/zinc/24/71/32/808247132.db2.gz ATPGAWLMPYALKC-LLVKDONJSA-N 2 2 272.414 0.638 20 0 CCADLP Cc1noc(CC[NH2+][C@@H]2CC3CC[NH+](CC3)C2)n1 ZINC001254836986 808283487 /nfs/dbraw/zinc/28/34/87/808283487.db2.gz QSSSYWJOAVVUKQ-GFCCVEGCSA-N 2 2 250.346 0.994 20 0 CCADLP CN1C[C@H]([NH2+][C@@H]2CC3CC[NH+](CC3)C2)CCC1=O ZINC001254836673 808284051 /nfs/dbraw/zinc/28/40/51/808284051.db2.gz OECBTEUEVGGOQM-CHWSQXEVSA-N 2 2 251.374 0.681 20 0 CCADLP O=c1[nH][nH]cc1CCC[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254837844 808284477 /nfs/dbraw/zinc/28/44/77/808284477.db2.gz WKDGOZTWJWCWOS-OLZOCXBDSA-N 2 2 264.373 0.572 20 0 CCADLP O=C1NCC[C@@]12CC[N@@H+]([C@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254855609 808288527 /nfs/dbraw/zinc/28/85/27/808288527.db2.gz PDCCFVQLWXICPZ-ZFWWWQNUSA-N 2 2 263.385 0.683 20 0 CCADLP O=C1NCC[C@@]12CC[N@H+]([C@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254855609 808288533 /nfs/dbraw/zinc/28/85/33/808288533.db2.gz PDCCFVQLWXICPZ-ZFWWWQNUSA-N 2 2 263.385 0.683 20 0 CCADLP CSCC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C(N)=O ZINC001256071186 808466832 /nfs/dbraw/zinc/46/68/32/808466832.db2.gz QFJNVZZALFDULM-LBPRGKRZSA-N 2 2 271.430 0.810 20 0 CCADLP COCC(=O)N[C@@H]1CCC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256082410 808469642 /nfs/dbraw/zinc/46/96/42/808469642.db2.gz ZIWCHRUUDDTFAW-CYBMUJFWSA-N 2 2 295.427 0.840 20 0 CCADLP COCC(=O)N[C@@H]1CCC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256082410 808469646 /nfs/dbraw/zinc/46/96/46/808469646.db2.gz ZIWCHRUUDDTFAW-CYBMUJFWSA-N 2 2 295.427 0.840 20 0 CCADLP COc1cccc(C[C@@H](C)[NH2+][C@@H]2COC[C@H]2[NH3+])c1 ZINC001256146303 808472530 /nfs/dbraw/zinc/47/25/30/808472530.db2.gz WCTGMGWAWDPYOK-LERXQTSPSA-N 2 2 250.342 0.942 20 0 CCADLP C[NH+]1CCC([N@@H+]2CCC[C@@]3(CCNC3=O)C2)CC1 ZINC001256203093 808478096 /nfs/dbraw/zinc/47/80/96/808478096.db2.gz CKAWQZOUHCTNFB-CQSZACIVSA-N 2 2 251.374 0.683 20 0 CCADLP C[NH+]1CCC([N@H+]2CCC[C@@]3(CCNC3=O)C2)CC1 ZINC001256203093 808478099 /nfs/dbraw/zinc/47/80/99/808478099.db2.gz CKAWQZOUHCTNFB-CQSZACIVSA-N 2 2 251.374 0.683 20 0 CCADLP C[N@H+](CCN1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC001256208399 808479284 /nfs/dbraw/zinc/47/92/84/808479284.db2.gz IEXQAUKIDLSNAI-UHFFFAOYSA-N 3 2 254.422 0.260 20 0 CCADLP C[N@@H+](CCN1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC001256208399 808479288 /nfs/dbraw/zinc/47/92/88/808479288.db2.gz IEXQAUKIDLSNAI-UHFFFAOYSA-N 3 2 254.422 0.260 20 0 CCADLP C[NH+]1CCC([N@@H+]2CCC[C@@]3(CNC(=O)O3)C2)CC1 ZINC001256209529 808480979 /nfs/dbraw/zinc/48/09/79/808480979.db2.gz XZUOGVRTIQEXQH-CYBMUJFWSA-N 2 2 253.346 0.655 20 0 CCADLP C[NH+]1CCC([N@H+]2CCC[C@@]3(CNC(=O)O3)C2)CC1 ZINC001256209529 808480984 /nfs/dbraw/zinc/48/09/84/808480984.db2.gz XZUOGVRTIQEXQH-CYBMUJFWSA-N 2 2 253.346 0.655 20 0 CCADLP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@@H](C)Cc1ccccn1 ZINC001256397713 808525268 /nfs/dbraw/zinc/52/52/68/808525268.db2.gz LJECZMCMTLYDGB-WCQYABFASA-N 2 2 265.357 0.883 20 0 CCADLP CS(=O)(=O)CC[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001256676926 808546568 /nfs/dbraw/zinc/54/65/68/808546568.db2.gz JJORZBNLHKOBMG-UHFFFAOYSA-N 2 2 290.429 0.264 20 0 CCADLP C[C@@H](Cc1ccncc1)[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001256752754 808558068 /nfs/dbraw/zinc/55/80/68/808558068.db2.gz FIHMUMVIFKYNJF-AWEZNQCLSA-N 2 2 274.412 0.944 20 0 CCADLP [NH3+]CC[N@H+](CCO)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256848871 808563748 /nfs/dbraw/zinc/56/37/48/808563748.db2.gz XZQFVYCEDLWUBY-UHFFFAOYSA-N 3 2 264.373 0.303 20 0 CCADLP [NH3+]CC[N@@H+](CCO)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256848871 808563757 /nfs/dbraw/zinc/56/37/57/808563757.db2.gz XZQFVYCEDLWUBY-UHFFFAOYSA-N 3 2 264.373 0.303 20 0 CCADLP CCOC(=O)[C@H]1CC[C@@H]([NH2+][C@H](CCC[NH3+])C(=O)OC)C1 ZINC001257035790 808581962 /nfs/dbraw/zinc/58/19/62/808581962.db2.gz DVJCDPQRMTVCCF-QJPTWQEYSA-N 2 2 286.372 0.588 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CC(N3CC[NH+](C)CC3)C2)C1 ZINC001257070897 808588736 /nfs/dbraw/zinc/58/87/36/808588736.db2.gz PRLTZTFGDPSBDD-KGLIPLIRSA-N 2 2 295.427 0.650 20 0 CCADLP COC(=O)CC[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)C(N)=O ZINC001258007930 808648238 /nfs/dbraw/zinc/64/82/38/808648238.db2.gz XMYFFYQAZFWWJV-ZDUSSCGKSA-N 2 2 299.415 0.504 20 0 CCADLP COc1ccccc1C[C@H](C)[N@H+](CC[NH3+])CCO ZINC001258880753 808704893 /nfs/dbraw/zinc/70/48/93/808704893.db2.gz WIFLQTLEVBHFHB-LBPRGKRZSA-N 2 2 252.358 0.879 20 0 CCADLP COc1ccccc1C[C@H](C)[N@@H+](CC[NH3+])CCO ZINC001258880753 808704895 /nfs/dbraw/zinc/70/48/95/808704895.db2.gz WIFLQTLEVBHFHB-LBPRGKRZSA-N 2 2 252.358 0.879 20 0 CCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)CCC[NH3+])C1 ZINC001261458537 808983309 /nfs/dbraw/zinc/98/33/09/808983309.db2.gz BUXQRUDINWNLIP-GFCCVEGCSA-N 2 2 264.373 0.940 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@](C)(O)c1ccco1)C1CC1 ZINC001262568173 809347177 /nfs/dbraw/zinc/34/71/77/809347177.db2.gz NHPPQXQBJLECMB-JSGCOSHPSA-N 2 2 268.357 0.532 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@](C)(O)c1ccco1)C1CC1 ZINC001262568173 809347185 /nfs/dbraw/zinc/34/71/85/809347185.db2.gz NHPPQXQBJLECMB-JSGCOSHPSA-N 2 2 268.357 0.532 20 0 CCADLP C[C@@H](Nc1nccnc1C[NH3+])[C@@H]1C[N@H+](C)CCO1 ZINC001262687251 809394772 /nfs/dbraw/zinc/39/47/72/809394772.db2.gz IUXKDGRHCVYIAM-KOLCDFICSA-N 2 2 251.334 0.066 20 0 CCADLP C[C@@H](Nc1nccnc1C[NH3+])[C@@H]1C[N@@H+](C)CCO1 ZINC001262687251 809394774 /nfs/dbraw/zinc/39/47/74/809394774.db2.gz IUXKDGRHCVYIAM-KOLCDFICSA-N 2 2 251.334 0.066 20 0 CCADLP C[C@H](CNC(=O)C[C@@H]1C[NH2+]C[C@H]1C)Cn1cc[nH+]c1 ZINC001263096551 809442119 /nfs/dbraw/zinc/44/21/19/809442119.db2.gz VLBLFXKDUORXOZ-JHJVBQTASA-N 2 2 264.373 0.881 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC(C)(C)[NH+](C)C ZINC001263700706 809552791 /nfs/dbraw/zinc/55/27/91/809552791.db2.gz FJVVUSXCUOZIIQ-UHFFFAOYSA-N 2 2 252.362 0.809 20 0 CCADLP COCC[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001263849343 809586840 /nfs/dbraw/zinc/58/68/40/809586840.db2.gz FOISLIBRKKKKHB-TXEJJXNPSA-N 2 2 280.372 0.093 20 0 CCADLP COC(C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)OC ZINC000702553675 809925537 /nfs/dbraw/zinc/92/55/37/809925537.db2.gz NBFHYDQZUDSYRT-INIZCTEOSA-N 2 2 294.395 0.832 20 0 CCADLP COC(C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)OC ZINC000702553675 809925538 /nfs/dbraw/zinc/92/55/38/809925538.db2.gz NBFHYDQZUDSYRT-INIZCTEOSA-N 2 2 294.395 0.832 20 0 CCADLP [NH3+][C@H](CC(=O)N1CC[C@H]([NH+]2CCCC2)C1)C(F)F ZINC000724753444 811092393 /nfs/dbraw/zinc/09/23/93/811092393.db2.gz VROUNJMKBWDPIX-VHSXEESVSA-N 2 2 261.316 0.666 20 0 CCADLP CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000724878539 811095379 /nfs/dbraw/zinc/09/53/79/811095379.db2.gz SZCZWFNSQKJUJF-FDYHWXHSSA-N 2 2 258.362 0.147 20 0 CCADLP C[C@@H]1C[NH+](CCc2nnc([C@@H]3CC[NH2+]3)o2)C[C@@H](C)O1 ZINC001217695309 811220113 /nfs/dbraw/zinc/22/01/13/811220113.db2.gz SJXFUAUTTSSCRZ-MXWKQRLJSA-N 2 2 266.345 0.756 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCN1CCCS1(=O)=O ZINC000695182262 811576935 /nfs/dbraw/zinc/57/69/35/811576935.db2.gz HNNDHKVHSWLBMX-LBPRGKRZSA-N 2 2 277.434 0.327 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCN1CCCS1(=O)=O ZINC000695182262 811576939 /nfs/dbraw/zinc/57/69/39/811576939.db2.gz HNNDHKVHSWLBMX-LBPRGKRZSA-N 2 2 277.434 0.327 20 0 CCADLP C[NH+](C)CCCCC(=O)NC1C[NH+](CCn2cccn2)C1 ZINC001267667407 811633879 /nfs/dbraw/zinc/63/38/79/811633879.db2.gz WJBPBCOBJIQASZ-UHFFFAOYSA-N 2 2 293.415 0.415 20 0 CCADLP O=C(NC[C@H]1CC[N@H+]1CCCO)[C@@H]1CCCc2[nH+]ccn21 ZINC001038345141 811670833 /nfs/dbraw/zinc/67/08/33/811670833.db2.gz JKQPPSDHJDFUKE-OLZOCXBDSA-N 2 2 292.383 0.333 20 0 CCADLP O=C(NC[C@H]1CC[N@@H+]1CCCO)[C@@H]1CCCc2[nH+]ccn21 ZINC001038345141 811670840 /nfs/dbraw/zinc/67/08/40/811670840.db2.gz JKQPPSDHJDFUKE-OLZOCXBDSA-N 2 2 292.383 0.333 20 0 CCADLP CC[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CCCO ZINC001267809608 811805950 /nfs/dbraw/zinc/80/59/50/811805950.db2.gz OMAOJCRVJHOAHH-STQMWFEESA-N 2 2 294.399 0.312 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC(CC[NH2+]CCO)CC1 ZINC001267917076 811868865 /nfs/dbraw/zinc/86/88/65/811868865.db2.gz UPROOROHIBISFD-UHFFFAOYSA-N 2 2 280.372 0.163 20 0 CCADLP CC[C@@H](F)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001077395038 815491889 /nfs/dbraw/zinc/49/18/89/815491889.db2.gz QFHFNEPAROWEOJ-JHJVBQTASA-N 2 2 298.362 0.101 20 0 CCADLP CC[C@@H](F)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001077395038 815491895 /nfs/dbraw/zinc/49/18/95/815491895.db2.gz QFHFNEPAROWEOJ-JHJVBQTASA-N 2 2 298.362 0.101 20 0 CCADLP CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@@H](O)C1 ZINC001083583243 815502284 /nfs/dbraw/zinc/50/22/84/815502284.db2.gz YPHAYGSXNSQHAQ-XQQFMLRXSA-N 2 2 292.383 0.017 20 0 CCADLP CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@@H](O)C1 ZINC001083583243 815502287 /nfs/dbraw/zinc/50/22/87/815502287.db2.gz YPHAYGSXNSQHAQ-XQQFMLRXSA-N 2 2 292.383 0.017 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000336841885 812230217 /nfs/dbraw/zinc/23/02/17/812230217.db2.gz QIPZDXUSTBVWQP-HIFRSBDPSA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000336841885 812230225 /nfs/dbraw/zinc/23/02/25/812230225.db2.gz QIPZDXUSTBVWQP-HIFRSBDPSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365633792 812319355 /nfs/dbraw/zinc/31/93/55/812319355.db2.gz WQKFRVZTPZJPQV-VHSXEESVSA-N 2 2 279.344 0.183 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365633792 812319364 /nfs/dbraw/zinc/31/93/64/812319364.db2.gz WQKFRVZTPZJPQV-VHSXEESVSA-N 2 2 279.344 0.183 20 0 CCADLP COC(=O)[C@@](C)(O)C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000709799387 812321685 /nfs/dbraw/zinc/32/16/85/812321685.db2.gz ANVWJORJQSCFGS-ZDUSSCGKSA-N 2 2 258.362 0.327 20 0 CCADLP CO[C@H](C)C[N@H+](C)CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001268251881 812417773 /nfs/dbraw/zinc/41/77/73/812417773.db2.gz KJFDKOSYPIKQTA-LLVKDONJSA-N 2 2 268.361 0.377 20 0 CCADLP CO[C@H](C)C[N@@H+](C)CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001268251881 812417777 /nfs/dbraw/zinc/41/77/77/812417777.db2.gz KJFDKOSYPIKQTA-LLVKDONJSA-N 2 2 268.361 0.377 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000300263648 812525533 /nfs/dbraw/zinc/52/55/33/812525533.db2.gz WOZALGVKDBVPEK-ZOBORPQBSA-N 2 2 274.405 0.458 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000300263648 812525537 /nfs/dbraw/zinc/52/55/37/812525537.db2.gz WOZALGVKDBVPEK-ZOBORPQBSA-N 2 2 274.405 0.458 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COCCOC ZINC000300262103 812525816 /nfs/dbraw/zinc/52/58/16/812525816.db2.gz PNDJPYQRHCGZIK-OLZOCXBDSA-N 2 2 260.378 0.084 20 0 CCADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COCCOC ZINC000300262103 812525823 /nfs/dbraw/zinc/52/58/23/812525823.db2.gz PNDJPYQRHCGZIK-OLZOCXBDSA-N 2 2 260.378 0.084 20 0 CCADLP COc1ccc(NC(=[NH2+])SCC[NH3+])c(C(N)=O)c1 ZINC001167911715 812590700 /nfs/dbraw/zinc/59/07/00/812590700.db2.gz FGTISGNWYNPDLU-UHFFFAOYSA-N 2 2 268.342 0.833 20 0 CCADLP CCN(CC[NH2+]CCO)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001268460676 812601640 /nfs/dbraw/zinc/60/16/40/812601640.db2.gz FABCXWPLUBEDMO-UHFFFAOYSA-N 2 2 276.340 0.607 20 0 CCADLP CCN(CC[NH2+]CCCO)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001268460537 812601754 /nfs/dbraw/zinc/60/17/54/812601754.db2.gz VBUPXMBNBOWMJL-CYBMUJFWSA-N 2 2 294.399 0.266 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+]2Cc2ccon2)C1 ZINC001028313869 812610946 /nfs/dbraw/zinc/61/09/46/812610946.db2.gz CIMMZBBSDVGJEU-GXTWGEPZSA-N 2 2 292.383 0.707 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+]2Cc2ccon2)C1 ZINC001028313869 812610950 /nfs/dbraw/zinc/61/09/50/812610950.db2.gz CIMMZBBSDVGJEU-GXTWGEPZSA-N 2 2 292.383 0.707 20 0 CCADLP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccon2)C1 ZINC001028313869 812610952 /nfs/dbraw/zinc/61/09/52/812610952.db2.gz CIMMZBBSDVGJEU-GXTWGEPZSA-N 2 2 292.383 0.707 20 0 CCADLP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2ccon2)C1 ZINC001028313869 812610955 /nfs/dbraw/zinc/61/09/55/812610955.db2.gz CIMMZBBSDVGJEU-GXTWGEPZSA-N 2 2 292.383 0.707 20 0 CCADLP COCCC[N@@H+]1CC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001269267070 813297046 /nfs/dbraw/zinc/29/70/46/813297046.db2.gz PVVZRINDBMEVTE-CYBMUJFWSA-N 2 2 294.399 0.580 20 0 CCADLP COCCC[N@H+]1CC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001269267070 813297052 /nfs/dbraw/zinc/29/70/52/813297052.db2.gz PVVZRINDBMEVTE-CYBMUJFWSA-N 2 2 294.399 0.580 20 0 CCADLP C[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2CC1 ZINC001269840763 813527154 /nfs/dbraw/zinc/52/71/54/813527154.db2.gz LXPFKQYPOUVAAW-BETUJISGSA-N 2 2 262.357 0.683 20 0 CCADLP C[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2CC1 ZINC001269840763 813527160 /nfs/dbraw/zinc/52/71/60/813527160.db2.gz LXPFKQYPOUVAAW-BETUJISGSA-N 2 2 262.357 0.683 20 0 CCADLP Cc1ncc(C[NH2+]CCNC(=O)CCc2[nH]cc[nH+]2)o1 ZINC001126441998 813597267 /nfs/dbraw/zinc/59/72/67/813597267.db2.gz GYLGAYGOYYCAIR-UHFFFAOYSA-N 2 2 277.328 0.545 20 0 CCADLP C[N@@H+]1CCO[C@]2(CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001270196134 813672627 /nfs/dbraw/zinc/67/26/27/813672627.db2.gz UCBVILHYISXSLS-OAHLLOKOSA-N 2 2 292.383 0.596 20 0 CCADLP C[N@H+]1CCO[C@]2(CCCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001270196134 813672633 /nfs/dbraw/zinc/67/26/33/813672633.db2.gz UCBVILHYISXSLS-OAHLLOKOSA-N 2 2 292.383 0.596 20 0 CCADLP COCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001270435675 813762163 /nfs/dbraw/zinc/76/21/63/813762163.db2.gz FWRBVIMRJVDHJL-STQMWFEESA-N 2 2 294.399 0.434 20 0 CCADLP CO[C@@H](C)C[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001167977040 813878861 /nfs/dbraw/zinc/87/88/61/813878861.db2.gz GGEKGUHOGMKQDD-NEPJUHHUSA-N 2 2 282.388 0.719 20 0 CCADLP CO[C@@H](C)C[NH2+]CCCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001167977040 813878871 /nfs/dbraw/zinc/87/88/71/813878871.db2.gz GGEKGUHOGMKQDD-NEPJUHHUSA-N 2 2 282.388 0.719 20 0 CCADLP CCOCC[N@@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001270665669 813880971 /nfs/dbraw/zinc/88/09/71/813880971.db2.gz RHCUEHHPAKOWJA-CQSZACIVSA-N 2 2 280.372 0.500 20 0 CCADLP CCOCC[N@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001270665669 813880980 /nfs/dbraw/zinc/88/09/80/813880980.db2.gz RHCUEHHPAKOWJA-CQSZACIVSA-N 2 2 280.372 0.500 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCn1cccn1 ZINC001038102914 814086752 /nfs/dbraw/zinc/08/67/52/814086752.db2.gz FVIKOJFSUSYMHW-UONOGXRCSA-N 2 2 291.399 0.168 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCn1cccn1 ZINC001038102914 814086764 /nfs/dbraw/zinc/08/67/64/814086764.db2.gz FVIKOJFSUSYMHW-UONOGXRCSA-N 2 2 291.399 0.168 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCn1cccn1 ZINC001038102914 814086775 /nfs/dbraw/zinc/08/67/75/814086775.db2.gz FVIKOJFSUSYMHW-UONOGXRCSA-N 2 2 291.399 0.168 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCn1cccn1 ZINC001038102914 814086783 /nfs/dbraw/zinc/08/67/83/814086783.db2.gz FVIKOJFSUSYMHW-UONOGXRCSA-N 2 2 291.399 0.168 20 0 CCADLP C[N@H+](CC(=O)N1[C@@H]2C[C@H]1C[NH+](C)C2)C1CCCC1 ZINC001271074461 814139543 /nfs/dbraw/zinc/13/95/43/814139543.db2.gz DYVFMJIJNNOUEE-BETUJISGSA-N 2 2 251.374 0.776 20 0 CCADLP C[N@@H+](CC(=O)N1[C@@H]2C[C@H]1C[NH+](C)C2)C1CCCC1 ZINC001271074461 814139549 /nfs/dbraw/zinc/13/95/49/814139549.db2.gz DYVFMJIJNNOUEE-BETUJISGSA-N 2 2 251.374 0.776 20 0 CCADLP C[NH+](CC(=O)N1[C@@H]2C[C@H]1C[N@@H+](C)C2)C1CCCC1 ZINC001271074461 814139553 /nfs/dbraw/zinc/13/95/53/814139553.db2.gz DYVFMJIJNNOUEE-BETUJISGSA-N 2 2 251.374 0.776 20 0 CCADLP C[NH+](CC(=O)N1[C@@H]2C[C@H]1C[N@H+](C)C2)C1CCCC1 ZINC001271074461 814139562 /nfs/dbraw/zinc/13/95/62/814139562.db2.gz DYVFMJIJNNOUEE-BETUJISGSA-N 2 2 251.374 0.776 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCO ZINC001029565472 814433176 /nfs/dbraw/zinc/43/31/76/814433176.db2.gz KELRQBSULKJBGM-BETUJISGSA-N 2 2 292.383 0.318 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCO ZINC001029565472 814433181 /nfs/dbraw/zinc/43/31/81/814433181.db2.gz KELRQBSULKJBGM-BETUJISGSA-N 2 2 292.383 0.318 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@H+](CCCO)CC[C@@H]2C1 ZINC001088219495 814447977 /nfs/dbraw/zinc/44/79/77/814447977.db2.gz GHWBDQNWVXOTCZ-KGLIPLIRSA-N 2 2 292.383 0.046 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@@H+](CCCO)CC[C@@H]2C1 ZINC001088219495 814447981 /nfs/dbraw/zinc/44/79/81/814447981.db2.gz GHWBDQNWVXOTCZ-KGLIPLIRSA-N 2 2 292.383 0.046 20 0 CCADLP C[C@H](O)C[NH2+][C@@H]1CCCCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001088390201 814667358 /nfs/dbraw/zinc/66/73/58/814667358.db2.gz IDZMDDPWQZCKHC-QWHCGFSZSA-N 2 2 294.399 0.694 20 0 CCADLP COC(=O)C1(O)CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168395360 815771757 /nfs/dbraw/zinc/77/17/57/815771757.db2.gz XCGLPFQLXLADIG-UHFFFAOYSA-N 2 2 296.411 0.861 20 0 CCADLP CC[NH+](CC)CC(=O)NC[C@@H](O)CNc1cc[nH+]c(C)n1 ZINC001105869701 815932219 /nfs/dbraw/zinc/93/22/19/815932219.db2.gz YZQCZLXHUCHSAK-LBPRGKRZSA-N 2 2 295.387 0.016 20 0 CCADLP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC2C[NH+](CCCO)C2)C1 ZINC001030432827 816037857 /nfs/dbraw/zinc/03/78/57/816037857.db2.gz PJZPPUIEAXDKNA-CYBMUJFWSA-N 2 2 283.416 0.147 20 0 CCADLP CC(C)C[N@H+]1CC[C@@H](C(=O)NC2C[NH+](CCCO)C2)C1 ZINC001030432827 816037862 /nfs/dbraw/zinc/03/78/62/816037862.db2.gz PJZPPUIEAXDKNA-CYBMUJFWSA-N 2 2 283.416 0.147 20 0 CCADLP COCC[NH+]1CC(NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001030512036 816079206 /nfs/dbraw/zinc/07/92/06/816079206.db2.gz KJYFPPHCFAWBBT-UHFFFAOYSA-N 2 2 281.400 0.309 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@@H+]1CCO ZINC001088867937 816126002 /nfs/dbraw/zinc/12/60/02/816126002.db2.gz AASXUWYWIWSPSM-LPWJVIDDSA-N 2 2 292.383 0.095 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@H+]1CCO ZINC001088867937 816126003 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CC[C@@H](C(=O)N[C@H](C)C[NH3+])[N@H+]1CCO[C@H](CC)C1 ZINC001122015908 816536516 /nfs/dbraw/zinc/53/65/16/816536516.db2.gz UTWOGCRCERMXOK-UTUOFQBUSA-N 2 2 257.378 0.339 20 0 CCADLP Cn1c[nH+]cc1CN1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001038095665 816617130 /nfs/dbraw/zinc/61/71/30/816617130.db2.gz MKUCWGKDQFGDGB-OCCSQVGLSA-N 2 2 291.399 0.205 20 0 CCADLP Cn1c[nH+]cc1CN1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001038095665 816617137 /nfs/dbraw/zinc/61/71/37/816617137.db2.gz MKUCWGKDQFGDGB-OCCSQVGLSA-N 2 2 291.399 0.205 20 0 CCADLP CC[NH+]1CC(NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001031083954 816633700 /nfs/dbraw/zinc/63/37/00/816633700.db2.gz PPMFNIWTWCZZKG-QWHCGFSZSA-N 2 2 251.374 0.824 20 0 CCADLP CC[NH+]1CC(NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001031083954 816633702 /nfs/dbraw/zinc/63/37/02/816633702.db2.gz PPMFNIWTWCZZKG-QWHCGFSZSA-N 2 2 251.374 0.824 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C[NH2+]CCCO ZINC001106226034 816663832 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CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1csnn1 ZINC001128773784 818984234 /nfs/dbraw/zinc/98/42/34/818984234.db2.gz DTYLGKYASIQEIH-LBPRGKRZSA-N 2 2 297.428 0.618 20 0 CCADLP COC(=O)/C(C)=C/C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000702300865 819093021 /nfs/dbraw/zinc/09/30/21/819093021.db2.gz CKDQUVBHLRJXCN-PGMIRAASSA-N 2 2 252.358 0.989 20 0 CCADLP COC(=O)/C(C)=C/C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000702300865 819093030 /nfs/dbraw/zinc/09/30/30/819093030.db2.gz CKDQUVBHLRJXCN-PGMIRAASSA-N 2 2 252.358 0.989 20 0 CCADLP COC(=O)/C(C)=C/C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000702300865 819093035 /nfs/dbraw/zinc/09/30/35/819093035.db2.gz CKDQUVBHLRJXCN-PGMIRAASSA-N 2 2 252.358 0.989 20 0 CCADLP COC(=O)/C(C)=C/C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000702300865 819093041 /nfs/dbraw/zinc/09/30/41/819093041.db2.gz CKDQUVBHLRJXCN-PGMIRAASSA-N 2 2 252.358 0.989 20 0 CCADLP C[C@H](O)C[N@@H+]1CCCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001034485629 819221902 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CULVTCVTMMZRKO-JHJVBQTASA-N 2 2 298.362 0.447 20 0 CCADLP CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC001082604602 821004617 /nfs/dbraw/zinc/00/46/17/821004617.db2.gz VHDZKFKFDMGTDL-FRRDWIJNSA-N 2 2 276.384 0.902 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1[NH2+]CCO ZINC001082733856 821027545 /nfs/dbraw/zinc/02/75/45/821027545.db2.gz XJERHNFQLQXMME-NTZNESFSSA-N 2 2 292.383 0.258 20 0 CCADLP COCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001084311219 821266652 /nfs/dbraw/zinc/26/66/52/821266652.db2.gz BMIMTNUYBMSGPA-CHWSQXEVSA-N 2 2 292.383 0.521 20 0 CCADLP COCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001084311219 821266661 /nfs/dbraw/zinc/26/66/61/821266661.db2.gz BMIMTNUYBMSGPA-CHWSQXEVSA-N 2 2 292.383 0.521 20 0 CCADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000828635162 821793466 /nfs/dbraw/zinc/79/34/66/821793466.db2.gz FEZXUNKGEBDLAM-IAQYHMDHSA-N 2 2 291.351 0.126 20 0 CCADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC000828635162 821793472 /nfs/dbraw/zinc/79/34/72/821793472.db2.gz FEZXUNKGEBDLAM-IAQYHMDHSA-N 2 2 291.351 0.126 20 0 CCADLP CN(C)c1cccc(NC[C@H]2C[N@H+](C)CCO2)[nH+]1 ZINC001155193406 822084502 /nfs/dbraw/zinc/08/45/02/822084502.db2.gz GNGJNYNIQFDEDB-NSHDSACASA-N 2 2 250.346 0.890 20 0 CCADLP CN(C)c1cccc(NC[C@H]2C[N@@H+](C)CCO2)[nH+]1 ZINC001155193406 822084510 /nfs/dbraw/zinc/08/45/10/822084510.db2.gz GNGJNYNIQFDEDB-NSHDSACASA-N 2 2 250.346 0.890 20 0 CCADLP O=C(NC[C@H]1C[C@@H]([NH2+]CCF)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001086126251 822121557 /nfs/dbraw/zinc/12/15/57/822121557.db2.gz WEADUAZMAVFRQR-RWMBFGLXSA-N 2 2 294.374 0.899 20 0 CCADLP CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001086404752 822241941 /nfs/dbraw/zinc/24/19/41/822241941.db2.gz NNJHOBCFECHOCV-AVGNSLFASA-N 2 2 276.384 0.950 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCC[NH2+]Cc1cnon1 ZINC001129422125 837504624 /nfs/dbraw/zinc/50/46/24/837504624.db2.gz FWOAJNUKZDKJTA-ZDUSSCGKSA-N 2 2 295.387 0.538 20 0 CCADLP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCC[NH2+]Cc1cnon1 ZINC001129422125 837504629 /nfs/dbraw/zinc/50/46/29/837504629.db2.gz FWOAJNUKZDKJTA-ZDUSSCGKSA-N 2 2 295.387 0.538 20 0 CCADLP C[NH+](C)[C@H](C(=O)NCC[NH2+]Cc1csnn1)C1CC1 ZINC001129436109 837512015 /nfs/dbraw/zinc/51/20/15/837512015.db2.gz MSHQAHFCGDGURR-NSHDSACASA-N 2 2 283.401 0.084 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C)o1 ZINC001129949372 837588793 /nfs/dbraw/zinc/58/87/93/837588793.db2.gz BUEFOVXCUJWTQH-JQWIXIFHSA-N 2 2 297.403 0.731 20 0 CCADLP C[C@]1(F)CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)C[C@@H]1F ZINC001157923230 837707524 /nfs/dbraw/zinc/70/75/24/837707524.db2.gz BLOYIHGQSPOFQY-UKJIMTQDSA-N 2 2 273.327 0.237 20 0 CCADLP CC(C)C[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130481011 837806023 /nfs/dbraw/zinc/80/60/23/837806023.db2.gz IKOKZSHTCUWFSH-LBPRGKRZSA-N 2 2 264.373 0.807 20 0 CCADLP CC[C@@H](F)C[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130484502 837808499 /nfs/dbraw/zinc/80/84/99/837808499.db2.gz OZNRQUKTCYIAHT-NWDGAFQWSA-N 2 2 282.363 0.899 20 0 CCADLP O=C(N[C@@H](CO)Cc1c[nH+]c[nH]1)C12CCC[NH+]1CCC2 ZINC001183559992 844037817 /nfs/dbraw/zinc/03/78/17/844037817.db2.gz MTWSFKNGDSAIBZ-GFCCVEGCSA-N 2 2 278.356 0.058 20 0 CCADLP C[C@H]1C[N@@H+](Cc2cn3c(n2)C[NH2+]CC3)CCC[C@H]1C[NH3+] ZINC001205994882 836033581 /nfs/dbraw/zinc/03/35/81/836033581.db2.gz MVRYDEOYWKTJCZ-STQMWFEESA-N 3 2 277.416 0.793 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc2nc[nH]c2cc1F ZINC001169076789 836116483 /nfs/dbraw/zinc/11/64/83/836116483.db2.gz YBTAIGRIJYHQPV-MRVPVSSYSA-N 2 2 275.287 0.750 20 0 CCADLP CC(C)(C)c1nccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169066718 836122474 /nfs/dbraw/zinc/12/24/74/836122474.db2.gz GWHQWSQSWPQSII-SNVBAGLBSA-N 2 2 275.356 0.822 20 0 CCADLP COc1cc(Cl)nnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169067024 836123085 /nfs/dbraw/zinc/12/30/85/836123085.db2.gz LJXIAZDIAZVSOL-SSDOTTSWSA-N 2 2 283.719 0.186 20 0 CCADLP CC[C@@H](C)Oc1nccnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169072340 836125902 /nfs/dbraw/zinc/12/59/02/836125902.db2.gz MSFDUHZWXGCMGM-GHMZBOCLSA-N 2 2 291.355 0.702 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cnc2nccnc2c1 ZINC001169073384 836127588 /nfs/dbraw/zinc/12/75/88/836127588.db2.gz GKFJQWFSWIAOAI-SECBINFHSA-N 2 2 270.296 0.073 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CC3(C1)CS(=O)(=O)C3)C2 ZINC001169098156 836130745 /nfs/dbraw/zinc/13/07/45/836130745.db2.gz GEFJFFJNTALHCT-LMKPVCQUSA-N 2 2 284.425 0.778 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CC3(C1)CS(=O)(=O)C3)C2 ZINC001169098156 836130748 /nfs/dbraw/zinc/13/07/48/836130748.db2.gz GEFJFFJNTALHCT-LMKPVCQUSA-N 2 2 284.425 0.778 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CC3(C1)CS(=O)(=O)C3)C2 ZINC001169098157 836131191 /nfs/dbraw/zinc/13/11/91/836131191.db2.gz GEFJFFJNTALHCT-UOJUARBOSA-N 2 2 284.425 0.778 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C1CC3(C1)CS(=O)(=O)C3)C2 ZINC001169098157 836131197 /nfs/dbraw/zinc/13/11/97/836131197.db2.gz GEFJFFJNTALHCT-UOJUARBOSA-N 2 2 284.425 0.778 20 0 CCADLP COC(=O)CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(N)=O ZINC001169115351 836152681 /nfs/dbraw/zinc/15/26/81/836152681.db2.gz JEBNEZHCJSPVJT-YFKTTZPYSA-N 2 2 283.372 0.008 20 0 CCADLP COC(=O)CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(N)=O ZINC001169115351 836152684 /nfs/dbraw/zinc/15/26/84/836152684.db2.gz JEBNEZHCJSPVJT-YFKTTZPYSA-N 2 2 283.372 0.008 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN3C(=O)OC[C@H]3C1)C2 ZINC001169144116 836153931 /nfs/dbraw/zinc/15/39/31/836153931.db2.gz IVFRTBFDDDNRBM-MROQNXINSA-N 2 2 265.357 0.748 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCN3C(=O)OC[C@H]3C1)C2 ZINC001169144116 836153935 /nfs/dbraw/zinc/15/39/35/836153935.db2.gz IVFRTBFDDDNRBM-MROQNXINSA-N 2 2 265.357 0.748 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCN3C(=O)OC[C@H]3C1)C2 ZINC001169144116 836153938 /nfs/dbraw/zinc/15/39/38/836153938.db2.gz IVFRTBFDDDNRBM-MROQNXINSA-N 2 2 265.357 0.748 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCN3C(=O)OC[C@H]3C1)C2 ZINC001169144116 836153942 /nfs/dbraw/zinc/15/39/42/836153942.db2.gz IVFRTBFDDDNRBM-MROQNXINSA-N 2 2 265.357 0.748 20 0 CCADLP COC[C@@H](C)[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169228421 836162658 /nfs/dbraw/zinc/16/26/58/836162658.db2.gz JBZMFKCNAPGEPQ-SNVBAGLBSA-N 2 2 254.334 0.083 20 0 CCADLP CC[NH+]1CCC([NH2+]C2CN(c3cnccn3)C2)CC1 ZINC001169229595 836165117 /nfs/dbraw/zinc/16/51/17/836165117.db2.gz DBFBWDZJMNFNOD-UHFFFAOYSA-N 2 2 261.373 0.739 20 0 CCADLP CC[NH+]1CCC([NH2+][C@@H](Cc2ccc(O)cc2)C(O)O)CC1 ZINC001169232792 836166249 /nfs/dbraw/zinc/16/62/49/836166249.db2.gz BSJQFEUYPYZIGV-HNNXBMFYSA-N 2 2 294.395 0.688 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNc1cc(N2CCOCC2)cc[nH+]1 ZINC001169650503 836403390 /nfs/dbraw/zinc/40/33/90/836403390.db2.gz AIJBZAITVOGXKP-AWEZNQCLSA-N 2 2 292.383 0.661 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNc1cc(N2CCOCC2)cc[nH+]1 ZINC001169650503 836403398 /nfs/dbraw/zinc/40/33/98/836403398.db2.gz AIJBZAITVOGXKP-AWEZNQCLSA-N 2 2 292.383 0.661 20 0 CCADLP C[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001109386293 836668161 /nfs/dbraw/zinc/66/81/61/836668161.db2.gz VHPQSGDVJSNSIM-GHYVTOPFSA-N 2 2 292.383 0.445 20 0 CCADLP C[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C2 ZINC001109386293 836668169 /nfs/dbraw/zinc/66/81/69/836668169.db2.gz VHPQSGDVJSNSIM-GHYVTOPFSA-N 2 2 292.383 0.445 20 0 CCADLP C[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001109386293 836668176 /nfs/dbraw/zinc/66/81/76/836668176.db2.gz VHPQSGDVJSNSIM-GHYVTOPFSA-N 2 2 292.383 0.445 20 0 CCADLP C[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C2 ZINC001109386293 836668184 /nfs/dbraw/zinc/66/81/84/836668184.db2.gz VHPQSGDVJSNSIM-GHYVTOPFSA-N 2 2 292.383 0.445 20 0 CCADLP CO[C@@H](C)C[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157265486 836907040 /nfs/dbraw/zinc/90/70/40/836907040.db2.gz SMKCLUDBZZXIGH-NSHDSACASA-N 2 2 268.361 0.473 20 0 CCADLP CCOCC[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001184492052 844239994 /nfs/dbraw/zinc/23/99/94/844239994.db2.gz GSVYABDCJOTQLG-CYBMUJFWSA-N 2 2 294.399 0.580 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CC[NH+](C[C@H](C)OC)CC1 ZINC001113572756 837164377 /nfs/dbraw/zinc/16/43/77/837164377.db2.gz KVMMLEVJQLJNHD-ZDUSSCGKSA-N 2 2 271.405 0.507 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[NH+](C[C@H](C)OC)CC1 ZINC001113572756 837164382 /nfs/dbraw/zinc/16/43/82/837164382.db2.gz KVMMLEVJQLJNHD-ZDUSSCGKSA-N 2 2 271.405 0.507 20 0 CCADLP CC(C)COCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001113629737 837183443 /nfs/dbraw/zinc/18/34/43/837183443.db2.gz WPBYKFTVMZHSPH-HNNXBMFYSA-N 2 2 297.443 0.755 20 0 CCADLP CC(C)COCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001113629737 837183449 /nfs/dbraw/zinc/18/34/49/837183449.db2.gz WPBYKFTVMZHSPH-HNNXBMFYSA-N 2 2 297.443 0.755 20 0 CCADLP C[C@H](O)CCC[NH+]1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001113724371 837205857 /nfs/dbraw/zinc/20/58/57/837205857.db2.gz ZBAWLOMJLYSAJQ-ZDUSSCGKSA-N 2 2 280.372 0.188 20 0 CCADLP COc1cc(Cl)cnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158204205 837980114 /nfs/dbraw/zinc/98/01/14/837980114.db2.gz NBAWJEBIYFRWAP-SECBINFHSA-N 2 2 282.731 0.791 20 0 CCADLP C[C@H](Nc1ncnc2c1C[N@H+](C)CC2)[C@@H]1C[NH2+]CCO1 ZINC001170572583 838151838 /nfs/dbraw/zinc/15/18/38/838151838.db2.gz QYPATYLNQDOXJK-GWCFXTLKSA-N 2 2 277.372 0.253 20 0 CCADLP C[C@H](Nc1ncnc2c1C[N@@H+](C)CC2)[C@@H]1C[NH2+]CCO1 ZINC001170572583 838151840 /nfs/dbraw/zinc/15/18/40/838151840.db2.gz QYPATYLNQDOXJK-GWCFXTLKSA-N 2 2 277.372 0.253 20 0 CCADLP CC(C)OCCC[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131656181 838171816 /nfs/dbraw/zinc/17/18/16/838171816.db2.gz KIXWZBXZJXRPHO-UHFFFAOYSA-N 2 2 296.415 0.874 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC[NH2+]CCCF ZINC001131822359 838231043 /nfs/dbraw/zinc/23/10/43/838231043.db2.gz OENKBAJVCYVOAU-CYBMUJFWSA-N 2 2 289.395 0.553 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC[NH2+]CCCF ZINC001131822359 838231051 /nfs/dbraw/zinc/23/10/51/838231051.db2.gz OENKBAJVCYVOAU-CYBMUJFWSA-N 2 2 289.395 0.553 20 0 CCADLP CCCCOCC[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132085429 838319218 /nfs/dbraw/zinc/31/92/18/838319218.db2.gz VDVWGHSBVBIFCP-UHFFFAOYSA-N 2 2 282.388 0.796 20 0 CCADLP CCc1nnc([C@@H](C)[NH2+]CCNC(=O)CCC[NH+](C)C)o1 ZINC001133051951 838543035 /nfs/dbraw/zinc/54/30/35/838543035.db2.gz WCMPHXGXAVODNK-LLVKDONJSA-N 2 2 297.403 0.741 20 0 CCADLP COCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001133354091 838609095 /nfs/dbraw/zinc/60/90/95/838609095.db2.gz MTODQMXXLHSPMB-UONOGXRCSA-N 2 2 294.399 0.604 20 0 CCADLP Cn1cc[nH+]c1CCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054292396 838615949 /nfs/dbraw/zinc/61/59/49/838615949.db2.gz IBSZDQDHMRWHGJ-LLVKDONJSA-N 2 2 250.346 0.469 20 0 CCADLP COCC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001185204956 844363051 /nfs/dbraw/zinc/36/30/51/844363051.db2.gz LDHVXXXXXDZPFC-STQMWFEESA-N 2 2 294.399 0.673 20 0 CCADLP CCc1noc(C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)n1 ZINC001133864180 838757050 /nfs/dbraw/zinc/75/70/50/838757050.db2.gz WLRXUWHEVDXNMH-WDEREUQCSA-N 2 2 295.387 0.036 20 0 CCADLP CCc1noc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)n1 ZINC001133864180 838757057 /nfs/dbraw/zinc/75/70/57/838757057.db2.gz WLRXUWHEVDXNMH-WDEREUQCSA-N 2 2 295.387 0.036 20 0 CCADLP CC[C@@H](C(=O)NCC[NH2+][C@H](C)c1nc(C)no1)[NH+](C)C ZINC001133968261 838796776 /nfs/dbraw/zinc/79/67/76/838796776.db2.gz TWDWMSSWDUJUIM-KOLCDFICSA-N 2 2 283.376 0.485 20 0 CCADLP COC[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134046231 838843038 /nfs/dbraw/zinc/84/30/38/838843038.db2.gz VZDVRLXSKFMDLC-QJPTWQEYSA-N 2 2 280.372 0.264 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]C[C@@H](O)C1CCCCC1 ZINC001134393069 838965691 /nfs/dbraw/zinc/96/56/91/838965691.db2.gz INLFVMKBKKMGOH-CQSZACIVSA-N 2 2 294.399 0.599 20 0 CCADLP CO[C@@H](C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1)C1CCC1 ZINC001134397101 838966670 /nfs/dbraw/zinc/96/66/70/838966670.db2.gz IZSIMQYJEHUTAR-ZDUSSCGKSA-N 2 2 280.372 0.473 20 0 CCADLP CC(C)C[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001135071962 839151051 /nfs/dbraw/zinc/15/10/51/839151051.db2.gz NHYYULLSVQTMLC-NSHDSACASA-N 2 2 252.362 0.950 20 0 CCADLP CC(C)C[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001135071962 839151054 /nfs/dbraw/zinc/15/10/54/839151054.db2.gz NHYYULLSVQTMLC-NSHDSACASA-N 2 2 252.362 0.950 20 0 CCADLP CC[C@@H](C[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)OC ZINC001135080107 839155750 /nfs/dbraw/zinc/15/57/50/839155750.db2.gz KYOONJWPKKCMQB-AAEUAGOBSA-N 2 2 282.388 0.719 20 0 CCADLP CC[C@@H](C[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)OC ZINC001135080107 839155754 /nfs/dbraw/zinc/15/57/54/839155754.db2.gz KYOONJWPKKCMQB-AAEUAGOBSA-N 2 2 282.388 0.719 20 0 CCADLP CCc1nnc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)C2)o1 ZINC001185408850 844415045 /nfs/dbraw/zinc/41/50/45/844415045.db2.gz YPUQRBAZMNETSF-LLVKDONJSA-N 2 2 295.387 0.274 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]C[C@@H]1CCCCO1 ZINC001135757861 839391837 /nfs/dbraw/zinc/39/18/37/839391837.db2.gz SNLRWOKTIOTMDX-NSHDSACASA-N 2 2 266.345 0.227 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]CC1CCCC1 ZINC001135757720 839392172 /nfs/dbraw/zinc/39/21/72/839392172.db2.gz MUFXJNFREJCHIK-UHFFFAOYSA-N 2 2 250.346 0.848 20 0 CCADLP C[C@H](C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1)[NH2+]CCF ZINC001135799598 839419055 /nfs/dbraw/zinc/41/90/55/839419055.db2.gz VZMAKHJXEHCAPG-ZJUUUORDSA-N 2 2 256.325 0.795 20 0 CCADLP CC[C@@]([NH3+])(CO)Nc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001170865215 839458483 /nfs/dbraw/zinc/45/84/83/839458483.db2.gz KOIFCWQLQFSOET-AWEZNQCLSA-N 3 2 275.356 0.490 20 0 CCADLP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1c[nH+]ccc1OC ZINC001170873607 839479425 /nfs/dbraw/zinc/47/94/25/839479425.db2.gz GEGMNLRJSOTIHA-NXEZZACHSA-N 2 2 265.313 0.653 20 0 CCADLP C[C@H](C[C@@H](C)[NH2+]CCCO)NC(=O)CCc1c[nH+]cn1C ZINC001136054479 839509135 /nfs/dbraw/zinc/50/91/35/839509135.db2.gz JSTVJGFOWRNXDA-CHWSQXEVSA-N 2 2 296.415 0.608 20 0 CCADLP [NH3+]CCC[C@H]([NH3+])Nc1c[nH+]ccc1N1CCOCC1 ZINC001170899447 839547796 /nfs/dbraw/zinc/54/77/96/839547796.db2.gz CDSINUAISTUHIM-CYBMUJFWSA-N 3 2 265.361 0.354 20 0 CCADLP O[C@@H](C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC001246028998 839585708 /nfs/dbraw/zinc/58/57/08/839585708.db2.gz VBGFHYQHDMAPOT-LSDHHAIUSA-N 2 2 261.369 0.357 20 0 CCADLP O[C@@H](C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC001246028998 839585710 /nfs/dbraw/zinc/58/57/10/839585710.db2.gz VBGFHYQHDMAPOT-LSDHHAIUSA-N 2 2 261.369 0.357 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)CCN1 ZINC001246077979 839595145 /nfs/dbraw/zinc/59/51/45/839595145.db2.gz HCEAESSYWXFZFG-RNJOBUHISA-N 2 2 269.389 0.400 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@@H](N[C@H]2CC[C@H](C)[NH2+]C2)C[NH2+]1 ZINC001246086748 839602078 /nfs/dbraw/zinc/60/20/78/839602078.db2.gz VUHAQCACBFUGOC-CIQGVGRVSA-N 2 2 269.389 0.400 20 0 CCADLP C([NH2+][C@@H]1CCC[NH2+]C1)[C@H]1CCC2(CC[NH2+]CC2)CO1 ZINC001246165832 839657433 /nfs/dbraw/zinc/65/74/33/839657433.db2.gz CKLIQXAMYJNCSZ-ZIAGYGMSSA-N 3 2 267.417 0.877 20 0 CCADLP CC(C)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001090728203 839757619 /nfs/dbraw/zinc/75/76/19/839757619.db2.gz QHCOKQYEXBOMCV-UONOGXRCSA-N 2 2 294.399 0.170 20 0 CCADLP CC(C)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)[C@H](O)C1 ZINC001090728203 839757629 /nfs/dbraw/zinc/75/76/29/839757629.db2.gz QHCOKQYEXBOMCV-UONOGXRCSA-N 2 2 294.399 0.170 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]C2)CCN1 ZINC001246345486 839812426 /nfs/dbraw/zinc/81/24/26/839812426.db2.gz BJYACCSMWGTXEW-UTUOFQBUSA-N 2 2 255.362 0.012 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1CC([NH2+]CCF)C1 ZINC001091239786 840152944 /nfs/dbraw/zinc/15/29/44/840152944.db2.gz JPOBJHZAUAHKSS-FIYWTHMPSA-N 2 2 294.374 0.978 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N2CC([NH+]3CCCCC3)C2)C[NH2+]1 ZINC001246847768 840294918 /nfs/dbraw/zinc/29/49/18/840294918.db2.gz MNASIGUMWBYNNF-YPMHNXCESA-N 2 2 267.373 0.060 20 0 CCADLP C[C@H](C[C@@H](C)[NH2+]CCF)NC(=O)Cn1cc[nH+]c1 ZINC001146758196 840371301 /nfs/dbraw/zinc/37/13/01/840371301.db2.gz RTCBYXTWUAEACB-GHMZBOCLSA-N 2 2 256.325 0.726 20 0 CCADLP CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC001146787115 840378292 /nfs/dbraw/zinc/37/82/92/840378292.db2.gz RCZRDQYZAWGOAN-ZDUSSCGKSA-N 2 2 269.389 0.165 20 0 CCADLP CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001146787115 840378303 /nfs/dbraw/zinc/37/83/03/840378303.db2.gz RCZRDQYZAWGOAN-ZDUSSCGKSA-N 2 2 269.389 0.165 20 0 CCADLP CN1C(=O)CC[C@H]2C[N@H+]([C@@H]3CCC[NH2+]C3)CC[C@H]21 ZINC001246990425 840691799 /nfs/dbraw/zinc/69/17/99/840691799.db2.gz TWZKGENOVSYDNK-YNEHKIRRSA-N 2 2 251.374 0.681 20 0 CCADLP CN1C(=O)CC[C@H]2C[N@@H+]([C@@H]3CCC[NH2+]C3)CC[C@H]21 ZINC001246990425 840691805 /nfs/dbraw/zinc/69/18/05/840691805.db2.gz TWZKGENOVSYDNK-YNEHKIRRSA-N 2 2 251.374 0.681 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)C[C@@H]2CC[N@H+](C)C2)o1 ZINC001147884550 840713368 /nfs/dbraw/zinc/71/33/68/840713368.db2.gz FKRKMRCUFGPXDI-NSHDSACASA-N 2 2 295.387 0.180 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)o1 ZINC001147884550 840713376 /nfs/dbraw/zinc/71/33/76/840713376.db2.gz FKRKMRCUFGPXDI-NSHDSACASA-N 2 2 295.387 0.180 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]CCNC(=O)CCCC[NH+](C)C)n1 ZINC001148364855 840794244 /nfs/dbraw/zinc/79/42/44/840794244.db2.gz FJXSCYDRJQUUOC-LLVKDONJSA-N 2 2 297.403 0.877 20 0 CCADLP CCC[N@H+](C)CCC(=O)NCC[NH2+]Cc1nncs1 ZINC001148578146 840848242 /nfs/dbraw/zinc/84/82/42/840848242.db2.gz OTRNIRJUMNEIOS-UHFFFAOYSA-N 2 2 285.417 0.476 20 0 CCADLP CCC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1nncs1 ZINC001148578146 840848255 /nfs/dbraw/zinc/84/82/55/840848255.db2.gz OTRNIRJUMNEIOS-UHFFFAOYSA-N 2 2 285.417 0.476 20 0 CCADLP CCN(CC[NH2+]C[C@H](C)O)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001273457012 840960054 /nfs/dbraw/zinc/96/00/54/840960054.db2.gz DRWHHPWTCDVYAR-NSHDSACASA-N 2 2 290.367 0.995 20 0 CCADLP CC[N@H+](C)CCC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001093174829 841169248 /nfs/dbraw/zinc/16/92/48/841169248.db2.gz KLNZMXNNBBFSFM-UHFFFAOYSA-N 2 2 291.399 0.775 20 0 CCADLP CC[N@@H+](C)CCC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001093174829 841169254 /nfs/dbraw/zinc/16/92/54/841169254.db2.gz KLNZMXNNBBFSFM-UHFFFAOYSA-N 2 2 291.399 0.775 20 0 CCADLP O[C@H](C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)C(F)(F)F ZINC000714994176 841238713 /nfs/dbraw/zinc/23/87/13/841238713.db2.gz GUPQBZDKLHFWCO-OPRDCNLKSA-N 2 2 252.280 0.984 20 0 CCADLP O[C@H](C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)C(F)(F)F ZINC000714994176 841238721 /nfs/dbraw/zinc/23/87/21/841238721.db2.gz GUPQBZDKLHFWCO-OPRDCNLKSA-N 2 2 252.280 0.984 20 0 CCADLP COCC[N@@H+]1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001036851258 841396317 /nfs/dbraw/zinc/39/63/17/841396317.db2.gz JNTWNNRIAKIHCX-STQMWFEESA-N 2 2 292.383 0.521 20 0 CCADLP COCC[N@H+]1CC[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001036851258 841396327 /nfs/dbraw/zinc/39/63/27/841396327.db2.gz JNTWNNRIAKIHCX-STQMWFEESA-N 2 2 292.383 0.521 20 0 CCADLP CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)CC[C@H]21 ZINC001036869478 841431470 /nfs/dbraw/zinc/43/14/70/841431470.db2.gz FEGYOBGAYJYBPN-TZMCWYRMSA-N 2 2 276.384 0.905 20 0 CCADLP CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)CC[C@H]21 ZINC001036869478 841431475 /nfs/dbraw/zinc/43/14/75/841431475.db2.gz FEGYOBGAYJYBPN-TZMCWYRMSA-N 2 2 276.384 0.905 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCF)C1 ZINC001036866629 841439682 /nfs/dbraw/zinc/43/96/82/841439682.db2.gz IIBCOBJXMKAEQI-OCCSQVGLSA-N 2 2 294.374 0.855 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CCF)C1 ZINC001036866629 841439689 /nfs/dbraw/zinc/43/96/89/841439689.db2.gz IIBCOBJXMKAEQI-OCCSQVGLSA-N 2 2 294.374 0.855 20 0 CCADLP CC(C)(C)OC(=O)N1C[C@H]([NH2+]C2(C[NH3+])CC2)CC1=O ZINC001171699205 841748324 /nfs/dbraw/zinc/74/83/24/841748324.db2.gz QBXRYORLVFTKAP-SECBINFHSA-N 2 2 269.345 0.603 20 0 CCADLP CN1[C@H]2COC[C@@H]1CC([N@H+](C)C1CC[NH+](C)CC1)C2 ZINC001172134114 841838907 /nfs/dbraw/zinc/83/89/07/841838907.db2.gz KNGHUTCMWVRCAP-GOOCMWNKSA-N 2 2 267.417 0.874 20 0 CCADLP CN1[C@H]2COC[C@@H]1CC([N@@H+](C)C1CC[NH+](C)CC1)C2 ZINC001172134114 841838912 /nfs/dbraw/zinc/83/89/12/841838912.db2.gz KNGHUTCMWVRCAP-GOOCMWNKSA-N 2 2 267.417 0.874 20 0 CCADLP COCCC[NH+]1CCC([NH2+]CCC[N@H+](C)CCO)CC1 ZINC001172250372 841914158 /nfs/dbraw/zinc/91/41/58/841914158.db2.gz XGNSIZJBGZXBNU-UHFFFAOYSA-N 3 2 287.448 0.391 20 0 CCADLP COCCC[NH+]1CCC([NH2+]CCC[N@@H+](C)CCO)CC1 ZINC001172250372 841914163 /nfs/dbraw/zinc/91/41/63/841914163.db2.gz XGNSIZJBGZXBNU-UHFFFAOYSA-N 3 2 287.448 0.391 20 0 CCADLP CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001095024549 842014245 /nfs/dbraw/zinc/01/42/45/842014245.db2.gz BOJFBLJNUFXRNE-TUAOUCFPSA-N 2 2 262.357 0.941 20 0 CCADLP CC[N@@H+]1CC[C@@H](N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC001173366097 842068328 /nfs/dbraw/zinc/06/83/28/842068328.db2.gz WJAMFHMUYQUNAF-ZIAGYGMSSA-N 2 2 253.390 0.487 20 0 CCADLP CC[N@H+]1CC[C@@H](N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC001173366097 842068339 /nfs/dbraw/zinc/06/83/39/842068339.db2.gz WJAMFHMUYQUNAF-ZIAGYGMSSA-N 2 2 253.390 0.487 20 0 CCADLP CCOC(=O)C[C@H]1CC[C@@H]([NH2+]C2(C[NH3+])COC2)C1 ZINC001173631169 842121489 /nfs/dbraw/zinc/12/14/89/842121489.db2.gz UHDFJZIKNYQZHK-WDEREUQCSA-N 2 2 256.346 0.426 20 0 CCADLP COCCOCC[NH2+]CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001174682770 842198949 /nfs/dbraw/zinc/19/89/49/842198949.db2.gz MXBPEAVIIGWGKP-UHFFFAOYSA-N 2 2 298.387 0.020 20 0 CCADLP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](c2nn[nH]n2)C1 ZINC001175698157 842268560 /nfs/dbraw/zinc/26/85/60/842268560.db2.gz LTTCCLSBACCCIY-LLVKDONJSA-N 2 2 252.366 0.721 20 0 CCADLP CC[NH+](CC)CCC[N@H+]1CC[C@@H](c2nn[nH]n2)C1 ZINC001175698157 842268568 /nfs/dbraw/zinc/26/85/68/842268568.db2.gz LTTCCLSBACCCIY-LLVKDONJSA-N 2 2 252.366 0.721 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCCC[NH2+]CCCO ZINC001176350880 842363605 /nfs/dbraw/zinc/36/36/05/842363605.db2.gz MQLFSRYYKVDREO-GFCCVEGCSA-N 2 2 296.415 0.908 20 0 CCADLP [NH3+]CC1(NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)COC1 ZINC001176970630 842473538 /nfs/dbraw/zinc/47/35/38/842473538.db2.gz OYDAHYMEHSGZAB-LBPRGKRZSA-N 2 2 290.367 0.142 20 0 CCADLP CO[C@@H](C)C[NH2+]CCCNC(=O)CCCn1cc[nH+]c1 ZINC001177351721 842562614 /nfs/dbraw/zinc/56/26/14/842562614.db2.gz ODSGKXCWLPTZAG-ZDUSSCGKSA-N 2 2 282.388 0.794 20 0 CCADLP O=C(C[NH+]1CCCC1)NC[C@@H]1C[N@H+](CCF)CCCO1 ZINC001150716527 842592337 /nfs/dbraw/zinc/59/23/37/842592337.db2.gz SCMNOOSWGWRGMU-CYBMUJFWSA-N 2 2 287.379 0.259 20 0 CCADLP O=C(C[NH+]1CCCC1)NC[C@@H]1C[N@@H+](CCF)CCCO1 ZINC001150716527 842592343 /nfs/dbraw/zinc/59/23/43/842592343.db2.gz SCMNOOSWGWRGMU-CYBMUJFWSA-N 2 2 287.379 0.259 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001177998075 842720784 /nfs/dbraw/zinc/72/07/84/842720784.db2.gz MVIOJHFPDUUVLQ-ZDUSSCGKSA-N 2 2 292.383 0.666 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CCCF)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001178414058 842844471 /nfs/dbraw/zinc/84/44/71/842844471.db2.gz DSSDKQQXHDJCDY-RWMBFGLXSA-N 2 2 287.379 0.256 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CCCF)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001178414058 842844477 /nfs/dbraw/zinc/84/44/77/842844477.db2.gz DSSDKQQXHDJCDY-RWMBFGLXSA-N 2 2 287.379 0.256 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC001178853293 842931261 /nfs/dbraw/zinc/93/12/61/842931261.db2.gz QCZURCLUXGQAAM-OBJOEFQTSA-N 2 2 294.399 0.956 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC001178853293 842931266 /nfs/dbraw/zinc/93/12/66/842931266.db2.gz QCZURCLUXGQAAM-OBJOEFQTSA-N 2 2 294.399 0.956 20 0 CCADLP CCOCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC001178853015 842931793 /nfs/dbraw/zinc/93/17/93/842931793.db2.gz JIMOHBRAYNMHMJ-JSGCOSHPSA-N 2 2 294.399 0.958 20 0 CCADLP CCOCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC001178853015 842931796 /nfs/dbraw/zinc/93/17/96/842931796.db2.gz JIMOHBRAYNMHMJ-JSGCOSHPSA-N 2 2 294.399 0.958 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCCCCC[NH2+]C[C@@H](C)O ZINC001180159047 843114088 /nfs/dbraw/zinc/11/40/88/843114088.db2.gz VZTNJWTZINKNLT-GFCCVEGCSA-N 2 2 296.415 0.908 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@H]1C ZINC001180275553 843125104 /nfs/dbraw/zinc/12/51/04/843125104.db2.gz CNVULQWDKCDWMN-IHRRRGAJSA-N 2 2 294.399 0.623 20 0 CCADLP C[C@@H]([NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001180469678 843187103 /nfs/dbraw/zinc/18/71/03/843187103.db2.gz CMXICXOEGAKDPJ-GFCCVEGCSA-N 2 2 295.387 0.023 20 0 CCADLP C[NH+](C)CCC(C)(C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001180763807 843295425 /nfs/dbraw/zinc/29/54/25/843295425.db2.gz MOKYYTBJEAZNPW-LLVKDONJSA-N 2 2 257.378 0.164 20 0 CCADLP C[NH+](C)CCC(C)(C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001180763807 843295432 /nfs/dbraw/zinc/29/54/32/843295432.db2.gz MOKYYTBJEAZNPW-LLVKDONJSA-N 2 2 257.378 0.164 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCCc3ccc(C[NH3+])nc32)C1 ZINC001180763965 843296008 /nfs/dbraw/zinc/29/60/08/843296008.db2.gz RGIJSOKNZFWZHU-CYBMUJFWSA-N 2 2 290.367 0.150 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2CCCc3ccc(C[NH3+])nc32)C1 ZINC001180763965 843296018 /nfs/dbraw/zinc/29/60/18/843296018.db2.gz RGIJSOKNZFWZHU-CYBMUJFWSA-N 2 2 290.367 0.150 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2cnc3cccnc3c2)C[C@H]1O ZINC001206468193 843640646 /nfs/dbraw/zinc/64/06/46/843640646.db2.gz GLOUUGRYFHZDAB-SMDDNHRTSA-N 2 2 258.325 0.381 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2cnc3cccnc3c2)C[C@H]1O ZINC001206468193 843640649 /nfs/dbraw/zinc/64/06/49/843640649.db2.gz GLOUUGRYFHZDAB-SMDDNHRTSA-N 2 2 258.325 0.381 20 0 CCADLP Cc1c[nH]c(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)[nH+]1 ZINC001182016340 843693910 /nfs/dbraw/zinc/69/39/10/843693910.db2.gz FMXLEVGMBWKQFP-LBPRGKRZSA-N 2 2 262.357 0.719 20 0 CCADLP COCCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001187420702 844723522 /nfs/dbraw/zinc/72/35/22/844723522.db2.gz QZAMVSFRKAHRQY-GFCCVEGCSA-N 2 2 280.372 0.488 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001190487354 845405752 /nfs/dbraw/zinc/40/57/52/845405752.db2.gz XVHKWIYWUHBBIA-UONOGXRCSA-N 2 2 292.383 0.188 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001190487354 845405762 /nfs/dbraw/zinc/40/57/62/845405762.db2.gz XVHKWIYWUHBBIA-UONOGXRCSA-N 2 2 292.383 0.188 20 0 CCADLP COCC[N@H+](C)[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001191479858 845658180 /nfs/dbraw/zinc/65/81/80/845658180.db2.gz SCCVBTOZSOVOMD-CYBMUJFWSA-N 2 2 294.399 0.532 20 0 CCADLP COCC[N@@H+](C)[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001191479858 845658186 /nfs/dbraw/zinc/65/81/86/845658186.db2.gz SCCVBTOZSOVOMD-CYBMUJFWSA-N 2 2 294.399 0.532 20 0 CCADLP Cc1cc(C[N@@H+](C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)no1 ZINC001192143815 845798217 /nfs/dbraw/zinc/79/82/17/845798217.db2.gz PUJHHFUZFIJLOO-AWEZNQCLSA-N 2 2 294.399 0.967 20 0 CCADLP Cc1cc(C[N@H+](C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)no1 ZINC001192143815 845798225 /nfs/dbraw/zinc/79/82/25/845798225.db2.gz PUJHHFUZFIJLOO-AWEZNQCLSA-N 2 2 294.399 0.967 20 0 CCADLP C[C@@H](CC(=O)N1CC[C@H]([N@H+](C)CCCO)C1)n1cc[nH+]c1 ZINC001192578008 845878039 /nfs/dbraw/zinc/87/80/39/845878039.db2.gz LDVQARQRLONSRH-KBPBESRZSA-N 2 2 294.399 0.749 20 0 CCADLP C[C@@H](CC(=O)N1CC[C@H]([N@@H+](C)CCCO)C1)n1cc[nH+]c1 ZINC001192578008 845878044 /nfs/dbraw/zinc/87/80/44/845878044.db2.gz LDVQARQRLONSRH-KBPBESRZSA-N 2 2 294.399 0.749 20 0 CCADLP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1ccc(F)c(O)c1F ZINC001193793718 846153021 /nfs/dbraw/zinc/15/30/21/846153021.db2.gz QOWAISWVONAIRC-UHFFFAOYSA-N 2 2 286.282 0.745 20 0 CCADLP C[N@H+](CCCF)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194449662 846291477 /nfs/dbraw/zinc/29/14/77/846291477.db2.gz WPBJHVUVWSOENW-GFCCVEGCSA-N 2 2 268.336 0.775 20 0 CCADLP C[N@@H+](CCCF)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194449662 846291486 /nfs/dbraw/zinc/29/14/86/846291486.db2.gz WPBJHVUVWSOENW-GFCCVEGCSA-N 2 2 268.336 0.775 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1O ZINC001197049626 846833304 /nfs/dbraw/zinc/83/33/04/846833304.db2.gz ORDKQQQAKZSWGG-GKKDLHFNSA-N 2 2 289.807 0.242 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1O ZINC001197049626 846833314 /nfs/dbraw/zinc/83/33/14/846833314.db2.gz ORDKQQQAKZSWGG-GKKDLHFNSA-N 2 2 289.807 0.242 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](Cc2c[nH]c(=O)[nH]c2=O)C1 ZINC001205826990 847048848 /nfs/dbraw/zinc/04/88/48/847048848.db2.gz FJNLIJWZPSXLIF-SCZZXKLOSA-N 2 2 252.318 0.447 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](Cc2c[nH]c(=O)[nH]c2=O)C1 ZINC001205826990 847048857 /nfs/dbraw/zinc/04/88/57/847048857.db2.gz FJNLIJWZPSXLIF-SCZZXKLOSA-N 2 2 252.318 0.447 20 0 CCADLP COCCCC[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001198367990 847096958 /nfs/dbraw/zinc/09/69/58/847096958.db2.gz IFDUAYOZAOJMLQ-UHFFFAOYSA-N 2 2 294.399 0.844 20 0 CCADLP COCCCC[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001198367990 847096971 /nfs/dbraw/zinc/09/69/71/847096971.db2.gz IFDUAYOZAOJMLQ-UHFFFAOYSA-N 2 2 294.399 0.844 20 0 CCADLP CC[C@H](C)[N@@H+]1C[C@]2(F)CN(CC[NH+](C)C)C(=O)[C@]2(F)C1 ZINC001273922638 847846581 /nfs/dbraw/zinc/84/65/81/847846581.db2.gz NZCAOXCVZPKFOD-IACUBPJLSA-N 2 2 289.370 0.921 20 0 CCADLP CC[C@H](C)[N@H+]1C[C@]2(F)CN(CC[NH+](C)C)C(=O)[C@]2(F)C1 ZINC001273922638 847846587 /nfs/dbraw/zinc/84/65/87/847846587.db2.gz NZCAOXCVZPKFOD-IACUBPJLSA-N 2 2 289.370 0.921 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]Cc1ccccc1CO ZINC001253208451 848159075 /nfs/dbraw/zinc/15/90/75/848159075.db2.gz QPZYUWWORXLREX-OAHLLOKOSA-N 2 2 266.385 0.971 20 0 CCADLP CCCNC(=O)NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001202597556 848187324 /nfs/dbraw/zinc/18/73/24/848187324.db2.gz ODFQOJIQROJMTE-UHFFFAOYSA-N 2 2 256.394 0.722 20 0 CCADLP COCC[NH2+]C/C=C\CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001274132817 848356645 /nfs/dbraw/zinc/35/66/45/848356645.db2.gz DMELHMFNVADMTF-ZRMMWKCHSA-N 2 2 292.383 0.354 20 0 CCADLP COCCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC001274647202 848531024 /nfs/dbraw/zinc/53/10/24/848531024.db2.gz ZIPPUJXOZZTCIC-STQMWFEESA-N 2 2 294.399 0.958 20 0 CCADLP COCCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC001274647202 848531032 /nfs/dbraw/zinc/53/10/32/848531032.db2.gz ZIPPUJXOZZTCIC-STQMWFEESA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H](C[NH2+]CCC[C@@H]1CCOC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001274967525 848604240 /nfs/dbraw/zinc/60/42/40/848604240.db2.gz IHDLZUNLJFZMBS-CHWSQXEVSA-N 2 2 294.399 0.863 20 0 CCADLP CN(C)C(=O)C[NH+]1CCC2(CCN(CC[NH+](C)C)C2)CC1 ZINC001275199885 848662828 /nfs/dbraw/zinc/66/28/28/848662828.db2.gz WRYORDVNMAAEQA-UHFFFAOYSA-N 2 2 296.459 0.424 20 0 CCADLP Cc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)[nH]n1 ZINC001275211391 848665578 /nfs/dbraw/zinc/66/55/78/848665578.db2.gz RRUHBAUVJFEIMW-GASCZTMLSA-N 2 2 277.416 0.928 20 0 CCADLP Cc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)[nH]n1 ZINC001275211391 848665580 /nfs/dbraw/zinc/66/55/80/848665580.db2.gz RRUHBAUVJFEIMW-GASCZTMLSA-N 2 2 277.416 0.928 20 0 CCADLP c1cc(CN2[C@@H]3CC[C@H]2C[N@@H+](CCn2cc[nH+]c2)C3)n[nH]1 ZINC001275205544 848665791 /nfs/dbraw/zinc/66/57/91/848665791.db2.gz RPKFVOWJQMJQIM-GASCZTMLSA-N 2 2 286.383 0.955 20 0 CCADLP c1cc(CN2[C@@H]3CC[C@H]2C[N@H+](CCn2cc[nH+]c2)C3)n[nH]1 ZINC001275205544 848665795 /nfs/dbraw/zinc/66/57/95/848665795.db2.gz RPKFVOWJQMJQIM-GASCZTMLSA-N 2 2 286.383 0.955 20 0 CCADLP C[C@@H](C[NH2+]C/C=C/Cl)NC(=O)Cc1c[nH+]cn1C ZINC001275407760 848712325 /nfs/dbraw/zinc/71/23/25/848712325.db2.gz UFNYCPZYJJAWAM-FSIBCCDJSA-N 2 2 270.764 0.809 20 0 CCADLP Cc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)nn1C ZINC001275660442 848785781 /nfs/dbraw/zinc/78/57/81/848785781.db2.gz TUGQXPMUKHSFJR-IYBDPMFKSA-N 2 2 291.443 0.939 20 0 CCADLP Cc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)nn1C ZINC001275660442 848785785 /nfs/dbraw/zinc/78/57/85/848785785.db2.gz TUGQXPMUKHSFJR-IYBDPMFKSA-N 2 2 291.443 0.939 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCCC[C@H]1C[NH2+]CCO ZINC001275808661 848831515 /nfs/dbraw/zinc/83/15/15/848831515.db2.gz XCBHYMZLQCNTEO-RYUDHWBXSA-N 2 2 280.372 0.209 20 0 CCADLP CC[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001276232834 848967877 /nfs/dbraw/zinc/96/78/77/848967877.db2.gz QGTMMOXMOYLYNC-VXGBXAGGSA-N 2 2 264.373 0.982 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C1(C[NH3+])CCCCC1 ZINC000687718435 849138115 /nfs/dbraw/zinc/13/81/15/849138115.db2.gz VIJSWJIMIFZRRS-NSHDSACASA-N 2 2 284.404 0.814 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C1(C[NH3+])CCCCC1 ZINC000687718435 849138122 /nfs/dbraw/zinc/13/81/22/849138122.db2.gz VIJSWJIMIFZRRS-NSHDSACASA-N 2 2 284.404 0.814 20 0 CCADLP C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)n1cc[nH+]c1 ZINC001114901420 849604568 /nfs/dbraw/zinc/60/45/68/849604568.db2.gz JUBAHRCJWFBPHQ-RMRHIDDWSA-N 2 2 292.383 0.263 20 0 CCADLP C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)n1cc[nH+]c1 ZINC001114901420 849604572 /nfs/dbraw/zinc/60/45/72/849604572.db2.gz JUBAHRCJWFBPHQ-RMRHIDDWSA-N 2 2 292.383 0.263 20 0 CCADLP CC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CCO ZINC001037937333 849609497 /nfs/dbraw/zinc/60/94/97/849609497.db2.gz ZFQGJDXLUJGUTK-YPMHNXCESA-N 2 2 280.372 0.161 20 0 CCADLP O=C1CC[C@@H](C[NH+]2CCC([NH+]3CCCC3)CC2)N1 ZINC001202796882 849789188 /nfs/dbraw/zinc/78/91/88/849789188.db2.gz NQTNCISNZYKEER-LBPRGKRZSA-N 2 2 251.374 0.825 20 0 CCADLP O=C(NC[C@@H]1CC[N@H+]1CCCO)[C@@H]1CCn2c[nH+]cc2C1 ZINC001038409987 849882287 /nfs/dbraw/zinc/88/22/87/849882287.db2.gz BVSLTRWVRJSHFR-OLZOCXBDSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(NC[C@@H]1CC[N@@H+]1CCCO)[C@@H]1CCn2c[nH+]cc2C1 ZINC001038409987 849882294 /nfs/dbraw/zinc/88/22/94/849882294.db2.gz BVSLTRWVRJSHFR-OLZOCXBDSA-N 2 2 292.383 0.018 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2Cc2cccnc2)C1 ZINC001039008139 850118859 /nfs/dbraw/zinc/11/88/59/850118859.db2.gz URAQOPROWLGTIN-CABCVRRESA-N 2 2 288.395 0.724 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+]2Cc2cccnc2)C1 ZINC001039008139 850118863 /nfs/dbraw/zinc/11/88/63/850118863.db2.gz URAQOPROWLGTIN-CABCVRRESA-N 2 2 288.395 0.724 20 0 CCADLP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccnc2)C1 ZINC001039008139 850118875 /nfs/dbraw/zinc/11/88/75/850118875.db2.gz URAQOPROWLGTIN-CABCVRRESA-N 2 2 288.395 0.724 20 0 CCADLP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2cccnc2)C1 ZINC001039008139 850118885 /nfs/dbraw/zinc/11/88/85/850118885.db2.gz URAQOPROWLGTIN-CABCVRRESA-N 2 2 288.395 0.724 20 0 CCADLP CC(C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001039350991 850177669 /nfs/dbraw/zinc/17/76/69/850177669.db2.gz SWANFJFZWMHBBD-ILXRZTDVSA-N 2 2 295.427 0.791 20 0 CCADLP CC(C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001039350991 850177675 /nfs/dbraw/zinc/17/76/75/850177675.db2.gz SWANFJFZWMHBBD-ILXRZTDVSA-N 2 2 295.427 0.791 20 0 CCADLP CC(C)[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001039350991 850177680 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292.383 0.521 20 0 CCADLP CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)C2C[NH+](CCO)C2)C1 ZINC001042900338 850776775 /nfs/dbraw/zinc/77/67/75/850776775.db2.gz QNTYKYDSYPMRKN-CYBMUJFWSA-N 2 2 283.416 0.099 20 0 CCADLP CC(C)C[N@H+]1CC[C@@H](C(=O)N(C)C2C[NH+](CCO)C2)C1 ZINC001042900338 850776779 /nfs/dbraw/zinc/77/67/79/850776779.db2.gz QNTYKYDSYPMRKN-CYBMUJFWSA-N 2 2 283.416 0.099 20 0 CCADLP CCCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001044320976 851074432 /nfs/dbraw/zinc/07/44/32/851074432.db2.gz SBLOFSLAVLXLQR-CQSZACIVSA-N 2 2 283.416 0.650 20 0 CCADLP CCCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001044320976 851074438 /nfs/dbraw/zinc/07/44/38/851074438.db2.gz SBLOFSLAVLXLQR-CQSZACIVSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCO)CCN1C(=O)CCn1cc[nH+]c1 ZINC001044694567 851143577 /nfs/dbraw/zinc/14/35/77/851143577.db2.gz RBAVPWUWQGEQIS-QWHCGFSZSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCF)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001044805236 851161387 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CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001048017620 851882196 /nfs/dbraw/zinc/88/21/96/851882196.db2.gz CFYJCUFTALHPJO-QWRGUYRKSA-N 2 2 250.346 0.799 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO ZINC001096349983 851946835 /nfs/dbraw/zinc/94/68/35/851946835.db2.gz PFZVKMUAAVBPOG-XBFCOCLRSA-N 2 2 292.383 0.067 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO ZINC001096349983 851946838 /nfs/dbraw/zinc/94/68/38/851946838.db2.gz PFZVKMUAAVBPOG-XBFCOCLRSA-N 2 2 292.383 0.067 20 0 CCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCF)C12CC[NH+](CC1)C2 ZINC001096356868 851953799 /nfs/dbraw/zinc/95/37/99/851953799.db2.gz YEQPPNUDNVAHHO-AGIUHOORSA-N 2 2 281.375 0.773 20 0 CCADLP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCF)C12CC[NH+](CC1)C2 ZINC001096356868 851953804 /nfs/dbraw/zinc/95/38/04/851953804.db2.gz YEQPPNUDNVAHHO-AGIUHOORSA-N 2 2 281.375 0.773 20 0 CCADLP C[C@H](CC(=O)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1)n1cc[nH+]c1 ZINC001049089438 852161386 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CC(C)[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCO1 ZINC001051861734 853652207 /nfs/dbraw/zinc/65/22/07/853652207.db2.gz MWAINPMNXJNPOQ-GXTWGEPZSA-N 2 2 294.399 0.814 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N[C@H]1C[NH+](C2CC2)C[C@H]1C ZINC001137396004 853782967 /nfs/dbraw/zinc/78/29/67/853782967.db2.gz OEMGANCHQUINKP-KGYLQXTDSA-N 2 2 251.374 0.680 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N[C@H]1C[NH+](C2CC2)C[C@H]1C ZINC001137396004 853782970 /nfs/dbraw/zinc/78/29/70/853782970.db2.gz OEMGANCHQUINKP-KGYLQXTDSA-N 2 2 251.374 0.680 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC001137396004 853782976 /nfs/dbraw/zinc/78/29/76/853782976.db2.gz OEMGANCHQUINKP-KGYLQXTDSA-N 2 2 251.374 0.680 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC001137396004 853782980 /nfs/dbraw/zinc/78/29/80/853782980.db2.gz OEMGANCHQUINKP-KGYLQXTDSA-N 2 2 251.374 0.680 20 0 CCADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(=O)NCC1CC1 ZINC000393191951 854110511 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Cn1c[nH+]cc1CC(=O)N1CC2(C1)CC[N@H+](CCF)C2 ZINC001073128020 854533241 /nfs/dbraw/zinc/53/32/41/854533241.db2.gz OLHHWGPZIYAERS-UHFFFAOYSA-N 2 2 280.347 0.466 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC2(C1)CC[N@@H+](CCF)C2 ZINC001073128020 854533246 /nfs/dbraw/zinc/53/32/46/854533246.db2.gz OLHHWGPZIYAERS-UHFFFAOYSA-N 2 2 280.347 0.466 20 0 CCADLP CC[N@@H+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001073128060 854533446 /nfs/dbraw/zinc/53/34/46/854533446.db2.gz QABIPZCZUAEIPS-UHFFFAOYSA-N 2 2 262.357 0.517 20 0 CCADLP CC[N@H+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001073128060 854533448 /nfs/dbraw/zinc/53/34/48/854533448.db2.gz QABIPZCZUAEIPS-UHFFFAOYSA-N 2 2 262.357 0.517 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@@H+](CCCO)C2 ZINC001099184534 854920561 /nfs/dbraw/zinc/92/05/61/854920561.db2.gz TWXMENHNAVSSJZ-ZFWWWQNUSA-N 2 2 292.383 0.236 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@H+](CCCO)C2 ZINC001099184534 854920563 /nfs/dbraw/zinc/92/05/63/854920563.db2.gz TWXMENHNAVSSJZ-ZFWWWQNUSA-N 2 2 292.383 0.236 20 0 CCADLP CC(C)C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001099872318 855012739 /nfs/dbraw/zinc/01/27/39/855012739.db2.gz SGCMQHWBPAFFNG-UONOGXRCSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)C[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001099872318 855012744 /nfs/dbraw/zinc/01/27/44/855012744.db2.gz SGCMQHWBPAFFNG-UONOGXRCSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](O)C1 ZINC001099872318 855012750 /nfs/dbraw/zinc/01/27/50/855012750.db2.gz SGCMQHWBPAFFNG-UONOGXRCSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)C[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](O)C1 ZINC001099872318 855012756 /nfs/dbraw/zinc/01/27/56/855012756.db2.gz SGCMQHWBPAFFNG-UONOGXRCSA-N 2 2 294.399 0.550 20 0 CCADLP COC[C@H](C)[NH2+]C1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001100710252 855213255 /nfs/dbraw/zinc/21/32/55/855213255.db2.gz JSYJWEVNYXFZKY-UNXYVOJBSA-N 2 2 280.372 0.472 20 0 CCADLP C[C@@H](CC(=O)N1CCOCC1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001256320724 855241809 /nfs/dbraw/zinc/24/18/09/855241809.db2.gz VWXWGXIARPWBQX-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H](CC(=O)N1CCOCC1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001256320724 855241815 /nfs/dbraw/zinc/24/18/15/855241815.db2.gz VWXWGXIARPWBQX-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H](CC(=O)N1CCOCC1)[N@H+](C)C1CC[NH+](C)CC1 ZINC001256334539 855249667 /nfs/dbraw/zinc/24/96/67/855249667.db2.gz JFMTYXIVOXYOOH-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@@H](CC(=O)N1CCOCC1)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001256334539 855249674 /nfs/dbraw/zinc/24/96/74/855249674.db2.gz JFMTYXIVOXYOOH-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP COCC[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102615662 855450072 /nfs/dbraw/zinc/45/00/72/855450072.db2.gz LMSHCRAERVSHGQ-CHWSQXEVSA-N 2 2 280.372 0.214 20 0 CCADLP COCC[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC001102615662 855450075 /nfs/dbraw/zinc/45/00/75/855450075.db2.gz LMSHCRAERVSHGQ-CHWSQXEVSA-N 2 2 280.372 0.214 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CC2(C(N)=O)CCOCC2)n1C ZINC001118422553 856294210 /nfs/dbraw/zinc/29/42/10/856294210.db2.gz WDTLKCIWKKNUJP-UHFFFAOYSA-N 2 2 266.345 0.100 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[C@H]1[NH3+] ZINC001118790160 856444395 /nfs/dbraw/zinc/44/43/95/856444395.db2.gz OQFNEIKSCNOESP-IJLUTSLNSA-N 2 2 262.357 0.641 20 0 CCADLP COC(=O)c1cc(C[NH2+]CCn2cc[nH+]c2)on1 ZINC001119296896 856618083 /nfs/dbraw/zinc/61/80/83/856618083.db2.gz AXKLOXVIDLPIMZ-UHFFFAOYSA-N 2 2 250.258 0.448 20 0 CCADLP CC1[NH2+]CCC1C(=O)NCC1C[NH2+]CCC1(F)F ZINC001119382319 856663027 /nfs/dbraw/zinc/66/30/27/856663027.db2.gz GLPDXUITSZWFGQ-LPEHRKFASA-N 2 2 261.316 0.345 20 0 CCADLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)C1 ZINC001120496926 857093020 /nfs/dbraw/zinc/09/30/20/857093020.db2.gz NLJGIHGTFJJYSS-VHDGCEQUSA-N 2 2 270.417 0.830 20 0 CCADLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)C1 ZINC001120496926 857093032 /nfs/dbraw/zinc/09/30/32/857093032.db2.gz NLJGIHGTFJJYSS-VHDGCEQUSA-N 2 2 270.417 0.830 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N(C)C1C[NH+](CCC[C@H](C)O)C1 ZINC001393025823 912336921 /nfs/dbraw/zinc/33/69/21/912336921.db2.gz RWNDWQCUJUEZKX-ZDUSSCGKSA-N 2 2 285.432 0.630 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N(C)C1C[NH+](CCC[C@H](C)O)C1 ZINC001393025823 912336940 /nfs/dbraw/zinc/33/69/40/912336940.db2.gz RWNDWQCUJUEZKX-ZDUSSCGKSA-N 2 2 285.432 0.630 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001393054451 912362423 /nfs/dbraw/zinc/36/24/23/912362423.db2.gz LOGHHLPPRMZCQU-NWDGAFQWSA-N 2 2 280.372 0.568 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCCO)CCN1C(=O)Cn1cc[nH+]c1 ZINC001324099584 912666153 /nfs/dbraw/zinc/66/61/53/912666153.db2.gz APCMDNLNVRCBBC-OLZOCXBDSA-N 2 2 280.372 0.235 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)C1(C[NH+](C)C)CC1)CCO2 ZINC001393647883 912699705 /nfs/dbraw/zinc/69/97/05/912699705.db2.gz BBHMVXFPJOHLHS-UHFFFAOYSA-N 2 2 295.427 0.651 20 0 CCADLP CC1(C)C[N@H+](CCO)CC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001393761652 912744463 /nfs/dbraw/zinc/74/44/63/912744463.db2.gz WXTNSGGDSYHXIC-CYBMUJFWSA-N 2 2 294.399 0.482 20 0 CCADLP CC1(C)C[N@@H+](CCO)CC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001393761652 912744475 /nfs/dbraw/zinc/74/44/75/912744475.db2.gz WXTNSGGDSYHXIC-CYBMUJFWSA-N 2 2 294.399 0.482 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)CC[N@@H+]1CCO ZINC001393788552 912756325 /nfs/dbraw/zinc/75/63/25/912756325.db2.gz PALWLNSWGJKTII-OLZOCXBDSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)CC[N@H+]1CCO ZINC001393788552 912756335 /nfs/dbraw/zinc/75/63/35/912756335.db2.gz PALWLNSWGJKTII-OLZOCXBDSA-N 2 2 294.399 0.314 20 0 CCADLP CCOCCC[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001324286353 912757785 /nfs/dbraw/zinc/75/77/85/912757785.db2.gz PVAHSWSFNHMJSH-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP Cc1ncoc1C[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001394003523 912914001 /nfs/dbraw/zinc/91/40/01/912914001.db2.gz PPJXACDKCNYGKE-GHMZBOCLSA-N 2 2 291.355 0.863 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CC(=O)NC ZINC001394067252 912965734 /nfs/dbraw/zinc/96/57/34/912965734.db2.gz ORZVIZZQPLXFOT-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CC(=O)NC ZINC001394067252 912965745 /nfs/dbraw/zinc/96/57/45/912965745.db2.gz ORZVIZZQPLXFOT-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)CC(=O)NC ZINC001394067252 912965756 /nfs/dbraw/zinc/96/57/56/912965756.db2.gz ORZVIZZQPLXFOT-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC ZINC001394067252 912965761 /nfs/dbraw/zinc/96/57/61/912965761.db2.gz ORZVIZZQPLXFOT-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)C[C@@H]1CCCCO1 ZINC001394140507 913038689 /nfs/dbraw/zinc/03/86/89/913038689.db2.gz BVNRWQZTIGAZCU-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)C[C@@H]1CCCCO1 ZINC001394140507 913038712 /nfs/dbraw/zinc/03/87/12/913038712.db2.gz BVNRWQZTIGAZCU-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]CC[C@H]1CCCO1 ZINC001394538054 913244122 /nfs/dbraw/zinc/24/41/22/913244122.db2.gz ZESLVWJWAGSSSS-GXTWGEPZSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]CC[C@@H]1CCCO1 ZINC001394538059 913244314 /nfs/dbraw/zinc/24/43/14/913244314.db2.gz ZESLVWJWAGSSSS-JSGCOSHPSA-N 2 2 294.399 0.958 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](CO)[NH2+]Cc1ccsc1 ZINC001394651628 913338905 /nfs/dbraw/zinc/33/89/05/913338905.db2.gz ZCIUMIIICMETIY-NSHDSACASA-N 2 2 294.380 0.281 20 0 CCADLP COC[C@H](C)[NH2+]C1CC(N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001394854326 913470434 /nfs/dbraw/zinc/47/04/34/913470434.db2.gz VYKUIKPZLJSUBK-HSBZDZAISA-N 2 2 294.399 0.887 20 0 CCADLP CO[C@@H](C)C[N@H+](C)CCNC(=O)CCc1c[nH+]cn1C ZINC001492836099 913558091 /nfs/dbraw/zinc/55/80/91/913558091.db2.gz WJGBOTWOIPVHMS-LBPRGKRZSA-N 2 2 282.388 0.436 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)CCNC(=O)CCc1c[nH+]cn1C ZINC001492836099 913558097 /nfs/dbraw/zinc/55/80/97/913558097.db2.gz WJGBOTWOIPVHMS-LBPRGKRZSA-N 2 2 282.388 0.436 20 0 CCADLP CC[N@H+](CCCO)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001480983818 892015025 /nfs/dbraw/zinc/01/50/25/892015025.db2.gz NNLVUJDDSQRKIV-ZDUSSCGKSA-N 2 2 294.399 0.266 20 0 CCADLP CC[N@@H+](CCCO)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001480983818 892015042 /nfs/dbraw/zinc/01/50/42/892015042.db2.gz NNLVUJDDSQRKIV-ZDUSSCGKSA-N 2 2 294.399 0.266 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CC[N@H+](CCF)C1 ZINC001481122076 892196374 /nfs/dbraw/zinc/19/63/74/892196374.db2.gz JELFDJDCMLZZSX-LBPRGKRZSA-N 2 2 282.363 0.760 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CC[N@@H+](CCF)C1 ZINC001481122076 892196389 /nfs/dbraw/zinc/19/63/89/892196389.db2.gz JELFDJDCMLZZSX-LBPRGKRZSA-N 2 2 282.363 0.760 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+][C@H](C)c1csnn1 ZINC001481319773 892575441 /nfs/dbraw/zinc/57/54/41/892575441.db2.gz NIMVKKAWPDNSRG-LLVKDONJSA-N 2 2 299.444 0.987 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH2+][C@H](C)c1csnn1 ZINC001481319773 892575456 /nfs/dbraw/zinc/57/54/56/892575456.db2.gz NIMVKKAWPDNSRG-LLVKDONJSA-N 2 2 299.444 0.987 20 0 CCADLP CCCCC[NH+]1CC(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001481601838 892884099 /nfs/dbraw/zinc/88/40/99/892884099.db2.gz KWNYOIQPJGFPEU-CQSZACIVSA-N 2 2 297.443 0.945 20 0 CCADLP C[C@H](CC(=O)N[C@H]1CC[N@H+](CCO)C1)n1cc[nH+]c1 ZINC001481693953 893024798 /nfs/dbraw/zinc/02/47/98/893024798.db2.gz BRFCPGOBBOPLEG-NEPJUHHUSA-N 2 2 266.345 0.017 20 0 CCADLP C[C@H](CC(=O)N[C@H]1CC[N@@H+](CCO)C1)n1cc[nH+]c1 ZINC001481693953 893024816 /nfs/dbraw/zinc/02/48/16/893024816.db2.gz BRFCPGOBBOPLEG-NEPJUHHUSA-N 2 2 266.345 0.017 20 0 CCADLP CCN(C(=O)CCc1[nH+]ccn1C)[C@H]1CC[N@H+](CCO)C1 ZINC001481771499 893135240 /nfs/dbraw/zinc/13/52/40/893135240.db2.gz NWHBTSFZYCJFBP-ZDUSSCGKSA-N 2 2 294.399 0.268 20 0 CCADLP CCN(C(=O)CCc1[nH+]ccn1C)[C@H]1CC[N@@H+](CCO)C1 ZINC001481771499 893135252 /nfs/dbraw/zinc/13/52/52/893135252.db2.gz NWHBTSFZYCJFBP-ZDUSSCGKSA-N 2 2 294.399 0.268 20 0 CCADLP CCN(C(=O)C[C@H](C)n1cc[nH+]c1)[C@@H]1CC[N@H+](CCO)C1 ZINC001481775748 893138251 /nfs/dbraw/zinc/13/82/51/893138251.db2.gz PJCRZSOQZHDWCC-UONOGXRCSA-N 2 2 294.399 0.749 20 0 CCADLP CCN(C(=O)C[C@H](C)n1cc[nH+]c1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001481775748 893138259 /nfs/dbraw/zinc/13/82/59/893138259.db2.gz PJCRZSOQZHDWCC-UONOGXRCSA-N 2 2 294.399 0.749 20 0 CCADLP Cc1nocc1C[NH2+]C[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001482145695 893436929 /nfs/dbraw/zinc/43/69/29/893436929.db2.gz SYLKGEKTSMEJDB-SNVBAGLBSA-N 2 2 291.355 0.791 20 0 CCADLP CCOCC[NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001482348803 893903307 /nfs/dbraw/zinc/90/33/07/893903307.db2.gz RMYHUSUNULHZGS-LLVKDONJSA-N 2 2 268.361 0.425 20 0 CCADLP Cc1cc(C[N@@H+](C)CCN(C)C(=O)CC[NH+](C)C)nn1C ZINC001496777351 894565817 /nfs/dbraw/zinc/56/58/17/894565817.db2.gz OJOWVPVRHJGAOU-UHFFFAOYSA-N 2 2 295.431 0.570 20 0 CCADLP Cc1cc(C[N@H+](C)CCN(C)C(=O)CC[NH+](C)C)nn1C ZINC001496777351 894565829 /nfs/dbraw/zinc/56/58/29/894565829.db2.gz OJOWVPVRHJGAOU-UHFFFAOYSA-N 2 2 295.431 0.570 20 0 CCADLP C[C@@H](CC[NH2+]Cc1cnns1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001482885043 894664025 /nfs/dbraw/zinc/66/40/25/894664025.db2.gz LOPWZXXQUJSJKY-VIFPVBQESA-N 2 2 294.384 0.488 20 0 CCADLP CCN(CC[NH2+]Cc1ccon1)C(=O)Cn1c[nH+]cc1C ZINC001482937205 894710536 /nfs/dbraw/zinc/71/05/36/894710536.db2.gz FHGWPUUGKFMHDS-UHFFFAOYSA-N 2 2 291.355 0.818 20 0 CCADLP CC[NH2+]CCN(CC)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001482951369 894729893 /nfs/dbraw/zinc/72/98/93/894729893.db2.gz JLPQRNXJIOWKKN-VXGBXAGGSA-N 2 2 264.373 0.982 20 0 CCADLP CCCCC[NH+]1CC(CCO)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001506085880 894731444 /nfs/dbraw/zinc/73/14/44/894731444.db2.gz LPMYQOMHUQTNQO-CQSZACIVSA-N 2 2 297.443 0.824 20 0 CCADLP CCCCC[NH+]1CC(CCO)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001506085880 894731455 /nfs/dbraw/zinc/73/14/55/894731455.db2.gz LPMYQOMHUQTNQO-CQSZACIVSA-N 2 2 297.443 0.824 20 0 CCADLP CCN(CC[NH2+]Cc1ocnc1C)C(=O)Cn1cc[nH+]c1 ZINC001482972241 894736382 /nfs/dbraw/zinc/73/63/82/894736382.db2.gz VQLVQXJVEJRUKH-UHFFFAOYSA-N 2 2 291.355 0.818 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC/C=C/C[NH2+]CC[C@@H]1CCCO1 ZINC001483065048 894869733 /nfs/dbraw/zinc/86/97/33/894869733.db2.gz OZCOAEUMGQNIDQ-YUKKFKLSSA-N 2 2 292.383 0.783 20 0 CCADLP CC(C)[C@@H](C(=O)NC/C=C/C[NH2+]Cc1cnon1)[NH+](C)C ZINC001483086645 894888710 /nfs/dbraw/zinc/88/87/10/894888710.db2.gz LHGVNDXNIQRNRF-GFUIURDCSA-N 2 2 295.387 0.418 20 0 CCADLP CO[C@@H](C)C[NH2+]CC1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001409270591 894905090 /nfs/dbraw/zinc/90/50/90/894905090.db2.gz FGXTYWMGVYWFJZ-HIFPTAJRSA-N 2 2 294.399 0.482 20 0 CCADLP C[C@H](C[NH2+]CCCO)NC(=O)c1cccc2[nH+]ccn21 ZINC001483149289 895029304 /nfs/dbraw/zinc/02/93/04/895029304.db2.gz MSKMUHLXNWPTNM-LLVKDONJSA-N 2 2 276.340 0.425 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[NH2+]C[C@H]1CCCCO1 ZINC001483188557 895072485 /nfs/dbraw/zinc/07/24/85/895072485.db2.gz MTGBHAMGFPOMMY-DGCLKSJQSA-N 2 2 294.399 0.924 20 0 CCADLP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)Cc1ccn(C)n1 ZINC001425015853 895143645 /nfs/dbraw/zinc/14/36/45/895143645.db2.gz RIYRGYYFTGQYAP-LBPRGKRZSA-N 2 2 281.404 0.308 20 0 CCADLP C[C@@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)Cc1ccn(C)n1 ZINC001425015853 895143647 /nfs/dbraw/zinc/14/36/47/895143647.db2.gz RIYRGYYFTGQYAP-LBPRGKRZSA-N 2 2 281.404 0.308 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1csnn1 ZINC001409450694 895187057 /nfs/dbraw/zinc/18/70/57/895187057.db2.gz VWBHYIGJBRXKOU-GHMZBOCLSA-N 2 2 299.444 0.863 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1csnn1 ZINC001409450694 895187066 /nfs/dbraw/zinc/18/70/66/895187066.db2.gz VWBHYIGJBRXKOU-GHMZBOCLSA-N 2 2 299.444 0.863 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH+](C)Cc1cncn1C ZINC001409520047 895226825 /nfs/dbraw/zinc/22/68/25/895226825.db2.gz RJRAJIJQJISEMY-GXTWGEPZSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH+](C)Cc1cncn1C ZINC001409520047 895226837 /nfs/dbraw/zinc/22/68/37/895226837.db2.gz RJRAJIJQJISEMY-GXTWGEPZSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@H+](C)Cc1cncn1C ZINC001409520047 895226851 /nfs/dbraw/zinc/22/68/51/895226851.db2.gz RJRAJIJQJISEMY-GXTWGEPZSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C)[N@@H+](C)Cc1cncn1C ZINC001409520047 895226865 /nfs/dbraw/zinc/22/68/65/895226865.db2.gz RJRAJIJQJISEMY-GXTWGEPZSA-N 2 2 293.415 0.451 20 0 CCADLP CC[NH2+]C1(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001483746882 895978456 /nfs/dbraw/zinc/97/84/56/895978456.db2.gz CFVWSZTUSCECQE-NSHDSACASA-N 2 2 262.357 0.704 20 0 CCADLP CCOCC[NH+]1CC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001483863628 896088817 /nfs/dbraw/zinc/08/88/17/896088817.db2.gz BNGKGFAWQKUXKH-HNNXBMFYSA-N 2 2 295.427 0.507 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001483903685 896106421 /nfs/dbraw/zinc/10/64/21/896106421.db2.gz AEYLJQSRQQDKRL-CHWSQXEVSA-N 2 2 294.399 0.958 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H](C)C1 ZINC001483903685 896106430 /nfs/dbraw/zinc/10/64/30/896106430.db2.gz AEYLJQSRQQDKRL-CHWSQXEVSA-N 2 2 294.399 0.958 20 0 CCADLP CC(C)=CC[NH+]1CC(O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001484306386 896328330 /nfs/dbraw/zinc/32/83/30/896328330.db2.gz JSOOTFGFFWVESO-AWEZNQCLSA-N 2 2 297.443 0.702 20 0 CCADLP CN(CCC[N@H+](C)Cc1cnon1)C(=O)C[NH+]1CCCC1 ZINC001484768264 896600633 /nfs/dbraw/zinc/60/06/33/896600633.db2.gz JPGJPEWRBSQGCM-UHFFFAOYSA-N 2 2 295.387 0.446 20 0 CCADLP CN(CCC[N@@H+](C)Cc1cnon1)C(=O)C[NH+]1CCCC1 ZINC001484768264 896600636 /nfs/dbraw/zinc/60/06/36/896600636.db2.gz JPGJPEWRBSQGCM-UHFFFAOYSA-N 2 2 295.387 0.446 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1C[N@H+](C)CCO ZINC001485071497 896757657 /nfs/dbraw/zinc/75/76/57/896757657.db2.gz QRVLMPUUUZYQEI-GXTWGEPZSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1C[N@@H+](C)CCO ZINC001485071497 896757662 /nfs/dbraw/zinc/75/76/62/896757662.db2.gz QRVLMPUUUZYQEI-GXTWGEPZSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C[N@H+](C)CCO ZINC001485071497 896757668 /nfs/dbraw/zinc/75/76/68/896757668.db2.gz QRVLMPUUUZYQEI-GXTWGEPZSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C[N@@H+](C)CCO ZINC001485071497 896757671 /nfs/dbraw/zinc/75/76/71/896757671.db2.gz QRVLMPUUUZYQEI-GXTWGEPZSA-N 2 2 294.399 0.503 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cnsn1 ZINC001485215022 896855377 /nfs/dbraw/zinc/85/53/77/896855377.db2.gz ISEXGWZPAQPNJE-WDEREUQCSA-N 2 2 299.444 0.863 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cnsn1 ZINC001485215022 896855388 /nfs/dbraw/zinc/85/53/88/896855388.db2.gz ISEXGWZPAQPNJE-WDEREUQCSA-N 2 2 299.444 0.863 20 0 CCADLP CC[N@@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1csnn1 ZINC001485206169 896862870 /nfs/dbraw/zinc/86/28/70/896862870.db2.gz HPDIVYYREDQRKC-WDEREUQCSA-N 2 2 299.444 0.863 20 0 CCADLP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1csnn1 ZINC001485206169 896862859 /nfs/dbraw/zinc/86/28/59/896862859.db2.gz HPDIVYYREDQRKC-WDEREUQCSA-N 2 2 299.444 0.863 20 0 CCADLP COCC[NH2+]C[C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001485692975 897190866 /nfs/dbraw/zinc/19/08/66/897190866.db2.gz XKTIGAVHHMCXHW-JOCQHMNTSA-N 2 2 280.372 0.404 20 0 CCADLP C[C@H](CCC[NH2+]CCF)NC(=O)Cc1[nH]cc[nH+]1 ZINC001485742282 897211778 /nfs/dbraw/zinc/21/17/78/897211778.db2.gz BOGJPUJAHUTGPK-SNVBAGLBSA-N 2 2 256.325 0.796 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC1 ZINC001032651557 897902394 /nfs/dbraw/zinc/90/23/94/897902394.db2.gz CFZGQGLWRSEVAE-STQMWFEESA-N 2 2 260.341 0.647 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CC1 ZINC001032651557 897902403 /nfs/dbraw/zinc/90/24/03/897902403.db2.gz CFZGQGLWRSEVAE-STQMWFEESA-N 2 2 260.341 0.647 20 0 CCADLP CN(C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C1C[NH+](CCCO)C1 ZINC001043070130 897961258 /nfs/dbraw/zinc/96/12/58/897961258.db2.gz KPERNFODFZQINB-UKRRQHHQSA-N 2 2 295.427 0.528 20 0 CCADLP CN(C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C1C[NH+](CCCO)C1 ZINC001043070130 897961266 /nfs/dbraw/zinc/96/12/66/897961266.db2.gz KPERNFODFZQINB-UKRRQHHQSA-N 2 2 295.427 0.528 20 0 CCADLP CO[C@@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1[nH]c[nH+]c1C ZINC001032753700 898088488 /nfs/dbraw/zinc/08/84/88/898088488.db2.gz JHAZFWLBHLOHCL-DRZSPHRISA-N 2 2 292.383 0.581 20 0 CCADLP CO[C@@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1[nH]c[nH+]c1C ZINC001032753700 898088501 /nfs/dbraw/zinc/08/85/01/898088501.db2.gz JHAZFWLBHLOHCL-DRZSPHRISA-N 2 2 292.383 0.581 20 0 CCADLP CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001272872786 898098040 /nfs/dbraw/zinc/09/80/40/898098040.db2.gz DHAZGQLIXVOQDG-NWDGAFQWSA-N 2 2 264.373 0.950 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCCO[C@H](C[NH2+]CC2CC2)C1 ZINC001078478680 898388003 /nfs/dbraw/zinc/38/80/03/898388003.db2.gz KAWOSIXSIFRTIO-CQSZACIVSA-N 2 2 292.383 0.569 20 0 CCADLP CC[NH2+]C[C@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCCO1 ZINC001078484367 898389518 /nfs/dbraw/zinc/38/95/18/898389518.db2.gz HIWCGXBMFBQJNJ-OCCSQVGLSA-N 2 2 294.399 0.815 20 0 CCADLP CC[NH2+]C[C@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCCO1 ZINC001078484367 898389528 /nfs/dbraw/zinc/38/95/28/898389528.db2.gz HIWCGXBMFBQJNJ-OCCSQVGLSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]CC1CC1 ZINC001485937439 898523924 /nfs/dbraw/zinc/52/39/24/898523924.db2.gz FVCDTNFUPWAMFJ-JTQLQIEISA-N 2 2 250.346 0.799 20 0 CCADLP CO[C@H](C)C[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001485944427 898531523 /nfs/dbraw/zinc/53/15/23/898531523.db2.gz DPZDOINMOMSCLV-VXGBXAGGSA-N 2 2 282.388 0.434 20 0 CCADLP C[C@@H](C(=O)NCCC1CC[NH2+]CC1)n1cc[nH+]c1 ZINC001326905669 914262753 /nfs/dbraw/zinc/26/27/53/914262753.db2.gz GFPJITCXWNHGEO-NSHDSACASA-N 2 2 250.346 0.950 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C(C)(C)C ZINC001486422690 898858701 /nfs/dbraw/zinc/85/87/01/898858701.db2.gz LYDZRMJFYVZYFR-RYUDHWBXSA-N 2 2 282.388 0.384 20 0 CCADLP CN(CC[NH2+]Cc1nncs1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001493601405 898957482 /nfs/dbraw/zinc/95/74/82/898957482.db2.gz ZXGAELLDEZPKPM-NSHDSACASA-N 2 2 297.428 0.570 20 0 CCADLP CN(CC[NH2+]Cc1nncs1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001493601405 898957492 /nfs/dbraw/zinc/95/74/92/898957492.db2.gz ZXGAELLDEZPKPM-NSHDSACASA-N 2 2 297.428 0.570 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001397661175 914320423 /nfs/dbraw/zinc/32/04/23/914320423.db2.gz WRARMLFHXKAFJS-YRGRVCCFSA-N 2 2 294.399 0.862 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001397661175 914320435 /nfs/dbraw/zinc/32/04/35/914320435.db2.gz WRARMLFHXKAFJS-YRGRVCCFSA-N 2 2 294.399 0.862 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[C@@H]([NH2+]CCF)C1 ZINC001488958563 900419687 /nfs/dbraw/zinc/41/96/87/900419687.db2.gz DUTVLBKCODKPGZ-WDEREUQCSA-N 2 2 268.336 0.796 20 0 CCADLP C[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)Cc1cccnc1 ZINC001490254854 900581626 /nfs/dbraw/zinc/58/16/26/900581626.db2.gz CSUBARPDALNFMD-UHFFFAOYSA-N 2 2 287.367 0.986 20 0 CCADLP C[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)Cc1cccnc1 ZINC001490254854 900581631 /nfs/dbraw/zinc/58/16/31/900581631.db2.gz CSUBARPDALNFMD-UHFFFAOYSA-N 2 2 287.367 0.986 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]C1(C(N)=O)CCCC1 ZINC001253206194 900816419 /nfs/dbraw/zinc/81/64/19/900816419.db2.gz KZFMLUOPRVPKSX-LLVKDONJSA-N 2 2 257.378 0.077 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC001411772149 901244307 /nfs/dbraw/zinc/24/43/07/901244307.db2.gz GSLXZCXOLPOFAB-LSDHHAIUSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H](C(=O)NCC[NH+]2CCOC[C@@H]2C)C1 ZINC001411772149 901244323 /nfs/dbraw/zinc/24/43/23/901244323.db2.gz GSLXZCXOLPOFAB-LSDHHAIUSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[NH+]1CCC[C@@H](C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001411772149 901244339 /nfs/dbraw/zinc/24/43/39/901244339.db2.gz GSLXZCXOLPOFAB-LSDHHAIUSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[NH+]1CCC[C@@H](C(=O)NCC[N@H+]2CCOC[C@@H]2C)C1 ZINC001411772149 901244356 /nfs/dbraw/zinc/24/43/56/901244356.db2.gz GSLXZCXOLPOFAB-LSDHHAIUSA-N 2 2 297.443 0.944 20 0 CCADLP C[NH+](C)CCN1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001412383201 901678334 /nfs/dbraw/zinc/67/83/34/901678334.db2.gz KYEXIOPGVFKICS-UHFFFAOYSA-N 2 2 279.388 0.048 20 0 CCADLP CCc1[nH+]ccn1CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001412598802 901856779 /nfs/dbraw/zinc/85/67/79/901856779.db2.gz QMLUZMJZWRUZKW-LBPRGKRZSA-N 2 2 280.372 0.282 20 0 CCADLP CCc1[nH+]ccn1CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001412598802 901856790 /nfs/dbraw/zinc/85/67/90/901856790.db2.gz QMLUZMJZWRUZKW-LBPRGKRZSA-N 2 2 280.372 0.282 20 0 CCADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001412693023 901953869 /nfs/dbraw/zinc/95/38/69/901953869.db2.gz JUHBMTKQGZOFHL-NWDGAFQWSA-N 2 2 290.367 0.035 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1C[C@@]2(CO)CCCC[C@@]2(CO)C1 ZINC001413072505 902674401 /nfs/dbraw/zinc/67/44/01/902674401.db2.gz DTPPJZFBVABDPG-IYBDPMFKSA-N 2 2 293.411 0.810 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@@]2(CO)CCCC[C@@]2(CO)C1 ZINC001413072505 902674405 /nfs/dbraw/zinc/67/44/05/902674405.db2.gz DTPPJZFBVABDPG-IYBDPMFKSA-N 2 2 293.411 0.810 20 0 CCADLP C[N@@H+]1C[C@H](NS(=O)(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001413476157 902981942 /nfs/dbraw/zinc/98/19/42/902981942.db2.gz DKVZJDWFUJYBML-NSHDSACASA-N 2 2 286.401 0.143 20 0 CCADLP C[N@H+]1C[C@H](NS(=O)(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001413476157 902981949 /nfs/dbraw/zinc/98/19/49/902981949.db2.gz DKVZJDWFUJYBML-NSHDSACASA-N 2 2 286.401 0.143 20 0 CCADLP C[C@@H](F)CC[NH2+]C[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001495812933 903066411 /nfs/dbraw/zinc/06/64/11/903066411.db2.gz JGHZHRLEWQGGEF-NWDGAFQWSA-N 2 2 270.352 0.973 20 0 CCADLP O=C(N[C@H]1C[C@H]([NH2+]CCCO)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001490905911 903203326 /nfs/dbraw/zinc/20/33/26/903203326.db2.gz YQYMRTUHIUNAEP-AVGNSLFASA-N 2 2 292.383 0.065 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+](CCO)C1 ZINC001491114712 903376870 /nfs/dbraw/zinc/37/68/70/903376870.db2.gz SRSYVRFHMLQHIV-ZDUSSCGKSA-N 2 2 280.372 0.094 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCC[N@H+](CCO)C1 ZINC001491114712 903376892 /nfs/dbraw/zinc/37/68/92/903376892.db2.gz SRSYVRFHMLQHIV-ZDUSSCGKSA-N 2 2 280.372 0.094 20 0 CCADLP COCC[N@@H+]1CCC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001491126937 903387715 /nfs/dbraw/zinc/38/77/15/903387715.db2.gz WOAMCKSIIGWDKZ-LBPRGKRZSA-N 2 2 280.372 0.427 20 0 CCADLP COCC[N@H+]1CCC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001491126937 903387727 /nfs/dbraw/zinc/38/77/27/903387727.db2.gz WOAMCKSIIGWDKZ-LBPRGKRZSA-N 2 2 280.372 0.427 20 0 CCADLP CNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001377227670 904705061 /nfs/dbraw/zinc/70/50/61/904705061.db2.gz KIACZYIUHSLJEQ-ZDUSSCGKSA-N 2 2 298.431 0.043 20 0 CCADLP CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001377227670 904705065 /nfs/dbraw/zinc/70/50/65/904705065.db2.gz KIACZYIUHSLJEQ-ZDUSSCGKSA-N 2 2 298.431 0.043 20 0 CCADLP CNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001377227670 904705069 /nfs/dbraw/zinc/70/50/69/904705069.db2.gz KIACZYIUHSLJEQ-ZDUSSCGKSA-N 2 2 298.431 0.043 20 0 CCADLP CNC(=O)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001377227670 904705073 /nfs/dbraw/zinc/70/50/73/904705073.db2.gz KIACZYIUHSLJEQ-ZDUSSCGKSA-N 2 2 298.431 0.043 20 0 CCADLP C[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)CC[C@H]1CCOC1 ZINC001377238120 904713434 /nfs/dbraw/zinc/71/34/34/904713434.db2.gz RKOPRYWXGODYKZ-LBPRGKRZSA-N 2 2 280.372 0.427 20 0 CCADLP C[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)CC[C@H]1CCOC1 ZINC001377238120 904713453 /nfs/dbraw/zinc/71/34/53/904713453.db2.gz RKOPRYWXGODYKZ-LBPRGKRZSA-N 2 2 280.372 0.427 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@H+](C)C[C@H]1CC[C@H](C)O1 ZINC001377249562 904719489 /nfs/dbraw/zinc/71/94/89/904719489.db2.gz SOPRMXPARRBISQ-WCQYABFASA-N 2 2 294.399 0.876 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@@H+](C)C[C@@H]1CCCCO1 ZINC001377251694 904727029 /nfs/dbraw/zinc/72/70/29/904727029.db2.gz XCZLWYDSUWPNOF-ZDUSSCGKSA-N 2 2 294.399 0.878 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@H+](C)C[C@@H]1CCCCO1 ZINC001377251694 904727034 /nfs/dbraw/zinc/72/70/34/904727034.db2.gz XCZLWYDSUWPNOF-ZDUSSCGKSA-N 2 2 294.399 0.878 20 0 CCADLP CC1([NH2+]CCO)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001377297485 904764250 /nfs/dbraw/zinc/76/42/50/904764250.db2.gz IWKSUFJLLVMXQF-UHFFFAOYSA-N 2 2 280.372 0.236 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCC[NH2+]CCO ZINC001283267904 904786655 /nfs/dbraw/zinc/78/66/55/904786655.db2.gz IEEJVTYYJYEOLL-JTQLQIEISA-N 2 2 268.361 0.127 20 0 CCADLP C[C@H](O)C[N@H+](CCNC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC001377529934 904973635 /nfs/dbraw/zinc/97/36/35/904973635.db2.gz UBGSYMKDVPVHLG-NSHDSACASA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H](O)C[N@@H+](CCNC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC001377529934 904973643 /nfs/dbraw/zinc/97/36/43/904973643.db2.gz UBGSYMKDVPVHLG-NSHDSACASA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H](O)C[N@H+](CCNC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC001377529934 904973653 /nfs/dbraw/zinc/97/36/53/904973653.db2.gz UBGSYMKDVPVHLG-NSHDSACASA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H](O)C[N@@H+](CCNC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC001377529934 904973657 /nfs/dbraw/zinc/97/36/57/904973657.db2.gz UBGSYMKDVPVHLG-NSHDSACASA-N 2 2 280.372 0.304 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@@H](C[N@H+](C)CCO)C1 ZINC001377770622 905154034 /nfs/dbraw/zinc/15/40/34/905154034.db2.gz NGIFMTUDDCLFNT-ZDUSSCGKSA-N 2 2 294.399 0.125 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@@H](C[N@@H+](C)CCO)C1 ZINC001377770622 905154038 /nfs/dbraw/zinc/15/40/38/905154038.db2.gz NGIFMTUDDCLFNT-ZDUSSCGKSA-N 2 2 294.399 0.125 20 0 CCADLP COCC[N@H+](C)CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001377793613 905160475 /nfs/dbraw/zinc/16/04/75/905160475.db2.gz XTEKTWWTAHBITR-UHFFFAOYSA-N 2 2 294.399 0.700 20 0 CCADLP COCC[N@@H+](C)CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001377793613 905160483 /nfs/dbraw/zinc/16/04/83/905160483.db2.gz XTEKTWWTAHBITR-UHFFFAOYSA-N 2 2 294.399 0.700 20 0 CCADLP CC[C@@H](C(=O)NCC1C[NH+](Cc2cc(C)no2)C1)[NH+](C)C ZINC001377997605 905313976 /nfs/dbraw/zinc/31/39/76/905313976.db2.gz UOVLGMPEJLPZJO-AWEZNQCLSA-N 2 2 294.399 0.871 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CC(N)=O ZINC001378078549 905407584 /nfs/dbraw/zinc/40/75/84/905407584.db2.gz MGLSHJRABRLZHD-CHWSQXEVSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CC(N)=O ZINC001378078549 905407586 /nfs/dbraw/zinc/40/75/86/905407586.db2.gz MGLSHJRABRLZHD-CHWSQXEVSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)CC(N)=O ZINC001378078549 905407588 /nfs/dbraw/zinc/40/75/88/905407588.db2.gz MGLSHJRABRLZHD-CHWSQXEVSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC(N)=O ZINC001378078549 905407589 /nfs/dbraw/zinc/40/75/89/905407589.db2.gz MGLSHJRABRLZHD-CHWSQXEVSA-N 2 2 298.431 0.029 20 0 CCADLP COCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001378131925 905442511 /nfs/dbraw/zinc/44/25/11/905442511.db2.gz RIVSYHKKOVOROD-JHJVBQTASA-N 2 2 294.399 0.607 20 0 CCADLP COCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001378131925 905442515 /nfs/dbraw/zinc/44/25/15/905442515.db2.gz RIVSYHKKOVOROD-JHJVBQTASA-N 2 2 294.399 0.607 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)C[NH2+]Cc1ccon1 ZINC001378623946 905716973 /nfs/dbraw/zinc/71/69/73/905716973.db2.gz NRLATSXZGGNJBF-SNVBAGLBSA-N 2 2 291.355 0.791 20 0 CCADLP CN(CC[N@H+](C)Cc1ccn(C)n1)C(=O)CCC[NH+](C)C ZINC001379090852 905987670 /nfs/dbraw/zinc/98/76/70/905987670.db2.gz VFJHZXTZASZCGA-UHFFFAOYSA-N 2 2 295.431 0.652 20 0 CCADLP CN(CC[N@@H+](C)Cc1ccn(C)n1)C(=O)CCC[NH+](C)C ZINC001379090852 905987686 /nfs/dbraw/zinc/98/76/86/905987686.db2.gz VFJHZXTZASZCGA-UHFFFAOYSA-N 2 2 295.431 0.652 20 0 CCADLP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1nnc(C)o1)[NH+](C)C ZINC001379232850 906079277 /nfs/dbraw/zinc/07/92/77/906079277.db2.gz GSQDEWFBHSNHBK-ZYHUDNBSSA-N 2 2 297.403 0.655 20 0 CCADLP Cc1cnc(C[NH2+]C[C@H](C)NC(=O)Cn2cc[nH+]c2)s1 ZINC001379604805 906377595 /nfs/dbraw/zinc/37/75/95/906377595.db2.gz IFSIFYVMHWEGLJ-JTQLQIEISA-N 2 2 293.396 0.943 20 0 CCADLP Cc1nocc1C[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001380018654 906590579 /nfs/dbraw/zinc/59/05/79/906590579.db2.gz SGDOBVTYLVMIEX-CYBMUJFWSA-N 2 2 280.372 0.625 20 0 CCADLP Cc1nocc1C[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001380018654 906590592 /nfs/dbraw/zinc/59/05/92/906590592.db2.gz SGDOBVTYLVMIEX-CYBMUJFWSA-N 2 2 280.372 0.625 20 0 CCADLP C[C@@H](O)C[NH+]1CCC([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001380135641 906648577 /nfs/dbraw/zinc/64/85/77/906648577.db2.gz XQDGKAQHYMSYHG-VXGBXAGGSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)OCC[NH+]1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001380251548 906694178 /nfs/dbraw/zinc/69/41/78/906694178.db2.gz MQWVWFMVPIFLSY-CQSZACIVSA-N 2 2 297.443 0.896 20 0 CCADLP CC(C)OCC[NH+]1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001380251548 906694184 /nfs/dbraw/zinc/69/41/84/906694184.db2.gz MQWVWFMVPIFLSY-CQSZACIVSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)CCc1[nH+]ccn1C ZINC001380280667 906714366 /nfs/dbraw/zinc/71/43/66/906714366.db2.gz QVPRDNSAOYURFU-CHWSQXEVSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@H](O)CC2(O)CCCC2)C1 ZINC001335442883 906792164 /nfs/dbraw/zinc/79/21/64/906792164.db2.gz AXDQUWRHBUTEEQ-ZIAGYGMSSA-N 2 2 270.417 0.974 20 0 CCADLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@H](O)CC2(O)CCCC2)C1 ZINC001335442883 906792174 /nfs/dbraw/zinc/79/21/74/906792174.db2.gz AXDQUWRHBUTEEQ-ZIAGYGMSSA-N 2 2 270.417 0.974 20 0 CCADLP C[C@H](O)C[NH2+]C1(CNC(=O)CCCn2cc[nH+]c2)CCC1 ZINC001380903339 906988297 /nfs/dbraw/zinc/98/82/97/906988297.db2.gz SLEKPOVAPNFLHE-ZDUSSCGKSA-N 2 2 294.399 0.673 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+][C@H](C)CNC(=O)CC[NH+](C)C)o1 ZINC001491568614 907436774 /nfs/dbraw/zinc/43/67/74/907436774.db2.gz LHULWGPEZQKIFK-NXEZZACHSA-N 2 2 283.376 0.485 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1[C@H]2C[N@H+](C/C=C/Cl)C[C@@H]12 ZINC001381918187 907456152 /nfs/dbraw/zinc/45/61/52/907456152.db2.gz ASAYUXKFYYSGFF-VOSUWGKHSA-N 2 2 294.786 0.930 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1[C@H]2C[N@@H+](C/C=C/Cl)C[C@@H]12 ZINC001381918187 907456165 /nfs/dbraw/zinc/45/61/65/907456165.db2.gz ASAYUXKFYYSGFF-VOSUWGKHSA-N 2 2 294.786 0.930 20 0 CCADLP COC[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001382150923 907573805 /nfs/dbraw/zinc/57/38/05/907573805.db2.gz NPTWVLOQWCEDKY-CHWSQXEVSA-N 2 2 296.415 0.824 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001491824567 907588340 /nfs/dbraw/zinc/58/83/40/907588340.db2.gz VHMYNHBGTPPDNP-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP COCC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001491837905 907598956 /nfs/dbraw/zinc/59/89/56/907598956.db2.gz MWNQVAQDFSRHGY-NSHDSACASA-N 2 2 266.345 0.037 20 0 CCADLP C[N@H+](CCCO)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001491956395 907652576 /nfs/dbraw/zinc/65/25/76/907652576.db2.gz NDSOPEZYAXSJKE-LBPRGKRZSA-N 2 2 280.372 0.257 20 0 CCADLP C[N@@H+](CCCO)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001491956395 907652582 /nfs/dbraw/zinc/65/25/82/907652582.db2.gz NDSOPEZYAXSJKE-LBPRGKRZSA-N 2 2 280.372 0.257 20 0 CCADLP CN(C[C@H](O)C[NH2+]CC1CC1)C(=O)CCc1c[nH]c[nH+]1 ZINC001382404925 907726596 /nfs/dbraw/zinc/72/65/96/907726596.db2.gz NNDIQIOFDHLTFH-CYBMUJFWSA-N 2 2 280.372 0.161 20 0 CCADLP CN(C[C@H](O)C[NH2+]CC1CC1)C(=O)CCc1c[nH+]c[nH]1 ZINC001382404925 907726602 /nfs/dbraw/zinc/72/66/02/907726602.db2.gz NNDIQIOFDHLTFH-CYBMUJFWSA-N 2 2 280.372 0.161 20 0 CCADLP CC(C)N(CC[N@H+](C)CCO)C(=O)CCc1[nH+]ccn1C ZINC001382495328 907772083 /nfs/dbraw/zinc/77/20/83/907772083.db2.gz CWHZGNJURWOICM-UHFFFAOYSA-N 2 2 296.415 0.514 20 0 CCADLP CC(C)N(CC[N@@H+](C)CCO)C(=O)CCc1[nH+]ccn1C ZINC001382495328 907772098 /nfs/dbraw/zinc/77/20/98/907772098.db2.gz CWHZGNJURWOICM-UHFFFAOYSA-N 2 2 296.415 0.514 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N[C@H]1C[NH+](CC)CC1(C)C ZINC001304043671 908136633 /nfs/dbraw/zinc/13/66/33/908136633.db2.gz YKBVWKRTPHNNRI-NEPJUHHUSA-N 2 2 253.390 0.927 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N[C@H]1C[NH+](CC)CC1(C)C ZINC001304043671 908136639 /nfs/dbraw/zinc/13/66/39/908136639.db2.gz YKBVWKRTPHNNRI-NEPJUHHUSA-N 2 2 253.390 0.927 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)N[C@H]1C[N@H+](CC)CC1(C)C ZINC001304043671 908136645 /nfs/dbraw/zinc/13/66/45/908136645.db2.gz YKBVWKRTPHNNRI-NEPJUHHUSA-N 2 2 253.390 0.927 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)N[C@H]1C[N@@H+](CC)CC1(C)C ZINC001304043671 908136650 /nfs/dbraw/zinc/13/66/50/908136650.db2.gz YKBVWKRTPHNNRI-NEPJUHHUSA-N 2 2 253.390 0.927 20 0 CCADLP C[C@H]1NC(=O)N(CC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1=O ZINC001307509279 908321672 /nfs/dbraw/zinc/32/16/72/908321672.db2.gz 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CUOQGULKINEMBD-VXGBXAGGSA-N 2 2 255.362 0.711 20 0 CCADLP CN(C)C(=O)OCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC001331143036 917120333 /nfs/dbraw/zinc/12/03/33/917120333.db2.gz CUOQGULKINEMBD-VXGBXAGGSA-N 2 2 255.362 0.711 20 0 CCADLP CN(C)C(=O)OCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001331143036 917120348 /nfs/dbraw/zinc/12/03/48/917120348.db2.gz CUOQGULKINEMBD-VXGBXAGGSA-N 2 2 255.362 0.711 20 0 CCADLP CN(C)C(=O)OCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC001331143036 917120363 /nfs/dbraw/zinc/12/03/63/917120363.db2.gz CUOQGULKINEMBD-VXGBXAGGSA-N 2 2 255.362 0.711 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccon1 ZINC001402914554 917345425 /nfs/dbraw/zinc/34/54/25/917345425.db2.gz ZRELQBNVIIABMJ-WCQYABFASA-N 2 2 280.372 0.753 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1ccon1 ZINC001402914554 917345442 /nfs/dbraw/zinc/34/54/42/917345442.db2.gz ZRELQBNVIIABMJ-WCQYABFASA-N 2 2 280.372 0.753 20 0 CCADLP Cc1noc([C@H](C)[NH2+][C@H](C)CNC(=O)C[N@H+](C)C(C)C)n1 ZINC001403169172 917554845 /nfs/dbraw/zinc/55/48/45/917554845.db2.gz PVKJAZXOUMASPC-MNOVXSKESA-N 2 2 297.403 0.874 20 0 CCADLP Cc1noc([C@H](C)[NH2+][C@H](C)CNC(=O)C[N@@H+](C)C(C)C)n1 ZINC001403169172 917554855 /nfs/dbraw/zinc/55/48/55/917554855.db2.gz PVKJAZXOUMASPC-MNOVXSKESA-N 2 2 297.403 0.874 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCCCC[N@H+]1CCO ZINC001403283381 917631375 /nfs/dbraw/zinc/63/13/75/917631375.db2.gz GOQOUDCQAFFSMX-ZDUSSCGKSA-N 2 2 280.372 0.236 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCCCC[N@@H+]1CCO ZINC001403283381 917631380 /nfs/dbraw/zinc/63/13/80/917631380.db2.gz GOQOUDCQAFFSMX-ZDUSSCGKSA-N 2 2 280.372 0.236 20 0 CCADLP O=S1(=O)CC[C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC001331966661 917761869 /nfs/dbraw/zinc/76/18/69/917761869.db2.gz YNONBJDWMGLBJF-WDEREUQCSA-N 2 2 258.387 0.295 20 0 CCADLP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1cncs1 ZINC001403632177 917862614 /nfs/dbraw/zinc/86/26/14/917862614.db2.gz OTYSWWRSVPQZKH-NSHDSACASA-N 2 2 293.396 0.976 20 0 CCADLP CC[C@@H](F)C[N@H+](CC)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001403850008 918066624 /nfs/dbraw/zinc/06/66/24/918066624.db2.gz YWWPJTDRWDCKKF-CHWSQXEVSA-N 2 2 289.395 0.503 20 0 CCADLP CC[C@@H](F)C[N@@H+](CC)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001403850008 918066637 /nfs/dbraw/zinc/06/66/37/918066637.db2.gz YWWPJTDRWDCKKF-CHWSQXEVSA-N 2 2 289.395 0.503 20 0 CCADLP CC[C@@H](F)C[NH+](CC)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001403850008 918066649 /nfs/dbraw/zinc/06/66/49/918066649.db2.gz YWWPJTDRWDCKKF-CHWSQXEVSA-N 2 2 289.395 0.503 20 0 CCADLP CC[C@@H](F)C[NH+](CC)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001403850008 918066658 /nfs/dbraw/zinc/06/66/58/918066658.db2.gz YWWPJTDRWDCKKF-CHWSQXEVSA-N 2 2 289.395 0.503 20 0 CCADLP CCNC(=O)C[N@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001403884582 918084112 /nfs/dbraw/zinc/08/41/12/918084112.db2.gz MAQPCSLOYDZRKI-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001403884582 918084131 /nfs/dbraw/zinc/08/41/31/918084131.db2.gz MAQPCSLOYDZRKI-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CCNC(=O)C[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001403884582 918084150 /nfs/dbraw/zinc/08/41/50/918084150.db2.gz MAQPCSLOYDZRKI-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CCNC(=O)C[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001403884582 918084166 /nfs/dbraw/zinc/08/41/66/918084166.db2.gz MAQPCSLOYDZRKI-ZDUSSCGKSA-N 2 2 298.431 0.045 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+](Cc2cnon2)C1 ZINC001404072988 918192256 /nfs/dbraw/zinc/19/22/56/918192256.db2.gz GGPKEPSGPKIEQO-GFCCVEGCSA-N 2 2 295.387 0.350 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+](Cc2cnon2)C1 ZINC001404072988 918192264 /nfs/dbraw/zinc/19/22/64/918192264.db2.gz GGPKEPSGPKIEQO-GFCCVEGCSA-N 2 2 295.387 0.350 20 0 CCADLP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+](Cc2cnon2)C1 ZINC001404072988 918192272 /nfs/dbraw/zinc/19/22/72/918192272.db2.gz GGPKEPSGPKIEQO-GFCCVEGCSA-N 2 2 295.387 0.350 20 0 CCADLP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001404072988 918192282 /nfs/dbraw/zinc/19/22/82/918192282.db2.gz GGPKEPSGPKIEQO-GFCCVEGCSA-N 2 2 295.387 0.350 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCc2c[nH+]cn2C)C1 ZINC001332558513 918274855 /nfs/dbraw/zinc/27/48/55/918274855.db2.gz WWEGYCVWEAQCHT-ZJUUUORDSA-N 2 2 251.334 0.299 20 0 CCADLP CCCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001404438975 918349918 /nfs/dbraw/zinc/34/99/18/918349918.db2.gz BEKLQJGTKHMAFM-ZDUSSCGKSA-N 2 2 298.431 0.126 20 0 CCADLP CCCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001404438975 918349935 /nfs/dbraw/zinc/34/99/35/918349935.db2.gz BEKLQJGTKHMAFM-ZDUSSCGKSA-N 2 2 298.431 0.126 20 0 CCADLP CCC[NH+]1CCN(CCN(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001404557778 918389057 /nfs/dbraw/zinc/38/90/57/918389057.db2.gz KFMZVVGNKLEWRB-UHFFFAOYSA-N 2 2 293.415 0.438 20 0 CCADLP CC(C)NC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001404713505 918435011 /nfs/dbraw/zinc/43/50/11/918435011.db2.gz OQHDAPYURRDHNO-ZDUSSCGKSA-N 2 2 298.431 0.043 20 0 CCADLP CC(C)NC(=O)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001404713505 918435018 /nfs/dbraw/zinc/43/50/18/918435018.db2.gz OQHDAPYURRDHNO-ZDUSSCGKSA-N 2 2 298.431 0.043 20 0 CCADLP C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC001332816938 918459756 /nfs/dbraw/zinc/45/97/56/918459756.db2.gz ZSOHAQMARBXTGS-DLOVCJGASA-N 2 2 266.389 0.990 20 0 CCADLP C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC001332816938 918459764 /nfs/dbraw/zinc/45/97/64/918459764.db2.gz ZSOHAQMARBXTGS-DLOVCJGASA-N 2 2 266.389 0.990 20 0 CCADLP C[C@@H](CC(=O)NCC1C[NH+](CCCO)C1)n1cc[nH+]c1 ZINC001404895250 918509004 /nfs/dbraw/zinc/50/90/04/918509004.db2.gz VGOCQLDZGXUIMY-LBPRGKRZSA-N 2 2 280.372 0.265 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)NCC1C[NH+](CCF)C1 ZINC001404912386 918517234 /nfs/dbraw/zinc/51/72/34/918517234.db2.gz QZZBVKHSGDIDAJ-UHFFFAOYSA-N 2 2 282.363 0.989 20 0 CCADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]C[C@@H]1CCCCO1 ZINC001405370583 918743954 /nfs/dbraw/zinc/74/39/54/918743954.db2.gz PKPVPEOLGBLABC-KGLIPLIRSA-N 2 2 294.399 0.937 20 0 CCADLP C[C@@H](C[NH2+]Cc1ccccn1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001405865838 918952972 /nfs/dbraw/zinc/95/29/72/918952972.db2.gz FGIWRCYCYZWNFT-LBPRGKRZSA-N 2 2 287.367 0.984 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](O)C[NH2+]CC1CCC1 ZINC001406279795 919154416 /nfs/dbraw/zinc/15/44/16/919154416.db2.gz HYMHZGFCSSLJRF-BXUZGUMPSA-N 2 2 294.399 0.455 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](O)C[NH2+]CC1CCC1 ZINC001406279795 919154426 /nfs/dbraw/zinc/15/44/26/919154426.db2.gz HYMHZGFCSSLJRF-BXUZGUMPSA-N 2 2 294.399 0.455 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[NH2+]Cc1cncn1C ZINC001406415719 919248412 /nfs/dbraw/zinc/24/84/12/919248412.db2.gz RDUVPJPUWNQRNF-SNVBAGLBSA-N 2 2 290.371 0.289 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+]Cc1nncs1 ZINC001406431750 919261540 /nfs/dbraw/zinc/26/15/40/919261540.db2.gz LYNDHUVUAWBOTJ-SECBINFHSA-N 2 2 294.384 0.338 20 0 CCADLP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@H](C)c1nc(C)no1 ZINC001406548186 919340354 /nfs/dbraw/zinc/34/03/54/919340354.db2.gz OGSPRAQRIGQKEY-WDEREUQCSA-N 2 2 297.403 0.875 20 0 CCADLP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+][C@H](C)c1nc(C)no1 ZINC001406548186 919340366 /nfs/dbraw/zinc/34/03/66/919340366.db2.gz OGSPRAQRIGQKEY-WDEREUQCSA-N 2 2 297.403 0.875 20 0 CCADLP CC[C@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccn(C)n1)[NH+](C)C ZINC001406685983 919425900 /nfs/dbraw/zinc/42/59/00/919425900.db2.gz DSFSFFAZILSUII-TZMCWYRMSA-N 2 2 295.431 0.697 20 0 CCADLP CC[C@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccn(C)n1)[NH+](C)C ZINC001406685983 919425912 /nfs/dbraw/zinc/42/59/12/919425912.db2.gz DSFSFFAZILSUII-TZMCWYRMSA-N 2 2 295.431 0.697 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H](C[NH2+]C[C@H]1CCOC1)C1CC1 ZINC001406802147 919467837 /nfs/dbraw/zinc/46/78/37/919467837.db2.gz FORPCFHRGVLMCM-OCCSQVGLSA-N 2 2 292.383 0.404 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+]CC[C@@H]2CCCO2)CC1 ZINC001406984275 919567654 /nfs/dbraw/zinc/56/76/54/919567654.db2.gz XKEUHDJZQRELHX-LBPRGKRZSA-N 2 2 292.383 0.760 20 0 CCADLP CC[C@H](C(=O)N(C)C1C[NH+]([C@H](C)COC)C1)[NH+](C)C ZINC001407054169 919593504 /nfs/dbraw/zinc/59/35/04/919593504.db2.gz HTLAUMKYSMUGEH-DGCLKSJQSA-N 2 2 271.405 0.504 20 0 CCADLP C[C@H](O)C[N@@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001407860262 919921433 /nfs/dbraw/zinc/92/14/33/919921433.db2.gz YUTFSXHRFHIZRA-KBPBESRZSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@H](O)C[N@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001407860262 919921441 /nfs/dbraw/zinc/92/14/41/919921441.db2.gz YUTFSXHRFHIZRA-KBPBESRZSA-N 2 2 294.399 0.625 20 0 CCADLP COCC[N@H+](C)C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001408341712 920154726 /nfs/dbraw/zinc/15/47/26/920154726.db2.gz PJOKLNCDISBZQS-GFCCVEGCSA-N 2 2 280.372 0.521 20 0 CCADLP COCC[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001408341712 920154737 /nfs/dbraw/zinc/15/47/37/920154737.db2.gz PJOKLNCDISBZQS-GFCCVEGCSA-N 2 2 280.372 0.521 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)NOCc2ccccc2)CC1 ZINC001335413961 920180418 /nfs/dbraw/zinc/18/04/18/920180418.db2.gz UCJWAICXTBJYJP-UHFFFAOYSA-N 2 2 292.383 0.841 20 0 CCADLP CCC[NH2+]CCNC(=O)N[C@H](CC)C[NH+]1CCOCC1 ZINC001335591807 920303724 /nfs/dbraw/zinc/30/37/24/920303724.db2.gz VHVOYBKAQGMUPT-CYBMUJFWSA-N 2 2 286.420 0.396 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCC[NH2+]C1 ZINC001336686483 920926763 /nfs/dbraw/zinc/92/67/63/920926763.db2.gz DDEGEBAMODANAN-QJPTWQEYSA-N 2 2 262.357 0.639 20 0 CCADLP Cc1ccnc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001418213994 921924286 /nfs/dbraw/zinc/92/42/86/921924286.db2.gz MRYPERWOVCRSOA-QWHCGFSZSA-N 2 2 291.399 0.474 20 0 CCADLP Cc1ccnc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001418213994 921924294 /nfs/dbraw/zinc/92/42/94/921924294.db2.gz MRYPERWOVCRSOA-QWHCGFSZSA-N 2 2 291.399 0.474 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)[NH2+]C[C@H](C)O)ccn12 ZINC001418220271 921932445 /nfs/dbraw/zinc/93/24/45/921932445.db2.gz ISXALFWMHUCWJT-PWSUYJOCSA-N 2 2 290.367 0.731 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+]Cc1cnn(C)c1 ZINC001418302125 922008057 /nfs/dbraw/zinc/00/80/57/922008057.db2.gz KGOOBCFUAJHJTD-SNVBAGLBSA-N 2 2 290.371 0.289 20 0 CCADLP C[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)CC[C@@H]1CCCO1 ZINC001418499055 922188061 /nfs/dbraw/zinc/18/80/61/922188061.db2.gz QBOFZFBJUYNPBB-ZDUSSCGKSA-N 2 2 280.372 0.569 20 0 CCADLP C[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)CC[C@@H]1CCCO1 ZINC001418499055 922188072 /nfs/dbraw/zinc/18/80/72/922188072.db2.gz QBOFZFBJUYNPBB-ZDUSSCGKSA-N 2 2 280.372 0.569 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001340851933 922245585 /nfs/dbraw/zinc/24/55/85/922245585.db2.gz AIOQPXFIOISCNB-XQQFMLRXSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001340851933 922245596 /nfs/dbraw/zinc/24/55/96/922245596.db2.gz AIOQPXFIOISCNB-XQQFMLRXSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]1C[C@@H](C)[C@@H](C(=O)NCC[NH+]2CCC([NH3+])CC2)O1 ZINC001341057844 922330204 /nfs/dbraw/zinc/33/02/04/922330204.db2.gz ZNCKGJHNCQINJE-WZRBSPASSA-N 2 2 269.389 0.339 20 0 CCADLP C[NH+](C)C1(C(=O)NCCCCC[NH+]2CCNCC2)CC1 ZINC001341072427 922335389 /nfs/dbraw/zinc/33/53/89/922335389.db2.gz OJEAVEOWEMVIKI-UHFFFAOYSA-N 2 2 282.432 0.272 20 0 CCADLP C[C@H](O)C[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001418931213 922492178 /nfs/dbraw/zinc/49/21/78/922492178.db2.gz JOANGVHIFLEALH-RYUDHWBXSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@H](O)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001418931213 922492185 /nfs/dbraw/zinc/49/21/85/922492185.db2.gz JOANGVHIFLEALH-RYUDHWBXSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC001341468562 922501582 /nfs/dbraw/zinc/50/15/82/922501582.db2.gz YHQAJDWSQXVDJU-KOLCDFICSA-N 2 2 250.346 0.703 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC001341468562 922501592 /nfs/dbraw/zinc/50/15/92/922501592.db2.gz YHQAJDWSQXVDJU-KOLCDFICSA-N 2 2 250.346 0.703 20 0 CCADLP CC1(C)[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H]2CCC[NH2+][C@H]21 ZINC001341591513 922571508 /nfs/dbraw/zinc/57/15/08/922571508.db2.gz DANDIQPOHDFXDX-OASPWFOLSA-N 2 2 262.357 0.845 20 0 CCADLP [NH3+][C@@H]1C[C@H](NC(=O)/C=C/C[NH+]2CCOCC2)C12CCC2 ZINC001341656137 922608922 /nfs/dbraw/zinc/60/89/22/922608922.db2.gz OWEXLNBSMWTJRU-MFDKULFUSA-N 2 2 279.384 0.261 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)C[C@H]([NH3+])C(F)F ZINC001341662289 922613665 /nfs/dbraw/zinc/61/36/65/922613665.db2.gz KBOXBCMPRKQXDD-VIFPVBQESA-N 2 2 260.288 0.680 20 0 CCADLP C[C@@H](C(=O)NCC[NH+]1CCC([NH3+])CC1)C(F)(F)F ZINC001341690068 922630093 /nfs/dbraw/zinc/63/00/93/922630093.db2.gz HYTLBUAYXAGUQF-QMMMGPOBSA-N 2 2 267.295 0.724 20 0 CCADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC1CCOCC1 ZINC001419263562 922739428 /nfs/dbraw/zinc/73/94/28/922739428.db2.gz BEMHDUGYBORGRE-CQSZACIVSA-N 2 2 294.399 0.794 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001341977673 922750394 /nfs/dbraw/zinc/75/03/94/922750394.db2.gz MPPMZARSIXYAHF-LSWWDMPGSA-N 2 2 262.357 0.974 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC2(CC([NH3+])C2)C1 ZINC001341977673 922750405 /nfs/dbraw/zinc/75/04/05/922750405.db2.gz MPPMZARSIXYAHF-LSWWDMPGSA-N 2 2 262.357 0.974 20 0 CCADLP C[C@H]1C[C@H]([NH3+])CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001342069542 922790534 /nfs/dbraw/zinc/79/05/34/922790534.db2.gz NVDJKZDQMOSVBM-IRCOFANPSA-N 2 2 262.357 0.862 20 0 CCADLP C[NH2+]C[C@@H](C)C(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001342254869 922877579 /nfs/dbraw/zinc/87/75/79/922877579.db2.gz SFISJPXODWIZJQ-LLVKDONJSA-N 2 2 264.373 0.982 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001419517214 922890886 /nfs/dbraw/zinc/89/08/86/922890886.db2.gz ZLLYMLFZJFVQIV-GOYQAJIHSA-N 2 2 282.775 0.952 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cnon1 ZINC001419772099 923086099 /nfs/dbraw/zinc/08/60/99/923086099.db2.gz SNOYHRDBVSZPSX-DGCLKSJQSA-N 2 2 295.387 0.538 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cnon1 ZINC001419772099 923086127 /nfs/dbraw/zinc/08/61/27/923086127.db2.gz SNOYHRDBVSZPSX-DGCLKSJQSA-N 2 2 295.387 0.538 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CCc1ccnn1C ZINC001419844877 923127541 /nfs/dbraw/zinc/12/75/41/923127541.db2.gz DHOLRUVDOXXMNT-LLVKDONJSA-N 2 2 290.371 0.023 20 0 CCADLP C[C@@H](C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)n1cc[nH+]c1 ZINC001344015659 923531568 /nfs/dbraw/zinc/53/15/68/923531568.db2.gz AGZSNRMUZUEPIJ-TUAOUCFPSA-N 2 2 250.346 0.995 20 0 CCADLP C[C@@H](C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)n1cc[nH+]c1 ZINC001344015659 923531581 /nfs/dbraw/zinc/53/15/81/923531581.db2.gz AGZSNRMUZUEPIJ-TUAOUCFPSA-N 2 2 250.346 0.995 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+]Cc1nonc1C ZINC001420319696 923542728 /nfs/dbraw/zinc/54/27/28/923542728.db2.gz JRSIIQNPSWKASP-SECBINFHSA-N 2 2 292.343 0.177 20 0 CCADLP C[C@H](C[NH2+]CC1CCOCC1)NC(=O)Cc1c[nH+]cn1C ZINC001420367476 923583680 /nfs/dbraw/zinc/58/36/80/923583680.db2.gz SLKXLMUFMLVBFG-GFCCVEGCSA-N 2 2 294.399 0.484 20 0 CCADLP Cc1cnc(C[NH2+]C[C@@H](C)NC(=O)Cn2cc[nH+]c2)cn1 ZINC001420388668 923610393 /nfs/dbraw/zinc/61/03/93/923610393.db2.gz RXGIGCQYNRWAHO-GFCCVEGCSA-N 2 2 288.355 0.276 20 0 CCADLP COC[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001420474036 923700125 /nfs/dbraw/zinc/70/01/25/923700125.db2.gz YQCOARSZOJDFGT-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP COC[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001420474036 923700132 /nfs/dbraw/zinc/70/01/32/923700132.db2.gz YQCOARSZOJDFGT-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([C@H](C)[NH2+]CCO)CC1 ZINC001420762110 923924075 /nfs/dbraw/zinc/92/40/75/923924075.db2.gz UQKGDEMAMAHSEG-NSHDSACASA-N 2 2 294.399 0.470 20 0 CCADLP C[C@H]1CN(C(=O)NCCn2cc[nH+]c2)CC[C@@H]1C[NH3+] ZINC001346150230 924086668 /nfs/dbraw/zinc/08/66/68/924086668.db2.gz KEUXXMOEPMGWFD-NWDGAFQWSA-N 2 2 265.361 0.509 20 0 CCADLP CC[C@H](C(=O)N(C)C1C[NH+](CCO)C1)[NH+](CC)CC ZINC001421075203 924137314 /nfs/dbraw/zinc/13/73/14/924137314.db2.gz WLCMOQZAYKJHJM-CYBMUJFWSA-N 2 2 271.405 0.242 20 0 CCADLP C[C@H]1CC[C@@H](C[NH+]2CC(CNC(=O)Cn3cc[nH+]c3)C2)O1 ZINC001421195525 924204266 /nfs/dbraw/zinc/20/42/66/924204266.db2.gz VXZLZCZKJQKSHK-JSGCOSHPSA-N 2 2 292.383 0.499 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@@](C)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001421220065 924221347 /nfs/dbraw/zinc/22/13/47/924221347.db2.gz JTWNWVJZYZFGHU-IUODEOHRSA-N 2 2 294.399 0.578 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001421220065 924221368 /nfs/dbraw/zinc/22/13/68/924221368.db2.gz JTWNWVJZYZFGHU-IUODEOHRSA-N 2 2 294.399 0.578 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@@](C)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001421220066 924226287 /nfs/dbraw/zinc/22/62/87/924226287.db2.gz JTWNWVJZYZFGHU-SWLSCSKDSA-N 2 2 294.399 0.578 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001421220066 924226301 /nfs/dbraw/zinc/22/63/01/924226301.db2.gz JTWNWVJZYZFGHU-SWLSCSKDSA-N 2 2 294.399 0.578 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001421229761 924231602 /nfs/dbraw/zinc/23/16/02/924231602.db2.gz ZRWARMQCBQWOMZ-OCCSQVGLSA-N 2 2 280.372 0.499 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001421229761 924231613 /nfs/dbraw/zinc/23/16/13/924231613.db2.gz ZRWARMQCBQWOMZ-OCCSQVGLSA-N 2 2 280.372 0.499 20 0 CCADLP C[C@H](CNC(=O)CCc1[nH+]ccn1C)C[NH+](C)C ZINC001347607895 924491302 /nfs/dbraw/zinc/49/13/02/924491302.db2.gz GYEFOHBVNLDIMB-LLVKDONJSA-N 2 2 252.362 0.667 20 0 CCADLP C[C@H](CCNC(=O)CCc1[nH+]ccn1C)[NH+](C)C ZINC001347819623 924542792 /nfs/dbraw/zinc/54/27/92/924542792.db2.gz CJRMTVQGFWHBJA-LLVKDONJSA-N 2 2 252.362 0.809 20 0 CCADLP COC1CC[NH+](Cc2cn(CCC[NH3+])nn2)CC1 ZINC001348512780 924711238 /nfs/dbraw/zinc/71/12/38/924711238.db2.gz VDWMVUFRBRSMMJ-UHFFFAOYSA-N 2 2 253.350 0.238 20 0 CCADLP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)CCc1[nH+]ccn1C ZINC001349899502 925088272 /nfs/dbraw/zinc/08/82/72/925088272.db2.gz DESIAJQDHXDFAA-NEPJUHHUSA-N 2 2 264.373 0.904 20 0 CCADLP C[NH2+]CCN(C(=O)NCCn1cc[nH+]c1)C(C)C ZINC001353253528 925774441 /nfs/dbraw/zinc/77/44/41/925774441.db2.gz AJFZBJGNRFDLQY-UHFFFAOYSA-N 2 2 253.350 0.523 20 0 CCADLP C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[NH2+]1 ZINC001353634951 925891843 /nfs/dbraw/zinc/89/18/43/925891843.db2.gz VIMJPTGYGUXETD-IRCOFANPSA-N 2 2 262.357 0.780 20 0 CCADLP Nc1cc(N2CC[NH+](C[C@@H]3CCOC3)CC2)nc[nH+]1 ZINC001354131502 926024397 /nfs/dbraw/zinc/02/43/97/926024397.db2.gz SRULGJUUJFVMHV-NSHDSACASA-N 2 2 263.345 0.217 20 0 CCADLP CC1(C)CC[C@H]1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001357419135 926529184 /nfs/dbraw/zinc/52/91/84/926529184.db2.gz WXAIFMOIUIZPQU-GFCCVEGCSA-N 2 2 268.405 0.897 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC001357446952 926535393 /nfs/dbraw/zinc/53/53/93/926535393.db2.gz VCCTUJHXEAEWFM-OUAUKWLOSA-N 2 2 250.346 0.784 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC001357446952 926535401 /nfs/dbraw/zinc/53/54/01/926535401.db2.gz VCCTUJHXEAEWFM-OUAUKWLOSA-N 2 2 250.346 0.784 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C)([NH3+])CC1 ZINC001357457614 926536330 /nfs/dbraw/zinc/53/63/30/926536330.db2.gz MKTLHUUABTUKDQ-JTQLQIEISA-N 2 2 250.346 0.928 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C)([NH3+])CC1 ZINC001357457614 926536337 /nfs/dbraw/zinc/53/63/37/926536337.db2.gz MKTLHUUABTUKDQ-JTQLQIEISA-N 2 2 250.346 0.928 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC(C)([NH3+])CC1 ZINC001357457615 926536553 /nfs/dbraw/zinc/53/65/53/926536553.db2.gz MKTLHUUABTUKDQ-SNVBAGLBSA-N 2 2 250.346 0.928 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(C)([NH3+])CC1 ZINC001357457615 926536560 /nfs/dbraw/zinc/53/65/60/926536560.db2.gz MKTLHUUABTUKDQ-SNVBAGLBSA-N 2 2 250.346 0.928 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C[NH2+]1 ZINC001357939170 926612687 /nfs/dbraw/zinc/61/26/87/926612687.db2.gz RUOTXCWGFCQFMY-UTUOFQBUSA-N 2 2 262.357 0.702 20 0 CCADLP [NH3+][C@@H](CC(=O)N1CC[C@@]2(C1)CCCC[NH2+]2)C(F)F ZINC001358322700 926674926 /nfs/dbraw/zinc/67/49/26/926674926.db2.gz PAWBXSIUGFHJKI-JOYOIKCWSA-N 2 2 261.316 0.714 20 0 CCADLP CC[N@@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001421358506 926693940 /nfs/dbraw/zinc/69/39/40/926693940.db2.gz IMYQQHWDXYPAMG-OAHLLOKOSA-N 2 2 293.367 0.206 20 0 CCADLP CC[N@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001421358506 926693949 /nfs/dbraw/zinc/69/39/49/926693949.db2.gz IMYQQHWDXYPAMG-OAHLLOKOSA-N 2 2 293.367 0.206 20 0 CCADLP CCC[C@H](O)C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001413981071 926719458 /nfs/dbraw/zinc/71/94/58/926719458.db2.gz ROEUNFZSAACGBC-KBPBESRZSA-N 2 2 283.416 0.562 20 0 CCADLP CCC[C@H](O)C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001413981071 926719474 /nfs/dbraw/zinc/71/94/74/926719474.db2.gz ROEUNFZSAACGBC-KBPBESRZSA-N 2 2 283.416 0.562 20 0 CCADLP C[C@@H](O)C[N@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001422249424 927176373 /nfs/dbraw/zinc/17/63/73/927176373.db2.gz OATAARKJIMGXHM-CHWSQXEVSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001422249424 927176381 /nfs/dbraw/zinc/17/63/81/927176381.db2.gz OATAARKJIMGXHM-CHWSQXEVSA-N 2 2 294.399 0.266 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)[C@H](C)[NH2+]CCO)ccn12 ZINC001422327280 927223883 /nfs/dbraw/zinc/22/38/83/927223883.db2.gz YMLSCKADJYCEMW-RYUDHWBXSA-N 2 2 290.367 0.731 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCO)ccn12 ZINC001422327290 927224052 /nfs/dbraw/zinc/22/40/52/927224052.db2.gz YMLSCKADJYCEMW-VXGBXAGGSA-N 2 2 290.367 0.731 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@H+](C)C[C@H]1CCCCO1 ZINC001422558550 927367150 /nfs/dbraw/zinc/36/71/50/927367150.db2.gz JVRRZCHAPPQGSO-GXTWGEPZSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@@H+](C)C[C@H]1CCCCO1 ZINC001422558550 927367166 /nfs/dbraw/zinc/36/71/66/927367166.db2.gz JVRRZCHAPPQGSO-GXTWGEPZSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H](CNC(=O)CCc1c[nH+]cn1C)[N@H+](C)CCCO ZINC001422607387 927404871 /nfs/dbraw/zinc/40/48/71/927404871.db2.gz LJGYHWWGUVIXKD-GFCCVEGCSA-N 2 2 282.388 0.172 20 0 CCADLP C[C@H](CNC(=O)CCc1c[nH+]cn1C)[N@@H+](C)CCCO ZINC001422607387 927404882 /nfs/dbraw/zinc/40/48/82/927404882.db2.gz LJGYHWWGUVIXKD-GFCCVEGCSA-N 2 2 282.388 0.172 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH2+]Cc1nccn1C ZINC001422679836 927448716 /nfs/dbraw/zinc/44/87/16/927448716.db2.gz SCFAMVLUILPMRU-NSHDSACASA-N 2 2 290.371 0.220 20 0 CCADLP COC[C@@H](C)[NH+]1CC([C@H](C)NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001422751112 927489331 /nfs/dbraw/zinc/48/93/31/927489331.db2.gz AVDKSFPHFHVNEV-MNOVXSKESA-N 2 2 294.399 0.732 20 0 CCADLP CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001422846123 927549922 /nfs/dbraw/zinc/54/99/22/927549922.db2.gz CNJFAWNZLHFLJJ-OCCSQVGLSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@H](CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CCF ZINC001423075973 927661837 /nfs/dbraw/zinc/66/18/37/927661837.db2.gz JEIKGEVNGKZTTD-NEPJUHHUSA-N 2 2 282.363 0.852 20 0 CCADLP CO[C@H](C)C[NH2+][C@H](C)CN(C)C(=O)CCc1c[nH+]cn1C ZINC001423169340 927705913 /nfs/dbraw/zinc/70/59/13/927705913.db2.gz JXGYCFFXOKNANE-CHWSQXEVSA-N 2 2 296.415 0.824 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H](CO)[NH2+]Cc1ccccc1 ZINC001423308003 927805214 /nfs/dbraw/zinc/80/52/14/927805214.db2.gz IGORNJHKUSQXGV-CQSZACIVSA-N 2 2 288.351 0.150 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@]1(C)CC[N@H+](CCCO)C1 ZINC001423593621 927934124 /nfs/dbraw/zinc/93/41/24/927934124.db2.gz XPLPEAOFWLYXPT-CQSZACIVSA-N 2 2 280.372 0.224 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@]1(C)CC[N@@H+](CCCO)C1 ZINC001423593621 927934139 /nfs/dbraw/zinc/93/41/39/927934139.db2.gz XPLPEAOFWLYXPT-CQSZACIVSA-N 2 2 280.372 0.224 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@](C)(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001423599833 927937908 /nfs/dbraw/zinc/93/79/08/927937908.db2.gz SSGJOCYVGVDZHE-ZFWWWQNUSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@](C)(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001423599833 927937909 /nfs/dbraw/zinc/93/79/09/927937909.db2.gz SSGJOCYVGVDZHE-ZFWWWQNUSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@@H](O)C[NH2+]C1CC(N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001423684345 927956365 /nfs/dbraw/zinc/95/63/65/927956365.db2.gz QXQQYEBEPNJJRT-PNESKVBLSA-N 2 2 280.372 0.233 20 0 CCADLP CC(C)C[NH2+]CC1(NC(=O)Cc2[nH]cc[nH+]2)CCOCC1 ZINC001424429702 928183872 /nfs/dbraw/zinc/18/38/72/928183872.db2.gz BXSVRMGMQOFUMR-UHFFFAOYSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)Cc1ccn(C)n1 ZINC001425005896 928396221 /nfs/dbraw/zinc/39/62/21/928396221.db2.gz WHNBIARUYMFOHF-ZDUSSCGKSA-N 2 2 295.431 0.698 20 0 CCADLP C[C@@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)Cc1ccn(C)n1 ZINC001425005896 928396231 /nfs/dbraw/zinc/39/62/31/928396231.db2.gz WHNBIARUYMFOHF-ZDUSSCGKSA-N 2 2 295.431 0.698 20 0 CCADLP C[NH+](C)C1(C(=O)NC2(CCO)C[NH+](CC3CC3)C2)CCC1 ZINC001425105556 928436176 /nfs/dbraw/zinc/43/61/76/928436176.db2.gz SQFCJOUOFSZHMT-UHFFFAOYSA-N 2 2 295.427 0.434 20 0 CCADLP CC(C)[NH+]1CC(CCO)(NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001425104895 928438079 /nfs/dbraw/zinc/43/80/79/928438079.db2.gz QPQPCWIZCDJLAW-UHFFFAOYSA-N 2 2 283.416 0.432 20 0 CCADLP C[C@H](O)C[NH+]1CC([C@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001425243107 928475375 /nfs/dbraw/zinc/47/53/75/928475375.db2.gz RRBINAAJNVFNJC-RYUDHWBXSA-N 2 2 280.372 0.091 20 0 CCADLP COC[C@H](C)[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001425685437 928623692 /nfs/dbraw/zinc/62/36/92/928623692.db2.gz UMBBMLJHBSZTLG-NEPJUHHUSA-N 2 2 282.388 0.434 20 0 CCADLP CC[C@H](C(=O)NC1C[NH+](C[C@H](C)OC)C1)[NH+](CC)CC ZINC001443524515 929635292 /nfs/dbraw/zinc/63/52/92/929635292.db2.gz IRYMXXFKEAHRRI-GXTWGEPZSA-N 2 2 285.432 0.942 20 0 CCADLP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CCF ZINC001371830033 929641925 /nfs/dbraw/zinc/64/19/25/929641925.db2.gz SOXCSDRGEFKRKU-QJPTWQEYSA-N 2 2 282.363 0.978 20 0 CCADLP C[C@H](O)CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC001443679427 929672795 /nfs/dbraw/zinc/67/27/95/929672795.db2.gz OYUGMVYEXSBELX-UBHSHLNASA-N 2 2 292.383 0.398 20 0 CCADLP C[C@H](O)CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1c[nH+]c[nH]1 ZINC001443679427 929672802 /nfs/dbraw/zinc/67/28/02/929672802.db2.gz OYUGMVYEXSBELX-UBHSHLNASA-N 2 2 292.383 0.398 20 0 CCADLP COC[C@H](C)[N@H+](C)CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001372025223 929707614 /nfs/dbraw/zinc/70/76/14/929707614.db2.gz NUNFZBZNOAKBCL-NSHDSACASA-N 2 2 298.387 0.433 20 0 CCADLP COC[C@H](C)[N@@H+](C)CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001372025223 929707621 /nfs/dbraw/zinc/70/76/21/929707621.db2.gz NUNFZBZNOAKBCL-NSHDSACASA-N 2 2 298.387 0.433 20 0 CCADLP Cc1ncc(C[N@H+](C)CCNC(=O)C[C@@H]2CC[NH+](C)C2)o1 ZINC001372183729 929758602 /nfs/dbraw/zinc/75/86/02/929758602.db2.gz OHHYTNULBNGTGJ-ZDUSSCGKSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1ncc(C[N@@H+](C)CCNC(=O)C[C@@H]2CC[NH+](C)C2)o1 ZINC001372183729 929758611 /nfs/dbraw/zinc/75/86/11/929758611.db2.gz OHHYTNULBNGTGJ-ZDUSSCGKSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1ncc(C[NH+](C)CCNC(=O)C[C@@H]2CC[N@H+](C)C2)o1 ZINC001372183729 929758618 /nfs/dbraw/zinc/75/86/18/929758618.db2.gz OHHYTNULBNGTGJ-ZDUSSCGKSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1ncc(C[NH+](C)CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)o1 ZINC001372183729 929758626 /nfs/dbraw/zinc/75/86/26/929758626.db2.gz OHHYTNULBNGTGJ-ZDUSSCGKSA-N 2 2 294.399 0.873 20 0 CCADLP CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001444397137 929861577 /nfs/dbraw/zinc/86/15/77/929861577.db2.gz VSBSWMDCDPGWAN-ZFWWWQNUSA-N 2 2 297.443 0.992 20 0 CCADLP CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001444397137 929861589 /nfs/dbraw/zinc/86/15/89/929861589.db2.gz VSBSWMDCDPGWAN-ZFWWWQNUSA-N 2 2 297.443 0.992 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)CCC[NH+](C)C)n1 ZINC001445435485 930135219 /nfs/dbraw/zinc/13/52/19/930135219.db2.gz HGCFOXHPZUXFCL-GHMZBOCLSA-N 2 2 297.403 0.875 20 0 CCADLP C[C@H](C[NH2+]Cc1ccccn1)NC(=O)Cc1c[nH+]cn1C ZINC001445475021 930141575 /nfs/dbraw/zinc/14/15/75/930141575.db2.gz ORUHKDMFQLTLLS-GFCCVEGCSA-N 2 2 287.367 0.652 20 0 CCADLP Cc1cc(C[NH2+]C[C@@H](C)NC(=O)Cn2cc[nH+]c2)ncn1 ZINC001445502298 930148409 /nfs/dbraw/zinc/14/84/09/930148409.db2.gz SGGUWHCWKITAAT-GFCCVEGCSA-N 2 2 288.355 0.276 20 0 CCADLP CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001373385949 930167594 /nfs/dbraw/zinc/16/75/94/930167594.db2.gz BGUZQDKUGYOTQT-CYBMUJFWSA-N 2 2 298.431 0.043 20 0 CCADLP CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001373385949 930167600 /nfs/dbraw/zinc/16/76/00/930167600.db2.gz BGUZQDKUGYOTQT-CYBMUJFWSA-N 2 2 298.431 0.043 20 0 CCADLP CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001373385949 930167605 /nfs/dbraw/zinc/16/76/05/930167605.db2.gz BGUZQDKUGYOTQT-CYBMUJFWSA-N 2 2 298.431 0.043 20 0 CCADLP C[C@@H](C[N@H+](C)Cc1ccn(C)n1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001445869015 930276124 /nfs/dbraw/zinc/27/61/24/930276124.db2.gz LZORRWDOEPYLFT-QWHCGFSZSA-N 2 2 293.415 0.308 20 0 CCADLP C[C@@H](C[N@@H+](C)Cc1ccn(C)n1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001445869015 930276133 /nfs/dbraw/zinc/27/61/33/930276133.db2.gz LZORRWDOEPYLFT-QWHCGFSZSA-N 2 2 293.415 0.308 20 0 CCADLP C[C@@H](C[NH+](C)Cc1ccn(C)n1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001445869015 930276138 /nfs/dbraw/zinc/27/61/38/930276138.db2.gz LZORRWDOEPYLFT-QWHCGFSZSA-N 2 2 293.415 0.308 20 0 CCADLP C[C@@H](C[NH+](C)Cc1ccn(C)n1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001445869015 930276149 /nfs/dbraw/zinc/27/61/49/930276149.db2.gz LZORRWDOEPYLFT-QWHCGFSZSA-N 2 2 293.415 0.308 20 0 CCADLP C[C@@]1(CNC(=O)Cn2cc[nH+]c2)CCC[N@H+](CCO)C1 ZINC001446691386 930459646 /nfs/dbraw/zinc/45/96/46/930459646.db2.gz BNGYVPSUIJLLET-AWEZNQCLSA-N 2 2 280.372 0.094 20 0 CCADLP C[C@@]1(CNC(=O)Cn2cc[nH+]c2)CCC[N@@H+](CCO)C1 ZINC001446691386 930459652 /nfs/dbraw/zinc/45/96/52/930459652.db2.gz BNGYVPSUIJLLET-AWEZNQCLSA-N 2 2 280.372 0.094 20 0 CCADLP Cc1nocc1C[NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001374307009 930482776 /nfs/dbraw/zinc/48/27/76/930482776.db2.gz YYTYJTNJVMFBCY-SNVBAGLBSA-N 2 2 291.355 0.885 20 0 CCADLP CC[N@H+](C)CCC(=O)NCC1(O)C[NH+](CC[C@@H](C)F)C1 ZINC001446905795 930516675 /nfs/dbraw/zinc/51/66/75/930516675.db2.gz OSGAKOROCXAGQI-GFCCVEGCSA-N 2 2 289.395 0.239 20 0 CCADLP CC[N@@H+](C)CCC(=O)NCC1(O)C[NH+](CC[C@@H](C)F)C1 ZINC001446905795 930516678 /nfs/dbraw/zinc/51/66/78/930516678.db2.gz OSGAKOROCXAGQI-GFCCVEGCSA-N 2 2 289.395 0.239 20 0 CCADLP CC1CC(C[NH2+]C[C@H](O)CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001374654630 930607970 /nfs/dbraw/zinc/60/79/70/930607970.db2.gz SQTDIPOKUARQOZ-XIVSLSHWSA-N 2 2 280.372 0.065 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)CC[N@H+](C)CC)CCO2 ZINC001447389496 930622458 /nfs/dbraw/zinc/62/24/58/930622458.db2.gz GSDPTSPIAUFXOR-UHFFFAOYSA-N 2 2 283.416 0.651 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)CC[N@@H+](C)CC)CCO2 ZINC001447389496 930622463 /nfs/dbraw/zinc/62/24/63/930622463.db2.gz GSDPTSPIAUFXOR-UHFFFAOYSA-N 2 2 283.416 0.651 20 0 CCADLP C[C@H](C[N@H+](C)CCCO)NC(=O)CCc1c[nH+]cn1C ZINC001375155445 930804395 /nfs/dbraw/zinc/80/43/95/930804395.db2.gz XIARSHBKBPFQKA-GFCCVEGCSA-N 2 2 282.388 0.172 20 0 CCADLP C[C@H](C[N@@H+](C)CCCO)NC(=O)CCc1c[nH+]cn1C ZINC001375155445 930804400 /nfs/dbraw/zinc/80/44/00/930804400.db2.gz XIARSHBKBPFQKA-GFCCVEGCSA-N 2 2 282.388 0.172 20 0 CCADLP CC(C)OCC[N@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001375164238 930807210 /nfs/dbraw/zinc/80/72/10/930807210.db2.gz MLJTZQGNNGPVOQ-ZDUSSCGKSA-N 2 2 282.388 0.745 20 0 CCADLP CC(C)OCC[N@@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001375164238 930807215 /nfs/dbraw/zinc/80/72/15/930807215.db2.gz MLJTZQGNNGPVOQ-ZDUSSCGKSA-N 2 2 282.388 0.745 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001448187212 930847673 /nfs/dbraw/zinc/84/76/73/930847673.db2.gz KNLZBHKZBWUFEZ-CQSZACIVSA-N 2 2 297.443 0.822 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001448187212 930847678 /nfs/dbraw/zinc/84/76/78/930847678.db2.gz KNLZBHKZBWUFEZ-CQSZACIVSA-N 2 2 297.443 0.822 20 0 CCADLP C[C@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001375438455 930887476 /nfs/dbraw/zinc/88/74/76/930887476.db2.gz LYOXLGZFSLSKKW-NWDGAFQWSA-N 2 2 292.383 0.065 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1[C@H](CC)C(N)=O ZINC001375473269 930892369 /nfs/dbraw/zinc/89/23/69/930892369.db2.gz SWNRMIJLDCTBIZ-CHWSQXEVSA-N 2 2 298.431 0.125 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1[C@H](CC)C(N)=O ZINC001375473269 930892374 /nfs/dbraw/zinc/89/23/74/930892374.db2.gz SWNRMIJLDCTBIZ-CHWSQXEVSA-N 2 2 298.431 0.125 20 0 CCADLP CCC[NH+](C)CC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](CC)C(N)=O ZINC001375473269 930892380 /nfs/dbraw/zinc/89/23/80/930892380.db2.gz SWNRMIJLDCTBIZ-CHWSQXEVSA-N 2 2 298.431 0.125 20 0 CCADLP CCC[NH+](C)CC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](CC)C(N)=O ZINC001375473269 930892385 /nfs/dbraw/zinc/89/23/85/930892385.db2.gz SWNRMIJLDCTBIZ-CHWSQXEVSA-N 2 2 298.431 0.125 20 0 CCADLP C[C@H]([NH2+]CCF)[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CCO1 ZINC001448463150 930894690 /nfs/dbraw/zinc/89/46/90/930894690.db2.gz ITJOIOOWHGJGBJ-AAEUAGOBSA-N 2 2 298.362 0.138 20 0 CCADLP C[C@H](CC(=O)NCC1([NH2+]C[C@H](C)O)CC1)n1cc[nH+]c1 ZINC001375489251 930897942 /nfs/dbraw/zinc/89/79/42/930897942.db2.gz HBPUDIUKRXXWCJ-NEPJUHHUSA-N 2 2 280.372 0.453 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001375507993 930902754 /nfs/dbraw/zinc/90/27/54/930902754.db2.gz ZOEFMGZAHLFZPW-MCIONIFRSA-N 2 2 294.399 0.793 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001375512456 930903284 /nfs/dbraw/zinc/90/32/84/930903284.db2.gz NRVFTLYCZVPUML-UPJWGTAASA-N 2 2 294.399 0.482 20 0 CCADLP C[C@H](O)C[NH2+][C@@H]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001375573492 930922712 /nfs/dbraw/zinc/92/27/12/930922712.db2.gz DEWOYNIQINRAHA-MELADBBJSA-N 2 2 294.399 0.529 20 0 CCADLP C[C@@H](F)CC[N@@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001376087107 931049042 /nfs/dbraw/zinc/04/90/42/931049042.db2.gz YFQGGJFBBMYJPY-RISCZKNCSA-N 2 2 298.362 0.253 20 0 CCADLP C[C@@H](F)CC[N@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001376087107 931049057 /nfs/dbraw/zinc/04/90/57/931049057.db2.gz YFQGGJFBBMYJPY-RISCZKNCSA-N 2 2 298.362 0.253 20 0 CCADLP O=C(NC[C@@H]([NH2+]CCO)C1CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001376218217 931095882 /nfs/dbraw/zinc/09/58/82/931095882.db2.gz QHFILDMMZDRZJM-CQSZACIVSA-N 2 2 288.351 0.653 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001376332635 931124721 /nfs/dbraw/zinc/12/47/21/931124721.db2.gz RIZWADZGAMNIOZ-STQMWFEESA-N 2 2 280.372 0.499 20 0 CCADLP CC[N@@H+]1CC[C@H]1C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC001449355429 931131351 /nfs/dbraw/zinc/13/13/51/931131351.db2.gz FUHRMIRDNJQCHV-STQMWFEESA-N 2 2 269.389 0.044 20 0 CCADLP CC[N@H+]1CC[C@H]1C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC001449355429 931131357 /nfs/dbraw/zinc/13/13/57/931131357.db2.gz FUHRMIRDNJQCHV-STQMWFEESA-N 2 2 269.389 0.044 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1nncs1 ZINC001376732335 931250539 /nfs/dbraw/zinc/25/05/39/931250539.db2.gz OVAJJWMSFJZQRI-HBNTYKKESA-N 2 2 297.428 0.473 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1nncs1 ZINC001376732335 931250549 /nfs/dbraw/zinc/25/05/49/931250549.db2.gz OVAJJWMSFJZQRI-HBNTYKKESA-N 2 2 297.428 0.473 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1([NH2+]C[C@H](C)O)CCC1 ZINC001376804477 931281570 /nfs/dbraw/zinc/28/15/70/931281570.db2.gz WESSJKODGFLZOX-NEPJUHHUSA-N 2 2 294.399 0.598 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1([NH2+]C[C@H](C)O)CCC1 ZINC001376804477 931281577 /nfs/dbraw/zinc/28/15/77/931281577.db2.gz WESSJKODGFLZOX-NEPJUHHUSA-N 2 2 294.399 0.598 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](Cc2ccccn2)CC1 ZINC000091689209 349472952 /nfs/dbraw/zinc/47/29/52/349472952.db2.gz DKDKEYMXSDLAOA-HNNXBMFYSA-N 2 2 288.395 0.996 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](Cc2ccccn2)CC1 ZINC000091689209 349472955 /nfs/dbraw/zinc/47/29/55/349472955.db2.gz DKDKEYMXSDLAOA-HNNXBMFYSA-N 2 2 288.395 0.996 20 0 CCADLP COc1ccc(CNC(=O)C[NH+]2CCC([NH3+])CC2)cc1 ZINC000092713498 349503631 /nfs/dbraw/zinc/50/36/31/349503631.db2.gz ODXAKGUTYXMQCK-UHFFFAOYSA-N 2 2 277.368 0.735 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000092950365 349512791 /nfs/dbraw/zinc/51/27/91/349512791.db2.gz IJUWDROGNCYZSP-QWHCGFSZSA-N 2 2 274.368 0.728 20 0 CCADLP COC(=O)[C@]1(OC)CC[N@H+](Cc2c[nH+]cn2C)C1 ZINC000599562126 361741062 /nfs/dbraw/zinc/74/10/62/361741062.db2.gz DHVCEQAZRCTRRG-LBPRGKRZSA-N 2 2 253.302 0.184 20 0 CCADLP COC(=O)[C@]1(OC)CC[N@@H+](Cc2c[nH+]cn2C)C1 ZINC000599562126 361741064 /nfs/dbraw/zinc/74/10/64/361741064.db2.gz DHVCEQAZRCTRRG-LBPRGKRZSA-N 2 2 253.302 0.184 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000337574114 214164676 /nfs/dbraw/zinc/16/46/76/214164676.db2.gz FEZJIRXXAJIROR-CQSZACIVSA-N 2 2 276.384 0.896 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000337574114 214164678 /nfs/dbraw/zinc/16/46/78/214164678.db2.gz FEZJIRXXAJIROR-CQSZACIVSA-N 2 2 276.384 0.896 20 0 CCADLP CSCC[C@H](C)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093193644 349531292 /nfs/dbraw/zinc/53/12/92/349531292.db2.gz FAXSGGHSUVHHCL-LBPRGKRZSA-N 2 2 273.446 0.834 20 0 CCADLP CSCC[C@H](C)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093193644 349531294 /nfs/dbraw/zinc/53/12/94/349531294.db2.gz FAXSGGHSUVHHCL-LBPRGKRZSA-N 2 2 273.446 0.834 20 0 CCADLP CCN(C(=O)CCc1[nH]cc[nH+]1)[C@@H]1CC[N@H+](C)C1 ZINC000617550749 365672254 /nfs/dbraw/zinc/67/22/54/365672254.db2.gz BXSZGSLYZZKOGT-LLVKDONJSA-N 2 2 250.346 0.895 20 0 CCADLP CCN(C(=O)CCc1[nH]cc[nH+]1)[C@@H]1CC[N@@H+](C)C1 ZINC000617550749 365672260 /nfs/dbraw/zinc/67/22/60/365672260.db2.gz BXSZGSLYZZKOGT-LLVKDONJSA-N 2 2 250.346 0.895 20 0 CCADLP CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@H]1CC[N@H+](C)C1 ZINC000617553233 365674813 /nfs/dbraw/zinc/67/48/13/365674813.db2.gz CWSSZFVNZWUYHB-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@H]1CC[N@@H+](C)C1 ZINC000617553233 365674814 /nfs/dbraw/zinc/67/48/14/365674814.db2.gz CWSSZFVNZWUYHB-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCC[NH+]1CCOCC1 ZINC000093676777 349550109 /nfs/dbraw/zinc/55/01/09/349550109.db2.gz DTUYVBCKWPLIPQ-AGUYFDCRSA-N 2 2 281.400 0.356 20 0 CCADLP CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]2C[NH3+])C1 ZINC000093697614 349551551 /nfs/dbraw/zinc/55/15/51/349551551.db2.gz SANPBTZTVPNNSC-NWDGAFQWSA-N 2 2 275.418 0.081 20 0 CCADLP CS(=O)(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H]2C[NH3+])C1 ZINC000093697614 349551555 /nfs/dbraw/zinc/55/15/55/349551555.db2.gz SANPBTZTVPNNSC-NWDGAFQWSA-N 2 2 275.418 0.081 20 0 CCADLP O=c1ccc(C[NH2+]CCC[NH+]2CCOCC2)c[nH]1 ZINC000083385151 178393097 /nfs/dbraw/zinc/39/30/97/178393097.db2.gz YVHOCVAQLCTIAV-UHFFFAOYSA-N 2 2 251.330 0.187 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)NCc1c[nH+]ccc1OC ZINC000418222449 529449170 /nfs/dbraw/zinc/44/91/70/529449170.db2.gz XEOKMTFMBDMDFH-JTQLQIEISA-N 2 2 252.318 0.627 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)c1cccs1 ZINC000080981203 282178871 /nfs/dbraw/zinc/17/88/71/282178871.db2.gz RAVNLDPICQYMIQ-NWDGAFQWSA-N 2 2 297.424 0.798 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)c1cccs1 ZINC000080981203 282178872 /nfs/dbraw/zinc/17/88/72/282178872.db2.gz RAVNLDPICQYMIQ-NWDGAFQWSA-N 2 2 297.424 0.798 20 0 CCADLP CCn1cccc(C[NH2+]Cc2c[nH+]c(N(C)C)n2C)c1=O ZINC000425344421 529539066 /nfs/dbraw/zinc/53/90/66/529539066.db2.gz SZASFRYMFGFSOF-UHFFFAOYSA-N 2 2 289.383 0.958 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000492716720 529551063 /nfs/dbraw/zinc/55/10/63/529551063.db2.gz FWCONKDLLLLQCM-IHVVCDCBSA-N 2 2 292.383 0.441 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000492716720 529551064 /nfs/dbraw/zinc/55/10/64/529551064.db2.gz FWCONKDLLLLQCM-IHVVCDCBSA-N 2 2 292.383 0.441 20 0 CCADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)NCCOc1ccccc1 ZINC000107574488 349739029 /nfs/dbraw/zinc/73/90/29/349739029.db2.gz WWENSCVHVAUNPP-KBPBESRZSA-N 2 2 289.379 0.333 20 0 CCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000106546023 349731456 /nfs/dbraw/zinc/73/14/56/349731456.db2.gz USIFPGDAUVKEBG-KBPBESRZSA-N 2 2 297.447 0.016 20 0 CCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000106546023 349731458 /nfs/dbraw/zinc/73/14/58/349731458.db2.gz USIFPGDAUVKEBG-KBPBESRZSA-N 2 2 297.447 0.016 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000108553275 349750020 /nfs/dbraw/zinc/75/00/20/349750020.db2.gz IECJWVZPXSQNLL-KBPBESRZSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000108553275 349750022 /nfs/dbraw/zinc/75/00/22/349750022.db2.gz IECJWVZPXSQNLL-KBPBESRZSA-N 2 2 298.431 0.348 20 0 CCADLP CC(C)[NH+](CC(N)=O)CC(C)C[N@H+](CC(N)=O)C(C)C ZINC000112631266 349783215 /nfs/dbraw/zinc/78/32/15/349783215.db2.gz IGMIIRZNMYFPBE-UHFFFAOYSA-N 2 2 286.420 0.014 20 0 CCADLP CC(C)[NH+](CC(N)=O)CC(C)C[N@@H+](CC(N)=O)C(C)C ZINC000112631266 349783218 /nfs/dbraw/zinc/78/32/18/349783218.db2.gz IGMIIRZNMYFPBE-UHFFFAOYSA-N 2 2 286.420 0.014 20 0 CCADLP COC(=O)c1cnc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cn1 ZINC000600706996 362038946 /nfs/dbraw/zinc/03/89/46/362038946.db2.gz WHOWNYQUQRKHQS-MNOVXSKESA-N 2 2 278.356 0.822 20 0 CCADLP COC(=O)c1cnc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cn1 ZINC000600706996 362038951 /nfs/dbraw/zinc/03/89/51/362038951.db2.gz WHOWNYQUQRKHQS-MNOVXSKESA-N 2 2 278.356 0.822 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000273152748 192059741 /nfs/dbraw/zinc/05/97/41/192059741.db2.gz ZDMTZKKNFNFAIA-STQMWFEESA-N 2 2 280.372 0.356 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000273152746 192059768 /nfs/dbraw/zinc/05/97/68/192059768.db2.gz ZDMTZKKNFNFAIA-QWHCGFSZSA-N 2 2 280.372 0.356 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000600949961 362096900 /nfs/dbraw/zinc/09/69/00/362096900.db2.gz ASGCTLHKNUUZBN-NEPJUHHUSA-N 2 2 250.346 0.872 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000600949961 362096904 /nfs/dbraw/zinc/09/69/04/362096904.db2.gz ASGCTLHKNUUZBN-NEPJUHHUSA-N 2 2 250.346 0.872 20 0 CCADLP C[NH+]1CCN(CC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CC1 ZINC000600980988 362115314 /nfs/dbraw/zinc/11/53/14/362115314.db2.gz QIWOAKKJOPPEAN-ZDUSSCGKSA-N 2 2 291.399 0.711 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)CC2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000617728524 365739138 /nfs/dbraw/zinc/73/91/38/365739138.db2.gz VJLKMZLTJMIUMR-KBPBESRZSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)CC2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000617728524 365739141 /nfs/dbraw/zinc/73/91/41/365739141.db2.gz VJLKMZLTJMIUMR-KBPBESRZSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCCC[NH+]1C ZINC000600999602 362122278 /nfs/dbraw/zinc/12/22/78/362122278.db2.gz BGTVNYHRVGDWRW-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCCC[NH+]1C ZINC000600999602 362122282 /nfs/dbraw/zinc/12/22/82/362122282.db2.gz BGTVNYHRVGDWRW-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000600999602 362122289 /nfs/dbraw/zinc/12/22/89/362122289.db2.gz BGTVNYHRVGDWRW-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC000600999602 362122296 /nfs/dbraw/zinc/12/22/96/362122296.db2.gz BGTVNYHRVGDWRW-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP CCC(CC)[C@H](C(=O)NC[C@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000178761560 282254949 /nfs/dbraw/zinc/25/49/49/282254949.db2.gz MJUVTNRNXFRKGP-HUUCEWRRSA-N 2 2 297.443 0.992 20 0 CCADLP CCC(CC)[C@H](C(=O)N[C@H](C[NH3+])C1CC1)[NH+]1CCOCC1 ZINC000159204092 282256470 /nfs/dbraw/zinc/25/64/70/282256470.db2.gz NTSOQZRZRKSPIY-HUUCEWRRSA-N 2 2 297.443 0.977 20 0 CCADLP COC(=O)CCN1CC[C@H]([N@@H+]2CCCCC[C@H]([NH3+])C2)C1=O ZINC000601323596 362220694 /nfs/dbraw/zinc/22/06/94/362220694.db2.gz CKSAUELKTROAKS-STQMWFEESA-N 2 2 297.399 0.354 20 0 CCADLP COC(=O)CCN1CC[C@H]([N@H+]2CCCCC[C@H]([NH3+])C2)C1=O ZINC000601323596 362220698 /nfs/dbraw/zinc/22/06/98/362220698.db2.gz CKSAUELKTROAKS-STQMWFEESA-N 2 2 297.399 0.354 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1)C(=O)OC ZINC000601327171 362224587 /nfs/dbraw/zinc/22/45/87/362224587.db2.gz RVXNFVVYTFGPAJ-SFTQSGBHSA-N 2 2 299.415 0.217 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1)C(=O)OC ZINC000601327171 362224594 /nfs/dbraw/zinc/22/45/94/362224594.db2.gz RVXNFVVYTFGPAJ-SFTQSGBHSA-N 2 2 299.415 0.217 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601334119 362231144 /nfs/dbraw/zinc/23/11/44/362231144.db2.gz IQYCXRAYIAABDN-NWDGAFQWSA-N 2 2 296.415 0.685 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601334119 362231145 /nfs/dbraw/zinc/23/11/45/362231145.db2.gz IQYCXRAYIAABDN-NWDGAFQWSA-N 2 2 296.415 0.685 20 0 CCADLP CCOC(=O)CCCNC(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113516169 349815307 /nfs/dbraw/zinc/81/53/07/349815307.db2.gz ABOWWSSECGOYMC-CYBMUJFWSA-N 2 2 299.415 0.329 20 0 CCADLP CCOC(=O)CCCNC(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113516169 349815312 /nfs/dbraw/zinc/81/53/12/349815312.db2.gz ABOWWSSECGOYMC-CYBMUJFWSA-N 2 2 299.415 0.329 20 0 CCADLP CCc1nc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)co1 ZINC000617765266 365770665 /nfs/dbraw/zinc/77/06/65/365770665.db2.gz ZATIXWQIKODCIH-UHFFFAOYSA-N 2 2 282.388 0.850 20 0 CCADLP CCc1nc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)co1 ZINC000617765266 365770674 /nfs/dbraw/zinc/77/06/74/365770674.db2.gz ZATIXWQIKODCIH-UHFFFAOYSA-N 2 2 282.388 0.850 20 0 CCADLP C[C@H]1OCC[C@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764741 365768120 /nfs/dbraw/zinc/76/81/20/365768120.db2.gz DUDGGXDPRYNBML-CHWSQXEVSA-N 2 2 271.405 0.411 20 0 CCADLP C[C@H]1OCC[C@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764741 365768124 /nfs/dbraw/zinc/76/81/24/365768124.db2.gz DUDGGXDPRYNBML-CHWSQXEVSA-N 2 2 271.405 0.411 20 0 CCADLP CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000449574091 529749425 /nfs/dbraw/zinc/74/94/25/529749425.db2.gz TUJBSZHDMSFEHO-CDMJZVDBSA-N 2 2 284.363 0.933 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC000617765199 365771221 /nfs/dbraw/zinc/77/12/21/365771221.db2.gz XAMNDJTZNMIULM-AWEZNQCLSA-N 3 2 284.448 0.470 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC000617765199 365771226 /nfs/dbraw/zinc/77/12/26/365771226.db2.gz XAMNDJTZNMIULM-AWEZNQCLSA-N 3 2 284.448 0.470 20 0 CCADLP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000617765199 365771231 /nfs/dbraw/zinc/77/12/31/365771231.db2.gz XAMNDJTZNMIULM-AWEZNQCLSA-N 3 2 284.448 0.470 20 0 CCADLP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000617765199 365771235 /nfs/dbraw/zinc/77/12/35/365771235.db2.gz XAMNDJTZNMIULM-AWEZNQCLSA-N 3 2 284.448 0.470 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C1 ZINC000423742152 529784126 /nfs/dbraw/zinc/78/41/26/529784126.db2.gz IONFONDSPQFAST-KCQAQPDRSA-N 2 2 281.400 0.213 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C1 ZINC000423742152 529784127 /nfs/dbraw/zinc/78/41/27/529784127.db2.gz IONFONDSPQFAST-KCQAQPDRSA-N 2 2 281.400 0.213 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)n1C ZINC000425355380 529807871 /nfs/dbraw/zinc/80/78/71/529807871.db2.gz ONCNZLVDCCGFLO-CYZMBNFOSA-N 2 2 264.373 0.689 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)n1C ZINC000425355380 529807872 /nfs/dbraw/zinc/80/78/72/529807872.db2.gz ONCNZLVDCCGFLO-CYZMBNFOSA-N 2 2 264.373 0.689 20 0 CCADLP CN1C[C@H](C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)OC1=O ZINC000495654874 529825991 /nfs/dbraw/zinc/82/59/91/529825991.db2.gz VHJOZJBEHUJGJX-CHWSQXEVSA-N 2 2 283.372 0.091 20 0 CCADLP CN1C[C@H](C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)OC1=O ZINC000495654874 529825992 /nfs/dbraw/zinc/82/59/92/529825992.db2.gz VHJOZJBEHUJGJX-CHWSQXEVSA-N 2 2 283.372 0.091 20 0 CCADLP CN(CC(C)(C)C[NH3+])C(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000418121362 529844671 /nfs/dbraw/zinc/84/46/71/529844671.db2.gz WQRNVADKGDIZSB-UHFFFAOYSA-N 2 2 298.431 0.478 20 0 CCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493694335 529909276 /nfs/dbraw/zinc/90/92/76/529909276.db2.gz OJJACFWIYXLXTN-PLNGDYQASA-N 2 2 292.383 0.992 20 0 CCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493694335 529909277 /nfs/dbraw/zinc/90/92/77/529909277.db2.gz OJJACFWIYXLXTN-PLNGDYQASA-N 2 2 292.383 0.992 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000423749290 529911273 /nfs/dbraw/zinc/91/12/73/529911273.db2.gz RLGHMPCMXGFRIN-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000423747024 529911276 /nfs/dbraw/zinc/91/12/76/529911276.db2.gz OOCXSAAKBPLVJH-AWEZNQCLSA-N 2 2 269.389 0.309 20 0 CCADLP C[NH2+]CCCNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000418275453 529967773 /nfs/dbraw/zinc/96/77/73/529967773.db2.gz CYHKIXLKIJDDPW-UHFFFAOYSA-N 2 2 291.399 0.518 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000417926495 529997356 /nfs/dbraw/zinc/99/73/56/529997356.db2.gz ORZKWSIRRIGFOI-QWHCGFSZSA-N 2 2 291.399 0.815 20 0 CCADLP C[C@H](O)CNc1cc(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)nc[nH+]1 ZINC000298863241 232006470 /nfs/dbraw/zinc/00/64/70/232006470.db2.gz JQUUAOMRSPXQKV-TUAOUCFPSA-N 2 2 279.388 0.798 20 0 CCADLP C[C@H](O)CNc1cc(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)nc[nH+]1 ZINC000298863241 232006472 /nfs/dbraw/zinc/00/64/72/232006472.db2.gz JQUUAOMRSPXQKV-TUAOUCFPSA-N 2 2 279.388 0.798 20 0 CCADLP COC(=O)c1cc(C[NH+]2CCC([NH2+]CCO)CC2)c[nH]1 ZINC000602021622 362461314 /nfs/dbraw/zinc/46/13/14/362461314.db2.gz QMPZWHGXXSDHOX-UHFFFAOYSA-N 2 2 281.356 0.348 20 0 CCADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000449128428 530042204 /nfs/dbraw/zinc/04/22/04/530042204.db2.gz SGFLYMDOUWCEMA-KBPBESRZSA-N 2 2 297.443 0.990 20 0 CCADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000449128428 530042205 /nfs/dbraw/zinc/04/22/05/530042205.db2.gz SGFLYMDOUWCEMA-KBPBESRZSA-N 2 2 297.443 0.990 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C3CCOCC3)C2=O)CC[N@@H+]1C ZINC000358183204 232058375 /nfs/dbraw/zinc/05/83/75/232058375.db2.gz DYKJANQXFWNWJU-IPYPFGDCSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C3CCOCC3)C2=O)CC[N@H+]1C ZINC000358183204 232058378 /nfs/dbraw/zinc/05/83/78/232058378.db2.gz DYKJANQXFWNWJU-IPYPFGDCSA-N 2 2 295.427 0.839 20 0 CCADLP COCC[NH+]1CCC([NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)CC1 ZINC000358209381 232064489 /nfs/dbraw/zinc/06/44/89/232064489.db2.gz WTDOEOYPBLSDSG-CFVMTHIKSA-N 2 2 295.427 0.696 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C[C@@H]3CCCO3)C2)CC1 ZINC000602200172 362554951 /nfs/dbraw/zinc/55/49/51/362554951.db2.gz GKDSNRBYWQRTNN-HIFRSBDPSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C[C@@H]3CCCO3)C2)CC1 ZINC000602200172 362554954 /nfs/dbraw/zinc/55/49/54/362554954.db2.gz GKDSNRBYWQRTNN-HIFRSBDPSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000655245803 412521016 /nfs/dbraw/zinc/52/10/16/412521016.db2.gz WRVVMPGIISFBFU-BETUJISGSA-N 2 2 283.416 0.554 20 0 CCADLP CCOC(=O)c1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)[nH]1 ZINC000602526053 362658856 /nfs/dbraw/zinc/65/88/56/362658856.db2.gz NXXHQSMGGMMSTF-CYBMUJFWSA-N 2 2 295.383 0.738 20 0 CCADLP COC(C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1)OC ZINC000119498456 349939319 /nfs/dbraw/zinc/93/93/19/349939319.db2.gz VNFSEQZHRNKGDZ-UHFFFAOYSA-N 2 2 266.345 0.526 20 0 CCADLP COC(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119549919 349940942 /nfs/dbraw/zinc/94/09/42/349940942.db2.gz SRWJNGVAUVBMBE-PBWFPOADSA-N 2 2 281.400 0.402 20 0 CCADLP COC(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119549919 349940946 /nfs/dbraw/zinc/94/09/46/349940946.db2.gz SRWJNGVAUVBMBE-PBWFPOADSA-N 2 2 281.400 0.402 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)CCc2c[nH+]cn2C)CCC[N@@H+]1C ZINC000339177899 215000159 /nfs/dbraw/zinc/00/01/59/215000159.db2.gz ZYAJXXNAWQWEGN-YPMHNXCESA-N 2 2 264.373 0.952 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)CCc2c[nH+]cn2C)CCC[N@H+]1C ZINC000339177899 215000162 /nfs/dbraw/zinc/00/01/62/215000162.db2.gz ZYAJXXNAWQWEGN-YPMHNXCESA-N 2 2 264.373 0.952 20 0 CCADLP C[C@H]1[C@H](NC(=O)CCc2c[nH+]cn2C)CCC[N@@H+]1C ZINC000339177898 215001102 /nfs/dbraw/zinc/00/11/02/215001102.db2.gz ZYAJXXNAWQWEGN-WCQYABFASA-N 2 2 264.373 0.952 20 0 CCADLP C[C@H]1[C@H](NC(=O)CCc2c[nH+]cn2C)CCC[N@H+]1C ZINC000339177898 215001105 /nfs/dbraw/zinc/00/11/05/215001105.db2.gz ZYAJXXNAWQWEGN-WCQYABFASA-N 2 2 264.373 0.952 20 0 CCADLP Cc1ccncc1C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000533001483 290777557 /nfs/dbraw/zinc/77/75/57/290777557.db2.gz RGMOHXWCGIVAAD-UHFFFAOYSA-N 2 2 276.384 0.596 20 0 CCADLP CNS(=O)(=O)c1cccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000422742344 290793832 /nfs/dbraw/zinc/79/38/32/290793832.db2.gz ROFAEEZXTANGKN-BXUZGUMPSA-N 2 2 297.424 0.825 20 0 CCADLP CCN(C#N)CC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000602797364 362806560 /nfs/dbraw/zinc/80/65/60/362806560.db2.gz HIBJINMHOQCDMS-HOTGVXAUSA-N 2 2 293.459 0.747 20 0 CCADLP CCN(C#N)CC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000602797364 362806566 /nfs/dbraw/zinc/80/65/66/362806566.db2.gz HIBJINMHOQCDMS-HOTGVXAUSA-N 2 2 293.459 0.747 20 0 CCADLP CCN(C#N)CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000602799413 362807542 /nfs/dbraw/zinc/80/75/42/362807542.db2.gz SPKZDGFEURVTJK-QLFBSQMISA-N 2 2 280.416 0.973 20 0 CCADLP CCN(C#N)CC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000602799413 362807546 /nfs/dbraw/zinc/80/75/46/362807546.db2.gz SPKZDGFEURVTJK-QLFBSQMISA-N 2 2 280.416 0.973 20 0 CCADLP O=C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)NCc1ccccc1 ZINC000261541684 137007219 /nfs/dbraw/zinc/00/72/19/137007219.db2.gz GBKRHZAXYGRUEK-MRXNPFEDSA-N 2 2 273.380 0.988 20 0 CCADLP O=C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)NCc1ccccc1 ZINC000261541684 137007220 /nfs/dbraw/zinc/00/72/20/137007220.db2.gz GBKRHZAXYGRUEK-MRXNPFEDSA-N 2 2 273.380 0.988 20 0 CCADLP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261574197 137009454 /nfs/dbraw/zinc/00/94/54/137009454.db2.gz MNPHGIVTGYVSKD-NWDGAFQWSA-N 2 2 253.390 0.833 20 0 CCADLP CCC(C)(C)NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261574197 137009455 /nfs/dbraw/zinc/00/94/55/137009455.db2.gz MNPHGIVTGYVSKD-NWDGAFQWSA-N 2 2 253.390 0.833 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000261578315 137009595 /nfs/dbraw/zinc/00/95/95/137009595.db2.gz DCUVIXUSFLKTCS-STQMWFEESA-N 2 2 269.389 0.356 20 0 CCADLP CC[C@H](C(=O)N(C)CC1C[NH+](C)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000618190023 365920362 /nfs/dbraw/zinc/92/03/62/365920362.db2.gz DIEDSEXTAZQLCN-HUUCEWRRSA-N 2 2 297.443 0.896 20 0 CCADLP CC[C@H](C(=O)N(C)CC1C[NH+](C)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000618190023 365920375 /nfs/dbraw/zinc/92/03/75/365920375.db2.gz DIEDSEXTAZQLCN-HUUCEWRRSA-N 2 2 297.443 0.896 20 0 CCADLP O=C(C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)Nc1ccccc1 ZINC000261634651 137013225 /nfs/dbraw/zinc/01/32/25/137013225.db2.gz IDCIVTXMXAZAEQ-HNNXBMFYSA-N 2 2 288.395 0.605 20 0 CCADLP Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261653487 137014529 /nfs/dbraw/zinc/01/45/29/137014529.db2.gz JXRBAMYROFXHLW-RWMBFGLXSA-N 2 2 291.399 0.645 20 0 CCADLP Cc1nn(C)c(C)c1NC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261653487 137014530 /nfs/dbraw/zinc/01/45/30/137014530.db2.gz JXRBAMYROFXHLW-RWMBFGLXSA-N 2 2 291.399 0.645 20 0 CCADLP C[C@@H](C[NH3+])C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000262483126 137044480 /nfs/dbraw/zinc/04/44/80/137044480.db2.gz ZTYMSXHTWGTMJN-NSHDSACASA-N 2 2 278.356 0.129 20 0 CCADLP Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](CC[NH3+])C2)nc1 ZINC000262695566 137050643 /nfs/dbraw/zinc/05/06/43/137050643.db2.gz BDZVLJVFNFSAAS-GFCCVEGCSA-N 2 2 262.357 0.999 20 0 CCADLP Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](CC[NH3+])C2)nc1 ZINC000262695566 137050644 /nfs/dbraw/zinc/05/06/44/137050644.db2.gz BDZVLJVFNFSAAS-GFCCVEGCSA-N 2 2 262.357 0.999 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262917277 137055213 /nfs/dbraw/zinc/05/52/13/137055213.db2.gz GKMWFZNFXVGOON-DTWKUNHWSA-N 2 2 258.272 0.385 20 0 CCADLP c1cncc([C@@H]2C[NH2+]CCN2CC[NH+]2CCOCC2)c1 ZINC000261734271 137017873 /nfs/dbraw/zinc/01/78/73/137017873.db2.gz MCPVSYGJKNUAHN-HNNXBMFYSA-N 2 2 276.384 0.360 20 0 CCADLP C[C@@]1(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)CC[NH2+]C1 ZINC000261751398 137018138 /nfs/dbraw/zinc/01/81/38/137018138.db2.gz JYAQVLFNESUTGK-MRXNPFEDSA-N 3 2 280.460 0.699 20 0 CCADLP C[C@]1(C[N@@H+]2CCCC[C@H](S(C)(=O)=O)C2)CC[NH2+]C1 ZINC000261761624 137018551 /nfs/dbraw/zinc/01/85/51/137018551.db2.gz LKHBWBWKEKCKTB-STQMWFEESA-N 2 2 274.430 0.885 20 0 CCADLP C[C@]1(C[N@H+]2CCCC[C@H](S(C)(=O)=O)C2)CC[NH2+]C1 ZINC000261761624 137018552 /nfs/dbraw/zinc/01/85/52/137018552.db2.gz LKHBWBWKEKCKTB-STQMWFEESA-N 2 2 274.430 0.885 20 0 CCADLP C[C@@H]([NH3+])CC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000261793488 137020769 /nfs/dbraw/zinc/02/07/69/137020769.db2.gz KMKJXDCIYMUWQV-SSDOTTSWSA-N 2 2 264.251 0.799 20 0 CCADLP CC[C@@H]1CN(CC(C)(C)[NH3+])C[C@@H]1[NH+]1CCOCC1 ZINC000261823196 137021336 /nfs/dbraw/zinc/02/13/36/137021336.db2.gz IOIYCOTWIJANEB-OLZOCXBDSA-N 2 2 255.406 0.766 20 0 CCADLP CC[C@@H]1C[N@H+](CC(C)(C)[NH3+])C[C@@H]1N1CCOCC1 ZINC000261823196 137021337 /nfs/dbraw/zinc/02/13/37/137021337.db2.gz IOIYCOTWIJANEB-OLZOCXBDSA-N 2 2 255.406 0.766 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(C)(C)[NH3+])C[C@@H]1N1CCOCC1 ZINC000261823196 137021338 /nfs/dbraw/zinc/02/13/38/137021338.db2.gz IOIYCOTWIJANEB-OLZOCXBDSA-N 2 2 255.406 0.766 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261828407 137021400 /nfs/dbraw/zinc/02/14/00/137021400.db2.gz TZBSNBCUUVXHHE-FRRDWIJNSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261828407 137021401 /nfs/dbraw/zinc/02/14/01/137021401.db2.gz TZBSNBCUUVXHHE-FRRDWIJNSA-N 2 2 269.389 0.341 20 0 CCADLP CC[C@H]1CN(CC(C)(C)[NH3+])C[C@@H]1[NH+]1CCOCC1 ZINC000261823199 137021581 /nfs/dbraw/zinc/02/15/81/137021581.db2.gz IOIYCOTWIJANEB-STQMWFEESA-N 2 2 255.406 0.766 20 0 CCADLP CC[C@H]1C[N@H+](CC(C)(C)[NH3+])C[C@@H]1N1CCOCC1 ZINC000261823199 137021582 /nfs/dbraw/zinc/02/15/82/137021582.db2.gz IOIYCOTWIJANEB-STQMWFEESA-N 2 2 255.406 0.766 20 0 CCADLP CC[C@H]1C[N@@H+](CC(C)(C)[NH3+])C[C@@H]1N1CCOCC1 ZINC000261823199 137021583 /nfs/dbraw/zinc/02/15/83/137021583.db2.gz IOIYCOTWIJANEB-STQMWFEESA-N 2 2 255.406 0.766 20 0 CCADLP C[C@@H]1C[N@H+](CC(C)(C)[NH3+])CC[C@@H]1N1CC[NH+](C)CC1 ZINC000261914689 137025524 /nfs/dbraw/zinc/02/55/24/137025524.db2.gz JSJLFZJOLIYKLS-KGLIPLIRSA-N 3 2 268.449 0.682 20 0 CCADLP C[C@@H]1C[N@@H+](CC(C)(C)[NH3+])CC[C@@H]1N1CC[NH+](C)CC1 ZINC000261914689 137025525 /nfs/dbraw/zinc/02/55/25/137025525.db2.gz JSJLFZJOLIYKLS-KGLIPLIRSA-N 3 2 268.449 0.682 20 0 CCADLP C[C@]1(C[NH+]2CCN(Cc3ncc[nH]3)CC2)CC[NH2+]C1 ZINC000261975325 137027093 /nfs/dbraw/zinc/02/70/93/137027093.db2.gz IRXJPGGKUOKFRP-AWEZNQCLSA-N 2 2 263.389 0.527 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000261979128 137027104 /nfs/dbraw/zinc/02/71/04/137027104.db2.gz VYJXONFAQRPYJL-STQMWFEESA-N 2 2 281.400 0.213 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000261979128 137027105 /nfs/dbraw/zinc/02/71/05/137027105.db2.gz VYJXONFAQRPYJL-STQMWFEESA-N 2 2 281.400 0.213 20 0 CCADLP C[C@@H]1C[N@H+](Cc2ccccc2OCC(=O)N(C)C)C[C@H]1[NH3+] ZINC000262009275 137028490 /nfs/dbraw/zinc/02/84/90/137028490.db2.gz MENZLLXMZTZDLE-TZMCWYRMSA-N 2 2 291.395 0.933 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2ccccc2OCC(=O)N(C)C)C[C@H]1[NH3+] ZINC000262009275 137028491 /nfs/dbraw/zinc/02/84/91/137028491.db2.gz MENZLLXMZTZDLE-TZMCWYRMSA-N 2 2 291.395 0.933 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H](C)CO)CC1 ZINC000342506335 137097913 /nfs/dbraw/zinc/09/79/13/137097913.db2.gz YVJYQTIFDIFGLL-GFCCVEGCSA-N 2 2 272.389 0.622 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCNC(=O)c1ccccc1 ZINC000343165841 137118885 /nfs/dbraw/zinc/11/88/85/137118885.db2.gz VNVWHAHXLATOAK-JSGCOSHPSA-N 2 2 261.369 0.956 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCNC(=O)c1ccccc1 ZINC000343165841 137118886 /nfs/dbraw/zinc/11/88/86/137118886.db2.gz VNVWHAHXLATOAK-JSGCOSHPSA-N 2 2 261.369 0.956 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000618196336 365928581 /nfs/dbraw/zinc/92/85/81/365928581.db2.gz SMYCUTSHFXBKAP-UHFFFAOYSA-N 2 2 272.352 0.897 20 0 CCADLP C[NH+](C)CCn1ccc(=NC(=O)CCc2[nH]cc[nH+]2)[nH]1 ZINC000343284344 137124370 /nfs/dbraw/zinc/12/43/70/137124370.db2.gz RMEPYBGHSURVNI-UHFFFAOYSA-N 2 2 276.344 0.161 20 0 CCADLP CCN(CCC[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C)S(C)(=O)=O ZINC000343382696 137131712 /nfs/dbraw/zinc/13/17/12/137131712.db2.gz GZQGYAWKQZLDSE-CHWSQXEVSA-N 2 2 291.461 0.588 20 0 CCADLP CCN(CCC[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C)S(C)(=O)=O ZINC000343382696 137131713 /nfs/dbraw/zinc/13/17/13/137131713.db2.gz GZQGYAWKQZLDSE-CHWSQXEVSA-N 2 2 291.461 0.588 20 0 CCADLP COc1ccc(F)c(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000339349519 215112511 /nfs/dbraw/zinc/11/25/11/215112511.db2.gz QJQMLRKHWFNKMS-AWEZNQCLSA-N 2 2 268.332 0.991 20 0 CCADLP COc1ccc(F)c(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000339349519 215112512 /nfs/dbraw/zinc/11/25/12/215112512.db2.gz QJQMLRKHWFNKMS-AWEZNQCLSA-N 2 2 268.332 0.991 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)N(C)CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000344181731 137181711 /nfs/dbraw/zinc/18/17/11/137181711.db2.gz ZBISQPHSQMNSMI-KGLIPLIRSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)N(C)CC[NH+]2CCOCC2)CC[N@H+]1C ZINC000344181731 137181712 /nfs/dbraw/zinc/18/17/12/137181712.db2.gz ZBISQPHSQMNSMI-KGLIPLIRSA-N 2 2 283.416 0.507 20 0 CCADLP C[NH2+]CCCC(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000573798430 334966633 /nfs/dbraw/zinc/96/66/33/334966633.db2.gz GPGSFWJORWIDFQ-UHFFFAOYSA-N 2 2 279.388 0.064 20 0 CCADLP CC(C)(CNC(=O)CC[NH2+]C1CC1)[NH+]1CCOCC1 ZINC000040805243 348242656 /nfs/dbraw/zinc/24/26/56/348242656.db2.gz PYLWRMBPJJFUBR-UHFFFAOYSA-N 2 2 269.389 0.356 20 0 CCADLP CSCC[C@H]([NH3+])C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000040462027 348234957 /nfs/dbraw/zinc/23/49/57/348234957.db2.gz GCZQQZRPFHBGSZ-ZJUUUORDSA-N 2 2 256.375 0.468 20 0 CCADLP C[C@@H](CC[NH+]1CCOCC1)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000345745435 137250003 /nfs/dbraw/zinc/25/00/03/137250003.db2.gz VCAWKDHPURCOOI-WDEREUQCSA-N 2 2 291.342 0.211 20 0 CCADLP O=C(CC[C@@H]1CCC[NH2+]C1)NCCn1cc[nH+]c1 ZINC000043591343 348311465 /nfs/dbraw/zinc/31/14/65/348311465.db2.gz GLCAQXZBNMSQRK-LBPRGKRZSA-N 2 2 250.346 0.779 20 0 CCADLP O=C(COCc1[nH]cc[nH+]1)NC1CC[NH+](C2CC2)CC1 ZINC000346724581 137302616 /nfs/dbraw/zinc/30/26/16/137302616.db2.gz PHPUEOGFGQGCQH-UHFFFAOYSA-N 2 2 278.356 0.669 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000684458131 545673976 /nfs/dbraw/zinc/67/39/76/545673976.db2.gz MGAZUPKYEPPZNF-ZDUSSCGKSA-N 2 2 278.356 0.275 20 0 CCADLP COCC[NH+]1CCN(Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000347650314 137347777 /nfs/dbraw/zinc/34/77/77/137347777.db2.gz JNSDZIAGQIOAQM-UHFFFAOYSA-N 2 2 298.456 0.969 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000347728011 137353035 /nfs/dbraw/zinc/35/30/35/137353035.db2.gz CHIBIQDZFBTXNJ-AWEZNQCLSA-N 2 2 278.400 0.617 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000347728011 137353036 /nfs/dbraw/zinc/35/30/36/137353036.db2.gz CHIBIQDZFBTXNJ-AWEZNQCLSA-N 2 2 278.400 0.617 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)C1 ZINC000347812334 137358776 /nfs/dbraw/zinc/35/87/76/137358776.db2.gz QEVSVYXVKIGPAH-GDBMZVCRSA-N 3 2 282.476 0.942 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)C1 ZINC000347812334 137358777 /nfs/dbraw/zinc/35/87/77/137358777.db2.gz QEVSVYXVKIGPAH-GDBMZVCRSA-N 3 2 282.476 0.942 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)CCOC3C[NH2+]C3)cn21 ZINC000348990166 137382452 /nfs/dbraw/zinc/38/24/52/137382452.db2.gz DQXHNIWEXZIFRV-UHFFFAOYSA-N 2 2 288.351 0.637 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)CCOC3C[NH2+]C3)cn2c1 ZINC000349001645 137383858 /nfs/dbraw/zinc/38/38/58/137383858.db2.gz OIDTWGDXBUZEEH-UHFFFAOYSA-N 2 2 288.351 0.637 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000051762883 348493967 /nfs/dbraw/zinc/49/39/67/348493967.db2.gz FJDRKVFQRWCMSH-OAHLLOKOSA-N 2 2 291.395 0.426 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+](CCO)Cc2ccccc2)CC1 ZINC000049752704 348458720 /nfs/dbraw/zinc/45/87/20/348458720.db2.gz XJKHFDYFPURTME-UHFFFAOYSA-N 2 2 291.395 0.255 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+](CCO)Cc2ccccc2)CC1 ZINC000049752704 348458725 /nfs/dbraw/zinc/45/87/25/348458725.db2.gz XJKHFDYFPURTME-UHFFFAOYSA-N 2 2 291.395 0.255 20 0 CCADLP COc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cn1 ZINC000062070684 348662776 /nfs/dbraw/zinc/66/27/76/348662776.db2.gz PWRBXFYIHYZGPL-CYBMUJFWSA-N 2 2 265.357 0.637 20 0 CCADLP CCCC[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000062976870 348674236 /nfs/dbraw/zinc/67/42/36/348674236.db2.gz MFASGDOPMBBJBU-CHWSQXEVSA-N 2 2 269.389 0.437 20 0 CCADLP CC(C)C(=O)NCC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000070142763 348873084 /nfs/dbraw/zinc/87/30/84/348873084.db2.gz BSCUCUFPLJDRDI-UHFFFAOYSA-N 2 2 267.377 0.348 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070149975 348873636 /nfs/dbraw/zinc/87/36/36/348873636.db2.gz WVWVFZDBDMSRAB-LLVKDONJSA-N 2 2 284.404 0.814 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070149975 348873637 /nfs/dbraw/zinc/87/36/37/348873637.db2.gz WVWVFZDBDMSRAB-LLVKDONJSA-N 2 2 284.404 0.814 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000070173903 348876579 /nfs/dbraw/zinc/87/65/79/348876579.db2.gz WUKPCEIVOOZYPL-NWDGAFQWSA-N 2 2 296.415 0.814 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000070173903 348876582 /nfs/dbraw/zinc/87/65/82/348876582.db2.gz WUKPCEIVOOZYPL-NWDGAFQWSA-N 2 2 296.415 0.814 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000072858530 348935866 /nfs/dbraw/zinc/93/58/66/348935866.db2.gz XPRIFIJCMWRIQT-CYBMUJFWSA-N 2 2 299.415 0.282 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000072858530 348935869 /nfs/dbraw/zinc/93/58/69/348935869.db2.gz XPRIFIJCMWRIQT-CYBMUJFWSA-N 2 2 299.415 0.282 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000072858530 348935871 /nfs/dbraw/zinc/93/58/71/348935871.db2.gz XPRIFIJCMWRIQT-CYBMUJFWSA-N 2 2 299.415 0.282 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000072858530 348935874 /nfs/dbraw/zinc/93/58/74/348935874.db2.gz XPRIFIJCMWRIQT-CYBMUJFWSA-N 2 2 299.415 0.282 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071146746 348904873 /nfs/dbraw/zinc/90/48/73/348904873.db2.gz GUYBDYPMFARJOR-LLVKDONJSA-N 2 2 270.377 0.154 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000071146746 348904876 /nfs/dbraw/zinc/90/48/76/348904876.db2.gz GUYBDYPMFARJOR-LLVKDONJSA-N 2 2 270.377 0.154 20 0 CCADLP CNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835798 349053281 /nfs/dbraw/zinc/05/32/81/349053281.db2.gz ZJKGCVHRBXZGOO-GFCCVEGCSA-N 2 2 282.388 0.250 20 0 CCADLP CNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835798 349053285 /nfs/dbraw/zinc/05/32/85/349053285.db2.gz ZJKGCVHRBXZGOO-GFCCVEGCSA-N 2 2 282.388 0.250 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)CC1 ZINC000339616385 215270211 /nfs/dbraw/zinc/27/02/11/215270211.db2.gz YQLQZOLUFJRPBC-QLFBSQMISA-N 2 2 296.459 0.563 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)CC1 ZINC000339616385 215270213 /nfs/dbraw/zinc/27/02/13/215270213.db2.gz YQLQZOLUFJRPBC-QLFBSQMISA-N 2 2 296.459 0.563 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000081014895 349239971 /nfs/dbraw/zinc/23/99/71/349239971.db2.gz WHVQWUAOXVQXGX-GFCCVEGCSA-N 2 2 266.345 0.028 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000081014895 349239975 /nfs/dbraw/zinc/23/99/75/349239975.db2.gz WHVQWUAOXVQXGX-GFCCVEGCSA-N 2 2 266.345 0.028 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961199 349235615 /nfs/dbraw/zinc/23/56/15/349235615.db2.gz ZBEOBJNVSQRDPN-NSHDSACASA-N 2 2 293.371 0.825 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961199 349235617 /nfs/dbraw/zinc/23/56/17/349235617.db2.gz ZBEOBJNVSQRDPN-NSHDSACASA-N 2 2 293.371 0.825 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959996 349235747 /nfs/dbraw/zinc/23/57/47/349235747.db2.gz BEWASJKSAYXUNS-IUCAKERBSA-N 2 2 265.317 0.173 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959996 349235750 /nfs/dbraw/zinc/23/57/50/349235750.db2.gz BEWASJKSAYXUNS-IUCAKERBSA-N 2 2 265.317 0.173 20 0 CCADLP NC(=O)NC(=O)CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080984974 349237312 /nfs/dbraw/zinc/23/73/12/349237312.db2.gz XATSEQJAIVCVPZ-VIFPVBQESA-N 2 2 265.317 0.174 20 0 CCADLP NC(=O)NC(=O)CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080984974 349237314 /nfs/dbraw/zinc/23/73/14/349237314.db2.gz XATSEQJAIVCVPZ-VIFPVBQESA-N 2 2 265.317 0.174 20 0 CCADLP C[C@@H]1C[N@H+](CCN2C[C@H](C)[NH+](C)[C@@H](C)C2)CCO1 ZINC000339627082 215276458 /nfs/dbraw/zinc/27/64/58/215276458.db2.gz DYPDDIOXBABFBO-MELADBBJSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2C[C@H](C)[NH+](C)[C@@H](C)C2)CCO1 ZINC000339627082 215276459 /nfs/dbraw/zinc/27/64/59/215276459.db2.gz DYPDDIOXBABFBO-MELADBBJSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@H](C[NH2+][C@@H](C)CS(C)(=O)=O)C[NH+]1CCCC1 ZINC000081901163 349287624 /nfs/dbraw/zinc/28/76/24/349287624.db2.gz SJEQHDLDUQYNLD-NEPJUHHUSA-N 2 2 262.419 0.741 20 0 CCADLP C[NH+](C)CCN(C(=O)[C@H]1C[N@H+](C)CCO1)c1ccccc1 ZINC000081305272 349256995 /nfs/dbraw/zinc/25/69/95/349256995.db2.gz VKKYZGWBZGNDPE-OAHLLOKOSA-N 2 2 291.395 0.912 20 0 CCADLP C[NH+](C)CCN(C(=O)[C@H]1C[N@@H+](C)CCO1)c1ccccc1 ZINC000081305272 349256998 /nfs/dbraw/zinc/25/69/98/349256998.db2.gz VKKYZGWBZGNDPE-OAHLLOKOSA-N 2 2 291.395 0.912 20 0 CCADLP CC(C)[NH+]1CCC([NH2+][C@H](C)CS(C)(=O)=O)CC1 ZINC000081899181 349287441 /nfs/dbraw/zinc/28/74/41/349287441.db2.gz LMHHMDOBEZWOLT-LLVKDONJSA-N 2 2 262.419 0.882 20 0 CCADLP CN(C)c1nc(NCC[NH+]2CCOCC2)cc[nH+]1 ZINC000085435782 349333889 /nfs/dbraw/zinc/33/38/89/349333889.db2.gz JXSSOIMKAUHTIF-UHFFFAOYSA-N 2 2 251.334 0.287 20 0 CCADLP O=C(Nc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1COCC[NH2+]1 ZINC000088358709 349361903 /nfs/dbraw/zinc/36/19/03/349361903.db2.gz DXXFZEZZJYHOKI-NSHDSACASA-N 2 2 273.296 0.194 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000120991184 350016844 /nfs/dbraw/zinc/01/68/44/350016844.db2.gz DEHCMKQLDRYERM-UHFFFAOYSA-N 2 2 294.355 0.439 20 0 CCADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+]([C@@H]2CCOC2=O)C1 ZINC000090003708 349419760 /nfs/dbraw/zinc/41/97/60/349419760.db2.gz FUSAZBGWXSBKAM-NWDGAFQWSA-N 2 2 263.341 0.990 20 0 CCADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+]([C@@H]2CCOC2=O)C1 ZINC000090003708 349419768 /nfs/dbraw/zinc/41/97/68/349419768.db2.gz FUSAZBGWXSBKAM-NWDGAFQWSA-N 2 2 263.341 0.990 20 0 CCADLP Cc1ccc(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000122565560 350066488 /nfs/dbraw/zinc/06/64/88/350066488.db2.gz MNLUUKXWHJUGLQ-CQSZACIVSA-N 2 2 261.369 0.639 20 0 CCADLP Cc1ccc(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000122565560 350066490 /nfs/dbraw/zinc/06/64/90/350066490.db2.gz MNLUUKXWHJUGLQ-CQSZACIVSA-N 2 2 261.369 0.639 20 0 CCADLP CCc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000122652048 350068336 /nfs/dbraw/zinc/06/83/36/350068336.db2.gz LNCGIFHTAFJZFI-CQSZACIVSA-N 2 2 261.369 0.964 20 0 CCADLP CCc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000122652048 350068339 /nfs/dbraw/zinc/06/83/39/350068339.db2.gz LNCGIFHTAFJZFI-CQSZACIVSA-N 2 2 261.369 0.964 20 0 CCADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NCC2CC2)CC[N@@H+]1C ZINC000123857484 350084498 /nfs/dbraw/zinc/08/44/98/350084498.db2.gz QOMAXTWKNYTTIK-YPMHNXCESA-N 2 2 253.390 0.927 20 0 CCADLP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NCC2CC2)CC[N@H+]1C ZINC000123857484 350084499 /nfs/dbraw/zinc/08/44/99/350084499.db2.gz QOMAXTWKNYTTIK-YPMHNXCESA-N 2 2 253.390 0.927 20 0 CCADLP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)NCC2CC2)CC[NH+]1C ZINC000123857484 350084501 /nfs/dbraw/zinc/08/45/01/350084501.db2.gz QOMAXTWKNYTTIK-YPMHNXCESA-N 2 2 253.390 0.927 20 0 CCADLP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NCC2CC2)CC[NH+]1C ZINC000123857484 350084503 /nfs/dbraw/zinc/08/45/03/350084503.db2.gz QOMAXTWKNYTTIK-YPMHNXCESA-N 2 2 253.390 0.927 20 0 CCADLP O=C(C[C@@H]1CSCC[NH2+]1)NCCn1cc[nH+]c1 ZINC000091138475 180105388 /nfs/dbraw/zinc/10/53/88/180105388.db2.gz KHGRCKBGEHQDHW-SNVBAGLBSA-N 2 2 254.359 0.094 20 0 CCADLP C[NH+](C)[C@H]1CCCN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000105063559 186039575 /nfs/dbraw/zinc/03/95/75/186039575.db2.gz SZKVLNVFAIQUIQ-ZDUSSCGKSA-N 2 2 284.404 0.054 20 0 CCADLP O=C1CCCN1CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129470816 350214927 /nfs/dbraw/zinc/21/49/27/350214927.db2.gz QMWYBFRHIRLPKN-CQSZACIVSA-N 2 2 281.400 0.263 20 0 CCADLP O=C1CCCN1CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129470816 350214929 /nfs/dbraw/zinc/21/49/29/350214929.db2.gz QMWYBFRHIRLPKN-CQSZACIVSA-N 2 2 281.400 0.263 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccon1 ZINC000130326784 350234838 /nfs/dbraw/zinc/23/48/38/350234838.db2.gz HHTQSCYFNSDKSZ-UHFFFAOYSA-N 2 2 280.372 0.773 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccon1 ZINC000130326784 350234842 /nfs/dbraw/zinc/23/48/42/350234842.db2.gz HHTQSCYFNSDKSZ-UHFFFAOYSA-N 2 2 280.372 0.773 20 0 CCADLP CCC(=O)N[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000130920053 350254612 /nfs/dbraw/zinc/25/46/12/350254612.db2.gz GZDJWJMUYFPMEF-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP CCC(=O)N[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000130920053 350254614 /nfs/dbraw/zinc/25/46/14/350254614.db2.gz GZDJWJMUYFPMEF-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCc2ccccn2)[C@@H](C[NH3+])C1 ZINC000132841694 350318189 /nfs/dbraw/zinc/31/81/89/350318189.db2.gz YXUWMSYYYDNAIW-ZDUSSCGKSA-N 2 2 262.357 0.116 20 0 CCADLP C[N@H+]1CCN(C(=O)CCc2ccccn2)[C@@H](C[NH3+])C1 ZINC000132841694 350318191 /nfs/dbraw/zinc/31/81/91/350318191.db2.gz YXUWMSYYYDNAIW-ZDUSSCGKSA-N 2 2 262.357 0.116 20 0 CCADLP CC[C@]1(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CCC[NH2+]1 ZINC000134560553 350369042 /nfs/dbraw/zinc/36/90/42/350369042.db2.gz QJSNRAKIDQCVBF-GOEBONIOSA-N 2 2 297.443 0.992 20 0 CCADLP COc1c(N)[nH+]cnc1N(C)C[C@@H]1CCC[N@@H+]1C ZINC000134917999 350379505 /nfs/dbraw/zinc/37/95/05/350379505.db2.gz RUFKCMWYFBZRJC-VIFPVBQESA-N 2 2 251.334 0.598 20 0 CCADLP COc1c(N)[nH+]cnc1N(C)C[C@@H]1CCC[N@H+]1C ZINC000134917999 350379506 /nfs/dbraw/zinc/37/95/06/350379506.db2.gz RUFKCMWYFBZRJC-VIFPVBQESA-N 2 2 251.334 0.598 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000145486846 350464727 /nfs/dbraw/zinc/46/47/27/350464727.db2.gz QEQLNUHRZOMBPV-QJPTWQEYSA-N 2 2 257.378 0.197 20 0 CCADLP CC(C)[C@@H](CNC(=O)C1([NH3+])CCC1)[NH+]1CCN(C)CC1 ZINC000148078186 350472246 /nfs/dbraw/zinc/47/22/46/350472246.db2.gz IGLLASUJQQEIHH-CYBMUJFWSA-N 2 2 282.432 0.256 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000335642304 212358117 /nfs/dbraw/zinc/35/81/17/212358117.db2.gz YLRSLPGWXVFOAF-QWRGUYRKSA-N 2 2 265.361 0.795 20 0 CCADLP CC1CCN(C(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000107579370 186181051 /nfs/dbraw/zinc/18/10/51/186181051.db2.gz RAILJPPPVCXSCZ-BETUJISGSA-N 2 2 251.374 0.396 20 0 CCADLP CC1CCN(C(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000107579370 186181052 /nfs/dbraw/zinc/18/10/52/186181052.db2.gz RAILJPPPVCXSCZ-BETUJISGSA-N 2 2 251.374 0.396 20 0 CCADLP C[NH+](C)CC(=O)NCCCCNc1cccc[nH+]1 ZINC000109627968 186268944 /nfs/dbraw/zinc/26/89/44/186268944.db2.gz OFHMIUSUVKTDGI-UHFFFAOYSA-N 2 2 250.346 0.952 20 0 CCADLP CS(=O)(=O)CCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109792985 186271492 /nfs/dbraw/zinc/27/14/92/186271492.db2.gz PPIWYJFKYARCQB-UHFFFAOYSA-N 2 2 271.386 0.955 20 0 CCADLP C[N@@H+]1CC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000109849287 186276162 /nfs/dbraw/zinc/27/61/62/186276162.db2.gz JPIREIXKSXCNSZ-GFCCVEGCSA-N 2 2 285.351 0.949 20 0 CCADLP C[N@H+]1CC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000109849287 186276164 /nfs/dbraw/zinc/27/61/64/186276164.db2.gz JPIREIXKSXCNSZ-GFCCVEGCSA-N 2 2 285.351 0.949 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCCOc2cccnc2)[C@H](C[NH3+])C1 ZINC000162632275 350747782 /nfs/dbraw/zinc/74/77/82/350747782.db2.gz XDRQBTSZCOKSGX-CYBMUJFWSA-N 2 2 292.383 0.342 20 0 CCADLP C[N@H+]1CCN(C(=O)CCCOc2cccnc2)[C@H](C[NH3+])C1 ZINC000162632275 350747788 /nfs/dbraw/zinc/74/77/88/350747788.db2.gz XDRQBTSZCOKSGX-CYBMUJFWSA-N 2 2 292.383 0.342 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000164469104 350779301 /nfs/dbraw/zinc/77/93/01/350779301.db2.gz AUGPZLVDRPZDCZ-UHFFFAOYSA-N 2 2 291.395 0.940 20 0 CCADLP C[C@@H]([NH3+])C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000164786301 350783096 /nfs/dbraw/zinc/78/30/96/350783096.db2.gz DOFQNEZDESVKBB-LLVKDONJSA-N 2 2 258.325 0.895 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2)CCO1 ZINC000165073751 350786786 /nfs/dbraw/zinc/78/67/86/350786786.db2.gz NDYFRNZLXQWJEV-CYBMUJFWSA-N 2 2 263.341 0.675 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2)CCO1 ZINC000165073751 350786789 /nfs/dbraw/zinc/78/67/89/350786789.db2.gz NDYFRNZLXQWJEV-CYBMUJFWSA-N 2 2 263.341 0.675 20 0 CCADLP CC(C)[C@H](CNC(=O)C[NH+](C)C)[NH+]1CCOCC1 ZINC000170750739 350856886 /nfs/dbraw/zinc/85/68/86/350856886.db2.gz CBUNCHDDQALOBZ-LBPRGKRZSA-N 2 2 257.378 0.021 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170843984 350866840 /nfs/dbraw/zinc/86/68/40/350866840.db2.gz MRTZWKINDNULFT-SNVBAGLBSA-N 2 2 292.339 0.191 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000175002023 351114639 /nfs/dbraw/zinc/11/46/39/351114639.db2.gz VMUKNTDGJXAGQF-GFCCVEGCSA-N 2 2 278.356 0.330 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000175002023 351114642 /nfs/dbraw/zinc/11/46/42/351114642.db2.gz VMUKNTDGJXAGQF-GFCCVEGCSA-N 2 2 278.356 0.330 20 0 CCADLP C[NH+](C)CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000174503697 351088594 /nfs/dbraw/zinc/08/85/94/351088594.db2.gz JLCZTBSTURWGBE-UHFFFAOYSA-N 3 2 296.459 0.615 20 0 CCADLP CN1CCC(CNC(=O)C[NH+](C)C)([NH+]2CCCCC2)CC1 ZINC000174503697 351088597 /nfs/dbraw/zinc/08/85/97/351088597.db2.gz JLCZTBSTURWGBE-UHFFFAOYSA-N 2 2 296.459 0.615 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000178744864 351243335 /nfs/dbraw/zinc/24/33/35/351243335.db2.gz DTMMVJCHFXXQCI-NWDGAFQWSA-N 2 2 271.405 0.587 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000178744864 351243337 /nfs/dbraw/zinc/24/33/37/351243337.db2.gz DTMMVJCHFXXQCI-NWDGAFQWSA-N 2 2 271.405 0.587 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000178830674 351247757 /nfs/dbraw/zinc/24/77/57/351247757.db2.gz UNUFSYRDJZJCGV-CYBMUJFWSA-N 3 2 282.432 0.128 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)CCC1CC[NH2+]CC1 ZINC000179247834 351262239 /nfs/dbraw/zinc/26/22/39/351262239.db2.gz XZKABJGCUZNRJA-UHFFFAOYSA-N 2 2 297.443 0.993 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)CCC1CC[NH2+]CC1 ZINC000179247834 351262243 /nfs/dbraw/zinc/26/22/43/351262243.db2.gz XZKABJGCUZNRJA-UHFFFAOYSA-N 2 2 297.443 0.993 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C1CCC(CO)CC1 ZINC000180646235 351291026 /nfs/dbraw/zinc/29/10/26/351291026.db2.gz MWONMXFKAVPGNL-UHFFFAOYSA-N 2 2 283.416 0.243 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C1CCC(CO)CC1 ZINC000180646235 351291031 /nfs/dbraw/zinc/29/10/31/351291031.db2.gz MWONMXFKAVPGNL-UHFFFAOYSA-N 2 2 283.416 0.243 20 0 CCADLP CC(C)C[C@H]1OCCC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000186393619 351494248 /nfs/dbraw/zinc/49/42/48/351494248.db2.gz XPNXDWOCMOHPJX-HUUCEWRRSA-N 2 2 297.443 0.944 20 0 CCADLP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCN(c2cccc[nH+]2)CC1 ZINC000188689083 351618729 /nfs/dbraw/zinc/61/87/29/351618729.db2.gz LBCVQTPIKOWWNF-NWDGAFQWSA-N 2 2 278.331 0.430 20 0 CCADLP O=C(NCc1cccnc1-n1cc[nH+]c1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188717946 351620829 /nfs/dbraw/zinc/62/08/29/351620829.db2.gz FPVSBBBKVDLYES-NWDGAFQWSA-N 2 2 289.314 0.584 20 0 CCADLP C[C@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)Cn1cc[nH+]c1 ZINC000188734080 351623266 /nfs/dbraw/zinc/62/32/66/351623266.db2.gz DRUXJNGLAHSWOC-SNVBAGLBSA-N 2 2 288.355 0.318 20 0 CCADLP C[C@H](c1nnnn1C)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000188773124 351627360 /nfs/dbraw/zinc/62/73/60/351627360.db2.gz PMYVNDRPTQMSTO-GFCCVEGCSA-N 2 2 294.403 0.315 20 0 CCADLP C[C@H]1CC[C@@H](C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)O1 ZINC000190724864 351732451 /nfs/dbraw/zinc/73/24/51/351732451.db2.gz NBUOUXFKEXBQDF-KKUMJFAQSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@H]1CC[C@@H](C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)O1 ZINC000190724864 351732452 /nfs/dbraw/zinc/73/24/52/351732452.db2.gz NBUOUXFKEXBQDF-KKUMJFAQSA-N 2 2 295.427 0.792 20 0 CCADLP O[C@H]1COC[C@@H]1[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000205275840 351924729 /nfs/dbraw/zinc/92/47/29/351924729.db2.gz JADIHDHXSJVLMA-KBPBESRZSA-N 2 2 254.374 0.696 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000194951493 351891969 /nfs/dbraw/zinc/89/19/69/351891969.db2.gz IJIBKLXKKXQYDL-LLVKDONJSA-N 2 2 251.330 0.593 20 0 CCADLP CCN(C)C(=O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000217352677 351947010 /nfs/dbraw/zinc/94/70/10/351947010.db2.gz KSXVLCKPUPKVLA-UHFFFAOYSA-N 2 2 253.350 0.054 20 0 CCADLP C[N@@H+]1CCN(C(=O)c2cccc3nccnc32)[C@@H](C[NH3+])C1 ZINC000228296635 352073150 /nfs/dbraw/zinc/07/31/50/352073150.db2.gz GLWFSQDBYIVVOM-NSHDSACASA-N 2 2 285.351 0.345 20 0 CCADLP C[N@H+]1CCN(C(=O)c2cccc3nccnc32)[C@@H](C[NH3+])C1 ZINC000228296635 352073155 /nfs/dbraw/zinc/07/31/55/352073155.db2.gz GLWFSQDBYIVVOM-NSHDSACASA-N 2 2 285.351 0.345 20 0 CCADLP CO[C@@H]1CCC[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000226436358 352027231 /nfs/dbraw/zinc/02/72/31/352027231.db2.gz UGZYALKSKPZGLS-SECBINFHSA-N 2 2 254.334 0.874 20 0 CCADLP CO[C@@H]1CCC[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000226436358 352027235 /nfs/dbraw/zinc/02/72/35/352027235.db2.gz UGZYALKSKPZGLS-SECBINFHSA-N 2 2 254.334 0.874 20 0 CCADLP CCc1cc(NCCC[NH+]2CCC(O)CC2)nc[nH+]1 ZINC000603383279 363101545 /nfs/dbraw/zinc/10/15/45/363101545.db2.gz FWJIDVGMMNYJSZ-UHFFFAOYSA-N 2 2 264.373 0.720 20 0 CCADLP C[N@@H+]1CCO[C@H](CNc2nc(N3CCCC3)cc[nH+]2)C1 ZINC000603385115 363103559 /nfs/dbraw/zinc/10/35/59/363103559.db2.gz AHTSFJINUOWKRQ-GFCCVEGCSA-N 2 2 277.372 0.819 20 0 CCADLP C[N@H+]1CCO[C@H](CNc2nc(N3CCCC3)cc[nH+]2)C1 ZINC000603385115 363103565 /nfs/dbraw/zinc/10/35/65/363103565.db2.gz AHTSFJINUOWKRQ-GFCCVEGCSA-N 2 2 277.372 0.819 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCOCC[NH+](C)C)C[N@@H+]1C1CC1 ZINC000231675776 352131531 /nfs/dbraw/zinc/13/15/31/352131531.db2.gz GSSRGTHVANUDQD-STQMWFEESA-N 3 2 255.406 0.779 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCOCC[NH+](C)C)C[N@H+]1C1CC1 ZINC000231675776 352131535 /nfs/dbraw/zinc/13/15/35/352131535.db2.gz GSSRGTHVANUDQD-STQMWFEESA-N 3 2 255.406 0.779 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccccc1 ZINC000235440965 352184687 /nfs/dbraw/zinc/18/46/87/352184687.db2.gz LJLGRFZKUNXYJF-JSGCOSHPSA-N 2 2 261.369 0.891 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccccc1 ZINC000235440965 352184690 /nfs/dbraw/zinc/18/46/90/352184690.db2.gz LJLGRFZKUNXYJF-JSGCOSHPSA-N 2 2 261.369 0.891 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000235698221 352186775 /nfs/dbraw/zinc/18/67/75/352186775.db2.gz IDDWMQHBOAOALE-XQQFMLRXSA-N 2 2 269.389 0.211 20 0 CCADLP [NH3+]CCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000417040529 233912571 /nfs/dbraw/zinc/91/25/71/233912571.db2.gz OZHHDWMLAJAGMW-AWEZNQCLSA-N 2 2 292.383 0.318 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000236667416 352203432 /nfs/dbraw/zinc/20/34/32/352203432.db2.gz BJBNQUSKHWEOPY-OLZOCXBDSA-N 2 2 269.389 0.211 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000236777883 352213022 /nfs/dbraw/zinc/21/30/22/352213022.db2.gz MYFSTNDDYFPKPR-TUAOUCFPSA-N 2 2 257.378 0.195 20 0 CCADLP COC(=O)c1cnc(C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)cn1 ZINC000603434953 363132079 /nfs/dbraw/zinc/13/20/79/363132079.db2.gz VMEOXKWVUOUISK-GHMZBOCLSA-N 2 2 264.329 0.479 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000237083854 352242068 /nfs/dbraw/zinc/24/20/68/352242068.db2.gz AGKKFJIETVAOQF-STQMWFEESA-N 3 2 282.432 0.256 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@@H](C)C[NH2+]1 ZINC000237614957 352275242 /nfs/dbraw/zinc/27/52/42/352275242.db2.gz NUATUDGVVUOXOT-GRYCIOLGSA-N 2 2 262.357 0.654 20 0 CCADLP C[N@@H+]1CCCN(CCCNC(=O)CCn2cc[nH+]c2)CC1 ZINC000603897751 363169259 /nfs/dbraw/zinc/16/92/59/363169259.db2.gz ABJGDULKURMHRR-UHFFFAOYSA-N 2 2 293.415 0.417 20 0 CCADLP C[N@H+]1CCCN(CCCNC(=O)CCn2cc[nH+]c2)CC1 ZINC000603897751 363169264 /nfs/dbraw/zinc/16/92/64/363169264.db2.gz ABJGDULKURMHRR-UHFFFAOYSA-N 2 2 293.415 0.417 20 0 CCADLP CN1CCC[N@H+](CCCNC(=O)CCn2cc[nH+]c2)CC1 ZINC000603897751 363169268 /nfs/dbraw/zinc/16/92/68/363169268.db2.gz ABJGDULKURMHRR-UHFFFAOYSA-N 2 2 293.415 0.417 20 0 CCADLP CN1CCC[N@@H+](CCCNC(=O)CCn2cc[nH+]c2)CC1 ZINC000603897751 363169274 /nfs/dbraw/zinc/16/92/74/363169274.db2.gz ABJGDULKURMHRR-UHFFFAOYSA-N 2 2 293.415 0.417 20 0 CCADLP COCC[NH2+]CC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000237187166 352250914 /nfs/dbraw/zinc/25/09/14/352250914.db2.gz VHDJSKNQGIUSFH-UHFFFAOYSA-N 2 2 276.340 0.229 20 0 CCADLP CCOC[C@@H](O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000603556719 363146005 /nfs/dbraw/zinc/14/60/05/363146005.db2.gz IHVYRCAFKFFJRA-STQMWFEESA-N 2 2 253.346 0.917 20 0 CCADLP CCOC[C@@H](O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000603556719 363146007 /nfs/dbraw/zinc/14/60/07/363146007.db2.gz IHVYRCAFKFFJRA-STQMWFEESA-N 2 2 253.346 0.917 20 0 CCADLP [NH3+]CCCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000237922346 352288941 /nfs/dbraw/zinc/28/89/41/352288941.db2.gz INNVDMDKZVFRPE-HNNXBMFYSA-N 2 2 291.395 0.915 20 0 CCADLP O=C(CC1CC[NH2+]CC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000238127831 352298347 /nfs/dbraw/zinc/29/83/47/352298347.db2.gz UXACCAPDWDGMPS-HNNXBMFYSA-N 2 2 295.427 0.699 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245437297 352323311 /nfs/dbraw/zinc/32/33/11/352323311.db2.gz DTFHVSZNTQLXDV-WDEREUQCSA-N 2 2 270.377 0.376 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245437297 352323313 /nfs/dbraw/zinc/32/33/13/352323313.db2.gz DTFHVSZNTQLXDV-WDEREUQCSA-N 2 2 270.377 0.376 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000245437297 352323314 /nfs/dbraw/zinc/32/33/14/352323314.db2.gz DTFHVSZNTQLXDV-WDEREUQCSA-N 2 2 270.377 0.376 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000245437297 352323316 /nfs/dbraw/zinc/32/33/16/352323316.db2.gz DTFHVSZNTQLXDV-WDEREUQCSA-N 2 2 270.377 0.376 20 0 CCADLP Cn1cc[nH+]c1[C@H](NC(=O)NCC(F)(F)C[NH3+])C1CC1 ZINC000418167195 234020219 /nfs/dbraw/zinc/02/02/19/234020219.db2.gz MBODKABCCIBYBI-SECBINFHSA-N 2 2 287.314 0.764 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N[C@@H](C[NH3+])C2CCCC2)c1 ZINC000418284856 234052014 /nfs/dbraw/zinc/05/20/14/234052014.db2.gz VJAFLELRXGWWFP-ZDUSSCGKSA-N 2 2 279.388 0.779 20 0 CCADLP CC[C@@]1(C(=O)N2CC[N@H+](CCOC)[C@@H](C)C2)CCC[NH2+]1 ZINC000248706654 352454553 /nfs/dbraw/zinc/45/45/53/352454553.db2.gz HRKIGBIBBPZSTA-ZFWWWQNUSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@@]1(C(=O)N2CC[N@@H+](CCOC)[C@@H](C)C2)CCC[NH2+]1 ZINC000248706654 352454559 /nfs/dbraw/zinc/45/45/59/352454559.db2.gz HRKIGBIBBPZSTA-ZFWWWQNUSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453380 352514596 /nfs/dbraw/zinc/51/45/96/352514596.db2.gz IJNRSHUIMQTPCU-CRWXNKLISA-N 2 2 265.401 0.927 20 0 CCADLP C[NH+]1CCC([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000252559763 352520164 /nfs/dbraw/zinc/52/01/64/352520164.db2.gz VHSCJCDUMUFCFH-UONOGXRCSA-N 3 2 253.390 0.533 20 0 CCADLP C[NH+]1CCC([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000252559763 352520166 /nfs/dbraw/zinc/52/01/66/352520166.db2.gz VHSCJCDUMUFCFH-UONOGXRCSA-N 3 2 253.390 0.533 20 0 CCADLP C[NH2+]CCC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000262462781 352586724 /nfs/dbraw/zinc/58/67/24/352586724.db2.gz XJPSCHFFOBXSMJ-OAHLLOKOSA-N 2 2 291.395 0.786 20 0 CCADLP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261578768 352561497 /nfs/dbraw/zinc/56/14/97/352561497.db2.gz PBEFESWEWIQEGA-SCRDCRAPSA-N 2 2 253.390 0.975 20 0 CCADLP CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261578768 352561500 /nfs/dbraw/zinc/56/15/00/352561500.db2.gz PBEFESWEWIQEGA-SCRDCRAPSA-N 2 2 253.390 0.975 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000261636107 352562499 /nfs/dbraw/zinc/56/24/99/352562499.db2.gz HHKANGIMXFKWDZ-KBPBESRZSA-N 2 2 277.368 0.475 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000261636107 352562502 /nfs/dbraw/zinc/56/25/02/352562502.db2.gz HHKANGIMXFKWDZ-KBPBESRZSA-N 2 2 277.368 0.475 20 0 CCADLP COC(=O)c1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c[nH]1 ZINC000261961720 352568194 /nfs/dbraw/zinc/56/81/94/352568194.db2.gz HJGSZQDYIWZHHI-AWEZNQCLSA-N 2 2 263.341 0.987 20 0 CCADLP COC(=O)c1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c[nH]1 ZINC000261961720 352568195 /nfs/dbraw/zinc/56/81/95/352568195.db2.gz HJGSZQDYIWZHHI-AWEZNQCLSA-N 2 2 263.341 0.987 20 0 CCADLP C[C@@H](C(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C1C[NH2+]C1 ZINC000262028858 352570665 /nfs/dbraw/zinc/57/06/65/352570665.db2.gz BIVCDRSQERJFAS-OCCSQVGLSA-N 2 2 281.400 0.165 20 0 CCADLP COCCn1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000262071309 352575779 /nfs/dbraw/zinc/57/57/79/352575779.db2.gz SDQBPORUGDDGPD-AWEZNQCLSA-N 2 2 264.373 0.715 20 0 CCADLP COCCn1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cn1 ZINC000262071309 352575781 /nfs/dbraw/zinc/57/57/81/352575781.db2.gz SDQBPORUGDDGPD-AWEZNQCLSA-N 2 2 264.373 0.715 20 0 CCADLP CC[C@H](C)NC(=O)CN1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262083940 352576470 /nfs/dbraw/zinc/57/64/70/352576470.db2.gz UBBYFARQPOTYBR-GOEBONIOSA-N 2 2 296.459 0.518 20 0 CCADLP CC[C@H](C)NC(=O)C[NH+]1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262083940 352576473 /nfs/dbraw/zinc/57/64/73/352576473.db2.gz UBBYFARQPOTYBR-GOEBONIOSA-N 2 2 296.459 0.518 20 0 CCADLP Cn1ccnc1[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CCN1C ZINC000262092358 352577943 /nfs/dbraw/zinc/57/79/43/352577943.db2.gz UXYJGYREKFVWRK-DZGCQCFKSA-N 2 2 277.416 0.708 20 0 CCADLP Cn1ccnc1[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CCN1C ZINC000262092358 352577945 /nfs/dbraw/zinc/57/79/45/352577945.db2.gz UXYJGYREKFVWRK-DZGCQCFKSA-N 2 2 277.416 0.708 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[C@H](C)[NH+]1CCOCC1 ZINC000262331731 352585689 /nfs/dbraw/zinc/58/56/89/352585689.db2.gz YENNDJJMGXVGBT-IGQOVBAYSA-N 2 2 283.416 0.729 20 0 CCADLP C[C@@H](CC[NH3+])NC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000418520776 234151705 /nfs/dbraw/zinc/15/17/05/234151705.db2.gz HRAPUYYTACRCDE-LBPRGKRZSA-N 2 2 280.372 0.844 20 0 CCADLP [NH3+][C@H](CNC(=O)N1CC[NH+](Cc2ccco2)CC1)C1CC1 ZINC000418500193 234140688 /nfs/dbraw/zinc/14/06/88/234140688.db2.gz PGNSXOBARBJMMY-CQSZACIVSA-N 2 2 292.383 0.844 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000266819832 352723564 /nfs/dbraw/zinc/72/35/64/352723564.db2.gz HRASRTWRNLINNZ-GFCCVEGCSA-N 2 2 278.356 0.446 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000266819832 352723566 /nfs/dbraw/zinc/72/35/66/352723566.db2.gz HRASRTWRNLINNZ-GFCCVEGCSA-N 2 2 278.356 0.446 20 0 CCADLP CNC(=O)CC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000271219060 353032593 /nfs/dbraw/zinc/03/25/93/353032593.db2.gz JRHKJHMBXSDMJF-NWDGAFQWSA-N 2 2 250.346 0.902 20 0 CCADLP CNC(=O)CC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000271219060 353032595 /nfs/dbraw/zinc/03/25/95/353032595.db2.gz JRHKJHMBXSDMJF-NWDGAFQWSA-N 2 2 250.346 0.902 20 0 CCADLP CC(C)([NH3+])CN1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000346851383 535199720 /nfs/dbraw/zinc/19/97/20/535199720.db2.gz JMELMBBTUKGBIG-UHFFFAOYSA-N 2 2 296.459 0.744 20 0 CCADLP Cn1ncc2c1nc(NCC(C)(C)C[NH+](C)C)[nH+]c2N ZINC000278376494 353296384 /nfs/dbraw/zinc/29/63/84/353296384.db2.gz LFCLBJYIOIXSQC-UHFFFAOYSA-N 2 2 277.376 0.945 20 0 CCADLP Cc1nc(C[N@H+]2CCCN(C(=O)[C@H](C)[NH3+])CC2)cs1 ZINC000157298756 188308923 /nfs/dbraw/zinc/30/89/23/188308923.db2.gz AYHBFQZTBBQNLR-JTQLQIEISA-N 2 2 282.413 0.833 20 0 CCADLP Cc1nc(C[N@@H+]2CCCN(C(=O)[C@H](C)[NH3+])CC2)cs1 ZINC000157298756 188308924 /nfs/dbraw/zinc/30/89/24/188308924.db2.gz AYHBFQZTBBQNLR-JTQLQIEISA-N 2 2 282.413 0.833 20 0 CCADLP C[C@H](NC(=O)[C@@H]([NH3+])C1CCC1)[C@H](C)[NH+]1CCOCC1 ZINC000423383974 299201872 /nfs/dbraw/zinc/20/18/72/299201872.db2.gz PQCUYFYMHGDQNI-GVXVVHGQSA-N 2 2 269.389 0.339 20 0 CCADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)C[NH+](C)C ZINC000280225065 353348376 /nfs/dbraw/zinc/34/83/76/353348376.db2.gz GYDJVXXBVOSNAC-RYUDHWBXSA-N 2 2 297.378 0.010 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CCc1c[nH+]cn1C ZINC000280804882 353384607 /nfs/dbraw/zinc/38/46/07/353384607.db2.gz PSFSEMQZHZDPSF-ZDUSSCGKSA-N 2 2 294.399 0.532 20 0 CCADLP CC(C)n1nccc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000280813081 353385449 /nfs/dbraw/zinc/38/54/49/353385449.db2.gz IHONBFZGZRNEHL-AWEZNQCLSA-N 2 2 293.415 0.893 20 0 CCADLP CC(C)n1nccc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000280813081 353385451 /nfs/dbraw/zinc/38/54/51/353385451.db2.gz IHONBFZGZRNEHL-AWEZNQCLSA-N 2 2 293.415 0.893 20 0 CCADLP Cc1cc([C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)nn1C ZINC000282280853 353409761 /nfs/dbraw/zinc/40/97/61/353409761.db2.gz RRMCCXIXBSNPPZ-CYBMUJFWSA-N 2 2 293.415 0.543 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000283235770 353493337 /nfs/dbraw/zinc/49/33/37/353493337.db2.gz TWKMEHXTCASDMI-HEKLCECKSA-N 2 2 278.356 0.336 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)[C@@H](C)C1 ZINC000283235770 353493338 /nfs/dbraw/zinc/49/33/38/353493338.db2.gz TWKMEHXTCASDMI-HEKLCECKSA-N 2 2 278.356 0.336 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)C=Cc2c[nH]c[nH+]2)n1C ZINC000284000093 353542485 /nfs/dbraw/zinc/54/24/85/353542485.db2.gz NMCYXVNSLYKYMM-SNAWJCMRSA-N 2 2 274.328 0.539 20 0 CCADLP C[C@H]([C@H](C)NC(=O)C=Cc1c[nH]c[nH+]1)[NH+]1CCOCC1 ZINC000284051021 353546049 /nfs/dbraw/zinc/54/60/49/353546049.db2.gz QLCKTLNJUICKSF-HEKLCECKSA-N 2 2 278.356 0.648 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)Cn1cc[nH+]c1 ZINC000287440575 353647123 /nfs/dbraw/zinc/64/71/23/353647123.db2.gz RARBZRRZDVAXBK-CHWSQXEVSA-N 2 2 278.356 0.205 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000290139104 353710993 /nfs/dbraw/zinc/71/09/93/353710993.db2.gz VOWQKEGPCYOIDZ-STQMWFEESA-N 2 2 262.357 0.706 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000290139104 353710997 /nfs/dbraw/zinc/71/09/97/353710997.db2.gz VOWQKEGPCYOIDZ-STQMWFEESA-N 2 2 262.357 0.706 20 0 CCADLP C[C@H](C(=O)N1CCn2c[nH+]cc2C1)[NH+]1CCSCC1 ZINC000291244873 353775669 /nfs/dbraw/zinc/77/56/69/353775669.db2.gz XRCNNVTYYAMREG-LLVKDONJSA-N 2 2 280.397 0.663 20 0 CCADLP C[C@@H](O)CNc1cc(N2CCC[C@@H]([NH+](C)C)C2)nc[nH+]1 ZINC000294345793 353888608 /nfs/dbraw/zinc/88/86/08/353888608.db2.gz JZXVEBLQWAHGKF-VXGBXAGGSA-N 2 2 279.388 0.800 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)NCC[N@@H+](C)C1CC1 ZINC000296494137 353949139 /nfs/dbraw/zinc/94/91/39/353949139.db2.gz PSAFSRSYIZYEBF-UHFFFAOYSA-N 2 2 265.361 0.796 20 0 CCADLP Cc1nc(N2CC[NH+](CC(C)C)CC2)nc(N)[nH+]1 ZINC000302605389 354083526 /nfs/dbraw/zinc/08/35/26/354083526.db2.gz JVBLCJZKQSMFPD-UHFFFAOYSA-N 2 2 250.350 0.540 20 0 CCADLP CC[C@H](C)[NH+]1CCN(c2nc(C)[nH+]c(N)n2)CC1 ZINC000302662272 354083920 /nfs/dbraw/zinc/08/39/20/354083920.db2.gz YHPYJUAFDJEPFD-VIFPVBQESA-N 2 2 250.350 0.683 20 0 CCADLP Cc1[nH+]ccn1CCCN1CC[NH+](CCO)CC1 ZINC000305103435 354130201 /nfs/dbraw/zinc/13/02/01/354130201.db2.gz CTQODNQHHHMZEI-UHFFFAOYSA-N 2 2 252.362 0.192 20 0 CCADLP Cc1[nH+]ccn1CCC[NH+]1CCN(CCO)CC1 ZINC000305103435 354130203 /nfs/dbraw/zinc/13/02/03/354130203.db2.gz CTQODNQHHHMZEI-UHFFFAOYSA-N 2 2 252.362 0.192 20 0 CCADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc2c(c1)OCO2 ZINC000305130480 354132369 /nfs/dbraw/zinc/13/23/69/354132369.db2.gz MVLNFUZJFFRGPS-CMPLNLGQSA-N 2 2 266.341 0.988 20 0 CCADLP CC[C@@H]1CO[C@@H](C)C[N@@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000311432454 354199708 /nfs/dbraw/zinc/19/97/08/354199708.db2.gz DCFWZLSMAFVJQP-MJBXVCDLSA-N 2 2 274.405 0.425 20 0 CCADLP CC[C@@H]1CO[C@@H](C)C[N@H+]1C[C@@H](O)C[NH+](C)CCOC ZINC000311432454 354199712 /nfs/dbraw/zinc/19/97/12/354199712.db2.gz DCFWZLSMAFVJQP-MJBXVCDLSA-N 2 2 274.405 0.425 20 0 CCADLP CC[C@@H]1CO[C@@H](C)C[NH+]1C[C@@H](O)C[N@H+](C)CCOC ZINC000311432454 354199716 /nfs/dbraw/zinc/19/97/16/354199716.db2.gz DCFWZLSMAFVJQP-MJBXVCDLSA-N 2 2 274.405 0.425 20 0 CCADLP CC[C@@H]1CO[C@@H](C)C[NH+]1C[C@@H](O)C[N@@H+](C)CCOC ZINC000311432454 354199720 /nfs/dbraw/zinc/19/97/20/354199720.db2.gz DCFWZLSMAFVJQP-MJBXVCDLSA-N 2 2 274.405 0.425 20 0 CCADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000312292347 354207477 /nfs/dbraw/zinc/20/74/77/354207477.db2.gz LZEVXATVYSHUGS-CQSZACIVSA-N 2 2 282.388 0.426 20 0 CCADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000312292347 354207480 /nfs/dbraw/zinc/20/74/80/354207480.db2.gz LZEVXATVYSHUGS-CQSZACIVSA-N 2 2 282.388 0.426 20 0 CCADLP CCOC(=O)[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000312952308 354211123 /nfs/dbraw/zinc/21/11/23/354211123.db2.gz RWUWEWMIXNMBQG-ZIAGYGMSSA-N 2 2 286.416 0.963 20 0 CCADLP CCOC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000312952308 354211126 /nfs/dbraw/zinc/21/11/26/354211126.db2.gz RWUWEWMIXNMBQG-ZIAGYGMSSA-N 2 2 286.416 0.963 20 0 CCADLP CCOC(=O)[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000312952308 354211133 /nfs/dbraw/zinc/21/11/33/354211133.db2.gz RWUWEWMIXNMBQG-ZIAGYGMSSA-N 2 2 286.416 0.963 20 0 CCADLP CCOC(=O)[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000312952308 354211137 /nfs/dbraw/zinc/21/11/37/354211137.db2.gz RWUWEWMIXNMBQG-ZIAGYGMSSA-N 2 2 286.416 0.963 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@@H+]2CCCO[C@H](C[NH3+])C2)C1 ZINC000313343772 354213090 /nfs/dbraw/zinc/21/30/90/354213090.db2.gz PIWVJPMIJNECAX-CHWSQXEVSA-N 2 2 269.389 0.295 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@H+]2CCCO[C@H](C[NH3+])C2)C1 ZINC000313343772 354213094 /nfs/dbraw/zinc/21/30/94/354213094.db2.gz PIWVJPMIJNECAX-CHWSQXEVSA-N 2 2 269.389 0.295 20 0 CCADLP C[C@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH+]1CCOCC1 ZINC000329859884 354266340 /nfs/dbraw/zinc/26/63/40/354266340.db2.gz PBYLCMXUFCPLJM-QWHCGFSZSA-N 2 2 292.383 0.521 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655485638 412588093 /nfs/dbraw/zinc/58/80/93/412588093.db2.gz PEBKSANLJPJZPW-UTUOFQBUSA-N 2 2 262.357 0.784 20 0 CCADLP Cc1nc(NCC2CC[NH+](C)CC2)nc(N(C)C)[nH+]1 ZINC000330188766 354304796 /nfs/dbraw/zinc/30/47/96/354304796.db2.gz LJUNQNQULYIKMB-UHFFFAOYSA-N 2 2 264.377 0.422 20 0 CCADLP Cc1nc(N(C)C)nc(NCC2CC[NH+](C)CC2)[nH+]1 ZINC000330188766 354304800 /nfs/dbraw/zinc/30/48/00/354304800.db2.gz LJUNQNQULYIKMB-UHFFFAOYSA-N 2 2 264.377 0.422 20 0 CCADLP CS(=O)(=O)NC[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000330366053 354329802 /nfs/dbraw/zinc/32/98/02/354329802.db2.gz WADFHHBQCJISHL-GFCCVEGCSA-N 2 2 286.401 0.144 20 0 CCADLP CS(=O)(=O)NC[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000330366053 354329807 /nfs/dbraw/zinc/32/98/07/354329807.db2.gz WADFHHBQCJISHL-GFCCVEGCSA-N 2 2 286.401 0.144 20 0 CCADLP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cnccn1 ZINC000331120371 354456362 /nfs/dbraw/zinc/45/63/62/354456362.db2.gz MKCKKXROHNFBIY-GFCCVEGCSA-N 2 2 264.373 0.974 20 0 CCADLP Cn1cc([C@@H](CO)[NH2+]CC[C@@H]2CCC[N@@H+]2C)cn1 ZINC000331146331 354466802 /nfs/dbraw/zinc/46/68/02/354466802.db2.gz HFLPZQLZLVSISE-QWHCGFSZSA-N 2 2 252.362 0.527 20 0 CCADLP Cn1cc([C@@H](CO)[NH2+]CC[C@@H]2CCC[N@H+]2C)cn1 ZINC000331146331 354466806 /nfs/dbraw/zinc/46/68/06/354466806.db2.gz HFLPZQLZLVSISE-QWHCGFSZSA-N 2 2 252.362 0.527 20 0 CCADLP CCOC[C@H](O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000331307537 354527136 /nfs/dbraw/zinc/52/71/36/354527136.db2.gz SDVGXJCTAKFBDA-VXGBXAGGSA-N 2 2 253.346 0.987 20 0 CCADLP CCOC[C@H](O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000331307537 354527140 /nfs/dbraw/zinc/52/71/40/354527140.db2.gz SDVGXJCTAKFBDA-VXGBXAGGSA-N 2 2 253.346 0.987 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000333705474 354779406 /nfs/dbraw/zinc/77/94/06/354779406.db2.gz DVSFPABKBVLAGO-YNEHKIRRSA-N 2 2 284.404 0.004 20 0 CCADLP [NH3+]C[C@H](NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C1CC1 ZINC000333702906 354779552 /nfs/dbraw/zinc/77/95/52/354779552.db2.gz RBZUDHULAHMFRO-KGLIPLIRSA-N 2 2 296.415 0.230 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000333871370 354808363 /nfs/dbraw/zinc/80/83/63/354808363.db2.gz UQKPUXWKEIWPRG-FRRDWIJNSA-N 2 2 291.399 0.917 20 0 CCADLP C[C@@H](C[NH3+])CNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000441614517 295892137 /nfs/dbraw/zinc/89/21/37/295892137.db2.gz QBBXUIHTAPFEAQ-ZDUSSCGKSA-N 2 2 291.395 0.843 20 0 CCADLP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000334686800 354925130 /nfs/dbraw/zinc/92/51/30/354925130.db2.gz KPSPATQHWDFOLR-RYUDHWBXSA-N 2 2 287.354 0.974 20 0 CCADLP [NH3+]CC[C@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)C(F)F ZINC000423712456 235039851 /nfs/dbraw/zinc/03/98/51/235039851.db2.gz VKVOYYMLWYODNC-JTQLQIEISA-N 2 2 295.293 0.980 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000423767840 235069296 /nfs/dbraw/zinc/06/92/96/235069296.db2.gz XJUXHRWBOVAEIF-FRRDWIJNSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000423767840 235069298 /nfs/dbraw/zinc/06/92/98/235069298.db2.gz XJUXHRWBOVAEIF-FRRDWIJNSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)CCn1cc[nH+]c1 ZINC000335968916 355061500 /nfs/dbraw/zinc/06/15/00/355061500.db2.gz IFXIBAKYEWAMQR-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)CCn1cc[nH+]c1 ZINC000335968916 355061503 /nfs/dbraw/zinc/06/15/03/355061503.db2.gz IFXIBAKYEWAMQR-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP CNC(=O)N[C@@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000336611292 355123307 /nfs/dbraw/zinc/12/33/07/355123307.db2.gz WXPORIQEFIWJRG-LLVKDONJSA-N 2 2 273.340 0.838 20 0 CCADLP CNC(=O)N[C@@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000336611292 355123311 /nfs/dbraw/zinc/12/33/11/355123311.db2.gz WXPORIQEFIWJRG-LLVKDONJSA-N 2 2 273.340 0.838 20 0 CCADLP Cc1cccn2cc(CC(=O)N3CC[C@@H](C[NH3+])C3)[nH+]c12 ZINC000336124796 355097657 /nfs/dbraw/zinc/09/76/57/355097657.db2.gz HWNUODKWKHPBJR-LBPRGKRZSA-N 2 2 272.352 0.992 20 0 CCADLP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3C[C@@H]3[NH3+])c[nH+]2)CCO1 ZINC000424127394 235157398 /nfs/dbraw/zinc/15/73/98/235157398.db2.gz CUVUIUCRJHCLHZ-RTXFEEFZSA-N 2 2 290.367 0.270 20 0 CCADLP Nc1ccc(NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)c[nH+]1 ZINC000424075112 235147733 /nfs/dbraw/zinc/14/77/33/235147733.db2.gz ITVNLULWVAYOJZ-SNVBAGLBSA-N 2 2 287.327 0.262 20 0 CCADLP Cc1ccccc1CN(C)C(=O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000336836925 355208236 /nfs/dbraw/zinc/20/82/36/355208236.db2.gz XWLMZMWAKHSCLG-CQSZACIVSA-N 2 2 279.384 0.205 20 0 CCADLP Cc1ccccc1CN(C)C(=O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000336836925 355208239 /nfs/dbraw/zinc/20/82/39/355208239.db2.gz XWLMZMWAKHSCLG-CQSZACIVSA-N 2 2 279.384 0.205 20 0 CCADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C1 ZINC000424167998 235167841 /nfs/dbraw/zinc/16/78/41/235167841.db2.gz FMJJGRNQUNTDBE-TUAOUCFPSA-N 2 2 262.357 0.548 20 0 CCADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000424192440 235173839 /nfs/dbraw/zinc/17/38/39/235173839.db2.gz OVQXJJRUIBSCKB-RNCFNFMXSA-N 2 2 261.325 0.605 20 0 CCADLP O=C(C[C@H]1CC[NH2+]C1)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424188761 235174149 /nfs/dbraw/zinc/17/41/49/235174149.db2.gz JUZPCRJPJFQOLM-NXEZZACHSA-N 2 2 261.316 0.347 20 0 CCADLP CN(C)S(=O)(=O)CC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000336814506 355189448 /nfs/dbraw/zinc/18/94/48/355189448.db2.gz XHUJOVIZDRDQHB-ZDUSSCGKSA-N 2 2 291.461 0.684 20 0 CCADLP CN(C)S(=O)(=O)CC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000336814506 355189451 /nfs/dbraw/zinc/18/94/51/355189451.db2.gz XHUJOVIZDRDQHB-ZDUSSCGKSA-N 2 2 291.461 0.684 20 0 CCADLP CN(C)S(=O)(=O)CC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000336814506 355189454 /nfs/dbraw/zinc/18/94/54/355189454.db2.gz XHUJOVIZDRDQHB-ZDUSSCGKSA-N 2 2 291.461 0.684 20 0 CCADLP CN(C)S(=O)(=O)CC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000336814506 355189457 /nfs/dbraw/zinc/18/94/57/355189457.db2.gz XHUJOVIZDRDQHB-ZDUSSCGKSA-N 2 2 291.461 0.684 20 0 CCADLP C[N@H+](CC1CC1)C[C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000336820298 355194980 /nfs/dbraw/zinc/19/49/80/355194980.db2.gz CLFKHXBSYXOMTN-MRXNPFEDSA-N 2 2 281.444 0.982 20 0 CCADLP C[N@@H+](CC1CC1)C[C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000336820298 355194983 /nfs/dbraw/zinc/19/49/83/355194983.db2.gz CLFKHXBSYXOMTN-MRXNPFEDSA-N 2 2 281.444 0.982 20 0 CCADLP COC(=O)C(C)(C)CC[N@H+](CCO)C1CC[NH+](C)CC1 ZINC000338544717 355365654 /nfs/dbraw/zinc/36/56/54/355365654.db2.gz FZOHIDFHJGVGBD-UHFFFAOYSA-N 2 2 286.416 0.964 20 0 CCADLP COC(=O)C(C)(C)CC[N@@H+](CCO)C1CC[NH+](C)CC1 ZINC000338544717 355365656 /nfs/dbraw/zinc/36/56/56/355365656.db2.gz FZOHIDFHJGVGBD-UHFFFAOYSA-N 2 2 286.416 0.964 20 0 CCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000333473880 291065522 /nfs/dbraw/zinc/06/55/22/291065522.db2.gz BEUFEZPVHJJLKE-MELADBBJSA-N 2 2 296.415 0.243 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000339064919 355480286 /nfs/dbraw/zinc/48/02/86/355480286.db2.gz AABMRYBKVKSJMO-CHWSQXEVSA-N 2 2 291.461 0.682 20 0 CCADLP COCCn1cc(C[NH2+]Cc2c[nH+]c(N(C)C)n2C)cn1 ZINC000425377347 235289968 /nfs/dbraw/zinc/28/99/68/235289968.db2.gz GOPBZZIKGYOQQW-UHFFFAOYSA-N 2 2 292.387 0.619 20 0 CCADLP COCC[NH+](CCOC)Cc1c[nH+]c(N(C)C)n1C ZINC000425322536 235284241 /nfs/dbraw/zinc/28/42/41/235284241.db2.gz JLLBSXNWDUNLLO-UHFFFAOYSA-N 2 2 270.377 0.581 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NCC[N@H+]2CCOC[C@@H]2C)CC[NH+]1C ZINC000341116994 355609565 /nfs/dbraw/zinc/60/95/65/355609565.db2.gz FYWRUDXNCVFTHP-HZSPNIEDSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC[NH+]1C ZINC000341116994 355609567 /nfs/dbraw/zinc/60/95/67/355609567.db2.gz FYWRUDXNCVFTHP-HZSPNIEDSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NCC[NH+]2CCOC[C@@H]2C)CC[N@@H+]1C ZINC000341116994 355609568 /nfs/dbraw/zinc/60/95/68/355609568.db2.gz FYWRUDXNCVFTHP-HZSPNIEDSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)NCC[NH+]2CCOC[C@@H]2C)CC[N@H+]1C ZINC000341116994 355609569 /nfs/dbraw/zinc/60/95/69/355609569.db2.gz FYWRUDXNCVFTHP-HZSPNIEDSA-N 2 2 298.431 0.489 20 0 CCADLP CC(C)[C@H](CNC1=[NH+]CCCN1)[NH+]1CCOCC1 ZINC000341631964 355708081 /nfs/dbraw/zinc/70/80/81/355708081.db2.gz NAYHYBWJNCFGLP-LBPRGKRZSA-N 2 2 254.378 0.282 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)[C@H]1CC[NH2+]CC1(F)F ZINC000342755411 355738098 /nfs/dbraw/zinc/73/80/98/355738098.db2.gz QVZOKFBTSNMWSI-LLVKDONJSA-N 2 2 286.326 0.943 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CC[NH2+]CC1(F)F)[NH+]1CCOCC1 ZINC000342765169 355741096 /nfs/dbraw/zinc/74/10/96/355741096.db2.gz MJXOYMSHOWTYSI-MNOVXSKESA-N 2 2 291.342 0.068 20 0 CCADLP COC(=O)c1cn(CC[NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)nn1 ZINC000342830515 355754979 /nfs/dbraw/zinc/75/49/79/355754979.db2.gz VTWAYTWPQMUJTN-PWSUYJOCSA-N 2 2 293.371 0.137 20 0 CCADLP COC(=O)c1cn(CC[NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)nn1 ZINC000342830515 355754980 /nfs/dbraw/zinc/75/49/80/355754980.db2.gz VTWAYTWPQMUJTN-PWSUYJOCSA-N 2 2 293.371 0.137 20 0 CCADLP COC(=O)c1cn(CC[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)nn1 ZINC000342830516 355755080 /nfs/dbraw/zinc/75/50/80/355755080.db2.gz VTWAYTWPQMUJTN-ZYHUDNBSSA-N 2 2 293.371 0.137 20 0 CCADLP COC(=O)c1cn(CC[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)nn1 ZINC000342830516 355755081 /nfs/dbraw/zinc/75/50/81/355755081.db2.gz VTWAYTWPQMUJTN-ZYHUDNBSSA-N 2 2 293.371 0.137 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)NCc1cccnc1 ZINC000428036551 235391718 /nfs/dbraw/zinc/39/17/18/235391718.db2.gz RLNFXWRNUPQLLQ-KBPBESRZSA-N 2 2 274.368 0.382 20 0 CCADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)NCc1cccnc1 ZINC000428036551 235391720 /nfs/dbraw/zinc/39/17/20/235391720.db2.gz RLNFXWRNUPQLLQ-KBPBESRZSA-N 2 2 274.368 0.382 20 0 CCADLP CNC(=O)N[C@@H]1CC[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348260387 355898096 /nfs/dbraw/zinc/89/80/96/355898096.db2.gz KBLYHGWRJUUHRU-SNVBAGLBSA-N 2 2 297.428 0.708 20 0 CCADLP CNC(=O)N[C@@H]1CC[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348260387 355898101 /nfs/dbraw/zinc/89/81/01/355898101.db2.gz KBLYHGWRJUUHRU-SNVBAGLBSA-N 2 2 297.428 0.708 20 0 CCADLP COC(=O)CCC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000559290332 291081170 /nfs/dbraw/zinc/08/11/70/291081170.db2.gz TWLNOWGFBMIKKJ-UHFFFAOYSA-N 2 2 252.318 0.485 20 0 CCADLP O=S1(=O)CC[C@@H]2C[N@H+](CCCn3cc[nH+]c3)C[C@@H]21 ZINC000352976998 356124975 /nfs/dbraw/zinc/12/49/75/356124975.db2.gz MZHZZDNQHVCASR-NEPJUHHUSA-N 2 2 269.370 0.392 20 0 CCADLP O=S1(=O)CC[C@@H]2C[N@@H+](CCCn3cc[nH+]c3)C[C@@H]21 ZINC000352976998 356124978 /nfs/dbraw/zinc/12/49/78/356124978.db2.gz MZHZZDNQHVCASR-NEPJUHHUSA-N 2 2 269.370 0.392 20 0 CCADLP Cc1cnn(C)c1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000352812783 356087048 /nfs/dbraw/zinc/08/70/48/356087048.db2.gz HYYJHOYXJLENGH-GFCCVEGCSA-N 2 2 252.362 0.275 20 0 CCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H]([NH3+])CC(C)C)CC1 ZINC000353201365 356177104 /nfs/dbraw/zinc/17/71/04/356177104.db2.gz GCWFEJQZOIDRDH-QWHCGFSZSA-N 2 2 299.415 0.456 20 0 CCADLP CC[NH+]1CCN(CC(=O)NC[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000353006611 356134799 /nfs/dbraw/zinc/13/47/99/356134799.db2.gz FGJBJEQDSMNODS-CQSZACIVSA-N 2 2 293.415 0.273 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](COC(F)F)C2)CC1 ZINC000353020943 356139774 /nfs/dbraw/zinc/13/97/74/356139774.db2.gz IYJJEMCFPPMPBE-NSHDSACASA-N 2 2 291.342 0.322 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](COC(F)F)C2)CC1 ZINC000353020943 356139779 /nfs/dbraw/zinc/13/97/79/356139779.db2.gz IYJJEMCFPPMPBE-NSHDSACASA-N 2 2 291.342 0.322 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000360288504 137987195 /nfs/dbraw/zinc/98/71/95/137987195.db2.gz BCYLXUVMRYZNDX-UHFFFAOYSA-N 2 2 295.387 0.018 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000353445698 356224680 /nfs/dbraw/zinc/22/46/80/356224680.db2.gz JEBFIKMBJMRTMS-UPJWGTAASA-N 2 2 269.389 0.211 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000353445698 356224683 /nfs/dbraw/zinc/22/46/83/356224683.db2.gz JEBFIKMBJMRTMS-UPJWGTAASA-N 2 2 269.389 0.211 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H](N)C(F)(F)F)CC1 ZINC000353461938 356228751 /nfs/dbraw/zinc/22/87/51/356228751.db2.gz RWZYQSYMGQZMPT-SNVBAGLBSA-N 2 2 296.337 0.018 20 0 CCADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])[C@@H](C)CC)CC1 ZINC000353475829 356232741 /nfs/dbraw/zinc/23/27/41/356232741.db2.gz XQJKJUUITDMBLJ-JSGCOSHPSA-N 2 2 298.431 0.030 20 0 CCADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]([NH3+])[C@@H](C)CC)CC1 ZINC000353475829 356232743 /nfs/dbraw/zinc/23/27/43/356232743.db2.gz XQJKJUUITDMBLJ-JSGCOSHPSA-N 2 2 298.431 0.030 20 0 CCADLP CC(C)C[C@@H]([NH3+])C(=O)N(C)CC[NH+]1CCOCC1 ZINC000353633476 356262245 /nfs/dbraw/zinc/26/22/45/356262245.db2.gz HBLGDUAWHNDVRV-GFCCVEGCSA-N 2 2 257.378 0.150 20 0 CCADLP CC(C)C[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000353675859 356271652 /nfs/dbraw/zinc/27/16/52/356271652.db2.gz FYIPUNHGBGAPHA-QWHCGFSZSA-N 2 2 269.389 0.339 20 0 CCADLP CC(C)C[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000353675859 356271655 /nfs/dbraw/zinc/27/16/55/356271655.db2.gz FYIPUNHGBGAPHA-QWHCGFSZSA-N 2 2 269.389 0.339 20 0 CCADLP COCC[C@@H](C)[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000360892747 138015011 /nfs/dbraw/zinc/01/50/11/138015011.db2.gz XJOSNZPDBQIYCK-CHWSQXEVSA-N 2 2 294.399 0.926 20 0 CCADLP CC[C@@H](C(=O)N1CC[NH+](CCOC)CC1)[NH+](C)C ZINC000360958056 138017256 /nfs/dbraw/zinc/01/72/56/138017256.db2.gz OETCHRVAMKKYPY-LBPRGKRZSA-N 2 2 257.378 0.117 20 0 CCADLP Cc1nc(N2CC[NH+](C[C@@H]3COCCO3)CC2)cc[nH+]1 ZINC000361025235 138019272 /nfs/dbraw/zinc/01/92/72/138019272.db2.gz KZBUHHUZAYLCNP-CYBMUJFWSA-N 2 2 278.356 0.322 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000361860476 138037143 /nfs/dbraw/zinc/03/71/43/138037143.db2.gz YBFRLMJGXFQBPD-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NCC[NH+]2CCOCC2)CC[N@H+]1C ZINC000361860476 138037144 /nfs/dbraw/zinc/03/71/44/138037144.db2.gz YBFRLMJGXFQBPD-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@](C)(O)C2CCC2)CC1 ZINC000362892102 138079147 /nfs/dbraw/zinc/07/91/47/138079147.db2.gz KQPXCMDKXBXBAE-MRXNPFEDSA-N 2 2 297.443 0.680 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000362912392 138080224 /nfs/dbraw/zinc/08/02/24/138080224.db2.gz YTUZFJVSMVJMGS-ZDUSSCGKSA-N 2 2 262.357 0.970 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000362912392 138080225 /nfs/dbraw/zinc/08/02/25/138080225.db2.gz YTUZFJVSMVJMGS-ZDUSSCGKSA-N 2 2 262.357 0.970 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2cscn2)C1 ZINC000362683700 138069987 /nfs/dbraw/zinc/06/99/87/138069987.db2.gz LYDFZYGTCSVVOB-LBPRGKRZSA-N 2 2 280.397 0.539 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC000362683700 138069988 /nfs/dbraw/zinc/06/99/88/138069988.db2.gz LYDFZYGTCSVVOB-LBPRGKRZSA-N 2 2 280.397 0.539 20 0 CCADLP Cc1nc(NCC[N@H+]2CCOC[C@H]2C)c(C)c(C)[nH+]1 ZINC000354410232 356409293 /nfs/dbraw/zinc/40/92/93/356409293.db2.gz XNYCPOUMQBIVBD-SNVBAGLBSA-N 2 2 264.373 0.956 20 0 CCADLP Cc1nc(NCC[N@@H+]2CCOC[C@H]2C)c(C)c(C)[nH+]1 ZINC000354410232 356409296 /nfs/dbraw/zinc/40/92/96/356409296.db2.gz XNYCPOUMQBIVBD-SNVBAGLBSA-N 2 2 264.373 0.956 20 0 CCADLP CN1C[C@H](C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)OC1=O ZINC000496431565 283170377 /nfs/dbraw/zinc/17/03/77/283170377.db2.gz GDYXHDZAVZEZQQ-YPMHNXCESA-N 2 2 253.346 0.465 20 0 CCADLP CN1C[C@H](C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)OC1=O ZINC000496431565 283170378 /nfs/dbraw/zinc/17/03/78/283170378.db2.gz GDYXHDZAVZEZQQ-YPMHNXCESA-N 2 2 253.346 0.465 20 0 CCADLP CN1C[C@H](C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)OC1=O ZINC000496431565 283170379 /nfs/dbraw/zinc/17/03/79/283170379.db2.gz GDYXHDZAVZEZQQ-YPMHNXCESA-N 2 2 253.346 0.465 20 0 CCADLP CN1C[C@H](C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)OC1=O ZINC000496431565 283170380 /nfs/dbraw/zinc/17/03/80/283170380.db2.gz GDYXHDZAVZEZQQ-YPMHNXCESA-N 2 2 253.346 0.465 20 0 CCADLP CNS(=O)(=O)CC[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000354928640 356530995 /nfs/dbraw/zinc/53/09/95/356530995.db2.gz UMZIVILVSOGLGE-UHFFFAOYSA-N 2 2 271.386 0.461 20 0 CCADLP CC[N@H+](CCC1CC1)CC(=O)N1CC[NH+](C)CC1 ZINC000355062493 356563470 /nfs/dbraw/zinc/56/34/70/356563470.db2.gz PSZDWPHKMNEBJU-UHFFFAOYSA-N 2 2 253.390 0.882 20 0 CCADLP CC[N@@H+](CCC1CC1)CC(=O)N1CC[NH+](C)CC1 ZINC000355062493 356563472 /nfs/dbraw/zinc/56/34/72/356563472.db2.gz PSZDWPHKMNEBJU-UHFFFAOYSA-N 2 2 253.390 0.882 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC000328805101 202065253 /nfs/dbraw/zinc/06/52/53/202065253.db2.gz CWWHOXIHVQXCLX-ZDUSSCGKSA-N 2 2 294.399 0.532 20 0 CCADLP COCC[N@H+]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC000328805101 202065257 /nfs/dbraw/zinc/06/52/57/202065257.db2.gz CWWHOXIHVQXCLX-ZDUSSCGKSA-N 2 2 294.399 0.532 20 0 CCADLP C[C@@H](C(=O)NCC[N@H+](C)C1CCCC1)[NH+]1CCOCC1 ZINC000355212951 356609901 /nfs/dbraw/zinc/60/99/01/356609901.db2.gz VXCQLDNLRWGDLD-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@@H](C(=O)NCC[N@@H+](C)C1CCCC1)[NH+]1CCOCC1 ZINC000355212951 356609904 /nfs/dbraw/zinc/60/99/04/356609904.db2.gz VXCQLDNLRWGDLD-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP O=C(NCCn1cc[nH+]c1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000560987484 291114867 /nfs/dbraw/zinc/11/48/67/291114867.db2.gz WSALTFKEKOAOAA-UHFFFAOYSA-N 2 2 298.306 0.286 20 0 CCADLP CN(C(=O)CCc1c[nH+]cn1C)[C@@H]1C[NH+]2CCC1CC2 ZINC000356001399 356683414 /nfs/dbraw/zinc/68/34/14/356683414.db2.gz OQEWGKYWIVFHHY-CQSZACIVSA-N 2 2 276.384 0.905 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)[N@H+](C)C1 ZINC000329030910 202160336 /nfs/dbraw/zinc/16/03/36/202160336.db2.gz PPBGBFQHZTVVBJ-AGIUHOORSA-N 2 2 292.383 0.835 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)[N@@H+](C)C1 ZINC000329030910 202160337 /nfs/dbraw/zinc/16/03/37/202160337.db2.gz PPBGBFQHZTVVBJ-AGIUHOORSA-N 2 2 292.383 0.835 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCC[NH+](C)CC1 ZINC000356379431 356756870 /nfs/dbraw/zinc/75/68/70/356756870.db2.gz UJYQXQROOPHSEC-ZDUSSCGKSA-N 2 2 284.404 0.054 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CCC[NH+](C)CC1 ZINC000356379431 356756872 /nfs/dbraw/zinc/75/68/72/356756872.db2.gz UJYQXQROOPHSEC-ZDUSSCGKSA-N 2 2 284.404 0.054 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)N1CCC[N@H+](C)CC1 ZINC000356379431 356756875 /nfs/dbraw/zinc/75/68/75/356756875.db2.gz UJYQXQROOPHSEC-ZDUSSCGKSA-N 2 2 284.404 0.054 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)N1CCC[N@@H+](C)CC1 ZINC000356379431 356756879 /nfs/dbraw/zinc/75/68/79/356756879.db2.gz UJYQXQROOPHSEC-ZDUSSCGKSA-N 2 2 284.404 0.054 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000359277175 356791661 /nfs/dbraw/zinc/79/16/61/356791661.db2.gz NHXCENNFUXTASK-ZIAGYGMSSA-N 3 2 294.443 0.127 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000619902476 366382190 /nfs/dbraw/zinc/38/21/90/366382190.db2.gz INNHJGWNCJLPQP-GXTWGEPZSA-N 2 2 293.415 0.623 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)[C@@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000619902476 366382193 /nfs/dbraw/zinc/38/21/93/366382193.db2.gz INNHJGWNCJLPQP-GXTWGEPZSA-N 2 2 293.415 0.623 20 0 CCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000359361640 356809208 /nfs/dbraw/zinc/80/92/08/356809208.db2.gz OSQSVDIVHICWLR-SNVBAGLBSA-N 2 2 266.345 0.512 20 0 CCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000359361640 356809211 /nfs/dbraw/zinc/80/92/11/356809211.db2.gz OSQSVDIVHICWLR-SNVBAGLBSA-N 2 2 266.345 0.512 20 0 CCADLP CCOC(=O)c1c[nH+]ccc1N1CC[N@H+](CCO)[C@H](C)C1 ZINC000359635539 356862304 /nfs/dbraw/zinc/86/23/04/356862304.db2.gz FOHQIOZVKLIVIV-GFCCVEGCSA-N 2 2 293.367 0.761 20 0 CCADLP CCOC(=O)c1c[nH+]ccc1N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000359635539 356862306 /nfs/dbraw/zinc/86/23/06/356862306.db2.gz FOHQIOZVKLIVIV-GFCCVEGCSA-N 2 2 293.367 0.761 20 0 CCADLP CCNC(=O)[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655682897 412646156 /nfs/dbraw/zinc/64/61/56/412646156.db2.gz MZBGSACKMPWWLP-DGCLKSJQSA-N 2 2 269.389 0.354 20 0 CCADLP O[C@H]1CCC[C@H]1[NH+]1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000360277640 356982850 /nfs/dbraw/zinc/98/28/50/356982850.db2.gz BFTKVGTVQCSLGS-OLZOCXBDSA-N 2 2 287.367 0.993 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)C1CC[NH+](C)CC1 ZINC000360135135 356956645 /nfs/dbraw/zinc/95/66/45/356956645.db2.gz ILKKWZZAPOSRHX-UHFFFAOYSA-N 2 2 269.389 0.119 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360553049 357039779 /nfs/dbraw/zinc/03/97/79/357039779.db2.gz QIXDLMRMCVZLGD-ZDUSSCGKSA-N 2 2 274.430 0.885 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360553049 357039781 /nfs/dbraw/zinc/03/97/81/357039781.db2.gz QIXDLMRMCVZLGD-ZDUSSCGKSA-N 2 2 274.430 0.885 20 0 CCADLP CN1CC[NH+](CC2(C)CC[NH+]([C@H]3CCOC3=O)CC2)CC1 ZINC000364946640 357132682 /nfs/dbraw/zinc/13/26/82/357132682.db2.gz TVRGQPCBVXXCSM-AWEZNQCLSA-N 2 2 295.427 0.651 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000365762090 357170906 /nfs/dbraw/zinc/17/09/06/357170906.db2.gz CWVSNDKVLOCQAW-AWEZNQCLSA-N 2 2 281.400 0.404 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000365762090 357170910 /nfs/dbraw/zinc/17/09/10/357170910.db2.gz CWVSNDKVLOCQAW-AWEZNQCLSA-N 2 2 281.400 0.404 20 0 CCADLP CNS(=O)(=O)[C@H]1CC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000366655960 357232034 /nfs/dbraw/zinc/23/20/34/357232034.db2.gz PAWALTXKQRKDIU-STQMWFEESA-N 2 2 289.445 0.484 20 0 CCADLP CNS(=O)(=O)[C@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000366655960 357232038 /nfs/dbraw/zinc/23/20/38/357232038.db2.gz PAWALTXKQRKDIU-STQMWFEESA-N 2 2 289.445 0.484 20 0 CCADLP CNS(=O)(=O)[C@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000366655960 357232040 /nfs/dbraw/zinc/23/20/40/357232040.db2.gz PAWALTXKQRKDIU-STQMWFEESA-N 2 2 289.445 0.484 20 0 CCADLP CNS(=O)(=O)[C@H]1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000366655960 357232045 /nfs/dbraw/zinc/23/20/45/357232045.db2.gz PAWALTXKQRKDIU-STQMWFEESA-N 2 2 289.445 0.484 20 0 CCADLP CNS(=O)(=O)[C@H]1CC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000366655958 357232632 /nfs/dbraw/zinc/23/26/32/357232632.db2.gz PAWALTXKQRKDIU-OLZOCXBDSA-N 2 2 289.445 0.484 20 0 CCADLP CNS(=O)(=O)[C@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000366655958 357232634 /nfs/dbraw/zinc/23/26/34/357232634.db2.gz PAWALTXKQRKDIU-OLZOCXBDSA-N 2 2 289.445 0.484 20 0 CCADLP CNS(=O)(=O)[C@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000366655958 357232635 /nfs/dbraw/zinc/23/26/35/357232635.db2.gz PAWALTXKQRKDIU-OLZOCXBDSA-N 2 2 289.445 0.484 20 0 CCADLP CNS(=O)(=O)[C@H]1CC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000366655958 357232636 /nfs/dbraw/zinc/23/26/36/357232636.db2.gz PAWALTXKQRKDIU-OLZOCXBDSA-N 2 2 289.445 0.484 20 0 CCADLP CN1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCC1=O ZINC000655723934 412651379 /nfs/dbraw/zinc/65/13/79/412651379.db2.gz JNPGHVZBPMQIJJ-ZIAGYGMSSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)[NH+]1CCOCC1 ZINC000366180030 357189658 /nfs/dbraw/zinc/18/96/58/357189658.db2.gz IODNGGZFAHURAA-KGLIPLIRSA-N 2 2 295.427 0.840 20 0 CCADLP COCC(C)(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000366851462 357245700 /nfs/dbraw/zinc/24/57/00/357245700.db2.gz DHDAKWKWIRZQPF-ZDUSSCGKSA-N 2 2 297.443 0.944 20 0 CCADLP COCC(C)(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000366851462 357245703 /nfs/dbraw/zinc/24/57/03/357245703.db2.gz DHDAKWKWIRZQPF-ZDUSSCGKSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)N1C[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1=O ZINC000655729606 412652726 /nfs/dbraw/zinc/65/27/26/412652726.db2.gz LRWPXFKOTHSTFM-GJZGRUSLSA-N 2 2 295.427 0.839 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000377346444 357567627 /nfs/dbraw/zinc/56/76/27/357567627.db2.gz PWCGQBWWQKZKPD-WCQYABFASA-N 2 2 293.371 0.083 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000377346444 357567628 /nfs/dbraw/zinc/56/76/28/357567628.db2.gz PWCGQBWWQKZKPD-WCQYABFASA-N 2 2 293.371 0.083 20 0 CCADLP CCN1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1=O ZINC000655765462 412656997 /nfs/dbraw/zinc/65/69/97/412656997.db2.gz GEQNLFJNYOXDHA-KBPBESRZSA-N 2 2 281.400 0.450 20 0 CCADLP COC[C@H](CO)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655764713 412657013 /nfs/dbraw/zinc/65/70/13/412657013.db2.gz PNWYWPBGNAVESN-UONOGXRCSA-N 2 2 272.389 0.227 20 0 CCADLP CCn1nnc(C)c1C[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000449122371 236018101 /nfs/dbraw/zinc/01/81/01/236018101.db2.gz LCBXGEKQFCACBG-CQSZACIVSA-N 2 2 295.431 0.789 20 0 CCADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)CCC(=O)OCC)C1 ZINC000389291162 357736048 /nfs/dbraw/zinc/73/60/48/357736048.db2.gz KHQWNSJMMHQQLJ-OLZOCXBDSA-N 2 2 272.389 0.765 20 0 CCADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)CCC(=O)OCC)C1 ZINC000389291162 357736050 /nfs/dbraw/zinc/73/60/50/357736050.db2.gz KHQWNSJMMHQQLJ-OLZOCXBDSA-N 2 2 272.389 0.765 20 0 CCADLP O=C(Cc1cn2ccccc2[nH+]1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449742985 236048862 /nfs/dbraw/zinc/04/88/62/236048862.db2.gz SZFMWQXKXPNOCW-YPMHNXCESA-N 2 2 270.336 0.697 20 0 CCADLP C[C@@H]1C[N@H+](CCO)CCN1Cc1c[nH+]c2ccccn12 ZINC000449786749 236053246 /nfs/dbraw/zinc/05/32/46/236053246.db2.gz PXEDHHSFBICZKH-CYBMUJFWSA-N 2 2 274.368 0.833 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)CCN1Cc1c[nH+]c2ccccn12 ZINC000449786749 236053248 /nfs/dbraw/zinc/05/32/48/236053248.db2.gz PXEDHHSFBICZKH-CYBMUJFWSA-N 2 2 274.368 0.833 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCc2c[nH+]cn2C)n1C ZINC000401717076 357803198 /nfs/dbraw/zinc/80/31/98/357803198.db2.gz BNYKIGPMYISANH-UHFFFAOYSA-N 3 2 262.361 0.552 20 0 CCADLP CCC[N@H+](C[C@H]1CCC[NH2+]C1)[C@@H]1CCS(=O)(=O)C1 ZINC000226434728 283290203 /nfs/dbraw/zinc/29/02/03/283290203.db2.gz RUPCXYAMPMZXNK-QWHCGFSZSA-N 2 2 274.430 0.885 20 0 CCADLP CCC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@@H]1CCS(=O)(=O)C1 ZINC000226434728 283290206 /nfs/dbraw/zinc/29/02/06/283290206.db2.gz RUPCXYAMPMZXNK-QWHCGFSZSA-N 2 2 274.430 0.885 20 0 CCADLP Cc1nc(NC[C@H]2CCC[N@@H+]2CCCO)cc[nH+]1 ZINC000450599855 236098315 /nfs/dbraw/zinc/09/83/15/236098315.db2.gz UGJJKCKWOLXTCG-GFCCVEGCSA-N 2 2 250.346 0.466 20 0 CCADLP Cc1nc(NC[C@H]2CCC[N@H+]2CCCO)cc[nH+]1 ZINC000450599855 236098318 /nfs/dbraw/zinc/09/83/18/236098318.db2.gz UGJJKCKWOLXTCG-GFCCVEGCSA-N 2 2 250.346 0.466 20 0 CCADLP CC1(C)C[NH+](CC(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000561166164 291119166 /nfs/dbraw/zinc/11/91/66/291119166.db2.gz JEYNDBWCDRPEDL-UHFFFAOYSA-N 2 2 265.401 0.882 20 0 CCADLP CSC1(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CCC1 ZINC000561199493 291120887 /nfs/dbraw/zinc/12/08/87/291120887.db2.gz IZQBKQMUMJWHRJ-LLVKDONJSA-N 2 2 286.445 0.556 20 0 CCADLP CSC1(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CCC1 ZINC000561199493 291120890 /nfs/dbraw/zinc/12/08/90/291120890.db2.gz IZQBKQMUMJWHRJ-LLVKDONJSA-N 2 2 286.445 0.556 20 0 CCADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)C(C)(C)n1cncn1 ZINC000453251123 236273684 /nfs/dbraw/zinc/27/36/84/236273684.db2.gz AUTVZNRCDWZLQF-ZIAGYGMSSA-N 2 2 295.431 0.838 20 0 CCADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)C(C)(C)n1cncn1 ZINC000453251123 236273686 /nfs/dbraw/zinc/27/36/86/236273686.db2.gz AUTVZNRCDWZLQF-ZIAGYGMSSA-N 2 2 295.431 0.838 20 0 CCADLP CNC(=O)C[C@H](C)[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000346772208 283335788 /nfs/dbraw/zinc/33/57/88/283335788.db2.gz NXGDUPQUPPXWOW-QWHCGFSZSA-N 2 2 271.405 0.457 20 0 CCADLP CNC(=O)C[C@H](C)[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000346772208 283335794 /nfs/dbraw/zinc/33/57/94/283335794.db2.gz NXGDUPQUPPXWOW-QWHCGFSZSA-N 2 2 271.405 0.457 20 0 CCADLP C[NH2+]C[C@@H]1CCCN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000416810796 358128750 /nfs/dbraw/zinc/12/87/50/358128750.db2.gz BZHFNXJWQAHQAV-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000422728819 358192650 /nfs/dbraw/zinc/19/26/50/358192650.db2.gz JQGRFVYDTXWQJF-KBPBESRZSA-N 2 2 281.400 0.356 20 0 CCADLP O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000422728819 358192652 /nfs/dbraw/zinc/19/26/52/358192652.db2.gz JQGRFVYDTXWQJF-KBPBESRZSA-N 2 2 281.400 0.356 20 0 CCADLP CCOC(=O)C1([C@@H](C)[NH2+]CC(F)(F)CO)CC[NH2+]CC1 ZINC000423050092 358196100 /nfs/dbraw/zinc/19/61/00/358196100.db2.gz LGRCWOYCHWGLTP-SNVBAGLBSA-N 2 2 294.342 0.525 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000423425888 358200973 /nfs/dbraw/zinc/20/09/73/358200973.db2.gz DOYZOQFJMGNCIA-DZGCQCFKSA-N 3 2 296.459 0.517 20 0 CCADLP Cn1cc(N2CCC[C@H]([N@@H+]3CC[C@H](C[NH3+])C3)C2=O)cn1 ZINC000430915575 358228944 /nfs/dbraw/zinc/22/89/44/358228944.db2.gz DDXOSIFEHFSYAW-YPMHNXCESA-N 2 2 277.372 0.196 20 0 CCADLP Cn1cc(N2CCC[C@H]([N@H+]3CC[C@H](C[NH3+])C3)C2=O)cn1 ZINC000430915575 358228950 /nfs/dbraw/zinc/22/89/50/358228950.db2.gz DDXOSIFEHFSYAW-YPMHNXCESA-N 2 2 277.372 0.196 20 0 CCADLP C[C@H](CNC(=O)/C=C\c1[nH]cc[nH+]1)C[NH+]1CCN(C)CC1 ZINC000493803748 358311111 /nfs/dbraw/zinc/31/11/11/358311111.db2.gz QCLVFWPJLAWFKJ-DHCBQETCSA-N 2 2 291.399 0.423 20 0 CCADLP CCn1nncc1C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000530207061 358378425 /nfs/dbraw/zinc/37/84/25/358378425.db2.gz CTJHJXSDXJWOBA-GHMZBOCLSA-N 2 2 253.350 0.155 20 0 CCADLP O=C(N1CC[NH2+]CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000530241226 358384991 /nfs/dbraw/zinc/38/49/91/358384991.db2.gz FEJKUQKNWQTWKP-UHFFFAOYSA-N 2 2 294.424 0.891 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)NCC[NH+]2CCC2)CCO1 ZINC000533572044 358544104 /nfs/dbraw/zinc/54/41/04/358544104.db2.gz VAPKKUHBZTYNRD-UHFFFAOYSA-N 2 2 284.404 0.102 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)NCC[NH+]2CCC2)CCO1 ZINC000533572044 358544106 /nfs/dbraw/zinc/54/41/06/358544106.db2.gz VAPKKUHBZTYNRD-UHFFFAOYSA-N 2 2 284.404 0.102 20 0 CCADLP CCC[NH+]1CCC([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000567680285 358570559 /nfs/dbraw/zinc/57/05/59/358570559.db2.gz VIZLGVKYRGUDHS-MRXNPFEDSA-N 3 2 298.475 0.059 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000567741736 358580276 /nfs/dbraw/zinc/58/02/76/358580276.db2.gz CAEYYBJGUPANMO-GJZGRUSLSA-N 3 2 269.433 0.907 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000567741736 358580280 /nfs/dbraw/zinc/58/02/80/358580280.db2.gz CAEYYBJGUPANMO-GJZGRUSLSA-N 3 2 269.433 0.907 20 0 CCADLP C[C@H]([NH2+]CC1(CS(C)(=O)=O)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422919740 299280865 /nfs/dbraw/zinc/28/08/65/299280865.db2.gz KJAPZLQSECCLSU-RYUDHWBXSA-N 2 2 274.430 0.931 20 0 CCADLP C[C@]1(C[NH3+])CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000567889634 358607588 /nfs/dbraw/zinc/60/75/88/358607588.db2.gz DQSMVLHOBRJUTF-HZSPNIEDSA-N 2 2 253.390 0.520 20 0 CCADLP C[C@]1(C[NH3+])CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000567889634 358607592 /nfs/dbraw/zinc/60/75/92/358607592.db2.gz DQSMVLHOBRJUTF-HZSPNIEDSA-N 2 2 253.390 0.520 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH+](C)C ZINC000567966323 358618792 /nfs/dbraw/zinc/61/87/92/358618792.db2.gz FNLQAHXIZMUAPY-QWRGUYRKSA-N 2 2 250.346 0.512 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000568166932 358640034 /nfs/dbraw/zinc/64/00/34/358640034.db2.gz XKIPUGSWHWMPNA-CQSZACIVSA-N 2 2 264.373 0.369 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCN2CCOC[C@H]2C1 ZINC000568166932 358640035 /nfs/dbraw/zinc/64/00/35/358640035.db2.gz XKIPUGSWHWMPNA-CQSZACIVSA-N 2 2 264.373 0.369 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000568205054 358647233 /nfs/dbraw/zinc/64/72/33/358647233.db2.gz BVLCKIHGVXCKKM-LBPRGKRZSA-N 2 2 280.372 0.427 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@H+]1CCCOCC1 ZINC000568205054 358647237 /nfs/dbraw/zinc/64/72/37/358647237.db2.gz BVLCKIHGVXCKKM-LBPRGKRZSA-N 2 2 280.372 0.427 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000568205054 358647241 /nfs/dbraw/zinc/64/72/41/358647241.db2.gz BVLCKIHGVXCKKM-LBPRGKRZSA-N 2 2 280.372 0.427 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@H+]1CCCOCC1 ZINC000568205054 358647243 /nfs/dbraw/zinc/64/72/43/358647243.db2.gz BVLCKIHGVXCKKM-LBPRGKRZSA-N 2 2 280.372 0.427 20 0 CCADLP C[C@@H](O)CNc1cc(NC[C@@H]2CCC[N@H+](C)C2)nc[nH+]1 ZINC000568217086 358650545 /nfs/dbraw/zinc/65/05/45/358650545.db2.gz WLNACHBFOOEOHH-NEPJUHHUSA-N 2 2 279.388 0.445 20 0 CCADLP C[C@@H](O)CNc1cc(NC[C@@H]2CCC[N@@H+](C)C2)nc[nH+]1 ZINC000568217086 358650547 /nfs/dbraw/zinc/65/05/47/358650547.db2.gz WLNACHBFOOEOHH-NEPJUHHUSA-N 2 2 279.388 0.445 20 0 CCADLP C[C@@H](O)CNc1cc(NC[C@@H]2CCC[N@H+](C)C2)[nH+]cn1 ZINC000568217086 358650549 /nfs/dbraw/zinc/65/05/49/358650549.db2.gz WLNACHBFOOEOHH-NEPJUHHUSA-N 2 2 279.388 0.445 20 0 CCADLP C[C@@H](O)CNc1cc(NC[C@@H]2CCC[N@@H+](C)C2)[nH+]cn1 ZINC000568217086 358650552 /nfs/dbraw/zinc/65/05/52/358650552.db2.gz WLNACHBFOOEOHH-NEPJUHHUSA-N 2 2 279.388 0.445 20 0 CCADLP CN(CC(F)(F)F)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000568414531 358674582 /nfs/dbraw/zinc/67/45/82/358674582.db2.gz NOSNRAHUJOLWLW-QMMMGPOBSA-N 2 2 268.283 0.175 20 0 CCADLP CN(CC(F)(F)F)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000568414531 358674583 /nfs/dbraw/zinc/67/45/83/358674583.db2.gz NOSNRAHUJOLWLW-QMMMGPOBSA-N 2 2 268.283 0.175 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000569464867 358766029 /nfs/dbraw/zinc/76/60/29/358766029.db2.gz VSGDXNHYVKWITN-DGCLKSJQSA-N 2 2 272.352 0.734 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000569464867 358766032 /nfs/dbraw/zinc/76/60/32/358766032.db2.gz VSGDXNHYVKWITN-DGCLKSJQSA-N 2 2 272.352 0.734 20 0 CCADLP COc1coc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1=O ZINC000569984731 358812114 /nfs/dbraw/zinc/81/21/14/358812114.db2.gz ACGILQMRQYYSFC-ZJUUUORDSA-N 2 2 252.314 0.960 20 0 CCADLP COc1coc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1=O ZINC000569984731 358812116 /nfs/dbraw/zinc/81/21/16/358812116.db2.gz ACGILQMRQYYSFC-ZJUUUORDSA-N 2 2 252.314 0.960 20 0 CCADLP C[NH+]1CCC(O)(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000570096576 358822207 /nfs/dbraw/zinc/82/22/07/358822207.db2.gz ORIRGFWTKFKJRH-LBPRGKRZSA-N 2 2 292.383 0.018 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000569808403 358794673 /nfs/dbraw/zinc/79/46/73/358794673.db2.gz NXLKCKVBPPJRGC-NWDGAFQWSA-N 2 2 250.346 0.730 20 0 CCADLP COC(=O)CC1(C[N@H+]2CC[C@H](OC)C[C@H]2C[NH3+])CC1 ZINC000569810721 358795514 /nfs/dbraw/zinc/79/55/14/358795514.db2.gz AMZGIJOEKGRKHC-RYUDHWBXSA-N 2 2 270.373 0.768 20 0 CCADLP COC(=O)CC1(C[N@@H+]2CC[C@H](OC)C[C@H]2C[NH3+])CC1 ZINC000569810721 358795520 /nfs/dbraw/zinc/79/55/20/358795520.db2.gz AMZGIJOEKGRKHC-RYUDHWBXSA-N 2 2 270.373 0.768 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CC(C)C2)CC1 ZINC000569823752 358796517 /nfs/dbraw/zinc/79/65/17/358796517.db2.gz NSLFAZMISOWDMO-CQSZACIVSA-N 2 2 283.416 0.507 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)Cn1cc[nH+]c1)c1ccco1 ZINC000570213488 358834085 /nfs/dbraw/zinc/83/40/85/358834085.db2.gz KJVDZCWFVAEETA-NSHDSACASA-N 2 2 262.313 0.895 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CO)[C@H]1C ZINC000570223503 358835468 /nfs/dbraw/zinc/83/54/68/358835468.db2.gz YQYXNVCRCYRIBP-RDBSUJKOSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](CO)[C@H]1C ZINC000570223503 358835470 /nfs/dbraw/zinc/83/54/70/358835470.db2.gz YQYXNVCRCYRIBP-RDBSUJKOSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](CO)[C@H]1C ZINC000570223503 358835473 /nfs/dbraw/zinc/83/54/73/358835473.db2.gz YQYXNVCRCYRIBP-RDBSUJKOSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](CO)[C@H]1C ZINC000570223503 358835475 /nfs/dbraw/zinc/83/54/75/358835475.db2.gz YQYXNVCRCYRIBP-RDBSUJKOSA-N 2 2 274.405 0.018 20 0 CCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NCc1[nH]cc[nH+]1)CC2 ZINC000571113413 358913214 /nfs/dbraw/zinc/91/32/14/358913214.db2.gz KUQYNXRXQHVFCP-JTQLQIEISA-N 2 2 259.313 0.793 20 0 CCADLP COCC[N@@H+]1CC[C@H]([NH2+]CCC(=O)Nc2cccnc2)C1 ZINC000573438163 358966097 /nfs/dbraw/zinc/96/60/97/358966097.db2.gz CLSSEPDSLVJPDE-AWEZNQCLSA-N 2 2 292.383 0.721 20 0 CCADLP COCC[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2cccnc2)C1 ZINC000573438163 358966100 /nfs/dbraw/zinc/96/61/00/358966100.db2.gz CLSSEPDSLVJPDE-AWEZNQCLSA-N 2 2 292.383 0.721 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](CO)c1ccccc1 ZINC000573502916 358973328 /nfs/dbraw/zinc/97/33/28/358973328.db2.gz IPAVMWLDPIKRAB-CABCVRRESA-N 2 2 266.385 0.964 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](CO)c1ccccc1 ZINC000573502916 358973332 /nfs/dbraw/zinc/97/33/32/358973332.db2.gz IPAVMWLDPIKRAB-CABCVRRESA-N 2 2 266.385 0.964 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](CO)c1ccccc1 ZINC000573502916 358973336 /nfs/dbraw/zinc/97/33/36/358973336.db2.gz IPAVMWLDPIKRAB-CABCVRRESA-N 2 2 266.385 0.964 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](CO)c1ccccc1 ZINC000573502916 358973339 /nfs/dbraw/zinc/97/33/39/358973339.db2.gz IPAVMWLDPIKRAB-CABCVRRESA-N 2 2 266.385 0.964 20 0 CCADLP CC[N@H+](C)C[C@H]1CC[NH+](CCNC(=O)NC(C)C)C1 ZINC000574153716 359032662 /nfs/dbraw/zinc/03/26/62/359032662.db2.gz NBHLABIOAJDJMF-CYBMUJFWSA-N 2 2 270.421 0.968 20 0 CCADLP CC[N@@H+](C)C[C@H]1CC[NH+](CCNC(=O)NC(C)C)C1 ZINC000574153716 359032666 /nfs/dbraw/zinc/03/26/66/359032666.db2.gz NBHLABIOAJDJMF-CYBMUJFWSA-N 2 2 270.421 0.968 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@H+](CCNC(=O)NC(C)C)C1 ZINC000574153716 359032668 /nfs/dbraw/zinc/03/26/68/359032668.db2.gz NBHLABIOAJDJMF-CYBMUJFWSA-N 2 2 270.421 0.968 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@@H+](CCNC(=O)NC(C)C)C1 ZINC000574153716 359032674 /nfs/dbraw/zinc/03/26/74/359032674.db2.gz NBHLABIOAJDJMF-CYBMUJFWSA-N 2 2 270.421 0.968 20 0 CCADLP CNC(=O)CCC[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000574170759 359035150 /nfs/dbraw/zinc/03/51/50/359035150.db2.gz SAGBJSAOECBXHL-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP CNC(=O)CCC[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000574170759 359035154 /nfs/dbraw/zinc/03/51/54/359035154.db2.gz SAGBJSAOECBXHL-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000573699769 358991872 /nfs/dbraw/zinc/99/18/72/358991872.db2.gz QZRNVYXGUBWQMS-SNVBAGLBSA-N 2 2 251.334 0.693 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000573699769 358991873 /nfs/dbraw/zinc/99/18/73/358991873.db2.gz QZRNVYXGUBWQMS-SNVBAGLBSA-N 2 2 251.334 0.693 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000573797311 358999533 /nfs/dbraw/zinc/99/95/33/358999533.db2.gz CVGYELOEJJEDEZ-PWSUYJOCSA-N 2 2 298.412 0.370 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000573797311 358999537 /nfs/dbraw/zinc/99/95/37/358999537.db2.gz CVGYELOEJJEDEZ-PWSUYJOCSA-N 2 2 298.412 0.370 20 0 CCADLP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)C1 ZINC000584665302 359189999 /nfs/dbraw/zinc/18/99/99/359189999.db2.gz HWZRVCKHDICSSN-NWDGAFQWSA-N 3 2 278.404 0.631 20 0 CCADLP C[C@H](C(=O)N(C)CCCN1CC[NH+](C)CC1)[NH+]1CC(C)C1 ZINC000582368676 359139340 /nfs/dbraw/zinc/13/93/40/359139340.db2.gz OJUQQRZTAOYNKJ-OAHLLOKOSA-N 2 2 296.459 0.423 20 0 CCADLP C[C@H](C(=O)N(C)CCC[NH+]1CCN(C)CC1)[NH+]1CC(C)C1 ZINC000582368676 359139347 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C[C@H]1CN(CC[N@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)CCO1 ZINC000584061587 359165473 /nfs/dbraw/zinc/16/54/73/359165473.db2.gz PFDUSVAGLQESMN-SOUVJXGZSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@H]1CN(CC[N@@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)CCO1 ZINC000584061587 359165476 /nfs/dbraw/zinc/16/54/76/359165476.db2.gz PFDUSVAGLQESMN-SOUVJXGZSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@H]1CN(CC[NH+]2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)CCO1 ZINC000584061587 359165481 /nfs/dbraw/zinc/16/54/81/359165481.db2.gz PFDUSVAGLQESMN-SOUVJXGZSA-N 2 2 267.417 0.876 20 0 CCADLP C[C@H]1CN(CC[NH+]2[C@@H]3CC[C@H]2CC[N@H+](C)C3)CCO1 ZINC000584061587 359165485 /nfs/dbraw/zinc/16/54/85/359165485.db2.gz PFDUSVAGLQESMN-SOUVJXGZSA-N 2 2 267.417 0.876 20 0 CCADLP OCC1([NH2+]CC2CC2)CC[NH+]([C@H]2CCOC2)CC1 ZINC000584843842 359217686 /nfs/dbraw/zinc/21/76/86/359217686.db2.gz UJPQBGKFGLBZTC-ZDUSSCGKSA-N 2 2 254.374 0.602 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1nnc(C(C)(C)C)[nH]1 ZINC000562956834 291174719 /nfs/dbraw/zinc/17/47/19/291174719.db2.gz OHMTWYPXGYCIHZ-WDEREUQCSA-N 2 2 281.404 0.959 20 0 CCADLP C[C@H](O)[C@H](C)[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000562986988 291178804 /nfs/dbraw/zinc/17/88/04/291178804.db2.gz KVHSMVOVWUKTIZ-GJZGRUSLSA-N 3 2 292.427 0.953 20 0 CCADLP CSCCC[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000562995743 291179533 /nfs/dbraw/zinc/17/95/33/291179533.db2.gz MHWXNKBVHZJFCI-UPJWGTAASA-N 2 2 276.446 0.799 20 0 CCADLP C[C@@H]1C[NH+]=C(N2CCN(C(=O)/C=C\C[NH+](C)C)CC2)S1 ZINC000491924348 237025634 /nfs/dbraw/zinc/02/56/34/237025634.db2.gz IRMXXOLLISENOL-QMAVJUDZSA-N 2 2 296.440 0.740 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000563032986 291183151 /nfs/dbraw/zinc/18/31/51/291183151.db2.gz SXCBRDKMIGQBFU-WCQYABFASA-N 2 2 277.372 0.656 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000563064436 291186698 /nfs/dbraw/zinc/18/66/98/291186698.db2.gz KYKBFRIQVKUQGF-PWSUYJOCSA-N 2 2 282.413 0.989 20 0 CCADLP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000563064436 291186700 /nfs/dbraw/zinc/18/67/00/291186700.db2.gz KYKBFRIQVKUQGF-PWSUYJOCSA-N 2 2 282.413 0.989 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000296938930 200040819 /nfs/dbraw/zinc/04/08/19/200040819.db2.gz AIPKRIWQKCIXEG-CYBMUJFWSA-N 2 2 280.372 0.107 20 0 CCADLP CC(C)NC(=O)NCC[N@H+](C)CCCn1cc[nH+]c1 ZINC000563061378 291186485 /nfs/dbraw/zinc/18/64/85/291186485.db2.gz HDDMDVHXTXFCGO-UHFFFAOYSA-N 2 2 267.377 0.913 20 0 CCADLP CC(C)NC(=O)NCC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000563061378 291186487 /nfs/dbraw/zinc/18/64/87/291186487.db2.gz HDDMDVHXTXFCGO-UHFFFAOYSA-N 2 2 267.377 0.913 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)[C@H](C)C1 ZINC000591686758 359639522 /nfs/dbraw/zinc/63/95/22/359639522.db2.gz XZUCFGWMYMKJIT-YPMHNXCESA-N 2 2 297.399 0.080 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)[C@H](C)C1 ZINC000591686758 359639523 /nfs/dbraw/zinc/63/95/23/359639523.db2.gz XZUCFGWMYMKJIT-YPMHNXCESA-N 2 2 297.399 0.080 20 0 CCADLP CN(C(=O)C=Cc1c[nH]c[nH+]1)[C@H]1C[NH+]2CCC1CC2 ZINC000492758438 237287873 /nfs/dbraw/zinc/28/78/73/237287873.db2.gz ALPUGRSJTPUCON-ZRMMWKCHSA-N 2 2 260.341 0.976 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000297347453 200157276 /nfs/dbraw/zinc/15/72/76/200157276.db2.gz HPWZKJKXJMJBOB-UHFFFAOYSA-N 2 2 294.399 0.761 20 0 CCADLP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ncc[nH]2)CC1 ZINC000329285947 202267448 /nfs/dbraw/zinc/26/74/48/202267448.db2.gz PBIMJBCIUZMONR-CHWSQXEVSA-N 2 2 264.373 0.877 20 0 CCADLP O[C@@H]1CCC[C@H]1[NH+]1CCC(NCc2[nH]cc[nH+]2)CC1 ZINC000329285947 202267451 /nfs/dbraw/zinc/26/74/51/202267451.db2.gz PBIMJBCIUZMONR-CHWSQXEVSA-N 2 2 264.373 0.877 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329296704 202271760 /nfs/dbraw/zinc/27/17/60/202271760.db2.gz TVDAEOYNSPPWIJ-AWEZNQCLSA-N 2 2 292.383 0.666 20 0 CCADLP COC(=O)c1cn([C@@H]2CCC[N@H+](C[C@H](C)[NH3+])C2)nn1 ZINC000563153716 291200068 /nfs/dbraw/zinc/20/00/68/291200068.db2.gz FARNZOXSKXJILE-VHSXEESVSA-N 2 2 267.333 0.049 20 0 CCADLP COC(=O)c1cn([C@@H]2CCC[N@@H+](C[C@H](C)[NH3+])C2)nn1 ZINC000563153716 291200070 /nfs/dbraw/zinc/20/00/70/291200070.db2.gz FARNZOXSKXJILE-VHSXEESVSA-N 2 2 267.333 0.049 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(CO)CCCC1 ZINC000134149362 296001021 /nfs/dbraw/zinc/00/10/21/296001021.db2.gz PKQJMKZQLRXVCS-QWHCGFSZSA-N 2 2 256.390 0.896 20 0 CCADLP Cn1cc(C[NH+]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000592314515 359816984 /nfs/dbraw/zinc/81/69/84/359816984.db2.gz BRXNSDZDXRKTMK-CQSZACIVSA-N 2 2 291.399 0.016 20 0 CCADLP Cn1cc(C[NH+]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000592314515 359816985 /nfs/dbraw/zinc/81/69/85/359816985.db2.gz BRXNSDZDXRKTMK-CQSZACIVSA-N 2 2 291.399 0.016 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000563171440 291202497 /nfs/dbraw/zinc/20/24/97/291202497.db2.gz XEROIINIFMTCKQ-SCRDCRAPSA-N 2 2 283.416 0.872 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000563171440 291202499 /nfs/dbraw/zinc/20/24/99/291202499.db2.gz XEROIINIFMTCKQ-SCRDCRAPSA-N 2 2 283.416 0.872 20 0 CCADLP COC(=O)CC1(C[N@@H+]2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000592475641 359851211 /nfs/dbraw/zinc/85/12/11/359851211.db2.gz RGMIPXCJUOHRGY-WDEREUQCSA-N 2 2 256.346 0.378 20 0 CCADLP COC(=O)CC1(C[N@H+]2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000592475641 359851219 /nfs/dbraw/zinc/85/12/19/359851219.db2.gz RGMIPXCJUOHRGY-WDEREUQCSA-N 2 2 256.346 0.378 20 0 CCADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)CC[C@@H]1[NH3+] ZINC000592488270 359854618 /nfs/dbraw/zinc/85/46/18/359854618.db2.gz IWVPCYBKKQBJDL-TUAOUCFPSA-N 2 2 284.404 0.668 20 0 CCADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)CC[C@@H]1[NH3+] ZINC000592488270 359854624 /nfs/dbraw/zinc/85/46/24/359854624.db2.gz IWVPCYBKKQBJDL-TUAOUCFPSA-N 2 2 284.404 0.668 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000592504097 359864002 /nfs/dbraw/zinc/86/40/02/359864002.db2.gz MLCRLJKVWQYGLA-ZIAGYGMSSA-N 2 2 297.447 0.016 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000592504097 359864005 /nfs/dbraw/zinc/86/40/05/359864005.db2.gz MLCRLJKVWQYGLA-ZIAGYGMSSA-N 2 2 297.447 0.016 20 0 CCADLP C[N@@H+]1CC[C@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000329487315 202355904 /nfs/dbraw/zinc/35/59/04/202355904.db2.gz RKWHDHZDRZGFIS-AWEZNQCLSA-N 2 2 262.357 0.897 20 0 CCADLP C[N@H+]1CC[C@]2(CCN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC000329487315 202355905 /nfs/dbraw/zinc/35/59/05/202355905.db2.gz RKWHDHZDRZGFIS-AWEZNQCLSA-N 2 2 262.357 0.897 20 0 CCADLP C[C@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000423112662 299302447 /nfs/dbraw/zinc/30/24/47/299302447.db2.gz SNYPYOPMXRHXHP-QJPTWQEYSA-N 2 2 295.349 0.980 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[NH2+]1 ZINC000621151583 366653305 /nfs/dbraw/zinc/65/33/05/366653305.db2.gz DNDFTBYPINIOTO-CHWSQXEVSA-N 2 2 276.384 0.902 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)[C@H](c2c[nH+]cn2C)N(C)C)CC[NH2+]1 ZINC000621158826 366661494 /nfs/dbraw/zinc/66/14/94/366661494.db2.gz YJZUCBOCZUCFBY-JSGCOSHPSA-N 2 2 293.415 0.479 20 0 CCADLP C[C@@H](O)CNc1cc(NCC[N@H+](C)C2CC2)nc[nH+]1 ZINC000298186591 200355526 /nfs/dbraw/zinc/35/55/26/200355526.db2.gz HARZPWYBGCDZPH-SNVBAGLBSA-N 2 2 265.361 0.775 20 0 CCADLP C[C@@H](O)CNc1cc(NCC[N@@H+](C)C2CC2)nc[nH+]1 ZINC000298186591 200355527 /nfs/dbraw/zinc/35/55/27/200355527.db2.gz HARZPWYBGCDZPH-SNVBAGLBSA-N 2 2 265.361 0.775 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCOC[C@@H]1C1CCC1 ZINC000563364757 291217969 /nfs/dbraw/zinc/21/79/69/291217969.db2.gz KLJJQWUYVLJREF-UONOGXRCSA-N 2 2 256.390 0.800 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCOC[C@@H]1C1CCC1 ZINC000563364757 291217970 /nfs/dbraw/zinc/21/79/70/291217970.db2.gz KLJJQWUYVLJREF-UONOGXRCSA-N 2 2 256.390 0.800 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000563364757 291217971 /nfs/dbraw/zinc/21/79/71/291217971.db2.gz KLJJQWUYVLJREF-UONOGXRCSA-N 2 2 256.390 0.800 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000563364757 291217973 /nfs/dbraw/zinc/21/79/73/291217973.db2.gz KLJJQWUYVLJREF-UONOGXRCSA-N 2 2 256.390 0.800 20 0 CCADLP COC(=O)c1ccc(F)c(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000593902384 360201531 /nfs/dbraw/zinc/20/15/31/360201531.db2.gz SESSIAMADFOXNJ-LLVKDONJSA-N 2 2 297.330 0.830 20 0 CCADLP CCOC(=O)C1CCC(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000593904467 360201926 /nfs/dbraw/zinc/20/19/26/360201926.db2.gz XPDIEWWFHFIDAH-BPCQOVAHSA-N 2 2 299.415 0.504 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)[C@@H]1CCC[NH2+]1 ZINC000423116223 299306846 /nfs/dbraw/zinc/30/68/46/299306846.db2.gz ZYTTVDAIUVHDJI-AVGNSLFASA-N 2 2 289.445 0.531 20 0 CCADLP COC(=O)[C@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)CC(C)C ZINC000593909248 360205559 /nfs/dbraw/zinc/20/55/59/360205559.db2.gz IXDXULDINOJSKY-NWDGAFQWSA-N 2 2 287.404 0.217 20 0 CCADLP C[C@H](C[S@](C)=O)[N@H+](C)C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000594611336 360340194 /nfs/dbraw/zinc/34/01/94/360340194.db2.gz IPGJLJCMRUREFN-UHYGZKCKSA-N 2 2 288.457 0.939 20 0 CCADLP C[C@H](C[S@](C)=O)[N@@H+](C)C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000594611336 360340195 /nfs/dbraw/zinc/34/01/95/360340195.db2.gz IPGJLJCMRUREFN-UHYGZKCKSA-N 2 2 288.457 0.939 20 0 CCADLP CC(C)n1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cn1 ZINC000594737047 360371408 /nfs/dbraw/zinc/37/14/08/360371408.db2.gz XIYQCOBUDLIHSG-CHWSQXEVSA-N 2 2 277.372 0.208 20 0 CCADLP CC(C)n1cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cn1 ZINC000594737047 360371410 /nfs/dbraw/zinc/37/14/10/360371410.db2.gz XIYQCOBUDLIHSG-CHWSQXEVSA-N 2 2 277.372 0.208 20 0 CCADLP C[NH+](C)C(C)(C)C[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000595139451 360443256 /nfs/dbraw/zinc/44/32/56/360443256.db2.gz QMRRQJLEFSOTRG-LLVKDONJSA-N 2 2 251.378 0.855 20 0 CCADLP C[C@@H](CSCCF)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000595017824 360433529 /nfs/dbraw/zinc/43/35/29/360433529.db2.gz LTBNKPDIUUKCFC-NWDGAFQWSA-N 2 2 263.426 0.913 20 0 CCADLP C[C@@H](CSCCF)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000595017824 360433533 /nfs/dbraw/zinc/43/35/33/360433533.db2.gz LTBNKPDIUUKCFC-NWDGAFQWSA-N 2 2 263.426 0.913 20 0 CCADLP COc1c(N)[nH+]cnc1N1CCC(OCC[NH+](C)C)CC1 ZINC000563420101 291227189 /nfs/dbraw/zinc/22/71/89/291227189.db2.gz LANLTTBQVSPIPB-UHFFFAOYSA-N 2 2 295.387 0.614 20 0 CCADLP COc1c(N)nc[nH+]c1N1CCC(OCC[NH+](C)C)CC1 ZINC000563420101 291227192 /nfs/dbraw/zinc/22/71/92/291227192.db2.gz LANLTTBQVSPIPB-UHFFFAOYSA-N 2 2 295.387 0.614 20 0 CCADLP [NH3+]C[C@@H](NC(=O)N[C@@H]1CCn2cc[nH+]c2C1)C(F)(F)F ZINC000655924061 412700635 /nfs/dbraw/zinc/70/06/35/412700635.db2.gz FCKMWUPVQRVBBK-HTQZYQBOSA-N 2 2 291.277 0.387 20 0 CCADLP O=C1N=NCN1C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000684836536 545747636 /nfs/dbraw/zinc/74/76/36/545747636.db2.gz NSSXLUYDYJFYOM-UHFFFAOYSA-N 2 2 276.344 0.907 20 0 CCADLP O=C(NC[C@@H]1C[NH2+]CCCO1)Nc1ccn2cc[nH+]c2c1 ZINC000563491966 291233288 /nfs/dbraw/zinc/23/32/88/291233288.db2.gz PINGELWGRLTIBA-LBPRGKRZSA-N 2 2 289.339 0.834 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(O)Cc2ccccc2C1 ZINC000563528177 291234614 /nfs/dbraw/zinc/23/46/14/291234614.db2.gz ARJWLTAUWYRJCL-XJKSGUPXSA-N 2 2 290.407 0.873 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+](C)CC(C)(C)[NH3+] ZINC000595901359 360697206 /nfs/dbraw/zinc/69/72/06/360697206.db2.gz FUMYDOFVKOPOOF-MRVPVSSYSA-N 2 2 256.350 0.032 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000595901359 360697208 /nfs/dbraw/zinc/69/72/08/360697208.db2.gz FUMYDOFVKOPOOF-MRVPVSSYSA-N 2 2 256.350 0.032 20 0 CCADLP CCOCCC1(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000563585447 291239067 /nfs/dbraw/zinc/23/90/67/291239067.db2.gz HEDWKRRGNWIPFK-ZDUSSCGKSA-N 2 2 298.431 0.478 20 0 CCADLP CCOCCC1(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000563585447 291239071 /nfs/dbraw/zinc/23/90/71/291239071.db2.gz HEDWKRRGNWIPFK-ZDUSSCGKSA-N 2 2 298.431 0.478 20 0 CCADLP CCn1nccc1/C=C/C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000493599258 238236614 /nfs/dbraw/zinc/23/66/14/238236614.db2.gz ROBCDHIFQLXZMG-MUBLQREKSA-N 2 2 277.372 0.018 20 0 CCADLP CCn1nccc1/C=C/C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000493599258 238236629 /nfs/dbraw/zinc/23/66/29/238236629.db2.gz ROBCDHIFQLXZMG-MUBLQREKSA-N 2 2 277.372 0.018 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC(C)(C)C(C)(C)O)[C@H](C[NH3+])C1 ZINC000563605812 291241127 /nfs/dbraw/zinc/24/11/27/291241127.db2.gz HLKKHPQEMDZFBP-LLVKDONJSA-N 2 2 286.420 0.068 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC(C)(C)C(C)(C)O)[C@H](C[NH3+])C1 ZINC000563605812 291241128 /nfs/dbraw/zinc/24/11/28/291241128.db2.gz HLKKHPQEMDZFBP-LLVKDONJSA-N 2 2 286.420 0.068 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@H](C2CC2)C2CCC2)[C@H](C[NH3+])C1 ZINC000563606941 291241301 /nfs/dbraw/zinc/24/13/01/291241301.db2.gz YWRCFVDWOACFRU-KGLIPLIRSA-N 2 2 280.416 0.849 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@H](C2CC2)C2CCC2)[C@H](C[NH3+])C1 ZINC000563606941 291241302 /nfs/dbraw/zinc/24/13/02/291241302.db2.gz YWRCFVDWOACFRU-KGLIPLIRSA-N 2 2 280.416 0.849 20 0 CCADLP C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)[C@H](C)[NH3+] ZINC000563810640 291251879 /nfs/dbraw/zinc/25/18/79/291251879.db2.gz RNYRTPRDDUVDAN-DTWKUNHWSA-N 2 2 260.301 0.128 20 0 CCADLP CNC(=O)CCC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000563856360 291254235 /nfs/dbraw/zinc/25/42/35/291254235.db2.gz YNRPWOFIBZBHRL-UHFFFAOYSA-N 2 2 265.361 0.068 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000597977423 361298184 /nfs/dbraw/zinc/29/81/84/361298184.db2.gz KFEKCLKVMHTNEP-LBPRGKRZSA-N 2 2 286.401 0.459 20 0 CCADLP CCS(=O)(=O)NCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000597977423 361298186 /nfs/dbraw/zinc/29/81/86/361298186.db2.gz KFEKCLKVMHTNEP-LBPRGKRZSA-N 2 2 286.401 0.459 20 0 CCADLP NC(=O)[C@H](c1ccccc1)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000564019359 291262932 /nfs/dbraw/zinc/26/29/32/291262932.db2.gz MWXIOKBPVWODSL-ZDUSSCGKSA-N 2 2 285.351 0.758 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccccn2)C[C@H]1C[NH3+] ZINC000631828093 370694546 /nfs/dbraw/zinc/69/45/46/370694546.db2.gz FCSZQTDTZAOGOO-NWDGAFQWSA-N 2 2 262.357 0.937 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccccn2)C[C@H]1C[NH3+] ZINC000631828093 370694554 /nfs/dbraw/zinc/69/45/54/370694554.db2.gz FCSZQTDTZAOGOO-NWDGAFQWSA-N 2 2 262.357 0.937 20 0 CCADLP CCCn1nccc1NC(=O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000631823281 370688078 /nfs/dbraw/zinc/68/80/78/370688078.db2.gz AHEUXRJNOTZNPS-VXGBXAGGSA-N 2 2 279.388 0.901 20 0 CCADLP CCCn1nccc1NC(=O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000631823281 370688085 /nfs/dbraw/zinc/68/80/85/370688085.db2.gz AHEUXRJNOTZNPS-VXGBXAGGSA-N 2 2 279.388 0.901 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCc2c(cnn2C)C1 ZINC000564098373 291266143 /nfs/dbraw/zinc/26/61/43/291266143.db2.gz NIZSBWYJWVZUFN-CQSZACIVSA-N 2 2 296.415 0.107 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCc2c(cnn2C)C1 ZINC000564098373 291266146 /nfs/dbraw/zinc/26/61/46/291266146.db2.gz NIZSBWYJWVZUFN-CQSZACIVSA-N 2 2 296.415 0.107 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCc2c(cnn2C)C1 ZINC000564098373 291266148 /nfs/dbraw/zinc/26/61/48/291266148.db2.gz NIZSBWYJWVZUFN-CQSZACIVSA-N 2 2 296.415 0.107 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCc2c(cnn2C)C1 ZINC000564098373 291266151 /nfs/dbraw/zinc/26/61/51/291266151.db2.gz NIZSBWYJWVZUFN-CQSZACIVSA-N 2 2 296.415 0.107 20 0 CCADLP CN(CC[NH+](C)C)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000611827527 363788941 /nfs/dbraw/zinc/78/89/41/363788941.db2.gz WQVUMAUSXHEGDM-JTQLQIEISA-N 2 2 250.346 0.535 20 0 CCADLP C[C@H](CNC(=O)CC[C@@H]1CCC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000621653360 366818683 /nfs/dbraw/zinc/81/86/83/366818683.db2.gz WFZXNISHQMOFJV-CABCVRRESA-N 2 2 296.459 0.518 20 0 CCADLP CC[N@H+]1C[C@@H](C)N(C(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](C)C1 ZINC000564352766 291276783 /nfs/dbraw/zinc/27/67/83/291276783.db2.gz VCBVCROCNIASKW-XQQFMLRXSA-N 2 2 269.389 0.258 20 0 CCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](C)C1 ZINC000564352766 291276784 /nfs/dbraw/zinc/27/67/84/291276784.db2.gz VCBVCROCNIASKW-XQQFMLRXSA-N 2 2 269.389 0.258 20 0 CCADLP CC[NH+]1C[C@@H](C)N(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](C)C1 ZINC000564352766 291276785 /nfs/dbraw/zinc/27/67/85/291276785.db2.gz VCBVCROCNIASKW-XQQFMLRXSA-N 2 2 269.389 0.258 20 0 CCADLP CC[NH+]1C[C@@H](C)N(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](C)C1 ZINC000564352766 291276787 /nfs/dbraw/zinc/27/67/87/291276787.db2.gz VCBVCROCNIASKW-XQQFMLRXSA-N 2 2 269.389 0.258 20 0 CCADLP Cc1cc(NC[C@](C)(O)C[NH+]2CCOCC2)nc(C)[nH+]1 ZINC000301794748 201202566 /nfs/dbraw/zinc/20/25/66/201202566.db2.gz YFGQFAOVOUAEMT-AWEZNQCLSA-N 2 2 280.372 0.589 20 0 CCADLP COC(=O)CCCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000599300586 361641359 /nfs/dbraw/zinc/64/13/59/361641359.db2.gz SYESZUBCQSTNHD-CQSZACIVSA-N 2 2 284.400 0.984 20 0 CCADLP COC(=O)CCCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000599300586 361641363 /nfs/dbraw/zinc/64/13/63/361641363.db2.gz SYESZUBCQSTNHD-CQSZACIVSA-N 2 2 284.400 0.984 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1C[N@H+](C)CCO1 ZINC000612669346 363984353 /nfs/dbraw/zinc/98/43/53/363984353.db2.gz GEJWRAYRAGKULI-BYNQJWBRSA-N 2 2 292.383 0.359 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000612669346 363984355 /nfs/dbraw/zinc/98/43/55/363984355.db2.gz GEJWRAYRAGKULI-BYNQJWBRSA-N 2 2 292.383 0.359 20 0 CCADLP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C1([NH+](C)C)CC1 ZINC000612848945 364023502 /nfs/dbraw/zinc/02/35/02/364023502.db2.gz MVRXIDVNYBQQHA-UHFFFAOYSA-N 2 2 297.443 0.897 20 0 CCADLP C[C@]1(NC(=O)NCc2cn3ccccc3[nH+]2)CC[NH2+]C1 ZINC000612861843 364024305 /nfs/dbraw/zinc/02/43/05/364024305.db2.gz DUOLWSOUNWEDMW-AWEZNQCLSA-N 2 2 273.340 0.886 20 0 CCADLP C[C@]1(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC[NH2+]C1 ZINC000612896087 364036368 /nfs/dbraw/zinc/03/63/68/364036368.db2.gz OKPKKDJDMDMEPB-DOMZBBRYSA-N 2 2 289.383 0.712 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612964451 364056196 /nfs/dbraw/zinc/05/61/96/364056196.db2.gz RLOLDUBYGLIZHQ-CHWSQXEVSA-N 2 2 296.415 0.148 20 0 CCADLP C[C@@H]1C[N@@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C[C@H]1C[NH3+] ZINC000631839944 370705271 /nfs/dbraw/zinc/70/52/71/370705271.db2.gz MZSUJHRGQPNADM-OPRDCNLKSA-N 2 2 279.306 0.676 20 0 CCADLP C[C@@H]1C[N@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C[C@H]1C[NH3+] ZINC000631839944 370705279 /nfs/dbraw/zinc/70/52/79/370705279.db2.gz MZSUJHRGQPNADM-OPRDCNLKSA-N 2 2 279.306 0.676 20 0 CCADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCc1nnnn1-c1ccccc1 ZINC000631860375 370721037 /nfs/dbraw/zinc/72/10/37/370721037.db2.gz XPPDJZVXYXUEIY-RYUDHWBXSA-N 2 2 272.356 0.626 20 0 CCADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCc1nnnn1-c1ccccc1 ZINC000631860375 370721042 /nfs/dbraw/zinc/72/10/42/370721042.db2.gz XPPDJZVXYXUEIY-RYUDHWBXSA-N 2 2 272.356 0.626 20 0 CCADLP Cc1cc(NC(=O)CC[N@H+]2C[C@@H]([NH3+])C[C@@H]2C)no1 ZINC000631858768 370721157 /nfs/dbraw/zinc/72/11/57/370721157.db2.gz DJCUQXUNLKWKAA-WPRPVWTQSA-N 2 2 252.318 0.155 20 0 CCADLP Cc1cc(NC(=O)CC[N@@H+]2C[C@@H]([NH3+])C[C@@H]2C)no1 ZINC000631858768 370721161 /nfs/dbraw/zinc/72/11/61/370721161.db2.gz DJCUQXUNLKWKAA-WPRPVWTQSA-N 2 2 252.318 0.155 20 0 CCADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCCN1C(=O)NC(C)(C)C1=O ZINC000631859243 370721445 /nfs/dbraw/zinc/72/14/45/370721445.db2.gz LKYHSBGISLNDFN-UWVGGRQHSA-N 2 2 268.361 0.128 20 0 CCADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCCN1C(=O)NC(C)(C)C1=O ZINC000631859243 370721449 /nfs/dbraw/zinc/72/14/49/370721449.db2.gz LKYHSBGISLNDFN-UWVGGRQHSA-N 2 2 268.361 0.128 20 0 CCADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccccc1-n1ccnn1 ZINC000564827959 291303287 /nfs/dbraw/zinc/30/32/87/291303287.db2.gz AOBRNKLMLMNIRW-OLZOCXBDSA-N 2 2 287.367 0.906 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)CC1 ZINC000631890452 370739644 /nfs/dbraw/zinc/73/96/44/370739644.db2.gz POLKYTJWLXFESH-GJZGRUSLSA-N 3 2 294.443 0.224 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)CC1 ZINC000631890452 370739650 /nfs/dbraw/zinc/73/96/50/370739650.db2.gz POLKYTJWLXFESH-GJZGRUSLSA-N 3 2 294.443 0.224 20 0 CCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H]1CC[NH2+]1 ZINC000564841553 291305782 /nfs/dbraw/zinc/30/57/82/291305782.db2.gz MSCIMLDOWDFCBD-GFCCVEGCSA-N 2 2 276.340 0.527 20 0 CCADLP CC[N@@H+]1CCCN(S(=O)(=O)CC2([NH+](C)C)CC2)CC1 ZINC000631903333 370750141 /nfs/dbraw/zinc/75/01/41/370750141.db2.gz FVYXRUQSPNJQPM-UHFFFAOYSA-N 2 2 289.445 0.438 20 0 CCADLP CC[N@H+]1CCCN(S(=O)(=O)CC2([NH+](C)C)CC2)CC1 ZINC000631903333 370750146 /nfs/dbraw/zinc/75/01/46/370750146.db2.gz FVYXRUQSPNJQPM-UHFFFAOYSA-N 2 2 289.445 0.438 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000613672294 364335538 /nfs/dbraw/zinc/33/55/38/364335538.db2.gz QZRKAYHYAMXDKW-YNEHKIRRSA-N 2 2 292.383 0.049 20 0 CCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)C1([NH+](C)C)CC1 ZINC000613603013 364311073 /nfs/dbraw/zinc/31/10/73/364311073.db2.gz OATGHFFOMJDFGC-CYBMUJFWSA-N 2 2 282.432 0.223 20 0 CCADLP CCOC(=O)[C@](C)(O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000613855630 364411113 /nfs/dbraw/zinc/41/11/13/364411113.db2.gz UYZHIEYATVFAJH-GXTWGEPZSA-N 2 2 281.356 0.834 20 0 CCADLP CCOC(=O)[C@](C)(O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000613855630 364411118 /nfs/dbraw/zinc/41/11/18/364411118.db2.gz UYZHIEYATVFAJH-GXTWGEPZSA-N 2 2 281.356 0.834 20 0 CCADLP C[NH+]1CC2(C1)CCN(C(=O)Cc1cn3c([nH+]1)CCCC3)C2 ZINC000614033958 364467531 /nfs/dbraw/zinc/46/75/31/364467531.db2.gz RTQOUXRVXZWVFC-UHFFFAOYSA-N 2 2 288.395 0.926 20 0 CCADLP C[C@H](CC(=O)N1CCC2(C[NH+](C)C2)C1)n1cc[nH+]c1 ZINC000614034672 364467802 /nfs/dbraw/zinc/46/78/02/364467802.db2.gz ZSTGTFFFQXKBES-GFCCVEGCSA-N 2 2 262.357 0.998 20 0 CCADLP C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)c2c[nH]c[nH+]2)C1 ZINC000621708053 366847753 /nfs/dbraw/zinc/84/77/53/366847753.db2.gz HHBRKUOQQXHCRO-SNVBAGLBSA-N 2 2 250.346 0.898 20 0 CCADLP C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)c2c[nH]c[nH+]2)C1 ZINC000621708053 366847759 /nfs/dbraw/zinc/84/77/59/366847759.db2.gz HHBRKUOQQXHCRO-SNVBAGLBSA-N 2 2 250.346 0.898 20 0 CCADLP C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000621708053 366847765 /nfs/dbraw/zinc/84/77/65/366847765.db2.gz HHBRKUOQQXHCRO-SNVBAGLBSA-N 2 2 250.346 0.898 20 0 CCADLP C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000621708053 366847771 /nfs/dbraw/zinc/84/77/71/366847771.db2.gz HHBRKUOQQXHCRO-SNVBAGLBSA-N 2 2 250.346 0.898 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)C1 ZINC000614094817 364500815 /nfs/dbraw/zinc/50/08/15/364500815.db2.gz QCEDSXIPEAVUNZ-IHRRRGAJSA-N 2 2 299.390 0.352 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)C1 ZINC000614094817 364500816 /nfs/dbraw/zinc/50/08/16/364500816.db2.gz QCEDSXIPEAVUNZ-IHRRRGAJSA-N 2 2 299.390 0.352 20 0 CCADLP OCC1([NH2+]Cc2cncc(Cl)c2)CC[NH2+]CC1 ZINC000621776139 366863665 /nfs/dbraw/zinc/86/36/65/366863665.db2.gz CYMPJJYKQNMNSE-UHFFFAOYSA-N 2 2 255.749 0.939 20 0 CCADLP [NH3+]CC1CC[NH+](Cc2nnnn2CC2CCOCC2)CC1 ZINC000564988080 291331415 /nfs/dbraw/zinc/33/14/15/291331415.db2.gz DIEKCSLFZIACMQ-UHFFFAOYSA-N 2 2 294.403 0.270 20 0 CCADLP C[C@](C[NH3+])([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)C1CC1 ZINC000430589161 291332823 /nfs/dbraw/zinc/33/28/23/291332823.db2.gz COFVXCPXBUXCLW-MWLCHTKSSA-N 2 2 279.306 0.867 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000615610221 365022112 /nfs/dbraw/zinc/02/21/12/365022112.db2.gz VDNBZBCSYMUWMM-ZBFHGGJFSA-N 2 2 295.427 0.651 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000615610221 365022116 /nfs/dbraw/zinc/02/21/16/365022116.db2.gz VDNBZBCSYMUWMM-ZBFHGGJFSA-N 2 2 295.427 0.651 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000615610221 365022120 /nfs/dbraw/zinc/02/21/20/365022120.db2.gz VDNBZBCSYMUWMM-ZBFHGGJFSA-N 2 2 295.427 0.651 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000615610221 365022126 /nfs/dbraw/zinc/02/21/26/365022126.db2.gz VDNBZBCSYMUWMM-ZBFHGGJFSA-N 2 2 295.427 0.651 20 0 CCADLP Cn1ncc2c1nc(N)[nH+]c2NCCn1cc[nH+]c1 ZINC000656106214 412742380 /nfs/dbraw/zinc/74/23/80/412742380.db2.gz QXRXGZGDGGOCHC-UHFFFAOYSA-N 2 2 258.289 0.254 20 0 CCADLP CN1C[C@H]([N@H+](C)CCCn2cc[nH+]c2)CCC1=O ZINC000565171594 291351417 /nfs/dbraw/zinc/35/14/17/291351417.db2.gz LHQZPTONZKVBJX-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP CN1C[C@H]([N@@H+](C)CCCn2cc[nH+]c2)CCC1=O ZINC000565171594 291351418 /nfs/dbraw/zinc/35/14/18/291351418.db2.gz LHQZPTONZKVBJX-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000656118525 412744070 /nfs/dbraw/zinc/74/40/70/412744070.db2.gz PYXVGRMAAWEGHQ-GHMZBOCLSA-N 2 2 293.371 0.103 20 0 CCADLP C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000621959685 366950075 /nfs/dbraw/zinc/95/00/75/366950075.db2.gz CBJGTICIESVYJR-SWLSCSKDSA-N 2 2 294.399 0.264 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000622096931 367023126 /nfs/dbraw/zinc/02/31/26/367023126.db2.gz HUXYCJJRQJZLHY-UHFFFAOYSA-N 2 2 264.373 0.953 20 0 CCADLP CC(C)(C(=O)NC[C@@H]1CCC[N@@H+]1CCCO)c1c[nH]c[nH+]1 ZINC000622073375 367005910 /nfs/dbraw/zinc/00/59/10/367005910.db2.gz ZHNKIVIMJSDKIT-LBPRGKRZSA-N 2 2 294.399 0.650 20 0 CCADLP CC(C)(C(=O)NC[C@@H]1CCC[N@H+]1CCCO)c1c[nH]c[nH+]1 ZINC000622073375 367005917 /nfs/dbraw/zinc/00/59/17/367005917.db2.gz ZHNKIVIMJSDKIT-LBPRGKRZSA-N 2 2 294.399 0.650 20 0 CCADLP CC(C)(C(=O)NC[C@@H]1CCC[N@@H+]1CCCO)c1c[nH+]c[nH]1 ZINC000622073375 367005923 /nfs/dbraw/zinc/00/59/23/367005923.db2.gz ZHNKIVIMJSDKIT-LBPRGKRZSA-N 2 2 294.399 0.650 20 0 CCADLP CC(C)(C(=O)NC[C@@H]1CCC[N@H+]1CCCO)c1c[nH+]c[nH]1 ZINC000622073375 367005928 /nfs/dbraw/zinc/00/59/28/367005928.db2.gz ZHNKIVIMJSDKIT-LBPRGKRZSA-N 2 2 294.399 0.650 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000622392684 367145873 /nfs/dbraw/zinc/14/58/73/367145873.db2.gz NAHSBGALEJDMSL-CQSZACIVSA-N 2 2 292.383 0.372 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CCCC[N@H+]1CCO ZINC000622630180 367230143 /nfs/dbraw/zinc/23/01/43/367230143.db2.gz LEBWZJZRACNRKJ-CYBMUJFWSA-N 2 2 280.372 0.236 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@H]1CCCC[N@@H+]1CCO ZINC000622630180 367230148 /nfs/dbraw/zinc/23/01/48/367230148.db2.gz LEBWZJZRACNRKJ-CYBMUJFWSA-N 2 2 280.372 0.236 20 0 CCADLP C[C@@]1(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CCC[NH2+]C1 ZINC000623177180 367466500 /nfs/dbraw/zinc/46/65/00/367466500.db2.gz KSNDWLGVCUXVLC-SWLSCSKDSA-N 2 2 276.384 0.951 20 0 CCADLP Cn1cc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)nn1 ZINC000623088835 367447856 /nfs/dbraw/zinc/44/78/56/367447856.db2.gz HATVBWCLZHUXPF-UHFFFAOYSA-N 2 2 273.331 0.882 20 0 CCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H]1Cc3c[nH+]cn3C1)CC2 ZINC000623259092 367496971 /nfs/dbraw/zinc/49/69/71/367496971.db2.gz QTDKOXOTLXDHKB-RYUDHWBXSA-N 2 2 285.351 0.692 20 0 CCADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623178634 367466110 /nfs/dbraw/zinc/46/61/10/367466110.db2.gz ZCBVNIXIAYJHNZ-TUAOUCFPSA-N 2 2 262.357 0.654 20 0 CCADLP CC[N@H+](CC(=O)N[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000623308282 367528979 /nfs/dbraw/zinc/52/89/79/367528979.db2.gz YMZRHFZNJYPDLH-NSHDSACASA-N 2 2 262.357 0.798 20 0 CCADLP CC[N@@H+](CC(=O)N[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC000623308282 367528982 /nfs/dbraw/zinc/52/89/82/367528982.db2.gz YMZRHFZNJYPDLH-NSHDSACASA-N 2 2 262.357 0.798 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000623368628 367547941 /nfs/dbraw/zinc/54/79/41/367547941.db2.gz SAXAAPXTNABWLS-CQSZACIVSA-N 2 2 298.431 0.489 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000623368628 367547945 /nfs/dbraw/zinc/54/79/45/367547945.db2.gz SAXAAPXTNABWLS-CQSZACIVSA-N 2 2 298.431 0.489 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N[C@H]1Cc2c[nH+]cn2C1 ZINC000623266059 367504431 /nfs/dbraw/zinc/50/44/31/367504431.db2.gz QTPHEEFJCFMJOU-NSHDSACASA-N 2 2 259.313 0.601 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000623300685 367523443 /nfs/dbraw/zinc/52/34/43/367523443.db2.gz XVYIMBRWDKSEIY-NWDGAFQWSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000623300685 367523448 /nfs/dbraw/zinc/52/34/48/367523448.db2.gz XVYIMBRWDKSEIY-NWDGAFQWSA-N 2 2 262.357 0.656 20 0 CCADLP COCCNC(=O)C1([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623548407 367590977 /nfs/dbraw/zinc/59/09/77/367590977.db2.gz UGDFBPRLAQWNOL-GFCCVEGCSA-N 2 2 283.416 0.744 20 0 CCADLP COCCNC(=O)C1([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623548407 367590979 /nfs/dbraw/zinc/59/09/79/367590979.db2.gz UGDFBPRLAQWNOL-GFCCVEGCSA-N 2 2 283.416 0.744 20 0 CCADLP CN1CCOC[C@@H]1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000623713521 367628082 /nfs/dbraw/zinc/62/80/82/367628082.db2.gz ARFZERKOIYUWFH-LBPRGKRZSA-N 2 2 250.346 0.250 20 0 CCADLP Cc1cccn2c(C[NH2+][C@H]3C[C@H](C(N)=O)C3)c[nH+]c12 ZINC000623662610 367615949 /nfs/dbraw/zinc/61/59/49/367615949.db2.gz FWAZTBVIZJTZSB-XYPYZODXSA-N 2 2 258.325 0.996 20 0 CCADLP O[C@H]1CC[N@H+](CC[NH2+]Cc2c[nH]nc2-c2cccnc2)C1 ZINC000623836979 367672695 /nfs/dbraw/zinc/67/26/95/367672695.db2.gz SEFPSPWMMRVSGG-AWEZNQCLSA-N 2 2 287.367 0.628 20 0 CCADLP O[C@H]1CC[N@@H+](CC[NH2+]Cc2c[nH]nc2-c2cccnc2)C1 ZINC000623836979 367672704 /nfs/dbraw/zinc/67/27/04/367672704.db2.gz SEFPSPWMMRVSGG-AWEZNQCLSA-N 2 2 287.367 0.628 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCN(C3CCC3)C2=O)n1C ZINC000623843795 367678351 /nfs/dbraw/zinc/67/83/51/367678351.db2.gz XLEVXEUTKHMKQT-CYBMUJFWSA-N 2 2 262.357 0.972 20 0 CCADLP CCC[NH+]1CCC(N(C)c2nc(N)nc(N)[nH+]2)CC1 ZINC000623911610 367694251 /nfs/dbraw/zinc/69/42/51/367694251.db2.gz HICZEFMMBLTYFW-UHFFFAOYSA-N 2 2 265.365 0.007 20 0 CCADLP CCn1ccnc1[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624086412 367749155 /nfs/dbraw/zinc/74/91/55/367749155.db2.gz DZXGZGOVKZATGA-STQMWFEESA-N 2 2 293.415 0.893 20 0 CCADLP CCn1ccnc1[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624086412 367749158 /nfs/dbraw/zinc/74/91/58/367749158.db2.gz DZXGZGOVKZATGA-STQMWFEESA-N 2 2 293.415 0.893 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000624194667 367785942 /nfs/dbraw/zinc/78/59/42/367785942.db2.gz MXLIXWQPSJKQHA-KBPBESRZSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000624194667 367785945 /nfs/dbraw/zinc/78/59/45/367785945.db2.gz MXLIXWQPSJKQHA-KBPBESRZSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH+]1CCC[C@@H](CCNC(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000624194667 367785947 /nfs/dbraw/zinc/78/59/47/367785947.db2.gz MXLIXWQPSJKQHA-KBPBESRZSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH+]1CCC[C@@H](CCNC(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000624194667 367785951 /nfs/dbraw/zinc/78/59/51/367785951.db2.gz MXLIXWQPSJKQHA-KBPBESRZSA-N 2 2 298.431 0.348 20 0 CCADLP O[C@H](C[NH2+]Cc1cn[nH]c1)C[N@@H+]1CCc2ccccc2C1 ZINC000624213301 367791217 /nfs/dbraw/zinc/79/12/17/367791217.db2.gz VLVKYJUNGWWJTI-MRXNPFEDSA-N 2 2 286.379 0.919 20 0 CCADLP O[C@H](C[NH2+]Cc1cn[nH]c1)C[N@H+]1CCc2ccccc2C1 ZINC000624213301 367791221 /nfs/dbraw/zinc/79/12/21/367791221.db2.gz VLVKYJUNGWWJTI-MRXNPFEDSA-N 2 2 286.379 0.919 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000624380601 367861987 /nfs/dbraw/zinc/86/19/87/367861987.db2.gz LXYSBCKWGXZPPQ-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000624380601 367861994 /nfs/dbraw/zinc/86/19/94/367861994.db2.gz LXYSBCKWGXZPPQ-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP CCC[NH+]1CC[C@@H](NC(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000624380601 367861997 /nfs/dbraw/zinc/86/19/97/367861997.db2.gz LXYSBCKWGXZPPQ-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP CCC[NH+]1CC[C@@H](NC(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000624380601 367862003 /nfs/dbraw/zinc/86/20/03/367862003.db2.gz LXYSBCKWGXZPPQ-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP COC1(C[C@@H](C)[NH2+]CC[N@@H+]2CC[C@H](O)C2)CCC1 ZINC000624337391 367838466 /nfs/dbraw/zinc/83/84/66/367838466.db2.gz JKQQDBQIDQUIBO-OLZOCXBDSA-N 2 2 256.390 0.990 20 0 CCADLP COC1(C[C@@H](C)[NH2+]CC[N@H+]2CC[C@H](O)C2)CCC1 ZINC000624337391 367838472 /nfs/dbraw/zinc/83/84/72/367838472.db2.gz JKQQDBQIDQUIBO-OLZOCXBDSA-N 2 2 256.390 0.990 20 0 CCADLP CC(C)[NH2+]C1CC[NH+](CCc2cn(C)nn2)CC1 ZINC000625246158 368116305 /nfs/dbraw/zinc/11/63/05/368116305.db2.gz TVGGFHBJHZZWIE-UHFFFAOYSA-N 2 2 251.378 0.820 20 0 CCADLP CC(C)[C@H](O)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625544004 368237767 /nfs/dbraw/zinc/23/77/67/368237767.db2.gz JSNRWUGSEYICAQ-CQSZACIVSA-N 2 2 256.390 0.800 20 0 CCADLP CO[C@H](C[NH+]1CCC([NH+]2CCOCC2)CC1)[C@H]1CCOC1 ZINC000625543976 368238262 /nfs/dbraw/zinc/23/82/62/368238262.db2.gz IWQOBGQIGLDPFQ-GOEBONIOSA-N 2 2 298.427 0.835 20 0 CCADLP COC1CC(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000625559408 368246837 /nfs/dbraw/zinc/24/68/37/368246837.db2.gz BDCWJEJVUOAZSR-UHFFFAOYSA-N 2 2 297.443 0.896 20 0 CCADLP COC1CC(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000625559408 368246842 /nfs/dbraw/zinc/24/68/42/368246842.db2.gz BDCWJEJVUOAZSR-UHFFFAOYSA-N 2 2 297.443 0.896 20 0 CCADLP COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000566497426 291418383 /nfs/dbraw/zinc/41/83/83/291418383.db2.gz WXPRLEOCSWBHJD-KBPBESRZSA-N 2 2 283.372 0.639 20 0 CCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335497333 212176968 /nfs/dbraw/zinc/17/69/68/212176968.db2.gz PSGZYGWQVQUGOI-TZMCWYRMSA-N 2 2 276.384 0.998 20 0 CCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335497333 212176970 /nfs/dbraw/zinc/17/69/70/212176970.db2.gz PSGZYGWQVQUGOI-TZMCWYRMSA-N 2 2 276.384 0.998 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CO)C[C@H]1C ZINC000626121560 368448952 /nfs/dbraw/zinc/44/89/52/368448952.db2.gz MQNBTFGMJPMCMY-MCIONIFRSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CO)C[C@H]1C ZINC000626121560 368448954 /nfs/dbraw/zinc/44/89/54/368448954.db2.gz MQNBTFGMJPMCMY-MCIONIFRSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](CO)C[C@H]1C ZINC000626121560 368448960 /nfs/dbraw/zinc/44/89/60/368448960.db2.gz MQNBTFGMJPMCMY-MCIONIFRSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](CO)C[C@H]1C ZINC000626121560 368448964 /nfs/dbraw/zinc/44/89/64/368448964.db2.gz MQNBTFGMJPMCMY-MCIONIFRSA-N 2 2 274.405 0.018 20 0 CCADLP CCC1([NH+]2CCOCC2)CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000626088837 368437692 /nfs/dbraw/zinc/43/76/92/368437692.db2.gz PVOXXVFEHIEULU-CQSZACIVSA-N 2 2 295.427 0.842 20 0 CCADLP CC[N@@H+]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC000626260166 368499465 /nfs/dbraw/zinc/49/94/65/368499465.db2.gz AMMIKAZRQWCOMW-GFCCVEGCSA-N 2 2 250.346 0.744 20 0 CCADLP CC[N@H+]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC000626260166 368499466 /nfs/dbraw/zinc/49/94/66/368499466.db2.gz AMMIKAZRQWCOMW-GFCCVEGCSA-N 2 2 250.346 0.744 20 0 CCADLP C[NH2+]CCC[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000574206419 335000935 /nfs/dbraw/zinc/00/09/35/335000935.db2.gz VHVVBIJSEYSZIF-GFCCVEGCSA-N 2 2 275.418 0.096 20 0 CCADLP C[NH2+]CCC[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000574206419 335000936 /nfs/dbraw/zinc/00/09/36/335000936.db2.gz VHVVBIJSEYSZIF-GFCCVEGCSA-N 2 2 275.418 0.096 20 0 CCADLP Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c(C)[nH+]1 ZINC000626891248 368669317 /nfs/dbraw/zinc/66/93/17/368669317.db2.gz YSXMGLNTYCMXOZ-JOYOIKCWSA-N 2 2 290.367 0.894 20 0 CCADLP Cc1cc(C)c(CNC(=O)NCCOCCC[NH3+])c[nH+]1 ZINC000627054915 368760234 /nfs/dbraw/zinc/76/02/34/368760234.db2.gz FYGNXOVCPDZTNA-UHFFFAOYSA-N 2 2 280.372 0.863 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N(C)CCOCC[NH3+] ZINC000627042759 368752355 /nfs/dbraw/zinc/75/23/55/368752355.db2.gz HZLNOMKOHNCIHF-UHFFFAOYSA-N 2 2 282.344 0.207 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000627182615 368852184 /nfs/dbraw/zinc/85/21/84/368852184.db2.gz BDRXQUBCGKYPCB-YNEHKIRRSA-N 2 2 284.404 0.228 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000627182615 368852190 /nfs/dbraw/zinc/85/21/90/368852190.db2.gz BDRXQUBCGKYPCB-YNEHKIRRSA-N 2 2 284.404 0.228 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@H]2CCCC23CC3)[C@@H](C[NH3+])C1 ZINC000627253734 368920516 /nfs/dbraw/zinc/92/05/16/368920516.db2.gz GMSWJIIUWJNDOA-OLZOCXBDSA-N 2 2 280.416 0.851 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@H]2CCCC23CC3)[C@@H](C[NH3+])C1 ZINC000627253734 368920518 /nfs/dbraw/zinc/92/05/18/368920518.db2.gz GMSWJIIUWJNDOA-OLZOCXBDSA-N 2 2 280.416 0.851 20 0 CCADLP CN(C)[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)c1c[nH+]cn1C ZINC000627655290 369068299 /nfs/dbraw/zinc/06/82/99/369068299.db2.gz KRFRNUCCGMKFSW-UVLXDEKHSA-N 2 2 291.399 0.041 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC000628007675 369160725 /nfs/dbraw/zinc/16/07/25/369160725.db2.gz JLPXXMAHXXLGRT-UHFFFAOYSA-N 2 2 294.399 0.761 20 0 CCADLP CCOC1CC([N@H+](C)C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000574337832 335011886 /nfs/dbraw/zinc/01/18/86/335011886.db2.gz YAQJQJGMILLPMT-MOKVOYLWSA-N 2 2 274.405 0.425 20 0 CCADLP CCOC1CC([N@@H+](C)C[C@@H](O)C[NH+](C)CCOC)C1 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Cc1[nH]c(CN2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)[nH+]c1C ZINC000628299057 369235889 /nfs/dbraw/zinc/23/58/89/369235889.db2.gz ARZMKMKWVVELHJ-PHIMTYICSA-N 2 2 266.389 0.913 20 0 CCADLP Cc1[nH]c(CN2CC[N@H+](CCO)C(C)(C)C2)[nH+]c1C ZINC000628244096 369223953 /nfs/dbraw/zinc/22/39/53/369223953.db2.gz SGQWJGBTBAKCGE-UHFFFAOYSA-N 2 2 266.389 0.915 20 0 CCADLP Cc1[nH]c(CN2CC[N@@H+](CCO)C(C)(C)C2)[nH+]c1C ZINC000628244096 369223959 /nfs/dbraw/zinc/22/39/59/369223959.db2.gz SGQWJGBTBAKCGE-UHFFFAOYSA-N 2 2 266.389 0.915 20 0 CCADLP CN(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1C)c1c[nH+]cn1C ZINC000628648081 369358461 /nfs/dbraw/zinc/35/84/61/369358461.db2.gz XTANCQLCEZFBQN-DGCLKSJQSA-N 2 2 279.388 0.233 20 0 CCADLP CN(C)[C@@H](C(=O)NC[C@H]1CCC[N@H+]1C)c1c[nH+]cn1C ZINC000628648081 369358464 /nfs/dbraw/zinc/35/84/64/369358464.db2.gz XTANCQLCEZFBQN-DGCLKSJQSA-N 2 2 279.388 0.233 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000276145578 193225510 /nfs/dbraw/zinc/22/55/10/193225510.db2.gz BEBIHZDVKBUZMP-JTQLQIEISA-N 2 2 292.305 0.855 20 0 CCADLP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000629452479 369672992 /nfs/dbraw/zinc/67/29/92/369672992.db2.gz OTBAFAQZDLPZTN-QWRGUYRKSA-N 2 2 262.357 0.725 20 0 CCADLP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000629452479 369672994 /nfs/dbraw/zinc/67/29/94/369672994.db2.gz OTBAFAQZDLPZTN-QWRGUYRKSA-N 2 2 262.357 0.725 20 0 CCADLP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000629452479 369673000 /nfs/dbraw/zinc/67/30/00/369673000.db2.gz OTBAFAQZDLPZTN-QWRGUYRKSA-N 2 2 262.357 0.725 20 0 CCADLP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000629452479 369673006 /nfs/dbraw/zinc/67/30/06/369673006.db2.gz OTBAFAQZDLPZTN-QWRGUYRKSA-N 2 2 262.357 0.725 20 0 CCADLP C[C@@H](c1nc(C2CC2)no1)[N@H+](C)CCOCC[NH3+] ZINC000629579719 369723065 /nfs/dbraw/zinc/72/30/65/369723065.db2.gz PYKSBCVYBQMMHP-VIFPVBQESA-N 2 2 254.334 0.915 20 0 CCADLP C[C@@H](c1nc(C2CC2)no1)[N@@H+](C)CCOCC[NH3+] ZINC000629579719 369723068 /nfs/dbraw/zinc/72/30/68/369723068.db2.gz PYKSBCVYBQMMHP-VIFPVBQESA-N 2 2 254.334 0.915 20 0 CCADLP Cc1cc([C@H](C)[NH2+]CC2([NH3+])CCOCC2)nn1C ZINC000629519750 369688836 /nfs/dbraw/zinc/68/88/36/369688836.db2.gz HEXSCHNTNWQWCL-NSHDSACASA-N 2 2 252.362 0.887 20 0 CCADLP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1cc2n(n1)CCC2 ZINC000629520940 369688939 /nfs/dbraw/zinc/68/89/39/369688939.db2.gz NGFNNGFKPHNRQU-LLVKDONJSA-N 2 2 264.373 0.988 20 0 CCADLP CNC(=O)c1cccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC000629554580 369703879 /nfs/dbraw/zinc/70/38/79/369703879.db2.gz LPKQRQIXADPKFC-HNNXBMFYSA-N 2 2 291.395 0.593 20 0 CCADLP Cc1ccc2ncc(C[NH2+]Cc3nc(C[NH3+])cc(=O)[nH]3)n2c1 ZINC000629652172 369747996 /nfs/dbraw/zinc/74/79/96/369747996.db2.gz BZUBQWFGSGEFHZ-UHFFFAOYSA-N 2 2 298.350 0.887 20 0 CCADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]Cc2ccc3c(c2)C[NH2+]CC3)n1 ZINC000629654448 369749902 /nfs/dbraw/zinc/74/99/02/369749902.db2.gz XFRLBGQLFMYMTP-UHFFFAOYSA-N 3 2 299.378 0.576 20 0 CCADLP COCc1noc([C@@H](C)[N@H+](C)CCOCC[NH3+])n1 ZINC000629580473 369724613 /nfs/dbraw/zinc/72/46/13/369724613.db2.gz DANAXYXESYOEQU-SECBINFHSA-N 2 2 258.322 0.184 20 0 CCADLP COCc1noc([C@@H](C)[N@@H+](C)CCOCC[NH3+])n1 ZINC000629580473 369724617 /nfs/dbraw/zinc/72/46/17/369724617.db2.gz DANAXYXESYOEQU-SECBINFHSA-N 2 2 258.322 0.184 20 0 CCADLP Cn1c(C[N@H+](C)CCOCC[NH3+])nnc1-c1ccccc1 ZINC000629581173 369724694 /nfs/dbraw/zinc/72/46/94/369724694.db2.gz QGQXELZLZSXTFF-UHFFFAOYSA-N 2 2 289.383 0.889 20 0 CCADLP Cn1c(C[N@@H+](C)CCOCC[NH3+])nnc1-c1ccccc1 ZINC000629581173 369724698 /nfs/dbraw/zinc/72/46/98/369724698.db2.gz QGQXELZLZSXTFF-UHFFFAOYSA-N 2 2 289.383 0.889 20 0 CCADLP C[C@@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629583501 369726536 /nfs/dbraw/zinc/72/65/36/369726536.db2.gz BBUZOWPYWRKSKW-LQKXBSAESA-N 2 2 295.427 0.602 20 0 CCADLP C[C@@H](C(=O)NC[C@H]1CCCO1)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629583501 369726539 /nfs/dbraw/zinc/72/65/39/369726539.db2.gz BBUZOWPYWRKSKW-LQKXBSAESA-N 2 2 295.427 0.602 20 0 CCADLP CCCNC(=O)[C@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592207 369732727 /nfs/dbraw/zinc/73/27/27/369732727.db2.gz DCMUHIJQCQXDBJ-FPMFFAJLSA-N 2 2 253.390 0.833 20 0 CCADLP CCCNC(=O)[C@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592207 369732733 /nfs/dbraw/zinc/73/27/33/369732733.db2.gz DCMUHIJQCQXDBJ-FPMFFAJLSA-N 2 2 253.390 0.833 20 0 CCADLP C[C@@H]1C[N@H+](CCN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCO1 ZINC000629594049 369732950 /nfs/dbraw/zinc/73/29/50/369732950.db2.gz KELCWJDTZBVZEY-KFWWJZLASA-N 2 2 267.417 0.639 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCO1 ZINC000629594049 369732951 /nfs/dbraw/zinc/73/29/51/369732951.db2.gz KELCWJDTZBVZEY-KFWWJZLASA-N 2 2 267.417 0.639 20 0 CCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[N@@H+]1CC[C@H](O)C1)C2 ZINC000629917287 369833529 /nfs/dbraw/zinc/83/35/29/369833529.db2.gz SRVQCGKFPSLGRR-NEPJUHHUSA-N 2 2 292.383 0.006 20 0 CCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[N@H+]1CC[C@H](O)C1)C2 ZINC000629917287 369833535 /nfs/dbraw/zinc/83/35/35/369833535.db2.gz SRVQCGKFPSLGRR-NEPJUHHUSA-N 2 2 292.383 0.006 20 0 CCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[N@@H+]1CC[C@H](O)C1)CC2 ZINC000629917287 369833540 /nfs/dbraw/zinc/83/35/40/369833540.db2.gz SRVQCGKFPSLGRR-NEPJUHHUSA-N 2 2 292.383 0.006 20 0 CCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[N@H+]1CC[C@H](O)C1)CC2 ZINC000629917287 369833545 /nfs/dbraw/zinc/83/35/45/369833545.db2.gz SRVQCGKFPSLGRR-NEPJUHHUSA-N 2 2 292.383 0.006 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC000629986973 369873374 /nfs/dbraw/zinc/87/33/74/369873374.db2.gz NMDXAXFEWPKUSM-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC000629986973 369873379 /nfs/dbraw/zinc/87/33/79/369873379.db2.gz NMDXAXFEWPKUSM-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP C[NH2+]C1(CNC(=O)CCc2c[nH+]cn2C)CCC1 ZINC000630001191 369884715 /nfs/dbraw/zinc/88/47/15/369884715.db2.gz CLRPBBYJTUBLKC-UHFFFAOYSA-N 2 2 250.346 0.611 20 0 CCADLP C[NH2+]C1(CNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CCC1 ZINC000630002849 369886069 /nfs/dbraw/zinc/88/60/69/369886069.db2.gz LFEGWRHGPLDUMI-JTQLQIEISA-N 2 2 262.357 0.773 20 0 CCADLP C[NH2+]C1(CNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CCC1 ZINC000630002849 369886070 /nfs/dbraw/zinc/88/60/70/369886070.db2.gz LFEGWRHGPLDUMI-JTQLQIEISA-N 2 2 262.357 0.773 20 0 CCADLP CCN(C(=O)[C@@H](C)[N@H+](C)C[C@H](O)C[NH3+])c1ccccc1 ZINC000420358418 284195948 /nfs/dbraw/zinc/19/59/48/284195948.db2.gz UHDUEDUIDWIDHW-TZMCWYRMSA-N 2 2 279.384 0.679 20 0 CCADLP CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C[NH3+])c1ccccc1 ZINC000420358418 284195950 /nfs/dbraw/zinc/19/59/50/284195950.db2.gz UHDUEDUIDWIDHW-TZMCWYRMSA-N 2 2 279.384 0.679 20 0 CCADLP c1c([C@@H]2COCC[NH2+]2)nnn1CC[NH+]1CCCC1 ZINC000630618037 370213152 /nfs/dbraw/zinc/21/31/52/370213152.db2.gz KIHBCIDPTBYJHN-LBPRGKRZSA-N 2 2 251.334 0.035 20 0 CCADLP Cc1nc(N2CC[NH+](CCc3ccccc3)CC2)nc(N)[nH+]1 ZINC000631045180 370366786 /nfs/dbraw/zinc/36/67/86/370366786.db2.gz PMNCOTCBHDQEJP-UHFFFAOYSA-N 2 2 298.394 0.957 20 0 CCADLP Cc1nc(NCC[N@@H+]2CCc3sccc3C2)nc(N)[nH+]1 ZINC000631070506 370374874 /nfs/dbraw/zinc/37/48/74/370374874.db2.gz AZOSCJSQLSQWJZ-UHFFFAOYSA-N 2 2 290.396 0.546 20 0 CCADLP Cc1nc(NCC[N@H+]2CCc3sccc3C2)nc(N)[nH+]1 ZINC000631070506 370374880 /nfs/dbraw/zinc/37/48/80/370374880.db2.gz AZOSCJSQLSQWJZ-UHFFFAOYSA-N 2 2 290.396 0.546 20 0 CCADLP Cc1nc(N2CCC(c3[nH]cc[nH+]3)CC2)nc(N)[nH+]1 ZINC000631086529 370380918 /nfs/dbraw/zinc/38/09/18/370380918.db2.gz VNGAVIGIMZOPIN-UHFFFAOYSA-N 2 2 259.317 0.700 20 0 CCADLP Cc1nc(N)nc(N2CCC(c3[nH]cc[nH+]3)CC2)[nH+]1 ZINC000631086529 370380923 /nfs/dbraw/zinc/38/09/23/370380923.db2.gz VNGAVIGIMZOPIN-UHFFFAOYSA-N 2 2 259.317 0.700 20 0 CCADLP CNS(=O)(=O)CCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000631229855 370429882 /nfs/dbraw/zinc/42/98/82/370429882.db2.gz QPPKAPBLIQBEBC-GHMZBOCLSA-N 2 2 275.418 0.141 20 0 CCADLP CNS(=O)(=O)CCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000631229855 370429886 /nfs/dbraw/zinc/42/98/86/370429886.db2.gz QPPKAPBLIQBEBC-GHMZBOCLSA-N 2 2 275.418 0.141 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000631138938 370396759 /nfs/dbraw/zinc/39/67/59/370396759.db2.gz BQQQNXLLKLLQKM-UHFFFAOYSA-N 2 2 273.340 0.822 20 0 CCADLP C[NH+](C)C[C@](C)(O)CNc1[nH+]c(C2CC2)nc2[nH]ccc21 ZINC000631179176 370411914 /nfs/dbraw/zinc/41/19/14/370411914.db2.gz PAFFWYPUSUZELT-OAHLLOKOSA-N 2 2 289.383 0.982 20 0 CCADLP Cc1nc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)nc(N)[nH+]1 ZINC000631386309 370509420 /nfs/dbraw/zinc/50/94/20/370509420.db2.gz VFCVPPQDFMXHRB-LBPRGKRZSA-N 2 2 276.388 0.548 20 0 CCADLP Cc1nc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)nc(N)[nH+]1 ZINC000631386309 370509422 /nfs/dbraw/zinc/50/94/22/370509422.db2.gz VFCVPPQDFMXHRB-LBPRGKRZSA-N 2 2 276.388 0.548 20 0 CCADLP Cc1nc(N)nc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)[nH+]1 ZINC000631386309 370509426 /nfs/dbraw/zinc/50/94/26/370509426.db2.gz VFCVPPQDFMXHRB-LBPRGKRZSA-N 2 2 276.388 0.548 20 0 CCADLP Cc1nc(N)nc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)[nH+]1 ZINC000631386309 370509430 /nfs/dbraw/zinc/50/94/30/370509430.db2.gz VFCVPPQDFMXHRB-LBPRGKRZSA-N 2 2 276.388 0.548 20 0 CCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)C2([NH+]3CCOCC3)CC2)C1 ZINC000631558504 370590855 /nfs/dbraw/zinc/59/08/55/370590855.db2.gz YRIQLMPYTUDVBD-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000331919403 204293879 /nfs/dbraw/zinc/29/38/79/204293879.db2.gz PJMRMMLHUVYJKD-PWSUYJOCSA-N 2 2 282.388 0.234 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000331919403 204293882 /nfs/dbraw/zinc/29/38/82/204293882.db2.gz PJMRMMLHUVYJKD-PWSUYJOCSA-N 2 2 282.388 0.234 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000331919403 204293885 /nfs/dbraw/zinc/29/38/85/204293885.db2.gz PJMRMMLHUVYJKD-PWSUYJOCSA-N 2 2 282.388 0.234 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000331919403 204293887 /nfs/dbraw/zinc/29/38/87/204293887.db2.gz PJMRMMLHUVYJKD-PWSUYJOCSA-N 2 2 282.388 0.234 20 0 CCADLP COCC[N@H+](C)CCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632983003 371346948 /nfs/dbraw/zinc/34/69/48/371346948.db2.gz MTMYYFYAOVTTAM-UHFFFAOYSA-N 2 2 269.349 0.129 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000632983003 371346953 /nfs/dbraw/zinc/34/69/53/371346953.db2.gz MTMYYFYAOVTTAM-UHFFFAOYSA-N 2 2 269.349 0.129 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCC[NH+]3CCOCC3)C[C@@H]21 ZINC000331967678 204343577 /nfs/dbraw/zinc/34/35/77/204343577.db2.gz QMAHOFCWBSWWQY-MELADBBJSA-N 2 2 296.415 0.087 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633105102 371400002 /nfs/dbraw/zinc/40/00/02/371400002.db2.gz FLDDLHUBZOGWLZ-GHMZBOCLSA-N 2 2 293.371 0.096 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633105104 371400338 /nfs/dbraw/zinc/40/03/38/371400338.db2.gz FLDDLHUBZOGWLZ-QWRGUYRKSA-N 2 2 293.371 0.096 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633076295 371384419 /nfs/dbraw/zinc/38/44/19/371384419.db2.gz GVDRAFRQJCTBER-UHFFFAOYSA-N 2 2 283.376 0.519 20 0 CCADLP COCC[N@@H+](C)CCCNC(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000633076295 371384420 /nfs/dbraw/zinc/38/44/20/371384420.db2.gz GVDRAFRQJCTBER-UHFFFAOYSA-N 2 2 283.376 0.519 20 0 CCADLP Cc1[nH+]c2ccccc2n1Cc1cn(CC[NH3+])nn1 ZINC000656433342 412791925 /nfs/dbraw/zinc/79/19/25/412791925.db2.gz MYFTUHHESDDATH-UHFFFAOYSA-N 2 2 256.313 0.943 20 0 CCADLP C[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)c1[nH+]ccn1C ZINC000633649450 371657196 /nfs/dbraw/zinc/65/71/96/371657196.db2.gz OQRITATWHQSMGQ-NSHDSACASA-N 2 2 290.371 0.669 20 0 CCADLP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C[C@H](C)O)c2cc1C ZINC000567873851 291528352 /nfs/dbraw/zinc/52/83/52/291528352.db2.gz BQNSZPCEAIPQTH-STQMWFEESA-N 2 2 277.368 0.984 20 0 CCADLP CS[C@@H]1CN(CC[N@@H+]2CCO[C@@H](C)C2)C[C@H]1[NH+](C)C ZINC000337314706 214000443 /nfs/dbraw/zinc/00/04/43/214000443.db2.gz ILDDQDMTSQBTJF-BFHYXJOUSA-N 2 2 287.473 0.685 20 0 CCADLP CS[C@@H]1CN(CC[N@H+]2CCO[C@@H](C)C2)C[C@H]1[NH+](C)C ZINC000337314706 214000446 /nfs/dbraw/zinc/00/04/46/214000446.db2.gz ILDDQDMTSQBTJF-BFHYXJOUSA-N 2 2 287.473 0.685 20 0 CCADLP O=c1c2c([nH]n1CC[NH+]1CCCCC1)CC[NH2+]C2 ZINC000634592841 372089082 /nfs/dbraw/zinc/08/90/82/372089082.db2.gz WKTCKPBZQAXANS-NSHDSACASA-N 2 2 250.346 0.280 20 0 CCADLP OC[C@@H]1CCC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nn1 ZINC000656440434 412794944 /nfs/dbraw/zinc/79/49/44/412794944.db2.gz HDLXWCMHFXWISN-ZDUSSCGKSA-N 2 2 259.313 0.619 20 0 CCADLP OC[C@@H]1CCC[N@H+]1Cc1cn(-c2cc[nH+]cc2)nn1 ZINC000656440434 412794947 /nfs/dbraw/zinc/79/49/47/412794947.db2.gz HDLXWCMHFXWISN-ZDUSSCGKSA-N 2 2 259.313 0.619 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CC2(O)CCOCC2)C[N@@H+]1C1CC1 ZINC000634707458 372152682 /nfs/dbraw/zinc/15/26/82/372152682.db2.gz GRQMLPOTYWOYPI-NFAWXSAZSA-N 2 2 298.427 0.494 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CC2(O)CCOCC2)C[N@H+]1C1CC1 ZINC000634707458 372152685 /nfs/dbraw/zinc/15/26/85/372152685.db2.gz GRQMLPOTYWOYPI-NFAWXSAZSA-N 2 2 298.427 0.494 20 0 CCADLP CCc1cc(N2CC[N@H+](C)C[C@H]2CO)nc(C)[nH+]1 ZINC000634802072 372243885 /nfs/dbraw/zinc/24/38/85/372243885.db2.gz VUCLJSNSMAXECX-LBPRGKRZSA-N 2 2 250.346 0.460 20 0 CCADLP CCc1cc(N2CC[N@@H+](C)C[C@H]2CO)nc(C)[nH+]1 ZINC000634802072 372243892 /nfs/dbraw/zinc/24/38/92/372243892.db2.gz VUCLJSNSMAXECX-LBPRGKRZSA-N 2 2 250.346 0.460 20 0 CCADLP Cn1ncc2c1nc[nH+]c2N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000634809087 372251109 /nfs/dbraw/zinc/25/11/09/372251109.db2.gz KGNMBABGEQVPDJ-CQSZACIVSA-N 2 2 272.356 0.943 20 0 CCADLP C[C@@H]([NH3+])CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000634810305 372253664 /nfs/dbraw/zinc/25/36/64/372253664.db2.gz SBSOGLNSNPRGGZ-GHMZBOCLSA-N 2 2 265.361 0.444 20 0 CCADLP O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2CC23CC(C2)C[NH2+]3)CN1 ZINC000634992919 372326836 /nfs/dbraw/zinc/32/68/36/372326836.db2.gz FWWKRENKVOCCKH-ICRTXTNUSA-N 2 2 263.385 0.729 20 0 CCADLP O=C1C[C@@H]([C@@H]2CCCC[N@H+]2CC23CC(C2)C[NH2+]3)CN1 ZINC000634992919 372326839 /nfs/dbraw/zinc/32/68/39/372326839.db2.gz FWWKRENKVOCCKH-ICRTXTNUSA-N 2 2 263.385 0.729 20 0 CCADLP CC(C)OCCOC[C@@H](O)C[N@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634992485 372327841 /nfs/dbraw/zinc/32/78/41/372327841.db2.gz QNQCMZWQKACCEV-SLTAFYQDSA-N 2 2 286.416 0.473 20 0 CCADLP CC(C)OCCOC[C@@H](O)C[N@@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634992485 372327846 /nfs/dbraw/zinc/32/78/46/372327846.db2.gz QNQCMZWQKACCEV-SLTAFYQDSA-N 2 2 286.416 0.473 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635499878 372562326 /nfs/dbraw/zinc/56/23/26/372562326.db2.gz AHDXCGDJMRBGMI-YNEHKIRRSA-N 2 2 292.383 0.740 20 0 CCADLP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635499878 372562328 /nfs/dbraw/zinc/56/23/28/372562328.db2.gz AHDXCGDJMRBGMI-YNEHKIRRSA-N 2 2 292.383 0.740 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635499878 372562331 /nfs/dbraw/zinc/56/23/31/372562331.db2.gz AHDXCGDJMRBGMI-YNEHKIRRSA-N 2 2 292.383 0.740 20 0 CCADLP COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635499878 372562333 /nfs/dbraw/zinc/56/23/33/372562333.db2.gz AHDXCGDJMRBGMI-YNEHKIRRSA-N 2 2 292.383 0.740 20 0 CCADLP C[C@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000635505889 372570383 /nfs/dbraw/zinc/57/03/83/372570383.db2.gz HRLROBAAXIZEFH-STQMWFEESA-N 2 2 283.416 0.554 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@H](C[NH+](C)C)C2)[nH+]1 ZINC000635566710 372639953 /nfs/dbraw/zinc/63/99/53/372639953.db2.gz XSIXSAIYEWWDEH-LLVKDONJSA-N 2 2 264.373 0.925 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@@H](C[NH+](C)C)C2)[nH+]1 ZINC000635566711 372640603 /nfs/dbraw/zinc/64/06/03/372640603.db2.gz XSIXSAIYEWWDEH-NSHDSACASA-N 2 2 264.373 0.925 20 0 CCADLP CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635577005 372650353 /nfs/dbraw/zinc/65/03/53/372650353.db2.gz YOBBLEHRXAEVER-IJLUTSLNSA-N 2 2 278.356 0.350 20 0 CCADLP CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC000635577005 372650363 /nfs/dbraw/zinc/65/03/63/372650363.db2.gz YOBBLEHRXAEVER-IJLUTSLNSA-N 2 2 278.356 0.350 20 0 CCADLP CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635577005 372650370 /nfs/dbraw/zinc/65/03/70/372650370.db2.gz YOBBLEHRXAEVER-IJLUTSLNSA-N 2 2 278.356 0.350 20 0 CCADLP CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000635577005 372650382 /nfs/dbraw/zinc/65/03/82/372650382.db2.gz YOBBLEHRXAEVER-IJLUTSLNSA-N 2 2 278.356 0.350 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635637876 372709589 /nfs/dbraw/zinc/70/95/89/372709589.db2.gz NUEITZXKIJWGTA-UHFFFAOYSA-N 2 2 280.372 0.693 20 0 CCADLP c1cn(Cc2cn(CCC[NH+]3CCSCC3)nn2)c[nH+]1 ZINC000656450501 412802071 /nfs/dbraw/zinc/80/20/71/412802071.db2.gz WONHKIFKKYKYHM-UHFFFAOYSA-N 2 2 292.412 0.962 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000333277052 205177433 /nfs/dbraw/zinc/17/74/33/205177433.db2.gz LQZUWEZHELDHLJ-SYQHCUMBSA-N 3 2 255.406 0.861 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)[C@@H](C)[NH+](C)C ZINC000635869753 373027959 /nfs/dbraw/zinc/02/79/59/373027959.db2.gz OXVJTILVMLNCGG-VXGBXAGGSA-N 2 2 257.378 0.116 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ncon2)C1)[NH+](C)C ZINC000635915367 373099169 /nfs/dbraw/zinc/09/91/69/373099169.db2.gz VWOGOIORWCRXAL-NEPJUHHUSA-N 2 2 295.387 0.348 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ncon2)C1)[NH+](C)C ZINC000635915367 373099176 /nfs/dbraw/zinc/09/91/76/373099176.db2.gz VWOGOIORWCRXAL-NEPJUHHUSA-N 2 2 295.387 0.348 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)C(C)(C)C[NH+]2CCOCC2)c1 ZINC000636016727 373252353 /nfs/dbraw/zinc/25/23/53/373252353.db2.gz WORCUCOGZRVRBX-UHFFFAOYSA-N 2 2 294.399 0.437 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccc3c(n2)CCC3)CC1 ZINC000656493166 412813691 /nfs/dbraw/zinc/81/36/91/412813691.db2.gz GYISSKHKEYGNPL-UHFFFAOYSA-N 2 2 288.395 0.434 20 0 CCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000636657749 373695501 /nfs/dbraw/zinc/69/55/01/373695501.db2.gz IGTIIXUSYKMXFL-LLVKDONJSA-N 2 2 295.387 0.215 20 0 CCADLP Cc1cc(C)c(CNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)c[nH+]1 ZINC000637206715 374007730 /nfs/dbraw/zinc/00/77/30/374007730.db2.gz WCSOBSKHEDHSKQ-CQSZACIVSA-N 2 2 292.383 0.564 20 0 CCADLP Cc1cc(C)c(CNC(=O)NCC[N@H+]2CC[C@@H](O)C2)c[nH+]1 ZINC000637206715 374007734 /nfs/dbraw/zinc/00/77/34/374007734.db2.gz WCSOBSKHEDHSKQ-CQSZACIVSA-N 2 2 292.383 0.564 20 0 CCADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000637254769 374050169 /nfs/dbraw/zinc/05/01/69/374050169.db2.gz AOYLZFVIRNNFLH-SDDRHHMPSA-N 2 2 277.372 0.447 20 0 CCADLP CN(CC[N@H+](C)C1CC1)C(=O)NC[C@H]1COCC[NH+]1C ZINC000637444862 374170361 /nfs/dbraw/zinc/17/03/61/374170361.db2.gz WAZICNLAONDXON-ZDUSSCGKSA-N 2 2 284.404 0.053 20 0 CCADLP CN(CC[N@@H+](C)C1CC1)C(=O)NC[C@H]1COCC[NH+]1C ZINC000637444862 374170364 /nfs/dbraw/zinc/17/03/64/374170364.db2.gz WAZICNLAONDXON-ZDUSSCGKSA-N 2 2 284.404 0.053 20 0 CCADLP CN(CC[NH+](C)C1CC1)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637444862 374170368 /nfs/dbraw/zinc/17/03/68/374170368.db2.gz WAZICNLAONDXON-ZDUSSCGKSA-N 2 2 284.404 0.053 20 0 CCADLP CN(CC[NH+](C)C1CC1)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000637444862 374170371 /nfs/dbraw/zinc/17/03/71/374170371.db2.gz WAZICNLAONDXON-ZDUSSCGKSA-N 2 2 284.404 0.053 20 0 CCADLP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1CCC[NH2+]CC1 ZINC000637804022 374332682 /nfs/dbraw/zinc/33/26/82/374332682.db2.gz RTXMCUAEJBOAIY-HNNXBMFYSA-N 2 2 290.411 0.268 20 0 CCADLP [NH3+][C@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)C1 ZINC000637822090 374360040 /nfs/dbraw/zinc/36/00/40/374360040.db2.gz ZTUUOAWXVGSEKF-JTQLQIEISA-N 2 2 272.308 0.751 20 0 CCADLP C[NH2+]CCNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000637826223 374364417 /nfs/dbraw/zinc/36/44/17/374364417.db2.gz MOBVKHACHGOBKS-QMMMGPOBSA-N 2 2 264.251 0.712 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC[C@@H]1CCC[NH2+]1)CC2 ZINC000637827341 374366725 /nfs/dbraw/zinc/36/67/25/374366725.db2.gz PZNLLXKNYUTAAT-RYUDHWBXSA-N 2 2 262.357 0.622 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H](C[NH3+])C1CC1)CC2 ZINC000637855616 374413726 /nfs/dbraw/zinc/41/37/26/374413726.db2.gz WMAKIWSMILUMMW-VXGBXAGGSA-N 2 2 262.357 0.607 20 0 CCADLP C[C@@H](CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccco1 ZINC000637863849 374424889 /nfs/dbraw/zinc/42/48/89/374424889.db2.gz IGVMFZOIACBITJ-RYUDHWBXSA-N 2 2 265.357 0.875 20 0 CCADLP C[C@@H](CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccco1 ZINC000637863849 374424893 /nfs/dbraw/zinc/42/48/93/374424893.db2.gz IGVMFZOIACBITJ-RYUDHWBXSA-N 2 2 265.357 0.875 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCCn1cc[nH+]c1 ZINC000656544406 412822934 /nfs/dbraw/zinc/82/29/34/412822934.db2.gz ZQPXCNWFFVLVJP-UHFFFAOYSA-N 3 2 296.419 0.066 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCCn1cc[nH+]c1 ZINC000656544406 412822938 /nfs/dbraw/zinc/82/29/38/412822938.db2.gz ZQPXCNWFFVLVJP-UHFFFAOYSA-N 3 2 296.419 0.066 20 0 CCADLP Nc1nc(N)c(CN2CCC[C@H]2C[NH+]2CCCC2)c[nH+]1 ZINC000637979561 374524473 /nfs/dbraw/zinc/52/44/73/374524473.db2.gz TUQFZEIPAFTSFL-LBPRGKRZSA-N 2 2 276.388 0.362 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc(N)nc2)CC1 ZINC000638128570 374698277 /nfs/dbraw/zinc/69/82/77/374698277.db2.gz NJYKOOVWSRWLGW-UHFFFAOYSA-N 2 2 291.399 0.250 20 0 CCADLP C[C@@H]1C[C@H](N(C)Cc2c[nH+]c(N)nc2N)CC[N@@H+]1C ZINC000638117464 374684436 /nfs/dbraw/zinc/68/44/36/374684436.db2.gz REQDQUYCTCPPQU-MWLCHTKSSA-N 2 2 264.377 0.216 20 0 CCADLP C[C@@H]1C[C@H](N(C)Cc2c[nH+]c(N)nc2N)CC[N@H+]1C ZINC000638117464 374684444 /nfs/dbraw/zinc/68/44/44/374684444.db2.gz REQDQUYCTCPPQU-MWLCHTKSSA-N 2 2 264.377 0.216 20 0 CCADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc(N)nc2N)CC[N@@H+]1C ZINC000638117464 374684449 /nfs/dbraw/zinc/68/44/49/374684449.db2.gz REQDQUYCTCPPQU-MWLCHTKSSA-N 2 2 264.377 0.216 20 0 CCADLP C[C@@H]1C[C@H]([NH+](C)Cc2cnc(N)nc2N)CC[N@H+]1C ZINC000638117464 374684456 /nfs/dbraw/zinc/68/44/56/374684456.db2.gz REQDQUYCTCPPQU-MWLCHTKSSA-N 2 2 264.377 0.216 20 0 CCADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cnc(N)nc2N)CC[NH+]1C ZINC000638117464 374684459 /nfs/dbraw/zinc/68/44/59/374684459.db2.gz REQDQUYCTCPPQU-MWLCHTKSSA-N 2 2 264.377 0.216 20 0 CCADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cnc(N)nc2N)CC[NH+]1C ZINC000638117464 374684467 /nfs/dbraw/zinc/68/44/67/374684467.db2.gz REQDQUYCTCPPQU-MWLCHTKSSA-N 2 2 264.377 0.216 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000638117973 374684724 /nfs/dbraw/zinc/68/47/24/374684724.db2.gz UPKQFWKCYVDKCD-STQMWFEESA-N 3 2 282.432 0.269 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000638117973 374684727 /nfs/dbraw/zinc/68/47/27/374684727.db2.gz UPKQFWKCYVDKCD-STQMWFEESA-N 3 2 282.432 0.269 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)[nH+]1 ZINC000638156126 374728369 /nfs/dbraw/zinc/72/83/69/374728369.db2.gz HAQSSPBATHCYNG-NXEZZACHSA-N 2 2 250.346 0.710 20 0 CCADLP NS(=O)(=O)c1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000638285757 374892943 /nfs/dbraw/zinc/89/29/43/374892943.db2.gz KSEAWAFELHVXKX-UHFFFAOYSA-N 2 2 294.380 0.710 20 0 CCADLP COc1ccc(C)nc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000574545002 335028648 /nfs/dbraw/zinc/02/86/48/335028648.db2.gz YNAJUGQSDJYPEV-LLVKDONJSA-N 2 2 293.371 0.505 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[NH2+]C[C@@](C)(F)C1)CC2 ZINC000638253642 374849232 /nfs/dbraw/zinc/84/92/32/374849232.db2.gz PTXBBFFURBZODG-SWLSCSKDSA-N 2 2 294.374 0.914 20 0 CCADLP CC(C)CC[C@H]([NH3+])C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000638408108 375005397 /nfs/dbraw/zinc/00/53/97/375005397.db2.gz ZXERTAVJZAWEHZ-MCIONIFRSA-N 2 2 285.432 0.975 20 0 CCADLP CC(C)CC[C@H]([NH3+])C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000638408108 375005401 /nfs/dbraw/zinc/00/54/01/375005401.db2.gz ZXERTAVJZAWEHZ-MCIONIFRSA-N 2 2 285.432 0.975 20 0 CCADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cnc(N)nc2N)C1 ZINC000638409606 375006432 /nfs/dbraw/zinc/00/64/32/375006432.db2.gz MMGPPXDLRZGSBJ-SNVBAGLBSA-N 2 2 264.377 0.123 20 0 CCADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cnc(N)nc2N)C1 ZINC000638409606 375006438 /nfs/dbraw/zinc/00/64/38/375006438.db2.gz MMGPPXDLRZGSBJ-SNVBAGLBSA-N 2 2 264.377 0.123 20 0 CCADLP Cc1nnsc1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000638410814 375008949 /nfs/dbraw/zinc/00/89/49/375008949.db2.gz CUZBLEBKLVOLQV-UHFFFAOYSA-N 2 2 270.402 0.783 20 0 CCADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NCc1c[nH+]c(N)nc1N ZINC000638413392 375010769 /nfs/dbraw/zinc/01/07/69/375010769.db2.gz VABXHRGSQVIHBI-MNOVXSKESA-N 2 2 278.404 0.512 20 0 CCADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NCc1c[nH+]c(N)nc1N ZINC000638413392 375010777 /nfs/dbraw/zinc/01/07/77/375010777.db2.gz VABXHRGSQVIHBI-MNOVXSKESA-N 2 2 278.404 0.512 20 0 CCADLP Cc1cccc2[nH+]c(CCNC(=O)[C@@H]3OCC[C@@H]3[NH3+])cn21 ZINC000638377391 374972080 /nfs/dbraw/zinc/97/20/80/374972080.db2.gz SKQZREIIWXPJBS-GXTWGEPZSA-N 2 2 288.351 0.418 20 0 CCADLP CCc1c[nH]c(CC(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)[nH+]1 ZINC000638441368 375044266 /nfs/dbraw/zinc/04/42/66/375044266.db2.gz GGCAYLHXPZMPSO-QMTHXVAHSA-N 2 2 262.357 0.854 20 0 CCADLP CCc1c[nH]c(CC(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)[nH+]1 ZINC000638441366 375045237 /nfs/dbraw/zinc/04/52/37/375045237.db2.gz GGCAYLHXPZMPSO-HZMBPMFUSA-N 2 2 262.357 0.854 20 0 CCADLP C[C@H]1CN(C(=O)C2(O)C[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000638448456 375050597 /nfs/dbraw/zinc/05/05/97/375050597.db2.gz RMEYRONQSVOTMM-ZDUSSCGKSA-N 2 2 289.379 0.054 20 0 CCADLP C[C@H]1CN(C(=O)C2(O)C[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000638448456 375050607 /nfs/dbraw/zinc/05/06/07/375050607.db2.gz RMEYRONQSVOTMM-ZDUSSCGKSA-N 2 2 289.379 0.054 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H]1CCCN1CC(F)F ZINC000638517316 375109261 /nfs/dbraw/zinc/10/92/61/375109261.db2.gz STCHTFGWLVXDLK-MNOVXSKESA-N 2 2 292.374 0.111 20 0 CCADLP [NH3+]C1(CNC(=O)Cc2cn3ccccc3[nH+]2)CCOCC1 ZINC000638539260 375127976 /nfs/dbraw/zinc/12/79/76/375127976.db2.gz LLOWDSDJUIVEFW-UHFFFAOYSA-N 2 2 288.351 0.501 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2ccns2)C1 ZINC000638571297 375147454 /nfs/dbraw/zinc/14/74/54/375147454.db2.gz NYTCUEMQQOAMHJ-LLVKDONJSA-N 2 2 282.413 0.820 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2ccns2)C1 ZINC000638571297 375147459 /nfs/dbraw/zinc/14/74/59/375147459.db2.gz NYTCUEMQQOAMHJ-LLVKDONJSA-N 2 2 282.413 0.820 20 0 CCADLP CO[C@H](C[NH2+]C[C@H]1C[N@H+](C)CCN1C)CC(C)C ZINC000638597189 375176951 /nfs/dbraw/zinc/17/69/51/375176951.db2.gz VKJRERFKTPMETP-KBPBESRZSA-N 2 2 257.422 0.883 20 0 CCADLP CO[C@H](C[NH2+]C[C@H]1C[N@@H+](C)CCN1C)CC(C)C ZINC000638597189 375176957 /nfs/dbraw/zinc/17/69/57/375176957.db2.gz VKJRERFKTPMETP-KBPBESRZSA-N 2 2 257.422 0.883 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)[nH+]1 ZINC000638640316 375243775 /nfs/dbraw/zinc/24/37/75/375243775.db2.gz QSLLJGBOPYCMGB-MWLCHTKSSA-N 2 2 250.346 0.771 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C[NH2+]1 ZINC000638643298 375248202 /nfs/dbraw/zinc/24/82/02/375248202.db2.gz JJQFTJVTTMQUEE-UTUOFQBUSA-N 2 2 262.357 0.702 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000638611275 375192039 /nfs/dbraw/zinc/19/20/39/375192039.db2.gz NNEAKKJKJFJXIW-KGLIPLIRSA-N 2 2 277.368 0.176 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000638611275 375192045 /nfs/dbraw/zinc/19/20/45/375192045.db2.gz NNEAKKJKJFJXIW-KGLIPLIRSA-N 2 2 277.368 0.176 20 0 CCADLP C[NH2+][C@@H](C)C(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000638989422 375502196 /nfs/dbraw/zinc/50/21/96/375502196.db2.gz RMOAPXXVLUYSCL-NSHDSACASA-N 2 2 294.424 0.859 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]Cc1ccc(CO)cc1 ZINC000639055640 375551530 /nfs/dbraw/zinc/55/15/30/375551530.db2.gz ZAYWXRZDXFKAGN-UHFFFAOYSA-N 2 2 252.358 0.583 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]Cc1ccc(CO)cc1 ZINC000639055640 375551537 /nfs/dbraw/zinc/55/15/37/375551537.db2.gz ZAYWXRZDXFKAGN-UHFFFAOYSA-N 2 2 252.358 0.583 20 0 CCADLP CC(C)(C[NH2+][C@H]1CCC[N@H+](CCCO)C1)N1CCOCC1 ZINC000639216931 375637755 /nfs/dbraw/zinc/63/77/55/375637755.db2.gz AGCGLDUGJBEILD-HNNXBMFYSA-N 2 2 299.459 0.534 20 0 CCADLP CC(C)(C[NH2+][C@H]1CCC[N@@H+](CCCO)C1)N1CCOCC1 ZINC000639216931 375637762 /nfs/dbraw/zinc/63/77/62/375637762.db2.gz AGCGLDUGJBEILD-HNNXBMFYSA-N 2 2 299.459 0.534 20 0 CCADLP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000639217360 375638196 /nfs/dbraw/zinc/63/81/96/375638196.db2.gz GTZUZWSGGOQIJS-ILXRZTDVSA-N 2 2 297.443 0.870 20 0 CCADLP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000639217360 375638199 /nfs/dbraw/zinc/63/81/99/375638199.db2.gz GTZUZWSGGOQIJS-ILXRZTDVSA-N 2 2 297.443 0.870 20 0 CCADLP Cn1cc(CCC[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cn1 ZINC000639217279 375638302 /nfs/dbraw/zinc/63/83/02/375638302.db2.gz DLFHSEUSBGQDGO-HNNXBMFYSA-N 2 2 280.416 0.789 20 0 CCADLP Cn1cc(CCC[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cn1 ZINC000639217279 375638304 /nfs/dbraw/zinc/63/83/04/375638304.db2.gz DLFHSEUSBGQDGO-HNNXBMFYSA-N 2 2 280.416 0.789 20 0 CCADLP CCCN(Cc1c[nH+]c(N)nc1N)[C@H]1CC[N@H+](C)C1 ZINC000639297994 375709411 /nfs/dbraw/zinc/70/94/11/375709411.db2.gz HERQZCVPWXOWSA-NSHDSACASA-N 2 2 264.377 0.218 20 0 CCADLP CCCN(Cc1c[nH+]c(N)nc1N)[C@H]1CC[N@@H+](C)C1 ZINC000639297994 375709417 /nfs/dbraw/zinc/70/94/17/375709417.db2.gz HERQZCVPWXOWSA-NSHDSACASA-N 2 2 264.377 0.218 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]CCC[C@H]1CCO1 ZINC000639348402 375748894 /nfs/dbraw/zinc/74/88/94/375748894.db2.gz GNVSIQYFZGXQEG-STQMWFEESA-N 2 2 269.389 0.485 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]CCC[C@H]1CCO1 ZINC000639348402 375748897 /nfs/dbraw/zinc/74/88/97/375748897.db2.gz GNVSIQYFZGXQEG-STQMWFEESA-N 2 2 269.389 0.485 20 0 CCADLP OCc1ccc(C[NH2+]CC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000639355158 375754258 /nfs/dbraw/zinc/75/42/58/375754258.db2.gz QJNVCTSJHQYEMB-CQSZACIVSA-N 2 2 250.342 0.335 20 0 CCADLP OCc1ccc(C[NH2+]CC[N@H+]2CC[C@@H](O)C2)cc1 ZINC000639355158 375754264 /nfs/dbraw/zinc/75/42/64/375754264.db2.gz QJNVCTSJHQYEMB-CQSZACIVSA-N 2 2 250.342 0.335 20 0 CCADLP COC[C@H]([NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1)C1CC1 ZINC000639371680 375766591 /nfs/dbraw/zinc/76/65/91/375766591.db2.gz UOPUHCUGDCEWPS-XGUBFFRZSA-N 2 2 268.401 0.989 20 0 CCADLP COC[C@H]([NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1)C1CC1 ZINC000639371680 375766596 /nfs/dbraw/zinc/76/65/96/375766596.db2.gz UOPUHCUGDCEWPS-XGUBFFRZSA-N 2 2 268.401 0.989 20 0 CCADLP C[C@@H]1OCC[C@H]1C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000639547502 375830243 /nfs/dbraw/zinc/83/02/43/375830243.db2.gz WZVGEFBQNYHTLA-KCQAQPDRSA-N 2 2 295.427 0.826 20 0 CCADLP C[C@@H]1OCC[C@H]1C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000639547502 375830248 /nfs/dbraw/zinc/83/02/48/375830248.db2.gz WZVGEFBQNYHTLA-KCQAQPDRSA-N 2 2 295.427 0.826 20 0 CCADLP Cc1nnc(CN2CC[NH+](CCc3c[nH+]cn3C)CC2)[nH]1 ZINC000639546655 375830540 /nfs/dbraw/zinc/83/05/40/375830540.db2.gz PFVRFOVRVVXDHR-UHFFFAOYSA-N 2 2 289.387 0.207 20 0 CCADLP C[C@@H](O)C[C@H]1COCC[N@@H+]1CCc1c[nH+]cn1C ZINC000639586867 375845315 /nfs/dbraw/zinc/84/53/15/375845315.db2.gz ADCZIPMXFZKZIN-YPMHNXCESA-N 2 2 253.346 0.434 20 0 CCADLP C[C@@H](O)C[C@H]1COCC[N@H+]1CCc1c[nH+]cn1C ZINC000639586867 375845321 /nfs/dbraw/zinc/84/53/21/375845321.db2.gz ADCZIPMXFZKZIN-YPMHNXCESA-N 2 2 253.346 0.434 20 0 CCADLP C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CCc1c[nH+]cn1C ZINC000639640313 375880966 /nfs/dbraw/zinc/88/09/66/375880966.db2.gz CCRPQLLIICENFH-DZGCQCFKSA-N 2 2 278.400 0.758 20 0 CCADLP C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1CCc1c[nH+]cn1C ZINC000639640313 375880973 /nfs/dbraw/zinc/88/09/73/375880973.db2.gz CCRPQLLIICENFH-DZGCQCFKSA-N 2 2 278.400 0.758 20 0 CCADLP CC(C)[N@@H+](CCc1c[nH+]cn1C)C[C@H]1CCC(=O)N1 ZINC000639676879 375908489 /nfs/dbraw/zinc/90/84/89/375908489.db2.gz AUYWCJGADWGTLF-GFCCVEGCSA-N 2 2 264.373 0.952 20 0 CCADLP O[C@@H]1CC[N@@H+]([C@H]2CCC[C@H]2[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC000639681508 375912531 /nfs/dbraw/zinc/91/25/31/375912531.db2.gz QMRUMUHVOJBSIB-DGAVXFQQSA-N 2 2 291.399 0.343 20 0 CCADLP O[C@@H]1CC[N@H+]([C@H]2CCC[C@H]2[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC000639681508 375912536 /nfs/dbraw/zinc/91/25/36/375912536.db2.gz QMRUMUHVOJBSIB-DGAVXFQQSA-N 2 2 291.399 0.343 20 0 CCADLP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764450 375993769 /nfs/dbraw/zinc/99/37/69/375993769.db2.gz VQIOGCBDBXIZIP-GUTXKFCHSA-N 2 2 285.432 0.678 20 0 CCADLP CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764450 375993772 /nfs/dbraw/zinc/99/37/72/375993772.db2.gz VQIOGCBDBXIZIP-GUTXKFCHSA-N 2 2 285.432 0.678 20 0 CCADLP CC[N@H+](C)C[C@H](O)CN[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000639774226 376003701 /nfs/dbraw/zinc/00/37/01/376003701.db2.gz ZTEULZUABMXIHG-CHWSQXEVSA-N 2 2 298.431 0.382 20 0 CCADLP CC[N@@H+](C)C[C@H](O)CN[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000639774226 376003705 /nfs/dbraw/zinc/00/37/05/376003705.db2.gz ZTEULZUABMXIHG-CHWSQXEVSA-N 2 2 298.431 0.382 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CCc2cnccn2)C1 ZINC000639761955 375988495 /nfs/dbraw/zinc/98/84/95/375988495.db2.gz IIHBZOAWPRLQGY-CQSZACIVSA-N 2 2 264.373 0.408 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCc2cnccn2)C1 ZINC000639761955 375988501 /nfs/dbraw/zinc/98/85/01/375988501.db2.gz IIHBZOAWPRLQGY-CQSZACIVSA-N 2 2 264.373 0.408 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)C[C@@H](C)O1 ZINC000639763292 375990146 /nfs/dbraw/zinc/99/01/46/375990146.db2.gz PTMOZMZSZJUZSF-OAGGEKHMSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)C[C@@H](C)O1 ZINC000639763292 375990148 /nfs/dbraw/zinc/99/01/48/375990148.db2.gz PTMOZMZSZJUZSF-OAGGEKHMSA-N 2 2 299.459 0.484 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCO[C@H](Cn2ccnn2)C1 ZINC000639860169 376089483 /nfs/dbraw/zinc/08/94/83/376089483.db2.gz OLLRWBYUXNIVHP-CABCVRRESA-N 2 2 293.415 0.853 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCO[C@H](Cn2ccnn2)C1 ZINC000639860169 376089487 /nfs/dbraw/zinc/08/94/87/376089487.db2.gz OLLRWBYUXNIVHP-CABCVRRESA-N 2 2 293.415 0.853 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000639860169 376089492 /nfs/dbraw/zinc/08/94/92/376089492.db2.gz OLLRWBYUXNIVHP-CABCVRRESA-N 2 2 293.415 0.853 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000639860169 376089496 /nfs/dbraw/zinc/08/94/96/376089496.db2.gz OLLRWBYUXNIVHP-CABCVRRESA-N 2 2 293.415 0.853 20 0 CCADLP C[C@]12C[N@H+](CCCn3cc[nH+]c3)C[C@@]1(C)C(=O)NC2=O ZINC000639949978 376147298 /nfs/dbraw/zinc/14/72/98/376147298.db2.gz PRDALVUNYFWTEH-OKILXGFUSA-N 2 2 276.340 0.258 20 0 CCADLP C[C@]12C[N@@H+](CCCn3cc[nH+]c3)C[C@@]1(C)C(=O)NC2=O ZINC000639949978 376147306 /nfs/dbraw/zinc/14/73/06/376147306.db2.gz PRDALVUNYFWTEH-OKILXGFUSA-N 2 2 276.340 0.258 20 0 CCADLP CO[C@@H](CC(C)C)C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051020 376215503 /nfs/dbraw/zinc/21/55/03/376215503.db2.gz CNTSKLRIWAVRCJ-AWEZNQCLSA-N 2 2 285.432 0.753 20 0 CCADLP CO[C@@H](CC(C)C)C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640051020 376215505 /nfs/dbraw/zinc/21/55/05/376215505.db2.gz CNTSKLRIWAVRCJ-AWEZNQCLSA-N 2 2 285.432 0.753 20 0 CCADLP C[C@@H]1CC[C@@H](C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)O1 ZINC000640051472 376216717 /nfs/dbraw/zinc/21/67/17/376216717.db2.gz NRJIWYBERYHNPX-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@@H]1CC[C@@H](C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)O1 ZINC000640051472 376216721 /nfs/dbraw/zinc/21/67/21/376216721.db2.gz NRJIWYBERYHNPX-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP C[N@H+](CCO[C@H]1CCCCO1)CC(=O)N1CC[NH+](C)CC1 ZINC000640051693 376218600 /nfs/dbraw/zinc/21/86/00/376218600.db2.gz WHIUPEIVRJJTSM-HNNXBMFYSA-N 2 2 299.415 0.235 20 0 CCADLP C[N@@H+](CCO[C@H]1CCCCO1)CC(=O)N1CC[NH+](C)CC1 ZINC000640051693 376218607 /nfs/dbraw/zinc/21/86/07/376218607.db2.gz WHIUPEIVRJJTSM-HNNXBMFYSA-N 2 2 299.415 0.235 20 0 CCADLP C[N@H+](CCC[C@H]1CCOC1)CC(=O)N1CC[NH+](C)CC1 ZINC000640051724 376219400 /nfs/dbraw/zinc/21/94/00/376219400.db2.gz XQDXXGTVKJKFTC-AWEZNQCLSA-N 2 2 283.416 0.509 20 0 CCADLP C[N@@H+](CCC[C@H]1CCOC1)CC(=O)N1CC[NH+](C)CC1 ZINC000640051724 376219408 /nfs/dbraw/zinc/21/94/08/376219408.db2.gz XQDXXGTVKJKFTC-AWEZNQCLSA-N 2 2 283.416 0.509 20 0 CCADLP COCC[C@H](C)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640057924 376221718 /nfs/dbraw/zinc/22/17/18/376221718.db2.gz IOCYMKKCUPUIFS-LBPRGKRZSA-N 2 2 257.378 0.117 20 0 CCADLP COCC[C@H](C)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640057924 376221725 /nfs/dbraw/zinc/22/17/25/376221725.db2.gz IOCYMKKCUPUIFS-LBPRGKRZSA-N 2 2 257.378 0.117 20 0 CCADLP C[C@H]1OCC[C@@H]1C[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640060394 376222656 /nfs/dbraw/zinc/22/26/56/376222656.db2.gz IVDHXICZAROECX-CHWSQXEVSA-N 2 2 269.389 0.117 20 0 CCADLP C[C@H]1OCC[C@@H]1C[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640060394 376222666 /nfs/dbraw/zinc/22/26/66/376222666.db2.gz IVDHXICZAROECX-CHWSQXEVSA-N 2 2 269.389 0.117 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1COC(C)(C)C1 ZINC000640064381 376225039 /nfs/dbraw/zinc/22/50/39/376225039.db2.gz URCXUEAMUSVOCD-GFCCVEGCSA-N 2 2 269.389 0.260 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1COC(C)(C)C1 ZINC000640064381 376225045 /nfs/dbraw/zinc/22/50/45/376225045.db2.gz URCXUEAMUSVOCD-GFCCVEGCSA-N 2 2 269.389 0.260 20 0 CCADLP CC(C)CC[C@H](O)C[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000569095358 291648030 /nfs/dbraw/zinc/64/80/30/291648030.db2.gz PBRFJPQOWOQLNT-HNNXBMFYSA-N 2 2 299.459 0.926 20 0 CCADLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CC[NH+](CC(F)F)CC1 ZINC000569102423 291648971 /nfs/dbraw/zinc/64/89/71/291648971.db2.gz OGJPXQCBIQVTBT-IAZYJMLFSA-N 2 2 273.327 0.298 20 0 CCADLP c1cn(CCn2cc(C[C@H]3CCC[NH2+]C3)nn2)c[nH+]1 ZINC000641123759 376797788 /nfs/dbraw/zinc/79/77/88/376797788.db2.gz PUSNUUWGNLXLOU-GFCCVEGCSA-N 2 2 260.345 0.717 20 0 CCADLP Nc1[nH+]cccc1Cn1cc(C[N@@H+]2CCC[C@@H]2CO)nn1 ZINC000641165865 376832050 /nfs/dbraw/zinc/83/20/50/376832050.db2.gz KESOYKUWSNKAGN-CYBMUJFWSA-N 2 2 288.355 0.260 20 0 CCADLP Nc1[nH+]cccc1Cn1cc(C[N@H+]2CCC[C@@H]2CO)nn1 ZINC000641165865 376832055 /nfs/dbraw/zinc/83/20/55/376832055.db2.gz KESOYKUWSNKAGN-CYBMUJFWSA-N 2 2 288.355 0.260 20 0 CCADLP COCC[NH2+]CCc1cn(Cc2c[nH+]ccc2OC)nn1 ZINC000641169335 376839714 /nfs/dbraw/zinc/83/97/14/376839714.db2.gz WRZZSCYNALLLDK-UHFFFAOYSA-N 2 2 291.355 0.509 20 0 CCADLP CN(C)c1ccc(Cn2cc(CC[NH+](C)C)nn2)c[nH+]1 ZINC000641177842 376848233 /nfs/dbraw/zinc/84/82/33/376848233.db2.gz NYTOLJGOJCWNKM-UHFFFAOYSA-N 2 2 274.372 0.892 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000641224602 376918776 /nfs/dbraw/zinc/91/87/76/376918776.db2.gz WHDXBRQHKVWNME-ZDUSSCGKSA-N 2 2 278.360 0.224 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)Cn1cc(Cn2cc[nH+]c2)nn1 ZINC000641224602 376918785 /nfs/dbraw/zinc/91/87/85/376918785.db2.gz WHDXBRQHKVWNME-ZDUSSCGKSA-N 2 2 278.360 0.224 20 0 CCADLP CC[N@H+](CCNS(=O)(=O)CCn1cc[nH+]c1)C1CC1 ZINC000641313885 376986879 /nfs/dbraw/zinc/98/68/79/376986879.db2.gz RAHFCHHOQUWFOE-UHFFFAOYSA-N 2 2 286.401 0.287 20 0 CCADLP CC[N@@H+](CCNS(=O)(=O)CCn1cc[nH+]c1)C1CC1 ZINC000641313885 376986882 /nfs/dbraw/zinc/98/68/82/376986882.db2.gz RAHFCHHOQUWFOE-UHFFFAOYSA-N 2 2 286.401 0.287 20 0 CCADLP C[NH+](C)[C@H]1CCCN(S(=O)(=O)CCn2cc[nH+]c2)C1 ZINC000641323769 376994561 /nfs/dbraw/zinc/99/45/61/376994561.db2.gz IMGKVLLBIYTLGP-LBPRGKRZSA-N 2 2 286.401 0.239 20 0 CCADLP OC1(C[NH+]2CCOCC2)CCN(c2cc[nH+]cc2F)CC1 ZINC000641484309 377167887 /nfs/dbraw/zinc/16/78/87/377167887.db2.gz MXCXZARVIKXEOK-UHFFFAOYSA-N 2 2 295.358 0.884 20 0 CCADLP C[C@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)CCn1cc[nH+]c1 ZINC000641510941 377197882 /nfs/dbraw/zinc/19/78/82/377197882.db2.gz JHMIRSQFKNBELX-RYUDHWBXSA-N 2 2 286.401 0.237 20 0 CCADLP C[NH+](C)C1(CS(=O)(=O)N2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000641592947 377295999 /nfs/dbraw/zinc/29/59/99/377295999.db2.gz MMMBSKZBZIQTKO-UHFFFAOYSA-N 2 2 289.445 0.436 20 0 CCADLP C[NH+](C)C1(CS(=O)(=O)N2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000641592947 377296009 /nfs/dbraw/zinc/29/60/09/377296009.db2.gz MMMBSKZBZIQTKO-UHFFFAOYSA-N 2 2 289.445 0.436 20 0 CCADLP OCc1cc[nH+]c(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000641667940 377376170 /nfs/dbraw/zinc/37/61/70/377376170.db2.gz BJVOCTUIWRWGBF-CQSZACIVSA-N 2 2 277.368 0.609 20 0 CCADLP OCc1cc[nH+]c(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000641667940 377376179 /nfs/dbraw/zinc/37/61/79/377376179.db2.gz BJVOCTUIWRWGBF-CQSZACIVSA-N 2 2 277.368 0.609 20 0 CCADLP CC1(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)COC1 ZINC000641786898 377463491 /nfs/dbraw/zinc/46/34/91/377463491.db2.gz JRCWBFYLSYHECI-HNNXBMFYSA-N 2 2 297.443 0.409 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCS(=O)(=O)N(C)C)[C@@H]1C ZINC000641807491 377480337 /nfs/dbraw/zinc/48/03/37/377480337.db2.gz UWNQTNOWYKGYHO-IJLUTSLNSA-N 2 2 277.434 0.326 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCS(=O)(=O)N(C)C)[C@@H]1C ZINC000641807491 377480343 /nfs/dbraw/zinc/48/03/43/377480343.db2.gz UWNQTNOWYKGYHO-IJLUTSLNSA-N 2 2 277.434 0.326 20 0 CCADLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1nnnn1-c1ccccc1 ZINC000641809297 377482156 /nfs/dbraw/zinc/48/21/56/377482156.db2.gz VXUAPDPSQLEXNT-RYUDHWBXSA-N 2 2 272.356 0.878 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@H](CC)[NH+]1CCCC1 ZINC000422967079 249012455 /nfs/dbraw/zinc/01/24/55/249012455.db2.gz SFMODGMBQSUTBU-BFHYXJOUSA-N 2 2 283.416 0.744 20 0 CCADLP CCOC[C@@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000459714607 249056700 /nfs/dbraw/zinc/05/67/00/249056700.db2.gz OMLGGIRTTGMKJD-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP CCOC[C@@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000459714607 249056702 /nfs/dbraw/zinc/05/67/02/249056702.db2.gz OMLGGIRTTGMKJD-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP CCc1nc(NC[C@](C)(O)C[NH+]2CCOCC2)cc(C)[nH+]1 ZINC000514622730 249095522 /nfs/dbraw/zinc/09/55/22/249095522.db2.gz PZYRIEDDXGMGAV-HNNXBMFYSA-N 2 2 294.399 0.264 20 0 CCADLP C[C@H](CC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C)n1cc[nH+]c1 ZINC000516076367 249150825 /nfs/dbraw/zinc/15/08/25/249150825.db2.gz PNOFXFINJBLMLW-MGPQQGTHSA-N 2 2 294.399 0.748 20 0 CCADLP C[C@H](CC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C)n1cc[nH+]c1 ZINC000516076367 249150827 /nfs/dbraw/zinc/15/08/27/249150827.db2.gz PNOFXFINJBLMLW-MGPQQGTHSA-N 2 2 294.399 0.748 20 0 CCADLP [NH3+]C[C@@H]1CN(C(=O)C2CC[NH+](CC(F)F)CC2)CCO1 ZINC000515647459 249141150 /nfs/dbraw/zinc/14/11/50/249141150.db2.gz PRUPWRBMEXAPMN-LLVKDONJSA-N 2 2 291.342 0.150 20 0 CCADLP CCOC(=O)C[N@@H+]1CCCN(C(=O)CC[NH2+]C(C)C)CC1 ZINC000516648985 249174491 /nfs/dbraw/zinc/17/44/91/249174491.db2.gz FDAPSORJJXWSOB-UHFFFAOYSA-N 2 2 299.415 0.472 20 0 CCADLP CCOC(=O)C[N@H+]1CCCN(C(=O)CC[NH2+]C(C)C)CC1 ZINC000516648985 249174492 /nfs/dbraw/zinc/17/44/92/249174492.db2.gz FDAPSORJJXWSOB-UHFFFAOYSA-N 2 2 299.415 0.472 20 0 CCADLP C[C@H](CC(=O)N1CCN(CC[NH+](C)C)CC1)n1cc[nH+]c1 ZINC000517033883 249201141 /nfs/dbraw/zinc/20/11/41/249201141.db2.gz QFXWSPAWTNHRAU-CQSZACIVSA-N 2 2 293.415 0.540 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000517245268 249211774 /nfs/dbraw/zinc/21/17/74/249211774.db2.gz VDAHFXGISAGIRZ-NSHDSACASA-N 2 2 250.346 0.752 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000517245268 249211777 /nfs/dbraw/zinc/21/17/77/249211777.db2.gz VDAHFXGISAGIRZ-NSHDSACASA-N 2 2 250.346 0.752 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000517607418 249225490 /nfs/dbraw/zinc/22/54/90/249225490.db2.gz NXQOESQKTPZFTM-GXFFZTMASA-N 2 2 262.357 0.562 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000517607418 249225493 /nfs/dbraw/zinc/22/54/93/249225493.db2.gz NXQOESQKTPZFTM-GXFFZTMASA-N 2 2 262.357 0.562 20 0 CCADLP Cc1c[nH+]c(C)nc1NC[C@H]1CCC[N@@H+]1CCCO ZINC000518562771 249255808 /nfs/dbraw/zinc/25/58/08/249255808.db2.gz OGNHMWSQGVBBSK-CYBMUJFWSA-N 2 2 264.373 0.774 20 0 CCADLP Cc1c[nH+]c(C)nc1NC[C@H]1CCC[N@H+]1CCCO ZINC000518562771 249255812 /nfs/dbraw/zinc/25/58/12/249255812.db2.gz OGNHMWSQGVBBSK-CYBMUJFWSA-N 2 2 264.373 0.774 20 0 CCADLP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000362313988 284732666 /nfs/dbraw/zinc/73/26/66/284732666.db2.gz MJQJSPKCWHVREJ-HUUCEWRRSA-N 2 2 297.443 0.897 20 0 CCADLP C[C@H]([NH2+]CCC(=O)NC(N)=O)[C@H](c1ccccc1)[NH+](C)C ZINC000569838739 291712882 /nfs/dbraw/zinc/71/28/82/291712882.db2.gz NLEDTCHYHZLWQX-SMDDNHRTSA-N 2 2 292.383 0.852 20 0 CCADLP CN(C)c1ccc(CNC(=O)CC(F)(F)C[NH3+])c[nH+]1 ZINC000569860297 291715727 /nfs/dbraw/zinc/71/57/27/291715727.db2.gz VNUVVXNWZZACEN-UHFFFAOYSA-N 2 2 272.299 0.748 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@H](CO)c1ccc(F)cc1)C1CC1 ZINC000289460142 197358260 /nfs/dbraw/zinc/35/82/60/197358260.db2.gz GEPFAJWHIXZBAL-HUUCEWRRSA-N 2 2 282.359 0.904 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@H](CO)c1ccc(F)cc1)C1CC1 ZINC000289460142 197358261 /nfs/dbraw/zinc/35/82/61/197358261.db2.gz GEPFAJWHIXZBAL-HUUCEWRRSA-N 2 2 282.359 0.904 20 0 CCADLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC000289440033 197347791 /nfs/dbraw/zinc/34/77/91/197347791.db2.gz WMEMIMVXEVUKEE-SNVBAGLBSA-N 2 2 264.329 0.086 20 0 CCADLP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC000289440033 197347793 /nfs/dbraw/zinc/34/77/93/197347793.db2.gz WMEMIMVXEVUKEE-SNVBAGLBSA-N 2 2 264.329 0.086 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000279157356 194310332 /nfs/dbraw/zinc/31/03/32/194310332.db2.gz HVLNCXPJTDEIJF-NSHDSACASA-N 2 2 250.346 0.943 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000279157356 194310334 /nfs/dbraw/zinc/31/03/34/194310334.db2.gz HVLNCXPJTDEIJF-NSHDSACASA-N 2 2 250.346 0.943 20 0 CCADLP COCCOCCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657297059 412952712 /nfs/dbraw/zinc/95/27/12/412952712.db2.gz LARPECUFXIVPFH-UHFFFAOYSA-N 2 2 253.346 0.972 20 0 CCADLP Cc1c[nH]c(C[NH2+]CCC[NH+]2CCC(O)CC2)n1 ZINC000657325361 412962068 /nfs/dbraw/zinc/96/20/68/412962068.db2.gz IFJBXEVRDHIQCF-UHFFFAOYSA-N 2 2 252.362 0.655 20 0 CCADLP C[C@@H]([NH3+])CCC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000423868387 532952834 /nfs/dbraw/zinc/95/28/34/532952834.db2.gz NKEBHKOVYFXGLA-TZMCWYRMSA-N 2 2 283.416 0.683 20 0 CCADLP C[C@@H]([NH3+])CCC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000423868387 532952837 /nfs/dbraw/zinc/95/28/37/532952837.db2.gz NKEBHKOVYFXGLA-TZMCWYRMSA-N 2 2 283.416 0.683 20 0 CCADLP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1COCC[NH2+]1 ZINC000246184775 285008569 /nfs/dbraw/zinc/00/85/69/285008569.db2.gz CNCKILYVUOSTQQ-UONOGXRCSA-N 2 2 281.400 0.356 20 0 CCADLP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1COCC[NH2+]1 ZINC000246184775 285008570 /nfs/dbraw/zinc/00/85/70/285008570.db2.gz CNCKILYVUOSTQQ-UONOGXRCSA-N 2 2 281.400 0.356 20 0 CCADLP CC[N@H+](CC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)C1CC1 ZINC000246350659 285016984 /nfs/dbraw/zinc/01/69/84/285016984.db2.gz VWVCJHVXRNJJMH-OLZOCXBDSA-N 2 2 283.416 0.696 20 0 CCADLP CC[N@@H+](CC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)C1CC1 ZINC000246350659 285016987 /nfs/dbraw/zinc/01/69/87/285016987.db2.gz VWVCJHVXRNJJMH-OLZOCXBDSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1cccc(-n2ccnn2)c1 ZINC000571633615 291827029 /nfs/dbraw/zinc/82/70/29/291827029.db2.gz PGKPKSQFCXXFPH-IUODEOHRSA-N 2 2 287.367 0.906 20 0 CCADLP COCCN1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC000449384573 532985664 /nfs/dbraw/zinc/98/56/64/532985664.db2.gz BXDPLCKPCCUEIT-GJZGRUSLSA-N 2 2 285.432 0.144 20 0 CCADLP COCCN1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC000449384573 532985671 /nfs/dbraw/zinc/98/56/71/532985671.db2.gz BXDPLCKPCCUEIT-GJZGRUSLSA-N 2 2 285.432 0.144 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000418724924 532990488 /nfs/dbraw/zinc/99/04/88/532990488.db2.gz NOECZNJICJVZLD-NTZNESFSSA-N 2 2 278.356 0.980 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCCO2)C1 ZINC000247704483 285058806 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COC[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000395982897 285229928 /nfs/dbraw/zinc/22/99/28/285229928.db2.gz ANZHUGXZCPJHGS-ZIAGYGMSSA-N 2 2 256.390 0.942 20 0 CCADLP COC[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000395982897 285229930 /nfs/dbraw/zinc/22/99/30/285229930.db2.gz ANZHUGXZCPJHGS-ZIAGYGMSSA-N 2 2 256.390 0.942 20 0 CCADLP COC[C@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000395982897 285229931 /nfs/dbraw/zinc/22/99/31/285229931.db2.gz ANZHUGXZCPJHGS-ZIAGYGMSSA-N 2 2 256.390 0.942 20 0 CCADLP COC[C@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000395982897 285229932 /nfs/dbraw/zinc/22/99/32/285229932.db2.gz ANZHUGXZCPJHGS-ZIAGYGMSSA-N 2 2 256.390 0.942 20 0 CCADLP CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657606248 413036115 /nfs/dbraw/zinc/03/61/15/413036115.db2.gz SFJJSQLCOKYJGY-MROQNXINSA-N 2 2 288.413 0.015 20 0 CCADLP CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657606248 413036122 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C[C@H]1C[C@H]([NH+](C)CCS(=O)(=O)N(C)C)CC[N@@H+]1C ZINC000336785918 389017840 /nfs/dbraw/zinc/01/78/40/389017840.db2.gz GLNKHBJHEZAHJU-NWDGAFQWSA-N 2 2 277.434 0.292 20 0 CCADLP C[C@H]1C[C@H]([NH+](C)CCS(=O)(=O)N(C)C)CC[N@H+]1C ZINC000336785918 389017843 /nfs/dbraw/zinc/01/78/43/389017843.db2.gz GLNKHBJHEZAHJU-NWDGAFQWSA-N 2 2 277.434 0.292 20 0 CCADLP C[C@H]1C[C@H]([N@H+](C)CCS(=O)(=O)N(C)C)CC[NH+]1C ZINC000336785918 389017845 /nfs/dbraw/zinc/01/78/45/389017845.db2.gz GLNKHBJHEZAHJU-NWDGAFQWSA-N 2 2 277.434 0.292 20 0 CCADLP C[C@H]1C[C@H]([N@@H+](C)CCS(=O)(=O)N(C)C)CC[NH+]1C ZINC000336785918 389017847 /nfs/dbraw/zinc/01/78/47/389017847.db2.gz GLNKHBJHEZAHJU-NWDGAFQWSA-N 2 2 277.434 0.292 20 0 CCADLP Cc1nc(N2CCN(c3cc[nH+]cc3C(N)=O)CC2)cc[nH+]1 ZINC000302182996 389065001 /nfs/dbraw/zinc/06/50/01/389065001.db2.gz ZLJPUWCGFIYLJC-UHFFFAOYSA-N 2 2 298.350 0.606 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N1CC[NH+](C)CC[C@H]1C ZINC000355400797 389072418 /nfs/dbraw/zinc/07/24/18/389072418.db2.gz VMEGWMCZVTVBCF-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N1CC[NH+](C)CC[C@H]1C ZINC000355400797 389072420 /nfs/dbraw/zinc/07/24/20/389072420.db2.gz VMEGWMCZVTVBCF-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000355400797 389072421 /nfs/dbraw/zinc/07/24/21/389072421.db2.gz VMEGWMCZVTVBCF-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000355400797 389072422 /nfs/dbraw/zinc/07/24/22/389072422.db2.gz VMEGWMCZVTVBCF-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H](CNC(=O)C(C)(C)[NH+]1CCOCC1)[NH+](C)C ZINC000338153003 389080390 /nfs/dbraw/zinc/08/03/90/389080390.db2.gz DLEIBYPMUOJLRD-LLVKDONJSA-N 2 2 257.378 0.164 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000358166093 389144323 /nfs/dbraw/zinc/14/43/23/389144323.db2.gz WICYKBGFVWIFFD-UHOFOFEASA-N 2 2 279.428 0.922 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC[C@H]1C[NH+](C2CC2)CCO1 ZINC000358166093 389144324 /nfs/dbraw/zinc/14/43/24/389144324.db2.gz WICYKBGFVWIFFD-UHOFOFEASA-N 2 2 279.428 0.922 20 0 CCADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000358166093 389144327 /nfs/dbraw/zinc/14/43/27/389144327.db2.gz WICYKBGFVWIFFD-UHOFOFEASA-N 2 2 279.428 0.922 20 0 CCADLP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000358166093 389144330 /nfs/dbraw/zinc/14/43/30/389144330.db2.gz WICYKBGFVWIFFD-UHOFOFEASA-N 2 2 279.428 0.922 20 0 CCADLP CN(C)C(=O)N1CCC([NH2+]C[C@H]2CCC[N@@H+]2C)CC1 ZINC000223605103 389144474 /nfs/dbraw/zinc/14/44/74/389144474.db2.gz UDPWTSRCLUXYQO-CYBMUJFWSA-N 2 2 268.405 0.816 20 0 CCADLP CN(C)C(=O)N1CCC([NH2+]C[C@H]2CCC[N@H+]2C)CC1 ZINC000223605103 389144476 /nfs/dbraw/zinc/14/44/76/389144476.db2.gz UDPWTSRCLUXYQO-CYBMUJFWSA-N 2 2 268.405 0.816 20 0 CCADLP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358225341 389145063 /nfs/dbraw/zinc/14/50/63/389145063.db2.gz CPHIEVVIJZULEO-MRVWCRGKSA-N 2 2 253.390 0.125 20 0 CCADLP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358225341 389145066 /nfs/dbraw/zinc/14/50/66/389145066.db2.gz CPHIEVVIJZULEO-MRVWCRGKSA-N 2 2 253.390 0.125 20 0 CCADLP C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000107574389 389096905 /nfs/dbraw/zinc/09/69/05/389096905.db2.gz VGBQIEGPDVBGFO-KPWCQOOUSA-N 2 2 265.401 0.642 20 0 CCADLP C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000107574389 389096908 /nfs/dbraw/zinc/09/69/08/389096908.db2.gz VGBQIEGPDVBGFO-KPWCQOOUSA-N 2 2 265.401 0.642 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCOC[C@@H](C)C2)CC1 ZINC000338249895 389097536 /nfs/dbraw/zinc/09/75/36/389097536.db2.gz GSLPGFTYHYPNFU-UONOGXRCSA-N 2 2 283.416 0.507 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCOC[C@@H](C)C2)CC1 ZINC000338249895 389097538 /nfs/dbraw/zinc/09/75/38/389097538.db2.gz GSLPGFTYHYPNFU-UONOGXRCSA-N 2 2 283.416 0.507 20 0 CCADLP Cc1nc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)nc(N)[nH+]1 ZINC000311969356 389106283 /nfs/dbraw/zinc/10/62/83/389106283.db2.gz JMXXTSBZVLCKLM-WDEREUQCSA-N 2 2 262.361 0.683 20 0 CCADLP Cc1nc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)nc(N)[nH+]1 ZINC000311969356 389106285 /nfs/dbraw/zinc/10/62/85/389106285.db2.gz JMXXTSBZVLCKLM-WDEREUQCSA-N 2 2 262.361 0.683 20 0 CCADLP Cc1nc(N)nc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)[nH+]1 ZINC000311969356 389106286 /nfs/dbraw/zinc/10/62/86/389106286.db2.gz JMXXTSBZVLCKLM-WDEREUQCSA-N 2 2 262.361 0.683 20 0 CCADLP Cc1nc(N)nc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)[nH+]1 ZINC000311969356 389106288 /nfs/dbraw/zinc/10/62/88/389106288.db2.gz JMXXTSBZVLCKLM-WDEREUQCSA-N 2 2 262.361 0.683 20 0 CCADLP CCC(CC)[C@H](C(=O)NC[C@H](C)[NH3+])[NH+]1CCOCC1 ZINC000194901600 389109664 /nfs/dbraw/zinc/10/96/64/389109664.db2.gz PMZAYILFILQKQB-WCQYABFASA-N 2 2 271.405 0.587 20 0 CCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313338304 389112320 /nfs/dbraw/zinc/11/23/20/389112320.db2.gz BELNEQVZXAMJCJ-NWDGAFQWSA-N 2 2 257.378 0.293 20 0 CCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313338304 389112323 /nfs/dbraw/zinc/11/23/23/389112323.db2.gz BELNEQVZXAMJCJ-NWDGAFQWSA-N 2 2 257.378 0.293 20 0 CCADLP CCN(CC)C(=O)[C@@H](C)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313338303 389112446 /nfs/dbraw/zinc/11/24/46/389112446.db2.gz BELNEQVZXAMJCJ-NEPJUHHUSA-N 2 2 257.378 0.293 20 0 CCADLP CCN(CC)C(=O)[C@@H](C)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313338303 389112450 /nfs/dbraw/zinc/11/24/50/389112450.db2.gz BELNEQVZXAMJCJ-NEPJUHHUSA-N 2 2 257.378 0.293 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000355699856 389113845 /nfs/dbraw/zinc/11/38/45/389113845.db2.gz GOAMBLVKYHSMIQ-UHFFFAOYSA-N 2 2 280.372 0.902 20 0 CCADLP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313393231 389113829 /nfs/dbraw/zinc/11/38/29/389113829.db2.gz OAGRBZSYQVCTRV-AVGNSLFASA-N 2 2 271.405 0.729 20 0 CCADLP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313393231 389113833 /nfs/dbraw/zinc/11/38/33/389113833.db2.gz OAGRBZSYQVCTRV-AVGNSLFASA-N 2 2 271.405 0.729 20 0 CCADLP C[C@@H]1OCC[C@@H]1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000356015708 389118841 /nfs/dbraw/zinc/11/88/41/389118841.db2.gz QYPCNSJCFOJKGO-ZFWWWQNUSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@@H]1OCC[C@@H]1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000356015708 389118842 /nfs/dbraw/zinc/11/88/42/389118842.db2.gz QYPCNSJCFOJKGO-ZFWWWQNUSA-N 2 2 297.443 0.896 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H](CO)c1ccccc1 ZINC000357318743 389133369 /nfs/dbraw/zinc/13/33/69/389133369.db2.gz JNMULXLWMDQHDI-OAHLLOKOSA-N 2 2 291.395 0.426 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H](CO)c1ccccc1 ZINC000357318743 389133371 /nfs/dbraw/zinc/13/33/71/389133371.db2.gz JNMULXLWMDQHDI-OAHLLOKOSA-N 2 2 291.395 0.426 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CC2(C1)CCOCC2)C1CC1 ZINC000357442192 389134840 /nfs/dbraw/zinc/13/48/40/389134840.db2.gz SIKKTBIJPZTYQW-CYBMUJFWSA-N 2 2 254.374 0.554 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CC2(C1)CCOCC2)C1CC1 ZINC000357442192 389134843 /nfs/dbraw/zinc/13/48/43/389134843.db2.gz SIKKTBIJPZTYQW-CYBMUJFWSA-N 2 2 254.374 0.554 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129570745 389189914 /nfs/dbraw/zinc/18/99/14/389189914.db2.gz AQXONOKRWBVJMQ-UONOGXRCSA-N 2 2 294.399 0.919 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129570745 389189918 /nfs/dbraw/zinc/18/99/18/389189918.db2.gz AQXONOKRWBVJMQ-UONOGXRCSA-N 2 2 294.399 0.919 20 0 CCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2c[nH+]cn2C)C1 ZINC000360288574 389195501 /nfs/dbraw/zinc/19/55/01/389195501.db2.gz CEVPNXARSKAUFL-GFCCVEGCSA-N 2 2 279.388 0.903 20 0 CCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2c[nH+]cn2C)C1 ZINC000360288574 389195504 /nfs/dbraw/zinc/19/55/04/389195504.db2.gz CEVPNXARSKAUFL-GFCCVEGCSA-N 2 2 279.388 0.903 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+](CCO)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000130138703 389199443 /nfs/dbraw/zinc/19/94/43/389199443.db2.gz CLMJYAQQPZIWGY-UKRRQHHQSA-N 2 2 291.395 0.459 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@]2(CNC(=O)C2)C1)C1CC1 ZINC000329813210 389203489 /nfs/dbraw/zinc/20/34/89/389203489.db2.gz DHVXNZHNXQWYLN-OCCSQVGLSA-N 2 2 267.373 0.494 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@]2(CNC(=O)C2)C1)C1CC1 ZINC000329813210 389203492 /nfs/dbraw/zinc/20/34/92/389203492.db2.gz DHVXNZHNXQWYLN-OCCSQVGLSA-N 2 2 267.373 0.494 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@]2(CNC(=O)C2)C1)C1CC1 ZINC000329813210 389203494 /nfs/dbraw/zinc/20/34/94/389203494.db2.gz DHVXNZHNXQWYLN-OCCSQVGLSA-N 2 2 267.373 0.494 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@]2(CNC(=O)C2)C1)C1CC1 ZINC000329813210 389203497 /nfs/dbraw/zinc/20/34/97/389203497.db2.gz DHVXNZHNXQWYLN-OCCSQVGLSA-N 2 2 267.373 0.494 20 0 CCADLP CCC[N@@H+](CC(=O)NC)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000227800247 389152136 /nfs/dbraw/zinc/15/21/36/389152136.db2.gz ISIHILQXMURWJY-GJZGRUSLSA-N 2 2 293.411 0.375 20 0 CCADLP CCC[N@H+](CC(=O)NC)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000227800247 389152139 /nfs/dbraw/zinc/15/21/39/389152139.db2.gz ISIHILQXMURWJY-GJZGRUSLSA-N 2 2 293.411 0.375 20 0 CCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000359473948 389174555 /nfs/dbraw/zinc/17/45/55/389174555.db2.gz FWBRLPIIQKIOLF-CYBMUJFWSA-N 2 2 278.356 0.335 20 0 CCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000359473948 389174557 /nfs/dbraw/zinc/17/45/57/389174557.db2.gz FWBRLPIIQKIOLF-CYBMUJFWSA-N 2 2 278.356 0.335 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000362906229 389243612 /nfs/dbraw/zinc/24/36/12/389243612.db2.gz WARSQHCDAFJCBP-VWYCJHECSA-N 2 2 262.357 0.581 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000362906229 389243613 /nfs/dbraw/zinc/24/36/13/389243613.db2.gz WARSQHCDAFJCBP-VWYCJHECSA-N 2 2 262.357 0.581 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000362906229 389243614 /nfs/dbraw/zinc/24/36/14/389243614.db2.gz WARSQHCDAFJCBP-VWYCJHECSA-N 2 2 262.357 0.581 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000362906229 389243615 /nfs/dbraw/zinc/24/36/15/389243615.db2.gz WARSQHCDAFJCBP-VWYCJHECSA-N 2 2 262.357 0.581 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248141071 389244611 /nfs/dbraw/zinc/24/46/11/389244611.db2.gz PQHYNWWLWZDKDV-TUAOUCFPSA-N 2 2 282.388 0.247 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248141071 389244614 /nfs/dbraw/zinc/24/46/14/389244614.db2.gz PQHYNWWLWZDKDV-TUAOUCFPSA-N 2 2 282.388 0.247 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248141071 389244617 /nfs/dbraw/zinc/24/46/17/389244617.db2.gz PQHYNWWLWZDKDV-TUAOUCFPSA-N 2 2 282.388 0.247 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248141071 389244619 /nfs/dbraw/zinc/24/46/19/389244619.db2.gz PQHYNWWLWZDKDV-TUAOUCFPSA-N 2 2 282.388 0.247 20 0 CCADLP COCCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364205231 389257543 /nfs/dbraw/zinc/25/75/43/389257543.db2.gz GASKFFKTHGBZPL-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP COCCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364205231 389257544 /nfs/dbraw/zinc/25/75/44/389257544.db2.gz GASKFFKTHGBZPL-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364425889 389263852 /nfs/dbraw/zinc/26/38/52/389263852.db2.gz PIPVYOOSBMNKQM-NEPJUHHUSA-N 2 2 264.373 0.902 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCC[C@@H]2C(N)=O)CC[N@@H+]1C ZINC000361221000 389210083 /nfs/dbraw/zinc/21/00/83/389210083.db2.gz PWHACXQJIZPFFV-HZSPNIEDSA-N 3 2 282.432 0.399 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCC[C@@H]2C(N)=O)CC[N@H+]1C ZINC000361221000 389210085 /nfs/dbraw/zinc/21/00/85/389210085.db2.gz PWHACXQJIZPFFV-HZSPNIEDSA-N 3 2 282.432 0.399 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)CC[NH+]1C ZINC000361221000 389210086 /nfs/dbraw/zinc/21/00/86/389210086.db2.gz PWHACXQJIZPFFV-HZSPNIEDSA-N 3 2 282.432 0.399 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)CC[NH+]1C ZINC000361221000 389210087 /nfs/dbraw/zinc/21/00/87/389210087.db2.gz PWHACXQJIZPFFV-HZSPNIEDSA-N 3 2 282.432 0.399 20 0 CCADLP CC[C@H](COC)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000361220587 389210434 /nfs/dbraw/zinc/21/04/34/389210434.db2.gz MYNWZCJJEPGRFX-NEPJUHHUSA-N 2 2 257.378 0.341 20 0 CCADLP CC[C@H](COC)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000361220587 389210437 /nfs/dbraw/zinc/21/04/37/389210437.db2.gz MYNWZCJJEPGRFX-NEPJUHHUSA-N 2 2 257.378 0.341 20 0 CCADLP COc1c[nH+]ccc1N1CC[NH+](CC(=O)N2CCC2)CC1 ZINC000361529423 389218877 /nfs/dbraw/zinc/21/88/77/389218877.db2.gz FBNYPZFVFRCYGR-UHFFFAOYSA-N 2 2 290.367 0.445 20 0 CCADLP COC(=O)[C@H]1CCC[N@H+](CCn2cc[nH+]c2)[C@@H]1C(=O)OC ZINC000133045179 389230762 /nfs/dbraw/zinc/23/07/62/389230762.db2.gz KUACBDKMAWSAAD-RYUDHWBXSA-N 2 2 295.339 0.310 20 0 CCADLP C[C@H](O)[C@H]1CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000362277303 389233408 /nfs/dbraw/zinc/23/34/08/389233408.db2.gz JSFCPMCUEYOSPF-QWRGUYRKSA-N 2 2 252.362 0.689 20 0 CCADLP C[C@H](O)[C@H]1CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000362277303 389233411 /nfs/dbraw/zinc/23/34/11/389233411.db2.gz JSFCPMCUEYOSPF-QWRGUYRKSA-N 2 2 252.362 0.689 20 0 CCADLP C[C@H](CCS(C)(=O)=O)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247037255 389235082 /nfs/dbraw/zinc/23/50/82/389235082.db2.gz LOCMLJVAUQHJBN-WOPDTQHZSA-N 2 2 262.419 0.882 20 0 CCADLP C[C@H](CCS(C)(=O)=O)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247037255 389235083 /nfs/dbraw/zinc/23/50/83/389235083.db2.gz LOCMLJVAUQHJBN-WOPDTQHZSA-N 2 2 262.419 0.882 20 0 CCADLP CC(C)OCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000362710988 389239742 /nfs/dbraw/zinc/23/97/42/389239742.db2.gz MWHUMYQHVWAOAB-ZDUSSCGKSA-N 2 2 283.416 0.696 20 0 CCADLP CC(C)OCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000362710988 389239745 /nfs/dbraw/zinc/23/97/45/389239745.db2.gz MWHUMYQHVWAOAB-ZDUSSCGKSA-N 2 2 283.416 0.696 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000366812174 389310695 /nfs/dbraw/zinc/31/06/95/389310695.db2.gz SMDRWRTYHMLFOU-RDBSUJKOSA-N 2 2 281.400 0.450 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000366812174 389310700 /nfs/dbraw/zinc/31/07/00/389310700.db2.gz SMDRWRTYHMLFOU-RDBSUJKOSA-N 2 2 281.400 0.450 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000366812174 389310701 /nfs/dbraw/zinc/31/07/01/389310701.db2.gz SMDRWRTYHMLFOU-RDBSUJKOSA-N 2 2 281.400 0.450 20 0 CCADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000366812174 389310706 /nfs/dbraw/zinc/31/07/06/389310706.db2.gz SMDRWRTYHMLFOU-RDBSUJKOSA-N 2 2 281.400 0.450 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+](CC(=O)NC(C)C)CC2)c1 ZINC000264181430 389310826 /nfs/dbraw/zinc/31/08/26/389310826.db2.gz KHLJFJIPVLQPQW-UHFFFAOYSA-N 2 2 292.383 0.737 20 0 CCADLP CC[NH+]1CCN(C(=O)NCc2[nH+]ccn2C)CC1 ZINC000264217476 389313040 /nfs/dbraw/zinc/31/30/40/389313040.db2.gz SZJNBLWNRRNGPS-UHFFFAOYSA-N 2 2 251.334 0.267 20 0 CCADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000332152753 389344570 /nfs/dbraw/zinc/34/45/70/389344570.db2.gz QQPNPMJZAWRQRN-XQQFMLRXSA-N 2 2 289.383 0.791 20 0 CCADLP CC[N@@H+]1CCCN(CC[NH+]2CCO[C@@H](C)C2)CC1 ZINC000367067357 389317805 /nfs/dbraw/zinc/31/78/05/389317805.db2.gz QXIYQDJVVHJWGT-AWEZNQCLSA-N 2 2 255.406 0.735 20 0 CCADLP CC[N@H+]1CCCN(CC[NH+]2CCO[C@@H](C)C2)CC1 ZINC000367067357 389317807 /nfs/dbraw/zinc/31/78/07/389317807.db2.gz QXIYQDJVVHJWGT-AWEZNQCLSA-N 2 2 255.406 0.735 20 0 CCADLP CC[NH+]1CCCN(CC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000367067357 389317809 /nfs/dbraw/zinc/31/78/09/389317809.db2.gz QXIYQDJVVHJWGT-AWEZNQCLSA-N 2 2 255.406 0.735 20 0 CCADLP CC[NH+]1CCCN(CC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000367067357 389317811 /nfs/dbraw/zinc/31/78/11/389317811.db2.gz QXIYQDJVVHJWGT-AWEZNQCLSA-N 2 2 255.406 0.735 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000264283799 389318131 /nfs/dbraw/zinc/31/81/31/389318131.db2.gz KEYHSILRWWJDHZ-UHFFFAOYSA-N 2 2 277.372 0.681 20 0 CCADLP CCN(CCC[NH+]1CCCC1)C(=O)[C@H]1COCC[N@@H+]1C ZINC000346578175 389332733 /nfs/dbraw/zinc/33/27/33/389332733.db2.gz WUAWPOQDGFSZOT-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP CCN(CCC[NH+]1CCCC1)C(=O)[C@H]1COCC[N@H+]1C ZINC000346578175 389332737 /nfs/dbraw/zinc/33/27/37/389332737.db2.gz WUAWPOQDGFSZOT-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP COc1ccc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cn1 ZINC000158111537 389336119 /nfs/dbraw/zinc/33/61/19/389336119.db2.gz DGJCDNBJLJFSCF-CYBMUJFWSA-N 2 2 264.373 0.426 20 0 CCADLP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cn1 ZINC000158111537 389336120 /nfs/dbraw/zinc/33/61/20/389336120.db2.gz DGJCDNBJLJFSCF-CYBMUJFWSA-N 2 2 264.373 0.426 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]C[C@]2(CCO)CCOC2)[C@@H](C)C1 ZINC000344787982 389285013 /nfs/dbraw/zinc/28/50/13/389285013.db2.gz JBHIIEZYJZCYKM-IHRRRGAJSA-N 2 2 256.390 0.705 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]C[C@]2(CCO)CCOC2)[C@@H](C)C1 ZINC000344787982 389285017 /nfs/dbraw/zinc/28/50/17/389285017.db2.gz JBHIIEZYJZCYKM-IHRRRGAJSA-N 2 2 256.390 0.705 20 0 CCADLP C[C@@H](C[NH3+])C(=O)NC1(c2noc(C[NH+](C)C)n2)CCCC1 ZINC000262418777 389286577 /nfs/dbraw/zinc/28/65/77/389286577.db2.gz RMPCXOXEOBOFAG-JTQLQIEISA-N 2 2 295.387 0.612 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000332801914 389374207 /nfs/dbraw/zinc/37/42/07/389374207.db2.gz ZRXVDZPXEYVPRL-NWDGAFQWSA-N 2 2 292.383 0.352 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000332801914 389374211 /nfs/dbraw/zinc/37/42/11/389374211.db2.gz ZRXVDZPXEYVPRL-NWDGAFQWSA-N 2 2 292.383 0.352 20 0 CCADLP O=C1OC[C@@H]2C[N@H+](CCCn3cc[nH+]c3)CCN12 ZINC000367766694 389357167 /nfs/dbraw/zinc/35/71/67/389357167.db2.gz DIFYKPPOVBVHME-NSHDSACASA-N 2 2 250.302 0.410 20 0 CCADLP O=C1OC[C@@H]2C[N@@H+](CCCn3cc[nH+]c3)CCN12 ZINC000367766694 389357169 /nfs/dbraw/zinc/35/71/69/389357169.db2.gz DIFYKPPOVBVHME-NSHDSACASA-N 2 2 250.302 0.410 20 0 CCADLP C[C@]1(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CCOC1 ZINC000422735388 389462688 /nfs/dbraw/zinc/46/26/88/389462688.db2.gz UPGQQBTXCKTYDB-BFHYXJOUSA-N 2 2 254.374 0.770 20 0 CCADLP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CCC[NH+](CC)CC ZINC000422734707 389462889 /nfs/dbraw/zinc/46/28/89/389462889.db2.gz SWRRCGIPEGKQEQ-STQMWFEESA-N 2 2 271.405 0.602 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1NCCC[NH+](CC)CC ZINC000422734707 389462892 /nfs/dbraw/zinc/46/28/92/389462892.db2.gz SWRRCGIPEGKQEQ-STQMWFEESA-N 2 2 271.405 0.602 20 0 CCADLP CS[C@H]1CN(Cc2c[nH+]cn2C)C[C@H]1[NH+](C)C ZINC000272067720 389463201 /nfs/dbraw/zinc/46/32/01/389463201.db2.gz TZDZFESSSOCBNX-NEPJUHHUSA-N 2 2 254.403 0.898 20 0 CCADLP C[N@@H+]1CC[C@H]2CCN(c3cc(-n4cccn4)nc(N)[nH+]3)[C@H]2C1 ZINC000272202089 389465540 /nfs/dbraw/zinc/46/55/40/389465540.db2.gz OSJMJQWLKSJOMJ-RYUDHWBXSA-N 2 2 299.382 0.775 20 0 CCADLP C[N@H+]1CC[C@H]2CCN(c3cc(-n4cccn4)nc(N)[nH+]3)[C@H]2C1 ZINC000272202089 389465546 /nfs/dbraw/zinc/46/55/46/389465546.db2.gz OSJMJQWLKSJOMJ-RYUDHWBXSA-N 2 2 299.382 0.775 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000422777522 389472411 /nfs/dbraw/zinc/47/24/11/389472411.db2.gz FQJUDEGDEVKCCT-NFAWXSAZSA-N 2 2 277.416 0.977 20 0 CCADLP CCC(CC)(C[NH3+])NC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000422819561 389481928 /nfs/dbraw/zinc/48/19/28/389481928.db2.gz NJIHIYCHOIVXTH-UHFFFAOYSA-N 2 2 286.420 0.077 20 0 CCADLP CCC(CC)(C[NH3+])NC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000422819561 389481932 /nfs/dbraw/zinc/48/19/32/389481932.db2.gz NJIHIYCHOIVXTH-UHFFFAOYSA-N 2 2 286.420 0.077 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@]1(N(C)C)CCSC1 ZINC000422822214 389482693 /nfs/dbraw/zinc/48/26/93/389482693.db2.gz JJSINHZMQPGFDW-HZSPNIEDSA-N 2 2 287.473 0.780 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@H](CC(C)C)[NH+](C)C ZINC000422821395 389482816 /nfs/dbraw/zinc/48/28/16/389482816.db2.gz VYBBGVASBJBSDA-MELADBBJSA-N 2 2 285.432 0.846 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000422854843 389492849 /nfs/dbraw/zinc/49/28/49/389492849.db2.gz DEKABTPFYSTYHJ-STQMWFEESA-N 2 2 298.431 0.077 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000422854843 389492852 /nfs/dbraw/zinc/49/28/52/389492852.db2.gz DEKABTPFYSTYHJ-STQMWFEESA-N 2 2 298.431 0.077 20 0 CCADLP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2ccncc2)C[C@@H]1C[NH3+] ZINC000422625467 389447943 /nfs/dbraw/zinc/44/79/43/389447943.db2.gz BTFWWMNIHPGYRC-UPJWGTAASA-N 2 2 276.384 0.747 20 0 CCADLP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2ccncc2)C[C@@H]1C[NH3+] ZINC000422625467 389447947 /nfs/dbraw/zinc/44/79/47/389447947.db2.gz BTFWWMNIHPGYRC-UPJWGTAASA-N 2 2 276.384 0.747 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)C1 ZINC000334051199 389454386 /nfs/dbraw/zinc/45/43/86/389454386.db2.gz RXSCHANNMWKAFZ-MJBXVCDLSA-N 2 2 298.431 0.489 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000422714090 389457785 /nfs/dbraw/zinc/45/77/85/389457785.db2.gz QRMOQSCYKCCMML-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000422714090 389457790 /nfs/dbraw/zinc/45/77/90/389457790.db2.gz QRMOQSCYKCCMML-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP C[NH2+][C@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000422718346 389459034 /nfs/dbraw/zinc/45/90/34/389459034.db2.gz WZURQLKCRBMWMA-KBPBESRZSA-N 2 2 281.400 0.308 20 0 CCADLP C[NH2+][C@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000422718346 389459038 /nfs/dbraw/zinc/45/90/38/389459038.db2.gz WZURQLKCRBMWMA-KBPBESRZSA-N 2 2 281.400 0.308 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000422727420 389459902 /nfs/dbraw/zinc/45/99/02/389459902.db2.gz HJYOLVMQYSOKDM-STQMWFEESA-N 2 2 269.389 0.356 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000422727420 389459904 /nfs/dbraw/zinc/45/99/04/389459904.db2.gz HJYOLVMQYSOKDM-STQMWFEESA-N 2 2 269.389 0.356 20 0 CCADLP FC(F)(F)COCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422928397 389506254 /nfs/dbraw/zinc/50/62/54/389506254.db2.gz KIUWYBSSQJUCJG-GHMZBOCLSA-N 2 2 282.306 0.922 20 0 CCADLP CCOCC[NH+]1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000173677529 389507681 /nfs/dbraw/zinc/50/76/81/389507681.db2.gz QEULVEQBPFUJMW-UHFFFAOYSA-N 2 2 285.432 0.363 20 0 CCADLP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000422975432 389513776 /nfs/dbraw/zinc/51/37/76/389513776.db2.gz GRCUIJRLXVHCBT-GJZGRUSLSA-N 3 2 269.433 0.811 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCOc1ncccc1F ZINC000422990849 389518037 /nfs/dbraw/zinc/51/80/37/389518037.db2.gz ACEIHZJQIUHNTR-RYUDHWBXSA-N 2 2 283.347 0.956 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@](C)(O)C(F)(F)F ZINC000423016107 389522391 /nfs/dbraw/zinc/52/23/91/389522391.db2.gz SINBWYGEOGLOPY-BBBLOLIVSA-N 2 2 270.295 0.656 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000276672604 389526608 /nfs/dbraw/zinc/52/66/08/389526608.db2.gz ZNWSINKRWGXZLU-LXYZTQFVSA-N 2 2 278.356 0.336 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1C ZINC000276672604 389526616 /nfs/dbraw/zinc/52/66/16/389526616.db2.gz ZNWSINKRWGXZLU-LXYZTQFVSA-N 2 2 278.356 0.336 20 0 CCADLP CCNC(=O)C1(C[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)CCC1 ZINC000423083859 389531123 /nfs/dbraw/zinc/53/11/23/389531123.db2.gz ZHHHKUJNFHWHSU-STQMWFEESA-N 2 2 283.416 0.649 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000423114635 389537510 /nfs/dbraw/zinc/53/75/10/389537510.db2.gz LXNALIOSNOSEHS-VOAKCMCISA-N 2 2 251.374 0.727 20 0 CCADLP C[C@@H](CNC(=O)NC(C)(C)C[NH+]1CCOCC1)[NH+](C)C ZINC000413594853 389537818 /nfs/dbraw/zinc/53/78/18/389537818.db2.gz NMXLEGRWPARXSR-LBPRGKRZSA-N 2 2 286.420 0.347 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1N[C@@H](C)C[N@H+](C)C(C)C ZINC000423122702 389538534 /nfs/dbraw/zinc/53/85/34/389538534.db2.gz KZQZTXNGAOZUDH-XQQFMLRXSA-N 2 2 271.405 0.598 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1N[C@@H](C)C[N@@H+](C)C(C)C ZINC000423122702 389538536 /nfs/dbraw/zinc/53/85/36/389538536.db2.gz KZQZTXNGAOZUDH-XQQFMLRXSA-N 2 2 271.405 0.598 20 0 CCADLP COc1ccc(C[NH2+]C2CC[NH2+]CC2)c(OC)n1 ZINC000423135240 389540515 /nfs/dbraw/zinc/54/05/15/389540515.db2.gz FTCALKSNQKKNEE-UHFFFAOYSA-N 2 2 251.330 0.940 20 0 CCADLP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000423147180 389544848 /nfs/dbraw/zinc/54/48/48/389544848.db2.gz RICVJSOIMZWWFU-KBPBESRZSA-N 3 2 257.422 0.940 20 0 CCADLP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000423147180 389544855 /nfs/dbraw/zinc/54/48/55/389544855.db2.gz RICVJSOIMZWWFU-KBPBESRZSA-N 3 2 257.422 0.940 20 0 CCADLP C[C@]1(F)C[NH2+]CCN(C(=O)c2ccc(C[NH3+])o2)C1 ZINC000335342632 389549694 /nfs/dbraw/zinc/54/96/94/389549694.db2.gz YERJCGZPOWNZGP-LBPRGKRZSA-N 2 2 255.293 0.512 20 0 CCADLP C[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000335347296 389549985 /nfs/dbraw/zinc/54/99/85/389549985.db2.gz GCPVASLNGBDYGE-NWDGAFQWSA-N 2 2 262.357 0.608 20 0 CCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000335347296 389549986 /nfs/dbraw/zinc/54/99/86/389549986.db2.gz GCPVASLNGBDYGE-NWDGAFQWSA-N 2 2 262.357 0.608 20 0 CCADLP CC[NH2+]CC[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000423233692 389555642 /nfs/dbraw/zinc/55/56/42/389555642.db2.gz KJFLSWTZXHFTIA-CQSZACIVSA-N 2 2 297.424 0.911 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1[NH2+]CCCC1(C)C)[NH+]1CCOCC1 ZINC000423317613 389564306 /nfs/dbraw/zinc/56/43/06/389564306.db2.gz CPOVECVWOUQMMF-QWHCGFSZSA-N 2 2 283.416 0.602 20 0 CCADLP CC[N@H+](CCNC(=O)CCc1[nH]cc[nH+]1)C1CC1 ZINC000279230134 389565647 /nfs/dbraw/zinc/56/56/47/389565647.db2.gz QBQHDPVXWDKKQI-UHFFFAOYSA-N 2 2 250.346 0.943 20 0 CCADLP CC[N@@H+](CCNC(=O)CCc1[nH]cc[nH+]1)C1CC1 ZINC000279230134 389565653 /nfs/dbraw/zinc/56/56/53/389565653.db2.gz QBQHDPVXWDKKQI-UHFFFAOYSA-N 2 2 250.346 0.943 20 0 CCADLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)[C@@H]1CCC[NH2+]1 ZINC000422890235 389500300 /nfs/dbraw/zinc/50/03/00/389500300.db2.gz ROWDTFAUEQAFAU-MELADBBJSA-N 3 2 282.432 0.446 20 0 CCADLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)[C@@H]1CCC[NH2+]1 ZINC000422890235 389500304 /nfs/dbraw/zinc/50/03/04/389500304.db2.gz ROWDTFAUEQAFAU-MELADBBJSA-N 3 2 282.432 0.446 20 0 CCADLP CCCC[C@@H](C[NH3+])NC(=O)C[N@H+](C)CC(=O)NC(C)C ZINC000422896399 389500896 /nfs/dbraw/zinc/50/08/96/389500896.db2.gz AAQIKSUUDNLANN-LBPRGKRZSA-N 2 2 286.420 0.077 20 0 CCADLP CCCC[C@@H](C[NH3+])NC(=O)C[N@@H+](C)CC(=O)NC(C)C ZINC000422896399 389500901 /nfs/dbraw/zinc/50/09/01/389500901.db2.gz AAQIKSUUDNLANN-LBPRGKRZSA-N 2 2 286.420 0.077 20 0 CCADLP CC(C)[C@@H](C[NH3+])C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000423761118 389608891 /nfs/dbraw/zinc/60/88/91/389608891.db2.gz RBYPUFXXSXRDLN-CHWSQXEVSA-N 2 2 269.389 0.197 20 0 CCADLP CC(C)[C@@H](C[NH3+])C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000423761118 389608896 /nfs/dbraw/zinc/60/88/96/389608896.db2.gz RBYPUFXXSXRDLN-CHWSQXEVSA-N 2 2 269.389 0.197 20 0 CCADLP COc1ccsc1C[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414969834 389648952 /nfs/dbraw/zinc/64/89/52/389648952.db2.gz UFWZQCRRVKZIOA-JTQLQIEISA-N 2 2 255.387 0.750 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C(C)(C)C1 ZINC000335945862 389618059 /nfs/dbraw/zinc/61/80/59/389618059.db2.gz HZSHNFZLFTZRBZ-GFCCVEGCSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C(C)(C)C1 ZINC000335945862 389618063 /nfs/dbraw/zinc/61/80/63/389618063.db2.gz HZSHNFZLFTZRBZ-GFCCVEGCSA-N 2 2 253.390 0.881 20 0 CCADLP CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000414699811 389628211 /nfs/dbraw/zinc/62/82/11/389628211.db2.gz FLXGPLAJWYXTCA-UHFFFAOYSA-N 2 2 290.367 0.248 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000414767126 389636432 /nfs/dbraw/zinc/63/64/32/389636432.db2.gz SEKWIFFDWATANL-KBPBESRZSA-N 3 2 284.448 0.679 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000414767126 389636435 /nfs/dbraw/zinc/63/64/35/389636435.db2.gz SEKWIFFDWATANL-KBPBESRZSA-N 3 2 284.448 0.679 20 0 CCADLP c1ccc(N2CCOCC2)c(C[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000414864731 389641437 /nfs/dbraw/zinc/64/14/37/389641437.db2.gz CBFAKBFUTSHVKH-CQSZACIVSA-N 2 2 261.369 0.975 20 0 CCADLP COC(=O)c1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)[nH]1 ZINC000414929124 389644621 /nfs/dbraw/zinc/64/46/21/389644621.db2.gz NQWXPPMIMMLDIP-BXKDBHETSA-N 2 2 251.330 0.889 20 0 CCADLP C(C[C@H]1CCC[NH2+]1)[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423356225 389572992 /nfs/dbraw/zinc/57/29/92/389572992.db2.gz JPMYFOLHHYLHSC-RDBSUJKOSA-N 3 2 253.390 0.485 20 0 CCADLP Cc1nn(C)cc1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177153227 389573493 /nfs/dbraw/zinc/57/34/93/389573493.db2.gz GLLBCXGXVWVAJD-UHFFFAOYSA-N 2 2 293.415 0.484 20 0 CCADLP CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@H]1CCC[N@H+](C)C1 ZINC000335548439 389574235 /nfs/dbraw/zinc/57/42/35/389574235.db2.gz OJKIXCSWWPIWPP-OCCSQVGLSA-N 2 2 276.384 0.998 20 0 CCADLP CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@H]1CCC[N@@H+](C)C1 ZINC000335548439 389574237 /nfs/dbraw/zinc/57/42/37/389574237.db2.gz OJKIXCSWWPIWPP-OCCSQVGLSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335549160 389574693 /nfs/dbraw/zinc/57/46/93/389574693.db2.gz RIPKEUUMJSPGOQ-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335549163 389574732 /nfs/dbraw/zinc/57/47/32/389574732.db2.gz RIPKEUUMJSPGOQ-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP C[C@H]1CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@H]1O ZINC000425382090 389645490 /nfs/dbraw/zinc/64/54/90/389645490.db2.gz NOIRBGFUPATCOC-CMPLNLGQSA-N 2 2 252.362 0.689 20 0 CCADLP C[C@H]1CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@H]1O ZINC000425382090 389645491 /nfs/dbraw/zinc/64/54/91/389645491.db2.gz NOIRBGFUPATCOC-CMPLNLGQSA-N 2 2 252.362 0.689 20 0 CCADLP CC1CC[NH+](CC(=O)NC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000413962753 389587116 /nfs/dbraw/zinc/58/71/16/389587116.db2.gz WCWCLCAQRJAHNJ-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351480926 389587968 /nfs/dbraw/zinc/58/79/68/389587968.db2.gz WJMVDJLLHMJZBJ-YNEHKIRRSA-N 2 2 274.430 0.869 20 0 CCADLP CC(C)S(=O)(=O)CCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351480926 389587971 /nfs/dbraw/zinc/58/79/71/389587971.db2.gz WJMVDJLLHMJZBJ-YNEHKIRRSA-N 2 2 274.430 0.869 20 0 CCADLP C[C@@H](C[NH3+])CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000423469806 389590784 /nfs/dbraw/zinc/59/07/84/389590784.db2.gz YWHKNBRICFXFPN-AAEUAGOBSA-N 2 2 269.389 0.198 20 0 CCADLP C[C@@H](C[NH3+])CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000423469806 389590789 /nfs/dbraw/zinc/59/07/89/389590789.db2.gz YWHKNBRICFXFPN-AAEUAGOBSA-N 2 2 269.389 0.198 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000423580882 389602209 /nfs/dbraw/zinc/60/22/09/389602209.db2.gz AGLRNCXNSXUXCC-KGLIPLIRSA-N 2 2 283.416 0.746 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000423580882 389602213 /nfs/dbraw/zinc/60/22/13/389602213.db2.gz AGLRNCXNSXUXCC-KGLIPLIRSA-N 2 2 283.416 0.746 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC ZINC000423603002 389603274 /nfs/dbraw/zinc/60/32/74/389603274.db2.gz GQCGXRLDTZZDPC-CHWSQXEVSA-N 2 2 271.405 0.602 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC ZINC000423603002 389603277 /nfs/dbraw/zinc/60/32/77/389603277.db2.gz GQCGXRLDTZZDPC-CHWSQXEVSA-N 2 2 271.405 0.602 20 0 CCADLP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+][C@@H](C)C[NH3+] ZINC000414943488 389646618 /nfs/dbraw/zinc/64/66/18/389646618.db2.gz LXZHCNQBYYXVIW-JTQLQIEISA-N 2 2 282.388 0.888 20 0 CCADLP CCOC(=O)C[C@H](C)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000182620658 389712340 /nfs/dbraw/zinc/71/23/40/389712340.db2.gz RMLXUOJVGIXNBL-LBPRGKRZSA-N 2 2 285.388 0.034 20 0 CCADLP CCOC(=O)C[C@H](C)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000182620658 389712344 /nfs/dbraw/zinc/71/23/44/389712344.db2.gz RMLXUOJVGIXNBL-LBPRGKRZSA-N 2 2 285.388 0.034 20 0 CCADLP Cc1nc2ccccn2c1C[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414973408 389651230 /nfs/dbraw/zinc/65/12/30/389651230.db2.gz ZMSYZJMZOQMFFI-ZDUSSCGKSA-N 2 2 273.384 0.636 20 0 CCADLP C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)C[C@@H](O)C[NH3+] ZINC000415070876 389655327 /nfs/dbraw/zinc/65/53/27/389655327.db2.gz RKQLMSXRKAYHLT-ZDUSSCGKSA-N 2 2 260.341 0.828 20 0 CCADLP C[N@H+](Cc1cc(-c2ccccc2)n[nH]1)C[C@@H](O)C[NH3+] ZINC000415070876 389655331 /nfs/dbraw/zinc/65/53/31/389655331.db2.gz RKQLMSXRKAYHLT-ZDUSSCGKSA-N 2 2 260.341 0.828 20 0 CCADLP O=C1[C@@H]([NH2+][C@H]2CCC[NH2+]C2)CCCN1CC(F)(F)F ZINC000415086234 389657337 /nfs/dbraw/zinc/65/73/37/389657337.db2.gz RUVJTGTUUZOZKX-UWVGGRQHSA-N 2 2 279.306 0.881 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000351856774 389700241 /nfs/dbraw/zinc/70/02/41/389700241.db2.gz WFALLTMZMQWLAJ-VHSXEESVSA-N 2 2 250.346 0.914 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000351856774 389700245 /nfs/dbraw/zinc/70/02/45/389700245.db2.gz WFALLTMZMQWLAJ-VHSXEESVSA-N 2 2 250.346 0.914 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000351857221 389700384 /nfs/dbraw/zinc/70/03/84/389700384.db2.gz XAQDAZTWYKIZRK-HTQZYQBOSA-N 2 2 296.293 0.044 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000351857221 389700385 /nfs/dbraw/zinc/70/03/85/389700385.db2.gz XAQDAZTWYKIZRK-HTQZYQBOSA-N 2 2 296.293 0.044 20 0 CCADLP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000352103998 389753441 /nfs/dbraw/zinc/75/34/41/389753441.db2.gz AOHBNZSZEWOVMX-KGLIPLIRSA-N 2 2 285.432 0.990 20 0 CCADLP C[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H](C)CO1 ZINC000429671771 389764534 /nfs/dbraw/zinc/76/45/34/389764534.db2.gz PQCGDVSBAZOYCA-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H](C)CO1 ZINC000429671771 389764535 /nfs/dbraw/zinc/76/45/35/389764535.db2.gz PQCGDVSBAZOYCA-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CC(C)(CNC(=O)NC1CCC([NH3+])CC1)[NH+]1CCOCC1 ZINC000416816998 389773600 /nfs/dbraw/zinc/77/36/00/389773600.db2.gz JRKXXUPEELOQKG-UHFFFAOYSA-N 2 2 298.431 0.666 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)NCC(F)(F)C[NH3+])c1ccco1 ZINC000416820471 389773995 /nfs/dbraw/zinc/77/39/95/389773995.db2.gz UGOWUNMABPRQCC-VIFPVBQESA-N 2 2 290.314 0.776 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCCn1cc[nH+]c1 ZINC000416837733 389775439 /nfs/dbraw/zinc/77/54/39/389775439.db2.gz ARWPTVMWFCFKKW-QWRGUYRKSA-N 2 2 251.334 0.180 20 0 CCADLP CC(C)([NH3+])CNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000416875901 389778367 /nfs/dbraw/zinc/77/83/67/389778367.db2.gz UYQKTODCQYKISY-UHFFFAOYSA-N 2 2 261.329 0.871 20 0 CCADLP CC(C)NC(=O)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352250523 389779074 /nfs/dbraw/zinc/77/90/74/389779074.db2.gz IGQKUEGTEFXXKW-UHFFFAOYSA-N 2 2 270.402 0.819 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCOC(F)(F)F ZINC000398184943 389780525 /nfs/dbraw/zinc/78/05/25/389780525.db2.gz UKBYDMMOURHDNJ-BDAKNGLRSA-N 2 2 256.268 0.879 20 0 CCADLP CC(C)[C@](C)(CO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000398597646 389783640 /nfs/dbraw/zinc/78/36/40/389783640.db2.gz JNOZKPUIYAYPQG-ZDUSSCGKSA-N 2 2 254.378 0.983 20 0 CCADLP [NH3+][C@H](CNC(=O)NCCc1cn2ccccc2[nH+]1)C1CC1 ZINC000416952411 389783874 /nfs/dbraw/zinc/78/38/74/389783874.db2.gz ULNZUBVNPMRIRT-CYBMUJFWSA-N 2 2 287.367 0.913 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000417000634 389788449 /nfs/dbraw/zinc/78/84/49/389788449.db2.gz DGOGATJOYPMTOB-DGCLKSJQSA-N 2 2 291.399 0.945 20 0 CCADLP C[C@@H](C[NH3+])CNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000417011523 389789565 /nfs/dbraw/zinc/78/95/65/389789565.db2.gz SFZGEUWCUMJEHX-JTQLQIEISA-N 2 2 265.361 0.542 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000417014216 389789620 /nfs/dbraw/zinc/78/96/20/389789620.db2.gz ACYRXGZPYPDAMD-NEPJUHHUSA-N 2 2 272.393 0.004 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000417024124 389790618 /nfs/dbraw/zinc/79/06/18/389790618.db2.gz WXBKEMCCPFUODG-GFCCVEGCSA-N 2 2 277.372 0.699 20 0 CCADLP COCC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H]1CCO[C@@H]1C ZINC000352355603 389796134 /nfs/dbraw/zinc/79/61/34/389796134.db2.gz CYURCLLUUOMLGP-YUELXQCFSA-N 2 2 286.416 0.567 20 0 CCADLP COCC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H]1CCO[C@@H]1C ZINC000352355603 389796137 /nfs/dbraw/zinc/79/61/37/389796137.db2.gz CYURCLLUUOMLGP-YUELXQCFSA-N 2 2 286.416 0.567 20 0 CCADLP COCC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@H]1CCO[C@@H]1C ZINC000352355603 389796140 /nfs/dbraw/zinc/79/61/40/389796140.db2.gz CYURCLLUUOMLGP-YUELXQCFSA-N 2 2 286.416 0.567 20 0 CCADLP COCC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@H]1CCO[C@@H]1C ZINC000352355603 389796143 /nfs/dbraw/zinc/79/61/43/389796143.db2.gz CYURCLLUUOMLGP-YUELXQCFSA-N 2 2 286.416 0.567 20 0 CCADLP C[C@]1(CNC(=O)NCCCn2cc[nH+]c2)CCC[NH2+]C1 ZINC000416431426 389742105 /nfs/dbraw/zinc/74/21/05/389742105.db2.gz BBSYELPWHATDFZ-AWEZNQCLSA-N 2 2 279.388 0.962 20 0 CCADLP [NH3+]C[C@H]1CCCCN1C(=O)NCCCn1cc[nH+]c1 ZINC000416433319 389742496 /nfs/dbraw/zinc/74/24/96/389742496.db2.gz ONIYWXNCPNXVON-GFCCVEGCSA-N 2 2 265.361 0.796 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000352093901 389751508 /nfs/dbraw/zinc/75/15/08/389751508.db2.gz VJCSAXUNCKJCII-STQMWFEESA-N 2 2 291.461 0.682 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000352093901 389751511 /nfs/dbraw/zinc/75/15/11/389751511.db2.gz VJCSAXUNCKJCII-STQMWFEESA-N 2 2 291.461 0.682 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NCC2CCC2)C1 ZINC000430571011 389808549 /nfs/dbraw/zinc/80/85/49/389808549.db2.gz HLZSJUSCGCPNRT-DGCLKSJQSA-N 2 2 253.390 0.962 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC000430571011 389808550 /nfs/dbraw/zinc/80/85/50/389808550.db2.gz HLZSJUSCGCPNRT-DGCLKSJQSA-N 2 2 253.390 0.962 20 0 CCADLP C[N@H+](CC(=O)NCc1cccnc1)CC(C)(C)C[NH3+] ZINC000430574034 389809160 /nfs/dbraw/zinc/80/91/60/389809160.db2.gz SBUYOBWCKCTZQA-UHFFFAOYSA-N 2 2 264.373 0.615 20 0 CCADLP C[N@@H+](CC(=O)NCc1cccnc1)CC(C)(C)C[NH3+] ZINC000430574034 389809161 /nfs/dbraw/zinc/80/91/61/389809161.db2.gz SBUYOBWCKCTZQA-UHFFFAOYSA-N 2 2 264.373 0.615 20 0 CCADLP Cc1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)sn1 ZINC000404410544 389811123 /nfs/dbraw/zinc/81/11/23/389811123.db2.gz CFMBQTKJJJFFRO-LLVKDONJSA-N 2 2 255.387 0.998 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000430610721 389812860 /nfs/dbraw/zinc/81/28/60/389812860.db2.gz LNNIIFXROCXQKU-LBPRGKRZSA-N 2 2 257.378 0.071 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000430610721 389812863 /nfs/dbraw/zinc/81/28/63/389812863.db2.gz LNNIIFXROCXQKU-LBPRGKRZSA-N 2 2 257.378 0.071 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)n(C)n1 ZINC000430618783 389813478 /nfs/dbraw/zinc/81/34/78/389813478.db2.gz WXQDDZHDIWMOQL-NSHDSACASA-N 2 2 265.361 0.338 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)n(C)n1 ZINC000430618783 389813480 /nfs/dbraw/zinc/81/34/80/389813480.db2.gz WXQDDZHDIWMOQL-NSHDSACASA-N 2 2 265.361 0.338 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)NCC2CCC2)C1 ZINC000430642575 389815369 /nfs/dbraw/zinc/81/53/69/389815369.db2.gz PAPAQUTYZZCQCY-CYBMUJFWSA-N 2 2 253.390 0.834 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC000430642575 389815373 /nfs/dbraw/zinc/81/53/73/389815373.db2.gz PAPAQUTYZZCQCY-CYBMUJFWSA-N 2 2 253.390 0.834 20 0 CCADLP CNC(=O)[C@H](CCSC)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000352512350 389822840 /nfs/dbraw/zinc/82/28/40/389822840.db2.gz WWONDHKUHPLCBK-SRVKXCTJSA-N 2 2 273.446 0.926 20 0 CCADLP CNC(=O)[C@H](CCSC)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000352512350 389822843 /nfs/dbraw/zinc/82/28/43/389822843.db2.gz WWONDHKUHPLCBK-SRVKXCTJSA-N 2 2 273.446 0.926 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000430759306 389823170 /nfs/dbraw/zinc/82/31/70/389823170.db2.gz XPIWPPMXFSHUEM-ZDUSSCGKSA-N 2 2 292.383 0.532 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000430771158 389824550 /nfs/dbraw/zinc/82/45/50/389824550.db2.gz BPLLAFPVJVEBCD-GFCCVEGCSA-N 2 2 280.372 0.534 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000417516208 389825021 /nfs/dbraw/zinc/82/50/21/389825021.db2.gz GGAQMWGJNXOHTA-WOPDTQHZSA-N 2 2 272.393 0.132 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000417522521 389825996 /nfs/dbraw/zinc/82/59/96/389825996.db2.gz GQIZBPACDORUSQ-CHWSQXEVSA-N 2 2 284.404 0.230 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000417522521 389825999 /nfs/dbraw/zinc/82/59/99/389825999.db2.gz GQIZBPACDORUSQ-CHWSQXEVSA-N 2 2 284.404 0.230 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430919410 389835187 /nfs/dbraw/zinc/83/51/87/389835187.db2.gz KYKCTEZMBAPDGG-FVCCEPFGSA-N 2 2 269.389 0.339 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430919410 389835189 /nfs/dbraw/zinc/83/51/89/389835189.db2.gz KYKCTEZMBAPDGG-FVCCEPFGSA-N 2 2 269.389 0.339 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430919414 389835194 /nfs/dbraw/zinc/83/51/94/389835194.db2.gz KYKCTEZMBAPDGG-NDBYEHHHSA-N 2 2 269.389 0.339 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430919414 389835196 /nfs/dbraw/zinc/83/51/96/389835196.db2.gz KYKCTEZMBAPDGG-NDBYEHHHSA-N 2 2 269.389 0.339 20 0 CCADLP Cn1ccc(N2CCC[C@H]([N@@H+]3CC[C@H](C[NH3+])C3)C2=O)n1 ZINC000430929911 389835874 /nfs/dbraw/zinc/83/58/74/389835874.db2.gz XBBPNDCVVZDFRK-NEPJUHHUSA-N 2 2 277.372 0.196 20 0 CCADLP Cn1ccc(N2CCC[C@H]([N@H+]3CC[C@H](C[NH3+])C3)C2=O)n1 ZINC000430929911 389835877 /nfs/dbraw/zinc/83/58/77/389835877.db2.gz XBBPNDCVVZDFRK-NEPJUHHUSA-N 2 2 277.372 0.196 20 0 CCADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000430931233 389836831 /nfs/dbraw/zinc/83/68/31/389836831.db2.gz VXWMUBUWLHMUDJ-GFCCVEGCSA-N 2 2 291.351 0.312 20 0 CCADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000430931233 389836833 /nfs/dbraw/zinc/83/68/33/389836833.db2.gz VXWMUBUWLHMUDJ-GFCCVEGCSA-N 2 2 291.351 0.312 20 0 CCADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430939709 389837505 /nfs/dbraw/zinc/83/75/05/389837505.db2.gz MCKOXFABWKIHAZ-MNOVXSKESA-N 2 2 290.367 0.393 20 0 CCADLP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430939709 389837506 /nfs/dbraw/zinc/83/75/06/389837506.db2.gz MCKOXFABWKIHAZ-MNOVXSKESA-N 2 2 290.367 0.393 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000430937749 389837617 /nfs/dbraw/zinc/83/76/17/389837617.db2.gz DZTJCXGSIIWXRM-NSHDSACASA-N 2 2 265.401 0.833 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000430937749 389837618 /nfs/dbraw/zinc/83/76/18/389837618.db2.gz DZTJCXGSIIWXRM-NSHDSACASA-N 2 2 265.401 0.833 20 0 CCADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)NC(=O)Nc2ccccc2)C1 ZINC000430958642 389839962 /nfs/dbraw/zinc/83/99/62/389839962.db2.gz UAXOVWUVCQPOTC-LLVKDONJSA-N 2 2 276.340 0.615 20 0 CCADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)NC(=O)Nc2ccccc2)C1 ZINC000430958642 389839964 /nfs/dbraw/zinc/83/99/64/389839964.db2.gz UAXOVWUVCQPOTC-LLVKDONJSA-N 2 2 276.340 0.615 20 0 CCADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)NCC2CCCCC2)C1 ZINC000430956911 389840028 /nfs/dbraw/zinc/84/00/28/389840028.db2.gz QMSBVOZQRVDHOA-ZDUSSCGKSA-N 2 2 253.390 0.964 20 0 CCADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)NCC2CCCCC2)C1 ZINC000430956911 389840031 /nfs/dbraw/zinc/84/00/31/389840031.db2.gz QMSBVOZQRVDHOA-ZDUSSCGKSA-N 2 2 253.390 0.964 20 0 CCADLP [NH3+]C[C@H]1CC[N@@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000430964804 389840843 /nfs/dbraw/zinc/84/08/43/389840843.db2.gz GKANWRNQZCFREQ-BDAKNGLRSA-N 2 2 265.279 0.430 20 0 CCADLP [NH3+]C[C@H]1CC[N@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000430964804 389840847 /nfs/dbraw/zinc/84/08/47/389840847.db2.gz GKANWRNQZCFREQ-BDAKNGLRSA-N 2 2 265.279 0.430 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H]1CSC[NH2+]1 ZINC000431018805 389844997 /nfs/dbraw/zinc/84/49/97/389844997.db2.gz JIVXUXGSYVRUDF-JMJZKYOTSA-N 2 2 255.387 0.248 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@H]1CSC[NH2+]1 ZINC000431018805 389844999 /nfs/dbraw/zinc/84/49/99/389844999.db2.gz JIVXUXGSYVRUDF-JMJZKYOTSA-N 2 2 255.387 0.248 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)[C@H]2CSC[NH2+]2)C[N@@H+]1C1CC1 ZINC000431022594 389845755 /nfs/dbraw/zinc/84/57/55/389845755.db2.gz DHPXBLOIYBFSIC-IQJOONFLSA-N 2 2 255.387 0.390 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)[C@H]2CSC[NH2+]2)C[N@H+]1C1CC1 ZINC000431022594 389845757 /nfs/dbraw/zinc/84/57/57/389845757.db2.gz DHPXBLOIYBFSIC-IQJOONFLSA-N 2 2 255.387 0.390 20 0 CCADLP O=C(C[C@H]1C[NH2+]CCO1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000431040536 389847537 /nfs/dbraw/zinc/84/75/37/389847537.db2.gz NHQKWIZOQWLGNU-LBPRGKRZSA-N 2 2 278.356 0.494 20 0 CCADLP COCCCNC(=O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431135085 389850801 /nfs/dbraw/zinc/85/08/01/389850801.db2.gz GEPFAKRQRLXTQU-AWEZNQCLSA-N 2 2 293.367 0.687 20 0 CCADLP COCCCNC(=O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000431135085 389850805 /nfs/dbraw/zinc/85/08/05/389850805.db2.gz GEPFAKRQRLXTQU-AWEZNQCLSA-N 2 2 293.367 0.687 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2[C@H]2CCCO2)C1 ZINC000353570375 389853414 /nfs/dbraw/zinc/85/34/14/389853414.db2.gz SIZJORIFARPETF-UTHRFFRBSA-N 2 2 295.427 0.742 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2[C@H]2CCCO2)C1 ZINC000353570375 389853417 /nfs/dbraw/zinc/85/34/17/389853417.db2.gz SIZJORIFARPETF-UTHRFFRBSA-N 2 2 295.427 0.742 20 0 CCADLP CO[C@@H](C)c1noc(C[N@@H+]2CCCN(C[C@H](C)[NH3+])CC2)n1 ZINC000442655685 389853765 /nfs/dbraw/zinc/85/37/65/389853765.db2.gz ZWRQRCOOPDZRIE-RYUDHWBXSA-N 2 2 297.403 0.632 20 0 CCADLP CO[C@@H](C)c1noc(C[N@H+]2CCCN(C[C@H](C)[NH3+])CC2)n1 ZINC000442655685 389853766 /nfs/dbraw/zinc/85/37/66/389853766.db2.gz ZWRQRCOOPDZRIE-RYUDHWBXSA-N 2 2 297.403 0.632 20 0 CCADLP Cc1cc(NC(=O)C2CC[NH+](C[C@@H](C)[NH3+])CC2)no1 ZINC000442664120 389854453 /nfs/dbraw/zinc/85/44/53/389854453.db2.gz LOGYIYUWFNSFRA-SECBINFHSA-N 2 2 266.345 0.403 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)N[C@H](C)C[NH3+])cn21 ZINC000418000446 389864031 /nfs/dbraw/zinc/86/40/31/389864031.db2.gz XERSHDAWRFGXQE-SECBINFHSA-N 2 2 261.329 0.789 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432438929 389881181 /nfs/dbraw/zinc/88/11/81/389881181.db2.gz DQSLBMPRECXISM-QWHCGFSZSA-N 2 2 292.445 0.510 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432438929 389881183 /nfs/dbraw/zinc/88/11/83/389881183.db2.gz DQSLBMPRECXISM-QWHCGFSZSA-N 2 2 292.445 0.510 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)c1coc(C[NH3+])c1 ZINC000444175797 389894879 /nfs/dbraw/zinc/89/48/79/389894879.db2.gz LZRKZOYWLDGFBZ-SNVBAGLBSA-N 2 2 267.329 0.189 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)c1coc(C[NH3+])c1 ZINC000444175797 389894882 /nfs/dbraw/zinc/89/48/82/389894882.db2.gz LZRKZOYWLDGFBZ-SNVBAGLBSA-N 2 2 267.329 0.189 20 0 CCADLP CC[N@H+](C)CCNc1nc(N[C@H]2CCCOC2)cc[nH+]1 ZINC000435344475 389955288 /nfs/dbraw/zinc/95/52/88/389955288.db2.gz VNCQYMUDQFJNQB-LBPRGKRZSA-N 2 2 279.388 0.853 20 0 CCADLP CC[N@@H+](C)CCNc1nc(N[C@H]2CCCOC2)cc[nH+]1 ZINC000435344475 389955290 /nfs/dbraw/zinc/95/52/90/389955290.db2.gz VNCQYMUDQFJNQB-LBPRGKRZSA-N 2 2 279.388 0.853 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC000447659018 389961725 /nfs/dbraw/zinc/96/17/25/389961725.db2.gz MJSFIAKUWVBPIT-ZDUSSCGKSA-N 2 2 283.416 0.507 20 0 CCADLP C[NH2+]CCC[N@@H+]1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000435873892 389964497 /nfs/dbraw/zinc/96/44/97/389964497.db2.gz GPUSQJPFBOHXMI-CQSZACIVSA-N 2 2 266.389 0.810 20 0 CCADLP C[NH2+]CCC[N@H+]1CCO[C@@H](Cn2nc(C)cc2C)C1 ZINC000435873892 389964498 /nfs/dbraw/zinc/96/44/98/389964498.db2.gz GPUSQJPFBOHXMI-CQSZACIVSA-N 2 2 266.389 0.810 20 0 CCADLP CC[NH+](CC)CCC[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000420268339 389975647 /nfs/dbraw/zinc/97/56/47/389975647.db2.gz GPWLXAMSPOHADO-UHFFFAOYSA-N 3 2 270.421 0.082 20 0 CCADLP CC[NH+](CC)CCC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000420268339 389975648 /nfs/dbraw/zinc/97/56/48/389975648.db2.gz GPWLXAMSPOHADO-UHFFFAOYSA-N 3 2 270.421 0.082 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000433396597 389912334 /nfs/dbraw/zinc/91/23/34/389912334.db2.gz FOZRUWMSWQBFBZ-NSHDSACASA-N 2 2 288.355 0.503 20 0 CCADLP C[C@@H](O)CNc1cc(N2CCC[C@@]3(CC[NH2+]C3)C2)nc[nH+]1 ZINC000420251463 389973475 /nfs/dbraw/zinc/97/34/75/389973475.db2.gz LPIPISLXJSPWIB-DOMZBBRYSA-N 2 2 291.399 0.849 20 0 CCADLP C[C@@H](O)CNc1cc(N2CCC[C@@]3(CC[NH2+]C3)C2)[nH+]cn1 ZINC000420251463 389973476 /nfs/dbraw/zinc/97/34/76/389973476.db2.gz LPIPISLXJSPWIB-DOMZBBRYSA-N 2 2 291.399 0.849 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434389303 389932349 /nfs/dbraw/zinc/93/23/49/389932349.db2.gz SNIQEKMOEHOPEC-UHFFFAOYSA-N 2 2 269.389 0.308 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000434389303 389932350 /nfs/dbraw/zinc/93/23/50/389932350.db2.gz SNIQEKMOEHOPEC-UHFFFAOYSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H]1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)[C@@H](C[NH3+])C1 ZINC000420255004 389973940 /nfs/dbraw/zinc/97/39/40/389973940.db2.gz FKUOWXAHKUDXEH-GHMZBOCLSA-N 2 2 287.371 0.638 20 0 CCADLP C[C@H]([NH3+])CCC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000434678192 389941051 /nfs/dbraw/zinc/94/10/51/389941051.db2.gz CWYQZAOMDDRVEJ-LBPRGKRZSA-N 2 2 279.388 0.192 20 0 CCADLP C[C@@H]([NH3+])CCC(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000434681643 389941487 /nfs/dbraw/zinc/94/14/87/389941487.db2.gz QOKCSTDGVZXZJI-SECBINFHSA-N 2 2 283.376 0.610 20 0 CCADLP CC[N@H+](CC(N)=O)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420913852 390037746 /nfs/dbraw/zinc/03/77/46/390037746.db2.gz BLCFNODGBGABCC-UHFFFAOYSA-N 2 2 291.395 0.826 20 0 CCADLP CC[N@@H+](CC(N)=O)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420913852 390037748 /nfs/dbraw/zinc/03/77/48/390037748.db2.gz BLCFNODGBGABCC-UHFFFAOYSA-N 2 2 291.395 0.826 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@H](CO)C[C@H](C)C2)CC1 ZINC000420945330 390039468 /nfs/dbraw/zinc/03/94/68/390039468.db2.gz ROQQYFHTGKKLQX-SOUVJXGZSA-N 2 2 297.443 0.489 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H](CO)C[C@H](C)C2)CC1 ZINC000420945330 390039470 /nfs/dbraw/zinc/03/94/70/390039470.db2.gz ROQQYFHTGKKLQX-SOUVJXGZSA-N 2 2 297.443 0.489 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCN1CCO[C@H](C)C1 ZINC000420278688 389976955 /nfs/dbraw/zinc/97/69/55/389976955.db2.gz WCIOKFZOZJMMDU-MCIONIFRSA-N 2 2 255.406 0.909 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCN1CCO[C@H](C)C1 ZINC000420278688 389976957 /nfs/dbraw/zinc/97/69/57/389976957.db2.gz WCIOKFZOZJMMDU-MCIONIFRSA-N 2 2 255.406 0.909 20 0 CCADLP C[N@H+](CC(=O)NC(=O)NCc1ccccc1)C1CC([NH3+])C1 ZINC000420330043 389984144 /nfs/dbraw/zinc/98/41/44/389984144.db2.gz LDJJSVJMJXJDHN-UHFFFAOYSA-N 2 2 290.367 0.434 20 0 CCADLP C[N@@H+](CC(=O)NC(=O)NCc1ccccc1)C1CC([NH3+])C1 ZINC000420330043 389984147 /nfs/dbraw/zinc/98/41/47/389984147.db2.gz LDJJSVJMJXJDHN-UHFFFAOYSA-N 2 2 290.367 0.434 20 0 CCADLP Cc1cc(NC(=O)N2CC[NH+](C[C@H](C)O)CC2)cc[nH+]1 ZINC000436817550 389985448 /nfs/dbraw/zinc/98/54/48/389985448.db2.gz BJOAPMNUIKIMNF-LBPRGKRZSA-N 2 2 278.356 0.342 20 0 CCADLP CCc1ccc(CNC(=O)C[N@H+](C)C[C@H](O)C[NH3+])s1 ZINC000420348815 389987634 /nfs/dbraw/zinc/98/76/34/389987634.db2.gz BBJLSANDOOASFF-SNVBAGLBSA-N 2 2 285.413 0.178 20 0 CCADLP CCc1ccc(CNC(=O)C[N@@H+](C)C[C@H](O)C[NH3+])s1 ZINC000420348815 389987636 /nfs/dbraw/zinc/98/76/36/389987636.db2.gz BBJLSANDOOASFF-SNVBAGLBSA-N 2 2 285.413 0.178 20 0 CCADLP C[N@@H+](CC(=O)N(C1CC1)C1CCCC1)C[C@@H](O)C[NH3+] ZINC000420355058 389990222 /nfs/dbraw/zinc/99/02/22/389990222.db2.gz PMTSBALBXALNES-ZDUSSCGKSA-N 2 2 269.389 0.171 20 0 CCADLP C[N@H+](CC(=O)N(C1CC1)C1CCCC1)C[C@@H](O)C[NH3+] ZINC000420355058 389990223 /nfs/dbraw/zinc/99/02/23/389990223.db2.gz PMTSBALBXALNES-ZDUSSCGKSA-N 2 2 269.389 0.171 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC000420365733 389992858 /nfs/dbraw/zinc/99/28/58/389992858.db2.gz LKUFVIHFIZLWGI-BZPMIXESSA-N 2 2 253.390 0.975 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000449442141 389993698 /nfs/dbraw/zinc/99/36/98/389993698.db2.gz JWIDNYKYBJLRSY-NQBHXWOUSA-N 2 2 289.445 0.387 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000449442141 389993699 /nfs/dbraw/zinc/99/36/99/389993699.db2.gz JWIDNYKYBJLRSY-NQBHXWOUSA-N 2 2 289.445 0.387 20 0 CCADLP CCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420372978 389993786 /nfs/dbraw/zinc/99/37/86/389993786.db2.gz MQPZTOALCXIQKX-OCCSQVGLSA-N 2 2 253.390 0.977 20 0 CCADLP CCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420372978 389993788 /nfs/dbraw/zinc/99/37/88/389993788.db2.gz MQPZTOALCXIQKX-OCCSQVGLSA-N 2 2 253.390 0.977 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@@H]1CC[NH2+]CC1(F)F)[NH+](C)C ZINC000449656390 389994988 /nfs/dbraw/zinc/99/49/88/389994988.db2.gz KQGDJQVQYYVCSY-WDEREUQCSA-N 2 2 277.359 0.934 20 0 CCADLP CC[C@@H](O)CC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000450564088 389997221 /nfs/dbraw/zinc/99/72/21/389997221.db2.gz UQRGDCZOGMWTTH-DZGCQCFKSA-N 2 2 297.443 0.774 20 0 CCADLP CC[C@@H](O)CC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000450564088 389997223 /nfs/dbraw/zinc/99/72/23/389997223.db2.gz UQRGDCZOGMWTTH-DZGCQCFKSA-N 2 2 297.443 0.774 20 0 CCADLP Cc1nc(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)nc(N(C)C)[nH+]1 ZINC000450782234 389998232 /nfs/dbraw/zinc/99/82/32/389998232.db2.gz WRDKENQLJXFEQH-WDEREUQCSA-N 2 2 262.361 0.386 20 0 CCADLP Cc1nc(N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)nc(N(C)C)[nH+]1 ZINC000450782234 389998233 /nfs/dbraw/zinc/99/82/33/389998233.db2.gz WRDKENQLJXFEQH-WDEREUQCSA-N 2 2 262.361 0.386 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000459395696 390073861 /nfs/dbraw/zinc/07/38/61/390073861.db2.gz COXOHRRFYLUFDX-ZDUSSCGKSA-N 2 2 250.346 0.693 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000459395696 390073862 /nfs/dbraw/zinc/07/38/62/390073862.db2.gz COXOHRRFYLUFDX-ZDUSSCGKSA-N 2 2 250.346 0.693 20 0 CCADLP Cc1nc(N2CC[NH+](C(C)C)CC2)nc(N(C)C)[nH+]1 ZINC000488395852 390093503 /nfs/dbraw/zinc/09/35/03/390093503.db2.gz JWLGWFJTHFITLH-UHFFFAOYSA-N 2 2 264.377 0.776 20 0 CCADLP Cc1nc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000488428692 390093969 /nfs/dbraw/zinc/09/39/69/390093969.db2.gz DCNDMCDZPJNPJE-MWLCHTKSSA-N 2 2 264.377 0.563 20 0 CCADLP Cc1nc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000488428692 390093970 /nfs/dbraw/zinc/09/39/70/390093970.db2.gz DCNDMCDZPJNPJE-MWLCHTKSSA-N 2 2 264.377 0.563 20 0 CCADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)/C=C/c3[nH]cc[nH+]3)C[C@H]21 ZINC000493144212 390119454 /nfs/dbraw/zinc/11/94/54/390119454.db2.gz CWSJHPARXPIKBV-JGLYPNHGSA-N 2 2 276.340 0.354 20 0 CCADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)/C=C/c3[nH]cc[nH+]3)C[C@H]21 ZINC000493144212 390119455 /nfs/dbraw/zinc/11/94/55/390119455.db2.gz CWSJHPARXPIKBV-JGLYPNHGSA-N 2 2 276.340 0.354 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000493150706 390119540 /nfs/dbraw/zinc/11/95/40/390119540.db2.gz IONQTOBVDOCKHH-IHVVCDCBSA-N 2 2 292.383 0.441 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000493150706 390119541 /nfs/dbraw/zinc/11/95/41/390119541.db2.gz IONQTOBVDOCKHH-IHVVCDCBSA-N 2 2 292.383 0.441 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(c2nc(C)[nH+]c(N(C)C)n2)CC1 ZINC000489948667 390102998 /nfs/dbraw/zinc/10/29/98/390102998.db2.gz JWHADECZFFRNLM-LBPRGKRZSA-N 2 2 294.403 0.139 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)Cn2cc[nH+]c2C)CCO1 ZINC000457770819 390049638 /nfs/dbraw/zinc/04/96/38/390049638.db2.gz VXENHXBUNDENIN-ZDUSSCGKSA-N 2 2 280.372 0.419 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)Cn2cc[nH+]c2C)CCO1 ZINC000457770819 390049639 /nfs/dbraw/zinc/04/96/39/390049639.db2.gz VXENHXBUNDENIN-ZDUSSCGKSA-N 2 2 280.372 0.419 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)NCC[NH+](C)C ZINC000458808031 390063852 /nfs/dbraw/zinc/06/38/52/390063852.db2.gz HHGWZBMQNQCCGD-UHFFFAOYSA-N 2 2 252.318 0.451 20 0 CCADLP Cn1c(C[N@H+](C)CCC[NH3+])nc2ccccc2c1=O ZINC000647847189 390191012 /nfs/dbraw/zinc/19/10/12/390191012.db2.gz FUIZMAGDLOLMRE-UHFFFAOYSA-N 2 2 260.341 0.714 20 0 CCADLP Cn1c(C[N@@H+](C)CCC[NH3+])nc2ccccc2c1=O ZINC000647847189 390191016 /nfs/dbraw/zinc/19/10/16/390191016.db2.gz FUIZMAGDLOLMRE-UHFFFAOYSA-N 2 2 260.341 0.714 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000493253950 390121628 /nfs/dbraw/zinc/12/16/28/390121628.db2.gz LNMHZFBYJPCTJE-JXLSXLBDSA-N 2 2 274.368 0.984 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000494142206 390153929 /nfs/dbraw/zinc/15/39/29/390153929.db2.gz OLQKJOOPZRPXAK-LLVKDONJSA-N 2 2 250.302 0.328 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000494142206 390153934 /nfs/dbraw/zinc/15/39/34/390153934.db2.gz OLQKJOOPZRPXAK-LLVKDONJSA-N 2 2 250.302 0.328 20 0 CCADLP CN(CC[NH+](C)C)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000494224849 390159724 /nfs/dbraw/zinc/15/97/24/390159724.db2.gz WCUVSMFLAAUMPI-ZDUSSCGKSA-N 2 2 284.404 0.053 20 0 CCADLP CN(CC[NH+](C)C)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000494224849 390159727 /nfs/dbraw/zinc/15/97/27/390159727.db2.gz WCUVSMFLAAUMPI-ZDUSSCGKSA-N 2 2 284.404 0.053 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000536537723 390163529 /nfs/dbraw/zinc/16/35/29/390163529.db2.gz SCXCXAXXQMEMKX-SNVBAGLBSA-N 2 2 268.386 0.474 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000536537723 390163532 /nfs/dbraw/zinc/16/35/32/390163532.db2.gz SCXCXAXXQMEMKX-SNVBAGLBSA-N 2 2 268.386 0.474 20 0 CCADLP CC[NH+](CC)CCNc1nc[nH+]c2c1OCCN2 ZINC000647844672 390190213 /nfs/dbraw/zinc/19/02/13/390190213.db2.gz QUYMNPKXALCOHO-UHFFFAOYSA-N 2 2 251.334 0.147 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CCO1 ZINC000579412970 390171121 /nfs/dbraw/zinc/17/11/21/390171121.db2.gz DWHFXCSTDXXTRH-MJBXVCDLSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CCO1 ZINC000579412970 390171127 /nfs/dbraw/zinc/17/11/27/390171127.db2.gz DWHFXCSTDXXTRH-MJBXVCDLSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCO1 ZINC000579412970 390171130 /nfs/dbraw/zinc/17/11/30/390171130.db2.gz DWHFXCSTDXXTRH-MJBXVCDLSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCO1 ZINC000579412970 390171134 /nfs/dbraw/zinc/17/11/34/390171134.db2.gz DWHFXCSTDXXTRH-MJBXVCDLSA-N 2 2 283.416 0.554 20 0 CCADLP COCCC[N@H+](C)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647785746 390171409 /nfs/dbraw/zinc/17/14/09/390171409.db2.gz DVCLQVBBNRUZFK-SOUVJXGZSA-N 3 2 269.433 0.932 20 0 CCADLP COCCC[N@@H+](C)CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647785746 390171412 /nfs/dbraw/zinc/17/14/12/390171412.db2.gz DVCLQVBBNRUZFK-SOUVJXGZSA-N 3 2 269.433 0.932 20 0 CCADLP CNC(=O)NC(=O)CC[N@@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000579714652 390202010 /nfs/dbraw/zinc/20/20/10/390202010.db2.gz JUYJSEZKOBHVBJ-CYBMUJFWSA-N 2 2 290.367 0.390 20 0 CCADLP CNC(=O)NC(=O)CC[N@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000579714652 390202011 /nfs/dbraw/zinc/20/20/11/390202011.db2.gz JUYJSEZKOBHVBJ-CYBMUJFWSA-N 2 2 290.367 0.390 20 0 CCADLP C[N@@H+](CC(=O)NCc1cccs1)C[C@H]1CC[NH2+]C1 ZINC000647885837 390208046 /nfs/dbraw/zinc/20/80/46/390208046.db2.gz WPSWEUJWTRBPHG-NSHDSACASA-N 2 2 267.398 0.906 20 0 CCADLP C[N@H+](CC(=O)NCc1cccs1)C[C@H]1CC[NH2+]C1 ZINC000647885837 390208049 /nfs/dbraw/zinc/20/80/49/390208049.db2.gz WPSWEUJWTRBPHG-NSHDSACASA-N 2 2 267.398 0.906 20 0 CCADLP CC(C)N1C(=O)C[N@H+](C[C@@H]2CC[NH2+]C2)CC1(C)C ZINC000647886085 390208058 /nfs/dbraw/zinc/20/80/58/390208058.db2.gz PQHAZFQDCWMYNQ-GFCCVEGCSA-N 2 2 253.390 0.927 20 0 CCADLP CC(C)N1C(=O)C[N@@H+](C[C@@H]2CC[NH2+]C2)CC1(C)C ZINC000647886085 390208061 /nfs/dbraw/zinc/20/80/61/390208061.db2.gz PQHAZFQDCWMYNQ-GFCCVEGCSA-N 2 2 253.390 0.927 20 0 CCADLP COc1ccc(F)cc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000579810026 390209744 /nfs/dbraw/zinc/20/97/44/390209744.db2.gz VOJOEGFENZDJTC-LLVKDONJSA-N 2 2 296.346 0.941 20 0 CCADLP COc1ccc(F)cc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000579810026 390209748 /nfs/dbraw/zinc/20/97/48/390209748.db2.gz VOJOEGFENZDJTC-LLVKDONJSA-N 2 2 296.346 0.941 20 0 CCADLP CC[C@@H]1C[N@H+](CCCCS(C)(=O)=O)CC[C@@H]1[NH3+] ZINC000647936620 390223238 /nfs/dbraw/zinc/22/32/38/390223238.db2.gz IMMRIMQVHSCJEQ-NEPJUHHUSA-N 2 2 262.419 0.870 20 0 CCADLP CC[C@@H]1C[N@@H+](CCCCS(C)(=O)=O)CC[C@@H]1[NH3+] ZINC000647936620 390223239 /nfs/dbraw/zinc/22/32/39/390223239.db2.gz IMMRIMQVHSCJEQ-NEPJUHHUSA-N 2 2 262.419 0.870 20 0 CCADLP CCN1CC[N@H+](CCn2cc[nH+]c2C)[C@@H](C)C1=O ZINC000495193255 390223732 /nfs/dbraw/zinc/22/37/32/390223732.db2.gz MDPPMUZSVMDLEW-NSHDSACASA-N 2 2 250.346 0.744 20 0 CCADLP CCN1CC[N@@H+](CCn2cc[nH+]c2C)[C@@H](C)C1=O ZINC000495193255 390223734 /nfs/dbraw/zinc/22/37/34/390223734.db2.gz MDPPMUZSVMDLEW-NSHDSACASA-N 2 2 250.346 0.744 20 0 CCADLP [NH3+]CC[C@H]1CCC[N@H+](Cc2nnnn2CC(F)(F)F)C1 ZINC000647951755 390225232 /nfs/dbraw/zinc/22/52/32/390225232.db2.gz DIFOCZJSRWEWIO-SECBINFHSA-N 2 2 292.309 0.796 20 0 CCADLP [NH3+]CC[C@H]1CCC[N@@H+](Cc2nnnn2CC(F)(F)F)C1 ZINC000647951755 390225233 /nfs/dbraw/zinc/22/52/33/390225233.db2.gz DIFOCZJSRWEWIO-SECBINFHSA-N 2 2 292.309 0.796 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCCC(C)(F)F)[C@H](C[NH3+])C1 ZINC000580173616 390225220 /nfs/dbraw/zinc/22/52/20/390225220.db2.gz MMCHPTIPPJOPLL-SNVBAGLBSA-N 2 2 278.347 0.706 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCCC(C)(F)F)[C@H](C[NH3+])C1 ZINC000580173616 390225222 /nfs/dbraw/zinc/22/52/22/390225222.db2.gz MMCHPTIPPJOPLL-SNVBAGLBSA-N 2 2 278.347 0.706 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]Cc2ccoc2)C[C@H](C)O1 ZINC000580184499 390226575 /nfs/dbraw/zinc/22/65/75/390226575.db2.gz FBCUERPCPJTSRA-MBNYWOFBSA-N 2 2 268.357 0.839 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]Cc2ccoc2)C[C@H](C)O1 ZINC000580184499 390226579 /nfs/dbraw/zinc/22/65/79/390226579.db2.gz FBCUERPCPJTSRA-MBNYWOFBSA-N 2 2 268.357 0.839 20 0 CCADLP CN1CCC[C@H]([N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000540908027 390227788 /nfs/dbraw/zinc/22/77/88/390227788.db2.gz ANIFUUDECSGLQZ-KGLIPLIRSA-N 2 2 281.400 0.261 20 0 CCADLP CN1CCC[C@H]([N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000540908027 390227790 /nfs/dbraw/zinc/22/77/90/390227790.db2.gz ANIFUUDECSGLQZ-KGLIPLIRSA-N 2 2 281.400 0.261 20 0 CCADLP C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+](C)CCC[NH3+] ZINC000647849509 390192977 /nfs/dbraw/zinc/19/29/77/390192977.db2.gz VWJRSBYEXZNZJE-NSHDSACASA-N 2 2 290.367 0.641 20 0 CCADLP C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+](C)CCC[NH3+] ZINC000647849509 390192978 /nfs/dbraw/zinc/19/29/78/390192978.db2.gz VWJRSBYEXZNZJE-NSHDSACASA-N 2 2 290.367 0.641 20 0 CCADLP CC(=O)Nc1cccc(NC(=O)C[N@H+](C)CCC[NH3+])c1 ZINC000647850172 390193110 /nfs/dbraw/zinc/19/31/10/390193110.db2.gz UJCNJCQAXKIKFK-UHFFFAOYSA-N 2 2 278.356 0.864 20 0 CCADLP CC(=O)Nc1cccc(NC(=O)C[N@@H+](C)CCC[NH3+])c1 ZINC000647850172 390193113 /nfs/dbraw/zinc/19/31/13/390193113.db2.gz UJCNJCQAXKIKFK-UHFFFAOYSA-N 2 2 278.356 0.864 20 0 CCADLP CCOC[C@@H](O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000580325033 390238665 /nfs/dbraw/zinc/23/86/65/390238665.db2.gz JQWQSWLEDBESIL-NEPJUHHUSA-N 2 2 253.346 0.607 20 0 CCADLP CCOC[C@@H](O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000580325033 390238666 /nfs/dbraw/zinc/23/86/66/390238666.db2.gz JQWQSWLEDBESIL-NEPJUHHUSA-N 2 2 253.346 0.607 20 0 CCADLP c1cncc(C[NH+]2CCN(C[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000647988036 390239659 /nfs/dbraw/zinc/23/96/59/390239659.db2.gz HUAYHQUNIBQRHZ-OAHLLOKOSA-N 2 2 260.385 0.809 20 0 CCADLP c1cncc(CN2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000647988036 390239665 /nfs/dbraw/zinc/23/96/65/390239665.db2.gz HUAYHQUNIBQRHZ-OAHLLOKOSA-N 2 2 260.385 0.809 20 0 CCADLP O[C@H](C[NH2+]Cc1cccc2[nH+]ccn21)[C@@H]1CCCO1 ZINC000527759285 285366071 /nfs/dbraw/zinc/36/60/71/285366071.db2.gz SFBMCTDSYAVZIQ-OLZOCXBDSA-N 2 2 261.325 0.964 20 0 CCADLP COC1CC[NH+](CC[NH2+][C@H]2CCC(=O)NC2(C)C)CC1 ZINC000644536700 390248961 /nfs/dbraw/zinc/24/89/61/390248961.db2.gz JUKRLDVPYSQYJO-ZDUSSCGKSA-N 2 2 283.416 0.744 20 0 CCADLP C[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC000644548140 390250539 /nfs/dbraw/zinc/25/05/39/390250539.db2.gz QHPFBERCROQTAG-CHWSQXEVSA-N 2 2 272.389 0.227 20 0 CCADLP C[N@H+]1CCC[C@@H]([NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC000644548140 390250543 /nfs/dbraw/zinc/25/05/43/390250543.db2.gz QHPFBERCROQTAG-CHWSQXEVSA-N 2 2 272.389 0.227 20 0 CCADLP C[C@@H](C[NH2+]C[C@](C)(O)C(F)(F)F)C[NH+]1CCOCC1 ZINC000582057706 390255154 /nfs/dbraw/zinc/25/51/54/390255154.db2.gz BAWRLRQTZLMNQO-QWRGUYRKSA-N 2 2 284.322 0.858 20 0 CCADLP COCCOC[C@H](O)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000644589243 390260902 /nfs/dbraw/zinc/26/09/02/390260902.db2.gz KGYYDZMPGIVFOV-MRVWCRGKSA-N 2 2 272.389 0.083 20 0 CCADLP COCCOC[C@H](O)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000644589243 390260907 /nfs/dbraw/zinc/26/09/07/390260907.db2.gz KGYYDZMPGIVFOV-MRVWCRGKSA-N 2 2 272.389 0.083 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H](C[NH3+])c2ccccc2)CCO1 ZINC000582183392 390267240 /nfs/dbraw/zinc/26/72/40/390267240.db2.gz LLXQFZTTXPXSMV-HIFRSBDPSA-N 2 2 291.395 0.566 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H](C[NH3+])c2ccccc2)CCO1 ZINC000582183392 390267243 /nfs/dbraw/zinc/26/72/43/390267243.db2.gz LLXQFZTTXPXSMV-HIFRSBDPSA-N 2 2 291.395 0.566 20 0 CCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@H]1CCCCC[NH2+]1 ZINC000582231036 390270995 /nfs/dbraw/zinc/27/09/95/390270995.db2.gz CMGQKLATPPWKGL-WDEREUQCSA-N 2 2 275.343 0.880 20 0 CCADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1COCCOC1 ZINC000644652468 390276830 /nfs/dbraw/zinc/27/68/30/390276830.db2.gz POWQMZRCHGPEBG-INIZCTEOSA-N 2 2 294.395 0.484 20 0 CCADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1COCCOC1 ZINC000644652468 390276832 /nfs/dbraw/zinc/27/68/32/390276832.db2.gz POWQMZRCHGPEBG-INIZCTEOSA-N 2 2 294.395 0.484 20 0 CCADLP COc1cc(F)c(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1OC ZINC000583326565 390285071 /nfs/dbraw/zinc/28/50/71/390285071.db2.gz DXTLXDRCTWAQGC-HNNXBMFYSA-N 2 2 298.358 0.999 20 0 CCADLP COc1cc(F)c(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1OC ZINC000583326565 390285076 /nfs/dbraw/zinc/28/50/76/390285076.db2.gz DXTLXDRCTWAQGC-HNNXBMFYSA-N 2 2 298.358 0.999 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[NH+](C2CCOCC2)CC1 ZINC000583332466 390285961 /nfs/dbraw/zinc/28/59/61/390285961.db2.gz IUVVXMXFNULVLZ-UHFFFAOYSA-N 2 2 293.371 0.368 20 0 CCADLP CCC[C@H](C[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)OC ZINC000583495542 390287730 /nfs/dbraw/zinc/28/77/30/390287730.db2.gz KFQSSFKXUYKWDV-APIJFGDWSA-N 2 2 288.432 0.861 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000547283542 390365810 /nfs/dbraw/zinc/36/58/10/390365810.db2.gz UDAUFWUUUGOUJW-HNNXBMFYSA-N 3 2 267.417 0.517 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000547283542 390365813 /nfs/dbraw/zinc/36/58/13/390365813.db2.gz UDAUFWUUUGOUJW-HNNXBMFYSA-N 3 2 267.417 0.517 20 0 CCADLP C[C@H](CNC(=O)CCCn1cc[nH+]c1)C[NH+](C)C ZINC000644810734 390318654 /nfs/dbraw/zinc/31/86/54/390318654.db2.gz JHIXFZGRCMXNPK-GFCCVEGCSA-N 2 2 252.362 0.977 20 0 CCADLP C[N@@H+]1CC[C@](O)(CNc2nc(C3CC3)[nH+]c3c2CCC3)C1 ZINC000545873612 390333224 /nfs/dbraw/zinc/33/32/24/390333224.db2.gz DVSMKFUFIVFISJ-INIZCTEOSA-N 2 2 288.395 0.743 20 0 CCADLP C[N@H+]1CC[C@](O)(CNc2nc(C3CC3)[nH+]c3c2CCC3)C1 ZINC000545873612 390333227 /nfs/dbraw/zinc/33/32/27/390333227.db2.gz DVSMKFUFIVFISJ-INIZCTEOSA-N 2 2 288.395 0.743 20 0 CCADLP COCC[NH2+]C1CC[NH+]([C@H](C)C(=O)N(C)C(C)C)CC1 ZINC000584355947 390339444 /nfs/dbraw/zinc/33/94/44/390339444.db2.gz SCIILXXIINOFCC-CYBMUJFWSA-N 2 2 285.432 0.942 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCOC[C@H]2CCOC2)n1C ZINC000644902339 390342124 /nfs/dbraw/zinc/34/21/24/390342124.db2.gz SIEZUNWBXBGSSW-LBPRGKRZSA-N 2 2 282.388 0.629 20 0 CCADLP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)Cn1cc[nH+]c1 ZINC000584420007 390343082 /nfs/dbraw/zinc/34/30/82/390343082.db2.gz VUGBRVTWTWKWMI-QWHCGFSZSA-N 2 2 264.373 0.977 20 0 CCADLP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)Cn1cc[nH+]c1 ZINC000584420007 390343088 /nfs/dbraw/zinc/34/30/88/390343088.db2.gz VUGBRVTWTWKWMI-QWHCGFSZSA-N 2 2 264.373 0.977 20 0 CCADLP C[C@@H]1CCCC[C@H]1OCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000584468844 390347509 /nfs/dbraw/zinc/34/75/09/390347509.db2.gz VFDBWUWKYKIQGW-MGPQQGTHSA-N 2 2 283.416 0.683 20 0 CCADLP C[C@@H]1CCCC[C@H]1OCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000584468844 390347512 /nfs/dbraw/zinc/34/75/12/390347512.db2.gz VFDBWUWKYKIQGW-MGPQQGTHSA-N 2 2 283.416 0.683 20 0 CCADLP O[C@H](CNC[C@@H]1CCCC[N@@H+]1C1CC1)C[NH+]1CCOCC1 ZINC000584525614 390351726 /nfs/dbraw/zinc/35/17/26/390351726.db2.gz SSSKGSSQCIEHPD-JKSUJKDBSA-N 2 2 297.443 0.286 20 0 CCADLP O[C@H](CNC[C@@H]1CCCC[N@H+]1C1CC1)C[NH+]1CCOCC1 ZINC000584525614 390351730 /nfs/dbraw/zinc/35/17/30/390351730.db2.gz SSSKGSSQCIEHPD-JKSUJKDBSA-N 2 2 297.443 0.286 20 0 CCADLP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000496404766 390352026 /nfs/dbraw/zinc/35/20/26/390352026.db2.gz WLMPAYSBFMWCSB-MNOVXSKESA-N 2 2 255.362 0.805 20 0 CCADLP CC(C)(C)[NH2+]CC[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000496404766 390352032 /nfs/dbraw/zinc/35/20/32/390352032.db2.gz WLMPAYSBFMWCSB-MNOVXSKESA-N 2 2 255.362 0.805 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+]1CCOCC1 ZINC000648771034 390405468 /nfs/dbraw/zinc/40/54/68/390405468.db2.gz ADENNFQSHAHPST-REWJHTLYSA-N 2 2 283.416 0.552 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+]1CCOCC1 ZINC000648771034 390405470 /nfs/dbraw/zinc/40/54/70/390405470.db2.gz ADENNFQSHAHPST-REWJHTLYSA-N 2 2 283.416 0.552 20 0 CCADLP COC(C)(C)[C@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000645398906 390419840 /nfs/dbraw/zinc/41/98/40/390419840.db2.gz MHFBNGRGVXTUDW-NSHDSACASA-N 2 2 257.378 0.164 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)NCCCCn1cc[nH+]c1 ZINC000554370337 390425846 /nfs/dbraw/zinc/42/58/46/390425846.db2.gz XTYDBFWDGOWFTB-LBPRGKRZSA-N 2 2 267.377 0.913 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCC12CCOCC2 ZINC000554561056 390433539 /nfs/dbraw/zinc/43/35/39/390433539.db2.gz OERBVYNVSLXLMS-UONOGXRCSA-N 2 2 295.427 0.875 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCC12CCOCC2 ZINC000554561056 390433543 /nfs/dbraw/zinc/43/35/43/390433543.db2.gz OERBVYNVSLXLMS-UONOGXRCSA-N 2 2 295.427 0.875 20 0 CCADLP C[C@H]1CC[N@H+](C)CCN1C(=O)Cc1c[nH+]cn1C ZINC000554571719 390433852 /nfs/dbraw/zinc/43/38/52/390433852.db2.gz SMDZRXLYMVCJML-NSHDSACASA-N 2 2 250.346 0.515 20 0 CCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)Cc1c[nH+]cn1C ZINC000554571719 390433854 /nfs/dbraw/zinc/43/38/54/390433854.db2.gz SMDZRXLYMVCJML-NSHDSACASA-N 2 2 250.346 0.515 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)C1 ZINC000554579894 390434930 /nfs/dbraw/zinc/43/49/30/390434930.db2.gz QHLSAEZIRHSNDB-UONOGXRCSA-N 2 2 274.368 0.506 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)C1 ZINC000554579894 390434931 /nfs/dbraw/zinc/43/49/31/390434931.db2.gz QHLSAEZIRHSNDB-UONOGXRCSA-N 2 2 274.368 0.506 20 0 CCADLP Cn1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000602203326 390377624 /nfs/dbraw/zinc/37/76/24/390377624.db2.gz UYAHCIZFIKGPHC-LBPRGKRZSA-N 2 2 291.399 0.318 20 0 CCADLP Cn1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000602203326 390377627 /nfs/dbraw/zinc/37/76/27/390377627.db2.gz UYAHCIZFIKGPHC-LBPRGKRZSA-N 2 2 291.399 0.318 20 0 CCADLP COc1ccc[nH+]c1N1CCC([NH2+]CCO)CC1 ZINC000527940807 285371817 /nfs/dbraw/zinc/37/18/17/285371817.db2.gz CMNVAEGURUQEIG-UHFFFAOYSA-N 2 2 251.330 0.641 20 0 CCADLP C[C@H]1C[NH+](C/C=C\C[N@@H+]2CCO[C@@H](C)C2)CCO1 ZINC000645225279 390391924 /nfs/dbraw/zinc/39/19/24/390391924.db2.gz XBHHNCYVHWZQOA-NMEQGOOXSA-N 2 2 254.374 0.984 20 0 CCADLP C[C@H]1C[NH+](C/C=C\C[N@H+]2CCO[C@@H](C)C2)CCO1 ZINC000645225279 390391926 /nfs/dbraw/zinc/39/19/26/390391926.db2.gz XBHHNCYVHWZQOA-NMEQGOOXSA-N 2 2 254.374 0.984 20 0 CCADLP COC(=O)[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000547727275 390394041 /nfs/dbraw/zinc/39/40/41/390394041.db2.gz XOCLOIBWXCOMKZ-GWCFXTLKSA-N 2 2 263.341 0.987 20 0 CCADLP CCOC(=O)N1CC[C@H]([NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)C1 ZINC000496994197 390398784 /nfs/dbraw/zinc/39/87/84/390398784.db2.gz FUKXPONKKKRRED-FRRDWIJNSA-N 2 2 285.388 0.574 20 0 CCADLP [NH3+]CCOCC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000645813475 390501228 /nfs/dbraw/zinc/50/12/28/390501228.db2.gz UEULELRDTQNZSU-SNVBAGLBSA-N 2 2 252.318 0.439 20 0 CCADLP C[NH+]1CCC(CCNC(=O)[C@@H]([NH3+])c2cscn2)CC1 ZINC000645829405 390504933 /nfs/dbraw/zinc/50/49/33/390504933.db2.gz AESHKQODYIBSOW-LBPRGKRZSA-N 2 2 282.413 0.991 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000565421407 390512537 /nfs/dbraw/zinc/51/25/37/390512537.db2.gz XHARDRBDPOULMO-TUAOUCFPSA-N 2 2 272.393 0.132 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)CCCn1cc[nH+]c1 ZINC000555879600 390467506 /nfs/dbraw/zinc/46/75/06/390467506.db2.gz DGZOVOGHLHCOEQ-ZDUSSCGKSA-N 3 2 254.378 0.518 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCCn1cc[nH+]c1 ZINC000555879600 390467513 /nfs/dbraw/zinc/46/75/13/390467513.db2.gz DGZOVOGHLHCOEQ-ZDUSSCGKSA-N 3 2 254.378 0.518 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000555879600 390467516 /nfs/dbraw/zinc/46/75/16/390467516.db2.gz DGZOVOGHLHCOEQ-ZDUSSCGKSA-N 3 2 254.378 0.518 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000555879600 390467521 /nfs/dbraw/zinc/46/75/21/390467521.db2.gz DGZOVOGHLHCOEQ-ZDUSSCGKSA-N 3 2 254.378 0.518 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)CCCn1ccnc1 ZINC000555879600 390467525 /nfs/dbraw/zinc/46/75/25/390467525.db2.gz DGZOVOGHLHCOEQ-ZDUSSCGKSA-N 2 2 254.378 0.518 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCCn1ccnc1 ZINC000555879600 390467531 /nfs/dbraw/zinc/46/75/31/390467531.db2.gz DGZOVOGHLHCOEQ-ZDUSSCGKSA-N 2 2 254.378 0.518 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)CCCn1ccnc1 ZINC000555879600 390467535 /nfs/dbraw/zinc/46/75/35/390467535.db2.gz DGZOVOGHLHCOEQ-ZDUSSCGKSA-N 2 2 254.378 0.518 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCCn1ccnc1 ZINC000555879600 390467540 /nfs/dbraw/zinc/46/75/40/390467540.db2.gz DGZOVOGHLHCOEQ-ZDUSSCGKSA-N 2 2 254.378 0.518 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)NCCCCn1cc[nH+]c1 ZINC000516633996 390483632 /nfs/dbraw/zinc/48/36/32/390483632.db2.gz RBOKQBJXFATRDD-LBPRGKRZSA-N 2 2 267.377 0.946 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCC[NH+]1CCCCC1 ZINC000520616731 390586043 /nfs/dbraw/zinc/58/60/43/390586043.db2.gz QAQCBOJAGQZKPN-CQSZACIVSA-N 2 2 298.431 0.492 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCC[NH+]1CCCCC1 ZINC000520616731 390586046 /nfs/dbraw/zinc/58/60/46/390586046.db2.gz QAQCBOJAGQZKPN-CQSZACIVSA-N 2 2 298.431 0.492 20 0 CCADLP CCC[NH+]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000649210392 390524697 /nfs/dbraw/zinc/52/46/97/390524697.db2.gz OTNVLXDULXRQTR-CYBMUJFWSA-N 2 2 276.384 1.000 20 0 CCADLP O=C(NCC[N@@H+]1CCCOCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000649217027 390526060 /nfs/dbraw/zinc/52/60/60/390526060.db2.gz SMWIKKMVGXSLHM-ZDUSSCGKSA-N 2 2 292.383 0.284 20 0 CCADLP O=C(NCC[N@H+]1CCCOCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000649217027 390526064 /nfs/dbraw/zinc/52/60/64/390526064.db2.gz SMWIKKMVGXSLHM-ZDUSSCGKSA-N 2 2 292.383 0.284 20 0 CCADLP C[C@H]([C@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1)[NH+]1CCOCC1 ZINC000519706762 390532236 /nfs/dbraw/zinc/53/22/36/390532236.db2.gz OCNNPBORZXZYHC-UONOGXRCSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H]([C@H](C)NC(=O)C[N@H+]1CCC(C)(C)C1)[NH+]1CCOCC1 ZINC000519706762 390532241 /nfs/dbraw/zinc/53/22/41/390532241.db2.gz OCNNPBORZXZYHC-UONOGXRCSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000645944347 390541799 /nfs/dbraw/zinc/54/17/99/390541799.db2.gz JYGSQODZXRNKOB-OCCSQVGLSA-N 2 2 291.399 0.062 20 0 CCADLP c1c[nH+]c(N2CC[NH+](CCCN3CCOCC3)CC2)[nH]1 ZINC000565752410 390542033 /nfs/dbraw/zinc/54/20/33/390542033.db2.gz WLZYUQICYVFGAR-UHFFFAOYSA-N 2 2 279.388 0.254 20 0 CCADLP c1c[nH+]c(N2CCN(CCC[NH+]3CCOCC3)CC2)[nH]1 ZINC000565752410 390542038 /nfs/dbraw/zinc/54/20/38/390542038.db2.gz WLZYUQICYVFGAR-UHFFFAOYSA-N 2 2 279.388 0.254 20 0 CCADLP CC(C)[NH2+]CCC(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000645987421 390559720 /nfs/dbraw/zinc/55/97/20/390559720.db2.gz VMZJDMHORWBGPA-UHFFFAOYSA-N 2 2 279.388 0.442 20 0 CCADLP Cc1nc(N2CCN(C(=O)CC[C@H](C)[NH3+])CC2)cc[nH+]1 ZINC000565949225 390560472 /nfs/dbraw/zinc/56/04/72/390560472.db2.gz SCHLIYNRCGLCQH-NSHDSACASA-N 2 2 277.372 0.561 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2CCO[C@@H]2C2CC2)C[C@@H](C)O1 ZINC000566061594 390570796 /nfs/dbraw/zinc/57/07/96/390570796.db2.gz MPLKMHATDHGQFY-CCECPURYSA-N 2 2 298.427 0.614 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@@H]2CCO[C@H]2C2CC2)C[C@H](C)O1 ZINC000566061595 390571164 /nfs/dbraw/zinc/57/11/64/390571164.db2.gz MPLKMHATDHGQFY-IPQWEPCOSA-N 2 2 298.427 0.614 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@@H]2CCO[C@H]2C2CC2)C[C@H](C)O1 ZINC000566061595 390571170 /nfs/dbraw/zinc/57/11/70/390571170.db2.gz MPLKMHATDHGQFY-IPQWEPCOSA-N 2 2 298.427 0.614 20 0 CCADLP CC[N@H+](C)C[C@H](O)CN1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000566047483 390571399 /nfs/dbraw/zinc/57/13/99/390571399.db2.gz KHEGJJHUXSLPGJ-AWEZNQCLSA-N 2 2 293.415 0.220 20 0 CCADLP CC[N@@H+](C)C[C@H](O)CN1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000566047483 390571403 /nfs/dbraw/zinc/57/14/03/390571403.db2.gz KHEGJJHUXSLPGJ-AWEZNQCLSA-N 2 2 293.415 0.220 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000646022200 390573764 /nfs/dbraw/zinc/57/37/64/390573764.db2.gz KKNRFCNRIKFNSA-HNNXBMFYSA-N 2 2 294.399 0.268 20 0 CCADLP CCC[C@]1(CO)CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000520425109 390575205 /nfs/dbraw/zinc/57/52/05/390575205.db2.gz KWISZSJJBRNOKX-GJZGRUSLSA-N 2 2 288.432 0.410 20 0 CCADLP CCC[C@]1(CO)CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000520425109 390575207 /nfs/dbraw/zinc/57/52/07/390575207.db2.gz KWISZSJJBRNOKX-GJZGRUSLSA-N 2 2 288.432 0.410 20 0 CCADLP CCC[C@]1(CO)CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000520425109 390575210 /nfs/dbraw/zinc/57/52/10/390575210.db2.gz KWISZSJJBRNOKX-GJZGRUSLSA-N 2 2 288.432 0.410 20 0 CCADLP CCC[C@]1(CO)CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000520425109 390575211 /nfs/dbraw/zinc/57/52/11/390575211.db2.gz KWISZSJJBRNOKX-GJZGRUSLSA-N 2 2 288.432 0.410 20 0 CCADLP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000649319697 390577345 /nfs/dbraw/zinc/57/73/45/390577345.db2.gz RGGJYWCLUKLBBD-BYNSBNAKSA-N 2 2 293.411 0.165 20 0 CCADLP C[C@@H](C[NH3+])C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000646033741 390577731 /nfs/dbraw/zinc/57/77/31/390577731.db2.gz QIPPRJQJEDVDKP-NSHDSACASA-N 2 2 272.352 0.780 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000646194778 390630071 /nfs/dbraw/zinc/63/00/71/390630071.db2.gz QSTRBOVMPXRXGO-LPEHRKFASA-N 2 2 265.361 0.692 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000646194778 390630072 /nfs/dbraw/zinc/63/00/72/390630072.db2.gz QSTRBOVMPXRXGO-LPEHRKFASA-N 2 2 265.361 0.692 20 0 CCADLP O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CCc2[nH]c[nH+]c2C1 ZINC000646256912 390650605 /nfs/dbraw/zinc/65/06/05/390650605.db2.gz FIFODDYGJURFPG-ZDUSSCGKSA-N 2 2 260.341 0.921 20 0 CCADLP O=C([C@@H]1CCC[N@H+]1C1CC1)N1CCc2[nH]c[nH+]c2C1 ZINC000646256912 390650608 /nfs/dbraw/zinc/65/06/08/390650608.db2.gz FIFODDYGJURFPG-ZDUSSCGKSA-N 2 2 260.341 0.921 20 0 CCADLP O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CCc2[nH+]c[nH]c2C1 ZINC000646256912 390650611 /nfs/dbraw/zinc/65/06/11/390650611.db2.gz FIFODDYGJURFPG-ZDUSSCGKSA-N 2 2 260.341 0.921 20 0 CCADLP O=C([C@@H]1CCC[N@H+]1C1CC1)N1CCc2[nH+]c[nH]c2C1 ZINC000646256912 390650615 /nfs/dbraw/zinc/65/06/15/390650615.db2.gz FIFODDYGJURFPG-ZDUSSCGKSA-N 2 2 260.341 0.921 20 0 CCADLP O=C(C[C@H]1C[NH2+]CCO1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000646265401 390653508 /nfs/dbraw/zinc/65/35/08/390653508.db2.gz VVZHIXNXZFQABL-STQMWFEESA-N 2 2 290.367 0.155 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@]1(CO)CCOc2ccccc21 ZINC000566893764 390656064 /nfs/dbraw/zinc/65/60/64/390656064.db2.gz ZUKIVHWCROHQIG-CJNGLKHVSA-N 2 2 294.395 0.559 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@]1(CO)CCOc2ccccc21 ZINC000566893764 390656066 /nfs/dbraw/zinc/65/60/66/390656066.db2.gz ZUKIVHWCROHQIG-CJNGLKHVSA-N 2 2 294.395 0.559 20 0 CCADLP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000566893977 390657577 /nfs/dbraw/zinc/65/75/77/390657577.db2.gz LKNXANSHDCPILY-QWHCGFSZSA-N 2 2 276.384 0.904 20 0 CCADLP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000566893977 390657581 /nfs/dbraw/zinc/65/75/81/390657581.db2.gz LKNXANSHDCPILY-QWHCGFSZSA-N 2 2 276.384 0.904 20 0 CCADLP COC[C@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000262401954 285383922 /nfs/dbraw/zinc/38/39/22/285383922.db2.gz ZTCFYDBSFBCVDI-OCCSQVGLSA-N 2 2 292.383 0.261 20 0 CCADLP C[C@@H](CNC(=O)CCC(C)(C)[NH3+])[NH+]1CCN(C)CC1 ZINC000649352097 390603427 /nfs/dbraw/zinc/60/34/27/390603427.db2.gz QMNLBOKCRLEBEN-LBPRGKRZSA-N 2 2 270.421 0.256 20 0 CCADLP C[C@H](C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)[NH+]1CC(C)C1 ZINC000566444593 390608986 /nfs/dbraw/zinc/60/89/86/390608986.db2.gz IQZGPZMUTHFOLR-HUUCEWRRSA-N 2 2 295.427 0.650 20 0 CCADLP CC(C)CNC(=O)[C@@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000521527821 390609539 /nfs/dbraw/zinc/60/95/39/390609539.db2.gz MZRTXDCUSKIDPC-GFCCVEGCSA-N 2 2 279.388 0.692 20 0 CCADLP CC[NH+](CC)[C@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC000527485851 390705712 /nfs/dbraw/zinc/70/57/12/390705712.db2.gz YVFXIKXIUKFMGH-LLVKDONJSA-N 2 2 252.362 0.809 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)[C@H]([NH3+])c1cscn1 ZINC000646690448 390709523 /nfs/dbraw/zinc/70/95/23/390709523.db2.gz VSAHTNLZVITLNC-SNVBAGLBSA-N 2 2 256.375 0.647 20 0 CCADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(OC)nc2)C1 ZINC000527793011 390721653 /nfs/dbraw/zinc/72/16/53/390721653.db2.gz GTKCSGSRWMFPMN-CQSZACIVSA-N 2 2 279.384 0.943 20 0 CCADLP COCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(OC)nc2)C1 ZINC000527793011 390721656 /nfs/dbraw/zinc/72/16/56/390721656.db2.gz GTKCSGSRWMFPMN-CQSZACIVSA-N 2 2 279.384 0.943 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H](CO)c1ccc(OC)cc1 ZINC000570906794 390723414 /nfs/dbraw/zinc/72/34/14/390723414.db2.gz BRHYDNZPRZXYNX-GOEBONIOSA-N 2 2 296.411 0.973 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](CO)c1ccc(OC)cc1 ZINC000570906794 390723416 /nfs/dbraw/zinc/72/34/16/390723416.db2.gz BRHYDNZPRZXYNX-GOEBONIOSA-N 2 2 296.411 0.973 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H](CO)c1ccc(OC)cc1 ZINC000570906794 390723418 /nfs/dbraw/zinc/72/34/18/390723418.db2.gz BRHYDNZPRZXYNX-GOEBONIOSA-N 2 2 296.411 0.973 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](CO)c1ccc(OC)cc1 ZINC000570906794 390723421 /nfs/dbraw/zinc/72/34/21/390723421.db2.gz BRHYDNZPRZXYNX-GOEBONIOSA-N 2 2 296.411 0.973 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000567073707 390670313 /nfs/dbraw/zinc/67/03/13/390670313.db2.gz JGOMGWWFGKEYOU-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCN(C(=O)C(C)C)CC1 ZINC000567448452 390698818 /nfs/dbraw/zinc/69/88/18/390698818.db2.gz XYMGRADXLAVQBN-AWEZNQCLSA-N 2 2 285.432 0.489 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCN(C(=O)C(C)C)CC1 ZINC000567448452 390698819 /nfs/dbraw/zinc/69/88/19/390698819.db2.gz XYMGRADXLAVQBN-AWEZNQCLSA-N 2 2 285.432 0.489 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000567448452 390698821 /nfs/dbraw/zinc/69/88/21/390698821.db2.gz XYMGRADXLAVQBN-AWEZNQCLSA-N 2 2 285.432 0.489 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000567448452 390698822 /nfs/dbraw/zinc/69/88/22/390698822.db2.gz XYMGRADXLAVQBN-AWEZNQCLSA-N 2 2 285.432 0.489 20 0 CCADLP O=C(N[C@@H]1CCC[NH2+]CC1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000646986593 390753446 /nfs/dbraw/zinc/75/34/46/390753446.db2.gz KPOMATYOCNBHCO-UKRRQHHQSA-N 2 2 295.427 0.888 20 0 CCADLP O=C(N[C@@H]1CCC[NH2+]CC1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000646986593 390753450 /nfs/dbraw/zinc/75/34/50/390753450.db2.gz KPOMATYOCNBHCO-UKRRQHHQSA-N 2 2 295.427 0.888 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000571879639 390757131 /nfs/dbraw/zinc/75/71/31/390757131.db2.gz YPQUBLWWNHVIPG-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000571879639 390757133 /nfs/dbraw/zinc/75/71/33/390757133.db2.gz YPQUBLWWNHVIPG-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP CCC[N@H+](CC)CCNC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+] ZINC000571984126 390761861 /nfs/dbraw/zinc/76/18/61/390761861.db2.gz BTMQWGOTDOKGIV-ZDUSSCGKSA-N 3 2 285.436 0.003 20 0 CCADLP CCC[N@@H+](CC)CCNC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+] ZINC000571984126 390761863 /nfs/dbraw/zinc/76/18/63/390761863.db2.gz BTMQWGOTDOKGIV-ZDUSSCGKSA-N 3 2 285.436 0.003 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000647068048 390769200 /nfs/dbraw/zinc/76/92/00/390769200.db2.gz MESMDCCMFCJULY-RKDXNWHRSA-N 2 2 263.332 0.815 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NC(=O)NC1CC1 ZINC000572228838 390773042 /nfs/dbraw/zinc/77/30/42/390773042.db2.gz NSLHDVMDFJAJAC-AWEZNQCLSA-N 2 2 280.372 0.050 20 0 CCADLP O=C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NC(=O)NC1CC1 ZINC000572228838 390773044 /nfs/dbraw/zinc/77/30/44/390773044.db2.gz NSLHDVMDFJAJAC-AWEZNQCLSA-N 2 2 280.372 0.050 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)[C@H](C[NH3+])C1 ZINC000572227724 390773067 /nfs/dbraw/zinc/77/30/67/390773067.db2.gz UPGKNTLJKOMACB-OLZOCXBDSA-N 3 2 297.447 0.049 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)[C@H](C[NH3+])C1 ZINC000572227724 390773069 /nfs/dbraw/zinc/77/30/69/390773069.db2.gz UPGKNTLJKOMACB-OLZOCXBDSA-N 3 2 297.447 0.049 20 0 CCADLP [NH3+][C@H](C(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1cscn1 ZINC000572284035 390776730 /nfs/dbraw/zinc/77/67/30/390776730.db2.gz OMUJZOHECCSFIF-SFYZADRCSA-N 2 2 276.312 0.256 20 0 CCADLP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@H](O)C[NH+](C)C)c1 ZINC000572404531 390781954 /nfs/dbraw/zinc/78/19/54/390781954.db2.gz NQPCDWPTRMIVDC-LSDHHAIUSA-N 2 2 296.411 0.555 20 0 CCADLP COc1ncncc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000647181527 390784098 /nfs/dbraw/zinc/78/40/98/390784098.db2.gz FPEFWXGYOBBXQB-LLVKDONJSA-N 2 2 250.346 0.917 20 0 CCADLP COc1ncncc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000647181527 390784099 /nfs/dbraw/zinc/78/40/99/390784099.db2.gz FPEFWXGYOBBXQB-LLVKDONJSA-N 2 2 250.346 0.917 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000528955919 390785648 /nfs/dbraw/zinc/78/56/48/390785648.db2.gz SHHNGQBLGAPKPX-RYUDHWBXSA-N 2 2 250.346 0.743 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCCc2ncn(C)n2)C[N@@H+]1C1CC1 ZINC000647231063 390795288 /nfs/dbraw/zinc/79/52/88/390795288.db2.gz DKNIYPKJMZSXSD-RYUDHWBXSA-N 2 2 263.389 0.963 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCCc2ncn(C)n2)C[N@H+]1C1CC1 ZINC000647231063 390795293 /nfs/dbraw/zinc/79/52/93/390795293.db2.gz DKNIYPKJMZSXSD-RYUDHWBXSA-N 2 2 263.389 0.963 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCO[C@H](C(C)(C)C)C1 ZINC000572732185 390800130 /nfs/dbraw/zinc/80/01/30/390800130.db2.gz YUFDZNQCMBDNFY-KBPBESRZSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCO[C@H](C(C)(C)C)C1 ZINC000572732185 390800132 /nfs/dbraw/zinc/80/01/32/390800132.db2.gz YUFDZNQCMBDNFY-KBPBESRZSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000572732185 390800135 /nfs/dbraw/zinc/80/01/35/390800135.db2.gz YUFDZNQCMBDNFY-KBPBESRZSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000572732185 390800137 /nfs/dbraw/zinc/80/01/37/390800137.db2.gz YUFDZNQCMBDNFY-KBPBESRZSA-N 2 2 288.432 0.672 20 0 CCADLP O=C(NCCn1cc[nH+]c1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529280702 390801600 /nfs/dbraw/zinc/80/16/00/390801600.db2.gz AUKSHROWKXPLTR-NSHDSACASA-N 2 2 263.345 0.467 20 0 CCADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000646911975 390738665 /nfs/dbraw/zinc/73/86/65/390738665.db2.gz KRDNECOLBSBNPZ-AVGNSLFASA-N 2 2 274.368 0.608 20 0 CCADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000646911975 390738666 /nfs/dbraw/zinc/73/86/66/390738666.db2.gz KRDNECOLBSBNPZ-AVGNSLFASA-N 2 2 274.368 0.608 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCCc3cccnc32)[C@@H](C[NH3+])C1 ZINC000571678527 390748214 /nfs/dbraw/zinc/74/82/14/390748214.db2.gz RFDMBKWKKHZJHS-UONOGXRCSA-N 2 2 288.395 0.603 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2CCCc3cccnc32)[C@@H](C[NH3+])C1 ZINC000571678527 390748217 /nfs/dbraw/zinc/74/82/17/390748217.db2.gz RFDMBKWKKHZJHS-UONOGXRCSA-N 2 2 288.395 0.603 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)NCCOCC[NH+](C)C)ccn12 ZINC000572899002 390810116 /nfs/dbraw/zinc/81/01/16/390810116.db2.gz PYYAYJSFBHCZOE-UHFFFAOYSA-N 2 2 290.367 0.951 20 0 CCADLP COc1c(N)[nH+]cnc1NCC1(SC)CC[NH+](C)CC1 ZINC000573020567 390820161 /nfs/dbraw/zinc/82/01/61/390820161.db2.gz PIBXEKQIRREMGP-UHFFFAOYSA-N 2 2 297.428 0.729 20 0 CCADLP COc1c(N)nc[nH+]c1NCC1(SC)CC[NH+](C)CC1 ZINC000573020567 390820163 /nfs/dbraw/zinc/82/01/63/390820163.db2.gz PIBXEKQIRREMGP-UHFFFAOYSA-N 2 2 297.428 0.729 20 0 CCADLP O=C(NC[C@H]1COCC[NH2+]1)N1CCC(n2cc[nH+]c2)CC1 ZINC000529373028 390821146 /nfs/dbraw/zinc/82/11/46/390821146.db2.gz CJFUICRGYKHGCF-LBPRGKRZSA-N 2 2 293.371 0.218 20 0 CCADLP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000529376438 390823821 /nfs/dbraw/zinc/82/38/21/390823821.db2.gz DBEJNFUIBCPSSA-KIJLLGNVSA-N 2 2 284.404 0.083 20 0 CCADLP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000529376438 390823823 /nfs/dbraw/zinc/82/38/23/390823823.db2.gz DBEJNFUIBCPSSA-KIJLLGNVSA-N 2 2 284.404 0.083 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CN(Cc2[nH+]ccn2CC(F)(F)F)CCO1 ZINC000647507541 390826427 /nfs/dbraw/zinc/82/64/27/390826427.db2.gz RKGOVEWRLNHWQP-UWVGGRQHSA-N 2 2 292.305 0.993 20 0 CCADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ncccc1F ZINC000529388265 390827373 /nfs/dbraw/zinc/82/73/73/390827373.db2.gz UOSZEKFOQMOWSM-WDEREUQCSA-N 2 2 295.362 0.566 20 0 CCADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ncccc1F ZINC000529388265 390827375 /nfs/dbraw/zinc/82/73/75/390827375.db2.gz UOSZEKFOQMOWSM-WDEREUQCSA-N 2 2 295.362 0.566 20 0 CCADLP COC[C@H](CO)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000647526407 390832656 /nfs/dbraw/zinc/83/26/56/390832656.db2.gz VAITVEBMFTXIJE-GJZGRUSLSA-N 2 2 282.384 0.076 20 0 CCADLP COC[C@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000647526407 390832658 /nfs/dbraw/zinc/83/26/58/390832658.db2.gz VAITVEBMFTXIJE-GJZGRUSLSA-N 2 2 282.384 0.076 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000578354913 390879802 /nfs/dbraw/zinc/87/98/02/390879802.db2.gz NEQPEHRVZMOMDR-UWVGGRQHSA-N 2 2 253.350 0.828 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000577940402 390853859 /nfs/dbraw/zinc/85/38/59/390853859.db2.gz JQOSCLCQKWNKOL-LSDHHAIUSA-N 3 2 296.459 0.648 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000577940402 390853860 /nfs/dbraw/zinc/85/38/60/390853860.db2.gz JQOSCLCQKWNKOL-LSDHHAIUSA-N 3 2 296.459 0.648 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCOC[C@H]1C1CCC1)C1CC1 ZINC000578440631 390884097 /nfs/dbraw/zinc/88/40/97/390884097.db2.gz CMVBDZTXGWPJLX-CABCVRRESA-N 2 2 268.401 0.942 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCOC[C@H]1C1CCC1)C1CC1 ZINC000578440631 390884099 /nfs/dbraw/zinc/88/40/99/390884099.db2.gz CMVBDZTXGWPJLX-CABCVRRESA-N 2 2 268.401 0.942 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCOC[C@H]1C1CCC1)C1CC1 ZINC000578440631 390884101 /nfs/dbraw/zinc/88/41/01/390884101.db2.gz CMVBDZTXGWPJLX-CABCVRRESA-N 2 2 268.401 0.942 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCOC[C@H]1C1CCC1)C1CC1 ZINC000578440631 390884104 /nfs/dbraw/zinc/88/41/04/390884104.db2.gz CMVBDZTXGWPJLX-CABCVRRESA-N 2 2 268.401 0.942 20 0 CCADLP [NH3+][C@H]1CCN(C(=O)C2CC[NH+](CC(F)F)CC2)C1 ZINC000578441437 390884391 /nfs/dbraw/zinc/88/43/91/390884391.db2.gz UPFONIYXEVHMNU-JTQLQIEISA-N 2 2 261.316 0.523 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000578881774 390905821 /nfs/dbraw/zinc/90/58/21/390905821.db2.gz VFCVDOJMAHOZPX-UHFFFAOYSA-N 2 2 283.416 0.509 20 0 CCADLP C[C@@H]([NH2+]C1CC1)C(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000423865724 533332866 /nfs/dbraw/zinc/33/28/66/533332866.db2.gz KYDAEVJKRIFJMM-IUODEOHRSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H]([NH2+]C1CC1)C(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000423865724 533332873 /nfs/dbraw/zinc/33/28/73/533332873.db2.gz KYDAEVJKRIFJMM-IUODEOHRSA-N 2 2 295.427 0.696 20 0 CCADLP COC[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000452091611 533363600 /nfs/dbraw/zinc/36/36/00/533363600.db2.gz SZUQKXNAFKESKG-CQSZACIVSA-N 2 2 283.416 0.509 20 0 CCADLP COC[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000452091611 533363606 /nfs/dbraw/zinc/36/36/06/533363606.db2.gz SZUQKXNAFKESKG-CQSZACIVSA-N 2 2 283.416 0.509 20 0 CCADLP C[C@@H](CO)[N@H+](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000342084149 130297561 /nfs/dbraw/zinc/29/75/61/130297561.db2.gz DCOGJXMTGFTQFG-ZDUSSCGKSA-N 2 2 295.383 0.236 20 0 CCADLP C[C@@H](CO)[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000342084149 130297564 /nfs/dbraw/zinc/29/75/64/130297564.db2.gz DCOGJXMTGFTQFG-ZDUSSCGKSA-N 2 2 295.383 0.236 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000192094813 130370372 /nfs/dbraw/zinc/37/03/72/130370372.db2.gz OUXIOSYCNFCXCN-NWDGAFQWSA-N 2 2 292.383 0.518 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000237113673 131005307 /nfs/dbraw/zinc/00/53/07/131005307.db2.gz MUKYWCQGBWUXOQ-OAHLLOKOSA-N 2 2 291.395 0.347 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000237113278 131005398 /nfs/dbraw/zinc/00/53/98/131005398.db2.gz ZOEMWTWCUAHKOD-JTQLQIEISA-N 2 2 265.313 0.797 20 0 CCADLP C[C@H](CNC(=O)c1csc(C[NH3+])n1)Cn1cc[nH+]c1 ZINC000237495269 131036542 /nfs/dbraw/zinc/03/65/42/131036542.db2.gz HFKXONQYJGIXGL-SECBINFHSA-N 2 2 279.369 0.864 20 0 CCADLP O=C(NCCc1cn2ccccc2[nH+]1)[C@H]1CSC[NH2+]1 ZINC000237900587 131064451 /nfs/dbraw/zinc/06/44/51/131064451.db2.gz WOJGTHFMYTXTFD-LLVKDONJSA-N 2 2 276.365 0.656 20 0 CCADLP COc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251919316 131131544 /nfs/dbraw/zinc/13/15/44/131131544.db2.gz XVHSYYDDKQFFHL-TZMCWYRMSA-N 2 2 291.395 0.981 20 0 CCADLP COc1ccccc1CNC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251919316 131131545 /nfs/dbraw/zinc/13/15/45/131131545.db2.gz XVHSYYDDKQFFHL-TZMCWYRMSA-N 2 2 291.395 0.981 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)C1 ZINC000252217618 131133756 /nfs/dbraw/zinc/13/37/56/131133756.db2.gz YDBUWDHAKBTPKN-AGIUHOORSA-N 2 2 253.390 0.914 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)C1 ZINC000252217618 131133757 /nfs/dbraw/zinc/13/37/57/131133757.db2.gz YDBUWDHAKBTPKN-AGIUHOORSA-N 2 2 253.390 0.914 20 0 CCADLP C[C@H](C[NH3+])C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000262364637 131215417 /nfs/dbraw/zinc/21/54/17/131215417.db2.gz KVVCWBWRSWLWPT-HIFRSBDPSA-N 2 2 291.395 0.459 20 0 CCADLP CC[NH+]1CCN(CCCNC(=O)CCn2cc[nH+]c2)CC1 ZINC000263676231 131306394 /nfs/dbraw/zinc/30/63/94/131306394.db2.gz MDHHRHSBQQJUFP-UHFFFAOYSA-N 2 2 293.415 0.417 20 0 CCADLP CCN1CC[NH+](CCCNC(=O)CCn2cc[nH+]c2)CC1 ZINC000263676231 131306397 /nfs/dbraw/zinc/30/63/97/131306397.db2.gz MDHHRHSBQQJUFP-UHFFFAOYSA-N 2 2 293.415 0.417 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)CCn1cc[nH+]c1 ZINC000263885379 131353551 /nfs/dbraw/zinc/35/35/51/131353551.db2.gz RQESCQSSNDKNRH-UHFFFAOYSA-N 2 2 266.345 0.064 20 0 CCADLP O=C(NCc1cn2c([nH+]1)CCCC2)[C@@H]1CCC[NH2+]C1 ZINC000269256443 132144399 /nfs/dbraw/zinc/14/43/99/132144399.db2.gz SLZOKUDNHIAPLB-LLVKDONJSA-N 2 2 262.357 0.835 20 0 CCADLP C[C@@H](Cn1cncn1)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000657898957 413073642 /nfs/dbraw/zinc/07/36/42/413073642.db2.gz SCECPRARYVJEDU-RYUDHWBXSA-N 2 2 269.418 0.694 20 0 CCADLP CC(C)OCCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000171498890 335067330 /nfs/dbraw/zinc/06/73/30/335067330.db2.gz AGEOXRCOQAVDJG-UHFFFAOYSA-N 2 2 271.405 0.507 20 0 CCADLP OCC1(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)COC1 ZINC000531802284 285746803 /nfs/dbraw/zinc/74/68/03/285746803.db2.gz IZYFIQAGDWRGON-UHFFFAOYSA-N 2 2 251.330 0.598 20 0 CCADLP C[N@H+](CCCO)C1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000115547835 397411542 /nfs/dbraw/zinc/41/15/42/397411542.db2.gz GIQZXBJMUWTJLG-UHFFFAOYSA-N 2 2 252.362 0.688 20 0 CCADLP C[N@@H+](CCCO)C1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000115547835 397411544 /nfs/dbraw/zinc/41/15/44/397411544.db2.gz GIQZXBJMUWTJLG-UHFFFAOYSA-N 2 2 252.362 0.688 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000353451961 397467104 /nfs/dbraw/zinc/46/71/04/397467104.db2.gz QCLZZTAWNNQCJB-OLZOCXBDSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000356902298 144042933 /nfs/dbraw/zinc/04/29/33/144042933.db2.gz QQQCLSMIKPRYMM-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357070115 144056553 /nfs/dbraw/zinc/05/65/53/144056553.db2.gz FUGKQHFWYGKBPD-ZIAGYGMSSA-N 2 2 283.416 0.461 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357070115 144056554 /nfs/dbraw/zinc/05/65/54/144056554.db2.gz FUGKQHFWYGKBPD-ZIAGYGMSSA-N 2 2 283.416 0.461 20 0 CCADLP CC[NH+](CC)CC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000357720569 144115914 /nfs/dbraw/zinc/11/59/14/144115914.db2.gz HKIDPFLZNUEOBZ-AWEZNQCLSA-N 2 2 285.432 0.801 20 0 CCADLP C[C@]1(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CCCC[NH2+]1 ZINC000357817161 144123815 /nfs/dbraw/zinc/12/38/15/144123815.db2.gz PMRZJWRPKQYOKN-OAHLLOKOSA-N 2 2 291.399 0.586 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)N2CCn3c[nH+]cc3C2)CCC[N@@H+]1C ZINC000359189005 144199979 /nfs/dbraw/zinc/19/99/79/144199979.db2.gz FJJVVKVGWNGCNE-YPMHNXCESA-N 2 2 277.372 0.891 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)N2CCn3c[nH+]cc3C2)CCC[N@H+]1C ZINC000359189005 144199981 /nfs/dbraw/zinc/19/99/81/144199981.db2.gz FJJVVKVGWNGCNE-YPMHNXCESA-N 2 2 277.372 0.891 20 0 CCADLP C[C@H]1C[N@H+](Cc2cc[nH]n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370702754 144312819 /nfs/dbraw/zinc/31/28/19/144312819.db2.gz RDQVNWQYQQRQSR-DZGCQCFKSA-N 2 2 277.416 0.868 20 0 CCADLP C[C@H]1C[N@@H+](Cc2cc[nH]n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370702754 144312821 /nfs/dbraw/zinc/31/28/21/144312821.db2.gz RDQVNWQYQQRQSR-DZGCQCFKSA-N 2 2 277.416 0.868 20 0 CCADLP O=C1O[C@H](C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CC12CC2 ZINC000373036837 144389627 /nfs/dbraw/zinc/38/96/27/144389627.db2.gz SVEWVTPLUIBCDI-KGLIPLIRSA-N 2 2 294.395 0.736 20 0 CCADLP O=C1O[C@H](C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CC12CC2 ZINC000373036837 144389628 /nfs/dbraw/zinc/38/96/28/144389628.db2.gz SVEWVTPLUIBCDI-KGLIPLIRSA-N 2 2 294.395 0.736 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000439504834 397539640 /nfs/dbraw/zinc/53/96/40/397539640.db2.gz MWYLLKOFENVSFH-UKRRQHHQSA-N 2 2 297.443 0.680 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](C[C@@H]2CCC(C)(C)O2)CC1=O ZINC000649685914 397656059 /nfs/dbraw/zinc/65/60/59/397656059.db2.gz RFKHVHOTSOVQIZ-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](C[C@@H]2CCC(C)(C)O2)CC1=O ZINC000649685914 397656061 /nfs/dbraw/zinc/65/60/61/397656061.db2.gz RFKHVHOTSOVQIZ-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP C[N@H+](CCC[NH3+])CC(=O)Nc1nc2c(s1)CCC2 ZINC000649410177 397606108 /nfs/dbraw/zinc/60/61/08/397606108.db2.gz XARUVODQJFPYHZ-UHFFFAOYSA-N 2 2 268.386 0.851 20 0 CCADLP C[N@@H+](CCC[NH3+])CC(=O)Nc1nc2c(s1)CCC2 ZINC000649410177 397606109 /nfs/dbraw/zinc/60/61/09/397606109.db2.gz XARUVODQJFPYHZ-UHFFFAOYSA-N 2 2 268.386 0.851 20 0 CCADLP CCc1nc(CN2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)no1 ZINC000649413636 397607772 /nfs/dbraw/zinc/60/77/72/397607772.db2.gz VLCHRWKAWJMUFH-GFCCVEGCSA-N 2 2 279.388 0.359 20 0 CCADLP COCCOCCN1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000649896413 397681270 /nfs/dbraw/zinc/68/12/70/397681270.db2.gz MNSDCQLGMBLEDB-UHFFFAOYSA-N 2 2 296.415 0.554 20 0 CCADLP Cc1ccc(C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)nc1 ZINC000649899103 397681827 /nfs/dbraw/zinc/68/18/27/397681827.db2.gz VLCHBRAXJLOBBK-UHFFFAOYSA-N 2 2 276.384 0.596 20 0 CCADLP Cc1ccc(C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)nc1 ZINC000649899103 397681828 /nfs/dbraw/zinc/68/18/28/397681828.db2.gz VLCHBRAXJLOBBK-UHFFFAOYSA-N 2 2 276.384 0.596 20 0 CCADLP CCO[C@@H]1C[N@H+](Cc2cnc3cnccn23)C[C@H]1C[NH3+] ZINC000650714456 397748178 /nfs/dbraw/zinc/74/81/78/397748178.db2.gz GCAUDZMELYYHRI-DGCLKSJQSA-N 2 2 275.356 0.525 20 0 CCADLP CCO[C@@H]1C[N@@H+](Cc2cnc3cnccn23)C[C@H]1C[NH3+] ZINC000650714456 397748185 /nfs/dbraw/zinc/74/81/85/397748185.db2.gz GCAUDZMELYYHRI-DGCLKSJQSA-N 2 2 275.356 0.525 20 0 CCADLP CCO[C@@H]1C[N@H+](Cc2cnn(CCOC)c2)C[C@H]1C[NH3+] ZINC000650714765 397748353 /nfs/dbraw/zinc/74/83/53/397748353.db2.gz AQOZERDWKQZMJD-ZIAGYGMSSA-N 2 2 282.388 0.325 20 0 CCADLP CCO[C@@H]1C[N@@H+](Cc2cnn(CCOC)c2)C[C@H]1C[NH3+] ZINC000650714765 397748356 /nfs/dbraw/zinc/74/83/56/397748356.db2.gz AQOZERDWKQZMJD-ZIAGYGMSSA-N 2 2 282.388 0.325 20 0 CCADLP C[NH+](C)CCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000650988382 397799581 /nfs/dbraw/zinc/79/95/81/397799581.db2.gz CWXNOOVJVGYFBP-UHFFFAOYSA-N 2 2 264.373 0.830 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000548519329 286045316 /nfs/dbraw/zinc/04/53/16/286045316.db2.gz JBTICINNJKTYPD-OCCSQVGLSA-N 2 2 276.384 0.905 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000548519329 286045318 /nfs/dbraw/zinc/04/53/18/286045318.db2.gz JBTICINNJKTYPD-OCCSQVGLSA-N 2 2 276.384 0.905 20 0 CCADLP CCOCCCNC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359289047 286067511 /nfs/dbraw/zinc/06/75/11/286067511.db2.gz PQWMGGSYAAKUAZ-UPJWGTAASA-N 2 2 269.389 0.069 20 0 CCADLP CCOCCCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359289047 286067512 /nfs/dbraw/zinc/06/75/12/286067512.db2.gz PQWMGGSYAAKUAZ-UPJWGTAASA-N 2 2 269.389 0.069 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)NC(=O)c1c[nH+]c(C)[nH]1 ZINC000549790665 286099920 /nfs/dbraw/zinc/09/99/20/286099920.db2.gz ADRNVXGYVXDNIV-LLVKDONJSA-N 2 2 268.361 0.541 20 0 CCADLP CC(C)(CNC(=O)C1([NH3+])CC2(CCC2)C1)[NH+]1CCOCC1 ZINC000659263483 413360143 /nfs/dbraw/zinc/36/01/43/413360143.db2.gz ZYBMQUHPIIEJHZ-UHFFFAOYSA-N 2 2 295.427 0.875 20 0 CCADLP C[C@@H]([NH2+]C1CC1)C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000449146544 287010624 /nfs/dbraw/zinc/01/06/24/287010624.db2.gz NTNKYQLUMQGFIN-TZMCWYRMSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)C[NH+]1CCCC1 ZINC000062071589 411687212 /nfs/dbraw/zinc/68/72/12/411687212.db2.gz VFEAYGFRGHONKY-HUUCEWRRSA-N 3 2 269.433 0.765 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000313950905 411754777 /nfs/dbraw/zinc/75/47/77/411754777.db2.gz DBKORIHTBAFZJK-CYBMUJFWSA-N 2 2 267.373 0.824 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000313950905 411754781 /nfs/dbraw/zinc/75/47/81/411754781.db2.gz DBKORIHTBAFZJK-CYBMUJFWSA-N 2 2 267.373 0.824 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCN(c2nc(C)cs2)[C@H](C)C1 ZINC000652338905 412030689 /nfs/dbraw/zinc/03/06/89/412030689.db2.gz LRENQTBFRMEJRQ-TZMCWYRMSA-N 2 2 298.456 0.932 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCN(c2nc(C)cs2)[C@H](C)C1 ZINC000652338905 412030695 /nfs/dbraw/zinc/03/06/95/412030695.db2.gz LRENQTBFRMEJRQ-TZMCWYRMSA-N 2 2 298.456 0.932 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccccc1-n1cncn1 ZINC000653043354 412199082 /nfs/dbraw/zinc/19/90/82/412199082.db2.gz QFUMDISOZCMMOG-LLVKDONJSA-N 2 2 288.355 0.485 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000653059132 412205592 /nfs/dbraw/zinc/20/55/92/412205592.db2.gz VURWMYWNDKQFKB-ZDUSSCGKSA-N 3 2 284.448 0.646 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCOc1ccc(F)cc1 ZINC000653068819 412207362 /nfs/dbraw/zinc/20/73/62/412207362.db2.gz SCKHCKMIYKQXGU-CYBMUJFWSA-N 2 2 283.347 0.600 20 0 CCADLP CCOc1ccccc1CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653065224 412207906 /nfs/dbraw/zinc/20/79/06/412207906.db2.gz ZIHCBRQURBAJNR-CYBMUJFWSA-N 2 2 279.384 0.981 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC(=O)Nc1ccccc1 ZINC000653074519 412210715 /nfs/dbraw/zinc/21/07/15/412210715.db2.gz LALGTAWCBFRCSZ-GFCCVEGCSA-N 2 2 278.356 0.020 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1OCCc2ccccc21 ZINC000653090540 412213922 /nfs/dbraw/zinc/21/39/22/412213922.db2.gz RYXADQSTVRVNHI-CABCVRRESA-N 2 2 291.395 0.696 20 0 CCADLP C[C@@H]1CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@@H]1CC[NH3+] ZINC000653243374 412265585 /nfs/dbraw/zinc/26/55/85/412265585.db2.gz AYEYGHPZSVIMSG-JHJVBQTASA-N 3 2 270.421 0.241 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N(C)Cc1cnn(C)c1 ZINC000653299560 412285013 /nfs/dbraw/zinc/28/50/13/412285013.db2.gz ZYQIXIPEOKVGQK-DGCLKSJQSA-N 2 2 279.388 0.190 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N(C)Cc1cnn(C)c1 ZINC000653299560 412285014 /nfs/dbraw/zinc/28/50/14/412285014.db2.gz ZYQIXIPEOKVGQK-DGCLKSJQSA-N 2 2 279.388 0.190 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@]1(C)CCCS1 ZINC000653098672 412216826 /nfs/dbraw/zinc/21/68/26/412216826.db2.gz UWTYBEBGHAKPJH-CMPLNLGQSA-N 2 2 259.419 0.667 20 0 CCADLP Cn1cc([C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C(C)(C)C)cn1 ZINC000653102425 412218451 /nfs/dbraw/zinc/21/84/51/412218451.db2.gz XYZSGNHBPVWUAR-OLZOCXBDSA-N 2 2 295.431 0.903 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H](CC(N)=O)C1CCCCC1 ZINC000653101946 412219115 /nfs/dbraw/zinc/21/91/15/412219115.db2.gz KNTRDELLFRZMKQ-QWHCGFSZSA-N 2 2 298.431 0.206 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+](C)C ZINC000653107126 412220124 /nfs/dbraw/zinc/22/01/24/412220124.db2.gz YVMGYIJREPLTIV-HNNXBMFYSA-N 3 2 292.427 0.643 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC(C)(C)[C@H]1CCCCO1 ZINC000653104533 412220796 /nfs/dbraw/zinc/22/07/96/412220796.db2.gz KJQVRBADHQBYLO-QWHCGFSZSA-N 2 2 285.432 0.977 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCCn1cnc2ccccc21 ZINC000653108416 412221620 /nfs/dbraw/zinc/22/16/20/412221620.db2.gz WWVVVXONBXNLJY-LBPRGKRZSA-N 2 2 289.383 0.432 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000653107679 412222747 /nfs/dbraw/zinc/22/27/47/412222747.db2.gz TXJOXKWOWLNMCQ-ZDUSSCGKSA-N 2 2 291.399 0.899 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653116262 412225667 /nfs/dbraw/zinc/22/56/67/412225667.db2.gz AEQFYDHXACRXLE-UONOGXRCSA-N 2 2 295.427 0.744 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653116262 412225670 /nfs/dbraw/zinc/22/56/70/412225670.db2.gz AEQFYDHXACRXLE-UONOGXRCSA-N 2 2 295.427 0.744 20 0 CCADLP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653115669 412225981 /nfs/dbraw/zinc/22/59/81/412225981.db2.gz WUQUJTNOLWTXTO-RYUDHWBXSA-N 3 2 258.410 0.112 20 0 CCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653115669 412225985 /nfs/dbraw/zinc/22/59/85/412225985.db2.gz WUQUJTNOLWTXTO-RYUDHWBXSA-N 3 2 258.410 0.112 20 0 CCADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653113130 412226755 /nfs/dbraw/zinc/22/67/55/412226755.db2.gz UFTSNAMLAYLAGR-MCIONIFRSA-N 3 2 284.448 0.502 20 0 CCADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653113130 412226760 /nfs/dbraw/zinc/22/67/60/412226760.db2.gz UFTSNAMLAYLAGR-MCIONIFRSA-N 3 2 284.448 0.502 20 0 CCADLP C[NH+](C)CC[C@@H](N)C(=O)NCCCCNc1cccc[nH+]1 ZINC000653116721 412227060 /nfs/dbraw/zinc/22/70/60/412227060.db2.gz QAKYXSWDYCFTNI-CYBMUJFWSA-N 2 2 293.415 0.669 20 0 CCADLP CN1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)Cc2ccccc21 ZINC000653116510 412227243 /nfs/dbraw/zinc/22/72/43/412227243.db2.gz JWKINNXRWOMAQF-AWEZNQCLSA-N 2 2 290.411 0.744 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000653121824 412229242 /nfs/dbraw/zinc/22/92/42/412229242.db2.gz DDGHKFLTHUHHDI-CQSZACIVSA-N 3 2 296.459 0.518 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653124143 412231467 /nfs/dbraw/zinc/23/14/67/412231467.db2.gz RTEDMIPBJBBLEZ-RDBSUJKOSA-N 3 2 282.432 0.351 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653124143 412231470 /nfs/dbraw/zinc/23/14/70/412231470.db2.gz RTEDMIPBJBBLEZ-RDBSUJKOSA-N 3 2 282.432 0.351 20 0 CCADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653140707 412239206 /nfs/dbraw/zinc/23/92/06/412239206.db2.gz LWZAWZJJZJYSNP-JQWIXIFHSA-N 2 2 262.357 0.710 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000653143189 412240611 /nfs/dbraw/zinc/24/06/11/412240611.db2.gz HRFQUAHONKGFCH-TZMCWYRMSA-N 2 2 288.395 0.972 20 0 CCADLP Cc1cc(C[NH3+])cc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000653165916 412249731 /nfs/dbraw/zinc/24/97/31/412249731.db2.gz LXMLCZPORCMJNL-ZDUSSCGKSA-N 3 2 264.373 0.671 20 0 CCADLP CC(C)[C@H]1C(=O)NCC[N@H+]1CCCc1c[nH+]cn1C ZINC000653554746 412317514 /nfs/dbraw/zinc/31/75/14/412317514.db2.gz UPCXBEAHRXKJBK-ZDUSSCGKSA-N 2 2 264.373 0.809 20 0 CCADLP CC(C)[C@H]1C(=O)NCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000653554746 412317518 /nfs/dbraw/zinc/31/75/18/412317518.db2.gz UPCXBEAHRXKJBK-ZDUSSCGKSA-N 2 2 264.373 0.809 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000653564546 412319082 /nfs/dbraw/zinc/31/90/82/412319082.db2.gz BOXSYBJEIUOHGN-DZGCQCFKSA-N 2 2 286.416 0.569 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000653564546 412319085 /nfs/dbraw/zinc/31/90/85/412319085.db2.gz BOXSYBJEIUOHGN-DZGCQCFKSA-N 2 2 286.416 0.569 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000653564548 412319726 /nfs/dbraw/zinc/31/97/26/412319726.db2.gz BOXSYBJEIUOHGN-UKRRQHHQSA-N 2 2 286.416 0.569 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000653564548 412319729 /nfs/dbraw/zinc/31/97/29/412319729.db2.gz BOXSYBJEIUOHGN-UKRRQHHQSA-N 2 2 286.416 0.569 20 0 CCADLP CC(C)[NH2+][C@H]1CCC[N@H+](CC[C@@H]2CCNC2=O)C1 ZINC000653578975 412320445 /nfs/dbraw/zinc/32/04/45/412320445.db2.gz HXZDROICEVJFCH-STQMWFEESA-N 2 2 253.390 0.975 20 0 CCADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CC[C@@H]2CCNC2=O)C1 ZINC000653578975 412320447 /nfs/dbraw/zinc/32/04/47/412320447.db2.gz HXZDROICEVJFCH-STQMWFEESA-N 2 2 253.390 0.975 20 0 CCADLP C[C@@](O)(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)C(F)(F)F ZINC000653644837 412329910 /nfs/dbraw/zinc/32/99/10/412329910.db2.gz SFQNKMHHWBDTKM-SNVBAGLBSA-N 2 2 278.278 0.845 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@]2(CCOC2)C1 ZINC000653755560 412341947 /nfs/dbraw/zinc/34/19/47/412341947.db2.gz XUQWVURGRIGLKI-LSDHHAIUSA-N 2 2 286.416 0.428 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@]2(CCOC2)C1 ZINC000653755560 412341950 /nfs/dbraw/zinc/34/19/50/412341950.db2.gz XUQWVURGRIGLKI-LSDHHAIUSA-N 2 2 286.416 0.428 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000653755560 412341954 /nfs/dbraw/zinc/34/19/54/412341954.db2.gz XUQWVURGRIGLKI-LSDHHAIUSA-N 2 2 286.416 0.428 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000653755560 412341955 /nfs/dbraw/zinc/34/19/55/412341955.db2.gz XUQWVURGRIGLKI-LSDHHAIUSA-N 2 2 286.416 0.428 20 0 CCADLP C[C@H](CNc1ccccc1)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653347110 412292647 /nfs/dbraw/zinc/29/26/47/412292647.db2.gz SGGOMPCIBJCODR-TZMCWYRMSA-N 2 2 278.400 0.882 20 0 CCADLP COCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000654749896 412435870 /nfs/dbraw/zinc/43/58/70/412435870.db2.gz WBIXDKVLZDPLDC-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@H+]1CCC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC000654749896 412435872 /nfs/dbraw/zinc/43/58/72/412435872.db2.gz WBIXDKVLZDPLDC-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000654749896 412435875 /nfs/dbraw/zinc/43/58/75/412435875.db2.gz WBIXDKVLZDPLDC-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@H+]1CCC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC000654749896 412435877 /nfs/dbraw/zinc/43/58/77/412435877.db2.gz WBIXDKVLZDPLDC-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000654768715 412436944 /nfs/dbraw/zinc/43/69/44/412436944.db2.gz RZJQAAWJAVHIRY-AWEZNQCLSA-N 2 2 283.416 0.509 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000654768715 412436947 /nfs/dbraw/zinc/43/69/47/412436947.db2.gz RZJQAAWJAVHIRY-AWEZNQCLSA-N 2 2 283.416 0.509 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC000654830648 412443067 /nfs/dbraw/zinc/44/30/67/412443067.db2.gz VQTZGZYZNUXQHA-LBPRGKRZSA-N 2 2 282.388 0.673 20 0 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C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654203 414429570 /nfs/dbraw/zinc/42/95/70/414429570.db2.gz YKTSDSOQMAWHBW-OCCSQVGLSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654203 414429575 /nfs/dbraw/zinc/42/95/75/414429575.db2.gz YKTSDSOQMAWHBW-OCCSQVGLSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@H](C(=O)N(C)C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660654203 414429582 /nfs/dbraw/zinc/42/95/82/414429582.db2.gz YKTSDSOQMAWHBW-OCCSQVGLSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@H](C(=O)N(C)C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660654203 414429589 /nfs/dbraw/zinc/42/95/89/414429589.db2.gz YKTSDSOQMAWHBW-OCCSQVGLSA-N 2 2 253.390 0.881 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)NCc1[nH+]ccn1C ZINC000660706221 414452565 /nfs/dbraw/zinc/45/25/65/414452565.db2.gz SXFQAOUFVYANFR-UHFFFAOYSA-N 2 2 251.334 0.123 20 0 CCADLP C[C@@H]1C[NH+](CCN2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)C[C@@H](C)O1 ZINC000660724336 414462462 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CCADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@H]2NC(=O)CC[C@H]2C1)C1CC1 ZINC000661597288 414647269 /nfs/dbraw/zinc/64/72/69/414647269.db2.gz PHUQTFKAIGEJLS-FPMFFAJLSA-N 2 2 281.400 0.042 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H]2NC(=O)CC[C@H]2C1)C1CC1 ZINC000661597288 414647272 /nfs/dbraw/zinc/64/72/72/414647272.db2.gz PHUQTFKAIGEJLS-FPMFFAJLSA-N 2 2 281.400 0.042 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1)C1CC1 ZINC000661597288 414647273 /nfs/dbraw/zinc/64/72/73/414647273.db2.gz PHUQTFKAIGEJLS-FPMFFAJLSA-N 2 2 281.400 0.042 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1)C1CC1 ZINC000661597288 414647276 /nfs/dbraw/zinc/64/72/76/414647276.db2.gz PHUQTFKAIGEJLS-FPMFFAJLSA-N 2 2 281.400 0.042 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661596665 414648006 /nfs/dbraw/zinc/64/80/06/414648006.db2.gz KCPMMOAYJSZTKP-OLZOCXBDSA-N 2 2 262.357 0.792 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661596665 414648009 /nfs/dbraw/zinc/64/80/09/414648009.db2.gz KCPMMOAYJSZTKP-OLZOCXBDSA-N 2 2 262.357 0.792 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)NC(=O)NCC(C)C)C1 ZINC000040600551 174350647 /nfs/dbraw/zinc/35/06/47/174350647.db2.gz KQFMJVMTRNXITM-GFCCVEGCSA-N 2 2 284.404 0.400 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)NC(=O)NCC(C)C)C1 ZINC000040600551 174350648 /nfs/dbraw/zinc/35/06/48/174350648.db2.gz KQFMJVMTRNXITM-GFCCVEGCSA-N 2 2 284.404 0.400 20 0 CCADLP c1c[nH+]c([C@H]2CCCN(C[C@H]3C[NH2+]CCO3)C2)[nH]1 ZINC000662259969 414701260 /nfs/dbraw/zinc/70/12/60/414701260.db2.gz FMWXZEGTKZRURS-NWDGAFQWSA-N 2 2 250.346 0.578 20 0 CCADLP Cc1noc(C)c1C[NH+]1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662261294 414701668 /nfs/dbraw/zinc/70/16/68/414701668.db2.gz WTSJKXJWNXABOJ-AWEZNQCLSA-N 2 2 294.399 0.397 20 0 CCADLP CN(C)c1noc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)n1 ZINC000662273004 414703909 /nfs/dbraw/zinc/70/39/09/414703909.db2.gz JGVYIXUQCCCCTN-LLVKDONJSA-N 2 2 295.387 0.323 20 0 CCADLP CN(C)c1noc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)n1 ZINC000662273004 414703910 /nfs/dbraw/zinc/70/39/10/414703910.db2.gz JGVYIXUQCCCCTN-LLVKDONJSA-N 2 2 295.387 0.323 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC000662277261 414704686 /nfs/dbraw/zinc/70/46/86/414704686.db2.gz OJEPEWSHVCJSNL-NTZNESFSSA-N 2 2 280.420 0.947 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000662278242 414704866 /nfs/dbraw/zinc/70/48/66/414704866.db2.gz ZOJWOXMSVACYCE-ZIAGYGMSSA-N 2 2 254.374 0.866 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662278087 414704874 /nfs/dbraw/zinc/70/48/74/414704874.db2.gz VJKYRLJQFONPHY-NDBYEHHHSA-N 3 2 253.390 0.484 20 0 CCADLP CN(C)C(=O)CC1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662279136 414705001 /nfs/dbraw/zinc/70/50/01/414705001.db2.gz RFASOTYJONIOQO-CYBMUJFWSA-N 2 2 269.389 0.165 20 0 CCADLP OCC1([NH2+]CCC[NH+]2CCCCC2)CC[NH2+]CC1 ZINC000662283278 414705579 /nfs/dbraw/zinc/70/55/79/414705579.db2.gz GUTYFSBBMMAPQH-UHFFFAOYSA-N 3 2 255.406 0.567 20 0 CCADLP NS(=O)(=O)c1cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])co1 ZINC000662282339 414705643 /nfs/dbraw/zinc/70/56/43/414705643.db2.gz GNKAPYZJBGLNQV-NXEZZACHSA-N 2 2 273.358 0.287 20 0 CCADLP CC[C@@H]1CCCCN1C(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662285737 414706385 /nfs/dbraw/zinc/70/63/85/414706385.db2.gz GPJBOOXJNNWZJZ-CYBMUJFWSA-N 2 2 283.416 0.482 20 0 CCADLP OCCC[N@@H+](Cc1ccccc1)C[C@@H]1C[NH2+]CCO1 ZINC000662286924 414706743 /nfs/dbraw/zinc/70/67/43/414706743.db2.gz UBTFUHSNOLMLOW-HNNXBMFYSA-N 2 2 264.369 0.859 20 0 CCADLP OCCC[N@H+](Cc1ccccc1)C[C@@H]1C[NH2+]CCO1 ZINC000662286924 414706744 /nfs/dbraw/zinc/70/67/44/414706744.db2.gz UBTFUHSNOLMLOW-HNNXBMFYSA-N 2 2 264.369 0.859 20 0 CCADLP [NH3+]CC[N@@H+](Cc1cccc2cccnc21)C[C@@H](O)CO ZINC000662288022 414707103 /nfs/dbraw/zinc/70/71/03/414707103.db2.gz MHYQTWVNZXCHOH-CQSZACIVSA-N 2 2 275.352 0.349 20 0 CCADLP [NH3+]CC[N@H+](Cc1cccc2cccnc21)C[C@@H](O)CO ZINC000662288022 414707104 /nfs/dbraw/zinc/70/71/04/414707104.db2.gz MHYQTWVNZXCHOH-CQSZACIVSA-N 2 2 275.352 0.349 20 0 CCADLP Cc1cccc(C)c1C[N@H+](CC[NH3+])C[C@H](O)CO ZINC000662289601 414707195 /nfs/dbraw/zinc/70/71/95/414707195.db2.gz TUDNOKWGSDDUMQ-ZDUSSCGKSA-N 2 2 252.358 0.417 20 0 CCADLP Cc1cccc(C)c1C[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000662289601 414707196 /nfs/dbraw/zinc/70/71/96/414707196.db2.gz TUDNOKWGSDDUMQ-ZDUSSCGKSA-N 2 2 252.358 0.417 20 0 CCADLP CC(C)NC(=O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662316130 414708682 /nfs/dbraw/zinc/70/86/82/414708682.db2.gz IOEJAWOQUNQNLQ-ZDUSSCGKSA-N 2 2 271.405 0.554 20 0 CCADLP CC(C)NC(=O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662316130 414708683 /nfs/dbraw/zinc/70/86/83/414708683.db2.gz IOEJAWOQUNQNLQ-ZDUSSCGKSA-N 2 2 271.405 0.554 20 0 CCADLP C[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)[C@@H]1CCC[NH3+] ZINC000662312081 414708943 /nfs/dbraw/zinc/70/89/43/414708943.db2.gz FWTHPAYWYUIWDD-HZSPNIEDSA-N 3 2 255.406 0.814 20 0 CCADLP C[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)[C@@H]1CCC[NH3+] ZINC000662312081 414708944 /nfs/dbraw/zinc/70/89/44/414708944.db2.gz FWTHPAYWYUIWDD-HZSPNIEDSA-N 3 2 255.406 0.814 20 0 CCADLP C[NH+](C)CCC[C@H]1CN(Cc2c[nH+]c[nH]2)CCO1 ZINC000662321822 414709649 /nfs/dbraw/zinc/70/96/49/414709649.db2.gz DTHRHUJITRNWFM-ZDUSSCGKSA-N 2 2 252.362 0.952 20 0 CCADLP CN(C(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)C1CC1 ZINC000662323287 414709874 /nfs/dbraw/zinc/70/98/74/414709874.db2.gz OXPWMDFMMUNSDM-CQSZACIVSA-N 2 2 283.416 0.650 20 0 CCADLP CN(C(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)C1CC1 ZINC000662323287 414709875 /nfs/dbraw/zinc/70/98/75/414709875.db2.gz OXPWMDFMMUNSDM-CQSZACIVSA-N 2 2 283.416 0.650 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000662054323 414688561 /nfs/dbraw/zinc/68/85/61/414688561.db2.gz MMLBYMDZIZJSOK-CYBMUJFWSA-N 2 2 276.384 0.907 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000662054323 414688562 /nfs/dbraw/zinc/68/85/62/414688562.db2.gz MMLBYMDZIZJSOK-CYBMUJFWSA-N 2 2 276.384 0.907 20 0 CCADLP O=c1ccccn1CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662153088 414694177 /nfs/dbraw/zinc/69/41/77/414694177.db2.gz NNRSCPBYWFAIJE-HNNXBMFYSA-N 2 2 291.395 0.379 20 0 CCADLP O=c1ccccn1CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662153088 414694178 /nfs/dbraw/zinc/69/41/78/414694178.db2.gz NNRSCPBYWFAIJE-HNNXBMFYSA-N 2 2 291.395 0.379 20 0 CCADLP CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662158401 414694270 /nfs/dbraw/zinc/69/42/70/414694270.db2.gz UBEINXDYFHAYRF-UKRRQHHQSA-N 2 2 297.443 0.773 20 0 CCADLP CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662158401 414694271 /nfs/dbraw/zinc/69/42/71/414694271.db2.gz UBEINXDYFHAYRF-UKRRQHHQSA-N 2 2 297.443 0.773 20 0 CCADLP C[C@@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)[C@@H]1C[NH3+] ZINC000662244988 414698827 /nfs/dbraw/zinc/69/88/27/414698827.db2.gz KPBQYXCJAGRGHP-JHJVBQTASA-N 3 2 253.390 0.567 20 0 CCADLP C[C@@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)[C@@H]1C[NH3+] ZINC000662244988 414698828 /nfs/dbraw/zinc/69/88/28/414698828.db2.gz KPBQYXCJAGRGHP-JHJVBQTASA-N 3 2 253.390 0.567 20 0 CCADLP CNS(=O)(=O)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000662247009 414699153 /nfs/dbraw/zinc/69/91/53/414699153.db2.gz XRLPCLMPEHRHIZ-SMDDNHRTSA-N 2 2 297.424 0.764 20 0 CCADLP CNS(=O)(=O)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000662247009 414699154 /nfs/dbraw/zinc/69/91/54/414699154.db2.gz XRLPCLMPEHRHIZ-SMDDNHRTSA-N 2 2 297.424 0.764 20 0 CCADLP CCCCCNC(=O)C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662250908 414699535 /nfs/dbraw/zinc/69/95/35/414699535.db2.gz RTXPLLIYIRYZAN-OAHLLOKOSA-N 2 2 297.443 0.993 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1Cc2c[nH]nc2CC(C)(C)C1 ZINC000662761150 414769319 /nfs/dbraw/zinc/76/93/19/414769319.db2.gz PUIKXVJIXLKITR-LBPRGKRZSA-N 2 2 293.415 0.600 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000662377704 414712854 /nfs/dbraw/zinc/71/28/54/414712854.db2.gz NZOGRQSBOXAKAN-GFCCVEGCSA-N 2 2 264.373 0.876 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000662377705 414712867 /nfs/dbraw/zinc/71/28/67/414712867.db2.gz NZOGRQSBOXAKAN-LBPRGKRZSA-N 2 2 264.373 0.876 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)NCCN3CC[NH2+]CC3)ccn12 ZINC000662400142 414714503 /nfs/dbraw/zinc/71/45/03/414714503.db2.gz JZIMJZPRRFIJEK-UHFFFAOYSA-N 2 2 287.367 0.278 20 0 CCADLP C[C@H](Cc1ccco1)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000662430145 414717606 /nfs/dbraw/zinc/71/76/06/414717606.db2.gz UZUPLAJCXHJJEO-NEPJUHHUSA-N 2 2 265.357 0.560 20 0 CCADLP C[C@H](Cc1ccco1)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000662430145 414717607 /nfs/dbraw/zinc/71/76/07/414717607.db2.gz UZUPLAJCXHJJEO-NEPJUHHUSA-N 2 2 265.357 0.560 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000662446798 414719185 /nfs/dbraw/zinc/71/91/85/414719185.db2.gz IXQOPYCZRFGHFH-WOPDTQHZSA-N 2 2 257.378 0.210 20 0 CCADLP CC(C)[NH2+]CC(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000662448279 414719321 /nfs/dbraw/zinc/71/93/21/414719321.db2.gz LMTFUBANHFJLPS-UHFFFAOYSA-N 2 2 279.388 0.062 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662458599 414720558 /nfs/dbraw/zinc/72/05/58/414720558.db2.gz YOHWBISBXGHWMU-OCCSQVGLSA-N 3 2 282.432 0.269 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662458599 414720559 /nfs/dbraw/zinc/72/05/59/414720559.db2.gz YOHWBISBXGHWMU-OCCSQVGLSA-N 3 2 282.432 0.269 20 0 CCADLP CC(C)OC[C@H]([NH3+])C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000662501178 414723475 /nfs/dbraw/zinc/72/34/75/414723475.db2.gz ALMLQBSQAHIQSY-LBPRGKRZSA-N 2 2 276.340 0.703 20 0 CCADLP CC(C)OC[C@H]([NH3+])C(=O)N(C)CCCn1cc[nH+]c1 ZINC000662502972 414723688 /nfs/dbraw/zinc/72/36/88/414723688.db2.gz CPXGQMFQUILJHZ-LBPRGKRZSA-N 2 2 268.361 0.484 20 0 CCADLP CN(CC(C)(C)[NH3+])C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000662606694 414732175 /nfs/dbraw/zinc/73/21/75/414732175.db2.gz VVZRQFMMOJOYFC-CYBMUJFWSA-N 2 2 283.416 0.826 20 0 CCADLP CN(CC(C)(C)[NH3+])C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000662606694 414732176 /nfs/dbraw/zinc/73/21/76/414732176.db2.gz VVZRQFMMOJOYFC-CYBMUJFWSA-N 2 2 283.416 0.826 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000662629453 414734530 /nfs/dbraw/zinc/73/45/30/414734530.db2.gz FSUBPBDYNHLZKD-RNJOBUHISA-N 2 2 271.405 0.585 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000662629453 414734531 /nfs/dbraw/zinc/73/45/31/414734531.db2.gz FSUBPBDYNHLZKD-RNJOBUHISA-N 2 2 271.405 0.585 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CC23CC[NH2+]CC3)[C@H](C)CO1 ZINC000662633478 414735290 /nfs/dbraw/zinc/73/52/90/414735290.db2.gz LELWVFBMXUWSEH-MCIONIFRSA-N 2 2 295.427 0.602 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CC23CC[NH2+]CC3)[C@H](C)CO1 ZINC000662633478 414735291 /nfs/dbraw/zinc/73/52/91/414735291.db2.gz LELWVFBMXUWSEH-MCIONIFRSA-N 2 2 295.427 0.602 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)c2ccnc(C[NH3+])c2)[C@@H](C)CO1 ZINC000662632278 414735572 /nfs/dbraw/zinc/73/55/72/414735572.db2.gz ZSFUPDLTSPJMBZ-RYUDHWBXSA-N 2 2 292.383 0.379 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)c2ccnc(C[NH3+])c2)[C@@H](C)CO1 ZINC000662632278 414735573 /nfs/dbraw/zinc/73/55/73/414735573.db2.gz ZSFUPDLTSPJMBZ-RYUDHWBXSA-N 2 2 292.383 0.379 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662635032 414736009 /nfs/dbraw/zinc/73/60/09/414736009.db2.gz UGDOSEPYXSBVRH-TUAOUCFPSA-N 2 2 257.378 0.210 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662635032 414736010 /nfs/dbraw/zinc/73/60/10/414736010.db2.gz UGDOSEPYXSBVRH-TUAOUCFPSA-N 2 2 257.378 0.210 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662636493 414736141 /nfs/dbraw/zinc/73/61/41/414736141.db2.gz YVCWRCIIXPFZGW-IRCOFANPSA-N 2 2 257.378 0.195 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000662636493 414736142 /nfs/dbraw/zinc/73/61/42/414736142.db2.gz YVCWRCIIXPFZGW-IRCOFANPSA-N 2 2 257.378 0.195 20 0 CCADLP [NH3+][C@@H](C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)C1CCC1 ZINC000662656987 414737539 /nfs/dbraw/zinc/73/75/39/414737539.db2.gz VRXAAARIXZWOEM-QWHCGFSZSA-N 2 2 267.373 0.047 20 0 CCADLP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662657209 414737803 /nfs/dbraw/zinc/73/78/03/414737803.db2.gz XUEDBCRMUDPBNS-DZKIICNBSA-N 2 2 295.427 0.827 20 0 CCADLP CC1(C)CC[NH2+][C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000662659023 414738292 /nfs/dbraw/zinc/73/82/92/414738292.db2.gz HVOJNVQQCXHULG-LLVKDONJSA-N 2 2 250.346 0.778 20 0 CCADLP [NH3+][C@H]1C[C@H](C(=O)NCc2ccc(N3CCOCC3)[nH+]c2)C1 ZINC000662670885 414739501 /nfs/dbraw/zinc/73/95/01/414739501.db2.gz JHUSJELURUJQPU-JOCQHMNTSA-N 2 2 290.367 0.272 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662685481 414741153 /nfs/dbraw/zinc/74/11/53/414741153.db2.gz CUAUIUXPBGPWBY-VIFPVBQESA-N 2 2 277.328 0.883 20 0 CCADLP O=C(C[C@H]1CCC[NH2+]1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662703003 414743589 /nfs/dbraw/zinc/74/35/89/414743589.db2.gz GGGKRSVFWXOBDI-OAHLLOKOSA-N 2 2 295.427 0.699 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662702878 414743655 /nfs/dbraw/zinc/74/36/55/414743655.db2.gz CPGSQXQTHOBVOJ-CQSZACIVSA-N 2 2 283.416 0.555 20 0 CCADLP CC(C)[NH2+]CCC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662703814 414743698 /nfs/dbraw/zinc/74/36/98/414743698.db2.gz OBRGWLVFASQINB-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662703007 414743814 /nfs/dbraw/zinc/74/38/14/414743814.db2.gz GIJDMQVXQLOIBH-QWHCGFSZSA-N 2 2 283.416 0.541 20 0 CCADLP C[C@@H](NC(=O)CC1([NH3+])CC1)[C@H](C)[NH+]1CCOCC1 ZINC000662721191 414746114 /nfs/dbraw/zinc/74/61/14/414746114.db2.gz RLGQTYWYZMEVMW-MNOVXSKESA-N 2 2 255.362 0.093 20 0 CCADLP CO[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CCCCC1 ZINC000662733265 414748302 /nfs/dbraw/zinc/74/83/02/414748302.db2.gz IYZZPXZDKCMWOS-KBPBESRZSA-N 2 2 285.432 0.977 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@H]2[NH2+]CCC2(C)C)C[C@H](C)O1 ZINC000662790917 414797454 /nfs/dbraw/zinc/79/74/54/414797454.db2.gz GBYROHPJAIHHDN-MJBXVCDLSA-N 2 2 297.443 0.942 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@H]2[NH2+]CCC2(C)C)C[C@H](C)O1 ZINC000662790917 414797456 /nfs/dbraw/zinc/79/74/56/414797456.db2.gz GBYROHPJAIHHDN-MJBXVCDLSA-N 2 2 297.443 0.942 20 0 CCADLP Cn1c2ccc(NC(=O)C3(O)C[NH2+]C3)cc2[nH+]c1C1CC1 ZINC000662796541 414802132 /nfs/dbraw/zinc/80/21/32/414802132.db2.gz NPZBKSDOIRSIDS-UHFFFAOYSA-N 2 2 286.335 0.724 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1COCC[NH2+]1 ZINC000662877552 414865006 /nfs/dbraw/zinc/86/50/06/414865006.db2.gz JSLFTUXOEJGDFQ-OCCSQVGLSA-N 2 2 281.400 0.498 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1COCC[NH2+]1 ZINC000662877552 414865010 /nfs/dbraw/zinc/86/50/10/414865010.db2.gz JSLFTUXOEJGDFQ-OCCSQVGLSA-N 2 2 281.400 0.498 20 0 CCADLP Cc1cc(CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])cc(C)[nH+]1 ZINC000662818076 414815546 /nfs/dbraw/zinc/81/55/46/414815546.db2.gz OBOVQIVNJUCJRM-QWHCGFSZSA-N 2 2 263.341 0.678 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1[NH2+]CCC1(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662833545 414827382 /nfs/dbraw/zinc/82/73/82/414827382.db2.gz PGSZWOZHTIIKHL-MQYQWHSLSA-N 2 2 297.443 0.988 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1[NH2+]CCC1(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000662833545 414827386 /nfs/dbraw/zinc/82/73/86/414827386.db2.gz PGSZWOZHTIIKHL-MQYQWHSLSA-N 2 2 297.443 0.988 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@]2(C)CCC[NH2+]C2)[C@@H](C)CO1 ZINC000662860197 414852397 /nfs/dbraw/zinc/85/23/97/414852397.db2.gz RGWYYMSKUZUXMT-GUTXKFCHSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@]2(C)CCC[NH2+]C2)[C@@H](C)CO1 ZINC000662860197 414852402 /nfs/dbraw/zinc/85/24/02/414852402.db2.gz RGWYYMSKUZUXMT-GUTXKFCHSA-N 2 2 283.416 0.602 20 0 CCADLP [NH3+]C1(C(=O)N2CC[NH+]([C@H]3CCOC3)CC2)CCCC1 ZINC000662870633 414856622 /nfs/dbraw/zinc/85/66/22/414856622.db2.gz JLJJVPJRMUUMHO-LBPRGKRZSA-N 2 2 267.373 0.191 20 0 CCADLP O=C(N1CC[NH+]([C@H]2CCOC2)CC1)C1([NH2+]C2CC2)CCC1 ZINC000662870726 414856826 /nfs/dbraw/zinc/85/68/26/414856826.db2.gz MNVQYHZMDWUFFD-AWEZNQCLSA-N 2 2 293.411 0.594 20 0 CCADLP C[C@@H](NC(=O)C[NH2+]C[C@@H]1CCCO1)c1[nH+]ccn1C ZINC000662935635 414906130 /nfs/dbraw/zinc/90/61/30/414906130.db2.gz WXXJJQWCZCADIE-MNOVXSKESA-N 2 2 266.345 0.366 20 0 CCADLP CN(C(=O)CC1([NH3+])CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899694 414879559 /nfs/dbraw/zinc/87/95/59/414879559.db2.gz FQNWRFNYNNQHFC-AWEZNQCLSA-N 3 2 294.443 0.495 20 0 CCADLP CN(C(=O)CC1([NH3+])CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899694 414879561 /nfs/dbraw/zinc/87/95/61/414879561.db2.gz FQNWRFNYNNQHFC-AWEZNQCLSA-N 3 2 294.443 0.495 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000662901082 414879781 /nfs/dbraw/zinc/87/97/81/414879781.db2.gz CSDIORWSVFTFLP-RISCZKNCSA-N 2 2 280.372 0.706 20 0 CCADLP CN(C(=O)C1(C)C[NH2+]C1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662901268 414880700 /nfs/dbraw/zinc/88/07/00/414880700.db2.gz VAVIQYBDYZVMNI-CQSZACIVSA-N 3 2 294.443 0.223 20 0 CCADLP CN(C(=O)C1(C)C[NH2+]C1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662901268 414880705 /nfs/dbraw/zinc/88/07/05/414880705.db2.gz VAVIQYBDYZVMNI-CQSZACIVSA-N 3 2 294.443 0.223 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)C[C@@H](C[NH3+])OC ZINC000662901287 414881206 /nfs/dbraw/zinc/88/12/06/414881206.db2.gz XYFJHZJZQMIMRG-UWVGGRQHSA-N 2 2 254.334 0.444 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)COC1CC[NH2+]CC1 ZINC000662902766 414882099 /nfs/dbraw/zinc/88/20/99/414882099.db2.gz RRUODMAKTCUSPA-LLVKDONJSA-N 2 2 280.372 0.849 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CC12CC[NH2+]CC2)c1[nH+]ccn1C ZINC000662932434 414900515 /nfs/dbraw/zinc/90/05/15/414900515.db2.gz ATKLAODPYHLRDT-QWRGUYRKSA-N 2 2 262.357 0.987 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)N[C@H]2CCC[NH+](C)C2)[C@H](C)CO1 ZINC000663775416 415131701 /nfs/dbraw/zinc/13/17/01/415131701.db2.gz XVVZSACDDBROEY-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2CCC[NH+](C)C2)[C@H](C)CO1 ZINC000663775416 415131707 /nfs/dbraw/zinc/13/17/07/415131707.db2.gz XVVZSACDDBROEY-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@H]2CCC[N@H+](C)C2)[C@H](C)CO1 ZINC000663775416 415131712 /nfs/dbraw/zinc/13/17/12/415131712.db2.gz XVVZSACDDBROEY-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)N[C@H]2CCC[N@@H+](C)C2)[C@H](C)CO1 ZINC000663775416 415131719 /nfs/dbraw/zinc/13/17/19/415131719.db2.gz XVVZSACDDBROEY-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP Nc1[nH+]cnc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1Cl ZINC000664600273 415432681 /nfs/dbraw/zinc/43/26/81/415432681.db2.gz TUUIHYJOYMNYRA-JTQLQIEISA-N 2 2 297.790 0.748 20 0 CCADLP Nc1[nH+]cnc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)c1Cl ZINC000664600273 415432684 /nfs/dbraw/zinc/43/26/84/415432684.db2.gz TUUIHYJOYMNYRA-JTQLQIEISA-N 2 2 297.790 0.748 20 0 CCADLP C[C@@H](CCNC(=O)N[C@H]1CCn2cc[nH+]c2C1)[NH+](C)C ZINC000664713934 415453808 /nfs/dbraw/zinc/45/38/08/415453808.db2.gz CYRDVRDIPWTFSF-RYUDHWBXSA-N 2 2 279.388 0.837 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000664799112 415473135 /nfs/dbraw/zinc/47/31/35/415473135.db2.gz JSQNOACTBSPJDK-UONOGXRCSA-N 2 2 282.432 0.968 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1C[C@H]1C1CC1 ZINC000664799112 415473141 /nfs/dbraw/zinc/47/31/41/415473141.db2.gz JSQNOACTBSPJDK-UONOGXRCSA-N 2 2 282.432 0.968 20 0 CCADLP FC1(F)C[C@@H]1OCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000665244322 415576719 /nfs/dbraw/zinc/57/67/19/415576719.db2.gz KWJMXOXOPHMJEF-GRYCIOLGSA-N 2 2 276.327 0.767 20 0 CCADLP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1nc(C(N)=O)cs1 ZINC000665272470 415583938 /nfs/dbraw/zinc/58/39/38/415583938.db2.gz FWUIBFMPSLFQJU-RKDXNWHRSA-N 2 2 268.386 0.720 20 0 CCADLP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000665275993 415588502 /nfs/dbraw/zinc/58/85/02/415588502.db2.gz WQCAJZFMFOUQDS-QEJZJMRPSA-N 3 2 267.417 0.957 20 0 CCADLP Cc1cc(NC(=O)CC[N@@H+](C)[C@H]2CC[NH2+]C2)no1 ZINC000071310979 176118010 /nfs/dbraw/zinc/11/80/10/176118010.db2.gz UHBWFWWMGKGMAJ-JTQLQIEISA-N 2 2 252.318 0.605 20 0 CCADLP Cc1cc(NC(=O)CC[N@H+](C)[C@H]2CC[NH2+]C2)no1 ZINC000071310979 176118011 /nfs/dbraw/zinc/11/80/11/176118011.db2.gz UHBWFWWMGKGMAJ-JTQLQIEISA-N 2 2 252.318 0.605 20 0 CCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccco1 ZINC000035142501 544420013 /nfs/dbraw/zinc/42/00/13/544420013.db2.gz UCIZDSDXXWVDEV-LLVKDONJSA-N 2 2 251.330 0.704 20 0 CCADLP C[C@H]1CCC[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1 ZINC000037255348 544422112 /nfs/dbraw/zinc/42/21/12/544422112.db2.gz MHQRSCILMNLETK-STQMWFEESA-N 2 2 253.390 0.929 20 0 CCADLP COCc1cccc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)c1 ZINC000038010925 544423773 /nfs/dbraw/zinc/42/37/73/544423773.db2.gz VPHMXIBDNNPSJC-UHFFFAOYSA-N 2 2 291.395 0.697 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNc1nc(N)[nH+]c2c1CCCC2 ZINC000624621627 419422935 /nfs/dbraw/zinc/42/29/35/419422935.db2.gz FODNUSSKIKLMDM-SNVBAGLBSA-N 2 2 277.372 0.102 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNc1nc(N)[nH+]c2c1CCCC2 ZINC000624621627 419422943 /nfs/dbraw/zinc/42/29/43/419422943.db2.gz FODNUSSKIKLMDM-SNVBAGLBSA-N 2 2 277.372 0.102 20 0 CCADLP Cn1nncc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000120830854 544573204 /nfs/dbraw/zinc/57/32/04/544573204.db2.gz ISTFKCSCHMEDSI-UHFFFAOYSA-N 2 2 258.329 0.532 20 0 CCADLP Cc1[nH+]ccn1CCCN(C)C(=O)CN1CC[NH+](C)CC1 ZINC000130833888 544617754 /nfs/dbraw/zinc/61/77/54/544617754.db2.gz FLVDSRATBMGHEC-UHFFFAOYSA-N 2 2 293.415 0.287 20 0 CCADLP COc1cc[nH+]c(CN2CC[NH2+][C@@H](C)C2)c1OC ZINC000232197976 544862986 /nfs/dbraw/zinc/86/29/86/544862986.db2.gz OIZGBZPURZTIBY-JTQLQIEISA-N 2 2 251.330 0.893 20 0 CCADLP C[NH2+][C@H]1CCN(Cc2[nH+]ccc(OC)c2OC)C1 ZINC000232198080 544863173 /nfs/dbraw/zinc/86/31/73/544863173.db2.gz BFODEGKDGUUFIT-JTQLQIEISA-N 2 2 251.330 0.893 20 0 CCADLP CCc1cc(N2CC[NH+](C(C)(C)C(N)=O)CC2)nc(C)[nH+]1 ZINC000272908741 544951545 /nfs/dbraw/zinc/95/15/45/544951545.db2.gz QXJRWUYWCSTCSO-UHFFFAOYSA-N 2 2 291.399 0.733 20 0 CCADLP CCc1cc(NCCC[N@@H+]2CCNC(=O)C2)nc(C)[nH+]1 ZINC000272826848 544951776 /nfs/dbraw/zinc/95/17/76/544951776.db2.gz GEOFPCHJDVBGJG-UHFFFAOYSA-N 2 2 277.372 0.581 20 0 CCADLP CCc1cc(NCCC[N@H+]2CCNC(=O)C2)nc(C)[nH+]1 ZINC000272826848 544951783 /nfs/dbraw/zinc/95/17/83/544951783.db2.gz GEOFPCHJDVBGJG-UHFFFAOYSA-N 2 2 277.372 0.581 20 0 CCADLP C[C@@H]1CCC[N@H+](CCN2C(=O)NC(C)(C)C2=O)[C@H]1C[NH3+] ZINC000252090917 544929139 /nfs/dbraw/zinc/92/91/39/544929139.db2.gz DPTVIGHUBNIYSJ-MNOVXSKESA-N 2 2 282.388 0.376 20 0 CCADLP C[C@@H]1CCC[N@@H+](CCN2C(=O)NC(C)(C)C2=O)[C@H]1C[NH3+] ZINC000252090917 544929143 /nfs/dbraw/zinc/92/91/43/544929143.db2.gz DPTVIGHUBNIYSJ-MNOVXSKESA-N 2 2 282.388 0.376 20 0 CCADLP O=C(N[C@H]1CCC[NH2+]C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000333628699 545041058 /nfs/dbraw/zinc/04/10/58/545041058.db2.gz GGVIJFRPQXCFAN-ZDUSSCGKSA-N 2 2 289.383 0.665 20 0 CCADLP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)Cn1cc[nH+]c1 ZINC000356148754 545076429 /nfs/dbraw/zinc/07/64/29/545076429.db2.gz SGQOUSUVWZAZQK-LLVKDONJSA-N 2 2 261.329 0.991 20 0 CCADLP CCC[NH+]1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC000528408100 269834694 /nfs/dbraw/zinc/83/46/94/269834694.db2.gz ITEOUOWHRNLIPM-UHFFFAOYSA-N 2 2 250.346 0.746 20 0 CCADLP [NH3+]CC1(NC(=O)Nc2ccc3[nH+]ccn3c2)CCOCC1 ZINC000528679629 269845977 /nfs/dbraw/zinc/84/59/77/269845977.db2.gz KJXROSUQAHXZFD-UHFFFAOYSA-N 2 2 289.339 0.964 20 0 CCADLP CC1(C)CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC[NH2+]1 ZINC000364284989 275840863 /nfs/dbraw/zinc/84/08/63/275840863.db2.gz UCMCIWNEAOKMNA-NSHDSACASA-N 2 2 262.357 0.656 20 0 CCADLP CC(C)[C@@H](C(=O)NC[C@H]1CC[NH2+]CC1(F)F)[NH+](C)C ZINC000449656388 275978686 /nfs/dbraw/zinc/97/86/86/275978686.db2.gz KQGDJQVQYYVCSY-MNOVXSKESA-N 2 2 277.359 0.934 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000226429528 276020748 /nfs/dbraw/zinc/02/07/48/276020748.db2.gz UZVHSAWILDVDBO-CHWSQXEVSA-N 2 2 298.431 0.016 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000226429528 276020750 /nfs/dbraw/zinc/02/07/50/276020750.db2.gz UZVHSAWILDVDBO-CHWSQXEVSA-N 2 2 298.431 0.016 20 0 CCADLP CC1(C)NC(=O)N(CC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC000333629947 276154271 /nfs/dbraw/zinc/15/42/71/276154271.db2.gz GKYQJIKGNJFISW-HNNXBMFYSA-N 2 2 294.399 0.392 20 0 CCADLP CC1(C)NC(=O)N(CC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC000333629947 276154272 /nfs/dbraw/zinc/15/42/72/276154272.db2.gz GKYQJIKGNJFISW-HNNXBMFYSA-N 2 2 294.399 0.392 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000428130108 276999585 /nfs/dbraw/zinc/99/95/85/276999585.db2.gz JHOXTHWVGLHBNF-UHFFFAOYSA-N 2 2 270.300 0.434 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377196784 277030096 /nfs/dbraw/zinc/03/00/96/277030096.db2.gz JTJMALISWMSCQP-STQMWFEESA-N 3 2 282.432 0.127 20 0 CCADLP 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OUQQFGPRADXDIC-GXTWGEPZSA-N 2 2 277.368 0.982 20 0 CCADLP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000414734511 278369512 /nfs/dbraw/zinc/36/95/12/278369512.db2.gz FUVQNBYXDXDXSZ-CQSZACIVSA-N 2 2 253.390 0.977 20 0 CCADLP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000414734511 278369514 /nfs/dbraw/zinc/36/95/14/278369514.db2.gz FUVQNBYXDXDXSZ-CQSZACIVSA-N 2 2 253.390 0.977 20 0 CCADLP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000517145803 278369691 /nfs/dbraw/zinc/36/96/91/278369691.db2.gz RNHIEXXOOZFRCO-ZDUSSCGKSA-N 3 2 254.422 0.354 20 0 CCADLP CC(C)(C)[NH2+]CC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000517145803 278369692 /nfs/dbraw/zinc/36/96/92/278369692.db2.gz RNHIEXXOOZFRCO-ZDUSSCGKSA-N 3 2 254.422 0.354 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1CN1CCOCC1 ZINC000514737703 279037733 /nfs/dbraw/zinc/03/77/33/279037733.db2.gz QVMPVLXFXOVOFL-CVEARBPZSA-N 2 2 299.459 0.486 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1CN1CCOCC1 ZINC000514737703 279037735 /nfs/dbraw/zinc/03/77/35/279037735.db2.gz QVMPVLXFXOVOFL-CVEARBPZSA-N 2 2 299.459 0.486 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000514737703 279037736 /nfs/dbraw/zinc/03/77/36/279037736.db2.gz QVMPVLXFXOVOFL-CVEARBPZSA-N 2 2 299.459 0.486 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000514737703 279037738 /nfs/dbraw/zinc/03/77/38/279037738.db2.gz QVMPVLXFXOVOFL-CVEARBPZSA-N 2 2 299.459 0.486 20 0 CCADLP CC[N@H+](C)C[C@H](O)CN1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000514737703 279037740 /nfs/dbraw/zinc/03/77/40/279037740.db2.gz QVMPVLXFXOVOFL-CVEARBPZSA-N 2 2 299.459 0.486 20 0 CCADLP CC[N@@H+](C)C[C@H](O)CN1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000514737703 279037741 /nfs/dbraw/zinc/03/77/41/279037741.db2.gz QVMPVLXFXOVOFL-CVEARBPZSA-N 2 2 299.459 0.486 20 0 CCADLP CC[N@H+](C)C[C@H]1CCN(CC[NH+]2CCOC[C@H]2C)C1 ZINC000248887744 279039633 /nfs/dbraw/zinc/03/96/33/279039633.db2.gz AIRSJXLVRVKVAB-HUUCEWRRSA-N 2 2 269.433 0.981 20 0 CCADLP CC[N@@H+](C)C[C@H]1CCN(CC[NH+]2CCOC[C@H]2C)C1 ZINC000248887744 279039634 /nfs/dbraw/zinc/03/96/34/279039634.db2.gz AIRSJXLVRVKVAB-HUUCEWRRSA-N 2 2 269.433 0.981 20 0 CCADLP CC[NH+](C)C[C@H]1CCN(CC[N@@H+]2CCOC[C@H]2C)C1 ZINC000248887744 279039636 /nfs/dbraw/zinc/03/96/36/279039636.db2.gz AIRSJXLVRVKVAB-HUUCEWRRSA-N 2 2 269.433 0.981 20 0 CCADLP CC[NH+](C)C[C@H]1CCN(CC[N@H+]2CCOC[C@H]2C)C1 ZINC000248887744 279039637 /nfs/dbraw/zinc/03/96/37/279039637.db2.gz AIRSJXLVRVKVAB-HUUCEWRRSA-N 2 2 269.433 0.981 20 0 CCADLP CC(C)C[C@H]([NH3+])CN1CC[NH+](CC(=O)NC(C)C)CC1 ZINC000414685243 279179840 /nfs/dbraw/zinc/17/98/40/279179840.db2.gz YMWWQYRGODJLEO-AWEZNQCLSA-N 2 2 284.448 0.502 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000433146828 280235973 /nfs/dbraw/zinc/23/59/73/280235973.db2.gz MOVQFCFWGSQCFP-RDBSUJKOSA-N 2 2 283.416 0.396 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000418416071 280284187 /nfs/dbraw/zinc/28/41/87/280284187.db2.gz VITVNSNVGYFURM-QWHCGFSZSA-N 2 2 286.420 0.332 20 0 CCADLP O=C1[C@H]([NH2+][C@H]2CCC[NH2+]C2)CCCN1CC(F)(F)F ZINC000415086235 280326591 /nfs/dbraw/zinc/32/65/91/280326591.db2.gz RUVJTGTUUZOZKX-VHSXEESVSA-N 2 2 279.306 0.881 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000353631686 281286302 /nfs/dbraw/zinc/28/63/02/281286302.db2.gz FPUYCCIUXJHRAV-OAHLLOKOSA-N 2 2 283.416 0.603 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000353631686 281286303 /nfs/dbraw/zinc/28/63/03/281286303.db2.gz FPUYCCIUXJHRAV-OAHLLOKOSA-N 2 2 283.416 0.603 20 0 CCADLP CC1(C)C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)CO1 ZINC000418061797 281357447 /nfs/dbraw/zinc/35/74/47/281357447.db2.gz AXXOOLZUISPHHI-STQMWFEESA-N 2 2 256.390 0.990 20 0 CCADLP CC1(C)C[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2CCO)CO1 ZINC000418061797 281357449 /nfs/dbraw/zinc/35/74/49/281357449.db2.gz AXXOOLZUISPHHI-STQMWFEESA-N 2 2 256.390 0.990 20 0 CCADLP CN(C)S(=O)(=O)c1ccccc1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000422821108 289268686 /nfs/dbraw/zinc/26/86/86/289268686.db2.gz UKJVFWPILDJHHE-STQMWFEESA-N 2 2 297.424 0.906 20 0 CCADLP Cn1cc(N2CC[C@@H]([N@@H+]3CC[C@](C)(C[NH3+])C3)C2=O)cn1 ZINC000261606508 294252786 /nfs/dbraw/zinc/25/27/86/294252786.db2.gz ARITZKJVRYXIPP-TZMCWYRMSA-N 2 2 277.372 0.196 20 0 CCADLP Cn1cc(N2CC[C@@H]([N@H+]3CC[C@](C)(C[NH3+])C3)C2=O)cn1 ZINC000261606508 294252788 /nfs/dbraw/zinc/25/27/88/294252788.db2.gz ARITZKJVRYXIPP-TZMCWYRMSA-N 2 2 277.372 0.196 20 0 CCADLP [NH3+][C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000422710198 295318587 /nfs/dbraw/zinc/31/85/87/295318587.db2.gz LBXOWVVMUXBVHZ-DGCLKSJQSA-N 2 2 267.373 0.189 20 0 CCADLP [NH3+][C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000422710198 295318589 /nfs/dbraw/zinc/31/85/89/295318589.db2.gz LBXOWVVMUXBVHZ-DGCLKSJQSA-N 2 2 267.373 0.189 20 0 CCADLP CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[NH2+]C1 ZINC000333320214 295544848 /nfs/dbraw/zinc/54/48/48/295544848.db2.gz UIBYKPKUKJXPRN-GRYCIOLGSA-N 2 2 260.403 0.684 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@H](C)[C@H]1C ZINC000399487325 545089374 /nfs/dbraw/zinc/08/93/74/545089374.db2.gz GSJBNJASFKRIJJ-FQUUOJAGSA-N 2 2 258.406 0.902 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)[C@H](C)[C@H]1C ZINC000399487325 545089375 /nfs/dbraw/zinc/08/93/75/545089375.db2.gz GSJBNJASFKRIJJ-FQUUOJAGSA-N 2 2 258.406 0.902 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)[C@H](C)[C@H]1C ZINC000399487325 545089376 /nfs/dbraw/zinc/08/93/76/545089376.db2.gz GSJBNJASFKRIJJ-FQUUOJAGSA-N 2 2 258.406 0.902 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)[C@H](C)[C@H]1C ZINC000399487325 545089377 /nfs/dbraw/zinc/08/93/77/545089377.db2.gz GSJBNJASFKRIJJ-FQUUOJAGSA-N 2 2 258.406 0.902 20 0 CCADLP C[C@H](C[NH3+])N(C)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000417517013 298533511 /nfs/dbraw/zinc/53/35/11/298533511.db2.gz IFGWZXOIKAHTEE-GRYCIOLGSA-N 2 2 272.393 0.084 20 0 CCADLP [NH3+]C1(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC000237921411 303355477 /nfs/dbraw/zinc/35/54/77/303355477.db2.gz YAKNWTMUHMPUPZ-CQSZACIVSA-N 2 2 289.379 0.667 20 0 CCADLP CC[NH+]1CCC([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000395717190 329300314 /nfs/dbraw/zinc/30/03/14/329300314.db2.gz NUSCFPBASBLIAD-CQSZACIVSA-N 3 2 255.406 0.515 20 0 CCADLP CC[NH+]1CCC([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000395717190 329300315 /nfs/dbraw/zinc/30/03/15/329300315.db2.gz NUSCFPBASBLIAD-CQSZACIVSA-N 3 2 255.406 0.515 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000575320094 335093210 /nfs/dbraw/zinc/09/32/10/335093210.db2.gz LZQANQGZIHSAAZ-GFCCVEGCSA-N 2 2 288.355 0.769 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC2CC2)CC1 ZINC000175573625 327028557 /nfs/dbraw/zinc/02/85/57/327028557.db2.gz WTYVWNBQQCRYHZ-UHFFFAOYSA-N 2 2 268.405 0.722 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[N@H+](C)CCCc1c[nH+]cn1C ZINC000584121792 327044496 /nfs/dbraw/zinc/04/44/96/327044496.db2.gz XXRHLRBCRIBLAL-NSHDSACASA-N 2 2 273.402 0.718 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000584121792 327044497 /nfs/dbraw/zinc/04/44/97/327044497.db2.gz XXRHLRBCRIBLAL-NSHDSACASA-N 2 2 273.402 0.718 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC2(CCO2)CC1 ZINC000584180519 327060801 /nfs/dbraw/zinc/06/08/01/327060801.db2.gz RGNPLBOGGFGOEO-ZDUSSCGKSA-N 2 2 272.389 0.180 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC2(CCO2)CC1 ZINC000584180519 327060803 /nfs/dbraw/zinc/06/08/03/327060803.db2.gz RGNPLBOGGFGOEO-ZDUSSCGKSA-N 2 2 272.389 0.180 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000565988872 327103263 /nfs/dbraw/zinc/10/32/63/327103263.db2.gz IHQFLNHMYYXISP-CQSZACIVSA-N 2 2 283.416 0.290 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000565988872 327103265 /nfs/dbraw/zinc/10/32/65/327103265.db2.gz IHQFLNHMYYXISP-CQSZACIVSA-N 2 2 283.416 0.290 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[NH+](Cc2ccco2)CC1 ZINC000584279841 327211170 /nfs/dbraw/zinc/21/11/70/327211170.db2.gz SFCFWWIHHXVYHQ-UHFFFAOYSA-N 2 2 274.324 0.821 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000583389705 327339681 /nfs/dbraw/zinc/33/96/81/327339681.db2.gz VCAPSAHDWLVUOT-WOPDTQHZSA-N 2 2 298.349 0.792 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000583389705 327339683 /nfs/dbraw/zinc/33/96/83/327339683.db2.gz VCAPSAHDWLVUOT-WOPDTQHZSA-N 2 2 298.349 0.792 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000583389705 327339685 /nfs/dbraw/zinc/33/96/85/327339685.db2.gz VCAPSAHDWLVUOT-WOPDTQHZSA-N 2 2 298.349 0.792 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000583389705 327339686 /nfs/dbraw/zinc/33/96/86/327339686.db2.gz VCAPSAHDWLVUOT-WOPDTQHZSA-N 2 2 298.349 0.792 20 0 CCADLP C[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)c1[nH]cc[nH+]1 ZINC000582454977 329029881 /nfs/dbraw/zinc/02/98/81/329029881.db2.gz YEECHFPDGZZYRQ-WDEREUQCSA-N 2 2 266.345 0.555 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000582854756 329280618 /nfs/dbraw/zinc/28/06/18/329280618.db2.gz XPUYWQDWAJEBNI-NSHDSACASA-N 2 2 262.357 0.895 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000582854756 329280620 /nfs/dbraw/zinc/28/06/20/329280620.db2.gz XPUYWQDWAJEBNI-NSHDSACASA-N 2 2 262.357 0.895 20 0 CCADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C[C@@H](O)Cn1cccn1)CCC2 ZINC000575981489 335137701 /nfs/dbraw/zinc/13/77/01/335137701.db2.gz OIHAQTYNMDASPO-ZIAGYGMSSA-N 2 2 289.383 0.916 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000553391541 334381911 /nfs/dbraw/zinc/38/19/11/334381911.db2.gz BUTHFORAXGQTAP-LBPRGKRZSA-N 2 2 251.374 0.635 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000553391541 334381912 /nfs/dbraw/zinc/38/19/12/334381912.db2.gz BUTHFORAXGQTAP-LBPRGKRZSA-N 2 2 251.374 0.635 20 0 CCADLP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000553555979 334391214 /nfs/dbraw/zinc/39/12/14/334391214.db2.gz RSDYJQDLOIGQQQ-CQSZACIVSA-N 2 2 296.459 0.470 20 0 CCADLP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000553555979 334391216 /nfs/dbraw/zinc/39/12/16/334391216.db2.gz RSDYJQDLOIGQQQ-CQSZACIVSA-N 2 2 296.459 0.470 20 0 CCADLP CC(C)CNC(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000573060797 334904404 /nfs/dbraw/zinc/90/44/04/334904404.db2.gz NGJKWCOOZVHIMK-UHFFFAOYSA-N 2 2 265.361 0.304 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCS[C@H](C(C)C)C1 ZINC000576422233 335202051 /nfs/dbraw/zinc/20/20/51/335202051.db2.gz OBGFFCPIUTTWOO-KGLIPLIRSA-N 2 2 290.473 0.999 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCS[C@H](C(C)C)C1 ZINC000576422233 335202053 /nfs/dbraw/zinc/20/20/53/335202053.db2.gz OBGFFCPIUTTWOO-KGLIPLIRSA-N 2 2 290.473 0.999 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCS[C@H](C(C)C)C1 ZINC000576422233 335202055 /nfs/dbraw/zinc/20/20/55/335202055.db2.gz OBGFFCPIUTTWOO-KGLIPLIRSA-N 2 2 290.473 0.999 20 0 CCADLP Cn1c[nH+]cc1CN(CC[NH+](C)C)CC[NH+](C)C ZINC000576433382 335202874 /nfs/dbraw/zinc/20/28/74/335202874.db2.gz OKCAMUOXYBSNTD-UHFFFAOYSA-N 3 2 253.394 0.345 20 0 CCADLP C[C@@H]1CCCC[C@@H]1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000576847947 335255527 /nfs/dbraw/zinc/25/55/27/335255527.db2.gz JVJSTSUTHBMPMU-UPJWGTAASA-N 2 2 268.405 0.849 20 0 CCADLP C[C@@H]1CCCC[C@@H]1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000576847947 335255529 /nfs/dbraw/zinc/25/55/29/335255529.db2.gz JVJSTSUTHBMPMU-UPJWGTAASA-N 2 2 268.405 0.849 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000577222642 335325599 /nfs/dbraw/zinc/32/55/99/335325599.db2.gz PVVUNVCHYXHRRW-CYBMUJFWSA-N 2 2 250.346 0.874 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000577526340 335364626 /nfs/dbraw/zinc/36/46/26/335364626.db2.gz WYVVVYGBGZYEOJ-GFCCVEGCSA-N 2 2 273.340 0.850 20 0 CCADLP CCOC(=O)COCC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000577528492 335365317 /nfs/dbraw/zinc/36/53/17/335365317.db2.gz XEQVEOWXLNAHPU-QWHCGFSZSA-N 2 2 270.373 0.735 20 0 CCADLP CCOC(=O)COCC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000577528492 335365315 /nfs/dbraw/zinc/36/53/15/335365315.db2.gz XEQVEOWXLNAHPU-QWHCGFSZSA-N 2 2 270.373 0.735 20 0 CCADLP CCOC(=O)COCC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000577528492 335365316 /nfs/dbraw/zinc/36/53/16/335365316.db2.gz XEQVEOWXLNAHPU-QWHCGFSZSA-N 2 2 270.373 0.735 20 0 CCADLP CCOC(=O)COCC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000577528492 335365318 /nfs/dbraw/zinc/36/53/18/335365318.db2.gz XEQVEOWXLNAHPU-QWHCGFSZSA-N 2 2 270.373 0.735 20 0 CCADLP Cc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])s1 ZINC000577723961 335392196 /nfs/dbraw/zinc/39/21/96/335392196.db2.gz QFFQMYDAZZCRNS-LLVKDONJSA-N 2 2 282.413 0.841 20 0 CCADLP Cc1ccc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])s1 ZINC000577723961 335392198 /nfs/dbraw/zinc/39/21/98/335392198.db2.gz QFFQMYDAZZCRNS-LLVKDONJSA-N 2 2 282.413 0.841 20 0 CCADLP [NH3+][C@@H](C(=O)NC[C@@H]1C[NH2+]CCCO1)c1c(F)cccc1F ZINC000578236242 335590122 /nfs/dbraw/zinc/59/01/22/335590122.db2.gz FSUZBFAECZFISR-TVQRCGJNSA-N 2 2 299.321 0.459 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCOC[C@H]1CCCO1 ZINC000578617086 335654192 /nfs/dbraw/zinc/65/41/92/335654192.db2.gz UKKZRNNIRAMYQX-HZSPNIEDSA-N 2 2 272.389 0.539 20 0 CCADLP CCS(=O)(=O)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000183169372 335868196 /nfs/dbraw/zinc/86/81/96/335868196.db2.gz QEVNNAHZQFTKKS-UHFFFAOYSA-N 2 2 286.401 0.241 20 0 CCADLP C[C@@]1(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CCC[NH2+]1 ZINC000580776365 335965655 /nfs/dbraw/zinc/96/56/55/335965655.db2.gz SCYHJBLFALADBP-AWEZNQCLSA-N 2 2 277.372 0.196 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])[C@H]([NH3+])c1ccccc1 ZINC000581061677 336001925 /nfs/dbraw/zinc/00/19/25/336001925.db2.gz PZLSLCJBNUWAHX-CFVMTHIKSA-N 3 2 290.411 0.424 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])[C@H]([NH3+])c1ccccc1 ZINC000581061677 336001926 /nfs/dbraw/zinc/00/19/26/336001926.db2.gz PZLSLCJBNUWAHX-CFVMTHIKSA-N 3 2 290.411 0.424 20 0 CCADLP C[C@@H](CNC(=O)[C@H]([NH3+])c1cscn1)Cn1cc[nH+]c1 ZINC000581133684 336013272 /nfs/dbraw/zinc/01/32/72/336013272.db2.gz HUETXRYVPWHPOD-GXSJLCMTSA-N 2 2 279.369 0.792 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCC(C)(C)O2)[C@@H](C[NH3+])C1 ZINC000581240788 336029232 /nfs/dbraw/zinc/02/92/32/336029232.db2.gz ILSWXCYBCYLVQV-RYUDHWBXSA-N 2 2 284.404 0.228 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCC(C)(C)O2)[C@@H](C[NH3+])C1 ZINC000581240788 336029233 /nfs/dbraw/zinc/02/92/33/336029233.db2.gz ILSWXCYBCYLVQV-RYUDHWBXSA-N 2 2 284.404 0.228 20 0 CCADLP CCC[C@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])OC ZINC000581598015 336109550 /nfs/dbraw/zinc/10/95/50/336109550.db2.gz XITRHQAXLHNCBZ-VXGBXAGGSA-N 2 2 272.393 0.086 20 0 CCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](C)C[C@H]1C[NH3+] ZINC000581656599 336118756 /nfs/dbraw/zinc/11/87/56/336118756.db2.gz RVNJJOPZFXPRQA-UONOGXRCSA-N 3 2 297.447 0.145 20 0 CCADLP CC[NH+]1CCCC[C@H]1CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000581656599 336118757 /nfs/dbraw/zinc/11/87/57/336118757.db2.gz RVNJJOPZFXPRQA-UONOGXRCSA-N 3 2 297.447 0.145 20 0 CCADLP CC[NH+]1CCCC[C@H]1CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000581656599 336118758 /nfs/dbraw/zinc/11/87/58/336118758.db2.gz RVNJJOPZFXPRQA-UONOGXRCSA-N 3 2 297.447 0.145 20 0 CCADLP COc1ccccc1CNC(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000384760937 336130726 /nfs/dbraw/zinc/13/07/26/336130726.db2.gz QCFNJZQOCDAVAL-UHFFFAOYSA-N 2 2 277.368 0.733 20 0 CCADLP COc1ccccc1CNC(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000384760937 336130727 /nfs/dbraw/zinc/13/07/27/336130727.db2.gz QCFNJZQOCDAVAL-UHFFFAOYSA-N 2 2 277.368 0.733 20 0 CCADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@H]1CC[NH2+]1 ZINC000384778118 336131055 /nfs/dbraw/zinc/13/10/55/336131055.db2.gz LLGVAQPGXCWNAI-GFCCVEGCSA-N 2 2 260.341 0.529 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]([NH3+])c2ccccc2)CCO1 ZINC000581886827 336160145 /nfs/dbraw/zinc/16/01/45/336160145.db2.gz SYAKXTNEWRSGOR-JSGCOSHPSA-N 2 2 277.368 0.523 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]([NH3+])c2ccccc2)CCO1 ZINC000581886827 336160146 /nfs/dbraw/zinc/16/01/46/336160146.db2.gz SYAKXTNEWRSGOR-JSGCOSHPSA-N 2 2 277.368 0.523 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCS[C@H](C)[C@@H]1C ZINC000386445678 336174812 /nfs/dbraw/zinc/17/48/12/336174812.db2.gz QOWOACPTEWNXCR-XQQFMLRXSA-N 2 2 276.446 0.751 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCS[C@H](C)[C@@H]1C ZINC000386445678 336174814 /nfs/dbraw/zinc/17/48/14/336174814.db2.gz QOWOACPTEWNXCR-XQQFMLRXSA-N 2 2 276.446 0.751 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCS[C@H](C)[C@@H]1C ZINC000386445678 336174809 /nfs/dbraw/zinc/17/48/09/336174809.db2.gz QOWOACPTEWNXCR-XQQFMLRXSA-N 2 2 276.446 0.751 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCS[C@H](C)[C@@H]1C ZINC000386445678 336174810 /nfs/dbraw/zinc/17/48/10/336174810.db2.gz QOWOACPTEWNXCR-XQQFMLRXSA-N 2 2 276.446 0.751 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1CNC[C@H](O)C[NH+]1CCOCC1 ZINC000581998577 336188031 /nfs/dbraw/zinc/18/80/31/336188031.db2.gz OLLDVTDUDZBZME-GJZGRUSLSA-N 2 2 285.432 0.144 20 0 CCADLP CC[N@H+]1CCCC[C@H]1CNC[C@H](O)C[NH+]1CCOCC1 ZINC000581998577 336188033 /nfs/dbraw/zinc/18/80/33/336188033.db2.gz OLLDVTDUDZBZME-GJZGRUSLSA-N 2 2 285.432 0.144 20 0 CCADLP [NH3+][C@H]1CCC[C@H](NC(=O)NCCCn2cc[nH+]c2)C1 ZINC000416440721 545093639 /nfs/dbraw/zinc/09/36/39/545093639.db2.gz TUIMDVAAANQVPZ-RYUDHWBXSA-N 2 2 265.361 0.842 20 0 CCADLP COC(=O)c1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c[nH]1 ZINC000427135144 533801079 /nfs/dbraw/zinc/80/10/79/533801079.db2.gz ANYFNOQHIASXIX-NWDGAFQWSA-N 2 2 263.341 0.985 20 0 CCADLP COC(=O)c1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c[nH]1 ZINC000427135144 533801089 /nfs/dbraw/zinc/80/10/89/533801089.db2.gz ANYFNOQHIASXIX-NWDGAFQWSA-N 2 2 263.341 0.985 20 0 CCADLP CC1(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCC1 ZINC000434758963 545095101 /nfs/dbraw/zinc/09/51/01/545095101.db2.gz UZPHDQCQKOOSJI-CQSZACIVSA-N 2 2 295.427 0.699 20 0 CCADLP CS[C@@H]1CC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000425366139 533999781 /nfs/dbraw/zinc/99/97/81/533999781.db2.gz ZOJRLTLPHFMHFI-GRYCIOLGSA-N 2 2 271.430 0.810 20 0 CCADLP CS[C@@H]1CC[C@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000425366139 533999790 /nfs/dbraw/zinc/99/97/90/533999790.db2.gz ZOJRLTLPHFMHFI-GRYCIOLGSA-N 2 2 271.430 0.810 20 0 CCADLP C[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000492821939 534277646 /nfs/dbraw/zinc/27/76/46/534277646.db2.gz FZZKQNMNEGLIDU-DEOOVVBZSA-N 2 2 290.367 0.602 20 0 CCADLP C[C@@H]1CN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)C[C@H](C)[NH+]1C ZINC000454638859 534312410 /nfs/dbraw/zinc/31/24/10/534312410.db2.gz BTAAWZWRKRDFIW-MJBXVCDLSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@@H]1CN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)C[C@H](C)[NH+]1C ZINC000454638859 534312411 /nfs/dbraw/zinc/31/24/11/534312411.db2.gz BTAAWZWRKRDFIW-MJBXVCDLSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCOC[C@@H]2C)C[C@H](C)[N@@H+]1C ZINC000454638859 534312413 /nfs/dbraw/zinc/31/24/13/534312413.db2.gz 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C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)CC1 ZINC000669699149 545219561 /nfs/dbraw/zinc/21/95/61/545219561.db2.gz SXNARQDBLMJCBX-NFAWXSAZSA-N 2 2 265.401 0.929 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000423605591 528419198 /nfs/dbraw/zinc/41/91/98/528419198.db2.gz KELFJQYNUIGZJC-TZMCWYRMSA-N 2 2 283.416 0.602 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000423605591 528419200 /nfs/dbraw/zinc/41/92/00/528419200.db2.gz KELFJQYNUIGZJC-TZMCWYRMSA-N 2 2 283.416 0.602 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000423580883 528474610 /nfs/dbraw/zinc/47/46/10/528474610.db2.gz AGLRNCXNSXUXCC-ZIAGYGMSSA-N 2 2 283.416 0.746 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000423580883 528474615 /nfs/dbraw/zinc/47/46/15/528474615.db2.gz AGLRNCXNSXUXCC-ZIAGYGMSSA-N 2 2 283.416 0.746 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423611162 528475383 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ZINC000672154643 545263764 /nfs/dbraw/zinc/26/37/64/545263764.db2.gz MWCWGDQWHMSPRC-NSHDSACASA-N 2 2 250.346 0.656 20 0 CCADLP CCC[C@@H](O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000450602842 529026461 /nfs/dbraw/zinc/02/64/61/529026461.db2.gz RWUCPNHUEKSYBX-GFCCVEGCSA-N 2 2 252.362 0.703 20 0 CCADLP CC[N@@H+]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000673036050 545278121 /nfs/dbraw/zinc/27/81/21/545278121.db2.gz KSTUFFDLOMMAOR-NSHDSACASA-N 2 2 250.346 0.515 20 0 CCADLP CC[N@H+]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC000673036050 545278122 /nfs/dbraw/zinc/27/81/22/545278122.db2.gz KSTUFFDLOMMAOR-NSHDSACASA-N 2 2 250.346 0.515 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@](O)(CC)C2)CC1 ZINC000425931273 529130864 /nfs/dbraw/zinc/13/08/64/529130864.db2.gz PPKKCIFPMPRQIQ-HIFRSBDPSA-N 2 2 283.416 0.386 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@](O)(CC)C2)CC1 ZINC000425931273 529130865 /nfs/dbraw/zinc/13/08/65/529130865.db2.gz PPKKCIFPMPRQIQ-HIFRSBDPSA-N 2 2 283.416 0.386 20 0 CCADLP COCC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000673661620 545290118 /nfs/dbraw/zinc/29/01/18/545290118.db2.gz JSBJTXGIPOLFTB-GFCCVEGCSA-N 2 2 266.345 0.110 20 0 CCADLP COCC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000673661620 545290119 /nfs/dbraw/zinc/29/01/19/545290119.db2.gz JSBJTXGIPOLFTB-GFCCVEGCSA-N 2 2 266.345 0.110 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000673668347 545290672 /nfs/dbraw/zinc/29/06/72/545290672.db2.gz KPCXDHYJWPSTTD-GFCCVEGCSA-N 2 2 274.324 0.994 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000673668347 545290673 /nfs/dbraw/zinc/29/06/73/545290673.db2.gz KPCXDHYJWPSTTD-GFCCVEGCSA-N 2 2 274.324 0.994 20 0 CCADLP C[C@H](C(=O)N(C)CCCC[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000673840213 545293544 /nfs/dbraw/zinc/29/35/44/545293544.db2.gz GLAKTAFBUCMFSQ-CQSZACIVSA-N 2 2 284.448 0.423 20 0 CCADLP CC[C@@H](C)[NH+]1CCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000456540376 529353875 /nfs/dbraw/zinc/35/38/75/529353875.db2.gz ZQTOXDBSBSRSBO-HUUCEWRRSA-N 2 2 296.459 0.565 20 0 CCADLP CCC[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000158720825 534933283 /nfs/dbraw/zinc/93/32/83/534933283.db2.gz JASYXCDOSLQYKA-UHFFFAOYSA-N 2 2 291.399 0.845 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674677802 545309778 /nfs/dbraw/zinc/30/97/78/545309778.db2.gz WQBOEPFYEJYBNJ-CYBMUJFWSA-N 2 2 280.372 0.673 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674677802 545309779 /nfs/dbraw/zinc/30/97/79/545309779.db2.gz WQBOEPFYEJYBNJ-CYBMUJFWSA-N 2 2 280.372 0.673 20 0 CCADLP COCc1ccc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)o1 ZINC000675761279 545331384 /nfs/dbraw/zinc/33/13/84/545331384.db2.gz DTXPMIFDKSUSSX-UHFFFAOYSA-N 2 2 281.356 0.290 20 0 CCADLP CCOc1cccc(C[NH2+]C[C@](C)(O)C[NH+](C)C)n1 ZINC000344893198 535460942 /nfs/dbraw/zinc/46/09/42/535460942.db2.gz SRZZGGGFETVXPX-AWEZNQCLSA-N 2 2 267.373 0.883 20 0 CCADLP C[C@@H](NC(=O)NCCCn1cc[nH+]c1)[C@H]1C[N@H+](C)CCO1 ZINC000676233934 545337367 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CCN1CC[NH+](CCC(=O)N2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC000677182829 545360091 /nfs/dbraw/zinc/36/00/91/545360091.db2.gz MFFMZQJJYVXRSB-HNNXBMFYSA-N 2 2 296.459 0.567 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C2CCN(C(=O)COC)CC2)C1 ZINC000358029841 535781734 /nfs/dbraw/zinc/78/17/34/535781734.db2.gz WSDWORISOHRLOZ-GXTWGEPZSA-N 2 2 283.416 0.554 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C2CCN(C(=O)COC)CC2)C1 ZINC000358029841 535781738 /nfs/dbraw/zinc/78/17/38/535781738.db2.gz WSDWORISOHRLOZ-GXTWGEPZSA-N 2 2 283.416 0.554 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000677195399 545360778 /nfs/dbraw/zinc/36/07/78/545360778.db2.gz UJWXTPYTMXZIRN-UONOGXRCSA-N 2 2 282.432 0.175 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@@H](C)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000677195399 545360779 /nfs/dbraw/zinc/36/07/79/545360779.db2.gz UJWXTPYTMXZIRN-UONOGXRCSA-N 2 2 282.432 0.175 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+]([C@H]2CCCOC2)CC1 ZINC000677695194 545371014 /nfs/dbraw/zinc/37/10/14/545371014.db2.gz JQGMUMSDDBAUFP-LBPRGKRZSA-N 2 2 250.346 0.721 20 0 CCADLP O=C(NC1CC[NH+](CCn2cc[nH+]c2)CC1)C1CC1 ZINC000677981202 545379556 /nfs/dbraw/zinc/37/95/56/545379556.db2.gz XOWTVVMUYBUARF-UHFFFAOYSA-N 2 2 262.357 0.874 20 0 CCADLP O[C@@H]1CCC[C@H]1[NH+]1CCN(CCn2cc[nH+]c2)CC1 ZINC000677984251 545380298 /nfs/dbraw/zinc/38/02/98/545380298.db2.gz RINLBPFZIHUWPV-ZIAGYGMSSA-N 2 2 264.373 0.414 20 0 CCADLP CS(=O)(=O)Nc1cccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000678343630 545389289 /nfs/dbraw/zinc/38/92/89/545389289.db2.gz VNKDZRHUEKRGNE-CHWSQXEVSA-N 2 2 295.408 0.709 20 0 CCADLP C[N@H+](CCNc1nc(N2CCOCC2)cc[nH+]1)C1CC1 ZINC000678710764 545396301 /nfs/dbraw/zinc/39/63/01/545396301.db2.gz IGRZNOTVKZSXPV-UHFFFAOYSA-N 2 2 277.372 0.819 20 0 CCADLP C[N@@H+](CCNc1nc(N2CCOCC2)cc[nH+]1)C1CC1 ZINC000678710764 545396302 /nfs/dbraw/zinc/39/63/02/545396302.db2.gz IGRZNOTVKZSXPV-UHFFFAOYSA-N 2 2 277.372 0.819 20 0 CCADLP C[NH2+][C@H](C(=O)NCc1cn2ccccc2[nH+]1)c1cnn(C)c1 ZINC000262378235 536384645 /nfs/dbraw/zinc/38/46/45/536384645.db2.gz MQLSFCNZNTYTBK-AWEZNQCLSA-N 2 2 298.350 0.645 20 0 CCADLP C[NH+]1CCN(c2ncc(C[NH+]3CCC([NH3+])CC3)cn2)CC1 ZINC000346654081 536426233 /nfs/dbraw/zinc/42/62/33/536426233.db2.gz RGZOYVMTYDJIPE-UHFFFAOYSA-N 3 2 290.415 0.152 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1F ZINC000679224447 545404224 /nfs/dbraw/zinc/40/42/24/545404224.db2.gz SQUNJBVIPKRPPZ-NWDGAFQWSA-N 2 2 257.353 0.440 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1F ZINC000679224447 545404225 /nfs/dbraw/zinc/40/42/25/545404225.db2.gz SQUNJBVIPKRPPZ-NWDGAFQWSA-N 2 2 257.353 0.440 20 0 CCADLP COC[C@@H]([NH3+])C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000262163927 536662347 /nfs/dbraw/zinc/66/23/47/536662347.db2.gz AFQJNEUTXCWGLX-LLVKDONJSA-N 2 2 262.313 0.233 20 0 CCADLP Cn1nnnc1CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000680133290 545423215 /nfs/dbraw/zinc/42/32/15/545423215.db2.gz IXNNKTPDVWSZLU-UHFFFAOYSA-N 2 2 289.368 0.790 20 0 CCADLP COc1ccc(NC(=O)CC[N@@H+]2CCO[C@H](C[NH3+])C2)cc1 ZINC000358116244 536759665 /nfs/dbraw/zinc/75/96/65/536759665.db2.gz GQSFUHFHRABRCW-CQSZACIVSA-N 2 2 293.367 0.683 20 0 CCADLP COc1ccc(NC(=O)CC[N@H+]2CCO[C@H](C[NH3+])C2)cc1 ZINC000358116244 536759672 /nfs/dbraw/zinc/75/96/72/536759672.db2.gz GQSFUHFHRABRCW-CQSZACIVSA-N 2 2 293.367 0.683 20 0 CCADLP COC(C)(C)CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000346194918 536883605 /nfs/dbraw/zinc/88/36/05/536883605.db2.gz PHMPNFXFYSAJGA-UHFFFAOYSA-N 2 2 285.432 0.944 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682498868 545480893 /nfs/dbraw/zinc/48/08/93/545480893.db2.gz DTVVSOCGWPQGCH-LBPRGKRZSA-N 2 2 264.373 0.902 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682498868 545480894 /nfs/dbraw/zinc/48/08/94/545480894.db2.gz DTVVSOCGWPQGCH-LBPRGKRZSA-N 2 2 264.373 0.902 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC1[C@H]2C[N@H+](C/C=C\Cl)C[C@@H]12 ZINC000962291235 649897575 /nfs/dbraw/zinc/89/75/75/649897575.db2.gz DXLUMMYWDCYNDZ-OXNXRWSJSA-N 2 2 294.786 0.762 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC1[C@H]2C[N@@H+](C/C=C\Cl)C[C@@H]12 ZINC000962291235 649897578 /nfs/dbraw/zinc/89/75/78/649897578.db2.gz DXLUMMYWDCYNDZ-OXNXRWSJSA-N 2 2 294.786 0.762 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCN(C=O)CC1 ZINC000788432503 581110864 /nfs/dbraw/zinc/11/08/64/581110864.db2.gz YLFDKEAJKAMJDC-CQSZACIVSA-N 2 2 269.389 0.308 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C1CCN(C=O)CC1 ZINC000788432503 581110865 /nfs/dbraw/zinc/11/08/65/581110865.db2.gz YLFDKEAJKAMJDC-CQSZACIVSA-N 2 2 269.389 0.308 20 0 CCADLP CC[C@@H]1NC(=O)N([C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000777651755 581128623 /nfs/dbraw/zinc/12/86/23/581128623.db2.gz FKGZLXOPLCHTRC-STQMWFEESA-N 2 2 294.399 0.485 20 0 CCADLP CC[C@@H]1NC(=O)N([C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1=O ZINC000777651755 581128625 /nfs/dbraw/zinc/12/86/25/581128625.db2.gz FKGZLXOPLCHTRC-STQMWFEESA-N 2 2 294.399 0.485 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)NCCCn2cc[nH+]c2)CCO1 ZINC000726258136 581234492 /nfs/dbraw/zinc/23/44/92/581234492.db2.gz CQXDFSBCLGVLJN-ZDUSSCGKSA-N 2 2 295.387 0.293 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)NCCCn2cc[nH+]c2)CCO1 ZINC000726258136 581234495 /nfs/dbraw/zinc/23/44/95/581234495.db2.gz CQXDFSBCLGVLJN-ZDUSSCGKSA-N 2 2 295.387 0.293 20 0 CCADLP CO[C@@H]1CC(=O)N(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000793745122 581310576 /nfs/dbraw/zinc/31/05/76/581310576.db2.gz MJJPUSXFUGEWAQ-TZMCWYRMSA-N 2 2 267.373 0.219 20 0 CCADLP CO[C@@H]1CC(=O)N(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000793745122 581310577 /nfs/dbraw/zinc/31/05/77/581310577.db2.gz MJJPUSXFUGEWAQ-TZMCWYRMSA-N 2 2 267.373 0.219 20 0 CCADLP CO[C@@H]1CC(=O)N(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC000793745122 581310580 /nfs/dbraw/zinc/31/05/80/581310580.db2.gz MJJPUSXFUGEWAQ-TZMCWYRMSA-N 2 2 267.373 0.219 20 0 CCADLP CO[C@@H]1CC(=O)N(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)C1 ZINC000793745122 581310582 /nfs/dbraw/zinc/31/05/82/581310582.db2.gz MJJPUSXFUGEWAQ-TZMCWYRMSA-N 2 2 267.373 0.219 20 0 CCADLP C[C@H]1C[N@H+](CN2C[C@@H](c3c[nH+]cn3C)CC2=O)CCCO1 ZINC000783985226 581369985 /nfs/dbraw/zinc/36/99/85/581369985.db2.gz TXXHIXQDQZPMOG-STQMWFEESA-N 2 2 292.383 0.804 20 0 CCADLP C[C@H]1C[N@@H+](CN2C[C@@H](c3c[nH+]cn3C)CC2=O)CCCO1 ZINC000783985226 581369987 /nfs/dbraw/zinc/36/99/87/581369987.db2.gz TXXHIXQDQZPMOG-STQMWFEESA-N 2 2 292.383 0.804 20 0 CCADLP C[S@](=O)CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000795099227 581398521 /nfs/dbraw/zinc/39/85/21/581398521.db2.gz FACAGAAEEHNGGI-KRWDZBQOSA-N 2 2 253.371 0.582 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH+]2CCCC2)C[C@]2(CCCOC2)O1 ZINC000796611574 581446317 /nfs/dbraw/zinc/44/63/17/581446317.db2.gz KIUAWEVGWUJHNF-OAGGEKHMSA-N 2 2 298.427 0.713 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+]2CCCC2)C[C@]2(CCCOC2)O1 ZINC000796611574 581446320 /nfs/dbraw/zinc/44/63/20/581446320.db2.gz KIUAWEVGWUJHNF-OAGGEKHMSA-N 2 2 298.427 0.713 20 0 CCADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1CCC(=O)NC1=O ZINC000765961703 581541927 /nfs/dbraw/zinc/54/19/27/581541927.db2.gz DXKMIEOIXVTXIK-NEPJUHHUSA-N 2 2 267.373 0.598 20 0 CCADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1CCC(=O)NC1=O ZINC000765961703 581541929 /nfs/dbraw/zinc/54/19/29/581541929.db2.gz DXKMIEOIXVTXIK-NEPJUHHUSA-N 2 2 267.373 0.598 20 0 CCADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@H]1CCC(=O)NC1=O ZINC000765961703 581541931 /nfs/dbraw/zinc/54/19/31/581541931.db2.gz DXKMIEOIXVTXIK-NEPJUHHUSA-N 2 2 267.373 0.598 20 0 CCADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@H]1CCC(=O)NC1=O ZINC000765961703 581541932 /nfs/dbraw/zinc/54/19/32/581541932.db2.gz DXKMIEOIXVTXIK-NEPJUHHUSA-N 2 2 267.373 0.598 20 0 CCADLP Cn1cc[nH+]c1CN1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000734150250 581546204 /nfs/dbraw/zinc/54/62/04/581546204.db2.gz UBIFFJYBXBIWBU-CYBMUJFWSA-N 2 2 264.373 0.309 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000729351097 581576825 /nfs/dbraw/zinc/57/68/25/581576825.db2.gz UBTPCQXCARMEOD-KBPBESRZSA-N 2 2 292.383 0.643 20 0 CCADLP C[C@@H](CNC(=O)NCC[N@@H+]1CCO[C@@H](C)C1)[NH+](C)C1CC1 ZINC000729604968 581606216 /nfs/dbraw/zinc/60/62/16/581606216.db2.gz DFTPLZWZGBKITE-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H](CNC(=O)NCC[N@H+]1CCO[C@@H](C)C1)[NH+](C)C1CC1 ZINC000729604968 581606219 /nfs/dbraw/zinc/60/62/19/581606219.db2.gz DFTPLZWZGBKITE-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H](CNC(=O)NCC[NH+]1CCO[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000729604968 581606222 /nfs/dbraw/zinc/60/62/22/581606222.db2.gz DFTPLZWZGBKITE-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H](CNC(=O)NCC[NH+]1CCO[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000729604968 581606226 /nfs/dbraw/zinc/60/62/26/581606226.db2.gz DFTPLZWZGBKITE-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCC(=O)C2CC2)CC1 ZINC000767369933 581609326 /nfs/dbraw/zinc/60/93/26/581609326.db2.gz IUIFQEAJBZVBKL-UHFFFAOYSA-N 2 2 295.427 0.842 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000729929491 581624066 /nfs/dbraw/zinc/62/40/66/581624066.db2.gz YCACDVWIEPZWAH-CABCVRRESA-N 2 2 278.400 0.977 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000729929491 581624068 /nfs/dbraw/zinc/62/40/68/581624068.db2.gz YCACDVWIEPZWAH-CABCVRRESA-N 2 2 278.400 0.977 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000729929491 581624069 /nfs/dbraw/zinc/62/40/69/581624069.db2.gz YCACDVWIEPZWAH-CABCVRRESA-N 3 2 278.400 0.977 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000729929491 581624070 /nfs/dbraw/zinc/62/40/70/581624070.db2.gz YCACDVWIEPZWAH-CABCVRRESA-N 3 2 278.400 0.977 20 0 CCADLP COC(=O)c1ncn(C[N@H+](C)CCCn2cc[nH+]c2)n1 ZINC000767754755 581629143 /nfs/dbraw/zinc/62/91/43/581629143.db2.gz GRAMGVGBUIENMX-UHFFFAOYSA-N 2 2 278.316 0.241 20 0 CCADLP COC(=O)c1ncn(C[N@@H+](C)CCCn2cc[nH+]c2)n1 ZINC000767754755 581629146 /nfs/dbraw/zinc/62/91/46/581629146.db2.gz GRAMGVGBUIENMX-UHFFFAOYSA-N 2 2 278.316 0.241 20 0 CCADLP COC(=O)C[C@@]1([NH2+]CCn2cc[nH+]c2)CCCOC1 ZINC000770692596 581666312 /nfs/dbraw/zinc/66/63/12/581666312.db2.gz OSDPDPTUGBYCEF-ZDUSSCGKSA-N 2 2 267.329 0.585 20 0 CCADLP NC(=O)C[N@@H+]1CCCN(c2cc[nH+]cc2Cl)CC1 ZINC000757844836 581711584 /nfs/dbraw/zinc/71/15/84/581711584.db2.gz XETXCGAJDDSSES-UHFFFAOYSA-N 2 2 268.748 0.732 20 0 CCADLP NC(=O)C[N@H+]1CCCN(c2cc[nH+]cc2Cl)CC1 ZINC000757844836 581711588 /nfs/dbraw/zinc/71/15/88/581711588.db2.gz XETXCGAJDDSSES-UHFFFAOYSA-N 2 2 268.748 0.732 20 0 CCADLP COCC[N@H+](C)CCNC(=O)c1cccc2[nH+]ccn21 ZINC000770418367 581742339 /nfs/dbraw/zinc/74/23/39/581742339.db2.gz RZDAXCJXKJKNKQ-UHFFFAOYSA-N 2 2 276.340 0.642 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)c1cccc2[nH+]ccn21 ZINC000770418367 581742341 /nfs/dbraw/zinc/74/23/41/581742341.db2.gz RZDAXCJXKJKNKQ-UHFFFAOYSA-N 2 2 276.340 0.642 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000759634423 581812419 /nfs/dbraw/zinc/81/24/19/581812419.db2.gz WVMFLFVDXSEVSM-CYBMUJFWSA-N 2 2 283.416 0.386 20 0 CCADLP C/C=C\C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732839014 581851785 /nfs/dbraw/zinc/85/17/85/581851785.db2.gz OOHKDQWWTDBJTA-MVZIDQBPSA-N 2 2 251.374 0.847 20 0 CCADLP C/C=C\C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732839014 581851786 /nfs/dbraw/zinc/85/17/86/581851786.db2.gz OOHKDQWWTDBJTA-MVZIDQBPSA-N 2 2 251.374 0.847 20 0 CCADLP C(C[NH+]1CCCC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000760841942 581875471 /nfs/dbraw/zinc/87/54/71/581875471.db2.gz SFADIPQKLUSOKB-OAHLLOKOSA-N 2 2 267.417 0.879 20 0 CCADLP C[C@H]1CC[N@H+](CCS(N)(=O)=O)C[C@H]1n1cc[nH+]c1 ZINC000767436755 581884161 /nfs/dbraw/zinc/88/41/61/581884161.db2.gz YWRWPNMNIWBTDF-WDEREUQCSA-N 2 2 272.374 0.055 20 0 CCADLP C[C@H]1CC[N@@H+](CCS(N)(=O)=O)C[C@H]1n1cc[nH+]c1 ZINC000767436755 581884162 /nfs/dbraw/zinc/88/41/62/581884162.db2.gz YWRWPNMNIWBTDF-WDEREUQCSA-N 2 2 272.374 0.055 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CN1CCOC1=S ZINC000746654093 581921512 /nfs/dbraw/zinc/92/15/12/581921512.db2.gz XZQQCESNZCFNEV-FRRDWIJNSA-N 2 2 299.440 0.745 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CN1CCOC1=S ZINC000746654093 581921517 /nfs/dbraw/zinc/92/15/17/581921517.db2.gz XZQQCESNZCFNEV-FRRDWIJNSA-N 2 2 299.440 0.745 20 0 CCADLP C[C@@H]1CC(=O)N(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)C1 ZINC000746643153 581921784 /nfs/dbraw/zinc/92/17/84/581921784.db2.gz GIUUOSDDRPGCTC-APIJFGDWSA-N 2 2 295.427 0.996 20 0 CCADLP C[C@@H]1CC(=O)N(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)C1 ZINC000746643153 581921785 /nfs/dbraw/zinc/92/17/85/581921785.db2.gz GIUUOSDDRPGCTC-APIJFGDWSA-N 2 2 295.427 0.996 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](C[C@H]2CC3(CC3)C(=O)O2)CC1 ZINC000763740128 582013534 /nfs/dbraw/zinc/01/35/34/582013534.db2.gz YWYNBZUHIHFWPN-GFCCVEGCSA-N 2 2 290.367 0.638 20 0 CCADLP C[C@@H](C(=O)NCc1cccnc1-n1cc[nH+]c1)[NH+](C)C ZINC000750602730 582053184 /nfs/dbraw/zinc/05/31/84/582053184.db2.gz LEYZZCHZIUHVBO-NSHDSACASA-N 2 2 273.340 0.834 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CN2CC(=O)N(C)C2=O)C1 ZINC000776202024 582058797 /nfs/dbraw/zinc/05/87/97/582058797.db2.gz NGKLPIRBHIUZDU-JTQLQIEISA-N 2 2 277.328 0.061 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CN2CC(=O)N(C)C2=O)C1 ZINC000776202024 582058800 /nfs/dbraw/zinc/05/88/00/582058800.db2.gz NGKLPIRBHIUZDU-JTQLQIEISA-N 2 2 277.328 0.061 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCOC[C@H]1OC ZINC000880437470 614866443 /nfs/dbraw/zinc/86/64/43/614866443.db2.gz LLXLRGRNOZJILI-RWMBFGLXSA-N 2 2 260.378 0.035 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCOC[C@H]1OC ZINC000880437470 614866444 /nfs/dbraw/zinc/86/64/44/614866444.db2.gz LLXLRGRNOZJILI-RWMBFGLXSA-N 2 2 260.378 0.035 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CCOC[C@H]1OC ZINC000880437470 614866445 /nfs/dbraw/zinc/86/64/45/614866445.db2.gz LLXLRGRNOZJILI-RWMBFGLXSA-N 2 2 260.378 0.035 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CCOC[C@H]1OC ZINC000880437470 614866446 /nfs/dbraw/zinc/86/64/46/614866446.db2.gz LLXLRGRNOZJILI-RWMBFGLXSA-N 2 2 260.378 0.035 20 0 CCADLP C[C@@H]([NH3+])CN(C)C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000877108555 617175033 /nfs/dbraw/zinc/17/50/33/617175033.db2.gz SNZYOFAMMUNEFU-SNVBAGLBSA-N 2 2 274.324 0.997 20 0 CCADLP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(-c2nn[nH]n2)o1 ZINC000822477158 599423397 /nfs/dbraw/zinc/42/33/97/599423397.db2.gz IIOJYJDNFTZICN-UHFFFAOYSA-N 2 2 273.300 0.754 20 0 CCADLP CCC[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903755354 614438501 /nfs/dbraw/zinc/43/85/01/614438501.db2.gz FZMIMIVPBSRLQJ-OLZOCXBDSA-N 2 2 253.390 0.977 20 0 CCADLP CCC[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC000903755354 614438502 /nfs/dbraw/zinc/43/85/02/614438502.db2.gz FZMIMIVPBSRLQJ-OLZOCXBDSA-N 2 2 253.390 0.977 20 0 CCADLP COc1ccc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)cn1 ZINC000905294477 617269559 /nfs/dbraw/zinc/26/95/59/617269559.db2.gz UUJHWDKNQBVITA-UHFFFAOYSA-N 2 2 293.371 0.635 20 0 CCADLP COc1cccc(OC)c1OC[C@H](O)C[N@H+](C)[C@@H](C)C[NH3+] ZINC000923292050 617306035 /nfs/dbraw/zinc/30/60/35/617306035.db2.gz WSFKAXPILBVQCR-NWDGAFQWSA-N 2 2 298.383 0.723 20 0 CCADLP COc1cccc(OC)c1OC[C@H](O)C[N@@H+](C)[C@@H](C)C[NH3+] ZINC000923292050 617306037 /nfs/dbraw/zinc/30/60/37/617306037.db2.gz WSFKAXPILBVQCR-NWDGAFQWSA-N 2 2 298.383 0.723 20 0 CCADLP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000876755633 613193161 /nfs/dbraw/zinc/19/31/61/613193161.db2.gz LSMJOSUOWIKZSK-NNCSVZIBSA-N 2 2 295.427 0.624 20 0 CCADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000876747087 613209592 /nfs/dbraw/zinc/20/95/92/613209592.db2.gz VEEKNZDAGFUOCB-UUSXEQNQSA-N 2 2 295.427 0.625 20 0 CCADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000876747087 613209593 /nfs/dbraw/zinc/20/95/93/613209593.db2.gz VEEKNZDAGFUOCB-UUSXEQNQSA-N 2 2 295.427 0.625 20 0 CCADLP C([NH2+][C@H]1CC[NH2+]C12CCC2)[C@H]1COC2(CCOCC2)O1 ZINC000925629849 613222796 /nfs/dbraw/zinc/22/27/96/613222796.db2.gz PVNDCDVOTQTTAE-STQMWFEESA-N 2 2 282.384 0.783 20 0 CCADLP C([C@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000923365441 613228116 /nfs/dbraw/zinc/22/81/16/613228116.db2.gz TWCCDAJRVRPBPC-ILXRZTDVSA-N 3 2 279.428 0.971 20 0 CCADLP C([C@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000923365441 613228118 /nfs/dbraw/zinc/22/81/18/613228118.db2.gz TWCCDAJRVRPBPC-ILXRZTDVSA-N 3 2 279.428 0.971 20 0 CCADLP C/C(=C/C(=O)NC[C@H]1CCC[N@H+]1C)C[NH+]1CCOCC1 ZINC000900695534 613237681 /nfs/dbraw/zinc/23/76/81/613237681.db2.gz QNQVFVIKSVDRGP-QLKUMGTLSA-N 2 2 281.400 0.475 20 0 CCADLP C/C(=C/C(=O)NC[C@H]1CCC[N@@H+]1C)C[NH+]1CCOCC1 ZINC000900695534 613237683 /nfs/dbraw/zinc/23/76/83/613237683.db2.gz QNQVFVIKSVDRGP-QLKUMGTLSA-N 2 2 281.400 0.475 20 0 CCADLP C/C(=C/C(=O)N[C@@H](C)CC[NH+](C)C)C[NH+]1CCOCC1 ZINC000900695370 613238624 /nfs/dbraw/zinc/23/86/24/613238624.db2.gz QSXCIVRPIPYOMF-FZDNWWAKSA-N 2 2 283.416 0.721 20 0 CCADLP C/C(=C\C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21)C[NH+]1CCOCC1 ZINC000908345282 613253012 /nfs/dbraw/zinc/25/30/12/613253012.db2.gz AVQXTVGYLRUDAV-IVBVFNMWSA-N 2 2 293.411 0.427 20 0 CCADLP C/C(=C\C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21)C[NH+]1CCOCC1 ZINC000908345282 613253014 /nfs/dbraw/zinc/25/30/14/613253014.db2.gz AVQXTVGYLRUDAV-IVBVFNMWSA-N 2 2 293.411 0.427 20 0 CCADLP C/C(=C\C(=O)N[C@@H](C)CC[NH+](C)C)C[NH+]1CCOCC1 ZINC000900695369 613258125 /nfs/dbraw/zinc/25/81/25/613258125.db2.gz QSXCIVRPIPYOMF-CMPYXILNSA-N 2 2 283.416 0.721 20 0 CCADLP CC(C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000960648961 613904214 /nfs/dbraw/zinc/90/42/14/613904214.db2.gz CWXFFYBFZLOZJL-RMRHIDDWSA-N 2 2 288.395 0.900 20 0 CCADLP CC(C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000960648961 613904216 /nfs/dbraw/zinc/90/42/16/613904216.db2.gz CWXFFYBFZLOZJL-RMRHIDDWSA-N 2 2 288.395 0.900 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](CCOC2CC2)CC1 ZINC000930614042 613939398 /nfs/dbraw/zinc/93/93/98/613939398.db2.gz SFOHIWRSEWMJFC-UHFFFAOYSA-N 2 2 256.390 0.990 20 0 CCADLP CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1)[NH+](C)C ZINC000969846533 614189074 /nfs/dbraw/zinc/18/90/74/614189074.db2.gz XXSHMSRXOCSCJF-DGCLKSJQSA-N 2 2 295.387 0.346 20 0 CCADLP CC(C)C[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903457547 614199446 /nfs/dbraw/zinc/19/94/46/614199446.db2.gz WRDMSTFTNIQJOT-FRRDWIJNSA-N 2 2 253.390 0.688 20 0 CCADLP CC(C)C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903457547 614199449 /nfs/dbraw/zinc/19/94/49/614199449.db2.gz WRDMSTFTNIQJOT-FRRDWIJNSA-N 2 2 253.390 0.688 20 0 CCADLP CC(C)(C)C(=O)N1CCC([NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925552650 614321142 /nfs/dbraw/zinc/32/11/42/614321142.db2.gz KIOCRYNQVOPOTO-CYBMUJFWSA-N 2 2 283.416 0.602 20 0 CCADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[N@H+](C)C[C@H]1CO ZINC000912740185 614504145 /nfs/dbraw/zinc/50/41/45/614504145.db2.gz RGHQQKPPPWIVTG-NEPJUHHUSA-N 2 2 271.405 0.288 20 0 CCADLP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1CO ZINC000912740185 614504148 /nfs/dbraw/zinc/50/41/48/614504148.db2.gz RGHQQKPPPWIVTG-NEPJUHHUSA-N 2 2 271.405 0.288 20 0 CCADLP CCC[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980538439 614531226 /nfs/dbraw/zinc/53/12/26/614531226.db2.gz GSGPOYSPYWPLAY-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP CCC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980538439 614531229 /nfs/dbraw/zinc/53/12/29/614531229.db2.gz GSGPOYSPYWPLAY-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP CCC[N@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@H]1CC[NH2+]C1 ZINC000903716439 614584824 /nfs/dbraw/zinc/58/48/24/614584824.db2.gz NCLZTEIERMUUCZ-KKUMJFAQSA-N 3 2 267.417 0.829 20 0 CCADLP CCC[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@H]1CC[NH2+]C1 ZINC000903716439 614584826 /nfs/dbraw/zinc/58/48/26/614584826.db2.gz NCLZTEIERMUUCZ-KKUMJFAQSA-N 3 2 267.417 0.829 20 0 CCADLP CCN(C(=O)N[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CC[NH2+]C1 ZINC000891818467 614604429 /nfs/dbraw/zinc/60/44/29/614604429.db2.gz IQSRUYUOIIXHDA-NEPJUHHUSA-N 2 2 277.372 0.591 20 0 CCADLP CC1(C)C[N@H+](C[C@@H](O)COC2CCOCC2)C[C@@H]1[NH3+] ZINC000923430491 614671218 /nfs/dbraw/zinc/67/12/18/614671218.db2.gz LYJXDIAAVTUHAC-YPMHNXCESA-N 2 2 272.389 0.212 20 0 CCADLP CC1(C)C[N@@H+](C[C@@H](O)COC2CCOCC2)C[C@@H]1[NH3+] ZINC000923430491 614671224 /nfs/dbraw/zinc/67/12/24/614671224.db2.gz LYJXDIAAVTUHAC-YPMHNXCESA-N 2 2 272.389 0.212 20 0 CCADLP CC1(C)C[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@H]1[NH3+] ZINC000903787453 614674434 /nfs/dbraw/zinc/67/44/34/614674434.db2.gz WUKQAIISDDKMJW-CHWSQXEVSA-N 3 2 267.417 0.814 20 0 CCADLP CC1(C)C[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@H]1[NH3+] ZINC000903787453 614674436 /nfs/dbraw/zinc/67/44/36/614674436.db2.gz WUKQAIISDDKMJW-CHWSQXEVSA-N 3 2 267.417 0.814 20 0 CCADLP CC1(C)CNC(=O)[C@@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000925233057 614691028 /nfs/dbraw/zinc/69/10/28/614691028.db2.gz QUOSDOIRKDZMLD-LBPRGKRZSA-N 2 2 262.357 0.998 20 0 CCADLP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000902397626 614701514 /nfs/dbraw/zinc/70/15/14/614701514.db2.gz NKZHBRVHZPILFJ-KGLIPLIRSA-N 3 2 296.459 0.694 20 0 CCADLP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000902397626 614701515 /nfs/dbraw/zinc/70/15/15/614701515.db2.gz NKZHBRVHZPILFJ-KGLIPLIRSA-N 3 2 296.459 0.694 20 0 CCADLP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2nnc3n2CCOC3)C1 ZINC000925659554 614777724 /nfs/dbraw/zinc/77/77/24/614777724.db2.gz WNODOGOTNGJGOC-WDEREUQCSA-N 2 2 279.388 0.804 20 0 CCADLP CCCNC(=O)CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931280490 614844895 /nfs/dbraw/zinc/84/48/95/614844895.db2.gz GPHJJKSXBVZTKX-IMRBUKKESA-N 2 2 253.390 0.785 20 0 CCADLP CCCNC(=O)CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931280490 614844898 /nfs/dbraw/zinc/84/48/98/614844898.db2.gz GPHJJKSXBVZTKX-IMRBUKKESA-N 2 2 253.390 0.785 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC2(CC1)OCCCO2 ZINC000846923226 614851162 /nfs/dbraw/zinc/85/11/62/614851162.db2.gz LOXNFLNFDUQZSW-CYBMUJFWSA-N 2 2 272.389 0.528 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC2(CC1)OCCCO2 ZINC000846923226 614851163 /nfs/dbraw/zinc/85/11/63/614851163.db2.gz LOXNFLNFDUQZSW-CYBMUJFWSA-N 2 2 272.389 0.528 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000876753754 614860640 /nfs/dbraw/zinc/86/06/40/614860640.db2.gz NVSKVXTVXYCZOZ-NWDGAFQWSA-N 2 2 283.416 0.587 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000876753754 614860644 /nfs/dbraw/zinc/86/06/44/614860644.db2.gz NVSKVXTVXYCZOZ-NWDGAFQWSA-N 2 2 283.416 0.587 20 0 CCADLP CCCNC(=O)[C@@H](C)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879591378 614867029 /nfs/dbraw/zinc/86/70/29/614867029.db2.gz NAGRCIBSDZDODI-CQSZACIVSA-N 2 2 296.459 0.613 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2nccn2C)C1 ZINC000846878226 614867106 /nfs/dbraw/zinc/86/71/06/614867106.db2.gz GDIHWAWSXXHNQV-KBPBESRZSA-N 2 2 280.416 0.912 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2nccn2C)C1 ZINC000846878226 614867107 /nfs/dbraw/zinc/86/71/07/614867107.db2.gz GDIHWAWSXXHNQV-KBPBESRZSA-N 2 2 280.416 0.912 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](c2nccn2C)C1 ZINC000846878226 614867108 /nfs/dbraw/zinc/86/71/08/614867108.db2.gz GDIHWAWSXXHNQV-KBPBESRZSA-N 2 2 280.416 0.912 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](c2nccn2C)C1 ZINC000846878226 614867109 /nfs/dbraw/zinc/86/71/09/614867109.db2.gz GDIHWAWSXXHNQV-KBPBESRZSA-N 2 2 280.416 0.912 20 0 CCADLP CC1(C)[C@@H]([NH2+]CCS(=O)(=O)C2CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925688968 614868800 /nfs/dbraw/zinc/86/88/00/614868800.db2.gz HWCAXKOXAKAXHD-AGIUHOORSA-N 2 2 286.441 0.930 20 0 CCADLP CCCNC(=O)[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903435186 614874720 /nfs/dbraw/zinc/87/47/20/614874720.db2.gz QLOQXCSWFHPZAK-QWHCGFSZSA-N 2 2 253.390 0.977 20 0 CCADLP CCCNC(=O)[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903435186 614874722 /nfs/dbraw/zinc/87/47/22/614874722.db2.gz QLOQXCSWFHPZAK-QWHCGFSZSA-N 2 2 253.390 0.977 20 0 CCADLP CC1([NH+]2CCCC2)CC[NH+](CCn2cnnn2)CC1 ZINC000879203815 614913005 /nfs/dbraw/zinc/91/30/05/614913005.db2.gz WSONKTGMUIAPTJ-UHFFFAOYSA-N 2 2 264.377 0.623 20 0 CCADLP CC1=CC[NH+](CCNC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000907385263 614970368 /nfs/dbraw/zinc/97/03/68/614970368.db2.gz DYJSFKNLQYPFFP-HIFRSBDPSA-N 2 2 281.400 0.210 20 0 CCADLP CC1=CC[NH+](CCNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000907385263 614970373 /nfs/dbraw/zinc/97/03/73/614970373.db2.gz DYJSFKNLQYPFFP-HIFRSBDPSA-N 2 2 281.400 0.210 20 0 CCADLP CC1=CC[N@H+](CCNC(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)CC1 ZINC000907385263 614970376 /nfs/dbraw/zinc/97/03/76/614970376.db2.gz DYJSFKNLQYPFFP-HIFRSBDPSA-N 2 2 281.400 0.210 20 0 CCADLP CC1=CC[N@@H+](CCNC(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)CC1 ZINC000907385263 614970380 /nfs/dbraw/zinc/97/03/80/614970380.db2.gz 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20 0 CCADLP CCO[C@H](CNc1cc(CO)cc[nH+]1)C[NH+](C)C ZINC000896110067 615484522 /nfs/dbraw/zinc/48/45/22/615484522.db2.gz QVOOADIPWQZHOM-GFCCVEGCSA-N 2 2 253.346 0.953 20 0 CCADLP CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925678915 615485219 /nfs/dbraw/zinc/48/52/19/615485219.db2.gz ASRFWJBJOWXHPP-QWRGUYRKSA-N 2 2 275.418 0.188 20 0 CCADLP CC[C@@H](O)C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000905447332 615542421 /nfs/dbraw/zinc/54/24/21/615542421.db2.gz QIBDTTAHZXWYQK-HUUCEWRRSA-N 2 2 285.432 0.144 20 0 CCADLP CC[C@@H]1CCN(C(=[NH2+])NCC[N@@H+]2CCCOCC2)C1 ZINC000864463837 615553790 /nfs/dbraw/zinc/55/37/90/615553790.db2.gz LLUCWOYVAGNYAQ-CYBMUJFWSA-N 2 2 268.405 0.965 20 0 CCADLP CC[C@@H]1CCN(C(=[NH2+])NCC[N@H+]2CCCOCC2)C1 ZINC000864463837 615553791 /nfs/dbraw/zinc/55/37/91/615553791.db2.gz LLUCWOYVAGNYAQ-CYBMUJFWSA-N 2 2 268.405 0.965 20 0 CCADLP CC[C@H](C(=O)N(C)[C@@H]1CC[NH2+]C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911786800 615564925 /nfs/dbraw/zinc/56/49/25/615564925.db2.gz FBSNZTPSQHQMCQ-MGPQQGTHSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@H](C(=O)N(C)[C@@H]1CC[NH2+]C1)[N@H+]1CCO[C@H](CC)C1 ZINC000911786800 615564926 /nfs/dbraw/zinc/56/49/26/615564926.db2.gz FBSNZTPSQHQMCQ-MGPQQGTHSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@H](C(=O)NCC[C@@H]1CC[NH2+]C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911769556 615565122 /nfs/dbraw/zinc/56/51/22/615565122.db2.gz VHLSHYJIDCDPJD-RRFJBIMHSA-N 2 2 297.443 0.992 20 0 CCADLP CC[C@H](C(=O)NCC[C@@H]1CC[NH2+]C1)[N@H+]1CCO[C@H](CC)C1 ZINC000911769556 615565123 /nfs/dbraw/zinc/56/51/23/615565123.db2.gz VHLSHYJIDCDPJD-RRFJBIMHSA-N 2 2 297.443 0.992 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@@H]1CC[NH+]1C ZINC000925428363 615567460 /nfs/dbraw/zinc/56/74/60/615567460.db2.gz GLAIPUXDMXSPGB-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@@H]1CC[NH+]1C ZINC000925428363 615567461 /nfs/dbraw/zinc/56/74/61/615567461.db2.gz GLAIPUXDMXSPGB-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925428363 615567462 /nfs/dbraw/zinc/56/74/62/615567462.db2.gz GLAIPUXDMXSPGB-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)NC[C@@H]1CC[N@H+]1C ZINC000925428363 615567463 /nfs/dbraw/zinc/56/74/63/615567463.db2.gz GLAIPUXDMXSPGB-OLZOCXBDSA-N 2 2 284.404 0.101 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CC(F)F ZINC000877435024 615568047 /nfs/dbraw/zinc/56/80/47/615568047.db2.gz XDCUJHVOVGJUNL-ZJUUUORDSA-N 2 2 279.331 0.196 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CC(F)F ZINC000877435024 615568048 /nfs/dbraw/zinc/56/80/48/615568048.db2.gz XDCUJHVOVGJUNL-ZJUUUORDSA-N 2 2 279.331 0.196 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CCC(C)C ZINC000877434777 615568105 /nfs/dbraw/zinc/56/81/05/615568105.db2.gz UOCXUTZNNOKFNS-KGLIPLIRSA-N 2 2 285.432 0.977 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CCC(C)C ZINC000877434777 615568106 /nfs/dbraw/zinc/56/81/06/615568106.db2.gz UOCXUTZNNOKFNS-KGLIPLIRSA-N 2 2 285.432 0.977 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000877432674 615568254 /nfs/dbraw/zinc/56/82/54/615568254.db2.gz FHLUUIBZQVQTAY-MGPQQGTHSA-N 2 2 283.416 0.731 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000877432674 615568255 /nfs/dbraw/zinc/56/82/55/615568255.db2.gz FHLUUIBZQVQTAY-MGPQQGTHSA-N 2 2 283.416 0.731 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877433739 615568904 /nfs/dbraw/zinc/56/89/04/615568904.db2.gz IBGHFOWNVRQUSU-FMKPAKJESA-N 2 2 295.427 0.746 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877433739 615568905 /nfs/dbraw/zinc/56/89/05/615568905.db2.gz IBGHFOWNVRQUSU-FMKPAKJESA-N 2 2 295.427 0.746 20 0 CCADLP C[NH+](C)C1(C(=O)N[C@H]2CCn3c[nH+]cc3C2)CCC1 ZINC000857943630 615844237 /nfs/dbraw/zinc/84/42/37/615844237.db2.gz JFTUDSBICXOAKF-NSHDSACASA-N 2 2 262.357 0.798 20 0 CCADLP C[NH+](C)C1(C)CC[NH+](C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC000931353702 615846218 /nfs/dbraw/zinc/84/62/18/615846218.db2.gz GPESKKCASUVCKQ-UKRRQHHQSA-N 2 2 286.416 0.305 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000885951137 615863853 /nfs/dbraw/zinc/86/38/53/615863853.db2.gz ABXPMOZVJJUHTF-GJZGRUSLSA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H](O)c1cccnc1 ZINC000855415143 615879162 /nfs/dbraw/zinc/87/91/62/615879162.db2.gz RAJZBYNNCKRNIA-AWEZNQCLSA-N 2 2 294.399 0.115 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H](O)c1cccnc1 ZINC000855415143 615879164 /nfs/dbraw/zinc/87/91/64/615879164.db2.gz RAJZBYNNCKRNIA-AWEZNQCLSA-N 2 2 294.399 0.115 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)O[C@H]1CCOC1 ZINC000917237765 615879323 /nfs/dbraw/zinc/87/93/23/615879323.db2.gz UBJWNQKGVXBMSG-LBPRGKRZSA-N 2 2 273.377 0.385 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)O[C@H]1CCOC1 ZINC000917237765 615879325 /nfs/dbraw/zinc/87/93/25/615879325.db2.gz UBJWNQKGVXBMSG-LBPRGKRZSA-N 2 2 273.377 0.385 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000880670756 615879570 /nfs/dbraw/zinc/87/95/70/615879570.db2.gz NZQHDSOYPWETRO-SOUVJXGZSA-N 2 2 297.443 0.801 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000880670756 615879571 /nfs/dbraw/zinc/87/95/71/615879571.db2.gz NZQHDSOYPWETRO-SOUVJXGZSA-N 2 2 297.443 0.801 20 0 CCADLP C[NH+](C)CCC[C@H]1CN(C(=O)[C@H](O)c2c[nH+]c[nH]2)CCO1 ZINC000869313954 615888202 /nfs/dbraw/zinc/88/82/02/615888202.db2.gz MKLWDJFYJTWXLI-WCQYABFASA-N 2 2 296.371 0.012 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](CC[C@H]2COC(C)(C)O2)CC1=O ZINC000852211126 615899358 /nfs/dbraw/zinc/89/93/58/615899358.db2.gz PMZBUWMPARHCIS-ZDUSSCGKSA-N 2 2 299.415 0.234 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](CC[C@H]2COC(C)(C)O2)CC1=O ZINC000852211126 615899362 /nfs/dbraw/zinc/89/93/62/615899362.db2.gz PMZBUWMPARHCIS-ZDUSSCGKSA-N 2 2 299.415 0.234 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C[NH2+]CC1CC1 ZINC000877433211 615923895 /nfs/dbraw/zinc/92/38/95/615923895.db2.gz MJVXNUFOMGZOKT-ZDUSSCGKSA-N 2 2 269.389 0.213 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C[NH2+]CC1CC1 ZINC000877433211 615923896 /nfs/dbraw/zinc/92/38/96/615923896.db2.gz MJVXNUFOMGZOKT-ZDUSSCGKSA-N 2 2 269.389 0.213 20 0 CCADLP C[NH+](C)C[C@H](CO)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000935982236 615939129 /nfs/dbraw/zinc/93/91/29/615939129.db2.gz WTVWKCTUNUKJSB-SNVBAGLBSA-N 2 2 262.313 0.215 20 0 CCADLP CN(C)C(=O)CCC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517823 615951170 /nfs/dbraw/zinc/95/11/70/615951170.db2.gz FUWNEXCAGRMTLN-UHFFFAOYSA-N 2 2 262.357 0.890 20 0 CCADLP CN(C)C(=O)CCC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517823 615951172 /nfs/dbraw/zinc/95/11/72/615951172.db2.gz FUWNEXCAGRMTLN-UHFFFAOYSA-N 2 2 262.357 0.890 20 0 CCADLP CN(C)c1cc(NC[C@@](C)(O)C[NH+](C)C)[nH+]cn1 ZINC000892955201 615951682 /nfs/dbraw/zinc/95/16/82/615951682.db2.gz GHIGJLKRCPYSJY-GFCCVEGCSA-N 2 2 253.350 0.267 20 0 CCADLP CN(C)c1cc(NC[C@@](C)(O)C[NH+](C)C)nc[nH+]1 ZINC000892955201 615951685 /nfs/dbraw/zinc/95/16/85/615951685.db2.gz GHIGJLKRCPYSJY-GFCCVEGCSA-N 2 2 253.350 0.267 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@H]2COC(C)(C)O2)C1 ZINC000878864993 615952775 /nfs/dbraw/zinc/95/27/75/615952775.db2.gz CIYLDWJFWPDPMQ-GXTWGEPZSA-N 2 2 272.389 0.526 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@H]2COC(C)(C)O2)C1 ZINC000878864993 615952778 /nfs/dbraw/zinc/95/27/78/615952778.db2.gz CIYLDWJFWPDPMQ-GXTWGEPZSA-N 2 2 272.389 0.526 20 0 CCADLP C[NH+](C)Cc1cccc(C(=O)N2CC[N@H+](C)[C@@H](CO)C2)c1 ZINC000913549929 615954909 /nfs/dbraw/zinc/95/49/09/615954909.db2.gz JJDRVIYSDGLIMG-OAHLLOKOSA-N 2 2 291.395 0.497 20 0 CCADLP C[NH+](C)Cc1cccc(C(=O)N2CC[N@@H+](C)[C@@H](CO)C2)c1 ZINC000913549929 615954912 /nfs/dbraw/zinc/95/49/12/615954912.db2.gz JJDRVIYSDGLIMG-OAHLLOKOSA-N 2 2 291.395 0.497 20 0 CCADLP C[NH+](C)Cc1cnc(C[NH2+]CCN2CCCC2=O)s1 ZINC000846076252 615957256 /nfs/dbraw/zinc/95/72/56/615957256.db2.gz IPKNYVSWGKZLLD-UHFFFAOYSA-N 2 2 282.413 0.917 20 0 CCADLP CN(C)C(=O)OC1CC[NH+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000815187271 615987380 /nfs/dbraw/zinc/98/73/80/615987380.db2.gz RLUNZUCSROLOFX-CYBMUJFWSA-N 2 2 299.415 0.606 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H](O)COC[C@@H]3CCCO3)C[C@H]21 ZINC000931283342 615997696 /nfs/dbraw/zinc/99/76/96/615997696.db2.gz UOKVTFHISJQDOY-SEBNEYGDSA-N 2 2 284.400 0.035 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)COC[C@@H]3CCCO3)C[C@H]21 ZINC000931283342 615997698 /nfs/dbraw/zinc/99/76/98/615997698.db2.gz UOKVTFHISJQDOY-SEBNEYGDSA-N 2 2 284.400 0.035 20 0 CCADLP CN(C)c1ccc([NH+]2CCC(NC(=O)C[NH3+])CC2)cc1 ZINC000844192296 616016919 /nfs/dbraw/zinc/01/69/19/616016919.db2.gz YRAZHYNDFPPGQC-UHFFFAOYSA-N 2 2 276.384 0.796 20 0 CCADLP C[N@H+](CC(F)F)C1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000852870701 616052845 /nfs/dbraw/zinc/05/28/45/616052845.db2.gz WRIYIEFDXWQHQC-MGCOHNPYSA-N 2 2 275.343 0.912 20 0 CCADLP C[N@@H+](CC(F)F)C1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000852870701 616052846 /nfs/dbraw/zinc/05/28/46/616052846.db2.gz WRIYIEFDXWQHQC-MGCOHNPYSA-N 2 2 275.343 0.912 20 0 CCADLP C[N@H+](CC1CC1)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972429279 616061304 /nfs/dbraw/zinc/06/13/04/616061304.db2.gz BPAGARGCLIUFDI-CYBMUJFWSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@@H+](CC1CC1)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972429279 616061305 /nfs/dbraw/zinc/06/13/05/616061305.db2.gz BPAGARGCLIUFDI-CYBMUJFWSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@H+](CCCCNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC000909556304 616072682 /nfs/dbraw/zinc/07/26/82/616072682.db2.gz OWMGVGGKTPQWNJ-UHFFFAOYSA-N 2 2 250.346 0.943 20 0 CCADLP C[N@@H+](CCCCNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC000909556304 616072683 /nfs/dbraw/zinc/07/26/83/616072683.db2.gz OWMGVGGKTPQWNJ-UHFFFAOYSA-N 2 2 250.346 0.943 20 0 CCADLP C[N@H+](CCF)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000972039519 616077674 /nfs/dbraw/zinc/07/76/74/616077674.db2.gz IMUXZNSUFIQANL-GFCCVEGCSA-N 2 2 268.336 0.775 20 0 CCADLP C[N@@H+](CCF)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000972039519 616077675 /nfs/dbraw/zinc/07/76/75/616077675.db2.gz IMUXZNSUFIQANL-GFCCVEGCSA-N 2 2 268.336 0.775 20 0 CCADLP C[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1nnc2c(=O)[nH]ccn12 ZINC000883460538 616122283 /nfs/dbraw/zinc/12/22/83/616122283.db2.gz ZRZDTSWIVSXVLC-NSHDSACASA-N 2 2 290.371 0.239 20 0 CCADLP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1nnc2c(=O)[nH]ccn12 ZINC000883460538 616122284 /nfs/dbraw/zinc/12/22/84/616122284.db2.gz ZRZDTSWIVSXVLC-NSHDSACASA-N 2 2 290.371 0.239 20 0 CCADLP C[N@H+](CCn1cccn1)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903891470 616128132 /nfs/dbraw/zinc/12/81/32/616128132.db2.gz AQRQNLYDWHZNLT-ZDUSSCGKSA-N 2 2 289.387 0.531 20 0 CCADLP C[N@@H+](CCn1cccn1)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903891470 616128133 /nfs/dbraw/zinc/12/81/33/616128133.db2.gz AQRQNLYDWHZNLT-ZDUSSCGKSA-N 2 2 289.387 0.531 20 0 CCADLP CN1CC(=O)N(CC[NH+]2CCC(C)([NH+](C)C)CC2)C1=O ZINC000931353529 616161270 /nfs/dbraw/zinc/16/12/70/616161270.db2.gz DCSZWNOYIYJYJW-UHFFFAOYSA-N 2 2 282.388 0.297 20 0 CCADLP C[N@H+](C[C@H]1CCOC1)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980539682 616161663 /nfs/dbraw/zinc/16/16/63/616161663.db2.gz UGTXTWGSEFDRGH-KGLIPLIRSA-N 2 2 292.383 0.452 20 0 CCADLP C[N@@H+](C[C@H]1CCOC1)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000980539682 616161664 /nfs/dbraw/zinc/16/16/64/616161664.db2.gz UGTXTWGSEFDRGH-KGLIPLIRSA-N 2 2 292.383 0.452 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NOCC3CC3)C2)CC1 ZINC000838609042 616172683 /nfs/dbraw/zinc/17/26/83/616172683.db2.gz HVXGARHHEWPFSV-ZDUSSCGKSA-N 2 2 296.415 0.796 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NOCC3CC3)C2)CC1 ZINC000838609042 616172684 /nfs/dbraw/zinc/17/26/84/616172684.db2.gz HVXGARHHEWPFSV-ZDUSSCGKSA-N 2 2 296.415 0.796 20 0 CCADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000878531240 616173356 /nfs/dbraw/zinc/17/33/56/616173356.db2.gz IQCRVENOMPUOEX-AWEZNQCLSA-N 2 2 297.443 0.944 20 0 CCADLP C[NH+]1CCC(NC(=O)C[N@H+]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000878531240 616173357 /nfs/dbraw/zinc/17/33/57/616173357.db2.gz IQCRVENOMPUOEX-AWEZNQCLSA-N 2 2 297.443 0.944 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC000899057386 616183624 /nfs/dbraw/zinc/18/36/24/616183624.db2.gz DMYKMBAMNRFTSN-ZDUSSCGKSA-N 2 2 297.399 0.036 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CCC2(C1)OCCO2 ZINC000899057386 616183625 /nfs/dbraw/zinc/18/36/25/616183625.db2.gz DMYKMBAMNRFTSN-ZDUSSCGKSA-N 2 2 297.399 0.036 20 0 CCADLP C[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899057386 616183626 /nfs/dbraw/zinc/18/36/26/616183626.db2.gz DMYKMBAMNRFTSN-ZDUSSCGKSA-N 2 2 297.399 0.036 20 0 CCADLP C[NH+]1CCCC[C@H]1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899057386 616183627 /nfs/dbraw/zinc/18/36/27/616183627.db2.gz DMYKMBAMNRFTSN-ZDUSSCGKSA-N 2 2 297.399 0.036 20 0 CCADLP CN(C(=O)NCCc1cn(C)c[nH+]1)[C@@H]1CCC[N@H+](C)C1 ZINC000895291960 616188660 /nfs/dbraw/zinc/18/86/60/616188660.db2.gz PTWKIMVESYEZRN-CYBMUJFWSA-N 2 2 279.388 0.698 20 0 CCADLP CN(C(=O)NCCc1cn(C)c[nH+]1)[C@@H]1CCC[N@@H+](C)C1 ZINC000895291960 616188661 /nfs/dbraw/zinc/18/86/61/616188661.db2.gz PTWKIMVESYEZRN-CYBMUJFWSA-N 2 2 279.388 0.698 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@@H](O)C1(O)CCC1 ZINC000931623188 616200496 /nfs/dbraw/zinc/20/04/96/616200496.db2.gz WWWWAKVXFUFFIV-JHJVBQTASA-N 2 2 254.374 0.431 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@@H](O)C1(O)CCC1 ZINC000931623188 616200497 /nfs/dbraw/zinc/20/04/97/616200497.db2.gz WWWWAKVXFUFFIV-JHJVBQTASA-N 2 2 254.374 0.431 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H](O)C1(O)CCC1 ZINC000931623188 616200498 /nfs/dbraw/zinc/20/04/98/616200498.db2.gz WWWWAKVXFUFFIV-JHJVBQTASA-N 2 2 254.374 0.431 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@@H](O)C1(O)CCC1 ZINC000931623188 616200499 /nfs/dbraw/zinc/20/04/99/616200499.db2.gz WWWWAKVXFUFFIV-JHJVBQTASA-N 2 2 254.374 0.431 20 0 CCADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCC(=O)NC(N)=O ZINC000880130449 616216315 /nfs/dbraw/zinc/21/63/15/616216315.db2.gz FPVAAEZOWLIXPK-QWRGUYRKSA-N 2 2 268.361 0.130 20 0 CCADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCC(=O)NC(N)=O ZINC000880130449 616216316 /nfs/dbraw/zinc/21/63/16/616216316.db2.gz FPVAAEZOWLIXPK-QWRGUYRKSA-N 2 2 268.361 0.130 20 0 CCADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCC(=O)NC(N)=O ZINC000880130449 616216317 /nfs/dbraw/zinc/21/63/17/616216317.db2.gz FPVAAEZOWLIXPK-QWRGUYRKSA-N 2 2 268.361 0.130 20 0 CCADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCCC(=O)NC(N)=O ZINC000880130449 616216318 /nfs/dbraw/zinc/21/63/18/616216318.db2.gz FPVAAEZOWLIXPK-QWRGUYRKSA-N 2 2 268.361 0.130 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000924839797 616223690 /nfs/dbraw/zinc/22/36/90/616223690.db2.gz PNNOAQDSXWXXFA-ZBFHGGJFSA-N 2 2 295.427 0.555 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000872029197 616223738 /nfs/dbraw/zinc/22/37/38/616223738.db2.gz OYTUTZCUUZWCCF-UONOGXRCSA-N 2 2 297.443 0.944 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000806133778 616223785 /nfs/dbraw/zinc/22/37/85/616223785.db2.gz DSBCSMCFGOGVLF-CHWSQXEVSA-N 2 2 251.374 0.539 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC[NH+]2C2CCCC2)C[C@@H]1CO ZINC000913540300 616227190 /nfs/dbraw/zinc/22/71/90/616227190.db2.gz SHENQIQQKQGECF-KGLIPLIRSA-N 2 2 281.400 0.138 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2CC[NH+]2C2CCCC2)C[C@@H]1CO ZINC000913540300 616227191 /nfs/dbraw/zinc/22/71/91/616227191.db2.gz SHENQIQQKQGECF-KGLIPLIRSA-N 2 2 281.400 0.138 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+]2C2CCCC2)C[C@@H]1CO ZINC000913540300 616227192 /nfs/dbraw/zinc/22/71/92/616227192.db2.gz SHENQIQQKQGECF-KGLIPLIRSA-N 2 2 281.400 0.138 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2CC[N@H+]2C2CCCC2)C[C@@H]1CO ZINC000913540300 616227193 /nfs/dbraw/zinc/22/71/93/616227193.db2.gz SHENQIQQKQGECF-KGLIPLIRSA-N 2 2 281.400 0.138 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000932526285 616237754 /nfs/dbraw/zinc/23/77/54/616237754.db2.gz MRXQBDBCGOGSKF-LBPRGKRZSA-N 2 2 287.367 0.539 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC000932526285 616237755 /nfs/dbraw/zinc/23/77/55/616237755.db2.gz MRXQBDBCGOGSKF-LBPRGKRZSA-N 2 2 287.367 0.539 20 0 CCADLP C[N@H+](CC1CC1)C[C@H]1CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000960528157 616251349 /nfs/dbraw/zinc/25/13/49/616251349.db2.gz PUKLEQMNUFDUJB-HUUCEWRRSA-N 2 2 295.427 0.650 20 0 CCADLP C[N@@H+](CC1CC1)C[C@H]1CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC000960528157 616251350 /nfs/dbraw/zinc/25/13/50/616251350.db2.gz PUKLEQMNUFDUJB-HUUCEWRRSA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+](CC1CC1)C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000960528157 616251351 /nfs/dbraw/zinc/25/13/51/616251351.db2.gz PUKLEQMNUFDUJB-HUUCEWRRSA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+](CC1CC1)C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000960528157 616251352 /nfs/dbraw/zinc/25/13/52/616251352.db2.gz PUKLEQMNUFDUJB-HUUCEWRRSA-N 2 2 295.427 0.650 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[NH+](CCCF)CC2)C1 ZINC000980893414 616251355 /nfs/dbraw/zinc/25/13/55/616251355.db2.gz KXHOBOPOIYIPHU-CYBMUJFWSA-N 2 2 287.379 0.211 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[NH+](CCCF)CC2)C1 ZINC000980893414 616251356 /nfs/dbraw/zinc/25/13/56/616251356.db2.gz KXHOBOPOIYIPHU-CYBMUJFWSA-N 2 2 287.379 0.211 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2CCC[N@H+](CCCF)CC2)C1 ZINC000980893414 616251357 /nfs/dbraw/zinc/25/13/57/616251357.db2.gz KXHOBOPOIYIPHU-CYBMUJFWSA-N 2 2 287.379 0.211 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2CCC[N@@H+](CCCF)CC2)C1 ZINC000980893414 616251358 /nfs/dbraw/zinc/25/13/58/616251358.db2.gz KXHOBOPOIYIPHU-CYBMUJFWSA-N 2 2 287.379 0.211 20 0 CCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC000923286422 616307717 /nfs/dbraw/zinc/30/77/17/616307717.db2.gz KKTOAJWOVMUKIO-QWHCGFSZSA-N 2 2 262.357 0.968 20 0 CCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC000923286422 616307722 /nfs/dbraw/zinc/30/77/22/616307722.db2.gz KKTOAJWOVMUKIO-QWHCGFSZSA-N 2 2 262.357 0.968 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)CC[C@H]21 ZINC000827244520 616327546 /nfs/dbraw/zinc/32/75/46/616327546.db2.gz BBUVTNJFPGVWDP-HZSPNIEDSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)CC[C@H]21 ZINC000827244520 616327549 /nfs/dbraw/zinc/32/75/49/616327549.db2.gz BBUVTNJFPGVWDP-HZSPNIEDSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@@H+]1C[C@@H]2CCN(C(=O)N[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC000894307081 616358946 /nfs/dbraw/zinc/35/89/46/616358946.db2.gz BANBDXFXKVKKST-RWMBFGLXSA-N 2 2 289.383 0.543 20 0 CCADLP C[N@H+]1C[C@@H]2CCN(C(=O)N[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC000894307081 616358949 /nfs/dbraw/zinc/35/89/49/616358949.db2.gz BANBDXFXKVKKST-RWMBFGLXSA-N 2 2 289.383 0.543 20 0 CCADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000894307080 616359011 /nfs/dbraw/zinc/35/90/11/616359011.db2.gz BANBDXFXKVKKST-AVGNSLFASA-N 2 2 289.383 0.543 20 0 CCADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000894307080 616359015 /nfs/dbraw/zinc/35/90/15/616359015.db2.gz BANBDXFXKVKKST-AVGNSLFASA-N 2 2 289.383 0.543 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC000951628159 616363689 /nfs/dbraw/zinc/36/36/89/616363689.db2.gz JNFYZKIBIIKXOU-CABCVRRESA-N 2 2 295.427 0.794 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC000951628159 616363693 /nfs/dbraw/zinc/36/36/93/616363693.db2.gz JNFYZKIBIIKXOU-CABCVRRESA-N 2 2 295.427 0.794 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000900684885 616364060 /nfs/dbraw/zinc/36/40/60/616364060.db2.gz XIDVOMDMOYJVCA-GJZGRUSLSA-N 2 2 295.427 0.794 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC000900684885 616364067 /nfs/dbraw/zinc/36/40/67/616364067.db2.gz XIDVOMDMOYJVCA-GJZGRUSLSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CNc1cccc[nH+]1 ZINC000913533074 616365010 /nfs/dbraw/zinc/36/50/10/616365010.db2.gz XWHCCXJZSMOPPA-TXEJJXNPSA-N 2 2 260.341 0.799 20 0 CCADLP C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CNc1cccc[nH+]1 ZINC000913533074 616365013 /nfs/dbraw/zinc/36/50/13/616365013.db2.gz XWHCCXJZSMOPPA-TXEJJXNPSA-N 2 2 260.341 0.799 20 0 CCADLP COCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000968595837 616384478 /nfs/dbraw/zinc/38/44/78/616384478.db2.gz FHSASUZWVMTHJX-BXUZGUMPSA-N 2 2 294.399 0.734 20 0 CCADLP COCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000968595837 616384482 /nfs/dbraw/zinc/38/44/82/616384482.db2.gz FHSASUZWVMTHJX-BXUZGUMPSA-N 2 2 294.399 0.734 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)CNc2cccc[nH+]2)C1 ZINC000900625639 616390918 /nfs/dbraw/zinc/39/09/18/616390918.db2.gz XVMZVNHUVSDRHV-GFCCVEGCSA-N 2 2 278.356 0.330 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)CNc2cccc[nH+]2)C1 ZINC000900625639 616390921 /nfs/dbraw/zinc/39/09/21/616390921.db2.gz XVMZVNHUVSDRHV-GFCCVEGCSA-N 2 2 278.356 0.330 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000943767208 616392563 /nfs/dbraw/zinc/39/25/63/616392563.db2.gz SDEMWOPPDPKSAB-NWDGAFQWSA-N 2 2 280.372 0.425 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC000943767208 616392569 /nfs/dbraw/zinc/39/25/69/616392569.db2.gz SDEMWOPPDPKSAB-NWDGAFQWSA-N 2 2 280.372 0.425 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000943177787 616392744 /nfs/dbraw/zinc/39/27/44/616392744.db2.gz PWPMANZNLDTHDG-DGCLKSJQSA-N 2 2 280.372 0.425 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC000943177787 616392745 /nfs/dbraw/zinc/39/27/45/616392745.db2.gz PWPMANZNLDTHDG-DGCLKSJQSA-N 2 2 280.372 0.425 20 0 CCADLP C[NH+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC000913276764 616393739 /nfs/dbraw/zinc/39/37/39/616393739.db2.gz LZAIRBKIBBSUGY-KBPBESRZSA-N 2 2 262.357 0.683 20 0 CCADLP COC/C=C/C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000865751182 616400399 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ZINC001027139376 625743481 /nfs/dbraw/zinc/74/34/81/625743481.db2.gz HFQZZVVDOHHBGC-LLVKDONJSA-N 2 2 289.339 0.579 20 0 CCADLP C[C@H](O)C[N@H+](C)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001027515081 625933457 /nfs/dbraw/zinc/93/34/57/625933457.db2.gz TVXRMSILDMOTNR-KBPBESRZSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@H](O)C[N@@H+](C)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001027515081 625933469 /nfs/dbraw/zinc/93/34/69/625933469.db2.gz TVXRMSILDMOTNR-KBPBESRZSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000903441026 634563363 /nfs/dbraw/zinc/56/33/63/634563363.db2.gz HEQDDSIPSTUGRU-RQJABVFESA-N 2 2 254.374 0.722 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000903441026 634563369 /nfs/dbraw/zinc/56/33/69/634563369.db2.gz HEQDDSIPSTUGRU-RQJABVFESA-N 2 2 254.374 0.722 20 0 CCADLP Cc1cn2c(nc(C[N@@H+]3CC[C@@H](C[NH3+])C3)cc2=O)s1 ZINC000903422820 634563950 /nfs/dbraw/zinc/56/39/50/634563950.db2.gz JEUKUIGRWIEYII-JTQLQIEISA-N 2 2 278.381 0.845 20 0 CCADLP Cc1cn2c(nc(C[N@H+]3CC[C@@H](C[NH3+])C3)cc2=O)s1 ZINC000903422820 634563960 /nfs/dbraw/zinc/56/39/60/634563960.db2.gz JEUKUIGRWIEYII-JTQLQIEISA-N 2 2 278.381 0.845 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000903464839 634564530 /nfs/dbraw/zinc/56/45/30/634564530.db2.gz YHWDEESWSSBBRH-QLFBSQMISA-N 3 2 269.433 0.885 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000903464839 634564535 /nfs/dbraw/zinc/56/45/35/634564535.db2.gz YHWDEESWSSBBRH-QLFBSQMISA-N 3 2 269.433 0.885 20 0 CCADLP O=S1(=O)CCC[N@H+](CC2CC[NH2+]CC2)[C@H](C2CC2)C1 ZINC000903707544 634627985 /nfs/dbraw/zinc/62/79/85/634627985.db2.gz CEMVOIIJMTVQQR-AWEZNQCLSA-N 2 2 286.441 0.885 20 0 CCADLP O=S1(=O)CCC[N@@H+](CC2CC[NH2+]CC2)[C@H](C2CC2)C1 ZINC000903707544 634627987 /nfs/dbraw/zinc/62/79/87/634627987.db2.gz CEMVOIIJMTVQQR-AWEZNQCLSA-N 2 2 286.441 0.885 20 0 CCADLP [NH3+]C[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903713603 634633620 /nfs/dbraw/zinc/63/36/20/634633620.db2.gz XHLANWVGGAKXCS-MJBXVCDLSA-N 3 2 253.390 0.568 20 0 CCADLP [NH3+]C[C@@H]1CCCC[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903713603 634633623 /nfs/dbraw/zinc/63/36/23/634633623.db2.gz XHLANWVGGAKXCS-MJBXVCDLSA-N 3 2 253.390 0.568 20 0 CCADLP Cn1ccnc1CN1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903752247 634636218 /nfs/dbraw/zinc/63/62/18/634636218.db2.gz LQJHRTUYODPOJV-HNNXBMFYSA-N 2 2 291.443 0.927 20 0 CCADLP [NH3+]CC1(c2ccccc2)CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000903792567 634647652 /nfs/dbraw/zinc/64/76/52/634647652.db2.gz FHHUXBKAZWRGDG-INIZCTEOSA-N 3 2 289.423 0.967 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903778164 634649325 /nfs/dbraw/zinc/64/93/25/634649325.db2.gz JRCNSRDLDPLOEF-FRRDWIJNSA-N 3 2 253.390 0.567 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903778164 634649331 /nfs/dbraw/zinc/64/93/31/634649331.db2.gz JRCNSRDLDPLOEF-FRRDWIJNSA-N 3 2 253.390 0.567 20 0 CCADLP c1csc(C[C@H]2CC[N@H+](C[C@@H]3C[NH2+]CCO3)C2)n1 ZINC000903833463 634663355 /nfs/dbraw/zinc/66/33/55/634663355.db2.gz XBPRRDXRDNJRNY-NEPJUHHUSA-N 2 2 267.398 0.996 20 0 CCADLP c1csc(C[C@H]2CC[N@@H+](C[C@@H]3C[NH2+]CCO3)C2)n1 ZINC000903833463 634663361 /nfs/dbraw/zinc/66/33/61/634663361.db2.gz XBPRRDXRDNJRNY-NEPJUHHUSA-N 2 2 267.398 0.996 20 0 CCADLP Cn1nccc1[C@@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000903824403 634658429 /nfs/dbraw/zinc/65/84/29/634658429.db2.gz PZVCIRZYFVAYAG-OCCSQVGLSA-N 2 2 292.383 0.314 20 0 CCADLP Cn1nccc1[C@@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000903824403 634658434 /nfs/dbraw/zinc/65/84/34/634658434.db2.gz PZVCIRZYFVAYAG-OCCSQVGLSA-N 2 2 292.383 0.314 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@H](O)C[NH+]1CCCC1)C2 ZINC000903839481 634664911 /nfs/dbraw/zinc/66/49/11/634664911.db2.gz LVPVWYNNAKABAV-XDQVBPFNSA-N 3 2 253.390 0.255 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@H](O)C[NH+]1CCCC1)C2 ZINC000903839481 634664913 /nfs/dbraw/zinc/66/49/13/634664913.db2.gz LVPVWYNNAKABAV-XDQVBPFNSA-N 3 2 253.390 0.255 20 0 CCADLP O=C(CC[N@@H+]1CCC[C@]12CC[NH2+]C2)N1CCOCC1 ZINC000903867172 634665687 /nfs/dbraw/zinc/66/56/87/634665687.db2.gz ZUQYBRNOZPDWJO-CQSZACIVSA-N 2 2 267.373 0.063 20 0 CCADLP O=C(CC[N@H+]1CCC[C@]12CC[NH2+]C2)N1CCOCC1 ZINC000903867172 634665689 /nfs/dbraw/zinc/66/56/89/634665689.db2.gz ZUQYBRNOZPDWJO-CQSZACIVSA-N 2 2 267.373 0.063 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cnn1C ZINC000903873480 634672722 /nfs/dbraw/zinc/67/27/22/634672722.db2.gz IMGMYTZBBYBGSC-NWANDNLSSA-N 3 2 293.459 0.905 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cnn1C ZINC000903873480 634672724 /nfs/dbraw/zinc/67/27/24/634672724.db2.gz IMGMYTZBBYBGSC-NWANDNLSSA-N 3 2 293.459 0.905 20 0 CCADLP NC(=O)CC1([NH2+]C[C@H]2C[NH2+]CCO2)CCCCC1 ZINC000903874749 634675520 /nfs/dbraw/zinc/67/55/20/634675520.db2.gz ITUQMIZCQZKSNB-LLVKDONJSA-N 2 2 255.362 0.143 20 0 CCADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cnn1C ZINC000903892560 634678380 /nfs/dbraw/zinc/67/83/80/634678380.db2.gz JPEJJYNKTVOAPE-CABCVRRESA-N 3 2 293.459 0.729 20 0 CCADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CC[C@H](C[NH+](C)C)C2)cnn1C ZINC000903892560 634678382 /nfs/dbraw/zinc/67/83/82/634678382.db2.gz JPEJJYNKTVOAPE-CABCVRRESA-N 3 2 293.459 0.729 20 0 CCADLP [NH3+][C@H](CC(F)F)C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000903931836 634690551 /nfs/dbraw/zinc/69/05/51/634690551.db2.gz JHAFPYLVWVQDIR-LLVKDONJSA-N 2 2 273.331 0.973 20 0 CCADLP C[C@@]1(C[N@@H+]2CCN3C(=O)CC[C@H]3C2)CCC[NH2+]C1 ZINC000904335553 634729549 /nfs/dbraw/zinc/72/95/49/634729549.db2.gz FZGCCHHTPWDRKM-GXTWGEPZSA-N 2 2 251.374 0.683 20 0 CCADLP C[C@@]1(C[N@H+]2CCN3C(=O)CC[C@H]3C2)CCC[NH2+]C1 ZINC000904335553 634729553 /nfs/dbraw/zinc/72/95/53/634729553.db2.gz FZGCCHHTPWDRKM-GXTWGEPZSA-N 2 2 251.374 0.683 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(N)nn1 ZINC000904345519 634732543 /nfs/dbraw/zinc/73/25/43/634732543.db2.gz IZORWJRKUAVXHB-RDBSUJKOSA-N 2 2 291.399 0.742 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(N)nn1 ZINC000904345519 634732547 /nfs/dbraw/zinc/73/25/47/634732547.db2.gz IZORWJRKUAVXHB-RDBSUJKOSA-N 2 2 291.399 0.742 20 0 CCADLP O[C@H](C[NH2+]CCn1cc[nH+]c1)C[C@H](O)c1ccccc1 ZINC000905037697 634780658 /nfs/dbraw/zinc/78/06/58/634780658.db2.gz ZJJVSOQBAMWYJE-GJZGRUSLSA-N 2 2 275.352 0.957 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]([N@H+](C)CCO)C1 ZINC001027612016 630801082 /nfs/dbraw/zinc/80/10/82/630801082.db2.gz ZYJCTKMDCJWJCX-OCCSQVGLSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]([N@@H+](C)CCO)C1 ZINC001027612016 630801086 /nfs/dbraw/zinc/80/10/86/630801086.db2.gz ZYJCTKMDCJWJCX-OCCSQVGLSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]([N@H+](C)CCO)C1 ZINC001027612016 630801087 /nfs/dbraw/zinc/80/10/87/630801087.db2.gz ZYJCTKMDCJWJCX-OCCSQVGLSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]([N@@H+](C)CCO)C1 ZINC001027612016 630801089 /nfs/dbraw/zinc/80/10/89/630801089.db2.gz ZYJCTKMDCJWJCX-OCCSQVGLSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@@H](O)C[N@H+](C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027628969 630814032 /nfs/dbraw/zinc/81/40/32/630814032.db2.gz PBCSBYVEDUARRL-VXGBXAGGSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H](O)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001027628969 630814037 /nfs/dbraw/zinc/81/40/37/630814037.db2.gz PBCSBYVEDUARRL-VXGBXAGGSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H]([NH2+]CC1CC1)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC000979424338 630923238 /nfs/dbraw/zinc/92/32/38/630923238.db2.gz DNUOLCDYQNPLIG-YPMHNXCESA-N 2 2 292.383 0.568 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCC[C@@H]([NH2+]CCF)C1 ZINC000981417153 631276654 /nfs/dbraw/zinc/27/66/54/631276654.db2.gz JSKHAHKXKJYBJN-GHMZBOCLSA-N 2 2 268.336 0.939 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC[NH+](CCF)CC1 ZINC000981959675 631349039 /nfs/dbraw/zinc/34/90/39/631349039.db2.gz OEBDPIQUUKWMJV-CHWSQXEVSA-N 2 2 271.380 0.688 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC[NH+](CCF)CC1 ZINC000981959675 631349045 /nfs/dbraw/zinc/34/90/45/631349045.db2.gz OEBDPIQUUKWMJV-CHWSQXEVSA-N 2 2 271.380 0.688 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CCC[N@H+](CCF)CC1 ZINC000981959675 631349052 /nfs/dbraw/zinc/34/90/52/631349052.db2.gz OEBDPIQUUKWMJV-CHWSQXEVSA-N 2 2 271.380 0.688 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H]1C(=O)N1CCC[N@@H+](CCF)CC1 ZINC000981959675 631349055 /nfs/dbraw/zinc/34/90/55/631349055.db2.gz OEBDPIQUUKWMJV-CHWSQXEVSA-N 2 2 271.380 0.688 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925839799 631385598 /nfs/dbraw/zinc/38/55/98/631385598.db2.gz FKLUIOXGJSHCRZ-LSDHHAIUSA-N 3 2 268.449 0.792 20 0 CCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@H]1CC[N@H+]1C)CC2 ZINC000928554322 631983324 /nfs/dbraw/zinc/98/33/24/631983324.db2.gz GHQSFIHIAXNNEE-NWDGAFQWSA-N 2 2 262.357 0.574 20 0 CCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C)CC2 ZINC000928554322 631983334 /nfs/dbraw/zinc/98/33/34/631983334.db2.gz GHQSFIHIAXNNEE-NWDGAFQWSA-N 2 2 262.357 0.574 20 0 CCADLP C[C@H](CC[NH2+][C@@H](C)[C@H]1CCS(=O)(=O)C1)[NH+](C)C ZINC000895428048 632078209 /nfs/dbraw/zinc/07/82/09/632078209.db2.gz FMCHOVLDLXECLG-WOPDTQHZSA-N 2 2 262.419 0.739 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCC[NH+]2CCC2)c[nH+]1 ZINC000897170313 632409178 /nfs/dbraw/zinc/40/91/78/632409178.db2.gz SOUDDFKTZRHCED-UHFFFAOYSA-N 2 2 250.346 0.749 20 0 CCADLP C[C@@H]1[C@H]([NH2+]CCF)CCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000986466837 632758791 /nfs/dbraw/zinc/75/87/91/632758791.db2.gz MDNABZXQFYOENK-ZYHUDNBSSA-N 2 2 298.362 0.898 20 0 CCADLP CC(C)[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC000987612093 632885542 /nfs/dbraw/zinc/88/55/42/632885542.db2.gz SWRQRWOWUVVUFR-VXGBXAGGSA-N 2 2 250.346 0.871 20 0 CCADLP CC(C)[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC000987612089 632885722 /nfs/dbraw/zinc/88/57/22/632885722.db2.gz SWRQRWOWUVVUFR-RYUDHWBXSA-N 2 2 250.346 0.871 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCO)CN1C(=O)c1cccc2[nH+]ccn21 ZINC000989169638 633163126 /nfs/dbraw/zinc/16/31/26/633163126.db2.gz KEJXSJXUELBHHY-NWDGAFQWSA-N 2 2 288.351 0.519 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCc1nnnn1C ZINC000898040713 633272623 /nfs/dbraw/zinc/27/26/23/633272623.db2.gz YKUNNCJAGBVBQR-ZYHUDNBSSA-N 2 2 264.377 0.215 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCc1nnnn1C ZINC000898040713 633272631 /nfs/dbraw/zinc/27/26/31/633272631.db2.gz YKUNNCJAGBVBQR-ZYHUDNBSSA-N 2 2 264.377 0.215 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCCn2ccc(=O)[nH]c2=O)C[N@@H+]1C1CC1 ZINC000898332322 633305000 /nfs/dbraw/zinc/30/50/00/633305000.db2.gz KPLDUJDJYMWMAK-RYUDHWBXSA-N 2 2 292.383 0.554 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CCCn2ccc(=O)[nH]c2=O)C[N@H+]1C1CC1 ZINC000898332322 633305007 /nfs/dbraw/zinc/30/50/07/633305007.db2.gz KPLDUJDJYMWMAK-RYUDHWBXSA-N 2 2 292.383 0.554 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000899242055 633766351 /nfs/dbraw/zinc/76/63/51/633766351.db2.gz RJOQLKODJGJCEJ-GRYCIOLGSA-N 2 2 265.361 0.508 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000899249388 633773061 /nfs/dbraw/zinc/77/30/61/633773061.db2.gz YSPRIWHNJIIDNM-WISYIIOYSA-N 2 2 263.345 0.464 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000899248876 633773140 /nfs/dbraw/zinc/77/31/40/633773140.db2.gz RPSZASMVHWUTFQ-BZPMIXESSA-N 2 2 277.372 0.794 20 0 CCADLP C[N@@H+]1CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1(C)C ZINC000111237489 633837380 /nfs/dbraw/zinc/83/73/80/633837380.db2.gz KSSQQJOHEVTSLB-UHFFFAOYSA-N 2 2 289.445 0.342 20 0 CCADLP C[N@H+]1CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1(C)C ZINC000111237489 633837383 /nfs/dbraw/zinc/83/73/83/633837383.db2.gz KSSQQJOHEVTSLB-UHFFFAOYSA-N 2 2 289.445 0.342 20 0 CCADLP COCC[N@H+](C)Cc1cn(C[C@@H]2CCCC[NH2+]C2)nn1 ZINC000899739857 633882022 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CC(C)[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001009216509 650140009 /nfs/dbraw/zinc/14/00/09/650140009.db2.gz UDBNOUWSWDCSGC-LBPRGKRZSA-N 2 2 264.373 0.952 20 0 CCADLP O=C(N[C@@H]1CCC[N@@H+](CCF)C1)C12CC[NH+](CC1)C2 ZINC001009225566 650140617 /nfs/dbraw/zinc/14/06/17/650140617.db2.gz MWZIQMMSEJOGAN-GFCCVEGCSA-N 2 2 269.364 0.632 20 0 CCADLP O=C(N[C@@H]1CCC[N@H+](CCF)C1)C12CC[NH+](CC1)C2 ZINC001009225566 650140620 /nfs/dbraw/zinc/14/06/20/650140620.db2.gz MWZIQMMSEJOGAN-GFCCVEGCSA-N 2 2 269.364 0.632 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)CC1(O)CCCC1 ZINC000905264757 634831317 /nfs/dbraw/zinc/83/13/17/634831317.db2.gz WHORWKJAJQPYPP-VXGBXAGGSA-N 2 2 279.384 0.913 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2ccccn2)CC1 ZINC000905294596 634834517 /nfs/dbraw/zinc/83/45/17/634834517.db2.gz ZXZRJRZNXNZWPT-UHFFFAOYSA-N 2 2 263.345 0.626 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[N@H+](C[C@@H]2CCOC2)C1 ZINC001009714774 650156447 /nfs/dbraw/zinc/15/64/47/650156447.db2.gz 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MMKPXNIDFQQWHH-AAEUAGOBSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC000941061397 638511620 /nfs/dbraw/zinc/51/16/20/638511620.db2.gz MMKPXNIDFQQWHH-AAEUAGOBSA-N 2 2 294.399 0.550 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCO)C[C@H]1C ZINC000944444571 638769397 /nfs/dbraw/zinc/76/93/97/638769397.db2.gz KCARPPKTCJFBAN-PWSUYJOCSA-N 2 2 280.372 0.080 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCO)C[C@H]1C ZINC000944444571 638769402 /nfs/dbraw/zinc/76/94/02/638769402.db2.gz KCARPPKTCJFBAN-PWSUYJOCSA-N 2 2 280.372 0.080 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC([NH2+]Cc2ccon2)CC1 ZINC000997041387 638849866 /nfs/dbraw/zinc/84/98/66/638849866.db2.gz JREDBLKOLKZCFW-UHFFFAOYSA-N 2 2 289.339 0.721 20 0 CCADLP C[C@H](O)C[NH2+]C1CC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC000999696529 638992316 /nfs/dbraw/zinc/99/23/16/638992316.db2.gz FDALVUPMAQSFQL-UNXYVOJBSA-N 2 2 294.399 0.647 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCC[C@H]([NH2+]CCF)C1 ZINC000999836986 639007142 /nfs/dbraw/zinc/00/71/42/639007142.db2.gz OJLYWJRDZUQOLH-LBPRGKRZSA-N 2 2 268.336 0.823 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)N[C@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1C ZINC000922079878 639481090 /nfs/dbraw/zinc/48/10/90/639481090.db2.gz UKGXMRNPGBXIER-WOPDTQHZSA-N 2 2 277.372 0.590 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)N[C@H]2CCn3cc[nH+]c3C2)CC[N@H+]1C ZINC000922079878 639481095 /nfs/dbraw/zinc/48/10/95/639481095.db2.gz UKGXMRNPGBXIER-WOPDTQHZSA-N 2 2 277.372 0.590 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001003702409 639597104 /nfs/dbraw/zinc/59/71/04/639597104.db2.gz HUXYUHKRNIRLKY-LBPRGKRZSA-N 2 2 292.383 0.569 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001014991733 650512350 /nfs/dbraw/zinc/51/23/50/650512350.db2.gz TWVBBGBQPZKCJY-NWDGAFQWSA-N 2 2 262.357 0.656 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001014991733 650512352 /nfs/dbraw/zinc/51/23/52/650512352.db2.gz TWVBBGBQPZKCJY-NWDGAFQWSA-N 2 2 262.357 0.656 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CCF)CC2)C1 ZINC001004187139 639715168 /nfs/dbraw/zinc/71/51/68/639715168.db2.gz ZGGCOQHXPDPANW-CYBMUJFWSA-N 2 2 287.379 0.257 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](CCF)CC2)C1 ZINC001004187139 639715173 /nfs/dbraw/zinc/71/51/73/639715173.db2.gz ZGGCOQHXPDPANW-CYBMUJFWSA-N 2 2 287.379 0.257 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923280338 640068189 /nfs/dbraw/zinc/06/81/89/640068189.db2.gz XGVLTKFVCIWHTG-XQQFMLRXSA-N 3 2 253.390 0.567 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923280338 640068195 /nfs/dbraw/zinc/06/81/95/640068195.db2.gz XGVLTKFVCIWHTG-XQQFMLRXSA-N 3 2 253.390 0.567 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(F)cc1 ZINC000923293602 640073663 /nfs/dbraw/zinc/07/36/63/640073663.db2.gz YOMPAODXYVALOP-STQMWFEESA-N 2 2 268.332 0.989 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccc(F)cc1 ZINC000923293602 640073671 /nfs/dbraw/zinc/07/36/71/640073671.db2.gz YOMPAODXYVALOP-STQMWFEESA-N 2 2 268.332 0.989 20 0 CCADLP Cc1nc(CN2CC[NH+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)oc1C ZINC000923324521 640086313 /nfs/dbraw/zinc/08/63/13/640086313.db2.gz WYMYNIYODKLZQI-IHRRRGAJSA-N 2 2 294.399 0.260 20 0 CCADLP [NH3+]CC12CCC(CC1)C[N@@H+]2C[C@H](O)COC1CCOCC1 ZINC000923393662 640118527 /nfs/dbraw/zinc/11/85/27/640118527.db2.gz VPKUJEIRUYUBEE-BBBYJDLNSA-N 2 2 298.427 0.746 20 0 CCADLP [NH3+]CC12CCC(CC1)C[N@H+]2C[C@H](O)COC1CCOCC1 ZINC000923393662 640118530 /nfs/dbraw/zinc/11/85/30/640118530.db2.gz VPKUJEIRUYUBEE-BBBYJDLNSA-N 2 2 298.427 0.746 20 0 CCADLP [NH3+]CC12CCC(CC1)C[N@@H+]2CCO[C@H]1CCOC1 ZINC000923393397 640118824 /nfs/dbraw/zinc/11/88/24/640118824.db2.gz POYVRCOEAXISNN-MOKVOYLWSA-N 2 2 254.374 0.995 20 0 CCADLP [NH3+]CC12CCC(CC1)C[N@H+]2CCO[C@H]1CCOC1 ZINC000923393397 640118829 /nfs/dbraw/zinc/11/88/29/640118829.db2.gz POYVRCOEAXISNN-MOKVOYLWSA-N 2 2 254.374 0.995 20 0 CCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@@H+]2CCS[C@@H](C(F)(F)F)C2)C1 ZINC000923432663 640137235 /nfs/dbraw/zinc/13/72/35/640137235.db2.gz OYNXDTDZGZPHDT-XSPKLOCKSA-N 2 2 270.320 0.817 20 0 CCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2CCS[C@@H](C(F)(F)F)C2)C1 ZINC000923432663 640137243 /nfs/dbraw/zinc/13/72/43/640137243.db2.gz OYNXDTDZGZPHDT-XSPKLOCKSA-N 2 2 270.320 0.817 20 0 CCADLP [NH3+][C@@]1(CO)CCC[N@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000923474586 640154463 /nfs/dbraw/zinc/15/44/63/640154463.db2.gz TXALGUALPCWLLH-OCCSQVGLSA-N 2 2 254.374 0.731 20 0 CCADLP [NH3+][C@@]1(CO)CCC[N@@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000923474586 640154469 /nfs/dbraw/zinc/15/44/69/640154469.db2.gz TXALGUALPCWLLH-OCCSQVGLSA-N 2 2 254.374 0.731 20 0 CCADLP [NH3+][C@@]1(CO)CCC[N@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000923474600 640155234 /nfs/dbraw/zinc/15/52/34/640155234.db2.gz UDGJJDAYWAZLNC-CABCVRRESA-N 2 2 264.369 0.376 20 0 CCADLP [NH3+][C@@]1(CO)CCC[N@@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000923474600 640155237 /nfs/dbraw/zinc/15/52/37/640155237.db2.gz UDGJJDAYWAZLNC-CABCVRRESA-N 2 2 264.369 0.376 20 0 CCADLP O=C(CC[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2)N1CCOCC1 ZINC000923534900 640178609 /nfs/dbraw/zinc/17/86/09/640178609.db2.gz SFUZATYJYRALDU-OAHLLOKOSA-N 2 2 281.400 0.453 20 0 CCADLP O=C(CC[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2)N1CCOCC1 ZINC000923534900 640178611 /nfs/dbraw/zinc/17/86/11/640178611.db2.gz SFUZATYJYRALDU-OAHLLOKOSA-N 2 2 281.400 0.453 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001016113091 650683890 /nfs/dbraw/zinc/68/38/90/650683890.db2.gz HRGLCFMLZYGWSO-LLVKDONJSA-N 2 2 250.346 0.860 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](C(C)C)C1 ZINC001016113091 650683891 /nfs/dbraw/zinc/68/38/91/650683891.db2.gz HRGLCFMLZYGWSO-LLVKDONJSA-N 2 2 250.346 0.860 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000823473584 641766160 /nfs/dbraw/zinc/76/61/60/641766160.db2.gz BFBVACFRMYBMKH-KGLIPLIRSA-N 2 2 279.388 0.372 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000823473584 641766166 /nfs/dbraw/zinc/76/61/66/641766166.db2.gz BFBVACFRMYBMKH-KGLIPLIRSA-N 2 2 279.388 0.372 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827264361 641994003 /nfs/dbraw/zinc/99/40/03/641994003.db2.gz AZLVSNKQXJARPH-WCQYABFASA-N 2 2 262.357 0.813 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827264361 641994011 /nfs/dbraw/zinc/99/40/11/641994011.db2.gz AZLVSNKQXJARPH-WCQYABFASA-N 2 2 262.357 0.813 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001016392367 650723795 /nfs/dbraw/zinc/72/37/95/650723795.db2.gz DFFGDKGQBYICJD-AWEZNQCLSA-N 2 2 285.351 0.669 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001016392367 650723797 /nfs/dbraw/zinc/72/37/97/650723797.db2.gz DFFGDKGQBYICJD-AWEZNQCLSA-N 2 2 285.351 0.669 20 0 CCADLP Cc1ccncc1C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016395061 650724909 /nfs/dbraw/zinc/72/49/09/650724909.db2.gz SGQLGFJGTASORZ-OAHLLOKOSA-N 2 2 299.378 0.977 20 0 CCADLP Cc1ccncc1C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001016395061 650724914 /nfs/dbraw/zinc/72/49/14/650724914.db2.gz SGQLGFJGTASORZ-OAHLLOKOSA-N 2 2 299.378 0.977 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC001016397828 650725604 /nfs/dbraw/zinc/72/56/04/650725604.db2.gz OBTWTAMNDQOTEF-UONOGXRCSA-N 2 2 292.383 0.500 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC001016397828 650725607 /nfs/dbraw/zinc/72/56/07/650725607.db2.gz OBTWTAMNDQOTEF-UONOGXRCSA-N 2 2 292.383 0.500 20 0 CCADLP O=C(N1CCC[C@H]1C[NH+]1CCOCC1)[C@]1(F)CC[NH2+]C1 ZINC000830629908 642278889 /nfs/dbraw/zinc/27/88/89/642278889.db2.gz BVWULIKLPIUNII-JSGCOSHPSA-N 2 2 285.363 0.011 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NCCCCCC[NH3+] ZINC000831099207 642313850 /nfs/dbraw/zinc/31/38/50/642313850.db2.gz BMTHSKJAOLAVGK-ZDUSSCGKSA-N 2 2 286.420 0.525 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1CC12CC[NH+](CCF)CC2 ZINC001016994084 650775781 /nfs/dbraw/zinc/77/57/81/650775781.db2.gz HOZVGBMASCHVHE-LBPRGKRZSA-N 2 2 280.347 0.823 20 0 CCADLP [NH3+]CC[N@H+](CCO)C[C@@H]1CCOc2ccccc21 ZINC000841057622 642802052 /nfs/dbraw/zinc/80/20/52/642802052.db2.gz AYVJUYTVSOYORT-LBPRGKRZSA-N 2 2 250.342 0.806 20 0 CCADLP [NH3+]CC[N@@H+](CCO)C[C@@H]1CCOc2ccccc21 ZINC000841057622 642802054 /nfs/dbraw/zinc/80/20/54/642802054.db2.gz AYVJUYTVSOYORT-LBPRGKRZSA-N 2 2 250.342 0.806 20 0 CCADLP Cn1c[nH+]cc1Cc1noc([C@@]2(F)CC[NH2+]C2)n1 ZINC000843199534 643012650 /nfs/dbraw/zinc/01/26/50/643012650.db2.gz FOKYVZPFWMXADD-LLVKDONJSA-N 2 2 251.265 0.552 20 0 CCADLP C[C@H](Cc1nc(N2CC[NH2+]CC2)no1)n1cc[nH+]c1 ZINC000844922782 643255792 /nfs/dbraw/zinc/25/57/92/643255792.db2.gz FYUVNHVFIHSYRC-SNVBAGLBSA-N 2 2 262.317 0.479 20 0 CCADLP CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001017845431 650826123 /nfs/dbraw/zinc/82/61/23/650826123.db2.gz CSXAHYVYFCFZNF-QLFBSQMISA-N 2 2 295.427 0.791 20 0 CCADLP CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001017845431 650826124 /nfs/dbraw/zinc/82/61/24/650826124.db2.gz CSXAHYVYFCFZNF-QLFBSQMISA-N 2 2 295.427 0.791 20 0 CCADLP CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001017845431 650826127 /nfs/dbraw/zinc/82/61/27/650826127.db2.gz CSXAHYVYFCFZNF-QLFBSQMISA-N 2 2 295.427 0.791 20 0 CCADLP CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001017845431 650826129 /nfs/dbraw/zinc/82/61/29/650826129.db2.gz CSXAHYVYFCFZNF-QLFBSQMISA-N 2 2 295.427 0.791 20 0 CCADLP C[C@H](CC(=O)N1CC[N@H+](C)[C@@H](C)C1)n1cc[nH+]c1 ZINC000845637429 643335472 /nfs/dbraw/zinc/33/54/72/643335472.db2.gz DZGCKVBLQZDMSA-NEPJUHHUSA-N 2 2 250.346 0.997 20 0 CCADLP C[C@H](CC(=O)N1CC[N@@H+](C)[C@@H](C)C1)n1cc[nH+]c1 ZINC000845637429 643335480 /nfs/dbraw/zinc/33/54/80/643335480.db2.gz DZGCKVBLQZDMSA-NEPJUHHUSA-N 2 2 250.346 0.997 20 0 CCADLP [NH3+]CC12CCC(CC1)CN2C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000846680149 643443075 /nfs/dbraw/zinc/44/30/75/643443075.db2.gz PYNQZALWPCHUEF-UHFFFAOYSA-N 2 2 289.383 0.399 20 0 CCADLP [NH3+]C[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000848393844 643631348 /nfs/dbraw/zinc/63/13/48/643631348.db2.gz JRJZWEXMHHSFNY-VXGBXAGGSA-N 2 2 262.357 0.643 20 0 CCADLP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848431413 643636816 /nfs/dbraw/zinc/63/68/16/643636816.db2.gz JQANOSOSUKBVTN-WUHRBBMRSA-N 2 2 283.416 0.741 20 0 CCADLP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848431413 643636819 /nfs/dbraw/zinc/63/68/19/643636819.db2.gz JQANOSOSUKBVTN-WUHRBBMRSA-N 2 2 283.416 0.741 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848722591 643670987 /nfs/dbraw/zinc/67/09/87/643670987.db2.gz VPBAMBXGVYQERZ-NQBHXWOUSA-N 2 2 283.372 0.326 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H](O)c2ccccn2)CC1 ZINC000851860155 643891648 /nfs/dbraw/zinc/89/16/48/643891648.db2.gz FXLVJSPCBPAZSJ-CQSZACIVSA-N 2 2 287.367 0.671 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852296167 643950338 /nfs/dbraw/zinc/95/03/38/643950338.db2.gz RBNWRSHGQDTVER-UHFFFAOYSA-N 2 2 260.341 0.832 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852296167 643950341 /nfs/dbraw/zinc/95/03/41/643950341.db2.gz RBNWRSHGQDTVER-UHFFFAOYSA-N 2 2 260.341 0.832 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C[C@H]([NH3+])C2CC2)[C@@H](C)CO1 ZINC000852847928 644021800 /nfs/dbraw/zinc/02/18/00/644021800.db2.gz YZDYBRJWZFVJOQ-LOWVWBTDSA-N 2 2 269.389 0.339 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C[C@H]([NH3+])C2CC2)[C@@H](C)CO1 ZINC000852847928 644021802 /nfs/dbraw/zinc/02/18/02/644021802.db2.gz YZDYBRJWZFVJOQ-LOWVWBTDSA-N 2 2 269.389 0.339 20 0 CCADLP [NH3+]C[C@H]1CC(C(=O)NCCCNc2cccc[nH+]2)=NO1 ZINC000852859521 644027573 /nfs/dbraw/zinc/02/75/73/644027573.db2.gz WBXHCXBGBDPVFS-SNVBAGLBSA-N 2 2 277.328 0.103 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001018628975 650886607 /nfs/dbraw/zinc/88/66/07/650886607.db2.gz VQEMBQOIYMBYQV-JQWIXIFHSA-N 2 2 295.412 0.323 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cnsn2)C1 ZINC001018628975 650886608 /nfs/dbraw/zinc/88/66/08/650886608.db2.gz VQEMBQOIYMBYQV-JQWIXIFHSA-N 2 2 295.412 0.323 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000857888636 644574022 /nfs/dbraw/zinc/57/40/22/644574022.db2.gz YFMYDIPZZPZESM-LBPRGKRZSA-N 2 2 273.340 0.909 20 0 CCADLP C[C@](O)(C[C@@H](O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)C1CC1 ZINC000863970044 645152719 /nfs/dbraw/zinc/15/27/19/645152719.db2.gz NLLALPJMDCQYDR-HIFRSBDPSA-N 2 2 294.399 0.444 20 0 CCADLP CC(C)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001019655067 650996278 /nfs/dbraw/zinc/99/62/78/650996278.db2.gz JUROINKZQNVBOW-LBPRGKRZSA-N 2 2 264.373 0.809 20 0 CCADLP Cc1nc(NC2CC[NH+](C[C@H]3CCCO3)CC2)nc(N)[nH+]1 ZINC000865441815 645368205 /nfs/dbraw/zinc/36/82/05/645368205.db2.gz ZGPLISUBUCFNLR-GFCCVEGCSA-N 2 2 292.387 0.818 20 0 CCADLP O=C([C@@H](O)c1c[nH+]c[nH]1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000865576601 645382995 /nfs/dbraw/zinc/38/29/95/645382995.db2.gz QJIZSYCYPXMUIL-YPMHNXCESA-N 2 2 278.356 0.530 20 0 CCADLP C[C@@H]1CC[N@H+](CCNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000866272336 645513030 /nfs/dbraw/zinc/51/30/30/645513030.db2.gz VJFVWOACSYFSPA-BAABZTOOSA-N 2 2 281.400 0.333 20 0 CCADLP C[C@@H]1CC[N@@H+](CCNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC000866272336 645513048 /nfs/dbraw/zinc/51/30/48/645513048.db2.gz VJFVWOACSYFSPA-BAABZTOOSA-N 2 2 281.400 0.333 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000866415056 645527536 /nfs/dbraw/zinc/52/75/36/645527536.db2.gz WHYKFNOAZRYVFF-IPYPFGDCSA-N 2 2 281.444 0.904 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000866415056 645527544 /nfs/dbraw/zinc/52/75/44/645527544.db2.gz WHYKFNOAZRYVFF-IPYPFGDCSA-N 2 2 281.444 0.904 20 0 CCADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866415056 645527553 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C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCN1C(=O)CNC1=O ZINC000931727604 649022921 /nfs/dbraw/zinc/02/29/21/649022921.db2.gz VFLHGZYHYJXBGK-NWDGAFQWSA-N 2 2 280.372 0.097 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCCN1C(=O)CNC1=O ZINC000931727604 649022925 /nfs/dbraw/zinc/02/29/25/649022925.db2.gz VFLHGZYHYJXBGK-NWDGAFQWSA-N 2 2 280.372 0.097 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCCN1C(=O)CNC1=O ZINC000931727604 649022926 /nfs/dbraw/zinc/02/29/26/649022926.db2.gz VFLHGZYHYJXBGK-NWDGAFQWSA-N 2 2 280.372 0.097 20 0 CCADLP C[N@@H+]1CC[C@](O)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000935400920 649230776 /nfs/dbraw/zinc/23/07/76/649230776.db2.gz WPWUWADVTDARDN-AWEZNQCLSA-N 2 2 274.324 0.359 20 0 CCADLP C[N@H+]1CC[C@](O)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC000935400920 649230778 /nfs/dbraw/zinc/23/07/78/649230778.db2.gz WPWUWADVTDARDN-AWEZNQCLSA-N 2 2 274.324 0.359 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000950731953 649490768 /nfs/dbraw/zinc/49/07/68/649490768.db2.gz CNVHNVFPUYXYPK-AWEZNQCLSA-N 2 2 292.383 0.666 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000950808111 649500284 /nfs/dbraw/zinc/50/02/84/649500284.db2.gz NAGRNZUPYVCNNK-CYBMUJFWSA-N 2 2 292.383 0.523 20 0 CCADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1cc[nH+]c(N)n1 ZINC001164925652 721874000 /nfs/dbraw/zinc/87/40/00/721874000.db2.gz PANUWQPEQZKEDS-NWDGAFQWSA-N 2 2 276.388 0.273 20 0 CCADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1cc(N)[nH+]cn1 ZINC001164926779 721876729 /nfs/dbraw/zinc/87/67/29/721876729.db2.gz SJQKJELFBQFBHJ-RYUDHWBXSA-N 2 2 276.388 0.273 20 0 CCADLP c1nc(N2CC[NH+](C[C@H]3CCCO3)CC2)nc2c1C[NH2+]C2 ZINC001165036466 721909009 /nfs/dbraw/zinc/90/90/09/721909009.db2.gz CNVAOSOASKLWOD-CYBMUJFWSA-N 2 2 289.383 0.381 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC1CC[NH+](CCCO)CC1 ZINC001230163784 805585639 /nfs/dbraw/zinc/58/56/39/805585639.db2.gz IYHCPDQOOFHNKV-UHFFFAOYSA-N 2 2 294.399 0.316 20 0 CCADLP C[C@H](O)C[NH+]1CCC(NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001230434757 805601821 /nfs/dbraw/zinc/60/18/21/805601821.db2.gz UHTLKMYVDLENQY-ZDUSSCGKSA-N 2 2 294.399 0.625 20 0 CCADLP CN1CC[C@@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000705328008 790448550 /nfs/dbraw/zinc/44/85/50/790448550.db2.gz PWMPKYDWPXBOIH-IAGOWNOFSA-N 2 2 289.423 0.917 20 0 CCADLP CN1CC[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000705328008 790448557 /nfs/dbraw/zinc/44/85/57/790448557.db2.gz PWMPKYDWPXBOIH-IAGOWNOFSA-N 2 2 289.423 0.917 20 0 CCADLP [NH3+]Cc1cc(N2CCC(n3cc[nH+]c3)CC2)ncn1 ZINC001167123896 790619671 /nfs/dbraw/zinc/61/96/71/790619671.db2.gz NXYXNMIHRXTDAB-UHFFFAOYSA-N 2 2 258.329 0.973 20 0 CCADLP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC001209730331 790682129 /nfs/dbraw/zinc/68/21/29/790682129.db2.gz HDAFTOHSDSETRP-ZDUSSCGKSA-N 2 2 262.313 0.569 20 0 CCADLP Nc1cc[nH+]cc1C[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC001209730331 790682134 /nfs/dbraw/zinc/68/21/34/790682134.db2.gz HDAFTOHSDSETRP-ZDUSSCGKSA-N 2 2 262.313 0.569 20 0 CCADLP CC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001075369653 790691223 /nfs/dbraw/zinc/69/12/23/790691223.db2.gz WLTGQGOCYKSBMY-OLZOCXBDSA-N 2 2 264.373 0.977 20 0 CCADLP C(C[NH+]1CCOCC1)O[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001210208547 790824385 /nfs/dbraw/zinc/82/43/85/790824385.db2.gz UGFIZPWGICGTGK-WKILWMFISA-N 2 2 298.427 0.979 20 0 CCADLP C[C@@H](CC(=O)NCCC[NH2+]C[C@@H]1CCOC1)n1cc[nH+]c1 ZINC001167428003 791061894 /nfs/dbraw/zinc/06/18/94/791061894.db2.gz FIKRNHMMOUXBOQ-KBPBESRZSA-N 2 2 294.399 0.967 20 0 CCADLP CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001087141096 791111781 /nfs/dbraw/zinc/11/17/81/791111781.db2.gz BJTCFRKVCWOKOW-RDBSUJKOSA-N 2 2 283.416 0.554 20 0 CCADLP CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001087141096 791111787 /nfs/dbraw/zinc/11/17/87/791111787.db2.gz BJTCFRKVCWOKOW-RDBSUJKOSA-N 2 2 283.416 0.554 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001277610554 805898650 /nfs/dbraw/zinc/89/86/50/805898650.db2.gz ONLRSNWPQAKDPM-UHFFFAOYSA-N 2 2 269.389 0.260 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001277610554 805898654 /nfs/dbraw/zinc/89/86/54/805898654.db2.gz ONLRSNWPQAKDPM-UHFFFAOYSA-N 2 2 269.389 0.260 20 0 CCADLP Cc1[nH+]c(N)ccc1CN(CC[NH+](C)C)CC[NH+](C)C ZINC001232343851 805924768 /nfs/dbraw/zinc/92/47/68/805924768.db2.gz HKPQKNMBTPQBIS-UHFFFAOYSA-N 3 2 279.432 0.897 20 0 CCADLP CCOCC[NH+]1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001277682942 805959615 /nfs/dbraw/zinc/95/96/15/805959615.db2.gz YYKOBLPRUGBFGT-CYBMUJFWSA-N 2 2 283.416 0.507 20 0 CCADLP CCOCC[NH+]1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001277682942 805959619 /nfs/dbraw/zinc/95/96/19/805959619.db2.gz YYKOBLPRUGBFGT-CYBMUJFWSA-N 2 2 283.416 0.507 20 0 CCADLP CN(C)C(=O)C[NH+]1CC2(CN(c3cc[nH+]cc3)C2)C1 ZINC001277693081 805964365 /nfs/dbraw/zinc/96/43/65/805964365.db2.gz DRRZIFOUVHNPLZ-UHFFFAOYSA-N 2 2 260.341 0.292 20 0 CCADLP Cc1cc(NC2CC2)nc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)[nH+]1 ZINC001277737557 805998042 /nfs/dbraw/zinc/99/80/42/805998042.db2.gz AKJBZVFQBZVPBS-STQMWFEESA-N 2 2 289.383 0.879 20 0 CCADLP Cc1cc(NC2CC2)nc(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)[nH+]1 ZINC001277737557 805998046 /nfs/dbraw/zinc/99/80/46/805998046.db2.gz AKJBZVFQBZVPBS-STQMWFEESA-N 2 2 289.383 0.879 20 0 CCADLP C[NH+](C)C[C@@H]1CN(Cc2cccc(N)[nH+]2)CCO1 ZINC001233369672 806046819 /nfs/dbraw/zinc/04/68/19/806046819.db2.gz YECXSEXSOZHIKG-GFCCVEGCSA-N 2 2 250.346 0.426 20 0 CCADLP CCOCC[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001266810647 791254365 /nfs/dbraw/zinc/25/43/65/791254365.db2.gz DAILRHYZVVSGOB-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP COC[C@@H](C)[NH2+][C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001266990922 791425083 /nfs/dbraw/zinc/42/50/83/791425083.db2.gz WWLLWZMQYBDCKR-NXEZZACHSA-N 2 2 268.361 0.390 20 0 CCADLP COC[C@H](C)[NH2+][C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001266990925 791425369 /nfs/dbraw/zinc/42/53/69/791425369.db2.gz WWLLWZMQYBDCKR-ZJUUUORDSA-N 2 2 268.361 0.390 20 0 CCADLP CC[C@H](C)[N@H+](C)CCNC(=O)C[C@H]([NH3+])C(F)F ZINC000724714394 791703652 /nfs/dbraw/zinc/70/36/52/791703652.db2.gz AZLJKYMYOQYJMJ-IUCAKERBSA-N 2 2 251.321 0.815 20 0 CCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)C[C@H]([NH3+])C(F)F ZINC000724714394 791703657 /nfs/dbraw/zinc/70/36/57/791703657.db2.gz AZLJKYMYOQYJMJ-IUCAKERBSA-N 2 2 251.321 0.815 20 0 CCADLP CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1[nH]c(C)[nH+]c1C)C2 ZINC001234610627 806287529 /nfs/dbraw/zinc/28/75/29/806287529.db2.gz WQJQQSTWMBQGSM-UKRRQHHQSA-N 2 2 292.383 0.754 20 0 CCADLP CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+](Cc1[nH]c(C)[nH+]c1C)C2 ZINC001234610627 806287534 /nfs/dbraw/zinc/28/75/34/806287534.db2.gz WQJQQSTWMBQGSM-UKRRQHHQSA-N 2 2 292.383 0.754 20 0 CCADLP CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001235038866 806350599 /nfs/dbraw/zinc/35/05/99/806350599.db2.gz QXODYGAAVASGPJ-MELADBBJSA-N 2 2 251.374 0.681 20 0 CCADLP CC(=O)N1CCC[C@H](C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC001235038866 806350609 /nfs/dbraw/zinc/35/06/09/806350609.db2.gz QXODYGAAVASGPJ-MELADBBJSA-N 2 2 251.374 0.681 20 0 CCADLP c1cc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c2nccnc2c1 ZINC001235056174 806360249 /nfs/dbraw/zinc/36/02/49/806360249.db2.gz ZKRGLABKSBOUMU-INIZCTEOSA-N 2 2 283.379 0.767 20 0 CCADLP c1cc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c2nccnc2c1 ZINC001235056174 806360259 /nfs/dbraw/zinc/36/02/59/806360259.db2.gz ZKRGLABKSBOUMU-INIZCTEOSA-N 2 2 283.379 0.767 20 0 CCADLP O[C@]1(C[N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)CCC[NH2+]C1 ZINC001246059691 807137711 /nfs/dbraw/zinc/13/77/11/807137711.db2.gz LVASUMMWZNOZLF-BFHYXJOUSA-N 3 2 253.390 0.175 20 0 CCADLP O[C@]1(C[N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)CCC[NH2+]C1 ZINC001246059691 807137715 /nfs/dbraw/zinc/13/77/15/807137715.db2.gz LVASUMMWZNOZLF-BFHYXJOUSA-N 3 2 253.390 0.175 20 0 CCADLP c1[nH]c2cccnc2c1C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235065208 806367307 /nfs/dbraw/zinc/36/73/07/806367307.db2.gz VHSYFBFFKSWPSB-OAHLLOKOSA-N 2 2 271.368 0.700 20 0 CCADLP c1[nH]c2cccnc2c1C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235065208 806367317 /nfs/dbraw/zinc/36/73/17/806367317.db2.gz VHSYFBFFKSWPSB-OAHLLOKOSA-N 2 2 271.368 0.700 20 0 CCADLP CC[C@@]1(C(=O)OC)C[C@H](NC2CC[NH2+]CC2)C[NH2+]1 ZINC001246071938 807141136 /nfs/dbraw/zinc/14/11/36/807141136.db2.gz DQKOASJFSQOVDE-AAEUAGOBSA-N 2 2 255.362 0.012 20 0 CCADLP c1cc(C[N@@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)cc(N2CC[NH2+]CC2)c1 ZINC001235262371 806395989 /nfs/dbraw/zinc/39/59/89/806395989.db2.gz QRRCYXSXXQOPAM-RDJZCZTQSA-N 3 2 286.423 0.890 20 0 CCADLP c1cc(C[N@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)cc(N2CC[NH2+]CC2)c1 ZINC001235262371 806395997 /nfs/dbraw/zinc/39/59/97/806395997.db2.gz QRRCYXSXXQOPAM-RDJZCZTQSA-N 3 2 286.423 0.890 20 0 CCADLP CCOC(=O)[C@H]1C[C@@H]2C[N@H+](CC[C@@H]3CCCC[NH2+]3)C[C@@H]2N1 ZINC001235266723 806398929 /nfs/dbraw/zinc/39/89/29/806398929.db2.gz FQYRFQMYCHTNPF-BARDWOONSA-N 2 2 295.427 0.744 20 0 CCADLP CCOC(=O)[C@H]1C[C@@H]2C[N@@H+](CC[C@@H]3CCCC[NH2+]3)C[C@@H]2N1 ZINC001235266723 806398939 /nfs/dbraw/zinc/39/89/39/806398939.db2.gz FQYRFQMYCHTNPF-BARDWOONSA-N 2 2 295.427 0.744 20 0 CCADLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](CCCCO)C[C@@H]3C2)cn1 ZINC001235531804 806446876 /nfs/dbraw/zinc/44/68/76/806446876.db2.gz VLWGFNJMQNNVEK-HZPDHXFCSA-N 2 2 292.427 0.946 20 0 CCADLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](CCCCO)C[C@@H]3C2)cn1 ZINC001235531804 806446880 /nfs/dbraw/zinc/44/68/80/806446880.db2.gz VLWGFNJMQNNVEK-HZPDHXFCSA-N 2 2 292.427 0.946 20 0 CCADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](CCCCO)C[C@@H]3C2)cn1 ZINC001235531804 806446887 /nfs/dbraw/zinc/44/68/87/806446887.db2.gz VLWGFNJMQNNVEK-HZPDHXFCSA-N 2 2 292.427 0.946 20 0 CCADLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](CCCCO)C[C@@H]3C2)cn1 ZINC001235531804 806446895 /nfs/dbraw/zinc/44/68/95/806446895.db2.gz VLWGFNJMQNNVEK-HZPDHXFCSA-N 2 2 292.427 0.946 20 0 CCADLP [NH3+]CC[NH+]1CCC2(C[C@@H](CC(=O)N3CCCC3)CO2)CC1 ZINC001235557091 806454758 /nfs/dbraw/zinc/45/47/58/806454758.db2.gz DNQXYYDXXFJGCS-CQSZACIVSA-N 2 2 295.427 0.829 20 0 CCADLP C[C@H]([NH3+])C[NH+]1CCC2(CC1)NC(=O)C[C@H]2c1cnn(C)c1 ZINC001235582330 806463870 /nfs/dbraw/zinc/46/38/70/806463870.db2.gz HPYFCWJCSSVWNZ-AAEUAGOBSA-N 2 2 291.399 0.205 20 0 CCADLP C[C@H](O)C[NH+]1CC2(CCN2C(=O)[C@@H]2CC3CC[NH+]2CC3)C1 ZINC001277955737 806471621 /nfs/dbraw/zinc/47/16/21/806471621.db2.gz UILFXJLWASQKTL-JSGCOSHPSA-N 2 2 293.411 0.138 20 0 CCADLP C[C@@H]([NH3+])C[NH+]1CCC2(C[C@@H](c3cccnc3)C(=O)N2)CC1 ZINC001235618959 806475450 /nfs/dbraw/zinc/47/54/50/806475450.db2.gz NCSFFVVPTOHABJ-OCCSQVGLSA-N 2 2 288.395 0.867 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@@H]2CC[NH+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001277961110 806488217 /nfs/dbraw/zinc/48/82/17/806488217.db2.gz RSYLIIYKZIFSQK-OAGGEKHMSA-N 3 2 292.427 0.908 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@@H]2CC[NH+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001277961110 806488224 /nfs/dbraw/zinc/48/82/24/806488224.db2.gz RSYLIIYKZIFSQK-OAGGEKHMSA-N 3 2 292.427 0.908 20 0 CCADLP C[C@@H](O)C[NH+]1C[C@@H]2CC[N@@H+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001277961110 806488229 /nfs/dbraw/zinc/48/82/29/806488229.db2.gz RSYLIIYKZIFSQK-OAGGEKHMSA-N 3 2 292.427 0.908 20 0 CCADLP C[C@@H](O)C[NH+]1C[C@@H]2CC[N@H+](CCn3cc[nH+]c3)CC[C@@H]2C1 ZINC001277961110 806488232 /nfs/dbraw/zinc/48/82/32/806488232.db2.gz RSYLIIYKZIFSQK-OAGGEKHMSA-N 3 2 292.427 0.908 20 0 CCADLP COC(=O)[C@H]1C[C@@H]([NH3+])C[N@H+](CCC2CC[NH2+]CC2)C1 ZINC001235779088 806501264 /nfs/dbraw/zinc/50/12/64/806501264.db2.gz WTOJNGOYLRXSDJ-QWHCGFSZSA-N 3 2 269.389 0.198 20 0 CCADLP COC(=O)[C@H]1C[C@@H]([NH3+])C[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC001235779088 806501269 /nfs/dbraw/zinc/50/12/69/806501269.db2.gz WTOJNGOYLRXSDJ-QWHCGFSZSA-N 3 2 269.389 0.198 20 0 CCADLP COC(=O)c1ccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])s1 ZINC001235993221 806524400 /nfs/dbraw/zinc/52/44/00/806524400.db2.gz GGQPIWLUJHUWDX-HWYHXSKPSA-N 2 2 296.392 0.940 20 0 CCADLP COC(=O)c1ccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])s1 ZINC001235993221 806524407 /nfs/dbraw/zinc/52/44/07/806524407.db2.gz GGQPIWLUJHUWDX-HWYHXSKPSA-N 2 2 296.392 0.940 20 0 CCADLP CC1(C)[NH2+]C[C@@H](CN2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)O1 ZINC001236077900 806543466 /nfs/dbraw/zinc/54/34/66/806543466.db2.gz DMBPMTSPQLMERZ-KGLIPLIRSA-N 3 2 282.432 0.066 20 0 CCADLP Cc1ccccc1C[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236310485 806566134 /nfs/dbraw/zinc/56/61/34/806566134.db2.gz ZPUIBBUDPOXCTC-UHFFFAOYSA-N 3 2 292.427 0.611 20 0 CCADLP Cc1ccccc1C[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+] ZINC001236310485 806566139 /nfs/dbraw/zinc/56/61/39/806566139.db2.gz ZPUIBBUDPOXCTC-UHFFFAOYSA-N 3 2 292.427 0.611 20 0 CCADLP Cc1ccc(C[N@H+](CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001236309630 806566886 /nfs/dbraw/zinc/56/68/86/806566886.db2.gz OCXZFIOKPZDKNK-UHFFFAOYSA-N 3 2 292.427 0.611 20 0 CCADLP Cc1ccc(C[N@@H+](CCC[NH3+])CC(=O)NCCC[NH3+])cc1 ZINC001236309630 806566890 /nfs/dbraw/zinc/56/68/90/806566890.db2.gz OCXZFIOKPZDKNK-UHFFFAOYSA-N 3 2 292.427 0.611 20 0 CCADLP COC(=O)[C@H]1CN(Cc2c[nH+]c3c(C)cccn23)C[C@@H]1[NH3+] ZINC001236346238 806575958 /nfs/dbraw/zinc/57/59/58/806575958.db2.gz SHAJFDGPKHCNSO-STQMWFEESA-N 2 2 288.351 0.575 20 0 CCADLP Cc1nc(C)c(C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)o1 ZINC001236600886 806596086 /nfs/dbraw/zinc/59/60/86/806596086.db2.gz GZBZGWJFDOBTGF-CYBMUJFWSA-N 2 2 294.399 0.934 20 0 CCADLP Cc1nc(C)c(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)o1 ZINC001236600886 806596091 /nfs/dbraw/zinc/59/60/91/806596091.db2.gz GZBZGWJFDOBTGF-CYBMUJFWSA-N 2 2 294.399 0.934 20 0 CCADLP C[C@H](CO)C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001277993799 806600582 /nfs/dbraw/zinc/60/05/82/806600582.db2.gz BXDAOJDEDPIDMQ-HOCLYGCPSA-N 2 2 297.443 0.491 20 0 CCADLP C[C@H](CO)C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)N(C)C)C2)C1 ZINC001277993799 806600585 /nfs/dbraw/zinc/60/05/85/806600585.db2.gz BXDAOJDEDPIDMQ-HOCLYGCPSA-N 2 2 297.443 0.491 20 0 CCADLP C[C@H](CO)C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001277993799 806600588 /nfs/dbraw/zinc/60/05/88/806600588.db2.gz BXDAOJDEDPIDMQ-HOCLYGCPSA-N 2 2 297.443 0.491 20 0 CCADLP C[C@H](CO)C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001277993799 806600594 /nfs/dbraw/zinc/60/05/94/806600594.db2.gz BXDAOJDEDPIDMQ-HOCLYGCPSA-N 2 2 297.443 0.491 20 0 CCADLP CC[C@H]([NH3+])C[N@H+](C)CC1=C2CCOC(=O)C2=CN[C@@H]1C ZINC001236866092 806616229 /nfs/dbraw/zinc/61/62/29/806616229.db2.gz RZQSJSWINCPQFX-MNOVXSKESA-N 2 2 279.384 0.775 20 0 CCADLP CC[C@H]([NH3+])C[N@@H+](C)CC1=C2CCOC(=O)C2=CN[C@@H]1C ZINC001236866092 806616233 /nfs/dbraw/zinc/61/62/33/806616233.db2.gz RZQSJSWINCPQFX-MNOVXSKESA-N 2 2 279.384 0.775 20 0 CCADLP CN(C)C(=O)C[NH+]1CC2(C1)CC[NH+](CCC[NH+](C)C)CC2 ZINC001278049408 806637768 /nfs/dbraw/zinc/63/77/68/806637768.db2.gz IVRVFBGSXUYDDL-UHFFFAOYSA-N 3 2 296.459 0.424 20 0 CCADLP CCOC(=O)[C@@H]1C[N@H+](C[C@H]2CCC[NH2+]2)CCC12C[NH2+]C2 ZINC001237408523 806661701 /nfs/dbraw/zinc/66/17/01/806661701.db2.gz CDISDHGTPZBUAX-OLZOCXBDSA-N 3 2 281.400 0.213 20 0 CCADLP CCOC(=O)[C@@H]1C[N@@H+](C[C@H]2CCC[NH2+]2)CCC12C[NH2+]C2 ZINC001237408523 806661705 /nfs/dbraw/zinc/66/17/05/806661705.db2.gz CDISDHGTPZBUAX-OLZOCXBDSA-N 3 2 281.400 0.213 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H](N[C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246127733 807161047 /nfs/dbraw/zinc/16/10/47/807161047.db2.gz MYOWBMWGRAMDFJ-GMXVVIOVSA-N 2 2 255.362 0.012 20 0 CCADLP OC/C=C\C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001120583902 798877703 /nfs/dbraw/zinc/87/77/03/798877703.db2.gz SYMYNDZZIBMOKB-YIEVGGLXSA-N 2 2 276.380 0.762 20 0 CCADLP OC/C=C\C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC001120583902 798877708 /nfs/dbraw/zinc/87/77/08/798877708.db2.gz SYMYNDZZIBMOKB-YIEVGGLXSA-N 2 2 276.380 0.762 20 0 CCADLP C[C@@H]1C[NH+](CCCNc2cc[nH+]c(N)n2)C[C@@H](C)O1 ZINC001120796808 798938973 /nfs/dbraw/zinc/93/89/73/798938973.db2.gz FXBPLWLJWNKVFH-GHMZBOCLSA-N 2 2 265.361 0.970 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC1CC2(C1)CC([NH2+]CCO)C2 ZINC001121494051 799052105 /nfs/dbraw/zinc/05/21/05/799052105.db2.gz JYZGPXHPDGOIDC-UHFFFAOYSA-N 2 2 292.383 0.283 20 0 CCADLP COCC[NH2+]C1CC2(CC(NC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001121835482 799074212 /nfs/dbraw/zinc/07/42/12/799074212.db2.gz NTDBBYAWRSGTPZ-UHFFFAOYSA-N 2 2 292.383 0.616 20 0 CCADLP C[C@H]([NH3+])C1(C(=O)NCCc2[nH]cc[nH+]2)CCOCC1 ZINC001122003827 799119084 /nfs/dbraw/zinc/11/90/84/799119084.db2.gz HEAPXBZXNSMNSB-JTQLQIEISA-N 2 2 266.345 0.212 20 0 CCADLP C[C@H]([NH3+])CONC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC001122024400 799125910 /nfs/dbraw/zinc/12/59/10/799125910.db2.gz XIPOSETVUDZCAA-NSHDSACASA-N 2 2 295.387 0.027 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)NCC[NH+]2CCC([NH3+])CC2)CCO1 ZINC001122157616 799157132 /nfs/dbraw/zinc/15/71/32/799157132.db2.gz QCZPAYLDQVHMBC-NEPJUHHUSA-N 2 2 269.389 0.341 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC001122174748 799161282 /nfs/dbraw/zinc/16/12/82/799161282.db2.gz UDCATAJXNJCWFA-JHJVBQTASA-N 2 2 269.389 0.211 20 0 CCADLP CC(C)(C(=O)N1CC[C@H](CC[NH3+])C1)c1c[nH+]c[nH]1 ZINC001122212506 799170805 /nfs/dbraw/zinc/17/08/05/799170805.db2.gz RXJQFGRBCRWJHH-JTQLQIEISA-N 2 2 250.346 0.885 20 0 CCADLP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NCCCn3cc[nH+]c3)[C@H]2C1 ZINC001123568643 799434240 /nfs/dbraw/zinc/43/42/40/799434240.db2.gz FZCJYKVLSYIGSU-IHRRRGAJSA-N 2 2 291.399 0.913 20 0 CCADLP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)NCCCn3cc[nH+]c3)[C@H]2C1 ZINC001123568643 799434244 /nfs/dbraw/zinc/43/42/44/799434244.db2.gz FZCJYKVLSYIGSU-IHRRRGAJSA-N 2 2 291.399 0.913 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CC[NH2+]C(C)(C)C1 ZINC001123635303 799444320 /nfs/dbraw/zinc/44/43/20/799444320.db2.gz RSRPHDZXGHDKFS-UHFFFAOYSA-N 2 2 250.346 0.563 20 0 CCADLP C[C@@]1(CO)C[N@H+](Cc2cccc3c[nH+]cn32)CC[C@@H]1O ZINC001238107299 806750074 /nfs/dbraw/zinc/75/00/74/806750074.db2.gz OZUVSIOVBAYUDJ-GJZGRUSLSA-N 2 2 275.352 0.900 20 0 CCADLP C[C@@]1(CO)C[N@@H+](Cc2cccc3c[nH+]cn32)CC[C@@H]1O ZINC001238107299 806750077 /nfs/dbraw/zinc/75/00/77/806750077.db2.gz OZUVSIOVBAYUDJ-GJZGRUSLSA-N 2 2 275.352 0.900 20 0 CCADLP CCC[NH+]1CC2(C1)CC[C@@H](C(=O)NC1CC[NH+](C)CC1)O2 ZINC001278192133 806755227 /nfs/dbraw/zinc/75/52/27/806755227.db2.gz UJDNOXZVHRKKIP-AWEZNQCLSA-N 2 2 295.427 0.840 20 0 CCADLP Cc1ccc2[nH+]cc(CNS(=O)(=O)CC[NH3+])n2c1 ZINC001238182735 806769194 /nfs/dbraw/zinc/76/91/94/806769194.db2.gz RFPLNSWSEKMTQQ-UHFFFAOYSA-N 2 2 268.342 0.021 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC([NH2+]CCCO)CC1 ZINC001202864448 799751620 /nfs/dbraw/zinc/75/16/20/799751620.db2.gz WEZNJHMWOKVCFP-GFCCVEGCSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC([NH2+]CCCO)CC1 ZINC001202864448 799751621 /nfs/dbraw/zinc/75/16/21/799751621.db2.gz WEZNJHMWOKVCFP-GFCCVEGCSA-N 2 2 294.399 0.551 20 0 CCADLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C1 ZINC001139092657 799778095 /nfs/dbraw/zinc/77/80/95/799778095.db2.gz CUFJWKAKCFDKAE-OKILXGFUSA-N 2 2 284.367 0.860 20 0 CCADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C1 ZINC001139092657 799778099 /nfs/dbraw/zinc/77/80/99/799778099.db2.gz CUFJWKAKCFDKAE-OKILXGFUSA-N 2 2 284.367 0.860 20 0 CCADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C1 ZINC001139092657 799778103 /nfs/dbraw/zinc/77/81/03/799778103.db2.gz CUFJWKAKCFDKAE-OKILXGFUSA-N 2 2 284.367 0.860 20 0 CCADLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C1 ZINC001139092657 799778108 /nfs/dbraw/zinc/77/81/08/799778108.db2.gz CUFJWKAKCFDKAE-OKILXGFUSA-N 2 2 284.367 0.860 20 0 CCADLP COC1CC[NH+](C2CC[NH+](C[C@H]3CCC(=O)N3)CC2)CC1 ZINC001202902705 799787811 /nfs/dbraw/zinc/78/78/11/799787811.db2.gz KNVAVMIHZADTJO-CYBMUJFWSA-N 2 2 295.427 0.840 20 0 CCADLP Cc1cc(=O)n2nc(C[N@H+](C)CCC[NH3+])sc2n1 ZINC000123281625 800053875 /nfs/dbraw/zinc/05/38/75/800053875.db2.gz MOWAHNMRJANKAL-UHFFFAOYSA-N 2 2 267.358 0.240 20 0 CCADLP Cc1cc(=O)n2nc(C[N@@H+](C)CCC[NH3+])sc2n1 ZINC000123281625 800053881 /nfs/dbraw/zinc/05/38/81/800053881.db2.gz MOWAHNMRJANKAL-UHFFFAOYSA-N 2 2 267.358 0.240 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)CC[NH+]1CCCCC1 ZINC001142923566 800174508 /nfs/dbraw/zinc/17/45/08/800174508.db2.gz DBEPXPMWERWGBA-CQSZACIVSA-N 2 2 283.416 0.699 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CC[NH+]1CCCCC1 ZINC001142923566 800174505 /nfs/dbraw/zinc/17/45/05/800174505.db2.gz DBEPXPMWERWGBA-CQSZACIVSA-N 2 2 283.416 0.699 20 0 CCADLP [NH3+]CC[NH2+]CCNS(=O)(=O)c1ccc(C2CC2)cc1 ZINC001238839363 806813059 /nfs/dbraw/zinc/81/30/59/806813059.db2.gz QERSQXIHPJFVEV-UHFFFAOYSA-N 2 2 283.397 0.391 20 0 CCADLP C[C@@H]1CC[C@H](C[NH2+]CCNC(=O)CCc2c[nH+]cn2C)O1 ZINC001149565127 800277198 /nfs/dbraw/zinc/27/71/98/800277198.db2.gz ZLZCUEGUPQXTBC-TZMCWYRMSA-N 2 2 294.399 0.626 20 0 CCADLP C[C@@H](O)CCC[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149571186 800277977 /nfs/dbraw/zinc/27/79/77/800277977.db2.gz SJQBXUIPFYRYHE-GFCCVEGCSA-N 2 2 282.388 0.220 20 0 CCADLP CC[N@@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150379428 800334543 /nfs/dbraw/zinc/33/45/43/800334543.db2.gz FKFLRADEFUKXLP-LBPRGKRZSA-N 2 2 266.345 0.179 20 0 CCADLP CC[N@H+]1CCCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001150379428 800334548 /nfs/dbraw/zinc/33/45/48/800334548.db2.gz FKFLRADEFUKXLP-LBPRGKRZSA-N 2 2 266.345 0.179 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CCF)CCCO1 ZINC001150619846 800353000 /nfs/dbraw/zinc/35/30/00/800353000.db2.gz FOZANSQXBGPOFH-CYBMUJFWSA-N 2 2 289.395 0.505 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CCF)CCCO1 ZINC001150619846 800353008 /nfs/dbraw/zinc/35/30/08/800353008.db2.gz FOZANSQXBGPOFH-CYBMUJFWSA-N 2 2 289.395 0.505 20 0 CCADLP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CCF)CCCO1 ZINC001150619846 800353017 /nfs/dbraw/zinc/35/30/17/800353017.db2.gz FOZANSQXBGPOFH-CYBMUJFWSA-N 2 2 289.395 0.505 20 0 CCADLP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CCF)CCCO1 ZINC001150619846 800353024 /nfs/dbraw/zinc/35/30/24/800353024.db2.gz FOZANSQXBGPOFH-CYBMUJFWSA-N 2 2 289.395 0.505 20 0 CCADLP CCCC[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001151815182 800461324 /nfs/dbraw/zinc/46/13/24/800461324.db2.gz QIQAQCRVKNFXTG-CQSZACIVSA-N 2 2 283.416 0.603 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NCC[NH2+]CCOC1CCC1 ZINC001153345500 800624123 /nfs/dbraw/zinc/62/41/23/800624123.db2.gz XMCMTJLTGJOKRG-UHFFFAOYSA-N 2 2 294.399 0.938 20 0 CCADLP CC[C@@H](C[NH2+]CCNC(=O)CCCn1cc[nH+]c1)OC ZINC001153344373 800624751 /nfs/dbraw/zinc/62/47/51/800624751.db2.gz AFMYECPBKWGAGD-ZDUSSCGKSA-N 2 2 282.388 0.794 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)Cn1cc[nH+]c1)c1cnccn1 ZINC001153495922 800635357 /nfs/dbraw/zinc/63/53/57/800635357.db2.gz QZSVBDITXCHNCF-NSHDSACASA-N 2 2 274.328 0.140 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CC[C@@H]1CCCCO1 ZINC001153495807 800635524 /nfs/dbraw/zinc/63/55/24/800635524.db2.gz OFDQNBOZRJAFRI-ZDUSSCGKSA-N 2 2 280.372 0.548 20 0 CCADLP CC1(C)CO[C@H](C[NH2+]CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001153495450 800635903 /nfs/dbraw/zinc/63/59/03/800635903.db2.gz JRKZKOPPMITBGX-LBPRGKRZSA-N 2 2 280.372 0.404 20 0 CCADLP CC[N@H+](C[C@@H](C)O)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001153760609 800660616 /nfs/dbraw/zinc/66/06/16/800660616.db2.gz RTZZNOBVZSPICG-VXGBXAGGSA-N 2 2 282.388 0.550 20 0 CCADLP CC[N@@H+](C[C@@H](C)O)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001153760609 800660622 /nfs/dbraw/zinc/66/06/22/800660622.db2.gz RTZZNOBVZSPICG-VXGBXAGGSA-N 2 2 282.388 0.550 20 0 CCADLP CC[N@H+](C[C@@H](C)O)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001153760609 800660627 /nfs/dbraw/zinc/66/06/27/800660627.db2.gz RTZZNOBVZSPICG-VXGBXAGGSA-N 2 2 282.388 0.550 20 0 CCADLP CC[N@@H+](C[C@@H](C)O)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001153760609 800660632 /nfs/dbraw/zinc/66/06/32/800660632.db2.gz RTZZNOBVZSPICG-VXGBXAGGSA-N 2 2 282.388 0.550 20 0 CCADLP CC[N@H+](CCCO)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001153760082 800661092 /nfs/dbraw/zinc/66/10/92/800661092.db2.gz BEIBJWFBVRZLLF-GFCCVEGCSA-N 2 2 282.388 0.551 20 0 CCADLP CC[N@@H+](CCCO)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001153760082 800661094 /nfs/dbraw/zinc/66/10/94/800661094.db2.gz BEIBJWFBVRZLLF-GFCCVEGCSA-N 2 2 282.388 0.551 20 0 CCADLP CC[N@H+](CCCO)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001153760082 800661095 /nfs/dbraw/zinc/66/10/95/800661095.db2.gz BEIBJWFBVRZLLF-GFCCVEGCSA-N 2 2 282.388 0.551 20 0 CCADLP CC[N@@H+](CCCO)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001153760082 800661096 /nfs/dbraw/zinc/66/10/96/800661096.db2.gz BEIBJWFBVRZLLF-GFCCVEGCSA-N 2 2 282.388 0.551 20 0 CCADLP Nc1ccc[nH+]c1N1CCN(c2ncc3c(n2)C[NH2+]C3)CC1 ZINC001154783684 800845634 /nfs/dbraw/zinc/84/56/34/800845634.db2.gz YUMDRKAUSBZZFY-UHFFFAOYSA-N 2 2 297.366 0.384 20 0 CCADLP Cc1nc(N(C)C)nc(NC[C@H]2C[NH2+][C@H](C)C2)[nH+]1 ZINC001155102310 800910896 /nfs/dbraw/zinc/91/08/96/800910896.db2.gz YPZKBHODCPAWRR-PSASIEDQSA-N 2 2 250.350 0.656 20 0 CCADLP C[C@@H]1C[C@@H](CNc2ccc(N3CC[NH2+]CC3)c[nH+]2)C[NH2+]1 ZINC001155101513 800911076 /nfs/dbraw/zinc/91/10/76/800911076.db2.gz CXMDKWFWZPNYDI-CHWSQXEVSA-N 3 2 275.400 0.901 20 0 CCADLP Cc1nc(N(C)C)nc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)[nH+]1 ZINC001155624542 801024000 /nfs/dbraw/zinc/02/40/00/801024000.db2.gz WGEZZWOYTREJPA-RISCZKNCSA-N 2 2 292.387 0.569 20 0 CCADLP COCCCC[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157264814 801334456 /nfs/dbraw/zinc/33/44/56/801334456.db2.gz MBDLMMLWDJMPGT-UHFFFAOYSA-N 2 2 282.388 0.865 20 0 CCADLP Cn1cc[nH+]c1CCNC(=O)[C@@H]1C[C@@H](F)CC[NH2+]1 ZINC001157421185 801376629 /nfs/dbraw/zinc/37/66/29/801376629.db2.gz FJUSJOGFMYTVHZ-UWVGGRQHSA-N 2 2 254.309 0.169 20 0 CCADLP C[C@H]1CN(C(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)CCCO1 ZINC001157703974 801460024 /nfs/dbraw/zinc/46/00/24/801460024.db2.gz UENPHXJMHMDJJD-SMDDNHRTSA-N 2 2 277.368 0.896 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@@H](O)[C@H](F)C2)cc1 ZINC001157856973 801504651 /nfs/dbraw/zinc/50/46/51/801504651.db2.gz YJNQAYSYEBEFGE-FRRDWIJNSA-N 2 2 281.331 0.190 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CC[C@@](CF)(C(F)(F)F)C2)C1 ZINC001157891139 801510182 /nfs/dbraw/zinc/51/01/82/801510182.db2.gz UYDHTYNZUHXOHC-WEDXCCLWSA-N 2 2 283.269 0.426 20 0 CCADLP Cc1noc2ncnc(NC(=[NH2+])N3CC[NH+](C)CC3)c12 ZINC001157915973 801521195 /nfs/dbraw/zinc/52/11/95/801521195.db2.gz IVNIUDCGMAPCHC-UHFFFAOYSA-N 2 2 275.316 0.520 20 0 CCADLP CC1(C)CN(C(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)[C@@](C)(CO)C1 ZINC001157923469 801521859 /nfs/dbraw/zinc/52/18/59/801521859.db2.gz DMUJYAVYXXZWHY-SMDDNHRTSA-N 2 2 280.372 0.289 20 0 CCADLP O=C([C@@H]1C[NH2+]CCC1=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157970579 801543108 /nfs/dbraw/zinc/54/31/08/801543108.db2.gz RJRJROXVDKINME-KGLIPLIRSA-N 2 2 287.363 0.338 20 0 CCADLP O=C([C@@H]1[NH2+]CCS1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC001157971289 801543159 /nfs/dbraw/zinc/54/31/59/801543159.db2.gz XDTXQDDGHQDVKX-QWHCGFSZSA-N 2 2 277.393 0.822 20 0 CCADLP Cc1nc(CC[NH3+])nn1-c1cc(-n2cc[nH+]c2)ccn1 ZINC001158131886 801576255 /nfs/dbraw/zinc/57/62/55/801576255.db2.gz CERFAYYYSPZENG-UHFFFAOYSA-N 2 2 269.312 0.658 20 0 CCADLP [NH3+]C1(C(=O)N2C[C@H]3[C@H](CC3(F)F)C2)CC[NH2+]CC1 ZINC001158194098 801588106 /nfs/dbraw/zinc/58/81/06/801588106.db2.gz VNERXPSKLJAWNX-BDAKNGLRSA-N 2 2 259.300 0.181 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nccc2ncccc21 ZINC001158203488 801591123 /nfs/dbraw/zinc/59/11/23/801591123.db2.gz AKHNWJBFVNCEOM-SNVBAGLBSA-N 2 2 269.308 0.678 20 0 CCADLP Cc1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc(C(C)C)n1 ZINC001158206481 801593800 /nfs/dbraw/zinc/59/38/00/801593800.db2.gz QXFJZDYOHCFQQD-LLVKDONJSA-N 2 2 275.356 0.956 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nc(C2CC2)nc2[nH]ccc21 ZINC001158209189 801596374 /nfs/dbraw/zinc/59/63/74/801596374.db2.gz KEUMUSRDVAGFEW-SNVBAGLBSA-N 2 2 298.350 0.883 20 0 CCADLP CCOc1cncc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158258200 801607193 /nfs/dbraw/zinc/60/71/93/801607193.db2.gz SRPXFKBLCBETRX-LBPRGKRZSA-N 2 2 291.399 0.877 20 0 CCADLP CCOc1cncc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158258200 801607195 /nfs/dbraw/zinc/60/71/95/801607195.db2.gz SRPXFKBLCBETRX-LBPRGKRZSA-N 2 2 291.399 0.877 20 0 CCADLP Cc1nc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)ncc1F ZINC001158260960 801609026 /nfs/dbraw/zinc/60/90/26/801609026.db2.gz ISCUXCLCCVDJLH-NSHDSACASA-N 2 2 279.363 0.926 20 0 CCADLP Cc1nc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)ncc1F ZINC001158260960 801609028 /nfs/dbraw/zinc/60/90/28/801609028.db2.gz ISCUXCLCCVDJLH-NSHDSACASA-N 2 2 279.363 0.926 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3cc4c(nn3)CCC4)CC2)C1 ZINC001158269287 801610394 /nfs/dbraw/zinc/61/03/94/801610394.db2.gz PXPVKIGGEBHQBF-CYBMUJFWSA-N 2 2 287.411 0.967 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](C2CCN(c3cc4c(nn3)CCC4)CC2)C1 ZINC001158269287 801610395 /nfs/dbraw/zinc/61/03/95/801610395.db2.gz PXPVKIGGEBHQBF-CYBMUJFWSA-N 2 2 287.411 0.967 20 0 CCADLP [NH3+][C@H]1CC[N@@H+](C2CCN(c3ccc(F)nn3)CC2)C1 ZINC001158262783 801610760 /nfs/dbraw/zinc/61/07/60/801610760.db2.gz VRFJKANBXDJZRT-JTQLQIEISA-N 2 2 265.336 0.618 20 0 CCADLP [NH3+][C@H]1CC[N@H+](C2CCN(c3ccc(F)nn3)CC2)C1 ZINC001158262783 801610767 /nfs/dbraw/zinc/61/07/67/801610767.db2.gz VRFJKANBXDJZRT-JTQLQIEISA-N 2 2 265.336 0.618 20 0 CCADLP C[C@]1(C(=O)N2CCC[C@@H]3[NH2+]C[C@H]32)CC(F)(F)C[NH2+]1 ZINC001158423811 801643002 /nfs/dbraw/zinc/64/30/02/801643002.db2.gz PKMCQOIDMONZCO-IQJOONFLSA-N 2 2 259.300 0.337 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCO ZINC001158794023 801706022 /nfs/dbraw/zinc/70/60/22/801706022.db2.gz DNIOMYHFGXBKPX-CYBMUJFWSA-N 2 2 294.399 0.566 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCO ZINC001158794023 801706028 /nfs/dbraw/zinc/70/60/28/801706028.db2.gz DNIOMYHFGXBKPX-CYBMUJFWSA-N 2 2 294.399 0.566 20 0 CCADLP CN(CC[NH3+])CCNc1cc(N2CCCCC2)[nH+]cn1 ZINC001159437223 801804691 /nfs/dbraw/zinc/80/46/91/801804691.db2.gz FWBPRPGKIIMJSN-UHFFFAOYSA-N 2 2 278.404 0.769 20 0 CCADLP COCCC[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159537048 801831854 /nfs/dbraw/zinc/83/18/54/801831854.db2.gz HLMOLCXHLQKOOV-UHFFFAOYSA-N 2 2 268.361 0.475 20 0 CCADLP COCCC[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159537048 801831860 /nfs/dbraw/zinc/83/18/60/801831860.db2.gz HLMOLCXHLQKOOV-UHFFFAOYSA-N 2 2 268.361 0.475 20 0 CCADLP [NH3+]C1CCN(c2cccc(N[C@H]3C[NH2+]C[C@@H]3CO)[nH+]2)CC1 ZINC001159680486 801850366 /nfs/dbraw/zinc/85/03/66/801850366.db2.gz JCVBVYCQLSBIKD-YPMHNXCESA-N 3 2 291.399 0.001 20 0 CCADLP CC[C@]([NH3+])(CO)Nc1cc(N2CCSCC2)[nH+]cn1 ZINC001159748764 801862796 /nfs/dbraw/zinc/86/27/96/801862796.db2.gz SKIJURCPRRVALS-GFCCVEGCSA-N 2 2 283.401 0.499 20 0 CCADLP CC[NH+](CC)C1CCN(C(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)CC1 ZINC001160482747 801949462 /nfs/dbraw/zinc/94/94/62/801949462.db2.gz KRNOJJDZUKYNHZ-CZUORRHYSA-N 3 2 294.443 0.271 20 0 CCADLP O=C(N1CC(Oc2ccccc2)C1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160500961 801952086 /nfs/dbraw/zinc/95/20/86/801952086.db2.gz YLFVIGZLCMNDHL-MLGOLLRUSA-N 2 2 287.363 0.228 20 0 CCADLP C[N@@H+]1CCCn2nc(C(=O)N3CCC([NH3+])CC3)cc2C1 ZINC001160523686 801960529 /nfs/dbraw/zinc/96/05/29/801960529.db2.gz DQKNKIMTORHQIX-UHFFFAOYSA-N 2 2 277.372 0.282 20 0 CCADLP C[N@H+]1CCCn2nc(C(=O)N3CCC([NH3+])CC3)cc2C1 ZINC001160523686 801960536 /nfs/dbraw/zinc/96/05/36/801960536.db2.gz DQKNKIMTORHQIX-UHFFFAOYSA-N 2 2 277.372 0.282 20 0 CCADLP O=C(N1[C@@H]2CCC[C@H]1CC(=O)C2)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160631596 801983159 /nfs/dbraw/zinc/98/31/59/801983159.db2.gz OURQVOGJTVWJLW-FJJYHAOUSA-N 2 2 277.368 0.051 20 0 CCADLP CN(C[C@@H]1CC1(C)C)C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001160711000 802008296 /nfs/dbraw/zinc/00/82/96/802008296.db2.gz QOMHEBSLNRPHQD-JQWIXIFHSA-N 2 2 264.373 0.794 20 0 CCADLP O=C([C@H]1CC[NH2+]C[C@@H]1F)N1CCc2[nH+]ccn2CC1 ZINC001160760439 802017412 /nfs/dbraw/zinc/01/74/12/802017412.db2.gz MDGUBTABFIDEFQ-QWRGUYRKSA-N 2 2 266.320 0.215 20 0 CCADLP CC(C)[N@H+](C)[C@H]1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C1 ZINC001161051695 802077378 /nfs/dbraw/zinc/07/73/78/802077378.db2.gz YJCJLYHQYROCHB-JSGCOSHPSA-N 3 2 293.415 0.231 20 0 CCADLP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)C1 ZINC001161051695 802077381 /nfs/dbraw/zinc/07/73/81/802077381.db2.gz YJCJLYHQYROCHB-JSGCOSHPSA-N 3 2 293.415 0.231 20 0 CCADLP CC(C)[N@H+](C)[C@H]1CCN(C(=O)C2([NH3+])CC[NH2+]CC2)C1 ZINC001161050484 802078568 /nfs/dbraw/zinc/07/85/68/802078568.db2.gz NPESHQOMQBSZEO-LBPRGKRZSA-N 3 2 268.405 0.008 20 0 CCADLP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)C2([NH3+])CC[NH2+]CC2)C1 ZINC001161050484 802078574 /nfs/dbraw/zinc/07/85/74/802078574.db2.gz NPESHQOMQBSZEO-LBPRGKRZSA-N 3 2 268.405 0.008 20 0 CCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cnc(C[NH3+])s3)C[C@H]21 ZINC001161084971 802086583 /nfs/dbraw/zinc/08/65/83/802086583.db2.gz LNJDSWSEOZJVMM-NXEZZACHSA-N 2 2 280.397 0.768 20 0 CCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)c3cnc(C[NH3+])s3)C[C@H]21 ZINC001161084971 802086592 /nfs/dbraw/zinc/08/65/92/802086592.db2.gz LNJDSWSEOZJVMM-NXEZZACHSA-N 2 2 280.397 0.768 20 0 CCADLP FC(F)(F)[C@H]1C[N@@H+]([C@H]2CCC[NH2+]CC2)CCN1 ZINC001246990343 807448380 /nfs/dbraw/zinc/44/83/80/807448380.db2.gz NICMVKUWVMCMOT-VHSXEESVSA-N 2 2 251.296 0.965 20 0 CCADLP FC(F)(F)[C@H]1C[N@H+]([C@H]2CCC[NH2+]CC2)CCN1 ZINC001246990343 807448385 /nfs/dbraw/zinc/44/83/85/807448385.db2.gz NICMVKUWVMCMOT-VHSXEESVSA-N 2 2 251.296 0.965 20 0 CCADLP CN(C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)[C@H]1CCC2(C1)OCCO2 ZINC001161219029 802110896 /nfs/dbraw/zinc/11/08/96/802110896.db2.gz MKQPSSCRTIMWOI-RYUDHWBXSA-N 2 2 294.355 0.034 20 0 CCADLP COc1cc(N2CCN(C(=O)[C@@H](C)[NH3+])CC2)cc[nH+]1 ZINC001161306478 802121706 /nfs/dbraw/zinc/12/17/06/802121706.db2.gz NEWSEZPBIIQHBY-SNVBAGLBSA-N 2 2 264.329 0.086 20 0 CCADLP CO[C@@H](C)C[NH2+]CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001161315036 802124226 /nfs/dbraw/zinc/12/42/26/802124226.db2.gz MUGYBQUMGDHHCR-STQMWFEESA-N 2 2 294.399 0.576 20 0 CCADLP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)NCCC[NH2+]CCCO)C2 ZINC001161323161 802124917 /nfs/dbraw/zinc/12/49/17/802124917.db2.gz DNABUZXEBOSSKE-LBPRGKRZSA-N 2 2 294.399 0.301 20 0 CCADLP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)NCCC[NH2+]CCCO)CC2 ZINC001161323161 802124923 /nfs/dbraw/zinc/12/49/23/802124923.db2.gz DNABUZXEBOSSKE-LBPRGKRZSA-N 2 2 294.399 0.301 20 0 CCADLP c1ccc(N2CC(Nc3ncc4c(n3)CC[NH2+]C4)C2)[nH+]c1 ZINC001161319495 802125284 /nfs/dbraw/zinc/12/52/84/802125284.db2.gz URTZKVCHYRDLQA-UHFFFAOYSA-N 2 2 282.351 0.818 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)[C@@H](c2ccccc2)CO1 ZINC001161373784 802140067 /nfs/dbraw/zinc/14/00/67/802140067.db2.gz SGQGNNHQYQIEIT-PMOUVXMZSA-N 2 2 289.379 0.664 20 0 CCADLP [NH3+]C1(C(=O)N2CC[C@@H]([NH+]3CCCC3)C(F)(F)C2)CC1 ZINC001161470388 802159360 /nfs/dbraw/zinc/15/93/60/802159360.db2.gz FKHCCWQBTMGWHR-SNVBAGLBSA-N 2 2 273.327 0.810 20 0 CCADLP CCOC(=O)[C@H]([NH3+])CNc1nc(Cl)nc2c1CC[NH2+]C2 ZINC001161945184 802252622 /nfs/dbraw/zinc/25/26/22/802252622.db2.gz GEDXAJYHYRAQMO-MRVPVSSYSA-N 2 2 299.762 0.078 20 0 CCADLP CS(=O)(=O)N(CC[NH3+])c1ccc(Cn2cc[nH+]c2)cn1 ZINC001162124117 802278362 /nfs/dbraw/zinc/27/83/62/802278362.db2.gz NRKUUSAQIMFSLQ-UHFFFAOYSA-N 2 2 295.368 0.051 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+]([C@H]2CCC[NH+](C)CC2)CCC1=O ZINC001254524391 808254067 /nfs/dbraw/zinc/25/40/67/808254067.db2.gz BNQFTPVGFOXHHB-HNNXBMFYSA-N 3 2 296.459 0.567 20 0 CCADLP C[NH+](C)CCN1CC[N@H+]([C@H]2CCC[NH+](C)CC2)CCC1=O ZINC001254524391 808254072 /nfs/dbraw/zinc/25/40/72/808254072.db2.gz BNQFTPVGFOXHHB-HNNXBMFYSA-N 3 2 296.459 0.567 20 0 CCADLP C[NH+](C)CCN1CC[NH+]([C@H]2CCC[N@H+](C)CC2)CCC1=O ZINC001254524391 808254074 /nfs/dbraw/zinc/25/40/74/808254074.db2.gz BNQFTPVGFOXHHB-HNNXBMFYSA-N 3 2 296.459 0.567 20 0 CCADLP C[NH+](C)CCN1CC[NH+]([C@H]2CCC[N@@H+](C)CC2)CCC1=O ZINC001254524391 808254081 /nfs/dbraw/zinc/25/40/81/808254081.db2.gz BNQFTPVGFOXHHB-HNNXBMFYSA-N 3 2 296.459 0.567 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1cc(C2C[NH2+]C2)ncn1 ZINC001162855443 802430039 /nfs/dbraw/zinc/43/00/39/802430039.db2.gz CFLBGNUPZRAYPD-JTQLQIEISA-N 2 2 293.371 0.244 20 0 CCADLP COCCOc1cc(N[C@@H]2COCCC23C[NH2+]C3)cc[nH+]1 ZINC001163078961 802476100 /nfs/dbraw/zinc/47/61/00/802476100.db2.gz IBOXIHKHHMHNHK-CYBMUJFWSA-N 2 2 293.367 0.897 20 0 CCADLP Nc1[nH+]ccc(F)c1NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001163089021 802478828 /nfs/dbraw/zinc/47/88/28/802478828.db2.gz JKYYMVTYIMSVSJ-SECBINFHSA-N 2 2 266.320 0.983 20 0 CCADLP Cc1conc1C[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163594036 802573850 /nfs/dbraw/zinc/57/38/50/802573850.db2.gz RYDRZODDUYUBRN-UHFFFAOYSA-N 2 2 291.355 0.866 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCC[NH2+]CC[C@H]1CCCO1 ZINC001163593999 802575075 /nfs/dbraw/zinc/57/50/75/802575075.db2.gz QOFGZOXWQZWYBO-CQSZACIVSA-N 2 2 294.399 0.938 20 0 CCADLP CCOCCC[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163599154 802575859 /nfs/dbraw/zinc/57/58/59/802575859.db2.gz KYPWUAMCLJGQGU-UHFFFAOYSA-N 2 2 282.388 0.796 20 0 CCADLP C[NH+](C)C1(CNc2c[n+]([O-])ccn2)CC[NH+](C)CC1 ZINC001164207480 802688280 /nfs/dbraw/zinc/68/82/80/802688280.db2.gz XSOQAOJCMDGELK-UHFFFAOYSA-N 2 2 265.361 0.153 20 0 CCADLP C[NH+](C)C1(CNc2ccc[n+]([O-])c2)CC[NH+](C)CC1 ZINC001164211750 802688760 /nfs/dbraw/zinc/68/87/60/802688760.db2.gz RPNYVQCSGHWJFI-UHFFFAOYSA-N 2 2 264.373 0.758 20 0 CCADLP O[C@H]1CCN(c2ccc(N3CC[NH2+]CC3)c[nH+]2)CC[C@H]1F ZINC001164236460 802692999 /nfs/dbraw/zinc/69/29/99/802692999.db2.gz ASUCGFLLGPTWFW-KGLIPLIRSA-N 2 2 294.374 0.790 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Nc2ccc([C@H]3CCC[NH2+]3)cn2)C[NH2+]1 ZINC001164302334 802714784 /nfs/dbraw/zinc/71/47/84/802714784.db2.gz RBSACCUVGVJDJG-XQQFMLRXSA-N 2 2 290.367 0.822 20 0 CCADLP COCc1cc[nH+]c(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)c1 ZINC001165283926 802813295 /nfs/dbraw/zinc/81/32/95/802813295.db2.gz PRJODIAUSDABAJ-OCCSQVGLSA-N 2 2 263.341 0.246 20 0 CCADLP Cc1[nH+]c2c(n1-c1nccc3c1C(=O)NC3)CC[NH2+]CC2 ZINC001165352800 802826245 /nfs/dbraw/zinc/82/62/45/802826245.db2.gz FUILPYWMRAONTL-UHFFFAOYSA-N 2 2 283.335 0.507 20 0 CCADLP CCc1nc(N2CCC([NH3+])(C(=O)OC)CC2)cc(C)[nH+]1 ZINC001166796887 802962994 /nfs/dbraw/zinc/96/29/94/802962994.db2.gz GBWNIRMMQRNTFQ-UHFFFAOYSA-N 2 2 278.356 0.818 20 0 CCADLP C[NH+](C)CCN1C[C@@H]2CC[N@H+](Cc3cncc(O)c3)[C@@H]2C1 ZINC001276411760 803030017 /nfs/dbraw/zinc/03/00/17/803030017.db2.gz MQGPPSPBDKNZND-GOEBONIOSA-N 2 2 290.411 0.855 20 0 CCADLP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3cncc(O)c3)[C@@H]2C1 ZINC001276411760 803030025 /nfs/dbraw/zinc/03/00/25/803030025.db2.gz MQGPPSPBDKNZND-GOEBONIOSA-N 2 2 290.411 0.855 20 0 CCADLP CC(=O)Nc1nc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)cs1 ZINC001205241181 803129979 /nfs/dbraw/zinc/12/99/79/803129979.db2.gz RHRZXAKLJORUTQ-CYBMUJFWSA-N 2 2 298.412 0.777 20 0 CCADLP CC(=O)Nc1nc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)cs1 ZINC001205241181 803129983 /nfs/dbraw/zinc/12/99/83/803129983.db2.gz RHRZXAKLJORUTQ-CYBMUJFWSA-N 2 2 298.412 0.777 20 0 CCADLP CCOc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)ccc1OC ZINC001205945707 803189304 /nfs/dbraw/zinc/18/93/04/803189304.db2.gz CDRULSKLAUVGGP-CHWSQXEVSA-N 2 2 280.368 0.988 20 0 CCADLP CCOc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)ccc1OC ZINC001205945707 803189309 /nfs/dbraw/zinc/18/93/09/803189309.db2.gz CDRULSKLAUVGGP-CHWSQXEVSA-N 2 2 280.368 0.988 20 0 CCADLP [NH3+][C@H]1CC[N@H+](CC2C(=O)N=CNC2=O)CC[C@H]1F ZINC001206176336 803212498 /nfs/dbraw/zinc/21/24/98/803212498.db2.gz ZFVWJMDBZNPYCI-BDAKNGLRSA-N 2 2 256.281 0.149 20 0 CCADLP [NH3+][C@H]1CC[N@@H+](CC2C(=O)N=CNC2=O)CC[C@H]1F ZINC001206176336 803212501 /nfs/dbraw/zinc/21/25/01/803212501.db2.gz ZFVWJMDBZNPYCI-BDAKNGLRSA-N 2 2 256.281 0.149 20 0 CCADLP COc1cnccc1C[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001206480424 803250763 /nfs/dbraw/zinc/25/07/63/803250763.db2.gz WSZXGNPZDOUEJC-UHFFFAOYSA-N 2 2 278.400 0.769 20 0 CCADLP COc1cnccc1C[N@@H+](C)CCN1CC[NH+](C)CC1 ZINC001206480424 803250770 /nfs/dbraw/zinc/25/07/70/803250770.db2.gz WSZXGNPZDOUEJC-UHFFFAOYSA-N 2 2 278.400 0.769 20 0 CCADLP COc1cc(O)cc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206481717 803252289 /nfs/dbraw/zinc/25/22/89/803252289.db2.gz ZOMUJGKSBVSHAM-GXFFZTMASA-N 2 2 252.314 0.152 20 0 CCADLP COc1cc(O)cc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206481717 803252291 /nfs/dbraw/zinc/25/22/91/803252291.db2.gz ZOMUJGKSBVSHAM-GXFFZTMASA-N 2 2 252.314 0.152 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](CCOC(=O)c2ccccc2)C[C@@H]1O ZINC001206512618 803257036 /nfs/dbraw/zinc/25/70/36/803257036.db2.gz RGZZWUHMNFRLBL-STQMWFEESA-N 2 2 264.325 0.095 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CCOC(=O)c2ccccc2)C[C@@H]1O ZINC001206512618 803257038 /nfs/dbraw/zinc/25/70/38/803257038.db2.gz RGZZWUHMNFRLBL-STQMWFEESA-N 2 2 264.325 0.095 20 0 CCADLP COC[C@H](C)[NH2+]CC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001206688242 803278935 /nfs/dbraw/zinc/27/89/35/803278935.db2.gz NCQYZILWZDAMQY-LBPRGKRZSA-N 2 2 294.399 0.815 20 0 CCADLP C[NH+](C)CCN1CCC12C[NH+](C[C@H]1CCC[N@H+](C)C1)C2 ZINC001276497921 803292289 /nfs/dbraw/zinc/29/22/89/803292289.db2.gz PYQYFOXJJLTQCS-HNNXBMFYSA-N 3 2 280.460 0.650 20 0 CCADLP C[NH+](C)CCN1CCC12C[NH+](C[C@H]1CCC[N@@H+](C)C1)C2 ZINC001276497921 803292293 /nfs/dbraw/zinc/29/22/93/803292293.db2.gz PYQYFOXJJLTQCS-HNNXBMFYSA-N 3 2 280.460 0.650 20 0 CCADLP C[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001206919370 803309084 /nfs/dbraw/zinc/30/90/84/803309084.db2.gz QXJYXAHDVJLXEJ-VXGBXAGGSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001206919370 803309089 /nfs/dbraw/zinc/30/90/89/803309089.db2.gz QXJYXAHDVJLXEJ-VXGBXAGGSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@@H](O)C[NH2+]CC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001206970871 803319601 /nfs/dbraw/zinc/31/96/01/803319601.db2.gz MYUCROBRYIOPHS-GFCCVEGCSA-N 2 2 280.372 0.092 20 0 CCADLP CC[N@@H+]1CCO[C@@H]2C[NH+](CC(OC)OC)C[C@@H]2C1 ZINC001207253402 803373824 /nfs/dbraw/zinc/37/38/24/803373824.db2.gz HZHUTLZESAWMOP-NWDGAFQWSA-N 2 2 258.362 0.258 20 0 CCADLP CC[N@H+]1CCO[C@@H]2C[NH+](CC(OC)OC)C[C@@H]2C1 ZINC001207253402 803373829 /nfs/dbraw/zinc/37/38/29/803373829.db2.gz HZHUTLZESAWMOP-NWDGAFQWSA-N 2 2 258.362 0.258 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@H+](CC(OC)OC)C[C@@H]2C1 ZINC001207253402 803373833 /nfs/dbraw/zinc/37/38/33/803373833.db2.gz HZHUTLZESAWMOP-NWDGAFQWSA-N 2 2 258.362 0.258 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@@H+](CC(OC)OC)C[C@@H]2C1 ZINC001207253402 803373836 /nfs/dbraw/zinc/37/38/36/803373836.db2.gz HZHUTLZESAWMOP-NWDGAFQWSA-N 2 2 258.362 0.258 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@@H]([NH2+]CCCO)C1 ZINC001208365638 803509892 /nfs/dbraw/zinc/50/98/92/803509892.db2.gz QUCQRDOYCRKYQW-JHJVBQTASA-N 2 2 292.383 0.476 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@@H]([NH2+]CCCO)C1 ZINC001208365638 803509893 /nfs/dbraw/zinc/50/98/93/803509893.db2.gz QUCQRDOYCRKYQW-JHJVBQTASA-N 2 2 292.383 0.476 20 0 CCADLP C[N@@H+]1CCC[C@H](C[NH+]2CCO[C@]3(CCOC3)C2)C1 ZINC001208608474 803528641 /nfs/dbraw/zinc/52/86/41/803528641.db2.gz TYLOXUINHCPWAG-UONOGXRCSA-N 2 2 254.374 0.820 20 0 CCADLP C[N@H+]1CCC[C@H](C[NH+]2CCO[C@]3(CCOC3)C2)C1 ZINC001208608474 803528646 /nfs/dbraw/zinc/52/86/46/803528646.db2.gz TYLOXUINHCPWAG-UONOGXRCSA-N 2 2 254.374 0.820 20 0 CCADLP C[NH+]1CCC[C@H](C[N@@H+]2CCO[C@]3(CCOC3)C2)C1 ZINC001208608474 803528649 /nfs/dbraw/zinc/52/86/49/803528649.db2.gz TYLOXUINHCPWAG-UONOGXRCSA-N 2 2 254.374 0.820 20 0 CCADLP C[NH+]1CCC[C@H](C[N@H+]2CCO[C@]3(CCOC3)C2)C1 ZINC001208608474 803528652 /nfs/dbraw/zinc/52/86/52/803528652.db2.gz TYLOXUINHCPWAG-UONOGXRCSA-N 2 2 254.374 0.820 20 0 CCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1ncccc1O ZINC001276594430 803550829 /nfs/dbraw/zinc/55/08/29/803550829.db2.gz WFIBIOBEXSUQKH-BETUJISGSA-N 2 2 276.384 0.607 20 0 CCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1ncccc1O ZINC001276594430 803550831 /nfs/dbraw/zinc/55/08/31/803550831.db2.gz WFIBIOBEXSUQKH-BETUJISGSA-N 2 2 276.384 0.607 20 0 CCADLP O=C(N[C@H](C[NH2+]CCF)C1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001276611614 803572082 /nfs/dbraw/zinc/57/20/82/803572082.db2.gz JUOBYMWFEDSPKH-TZMCWYRMSA-N 2 2 294.374 0.899 20 0 CCADLP Cc1nccc(C[NH+]2CC3(CN(CC[NH+](C)C)C3)C2)n1 ZINC001276629553 803587192 /nfs/dbraw/zinc/58/71/92/803587192.db2.gz HUFVVVJIBLETDF-UHFFFAOYSA-N 2 2 275.400 0.464 20 0 CCADLP CC(C)[N@H+](C)[C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC001209293661 803589701 /nfs/dbraw/zinc/58/97/01/803589701.db2.gz HUXCFXOUUNHDLR-CQSZACIVSA-N 2 2 255.406 0.733 20 0 CCADLP CC(C)[N@@H+](C)[C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC001209293661 803589704 /nfs/dbraw/zinc/58/97/04/803589704.db2.gz HUXCFXOUUNHDLR-CQSZACIVSA-N 2 2 255.406 0.733 20 0 CCADLP C[C@@H]1C[C@@H]1C[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001209422411 803603368 /nfs/dbraw/zinc/60/33/68/803603368.db2.gz YKRQUFQVMGJTDI-HUUCEWRRSA-N 2 2 267.417 0.592 20 0 CCADLP COC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001210666901 803656937 /nfs/dbraw/zinc/65/69/37/803656937.db2.gz AQZVURRMBYQMDH-QWHCGFSZSA-N 2 2 294.399 0.578 20 0 CCADLP CCOC(=O)C[NH+]1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001276703484 803697111 /nfs/dbraw/zinc/69/71/11/803697111.db2.gz JFFAGAHVMIRHKA-UHFFFAOYSA-N 2 2 292.383 0.871 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1[NH2+]CCCO ZINC001214894045 803763893 /nfs/dbraw/zinc/76/38/93/803763893.db2.gz DNDXJRYNUJKVKS-HKUMRIAESA-N 2 2 292.383 0.332 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1[NH2+]CCCO ZINC001214894045 803763897 /nfs/dbraw/zinc/76/38/97/803763897.db2.gz DNDXJRYNUJKVKS-HKUMRIAESA-N 2 2 292.383 0.332 20 0 CCADLP CC(C)(C[NH2+]CCCn1cc[nH+]c1)S(C)(=O)=O ZINC000093519793 814976785 /nfs/dbraw/zinc/97/67/85/814976785.db2.gz RUFRRTGZFBDHGE-UHFFFAOYSA-N 2 2 259.375 0.686 20 0 CCADLP O=C(C[C@@H]1COCC[NH2+]1)Nc1cccc2[nH+]ccn21 ZINC001218498971 803966054 /nfs/dbraw/zinc/96/60/54/803966054.db2.gz KDNHAFBSOJMICT-SNVBAGLBSA-N 2 2 260.297 0.651 20 0 CCADLP [NH3+]C1(C(=O)Nc2nccnc2C2CC2)CC[NH2+]CC1 ZINC001218535546 803991646 /nfs/dbraw/zinc/99/16/46/803991646.db2.gz JUORGVIQYWNKSN-UHFFFAOYSA-N 2 2 261.329 0.373 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1nccnc1C1CC1 ZINC001218535774 803992614 /nfs/dbraw/zinc/99/26/14/803992614.db2.gz SHKPJSWGMOQREI-SNVBAGLBSA-N 2 2 272.312 0.586 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ncnc2[nH]ccc21 ZINC001218558987 804005555 /nfs/dbraw/zinc/00/55/55/804005555.db2.gz JFSTZDHKEYRZEG-JTQLQIEISA-N 2 2 285.311 0.200 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1cc(C(F)(F)F)no1 ZINC001218559896 804005702 /nfs/dbraw/zinc/00/57/02/804005702.db2.gz MLNDRUVPADZTEG-UHFFFAOYSA-N 2 2 292.261 0.974 20 0 CCADLP Cn1ncc2cc(NC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)cnc21 ZINC001218614105 804033558 /nfs/dbraw/zinc/03/35/58/804033558.db2.gz CIXMJGZKJYZHNW-NSHDSACASA-N 2 2 285.311 0.200 20 0 CCADLP O=C(Nc1cc[nH+]c2c1CCC2)[C@H]1CC[NH2+]C[C@@H]1F ZINC001218620030 804037910 /nfs/dbraw/zinc/03/79/10/804037910.db2.gz HSSIQSFPSIFPES-ONGXEEELSA-N 2 2 263.316 0.878 20 0 CCADLP Cc1ncc(NC(=O)C[NH2+]C2CC[NH2+]CC2)nc1C ZINC001218624135 804040441 /nfs/dbraw/zinc/04/04/41/804040441.db2.gz HIARJCXBBWHVJM-UHFFFAOYSA-N 2 2 263.345 0.374 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cc(-c2ccccn2)no1 ZINC001218637395 804051744 /nfs/dbraw/zinc/05/17/44/804051744.db2.gz VPFKNFQAVMDDKY-SNVBAGLBSA-N 2 2 298.306 0.968 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1cc(Cl)c[nH]c1=O ZINC001218642587 804056513 /nfs/dbraw/zinc/05/65/13/804056513.db2.gz XSZWUDONWKQGJX-UHFFFAOYSA-N 2 2 284.747 0.721 20 0 CCADLP [NH3+]C1(C(=O)Nc2cnc3ccccc3n2)CC[NH2+]CC1 ZINC001218653717 804063984 /nfs/dbraw/zinc/06/39/84/804063984.db2.gz YWZBOJJBOUCYPG-UHFFFAOYSA-N 2 2 271.324 0.649 20 0 CCADLP CN(C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)c1nc(Cl)ccc1N ZINC001218682540 804078663 /nfs/dbraw/zinc/07/86/63/804078663.db2.gz LAYVHWLCOIUKOJ-VIFPVBQESA-N 2 2 294.746 0.573 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1cc(Cl)[nH]c(=O)c1 ZINC001218694162 804081051 /nfs/dbraw/zinc/08/10/51/804081051.db2.gz OMDBEUFODZFJSB-UHFFFAOYSA-N 2 2 284.747 0.721 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ncc(O)cc1Br ZINC001218700945 804087699 /nfs/dbraw/zinc/08/76/99/804087699.db2.gz PHSZYJWUKHHPJY-ZETCQYMHSA-N 2 2 289.133 0.164 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cnc(-c2ccc(O)cc2)nc1 ZINC001218702199 804088472 /nfs/dbraw/zinc/08/84/72/804088472.db2.gz NRFWYZJRKZPVSM-STQMWFEESA-N 2 2 299.334 0.334 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC001218821717 804133579 /nfs/dbraw/zinc/13/35/79/804133579.db2.gz FJCLINIYSZQQGU-ZDUSSCGKSA-N 2 2 297.322 0.499 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC001218821716 804133803 /nfs/dbraw/zinc/13/38/03/804133803.db2.gz FJCLINIYSZQQGU-CYBMUJFWSA-N 2 2 297.322 0.499 20 0 CCADLP Cc1ccc2c(c1NC(=O)C1([NH3+])CC[NH2+]CC1)CNC2=O ZINC001218820538 804133849 /nfs/dbraw/zinc/13/38/49/804133849.db2.gz VBEBKAABWQQYRD-UHFFFAOYSA-N 2 2 288.351 0.258 20 0 CCADLP Cn1ccc2cc(NC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)ccc21 ZINC001218863689 804140445 /nfs/dbraw/zinc/14/04/45/804140445.db2.gz ZVHZKFBZESJRND-PWSUYJOCSA-N 2 2 258.325 0.806 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccccc1C(=O)NC1CC1 ZINC001218886216 804148410 /nfs/dbraw/zinc/14/84/10/804148410.db2.gz SWKQVOIELQTAEZ-RYUDHWBXSA-N 2 2 288.351 0.064 20 0 CCADLP Cn1cc2cccc(NC(=O)[C@H]([NH3+])Cc3c[nH+]c[nH]3)c2n1 ZINC001218888843 804149394 /nfs/dbraw/zinc/14/93/94/804149394.db2.gz KMMYNWHBSQUWEL-LLVKDONJSA-N 2 2 284.323 0.805 20 0 CCADLP Cc1ccc(NC(=O)[C@H](N)C[NH+]2CCC([NH3+])CC2)cc1O ZINC001218898383 804151033 /nfs/dbraw/zinc/15/10/33/804151033.db2.gz WBWPNERKQISUBH-CYBMUJFWSA-N 2 2 292.383 0.390 20 0 CCADLP Cc1ccc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)cc1O ZINC001218897566 804151303 /nfs/dbraw/zinc/15/13/03/804151303.db2.gz MLAGZVREJRFJNJ-NSHDSACASA-N 2 2 260.297 0.932 20 0 CCADLP Cc1ccc(C(N)=O)cc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218914492 804155634 /nfs/dbraw/zinc/15/56/34/804155634.db2.gz XMHQILUHDVUSSR-NSHDSACASA-N 2 2 287.323 0.326 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccc2c(c1)CCO2 ZINC001218915537 804156492 /nfs/dbraw/zinc/15/64/92/804156492.db2.gz PRDUAWRGPKRZJM-ZDUSSCGKSA-N 2 2 286.335 0.864 20 0 CCADLP CC(=O)c1cc2c(cc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)OCO2 ZINC001218934102 804161163 /nfs/dbraw/zinc/16/11/63/804161163.db2.gz MAFOLFDWZAKSET-KCJUWKMLSA-N 2 2 291.307 0.246 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccc(-c3ccncn3)cc2)C1 ZINC001218976780 804171147 /nfs/dbraw/zinc/17/11/47/804171147.db2.gz CACYXYYDINFNQL-RISCZKNCSA-N 2 2 283.335 0.771 20 0 CCADLP CC(=O)Oc1ccc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)cc1 ZINC001219101563 804197845 /nfs/dbraw/zinc/19/78/45/804197845.db2.gz LDRBAFJYQDWREN-ZDUSSCGKSA-N 2 2 288.307 0.844 20 0 CCADLP CC(=O)Oc1ccc(NC(=O)C2([NH3+])CC[NH2+]CC2)cc1 ZINC001219102641 804198229 /nfs/dbraw/zinc/19/82/29/804198229.db2.gz YYYRLILJRFSPRK-UHFFFAOYSA-N 2 2 277.324 0.631 20 0 CCADLP Cc1ccc(CCCO)c(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c1 ZINC001219103697 804200878 /nfs/dbraw/zinc/20/08/78/804200878.db2.gz ORYQNGXUQQBSEP-OCCSQVGLSA-N 2 2 277.368 0.548 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1cccc2c1COC2 ZINC001219110140 804204801 /nfs/dbraw/zinc/20/48/01/804204801.db2.gz MNFPGZZYAKHURB-ZDUSSCGKSA-N 2 2 286.335 0.959 20 0 CCADLP COc1cc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc2cccnc21 ZINC001219201662 804233726 /nfs/dbraw/zinc/23/37/26/804233726.db2.gz HFLWRVMJBLABLI-RYUDHWBXSA-N 2 2 286.335 0.729 20 0 CCADLP Cc1cc(N)ccc1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001219317046 804267307 /nfs/dbraw/zinc/26/73/07/804267307.db2.gz KYSAJFWBTJXTOF-UHFFFAOYSA-N 2 2 262.357 0.857 20 0 CCADLP COc1c(O)cccc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001219516630 804335131 /nfs/dbraw/zinc/33/51/31/804335131.db2.gz ZUGRFBIGWKYJKC-VIFPVBQESA-N 2 2 276.296 0.632 20 0 CCADLP CCOC(=O)c1cc(N)cc(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c1 ZINC001219524459 804337546 /nfs/dbraw/zinc/33/75/46/804337546.db2.gz NRJPWLQMPGQQSH-PWSUYJOCSA-N 2 2 292.339 0.073 20 0 CCADLP Cc1cccnc1CCCNC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219571699 804354890 /nfs/dbraw/zinc/35/48/90/804354890.db2.gz MIFKGKIYWPERND-CZUORRHYSA-N 2 2 288.395 0.390 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C[NH2+]1 ZINC001219582747 804357881 /nfs/dbraw/zinc/35/78/81/804357881.db2.gz JJQFTJVTTMQUEE-SRVKXCTJSA-N 2 2 262.357 0.702 20 0 CCADLP Cn1ccc2cc(CNC(=O)C3([NH3+])CC[NH2+]CC3)ccc21 ZINC001219597739 804366951 /nfs/dbraw/zinc/36/69/51/804366951.db2.gz SUJKQUKBCSKJRE-UHFFFAOYSA-N 2 2 286.379 0.875 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000313211456 804383436 /nfs/dbraw/zinc/38/34/36/804383436.db2.gz JQXKDIOYPCGRCQ-ZYHUDNBSSA-N 2 2 250.346 0.467 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)C[C@H]2CCC[NH2+]C2)c1 ZINC000313215462 804384076 /nfs/dbraw/zinc/38/40/76/804384076.db2.gz QEKCRMDBBGBTQG-LLVKDONJSA-N 2 2 250.346 0.469 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H](CNC(=O)Cc2cc[nH+]c(N)c2)C1 ZINC001219650485 804392956 /nfs/dbraw/zinc/39/29/56/804392956.db2.gz ORNDRAIGCSBMPT-CMPLNLGQSA-N 2 2 262.357 0.568 20 0 CCADLP C[C@H](NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)c1nc2ccccc2[nH]1 ZINC001219700716 804408175 /nfs/dbraw/zinc/40/81/75/804408175.db2.gz BSNKDHUHSJDCNW-MMPTUQATSA-N 2 2 299.378 0.692 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)c1cnc2ccccn21 ZINC001219701282 804410039 /nfs/dbraw/zinc/41/00/39/804410039.db2.gz KDBBAXNKDOBXLR-MROQNXINSA-N 2 2 299.378 0.461 20 0 CCADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(C(=O)NCC[NH3+])cc1 ZINC001219876406 804438053 /nfs/dbraw/zinc/43/80/53/804438053.db2.gz NKWBUQHSVWIISL-UHFFFAOYSA-N 3 2 292.427 0.759 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(C(=O)NCC[NH3+])cc1 ZINC001219876406 804438059 /nfs/dbraw/zinc/43/80/59/804438059.db2.gz NKWBUQHSVWIISL-UHFFFAOYSA-N 3 2 292.427 0.759 20 0 CCADLP O=C(NCc1cc(F)c(F)c(F)c1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001219904501 804445145 /nfs/dbraw/zinc/44/51/45/804445145.db2.gz XGQRGTQUXCPXLR-OTYXRUKQSA-N 2 2 299.296 0.672 20 0 CCADLP Nc1ccccc1CNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001219925597 804450616 /nfs/dbraw/zinc/45/06/16/804450616.db2.gz PQCUGYANPVGAME-LBPRGKRZSA-N 2 2 259.313 0.178 20 0 CCADLP Cn1c(CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)cc2ccccc21 ZINC001219935000 804452103 /nfs/dbraw/zinc/45/21/03/804452103.db2.gz WYULVTPCOASGSG-AEGPPILISA-N 2 2 298.390 0.744 20 0 CCADLP O=C(NCCCc1ccncc1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219980757 804464967 /nfs/dbraw/zinc/46/49/67/804464967.db2.gz OTCQZSNNBGWSON-DZGCQCFKSA-N 2 2 274.368 0.082 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)NCc1[nH]nc2ccccc21 ZINC001220045082 804482333 /nfs/dbraw/zinc/48/23/33/804482333.db2.gz LLIAXPDHHJMPAY-UHFFFAOYSA-N 2 2 287.367 0.521 20 0 CCADLP [NH3+]C1(C(=O)NCc2n[nH]c3ccccc23)CC[NH2+]CC1 ZINC001220046980 804484338 /nfs/dbraw/zinc/48/43/38/804484338.db2.gz MKUVCBWDZGZLKK-UHFFFAOYSA-N 2 2 273.340 0.260 20 0 CCADLP C[C@H]1CC[NH2+][C@H](C(=O)NCC2([NH+]3CCCC3)COC2)C1 ZINC001220197852 804534266 /nfs/dbraw/zinc/53/42/66/804534266.db2.gz UGPHJSLZJVEDMC-STQMWFEESA-N 2 2 281.400 0.356 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC2([NH+]3CCCC3)COC2)C1 ZINC001220197849 804534613 /nfs/dbraw/zinc/53/46/13/804534613.db2.gz UGPHJSLZJVEDMC-CHWSQXEVSA-N 2 2 281.400 0.356 20 0 CCADLP Cc1ccc(CNC(=O)C2([NH3+])CC[NH2+]CC2)c(F)c1F ZINC001220210076 804537510 /nfs/dbraw/zinc/53/75/10/804537510.db2.gz PPBFIDXZQJYXKR-UHFFFAOYSA-N 2 2 283.322 0.970 20 0 CCADLP CCOC(CCNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)OCC ZINC001220230208 804545415 /nfs/dbraw/zinc/54/54/15/804545415.db2.gz DULSTXMBXIQWTO-GYSYKLTISA-N 2 2 285.388 0.114 20 0 CCADLP C[C@@H](CCCC(C)(C)O)NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220242598 804546399 /nfs/dbraw/zinc/54/63/99/804546399.db2.gz FKPMQAQYIXAJBP-YFCNSXCBSA-N 2 2 283.416 0.654 20 0 CCADLP [NH3+]Cc1cccc(C(=O)N[C@@H](CO)Cc2c[nH]c[nH+]2)c1 ZINC001220291087 804562814 /nfs/dbraw/zinc/56/28/14/804562814.db2.gz LKDHIQZBVFTSIT-CYBMUJFWSA-N 2 2 274.324 0.202 20 0 CCADLP [NH3+]Cc1cccc(C(=O)N[C@@H](CO)Cc2c[nH+]c[nH]2)c1 ZINC001220291087 804562817 /nfs/dbraw/zinc/56/28/17/804562817.db2.gz LKDHIQZBVFTSIT-CYBMUJFWSA-N 2 2 274.324 0.202 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCCC(F)(F)C1 ZINC001220308108 804568633 /nfs/dbraw/zinc/56/86/33/804568633.db2.gz COAZLMWKFKJFKV-WCBMZHEXSA-N 2 2 272.299 0.974 20 0 CCADLP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCF)C[C@@H]1O)CC(C)(C)C ZINC001220367224 804581343 /nfs/dbraw/zinc/58/13/43/804581343.db2.gz OYILFHDTZKKHTC-NEPJUHHUSA-N 2 2 289.395 0.095 20 0 CCADLP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCF)C[C@@H]1O)CC(C)(C)C ZINC001220367224 804581347 /nfs/dbraw/zinc/58/13/47/804581347.db2.gz OYILFHDTZKKHTC-NEPJUHHUSA-N 2 2 289.395 0.095 20 0 CCADLP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCF)C[C@@H]1O)CC(C)(C)C ZINC001220367224 804581351 /nfs/dbraw/zinc/58/13/51/804581351.db2.gz OYILFHDTZKKHTC-NEPJUHHUSA-N 2 2 289.395 0.095 20 0 CCADLP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCF)C[C@@H]1O)CC(C)(C)C ZINC001220367224 804581355 /nfs/dbraw/zinc/58/13/55/804581355.db2.gz OYILFHDTZKKHTC-NEPJUHHUSA-N 2 2 289.395 0.095 20 0 CCADLP Cc1cccc(C)c1CNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220351232 804582456 /nfs/dbraw/zinc/58/24/56/804582456.db2.gz WSSFZSXRHDJANL-CJNGLKHVSA-N 2 2 273.380 0.871 20 0 CCADLP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2C(=O)[C@@H]([NH3+])CC[NH3+] ZINC001220384646 804591010 /nfs/dbraw/zinc/59/10/10/804591010.db2.gz ZPCGPICOXRBQCK-OLZOCXBDSA-N 3 2 276.384 0.798 20 0 CCADLP CSc1ccc(OCCNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc1 ZINC001220423078 804600518 /nfs/dbraw/zinc/60/05/18/804600518.db2.gz ZWRXUAQAXJKQGL-STQMWFEESA-N 2 2 295.408 0.450 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC001220501657 804617123 /nfs/dbraw/zinc/61/71/23/804617123.db2.gz SKXSYCQPZRXFKY-QWHCGFSZSA-N 3 2 273.340 0.096 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2ccc3ocnc3c2)C1 ZINC001220678742 804647615 /nfs/dbraw/zinc/64/76/15/804647615.db2.gz KHUXYAUJKDDUMZ-KOLCDFICSA-N 2 2 260.297 0.133 20 0 CCADLP COC(CCCNC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)OC ZINC001220743749 804659438 /nfs/dbraw/zinc/65/94/38/804659438.db2.gz OPNFHOQRSJKTSJ-CYBMUJFWSA-N 2 2 295.383 0.774 20 0 CCADLP COC1CCC(CCNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)CC1 ZINC001220755007 804660767 /nfs/dbraw/zinc/66/07/67/804660767.db2.gz YDYQHXDMFIRCIT-UBHUBRDASA-N 2 2 294.399 0.991 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])CC(C)(C)CC[NH3+] ZINC001220766759 804663203 /nfs/dbraw/zinc/66/32/03/804663203.db2.gz WXDPUNOWTAJAKF-WOPDTQHZSA-N 3 2 270.421 0.051 20 0 CCADLP O=C(NCc1cc(F)cnc1Cl)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220811228 804671571 /nfs/dbraw/zinc/67/15/71/804671571.db2.gz ZHZWEYQGUVOILS-NOZJJQNGSA-N 2 2 298.749 0.442 20 0 CCADLP CC1(C)C[C@H](CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CCO1 ZINC001220953366 804705820 /nfs/dbraw/zinc/70/58/20/804705820.db2.gz OJLYMVRVNFQICY-BLTAXRJOSA-N 2 2 281.400 0.530 20 0 CCADLP [NH3+]C1(C(=O)N[C@H](c2ccnc(F)c2)C2CC2)CC[NH2+]CC1 ZINC001221053766 804725171 /nfs/dbraw/zinc/72/51/71/804725171.db2.gz KNUUINVNTSZBKC-ZDUSSCGKSA-N 2 2 292.358 0.869 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NC2(c3cnccn3)CC2)cc1 ZINC001221081972 804728953 /nfs/dbraw/zinc/72/89/53/804728953.db2.gz BBKAERGAFVXVAZ-ZDUSSCGKSA-N 2 2 297.362 0.854 20 0 CCADLP Cc1nccnc1CNC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001221103995 804731686 /nfs/dbraw/zinc/73/16/86/804731686.db2.gz UWGRMIGHUPHSBL-ZDUSSCGKSA-N 2 2 285.351 0.674 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCC1(CC2CCC2)CC[NH2+]CC1 ZINC001221130442 804733951 /nfs/dbraw/zinc/73/39/51/804733951.db2.gz RVGLGVXOKTWTHE-KBPBESRZSA-N 3 2 294.443 0.209 20 0 CCADLP CC(C)(C)[NH+]1CC(NC(=O)c2ccc([C@H](N)C[NH3+])cc2)C1 ZINC001221195709 804744212 /nfs/dbraw/zinc/74/42/12/804744212.db2.gz DKRXRQAMDPZPFX-CQSZACIVSA-N 2 2 290.411 0.858 20 0 CCADLP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)C1(F)C[NH2+]C1 ZINC001221398343 804804526 /nfs/dbraw/zinc/80/45/26/804804526.db2.gz YBPBNXCMMFANDA-LBPRGKRZSA-N 2 2 263.316 0.129 20 0 CCADLP CC(C)(C)[N@H+](C[C@@H](O)CO)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001222080458 804864138 /nfs/dbraw/zinc/86/41/38/804864138.db2.gz LUTUJMUTWFFJBI-MNOVXSKESA-N 2 2 260.378 0.165 20 0 CCADLP CC(C)(C)[N@@H+](C[C@@H](O)CO)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001222080458 804864145 /nfs/dbraw/zinc/86/41/45/804864145.db2.gz LUTUJMUTWFFJBI-MNOVXSKESA-N 2 2 260.378 0.165 20 0 CCADLP CC[C@H](C[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)OC ZINC001222099656 804868827 /nfs/dbraw/zinc/86/88/27/804868827.db2.gz ZQULJFKRWGGQAG-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP C([C@H]1CCCCO1)N1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001222492539 804906085 /nfs/dbraw/zinc/90/60/85/804906085.db2.gz ZQPGPNYLTRNSOR-RDBSUJKOSA-N 2 2 253.390 0.581 20 0 CCADLP C[NH+]1CCN(CCO[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001224550555 805052062 /nfs/dbraw/zinc/05/20/62/805052062.db2.gz WTJLWQLVUDBCHV-CYBMUJFWSA-N 2 2 264.373 0.462 20 0 CCADLP C[C@H](CC(=O)NCC1CC[NH+](CCO)CC1)n1cc[nH+]c1 ZINC001224692069 805070193 /nfs/dbraw/zinc/07/01/93/805070193.db2.gz MMHPZZNXFPLVFF-CYBMUJFWSA-N 2 2 294.399 0.655 20 0 CCADLP COCCCC[NH+]1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001229723530 805551978 /nfs/dbraw/zinc/55/19/78/805551978.db2.gz ROFYHCDSNKZHDY-UHFFFAOYSA-N 2 2 294.399 0.959 20 0 CCADLP C[NH+](C)C1CCC([NH2+]Cc2noc(C(N)=O)n2)CC1 ZINC001168298397 815082408 /nfs/dbraw/zinc/08/24/08/815082408.db2.gz RCTMTUJODYYTDQ-UHFFFAOYSA-N 2 2 267.333 0.131 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CC2CC2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC000989611789 815084189 /nfs/dbraw/zinc/08/41/89/815084189.db2.gz IUGCQPYLXJPEKP-PWSUYJOCSA-N 2 2 262.357 0.941 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@@H]1C[NH2+]C[C@@H](C)C1 ZINC001245994377 807109676 /nfs/dbraw/zinc/10/96/76/807109676.db2.gz RHETXMGLSANCOR-MELADBBJSA-N 3 2 257.422 0.524 20 0 CCADLP COc1cccc(OC[C@H](O)C[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC001246011352 807114188 /nfs/dbraw/zinc/11/41/88/807114188.db2.gz RJVKEFWGUPVASV-CHWSQXEVSA-N 2 2 280.368 0.777 20 0 CCADLP C[C@](O)(C[NH2+][C@@H]1CC12C[NH2+]C2)C(=O)OCc1ccccc1 ZINC001246011125 807114754 /nfs/dbraw/zinc/11/47/54/807114754.db2.gz RVIGUCLALIDRGA-HIFRSBDPSA-N 2 2 290.363 0.432 20 0 CCADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@@H+]1C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001246021694 807120697 /nfs/dbraw/zinc/12/06/97/807120697.db2.gz LNOYMYGMMDQPTG-MXASKKJJSA-N 3 2 291.439 0.977 20 0 CCADLP C[C@@H]1[C@@H](C[NH3+])CCC[N@H+]1C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001246021694 807120704 /nfs/dbraw/zinc/12/07/04/807120704.db2.gz LNOYMYGMMDQPTG-MXASKKJJSA-N 3 2 291.439 0.977 20 0 CCADLP C[C@@]1(C[NH3+])CCCC[N@H+](C[C@]2(O)CCC[NH2+]C2)C1 ZINC001246020163 807121109 /nfs/dbraw/zinc/12/11/09/807121109.db2.gz IGZXCCFTSHIQSM-KBPBESRZSA-N 3 2 255.406 0.552 20 0 CCADLP C[C@@]1(C[NH3+])CCCC[N@@H+](C[C@]2(O)CCC[NH2+]C2)C1 ZINC001246020163 807121111 /nfs/dbraw/zinc/12/11/11/807121111.db2.gz IGZXCCFTSHIQSM-KBPBESRZSA-N 3 2 255.406 0.552 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246025878 807124092 /nfs/dbraw/zinc/12/40/92/807124092.db2.gz DHNRWNSFOPCSIM-YHUYYLMFSA-N 3 2 295.402 0.679 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@H](O)C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246025878 807124097 /nfs/dbraw/zinc/12/40/97/807124097.db2.gz DHNRWNSFOPCSIM-YHUYYLMFSA-N 3 2 295.402 0.679 20 0 CCADLP COc1cccc([C@@H](O)C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1 ZINC001246030775 807126470 /nfs/dbraw/zinc/12/64/70/807126470.db2.gz YWSFDBQMAHVHKJ-HOTGVXAUSA-N 2 2 291.395 0.366 20 0 CCADLP COc1cccc([C@@H](O)C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1 ZINC001246030775 807126474 /nfs/dbraw/zinc/12/64/74/807126474.db2.gz YWSFDBQMAHVHKJ-HOTGVXAUSA-N 2 2 291.395 0.366 20 0 CCADLP [NH3+][C@]12CC[C@H]1C[N@H+](C[C@H](O)COCc1ccco1)C2 ZINC001246045986 807131542 /nfs/dbraw/zinc/13/15/42/807131542.db2.gz MFKUPBNTNZFTRJ-OBJOEFQTSA-N 2 2 266.341 0.580 20 0 CCADLP [NH3+][C@]12CC[C@H]1C[N@@H+](C[C@H](O)COCc1ccco1)C2 ZINC001246045986 807131550 /nfs/dbraw/zinc/13/15/50/807131550.db2.gz MFKUPBNTNZFTRJ-OBJOEFQTSA-N 2 2 266.341 0.580 20 0 CCADLP CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCc2c[nH+]cn2C)C1 ZINC000989735554 815092280 /nfs/dbraw/zinc/09/22/80/815092280.db2.gz CEWLMDLTLNYLJE-RYUDHWBXSA-N 2 2 264.373 0.952 20 0 CCADLP [NH3+][C@]12CC[C@@H]1C[N@H+](C[C@H](O)COCc1ccco1)C2 ZINC001246045984 807131982 /nfs/dbraw/zinc/13/19/82/807131982.db2.gz MFKUPBNTNZFTRJ-DYEKYZERSA-N 2 2 266.341 0.580 20 0 CCADLP [NH3+][C@]12CC[C@@H]1C[N@@H+](C[C@H](O)COCc1ccco1)C2 ZINC001246045984 807131988 /nfs/dbraw/zinc/13/19/88/807131988.db2.gz MFKUPBNTNZFTRJ-DYEKYZERSA-N 2 2 266.341 0.580 20 0 CCADLP CC(C)[C@@H](CNC1=[NH+]CCCCN1)[NH+]1CCN(C)CC1 ZINC000697661986 815092920 /nfs/dbraw/zinc/09/29/20/815092920.db2.gz HULWDBLWIVWNPB-CQSZACIVSA-N 2 2 281.448 0.587 20 0 CCADLP [NH3+]C[C@H]1CCC[N@@H+]1C[C@@H](O)COCC(F)(F)C(F)F ZINC001246060779 807137769 /nfs/dbraw/zinc/13/77/69/807137769.db2.gz DJZPINLGEZDMFU-RKDXNWHRSA-N 2 2 288.285 0.687 20 0 CCADLP [NH3+]C[C@H]1CCC[N@H+]1C[C@@H](O)COCC(F)(F)C(F)F ZINC001246060779 807137773 /nfs/dbraw/zinc/13/77/73/807137773.db2.gz DJZPINLGEZDMFU-RKDXNWHRSA-N 2 2 288.285 0.687 20 0 CCADLP COc1cccc(OC[C@@H](O)C[N@H+](C)C[C@H](C)[NH3+])c1 ZINC001246059208 807137876 /nfs/dbraw/zinc/13/78/76/807137876.db2.gz NFMOAGPSYZVZQP-RYUDHWBXSA-N 2 2 268.357 0.714 20 0 CCADLP COc1cccc(OC[C@@H](O)C[N@@H+](C)C[C@H](C)[NH3+])c1 ZINC001246059208 807137879 /nfs/dbraw/zinc/13/78/79/807137879.db2.gz NFMOAGPSYZVZQP-RYUDHWBXSA-N 2 2 268.357 0.714 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)CN1 ZINC001246077915 807144491 /nfs/dbraw/zinc/14/44/91/807144491.db2.gz ADWHQXUMBSVTJT-CYDGBPFRSA-N 2 2 269.389 0.400 20 0 CCADLP O=C1CC[C@@H]2C[C@H]([NH2+][C@H]3CC[NH2+]C[C@H]3F)CCN12 ZINC001246099421 807152543 /nfs/dbraw/zinc/15/25/43/807152543.db2.gz QYHISPHLPDTCCR-KKOKHZNYSA-N 2 2 255.337 0.429 20 0 CCADLP CC[C@@]1(C(=O)OC)C[C@@H](N[C@@H]2C[NH2+]CC[C@H]2C)C[NH2+]1 ZINC001246116085 807158791 /nfs/dbraw/zinc/15/87/91/807158791.db2.gz DNZZNYFRHRUPDX-BYNQJWBRSA-N 2 2 269.389 0.258 20 0 CCADLP COC(=O)[C@@H]1C[C@H](NCC[NH2+]Cc2ccccc2)C[NH2+]1 ZINC001246165314 807173366 /nfs/dbraw/zinc/17/33/66/807173366.db2.gz GPVNFAZFSXASSH-KBPBESRZSA-N 2 2 277.368 0.269 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCNC(=O)C(F)(F)F)CC[NH2+]1 ZINC001246178656 807178214 /nfs/dbraw/zinc/17/82/14/807178214.db2.gz JTXRDOQGLTWHFH-SFYZADRCSA-N 2 2 253.268 0.395 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@@H](NC[C@H]([NH3+])c2ccccc2)C[NH2+]1 ZINC001246280013 807205475 /nfs/dbraw/zinc/20/54/75/807205475.db2.gz POJJPBGZJIQSAH-IJEWVQPXSA-N 2 2 291.395 0.960 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC001246304785 807215726 /nfs/dbraw/zinc/21/57/26/807215726.db2.gz IEOBMYVLNKEMQG-FPMFFAJLSA-N 2 2 266.772 0.977 20 0 CCADLP CCCC[C@@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(=O)OC ZINC001246304763 807215788 /nfs/dbraw/zinc/21/57/88/807215788.db2.gz BHCRCFKITMGJHX-VXGBXAGGSA-N 2 2 269.389 0.402 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@@H]1[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC001246304793 807216186 /nfs/dbraw/zinc/21/61/86/807216186.db2.gz IEOBMYVLNKEMQG-YUTCNCBUSA-N 2 2 266.772 0.977 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@@H]1[NH2+]C1Cc2cc(F)c(F)cc2C1 ZINC001246306744 807216854 /nfs/dbraw/zinc/21/68/54/807216854.db2.gz LHCYUHVIJCTYNZ-HZMBPMFUSA-N 2 2 268.307 0.602 20 0 CCADLP CC(C)[C@@H]([NH3+])CN[C@@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246332898 807225338 /nfs/dbraw/zinc/22/53/38/807225338.db2.gz OBGIQDBSIGZYOW-SRVKXCTJSA-N 2 2 271.405 0.632 20 0 CCADLP O=C1COCCN1c1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC001246348618 807229001 /nfs/dbraw/zinc/22/90/01/807229001.db2.gz DCOQNLRDCOWKIS-CQSZACIVSA-N 2 2 289.379 0.891 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)CO1 ZINC001246356302 807231523 /nfs/dbraw/zinc/23/15/23/807231523.db2.gz GSPUCQJWAPZHRX-UTUOFQBUSA-N 2 2 256.346 0.439 20 0 CCADLP O=C(C1CCOCC1)N1CC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC001246363501 807235285 /nfs/dbraw/zinc/23/52/85/807235285.db2.gz YCIAWERXFCIZDE-KGLIPLIRSA-N 2 2 281.400 0.356 20 0 CCADLP COCCOc1nccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)n1 ZINC001246434185 807251484 /nfs/dbraw/zinc/25/14/84/807251484.db2.gz LZHIBHAWDYXVKF-RYUDHWBXSA-N 2 2 280.372 0.732 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N2CC[NH+](C3CCCCC3)CC2)C[NH2+]1 ZINC001246536140 807277293 /nfs/dbraw/zinc/27/72/93/807277293.db2.gz BZVQYZSPGLZGCD-GJZGRUSLSA-N 2 2 295.427 0.840 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@@H]([N@@H+]2CCC[C@H]([NH3+])CC2)CN1 ZINC001246542981 807278705 /nfs/dbraw/zinc/27/87/05/807278705.db2.gz QQMKERLQOSFDQF-OUCADQQQSA-N 2 2 269.389 0.483 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@@H]([N@H+]2CCC[C@H]([NH3+])CC2)CN1 ZINC001246542981 807278707 /nfs/dbraw/zinc/27/87/07/807278707.db2.gz QQMKERLQOSFDQF-OUCADQQQSA-N 2 2 269.389 0.483 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]([NH3+])CC2)CN1 ZINC001246544791 807280854 /nfs/dbraw/zinc/28/08/54/807280854.db2.gz ZBUHOVYNADSCQV-XQQFMLRXSA-N 2 2 283.416 0.872 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H]([N@H+]2CCC[C@H]([NH3+])CC2)CN1 ZINC001246544791 807280858 /nfs/dbraw/zinc/28/08/58/807280858.db2.gz ZBUHOVYNADSCQV-XQQFMLRXSA-N 2 2 283.416 0.872 20 0 CCADLP CC1(C)C[C@@H]([N@@H+]2CCCC[C@@](O)(C[NH3+])C2)CC[NH2+]1 ZINC001246555054 807283742 /nfs/dbraw/zinc/28/37/42/807283742.db2.gz AWGZULGXPCQHBC-GXTWGEPZSA-N 3 2 255.406 0.693 20 0 CCADLP CC1(C)C[C@@H]([N@H+]2CCCC[C@@](O)(C[NH3+])C2)CC[NH2+]1 ZINC001246555054 807283745 /nfs/dbraw/zinc/28/37/45/807283745.db2.gz AWGZULGXPCQHBC-GXTWGEPZSA-N 3 2 255.406 0.693 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CN1 ZINC001246565641 807292629 /nfs/dbraw/zinc/29/26/29/807292629.db2.gz CTCPLQMIUXOFCB-YFKTTZPYSA-N 2 2 273.352 0.041 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)CN1 ZINC001246565641 807292633 /nfs/dbraw/zinc/29/26/33/807292633.db2.gz CTCPLQMIUXOFCB-YFKTTZPYSA-N 2 2 273.352 0.041 20 0 CCADLP [NH3+]C[C@@]1(F)CCCC[N@@H+]([C@@H]2CCOC3(C[NH2+]C3)C2)C1 ZINC001246581472 807303902 /nfs/dbraw/zinc/30/39/02/807303902.db2.gz PXCNKXYMNQQCHJ-OLZOCXBDSA-N 3 2 271.380 0.660 20 0 CCADLP [NH3+]C[C@@]1(F)CCCC[N@H+]([C@@H]2CCOC3(C[NH2+]C3)C2)C1 ZINC001246581472 807303911 /nfs/dbraw/zinc/30/39/11/807303911.db2.gz PXCNKXYMNQQCHJ-OLZOCXBDSA-N 3 2 271.380 0.660 20 0 CCADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C[C@H](O)[C@@H](C[NH3+])C1)C2 ZINC001246585561 807305435 /nfs/dbraw/zinc/30/54/35/807305435.db2.gz PCCWMVIRHOUQND-HPCHECBXSA-N 3 2 253.390 0.253 20 0 CCADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1C[C@H](O)[C@@H](C[NH3+])C1)C2 ZINC001246585561 807305444 /nfs/dbraw/zinc/30/54/44/807305444.db2.gz PCCWMVIRHOUQND-HPCHECBXSA-N 3 2 253.390 0.253 20 0 CCADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1)C2 ZINC001246585561 807305453 /nfs/dbraw/zinc/30/54/53/807305453.db2.gz PCCWMVIRHOUQND-HPCHECBXSA-N 3 2 253.390 0.253 20 0 CCADLP C[NH+]1[C@@H]2CCC[C@H]1C[C@H]([N@H+]1C[C@H](O)[C@@H](C[NH3+])C1)C2 ZINC001246585561 807305461 /nfs/dbraw/zinc/30/54/61/807305461.db2.gz PCCWMVIRHOUQND-HPCHECBXSA-N 3 2 253.390 0.253 20 0 CCADLP CC(=O)N1CC[C@@H]([N@@H+]2CCC[C@]23CCC[NH2+]C3)C1 ZINC001246608317 807322522 /nfs/dbraw/zinc/32/25/22/807322522.db2.gz JCVDLSNZYNPPKK-KGLIPLIRSA-N 2 2 251.374 0.825 20 0 CCADLP CC(=O)N1CC[C@@H]([N@H+]2CCC[C@]23CCC[NH2+]C3)C1 ZINC001246608317 807322527 /nfs/dbraw/zinc/32/25/27/807322527.db2.gz JCVDLSNZYNPPKK-KGLIPLIRSA-N 2 2 251.374 0.825 20 0 CCADLP C1C[NH2+]C[C@H]([N@@H+]2CCOCC3(CC[NH2+]CC3)C2)C1 ZINC001246617180 807326139 /nfs/dbraw/zinc/32/61/39/807326139.db2.gz YHWMQSJJUTYWIV-CYBMUJFWSA-N 3 2 253.390 0.440 20 0 CCADLP C1C[NH2+]C[C@H]([N@H+]2CCOCC3(CC[NH2+]CC3)C2)C1 ZINC001246617180 807326147 /nfs/dbraw/zinc/32/61/47/807326147.db2.gz YHWMQSJJUTYWIV-CYBMUJFWSA-N 3 2 253.390 0.440 20 0 CCADLP CC1(C)C[C@@H]([N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)CC[NH2+]1 ZINC001246642008 807341588 /nfs/dbraw/zinc/34/15/88/807341588.db2.gz KUIIVKNPSHHXRO-JSGCOSHPSA-N 3 2 252.406 0.154 20 0 CCADLP CC1(C)C[C@@H]([N@H+]2CCN[C@]3(CC[NH2+]C3)C2)CC[NH2+]1 ZINC001246642008 807341593 /nfs/dbraw/zinc/34/15/93/807341593.db2.gz KUIIVKNPSHHXRO-JSGCOSHPSA-N 3 2 252.406 0.154 20 0 CCADLP C(C1CC1)[N@@H+]1CCC2(C[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246718611 807363763 /nfs/dbraw/zinc/36/37/63/807363763.db2.gz JFZWVXOCWIQBDL-OAHLLOKOSA-N 3 2 290.455 0.498 20 0 CCADLP C(C1CC1)[N@H+]1CCC2(C[NH+]([C@@H]3CCNC4(C[NH2+]C4)C3)C2)C1 ZINC001246718611 807363772 /nfs/dbraw/zinc/36/37/72/807363772.db2.gz JFZWVXOCWIQBDL-OAHLLOKOSA-N 3 2 290.455 0.498 20 0 CCADLP CN(C)C1=[NH+]OC2(C1)CCN([C@@H]1CCC[NH2+]C1)CC2 ZINC001246735291 807367880 /nfs/dbraw/zinc/36/78/80/807367880.db2.gz GMFXMFNCMSKUFH-GFCCVEGCSA-N 2 2 266.389 0.868 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N2CC[C@@H]([NH+]3CCCCC3)C2)C[NH2+]1 ZINC001246800535 807387321 /nfs/dbraw/zinc/38/73/21/807387321.db2.gz QNCCEJMGPZATEU-MCIONIFRSA-N 2 2 281.400 0.450 20 0 CCADLP CS(=O)(=O)C1CCC([N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246851794 807406338 /nfs/dbraw/zinc/40/63/38/807406338.db2.gz HOJPKAFWZOXTHF-XVSSEFHLSA-N 2 2 272.414 0.765 20 0 CCADLP CS(=O)(=O)C1CCC([N@H+]2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246851794 807406344 /nfs/dbraw/zinc/40/63/44/807406344.db2.gz HOJPKAFWZOXTHF-XVSSEFHLSA-N 2 2 272.414 0.765 20 0 CCADLP c1cc(N2CCC([N@@H+]3C[C@H]4C[NH2+]C[C@@H]43)CC2)cc[nH+]1 ZINC001246923805 807430620 /nfs/dbraw/zinc/43/06/20/807430620.db2.gz ZODKQWINRFZJCL-DOMZBBRYSA-N 3 2 258.369 0.954 20 0 CCADLP c1cc(N2CCC([N@H+]3C[C@H]4C[NH2+]C[C@@H]43)CC2)cc[nH+]1 ZINC001246923805 807430622 /nfs/dbraw/zinc/43/06/22/807430622.db2.gz ZODKQWINRFZJCL-DOMZBBRYSA-N 3 2 258.369 0.954 20 0 CCADLP CC[N@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CN[C@H](C(=O)OC(C)(C)C)C1 ZINC001246942691 807437167 /nfs/dbraw/zinc/43/71/67/807437167.db2.gz OHCLRDOGAUJUPS-IHRRRGAJSA-N 2 2 297.443 0.990 20 0 CCADLP CC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CN[C@H](C(=O)OC(C)(C)C)C1 ZINC001246942691 807437171 /nfs/dbraw/zinc/43/71/71/807437171.db2.gz OHCLRDOGAUJUPS-IHRRRGAJSA-N 2 2 297.443 0.990 20 0 CCADLP CCCNC(=O)COC1CC[NH+]([C@@H]2CCC[NH2+]C2)CC1 ZINC001246973950 807445080 /nfs/dbraw/zinc/44/50/80/807445080.db2.gz LRINBWFGWBUPGZ-CYBMUJFWSA-N 2 2 283.416 0.746 20 0 CCADLP CO[C@@H]1C[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)C[C@@H]1[NH3+] ZINC001246984170 807447598 /nfs/dbraw/zinc/44/75/98/807447598.db2.gz ZGANXKTVFKWOOK-UONOGXRCSA-N 3 2 267.417 0.957 20 0 CCADLP CO[C@@H]1C[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C[C@@H]1[NH3+] ZINC001246984170 807447602 /nfs/dbraw/zinc/44/76/02/807447602.db2.gz ZGANXKTVFKWOOK-UONOGXRCSA-N 3 2 267.417 0.957 20 0 CCADLP FC(F)(F)[C@@H]1C[N@@H+]([C@@H]2CCC[NH2+]CC2)CCN1 ZINC001246990344 807448702 /nfs/dbraw/zinc/44/87/02/807448702.db2.gz NICMVKUWVMCMOT-ZJUUUORDSA-N 2 2 251.296 0.965 20 0 CCADLP FC(F)(F)[C@@H]1C[N@H+]([C@@H]2CCC[NH2+]CC2)CCN1 ZINC001246990344 807448703 /nfs/dbraw/zinc/44/87/03/807448703.db2.gz NICMVKUWVMCMOT-ZJUUUORDSA-N 2 2 251.296 0.965 20 0 CCADLP C1[NH2+]CC12C[C@@H]([N@@H+]1CC[C@H]3[NH2+]CCC[C@H]3C1)CS2 ZINC001247016485 807454510 /nfs/dbraw/zinc/45/45/10/807454510.db2.gz WCTGJLVIOBCERX-YNEHKIRRSA-N 3 2 267.442 0.908 20 0 CCADLP C1[NH2+]CC12C[C@@H]([N@H+]1CC[C@H]3[NH2+]CCC[C@H]3C1)CS2 ZINC001247016485 807454513 /nfs/dbraw/zinc/45/45/13/807454513.db2.gz WCTGJLVIOBCERX-YNEHKIRRSA-N 3 2 267.442 0.908 20 0 CCADLP O[C@@H]1C[NH2+]C[C@@H]1c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001247712564 807480693 /nfs/dbraw/zinc/48/06/93/807480693.db2.gz VSUVVDNBJSFTKI-QWHCGFSZSA-N 2 2 297.318 0.970 20 0 CCADLP O[C@H]1C[NH2+]C[C@H]1c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001247711263 807481239 /nfs/dbraw/zinc/48/12/39/807481239.db2.gz OKRNFDSJUUWDSN-YPMHNXCESA-N 2 2 297.318 0.970 20 0 CCADLP Cn1c(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cccc1=O ZINC001248808939 807527110 /nfs/dbraw/zinc/52/71/10/807527110.db2.gz ATZCCHDPSYJLAL-OAHLLOKOSA-N 2 2 261.369 0.913 20 0 CCADLP Cn1c(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cccc1=O ZINC001248808939 807527114 /nfs/dbraw/zinc/52/71/14/807527114.db2.gz ATZCCHDPSYJLAL-OAHLLOKOSA-N 2 2 261.369 0.913 20 0 CCADLP Cn1c(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cccc1=O ZINC001248808939 807527118 /nfs/dbraw/zinc/52/71/18/807527118.db2.gz ATZCCHDPSYJLAL-OAHLLOKOSA-N 2 2 261.369 0.913 20 0 CCADLP Cn1c(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cccc1=O ZINC001248808939 807527121 /nfs/dbraw/zinc/52/71/21/807527121.db2.gz ATZCCHDPSYJLAL-OAHLLOKOSA-N 2 2 261.369 0.913 20 0 CCADLP [NH3+][C@H](CO)Cc1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001249089843 807540889 /nfs/dbraw/zinc/54/08/89/807540889.db2.gz CITWRZOKTVJHOS-JTQLQIEISA-N 2 2 285.307 0.784 20 0 CCADLP COc1ccc(-c2noc(C[C@@H]([NH3+])C[NH3+])n2)c(F)c1 ZINC001249128870 807544374 /nfs/dbraw/zinc/54/43/74/807544374.db2.gz HVQMIHNGHNPKJC-SSDOTTSWSA-N 2 2 266.276 0.713 20 0 CCADLP COc1c(F)cc(F)cc1-c1noc(C[C@@H]([NH3+])C[NH3+])n1 ZINC001249128477 807544509 /nfs/dbraw/zinc/54/45/09/807544509.db2.gz DBPXHLWETYPZPC-SSDOTTSWSA-N 2 2 284.266 0.852 20 0 CCADLP [NH3+]C[C@H]([NH3+])Cc1nc(-c2cnc3c(c2)CCCC3)no1 ZINC001249129679 807544752 /nfs/dbraw/zinc/54/47/52/807544752.db2.gz ZPKDFPVOGAUPGH-LLVKDONJSA-N 2 2 273.340 0.839 20 0 CCADLP COc1cc(F)ccc1-c1noc(C[C@@H]([NH3+])C[NH3+])n1 ZINC001249130223 807546567 /nfs/dbraw/zinc/54/65/67/807546567.db2.gz ZBHACHMINLLQRA-MRVPVSSYSA-N 2 2 266.276 0.713 20 0 CCADLP OCCC1([NH2+]C2CC[NH+](CC3CC3)CC2)COC1 ZINC001168358785 815131591 /nfs/dbraw/zinc/13/15/91/815131591.db2.gz VGXFTRAJBQZIFE-UHFFFAOYSA-N 2 2 254.374 0.602 20 0 CCADLP CC[NH+]1C[C@@H]2C[NH+](C[C@H](O)C(F)(F)F)C[C@H]2C1 ZINC001250976270 807628402 /nfs/dbraw/zinc/62/84/02/807628402.db2.gz AUAJSBKXAUEIQG-BBBLOLIVSA-N 2 2 252.280 0.793 20 0 CCADLP O[C@@H](C[NH2+]CCOc1cc[nH+]cc1)C(F)(F)F ZINC001251001482 807634102 /nfs/dbraw/zinc/63/41/02/807634102.db2.gz JLXKWLDVRRDNEG-VIFPVBQESA-N 2 2 250.220 0.973 20 0 CCADLP CC(C)[N@H+](C)[C@H]1CCN(C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC001251025175 807645319 /nfs/dbraw/zinc/64/53/19/807645319.db2.gz UQSFCJIPDPRALP-GJZGRUSLSA-N 2 2 285.432 0.094 20 0 CCADLP CC(C)[N@@H+](C)[C@H]1CCN(C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC001251025175 807645327 /nfs/dbraw/zinc/64/53/27/807645327.db2.gz UQSFCJIPDPRALP-GJZGRUSLSA-N 2 2 285.432 0.094 20 0 CCADLP CC1(C)CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1[NH2+]CCCO ZINC001278646164 807797792 /nfs/dbraw/zinc/79/77/92/807797792.db2.gz ZFGGADQKGFIFRL-ZDUSSCGKSA-N 2 2 294.399 0.551 20 0 CCADLP CC1(C)CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CCCO ZINC001278646164 807797796 /nfs/dbraw/zinc/79/77/96/807797796.db2.gz ZFGGADQKGFIFRL-ZDUSSCGKSA-N 2 2 294.399 0.551 20 0 CCADLP CCC[C@@H](O)C[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001252782790 807958505 /nfs/dbraw/zinc/95/85/05/807958505.db2.gz UNTNITNACAHCIP-BFHYXJOUSA-N 2 2 256.390 0.800 20 0 CCADLP CCC[C@@H](O)C[N@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001252782790 807958512 /nfs/dbraw/zinc/95/85/12/807958512.db2.gz UNTNITNACAHCIP-BFHYXJOUSA-N 2 2 256.390 0.800 20 0 CCADLP CCC[C@@H](O)C[NH+]1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001252782790 807958517 /nfs/dbraw/zinc/95/85/17/807958517.db2.gz UNTNITNACAHCIP-BFHYXJOUSA-N 2 2 256.390 0.800 20 0 CCADLP CCC[C@@H](O)C[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001252782790 807958522 /nfs/dbraw/zinc/95/85/22/807958522.db2.gz UNTNITNACAHCIP-BFHYXJOUSA-N 2 2 256.390 0.800 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])NC[C@](C)(O)c2ccccc2)CC1 ZINC001253116420 808005493 /nfs/dbraw/zinc/00/54/93/808005493.db2.gz JADDVHNGHYEPLC-HNNXBMFYSA-N 2 2 276.384 0.666 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+]C1COC(C)(C)OC1 ZINC001253207247 808031179 /nfs/dbraw/zinc/03/11/79/808031179.db2.gz CFXGRLYPDHSVSM-LBPRGKRZSA-N 2 2 260.378 0.430 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@@H](Oc2cnccn2)C1 ZINC001253396599 808056765 /nfs/dbraw/zinc/05/67/65/808056765.db2.gz AZNLYPMDHHTJNL-CHWSQXEVSA-N 2 2 294.399 0.679 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@@H](Oc2cnccn2)C1 ZINC001253396599 808056772 /nfs/dbraw/zinc/05/67/72/808056772.db2.gz AZNLYPMDHHTJNL-CHWSQXEVSA-N 2 2 294.399 0.679 20 0 CCADLP Cc1nn(C)cc1C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253404499 808058761 /nfs/dbraw/zinc/05/87/61/808058761.db2.gz XNHXGXPNOORYSO-LBPRGKRZSA-N 2 2 254.378 0.567 20 0 CCADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253413098 808064300 /nfs/dbraw/zinc/06/43/00/808064300.db2.gz XXLMILJUTAISCE-RWMBFGLXSA-N 3 2 257.422 0.665 20 0 CCADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253413098 808064292 /nfs/dbraw/zinc/06/42/92/808064292.db2.gz XXLMILJUTAISCE-RWMBFGLXSA-N 3 2 257.422 0.665 20 0 CCADLP CCCCC[C@@H](O)C[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001253540914 808079243 /nfs/dbraw/zinc/07/92/43/808079243.db2.gz IQWAFEWBYCEVCG-OAHLLOKOSA-N 2 2 269.433 0.859 20 0 CCADLP [NH3+]CCC(=O)NCCc1c[nH+]cn1[C@H]1CCCOC1 ZINC001254370216 808224579 /nfs/dbraw/zinc/22/45/79/808224579.db2.gz NRBZLTYTSKKKHE-LBPRGKRZSA-N 2 2 266.345 0.242 20 0 CCADLP CCOC(=O)C[NH+]1CCC(n2cc(C[NH3+])cn2)CC1 ZINC001254394368 808231998 /nfs/dbraw/zinc/23/19/98/808231998.db2.gz NSSNRQYYXKYVHC-UHFFFAOYSA-N 2 2 266.345 0.542 20 0 CCADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)N[C@H]1CCC[N@H+](C)CC1 ZINC001254510483 808247910 /nfs/dbraw/zinc/24/79/10/808247910.db2.gz WYUYWQIORFJZMN-GXTWGEPZSA-N 2 2 294.399 0.578 20 0 CCADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)N[C@H]1CCC[N@@H+](C)CC1 ZINC001254510483 808247915 /nfs/dbraw/zinc/24/79/15/808247915.db2.gz WYUYWQIORFJZMN-GXTWGEPZSA-N 2 2 294.399 0.578 20 0 CCADLP C[N@@H+]1CCC[C@H]([NH+]2CC(N3CCOCC3)C2)CC1 ZINC001254524433 808253234 /nfs/dbraw/zinc/25/32/34/808253234.db2.gz WPZLMOOSZZAZES-ZDUSSCGKSA-N 2 2 253.390 0.487 20 0 CCADLP C[N@H+]1CCC[C@H]([NH+]2CC(N3CCOCC3)C2)CC1 ZINC001254524433 808253237 /nfs/dbraw/zinc/25/32/37/808253237.db2.gz WPZLMOOSZZAZES-ZDUSSCGKSA-N 2 2 253.390 0.487 20 0 CCADLP CC(=O)NC[C@@H](C)C[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254842572 808285820 /nfs/dbraw/zinc/28/58/20/808285820.db2.gz FIPOHWMYDNGAEQ-BXUZGUMPSA-N 2 2 253.390 0.833 20 0 CCADLP O=C1C[C@H]([NH2+][C@H]2CC3CC[NH+](CC3)C2)CCCN1 ZINC001254850003 808286491 /nfs/dbraw/zinc/28/64/91/808286491.db2.gz CIXUZQWRUMFMGP-OLZOCXBDSA-N 2 2 251.374 0.729 20 0 CCADLP C[NH+]1CC(C[NH2+]C2CCN(C(=O)C(F)(F)F)CC2)C1 ZINC001255975984 808444507 /nfs/dbraw/zinc/44/45/07/808444507.db2.gz KKEOQPBZZQWCKS-UHFFFAOYSA-N 2 2 279.306 0.691 20 0 CCADLP C[C@@H](C[NH+](C)C)[NH2+]C1CCN(c2ncccn2)CC1 ZINC001256045521 808459447 /nfs/dbraw/zinc/45/94/47/808459447.db2.gz QOOYDNVKRKVIOF-LBPRGKRZSA-N 2 2 263.389 0.985 20 0 CCADLP C[C@H](C[NH+](C)C)[NH2+][C@@H](C)CC(=O)N1CCOCC1 ZINC001256320402 808491780 /nfs/dbraw/zinc/49/17/80/808491780.db2.gz NAVPZEJHSWNEGF-NWDGAFQWSA-N 2 2 257.378 0.164 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=[NH2+])N1CC[NH+](C)CC1)C2 ZINC001256615418 808540760 /nfs/dbraw/zinc/54/07/60/808540760.db2.gz FBBZLIBHNMZWEC-YHWZYXNKSA-N 3 2 265.405 0.383 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=[NH2+])N1CC[NH+](C)CC1)C2 ZINC001256615418 808540767 /nfs/dbraw/zinc/54/07/67/808540767.db2.gz FBBZLIBHNMZWEC-YHWZYXNKSA-N 3 2 265.405 0.383 20 0 CCADLP COCC[NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C(C)(C)C ZINC001279009539 808611448 /nfs/dbraw/zinc/61/14/48/808611448.db2.gz RGJNSQAYBSFDGJ-GFCCVEGCSA-N 2 2 282.388 0.719 20 0 CCADLP CCCCOC(=O)CC[C@@H](C)[NH2+][C@@H]1COC[C@H]1[NH3+] ZINC001257378317 808613440 /nfs/dbraw/zinc/61/34/40/808613440.db2.gz JCNKPTHUYCZNFG-IJLUTSLNSA-N 2 2 258.362 0.814 20 0 CCADLP CCOC(=O)[C@H](CCC[NH3+])[NH2+][C@H](C)CCC(=O)OC ZINC001258356129 808675360 /nfs/dbraw/zinc/67/53/60/808675360.db2.gz QKJQQSZWSQKMSM-MNOVXSKESA-N 2 2 274.361 0.588 20 0 CCADLP C[C@H](Cc1cccnc1)NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001258611676 808695769 /nfs/dbraw/zinc/69/57/69/808695769.db2.gz MQPAHCFSOVXCHQ-GFCCVEGCSA-N 2 2 261.373 0.784 20 0 CCADLP C[C@H](Cc1cccnc1)[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001258632218 808697398 /nfs/dbraw/zinc/69/73/98/808697398.db2.gz WGWCPBZIFNYHNT-CQSZACIVSA-N 2 2 274.412 0.944 20 0 CCADLP NC(=O)c1csc(C[NH2+]CC2([NH3+])CCOCC2)c1 ZINC001261835113 809103480 /nfs/dbraw/zinc/10/34/80/809103480.db2.gz JSKJDWUNOWRXBZ-UHFFFAOYSA-N 2 2 269.370 0.445 20 0 CCADLP Cc1cc(C)c(CNC(=O)C(=O)NCCC(C)(C)[NH3+])c[nH+]1 ZINC001262060722 809176917 /nfs/dbraw/zinc/17/69/17/809176917.db2.gz IHWFYEKHOVBFHS-UHFFFAOYSA-N 2 2 292.383 0.558 20 0 CCADLP C[C@H](C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)n1cc[nH+]c1 ZINC001262345898 809284693 /nfs/dbraw/zinc/28/46/93/809284693.db2.gz BDAKKFNWSJCGJV-MBNYWOFBSA-N 2 2 262.357 0.854 20 0 CCADLP C[C@H](C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)n1cc[nH+]c1 ZINC001262345898 809284696 /nfs/dbraw/zinc/28/46/96/809284696.db2.gz BDAKKFNWSJCGJV-MBNYWOFBSA-N 2 2 262.357 0.854 20 0 CCADLP [NH3+]C[C@H]1C[C@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC001262482761 809317405 /nfs/dbraw/zinc/31/74/05/809317405.db2.gz MAVYOLSYNVOZIL-KOMQPUFPSA-N 3 2 296.459 0.110 20 0 CCADLP C[C@@H](Nc1nccnc1C[NH3+])[C@H]1C[N@H+](C)CCO1 ZINC001262687252 809394875 /nfs/dbraw/zinc/39/48/75/809394875.db2.gz IUXKDGRHCVYIAM-MWLCHTKSSA-N 2 2 251.334 0.066 20 0 CCADLP C[C@@H](Nc1nccnc1C[NH3+])[C@H]1C[N@@H+](C)CCO1 ZINC001262687252 809394880 /nfs/dbraw/zinc/39/48/80/809394880.db2.gz IUXKDGRHCVYIAM-MWLCHTKSSA-N 2 2 251.334 0.066 20 0 CCADLP CC(C)(C(=O)N1CCC2(C[NH2+]C2)CC1)c1c[nH+]c[nH]1 ZINC001263150436 809460922 /nfs/dbraw/zinc/46/09/22/809460922.db2.gz ALSBHIXXMJGWPG-UHFFFAOYSA-N 2 2 262.357 0.899 20 0 CCADLP C[NH+]1CC(C[NH2+]C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000379476996 809512727 /nfs/dbraw/zinc/51/27/27/809512727.db2.gz WZEBWZMTLZWJBR-CYBMUJFWSA-N 2 2 268.332 0.717 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001263838177 809584105 /nfs/dbraw/zinc/58/41/05/809584105.db2.gz VOFATDKIEXFCJZ-NEPJUHHUSA-N 2 2 262.357 0.515 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001263838177 809584108 /nfs/dbraw/zinc/58/41/08/809584108.db2.gz VOFATDKIEXFCJZ-NEPJUHHUSA-N 2 2 262.357 0.515 20 0 CCADLP COCCC[NH+]1CCC(N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001265197073 809722123 /nfs/dbraw/zinc/72/21/23/809722123.db2.gz CFCMQKLNPBZMJE-UHFFFAOYSA-N 2 2 294.399 0.912 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]([NH2+]CCCF)C1 ZINC001265921099 809894383 /nfs/dbraw/zinc/89/43/83/809894383.db2.gz IEQJBJBSNJRLLL-LBPRGKRZSA-N 2 2 282.363 0.903 20 0 CCADLP CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[C@@H](C)O ZINC001266051222 809927097 /nfs/dbraw/zinc/92/70/97/809927097.db2.gz NJVHOXIZGIOZHI-JHJVBQTASA-N 2 2 294.399 0.722 20 0 CCADLP CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[C@@H](C)O ZINC001266051222 809927103 /nfs/dbraw/zinc/92/71/03/809927103.db2.gz NJVHOXIZGIOZHI-JHJVBQTASA-N 2 2 294.399 0.722 20 0 CCADLP CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[C@@H](C)O ZINC001266051222 809927106 /nfs/dbraw/zinc/92/71/06/809927106.db2.gz NJVHOXIZGIOZHI-JHJVBQTASA-N 2 2 294.399 0.722 20 0 CCADLP CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[C@@H](C)O ZINC001266051222 809927110 /nfs/dbraw/zinc/92/71/10/809927110.db2.gz NJVHOXIZGIOZHI-JHJVBQTASA-N 2 2 294.399 0.722 20 0 CCADLP COCC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001266070268 809930255 /nfs/dbraw/zinc/93/02/55/809930255.db2.gz AHQHKIXDGKOSFF-VXGBXAGGSA-N 2 2 280.372 0.616 20 0 CCADLP COCC[NH2+]C1CC(N(C)C(=O)CCc2[nH+]ccn2C)C1 ZINC001279264741 809973694 /nfs/dbraw/zinc/97/36/94/809973694.db2.gz QBKHWIIOVMKMPY-UHFFFAOYSA-N 2 2 294.399 0.578 20 0 CCADLP COCCC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001267279934 811086927 /nfs/dbraw/zinc/08/69/27/811086927.db2.gz NWOSYLIBERIZNP-CYBMUJFWSA-N 2 2 294.399 0.580 20 0 CCADLP COCCC[N@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001267279934 811086934 /nfs/dbraw/zinc/08/69/34/811086934.db2.gz NWOSYLIBERIZNP-CYBMUJFWSA-N 2 2 294.399 0.580 20 0 CCADLP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CC[N@@H+]1CCO ZINC001038314120 811407524 /nfs/dbraw/zinc/40/75/24/811407524.db2.gz HKRQNGXPLASING-LBPRGKRZSA-N 2 2 297.424 0.606 20 0 CCADLP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CC[N@H+]1CCO ZINC001038314120 811407532 /nfs/dbraw/zinc/40/75/32/811407532.db2.gz HKRQNGXPLASING-LBPRGKRZSA-N 2 2 297.424 0.606 20 0 CCADLP CCc1nocc1C[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149135071 811512252 /nfs/dbraw/zinc/51/22/52/811512252.db2.gz OXZAFMDGUOUXNU-UHFFFAOYSA-N 2 2 291.355 0.717 20 0 CCADLP CC(C)SCC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000721903453 811688797 /nfs/dbraw/zinc/68/87/97/811688797.db2.gz QYLGFLKGGAVFAN-UHFFFAOYSA-N 2 2 259.419 0.667 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCO[C@@H]2C[N@H+](CC3CC3)C[C@@H]21 ZINC001083291260 811704995 /nfs/dbraw/zinc/70/49/95/811704995.db2.gz XRYVEFACPHDPDP-UONOGXRCSA-N 2 2 290.367 0.205 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCO[C@@H]2C[N@@H+](CC3CC3)C[C@@H]21 ZINC001083291260 811705002 /nfs/dbraw/zinc/70/50/02/811705002.db2.gz XRYVEFACPHDPDP-UONOGXRCSA-N 2 2 290.367 0.205 20 0 CCADLP CC[C@H](C)C[C@H](C)NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220240452 811725404 /nfs/dbraw/zinc/72/54/04/811725404.db2.gz LFEVVZIFVMDTEM-ZJQBRPOHSA-N 2 2 253.390 0.879 20 0 CCADLP CC[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]CCO ZINC001267822307 811816897 /nfs/dbraw/zinc/81/68/97/811816897.db2.gz MHSXNVRPIZHMTH-WDEREUQCSA-N 2 2 268.361 0.065 20 0 CCADLP CC[C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]CCO ZINC001267822307 811816901 /nfs/dbraw/zinc/81/69/01/811816901.db2.gz MHSXNVRPIZHMTH-WDEREUQCSA-N 2 2 268.361 0.065 20 0 CCADLP CC(C)=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](O)C1 ZINC001083572153 815479986 /nfs/dbraw/zinc/47/99/86/815479986.db2.gz CPWYLAGWGWFCGW-ILXRZTDVSA-N 2 2 295.427 0.598 20 0 CCADLP CC(C)=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](O)C1 ZINC001083572153 815479991 /nfs/dbraw/zinc/47/99/91/815479991.db2.gz CPWYLAGWGWFCGW-ILXRZTDVSA-N 2 2 295.427 0.598 20 0 CCADLP CC(C)=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083572153 815479994 /nfs/dbraw/zinc/47/99/94/815479994.db2.gz CPWYLAGWGWFCGW-ILXRZTDVSA-N 2 2 295.427 0.598 20 0 CCADLP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](O)C1 ZINC001083572153 815479997 /nfs/dbraw/zinc/47/99/97/815479997.db2.gz CPWYLAGWGWFCGW-ILXRZTDVSA-N 2 2 295.427 0.598 20 0 CCADLP C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@@H+]1CCC[NH2+]CC1 ZINC001204655124 812081848 /nfs/dbraw/zinc/08/18/48/812081848.db2.gz VGHCCGUQWCHUPH-NSHDSACASA-N 2 2 277.368 0.401 20 0 CCADLP C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@H+]1CCC[NH2+]CC1 ZINC001204655124 812081857 /nfs/dbraw/zinc/08/18/57/812081857.db2.gz VGHCCGUQWCHUPH-NSHDSACASA-N 2 2 277.368 0.401 20 0 CCADLP O[C@@H](C[NH2+][C@H]1CC[N@H+](CC2CC2)C1)C1(O)CCCC1 ZINC000905102352 815509871 /nfs/dbraw/zinc/50/98/71/815509871.db2.gz RTXMHUVHARLGGT-KBPBESRZSA-N 2 2 268.401 0.726 20 0 CCADLP O[C@@H](C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C1(O)CCCC1 ZINC000905102352 815509875 /nfs/dbraw/zinc/50/98/75/815509875.db2.gz RTXMHUVHARLGGT-KBPBESRZSA-N 2 2 268.401 0.726 20 0 CCADLP [NH3+]CCC(=O)NCCc1c[nH+]cn1[C@H]1C[C@H]2C[C@H]2C1 ZINC001167908282 812582780 /nfs/dbraw/zinc/58/27/80/812582780.db2.gz CJCYNPUSTBBEEK-PJXYFTJBSA-N 2 2 262.357 0.862 20 0 CCADLP [NH2+]=C(Nc1ccc(=O)n(CC(F)(F)F)n1)SCC[NH3+] ZINC001167915211 812606310 /nfs/dbraw/zinc/60/63/10/812606310.db2.gz FNAHRQKBXXUEEL-UHFFFAOYSA-N 2 2 295.290 0.844 20 0 CCADLP CCN(CC[NH2+]C[C@@H]1CCOC1)C(=O)CCn1cc[nH+]c1 ZINC001268468894 812617776 /nfs/dbraw/zinc/61/77/76/812617776.db2.gz RNTCEOSMXFJOPX-AWEZNQCLSA-N 2 2 294.399 0.748 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](Cc2ccon2)C1 ZINC001028445699 812712243 /nfs/dbraw/zinc/71/22/43/812712243.db2.gz SZZCXUGHFCSGGA-GXTWGEPZSA-N 2 2 292.383 0.707 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](Cc2ccon2)C1 ZINC001028445699 812712247 /nfs/dbraw/zinc/71/22/47/812712247.db2.gz SZZCXUGHFCSGGA-GXTWGEPZSA-N 2 2 292.383 0.707 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](Cc2ccon2)C1 ZINC001028445699 812712254 /nfs/dbraw/zinc/71/22/54/812712254.db2.gz SZZCXUGHFCSGGA-GXTWGEPZSA-N 2 2 292.383 0.707 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccon2)C1 ZINC001028445699 812712260 /nfs/dbraw/zinc/71/22/60/812712260.db2.gz SZZCXUGHFCSGGA-GXTWGEPZSA-N 2 2 292.383 0.707 20 0 CCADLP CCN(CC[NH2+]C[C@H]1CCCOC1)C(=O)Cn1cc[nH+]c1 ZINC001268503022 812719424 /nfs/dbraw/zinc/71/94/24/812719424.db2.gz WGTIDNDARXCREB-CQSZACIVSA-N 2 2 294.399 0.748 20 0 CCADLP Cc1nc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CC[N@@H+](C)C2)co1 ZINC001268627773 812952376 /nfs/dbraw/zinc/95/23/76/812952376.db2.gz XGXWUPLMMLKLQD-ITDFMYJTSA-N 2 2 292.383 0.697 20 0 CCADLP Cc1nc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CC[N@H+](C)C2)co1 ZINC001268627773 812952379 /nfs/dbraw/zinc/95/23/79/812952379.db2.gz XGXWUPLMMLKLQD-ITDFMYJTSA-N 2 2 292.383 0.697 20 0 CCADLP Cc1conc1C[NH2+]C/C=C\CNC(=O)C[NH+]1CCCC1 ZINC001268625037 812953337 /nfs/dbraw/zinc/95/33/37/812953337.db2.gz JYAAPIMVDDSNGC-IHWYPQMZSA-N 2 2 292.383 0.841 20 0 CCADLP O=C(NC[C@@H]1CC[N@@H+](CCO)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001028632861 813026100 /nfs/dbraw/zinc/02/61/00/813026100.db2.gz SSRFVPJVQUGLAN-NSHDSACASA-N 2 2 288.351 0.607 20 0 CCADLP O=C(NC[C@@H]1CC[N@H+](CCO)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001028632861 813026104 /nfs/dbraw/zinc/02/61/04/813026104.db2.gz SSRFVPJVQUGLAN-NSHDSACASA-N 2 2 288.351 0.607 20 0 CCADLP C[C@H](CC(=O)N[C@@H](C)C[N@H+](C)CCO)n1cc[nH+]c1 ZINC001268748814 813060147 /nfs/dbraw/zinc/06/01/47/813060147.db2.gz LSJVLLVJIYZCOW-NWDGAFQWSA-N 2 2 268.361 0.263 20 0 CCADLP C[C@H](CC(=O)N[C@@H](C)C[N@@H+](C)CCO)n1cc[nH+]c1 ZINC001268748814 813060155 /nfs/dbraw/zinc/06/01/55/813060155.db2.gz LSJVLLVJIYZCOW-NWDGAFQWSA-N 2 2 268.361 0.263 20 0 CCADLP CN(CCC[NH2+]CC1CCOCC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001268860575 813119455 /nfs/dbraw/zinc/11/94/55/813119455.db2.gz GNETTZRMSVHGPF-UHFFFAOYSA-N 2 2 294.399 0.817 20 0 CCADLP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]C[C@H](C)OC ZINC001269477970 813385005 /nfs/dbraw/zinc/38/50/05/813385005.db2.gz XLHHVBZPUHGUSL-QWRGUYRKSA-N 2 2 268.361 0.472 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]Cc1ccc(F)cn1 ZINC001126436969 813584435 /nfs/dbraw/zinc/58/44/35/813584435.db2.gz PLALWGVBZSHRMA-UHFFFAOYSA-N 2 2 291.330 0.782 20 0 CCADLP C[C@H](F)CC[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126437179 813587079 /nfs/dbraw/zinc/58/70/79/813587079.db2.gz VAUZLHVGJRNCRC-JTQLQIEISA-N 2 2 256.325 0.796 20 0 CCADLP C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CO)n1cc[nH+]c1)C2 ZINC001270399764 813748775 /nfs/dbraw/zinc/74/87/75/813748775.db2.gz UMTOFRYTMXKJEO-ZFWWWQNUSA-N 2 2 292.383 0.361 20 0 CCADLP C[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CO)n1cc[nH+]c1)C2 ZINC001270399764 813748778 /nfs/dbraw/zinc/74/87/78/813748778.db2.gz UMTOFRYTMXKJEO-ZFWWWQNUSA-N 2 2 292.383 0.361 20 0 CCADLP C[NH+]1CC2(CN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)C2)C1 ZINC001270448173 813768479 /nfs/dbraw/zinc/76/84/79/813768479.db2.gz ZPJPDHOSOXTFHM-SNVBAGLBSA-N 2 2 260.341 0.604 20 0 CCADLP C[NH+]1CC2(C1)CCCN(C(=O)[C@H]1CCc3[nH+]ccn3C1)C2 ZINC001270509973 813792115 /nfs/dbraw/zinc/79/21/15/813792115.db2.gz DEJWSCLVVREZPW-ZDUSSCGKSA-N 2 2 288.395 1.000 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]CC[C@@H]1CCOC1 ZINC001270549942 813806614 /nfs/dbraw/zinc/80/66/14/813806614.db2.gz AKGWOQVDAHDNFL-QWHCGFSZSA-N 2 2 294.399 0.721 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1CCF ZINC001087529665 814070468 /nfs/dbraw/zinc/07/04/68/814070468.db2.gz PKKJQKIREPIHOD-XQQFMLRXSA-N 2 2 287.379 0.256 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC[N@H+]1CCF ZINC001087529665 814070470 /nfs/dbraw/zinc/07/04/70/814070470.db2.gz PKKJQKIREPIHOD-XQQFMLRXSA-N 2 2 287.379 0.256 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC[NH+]1CCF ZINC001087529665 814070474 /nfs/dbraw/zinc/07/04/74/814070474.db2.gz PKKJQKIREPIHOD-XQQFMLRXSA-N 2 2 287.379 0.256 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1CCF ZINC001087529665 814070476 /nfs/dbraw/zinc/07/04/76/814070476.db2.gz PKKJQKIREPIHOD-XQQFMLRXSA-N 2 2 287.379 0.256 20 0 CCADLP COCCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001271426971 814414987 /nfs/dbraw/zinc/41/49/87/814414987.db2.gz OFWIRTXARVTBTD-TZMCWYRMSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001271548739 814473012 /nfs/dbraw/zinc/47/30/12/814473012.db2.gz FTZWVMMQADKTHM-DGCLKSJQSA-N 2 2 294.399 0.734 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCCCC[C@@H]([NH2+]CCO)C1 ZINC001088389953 814665594 /nfs/dbraw/zinc/66/55/94/814665594.db2.gz AUNPAOBENNLHEU-GFCCVEGCSA-N 2 2 280.372 0.305 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1CCF ZINC001088494931 814744962 /nfs/dbraw/zinc/74/49/62/814744962.db2.gz UDKASBJWZCUUIM-WOPDTQHZSA-N 2 2 257.353 0.629 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1CCF ZINC001088494931 814744964 /nfs/dbraw/zinc/74/49/64/814744964.db2.gz UDKASBJWZCUUIM-WOPDTQHZSA-N 2 2 257.353 0.629 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1CCF ZINC001088494931 814744970 /nfs/dbraw/zinc/74/49/70/814744970.db2.gz UDKASBJWZCUUIM-WOPDTQHZSA-N 2 2 257.353 0.629 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1CCF ZINC001088494931 814744975 /nfs/dbraw/zinc/74/49/75/814744975.db2.gz UDKASBJWZCUUIM-WOPDTQHZSA-N 2 2 257.353 0.629 20 0 CCADLP COc1ccc2c(c1)C[C@H](NC(=[NH2+])N1CC[NH+](C)CC1)C2 ZINC001168245508 814921726 /nfs/dbraw/zinc/92/17/26/814921726.db2.gz BAPVGWWJHMLWJG-CQSZACIVSA-N 2 2 288.395 0.934 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)OCCC[NH+]1CCOCC1 ZINC001224870287 815622523 /nfs/dbraw/zinc/62/25/23/815622523.db2.gz OSNZMVMICDCZMQ-CQSZACIVSA-N 2 2 272.389 0.446 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+](CCC3CCCC3)C2)C1 ZINC001030180570 815871209 /nfs/dbraw/zinc/87/12/09/815871209.db2.gz SFWZXAFJVBCLOM-OAHLLOKOSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)NC2C[NH+](CCC3CCCC3)C2)C1 ZINC001030180570 815871214 /nfs/dbraw/zinc/87/12/14/815871214.db2.gz SFWZXAFJVBCLOM-OAHLLOKOSA-N 2 2 295.427 0.698 20 0 CCADLP CCC[NH+]1CC(NC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001030440225 816039707 /nfs/dbraw/zinc/03/97/07/816039707.db2.gz JDPWDWOABPJMHC-LBPRGKRZSA-N 2 2 262.357 0.971 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CC[C@@H]2CCCO2)C1 ZINC001030532470 816089354 /nfs/dbraw/zinc/08/93/54/816089354.db2.gz QBPZTIUTHFGZJS-LSDHHAIUSA-N 2 2 295.427 0.840 20 0 CCADLP Cc1nc(NC[C@@H](O)CNC(=O)CCC[NH+](C)C)cc[nH+]1 ZINC001106075972 816175927 /nfs/dbraw/zinc/17/59/27/816175927.db2.gz MTEOIANFHWYOKU-GFCCVEGCSA-N 2 2 295.387 0.016 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001089005890 816209871 /nfs/dbraw/zinc/20/98/71/816209871.db2.gz DNQHSOZLCJKHOC-MNOVXSKESA-N 2 2 250.346 0.860 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001089005890 816209875 /nfs/dbraw/zinc/20/98/75/816209875.db2.gz DNQHSOZLCJKHOC-MNOVXSKESA-N 2 2 250.346 0.860 20 0 CCADLP CCC[N@@H+]1CCC[C@H](C(=O)NC2C[NH+](CCOC)C2)C1 ZINC001030825396 816319645 /nfs/dbraw/zinc/31/96/45/816319645.db2.gz LEZGZUOZVCYWQJ-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP CCC[N@H+]1CCC[C@H](C(=O)NC2C[NH+](CCOC)C2)C1 ZINC001030825396 816319650 /nfs/dbraw/zinc/31/96/50/816319650.db2.gz LEZGZUOZVCYWQJ-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH+]2CC(NC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC001030891999 816400644 /nfs/dbraw/zinc/40/06/44/816400644.db2.gz YKPJWKXRGVQHPU-DOMZBBRYSA-N 2 2 295.427 0.696 20 0 CCADLP CCC[NH+]1CC2(C1)COCC(=O)N2CCn1cc[nH+]c1 ZINC001272456546 816445272 /nfs/dbraw/zinc/44/52/72/816445272.db2.gz JHNRUCSEZMZJSV-UHFFFAOYSA-N 2 2 278.356 0.206 20 0 CCADLP CC(C)=CC[NH+]1CC(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001030965200 816512621 /nfs/dbraw/zinc/51/26/21/816512621.db2.gz YIHFGPZFABYPFC-GXTWGEPZSA-N 2 2 265.401 0.951 20 0 CCADLP CC(C)=CC[NH+]1CC(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001030965200 816512628 /nfs/dbraw/zinc/51/26/28/816512628.db2.gz YIHFGPZFABYPFC-GXTWGEPZSA-N 2 2 265.401 0.951 20 0 CCADLP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001122017440 816538135 /nfs/dbraw/zinc/53/81/35/816538135.db2.gz MRLMTESGZCWPSO-TUAOUCFPSA-N 2 2 262.357 0.654 20 0 CCADLP O=C(NC1C[NH+](CCCO)C1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001031084194 816633791 /nfs/dbraw/zinc/63/37/91/816633791.db2.gz XUVGZNLKGFLVSV-KBPBESRZSA-N 2 2 281.400 0.186 20 0 CCADLP O=C(NC1C[NH+](CCCO)C1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001031084194 816633794 /nfs/dbraw/zinc/63/37/94/816633794.db2.gz XUVGZNLKGFLVSV-KBPBESRZSA-N 2 2 281.400 0.186 20 0 CCADLP [NH3+][C@@H]1CCC[N@H+](Cc2cn(-c3cnccn3)cn2)CC1 ZINC001205124028 816732034 /nfs/dbraw/zinc/73/20/34/816732034.db2.gz JACQGUHVYJTCIN-GFCCVEGCSA-N 2 2 272.356 0.976 20 0 CCADLP [NH3+][C@@H]1CCC[N@@H+](Cc2cn(-c3cnccn3)cn2)CC1 ZINC001205124028 816732038 /nfs/dbraw/zinc/73/20/38/816732038.db2.gz JACQGUHVYJTCIN-GFCCVEGCSA-N 2 2 272.356 0.976 20 0 CCADLP COc1ccc(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235052847 816797377 /nfs/dbraw/zinc/79/73/77/816797377.db2.gz PXMGPMMPUNQVSY-OAHLLOKOSA-N 2 2 261.369 0.833 20 0 CCADLP COc1ccc(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001235052847 816797379 /nfs/dbraw/zinc/79/73/79/816797379.db2.gz PXMGPMMPUNQVSY-OAHLLOKOSA-N 2 2 261.369 0.833 20 0 CCADLP C[C@@H](CC(=O)N1C[C@@H](C[NH2+]CCO)[C@H](C)C1)n1cc[nH+]c1 ZINC001106710860 816861380 /nfs/dbraw/zinc/86/13/80/816861380.db2.gz ZGWLZGMJIAFQEU-HZSPNIEDSA-N 2 2 294.399 0.511 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC2C[NH+](CCCO)C2)C1 ZINC001031256901 816908648 /nfs/dbraw/zinc/90/86/48/816908648.db2.gz FKAYBSGIQKVJEL-TZMCWYRMSA-N 2 2 283.416 0.290 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001031267341 816915009 /nfs/dbraw/zinc/91/50/09/816915009.db2.gz CEJCVWTWKWYAMF-NSHDSACASA-N 2 2 292.383 0.597 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC(N3CC(F)C3)CC2)O1 ZINC001235890672 816934809 /nfs/dbraw/zinc/93/48/09/816934809.db2.gz GBICAWFGXFJYST-ZDUSSCGKSA-N 2 2 271.380 0.829 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC1C[NH+](C[C@@H]2CC[C@@H](C)O2)C1 ZINC001031391719 817027312 /nfs/dbraw/zinc/02/73/12/817027312.db2.gz LVBRUYUQVHTSDN-RISCZKNCSA-N 2 2 292.383 0.559 20 0 CCADLP OCCC[NH+]1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001236045869 817036549 /nfs/dbraw/zinc/03/65/49/817036549.db2.gz XPODROHIPUUZOA-UHFFFAOYSA-N 2 2 291.399 0.581 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NC2C[NH+](CC3CCC3)C2)C1 ZINC001031414225 817040154 /nfs/dbraw/zinc/04/01/54/817040154.db2.gz HHAOTUHJQHWAAC-AWEZNQCLSA-N 2 2 281.400 0.308 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NC2C[NH+](CC3CCC3)C2)C1 ZINC001031414225 817040163 /nfs/dbraw/zinc/04/01/63/817040163.db2.gz HHAOTUHJQHWAAC-AWEZNQCLSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(OCC(N)=O)cc1 ZINC000382980307 817135575 /nfs/dbraw/zinc/13/55/75/817135575.db2.gz XOJSIUXPYDKTJL-SNVBAGLBSA-N 2 2 251.330 0.330 20 0 CCADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(OCC(N)=O)cc1 ZINC000382980307 817135581 /nfs/dbraw/zinc/13/55/81/817135581.db2.gz XOJSIUXPYDKTJL-SNVBAGLBSA-N 2 2 251.330 0.330 20 0 CCADLP CC(C)[NH+]1CC(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001031779118 817359103 /nfs/dbraw/zinc/35/91/03/817359103.db2.gz KHDWMOSOMFUWLC-ZDUSSCGKSA-N 2 2 276.384 0.902 20 0 CCADLP CC[NH+]1CC(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001031782767 817362464 /nfs/dbraw/zinc/36/24/64/817362464.db2.gz LPOZZQBVYXZPAV-GFCCVEGCSA-N 2 2 262.357 0.513 20 0 CCADLP O=C(NCC1C[NH+](CCCF)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001031782543 817362598 /nfs/dbraw/zinc/36/25/98/817362598.db2.gz GQXOXGZFCKFLDC-CYBMUJFWSA-N 2 2 294.374 0.853 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000353515304 817389477 /nfs/dbraw/zinc/38/94/77/817389477.db2.gz DOEIOBQOZNOPFB-OCCSQVGLSA-N 2 2 291.399 0.717 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000353515304 817389487 /nfs/dbraw/zinc/38/94/87/817389487.db2.gz DOEIOBQOZNOPFB-OCCSQVGLSA-N 2 2 291.399 0.717 20 0 CCADLP CC(C)[C@@](C)(C[NH3+])[NH2+][C@@H]1CCN(C2CCOCC2)C1=O ZINC000447960588 817677983 /nfs/dbraw/zinc/67/79/83/817677983.db2.gz ALCQNHGNNOJCRL-UKRRQHHQSA-N 2 2 283.416 0.729 20 0 CCADLP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001077582654 817727597 /nfs/dbraw/zinc/72/75/97/817727597.db2.gz OBLFKPPCINYYEC-VXGBXAGGSA-N 2 2 281.356 0.136 20 0 CCADLP CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001077582654 817727602 /nfs/dbraw/zinc/72/76/02/817727602.db2.gz OBLFKPPCINYYEC-VXGBXAGGSA-N 2 2 281.356 0.136 20 0 CCADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCC[NH2+]CC2CC2)[nH]n1 ZINC001127772460 817852508 /nfs/dbraw/zinc/85/25/08/817852508.db2.gz IYCYWTHMMWHGOL-AWEZNQCLSA-N 2 2 291.399 0.906 20 0 CCADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)NCC[NH2+]CC2CC2)[nH]n1 ZINC001127772460 817852515 /nfs/dbraw/zinc/85/25/15/817852515.db2.gz IYCYWTHMMWHGOL-AWEZNQCLSA-N 2 2 291.399 0.906 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CC2)C1 ZINC001032331957 817887823 /nfs/dbraw/zinc/88/78/23/817887823.db2.gz NKFLOLGLPJKUMF-MELADBBJSA-N 2 2 279.384 0.012 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CC2)C1 ZINC001032331957 817887827 /nfs/dbraw/zinc/88/78/27/817887827.db2.gz NKFLOLGLPJKUMF-MELADBBJSA-N 2 2 279.384 0.012 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CC2)C1 ZINC001032331957 817887834 /nfs/dbraw/zinc/88/78/34/817887834.db2.gz NKFLOLGLPJKUMF-MELADBBJSA-N 2 2 279.384 0.012 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC2CC2)C1 ZINC001032331957 817887842 /nfs/dbraw/zinc/88/78/42/817887842.db2.gz NKFLOLGLPJKUMF-MELADBBJSA-N 2 2 279.384 0.012 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@@H]([NH2+]CCO)C12CCC2 ZINC001078796423 818051183 /nfs/dbraw/zinc/05/11/83/818051183.db2.gz ZVPFDVLLCSRUFM-CHWSQXEVSA-N 2 2 292.383 0.270 20 0 CCADLP CC[NH2+][C@@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001078825600 818057607 /nfs/dbraw/zinc/05/76/07/818057607.db2.gz DMDQBBNORVAJBS-VXGBXAGGSA-N 2 2 262.357 0.920 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N(C)C1C[NH+](C[C@H]2CCOC2)C1 ZINC001044300360 818347837 /nfs/dbraw/zinc/34/78/37/818347837.db2.gz RRUYRCCSCJUVPT-CYBMUJFWSA-N 2 2 292.383 0.371 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc3c(n2)COC3)CC1 ZINC001168735927 818540395 /nfs/dbraw/zinc/54/03/95/818540395.db2.gz WKESSEDPCTWTJH-UHFFFAOYSA-N 2 2 261.329 0.706 20 0 CCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001033453733 818783071 /nfs/dbraw/zinc/78/30/71/818783071.db2.gz ZEHPRWCJGTWKMS-CYBMUJFWSA-N 2 2 262.357 0.895 20 0 CCADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001033453733 818783078 /nfs/dbraw/zinc/78/30/78/818783078.db2.gz ZEHPRWCJGTWKMS-CYBMUJFWSA-N 2 2 262.357 0.895 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CC[N@H+](CCCO)C1 ZINC001033616535 818853088 /nfs/dbraw/zinc/85/30/88/818853088.db2.gz IWUUUIFKONAQKS-LBPRGKRZSA-N 2 2 280.372 0.176 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033616535 818853096 /nfs/dbraw/zinc/85/30/96/818853096.db2.gz IWUUUIFKONAQKS-LBPRGKRZSA-N 2 2 280.372 0.176 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033703535 818892310 /nfs/dbraw/zinc/89/23/10/818892310.db2.gz GHIRJHFOTIFNOC-STQMWFEESA-N 2 2 280.372 0.451 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033703535 818892315 /nfs/dbraw/zinc/89/23/15/818892315.db2.gz GHIRJHFOTIFNOC-STQMWFEESA-N 2 2 280.372 0.451 20 0 CCADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCF)C1 ZINC001033773035 818927002 /nfs/dbraw/zinc/92/70/02/818927002.db2.gz CPKIMOIMCSMDEE-OLZOCXBDSA-N 2 2 271.380 0.973 20 0 CCADLP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](CCF)C1 ZINC001033773035 818927012 /nfs/dbraw/zinc/92/70/12/818927012.db2.gz CPKIMOIMCSMDEE-OLZOCXBDSA-N 2 2 271.380 0.973 20 0 CCADLP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CCF)C1 ZINC001033773035 818927018 /nfs/dbraw/zinc/92/70/18/818927018.db2.gz CPKIMOIMCSMDEE-OLZOCXBDSA-N 2 2 271.380 0.973 20 0 CCADLP CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CCF)C1 ZINC001033773035 818927023 /nfs/dbraw/zinc/92/70/23/818927023.db2.gz CPKIMOIMCSMDEE-OLZOCXBDSA-N 2 2 271.380 0.973 20 0 CCADLP Cc1[nH+]cn(-c2ccc(-n3cnc(C[NH3+])n3)nn2)c1C ZINC001168754027 819122168 /nfs/dbraw/zinc/12/21/68/819122168.db2.gz LFRJTQXPRHNOOR-UHFFFAOYSA-N 2 2 270.300 0.319 20 0 CCADLP COC[C@@H](C)[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128972846 819248213 /nfs/dbraw/zinc/24/82/13/819248213.db2.gz KEKMGYNRXZDMIV-SNVBAGLBSA-N 2 2 254.334 0.083 20 0 CCADLP COC[C@@H](C)[NH2+]CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001128972846 819248219 /nfs/dbraw/zinc/24/82/19/819248219.db2.gz KEKMGYNRXZDMIV-SNVBAGLBSA-N 2 2 254.334 0.083 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](CCN2CCOC2=O)CC[C@@H]1C(F)(F)F ZINC000706027882 819597131 /nfs/dbraw/zinc/59/71/31/819597131.db2.gz MITJZNKRIGMHNQ-ZJUUUORDSA-N 2 2 295.305 0.898 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](CCN2CCOC2=O)CC[C@@H]1C(F)(F)F ZINC000706027882 819597133 /nfs/dbraw/zinc/59/71/33/819597133.db2.gz MITJZNKRIGMHNQ-ZJUUUORDSA-N 2 2 295.305 0.898 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]CCO)[C@H](C)C1 ZINC001036280184 819718480 /nfs/dbraw/zinc/71/84/80/819718480.db2.gz HLQDYARRZVJUQB-PWSUYJOCSA-N 2 2 280.372 0.080 20 0 CCADLP CC(C)N1CC[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1=O ZINC000708711227 819777442 /nfs/dbraw/zinc/77/74/42/819777442.db2.gz GILLKHJDZCCWQG-VZKILSJISA-N 2 2 263.385 0.582 20 0 CCADLP Cc1[nH]c(CNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)[nH+]c1C ZINC000709056476 819785675 /nfs/dbraw/zinc/78/56/75/819785675.db2.gz JJENWGKFLQEXFL-CHWSQXEVSA-N 2 2 264.373 0.979 20 0 CCADLP Cc1[nH]c(CNC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)[nH+]c1C ZINC000709056476 819785682 /nfs/dbraw/zinc/78/56/82/819785682.db2.gz JJENWGKFLQEXFL-CHWSQXEVSA-N 2 2 264.373 0.979 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711565403 820054254 /nfs/dbraw/zinc/05/42/54/820054254.db2.gz FXJWXEQAXPJGEM-FRRDWIJNSA-N 2 2 274.430 0.220 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711565403 820054265 /nfs/dbraw/zinc/05/42/65/820054265.db2.gz FXJWXEQAXPJGEM-FRRDWIJNSA-N 2 2 274.430 0.220 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711565403 820054274 /nfs/dbraw/zinc/05/42/74/820054274.db2.gz FXJWXEQAXPJGEM-FRRDWIJNSA-N 2 2 274.430 0.220 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711565403 820054284 /nfs/dbraw/zinc/05/42/84/820054284.db2.gz FXJWXEQAXPJGEM-FRRDWIJNSA-N 2 2 274.430 0.220 20 0 CCADLP COCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001080782224 820637297 /nfs/dbraw/zinc/63/72/97/820637297.db2.gz APVJNYHKLWLVAO-DGCLKSJQSA-N 2 2 280.372 0.046 20 0 CCADLP CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H](OC)C1 ZINC001081871025 820849100 /nfs/dbraw/zinc/84/91/00/820849100.db2.gz VCBCMSJIIUNUQY-IACUBPJLSA-N 2 2 292.383 0.281 20 0 CCADLP CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H](OC)C1 ZINC001081871025 820849113 /nfs/dbraw/zinc/84/91/13/820849113.db2.gz VCBCMSJIIUNUQY-IACUBPJLSA-N 2 2 292.383 0.281 20 0 CCADLP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001082673968 821017015 /nfs/dbraw/zinc/01/70/15/821017015.db2.gz ZLXBJTPWGNCNLD-FRRDWIJNSA-N 2 2 280.372 0.091 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)CN1C[C@@H]2CCO[C@@H]2C1=O ZINC001119326408 821145230 /nfs/dbraw/zinc/14/52/30/821145230.db2.gz MGQUVCQEZLATKQ-STQMWFEESA-N 2 2 278.356 0.410 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)CN1C[C@@H]2CCO[C@@H]2C1=O ZINC001119326408 821145232 /nfs/dbraw/zinc/14/52/32/821145232.db2.gz MGQUVCQEZLATKQ-STQMWFEESA-N 2 2 278.356 0.410 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CCF)C[C@H]21 ZINC001084455180 821291284 /nfs/dbraw/zinc/29/12/84/821291284.db2.gz LNIDYZLFOBBWKK-MGPQQGTHSA-N 2 2 283.391 0.973 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CCF)C[C@H]21 ZINC001084455180 821291292 /nfs/dbraw/zinc/29/12/92/821291292.db2.gz LNIDYZLFOBBWKK-MGPQQGTHSA-N 2 2 283.391 0.973 20 0 CCADLP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CCF)C[C@H]21 ZINC001084455180 821291301 /nfs/dbraw/zinc/29/13/01/821291301.db2.gz LNIDYZLFOBBWKK-MGPQQGTHSA-N 2 2 283.391 0.973 20 0 CCADLP C[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCF)C[C@H]21 ZINC001084455180 821291310 /nfs/dbraw/zinc/29/13/10/821291310.db2.gz LNIDYZLFOBBWKK-MGPQQGTHSA-N 2 2 283.391 0.973 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001084866751 821414924 /nfs/dbraw/zinc/41/49/24/821414924.db2.gz GEOAPJJLMXBVST-CHWSQXEVSA-N 2 2 262.357 0.824 20 0 CCADLP CC(C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001084866751 821414929 /nfs/dbraw/zinc/41/49/29/821414929.db2.gz GEOAPJJLMXBVST-CHWSQXEVSA-N 2 2 262.357 0.824 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1[NH2+]CCF ZINC001085438711 821689277 /nfs/dbraw/zinc/68/92/77/821689277.db2.gz CAHADLHBUNAZNT-VXGBXAGGSA-N 2 2 268.336 0.870 20 0 CCADLP CN(C[C@H]1CC[N@@H+]1CCF)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001085597813 821843239 /nfs/dbraw/zinc/84/32/39/821843239.db2.gz GUTMZPDOZULBIY-KGLIPLIRSA-N 2 2 283.391 0.830 20 0 CCADLP CN(C[C@H]1CC[N@H+]1CCF)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001085597813 821843247 /nfs/dbraw/zinc/84/32/47/821843247.db2.gz GUTMZPDOZULBIY-KGLIPLIRSA-N 2 2 283.391 0.830 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)N(C)C[C@@H]1CC[N@@H+]1CCO ZINC001085930203 822026126 /nfs/dbraw/zinc/02/61/26/822026126.db2.gz QLLCEKHATGCQJN-LBPRGKRZSA-N 2 2 292.383 0.286 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)N(C)C[C@@H]1CC[N@H+]1CCO ZINC001085930203 822026136 /nfs/dbraw/zinc/02/61/36/822026136.db2.gz QLLCEKHATGCQJN-LBPRGKRZSA-N 2 2 292.383 0.286 20 0 CCADLP O=C(NC[C@H]1C[C@H]([NH2+]CCF)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001086406182 822241119 /nfs/dbraw/zinc/24/11/19/822241119.db2.gz CQTNZSKGEKGSCL-JHJVBQTASA-N 2 2 294.374 0.899 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@@H](C2CC2)[NH+](C)C)[nH]1 ZINC001129444527 837506513 /nfs/dbraw/zinc/50/65/13/837506513.db2.gz UTCHLXDUEYBZSZ-BXKDBHETSA-N 2 2 294.403 0.220 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)[C@H](C2CC2)[NH+](C)C)o1 ZINC001129444797 837507638 /nfs/dbraw/zinc/50/76/38/837507638.db2.gz XZQZFKGPUITGAP-CABZTGNLSA-N 2 2 295.387 0.485 20 0 CCADLP C[C@@H](CCCC[NH2+]CCO)NC(=O)CCc1[nH]cc[nH+]1 ZINC001170483966 837735667 /nfs/dbraw/zinc/73/56/67/837735667.db2.gz SDBQWRJLJGIIMX-LBPRGKRZSA-N 2 2 282.388 0.599 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)[C@@H]2CCCC[N@H+]2C)co1 ZINC001130300393 837758276 /nfs/dbraw/zinc/75/82/76/837758276.db2.gz OCJODERDNYMOQO-ZDUSSCGKSA-N 2 2 280.372 0.673 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)[C@@H]2CCCC[N@@H+]2C)co1 ZINC001130300393 837758287 /nfs/dbraw/zinc/75/82/87/837758287.db2.gz OCJODERDNYMOQO-ZDUSSCGKSA-N 2 2 280.372 0.673 20 0 CCADLP C[C@@H](O)CCC[NH2+]CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001130405127 837786068 /nfs/dbraw/zinc/78/60/68/837786068.db2.gz XWRLRIXCNOCODV-OLZOCXBDSA-N 2 2 294.399 0.312 20 0 CCADLP CC(C)[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130481507 837806423 /nfs/dbraw/zinc/80/64/23/837806423.db2.gz VITAZTHFXVVOPT-NSHDSACASA-N 2 2 250.346 0.560 20 0 CCADLP CC[C@@H](C[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)OC ZINC001130485042 837807337 /nfs/dbraw/zinc/80/73/37/837807337.db2.gz YZPLQBNSVWEIRW-OLZOCXBDSA-N 2 2 294.399 0.576 20 0 CCADLP CC(C)[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130484442 837807956 /nfs/dbraw/zinc/80/79/56/837807956.db2.gz NIQKPOVOOSQWAD-NSHDSACASA-N 2 2 250.346 0.560 20 0 CCADLP O=C(NCC[NH2+]C[C@@H]1CCOC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001130488098 837811883 /nfs/dbraw/zinc/81/18/83/837811883.db2.gz MVPIINFIXFNULV-STQMWFEESA-N 2 2 292.383 0.188 20 0 CCADLP Cc1cc2cc[nH]c2c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169072245 836125568 /nfs/dbraw/zinc/12/55/68/836125568.db2.gz PVWFGKDIFFEZJU-LLVKDONJSA-N 2 2 271.324 0.919 20 0 CCADLP CCCc1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ncn1 ZINC001169072687 836125575 /nfs/dbraw/zinc/12/55/75/836125575.db2.gz RUIOSWYNCQHSGS-SNVBAGLBSA-N 2 2 261.329 0.477 20 0 CCADLP CC(C)Oc1ccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nn1 ZINC001169072315 836125961 /nfs/dbraw/zinc/12/59/61/836125961.db2.gz QKIGYNBHFBZLLK-SNVBAGLBSA-N 2 2 277.328 0.312 20 0 CCADLP Cn1ccc2nc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)cnc21 ZINC001169073478 836126848 /nfs/dbraw/zinc/12/68/48/836126848.db2.gz ISXMEYAWKZMENS-SECBINFHSA-N 2 2 272.312 0.016 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc(OC(F)F)ccn1 ZINC001169075572 836128834 /nfs/dbraw/zinc/12/88/34/836128834.db2.gz IRAXEDZRGZMWKE-MRVPVSSYSA-N 2 2 284.266 0.731 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](Nc2ccc3[nH]c(N)[nH+]c3c2)C[NH2+]1 ZINC001169132558 836148742 /nfs/dbraw/zinc/14/87/42/836148742.db2.gz QMFROVAJSLJSPT-KCJUWKMLSA-N 2 2 275.312 0.461 20 0 CCADLP COC[C@@H]1C[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CCO1 ZINC001169155262 836156479 /nfs/dbraw/zinc/15/64/79/836156479.db2.gz LVGINDJLGQMJCF-CRWXNKLISA-N 2 2 254.374 0.959 20 0 CCADLP COC[C@@H]1C[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CCO1 ZINC001169155262 836156482 /nfs/dbraw/zinc/15/64/82/836156482.db2.gz LVGINDJLGQMJCF-CRWXNKLISA-N 2 2 254.374 0.959 20 0 CCADLP COC[C@@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCO1 ZINC001169155262 836156483 /nfs/dbraw/zinc/15/64/83/836156483.db2.gz LVGINDJLGQMJCF-CRWXNKLISA-N 2 2 254.374 0.959 20 0 CCADLP COC[C@@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCO1 ZINC001169155262 836156484 /nfs/dbraw/zinc/15/64/84/836156484.db2.gz LVGINDJLGQMJCF-CRWXNKLISA-N 2 2 254.374 0.959 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]CCC[C@@H]1CCOC1 ZINC001169211873 836160482 /nfs/dbraw/zinc/16/04/82/836160482.db2.gz LQGKSFDTQJFTQQ-CYBMUJFWSA-N 2 2 294.399 0.865 20 0 CCADLP COCCCC[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169212114 836160647 /nfs/dbraw/zinc/16/06/47/836160647.db2.gz PMIVSRFNFAGLAP-UHFFFAOYSA-N 2 2 268.361 0.475 20 0 CCADLP Cc1cc(NC[C@H]2COCC[N@H+]2C)nc2c1C[NH2+]CC2 ZINC001169650236 836404005 /nfs/dbraw/zinc/40/40/05/836404005.db2.gz XDSILNFMTOWBTR-LBPRGKRZSA-N 2 2 276.384 0.778 20 0 CCADLP Cc1cc(NC[C@H]2COCC[N@@H+]2C)nc2c1C[NH2+]CC2 ZINC001169650236 836404009 /nfs/dbraw/zinc/40/40/09/836404009.db2.gz XDSILNFMTOWBTR-LBPRGKRZSA-N 2 2 276.384 0.778 20 0 CCADLP C[NH+](C)Cc1ccc(NC[C@@H]2COCC[N@@H+]2C)nc1 ZINC001169651873 836407021 /nfs/dbraw/zinc/40/70/21/836407021.db2.gz ARZDAARLSLRGST-CYBMUJFWSA-N 2 2 264.373 0.886 20 0 CCADLP C[NH+](C)Cc1ccc(NC[C@@H]2COCC[N@H+]2C)nc1 ZINC001169651873 836407026 /nfs/dbraw/zinc/40/70/26/836407026.db2.gz ARZDAARLSLRGST-CYBMUJFWSA-N 2 2 264.373 0.886 20 0 CCADLP C[NH+]1CCC(CO)([NH2+][C@@H]2CCCC3(C2)OCCO3)CC1 ZINC001169936327 836482360 /nfs/dbraw/zinc/48/23/60/836482360.db2.gz QLNOZGQLCIBPEK-CYBMUJFWSA-N 2 2 284.400 0.718 20 0 CCADLP CC1(C)CC([N@H+](CC[NH3+])CCO)CC(C)(C)N1O ZINC001169974775 836590806 /nfs/dbraw/zinc/59/08/06/836590806.db2.gz MHZJUKDJRDKRGD-UHFFFAOYSA-N 2 2 259.394 0.650 20 0 CCADLP CC1(C)CC([N@@H+](CC[NH3+])CCO)CC(C)(C)N1O ZINC001169974775 836590816 /nfs/dbraw/zinc/59/08/16/836590816.db2.gz MHZJUKDJRDKRGD-UHFFFAOYSA-N 2 2 259.394 0.650 20 0 CCADLP Cc1[nH+]ccn1-c1cncc(NC[C@@H]2COCC[NH2+]2)n1 ZINC001170041433 836770554 /nfs/dbraw/zinc/77/05/54/836770554.db2.gz IPXHWEPSOKYHPA-LLVKDONJSA-N 2 2 274.328 0.371 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@H](O)C1 ZINC001100138698 836775071 /nfs/dbraw/zinc/77/50/71/836775071.db2.gz KRCYKJXKSSTWHR-ZIAGYGMSSA-N 2 2 294.399 0.625 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@H](O)C1 ZINC001100138698 836775076 /nfs/dbraw/zinc/77/50/76/836775076.db2.gz KRCYKJXKSSTWHR-ZIAGYGMSSA-N 2 2 294.399 0.625 20 0 CCADLP CC[NH+](CC)C[C@@H](F)C(=O)N1CC[NH+](CCOC)CC1 ZINC001112908869 836961804 /nfs/dbraw/zinc/96/18/04/836961804.db2.gz HNHYJSQLNVRLNS-CYBMUJFWSA-N 2 2 289.395 0.457 20 0 CCADLP COCCCC[NH+]1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001113172936 837045615 /nfs/dbraw/zinc/04/56/15/837045615.db2.gz YJJWKNWFVROIEH-UHFFFAOYSA-N 2 2 294.399 0.844 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC001113570333 837162305 /nfs/dbraw/zinc/16/23/05/837162305.db2.gz PQYMZIOUIQNGJP-UHFFFAOYSA-N 2 2 293.415 0.369 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[NH+](CCn2cccn2)CC1 ZINC001113570333 837162307 /nfs/dbraw/zinc/16/23/07/837162307.db2.gz PQYMZIOUIQNGJP-UHFFFAOYSA-N 2 2 293.415 0.369 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2[C@H](CC2(F)F)C1 ZINC001158192833 837968917 /nfs/dbraw/zinc/96/89/17/837968917.db2.gz GQOSXDQPWDLJNE-JEZHCXPESA-N 2 2 270.283 0.393 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1cc(C)ncn1 ZINC001131380638 838079427 /nfs/dbraw/zinc/07/94/27/838079427.db2.gz UTSRDEDFCMONFA-UHFFFAOYSA-N 2 2 288.355 0.196 20 0 CCADLP C[C@@H](Nc1cc(N2CCCC2)nc[nH+]1)[C@@H]1C[NH2+]CCO1 ZINC001170563611 838113561 /nfs/dbraw/zinc/11/35/61/838113561.db2.gz MSJUDURQWJZKLG-NEPJUHHUSA-N 2 2 277.372 0.866 20 0 CCADLP C[C@@H](Nc1cc(N2CCCC2)[nH+]cn1)[C@@H]1C[NH2+]CCO1 ZINC001170563611 838113563 /nfs/dbraw/zinc/11/35/63/838113563.db2.gz MSJUDURQWJZKLG-NEPJUHHUSA-N 2 2 277.372 0.866 20 0 CCADLP O=C(NCC[NH2+]Cc1cnon1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790707 838218938 /nfs/dbraw/zinc/21/89/38/838218938.db2.gz STAOJCOBKQMTCF-CYBMUJFWSA-N 2 2 293.371 0.150 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]C[C@@H]1C[C@@]12CCOC2 ZINC001132082381 838314321 /nfs/dbraw/zinc/31/43/21/838314321.db2.gz NCRVHHTYLXPWEV-DZGCQCFKSA-N 2 2 292.383 0.406 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[N@@H+]1CCO ZINC001132222445 838339674 /nfs/dbraw/zinc/33/96/74/838339674.db2.gz XZCFWWIKTMDQOR-CHWSQXEVSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[N@H+]1CCO ZINC001132222445 838339678 /nfs/dbraw/zinc/33/96/78/838339678.db2.gz XZCFWWIKTMDQOR-CHWSQXEVSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@H]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C[N@H+]1CCO ZINC001132456554 838402278 /nfs/dbraw/zinc/40/22/78/838402278.db2.gz GLWTXUOZQFKKPN-QWHCGFSZSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@H]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C[N@@H+]1CCO ZINC001132456554 838402273 /nfs/dbraw/zinc/40/22/73/838402273.db2.gz GLWTXUOZQFKKPN-QWHCGFSZSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C[NH2+]CCCO ZINC001133135858 838559446 /nfs/dbraw/zinc/55/94/46/838559446.db2.gz YMSHNIBMHOGCSF-OLZOCXBDSA-N 2 2 294.399 0.409 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]CCNC(=O)CC[NH+](C)C)n1 ZINC001133294519 838592791 /nfs/dbraw/zinc/59/27/91/838592791.db2.gz LZNLTCIIBIRFFO-SECBINFHSA-N 2 2 269.349 0.097 20 0 CCADLP CC(C)OCC[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001133668220 838692288 /nfs/dbraw/zinc/69/22/88/838692288.db2.gz STSCZZYPEBLSNY-LBPRGKRZSA-N 2 2 294.399 0.960 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C[NH2+]CCO ZINC001185214844 844364221 /nfs/dbraw/zinc/36/42/21/844364221.db2.gz IMUYYWMZYPDKOT-NEPJUHHUSA-N 2 2 280.372 0.019 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C)[nH]1 ZINC001133906235 838771041 /nfs/dbraw/zinc/77/10/41/838771041.db2.gz RNKINHVKZPDBGS-UHFFFAOYSA-N 2 2 296.419 0.297 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C)[nH]1 ZINC001133906235 838771049 /nfs/dbraw/zinc/77/10/49/838771049.db2.gz RNKINHVKZPDBGS-UHFFFAOYSA-N 2 2 296.419 0.297 20 0 CCADLP CO[C@H](C)C[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001134498472 838993920 /nfs/dbraw/zinc/99/39/20/838993920.db2.gz HVQXITSJBYJWLR-NWDGAFQWSA-N 2 2 268.361 0.575 20 0 CCADLP C[C@H](CC(=O)NCC[NH2+]CC[C@@H]1CCOC1)n1cc[nH+]c1 ZINC001134499220 838994921 /nfs/dbraw/zinc/99/49/21/838994921.db2.gz YRIIWDJPFOWWJE-ZIAGYGMSSA-N 2 2 294.399 0.967 20 0 CCADLP C[C@H](C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1)[NH2+]CCO ZINC001134549557 839004126 /nfs/dbraw/zinc/00/41/26/839004126.db2.gz TXEJYTKBOCVMNJ-MNOVXSKESA-N 2 2 268.361 0.208 20 0 CCADLP C[C@H](C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1)[NH2+]CCO ZINC001134549557 839004140 /nfs/dbraw/zinc/00/41/40/839004140.db2.gz TXEJYTKBOCVMNJ-MNOVXSKESA-N 2 2 268.361 0.208 20 0 CCADLP COCCCC[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001135071177 839150125 /nfs/dbraw/zinc/15/01/25/839150125.db2.gz AXDMLNFVLWRIQV-LBPRGKRZSA-N 2 2 282.388 0.721 20 0 CCADLP COCCCC[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001135071177 839150127 /nfs/dbraw/zinc/15/01/27/839150127.db2.gz AXDMLNFVLWRIQV-LBPRGKRZSA-N 2 2 282.388 0.721 20 0 CCADLP COC[C@H](C)[NH2+]CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001135072516 839151358 /nfs/dbraw/zinc/15/13/58/839151358.db2.gz YXQONPXALFFAHW-MNOVXSKESA-N 2 2 268.361 0.329 20 0 CCADLP COC[C@H](C)[NH2+]CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001135072516 839151363 /nfs/dbraw/zinc/15/13/63/839151363.db2.gz YXQONPXALFFAHW-MNOVXSKESA-N 2 2 268.361 0.329 20 0 CCADLP CO[C@@H](C)C[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001135080610 839158860 /nfs/dbraw/zinc/15/88/60/839158860.db2.gz YBBBUOKCINARFQ-QWRGUYRKSA-N 2 2 268.361 0.329 20 0 CCADLP CO[C@@H](C)C[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001135080610 839158864 /nfs/dbraw/zinc/15/88/64/839158864.db2.gz YBBBUOKCINARFQ-QWRGUYRKSA-N 2 2 268.361 0.329 20 0 CCADLP Cc1cccn2cc(CC(=O)NCC[NH2+]C[C@H](C)O)[nH+]c12 ZINC001135310151 839207100 /nfs/dbraw/zinc/20/71/00/839207100.db2.gz UTJFXCHVDKPAPA-LBPRGKRZSA-N 2 2 290.367 0.272 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[NH2+][C@@H](C)c1ncccn1 ZINC001135511713 839281980 /nfs/dbraw/zinc/28/19/80/839281980.db2.gz ZTRUXYMSQVFMRA-LBPRGKRZSA-N 2 2 279.388 0.585 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)C[NH+]2CCC(C)CC2)o1 ZINC001135707168 839367691 /nfs/dbraw/zinc/36/76/91/839367691.db2.gz YCPVOLHZOBJJGO-UHFFFAOYSA-N 2 2 294.399 0.921 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]C[C@H]1C[C@@]12CCOC2 ZINC001135758095 839394318 /nfs/dbraw/zinc/39/43/18/839394318.db2.gz YIUHJJUHSRPQFB-BXUZGUMPSA-N 2 2 278.356 0.085 20 0 CCADLP C[C@H](C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1)[NH2+]CCCO ZINC001135799244 839418512 /nfs/dbraw/zinc/41/85/12/839418512.db2.gz UHHLBKAMWXATNG-MNOVXSKESA-N 2 2 268.361 0.208 20 0 CCADLP COCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001135945188 839475772 /nfs/dbraw/zinc/47/57/72/839475772.db2.gz WGTAHLVBLLSRRV-RYUDHWBXSA-N 2 2 282.388 0.482 20 0 CCADLP C[C@@H]([NH3+])CCNc1[nH+]cnc2[nH]cc([S@@](C)=O)c21 ZINC001170887370 839529397 /nfs/dbraw/zinc/52/93/97/839529397.db2.gz VTCJAELEBKAZBV-LWESTGQBSA-N 2 2 267.358 0.796 20 0 CCADLP COc1ccc2[nH+]ccc(N[C@H]([NH3+])CCC[NH3+])c2n1 ZINC001170900847 839548775 /nfs/dbraw/zinc/54/87/75/839548775.db2.gz YQUILXLQRWIHDE-NSHDSACASA-N 3 2 261.329 0.496 20 0 CCADLP CCCC[C@@H](O)CN1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001246021851 839582725 /nfs/dbraw/zinc/58/27/25/839582725.db2.gz IDSUCZOEYGALTD-RDBSUJKOSA-N 2 2 255.406 0.563 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246020839 839583362 /nfs/dbraw/zinc/58/33/62/839583362.db2.gz MJNNBOUVTLSGJZ-UONOGXRCSA-N 3 2 257.422 0.892 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246020839 839583366 /nfs/dbraw/zinc/58/33/66/839583366.db2.gz MJNNBOUVTLSGJZ-UONOGXRCSA-N 3 2 257.422 0.892 20 0 CCADLP COc1cccc(OC[C@@H](O)C[NH+]2CC(C)(C[NH3+])C2)c1 ZINC001246035945 839587386 /nfs/dbraw/zinc/58/73/86/839587386.db2.gz QPQNUDWSVWIDMO-LBPRGKRZSA-N 2 2 280.368 0.716 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]1C[NH+](C)C ZINC001136605667 839673069 /nfs/dbraw/zinc/67/30/69/839673069.db2.gz XFPOJRCBIZQETQ-NSHDSACASA-N 2 2 250.346 0.515 20 0 CCADLP CCOC(=O)CN(CC[NH3+])c1ccc2[nH+]cn(C)c2c1 ZINC001170994746 839676488 /nfs/dbraw/zinc/67/64/88/839676488.db2.gz ZYFPQFXVTUUFFU-UHFFFAOYSA-N 2 2 276.340 0.902 20 0 CCADLP COCC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001185789116 844460429 /nfs/dbraw/zinc/46/04/29/844460429.db2.gz SDXBUSISEYLZAF-UONOGXRCSA-N 2 2 294.399 0.604 20 0 CCADLP COCC[NH+]1CCC([NH2+][C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC001246358380 839818268 /nfs/dbraw/zinc/81/82/68/839818268.db2.gz DTZCPDNTTLIPLT-JSGCOSHPSA-N 3 2 255.406 0.827 20 0 CCADLP C1C[N@@H+](C2CC[NH2+]CC2)C[C@H]1N[C@@H]1CCC[NH2+]C1 ZINC001246371309 839825037 /nfs/dbraw/zinc/82/50/37/839825037.db2.gz JFFDJGFCAZEJEO-OLZOCXBDSA-N 3 2 252.406 0.154 20 0 CCADLP C1C[N@H+](C2CC[NH2+]CC2)C[C@H]1N[C@@H]1CCC[NH2+]C1 ZINC001246371309 839825046 /nfs/dbraw/zinc/82/50/46/839825046.db2.gz JFFDJGFCAZEJEO-OLZOCXBDSA-N 3 2 252.406 0.154 20 0 CCADLP COCCCCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001185926565 844475601 /nfs/dbraw/zinc/47/56/01/844475601.db2.gz XGFGYHFJKHHXBY-CYBMUJFWSA-N 2 2 294.399 0.959 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)CC2CC[NH+](C)CC2)c1 ZINC001143360126 839862834 /nfs/dbraw/zinc/86/28/34/839862834.db2.gz XZHWQVWBHGMLQW-UHFFFAOYSA-N 2 2 264.373 0.811 20 0 CCADLP [NH3+][C@@H]1C[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)C[C@H]1O ZINC001246560022 840021753 /nfs/dbraw/zinc/02/17/53/840021753.db2.gz SOWQVJLMNKQDQK-CHWSQXEVSA-N 3 2 253.390 0.303 20 0 CCADLP [NH3+][C@@H]1C[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C[C@H]1O ZINC001246560022 840021759 /nfs/dbraw/zinc/02/17/59/840021759.db2.gz SOWQVJLMNKQDQK-CHWSQXEVSA-N 3 2 253.390 0.303 20 0 CCADLP CN(CCc1ccc(F)cc1)C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001160596562 840039212 /nfs/dbraw/zinc/03/92/12/840039212.db2.gz IXKWBTTXZFHSKR-STQMWFEESA-N 2 2 265.332 0.373 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2CCC(=O)C(F)(F)C2)cc1 ZINC001160662898 840111366 /nfs/dbraw/zinc/11/13/66/840111366.db2.gz FSQFIFQVSAFYSQ-LLVKDONJSA-N 2 2 297.305 0.695 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]CCOCC1CC1 ZINC001171245171 840187816 /nfs/dbraw/zinc/18/78/16/840187816.db2.gz YFEMSHMCEBSSJN-UHFFFAOYSA-N 2 2 294.399 0.485 20 0 CCADLP C[C@@H](C[C@H](C)[NH2+]CCCO)NC(=O)Cn1cc[nH+]c1 ZINC001146770194 840360401 /nfs/dbraw/zinc/36/04/01/840360401.db2.gz HNIIHXOPIXYKMS-RYUDHWBXSA-N 2 2 268.361 0.138 20 0 CCADLP CC[NH+]1CCC(C(=O)NCc2c[nH+]cn2CCOC)CC1 ZINC001146786499 840366809 /nfs/dbraw/zinc/36/68/09/840366809.db2.gz BLROWGCBFDVONK-UHFFFAOYSA-N 2 2 294.399 0.878 20 0 CCADLP CC[NH+]1CCC(C(=O)NCCc2[nH+]ccn2C)CC1 ZINC001146792769 840380565 /nfs/dbraw/zinc/38/05/65/840380565.db2.gz MUHPHXYRCCANAA-UHFFFAOYSA-N 2 2 264.373 0.811 20 0 CCADLP CCC[NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001147615284 840649505 /nfs/dbraw/zinc/64/95/05/840649505.db2.gz PRFKTKQCYZREQR-UHFFFAOYSA-N 2 2 273.340 0.997 20 0 CCADLP C[C@@H]1C[C@H](N2CC([N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)CC[NH2+]1 ZINC001246985543 840677429 /nfs/dbraw/zinc/67/74/29/840677429.db2.gz CQMNVFRRGZNNNF-YIYPIFLZSA-N 2 2 267.417 0.920 20 0 CCADLP C[C@@H]1C[C@H](N2CC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)CC[NH2+]1 ZINC001246985543 840677435 /nfs/dbraw/zinc/67/74/35/840677435.db2.gz CQMNVFRRGZNNNF-YIYPIFLZSA-N 2 2 267.417 0.920 20 0 CCADLP C[C@@H]1CC[C@H](N2CC([N@H+]3C[C@@H](C)O[C@@H](C)C3)C2)C[NH2+]1 ZINC001246986216 840690377 /nfs/dbraw/zinc/69/03/77/840690377.db2.gz GLUCVSFCSKQHFH-MQYQWHSLSA-N 2 2 267.417 0.920 20 0 CCADLP C[C@@H]1CC[C@H](N2CC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)C[NH2+]1 ZINC001246986216 840690380 /nfs/dbraw/zinc/69/03/80/840690380.db2.gz GLUCVSFCSKQHFH-MQYQWHSLSA-N 2 2 267.417 0.920 20 0 CCADLP Cc1cc(C[NH2+]CCNC(=O)Cc2c[nH+]cn2C)sn1 ZINC001147876963 840711176 /nfs/dbraw/zinc/71/11/76/840711176.db2.gz AOSLJPNLUMBOPS-UHFFFAOYSA-N 2 2 293.396 0.634 20 0 CCADLP Cc1ncsc1C[NH2+]CCNC(=O)Cc1c[nH+]cn1C ZINC001147899953 840717762 /nfs/dbraw/zinc/71/77/62/840717762.db2.gz DUKFBHYBTKTMMX-UHFFFAOYSA-N 2 2 293.396 0.634 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)NCC[NH2+]Cc1cnon1 ZINC001148051963 840735424 /nfs/dbraw/zinc/73/54/24/840735424.db2.gz YZENDTMEPDALHA-UHFFFAOYSA-N 2 2 290.327 0.050 20 0 CCADLP CCOCCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001186575793 844569627 /nfs/dbraw/zinc/56/96/27/844569627.db2.gz CMKKUFMEKSUXCD-GFCCVEGCSA-N 2 2 280.372 0.569 20 0 CCADLP Cc1noc([C@H](C)[NH2+]CCNC(=O)CCCC[NH+](C)C)n1 ZINC001148364856 840794685 /nfs/dbraw/zinc/79/46/85/840794685.db2.gz FJXSCYDRJQUUOC-NSHDSACASA-N 2 2 297.403 0.877 20 0 CCADLP C[C@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)[C@@H]1CCCC[NH2+]1 ZINC000714244752 841186099 /nfs/dbraw/zinc/18/60/99/841186099.db2.gz QKIGRJJTIJGCTK-BJDJZHNGSA-N 2 2 260.403 0.682 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](CCN2CCOC2=O)C[C@H]1C(F)(F)F ZINC000714578423 841220360 /nfs/dbraw/zinc/22/03/60/841220360.db2.gz NEFQBWWWPMGJNL-RKDXNWHRSA-N 2 2 281.278 0.508 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](CCN2CCOC2=O)C[C@H]1C(F)(F)F ZINC000714578423 841220368 /nfs/dbraw/zinc/22/03/68/841220368.db2.gz NEFQBWWWPMGJNL-RKDXNWHRSA-N 2 2 281.278 0.508 20 0 CCADLP CC[N@@H+]1CC[C@H](C[NH2+]C2CC(S(C)(=O)=O)C2)C1 ZINC000716095033 841436067 /nfs/dbraw/zinc/43/60/67/841436067.db2.gz WSRVXUNWGAPUGD-VOMCLLRMSA-N 2 2 260.403 0.493 20 0 CCADLP CC[N@H+]1CC[C@H](C[NH2+]C2CC(S(C)(=O)=O)C2)C1 ZINC000716095033 841436071 /nfs/dbraw/zinc/43/60/71/841436071.db2.gz WSRVXUNWGAPUGD-VOMCLLRMSA-N 2 2 260.403 0.493 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001099928282 841455772 /nfs/dbraw/zinc/45/57/72/841455772.db2.gz JPDXNMQYUKHCDA-OLZOCXBDSA-N 2 2 294.399 0.314 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)[C@@H](O)C1 ZINC001099928282 841455776 /nfs/dbraw/zinc/45/57/76/841455776.db2.gz JPDXNMQYUKHCDA-OLZOCXBDSA-N 2 2 294.399 0.314 20 0 CCADLP C[NH+]1CCN(C(=O)[C@H]([NH3+])Cc2ccccc2F)CC1 ZINC000257677794 841735624 /nfs/dbraw/zinc/73/56/24/841735624.db2.gz IPZLJFWCNQGHPK-CYBMUJFWSA-N 2 2 265.332 0.470 20 0 CCADLP CCN1CC[C@H](n2c[nH+]c(C)c2CC[NH3+])CC1=O ZINC001172028756 841807689 /nfs/dbraw/zinc/80/76/89/841807689.db2.gz MKJJWUZNJJPEJD-NSHDSACASA-N 2 2 250.346 0.876 20 0 CCADLP Cc1ncc(C[NH3+])c(=N)n1C1C[C@@H]2COC[C@H](C1)[N@@H+]2C ZINC001172125039 841834140 /nfs/dbraw/zinc/83/41/40/841834140.db2.gz PEACCBWGYYHINT-YHWZYXNKSA-N 2 2 277.372 0.164 20 0 CCADLP Cc1ncc(C[NH3+])c(=N)n1C1C[C@@H]2COC[C@H](C1)[N@H+]2C ZINC001172125039 841834151 /nfs/dbraw/zinc/83/41/51/841834151.db2.gz PEACCBWGYYHINT-YHWZYXNKSA-N 2 2 277.372 0.164 20 0 CCADLP C[N@H+](CCO)CCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172110869 841850121 /nfs/dbraw/zinc/85/01/21/841850121.db2.gz QHABXAJHJSKDGB-QDMKHBRRSA-N 3 2 269.433 0.906 20 0 CCADLP C[N@@H+](CCO)CCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172110869 841850124 /nfs/dbraw/zinc/85/01/24/841850124.db2.gz QHABXAJHJSKDGB-QDMKHBRRSA-N 3 2 269.433 0.906 20 0 CCADLP C[NH+](CCO)CCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172110869 841850128 /nfs/dbraw/zinc/85/01/28/841850128.db2.gz QHABXAJHJSKDGB-QDMKHBRRSA-N 3 2 269.433 0.906 20 0 CCADLP C[NH+](CCO)CCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172110869 841850131 /nfs/dbraw/zinc/85/01/31/841850131.db2.gz QHABXAJHJSKDGB-QDMKHBRRSA-N 3 2 269.433 0.906 20 0 CCADLP CN(C)c1ncc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cn1 ZINC001206163185 841893163 /nfs/dbraw/zinc/89/31/63/841893163.db2.gz AJSGDBJRGCBNSQ-NWDGAFQWSA-N 2 2 267.352 0.804 20 0 CCADLP CN(C)c1ncc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cn1 ZINC001206163185 841893174 /nfs/dbraw/zinc/89/31/74/841893174.db2.gz AJSGDBJRGCBNSQ-NWDGAFQWSA-N 2 2 267.352 0.804 20 0 CCADLP COCCC[NH+]1CCC([NH+]2CCN(CC[NH3+])CC2)CC1 ZINC001172245282 841907797 /nfs/dbraw/zinc/90/77/97/841907797.db2.gz QDKJCSWPESUVOX-UHFFFAOYSA-N 3 2 284.448 0.064 20 0 CCADLP COCCC[NH+]1CCC([N@H+]2CCNC(=O)CC2)CC1 ZINC001172251063 841912406 /nfs/dbraw/zinc/91/24/06/841912406.db2.gz YQQWZLANIRMXNJ-UHFFFAOYSA-N 2 2 269.389 0.309 20 0 CCADLP COCCC[NH+]1CCC([N@@H+]2CCNC(=O)CC2)CC1 ZINC001172251063 841912399 /nfs/dbraw/zinc/91/23/99/841912399.db2.gz YQQWZLANIRMXNJ-UHFFFAOYSA-N 2 2 269.389 0.309 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](Cc2cnc3n2CC[NH2+]CC3)CC[C@@H]1F ZINC001206165282 841934694 /nfs/dbraw/zinc/93/46/94/841934694.db2.gz NDFYVIBMOBHUAV-QWHCGFSZSA-N 3 2 281.379 0.290 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](Cc2cnc3n2CC[NH2+]CC3)CC[C@@H]1F ZINC001206165282 841934695 /nfs/dbraw/zinc/93/46/95/841934695.db2.gz NDFYVIBMOBHUAV-QWHCGFSZSA-N 3 2 281.379 0.290 20 0 CCADLP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[N@H+](CC[NH3+])CCO ZINC001172943023 841989510 /nfs/dbraw/zinc/98/95/10/841989510.db2.gz CONODKNFYSPRRJ-LBPRGKRZSA-N 2 2 289.420 0.885 20 0 CCADLP C[C@@H](CCN(C)C(=O)OC(C)(C)C)[N@@H+](CC[NH3+])CCO ZINC001172943023 841989515 /nfs/dbraw/zinc/98/95/15/841989515.db2.gz CONODKNFYSPRRJ-LBPRGKRZSA-N 2 2 289.420 0.885 20 0 CCADLP CCOC(=O)[C@@H]1CC12CCC([NH2+]C1(C[NH3+])COC1)CC2 ZINC001173605872 842117226 /nfs/dbraw/zinc/11/72/26/842117226.db2.gz ZJRAFZWSFKMEEJ-LXVYMNJGSA-N 2 2 282.384 0.816 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]CC[C@H]1CCCO1 ZINC001174681981 842199783 /nfs/dbraw/zinc/19/97/83/842199783.db2.gz FAWVHRSWAQBCRO-CYBMUJFWSA-N 2 2 294.399 0.926 20 0 CCADLP C[C@@H](CCCC[NH2+][C@@H](C)C(N)=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175462969 842252219 /nfs/dbraw/zinc/25/22/19/842252219.db2.gz WGQASHYSOVHPBS-QWRGUYRKSA-N 2 2 295.387 0.091 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCCC[NH2+]C[C@H](C)O ZINC001176350335 842362393 /nfs/dbraw/zinc/36/23/93/842362393.db2.gz BOWKFFMOHRWKIG-NEPJUHHUSA-N 2 2 296.415 0.906 20 0 CCADLP Cc1[nH+]cn(-c2cnc(N3CC[NH+](C)CC3)nc2)c1N ZINC001176630401 842391621 /nfs/dbraw/zinc/39/16/21/842391621.db2.gz IOIFEFZHGKQAKR-UHFFFAOYSA-N 2 2 273.344 0.305 20 0 CCADLP O=C(NCCC[NH2+]CCF)[C@@H](C1CC1)[NH+]1CCOCC1 ZINC001176675939 842398336 /nfs/dbraw/zinc/39/83/36/842398336.db2.gz PNVOMLHUXYOHGN-CYBMUJFWSA-N 2 2 287.379 0.163 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CC[C@@H]2OCC[NH+](CC)[C@@H]2C1 ZINC001177139590 842510695 /nfs/dbraw/zinc/51/06/95/842510695.db2.gz RXWIDCFUISNFFF-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[C@@H]2OCC[NH+](CC)[C@@H]2C1 ZINC001177139590 842510706 /nfs/dbraw/zinc/51/07/06/842510706.db2.gz RXWIDCFUISNFFF-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CCC[NH+](C)CC(=O)N1CC[C@@H]2OCC[N@H+](CC)[C@@H]2C1 ZINC001177139590 842510711 /nfs/dbraw/zinc/51/07/11/842510711.db2.gz RXWIDCFUISNFFF-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCCNC(=O)Cn2cc[nH+]c2)o1 ZINC001177411366 842584335 /nfs/dbraw/zinc/58/43/35/842584335.db2.gz LHSXKYKJJHQNJW-SNVBAGLBSA-N 2 2 292.343 0.432 20 0 CCADLP CCCC[C@H]([NH2+]CCCNC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001177411304 842585526 /nfs/dbraw/zinc/58/55/26/842585526.db2.gz DVQSGSMMHQPLBX-LBPRGKRZSA-N 2 2 295.387 0.023 20 0 CCADLP C[N@@H+]1CCC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21 ZINC001177998339 842720415 /nfs/dbraw/zinc/72/04/15/842720415.db2.gz PHJFFGRAMKYMBT-NWDGAFQWSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@H+]1CCC[C@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@H]21 ZINC001177998339 842720423 /nfs/dbraw/zinc/72/04/23/842720423.db2.gz PHJFFGRAMKYMBT-NWDGAFQWSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@@H+]1CCC[C@](C)(NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001178000683 842723509 /nfs/dbraw/zinc/72/35/09/842723509.db2.gz ZZJPCDSKXNSMFU-ZDUSSCGKSA-N 2 2 250.346 0.943 20 0 CCADLP C[N@H+]1CCC[C@](C)(NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001178000683 842723513 /nfs/dbraw/zinc/72/35/13/842723513.db2.gz ZZJPCDSKXNSMFU-ZDUSSCGKSA-N 2 2 250.346 0.943 20 0 CCADLP C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)[C@@H]1CCc3[nH+]ccn3C1)C2 ZINC001178117192 842760885 /nfs/dbraw/zinc/76/08/85/842760885.db2.gz PZRBSRWHFBDAQA-XJKCOSOUSA-N 2 2 288.395 0.856 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)[C@H]1C ZINC001179688984 843032534 /nfs/dbraw/zinc/03/25/34/843032534.db2.gz QUAYRCGLIAVZOS-OBJOEFQTSA-N 2 2 294.399 0.814 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001179688984 843032547 /nfs/dbraw/zinc/03/25/47/843032547.db2.gz QUAYRCGLIAVZOS-OBJOEFQTSA-N 2 2 294.399 0.814 20 0 CCADLP COCC[NH2+]CCCCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001179689923 843034787 /nfs/dbraw/zinc/03/47/87/843034787.db2.gz RQWMHEMITLVPLA-UHFFFAOYSA-N 2 2 282.388 0.865 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001180007020 843097726 /nfs/dbraw/zinc/09/77/26/843097726.db2.gz PLUAZIHIXWEVMA-DRZSPHRISA-N 2 2 294.399 0.875 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001180279814 843141876 /nfs/dbraw/zinc/14/18/76/843141876.db2.gz LZKACKAGMPLVKH-AGIUHOORSA-N 2 2 280.372 0.497 20 0 CCADLP N=c1cc(C[NH3+])ccn1C(=O)Cc1cc[nH+]c(N)c1 ZINC001181266471 843438487 /nfs/dbraw/zinc/43/84/87/843438487.db2.gz ZMHDEXUHUSPKBP-UHFFFAOYSA-N 2 2 257.297 0.286 20 0 CCADLP C[NH+]1CCC(O)(C(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC001182028425 843681393 /nfs/dbraw/zinc/68/13/93/843681393.db2.gz QYLAGYBTHXSYMT-UHFFFAOYSA-N 2 2 274.324 0.730 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001183116793 843963590 /nfs/dbraw/zinc/96/35/90/843963590.db2.gz SJENRWNGZRTAPX-DGCLKSJQSA-N 2 2 280.372 0.568 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001183116793 843963594 /nfs/dbraw/zinc/96/35/94/843963594.db2.gz SJENRWNGZRTAPX-DGCLKSJQSA-N 2 2 280.372 0.568 20 0 CCADLP CC[C@@H](F)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001187092505 844650388 /nfs/dbraw/zinc/65/03/88/844650388.db2.gz WHZGSRUOVZAOJL-VXGBXAGGSA-N 2 2 282.363 0.901 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+]CCC[C@H](C)O)C1 ZINC001187421242 844723090 /nfs/dbraw/zinc/72/30/90/844723090.db2.gz YWJVBIKPSAZDNJ-WCQYABFASA-N 2 2 294.399 0.612 20 0 CCADLP CO[C@H](C)C[N@H+](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189873471 845243430 /nfs/dbraw/zinc/24/34/30/845243430.db2.gz FPHPIOKMZHJSHY-CHWSQXEVSA-N 2 2 294.399 0.910 20 0 CCADLP CO[C@H](C)C[N@@H+](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189873471 845243439 /nfs/dbraw/zinc/24/34/39/845243439.db2.gz FPHPIOKMZHJSHY-CHWSQXEVSA-N 2 2 294.399 0.910 20 0 CCADLP COCC[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192550550 845867170 /nfs/dbraw/zinc/86/71/70/845867170.db2.gz JNPWZOYMKMCOOZ-GFCCVEGCSA-N 2 2 266.345 0.131 20 0 CCADLP COCC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192550550 845867175 /nfs/dbraw/zinc/86/71/75/845867175.db2.gz JNPWZOYMKMCOOZ-GFCCVEGCSA-N 2 2 266.345 0.131 20 0 CCADLP C[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194448291 846301924 /nfs/dbraw/zinc/30/19/24/846301924.db2.gz ARTZEPPGIGJJFK-KBPBESRZSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194448291 846301934 /nfs/dbraw/zinc/30/19/34/846301934.db2.gz ARTZEPPGIGJJFK-KBPBESRZSA-N 2 2 294.399 0.577 20 0 CCADLP CC(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001196827331 846806409 /nfs/dbraw/zinc/80/64/09/846806409.db2.gz ZUDLGTYKMUGTEB-IACUBPJLSA-N 2 2 294.399 0.406 20 0 CCADLP CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001196827331 846806415 /nfs/dbraw/zinc/80/64/15/846806415.db2.gz ZUDLGTYKMUGTEB-IACUBPJLSA-N 2 2 294.399 0.406 20 0 CCADLP CC(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001196827331 846806417 /nfs/dbraw/zinc/80/64/17/846806417.db2.gz ZUDLGTYKMUGTEB-IACUBPJLSA-N 2 2 294.399 0.406 20 0 CCADLP CC(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001196827331 846806424 /nfs/dbraw/zinc/80/64/24/846806424.db2.gz ZUDLGTYKMUGTEB-IACUBPJLSA-N 2 2 294.399 0.406 20 0 CCADLP Cc1cc(C(=O)N2CC3(C2)C[NH+](C)C3)nn1-c1cc[nH+]cc1 ZINC001197535387 846927645 /nfs/dbraw/zinc/92/76/45/846927645.db2.gz UKNFLMQIMPTZSH-UHFFFAOYSA-N 2 2 297.362 0.963 20 0 CCADLP C[C@@H](C(N)=O)[N@@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197879440 846993292 /nfs/dbraw/zinc/99/32/92/846993292.db2.gz IWLZRFDQAIBSBP-ZDUSSCGKSA-N 2 2 298.431 0.126 20 0 CCADLP C[C@@H](C(N)=O)[N@H+]1CCCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001197879440 846993294 /nfs/dbraw/zinc/99/32/94/846993294.db2.gz IWLZRFDQAIBSBP-ZDUSSCGKSA-N 2 2 298.431 0.126 20 0 CCADLP CCc1nnc([C@@H](C)[NH2+]CCNC(=O)C[N@H+](C)C(C)C)[nH]1 ZINC001152433213 847081418 /nfs/dbraw/zinc/08/14/18/847081418.db2.gz XVCTXVBUPBENQZ-LLVKDONJSA-N 2 2 296.419 0.474 20 0 CCADLP CCc1nnc([C@@H](C)[NH2+]CCNC(=O)C[N@@H+](C)C(C)C)[nH]1 ZINC001152433213 847081428 /nfs/dbraw/zinc/08/14/28/847081428.db2.gz XVCTXVBUPBENQZ-LLVKDONJSA-N 2 2 296.419 0.474 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C)o1 ZINC001152439840 847090929 /nfs/dbraw/zinc/09/09/29/847090929.db2.gz SKRUUMXMGDWFPW-UHFFFAOYSA-N 2 2 268.361 0.529 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)C[N@H+](C)C(C)C)o1 ZINC001152439840 847090937 /nfs/dbraw/zinc/09/09/37/847090937.db2.gz SKRUUMXMGDWFPW-UHFFFAOYSA-N 2 2 268.361 0.529 20 0 CCADLP COCC[NH2+]C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001200290848 847599789 /nfs/dbraw/zinc/59/97/89/847599789.db2.gz FCHQTNSKIFDYBV-UHFFFAOYSA-N 2 2 280.372 0.569 20 0 CCADLP C[NH+]1CCN(c2cc(-n3c[nH+]cc3N)cc[nH+]2)CC1 ZINC001201655757 847803236 /nfs/dbraw/zinc/80/32/36/847803236.db2.gz RIWLQOHAVNULIJ-UHFFFAOYSA-N 3 2 258.329 0.601 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO ZINC001110641059 847935386 /nfs/dbraw/zinc/93/53/86/847935386.db2.gz FKABVGWGANSSKU-MCIONIFRSA-N 2 2 292.383 0.446 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO ZINC001110641059 847935390 /nfs/dbraw/zinc/93/53/90/847935390.db2.gz FKABVGWGANSSKU-MCIONIFRSA-N 2 2 292.383 0.446 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO ZINC001110641059 847935404 /nfs/dbraw/zinc/93/54/04/847935404.db2.gz FKABVGWGANSSKU-MCIONIFRSA-N 2 2 292.383 0.446 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO ZINC001110641059 847935413 /nfs/dbraw/zinc/93/54/13/847935413.db2.gz FKABVGWGANSSKU-MCIONIFRSA-N 2 2 292.383 0.446 20 0 CCADLP Cc1noc(C)c1C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153487776 848011304 /nfs/dbraw/zinc/01/13/04/848011304.db2.gz OHCLBULWYNWTCM-UHFFFAOYSA-N 2 2 277.328 0.394 20 0 CCADLP OC1(C[NH2+][C@H]2CC[N@@H+](C3CCOCC3)C2)CCOCC1 ZINC001252979067 848118832 /nfs/dbraw/zinc/11/88/32/848118832.db2.gz NKESYMPZMGEBRY-ZDUSSCGKSA-N 2 2 284.400 0.371 20 0 CCADLP OC1(C[NH2+][C@H]2CC[N@H+](C3CCOCC3)C2)CCOCC1 ZINC001252979067 848118840 /nfs/dbraw/zinc/11/88/40/848118840.db2.gz NKESYMPZMGEBRY-ZDUSSCGKSA-N 2 2 284.400 0.371 20 0 CCADLP C[N@@H+]1CCC[C@@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253403285 848207262 /nfs/dbraw/zinc/20/72/62/848207262.db2.gz CLONGHHXIGIMQO-OLZOCXBDSA-N 3 2 257.422 0.809 20 0 CCADLP C[N@H+]1CCC[C@@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253403285 848207269 /nfs/dbraw/zinc/20/72/69/848207269.db2.gz CLONGHHXIGIMQO-OLZOCXBDSA-N 3 2 257.422 0.809 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@H](O)c1cc(F)ccc1F ZINC000717316578 848227783 /nfs/dbraw/zinc/22/77/83/848227783.db2.gz LCLZUTZFDRDZRI-MFKMUULPSA-N 2 2 274.311 0.510 20 0 CCADLP C[NH+](C)CCN1C(=O)COCC12CN(c1cccc[nH+]1)C2 ZINC001274739346 848556566 /nfs/dbraw/zinc/55/65/66/848556566.db2.gz GVDLSALPYXZLPB-UHFFFAOYSA-N 2 2 290.367 0.061 20 0 CCADLP C[C@H](C[NH2+]CCCO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001274925783 848593034 /nfs/dbraw/zinc/59/30/34/848593034.db2.gz OBKOZCLMVUKNEM-IJLUTSLNSA-N 2 2 280.372 0.000 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[NH2+]CC1CC1 ZINC001275002132 848612572 /nfs/dbraw/zinc/61/25/72/848612572.db2.gz YNJRZQBEACXHBT-SECBINFHSA-N 2 2 250.346 0.765 20 0 CCADLP C[C@H](F)CC[NH2+]C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001275383622 848706180 /nfs/dbraw/zinc/70/61/80/848706180.db2.gz YRKLPLYXLVBLGK-UWVGGRQHSA-N 2 2 256.325 0.795 20 0 CCADLP CCOCC[N@H+](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001275707010 848797192 /nfs/dbraw/zinc/79/71/92/848797192.db2.gz PBTFUGNCGPXKHY-LLVKDONJSA-N 2 2 282.388 0.734 20 0 CCADLP CCOCC[N@@H+](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001275707010 848797196 /nfs/dbraw/zinc/79/71/96/848797196.db2.gz PBTFUGNCGPXKHY-LLVKDONJSA-N 2 2 282.388 0.734 20 0 CCADLP CCn1cc(C[NH+]2CC3(CN(CC[NH+](C)C)C3)C2)cn1 ZINC001276243411 848970495 /nfs/dbraw/zinc/97/04/95/848970495.db2.gz FTCXCIZLTQBKSB-UHFFFAOYSA-N 2 2 277.416 0.582 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C(C)(C)O)C1 ZINC000719635339 849321355 /nfs/dbraw/zinc/32/13/55/849321355.db2.gz AUFLBNGSJDHIDT-KGLIPLIRSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C(C)(C)O)C1 ZINC000719635339 849321361 /nfs/dbraw/zinc/32/13/61/849321361.db2.gz AUFLBNGSJDHIDT-KGLIPLIRSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000719635339 849321366 /nfs/dbraw/zinc/32/13/66/849321366.db2.gz AUFLBNGSJDHIDT-KGLIPLIRSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000719635339 849321376 /nfs/dbraw/zinc/32/13/76/849321376.db2.gz AUFLBNGSJDHIDT-KGLIPLIRSA-N 2 2 288.432 0.408 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720842985 849551582 /nfs/dbraw/zinc/55/15/82/849551582.db2.gz FXLWUDYQVIDREU-HRDYMLBCSA-N 2 2 267.295 0.532 20 0 CCADLP [NH3+]C[C@H]1CN(CC[NH+]2CCOCC2)C[C@@H]1C(F)(F)F ZINC000720811373 849542252 /nfs/dbraw/zinc/54/22/52/849542252.db2.gz OMJYFLSGRPKTDX-QWRGUYRKSA-N 2 2 281.322 0.388 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720842985 849551578 /nfs/dbraw/zinc/55/15/78/849551578.db2.gz FXLWUDYQVIDREU-HRDYMLBCSA-N 2 2 267.295 0.532 20 0 CCADLP COCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001038344442 849857479 /nfs/dbraw/zinc/85/74/79/849857479.db2.gz GINYQUWBHLPZMC-OLZOCXBDSA-N 2 2 292.383 0.597 20 0 CCADLP COCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001038344442 849857487 /nfs/dbraw/zinc/85/74/87/849857487.db2.gz GINYQUWBHLPZMC-OLZOCXBDSA-N 2 2 292.383 0.597 20 0 CCADLP Cc1nocc1C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039006038 850116296 /nfs/dbraw/zinc/11/62/96/850116296.db2.gz JLAAKQMMDCRXQL-GXTWGEPZSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1nocc1C[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001039006038 850116300 /nfs/dbraw/zinc/11/63/00/850116300.db2.gz JLAAKQMMDCRXQL-GXTWGEPZSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1nocc1C[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039006038 850116305 /nfs/dbraw/zinc/11/63/05/850116305.db2.gz JLAAKQMMDCRXQL-GXTWGEPZSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1nocc1C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001039006038 850116312 /nfs/dbraw/zinc/11/63/12/850116312.db2.gz JLAAKQMMDCRXQL-GXTWGEPZSA-N 2 2 292.383 0.625 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2Cc2cccnc2)C1 ZINC001039008143 850119505 /nfs/dbraw/zinc/11/95/05/850119505.db2.gz URAQOPROWLGTIN-LSDHHAIUSA-N 2 2 288.395 0.724 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+]2Cc2cccnc2)C1 ZINC001039008143 850119514 /nfs/dbraw/zinc/11/95/14/850119514.db2.gz URAQOPROWLGTIN-LSDHHAIUSA-N 2 2 288.395 0.724 20 0 CCADLP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2cccnc2)C1 ZINC001039008143 850119520 /nfs/dbraw/zinc/11/95/20/850119520.db2.gz URAQOPROWLGTIN-LSDHHAIUSA-N 2 2 288.395 0.724 20 0 CCADLP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@H+]2Cc2cccnc2)C1 ZINC001039008143 850119527 /nfs/dbraw/zinc/11/95/27/850119527.db2.gz URAQOPROWLGTIN-LSDHHAIUSA-N 2 2 288.395 0.724 20 0 CCADLP Cc1oncc1C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039028058 850127323 /nfs/dbraw/zinc/12/73/23/850127323.db2.gz MFEUWQRYPOBGFG-OCCSQVGLSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1oncc1C[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001039028058 850127327 /nfs/dbraw/zinc/12/73/27/850127327.db2.gz MFEUWQRYPOBGFG-OCCSQVGLSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1oncc1C[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039028058 850127330 /nfs/dbraw/zinc/12/73/30/850127330.db2.gz MFEUWQRYPOBGFG-OCCSQVGLSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1oncc1C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001039028058 850127338 /nfs/dbraw/zinc/12/73/38/850127338.db2.gz MFEUWQRYPOBGFG-OCCSQVGLSA-N 2 2 292.383 0.625 20 0 CCADLP CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001041786416 850502409 /nfs/dbraw/zinc/50/24/09/850502409.db2.gz GQDYNNRJOHTMMM-OAHLLOKOSA-N 2 2 276.384 0.907 20 0 CCADLP CC[N@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001041786416 850502413 /nfs/dbraw/zinc/50/24/13/850502413.db2.gz GQDYNNRJOHTMMM-OAHLLOKOSA-N 2 2 276.384 0.907 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001042333609 850615454 /nfs/dbraw/zinc/61/54/54/850615454.db2.gz BPUOGSNNRWBLDB-OCCSQVGLSA-N 2 2 292.383 0.176 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001042333609 850615459 /nfs/dbraw/zinc/61/54/59/850615459.db2.gz BPUOGSNNRWBLDB-OCCSQVGLSA-N 2 2 292.383 0.176 20 0 CCADLP CC[C@@H](C[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1)OC ZINC001042547896 850694397 /nfs/dbraw/zinc/69/43/97/850694397.db2.gz ZRTHGNVWQKGYCG-UONOGXRCSA-N 2 2 283.416 0.648 20 0 CCADLP CC[C@@H](C[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1)OC ZINC001042547896 850694406 /nfs/dbraw/zinc/69/44/06/850694406.db2.gz ZRTHGNVWQKGYCG-UONOGXRCSA-N 2 2 283.416 0.648 20 0 CCADLP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1C[NH+](CCC(C)(C)C)C1 ZINC001042573832 850700646 /nfs/dbraw/zinc/70/06/46/850700646.db2.gz VMNTWPBHNHKSQF-AWEZNQCLSA-N 2 2 297.443 0.896 20 0 CCADLP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1C[NH+](CCC(C)(C)C)C1 ZINC001042573832 850700650 /nfs/dbraw/zinc/70/06/50/850700650.db2.gz VMNTWPBHNHKSQF-AWEZNQCLSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@@H](O)C[NH+]1CC(N(C)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001043355660 850860253 /nfs/dbraw/zinc/86/02/53/850860253.db2.gz QXYMJAXTBUASAF-LLVKDONJSA-N 2 2 288.351 0.471 20 0 CCADLP CN(C(=O)c1occc1C[NH+](C)C)C1C[NH+](CCCO)C1 ZINC001043666487 850918487 /nfs/dbraw/zinc/91/84/87/850918487.db2.gz IHLQHODMISCDMS-UHFFFAOYSA-N 2 2 295.383 0.480 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCF)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001044750888 851153514 /nfs/dbraw/zinc/15/35/14/851153514.db2.gz PQAHDVLIFZJTGE-GHMZBOCLSA-N 2 2 268.336 0.891 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCO)CCN1C(=O)CCc1c[nH+]cn1C ZINC001044837494 851166657 /nfs/dbraw/zinc/16/66/57/851166657.db2.gz QQOLTFICEQSNSO-STQMWFEESA-N 2 2 294.399 0.314 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CC2CC2)C1 ZINC001044972660 851197219 /nfs/dbraw/zinc/19/72/19/851197219.db2.gz ZDVYZZVEYPXVEQ-UONOGXRCSA-N 2 2 281.400 0.308 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CC2CC2)C1 ZINC001044972660 851197227 /nfs/dbraw/zinc/19/72/27/851197227.db2.gz ZDVYZZVEYPXVEQ-UONOGXRCSA-N 2 2 281.400 0.308 20 0 CCADLP CC(C)[NH2+]C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001045219666 851223992 /nfs/dbraw/zinc/22/39/92/851223992.db2.gz PZHJJOMTLFVCOS-LBPRGKRZSA-N 2 2 250.346 0.941 20 0 CCADLP CC[NH2+]C[C@@H]1CCCN1C(=O)CCc1[nH+]ccn1C ZINC001045131838 851216665 /nfs/dbraw/zinc/21/66/65/851216665.db2.gz TYIFEQXLLHRGOS-LBPRGKRZSA-N 2 2 264.373 0.953 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]1C[NH2+]C[C@H]1CCOC1 ZINC001045329219 851233768 /nfs/dbraw/zinc/23/37/68/851233768.db2.gz BXVWEZKOPQYNEF-KGLIPLIRSA-N 2 2 292.383 0.500 20 0 CCADLP C[C@H](CNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C)Cn1cc[nH+]c1 ZINC000900787782 851513280 /nfs/dbraw/zinc/51/32/80/851513280.db2.gz SDPKYGZYRVBUIJ-MBNYWOFBSA-N 2 2 280.372 0.091 20 0 CCADLP C[C@H](CNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C)Cn1cc[nH+]c1 ZINC000900787782 851513283 /nfs/dbraw/zinc/51/32/83/851513283.db2.gz SDPKYGZYRVBUIJ-MBNYWOFBSA-N 2 2 280.372 0.091 20 0 CCADLP C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc(S(N)(=O)=O)cc1 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CCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001100095177 855096825 /nfs/dbraw/zinc/09/68/25/855096825.db2.gz ZDOGQVDJZFJYTC-KBPBESRZSA-N 2 2 294.399 0.314 20 0 CCADLP COCC[NH2+]C1CC(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001100744124 855217345 /nfs/dbraw/zinc/21/73/45/855217345.db2.gz JZTDIAGQSUNKDU-HIFPTAJRSA-N 2 2 294.399 0.719 20 0 CCADLP COCC[NH2+]C1CC(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001100744124 855217353 /nfs/dbraw/zinc/21/73/53/855217353.db2.gz JZTDIAGQSUNKDU-HIFPTAJRSA-N 2 2 294.399 0.719 20 0 CCADLP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001115315388 855661636 /nfs/dbraw/zinc/66/16/36/855661636.db2.gz AWSMYUJTPKVYGT-CBBWQLFWSA-N 2 2 288.395 0.751 20 0 CCADLP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001115315388 855661637 /nfs/dbraw/zinc/66/16/37/855661637.db2.gz AWSMYUJTPKVYGT-CBBWQLFWSA-N 2 2 288.395 0.751 20 0 CCADLP Cc1nc(N[C@@H](C)CN(C)C(=O)[C@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001115739754 855693728 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CCO[C@@H](CNC(=O)[C@@H](C)n1cc[nH+]c1)C[NH+](C)C ZINC001119902359 856914984 /nfs/dbraw/zinc/91/49/84/856914984.db2.gz QAYXBVULAPYTKG-NEPJUHHUSA-N 2 2 268.361 0.527 20 0 CCADLP CC[C@@H](C[N@@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1)OC ZINC001392876882 912223674 /nfs/dbraw/zinc/22/36/74/912223674.db2.gz GSMNCNGQPFQCKK-STQMWFEESA-N 2 2 280.372 0.499 20 0 CCADLP CC[C@@H](C[N@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1)OC ZINC001392876882 912223691 /nfs/dbraw/zinc/22/36/91/912223691.db2.gz GSMNCNGQPFQCKK-STQMWFEESA-N 2 2 280.372 0.499 20 0 CCADLP C[C@@H](O)C[NH+]1CCC(C)(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001393079339 912377816 /nfs/dbraw/zinc/37/78/16/912377816.db2.gz JXPTXHVELPJPDA-GFCCVEGCSA-N 2 2 280.372 0.235 20 0 CCADLP CC[C@@H](C(=O)N[C@]1(C)CC[N@H+](CC(N)=O)C1)[NH+](CC)CC ZINC001393108432 912397438 /nfs/dbraw/zinc/39/74/38/912397438.db2.gz AATSPELHORUGPB-SWLSCSKDSA-N 2 2 298.431 0.173 20 0 CCADLP CC[C@@H](C(=O)N[C@]1(C)CC[N@@H+](CC(N)=O)C1)[NH+](CC)CC ZINC001393108432 912397457 /nfs/dbraw/zinc/39/74/57/912397457.db2.gz AATSPELHORUGPB-SWLSCSKDSA-N 2 2 298.431 0.173 20 0 CCADLP CC[C@@H](C(=O)NCC1(O)C[NH+](CC[C@@H](C)F)C1)[NH+](C)C ZINC001393362167 912533739 /nfs/dbraw/zinc/53/37/39/912533739.db2.gz UUXUPNTXKNOTAD-NEPJUHHUSA-N 2 2 289.395 0.238 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[N@H+](CCO)CC1 ZINC001393601721 912672588 /nfs/dbraw/zinc/67/25/88/912672588.db2.gz HFTXJSLDQLPLAK-CHWSQXEVSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[N@@H+](CCO)CC1 ZINC001393601721 912672597 /nfs/dbraw/zinc/67/25/97/912672597.db2.gz HFTXJSLDQLPLAK-CHWSQXEVSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[N@H+](CCO)CC1 ZINC001393601721 912672602 /nfs/dbraw/zinc/67/26/02/912672602.db2.gz HFTXJSLDQLPLAK-CHWSQXEVSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[N@@H+](CCO)CC1 ZINC001393601721 912672611 /nfs/dbraw/zinc/67/26/11/912672611.db2.gz HFTXJSLDQLPLAK-CHWSQXEVSA-N 2 2 294.399 0.551 20 0 CCADLP Cc1nnc(C[NH2+][C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)o1 ZINC001393751524 912738357 /nfs/dbraw/zinc/73/83/57/912738357.db2.gz SGJMTYPIHXASAT-JQWIXIFHSA-N 2 2 295.387 0.266 20 0 CCADLP COCCC[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001324285852 912759088 /nfs/dbraw/zinc/75/90/88/912759088.db2.gz MIDRDSSHLXWZCZ-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP Cc1noc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCC[NH+](C)C)n1 ZINC001393961594 912878579 /nfs/dbraw/zinc/87/85/79/912878579.db2.gz HWWSTKGGZLHNBE-QWRGUYRKSA-N 2 2 297.403 0.703 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[N@H+](C)CCCO ZINC001394079206 912978894 /nfs/dbraw/zinc/97/88/94/912978894.db2.gz MDDBMRGXXQPOAI-STQMWFEESA-N 2 2 294.399 0.264 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[N@@H+](C)CCCO ZINC001394079206 912978906 /nfs/dbraw/zinc/97/89/06/912978906.db2.gz MDDBMRGXXQPOAI-STQMWFEESA-N 2 2 294.399 0.264 20 0 CCADLP CCCC[NH+]1CC(CCO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001394168828 913056893 /nfs/dbraw/zinc/05/68/93/913056893.db2.gz MNLHJBVWJYBOQJ-UHFFFAOYSA-N 2 2 280.372 0.236 20 0 CCADLP CC1(C)C[N@H+](CCO)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001394285120 913113037 /nfs/dbraw/zinc/11/30/37/913113037.db2.gz MNUALXJWMLJUFL-GFCCVEGCSA-N 2 2 280.372 0.092 20 0 CCADLP CC1(C)C[N@@H+](CCO)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001394285120 913113043 /nfs/dbraw/zinc/11/30/43/913113043.db2.gz MNUALXJWMLJUFL-GFCCVEGCSA-N 2 2 280.372 0.092 20 0 CCADLP COC[C@H](C)[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001394443915 913178050 /nfs/dbraw/zinc/17/80/50/913178050.db2.gz PZEQNDBUDZJGRD-AAEUAGOBSA-N 2 2 294.399 0.814 20 0 CCADLP COCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001283629473 891968016 /nfs/dbraw/zinc/96/80/16/891968016.db2.gz JHZBXWAHGGRWNR-QWHCGFSZSA-N 2 2 294.399 0.528 20 0 CCADLP C[C@H](C[NH2+]Cc1cnsn1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001419644841 891970901 /nfs/dbraw/zinc/97/09/01/891970901.db2.gz FDIKTMHIUKOKCH-PWSUYJOCSA-N 2 2 297.428 0.569 20 0 CCADLP C[C@H](C[NH2+]Cc1cnsn1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001419644841 891970912 /nfs/dbraw/zinc/97/09/12/891970912.db2.gz FDIKTMHIUKOKCH-PWSUYJOCSA-N 2 2 297.428 0.569 20 0 CCADLP CC(C)[C@H](C(=O)NCC1C[NH+](CCF)C1)[NH+](C)C ZINC001481656773 892972661 /nfs/dbraw/zinc/97/26/61/892972661.db2.gz ZIWPYMSHPKOLGZ-GFCCVEGCSA-N 2 2 259.369 0.590 20 0 CCADLP CN(C(=O)C[NH+](C)C1CCC1)[C@@H]1CC[N@H+](CCF)C1 ZINC001481725832 893088911 /nfs/dbraw/zinc/08/89/11/893088911.db2.gz IQCIDKXDRUOTSI-CYBMUJFWSA-N 2 2 271.380 0.973 20 0 CCADLP CN(C(=O)C[NH+](C)C1CCC1)[C@@H]1CC[N@@H+](CCF)C1 ZINC001481725832 893088929 /nfs/dbraw/zinc/08/89/29/893088929.db2.gz IQCIDKXDRUOTSI-CYBMUJFWSA-N 2 2 271.380 0.973 20 0 CCADLP CN(C(=O)C[N@H+](C)C1CCC1)[C@@H]1CC[NH+](CCF)C1 ZINC001481725832 893088951 /nfs/dbraw/zinc/08/89/51/893088951.db2.gz IQCIDKXDRUOTSI-CYBMUJFWSA-N 2 2 271.380 0.973 20 0 CCADLP CN(C(=O)C[N@@H+](C)C1CCC1)[C@@H]1CC[NH+](CCF)C1 ZINC001481725832 893088975 /nfs/dbraw/zinc/08/89/75/893088975.db2.gz IQCIDKXDRUOTSI-CYBMUJFWSA-N 2 2 271.380 0.973 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]1C[NH2+]CCF ZINC001482065344 893349527 /nfs/dbraw/zinc/34/95/27/893349527.db2.gz ZWTFHPRNPAVXMT-LLVKDONJSA-N 2 2 268.336 0.513 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]C[C@@H]1CCCOC1 ZINC001482153861 893443437 /nfs/dbraw/zinc/44/34/37/893443437.db2.gz CFMIQFUNUKXGQF-OLZOCXBDSA-N 2 2 294.399 0.721 20 0 CCADLP C[C@H](C[NH2+]C[C@@H]1CCOC1)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001482291828 893788104 /nfs/dbraw/zinc/78/81/04/893788104.db2.gz IDTCALCIXLRNQI-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H](C[NH2+]C[C@@H]1CCOC1)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001482291828 893788114 /nfs/dbraw/zinc/78/81/14/893788114.db2.gz IDTCALCIXLRNQI-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1 ZINC001482501785 894164384 /nfs/dbraw/zinc/16/43/84/894164384.db2.gz UAYWKWUCDWIHIA-KGLIPLIRSA-N 2 2 294.399 0.746 20 0 CCADLP CC[NH2+]C[C@H](O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001482742451 894561832 /nfs/dbraw/zinc/56/18/32/894561832.db2.gz QZEAQEYNJLMMML-JTQLQIEISA-N 2 2 262.313 0.263 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)C[NH2+]CC[C@@H](C)F ZINC001482788809 894601839 /nfs/dbraw/zinc/60/18/39/894601839.db2.gz QUIPQRYBCCIBFQ-MWLCHTKSSA-N 2 2 286.351 0.075 20 0 CCADLP CCN(CC[NH2+]CCF)C(=O)CCn1cc[nH+]c1 ZINC001482940996 894715337 /nfs/dbraw/zinc/71/53/37/894715337.db2.gz NZHOEFJUBRFZSA-UHFFFAOYSA-N 2 2 256.325 0.681 20 0 CCADLP CCN(CC[NH2+]C[C@@H]1CCOC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001482959640 894731973 /nfs/dbraw/zinc/73/19/73/894731973.db2.gz FRBOYZCGAIWXKT-LBPRGKRZSA-N 2 2 280.372 0.427 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cnon1 ZINC001483026459 894814789 /nfs/dbraw/zinc/81/47/89/894814789.db2.gz LUEBPHCEOPGEAH-OOPCZODUSA-N 2 2 293.371 0.316 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1cnon1 ZINC001483026459 894814799 /nfs/dbraw/zinc/81/47/99/894814799.db2.gz LUEBPHCEOPGEAH-OOPCZODUSA-N 2 2 293.371 0.316 20 0 CCADLP C[C@H](C[NH2+]Cc1cccnc1)NC(=O)Cn1cc[nH+]c1 ZINC001483199327 895086810 /nfs/dbraw/zinc/08/68/10/895086810.db2.gz CKMXKBBOEXXRCZ-GFCCVEGCSA-N 2 2 273.340 0.573 20 0 CCADLP CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001483354941 895493531 /nfs/dbraw/zinc/49/35/31/895493531.db2.gz DLWBPWZZSJGNBA-RYUDHWBXSA-N 2 2 264.373 0.902 20 0 CCADLP CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001483354941 895493540 /nfs/dbraw/zinc/49/35/40/895493540.db2.gz DLWBPWZZSJGNBA-RYUDHWBXSA-N 2 2 264.373 0.902 20 0 CCADLP CN(CCC[NH2+]CCF)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001483476824 895598798 /nfs/dbraw/zinc/59/87/98/895598798.db2.gz JUJPQQPYSDMUSS-GFCCVEGCSA-N 2 2 282.363 0.853 20 0 CCADLP C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001030445432 895720697 /nfs/dbraw/zinc/72/06/97/895720697.db2.gz ZIYNVXBOEHSJHU-SWLSCSKDSA-N 2 2 295.427 0.575 20 0 CCADLP C[C@H](O)C[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001030445432 895720712 /nfs/dbraw/zinc/72/07/12/895720712.db2.gz ZIYNVXBOEHSJHU-SWLSCSKDSA-N 2 2 295.427 0.575 20 0 CCADLP CCOCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001483671169 895828257 /nfs/dbraw/zinc/82/82/57/895828257.db2.gz VDTDPBIVGAKJGT-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP CCOCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001483671169 895828266 /nfs/dbraw/zinc/82/82/66/895828266.db2.gz VDTDPBIVGAKJGT-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP CCOCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001483671169 895828275 /nfs/dbraw/zinc/82/82/75/895828275.db2.gz VDTDPBIVGAKJGT-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP CCOCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001483671169 895828287 /nfs/dbraw/zinc/82/82/87/895828287.db2.gz VDTDPBIVGAKJGT-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CC[N@H+]1CCC[C@H](C)O ZINC001483696464 895871535 /nfs/dbraw/zinc/87/15/35/895871535.db2.gz KEKHWAVIBQKFNF-AAEUAGOBSA-N 2 2 294.399 0.612 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CC[N@@H+]1CCC[C@H](C)O ZINC001483696464 895871547 /nfs/dbraw/zinc/87/15/47/895871547.db2.gz KEKHWAVIBQKFNF-AAEUAGOBSA-N 2 2 294.399 0.612 20 0 CCADLP CO[C@@H](C)C[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001483779031 896047654 /nfs/dbraw/zinc/04/76/54/896047654.db2.gz NNTMOCJZMAXBLM-JTQLQIEISA-N 2 2 266.345 0.226 20 0 CCADLP CS(=O)(=O)CCCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC001326583830 914031030 /nfs/dbraw/zinc/03/10/30/914031030.db2.gz NJDYKKGGOZLFQA-CHWSQXEVSA-N 2 2 290.429 0.168 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H]1C[C@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001397104389 914046897 /nfs/dbraw/zinc/04/68/97/914046897.db2.gz ZDBUYJSNJIAWJY-QNWHQSFQSA-N 2 2 294.399 0.454 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H]1C[C@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001397104389 914046916 /nfs/dbraw/zinc/04/69/16/914046916.db2.gz ZDBUYJSNJIAWJY-QNWHQSFQSA-N 2 2 294.399 0.454 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[N@@H+](CCO)CC1 ZINC001484718077 896554322 /nfs/dbraw/zinc/55/43/22/896554322.db2.gz HWZXBNAZLNULRD-CYBMUJFWSA-N 2 2 280.372 0.236 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[N@H+](CCO)CC1 ZINC001484718077 896554336 /nfs/dbraw/zinc/55/43/36/896554336.db2.gz HWZXBNAZLNULRD-CYBMUJFWSA-N 2 2 280.372 0.236 20 0 CCADLP C[C@@H](O)C[N@H+](C)CCCN(C)C(=O)CCn1cc[nH+]c1 ZINC001484752267 896586466 /nfs/dbraw/zinc/58/64/66/896586466.db2.gz RPUFAMLVFQNYKT-CYBMUJFWSA-N 2 2 282.388 0.434 20 0 CCADLP C[C@@H](O)C[N@@H+](C)CCCN(C)C(=O)CCn1cc[nH+]c1 ZINC001484752267 896586477 /nfs/dbraw/zinc/58/64/77/896586477.db2.gz RPUFAMLVFQNYKT-CYBMUJFWSA-N 2 2 282.388 0.434 20 0 CCADLP COCC[NH+]1CC([C@@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001485519218 897104282 /nfs/dbraw/zinc/10/42/82/897104282.db2.gz UBPNEZYQZLJGQF-GFCCVEGCSA-N 2 2 280.372 0.356 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCS(=O)(=O)C2)C1 ZINC000715489009 897674142 /nfs/dbraw/zinc/67/41/42/897674142.db2.gz AXAATYAGVARQPJ-SDDRHHMPSA-N 2 2 260.403 0.636 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001485830954 897798701 /nfs/dbraw/zinc/79/87/01/897798701.db2.gz PYBYNLTXWIVWQZ-JQWIXIFHSA-N 2 2 280.372 0.160 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529327939 898013368 /nfs/dbraw/zinc/01/33/68/898013368.db2.gz SEBBQQWFMHHUCA-NSHDSACASA-N 2 2 263.345 0.504 20 0 CCADLP CO[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212436905 898219901 /nfs/dbraw/zinc/21/99/01/898219901.db2.gz PQKKZVSAYVCRDM-UPJWGTAASA-N 2 2 289.395 0.358 20 0 CCADLP CO[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212436905 898219915 /nfs/dbraw/zinc/21/99/15/898219915.db2.gz PQKKZVSAYVCRDM-UPJWGTAASA-N 2 2 289.395 0.358 20 0 CCADLP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1nncs1 ZINC001485955919 898518831 /nfs/dbraw/zinc/51/88/31/898518831.db2.gz RQSHLEWGRKFQGK-LLVKDONJSA-N 2 2 297.428 0.570 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC[C@@H](CO)[NH2+]CC1CCCCC1 ZINC001486038325 898625840 /nfs/dbraw/zinc/62/58/40/898625840.db2.gz MGPPMPNQAMGQEQ-AWEZNQCLSA-N 2 2 294.399 0.599 20 0 CCADLP C[C@H]1[C@H]([NH2+]CCCO)CCN1C(=O)CCn1cc[nH+]c1 ZINC001486088817 898650513 /nfs/dbraw/zinc/65/05/13/898650513.db2.gz YAUKCLXMFWHEAS-QWHCGFSZSA-N 2 2 280.372 0.235 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC1=CC[N@H+](CCF)CC1 ZINC001486511437 898916919 /nfs/dbraw/zinc/91/69/19/898916919.db2.gz RPQVCAKKJTZZSR-UHFFFAOYSA-N 2 2 280.347 0.909 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC1=CC[N@@H+](CCF)CC1 ZINC001486511437 898916925 /nfs/dbraw/zinc/91/69/25/898916925.db2.gz RPQVCAKKJTZZSR-UHFFFAOYSA-N 2 2 280.347 0.909 20 0 CCADLP C[NH+](C)Cc1cnc(C[N@@H+]2C[C@H](CO)[C@H](CCO)C2)s1 ZINC001364735100 899033014 /nfs/dbraw/zinc/03/30/14/899033014.db2.gz RCKVRWKVLUGXDZ-VXGBXAGGSA-N 2 2 299.440 0.627 20 0 CCADLP C[NH+](C)Cc1cnc(C[N@H+]2C[C@H](CO)[C@H](CCO)C2)s1 ZINC001364735100 899033022 /nfs/dbraw/zinc/03/30/22/899033022.db2.gz RCKVRWKVLUGXDZ-VXGBXAGGSA-N 2 2 299.440 0.627 20 0 CCADLP CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1nnc(C)o1)[NH+](C)C ZINC001410485863 899437708 /nfs/dbraw/zinc/43/77/08/899437708.db2.gz GSQDEWFBHSNHBK-PWSUYJOCSA-N 2 2 297.403 0.655 20 0 CCADLP CC(C)C[C@@H]1COCC[N@@H+]1CC(=O)N1CC[NH2+]CC1 ZINC001327086556 914364898 /nfs/dbraw/zinc/36/48/98/914364898.db2.gz DJHCMRCBMUEYLY-CYBMUJFWSA-N 2 2 269.389 0.165 20 0 CCADLP CC(C)C[C@@H]1COCC[N@H+]1CC(=O)N1CC[NH2+]CC1 ZINC001327086556 914364913 /nfs/dbraw/zinc/36/49/13/914364913.db2.gz DJHCMRCBMUEYLY-CYBMUJFWSA-N 2 2 269.389 0.165 20 0 CCADLP CCO[C@H](C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001134397506 899833189 /nfs/dbraw/zinc/83/31/89/899833189.db2.gz PFIGOMTXMZLFGV-CYBMUJFWSA-N 2 2 280.372 0.473 20 0 CCADLP C[N@H+](CCCO)C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001489334552 900470293 /nfs/dbraw/zinc/47/02/93/900470293.db2.gz ZCDMPHGMXKHWOJ-AWEZNQCLSA-N 2 2 294.399 0.578 20 0 CCADLP C[N@@H+](CCCO)C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001489334552 900470300 /nfs/dbraw/zinc/47/03/00/900470300.db2.gz ZCDMPHGMXKHWOJ-AWEZNQCLSA-N 2 2 294.399 0.578 20 0 CCADLP Cc1ncc(C[N@H+](C)CCCNC(=O)Cn2cc[nH+]c2)o1 ZINC001490286116 900591051 /nfs/dbraw/zinc/59/10/51/900591051.db2.gz GAFRUYUMBOSLMC-UHFFFAOYSA-N 2 2 291.355 0.818 20 0 CCADLP Cc1ncc(C[N@@H+](C)CCCNC(=O)Cn2cc[nH+]c2)o1 ZINC001490286116 900591062 /nfs/dbraw/zinc/59/10/62/900591062.db2.gz GAFRUYUMBOSLMC-UHFFFAOYSA-N 2 2 291.355 0.818 20 0 CCADLP CO[C@H](C)C[N@H+](C)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001399592594 915260554 /nfs/dbraw/zinc/26/05/54/915260554.db2.gz FXGYWAFWERAKHX-VXGBXAGGSA-N 2 2 282.388 0.671 20 0 CCADLP CO[C@H](C)C[N@@H+](C)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001399592594 915260571 /nfs/dbraw/zinc/26/05/71/915260571.db2.gz FXGYWAFWERAKHX-VXGBXAGGSA-N 2 2 282.388 0.671 20 0 CCADLP CO[C@H](C)C[N@H+](C)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001399592594 915260586 /nfs/dbraw/zinc/26/05/86/915260586.db2.gz FXGYWAFWERAKHX-VXGBXAGGSA-N 2 2 282.388 0.671 20 0 CCADLP CO[C@H](C)C[N@@H+](C)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001399592594 915260603 /nfs/dbraw/zinc/26/06/03/915260603.db2.gz FXGYWAFWERAKHX-VXGBXAGGSA-N 2 2 282.388 0.671 20 0 CCADLP C[C@@H](O)[C@H](C)[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001413051136 902588724 /nfs/dbraw/zinc/58/87/24/902588724.db2.gz VAGCQGAOODEIGS-QWHCGFSZSA-N 2 2 283.416 0.562 20 0 CCADLP C[NH+](C)C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH+](C)C ZINC001413413371 902932090 /nfs/dbraw/zinc/93/20/90/902932090.db2.gz AOOYRAFHEZBFFH-CHWSQXEVSA-N 3 2 293.415 0.150 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2nonc2C)C1 ZINC001398526671 914680869 /nfs/dbraw/zinc/68/08/69/914680869.db2.gz BPYSBKDSVPEPJP-LBPRGKRZSA-N 2 2 295.387 0.410 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2nonc2C)C1 ZINC001398526671 914680874 /nfs/dbraw/zinc/68/08/74/914680874.db2.gz BPYSBKDSVPEPJP-LBPRGKRZSA-N 2 2 295.387 0.410 20 0 CCADLP COCC[N@@H+]1CCC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001491126936 903386700 /nfs/dbraw/zinc/38/67/00/903386700.db2.gz WOAMCKSIIGWDKZ-GFCCVEGCSA-N 2 2 280.372 0.427 20 0 CCADLP COCC[N@H+]1CCC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001491126936 903386711 /nfs/dbraw/zinc/38/67/11/903386711.db2.gz WOAMCKSIIGWDKZ-GFCCVEGCSA-N 2 2 280.372 0.427 20 0 CCADLP CCOC(=O)C[NH+]1CCC2(CC[N@H+](CCN(C)C)C2)CC1 ZINC001276703097 903838849 /nfs/dbraw/zinc/83/88/49/903838849.db2.gz CMASPMPFLBULHV-UHFFFAOYSA-N 2 2 297.443 0.899 20 0 CCADLP CCOC(=O)C[NH+]1CCC2(CC[N@@H+](CCN(C)C)C2)CC1 ZINC001276703097 903838857 /nfs/dbraw/zinc/83/88/57/903838857.db2.gz CMASPMPFLBULHV-UHFFFAOYSA-N 2 2 297.443 0.899 20 0 CCADLP COCC[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001281458533 903915171 /nfs/dbraw/zinc/91/51/71/903915171.db2.gz UGIZAYNVYXYGAK-MNOVXSKESA-N 2 2 266.345 0.035 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC001330879996 903926251 /nfs/dbraw/zinc/92/62/51/903926251.db2.gz NYMLPIBRQUWEBF-RYUDHWBXSA-N 2 2 269.389 0.069 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC001330879996 903926263 /nfs/dbraw/zinc/92/62/63/903926263.db2.gz NYMLPIBRQUWEBF-RYUDHWBXSA-N 2 2 269.389 0.069 20 0 CCADLP C[NH+]1CCN(C2CC[NH+](Cc3ccno3)CC2)CC1 ZINC001331142794 903952995 /nfs/dbraw/zinc/95/29/95/903952995.db2.gz ADEGBJHNTUPKLH-UHFFFAOYSA-N 2 2 264.373 0.886 20 0 CCADLP COCCC[NH2+][C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001281408463 904279938 /nfs/dbraw/zinc/27/99/38/904279938.db2.gz QTVBRFSEFSXEBF-JSGCOSHPSA-N 2 2 294.399 0.815 20 0 CCADLP COCCC[NH2+][C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001281408463 904279955 /nfs/dbraw/zinc/27/99/55/904279955.db2.gz QTVBRFSEFSXEBF-JSGCOSHPSA-N 2 2 294.399 0.815 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C)([NH2+]CCCO)CC1 ZINC001281526764 904299800 /nfs/dbraw/zinc/29/98/00/904299800.db2.gz JITCFGFSPUSWCC-UHFFFAOYSA-N 2 2 294.399 0.614 20 0 CCADLP CCOCC[NH+]1CC([C@@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001282742178 904537990 /nfs/dbraw/zinc/53/79/90/904537990.db2.gz XPCUCEUHAYETAN-GFCCVEGCSA-N 2 2 280.372 0.356 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1C[C@@H]([NH2+]CCCO)C1 ZINC001316624764 904762334 /nfs/dbraw/zinc/76/23/34/904762334.db2.gz PWTPYSHOVVBSMA-UPJWGTAASA-N 2 2 294.399 0.455 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C[C@@H]([NH2+]CCCO)C1 ZINC001316624764 904762351 /nfs/dbraw/zinc/76/23/51/904762351.db2.gz PWTPYSHOVVBSMA-UPJWGTAASA-N 2 2 294.399 0.455 20 0 CCADLP CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCCC1)CC(N)=O ZINC001377311368 904780675 /nfs/dbraw/zinc/78/06/75/904780675.db2.gz HVGCOODCYHYKQY-UHFFFAOYSA-N 2 2 298.431 0.174 20 0 CCADLP CC[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCCCC1)CC(N)=O ZINC001377311368 904780686 /nfs/dbraw/zinc/78/06/86/904780686.db2.gz HVGCOODCYHYKQY-UHFFFAOYSA-N 2 2 298.431 0.174 20 0 CCADLP CC(C)[NH2+]CC1(O)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001377352907 904798573 /nfs/dbraw/zinc/79/85/73/904798573.db2.gz XKIOGDJPRXMSKL-UHFFFAOYSA-N 2 2 294.399 0.694 20 0 CCADLP CC(C)[NH2+]CC1(O)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001377352907 904798583 /nfs/dbraw/zinc/79/85/83/904798583.db2.gz XKIOGDJPRXMSKL-UHFFFAOYSA-N 2 2 294.399 0.694 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001377441536 904890544 /nfs/dbraw/zinc/89/05/44/904890544.db2.gz VWMZXGFKSMLCJL-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001377441536 904890560 /nfs/dbraw/zinc/89/05/60/904890560.db2.gz VWMZXGFKSMLCJL-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001377441536 904890579 /nfs/dbraw/zinc/89/05/79/904890579.db2.gz VWMZXGFKSMLCJL-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001377441536 904890597 /nfs/dbraw/zinc/89/05/97/904890597.db2.gz VWMZXGFKSMLCJL-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP CC[C@@H](C[N@@H+]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1)OC ZINC001377463227 904909484 /nfs/dbraw/zinc/90/94/84/904909484.db2.gz NSEOUGQOZKWADB-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP CC[C@@H](C[N@H+]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1)OC ZINC001377463227 904909499 /nfs/dbraw/zinc/90/94/99/904909499.db2.gz NSEOUGQOZKWADB-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001377511069 904954219 /nfs/dbraw/zinc/95/42/19/904954219.db2.gz CRSHBMDRVZYUMS-NWDGAFQWSA-N 2 2 282.388 0.482 20 0 CCADLP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]C[C@@H]1CCCOC1 ZINC001377537024 904980333 /nfs/dbraw/zinc/98/03/33/904980333.db2.gz WGYMEOABAXLUBI-KBPBESRZSA-N 2 2 294.399 0.794 20 0 CCADLP COCC[NH+]1CC(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001378030282 905356332 /nfs/dbraw/zinc/35/63/32/905356332.db2.gz WTCPCEIUOBXQKN-UHFFFAOYSA-N 2 2 280.372 0.358 20 0 CCADLP CC(C)(C)[C@@H](C[NH2+]CCO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001284629706 905403671 /nfs/dbraw/zinc/40/36/71/905403671.db2.gz FWUZTDSWVRDMJF-LLVKDONJSA-N 2 2 268.361 0.065 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N(C)C[C@H](C)[NH2+]C[C@H](C)O)c[nH+]1 ZINC001379253363 906095898 /nfs/dbraw/zinc/09/58/98/906095898.db2.gz SKQYUUAPWYPJOD-AAEUAGOBSA-N 2 2 296.415 0.744 20 0 CCADLP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1cccnc1 ZINC001379319870 906139477 /nfs/dbraw/zinc/13/94/77/906139477.db2.gz DOVRWYLAFOPNCV-CYBMUJFWSA-N 2 2 287.367 0.915 20 0 CCADLP C[C@@H](C[N@H+](C)CCF)NC(=O)CCc1c[nH+]cn1C ZINC001379790384 906481393 /nfs/dbraw/zinc/48/13/93/906481393.db2.gz UJXZEQDGVPCIAF-NSHDSACASA-N 2 2 270.352 0.759 20 0 CCADLP C[C@@H](C[N@@H+](C)CCF)NC(=O)CCc1c[nH+]cn1C ZINC001379790384 906481410 /nfs/dbraw/zinc/48/14/10/906481410.db2.gz UJXZEQDGVPCIAF-NSHDSACASA-N 2 2 270.352 0.759 20 0 CCADLP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001380018880 906595736 /nfs/dbraw/zinc/59/57/36/906595736.db2.gz UAFGAIRZAZYGSY-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP CCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001380018880 906595743 /nfs/dbraw/zinc/59/57/43/906595743.db2.gz UAFGAIRZAZYGSY-QWHCGFSZSA-N 2 2 298.431 0.043 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001380033953 906600953 /nfs/dbraw/zinc/60/09/53/906600953.db2.gz WFWPBLXSPCGGMP-JQWIXIFHSA-N 2 2 280.372 0.486 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001380033953 906600963 /nfs/dbraw/zinc/60/09/63/906600963.db2.gz WFWPBLXSPCGGMP-JQWIXIFHSA-N 2 2 280.372 0.486 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+]C[C@H]2CCCCO2)CC1 ZINC001380152044 906656439 /nfs/dbraw/zinc/65/64/39/906656439.db2.gz LOBBPKWVWKMIBL-GFCCVEGCSA-N 2 2 292.383 0.760 20 0 CCADLP Cc1[nH+]ccn1CCCC(=O)N(C)C1C[NH+](C[C@H](C)O)C1 ZINC001380240530 906688704 /nfs/dbraw/zinc/68/87/04/906688704.db2.gz FSYDWCWCLQYJGA-LBPRGKRZSA-N 2 2 294.399 0.495 20 0 CCADLP CC[C@H](C)C[NH+]1CC(O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001380641532 906876323 /nfs/dbraw/zinc/87/63/23/906876323.db2.gz IYGDRTMNZQEUIH-ZDUSSCGKSA-N 2 2 283.416 0.291 20 0 CCADLP CC[C@H](C)C[N@@H+]1CCOC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001380832006 906956895 /nfs/dbraw/zinc/95/68/95/906956895.db2.gz MTKFLWOFLOQGCA-UONOGXRCSA-N 2 2 294.399 0.746 20 0 CCADLP CC[C@H](C)C[N@H+]1CCOC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001380832006 906956908 /nfs/dbraw/zinc/95/69/08/906956908.db2.gz MTKFLWOFLOQGCA-UONOGXRCSA-N 2 2 294.399 0.746 20 0 CCADLP CC(C)C[NH2+][C@]1(CO)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001381050722 907056911 /nfs/dbraw/zinc/05/69/11/907056911.db2.gz YPMIJASFTGBSNJ-OAHLLOKOSA-N 2 2 294.399 0.551 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]2CCCC2)[nH]1 ZINC001381449035 907210262 /nfs/dbraw/zinc/21/02/62/907210262.db2.gz NEEARDKUAYTHQY-WDEREUQCSA-N 2 2 294.403 0.192 20 0 CCADLP CCCC[NH+]1CC(CCO)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001381668381 907361657 /nfs/dbraw/zinc/36/16/57/907361657.db2.gz YIHPKWCLYOBZFM-UHFFFAOYSA-N 2 2 294.399 0.626 20 0 CCADLP CC[C@H](C[NH2+][C@H](C)CNC(=O)Cc1[nH]cc[nH+]1)OC ZINC001491625014 907458314 /nfs/dbraw/zinc/45/83/14/907458314.db2.gz QFQHUUVKVLPTEO-GHMZBOCLSA-N 2 2 268.361 0.472 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1nccs1 ZINC001491694401 907506356 /nfs/dbraw/zinc/50/63/56/907506356.db2.gz QLKLZLLPSPGXMG-JTQLQIEISA-N 2 2 279.369 0.634 20 0 CCADLP C[NH+](C)CC1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001328723001 908703675 /nfs/dbraw/zinc/70/36/75/908703675.db2.gz YBIUYQDTHAQQLT-GFCCVEGCSA-N 2 2 262.357 0.466 20 0 CCADLP O=C(NCCC[N@@H+](CCO)C1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001316921615 908848790 /nfs/dbraw/zinc/84/87/90/908848790.db2.gz ZWHOQWXNSLZLFH-CHWSQXEVSA-N 2 2 292.383 0.476 20 0 CCADLP O=C(NCCC[N@H+](CCO)C1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001316921615 908848802 /nfs/dbraw/zinc/84/88/02/908848802.db2.gz ZWHOQWXNSLZLFH-CHWSQXEVSA-N 2 2 292.383 0.476 20 0 CCADLP O=C(NCCC[N@@H+](CCO)C1CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001316921615 908848815 /nfs/dbraw/zinc/84/88/15/908848815.db2.gz ZWHOQWXNSLZLFH-CHWSQXEVSA-N 2 2 292.383 0.476 20 0 CCADLP O=C(NCCC[N@H+](CCO)C1CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001316921615 908848831 /nfs/dbraw/zinc/84/88/31/908848831.db2.gz ZWHOQWXNSLZLFH-CHWSQXEVSA-N 2 2 292.383 0.476 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001338417274 921458609 /nfs/dbraw/zinc/45/86/09/921458609.db2.gz CHICWMVTYUFJJU-FZMZJTMJSA-N 2 2 264.373 0.243 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001338417274 921458615 /nfs/dbraw/zinc/45/86/15/921458615.db2.gz CHICWMVTYUFJJU-FZMZJTMJSA-N 2 2 264.373 0.243 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCc2cncn2C1)C1CC1 ZINC001338417274 921458624 /nfs/dbraw/zinc/45/86/24/921458624.db2.gz CHICWMVTYUFJJU-FZMZJTMJSA-N 2 2 264.373 0.243 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCc2cncn2C1)C1CC1 ZINC001338417274 921458627 /nfs/dbraw/zinc/45/86/27/921458627.db2.gz CHICWMVTYUFJJU-FZMZJTMJSA-N 2 2 264.373 0.243 20 0 CCADLP Cc1cnc(C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C)o1 ZINC001317264457 909101134 /nfs/dbraw/zinc/10/11/34/909101134.db2.gz IOUNPNHZBGJINX-SNVBAGLBSA-N 2 2 268.361 0.529 20 0 CCADLP CCC[N@H+](CCNC(=O)Cn1cc[nH+]c1)C[C@@H](C)O ZINC001317544913 909312418 /nfs/dbraw/zinc/31/24/18/909312418.db2.gz AJVLCINSQRSDAG-GFCCVEGCSA-N 2 2 268.361 0.092 20 0 CCADLP CCC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)C[C@@H](C)O ZINC001317544913 909312440 /nfs/dbraw/zinc/31/24/40/909312440.db2.gz AJVLCINSQRSDAG-GFCCVEGCSA-N 2 2 268.361 0.092 20 0 CCADLP CN(CC[NH2+]Cc1csnn1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001317618029 909408355 /nfs/dbraw/zinc/40/83/55/909408355.db2.gz CNIRPBYVEICXNS-LLVKDONJSA-N 2 2 283.401 0.180 20 0 CCADLP CN(CC[NH2+]Cc1csnn1)C(=O)[C@H]1CCC[N@H+]1C ZINC001317618029 909408362 /nfs/dbraw/zinc/40/83/62/909408362.db2.gz CNIRPBYVEICXNS-LLVKDONJSA-N 2 2 283.401 0.180 20 0 CCADLP C[C@H](CC(=O)N(C)CC[NH2+]C[C@H]1CCOC1)n1cc[nH+]c1 ZINC001317636516 909431520 /nfs/dbraw/zinc/43/15/20/909431520.db2.gz PVAKEFZTSVFBJB-ZIAGYGMSSA-N 2 2 294.399 0.919 20 0 CCADLP CN(CC[NH2+]CC[C@H]1CCOC1)C(=O)Cc1c[nH+]cn1C ZINC001317655361 909452124 /nfs/dbraw/zinc/45/21/24/909452124.db2.gz QBHIAOOEDXKQLR-ZDUSSCGKSA-N 2 2 294.399 0.437 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC1(C[NH2+]CCF)CCCC1 ZINC001318656065 909851888 /nfs/dbraw/zinc/85/18/88/909851888.db2.gz OHSJQIMWHDNBNR-UHFFFAOYSA-N 2 2 268.336 0.940 20 0 CCADLP COC[C@H](C)[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001389691281 910033912 /nfs/dbraw/zinc/03/39/12/910033912.db2.gz MRKHVOCEGJFFRP-AAEUAGOBSA-N 2 2 280.372 0.402 20 0 CCADLP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnsn2)C1)[NH+](C)C ZINC001389867417 910123168 /nfs/dbraw/zinc/12/31/68/910123168.db2.gz HZQAFBFESRHSJT-CKYFFXLPSA-N 2 2 297.428 0.615 20 0 CCADLP C[C@@H](O)CCC[NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001319551980 910202267 /nfs/dbraw/zinc/20/22/67/910202267.db2.gz PBOVKTPPTSNJAY-NWDGAFQWSA-N 2 2 282.388 0.550 20 0 CCADLP C[C@H](C[NH2+]CCCF)N(C)C(=O)Cn1cc[nH+]c1 ZINC001319593025 910217083 /nfs/dbraw/zinc/21/70/83/910217083.db2.gz LJRFUKRZSONTQV-LLVKDONJSA-N 2 2 256.325 0.679 20 0 CCADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]C[C@@H]1CCOC1 ZINC001390457763 910432255 /nfs/dbraw/zinc/43/22/55/910432255.db2.gz MLNMSFGIVMHCLT-STQMWFEESA-N 2 2 280.372 0.404 20 0 CCADLP CCC[NH2+]C[C@@H](O)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001320230357 910543972 /nfs/dbraw/zinc/54/39/72/910543972.db2.gz IUVFITKRPZHWGL-CYBMUJFWSA-N 2 2 294.399 0.239 20 0 CCADLP CC[NH2+]CC[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001320501616 910710284 /nfs/dbraw/zinc/71/02/84/910710284.db2.gz SCLKOYANCRGCKB-NSHDSACASA-N 2 2 252.362 0.857 20 0 CCADLP COC(C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1)OC ZINC001320538860 910728789 /nfs/dbraw/zinc/72/87/89/910728789.db2.gz SPFNRTRPXHTUJQ-ZDUSSCGKSA-N 2 2 271.405 0.317 20 0 CCADLP COC(C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1)OC ZINC001320538860 910728812 /nfs/dbraw/zinc/72/88/12/910728812.db2.gz SPFNRTRPXHTUJQ-ZDUSSCGKSA-N 2 2 271.405 0.317 20 0 CCADLP CNC(=O)C[NH2+]CC[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001320563742 910744196 /nfs/dbraw/zinc/74/41/96/910744196.db2.gz PFOMCKIUSAMNIP-NEPJUHHUSA-N 2 2 295.387 0.065 20 0 CCADLP CCC[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C[C@H]1CCOC1 ZINC001391132816 910899776 /nfs/dbraw/zinc/89/97/76/910899776.db2.gz CFNQOKJREQNYEG-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP CCC[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C[C@H]1CCOC1 ZINC001391132816 910899783 /nfs/dbraw/zinc/89/97/83/910899783.db2.gz CFNQOKJREQNYEG-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP CCN(CC[NH2+]CCCF)C(=O)Cc1c[nH+]cn1C ZINC001320891881 910921008 /nfs/dbraw/zinc/92/10/08/910921008.db2.gz VDUDRWYUJVWKMX-UHFFFAOYSA-N 2 2 270.352 0.760 20 0 CCADLP C[C@H](O)C[NH+]1CC(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001391514741 911192401 /nfs/dbraw/zinc/19/24/01/911192401.db2.gz FQYMYAIGBXSRGE-LBPRGKRZSA-N 2 2 280.372 0.092 20 0 CCADLP Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C2CCC2)o1 ZINC001392479688 911850681 /nfs/dbraw/zinc/85/06/81/911850681.db2.gz GPZWXZGAQGREIN-SNVBAGLBSA-N 2 2 295.387 0.457 20 0 CCADLP Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)o1 ZINC001392479688 911850689 /nfs/dbraw/zinc/85/06/89/911850689.db2.gz GPZWXZGAQGREIN-SNVBAGLBSA-N 2 2 295.387 0.457 20 0 CCADLP Cc1oncc1C[NH2+]C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001392521703 911883985 /nfs/dbraw/zinc/88/39/85/911883985.db2.gz WYMAJFWREPEURI-SECBINFHSA-N 2 2 277.328 0.543 20 0 CCADLP Cc1nonc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001392548898 911921021 /nfs/dbraw/zinc/92/10/21/911921021.db2.gz GSPVSGKSQLZFKK-CABZTGNLSA-N 2 2 281.360 0.067 20 0 CCADLP Cc1nonc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001392548898 911921040 /nfs/dbraw/zinc/92/10/40/911921040.db2.gz GSPVSGKSQLZFKK-CABZTGNLSA-N 2 2 281.360 0.067 20 0 CCADLP COCC[N@H+](C)C[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001392699199 912096631 /nfs/dbraw/zinc/09/66/31/912096631.db2.gz DDEVSEDAOKNNNN-STQMWFEESA-N 2 2 282.388 0.917 20 0 CCADLP COCC[N@@H+](C)C[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001392699199 912096647 /nfs/dbraw/zinc/09/66/47/912096647.db2.gz DDEVSEDAOKNNNN-STQMWFEESA-N 2 2 282.388 0.917 20 0 CCADLP C[NH+]1CCC(ONC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001328309493 915095528 /nfs/dbraw/zinc/09/55/28/915095528.db2.gz CLBQQRLVZMPOLF-UHFFFAOYSA-N 2 2 252.318 0.484 20 0 CCADLP O=C1CC[C@@H](C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)O1 ZINC001328435727 915193921 /nfs/dbraw/zinc/19/39/21/915193921.db2.gz CKLCUDDJJVALGA-STQMWFEESA-N 2 2 268.357 0.223 20 0 CCADLP O=C1CC[C@@H](C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)O1 ZINC001328435727 915193936 /nfs/dbraw/zinc/19/39/36/915193936.db2.gz CKLCUDDJJVALGA-STQMWFEESA-N 2 2 268.357 0.223 20 0 CCADLP C[N@H+](CCNC(=O)CCn1cc[nH+]c1)C[C@H]1CCCOC1 ZINC001399560146 915228725 /nfs/dbraw/zinc/22/87/25/915228725.db2.gz ZGIJNQHRIFQXOS-CQSZACIVSA-N 2 2 294.399 0.748 20 0 CCADLP C[N@@H+](CCNC(=O)CCn1cc[nH+]c1)C[C@H]1CCCOC1 ZINC001399560146 915228737 /nfs/dbraw/zinc/22/87/37/915228737.db2.gz ZGIJNQHRIFQXOS-CQSZACIVSA-N 2 2 294.399 0.748 20 0 CCADLP Cc1cc(C[N@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)C2)sn1 ZINC001399650447 915291075 /nfs/dbraw/zinc/29/10/75/915291075.db2.gz CSVPLYLZSNMVFV-GFCCVEGCSA-N 2 2 296.440 0.951 20 0 CCADLP Cc1cc(C[N@@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)C2)sn1 ZINC001399650447 915291092 /nfs/dbraw/zinc/29/10/92/915291092.db2.gz CSVPLYLZSNMVFV-GFCCVEGCSA-N 2 2 296.440 0.951 20 0 CCADLP Cc1cc(C[NH+](C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)sn1 ZINC001399650447 915291108 /nfs/dbraw/zinc/29/11/08/915291108.db2.gz CSVPLYLZSNMVFV-GFCCVEGCSA-N 2 2 296.440 0.951 20 0 CCADLP Cc1cc(C[NH+](C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)sn1 ZINC001399650447 915291126 /nfs/dbraw/zinc/29/11/26/915291126.db2.gz CSVPLYLZSNMVFV-GFCCVEGCSA-N 2 2 296.440 0.951 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001328645844 915328982 /nfs/dbraw/zinc/32/89/82/915328982.db2.gz BTRGTSAGSQIOAJ-IJLUTSLNSA-N 2 2 262.357 0.784 20 0 CCADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)C[C@H]1CCCOC1 ZINC001399805902 915388355 /nfs/dbraw/zinc/38/83/55/915388355.db2.gz DRVNQJRZXXPONF-CQSZACIVSA-N 2 2 294.399 0.748 20 0 CCADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)C[C@H]1CCCOC1 ZINC001399805902 915388371 /nfs/dbraw/zinc/38/83/71/915388371.db2.gz DRVNQJRZXXPONF-CQSZACIVSA-N 2 2 294.399 0.748 20 0 CCADLP CCCN(C(=O)CC[NH+](C)CC)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001400161978 915594082 /nfs/dbraw/zinc/59/40/82/915594082.db2.gz ZQZFTPWYINCGSJ-ZDUSSCGKSA-N 2 2 298.431 0.126 20 0 CCADLP CCCN(C(=O)CC[NH+](C)CC)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001400161978 915594091 /nfs/dbraw/zinc/59/40/91/915594091.db2.gz ZQZFTPWYINCGSJ-ZDUSSCGKSA-N 2 2 298.431 0.126 20 0 CCADLP CCCN(C(=O)CC[N@H+](C)CC)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001400161978 915594105 /nfs/dbraw/zinc/59/41/05/915594105.db2.gz ZQZFTPWYINCGSJ-ZDUSSCGKSA-N 2 2 298.431 0.126 20 0 CCADLP CCCN(C(=O)CC[N@@H+](C)CC)[C@H]1CC[NH+](CC(N)=O)C1 ZINC001400161978 915594117 /nfs/dbraw/zinc/59/41/17/915594117.db2.gz ZQZFTPWYINCGSJ-ZDUSSCGKSA-N 2 2 298.431 0.126 20 0 CCADLP C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)[C@@H](C)[NH2+]CCCO ZINC001329044461 915619874 /nfs/dbraw/zinc/61/98/74/915619874.db2.gz FITRPEVBTVWGOV-GHMZBOCLSA-N 2 2 268.361 0.208 20 0 CCADLP C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)[C@@H](C)[NH2+]CCCO ZINC001329044461 915619881 /nfs/dbraw/zinc/61/98/81/915619881.db2.gz FITRPEVBTVWGOV-GHMZBOCLSA-N 2 2 268.361 0.208 20 0 CCADLP CC[C@@H]1C[N@H+](C[C@@H]2CCS(=O)(=O)C2)CC[C@@H]1[NH3+] ZINC001329499932 915965053 /nfs/dbraw/zinc/96/50/53/915965053.db2.gz WUXMQQBSBGMOAM-TUAOUCFPSA-N 2 2 260.403 0.480 20 0 CCADLP CC[C@@H]1C[N@@H+](C[C@@H]2CCS(=O)(=O)C2)CC[C@@H]1[NH3+] ZINC001329499932 915965065 /nfs/dbraw/zinc/96/50/65/915965065.db2.gz WUXMQQBSBGMOAM-TUAOUCFPSA-N 2 2 260.403 0.480 20 0 CCADLP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C[NH2+]CC(N)=O ZINC001401136782 916064947 /nfs/dbraw/zinc/06/49/47/916064947.db2.gz OVOGESAMLBJBQK-SECBINFHSA-N 2 2 289.339 0.004 20 0 CCADLP C[C@H](CC(=O)NC[C@H](O)C[NH2+]CC1CCC1)n1cc[nH+]c1 ZINC001401563946 916332119 /nfs/dbraw/zinc/33/21/19/916332119.db2.gz DRJSJIZIFHZBJZ-TZMCWYRMSA-N 2 2 294.399 0.701 20 0 CCADLP Cc1cc(C[NH2+]C[C@@H](C)NC(=O)CCn2cc[nH+]c2)on1 ZINC001401641804 916419922 /nfs/dbraw/zinc/41/99/22/916419922.db2.gz UJHQROULDMVRKN-GFCCVEGCSA-N 2 2 291.355 0.864 20 0 CCADLP CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)c1nc(C)no1)[NH+](C)C ZINC001401647510 916425036 /nfs/dbraw/zinc/42/50/36/916425036.db2.gz LLZWGBFGCJJONK-SCVCMEIPSA-N 2 2 297.403 0.874 20 0 CCADLP Cc1noc(C[NH2+]C[C@@H](C)NC(=O)CCC[NH+](C)C)n1 ZINC001401650324 916427337 /nfs/dbraw/zinc/42/73/37/916427337.db2.gz VPXPQVYJDSWNSX-SNVBAGLBSA-N 2 2 283.376 0.314 20 0 CCADLP C[N@H+](CCCCCC[NH3+])Cc1nnc2n1CCOC2 ZINC001330697939 916798680 /nfs/dbraw/zinc/79/86/80/916798680.db2.gz LXSKBIYBVLVJSN-UHFFFAOYSA-N 2 2 267.377 0.759 20 0 CCADLP C[N@@H+](CCCCCC[NH3+])Cc1nnc2n1CCOC2 ZINC001330697939 916798694 /nfs/dbraw/zinc/79/86/94/916798694.db2.gz LXSKBIYBVLVJSN-UHFFFAOYSA-N 2 2 267.377 0.759 20 0 CCADLP CC(C)[N@@H+]1CC[C@@](O)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001402292294 916935698 /nfs/dbraw/zinc/93/56/98/916935698.db2.gz QOOWHPIBMJKAJN-OAHLLOKOSA-N 2 2 294.399 0.314 20 0 CCADLP CC(C)[N@H+]1CC[C@@](O)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001402292294 916935708 /nfs/dbraw/zinc/93/57/08/916935708.db2.gz QOOWHPIBMJKAJN-OAHLLOKOSA-N 2 2 294.399 0.314 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)CO2 ZINC001402678735 917169210 /nfs/dbraw/zinc/16/92/10/917169210.db2.gz DAKXPLPOGRSXQP-UONOGXRCSA-N 2 2 295.427 0.840 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)CC[C@H]1CCC[N@H+]1C)CO2 ZINC001402678735 917169223 /nfs/dbraw/zinc/16/92/23/917169223.db2.gz DAKXPLPOGRSXQP-UONOGXRCSA-N 2 2 295.427 0.840 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH+](C)Cc1cnon1 ZINC001402684037 917173985 /nfs/dbraw/zinc/17/39/85/917173985.db2.gz TZBXIAMFIBBQER-UHFFFAOYSA-N 2 2 297.403 0.690 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N(C)CCC[NH+](C)Cc1cnon1 ZINC001402684037 917173998 /nfs/dbraw/zinc/17/39/98/917173998.db2.gz TZBXIAMFIBBQER-UHFFFAOYSA-N 2 2 297.403 0.690 20 0 CCADLP CC(C)[NH+](C)CC(=O)N(C)CCC[N@H+](C)Cc1cnon1 ZINC001402684037 917174009 /nfs/dbraw/zinc/17/40/09/917174009.db2.gz TZBXIAMFIBBQER-UHFFFAOYSA-N 2 2 297.403 0.690 20 0 CCADLP CC(C)[NH+](C)CC(=O)N(C)CCC[N@@H+](C)Cc1cnon1 ZINC001402684037 917174015 /nfs/dbraw/zinc/17/40/15/917174015.db2.gz TZBXIAMFIBBQER-UHFFFAOYSA-N 2 2 297.403 0.690 20 0 CCADLP Cc1[nH+]ccn1Cc1cn(Cc2c[nH+]cn2C)nn1 ZINC001331228872 917199402 /nfs/dbraw/zinc/19/94/02/917199402.db2.gz WFUDIOYTSFNUDG-UHFFFAOYSA-N 2 2 257.301 0.613 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@H](C)[NH2+]Cc1ccon1 ZINC001402853625 917292403 /nfs/dbraw/zinc/29/24/03/917292403.db2.gz QFGLXCNLZGXQCM-JTQLQIEISA-N 2 2 291.355 0.933 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[N@H+](C)C[C@@H]1CCOC1 ZINC001403180823 917563733 /nfs/dbraw/zinc/56/37/33/917563733.db2.gz IMCZCNFLTRYPFB-STQMWFEESA-N 2 2 294.399 0.436 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[N@@H+](C)C[C@@H]1CCOC1 ZINC001403180823 917563742 /nfs/dbraw/zinc/56/37/42/917563742.db2.gz IMCZCNFLTRYPFB-STQMWFEESA-N 2 2 294.399 0.436 20 0 CCADLP C[C@@H]1CC[C@@H](C[N@H+](C)CCNC(=O)CCn2cc[nH+]c2)O1 ZINC001403649800 917886942 /nfs/dbraw/zinc/88/69/42/917886942.db2.gz YKXJHBKFZBLJSF-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@@H]1CC[C@@H](C[N@@H+](C)CCNC(=O)CCn2cc[nH+]c2)O1 ZINC001403649800 917886957 /nfs/dbraw/zinc/88/69/57/917886957.db2.gz YKXJHBKFZBLJSF-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@@H+]1C[C@H]1CCOC1 ZINC001404013994 918174141 /nfs/dbraw/zinc/17/41/41/918174141.db2.gz CWCANQJFJCYDCB-ZIAGYGMSSA-N 2 2 292.383 0.500 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@H+]1C[C@H]1CCOC1 ZINC001404013994 918174155 /nfs/dbraw/zinc/17/41/55/918174155.db2.gz CWCANQJFJCYDCB-ZIAGYGMSSA-N 2 2 292.383 0.500 20 0 CCADLP C[C@H](O)C[N@H+](CCNC(=O)CCc1c[nH+]cn1C)C1CC1 ZINC001404282661 918282076 /nfs/dbraw/zinc/28/20/76/918282076.db2.gz ISLJNYCIZNCJMQ-LBPRGKRZSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@H](O)C[N@@H+](CCNC(=O)CCc1c[nH+]cn1C)C1CC1 ZINC001404282661 918282090 /nfs/dbraw/zinc/28/20/90/918282090.db2.gz ISLJNYCIZNCJMQ-LBPRGKRZSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@H](O)[C@H](O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001332701409 918393095 /nfs/dbraw/zinc/39/30/95/918393095.db2.gz VTEUSDWDMVFMLP-YNEHKIRRSA-N 2 2 267.373 0.416 20 0 CCADLP C[C@H](O)[C@H](O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001332701409 918393112 /nfs/dbraw/zinc/39/31/12/918393112.db2.gz VTEUSDWDMVFMLP-YNEHKIRRSA-N 2 2 267.373 0.416 20 0 CCADLP CC[C@H](C(=O)NC1C[NH+]([C@H](C)COC)C1)[NH+](CC)CC ZINC001404804917 918470157 /nfs/dbraw/zinc/47/01/57/918470157.db2.gz PTODUHDAWZEKSR-TZMCWYRMSA-N 2 2 285.432 0.942 20 0 CCADLP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CCn1cccn1 ZINC001405340604 918731058 /nfs/dbraw/zinc/73/10/58/918731058.db2.gz YFAUKJGAWXSRHX-LBPRGKRZSA-N 2 2 290.371 0.333 20 0 CCADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]C[C@@H]1CCCCO1 ZINC001405370581 918742156 /nfs/dbraw/zinc/74/21/56/918742156.db2.gz PKPVPEOLGBLABC-KBPBESRZSA-N 2 2 294.399 0.937 20 0 CCADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cncn1C ZINC001405364155 918743847 /nfs/dbraw/zinc/74/38/47/918743847.db2.gz JHBLFYVUAGDELL-GFCCVEGCSA-N 2 2 290.371 0.301 20 0 CCADLP CC(C)[NH2+]CCOCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001333248194 918749742 /nfs/dbraw/zinc/74/97/42/918749742.db2.gz APDYDILVLOZNQP-UHFFFAOYSA-N 2 2 268.361 0.425 20 0 CCADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)CCCC[NH+](C)C ZINC001333397235 918865479 /nfs/dbraw/zinc/86/54/79/918865479.db2.gz HHWNVFRCQJUNAS-NSHDSACASA-N 2 2 268.361 0.302 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)CCc1[nH+]ccn1C ZINC001405849071 918944807 /nfs/dbraw/zinc/94/48/07/918944807.db2.gz OGGIQOWWAYTWAY-OLZOCXBDSA-N 2 2 296.415 0.824 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)NCCC(C)(C)[NH3+])c1 ZINC001333599854 919030437 /nfs/dbraw/zinc/03/04/37/919030437.db2.gz SQDBIJZTAWCTPA-UHFFFAOYSA-N 2 2 253.350 0.389 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)[C@H](C)C(N)=O ZINC001406099574 919046336 /nfs/dbraw/zinc/04/63/36/919046336.db2.gz DHDNPZJFBSFMIS-OLZOCXBDSA-N 2 2 298.431 0.125 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)[C@H](C)C(N)=O ZINC001406099574 919046347 /nfs/dbraw/zinc/04/63/47/919046347.db2.gz DHDNPZJFBSFMIS-OLZOCXBDSA-N 2 2 298.431 0.125 20 0 CCADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)[C@H](C)C(N)=O ZINC001406099574 919046356 /nfs/dbraw/zinc/04/63/56/919046356.db2.gz DHDNPZJFBSFMIS-OLZOCXBDSA-N 2 2 298.431 0.125 20 0 CCADLP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)[C@H](C)C(N)=O ZINC001406099574 919046369 /nfs/dbraw/zinc/04/63/69/919046369.db2.gz DHDNPZJFBSFMIS-OLZOCXBDSA-N 2 2 298.431 0.125 20 0 CCADLP C[C@H]([NH2+]CCn1cc[nH+]c1)[C@@H]1CCS(=O)(=O)C1 ZINC001333697832 919106919 /nfs/dbraw/zinc/10/69/19/919106919.db2.gz REDKEDCETUUBST-WDEREUQCSA-N 2 2 257.359 0.296 20 0 CCADLP CCc1cc(N[C@H](CO)C[NH+](C)C)nc(CC)[nH+]1 ZINC001333718275 919116730 /nfs/dbraw/zinc/11/67/30/919116730.db2.gz RKCYJGMAFIXGND-NSHDSACASA-N 2 2 252.362 0.936 20 0 CCADLP C[C@@H](C[NH2+][C@@H](C)c1csnn1)NC(=O)C[NH+]1CCCC1 ZINC001406565204 919348125 /nfs/dbraw/zinc/34/81/25/919348125.db2.gz VBHILNLKMTUYMJ-QWRGUYRKSA-N 2 2 297.428 0.789 20 0 CCADLP [NH3+]C[C@@H]1CCCCN1C(=O)NCCn1cc[nH+]c1 ZINC001334162757 919395802 /nfs/dbraw/zinc/39/58/02/919395802.db2.gz WWPFISFEIQDOFE-NSHDSACASA-N 2 2 251.334 0.406 20 0 CCADLP C[NH+](C)CC1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001334434647 919581191 /nfs/dbraw/zinc/58/11/91/919581191.db2.gz PCUSEBNRWSFWNC-UHFFFAOYSA-N 2 2 250.346 0.707 20 0 CCADLP CC(C)C[NH+]1CCC(CO)(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001408279729 920122340 /nfs/dbraw/zinc/12/23/40/920122340.db2.gz PLDFOJFTXTUWDR-UHFFFAOYSA-N 2 2 294.399 0.551 20 0 CCADLP CCO[C@H](CNC(=O)NCc1ccc[nH+]c1N)C[NH+](C)C ZINC001414720562 920486010 /nfs/dbraw/zinc/48/60/10/920486010.db2.gz FPNRZLUAFZAMOB-GFCCVEGCSA-N 2 2 295.387 0.430 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1CCC([NH3+])CC1 ZINC001336686197 920926678 /nfs/dbraw/zinc/92/66/78/920926678.db2.gz CPZBGSOEEHLCQB-KPPDAEKUSA-N 2 2 250.346 0.974 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CCC([NH3+])CC1 ZINC001336686197 920926691 /nfs/dbraw/zinc/92/66/91/920926691.db2.gz CPZBGSOEEHLCQB-KPPDAEKUSA-N 2 2 250.346 0.974 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCCC[N@@H+]1CCCO ZINC001418160046 921867611 /nfs/dbraw/zinc/86/76/11/921867611.db2.gz VGAJPJPKXIZDAE-CYBMUJFWSA-N 2 2 294.399 0.614 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCCC[N@H+]1CCCO ZINC001418160046 921867624 /nfs/dbraw/zinc/86/76/24/921867624.db2.gz VGAJPJPKXIZDAE-CYBMUJFWSA-N 2 2 294.399 0.614 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H](C)C[NH2+]1 ZINC001340129160 921970376 /nfs/dbraw/zinc/97/03/76/921970376.db2.gz RYIORWWLXBSASP-UTUOFQBUSA-N 2 2 262.357 0.654 20 0 CCADLP Cc1csc(C[NH2+][C@@H](C)CNC(=O)Cn2cc[nH+]c2)n1 ZINC001418318831 922021577 /nfs/dbraw/zinc/02/15/77/922021577.db2.gz CEJKFJNQPSPGRE-JTQLQIEISA-N 2 2 293.396 0.943 20 0 CCADLP CC(C)(C(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1c[nH+]c[nH]1 ZINC001340268084 922033559 /nfs/dbraw/zinc/03/35/59/922033559.db2.gz XNGRRUFJQXPEID-AWEZNQCLSA-N 2 2 262.357 0.899 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[N@@H+](C)C/C=C/Cl ZINC001418519199 922208317 /nfs/dbraw/zinc/20/83/17/922208317.db2.gz JDQRJMVBJIRBAX-ONEGZZNKSA-N 2 2 270.764 0.992 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[N@H+](C)C/C=C/Cl ZINC001418519199 922208328 /nfs/dbraw/zinc/20/83/28/922208328.db2.gz JDQRJMVBJIRBAX-ONEGZZNKSA-N 2 2 270.764 0.992 20 0 CCADLP C[N@H+](CCNC(=O)Cn1cc[nH+]c1)C[C@H]1C[C@]12CCOC2 ZINC001418526545 922220183 /nfs/dbraw/zinc/22/01/83/922220183.db2.gz AIUMEHWLXQPSMQ-HIFRSBDPSA-N 2 2 292.383 0.358 20 0 CCADLP C[N@@H+](CCNC(=O)Cn1cc[nH+]c1)C[C@H]1C[C@]12CCOC2 ZINC001418526545 922220197 /nfs/dbraw/zinc/22/01/97/922220197.db2.gz AIUMEHWLXQPSMQ-HIFRSBDPSA-N 2 2 292.383 0.358 20 0 CCADLP C[NH2+]CCOCCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001340835426 922233612 /nfs/dbraw/zinc/23/36/12/922233612.db2.gz YXSQVAZKZUAHSD-LLVKDONJSA-N 2 2 268.361 0.283 20 0 CCADLP C[NH2+]CCOCCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001340835426 922233621 /nfs/dbraw/zinc/23/36/21/922233621.db2.gz YXSQVAZKZUAHSD-LLVKDONJSA-N 2 2 268.361 0.283 20 0 CCADLP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1ccccn1 ZINC001418586732 922283460 /nfs/dbraw/zinc/28/34/60/922283460.db2.gz ZODOIRWQONMSEE-UHFFFAOYSA-N 2 2 287.367 0.916 20 0 CCADLP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1ccccn1 ZINC001418586732 922283476 /nfs/dbraw/zinc/28/34/76/922283476.db2.gz ZODOIRWQONMSEE-UHFFFAOYSA-N 2 2 287.367 0.916 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCCC[C@H]1C[N@H+](C)CCO ZINC001418823674 922438777 /nfs/dbraw/zinc/43/87/77/922438777.db2.gz ZJMVGDBNMJGWNP-ZDUSSCGKSA-N 2 2 294.399 0.268 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCCC[C@H]1C[N@@H+](C)CCO ZINC001418823674 922438786 /nfs/dbraw/zinc/43/87/86/922438786.db2.gz ZJMVGDBNMJGWNP-ZDUSSCGKSA-N 2 2 294.399 0.268 20 0 CCADLP CCC[N@H+](C)CCC(=O)NC1C[NH+](CCn2cccn2)C1 ZINC001418996625 922554511 /nfs/dbraw/zinc/55/45/11/922554511.db2.gz UGXOAPCFQBZHFU-UHFFFAOYSA-N 2 2 293.415 0.415 20 0 CCADLP CCC[N@@H+](C)CCC(=O)NC1C[NH+](CCn2cccn2)C1 ZINC001418996625 922554520 /nfs/dbraw/zinc/55/45/20/922554520.db2.gz UGXOAPCFQBZHFU-UHFFFAOYSA-N 2 2 293.415 0.415 20 0 CCADLP C[C@@]1(C(=O)NCC[NH+]2CCC([NH3+])CC2)C=CCC1 ZINC001341691371 922631785 /nfs/dbraw/zinc/63/17/85/922631785.db2.gz YFFRSSXDSMQFNW-CQSZACIVSA-N 2 2 251.374 0.882 20 0 CCADLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C[NH3+] ZINC001341897606 922713005 /nfs/dbraw/zinc/71/30/05/922713005.db2.gz HKTSLDCVRQMEOY-NXEZZACHSA-N 2 2 250.346 0.741 20 0 CCADLP COCC[NH2+]C1CCN(C(=O)C[C@H]([NH3+])C(F)F)CC1 ZINC001342052042 922779825 /nfs/dbraw/zinc/77/98/25/922779825.db2.gz SJXKHOYVRLRJPX-JTQLQIEISA-N 2 2 279.331 0.196 20 0 CCADLP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C[C@@H]([NH3+])C(F)F)C2 ZINC001342251273 922876129 /nfs/dbraw/zinc/87/61/29/922876129.db2.gz URYKVLRDNZFPAC-FXAINCCUSA-N 2 2 261.316 0.427 20 0 CCADLP CCN1C[C@H](C[N@@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)OC1=O ZINC001342273580 922886663 /nfs/dbraw/zinc/88/66/63/922886663.db2.gz LKMSLMGJMWRWSN-SGMGOOAPSA-N 2 2 267.373 0.711 20 0 CCADLP CCN1C[C@H](C[N@H+]2C[C@@H]3C[NH+](C)C[C@]3(C)C2)OC1=O ZINC001342273580 922886668 /nfs/dbraw/zinc/88/66/68/922886668.db2.gz LKMSLMGJMWRWSN-SGMGOOAPSA-N 2 2 267.373 0.711 20 0 CCADLP CCN1C[C@H](C[NH+]2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)OC1=O ZINC001342273580 922886684 /nfs/dbraw/zinc/88/66/84/922886684.db2.gz LKMSLMGJMWRWSN-SGMGOOAPSA-N 2 2 267.373 0.711 20 0 CCADLP CCN1C[C@H](C[NH+]2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)OC1=O ZINC001342273580 922886699 /nfs/dbraw/zinc/88/66/99/922886699.db2.gz LKMSLMGJMWRWSN-SGMGOOAPSA-N 2 2 267.373 0.711 20 0 CCADLP CC[C@@H](SC)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001342461214 922969030 /nfs/dbraw/zinc/96/90/30/922969030.db2.gz FNRRKYIRYHJASQ-LLVKDONJSA-N 2 2 259.419 0.667 20 0 CCADLP C[C@H](CC(=O)N1CCC[C@]([NH3+])(CO)C1)n1cc[nH+]c1 ZINC001342722068 923066625 /nfs/dbraw/zinc/06/66/25/923066625.db2.gz HAISXYDHSAOLQD-DGCLKSJQSA-N 2 2 266.345 0.146 20 0 CCADLP [NH3+]C[C@]12CC[C@H]1CCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001343011822 923167352 /nfs/dbraw/zinc/16/73/52/923167352.db2.gz MCBNGFNQZVGJHY-ICUOPCATSA-N 2 2 260.341 0.853 20 0 CCADLP [NH3+]C[C@]12CC[C@H]1CCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001343011822 923167361 /nfs/dbraw/zinc/16/73/61/923167361.db2.gz MCBNGFNQZVGJHY-ICUOPCATSA-N 2 2 260.341 0.853 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@H]([NH3+])C[C@@H](C)CC)CC1 ZINC001343372159 923287815 /nfs/dbraw/zinc/28/78/15/923287815.db2.gz QBLHSBYIOYJTIJ-UONOGXRCSA-N 2 2 285.432 0.931 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC1CC[NH+](C)CC1 ZINC001343527781 923364617 /nfs/dbraw/zinc/36/46/17/923364617.db2.gz XHINYRKENDSESQ-UHFFFAOYSA-N 2 2 250.346 0.563 20 0 CCADLP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001343706913 923431984 /nfs/dbraw/zinc/43/19/84/923431984.db2.gz FQPCXVRLLBCOSI-NWDGAFQWSA-N 2 2 250.346 0.872 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC001343736456 923453211 /nfs/dbraw/zinc/45/32/11/923453211.db2.gz KASPUGBLSMKGTO-MUHKLVGJSA-N 2 2 295.427 0.721 20 0 CCADLP C[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C[C@H]1CCCCO1 ZINC001420318258 923537474 /nfs/dbraw/zinc/53/74/74/923537474.db2.gz MENVFZIPDKNANS-GFCCVEGCSA-N 2 2 280.372 0.569 20 0 CCADLP C[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C[C@H]1CCCCO1 ZINC001420318258 923537482 /nfs/dbraw/zinc/53/74/82/923537482.db2.gz MENVFZIPDKNANS-GFCCVEGCSA-N 2 2 280.372 0.569 20 0 CCADLP CCc1nnc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001420391693 923615368 /nfs/dbraw/zinc/61/53/68/923615368.db2.gz CTIUJXCWWMWOLZ-WDEREUQCSA-N 2 2 295.387 0.321 20 0 CCADLP CCc1nnc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)o1 ZINC001420391693 923615380 /nfs/dbraw/zinc/61/53/80/923615380.db2.gz CTIUJXCWWMWOLZ-WDEREUQCSA-N 2 2 295.387 0.321 20 0 CCADLP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH2+]Cc1csnn1 ZINC001420492281 923716372 /nfs/dbraw/zinc/71/63/72/923716372.db2.gz MUXMEEAFNJJDIF-JTQLQIEISA-N 2 2 285.417 0.474 20 0 CCADLP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[NH2+]Cc1csnn1 ZINC001420492281 923716381 /nfs/dbraw/zinc/71/63/81/923716381.db2.gz MUXMEEAFNJJDIF-JTQLQIEISA-N 2 2 285.417 0.474 20 0 CCADLP C[C@H](C[N@@H+](C)C[C@H](C)O)NC(=O)c1cccc2[nH+]ccn21 ZINC001420602211 923813107 /nfs/dbraw/zinc/81/31/07/923813107.db2.gz SABHCDXVRIZZKM-NEPJUHHUSA-N 2 2 290.367 0.765 20 0 CCADLP C[C@H](C[N@H+](C)C[C@H](C)O)NC(=O)c1cccc2[nH+]ccn21 ZINC001420602211 923813115 /nfs/dbraw/zinc/81/31/15/923813115.db2.gz SABHCDXVRIZZKM-NEPJUHHUSA-N 2 2 290.367 0.765 20 0 CCADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001420813276 923952936 /nfs/dbraw/zinc/95/29/36/923952936.db2.gz BMNLZTJHRZHWCK-TZMCWYRMSA-N 2 2 294.399 0.646 20 0 CCADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](C[C@@H](C)O)C1 ZINC001420813276 923952950 /nfs/dbraw/zinc/95/29/50/923952950.db2.gz BMNLZTJHRZHWCK-TZMCWYRMSA-N 2 2 294.399 0.646 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CC[N@@H+]1C[C@H]1CCOC1 ZINC001420897325 924004470 /nfs/dbraw/zinc/00/44/70/924004470.db2.gz RLLSOBBTEZWCCN-OLZOCXBDSA-N 2 2 292.383 0.488 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CC[N@H+]1C[C@H]1CCOC1 ZINC001420897325 924004485 /nfs/dbraw/zinc/00/44/85/924004485.db2.gz RLLSOBBTEZWCCN-OLZOCXBDSA-N 2 2 292.383 0.488 20 0 CCADLP CC(C)C[C@H](C(=O)N[C@@H]1CC[N@H+](CCO)C1)n1cc[nH+]c1 ZINC001421270033 924251632 /nfs/dbraw/zinc/25/16/32/924251632.db2.gz BCNPRJVBCZJSEC-ZIAGYGMSSA-N 2 2 294.399 0.653 20 0 CCADLP CC(C)C[C@H](C(=O)N[C@@H]1CC[N@@H+](CCO)C1)n1cc[nH+]c1 ZINC001421270033 924251645 /nfs/dbraw/zinc/25/16/45/924251645.db2.gz BCNPRJVBCZJSEC-ZIAGYGMSSA-N 2 2 294.399 0.653 20 0 CCADLP CNc1cc(CNC(=O)NC[C@H](C)[NH+](C)C)cc[nH+]1 ZINC001346667087 924286235 /nfs/dbraw/zinc/28/62/35/924286235.db2.gz XCNVMZMZQKIUIK-JTQLQIEISA-N 2 2 265.361 0.873 20 0 CCADLP CN(CC[NH+]1CCCC1)C(=O)CCc1[nH+]ccn1C ZINC001348783979 924802651 /nfs/dbraw/zinc/80/26/51/924802651.db2.gz XFKDYZXQGLBAEQ-UHFFFAOYSA-N 2 2 264.373 0.907 20 0 CCADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001349822428 925070833 /nfs/dbraw/zinc/07/08/33/925070833.db2.gz ANZNGNCVUCYCKR-KLPPZKSPSA-N 2 2 250.346 0.799 20 0 CCADLP C[NH+](C)[C@H]1C[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001349822428 925070844 /nfs/dbraw/zinc/07/08/44/925070844.db2.gz ANZNGNCVUCYCKR-KLPPZKSPSA-N 2 2 250.346 0.799 20 0 CCADLP COC(=O)c1cnc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cn1 ZINC001351680036 925455484 /nfs/dbraw/zinc/45/54/84/925455484.db2.gz UDCWJUJDXLVTHL-ZDUSSCGKSA-N 2 2 264.329 0.434 20 0 CCADLP COC(=O)c1cnc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cn1 ZINC001351680036 925455489 /nfs/dbraw/zinc/45/54/89/925455489.db2.gz UDCWJUJDXLVTHL-ZDUSSCGKSA-N 2 2 264.329 0.434 20 0 CCADLP CC(C)([NH3+])CCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC001353126261 925735754 /nfs/dbraw/zinc/73/57/54/925735754.db2.gz KMNODKLAUFLGAV-ARJAWSKDSA-N 2 2 255.362 0.118 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)CNC(=O)C2([NH+](C)C)CCC2)o1 ZINC001480474040 925820574 /nfs/dbraw/zinc/82/05/74/925820574.db2.gz GROFOOSWPHXNPV-JTQLQIEISA-N 2 2 295.387 0.457 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2C[C@@H]([NH3+])C(C)(C)C2)c1 ZINC001353413662 925825632 /nfs/dbraw/zinc/82/56/32/925825632.db2.gz LIINVDORNJYRHA-LLVKDONJSA-N 2 2 265.361 0.341 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCC2([NH3+])CC2)C1 ZINC001353502385 925853634 /nfs/dbraw/zinc/85/36/34/925853634.db2.gz RPGJTCPMKZIBHN-JTQLQIEISA-N 2 2 263.345 0.410 20 0 CCADLP C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H]([NH3+])C(F)F ZINC001353549965 925868792 /nfs/dbraw/zinc/86/87/92/925868792.db2.gz ZBVRBHSVPGLBLP-KXUCPTDWSA-N 2 2 263.332 0.958 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001353623629 925887070 /nfs/dbraw/zinc/88/70/70/925887070.db2.gz SVXCTHVXBHPSDW-WRWGMCAJSA-N 2 2 262.357 0.910 20 0 CCADLP Cc1nc(N2CC([NH2+][C@@H]3CCOC3)C2)c(C)c(C)[nH+]1 ZINC001472888986 926186008 /nfs/dbraw/zinc/18/60/08/926186008.db2.gz PGAGIAZUWGBCHJ-GFCCVEGCSA-N 2 2 262.357 0.969 20 0 CCADLP [NH3+][C@H](CC(=O)N1CC[C@]2(C1)CCCC[NH2+]2)C(F)F ZINC001358322701 926674620 /nfs/dbraw/zinc/67/46/20/926674620.db2.gz PAWBXSIUGFHJKI-SKDRFNHKSA-N 2 2 261.316 0.714 20 0 CCADLP CC[NH+]1CC(O)(CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001421508159 926784311 /nfs/dbraw/zinc/78/43/11/926784311.db2.gz WMDKYJLNWMQGKS-UHFFFAOYSA-N 2 2 283.416 0.435 20 0 CCADLP C[C@H](C[NH2+]Cc1cnsn1)N(C)C(=O)CCC[NH+](C)C ZINC001421951706 927011632 /nfs/dbraw/zinc/01/16/32/927011632.db2.gz WYYKJHLLMSQBLA-LLVKDONJSA-N 2 2 299.444 0.816 20 0 CCADLP CO[C@@H](C)C[NH2+]CC(C)(C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001422478358 927306389 /nfs/dbraw/zinc/30/63/89/927306389.db2.gz ZPLWJOYDGSGNPO-ZDUSSCGKSA-N 2 2 296.415 0.992 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC001361946116 927466585 /nfs/dbraw/zinc/46/65/85/927466585.db2.gz QAIJNEDWZIJNPR-VXGBXAGGSA-N 2 2 292.383 0.097 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC001362070413 927583394 /nfs/dbraw/zinc/58/33/94/927583394.db2.gz SFOYAKPSZYIEQD-HUUCEWRRSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H](C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC001362070413 927583399 /nfs/dbraw/zinc/58/33/99/927583399.db2.gz SFOYAKPSZYIEQD-HUUCEWRRSA-N 2 2 297.443 0.944 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC001362079203 927591734 /nfs/dbraw/zinc/59/17/34/927591734.db2.gz MXERTMSFBMLUTE-CHWSQXEVSA-N 2 2 297.399 0.176 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N1CC[NH+]([C@H](C)CC(=O)OC)CC1 ZINC001362079203 927591743 /nfs/dbraw/zinc/59/17/43/927591743.db2.gz MXERTMSFBMLUTE-CHWSQXEVSA-N 2 2 297.399 0.176 20 0 CCADLP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]C[C@@H]1CCOC1 ZINC001423141244 927691358 /nfs/dbraw/zinc/69/13/58/927691358.db2.gz SHHYVRLUCULQIP-NEPJUHHUSA-N 2 2 280.372 0.425 20 0 CCADLP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1cnon1 ZINC001423166410 927704656 /nfs/dbraw/zinc/70/46/56/927704656.db2.gz LZUDLMWORYPAIY-NSHDSACASA-N 2 2 281.360 0.102 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@@H](CO)[NH2+]CC1CCCC1 ZINC001423231397 927756004 /nfs/dbraw/zinc/75/60/04/927756004.db2.gz HKZXVZWWNMKJBN-AWEZNQCLSA-N 2 2 294.399 0.599 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@@H](CO)[NH2+]CC1CCCC1 ZINC001423231397 927756011 /nfs/dbraw/zinc/75/60/11/927756011.db2.gz HKZXVZWWNMKJBN-AWEZNQCLSA-N 2 2 294.399 0.599 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)[NH2+]C/C=C/Cl ZINC001423287428 927791972 /nfs/dbraw/zinc/79/19/72/927791972.db2.gz LQJBXAYTNOXRLY-PBKGFPTLSA-N 2 2 286.763 0.080 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001423522232 927907596 /nfs/dbraw/zinc/90/75/96/927907596.db2.gz YIZMRHAMYIDHIH-ZDUSSCGKSA-N 2 2 296.415 0.512 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001423522232 927907606 /nfs/dbraw/zinc/90/76/06/927907606.db2.gz YIZMRHAMYIDHIH-ZDUSSCGKSA-N 2 2 296.415 0.512 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@]1(C)CC[N@H+](CCCO)C1 ZINC001423593614 927936125 /nfs/dbraw/zinc/93/61/25/927936125.db2.gz XPLPEAOFWLYXPT-AWEZNQCLSA-N 2 2 280.372 0.224 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@]1(C)CC[N@@H+](CCCO)C1 ZINC001423593614 927936128 /nfs/dbraw/zinc/93/61/28/927936128.db2.gz XPLPEAOFWLYXPT-AWEZNQCLSA-N 2 2 280.372 0.224 20 0 CCADLP CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001423794411 927984141 /nfs/dbraw/zinc/98/41/41/927984141.db2.gz PGEQXVOIAQDTLX-SMDDNHRTSA-N 2 2 280.372 0.161 20 0 CCADLP CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001423794411 927984150 /nfs/dbraw/zinc/98/41/50/927984150.db2.gz PGEQXVOIAQDTLX-SMDDNHRTSA-N 2 2 280.372 0.161 20 0 CCADLP CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001423794411 927984162 /nfs/dbraw/zinc/98/41/62/927984162.db2.gz PGEQXVOIAQDTLX-SMDDNHRTSA-N 2 2 280.372 0.161 20 0 CCADLP CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001423794411 927984170 /nfs/dbraw/zinc/98/41/70/927984170.db2.gz PGEQXVOIAQDTLX-SMDDNHRTSA-N 2 2 280.372 0.161 20 0 CCADLP CCN1CC[NH+]([C@H]2CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001424247348 928133816 /nfs/dbraw/zinc/13/38/16/928133816.db2.gz TUDJWICGGOTXNS-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP CC(C)C[NH2+]CC1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001424524453 928208954 /nfs/dbraw/zinc/20/89/54/928208954.db2.gz ANMARBZZICRSAC-UHFFFAOYSA-N 2 2 294.399 0.551 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]1C[N@H+](C)CCCO ZINC001424700447 928255578 /nfs/dbraw/zinc/25/55/78/928255578.db2.gz UBEBOSBDIJJKSF-ZDUSSCGKSA-N 2 2 294.399 0.268 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]1C[N@@H+](C)CCCO ZINC001424700447 928255586 /nfs/dbraw/zinc/25/55/86/928255586.db2.gz UBEBOSBDIJJKSF-ZDUSSCGKSA-N 2 2 294.399 0.268 20 0 CCADLP C[C@H](CNC(=O)CCC[NH+](C)C)[N@H+](C)Cc1ccn(C)n1 ZINC001425005893 928397096 /nfs/dbraw/zinc/39/70/96/928397096.db2.gz WHNBIARUYMFOHF-CYBMUJFWSA-N 2 2 295.431 0.698 20 0 CCADLP C[C@H](CNC(=O)CCC[NH+](C)C)[N@@H+](C)Cc1ccn(C)n1 ZINC001425005893 928397110 /nfs/dbraw/zinc/39/71/10/928397110.db2.gz WHNBIARUYMFOHF-CYBMUJFWSA-N 2 2 295.431 0.698 20 0 CCADLP CC[N@@H+]1CC[C@H]1C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001362713896 928400092 /nfs/dbraw/zinc/40/00/92/928400092.db2.gz BPRBAGOVAZCAPC-GJZGRUSLSA-N 2 2 295.427 0.651 20 0 CCADLP CC[N@H+]1CC[C@H]1C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001362713896 928400101 /nfs/dbraw/zinc/40/01/01/928400101.db2.gz BPRBAGOVAZCAPC-GJZGRUSLSA-N 2 2 295.427 0.651 20 0 CCADLP CC1(C)C[N@H+](CCCO)C[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001425298002 928500380 /nfs/dbraw/zinc/50/03/80/928500380.db2.gz XXWDFOFSIYIIBO-ZDUSSCGKSA-N 2 2 294.399 0.482 20 0 CCADLP CC1(C)C[N@@H+](CCCO)C[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001425298002 928500389 /nfs/dbraw/zinc/50/03/89/928500389.db2.gz XXWDFOFSIYIIBO-ZDUSSCGKSA-N 2 2 294.399 0.482 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001362853057 928575004 /nfs/dbraw/zinc/57/50/04/928575004.db2.gz SJYLIUZZUVUYFF-CYBMUJFWSA-N 2 2 292.383 0.712 20 0 CCADLP CCC[NH2+][C@H](CO)CNC(=O)c1cccc2[nH+]ccn21 ZINC001425773513 928665632 /nfs/dbraw/zinc/66/56/32/928665632.db2.gz GVVKLQOFHNFKRS-NSHDSACASA-N 2 2 276.340 0.425 20 0 CCADLP CC(C)N(CC[N@@H+](C)C[C@@H](C)O)C(=O)Cc1[nH]cc[nH+]1 ZINC001426113131 928767072 /nfs/dbraw/zinc/76/70/72/928767072.db2.gz HABMYTHNVRSBIO-GFCCVEGCSA-N 2 2 282.388 0.502 20 0 CCADLP CC(C)N(CC[N@H+](C)C[C@@H](C)O)C(=O)Cc1[nH]cc[nH+]1 ZINC001426113131 928767076 /nfs/dbraw/zinc/76/70/76/928767076.db2.gz HABMYTHNVRSBIO-GFCCVEGCSA-N 2 2 282.388 0.502 20 0 CCADLP CC(C)N(CC[N@H+](C)CCCO)C(=O)Cn1cc[nH+]c1 ZINC001426126635 928771291 /nfs/dbraw/zinc/77/12/91/928771291.db2.gz QGZURAQNSOCYRC-UHFFFAOYSA-N 2 2 282.388 0.434 20 0 CCADLP CC(C)N(CC[N@@H+](C)CCCO)C(=O)Cn1cc[nH+]c1 ZINC001426126635 928771301 /nfs/dbraw/zinc/77/13/01/928771301.db2.gz QGZURAQNSOCYRC-UHFFFAOYSA-N 2 2 282.388 0.434 20 0 CCADLP CC[N@H+](C)[C@H]1CCN(C(=O)NCC[NH+]2CCO[C@@H](C)C2)C1 ZINC001426836119 928929579 /nfs/dbraw/zinc/92/95/79/928929579.db2.gz PXLFTDPPCSTOBC-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP CC[N@@H+](C)[C@H]1CCN(C(=O)NCC[NH+]2CCO[C@@H](C)C2)C1 ZINC001426836119 928929585 /nfs/dbraw/zinc/92/95/85/928929585.db2.gz PXLFTDPPCSTOBC-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP CC[NH+](C)[C@H]1CCN(C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC001426836119 928929593 /nfs/dbraw/zinc/92/95/93/928929593.db2.gz PXLFTDPPCSTOBC-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP CC[NH+](C)[C@H]1CCN(C(=O)NCC[N@H+]2CCO[C@@H](C)C2)C1 ZINC001426836119 928929597 /nfs/dbraw/zinc/92/95/97/928929597.db2.gz PXLFTDPPCSTOBC-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP O=C1NCCN1CC[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001363317428 929106640 /nfs/dbraw/zinc/10/66/40/929106640.db2.gz DNFYCRLTKIUECW-UHFFFAOYSA-N 2 2 296.415 0.245 20 0 CCADLP C[C@@H](CC[NH+](C)C)C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC001363406950 929192857 /nfs/dbraw/zinc/19/28/57/929192857.db2.gz KXAYSSUFMQUQHM-WCQYABFASA-N 2 2 279.388 0.470 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)N1CC[NH2+][C@H](c2cn[nH]c2)C1 ZINC001363406951 929193062 /nfs/dbraw/zinc/19/30/62/929193062.db2.gz KXAYSSUFMQUQHM-YPMHNXCESA-N 2 2 279.388 0.470 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001363659765 929462040 /nfs/dbraw/zinc/46/20/40/929462040.db2.gz PMQKGCNSQCKETN-QWHCGFSZSA-N 2 2 280.372 0.302 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001363659765 929462050 /nfs/dbraw/zinc/46/20/50/929462050.db2.gz PMQKGCNSQCKETN-QWHCGFSZSA-N 2 2 280.372 0.302 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001363768364 929559217 /nfs/dbraw/zinc/55/92/17/929559217.db2.gz CXVQVJYBWSUCLL-DOMZBBRYSA-N 2 2 276.384 0.763 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001363768364 929559220 /nfs/dbraw/zinc/55/92/20/929559220.db2.gz CXVQVJYBWSUCLL-DOMZBBRYSA-N 2 2 276.384 0.763 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001363817395 929609454 /nfs/dbraw/zinc/60/94/54/929609454.db2.gz NTTBMHZMKTXZSN-UMSGYPCISA-N 2 2 290.367 0.181 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001363817395 929609455 /nfs/dbraw/zinc/60/94/55/929609455.db2.gz NTTBMHZMKTXZSN-UMSGYPCISA-N 2 2 290.367 0.181 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001363817395 929609460 /nfs/dbraw/zinc/60/94/60/929609460.db2.gz NTTBMHZMKTXZSN-UMSGYPCISA-N 2 2 290.367 0.181 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001363817395 929609463 /nfs/dbraw/zinc/60/94/63/929609463.db2.gz NTTBMHZMKTXZSN-UMSGYPCISA-N 2 2 290.367 0.181 20 0 CCADLP Cc1cc(C)c(C(=O)NCC[C@H](C)[NH2+]CC(N)=O)c(C)[nH+]1 ZINC001371809118 929636453 /nfs/dbraw/zinc/63/64/53/929636453.db2.gz YAVIUFCHZKQOIL-JTQLQIEISA-N 2 2 292.383 0.590 20 0 CCADLP Cc1cc(C)c(C(=O)NCC[C@@H](C)[NH2+]CC(N)=O)c(C)[nH+]1 ZINC001371809128 929636500 /nfs/dbraw/zinc/63/65/00/929636500.db2.gz YAVIUFCHZKQOIL-SNVBAGLBSA-N 2 2 292.383 0.590 20 0 CCADLP C[N@H+](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)CC1CC1 ZINC001372017700 929704703 /nfs/dbraw/zinc/70/47/03/929704703.db2.gz OAMRSYCMBLZXGF-ZDUSSCGKSA-N 2 2 276.384 0.904 20 0 CCADLP C[N@@H+](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)CC1CC1 ZINC001372017700 929704713 /nfs/dbraw/zinc/70/47/13/929704713.db2.gz OAMRSYCMBLZXGF-ZDUSSCGKSA-N 2 2 276.384 0.904 20 0 CCADLP COC[C@H](C)[N@H+](C)CCNC(=O)CCc1c[nH+]cn1C ZINC001372202139 929764239 /nfs/dbraw/zinc/76/42/39/929764239.db2.gz DTZJTARUHGGXOJ-LBPRGKRZSA-N 2 2 282.388 0.436 20 0 CCADLP COC[C@H](C)[N@@H+](C)CCNC(=O)CCc1c[nH+]cn1C ZINC001372202139 929764250 /nfs/dbraw/zinc/76/42/50/929764250.db2.gz DTZJTARUHGGXOJ-LBPRGKRZSA-N 2 2 282.388 0.436 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@H]2CC[N@H+](CCO)C2)c[nH+]1 ZINC001372628826 929897842 /nfs/dbraw/zinc/89/78/42/929897842.db2.gz QVRHDLFOTQUNGR-CYBMUJFWSA-N 2 2 294.399 0.357 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@H]2CC[N@@H+](CCO)C2)c[nH+]1 ZINC001372628826 929897857 /nfs/dbraw/zinc/89/78/57/929897857.db2.gz QVRHDLFOTQUNGR-CYBMUJFWSA-N 2 2 294.399 0.357 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC001372863675 929994325 /nfs/dbraw/zinc/99/43/25/929994325.db2.gz XICVMUSBGPJYBD-LBPRGKRZSA-N 2 2 292.383 0.569 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC001372863675 929994335 /nfs/dbraw/zinc/99/43/35/929994335.db2.gz XICVMUSBGPJYBD-LBPRGKRZSA-N 2 2 292.383 0.569 20 0 CCADLP C[C@@H](O)C[N@H+](C)CCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001445059284 930023053 /nfs/dbraw/zinc/02/30/53/930023053.db2.gz ZLALQHOPZXJSHH-VXGBXAGGSA-N 2 2 282.388 0.359 20 0 CCADLP C[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001445059284 930023065 /nfs/dbraw/zinc/02/30/65/930023065.db2.gz ZLALQHOPZXJSHH-VXGBXAGGSA-N 2 2 282.388 0.359 20 0 CCADLP C[C@@H](O)C[N@H+](C)CCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001445059284 930023084 /nfs/dbraw/zinc/02/30/84/930023084.db2.gz ZLALQHOPZXJSHH-VXGBXAGGSA-N 2 2 282.388 0.359 20 0 CCADLP C[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001445059284 930023092 /nfs/dbraw/zinc/02/30/92/930023092.db2.gz ZLALQHOPZXJSHH-VXGBXAGGSA-N 2 2 282.388 0.359 20 0 CCADLP CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1CC[N@H+](CC(N)=O)C1 ZINC001373127446 930083060 /nfs/dbraw/zinc/08/30/60/930083060.db2.gz PTVXMTFHWGMSIG-STQMWFEESA-N 2 2 298.431 0.125 20 0 CCADLP CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1CC[N@@H+](CC(N)=O)C1 ZINC001373127446 930083071 /nfs/dbraw/zinc/08/30/71/930083071.db2.gz PTVXMTFHWGMSIG-STQMWFEESA-N 2 2 298.431 0.125 20 0 CCADLP C[C@H](C[NH2+]Cc1cnsn1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001445502021 930148482 /nfs/dbraw/zinc/14/84/82/930148482.db2.gz PWWGCVMAKLNSEY-NXEZZACHSA-N 2 2 283.401 0.084 20 0 CCADLP C[C@H](C[NH2+]Cc1cnsn1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001445502021 930148488 /nfs/dbraw/zinc/14/84/88/930148488.db2.gz PWWGCVMAKLNSEY-NXEZZACHSA-N 2 2 283.401 0.084 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001445988345 930299286 /nfs/dbraw/zinc/29/92/86/930299286.db2.gz WVVNCUYELHKSDV-ZWNOBZJWSA-N 2 2 280.372 0.472 20 0 CCADLP CCN(C(=O)CCn1cc[nH+]c1)[C@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001373708647 930306352 /nfs/dbraw/zinc/30/63/52/930306352.db2.gz IYTAFXCSDQVSFR-KBPBESRZSA-N 2 2 294.399 0.577 20 0 CCADLP CCN(C(=O)CCn1cc[nH+]c1)[C@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001373708647 930306361 /nfs/dbraw/zinc/30/63/61/930306361.db2.gz IYTAFXCSDQVSFR-KBPBESRZSA-N 2 2 294.399 0.577 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC1([NH2+]Cc2cnon2)CC1 ZINC001446257317 930377154 /nfs/dbraw/zinc/37/71/54/930377154.db2.gz KIWIYTFZFRGDFY-UHFFFAOYSA-N 2 2 281.360 0.150 20 0 CCADLP CC[N@H+](C)CCC(=O)NCC1([NH2+]Cc2nonc2C)CC1 ZINC001446263930 930380732 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2 2 280.372 0.499 20 0 CCADLP C[C@H](O)CCC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001376068995 931042413 /nfs/dbraw/zinc/04/24/13/931042413.db2.gz KIAKVEUCZBVSHR-KBPBESRZSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@H](O)CCC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001376068995 931042421 /nfs/dbraw/zinc/04/24/21/931042421.db2.gz KIAKVEUCZBVSHR-KBPBESRZSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@@H](F)CC[NH+]1CC(O)(CNC(=O)CCC[NH+](C)C)C1 ZINC001376234187 931099476 /nfs/dbraw/zinc/09/94/76/931099476.db2.gz XITVOIYNAUMVSZ-GFCCVEGCSA-N 2 2 289.395 0.239 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC1([NH2+]CCF)CCC1 ZINC001376810578 931286351 /nfs/dbraw/zinc/28/63/51/931286351.db2.gz XYUREVVDKLPZAA-UHFFFAOYSA-N 2 2 282.363 0.951 20 0 CCADLP CC[N@@H+]1CC[C@H]1C(=O)NC(C)(C)CN1CC[NH+](CC)CC1 ZINC001451655669 931468054 /nfs/dbraw/zinc/46/80/54/931468054.db2.gz LNIMLDCYCKLVGN-AWEZNQCLSA-N 2 2 296.459 0.613 20 0 CCADLP CC[N@H+]1CC[C@H]1C(=O)NC(C)(C)CN1CC[NH+](CC)CC1 ZINC001451655669 931468060 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O=C(NCCn1cc[nH+]c1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000337539603 214146176 /nfs/dbraw/zinc/14/61/76/214146176.db2.gz INSNQIKUGUARTM-CHWSQXEVSA-N 2 2 277.372 0.809 20 0 CCADLP CCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CC[N@H+](C)C1 ZINC000617550576 365669354 /nfs/dbraw/zinc/66/93/54/365669354.db2.gz YDTWPQQJBAHHJL-GXTWGEPZSA-N 2 2 276.384 0.998 20 0 CCADLP CCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@@H]1CC[N@@H+](C)C1 ZINC000617550576 365669358 /nfs/dbraw/zinc/66/93/58/365669358.db2.gz YDTWPQQJBAHHJL-GXTWGEPZSA-N 2 2 276.384 0.998 20 0 CCADLP CCN(C(=O)Cc1[nH]c[nH+]c1C)[C@@H]1CC[N@H+](C)C1 ZINC000617550998 365672749 /nfs/dbraw/zinc/67/27/49/365672749.db2.gz IYOPKBVVMAWIIF-LLVKDONJSA-N 2 2 250.346 0.813 20 0 CCADLP CCN(C(=O)Cc1[nH]c[nH+]c1C)[C@@H]1CC[N@@H+](C)C1 ZINC000617550998 365672752 /nfs/dbraw/zinc/67/27/52/365672752.db2.gz IYOPKBVVMAWIIF-LLVKDONJSA-N 2 2 250.346 0.813 20 0 CCADLP Cc1n[nH]cc1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093665444 349549321 /nfs/dbraw/zinc/54/93/21/349549321.db2.gz MPFHNMAGMLEKFJ-ZDUSSCGKSA-N 2 2 264.373 0.872 20 0 CCADLP Cc1n[nH]cc1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093665444 349549324 /nfs/dbraw/zinc/54/93/24/349549324.db2.gz MPFHNMAGMLEKFJ-ZDUSSCGKSA-N 2 2 264.373 0.872 20 0 CCADLP C[N@H+](CC(=O)NC[C@@H]1CCCO1)CC(C)(C)C[NH3+] ZINC000093874164 349555322 /nfs/dbraw/zinc/55/53/22/349555322.db2.gz XRWUBPMRISWWBO-NSHDSACASA-N 2 2 257.378 0.198 20 0 CCADLP C[N@@H+](CC(=O)NC[C@@H]1CCCO1)CC(C)(C)C[NH3+] ZINC000093874164 349555325 /nfs/dbraw/zinc/55/53/25/349555325.db2.gz XRWUBPMRISWWBO-NSHDSACASA-N 2 2 257.378 0.198 20 0 CCADLP COC(=O)[C@@]1(OC)CC[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000600190861 361886916 /nfs/dbraw/zinc/88/69/16/361886916.db2.gz NLAHOMABXBXXPI-CYBMUJFWSA-N 2 2 267.329 0.492 20 0 CCADLP COC(=O)[C@@]1(OC)CC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000600190861 361886922 /nfs/dbraw/zinc/88/69/22/361886922.db2.gz NLAHOMABXBXXPI-CYBMUJFWSA-N 2 2 267.329 0.492 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000423674547 529566804 /nfs/dbraw/zinc/56/68/04/529566804.db2.gz GXKLCGVGXAQDTK-CHWSQXEVSA-N 2 2 269.389 0.341 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000423674547 529566806 /nfs/dbraw/zinc/56/68/06/529566806.db2.gz GXKLCGVGXAQDTK-CHWSQXEVSA-N 2 2 269.389 0.341 20 0 CCADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)NCCOc1ccccc1 ZINC000107574486 349738662 /nfs/dbraw/zinc/73/86/62/349738662.db2.gz WWENSCVHVAUNPP-ZIAGYGMSSA-N 2 2 289.379 0.333 20 0 CCADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)N1CCCCCC1 ZINC000107574220 349738698 /nfs/dbraw/zinc/73/86/98/349738698.db2.gz KOELXWAXZRZDKC-CHWSQXEVSA-N 2 2 251.374 0.540 20 0 CCADLP Cc1cccn2c(=O)cc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)nc12 ZINC000107855595 349741516 /nfs/dbraw/zinc/74/15/16/349741516.db2.gz UHZRQDJJJBTPGC-STQMWFEESA-N 2 2 284.363 0.654 20 0 CCADLP c1c[nH]c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000111217713 349766966 /nfs/dbraw/zinc/76/69/66/349766966.db2.gz BZNSJMHBOXTQFH-UHFFFAOYSA-N 2 2 264.373 0.954 20 0 CCADLP COCC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C(C)(C)C ZINC000338354009 214546226 /nfs/dbraw/zinc/54/62/26/214546226.db2.gz RFJQGBRAADZTHS-ZDUSSCGKSA-N 2 2 285.432 0.801 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000111622385 349773961 /nfs/dbraw/zinc/77/39/61/349773961.db2.gz SMTNFEQCTUCHRI-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000111622385 349773965 /nfs/dbraw/zinc/77/39/65/349773965.db2.gz SMTNFEQCTUCHRI-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP CC[C@H]([NH2+]Cc1c[nH+]ccc1N(C)C)C(=O)NC ZINC000449774432 529635729 /nfs/dbraw/zinc/63/57/29/529635729.db2.gz LVKUNWSYCDUFPC-NSHDSACASA-N 2 2 250.346 0.762 20 0 CCADLP [NH3+][C@@H]1C[C@H]2CN(c3[nH+]ccc4ccccc43)CCN2C1=O ZINC000600948657 362096492 /nfs/dbraw/zinc/09/64/92/362096492.db2.gz VEHOLVOUQMUWOX-GXTWGEPZSA-N 2 2 282.347 0.983 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000600974353 362109787 /nfs/dbraw/zinc/10/97/87/362109787.db2.gz DXBRZEGWAPBQCS-ZDUSSCGKSA-N 2 2 251.374 0.777 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000600974353 362109790 /nfs/dbraw/zinc/10/97/90/362109790.db2.gz DXBRZEGWAPBQCS-ZDUSSCGKSA-N 2 2 251.374 0.777 20 0 CCADLP CCOC(=O)c1cn(CC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000600976963 362111977 /nfs/dbraw/zinc/11/19/77/362111977.db2.gz XXDNALUKEIFKFW-UHFFFAOYSA-N 2 2 283.376 0.338 20 0 CCADLP CCOC(=O)c1cn(CC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000600976963 362111982 /nfs/dbraw/zinc/11/19/82/362111982.db2.gz XXDNALUKEIFKFW-UHFFFAOYSA-N 2 2 283.376 0.338 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C2([NH+](C)C)CC2)[C@H](C)CO1 ZINC000617718733 365723283 /nfs/dbraw/zinc/72/32/83/365723283.db2.gz BZMPCBCKLFBYQK-VXGBXAGGSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2([NH+](C)C)CC2)[C@H](C)CO1 ZINC000617718733 365723289 /nfs/dbraw/zinc/72/32/89/365723289.db2.gz BZMPCBCKLFBYQK-VXGBXAGGSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000617732977 365743792 /nfs/dbraw/zinc/74/37/92/365743792.db2.gz LTPUDMIEQZSFTD-QWHCGFSZSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2CC[NH+](C)CC2)[C@@H](C)CO1 ZINC000617732977 365743795 /nfs/dbraw/zinc/74/37/95/365743795.db2.gz LTPUDMIEQZSFTD-QWHCGFSZSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCC(=O)NC(=O)NCC(F)(F)F ZINC000601329836 362227216 /nfs/dbraw/zinc/22/72/16/362227216.db2.gz MXUVWKQTJWMRRY-JGVFFNPUSA-N 2 2 296.293 0.186 20 0 CCADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCC(=O)NC(=O)NCC(F)(F)F ZINC000601329836 362227225 /nfs/dbraw/zinc/22/72/25/362227225.db2.gz MXUVWKQTJWMRRY-JGVFFNPUSA-N 2 2 296.293 0.186 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601335002 362230993 /nfs/dbraw/zinc/23/09/93/362230993.db2.gz QCWQOLMGLDVWDU-CHWSQXEVSA-N 2 2 296.415 0.686 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601335002 362231001 /nfs/dbraw/zinc/23/10/01/362231001.db2.gz QCWQOLMGLDVWDU-CHWSQXEVSA-N 2 2 296.415 0.686 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc[nH+]1 ZINC000151628973 136394165 /nfs/dbraw/zinc/39/41/65/136394165.db2.gz JXKIBPHTNVDETR-ZDUSSCGKSA-N 2 2 289.383 0.528 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc[nH+]1 ZINC000151628973 136394166 /nfs/dbraw/zinc/39/41/66/136394166.db2.gz JXKIBPHTNVDETR-ZDUSSCGKSA-N 2 2 289.383 0.528 20 0 CCADLP C[C@@H](CCNC(=O)[C@@H](c1c[nH+]cn1C)N(C)C)[NH+](C)C ZINC000617757850 365760132 /nfs/dbraw/zinc/76/01/32/365760132.db2.gz CCCHIPUFYCUETJ-WCQYABFASA-N 2 2 281.404 0.479 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCc1ccon1 ZINC000617763719 365765500 /nfs/dbraw/zinc/76/55/00/365765500.db2.gz YHIBCHBHSPLLPM-UHFFFAOYSA-N 2 2 282.388 0.607 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCc1ccon1 ZINC000617763719 365765513 /nfs/dbraw/zinc/76/55/13/365765513.db2.gz YHIBCHBHSPLLPM-UHFFFAOYSA-N 2 2 282.388 0.607 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1cncc(O)c1 ZINC000617763634 365765529 /nfs/dbraw/zinc/76/55/29/365765529.db2.gz WBNSIRMVPGYJKG-UHFFFAOYSA-N 2 2 294.399 0.329 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1cncc(O)c1 ZINC000617763634 365765535 /nfs/dbraw/zinc/76/55/35/365765535.db2.gz WBNSIRMVPGYJKG-UHFFFAOYSA-N 2 2 294.399 0.329 20 0 CCADLP CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113514204 349815844 /nfs/dbraw/zinc/81/58/44/349815844.db2.gz SXBSXQXZLGURPC-CYBMUJFWSA-N 2 2 293.415 0.262 20 0 CCADLP CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113514204 349815848 /nfs/dbraw/zinc/81/58/48/349815848.db2.gz SXBSXQXZLGURPC-CYBMUJFWSA-N 2 2 293.415 0.262 20 0 CCADLP Cn1ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000617766765 365772557 /nfs/dbraw/zinc/77/25/57/365772557.db2.gz UMWWUPGENNMLJI-UHFFFAOYSA-N 2 2 267.377 0.033 20 0 CCADLP Cn1ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000617766765 365772562 /nfs/dbraw/zinc/77/25/62/365772562.db2.gz UMWWUPGENNMLJI-UHFFFAOYSA-N 2 2 267.377 0.033 20 0 CCADLP CCCn1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cn1 ZINC000617765276 365771540 /nfs/dbraw/zinc/77/15/40/365771540.db2.gz ZLWARVMFFBQDIZ-UHFFFAOYSA-N 2 2 295.431 0.906 20 0 CCADLP CCCn1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000617765276 365771542 /nfs/dbraw/zinc/77/15/42/365771542.db2.gz ZLWARVMFFBQDIZ-UHFFFAOYSA-N 2 2 295.431 0.906 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114199701 349824179 /nfs/dbraw/zinc/82/41/79/349824179.db2.gz AVRLUQWTQLYBMG-GHMZBOCLSA-N 2 2 270.377 0.104 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114199701 349824181 /nfs/dbraw/zinc/82/41/81/349824181.db2.gz AVRLUQWTQLYBMG-GHMZBOCLSA-N 2 2 270.377 0.104 20 0 CCADLP Cn1c(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)nc2ccccc21 ZINC000358158328 529800855 /nfs/dbraw/zinc/80/08/55/529800855.db2.gz AJGVPYDYOOASCV-OAHLLOKOSA-N 2 2 274.368 0.730 20 0 CCADLP Cn1c(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)nc2ccccc21 ZINC000358158328 529800857 /nfs/dbraw/zinc/80/08/57/529800857.db2.gz AJGVPYDYOOASCV-OAHLLOKOSA-N 2 2 274.368 0.730 20 0 CCADLP C[C@H]1CC[NH2+][C@@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000126898327 187268727 /nfs/dbraw/zinc/26/87/27/187268727.db2.gz GVGQPNFQFUIUGH-QWHCGFSZSA-N 2 2 283.416 0.602 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@H]2CCO)n1C ZINC000425335924 529807686 /nfs/dbraw/zinc/80/76/86/529807686.db2.gz JFXYORIMRVOFLJ-NSHDSACASA-N 2 2 252.362 0.833 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@H]2CCO)n1C ZINC000425335924 529807688 /nfs/dbraw/zinc/80/76/88/529807688.db2.gz JFXYORIMRVOFLJ-NSHDSACASA-N 2 2 252.362 0.833 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2C[C@H](O)C(C)(C)C2)n1C ZINC000425345934 529807973 /nfs/dbraw/zinc/80/79/73/529807973.db2.gz VXAPKKKATOJLDU-NSHDSACASA-N 2 2 252.362 0.689 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2C[C@H](O)C(C)(C)C2)n1C ZINC000425345934 529807974 /nfs/dbraw/zinc/80/79/74/529807974.db2.gz VXAPKKKATOJLDU-NSHDSACASA-N 2 2 252.362 0.689 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cn3ccccc3n2)C1 ZINC000358148527 529809854 /nfs/dbraw/zinc/80/98/54/529809854.db2.gz YOUHYQXGUXAUDN-AWEZNQCLSA-N 2 2 260.341 0.491 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cn3ccccc3n2)C1 ZINC000358148527 529809855 /nfs/dbraw/zinc/80/98/55/529809855.db2.gz YOUHYQXGUXAUDN-AWEZNQCLSA-N 2 2 260.341 0.491 20 0 CCADLP COCCCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000118000405 349894910 /nfs/dbraw/zinc/89/49/10/349894910.db2.gz GJTQJKIKIRHHBO-UHFFFAOYSA-N 2 2 257.378 0.119 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2CCN3CCOC[C@@H]3C2)n1C ZINC000425336399 282319033 /nfs/dbraw/zinc/31/90/33/282319033.db2.gz KUZVADUOMGMPCO-ZDUSSCGKSA-N 2 2 279.388 0.003 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2CCN3CCOC[C@@H]3C2)n1C ZINC000425336399 282319036 /nfs/dbraw/zinc/31/90/36/282319036.db2.gz KUZVADUOMGMPCO-ZDUSSCGKSA-N 2 2 279.388 0.003 20 0 CCADLP CN(C[C@H](O)C[NH+]1CCOCC1)C(C)(C)C[NH+]1CCCC1 ZINC000419370626 529959790 /nfs/dbraw/zinc/95/97/90/529959790.db2.gz BNPMLGMGKULDOO-HNNXBMFYSA-N 2 2 299.459 0.486 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418398913 529996187 /nfs/dbraw/zinc/99/61/87/529996187.db2.gz WPYPOZNILNTJCO-RWMBFGLXSA-N 2 2 284.404 0.004 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418398913 529996188 /nfs/dbraw/zinc/99/61/88/529996188.db2.gz WPYPOZNILNTJCO-RWMBFGLXSA-N 2 2 284.404 0.004 20 0 CCADLP C[N@@H+](CC(=O)N1CCOCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000118841658 282347177 /nfs/dbraw/zinc/34/71/77/282347177.db2.gz DJDVGXKZLVSPCS-CYBMUJFWSA-N 2 2 269.389 0.119 20 0 CCADLP C[N@H+](CC(=O)N1CCOCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000118841658 282347180 /nfs/dbraw/zinc/34/71/80/282347180.db2.gz DJDVGXKZLVSPCS-CYBMUJFWSA-N 2 2 269.389 0.119 20 0 CCADLP C[NH+](CC(=O)N1CCOCC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841658 282347182 /nfs/dbraw/zinc/34/71/82/282347182.db2.gz DJDVGXKZLVSPCS-CYBMUJFWSA-N 2 2 269.389 0.119 20 0 CCADLP C[NH+](CC(=O)N1CCOCC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841658 282347184 /nfs/dbraw/zinc/34/71/84/282347184.db2.gz DJDVGXKZLVSPCS-CYBMUJFWSA-N 2 2 269.389 0.119 20 0 CCADLP C[NH2+]C[C@H]1CCCN1C(=O)NCc1c[nH+]ccc1OC ZINC000418211852 530002656 /nfs/dbraw/zinc/00/26/56/530002656.db2.gz IWRIIRSNZKDYJI-GFCCVEGCSA-N 2 2 278.356 0.984 20 0 CCADLP C[N@@H+](CC(=O)NC(=O)NC1CC1)C[C@@H]1CCC[NH+](C)C1 ZINC000118841780 282350607 /nfs/dbraw/zinc/35/06/07/282350607.db2.gz GADHJQNVEDZWQX-LLVKDONJSA-N 2 2 282.388 0.248 20 0 CCADLP C[N@H+](CC(=O)NC(=O)NC1CC1)C[C@@H]1CCC[NH+](C)C1 ZINC000118841780 282350608 /nfs/dbraw/zinc/35/06/08/282350608.db2.gz GADHJQNVEDZWQX-LLVKDONJSA-N 2 2 282.388 0.248 20 0 CCADLP C[NH+](CC(=O)NC(=O)NC1CC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841780 282350609 /nfs/dbraw/zinc/35/06/09/282350609.db2.gz GADHJQNVEDZWQX-LLVKDONJSA-N 2 2 282.388 0.248 20 0 CCADLP C[NH+](CC(=O)NC(=O)NC1CC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841780 282350611 /nfs/dbraw/zinc/35/06/11/282350611.db2.gz GADHJQNVEDZWQX-LLVKDONJSA-N 2 2 282.388 0.248 20 0 CCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)[C@H]1COCC[NH2+]1 ZINC000424186982 530015217 /nfs/dbraw/zinc/01/52/17/530015217.db2.gz IKAHCMNARVAXRF-GFCCVEGCSA-N 2 2 278.356 0.166 20 0 CCADLP C[N@@H+]1CCN(C(=O)/C=C/C2CCOCC2)[C@@H](C[NH3+])C1 ZINC000493718039 530066044 /nfs/dbraw/zinc/06/60/44/530066044.db2.gz NPSQORTXUNSUHQ-IBUXWKBASA-N 2 2 267.373 0.071 20 0 CCADLP C[N@H+]1CCN(C(=O)/C=C/C2CCOCC2)[C@@H](C[NH3+])C1 ZINC000493718039 530066045 /nfs/dbraw/zinc/06/60/45/530066045.db2.gz NPSQORTXUNSUHQ-IBUXWKBASA-N 2 2 267.373 0.071 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)CC1 ZINC000452105939 530068143 /nfs/dbraw/zinc/06/81/43/530068143.db2.gz MYQXIYRFLWXZER-OLZOCXBDSA-N 2 2 281.400 0.117 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)CC1 ZINC000452105939 530068144 /nfs/dbraw/zinc/06/81/44/530068144.db2.gz MYQXIYRFLWXZER-OLZOCXBDSA-N 2 2 281.400 0.117 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](CCC(=O)Nc2cc(F)cc(F)c2)CCO1 ZINC000358142503 232049367 /nfs/dbraw/zinc/04/93/67/232049367.db2.gz ZQGCPZWBIYCLAT-ZDUSSCGKSA-N 2 2 299.321 0.953 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CCC(=O)Nc2cc(F)cc(F)c2)CCO1 ZINC000358142503 232049370 /nfs/dbraw/zinc/04/93/70/232049370.db2.gz ZQGCPZWBIYCLAT-ZDUSSCGKSA-N 2 2 299.321 0.953 20 0 CCADLP COCc1nc2n(n1)C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)CC2 ZINC000358281911 232073633 /nfs/dbraw/zinc/07/36/33/232073633.db2.gz DLWQOOCZTDDBKX-IJLUTSLNSA-N 2 2 279.388 0.279 20 0 CCADLP COCc1nc2n(n1)C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)CC2 ZINC000358281911 232073637 /nfs/dbraw/zinc/07/36/37/232073637.db2.gz DLWQOOCZTDDBKX-IJLUTSLNSA-N 2 2 279.388 0.279 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655243216 412518103 /nfs/dbraw/zinc/51/81/03/412518103.db2.gz SDAVONYRHJYBGI-MCIONIFRSA-N 2 2 285.432 0.941 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655243216 412518108 /nfs/dbraw/zinc/51/81/08/412518108.db2.gz SDAVONYRHJYBGI-MCIONIFRSA-N 2 2 285.432 0.941 20 0 CCADLP CC(C)[NH+](C)CC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655243216 412518111 /nfs/dbraw/zinc/51/81/11/412518111.db2.gz SDAVONYRHJYBGI-MCIONIFRSA-N 2 2 285.432 0.941 20 0 CCADLP CC(C)[NH+](C)CC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655243216 412518116 /nfs/dbraw/zinc/51/81/16/412518116.db2.gz SDAVONYRHJYBGI-MCIONIFRSA-N 2 2 285.432 0.941 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655241367 412518461 /nfs/dbraw/zinc/51/84/61/412518461.db2.gz KFPHRKICASNFRV-SDDRHHMPSA-N 2 2 294.399 0.875 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655241367 412518466 /nfs/dbraw/zinc/51/84/66/412518466.db2.gz KFPHRKICASNFRV-SDDRHHMPSA-N 2 2 294.399 0.875 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655241924 412519680 /nfs/dbraw/zinc/51/96/80/412519680.db2.gz UOOQWIUKVVDTQZ-RWMBFGLXSA-N 2 2 280.372 0.497 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655241924 412519682 /nfs/dbraw/zinc/51/96/82/412519682.db2.gz UOOQWIUKVVDTQZ-RWMBFGLXSA-N 2 2 280.372 0.497 20 0 CCADLP C[C@@H](CNC(=O)C[NH+](C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244981 412520790 /nfs/dbraw/zinc/52/07/90/412520790.db2.gz ZODQLECETIPKIB-SDDRHHMPSA-N 2 2 257.378 0.162 20 0 CCADLP C[C@@H](CNC(=O)C[NH+](C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244981 412520795 /nfs/dbraw/zinc/52/07/95/412520795.db2.gz ZODQLECETIPKIB-SDDRHHMPSA-N 2 2 257.378 0.162 20 0 CCADLP C[C@H](NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1[nH]cc[nH+]1 ZINC000367584292 232399339 /nfs/dbraw/zinc/39/93/39/232399339.db2.gz AJNYECLPFPHZCF-SRVKXCTJSA-N 2 2 250.346 0.924 20 0 CCADLP CC(C)n1cc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)nn1 ZINC000342108297 535061556 /nfs/dbraw/zinc/06/15/56/535061556.db2.gz SWHGQELWTDJPAR-CYBMUJFWSA-N 2 2 294.403 0.288 20 0 CCADLP CC(C)n1cc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)nn1 ZINC000342108297 535061561 /nfs/dbraw/zinc/06/15/61/535061561.db2.gz SWHGQELWTDJPAR-CYBMUJFWSA-N 2 2 294.403 0.288 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000232113011 136962137 /nfs/dbraw/zinc/96/21/37/136962137.db2.gz ARJFJIWXPIJRNN-ZDUSSCGKSA-N 2 2 292.383 0.530 20 0 CCADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)NCc2ccccc2)C1 ZINC000261552651 137007810 /nfs/dbraw/zinc/00/78/10/137007810.db2.gz RQKIDOZVYQWKDD-HNNXBMFYSA-N 2 2 261.369 0.974 20 0 CCADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)NCc2ccccc2)C1 ZINC000261552651 137007811 /nfs/dbraw/zinc/00/78/11/137007811.db2.gz RQKIDOZVYQWKDD-HNNXBMFYSA-N 2 2 261.369 0.974 20 0 CCADLP Cc1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)nc1 ZINC000261625848 137012798 /nfs/dbraw/zinc/01/27/98/137012798.db2.gz VFOUPELFJOCBRR-HNNXBMFYSA-N 2 2 260.385 0.870 20 0 CCADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3nnnn3-c3ccccc3)C[C@H]12 ZINC000261690765 137015517 /nfs/dbraw/zinc/01/55/17/137015517.db2.gz NIGUFWKPNQKLKG-FPMFFAJLSA-N 2 2 284.367 0.831 20 0 CCADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3nnnn3-c3ccccc3)C[C@H]12 ZINC000261690765 137015518 /nfs/dbraw/zinc/01/55/18/137015518.db2.gz NIGUFWKPNQKLKG-FPMFFAJLSA-N 2 2 284.367 0.831 20 0 CCADLP COC[C@H]([NH3+])C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000262351320 137039915 /nfs/dbraw/zinc/03/99/15/137039915.db2.gz UNTYWSKFBRYCGV-LBPRGKRZSA-N 2 2 292.314 0.601 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262514828 137045878 /nfs/dbraw/zinc/04/58/78/137045878.db2.gz KAXXUDNEFZXGSC-OFQRWUPVSA-N 2 2 295.427 0.603 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000262565341 137046877 /nfs/dbraw/zinc/04/68/77/137046877.db2.gz ROXPELHSPYSZSC-GOEBONIOSA-N 2 2 295.427 0.557 20 0 CCADLP COCC[NH2+]CC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000262669791 137050160 /nfs/dbraw/zinc/05/01/60/137050160.db2.gz MRZCZTBHPWYGSA-UHFFFAOYSA-N 2 2 262.313 0.187 20 0 CCADLP C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCN(CC[NH3+])CC2)C1 ZINC000263024235 137057406 /nfs/dbraw/zinc/05/74/06/137057406.db2.gz RDONZGHQPKLJJD-ZIAGYGMSSA-N 2 2 282.432 0.067 20 0 CCADLP Cn1ccc(N2CCC[C@H]([N@@H+]3CC[C@](C)(C[NH3+])C3)C2=O)n1 ZINC000261702964 137016554 /nfs/dbraw/zinc/01/65/54/137016554.db2.gz LTCNNVFXDVUGPP-SWLSCSKDSA-N 2 2 291.399 0.586 20 0 CCADLP Cn1ccc(N2CCC[C@H]([N@H+]3CC[C@](C)(C[NH3+])C3)C2=O)n1 ZINC000261702964 137016555 /nfs/dbraw/zinc/01/65/55/137016555.db2.gz LTCNNVFXDVUGPP-SWLSCSKDSA-N 2 2 291.399 0.586 20 0 CCADLP O=c1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc2sccn21 ZINC000261703309 137016571 /nfs/dbraw/zinc/01/65/71/137016571.db2.gz IQEPVLKPDXCBQD-GHMZBOCLSA-N 2 2 290.392 0.797 20 0 CCADLP O=c1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc2sccn21 ZINC000261703309 137016572 /nfs/dbraw/zinc/01/65/72/137016572.db2.gz IQEPVLKPDXCBQD-GHMZBOCLSA-N 2 2 290.392 0.797 20 0 CCADLP CC[N@@H+]1CCO[C@H](c2nc(C[C@@H](C)[NH2+]C)no2)C1 ZINC000261761243 137018560 /nfs/dbraw/zinc/01/85/60/137018560.db2.gz MKKUKRRZOYUHGU-ZJUUUORDSA-N 2 2 254.334 0.613 20 0 CCADLP CC[N@H+]1CCO[C@H](c2nc(C[C@@H](C)[NH2+]C)no2)C1 ZINC000261761243 137018561 /nfs/dbraw/zinc/01/85/61/137018561.db2.gz MKKUKRRZOYUHGU-ZJUUUORDSA-N 2 2 254.334 0.613 20 0 CCADLP O=c1n2ccccc2nn1CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261795662 137020433 /nfs/dbraw/zinc/02/04/33/137020433.db2.gz YHNMFCFFMVEQEH-OLZOCXBDSA-N 2 2 287.367 0.180 20 0 CCADLP O=c1n2ccccc2nn1CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261795662 137020434 /nfs/dbraw/zinc/02/04/34/137020434.db2.gz YHNMFCFFMVEQEH-OLZOCXBDSA-N 2 2 287.367 0.180 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC(C)(C)[NH3+] ZINC000261805509 137021242 /nfs/dbraw/zinc/02/12/42/137021242.db2.gz HGRPZSAVTHHDSK-FRRDWIJNSA-N 3 2 255.406 0.907 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC(C)(C)[NH3+] ZINC000261805509 137021243 /nfs/dbraw/zinc/02/12/43/137021243.db2.gz HGRPZSAVTHHDSK-FRRDWIJNSA-N 3 2 255.406 0.907 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C[C@@H](C)O1 ZINC000261854315 137023013 /nfs/dbraw/zinc/02/30/13/137023013.db2.gz XAEPNYZSQUBGGC-SYQHCUMBSA-N 2 2 281.400 0.306 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)C[C@@H](C)O1 ZINC000261854315 137023014 /nfs/dbraw/zinc/02/30/14/137023014.db2.gz XAEPNYZSQUBGGC-SYQHCUMBSA-N 2 2 281.400 0.306 20 0 CCADLP O=c1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)nc2sccn21 ZINC000261874961 137023716 /nfs/dbraw/zinc/02/37/16/137023716.db2.gz ZLWUIMFWDPSCQU-AWEZNQCLSA-N 2 2 290.392 0.941 20 0 CCADLP O=c1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)nc2sccn21 ZINC000261874961 137023717 /nfs/dbraw/zinc/02/37/17/137023717.db2.gz ZLWUIMFWDPSCQU-AWEZNQCLSA-N 2 2 290.392 0.941 20 0 CCADLP C[C@@]1(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[NH2+]C1 ZINC000261917389 137025398 /nfs/dbraw/zinc/02/53/98/137025398.db2.gz ZTTPVRNFOIKYDE-DZGCQCFKSA-N 2 2 281.400 0.309 20 0 CCADLP C[C@]1(C[NH+]2CCN(c3nc(N)ns3)CC2)CC[NH2+]C1 ZINC000261924638 137026306 /nfs/dbraw/zinc/02/63/06/137026306.db2.gz CAJRZAGWOOZZEO-LBPRGKRZSA-N 2 2 282.417 0.242 20 0 CCADLP C[C@@]1(C[NH+]2CCN(Cc3ncc[nH]3)CC2)CC[NH2+]C1 ZINC000261975327 137027220 /nfs/dbraw/zinc/02/72/20/137027220.db2.gz IRXJPGGKUOKFRP-CQSZACIVSA-N 2 2 263.389 0.527 20 0 CCADLP O=C(CC[NH+]1CCC(c2ccn[nH]2)CC1)N1CC[NH2+]CC1 ZINC000262200568 137030552 /nfs/dbraw/zinc/03/05/52/137030552.db2.gz SGGYXSZHANIFHI-UHFFFAOYSA-N 2 2 291.399 0.411 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CCC1CC[NH2+]CC1 ZINC000263258849 137061767 /nfs/dbraw/zinc/06/17/67/137061767.db2.gz QSVVUWATQMUQGC-CYBMUJFWSA-N 2 2 283.416 0.603 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)CCC1CC[NH2+]CC1 ZINC000263258849 137061768 /nfs/dbraw/zinc/06/17/68/137061768.db2.gz QSVVUWATQMUQGC-CYBMUJFWSA-N 2 2 283.416 0.603 20 0 CCADLP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000311040135 137073631 /nfs/dbraw/zinc/07/36/31/137073631.db2.gz OVRGIWQBVWPJKW-XQQFMLRXSA-N 2 2 253.390 0.833 20 0 CCADLP CCCCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000311040135 137073632 /nfs/dbraw/zinc/07/36/32/137073632.db2.gz OVRGIWQBVWPJKW-XQQFMLRXSA-N 2 2 253.390 0.833 20 0 CCADLP C[C@@H](O)C1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000311084942 137074116 /nfs/dbraw/zinc/07/41/16/137074116.db2.gz OJMNOHBLTDVNKC-RISCZKNCSA-N 2 2 256.390 0.534 20 0 CCADLP C[C@@H](O)C1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000311084942 137074117 /nfs/dbraw/zinc/07/41/17/137074117.db2.gz OJMNOHBLTDVNKC-RISCZKNCSA-N 2 2 256.390 0.534 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000311906513 137075826 /nfs/dbraw/zinc/07/58/26/137075826.db2.gz GRCOKRKDGRCODC-CYBMUJFWSA-N 2 2 270.377 0.283 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000311906513 137075827 /nfs/dbraw/zinc/07/58/27/137075827.db2.gz GRCOKRKDGRCODC-CYBMUJFWSA-N 2 2 270.377 0.283 20 0 CCADLP C[N@H+](C[C@@H]1CCCOC1)C1CC[NH+](CCO)CC1 ZINC000342939889 137104854 /nfs/dbraw/zinc/10/48/54/137104854.db2.gz FMYYUJGEBMBCSQ-ZDUSSCGKSA-N 2 2 256.390 0.802 20 0 CCADLP C[N@@H+](C[C@@H]1CCCOC1)C1CC[NH+](CCO)CC1 ZINC000342939889 137104855 /nfs/dbraw/zinc/10/48/55/137104855.db2.gz FMYYUJGEBMBCSQ-ZDUSSCGKSA-N 2 2 256.390 0.802 20 0 CCADLP CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000343641799 137147278 /nfs/dbraw/zinc/14/72/78/137147278.db2.gz OTEIBUGQTJASSU-SMDDNHRTSA-N 2 2 297.424 0.634 20 0 CCADLP CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000343641799 137147279 /nfs/dbraw/zinc/14/72/79/137147279.db2.gz OTEIBUGQTJASSU-SMDDNHRTSA-N 2 2 297.424 0.634 20 0 CCADLP Cc1nnc(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)o1 ZINC000343726299 137153299 /nfs/dbraw/zinc/15/32/99/137153299.db2.gz HBURXIGWKNSLQV-LBPRGKRZSA-N 2 2 293.415 0.978 20 0 CCADLP Cc1nnc(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)o1 ZINC000343726299 137153300 /nfs/dbraw/zinc/15/33/00/137153300.db2.gz HBURXIGWKNSLQV-LBPRGKRZSA-N 2 2 293.415 0.978 20 0 CCADLP C[C@@H]1C[N@H+](Cc2cncn2C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343942747 137168520 /nfs/dbraw/zinc/16/85/20/137168520.db2.gz UJJOZJGPBVSXTC-ZBFHGGJFSA-N 2 2 291.443 0.878 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2cncn2C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343942747 137168521 /nfs/dbraw/zinc/16/85/21/137168521.db2.gz UJJOZJGPBVSXTC-ZBFHGGJFSA-N 2 2 291.443 0.878 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000344126433 137178344 /nfs/dbraw/zinc/17/83/44/137178344.db2.gz LUZPXSCJMLSOMT-CYBMUJFWSA-N 2 2 294.399 0.815 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000344126433 137178345 /nfs/dbraw/zinc/17/83/45/137178345.db2.gz LUZPXSCJMLSOMT-CYBMUJFWSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000343296457 137126077 /nfs/dbraw/zinc/12/60/77/137126077.db2.gz YVURPDRGUSBOCO-HIFRSBDPSA-N 3 2 268.449 0.552 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000343296457 137126078 /nfs/dbraw/zinc/12/60/78/137126078.db2.gz YVURPDRGUSBOCO-HIFRSBDPSA-N 3 2 268.449 0.552 20 0 CCADLP CC(C)C[NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC000343398330 137132274 /nfs/dbraw/zinc/13/22/74/137132274.db2.gz XISYQWSBGYZHPL-ZWNOBZJWSA-N 2 2 250.346 0.985 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN2CC[N@H+](C)C[C@H]2C)C[C@@H](C)O1 ZINC000344372142 137190798 /nfs/dbraw/zinc/19/07/98/137190798.db2.gz JEAJMNKMGLPEIT-TUVASFSCSA-N 2 2 285.432 0.092 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN2CC[N@@H+](C)C[C@H]2C)C[C@@H](C)O1 ZINC000344372142 137190799 /nfs/dbraw/zinc/19/07/99/137190799.db2.gz JEAJMNKMGLPEIT-TUVASFSCSA-N 2 2 285.432 0.092 20 0 CCADLP C[C@@H]1OCC[NH2+][C@H]1C(=O)NCCCNc1cccc[nH+]1 ZINC000344489423 137197002 /nfs/dbraw/zinc/19/70/02/137197002.db2.gz KSNOEGDQBNULKT-WCQYABFASA-N 2 2 278.356 0.377 20 0 CCADLP Cc1ccc2nc(C[NH+]3CCC([NH3+])CC3)cc(=O)n2c1 ZINC000036753915 348170260 /nfs/dbraw/zinc/17/02/60/348170260.db2.gz ZPPDIJODHLHVCT-UHFFFAOYSA-N 2 2 272.352 0.926 20 0 CCADLP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NC(=O)NC1CC1 ZINC000037917900 348218870 /nfs/dbraw/zinc/21/88/70/348218870.db2.gz CYKZRLDXYFIILI-WCQYABFASA-N 2 2 294.399 0.439 20 0 CCADLP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NC(=O)NC1CC1 ZINC000037917900 348218874 /nfs/dbraw/zinc/21/88/74/348218874.db2.gz CYKZRLDXYFIILI-WCQYABFASA-N 2 2 294.399 0.439 20 0 CCADLP C[NH2+]CCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000037610655 348193194 /nfs/dbraw/zinc/19/31/94/348193194.db2.gz PCDGMEGFPFZOGH-UHFFFAOYSA-N 2 2 262.357 0.730 20 0 CCADLP O=C(C[NH2+]CC1CC1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000037800387 348205883 /nfs/dbraw/zinc/20/58/83/348205883.db2.gz KMQNKKMSNHOAAZ-UHFFFAOYSA-N 2 2 288.395 0.725 20 0 CCADLP CC(C)C[C@@H](CNC(=O)C[NH2+]CC1CC1)[NH+]1CCOCC1 ZINC000040824688 348243395 /nfs/dbraw/zinc/24/33/95/348243395.db2.gz VNMSHVLNXWHSSY-HNNXBMFYSA-N 2 2 297.443 0.849 20 0 CCADLP C[C@@H](CO)[N@@H+]1CCCN(CCn2cc[nH+]c2)CC1 ZINC000346656898 137297197 /nfs/dbraw/zinc/29/71/97/137297197.db2.gz SJEGHDWPZRMFLP-ZDUSSCGKSA-N 2 2 252.362 0.272 20 0 CCADLP C[C@@H](CO)[N@H+]1CCCN(CCn2cc[nH+]c2)CC1 ZINC000346656898 137297198 /nfs/dbraw/zinc/29/71/98/137297198.db2.gz SJEGHDWPZRMFLP-ZDUSSCGKSA-N 2 2 252.362 0.272 20 0 CCADLP [NH3+][C@@H]1CCC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000346110800 137267948 /nfs/dbraw/zinc/26/79/48/137267948.db2.gz WMGWHTHWSHUNII-MRVPVSSYSA-N 2 2 296.293 0.188 20 0 CCADLP [NH3+][C@@H]1CCC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000346110800 137267949 /nfs/dbraw/zinc/26/79/49/137267949.db2.gz WMGWHTHWSHUNII-MRVPVSSYSA-N 2 2 296.293 0.188 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)CC1 ZINC000339441083 215173404 /nfs/dbraw/zinc/17/34/04/215173404.db2.gz NVHHGWRLHGQDOQ-INIZCTEOSA-N 3 2 294.443 0.178 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)CC1 ZINC000339441083 215173407 /nfs/dbraw/zinc/17/34/07/215173407.db2.gz NVHHGWRLHGQDOQ-INIZCTEOSA-N 3 2 294.443 0.178 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000339441083 215173408 /nfs/dbraw/zinc/17/34/08/215173408.db2.gz NVHHGWRLHGQDOQ-INIZCTEOSA-N 3 2 294.443 0.178 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000339441083 215173412 /nfs/dbraw/zinc/17/34/12/215173412.db2.gz NVHHGWRLHGQDOQ-INIZCTEOSA-N 3 2 294.443 0.178 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000346181876 137271663 /nfs/dbraw/zinc/27/16/63/137271663.db2.gz BXRTTYINIVEVFN-OCCSQVGLSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000346181876 137271664 /nfs/dbraw/zinc/27/16/64/137271664.db2.gz BXRTTYINIVEVFN-OCCSQVGLSA-N 2 2 283.416 0.554 20 0 CCADLP CC[NH+](CC)C[C@@H](C)NC(=O)NCCn1cc[nH+]c1 ZINC000339442697 215174262 /nfs/dbraw/zinc/17/42/62/215174262.db2.gz PSGKHBZJACOZIV-GFCCVEGCSA-N 2 2 267.377 0.913 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(CC2CC[NH2+]CC2)CC1 ZINC000346994674 137314615 /nfs/dbraw/zinc/31/46/15/137314615.db2.gz UXAFHPYPNIFXGT-AWEZNQCLSA-N 2 2 255.406 0.375 20 0 CCADLP CC(C)[C@@H](C[NH3+])C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000044797046 348326275 /nfs/dbraw/zinc/32/62/75/348326275.db2.gz WSNQCBIUPBNANF-CYBMUJFWSA-N 2 2 276.384 0.961 20 0 CCADLP Cn1ccnc1CN1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346832538 137307405 /nfs/dbraw/zinc/30/74/05/137307405.db2.gz QXWDLUTWKLBQDY-AWEZNQCLSA-N 2 2 277.416 0.537 20 0 CCADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(CC(C)(C)[NH3+])CC1 ZINC000346854514 137308741 /nfs/dbraw/zinc/30/87/41/137308741.db2.gz NBBSWPNNZZOHQJ-AWEZNQCLSA-N 2 2 296.459 0.742 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000339469924 215193025 /nfs/dbraw/zinc/19/30/25/215193025.db2.gz HPAFGAWSDOIEBN-OLZOCXBDSA-N 2 2 292.383 0.457 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)C1 ZINC000339469924 215193028 /nfs/dbraw/zinc/19/30/28/215193028.db2.gz HPAFGAWSDOIEBN-OLZOCXBDSA-N 2 2 292.383 0.457 20 0 CCADLP COC(=O)CCCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989550 362926979 /nfs/dbraw/zinc/92/69/79/362926979.db2.gz SWTKSCAFABHGLU-UHFFFAOYSA-N 2 2 285.388 0.036 20 0 CCADLP COC(=O)CCCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989550 362926988 /nfs/dbraw/zinc/92/69/88/362926988.db2.gz SWTKSCAFABHGLU-UHFFFAOYSA-N 2 2 285.388 0.036 20 0 CCADLP CC[NH+](CC)CCOCC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000349683511 137399585 /nfs/dbraw/zinc/39/95/85/137399585.db2.gz HPSDUNRXXGOWGR-ZIAGYGMSSA-N 3 2 257.422 0.885 20 0 CCADLP CC[NH+](CC)CCOCC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000349683511 137399586 /nfs/dbraw/zinc/39/95/86/137399586.db2.gz HPSDUNRXXGOWGR-ZIAGYGMSSA-N 3 2 257.422 0.885 20 0 CCADLP CSC1(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000347823585 137359096 /nfs/dbraw/zinc/35/90/96/137359096.db2.gz IIWUNQAIMCDEHB-NSHDSACASA-N 2 2 271.430 0.811 20 0 CCADLP CSC1(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000347823585 137359097 /nfs/dbraw/zinc/35/90/97/137359097.db2.gz IIWUNQAIMCDEHB-NSHDSACASA-N 2 2 271.430 0.811 20 0 CCADLP CC[NH+](CC)CCOCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC000347910377 137363428 /nfs/dbraw/zinc/36/34/28/137363428.db2.gz TVCXYHXBAVMSCH-UHFFFAOYSA-N 2 2 296.419 0.438 20 0 CCADLP CC[NH+](CC)CCOCCNc1nc(C)[nH+]c(N(C)C)n1 ZINC000347910377 137363429 /nfs/dbraw/zinc/36/34/29/137363429.db2.gz TVCXYHXBAVMSCH-UHFFFAOYSA-N 2 2 296.419 0.438 20 0 CCADLP COC(=O)c1cc(C[NH2+]CC[NH+]2CCCC2)cn1C ZINC000348117322 137373061 /nfs/dbraw/zinc/37/30/61/137373061.db2.gz NIDYFRQZKAAYHI-UHFFFAOYSA-N 2 2 265.357 0.997 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000348930544 137380821 /nfs/dbraw/zinc/38/08/21/137380821.db2.gz YAKDSOTXNCWAFS-CHWSQXEVSA-N 2 2 283.416 0.696 20 0 CCADLP COc1c(C)c[nH+]c(CN2CC[NH+](CCO)CC2)c1C ZINC000050103434 348466606 /nfs/dbraw/zinc/46/66/06/348466606.db2.gz SJIVTBJAOHTKRK-UHFFFAOYSA-N 2 2 279.384 0.817 20 0 CCADLP CCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051674814 348492474 /nfs/dbraw/zinc/49/24/74/348492474.db2.gz OTCAUDYIQSPGCD-UHFFFAOYSA-N 2 2 268.405 0.864 20 0 CCADLP Cc1cc(N2CC[NH+](CC(C)(C)O)CC2)nc(C)[nH+]1 ZINC000067405784 348773103 /nfs/dbraw/zinc/77/31/03/348773103.db2.gz HAZOLIAAWULXOV-UHFFFAOYSA-N 2 2 264.373 0.986 20 0 CCADLP Cn1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cn1 ZINC000069803384 348861319 /nfs/dbraw/zinc/86/13/19/348861319.db2.gz MZFZMGOSXHVAET-AWEZNQCLSA-N 2 2 278.400 0.964 20 0 CCADLP Cn1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cn1 ZINC000069803384 348861321 /nfs/dbraw/zinc/86/13/21/348861321.db2.gz MZFZMGOSXHVAET-AWEZNQCLSA-N 2 2 278.400 0.964 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCCCNC2=O)n1C ZINC000070143191 348873656 /nfs/dbraw/zinc/87/36/56/348873656.db2.gz FIEWJVJTHSDGKK-NSHDSACASA-N 2 2 265.361 0.244 20 0 CCADLP CC[C@H](C)NC(=O)CC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000070143730 348873738 /nfs/dbraw/zinc/87/37/38/348873738.db2.gz QNULUFNKIZMJIM-NSHDSACASA-N 2 2 281.404 0.881 20 0 CCADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NC[C@@H]2CCCO2)C1 ZINC000072860764 348936768 /nfs/dbraw/zinc/93/67/68/348936768.db2.gz KTATZYPNIVVYRQ-ZNMIVQPWSA-N 2 2 297.443 0.944 20 0 CCADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NC[C@@H]2CCCO2)C1 ZINC000072860764 348936771 /nfs/dbraw/zinc/93/67/71/348936771.db2.gz KTATZYPNIVVYRQ-ZNMIVQPWSA-N 2 2 297.443 0.944 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC[C@@H]2CCCO2)C1 ZINC000072860764 348936773 /nfs/dbraw/zinc/93/67/73/348936773.db2.gz KTATZYPNIVVYRQ-ZNMIVQPWSA-N 2 2 297.443 0.944 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)NC[C@@H]2CCCO2)C1 ZINC000072860764 348936776 /nfs/dbraw/zinc/93/67/76/348936776.db2.gz KTATZYPNIVVYRQ-ZNMIVQPWSA-N 2 2 297.443 0.944 20 0 CCADLP CC[NH+]1CCN(C(=O)C2([NH+]3CCOCC3)CCCC2)CC1 ZINC000074164620 348977171 /nfs/dbraw/zinc/97/71/71/348977171.db2.gz MQFKQHJSFHVDEY-UHFFFAOYSA-N 2 2 295.427 0.796 20 0 CCADLP CC(C)CN(CC[NH+](C)C)C(=O)Cn1cc[nH+]c1 ZINC000073426982 348951161 /nfs/dbraw/zinc/95/11/61/348951161.db2.gz KIKAUDVTMCLHCD-UHFFFAOYSA-N 2 2 252.362 0.929 20 0 CCADLP O=C1OCC[C@H]1CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000120727444 350001744 /nfs/dbraw/zinc/00/17/44/350001744.db2.gz FFLDISAAFSENLL-ZIAGYGMSSA-N 2 2 282.384 0.594 20 0 CCADLP O=C1OCC[C@H]1CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000120727444 350001749 /nfs/dbraw/zinc/00/17/49/350001749.db2.gz FFLDISAAFSENLL-ZIAGYGMSSA-N 2 2 282.384 0.594 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@@H]2CCCO2)CC1 ZINC000076299954 349078987 /nfs/dbraw/zinc/07/89/87/349078987.db2.gz MVKDATFNMOATTD-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@@H]2CCCO2)CC1 ZINC000076299954 349078989 /nfs/dbraw/zinc/07/89/89/349078989.db2.gz MVKDATFNMOATTD-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)Nc1cc(-n2cc[nH+]c2)ncn1 ZINC000077488809 349111545 /nfs/dbraw/zinc/11/15/45/349111545.db2.gz PZKBAGYDTDZQLG-LBPRGKRZSA-N 2 2 288.355 0.795 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC[NH+]1CCCCC1 ZINC000081230990 349250785 /nfs/dbraw/zinc/25/07/85/349250785.db2.gz BVSWHXAGHYITFZ-UHFFFAOYSA-N 2 2 250.346 0.875 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1COCC[NH2+]1)c1cccs1 ZINC000088371676 349364141 /nfs/dbraw/zinc/36/41/41/349364141.db2.gz OOIODXSIDSGUDQ-MNOVXSKESA-N 2 2 283.397 0.455 20 0 CCADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+]([C@@H]2CCOC2=O)C1 ZINC000090003709 349420265 /nfs/dbraw/zinc/42/02/65/349420265.db2.gz FUSAZBGWXSBKAM-VXGBXAGGSA-N 2 2 263.341 0.990 20 0 CCADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+]([C@@H]2CCOC2=O)C1 ZINC000090003709 349420266 /nfs/dbraw/zinc/42/02/66/349420266.db2.gz FUSAZBGWXSBKAM-VXGBXAGGSA-N 2 2 263.341 0.990 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCOc2ccccc2)[C@H](C[NH3+])C1 ZINC000124300277 350093912 /nfs/dbraw/zinc/09/39/12/350093912.db2.gz DVMZLWRJRYOAAP-CYBMUJFWSA-N 2 2 277.368 0.557 20 0 CCADLP C[N@H+]1CCN(C(=O)CCOc2ccccc2)[C@H](C[NH3+])C1 ZINC000124300277 350093914 /nfs/dbraw/zinc/09/39/14/350093914.db2.gz DVMZLWRJRYOAAP-CYBMUJFWSA-N 2 2 277.368 0.557 20 0 CCADLP Cc1n[nH]cc1C[NH2+][C@@H](C)CC[NH+]1CCOCC1 ZINC000124288771 350094667 /nfs/dbraw/zinc/09/46/67/350094667.db2.gz SYUOOIRKPYTKBB-NSHDSACASA-N 2 2 252.362 0.919 20 0 CCADLP COc1ccccc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000124351807 350096381 /nfs/dbraw/zinc/09/63/81/350096381.db2.gz IONULATVOLBNDN-LLVKDONJSA-N 2 2 278.356 0.802 20 0 CCADLP COc1ccccc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000124351807 350096383 /nfs/dbraw/zinc/09/63/83/350096383.db2.gz IONULATVOLBNDN-LLVKDONJSA-N 2 2 278.356 0.802 20 0 CCADLP [NH3+]Cc1nc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cs1 ZINC000090931011 180064873 /nfs/dbraw/zinc/06/48/73/180064873.db2.gz CCBIKOCMNOKMIT-SNVBAGLBSA-N 2 2 280.397 0.912 20 0 CCADLP [NH3+]Cc1nc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cs1 ZINC000090931011 180064874 /nfs/dbraw/zinc/06/48/74/180064874.db2.gz CCBIKOCMNOKMIT-SNVBAGLBSA-N 2 2 280.397 0.912 20 0 CCADLP COC(=O)[C@@H](C)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000126412843 350145816 /nfs/dbraw/zinc/14/58/16/350145816.db2.gz FUDWRCYLZKEILF-GFCCVEGCSA-N 2 2 271.405 0.506 20 0 CCADLP COC(=O)[C@@H](C)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000126412843 350145820 /nfs/dbraw/zinc/14/58/20/350145820.db2.gz FUDWRCYLZKEILF-GFCCVEGCSA-N 2 2 271.405 0.506 20 0 CCADLP CC[C@@H]([NH3+])C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000130267555 350234365 /nfs/dbraw/zinc/23/43/65/350234365.db2.gz WPBSODUYDOESMI-OAHLLOKOSA-N 2 2 291.395 0.947 20 0 CCADLP CC[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000130344835 350235163 /nfs/dbraw/zinc/23/51/63/350235163.db2.gz TYKZWCLPSRRXMT-HUUCEWRRSA-N 2 2 291.395 0.913 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2ccco2)C1 ZINC000105475629 186059519 /nfs/dbraw/zinc/05/95/19/186059519.db2.gz ITGISGQVYOUDHA-GFCCVEGCSA-N 2 2 265.357 0.957 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2ccco2)C1 ZINC000105475629 186059521 /nfs/dbraw/zinc/05/95/21/186059521.db2.gz ITGISGQVYOUDHA-GFCCVEGCSA-N 2 2 265.357 0.957 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1)C(=O)OC ZINC000132410797 350306583 /nfs/dbraw/zinc/30/65/83/350306583.db2.gz OUZKFWPVRVLHAG-OPDFLTKYSA-N 2 2 299.415 0.359 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1)C(=O)OC ZINC000132410797 350306586 /nfs/dbraw/zinc/30/65/86/350306586.db2.gz OUZKFWPVRVLHAG-OPDFLTKYSA-N 2 2 299.415 0.359 20 0 CCADLP CC1CC[NH+](CC(=O)NCCn2cc[nH+]c2)CC1 ZINC000132601996 350312220 /nfs/dbraw/zinc/31/22/20/350312220.db2.gz PBVZWASUENIFCO-UHFFFAOYSA-N 2 2 250.346 0.731 20 0 CCADLP C[N@@H+]1CCN(C(=O)c2ccc3c(c2)CCN3)[C@H](C[NH3+])C1 ZINC000132704888 350314434 /nfs/dbraw/zinc/31/44/34/350314434.db2.gz OYCRVBWBYTXHRI-CYBMUJFWSA-N 2 2 274.368 0.370 20 0 CCADLP C[N@H+]1CCN(C(=O)c2ccc3c(c2)CCN3)[C@H](C[NH3+])C1 ZINC000132704888 350314438 /nfs/dbraw/zinc/31/44/38/350314438.db2.gz OYCRVBWBYTXHRI-CYBMUJFWSA-N 2 2 274.368 0.370 20 0 CCADLP O=C(CC[C@H]1CC[NH2+]C1)NCCCn1cc[nH+]c1 ZINC000134476873 350365413 /nfs/dbraw/zinc/36/54/13/350365413.db2.gz FHCGXAUPVNJZKP-LBPRGKRZSA-N 2 2 250.346 0.779 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000134489785 350366138 /nfs/dbraw/zinc/36/61/38/350366138.db2.gz KPOMQISPIVNQHG-CHWSQXEVSA-N 2 2 269.389 0.213 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000092135599 180332421 /nfs/dbraw/zinc/33/24/21/180332421.db2.gz UNLXJODCCKWUGM-NSHDSACASA-N 2 2 257.378 0.069 20 0 CCADLP O=C(CC[C@@H]1CCC[NH2+]C1)NCCc1[nH]cc[nH+]1 ZINC000139597016 350447710 /nfs/dbraw/zinc/44/77/10/350447710.db2.gz SWLNWUJIHHUXDE-NSHDSACASA-N 2 2 250.346 0.848 20 0 CCADLP CC(C)[C@@H](C(=O)N[C@H](C)C[NH+]1CCOCC1)[NH+](C)C ZINC000106431955 186116412 /nfs/dbraw/zinc/11/64/12/186116412.db2.gz IBNDUWZTFSIVCB-OLZOCXBDSA-N 2 2 271.405 0.410 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCSCC2)CC1 ZINC000151382021 350499373 /nfs/dbraw/zinc/49/93/73/350499373.db2.gz MXNAQCDMYGRCNR-CYBMUJFWSA-N 2 2 285.457 0.976 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)C2(C)CC2)CC1 ZINC000152456332 350528367 /nfs/dbraw/zinc/52/83/67/350528367.db2.gz HNJNZMZTAKWNJM-UHFFFAOYSA-N 2 2 253.390 0.929 20 0 CCADLP CC(C)CCNC(=O)[C@H](C)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107577229 186179919 /nfs/dbraw/zinc/17/99/19/186179919.db2.gz IYWUSKQLAXBJRC-YNEHKIRRSA-N 2 2 253.390 0.688 20 0 CCADLP CC[N@H+](CC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)C1CC1 ZINC000152248516 350523283 /nfs/dbraw/zinc/52/32/83/350523283.db2.gz VWVCJHVXRNJJMH-QWHCGFSZSA-N 2 2 283.416 0.696 20 0 CCADLP CC[N@@H+](CC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)C1CC1 ZINC000152248516 350523286 /nfs/dbraw/zinc/52/32/86/350523286.db2.gz VWVCJHVXRNJJMH-QWHCGFSZSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H]1OCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353094251 137511959 /nfs/dbraw/zinc/51/19/59/137511959.db2.gz VHBLSYXCMAQGJW-VAQLIOGMSA-N 2 2 295.427 0.837 20 0 CCADLP C[C@H]1OCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353094251 137511960 /nfs/dbraw/zinc/51/19/60/137511960.db2.gz VHBLSYXCMAQGJW-VAQLIOGMSA-N 2 2 295.427 0.837 20 0 CCADLP O=C(C[N@@H+]1CCCN(Cc2[nH]cc[nH+]2)CC1)N1CCCC1 ZINC000111198682 186368285 /nfs/dbraw/zinc/36/82/85/186368285.db2.gz SUVYUHZLPMWJDU-UHFFFAOYSA-N 2 2 291.399 0.540 20 0 CCADLP O=C(C[N@H+]1CCCN(Cc2[nH]cc[nH+]2)CC1)N1CCCC1 ZINC000111198682 186368286 /nfs/dbraw/zinc/36/82/86/186368286.db2.gz SUVYUHZLPMWJDU-UHFFFAOYSA-N 2 2 291.399 0.540 20 0 CCADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H](C)[NH3+])CC1 ZINC000165458116 350789645 /nfs/dbraw/zinc/78/96/45/350789645.db2.gz NAKMARFANIWRSC-SECBINFHSA-N 2 2 266.345 0.283 20 0 CCADLP CCC[NH+]1CCC([N@H+](C)CC(=O)N2CCNC2=O)CC1 ZINC000111240549 186374172 /nfs/dbraw/zinc/37/41/72/186374172.db2.gz SCIVCOWLUXGWPX-UHFFFAOYSA-N 2 2 282.388 0.344 20 0 CCADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N2CCNC2=O)CC1 ZINC000111240549 186374174 /nfs/dbraw/zinc/37/41/74/186374174.db2.gz SCIVCOWLUXGWPX-UHFFFAOYSA-N 2 2 282.388 0.344 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)NCC[NH+]1CCCC1 ZINC000172304414 350974326 /nfs/dbraw/zinc/97/43/26/350974326.db2.gz XKSQKPJOICFLHD-UHFFFAOYSA-N 2 2 292.339 0.241 20 0 CCADLP Cn1ncc2c1nc[nH+]c2N1CC[C@@H](C[NH+](C)C)C1 ZINC000172068823 350956127 /nfs/dbraw/zinc/95/61/27/350956127.db2.gz ZZOVMDGZPQZENO-JTQLQIEISA-N 2 2 260.345 0.751 20 0 CCADLP COCCCNC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177058609 351192551 /nfs/dbraw/zinc/19/25/51/351192551.db2.gz DRNHYLWZWCWJFK-QWHCGFSZSA-N 2 2 271.405 0.554 20 0 CCADLP COCCCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000177058609 351192553 /nfs/dbraw/zinc/19/25/53/351192553.db2.gz DRNHYLWZWCWJFK-QWHCGFSZSA-N 2 2 271.405 0.554 20 0 CCADLP COCCCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000177058609 351192556 /nfs/dbraw/zinc/19/25/56/351192556.db2.gz DRNHYLWZWCWJFK-QWHCGFSZSA-N 2 2 271.405 0.554 20 0 CCADLP COCCCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000177058609 351192558 /nfs/dbraw/zinc/19/25/58/351192558.db2.gz DRNHYLWZWCWJFK-QWHCGFSZSA-N 2 2 271.405 0.554 20 0 CCADLP CCO[C@H](C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177144892 351194675 /nfs/dbraw/zinc/19/46/75/351194675.db2.gz UUKVTWILDMSAMJ-GFCCVEGCSA-N 2 2 271.405 0.554 20 0 CCADLP CCC(CC)[C@H](C(=O)N[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000178396991 351230024 /nfs/dbraw/zinc/23/00/24/351230024.db2.gz CSAMYIROAKPPRC-HUUCEWRRSA-N 2 2 297.443 0.992 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000178763826 351244339 /nfs/dbraw/zinc/24/43/39/351244339.db2.gz XEFBUBPZGUFRKZ-NEPJUHHUSA-N 2 2 271.405 0.587 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000178763826 351244342 /nfs/dbraw/zinc/24/43/42/351244342.db2.gz XEFBUBPZGUFRKZ-NEPJUHHUSA-N 2 2 271.405 0.587 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N1CC[NH+](CC(C)(C)O)CC1 ZINC000180477357 351286964 /nfs/dbraw/zinc/28/69/64/351286964.db2.gz UHWKWERSYZUTHM-AWEZNQCLSA-N 2 2 285.432 0.096 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000180594075 351289847 /nfs/dbraw/zinc/28/98/47/351289847.db2.gz GMDXBPDYEBMJRL-HUUCEWRRSA-N 3 2 296.459 0.423 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000180594075 351289850 /nfs/dbraw/zinc/28/98/50/351289850.db2.gz GMDXBPDYEBMJRL-HUUCEWRRSA-N 3 2 296.459 0.423 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000180594075 351289852 /nfs/dbraw/zinc/28/98/52/351289852.db2.gz GMDXBPDYEBMJRL-HUUCEWRRSA-N 3 2 296.459 0.423 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000180594075 351289855 /nfs/dbraw/zinc/28/98/55/351289855.db2.gz GMDXBPDYEBMJRL-HUUCEWRRSA-N 3 2 296.459 0.423 20 0 CCADLP C[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000181032135 351300280 /nfs/dbraw/zinc/30/02/80/351300280.db2.gz RKZQNQCPPQDAAN-GXTWGEPZSA-N 2 2 281.400 0.308 20 0 CCADLP C[NH+](CC(O)C[N@@H+](C)C[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000181784840 351337078 /nfs/dbraw/zinc/33/70/78/351337078.db2.gz AIAWCDFHCMUPAS-GJZGRUSLSA-N 2 2 286.416 0.569 20 0 CCADLP C[NH+](CC(O)C[N@H+](C)C[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000181784840 351337080 /nfs/dbraw/zinc/33/70/80/351337080.db2.gz AIAWCDFHCMUPAS-GJZGRUSLSA-N 2 2 286.416 0.569 20 0 CCADLP CO[C@@H](C)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000182237967 351354324 /nfs/dbraw/zinc/35/43/24/351354324.db2.gz XRXIAXNIHKFBCX-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CO[C@@H](C)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000182237967 351354328 /nfs/dbraw/zinc/35/43/28/351354328.db2.gz XRXIAXNIHKFBCX-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP O=C(NCC1=CC[NH2+]CC1)c1ccc2[nH+]ccn2c1 ZINC000186376458 351493045 /nfs/dbraw/zinc/49/30/45/351493045.db2.gz WRCAYJXGRJXCSS-UHFFFAOYSA-N 2 2 256.309 0.984 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000189478226 351682882 /nfs/dbraw/zinc/68/28/82/351682882.db2.gz GIQNSHFMHVUJQM-UHFFFAOYSA-N 2 2 292.383 0.600 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)NCC[N@H+]1CCCOCC1 ZINC000189478226 351682893 /nfs/dbraw/zinc/68/28/93/351682893.db2.gz GIQNSHFMHVUJQM-UHFFFAOYSA-N 2 2 292.383 0.600 20 0 CCADLP C[C@@H](c1nnnn1C)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000189783723 351702108 /nfs/dbraw/zinc/70/21/08/351702108.db2.gz FUYUOUPGTPPPSR-NWDGAFQWSA-N 2 2 289.387 0.959 20 0 CCADLP C[C@@H](c1nnnn1C)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000189783723 351702110 /nfs/dbraw/zinc/70/21/10/351702110.db2.gz FUYUOUPGTPPPSR-NWDGAFQWSA-N 2 2 289.387 0.959 20 0 CCADLP Nc1cc(CN2CC[NH+](C[C@H]3CCOC3)CC2)cc[nH+]1 ZINC000193372637 351824851 /nfs/dbraw/zinc/82/48/51/351824851.db2.gz IVPZYRLTMRZCBZ-CQSZACIVSA-N 2 2 276.384 0.818 20 0 CCADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nnn(C)n1 ZINC000193494161 351831285 /nfs/dbraw/zinc/83/12/85/351831285.db2.gz ITLOYFLCVFOKMZ-UHFFFAOYSA-N 2 2 277.376 0.881 20 0 CCADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nnn(C)n1 ZINC000193494161 351831286 /nfs/dbraw/zinc/83/12/86/351831286.db2.gz ITLOYFLCVFOKMZ-UHFFFAOYSA-N 2 2 277.376 0.881 20 0 CCADLP C[NH2+]CC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000193133506 351812641 /nfs/dbraw/zinc/81/26/41/351812641.db2.gz RSIGAAXEZCJYFY-UHFFFAOYSA-N 2 2 265.332 0.689 20 0 CCADLP O=C([C@H]1CSC[NH2+]1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000225524748 352008385 /nfs/dbraw/zinc/00/83/85/352008385.db2.gz RTYCIYNMHFSXPF-GHMZBOCLSA-N 2 2 255.387 0.346 20 0 CCADLP O=C([C@H]1CSC[NH2+]1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000225524748 352008387 /nfs/dbraw/zinc/00/83/87/352008387.db2.gz RTYCIYNMHFSXPF-GHMZBOCLSA-N 2 2 255.387 0.346 20 0 CCADLP CN1CC[N@H+](C)[C@@H](CNC(=O)CCC2CC[NH2+]CC2)C1 ZINC000225353269 352001945 /nfs/dbraw/zinc/00/19/45/352001945.db2.gz NXJGSNDAPLHTRQ-AWEZNQCLSA-N 2 2 282.432 0.128 20 0 CCADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)CCC2CC[NH2+]CC2)C1 ZINC000225353269 352001948 /nfs/dbraw/zinc/00/19/48/352001948.db2.gz NXJGSNDAPLHTRQ-AWEZNQCLSA-N 2 2 282.432 0.128 20 0 CCADLP CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000228305981 352073260 /nfs/dbraw/zinc/07/32/60/352073260.db2.gz NRQNGPNQSNBLTM-NNYUYHANSA-N 2 2 262.419 0.455 20 0 CCADLP COCCCNC(=O)C[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000226435163 352027709 /nfs/dbraw/zinc/02/77/09/352027709.db2.gz XEZIWBRQGVQRPI-LBPRGKRZSA-N 2 2 257.378 0.071 20 0 CCADLP COCCCNC(=O)C[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000226435163 352027711 /nfs/dbraw/zinc/02/77/11/352027711.db2.gz XEZIWBRQGVQRPI-LBPRGKRZSA-N 2 2 257.378 0.071 20 0 CCADLP COc1cccc(CNC(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000227067119 352037129 /nfs/dbraw/zinc/03/71/29/352037129.db2.gz AABHVDVLZYCFBX-SWLSCSKDSA-N 2 2 291.395 0.981 20 0 CCADLP COc1cccc(CNC(=O)C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000227067119 352037132 /nfs/dbraw/zinc/03/71/32/352037132.db2.gz AABHVDVLZYCFBX-SWLSCSKDSA-N 2 2 291.395 0.981 20 0 CCADLP C[N@H+](CC(=O)NC(=O)NC1CC1)[C@@H]1CCC[NH2+]CC1 ZINC000231670553 352131626 /nfs/dbraw/zinc/13/16/26/352131626.db2.gz HORJZTYPPUIJTK-LLVKDONJSA-N 2 2 268.361 0.049 20 0 CCADLP C[N@@H+](CC(=O)NC(=O)NC1CC1)[C@@H]1CCC[NH2+]CC1 ZINC000231670553 352131627 /nfs/dbraw/zinc/13/16/27/352131627.db2.gz HORJZTYPPUIJTK-LLVKDONJSA-N 2 2 268.361 0.049 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229090181 352087366 /nfs/dbraw/zinc/08/73/66/352087366.db2.gz CAYYABHRJABAHL-NEPJUHHUSA-N 2 2 284.404 0.529 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000229090181 352087367 /nfs/dbraw/zinc/08/73/67/352087367.db2.gz CAYYABHRJABAHL-NEPJUHHUSA-N 2 2 284.404 0.529 20 0 CCADLP COCC1(C(=O)NCCCCn2cc[nH+]c2)CC[NH2+]CC1 ZINC000234654347 352164840 /nfs/dbraw/zinc/16/48/40/352164840.db2.gz OCXXYBVPARTNFO-UHFFFAOYSA-N 2 2 294.399 0.796 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000232113779 352139699 /nfs/dbraw/zinc/13/96/99/352139699.db2.gz MUCBYGPBAAGBGF-LLVKDONJSA-N 2 2 275.312 0.570 20 0 CCADLP C=Cn1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cn1 ZINC000232573968 352146053 /nfs/dbraw/zinc/14/60/53/352146053.db2.gz DQAHJSOVVHXRES-ZIAGYGMSSA-N 2 2 262.357 0.936 20 0 CCADLP C=Cn1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cn1 ZINC000232573968 352146057 /nfs/dbraw/zinc/14/60/57/352146057.db2.gz DQAHJSOVVHXRES-ZIAGYGMSSA-N 2 2 262.357 0.936 20 0 CCADLP C=Cn1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cn1 ZINC000232574099 352146347 /nfs/dbraw/zinc/14/63/47/352146347.db2.gz DQAHJSOVVHXRES-KGLIPLIRSA-N 2 2 262.357 0.936 20 0 CCADLP C=Cn1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cn1 ZINC000232574099 352146350 /nfs/dbraw/zinc/14/63/50/352146350.db2.gz DQAHJSOVVHXRES-KGLIPLIRSA-N 2 2 262.357 0.936 20 0 CCADLP CCCC[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000236754300 352209939 /nfs/dbraw/zinc/20/99/39/352209939.db2.gz RWDTYPDIIWHUCK-VXGBXAGGSA-N 2 2 257.378 0.341 20 0 CCADLP CCCC[C@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000236809176 352218346 /nfs/dbraw/zinc/21/83/46/352218346.db2.gz RWDTYPDIIWHUCK-RYUDHWBXSA-N 2 2 257.378 0.341 20 0 CCADLP CCC[C@H]([NH3+])C(=O)NCc1ccc[nH+]c1N(C)C ZINC000236884785 352224030 /nfs/dbraw/zinc/22/40/30/352224030.db2.gz XLWRSTWSXSUSSP-NSHDSACASA-N 2 2 250.346 0.891 20 0 CCADLP COC(=O)CCNC(=O)C[N@@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000603435302 363132349 /nfs/dbraw/zinc/13/23/49/363132349.db2.gz XPLJOKYJFWCYAQ-TUAOUCFPSA-N 2 2 285.388 0.113 20 0 CCADLP COC(=O)CCNC(=O)C[N@H+]1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000603435302 363132354 /nfs/dbraw/zinc/13/23/54/363132354.db2.gz XPLJOKYJFWCYAQ-TUAOUCFPSA-N 2 2 285.388 0.113 20 0 CCADLP CNC(=O)c1cccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000603708409 363155011 /nfs/dbraw/zinc/15/50/11/363155011.db2.gz OBJXCOVZNJMUDO-KBPBESRZSA-N 2 2 259.353 0.697 20 0 CCADLP C[C@@H]1CN(c2ccc(CNC(=O)C[NH3+])c[nH+]2)C[C@H](C)O1 ZINC000237695508 352280136 /nfs/dbraw/zinc/28/01/36/352280136.db2.gz IBIBYZTVJVMKOP-PHIMTYICSA-N 2 2 278.356 0.270 20 0 CCADLP [NH3+]CCC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000237859967 352286420 /nfs/dbraw/zinc/28/64/20/352286420.db2.gz MCNFCTZQMCVEPR-UHFFFAOYSA-N 2 2 272.352 0.939 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)Cn2cc[nH+]c2C)C1 ZINC000245472111 352324999 /nfs/dbraw/zinc/32/49/99/352324999.db2.gz YPVTUEOEWDQQKA-JSGCOSHPSA-N 2 2 294.399 0.665 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)Cn2cc[nH+]c2C)C1 ZINC000245472111 352325001 /nfs/dbraw/zinc/32/50/01/352325001.db2.gz YPVTUEOEWDQQKA-JSGCOSHPSA-N 2 2 294.399 0.665 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC[C@H]1[NH3+] ZINC000655418019 412564160 /nfs/dbraw/zinc/56/41/60/412564160.db2.gz NCKKJZKUVXKJIK-GRYCIOLGSA-N 2 2 262.357 0.641 20 0 CCADLP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000245932877 352343039 /nfs/dbraw/zinc/34/30/39/352343039.db2.gz QWDCNZSPATWFOE-LSDHHAIUSA-N 2 2 296.459 0.613 20 0 CCADLP CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000245932877 352343041 /nfs/dbraw/zinc/34/30/41/352343041.db2.gz QWDCNZSPATWFOE-LSDHHAIUSA-N 2 2 296.459 0.613 20 0 CCADLP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000246138496 352349880 /nfs/dbraw/zinc/34/98/80/352349880.db2.gz KEQJSGHJYDFLKU-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000246138496 352349882 /nfs/dbraw/zinc/34/98/82/352349882.db2.gz KEQJSGHJYDFLKU-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246291871 352360057 /nfs/dbraw/zinc/36/00/57/352360057.db2.gz AVRLUQWTQLYBMG-MNOVXSKESA-N 2 2 270.377 0.104 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246291871 352360060 /nfs/dbraw/zinc/36/00/60/352360060.db2.gz AVRLUQWTQLYBMG-MNOVXSKESA-N 2 2 270.377 0.104 20 0 CCADLP C[C@H](C[N@@H+]1CC[C@@H](C[NH+](C)C)C1)CS(C)(=O)=O ZINC000246663996 352377691 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COc1cc[nH+]c(CN2CC[N@H+](C[C@H](C)O)C[C@H]2C)c1 ZINC000249216174 352482071 /nfs/dbraw/zinc/48/20/71/352482071.db2.gz FDRFKGGZAKTMSH-OLZOCXBDSA-N 2 2 279.384 0.977 20 0 CCADLP COc1cc[nH+]c(CN2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c1 ZINC000249216174 352482073 /nfs/dbraw/zinc/48/20/73/352482073.db2.gz FDRFKGGZAKTMSH-OLZOCXBDSA-N 2 2 279.384 0.977 20 0 CCADLP O=C1CCC(=O)N1CC[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250815788 352508065 /nfs/dbraw/zinc/50/80/65/352508065.db2.gz FEHAPUHLRUWBQQ-OLZOCXBDSA-N 2 2 279.384 0.742 20 0 CCADLP O=C1CCC(=O)N1CC[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250815788 352508068 /nfs/dbraw/zinc/50/80/68/352508068.db2.gz FEHAPUHLRUWBQQ-OLZOCXBDSA-N 2 2 279.384 0.742 20 0 CCADLP C[C@H]1CN(C(=O)[C@H]2CCCC[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000262662618 352589071 /nfs/dbraw/zinc/58/90/71/352589071.db2.gz ZKHNFNCNIZLMJO-BFHYXJOUSA-N 2 2 281.400 0.308 20 0 CCADLP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261578764 352561773 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C[C@]1(C[N@@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)CC[NH2+]C1 ZINC000262144672 352583452 /nfs/dbraw/zinc/58/34/52/352583452.db2.gz ZLNDFKHRKPBPNK-OBJOEFQTSA-N 2 2 251.374 0.729 20 0 CCADLP C[C@]1(C[N@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)CC[NH2+]C1 ZINC000262144672 352583455 /nfs/dbraw/zinc/58/34/55/352583455.db2.gz ZLNDFKHRKPBPNK-OBJOEFQTSA-N 2 2 251.374 0.729 20 0 CCADLP CCc1cc(NCC[NH+]2CCN(C(C)=O)CC2)nc(C)[nH+]1 ZINC000266027426 352678387 /nfs/dbraw/zinc/67/83/87/352678387.db2.gz RASQFSJZOXRMLV-UHFFFAOYSA-N 2 2 291.399 0.923 20 0 CCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000266873318 352728290 /nfs/dbraw/zinc/72/82/90/352728290.db2.gz YLBOKHXWCPCGIZ-DGCLKSJQSA-N 2 2 280.372 0.274 20 0 CCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000266873318 352728291 /nfs/dbraw/zinc/72/82/91/352728291.db2.gz YLBOKHXWCPCGIZ-DGCLKSJQSA-N 2 2 280.372 0.274 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266885698 352729262 /nfs/dbraw/zinc/72/92/62/352729262.db2.gz BEWASJKSAYXUNS-DTWKUNHWSA-N 2 2 265.317 0.173 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266885698 352729266 /nfs/dbraw/zinc/72/92/66/352729266.db2.gz BEWASJKSAYXUNS-DTWKUNHWSA-N 2 2 265.317 0.173 20 0 CCADLP O[C@@H](C[NH2+]Cc1cn2cccnc2n1)C[NH+]1CCCC1 ZINC000268201284 352816714 /nfs/dbraw/zinc/81/67/14/352816714.db2.gz YXHRIMIWGLRIHF-ZDUSSCGKSA-N 2 2 275.356 0.276 20 0 CCADLP CCOCCNC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267833315 352793316 /nfs/dbraw/zinc/79/33/16/352793316.db2.gz XADUPNDRWXIEIR-UHFFFAOYSA-N 2 2 280.372 0.742 20 0 CCADLP C[C@@H](CC[NH+](C)C)Nc1[nH+]cnc(-n2cccn2)c1N ZINC000269665143 352861520 /nfs/dbraw/zinc/86/15/20/352861520.db2.gz XLBNSIBLQFRMRJ-JTQLQIEISA-N 2 2 275.360 0.997 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000269714504 352867915 /nfs/dbraw/zinc/86/79/15/352867915.db2.gz VSMFQXMENLCYHF-NEPJUHHUSA-N 2 2 282.413 0.825 20 0 CCADLP CC[C@H]1C(=O)NCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000270689687 352968240 /nfs/dbraw/zinc/96/82/40/352968240.db2.gz VWUFUFHTRMKWDQ-LBPRGKRZSA-N 2 2 250.346 0.792 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)N(C)Cc2[nH+]ccn2C)CC1 ZINC000272506785 353069504 /nfs/dbraw/zinc/06/95/04/353069504.db2.gz FMNNAGSDECYITR-CYBMUJFWSA-N 2 2 293.415 0.405 20 0 CCADLP CCC[C@H]([NH3+])C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000272299010 353051020 /nfs/dbraw/zinc/05/10/20/353051020.db2.gz GRTRUIKSAVTVQR-NSHDSACASA-N 2 2 250.346 0.891 20 0 CCADLP Cc1nc(N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)cc[nH+]1 ZINC000418998303 234281581 /nfs/dbraw/zinc/28/15/81/234281581.db2.gz HMHZXPKJBLXSIV-GHMZBOCLSA-N 2 2 250.346 0.676 20 0 CCADLP Cc1nc(N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)cc[nH+]1 ZINC000418998303 234281584 /nfs/dbraw/zinc/28/15/84/234281584.db2.gz HMHZXPKJBLXSIV-GHMZBOCLSA-N 2 2 250.346 0.676 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]Cc1c[nH]c(C(=O)OC)c1 ZINC000274393032 353125723 /nfs/dbraw/zinc/12/57/23/353125723.db2.gz LDDRPNBTGKGHQA-UHFFFAOYSA-N 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291022513 /nfs/dbraw/zinc/02/25/13/291022513.db2.gz FZHZZPOSAQCLCV-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)NC(=O)NC1CCCC1 ZINC000315067730 354223786 /nfs/dbraw/zinc/22/37/86/354223786.db2.gz LFKVZIYNFBJVOV-AAEUAGOBSA-N 2 2 294.399 0.439 20 0 CCADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)NC(=O)NC1CCCC1 ZINC000315067730 354223788 /nfs/dbraw/zinc/22/37/88/354223788.db2.gz LFKVZIYNFBJVOV-AAEUAGOBSA-N 2 2 294.399 0.439 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CCNS(=O)(=O)CC)C[C@@H]1C ZINC000330365332 354327851 /nfs/dbraw/zinc/32/78/51/354327851.db2.gz KZXYKVJGWQRVNO-QWHCGFSZSA-N 2 2 291.461 0.730 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CCNS(=O)(=O)CC)C[C@@H]1C ZINC000330365332 354327853 /nfs/dbraw/zinc/32/78/53/354327853.db2.gz KZXYKVJGWQRVNO-QWHCGFSZSA-N 2 2 291.461 0.730 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CCNS(=O)(=O)CC)C[C@@H]1C ZINC000330365332 354327855 /nfs/dbraw/zinc/32/78/55/354327855.db2.gz KZXYKVJGWQRVNO-QWHCGFSZSA-N 2 2 291.461 0.730 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CCNS(=O)(=O)CC)C[C@@H]1C ZINC000330365332 354327857 /nfs/dbraw/zinc/32/78/57/354327857.db2.gz KZXYKVJGWQRVNO-QWHCGFSZSA-N 2 2 291.461 0.730 20 0 CCADLP CC[NH2+]CCCNC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000557205116 291026917 /nfs/dbraw/zinc/02/69/17/291026917.db2.gz QHWVRLJXEUQXJY-UHFFFAOYSA-N 2 2 284.404 0.150 20 0 CCADLP COCC[NH+]1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000331066455 354435758 /nfs/dbraw/zinc/43/57/58/354435758.db2.gz QBFUTEZSWFSVDA-UHFFFAOYSA-N 2 2 266.345 0.133 20 0 CCADLP COCC[NH+]1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000331066455 354435762 /nfs/dbraw/zinc/43/57/62/354435762.db2.gz QBFUTEZSWFSVDA-UHFFFAOYSA-N 2 2 266.345 0.133 20 0 CCADLP C[C@H](NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000423369372 299216570 /nfs/dbraw/zinc/21/65/70/299216570.db2.gz BUUDBVGNNWYCOB-RFGFWPKPSA-N 2 2 283.416 0.600 20 0 CCADLP C[C@H](CNC(=O)[C@]1(C)CCC[NH2+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488400 412591379 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C[C@@H](C[NH+]1CCOCC1)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000557524807 291034912 /nfs/dbraw/zinc/03/49/12/291034912.db2.gz MOIFKZLENGBCDH-LBPRGKRZSA-N 2 2 269.389 0.165 20 0 CCADLP C[N@@H+]1CC[C@@H](CNC(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000373317939 283041542 /nfs/dbraw/zinc/04/15/42/283041542.db2.gz OPSWTBGEMTUKGM-ZDUSSCGKSA-N 2 2 281.400 0.309 20 0 CCADLP C[N@H+]1CC[C@@H](CNC(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000373317939 283041544 /nfs/dbraw/zinc/04/15/44/283041544.db2.gz OPSWTBGEMTUKGM-ZDUSSCGKSA-N 2 2 281.400 0.309 20 0 CCADLP O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NC[C@H]1CCC[NH2+]C1 ZINC000333768278 354790236 /nfs/dbraw/zinc/79/02/36/354790236.db2.gz BOQADZBXUYXVTI-MELADBBJSA-N 2 2 296.415 0.148 20 0 CCADLP O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NC[C@H]1CCC[NH2+]C1 ZINC000333768278 354790240 /nfs/dbraw/zinc/79/02/40/354790240.db2.gz BOQADZBXUYXVTI-MELADBBJSA-N 2 2 296.415 0.148 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000333846489 354804194 /nfs/dbraw/zinc/80/41/94/354804194.db2.gz PFXQASMWTNEEOX-MGPQQGTHSA-N 2 2 296.415 0.243 20 0 CCADLP C[NH2+][C@H]1CCCN(C(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000333857792 354805847 /nfs/dbraw/zinc/80/58/47/354805847.db2.gz YQWJPIKDRABNLB-ZDUSSCGKSA-N 2 2 296.415 0.245 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000333890610 354810941 /nfs/dbraw/zinc/81/09/41/354810941.db2.gz YCOVAKKLYJTRDC-HNNXBMFYSA-N 2 2 298.431 0.350 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[NH2+]C[C@@H]1C ZINC000334596623 354905524 /nfs/dbraw/zinc/90/55/24/354905524.db2.gz FSCQDBJHTHLWIR-MNOVXSKESA-N 2 2 251.334 0.275 20 0 CCADLP C[C@H]1C[N@H+](C)CCN1C(=O)CCc1c[nH+]cn1C ZINC000335858246 355029917 /nfs/dbraw/zinc/02/99/17/355029917.db2.gz OWYIZTWVZBIAQW-NSHDSACASA-N 2 2 250.346 0.515 20 0 CCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)CCc1c[nH+]cn1C ZINC000335858246 355029920 /nfs/dbraw/zinc/02/99/20/355029920.db2.gz OWYIZTWVZBIAQW-NSHDSACASA-N 2 2 250.346 0.515 20 0 CCADLP Nc1cc[nH+]cc1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000423754285 235057948 /nfs/dbraw/zinc/05/79/48/235057948.db2.gz HURKYXJYULIJSL-LLVKDONJSA-N 2 2 276.340 0.087 20 0 CCADLP Nc1cc[nH+]cc1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000423754285 235057954 /nfs/dbraw/zinc/05/79/54/235057954.db2.gz HURKYXJYULIJSL-LLVKDONJSA-N 2 2 276.340 0.087 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C(C)(C)[NH3+])C[C@H](C)O1 ZINC000423767829 235069002 /nfs/dbraw/zinc/06/90/02/235069002.db2.gz XHJDTMZPSYVQQX-PHIMTYICSA-N 2 2 257.378 0.291 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C(C)(C)[NH3+])C[C@H](C)O1 ZINC000423767829 235069003 /nfs/dbraw/zinc/06/90/03/235069003.db2.gz XHJDTMZPSYVQQX-PHIMTYICSA-N 2 2 257.378 0.291 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@](C)(O)C2CC2)n1C ZINC000336794272 355167167 /nfs/dbraw/zinc/16/71/67/355167167.db2.gz ASZZQXMVQQKFKS-CYBMUJFWSA-N 2 2 252.362 0.737 20 0 CCADLP O=C(NC[C@@H]1C[NH2+]CCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000423996834 235136841 /nfs/dbraw/zinc/13/68/41/235136841.db2.gz XLUYKRYQHFYBHR-AWEZNQCLSA-N 2 2 286.335 0.591 20 0 CCADLP C[C@@H]1C[C@H]([NH+](C)CCN2CCCS2(=O)=O)CC[N@@H+]1C ZINC000336800178 355174192 /nfs/dbraw/zinc/17/41/92/355174192.db2.gz LFURRYXUVPQWBY-CHWSQXEVSA-N 2 2 289.445 0.436 20 0 CCADLP C[C@@H]1C[C@H]([NH+](C)CCN2CCCS2(=O)=O)CC[N@H+]1C ZINC000336800178 355174195 /nfs/dbraw/zinc/17/41/95/355174195.db2.gz LFURRYXUVPQWBY-CHWSQXEVSA-N 2 2 289.445 0.436 20 0 CCADLP C[C@@H]1C[C@H]([N@H+](C)CCN2CCCS2(=O)=O)CC[NH+]1C ZINC000336800178 355174198 /nfs/dbraw/zinc/17/41/98/355174198.db2.gz LFURRYXUVPQWBY-CHWSQXEVSA-N 2 2 289.445 0.436 20 0 CCADLP C[C@@H]1C[C@H]([N@@H+](C)CCN2CCCS2(=O)=O)CC[NH+]1C ZINC000336800178 355174201 /nfs/dbraw/zinc/17/42/01/355174201.db2.gz LFURRYXUVPQWBY-CHWSQXEVSA-N 2 2 289.445 0.436 20 0 CCADLP c1cc(O[C@@H]2CC[N@@H+](C[C@@H]3COCCO3)C2)cc[nH+]1 ZINC000336803521 355179055 /nfs/dbraw/zinc/17/90/55/355179055.db2.gz YSFSVMAYSZNVJT-ZIAGYGMSSA-N 2 2 264.325 0.950 20 0 CCADLP c1cc(O[C@@H]2CC[N@H+](C[C@@H]3COCCO3)C2)cc[nH+]1 ZINC000336803521 355179058 /nfs/dbraw/zinc/17/90/58/355179058.db2.gz YSFSVMAYSZNVJT-ZIAGYGMSSA-N 2 2 264.325 0.950 20 0 CCADLP O=C(C[C@@H]1CC[NH2+]C1)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424188763 235174759 /nfs/dbraw/zinc/17/47/59/235174759.db2.gz JUZPCRJPJFQOLM-UWVGGRQHSA-N 2 2 261.316 0.347 20 0 CCADLP O=C(C[C@H]1CSCC[NH2+]1)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424195326 235175377 /nfs/dbraw/zinc/17/53/77/235175377.db2.gz SRKOUAXUHAGVGF-ZJUUUORDSA-N 2 2 293.383 0.443 20 0 CCADLP C[N@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000336814235 355188279 /nfs/dbraw/zinc/18/82/79/355188279.db2.gz FDCVHHLUQZGUBF-OLZOCXBDSA-N 2 2 289.445 0.436 20 0 CCADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000336814235 355188281 /nfs/dbraw/zinc/18/82/81/355188281.db2.gz FDCVHHLUQZGUBF-OLZOCXBDSA-N 2 2 289.445 0.436 20 0 CCADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000336814235 355188284 /nfs/dbraw/zinc/18/82/84/355188284.db2.gz FDCVHHLUQZGUBF-OLZOCXBDSA-N 2 2 289.445 0.436 20 0 CCADLP C[NH+](CC[C@H]1CCC[N@H+]1C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000336814235 355188286 /nfs/dbraw/zinc/18/82/86/355188286.db2.gz FDCVHHLUQZGUBF-OLZOCXBDSA-N 2 2 289.445 0.436 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+](C)CCCn1cc[nH+]c1)C1CC1 ZINC000336818065 355191145 /nfs/dbraw/zinc/19/11/45/355191145.db2.gz TVZPQFRAILNSBU-CQSZACIVSA-N 3 2 266.389 0.660 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+](C)CCCn1cc[nH+]c1)C1CC1 ZINC000336818065 355191146 /nfs/dbraw/zinc/19/11/46/355191146.db2.gz TVZPQFRAILNSBU-CQSZACIVSA-N 3 2 266.389 0.660 20 0 CCADLP C[NH+](CCCn1cc[nH+]c1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336818065 355191147 /nfs/dbraw/zinc/19/11/47/355191147.db2.gz TVZPQFRAILNSBU-CQSZACIVSA-N 3 2 266.389 0.660 20 0 CCADLP C[NH+](CCCn1cc[nH+]c1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336818065 355191148 /nfs/dbraw/zinc/19/11/48/355191148.db2.gz TVZPQFRAILNSBU-CQSZACIVSA-N 3 2 266.389 0.660 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+](C)CCCn1ccnc1)C1CC1 ZINC000336818065 355191149 /nfs/dbraw/zinc/19/11/49/355191149.db2.gz TVZPQFRAILNSBU-CQSZACIVSA-N 2 2 266.389 0.660 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+](C)CCCn1ccnc1)C1CC1 ZINC000336818065 355191150 /nfs/dbraw/zinc/19/11/50/355191150.db2.gz TVZPQFRAILNSBU-CQSZACIVSA-N 2 2 266.389 0.660 20 0 CCADLP C[NH+](CCCn1ccnc1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336818065 355191151 /nfs/dbraw/zinc/19/11/51/355191151.db2.gz TVZPQFRAILNSBU-CQSZACIVSA-N 2 2 266.389 0.660 20 0 CCADLP C[NH+](CCCn1ccnc1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000336818065 355191152 /nfs/dbraw/zinc/19/11/52/355191152.db2.gz TVZPQFRAILNSBU-CQSZACIVSA-N 2 2 266.389 0.660 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424154220 235163642 /nfs/dbraw/zinc/16/36/42/235163642.db2.gz LGPOEJDRSIZTAY-NSHDSACASA-N 2 2 286.339 0.580 20 0 CCADLP C[C@@H]1CN(CC[N@H+](C)C[C@@H]2CCC[NH+](C)C2)CCO1 ZINC000337259564 355292809 /nfs/dbraw/zinc/29/28/09/355292809.db2.gz WDVNYSJPOYUOED-HUUCEWRRSA-N 2 2 269.433 0.981 20 0 CCADLP C[C@@H]1CN(CC[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)CCO1 ZINC000337259564 355292813 /nfs/dbraw/zinc/29/28/13/355292813.db2.gz WDVNYSJPOYUOED-HUUCEWRRSA-N 2 2 269.433 0.981 20 0 CCADLP C[C@@H]1C[NH+](CCN(C)C[C@@H]2CCC[N@H+](C)C2)CCO1 ZINC000337259564 355292837 /nfs/dbraw/zinc/29/28/37/355292837.db2.gz WDVNYSJPOYUOED-HUUCEWRRSA-N 2 2 269.433 0.981 20 0 CCADLP C[C@@H]1C[NH+](CCN(C)C[C@@H]2CCC[N@@H+](C)C2)CCO1 ZINC000337259564 355292842 /nfs/dbraw/zinc/29/28/42/355292842.db2.gz WDVNYSJPOYUOED-HUUCEWRRSA-N 2 2 269.433 0.981 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338171743 355310763 /nfs/dbraw/zinc/31/07/63/355310763.db2.gz CCOQPPJTXSRQPK-CHWSQXEVSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338171743 355310766 /nfs/dbraw/zinc/31/07/66/355310766.db2.gz CCOQPPJTXSRQPK-CHWSQXEVSA-N 2 2 283.416 0.648 20 0 CCADLP CCOC(=O)C(C)(C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000338320803 355320898 /nfs/dbraw/zinc/32/08/98/355320898.db2.gz UQMGMDCJJYOZFU-UHFFFAOYSA-N 2 2 285.388 0.082 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000339067696 355480997 /nfs/dbraw/zinc/48/09/97/355480997.db2.gz CAGNAGVCLWAJDY-KKUMJFAQSA-N 3 2 294.443 0.543 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000339067696 355481000 /nfs/dbraw/zinc/48/10/00/355481000.db2.gz CAGNAGVCLWAJDY-KKUMJFAQSA-N 3 2 294.443 0.543 20 0 CCADLP NC(=O)[C@@H]1CCC[NH+]1CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339067696 355481004 /nfs/dbraw/zinc/48/10/04/355481004.db2.gz CAGNAGVCLWAJDY-KKUMJFAQSA-N 3 2 294.443 0.543 20 0 CCADLP NC(=O)[C@@H]1CCC[NH+]1CCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339067696 355481008 /nfs/dbraw/zinc/48/10/08/355481008.db2.gz CAGNAGVCLWAJDY-KKUMJFAQSA-N 3 2 294.443 0.543 20 0 CCADLP C[C@@H]1COCCN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340250576 355537811 /nfs/dbraw/zinc/53/78/11/355537811.db2.gz HSUODONFJPKHDL-CYBMUJFWSA-N 2 2 298.431 0.443 20 0 CCADLP COCC(C)(C)[NH+]1CCN([C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000425512540 235303409 /nfs/dbraw/zinc/30/34/09/235303409.db2.gz YLWZICBXBDJECH-HNNXBMFYSA-N 2 2 299.459 0.750 20 0 CCADLP CO[C@@H](C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1)C1CC1 ZINC000425398343 235293132 /nfs/dbraw/zinc/29/31/32/235293132.db2.gz CBAIZAAOENXNNW-ZDUSSCGKSA-N 2 2 264.373 0.952 20 0 CCADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cn(C)nn2)C1 ZINC000341562162 355692972 /nfs/dbraw/zinc/69/29/72/355692972.db2.gz DNYJYLMAWKGUIT-CQSZACIVSA-N 2 2 281.404 0.748 20 0 CCADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cn(C)nn2)C1 ZINC000341562162 355692975 /nfs/dbraw/zinc/69/29/75/355692975.db2.gz DNYJYLMAWKGUIT-CQSZACIVSA-N 2 2 281.404 0.748 20 0 CCADLP Cc1c[nH+]c(CN2CCN(CC[NH+]3CCCC3)CC2)n1C ZINC000342794171 355747780 /nfs/dbraw/zinc/74/77/80/355747780.db2.gz UAXRJXQTNJFEBN-UHFFFAOYSA-N 2 2 291.443 0.942 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000342254233 355728868 /nfs/dbraw/zinc/72/88/68/355728868.db2.gz SYZVNAKDCWWQSD-MGPQQGTHSA-N 2 2 281.400 0.402 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)[C@H]1CCC[N@H+]1C ZINC000342254233 355728872 /nfs/dbraw/zinc/72/88/72/355728872.db2.gz SYZVNAKDCWWQSD-MGPQQGTHSA-N 2 2 281.400 0.402 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428035149 235390688 /nfs/dbraw/zinc/39/06/88/235390688.db2.gz UYOHHYQJQKNVAW-YIYPIFLZSA-N 2 2 281.400 0.354 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428035149 235390690 /nfs/dbraw/zinc/39/06/90/235390690.db2.gz UYOHHYQJQKNVAW-YIYPIFLZSA-N 2 2 281.400 0.354 20 0 CCADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)s1 ZINC000348355096 355917628 /nfs/dbraw/zinc/91/76/28/355917628.db2.gz KCPZNMFHEMSSDM-CYBMUJFWSA-N 2 2 282.413 0.902 20 0 CCADLP CO[C@@]1(C)CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000348204563 355886792 /nfs/dbraw/zinc/88/67/92/355886792.db2.gz HDIHWRUYLBRIFI-AWEZNQCLSA-N 2 2 269.389 0.261 20 0 CCADLP CO[C@@]1(C)CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000348204563 355886800 /nfs/dbraw/zinc/88/68/00/355886800.db2.gz HDIHWRUYLBRIFI-AWEZNQCLSA-N 2 2 269.389 0.261 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000351857232 356007126 /nfs/dbraw/zinc/00/71/26/356007126.db2.gz XAQDAZTWYKIZRK-YUMQZZPRSA-N 2 2 296.293 0.044 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000351857232 356007128 /nfs/dbraw/zinc/00/71/28/356007128.db2.gz XAQDAZTWYKIZRK-YUMQZZPRSA-N 2 2 296.293 0.044 20 0 CCADLP CC[N@@H+]1CCN(CC[NH+]2CCOC[C@@H]2C)[C@@H](C)C1 ZINC000352667972 356047192 /nfs/dbraw/zinc/04/71/92/356047192.db2.gz ONSMHQCFHYLDKB-KBPBESRZSA-N 2 2 255.406 0.733 20 0 CCADLP CC[N@H+]1CCN(CC[NH+]2CCOC[C@@H]2C)[C@@H](C)C1 ZINC000352667972 356047194 /nfs/dbraw/zinc/04/71/94/356047194.db2.gz ONSMHQCFHYLDKB-KBPBESRZSA-N 2 2 255.406 0.733 20 0 CCADLP CC[NH+]1CCN(CC[N@@H+]2CCOC[C@@H]2C)[C@@H](C)C1 ZINC000352667972 356047195 /nfs/dbraw/zinc/04/71/95/356047195.db2.gz ONSMHQCFHYLDKB-KBPBESRZSA-N 2 2 255.406 0.733 20 0 CCADLP CC[NH+]1CCN(CC[N@H+]2CCOC[C@@H]2C)[C@@H](C)C1 ZINC000352667972 356047197 /nfs/dbraw/zinc/04/71/97/356047197.db2.gz ONSMHQCFHYLDKB-KBPBESRZSA-N 2 2 255.406 0.733 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N1CCn2c[nH+]cc2C1 ZINC000352728453 356064614 /nfs/dbraw/zinc/06/46/14/356064614.db2.gz VVSVVZLQXPSUHO-UHFFFAOYSA-N 2 2 286.401 0.370 20 0 CCADLP COCCc1noc(C[N@@H+]2CCCC[C@H]2CC[NH3+])n1 ZINC000352488787 356013503 /nfs/dbraw/zinc/01/35/03/356013503.db2.gz USSZGMJBKOXDAK-NSHDSACASA-N 2 2 268.361 0.962 20 0 CCADLP COCCc1noc(C[N@H+]2CCCC[C@H]2CC[NH3+])n1 ZINC000352488787 356013504 /nfs/dbraw/zinc/01/35/04/356013504.db2.gz USSZGMJBKOXDAK-NSHDSACASA-N 2 2 268.361 0.962 20 0 CCADLP O=S1(=O)CC[C@H]2C[N@H+](CCCn3cc[nH+]c3)C[C@@H]21 ZINC000352977000 356124384 /nfs/dbraw/zinc/12/43/84/356124384.db2.gz MZHZZDNQHVCASR-RYUDHWBXSA-N 2 2 269.370 0.392 20 0 CCADLP O=S1(=O)CC[C@H]2C[N@@H+](CCCn3cc[nH+]c3)C[C@@H]21 ZINC000352977000 356124388 /nfs/dbraw/zinc/12/43/88/356124388.db2.gz MZHZZDNQHVCASR-RYUDHWBXSA-N 2 2 269.370 0.392 20 0 CCADLP COCC[C@@H](CO)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352852065 356096225 /nfs/dbraw/zinc/09/62/25/356096225.db2.gz DEQNEPJDVNDFDN-JTQLQIEISA-N 2 2 273.402 0.692 20 0 CCADLP CNC(=O)COc1cccc(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000353119693 356159524 /nfs/dbraw/zinc/15/95/24/356159524.db2.gz OUXBOJCSKTVENM-SWLSCSKDSA-N 2 2 291.395 0.851 20 0 CCADLP CNC(=O)COc1cccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000353119693 356159526 /nfs/dbraw/zinc/15/95/26/356159526.db2.gz OUXBOJCSKTVENM-SWLSCSKDSA-N 2 2 291.395 0.851 20 0 CCADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H](CS(C)(=O)=O)C2CC2)C1 ZINC000559765845 291087790 /nfs/dbraw/zinc/08/77/90/291087790.db2.gz DDQMDJCSIQQYMP-YPMHNXCESA-N 2 2 274.430 0.741 20 0 CCADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H](CS(C)(=O)=O)C2CC2)C1 ZINC000559765845 291087793 /nfs/dbraw/zinc/08/77/93/291087793.db2.gz DDQMDJCSIQQYMP-YPMHNXCESA-N 2 2 274.430 0.741 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C1CCC(O)CC1 ZINC000353519077 356244235 /nfs/dbraw/zinc/24/42/35/356244235.db2.gz MAEMVUHQPQIBPD-WXRRBKDZSA-N 2 2 269.389 0.219 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C1CCC(O)CC1 ZINC000353519077 356244237 /nfs/dbraw/zinc/24/42/37/356244237.db2.gz MAEMVUHQPQIBPD-WXRRBKDZSA-N 2 2 269.389 0.219 20 0 CCADLP Cn1cc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c(C(F)F)n1 ZINC000360966619 138017089 /nfs/dbraw/zinc/01/70/89/138017089.db2.gz QGPJKZPEXXBDQM-NSHDSACASA-N 2 2 288.342 0.904 20 0 CCADLP C[C@H](C(=O)NCCCC[NH+](C)C)[NH+]1CCN(C)CC1 ZINC000353814102 356299693 /nfs/dbraw/zinc/29/96/93/356299693.db2.gz KLUPCXYNSPPOTM-CYBMUJFWSA-N 2 2 270.421 0.080 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361082530 138021269 /nfs/dbraw/zinc/02/12/69/138021269.db2.gz VQYXGGSIXUCQAL-CHWSQXEVSA-N 2 2 262.357 0.778 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCC[C@@H](C(N)=O)C2)CC[N@@H+]1C ZINC000361174493 138024150 /nfs/dbraw/zinc/02/41/50/138024150.db2.gz XVFHWFZEZWUHCV-KFWWJZLASA-N 3 2 296.459 0.646 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCC[C@@H](C(N)=O)C2)CC[N@H+]1C ZINC000361174493 138024151 /nfs/dbraw/zinc/02/41/51/138024151.db2.gz XVFHWFZEZWUHCV-KFWWJZLASA-N 3 2 296.459 0.646 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC[NH+]1C ZINC000361174493 138024152 /nfs/dbraw/zinc/02/41/52/138024152.db2.gz XVFHWFZEZWUHCV-KFWWJZLASA-N 3 2 296.459 0.646 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC[NH+]1C ZINC000361174493 138024153 /nfs/dbraw/zinc/02/41/53/138024153.db2.gz XVFHWFZEZWUHCV-KFWWJZLASA-N 3 2 296.459 0.646 20 0 CCADLP Cc1cc(NC(=O)NCCNc2cc[nH+]cc2)cc[nH+]1 ZINC000361831845 138036460 /nfs/dbraw/zinc/03/64/60/138036460.db2.gz XQOQVNBOIXKHTH-UHFFFAOYSA-N 2 2 271.324 0.862 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000354281013 356380952 /nfs/dbraw/zinc/38/09/52/356380952.db2.gz GCLUQGVZWYOWAH-CHWSQXEVSA-N 2 2 292.383 0.597 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000354281013 356380954 /nfs/dbraw/zinc/38/09/54/356380954.db2.gz GCLUQGVZWYOWAH-CHWSQXEVSA-N 2 2 292.383 0.597 20 0 CCADLP O=C(NCc1c[nH+]c[nH]1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000362802315 138075129 /nfs/dbraw/zinc/07/51/29/138075129.db2.gz SPFWFNNEQKLXQQ-NSHDSACASA-N 2 2 274.328 0.461 20 0 CCADLP O=C(NCc1c[nH]c[nH+]1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000362802315 138075130 /nfs/dbraw/zinc/07/51/30/138075130.db2.gz SPFWFNNEQKLXQQ-NSHDSACASA-N 2 2 274.328 0.461 20 0 CCADLP CC(C)OCCC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362826361 138076065 /nfs/dbraw/zinc/07/60/65/138076065.db2.gz NDQHIELSURTPOP-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP CC(C)OCCC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362826361 138076066 /nfs/dbraw/zinc/07/60/66/138076066.db2.gz NDQHIELSURTPOP-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP COCCCC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362839020 138076555 /nfs/dbraw/zinc/07/65/55/138076555.db2.gz PPKRYFKHQARGBE-CYBMUJFWSA-N 2 2 269.389 0.309 20 0 CCADLP COCCCC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362839020 138076556 /nfs/dbraw/zinc/07/65/56/138076556.db2.gz PPKRYFKHQARGBE-CYBMUJFWSA-N 2 2 269.389 0.309 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000362697033 138070457 /nfs/dbraw/zinc/07/04/57/138070457.db2.gz HLAFBLCCYXNSED-KBPBESRZSA-N 2 2 281.400 0.309 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000362697033 138070458 /nfs/dbraw/zinc/07/04/58/138070458.db2.gz HLAFBLCCYXNSED-KBPBESRZSA-N 2 2 281.400 0.309 20 0 CCADLP O=C(NCc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CCC[NH2+]1 ZINC000363019845 138084806 /nfs/dbraw/zinc/08/48/06/138084806.db2.gz QYKBNXCEZLHJDL-LBPRGKRZSA-N 2 2 271.324 0.636 20 0 CCADLP CCOC(=O)c1coc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1 ZINC000354643331 356461698 /nfs/dbraw/zinc/46/16/98/356461698.db2.gz FVGAWKLMMJYLPB-CQSZACIVSA-N 2 2 282.340 0.613 20 0 CCADLP CCOC(=O)c1coc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000354643331 356461700 /nfs/dbraw/zinc/46/17/00/356461700.db2.gz FVGAWKLMMJYLPB-CQSZACIVSA-N 2 2 282.340 0.613 20 0 CCADLP O=C(NCCNc1cccc[nH+]1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655605538 412629576 /nfs/dbraw/zinc/62/95/76/412629576.db2.gz RSQFOYQTQVJHRD-SWLSCSKDSA-N 2 2 274.368 0.999 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157500 363475765 /nfs/dbraw/zinc/47/57/65/363475765.db2.gz XBOUNYJBHMBGJD-RYUDHWBXSA-N 2 2 293.371 0.754 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609157500 363475768 /nfs/dbraw/zinc/47/57/68/363475768.db2.gz XBOUNYJBHMBGJD-RYUDHWBXSA-N 2 2 293.371 0.754 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC000355864696 356662282 /nfs/dbraw/zinc/66/22/82/356662282.db2.gz OMQDYXHSGNVXEY-NSHDSACASA-N 2 2 280.372 0.950 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)N(C)CC[NH+](C)C ZINC000356037395 356690622 /nfs/dbraw/zinc/69/06/22/356690622.db2.gz JBXOIEZPEWPSOG-UHFFFAOYSA-N 2 2 279.388 0.851 20 0 CCADLP C[NH+]1CCC(CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000336333923 213180845 /nfs/dbraw/zinc/18/08/45/213180845.db2.gz GNHCEXKTDTVTSC-LBPRGKRZSA-N 2 2 291.399 0.908 20 0 CCADLP C[NH+]1CCC(CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000336333923 213180848 /nfs/dbraw/zinc/18/08/48/213180848.db2.gz GNHCEXKTDTVTSC-LBPRGKRZSA-N 2 2 291.399 0.908 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000329034747 202161677 /nfs/dbraw/zinc/16/16/77/202161677.db2.gz MMHYLZXAFQRUHI-ZDUSSCGKSA-N 2 2 277.328 0.022 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@]2(C1)NC(=O)N(C)C2=O ZINC000329034747 202161681 /nfs/dbraw/zinc/16/16/81/202161681.db2.gz MMHYLZXAFQRUHI-ZDUSSCGKSA-N 2 2 277.328 0.022 20 0 CCADLP C[C@H](C(=O)N1CCC[C@@H]([NH+](C)C)C1)[NH+]1CCN(C)CC1 ZINC000358578227 356779464 /nfs/dbraw/zinc/77/94/64/356779464.db2.gz YSPZSTVFJVZIGT-ZIAGYGMSSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(c2cc[nH+]c(N(C)C)n2)[C@@H](C)C1 ZINC000359647027 356863808 /nfs/dbraw/zinc/86/38/08/356863808.db2.gz LIDOAZWNVWXITF-RYUDHWBXSA-N 2 2 279.388 0.434 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(c2cc[nH+]c(N(C)C)n2)[C@@H](C)C1 ZINC000359647027 356863812 /nfs/dbraw/zinc/86/38/12/356863812.db2.gz LIDOAZWNVWXITF-RYUDHWBXSA-N 2 2 279.388 0.434 20 0 CCADLP O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C[NH+]1CCCC1 ZINC000655698389 412647657 /nfs/dbraw/zinc/64/76/57/412647657.db2.gz AXQSYSUMIFABON-JKSUJKDBSA-N 3 2 297.443 0.286 20 0 CCADLP C[C@@H]1C[NH+](CCN(C)C(=O)Cn2cc[nH+]c2)C[C@@H](C)O1 ZINC000360489026 357024596 /nfs/dbraw/zinc/02/45/96/357024596.db2.gz LEAJYVGOJLQNCK-CHWSQXEVSA-N 2 2 280.372 0.451 20 0 CCADLP COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000362715539 357056217 /nfs/dbraw/zinc/05/62/17/357056217.db2.gz JBZNFRZDVMQKIM-IGQOVBAYSA-N 2 2 272.389 0.347 20 0 CCADLP COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000362715539 357056220 /nfs/dbraw/zinc/05/62/20/357056220.db2.gz JBZNFRZDVMQKIM-IGQOVBAYSA-N 2 2 272.389 0.347 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)Cn2cc[nH+]c2)CCO1 ZINC000360453158 357015739 /nfs/dbraw/zinc/01/57/39/357015739.db2.gz BQWVZSBUUGFGNS-LBPRGKRZSA-N 2 2 266.345 0.110 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)Cn2cc[nH+]c2)CCO1 ZINC000360453158 357015743 /nfs/dbraw/zinc/01/57/43/357015743.db2.gz BQWVZSBUUGFGNS-LBPRGKRZSA-N 2 2 266.345 0.110 20 0 CCADLP C[C@H](CNC(=O)C[C@H]1CCC[NH2+]CC1)[NH+]1CCN(C)CC1 ZINC000364220308 357099350 /nfs/dbraw/zinc/09/93/50/357099350.db2.gz LWUAESZEOFIHPQ-CABCVRRESA-N 2 2 296.459 0.518 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C[C@@H]3CCOC3)C2)CC1 ZINC000365468543 357153016 /nfs/dbraw/zinc/15/30/16/357153016.db2.gz ODHAGPKHEAQZSR-KBPBESRZSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C[C@@H]3CCOC3)C2)CC1 ZINC000365468543 357153020 /nfs/dbraw/zinc/15/30/20/357153020.db2.gz ODHAGPKHEAQZSR-KBPBESRZSA-N 2 2 295.427 0.698 20 0 CCADLP CNS(=O)(=O)[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000364618298 357126265 /nfs/dbraw/zinc/12/62/65/357126265.db2.gz XBXZGSQNFOVMCC-ZDUSSCGKSA-N 2 2 289.445 0.486 20 0 CCADLP CNS(=O)(=O)[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000364618298 357126269 /nfs/dbraw/zinc/12/62/69/357126269.db2.gz XBXZGSQNFOVMCC-ZDUSSCGKSA-N 2 2 289.445 0.486 20 0 CCADLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000366466916 357213483 /nfs/dbraw/zinc/21/34/83/357213483.db2.gz AHQWPVQURIOZDL-FICVDOATSA-N 2 2 282.347 0.879 20 0 CCADLP C[NH+](C)Cc1cnc(C[NH2+][C@]2(CO)CCOC2)s1 ZINC000352730944 219594014 /nfs/dbraw/zinc/59/40/14/219594014.db2.gz HMQGTTFWETXLJS-LBPRGKRZSA-N 2 2 271.386 0.446 20 0 CCADLP CC(C)N1CC[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1=O ZINC000655728986 412653077 /nfs/dbraw/zinc/65/30/77/412653077.db2.gz AYJSJUFYOVAXQJ-LSDHHAIUSA-N 2 2 295.427 0.839 20 0 CCADLP COC(C)(C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369274407 357343602 /nfs/dbraw/zinc/34/36/02/357343602.db2.gz OXVCTMBXDZFZNM-LBPRGKRZSA-N 2 2 283.416 0.696 20 0 CCADLP COC(C)(C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369274407 357343606 /nfs/dbraw/zinc/34/36/06/357343606.db2.gz OXVCTMBXDZFZNM-LBPRGKRZSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CCCC1 ZINC000655763329 412655431 /nfs/dbraw/zinc/65/54/31/412655431.db2.gz NJNXXNKXNJHSJT-DZGCQCFKSA-N 2 2 295.427 0.840 20 0 CCADLP O=C1NCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000377386627 357569710 /nfs/dbraw/zinc/56/97/10/357569710.db2.gz PJVKABIAEGZXNA-OAHLLOKOSA-N 2 2 288.395 0.914 20 0 CCADLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(-n2cc[nH+]c2)nc1 ZINC000377396183 357570364 /nfs/dbraw/zinc/57/03/64/357570364.db2.gz BPIUHMPDOMUZSY-PJXYFTJBSA-N 2 2 269.308 0.215 20 0 CCADLP C[NH+](C)CCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000377336513 357566362 /nfs/dbraw/zinc/56/63/62/357566362.db2.gz WMFZAKJILMVGFQ-GFCCVEGCSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CCCC1 ZINC000655763330 412657039 /nfs/dbraw/zinc/65/70/39/412657039.db2.gz NJNXXNKXNJHSJT-ZFWWWQNUSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)CC1 ZINC000377666867 357601968 /nfs/dbraw/zinc/60/19/68/357601968.db2.gz CKBZIEWSEMEQRA-ZFWWWQNUSA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)CC1 ZINC000377666867 357601971 /nfs/dbraw/zinc/60/19/71/357601971.db2.gz CKBZIEWSEMEQRA-ZFWWWQNUSA-N 2 2 295.427 0.650 20 0 CCADLP CC[C@H]([NH3+])C(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC000378200533 357658930 /nfs/dbraw/zinc/65/89/30/357658930.db2.gz GCODALFOGTXBEC-ZDUSSCGKSA-N 2 2 298.431 0.126 20 0 CCADLP CC[C@H]([NH3+])C(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC000378200533 357658936 /nfs/dbraw/zinc/65/89/36/357658936.db2.gz GCODALFOGTXBEC-ZDUSSCGKSA-N 2 2 298.431 0.126 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1CCO ZINC000382262285 357711877 /nfs/dbraw/zinc/71/18/77/357711877.db2.gz AHKBKRWLUYQEKE-KBPBESRZSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1CCO ZINC000382262285 357711881 /nfs/dbraw/zinc/71/18/81/357711881.db2.gz AHKBKRWLUYQEKE-KBPBESRZSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1CCO ZINC000382262285 357711882 /nfs/dbraw/zinc/71/18/82/357711882.db2.gz AHKBKRWLUYQEKE-KBPBESRZSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1CCO ZINC000382262285 357711886 /nfs/dbraw/zinc/71/18/86/357711886.db2.gz AHKBKRWLUYQEKE-KBPBESRZSA-N 2 2 274.405 0.162 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000384628671 357721486 /nfs/dbraw/zinc/72/14/86/357721486.db2.gz NUUZEWOTQWGOPI-MJBXVCDLSA-N 2 2 286.416 0.282 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000384628671 357721489 /nfs/dbraw/zinc/72/14/89/357721489.db2.gz NUUZEWOTQWGOPI-MJBXVCDLSA-N 2 2 286.416 0.282 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000384628671 357721490 /nfs/dbraw/zinc/72/14/90/357721490.db2.gz NUUZEWOTQWGOPI-MJBXVCDLSA-N 2 2 286.416 0.282 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000384628671 357721494 /nfs/dbraw/zinc/72/14/94/357721494.db2.gz NUUZEWOTQWGOPI-MJBXVCDLSA-N 2 2 286.416 0.282 20 0 CCADLP CON1CCC([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655776600 412658940 /nfs/dbraw/zinc/65/89/40/412658940.db2.gz JWHQYBFBHCQHAP-OAHLLOKOSA-N 2 2 283.416 0.855 20 0 CCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000449652760 236044171 /nfs/dbraw/zinc/04/41/71/236044171.db2.gz BMPARTJIWMORIZ-NTZNESFSSA-N 2 2 287.354 0.737 20 0 CCADLP C[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449384986 236031875 /nfs/dbraw/zinc/03/18/75/236031875.db2.gz DBRDKYGRRXACFR-KGLIPLIRSA-N 2 2 266.389 0.708 20 0 CCADLP C[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449384986 236031876 /nfs/dbraw/zinc/03/18/76/236031876.db2.gz DBRDKYGRRXACFR-KGLIPLIRSA-N 2 2 266.389 0.708 20 0 CCADLP Cc1cc(C[NH2+]C2(CCO)CC[NH+](C)CC2)nn1C ZINC000655788799 412660648 /nfs/dbraw/zinc/66/06/48/412660648.db2.gz PAGBWYLBYOPENH-UHFFFAOYSA-N 2 2 266.389 0.665 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CS1 ZINC000397757283 357772443 /nfs/dbraw/zinc/77/24/43/357772443.db2.gz GOJPVHKRDLIZBL-WDEREUQCSA-N 2 2 257.403 0.244 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(F)(F)[C@@H](CO)C1 ZINC000403948794 357811969 /nfs/dbraw/zinc/81/19/69/357811969.db2.gz DBTRFKREISITCG-MNOVXSKESA-N 2 2 266.332 0.249 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(F)(F)[C@@H](CO)C1 ZINC000403948794 357811972 /nfs/dbraw/zinc/81/19/72/357811972.db2.gz DBTRFKREISITCG-MNOVXSKESA-N 2 2 266.332 0.249 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000403948794 357811977 /nfs/dbraw/zinc/81/19/77/357811977.db2.gz DBTRFKREISITCG-MNOVXSKESA-N 2 2 266.332 0.249 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000403948794 357811981 /nfs/dbraw/zinc/81/19/81/357811981.db2.gz DBTRFKREISITCG-MNOVXSKESA-N 2 2 266.332 0.249 20 0 CCADLP Cc1nn(C)cc1C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000450600743 236099366 /nfs/dbraw/zinc/09/93/66/236099366.db2.gz OJZZMLCVYMIWNW-UHFFFAOYSA-N 2 2 274.372 0.784 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000294440948 199040387 /nfs/dbraw/zinc/04/03/87/199040387.db2.gz GVKVKOPLVIZUBB-GFCCVEGCSA-N 2 2 293.367 0.675 20 0 CCADLP Cc1cc(N2CCC(O)(C[NH+]3CCOCC3)CC2)nc[nH+]1 ZINC000408192863 357961745 /nfs/dbraw/zinc/96/17/45/357961745.db2.gz ALURKPYGDURIHU-UHFFFAOYSA-N 2 2 292.383 0.449 20 0 CCADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)N1CCOCC1 ZINC000408189155 357959353 /nfs/dbraw/zinc/95/93/53/357959353.db2.gz LVLHFSVEVVAFFT-UHFFFAOYSA-N 2 2 278.356 0.448 20 0 CCADLP Cc1[nH+]cc2n1C[C@H](C(=O)NCC[NH+]1CCOCC1)CC2 ZINC000561333635 291127773 /nfs/dbraw/zinc/12/77/73/291127773.db2.gz XTBGKBWLYMCRRQ-CYBMUJFWSA-N 2 2 292.383 0.202 20 0 CCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000333473878 291129116 /nfs/dbraw/zinc/12/91/16/291129116.db2.gz BEUFEZPVHJJLKE-IHRRRGAJSA-N 2 2 296.415 0.243 20 0 CCADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420303158 358179448 /nfs/dbraw/zinc/17/94/48/358179448.db2.gz HFVHHSMWVCQELL-HNNXBMFYSA-N 3 2 296.459 0.615 20 0 CCADLP CC[NH+](CC)CCC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000420303158 358179450 /nfs/dbraw/zinc/17/94/50/358179450.db2.gz HFVHHSMWVCQELL-HNNXBMFYSA-N 3 2 296.459 0.615 20 0 CCADLP C[NH2+]CCC[N@H+](C)CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000420384929 358181681 /nfs/dbraw/zinc/18/16/81/358181681.db2.gz FNSDOXFXMOCUHS-AWEZNQCLSA-N 2 2 291.395 0.648 20 0 CCADLP C[NH2+]CCC[N@@H+](C)CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000420384929 358181687 /nfs/dbraw/zinc/18/16/87/358181687.db2.gz FNSDOXFXMOCUHS-AWEZNQCLSA-N 2 2 291.395 0.648 20 0 CCADLP C[C@H](C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C)CS(C)(=O)=O ZINC000422636905 358191735 /nfs/dbraw/zinc/19/17/35/358191735.db2.gz NUDRZCPTBLDVBC-NDBYEHHHSA-N 2 2 276.446 0.972 20 0 CCADLP C[C@H](C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C)CS(C)(=O)=O ZINC000422636905 358191737 /nfs/dbraw/zinc/19/17/37/358191737.db2.gz NUDRZCPTBLDVBC-NDBYEHHHSA-N 2 2 276.446 0.972 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000423172133 358197129 /nfs/dbraw/zinc/19/71/29/358197129.db2.gz RLWDPKZZYHTQRG-HUUCEWRRSA-N 2 2 297.443 0.455 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NCC1([NH+]2CCOCC2)CCOCC1 ZINC000423172133 358197132 /nfs/dbraw/zinc/19/71/32/358197132.db2.gz RLWDPKZZYHTQRG-HUUCEWRRSA-N 2 2 297.443 0.455 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000516959572 358341156 /nfs/dbraw/zinc/34/11/56/358341156.db2.gz XYZLPFAUNGLNHD-KGLIPLIRSA-N 2 2 298.431 0.396 20 0 CCADLP Cc1nn(-c2cc[nH+]cc2)cc1CNC[C@H]1COCC[NH2+]1 ZINC000530181227 358372796 /nfs/dbraw/zinc/37/27/96/358372796.db2.gz ISWJATITTDMICT-AWEZNQCLSA-N 2 2 287.367 0.654 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1cnn2ccccc12)C1CC1 ZINC000567706876 358573974 /nfs/dbraw/zinc/57/39/74/358573974.db2.gz BJZGDNZNJVDHHJ-AWEZNQCLSA-N 2 2 274.368 0.879 20 0 CCADLP Cc1cccc(OC[C@H](O)C[NH2+]C[C@H](O)C[NH+](C)C)c1 ZINC000567734396 358579031 /nfs/dbraw/zinc/57/90/31/358579031.db2.gz GQMKKNSKENKDCU-UONOGXRCSA-N 2 2 282.384 0.247 20 0 CCADLP C[C@H](C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)[NH+]1CCN(C)CC1 ZINC000567902325 358610067 /nfs/dbraw/zinc/61/00/67/358610067.db2.gz RSZGSBOPSXERMD-MJBXVCDLSA-N 2 2 282.432 0.208 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000568181842 358643243 /nfs/dbraw/zinc/64/32/43/358643243.db2.gz AYKOGWHQFKIHEJ-RYUDHWBXSA-N 2 2 267.377 0.215 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000568181842 358643244 /nfs/dbraw/zinc/64/32/44/358643244.db2.gz AYKOGWHQFKIHEJ-RYUDHWBXSA-N 2 2 267.377 0.215 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000568181842 358643245 /nfs/dbraw/zinc/64/32/45/358643245.db2.gz AYKOGWHQFKIHEJ-RYUDHWBXSA-N 2 2 267.377 0.215 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000568181842 358643246 /nfs/dbraw/zinc/64/32/46/358643246.db2.gz AYKOGWHQFKIHEJ-RYUDHWBXSA-N 2 2 267.377 0.215 20 0 CCADLP CC[NH+]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000568011386 358625471 /nfs/dbraw/zinc/62/54/71/358625471.db2.gz MLULNZNMODBNIC-LBPRGKRZSA-N 2 2 250.346 0.998 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000567819396 358592332 /nfs/dbraw/zinc/59/23/32/358592332.db2.gz HZLVDWCLLAJFCS-GFCCVEGCSA-N 2 2 266.345 0.110 20 0 CCADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)[NH+]2CCOCC2)[C@H](C)C1 ZINC000568200995 358646388 /nfs/dbraw/zinc/64/63/88/358646388.db2.gz FADSMCMCNPTWBR-QLFBSQMISA-N 2 2 297.443 0.896 20 0 CCADLP CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)[NH+]2CCOCC2)[C@H](C)C1 ZINC000568200995 358646390 /nfs/dbraw/zinc/64/63/90/358646390.db2.gz FADSMCMCNPTWBR-QLFBSQMISA-N 2 2 297.443 0.896 20 0 CCADLP COc1c(N)[nH+]cnc1NCCC[NH+]1CCCCC1 ZINC000568243712 358656285 /nfs/dbraw/zinc/65/62/85/358656285.db2.gz LIYJNAGOPVGYDI-UHFFFAOYSA-N 2 2 265.361 0.777 20 0 CCADLP COc1c(N)nc[nH+]c1NCCC[NH+]1CCCCC1 ZINC000568243712 358656288 /nfs/dbraw/zinc/65/62/88/358656288.db2.gz LIYJNAGOPVGYDI-UHFFFAOYSA-N 2 2 265.361 0.777 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC=C(c2ccnn2C)CC1 ZINC000569256387 358748998 /nfs/dbraw/zinc/74/89/98/358748998.db2.gz NHEPLRHAADYFRQ-CQSZACIVSA-N 2 2 278.400 0.822 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC=C(c2ccnn2C)CC1 ZINC000569256387 358749000 /nfs/dbraw/zinc/74/90/00/358749000.db2.gz NHEPLRHAADYFRQ-CQSZACIVSA-N 2 2 278.400 0.822 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000569256387 358749003 /nfs/dbraw/zinc/74/90/03/358749003.db2.gz NHEPLRHAADYFRQ-CQSZACIVSA-N 2 2 278.400 0.822 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000569256387 358749004 /nfs/dbraw/zinc/74/90/04/358749004.db2.gz NHEPLRHAADYFRQ-CQSZACIVSA-N 2 2 278.400 0.822 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000569464864 358765677 /nfs/dbraw/zinc/76/56/77/358765677.db2.gz VSGDXNHYVKWITN-AAEUAGOBSA-N 2 2 272.352 0.734 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000569464864 358765681 /nfs/dbraw/zinc/76/56/81/358765681.db2.gz VSGDXNHYVKWITN-AAEUAGOBSA-N 2 2 272.352 0.734 20 0 CCADLP CC(C)C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000568814739 358707138 /nfs/dbraw/zinc/70/71/38/358707138.db2.gz MAYOBXZZVALPMI-CQSZACIVSA-N 2 2 294.399 0.746 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000568873212 358712634 /nfs/dbraw/zinc/71/26/34/358712634.db2.gz NRVHVOGERVWSER-YUELXQCFSA-N 3 2 269.433 0.904 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000568873212 358712637 /nfs/dbraw/zinc/71/26/37/358712637.db2.gz NRVHVOGERVWSER-YUELXQCFSA-N 3 2 269.433 0.904 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccncn2)CC1 ZINC000570056579 358818480 /nfs/dbraw/zinc/81/84/80/358818480.db2.gz IXOCVBOBFASXEP-CQSZACIVSA-N 2 2 278.400 0.969 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccncn2)CC1 ZINC000570056579 358818483 /nfs/dbraw/zinc/81/84/83/358818483.db2.gz IXOCVBOBFASXEP-CQSZACIVSA-N 2 2 278.400 0.969 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cn2cc3ccccc3n2)[C@@H](C[NH3+])C1 ZINC000570093421 358822691 /nfs/dbraw/zinc/82/26/91/358822691.db2.gz REORKNNWENVTPM-ZDUSSCGKSA-N 2 2 287.367 0.138 20 0 CCADLP C[N@H+]1CCN(C(=O)Cn2cc3ccccc3n2)[C@@H](C[NH3+])C1 ZINC000570093421 358822695 /nfs/dbraw/zinc/82/26/95/358822695.db2.gz REORKNNWENVTPM-ZDUSSCGKSA-N 2 2 287.367 0.138 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000423860777 283394665 /nfs/dbraw/zinc/39/46/65/283394665.db2.gz AYRRBYLUDMQBBI-ZFWWWQNUSA-N 2 2 297.443 0.944 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000423860777 283394666 /nfs/dbraw/zinc/39/46/66/283394666.db2.gz AYRRBYLUDMQBBI-ZFWWWQNUSA-N 2 2 297.443 0.944 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CCN2CCO[C@H](C)C2)n1C ZINC000570106906 358824881 /nfs/dbraw/zinc/82/48/81/358824881.db2.gz IMXCIGJMAQWFRT-LLVKDONJSA-N 2 2 252.362 0.539 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)CC[C@H]1CCNC1=O ZINC000569775233 358791571 /nfs/dbraw/zinc/79/15/71/358791571.db2.gz IVFDQPOLWOJOLB-GFCCVEGCSA-N 2 2 250.346 0.731 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)CC[C@H]1CCNC1=O ZINC000569775233 358791574 /nfs/dbraw/zinc/79/15/74/358791574.db2.gz IVFDQPOLWOJOLB-GFCCVEGCSA-N 2 2 250.346 0.731 20 0 CCADLP CCc1noc(C)c1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000570106236 358825186 /nfs/dbraw/zinc/82/51/86/358825186.db2.gz AIPJHOKBAXWMAB-ZYHUDNBSSA-N 2 2 278.356 0.289 20 0 CCADLP CCc1noc(C)c1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000570106236 358825190 /nfs/dbraw/zinc/82/51/90/358825190.db2.gz AIPJHOKBAXWMAB-ZYHUDNBSSA-N 2 2 278.356 0.289 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCCC[NH+]1CCOCC1 ZINC000562651159 291161797 /nfs/dbraw/zinc/16/17/97/291161797.db2.gz JLBAKLWCTPRDHB-CQSZACIVSA-N 2 2 298.431 0.444 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCCC[NH+]1CCOCC1 ZINC000562651159 291161800 /nfs/dbraw/zinc/16/18/00/291161800.db2.gz JLBAKLWCTPRDHB-CQSZACIVSA-N 2 2 298.431 0.444 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000569849595 358800176 /nfs/dbraw/zinc/80/01/76/358800176.db2.gz AXJDXSQIMAUFQL-VXGBXAGGSA-N 2 2 257.378 0.211 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000569849595 358800180 /nfs/dbraw/zinc/80/01/80/358800180.db2.gz AXJDXSQIMAUFQL-VXGBXAGGSA-N 2 2 257.378 0.211 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000570632193 358876577 /nfs/dbraw/zinc/87/65/77/358876577.db2.gz FGDYHQJRHVLLOS-VXGBXAGGSA-N 2 2 280.434 0.102 20 0 CCADLP Cc1c[nH+]c(C)nc1NCC[N@@H+]1CCCOCC1 ZINC000573373106 358961661 /nfs/dbraw/zinc/96/16/61/358961661.db2.gz MUSACYUTOZXWFW-UHFFFAOYSA-N 2 2 250.346 0.650 20 0 CCADLP Cc1c[nH+]c(C)nc1NCC[N@H+]1CCCOCC1 ZINC000573373106 358961663 /nfs/dbraw/zinc/96/16/63/358961663.db2.gz MUSACYUTOZXWFW-UHFFFAOYSA-N 2 2 250.346 0.650 20 0 CCADLP CC(C)C[C@@H]1C[C@H]1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000572825428 358929734 /nfs/dbraw/zinc/92/97/34/358929734.db2.gz IENWPUUDIDNZSE-JHJVBQTASA-N 2 2 268.405 0.705 20 0 CCADLP CC(C)C[C@@H]1C[C@H]1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000572825428 358929739 /nfs/dbraw/zinc/92/97/39/358929739.db2.gz IENWPUUDIDNZSE-JHJVBQTASA-N 2 2 268.405 0.705 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000573340445 358959318 /nfs/dbraw/zinc/95/93/18/358959318.db2.gz XZZYRISAGYFOFO-ZDUSSCGKSA-N 3 2 297.447 0.016 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000573340445 358959321 /nfs/dbraw/zinc/95/93/21/358959321.db2.gz XZZYRISAGYFOFO-ZDUSSCGKSA-N 3 2 297.447 0.016 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCC(F)(F)F)C[C@H](C)O1 ZINC000574151448 359032682 /nfs/dbraw/zinc/03/26/82/359032682.db2.gz MWYRLNOBHIQBFK-AXFHLTTASA-N 2 2 284.322 0.999 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCC(F)(F)F)C[C@H](C)O1 ZINC000574151448 359032688 /nfs/dbraw/zinc/03/26/88/359032688.db2.gz MWYRLNOBHIQBFK-AXFHLTTASA-N 2 2 284.322 0.999 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000573754815 358996725 /nfs/dbraw/zinc/99/67/25/358996725.db2.gz FFCWUKVSETUNKA-ZIAGYGMSSA-N 2 2 283.416 0.507 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000573754815 358996729 /nfs/dbraw/zinc/99/67/29/358996729.db2.gz FFCWUKVSETUNKA-ZIAGYGMSSA-N 2 2 283.416 0.507 20 0 CCADLP NC(=O)NC(=O)CC[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000573834336 359004842 /nfs/dbraw/zinc/00/48/42/359004842.db2.gz ZBMFOHQTDJHZLN-SNVBAGLBSA-N 2 2 268.361 0.178 20 0 CCADLP NC(=O)NC(=O)CC[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000573834336 359004848 /nfs/dbraw/zinc/00/48/48/359004848.db2.gz ZBMFOHQTDJHZLN-SNVBAGLBSA-N 2 2 268.361 0.178 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@@H](CO)C2CC2)C[C@H](C)O1 ZINC000573967363 359016750 /nfs/dbraw/zinc/01/67/50/359016750.db2.gz VGEFQLHJSHOQDE-MYZSUADSSA-N 2 2 286.416 0.065 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@@H](CO)C2CC2)C[C@H](C)O1 ZINC000573967363 359016753 /nfs/dbraw/zinc/01/67/53/359016753.db2.gz VGEFQLHJSHOQDE-MYZSUADSSA-N 2 2 286.416 0.065 20 0 CCADLP O[C@@H]1CCC[C@H](C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000580781150 359094287 /nfs/dbraw/zinc/09/42/87/359094287.db2.gz VZZDRCBXXBOSPD-ZGKBOVNRSA-N 2 2 268.401 0.894 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](CO)c1sccc1C ZINC000579849164 359054614 /nfs/dbraw/zinc/05/46/14/359054614.db2.gz MGJRGGLCJNHAJM-NEPJUHHUSA-N 2 2 272.414 0.992 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](CO)c1sccc1C ZINC000579849164 359054620 /nfs/dbraw/zinc/05/46/20/359054620.db2.gz MGJRGGLCJNHAJM-NEPJUHHUSA-N 2 2 272.414 0.992 20 0 CCADLP CO[C@@H]1C[C@H](NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1(C)C ZINC000582350167 359135886 /nfs/dbraw/zinc/13/58/86/359135886.db2.gz SOAMXQVLKUHUBL-GRYCIOLGSA-N 2 2 284.404 0.084 20 0 CCADLP CO[C@@H]1C[C@H](NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1(C)C ZINC000582350167 359135888 /nfs/dbraw/zinc/13/58/88/359135888.db2.gz SOAMXQVLKUHUBL-GRYCIOLGSA-N 2 2 284.404 0.084 20 0 CCADLP CC(C)[NH2+][C@H]1CCCN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000589742646 359400572 /nfs/dbraw/zinc/40/05/72/359400572.db2.gz UXEYNIVJNHTVIA-AWEZNQCLSA-N 2 2 298.431 0.491 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]CCC(=O)Nc1ccccc1 ZINC000562993863 291179219 /nfs/dbraw/zinc/17/92/19/291179219.db2.gz QAPCIVBKKINOGS-OAHLLOKOSA-N 2 2 290.411 0.851 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]CCC(=O)Nc1ccccc1 ZINC000562993863 291179221 /nfs/dbraw/zinc/17/92/21/291179221.db2.gz QAPCIVBKKINOGS-OAHLLOKOSA-N 2 2 290.411 0.851 20 0 CCADLP C[NH+](C)C/C=C\C(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000492045949 237058283 /nfs/dbraw/zinc/05/82/83/237058283.db2.gz JSCGNIGFYVPXIN-AGLBCWCQSA-N 2 2 262.357 0.992 20 0 CCADLP CC[C@](C)(C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1)OC ZINC000562999122 291180131 /nfs/dbraw/zinc/18/01/31/291180131.db2.gz XKNVXTASEXDXSQ-LJISPDSOSA-N 2 2 288.432 0.861 20 0 CCADLP CC[C@](C)(C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)OC ZINC000562999122 291180134 /nfs/dbraw/zinc/18/01/34/291180134.db2.gz XKNVXTASEXDXSQ-LJISPDSOSA-N 2 2 288.432 0.861 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000591458137 359596111 /nfs/dbraw/zinc/59/61/11/359596111.db2.gz YJZLYCGJOUVCED-OLZOCXBDSA-N 2 2 262.357 0.998 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000591458137 359596114 /nfs/dbraw/zinc/59/61/14/359596114.db2.gz YJZLYCGJOUVCED-OLZOCXBDSA-N 2 2 262.357 0.998 20 0 CCADLP CCOC(=O)CC[C@H](O)C[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000591735108 359649965 /nfs/dbraw/zinc/64/99/65/359649965.db2.gz SEMZSSLWGIMZIK-KBPBESRZSA-N 2 2 284.400 0.765 20 0 CCADLP CCOC(=O)CC[C@H](O)C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000591735108 359649968 /nfs/dbraw/zinc/64/99/68/359649968.db2.gz SEMZSSLWGIMZIK-KBPBESRZSA-N 2 2 284.400 0.765 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc([S@](C)=O)cc1)C1CC1 ZINC000591750171 359652160 /nfs/dbraw/zinc/65/21/60/359652160.db2.gz WJVFGKWYNUJPMU-XOBRGWDASA-N 2 2 296.436 0.969 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc([S@](C)=O)cc1)C1CC1 ZINC000591750171 359652166 /nfs/dbraw/zinc/65/21/66/359652166.db2.gz WJVFGKWYNUJPMU-XOBRGWDASA-N 2 2 296.436 0.969 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc([S@](C)=O)cc1)C1CC1 ZINC000591750170 359652725 /nfs/dbraw/zinc/65/27/25/359652725.db2.gz WJVFGKWYNUJPMU-VLIAUNLRSA-N 2 2 296.436 0.969 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc([S@](C)=O)cc1)C1CC1 ZINC000591750170 359652727 /nfs/dbraw/zinc/65/27/27/359652727.db2.gz WJVFGKWYNUJPMU-VLIAUNLRSA-N 2 2 296.436 0.969 20 0 CCADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000377530994 291191903 /nfs/dbraw/zinc/19/19/03/291191903.db2.gz SBJCLGSKTDOZQC-CHWSQXEVSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000377530994 291191904 /nfs/dbraw/zinc/19/19/04/291191904.db2.gz SBJCLGSKTDOZQC-CHWSQXEVSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@H](CNC(=O)C=Cc1c[nH]c[nH+]1)C[NH+]1CCN(C)CC1 ZINC000492862378 237324153 /nfs/dbraw/zinc/32/41/53/237324153.db2.gz KQKAMMJVWBYNPN-DHCBQETCSA-N 2 2 291.399 0.423 20 0 CCADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C=Cc1c[nH]c[nH+]1 ZINC000492808713 237302660 /nfs/dbraw/zinc/30/26/60/237302660.db2.gz DIUPZVLVPRJDCQ-GXMNPTEKSA-N 2 2 292.383 0.992 20 0 CCADLP CN(C(=O)C=Cc1c[nH]c[nH+]1)C(C)(C)C[NH+]1CCOCC1 ZINC000493018294 237364833 /nfs/dbraw/zinc/36/48/33/237364833.db2.gz JCFOAKKFNQAUCK-SNAWJCMRSA-N 2 2 292.383 0.992 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[NH2+]C[C@H]2c2nccn2C)CCO1 ZINC000563150048 291199589 /nfs/dbraw/zinc/19/95/89/291199589.db2.gz WWSHVFFXXUXHBY-KGLIPLIRSA-N 2 2 293.415 0.087 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[NH2+]C[C@H]2c2nccn2C)CCO1 ZINC000563150048 291199591 /nfs/dbraw/zinc/19/95/91/291199591.db2.gz WWSHVFFXXUXHBY-KGLIPLIRSA-N 2 2 293.415 0.087 20 0 CCADLP CCn1cc[nH+]c1CN1CCC[NH2+]C[C@H]1C(=O)OC ZINC000592434877 359840508 /nfs/dbraw/zinc/84/05/08/359840508.db2.gz PVNYUQDGGOYVNN-NSHDSACASA-N 2 2 266.345 0.240 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[NH+]1CCC(C)([NH3+])CC1 ZINC000592484580 359853704 /nfs/dbraw/zinc/85/37/04/359853704.db2.gz FELZANKDBKAOMH-UHFFFAOYSA-N 2 2 270.377 0.424 20 0 CCADLP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)CC[C@H]1[NH3+] ZINC000592488268 359855297 /nfs/dbraw/zinc/85/52/97/359855297.db2.gz IWVPCYBKKQBJDL-QJPTWQEYSA-N 2 2 284.404 0.668 20 0 CCADLP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)CC[C@H]1[NH3+] ZINC000592488268 359855304 /nfs/dbraw/zinc/85/53/04/359855304.db2.gz IWVPCYBKKQBJDL-QJPTWQEYSA-N 2 2 284.404 0.668 20 0 CCADLP COC(=O)[C@@H](COC(C)C)[N@H+](C)CCn1cc[nH+]c1 ZINC000611225153 363687671 /nfs/dbraw/zinc/68/76/71/363687671.db2.gz KWODINAYHHPSCV-GFCCVEGCSA-N 2 2 269.345 0.782 20 0 CCADLP COC(=O)[C@@H](COC(C)C)[N@@H+](C)CCn1cc[nH+]c1 ZINC000611225153 363687677 /nfs/dbraw/zinc/68/76/77/363687677.db2.gz KWODINAYHHPSCV-GFCCVEGCSA-N 2 2 269.345 0.782 20 0 CCADLP Cc1cccn2cc(CC(=O)N3CCO[C@@H](C[NH3+])C3)[nH+]c12 ZINC000563211187 291206144 /nfs/dbraw/zinc/20/61/44/291206144.db2.gz OIDXKZCRVPKZRL-ZDUSSCGKSA-N 2 2 288.351 0.371 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000620977480 366612246 /nfs/dbraw/zinc/61/22/46/366612246.db2.gz XXVUTHSFMYGNAJ-ZDUSSCGKSA-N 2 2 294.399 0.830 20 0 CCADLP C[C@H]1OCC[C@@H]1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000356015706 291211652 /nfs/dbraw/zinc/21/16/52/291211652.db2.gz QYPCNSJCFOJKGO-HIFRSBDPSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@H]1OCC[C@@H]1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000356015706 291211655 /nfs/dbraw/zinc/21/16/55/291211655.db2.gz QYPCNSJCFOJKGO-HIFRSBDPSA-N 2 2 297.443 0.896 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC[NH2+]1 ZINC000621159701 366662947 /nfs/dbraw/zinc/66/29/47/366662947.db2.gz QDRLYKDPKUIOGZ-BXUZGUMPSA-N 2 2 276.384 0.971 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC[NH2+]1 ZINC000621159701 366662953 /nfs/dbraw/zinc/66/29/53/366662953.db2.gz QDRLYKDPKUIOGZ-BXUZGUMPSA-N 2 2 276.384 0.971 20 0 CCADLP CCO[C@@H]1C[N@H+](Cc2c[nH]c(C(=O)OC)c2)C[C@H]1C[NH3+] ZINC000593314935 360065038 /nfs/dbraw/zinc/06/50/38/360065038.db2.gz HYDOWZYUXNLOEZ-DGCLKSJQSA-N 2 2 281.356 0.597 20 0 CCADLP CCO[C@@H]1C[N@@H+](Cc2c[nH]c(C(=O)OC)c2)C[C@H]1C[NH3+] ZINC000593314935 360065043 /nfs/dbraw/zinc/06/50/43/360065043.db2.gz HYDOWZYUXNLOEZ-DGCLKSJQSA-N 2 2 281.356 0.597 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@@H]2COCCO2)C1 ZINC000563351301 291215970 /nfs/dbraw/zinc/21/59/70/291215970.db2.gz YMSMQDPFKUJLCD-VXGBXAGGSA-N 2 2 251.330 0.625 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@@H]2COCCO2)C1 ZINC000563351301 291215971 /nfs/dbraw/zinc/21/59/71/291215971.db2.gz YMSMQDPFKUJLCD-VXGBXAGGSA-N 2 2 251.330 0.625 20 0 CCADLP COC(=O)c1ccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000593902861 360201608 /nfs/dbraw/zinc/20/16/08/360201608.db2.gz GJNXXOMXZOWARI-ZDUSSCGKSA-N 2 2 293.367 0.368 20 0 CCADLP COC(=O)c1cccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000593902037 360201638 /nfs/dbraw/zinc/20/16/38/360201638.db2.gz MRGUDQBIJLBXEN-GFCCVEGCSA-N 2 2 279.340 0.691 20 0 CCADLP COC(=O)[C@@H](C)CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1CC1 ZINC000593907476 360204709 /nfs/dbraw/zinc/20/47/09/360204709.db2.gz PRJQBCPOFYBSJU-CMPLNLGQSA-N 2 2 285.388 0.066 20 0 CCADLP COC(=O)CN1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000593976683 360226701 /nfs/dbraw/zinc/22/67/01/360226701.db2.gz XAVIEYDGDDREQH-UHFFFAOYSA-N 2 2 280.372 0.143 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc[nH]2)CC1 ZINC000177131812 189031255 /nfs/dbraw/zinc/03/12/55/189031255.db2.gz GSICREIOXHUDQS-UHFFFAOYSA-N 2 2 264.373 0.771 20 0 CCADLP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000563388883 291221547 /nfs/dbraw/zinc/22/15/47/291221547.db2.gz MSNQHKRQHBENLG-CYBMUJFWSA-N 2 2 297.443 0.632 20 0 CCADLP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000563388883 291221548 /nfs/dbraw/zinc/22/15/48/291221548.db2.gz MSNQHKRQHBENLG-CYBMUJFWSA-N 2 2 297.443 0.632 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)NC(=O)Cc1c[nH+]cn1C ZINC000563392438 291222217 /nfs/dbraw/zinc/22/22/17/291222217.db2.gz LDGZIAYQNGUOPG-GFCCVEGCSA-N 2 2 282.388 0.172 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000563391314 291222285 /nfs/dbraw/zinc/22/22/85/291222285.db2.gz ONNDMIVAFHMULO-RYUDHWBXSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000563391314 291222286 /nfs/dbraw/zinc/22/22/86/291222286.db2.gz ONNDMIVAFHMULO-RYUDHWBXSA-N 2 2 280.372 0.113 20 0 CCADLP Cc1nc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c(C)c(C)[nH+]1 ZINC000594702755 360362452 /nfs/dbraw/zinc/36/24/52/360362452.db2.gz WRBZWHIXLPSFAW-RYUDHWBXSA-N 2 2 275.356 0.150 20 0 CCADLP CC(C)[N@H+](C)CC[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000595145332 360444357 /nfs/dbraw/zinc/44/43/57/360444357.db2.gz IBEZJMLGXMGUQA-LBPRGKRZSA-N 2 2 251.378 0.855 20 0 CCADLP CC(C)[N@@H+](C)CC[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000595145332 360444358 /nfs/dbraw/zinc/44/43/58/360444358.db2.gz IBEZJMLGXMGUQA-LBPRGKRZSA-N 2 2 251.378 0.855 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000595148520 360445357 /nfs/dbraw/zinc/44/53/57/360445357.db2.gz YBXLUXPXSVIQTD-KGLIPLIRSA-N 2 2 293.415 0.625 20 0 CCADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000595148520 360445366 /nfs/dbraw/zinc/44/53/66/360445366.db2.gz YBXLUXPXSVIQTD-KGLIPLIRSA-N 2 2 293.415 0.625 20 0 CCADLP C[S@](=O)C1(C[NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000594937585 360421583 /nfs/dbraw/zinc/42/15/83/360421583.db2.gz RBGYJBUBFDITCH-KRWDZBQOSA-N 2 2 253.371 0.830 20 0 CCADLP CN(C)c1ccccc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000563429556 291228468 /nfs/dbraw/zinc/22/84/68/291228468.db2.gz KKUYNUVRLRPHDA-LBPRGKRZSA-N 2 2 291.399 0.859 20 0 CCADLP CN(C)c1ccccc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000563429556 291228469 /nfs/dbraw/zinc/22/84/69/291228469.db2.gz KKUYNUVRLRPHDA-LBPRGKRZSA-N 2 2 291.399 0.859 20 0 CCADLP COC(=O)c1cc(C[NH2+]C2(CO)CC[NH2+]CC2)cs1 ZINC000595896923 360694718 /nfs/dbraw/zinc/69/47/18/360694718.db2.gz MZEGTPALVMSQFS-UHFFFAOYSA-N 2 2 284.381 0.739 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+]C[C@@H](C)[N@H+](C)C2CC2)no1 ZINC000563528757 291235064 /nfs/dbraw/zinc/23/50/64/291235064.db2.gz DYLIAPKZMSZRHV-SNVBAGLBSA-N 2 2 280.372 0.806 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+]C[C@@H](C)[N@@H+](C)C2CC2)no1 ZINC000563528757 291235065 /nfs/dbraw/zinc/23/50/65/291235065.db2.gz DYLIAPKZMSZRHV-SNVBAGLBSA-N 2 2 280.372 0.806 20 0 CCADLP C[C@@H]([NH3+])CCNC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000178687142 189137662 /nfs/dbraw/zinc/13/76/62/189137662.db2.gz JOYMFCWBBVMQNM-SNVBAGLBSA-N 2 2 259.313 0.734 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000597155079 361017056 /nfs/dbraw/zinc/01/70/56/361017056.db2.gz DTHLEYBWTXFNBG-ZYHUDNBSSA-N 2 2 267.329 0.084 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000597155079 361017060 /nfs/dbraw/zinc/01/70/60/361017060.db2.gz DTHLEYBWTXFNBG-ZYHUDNBSSA-N 2 2 267.329 0.084 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]CCC(=O)Nc1cccnc1 ZINC000563952579 291260018 /nfs/dbraw/zinc/26/00/18/291260018.db2.gz LQGDUXGUNRKBJL-CQSZACIVSA-N 2 2 291.399 0.246 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]CCC(=O)Nc1cccnc1 ZINC000563952579 291260019 /nfs/dbraw/zinc/26/00/19/291260019.db2.gz LQGDUXGUNRKBJL-CQSZACIVSA-N 2 2 291.399 0.246 20 0 CCADLP CCCn1nccc1NC(=O)C[N@H+](C)CCC[NH3+] ZINC000631822146 370687343 /nfs/dbraw/zinc/68/73/43/370687343.db2.gz UOGYIGYAXMIWAS-UHFFFAOYSA-N 2 2 253.350 0.512 20 0 CCADLP CCCn1nccc1NC(=O)C[N@@H+](C)CCC[NH3+] ZINC000631822146 370687348 /nfs/dbraw/zinc/68/73/48/370687348.db2.gz UOGYIGYAXMIWAS-UHFFFAOYSA-N 2 2 253.350 0.512 20 0 CCADLP C[C@@H](NC(=O)C1([NH3+])CCCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000237491408 296039998 /nfs/dbraw/zinc/03/99/98/296039998.db2.gz VFIKGNNGXGOWHE-VXGBXAGGSA-N 2 2 269.389 0.483 20 0 CCADLP Cc1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ccn1 ZINC000598680374 361479524 /nfs/dbraw/zinc/47/95/24/361479524.db2.gz ADVKAHRYWCHLBG-QWHCGFSZSA-N 2 2 260.341 0.134 20 0 CCADLP Cc1cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ccn1 ZINC000598680374 361479529 /nfs/dbraw/zinc/47/95/29/361479529.db2.gz ADVKAHRYWCHLBG-QWHCGFSZSA-N 2 2 260.341 0.134 20 0 CCADLP COC(=O)C1CCC([NH2+]CC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000599085682 361568104 /nfs/dbraw/zinc/56/81/04/361568104.db2.gz VCVGRJZOSTYQOW-WXRRBKDZSA-N 2 2 270.373 0.374 20 0 CCADLP COC(=O)C1CCC([NH2+]CC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000599085682 361568106 /nfs/dbraw/zinc/56/81/06/361568106.db2.gz VCVGRJZOSTYQOW-WXRRBKDZSA-N 2 2 270.373 0.374 20 0 CCADLP CCO[C@@H]1C[N@@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1C[NH3+] ZINC000631829311 370696183 /nfs/dbraw/zinc/69/61/83/370696183.db2.gz NCVIRFUUQFAKHI-MRVWCRGKSA-N 2 2 281.400 0.435 20 0 CCADLP CCO[C@@H]1C[N@H+]([C@@H]2CCN(C3CCC3)C2=O)C[C@H]1C[NH3+] ZINC000631829311 370696188 /nfs/dbraw/zinc/69/61/88/370696188.db2.gz NCVIRFUUQFAKHI-MRVWCRGKSA-N 2 2 281.400 0.435 20 0 CCADLP C[C@H]1CN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)CC[NH2+]1 ZINC000564549166 291284032 /nfs/dbraw/zinc/28/40/32/291284032.db2.gz XKENIBCPBNTWBP-JTQLQIEISA-N 2 2 287.323 0.093 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000599393693 361684164 /nfs/dbraw/zinc/68/41/64/361684164.db2.gz QHKTXCXOTISNQF-GXTWGEPZSA-N 2 2 294.351 0.849 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000599393693 361684171 /nfs/dbraw/zinc/68/41/71/361684171.db2.gz QHKTXCXOTISNQF-GXTWGEPZSA-N 2 2 294.351 0.849 20 0 CCADLP C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H]1C[N@H+](C)CCO1 ZINC000612669348 363984600 /nfs/dbraw/zinc/98/46/00/363984600.db2.gz GEJWRAYRAGKULI-FMCLSXCISA-N 2 2 292.383 0.359 20 0 CCADLP C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H]1C[N@@H+](C)CCO1 ZINC000612669348 363984605 /nfs/dbraw/zinc/98/46/05/363984605.db2.gz GEJWRAYRAGKULI-FMCLSXCISA-N 2 2 292.383 0.359 20 0 CCADLP C[C@@]1(NC(=O)NCc2ccn3cc[nH+]c3c2)CC[NH2+]C1 ZINC000612892419 364035251 /nfs/dbraw/zinc/03/52/51/364035251.db2.gz RJQNSEVOSLIXML-CQSZACIVSA-N 2 2 273.340 0.886 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)N[C@@H]1CC13CC[NH2+]CC3)CC2 ZINC000612978702 364065737 /nfs/dbraw/zinc/06/57/37/364065737.db2.gz AJOAXKPFNKDBRE-GFCCVEGCSA-N 2 2 289.383 0.859 20 0 CCADLP C[C@H](CC(=O)NCCC[N@H+](C)CCN(C)C)n1cc[nH+]c1 ZINC000564804776 291302006 /nfs/dbraw/zinc/30/20/06/291302006.db2.gz UCJAKFLAHPQWLV-CQSZACIVSA-N 2 2 295.431 0.834 20 0 CCADLP C[C@H](CC(=O)NCCC[N@@H+](C)CCN(C)C)n1cc[nH+]c1 ZINC000564804776 291302008 /nfs/dbraw/zinc/30/20/08/291302008.db2.gz UCJAKFLAHPQWLV-CQSZACIVSA-N 2 2 295.431 0.834 20 0 CCADLP C[C@H](CC(=O)NCCCN(C)CC[NH+](C)C)n1cc[nH+]c1 ZINC000564804776 291302010 /nfs/dbraw/zinc/30/20/10/291302010.db2.gz UCJAKFLAHPQWLV-CQSZACIVSA-N 2 2 295.431 0.834 20 0 CCADLP Cc1cc(NC(=O)CC[N@H+]2C[C@H]([NH3+])C[C@@H]2C)no1 ZINC000631858767 370721095 /nfs/dbraw/zinc/72/10/95/370721095.db2.gz DJCUQXUNLKWKAA-WCBMZHEXSA-N 2 2 252.318 0.155 20 0 CCADLP Cc1cc(NC(=O)CC[N@@H+]2C[C@H]([NH3+])C[C@@H]2C)no1 ZINC000631858767 370721098 /nfs/dbraw/zinc/72/10/98/370721098.db2.gz DJCUQXUNLKWKAA-WCBMZHEXSA-N 2 2 252.318 0.155 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H](O)COc1ccccc1 ZINC000564824424 291303156 /nfs/dbraw/zinc/30/31/56/291303156.db2.gz ADXCVLOYWRSHSQ-QLFBSQMISA-N 2 2 294.395 0.783 20 0 CCADLP C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC([NH2+]CCO)CC1 ZINC000631866803 370725911 /nfs/dbraw/zinc/72/59/11/370725911.db2.gz ZFAVPFNXWBKUDR-OKILXGFUSA-N 2 2 297.443 0.822 20 0 CCADLP C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCC([NH2+]CCO)CC1 ZINC000631866804 370726424 /nfs/dbraw/zinc/72/64/24/370726424.db2.gz ZFAVPFNXWBKUDR-ZIAGYGMSSA-N 2 2 297.443 0.822 20 0 CCADLP CCCCOCCNC(=O)C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631868828 370728428 /nfs/dbraw/zinc/72/84/28/370728428.db2.gz PYOKWNQESOYDNC-HIFRSBDPSA-N 2 2 283.416 0.651 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631888366 370737890 /nfs/dbraw/zinc/73/78/90/370737890.db2.gz VLNLMVBXIRDONS-GJZGRUSLSA-N 2 2 297.443 0.993 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631888366 370737896 /nfs/dbraw/zinc/73/78/96/370737896.db2.gz VLNLMVBXIRDONS-GJZGRUSLSA-N 2 2 297.443 0.993 20 0 CCADLP CCOC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000613855631 364411522 /nfs/dbraw/zinc/41/15/22/364411522.db2.gz UYZHIEYATVFAJH-JSGCOSHPSA-N 2 2 281.356 0.834 20 0 CCADLP CCOC(=O)[C@@](C)(O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000613855631 364411527 /nfs/dbraw/zinc/41/15/27/364411527.db2.gz UYZHIEYATVFAJH-JSGCOSHPSA-N 2 2 281.356 0.834 20 0 CCADLP C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCn3c[nH+]cc3C1)C2 ZINC000614038316 364470861 /nfs/dbraw/zinc/47/08/61/364470861.db2.gz OLRCCDLSHWKSNQ-GFCCVEGCSA-N 2 2 274.368 0.610 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000614092197 364501770 /nfs/dbraw/zinc/50/17/70/364501770.db2.gz IJTNKRQUGVINOP-CHWSQXEVSA-N 2 2 280.347 0.607 20 0 CCADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621779964 366864688 /nfs/dbraw/zinc/86/46/88/366864688.db2.gz LKIITQGEYGHZKN-SGMGOOAPSA-N 2 2 253.390 0.960 20 0 CCADLP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621779964 366864692 /nfs/dbraw/zinc/86/46/92/366864692.db2.gz LKIITQGEYGHZKN-SGMGOOAPSA-N 2 2 253.390 0.960 20 0 CCADLP [NH3+][C@]12CCC[C@H]1C[N@H+](C[C@@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000621784205 366866455 /nfs/dbraw/zinc/86/64/55/366866455.db2.gz LIPINOUQVDRMCE-OBJOEFQTSA-N 3 2 251.374 0.321 20 0 CCADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](C[C@@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000621784205 366866462 /nfs/dbraw/zinc/86/64/62/366866462.db2.gz LIPINOUQVDRMCE-OBJOEFQTSA-N 3 2 251.374 0.321 20 0 CCADLP [NH3+][C@]12CCC[C@H]1C[N@H+](CCCN1CCOCC1)C2 ZINC000621784187 366866547 /nfs/dbraw/zinc/86/65/47/366866547.db2.gz LDWPARUWDSDBQZ-KBPBESRZSA-N 2 2 253.390 0.522 20 0 CCADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCCN1CCOCC1)C2 ZINC000621784187 366866550 /nfs/dbraw/zinc/86/65/50/366866550.db2.gz LDWPARUWDSDBQZ-KBPBESRZSA-N 2 2 253.390 0.522 20 0 CCADLP [NH3+][C@]12CCC[C@H]1CN(CCC[NH+]1CCOCC1)C2 ZINC000621784187 366866552 /nfs/dbraw/zinc/86/65/52/366866552.db2.gz LDWPARUWDSDBQZ-KBPBESRZSA-N 2 2 253.390 0.522 20 0 CCADLP CC(C)(C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)c1c[nH]c[nH+]1 ZINC000614505424 364636125 /nfs/dbraw/zinc/63/61/25/364636125.db2.gz OCTOUKVGNNBXBS-GFCCVEGCSA-N 2 2 291.399 0.193 20 0 CCADLP CC(C)(C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2)c1c[nH]c[nH+]1 ZINC000614505424 364636128 /nfs/dbraw/zinc/63/61/28/364636128.db2.gz OCTOUKVGNNBXBS-GFCCVEGCSA-N 2 2 291.399 0.193 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000614839970 364741527 /nfs/dbraw/zinc/74/15/27/364741527.db2.gz VYNWAYCVVAABOC-VHSXEESVSA-N 2 2 250.346 0.581 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000614839970 364741532 /nfs/dbraw/zinc/74/15/32/364741532.db2.gz VYNWAYCVVAABOC-VHSXEESVSA-N 2 2 250.346 0.581 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1cccnc1 ZINC000564944578 291322847 /nfs/dbraw/zinc/32/28/47/291322847.db2.gz USPYECPYCDPCAA-AAEUAGOBSA-N 2 2 262.357 0.286 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1cccnc1 ZINC000564944578 291322848 /nfs/dbraw/zinc/32/28/48/291322848.db2.gz USPYECPYCDPCAA-AAEUAGOBSA-N 2 2 262.357 0.286 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)N[C@H](CO)C[NH+](C)C)ccn12 ZINC000614857017 364756612 /nfs/dbraw/zinc/75/66/12/364756612.db2.gz FBFYFYBLXZANTP-LBPRGKRZSA-N 2 2 276.340 0.295 20 0 CCADLP COCc1noc([C@H](C)[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)n1 ZINC000564987889 291331664 /nfs/dbraw/zinc/33/16/64/291331664.db2.gz RQQPQNGLNVCNHC-KXUCPTDWSA-N 2 2 254.334 0.946 20 0 CCADLP COCc1noc([C@H](C)[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)n1 ZINC000564987889 291331667 /nfs/dbraw/zinc/33/16/67/291331667.db2.gz RQQPQNGLNVCNHC-KXUCPTDWSA-N 2 2 254.334 0.946 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615534595 364994426 /nfs/dbraw/zinc/99/44/26/364994426.db2.gz KTFGZZHAOMKZKK-ZDUSSCGKSA-N 2 2 278.356 0.206 20 0 CCADLP C[NH+](C)CC(C)(C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000616188293 365208545 /nfs/dbraw/zinc/20/85/45/365208545.db2.gz RNAIUCHLHVKSRX-LLVKDONJSA-N 2 2 264.373 0.902 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](OCc2ccncc2)C1 ZINC000565165167 291350878 /nfs/dbraw/zinc/35/08/78/291350878.db2.gz QVOFXCZXRIELTB-HOTGVXAUSA-N 2 2 293.411 0.985 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](OCc2ccncc2)C1 ZINC000565165167 291350880 /nfs/dbraw/zinc/35/08/80/291350880.db2.gz QVOFXCZXRIELTB-HOTGVXAUSA-N 2 2 293.411 0.985 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000565165167 291350881 /nfs/dbraw/zinc/35/08/81/291350881.db2.gz QVOFXCZXRIELTB-HOTGVXAUSA-N 2 2 293.411 0.985 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000565165167 291350883 /nfs/dbraw/zinc/35/08/83/291350883.db2.gz QVOFXCZXRIELTB-HOTGVXAUSA-N 2 2 293.411 0.985 20 0 CCADLP COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1CCn1cc[nH+]c1C ZINC000275656844 193097922 /nfs/dbraw/zinc/09/79/22/193097922.db2.gz XSGRZNLFXYNGFT-NWDGAFQWSA-N 2 2 267.329 0.190 20 0 CCADLP COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1CCn1cc[nH+]c1C ZINC000275656844 193097924 /nfs/dbraw/zinc/09/79/24/193097924.db2.gz XSGRZNLFXYNGFT-NWDGAFQWSA-N 2 2 267.329 0.190 20 0 CCADLP C[C@H](CNC(=O)[C@H](C)[NH+]1CC(C)C1)Cn1cc[nH+]c1 ZINC000565189117 291354928 /nfs/dbraw/zinc/35/49/28/291354928.db2.gz LYLIXERSUBUEAF-YPMHNXCESA-N 2 2 264.373 0.976 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000565200982 291358178 /nfs/dbraw/zinc/35/81/78/291358178.db2.gz SQJYYGUWRBBRBB-TZMCWYRMSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000565200982 291358180 /nfs/dbraw/zinc/35/81/80/291358180.db2.gz SQJYYGUWRBBRBB-TZMCWYRMSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000565200982 291358183 /nfs/dbraw/zinc/35/81/83/291358183.db2.gz SQJYYGUWRBBRBB-TZMCWYRMSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000565200982 291358186 /nfs/dbraw/zinc/35/81/86/291358186.db2.gz SQJYYGUWRBBRBB-TZMCWYRMSA-N 2 2 294.399 0.551 20 0 CCADLP COC1CC[NH+](CCNC(=O)C(C)(C)c2c[nH]c[nH+]2)CC1 ZINC000621904082 366919229 /nfs/dbraw/zinc/91/92/29/366919229.db2.gz AVCVPTNIOUUBIS-UHFFFAOYSA-N 2 2 294.399 0.914 20 0 CCADLP COC1CC[NH+](CCNC(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000621904082 366919232 /nfs/dbraw/zinc/91/92/32/366919232.db2.gz AVCVPTNIOUUBIS-UHFFFAOYSA-N 2 2 294.399 0.914 20 0 CCADLP C[C@H]1C[C@H](NC(=O)NCCc2cn(C)c[nH+]2)C[N@@H+]1C1CC1 ZINC000565290315 291368982 /nfs/dbraw/zinc/36/89/82/291368982.db2.gz IDNNPMCDRNDXRC-AAEUAGOBSA-N 2 2 291.399 0.887 20 0 CCADLP C[C@H]1C[C@H](NC(=O)NCCc2cn(C)c[nH+]2)C[N@H+]1C1CC1 ZINC000565290315 291368984 /nfs/dbraw/zinc/36/89/84/291368984.db2.gz IDNNPMCDRNDXRC-AAEUAGOBSA-N 2 2 291.399 0.887 20 0 CCADLP CN(C)[C@@H](C(=O)N(C)CC[NH+]1CCCC1)c1c[nH+]cn1C ZINC000622353375 367128182 /nfs/dbraw/zinc/12/81/82/367128182.db2.gz LITTVGBLRRRPIA-CQSZACIVSA-N 2 2 293.415 0.577 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000622630942 367231814 /nfs/dbraw/zinc/23/18/14/367231814.db2.gz CDTCDJCALPARLT-ZDUSSCGKSA-N 2 2 294.399 0.316 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000622630942 367231819 /nfs/dbraw/zinc/23/18/19/367231819.db2.gz CDTCDJCALPARLT-ZDUSSCGKSA-N 2 2 294.399 0.316 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCc1cn(C)c[nH+]1 ZINC000622685922 367297168 /nfs/dbraw/zinc/29/71/68/367297168.db2.gz QESRINRFRSUYFQ-LBPRGKRZSA-N 2 2 280.372 0.047 20 0 CCADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2ccc(N)[nH+]c2)C1(C)C ZINC000566237110 291381628 /nfs/dbraw/zinc/38/16/28/291381628.db2.gz KGWNGOIDKJKAJZ-YGRLFVJLSA-N 2 2 278.356 0.965 20 0 CCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)CCc1c[nH+]cn1C ZINC000622728754 367362429 /nfs/dbraw/zinc/36/24/29/367362429.db2.gz JZRUDILLNFQXCU-CYBMUJFWSA-N 2 2 264.373 0.905 20 0 CCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)CCc1c[nH+]cn1C ZINC000622728754 367362431 /nfs/dbraw/zinc/36/24/31/367362431.db2.gz JZRUDILLNFQXCU-CYBMUJFWSA-N 2 2 264.373 0.905 20 0 CCADLP CC(C)[C@@H]([NH3+])CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000623176346 367464689 /nfs/dbraw/zinc/46/46/89/367464689.db2.gz WBKXPYZIVIJUOD-QWRGUYRKSA-N 2 2 250.346 0.545 20 0 CCADLP C[C@H](CNC(=O)NC[C@@H]1COCC[N@@H+]1C)C[NH+]1CCCC1 ZINC000623713008 367628782 /nfs/dbraw/zinc/62/87/82/367628782.db2.gz QIPBSTRZVMPTKT-ZIAGYGMSSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@H](CNC(=O)NC[C@@H]1COCC[N@H+]1C)C[NH+]1CCCC1 ZINC000623713008 367628785 /nfs/dbraw/zinc/62/87/85/367628785.db2.gz QIPBSTRZVMPTKT-ZIAGYGMSSA-N 2 2 298.431 0.348 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000623633472 367610916 /nfs/dbraw/zinc/61/09/16/367610916.db2.gz RFGGBPXAOHZLRW-KGLIPLIRSA-N 2 2 296.415 0.101 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000623633472 367610923 /nfs/dbraw/zinc/61/09/23/367610923.db2.gz RFGGBPXAOHZLRW-KGLIPLIRSA-N 2 2 296.415 0.101 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000623633472 367610932 /nfs/dbraw/zinc/61/09/32/367610932.db2.gz RFGGBPXAOHZLRW-KGLIPLIRSA-N 2 2 296.415 0.101 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000623633472 367610940 /nfs/dbraw/zinc/61/09/40/367610940.db2.gz RFGGBPXAOHZLRW-KGLIPLIRSA-N 2 2 296.415 0.101 20 0 CCADLP COCCn1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cn1 ZINC000623786042 367658421 /nfs/dbraw/zinc/65/84/21/367658421.db2.gz UMDABZNJSSQOPV-ZDUSSCGKSA-N 2 2 252.362 0.713 20 0 CCADLP COCCn1cc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cn1 ZINC000623786042 367658431 /nfs/dbraw/zinc/65/84/31/367658431.db2.gz UMDABZNJSSQOPV-ZDUSSCGKSA-N 2 2 252.362 0.713 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000566352052 291396569 /nfs/dbraw/zinc/39/65/69/291396569.db2.gz STZDEMAZDQDPJR-SWLSCSKDSA-N 2 2 293.415 0.832 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000566352052 291396570 /nfs/dbraw/zinc/39/65/70/291396570.db2.gz STZDEMAZDQDPJR-SWLSCSKDSA-N 2 2 293.415 0.832 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000566352052 291396573 /nfs/dbraw/zinc/39/65/73/291396573.db2.gz STZDEMAZDQDPJR-SWLSCSKDSA-N 2 2 293.415 0.832 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000566352052 291396575 /nfs/dbraw/zinc/39/65/75/291396575.db2.gz STZDEMAZDQDPJR-SWLSCSKDSA-N 2 2 293.415 0.832 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCOCC1 ZINC000624085302 367747425 /nfs/dbraw/zinc/74/74/25/367747425.db2.gz LYLJXZUZEKEOEF-STQMWFEESA-N 2 2 269.389 0.485 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCOCC1 ZINC000624085302 367747433 /nfs/dbraw/zinc/74/74/33/367747433.db2.gz LYLJXZUZEKEOEF-STQMWFEESA-N 2 2 269.389 0.485 20 0 CCADLP Cc1n[nH]cc1[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624085261 367748272 /nfs/dbraw/zinc/74/82/72/367748272.db2.gz IYJFTTVNECORRS-GWCFXTLKSA-N 2 2 279.388 0.709 20 0 CCADLP Cc1n[nH]cc1[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624085261 367748273 /nfs/dbraw/zinc/74/82/73/367748273.db2.gz IYJFTTVNECORRS-GWCFXTLKSA-N 2 2 279.388 0.709 20 0 CCADLP Nc1nc(N)[nH+]c(N2CCC[C@@H]([NH+]3CCCC3)CC2)n1 ZINC000623984349 367715543 /nfs/dbraw/zinc/71/55/43/367715543.db2.gz FLHYAEBPMXFPEV-SNVBAGLBSA-N 2 2 277.376 0.151 20 0 CCADLP C[C@H](CCn1cccn1)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624230366 367796363 /nfs/dbraw/zinc/79/63/63/367796363.db2.gz WDNLDXAOVPPSMG-CHWSQXEVSA-N 2 2 252.362 0.318 20 0 CCADLP C[C@H](CCn1cccn1)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624230366 367796364 /nfs/dbraw/zinc/79/63/64/367796364.db2.gz WDNLDXAOVPPSMG-CHWSQXEVSA-N 2 2 252.362 0.318 20 0 CCADLP COc1ccc(C[C@H](C)[NH2+]CC[N@@H+]2CC[C@@H](O)C2)cn1 ZINC000624230770 367799393 /nfs/dbraw/zinc/79/93/93/367799393.db2.gz GMJMVPINJXRYQF-GXTWGEPZSA-N 2 2 279.384 0.677 20 0 CCADLP COc1ccc(C[C@H](C)[NH2+]CC[N@H+]2CC[C@@H](O)C2)cn1 ZINC000624230770 367799397 /nfs/dbraw/zinc/79/93/97/367799397.db2.gz GMJMVPINJXRYQF-GXTWGEPZSA-N 2 2 279.384 0.677 20 0 CCADLP C[N@@H+]1CC[C@@H]([NH+]2CCO[C@H](CC(N)=O)C2)CC1(C)C ZINC000624250725 367807217 /nfs/dbraw/zinc/80/72/17/367807217.db2.gz ASZISQLBLQMBGC-VXGBXAGGSA-N 2 2 269.389 0.435 20 0 CCADLP C[N@H+]1CC[C@@H]([NH+]2CCO[C@H](CC(N)=O)C2)CC1(C)C ZINC000624250725 367807219 /nfs/dbraw/zinc/80/72/19/367807219.db2.gz ASZISQLBLQMBGC-VXGBXAGGSA-N 2 2 269.389 0.435 20 0 CCADLP C[NH+]1CC[C@@H]([N@@H+]2CCO[C@H](CC(N)=O)C2)CC1(C)C ZINC000624250725 367807223 /nfs/dbraw/zinc/80/72/23/367807223.db2.gz ASZISQLBLQMBGC-VXGBXAGGSA-N 2 2 269.389 0.435 20 0 CCADLP C[NH+]1CC[C@@H]([N@H+]2CCO[C@H](CC(N)=O)C2)CC1(C)C ZINC000624250725 367807227 /nfs/dbraw/zinc/80/72/27/367807227.db2.gz ASZISQLBLQMBGC-VXGBXAGGSA-N 2 2 269.389 0.435 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000624334656 367836060 /nfs/dbraw/zinc/83/60/60/367836060.db2.gz FCRVDUHTQCLBQB-FPMFFAJLSA-N 2 2 253.390 0.125 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000624334656 367836063 /nfs/dbraw/zinc/83/60/63/367836063.db2.gz FCRVDUHTQCLBQB-FPMFFAJLSA-N 2 2 253.390 0.125 20 0 CCADLP COC1(C[C@H](C)[NH2+]CC[N@@H+]2CC[C@H](O)C2)CCC1 ZINC000624337411 367838611 /nfs/dbraw/zinc/83/86/11/367838611.db2.gz JKQQDBQIDQUIBO-STQMWFEESA-N 2 2 256.390 0.990 20 0 CCADLP COC1(C[C@H](C)[NH2+]CC[N@H+]2CC[C@H](O)C2)CCC1 ZINC000624337411 367838617 /nfs/dbraw/zinc/83/86/17/367838617.db2.gz JKQQDBQIDQUIBO-STQMWFEESA-N 2 2 256.390 0.990 20 0 CCADLP Cn1c2ccccc2[nH+]c1NCC[N@@H+]1CC[C@H](O)C1 ZINC000624774536 367990887 /nfs/dbraw/zinc/99/08/87/367990887.db2.gz QLDQBVGMEUUSDN-NSHDSACASA-N 2 2 260.341 0.474 20 0 CCADLP Cn1c2ccccc2[nH+]c1NCC[N@H+]1CC[C@H](O)C1 ZINC000624774536 367990896 /nfs/dbraw/zinc/99/08/96/367990896.db2.gz QLDQBVGMEUUSDN-NSHDSACASA-N 2 2 260.341 0.474 20 0 CCADLP O[C@H]1CC[N@H+](CCNc2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000624774862 367990969 /nfs/dbraw/zinc/99/09/69/367990969.db2.gz SAPRGGHETBRZHZ-NSHDSACASA-N 2 2 274.328 0.141 20 0 CCADLP O[C@H]1CC[N@@H+](CCNc2cc(-n3cc[nH+]c3)ncn2)C1 ZINC000624774862 367990975 /nfs/dbraw/zinc/99/09/75/367990975.db2.gz SAPRGGHETBRZHZ-NSHDSACASA-N 2 2 274.328 0.141 20 0 CCADLP O[C@@H]1CC[N@H+](CCNc2cc[nH+]c3ccncc23)C1 ZINC000624677295 367950830 /nfs/dbraw/zinc/95/08/30/367950830.db2.gz CHZFFJHQAFFETN-LLVKDONJSA-N 2 2 258.325 0.530 20 0 CCADLP O[C@@H]1CC[N@@H+](CCNc2cc[nH+]c3ccncc23)C1 ZINC000624677295 367950832 /nfs/dbraw/zinc/95/08/32/367950832.db2.gz CHZFFJHQAFFETN-LLVKDONJSA-N 2 2 258.325 0.530 20 0 CCADLP CC[C@@H]1CN(c2nc(C)[nH+]c(N(C)C)n2)C[C@H](C)[NH2+]1 ZINC000624693697 367959024 /nfs/dbraw/zinc/95/90/24/367959024.db2.gz AKJYCEVRHRFNMM-GXSJLCMTSA-N 2 2 264.377 0.823 20 0 CCADLP CC(C)(C)n1nnc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])n1 ZINC000656200757 412763858 /nfs/dbraw/zinc/76/38/58/412763858.db2.gz PXOXIVQVQBRIIF-NXEZZACHSA-N 2 2 252.366 0.645 20 0 CCADLP C[NH2+]Cc1cccc(NC(=O)NC[C@@H]2COCC[N@@H+]2C)c1 ZINC000625896105 368361587 /nfs/dbraw/zinc/36/15/87/368361587.db2.gz RTFRHXRCGJAVKO-CQSZACIVSA-N 2 2 292.383 0.858 20 0 CCADLP C[NH2+]Cc1cccc(NC(=O)NC[C@@H]2COCC[N@H+]2C)c1 ZINC000625896105 368361589 /nfs/dbraw/zinc/36/15/89/368361589.db2.gz RTFRHXRCGJAVKO-CQSZACIVSA-N 2 2 292.383 0.858 20 0 CCADLP O=C(N1CCC(c2c[nH+]c[nH]2)CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000335500295 212179478 /nfs/dbraw/zinc/17/94/78/212179478.db2.gz DDQBUBTZUFJBOH-RISCZKNCSA-N 2 2 260.341 0.868 20 0 CCADLP O=C(N1CCC(c2c[nH]c[nH+]2)CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000335500295 212179481 /nfs/dbraw/zinc/17/94/81/212179481.db2.gz DDQBUBTZUFJBOH-RISCZKNCSA-N 2 2 260.341 0.868 20 0 CCADLP CCC1([NH+]2CCOCC2)CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000626088235 368436026 /nfs/dbraw/zinc/43/60/26/368436026.db2.gz PSYMKQXFADEAGX-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000626469316 368556004 /nfs/dbraw/zinc/55/60/04/368556004.db2.gz WLYSRXNQDCDKGI-NSHDSACASA-N 2 2 264.329 0.000 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000626469316 368556011 /nfs/dbraw/zinc/55/60/11/368556011.db2.gz WLYSRXNQDCDKGI-NSHDSACASA-N 2 2 264.329 0.000 20 0 CCADLP C[C@H](CCCO)[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000566737905 291434755 /nfs/dbraw/zinc/43/47/55/291434755.db2.gz OIEPCTGZAREAIR-RFGFWPKPSA-N 2 2 274.405 0.207 20 0 CCADLP C[C@H](CCCO)[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000566737906 291434852 /nfs/dbraw/zinc/43/48/52/291434852.db2.gz OIEPCTGZAREAIR-SYQHCUMBSA-N 2 2 274.405 0.207 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000626923846 368681350 /nfs/dbraw/zinc/68/13/50/368681350.db2.gz WTSZQZLXYAMLCC-CMPLNLGQSA-N 2 2 273.340 0.884 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632170535 370904868 /nfs/dbraw/zinc/90/48/68/370904868.db2.gz XSSYPCLSYFWXIX-NWDGAFQWSA-N 2 2 289.445 0.435 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000632170535 370904872 /nfs/dbraw/zinc/90/48/72/370904872.db2.gz XSSYPCLSYFWXIX-NWDGAFQWSA-N 2 2 289.445 0.435 20 0 CCADLP O=C(N[C@@H]1CC[NH2+]C1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000627004001 368729189 /nfs/dbraw/zinc/72/91/89/368729189.db2.gz CXJGZOZYBGHTMF-NEPJUHHUSA-N 2 2 275.356 0.321 20 0 CCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000627003341 368729309 /nfs/dbraw/zinc/72/93/09/368729309.db2.gz MZSCJELUHIFJHX-RDBSUJKOSA-N 2 2 298.431 0.345 20 0 CCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000627003341 368729310 /nfs/dbraw/zinc/72/93/10/368729310.db2.gz MZSCJELUHIFJHX-RDBSUJKOSA-N 2 2 298.431 0.345 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCc1cn(C)c[nH+]1 ZINC000627057890 368760404 /nfs/dbraw/zinc/76/04/04/368760404.db2.gz MQYQFSVXNZEPOA-NWDGAFQWSA-N 2 2 265.361 0.402 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000627118394 368810178 /nfs/dbraw/zinc/81/01/78/368810178.db2.gz ZSTZMPALFAIZTI-GARJFASQSA-N 2 2 265.361 0.921 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000627141691 368820644 /nfs/dbraw/zinc/82/06/44/368820644.db2.gz CAXWQPDXOMPJKH-NSHDSACASA-N 2 2 259.313 0.519 20 0 CCADLP Cc1cc(NCCNC(=O)NC[C@@H](C)[NH3+])nc(C(C)C)[nH+]1 ZINC000627088394 368788113 /nfs/dbraw/zinc/78/81/13/368788113.db2.gz GTUUZVSYSXEHND-SNVBAGLBSA-N 2 2 294.403 0.389 20 0 CCADLP C[C@@H](CCCC[NH3+])NC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000627093401 368792233 /nfs/dbraw/zinc/79/22/33/368792233.db2.gz NDJSOVMOXLFBRI-RYUDHWBXSA-N 2 2 272.393 0.134 20 0 CCADLP C[C@@H](CCCC[NH3+])NC(=O)NC[C@H]1COCC[N@H+]1C ZINC000627093401 368792238 /nfs/dbraw/zinc/79/22/38/368792238.db2.gz NDJSOVMOXLFBRI-RYUDHWBXSA-N 2 2 272.393 0.134 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)N(C)Cc2c[nH+]c[nH]2)C[NH2+]1 ZINC000627209528 368882193 /nfs/dbraw/zinc/88/21/93/368882193.db2.gz GFKCFWVHEKDYAF-UWVGGRQHSA-N 2 2 251.334 0.692 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)N(C)Cc2c[nH]c[nH+]2)C[NH2+]1 ZINC000627209528 368882200 /nfs/dbraw/zinc/88/22/00/368882200.db2.gz GFKCFWVHEKDYAF-UWVGGRQHSA-N 2 2 251.334 0.692 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000627240491 368902906 /nfs/dbraw/zinc/90/29/06/368902906.db2.gz QZTZSARTNRUMFJ-MELADBBJSA-N 2 2 296.415 0.243 20 0 CCADLP NC(=O)C1([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000656254867 412774003 /nfs/dbraw/zinc/77/40/03/412774003.db2.gz FMWOTZOZFXMBKB-GFCCVEGCSA-N 2 2 267.373 0.237 20 0 CCADLP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[NH+](CCCF)CC1 ZINC000627962369 369149703 /nfs/dbraw/zinc/14/97/03/369149703.db2.gz KSQFDXCMXWRWOM-CYBMUJFWSA-N 2 2 294.374 0.949 20 0 CCADLP COc1nc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)co1 ZINC000628062344 369174417 /nfs/dbraw/zinc/17/44/17/369174417.db2.gz COHHWLYLBNSCTD-UHFFFAOYSA-N 2 2 284.360 0.297 20 0 CCADLP COc1nc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)co1 ZINC000628062344 369174422 /nfs/dbraw/zinc/17/44/22/369174422.db2.gz COHHWLYLBNSCTD-UHFFFAOYSA-N 2 2 284.360 0.297 20 0 CCADLP O=C1NCC[C@H]1CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000574336196 335011516 /nfs/dbraw/zinc/01/15/16/335011516.db2.gz LALIJZQXTBGHDN-NSHDSACASA-N 2 2 263.345 0.058 20 0 CCADLP CCOC1CC([N@H+](C)C[C@H](O)C[NH+](C)CCOC)C1 ZINC000574337833 335012027 /nfs/dbraw/zinc/01/20/27/335012027.db2.gz YAQJQJGMILLPMT-ROKHWSDSSA-N 2 2 274.405 0.425 20 0 CCADLP CCOC1CC([N@@H+](C)C[C@H](O)C[NH+](C)CCOC)C1 ZINC000574337833 335012028 /nfs/dbraw/zinc/01/20/28/335012028.db2.gz YAQJQJGMILLPMT-ROKHWSDSSA-N 2 2 274.405 0.425 20 0 CCADLP CCOC1CC([NH+](C)C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000574337833 335012029 /nfs/dbraw/zinc/01/20/29/335012029.db2.gz YAQJQJGMILLPMT-ROKHWSDSSA-N 2 2 274.405 0.425 20 0 CCADLP CCOC1CC([NH+](C)C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000574337833 335012031 /nfs/dbraw/zinc/01/20/31/335012031.db2.gz YAQJQJGMILLPMT-ROKHWSDSSA-N 2 2 274.405 0.425 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cnc3ccccc3n2)C1 ZINC000628239349 369221684 /nfs/dbraw/zinc/22/16/84/369221684.db2.gz MPODZFYQJCRGPS-OAHLLOKOSA-N 2 2 272.352 0.786 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cnc3ccccc3n2)C1 ZINC000628239349 369221688 /nfs/dbraw/zinc/22/16/88/369221688.db2.gz MPODZFYQJCRGPS-OAHLLOKOSA-N 2 2 272.352 0.786 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000628648658 369358384 /nfs/dbraw/zinc/35/83/84/369358384.db2.gz LEGFECASJNFXPY-IJLUTSLNSA-N 2 2 262.357 0.734 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000628648658 369358388 /nfs/dbraw/zinc/35/83/88/369358388.db2.gz LEGFECASJNFXPY-IJLUTSLNSA-N 2 2 262.357 0.734 20 0 CCADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628913623 369449195 /nfs/dbraw/zinc/44/91/95/369449195.db2.gz BNVCJFCWNSHOBY-RYUDHWBXSA-N 2 2 271.405 0.600 20 0 CCADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000628913623 369449197 /nfs/dbraw/zinc/44/91/97/369449197.db2.gz BNVCJFCWNSHOBY-RYUDHWBXSA-N 2 2 271.405 0.600 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](CC(=O)NC2CC2)CC[C@@H]1C(F)(F)F ZINC000629563569 369710734 /nfs/dbraw/zinc/71/07/34/369710734.db2.gz GKIHTTQCCAPSGJ-WPRPVWTQSA-N 2 2 279.306 0.724 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)NC2CC2)CC[C@@H]1C(F)(F)F ZINC000629563569 369710740 /nfs/dbraw/zinc/71/07/40/369710740.db2.gz GKIHTTQCCAPSGJ-WPRPVWTQSA-N 2 2 279.306 0.724 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1CCc2cn[nH]c2C1)C[NH+]1CCCC1 ZINC000629568300 369714011 /nfs/dbraw/zinc/71/40/11/369714011.db2.gz SUDCDDYXFVDQMN-OLZOCXBDSA-N 2 2 264.373 0.313 20 0 CCADLP CCc1noc([C@H](C)[N@H+](C)CCOCC[NH2+]C)n1 ZINC000629568489 369714046 /nfs/dbraw/zinc/71/40/46/369714046.db2.gz KSQSDMFIGBXTIA-JTQLQIEISA-N 2 2 256.350 0.861 20 0 CCADLP CCc1noc([C@H](C)[N@@H+](C)CCOCC[NH2+]C)n1 ZINC000629568489 369714050 /nfs/dbraw/zinc/71/40/50/369714050.db2.gz KSQSDMFIGBXTIA-JTQLQIEISA-N 2 2 256.350 0.861 20 0 CCADLP CCCNC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629569455 369714325 /nfs/dbraw/zinc/71/43/25/369714325.db2.gz WVOWPUHVKVDFML-ZJUUUORDSA-N 2 2 281.322 0.972 20 0 CCADLP CCCNC(=O)C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629569455 369714334 /nfs/dbraw/zinc/71/43/34/369714334.db2.gz WVOWPUHVKVDFML-ZJUUUORDSA-N 2 2 281.322 0.972 20 0 CCADLP Cc1cc(C[C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)n[nH]1 ZINC000629571294 369716054 /nfs/dbraw/zinc/71/60/54/369716054.db2.gz KOVCCIIMZREKJI-FZMZJTMJSA-N 2 2 266.389 0.695 20 0 CCADLP C[NH2+]CCOCC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000629530719 369692179 /nfs/dbraw/zinc/69/21/79/369692179.db2.gz OSUFLZMTEAEECE-ZDUSSCGKSA-N 2 2 275.356 0.720 20 0 CCADLP C[N@H+](CCOCC[NH3+])Cc1nc(-c2ccccn2)no1 ZINC000629578608 369721334 /nfs/dbraw/zinc/72/13/34/369721334.db2.gz UBXALSTZMOLDCW-UHFFFAOYSA-N 2 2 277.328 0.539 20 0 CCADLP C[N@@H+](CCOCC[NH3+])Cc1nc(-c2ccccn2)no1 ZINC000629578608 369721337 /nfs/dbraw/zinc/72/13/37/369721337.db2.gz UBXALSTZMOLDCW-UHFFFAOYSA-N 2 2 277.328 0.539 20 0 CCADLP [NH3+]CCCOCC[NH2+][C@H](c1cccs1)c1nnc[nH]1 ZINC000629538590 369696110 /nfs/dbraw/zinc/69/61/10/369696110.db2.gz NYEYOITYYYUTIH-LLVKDONJSA-N 2 2 281.385 0.911 20 0 CCADLP Cc1noc([C@H]2OCC[C@H]2[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)n1 ZINC000629545435 369698700 /nfs/dbraw/zinc/69/87/00/369698700.db2.gz IWMRTFLAXJTGQW-SYEHKZFSSA-N 2 2 296.371 0.565 20 0 CCADLP NC(=O)C1=NO[C@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000276485022 193351325 /nfs/dbraw/zinc/35/13/25/193351325.db2.gz OZRPBDUFWVNFSW-ZDUSSCGKSA-N 2 2 299.334 0.592 20 0 CCADLP COC[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000629604255 369736956 /nfs/dbraw/zinc/73/69/56/369736956.db2.gz ILCAWSPCTSVWDK-KBPBESRZSA-N 2 2 256.390 0.990 20 0 CCADLP COC[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000629604255 369736960 /nfs/dbraw/zinc/73/69/60/369736960.db2.gz ILCAWSPCTSVWDK-KBPBESRZSA-N 2 2 256.390 0.990 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CO[C@H](C2CC2)C1)C1CC1 ZINC000629607319 369738019 /nfs/dbraw/zinc/73/80/19/369738019.db2.gz LGGRCSXWTKRLNS-YUTCNCBUSA-N 2 2 254.374 0.599 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CO[C@H](C2CC2)C1)C1CC1 ZINC000629607319 369738021 /nfs/dbraw/zinc/73/80/21/369738021.db2.gz LGGRCSXWTKRLNS-YUTCNCBUSA-N 2 2 254.374 0.599 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCN(C2CCC2)C1=O)C1CC1 ZINC000629617005 369741534 /nfs/dbraw/zinc/74/15/34/369741534.db2.gz DUYPHIWBOOFNRZ-UONOGXRCSA-N 2 2 281.400 0.185 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCN(C2CCC2)C1=O)C1CC1 ZINC000629617005 369741538 /nfs/dbraw/zinc/74/15/38/369741538.db2.gz DUYPHIWBOOFNRZ-UONOGXRCSA-N 2 2 281.400 0.185 20 0 CCADLP O=C1NCC[NH2+][C@@H]1c1ccc(C2=CC[NH2+]CC2)cc1 ZINC000629724172 369764277 /nfs/dbraw/zinc/76/42/77/369764277.db2.gz ZRATVMCULFFFMK-CQSZACIVSA-N 2 2 257.337 0.824 20 0 CCADLP C[N@H+](CCOCC[NH3+])CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000629580855 369724979 /nfs/dbraw/zinc/72/49/79/369724979.db2.gz ZXJVCOMQSUTLJN-UHFFFAOYSA-N 2 2 298.387 0.818 20 0 CCADLP C[N@@H+](CCOCC[NH3+])CC(=O)Nc1cc(C(C)(C)C)no1 ZINC000629580855 369724984 /nfs/dbraw/zinc/72/49/84/369724984.db2.gz ZXJVCOMQSUTLJN-UHFFFAOYSA-N 2 2 298.387 0.818 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCc2c(O)cccc2C1 ZINC000629582065 369726735 /nfs/dbraw/zinc/72/67/35/369726735.db2.gz NCBIUFVXVPIORC-AWEZNQCLSA-N 2 2 250.342 0.721 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCc2c(O)cccc2C1 ZINC000629582065 369726737 /nfs/dbraw/zinc/72/67/37/369726737.db2.gz NCBIUFVXVPIORC-AWEZNQCLSA-N 2 2 250.342 0.721 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)CC(F)(F)F ZINC000629605542 369736818 /nfs/dbraw/zinc/73/68/18/369736818.db2.gz JSNKEKBAGIJDQJ-ZJUUUORDSA-N 2 2 297.321 0.229 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)CC(F)(F)F ZINC000629605542 369736824 /nfs/dbraw/zinc/73/68/24/369736824.db2.gz JSNKEKBAGIJDQJ-ZJUUUORDSA-N 2 2 297.321 0.229 20 0 CCADLP C[NH2+]C1(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CCC1 ZINC000630000850 369884749 /nfs/dbraw/zinc/88/47/49/369884749.db2.gz SLAQWWWZYKWPES-NSHDSACASA-N 2 2 262.357 0.704 20 0 CCADLP Cc1ccc(NC(=O)C(=O)N2CCC([NH3+])CC2)c(C)[nH+]1 ZINC000630060571 369930846 /nfs/dbraw/zinc/93/08/46/369930846.db2.gz MLEIEAPGFMQLAS-UHFFFAOYSA-N 2 2 276.340 0.587 20 0 CCADLP CO[C@@H]1CN(C(=O)c2ccc3[nH+]ccn3c2)[C@](C)(C[NH3+])C1 ZINC000630371581 370073117 /nfs/dbraw/zinc/07/31/17/370073117.db2.gz ACXTYQCRMXYQBJ-WFASDCNBSA-N 2 2 288.351 0.913 20 0 CCADLP CC[NH+](CC)Cc1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC000630592919 370194045 /nfs/dbraw/zinc/19/40/45/370194045.db2.gz AUTKPJNCNZCZAC-UHFFFAOYSA-N 2 2 261.329 0.996 20 0 CCADLP CC[NH+]1CCC(CNC(=O)[C@@H]([NH3+])c2cscn2)CC1 ZINC000567608636 291494579 /nfs/dbraw/zinc/49/45/79/291494579.db2.gz GSIDHMMSAXAUOD-LBPRGKRZSA-N 2 2 282.413 0.991 20 0 CCADLP C[C@H](O)C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631029777 370363087 /nfs/dbraw/zinc/36/30/87/370363087.db2.gz GXHMTEGDJYZQNV-AWEZNQCLSA-N 2 2 294.395 0.868 20 0 CCADLP CC(C)n1ncnc1C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000631065455 370372957 /nfs/dbraw/zinc/37/29/57/370372957.db2.gz SMAXPRWVCAXTTL-CYBMUJFWSA-N 2 2 280.420 0.585 20 0 CCADLP Cc1nc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)nc(N)[nH+]1 ZINC000631183775 370413566 /nfs/dbraw/zinc/41/35/66/370413566.db2.gz LBKZQJGEIMWODC-GFCCVEGCSA-N 2 2 276.388 0.761 20 0 CCADLP Cc1nc(N)nc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)[nH+]1 ZINC000631183775 370413569 /nfs/dbraw/zinc/41/35/69/370413569.db2.gz LBKZQJGEIMWODC-GFCCVEGCSA-N 2 2 276.388 0.761 20 0 CCADLP c1[nH+]c2n(c1C[NH2+]C1CN(c3ccncn3)C1)CCC2 ZINC000631254903 370439609 /nfs/dbraw/zinc/43/96/09/370439609.db2.gz BCGSKLKVHHIUQR-UHFFFAOYSA-N 2 2 270.340 0.598 20 0 CCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)C2([NH+]3CCOCC3)CC2)C1 ZINC000631557298 370591072 /nfs/dbraw/zinc/59/10/72/370591072.db2.gz BOQXXHYPPBCWEL-CQSZACIVSA-N 2 2 295.427 0.651 20 0 CCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)C2([NH+]3CCOCC3)CC2)C1 ZINC000631557298 370591078 /nfs/dbraw/zinc/59/10/78/370591078.db2.gz BOQXXHYPPBCWEL-CQSZACIVSA-N 2 2 295.427 0.651 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@@H](C)O1 ZINC000631626462 370614662 /nfs/dbraw/zinc/61/46/62/370614662.db2.gz YAQGOHDHELMWPI-UMVBOHGHSA-N 2 2 297.443 0.942 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000331616304 204015354 /nfs/dbraw/zinc/01/53/54/204015354.db2.gz KOFSTEHEBGPOOX-HNNXBMFYSA-N 2 2 296.415 0.640 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000331616304 204015357 /nfs/dbraw/zinc/01/53/57/204015357.db2.gz KOFSTEHEBGPOOX-HNNXBMFYSA-N 2 2 296.415 0.640 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000331616304 204015361 /nfs/dbraw/zinc/01/53/61/204015361.db2.gz KOFSTEHEBGPOOX-HNNXBMFYSA-N 2 2 296.415 0.640 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000331616304 204015366 /nfs/dbraw/zinc/01/53/66/204015366.db2.gz KOFSTEHEBGPOOX-HNNXBMFYSA-N 2 2 296.415 0.640 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000632792655 371263944 /nfs/dbraw/zinc/26/39/44/371263944.db2.gz ZWAGUZQEJQZRJS-QLFBSQMISA-N 2 2 297.443 0.896 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C[NH+]2CCOCC2)CC[N@H+]1C ZINC000632792655 371263949 /nfs/dbraw/zinc/26/39/49/371263949.db2.gz ZWAGUZQEJQZRJS-QLFBSQMISA-N 2 2 297.443 0.896 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000633109682 371401800 /nfs/dbraw/zinc/40/18/00/371401800.db2.gz HMHKRNYMWZWRFT-LLVKDONJSA-N 2 2 293.371 0.098 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000633109682 371401805 /nfs/dbraw/zinc/40/18/05/371401805.db2.gz HMHKRNYMWZWRFT-LLVKDONJSA-N 2 2 293.371 0.098 20 0 CCADLP CC(C)(C(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1c[nH]c[nH+]1 ZINC000633481132 371568985 /nfs/dbraw/zinc/56/89/85/371568985.db2.gz KAUDANLTMGVAIK-GFCCVEGCSA-N 2 2 294.399 0.650 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2C[C@@H](C)OC[C@@H]2C)CC[N@@H+]1C ZINC000633616031 371631793 /nfs/dbraw/zinc/63/17/93/371631793.db2.gz BYFIOUMLCYMHEH-LJISPDSOSA-N 2 2 297.443 0.942 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2C[C@@H](C)OC[C@@H]2C)CC[N@H+]1C ZINC000633616031 371631798 /nfs/dbraw/zinc/63/17/98/371631798.db2.gz BYFIOUMLCYMHEH-LJISPDSOSA-N 2 2 297.443 0.942 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)CC[NH+]1C ZINC000633616031 371631801 /nfs/dbraw/zinc/63/18/01/371631801.db2.gz BYFIOUMLCYMHEH-LJISPDSOSA-N 2 2 297.443 0.942 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)CC[NH+]1C ZINC000633616031 371631805 /nfs/dbraw/zinc/63/18/05/371631805.db2.gz BYFIOUMLCYMHEH-LJISPDSOSA-N 2 2 297.443 0.942 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1CSC1 ZINC000633619854 371635629 /nfs/dbraw/zinc/63/56/29/371635629.db2.gz YAAQEHBYCDFZAE-UHFFFAOYSA-N 2 2 259.419 0.349 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1CSC1 ZINC000633619854 371635635 /nfs/dbraw/zinc/63/56/35/371635635.db2.gz YAAQEHBYCDFZAE-UHFFFAOYSA-N 2 2 259.419 0.349 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CCC[NH+](C)C)CC[N@@H+]1C ZINC000633619849 371635760 /nfs/dbraw/zinc/63/57/60/371635760.db2.gz XZZCBTFLDPTFES-LSDHHAIUSA-N 3 2 298.475 0.716 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)CCC[NH+](C)C)CC[N@H+]1C ZINC000633619849 371635765 /nfs/dbraw/zinc/63/57/65/371635765.db2.gz XZZCBTFLDPTFES-LSDHHAIUSA-N 3 2 298.475 0.716 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)CC[NH+]1C ZINC000633619849 371635771 /nfs/dbraw/zinc/63/57/71/371635771.db2.gz XZZCBTFLDPTFES-LSDHHAIUSA-N 3 2 298.475 0.716 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC[NH+]1C ZINC000633619849 371635777 /nfs/dbraw/zinc/63/57/77/371635777.db2.gz XZZCBTFLDPTFES-LSDHHAIUSA-N 3 2 298.475 0.716 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCOC(C)(C)C2)[C@H](C[NH3+])C1 ZINC000633783660 371707339 /nfs/dbraw/zinc/70/73/39/371707339.db2.gz URMLBUHWICEHHO-CHWSQXEVSA-N 2 2 298.431 0.476 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCOC(C)(C)C2)[C@H](C[NH3+])C1 ZINC000633783660 371707345 /nfs/dbraw/zinc/70/73/45/371707345.db2.gz URMLBUHWICEHHO-CHWSQXEVSA-N 2 2 298.431 0.476 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000633896180 371771034 /nfs/dbraw/zinc/77/10/34/371771034.db2.gz FLNHYKGPGRLEPT-UHFFFAOYSA-N 2 2 277.368 0.598 20 0 CCADLP C[NH+](C)CC(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1 ZINC000634195306 371944410 /nfs/dbraw/zinc/94/44/10/371944410.db2.gz UQFOVAHEORPHPK-UHFFFAOYSA-N 2 2 277.372 0.334 20 0 CCADLP C[NH+](C)CC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634195306 371944413 /nfs/dbraw/zinc/94/44/13/371944413.db2.gz UQFOVAHEORPHPK-UHFFFAOYSA-N 3 2 277.372 0.334 20 0 CCADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)C1 ZINC000634723076 372170623 /nfs/dbraw/zinc/17/06/23/372170623.db2.gz ZPUCFRDEQJBYBG-RRFJBIMHSA-N 2 2 270.417 0.972 20 0 CCADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)C1 ZINC000634723076 372170627 /nfs/dbraw/zinc/17/06/27/372170627.db2.gz ZPUCFRDEQJBYBG-RRFJBIMHSA-N 2 2 270.417 0.972 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCCn2nccc21)C1CC1 ZINC000634730887 372175770 /nfs/dbraw/zinc/17/57/70/372175770.db2.gz WRDZFDBPLBWBQT-OLZOCXBDSA-N 2 2 264.373 0.763 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCCn2nccc21)C1CC1 ZINC000634730887 372175777 /nfs/dbraw/zinc/17/57/77/372175777.db2.gz WRDZFDBPLBWBQT-OLZOCXBDSA-N 2 2 264.373 0.763 20 0 CCADLP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@H]1CCc3[nH+]ccn3C1)C2 ZINC000634741673 372186126 /nfs/dbraw/zinc/18/61/26/372186126.db2.gz LEBIEDYKYAMYRD-VBNZEHGJSA-N 2 2 288.395 0.904 20 0 CCADLP CN1CCCC[C@H]([N@H+](C)C[C@@H](O)C[NH+](C)C2CC2)C1=O ZINC000634743929 372189740 /nfs/dbraw/zinc/18/97/40/372189740.db2.gz JBYFECQCDPVTDM-KBPBESRZSA-N 2 2 283.416 0.384 20 0 CCADLP CN1CCCC[C@H]([N@@H+](C)C[C@@H](O)C[NH+](C)C2CC2)C1=O ZINC000634743929 372189743 /nfs/dbraw/zinc/18/97/43/372189743.db2.gz JBYFECQCDPVTDM-KBPBESRZSA-N 2 2 283.416 0.384 20 0 CCADLP CN1CCCC[C@H]([NH+](C)C[C@@H](O)C[N@H+](C)C2CC2)C1=O ZINC000634743929 372189747 /nfs/dbraw/zinc/18/97/47/372189747.db2.gz JBYFECQCDPVTDM-KBPBESRZSA-N 2 2 283.416 0.384 20 0 CCADLP CN1CCCC[C@H]([NH+](C)C[C@@H](O)C[N@@H+](C)C2CC2)C1=O ZINC000634743929 372189750 /nfs/dbraw/zinc/18/97/50/372189750.db2.gz JBYFECQCDPVTDM-KBPBESRZSA-N 2 2 283.416 0.384 20 0 CCADLP CN(c1cc(-n2cc[nH+]c2)ncn1)[C@@H](C[NH3+])C1CC1 ZINC000634811330 372254499 /nfs/dbraw/zinc/25/44/99/372254499.db2.gz BGCWXPJNDWJMRF-NSHDSACASA-N 2 2 258.329 0.836 20 0 CCADLP C[NH+](C)[C@H]1CCN(CCn2cc(Cn3cc[nH+]c3)nn2)C1 ZINC000656443702 412796359 /nfs/dbraw/zinc/79/63/59/412796359.db2.gz OGRMBEHXWNOBJT-AWEZNQCLSA-N 2 2 289.387 0.159 20 0 CCADLP CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634996183 372332185 /nfs/dbraw/zinc/33/21/85/372332185.db2.gz BVJJDSFDNFYNKD-QEWOUOOISA-N 2 2 291.317 0.739 20 0 CCADLP CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634996183 372332190 /nfs/dbraw/zinc/33/21/90/372332190.db2.gz BVJJDSFDNFYNKD-QEWOUOOISA-N 2 2 291.317 0.739 20 0 CCADLP Cn1cc([C@H]2OCCC[C@@H]2[NH2+]CC23CC(C2)C[NH2+]3)cn1 ZINC000634996161 372333552 /nfs/dbraw/zinc/33/35/52/372333552.db2.gz BHLMMAMQKVZOEB-PIBLMLOJSA-N 2 2 276.384 0.982 20 0 CCADLP CC(C)(C[NH+]1CCOCC1)C(=O)NCCCn1cc[nH+]c1 ZINC000635067152 372364040 /nfs/dbraw/zinc/36/40/40/372364040.db2.gz LHALBLCMCZKVJC-UHFFFAOYSA-N 2 2 294.399 0.748 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@H](C2CC2)[NH+](C)C)[nH+]1 ZINC000635381937 372482688 /nfs/dbraw/zinc/48/26/88/372482688.db2.gz DYQKLKQYHJHBGQ-GFCCVEGCSA-N 2 2 264.373 0.971 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC000635516922 372579609 /nfs/dbraw/zinc/57/96/09/372579609.db2.gz JGGRAABPUAZBSM-CYBMUJFWSA-N 2 2 285.432 0.489 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC000635516922 372579615 /nfs/dbraw/zinc/57/96/15/372579615.db2.gz JGGRAABPUAZBSM-CYBMUJFWSA-N 2 2 285.432 0.489 20 0 CCADLP Cc1cc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc[nH+]1 ZINC000333130010 205055510 /nfs/dbraw/zinc/05/55/10/205055510.db2.gz HUDALDBQGGZSGC-VXGBXAGGSA-N 2 2 260.341 0.885 20 0 CCADLP c1c([C@H]2COCC[NH2+]2)nnn1CCC[NH+]1CCSCC1 ZINC000656450071 412800376 /nfs/dbraw/zinc/80/03/76/412800376.db2.gz LLFVSEVMMZEHKO-CYBMUJFWSA-N 2 2 297.428 0.378 20 0 CCADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2COCC[NH+]2CC)C1 ZINC000347681034 284345306 /nfs/dbraw/zinc/34/53/06/284345306.db2.gz IVYRNZDZXWDGIV-KBPBESRZSA-N 2 2 283.416 0.507 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2COCC[NH+]2CC)C1 ZINC000347681034 284345308 /nfs/dbraw/zinc/34/53/08/284345308.db2.gz IVYRNZDZXWDGIV-KBPBESRZSA-N 2 2 283.416 0.507 20 0 CCADLP CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC)C1 ZINC000347681034 284345309 /nfs/dbraw/zinc/34/53/09/284345309.db2.gz IVYRNZDZXWDGIV-KBPBESRZSA-N 2 2 283.416 0.507 20 0 CCADLP CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CC)C1 ZINC000347681034 284345311 /nfs/dbraw/zinc/34/53/11/284345311.db2.gz IVYRNZDZXWDGIV-KBPBESRZSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000333156503 205076265 /nfs/dbraw/zinc/07/62/65/205076265.db2.gz FVHLBVZJKZODQX-CHWSQXEVSA-N 2 2 298.431 0.394 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000333157083 205078034 /nfs/dbraw/zinc/07/80/34/205078034.db2.gz FVHLBVZJKZODQX-STQMWFEESA-N 2 2 298.431 0.394 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000635716819 372808152 /nfs/dbraw/zinc/80/81/52/372808152.db2.gz VAGAETYZFXWSEK-MFKMUULPSA-N 2 2 262.357 0.868 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000635716819 372808158 /nfs/dbraw/zinc/80/81/58/372808158.db2.gz VAGAETYZFXWSEK-MFKMUULPSA-N 2 2 262.357 0.868 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000514612529 284349044 /nfs/dbraw/zinc/34/90/44/284349044.db2.gz POHFMQKQWZJNRF-AJNGGQMLSA-N 2 2 286.416 0.567 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000514612529 284349048 /nfs/dbraw/zinc/34/90/48/284349048.db2.gz POHFMQKQWZJNRF-AJNGGQMLSA-N 2 2 286.416 0.567 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000514612529 284349051 /nfs/dbraw/zinc/34/90/51/284349051.db2.gz POHFMQKQWZJNRF-AJNGGQMLSA-N 2 2 286.416 0.567 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000514612529 284349053 /nfs/dbraw/zinc/34/90/53/284349053.db2.gz POHFMQKQWZJNRF-AJNGGQMLSA-N 2 2 286.416 0.567 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000333239288 205145649 /nfs/dbraw/zinc/14/56/49/205145649.db2.gz DNKOQAPPJJIWDX-DGAVXFQQSA-N 2 2 256.390 0.894 20 0 CCADLP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000333247313 205148858 /nfs/dbraw/zinc/14/88/58/205148858.db2.gz FZLMBWDQXJWAOL-UMVBOHGHSA-N 2 2 295.427 0.873 20 0 CCADLP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000333247313 205148862 /nfs/dbraw/zinc/14/88/62/205148862.db2.gz FZLMBWDQXJWAOL-UMVBOHGHSA-N 2 2 295.427 0.873 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC000635788705 372910786 /nfs/dbraw/zinc/91/07/86/372910786.db2.gz FHTVDNOVTXMIAV-UHFFFAOYSA-N 2 2 276.384 0.955 20 0 CCADLP CCc1c[nH]c(CC(=O)NC2C[NH+](C(C)C)C2)[nH+]1 ZINC000635820184 372954557 /nfs/dbraw/zinc/95/45/57/372954557.db2.gz CCOBYCVKKXHUFS-UHFFFAOYSA-N 2 2 250.346 0.723 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635890154 373059487 /nfs/dbraw/zinc/05/94/87/373059487.db2.gz ZYDWSIHFIZBTFM-JHJVBQTASA-N 2 2 294.399 0.722 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635890154 373059492 /nfs/dbraw/zinc/05/94/92/373059492.db2.gz ZYDWSIHFIZBTFM-JHJVBQTASA-N 2 2 294.399 0.722 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635919568 373103971 /nfs/dbraw/zinc/10/39/71/373103971.db2.gz KOJUXHJBARHZMU-RBSFLKMASA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635919568 373103974 /nfs/dbraw/zinc/10/39/74/373103974.db2.gz KOJUXHJBARHZMU-RBSFLKMASA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635919566 373104233 /nfs/dbraw/zinc/10/42/33/373104233.db2.gz KOJUXHJBARHZMU-KFWWJZLASA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635919566 373104240 /nfs/dbraw/zinc/10/42/40/373104240.db2.gz KOJUXHJBARHZMU-KFWWJZLASA-N 2 2 295.427 0.650 20 0 CCADLP CC(C)C[C@H](C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)n1cc[nH+]c1 ZINC000635949004 373145190 /nfs/dbraw/zinc/14/51/90/373145190.db2.gz XRHSHUGHDTVPQV-RDBSUJKOSA-N 2 2 294.399 0.604 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000635987289 373210179 /nfs/dbraw/zinc/21/01/79/373210179.db2.gz VGOWPLYDSYGECX-NSHDSACASA-N 2 2 273.340 0.944 20 0 CCADLP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636034056 373281604 /nfs/dbraw/zinc/28/16/04/373281604.db2.gz GKNQNJWAPUEXMK-WUHRBBMRSA-N 2 2 292.383 0.427 20 0 CCADLP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636034056 373281612 /nfs/dbraw/zinc/28/16/12/373281612.db2.gz GKNQNJWAPUEXMK-WUHRBBMRSA-N 2 2 292.383 0.427 20 0 CCADLP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636034056 373281619 /nfs/dbraw/zinc/28/16/19/373281619.db2.gz GKNQNJWAPUEXMK-WUHRBBMRSA-N 2 2 292.383 0.427 20 0 CCADLP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636034056 373281623 /nfs/dbraw/zinc/28/16/23/373281623.db2.gz GKNQNJWAPUEXMK-WUHRBBMRSA-N 2 2 292.383 0.427 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C)[C@@H](C)C[N@@H+]1CCO ZINC000636035533 373284210 /nfs/dbraw/zinc/28/42/10/373284210.db2.gz SFOCVIJSJMGOFO-RDBSUJKOSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C)[C@@H](C)C[N@H+]1CCO ZINC000636035533 373284217 /nfs/dbraw/zinc/28/42/17/373284217.db2.gz SFOCVIJSJMGOFO-RDBSUJKOSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](C)C[NH+]1CCO ZINC000636035533 373284222 /nfs/dbraw/zinc/28/42/22/373284222.db2.gz SFOCVIJSJMGOFO-RDBSUJKOSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](C)C[NH+]1CCO ZINC000636035533 373284229 /nfs/dbraw/zinc/28/42/29/373284229.db2.gz SFOCVIJSJMGOFO-RDBSUJKOSA-N 2 2 283.416 0.384 20 0 CCADLP O=C([C@H]1CC[NH+]1C1CCCC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000636126273 373385078 /nfs/dbraw/zinc/38/50/78/373385078.db2.gz YMIFQZMRUABOHS-HUUCEWRRSA-N 2 2 293.411 0.281 20 0 CCADLP O=C([C@H]1CC[NH+]1C1CCCC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000636126273 373385087 /nfs/dbraw/zinc/38/50/87/373385087.db2.gz YMIFQZMRUABOHS-HUUCEWRRSA-N 2 2 293.411 0.281 20 0 CCADLP O=C([C@H]1CC[N@@H+]1C1CCCC1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000636126273 373385096 /nfs/dbraw/zinc/38/50/96/373385096.db2.gz YMIFQZMRUABOHS-HUUCEWRRSA-N 2 2 293.411 0.281 20 0 CCADLP O=C([C@H]1CC[N@H+]1C1CCCC1)N1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000636126273 373385103 /nfs/dbraw/zinc/38/51/03/373385103.db2.gz YMIFQZMRUABOHS-HUUCEWRRSA-N 2 2 293.411 0.281 20 0 CCADLP Cc1cc(NCCNC(=O)[C@@H](C)[NH+](C)C)nc(C(C)C)[nH+]1 ZINC000636259585 373499354 /nfs/dbraw/zinc/49/93/54/373499354.db2.gz FEQSNKHELYQLKX-GFCCVEGCSA-N 2 2 293.415 0.809 20 0 CCADLP CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636652423 373693865 /nfs/dbraw/zinc/69/38/65/373693865.db2.gz LCGINRIHEKENHV-VXGBXAGGSA-N 2 2 279.388 0.837 20 0 CCADLP C/C=C/CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000636985938 373855750 /nfs/dbraw/zinc/85/57/50/373855750.db2.gz DSQHDVKESUJNRQ-SNAWJCMRSA-N 2 2 268.405 0.888 20 0 CCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NCC[NH2+]C1CC1 ZINC000637316706 374097507 /nfs/dbraw/zinc/09/75/07/374097507.db2.gz FRJWUYHEYRQVQX-JSGCOSHPSA-N 2 2 296.415 0.243 20 0 CCADLP CCN(C(=O)NC[C@H]1COCC[NH+]1C)[C@H]1CC[N@H+](CC)C1 ZINC000637439805 374150325 /nfs/dbraw/zinc/15/03/25/374150325.db2.gz CQWUCNXDVNUEHE-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP CCN(C(=O)NC[C@H]1COCC[NH+]1C)[C@H]1CC[N@@H+](CC)C1 ZINC000637439805 374150333 /nfs/dbraw/zinc/15/03/33/374150333.db2.gz CQWUCNXDVNUEHE-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP CCN(C(=O)NC[C@H]1COCC[N@@H+]1C)[C@H]1CC[NH+](CC)C1 ZINC000637439805 374150341 /nfs/dbraw/zinc/15/03/41/374150341.db2.gz CQWUCNXDVNUEHE-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP CCN(C(=O)NC[C@H]1COCC[N@H+]1C)[C@H]1CC[NH+](CC)C1 ZINC000637439805 374150346 /nfs/dbraw/zinc/15/03/46/374150346.db2.gz CQWUCNXDVNUEHE-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000637442527 374162309 /nfs/dbraw/zinc/16/23/09/374162309.db2.gz RCXIAWRDQFLFQW-KGLIPLIRSA-N 2 2 298.431 0.441 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@H]2COCC[NH+]2C)C1 ZINC000637442527 374162314 /nfs/dbraw/zinc/16/23/14/374162314.db2.gz RCXIAWRDQFLFQW-KGLIPLIRSA-N 2 2 298.431 0.441 20 0 CCADLP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NC[C@H]2COCC[N@@H+]2C)C1 ZINC000637442527 374162319 /nfs/dbraw/zinc/16/23/19/374162319.db2.gz RCXIAWRDQFLFQW-KGLIPLIRSA-N 2 2 298.431 0.441 20 0 CCADLP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NC[C@H]2COCC[N@H+]2C)C1 ZINC000637442527 374162324 /nfs/dbraw/zinc/16/23/24/374162324.db2.gz RCXIAWRDQFLFQW-KGLIPLIRSA-N 2 2 298.431 0.441 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000637446375 374172354 /nfs/dbraw/zinc/17/23/54/374172354.db2.gz RFTBRASHCUJQNF-ZIAGYGMSSA-N 2 2 296.415 0.197 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000637446375 374172360 /nfs/dbraw/zinc/17/23/60/374172360.db2.gz RFTBRASHCUJQNF-ZIAGYGMSSA-N 2 2 296.415 0.197 20 0 CCADLP C[C@@H](C[NH3+])N(C)C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000637844018 374397857 /nfs/dbraw/zinc/39/78/57/374397857.db2.gz ISWNUAMBFNFBKK-JTQLQIEISA-N 2 2 274.324 0.997 20 0 CCADLP C[N@@H+]1CCN(C(=O)C2CCC=CCC2)[C@@H](C[NH3+])C1 ZINC000637868098 374434704 /nfs/dbraw/zinc/43/47/04/374434704.db2.gz YUXQXFSKSPAQCM-ZDUSSCGKSA-N 2 2 251.374 0.834 20 0 CCADLP C[N@H+]1CCN(C(=O)C2CCC=CCC2)[C@@H](C[NH3+])C1 ZINC000637868098 374434711 /nfs/dbraw/zinc/43/47/11/374434711.db2.gz YUXQXFSKSPAQCM-ZDUSSCGKSA-N 2 2 251.374 0.834 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[NH2+]CC1(C)C)CC2 ZINC000637858157 374416365 /nfs/dbraw/zinc/41/63/65/374416365.db2.gz ZOWMFQSSHUQKPS-LBPRGKRZSA-N 2 2 276.384 0.964 20 0 CCADLP C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000637863265 374423662 /nfs/dbraw/zinc/42/36/62/374423662.db2.gz WSDCLFVFDLBDTQ-OLZOCXBDSA-N 2 2 276.384 0.964 20 0 CCADLP C[C@@H](CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccco1 ZINC000637863848 374425210 /nfs/dbraw/zinc/42/52/10/374425210.db2.gz IGVMFZOIACBITJ-NWDGAFQWSA-N 2 2 265.357 0.875 20 0 CCADLP C[C@@H](CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccco1 ZINC000637863848 374425214 /nfs/dbraw/zinc/42/52/14/374425214.db2.gz IGVMFZOIACBITJ-NWDGAFQWSA-N 2 2 265.357 0.875 20 0 CCADLP CC[NH+](CC)[C@H]1CCN(Cc2c[nH+]c(N)nc2N)C1 ZINC000637892367 374455710 /nfs/dbraw/zinc/45/57/10/374455710.db2.gz QOGUIENXXPWQRF-NSHDSACASA-N 2 2 264.377 0.218 20 0 CCADLP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000638046323 374588258 /nfs/dbraw/zinc/58/82/58/374588258.db2.gz FMMIVRLTDXWXCI-CABCVRRESA-N 2 2 289.379 0.447 20 0 CCADLP C[C@H](CNC(=O)[C@@]1(C[NH3+])CCCOC1)Cn1cc[nH+]c1 ZINC000638075111 374630374 /nfs/dbraw/zinc/63/03/74/374630374.db2.gz CAEOOPHGNFDFJC-TZMCWYRMSA-N 2 2 280.372 0.391 20 0 CCADLP O=C(CN1CC[NH2+]CC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000638075640 374630719 /nfs/dbraw/zinc/63/07/19/374630719.db2.gz GPKKTTQOTNVBLW-GFCCVEGCSA-N 2 2 277.372 0.021 20 0 CCADLP CC[NH2+][C@H](C)C(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000638063288 374609701 /nfs/dbraw/zinc/60/97/01/374609701.db2.gz CKDCAMLYIPFEGJ-GFCCVEGCSA-N 2 2 292.383 0.532 20 0 CCADLP CO[C@@H](C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)[C@H]1CCOC1 ZINC000638090497 374650689 /nfs/dbraw/zinc/65/06/89/374650689.db2.gz XTVVGBLADYRKLY-FQUUOJAGSA-N 2 2 254.374 0.722 20 0 CCADLP CO[C@@H](C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1)[C@H]1CCOC1 ZINC000638090497 374650695 /nfs/dbraw/zinc/65/06/95/374650695.db2.gz XTVVGBLADYRKLY-FQUUOJAGSA-N 2 2 254.374 0.722 20 0 CCADLP COC[C@]1(C(=O)NCCc2[nH]cc[nH+]2)CCCC[NH2+]1 ZINC000638114460 374679874 /nfs/dbraw/zinc/67/98/74/374679874.db2.gz VLCOXCWHNJJRJR-ZDUSSCGKSA-N 2 2 266.345 0.227 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)[nH+]1 ZINC000638209909 374796892 /nfs/dbraw/zinc/79/68/92/374796892.db2.gz FUKKOHXSAPRSSA-GXSJLCMTSA-N 2 2 250.346 0.771 20 0 CCADLP CCc1c[nH]c(CC(=O)N2C[C@@H](F)C[C@H]2C[NH2+]C)[nH+]1 ZINC000638225388 374811941 /nfs/dbraw/zinc/81/19/41/374811941.db2.gz ZNUKDDIUEIGENA-ONGXEEELSA-N 2 2 268.336 0.673 20 0 CCADLP O=C(CCC1C[NH2+]C1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000638289208 374896572 /nfs/dbraw/zinc/89/65/72/374896572.db2.gz FFCOKUMQAAAFGO-ZDUSSCGKSA-N 2 2 274.368 0.776 20 0 CCADLP COc1cccc([C@@H]([NH3+])C(=O)N2CC[NH2+]C[C@@](C)(F)C2)c1 ZINC000638255107 374850479 /nfs/dbraw/zinc/85/04/79/374850479.db2.gz XCCVGXYUAJCFFA-UKRRQHHQSA-N 2 2 295.358 0.855 20 0 CCADLP CC(C)C[C@H](C(=O)NC[C@H]1C[NH2+]CCCO1)n1cc[nH+]c1 ZINC000638263778 374861480 /nfs/dbraw/zinc/86/14/80/374861480.db2.gz CNNVZRYJHJXICK-ZIAGYGMSSA-N 2 2 294.399 0.965 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000638329236 374929212 /nfs/dbraw/zinc/92/92/12/374929212.db2.gz OIVDUTNQOJFVIH-CQSZACIVSA-N 2 2 285.351 0.760 20 0 CCADLP COC[C@@]1(C(=O)N(C)Cc2c[nH+]c[nH]2)CCCC[NH2+]1 ZINC000638402694 374999121 /nfs/dbraw/zinc/99/91/21/374999121.db2.gz OHIQOUKDTKBRBT-CYBMUJFWSA-N 2 2 266.345 0.527 20 0 CCADLP COC[C@@]1(C(=O)N(C)Cc2c[nH]c[nH+]2)CCCC[NH2+]1 ZINC000638402694 374999126 /nfs/dbraw/zinc/99/91/26/374999126.db2.gz OHIQOUKDTKBRBT-CYBMUJFWSA-N 2 2 266.345 0.527 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cccc(F)c2N)CC1 ZINC000638440989 375043477 /nfs/dbraw/zinc/04/34/77/375043477.db2.gz YXDJGGHECARLGV-UHFFFAOYSA-N 2 2 280.347 0.272 20 0 CCADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc(N)nc2N)C1 ZINC000638567095 375142088 /nfs/dbraw/zinc/14/20/88/375142088.db2.gz VJJBEKQUODAQQZ-LLVKDONJSA-N 2 2 278.404 0.512 20 0 CCADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(N)nc2N)C1 ZINC000638567095 375142092 /nfs/dbraw/zinc/14/20/92/375142092.db2.gz VJJBEKQUODAQQZ-LLVKDONJSA-N 2 2 278.404 0.512 20 0 CCADLP C[NH2+]CCOCCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC000638573752 375149845 /nfs/dbraw/zinc/14/98/45/375149845.db2.gz JVORTEDVBZMJHH-CYBMUJFWSA-N 2 2 282.388 0.823 20 0 CCADLP C[C@H](C[NH2+][C@H](C)Cc1cnccn1)C[NH+]1CCOCC1 ZINC000638674744 375278951 /nfs/dbraw/zinc/27/89/51/375278951.db2.gz MNEHWHSAKXXIDX-ZIAGYGMSSA-N 2 2 278.400 0.966 20 0 CCADLP C[C@H](C[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1)C[NH+]1CCOCC1 ZINC000638675032 375279647 /nfs/dbraw/zinc/27/96/47/375279647.db2.gz QQBRREIBRWBJIY-QLFBSQMISA-N 2 2 297.443 0.992 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000638780323 375352926 /nfs/dbraw/zinc/35/29/26/375352926.db2.gz QSMRCSYGOVHLAI-CMPLNLGQSA-N 2 2 258.325 0.743 20 0 CCADLP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c[nH+]c(N)nc1N ZINC000638925854 375461900 /nfs/dbraw/zinc/46/19/00/375461900.db2.gz XNZDLEIIZZPJKC-RYUDHWBXSA-N 2 2 276.388 0.360 20 0 CCADLP CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1c[nH+]c(N)nc1N ZINC000638925854 375461902 /nfs/dbraw/zinc/46/19/02/375461902.db2.gz XNZDLEIIZZPJKC-RYUDHWBXSA-N 2 2 276.388 0.360 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638983756 375497609 /nfs/dbraw/zinc/49/76/09/375497609.db2.gz DQMHKLBYPJUSQP-LBPRGKRZSA-N 3 2 291.399 0.818 20 0 CCADLP Cc1nccnc1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638985496 375497647 /nfs/dbraw/zinc/49/76/47/375497647.db2.gz IFLVISIMPZEVAQ-UHFFFAOYSA-N 2 2 298.350 0.842 20 0 CCADLP C[C@H]([NH3+])CC(=O)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000638988914 375501948 /nfs/dbraw/zinc/50/19/48/375501948.db2.gz LHNPJLAVNIEWCN-NSHDSACASA-N 2 2 294.424 0.988 20 0 CCADLP CC(C)(C[NH+]1CCCC1)NCc1c[nH+]c(N)nc1N ZINC000639241970 375656756 /nfs/dbraw/zinc/65/67/56/375656756.db2.gz KVDNJFQKCUPYGZ-UHFFFAOYSA-N 2 2 264.377 0.266 20 0 CCADLP O=C1C[C@H]([NH2+][C@H]2CCC[N@@H+](CCCO)C2)CCCN1 ZINC000639216922 375638223 /nfs/dbraw/zinc/63/82/23/375638223.db2.gz ADWLDWNWRSTBEO-OLZOCXBDSA-N 2 2 269.389 0.092 20 0 CCADLP O=C1C[C@H]([NH2+][C@H]2CCC[N@H+](CCCO)C2)CCCN1 ZINC000639216922 375638225 /nfs/dbraw/zinc/63/82/25/375638225.db2.gz ADWLDWNWRSTBEO-OLZOCXBDSA-N 2 2 269.389 0.092 20 0 CCADLP C[NH2+]C[C@@H]1CCCN(CC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000574638239 335036066 /nfs/dbraw/zinc/03/60/66/335036066.db2.gz ZKLNTBGLMVJMLG-KBPBESRZSA-N 2 2 255.406 0.639 20 0 CCADLP C[NH2+]C[C@@H]1CCCN(CC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000574638239 335036067 /nfs/dbraw/zinc/03/60/67/335036067.db2.gz ZKLNTBGLMVJMLG-KBPBESRZSA-N 2 2 255.406 0.639 20 0 CCADLP CC(C)(CN1CC[NH+]([C@H]2CCOC2)CC1)[NH+]1CCOCC1 ZINC000639309296 375715499 /nfs/dbraw/zinc/71/54/99/375715499.db2.gz JLKZRRJEAKTEHT-HNNXBMFYSA-N 2 2 297.443 0.504 20 0 CCADLP CC(C)OC[C@@H](O)C[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000568857608 291627722 /nfs/dbraw/zinc/62/77/22/291627722.db2.gz IZOIRKYFWZJRIY-KGLIPLIRSA-N 2 2 274.405 0.330 20 0 CCADLP C[C@H]1OCC[C@@H]1C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000639543435 375828493 /nfs/dbraw/zinc/82/84/93/375828493.db2.gz GOIXMFIWNJVMBM-CHWSQXEVSA-N 2 2 264.373 0.967 20 0 CCADLP COCC[C@H]1COCC[N@@H+]1CCc1c[nH+]cn1C ZINC000639652227 375889221 /nfs/dbraw/zinc/88/92/21/375889221.db2.gz NWRYTBOXOJNCSG-ZDUSSCGKSA-N 2 2 253.346 0.700 20 0 CCADLP COCC[C@H]1COCC[N@H+]1CCc1c[nH+]cn1C ZINC000639652227 375889231 /nfs/dbraw/zinc/88/92/31/375889231.db2.gz NWRYTBOXOJNCSG-ZDUSSCGKSA-N 2 2 253.346 0.700 20 0 CCADLP C[C@@H]1CN(CCc2c[nH+]cn2C)C[C@H](C)[N@@H+]1CCO ZINC000639663604 375895869 /nfs/dbraw/zinc/89/58/69/375895869.db2.gz DUKCSEFWRRNPRI-BETUJISGSA-N 2 2 266.389 0.350 20 0 CCADLP C[N@@H+]1CCN(C[C@@H](O)C[NH+]2CCOCC2)C[C@H]1C(C)(C)C ZINC000639751651 375977597 /nfs/dbraw/zinc/97/75/97/375977597.db2.gz RQDBRYGGNYMXLV-GJZGRUSLSA-N 2 2 299.459 0.342 20 0 CCADLP C[N@H+]1CCN(C[C@@H](O)C[NH+]2CCOCC2)C[C@H]1C(C)(C)C ZINC000639751651 375977604 /nfs/dbraw/zinc/97/76/04/375977604.db2.gz RQDBRYGGNYMXLV-GJZGRUSLSA-N 2 2 299.459 0.342 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000639769671 376002357 /nfs/dbraw/zinc/00/23/57/376002357.db2.gz ZTKJETHVXVTYRQ-ZJUUUORDSA-N 2 2 270.295 0.298 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000639769671 376002366 /nfs/dbraw/zinc/00/23/66/376002366.db2.gz ZTKJETHVXVTYRQ-ZJUUUORDSA-N 2 2 270.295 0.298 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639778055 376005547 /nfs/dbraw/zinc/00/55/47/376005547.db2.gz PGAKKJWDWFGRGF-QWHCGFSZSA-N 2 2 252.362 0.859 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639778055 376005552 /nfs/dbraw/zinc/00/55/52/376005552.db2.gz PGAKKJWDWFGRGF-QWHCGFSZSA-N 2 2 252.362 0.859 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639778055 376005557 /nfs/dbraw/zinc/00/55/57/376005557.db2.gz PGAKKJWDWFGRGF-QWHCGFSZSA-N 2 2 252.362 0.859 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639778055 376005562 /nfs/dbraw/zinc/00/55/62/376005562.db2.gz PGAKKJWDWFGRGF-QWHCGFSZSA-N 2 2 252.362 0.859 20 0 CCADLP Cc1cnn(CC[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000639761793 375989049 /nfs/dbraw/zinc/98/90/49/375989049.db2.gz DYXSTYVZLZXBGZ-CQSZACIVSA-N 2 2 266.389 0.580 20 0 CCADLP Cc1cnn(CC[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000639761793 375989055 /nfs/dbraw/zinc/98/90/55/375989055.db2.gz DYXSTYVZLZXBGZ-CQSZACIVSA-N 2 2 266.389 0.580 20 0 CCADLP Cc1[nH+]ccn1CCCC[N@H+]1CCN(C)C[C@H]1CO ZINC000639870827 376103150 /nfs/dbraw/zinc/10/31/50/376103150.db2.gz HHVHHSRPVVWHPJ-AWEZNQCLSA-N 2 2 266.389 0.580 20 0 CCADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCN(C)C[C@H]1CO ZINC000639870827 376103155 /nfs/dbraw/zinc/10/31/55/376103155.db2.gz HHVHHSRPVVWHPJ-AWEZNQCLSA-N 2 2 266.389 0.580 20 0 CCADLP Cc1[nH+]ccn1CCCCN1CC[N@H+](C)C[C@H]1CO ZINC000639870827 376103168 /nfs/dbraw/zinc/10/31/68/376103168.db2.gz HHVHHSRPVVWHPJ-AWEZNQCLSA-N 2 2 266.389 0.580 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)C[C@H]1CO ZINC000639938509 376138055 /nfs/dbraw/zinc/13/80/55/376138055.db2.gz ZHPRGGPZJYNVHJ-RDBSUJKOSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](C)C[C@H]1CO ZINC000639938509 376138058 /nfs/dbraw/zinc/13/80/58/376138058.db2.gz ZHPRGGPZJYNVHJ-RDBSUJKOSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](C)C[C@H]1CO ZINC000639938509 376138065 /nfs/dbraw/zinc/13/80/65/376138065.db2.gz ZHPRGGPZJYNVHJ-RDBSUJKOSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](C)C[C@H]1CO ZINC000639938509 376138070 /nfs/dbraw/zinc/13/80/70/376138070.db2.gz ZHPRGGPZJYNVHJ-RDBSUJKOSA-N 2 2 274.405 0.018 20 0 CCADLP Cc1cccc(CC[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)n1 ZINC000640051241 376215445 /nfs/dbraw/zinc/21/54/45/376215445.db2.gz MDRANSRLNIKQGB-UHFFFAOYSA-N 2 2 290.411 0.638 20 0 CCADLP Cc1cccc(CC[N@H+](C)CC(=O)N2CC[NH+](C)CC2)n1 ZINC000640051241 376215452 /nfs/dbraw/zinc/21/54/52/376215452.db2.gz MDRANSRLNIKQGB-UHFFFAOYSA-N 2 2 290.411 0.638 20 0 CCADLP CCOCCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640057797 376220511 /nfs/dbraw/zinc/22/05/11/376220511.db2.gz CTXRWPAQSAUJOB-UHFFFAOYSA-N 2 2 257.378 0.119 20 0 CCADLP CCOCCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640057797 376220517 /nfs/dbraw/zinc/22/05/17/376220517.db2.gz CTXRWPAQSAUJOB-UHFFFAOYSA-N 2 2 257.378 0.119 20 0 CCADLP C[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C(C)(C)C ZINC000640629194 376476117 /nfs/dbraw/zinc/47/61/17/376476117.db2.gz UDOUMFBDCYACHM-OLZOCXBDSA-N 2 2 283.416 0.506 20 0 CCADLP C[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C(C)(C)C ZINC000640629194 376476129 /nfs/dbraw/zinc/47/61/29/376476129.db2.gz UDOUMFBDCYACHM-OLZOCXBDSA-N 2 2 283.416 0.506 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](C)[C@H](C(C)(C)C)C2)C1 ZINC000640629194 376476144 /nfs/dbraw/zinc/47/61/44/376476144.db2.gz UDOUMFBDCYACHM-OLZOCXBDSA-N 2 2 283.416 0.506 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)C1 ZINC000640629194 376476155 /nfs/dbraw/zinc/47/61/55/376476155.db2.gz UDOUMFBDCYACHM-OLZOCXBDSA-N 2 2 283.416 0.506 20 0 CCADLP Nc1cc(Cn2cc(CC[NH+]3CCOCC3)nn2)cc[nH+]1 ZINC000641067980 376734024 /nfs/dbraw/zinc/73/40/24/376734024.db2.gz GFPCMMUZBSZQSD-UHFFFAOYSA-N 2 2 288.355 0.009 20 0 CCADLP [NH3+][C@@H](CO)Cc1cn(Cc2[nH+]ccn2-c2ccccc2)nn1 ZINC000641129007 376800371 /nfs/dbraw/zinc/80/03/71/376800371.db2.gz AGBWUCOMRIIIRJ-GFCCVEGCSA-N 2 2 298.350 0.374 20 0 CCADLP COc1cc[nH+]cc1Cn1cc([C@@H]([NH3+])[C@H]2CCCO2)nn1 ZINC000641168314 376836764 /nfs/dbraw/zinc/83/67/64/376836764.db2.gz GJZIAULNJXCYCH-ZIAGYGMSSA-N 2 2 289.339 0.909 20 0 CCADLP CC[NH2+]Cc1cn(Cc2ccc(N(C)C)[nH+]c2)nn1 ZINC000641178521 376851093 /nfs/dbraw/zinc/85/10/93/376851093.db2.gz WPSBXXHEIVODSZ-UHFFFAOYSA-N 2 2 260.345 0.897 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)CC2 ZINC000641227310 376923640 /nfs/dbraw/zinc/92/36/40/376923640.db2.gz QYEXQDWPUVQSDO-VXGBXAGGSA-N 2 2 277.372 0.987 20 0 CCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NC[C@H](C)[NH3+])CC1 ZINC000641414327 377089985 /nfs/dbraw/zinc/08/99/85/377089985.db2.gz XUIYFKMHPGCPHX-QWHCGFSZSA-N 2 2 291.399 0.817 20 0 CCADLP Nc1cnccc1C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000641758163 377444285 /nfs/dbraw/zinc/44/42/85/377444285.db2.gz IITZORWEWJBOBE-CYBMUJFWSA-N 2 2 264.373 0.600 20 0 CCADLP Nc1cnccc1C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000641758163 377444290 /nfs/dbraw/zinc/44/42/90/377444290.db2.gz IITZORWEWJBOBE-CYBMUJFWSA-N 2 2 264.373 0.600 20 0 CCADLP CSc1ccc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)o1 ZINC000641715496 377415142 /nfs/dbraw/zinc/41/51/42/377415142.db2.gz WCKYFOXPUVMHTC-UHFFFAOYSA-N 2 2 283.397 0.865 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1ccnn1C ZINC000641772791 377456013 /nfs/dbraw/zinc/45/60/13/377456013.db2.gz SLCMYFOLPNWNKM-LBPRGKRZSA-N 2 2 254.378 0.603 20 0 CCADLP CCc1cc(=O)[nH]c(C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)n1 ZINC000641802393 377474365 /nfs/dbraw/zinc/47/43/65/377474365.db2.gz KKHPSBLCFSDKQA-UWVGGRQHSA-N 2 2 250.346 0.960 20 0 CCADLP COC(=O)CN1CCC([NH2+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000428403451 249017752 /nfs/dbraw/zinc/01/77/52/249017752.db2.gz OYGKONQBCJVAHZ-ZDUSSCGKSA-N 2 2 292.383 0.425 20 0 CCADLP Cc1ncc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)s1 ZINC000514949499 249114635 /nfs/dbraw/zinc/11/46/35/249114635.db2.gz GOHBXCRDBQRDRB-GXSJLCMTSA-N 2 2 266.370 0.195 20 0 CCADLP Cc1ncc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)s1 ZINC000514949499 249114638 /nfs/dbraw/zinc/11/46/38/249114638.db2.gz GOHBXCRDBQRDRB-GXSJLCMTSA-N 2 2 266.370 0.195 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000514612681 249094799 /nfs/dbraw/zinc/09/47/99/249094799.db2.gz VNSBUSUEJSGFOM-LSDHHAIUSA-N 2 2 297.443 0.633 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000514612681 249094803 /nfs/dbraw/zinc/09/48/03/249094803.db2.gz VNSBUSUEJSGFOM-LSDHHAIUSA-N 2 2 297.443 0.633 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000514612681 249094805 /nfs/dbraw/zinc/09/48/05/249094805.db2.gz VNSBUSUEJSGFOM-LSDHHAIUSA-N 2 2 297.443 0.633 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000514612681 249094807 /nfs/dbraw/zinc/09/48/07/249094807.db2.gz VNSBUSUEJSGFOM-LSDHHAIUSA-N 2 2 297.443 0.633 20 0 CCADLP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1nc[nH+]c2c1OCCN2 ZINC000642302676 377555980 /nfs/dbraw/zinc/55/59/80/377555980.db2.gz RMLAYPVOKSPADB-QWRGUYRKSA-N 2 2 293.371 0.172 20 0 CCADLP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1c1nc[nH+]c2c1OCCN2 ZINC000642302676 377555983 /nfs/dbraw/zinc/55/59/83/377555983.db2.gz RMLAYPVOKSPADB-QWRGUYRKSA-N 2 2 293.371 0.172 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000516334221 249162102 /nfs/dbraw/zinc/16/21/02/249162102.db2.gz BPCBJJJYUYXHJI-ZIAGYGMSSA-N 2 2 282.432 0.175 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000516334221 249162105 /nfs/dbraw/zinc/16/21/05/249162105.db2.gz BPCBJJJYUYXHJI-ZIAGYGMSSA-N 2 2 282.432 0.175 20 0 CCADLP OCCNc1[nH+]c2ccccc2n1CC[C@@H]1CC[NH2+]C1 ZINC000516453051 249164080 /nfs/dbraw/zinc/16/40/80/249164080.db2.gz JDTGFDYBGHRLKR-LBPRGKRZSA-N 2 2 274.368 0.862 20 0 CCADLP C[C@H](C(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C)[NH+]1CC(C)C1 ZINC000516660855 249175563 /nfs/dbraw/zinc/17/55/63/249175563.db2.gz DJKWXLQPJLRTKX-JHJVBQTASA-N 2 2 253.390 0.878 20 0 CCADLP C[C@H](C(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C)[NH+]1CC(C)C1 ZINC000516660855 249175566 /nfs/dbraw/zinc/17/55/66/249175566.db2.gz DJKWXLQPJLRTKX-JHJVBQTASA-N 2 2 253.390 0.878 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]CCN1CCOCC1(C)C)C1CC1 ZINC000517024842 249198362 /nfs/dbraw/zinc/19/83/62/249198362.db2.gz HZACLIGDMNSIBH-AWEZNQCLSA-N 2 2 285.432 0.142 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]CCN1CCOCC1(C)C)C1CC1 ZINC000517024842 249198364 /nfs/dbraw/zinc/19/83/64/249198364.db2.gz HZACLIGDMNSIBH-AWEZNQCLSA-N 2 2 285.432 0.142 20 0 CCADLP COC(=O)C[C@H]([NH3+])C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000517029146 249199575 /nfs/dbraw/zinc/19/95/75/249199575.db2.gz WZPQGODEABRBIC-NSHDSACASA-N 2 2 290.323 0.149 20 0 CCADLP C[C@H](C(=O)N1CCC([C@H](C)[NH3+])CC1)[NH+]1CCN(C)CC1 ZINC000517935910 249235749 /nfs/dbraw/zinc/23/57/49/249235749.db2.gz HKDXYQYHBUGKBE-QWHCGFSZSA-N 2 2 282.432 0.208 20 0 CCADLP Cc1cnc([C@H](C)[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)s1 ZINC000517435259 249220062 /nfs/dbraw/zinc/22/00/62/249220062.db2.gz AAIISUAWIGGJIN-QWHCGFSZSA-N 2 2 298.456 0.710 20 0 CCADLP CC1CC[NH+](CCNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000517537913 249221303 /nfs/dbraw/zinc/22/13/03/249221303.db2.gz OQUDYWDSLMGNCW-AWEZNQCLSA-N 3 2 297.447 0.003 20 0 CCADLP O=C(NCCc1cn2ccccc2[nH+]1)[C@]12C[C@H]1CC[NH2+]2 ZINC000517571420 249223644 /nfs/dbraw/zinc/22/36/44/249223644.db2.gz RKYSXORZFMRDGE-ABAIWWIYSA-N 2 2 270.336 0.745 20 0 CCADLP CC[C@H](C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)OC ZINC000642698820 377608643 /nfs/dbraw/zinc/60/86/43/377608643.db2.gz TUMDGUCISBADAE-ZIAGYGMSSA-N 2 2 283.416 0.826 20 0 CCADLP CC[C@H](C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1)OC ZINC000642698820 377608648 /nfs/dbraw/zinc/60/86/48/377608648.db2.gz TUMDGUCISBADAE-ZIAGYGMSSA-N 2 2 283.416 0.826 20 0 CCADLP [NH3+][C@@H]1CCC[C@H](Nc2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000643030175 377696324 /nfs/dbraw/zinc/69/63/24/377696324.db2.gz DZKUYPSMUTVSQB-NEPJUHHUSA-N 2 2 277.372 0.995 20 0 CCADLP [NH3+][C@@H]1CCC[C@H](Nc2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000643030175 377696336 /nfs/dbraw/zinc/69/63/36/377696336.db2.gz DZKUYPSMUTVSQB-NEPJUHHUSA-N 2 2 277.372 0.995 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)CCCF ZINC000657090608 412885244 /nfs/dbraw/zinc/88/52/44/412885244.db2.gz DTBRJLQDFMOJGQ-UHFFFAOYSA-N 2 2 283.413 0.149 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)CCCF ZINC000657090608 412885245 /nfs/dbraw/zinc/88/52/45/412885245.db2.gz DTBRJLQDFMOJGQ-UHFFFAOYSA-N 2 2 283.413 0.149 20 0 CCADLP NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000331311275 295283353 /nfs/dbraw/zinc/28/33/53/295283353.db2.gz ZLVFUORPDSHYEJ-ZDUSSCGKSA-N 2 2 289.445 0.615 20 0 CCADLP NS(=O)(=O)C[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000331311275 295283356 /nfs/dbraw/zinc/28/33/56/295283356.db2.gz ZLVFUORPDSHYEJ-ZDUSSCGKSA-N 2 2 289.445 0.615 20 0 CCADLP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CC[NH3+])CC1 ZINC000569694486 291700460 /nfs/dbraw/zinc/70/04/60/291700460.db2.gz WANKNAKMGSWCBU-UHFFFAOYSA-N 3 2 284.448 0.505 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)CCc1[nH]cc[nH+]1 ZINC000279136881 194299970 /nfs/dbraw/zinc/29/99/70/194299970.db2.gz FPVRTGREZQQQIV-NSHDSACASA-N 2 2 266.345 0.179 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000279157351 194309783 /nfs/dbraw/zinc/30/97/83/194309783.db2.gz HVLNCXPJTDEIJF-LLVKDONJSA-N 2 2 250.346 0.943 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)CCc1[nH]cc[nH+]1 ZINC000279157351 194309784 /nfs/dbraw/zinc/30/97/84/194309784.db2.gz HVLNCXPJTDEIJF-LLVKDONJSA-N 2 2 250.346 0.943 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H]1CCCNC1=O ZINC000657284165 412950477 /nfs/dbraw/zinc/95/04/77/412950477.db2.gz QVZAXROHDPUXOQ-NTZNESFSSA-N 2 2 251.374 0.585 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H]1CCCNC1=O ZINC000657284165 412950486 /nfs/dbraw/zinc/95/04/86/412950486.db2.gz QVZAXROHDPUXOQ-NTZNESFSSA-N 2 2 251.374 0.585 20 0 CCADLP CCS(=O)(=O)NCC[NH2+]CCCc1c[nH+]ccc1C ZINC000289314940 197293526 /nfs/dbraw/zinc/29/35/26/197293526.db2.gz SLHFLFAYRMUXIR-UHFFFAOYSA-N 2 2 285.413 0.852 20 0 CCADLP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1nnnn1CC1CC1 ZINC000571073280 291789394 /nfs/dbraw/zinc/78/93/94/291789394.db2.gz ORBALNOHBYOSFP-NEPJUHHUSA-N 2 2 264.377 0.690 20 0 CCADLP O=C(N[C@H]1CCC[NH2+]C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000334944074 207333148 /nfs/dbraw/zinc/33/31/48/207333148.db2.gz LNANVUKYUACPRV-ZDUSSCGKSA-N 2 2 292.383 0.859 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CCC(=O)NCc2cccnc2)n1C ZINC000657332638 412961176 /nfs/dbraw/zinc/96/11/76/412961176.db2.gz MRISSPAKLCLSDL-UHFFFAOYSA-N 2 2 287.367 0.920 20 0 CCADLP CCCn1nccc1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000657334090 412961682 /nfs/dbraw/zinc/96/16/82/412961682.db2.gz LTAVTDWYUJIJKP-UHFFFAOYSA-N 2 2 279.388 0.157 20 0 CCADLP Cc1c[nH]c(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC000657349908 412963759 /nfs/dbraw/zinc/96/37/59/412963759.db2.gz OKLFYDCZPKXXCZ-LBPRGKRZSA-N 2 2 279.388 0.395 20 0 CCADLP Cc1c[nH]c(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC000657349908 412963762 /nfs/dbraw/zinc/96/37/62/412963762.db2.gz OKLFYDCZPKXXCZ-LBPRGKRZSA-N 2 2 279.388 0.395 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000418716869 532990990 /nfs/dbraw/zinc/99/09/90/532990990.db2.gz ZXYKWCITXPDIKR-NEPJUHHUSA-N 2 2 277.372 0.649 20 0 CCADLP CCOCCNC(=O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000247045832 285040968 /nfs/dbraw/zinc/04/09/68/285040968.db2.gz VABXIQAYIPQGOZ-KBPBESRZSA-N 2 2 285.432 0.801 20 0 CCADLP CCOCCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000247045832 285040975 /nfs/dbraw/zinc/04/09/75/285040975.db2.gz VABXIQAYIPQGOZ-KBPBESRZSA-N 2 2 285.432 0.801 20 0 CCADLP CCOCCNC(=O)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000247045832 285040979 /nfs/dbraw/zinc/04/09/79/285040979.db2.gz VABXIQAYIPQGOZ-KBPBESRZSA-N 2 2 285.432 0.801 20 0 CCADLP CCOCCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000247045832 285040984 /nfs/dbraw/zinc/04/09/84/285040984.db2.gz VABXIQAYIPQGOZ-KBPBESRZSA-N 2 2 285.432 0.801 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000335258914 208043649 /nfs/dbraw/zinc/04/36/49/208043649.db2.gz PMJJDEFEODBXAW-LBPRGKRZSA-N 2 2 294.424 0.937 20 0 CCADLP Cc1c[nH]c(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)n1 ZINC000657363189 412975524 /nfs/dbraw/zinc/97/55/24/412975524.db2.gz MHOGGWUXDCMGBZ-CQSZACIVSA-N 2 2 293.415 0.214 20 0 CCADLP C[NH+](C)C[C@@](C)(O)CNCc1c[nH+]c2n1CCC2 ZINC000657414875 412985145 /nfs/dbraw/zinc/98/51/45/412985145.db2.gz FGBSAVVDAICOBD-ZDUSSCGKSA-N 2 2 252.362 0.232 20 0 CCADLP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657420790 412985792 /nfs/dbraw/zinc/98/57/92/412985792.db2.gz ABCJVXLRVZDSFC-VXGBXAGGSA-N 2 2 262.357 0.834 20 0 CCADLP COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000574809192 335049042 /nfs/dbraw/zinc/04/90/42/335049042.db2.gz QENWPZXVUVSGFB-JHJVBQTASA-N 2 2 297.399 0.067 20 0 CCADLP COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000574809192 335049043 /nfs/dbraw/zinc/04/90/43/335049043.db2.gz QENWPZXVUVSGFB-JHJVBQTASA-N 2 2 297.399 0.067 20 0 CCADLP O=C1NCC[C@H]1[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000178308088 296377252 /nfs/dbraw/zinc/37/72/52/296377252.db2.gz VRKWEXDDUWOVKA-CHWSQXEVSA-N 2 2 251.374 0.825 20 0 CCADLP O=C1NCC[C@H]1[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000178308088 296377251 /nfs/dbraw/zinc/37/72/51/296377251.db2.gz VRKWEXDDUWOVKA-CHWSQXEVSA-N 2 2 251.374 0.825 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000418224133 533078685 /nfs/dbraw/zinc/07/86/85/533078685.db2.gz ZJPNFYZIKSYTHT-WDEREUQCSA-N 2 2 278.356 0.982 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCOC[C@H]1CC(C)C ZINC000574819445 335050241 /nfs/dbraw/zinc/05/02/41/335050241.db2.gz DKSZGVACFALXQG-HUUCEWRRSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCOC[C@H]1CC(C)C ZINC000574819445 335050242 /nfs/dbraw/zinc/05/02/42/335050242.db2.gz DKSZGVACFALXQG-HUUCEWRRSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCOC[C@H]1CC(C)C ZINC000574819445 335050244 /nfs/dbraw/zinc/05/02/44/335050244.db2.gz DKSZGVACFALXQG-HUUCEWRRSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCOC[C@H]1CC(C)C ZINC000574819445 335050246 /nfs/dbraw/zinc/05/02/46/335050246.db2.gz DKSZGVACFALXQG-HUUCEWRRSA-N 2 2 288.432 0.672 20 0 CCADLP C[C@@H](c1nccc(N)n1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000574819321 335050163 /nfs/dbraw/zinc/05/01/63/335050163.db2.gz BLGJPZUOKRTACZ-ZDUSSCGKSA-N 2 2 294.447 0.765 20 0 CCADLP C[C@@H](c1nccc(N)n1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000574819321 335050164 /nfs/dbraw/zinc/05/01/64/335050164.db2.gz BLGJPZUOKRTACZ-ZDUSSCGKSA-N 2 2 294.447 0.765 20 0 CCADLP COc1ccc(OC)c(C[NH2+]C[C@@H]2C[NH2+]CCO2)c1 ZINC000258944930 285153651 /nfs/dbraw/zinc/15/36/51/285153651.db2.gz QBVZJQQWHKKGCC-ZDUSSCGKSA-N 2 2 266.341 0.782 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CC2([S@](C)=O)CCC2)n1C ZINC000393707759 285211647 /nfs/dbraw/zinc/21/16/47/285211647.db2.gz SYHFIOQOHYTFKB-IBGZPJMESA-N 2 2 284.429 0.877 20 0 CCADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC000288086682 197001549 /nfs/dbraw/zinc/00/15/49/197001549.db2.gz WFDYEHXVDHHCMA-LBPRGKRZSA-N 2 2 282.388 0.815 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H](CO)C2CCC2)n1C ZINC000657558630 413024980 /nfs/dbraw/zinc/02/49/80/413024980.db2.gz FDZWAOCTUXNMOV-LBPRGKRZSA-N 2 2 252.362 0.737 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(CCO)CC2)CC1 ZINC000521657749 285285992 /nfs/dbraw/zinc/28/59/92/285285992.db2.gz ZOBOKRFWVYCFDC-CQSZACIVSA-N 2 2 297.443 0.633 20 0 CCADLP CN(C)C(=O)C[NH+]1CCC([NH2+]Cc2ccccn2)CC1 ZINC000037213504 388845063 /nfs/dbraw/zinc/84/50/63/388845063.db2.gz VEOZBIRVOLGCHV-UHFFFAOYSA-N 2 2 276.384 0.724 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000040805184 388855169 /nfs/dbraw/zinc/85/51/69/388855169.db2.gz BWUBZORCTYLAQN-NWDGAFQWSA-N 2 2 271.405 0.587 20 0 CCADLP CC(C)(CNC(=O)[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000040805150 388855656 /nfs/dbraw/zinc/85/56/56/388855656.db2.gz SXEDMJZUQKTVFA-GFCCVEGCSA-N 2 2 269.389 0.213 20 0 CCADLP CC(C)[C@@H](CNC(=O)C(C)(C)[NH3+])[NH+]1CCN(C)CC1 ZINC000040924977 388859444 /nfs/dbraw/zinc/85/94/44/388859444.db2.gz OLZUIZLJDHXCEL-GFCCVEGCSA-N 2 2 270.421 0.112 20 0 CCADLP C[C@@H]1CC[N@H+](CCN2CCNC2=O)C[C@H]1n1cc[nH+]c1 ZINC000289769790 388889652 /nfs/dbraw/zinc/88/96/52/388889652.db2.gz ILDSBBGVVGEYRS-CHWSQXEVSA-N 2 2 277.372 0.791 20 0 CCADLP C[C@@H]1CC[N@@H+](CCN2CCNC2=O)C[C@H]1n1cc[nH+]c1 ZINC000289769790 388889656 /nfs/dbraw/zinc/88/96/56/388889656.db2.gz ILDSBBGVVGEYRS-CHWSQXEVSA-N 2 2 277.372 0.791 20 0 CCADLP C[C@H]1CC[C@](CO)([N@H+](C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000187982624 388906877 /nfs/dbraw/zinc/90/68/77/388906877.db2.gz DXGREMTXZBVMFD-ZFWWWQNUSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@H]1CC[C@](CO)([N@@H+](C)CC(=O)N2CC[NH+](C)CC2)C1 ZINC000187982624 388906880 /nfs/dbraw/zinc/90/68/80/388906880.db2.gz DXGREMTXZBVMFD-ZFWWWQNUSA-N 2 2 283.416 0.243 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976544 388940507 /nfs/dbraw/zinc/94/05/07/388940507.db2.gz RWMSTZLOUDUBLZ-STQMWFEESA-N 2 2 269.389 0.150 20 0 CCADLP C[C@H](NC(=O)NCc1c[nH+]cn1C)C1=CC[N@H+](C)CC1 ZINC000292398805 388949919 /nfs/dbraw/zinc/94/99/19/388949919.db2.gz MSYUEISHRBAXEA-NSHDSACASA-N 2 2 277.372 0.870 20 0 CCADLP C[C@H](NC(=O)NCc1c[nH+]cn1C)C1=CC[N@@H+](C)CC1 ZINC000292398805 388949923 /nfs/dbraw/zinc/94/99/23/388949923.db2.gz MSYUEISHRBAXEA-NSHDSACASA-N 2 2 277.372 0.870 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000073652566 388978572 /nfs/dbraw/zinc/97/85/72/388978572.db2.gz IPWYIYPXXPLECZ-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000073652566 388978573 /nfs/dbraw/zinc/97/85/73/388978573.db2.gz IPWYIYPXXPLECZ-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@H](CO)OC(C)(C)C1 ZINC000336783468 389018443 /nfs/dbraw/zinc/01/84/43/389018443.db2.gz STAMLZNNRAAMBZ-CHWSQXEVSA-N 2 2 256.390 0.942 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H](CO)OC(C)(C)C1 ZINC000336783468 389018448 /nfs/dbraw/zinc/01/84/48/389018448.db2.gz STAMLZNNRAAMBZ-CHWSQXEVSA-N 2 2 256.390 0.942 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000336783468 389018452 /nfs/dbraw/zinc/01/84/52/389018452.db2.gz STAMLZNNRAAMBZ-CHWSQXEVSA-N 2 2 256.390 0.942 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000336783468 389018455 /nfs/dbraw/zinc/01/84/55/389018455.db2.gz STAMLZNNRAAMBZ-CHWSQXEVSA-N 2 2 256.390 0.942 20 0 CCADLP CC[C@@H]1CCCCN1C(=O)C[N@H+](C)C[C@H](O)C[NH3+] ZINC000336794261 389019136 /nfs/dbraw/zinc/01/91/36/389019136.db2.gz ARKCHJYRYJFIQT-VXGBXAGGSA-N 2 2 257.378 0.029 20 0 CCADLP CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000336794261 389019140 /nfs/dbraw/zinc/01/91/40/389019140.db2.gz ARKCHJYRYJFIQT-VXGBXAGGSA-N 2 2 257.378 0.029 20 0 CCADLP C[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)C[C@H](O)C[NH3+] ZINC000336837407 389026082 /nfs/dbraw/zinc/02/60/82/389026082.db2.gz ZARQDGGJIGSNKB-MJBXVCDLSA-N 2 2 283.416 0.419 20 0 CCADLP C[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)C[C@H](O)C[NH3+] ZINC000336837407 389026085 /nfs/dbraw/zinc/02/60/85/389026085.db2.gz ZARQDGGJIGSNKB-MJBXVCDLSA-N 2 2 283.416 0.419 20 0 CCADLP C[C@@H]1COCC[C@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000192624405 389046674 /nfs/dbraw/zinc/04/66/74/389046674.db2.gz YVQGRLJCMVBFQA-UKRRQHHQSA-N 2 2 297.443 0.801 20 0 CCADLP C[C@@H](C(=O)NCC[N@H+]1CC=CCC1)[NH+]1CCSCC1 ZINC000355388622 389070490 /nfs/dbraw/zinc/07/04/90/389070490.db2.gz BPWHVHADJGBWKM-ZDUSSCGKSA-N 2 2 283.441 0.802 20 0 CCADLP C[C@@H](C(=O)NCC[N@@H+]1CC=CCC1)[NH+]1CCSCC1 ZINC000355388622 389070494 /nfs/dbraw/zinc/07/04/94/389070494.db2.gz BPWHVHADJGBWKM-ZDUSSCGKSA-N 2 2 283.441 0.802 20 0 CCADLP [NH3+]C1(C(=O)NCCCCNc2cccc[nH+]2)CCOCC1 ZINC000338154202 389080522 /nfs/dbraw/zinc/08/05/22/389080522.db2.gz PNRAHVKUYJJYSA-UHFFFAOYSA-N 2 2 292.383 0.898 20 0 CCADLP C[C@@H]1CC[N@H+](CC2(CO)COC2)C[C@@H]1n1cc[nH+]c1 ZINC000305616346 389086190 /nfs/dbraw/zinc/08/61/90/389086190.db2.gz DDKQPAZLNYWLOF-OLZOCXBDSA-N 2 2 265.357 0.775 20 0 CCADLP C[C@@H]1CC[N@@H+](CC2(CO)COC2)C[C@@H]1n1cc[nH+]c1 ZINC000305616346 389086192 /nfs/dbraw/zinc/08/61/92/389086192.db2.gz DDKQPAZLNYWLOF-OLZOCXBDSA-N 2 2 265.357 0.775 20 0 CCADLP CC1=CC[N@H+](CCNC(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000338183291 389086238 /nfs/dbraw/zinc/08/62/38/389086238.db2.gz BNMNHKKYRCTIMD-UHFFFAOYSA-N 2 2 295.427 0.865 20 0 CCADLP CC1=CC[N@@H+](CCNC(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000338183291 389086239 /nfs/dbraw/zinc/08/62/39/389086239.db2.gz BNMNHKKYRCTIMD-UHFFFAOYSA-N 2 2 295.427 0.865 20 0 CCADLP CC(C)C[C@@H](C[NH2+][C@H]1CC[NH2+]C1)N1CCOCC1 ZINC000094075147 389039087 /nfs/dbraw/zinc/03/90/87/389039087.db2.gz XHIMOUFVBFGASN-KBPBESRZSA-N 2 2 255.406 0.685 20 0 CCADLP CCOC(=O)C[N@H+](CCC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000338231842 389095784 /nfs/dbraw/zinc/09/57/84/389095784.db2.gz ARPCBTWFYHCCDF-UHFFFAOYSA-N 2 2 299.415 0.424 20 0 CCADLP CCOC(=O)C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000338231842 389095787 /nfs/dbraw/zinc/09/57/87/389095787.db2.gz ARPCBTWFYHCCDF-UHFFFAOYSA-N 2 2 299.415 0.424 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCOC[C@@H](C)C2)CC1 ZINC000338249893 389097575 /nfs/dbraw/zinc/09/75/75/389097575.db2.gz GSLPGFTYHYPNFU-KBPBESRZSA-N 2 2 283.416 0.507 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCOC[C@@H](C)C2)CC1 ZINC000338249893 389097577 /nfs/dbraw/zinc/09/75/77/389097577.db2.gz GSLPGFTYHYPNFU-KBPBESRZSA-N 2 2 283.416 0.507 20 0 CCADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)Nc3nccs3)C[C@@H]12 ZINC000311214413 389102106 /nfs/dbraw/zinc/10/21/06/389102106.db2.gz MLWKIIKGBQCHSN-IVZWLZJFSA-N 2 2 266.370 0.751 20 0 CCADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)Nc3nccs3)C[C@@H]12 ZINC000311214413 389102109 /nfs/dbraw/zinc/10/21/09/389102109.db2.gz MLWKIIKGBQCHSN-IVZWLZJFSA-N 2 2 266.370 0.751 20 0 CCADLP C[C@@H]1[C@H](C)N(C)CC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338287301 389106432 /nfs/dbraw/zinc/10/64/32/389106432.db2.gz ZVYLMBSQQPNOES-UONOGXRCSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@@H]1[C@H](C)N(C)CC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338287301 389106434 /nfs/dbraw/zinc/10/64/34/389106434.db2.gz ZVYLMBSQQPNOES-UONOGXRCSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@@H]1[C@H](C)[N@H+](C)CCN1CCC(=O)N1CC[NH+](C)CC1 ZINC000338287301 389106437 /nfs/dbraw/zinc/10/64/37/389106437.db2.gz ZVYLMBSQQPNOES-UONOGXRCSA-N 2 2 282.432 0.175 20 0 CCADLP C[C@@H]1[C@H](C)[N@@H+](C)CCN1CCC(=O)N1CC[NH+](C)CC1 ZINC000338287301 389106439 /nfs/dbraw/zinc/10/64/39/389106439.db2.gz ZVYLMBSQQPNOES-UONOGXRCSA-N 2 2 282.432 0.175 20 0 CCADLP O=C(C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)N1CCCC1 ZINC000112210483 389120011 /nfs/dbraw/zinc/12/00/11/389120011.db2.gz SDXVMTYHOFJQSS-OAHLLOKOSA-N 2 2 295.427 0.653 20 0 CCADLP O=C(C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1)N1CCCC1 ZINC000112210483 389120014 /nfs/dbraw/zinc/12/00/14/389120014.db2.gz SDXVMTYHOFJQSS-OAHLLOKOSA-N 2 2 295.427 0.653 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H]2CCCS2(=O)=O)n1C ZINC000212561082 389131647 /nfs/dbraw/zinc/13/16/47/389131647.db2.gz NMFDCMDPKCQCDW-LLVKDONJSA-N 2 2 286.401 0.153 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](S(N)(=O)=O)C1 ZINC000357359409 389134467 /nfs/dbraw/zinc/13/44/67/389134467.db2.gz BSZOJDAIRKVMDM-RYUDHWBXSA-N 2 2 275.418 0.224 20 0 CCADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](S(N)(=O)=O)C1 ZINC000357359409 389134471 /nfs/dbraw/zinc/13/44/71/389134471.db2.gz BSZOJDAIRKVMDM-RYUDHWBXSA-N 2 2 275.418 0.224 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000357359409 389134473 /nfs/dbraw/zinc/13/44/73/389134473.db2.gz BSZOJDAIRKVMDM-RYUDHWBXSA-N 2 2 275.418 0.224 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000357359409 389134476 /nfs/dbraw/zinc/13/44/76/389134476.db2.gz BSZOJDAIRKVMDM-RYUDHWBXSA-N 2 2 275.418 0.224 20 0 CCADLP CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCC[N@H+](C)C1 ZINC000118960541 389138558 /nfs/dbraw/zinc/13/85/58/389138558.db2.gz ZOYCDQQIVIMKOG-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CCC[N@@H+](C)C1 ZINC000118960541 389138561 /nfs/dbraw/zinc/13/85/61/389138561.db2.gz ZOYCDQQIVIMKOG-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCC[N@H+](C)C1 ZINC000118960421 389138593 /nfs/dbraw/zinc/13/85/93/389138593.db2.gz ZOYCDQQIVIMKOG-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CCC[N@@H+](C)C1 ZINC000118960421 389138596 /nfs/dbraw/zinc/13/85/96/389138596.db2.gz ZOYCDQQIVIMKOG-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@]2(C1)NC(=O)NC2=O)C1CC1 ZINC000329728817 389193626 /nfs/dbraw/zinc/19/36/26/389193626.db2.gz CTFLTJGMMIPTBE-SMDDNHRTSA-N 2 2 296.371 0.160 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@]2(C1)NC(=O)NC2=O)C1CC1 ZINC000329728817 389193629 /nfs/dbraw/zinc/19/36/29/389193629.db2.gz CTFLTJGMMIPTBE-SMDDNHRTSA-N 2 2 296.371 0.160 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O)C1CC1 ZINC000329728817 389193631 /nfs/dbraw/zinc/19/36/31/389193631.db2.gz CTFLTJGMMIPTBE-SMDDNHRTSA-N 2 2 296.371 0.160 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O)C1CC1 ZINC000329728817 389193634 /nfs/dbraw/zinc/19/36/34/389193634.db2.gz CTFLTJGMMIPTBE-SMDDNHRTSA-N 2 2 296.371 0.160 20 0 CCADLP CN(C(=O)c1cc(C[NH+](C)C)on1)[C@@H]1CCC[N@H+](C)C1 ZINC000359437364 389173939 /nfs/dbraw/zinc/17/39/39/389173939.db2.gz KGGNMLQBORPFCP-LLVKDONJSA-N 2 2 280.372 0.902 20 0 CCADLP CN(C(=O)c1cc(C[NH+](C)C)on1)[C@@H]1CCC[N@@H+](C)C1 ZINC000359437364 389173942 /nfs/dbraw/zinc/17/39/42/389173942.db2.gz KGGNMLQBORPFCP-LLVKDONJSA-N 2 2 280.372 0.902 20 0 CCADLP COCC[N@H+]1CCN(CC[NH+]2CCOC[C@H]2C)C[C@@H]1C ZINC000249056129 389252674 /nfs/dbraw/zinc/25/26/74/389252674.db2.gz OXYUEKUVYFHFNW-LSDHHAIUSA-N 2 2 285.432 0.360 20 0 CCADLP COCC[NH+]1CCN(CC[N@@H+]2CCOC[C@H]2C)C[C@@H]1C ZINC000249056129 389252675 /nfs/dbraw/zinc/25/26/75/389252675.db2.gz OXYUEKUVYFHFNW-LSDHHAIUSA-N 2 2 285.432 0.360 20 0 CCADLP COCC[NH+]1CCN(CC[N@H+]2CCOC[C@H]2C)C[C@@H]1C ZINC000249056129 389252676 /nfs/dbraw/zinc/25/26/76/389252676.db2.gz OXYUEKUVYFHFNW-LSDHHAIUSA-N 2 2 285.432 0.360 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000245611728 389214023 /nfs/dbraw/zinc/21/40/23/389214023.db2.gz LLCZXZMQWUKMCF-NEPJUHHUSA-N 2 2 275.418 0.094 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000245611728 389214030 /nfs/dbraw/zinc/21/40/30/389214030.db2.gz LLCZXZMQWUKMCF-NEPJUHHUSA-N 2 2 275.418 0.094 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000245611728 389214033 /nfs/dbraw/zinc/21/40/33/389214033.db2.gz LLCZXZMQWUKMCF-NEPJUHHUSA-N 2 2 275.418 0.094 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000245611728 389214037 /nfs/dbraw/zinc/21/40/37/389214037.db2.gz LLCZXZMQWUKMCF-NEPJUHHUSA-N 2 2 275.418 0.094 20 0 CCADLP C[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000342426463 389218067 /nfs/dbraw/zinc/21/80/67/389218067.db2.gz ZMTREZCVXFLXPL-ZYHUDNBSSA-N 2 2 283.397 0.670 20 0 CCADLP Cc1ccc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)nc1 ZINC000362686779 389240295 /nfs/dbraw/zinc/24/02/95/389240295.db2.gz VPECNGHBQVIKLX-HNNXBMFYSA-N 2 2 288.395 0.786 20 0 CCADLP Cc1ccc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)nc1 ZINC000362686779 389240298 /nfs/dbraw/zinc/24/02/98/389240298.db2.gz VPECNGHBQVIKLX-HNNXBMFYSA-N 2 2 288.395 0.786 20 0 CCADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)NC3CCOCC3)CC[C@@H]21 ZINC000158544215 389344547 /nfs/dbraw/zinc/34/45/47/389344547.db2.gz OZWFEARHMYPTLX-ZFWWWQNUSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)NC3CCOCC3)CC[C@@H]21 ZINC000158544215 389344550 /nfs/dbraw/zinc/34/45/50/389344550.db2.gz OZWFEARHMYPTLX-ZFWWWQNUSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)NC3CCOCC3)CC[C@@H]21 ZINC000158544215 389344554 /nfs/dbraw/zinc/34/45/54/389344554.db2.gz OZWFEARHMYPTLX-ZFWWWQNUSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCCCS1(=O)=O ZINC000346805800 389338688 /nfs/dbraw/zinc/33/86/88/389338688.db2.gz IWWNURSZUJYUHR-AGIUHOORSA-N 2 2 274.430 0.884 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCCCS1(=O)=O ZINC000346805800 389338694 /nfs/dbraw/zinc/33/86/94/389338694.db2.gz IWWNURSZUJYUHR-AGIUHOORSA-N 2 2 274.430 0.884 20 0 CCADLP C[N@@H+]1CC[C@@H](CNC(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000264637790 389340754 /nfs/dbraw/zinc/34/07/54/389340754.db2.gz CVKCFJWUYFWWAU-LBPRGKRZSA-N 2 2 285.351 0.949 20 0 CCADLP C[N@H+]1CC[C@@H](CNC(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000264637790 389340757 /nfs/dbraw/zinc/34/07/57/389340757.db2.gz CVKCFJWUYFWWAU-LBPRGKRZSA-N 2 2 285.351 0.949 20 0 CCADLP COCC[N@@H+]1CC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261894363 389278273 /nfs/dbraw/zinc/27/82/73/389278273.db2.gz GYOIJBBFIAEZAU-CAOSSQGBSA-N 2 2 297.443 0.454 20 0 CCADLP COCC[N@H+]1CC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261894363 389278274 /nfs/dbraw/zinc/27/82/74/389278274.db2.gz GYOIJBBFIAEZAU-CAOSSQGBSA-N 2 2 297.443 0.454 20 0 CCADLP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000345263509 389295175 /nfs/dbraw/zinc/29/51/75/389295175.db2.gz PQPCUGBPENLHMO-OLZOCXBDSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262982924 389297276 /nfs/dbraw/zinc/29/72/76/389297276.db2.gz MVMLUJAVUDIQAG-QWRGUYRKSA-N 2 2 275.343 0.974 20 0 CCADLP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262982924 389297278 /nfs/dbraw/zinc/29/72/78/389297278.db2.gz MVMLUJAVUDIQAG-QWRGUYRKSA-N 2 2 275.343 0.974 20 0 CCADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)NC3CCOCC3)CC[C@@H]21 ZINC000158544215 389344543 /nfs/dbraw/zinc/34/45/43/389344543.db2.gz OZWFEARHMYPTLX-ZFWWWQNUSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H](C(=O)N(C)C[C@H]1CCC[N@@H+]1C)[NH+]1CCSCC1 ZINC000421713236 389372575 /nfs/dbraw/zinc/37/25/75/389372575.db2.gz SFSLWCPVLBMWJF-CHWSQXEVSA-N 2 2 285.457 0.976 20 0 CCADLP C[C@H](C(=O)N(C)C[C@H]1CCC[N@H+]1C)[NH+]1CCSCC1 ZINC000421713236 389372577 /nfs/dbraw/zinc/37/25/77/389372577.db2.gz SFSLWCPVLBMWJF-CHWSQXEVSA-N 2 2 285.457 0.976 20 0 CCADLP Cn1ncc2c1nc[nH+]c2N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000368303908 389374814 /nfs/dbraw/zinc/37/48/14/389374814.db2.gz ISUUSEOJEYAVDU-CQSZACIVSA-N 2 2 272.356 0.895 20 0 CCADLP Cn1ncc2c1nc[nH+]c2N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000368303908 389374819 /nfs/dbraw/zinc/37/48/19/389374819.db2.gz ISUUSEOJEYAVDU-CQSZACIVSA-N 2 2 272.356 0.895 20 0 CCADLP C[C@H](CC(=O)N1CCCCCC1)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000333086625 389404255 /nfs/dbraw/zinc/40/42/55/389404255.db2.gz BRYIXDJTBBNMML-ZIAGYGMSSA-N 2 2 283.416 0.746 20 0 CCADLP CSCC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370843299 389418692 /nfs/dbraw/zinc/41/86/92/389418692.db2.gz RKGRFVXRCQLGKH-ZDUSSCGKSA-N 2 2 285.457 0.976 20 0 CCADLP CSCC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370843299 389418701 /nfs/dbraw/zinc/41/87/01/389418701.db2.gz RKGRFVXRCQLGKH-ZDUSSCGKSA-N 2 2 285.457 0.976 20 0 CCADLP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[NH+](C)C ZINC000370661331 389410236 /nfs/dbraw/zinc/41/02/36/389410236.db2.gz QHSQMNQANDQJMR-HIFRSBDPSA-N 3 2 296.459 0.611 20 0 CCADLP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[NH+](C)C ZINC000370661331 389410239 /nfs/dbraw/zinc/41/02/39/389410239.db2.gz QHSQMNQANDQJMR-HIFRSBDPSA-N 3 2 296.459 0.611 20 0 CCADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)C[NH+]1CCN(C)CC1 ZINC000264721101 389349620 /nfs/dbraw/zinc/34/96/20/389349620.db2.gz CRYIBWOCQSPESC-AWEZNQCLSA-N 2 2 293.415 0.273 20 0 CCADLP c1ccc(CC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)nc1 ZINC000422734915 389462327 /nfs/dbraw/zinc/46/23/27/389462327.db2.gz UVYCMZFMGBYALK-LSDHHAIUSA-N 2 2 261.369 0.981 20 0 CCADLP O[C@H](C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000422733998 389462708 /nfs/dbraw/zinc/46/27/08/389462708.db2.gz BWGCCYBZIWLOSX-BBWFWOEESA-N 2 2 290.407 0.947 20 0 CCADLP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000422774801 389472462 /nfs/dbraw/zinc/47/24/62/389472462.db2.gz YMZGJJIOVWGIOL-CABCVRRESA-N 3 2 287.448 0.687 20 0 CCADLP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000422774801 389472467 /nfs/dbraw/zinc/47/24/67/389472467.db2.gz YMZGJJIOVWGIOL-CABCVRRESA-N 3 2 287.448 0.687 20 0 CCADLP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422861854 389494129 /nfs/dbraw/zinc/49/41/29/389494129.db2.gz NARFQPDFFFPVRA-ZNMIVQPWSA-N 3 2 268.449 0.600 20 0 CCADLP C[N@@H+]1CC[C@H](CNC(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000373317936 389473478 /nfs/dbraw/zinc/47/34/78/389473478.db2.gz OPSWTBGEMTUKGM-CYBMUJFWSA-N 2 2 281.400 0.309 20 0 CCADLP C[N@H+]1CC[C@H](CNC(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000373317936 389473480 /nfs/dbraw/zinc/47/34/80/389473480.db2.gz OPSWTBGEMTUKGM-CYBMUJFWSA-N 2 2 281.400 0.309 20 0 CCADLP Nc1[nH+]cnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)c1Cl ZINC000273082323 389474395 /nfs/dbraw/zinc/47/43/95/389474395.db2.gz HSDGTGMILBBUGG-JTQLQIEISA-N 2 2 297.790 0.871 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000422782350 389474659 /nfs/dbraw/zinc/47/46/59/389474659.db2.gz LRYIKBOEKIZFPY-RRFJBIMHSA-N 2 2 297.443 0.990 20 0 CCADLP O=C(NC[C@H]1CCC[NH2+]1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000422786860 389475763 /nfs/dbraw/zinc/47/57/63/389475763.db2.gz PDFPYGIDDCACBF-ZIAGYGMSSA-N 2 2 281.400 0.356 20 0 CCADLP O=C(NC[C@H]1CCC[NH2+]1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000422786860 389475768 /nfs/dbraw/zinc/47/57/68/389475768.db2.gz PDFPYGIDDCACBF-ZIAGYGMSSA-N 2 2 281.400 0.356 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCNC(=O)c1ccco1 ZINC000422801100 389478100 /nfs/dbraw/zinc/47/81/00/389478100.db2.gz DOINITCATRZFFY-QWRGUYRKSA-N 2 2 251.330 0.597 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@@H](CC(C)C)[NH+](C)C ZINC000422821396 389482434 /nfs/dbraw/zinc/48/24/34/389482434.db2.gz VYBBGVASBJBSDA-MGPQQGTHSA-N 2 2 285.432 0.846 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000274153135 389491136 /nfs/dbraw/zinc/49/11/36/389491136.db2.gz LGJBXJQYMURNKM-GFCCVEGCSA-N 2 2 271.386 0.701 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000274153135 389491141 /nfs/dbraw/zinc/49/11/41/389491141.db2.gz LGJBXJQYMURNKM-GFCCVEGCSA-N 2 2 271.386 0.701 20 0 CCADLP NC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCn1cc[nH+]c1 ZINC000163023098 389424114 /nfs/dbraw/zinc/42/41/14/389424114.db2.gz SFWJQTAVHUDMGZ-AWEZNQCLSA-N 2 2 270.336 0.795 20 0 CCADLP NC(=O)[C@@H]1Cc2ccccc2C[N@H+]1CCn1cc[nH+]c1 ZINC000163023098 389424117 /nfs/dbraw/zinc/42/41/17/389424117.db2.gz SFWJQTAVHUDMGZ-AWEZNQCLSA-N 2 2 270.336 0.795 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000270918104 389436448 /nfs/dbraw/zinc/43/64/48/389436448.db2.gz URXFAOUXRFXYSB-QWHCGFSZSA-N 2 2 262.357 0.935 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000270918104 389436449 /nfs/dbraw/zinc/43/64/49/389436449.db2.gz URXFAOUXRFXYSB-QWHCGFSZSA-N 2 2 262.357 0.935 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCn2cc[nH+]c2C1 ZINC000333857500 389446810 /nfs/dbraw/zinc/44/68/10/389446810.db2.gz RGUNLFFNUKEDAJ-WDEREUQCSA-N 2 2 263.345 0.406 20 0 CCADLP CO[C@H](C)CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000372742368 389456653 /nfs/dbraw/zinc/45/66/53/389456653.db2.gz QKUSXWJAFVZTFT-CHWSQXEVSA-N 2 2 298.431 0.489 20 0 CCADLP CO[C@H](C)CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000372742368 389456659 /nfs/dbraw/zinc/45/66/59/389456659.db2.gz QKUSXWJAFVZTFT-CHWSQXEVSA-N 2 2 298.431 0.489 20 0 CCADLP CC[C@H](C(=O)N(C)[C@H]1CC[N@@H+]2CCO[C@H]1C2)[NH+](C)C ZINC000413848188 389568441 /nfs/dbraw/zinc/56/84/41/389568441.db2.gz VRODQNCVPDWDBZ-AGIUHOORSA-N 2 2 269.389 0.258 20 0 CCADLP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000422975433 389514138 /nfs/dbraw/zinc/51/41/38/389514138.db2.gz GRCUIJRLXVHCBT-HUUCEWRRSA-N 3 2 269.433 0.811 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334981953 389516497 /nfs/dbraw/zinc/51/64/97/389516497.db2.gz VFWXTMMNJSRRFN-SMDDNHRTSA-N 2 2 251.374 0.729 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334981953 389516499 /nfs/dbraw/zinc/51/64/99/389516499.db2.gz VFWXTMMNJSRRFN-SMDDNHRTSA-N 2 2 251.374 0.729 20 0 CCADLP C[C@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)[C@H]1CCCC[NH2+]1 ZINC000423023031 389523471 /nfs/dbraw/zinc/52/34/71/389523471.db2.gz GOVDDWAVNUYVBR-AEGPPILISA-N 2 2 267.417 0.970 20 0 CCADLP CC[C@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)[C@@H]1CCC[NH2+]1 ZINC000423026714 389523842 /nfs/dbraw/zinc/52/38/42/389523842.db2.gz NQWPBUHCXQVMCD-KKUMJFAQSA-N 2 2 267.417 0.970 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)[C@H]1CCC[NH2+]1 ZINC000423024629 389524023 /nfs/dbraw/zinc/52/40/23/389524023.db2.gz JTDGYPKKKPNUBV-IACUBPJLSA-N 2 2 253.390 0.580 20 0 CCADLP CC1=CC[N@H+](CCN[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000423029422 389525495 /nfs/dbraw/zinc/52/54/95/389525495.db2.gz AEGPMHQAOPPMPQ-CVEARBPZSA-N 2 2 279.428 0.995 20 0 CCADLP CC1=CC[N@@H+](CCN[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000423029422 389525501 /nfs/dbraw/zinc/52/55/01/389525501.db2.gz AEGPMHQAOPPMPQ-CVEARBPZSA-N 2 2 279.428 0.995 20 0 CCADLP CC1=CCN(CC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000423029422 389525506 /nfs/dbraw/zinc/52/55/06/389525506.db2.gz AEGPMHQAOPPMPQ-CVEARBPZSA-N 2 2 279.428 0.995 20 0 CCADLP CC[C@H](O)C[NH+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000276674549 389526995 /nfs/dbraw/zinc/52/69/95/389526995.db2.gz ZVMRLUHYMKLGIA-OOPCZODUSA-N 2 2 278.356 0.338 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000423077797 389530395 /nfs/dbraw/zinc/53/03/95/389530395.db2.gz UOTXVTFNHREOEE-OAGGEKHMSA-N 3 2 299.459 0.844 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000423077797 389530400 /nfs/dbraw/zinc/53/04/00/389530400.db2.gz UOTXVTFNHREOEE-OAGGEKHMSA-N 3 2 299.459 0.844 20 0 CCADLP C[C@H](C[C@H]1COCCN1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000423077797 389530403 /nfs/dbraw/zinc/53/04/03/389530403.db2.gz UOTXVTFNHREOEE-OAGGEKHMSA-N 2 2 299.459 0.844 20 0 CCADLP C[C@H](C[C@H]1COCCN1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000423077797 389530405 /nfs/dbraw/zinc/53/04/05/389530405.db2.gz UOTXVTFNHREOEE-OAGGEKHMSA-N 2 2 299.459 0.844 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1NC[C@@H](C)[NH+](CC)CC ZINC000423089190 389532332 /nfs/dbraw/zinc/53/23/32/389532332.db2.gz UOPCXPCTKSWQFG-AGIUHOORSA-N 2 2 271.405 0.600 20 0 CCADLP CC[C@@H]1CN(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)CCO1 ZINC000423091403 389533244 /nfs/dbraw/zinc/53/32/44/389533244.db2.gz XAMVEYLCZCCNRQ-MGPQQGTHSA-N 2 2 255.406 0.827 20 0 CCADLP CC[C@@H]1C[N@H+](CCN[C@H](C)[C@H]2CCC[NH2+]2)CCO1 ZINC000423091403 389533246 /nfs/dbraw/zinc/53/32/46/389533246.db2.gz XAMVEYLCZCCNRQ-MGPQQGTHSA-N 2 2 255.406 0.827 20 0 CCADLP CC[C@@H]1C[N@@H+](CCN[C@H](C)[C@H]2CCC[NH2+]2)CCO1 ZINC000423091403 389533249 /nfs/dbraw/zinc/53/32/49/389533249.db2.gz XAMVEYLCZCCNRQ-MGPQQGTHSA-N 2 2 255.406 0.827 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCC[NH+]2CCOCC2)C1 ZINC000175513820 389542373 /nfs/dbraw/zinc/54/23/73/389542373.db2.gz CHWHONMAYQAOMJ-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000423146410 389542829 /nfs/dbraw/zinc/54/28/29/389542829.db2.gz PDZJFTYKXUBVPO-ILXRZTDVSA-N 2 2 285.432 0.190 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000423146410 389542831 /nfs/dbraw/zinc/54/28/31/389542831.db2.gz PDZJFTYKXUBVPO-ILXRZTDVSA-N 2 2 285.432 0.190 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CCCCN1CCO ZINC000423146410 389542834 /nfs/dbraw/zinc/54/28/34/389542834.db2.gz PDZJFTYKXUBVPO-ILXRZTDVSA-N 2 2 285.432 0.190 20 0 CCADLP CCN(C)C(=O)[C@@H]([NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)C(C)C ZINC000423155955 389546120 /nfs/dbraw/zinc/54/61/20/389546120.db2.gz KGORQATVJDUQEA-MJBXVCDLSA-N 2 2 285.432 0.846 20 0 CCADLP CC[C@@H](C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C)[NH+](C)C ZINC000413678383 389548856 /nfs/dbraw/zinc/54/88/56/389548856.db2.gz VBEKYQBZVAYTEF-STQMWFEESA-N 2 2 299.415 0.422 20 0 CCADLP CC[C@@H](C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C)[NH+](C)C ZINC000413678383 389548859 /nfs/dbraw/zinc/54/88/59/389548859.db2.gz VBEKYQBZVAYTEF-STQMWFEESA-N 2 2 299.415 0.422 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CCN1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000351266834 389571075 /nfs/dbraw/zinc/57/10/75/389571075.db2.gz FPZJLXIXGREJPA-AWEZNQCLSA-N 2 2 296.459 0.742 20 0 CCADLP C[N@H+]1CCCC[C@H]1CCN1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000351266834 389571080 /nfs/dbraw/zinc/57/10/80/389571080.db2.gz FPZJLXIXGREJPA-AWEZNQCLSA-N 2 2 296.459 0.742 20 0 CCADLP C[C@H]([NH2+]CC[NH3+])[C@H](c1ccccc1)N1CCOCC1 ZINC000423189206 389550046 /nfs/dbraw/zinc/55/00/46/389550046.db2.gz QNJXGGMXNUMOQO-DZGCQCFKSA-N 2 2 263.385 0.997 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000423187936 389550116 /nfs/dbraw/zinc/55/01/16/389550116.db2.gz YOXYWEFUCUXOJC-ZIAGYGMSSA-N 3 2 254.422 0.212 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000423187936 389550121 /nfs/dbraw/zinc/55/01/21/389550121.db2.gz YOXYWEFUCUXOJC-ZIAGYGMSSA-N 3 2 254.422 0.212 20 0 CCADLP CCCC[C@H](C[NH3+])N[C@@H]1CC[NH2+][C@H]1C(=O)OCC ZINC000423294893 389560167 /nfs/dbraw/zinc/56/01/67/389560167.db2.gz DCOKEZNKNOBIJW-IJLUTSLNSA-N 2 2 257.378 0.387 20 0 CCADLP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCN[C@H]1C(=O)OCC ZINC000423294893 389560169 /nfs/dbraw/zinc/56/01/69/389560169.db2.gz DCOKEZNKNOBIJW-IJLUTSLNSA-N 2 2 257.378 0.387 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000422866046 389496205 /nfs/dbraw/zinc/49/62/05/389496205.db2.gz POTDVBYKURUSLW-APIJFGDWSA-N 2 2 297.443 0.990 20 0 CCADLP COCC[N@@H+]1CC[C@H](N[C@H](C)c2c[nH+]ccc2N)C1 ZINC000422889919 389500385 /nfs/dbraw/zinc/50/03/85/389500385.db2.gz QVKZYGXGYQRJGK-NEPJUHHUSA-N 2 2 264.373 0.865 20 0 CCADLP COCC[N@H+]1CC[C@H](N[C@H](C)c2c[nH+]ccc2N)C1 ZINC000422889919 389500387 /nfs/dbraw/zinc/50/03/87/389500387.db2.gz QVKZYGXGYQRJGK-NEPJUHHUSA-N 2 2 264.373 0.865 20 0 CCADLP COCCN1CC[C@H]([NH2+][C@H](C)c2c[nH+]ccc2N)C1 ZINC000422889919 389500389 /nfs/dbraw/zinc/50/03/89/389500389.db2.gz QVKZYGXGYQRJGK-NEPJUHHUSA-N 2 2 264.373 0.865 20 0 CCADLP C[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000334798886 389505263 /nfs/dbraw/zinc/50/52/63/389505263.db2.gz AGSSCYDQGNPZNG-NWDGAFQWSA-N 2 2 262.357 0.608 20 0 CCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000334798886 389505264 /nfs/dbraw/zinc/50/52/64/389505264.db2.gz AGSSCYDQGNPZNG-NWDGAFQWSA-N 2 2 262.357 0.608 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC1([NH+](C)C)CCC1 ZINC000281874311 389630490 /nfs/dbraw/zinc/63/04/90/389630490.db2.gz OLDDIZDEAUNHCQ-UHFFFAOYSA-N 2 2 264.373 0.953 20 0 CCADLP COC(=O)C(C)(C)[NH+]1CCN(C[C@@H]([NH3+])CC(C)C)CC1 ZINC000414756369 389635245 /nfs/dbraw/zinc/63/52/45/389635245.db2.gz QPARXIIRHFHURD-ZDUSSCGKSA-N 2 2 285.432 0.929 20 0 CCADLP COC(=O)C(C)(C)[NH+]1CCN(CC[NH2+]C(C)(C)C)CC1 ZINC000414751299 389635536 /nfs/dbraw/zinc/63/55/36/389635536.db2.gz ILHACYXWYBXCLU-UHFFFAOYSA-N 2 2 285.432 0.944 20 0 CCADLP c1ccc(N2CCOCC2)c(C[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000414864728 389641846 /nfs/dbraw/zinc/64/18/46/389641846.db2.gz CBFAKBFUTSHVKH-AWEZNQCLSA-N 2 2 261.369 0.975 20 0 CCADLP CN(C)C(=O)COc1ccccc1C[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414890428 389643457 /nfs/dbraw/zinc/64/34/57/389643457.db2.gz HHYUZRAPNVWTGL-CQSZACIVSA-N 2 2 291.395 0.981 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(Cc2c[nH+]cn2C)CC1 ZINC000177161091 389575382 /nfs/dbraw/zinc/57/53/82/389575382.db2.gz SXDWOUYCKUBOBQ-LBPRGKRZSA-N 2 2 252.362 0.309 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@@H+]1CCOC[C@H]1C)[C@@H](C)[NH3+] ZINC000423384897 389576185 /nfs/dbraw/zinc/57/61/85/389576185.db2.gz QLPDYNYNEOZDMP-UPJWGTAASA-N 2 2 271.405 0.443 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@H+]1CCOC[C@H]1C)[C@@H](C)[NH3+] ZINC000423384897 389576194 /nfs/dbraw/zinc/57/61/94/389576194.db2.gz QLPDYNYNEOZDMP-UPJWGTAASA-N 2 2 271.405 0.443 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)CC1(C[NH3+])CC1 ZINC000423386127 389576542 /nfs/dbraw/zinc/57/65/42/389576542.db2.gz RHNXAMJNCYVPQB-UHFFFAOYSA-N 2 2 269.389 0.342 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)CC1(C[NH3+])CC1 ZINC000423386127 389576546 /nfs/dbraw/zinc/57/65/46/389576546.db2.gz RHNXAMJNCYVPQB-UHFFFAOYSA-N 2 2 269.389 0.342 20 0 CCADLP COC[C@]1(C(=O)NCc2[nH+]ccn2CC(C)C)CC[NH2+]C1 ZINC000423423635 389584071 /nfs/dbraw/zinc/58/40/71/389584071.db2.gz MEBXVMSAPSJCJK-HNNXBMFYSA-N 2 2 294.399 0.781 20 0 CCADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H](C)C1 ZINC000423455741 389589837 /nfs/dbraw/zinc/58/98/37/389589837.db2.gz MRYUURDYFUULFK-LJIZCISZSA-N 3 2 281.444 0.931 20 0 CCADLP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H](C)C1 ZINC000423455741 389589839 /nfs/dbraw/zinc/58/98/39/389589839.db2.gz MRYUURDYFUULFK-LJIZCISZSA-N 3 2 281.444 0.931 20 0 CCADLP CC[C@H](C(=O)N(C)C(C)(C)C[NH+]1CCOCC1)[NH+](C)C ZINC000414041024 389597460 /nfs/dbraw/zinc/59/74/60/389597460.db2.gz LUIHTGYVVGPDCT-CYBMUJFWSA-N 2 2 285.432 0.896 20 0 CCADLP C[NH2+][C@@H](C)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000423633166 389603370 /nfs/dbraw/zinc/60/33/70/389603370.db2.gz PCHINMFMDVWCLZ-WCQYABFASA-N 2 2 269.389 0.354 20 0 CCADLP C[NH2+][C@@H](C)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000423633166 389603375 /nfs/dbraw/zinc/60/33/75/389603375.db2.gz PCHINMFMDVWCLZ-WCQYABFASA-N 2 2 269.389 0.354 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000335749424 389604464 /nfs/dbraw/zinc/60/44/64/389604464.db2.gz SZOXHMOHVGMWLF-RISCZKNCSA-N 2 2 251.374 0.681 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000335749424 389604468 /nfs/dbraw/zinc/60/44/68/389604468.db2.gz SZOXHMOHVGMWLF-RISCZKNCSA-N 2 2 251.374 0.681 20 0 CCADLP C[C@H](C(=O)NC1CC1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000335749424 389604473 /nfs/dbraw/zinc/60/44/73/389604473.db2.gz SZOXHMOHVGMWLF-RISCZKNCSA-N 2 2 251.374 0.681 20 0 CCADLP C[C@H](C(=O)NC1CC1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000335749424 389604474 /nfs/dbraw/zinc/60/44/74/389604474.db2.gz SZOXHMOHVGMWLF-RISCZKNCSA-N 2 2 251.374 0.681 20 0 CCADLP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCn1cc[nH+]c1 ZINC000416287458 389725228 /nfs/dbraw/zinc/72/52/28/389725228.db2.gz BYTVCHFKVHGCHW-QWHCGFSZSA-N 2 2 280.372 0.187 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CCn1cc[nH+]c1 ZINC000416287458 389725229 /nfs/dbraw/zinc/72/52/29/389725229.db2.gz BYTVCHFKVHGCHW-QWHCGFSZSA-N 2 2 280.372 0.187 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1cccc2c1OCO2 ZINC000414969785 389649267 /nfs/dbraw/zinc/64/92/67/389649267.db2.gz UBQMHLPWOSQSEU-GFCCVEGCSA-N 2 2 263.341 0.409 20 0 CCADLP CCOc1cccc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)n1 ZINC000414969693 389649624 /nfs/dbraw/zinc/64/96/24/389649624.db2.gz SZEREGMWVZTTCA-ZDUSSCGKSA-N 2 2 264.373 0.474 20 0 CCADLP CCN(CC)c1ncc(C[N@H+](C)C[C@H](O)C[NH3+])s1 ZINC000415047058 389653746 /nfs/dbraw/zinc/65/37/46/389653746.db2.gz ADRRSBCTTZSJEJ-SNVBAGLBSA-N 2 2 272.418 0.741 20 0 CCADLP CCN(CC)c1ncc(C[N@@H+](C)C[C@H](O)C[NH3+])s1 ZINC000415047058 389653750 /nfs/dbraw/zinc/65/37/50/389653750.db2.gz ADRRSBCTTZSJEJ-SNVBAGLBSA-N 2 2 272.418 0.741 20 0 CCADLP Cc1ccccc1-n1nccc1C[N@H+](C)C[C@H](O)C[NH3+] ZINC000415072231 389655431 /nfs/dbraw/zinc/65/54/31/389655431.db2.gz VVWOHMNESIRKLS-CQSZACIVSA-N 2 2 274.368 0.932 20 0 CCADLP Cc1ccccc1-n1nccc1C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000415072231 389655433 /nfs/dbraw/zinc/65/54/33/389655433.db2.gz VVWOHMNESIRKLS-CQSZACIVSA-N 2 2 274.368 0.932 20 0 CCADLP COC(=O)c1ccc(Cl)c(C[N@H+](C)C[C@H](O)C[NH3+])c1 ZINC000415069211 389655581 /nfs/dbraw/zinc/65/55/81/389655581.db2.gz OJHRLVYDSHSPEG-LLVKDONJSA-N 2 2 286.759 0.878 20 0 CCADLP COC(=O)c1ccc(Cl)c(C[N@@H+](C)C[C@H](O)C[NH3+])c1 ZINC000415069211 389655586 /nfs/dbraw/zinc/65/55/86/389655586.db2.gz OJHRLVYDSHSPEG-LLVKDONJSA-N 2 2 286.759 0.878 20 0 CCADLP CC(C)[NH+]1CCC(N2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000351698708 389659079 /nfs/dbraw/zinc/65/90/79/389659079.db2.gz CUROACYNQKSGFY-UHFFFAOYSA-N 2 2 296.459 0.565 20 0 CCADLP c1cc(N2CCCC2)ncc1C[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415098940 389659788 /nfs/dbraw/zinc/65/97/88/389659788.db2.gz XBIMXTRIXCTXPK-CQSZACIVSA-N 2 2 276.384 0.760 20 0 CCADLP Cc1ccc(NC(=O)N(C)[C@H]2C[NH2+]C[C@@H]2O)c(C)[nH+]1 ZINC000415288781 389669633 /nfs/dbraw/zinc/66/96/33/389669633.db2.gz YEDFFEUFVLJBRT-RYUDHWBXSA-N 2 2 264.329 0.495 20 0 CCADLP CC[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000182238400 389704417 /nfs/dbraw/zinc/70/44/17/389704417.db2.gz QIQYWWVUGXPGGH-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C[NH+](C)C(C)C)[C@@H](C)C1 ZINC000182300557 389705465 /nfs/dbraw/zinc/70/54/65/389705465.db2.gz INDZKYAPFAPNPL-ZDUSSCGKSA-N 2 2 299.415 0.422 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)C[NH+](C)C(C)C)[C@@H](C)C1 ZINC000182300557 389705469 /nfs/dbraw/zinc/70/54/69/389705469.db2.gz INDZKYAPFAPNPL-ZDUSSCGKSA-N 2 2 299.415 0.422 20 0 CCADLP COC(=O)CC[NH+]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC000182300557 389705472 /nfs/dbraw/zinc/70/54/72/389705472.db2.gz INDZKYAPFAPNPL-ZDUSSCGKSA-N 2 2 299.415 0.422 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CO)CC1 ZINC000378670680 389759943 /nfs/dbraw/zinc/75/99/43/389759943.db2.gz CWNJXQAKYCHZSM-UONOGXRCSA-N 2 2 274.405 0.020 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CO)CC1 ZINC000378670680 389759946 /nfs/dbraw/zinc/75/99/46/389759946.db2.gz CWNJXQAKYCHZSM-UONOGXRCSA-N 2 2 274.405 0.020 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](CO)CC1 ZINC000378670680 389759948 /nfs/dbraw/zinc/75/99/48/389759948.db2.gz CWNJXQAKYCHZSM-UONOGXRCSA-N 2 2 274.405 0.020 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](CO)CC1 ZINC000378670680 389759950 /nfs/dbraw/zinc/75/99/50/389759950.db2.gz CWNJXQAKYCHZSM-UONOGXRCSA-N 2 2 274.405 0.020 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)C[C@@H]1CCCOC1 ZINC000389094963 389771951 /nfs/dbraw/zinc/77/19/51/389771951.db2.gz NNDOCKPYBKREEF-UONOGXRCSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)C[C@@H]1CCCOC1 ZINC000389094963 389771954 /nfs/dbraw/zinc/77/19/54/389771954.db2.gz NNDOCKPYBKREEF-UONOGXRCSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000389094963 389771957 /nfs/dbraw/zinc/77/19/57/389771957.db2.gz NNDOCKPYBKREEF-UONOGXRCSA-N 2 2 274.405 0.284 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000389094963 389771962 /nfs/dbraw/zinc/77/19/62/389771962.db2.gz NNDOCKPYBKREEF-UONOGXRCSA-N 2 2 274.405 0.284 20 0 CCADLP C[NH2+]CCCNC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000416832072 389774633 /nfs/dbraw/zinc/77/46/33/389774633.db2.gz UGTGVUWIJLNTJJ-UHFFFAOYSA-N 2 2 272.393 0.006 20 0 CCADLP O=C(NCCc1cn2ccccc2[nH+]1)N[C@H]1CC[NH2+]C1 ZINC000416939541 389782957 /nfs/dbraw/zinc/78/29/57/389782957.db2.gz CWUCXKNZCCGIME-NSHDSACASA-N 2 2 273.340 0.538 20 0 CCADLP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000352277161 389782971 /nfs/dbraw/zinc/78/29/71/389782971.db2.gz ZEUPBYXNXYANCT-GJZGRUSLSA-N 2 2 295.427 0.648 20 0 CCADLP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000352277161 389782972 /nfs/dbraw/zinc/78/29/72/389782972.db2.gz ZEUPBYXNXYANCT-GJZGRUSLSA-N 2 2 295.427 0.648 20 0 CCADLP C[C@H](CNC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000417011731 389789667 /nfs/dbraw/zinc/78/96/67/389789667.db2.gz SVCKGLUWOVBHQO-HZSPNIEDSA-N 2 2 298.431 0.524 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000417018810 389790320 /nfs/dbraw/zinc/79/03/20/389790320.db2.gz FMJXSMBDYWGBOJ-HZSPNIEDSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@@]2(CCOC2)O1 ZINC000352342388 389793003 /nfs/dbraw/zinc/79/30/03/389793003.db2.gz RTXUDAVEUMBSGF-VHDGCEQUSA-N 2 2 284.400 0.321 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@@]2(CCOC2)O1 ZINC000352342388 389793005 /nfs/dbraw/zinc/79/30/05/389793005.db2.gz RTXUDAVEUMBSGF-VHDGCEQUSA-N 2 2 284.400 0.321 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C[C@@]2(CCOC2)O1 ZINC000352342388 389793007 /nfs/dbraw/zinc/79/30/07/389793007.db2.gz RTXUDAVEUMBSGF-VHDGCEQUSA-N 2 2 284.400 0.321 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C[C@@]2(CCOC2)O1 ZINC000352342388 389793009 /nfs/dbraw/zinc/79/30/09/389793009.db2.gz RTXUDAVEUMBSGF-VHDGCEQUSA-N 2 2 284.400 0.321 20 0 CCADLP CC(C)(C[NH3+])NC(=O)NCCCNc1cccc[nH+]1 ZINC000417073233 389793801 /nfs/dbraw/zinc/79/38/01/389793801.db2.gz IFMAJPCOLUKLCT-UHFFFAOYSA-N 2 2 265.361 0.920 20 0 CCADLP C[C@@H](C[NH3+])NC(=O)NCCCNc1cccc[nH+]1 ZINC000417086171 389796027 /nfs/dbraw/zinc/79/60/27/389796027.db2.gz YHIDETWMWSQGPI-JTQLQIEISA-N 2 2 251.334 0.530 20 0 CCADLP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429000998 389732483 /nfs/dbraw/zinc/73/24/83/389732483.db2.gz NEDDXCJUUIDTAQ-HNNXBMFYSA-N 2 2 265.401 0.882 20 0 CCADLP CN(CC1CC1)C(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429000998 389732486 /nfs/dbraw/zinc/73/24/86/389732486.db2.gz NEDDXCJUUIDTAQ-HNNXBMFYSA-N 2 2 265.401 0.882 20 0 CCADLP CN(CC1CC1)C(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429000998 389732490 /nfs/dbraw/zinc/73/24/90/389732490.db2.gz NEDDXCJUUIDTAQ-HNNXBMFYSA-N 2 2 265.401 0.882 20 0 CCADLP CN(CC1CC1)C(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000429000998 389732492 /nfs/dbraw/zinc/73/24/92/389732492.db2.gz NEDDXCJUUIDTAQ-HNNXBMFYSA-N 2 2 265.401 0.882 20 0 CCADLP CCCC[C@H](C[NH3+])NC(=O)NCC[NH+]1CCOCC1 ZINC000416433636 389742480 /nfs/dbraw/zinc/74/24/80/389742480.db2.gz QDAHKCQHHIMGOE-GFCCVEGCSA-N 2 2 272.393 0.135 20 0 CCADLP c1cn(CCCNc2cc[nH+]c(N3CCOCC3)n2)c[nH+]1 ZINC000352385171 389801924 /nfs/dbraw/zinc/80/19/24/389801924.db2.gz CGSQSGJTXDYWGI-UHFFFAOYSA-N 2 2 288.355 0.434 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000430571868 389808409 /nfs/dbraw/zinc/80/84/09/389808409.db2.gz DFEHGZCXMVRWKS-ILXRZTDVSA-N 3 2 296.459 0.598 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000430571868 389808411 /nfs/dbraw/zinc/80/84/11/389808411.db2.gz DFEHGZCXMVRWKS-ILXRZTDVSA-N 3 2 296.459 0.598 20 0 CCADLP Cc1cc(NC(=O)C[NH2+][C@@](C)(C[NH3+])C(C)C)on1 ZINC000430573689 389809302 /nfs/dbraw/zinc/80/93/02/389809302.db2.gz HJOKQZFMRSDHDN-LBPRGKRZSA-N 2 2 254.334 0.885 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430604569 389812070 /nfs/dbraw/zinc/81/20/70/389812070.db2.gz NVMYHBZPEGNBCK-NWDGAFQWSA-N 2 2 284.404 0.527 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430604569 389812073 /nfs/dbraw/zinc/81/20/73/389812073.db2.gz NVMYHBZPEGNBCK-NWDGAFQWSA-N 2 2 284.404 0.527 20 0 CCADLP COCCOCC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000352450522 389813156 /nfs/dbraw/zinc/81/31/56/389813156.db2.gz RDSKZGPQNNOMJL-UHFFFAOYSA-N 2 2 268.361 0.190 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)N(C)CC2CC2)C1 ZINC000430619056 389813508 /nfs/dbraw/zinc/81/35/08/389813508.db2.gz YUUHSELVRMODKF-CYBMUJFWSA-N 2 2 253.390 0.786 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)N(C)CC2CC2)C1 ZINC000430619056 389813510 /nfs/dbraw/zinc/81/35/10/389813510.db2.gz YUUHSELVRMODKF-CYBMUJFWSA-N 2 2 253.390 0.786 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[NH+]1CCC([NH3+])CC1 ZINC000430638617 389814734 /nfs/dbraw/zinc/81/47/34/389814734.db2.gz FYSHUKKFFDJVLP-NSHDSACASA-N 2 2 257.378 0.341 20 0 CCADLP CCCCOCCNC(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000430639799 389816056 /nfs/dbraw/zinc/81/60/56/389816056.db2.gz GFNPUTYLNAMPHL-UHFFFAOYSA-N 2 2 271.405 0.603 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000430639799 389816058 /nfs/dbraw/zinc/81/60/58/389816058.db2.gz GFNPUTYLNAMPHL-UHFFFAOYSA-N 2 2 271.405 0.603 20 0 CCADLP C[NH2+][C@H]1CCCN(C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000417513629 389824317 /nfs/dbraw/zinc/82/43/17/389824317.db2.gz YVHRTEFGXOJXRV-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH2+][C@H]1CCCN(C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000417513629 389824321 /nfs/dbraw/zinc/82/43/21/389824321.db2.gz YVHRTEFGXOJXRV-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H](NC(=O)NC(C)(C)C[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000417524495 389825948 /nfs/dbraw/zinc/82/59/48/389825948.db2.gz SKQARNPIYMNIFQ-MNOVXSKESA-N 2 2 272.393 0.132 20 0 CCADLP COC(=O)c1coc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000352541101 389828948 /nfs/dbraw/zinc/82/89/48/389828948.db2.gz UCXBTFJDQFPUTK-CYBMUJFWSA-N 2 2 293.367 0.546 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C1(C[NH3+])CCCC1 ZINC000430881733 389831865 /nfs/dbraw/zinc/83/18/65/389831865.db2.gz DVXCZWSLVRWLRE-GFCCVEGCSA-N 2 2 269.389 0.342 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C1(C[NH3+])CCCC1 ZINC000430881733 389831867 /nfs/dbraw/zinc/83/18/67/389831867.db2.gz DVXCZWSLVRWLRE-GFCCVEGCSA-N 2 2 269.389 0.342 20 0 CCADLP COCC[C@]1(C(=O)NCc2[nH+]ccn2C)CC[NH2+]C1 ZINC000430895851 389832619 /nfs/dbraw/zinc/83/26/19/389832619.db2.gz VSSGKVJVEHCCKD-CYBMUJFWSA-N 2 2 266.345 0.053 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000430915528 389833812 /nfs/dbraw/zinc/83/38/12/389833812.db2.gz CZDNXOOPNQXJQO-KGLIPLIRSA-N 3 2 296.459 0.598 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cc(C)nn3C)C2=O)C1 ZINC000430923361 389834870 /nfs/dbraw/zinc/83/48/70/389834870.db2.gz DDERSNAERMJDOZ-QWHCGFSZSA-N 2 2 291.399 0.375 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H]2CCN(c3cc(C)nn3C)C2=O)C1 ZINC000430923361 389834873 /nfs/dbraw/zinc/83/48/73/389834873.db2.gz DDERSNAERMJDOZ-QWHCGFSZSA-N 2 2 291.399 0.375 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000430922641 389835201 /nfs/dbraw/zinc/83/52/01/389835201.db2.gz BRYZUAZNVIXHHC-CYBMUJFWSA-N 2 2 271.405 0.461 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000430922641 389835203 /nfs/dbraw/zinc/83/52/03/389835203.db2.gz BRYZUAZNVIXHHC-CYBMUJFWSA-N 2 2 271.405 0.461 20 0 CCADLP Cc1cc(N2CC[C@H]([N@@H+]3CC[C@H](C[NH3+])C3)C2=O)n(C)n1 ZINC000430929289 389836087 /nfs/dbraw/zinc/83/60/87/389836087.db2.gz ORTYQDPTWUXDGA-NEPJUHHUSA-N 2 2 277.372 0.114 20 0 CCADLP Cc1cc(N2CC[C@H]([N@H+]3CC[C@H](C[NH3+])C3)C2=O)n(C)n1 ZINC000430929289 389836090 /nfs/dbraw/zinc/83/60/90/389836090.db2.gz ORTYQDPTWUXDGA-NEPJUHHUSA-N 2 2 277.372 0.114 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)NC(C)(C)C)C1 ZINC000430933925 389836395 /nfs/dbraw/zinc/83/63/95/389836395.db2.gz MXLCNXZMQKDCMT-MNOVXSKESA-N 2 2 284.404 0.541 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)NC(C)(C)C)C1 ZINC000430933925 389836396 /nfs/dbraw/zinc/83/63/96/389836396.db2.gz MXLCNXZMQKDCMT-MNOVXSKESA-N 2 2 284.404 0.541 20 0 CCADLP CC(C)[N@H+](C)CCCNC(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000352774815 389837296 /nfs/dbraw/zinc/83/72/96/389837296.db2.gz XFKQCHOHBSVDRF-CQSZACIVSA-N 2 2 284.448 0.469 20 0 CCADLP CC(C)[N@@H+](C)CCCNC(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000352774815 389837298 /nfs/dbraw/zinc/83/72/98/389837298.db2.gz XFKQCHOHBSVDRF-CQSZACIVSA-N 2 2 284.448 0.469 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)CC1 ZINC000430949502 389839015 /nfs/dbraw/zinc/83/90/15/389839015.db2.gz NXAVOOZNDVRRKT-HIFRSBDPSA-N 3 2 296.459 0.645 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)CC1 ZINC000430949502 389839018 /nfs/dbraw/zinc/83/90/18/389839018.db2.gz NXAVOOZNDVRRKT-HIFRSBDPSA-N 3 2 296.459 0.645 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000430965048 389842076 /nfs/dbraw/zinc/84/20/76/389842076.db2.gz HOGMBKKTYRFAHX-CQSZACIVSA-N 3 2 296.459 0.517 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000430965048 389842077 /nfs/dbraw/zinc/84/20/77/389842077.db2.gz HOGMBKKTYRFAHX-CQSZACIVSA-N 3 2 296.459 0.517 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000430973316 389842814 /nfs/dbraw/zinc/84/28/14/389842814.db2.gz WXRSAIKEKWBGIT-IHRRRGAJSA-N 3 2 282.432 0.208 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000430973316 389842816 /nfs/dbraw/zinc/84/28/16/389842816.db2.gz WXRSAIKEKWBGIT-IHRRRGAJSA-N 3 2 282.432 0.208 20 0 CCADLP COCC[NH2+]CC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000431047707 389848114 /nfs/dbraw/zinc/84/81/14/389848114.db2.gz YEADLIDPFONVQD-UHFFFAOYSA-N 2 2 266.345 0.352 20 0 CCADLP CC(C)([NH3+])c1noc(C[NH2+]C2(C(N)=O)CCCCC2)n1 ZINC000431107134 389850444 /nfs/dbraw/zinc/85/04/44/389850444.db2.gz PNYHKQAIEIDAQU-UHFFFAOYSA-N 2 2 281.360 0.541 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)[C@H]2CCC[C@@H]21 ZINC000353432929 389850893 /nfs/dbraw/zinc/85/08/93/389850893.db2.gz DQASPKQQMULJSF-CRWXNKLISA-N 2 2 286.441 0.884 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)[C@H]2CCC[C@@H]21 ZINC000353432929 389850896 /nfs/dbraw/zinc/85/08/96/389850896.db2.gz DQASPKQQMULJSF-CRWXNKLISA-N 2 2 286.441 0.884 20 0 CCADLP C[C@@H](C(=O)N1CCC[C@H](CC[NH3+])C1)[NH+]1CCOCC1 ZINC000442620414 389850880 /nfs/dbraw/zinc/85/08/80/389850880.db2.gz JPPCJKMNMYNNJE-QWHCGFSZSA-N 2 2 269.389 0.295 20 0 CCADLP Cc1nc(C)n(C[C@H]2CCC[N@@H+](C[C@H](C)[NH3+])C2)n1 ZINC000442655570 389853733 /nfs/dbraw/zinc/85/37/33/389853733.db2.gz CSASJAJPCFWNEZ-GWCFXTLKSA-N 2 2 251.378 0.954 20 0 CCADLP Cc1nc(C)n(C[C@H]2CCC[N@H+](C[C@H](C)[NH3+])C2)n1 ZINC000442655570 389853734 /nfs/dbraw/zinc/85/37/34/389853734.db2.gz CSASJAJPCFWNEZ-GWCFXTLKSA-N 2 2 251.378 0.954 20 0 CCADLP CCOCCCNC(=O)C1CC[NH+](C[C@H](C)[NH3+])CC1 ZINC000442661743 389853892 /nfs/dbraw/zinc/85/38/92/389853892.db2.gz CZMPAJXGETWUKB-LBPRGKRZSA-N 2 2 271.405 0.588 20 0 CCADLP C[C@@H]1CN(C(=O)NCc2c[nH+]c(N(C)C)n2C)[C@@H](C)C[NH2+]1 ZINC000417832049 389854064 /nfs/dbraw/zinc/85/40/64/389854064.db2.gz CTERSPKBDSZDLP-MNOVXSKESA-N 2 2 294.403 0.378 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)n1 ZINC000442788719 389863010 /nfs/dbraw/zinc/86/30/10/389863010.db2.gz YJRZBHPBIROQRE-UWVGGRQHSA-N 2 2 250.346 0.914 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)n1 ZINC000442788719 389863012 /nfs/dbraw/zinc/86/30/12/389863012.db2.gz YJRZBHPBIROQRE-UWVGGRQHSA-N 2 2 250.346 0.914 20 0 CCADLP CCn1c[nH+]cc1CN1CC[C@@H]([N@H+](C)CCO)[C@H]1C ZINC000418059892 389868623 /nfs/dbraw/zinc/86/86/23/389868623.db2.gz BEDIQDABLQWCPV-TZMCWYRMSA-N 2 2 266.389 0.790 20 0 CCADLP CCn1c[nH+]cc1CN1CC[C@@H]([N@@H+](C)CCO)[C@H]1C ZINC000418059892 389868624 /nfs/dbraw/zinc/86/86/24/389868624.db2.gz BEDIQDABLQWCPV-TZMCWYRMSA-N 2 2 266.389 0.790 20 0 CCADLP COCCN1CC[C@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000432364133 389879099 /nfs/dbraw/zinc/87/90/99/389879099.db2.gz ZTAQRSSQFUCELH-HOTGVXAUSA-N 2 2 299.459 0.798 20 0 CCADLP COCCN1CC[C@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000432364133 389879102 /nfs/dbraw/zinc/87/91/02/389879102.db2.gz ZTAQRSSQFUCELH-HOTGVXAUSA-N 2 2 299.459 0.798 20 0 CCADLP C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1coc(C[NH3+])c1 ZINC000444167643 389894152 /nfs/dbraw/zinc/89/41/52/389894152.db2.gz FPSYJVLYSVTFGE-NSHDSACASA-N 2 2 281.356 0.579 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000433171929 389903402 /nfs/dbraw/zinc/90/34/02/389903402.db2.gz FZJPRMBPBGYMJG-LBPRGKRZSA-N 2 2 279.388 0.285 20 0 CCADLP C[C@@H]1CC[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)CS1(=O)=O ZINC000657637848 413042968 /nfs/dbraw/zinc/04/29/68/413042968.db2.gz KKZAMYZNCOYIKD-GHMZBOCLSA-N 2 2 283.397 0.885 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2cncc(F)c2)C1 ZINC000435377868 389956613 /nfs/dbraw/zinc/95/66/13/389956613.db2.gz GCCYKYSTNHYUMF-CQSZACIVSA-N 2 2 292.358 0.617 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2cncc(F)c2)C1 ZINC000435377868 389956617 /nfs/dbraw/zinc/95/66/17/389956617.db2.gz GCCYKYSTNHYUMF-CQSZACIVSA-N 2 2 292.358 0.617 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000447651312 389961354 /nfs/dbraw/zinc/96/13/54/389961354.db2.gz FWDYYNWYFHZXHM-OKILXGFUSA-N 2 2 285.432 0.896 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000447651312 389961356 /nfs/dbraw/zinc/96/13/56/389961356.db2.gz FWDYYNWYFHZXHM-OKILXGFUSA-N 2 2 285.432 0.896 20 0 CCADLP CCC[NH+](C)CC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000447651312 389961359 /nfs/dbraw/zinc/96/13/59/389961359.db2.gz FWDYYNWYFHZXHM-OKILXGFUSA-N 2 2 285.432 0.896 20 0 CCADLP CCC[NH+](C)CC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000447651312 389961360 /nfs/dbraw/zinc/96/13/60/389961360.db2.gz FWDYYNWYFHZXHM-OKILXGFUSA-N 2 2 285.432 0.896 20 0 CCADLP C[NH2+]C[C@H](C)CNc1cc(N2CCN(C)C(=O)C2)nc[nH+]1 ZINC000420203309 389965459 /nfs/dbraw/zinc/96/54/59/389965459.db2.gz OCSDOTPRWLOKQG-NSHDSACASA-N 2 2 292.387 0.022 20 0 CCADLP C[NH2+]C[C@H](C)CNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1 ZINC000420203309 389965461 /nfs/dbraw/zinc/96/54/61/389965461.db2.gz OCSDOTPRWLOKQG-NSHDSACASA-N 2 2 292.387 0.022 20 0 CCADLP CC(C)c1nc(N(C)C)nc(NCCCC[NH3+])[nH+]1 ZINC000420229872 389968622 /nfs/dbraw/zinc/96/86/22/389968622.db2.gz HKXOZLLNEMFGBP-UHFFFAOYSA-N 2 2 252.366 0.634 20 0 CCADLP CC(C)c1nc(NCCCC[NH3+])nc(N(C)C)[nH+]1 ZINC000420229872 389968625 /nfs/dbraw/zinc/96/86/25/389968625.db2.gz HKXOZLLNEMFGBP-UHFFFAOYSA-N 2 2 252.366 0.634 20 0 CCADLP CCCCNc1cc(NCCCC[NH3+])nc(N)[nH+]1 ZINC000420231021 389969050 /nfs/dbraw/zinc/96/90/50/389969050.db2.gz JMQOKFLJPSFMSZ-UHFFFAOYSA-N 2 2 252.366 0.674 20 0 CCADLP CCCCNc1cc(NCCCC[NH3+])[nH+]c(N)n1 ZINC000420231021 389969051 /nfs/dbraw/zinc/96/90/51/389969051.db2.gz JMQOKFLJPSFMSZ-UHFFFAOYSA-N 2 2 252.366 0.674 20 0 CCADLP CC[NH2+]CCNC(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000419881956 389926855 /nfs/dbraw/zinc/92/68/55/389926855.db2.gz XAGIBIAIABEFQH-NSHDSACASA-N 2 2 293.371 0.189 20 0 CCADLP C[C@H](O)CNc1cc(N2CCC[C@]3(CC[NH2+]C3)C2)nc[nH+]1 ZINC000420251465 389973395 /nfs/dbraw/zinc/97/33/95/389973395.db2.gz LPIPISLXJSPWIB-SWLSCSKDSA-N 2 2 291.399 0.849 20 0 CCADLP C[C@H](O)CNc1cc(N2CCC[C@]3(CC[NH2+]C3)C2)[nH+]cn1 ZINC000420251465 389973397 /nfs/dbraw/zinc/97/33/97/389973397.db2.gz LPIPISLXJSPWIB-SWLSCSKDSA-N 2 2 291.399 0.849 20 0 CCADLP Cc1nc(N(C)C)nc(NC[C@@H]2CCC[C@H]([NH3+])C2)[nH+]1 ZINC000420281758 389977493 /nfs/dbraw/zinc/97/74/93/389977493.db2.gz MPAWBWPLZUEEPG-MNOVXSKESA-N 2 2 264.377 0.597 20 0 CCADLP Cc1nc(NC[C@@H]2CCC[C@H]([NH3+])C2)nc(N(C)C)[nH+]1 ZINC000420281758 389977495 /nfs/dbraw/zinc/97/74/95/389977495.db2.gz MPAWBWPLZUEEPG-MNOVXSKESA-N 2 2 264.377 0.597 20 0 CCADLP C[C@H]1CCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H]1C[NH3+] ZINC000420283591 389978080 /nfs/dbraw/zinc/97/80/80/389978080.db2.gz CGBBVCYMTWOOTR-KBPBESRZSA-N 3 2 282.432 0.210 20 0 CCADLP C[C@H]1CCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@H]1C[NH3+] ZINC000420283591 389978081 /nfs/dbraw/zinc/97/80/81/389978081.db2.gz CGBBVCYMTWOOTR-KBPBESRZSA-N 3 2 282.432 0.210 20 0 CCADLP Cc1cnc([C@@H](C)[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)o1 ZINC000420314717 389982742 /nfs/dbraw/zinc/98/27/42/389982742.db2.gz WCUDJTNDUIMZRT-OLZOCXBDSA-N 2 2 292.383 0.940 20 0 CCADLP Cc1cnc([C@@H](C)[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)o1 ZINC000420314717 389982745 /nfs/dbraw/zinc/98/27/45/389982745.db2.gz WCUDJTNDUIMZRT-OLZOCXBDSA-N 2 2 292.383 0.940 20 0 CCADLP C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000420317549 389982958 /nfs/dbraw/zinc/98/29/58/389982958.db2.gz VBMDTFLXBMKDFB-ULQDDVLXSA-N 3 2 291.439 0.991 20 0 CCADLP C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000420317549 389982959 /nfs/dbraw/zinc/98/29/59/389982959.db2.gz VBMDTFLXBMKDFB-ULQDDVLXSA-N 3 2 291.439 0.991 20 0 CCADLP C[N@@H+](CC(=O)NC1(c2ccccc2)CCC1)C[C@@H](O)C[NH3+] ZINC000420349881 389988231 /nfs/dbraw/zinc/98/82/31/389988231.db2.gz FALLJVAVHPRYGG-AWEZNQCLSA-N 2 2 291.395 0.433 20 0 CCADLP C[N@H+](CC(=O)NC1(c2ccccc2)CCC1)C[C@@H](O)C[NH3+] ZINC000420349881 389988233 /nfs/dbraw/zinc/98/82/33/389988233.db2.gz FALLJVAVHPRYGG-AWEZNQCLSA-N 2 2 291.395 0.433 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)NCCC[NH+]1CCCC1 ZINC000448599198 389988293 /nfs/dbraw/zinc/98/82/93/389988293.db2.gz YGFABNXAQBRFHO-CYBMUJFWSA-N 2 2 269.389 0.309 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)NCCC[NH+]1CCCC1 ZINC000448599198 389988297 /nfs/dbraw/zinc/98/82/97/389988297.db2.gz YGFABNXAQBRFHO-CYBMUJFWSA-N 2 2 269.389 0.309 20 0 CCADLP CSc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000420350481 389988525 /nfs/dbraw/zinc/98/85/25/389988525.db2.gz GZTHSNCWTWSXDO-ZYHUDNBSSA-N 2 2 297.424 0.987 20 0 CCADLP CSc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000420350481 389988527 /nfs/dbraw/zinc/98/85/27/389988527.db2.gz GZTHSNCWTWSXDO-ZYHUDNBSSA-N 2 2 297.424 0.987 20 0 CCADLP CC(C)CNC(=O)c1cccc(C[N@H+](C)C[C@H](O)C[NH3+])c1 ZINC000420351498 389988861 /nfs/dbraw/zinc/98/88/61/389988861.db2.gz KHIASIHJSVEFKC-OAHLLOKOSA-N 2 2 293.411 0.824 20 0 CCADLP CC(C)CNC(=O)c1cccc(C[N@@H+](C)C[C@H](O)C[NH3+])c1 ZINC000420351498 389988862 /nfs/dbraw/zinc/98/88/62/389988862.db2.gz KHIASIHJSVEFKC-OAHLLOKOSA-N 2 2 293.411 0.824 20 0 CCADLP CC(=O)[C@@H](NC(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C)C(C)C ZINC000420353053 389989388 /nfs/dbraw/zinc/98/93/88/389989388.db2.gz BHGIJGPPSUAWNX-AAEUAGOBSA-N 2 2 271.405 0.679 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420363565 389992576 /nfs/dbraw/zinc/99/25/76/389992576.db2.gz OABWKRQUGBTLAB-DTWKUNHWSA-N 2 2 258.366 0.184 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000449119309 389992674 /nfs/dbraw/zinc/99/26/74/389992674.db2.gz YAOCMNWCODGQIF-SRVKXCTJSA-N 2 2 269.389 0.352 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420362972 389992702 /nfs/dbraw/zinc/99/27/02/389992702.db2.gz NMBCWAKRIJFBSS-SNVBAGLBSA-N 2 2 272.393 0.431 20 0 CCADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000420364523 389992911 /nfs/dbraw/zinc/99/29/11/389992911.db2.gz PDJYPFNLNTVHPI-CYBMUJFWSA-N 2 2 299.440 0.928 20 0 CCADLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@H+](C)CC[NH3+])cc[nH+]1 ZINC000420367083 389993085 /nfs/dbraw/zinc/99/30/85/389993085.db2.gz GOHGSMHWVMFZIP-RYUDHWBXSA-N 3 2 296.394 0.350 20 0 CCADLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)CC[NH3+])cc[nH+]1 ZINC000420367083 389993086 /nfs/dbraw/zinc/99/30/86/389993086.db2.gz GOHGSMHWVMFZIP-RYUDHWBXSA-N 3 2 296.394 0.350 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+][C@@H]1CCN(C2CC2)C1=O ZINC000420372777 389994006 /nfs/dbraw/zinc/99/40/06/389994006.db2.gz QPRPLCYMMHUCRJ-FPQZTECRSA-N 2 2 251.374 0.726 20 0 CCADLP C[NH+]1CCN(C(=O)CC[NH2+][C@H](C[NH3+])C2CCCCC2)CC1 ZINC000420377334 389994521 /nfs/dbraw/zinc/99/45/21/389994521.db2.gz WDNDHNZAFNXJBS-OAHLLOKOSA-N 3 2 296.459 0.648 20 0 CCADLP C[NH2+]CCC[N@H+](C)CC(=O)NCc1ccc2c(c1)OCO2 ZINC000420391715 389996073 /nfs/dbraw/zinc/99/60/73/389996073.db2.gz UBWIUHJEFIUMKD-UHFFFAOYSA-N 2 2 293.367 0.573 20 0 CCADLP C[NH2+]CCC[N@@H+](C)CC(=O)NCc1ccc2c(c1)OCO2 ZINC000420391715 389996074 /nfs/dbraw/zinc/99/60/74/389996074.db2.gz UBWIUHJEFIUMKD-UHFFFAOYSA-N 2 2 293.367 0.573 20 0 CCADLP C[C@@H]1CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000420409740 389998152 /nfs/dbraw/zinc/99/81/52/389998152.db2.gz QRGMUBHLJGWXOA-IWCQGFGOSA-N 3 2 291.439 0.834 20 0 CCADLP C[C@@H]1CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000420409740 389998154 /nfs/dbraw/zinc/99/81/54/389998154.db2.gz QRGMUBHLJGWXOA-IWCQGFGOSA-N 3 2 291.439 0.834 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000451222285 390001199 /nfs/dbraw/zinc/00/11/99/390001199.db2.gz LPMOOTHJSUCGHH-KBXIAJHMSA-N 2 2 267.417 0.779 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000451222285 390001200 /nfs/dbraw/zinc/00/12/00/390001200.db2.gz LPMOOTHJSUCGHH-KBXIAJHMSA-N 2 2 267.417 0.779 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000453395862 390009542 /nfs/dbraw/zinc/00/95/42/390009542.db2.gz HXWJSVQNVKOKLD-MPKXVKKWSA-N 2 2 251.374 0.727 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000453395862 390009545 /nfs/dbraw/zinc/00/95/45/390009545.db2.gz HXWJSVQNVKOKLD-MPKXVKKWSA-N 2 2 251.374 0.727 20 0 CCADLP CC[C@@H](C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+](C)C ZINC000456207214 390013392 /nfs/dbraw/zinc/01/33/92/390013392.db2.gz SJKSOVPDGCQLPV-XQQFMLRXSA-N 2 2 269.389 0.306 20 0 CCADLP CC[C@@H](C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[NH+](C)C ZINC000456207214 390013395 /nfs/dbraw/zinc/01/33/95/390013395.db2.gz SJKSOVPDGCQLPV-XQQFMLRXSA-N 2 2 269.389 0.306 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CCN2C(=O)N[C@@H](C)C2=O)C1 ZINC000459360138 390073586 /nfs/dbraw/zinc/07/35/86/390073586.db2.gz QWKDLNFBCHNTJT-STQMWFEESA-N 2 2 296.415 0.590 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCN2C(=O)N[C@@H](C)C2=O)C1 ZINC000459360138 390073587 /nfs/dbraw/zinc/07/35/87/390073587.db2.gz QWKDLNFBCHNTJT-STQMWFEESA-N 2 2 296.415 0.590 20 0 CCADLP CNC(=O)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000487633648 390089048 /nfs/dbraw/zinc/08/90/48/390089048.db2.gz CGMDBGYVJDFORM-UHFFFAOYSA-N 2 2 282.432 0.223 20 0 CCADLP CC(C)[C@H]1CN(CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000487970815 390091132 /nfs/dbraw/zinc/09/11/32/390091132.db2.gz MDGJLDJVJWZLQT-CQSZACIVSA-N 2 2 255.406 0.591 20 0 CCADLP CC(C)[C@H]1CN(CC[NH+]2CCOCC2)CC[N@H+]1C ZINC000487970815 390091133 /nfs/dbraw/zinc/09/11/33/390091133.db2.gz MDGJLDJVJWZLQT-CQSZACIVSA-N 2 2 255.406 0.591 20 0 CCADLP Cc1nc(N(C)C2CC[NH+](CCO)CC2)nc(N(C)C)[nH+]1 ZINC000488364791 390093188 /nfs/dbraw/zinc/09/31/88/390093188.db2.gz HWCCOKZPWIUJKE-UHFFFAOYSA-N 2 2 294.403 0.139 20 0 CCADLP C[C@@H]1C[C@H]1C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000488537461 390094584 /nfs/dbraw/zinc/09/45/84/390094584.db2.gz QPURXLHMRKACBU-RDBSUJKOSA-N 2 2 281.400 0.165 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)NCCc1cn(C)c[nH+]1 ZINC000457861574 390050816 /nfs/dbraw/zinc/05/08/16/390050816.db2.gz PNLNUCBECLVJER-UHFFFAOYSA-N 2 2 273.340 0.854 20 0 CCADLP C[N@@H+]1CCC[C@H](CCNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000458183299 390053830 /nfs/dbraw/zinc/05/38/30/390053830.db2.gz FGYTXNBPAJKJTJ-CQSZACIVSA-N 2 2 297.443 0.945 20 0 CCADLP C[N@H+]1CCC[C@H](CCNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000458183299 390053831 /nfs/dbraw/zinc/05/38/31/390053831.db2.gz FGYTXNBPAJKJTJ-CQSZACIVSA-N 2 2 297.443 0.945 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000094647584 184833620 /nfs/dbraw/zinc/83/36/20/184833620.db2.gz HIKCCYKCYQJOBR-QJPTWQEYSA-N 2 2 250.346 0.776 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)NCCNc1cc[nH+]cc1 ZINC000459019885 390067478 /nfs/dbraw/zinc/06/74/78/390067478.db2.gz VDTJNCSCMKGIHK-UHFFFAOYSA-N 2 2 288.355 0.631 20 0 CCADLP CCOCCNC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815173 390179631 /nfs/dbraw/zinc/17/96/31/390179631.db2.gz SEKIYZJUIDZRPK-UHFFFAOYSA-N 2 2 269.389 0.356 20 0 CCADLP CCOCCNC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815173 390179635 /nfs/dbraw/zinc/17/96/35/390179635.db2.gz SEKIYZJUIDZRPK-UHFFFAOYSA-N 2 2 269.389 0.356 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)Nc1cc[nH+]c(N2CCOCC2)n1 ZINC000579537943 390182386 /nfs/dbraw/zinc/18/23/86/390182386.db2.gz NLAOZGYGSGYLPQ-GFCCVEGCSA-N 2 2 288.355 0.432 20 0 CCADLP COCc1noc([C@@H](C)[N@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000647836155 390186887 /nfs/dbraw/zinc/18/68/87/390186887.db2.gz CUYXZCMOAUAQHS-LLVKDONJSA-N 2 2 283.376 0.114 20 0 CCADLP COCc1noc([C@@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000647836155 390186890 /nfs/dbraw/zinc/18/68/90/390186890.db2.gz CUYXZCMOAUAQHS-LLVKDONJSA-N 2 2 283.376 0.114 20 0 CCADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1ncc(C2CC2)o1 ZINC000647836199 390187084 /nfs/dbraw/zinc/18/70/84/390187084.db2.gz NJCMGLGOSNVPQW-UHFFFAOYSA-N 2 2 264.373 0.889 20 0 CCADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ncc(C2CC2)o1 ZINC000647836199 390187085 /nfs/dbraw/zinc/18/70/85/390187085.db2.gz NJCMGLGOSNVPQW-UHFFFAOYSA-N 2 2 264.373 0.889 20 0 CCADLP C[NH+](C)C/C=C/C(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000493331841 390123567 /nfs/dbraw/zinc/12/35/67/390123567.db2.gz GQJQUFRHAGLLIQ-RGDDUWESSA-N 2 2 295.427 0.673 20 0 CCADLP C[NH+]1CCC(CCO)(NC(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493418630 390125219 /nfs/dbraw/zinc/12/52/19/390125219.db2.gz HXUSIHBEUZTXHU-NSCUHMNNSA-N 2 2 278.356 0.386 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)/C=C\c2[nH]cc[nH+]2)n1C ZINC000493496607 390127064 /nfs/dbraw/zinc/12/70/64/390127064.db2.gz XFSNVDGBDMJYSV-PLNGDYQASA-N 2 2 274.328 0.539 20 0 CCADLP C[N@H+](CCC[NH3+])CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000647848094 390191442 /nfs/dbraw/zinc/19/14/42/390191442.db2.gz DEOHAWPENJPTPP-CHWSQXEVSA-N 2 2 269.389 0.437 20 0 CCADLP C[N@@H+](CCC[NH3+])CC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000647848094 390191444 /nfs/dbraw/zinc/19/14/44/390191444.db2.gz DEOHAWPENJPTPP-CHWSQXEVSA-N 2 2 269.389 0.437 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000493890059 390131999 /nfs/dbraw/zinc/13/19/99/390131999.db2.gz AGFSFYNBRDCINX-VHSXEESVSA-N 2 2 250.346 0.747 20 0 CCADLP C[N@@H+]1CCC[C@H](CNC(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000536107162 390157743 /nfs/dbraw/zinc/15/77/43/390157743.db2.gz MAWBQERFIHVPFS-CQSZACIVSA-N 2 2 295.427 0.699 20 0 CCADLP C[N@H+]1CCC[C@H](CNC(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000536107162 390157748 /nfs/dbraw/zinc/15/77/48/390157748.db2.gz MAWBQERFIHVPFS-CQSZACIVSA-N 2 2 295.427 0.699 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536369350 390160359 /nfs/dbraw/zinc/16/03/59/390160359.db2.gz NSPOJTSMLJQHRS-JTQLQIEISA-N 2 2 291.355 0.541 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC2(C3CC3)CCC2)[C@H](C[NH3+])C1 ZINC000579333192 390162666 /nfs/dbraw/zinc/16/26/66/390162666.db2.gz ZBWGWBCMXBAAJQ-CYBMUJFWSA-N 2 2 280.416 0.851 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC2(C3CC3)CCC2)[C@H](C[NH3+])C1 ZINC000579333192 390162668 /nfs/dbraw/zinc/16/26/68/390162668.db2.gz ZBWGWBCMXBAAJQ-CYBMUJFWSA-N 2 2 280.416 0.851 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000647845760 390190608 /nfs/dbraw/zinc/19/06/08/390190608.db2.gz JRGMUQBDIAPXJS-NWDGAFQWSA-N 2 2 274.430 0.870 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000647845760 390190611 /nfs/dbraw/zinc/19/06/11/390190611.db2.gz JRGMUQBDIAPXJS-NWDGAFQWSA-N 2 2 274.430 0.870 20 0 CCADLP COCCC[N@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC000647873522 390202442 /nfs/dbraw/zinc/20/24/42/390202442.db2.gz VPOJKEYZNNZCNB-STQMWFEESA-N 2 2 290.429 0.122 20 0 CCADLP COCCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC000647873522 390202443 /nfs/dbraw/zinc/20/24/43/390202443.db2.gz VPOJKEYZNNZCNB-STQMWFEESA-N 2 2 290.429 0.122 20 0 CCADLP Cc1[nH+]cc2n1C[C@H](C(=O)NCCc1c[nH+]cn1C)CC2 ZINC000579721704 390203097 /nfs/dbraw/zinc/20/30/97/390203097.db2.gz BUXCWUKDPQOGHS-GFCCVEGCSA-N 2 2 287.367 0.846 20 0 CCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NCCc1c[nH+]cn1C)CC2 ZINC000579721713 390203143 /nfs/dbraw/zinc/20/31/43/390203143.db2.gz BUXCWUKDPQOGHS-LBPRGKRZSA-N 2 2 287.367 0.846 20 0 CCADLP C[C@H](CS(C)(=O)=O)[N@H+](C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000647885727 390206963 /nfs/dbraw/zinc/20/69/63/390206963.db2.gz KAAUVUUGSZICAI-GHMZBOCLSA-N 2 2 260.403 0.493 20 0 CCADLP C[C@H](CS(C)(=O)=O)[N@@H+](C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000647885727 390206966 /nfs/dbraw/zinc/20/69/66/390206966.db2.gz KAAUVUUGSZICAI-GHMZBOCLSA-N 2 2 260.403 0.493 20 0 CCADLP CCn1nc2c(cc1=O)C[N@@H+](C[C@H]1CC[NH2+]C1)CC2 ZINC000647891570 390209656 /nfs/dbraw/zinc/20/96/56/390209656.db2.gz SLHNOCIGTLCZMH-NSHDSACASA-N 2 2 262.357 0.231 20 0 CCADLP CCn1nc2c(cc1=O)C[N@H+](C[C@H]1CC[NH2+]C1)CC2 ZINC000647891570 390209659 /nfs/dbraw/zinc/20/96/59/390209659.db2.gz SLHNOCIGTLCZMH-NSHDSACASA-N 2 2 262.357 0.231 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903984 390212864 /nfs/dbraw/zinc/21/28/64/390212864.db2.gz UNWJDMZLHJJPOW-OLZOCXBDSA-N 2 2 289.445 0.390 20 0 CCADLP CCS(=O)(=O)NCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903984 390212868 /nfs/dbraw/zinc/21/28/68/390212868.db2.gz UNWJDMZLHJJPOW-OLZOCXBDSA-N 2 2 289.445 0.390 20 0 CCADLP CC[C@H]1C[N@H+](Cc2cc(=O)n3[nH]ccc3n2)CC[C@@H]1[NH3+] ZINC000647936561 390222796 /nfs/dbraw/zinc/22/27/96/390222796.db2.gz HDUPKIUDGMFCCS-JQWIXIFHSA-N 2 2 275.356 0.582 20 0 CCADLP CC[C@H]1C[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)CC[C@@H]1[NH3+] ZINC000647936561 390222799 /nfs/dbraw/zinc/22/27/99/390222799.db2.gz HDUPKIUDGMFCCS-JQWIXIFHSA-N 2 2 275.356 0.582 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCCC(C)(F)F)[C@@H](C[NH3+])C1 ZINC000580173615 390225446 /nfs/dbraw/zinc/22/54/46/390225446.db2.gz MMCHPTIPPJOPLL-JTQLQIEISA-N 2 2 278.347 0.706 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCCC(C)(F)F)[C@@H](C[NH3+])C1 ZINC000580173615 390225448 /nfs/dbraw/zinc/22/54/48/390225448.db2.gz MMCHPTIPPJOPLL-JTQLQIEISA-N 2 2 278.347 0.706 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1CCC[NH+]1CCOCC1 ZINC000647953458 390226312 /nfs/dbraw/zinc/22/63/12/390226312.db2.gz BEVXBIYXAXKNSF-AWEZNQCLSA-N 2 2 255.406 0.735 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1CCC[NH+]1CCOCC1 ZINC000647953458 390226315 /nfs/dbraw/zinc/22/63/15/390226315.db2.gz BEVXBIYXAXKNSF-AWEZNQCLSA-N 2 2 255.406 0.735 20 0 CCADLP CC(C)c1nc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc[nH+]1 ZINC000579613351 390192571 /nfs/dbraw/zinc/19/25/71/390192571.db2.gz MJJKLUNSENODBC-WDEREUQCSA-N 2 2 275.356 0.348 20 0 CCADLP O[C@@H](CNc1[nH+]ccc2[nH]ccc21)C[NH+]1CCOCC1 ZINC000647849908 390192730 /nfs/dbraw/zinc/19/27/30/390192730.db2.gz QCOQWIACTRFIGB-NSHDSACASA-N 2 2 276.340 0.668 20 0 CCADLP COc1ccc(CNC(=O)C[N@H+](C)CCC[NH3+])cc1OC ZINC000647850198 390193017 /nfs/dbraw/zinc/19/30/17/390193017.db2.gz ZMKWQVJCNDOOBZ-UHFFFAOYSA-N 2 2 295.383 0.601 20 0 CCADLP COc1ccc(CNC(=O)C[N@@H+](C)CCC[NH3+])cc1OC ZINC000647850198 390193021 /nfs/dbraw/zinc/19/30/21/390193021.db2.gz ZMKWQVJCNDOOBZ-UHFFFAOYSA-N 2 2 295.383 0.601 20 0 CCADLP C[C@@H](CNC(=O)CC[C@H]1CCC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000494700830 390194717 /nfs/dbraw/zinc/19/47/17/390194717.db2.gz 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390197653 /nfs/dbraw/zinc/19/76/53/390197653.db2.gz YOKBAVZXSIANAB-CYBMUJFWSA-N 2 2 284.404 0.008 20 0 CCADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](O)CC(F)(F)F ZINC000580327296 390239286 /nfs/dbraw/zinc/23/92/86/390239286.db2.gz FXZWIZQICWIORF-MNOVXSKESA-N 2 2 284.322 0.736 20 0 CCADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](O)CC(F)(F)F ZINC000580327296 390239288 /nfs/dbraw/zinc/23/92/88/390239288.db2.gz FXZWIZQICWIORF-MNOVXSKESA-N 2 2 284.322 0.736 20 0 CCADLP C[C@H]([NH3+])CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000647990042 390240173 /nfs/dbraw/zinc/24/01/73/390240173.db2.gz VBWABTGTMOONCZ-RDGKXADDSA-N 3 2 266.433 0.576 20 0 CCADLP C[C@H]([NH3+])CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000647990042 390240175 /nfs/dbraw/zinc/24/01/75/390240175.db2.gz VBWABTGTMOONCZ-RDGKXADDSA-N 3 2 266.433 0.576 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](O)[C@H]2CCCO2)n1C ZINC000527759221 285366000 /nfs/dbraw/zinc/36/60/00/285366000.db2.gz ZYGUGHIQABNCBN-NWDGAFQWSA-N 2 2 268.361 0.116 20 0 CCADLP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccc(Cl)o2)CC1 ZINC000644519150 390243086 /nfs/dbraw/zinc/24/30/86/390243086.db2.gz BHDJGBFPIVZCDS-LLVKDONJSA-N 2 2 287.791 0.631 20 0 CCADLP Cc1nc(NCC2(C)CC[NH+](C)CC2)nc(N(C)C)[nH+]1 ZINC000543727423 390289985 /nfs/dbraw/zinc/28/99/85/390289985.db2.gz HMRVOMFMPHIXGT-UHFFFAOYSA-N 2 2 278.404 0.812 20 0 CCADLP Cc1nc(N(C)C)nc(NCC2(C)CC[NH+](C)CC2)[nH+]1 ZINC000543727423 390289986 /nfs/dbraw/zinc/28/99/86/390289986.db2.gz HMRVOMFMPHIXGT-UHFFFAOYSA-N 2 2 278.404 0.812 20 0 CCADLP CN1C[C@@H](C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)OC1=O ZINC000496054322 390290216 /nfs/dbraw/zinc/29/02/16/390290216.db2.gz BNXABOITZRQIIP-OLZOCXBDSA-N 2 2 267.373 0.855 20 0 CCADLP CN1C[C@@H](C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)OC1=O ZINC000496054322 390290219 /nfs/dbraw/zinc/29/02/19/390290219.db2.gz BNXABOITZRQIIP-OLZOCXBDSA-N 2 2 267.373 0.855 20 0 CCADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCCCS2(=O)=O)n1C ZINC000583576003 390295530 /nfs/dbraw/zinc/29/55/30/390295530.db2.gz ZCBRDRJDIJLMTF-LBPRGKRZSA-N 2 2 271.386 0.785 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)CC[C@@H]1[NH3+] ZINC000648126427 390296339 /nfs/dbraw/zinc/29/63/39/390296339.db2.gz JBNCKFUWHCIFRD-MJBXVCDLSA-N 2 2 282.432 0.208 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1CC(=O)N(C2CC2)C1 ZINC000582067367 390257956 /nfs/dbraw/zinc/25/79/56/390257956.db2.gz QMMFLPUBXQMXIM-MDZLAQPJSA-N 2 2 251.374 0.537 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1CC(=O)N(C2CC2)C1 ZINC000582067367 390257958 /nfs/dbraw/zinc/25/79/58/390257958.db2.gz QMMFLPUBXQMXIM-MDZLAQPJSA-N 2 2 251.374 0.537 20 0 CCADLP CC(C)[NH+]1CCC([NH2+]C[C@@H](C)S(C)(=O)=O)CC1 ZINC000544003006 390297709 /nfs/dbraw/zinc/29/77/09/390297709.db2.gz UDOZSROVZBSAGW-LLVKDONJSA-N 2 2 262.419 0.882 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+][C@H]2CCCOC2)C[C@@H](C)O1 ZINC000644648514 390276035 /nfs/dbraw/zinc/27/60/35/390276035.db2.gz MVRBHBIEAGSKHO-MQYQWHSLSA-N 2 2 272.389 0.225 20 0 CCADLP c1c[nH+]c(CN2CC[NH+](Cc3c[nH]c4nccnc34)CC2)[nH]1 ZINC000583665711 390303281 /nfs/dbraw/zinc/30/32/81/390303281.db2.gz KCEPMYGJZNOMJD-UHFFFAOYSA-N 2 2 297.366 0.950 20 0 CCADLP C[NH2+]CCC(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000648172502 390327071 /nfs/dbraw/zinc/32/70/71/390327071.db2.gz XNZJPQOZPUXUDT-UHFFFAOYSA-N 2 2 250.346 0.787 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)n1C ZINC000583945815 390327555 /nfs/dbraw/zinc/32/75/55/390327555.db2.gz HKMHXWAMWXHCQD-GFCCVEGCSA-N 3 2 265.405 0.454 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@]2(C)CCCS2)[C@@H](C[NH3+])C1 ZINC000584400323 390339676 /nfs/dbraw/zinc/33/96/76/390339676.db2.gz YGLYTEOVFUMVEO-AAEUAGOBSA-N 2 2 286.445 0.556 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@]2(C)CCCS2)[C@@H](C[NH3+])C1 ZINC000584400323 390339679 /nfs/dbraw/zinc/33/96/79/390339679.db2.gz YGLYTEOVFUMVEO-AAEUAGOBSA-N 2 2 286.445 0.556 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cnc(N3CCCC3)nc2)C1 ZINC000546563831 390350220 /nfs/dbraw/zinc/35/02/20/390350220.db2.gz OSLMKEAEHKKUAS-HNNXBMFYSA-N 2 2 291.399 0.233 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cnc(N3CCCC3)nc2)C1 ZINC000546563831 390350224 /nfs/dbraw/zinc/35/02/24/390350224.db2.gz OSLMKEAEHKKUAS-HNNXBMFYSA-N 2 2 291.399 0.233 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[N@H+](C)C1CC1 ZINC000547868197 390406881 /nfs/dbraw/zinc/40/68/81/390406881.db2.gz QTQBPDPBHJIPSA-JTQLQIEISA-N 2 2 250.346 0.562 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[N@@H+](C)C1CC1 ZINC000547868197 390406883 /nfs/dbraw/zinc/40/68/83/390406883.db2.gz QTQBPDPBHJIPSA-JTQLQIEISA-N 2 2 250.346 0.562 20 0 CCADLP Cn1ccnc1[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CC1 ZINC000547928915 390409543 /nfs/dbraw/zinc/40/95/43/390409543.db2.gz FZKRUUSADQBSEA-JSGCOSHPSA-N 2 2 264.373 0.527 20 0 CCADLP Cn1ccnc1[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CC1 ZINC000547928915 390409544 /nfs/dbraw/zinc/40/95/44/390409544.db2.gz FZKRUUSADQBSEA-JSGCOSHPSA-N 2 2 264.373 0.527 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccncc1N ZINC000641716223 390419950 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Nc1nc(N[C@@H]2CCn3cc[nH+]c3C2)c2c([nH+]1)CCCC2 ZINC000645215513 390389363 /nfs/dbraw/zinc/38/93/63/390389363.db2.gz XPGAFHYMKWKEKC-SNVBAGLBSA-N 2 2 284.367 0.813 20 0 CCADLP CS(=O)(=O)CC1(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000517743132 390491157 /nfs/dbraw/zinc/49/11/57/390491157.db2.gz QATWFDQWOGLJLI-NWDGAFQWSA-N 2 2 272.414 0.353 20 0 CCADLP CS(=O)(=O)CC1(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000517743132 390491158 /nfs/dbraw/zinc/49/11/58/390491158.db2.gz QATWFDQWOGLJLI-NWDGAFQWSA-N 2 2 272.414 0.353 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC000645776002 390492934 /nfs/dbraw/zinc/49/29/34/390492934.db2.gz UTQXHSDKQBKKRX-CQSZACIVSA-N 2 2 283.416 0.509 20 0 CCADLP Cc1c[nH+]ccc1CCN1CC[NH+](C[C@@H](C)O)CC1 ZINC000645791547 390494600 /nfs/dbraw/zinc/49/46/00/390494600.db2.gz NSZSRCDTILGTIW-CQSZACIVSA-N 2 2 263.385 0.931 20 0 CCADLP CCCCOCCCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000565411496 390510385 /nfs/dbraw/zinc/51/03/85/390510385.db2.gz ZDSRURKHTOPAMC-ZDUSSCGKSA-N 2 2 286.420 0.478 20 0 CCADLP CCCCOCCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000565411496 390510388 /nfs/dbraw/zinc/51/03/88/390510388.db2.gz ZDSRURKHTOPAMC-ZDUSSCGKSA-N 2 2 286.420 0.478 20 0 CCADLP CCC1(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1 ZINC000519592586 390513267 /nfs/dbraw/zinc/51/32/67/390513267.db2.gz NLTCDFVIIKIIEK-LLVKDONJSA-N 2 2 254.378 0.461 20 0 CCADLP CCC1(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1 ZINC000519592586 390513274 /nfs/dbraw/zinc/51/32/74/390513274.db2.gz NLTCDFVIIKIIEK-LLVKDONJSA-N 2 2 254.378 0.461 20 0 CCADLP Cc1cc(C)c(CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])c[nH+]1 ZINC000519592888 390513678 /nfs/dbraw/zinc/51/36/78/390513678.db2.gz ONYKFMRYVIFCTR-AWEZNQCLSA-N 2 2 291.399 0.483 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000555242997 390449655 /nfs/dbraw/zinc/44/96/55/390449655.db2.gz CDABFNVYVWFITK-UHFFFAOYSA-N 2 2 276.384 0.953 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000643472121 390451648 /nfs/dbraw/zinc/45/16/48/390451648.db2.gz UBINSECDDDBLMN-KWCYVHTRSA-N 2 2 278.400 0.840 20 0 CCADLP CCCN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@H+](C)C1 ZINC000648997903 390464507 /nfs/dbraw/zinc/46/45/07/390464507.db2.gz ZWSJIGDZSBZCIF-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP CCCN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@@H+](C)C1 ZINC000648997903 390464511 /nfs/dbraw/zinc/46/45/11/390464511.db2.gz ZWSJIGDZSBZCIF-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2cn3cc(C)ccc3[nH+]2)C1 ZINC000645661723 390468220 /nfs/dbraw/zinc/46/82/20/390468220.db2.gz HNSMWAJFLNFISE-QWHCGFSZSA-N 2 2 288.351 0.636 20 0 CCADLP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)CO2 ZINC000515346516 390474346 /nfs/dbraw/zinc/47/43/46/390474346.db2.gz HPQWSCRQKPJHII-GXTWGEPZSA-N 2 2 278.352 0.577 20 0 CCADLP C[N@@H+]1CCCC(C)(C)[C@H]1CNC[C@@H](O)C[NH+]1CCOCC1 ZINC000520568967 390580514 /nfs/dbraw/zinc/58/05/14/390580514.db2.gz OANQLTLGXVKJLG-HUUCEWRRSA-N 2 2 299.459 0.390 20 0 CCADLP C[N@H+]1CCCC(C)(C)[C@H]1CNC[C@@H](O)C[NH+]1CCOCC1 ZINC000520568967 390580517 /nfs/dbraw/zinc/58/05/17/390580517.db2.gz OANQLTLGXVKJLG-HUUCEWRRSA-N 2 2 299.459 0.390 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)COC1CCC([NH3+])CC1 ZINC000520574155 390581717 /nfs/dbraw/zinc/58/17/17/390581717.db2.gz QBILBSHUHOEBAI-HSBZDZAISA-N 2 2 299.415 0.110 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCCNc2cccc[nH+]2)CC[N@@H+]1C ZINC000649208840 390523539 /nfs/dbraw/zinc/52/35/39/390523539.db2.gz OVLQRFRTDUOIPV-VXGBXAGGSA-N 2 2 262.357 0.950 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCCNc2cccc[nH+]2)CC[N@H+]1C ZINC000649208840 390523542 /nfs/dbraw/zinc/52/35/42/390523542.db2.gz OVLQRFRTDUOIPV-VXGBXAGGSA-N 2 2 262.357 0.950 20 0 CCADLP CN(CC[NH+](C)C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649213158 390524341 /nfs/dbraw/zinc/52/43/41/390524341.db2.gz DPLJJYDPBMJTOT-LLVKDONJSA-N 2 2 250.346 0.466 20 0 CCADLP CN(CC[NH+]1CCCC1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000649211160 390524435 /nfs/dbraw/zinc/52/44/35/390524435.db2.gz MYQNBUHEPIBNBC-ZDUSSCGKSA-N 2 2 276.384 1.000 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000565666089 390534901 /nfs/dbraw/zinc/53/49/01/390534901.db2.gz OSMXBXFQCYUKOA-XQLPTFJDSA-N 2 2 286.416 0.567 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000565666089 390534903 /nfs/dbraw/zinc/53/49/03/390534903.db2.gz OSMXBXFQCYUKOA-XQLPTFJDSA-N 2 2 286.416 0.567 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000565666089 390534906 /nfs/dbraw/zinc/53/49/06/390534906.db2.gz OSMXBXFQCYUKOA-XQLPTFJDSA-N 2 2 286.416 0.567 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000565666089 390534908 /nfs/dbraw/zinc/53/49/08/390534908.db2.gz OSMXBXFQCYUKOA-XQLPTFJDSA-N 2 2 286.416 0.567 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCSC[C@@H]1CO ZINC000519756488 390538230 /nfs/dbraw/zinc/53/82/30/390538230.db2.gz CCGJVGUXCKQRPX-LBPRGKRZSA-N 2 2 255.387 0.762 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCSC[C@@H]1CO ZINC000519756488 390538233 /nfs/dbraw/zinc/53/82/33/390538233.db2.gz CCGJVGUXCKQRPX-LBPRGKRZSA-N 2 2 255.387 0.762 20 0 CCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649281268 390548377 /nfs/dbraw/zinc/54/83/77/390548377.db2.gz XENFVHIXSMFCHC-JYAVWHMHSA-N 2 2 284.363 0.926 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000645962174 390551589 /nfs/dbraw/zinc/55/15/89/390551589.db2.gz SEVQOBGWBAUPLP-LBPRGKRZSA-N 2 2 269.389 0.165 20 0 CCADLP CC(C)([NH3+])c1nocc1C(=O)NCCC[NH+]1CCOCC1 ZINC000519833649 390553006 /nfs/dbraw/zinc/55/30/06/390553006.db2.gz PNYAHRXDBUZMKQ-UHFFFAOYSA-N 2 2 296.371 0.321 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CCO1 ZINC000565895801 390557091 /nfs/dbraw/zinc/55/70/91/390557091.db2.gz VVGNAAWJTNLFDY-VNHYZAJKSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CCO1 ZINC000565895801 390557092 /nfs/dbraw/zinc/55/70/92/390557092.db2.gz VVGNAAWJTNLFDY-VNHYZAJKSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@H](CNC(=O)[C@H]1[NH2+]CC1(C)C)Cn1cc[nH+]c1 ZINC000649302520 390561597 /nfs/dbraw/zinc/56/15/97/390561597.db2.gz WLDHJDTYEXOMST-GHMZBOCLSA-N 2 2 250.346 0.633 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2C[NH2+]CCC2(F)F)CCO1 ZINC000649312384 390570881 /nfs/dbraw/zinc/57/08/81/390570881.db2.gz LEUUTBCDZWOPIF-QWRGUYRKSA-N 2 2 291.342 0.068 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2C[NH2+]CCC2(F)F)CCO1 ZINC000649312384 390570887 /nfs/dbraw/zinc/57/08/87/390570887.db2.gz LEUUTBCDZWOPIF-QWRGUYRKSA-N 2 2 291.342 0.068 20 0 CCADLP C[NH+](C)C[C@@H](CO)NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000646209177 390633393 /nfs/dbraw/zinc/63/33/93/390633393.db2.gz YTWXLSARJLEFCL-NSHDSACASA-N 2 2 293.358 0.002 20 0 CCADLP Cc1cc(NCC[N@@H+]2CCO[C@@H](C)C2)nc(C)[nH+]1 ZINC000523463100 390637695 /nfs/dbraw/zinc/63/76/95/390637695.db2.gz LMHFMYUKRUVKDS-NSHDSACASA-N 2 2 250.346 0.648 20 0 CCADLP Cc1cc(NCC[N@H+]2CCO[C@@H](C)C2)nc(C)[nH+]1 ZINC000523463100 390637697 /nfs/dbraw/zinc/63/76/97/390637697.db2.gz LMHFMYUKRUVKDS-NSHDSACASA-N 2 2 250.346 0.648 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000646216397 390639060 /nfs/dbraw/zinc/63/90/60/390639060.db2.gz ZQGRVZUAKQAWHY-AVGNSLFASA-N 2 2 286.420 0.474 20 0 CCADLP C[C@@H]1SCC[C@@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000646233636 390645777 /nfs/dbraw/zinc/64/57/77/390645777.db2.gz JIJIHRYXTNKWAA-DCAQKATOSA-N 2 2 272.418 0.165 20 0 CCADLP COCC[NH2+]C1CC[NH+](CCN2CCO[C@@H](C)C2)CC1 ZINC000566801661 390649576 /nfs/dbraw/zinc/64/95/76/390649576.db2.gz AXLCPRUWFSKLOX-AWEZNQCLSA-N 2 2 285.432 0.408 20 0 CCADLP CCC1(O)CC[NH+](C[C@H](O)C[N@H+](C)CCOC)CC1 ZINC000566414862 390599329 /nfs/dbraw/zinc/59/93/29/390599329.db2.gz SSJBSVAANNJZDV-CYBMUJFWSA-N 2 2 274.405 0.162 20 0 CCADLP CCC1(O)CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)CC1 ZINC000566414862 390599335 /nfs/dbraw/zinc/59/93/35/390599335.db2.gz SSJBSVAANNJZDV-CYBMUJFWSA-N 2 2 274.405 0.162 20 0 CCADLP [NH3+][C@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1cscn1 ZINC000521231401 390600485 /nfs/dbraw/zinc/60/04/85/390600485.db2.gz JEBQRXUBVRWNRP-ONGXEEELSA-N 2 2 266.370 0.450 20 0 CCADLP [NH3+][C@H](C(=O)N1CC[N@H+]2CCC[C@H]2C1)c1cscn1 ZINC000521231401 390600490 /nfs/dbraw/zinc/60/04/90/390600490.db2.gz JEBQRXUBVRWNRP-ONGXEEELSA-N 2 2 266.370 0.450 20 0 CCADLP CC1(C)C[C@@H]([NH2+]CCCCN2CC[NH+](CCO)CC2)CO1 ZINC000521273282 390602534 /nfs/dbraw/zinc/60/25/34/390602534.db2.gz NMKJGFNCVGGMPI-OAHLLOKOSA-N 2 2 299.459 0.534 20 0 CCADLP CC(C)[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 ZINC000643960345 390608990 /nfs/dbraw/zinc/60/89/90/390608990.db2.gz TUJJXEHAGVYPLR-YIYPIFLZSA-N 2 2 256.390 0.581 20 0 CCADLP CC(C)[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1 ZINC000643960345 390608994 /nfs/dbraw/zinc/60/89/94/390608994.db2.gz TUJJXEHAGVYPLR-YIYPIFLZSA-N 2 2 256.390 0.581 20 0 CCADLP C[N@@H+]1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)[C@H](C[NH3+])C1 ZINC000571387549 390733244 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C[C@H]1CC[N@@H+](CCNC(=O)CCc2c[nH+]cn2C)C1 ZINC000527248773 390698269 /nfs/dbraw/zinc/69/82/69/390698269.db2.gz FVEAONOFRGSTSP-LBPRGKRZSA-N 2 2 264.373 0.811 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C[C@H]2CCCC[C@@H]2O)C1 ZINC000571810549 390754491 /nfs/dbraw/zinc/75/44/91/390754491.db2.gz DNEUXVKUOZIIKS-KFWWJZLASA-N 2 2 295.427 0.434 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](C[C@H]2CCCC[C@@H]2O)C1 ZINC000571810549 390754493 /nfs/dbraw/zinc/75/44/93/390754493.db2.gz DNEUXVKUOZIIKS-KFWWJZLASA-N 2 2 295.427 0.434 20 0 CCADLP C[C@@H](CC(=O)NCC[N@@H+]1CCO[C@H](C)C1)C1CC[NH2+]CC1 ZINC000571804505 390754672 /nfs/dbraw/zinc/75/46/72/390754672.db2.gz SIPSISYFLXGDHB-UONOGXRCSA-N 2 2 297.443 0.849 20 0 CCADLP C[C@@H](CC(=O)NCC[N@H+]1CCO[C@H](C)C1)C1CC[NH2+]CC1 ZINC000571804505 390754674 /nfs/dbraw/zinc/75/46/74/390754674.db2.gz SIPSISYFLXGDHB-UONOGXRCSA-N 2 2 297.443 0.849 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@@](C)([NH3+])c2ccccc2)CCO1 ZINC000572003269 390763136 /nfs/dbraw/zinc/76/31/36/390763136.db2.gz MAPXUMFDRZTVIR-BBRMVZONSA-N 2 2 291.395 0.697 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@](C)([NH3+])c2ccccc2)CCO1 ZINC000572003269 390763139 /nfs/dbraw/zinc/76/31/39/390763139.db2.gz MAPXUMFDRZTVIR-BBRMVZONSA-N 2 2 291.395 0.697 20 0 CCADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cncnc2OC)C1 ZINC000647172084 390782178 /nfs/dbraw/zinc/78/21/78/390782178.db2.gz HOOADKFDOMGQMW-NSHDSACASA-N 2 2 250.346 0.917 20 0 CCADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cncnc2OC)C1 ZINC000647172084 390782180 /nfs/dbraw/zinc/78/21/80/390782180.db2.gz HOOADKFDOMGQMW-NSHDSACASA-N 2 2 250.346 0.917 20 0 CCADLP Oc1cc(F)cc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)c1 ZINC000572464042 390784324 /nfs/dbraw/zinc/78/43/24/390784324.db2.gz AQGROLHPXHCJGL-ZDUSSCGKSA-N 2 2 254.305 0.999 20 0 CCADLP C[C@@H]1CC[C@H](CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000572519778 390787617 /nfs/dbraw/zinc/78/76/17/390787617.db2.gz VSTLTFMTLPALDB-FRRDWIJNSA-N 2 2 253.390 0.914 20 0 CCADLP C[C@@H]1CC[C@H](CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000572519778 390787619 /nfs/dbraw/zinc/78/76/19/390787619.db2.gz VSTLTFMTLPALDB-FRRDWIJNSA-N 2 2 253.390 0.914 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCc2ccsc2)[C@@H](C[NH3+])C1 ZINC000572585554 390790586 /nfs/dbraw/zinc/79/05/86/390790586.db2.gz ZVNCMQINGYJPHG-NSHDSACASA-N 2 2 268.386 0.532 20 0 CCADLP C[N@H+]1CCN(C(=O)NCc2ccsc2)[C@@H](C[NH3+])C1 ZINC000572585554 390790589 /nfs/dbraw/zinc/79/05/89/390790589.db2.gz ZVNCMQINGYJPHG-NSHDSACASA-N 2 2 268.386 0.532 20 0 CCADLP CC(C)[C@H]1C[NH2+]CCN1C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000529290718 390802233 /nfs/dbraw/zinc/80/22/33/390802233.db2.gz KTDPDMHKNHETNV-CHWSQXEVSA-N 2 2 279.388 0.911 20 0 CCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000529301891 390803329 /nfs/dbraw/zinc/80/33/29/390803329.db2.gz JMDWFOXPTJYLCS-KGLIPLIRSA-N 2 2 298.431 0.347 20 0 CCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000529301891 390803330 /nfs/dbraw/zinc/80/33/30/390803330.db2.gz JMDWFOXPTJYLCS-KGLIPLIRSA-N 2 2 298.431 0.347 20 0 CCADLP C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC000646924074 390741906 /nfs/dbraw/zinc/74/19/06/390741906.db2.gz AFRPXUHDKSXNAF-RWMBFGLXSA-N 2 2 274.368 0.608 20 0 CCADLP C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC000646924074 390741908 /nfs/dbraw/zinc/74/19/08/390741908.db2.gz AFRPXUHDKSXNAF-RWMBFGLXSA-N 2 2 274.368 0.608 20 0 CCADLP CN(CC(C)(C)C)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000577955696 390855244 /nfs/dbraw/zinc/85/52/44/390855244.db2.gz DMWXMHWBBLVYGZ-LLVKDONJSA-N 2 2 256.394 0.659 20 0 CCADLP CN(CC(C)(C)C)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000577955696 390855246 /nfs/dbraw/zinc/85/52/46/390855246.db2.gz DMWXMHWBBLVYGZ-LLVKDONJSA-N 2 2 256.394 0.659 20 0 CCADLP Cc1nc(CN2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)no1 ZINC000578132042 390866006 /nfs/dbraw/zinc/86/60/06/390866006.db2.gz JINNVPVCNWEDJF-ZDUSSCGKSA-N 2 2 279.388 0.495 20 0 CCADLP C[C@@H]1CN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)[C@@H](C)C[NH2+]1 ZINC000572958214 390813056 /nfs/dbraw/zinc/81/30/56/390813056.db2.gz NQSCCZHWKCWSCC-VWYCJHECSA-N 2 2 277.372 0.309 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3ccc(F)cc3F)CCN2C1=O ZINC000572985682 390816531 /nfs/dbraw/zinc/81/65/31/390816531.db2.gz LCSQGLSWRCWZGO-DGCLKSJQSA-N 2 2 281.306 0.709 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3ccc(F)cc3F)CCN2C1=O ZINC000572985682 390816532 /nfs/dbraw/zinc/81/65/32/390816532.db2.gz LCSQGLSWRCWZGO-DGCLKSJQSA-N 2 2 281.306 0.709 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC2CC=CC2)[C@@H](C[NH3+])C1 ZINC000529351866 390816935 /nfs/dbraw/zinc/81/69/35/390816935.db2.gz YWRJKIUYSNLNRC-LBPRGKRZSA-N 2 2 252.362 0.237 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC2CC=CC2)[C@@H](C[NH3+])C1 ZINC000529351866 390816937 /nfs/dbraw/zinc/81/69/37/390816937.db2.gz YWRJKIUYSNLNRC-LBPRGKRZSA-N 2 2 252.362 0.237 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@H]([NH3+])CC(F)F)CC2)cc[nH+]1 ZINC000572999370 390818106 /nfs/dbraw/zinc/81/81/06/390818106.db2.gz UACUGHJRTOTING-SNVBAGLBSA-N 2 2 299.325 0.416 20 0 CCADLP O=C(NC[C@H]1COCC[NH2+]1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000529381673 390825328 /nfs/dbraw/zinc/82/53/28/390825328.db2.gz QXJFWEWZKCGMJT-RYUDHWBXSA-N 2 2 293.371 0.287 20 0 CCADLP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)C1 ZINC000647515928 390827832 /nfs/dbraw/zinc/82/78/32/390827832.db2.gz BLEVYGDGRDABCG-JKSUJKDBSA-N 3 2 280.460 0.698 20 0 CCADLP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)C1 ZINC000647515928 390827835 /nfs/dbraw/zinc/82/78/35/390827835.db2.gz BLEVYGDGRDABCG-JKSUJKDBSA-N 3 2 280.460 0.698 20 0 CCADLP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000647552829 390840541 /nfs/dbraw/zinc/84/05/41/390840541.db2.gz ZONPHKYWHHEFCE-CHWSQXEVSA-N 3 2 292.431 0.444 20 0 CCADLP Cc1ccc(NCCC[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)[nH+]c1 ZINC000578435625 390882793 /nfs/dbraw/zinc/88/27/93/390882793.db2.gz JYMYXPBMWVBFOO-OAHLLOKOSA-N 3 2 292.427 0.659 20 0 CCADLP Cc1ccc(NCCC[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)[nH+]c1 ZINC000578435625 390882796 /nfs/dbraw/zinc/88/27/96/390882796.db2.gz JYMYXPBMWVBFOO-OAHLLOKOSA-N 3 2 292.427 0.659 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H](C)[NH2+]C2CC2)[C@H](C)C1 ZINC000423860580 533421731 /nfs/dbraw/zinc/42/17/31/533421731.db2.gz NKPZYWWQSXTWEE-VXGBXAGGSA-N 2 2 297.399 0.223 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H](C)[NH2+]C2CC2)[C@H](C)C1 ZINC000423860580 533421734 /nfs/dbraw/zinc/42/17/34/533421734.db2.gz NKPZYWWQSXTWEE-VXGBXAGGSA-N 2 2 297.399 0.223 20 0 CCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H]([NH3+])C(C)C)CC1 ZINC000423783182 533598346 /nfs/dbraw/zinc/59/83/46/533598346.db2.gz JSIWQJZBYNFASY-DGCLKSJQSA-N 2 2 285.388 0.066 20 0 CCADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)[C@H]1C ZINC000423578882 533636395 /nfs/dbraw/zinc/63/63/95/533636395.db2.gz VDYYJFYGTPQASD-CYDGBPFRSA-N 2 2 270.373 0.542 20 0 CCADLP C[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000237463268 131032966 /nfs/dbraw/zinc/03/29/66/131032966.db2.gz YXFDNIDVEQOHAZ-TZMCWYRMSA-N 2 2 277.368 0.351 20 0 CCADLP C[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000237463268 131032968 /nfs/dbraw/zinc/03/29/68/131032968.db2.gz YXFDNIDVEQOHAZ-TZMCWYRMSA-N 2 2 277.368 0.351 20 0 CCADLP O=C(NCCc1cn2ccccc2[nH+]1)[C@H]1CCC[NH2+]1 ZINC000237900494 131064341 /nfs/dbraw/zinc/06/43/41/131064341.db2.gz SOVBCBLOKCKVMK-GFCCVEGCSA-N 2 2 258.325 0.745 20 0 CCADLP O=C(Cc1cn2ccccc2[nH+]1)NC[C@@H]1CCC[NH2+]C1 ZINC000238125743 131078017 /nfs/dbraw/zinc/07/80/17/131078017.db2.gz YSYPNSCKPCZCSA-GFCCVEGCSA-N 2 2 272.352 0.993 20 0 CCADLP CC(C)(C[NH3+])NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000262524558 131229826 /nfs/dbraw/zinc/22/98/26/131229826.db2.gz ZPJOPHUYHUAHJO-UHFFFAOYSA-N 2 2 259.313 0.734 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000262879628 131270017 /nfs/dbraw/zinc/27/00/17/131270017.db2.gz VTZTYHBEAGGCIC-YPMHNXCESA-N 2 2 285.351 0.995 20 0 CCADLP COCC[NH+]1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000263811348 131336789 /nfs/dbraw/zinc/33/67/89/131336789.db2.gz ULXTZYLTXRCTHH-UHFFFAOYSA-N 2 2 261.329 0.726 20 0 CCADLP COCC[N@H+](C)CCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000263820639 131338836 /nfs/dbraw/zinc/33/88/36/131338836.db2.gz ZXRPVQYCNYFRAN-LBPRGKRZSA-N 2 2 283.376 0.149 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000263820639 131338838 /nfs/dbraw/zinc/33/88/38/131338838.db2.gz ZXRPVQYCNYFRAN-LBPRGKRZSA-N 2 2 283.376 0.149 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000264032659 131383766 /nfs/dbraw/zinc/38/37/66/131383766.db2.gz STTNZHUQCTYDJY-NEPJUHHUSA-N 2 2 265.361 0.617 20 0 CCADLP CN(C)c1ccc(CNC(=O)N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000264036788 131384778 /nfs/dbraw/zinc/38/47/78/131384778.db2.gz UKJFQZKXCLJTRO-ZDUSSCGKSA-N 2 2 291.399 0.993 20 0 CCADLP CN(C)c1ccc(CNC(=O)[C@@H]2CSC[NH2+]2)c[nH+]1 ZINC000269230911 132137070 /nfs/dbraw/zinc/13/70/70/132137070.db2.gz IPFXVJWWZJZQBD-JTQLQIEISA-N 2 2 266.370 0.426 20 0 CCADLP CN(C)c1cc(NC(=O)[C@H]2C[NH2+]CCO2)cc[nH+]1 ZINC000269239038 132139726 /nfs/dbraw/zinc/13/97/26/132139726.db2.gz AFBMIGOMOKUAEV-SNVBAGLBSA-N 2 2 250.302 0.075 20 0 CCADLP O=C(C[C@H]1C[NH2+]CCO1)NCCCCNc1cccc[nH+]1 ZINC000269248865 132141859 /nfs/dbraw/zinc/14/18/59/132141859.db2.gz NWRMITYZUVFUMX-ZDUSSCGKSA-N 2 2 292.383 0.768 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000269251359 132142410 /nfs/dbraw/zinc/14/24/10/132142410.db2.gz PSDWIFYASKLULX-JTQLQIEISA-N 2 2 250.346 0.691 20 0 CCADLP O=C(C[C@@H]1C[NH2+]CCO1)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000269278753 132148460 /nfs/dbraw/zinc/14/84/60/132148460.db2.gz ZHFSTEDYMYZUIA-LLVKDONJSA-N 3 2 287.323 0.584 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)Cn1cncn1 ZINC000657867271 413069562 /nfs/dbraw/zinc/06/95/62/413069562.db2.gz FFHGSLAAQLEPEG-QWHCGFSZSA-N 2 2 267.377 0.367 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)Cn1cncn1 ZINC000657867271 413069568 /nfs/dbraw/zinc/06/95/68/413069568.db2.gz FFHGSLAAQLEPEG-QWHCGFSZSA-N 2 2 267.377 0.367 20 0 CCADLP C[C@H](C[NH2+][C@@H](C)Cn1cncn1)C[NH+]1CCOCC1 ZINC000657893357 413072817 /nfs/dbraw/zinc/07/28/17/413072817.db2.gz YLOGHNVXUHJDCO-OLZOCXBDSA-N 2 2 267.377 0.225 20 0 CCADLP CCn1ncc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)n1 ZINC000530206344 285568916 /nfs/dbraw/zinc/56/89/16/285568916.db2.gz ASYMQLQIQXOIML-BFHYXJOUSA-N 2 2 279.388 0.545 20 0 CCADLP O=S1(=O)CCC[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000530225012 285575527 /nfs/dbraw/zinc/57/55/27/285575527.db2.gz WIIDOMSDRIVVOO-QWRGUYRKSA-N 2 2 258.387 0.438 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000092132615 135075822 /nfs/dbraw/zinc/07/58/22/135075822.db2.gz DABYCLMXPXAMPO-LBPRGKRZSA-N 2 2 262.357 0.586 20 0 CCADLP C[C@@H](Cn1cncn1)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000658026845 413090843 /nfs/dbraw/zinc/09/08/43/413090843.db2.gz XQKWNWPOYYVGFH-QWHCGFSZSA-N 2 2 267.377 0.103 20 0 CCADLP C[C@@H](Cn1cncn1)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000658026845 413090847 /nfs/dbraw/zinc/09/08/47/413090847.db2.gz XQKWNWPOYYVGFH-QWHCGFSZSA-N 2 2 267.377 0.103 20 0 CCADLP CCO[C@H](CC)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000531370833 285710599 /nfs/dbraw/zinc/71/05/99/285710599.db2.gz CLMMLTATMISNEH-CQSZACIVSA-N 2 2 285.432 0.944 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)NCC[C@H](C)[NH+](C)C ZINC000658424138 413146622 /nfs/dbraw/zinc/14/66/22/413146622.db2.gz ZFMAIPAZWXZRMX-JTQLQIEISA-N 2 2 294.355 0.485 20 0 CCADLP Cc1cccc(NC[C@H](O)C[NH+]2CCOCC2)[nH+]1 ZINC000034582972 397375732 /nfs/dbraw/zinc/37/57/32/397375732.db2.gz AYSPMCSQOIEIHY-LBPRGKRZSA-N 2 2 251.330 0.495 20 0 CCADLP O=C([C@@H]1CCC[NH2+]1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000037497886 397381335 /nfs/dbraw/zinc/38/13/35/397381335.db2.gz PYUBHPVXZSEYFX-OLZOCXBDSA-N 2 2 267.373 0.062 20 0 CCADLP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)NC2CC2)CC1 ZINC000356610461 144019062 /nfs/dbraw/zinc/01/90/62/144019062.db2.gz AMZHOLYBPYYWQR-NSHDSACASA-N 2 2 269.389 0.354 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000356761479 144030730 /nfs/dbraw/zinc/03/07/30/144030730.db2.gz FGULCFULZVZTSC-CYBMUJFWSA-N 2 2 285.432 0.942 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000356761479 144030732 /nfs/dbraw/zinc/03/07/32/144030732.db2.gz FGULCFULZVZTSC-CYBMUJFWSA-N 2 2 285.432 0.942 20 0 CCADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[NH+]2CCC1CC2 ZINC000357004388 144050240 /nfs/dbraw/zinc/05/02/40/144050240.db2.gz YBFPFPLLBPXFAZ-GFCCVEGCSA-N 2 2 274.368 0.752 20 0 CCADLP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[NH+](CCO)CC1 ZINC000357255586 144074810 /nfs/dbraw/zinc/07/48/10/144074810.db2.gz KOSLEPZYDFQCIQ-OCCSQVGLSA-N 2 2 269.389 0.031 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)Nc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000357327723 144082339 /nfs/dbraw/zinc/08/23/39/144082339.db2.gz UPJHMBHQFPDNID-JTQLQIEISA-N 2 2 284.327 0.772 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCc3ccc(O)cc3C2)CC1 ZINC000357360275 144085041 /nfs/dbraw/zinc/08/50/41/144085041.db2.gz CNMBYKNBTDWKPJ-UHFFFAOYSA-N 2 2 289.379 0.524 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCc3ccc(O)cc3C2)CC1 ZINC000357360275 144085043 /nfs/dbraw/zinc/08/50/43/144085043.db2.gz CNMBYKNBTDWKPJ-UHFFFAOYSA-N 2 2 289.379 0.524 20 0 CCADLP C[N@H+](CCn1cccn1)C1CC[NH+](CCO)CC1 ZINC000357645947 144108645 /nfs/dbraw/zinc/10/86/45/144108645.db2.gz GVQWQMZDURJVEF-UHFFFAOYSA-N 2 2 252.362 0.272 20 0 CCADLP C[N@@H+](CCn1cccn1)C1CC[NH+](CCO)CC1 ZINC000357645947 144108646 /nfs/dbraw/zinc/10/86/46/144108646.db2.gz GVQWQMZDURJVEF-UHFFFAOYSA-N 2 2 252.362 0.272 20 0 CCADLP C[N@H+](CC(=O)NC1CCCCC1)C1CC[NH+](CCO)CC1 ZINC000357651402 144108930 /nfs/dbraw/zinc/10/89/30/144108930.db2.gz RSPLHNCCZMCUJK-UHFFFAOYSA-N 2 2 297.443 0.824 20 0 CCADLP C[N@@H+](CC(=O)NC1CCCCC1)C1CC[NH+](CCO)CC1 ZINC000357651402 144108932 /nfs/dbraw/zinc/10/89/32/144108932.db2.gz RSPLHNCCZMCUJK-UHFFFAOYSA-N 2 2 297.443 0.824 20 0 CCADLP C[N@H+](Cc1cn2cccnc2n1)C1CC[NH+](CCO)CC1 ZINC000357653907 144109822 /nfs/dbraw/zinc/10/98/22/144109822.db2.gz XLQMEHVNEUHTLI-UHFFFAOYSA-N 2 2 289.383 0.618 20 0 CCADLP C[N@@H+](Cc1cn2cccnc2n1)C1CC[NH+](CCO)CC1 ZINC000357653907 144109823 /nfs/dbraw/zinc/10/98/23/144109823.db2.gz XLQMEHVNEUHTLI-UHFFFAOYSA-N 2 2 289.383 0.618 20 0 CCADLP CC[NH+](CC)CC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000357720570 144115852 /nfs/dbraw/zinc/11/58/52/144115852.db2.gz HKIDPFLZNUEOBZ-CQSZACIVSA-N 2 2 285.432 0.801 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CN(C)CC[NH+]1C ZINC000357778459 144120870 /nfs/dbraw/zinc/12/08/70/144120870.db2.gz ICRQAMOFKFNXSS-UONOGXRCSA-N 2 2 299.463 0.260 20 0 CCADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CN(C)CC[NH+]1C ZINC000357778459 144120871 /nfs/dbraw/zinc/12/08/71/144120871.db2.gz ICRQAMOFKFNXSS-UONOGXRCSA-N 2 2 299.463 0.260 20 0 CCADLP CC(C)[NH+](C)C[C@H](C)NC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000357778459 144120873 /nfs/dbraw/zinc/12/08/73/144120873.db2.gz ICRQAMOFKFNXSS-UONOGXRCSA-N 2 2 299.463 0.260 20 0 CCADLP CC(C)[NH+](C)C[C@H](C)NC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000357778459 144120875 /nfs/dbraw/zinc/12/08/75/144120875.db2.gz ICRQAMOFKFNXSS-UONOGXRCSA-N 2 2 299.463 0.260 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCNC(=O)c1ccco1 ZINC000358054886 144146586 /nfs/dbraw/zinc/14/65/86/144146586.db2.gz AEGMIIMHOLYHMQ-WDEREUQCSA-N 2 2 251.330 0.549 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCNC(=O)c1ccco1 ZINC000358054886 144146587 /nfs/dbraw/zinc/14/65/87/144146587.db2.gz AEGMIIMHOLYHMQ-WDEREUQCSA-N 2 2 251.330 0.549 20 0 CCADLP Cc1cccc2[nH+]c(CN3CCO[C@@H](C[NH3+])C3)cn21 ZINC000358122597 144154632 /nfs/dbraw/zinc/15/46/32/144154632.db2.gz IGDSLFJCRHWOQG-ZDUSSCGKSA-N 2 2 260.341 0.802 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000358669836 144171213 /nfs/dbraw/zinc/17/12/13/144171213.db2.gz AUQKRCWQCOLOCQ-RDBSUJKOSA-N 2 2 283.416 0.506 20 0 CCADLP C[C@@H](C1CC1)N(C(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000359267514 144208192 /nfs/dbraw/zinc/20/81/92/144208192.db2.gz ABKONIBNSAMOJK-FPMFFAJLSA-N 2 2 277.412 0.927 20 0 CCADLP C[C@@H](C1CC1)N(C(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000359267514 144208190 /nfs/dbraw/zinc/20/81/90/144208190.db2.gz ABKONIBNSAMOJK-FPMFFAJLSA-N 2 2 277.412 0.927 20 0 CCADLP CCOCC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000369724296 144278360 /nfs/dbraw/zinc/27/83/60/144278360.db2.gz UYVXOZSRHHERGS-GJZGRUSLSA-N 2 2 286.416 0.428 20 0 CCADLP CCOCC[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000369724296 144278362 /nfs/dbraw/zinc/27/83/62/144278362.db2.gz UYVXOZSRHHERGS-GJZGRUSLSA-N 2 2 286.416 0.428 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](N2CCOCC2)C1 ZINC000394602773 397517216 /nfs/dbraw/zinc/51/72/16/397517216.db2.gz PYJDYRFCTIRTLU-CVEARBPZSA-N 2 2 299.459 0.484 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](N2CCOCC2)C1 ZINC000394602773 397517220 /nfs/dbraw/zinc/51/72/20/397517220.db2.gz PYJDYRFCTIRTLU-CVEARBPZSA-N 2 2 299.459 0.484 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000394602773 397517226 /nfs/dbraw/zinc/51/72/26/397517226.db2.gz PYJDYRFCTIRTLU-CVEARBPZSA-N 2 2 299.459 0.484 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000394602773 397517227 /nfs/dbraw/zinc/51/72/27/397517227.db2.gz PYJDYRFCTIRTLU-CVEARBPZSA-N 2 2 299.459 0.484 20 0 CCADLP Nc1ccnc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000372175541 144356370 /nfs/dbraw/zinc/35/63/70/144356370.db2.gz KRTFGEPGCZDXHP-NSHDSACASA-N 2 2 258.329 0.923 20 0 CCADLP Nc1ccnc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)n1 ZINC000372175541 144356371 /nfs/dbraw/zinc/35/63/71/144356371.db2.gz KRTFGEPGCZDXHP-NSHDSACASA-N 2 2 258.329 0.923 20 0 CCADLP CCC[N@H+](CC)CCNC(=O)[C@@H]1COCC[NH+]1CC ZINC000372977017 144387857 /nfs/dbraw/zinc/38/78/57/144387857.db2.gz KBMFSIYOCBLEBJ-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[N@@H+](CC)CCNC(=O)[C@@H]1COCC[NH+]1CC ZINC000372977017 144387858 /nfs/dbraw/zinc/38/78/58/144387858.db2.gz KBMFSIYOCBLEBJ-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[NH+](CC)CCNC(=O)[C@@H]1COCC[N@@H+]1CC ZINC000372977017 144387860 /nfs/dbraw/zinc/38/78/60/144387860.db2.gz KBMFSIYOCBLEBJ-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[NH+](CC)CCNC(=O)[C@@H]1COCC[N@H+]1CC ZINC000372977017 144387861 /nfs/dbraw/zinc/38/78/61/144387861.db2.gz KBMFSIYOCBLEBJ-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)NC(=O)NC1CC1 ZINC000580301922 397582107 /nfs/dbraw/zinc/58/21/07/397582107.db2.gz BPPSOAYXTFEICH-WCQYABFASA-N 2 2 294.399 0.439 20 0 CCADLP O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)NC(=O)NC1CC1 ZINC000580301922 397582109 /nfs/dbraw/zinc/58/21/09/397582109.db2.gz BPPSOAYXTFEICH-WCQYABFASA-N 2 2 294.399 0.439 20 0 CCADLP C[NH+](C)CCCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000585231275 397583931 /nfs/dbraw/zinc/58/39/31/397583931.db2.gz SXHYYLLOPFFGEB-UHFFFAOYSA-N 2 2 274.328 0.344 20 0 CCADLP Cn1ccc(N2CCC[C@@H]([N@H+](C)CCC[NH3+])C2=O)n1 ZINC000649410097 397606092 /nfs/dbraw/zinc/60/60/92/397606092.db2.gz OVWPJVVNRZYKRC-LLVKDONJSA-N 2 2 265.361 0.196 20 0 CCADLP Cn1ccc(N2CCC[C@@H]([N@@H+](C)CCC[NH3+])C2=O)n1 ZINC000649410097 397606093 /nfs/dbraw/zinc/60/60/93/397606093.db2.gz OVWPJVVNRZYKRC-LLVKDONJSA-N 2 2 265.361 0.196 20 0 CCADLP CCc1nsc(N2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)n1 ZINC000649413821 397607806 /nfs/dbraw/zinc/60/78/06/397607806.db2.gz KBVKGNPAWOHXFV-NSHDSACASA-N 2 2 281.429 0.832 20 0 CCADLP CC[C@@H]1C[N@@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)CC[C@H]1[NH3+] ZINC000649416822 397609599 /nfs/dbraw/zinc/60/95/99/397609599.db2.gz MYJJFMNZEBMZFI-BNOWGMLFSA-N 2 2 291.399 0.585 20 0 CCADLP CC[C@@H]1C[N@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)CC[C@H]1[NH3+] ZINC000649416822 397609603 /nfs/dbraw/zinc/60/96/03/397609603.db2.gz MYJJFMNZEBMZFI-BNOWGMLFSA-N 2 2 291.399 0.585 20 0 CCADLP Cc1cc[nH+]c(N2CC[NH+](C[C@@H]3CCC(=O)N3)CC2)c1 ZINC000649552482 397633866 /nfs/dbraw/zinc/63/38/66/397633866.db2.gz LHAZLWPJFUHKBT-ZDUSSCGKSA-N 2 2 274.368 0.791 20 0 CCADLP COCC[NH2+]C1CC[NH+](Cc2cnc(N)s2)CC1 ZINC000650704211 397746583 /nfs/dbraw/zinc/74/65/83/397746583.db2.gz NIZGGNARSAMHTH-UHFFFAOYSA-N 2 2 270.402 0.756 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428047899 286069250 /nfs/dbraw/zinc/06/92/50/286069250.db2.gz ZXYOJWSBRBBYEI-MELADBBJSA-N 2 2 283.416 0.602 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428047899 286069251 /nfs/dbraw/zinc/06/92/51/286069251.db2.gz ZXYOJWSBRBBYEI-MELADBBJSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](C)[NH+]1CCOCC1 ZINC000552118493 286153919 /nfs/dbraw/zinc/15/39/19/286153919.db2.gz JSQVMLVLBCGPIA-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000659090801 413280307 /nfs/dbraw/zinc/28/03/07/413280307.db2.gz CVXVVEITIKSFCL-UHFFFAOYSA-N 2 2 289.339 0.469 20 0 CCADLP COCCC[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000361219886 292377532 /nfs/dbraw/zinc/37/75/32/292377532.db2.gz HMLHEDBHYGWSQQ-CHWSQXEVSA-N 2 2 271.405 0.731 20 0 CCADLP COCCC[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000361219886 292377533 /nfs/dbraw/zinc/37/75/33/292377533.db2.gz HMLHEDBHYGWSQQ-CHWSQXEVSA-N 2 2 271.405 0.731 20 0 CCADLP C[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)[C@@H]1CCC[NH2+]1 ZINC000423116222 287032844 /nfs/dbraw/zinc/03/28/44/287032844.db2.gz ZYTTVDAIUVHDJI-AGIUHOORSA-N 2 2 289.445 0.531 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)[C@H]1CCC[NH2+]1 ZINC000333246038 287057687 /nfs/dbraw/zinc/05/76/87/287057687.db2.gz FSZNXIMWUXCLGI-IJLUTSLNSA-N 2 2 275.418 0.141 20 0 CCADLP CC[C@H]1C[N@@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)CCO1 ZINC000045752289 411640373 /nfs/dbraw/zinc/64/03/73/411640373.db2.gz RLUNYGRWIAVHJA-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@H]1C[N@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)CCO1 ZINC000045752289 411640375 /nfs/dbraw/zinc/64/03/75/411640375.db2.gz RLUNYGRWIAVHJA-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CC(C)c1noc(C[N@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000071150261 411693947 /nfs/dbraw/zinc/69/39/47/411693947.db2.gz TTZMSUUACWSTNJ-UHFFFAOYSA-N 2 2 267.377 0.530 20 0 CCADLP CC(C)c1noc(C[N@@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000071150261 411693949 /nfs/dbraw/zinc/69/39/49/411693949.db2.gz TTZMSUUACWSTNJ-UHFFFAOYSA-N 2 2 267.377 0.530 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C(C)(C)CN1CCOCC1 ZINC000308647156 411746094 /nfs/dbraw/zinc/74/60/94/411746094.db2.gz KHNJPJGYCXCZIA-CYBMUJFWSA-N 2 2 255.406 0.781 20 0 CCADLP C[N@H+]1CCC[C@@H]1C[NH2+]C(C)(C)CN1CCOCC1 ZINC000308647156 411746097 /nfs/dbraw/zinc/74/60/97/411746097.db2.gz KHNJPJGYCXCZIA-CYBMUJFWSA-N 2 2 255.406 0.781 20 0 CCADLP CCO[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000311530765 411750235 /nfs/dbraw/zinc/75/02/35/411750235.db2.gz FLSQXYHEDZSXAQ-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP CCO[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)CCOC)C1 ZINC000311530765 411750239 /nfs/dbraw/zinc/75/02/39/411750239.db2.gz FLSQXYHEDZSXAQ-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP CCO[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)CCOC)C1 ZINC000311530765 411750244 /nfs/dbraw/zinc/75/02/44/411750244.db2.gz FLSQXYHEDZSXAQ-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP CCO[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)CCOC)C1 ZINC000311530765 411750246 /nfs/dbraw/zinc/75/02/46/411750246.db2.gz FLSQXYHEDZSXAQ-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@](C)(CO)c1ccccc1 ZINC000314907699 411756888 /nfs/dbraw/zinc/75/68/88/411756888.db2.gz OAGIFRAFMMUJNF-CVEARBPZSA-N 2 2 296.411 0.423 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@](C)(CO)c1ccccc1 ZINC000314907699 411756891 /nfs/dbraw/zinc/75/68/91/411756891.db2.gz OAGIFRAFMMUJNF-CVEARBPZSA-N 2 2 296.411 0.423 20 0 CCADLP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1C[NH3+] ZINC000405527647 411804719 /nfs/dbraw/zinc/80/47/19/411804719.db2.gz LHXMVIWVLOEYJG-QJPTWQEYSA-N 2 2 271.405 0.585 20 0 CCADLP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(C)(C)C)C[C@H]1C[NH3+] ZINC000405527647 411804722 /nfs/dbraw/zinc/80/47/22/411804722.db2.gz LHXMVIWVLOEYJG-QJPTWQEYSA-N 2 2 271.405 0.585 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cc3cnccc3o2)C1 ZINC000651762746 411930248 /nfs/dbraw/zinc/93/02/48/411930248.db2.gz MOCPBKQAABBKBL-CQSZACIVSA-N 2 2 261.325 0.984 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cc3cnccc3o2)C1 ZINC000651762746 411930252 /nfs/dbraw/zinc/93/02/52/411930252.db2.gz MOCPBKQAABBKBL-CQSZACIVSA-N 2 2 261.325 0.984 20 0 CCADLP NC(=O)[C@H]1C[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000651939582 411964896 /nfs/dbraw/zinc/96/48/96/411964896.db2.gz JWWCFJGCMPGIGP-BJHJDKERSA-N 2 2 274.368 0.904 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)NCCC2CC[NH2+]CC2)c1 ZINC000652199412 412001917 /nfs/dbraw/zinc/00/19/17/412001917.db2.gz QLMGEXGOLMMWOQ-UHFFFAOYSA-N 2 2 279.388 0.652 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000652338811 412031183 /nfs/dbraw/zinc/03/11/83/412031183.db2.gz BXPJHZQPNCDZKN-CYBMUJFWSA-N 3 2 252.362 0.560 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652350934 412033197 /nfs/dbraw/zinc/03/31/97/412033197.db2.gz YITMEGKCTXWHJM-XUJVJEKNSA-N 2 2 289.383 0.864 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652350934 412033200 /nfs/dbraw/zinc/03/32/00/412033200.db2.gz YITMEGKCTXWHJM-XUJVJEKNSA-N 2 2 289.383 0.864 20 0 CCADLP [NH3+]CCC[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000020181752 171045818 /nfs/dbraw/zinc/04/58/18/171045818.db2.gz XVJUVCUCLURVNX-UHFFFAOYSA-N 2 2 265.332 0.932 20 0 CCADLP CC(C)C[C@@H]1COCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653089217 412214542 /nfs/dbraw/zinc/21/45/42/412214542.db2.gz AUQLBOBSVCMNOF-OLZOCXBDSA-N 2 2 271.405 0.539 20 0 CCADLP C[NH2+]C[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000653049290 412201023 /nfs/dbraw/zinc/20/10/23/412201023.db2.gz AGRSFWBSIATIKI-GFCCVEGCSA-N 2 2 276.384 0.830 20 0 CCADLP COc1cc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc(OC)c1 ZINC000653056861 412204352 /nfs/dbraw/zinc/20/43/52/412204352.db2.gz AVFQUESMLINAJE-ZDUSSCGKSA-N 2 2 281.356 0.921 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCc2ccc(O)cc2C1 ZINC000653072728 412208211 /nfs/dbraw/zinc/20/82/11/412208211.db2.gz CRYUALFRIBSYNR-CQSZACIVSA-N 2 2 277.368 0.556 20 0 CCADLP CCO[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653072158 412208359 /nfs/dbraw/zinc/20/83/59/412208359.db2.gz GMKDXJPROPNSKD-NEPJUHHUSA-N 2 2 257.378 0.293 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC1CCSCC1 ZINC000653080753 412211193 /nfs/dbraw/zinc/21/11/93/412211193.db2.gz RTPXPXNHWCYAAT-LLVKDONJSA-N 2 2 259.419 0.525 20 0 CCADLP CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C(C1CC1)C1CC1 ZINC000653082473 412211901 /nfs/dbraw/zinc/21/19/01/412211901.db2.gz WGIMHKFQQJZNPC-LBPRGKRZSA-N 2 2 253.390 0.912 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000653298951 412284916 /nfs/dbraw/zinc/28/49/16/412284916.db2.gz UICWXPHTGCEBCF-KGLIPLIRSA-N 2 2 285.432 0.977 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000653298951 412284918 /nfs/dbraw/zinc/28/49/18/412284918.db2.gz UICWXPHTGCEBCF-KGLIPLIRSA-N 2 2 285.432 0.977 20 0 CCADLP CO[C@]1(C)C[C@@H](N(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1(C)C ZINC000653101733 412218283 /nfs/dbraw/zinc/21/82/83/412218283.db2.gz DZNVQWPCIVXIOK-YWPYICTPSA-N 2 2 285.432 0.927 20 0 CCADLP CN(CCNC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccccc1 ZINC000653106776 412220664 /nfs/dbraw/zinc/22/06/64/412220664.db2.gz MYNOYMHQPMQDCP-CQSZACIVSA-N 2 2 278.400 0.518 20 0 CCADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653109445 412221826 /nfs/dbraw/zinc/22/18/26/412221826.db2.gz BNZKPCBTHPLBMB-STQMWFEESA-N 3 2 270.421 0.256 20 0 CCADLP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653108267 412222155 /nfs/dbraw/zinc/22/21/55/412222155.db2.gz PQSRANQMMOHAFL-AWEZNQCLSA-N 3 2 284.448 0.597 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)[N@@H+]1CCCC[C@H]1C ZINC000653109874 412222390 /nfs/dbraw/zinc/22/23/90/412222390.db2.gz PSDACFAHGBSXKD-RDBSUJKOSA-N 3 2 284.448 0.645 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)[N@H+]1CCCC[C@H]1C ZINC000653109874 412222394 /nfs/dbraw/zinc/22/23/94/412222394.db2.gz PSDACFAHGBSXKD-RDBSUJKOSA-N 3 2 284.448 0.645 20 0 CCADLP C[C@@H]1CCC[C@](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)([NH+](C)C)C1 ZINC000653111974 412223370 /nfs/dbraw/zinc/22/33/70/412223370.db2.gz HWIWZCAXXIRLEO-FMKPAKJESA-N 3 2 298.475 0.892 20 0 CCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653111079 412224387 /nfs/dbraw/zinc/22/43/87/412224387.db2.gz CLMDHLQBLDFKIG-YPMHNXCESA-N 3 2 281.404 0.223 20 0 CCADLP CC[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccncc1 ZINC000653119368 412230128 /nfs/dbraw/zinc/23/01/28/412230128.db2.gz HOJZXYBDRPJOIS-OLZOCXBDSA-N 2 2 264.373 0.928 20 0 CCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653125112 412231553 /nfs/dbraw/zinc/23/15/53/412231553.db2.gz SWJYQPVMCSEBHZ-UONOGXRCSA-N 2 2 282.432 0.128 20 0 CCADLP CO[C@@H]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653149069 412241673 /nfs/dbraw/zinc/24/16/73/412241673.db2.gz VPYAYTHSJPTPEK-GRYCIOLGSA-N 2 2 257.378 0.197 20 0 CCADLP COCCNc1ccccc1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653149068 412241922 /nfs/dbraw/zinc/24/19/22/412241922.db2.gz VNOLFOIHYABPGI-LBPRGKRZSA-N 2 2 294.399 0.962 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@@H](OCC2CC2)C1 ZINC000653151307 412243929 /nfs/dbraw/zinc/24/39/29/412243929.db2.gz CKWBQKXZJPPVKV-KGLIPLIRSA-N 2 2 283.416 0.683 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000653152677 412245505 /nfs/dbraw/zinc/24/55/05/412245505.db2.gz VUYOFSLVBFDQEI-IHRRRGAJSA-N 3 2 282.432 0.208 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000653152677 412245507 /nfs/dbraw/zinc/24/55/07/412245507.db2.gz VUYOFSLVBFDQEI-IHRRRGAJSA-N 3 2 282.432 0.208 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cccc(-n2ccnn2)c1 ZINC000653152336 412245689 /nfs/dbraw/zinc/24/56/89/412245689.db2.gz KBTPQVNHAWTLSD-CYBMUJFWSA-N 2 2 288.355 0.485 20 0 CCADLP CCC(=O)N[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000653526652 412311104 /nfs/dbraw/zinc/31/11/04/412311104.db2.gz JUVUFVOEUNVNHM-OLZOCXBDSA-N 2 2 271.405 0.290 20 0 CCADLP CCC(=O)N[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)CC)C1 ZINC000653526652 412311108 /nfs/dbraw/zinc/31/11/08/412311108.db2.gz JUVUFVOEUNVNHM-OLZOCXBDSA-N 2 2 271.405 0.290 20 0 CCADLP CCC(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000653526652 412311112 /nfs/dbraw/zinc/31/11/12/412311112.db2.gz JUVUFVOEUNVNHM-OLZOCXBDSA-N 2 2 271.405 0.290 20 0 CCADLP CCC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)CC)C1 ZINC000653526652 412311115 /nfs/dbraw/zinc/31/11/15/412311115.db2.gz JUVUFVOEUNVNHM-OLZOCXBDSA-N 2 2 271.405 0.290 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CN1CCOCC1 ZINC000653559587 412317165 /nfs/dbraw/zinc/31/71/65/412317165.db2.gz JLXOZPVKCCQRAA-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CN1CCOCC1 ZINC000653559587 412317169 /nfs/dbraw/zinc/31/71/69/412317169.db2.gz JLXOZPVKCCQRAA-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000653559587 412317172 /nfs/dbraw/zinc/31/71/72/412317172.db2.gz JLXOZPVKCCQRAA-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000653559587 412317175 /nfs/dbraw/zinc/31/71/75/412317175.db2.gz JLXOZPVKCCQRAA-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP CC[N@H+](C)C[C@@H](O)CN1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000653559587 412317177 /nfs/dbraw/zinc/31/71/77/412317177.db2.gz JLXOZPVKCCQRAA-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP CNS(=O)(=O)CCC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000653591628 412322201 /nfs/dbraw/zinc/32/22/01/412322201.db2.gz RKRWOFWUBLNUOF-LLVKDONJSA-N 2 2 286.401 0.149 20 0 CCADLP CNS(=O)(=O)CCC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000653591628 412322205 /nfs/dbraw/zinc/32/22/05/412322205.db2.gz RKRWOFWUBLNUOF-LLVKDONJSA-N 2 2 286.401 0.149 20 0 CCADLP COCCOC[C@H](O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000653590574 412322227 /nfs/dbraw/zinc/32/22/27/412322227.db2.gz MLEZYJUGGNGQCM-CHWSQXEVSA-N 2 2 283.372 0.233 20 0 CCADLP COCCOC[C@H](O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000653590574 412322229 /nfs/dbraw/zinc/32/22/29/412322229.db2.gz MLEZYJUGGNGQCM-CHWSQXEVSA-N 2 2 283.372 0.233 20 0 CCADLP CCn1nccc1CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000653644684 412328832 /nfs/dbraw/zinc/32/88/32/412328832.db2.gz GAIINUYTIPZWLW-UHFFFAOYSA-N 2 2 274.372 0.991 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](Cc2ccn(C)c(=O)c2)CC1 ZINC000653729086 412340171 /nfs/dbraw/zinc/34/01/71/412340171.db2.gz KAWYSEAVCIIRMM-UHFFFAOYSA-N 2 2 293.411 0.710 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCO[C@H](c2cccs2)C1 ZINC000653347308 412292250 /nfs/dbraw/zinc/29/22/50/412292250.db2.gz ZVHBHSODSTXYAO-RYUDHWBXSA-N 2 2 297.424 0.927 20 0 CCADLP C[C@@H](CNc1ccccc1)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653347107 412292409 /nfs/dbraw/zinc/29/24/09/412292409.db2.gz SGGOMPCIBJCODR-GXTWGEPZSA-N 2 2 278.400 0.882 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)[nH]ccc2=O ZINC000653348032 412293045 /nfs/dbraw/zinc/29/30/45/412293045.db2.gz ZDSHJMJKSJQBIC-GFCCVEGCSA-N 2 2 288.351 0.746 20 0 CCADLP C[NH+](C)CCn1ccc(C(=O)NCc2c[nH+]c[nH]2)n1 ZINC000654819621 412441635 /nfs/dbraw/zinc/44/16/35/412441635.db2.gz UMWPETMDLVSUAG-UHFFFAOYSA-N 2 2 262.317 0.098 20 0 CCADLP C[NH+](C)CCn1ccc(C(=O)NCc2c[nH]c[nH+]2)n1 ZINC000654819621 412441636 /nfs/dbraw/zinc/44/16/36/412441636.db2.gz UMWPETMDLVSUAG-UHFFFAOYSA-N 2 2 262.317 0.098 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000654889859 412448122 /nfs/dbraw/zinc/44/81/22/412448122.db2.gz BKFYQPPSADOJQY-GXTWGEPZSA-N 2 2 292.383 0.521 20 0 CCADLP CC(C)(CNC(=O)NCC1([NH3+])CCCC1)[NH+]1CCOCC1 ZINC000659424276 413489492 /nfs/dbraw/zinc/48/94/92/413489492.db2.gz BMIZIEDKNJCIRZ-UHFFFAOYSA-N 2 2 298.431 0.668 20 0 CCADLP CC(C)[C@H]([NH3+])CCNC(=O)NCc1[nH+]ccn1C ZINC000659450196 413508374 /nfs/dbraw/zinc/50/83/74/413508374.db2.gz YFAVGDZGBDKTNZ-SNVBAGLBSA-N 2 2 253.350 0.593 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659455797 413515378 /nfs/dbraw/zinc/51/53/78/413515378.db2.gz DBKFJGKZXCIWCG-STQMWFEESA-N 3 2 297.447 0.062 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659455797 413515386 /nfs/dbraw/zinc/51/53/86/413515386.db2.gz DBKFJGKZXCIWCG-STQMWFEESA-N 3 2 297.447 0.062 20 0 CCADLP CN(CCC[NH3+])C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000659473128 413531936 /nfs/dbraw/zinc/53/19/36/413531936.db2.gz OOWLSCIYTSJYLZ-LBPRGKRZSA-N 2 2 277.372 0.651 20 0 CCADLP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000659484391 413539620 /nfs/dbraw/zinc/53/96/20/413539620.db2.gz SSEPFKMQJSNKBL-NWDGAFQWSA-N 2 2 279.388 0.871 20 0 CCADLP O=C(NCC12CC(C1)C[NH2+]2)N[C@H]1CCn2cc[nH+]c2C1 ZINC000659484401 413540579 /nfs/dbraw/zinc/54/05/79/413540579.db2.gz TXADJIITORJNNY-CVZZAPKMSA-N 2 2 275.356 0.249 20 0 CCADLP O=C(NCC1CC[NH2+]CC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659508319 413567217 /nfs/dbraw/zinc/56/72/17/413567217.db2.gz UJINRRWPUUGVLF-AWEZNQCLSA-N 2 2 296.415 0.102 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000659506625 413563768 /nfs/dbraw/zinc/56/37/68/413563768.db2.gz DEJVUQHYGYUBMF-SNVBAGLBSA-N 2 2 251.334 0.693 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000659506625 413563777 /nfs/dbraw/zinc/56/37/77/413563777.db2.gz DEJVUQHYGYUBMF-SNVBAGLBSA-N 2 2 251.334 0.693 20 0 CCADLP CCC([NH3+])(CC)CNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659523256 413593828 /nfs/dbraw/zinc/59/38/28/413593828.db2.gz SCUCFMRPBYXRAR-ZDUSSCGKSA-N 2 2 298.431 0.620 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000659638354 413741682 /nfs/dbraw/zinc/74/16/82/413741682.db2.gz JVGGAACFUKXOES-LBPRGKRZSA-N 2 2 280.372 0.715 20 0 CCADLP C[C@@H]1CCC[C@H](CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])O1 ZINC000659601643 413683135 /nfs/dbraw/zinc/68/31/35/413683135.db2.gz VYCNHGBQWDSILG-JHJVBQTASA-N 2 2 284.404 0.228 20 0 CCADLP C[C@@H]1CCC[C@H](CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])O1 ZINC000659601643 413683143 /nfs/dbraw/zinc/68/31/43/413683143.db2.gz VYCNHGBQWDSILG-JHJVBQTASA-N 2 2 284.404 0.228 20 0 CCADLP C[NH2+][C@H]1CCN(C(=O)N[C@H](C)c2[nH+]ccn2C)C1 ZINC000659629428 413723678 /nfs/dbraw/zinc/72/36/78/413723678.db2.gz WOYGXTDIRLXTQI-ZJUUUORDSA-N 2 2 251.334 0.484 20 0 CCADLP C[C@H](NC(=O)N1CC[NH2+]C(C)(C)C1)c1[nH+]ccn1C ZINC000659629308 413724924 /nfs/dbraw/zinc/72/49/24/413724924.db2.gz VQNPGEKEEAYOAG-JTQLQIEISA-N 2 2 265.361 0.875 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000659633676 413734342 /nfs/dbraw/zinc/73/43/42/413734342.db2.gz FHMAYQLRKQNTLV-AVGNSLFASA-N 2 2 284.404 0.099 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000659730742 413826167 /nfs/dbraw/zinc/82/61/67/413826167.db2.gz ZBIFBGXOARUJJT-LLVKDONJSA-N 2 2 278.356 0.039 20 0 CCADLP CC(=O)c1nc(CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)[nH]c1C ZINC000659850397 413918309 /nfs/dbraw/zinc/91/83/09/413918309.db2.gz OZUBOXFMPVDAIC-VXGBXAGGSA-N 2 2 262.357 0.614 20 0 CCADLP CC(=O)c1[nH]c(CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)nc1C ZINC000659850397 413918315 /nfs/dbraw/zinc/91/83/15/413918315.db2.gz OZUBOXFMPVDAIC-VXGBXAGGSA-N 2 2 262.357 0.614 20 0 CCADLP CCN1OC[C@H]([N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1=O ZINC000659883206 413938436 /nfs/dbraw/zinc/93/84/36/413938436.db2.gz QWFOTDGIYGVUPT-RYUDHWBXSA-N 2 2 264.329 0.682 20 0 CCADLP CCN1OC[C@H]([N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1=O ZINC000659883206 413938447 /nfs/dbraw/zinc/93/84/47/413938447.db2.gz QWFOTDGIYGVUPT-RYUDHWBXSA-N 2 2 264.329 0.682 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+](C[C@H]3CNC(=O)C3)CC2)c1 ZINC000659880933 413940518 /nfs/dbraw/zinc/94/05/18/413940518.db2.gz CKWHVKDWMNFNLN-GFCCVEGCSA-N 2 2 290.367 0.348 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)CCn1cccn1 ZINC000659920529 413972087 /nfs/dbraw/zinc/97/20/87/413972087.db2.gz XEEMNCDZCAWVJB-CYBMUJFWSA-N 2 2 254.378 0.516 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)CCn1cccn1 ZINC000659920529 413972096 /nfs/dbraw/zinc/97/20/96/413972096.db2.gz XEEMNCDZCAWVJB-CYBMUJFWSA-N 2 2 254.378 0.516 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)CCn1cccn1 ZINC000659920529 413972105 /nfs/dbraw/zinc/97/21/05/413972105.db2.gz XEEMNCDZCAWVJB-CYBMUJFWSA-N 2 2 254.378 0.516 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)CCn1cccn1 ZINC000659920529 413972114 /nfs/dbraw/zinc/97/21/14/413972114.db2.gz XEEMNCDZCAWVJB-CYBMUJFWSA-N 2 2 254.378 0.516 20 0 CCADLP CCc1nc(NC[C@H](O)C[NH+]2CCOCC2)cc(C)[nH+]1 ZINC000285624060 196347160 /nfs/dbraw/zinc/34/71/60/196347160.db2.gz MWUDVLMYCQYXSX-LBPRGKRZSA-N 2 2 280.372 0.452 20 0 CCADLP CN1CC(=O)N(CC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000660078251 414092281 /nfs/dbraw/zinc/09/22/81/414092281.db2.gz SMSMDYLGTDCNNW-NSHDSACASA-N 2 2 291.355 0.483 20 0 CCADLP CN1CC(=O)N(CC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000660078251 414092295 /nfs/dbraw/zinc/09/22/95/414092295.db2.gz SMSMDYLGTDCNNW-NSHDSACASA-N 2 2 291.355 0.483 20 0 CCADLP CN1CC(=O)N(CC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000660078250 414094339 /nfs/dbraw/zinc/09/43/39/414094339.db2.gz SMSMDYLGTDCNNW-LLVKDONJSA-N 2 2 291.355 0.483 20 0 CCADLP CN1CC(=O)N(CC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000660078250 414094350 /nfs/dbraw/zinc/09/43/50/414094350.db2.gz SMSMDYLGTDCNNW-LLVKDONJSA-N 2 2 291.355 0.483 20 0 CCADLP CN1CC(=O)N(CC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)C1=O ZINC000660094300 414106500 /nfs/dbraw/zinc/10/65/00/414106500.db2.gz JDKQEVLXJJQUGE-UHFFFAOYSA-N 2 2 291.355 0.483 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000660389480 414286273 /nfs/dbraw/zinc/28/62/73/414286273.db2.gz LTHHMDZSLZQQBO-XUXIUFHCSA-N 2 2 283.416 0.273 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000660389480 414286279 /nfs/dbraw/zinc/28/62/79/414286279.db2.gz LTHHMDZSLZQQBO-XUXIUFHCSA-N 2 2 283.416 0.273 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000660389480 414286288 /nfs/dbraw/zinc/28/62/88/414286288.db2.gz LTHHMDZSLZQQBO-XUXIUFHCSA-N 2 2 283.416 0.273 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000660389480 414286295 /nfs/dbraw/zinc/28/62/95/414286295.db2.gz LTHHMDZSLZQQBO-XUXIUFHCSA-N 2 2 283.416 0.273 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)N1CCCC1 ZINC000660469058 414344805 /nfs/dbraw/zinc/34/48/05/414344805.db2.gz OBOKONNZQUIMSX-OAHLLOKOSA-N 2 2 295.427 0.796 20 0 CCADLP O=C(C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)N1CCCC1 ZINC000660469058 414344814 /nfs/dbraw/zinc/34/48/14/414344814.db2.gz OBOKONNZQUIMSX-OAHLLOKOSA-N 2 2 295.427 0.796 20 0 CCADLP CCOC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660474198 414345605 /nfs/dbraw/zinc/34/56/05/414345605.db2.gz ZEMAYSMPENNCGT-CABCVRRESA-N 2 2 286.416 0.571 20 0 CCADLP CCOC[C@@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660474198 414345612 /nfs/dbraw/zinc/34/56/12/414345612.db2.gz ZEMAYSMPENNCGT-CABCVRRESA-N 2 2 286.416 0.571 20 0 CCADLP O=C1NCCC[C@H]1[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660477677 414351887 /nfs/dbraw/zinc/35/18/87/414351887.db2.gz HYZBSSDCOOCDSO-ZIAGYGMSSA-N 2 2 281.400 0.452 20 0 CCADLP O=C1NCCC[C@H]1[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660477677 414351895 /nfs/dbraw/zinc/35/18/95/414351895.db2.gz HYZBSSDCOOCDSO-ZIAGYGMSSA-N 2 2 281.400 0.452 20 0 CCADLP O=C1C[C@@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)CN1 ZINC000660484178 414353267 /nfs/dbraw/zinc/35/32/67/414353267.db2.gz VFPDQDYXWFSAQW-UONOGXRCSA-N 2 2 281.400 0.167 20 0 CCADLP O=C1C[C@@H](C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)CN1 ZINC000660484178 414353272 /nfs/dbraw/zinc/35/32/72/414353272.db2.gz VFPDQDYXWFSAQW-UONOGXRCSA-N 2 2 281.400 0.167 20 0 CCADLP CCN1CC[C@@H]([N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000660617836 414416533 /nfs/dbraw/zinc/41/65/33/414416533.db2.gz ZCLNEJGPHCDESI-TZMCWYRMSA-N 2 2 251.374 0.635 20 0 CCADLP CCN1CC[C@@H]([N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1=O ZINC000660617836 414416539 /nfs/dbraw/zinc/41/65/39/414416539.db2.gz ZCLNEJGPHCDESI-TZMCWYRMSA-N 2 2 251.374 0.635 20 0 CCADLP CCN1CC[C@@H]([NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)C1=O ZINC000660617836 414416546 /nfs/dbraw/zinc/41/65/46/414416546.db2.gz ZCLNEJGPHCDESI-TZMCWYRMSA-N 2 2 251.374 0.635 20 0 CCADLP CCN1CC[C@@H]([NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000660617836 414416550 /nfs/dbraw/zinc/41/65/50/414416550.db2.gz ZCLNEJGPHCDESI-TZMCWYRMSA-N 2 2 251.374 0.635 20 0 CCADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)N1CC[NH+](C)CC1)C2 ZINC000660654542 414428695 /nfs/dbraw/zinc/42/86/95/414428695.db2.gz GYVVCGFOQOASSA-MRXNPFEDSA-N 3 2 294.443 0.178 20 0 CCADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)N1CC[NH+](C)CC1)C2 ZINC000660654542 414428701 /nfs/dbraw/zinc/42/87/01/414428701.db2.gz GYVVCGFOQOASSA-MRXNPFEDSA-N 3 2 294.443 0.178 20 0 CCADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC(=O)N1CC[NH+](C)CC1)C2 ZINC000660654542 414428707 /nfs/dbraw/zinc/42/87/07/414428707.db2.gz GYVVCGFOQOASSA-MRXNPFEDSA-N 3 2 294.443 0.178 20 0 CCADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC(=O)N1CC[NH+](C)CC1)C2 ZINC000660654542 414428711 /nfs/dbraw/zinc/42/87/11/414428711.db2.gz GYVVCGFOQOASSA-MRXNPFEDSA-N 3 2 294.443 0.178 20 0 CCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654200 414430208 /nfs/dbraw/zinc/43/02/08/414430208.db2.gz YKTSDSOQMAWHBW-GXTWGEPZSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654200 414430215 /nfs/dbraw/zinc/43/02/15/414430215.db2.gz YKTSDSOQMAWHBW-GXTWGEPZSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@@H](C(=O)N(C)C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660654200 414430220 /nfs/dbraw/zinc/43/02/20/414430220.db2.gz YKTSDSOQMAWHBW-GXTWGEPZSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@@H](C(=O)N(C)C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660654200 414430226 /nfs/dbraw/zinc/43/02/26/414430226.db2.gz YKTSDSOQMAWHBW-GXTWGEPZSA-N 2 2 253.390 0.881 20 0 CCADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+]([C@@H]1CCCNC1=O)C2 ZINC000660659116 414432322 /nfs/dbraw/zinc/43/23/22/414432322.db2.gz KGBPAHQANRIQFJ-TZMCWYRMSA-N 2 2 251.374 0.683 20 0 CCADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+]([C@@H]1CCCNC1=O)C2 ZINC000660659116 414432329 /nfs/dbraw/zinc/43/23/29/414432329.db2.gz KGBPAHQANRIQFJ-TZMCWYRMSA-N 2 2 251.374 0.683 20 0 CCADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+]([C@@H]1CCCNC1=O)C2 ZINC000660659116 414432333 /nfs/dbraw/zinc/43/23/33/414432333.db2.gz KGBPAHQANRIQFJ-TZMCWYRMSA-N 2 2 251.374 0.683 20 0 CCADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+]([C@@H]1CCCNC1=O)C2 ZINC000660659116 414432338 /nfs/dbraw/zinc/43/23/38/414432338.db2.gz KGBPAHQANRIQFJ-TZMCWYRMSA-N 2 2 251.374 0.683 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660656062 414433977 /nfs/dbraw/zinc/43/39/77/414433977.db2.gz QRADWMODMXNYNJ-ZBFHGGJFSA-N 2 2 297.443 0.945 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660656062 414433980 /nfs/dbraw/zinc/43/39/80/414433980.db2.gz QRADWMODMXNYNJ-ZBFHGGJFSA-N 2 2 297.443 0.945 20 0 CCADLP COCCCNC(=O)[C@@H](C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660656062 414433982 /nfs/dbraw/zinc/43/39/82/414433982.db2.gz QRADWMODMXNYNJ-ZBFHGGJFSA-N 2 2 297.443 0.945 20 0 CCADLP COCCCNC(=O)[C@@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660656062 414433985 /nfs/dbraw/zinc/43/39/85/414433985.db2.gz QRADWMODMXNYNJ-ZBFHGGJFSA-N 2 2 297.443 0.945 20 0 CCADLP COC[C@H](C[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1)OC ZINC000660591176 414405199 /nfs/dbraw/zinc/40/51/99/414405199.db2.gz TZIVKJVQJLVMGJ-ZFWWWQNUSA-N 2 2 286.416 0.833 20 0 CCADLP COC[C@H](C[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1)OC ZINC000660591176 414405207 /nfs/dbraw/zinc/40/52/07/414405207.db2.gz TZIVKJVQJLVMGJ-ZFWWWQNUSA-N 2 2 286.416 0.833 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](CCO)C[C@H]2C)C[C@H](C)O1 ZINC000660759365 414476029 /nfs/dbraw/zinc/47/60/29/414476029.db2.gz GISCNVVHCXRCGC-KFWWJZLASA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[NH+](CCO)C[C@H]2C)C[C@H](C)O1 ZINC000660759365 414476032 /nfs/dbraw/zinc/47/60/32/414476032.db2.gz GISCNVVHCXRCGC-KFWWJZLASA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[N@H+](CCO)C[C@H]2C)C[C@H](C)O1 ZINC000660759365 414476037 /nfs/dbraw/zinc/47/60/37/414476037.db2.gz GISCNVVHCXRCGC-KFWWJZLASA-N 2 2 285.432 0.094 20 0 CCADLP Cc1[nH+]ccn1CCN1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000660824500 414492023 /nfs/dbraw/zinc/49/20/23/414492023.db2.gz OHJSUWCNWSDPGG-OLZOCXBDSA-N 2 2 266.389 0.578 20 0 CCADLP C[N@H+](CCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)C1CC1 ZINC000660841809 414502362 /nfs/dbraw/zinc/50/23/62/414502362.db2.gz RYGNBTFTNKIQFK-CQSZACIVSA-N 2 2 296.415 0.197 20 0 CCADLP C[N@@H+](CCNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)C1CC1 ZINC000660841809 414502365 /nfs/dbraw/zinc/50/23/65/414502365.db2.gz RYGNBTFTNKIQFK-CQSZACIVSA-N 2 2 296.415 0.197 20 0 CCADLP C[N@@H+](Cc1nnc2n1CCC2)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662259996 414701298 /nfs/dbraw/zinc/70/12/98/414701298.db2.gz DRSBXRKCYISPGW-NSHDSACASA-N 2 2 277.372 0.177 20 0 CCADLP C[N@H+](Cc1nnc2n1CCC2)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662259996 414701299 /nfs/dbraw/zinc/70/12/99/414701299.db2.gz DRSBXRKCYISPGW-NSHDSACASA-N 2 2 277.372 0.177 20 0 CCADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662264930 414702871 /nfs/dbraw/zinc/70/28/71/414702871.db2.gz SAPFFAQGAJBVEI-HUUCEWRRSA-N 3 2 285.432 0.408 20 0 CCADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662264930 414702872 /nfs/dbraw/zinc/70/28/72/414702872.db2.gz SAPFFAQGAJBVEI-HUUCEWRRSA-N 3 2 285.432 0.408 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000662265990 414703018 /nfs/dbraw/zinc/70/30/18/414703018.db2.gz VFQBVPWMQCVMLT-MJBXVCDLSA-N 3 2 253.390 0.439 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000662265990 414703019 /nfs/dbraw/zinc/70/30/19/414703019.db2.gz VFQBVPWMQCVMLT-MJBXVCDLSA-N 3 2 253.390 0.439 20 0 CCADLP CN(C)c1noc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000662267504 414703044 /nfs/dbraw/zinc/70/30/44/414703044.db2.gz WETQCUGPPHUAHX-AXFHLTTASA-N 2 2 265.361 0.695 20 0 CCADLP CN(C)c1noc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000662267504 414703045 /nfs/dbraw/zinc/70/30/45/414703045.db2.gz WETQCUGPPHUAHX-AXFHLTTASA-N 2 2 265.361 0.695 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CC2CC=CC2)C1 ZINC000662265448 414703336 /nfs/dbraw/zinc/70/33/36/414703336.db2.gz AQNJFKNRHMZIEG-AWEZNQCLSA-N 2 2 263.385 0.849 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CC2CC=CC2)C1 ZINC000662265448 414703337 /nfs/dbraw/zinc/70/33/37/414703337.db2.gz AQNJFKNRHMZIEG-AWEZNQCLSA-N 2 2 263.385 0.849 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000662282727 414705710 /nfs/dbraw/zinc/70/57/10/414705710.db2.gz JTKSSJLUTBSJSP-RDBSUJKOSA-N 2 2 254.374 0.866 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000662282727 414705711 /nfs/dbraw/zinc/70/57/11/414705711.db2.gz JTKSSJLUTBSJSP-RDBSUJKOSA-N 2 2 254.374 0.866 20 0 CCADLP Cc1ccc(NC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)c(C)c1 ZINC000662285552 414706409 /nfs/dbraw/zinc/70/64/09/414706409.db2.gz DBLOYHBFOSAPLB-UHFFFAOYSA-N 2 2 291.395 0.946 20 0 CCADLP CCc1ccccc1C[N@H+](CC[NH3+])C[C@H](O)CO ZINC000662287647 414706565 /nfs/dbraw/zinc/70/65/65/414706565.db2.gz FXSWYVJJGPZLBK-AWEZNQCLSA-N 2 2 252.358 0.363 20 0 CCADLP CCc1ccccc1C[N@@H+](CC[NH3+])C[C@H](O)CO ZINC000662287647 414706566 /nfs/dbraw/zinc/70/65/66/414706566.db2.gz FXSWYVJJGPZLBK-AWEZNQCLSA-N 2 2 252.358 0.363 20 0 CCADLP CC(C)N(C(=O)C[NH2+]C1(CO)CC[NH2+]CC1)C1CCCC1 ZINC000662287405 414706699 /nfs/dbraw/zinc/70/66/99/414706699.db2.gz ZWBCOZRHZKPAMJ-UHFFFAOYSA-N 2 2 297.443 0.870 20 0 CCADLP [NH3+]CC[N@@H+](Cc1cccc2ccccc21)C[C@H](O)CO ZINC000662289390 414707001 /nfs/dbraw/zinc/70/70/01/414707001.db2.gz PZIMJQBUEXCONA-HNNXBMFYSA-N 2 2 274.364 0.954 20 0 CCADLP [NH3+]CC[N@H+](Cc1cccc2ccccc21)C[C@H](O)CO ZINC000662289390 414707002 /nfs/dbraw/zinc/70/70/02/414707002.db2.gz PZIMJQBUEXCONA-HNNXBMFYSA-N 2 2 274.364 0.954 20 0 CCADLP COc1ccc([C@H](C[NH3+])C[N@H+](C)Cc2cn(C)nn2)cc1 ZINC000662310835 414708618 /nfs/dbraw/zinc/70/86/18/414708618.db2.gz NTBHDCICJHDHCT-CYBMUJFWSA-N 2 2 289.383 0.998 20 0 CCADLP COc1ccc([C@H](C[NH3+])C[N@@H+](C)Cc2cn(C)nn2)cc1 ZINC000662310835 414708619 /nfs/dbraw/zinc/70/86/19/414708619.db2.gz NTBHDCICJHDHCT-CYBMUJFWSA-N 2 2 289.383 0.998 20 0 CCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662316600 414708863 /nfs/dbraw/zinc/70/88/63/414708863.db2.gz JTLDESRRISFYET-STQMWFEESA-N 2 2 271.405 0.506 20 0 CCADLP C[C@@H](C(=O)N(C)C)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662316600 414708864 /nfs/dbraw/zinc/70/88/64/414708864.db2.gz JTLDESRRISFYET-STQMWFEESA-N 2 2 271.405 0.506 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)n1 ZINC000662310205 414708868 /nfs/dbraw/zinc/70/88/68/414708868.db2.gz HVYURWSTCGQGFR-RNCFNFMXSA-N 2 2 266.345 0.732 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@H+]2C[C@@H]3COC[C@]3(C)C2)n1 ZINC000662310205 414708869 /nfs/dbraw/zinc/70/88/69/414708869.db2.gz HVYURWSTCGQGFR-RNCFNFMXSA-N 2 2 266.345 0.732 20 0 CCADLP CCN(C)C(=O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662322925 414709943 /nfs/dbraw/zinc/70/99/43/414709943.db2.gz NSDNWMDFLHRCBB-ZDUSSCGKSA-N 2 2 271.405 0.507 20 0 CCADLP CCN(C)C(=O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662322925 414709944 /nfs/dbraw/zinc/70/99/44/414709944.db2.gz NSDNWMDFLHRCBB-ZDUSSCGKSA-N 2 2 271.405 0.507 20 0 CCADLP C[NH+](C)CCC[C@@H]1C[N@H+](CCn2cc[nH+]c2)CCO1 ZINC000662325309 414710413 /nfs/dbraw/zinc/71/04/13/414710413.db2.gz LJFUALCLMYRTGD-CQSZACIVSA-N 3 2 266.389 0.926 20 0 CCADLP C[NH+](C)CCC[C@@H]1C[N@@H+](CCn2cc[nH+]c2)CCO1 ZINC000662325309 414710414 /nfs/dbraw/zinc/71/04/14/414710414.db2.gz LJFUALCLMYRTGD-CQSZACIVSA-N 3 2 266.389 0.926 20 0 CCADLP CN(C)C(=O)N(C)[C@H]1CC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000662008709 414686487 /nfs/dbraw/zinc/68/64/87/414686487.db2.gz PWXRYRKPOHWONE-ZDUSSCGKSA-N 2 2 279.388 0.650 20 0 CCADLP CN(C)C(=O)N(C)[C@H]1CC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000662008709 414686488 /nfs/dbraw/zinc/68/64/88/414686488.db2.gz PWXRYRKPOHWONE-ZDUSSCGKSA-N 2 2 279.388 0.650 20 0 CCADLP C[C@@H]1CN(CC[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)CCO1 ZINC000662150677 414693457 /nfs/dbraw/zinc/69/34/57/414693457.db2.gz AARRNZGNVGMEPM-ZBFHGGJFSA-N 2 2 297.443 0.238 20 0 CCADLP C[C@@H]1CN(CC[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)CCO1 ZINC000662150677 414693458 /nfs/dbraw/zinc/69/34/58/414693458.db2.gz AARRNZGNVGMEPM-ZBFHGGJFSA-N 2 2 297.443 0.238 20 0 CCADLP O[C@H](C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)CC(F)(F)F ZINC000662151205 414693875 /nfs/dbraw/zinc/69/38/75/414693875.db2.gz GDYJCJHJHAEDOP-NEPJUHHUSA-N 2 2 296.333 0.831 20 0 CCADLP O[C@H](C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)CC(F)(F)F ZINC000662151205 414693876 /nfs/dbraw/zinc/69/38/76/414693876.db2.gz GDYJCJHJHAEDOP-NEPJUHHUSA-N 2 2 296.333 0.831 20 0 CCADLP CC(C)(C)n1nnc(CC[N@@H+]2CCCC[C@H]2C[NH3+])n1 ZINC000662246549 414698805 /nfs/dbraw/zinc/69/88/05/414698805.db2.gz ZBWACKHHPPIYRD-NSHDSACASA-N 2 2 266.393 0.784 20 0 CCADLP CC(C)(C)n1nnc(CC[N@H+]2CCCC[C@H]2C[NH3+])n1 ZINC000662246549 414698806 /nfs/dbraw/zinc/69/88/06/414698806.db2.gz ZBWACKHHPPIYRD-NSHDSACASA-N 2 2 266.393 0.784 20 0 CCADLP OCC[N@H+](C[C@@H]1C[NH2+]CCO1)[C@H]1CCc2ccccc21 ZINC000662254268 414700128 /nfs/dbraw/zinc/70/01/28/414700128.db2.gz GQTXKMPBLGVFJJ-HOCLYGCPSA-N 2 2 276.380 0.957 20 0 CCADLP OCC[N@@H+](C[C@@H]1C[NH2+]CCO1)[C@H]1CCc2ccccc21 ZINC000662254268 414700129 /nfs/dbraw/zinc/70/01/29/414700129.db2.gz GQTXKMPBLGVFJJ-HOCLYGCPSA-N 2 2 276.380 0.957 20 0 CCADLP CC(C)C(=O)NC1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662253854 414700258 /nfs/dbraw/zinc/70/02/58/414700258.db2.gz WVWFRSHIDGKSLB-ZDUSSCGKSA-N 2 2 269.389 0.211 20 0 CCADLP FC(F)(F)[C@@H]1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662256014 414700701 /nfs/dbraw/zinc/70/07/01/414700701.db2.gz HSMRKYJOLGJRBS-UWVGGRQHSA-N 2 2 280.290 0.771 20 0 CCADLP FC(F)(F)[C@@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662256014 414700702 /nfs/dbraw/zinc/70/07/02/414700702.db2.gz HSMRKYJOLGJRBS-UWVGGRQHSA-N 2 2 280.290 0.771 20 0 CCADLP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000662738954 414750900 /nfs/dbraw/zinc/75/09/00/414750900.db2.gz KIDAEDQYLVWELV-NWDGAFQWSA-N 2 2 274.324 0.314 20 0 CCADLP O=C(NCCn1cc[nH+]c1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000041120056 174485953 /nfs/dbraw/zinc/48/59/53/174485953.db2.gz PGXUOUSRHWYFCB-AVGNSLFASA-N 2 2 262.357 0.920 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000662629126 414734623 /nfs/dbraw/zinc/73/46/23/414734623.db2.gz BSBOXZRYUXTRDV-AVGNSLFASA-N 2 2 271.405 0.585 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000662629126 414734624 /nfs/dbraw/zinc/73/46/24/414734624.db2.gz BSBOXZRYUXTRDV-AVGNSLFASA-N 2 2 271.405 0.585 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000662632235 414734835 /nfs/dbraw/zinc/73/48/35/414734835.db2.gz ZCSPHMDXFCVJAI-SRVKXCTJSA-N 2 2 257.378 0.067 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000662632235 414734836 /nfs/dbraw/zinc/73/48/36/414734836.db2.gz ZCSPHMDXFCVJAI-SRVKXCTJSA-N 2 2 257.378 0.067 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000662632996 414735338 /nfs/dbraw/zinc/73/53/38/414735338.db2.gz WXSBZEJQXQNOAM-CYBMUJFWSA-N 3 2 270.421 0.114 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000662632996 414735339 /nfs/dbraw/zinc/73/53/39/414735339.db2.gz WXSBZEJQXQNOAM-CYBMUJFWSA-N 3 2 270.421 0.114 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000662632814 414735465 /nfs/dbraw/zinc/73/54/65/414735465.db2.gz UEOBURHXGCKMEX-CABCVRRESA-N 3 2 296.459 0.517 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000662632814 414735466 /nfs/dbraw/zinc/73/54/66/414735466.db2.gz UEOBURHXGCKMEX-CABCVRRESA-N 3 2 296.459 0.517 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(C[NH3+])cc1 ZINC000662633997 414735829 /nfs/dbraw/zinc/73/58/29/414735829.db2.gz PNYBQNIQDVYYEE-UHFFFAOYSA-N 3 2 292.427 0.759 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(C[NH3+])cc1 ZINC000662633997 414735830 /nfs/dbraw/zinc/73/58/30/414735830.db2.gz PNYBQNIQDVYYEE-UHFFFAOYSA-N 3 2 292.427 0.759 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1coc(C[NH3+])c1 ZINC000662636032 414736366 /nfs/dbraw/zinc/73/63/66/414736366.db2.gz XJOBJOAWOHJOTB-MNOVXSKESA-N 2 2 281.356 0.577 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1coc(C[NH3+])c1 ZINC000662636032 414736367 /nfs/dbraw/zinc/73/63/67/414736367.db2.gz XJOBJOAWOHJOTB-MNOVXSKESA-N 2 2 281.356 0.577 20 0 CCADLP [NH3+][C@H](C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000662656281 414737761 /nfs/dbraw/zinc/73/77/61/414737761.db2.gz OYWJAGSDTGVZRP-CABCVRRESA-N 2 2 289.379 0.620 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cnc2ccccn12 ZINC000662660431 414738356 /nfs/dbraw/zinc/73/83/56/414738356.db2.gz DHJJNRUISACYLI-JTQLQIEISA-N 2 2 261.329 0.552 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC[C@@]1(C)CC1(F)F ZINC000662665573 414738897 /nfs/dbraw/zinc/73/88/97/414738897.db2.gz KAOGBPHGDIUYHV-ONGXEEELSA-N 2 2 263.332 0.817 20 0 CCADLP [NH3+]C1(CC(=O)NCc2ccc[nH+]c2N2CCOCC2)CC1 ZINC000662676044 414739668 /nfs/dbraw/zinc/73/96/68/414739668.db2.gz VBVYSFJMPBCAST-UHFFFAOYSA-N 2 2 290.367 0.416 20 0 CCADLP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000662695336 414742446 /nfs/dbraw/zinc/74/24/46/414742446.db2.gz ZDBSDSKBPRLWDI-LSDHHAIUSA-N 2 2 289.379 0.482 20 0 CCADLP CO[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CCCC1 ZINC000662711490 414745140 /nfs/dbraw/zinc/74/51/40/414745140.db2.gz NKYBBHKIXGZWEW-STQMWFEESA-N 2 2 271.405 0.587 20 0 CCADLP O=C(NCC12CC(C1)C[NH2+]2)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000662714694 414745691 /nfs/dbraw/zinc/74/56/91/414745691.db2.gz LELJXDQHKACWDC-CXOJTPOUSA-N 2 2 293.411 0.498 20 0 CCADLP O=C(NCC12CC(C1)C[NH2+]2)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000662714694 414745692 /nfs/dbraw/zinc/74/56/92/414745692.db2.gz LELJXDQHKACWDC-CXOJTPOUSA-N 2 2 293.411 0.498 20 0 CCADLP C[C@@H](NC(=O)C1([NH3+])CC2(CCC2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000662720871 414746182 /nfs/dbraw/zinc/74/61/82/414746182.db2.gz MTIJGPBAONENQB-OLZOCXBDSA-N 2 2 295.427 0.873 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CCC[NH2+]CC2)[C@H](C)CO1 ZINC000662861208 414852283 /nfs/dbraw/zinc/85/22/83/414852283.db2.gz YETCXSJXCDNLJZ-MCIONIFRSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CCC[NH2+]CC2)[C@H](C)CO1 ZINC000662861208 414852288 /nfs/dbraw/zinc/85/22/88/414852288.db2.gz YETCXSJXCDNLJZ-MCIONIFRSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2CCCC[NH2+]2)[C@H](C)CO1 ZINC000662860497 414853165 /nfs/dbraw/zinc/85/31/65/414853165.db2.gz SCCHEDXSVFJZDC-JHJVBQTASA-N 2 2 269.389 0.354 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2CCCC[NH2+]2)[C@H](C)CO1 ZINC000662860497 414853169 /nfs/dbraw/zinc/85/31/69/414853169.db2.gz SCCHEDXSVFJZDC-JHJVBQTASA-N 2 2 269.389 0.354 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000662899683 414880424 /nfs/dbraw/zinc/88/04/24/414880424.db2.gz HXECPUOCZPDLDC-NWDGAFQWSA-N 2 2 280.372 0.849 20 0 CCADLP O=C([C@@H]1CCC[NH2+]1)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662911131 414887182 /nfs/dbraw/zinc/88/71/82/414887182.db2.gz RUSSMELHPZDTTD-AWEZNQCLSA-N 2 2 281.400 0.309 20 0 CCADLP C[C@]1(NC(=O)C2CC[NH+](CC(F)F)CC2)CC[NH2+]C1 ZINC000663013267 414950420 /nfs/dbraw/zinc/95/04/20/414950420.db2.gz KLSQPESWQZFATR-ZDUSSCGKSA-N 2 2 275.343 0.832 20 0 CCADLP C[C@H](O)CNc1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)nc[nH+]1 ZINC000663428948 415062716 /nfs/dbraw/zinc/06/27/16/415062716.db2.gz WSXCSLOHEXZYMO-WDEREUQCSA-N 2 2 277.372 0.918 20 0 CCADLP C[C@H](O)CNc1cc(N[C@@H]2CC[N@H+](C3CC3)C2)nc[nH+]1 ZINC000663428948 415062720 /nfs/dbraw/zinc/06/27/20/415062720.db2.gz WSXCSLOHEXZYMO-WDEREUQCSA-N 2 2 277.372 0.918 20 0 CCADLP c1cncc(C[NH2+]CCC[NH2+]C[C@@]23C[C@@H]2C[NH2+]C3)c1 ZINC000663494065 415076377 /nfs/dbraw/zinc/07/63/77/415076377.db2.gz LSXQUORDTVMSBS-HUUCEWRRSA-N 3 2 260.385 0.760 20 0 CCADLP C[C@H]1C[C@H]1CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000663717734 415119787 /nfs/dbraw/zinc/11/97/87/415119787.db2.gz VHHUUXXYCKGPDB-STQMWFEESA-N 2 2 270.421 0.825 20 0 CCADLP C[C@H]1C[C@H]1CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000663717734 415119792 /nfs/dbraw/zinc/11/97/92/415119792.db2.gz VHHUUXXYCKGPDB-STQMWFEESA-N 2 2 270.421 0.825 20 0 CCADLP CC1CC(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000664302137 415337019 /nfs/dbraw/zinc/33/70/19/415337019.db2.gz ZGWPWBXXIISRDC-UHFFFAOYSA-N 2 2 270.421 0.968 20 0 CCADLP CC1CC(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000664302137 415337026 /nfs/dbraw/zinc/33/70/26/415337026.db2.gz ZGWPWBXXIISRDC-UHFFFAOYSA-N 2 2 270.421 0.968 20 0 CCADLP CN(C)C(=O)CN(CC[NH+](C)C)c1[nH+]cnc2[nH]ccc21 ZINC000664354766 415358883 /nfs/dbraw/zinc/35/88/83/415358883.db2.gz FZJPHCQHYFGRQB-UHFFFAOYSA-N 2 2 290.371 0.414 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000664898103 415486630 /nfs/dbraw/zinc/48/66/30/415486630.db2.gz YPCJQPMAKLJCTG-AVGNSLFASA-N 2 2 286.420 0.345 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000664898103 415486638 /nfs/dbraw/zinc/48/66/38/415486638.db2.gz YPCJQPMAKLJCTG-AVGNSLFASA-N 2 2 286.420 0.345 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC000665235897 415573181 /nfs/dbraw/zinc/57/31/81/415573181.db2.gz BWMCLLXTYAEGEP-KXNHARMFSA-N 2 2 265.361 0.641 20 0 CCADLP Cc1cncc(CC[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)n1 ZINC000665274737 415583216 /nfs/dbraw/zinc/58/32/16/415583216.db2.gz XGMJUOMEHCHAJS-FZMZJTMJSA-N 2 2 264.373 0.684 20 0 CCADLP C[C@H]([NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)c1nccn1C ZINC000665283409 415588430 /nfs/dbraw/zinc/58/84/30/415588430.db2.gz NGSFGUWIELCTNE-CYZMBNFOSA-N 2 2 264.373 0.838 20 0 CCADLP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292129 415591160 /nfs/dbraw/zinc/59/11/60/415591160.db2.gz UANJHXPXACAZFQ-CABZTGNLSA-N 2 2 277.372 0.213 20 0 CCADLP C[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)S(C)(=O)=O ZINC000665299936 415593932 /nfs/dbraw/zinc/59/39/32/415593932.db2.gz VNNWLDZGFRBOKG-RKDXNWHRSA-N 2 2 257.359 0.578 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(=O)n3ccccc3n2)C1 ZINC000071146709 176042394 /nfs/dbraw/zinc/04/23/94/176042394.db2.gz AQFMWQFZVAHFMK-GFCCVEGCSA-N 2 2 272.352 0.736 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(=O)n3ccccc3n2)C1 ZINC000071146709 176042395 /nfs/dbraw/zinc/04/23/95/176042395.db2.gz AQFMWQFZVAHFMK-GFCCVEGCSA-N 2 2 272.352 0.736 20 0 CCADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1nccn1C(F)F ZINC000071150163 176044893 /nfs/dbraw/zinc/04/48/93/176044893.db2.gz OERJQGGLFOJCJH-UHFFFAOYSA-N 2 2 273.331 0.615 20 0 CCADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1nccn1C(F)F ZINC000071150163 176044895 /nfs/dbraw/zinc/04/48/95/176044895.db2.gz OERJQGGLFOJCJH-UHFFFAOYSA-N 2 2 273.331 0.615 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000417929002 227210094 /nfs/dbraw/zinc/21/00/94/227210094.db2.gz RYHRHTMRTMXAEU-NWDGAFQWSA-N 2 2 277.372 0.697 20 0 CCADLP Cc1cc(C[NH2+]C[C@H](C)C[NH+]2CCOCC2)n(C)n1 ZINC000417939669 227242791 /nfs/dbraw/zinc/24/27/91/227242791.db2.gz KNPZCEVCWUAYPR-LBPRGKRZSA-N 2 2 266.389 0.786 20 0 CCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccncc1 ZINC000035125194 544419765 /nfs/dbraw/zinc/41/97/65/544419765.db2.gz AZXDNIIFECLUIJ-GFCCVEGCSA-N 2 2 262.357 0.506 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCc3ccccc3C2)CC1 ZINC000049899719 544436880 /nfs/dbraw/zinc/43/68/80/544436880.db2.gz OVHRJRRFAUXOGE-INIZCTEOSA-N 2 2 287.407 0.908 20 0 CCADLP C[C@H](CO)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131273035 544618836 /nfs/dbraw/zinc/61/88/36/544618836.db2.gz HEZXXMDWBWTKPZ-WCQYABFASA-N 2 2 269.389 0.029 20 0 CCADLP C[C@H](CO)C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131273035 544618841 /nfs/dbraw/zinc/61/88/41/544618841.db2.gz HEZXXMDWBWTKPZ-WCQYABFASA-N 2 2 269.389 0.029 20 0 CCADLP C[C@@H](C[NH2+]CCC[NH+]1CCCCC1)S(C)(=O)=O ZINC000168436830 544729831 /nfs/dbraw/zinc/72/98/31/544729831.db2.gz UUVHUXZSKFYSJQ-LBPRGKRZSA-N 2 2 262.419 0.885 20 0 CCADLP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261630882 287615880 /nfs/dbraw/zinc/61/58/80/287615880.db2.gz BGSANCWEQMOSJM-MELADBBJSA-N 2 2 282.432 0.269 20 0 CCADLP [NH3+]C1(CC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)CCC1 ZINC000237980534 544900227 /nfs/dbraw/zinc/90/02/27/544900227.db2.gz NXBRFVVJSXJMCV-ZDUSSCGKSA-N 2 2 281.400 0.581 20 0 CCADLP CCc1cc(NCC(=O)N2CC[NH+](CC)CC2)nc(C)[nH+]1 ZINC000272937956 544951653 /nfs/dbraw/zinc/95/16/53/544951653.db2.gz WJWPAGDWKYIFTC-UHFFFAOYSA-N 2 2 291.399 0.923 20 0 CCADLP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC(=O)N(C3CC3)C2=O)C1 ZINC000250596903 544924278 /nfs/dbraw/zinc/92/42/78/544924278.db2.gz IXLIBYRPRFACCD-PWSUYJOCSA-N 2 2 265.357 0.208 20 0 CCADLP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CC(=O)N(C3CC3)C2=O)C1 ZINC000250596903 544924282 /nfs/dbraw/zinc/92/42/82/544924282.db2.gz IXLIBYRPRFACCD-PWSUYJOCSA-N 2 2 265.357 0.208 20 0 CCADLP OCCCOC1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000305636344 544990862 /nfs/dbraw/zinc/99/08/62/544990862.db2.gz ORONYAKQLGCBSB-UHFFFAOYSA-N 2 2 253.346 0.747 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000353453056 545071026 /nfs/dbraw/zinc/07/10/26/545071026.db2.gz XRIVJUUBJSEEGG-GFCCVEGCSA-N 2 2 266.345 0.179 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000353453056 545071027 /nfs/dbraw/zinc/07/10/27/545071027.db2.gz XRIVJUUBJSEEGG-GFCCVEGCSA-N 2 2 266.345 0.179 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000353453056 545071029 /nfs/dbraw/zinc/07/10/29/545071029.db2.gz XRIVJUUBJSEEGG-GFCCVEGCSA-N 2 2 266.345 0.179 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000353453056 545071030 /nfs/dbraw/zinc/07/10/30/545071030.db2.gz XRIVJUUBJSEEGG-GFCCVEGCSA-N 2 2 266.345 0.179 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000336844472 545051317 /nfs/dbraw/zinc/05/13/17/545051317.db2.gz ZPOPBXWZGFNOAB-NSHDSACASA-N 2 2 294.321 0.848 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCCc2nccs2)[C@@H](C[NH3+])C1 ZINC000519120011 265324758 /nfs/dbraw/zinc/32/47/58/265324758.db2.gz IDEFLZQCCJOHBZ-NSHDSACASA-N 2 2 297.428 0.360 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCCc2nccs2)[C@@H](C[NH3+])C1 ZINC000519120011 265324759 /nfs/dbraw/zinc/32/47/59/265324759.db2.gz IDEFLZQCCJOHBZ-NSHDSACASA-N 2 2 297.428 0.360 20 0 CCADLP COCC[C@H](C)C[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000519141584 265331038 /nfs/dbraw/zinc/33/10/38/265331038.db2.gz MPRHEVLWUURZAF-AJNGGQMLSA-N 2 2 288.432 0.719 20 0 CCADLP CC(C)C[C@H](C)N(C)C(=O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420348795 279097984 /nfs/dbraw/zinc/09/79/84/279097984.db2.gz AZRVUUVUPAWWRS-RYUDHWBXSA-N 2 2 259.394 0.131 20 0 CCADLP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420348795 279097985 /nfs/dbraw/zinc/09/79/85/279097985.db2.gz AZRVUUVUPAWWRS-RYUDHWBXSA-N 2 2 259.394 0.131 20 0 CCADLP Cc1cn2c([nH+]1)CN(c1cc(-n3cccn3)nc(N)[nH+]1)CC2 ZINC000374721705 274823833 /nfs/dbraw/zinc/82/38/33/274823833.db2.gz URTIDZWMKMFSHO-UHFFFAOYSA-N 2 2 296.338 0.600 20 0 CCADLP CC(=O)N1CCC[C@@H](C[NH2+]Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425346751 275453515 /nfs/dbraw/zinc/45/35/15/275453515.db2.gz WVCGWMOVLWTHSN-ZDUSSCGKSA-N 2 2 293.415 0.834 20 0 CCADLP CC[N@@H+]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000336173515 276163786 /nfs/dbraw/zinc/16/37/86/276163786.db2.gz WIBXSARSIVQVAZ-ZDUSSCGKSA-N 2 2 276.384 1.000 20 0 CCADLP CC[N@H+]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000336173515 276163787 /nfs/dbraw/zinc/16/37/87/276163787.db2.gz WIBXSARSIVQVAZ-ZDUSSCGKSA-N 2 2 276.384 1.000 20 0 CCADLP CCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129220546 276236550 /nfs/dbraw/zinc/23/65/50/276236550.db2.gz NJARVZYQZUCQOC-HUUCEWRRSA-N 2 2 297.443 0.945 20 0 CCADLP CCCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129220546 276236553 /nfs/dbraw/zinc/23/65/53/276236553.db2.gz NJARVZYQZUCQOC-HUUCEWRRSA-N 2 2 297.443 0.945 20 0 CCADLP CC[N@H+](C)C[C@@H]1CCN(CC[NH+]2CCOC[C@H]2C)C1 ZINC000248887739 276306616 /nfs/dbraw/zinc/30/66/16/276306616.db2.gz AIRSJXLVRVKVAB-CABCVRRESA-N 2 2 269.433 0.981 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CCN(CC[NH+]2CCOC[C@H]2C)C1 ZINC000248887739 276306618 /nfs/dbraw/zinc/30/66/18/276306618.db2.gz AIRSJXLVRVKVAB-CABCVRRESA-N 2 2 269.433 0.981 20 0 CCADLP CC[NH+](C)C[C@@H]1CCN(CC[N@@H+]2CCOC[C@H]2C)C1 ZINC000248887739 276306619 /nfs/dbraw/zinc/30/66/19/276306619.db2.gz AIRSJXLVRVKVAB-CABCVRRESA-N 2 2 269.433 0.981 20 0 CCADLP CC[NH+](C)C[C@@H]1CCN(CC[N@H+]2CCOC[C@H]2C)C1 ZINC000248887739 276306621 /nfs/dbraw/zinc/30/66/21/276306621.db2.gz AIRSJXLVRVKVAB-CABCVRRESA-N 2 2 269.433 0.981 20 0 CCADLP CCN1C(=O)[C@@H]2C[N@H+](CCCn3cc[nH+]c3)CCN2C1=O ZINC000367586172 276356658 /nfs/dbraw/zinc/35/66/58/276356658.db2.gz FRVIGLMUHLYANH-LBPRGKRZSA-N 2 2 291.355 0.242 20 0 CCADLP CCN1C(=O)[C@@H]2C[N@@H+](CCCn3cc[nH+]c3)CCN2C1=O ZINC000367586172 276356660 /nfs/dbraw/zinc/35/66/60/276356660.db2.gz FRVIGLMUHLYANH-LBPRGKRZSA-N 2 2 291.355 0.242 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1c(C)noc1C ZINC000380486508 545084354 /nfs/dbraw/zinc/08/43/54/545084354.db2.gz BGQPRZGYMKSSKG-ZWNOBZJWSA-N 2 2 285.388 0.881 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1c(C)noc1C ZINC000380486508 545084355 /nfs/dbraw/zinc/08/43/55/545084355.db2.gz BGQPRZGYMKSSKG-ZWNOBZJWSA-N 2 2 285.388 0.881 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377196782 277029976 /nfs/dbraw/zinc/02/99/76/277029976.db2.gz JTJMALISWMSCQP-QWHCGFSZSA-N 3 2 282.432 0.127 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377196782 277029978 /nfs/dbraw/zinc/02/99/78/277029978.db2.gz JTJMALISWMSCQP-QWHCGFSZSA-N 3 2 282.432 0.127 20 0 CCADLP COC[C@H](C)[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000367310062 277257519 /nfs/dbraw/zinc/25/75/19/277257519.db2.gz LUDYYLTUZKFAPH-AAEUAGOBSA-N 2 2 269.389 0.435 20 0 CCADLP COC[C@H](C)[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000367310062 277257521 /nfs/dbraw/zinc/25/75/21/277257521.db2.gz LUDYYLTUZKFAPH-AAEUAGOBSA-N 2 2 269.389 0.435 20 0 CCADLP CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1C ZINC000330366268 277289345 /nfs/dbraw/zinc/28/93/45/277289345.db2.gz YVZRVTOPDAKZQZ-LBPRGKRZSA-N 2 2 286.401 0.205 20 0 CCADLP CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1C ZINC000330366268 277289346 /nfs/dbraw/zinc/28/93/46/277289346.db2.gz YVZRVTOPDAKZQZ-LBPRGKRZSA-N 2 2 286.401 0.205 20 0 CCADLP COC(=O)C[C@]1([NH2+]Cc2c[nH+]c(N(C)C)n2C)CCOC1 ZINC000425335524 277331175 /nfs/dbraw/zinc/33/11/75/277331175.db2.gz IEABIIBYCBCRDY-CQSZACIVSA-N 2 2 296.371 0.298 20 0 CCADLP COC(=O)[C@H](C1CC1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000310776643 277383073 /nfs/dbraw/zinc/38/30/73/277383073.db2.gz ARVKFMFLNDDIBS-JSGCOSHPSA-N 2 2 252.358 0.966 20 0 CCADLP COC(=O)[C@H](C1CC1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000310776643 277383074 /nfs/dbraw/zinc/38/30/74/277383074.db2.gz ARVKFMFLNDDIBS-JSGCOSHPSA-N 2 2 252.358 0.966 20 0 CCADLP COC(=O)[C@H](C1CC1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000310776643 277383076 /nfs/dbraw/zinc/38/30/76/277383076.db2.gz ARVKFMFLNDDIBS-JSGCOSHPSA-N 2 2 252.358 0.966 20 0 CCADLP COC(=O)[C@H](C1CC1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000310776643 277383077 /nfs/dbraw/zinc/38/30/77/277383077.db2.gz ARVKFMFLNDDIBS-JSGCOSHPSA-N 2 2 252.358 0.966 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423347538 278217110 /nfs/dbraw/zinc/21/71/10/278217110.db2.gz ROERNKKZXGMERQ-MGPQQGTHSA-N 3 2 255.406 0.733 20 0 CCADLP C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH3+])[C@H](C)[NH+]1CCOCC1 ZINC000424450544 278245166 /nfs/dbraw/zinc/24/51/66/278245166.db2.gz ATLBJQQOHFQVKG-IGQOVBAYSA-N 2 2 298.431 0.665 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCN1C(=O)CCC1=O ZINC000063195108 278312948 /nfs/dbraw/zinc/31/29/48/278312948.db2.gz LXJYVAKXBRPWOK-MNOVXSKESA-N 2 2 253.346 0.337 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCN1C(=O)CCC1=O ZINC000063195108 278312950 /nfs/dbraw/zinc/31/29/50/278312950.db2.gz LXJYVAKXBRPWOK-MNOVXSKESA-N 2 2 253.346 0.337 20 0 CCADLP C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000020052890 278336306 /nfs/dbraw/zinc/33/63/06/278336306.db2.gz ATMZXHQGZSSCTR-STQMWFEESA-N 2 2 253.390 0.929 20 0 CCADLP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)CO1 ZINC000418061795 278369344 /nfs/dbraw/zinc/36/93/44/278369344.db2.gz AXXOOLZUISPHHI-OLZOCXBDSA-N 2 2 256.390 0.990 20 0 CCADLP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCC[N@H+]2CCO)CO1 ZINC000418061795 278369346 /nfs/dbraw/zinc/36/93/46/278369346.db2.gz AXXOOLZUISPHHI-OLZOCXBDSA-N 2 2 256.390 0.990 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000423156145 278373149 /nfs/dbraw/zinc/37/31/49/278373149.db2.gz RWGPQAOWOFGAPG-FQUUOJAGSA-N 2 2 253.390 0.437 20 0 CCADLP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCCn1cc[nH+]c1 ZINC000228909340 278434502 /nfs/dbraw/zinc/43/45/02/278434502.db2.gz QGDYRHUQFLNMCB-YWPYICTPSA-N 2 2 292.383 0.532 20 0 CCADLP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423394546 289962947 /nfs/dbraw/zinc/96/29/47/289962947.db2.gz QHOMDQGYBCCPEB-SDDRHHMPSA-N 3 2 294.365 0.553 20 0 CCADLP CC(C)COC[C@H](O)C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000422972584 278927163 /nfs/dbraw/zinc/92/71/63/278927163.db2.gz MHFHBOBQJWAJSI-BFHYXJOUSA-N 2 2 274.405 0.377 20 0 CCADLP CC(C)C[C@@H]([NH3+])CN1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000414684554 278995802 /nfs/dbraw/zinc/99/58/02/278995802.db2.gz VXUQYCKDHOVVJM-ZIAGYGMSSA-N 2 2 296.459 0.645 20 0 CCADLP C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000419394068 279084049 /nfs/dbraw/zinc/08/40/49/279084049.db2.gz OKHIUHVPAGUTPW-FRRDWIJNSA-N 2 2 253.390 0.737 20 0 CCADLP C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000419394068 279084052 /nfs/dbraw/zinc/08/40/52/279084052.db2.gz OKHIUHVPAGUTPW-FRRDWIJNSA-N 2 2 253.390 0.737 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC[N@H+]1C ZINC000356847982 279100763 /nfs/dbraw/zinc/10/07/63/279100763.db2.gz KFKRXWSLIFDTDR-AGIUHOORSA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@H]1[C@H](C)N(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1C ZINC000356847982 279100766 /nfs/dbraw/zinc/10/07/66/279100766.db2.gz KFKRXWSLIFDTDR-AGIUHOORSA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)CCn1cc[nH+]c1 ZINC000294620111 279112038 /nfs/dbraw/zinc/11/20/38/279112038.db2.gz KOZVDHKDIGSGHC-CHWSQXEVSA-N 2 2 280.372 0.187 20 0 CCADLP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)CCn1cc[nH+]c1 ZINC000294620111 279112040 /nfs/dbraw/zinc/11/20/40/279112040.db2.gz KOZVDHKDIGSGHC-CHWSQXEVSA-N 2 2 280.372 0.187 20 0 CCADLP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC)C1 ZINC000342418513 279134793 /nfs/dbraw/zinc/13/47/93/279134793.db2.gz UFZSOCUJKAIUPG-CABCVRRESA-N 2 2 297.443 0.897 20 0 CCADLP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CC)C1 ZINC000342418513 279134794 /nfs/dbraw/zinc/13/47/94/279134794.db2.gz UFZSOCUJKAIUPG-CABCVRRESA-N 2 2 297.443 0.897 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC[C@@H]1CCC[NH+]1CCCO ZINC000449387615 288124039 /nfs/dbraw/zinc/12/40/39/288124039.db2.gz MEJSIRMOUBXSGS-KBMXLJTQSA-N 2 2 281.444 0.906 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC[C@@H]1CCC[NH+]1CCCO ZINC000449387615 288124043 /nfs/dbraw/zinc/12/40/43/288124043.db2.gz MEJSIRMOUBXSGS-KBMXLJTQSA-N 2 2 281.444 0.906 20 0 CCADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC[C@@H]1CCC[N@@H+]1CCCO ZINC000449387615 288124048 /nfs/dbraw/zinc/12/40/48/288124048.db2.gz MEJSIRMOUBXSGS-KBMXLJTQSA-N 2 2 281.444 0.906 20 0 CCADLP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC[C@@H]1CCC[N@H+]1CCCO ZINC000449387615 288124050 /nfs/dbraw/zinc/12/40/50/288124050.db2.gz MEJSIRMOUBXSGS-KBMXLJTQSA-N 2 2 281.444 0.906 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCC1(O)CCOCC1 ZINC000353863701 288131909 /nfs/dbraw/zinc/13/19/09/288131909.db2.gz HAGJRVYXSADOBE-TZMCWYRMSA-N 2 2 268.401 0.990 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCC1(O)CCOCC1 ZINC000353863701 288131911 /nfs/dbraw/zinc/13/19/11/288131911.db2.gz HAGJRVYXSADOBE-TZMCWYRMSA-N 2 2 268.401 0.990 20 0 CCADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C[NH3+])CC1 ZINC000335006376 279618725 /nfs/dbraw/zinc/61/87/25/279618725.db2.gz MBJRDNQFXLTXSH-SNVBAGLBSA-N 2 2 253.371 0.912 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N1CCC[NH2+]CC1 ZINC000331922256 281284735 /nfs/dbraw/zinc/28/47/35/281284735.db2.gz GVUQBILRXRFWHF-UHFFFAOYSA-N 2 2 284.404 0.102 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)N1CCC[NH2+]CC1 ZINC000331922256 281284740 /nfs/dbraw/zinc/28/47/40/281284740.db2.gz GVUQBILRXRFWHF-UHFFFAOYSA-N 2 2 284.404 0.102 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423404607 288852660 /nfs/dbraw/zinc/85/26/60/288852660.db2.gz SOBVVJBXUGFNFK-ZQNQSHIBSA-N 3 2 267.417 0.874 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000237083702 289069130 /nfs/dbraw/zinc/06/91/30/289069130.db2.gz CSDRORGGUPXSMJ-UONOGXRCSA-N 3 2 296.459 0.646 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353499826 289209081 /nfs/dbraw/zinc/20/90/81/289209081.db2.gz DJOBMBIPGMCDAB-SYQHCUMBSA-N 3 2 255.406 0.371 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353499826 289209082 /nfs/dbraw/zinc/20/90/82/289209082.db2.gz DJOBMBIPGMCDAB-SYQHCUMBSA-N 3 2 255.406 0.371 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000173785854 289244820 /nfs/dbraw/zinc/24/48/20/289244820.db2.gz ORLGVJARCAEJDC-CHWSQXEVSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000173785854 289244826 /nfs/dbraw/zinc/24/48/26/289244826.db2.gz ORLGVJARCAEJDC-CHWSQXEVSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@H](C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC000449199741 289273317 /nfs/dbraw/zinc/27/33/17/289273317.db2.gz FYEUCDHAFFIQQL-RBSFLKMASA-N 2 2 295.427 0.555 20 0 CCADLP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)NC(=O)NC2CC2)CC1 ZINC000408380568 289373501 /nfs/dbraw/zinc/37/35/01/289373501.db2.gz ANUUNUSORKTPGQ-LBPRGKRZSA-N 2 2 282.388 0.391 20 0 CCADLP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CC2)CC1 ZINC000408380568 289373506 /nfs/dbraw/zinc/37/35/06/289373506.db2.gz ANUUNUSORKTPGQ-LBPRGKRZSA-N 2 2 282.388 0.391 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342106133 289385666 /nfs/dbraw/zinc/38/56/66/289385666.db2.gz OXGIUAJTLYHHDA-VOAKCMCISA-N 2 2 289.383 0.863 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342106133 289385667 /nfs/dbraw/zinc/38/56/67/289385667.db2.gz OXGIUAJTLYHHDA-VOAKCMCISA-N 2 2 289.383 0.863 20 0 CCADLP COC[C@H]1CC[N@@H+]1CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000495979692 293218385 /nfs/dbraw/zinc/21/83/85/293218385.db2.gz HHILZQVRHMIPRX-HIFRSBDPSA-N 2 2 295.383 0.581 20 0 CCADLP COC[C@H]1CC[N@H+]1CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000495979692 293218386 /nfs/dbraw/zinc/21/83/86/293218386.db2.gz HHILZQVRHMIPRX-HIFRSBDPSA-N 2 2 295.383 0.581 20 0 CCADLP Cn1cc(N2CC[C@H]([N@@H+]3CCC[C@H](C[NH3+])C3)C2=O)cn1 ZINC000430647567 294253607 /nfs/dbraw/zinc/25/36/07/294253607.db2.gz GEASGRYMVSESEB-YPMHNXCESA-N 2 2 277.372 0.196 20 0 CCADLP Cn1cc(N2CC[C@H]([N@H+]3CCC[C@H](C[NH3+])C3)C2=O)cn1 ZINC000430647567 294253611 /nfs/dbraw/zinc/25/36/11/294253611.db2.gz GEASGRYMVSESEB-YPMHNXCESA-N 2 2 277.372 0.196 20 0 CCADLP [NH3+][C@H]1CCN(c2cc(N3CCSCC3)[nH+]cn2)C1 ZINC000045948066 295340800 /nfs/dbraw/zinc/34/08/00/295340800.db2.gz ZDVFWTMNYBGUJU-JTQLQIEISA-N 2 2 265.386 0.567 20 0 CCADLP CC(C)([NH3+])CCC(=O)NC[C@@H]1CN2CC[N@@H+]1CCC2 ZINC000394371300 545087980 /nfs/dbraw/zinc/08/79/80/545087980.db2.gz GKNBHXKJFBWWLI-GFCCVEGCSA-N 2 2 268.405 0.010 20 0 CCADLP CC(C)([NH3+])CCC(=O)NC[C@@H]1CN2CC[N@H+]1CCC2 ZINC000394371300 545087981 /nfs/dbraw/zinc/08/79/81/545087981.db2.gz GKNBHXKJFBWWLI-GFCCVEGCSA-N 2 2 268.405 0.010 20 0 CCADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000479471512 298270583 /nfs/dbraw/zinc/27/05/83/298270583.db2.gz FEXZRFCSDYKSTP-KGLIPLIRSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@H](CCN1CCOCC1)[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422910014 298432310 /nfs/dbraw/zinc/43/23/10/298432310.db2.gz HFPMNCKZAZXYDU-FVQBIDKESA-N 2 2 297.443 0.454 20 0 CCADLP C[C@H](C[NH3+])C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000286015918 298519699 /nfs/dbraw/zinc/51/96/99/298519699.db2.gz JOZKQYVECCZGDA-CHWSQXEVSA-N 2 2 276.384 0.882 20 0 CCADLP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]CC[NH3+] ZINC000423187686 302127309 /nfs/dbraw/zinc/12/73/09/302127309.db2.gz PAVNNEFBIBOHSK-OAHLLOKOSA-N 2 2 263.385 0.917 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000364950457 303329563 /nfs/dbraw/zinc/32/95/63/303329563.db2.gz OVUCUAUZILJPMA-LSDHHAIUSA-N 2 2 295.427 0.970 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000364950457 303329565 /nfs/dbraw/zinc/32/95/65/303329565.db2.gz OVUCUAUZILJPMA-LSDHHAIUSA-N 2 2 295.427 0.970 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000580074702 327691543 /nfs/dbraw/zinc/69/15/43/327691543.db2.gz ZSXQDVGREIDPNT-NWDGAFQWSA-N 2 2 295.387 0.022 20 0 CCADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCCCCn1cc[nH+]c1 ZINC000580074704 327691642 /nfs/dbraw/zinc/69/16/42/327691642.db2.gz ZSXQDVGREIDPNT-VXGBXAGGSA-N 2 2 295.387 0.022 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3ccccc3F)CCN2C1=O ZINC000580903377 328064683 /nfs/dbraw/zinc/06/46/83/328064683.db2.gz SIDKETHMKWHCOJ-DGCLKSJQSA-N 2 2 263.316 0.570 20 0 CCADLP Cc1nn(C)cc1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000583001303 329300673 /nfs/dbraw/zinc/30/06/73/329300673.db2.gz HHSVPVXOFWXUQD-UHFFFAOYSA-N 2 2 266.389 0.665 20 0 CCADLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)nn2)[C@@H](C)C[NH2+]1 ZINC000566187928 327160674 /nfs/dbraw/zinc/16/06/74/327160674.db2.gz MCCLFWDCERYTFE-MNOVXSKESA-N 2 2 286.339 0.485 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000584286469 327218555 /nfs/dbraw/zinc/21/85/55/327218555.db2.gz QWACRKUXLQKAKT-TUVASFSCSA-N 2 2 296.415 0.331 20 0 CCADLP O[C@@H]1CCCC[C@H]1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000578637806 327347913 /nfs/dbraw/zinc/34/79/13/327347913.db2.gz LCJKLNMOOBDRAP-XGUBFFRZSA-N 2 2 268.401 0.894 20 0 CCADLP C[C@H](c1nnnn1C1CC1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000583431174 327360753 /nfs/dbraw/zinc/36/07/53/327360753.db2.gz CGWKJFPGHIUMOY-MXWKQRLJSA-N 2 2 264.377 0.986 20 0 CCADLP C[C@H](c1nnnn1C1CC1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000583431174 327360755 /nfs/dbraw/zinc/36/07/55/327360755.db2.gz CGWKJFPGHIUMOY-MXWKQRLJSA-N 2 2 264.377 0.986 20 0 CCADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)Cc1c[nH+]cn1C ZINC000583650712 328727145 /nfs/dbraw/zinc/72/71/45/328727145.db2.gz QMYMOYGZOXTOOV-ZDUSSCGKSA-N 2 2 282.388 0.436 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@](C)(OC)C1 ZINC000394069104 329100716 /nfs/dbraw/zinc/10/07/16/329100716.db2.gz NQXFHZHPEGKAQC-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@](C)(OC)C1 ZINC000394069104 329100717 /nfs/dbraw/zinc/10/07/17/329100717.db2.gz NQXFHZHPEGKAQC-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@](C)(OC)C1 ZINC000394069104 329100718 /nfs/dbraw/zinc/10/07/18/329100718.db2.gz NQXFHZHPEGKAQC-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@](C)(OC)C1 ZINC000394069104 329100719 /nfs/dbraw/zinc/10/07/19/329100719.db2.gz NQXFHZHPEGKAQC-KGLIPLIRSA-N 2 2 274.405 0.426 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000582786812 329198582 /nfs/dbraw/zinc/19/85/82/329198582.db2.gz IVJWLFPGLKDTNB-GMXVVIOVSA-N 2 2 251.374 0.809 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000582786812 329198584 /nfs/dbraw/zinc/19/85/84/329198584.db2.gz IVJWLFPGLKDTNB-GMXVVIOVSA-N 2 2 251.374 0.809 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCCN(CC(F)(F)F)CC1 ZINC000582823832 329268881 /nfs/dbraw/zinc/26/88/81/329268881.db2.gz SBHPOMBOFMZYOP-LBPRGKRZSA-N 2 2 297.365 0.869 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCN(CC(F)(F)F)CC1 ZINC000582823832 329268882 /nfs/dbraw/zinc/26/88/82/329268882.db2.gz SBHPOMBOFMZYOP-LBPRGKRZSA-N 2 2 297.365 0.869 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000582823832 329268883 /nfs/dbraw/zinc/26/88/83/329268883.db2.gz SBHPOMBOFMZYOP-LBPRGKRZSA-N 2 2 297.365 0.869 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000582823832 329268884 /nfs/dbraw/zinc/26/88/84/329268884.db2.gz SBHPOMBOFMZYOP-LBPRGKRZSA-N 2 2 297.365 0.869 20 0 CCADLP C[NH2+]CCC[NH2+][C@H](CS(C)(=O)=O)c1ccccc1 ZINC000582905745 329284204 /nfs/dbraw/zinc/28/42/04/329284204.db2.gz FJFVNQTUDMRSEE-CYBMUJFWSA-N 2 2 270.398 0.971 20 0 CCADLP C[C@H]1CC[N@H+](CCNCc2c[nH+]c(N(C)C)n2C)C1 ZINC000582951613 329293113 /nfs/dbraw/zinc/29/31/13/329293113.db2.gz HREITMQDLLVTQS-LBPRGKRZSA-N 2 2 265.405 0.918 20 0 CCADLP C[C@H]1CC[N@@H+](CCNCc2c[nH+]c(N(C)C)n2C)C1 ZINC000582951613 329293114 /nfs/dbraw/zinc/29/31/14/329293114.db2.gz HREITMQDLLVTQS-LBPRGKRZSA-N 2 2 265.405 0.918 20 0 CCADLP CO[C@H]1COCC[C@@H]1C[NH2+]Cc1c[nH+]c(C)n1C ZINC000582975158 329297635 /nfs/dbraw/zinc/29/76/35/329297635.db2.gz DNYDBQZQYKXDTA-YPMHNXCESA-N 2 2 253.346 0.870 20 0 CCADLP COc1c(N)[nH+]cnc1N1CCC([N@H+](C)CCCO)CC1 ZINC000583093631 329315122 /nfs/dbraw/zinc/31/51/22/329315122.db2.gz BPDWHGUBFMCXRO-UHFFFAOYSA-N 2 2 295.387 0.350 20 0 CCADLP COc1c(N)[nH+]cnc1N1CCC([N@@H+](C)CCCO)CC1 ZINC000583093631 329315123 /nfs/dbraw/zinc/31/51/23/329315123.db2.gz BPDWHGUBFMCXRO-UHFFFAOYSA-N 2 2 295.387 0.350 20 0 CCADLP COc1c(N)nc[nH+]c1N1CCC([N@H+](C)CCCO)CC1 ZINC000583093631 329315124 /nfs/dbraw/zinc/31/51/24/329315124.db2.gz BPDWHGUBFMCXRO-UHFFFAOYSA-N 2 2 295.387 0.350 20 0 CCADLP COc1c(N)nc[nH+]c1N1CCC([N@@H+](C)CCCO)CC1 ZINC000583093631 329315125 /nfs/dbraw/zinc/31/51/25/329315125.db2.gz BPDWHGUBFMCXRO-UHFFFAOYSA-N 2 2 295.387 0.350 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000575326294 335094222 /nfs/dbraw/zinc/09/42/22/335094222.db2.gz MQCHKUJMVLGPHD-SOUVJXGZSA-N 2 2 286.416 0.569 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000575326294 335094223 /nfs/dbraw/zinc/09/42/23/335094223.db2.gz MQCHKUJMVLGPHD-SOUVJXGZSA-N 2 2 286.416 0.569 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000575326294 335094224 /nfs/dbraw/zinc/09/42/24/335094224.db2.gz MQCHKUJMVLGPHD-SOUVJXGZSA-N 2 2 286.416 0.569 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000575326294 335094225 /nfs/dbraw/zinc/09/42/25/335094225.db2.gz MQCHKUJMVLGPHD-SOUVJXGZSA-N 2 2 286.416 0.569 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCS[C@@H]2COCC[C@@H]21 ZINC000575427621 335103102 /nfs/dbraw/zinc/10/31/02/335103102.db2.gz WWRKDVRUGFLQCZ-RWMBFGLXSA-N 2 2 274.430 0.505 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCS[C@@H]2COCC[C@@H]21 ZINC000575427621 335103103 /nfs/dbraw/zinc/10/31/03/335103103.db2.gz WWRKDVRUGFLQCZ-RWMBFGLXSA-N 2 2 274.430 0.505 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000575427621 335103105 /nfs/dbraw/zinc/10/31/05/335103105.db2.gz WWRKDVRUGFLQCZ-RWMBFGLXSA-N 2 2 274.430 0.505 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000575427621 335103107 /nfs/dbraw/zinc/10/31/07/335103107.db2.gz WWRKDVRUGFLQCZ-RWMBFGLXSA-N 2 2 274.430 0.505 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC000575873113 335126897 /nfs/dbraw/zinc/12/68/97/335126897.db2.gz HIOBSZZTEIQGMK-QWHCGFSZSA-N 2 2 280.372 0.671 20 0 CCADLP C[C@H]1C[NH+](CCCNC(=O)CC(F)(F)C[NH3+])C[C@H](C)O1 ZINC000575931287 335132707 /nfs/dbraw/zinc/13/27/07/335132707.db2.gz NHOSIBKGRSGZKW-QWRGUYRKSA-N 2 2 293.358 0.586 20 0 CCADLP C[N@@H+]1CCC[C@H]1C[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000553381194 334381307 /nfs/dbraw/zinc/38/13/07/334381307.db2.gz QOZSTTODOJMPMZ-CVZZAPKMSA-N 2 2 280.372 0.191 20 0 CCADLP C[N@H+]1CCC[C@H]1C[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000553381194 334381308 /nfs/dbraw/zinc/38/13/08/334381308.db2.gz QOZSTTODOJMPMZ-CVZZAPKMSA-N 2 2 280.372 0.191 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCCOC2CCCC2)[C@H](C[NH3+])C1 ZINC000576373380 335196122 /nfs/dbraw/zinc/19/61/22/335196122.db2.gz IDBBEGQFMOUJJO-CYBMUJFWSA-N 2 2 298.431 0.620 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCCOC2CCCC2)[C@H](C[NH3+])C1 ZINC000576373380 335196123 /nfs/dbraw/zinc/19/61/23/335196123.db2.gz IDBBEGQFMOUJJO-CYBMUJFWSA-N 2 2 298.431 0.620 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000576412773 335201249 /nfs/dbraw/zinc/20/12/49/335201249.db2.gz QINCCBPANKIGLO-JTQLQIEISA-N 2 2 261.329 0.518 20 0 CCADLP Cn1cc(C[NH2+][C@H]2CC[NH2+]C2)c(-c2cccnc2)n1 ZINC000576480578 335210243 /nfs/dbraw/zinc/21/02/43/335210243.db2.gz 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C[C@@H](CC(=O)N[C@H]1C[NH2+]CC[C@H]1C)n1cc[nH+]c1 ZINC000580655142 335313243 /nfs/dbraw/zinc/31/32/43/335313243.db2.gz LCSUBAUZKOLYOW-WOPDTQHZSA-N 2 2 250.346 0.948 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](COC)[C@H]1CCCO1 ZINC000577506292 335361551 /nfs/dbraw/zinc/36/15/51/335361551.db2.gz ZZBQCBLRQPVQEK-JHJVBQTASA-N 2 2 260.378 0.083 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](COC)[C@H]1CCCO1 ZINC000577506292 335361552 /nfs/dbraw/zinc/36/15/52/335361552.db2.gz ZZBQCBLRQPVQEK-JHJVBQTASA-N 2 2 260.378 0.083 20 0 CCADLP O[C@H](C[NH2+]CCCNc1cccc[nH+]1)CN1CCOCC1 ZINC000577842145 335409549 /nfs/dbraw/zinc/40/95/49/335409549.db2.gz KSHFQQVGQAUGTH-CQSZACIVSA-N 2 2 294.399 0.166 20 0 CCADLP Cc1c[nH+]ccc1CC[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000578127140 335508976 /nfs/dbraw/zinc/50/89/76/335508976.db2.gz DEKBXNNKXUZCEO-OAHLLOKOSA-N 2 2 279.384 0.215 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCOC[C@@H]1CCCO1 ZINC000578617087 335654229 /nfs/dbraw/zinc/65/42/29/335654229.db2.gz 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O=C(NCCc1[nH+]ccn1Cc1ccccc1)[C@H]1CC[NH2+]1 ZINC000444171489 534509641 /nfs/dbraw/zinc/50/96/41/534509641.db2.gz PTPQMKYIAGYKKO-CQSZACIVSA-N 2 2 284.363 0.952 20 0 CCADLP [NH3+]CCNC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000418294972 534631965 /nfs/dbraw/zinc/63/19/65/534631965.db2.gz IRESCPWUPNDUDR-UHFFFAOYSA-N 2 2 292.383 0.351 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000340706143 522778540 /nfs/dbraw/zinc/77/85/40/522778540.db2.gz GEGZDGHPTBWNMQ-HNNXBMFYSA-N 3 2 269.433 0.765 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000340706143 522778545 /nfs/dbraw/zinc/77/85/45/522778545.db2.gz GEGZDGHPTBWNMQ-HNNXBMFYSA-N 3 2 269.433 0.765 20 0 CCADLP O=C(NCc1ccccc1-n1cc[nH+]c1)[C@@H]1C[NH2+]CCO1 ZINC000423755041 534679413 /nfs/dbraw/zinc/67/94/13/534679413.db2.gz CZCYMAUKCAFSRG-AWEZNQCLSA-N 2 2 286.335 0.477 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000493100531 534802083 /nfs/dbraw/zinc/80/20/83/534802083.db2.gz 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ZINC000668069612 545162655 /nfs/dbraw/zinc/16/26/55/545162655.db2.gz VXWFTHVWMDXKOQ-ZFWWWQNUSA-N 2 2 289.383 0.670 20 0 CCADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)n1C ZINC000668069612 545162656 /nfs/dbraw/zinc/16/26/56/545162656.db2.gz VXWFTHVWMDXKOQ-ZFWWWQNUSA-N 2 2 289.383 0.670 20 0 CCADLP Cc1[nH+]cc(C[N@@H+](C)[C@H](CO)COC(C)C)n1C ZINC000668171983 545166172 /nfs/dbraw/zinc/16/61/72/545166172.db2.gz ANHSEJCHUGEONF-CYBMUJFWSA-N 2 2 255.362 0.946 20 0 CCADLP Cc1[nH+]cc(C[N@H+](C)[C@H](CO)COC(C)C)n1C ZINC000668171983 545166173 /nfs/dbraw/zinc/16/61/73/545166173.db2.gz ANHSEJCHUGEONF-CYBMUJFWSA-N 2 2 255.362 0.946 20 0 CCADLP c1[nH+]c2n(c1CN1CC[NH+]([C@H]3CCOC3)CC1)CCC2 ZINC000668535260 545180739 /nfs/dbraw/zinc/18/07/39/545180739.db2.gz DTBTWODVTLBWDZ-ZDUSSCGKSA-N 2 2 276.384 0.736 20 0 CCADLP C[NH+](C)CCCCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000668680815 545186702 /nfs/dbraw/zinc/18/67/02/545186702.db2.gz GITSTEXEYOBODF-LLVKDONJSA-N 2 2 264.373 0.973 20 0 CCADLP C[NH+](C)CCCCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000668680815 545186703 /nfs/dbraw/zinc/18/67/03/545186703.db2.gz GITSTEXEYOBODF-LLVKDONJSA-N 2 2 264.373 0.973 20 0 CCADLP CCN(CC)C(=O)CCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422954866 528010643 /nfs/dbraw/zinc/01/06/43/528010643.db2.gz IIFGQACNGPVFHY-HOCLYGCPSA-N 2 2 297.443 0.992 20 0 CCADLP CCO[C@H](CC[NH+](C)C)CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492895142 528031429 /nfs/dbraw/zinc/03/14/29/528031429.db2.gz HWCPDUQFIIEWGO-CFHLNLSMSA-N 2 2 280.372 0.896 20 0 CCADLP C[C@@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C1CC1 ZINC000669412548 545207733 /nfs/dbraw/zinc/20/77/33/545207733.db2.gz SZQSBOMFYIAILJ-CMPLNLGQSA-N 2 2 254.378 0.317 20 0 CCADLP C[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C1CC1 ZINC000669412548 545207734 /nfs/dbraw/zinc/20/77/34/545207734.db2.gz SZQSBOMFYIAILJ-CMPLNLGQSA-N 2 2 254.378 0.317 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)NC(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493526070 528167251 /nfs/dbraw/zinc/16/72/51/528167251.db2.gz VOBZNVUSVFPTSF-FJOGCWAESA-N 2 2 280.372 0.632 20 0 CCADLP CC[C@@H]1CCC[C@@H]1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000669528337 545212730 /nfs/dbraw/zinc/21/27/30/545212730.db2.gz XXVFCESZTCYKQZ-UPJWGTAASA-N 2 2 268.405 0.849 20 0 CCADLP CC[C@@H]1CCC[C@@H]1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000669528337 545212731 /nfs/dbraw/zinc/21/27/31/545212731.db2.gz XXVFCESZTCYKQZ-UPJWGTAASA-N 2 2 268.405 0.849 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669590710 545215781 /nfs/dbraw/zinc/21/57/81/545215781.db2.gz FUMWVIKHPHXBDH-YPMHNXCESA-N 2 2 290.367 0.984 20 0 CCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000669538303 545213770 /nfs/dbraw/zinc/21/37/70/545213770.db2.gz KDHHKZRDAZCSCD-BFHYXJOUSA-N 2 2 298.431 0.489 20 0 CCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000669538303 545213771 /nfs/dbraw/zinc/21/37/71/545213771.db2.gz KDHHKZRDAZCSCD-BFHYXJOUSA-N 2 2 298.431 0.489 20 0 CCADLP O=C(NCC[NH2+]C1CC1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000669542792 545213984 /nfs/dbraw/zinc/21/39/84/545213984.db2.gz HMXUQOZIQMMKAN-ZDUSSCGKSA-N 2 2 289.383 0.712 20 0 CCADLP [NH3+]C[C@@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1CC1 ZINC000669542852 545214092 /nfs/dbraw/zinc/21/40/92/545214092.db2.gz NUYLKNHVIHXMHP-QWHCGFSZSA-N 2 2 289.383 0.697 20 0 CCADLP COCC[C@H]1CCC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000669699158 545219770 /nfs/dbraw/zinc/21/97/70/545219770.db2.gz UCUPSZPNUZQDHV-ZIAGYGMSSA-N 2 2 283.416 0.555 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)NCc1c[nH+]ccc1OC ZINC000418221382 528413043 /nfs/dbraw/zinc/41/30/43/528413043.db2.gz VVBYAICWQGBZGC-SNVBAGLBSA-N 2 2 266.345 0.887 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC1=CC[NH2+]CC1 ZINC000423563975 528474329 /nfs/dbraw/zinc/47/43/29/528474329.db2.gz XOEMVRARIZBYCS-CQSZACIVSA-N 2 2 281.400 0.523 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC1=CC[NH2+]CC1 ZINC000423563975 528474334 /nfs/dbraw/zinc/47/43/34/528474334.db2.gz XOEMVRARIZBYCS-CQSZACIVSA-N 2 2 281.400 0.523 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423550409 528475568 /nfs/dbraw/zinc/47/55/68/528475568.db2.gz IJVCLXPJCLGDRY-GDBMZVCRSA-N 2 2 295.427 0.699 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423550409 528475571 /nfs/dbraw/zinc/47/55/71/528475571.db2.gz IJVCLXPJCLGDRY-GDBMZVCRSA-N 2 2 295.427 0.699 20 0 CCADLP CCC[NH2+]CCNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000418491400 528489160 /nfs/dbraw/zinc/48/91/60/528489160.db2.gz RYDWMTPZKVUNRS-UHFFFAOYSA-N 2 2 291.399 0.913 20 0 CCADLP CCCCNC(=O)CC[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424283652 528500027 /nfs/dbraw/zinc/50/00/27/528500027.db2.gz BOVSGSBFKYUPAI-UONOGXRCSA-N 2 2 293.415 0.453 20 0 CCADLP CCCCNC(=O)CC[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424283652 528500030 /nfs/dbraw/zinc/50/00/30/528500030.db2.gz BOVSGSBFKYUPAI-UONOGXRCSA-N 2 2 293.415 0.453 20 0 CCADLP CC(C)[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@@H](CO)C(C)C ZINC000451607986 528583359 /nfs/dbraw/zinc/58/33/59/528583359.db2.gz IYHHCSIXJPEADP-GOEBONIOSA-N 2 2 299.459 0.639 20 0 CCADLP CC(C)NC(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670985344 545241118 /nfs/dbraw/zinc/24/11/18/545241118.db2.gz QIPKXKAWGCSITI-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP CC(C)NC(=O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670985344 545241119 /nfs/dbraw/zinc/24/11/19/545241119.db2.gz QIPKXKAWGCSITI-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@@H](NC(=O)N1CC[NH+]2CCC1CC2)[C@@H]1C[N@H+](C)CCO1 ZINC000671209462 545244156 /nfs/dbraw/zinc/24/41/56/545244156.db2.gz MGPQCVBJIWJOKD-OCCSQVGLSA-N 2 2 296.415 0.195 20 0 CCADLP C[C@@H](NC(=O)N1CC[NH+]2CCC1CC2)[C@@H]1C[N@@H+](C)CCO1 ZINC000671209462 545244157 /nfs/dbraw/zinc/24/41/57/545244157.db2.gz MGPQCVBJIWJOKD-OCCSQVGLSA-N 2 2 296.415 0.195 20 0 CCADLP CCOC(=O)CCCC[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424295039 528696067 /nfs/dbraw/zinc/69/60/67/528696067.db2.gz PMSVRXLPBDOJLI-UONOGXRCSA-N 2 2 294.399 0.880 20 0 CCADLP CCOC(=O)CCCC[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424295039 528696070 /nfs/dbraw/zinc/69/60/70/528696070.db2.gz PMSVRXLPBDOJLI-UONOGXRCSA-N 2 2 294.399 0.880 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000374385077 528810482 /nfs/dbraw/zinc/81/04/82/528810482.db2.gz JDYDPZQWRWYJFL-AWEZNQCLSA-N 2 2 276.384 0.895 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000374385077 528810486 /nfs/dbraw/zinc/81/04/86/528810486.db2.gz JDYDPZQWRWYJFL-AWEZNQCLSA-N 2 2 276.384 0.895 20 0 CCADLP CCC[C@@H]([NH3+])C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC000423864788 528963746 /nfs/dbraw/zinc/96/37/46/528963746.db2.gz ZKRVIFDZDRYBPD-NWDGAFQWSA-N 2 2 285.388 0.210 20 0 CCADLP CCC[C@@H]([NH3+])C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000423864788 528963748 /nfs/dbraw/zinc/96/37/48/528963748.db2.gz ZKRVIFDZDRYBPD-NWDGAFQWSA-N 2 2 285.388 0.210 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000433169815 528991706 /nfs/dbraw/zinc/99/17/06/528991706.db2.gz SWAWWGUNWORADL-RYUDHWBXSA-N 2 2 257.378 0.054 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000433169815 528991707 /nfs/dbraw/zinc/99/17/07/528991707.db2.gz SWAWWGUNWORADL-RYUDHWBXSA-N 2 2 257.378 0.054 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000672963721 545276163 /nfs/dbraw/zinc/27/61/63/545276163.db2.gz RBVCCKIKHZBZKJ-CYBMUJFWSA-N 2 2 282.413 0.516 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000418417968 529057796 /nfs/dbraw/zinc/05/77/96/529057796.db2.gz XBLPZVZPYLJOOD-MGPQQGTHSA-N 2 2 298.431 0.474 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@](C)(COC)C2)CC1 ZINC000451184465 529132569 /nfs/dbraw/zinc/13/25/69/529132569.db2.gz AXXZSTJFQVWCJG-HOCLYGCPSA-N 2 2 297.443 0.897 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@](C)(COC)C2)CC1 ZINC000451184465 529132570 /nfs/dbraw/zinc/13/25/70/529132570.db2.gz AXXZSTJFQVWCJG-HOCLYGCPSA-N 2 2 297.443 0.897 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000673647422 545289875 /nfs/dbraw/zinc/28/98/75/545289875.db2.gz FBRXPRMFYOHFFY-OAHLLOKOSA-N 2 2 289.379 0.449 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000673647422 545289876 /nfs/dbraw/zinc/28/98/76/545289876.db2.gz FBRXPRMFYOHFFY-OAHLLOKOSA-N 2 2 289.379 0.449 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)NC[C@H]([NH3+])C2CC2)CCO1 ZINC000418498877 529292985 /nfs/dbraw/zinc/29/29/85/529292985.db2.gz MUHQJROTFSZDPC-STQMWFEESA-N 2 2 284.404 0.134 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)NC[C@H]([NH3+])C2CC2)CCO1 ZINC000418498877 529292986 /nfs/dbraw/zinc/29/29/86/529292986.db2.gz MUHQJROTFSZDPC-STQMWFEESA-N 2 2 284.404 0.134 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CCO1 ZINC000427734283 529293696 /nfs/dbraw/zinc/29/36/96/529293696.db2.gz LNSFSKJVCQVTIV-UONOGXRCSA-N 2 2 285.432 0.800 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CCO1 ZINC000427734283 529293699 /nfs/dbraw/zinc/29/36/99/529293699.db2.gz LNSFSKJVCQVTIV-UONOGXRCSA-N 2 2 285.432 0.800 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CNc3ccnn3C2)C1 ZINC000674885145 545317214 /nfs/dbraw/zinc/31/72/14/545317214.db2.gz YZAYIYOWDBSZPV-RWMBFGLXSA-N 2 2 263.389 0.855 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CNc3ccnn3C2)C1 ZINC000674885145 545317215 /nfs/dbraw/zinc/31/72/15/545317215.db2.gz YZAYIYOWDBSZPV-RWMBFGLXSA-N 2 2 263.389 0.855 20 0 CCADLP Cc1ncc([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)c(C)n1 ZINC000675781878 545331213 /nfs/dbraw/zinc/33/12/13/545331213.db2.gz FPFJYOGYCKFBRM-NSHDSACASA-N 2 2 291.399 0.518 20 0 CCADLP C[C@H](C[NH2+]C1CCN(c2cnccn2)CC1)[NH+](C)C ZINC000675820064 545331930 /nfs/dbraw/zinc/33/19/30/545331930.db2.gz UGKQESQCBMDYEM-GFCCVEGCSA-N 2 2 263.389 0.985 20 0 CCADLP CC[NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000514671828 535475843 /nfs/dbraw/zinc/47/58/43/535475843.db2.gz CDGWGYMCQYVTPV-UHFFFAOYSA-N 2 2 260.301 0.002 20 0 CCADLP CCN(C)C(=O)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371301017 535719753 /nfs/dbraw/zinc/71/97/53/535719753.db2.gz SBQVIWURRCZDGO-MGPQQGTHSA-N 2 2 283.416 0.648 20 0 CCADLP CCN(C)C(=O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371301017 535719760 /nfs/dbraw/zinc/71/97/60/535719760.db2.gz SBQVIWURRCZDGO-MGPQQGTHSA-N 2 2 283.416 0.648 20 0 CCADLP NS(=O)(=O)CCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000677736997 545372040 /nfs/dbraw/zinc/37/20/40/545372040.db2.gz HZOLTMZANWNWBQ-UHFFFAOYSA-N 2 2 298.412 0.637 20 0 CCADLP C[N@@H+]1CCC[C@H](N2CC[NH+](CCn3cc[nH+]c3)CC2)C1 ZINC000677986614 545380252 /nfs/dbraw/zinc/38/02/52/545380252.db2.gz SJHJSVAUNMMAQL-HNNXBMFYSA-N 3 2 277.416 0.595 20 0 CCADLP C[N@H+]1CCC[C@H](N2CC[NH+](CCn3cc[nH+]c3)CC2)C1 ZINC000677986614 545380253 /nfs/dbraw/zinc/38/02/53/545380253.db2.gz SJHJSVAUNMMAQL-HNNXBMFYSA-N 3 2 277.416 0.595 20 0 CCADLP COCC[C@@H](C)[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678079791 545383990 /nfs/dbraw/zinc/38/39/90/545383990.db2.gz DAIDCKFNCRTNQE-OCCSQVGLSA-N 2 2 283.416 0.826 20 0 CCADLP COCC[C@@H](C)[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678079791 545383991 /nfs/dbraw/zinc/38/39/91/545383991.db2.gz DAIDCKFNCRTNQE-OCCSQVGLSA-N 2 2 283.416 0.826 20 0 CCADLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3cnc(N)s3)CC2)C1 ZINC000678258637 545387696 /nfs/dbraw/zinc/38/76/96/545387696.db2.gz HKTUTNRIMNCPBO-LBPRGKRZSA-N 2 2 295.456 0.937 20 0 CCADLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3cnc(N)s3)CC2)C1 ZINC000678258637 545387697 /nfs/dbraw/zinc/38/76/97/545387697.db2.gz HKTUTNRIMNCPBO-LBPRGKRZSA-N 2 2 295.456 0.937 20 0 CCADLP CC[C@H](C)NC(=O)C[NH+]1CCN(CC(C)(C)[NH3+])CC1 ZINC000346822464 536157424 /nfs/dbraw/zinc/15/74/24/536157424.db2.gz MKJUWHYULKIFAU-LBPRGKRZSA-N 2 2 270.421 0.256 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+](CCO)CC(C)(C)C)CC1 ZINC000678517376 545393628 /nfs/dbraw/zinc/39/36/28/545393628.db2.gz WHHJBYPFRULGQY-UHFFFAOYSA-N 2 2 271.405 0.101 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000082315851 536369693 /nfs/dbraw/zinc/36/96/93/536369693.db2.gz DGLYDCWXKOHNJZ-CYBMUJFWSA-N 2 2 274.368 0.824 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000082315851 536369697 /nfs/dbraw/zinc/36/96/97/536369697.db2.gz DGLYDCWXKOHNJZ-CYBMUJFWSA-N 2 2 274.368 0.824 20 0 CCADLP Cc1nnc(CN2CC[NH+](CCCn3cc[nH+]c3)CC2)[nH]1 ZINC000678890176 545399532 /nfs/dbraw/zinc/39/95/32/545399532.db2.gz XSXVNLVYBQMKCM-UHFFFAOYSA-N 2 2 289.387 0.518 20 0 CCADLP C[NH2+][C@H](C)CNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000261815792 536401845 /nfs/dbraw/zinc/40/18/45/536401845.db2.gz TYKGQFYZTZRIPD-SNVBAGLBSA-N 2 2 259.313 0.605 20 0 CCADLP CN1CCC[C@@H]([NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC000679318714 545406998 /nfs/dbraw/zinc/40/69/98/545406998.db2.gz UWHSCVXLTZLGKB-HUUCEWRRSA-N 2 2 294.443 0.319 20 0 CCADLP CN1CCC[C@@H]([NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC000679318714 545406999 /nfs/dbraw/zinc/40/69/99/545406999.db2.gz UWHSCVXLTZLGKB-HUUCEWRRSA-N 2 2 294.443 0.319 20 0 CCADLP COC[C@@H]([NH3+])C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000262356189 536657158 /nfs/dbraw/zinc/65/71/58/536657158.db2.gz VAWQODOPHZJGCU-VHSXEESVSA-N 2 2 252.318 0.089 20 0 CCADLP COC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000262358695 536663402 /nfs/dbraw/zinc/66/34/02/536663402.db2.gz VHCBQZBXARPYGU-CYBMUJFWSA-N 2 2 292.383 0.662 20 0 CCADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc1 ZINC000261717181 536668865 /nfs/dbraw/zinc/66/88/65/536668865.db2.gz JWSWMGSNAIDTDQ-DGCLKSJQSA-N 2 2 275.352 0.910 20 0 CCADLP COC(=O)c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc1 ZINC000261717181 536668872 /nfs/dbraw/zinc/66/88/72/536668872.db2.gz JWSWMGSNAIDTDQ-DGCLKSJQSA-N 2 2 275.352 0.910 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)C[N@@H+](C)[C@@H]1CCSC1)CC2 ZINC000679907397 545418485 /nfs/dbraw/zinc/41/84/85/545418485.db2.gz NVHMYNPPGZWUPL-GFCCVEGCSA-N 2 2 294.424 0.971 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)C[N@H+](C)[C@@H]1CCSC1)CC2 ZINC000679907397 545418486 /nfs/dbraw/zinc/41/84/86/545418486.db2.gz NVHMYNPPGZWUPL-GFCCVEGCSA-N 2 2 294.424 0.971 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)Cc1[nH+]ccn1C ZINC000680006786 545421725 /nfs/dbraw/zinc/42/17/25/545421725.db2.gz VONWVMXDPJZMNZ-LBPRGKRZSA-N 2 2 280.372 0.347 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)Nc2cc(N(C)C)cc[nH+]2)C1 ZINC000680258008 545424538 /nfs/dbraw/zinc/42/45/38/545424538.db2.gz YTJGMJPZRBBZTG-LBPRGKRZSA-N 2 2 278.356 0.807 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)Nc2cc(N(C)C)cc[nH+]2)C1 ZINC000680258008 545424539 /nfs/dbraw/zinc/42/45/39/545424539.db2.gz YTJGMJPZRBBZTG-LBPRGKRZSA-N 2 2 278.356 0.807 20 0 CCADLP COCC[N@H+](CC(=O)N(C)C)C[C@@]1(C)CC[NH2+]C1 ZINC000262004019 536811686 /nfs/dbraw/zinc/81/16/86/536811686.db2.gz LPINZRWMWPAJAF-ZDUSSCGKSA-N 2 2 257.378 0.023 20 0 CCADLP COCC[N@@H+](CC(=O)N(C)C)C[C@@]1(C)CC[NH2+]C1 ZINC000262004019 536811689 /nfs/dbraw/zinc/81/16/89/536811689.db2.gz LPINZRWMWPAJAF-ZDUSSCGKSA-N 2 2 257.378 0.023 20 0 CCADLP COCC1(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)CC[NH2+]CC1 ZINC000262399986 536814410 /nfs/dbraw/zinc/81/44/10/536814410.db2.gz QWZPGQGABFPOAF-CYBMUJFWSA-N 2 2 294.399 0.652 20 0 CCADLP C[N@@H+]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000680476597 545429579 /nfs/dbraw/zinc/42/95/79/545429579.db2.gz DJCUCUHGIAAFKP-LBPRGKRZSA-N 2 2 276.384 0.972 20 0 CCADLP C[N@H+]1CCC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC000680476597 545429580 /nfs/dbraw/zinc/42/95/80/545429580.db2.gz DJCUCUHGIAAFKP-LBPRGKRZSA-N 2 2 276.384 0.972 20 0 CCADLP Cc1nc(N2CC[NH+](Cc3ccn(C)c(=O)c3)CC2)cc[nH+]1 ZINC000680582338 545432679 /nfs/dbraw/zinc/43/26/79/545432679.db2.gz AGBLWBYXCCQFHF-UHFFFAOYSA-N 2 2 299.378 0.806 20 0 CCADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000681205794 545445419 /nfs/dbraw/zinc/44/54/19/545445419.db2.gz MXIHKOZXWOLUFM-LSDHHAIUSA-N 2 2 296.459 0.613 20 0 CCADLP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC000681205794 545445420 /nfs/dbraw/zinc/44/54/20/545445420.db2.gz MXIHKOZXWOLUFM-LSDHHAIUSA-N 2 2 296.459 0.613 20 0 CCADLP Cc1nc(N2CC[N@H+](CCO)C(C)(C)C2)nc(N(C)C)[nH+]1 ZINC000681992465 545468869 /nfs/dbraw/zinc/46/88/69/545468869.db2.gz GBRAXCUEUOXRJW-UHFFFAOYSA-N 2 2 294.403 0.139 20 0 CCADLP Cc1nc(N2CC[N@@H+](CCO)C(C)(C)C2)nc(N(C)C)[nH+]1 ZINC000681992465 545468870 /nfs/dbraw/zinc/46/88/70/545468870.db2.gz GBRAXCUEUOXRJW-UHFFFAOYSA-N 2 2 294.403 0.139 20 0 CCADLP CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000682502107 545480987 /nfs/dbraw/zinc/48/09/87/545480987.db2.gz HOWSCCCARIIGKX-CHWSQXEVSA-N 2 2 292.383 0.282 20 0 CCADLP CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000682502107 545480988 /nfs/dbraw/zinc/48/09/88/545480988.db2.gz HOWSCCCARIIGKX-CHWSQXEVSA-N 2 2 292.383 0.282 20 0 CCADLP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000682506807 545481173 /nfs/dbraw/zinc/48/11/73/545481173.db2.gz GSCYYJMTGUKRMU-CHWSQXEVSA-N 2 2 276.384 0.904 20 0 CCADLP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000682506807 545481174 /nfs/dbraw/zinc/48/11/74/545481174.db2.gz GSCYYJMTGUKRMU-CHWSQXEVSA-N 2 2 276.384 0.904 20 0 CCADLP C[C@H]1COCCC[NH+]1CC(O)C[N@H+]1CCCOC[C@@H]1C ZINC000683667826 545556346 /nfs/dbraw/zinc/55/63/46/545556346.db2.gz JKWFFFUBBFWGIA-KBPBESRZSA-N 2 2 286.416 0.569 20 0 CCADLP C[C@H]1COCCC[NH+]1CC(O)C[N@@H+]1CCCOC[C@@H]1C ZINC000683667826 545556349 /nfs/dbraw/zinc/55/63/49/545556349.db2.gz JKWFFFUBBFWGIA-KBPBESRZSA-N 2 2 286.416 0.569 20 0 CCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@H]1CC1(C)C ZINC000397684546 581179640 /nfs/dbraw/zinc/17/96/40/581179640.db2.gz MXEJGEKWXJWLKQ-NWDGAFQWSA-N 2 2 253.390 0.785 20 0 CCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000396467456 581176087 /nfs/dbraw/zinc/17/60/87/581176087.db2.gz UWZRVWZFPUWGIB-CYBMUJFWSA-N 3 2 282.432 0.080 20 0 CCADLP CC[C@H](CO)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000779775273 581203492 /nfs/dbraw/zinc/20/34/92/581203492.db2.gz CIKRRJYVIWNRDD-UKRRQHHQSA-N 2 2 297.443 0.632 20 0 CCADLP CC[C@H](CO)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000779775273 581203494 /nfs/dbraw/zinc/20/34/94/581203494.db2.gz CIKRRJYVIWNRDD-UKRRQHHQSA-N 2 2 297.443 0.632 20 0 CCADLP COC(=O)[C@@H](C)C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000726843464 581254840 /nfs/dbraw/zinc/25/48/40/581254840.db2.gz FJZCTEMNCYLCOC-JSGCOSHPSA-N 2 2 284.400 0.717 20 0 CCADLP COC(=O)[C@@H](C)C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000726843464 581254842 /nfs/dbraw/zinc/25/48/42/581254842.db2.gz FJZCTEMNCYLCOC-JSGCOSHPSA-N 2 2 284.400 0.717 20 0 CCADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@@]1(CO)CCOC1 ZINC000782175779 581291314 /nfs/dbraw/zinc/29/13/14/581291314.db2.gz HXYPLQJPPPKXGE-OAHLLOKOSA-N 2 2 288.351 0.851 20 0 CCADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@@]1(CO)CCOC1 ZINC000782175779 581291315 /nfs/dbraw/zinc/29/13/15/581291315.db2.gz HXYPLQJPPPKXGE-OAHLLOKOSA-N 2 2 288.351 0.851 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCOCC2(CC2)C1 ZINC000782538807 581306939 /nfs/dbraw/zinc/30/69/39/581306939.db2.gz IIEFDHPFHNGNHP-ZDUSSCGKSA-N 2 2 254.374 0.556 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCOCC2(CC2)C1 ZINC000782538807 581306942 /nfs/dbraw/zinc/30/69/42/581306942.db2.gz IIEFDHPFHNGNHP-ZDUSSCGKSA-N 2 2 254.374 0.556 20 0 CCADLP C[C@H]1CC(=O)N(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000793765879 581311810 /nfs/dbraw/zinc/31/18/10/581311810.db2.gz KJCJBKZRWFYOFN-GXTWGEPZSA-N 2 2 251.374 0.840 20 0 CCADLP C[C@H]1CC(=O)N(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000793765879 581311811 /nfs/dbraw/zinc/31/18/11/581311811.db2.gz KJCJBKZRWFYOFN-GXTWGEPZSA-N 2 2 251.374 0.840 20 0 CCADLP C[C@H]1CC(=O)N(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)C1 ZINC000793765879 581311812 /nfs/dbraw/zinc/31/18/12/581311812.db2.gz KJCJBKZRWFYOFN-GXTWGEPZSA-N 2 2 251.374 0.840 20 0 CCADLP C[C@H]1CC(=O)N(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)C1 ZINC000793765879 581311813 /nfs/dbraw/zinc/31/18/13/581311813.db2.gz KJCJBKZRWFYOFN-GXTWGEPZSA-N 2 2 251.374 0.840 20 0 CCADLP Cn1nccc1C1=CC[N@H+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000796144736 581432574 /nfs/dbraw/zinc/43/25/74/581432574.db2.gz UORHEKXXAQTXCS-OAHLLOKOSA-N 2 2 290.411 0.966 20 0 CCADLP Cn1nccc1C1=CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000796144736 581432576 /nfs/dbraw/zinc/43/25/76/581432576.db2.gz UORHEKXXAQTXCS-OAHLLOKOSA-N 2 2 290.411 0.966 20 0 CCADLP Cc1cc(NC[C@H](O)C[NH+](C)C)nc(C2CC2)[nH+]1 ZINC000734835115 581590656 /nfs/dbraw/zinc/59/06/56/581590656.db2.gz OZONMPCOHHFTKA-NSHDSACASA-N 2 2 250.346 0.997 20 0 CCADLP CN(C)C(=O)CC[NH+]1CCN(C2=[NH+]CC(C)(C)S2)CC1 ZINC000754648779 581600651 /nfs/dbraw/zinc/60/06/51/581600651.db2.gz HCPARRUKUHNNPY-UHFFFAOYSA-N 2 2 298.456 0.964 20 0 CCADLP C[C@H](NC(=S)NCCC[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000769797636 581707161 /nfs/dbraw/zinc/70/71/61/581707161.db2.gz YGZFFQJFSCYYSW-NWDGAFQWSA-N 2 2 288.461 0.121 20 0 CCADLP C[C@H](NC(=S)NCCC[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000769797636 581707162 /nfs/dbraw/zinc/70/71/62/581707162.db2.gz YGZFFQJFSCYYSW-NWDGAFQWSA-N 2 2 288.461 0.121 20 0 CCADLP CN1CC[N@H+](C)[C@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC000732150062 581805612 /nfs/dbraw/zinc/80/56/12/581805612.db2.gz VSMIVPDCBDEOCU-OAHLLOKOSA-N 2 2 296.459 0.615 20 0 CCADLP CN1CC[N@@H+](C)[C@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC000732150062 581805616 /nfs/dbraw/zinc/80/56/16/581805616.db2.gz VSMIVPDCBDEOCU-OAHLLOKOSA-N 2 2 296.459 0.615 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H]1CCCCNC1=O ZINC000772746631 581888384 /nfs/dbraw/zinc/88/83/84/581888384.db2.gz CCQSRRHYTLFMCX-CHWSQXEVSA-N 2 2 269.389 0.044 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)[C@@H]1CCCCNC1=O ZINC000772746631 581888387 /nfs/dbraw/zinc/88/83/87/581888387.db2.gz CCQSRRHYTLFMCX-CHWSQXEVSA-N 2 2 269.389 0.044 20 0 CCADLP OC[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)C1CC1 ZINC000772988500 581903979 /nfs/dbraw/zinc/90/39/79/581903979.db2.gz QNPLEHCMUUEGRA-INIZCTEOSA-N 2 2 297.443 0.144 20 0 CCADLP OC[C@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)C1CC1 ZINC000772988500 581903983 /nfs/dbraw/zinc/90/39/83/581903983.db2.gz QNPLEHCMUUEGRA-INIZCTEOSA-N 2 2 297.443 0.144 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C2CCN(C=O)CC2)C[N@@H+]1C1CC1 ZINC000774220708 581965853 /nfs/dbraw/zinc/96/58/53/581965853.db2.gz ZNSGRGZEKBALHI-YPMHNXCESA-N 2 2 251.374 0.822 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C2CCN(C=O)CC2)C[N@H+]1C1CC1 ZINC000774220708 581965856 /nfs/dbraw/zinc/96/58/56/581965856.db2.gz ZNSGRGZEKBALHI-YPMHNXCESA-N 2 2 251.374 0.822 20 0 CCADLP C[C@H]1C[C@@H]([NH+](C)CCN2CCOC2=O)CC[N@@H+]1C ZINC000749115020 581997392 /nfs/dbraw/zinc/99/73/92/581997392.db2.gz GVXKOFXMHJWAQB-RYUDHWBXSA-N 2 2 255.362 0.853 20 0 CCADLP C[C@H]1C[C@@H]([NH+](C)CCN2CCOC2=O)CC[N@H+]1C ZINC000749115020 581997394 /nfs/dbraw/zinc/99/73/94/581997394.db2.gz GVXKOFXMHJWAQB-RYUDHWBXSA-N 2 2 255.362 0.853 20 0 CCADLP C[C@H]1C[C@@H]([N@H+](C)CCN2CCOC2=O)CC[NH+]1C ZINC000749115020 581997396 /nfs/dbraw/zinc/99/73/96/581997396.db2.gz GVXKOFXMHJWAQB-RYUDHWBXSA-N 2 2 255.362 0.853 20 0 CCADLP C[C@H]1C[C@@H]([N@@H+](C)CCN2CCOC2=O)CC[NH+]1C ZINC000749115020 581997398 /nfs/dbraw/zinc/99/73/98/581997398.db2.gz GVXKOFXMHJWAQB-RYUDHWBXSA-N 2 2 255.362 0.853 20 0 CCADLP C[C@H](CC(N)=O)[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000749126611 581997418 /nfs/dbraw/zinc/99/74/18/581997418.db2.gz QPXFLORGLWCXRR-SNVBAGLBSA-N 2 2 259.313 0.621 20 0 CCADLP CNC(=O)C1([NH2+]C[C@H](O)C[NH+]2CCCC2)CCCC1 ZINC000749321645 582003466 /nfs/dbraw/zinc/00/34/66/582003466.db2.gz MFYKGIOWKCJDDK-LBPRGKRZSA-N 2 2 269.389 0.092 20 0 CCADLP CC(C)OC[C@H](CO)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000763877173 582018140 /nfs/dbraw/zinc/01/81/40/582018140.db2.gz FVNTUHAKMSOWMH-KBPBESRZSA-N 2 2 274.405 0.161 20 0 CCADLP CC(C)OC[C@H](CO)[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000763877173 582018141 /nfs/dbraw/zinc/01/81/41/582018141.db2.gz FVNTUHAKMSOWMH-KBPBESRZSA-N 2 2 274.405 0.161 20 0 CCADLP COC(=O)c1ncn(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000738158158 582025899 /nfs/dbraw/zinc/02/58/99/582025899.db2.gz KZHZBSJZAMKICQ-LLVKDONJSA-N 2 2 290.327 0.556 20 0 CCADLP COC(=O)c1ncn(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000738158158 582025901 /nfs/dbraw/zinc/02/59/01/582025901.db2.gz KZHZBSJZAMKICQ-LLVKDONJSA-N 2 2 290.327 0.556 20 0 CCADLP COc1ccc(C[N@H+](C)C[C@@H](O)C[NH+]2CCCC2)cn1 ZINC000764372321 582043749 /nfs/dbraw/zinc/04/37/49/582043749.db2.gz IUNMCHUTCXWEIF-CQSZACIVSA-N 2 2 279.384 0.979 20 0 CCADLP COc1ccc(C[N@@H+](C)C[C@@H](O)C[NH+]2CCCC2)cn1 ZINC000764372321 582043750 /nfs/dbraw/zinc/04/37/50/582043750.db2.gz IUNMCHUTCXWEIF-CQSZACIVSA-N 2 2 279.384 0.979 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)NCC2=CC[NH+](C)CC2)CCO1 ZINC000776042759 582050065 /nfs/dbraw/zinc/05/00/65/582050065.db2.gz UVKPMDAIXODSGN-CYBMUJFWSA-N 2 2 296.415 0.268 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCC2=CC[NH+](C)CC2)CCO1 ZINC000776042759 582050070 /nfs/dbraw/zinc/05/00/70/582050070.db2.gz UVKPMDAIXODSGN-CYBMUJFWSA-N 2 2 296.415 0.268 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)NCC2=CC[N@H+](C)CC2)CCO1 ZINC000776042759 582050073 /nfs/dbraw/zinc/05/00/73/582050073.db2.gz UVKPMDAIXODSGN-CYBMUJFWSA-N 2 2 296.415 0.268 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)NCC2=CC[N@@H+](C)CC2)CCO1 ZINC000776042759 582050077 /nfs/dbraw/zinc/05/00/77/582050077.db2.gz UVKPMDAIXODSGN-CYBMUJFWSA-N 2 2 296.415 0.268 20 0 CCADLP CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1CC1 ZINC000923303441 617175891 /nfs/dbraw/zinc/17/58/91/617175891.db2.gz MQWQOMZFTHDNQL-ZDUSSCGKSA-N 2 2 289.445 0.532 20 0 CCADLP CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CC1 ZINC000923303441 617175893 /nfs/dbraw/zinc/17/58/93/617175893.db2.gz MQWQOMZFTHDNQL-ZDUSSCGKSA-N 2 2 289.445 0.532 20 0 CCADLP C[C@@H](O)C[NH2+]C1CCC(N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000964054271 649916493 /nfs/dbraw/zinc/91/64/93/649916493.db2.gz LFZMEWKFLBOSPV-PNESKVBLSA-N 2 2 294.399 0.692 20 0 CCADLP CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925671160 617179100 /nfs/dbraw/zinc/17/91/00/617179100.db2.gz BKETXCGZUUXVNK-BNESJGNISA-N 2 2 298.452 0.928 20 0 CCADLP CSC1(CNC(=O)Cc2c[nH]c[nH+]2)CC[NH+](C)CC1 ZINC000908285681 617204533 /nfs/dbraw/zinc/20/45/33/617204533.db2.gz KRTQOCZYGXQTOT-UHFFFAOYSA-N 2 2 282.413 0.896 20 0 CCADLP CC(C)(C)CC[C@H]([NH3+])C[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000904376623 613915389 /nfs/dbraw/zinc/91/53/89/613915389.db2.gz VIQDCPRAEFFQHD-RYUDHWBXSA-N 2 2 291.461 0.764 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000851967318 614263939 /nfs/dbraw/zinc/26/39/39/614263939.db2.gz IQLGTBONALUNHA-LBPRGKRZSA-N 2 2 285.388 0.262 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000851967318 614263940 /nfs/dbraw/zinc/26/39/40/614263940.db2.gz IQLGTBONALUNHA-LBPRGKRZSA-N 2 2 285.388 0.262 20 0 CCADLP COc1cccc([C@@H](O)C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000843067957 617308478 /nfs/dbraw/zinc/30/84/78/617308478.db2.gz HXLPLXOACHDDDO-ZBFHGGJFSA-N 2 2 294.395 0.773 20 0 CCADLP COc1cccc([C@@H](O)C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000843067957 617308479 /nfs/dbraw/zinc/30/84/79/617308479.db2.gz HXLPLXOACHDDDO-ZBFHGGJFSA-N 2 2 294.395 0.773 20 0 CCADLP C([C@H]1CC2(C[NH2+]C2)CO1)[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000923365649 613228153 /nfs/dbraw/zinc/22/81/53/613228153.db2.gz TWCCDAJRVRPBPC-QLFBSQMISA-N 3 2 279.428 0.971 20 0 CCADLP C([C@H]1CC2(C[NH2+]C2)CO1)[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000923365649 613228155 /nfs/dbraw/zinc/22/81/55/613228155.db2.gz TWCCDAJRVRPBPC-QLFBSQMISA-N 3 2 279.428 0.971 20 0 CCADLP C/C(=C/C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)C[NH+]1CCOCC1 ZINC000909146144 613235056 /nfs/dbraw/zinc/23/50/56/613235056.db2.gz OMGVWJAKXMXCJA-XLKMGQDLSA-N 2 2 293.411 0.283 20 0 CCADLP C/C(=C\C(=O)N1CCC2(C[NH+](C)C2)C1)C[NH+]1CCOCC1 ZINC000907764455 613249520 /nfs/dbraw/zinc/24/95/20/613249520.db2.gz TXDUMHYYWSVQPX-NTEUORMPSA-N 2 2 293.411 0.429 20 0 CCADLP C/C(=C\C(=O)NCC[C@@H](C)[NH+](C)C)C[NH+]1CCOCC1 ZINC000912387844 613256347 /nfs/dbraw/zinc/25/63/47/613256347.db2.gz CFJZUCILNROZKS-YPDDLIOESA-N 2 2 283.416 0.721 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H]2CCC3(COC3)O2)CC1 ZINC000930613007 613939072 /nfs/dbraw/zinc/93/90/72/613939072.db2.gz CCNHGATUQPHXSU-AWEZNQCLSA-N 2 2 298.427 0.759 20 0 CCADLP CC(C)[NH2+]C1CC[NH+](C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC000929960559 613944022 /nfs/dbraw/zinc/94/40/22/613944022.db2.gz HCWIYBBTAZHIJW-HUUCEWRRSA-N 2 2 286.416 0.351 20 0 CCADLP CC(C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC000939210169 613975476 /nfs/dbraw/zinc/97/54/76/613975476.db2.gz LRTNBERMTGMBPQ-ZYHUDNBSSA-N 2 2 250.346 0.797 20 0 CCADLP CC(C)OC[C@@H](O)C[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000871971146 614029426 /nfs/dbraw/zinc/02/94/26/614029426.db2.gz HRHWDJGKVDKGRJ-KFWWJZLASA-N 2 2 288.432 0.861 20 0 CCADLP CC(C)[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cnn(C)c1 ZINC000886590385 614249706 /nfs/dbraw/zinc/24/97/06/614249706.db2.gz UKNSVCUPAIPXBO-KBPBESRZSA-N 2 2 266.389 0.773 20 0 CCADLP CC(C)[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cnn(C)c1 ZINC000886590385 614249708 /nfs/dbraw/zinc/24/97/08/614249708.db2.gz UKNSVCUPAIPXBO-KBPBESRZSA-N 2 2 266.389 0.773 20 0 CCADLP CC(C)[C@H]1COCC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000926747957 614274993 /nfs/dbraw/zinc/27/49/93/614274993.db2.gz CVIGISCCOTVETK-ILXRZTDVSA-N 2 2 297.443 0.977 20 0 CCADLP CC(C)[C@H]1COCC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000926747957 614274995 /nfs/dbraw/zinc/27/49/95/614274995.db2.gz CVIGISCCOTVETK-ILXRZTDVSA-N 2 2 297.443 0.977 20 0 CCADLP CC(C)(C(N)=O)[NH+]1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903740737 614313267 /nfs/dbraw/zinc/31/32/67/614313267.db2.gz KYMOTUCRQZTBJB-ZDUSSCGKSA-N 2 2 282.432 0.258 20 0 CCADLP CCC(CC)[NH2+]CCNC(=O)NCc1c[nH+]cn1C ZINC000894912879 614575140 /nfs/dbraw/zinc/57/51/40/614575140.db2.gz JZGSGCRLOVYKDR-UHFFFAOYSA-N 2 2 267.377 0.998 20 0 CCADLP CCC1(CC)CNC(=O)[C@@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000933287043 614683769 /nfs/dbraw/zinc/68/37/69/614683769.db2.gz SOPZVPNKOJFHCJ-STQMWFEESA-N 2 2 283.416 0.336 20 0 CCADLP CCC1(CC)CNC(=O)[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000933287043 614683771 /nfs/dbraw/zinc/68/37/71/614683771.db2.gz SOPZVPNKOJFHCJ-STQMWFEESA-N 2 2 283.416 0.336 20 0 CCADLP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1C[NH+](CC(C)C)C1 ZINC000950612477 614684088 /nfs/dbraw/zinc/68/40/88/614684088.db2.gz TTZLISPNUQSNBG-UKRRQHHQSA-N 2 2 297.443 0.894 20 0 CCADLP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1C[NH+](CC(C)C)C1 ZINC000950612477 614684090 /nfs/dbraw/zinc/68/40/90/614684090.db2.gz TTZLISPNUQSNBG-UKRRQHHQSA-N 2 2 297.443 0.894 20 0 CCADLP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1C)C1C[NH+](CCOC)C1 ZINC000951749845 614685007 /nfs/dbraw/zinc/68/50/07/614685007.db2.gz IWBVYGMIKAENPL-JSGCOSHPSA-N 2 2 283.416 0.363 20 0 CCADLP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)C1C[NH+](CCOC)C1 ZINC000951749845 614685008 /nfs/dbraw/zinc/68/50/08/614685008.db2.gz IWBVYGMIKAENPL-JSGCOSHPSA-N 2 2 283.416 0.363 20 0 CCADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@H](O)[C@H](C)O)CC1 ZINC000931329881 614705751 /nfs/dbraw/zinc/70/57/51/614705751.db2.gz YZQUPUDTPLRKHS-KBPBESRZSA-N 2 2 286.416 0.305 20 0 CCADLP CC1(C)COCCN1CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925478600 614719600 /nfs/dbraw/zinc/71/96/00/614719600.db2.gz OAVGDLIQHNKVST-ZDUSSCGKSA-N 2 2 267.417 0.971 20 0 CCADLP CCN(C(=O)c1ccc2c[nH+]cn2c1)C1C[NH+](CCO)C1 ZINC000950890658 614732905 /nfs/dbraw/zinc/73/29/05/614732905.db2.gz QBJVAAIFSWPMMR-UHFFFAOYSA-N 2 2 288.351 0.473 20 0 CCADLP CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]c[nH+]c1C ZINC000962396144 614828309 /nfs/dbraw/zinc/82/83/09/614828309.db2.gz KNJQOGLKVBWOGG-YABSGUDNSA-N 2 2 262.357 0.717 20 0 CCADLP CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]c[nH+]c1C ZINC000962396144 614828310 /nfs/dbraw/zinc/82/83/10/614828310.db2.gz KNJQOGLKVBWOGG-YABSGUDNSA-N 2 2 262.357 0.717 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000846867728 614849832 /nfs/dbraw/zinc/84/98/32/614849832.db2.gz JPSSZUCRCXSVGA-KGLIPLIRSA-N 2 2 296.415 0.468 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000846867728 614849833 /nfs/dbraw/zinc/84/98/33/614849833.db2.gz JPSSZUCRCXSVGA-KGLIPLIRSA-N 2 2 296.415 0.468 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931439050 614851032 /nfs/dbraw/zinc/85/10/32/614851032.db2.gz RGYMMSRNQYYXSG-BFHYXJOUSA-N 3 2 255.406 0.183 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931439050 614851035 /nfs/dbraw/zinc/85/10/35/614851035.db2.gz RGYMMSRNQYYXSG-BFHYXJOUSA-N 3 2 255.406 0.183 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931439050 614851036 /nfs/dbraw/zinc/85/10/36/614851036.db2.gz RGYMMSRNQYYXSG-BFHYXJOUSA-N 3 2 255.406 0.183 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931439050 614851039 /nfs/dbraw/zinc/85/10/39/614851039.db2.gz RGYMMSRNQYYXSG-BFHYXJOUSA-N 3 2 255.406 0.183 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH2+]C(C)(C)C(=O)N1CCCC1 ZINC000846881893 614852370 /nfs/dbraw/zinc/85/23/70/614852370.db2.gz DDHPUGIHKORTSB-LBPRGKRZSA-N 2 2 271.405 0.290 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+]C(C)(C)C(=O)N1CCCC1 ZINC000846881893 614852373 /nfs/dbraw/zinc/85/23/73/614852373.db2.gz DDHPUGIHKORTSB-LBPRGKRZSA-N 2 2 271.405 0.290 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000884361647 614861564 /nfs/dbraw/zinc/86/15/64/614861564.db2.gz WTKJUBFYEONGBH-BFHYXJOUSA-N 2 2 295.427 0.872 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000884361647 614861567 /nfs/dbraw/zinc/86/15/67/614861567.db2.gz WTKJUBFYEONGBH-BFHYXJOUSA-N 2 2 295.427 0.872 20 0 CCADLP CC1([NH+]2CCOCC2)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000864062478 614913058 /nfs/dbraw/zinc/91/30/58/614913058.db2.gz QPGBZQNFQQFJIV-UHFFFAOYSA-N 2 2 292.383 0.666 20 0 CCADLP CCCNc1cc(N2CC[C@H](N3CC[NH2+]CC3)C2)nc[nH+]1 ZINC000872774037 614921165 /nfs/dbraw/zinc/92/11/65/614921165.db2.gz BWUSCGFNMGXQIF-ZDUSSCGKSA-N 2 2 290.415 0.782 20 0 CCADLP CCCC[N@H+](C)CCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865746752 614948688 /nfs/dbraw/zinc/94/86/88/614948688.db2.gz UTZVGHWBANYLDR-WAYWQWQTSA-N 2 2 283.416 0.723 20 0 CCADLP CCCC[N@@H+](C)CCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000865746752 614948691 /nfs/dbraw/zinc/94/86/91/614948691.db2.gz UTZVGHWBANYLDR-WAYWQWQTSA-N 2 2 283.416 0.723 20 0 CCADLP CC1=NO[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000855415375 614979151 /nfs/dbraw/zinc/97/91/51/614979151.db2.gz WSYWZTHAQDDMHU-GFCCVEGCSA-N 2 2 270.377 0.151 20 0 CCADLP CC1=NO[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000855415375 614979153 /nfs/dbraw/zinc/97/91/53/614979153.db2.gz WSYWZTHAQDDMHU-GFCCVEGCSA-N 2 2 270.377 0.151 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC000847002047 615000121 /nfs/dbraw/zinc/00/01/21/615000121.db2.gz PKEPWYOPYQHIOK-NSHDSACASA-N 2 2 268.361 0.161 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886867825 615059690 /nfs/dbraw/zinc/05/96/90/615059690.db2.gz OXWPTWLWIAIELL-WFASDCNBSA-N 2 2 296.415 0.686 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886867825 615059691 /nfs/dbraw/zinc/05/96/91/615059691.db2.gz OXWPTWLWIAIELL-WFASDCNBSA-N 2 2 296.415 0.686 20 0 CCADLP CC[NH2+]CC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000844177091 615078578 /nfs/dbraw/zinc/07/85/78/615078578.db2.gz BDOAIHJNGWZWQS-UHFFFAOYSA-N 2 2 267.398 0.832 20 0 CCADLP CC[NH2+]CC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000844177091 615078579 /nfs/dbraw/zinc/07/85/79/615078579.db2.gz BDOAIHJNGWZWQS-UHFFFAOYSA-N 2 2 267.398 0.832 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898883398 615111528 /nfs/dbraw/zinc/11/15/28/615111528.db2.gz HPVCDKGXNOGZLM-NWDGAFQWSA-N 2 2 280.372 0.444 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000898883398 615111530 /nfs/dbraw/zinc/11/15/30/615111530.db2.gz HPVCDKGXNOGZLM-NWDGAFQWSA-N 2 2 280.372 0.444 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898883397 615114825 /nfs/dbraw/zinc/11/48/25/615114825.db2.gz HPVCDKGXNOGZLM-NEPJUHHUSA-N 2 2 280.372 0.444 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000898883397 615114826 /nfs/dbraw/zinc/11/48/26/615114826.db2.gz HPVCDKGXNOGZLM-NEPJUHHUSA-N 2 2 280.372 0.444 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000969467062 615119453 /nfs/dbraw/zinc/11/94/53/615119453.db2.gz ZDNIATJLRCQPDC-CABCVRRESA-N 2 2 295.427 0.698 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000969467062 615119454 /nfs/dbraw/zinc/11/94/54/615119454.db2.gz ZDNIATJLRCQPDC-CABCVRRESA-N 2 2 295.427 0.698 20 0 CCADLP CC[N@@H+]1CCCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000981327214 615120022 /nfs/dbraw/zinc/12/00/22/615120022.db2.gz PDRUOAKWEQCXBO-AWEZNQCLSA-N 2 2 293.415 0.368 20 0 CCADLP CC[N@H+]1CCCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)CC1 ZINC000981327214 615120023 /nfs/dbraw/zinc/12/00/23/615120023.db2.gz PDRUOAKWEQCXBO-AWEZNQCLSA-N 2 2 293.415 0.368 20 0 CCADLP CC[NH+]1CCN(CCNc2nccn3c[nH+]cc23)CC1 ZINC000891757020 615158540 /nfs/dbraw/zinc/15/85/40/615158540.db2.gz PCOMHGFKEJCWHP-UHFFFAOYSA-N 2 2 274.372 0.779 20 0 CCADLP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2c[nH]cn2)CC1 ZINC000894237268 615160400 /nfs/dbraw/zinc/16/04/00/615160400.db2.gz IGCNKBBDYGWQKC-CYBMUJFWSA-N 2 2 265.405 0.773 20 0 CCADLP CC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC000972656746 615189772 /nfs/dbraw/zinc/18/97/72/615189772.db2.gz WCNUVQCIRKJMKL-OAHLLOKOSA-N 2 2 292.383 0.584 20 0 CCADLP CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC000972656746 615189773 /nfs/dbraw/zinc/18/97/73/615189773.db2.gz WCNUVQCIRKJMKL-OAHLLOKOSA-N 2 2 292.383 0.584 20 0 CCADLP CCOC(=O)C[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923368771 615190603 /nfs/dbraw/zinc/19/06/03/615190603.db2.gz BOVFCOGXNNCBOX-GFCCVEGCSA-N 2 2 268.357 0.392 20 0 CCADLP CCOC(=O)C[N@@H+](C[C@H]1CC2(C[NH2+]C2)CO1)C1CC1 ZINC000923368771 615190605 /nfs/dbraw/zinc/19/06/05/615190605.db2.gz BOVFCOGXNNCBOX-GFCCVEGCSA-N 2 2 268.357 0.392 20 0 CCADLP CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]C[C@H]2C[NH2+]CCO2)C1 ZINC000852751102 615229051 /nfs/dbraw/zinc/22/90/51/615229051.db2.gz PBWJQDFIRZMLPW-MELADBBJSA-N 2 2 299.415 0.821 20 0 CCADLP CCOCCOCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000925873567 615282851 /nfs/dbraw/zinc/28/28/51/615282851.db2.gz BXTYDHKCVMFLPT-ZIAGYGMSSA-N 2 2 272.389 0.396 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000883348609 615321541 /nfs/dbraw/zinc/32/15/41/615321541.db2.gz XUFXJFLVCYDRIU-KGLIPLIRSA-N 2 2 297.447 0.016 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000883348609 615321545 /nfs/dbraw/zinc/32/15/45/615321545.db2.gz XUFXJFLVCYDRIU-KGLIPLIRSA-N 2 2 297.447 0.016 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@H]1CCCC[NH2+]1 ZINC000817948610 615326208 /nfs/dbraw/zinc/32/62/08/615326208.db2.gz BYXSMCCXOQSHCX-GRYCIOLGSA-N 2 2 255.362 0.012 20 0 CCADLP CCON(C)C(=O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000846063820 615336881 /nfs/dbraw/zinc/33/68/81/615336881.db2.gz OKMZZVURROIMMV-UHFFFAOYSA-N 2 2 255.362 0.613 20 0 CCADLP CC[C@@H](C(=O)N1CCC[NH2+]CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911656765 615370174 /nfs/dbraw/zinc/37/01/74/615370174.db2.gz SQVSUGJZFRFMBH-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@@H](C(=O)N1CCC[NH2+]CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000911656765 615370177 /nfs/dbraw/zinc/37/01/77/615370177.db2.gz SQVSUGJZFRFMBH-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@@H](C(=O)N[C@@H](C[NH3+])C1CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911831649 615383868 /nfs/dbraw/zinc/38/38/68/615383868.db2.gz CFQDTGJMZYUEIV-RDBSUJKOSA-N 2 2 283.416 0.729 20 0 CCADLP CC[C@@H](C(=O)N[C@@H](C[NH3+])C1CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000911831649 615383870 /nfs/dbraw/zinc/38/38/70/615383870.db2.gz CFQDTGJMZYUEIV-RDBSUJKOSA-N 2 2 283.416 0.729 20 0 CCADLP CCOC(=O)[C@](C)(O)C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880474292 615392434 /nfs/dbraw/zinc/39/24/34/615392434.db2.gz XSYGDSCXVHOFGW-OAHLLOKOSA-N 2 2 284.400 0.861 20 0 CCADLP CCO[C@@H](C[NH2+]C[C@@](C)(O)C(F)F)C[NH+](C)C ZINC000905580795 615410246 /nfs/dbraw/zinc/41/02/46/615410246.db2.gz QCKDTTMNVAEPHF-GXSJLCMTSA-N 2 2 254.321 0.559 20 0 CCADLP CCO[C@H](CNC(=O)CCn1cc[nH+]c1)C[NH+](C)C ZINC000831752096 615480608 /nfs/dbraw/zinc/48/06/08/615480608.db2.gz UWWHZZKCAILYOR-GFCCVEGCSA-N 2 2 268.361 0.356 20 0 CCADLP CCO[C@H](CNC(=O)Cc1c[nH+]cn1C)C[NH+](C)C ZINC000831724103 615480918 /nfs/dbraw/zinc/48/09/18/615480918.db2.gz MKIWGUOZCMHJIE-GFCCVEGCSA-N 2 2 268.361 0.046 20 0 CCADLP CCO[C@H](C[NH2+]C[C@@](C)(O)C(F)F)C[NH+](C)C ZINC000905580798 615483883 /nfs/dbraw/zinc/48/38/83/615483883.db2.gz QCKDTTMNVAEPHF-MWLCHTKSSA-N 2 2 254.321 0.559 20 0 CCADLP CCS(=O)(=O)CC[N@H+](C)CC1CC[NH+](C)CC1 ZINC000154830049 615532138 /nfs/dbraw/zinc/53/21/38/615532138.db2.gz SCUWSIBZOKGNLC-UHFFFAOYSA-N 2 2 262.419 0.695 20 0 CCADLP CCS(=O)(=O)CC[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000154830049 615532139 /nfs/dbraw/zinc/53/21/39/615532139.db2.gz SCUWSIBZOKGNLC-UHFFFAOYSA-N 2 2 262.419 0.695 20 0 CCADLP CCS(=O)(=O)CC[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000818951670 615537328 /nfs/dbraw/zinc/53/73/28/615537328.db2.gz MWERJQKMBQKBOB-UHFFFAOYSA-N 2 2 285.413 0.786 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H](C)C[NH2+]C ZINC000877432846 615568473 /nfs/dbraw/zinc/56/84/73/615568473.db2.gz INSHYRQSSLQXKE-VXGBXAGGSA-N 2 2 257.378 0.069 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H](C)C[NH2+]C ZINC000877432846 615568474 /nfs/dbraw/zinc/56/84/74/615568474.db2.gz INSHYRQSSLQXKE-VXGBXAGGSA-N 2 2 257.378 0.069 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000877435199 615568248 /nfs/dbraw/zinc/56/82/48/615568248.db2.gz ZEXPNXPBSSKETR-KFWWJZLASA-N 2 2 295.427 0.744 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000877435199 615568249 /nfs/dbraw/zinc/56/82/49/615568249.db2.gz ZEXPNXPBSSKETR-KFWWJZLASA-N 2 2 295.427 0.744 20 0 CCADLP CCn1nc(C)c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000855415206 615644196 /nfs/dbraw/zinc/64/41/96/615644196.db2.gz UROHTDWBNDSBJT-UHFFFAOYSA-N 2 2 296.419 0.220 20 0 CCADLP CCn1nc(C)c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000855415206 615644198 /nfs/dbraw/zinc/64/41/98/615644198.db2.gz UROHTDWBNDSBJT-UHFFFAOYSA-N 2 2 296.419 0.220 20 0 CCADLP CC[C@H](C)C[NH+]1CC(N(CC)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000949830202 615649455 /nfs/dbraw/zinc/64/94/55/615649455.db2.gz GBKFVUQJIHVUCH-DZGCQCFKSA-N 2 2 297.443 0.896 20 0 CCADLP CC[C@H](C)C[NH+]1CC(N(CC)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000949830202 615649457 /nfs/dbraw/zinc/64/94/57/615649457.db2.gz GBKFVUQJIHVUCH-DZGCQCFKSA-N 2 2 297.443 0.896 20 0 CCADLP CCc1cc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)nc(C)[nH+]1 ZINC000872757637 615652947 /nfs/dbraw/zinc/65/29/47/615652947.db2.gz HTVWTWVHULIKTF-UONOGXRCSA-N 2 2 276.384 0.993 20 0 CCADLP CCc1cc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)nc(C)[nH+]1 ZINC000872757637 615652950 /nfs/dbraw/zinc/65/29/50/615652950.db2.gz HTVWTWVHULIKTF-UONOGXRCSA-N 2 2 276.384 0.993 20 0 CCADLP CC[C@H](C)[NH+]1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000909262616 615672331 /nfs/dbraw/zinc/67/23/31/615672331.db2.gz UUWNQYATJJXDPX-NSHDSACASA-N 2 2 250.346 0.895 20 0 CCADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000905123427 615711647 /nfs/dbraw/zinc/71/16/47/615711647.db2.gz XWMOKEOAHMHQCV-KGLIPLIRSA-N 2 2 286.416 0.353 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000925680944 615727232 /nfs/dbraw/zinc/72/72/32/615727232.db2.gz LKNUGWZHUXSKGH-HBNTYKKESA-N 2 2 263.407 0.044 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000925680941 615727561 /nfs/dbraw/zinc/72/75/61/615727561.db2.gz LKNUGWZHUXSKGH-AXFHLTTASA-N 2 2 263.407 0.044 20 0 CCADLP CC[C@H](C[C@@](C)(O)CC)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000924840469 615748583 /nfs/dbraw/zinc/74/85/83/615748583.db2.gz WDVIPYBUUPWUCK-HIFRSBDPSA-N 2 2 285.432 0.680 20 0 CCADLP C[NH+](C)C1CC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000857227612 615854062 /nfs/dbraw/zinc/85/40/62/615854062.db2.gz QSMPVGMXZAASIW-ZBOXLXRLSA-N 2 2 262.357 0.654 20 0 CCADLP C[NH+](C)C1CC(NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC000897669069 615854787 /nfs/dbraw/zinc/85/47/87/615854787.db2.gz NRDXJVZSTOCVCY-QIMFLAQGSA-N 2 2 291.399 0.999 20 0 CCADLP C[NH+](C)C1CC(NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC000897669069 615854790 /nfs/dbraw/zinc/85/47/90/615854790.db2.gz NRDXJVZSTOCVCY-QIMFLAQGSA-N 2 2 291.399 0.999 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)/C=C\[C@@H]1CCCO1 ZINC000855417764 615878743 /nfs/dbraw/zinc/87/87/43/615878743.db2.gz OOLOUDJNVLDEGZ-DANTVBBOSA-N 2 2 283.416 0.721 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)/C=C\[C@@H]1CCCO1 ZINC000855417764 615878744 /nfs/dbraw/zinc/87/87/44/615878744.db2.gz OOLOUDJNVLDEGZ-DANTVBBOSA-N 2 2 283.416 0.721 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ccon1 ZINC000853817061 615879153 /nfs/dbraw/zinc/87/91/53/615879153.db2.gz LWIYUWOMKFPTLU-UHFFFAOYSA-N 2 2 283.376 0.357 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ccon1 ZINC000853817061 615879154 /nfs/dbraw/zinc/87/91/54/615879154.db2.gz LWIYUWOMKFPTLU-UHFFFAOYSA-N 2 2 283.376 0.357 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H](O)C(C)(C)C ZINC000855414476 615879520 /nfs/dbraw/zinc/87/95/20/615879520.db2.gz DNIUAFIHEBEIAR-GFCCVEGCSA-N 2 2 273.421 0.393 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H](O)C(C)(C)C ZINC000855414476 615879522 /nfs/dbraw/zinc/87/95/22/615879522.db2.gz DNIUAFIHEBEIAR-GFCCVEGCSA-N 2 2 273.421 0.393 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@]1(C)CCCCO1 ZINC000855417461 615879561 /nfs/dbraw/zinc/87/95/61/615879561.db2.gz HDFWFIAYKLQQTD-HNNXBMFYSA-N 2 2 285.432 0.945 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@]1(C)CCCCO1 ZINC000855417461 615879563 /nfs/dbraw/zinc/87/95/63/615879563.db2.gz HDFWFIAYKLQQTD-HNNXBMFYSA-N 2 2 285.432 0.945 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1nccnc1Cl ZINC000912387650 615880192 /nfs/dbraw/zinc/88/01/92/615880192.db2.gz RLFLZSQIXCOADY-UHFFFAOYSA-N 2 2 299.806 0.743 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1nccnc1Cl ZINC000912387650 615880193 /nfs/dbraw/zinc/88/01/93/615880193.db2.gz RLFLZSQIXCOADY-UHFFFAOYSA-N 2 2 299.806 0.743 20 0 CCADLP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925491128 615897260 /nfs/dbraw/zinc/89/72/60/615897260.db2.gz DIEYUXOFRWXJRJ-HNNXBMFYSA-N 3 2 282.476 0.990 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NOCC[NH+](C)C ZINC000854690603 615908055 /nfs/dbraw/zinc/90/80/55/615908055.db2.gz ZUGLTSFKZOXSGK-NXEZZACHSA-N 2 2 252.318 0.133 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])C(C)C ZINC000877432780 615925907 /nfs/dbraw/zinc/92/59/07/615925907.db2.gz GYYFBEMFNNUWKR-RYUDHWBXSA-N 2 2 257.378 0.197 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])C(C)C ZINC000877432780 615925909 /nfs/dbraw/zinc/92/59/09/615925909.db2.gz GYYFBEMFNNUWKR-RYUDHWBXSA-N 2 2 257.378 0.197 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CCC(C)C ZINC000877434776 615926508 /nfs/dbraw/zinc/92/65/08/615926508.db2.gz UOCXUTZNNOKFNS-KBPBESRZSA-N 2 2 285.432 0.977 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CCC(C)C ZINC000877434776 615926509 /nfs/dbraw/zinc/92/65/09/615926509.db2.gz UOCXUTZNNOKFNS-KBPBESRZSA-N 2 2 285.432 0.977 20 0 CCADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000843062781 615926579 /nfs/dbraw/zinc/92/65/79/615926579.db2.gz QHMNSGUTULBITA-STQMWFEESA-N 2 2 272.776 0.886 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCOC[C@@H]2CC)CC[N@@H+]1C ZINC000874711237 615927697 /nfs/dbraw/zinc/92/76/97/615927697.db2.gz NUFRVCPLSYJFRR-SOUVJXGZSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCOC[C@@H]2CC)CC[N@H+]1C ZINC000874711237 615927701 /nfs/dbraw/zinc/92/77/01/615927701.db2.gz NUFRVCPLSYJFRR-SOUVJXGZSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+]2CCOC[C@@H]2CC)CC[NH+]1C ZINC000874711237 615927704 /nfs/dbraw/zinc/92/77/04/615927704.db2.gz NUFRVCPLSYJFRR-SOUVJXGZSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[N@H+]2CCOC[C@@H]2CC)CC[NH+]1C ZINC000874711237 615927706 /nfs/dbraw/zinc/92/77/06/615927706.db2.gz NUFRVCPLSYJFRR-SOUVJXGZSA-N 2 2 297.443 0.944 20 0 CCADLP C[NH+](C)C[C@@H]1CN(c2cc(CO)cc[nH+]2)C[C@H]1C[NH+](C)C ZINC000882679354 615930824 /nfs/dbraw/zinc/93/08/24/615930824.db2.gz VNDQOHPOHRSTCT-HUUCEWRRSA-N 3 2 292.427 0.750 20 0 CCADLP C[NH+](C)C[C@H](N)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000876873623 615940501 /nfs/dbraw/zinc/94/05/01/615940501.db2.gz MFGZJKOWOWPWLR-LSDHHAIUSA-N 2 2 290.411 0.391 20 0 CCADLP C[NH+](C)C[C@H](N)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000876873623 615940504 /nfs/dbraw/zinc/94/05/04/615940504.db2.gz MFGZJKOWOWPWLR-LSDHHAIUSA-N 2 2 290.411 0.391 20 0 CCADLP CC[C@](C)(O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932576183 615954126 /nfs/dbraw/zinc/95/41/26/615954126.db2.gz LAEJICMLCGECMP-ZBFHGGJFSA-N 2 2 297.443 0.774 20 0 CCADLP CC[C@](C)(O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932576183 615954128 /nfs/dbraw/zinc/95/41/28/615954128.db2.gz LAEJICMLCGECMP-ZBFHGGJFSA-N 2 2 297.443 0.774 20 0 CCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21 ZINC000961614611 615956758 /nfs/dbraw/zinc/95/67/58/615956758.db2.gz GVNUHZOGLZVLIR-ITGUQSILSA-N 2 2 295.358 0.971 20 0 CCADLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC000961614611 615956759 /nfs/dbraw/zinc/95/67/59/615956759.db2.gz GVNUHZOGLZVLIR-ITGUQSILSA-N 2 2 295.358 0.971 20 0 CCADLP C[NH+](C)Cc1cnc(C[NH2+]CCN2CC[C@@H](O)C2)s1 ZINC000858298920 615957170 /nfs/dbraw/zinc/95/71/70/615957170.db2.gz ZLZLPTQVKRLUIY-LLVKDONJSA-N 2 2 284.429 0.361 20 0 CCADLP CN(C)C(=O)COc1ccccc1C[NH2+]CC1([NH3+])CC1 ZINC000904451634 615974405 /nfs/dbraw/zinc/97/44/05/615974405.db2.gz XNCVUDAUAFAYCT-UHFFFAOYSA-N 2 2 277.368 0.735 20 0 CCADLP C[NH+](C)[C@@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000799168973 615976478 /nfs/dbraw/zinc/97/64/78/615976478.db2.gz TVUMMLCYEXXRGQ-GHMZBOCLSA-N 2 2 253.346 0.208 20 0 CCADLP C[NH+](C)[C@@H]1CCC[N@H+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000799168973 615976479 /nfs/dbraw/zinc/97/64/79/615976479.db2.gz TVUMMLCYEXXRGQ-GHMZBOCLSA-N 2 2 253.346 0.208 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cnc(N)cn1 ZINC000873209928 615981185 /nfs/dbraw/zinc/98/11/85/615981185.db2.gz WDAQRCHUXDNRFI-MCIONIFRSA-N 2 2 291.399 0.742 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cnc(N)cn1 ZINC000873209928 615981187 /nfs/dbraw/zinc/98/11/87/615981187.db2.gz WDAQRCHUXDNRFI-MCIONIFRSA-N 2 2 291.399 0.742 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000898832190 615986328 /nfs/dbraw/zinc/98/63/28/615986328.db2.gz LFNGIJAGURTGSC-QWHCGFSZSA-N 2 2 276.384 0.952 20 0 CCADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cnccn1 ZINC000856768238 616007325 /nfs/dbraw/zinc/00/73/25/616007325.db2.gz DUXIMTDQLALRIN-CQSZACIVSA-N 2 2 291.399 0.509 20 0 CCADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cnccn1 ZINC000856768238 616007327 /nfs/dbraw/zinc/00/73/27/616007327.db2.gz DUXIMTDQLALRIN-CQSZACIVSA-N 2 2 291.399 0.509 20 0 CCADLP CN(C)c1cc[nH+]c(CNC(=O)Cc2c[nH]c[nH+]2)c1 ZINC000927709079 616026916 /nfs/dbraw/zinc/02/69/16/616026916.db2.gz MLBQAFJLWVTVJI-UHFFFAOYSA-N 2 2 259.313 0.730 20 0 CCADLP C[N@H+](CC(=O)NCc1ccccc1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923318238 616047923 /nfs/dbraw/zinc/04/79/23/616047923.db2.gz XXDMSQBQWGUWOB-IHRRRGAJSA-N 2 2 277.368 0.085 20 0 CCADLP C[N@@H+](CC(=O)NCc1ccccc1)[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923318238 616047924 /nfs/dbraw/zinc/04/79/24/616047924.db2.gz XXDMSQBQWGUWOB-IHRRRGAJSA-N 2 2 277.368 0.085 20 0 CCADLP C[N@H+](CCCCCC[NH3+])Cc1nnc2c(=O)[nH]ccn12 ZINC000883441457 616072379 /nfs/dbraw/zinc/07/23/79/616072379.db2.gz OWYCDLCJAANVPI-UHFFFAOYSA-N 2 2 278.360 0.369 20 0 CCADLP C[N@@H+](CCCCCC[NH3+])Cc1nnc2c(=O)[nH]ccn12 ZINC000883441457 616072380 /nfs/dbraw/zinc/07/23/80/616072380.db2.gz OWYCDLCJAANVPI-UHFFFAOYSA-N 2 2 278.360 0.369 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H](O)C[C@]1(O)CCOC1 ZINC000930124205 616076796 /nfs/dbraw/zinc/07/67/96/616076796.db2.gz HJNMPYDJFRTHOG-ZIAGYGMSSA-N 2 2 283.372 0.107 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H](O)C[C@]1(O)CCOC1 ZINC000930124205 616076797 /nfs/dbraw/zinc/07/67/97/616076797.db2.gz HJNMPYDJFRTHOG-ZIAGYGMSSA-N 2 2 283.372 0.107 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]([N@H+](C)CCF)C1 ZINC000972725295 616080758 /nfs/dbraw/zinc/08/07/58/616080758.db2.gz VLMFPRAPRMCNNJ-NSHDSACASA-N 2 2 268.336 0.465 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]([N@@H+](C)CCF)C1 ZINC000972725295 616080759 /nfs/dbraw/zinc/08/07/59/616080759.db2.gz VLMFPRAPRMCNNJ-NSHDSACASA-N 2 2 268.336 0.465 20 0 CCADLP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)Cn1cc[nH+]c1 ZINC000829236527 616085434 /nfs/dbraw/zinc/08/54/34/616085434.db2.gz WLNSOFGDFPMKQU-UHFFFAOYSA-N 2 2 292.383 0.454 20 0 CCADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1nc2c(o1)CCCC2 ZINC000872141717 616088428 /nfs/dbraw/zinc/08/84/28/616088428.db2.gz PQVPMBFUMDNDOU-UHFFFAOYSA-N 2 2 278.400 0.890 20 0 CCADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1nc2c(o1)CCCC2 ZINC000872141717 616088429 /nfs/dbraw/zinc/08/84/29/616088429.db2.gz PQVPMBFUMDNDOU-UHFFFAOYSA-N 2 2 278.400 0.890 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)NCCC(C)(C)[NH3+] ZINC000892859727 616089629 /nfs/dbraw/zinc/08/96/29/616089629.db2.gz ZDBBCYYWESZFOU-UHFFFAOYSA-N 2 2 272.393 0.087 20 0 CCADLP C[N@@H+](Cc1cc[nH]n1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903739199 616165668 /nfs/dbraw/zinc/16/56/68/616165668.db2.gz FCUNBQYENSXLJA-STQMWFEESA-N 2 2 250.346 0.610 20 0 CCADLP C[N@H+](Cc1cc[nH]n1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903739199 616165670 /nfs/dbraw/zinc/16/56/70/616165670.db2.gz FCUNBQYENSXLJA-STQMWFEESA-N 2 2 250.346 0.610 20 0 CCADLP C[N@@H+]1CCCC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000862793991 616178585 /nfs/dbraw/zinc/17/85/85/616178585.db2.gz USVPKPKMVAQCPM-NSHDSACASA-N 2 2 250.346 0.800 20 0 CCADLP C[N@H+]1CCCC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000862793991 616178586 /nfs/dbraw/zinc/17/85/86/616178586.db2.gz USVPKPKMVAQCPM-NSHDSACASA-N 2 2 250.346 0.800 20 0 CCADLP C[N@@H+]1CCC[C@@H]2C[NH+](CN3C[C@@H]4C[C@@H]4C3=O)CC[C@H]21 ZINC000902185049 616198188 /nfs/dbraw/zinc/19/81/88/616198188.db2.gz DKOHXPWXWDCHQO-ZOBORPQBSA-N 2 2 263.385 0.838 20 0 CCADLP C[N@H+]1CCC[C@@H]2C[NH+](CN3C[C@@H]4C[C@@H]4C3=O)CC[C@H]21 ZINC000902185049 616198189 /nfs/dbraw/zinc/19/81/89/616198189.db2.gz DKOHXPWXWDCHQO-ZOBORPQBSA-N 2 2 263.385 0.838 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@H+](CN3C[C@@H]4C[C@@H]4C3=O)CC[C@H]21 ZINC000902185049 616198190 /nfs/dbraw/zinc/19/81/90/616198190.db2.gz DKOHXPWXWDCHQO-ZOBORPQBSA-N 2 2 263.385 0.838 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@@H+](CN3C[C@@H]4C[C@@H]4C3=O)CC[C@H]21 ZINC000902185049 616198191 /nfs/dbraw/zinc/19/81/91/616198191.db2.gz DKOHXPWXWDCHQO-ZOBORPQBSA-N 2 2 263.385 0.838 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H](O)Cn1cccn1 ZINC000880133861 616199503 /nfs/dbraw/zinc/19/95/03/616199503.db2.gz QSZNGIPLYMWSBN-HZSPNIEDSA-N 2 2 264.373 0.413 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H](O)Cn1cccn1 ZINC000880133861 616199504 /nfs/dbraw/zinc/19/95/04/616199504.db2.gz QSZNGIPLYMWSBN-HZSPNIEDSA-N 2 2 264.373 0.413 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H](O)Cn1cccn1 ZINC000880133861 616199505 /nfs/dbraw/zinc/19/95/05/616199505.db2.gz QSZNGIPLYMWSBN-HZSPNIEDSA-N 2 2 264.373 0.413 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H](O)Cn1cccn1 ZINC000880133861 616199506 /nfs/dbraw/zinc/19/95/06/616199506.db2.gz QSZNGIPLYMWSBN-HZSPNIEDSA-N 2 2 264.373 0.413 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC000870081692 616209613 /nfs/dbraw/zinc/20/96/13/616209613.db2.gz HQJUVWNVIURSCO-GJZGRUSLSA-N 2 2 289.379 0.959 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC000870081692 616209614 /nfs/dbraw/zinc/20/96/14/616209614.db2.gz HQJUVWNVIURSCO-GJZGRUSLSA-N 2 2 289.379 0.959 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000928072709 616212658 /nfs/dbraw/zinc/21/26/58/616212658.db2.gz GWOMNCYJNJRVKE-RWMBFGLXSA-N 2 2 283.441 0.777 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928072709 616212660 /nfs/dbraw/zinc/21/26/60/616212660.db2.gz GWOMNCYJNJRVKE-RWMBFGLXSA-N 2 2 283.441 0.777 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928072709 616212661 /nfs/dbraw/zinc/21/26/61/616212661.db2.gz GWOMNCYJNJRVKE-RWMBFGLXSA-N 2 2 283.441 0.777 20 0 CCADLP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)CCn1cc[nH+]c1 ZINC000874835715 616216021 /nfs/dbraw/zinc/21/60/21/616216021.db2.gz AWJTZFJWLCUMAP-STQMWFEESA-N 2 2 262.357 0.968 20 0 CCADLP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)CCn1cc[nH+]c1 ZINC000874835715 616216022 /nfs/dbraw/zinc/21/60/22/616216022.db2.gz AWJTZFJWLCUMAP-STQMWFEESA-N 2 2 262.357 0.968 20 0 CCADLP C[N@@H+]1CCC[C@](O)(CC(=O)N[C@@H]2CCn3c[nH+]cc32)C1 ZINC000912585559 616218876 /nfs/dbraw/zinc/21/88/76/616218876.db2.gz YDUCAWXWTLCOMU-RISCZKNCSA-N 2 2 278.356 0.291 20 0 CCADLP C[N@H+]1CCC[C@](O)(CC(=O)N[C@@H]2CCn3c[nH+]cc32)C1 ZINC000912585559 616218877 /nfs/dbraw/zinc/21/88/77/616218877.db2.gz YDUCAWXWTLCOMU-RISCZKNCSA-N 2 2 278.356 0.291 20 0 CCADLP C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000925141656 616226221 /nfs/dbraw/zinc/22/62/21/616226221.db2.gz UFHRFGCNKWLLFR-CHWSQXEVSA-N 2 2 298.456 0.523 20 0 CCADLP C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000925141656 616226222 /nfs/dbraw/zinc/22/62/22/616226222.db2.gz UFHRFGCNKWLLFR-CHWSQXEVSA-N 2 2 298.456 0.523 20 0 CCADLP CN1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC[N@H+](C)CC1 ZINC000888992800 616236170 /nfs/dbraw/zinc/23/61/70/616236170.db2.gz ZMDRFUGAENWEQV-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP CN1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+](C)CC1 ZINC000888992800 616236171 /nfs/dbraw/zinc/23/61/71/616236171.db2.gz ZMDRFUGAENWEQV-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP CN1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+](C)CC1 ZINC000888992800 616236172 /nfs/dbraw/zinc/23/61/72/616236172.db2.gz ZMDRFUGAENWEQV-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP CN1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC[NH+](C)CC1 ZINC000888992800 616236173 /nfs/dbraw/zinc/23/61/73/616236173.db2.gz ZMDRFUGAENWEQV-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP C[NH+]1CCN(C2CC[NH+](Cc3cccnc3N)CC2)CC1 ZINC000879596724 616239283 /nfs/dbraw/zinc/23/92/83/616239283.db2.gz RIRITCYZECZJMA-UHFFFAOYSA-N 2 2 289.427 0.876 20 0 CCADLP CN1CCOC[C@@H]1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925717391 616249049 /nfs/dbraw/zinc/24/90/49/616249049.db2.gz JKYNWEBBCKDSOZ-QWHCGFSZSA-N 2 2 253.390 0.581 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC12CCCCC2 ZINC000908573766 616257878 /nfs/dbraw/zinc/25/78/78/616257878.db2.gz PJHAQLIBKIGBPS-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC12CCCCC2 ZINC000908573766 616257879 /nfs/dbraw/zinc/25/78/79/616257879.db2.gz PJHAQLIBKIGBPS-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CC[N@H+](C)C3(CCCCC3)C2)C1 ZINC000908573766 616257880 /nfs/dbraw/zinc/25/78/80/616257880.db2.gz PJHAQLIBKIGBPS-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827276747 616314102 /nfs/dbraw/zinc/31/41/02/616314102.db2.gz FJIXSGOHKDMPHC-OCCSQVGLSA-N 2 2 276.384 0.905 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000827276747 616314108 /nfs/dbraw/zinc/31/41/08/616314108.db2.gz FJIXSGOHKDMPHC-OCCSQVGLSA-N 2 2 276.384 0.905 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CC[C@@H]21 ZINC000827244521 616324084 /nfs/dbraw/zinc/32/40/84/616324084.db2.gz BBUVTNJFPGVWDP-MCIONIFRSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)CC[C@@H]21 ZINC000827244521 616324090 /nfs/dbraw/zinc/32/40/90/616324090.db2.gz BBUVTNJFPGVWDP-MCIONIFRSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)Nc3ccccn3)C[C@@H]2C1 ZINC000931441342 616331564 /nfs/dbraw/zinc/33/15/64/616331564.db2.gz GNOVSKAMSUWPAA-OLZOCXBDSA-N 2 2 274.368 0.904 20 0 CCADLP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)Nc3ccccn3)C[C@@H]2C1 ZINC000931441342 616331569 /nfs/dbraw/zinc/33/15/69/616331569.db2.gz GNOVSKAMSUWPAA-OLZOCXBDSA-N 2 2 274.368 0.904 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)Nc3ccccn3)C[C@@H]2C1 ZINC000931441342 616331575 /nfs/dbraw/zinc/33/15/75/616331575.db2.gz GNOVSKAMSUWPAA-OLZOCXBDSA-N 2 2 274.368 0.904 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)Nc3ccccn3)C[C@@H]2C1 ZINC000931441342 616331579 /nfs/dbraw/zinc/33/15/79/616331579.db2.gz GNOVSKAMSUWPAA-OLZOCXBDSA-N 2 2 274.368 0.904 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902375278 616351235 /nfs/dbraw/zinc/35/12/35/616351235.db2.gz UNDZLUMGRMQVAT-TZMCWYRMSA-N 3 2 255.406 0.421 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902375278 616351238 /nfs/dbraw/zinc/35/12/38/616351238.db2.gz UNDZLUMGRMQVAT-TZMCWYRMSA-N 3 2 255.406 0.421 20 0 CCADLP C[N@@H+]1C[C@@H]2CCN(C(=O)CNc3cccc[nH+]3)[C@@H]2C1 ZINC000908347816 616353660 /nfs/dbraw/zinc/35/36/60/616353660.db2.gz MGONMCXCGXYQGF-NWDGAFQWSA-N 2 2 260.341 0.656 20 0 CCADLP C[N@H+]1C[C@@H]2CCN(C(=O)CNc3cccc[nH+]3)[C@@H]2C1 ZINC000908347816 616353663 /nfs/dbraw/zinc/35/36/63/616353663.db2.gz MGONMCXCGXYQGF-NWDGAFQWSA-N 2 2 260.341 0.656 20 0 CCADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000894307082 616356936 /nfs/dbraw/zinc/35/69/36/616356936.db2.gz BANBDXFXKVKKST-XQQFMLRXSA-N 2 2 289.383 0.543 20 0 CCADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000894307082 616356939 /nfs/dbraw/zinc/35/69/39/616356939.db2.gz BANBDXFXKVKKST-XQQFMLRXSA-N 2 2 289.383 0.543 20 0 CCADLP C[N@@H+]1C[C@@H]2CN(C(=O)NCCn3cc[nH+]c3)C[C@]2(C)C1 ZINC000891555498 616379325 /nfs/dbraw/zinc/37/93/25/616379325.db2.gz OTCMSLFMTLOWJH-OCCSQVGLSA-N 2 2 277.372 0.476 20 0 CCADLP C[N@H+]1C[C@@H]2CN(C(=O)NCCn3cc[nH+]c3)C[C@]2(C)C1 ZINC000891555498 616379331 /nfs/dbraw/zinc/37/93/31/616379331.db2.gz OTCMSLFMTLOWJH-OCCSQVGLSA-N 2 2 277.372 0.476 20 0 CCADLP C[N@@H+]1C[C@H]2CCN(C(=O)NCCn3cc[nH+]c3)[C@@H]2C1 ZINC000891554853 616390248 /nfs/dbraw/zinc/39/02/48/616390248.db2.gz BTQLDXZPYVUOOP-VXGBXAGGSA-N 2 2 263.345 0.229 20 0 CCADLP C[N@H+]1C[C@H]2CCN(C(=O)NCCn3cc[nH+]c3)[C@@H]2C1 ZINC000891554853 616390252 /nfs/dbraw/zinc/39/02/52/616390252.db2.gz BTQLDXZPYVUOOP-VXGBXAGGSA-N 2 2 263.345 0.229 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC000941130881 616393058 /nfs/dbraw/zinc/39/30/58/616393058.db2.gz WTCLLECRNCYUHQ-GFCCVEGCSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC000941130881 616393062 /nfs/dbraw/zinc/39/30/62/616393062.db2.gz WTCLLECRNCYUHQ-GFCCVEGCSA-N 2 2 294.399 0.815 20 0 CCADLP COC(=O)C1=C(C)O[C@@H](C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1 ZINC000931278545 616405148 /nfs/dbraw/zinc/40/51/48/616405148.db2.gz FHHNGMWBRJREKC-ZZVYKPCYSA-N 2 2 280.368 0.714 20 0 CCADLP COC(=O)C1=C(C)O[C@@H](C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1 ZINC000931278545 616405152 /nfs/dbraw/zinc/40/51/52/616405152.db2.gz FHHNGMWBRJREKC-ZZVYKPCYSA-N 2 2 280.368 0.714 20 0 CCADLP C[N@@H+]1CC[C@H]1CNC[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000905546160 616432093 /nfs/dbraw/zinc/43/20/93/616432093.db2.gz JDGVWAIXDSBUMB-DLBZAZTESA-N 2 2 289.423 0.917 20 0 CCADLP C[N@H+]1CC[C@H]1CNC[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000905546160 616432097 /nfs/dbraw/zinc/43/20/97/616432097.db2.gz JDGVWAIXDSBUMB-DLBZAZTESA-N 2 2 289.423 0.917 20 0 CCADLP C[NH+]1CC[C@H]1CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000905546160 616432100 /nfs/dbraw/zinc/43/21/00/616432100.db2.gz JDGVWAIXDSBUMB-DLBZAZTESA-N 2 2 289.423 0.917 20 0 CCADLP C[NH+]1CC[C@H]1CNC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000905546160 616432105 /nfs/dbraw/zinc/43/21/05/616432105.db2.gz JDGVWAIXDSBUMB-DLBZAZTESA-N 2 2 289.423 0.917 20 0 CCADLP C[N@@H+]1CC[C@H]2CN(CC[NH+]3CCOCC3)CC[C@H]21 ZINC000879572684 616444550 /nfs/dbraw/zinc/44/45/50/616444550.db2.gz IYRJBGVTZMVXDI-UONOGXRCSA-N 2 2 253.390 0.345 20 0 CCADLP C[N@H+]1CC[C@H]2CN(CC[NH+]3CCOCC3)CC[C@H]21 ZINC000879572684 616444554 /nfs/dbraw/zinc/44/45/54/616444554.db2.gz IYRJBGVTZMVXDI-UONOGXRCSA-N 2 2 253.390 0.345 20 0 CCADLP COCCNC(=[NH2+])NCCc1cn2cccc(C)c2[nH+]1 ZINC000849003227 616482411 /nfs/dbraw/zinc/48/24/11/616482411.db2.gz YCKQRQHDCBEOEQ-UHFFFAOYSA-N 2 2 275.356 0.946 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC000895292854 616509708 /nfs/dbraw/zinc/50/97/08/616509708.db2.gz ZSTTVTXEPSTWIO-TXEJJXNPSA-N 2 2 277.372 0.166 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1 ZINC000895292854 616509710 /nfs/dbraw/zinc/50/97/10/616509710.db2.gz ZSTTVTXEPSTWIO-TXEJJXNPSA-N 2 2 277.372 0.166 20 0 CCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CC[C@H]([NH3+])C1 ZINC000892616584 616516323 /nfs/dbraw/zinc/51/63/23/616516323.db2.gz WWRFONGCILCXKQ-JSGCOSHPSA-N 2 2 274.368 0.916 20 0 CCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CC[C@H]([NH3+])C1 ZINC000892616584 616516325 /nfs/dbraw/zinc/51/63/25/616516325.db2.gz WWRFONGCILCXKQ-JSGCOSHPSA-N 2 2 274.368 0.916 20 0 CCADLP COCCOC[C@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000893707619 616566423 /nfs/dbraw/zinc/56/64/23/616566423.db2.gz WGPXGAYODUSJJJ-RYUDHWBXSA-N 2 2 253.346 0.839 20 0 CCADLP COCCS(=O)(=O)CCC[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000843364505 616606235 /nfs/dbraw/zinc/60/62/35/616606235.db2.gz KTDFOSCENIGNFV-RYUDHWBXSA-N 2 2 278.418 0.107 20 0 CCADLP COCCS(=O)(=O)CCC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000843364505 616606239 /nfs/dbraw/zinc/60/62/39/616606239.db2.gz KTDFOSCENIGNFV-RYUDHWBXSA-N 2 2 278.418 0.107 20 0 CCADLP COCCS(=O)(=O)CCC[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000842475991 616607086 /nfs/dbraw/zinc/60/70/86/616607086.db2.gz CSSXDRFCBSRJSO-RWMBFGLXSA-N 2 2 292.445 0.414 20 0 CCADLP COCC[C@@H]([NH3+])C(=O)NCCCNc1cccc[nH+]1 ZINC000884192937 616633485 /nfs/dbraw/zinc/63/34/85/616633485.db2.gz RJZDTDVQTKNKRI-LLVKDONJSA-N 2 2 266.345 0.364 20 0 CCADLP COCC[C@@H]([NH3+])C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000884308205 616636169 /nfs/dbraw/zinc/63/61/69/616636169.db2.gz IJGGFVOGRJCCAR-CYBMUJFWSA-N 2 2 288.351 0.852 20 0 CCADLP CO[C@@H]1CC[C@H]([NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000851863031 616706856 /nfs/dbraw/zinc/70/68/56/616706856.db2.gz JHSWHZBUMWFEJL-ZNMIVQPWSA-N 2 2 295.427 0.968 20 0 CCADLP CO[C@@H]1CC[C@H]([NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000851863031 616706860 /nfs/dbraw/zinc/70/68/60/616706860.db2.gz JHSWHZBUMWFEJL-ZNMIVQPWSA-N 2 2 295.427 0.968 20 0 CCADLP COC[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@H]1CCCO1 ZINC000925653189 616726468 /nfs/dbraw/zinc/72/64/68/616726468.db2.gz KBZZSZCLSWFMJR-AAFZENKGSA-N 2 2 266.385 0.766 20 0 CCADLP COC[C@H]1COCC[N@H+]1CCCn1cc[nH+]c1C ZINC000933333640 616805093 /nfs/dbraw/zinc/80/50/93/616805093.db2.gz IUEMKKOVKTYLGR-ZDUSSCGKSA-N 2 2 253.346 0.929 20 0 CCADLP CO[C@@H]1COCC[C@H]1[N@H+](C)CCc1c[nH+]cn1C ZINC000880436931 616811516 /nfs/dbraw/zinc/81/15/16/616811516.db2.gz DBNJAHSZMXSGEE-CHWSQXEVSA-N 2 2 253.346 0.698 20 0 CCADLP CO[C@@H]1COCC[C@H]1[N@@H+](C)CCc1c[nH+]cn1C ZINC000880436931 616811519 /nfs/dbraw/zinc/81/15/19/616811519.db2.gz DBNJAHSZMXSGEE-CHWSQXEVSA-N 2 2 253.346 0.698 20 0 CCADLP COC[C@@H](C[N@@H+]1CCc2[nH+]ccc(N)c2C1)OC ZINC000931515409 616854621 /nfs/dbraw/zinc/85/46/21/616854621.db2.gz DMBXABCYNGGIDU-SNVBAGLBSA-N 2 2 251.330 0.683 20 0 CCADLP COC[C@@H](C[N@H+]1CCc2[nH+]ccc(N)c2C1)OC ZINC000931515409 616854625 /nfs/dbraw/zinc/85/46/25/616854625.db2.gz DMBXABCYNGGIDU-SNVBAGLBSA-N 2 2 251.330 0.683 20 0 CCADLP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)[nH]1 ZINC000904420542 616900818 /nfs/dbraw/zinc/90/08/18/616900818.db2.gz SAVZBHMTYAQYAN-WDEREUQCSA-N 2 2 263.341 0.843 20 0 CCADLP COC(=O)c1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)[nH]1 ZINC000904420542 616900821 /nfs/dbraw/zinc/90/08/21/616900821.db2.gz SAVZBHMTYAQYAN-WDEREUQCSA-N 2 2 263.341 0.843 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000923365404 616967970 /nfs/dbraw/zinc/96/79/70/616967970.db2.gz VJWPZKXSGAIBLB-HRCADAONSA-N 3 2 299.459 0.390 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000923365404 616967973 /nfs/dbraw/zinc/96/79/73/616967973.db2.gz VJWPZKXSGAIBLB-HRCADAONSA-N 3 2 299.459 0.390 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000923365404 616967979 /nfs/dbraw/zinc/96/79/79/616967979.db2.gz VJWPZKXSGAIBLB-HRCADAONSA-N 3 2 299.459 0.390 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000923365404 616967981 /nfs/dbraw/zinc/96/79/81/616967981.db2.gz VJWPZKXSGAIBLB-HRCADAONSA-N 3 2 299.459 0.390 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(CO)(C(F)(F)F)CC1 ZINC000923526924 616987735 /nfs/dbraw/zinc/98/77/35/616987735.db2.gz WBMQDAFXHNOJBW-SNVBAGLBSA-N 2 2 284.322 0.594 20 0 CCADLP CON(C)C(=O)CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000819143881 617017599 /nfs/dbraw/zinc/01/75/99/617017599.db2.gz PUUIZEXFFDBFMP-WDEREUQCSA-N 2 2 255.362 0.611 20 0 CCADLP CON(C)C(=O)CC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000819143881 617017603 /nfs/dbraw/zinc/01/76/03/617017603.db2.gz PUUIZEXFFDBFMP-WDEREUQCSA-N 2 2 255.362 0.611 20 0 CCADLP C[NH2+][C@@H](C)C(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000848415360 617040732 /nfs/dbraw/zinc/04/07/32/617040732.db2.gz SEVDHKIPWHXQPJ-VIFPVBQESA-N 2 2 263.332 0.782 20 0 CCADLP C[NH2+][C@@H](C)C(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000848415360 617040736 /nfs/dbraw/zinc/04/07/36/617040736.db2.gz SEVDHKIPWHXQPJ-VIFPVBQESA-N 2 2 263.332 0.782 20 0 CCADLP CON(C)C(=O)[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000858584723 617053660 /nfs/dbraw/zinc/05/36/60/617053660.db2.gz WDBPYMQQIZRQBM-LLVKDONJSA-N 2 2 257.378 0.857 20 0 CCADLP CO[C@@H]1C[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C[C@@H]1OC ZINC000903917548 617111456 /nfs/dbraw/zinc/11/14/56/617111456.db2.gz ZSDIHRNKPSPRRX-FPMFFAJLSA-N 2 2 295.387 0.048 20 0 CCADLP CO[C@@H]1C[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C[C@@H]1OC ZINC000903917548 617111458 /nfs/dbraw/zinc/11/14/58/617111458.db2.gz ZSDIHRNKPSPRRX-FPMFFAJLSA-N 2 2 295.387 0.048 20 0 CCADLP COc1c(C)c[nH+]c(CNC(=O)NC[C@H](C)[NH3+])c1C ZINC000841766087 617145645 /nfs/dbraw/zinc/14/56/45/617145645.db2.gz ZDEVVEDMMOLDQT-VIFPVBQESA-N 2 2 266.345 0.853 20 0 CCADLP CO[C@@H](CC[NH2+][C@@H]1C[NH2+]CCOC1)C(F)(F)F ZINC000925644153 617162696 /nfs/dbraw/zinc/16/26/96/617162696.db2.gz INKPYZXAJSHEHC-BDAKNGLRSA-N 2 2 256.268 0.532 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000884470200 617163893 /nfs/dbraw/zinc/16/38/93/617163893.db2.gz HWGLQOICYYNYLF-STQMWFEESA-N 2 2 263.341 0.263 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000884470200 617163894 /nfs/dbraw/zinc/16/38/94/617163894.db2.gz HWGLQOICYYNYLF-STQMWFEESA-N 2 2 263.341 0.263 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2CC[C@H]([NH2+]CCO)[C@H]2C1 ZINC001026324788 625398553 /nfs/dbraw/zinc/39/85/53/625398553.db2.gz QOURXDOHQKCXNG-IHRRRGAJSA-N 2 2 292.383 0.092 20 0 CCADLP CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]12 ZINC001026387483 625423709 /nfs/dbraw/zinc/42/37/09/625423709.db2.gz BESJNRFWQMRXAB-IJLUTSLNSA-N 2 2 262.357 0.799 20 0 CCADLP C[C@H]1[C@H]([NH+](C)C)CCN1CCC[NH+]1CCOCC1 ZINC000931043870 625464056 /nfs/dbraw/zinc/46/40/56/625464056.db2.gz RBHRLVDBRYEIGE-UONOGXRCSA-N 2 2 255.406 0.733 20 0 CCADLP Cc1cc(N)nc(N2CC[NH+](CC(C)(C)O)CC2)[nH+]1 ZINC000892270959 622746043 /nfs/dbraw/zinc/74/60/43/622746043.db2.gz MXIQYOFHTQNBNS-UHFFFAOYSA-N 2 2 265.361 0.260 20 0 CCADLP [NH3+][C@H]1C[C@H](CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000892570440 623549907 /nfs/dbraw/zinc/54/99/07/623549907.db2.gz NYROJZRYCKVPNW-YRGRVCCFSA-N 2 2 290.367 0.982 20 0 CCADLP C[C@@H]1[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCS1(=O)=O ZINC000311105145 623640827 /nfs/dbraw/zinc/64/08/27/623640827.db2.gz VCYPZJFBNFFOGZ-JVGWCMFKSA-N 2 2 272.414 0.777 20 0 CCADLP C[C@@H]1[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCS1(=O)=O ZINC000311105145 623640832 /nfs/dbraw/zinc/64/08/32/623640832.db2.gz VCYPZJFBNFFOGZ-JVGWCMFKSA-N 2 2 272.414 0.777 20 0 CCADLP O=C(C[NH+]1CCCC1)N1CC[C@H]([NH2+]Cc2nncs2)C1 ZINC001019775078 623909492 /nfs/dbraw/zinc/90/94/92/623909492.db2.gz VRKUQOATHJRBOG-NSHDSACASA-N 2 2 295.412 0.324 20 0 CCADLP COc1nn(C)cc1C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000902453336 634389715 /nfs/dbraw/zinc/38/97/15/634389715.db2.gz AMMGQCVKMDKOIL-CMPLNLGQSA-N 2 2 268.361 0.285 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC001020637515 624556694 /nfs/dbraw/zinc/55/66/94/624556694.db2.gz WOOGCNJWKNVYBC-AVGNSLFASA-N 2 2 292.383 0.616 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC001020637546 624556852 /nfs/dbraw/zinc/55/68/52/624556852.db2.gz XLHIPPFSDOLCGG-OBJOEFQTSA-N 2 2 292.383 0.758 20 0 CCADLP COC[C@H](O)C[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000306064983 624593684 /nfs/dbraw/zinc/59/36/84/624593684.db2.gz XWVBFSSKEJSAIJ-HZSPNIEDSA-N 2 2 250.342 0.420 20 0 CCADLP COC[C@H](O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000306064983 624593689 /nfs/dbraw/zinc/59/36/89/624593689.db2.gz XWVBFSSKEJSAIJ-HZSPNIEDSA-N 2 2 250.342 0.420 20 0 CCADLP Cn1cncc1C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000970098826 624598535 /nfs/dbraw/zinc/59/85/35/624598535.db2.gz XQQVPNTZTJOVLU-LLVKDONJSA-N 2 2 288.355 0.076 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]([NH2+]CC2CC2)C1 ZINC001020930237 624626361 /nfs/dbraw/zinc/62/63/61/624626361.db2.gz LJQRWJAVEJQAJH-HAQNSBGRSA-N 2 2 262.357 0.609 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000902516735 634401091 /nfs/dbraw/zinc/40/10/91/634401091.db2.gz FQHCZKHFNDHOQZ-ZRJCITRHSA-N 2 2 254.374 0.768 20 0 CCADLP O=C(C[NH+]1CCCC1)N1CC[C@@H]([NH2+]Cc2nncs2)C1 ZINC000970718470 624738676 /nfs/dbraw/zinc/73/86/76/624738676.db2.gz VRKUQOATHJRBOG-LLVKDONJSA-N 2 2 295.412 0.324 20 0 CCADLP C[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000971434547 624853847 /nfs/dbraw/zinc/85/38/47/624853847.db2.gz YTPOURDLEWSWFH-NEPJUHHUSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000971434547 624853848 /nfs/dbraw/zinc/85/38/48/624853848.db2.gz YTPOURDLEWSWFH-NEPJUHHUSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCOCC1 ZINC000891515592 624881066 /nfs/dbraw/zinc/88/10/66/624881066.db2.gz BRROSJXBTAJLJX-RFQIPJPRSA-N 2 2 296.415 0.241 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000234345614 624886682 /nfs/dbraw/zinc/88/66/82/624886682.db2.gz IGKUJMKEROVOGB-RYUDHWBXSA-N 2 2 269.389 0.211 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000234345614 624886684 /nfs/dbraw/zinc/88/66/84/624886684.db2.gz IGKUJMKEROVOGB-RYUDHWBXSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001022286865 624911219 /nfs/dbraw/zinc/91/12/19/624911219.db2.gz XWOPJHBSVZRXND-ZMLRMANQSA-N 2 2 288.351 0.794 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000891820352 624937336 /nfs/dbraw/zinc/93/73/36/624937336.db2.gz XZTHLLSUQCKTLS-GMTAPVOTSA-N 2 2 263.345 0.329 20 0 CCADLP COCCOCCOCC[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000124907107 625727849 /nfs/dbraw/zinc/72/78/49/625727849.db2.gz IXUFJVRMMOHBMT-KBPBESRZSA-N 2 2 274.405 0.868 20 0 CCADLP COCCOCCOCC[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000124907107 625727867 /nfs/dbraw/zinc/72/78/67/625727867.db2.gz IXUFJVRMMOHBMT-KBPBESRZSA-N 2 2 274.405 0.868 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903028406 634528992 /nfs/dbraw/zinc/52/89/92/634528992.db2.gz NYHHNXSXPXABJP-KGLIPLIRSA-N 2 2 291.399 0.420 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903028406 634529003 /nfs/dbraw/zinc/52/90/03/634529003.db2.gz NYHHNXSXPXABJP-KGLIPLIRSA-N 2 2 291.399 0.420 20 0 CCADLP Cc1cc(CN2CC[NH+](C[C@@H]3C[NH2+]C[C@H]3C)CC2)on1 ZINC000903441034 634563741 /nfs/dbraw/zinc/56/37/41/634563741.db2.gz HJWQMMIWYHGDNS-OCCSQVGLSA-N 2 2 278.400 0.956 20 0 CCADLP [NH3+]CC12CC(C1)C[N@@H+]2C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903766843 634643147 /nfs/dbraw/zinc/64/31/47/634643147.db2.gz SKJLMMPQHUOHSZ-DKNRTOFZSA-N 3 2 251.374 0.178 20 0 CCADLP [NH3+]CC12CC(C1)C[N@H+]2C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903766843 634643151 /nfs/dbraw/zinc/64/31/51/634643151.db2.gz SKJLMMPQHUOHSZ-DKNRTOFZSA-N 3 2 251.374 0.178 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903873475 634673270 /nfs/dbraw/zinc/67/32/70/634673270.db2.gz IMEQANUZZCVXRB-RWMBFGLXSA-N 3 2 278.404 0.372 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903873475 634673274 /nfs/dbraw/zinc/67/32/74/634673274.db2.gz IMEQANUZZCVXRB-RWMBFGLXSA-N 3 2 278.404 0.372 20 0 CCADLP [NH3+]C1(C[NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)CCCC1 ZINC000903932354 634692851 /nfs/dbraw/zinc/69/28/51/634692851.db2.gz BMWQKSCBAKALMT-LBPRGKRZSA-N 3 2 278.404 0.564 20 0 CCADLP C[C@H]1CC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCO1 ZINC000903987632 634703469 /nfs/dbraw/zinc/70/34/69/634703469.db2.gz IASPAWFACYJJDA-QWHCGFSZSA-N 2 2 279.388 0.813 20 0 CCADLP C[C@H]1CC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCO1 ZINC000903987632 634703479 /nfs/dbraw/zinc/70/34/79/634703479.db2.gz IASPAWFACYJJDA-QWHCGFSZSA-N 2 2 279.388 0.813 20 0 CCADLP Cc1ccc2[nH+]cc(CN3CCC[C@@]([NH3+])(CO)C3)n2c1 ZINC000904400787 634742134 /nfs/dbraw/zinc/74/21/34/634742134.db2.gz BNXKLCQVYIMOJP-HNNXBMFYSA-N 2 2 274.368 0.928 20 0 CCADLP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)C1 ZINC000904429495 634746414 /nfs/dbraw/zinc/74/64/14/634746414.db2.gz JKKKHEHGSYUNBM-ZBFHGGJFSA-N 3 2 294.443 0.402 20 0 CCADLP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)C1 ZINC000904429495 634746417 /nfs/dbraw/zinc/74/64/17/634746417.db2.gz JKKKHEHGSYUNBM-ZBFHGGJFSA-N 3 2 294.443 0.402 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000905002754 634775850 /nfs/dbraw/zinc/77/58/50/634775850.db2.gz LVNHKFPDVDMRIX-UTUOFQBUSA-N 2 2 265.361 0.426 20 0 CCADLP C[C@](O)(C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(F)F ZINC000905074995 634797676 /nfs/dbraw/zinc/79/76/76/634797676.db2.gz HUXCHWZYSFAUJN-SCVCMEIPSA-N 2 2 264.316 0.455 20 0 CCADLP C[C@](O)(C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(F)F ZINC000905074995 634797680 /nfs/dbraw/zinc/79/76/80/634797680.db2.gz HUXCHWZYSFAUJN-SCVCMEIPSA-N 2 2 264.316 0.455 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[C@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC000980227385 631004864 /nfs/dbraw/zinc/00/48/64/631004864.db2.gz KBWLDGUEMQEAMG-RWMBFGLXSA-N 2 2 292.383 0.161 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[C@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC000980227385 631004870 /nfs/dbraw/zinc/00/48/70/631004870.db2.gz KBWLDGUEMQEAMG-RWMBFGLXSA-N 2 2 292.383 0.161 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCO)C1 ZINC000981485212 631283650 /nfs/dbraw/zinc/28/36/50/631283650.db2.gz HRONJWLAJLDAOG-VXGBXAGGSA-N 2 2 280.372 0.270 20 0 CCADLP COC[C@H](C)[N@@H+]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000981716771 631310086 /nfs/dbraw/zinc/31/00/86/631310086.db2.gz OIEQVRFDBVUUKX-AWEZNQCLSA-N 2 2 294.399 0.842 20 0 CCADLP COC[C@H](C)[N@H+]1CCCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000981716771 631310088 /nfs/dbraw/zinc/31/00/88/631310088.db2.gz OIEQVRFDBVUUKX-AWEZNQCLSA-N 2 2 294.399 0.842 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)CCC[N@H+](CCO)C2 ZINC000982130879 631379179 /nfs/dbraw/zinc/37/91/79/631379179.db2.gz JFTPZAAKFDPLIE-UHFFFAOYSA-N 2 2 292.383 0.177 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)CCC[N@@H+](CCO)C2 ZINC000982130879 631379187 /nfs/dbraw/zinc/37/91/87/631379187.db2.gz JFTPZAAKFDPLIE-UHFFFAOYSA-N 2 2 292.383 0.177 20 0 CCADLP C[C@H]([NH2+]CCCCC[NH+]1CCNCC1)[C@H]1CCC[NH2+]1 ZINC000925842361 631388723 /nfs/dbraw/zinc/38/87/23/631388723.db2.gz MFRXBXYCTTYXGU-LSDHHAIUSA-N 3 2 268.449 0.792 20 0 CCADLP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000925880572 631429608 /nfs/dbraw/zinc/42/96/08/631429608.db2.gz SWHUWDIEWQCLER-ASEORRQLSA-N 3 2 253.390 0.470 20 0 CCADLP OCCC[N@@H+]1CCC[C@H]1CNc1nccn2c[nH+]cc12 ZINC000894021802 631500906 /nfs/dbraw/zinc/50/09/06/631500906.db2.gz IWFOCWNIBJZSJE-LBPRGKRZSA-N 2 2 275.356 0.988 20 0 CCADLP OCCC[N@H+]1CCC[C@H]1CNc1nccn2c[nH+]cc12 ZINC000894021802 631500918 /nfs/dbraw/zinc/50/09/18/631500918.db2.gz IWFOCWNIBJZSJE-LBPRGKRZSA-N 2 2 275.356 0.988 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC000968534106 650018987 /nfs/dbraw/zinc/01/89/87/650018987.db2.gz AJTYWXIWVSEUPG-QWHCGFSZSA-N 2 2 292.383 0.569 20 0 CCADLP C[C@@H]1COC[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000924901826 631610427 /nfs/dbraw/zinc/61/04/27/631610427.db2.gz KOMYNUDEKSXJAY-HZSPNIEDSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1COC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000924901826 631610432 /nfs/dbraw/zinc/61/04/32/631610432.db2.gz KOMYNUDEKSXJAY-HZSPNIEDSA-N 2 2 283.416 0.554 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928087602 631682827 /nfs/dbraw/zinc/68/28/27/631682827.db2.gz CROJPYRHBVOZEP-QWHCGFSZSA-N 2 2 294.424 0.659 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928087602 631682832 /nfs/dbraw/zinc/68/28/32/631682832.db2.gz CROJPYRHBVOZEP-QWHCGFSZSA-N 2 2 294.424 0.659 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928093149 631684189 /nfs/dbraw/zinc/68/41/89/631684189.db2.gz KEDJAGAVVUJGIS-QWHCGFSZSA-N 2 2 294.424 0.969 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928093149 631684199 /nfs/dbraw/zinc/68/41/99/631684199.db2.gz KEDJAGAVVUJGIS-QWHCGFSZSA-N 2 2 294.424 0.969 20 0 CCADLP Cc1cc[nH+]c(N)c1CN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000895134286 631968676 /nfs/dbraw/zinc/96/86/76/631968676.db2.gz ZHSJEWHLJLMATB-UHFFFAOYSA-N 2 2 291.399 0.178 20 0 CCADLP C[C@H](CC[NH2+]Cc1cccc(S(N)(=O)=O)c1)[NH+](C)C ZINC000895289944 632047310 /nfs/dbraw/zinc/04/73/10/632047310.db2.gz AOEZIPPUXHGPGC-LLVKDONJSA-N 2 2 285.413 0.764 20 0 CCADLP c1ncc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)[nH]1 ZINC000895685280 632134659 /nfs/dbraw/zinc/13/46/59/632134659.db2.gz LBMBCLKXZDWEJJ-CQSZACIVSA-N 2 2 293.415 0.296 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCC[NH+](CCCF)C2)C1 ZINC001007000047 632328248 /nfs/dbraw/zinc/32/82/48/632328248.db2.gz IIVBMXKTXYZKFH-STQMWFEESA-N 2 2 287.379 0.257 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[N@H+](CCCF)C2)C1 ZINC001007000047 632328254 /nfs/dbraw/zinc/32/82/54/632328254.db2.gz IIVBMXKTXYZKFH-STQMWFEESA-N 2 2 287.379 0.257 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N[C@H]2CCC[N@@H+](CCCF)C2)C1 ZINC001007000047 632328259 /nfs/dbraw/zinc/32/82/59/632328259.db2.gz IIVBMXKTXYZKFH-STQMWFEESA-N 2 2 287.379 0.257 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H](C[NH2+]Cc2ccccn2)C1 ZINC000985167034 632367649 /nfs/dbraw/zinc/36/76/49/632367649.db2.gz CIXDLYATNQCBAO-CTYIDZIISA-N 2 2 299.378 0.963 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000985550943 632547659 /nfs/dbraw/zinc/54/76/59/632547659.db2.gz WHNSNMSVNFYZKD-UHFFFAOYSA-N 2 2 294.399 0.268 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000985550943 632547662 /nfs/dbraw/zinc/54/76/62/632547662.db2.gz WHNSNMSVNFYZKD-UHFFFAOYSA-N 2 2 294.399 0.268 20 0 CCADLP O=C(N[C@H]1CCC[N@@H+](CCO)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001007708305 650088425 /nfs/dbraw/zinc/08/84/25/650088425.db2.gz VSMKXXLKQIRAQE-OLZOCXBDSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(N[C@H]1CCC[N@H+](CCO)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001007708305 650088427 /nfs/dbraw/zinc/08/84/27/650088427.db2.gz VSMKXXLKQIRAQE-OLZOCXBDSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(N[C@H]1CCC[N@@H+](CCO)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001007703444 650088467 /nfs/dbraw/zinc/08/84/67/650088467.db2.gz GVAACDRVPGIMRZ-OLZOCXBDSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(N[C@H]1CCC[N@H+](CCO)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001007703444 650088470 /nfs/dbraw/zinc/08/84/70/650088470.db2.gz GVAACDRVPGIMRZ-OLZOCXBDSA-N 2 2 292.383 0.018 20 0 CCADLP CCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC000987264009 632850110 /nfs/dbraw/zinc/85/01/10/632850110.db2.gz CIAPWRRCLFMBLH-QWRGUYRKSA-N 2 2 250.346 0.941 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000237465096 633107801 /nfs/dbraw/zinc/10/78/01/633107801.db2.gz CFDPRMHJQOTCKG-FRRDWIJNSA-N 2 2 269.389 0.341 20 0 CCADLP C[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCF)C2)CC1 ZINC001008407104 650112989 /nfs/dbraw/zinc/11/29/89/650112989.db2.gz QBFQXTWCWPMKDZ-ZDUSSCGKSA-N 2 2 271.380 0.878 20 0 CCADLP C[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)CC1 ZINC001008407104 650112991 /nfs/dbraw/zinc/11/29/91/650112991.db2.gz QBFQXTWCWPMKDZ-ZDUSSCGKSA-N 2 2 271.380 0.878 20 0 CCADLP OC1(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)CCC1 ZINC000905449327 634863582 /nfs/dbraw/zinc/86/35/82/634863582.db2.gz ZYGDJLFQNYDTQN-HNNXBMFYSA-N 2 2 297.443 0.288 20 0 CCADLP CC[N@@H+]1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000989486040 633315548 /nfs/dbraw/zinc/31/55/48/633315548.db2.gz DDTNSROCAHAASW-UHFFFAOYSA-N 2 2 250.346 0.517 20 0 CCADLP CC[N@H+]1CCCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000989486040 633315551 /nfs/dbraw/zinc/31/55/51/633315551.db2.gz DDTNSROCAHAASW-UHFFFAOYSA-N 2 2 250.346 0.517 20 0 CCADLP CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000989491397 633317971 /nfs/dbraw/zinc/31/79/71/633317971.db2.gz GGEDGRQWXDPOTM-CMPLNLGQSA-N 2 2 250.346 0.941 20 0 CCADLP CC(C)[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000989493077 633319210 /nfs/dbraw/zinc/31/92/10/633319210.db2.gz QWHRVGAVTLXBHB-JQWIXIFHSA-N 2 2 250.346 0.940 20 0 CCADLP CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC000989680445 633344897 /nfs/dbraw/zinc/34/48/97/633344897.db2.gz ROLVIIFNMMIZEO-WDEREUQCSA-N 2 2 250.346 0.562 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC([NH+]2CCCC2)C1 ZINC000898600799 633630333 /nfs/dbraw/zinc/63/03/33/633630333.db2.gz FXODMWDGRDCVBD-CHWSQXEVSA-N 2 2 274.368 0.830 20 0 CCADLP C[C@H](C(=O)N[C@H](CO)c1c[nH+]cn1C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000898883855 633680848 /nfs/dbraw/zinc/68/08/48/633680848.db2.gz MLOKLNQUWUVGHR-YVECIDJPSA-N 2 2 294.399 0.831 20 0 CCADLP C[C@H](C(=O)N[C@H](CO)c1c[nH+]cn1C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000898883855 633680852 /nfs/dbraw/zinc/68/08/52/633680852.db2.gz MLOKLNQUWUVGHR-YVECIDJPSA-N 2 2 294.399 0.831 20 0 CCADLP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccnnc1 ZINC000924754712 633806496 /nfs/dbraw/zinc/80/64/96/633806496.db2.gz GVKAPEISCTTXGV-DGCLKSJQSA-N 2 2 250.346 0.584 20 0 CCADLP COCC[N@H+](C)Cc1cn(C[C@H]2CCCC[NH2+]C2)nn1 ZINC000899739858 633881314 /nfs/dbraw/zinc/88/13/14/633881314.db2.gz ADUDKCUVRIJIAF-ZDUSSCGKSA-N 2 2 281.404 0.746 20 0 CCADLP COCC[N@@H+](C)Cc1cn(C[C@H]2CCCC[NH2+]C2)nn1 ZINC000899739858 633881321 /nfs/dbraw/zinc/88/13/21/633881321.db2.gz ADUDKCUVRIJIAF-ZDUSSCGKSA-N 2 2 281.404 0.746 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000900599394 634051386 /nfs/dbraw/zinc/05/13/86/634051386.db2.gz CIRLBIBJJKDDGB-CHWSQXEVSA-N 2 2 278.356 0.010 20 0 CCADLP Nc1ccc(Cn2cc([C@H]3CCC[NH2+]C3)nn2)c[nH+]1 ZINC000905815547 634911558 /nfs/dbraw/zinc/91/15/58/634911558.db2.gz JZRPNTDKONYDJK-NSHDSACASA-N 2 2 258.329 0.771 20 0 CCADLP O[C@H](C[NH2+]CCCn1cc[nH+]c1)C1(O)CCCC1 ZINC000905869948 634916127 /nfs/dbraw/zinc/91/61/27/634916127.db2.gz KZOGNDRGBYZKCV-GFCCVEGCSA-N 2 2 253.346 0.529 20 0 CCADLP [NH3+][C@@H](CNC(=O)C[C@@H]([NH3+])C(F)F)c1ccccc1 ZINC000911765805 636370647 /nfs/dbraw/zinc/37/06/47/636370647.db2.gz AJRGZSRZVBYTOI-ZJUUUORDSA-N 2 2 257.284 0.785 20 0 CCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912904783 636707428 /nfs/dbraw/zinc/70/74/28/636707428.db2.gz TWDREDRMFLNGMS-STQMWFEESA-N 2 2 274.368 0.752 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)CCO1 ZINC000225888919 636957993 /nfs/dbraw/zinc/95/79/93/636957993.db2.gz DBVTVGHGGYAYIU-KFWWJZLASA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)CCO1 ZINC000225888919 636957998 /nfs/dbraw/zinc/95/79/98/636957998.db2.gz DBVTVGHGGYAYIU-KFWWJZLASA-N 2 2 295.427 0.698 20 0 CCADLP CCS(=O)(=O)CC[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000062071777 637150246 /nfs/dbraw/zinc/15/02/46/637150246.db2.gz MRDLNYRQVZMNDB-LBPRGKRZSA-N 2 2 262.419 0.743 20 0 CCADLP C[C@@H](CNC(=O)NCC1([NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000914067557 637500666 /nfs/dbraw/zinc/50/06/66/637500666.db2.gz VXXMHKJVKAEDOQ-LBPRGKRZSA-N 2 2 284.404 0.101 20 0 CCADLP Cc1c(C(=O)N2CC[NH+](CCO)CC2)ccc2c[nH+]cn21 ZINC000949019031 638068642 /nfs/dbraw/zinc/06/86/42/638068642.db2.gz DBHHVOKFYWCJHI-UHFFFAOYSA-N 2 2 288.351 0.393 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CCO)CC1(C)C ZINC000941186358 638517512 /nfs/dbraw/zinc/51/75/12/638517512.db2.gz IPKYGFMNBOSERY-CYBMUJFWSA-N 2 2 294.399 0.470 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CCO)CC1(C)C ZINC000941186358 638517525 /nfs/dbraw/zinc/51/75/25/638517525.db2.gz IPKYGFMNBOSERY-CYBMUJFWSA-N 2 2 294.399 0.470 20 0 CCADLP COC(C[N@H+](CCCO)CC[C@@H]1CCC[NH+]1C)OC ZINC000183665920 638596554 /nfs/dbraw/zinc/59/65/54/638596554.db2.gz BJZFZSJQNSLCNM-ZDUSSCGKSA-N 2 2 274.405 0.774 20 0 CCADLP COC(C[N@@H+](CCCO)CC[C@@H]1CCC[NH+]1C)OC ZINC000183665920 638596560 /nfs/dbraw/zinc/59/65/60/638596560.db2.gz BJZFZSJQNSLCNM-ZDUSSCGKSA-N 2 2 274.405 0.774 20 0 CCADLP COC(C[NH+](CCCO)CC[C@@H]1CCC[N@@H+]1C)OC ZINC000183665920 638596566 /nfs/dbraw/zinc/59/65/66/638596566.db2.gz BJZFZSJQNSLCNM-ZDUSSCGKSA-N 2 2 274.405 0.774 20 0 CCADLP COC(C[NH+](CCCO)CC[C@@H]1CCC[N@H+]1C)OC ZINC000183665920 638596569 /nfs/dbraw/zinc/59/65/69/638596569.db2.gz BJZFZSJQNSLCNM-ZDUSSCGKSA-N 2 2 274.405 0.774 20 0 CCADLP C[C@H]1C[N@H+](CCCO)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943174135 638709062 /nfs/dbraw/zinc/70/90/62/638709062.db2.gz BTIBPNOCHISKKV-WCQYABFASA-N 2 2 280.372 0.161 20 0 CCADLP C[C@H]1C[N@@H+](CCCO)CC[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC000943174135 638709069 /nfs/dbraw/zinc/70/90/69/638709069.db2.gz BTIBPNOCHISKKV-WCQYABFASA-N 2 2 280.372 0.161 20 0 CCADLP C[C@H]1C[N@H+](CCCO)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944154135 638763574 /nfs/dbraw/zinc/76/35/74/638763574.db2.gz KHYLEEPUKFUSEY-GXTWGEPZSA-N 2 2 294.399 0.172 20 0 CCADLP C[C@H]1C[N@@H+](CCCO)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944154135 638763575 /nfs/dbraw/zinc/76/35/75/638763575.db2.gz KHYLEEPUKFUSEY-GXTWGEPZSA-N 2 2 294.399 0.172 20 0 CCADLP CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC([NH2+]CCO)C1 ZINC000999013820 638954151 /nfs/dbraw/zinc/95/41/51/638954151.db2.gz XMBHUSUWXUXPMQ-HIFPTAJRSA-N 2 2 292.383 0.017 20 0 CCADLP CN(C(=O)Cc1c[nH+]c[nH]1)C1CC([NH2+]CC2CC2)C1 ZINC000999470736 638983150 /nfs/dbraw/zinc/98/31/50/638983150.db2.gz WBIAJOYXABSCTF-UHFFFAOYSA-N 2 2 262.357 0.941 20 0 CCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC[C@@H]([NH2+]CCF)C1 ZINC000999538599 638984646 /nfs/dbraw/zinc/98/46/46/638984646.db2.gz YNIDFFXSMONZBS-QWHCGFSZSA-N 2 2 294.374 0.996 20 0 CCADLP O=c1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc[nH]1 ZINC000921690634 639042496 /nfs/dbraw/zinc/04/24/96/639042496.db2.gz OMLXWPGOVMWKGI-QWHCGFSZSA-N 2 2 263.341 0.740 20 0 CCADLP O=c1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc[nH]1 ZINC000921690634 639042505 /nfs/dbraw/zinc/04/25/05/639042505.db2.gz OMLXWPGOVMWKGI-QWHCGFSZSA-N 2 2 263.341 0.740 20 0 CCADLP O=C(NC1CC[NH+](CCO)CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001003179954 639514950 /nfs/dbraw/zinc/51/49/50/639514950.db2.gz LKTITRMRABZCON-LBPRGKRZSA-N 2 2 292.383 0.018 20 0 CCADLP CO[C@H](C)C[NH+]1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001003701854 639597237 /nfs/dbraw/zinc/59/72/37/639597237.db2.gz YWXLOTBLBJSYFT-LLVKDONJSA-N 2 2 280.372 0.568 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cnn(CCF)c1 ZINC000922289211 639633643 /nfs/dbraw/zinc/63/36/43/639633643.db2.gz XQYOIWUQJYLZKQ-ZDUSSCGKSA-N 2 2 297.378 0.282 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cnn(CCF)c1 ZINC000922289211 639633647 /nfs/dbraw/zinc/63/36/47/639633647.db2.gz XQYOIWUQJYLZKQ-ZDUSSCGKSA-N 2 2 297.378 0.282 20 0 CCADLP COC[C@@H](C)[NH+]1CCC(NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001004055022 639670913 /nfs/dbraw/zinc/67/09/13/639670913.db2.gz GEPCPVPUENCOAA-LLVKDONJSA-N 2 2 294.399 0.876 20 0 CCADLP C[C@H]1[C@@H](NC(=O)NCc2c[nH+]cn2C)CC[N@@H+]1C ZINC000922516114 639713206 /nfs/dbraw/zinc/71/32/06/639713206.db2.gz SRAZIYBKCWMXCB-ONGXEEELSA-N 2 2 251.334 0.312 20 0 CCADLP C[C@H]1[C@@H](NC(=O)NCc2c[nH+]cn2C)CC[N@H+]1C ZINC000922516114 639713213 /nfs/dbraw/zinc/71/32/13/639713213.db2.gz SRAZIYBKCWMXCB-ONGXEEELSA-N 2 2 251.334 0.312 20 0 CCADLP CC[C@H](C[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1)OC ZINC001004257010 639737395 /nfs/dbraw/zinc/73/73/95/639737395.db2.gz HMLZTZPATCTIIQ-CQSZACIVSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NCCc2cn(C)c[nH+]2)CC[N@@H+]1C ZINC000922820366 639799558 /nfs/dbraw/zinc/79/95/58/639799558.db2.gz DLVGWUYPBNEZMT-ZYHUDNBSSA-N 2 2 265.361 0.354 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NCCc2cn(C)c[nH+]2)CC[N@H+]1C ZINC000922820366 639799570 /nfs/dbraw/zinc/79/95/70/639799570.db2.gz DLVGWUYPBNEZMT-ZYHUDNBSSA-N 2 2 265.361 0.354 20 0 CCADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923327724 640080868 /nfs/dbraw/zinc/08/08/68/640080868.db2.gz UQQFAYBRWOBFKZ-XUXIUFHCSA-N 3 2 264.373 0.507 20 0 CCADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H]1C[C@H]([NH3+])C[C@@H]1O ZINC000923327724 640080877 /nfs/dbraw/zinc/08/08/77/640080877.db2.gz UQQFAYBRWOBFKZ-XUXIUFHCSA-N 3 2 264.373 0.507 20 0 CCADLP [NH3+]CC12CCC(CC1)C[N@@H+]2C[C@@H](O)COC1CCOCC1 ZINC000923393663 640118024 /nfs/dbraw/zinc/11/80/24/640118024.db2.gz VPKUJEIRUYUBEE-NPCAHTBFSA-N 2 2 298.427 0.746 20 0 CCADLP [NH3+]CC12CCC(CC1)C[N@H+]2C[C@@H](O)COC1CCOCC1 ZINC000923393663 640118028 /nfs/dbraw/zinc/11/80/28/640118028.db2.gz VPKUJEIRUYUBEE-NPCAHTBFSA-N 2 2 298.427 0.746 20 0 CCADLP [NH3+]C[C@H]1CCCC[N@@H+]1C[C@H](O)COC[C@H]1CCCO1 ZINC000923414587 640129861 /nfs/dbraw/zinc/12/98/61/640129861.db2.gz MOTMWSUOZLZGNL-HZSPNIEDSA-N 2 2 272.389 0.356 20 0 CCADLP [NH3+]C[C@H]1CCCC[N@H+]1C[C@H](O)COC[C@H]1CCCO1 ZINC000923414587 640129868 /nfs/dbraw/zinc/12/98/68/640129868.db2.gz MOTMWSUOZLZGNL-HZSPNIEDSA-N 2 2 272.389 0.356 20 0 CCADLP C[C@H]1C[N@H+](Cc2nc(C(C)(C)[NH3+])no2)CC[C@H]1C[NH3+] ZINC000923505872 640171914 /nfs/dbraw/zinc/17/19/14/640171914.db2.gz CTSCJVJMTCGTSQ-UWVGGRQHSA-N 3 2 267.377 0.680 20 0 CCADLP C[C@H]1C[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)CC[C@H]1C[NH3+] ZINC000923505872 640171917 /nfs/dbraw/zinc/17/19/17/640171917.db2.gz CTSCJVJMTCGTSQ-UWVGGRQHSA-N 3 2 267.377 0.680 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@H+](CCO)C[C@H]2CC1 ZINC000946911265 640172899 /nfs/dbraw/zinc/17/28/99/640172899.db2.gz LAVCPJMAZIKBFV-OKILXGFUSA-N 2 2 292.383 0.046 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](CCO)C[C@H]2CC1 ZINC000946911265 640172909 /nfs/dbraw/zinc/17/29/09/640172909.db2.gz LAVCPJMAZIKBFV-OKILXGFUSA-N 2 2 292.383 0.046 20 0 CCADLP COC[C@@H](C)[NH+]1CCC(N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001006191973 640199595 /nfs/dbraw/zinc/19/95/95/640199595.db2.gz JJFZIOXXHAGQON-GFCCVEGCSA-N 2 2 294.399 0.910 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000805754653 640433044 /nfs/dbraw/zinc/43/30/44/640433044.db2.gz YQXJMZSQIDZXFI-GDBMZVCRSA-N 2 2 291.395 0.991 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000805754653 640433045 /nfs/dbraw/zinc/43/30/45/640433045.db2.gz YQXJMZSQIDZXFI-GDBMZVCRSA-N 2 2 291.395 0.991 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC(C2(C)OCCO2)CC1)C1CC1 ZINC000809963991 640916073 /nfs/dbraw/zinc/91/60/73/640916073.db2.gz BQTWFDPZWRXUET-HNNXBMFYSA-N 2 2 298.427 0.917 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(C2(C)OCCO2)CC1)C1CC1 ZINC000809963991 640916077 /nfs/dbraw/zinc/91/60/77/640916077.db2.gz BQTWFDPZWRXUET-HNNXBMFYSA-N 2 2 298.427 0.917 20 0 CCADLP Cc1cnn([C@@H]2CC[N@H+](C[C@H](O)C[NH+]3CCCC3)C2)c1 ZINC000810121777 640926067 /nfs/dbraw/zinc/92/60/67/640926067.db2.gz QQIOFRCLFHIYNO-HUUCEWRRSA-N 2 2 278.400 0.895 20 0 CCADLP Cc1cnn([C@@H]2CC[N@@H+](C[C@H](O)C[NH+]3CCCC3)C2)c1 ZINC000810121777 640926068 /nfs/dbraw/zinc/92/60/68/640926068.db2.gz QQIOFRCLFHIYNO-HUUCEWRRSA-N 2 2 278.400 0.895 20 0 CCADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000813323649 641029371 /nfs/dbraw/zinc/02/93/71/641029371.db2.gz SPKPOJABXNGWKL-SNVBAGLBSA-N 2 2 299.334 0.764 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC2(CC1)OCCCO2)C1CC1 ZINC000815158140 641096728 /nfs/dbraw/zinc/09/67/28/641096728.db2.gz OTEKFTHTSULCQX-CQSZACIVSA-N 2 2 284.400 0.671 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC2(CC1)OCCCO2)C1CC1 ZINC000815158140 641096738 /nfs/dbraw/zinc/09/67/38/641096738.db2.gz OTEKFTHTSULCQX-CQSZACIVSA-N 2 2 284.400 0.671 20 0 CCADLP OCCCCCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000817917751 641279706 /nfs/dbraw/zinc/27/97/06/641279706.db2.gz FHMRNMSOQLJATP-ZIAGYGMSSA-N 2 2 256.390 0.896 20 0 CCADLP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824569320 641832040 /nfs/dbraw/zinc/83/20/40/641832040.db2.gz GXXCBTFXJSLCCL-GXFFZTMASA-N 2 2 290.371 0.440 20 0 CCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(=O)cc[nH]1 ZINC000824826529 641847216 /nfs/dbraw/zinc/84/72/16/641847216.db2.gz KIVODXYHYBTXCZ-LBPRGKRZSA-N 2 2 294.399 0.377 20 0 CCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(=O)cc[nH]1 ZINC000824826529 641847218 /nfs/dbraw/zinc/84/72/18/641847218.db2.gz KIVODXYHYBTXCZ-LBPRGKRZSA-N 2 2 294.399 0.377 20 0 CCADLP CC[C@H](C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1)OC ZINC001016398866 650725619 /nfs/dbraw/zinc/72/56/19/650725619.db2.gz ZGWOKTNMNBXKEW-QWHCGFSZSA-N 2 2 280.372 0.499 20 0 CCADLP CC[C@H](C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)C1)OC ZINC001016398866 650725625 /nfs/dbraw/zinc/72/56/25/650725625.db2.gz ZGWOKTNMNBXKEW-QWHCGFSZSA-N 2 2 280.372 0.499 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC12CC[NH+](CCCO)CC2 ZINC001016995611 650775826 /nfs/dbraw/zinc/77/58/26/650775826.db2.gz TWRXTLQKZZTQAY-CYBMUJFWSA-N 2 2 292.383 0.236 20 0 CCADLP COCC[NH+]1CCC2(C[C@@H]2NC(=O)Cn2cc[nH+]c2)CC1 ZINC001016995959 650776103 /nfs/dbraw/zinc/77/61/03/650776103.db2.gz WUPPQSYIIFHBEJ-ZDUSSCGKSA-N 2 2 292.383 0.500 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844172505 643170261 /nfs/dbraw/zinc/17/02/61/643170261.db2.gz HMEGCUVDGOJXFV-NWDGAFQWSA-N 2 2 266.345 0.156 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000846838223 643461659 /nfs/dbraw/zinc/46/16/59/643461659.db2.gz MIQDLNJQGYUGSP-ZJUUUORDSA-N 2 2 262.313 0.015 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000846838223 643461664 /nfs/dbraw/zinc/46/16/64/643461664.db2.gz MIQDLNJQGYUGSP-ZJUUUORDSA-N 2 2 262.313 0.015 20 0 CCADLP C[C@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)[C@H]1CCC[NH2+]1 ZINC000848723012 643672624 /nfs/dbraw/zinc/67/26/24/643672624.db2.gz ZWJOCEAFYZERCN-ZMLRMANQSA-N 2 2 253.346 0.700 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NCC1([NH3+])CCCC1 ZINC000851660129 643865906 /nfs/dbraw/zinc/86/59/06/643865906.db2.gz DHXUSMGZKVLKOU-UHFFFAOYSA-N 2 2 251.334 0.491 20 0 CCADLP O=C1CC[C@H](C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)O1 ZINC000852008460 643915095 /nfs/dbraw/zinc/91/50/95/643915095.db2.gz GMYMXNRLVAPART-ZIAGYGMSSA-N 2 2 282.384 0.879 20 0 CCADLP O=C1CC[C@H](C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)O1 ZINC000852008460 643915096 /nfs/dbraw/zinc/91/50/96/643915096.db2.gz GMYMXNRLVAPART-ZIAGYGMSSA-N 2 2 282.384 0.879 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)c2cccc(C[NH3+])c2)[C@H](C)CO1 ZINC000852847001 644020711 /nfs/dbraw/zinc/02/07/11/644020711.db2.gz MSKXCSGPAJSXCX-CHWSQXEVSA-N 2 2 291.395 0.984 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)c2cccc(C[NH3+])c2)[C@H](C)CO1 ZINC000852847001 644020715 /nfs/dbraw/zinc/02/07/15/644020715.db2.gz MSKXCSGPAJSXCX-CHWSQXEVSA-N 2 2 291.395 0.984 20 0 CCADLP [NH3+]C[C@@H]1CC(C(=O)Nc2ccc3[nH+]ccn3c2)=NO1 ZINC000852868312 644032515 /nfs/dbraw/zinc/03/25/15/644032515.db2.gz DHRUQENWQQWSRO-VIFPVBQESA-N 2 2 259.269 0.376 20 0 CCADLP O[C@@H](C[NH2+]C[C@H](O)c1ccccn1)C[NH+]1CCCC1 ZINC000853108606 644075421 /nfs/dbraw/zinc/07/54/21/644075421.db2.gz INHNUGBZBOVTHT-JSGCOSHPSA-N 2 2 265.357 0.161 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)CN1CC[NH+](C)CC1 ZINC000925488391 644241594 /nfs/dbraw/zinc/24/15/94/644241594.db2.gz CFBCQWZQJHRJAS-HUUCEWRRSA-N 3 2 280.460 0.744 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CCC[NH2+][C@@H]1C)CN1CC[NH+](C)CC1 ZINC000925490210 644418620 /nfs/dbraw/zinc/41/86/20/644418620.db2.gz MCZCAMXNZYOGRU-RBSFLKMASA-N 3 2 268.449 0.600 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000857107750 644468462 /nfs/dbraw/zinc/46/84/62/644468462.db2.gz GOHJXKCMHAAUCN-XQQFMLRXSA-N 2 2 284.404 0.228 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCC[C@H](C)[NH3+] ZINC000857107803 644468473 /nfs/dbraw/zinc/46/84/73/644468473.db2.gz IKBVQKZUOBGYFS-NWDGAFQWSA-N 2 2 272.393 0.086 20 0 CCADLP NC(=O)COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000857229807 644485502 /nfs/dbraw/zinc/48/55/02/644485502.db2.gz HOKFTHDWRVOKKU-XJKSGUPXSA-N 2 2 289.379 0.864 20 0 CCADLP NC(=O)COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC000857229807 644485505 /nfs/dbraw/zinc/48/55/05/644485505.db2.gz HOKFTHDWRVOKKU-XJKSGUPXSA-N 2 2 289.379 0.864 20 0 CCADLP C[NH+](C)C1(C(=O)N2CC[C@H]([NH2+]Cc3cnon3)C2)CCC1 ZINC001018963552 650925554 /nfs/dbraw/zinc/92/55/54/650925554.db2.gz QKEHZAGBRWDMSM-NSHDSACASA-N 2 2 293.371 0.244 20 0 CCADLP CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2nncs2)C1)[NH+](C)C ZINC001019032092 650931925 /nfs/dbraw/zinc/93/19/25/650931925.db2.gz FMDVGLURQKBBJF-WDEREUQCSA-N 2 2 297.428 0.569 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001019060754 650934928 /nfs/dbraw/zinc/93/49/28/650934928.db2.gz FIANQJRFMKHEAQ-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP Cc1cc(CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])cc(C)[nH+]1 ZINC000861782934 644929966 /nfs/dbraw/zinc/92/99/66/644929966.db2.gz OSWDXQXYXOJDII-SECBINFHSA-N 2 2 278.356 0.120 20 0 CCADLP Cc1ccc([C@@H](O)C[NH2+]C[C@@H](O)C[NH+]2CCCC2)o1 ZINC000863560898 645107026 /nfs/dbraw/zinc/10/70/26/645107026.db2.gz AZBQAHLCYYSGBH-OLZOCXBDSA-N 2 2 268.357 0.668 20 0 CCADLP Cn1nccc1C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001019564177 650988574 /nfs/dbraw/zinc/98/85/74/650988574.db2.gz BPXXQVYLNFJNRN-NSHDSACASA-N 2 2 288.355 0.076 20 0 CCADLP O=C(/C=C\C[NH+]1CCOCC1)NC1CC[NH+](C2CC2)CC1 ZINC000864665471 645262499 /nfs/dbraw/zinc/26/24/99/645262499.db2.gz JPZHEPLSPGNFKF-UPHRSURJSA-N 2 2 293.411 0.618 20 0 CCADLP CCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001019654976 650996060 /nfs/dbraw/zinc/99/60/60/650996060.db2.gz HJPYCQSWGCUILC-NSHDSACASA-N 2 2 250.346 0.563 20 0 CCADLP C[C@@H]1CCCC[N@@H+]1CCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864879631 645299656 /nfs/dbraw/zinc/29/96/56/645299656.db2.gz MIOLRBAIFAKFGD-CSPWOOARSA-N 2 2 295.427 0.865 20 0 CCADLP C[C@@H]1CCCC[N@H+]1CCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864879631 645299663 /nfs/dbraw/zinc/29/96/63/645299663.db2.gz MIOLRBAIFAKFGD-CSPWOOARSA-N 2 2 295.427 0.865 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]([NH2+]CCC2CC2)C1 ZINC001019867776 651011060 /nfs/dbraw/zinc/01/10/60/651011060.db2.gz JXFPFJXLRVYEDB-ZDUSSCGKSA-N 2 2 262.357 0.874 20 0 CCADLP CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001020314474 651059204 /nfs/dbraw/zinc/05/92/04/651059204.db2.gz QNAACJXLXZXFSV-SRVKXCTJSA-N 2 2 262.357 0.702 20 0 CCADLP O=C(CC[NH2+]CC1CC1)NCCNc1cccc[nH+]1 ZINC000870861906 646028769 /nfs/dbraw/zinc/02/87/69/646028769.db2.gz YDBWAEVIHNQLKY-UHFFFAOYSA-N 2 2 262.357 0.999 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000871599738 646157190 /nfs/dbraw/zinc/15/71/90/646157190.db2.gz BWNIMMHGOJWBOO-MBNYWOFBSA-N 2 2 277.372 0.523 20 0 CCADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+]([C@@H]1CCN(CC(F)(F)F)C1=O)C2 ZINC000872154330 646215750 /nfs/dbraw/zinc/21/57/50/646215750.db2.gz WQCPQXIIXRLCBB-HOSYDEDBSA-N 2 2 291.317 0.691 20 0 CCADLP C[C@]12C[NH2+]C[C@H]1C[N@H+]([C@@H]1CCN(CC(F)(F)F)C1=O)C2 ZINC000872154330 646215760 /nfs/dbraw/zinc/21/57/60/646215760.db2.gz WQCPQXIIXRLCBB-HOSYDEDBSA-N 2 2 291.317 0.691 20 0 CCADLP C[C@@H]1CN(Cc2cc3c(s2)CC[NH2+]C3)CC[N@@H+]1CCO ZINC000873209206 646358666 /nfs/dbraw/zinc/35/86/66/646358666.db2.gz JRXFNVLLRGOVRW-GFCCVEGCSA-N 2 2 295.452 0.892 20 0 CCADLP C[C@@H]1CN(Cc2cc3c(s2)CC[NH2+]C3)CC[N@H+]1CCO ZINC000873209206 646358671 /nfs/dbraw/zinc/35/86/71/646358671.db2.gz JRXFNVLLRGOVRW-GFCCVEGCSA-N 2 2 295.452 0.892 20 0 CCADLP [NH3+]Cc1cn(-c2cccc(C[NH2+][C@@H]3CCC[C@H]3[NH3+])c2)nn1 ZINC000873243037 646364356 /nfs/dbraw/zinc/36/43/56/646364356.db2.gz ITJKTGLAOZKNMV-HUUCEWRRSA-N 3 2 286.383 0.695 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873271419 646368775 /nfs/dbraw/zinc/36/87/75/646368775.db2.gz IBAAKTUQRSCRFQ-OBJOEFQTSA-N 3 2 255.406 0.731 20 0 CCADLP C[C@@H]1CN(C(=O)NCc2c[nH+]cn2C)[C@@H](C)C[N@@H+]1CCO ZINC000876305408 646595833 /nfs/dbraw/zinc/59/58/33/646595833.db2.gz HVAFXGMSXPWJGL-NEPJUHHUSA-N 2 2 295.387 0.017 20 0 CCADLP C[C@@H]1CN(C(=O)NCc2c[nH+]cn2C)[C@@H](C)C[N@H+]1CCO ZINC000876305408 646595838 /nfs/dbraw/zinc/59/58/38/646595838.db2.gz HVAFXGMSXPWJGL-NEPJUHHUSA-N 2 2 295.387 0.017 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@H](F)[C@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000876755695 646657912 /nfs/dbraw/zinc/65/79/12/646657912.db2.gz LXSOXPQYWPNUPL-QNWHQSFQSA-N 2 2 287.379 0.159 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000876866552 646685842 /nfs/dbraw/zinc/68/58/42/646685842.db2.gz URSMDKIVOXEKHT-SECBINFHSA-N 2 2 258.272 0.374 20 0 CCADLP O=C(/C=C\C[NH+]1CCOCC1)NCCC[C@@H]1CCC[NH2+]1 ZINC000876867155 646686014 /nfs/dbraw/zinc/68/60/14/646686014.db2.gz BFUCIPDIFWWUHS-XSHSDMCLSA-N 2 2 281.400 0.523 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876961103 646708250 /nfs/dbraw/zinc/70/82/50/646708250.db2.gz QDFQFXZUBSJDQE-RCWTZXSCSA-N 2 2 291.342 0.052 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876961103 646708256 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O=C(c1n[nH]c2c1C[NH2+]CC2)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000877267252 646773039 /nfs/dbraw/zinc/77/30/39/646773039.db2.gz ZOJUHDQMDYULNA-ZWNOBZJWSA-N 2 2 289.383 0.270 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000877432529 646814168 /nfs/dbraw/zinc/81/41/68/646814168.db2.gz FIUXXVIJQNCFMR-TZMCWYRMSA-N 2 2 271.405 0.731 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000877432529 646814171 /nfs/dbraw/zinc/81/41/71/646814171.db2.gz FIUXXVIJQNCFMR-TZMCWYRMSA-N 2 2 271.405 0.731 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C)CC2)[C@@H](C)[C@H](C)O1 ZINC000878481124 646916529 /nfs/dbraw/zinc/91/65/29/646916529.db2.gz ADDGPCLGAKFHQQ-AGIUHOORSA-N 2 2 283.416 0.695 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C)CC2)[C@@H](C)[C@H](C)O1 ZINC000878481124 646916534 /nfs/dbraw/zinc/91/65/34/646916534.db2.gz ADDGPCLGAKFHQQ-AGIUHOORSA-N 2 2 283.416 0.695 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)NC2CC[NH+](C)CC2)C[C@@H](C2CC2)O1 ZINC000878533995 646931506 /nfs/dbraw/zinc/93/15/06/646931506.db2.gz CPDJTDJJCPUOPV-WFASDCNBSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C[C@@H](C2CC2)O1 ZINC000878533995 646931512 /nfs/dbraw/zinc/93/15/12/646931512.db2.gz CPDJTDJJCPUOPV-WFASDCNBSA-N 2 2 295.427 0.696 20 0 CCADLP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3CN(C4CC4)C(=O)O3)CC[C@@H]21 ZINC000879580801 647077172 /nfs/dbraw/zinc/07/71/72/647077172.db2.gz UVBAMZFTOPIOAI-BNOWGMLFSA-N 2 2 279.384 0.996 20 0 CCADLP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CN(C4CC4)C(=O)O3)CC[C@@H]21 ZINC000879580801 647077177 /nfs/dbraw/zinc/07/71/77/647077177.db2.gz UVBAMZFTOPIOAI-BNOWGMLFSA-N 2 2 279.384 0.996 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CN(C4CC4)C(=O)O3)CC[C@@H]21 ZINC000879580801 647077185 /nfs/dbraw/zinc/07/71/85/647077185.db2.gz UVBAMZFTOPIOAI-BNOWGMLFSA-N 2 2 279.384 0.996 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CN(C4CC4)C(=O)O3)CC[C@@H]21 ZINC000879580801 647077192 /nfs/dbraw/zinc/07/71/92/647077192.db2.gz UVBAMZFTOPIOAI-BNOWGMLFSA-N 2 2 279.384 0.996 20 0 CCADLP O=S1(=O)C[C@@H]2CC[N@H+](CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC000879938553 647130686 /nfs/dbraw/zinc/13/06/86/647130686.db2.gz DHMRJFRNHCXLDK-QWHCGFSZSA-N 2 2 283.397 0.640 20 0 CCADLP O=S1(=O)C[C@@H]2CC[N@@H+](CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC000879938553 647130690 /nfs/dbraw/zinc/13/06/90/647130690.db2.gz DHMRJFRNHCXLDK-QWHCGFSZSA-N 2 2 283.397 0.640 20 0 CCADLP O=c1oc2ccc(C[NH2+]C[C@H](O)C[NH+]3CCCC3)cc2o1 ZINC000882916443 647458489 /nfs/dbraw/zinc/45/84/89/647458489.db2.gz OXHIZRVJVKBAEM-LBPRGKRZSA-N 2 2 292.335 0.932 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001006339730 647570868 /nfs/dbraw/zinc/57/08/68/647570868.db2.gz MJZCGLDZOOVDCR-LLVKDONJSA-N 2 2 294.399 0.564 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N2CC[NH2+][C@@H](C)C2)c[nH+]1 ZINC000884031317 647618141 /nfs/dbraw/zinc/61/81/41/647618141.db2.gz MUTISOHKGXKLDU-JTQLQIEISA-N 2 2 250.346 0.747 20 0 CCADLP Cc1nc(N2CCN(c3cc[nH+]cc3)C[C@@H]2C)nc(N)[nH+]1 ZINC000884853344 647809497 /nfs/dbraw/zinc/80/94/97/647809497.db2.gz LUVPUURGXVGBTM-JTQLQIEISA-N 2 2 285.355 0.872 20 0 CCADLP C[C@@](O)(C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)C(F)F ZINC000886173120 647912719 /nfs/dbraw/zinc/91/27/19/647912719.db2.gz HDIJGIIXOKWVLU-LLVKDONJSA-N 2 2 260.288 0.548 20 0 CCADLP O=S1(=O)CC[C@H](C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000886873895 648027852 /nfs/dbraw/zinc/02/78/52/648027852.db2.gz AEDBAXXLEAJZAB-ZIAGYGMSSA-N 2 2 286.441 0.887 20 0 CCADLP O=S1(=O)CC[C@H](C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000886873895 648027858 /nfs/dbraw/zinc/02/78/58/648027858.db2.gz AEDBAXXLEAJZAB-ZIAGYGMSSA-N 2 2 286.441 0.887 20 0 CCADLP [NH3+]CCn1cc(-c2csc(Cn3cc[nH+]c3)n2)nn1 ZINC000887531224 648124395 /nfs/dbraw/zinc/12/43/95/648124395.db2.gz GEEQEQYOFAABOO-UHFFFAOYSA-N 2 2 275.341 0.605 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC000925322139 648414670 /nfs/dbraw/zinc/41/46/70/648414670.db2.gz DHUPKUJJJUYFDO-MGPQQGTHSA-N 2 2 296.415 0.195 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC[N@H+]1C ZINC000925322139 648414674 /nfs/dbraw/zinc/41/46/74/648414674.db2.gz DHUPKUJJJUYFDO-MGPQQGTHSA-N 2 2 296.415 0.195 20 0 CCADLP C[N@@H+]1CC[C@@H]1CNC(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000925418697 648432419 /nfs/dbraw/zinc/43/24/19/648432419.db2.gz WLPHARNTPNUMGF-VXGBXAGGSA-N 2 2 277.372 0.449 20 0 CCADLP C[N@H+]1CC[C@@H]1CNC(=O)NC[C@H]1CCc2[nH+]ccn2C1 ZINC000925418697 648432423 /nfs/dbraw/zinc/43/24/23/648432423.db2.gz WLPHARNTPNUMGF-VXGBXAGGSA-N 2 2 277.372 0.449 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000925609276 648447052 /nfs/dbraw/zinc/44/70/52/648447052.db2.gz RRSJZPZCDMQNDH-LSDHHAIUSA-N 3 2 268.449 0.744 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000925609276 648447056 /nfs/dbraw/zinc/44/70/56/648447056.db2.gz RRSJZPZCDMQNDH-LSDHHAIUSA-N 3 2 268.449 0.744 20 0 CCADLP c1cnnc(N2CCC([NH2+][C@H]3C[NH2+]CCOC3)CC2)c1 ZINC000925651410 648450982 /nfs/dbraw/zinc/45/09/82/648450982.db2.gz BZOJBDZDQDZFHY-ZDUSSCGKSA-N 2 2 277.372 0.023 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cn(C2CC2)c(=O)[nH]c1=O ZINC000925766854 648459225 /nfs/dbraw/zinc/45/92/25/648459225.db2.gz SOGKFYKYDGSEPO-MNOVXSKESA-N 2 2 264.329 0.253 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925846443 648466224 /nfs/dbraw/zinc/46/62/24/648466224.db2.gz NHJWHDNPHAWQIW-HZPDHXFCSA-N 3 2 298.475 0.419 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCOC1CCOCC1 ZINC000925877605 648467915 /nfs/dbraw/zinc/46/79/15/648467915.db2.gz KICYXEQAUMKUSB-STQMWFEESA-N 2 2 272.389 0.539 20 0 CCADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)C(C)(C)CO ZINC000926500850 648507186 /nfs/dbraw/zinc/50/71/86/648507186.db2.gz HKWHRHOBFUDULJ-CHWSQXEVSA-N 2 2 258.406 0.830 20 0 CCADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)C(C)(C)CO ZINC000926500850 648507188 /nfs/dbraw/zinc/50/71/88/648507188.db2.gz HKWHRHOBFUDULJ-CHWSQXEVSA-N 2 2 258.406 0.830 20 0 CCADLP C[C@@H]1[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC[N@@H+]1C ZINC000928438219 648633764 /nfs/dbraw/zinc/63/37/64/648633764.db2.gz YRNZJAOQMOFIJD-NTZNESFSSA-N 2 2 262.357 0.654 20 0 CCADLP C[C@@H]1[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC[N@H+]1C ZINC000928438219 648633766 /nfs/dbraw/zinc/63/37/66/648633766.db2.gz YRNZJAOQMOFIJD-NTZNESFSSA-N 2 2 262.357 0.654 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](C[C@H]2CCC3(COC3)O2)CC1 ZINC000930067315 648817902 /nfs/dbraw/zinc/81/79/02/648817902.db2.gz LONMHYGFVWNUGH-CYBMUJFWSA-N 2 2 292.383 0.490 20 0 CCADLP Cc1[nH]c(CN2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)c(C)[nH+]1 ZINC000930742713 648899037 /nfs/dbraw/zinc/89/90/37/648899037.db2.gz ITNRWWFZBWOWLJ-QWRGUYRKSA-N 2 2 266.389 0.913 20 0 CCADLP Cc1[nH]c(CN2C[C@H](C)[N@H+](CCO)C[C@@H]2C)c(C)[nH+]1 ZINC000930742713 648899040 /nfs/dbraw/zinc/89/90/40/648899040.db2.gz ITNRWWFZBWOWLJ-QWRGUYRKSA-N 2 2 266.389 0.913 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931304035 648976861 /nfs/dbraw/zinc/97/68/61/648976861.db2.gz KBKPIXRRTVNYFO-BNOWGMLFSA-N 2 2 253.390 0.737 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931304035 648976866 /nfs/dbraw/zinc/97/68/66/648976866.db2.gz KBKPIXRRTVNYFO-BNOWGMLFSA-N 2 2 253.390 0.737 20 0 CCADLP C[C@H](C(=O)N(C)C)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931304035 648976871 /nfs/dbraw/zinc/97/68/71/648976871.db2.gz KBKPIXRRTVNYFO-BNOWGMLFSA-N 2 2 253.390 0.737 20 0 CCADLP C[C@H](C(=O)N(C)C)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931304035 648976875 /nfs/dbraw/zinc/97/68/75/648976875.db2.gz KBKPIXRRTVNYFO-BNOWGMLFSA-N 2 2 253.390 0.737 20 0 CCADLP Nc1cc[nH+]c2c1C[N@H+](C[C@@H]1CCc3ncnn31)CC2 ZINC000931516019 648999636 /nfs/dbraw/zinc/99/96/36/648999636.db2.gz GENNVVPTXZTFFP-JTQLQIEISA-N 2 2 270.340 0.801 20 0 CCADLP Nc1cc[nH+]c2c1C[N@@H+](C[C@@H]1CCc3ncnn31)CC2 ZINC000931516019 648999641 /nfs/dbraw/zinc/99/96/41/648999641.db2.gz GENNVVPTXZTFFP-JTQLQIEISA-N 2 2 270.340 0.801 20 0 CCADLP C[C@H]1CCCN(C(=O)C[N@H+](C)C2CC[NH2+]CC2)C1 ZINC000036300691 649061827 /nfs/dbraw/zinc/06/18/27/649061827.db2.gz WGMDKBDUKQBZQI-LBPRGKRZSA-N 2 2 253.390 0.929 20 0 CCADLP C[C@H]1CCCN(C(=O)C[N@@H+](C)C2CC[NH2+]CC2)C1 ZINC000036300691 649061829 /nfs/dbraw/zinc/06/18/29/649061829.db2.gz WGMDKBDUKQBZQI-LBPRGKRZSA-N 2 2 253.390 0.929 20 0 CCADLP Cc1nc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c2c([nH+]1)CCC2 ZINC001164671460 719421890 /nfs/dbraw/zinc/42/18/90/719421890.db2.gz PLWCLNZJFNBKGQ-KBPBESRZSA-N 2 2 274.368 0.793 20 0 CCADLP Cc1nc(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c2c([nH+]1)CCC2 ZINC001164671460 719421898 /nfs/dbraw/zinc/42/18/98/719421898.db2.gz PLWCLNZJFNBKGQ-KBPBESRZSA-N 2 2 274.368 0.793 20 0 CCADLP CCc1nc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cc(C)[nH+]1 ZINC000342707563 719448226 /nfs/dbraw/zinc/44/82/26/719448226.db2.gz SZSBNMDZXJNDJB-NEPJUHHUSA-N 2 2 262.357 0.867 20 0 CCADLP CCc1nc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)cc(C)[nH+]1 ZINC000342707563 719448235 /nfs/dbraw/zinc/44/82/35/719448235.db2.gz SZSBNMDZXJNDJB-NEPJUHHUSA-N 2 2 262.357 0.867 20 0 CCADLP Cc1nc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c(C)c(C)[nH+]1 ZINC000301645730 719463179 /nfs/dbraw/zinc/46/31/79/719463179.db2.gz CXQKMTRYBZDVHD-OLZOCXBDSA-N 2 2 262.357 0.921 20 0 CCADLP Cc1nc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c(C)c(C)[nH+]1 ZINC000301645730 719463182 /nfs/dbraw/zinc/46/31/82/719463182.db2.gz CXQKMTRYBZDVHD-OLZOCXBDSA-N 2 2 262.357 0.921 20 0 CCADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1cc[nH+]c(N)n1 ZINC001164925653 721873593 /nfs/dbraw/zinc/87/35/93/721873593.db2.gz PANUWQPEQZKEDS-RYUDHWBXSA-N 2 2 276.388 0.273 20 0 CCADLP COC[C@@H](C)[NH2+]C1CC(CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001100392444 790362773 /nfs/dbraw/zinc/36/27/73/790362773.db2.gz JSWZFXBUFFGSEB-LKSINWNRSA-N 2 2 294.399 0.862 20 0 CCADLP COC[C@@H](C)[NH2+]C1CC(CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001100392444 790362786 /nfs/dbraw/zinc/36/27/86/790362786.db2.gz JSWZFXBUFFGSEB-LKSINWNRSA-N 2 2 294.399 0.862 20 0 CCADLP C[N@H+](CCN1CC[NH+](C)CC1)C[C@H]1CCC[NH+](C)C1 ZINC001208613648 790432443 /nfs/dbraw/zinc/43/24/43/790432443.db2.gz XJHBAARHXJZZJR-HNNXBMFYSA-N 3 2 268.449 0.507 20 0 CCADLP C[N@@H+](CCN1CC[NH+](C)CC1)C[C@H]1CCC[NH+](C)C1 ZINC001208613648 790432453 /nfs/dbraw/zinc/43/24/53/790432453.db2.gz XJHBAARHXJZZJR-HNNXBMFYSA-N 3 2 268.449 0.507 20 0 CCADLP C[NH+](CCN1CC[NH+](C)CC1)C[C@H]1CCC[N@H+](C)C1 ZINC001208613648 790432463 /nfs/dbraw/zinc/43/24/63/790432463.db2.gz XJHBAARHXJZZJR-HNNXBMFYSA-N 3 2 268.449 0.507 20 0 CCADLP C[NH+](CCN1CC[NH+](C)CC1)C[C@H]1CCC[N@@H+](C)C1 ZINC001208613648 790432471 /nfs/dbraw/zinc/43/24/71/790432471.db2.gz XJHBAARHXJZZJR-HNNXBMFYSA-N 3 2 268.449 0.507 20 0 CCADLP C[C@@H]1CO[C@@H]2CN(c3ccc(N4CC[NH2+]CC4)c[nH+]3)C[C@H]12 ZINC001167173537 790671532 /nfs/dbraw/zinc/67/15/32/790671532.db2.gz GWUGXMRMUNAXMU-BPLDGKMQSA-N 2 2 288.395 0.962 20 0 CCADLP CC(C)OCCC[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167349763 790944899 /nfs/dbraw/zinc/94/48/99/790944899.db2.gz FVFJQCYBRISBJP-UHFFFAOYSA-N 2 2 282.388 0.863 20 0 CCADLP O=C(N[C@H]1C[C@@H]([NH2+]CCCO)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001266695534 791150670 /nfs/dbraw/zinc/15/06/70/791150670.db2.gz YQYMRTUHIUNAEP-UPJWGTAASA-N 2 2 292.383 0.065 20 0 CCADLP c1cn(CC[N@H+]2C[C@H]3C[C@@H](C2)N3C[C@H]2COCCO2)c[nH+]1 ZINC001277527269 805814554 /nfs/dbraw/zinc/81/45/54/805814554.db2.gz XZCRNYWMYGQWBI-ZNMIVQPWSA-N 2 2 292.383 0.057 20 0 CCADLP c1cn(CC[N@@H+]2C[C@H]3C[C@@H](C2)N3C[C@H]2COCCO2)c[nH+]1 ZINC001277527269 805814564 /nfs/dbraw/zinc/81/45/64/805814564.db2.gz XZCRNYWMYGQWBI-ZNMIVQPWSA-N 2 2 292.383 0.057 20 0 CCADLP COC[C@@H](C(=O)OC)[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001277571063 805858505 /nfs/dbraw/zinc/85/85/05/805858505.db2.gz IMOWTXNIUOMDEL-ZDUSSCGKSA-N 2 2 284.400 0.982 20 0 CCADLP COC[C@@H](C(=O)OC)[NH+]1CCC2(CCC[N@@H+](C)C2)CC1 ZINC001277571063 805858512 /nfs/dbraw/zinc/85/85/12/805858512.db2.gz IMOWTXNIUOMDEL-ZDUSSCGKSA-N 2 2 284.400 0.982 20 0 CCADLP COC[C@@H](C(=O)OC)[NH+]1CCC2(C[NH+](C)C2)CC1 ZINC001277571893 805860232 /nfs/dbraw/zinc/86/02/32/805860232.db2.gz RQQFXEQPDYPBAG-NSHDSACASA-N 2 2 256.346 0.202 20 0 CCADLP Cc1ccc(C(=O)NCC[NH+]2CCC([NH3+])CC2)n1C ZINC000721885663 805973688 /nfs/dbraw/zinc/97/36/88/805973688.db2.gz XZLHULFYYJKICK-UHFFFAOYSA-N 2 2 264.373 0.486 20 0 CCADLP COCCC[NH2+]CCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001266746350 791205983 /nfs/dbraw/zinc/20/59/83/791205983.db2.gz VNWMNIWIUSMPBV-ZDUSSCGKSA-N 2 2 294.399 0.530 20 0 CCADLP CN(CC[NH2+]CC1CC1)C(=O)CCn1cc[nH+]c1 ZINC001266794038 791241740 /nfs/dbraw/zinc/24/17/40/791241740.db2.gz IJFUXRLWKUAFNL-UHFFFAOYSA-N 2 2 250.346 0.731 20 0 CCADLP CCOC1CC(C[NH2+]CCN(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001266846973 791283968 /nfs/dbraw/zinc/28/39/68/791283968.db2.gz ONDYENONPLRJKE-UHFFFAOYSA-N 2 2 294.399 0.815 20 0 CCADLP CN(CC[NH2+]CC[C@@H]1CCCCO1)C(=O)Cc1c[nH+]c[nH]1 ZINC001266846922 791284800 /nfs/dbraw/zinc/28/48/00/791284800.db2.gz MPWTUDRJUDRERJ-AWEZNQCLSA-N 2 2 294.399 0.959 20 0 CCADLP COCC[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001266974580 791411483 /nfs/dbraw/zinc/41/14/83/791411483.db2.gz UPMYYEZRSFXRNS-IJLUTSLNSA-N 2 2 280.372 0.264 20 0 CCADLP CCOCC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001267065195 791493530 /nfs/dbraw/zinc/49/35/30/791493530.db2.gz QGHCVESBLQNWDJ-ZDUSSCGKSA-N 2 2 294.399 0.437 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@@H](C[NH2+]CCCO)C1 ZINC001267068715 791495964 /nfs/dbraw/zinc/49/59/64/791495964.db2.gz ZWKMWXOHGGDDLN-ZDUSSCGKSA-N 2 2 294.399 0.173 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1csnn1 ZINC001267116734 791557905 /nfs/dbraw/zinc/55/79/05/791557905.db2.gz GORYZUHQNJRLBU-UHFFFAOYSA-N 2 2 285.417 0.426 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH2+]Cc1csnn1 ZINC001267116734 791557907 /nfs/dbraw/zinc/55/79/07/791557907.db2.gz GORYZUHQNJRLBU-UHFFFAOYSA-N 2 2 285.417 0.426 20 0 CCADLP CC(C)(C)OC[C@@H](O)C[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246021031 807120498 /nfs/dbraw/zinc/12/04/98/807120498.db2.gz DLZQBOAORXKKCB-IHRRRGAJSA-N 2 2 285.432 0.188 20 0 CCADLP CC(C)(C)OC[C@@H](O)C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001246021031 807120503 /nfs/dbraw/zinc/12/05/03/807120503.db2.gz DLZQBOAORXKKCB-IHRRRGAJSA-N 2 2 285.432 0.188 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001233976948 806161566 /nfs/dbraw/zinc/16/15/66/806161566.db2.gz JNYLABRIEHRCSJ-CHWSQXEVSA-N 2 2 294.399 0.910 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001233976948 806161570 /nfs/dbraw/zinc/16/15/70/806161570.db2.gz JNYLABRIEHRCSJ-CHWSQXEVSA-N 2 2 294.399 0.910 20 0 CCADLP C[NH+]1CCC(CC[N@@H+]2CCc3c([nH]nc3C(N)=O)C2)CC1 ZINC001277838263 806201948 /nfs/dbraw/zinc/20/19/48/806201948.db2.gz IVQVWMXJNMIWRF-UHFFFAOYSA-N 2 2 291.399 0.599 20 0 CCADLP C[NH+]1CCC(CC[N@H+]2CCc3c([nH]nc3C(N)=O)C2)CC1 ZINC001277838263 806201953 /nfs/dbraw/zinc/20/19/53/806201953.db2.gz IVQVWMXJNMIWRF-UHFFFAOYSA-N 2 2 291.399 0.599 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCC[C@H]1C[NH2+]CCF ZINC001277910256 806316966 /nfs/dbraw/zinc/31/69/66/806316966.db2.gz OECTZMDUBKXFFN-LBPRGKRZSA-N 2 2 268.336 0.823 20 0 CCADLP c1nc2ccc(CN3CC[NH2+]C[C@]34CC[NH2+]C4)cc2[nH]1 ZINC001234982753 806325644 /nfs/dbraw/zinc/32/56/44/806325644.db2.gz PUAJIYGGNYCSAN-OAHLLOKOSA-N 2 2 271.368 0.700 20 0 CCADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235051930 806352101 /nfs/dbraw/zinc/35/21/01/806352101.db2.gz CIYHVDSGAOBGNH-JHJVBQTASA-N 3 2 288.386 0.115 20 0 CCADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235051930 806352110 /nfs/dbraw/zinc/35/21/10/806352110.db2.gz CIYHVDSGAOBGNH-JHJVBQTASA-N 3 2 288.386 0.115 20 0 CCADLP c1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235052252 806352615 /nfs/dbraw/zinc/35/26/15/806352615.db2.gz FROIOCZGHZFBDQ-OAHLLOKOSA-N 2 2 299.382 0.004 20 0 CCADLP c1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235052252 806352623 /nfs/dbraw/zinc/35/26/23/806352623.db2.gz FROIOCZGHZFBDQ-OAHLLOKOSA-N 2 2 299.382 0.004 20 0 CCADLP CC(=O)Oc1cccc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1 ZINC001235054610 806358166 /nfs/dbraw/zinc/35/81/66/806358166.db2.gz QBVFCCFXPOQROC-INIZCTEOSA-N 2 2 289.379 0.749 20 0 CCADLP CC(=O)Oc1cccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1 ZINC001235054610 806358175 /nfs/dbraw/zinc/35/81/75/806358175.db2.gz QBVFCCFXPOQROC-INIZCTEOSA-N 2 2 289.379 0.749 20 0 CCADLP c1c(C[N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)sc2c1CC[NH2+]C2 ZINC001235062061 806363130 /nfs/dbraw/zinc/36/31/30/806363130.db2.gz NXGCQDOJYABNEZ-OAHLLOKOSA-N 3 2 292.452 0.531 20 0 CCADLP c1c(C[N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)sc2c1CC[NH2+]C2 ZINC001235062061 806363140 /nfs/dbraw/zinc/36/31/40/806363140.db2.gz NXGCQDOJYABNEZ-OAHLLOKOSA-N 3 2 292.452 0.531 20 0 CCADLP c1cc2cc(C[N@@H+]3CCN[C@@]4(CC[NH2+]C4)C3)ncc2[nH]1 ZINC001235063079 806366840 /nfs/dbraw/zinc/36/68/40/806366840.db2.gz NVWVGJFJNROBFA-OAHLLOKOSA-N 2 2 271.368 0.700 20 0 CCADLP c1cc2cc(C[N@H+]3CCN[C@@]4(CC[NH2+]C4)C3)ncc2[nH]1 ZINC001235063079 806366849 /nfs/dbraw/zinc/36/68/49/806366849.db2.gz NVWVGJFJNROBFA-OAHLLOKOSA-N 2 2 271.368 0.700 20 0 CCADLP CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001235302962 806403322 /nfs/dbraw/zinc/40/33/22/806403322.db2.gz IMLPYWFPYOGPJX-UONOGXRCSA-N 2 2 293.415 0.366 20 0 CCADLP CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001235302962 806403329 /nfs/dbraw/zinc/40/33/29/806403329.db2.gz IMLPYWFPYOGPJX-UONOGXRCSA-N 2 2 293.415 0.366 20 0 CCADLP CN(C[C@@H]1CC[N@@H+]1CCF)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001235338259 806410757 /nfs/dbraw/zinc/41/07/57/806410757.db2.gz VXVUNIJDXSHGFA-STQMWFEESA-N 2 2 271.380 0.829 20 0 CCADLP CN(C[C@@H]1CC[N@H+]1CCF)C(=O)[C@H](C1CC1)[NH+](C)C ZINC001235338259 806410760 /nfs/dbraw/zinc/41/07/60/806410760.db2.gz VXVUNIJDXSHGFA-STQMWFEESA-N 2 2 271.380 0.829 20 0 CCADLP [NH3+]CCN1Cc2c[nH+]cn2C[C@@H](COc2ccccn2)C1 ZINC001235660472 806485084 /nfs/dbraw/zinc/48/50/84/806485084.db2.gz FFSBHXIPELKCFS-ZDUSSCGKSA-N 2 2 287.367 0.748 20 0 CCADLP CC1(C)[NH2+]C[C@@H](CN2CC[NH+](C3(C)CC[NH2+]CC3)CC2)O1 ZINC001235815829 806506535 /nfs/dbraw/zinc/50/65/35/806506535.db2.gz PRDDDDQNGMDFOD-AWEZNQCLSA-N 3 2 296.459 0.471 20 0 CCADLP C[C@H]1C[NH2+]CC(F)(F)[C@@H]1CN1CC[C@@H](F)[C@@H]([NH3+])C1 ZINC001235906341 806515822 /nfs/dbraw/zinc/51/58/22/806515822.db2.gz OPMMDOPYNDSEMJ-ZDCRXTMVSA-N 2 2 265.323 0.848 20 0 CCADLP C[C@H]1C[NH2+]CC(F)(F)[C@H]1CN1CC[NH2+]C2(CC2)C1 ZINC001235932410 806519463 /nfs/dbraw/zinc/51/94/63/806519463.db2.gz JRVMFWLWLSUOPB-QWRGUYRKSA-N 2 2 259.344 0.915 20 0 CCADLP Cc1cc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])n(C)n1 ZINC001235991096 806523304 /nfs/dbraw/zinc/52/33/04/806523304.db2.gz BOTYDWQXNYIZBP-QYJAPNMZSA-N 2 2 250.346 0.134 20 0 CCADLP Cc1cc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])n(C)n1 ZINC001235991096 806523309 /nfs/dbraw/zinc/52/33/09/806523309.db2.gz BOTYDWQXNYIZBP-QYJAPNMZSA-N 2 2 250.346 0.134 20 0 CCADLP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001235993082 806523731 /nfs/dbraw/zinc/52/37/31/806523731.db2.gz OFSPPCSEUUNWPU-TZMCWYRMSA-N 2 2 270.340 0.790 20 0 CCADLP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001235993082 806523733 /nfs/dbraw/zinc/52/37/33/806523733.db2.gz OFSPPCSEUUNWPU-TZMCWYRMSA-N 2 2 270.340 0.790 20 0 CCADLP c1c(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)nc2n1CC[NH2+]C2 ZINC001236316310 806566746 /nfs/dbraw/zinc/56/67/46/806566746.db2.gz QZAAMHIRXAYPKG-BETUJISGSA-N 3 2 275.400 0.418 20 0 CCADLP c1c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)nc2n1CC[NH2+]C2 ZINC001236316310 806566751 /nfs/dbraw/zinc/56/67/51/806566751.db2.gz QZAAMHIRXAYPKG-BETUJISGSA-N 3 2 275.400 0.418 20 0 CCADLP COC(=O)[C@H]1CN(Cc2c[nH+]c3ccc(C)cn23)C[C@H]1[NH3+] ZINC001236341448 806571263 /nfs/dbraw/zinc/57/12/63/806571263.db2.gz ICFZNYSZKRIBNH-QWHCGFSZSA-N 2 2 288.351 0.575 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](CC2(C)CCOCC2)C[C@H]1[NH3+] ZINC001236342830 806572591 /nfs/dbraw/zinc/57/25/91/806572591.db2.gz NUVWYRGHKUNRIN-GHMZBOCLSA-N 2 2 256.346 0.235 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](CC2(C)CCOCC2)C[C@H]1[NH3+] ZINC001236342830 806572600 /nfs/dbraw/zinc/57/26/00/806572600.db2.gz NUVWYRGHKUNRIN-GHMZBOCLSA-N 2 2 256.346 0.235 20 0 CCADLP COC(=O)[C@H]1CN(Cc2cccc3[nH+]ccn32)C[C@@H]1[NH3+] ZINC001236347722 806578447 /nfs/dbraw/zinc/57/84/47/806578447.db2.gz BXATXKKUBWOYQS-RYUDHWBXSA-N 2 2 274.324 0.266 20 0 CCADLP [NH3+]CC[NH+]1CCC2(CCN(CC3CC3)C2=O)CC1 ZINC001236534638 806592534 /nfs/dbraw/zinc/59/25/34/806592534.db2.gz YZAPTJIIWHDSCF-UHFFFAOYSA-N 2 2 251.374 0.670 20 0 CCADLP C[NH+]1CCC([N@H+](CCCC[NH3+])C2CC[NH2+]CC2)CC1 ZINC001237038045 806633684 /nfs/dbraw/zinc/63/36/84/806633684.db2.gz PUUMQMXVHKMCRU-UHFFFAOYSA-N 4 2 268.449 0.874 20 0 CCADLP C[NH+]1CCC([N@@H+](CCCC[NH3+])C2CC[NH2+]CC2)CC1 ZINC001237038045 806633688 /nfs/dbraw/zinc/63/36/88/806633688.db2.gz PUUMQMXVHKMCRU-UHFFFAOYSA-N 2 2 268.449 0.874 20 0 CCADLP CN1CC[NH+](CCCN2CC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC001278116663 806689317 /nfs/dbraw/zinc/68/93/17/806689317.db2.gz DNFUFKKRWPPYRY-LSDHHAIUSA-N 2 2 266.433 0.260 20 0 CCADLP CN1CC[NH+](CCCN2CC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC001278116663 806689321 /nfs/dbraw/zinc/68/93/21/806689321.db2.gz DNFUFKKRWPPYRY-LSDHHAIUSA-N 2 2 266.433 0.260 20 0 CCADLP CC(C)OCCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001120562778 798865740 /nfs/dbraw/zinc/86/57/40/798865740.db2.gz DSLIFEIFBVTUKI-UHFFFAOYSA-N 2 2 286.420 0.524 20 0 CCADLP CC[NH+]1CCN(CCCNC(=O)C[C@H]([NH3+])C(F)F)CC1 ZINC001121927736 799097505 /nfs/dbraw/zinc/09/75/05/799097505.db2.gz FJGWTXGVGSKTEL-NSHDSACASA-N 2 2 292.374 0.113 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001121998665 799118281 /nfs/dbraw/zinc/11/82/81/799118281.db2.gz FFIODCPKYOMGSJ-MVWJERBFSA-N 2 2 262.357 0.688 20 0 CCADLP CCc1nc(C(=O)NCC[NH+]2CCC([NH3+])CC2)co1 ZINC001122157891 799157286 /nfs/dbraw/zinc/15/72/86/799157286.db2.gz XIPDVTUORUIQFQ-UHFFFAOYSA-N 2 2 266.345 0.390 20 0 CCADLP Cc1ncncc1C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001238172970 806767388 /nfs/dbraw/zinc/76/73/88/806767388.db2.gz LDCNSPXWMHCVHE-CQSZACIVSA-N 2 2 291.399 0.427 20 0 CCADLP Cc1ncncc1C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C)C1 ZINC001238172970 806767396 /nfs/dbraw/zinc/76/73/96/806767396.db2.gz LDCNSPXWMHCVHE-CQSZACIVSA-N 2 2 291.399 0.427 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)s1 ZINC001124878808 799643345 /nfs/dbraw/zinc/64/33/45/799643345.db2.gz OTRONAQGACTJLG-KOLCDFICSA-N 2 2 297.428 0.708 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)s1 ZINC001124878808 799643350 /nfs/dbraw/zinc/64/33/50/799643350.db2.gz OTRONAQGACTJLG-KOLCDFICSA-N 2 2 297.428 0.708 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1C[C@@H]([NH2+]CCO)C12CCC2 ZINC001202857245 799749755 /nfs/dbraw/zinc/74/97/55/799749755.db2.gz QENQYOQKRJTSEN-VXGBXAGGSA-N 2 2 292.383 0.352 20 0 CCADLP COc1nccc(C[N@H+](C)CCN2CC[NH+](C)CC2)n1 ZINC001140692828 799933575 /nfs/dbraw/zinc/93/35/75/799933575.db2.gz RXVFQRLCPMUHEV-UHFFFAOYSA-N 2 2 279.388 0.164 20 0 CCADLP COc1nccc(C[N@@H+](C)CCN2CC[NH+](C)CC2)n1 ZINC001140692828 799933580 /nfs/dbraw/zinc/93/35/80/799933580.db2.gz RXVFQRLCPMUHEV-UHFFFAOYSA-N 2 2 279.388 0.164 20 0 CCADLP [NH3+]CC[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC001238839483 806813148 /nfs/dbraw/zinc/81/31/48/806813148.db2.gz SCKXJIIPSFGHOO-UHFFFAOYSA-N 2 2 295.767 0.306 20 0 CCADLP [NH3+]CCS(=O)(=O)NCc1c[nH+]cn1Cc1ccccc1 ZINC001238870851 806814284 /nfs/dbraw/zinc/81/42/84/806814284.db2.gz WOOUHXLPWIBDSV-UHFFFAOYSA-N 2 2 294.380 0.310 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1C[N@H+](CC2CC2)CCCO1 ZINC001150824649 800370825 /nfs/dbraw/zinc/37/08/25/800370825.db2.gz OLRJXVPFIWPSIL-CQSZACIVSA-N 2 2 292.383 0.500 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1C[N@@H+](CC2CC2)CCCO1 ZINC001150824649 800370833 /nfs/dbraw/zinc/37/08/33/800370833.db2.gz OLRJXVPFIWPSIL-CQSZACIVSA-N 2 2 292.383 0.500 20 0 CCADLP Cc1ccnc(C[NH2+]CCNC(=O)C[NH+]2CCCC2)n1 ZINC001151096756 800397759 /nfs/dbraw/zinc/39/77/59/800397759.db2.gz FKTBQNQUGCWZTH-UHFFFAOYSA-N 2 2 277.372 0.087 20 0 CCADLP Cc1cnc([C@@H](C)[NH2+]CCNC(=O)C[NH+]2CCCC2)o1 ZINC001151097172 800398161 /nfs/dbraw/zinc/39/81/61/800398161.db2.gz KITWYPBPOQDYEN-GFCCVEGCSA-N 2 2 280.372 0.846 20 0 CCADLP Cn1cc(Cl)c(C[NH2+]CCNC(=O)C[NH+]2CCCC2)n1 ZINC001151101604 800399128 /nfs/dbraw/zinc/39/91/28/800399128.db2.gz UZCWVRARIOHGFF-UHFFFAOYSA-N 2 2 299.806 0.375 20 0 CCADLP CC(C)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001151815664 800461653 /nfs/dbraw/zinc/46/16/53/800461653.db2.gz YFOBUKDVBGENAA-AWEZNQCLSA-N 2 2 283.416 0.459 20 0 CCADLP CCOC(=O)CN(CC[NH3+])C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001151980094 800476110 /nfs/dbraw/zinc/47/61/10/800476110.db2.gz ZHPVKJSDZGLIJH-UHFFFAOYSA-N 2 2 290.323 0.527 20 0 CCADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[NH2+]Cc1cnon1 ZINC001152149070 800496046 /nfs/dbraw/zinc/49/60/46/800496046.db2.gz UBHHGAZBLPIBTF-QWRGUYRKSA-N 2 2 281.360 0.148 20 0 CCADLP O=C(CC[NH+]1CCCCC1)NCC[NH2+]Cc1cnon1 ZINC001152340711 800510763 /nfs/dbraw/zinc/51/07/63/800510763.db2.gz VLCWRKWXXMIACZ-UHFFFAOYSA-N 2 2 281.360 0.151 20 0 CCADLP COCCCC[NH2+]CCNC(=O)CCCn1cc[nH+]c1 ZINC001153350901 800624838 /nfs/dbraw/zinc/62/48/38/800624838.db2.gz NNWNEFUYSLGMOC-UHFFFAOYSA-N 2 2 282.388 0.796 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CCOCC(F)(F)F ZINC001153500627 800637112 /nfs/dbraw/zinc/63/71/12/800637112.db2.gz SBGUTKNPBYLVON-UHFFFAOYSA-N 2 2 294.277 0.168 20 0 CCADLP Cc1nc2c(cccc2C(=O)N(CCCC[NH3+])C(N)=[NH2+])[nH]1 ZINC001153613846 800646725 /nfs/dbraw/zinc/64/67/25/800646725.db2.gz LUDAZYDALVBVLL-UHFFFAOYSA-N 2 2 288.355 0.946 20 0 CCADLP CC[N@H+](CCO)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001154092864 800719041 /nfs/dbraw/zinc/71/90/41/800719041.db2.gz OSPIKDMNVTZZAE-CHWSQXEVSA-N 2 2 294.399 0.264 20 0 CCADLP CC[N@@H+](CCO)[C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001154092864 800719045 /nfs/dbraw/zinc/71/90/45/800719045.db2.gz OSPIKDMNVTZZAE-CHWSQXEVSA-N 2 2 294.399 0.264 20 0 CCADLP C[C@@H](CN1CC[NH2+]CC1)Nc1cc(N(C)C)[nH+]cn1 ZINC001154748128 800837752 /nfs/dbraw/zinc/83/77/52/800837752.db2.gz QQDWEYFOWWXOEI-NSHDSACASA-N 2 2 264.377 0.248 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC001156975136 801276532 /nfs/dbraw/zinc/27/65/32/801276532.db2.gz GTKAGBGXEXBGJS-QMMMGPOBSA-N 2 2 261.329 0.825 20 0 CCADLP Cn1ccc(C[NH2+]CCCNC(=O)CCc2[nH]cc[nH+]2)n1 ZINC001157257571 801333678 /nfs/dbraw/zinc/33/36/78/801333678.db2.gz URFLUZAEFJLHKR-UHFFFAOYSA-N 2 2 290.371 0.372 20 0 CCADLP CN(CC(F)(F)F)C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001157519602 801404576 /nfs/dbraw/zinc/40/45/76/801404576.db2.gz ZXLKGPNUCRMEFC-BHNWBGBOSA-N 2 2 251.252 0.229 20 0 CCADLP [NH3+][C@H]1CN(C(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)C[C@H]1F ZINC001157531819 801407871 /nfs/dbraw/zinc/40/78/71/801407871.db2.gz RMMDYUGRLHMHOH-UPJWGTAASA-N 2 2 292.358 0.806 20 0 CCADLP COC(=O)c1ccnc(NC(=[NH2+])N2CC[NH+](C)CC2)c1C ZINC001157914562 801518613 /nfs/dbraw/zinc/51/86/13/801518613.db2.gz HYLPHYYDUIDJEY-UHFFFAOYSA-N 2 2 291.355 0.771 20 0 CCADLP COCOc1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)nc1 ZINC001157914647 801519393 /nfs/dbraw/zinc/51/93/93/801519393.db2.gz CXJDMINYWOHWID-UHFFFAOYSA-N 2 2 279.344 0.658 20 0 CCADLP COC(=O)c1cc(C)cc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001157915289 801520025 /nfs/dbraw/zinc/52/00/25/801520025.db2.gz PLLUQRMRJGIBQJ-UHFFFAOYSA-N 2 2 291.355 0.771 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cccc(Cl)[n+]2[O-])CC1 ZINC001157915437 801521160 /nfs/dbraw/zinc/52/11/60/801521160.db2.gz WXYMWUSNEZAZKI-UHFFFAOYSA-N 2 2 269.736 0.567 20 0 CCADLP C[C@]1(F)CCN(C(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)C[C@H]1F ZINC001157923228 801522154 /nfs/dbraw/zinc/52/21/54/801522154.db2.gz BLOYIHGQSPOFQY-AAXDQBDMSA-N 2 2 273.327 0.237 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC(OC2CCC2)CC1 ZINC001157951671 801536635 /nfs/dbraw/zinc/53/66/35/801536635.db2.gz DGVPZUXQSVWPMG-AWEZNQCLSA-N 2 2 292.383 0.840 20 0 CCADLP COCC[NH2+]CCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001158062099 801561314 /nfs/dbraw/zinc/56/13/14/801561314.db2.gz POBNMPZRJOUNHH-UHFFFAOYSA-N 2 2 290.367 0.999 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1C[C@H]2[C@H](CC2(F)F)C1 ZINC001158194416 801588048 /nfs/dbraw/zinc/58/80/48/801588048.db2.gz WLWILHIRHSUNDK-MIMYLULJSA-N 2 2 284.310 0.404 20 0 CCADLP O=C([C@H]1C[NH2+]CC(F)(F)C1)N1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001158198782 801589275 /nfs/dbraw/zinc/58/92/75/801589275.db2.gz ITSUXHGQAVPSSA-KXUCPTDWSA-N 2 2 259.300 0.194 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncnc2sccc21 ZINC001158203439 801591219 /nfs/dbraw/zinc/59/12/19/801591219.db2.gz MPZUMYLZAYZHHV-MRVPVSSYSA-N 2 2 275.337 0.739 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc(Cl)ncc1F ZINC001158203543 801591793 /nfs/dbraw/zinc/59/17/93/801591793.db2.gz DLHPORIXLHFLCN-SSDOTTSWSA-N 2 2 270.695 0.922 20 0 CCADLP COC(=O)c1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ncc1F ZINC001158204967 801592932 /nfs/dbraw/zinc/59/29/32/801592932.db2.gz YKQFMRCUAFLGNJ-MRVPVSSYSA-N 2 2 294.286 0.055 20 0 CCADLP CCOc1nc(Cl)cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158204986 801593028 /nfs/dbraw/zinc/59/30/28/801593028.db2.gz ZQDPAKYEFZYHHA-MRVPVSSYSA-N 2 2 297.746 0.577 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nc2[nH]cnc2cc1Cl ZINC001158206543 801594729 /nfs/dbraw/zinc/59/47/29/801594729.db2.gz UOBJIVWVBVPNEG-SSDOTTSWSA-N 2 2 292.730 0.659 20 0 CCADLP NC(=O)c1ccc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)nc1 ZINC001158258540 801609123 /nfs/dbraw/zinc/60/91/23/801609123.db2.gz BTCCJDFHALEENC-LBPRGKRZSA-N 2 2 289.383 0.182 20 0 CCADLP NC(=O)c1ccc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)nc1 ZINC001158258540 801609128 /nfs/dbraw/zinc/60/91/28/801609128.db2.gz BTCCJDFHALEENC-LBPRGKRZSA-N 2 2 289.383 0.182 20 0 CCADLP C[C@H]1C[NH+](C2CN(c3cc(N)cc[nH+]3)C2)C[C@H](C)O1 ZINC001158715199 801693530 /nfs/dbraw/zinc/69/35/30/801693530.db2.gz BSQWPNJOFUICDP-QWRGUYRKSA-N 2 2 262.357 0.962 20 0 CCADLP [NH3+][C@H]1CN(c2cc(N3CCCCC3)[nH+]cn2)CC12COC2 ZINC001158765577 801702539 /nfs/dbraw/zinc/70/25/39/801702539.db2.gz FZMUNTTTZGAXHH-LBPRGKRZSA-N 2 2 289.383 0.631 20 0 CCADLP C=CC(=O)NCCNc1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001158835282 801712099 /nfs/dbraw/zinc/71/20/99/801712099.db2.gz SMOXUZGXOJPYIM-UHFFFAOYSA-N 2 2 289.383 0.548 20 0 CCADLP CSc1nc(N[C@@H]2C[NH2+]C[C@@H]2CO)cc(C)[nH+]1 ZINC001159673402 801846532 /nfs/dbraw/zinc/84/65/32/801846532.db2.gz WZSILRZMYDRRJI-RKDXNWHRSA-N 2 2 254.359 0.499 20 0 CCADLP C[NH+]1CCN(C(=O)c2ccnc(C3=CC[NH2+]CC3)c2)CC1 ZINC001240465565 806940692 /nfs/dbraw/zinc/94/06/92/806940692.db2.gz LPIYAIXHHBCFAI-UHFFFAOYSA-N 2 2 286.379 0.846 20 0 CCADLP CCOCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160337197 801931055 /nfs/dbraw/zinc/93/10/55/801931055.db2.gz WLTGMVIHRDYIJP-VXGBXAGGSA-N 2 2 280.372 0.646 20 0 CCADLP CCOCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160337197 801931059 /nfs/dbraw/zinc/93/10/59/801931059.db2.gz WLTGMVIHRDYIJP-VXGBXAGGSA-N 2 2 280.372 0.646 20 0 CCADLP CN(CC1CC[NH+](C)CC1)C(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001160453996 801942646 /nfs/dbraw/zinc/94/26/46/801942646.db2.gz JJZRTPVSVNRFML-NFAWXSAZSA-N 3 2 280.416 0.008 20 0 CCADLP O=C(N1CC[C@H](c2cccnc2)C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001160525412 801961348 /nfs/dbraw/zinc/96/13/48/801961348.db2.gz ZGMOXNFCYJZJMC-DZKIICNBSA-N 2 2 286.379 0.349 20 0 CCADLP [NH3+][C@@H](CC(F)F)C(=O)N1CCc2[nH+]ccn2CC1 ZINC001160760116 802017500 /nfs/dbraw/zinc/01/75/00/802017500.db2.gz DGGOTDFIINHIHJ-QMMMGPOBSA-N 2 2 258.272 0.250 20 0 CCADLP COC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160909549 802046272 /nfs/dbraw/zinc/04/62/72/802046272.db2.gz YVTMREVLQRDQOM-IPNSXDPFSA-N 2 2 279.384 0.106 20 0 CCADLP O=C(N1CCC[C@@H]1c1ccccn1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160936372 802049667 /nfs/dbraw/zinc/04/96/67/802049667.db2.gz VVKHQKPOPQLATR-XPKDYRNWSA-N 2 2 286.379 0.697 20 0 CCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cnc(C[NH3+])s3)C[C@@H]21 ZINC001161084974 802086134 /nfs/dbraw/zinc/08/61/34/802086134.db2.gz LNJDSWSEOZJVMM-ZJUUUORDSA-N 2 2 280.397 0.768 20 0 CCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)c3cnc(C[NH3+])s3)C[C@@H]21 ZINC001161084974 802086140 /nfs/dbraw/zinc/08/61/40/802086140.db2.gz LNJDSWSEOZJVMM-ZJUUUORDSA-N 2 2 280.397 0.768 20 0 CCADLP CCN(C(=O)[C@H]1Cc2ccccc2C[NH2+]1)C1C[NH+](C)C1 ZINC001161138246 802100158 /nfs/dbraw/zinc/10/01/58/802100158.db2.gz QDRDYDMBKCXTAO-OAHLLOKOSA-N 2 2 273.380 0.863 20 0 CCADLP O=C(NCCC[NH2+]CCF)[C@@H]1CCn2c[nH+]cc2C1 ZINC001161214527 802109283 /nfs/dbraw/zinc/10/92/83/802109283.db2.gz AZPSJWGSNKYPLF-LLVKDONJSA-N 2 2 268.336 0.511 20 0 CCADLP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCN1)N1CC[NH2+]C1 ZINC001161416351 802150005 /nfs/dbraw/zinc/15/00/05/802150005.db2.gz HPPOKHULKJVFLL-OAHLLOKOSA-N 2 2 288.395 0.240 20 0 CCADLP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1)N1CC[NH2+]C1 ZINC001161416351 802150009 /nfs/dbraw/zinc/15/00/09/802150009.db2.gz HPPOKHULKJVFLL-OAHLLOKOSA-N 2 2 288.395 0.240 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C1CCC1)C1CCOCC1 ZINC001161460217 802157106 /nfs/dbraw/zinc/15/71/06/802157106.db2.gz IITCWQWPLXYDSV-AWEZNQCLSA-N 2 2 292.383 0.840 20 0 CCADLP C[C@@H](C[NH3+])C(=O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001161472756 802159894 /nfs/dbraw/zinc/15/98/94/802159894.db2.gz YKQVWHAXDDYWQP-WDEREUQCSA-N 2 2 275.343 0.913 20 0 CCADLP NC(=O)c1cnc(Cl)nc1NCC[NH+]1CCC([NH3+])CC1 ZINC001161867479 802234811 /nfs/dbraw/zinc/23/48/11/802234811.db2.gz REZGXDPWRYAWAD-UHFFFAOYSA-N 2 2 298.778 0.064 20 0 CCADLP COC(=O)[C@@H]([NH3+])c1ccc(-c2cnn(C3C[NH2+]C3)c2)cc1 ZINC001241614326 806975084 /nfs/dbraw/zinc/97/50/84/806975084.db2.gz HNWOCVVUWNIYRT-AWEZNQCLSA-N 2 2 286.335 0.867 20 0 CCADLP COC(=O)[C@H]([NH3+])c1ccc(-c2cnn(C3C[NH2+]C3)c2)cc1 ZINC001241614336 806975683 /nfs/dbraw/zinc/97/56/83/806975683.db2.gz HNWOCVVUWNIYRT-CQSZACIVSA-N 2 2 286.335 0.867 20 0 CCADLP C[C@@]1([NH3+])C[C@H](Nc2cc(N3CCC[C@H]3C(N)=O)nc[nH+]2)C1 ZINC001162331484 802324597 /nfs/dbraw/zinc/32/45/97/802324597.db2.gz QTRJNXSVPPNYHC-PKFCDNJMSA-N 2 2 290.371 0.222 20 0 CCADLP C[C@@]1([NH3+])C[C@H](Nc2cc(N3CCC[C@H]3C(N)=O)[nH+]cn2)C1 ZINC001162331484 802324606 /nfs/dbraw/zinc/32/46/06/802324606.db2.gz QTRJNXSVPPNYHC-PKFCDNJMSA-N 2 2 290.371 0.222 20 0 CCADLP Cc1cc(NC[C@H]2C[N@H+](C)CCO2)nc2c1C[NH2+]CC2 ZINC001162680390 802385898 /nfs/dbraw/zinc/38/58/98/802385898.db2.gz KSHXHURUJMPKAW-LBPRGKRZSA-N 2 2 276.384 0.778 20 0 CCADLP Cc1cc(NC[C@H]2C[N@@H+](C)CCO2)nc2c1C[NH2+]CC2 ZINC001162680390 802385906 /nfs/dbraw/zinc/38/59/06/802385906.db2.gz KSHXHURUJMPKAW-LBPRGKRZSA-N 2 2 276.384 0.778 20 0 CCADLP Cc1cc(N(C)C)nc(NC[C@@H]2C[N@H+](C)CCO2)[nH+]1 ZINC001162682603 802389490 /nfs/dbraw/zinc/38/94/90/802389490.db2.gz DSUREUDRUMQKOW-LLVKDONJSA-N 2 2 265.361 0.594 20 0 CCADLP Cc1cc(N(C)C)nc(NC[C@@H]2C[N@@H+](C)CCO2)[nH+]1 ZINC001162682603 802389499 /nfs/dbraw/zinc/38/94/99/802389499.db2.gz DSUREUDRUMQKOW-LLVKDONJSA-N 2 2 265.361 0.594 20 0 CCADLP CNC(=O)C[NH2+]CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001162910661 802433946 /nfs/dbraw/zinc/43/39/46/802433946.db2.gz UCOFTOQEXULUFQ-UHFFFAOYSA-N 2 2 292.383 0.462 20 0 CCADLP O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2cccn3cc[nH+]c23)N1 ZINC001163238400 802511390 /nfs/dbraw/zinc/51/13/90/802511390.db2.gz BSYDQKQVRLDZPH-GXFFZTMASA-N 2 2 257.297 0.324 20 0 CCADLP Cn1c[nH+]c2ccc(N[C@]34CC[NH2+][C@H]3CC(=O)N4)cc21 ZINC001163247740 802516511 /nfs/dbraw/zinc/51/65/11/802516511.db2.gz FCNFYEPITFZOOP-JSGCOSHPSA-N 2 2 271.324 0.563 20 0 CCADLP NC(=O)[C@H]1CCCN1c1cc(NCC2([NH3+])CCC2)nc[nH+]1 ZINC001163328330 802535324 /nfs/dbraw/zinc/53/53/24/802535324.db2.gz NUJSLBWJQSAMKP-SNVBAGLBSA-N 2 2 290.371 0.224 20 0 CCADLP CCOC(=O)[C@@H]([NH3+])Cc1cn(-c2cc(N)cc[nH+]2)cn1 ZINC001163413578 802553615 /nfs/dbraw/zinc/55/36/15/802553615.db2.gz ZHRAOMZJHKOWMJ-NSHDSACASA-N 2 2 275.312 0.282 20 0 CCADLP Cn1nccc1C[NH2+]CCCNC(=O)CCn1cc[nH+]c1 ZINC001163588394 802573046 /nfs/dbraw/zinc/57/30/46/802573046.db2.gz HSUOEYWLOXAKDH-UHFFFAOYSA-N 2 2 290.371 0.303 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCC[NH2+]Cc1ncccn1 ZINC001163589036 802573412 /nfs/dbraw/zinc/57/34/12/802573412.db2.gz UXLCABVAZWLZCM-UHFFFAOYSA-N 2 2 288.355 0.359 20 0 CCADLP CCCCc1nc(N(CC[NH3+])CCO)cc(C)[nH+]1 ZINC001163830099 802620582 /nfs/dbraw/zinc/62/05/82/802620582.db2.gz SBCGQYOVWJAESG-UHFFFAOYSA-N 2 2 252.362 0.885 20 0 CCADLP O=S1(=O)C=C[C@@H](Nc2[nH+]cccc2N2CC[NH2+]CC2)C1 ZINC001164012544 802651353 /nfs/dbraw/zinc/65/13/53/802651353.db2.gz PLWWWGIEQNVLNK-LLVKDONJSA-N 2 2 294.380 0.214 20 0 CCADLP C[NH+](C)C1(CNc2cc(C[NH3+])ccn2)CC[NH+](C)CC1 ZINC001164206307 802687334 /nfs/dbraw/zinc/68/73/34/802687334.db2.gz MPZGNTWGUWRXGS-UHFFFAOYSA-N 3 2 277.416 0.978 20 0 CCADLP C[n+]1cccc(NCC2([NH+](C)C)CC[NH+](C)CC2)c1 ZINC001164217654 802690694 /nfs/dbraw/zinc/69/06/94/802690694.db2.gz ZREUMIJLVGCIJY-UHFFFAOYSA-N 3 2 263.409 0.949 20 0 CCADLP COCC[NH2+]CC1(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001164334295 802726356 /nfs/dbraw/zinc/72/63/56/802726356.db2.gz CITIQJONJCVEQO-UHFFFAOYSA-N 2 2 294.399 0.865 20 0 CCADLP c1nc(N2CCOCC23C[NH2+]C3)cc(N2CCCCC2)[nH+]1 ZINC001165288366 802815857 /nfs/dbraw/zinc/81/58/57/802815857.db2.gz IEMSISAKGZKGOC-UHFFFAOYSA-N 2 2 289.383 0.646 20 0 CCADLP c1nc(N2CC[C@@H]3[NH2+]CC[C@H]32)cc(N2CCOCC2)[nH+]1 ZINC001165296285 802816639 /nfs/dbraw/zinc/81/66/39/802816639.db2.gz AMOHTDVAEWYTOU-NWDGAFQWSA-N 2 2 275.356 0.254 20 0 CCADLP COC[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001166402217 802904195 /nfs/dbraw/zinc/90/41/95/802904195.db2.gz LWWSECLBGUJKFV-RYUDHWBXSA-N 2 2 294.399 0.960 20 0 CCADLP Cn1cc(C[N@H+]2CCC(=O)N(CC[NH+](C)C)CC2)cn1 ZINC001205015126 803114381 /nfs/dbraw/zinc/11/43/81/803114381.db2.gz CBEOGADTPXFLQJ-UHFFFAOYSA-N 2 2 279.388 0.016 20 0 CCADLP Cn1cc(C[N@@H+]2CCC(=O)N(CC[NH+](C)C)CC2)cn1 ZINC001205015126 803114386 /nfs/dbraw/zinc/11/43/86/803114386.db2.gz CBEOGADTPXFLQJ-UHFFFAOYSA-N 2 2 279.388 0.016 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCC(C[NH2+]CCCO)CC1 ZINC001205811191 803177194 /nfs/dbraw/zinc/17/71/94/803177194.db2.gz OBYZKSVMKIHKTK-UHFFFAOYSA-N 2 2 294.399 0.484 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2cnc3ccccc3n2)C[C@H]1O ZINC001206467854 803247137 /nfs/dbraw/zinc/24/71/37/803247137.db2.gz BMGANBWKWGBPFM-IINYFYTJSA-N 2 2 258.325 0.381 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2cnc3ccccc3n2)C[C@H]1O ZINC001206467854 803247140 /nfs/dbraw/zinc/24/71/40/803247140.db2.gz BMGANBWKWGBPFM-IINYFYTJSA-N 2 2 258.325 0.381 20 0 CCADLP COc1c(F)cccc1C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206474953 803250140 /nfs/dbraw/zinc/25/01/40/803250140.db2.gz KVGQFRIRKDRIAB-CMPLNLGQSA-N 2 2 254.305 0.586 20 0 CCADLP COc1c(F)cccc1C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206474953 803250144 /nfs/dbraw/zinc/25/01/44/803250144.db2.gz KVGQFRIRKDRIAB-CMPLNLGQSA-N 2 2 254.305 0.586 20 0 CCADLP CCOc1cc(O)cc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206480914 803252002 /nfs/dbraw/zinc/25/20/02/803252002.db2.gz LPBLNCMZYLJZOT-SMDDNHRTSA-N 2 2 266.341 0.542 20 0 CCADLP CCOc1cc(O)cc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206480914 803252006 /nfs/dbraw/zinc/25/20/06/803252006.db2.gz LPBLNCMZYLJZOT-SMDDNHRTSA-N 2 2 266.341 0.542 20 0 CCADLP CSc1ncc(C)cc1C[N@@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206491833 803253144 /nfs/dbraw/zinc/25/31/44/803253144.db2.gz MWBUROYXGDTFQH-NWDGAFQWSA-N 2 2 267.398 0.863 20 0 CCADLP CSc1ncc(C)cc1C[N@H+]1C[C@@H](O)[C@@H](C[NH3+])C1 ZINC001206491833 803253152 /nfs/dbraw/zinc/25/31/52/803253152.db2.gz MWBUROYXGDTFQH-NWDGAFQWSA-N 2 2 267.398 0.863 20 0 CCADLP CCOc1cc(F)cc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206491745 803253708 /nfs/dbraw/zinc/25/37/08/803253708.db2.gz LCBWMQBFJICBQG-SMDDNHRTSA-N 2 2 268.332 0.976 20 0 CCADLP CCOc1cc(F)cc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206491745 803253713 /nfs/dbraw/zinc/25/37/13/803253713.db2.gz LCBWMQBFJICBQG-SMDDNHRTSA-N 2 2 268.332 0.976 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](CCc2cc(F)cc(F)c2)C[C@@H]1O ZINC001206512280 803256447 /nfs/dbraw/zinc/25/64/47/803256447.db2.gz KMDHOYVPYAAZMF-GWCFXTLKSA-N 2 2 256.296 0.759 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CCc2cc(F)cc(F)c2)C[C@@H]1O ZINC001206512280 803256452 /nfs/dbraw/zinc/25/64/52/803256452.db2.gz KMDHOYVPYAAZMF-GWCFXTLKSA-N 2 2 256.296 0.759 20 0 CCADLP COc1nc2ccccc2cc1C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206513010 803256993 /nfs/dbraw/zinc/25/69/93/803256993.db2.gz WWGYKLKQTJOUDF-ZFWWWQNUSA-N 2 2 287.363 0.995 20 0 CCADLP COc1nc2ccccc2cc1C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206513010 803256995 /nfs/dbraw/zinc/25/69/95/803256995.db2.gz WWGYKLKQTJOUDF-ZFWWWQNUSA-N 2 2 287.363 0.995 20 0 CCADLP Cn1cc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c2c1ccnc2Cl ZINC001206535895 803263017 /nfs/dbraw/zinc/26/30/17/803263017.db2.gz UCHVZBIZCKOZQN-CABZTGNLSA-N 2 2 294.786 0.978 20 0 CCADLP Cn1cc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c2c1ccnc2Cl ZINC001206535895 803263020 /nfs/dbraw/zinc/26/30/20/803263020.db2.gz UCHVZBIZCKOZQN-CABZTGNLSA-N 2 2 294.786 0.978 20 0 CCADLP COc1ccc2c(c1)[nH]nc2C[N@@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206535201 803263125 /nfs/dbraw/zinc/26/31/25/803263125.db2.gz FZHCNZNOUJVNMD-XPTSAGLGSA-N 2 2 276.340 0.323 20 0 CCADLP COc1ccc2c(c1)[nH]nc2C[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206535201 803263128 /nfs/dbraw/zinc/26/31/28/803263128.db2.gz FZHCNZNOUJVNMD-XPTSAGLGSA-N 2 2 276.340 0.323 20 0 CCADLP CO[C@@H](C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001207454418 803403849 /nfs/dbraw/zinc/40/38/49/803403849.db2.gz WPMXGHIQOGGMTI-MBNYWOFBSA-N 2 2 294.399 0.814 20 0 CCADLP CO[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001207454418 803403853 /nfs/dbraw/zinc/40/38/53/803403853.db2.gz WPMXGHIQOGGMTI-MBNYWOFBSA-N 2 2 294.399 0.814 20 0 CCADLP CO[C@@H](C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001207454418 803403859 /nfs/dbraw/zinc/40/38/59/803403859.db2.gz WPMXGHIQOGGMTI-MBNYWOFBSA-N 2 2 294.399 0.814 20 0 CCADLP CO[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001207454418 803403863 /nfs/dbraw/zinc/40/38/63/803403863.db2.gz WPMXGHIQOGGMTI-MBNYWOFBSA-N 2 2 294.399 0.814 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](CC2(C[NH+](C)C)CCCC2)CCN1C ZINC001208186987 803497278 /nfs/dbraw/zinc/49/72/78/803497278.db2.gz DVWNLRHYUCDKDO-AWEZNQCLSA-N 2 2 297.443 0.897 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](CC2(C[NH+](C)C)CCCC2)CCN1C ZINC001208186987 803497280 /nfs/dbraw/zinc/49/72/80/803497280.db2.gz DVWNLRHYUCDKDO-AWEZNQCLSA-N 2 2 297.443 0.897 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001208848703 803549536 /nfs/dbraw/zinc/54/95/36/803549536.db2.gz JYSFTRAHRSJTTJ-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP CC[N@@H+]1CCO[C@@H]2C[NH+](CCCOCOC)C[C@@H]2C1 ZINC001209027625 803565490 /nfs/dbraw/zinc/56/54/90/803565490.db2.gz ZBBLGNOWQWWFPO-UONOGXRCSA-N 2 2 272.389 0.650 20 0 CCADLP CC[N@H+]1CCO[C@@H]2C[NH+](CCCOCOC)C[C@@H]2C1 ZINC001209027625 803565494 /nfs/dbraw/zinc/56/54/94/803565494.db2.gz ZBBLGNOWQWWFPO-UONOGXRCSA-N 2 2 272.389 0.650 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@H+](CCCOCOC)C[C@@H]2C1 ZINC001209027625 803565499 /nfs/dbraw/zinc/56/54/99/803565499.db2.gz ZBBLGNOWQWWFPO-UONOGXRCSA-N 2 2 272.389 0.650 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@@H+](CCCOCOC)C[C@@H]2C1 ZINC001209027625 803565503 /nfs/dbraw/zinc/56/55/03/803565503.db2.gz ZBBLGNOWQWWFPO-UONOGXRCSA-N 2 2 272.389 0.650 20 0 CCADLP O=C(N[C@H](C[NH2+]CCF)C1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001276611607 803572139 /nfs/dbraw/zinc/57/21/39/803572139.db2.gz JUOBYMWFEDSPKH-GXTWGEPZSA-N 2 2 294.374 0.899 20 0 CCADLP COC(=O)[C@H]1C[N@H+](Cc2c[nH+]ccc2N)CC12CC2 ZINC001209733296 803625424 /nfs/dbraw/zinc/62/54/24/803625424.db2.gz JSNBTGHRFRWQLH-LLVKDONJSA-N 2 2 261.325 0.879 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](Cc2c[nH+]ccc2N)CC12CC2 ZINC001209733296 803625433 /nfs/dbraw/zinc/62/54/33/803625433.db2.gz JSNBTGHRFRWQLH-LLVKDONJSA-N 2 2 261.325 0.879 20 0 CCADLP CC[C@H](C[NH2+][C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1)OC ZINC001210305215 803646926 /nfs/dbraw/zinc/64/69/26/803646926.db2.gz URWVCEIWBBVJDB-CHWSQXEVSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001215269215 803787801 /nfs/dbraw/zinc/78/78/01/803787801.db2.gz QUAAOTBEDCHPMA-HZSPNIEDSA-N 2 2 294.399 0.745 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CCCF ZINC001215680708 803823319 /nfs/dbraw/zinc/82/33/19/803823319.db2.gz KAMKOOSIEXYSLF-ZYHUDNBSSA-N 2 2 268.336 0.748 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001217009817 803863467 /nfs/dbraw/zinc/86/34/67/803863467.db2.gz GJPADTFVXXBNPX-JHJVBQTASA-N 2 2 280.372 0.355 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])c1nnc([C@H]2CCOC2)o1 ZINC001217693426 803900424 /nfs/dbraw/zinc/90/04/24/803900424.db2.gz LPZAUQUZMRYWBW-WPRPVWTQSA-N 2 2 263.301 0.550 20 0 CCADLP C[C@@H]1C[C@H]1c1nnc(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)o1 ZINC001217697165 803901985 /nfs/dbraw/zinc/90/19/85/803901985.db2.gz WJKQNAKQQSCAQB-QNSHHTMESA-N 2 2 290.327 0.102 20 0 CCADLP CCCc1nnc([C@@H]([NH3+])CN2CCC([NH3+])CC2)o1 ZINC001217757707 803911910 /nfs/dbraw/zinc/91/19/10/803911910.db2.gz REUUGTNOFRTAOI-JTQLQIEISA-N 2 2 253.350 0.445 20 0 CCADLP CC1(C)[NH2+][C@@H](CO[C@H]2CC[NH2+]CC2(F)F)CO1 ZINC001217784041 803913729 /nfs/dbraw/zinc/91/37/29/803913729.db2.gz XYALSAUXDGKFQA-IUCAKERBSA-N 2 2 250.289 0.725 20 0 CCADLP O=C(C[C@H]1COCC[NH2+]1)Nc1cccc2[nH+]ccn21 ZINC001218498970 803965583 /nfs/dbraw/zinc/96/55/83/803965583.db2.gz KDNHAFBSOJMICT-JTQLQIEISA-N 2 2 260.297 0.651 20 0 CCADLP Cc1nc(Cl)cc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)n1 ZINC001218522981 803983937 /nfs/dbraw/zinc/98/39/37/803983937.db2.gz CJRCMDUETUKTND-RWYTXXIDSA-N 2 2 281.747 0.599 20 0 CCADLP COc1ccnc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)c1 ZINC001218528236 803990141 /nfs/dbraw/zinc/99/01/41/803990141.db2.gz OMLQMIIWTWAQRC-BREBYQMCSA-N 2 2 262.313 0.251 20 0 CCADLP Cn1nc2c(c1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)CCC2 ZINC001218527884 803990215 /nfs/dbraw/zinc/99/02/15/803990215.db2.gz KSWZAXDQPBHQRE-JTQLQIEISA-N 2 2 274.328 0.140 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)Nc2ncnn3cccc23)cc1 ZINC001218564240 804009301 /nfs/dbraw/zinc/00/93/01/804009301.db2.gz GHGYZLSPFVXSBB-LBPRGKRZSA-N 2 2 296.334 0.362 20 0 CCADLP Cn1nc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c2ccc(Cl)nc21 ZINC001218573093 804015411 /nfs/dbraw/zinc/01/54/11/804015411.db2.gz RSIPDTJPVQZOAT-YUMQZZPRSA-N 2 2 294.746 0.107 20 0 CCADLP [NH3+]C1(C(=O)Nc2cc(OCC3CC3)n[nH]2)CC[NH2+]CC1 ZINC001218578266 804019644 /nfs/dbraw/zinc/01/96/44/804019644.db2.gz GHVLVUXMOFWIKJ-UHFFFAOYSA-N 2 2 279.344 0.218 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cnc(C(F)(F)F)nc1 ZINC001218585123 804021470 /nfs/dbraw/zinc/02/14/70/804021470.db2.gz MAZRADGSCFNMCW-LURJTMIESA-N 2 2 263.223 0.110 20 0 CCADLP Nc1cc[nH+]c(-c2cc(NC(=O)[C@H]3C[NH2+]C[C@@H]3N)ccn2)c1 ZINC001218613473 804034162 /nfs/dbraw/zinc/03/41/62/804034162.db2.gz PZWFLKJGWHCLCM-RYUDHWBXSA-N 2 2 298.350 0.211 20 0 CCADLP [NH3+]C1(C(=O)Nc2ccc[nH]c2=S)CC[NH2+]CC1 ZINC001218622075 804039161 /nfs/dbraw/zinc/03/91/61/804039161.db2.gz NSIAPUAQDQYOJV-UHFFFAOYSA-N 2 2 252.343 0.390 20 0 CCADLP COc1ccc(C)nc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218661589 804071394 /nfs/dbraw/zinc/07/13/94/804071394.db2.gz MIOHYGXWXHUSNG-BDAKNGLRSA-N 2 2 250.302 0.026 20 0 CCADLP COC(=O)c1c(C)scc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001218666758 804072000 /nfs/dbraw/zinc/07/20/00/804072000.db2.gz DXWOBANCRKWCHW-SFYZADRCSA-N 2 2 283.353 0.471 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cnc(-c3ccc(O)cc3)nc2)C1 ZINC001218702160 804088041 /nfs/dbraw/zinc/08/80/41/804088041.db2.gz MOANXTYLPZJSKP-MFKMUULPSA-N 2 2 299.334 0.477 20 0 CCADLP CCc1cc2ncc(NC(=O)[C@H]([NH3+])Cc3c[nH+]c[nH]3)cn2n1 ZINC001218733545 804098114 /nfs/dbraw/zinc/09/81/14/804098114.db2.gz GSMRTEAGOWBQNC-GFCCVEGCSA-N 2 2 299.338 0.523 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1cc2ccccn2n1 ZINC001218755082 804110999 /nfs/dbraw/zinc/11/09/99/804110999.db2.gz DSDIPNXILZXOAG-LBPRGKRZSA-N 2 2 284.323 0.576 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc(-c2nnco2)c1 ZINC001218861618 804140617 /nfs/dbraw/zinc/14/06/17/804140617.db2.gz JECQDDGDZKBMAI-QWRGUYRKSA-N 2 2 273.296 0.222 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc(O)cc1Br ZINC001219008884 804181809 /nfs/dbraw/zinc/18/18/09/804181809.db2.gz FSTXZCLVWODHAF-QMMMGPOBSA-N 2 2 288.145 0.769 20 0 CCADLP CC[C@@H](C)C[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219543314 804343684 /nfs/dbraw/zinc/34/36/84/804343684.db2.gz HJNLIYFGAZNSAE-UPJWGTAASA-N 2 2 294.399 0.550 20 0 CCADLP CC[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001219543314 804343692 /nfs/dbraw/zinc/34/36/92/804343692.db2.gz HJNLIYFGAZNSAE-UPJWGTAASA-N 2 2 294.399 0.550 20 0 CCADLP C[NH2+][C@H](C(=O)NCCn1cc[nH+]c1)[C@@H](C)OC(C)(C)C ZINC001219563713 804351867 /nfs/dbraw/zinc/35/18/67/804351867.db2.gz JBOMBNWAKOCNDM-NEPJUHHUSA-N 2 2 282.388 0.791 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2ccc3c(c2)CCC3)C1 ZINC001219571796 804355566 /nfs/dbraw/zinc/35/55/66/804355566.db2.gz PYOOAVNHYNOMKI-KGLIPLIRSA-N 2 2 259.353 0.481 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C[NH2+]1 ZINC001219582748 804357393 /nfs/dbraw/zinc/35/73/93/804357393.db2.gz JJQFTJVTTMQUEE-TUAOUCFPSA-N 2 2 262.357 0.702 20 0 CCADLP C[C@H](NC(=O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2)c1ccncc1 ZINC001219600221 804368720 /nfs/dbraw/zinc/36/87/20/804368720.db2.gz LPDLCSYRWKWUKL-VHRBIJSZSA-N 2 2 260.341 0.210 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001219637654 804385581 /nfs/dbraw/zinc/38/55/81/804385581.db2.gz GCHDHJGKCLZUMQ-NWDGAFQWSA-N 2 2 250.346 0.635 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000313231959 804387908 /nfs/dbraw/zinc/38/79/08/804387908.db2.gz OGLTUUGTGQWBOW-CMPLNLGQSA-N 2 2 250.346 0.467 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCCC[C@H]1F ZINC001219671808 804400728 /nfs/dbraw/zinc/40/07/28/804400728.db2.gz QMKGQLUJUQCSAK-OUAUKWLOSA-N 2 2 254.309 0.676 20 0 CCADLP C[C@@H]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001219673358 804401553 /nfs/dbraw/zinc/40/15/53/804401553.db2.gz HQUSDHJQYCCGNJ-PEBLQZBPSA-N 2 2 265.401 0.879 20 0 CCADLP C[C@@H](NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2)c1cnc2ccccn21 ZINC001219700867 804408492 /nfs/dbraw/zinc/40/84/92/804408492.db2.gz GZFUOHQZSLSROY-XHBSWPGZSA-N 2 2 299.378 0.463 20 0 CCADLP C[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])c1nc2ccccc2[nH]1 ZINC001219701833 804409960 /nfs/dbraw/zinc/40/99/60/804409960.db2.gz RLJRDZMGOSXFLQ-GUBZILKMSA-N 2 2 273.340 0.287 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001219915968 804446927 /nfs/dbraw/zinc/44/69/27/804446927.db2.gz GDSIQOQFCLFEIR-GXFFZTMASA-N 3 2 264.373 0.325 20 0 CCADLP C[NH+](C)CCCCCNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001219918288 804448827 /nfs/dbraw/zinc/44/88/27/804448827.db2.gz JKYVDHHDYFQLAJ-LBPRGKRZSA-N 3 2 267.377 0.128 20 0 CCADLP Cc1c[nH]c(CCNC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)[nH+]1 ZINC001219951858 804455056 /nfs/dbraw/zinc/45/50/56/804455056.db2.gz FAWWLAAJSFEPGG-KOLCDFICSA-N 2 2 250.346 0.765 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NCCn2cccc2)cc1 ZINC001219971710 804461313 /nfs/dbraw/zinc/46/13/13/804461313.db2.gz AHDCBQICWCPTLQ-CQSZACIVSA-N 2 2 272.352 0.877 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC2C3CC4CC(C3)CC2C4)C1 ZINC001219989518 804466109 /nfs/dbraw/zinc/46/61/09/804466109.db2.gz DVGUPLIBPKLHRU-DHDOXOPMSA-N 2 2 263.385 0.617 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NCc2cncnc2)cc1 ZINC001220007859 804469461 /nfs/dbraw/zinc/46/94/61/804469461.db2.gz ZKXWIIJLIUQTKG-ZDUSSCGKSA-N 2 2 271.324 0.365 20 0 CCADLP C[NH+]1CC(NC(=O)[C@@H]([NH3+])C2Cc3ccccc3C2)C1 ZINC001220012757 804471796 /nfs/dbraw/zinc/47/17/96/804471796.db2.gz BOOQTXSUOASSKT-AWEZNQCLSA-N 2 2 259.353 0.159 20 0 CCADLP O=C(NCc1cccc2ncccc12)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220039607 804481204 /nfs/dbraw/zinc/48/12/04/804481204.db2.gz LMPDEJWPSAFOLY-SUMWQHHRSA-N 2 2 296.374 0.803 20 0 CCADLP O=C(NC1(c2ccccn2)CC1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220137157 804509630 /nfs/dbraw/zinc/50/96/30/804509630.db2.gz UIDQKWFULCHGPF-SDDRHHMPSA-N 2 2 272.352 0.137 20 0 CCADLP [NH3+][C@@H](CC(F)F)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC001220189081 804532740 /nfs/dbraw/zinc/53/27/40/804532740.db2.gz LHTPVGTVRSXNIG-BQBZGAKWSA-N 2 2 271.258 0.330 20 0 CCADLP O=C(NCC1([NH+]2CCCC2)COC1)[C@@H]1CCCC[NH2+]1 ZINC001220197485 804534606 /nfs/dbraw/zinc/53/46/06/804534606.db2.gz GDDMZVOBDJRCQN-LBPRGKRZSA-N 2 2 267.373 0.110 20 0 CCADLP CC1(C)C[C@H](NC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CCO1 ZINC001220219113 804540759 /nfs/dbraw/zinc/54/07/59/804540759.db2.gz QBYGGPRJZWAKNL-MISXGVKJSA-N 2 2 267.373 0.012 20 0 CCADLP CC[C@@H](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220240473 804547072 /nfs/dbraw/zinc/54/70/72/804547072.db2.gz LQFROAMDYVGIMM-QNWJLWSRSA-N 2 2 253.390 0.877 20 0 CCADLP N[C@H](C[NH+]1CCC([NH3+])CC1)C(=O)NCCC1=CCCCC1 ZINC001220256940 804553743 /nfs/dbraw/zinc/55/37/43/804553743.db2.gz JLOGNGOKEZLXPG-OAHLLOKOSA-N 2 2 294.443 0.744 20 0 CCADLP [NH3+]CCN(C(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)c1cccnc1 ZINC001220263286 804555294 /nfs/dbraw/zinc/55/52/94/804555294.db2.gz FGZJZDYXCACVSY-OAHLLOKOSA-N 3 2 299.378 0.646 20 0 CCADLP Cc1ccc([C@H](C)NC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)nc1 ZINC001220266841 804555513 /nfs/dbraw/zinc/55/55/13/804555513.db2.gz WLPUDXFANHKEQZ-ZOWXZIJZSA-N 2 2 274.368 0.519 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)C[C@@H]([NH3+])C(C)(C)C ZINC001220274411 804557685 /nfs/dbraw/zinc/55/76/85/804557685.db2.gz BENRVSZOBFCSEX-GFCCVEGCSA-N 2 2 282.388 0.909 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)[C@H]([NH3+])c1ccccc1 ZINC001220275463 804557767 /nfs/dbraw/zinc/55/77/67/804557767.db2.gz YUTZHQHLTHCADN-CQSZACIVSA-N 2 2 288.351 0.846 20 0 CCADLP C[C@@H](NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)c1cnn(C)c1 ZINC001220308160 804568465 /nfs/dbraw/zinc/56/84/65/804568465.db2.gz DUPAIVSWNJMFJP-YGRLFVJLSA-N 2 2 287.367 0.870 20 0 CCADLP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001220383790 804588881 /nfs/dbraw/zinc/58/88/81/804588881.db2.gz CYINDCMBHCMSRA-MJBXVCDLSA-N 3 2 288.395 0.668 20 0 CCADLP C[NH+](C)CCC(C)(C)NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220385835 804590935 /nfs/dbraw/zinc/59/09/35/804590935.db2.gz CBZGLNWPXFGTMJ-NSHDSACASA-N 3 2 267.377 0.126 20 0 CCADLP COc1ccc(CCNC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)nc1 ZINC001220396912 804595966 /nfs/dbraw/zinc/59/59/66/804595966.db2.gz QHNPGCWHXOQLRK-CYBMUJFWSA-N 2 2 289.339 0.042 20 0 CCADLP [NH3+][C@@H](CNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)c1ccccc1 ZINC001220501658 804616758 /nfs/dbraw/zinc/61/67/58/804616758.db2.gz SKXSYCQPZRXFKY-STQMWFEESA-N 3 2 273.340 0.096 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)NCC(F)(F)c1ccccn1 ZINC001220569916 804625815 /nfs/dbraw/zinc/62/58/15/804625815.db2.gz UPGGKYIIKUMJSV-SNVBAGLBSA-N 2 2 295.293 0.583 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CNc2ccccc2C1 ZINC001220598835 804635762 /nfs/dbraw/zinc/63/57/62/804635762.db2.gz FBSQDSRRNCZNGX-QWHCGFSZSA-N 2 2 285.351 0.433 20 0 CCADLP O=C(NCc1ccc2ocnc2c1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220678672 804647111 /nfs/dbraw/zinc/64/71/11/804647111.db2.gz IAKMIRMPMUUSNF-WCFLWFBJSA-N 2 2 286.335 0.394 20 0 CCADLP [NH3+]C1(C(=O)N[C@@H](c2cncc(F)c2)C2CC2)CC[NH2+]CC1 ZINC001221049306 804723129 /nfs/dbraw/zinc/72/31/29/804723129.db2.gz RZMZTAFIWVQBBW-CYBMUJFWSA-N 2 2 292.358 0.869 20 0 CCADLP CC[N@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@@H](O)C1 ZINC001221096446 804730244 /nfs/dbraw/zinc/73/02/44/804730244.db2.gz SNVVYXBOFVEQJS-QLFBSQMISA-N 2 2 291.395 0.471 20 0 CCADLP CC[N@@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@@H](O)C1 ZINC001221096446 804730246 /nfs/dbraw/zinc/73/02/46/804730246.db2.gz SNVVYXBOFVEQJS-QLFBSQMISA-N 2 2 291.395 0.471 20 0 CCADLP CC[C@@H](F)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221089925 804730574 /nfs/dbraw/zinc/73/05/74/804730574.db2.gz UTFPEQPVVCUWOG-UPJWGTAASA-N 2 2 289.395 0.236 20 0 CCADLP CC[C@@H](F)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001221089925 804730576 /nfs/dbraw/zinc/73/05/76/804730576.db2.gz UTFPEQPVVCUWOG-UPJWGTAASA-N 2 2 289.395 0.236 20 0 CCADLP CC[C@@H](F)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001221089925 804730580 /nfs/dbraw/zinc/73/05/80/804730580.db2.gz UTFPEQPVVCUWOG-UPJWGTAASA-N 2 2 289.395 0.236 20 0 CCADLP CC[C@@H](F)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221089925 804730582 /nfs/dbraw/zinc/73/05/82/804730582.db2.gz UTFPEQPVVCUWOG-UPJWGTAASA-N 2 2 289.395 0.236 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@@H](c2ncccc2F)C2CC2)C1 ZINC001221218825 804749143 /nfs/dbraw/zinc/74/91/43/804749143.db2.gz GVJAAWHSBXICJH-ADEWGFFLSA-N 2 2 278.331 0.477 20 0 CCADLP C[N@@H+]1CC[C@@H](CNC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)C1 ZINC001221254533 804760091 /nfs/dbraw/zinc/76/00/91/804760091.db2.gz PHBKIYZNLLLRHD-FZMZJTMJSA-N 3 2 276.384 0.327 20 0 CCADLP C[N@H+]1CC[C@@H](CNC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)C1 ZINC001221254533 804760096 /nfs/dbraw/zinc/76/00/96/804760096.db2.gz PHBKIYZNLLLRHD-FZMZJTMJSA-N 3 2 276.384 0.327 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N[C@H]2CCOc3c(F)cc(F)cc32)C1 ZINC001221259916 804760828 /nfs/dbraw/zinc/76/08/28/804760828.db2.gz AWJVREJTGMECGM-ZHAHWJHGSA-N 2 2 297.305 0.594 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCC[C@@H]2COc3ccccc3O2)C1 ZINC001221295740 804769576 /nfs/dbraw/zinc/76/95/76/804769576.db2.gz QCDZIAHNGMJGRH-UTUOFQBUSA-N 2 2 291.351 0.022 20 0 CCADLP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H]([NH3+])c1ccccc1 ZINC001221388990 804799131 /nfs/dbraw/zinc/79/91/31/804799131.db2.gz GWUVLYVAKOBZPV-ZDUSSCGKSA-N 3 2 291.399 0.750 20 0 CCADLP O=C(N[C@@H]1CCc2c1cccc2O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001221394944 804800279 /nfs/dbraw/zinc/80/02/79/804800279.db2.gz JJTIQGPHUCAWBW-CKUKBARFSA-N 2 2 287.363 0.447 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCc2c1cccc2O ZINC001221395317 804802114 /nfs/dbraw/zinc/80/21/14/804802114.db2.gz SDUAXEVBELIKME-STQMWFEESA-N 2 2 286.335 0.789 20 0 CCADLP COCCCC[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222097705 804867467 /nfs/dbraw/zinc/86/74/67/804867467.db2.gz DYEMUHHCWYQWQD-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP CCOCCC[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222099499 804867665 /nfs/dbraw/zinc/86/76/65/804867665.db2.gz YAPRRQXSOIHMON-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1cnc(N)s1)C2 ZINC001276850070 804938964 /nfs/dbraw/zinc/93/89/64/804938964.db2.gz KCEBZXLTODBBEB-UHFFFAOYSA-N 2 2 281.429 0.405 20 0 CCADLP COCCC[NH+]1CCC(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001224672581 805067171 /nfs/dbraw/zinc/06/71/71/805067171.db2.gz KXSNZSSVVIPODH-UHFFFAOYSA-N 2 2 294.399 0.817 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC[N@@H+]1CCO ZINC001088674771 815054623 /nfs/dbraw/zinc/05/46/23/815054623.db2.gz WRFPIVAYEPACOK-BZPMIXESSA-N 2 2 292.383 0.017 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC[N@H+]1CCO ZINC001088674771 815054629 /nfs/dbraw/zinc/05/46/29/815054629.db2.gz WRFPIVAYEPACOK-BZPMIXESSA-N 2 2 292.383 0.017 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[N@@H+]1CCO ZINC001088679301 815056324 /nfs/dbraw/zinc/05/63/24/815056324.db2.gz LUQBUPNVUJRVRO-BZPMIXESSA-N 2 2 292.383 0.017 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[N@H+]1CCO ZINC001088679301 815056329 /nfs/dbraw/zinc/05/63/29/815056329.db2.gz LUQBUPNVUJRVRO-BZPMIXESSA-N 2 2 292.383 0.017 20 0 CCADLP COC[C@H](C)[NH+]1CCC(NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001227138574 805325949 /nfs/dbraw/zinc/32/59/49/805325949.db2.gz OGRNOLCOPRGWBE-LBPRGKRZSA-N 2 2 294.399 0.958 20 0 CCADLP COC(=O)C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)C(=O)OC ZINC001168290209 815079901 /nfs/dbraw/zinc/07/99/01/815079901.db2.gz DSJFXGSPGQSSAA-MCIGGMRASA-N 2 2 286.372 0.554 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](CCF)C[C@H]32)O1 ZINC001075943415 815080213 /nfs/dbraw/zinc/08/02/13/815080213.db2.gz PYVXLLJPUNBJQV-XJFOESAGSA-N 2 2 299.390 0.208 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](CCF)C[C@H]32)O1 ZINC001075943415 815080217 /nfs/dbraw/zinc/08/02/17/815080217.db2.gz PYVXLLJPUNBJQV-XJFOESAGSA-N 2 2 299.390 0.208 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@H+](CCF)C[C@H]32)O1 ZINC001075943415 815080222 /nfs/dbraw/zinc/08/02/22/815080222.db2.gz PYVXLLJPUNBJQV-XJFOESAGSA-N 2 2 299.390 0.208 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCF)C[C@H]32)O1 ZINC001075943415 815080225 /nfs/dbraw/zinc/08/02/25/815080225.db2.gz PYVXLLJPUNBJQV-XJFOESAGSA-N 2 2 299.390 0.208 20 0 CCADLP C[C@H](O)CCC[NH+]1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001229723018 805551099 /nfs/dbraw/zinc/55/10/99/805551099.db2.gz HMWSSMDKZQRKNZ-LBPRGKRZSA-N 2 2 294.399 0.694 20 0 CCADLP Cc1cc(N)[nH+]cc1-c1ccc(N2CC[NH2+]CC2)nn1 ZINC001242070965 806991523 /nfs/dbraw/zinc/99/15/23/806991523.db2.gz PRFXSSABWSWINH-UHFFFAOYSA-N 2 2 270.340 0.839 20 0 CCADLP C[C@H]1CC[C@H](C[NH2+]C[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)C[NH2+]1 ZINC001245971062 807103904 /nfs/dbraw/zinc/10/39/04/807103904.db2.gz DQNFTYCUTPTCLD-PQEBFOHHSA-N 3 2 291.439 0.895 20 0 CCADLP O[C@H](C[NH2+][C@H]1CCC[NH2+]C1)COCC(F)(F)C(F)F ZINC001245979409 807105870 /nfs/dbraw/zinc/10/58/70/807105870.db2.gz JCEVZPIOVCTCBG-DTWKUNHWSA-N 2 2 288.285 0.606 20 0 CCADLP C[C@H]1[NH2+]CCC[C@@H]1C[NH2+]C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001245985031 807106565 /nfs/dbraw/zinc/10/65/65/807106565.db2.gz SECJJXYXCPKUPR-MXASKKJJSA-N 3 2 291.439 0.895 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH2+]C[C@H]1CC[C@@H](C)C[NH2+]1 ZINC001245987831 807108769 /nfs/dbraw/zinc/10/87/69/807108769.db2.gz CIGFEHQBHVXSNN-UTUOFQBUSA-N 2 2 258.362 0.278 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246032313 807126856 /nfs/dbraw/zinc/12/68/56/807126856.db2.gz KAIDAELOEQOFBU-CHWSQXEVSA-N 3 2 257.422 0.796 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246032313 807126858 /nfs/dbraw/zinc/12/68/58/807126858.db2.gz KAIDAELOEQOFBU-CHWSQXEVSA-N 3 2 257.422 0.796 20 0 CCADLP [NH3+][C@]12CC[C@H]1C[N@H+](C[C@H](O)COc1cccc(F)c1)C2 ZINC001246044877 807131709 /nfs/dbraw/zinc/13/17/09/807131709.db2.gz HOUYOPLPJPVYJA-WHOFXGATSA-N 2 2 280.343 0.989 20 0 CCADLP [NH3+][C@]12CC[C@H]1C[N@@H+](C[C@H](O)COc1cccc(F)c1)C2 ZINC001246044877 807131714 /nfs/dbraw/zinc/13/17/14/807131714.db2.gz HOUYOPLPJPVYJA-WHOFXGATSA-N 2 2 280.343 0.989 20 0 CCADLP C[C@H]([NH3+])C[N@H+](C)C[C@@H](O)COc1ccc(F)cc1F ZINC001246059192 807137503 /nfs/dbraw/zinc/13/75/03/807137503.db2.gz NAYQOKHDFWIGQP-GXSJLCMTSA-N 2 2 274.311 0.984 20 0 CCADLP C[C@H]([NH3+])C[N@@H+](C)C[C@@H](O)COc1ccc(F)cc1F ZINC001246059192 807137508 /nfs/dbraw/zinc/13/75/08/807137508.db2.gz NAYQOKHDFWIGQP-GXSJLCMTSA-N 2 2 274.311 0.984 20 0 CCADLP C[N@@H+]1CCC[C@@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001246142604 807165151 /nfs/dbraw/zinc/16/51/51/807165151.db2.gz JKAVPCSKCJMZFZ-HUUCEWRRSA-N 3 2 280.460 0.935 20 0 CCADLP C[N@H+]1CCC[C@@H]([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001246142604 807165154 /nfs/dbraw/zinc/16/51/54/807165154.db2.gz JKAVPCSKCJMZFZ-HUUCEWRRSA-N 3 2 280.460 0.935 20 0 CCADLP C([NH2+][C@@H]1CSC2(C[NH2+]C2)C1)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246148313 807167245 /nfs/dbraw/zinc/16/72/45/807167245.db2.gz RLRFAHICBMOCQJ-OLZOCXBDSA-N 4 2 296.484 0.298 20 0 CCADLP COC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CCN(C2CC2)C(=O)C1 ZINC001246150008 807167302 /nfs/dbraw/zinc/16/73/02/807167302.db2.gz FBTHKMCFSQTZBZ-AAEUAGOBSA-N 2 2 297.399 0.400 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)N1CCc2ccccc21 ZINC001246182501 807179575 /nfs/dbraw/zinc/17/95/75/807179575.db2.gz RFILOSBSCFFNFD-UHFFFAOYSA-N 2 2 259.353 0.917 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH2+][C@@]2(C)CCC[NH2+]C2)CN1 ZINC001246191298 807181432 /nfs/dbraw/zinc/18/14/32/807181432.db2.gz VOKKLHNFHYBPCH-GVXVVHGQSA-N 2 2 255.362 0.012 20 0 CCADLP CCC1(N[C@@H]2C[NH2+][C@H](C(=O)OC(C)(C)C)C2)C[NH2+]C1 ZINC001246240024 807196428 /nfs/dbraw/zinc/19/64/28/807196428.db2.gz ZMYDDJWQHGGUEU-QWRGUYRKSA-N 2 2 269.389 0.400 20 0 CCADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246256982 807199859 /nfs/dbraw/zinc/19/98/59/807199859.db2.gz RAUSELASHAYGCS-CABCVRRESA-N 3 2 280.460 0.790 20 0 CCADLP [NH3+][C@H](C[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)Cc1ccccc1 ZINC001246301500 807213464 /nfs/dbraw/zinc/21/34/64/807213464.db2.gz YHUPWYLNZHYCHV-LSDHHAIUSA-N 3 2 274.412 0.240 20 0 CCADLP COC(=O)c1ccc(C[C@H](C)[NH2+][C@H]2C[NH2+]C[C@H]2CO)cc1 ZINC001246305878 807217608 /nfs/dbraw/zinc/21/76/08/807217608.db2.gz JWKYODCPTQCPLY-CQDKDKBSSA-N 2 2 292.379 0.574 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCCN(C(=O)N(C)C)C2)C[NH2+]1 ZINC001246331355 807223391 /nfs/dbraw/zinc/22/33/91/807223391.db2.gz WBJPOMGNQSXNRE-AGIUHOORSA-N 2 2 268.405 0.863 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)N(C)C)C2)C[NH2+]1 ZINC001246331357 807223574 /nfs/dbraw/zinc/22/35/74/807223574.db2.gz WBJPOMGNQSXNRE-FRRDWIJNSA-N 2 2 268.405 0.863 20 0 CCADLP COC(=O)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246450512 807252478 /nfs/dbraw/zinc/25/24/78/807252478.db2.gz XAJPGBHFWXXTNR-KKOKHZNYSA-N 2 2 256.346 0.295 20 0 CCADLP C[C@@H]1CC[N@@H+]([C@@H]2CN[C@H](C(=O)OC(C)(C)C)C2)C[C@@H]1C[NH3+] ZINC001246552981 807284013 /nfs/dbraw/zinc/28/40/13/807284013.db2.gz QZCUZMKZTJUMGF-RFGFWPKPSA-N 2 2 297.443 0.975 20 0 CCADLP C[C@@H]1CC[N@H+]([C@@H]2CN[C@H](C(=O)OC(C)(C)C)C2)C[C@@H]1C[NH3+] ZINC001246552981 807284018 /nfs/dbraw/zinc/28/40/18/807284018.db2.gz QZCUZMKZTJUMGF-RFGFWPKPSA-N 2 2 297.443 0.975 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)CO1 ZINC001246568913 807293965 /nfs/dbraw/zinc/29/39/65/807293965.db2.gz SZEVALBRTGTWNH-KKOKHZNYSA-N 2 2 256.346 0.376 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2C[C@@H](C)[C@H]([NH3+])C2)CO1 ZINC001246568913 807293972 /nfs/dbraw/zinc/29/39/72/807293972.db2.gz SZEVALBRTGTWNH-KKOKHZNYSA-N 2 2 256.346 0.376 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1O ZINC001246580178 807301467 /nfs/dbraw/zinc/30/14/67/807301467.db2.gz KVQFDDQXFYTALJ-RDJZCZTQSA-N 3 2 289.423 0.902 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1O ZINC001246580178 807301476 /nfs/dbraw/zinc/30/14/76/807301476.db2.gz KVQFDDQXFYTALJ-RDJZCZTQSA-N 3 2 289.423 0.902 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CCN1 ZINC001246589688 807310970 /nfs/dbraw/zinc/31/09/70/807310970.db2.gz TVIZPQRUNYEZRW-RHYQMDGZSA-N 2 2 273.352 0.041 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CCN1 ZINC001246589688 807310975 /nfs/dbraw/zinc/31/09/75/807310975.db2.gz TVIZPQRUNYEZRW-RHYQMDGZSA-N 2 2 273.352 0.041 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H](N2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)C1 ZINC001246618081 807325452 /nfs/dbraw/zinc/32/54/52/807325452.db2.gz JTNMRTXMAGXKMV-QPSCCSFWSA-N 2 2 295.427 0.744 20 0 CCADLP CC1(C)C[C@H]([N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)CC[NH2+]1 ZINC001246642009 807342682 /nfs/dbraw/zinc/34/26/82/807342682.db2.gz KUIIVKNPSHHXRO-OCCSQVGLSA-N 3 2 252.406 0.154 20 0 CCADLP CC1(C)C[C@H]([N@H+]2CCN[C@]3(CC[NH2+]C3)C2)CC[NH2+]1 ZINC001246642009 807342691 /nfs/dbraw/zinc/34/26/91/807342691.db2.gz KUIIVKNPSHHXRO-OCCSQVGLSA-N 3 2 252.406 0.154 20 0 CCADLP CCCC[C@@H]1C[C@H]([N@@H+]2CCN[C@H](C(=O)OC)C2)CC[NH2+]1 ZINC001246693270 807357124 /nfs/dbraw/zinc/35/71/24/807357124.db2.gz HRKOCSKSWYXCRM-MCIONIFRSA-N 2 2 283.416 0.744 20 0 CCADLP CCCC[C@@H]1C[C@H]([N@H+]2CCN[C@H](C(=O)OC)C2)CC[NH2+]1 ZINC001246693270 807357131 /nfs/dbraw/zinc/35/71/31/807357131.db2.gz HRKOCSKSWYXCRM-MCIONIFRSA-N 2 2 283.416 0.744 20 0 CCADLP CN(C)C(=O)[C@@H]1CCO[C@@H]2CC[N@@H+]([C@@H]3CCC[NH2+]C3)C[C@@H]21 ZINC001246705207 807359777 /nfs/dbraw/zinc/35/97/77/807359777.db2.gz SMKIWCDFZRIQKR-KBUPBQIOSA-N 2 2 295.427 0.554 20 0 CCADLP CN(C)C(=O)[C@@H]1CCO[C@@H]2CC[N@H+]([C@@H]3CCC[NH2+]C3)C[C@@H]21 ZINC001246705207 807359786 /nfs/dbraw/zinc/35/97/86/807359786.db2.gz SMKIWCDFZRIQKR-KBUPBQIOSA-N 2 2 295.427 0.554 20 0 CCADLP CC[N@@H+]1CCO[C@@H]2C[NH+]([C@H]3CC[NH2+][C@H](C)C3)C[C@@H]2C1 ZINC001246755923 807369698 /nfs/dbraw/zinc/36/96/98/807369698.db2.gz UPELUFHXOPCOSX-CBBWQLFWSA-N 3 2 267.417 0.779 20 0 CCADLP CC[N@H+]1CCO[C@@H]2C[NH+]([C@H]3CC[NH2+][C@H](C)C3)C[C@@H]2C1 ZINC001246755923 807369703 /nfs/dbraw/zinc/36/97/03/807369703.db2.gz UPELUFHXOPCOSX-CBBWQLFWSA-N 3 2 267.417 0.779 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@@H+]([C@H]3CC[NH2+][C@H](C)C3)C[C@@H]2C1 ZINC001246755923 807369713 /nfs/dbraw/zinc/36/97/13/807369713.db2.gz UPELUFHXOPCOSX-CBBWQLFWSA-N 3 2 267.417 0.779 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@H+]([C@H]3CC[NH2+][C@H](C)C3)C[C@@H]2C1 ZINC001246755923 807369718 /nfs/dbraw/zinc/36/97/18/807369718.db2.gz UPELUFHXOPCOSX-CBBWQLFWSA-N 3 2 267.417 0.779 20 0 CCADLP C[C@@H]1CC[C@H]([NH+]2CCC(C(=O)N3CCOCC3)CC2)C[NH2+]1 ZINC001246782257 807376496 /nfs/dbraw/zinc/37/64/96/807376496.db2.gz RESRQYNWCVELDJ-HIFRSBDPSA-N 2 2 295.427 0.698 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N2CCC[N@@H+]3CCC[C@H]3C2)C[NH2+]1 ZINC001246793560 807381923 /nfs/dbraw/zinc/38/19/23/807381923.db2.gz SZDLAUZZDNMRAR-AVGNSLFASA-N 2 2 267.373 0.060 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N2CCC[N@H+]3CCC[C@H]3C2)C[NH2+]1 ZINC001246793560 807381931 /nfs/dbraw/zinc/38/19/31/807381931.db2.gz SZDLAUZZDNMRAR-AVGNSLFASA-N 2 2 267.373 0.060 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCN(C3CC[NH2+]CC3)CC2)CC[NH2+]1 ZINC001246795418 807384264 /nfs/dbraw/zinc/38/42/64/807384264.db2.gz MKRCMMKZTHDHIF-UKRRQHHQSA-N 3 2 266.433 0.497 20 0 CCADLP O=C([C@H]1CCCC[N@@H+]1C1CC[NH2+]CC1)N1CCOCC1 ZINC001246798247 807384875 /nfs/dbraw/zinc/38/48/75/807384875.db2.gz NFUQMWUAWHYGNI-CQSZACIVSA-N 2 2 281.400 0.452 20 0 CCADLP O=C([C@H]1CCCC[N@H+]1C1CC[NH2+]CC1)N1CCOCC1 ZINC001246798247 807384882 /nfs/dbraw/zinc/38/48/82/807384882.db2.gz NFUQMWUAWHYGNI-CQSZACIVSA-N 2 2 281.400 0.452 20 0 CCADLP C[C@@H]1C[C@@H]([N@H+](C)CCN2CC[NH+](C)CC2)CC[NH2+]1 ZINC001246848992 807405071 /nfs/dbraw/zinc/40/50/71/807405071.db2.gz PGIVILWKMQVLSM-KGLIPLIRSA-N 3 2 254.422 0.306 20 0 CCADLP C[C@@H]1C[C@@H]([N@@H+](C)CCN2CC[NH+](C)CC2)CC[NH2+]1 ZINC001246848992 807405077 /nfs/dbraw/zinc/40/50/77/807405077.db2.gz PGIVILWKMQVLSM-KGLIPLIRSA-N 3 2 254.422 0.306 20 0 CCADLP CS(=O)(=O)C1CCC([N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246851792 807406574 /nfs/dbraw/zinc/40/65/74/807406574.db2.gz HOJPKAFWZOXTHF-WTIISPKJSA-N 2 2 272.414 0.765 20 0 CCADLP CS(=O)(=O)C1CCC([N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001246851792 807406578 /nfs/dbraw/zinc/40/65/78/807406578.db2.gz HOJPKAFWZOXTHF-WTIISPKJSA-N 2 2 272.414 0.765 20 0 CCADLP COC(=O)[C@@H]1COCCC12C[NH+]([C@H]1CC[NH2+][C@@H](C)C1)C2 ZINC001246854934 807407791 /nfs/dbraw/zinc/40/77/91/807407791.db2.gz RMNDWMZDGOTSGF-AVGNSLFASA-N 2 2 282.384 0.638 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1C ZINC001246866774 807414586 /nfs/dbraw/zinc/41/45/86/807414586.db2.gz DLNQSOVXCOJAKC-ZGVCCVRISA-N 2 2 267.373 0.058 20 0 CCADLP COC(=O)[C@H]1C[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1C ZINC001246866774 807414591 /nfs/dbraw/zinc/41/45/91/807414591.db2.gz DLNQSOVXCOJAKC-ZGVCCVRISA-N 2 2 267.373 0.058 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C[NH2+]1 ZINC001246883944 807419131 /nfs/dbraw/zinc/41/91/31/807419131.db2.gz YUIMQANUNBQHHD-XQHKEYJVSA-N 2 2 267.373 0.058 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)C[NH2+]1 ZINC001246883944 807419135 /nfs/dbraw/zinc/41/91/35/807419135.db2.gz YUIMQANUNBQHHD-XQHKEYJVSA-N 2 2 267.373 0.058 20 0 CCADLP CN1CCC2(CC[NH+]([C@@H]3CCC[NH2+]C3)CC2)C1=O ZINC001246893301 807420825 /nfs/dbraw/zinc/42/08/25/807420825.db2.gz IWYGZHZVYHRYDV-GFCCVEGCSA-N 2 2 251.374 0.683 20 0 CCADLP COC(=O)[C@H]([NH3+])[C@@H]1CCCN([C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC001246927575 807430302 /nfs/dbraw/zinc/43/03/02/807430302.db2.gz XAZHXVNAVIMAEE-FDYHWXHSSA-N 2 2 269.389 0.339 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)C[C@H]1[NH3+] ZINC001246935008 807433797 /nfs/dbraw/zinc/43/37/97/807433797.db2.gz WWRYSICGEOFTDW-ZIAGYGMSSA-N 3 2 295.427 0.731 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C2CCC3(CC[NH2+]CC3)CC2)C[C@H]1[NH3+] ZINC001246935008 807433801 /nfs/dbraw/zinc/43/38/01/807433801.db2.gz WWRYSICGEOFTDW-ZIAGYGMSSA-N 3 2 295.427 0.731 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C2C[C@H](C)O[C@@H](C)C2)C[C@H]1[NH3+] ZINC001246932504 807434082 /nfs/dbraw/zinc/43/40/82/807434082.db2.gz PRKDCEPSFOZFCS-GAIPPQHRSA-N 2 2 256.346 0.375 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C2C[C@H](C)O[C@@H](C)C2)C[C@H]1[NH3+] ZINC001246932504 807434087 /nfs/dbraw/zinc/43/40/87/807434087.db2.gz PRKDCEPSFOZFCS-GAIPPQHRSA-N 2 2 256.346 0.375 20 0 CCADLP COC(=O)[C@H]1C[N@@H+]([C@H]2CCC[C@@H](C(=O)OC)CC2)C[C@H]1[NH3+] ZINC001246937797 807435348 /nfs/dbraw/zinc/43/53/48/807435348.db2.gz NZEDLJSRVWYGMF-MROQNXINSA-N 2 2 298.383 0.540 20 0 CCADLP COC(=O)[C@H]1C[N@H+]([C@H]2CCC[C@@H](C(=O)OC)CC2)C[C@H]1[NH3+] ZINC001246937797 807435351 /nfs/dbraw/zinc/43/53/51/807435351.db2.gz NZEDLJSRVWYGMF-MROQNXINSA-N 2 2 298.383 0.540 20 0 CCADLP COC(=O)CCCC[C@H](C)[N@@H+]1C[C@H]([NH3+])[C@H](C(=O)OC)C1 ZINC001246939513 807435844 /nfs/dbraw/zinc/43/58/44/807435844.db2.gz RZPUHWCFRIDZMW-TUAOUCFPSA-N 2 2 286.372 0.540 20 0 CCADLP COC(=O)CCCC[C@H](C)[N@H+]1C[C@H]([NH3+])[C@H](C(=O)OC)C1 ZINC001246939513 807435851 /nfs/dbraw/zinc/43/58/51/807435851.db2.gz RZPUHWCFRIDZMW-TUAOUCFPSA-N 2 2 286.372 0.540 20 0 CCADLP COc1cnc(N2CC[NH+]([C@H]3CC[NH2+][C@@H](C)C3)CC2)nc1 ZINC001246957901 807440658 /nfs/dbraw/zinc/44/06/58/807440658.db2.gz DTMDGPSLGWFCPR-STQMWFEESA-N 2 2 291.399 0.748 20 0 CCADLP CCNC(=O)COC1CC[NH+]([C@H]2CCC[NH2+]C2)CC1 ZINC001246971593 807443597 /nfs/dbraw/zinc/44/35/97/807443597.db2.gz DDEQYRCUEJJGTG-LBPRGKRZSA-N 2 2 269.389 0.356 20 0 CCADLP C[C@@H]([NH3+])c1nc2cc(C(=O)N3CC[NH+](C)CC3)ccc2[nH]1 ZINC001247017192 807454495 /nfs/dbraw/zinc/45/44/95/807454495.db2.gz FWWRQZUTGYMICO-SNVBAGLBSA-N 2 2 287.367 0.970 20 0 CCADLP O[C@H]1C[NH2+]C[C@H]1c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001247712563 807481361 /nfs/dbraw/zinc/48/13/61/807481361.db2.gz VSUVVDNBJSFTKI-OLZOCXBDSA-N 2 2 297.318 0.970 20 0 CCADLP OC1(Cc2nc(-c3ccc(-n4cc[nH+]c4)cc3)no2)C[NH2+]C1 ZINC001247791249 807490894 /nfs/dbraw/zinc/49/08/94/807490894.db2.gz FCXPDKOXHVFCCE-UHFFFAOYSA-N 2 2 297.318 0.799 20 0 CCADLP [NH3+]C[C@H]([NH3+])Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC001249130131 807544364 /nfs/dbraw/zinc/54/43/64/807544364.db2.gz UEZCFWWOFGIACF-SSDOTTSWSA-N 2 2 254.240 0.843 20 0 CCADLP COc1ncc(-c2noc(C[C@@H]([NH3+])C[NH3+])n2)cc1C ZINC001249129129 807544642 /nfs/dbraw/zinc/54/46/42/807544642.db2.gz RBVWYXXMAFZONE-SECBINFHSA-N 2 2 263.301 0.277 20 0 CCADLP Cn1ncc2ccc(-c3noc(C[C@@H]([NH3+])C[NH3+])n3)cc21 ZINC001249129375 807545198 /nfs/dbraw/zinc/54/51/98/807545198.db2.gz NHRZTBPHSQJADO-SNVBAGLBSA-N 2 2 272.312 0.452 20 0 CCADLP CC[N@H+]1C[C@@H]2C[NH+](C[C@H](O)C(F)(F)F)C[C@@H]2C1 ZINC001250976269 807628648 /nfs/dbraw/zinc/62/86/48/807628648.db2.gz AUAJSBKXAUEIQG-AEJSXWLSSA-N 2 2 252.280 0.793 20 0 CCADLP CC[N@@H+]1C[C@@H]2C[NH+](C[C@H](O)C(F)(F)F)C[C@@H]2C1 ZINC001250976269 807628654 /nfs/dbraw/zinc/62/86/54/807628654.db2.gz AUAJSBKXAUEIQG-AEJSXWLSSA-N 2 2 252.280 0.793 20 0 CCADLP CC[NH+]1C[C@@H]2C[N@@H+](C[C@H](O)C(F)(F)F)C[C@@H]2C1 ZINC001250976269 807628658 /nfs/dbraw/zinc/62/86/58/807628658.db2.gz AUAJSBKXAUEIQG-AEJSXWLSSA-N 2 2 252.280 0.793 20 0 CCADLP CC[NH+]1C[C@@H]2C[N@H+](C[C@H](O)C(F)(F)F)C[C@@H]2C1 ZINC001250976269 807628664 /nfs/dbraw/zinc/62/86/64/807628664.db2.gz AUAJSBKXAUEIQG-AEJSXWLSSA-N 2 2 252.280 0.793 20 0 CCADLP O[C@@H](CNc1cc[nH+]c2c1CCC2)C[NH+]1CCOCC1 ZINC001251007880 807638324 /nfs/dbraw/zinc/63/83/24/807638324.db2.gz WBAATHOQECOJFO-LBPRGKRZSA-N 2 2 277.368 0.097 20 0 CCADLP C[N@@H+]1CCN(C[C@H](O)C[NH+]2CCOCC2)C2(CCCC2)C1 ZINC001251023383 807645154 /nfs/dbraw/zinc/64/51/54/807645154.db2.gz KYIUJTMWNFUTTP-OAHLLOKOSA-N 2 2 297.443 0.240 20 0 CCADLP C[N@H+]1CCN(C[C@H](O)C[NH+]2CCOCC2)C2(CCCC2)C1 ZINC001251023383 807645155 /nfs/dbraw/zinc/64/51/55/807645155.db2.gz KYIUJTMWNFUTTP-OAHLLOKOSA-N 2 2 297.443 0.240 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@H+](C)[C@H]1CCCN(C(C)=O)C1 ZINC001253194200 808026945 /nfs/dbraw/zinc/02/69/45/808026945.db2.gz KHKZVZLPIXGOKD-LSDHHAIUSA-N 2 2 285.432 0.632 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@@H+](C)[C@H]1CCCN(C(C)=O)C1 ZINC001253194200 808026951 /nfs/dbraw/zinc/02/69/51/808026951.db2.gz KHKZVZLPIXGOKD-LSDHHAIUSA-N 2 2 285.432 0.632 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC(N2CCCC2=O)CC1 ZINC001253196625 808027932 /nfs/dbraw/zinc/02/79/32/808027932.db2.gz VFWFWUFAIQYPGZ-OAHLLOKOSA-N 2 2 297.443 0.776 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+]CCOc1ccccn1 ZINC001253208463 808030791 /nfs/dbraw/zinc/03/07/91/808030791.db2.gz RCPUSQUPEDBPFH-ZDUSSCGKSA-N 2 2 267.373 0.753 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC001253209415 808032736 /nfs/dbraw/zinc/03/27/36/808032736.db2.gz BXYFJMDQHQTBJD-KBMXLJTQSA-N 2 2 278.396 0.937 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+]C[C@@H](O)c1cccnc1 ZINC001253209153 808032783 /nfs/dbraw/zinc/03/27/83/808032783.db2.gz YLTRGSYOZCDVSJ-UONOGXRCSA-N 2 2 267.373 0.407 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+][C@H](CC(C)C)C(N)=O ZINC001253209066 808033177 /nfs/dbraw/zinc/03/31/77/808033177.db2.gz WUUVMXAXWLABMS-NWDGAFQWSA-N 2 2 259.394 0.179 20 0 CCADLP CC[C@H](C)[C@H]([NH2+]C[C@H](O)C[NH+](CC)CC)C(=O)N(C)C ZINC001253213576 808036805 /nfs/dbraw/zinc/03/68/05/808036805.db2.gz LIRGRVZXAJGRSE-IHRRRGAJSA-N 2 2 287.448 0.782 20 0 CCADLP COCCn1cncc1C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001253406480 808059232 /nfs/dbraw/zinc/05/92/32/808059232.db2.gz MUDNRRQKKLBOMK-ZDUSSCGKSA-N 2 2 284.404 0.368 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH+]1C[C@@H]2C[NH+](CC)C[C@H]2C1 ZINC001253801379 808147735 /nfs/dbraw/zinc/14/77/35/808147735.db2.gz YXRTXAGXZCWGQC-AVGNSLFASA-N 2 2 270.373 0.184 20 0 CCADLP CCOC(=O)CN1CCC([NH2+]CC2C[NH+](C)C2)CC1 ZINC001254396552 808231751 /nfs/dbraw/zinc/23/17/51/808231751.db2.gz VKMKBXCLENEDLP-UHFFFAOYSA-N 2 2 269.389 0.165 20 0 CCADLP CCOC(=O)C[NH+]1CCC(N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001254408965 808236522 /nfs/dbraw/zinc/23/65/22/808236522.db2.gz QAEAPQOZYHAJSM-OAHLLOKOSA-N 2 2 295.427 0.794 20 0 CCADLP CCOC(=O)C[NH+]1CCC(N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC001254408965 808236524 /nfs/dbraw/zinc/23/65/24/808236524.db2.gz QAEAPQOZYHAJSM-OAHLLOKOSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@@H+]1CCC[C@H]([NH2+]C2CC3(C2)CS(=O)(=O)C3)CC1 ZINC001254502001 808246711 /nfs/dbraw/zinc/24/67/11/808246711.db2.gz ATPGAWLMPYALKC-NSHDSACASA-N 2 2 272.414 0.638 20 0 CCADLP C[N@H+]1CCC[C@H]([NH2+]C2CC3(C2)CS(=O)(=O)C3)CC1 ZINC001254502001 808246716 /nfs/dbraw/zinc/24/67/16/808246716.db2.gz ATPGAWLMPYALKC-NSHDSACASA-N 2 2 272.414 0.638 20 0 CCADLP NC(=O)C1(C[NH2+][C@H]2CC3CC[NH+](CC3)C2)CCOCC1 ZINC001254832185 808281962 /nfs/dbraw/zinc/28/19/62/808281962.db2.gz CFDSPDPIPUIXKR-ZDUSSCGKSA-N 2 2 281.400 0.342 20 0 CCADLP O=C1CCC[C@@H]([NH2+][C@@H]2CC3CC[NH+](CC3)C2)CN1 ZINC001254840507 808285222 /nfs/dbraw/zinc/28/52/22/808285222.db2.gz HZHZKYIAMJYDJE-CHWSQXEVSA-N 2 2 251.374 0.729 20 0 CCADLP CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254849683 808286395 /nfs/dbraw/zinc/28/63/95/808286395.db2.gz WIRPOGKPBNGGEU-IHRRRGAJSA-N 2 2 251.374 0.727 20 0 CCADLP C[C@H]1COCCN1CC[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254845503 808286556 /nfs/dbraw/zinc/28/65/56/808286556.db2.gz OEFAKUCKAFJAAL-ZFWWWQNUSA-N 2 2 267.417 0.781 20 0 CCADLP O=C1COC2(CC[NH+]([C@H]3CC4CC[NH+](CC4)C3)CC2)CN1 ZINC001254864508 808292611 /nfs/dbraw/zinc/29/26/11/808292611.db2.gz QTYPUKZBTNIXLZ-AWEZNQCLSA-N 2 2 293.411 0.452 20 0 CCADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)N[C@@H]1CC[N@H+](C)C1 ZINC001255422848 808361017 /nfs/dbraw/zinc/36/10/17/808361017.db2.gz UNXDGFQUQCLAMN-OLZOCXBDSA-N 2 2 280.372 0.188 20 0 CCADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)N[C@@H]1CC[N@@H+](C)C1 ZINC001255422848 808361026 /nfs/dbraw/zinc/36/10/26/808361026.db2.gz UNXDGFQUQCLAMN-OLZOCXBDSA-N 2 2 280.372 0.188 20 0 CCADLP CN(C)C1=[NH+]OC2(C1)CCN([C@H]1CC[N@H+](C)C1)CC2 ZINC001255432980 808365137 /nfs/dbraw/zinc/36/51/37/808365137.db2.gz FOFQIUJOXZBCED-LBPRGKRZSA-N 2 2 266.389 0.821 20 0 CCADLP CN(C)C1=[NH+]OC2(C1)CCN([C@H]1CC[N@@H+](C)C1)CC2 ZINC001255432980 808365147 /nfs/dbraw/zinc/36/51/47/808365147.db2.gz FOFQIUJOXZBCED-LBPRGKRZSA-N 2 2 266.389 0.821 20 0 CCADLP C[C@@]1(CO)C[N@@H+](C2CC[NH+](C3CC3)CC2)CC[C@H]1O ZINC001256076265 808467283 /nfs/dbraw/zinc/46/72/83/808467283.db2.gz XDXQQMACQVYDCD-CABCVRRESA-N 2 2 268.401 0.678 20 0 CCADLP C[C@@]1(CO)C[N@H+](C2CC[NH+](C3CC3)CC2)CC[C@H]1O ZINC001256076265 808467286 /nfs/dbraw/zinc/46/72/86/808467286.db2.gz XDXQQMACQVYDCD-CABCVRRESA-N 2 2 268.401 0.678 20 0 CCADLP O=c1[nH]c(=O)c2c([nH]1)CC[N@@H+](C1CC[NH+](C3CC3)CC1)C2 ZINC001256078970 808469986 /nfs/dbraw/zinc/46/99/86/808469986.db2.gz HKQNGBFMILHBOM-UHFFFAOYSA-N 2 2 290.367 0.873 20 0 CCADLP O=c1[nH]c(=O)c2c([nH]1)CC[N@H+](C1CC[NH+](C3CC3)CC1)C2 ZINC001256078970 808469990 /nfs/dbraw/zinc/46/99/90/808469990.db2.gz HKQNGBFMILHBOM-UHFFFAOYSA-N 2 2 290.367 0.873 20 0 CCADLP C[NH+]1CCC([NH2+][C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC001256195109 808476105 /nfs/dbraw/zinc/47/61/05/808476105.db2.gz ZPAQQJGINUGFIT-OLZOCXBDSA-N 2 2 299.415 0.962 20 0 CCADLP COC(=O)[C@@H](Cc1c[nH+]cn1C)NC1CC[NH+](C)CC1 ZINC001256198780 808477966 /nfs/dbraw/zinc/47/79/66/808477966.db2.gz VGLOYYIOLQNUKA-CYBMUJFWSA-N 2 2 280.372 0.188 20 0 CCADLP O=S1(=O)CCC([NH2+]CCOc2cc[nH+]cc2)CC1 ZINC001256383285 808518090 /nfs/dbraw/zinc/51/80/90/808518090.db2.gz GLEXQAPCZPQFAM-UHFFFAOYSA-N 2 2 270.354 0.627 20 0 CCADLP COC(=O)CC[C@H](C)NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001258356208 808675384 /nfs/dbraw/zinc/67/53/84/808675384.db2.gz RTAZLOAXMSGIDQ-JTQLQIEISA-N 2 2 256.350 0.100 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001263133890 809455985 /nfs/dbraw/zinc/45/59/85/809455985.db2.gz HFZJSEGAFYAOOD-UKKRHICBSA-N 2 2 250.346 0.766 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)CC1([NH3+])CC1 ZINC001263199100 809478873 /nfs/dbraw/zinc/47/88/73/809478873.db2.gz WFTHQJZLQKNSST-LLVKDONJSA-N 2 2 255.362 0.095 20 0 CCADLP COc1cccc([C@H](O)C[NH2+]CC2C[NH+](C)C2)c1 ZINC000379452506 809513419 /nfs/dbraw/zinc/51/34/19/809513419.db2.gz CEHSTNVVVNZCBZ-CQSZACIVSA-N 2 2 250.342 0.880 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000384805726 809614186 /nfs/dbraw/zinc/61/41/86/809614186.db2.gz ZCMYFTFPTSWJAW-KBPBESRZSA-N 2 2 259.353 0.864 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2CC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000384805726 809614187 /nfs/dbraw/zinc/61/41/87/809614187.db2.gz ZCMYFTFPTSWJAW-KBPBESRZSA-N 2 2 259.353 0.864 20 0 CCADLP CC[NH+]1CCC([NH2+]CC(=O)NCC(F)(F)F)CC1 ZINC000387379059 809642574 /nfs/dbraw/zinc/64/25/74/809642574.db2.gz HJVPIZJPZCWCNL-UHFFFAOYSA-N 2 2 267.295 0.739 20 0 CCADLP COCC[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001264484803 809659922 /nfs/dbraw/zinc/65/99/22/809659922.db2.gz ZGJGHHIBTIWNPW-NWDGAFQWSA-N 2 2 280.372 0.473 20 0 CCADLP CCOCCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001265563597 809805426 /nfs/dbraw/zinc/80/54/26/809805426.db2.gz MBXUVCYOQJOOFW-TXEJJXNPSA-N 2 2 280.372 0.616 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H](C[NH2+]CCF)C1 ZINC001265625738 809816225 /nfs/dbraw/zinc/81/62/25/809816225.db2.gz GMKXLTCIYKGRHQ-LLVKDONJSA-N 2 2 268.336 0.750 20 0 CCADLP CCOCCC[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001266023544 809919857 /nfs/dbraw/zinc/91/98/57/809919857.db2.gz OOJUFGOQRREHNX-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(N)=O ZINC000702614842 809931175 /nfs/dbraw/zinc/93/11/75/809931175.db2.gz NWGGRGNJYFMJGD-SWLSCSKDSA-N 2 2 277.368 0.087 20 0 CCADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(N)=O ZINC000702614842 809931178 /nfs/dbraw/zinc/93/11/78/809931178.db2.gz NWGGRGNJYFMJGD-SWLSCSKDSA-N 2 2 277.368 0.087 20 0 CCADLP Cc1nonc1C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001267354179 811200556 /nfs/dbraw/zinc/20/05/56/811200556.db2.gz DHUYFRASAMRRHA-GFCCVEGCSA-N 2 2 281.360 0.020 20 0 CCADLP Cc1nonc1C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001267354179 811200562 /nfs/dbraw/zinc/20/05/62/811200562.db2.gz DHUYFRASAMRRHA-GFCCVEGCSA-N 2 2 281.360 0.020 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1nncs1 ZINC001267458997 811324174 /nfs/dbraw/zinc/32/41/74/811324174.db2.gz WWEYWHGOTIYDDB-UHFFFAOYSA-N 2 2 285.417 0.428 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)CC[NH2+]Cc1nncs1 ZINC001267458997 811324185 /nfs/dbraw/zinc/32/41/85/811324185.db2.gz WWEYWHGOTIYDDB-UHFFFAOYSA-N 2 2 285.417 0.428 20 0 CCADLP CC(C)[C@H](C(=O)NC1C[NH+](CCCF)C1)[NH+](C)C ZINC001267667699 811631373 /nfs/dbraw/zinc/63/13/73/811631373.db2.gz IABNNLLYBHOQBC-GFCCVEGCSA-N 2 2 259.369 0.733 20 0 CCADLP CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001077260289 815469260 /nfs/dbraw/zinc/46/92/60/815469260.db2.gz ASQRYJQLJMSQKT-IACUBPJLSA-N 2 2 292.383 0.017 20 0 CCADLP Cc1nc(NC[C@H](C)N(C)C(=O)CC[NH+](C)C)cc[nH+]1 ZINC001104802076 811726780 /nfs/dbraw/zinc/72/67/80/811726780.db2.gz FMJAYPVJGFEKDQ-NSHDSACASA-N 2 2 279.388 0.996 20 0 CCADLP CC[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CCCO ZINC001267809606 811805231 /nfs/dbraw/zinc/80/52/31/811805231.db2.gz OMAOJCRVJHOAHH-OLZOCXBDSA-N 2 2 294.399 0.312 20 0 CCADLP CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001267811790 811806681 /nfs/dbraw/zinc/80/66/81/811806681.db2.gz XHJMBHNBNZJDNC-NWDGAFQWSA-N 2 2 264.373 0.950 20 0 CCADLP CC(C)C[NH2+]C[C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001268004753 811942096 /nfs/dbraw/zinc/94/20/96/811942096.db2.gz OFMRCIICXGDNBK-LLVKDONJSA-N 2 2 252.362 0.950 20 0 CCADLP CC[NH2+]C[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCOCC2)C1 ZINC001027230271 811975647 /nfs/dbraw/zinc/97/56/47/811975647.db2.gz YENJHWXNAAZYFQ-UKRRQHHQSA-N 2 2 295.427 0.555 20 0 CCADLP C[C@@H](C[NH2+]CCCO)N(C)C(=O)CCc1c[nH+]cn1C ZINC001268097019 812252107 /nfs/dbraw/zinc/25/21/07/812252107.db2.gz WCRQCTROPQBKBH-LBPRGKRZSA-N 2 2 282.388 0.172 20 0 CCADLP C[C@@H](O)CCC[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001268097590 812256782 /nfs/dbraw/zinc/25/67/82/812256782.db2.gz GRJASHNRSPMFLW-CHWSQXEVSA-N 2 2 282.388 0.481 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC([N@H+](CCO)CCF)CC1 ZINC001098514307 812301867 /nfs/dbraw/zinc/30/18/67/812301867.db2.gz OQKWGHDGXNZXNR-UHFFFAOYSA-N 2 2 298.362 0.207 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC([N@@H+](CCO)CCF)CC1 ZINC001098514307 812301878 /nfs/dbraw/zinc/30/18/78/812301878.db2.gz OQKWGHDGXNZXNR-UHFFFAOYSA-N 2 2 298.362 0.207 20 0 CCADLP COCCOCCOCC[N@@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000126018403 812318837 /nfs/dbraw/zinc/31/88/37/812318837.db2.gz PJWMWXKGZIKLAS-ZIAGYGMSSA-N 2 2 274.405 0.725 20 0 CCADLP COCCOCCOCC[N@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000126018403 812318840 /nfs/dbraw/zinc/31/88/40/812318840.db2.gz PJWMWXKGZIKLAS-ZIAGYGMSSA-N 2 2 274.405 0.725 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC1(C[NH2+]CCCO)CC1 ZINC001167900296 812473023 /nfs/dbraw/zinc/47/30/23/812473023.db2.gz GLCVEZSLCVGAHI-UHFFFAOYSA-N 2 2 294.399 0.519 20 0 CCADLP C[C@@H](O)C[NH2+]CC[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001268388891 812538902 /nfs/dbraw/zinc/53/89/02/812538902.db2.gz XWCOUMPFWPZHCD-NWDGAFQWSA-N 2 2 282.388 0.218 20 0 CCADLP C[C@H](CC[NH2+]CC[C@H]1CCOC1)NC(=O)Cn1cc[nH+]c1 ZINC001268428895 812564020 /nfs/dbraw/zinc/56/40/20/812564020.db2.gz AVVZKCRYRZJYRD-KGLIPLIRSA-N 2 2 294.399 0.794 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+]2CCF)C1 ZINC001028329122 812622626 /nfs/dbraw/zinc/62/26/26/812622626.db2.gz GMSGXVDAVZEHFJ-OLZOCXBDSA-N 2 2 287.379 0.257 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+]2CCF)C1 ZINC001028329122 812622630 /nfs/dbraw/zinc/62/26/30/812622630.db2.gz GMSGXVDAVZEHFJ-OLZOCXBDSA-N 2 2 287.379 0.257 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CCF)C1 ZINC001028329122 812622633 /nfs/dbraw/zinc/62/26/33/812622633.db2.gz GMSGXVDAVZEHFJ-OLZOCXBDSA-N 2 2 287.379 0.257 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)NC[C@H]2CCC[N@H+]2CCF)C1 ZINC001028329122 812622637 /nfs/dbraw/zinc/62/26/37/812622637.db2.gz GMSGXVDAVZEHFJ-OLZOCXBDSA-N 2 2 287.379 0.257 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1c1nc(-c2ccc(-n3cccn3)cc2)no1 ZINC001211755319 812669782 /nfs/dbraw/zinc/66/97/82/812669782.db2.gz HEUMXEHEAHMBEO-STQMWFEESA-N 2 2 296.334 0.936 20 0 CCADLP COc1ccnc(-c2noc([C@H]3C[NH2+]C[C@@H]3[NH3+])n2)c1F ZINC001211757770 812687529 /nfs/dbraw/zinc/68/75/29/812687529.db2.gz PNXXQSUBELWEOV-BQBZGAKWSA-N 2 2 279.275 0.293 20 0 CCADLP COCC[N@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001268753433 813066865 /nfs/dbraw/zinc/06/68/65/813066865.db2.gz UTFYCSFXYSAAQK-NSHDSACASA-N 2 2 268.361 0.046 20 0 CCADLP COCC[N@@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001268753433 813066873 /nfs/dbraw/zinc/06/68/73/813066873.db2.gz UTFYCSFXYSAAQK-NSHDSACASA-N 2 2 268.361 0.046 20 0 CCADLP C[C@H](C[N@@H+](C)CC1CC1)NC(=O)Cn1cc[nH+]c1 ZINC001268759175 813071272 /nfs/dbraw/zinc/07/12/72/813071272.db2.gz JOMZLYHGSIYZJU-LLVKDONJSA-N 2 2 250.346 0.730 20 0 CCADLP C[C@H](C[N@H+](C)CC1CC1)NC(=O)Cn1cc[nH+]c1 ZINC001268759175 813071264 /nfs/dbraw/zinc/07/12/64/813071264.db2.gz JOMZLYHGSIYZJU-LLVKDONJSA-N 2 2 250.346 0.730 20 0 CCADLP C[C@@H](O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001268804190 813094814 /nfs/dbraw/zinc/09/48/14/813094814.db2.gz ZFDQBVPWQQSQOE-CHWSQXEVSA-N 2 2 294.399 0.264 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)CCc1[nH]cc[nH+]1)c1cnccn1 ZINC001126436775 813584135 /nfs/dbraw/zinc/58/41/35/813584135.db2.gz LNYIVKMYQAZLAD-LLVKDONJSA-N 2 2 288.355 0.599 20 0 CCADLP CC[C@H](C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1)OC ZINC001126442326 813597412 /nfs/dbraw/zinc/59/74/12/813597412.db2.gz MHZZWOYWJFGECR-LLVKDONJSA-N 2 2 268.361 0.473 20 0 CCADLP CC[C@@H](C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1)OC ZINC001126442327 813597617 /nfs/dbraw/zinc/59/76/17/813597617.db2.gz MHZZWOYWJFGECR-NSHDSACASA-N 2 2 268.361 0.473 20 0 CCADLP C[C@H](O)CCC[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126442351 813597944 /nfs/dbraw/zinc/59/79/44/813597944.db2.gz MZHBGCOFGOWDKH-NSHDSACASA-N 2 2 268.361 0.209 20 0 CCADLP COCC[NH2+]C[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001270105673 813636966 /nfs/dbraw/zinc/63/69/66/813636966.db2.gz RZYHHEWJKCNUIQ-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP C[NH+](C)CCN1CCC12CN(C(=O)CCn1cc[nH+]c1)C2 ZINC001270194712 813672256 /nfs/dbraw/zinc/67/22/56/813672256.db2.gz DAOCZSGHBNSMCE-UHFFFAOYSA-N 2 2 291.399 0.122 20 0 CCADLP C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](CO)n1cc[nH+]c1)CC2 ZINC001270400139 813749485 /nfs/dbraw/zinc/74/94/85/813749485.db2.gz ZAZXIKUDZQTMOW-CYBMUJFWSA-N 2 2 292.383 0.361 20 0 CCADLP C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](CO)n1cc[nH+]c1)CC2 ZINC001270400139 813749490 /nfs/dbraw/zinc/74/94/90/813749490.db2.gz ZAZXIKUDZQTMOW-CYBMUJFWSA-N 2 2 292.383 0.361 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C[NH2+]CCCO ZINC001270443517 813765645 /nfs/dbraw/zinc/76/56/45/813765645.db2.gz HXSKANZBKJDPRY-OLZOCXBDSA-N 2 2 294.399 0.170 20 0 CCADLP CCC(CO)(CO)Nc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001167972228 813863570 /nfs/dbraw/zinc/86/35/70/813863570.db2.gz JWMPAPYSLJLNCJ-CQSZACIVSA-N 2 2 293.411 0.765 20 0 CCADLP CCC(CO)(CO)Nc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001167972228 813863579 /nfs/dbraw/zinc/86/35/79/813863579.db2.gz JWMPAPYSLJLNCJ-CQSZACIVSA-N 2 2 293.411 0.765 20 0 CCADLP Cc1nc(N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc[nH+]1 ZINC001059231362 813975472 /nfs/dbraw/zinc/97/54/72/813975472.db2.gz LGZKLEHTCRHHNC-JHJVBQTASA-N 2 2 289.383 0.796 20 0 CCADLP Cc1nc(N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc[nH+]1 ZINC001059231362 813975476 /nfs/dbraw/zinc/97/54/76/813975476.db2.gz LGZKLEHTCRHHNC-JHJVBQTASA-N 2 2 289.383 0.796 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001029290051 814045437 /nfs/dbraw/zinc/04/54/37/814045437.db2.gz YWOGMPYLYLFOIB-TXEJJXNPSA-N 2 2 278.356 0.010 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001029290051 814045444 /nfs/dbraw/zinc/04/54/44/814045444.db2.gz YWOGMPYLYLFOIB-TXEJJXNPSA-N 2 2 278.356 0.010 20 0 CCADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001270977307 814105371 /nfs/dbraw/zinc/10/53/71/814105371.db2.gz NEQFYUHKEFPFSB-WVMKXHBISA-N 2 2 267.373 0.058 20 0 CCADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001270977307 814105378 /nfs/dbraw/zinc/10/53/78/814105378.db2.gz NEQFYUHKEFPFSB-WVMKXHBISA-N 2 2 267.373 0.058 20 0 CCADLP CCc1cc(NCC[N@H+](C)CCO)nc(CC)[nH+]1 ZINC000895240355 814191414 /nfs/dbraw/zinc/19/14/14/814191414.db2.gz IIRAXGUJCVOGPQ-UHFFFAOYSA-N 2 2 252.362 0.937 20 0 CCADLP CCc1cc(NCC[N@@H+](C)CCO)nc(CC)[nH+]1 ZINC000895240355 814191418 /nfs/dbraw/zinc/19/14/18/814191418.db2.gz IIRAXGUJCVOGPQ-UHFFFAOYSA-N 2 2 252.362 0.937 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1C[C@@H](C)OC ZINC001087847711 814235831 /nfs/dbraw/zinc/23/58/31/814235831.db2.gz NAGHTRXHZSNHGA-HZSPNIEDSA-N 2 2 294.399 0.887 20 0 CCADLP CC[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1C[C@@H](C)OC ZINC001087847711 814235840 /nfs/dbraw/zinc/23/58/40/814235840.db2.gz NAGHTRXHZSNHGA-HZSPNIEDSA-N 2 2 294.399 0.887 20 0 CCADLP C[NH+](C)CCC(=O)NCC1(O)C[NH+](CC2=CCCCC2)C1 ZINC001271349866 814387545 /nfs/dbraw/zinc/38/75/45/814387545.db2.gz KFGPJOZSPJUEDB-UHFFFAOYSA-N 2 2 295.427 0.601 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001088183703 814441527 /nfs/dbraw/zinc/44/15/27/814441527.db2.gz SBUNRDKXNYATMZ-OLZOCXBDSA-N 2 2 292.383 0.033 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1 ZINC001088183703 814441533 /nfs/dbraw/zinc/44/15/33/814441533.db2.gz SBUNRDKXNYATMZ-OLZOCXBDSA-N 2 2 292.383 0.033 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001075866375 814594619 /nfs/dbraw/zinc/59/46/19/814594619.db2.gz COZNLMAQNNXHJL-MBNYWOFBSA-N 2 2 292.383 0.256 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001075866375 814594626 /nfs/dbraw/zinc/59/46/26/814594626.db2.gz COZNLMAQNNXHJL-MBNYWOFBSA-N 2 2 292.383 0.256 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001075866375 814594632 /nfs/dbraw/zinc/59/46/32/814594632.db2.gz COZNLMAQNNXHJL-MBNYWOFBSA-N 2 2 292.383 0.256 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001075866375 814594638 /nfs/dbraw/zinc/59/46/38/814594638.db2.gz COZNLMAQNNXHJL-MBNYWOFBSA-N 2 2 292.383 0.256 20 0 CCADLP C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC001271976064 814658431 /nfs/dbraw/zinc/65/84/31/814658431.db2.gz OACWZOXREBAJBX-XQQFMLRXSA-N 2 2 281.400 0.401 20 0 CCADLP C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC001271976064 814658436 /nfs/dbraw/zinc/65/84/36/814658436.db2.gz OACWZOXREBAJBX-XQQFMLRXSA-N 2 2 281.400 0.401 20 0 CCADLP C[NH+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC001271976064 814658443 /nfs/dbraw/zinc/65/84/43/814658443.db2.gz OACWZOXREBAJBX-XQQFMLRXSA-N 2 2 281.400 0.401 20 0 CCADLP C[NH+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC001271976064 814658445 /nfs/dbraw/zinc/65/84/45/814658445.db2.gz OACWZOXREBAJBX-XQQFMLRXSA-N 2 2 281.400 0.401 20 0 CCADLP COCC[NH+]1CC(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001030305750 815967966 /nfs/dbraw/zinc/96/79/66/815967966.db2.gz CDZUVWVPZCZDCE-TZMCWYRMSA-N 2 2 281.400 0.308 20 0 CCADLP COCC[NH+]1CC(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001030305750 815967970 /nfs/dbraw/zinc/96/79/70/815967970.db2.gz CDZUVWVPZCZDCE-TZMCWYRMSA-N 2 2 281.400 0.308 20 0 CCADLP CC[NH+]1CC(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001030520055 816083625 /nfs/dbraw/zinc/08/36/25/816083625.db2.gz SGPXVUPORBQANM-CHWSQXEVSA-N 2 2 251.374 0.824 20 0 CCADLP CC[NH+]1CC(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001030520055 816083629 /nfs/dbraw/zinc/08/36/29/816083629.db2.gz SGPXVUPORBQANM-CHWSQXEVSA-N 2 2 251.374 0.824 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](C[C@H](C)O)[C@@H]1C ZINC001089006275 816210467 /nfs/dbraw/zinc/21/04/67/816210467.db2.gz WFZPCFWZFCNVFQ-WCQGTBRESA-N 2 2 280.372 0.220 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](C[C@H](C)O)[C@@H]1C ZINC001089006275 816210473 /nfs/dbraw/zinc/21/04/73/816210473.db2.gz WFZPCFWZFCNVFQ-WCQGTBRESA-N 2 2 280.372 0.220 20 0 CCADLP CCC[N@@H+]1CCC[C@@H](C(=O)NC2C[NH+](C[C@@H](C)O)C2)C1 ZINC001030826373 816321871 /nfs/dbraw/zinc/32/18/71/816321871.db2.gz YADRIRMGOLDQHT-CHWSQXEVSA-N 2 2 283.416 0.290 20 0 CCADLP CCC[N@H+]1CCC[C@@H](C(=O)NC2C[NH+](C[C@@H](C)O)C2)C1 ZINC001030826373 816321879 /nfs/dbraw/zinc/32/18/79/816321879.db2.gz YADRIRMGOLDQHT-CHWSQXEVSA-N 2 2 283.416 0.290 20 0 CCADLP CC(C)C[NH+]1CC(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001030832722 816326500 /nfs/dbraw/zinc/32/65/00/816326500.db2.gz IFEKEMLPURDCJT-CQSZACIVSA-N 2 2 283.416 0.552 20 0 CCADLP CC(C)C[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001030832722 816326494 /nfs/dbraw/zinc/32/64/94/816326494.db2.gz IFEKEMLPURDCJT-CQSZACIVSA-N 2 2 283.416 0.552 20 0 CCADLP CCCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001272452272 816440861 /nfs/dbraw/zinc/44/08/61/816440861.db2.gz HOOXJTXQLJWYSK-TZMCWYRMSA-N 2 2 294.399 0.312 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001121939477 816491434 /nfs/dbraw/zinc/49/14/34/816491434.db2.gz KBOOEBYEXQXKAK-WZRBSPASSA-N 2 2 262.357 0.799 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001121939477 816491439 /nfs/dbraw/zinc/49/14/39/816491439.db2.gz KBOOEBYEXQXKAK-WZRBSPASSA-N 2 2 262.357 0.799 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001030960331 816506493 /nfs/dbraw/zinc/50/64/93/816506493.db2.gz RGXLFCXLYLVTDQ-NEPJUHHUSA-N 2 2 269.389 0.164 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001030960331 816506498 /nfs/dbraw/zinc/50/64/98/816506498.db2.gz RGXLFCXLYLVTDQ-NEPJUHHUSA-N 2 2 269.389 0.164 20 0 CCADLP COCC[NH+]1CC(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001031050981 816607795 /nfs/dbraw/zinc/60/77/95/816607795.db2.gz GHCCAUAKUXDLIX-UHFFFAOYSA-N 2 2 269.389 0.165 20 0 CCADLP [NH3+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001122326817 816647943 /nfs/dbraw/zinc/64/79/43/816647943.db2.gz ILKANUQZGNSMDH-SDDRHHMPSA-N 2 2 262.357 0.689 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001106498638 816792861 /nfs/dbraw/zinc/79/28/61/816792861.db2.gz IBGUFFJQHISLIN-MGPQQGTHSA-N 2 2 294.399 0.338 20 0 CCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235157245 816816482 /nfs/dbraw/zinc/81/64/82/816816482.db2.gz CHBZXIPWZMZICL-QPUJVOFHSA-N 2 2 250.302 0.119 20 0 CCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235157245 816816487 /nfs/dbraw/zinc/81/64/87/816816487.db2.gz CHBZXIPWZMZICL-QPUJVOFHSA-N 2 2 250.302 0.119 20 0 CCADLP O=C(NC1C[NH+](CCOC2CCC2)C1)C12CC[NH+](CC1)C2 ZINC001031266566 816915124 /nfs/dbraw/zinc/91/51/24/816915124.db2.gz VKHZCFISSZWAGT-UHFFFAOYSA-N 2 2 293.411 0.452 20 0 CCADLP CC(C)(CN1C[C@H]2CC[C@@]2([NH3+])C1)[NH+]1CCOCC1 ZINC001235977845 816969220 /nfs/dbraw/zinc/96/92/20/816969220.db2.gz IBNFVAQGNZSIMY-TZMCWYRMSA-N 2 2 253.390 0.520 20 0 CCADLP CC(C)(C[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1)N1CCOCC1 ZINC001235977845 816969224 /nfs/dbraw/zinc/96/92/24/816969224.db2.gz IBNFVAQGNZSIMY-TZMCWYRMSA-N 2 2 253.390 0.520 20 0 CCADLP CC(C)(C[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1)N1CCOCC1 ZINC001235977845 816969231 /nfs/dbraw/zinc/96/92/31/816969231.db2.gz IBNFVAQGNZSIMY-TZMCWYRMSA-N 2 2 253.390 0.520 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]CCCO ZINC001106874331 816971330 /nfs/dbraw/zinc/97/13/30/816971330.db2.gz CNSYDCCGCJGLEC-CHWSQXEVSA-N 2 2 294.399 0.029 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]CCF ZINC001106877159 816972050 /nfs/dbraw/zinc/97/20/50/816972050.db2.gz PEUHCHYAFRJWED-VXGBXAGGSA-N 2 2 282.363 0.616 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC1C[NH+](C[C@@H]2CCOC2)C1 ZINC001031390305 817025393 /nfs/dbraw/zinc/02/53/93/817025393.db2.gz KSEOZZJWUWMQJW-LBPRGKRZSA-N 2 2 278.356 0.028 20 0 CCADLP C[C@H]1C[C@@H](C[NH+]2CC(NC(=O)Cn3cc[nH+]c3)C2)CCO1 ZINC001031476620 817072353 /nfs/dbraw/zinc/07/23/53/817072353.db2.gz YMCYPYHNJJLNPZ-STQMWFEESA-N 2 2 292.383 0.499 20 0 CCADLP Cn1cncc1C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001031579713 817158119 /nfs/dbraw/zinc/15/81/19/817158119.db2.gz KRHXGSAGJSTMRB-CQSZACIVSA-N 2 2 291.399 0.062 20 0 CCADLP Cn1cncc1C[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001031579713 817158122 /nfs/dbraw/zinc/15/81/22/817158122.db2.gz KRHXGSAGJSTMRB-CQSZACIVSA-N 2 2 291.399 0.062 20 0 CCADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)o1 ZINC001031585289 817164977 /nfs/dbraw/zinc/16/49/77/817164977.db2.gz VPBHARFBFXKKJS-AWEZNQCLSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)o1 ZINC001031585289 817164981 /nfs/dbraw/zinc/16/49/81/817164981.db2.gz VPBHARFBFXKKJS-AWEZNQCLSA-N 2 2 292.383 0.625 20 0 CCADLP O=C(NCC1C[NH+](CCF)C1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001031668724 817232003 /nfs/dbraw/zinc/23/20/03/817232003.db2.gz MZSDFOXGNWHJAG-KBPBESRZSA-N 2 2 283.391 0.878 20 0 CCADLP O=C(NCC1C[NH+](CCF)C1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001031668724 817232009 /nfs/dbraw/zinc/23/20/09/817232009.db2.gz MZSDFOXGNWHJAG-KBPBESRZSA-N 2 2 283.391 0.878 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C[C@@H]1[NH3+] ZINC001236346445 817273184 /nfs/dbraw/zinc/27/31/84/817273184.db2.gz YUYHHIKLFQTUAQ-OFTGVCEQSA-N 2 2 250.342 0.631 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C[C@@H]1[NH3+] ZINC001236346445 817273193 /nfs/dbraw/zinc/27/31/93/817273193.db2.gz YUYHHIKLFQTUAQ-OFTGVCEQSA-N 2 2 250.342 0.631 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2ncccn2)CC[N@@H+]1C ZINC001127689954 817458823 /nfs/dbraw/zinc/45/88/23/817458823.db2.gz DEEMVOQZXXFNPA-QWHCGFSZSA-N 2 2 291.399 0.413 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]Cc2ncccn2)CC[N@H+]1C ZINC001127689954 817458825 /nfs/dbraw/zinc/45/88/25/817458825.db2.gz DEEMVOQZXXFNPA-QWHCGFSZSA-N 2 2 291.399 0.413 20 0 CCADLP O=C(NCC1C[NH+](CCCO)C1)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001031968196 817505587 /nfs/dbraw/zinc/50/55/87/817505587.db2.gz QQXHQROVJYBSEB-LBPRGKRZSA-N 2 2 292.383 0.260 20 0 CCADLP CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001107816489 818024822 /nfs/dbraw/zinc/02/48/22/818024822.db2.gz DVERMNNDGSIMCY-JSGCOSHPSA-N 2 2 269.389 0.308 20 0 CCADLP CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001107816489 818024829 /nfs/dbraw/zinc/02/48/29/818024829.db2.gz DVERMNNDGSIMCY-JSGCOSHPSA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001107816489 818024838 /nfs/dbraw/zinc/02/48/38/818024838.db2.gz DVERMNNDGSIMCY-JSGCOSHPSA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001107816489 818024848 /nfs/dbraw/zinc/02/48/48/818024848.db2.gz DVERMNNDGSIMCY-JSGCOSHPSA-N 2 2 269.389 0.308 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+]CCF)C12CCC2 ZINC001078735918 818038314 /nfs/dbraw/zinc/03/83/14/818038314.db2.gz AQZCFKFNZCMYAG-NEPJUHHUSA-N 2 2 280.347 0.939 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]CCF)C12CCC2 ZINC001078830365 818056745 /nfs/dbraw/zinc/05/67/45/818056745.db2.gz XZJIEOGDQVZKHD-RYUDHWBXSA-N 2 2 280.347 0.870 20 0 CCADLP c1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCC[NH2+]CC1 ZINC000095234360 818244162 /nfs/dbraw/zinc/24/41/62/818244162.db2.gz BBCHQTVEWWVWIH-UHFFFAOYSA-N 2 2 258.329 0.662 20 0 CCADLP c1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCC[NH2+]CC1 ZINC000095234360 818244169 /nfs/dbraw/zinc/24/41/69/818244169.db2.gz BBCHQTVEWWVWIH-UHFFFAOYSA-N 2 2 258.329 0.662 20 0 CCADLP C[C@@H](CC[NH2+]CCn1cccn1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001273043135 818520191 /nfs/dbraw/zinc/52/01/91/818520191.db2.gz BASSMIPGLWAGNF-LBPRGKRZSA-N 2 2 290.371 0.333 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2nncc3cnccc32)CC1 ZINC001168735293 818535130 /nfs/dbraw/zinc/53/51/30/818535130.db2.gz MKDAJTYEAFZWHA-UHFFFAOYSA-N 2 2 271.328 0.619 20 0 CCADLP Cc1cc(NC(=[NH2+])N2CC[NH+](C)CC2)nc2c1nnn2C ZINC001168735628 818538644 /nfs/dbraw/zinc/53/86/44/818538644.db2.gz UHVUTDQRCKJRFK-UHFFFAOYSA-N 2 2 288.359 0.266 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cnc3ncccc3n2)CC1 ZINC001168737095 818558671 /nfs/dbraw/zinc/55/86/71/818558671.db2.gz VQSOZIJOEADYFA-UHFFFAOYSA-N 2 2 271.328 0.619 20 0 CCADLP COCCOc1cnc(NC(=[NH2+])N2CC[NH+](C)CC2)cn1 ZINC001168740417 818602335 /nfs/dbraw/zinc/60/23/35/818602335.db2.gz INXNHWQMFINMSZ-UHFFFAOYSA-N 2 2 294.359 0.096 20 0 CCADLP CNC(=O)c1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)cc1F ZINC001168740867 818607482 /nfs/dbraw/zinc/60/74/82/818607482.db2.gz PTQQIBBCXIVPRU-UHFFFAOYSA-N 2 2 293.346 0.779 20 0 CCADLP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001033221637 818659044 /nfs/dbraw/zinc/65/90/44/818659044.db2.gz WOKJIJWOHXOFBI-LLVKDONJSA-N 2 2 280.372 0.902 20 0 CCADLP CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001033221637 818659050 /nfs/dbraw/zinc/65/90/50/818659050.db2.gz WOKJIJWOHXOFBI-LLVKDONJSA-N 2 2 280.372 0.902 20 0 CCADLP COCC[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001033704269 818892447 /nfs/dbraw/zinc/89/24/47/818892447.db2.gz RKAIOKQHCTVATB-GFCCVEGCSA-N 2 2 266.345 0.062 20 0 CCADLP C[NH+](C)C1CC([NH2+]Cc2ccc(OCC(N)=O)cc2)C1 ZINC000701474988 818965342 /nfs/dbraw/zinc/96/53/42/818965342.db2.gz ZJFXRUKCSDPYTE-UHFFFAOYSA-N 2 2 277.368 0.733 20 0 CCADLP CC[N@@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034550400 819241618 /nfs/dbraw/zinc/24/16/18/819241618.db2.gz VPXVBPOLGCBPGR-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP CC[N@H+]1CCCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001034550400 819241624 /nfs/dbraw/zinc/24/16/24/819241624.db2.gz VPXVBPOLGCBPGR-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]1C[NH2+]C[C@H]1CCOC1 ZINC001035061944 819387350 /nfs/dbraw/zinc/38/73/50/819387350.db2.gz BRBFRDFRVDHAQZ-TZMCWYRMSA-N 2 2 292.383 0.569 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000705701697 819545665 /nfs/dbraw/zinc/54/56/65/819545665.db2.gz HFYOTNBYXBJYFX-NWANDNLSSA-N 2 2 284.400 0.574 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CCC2(C[NH+](CCO)C2)CC1 ZINC001035718394 819613168 /nfs/dbraw/zinc/61/31/68/819613168.db2.gz JUBZLGPVKOHZRY-UHFFFAOYSA-N 2 2 292.383 0.259 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001036228442 819710818 /nfs/dbraw/zinc/71/08/18/819710818.db2.gz CDRZYJNROAFVRP-GHMZBOCLSA-N 2 2 250.346 0.799 20 0 CCADLP CCc1noc(C[NH+]2CCC(O)(C[NH+](C)C)CC2)n1 ZINC000710658131 819859639 /nfs/dbraw/zinc/85/96/39/819859639.db2.gz OSPOCRBQFYRIPE-UHFFFAOYSA-N 2 2 268.361 0.521 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711279029 819996773 /nfs/dbraw/zinc/99/67/73/819996773.db2.gz FGTRCGQVTKCXKZ-QWRGUYRKSA-N 2 2 250.346 0.633 20 0 CCADLP C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000711676259 820070210 /nfs/dbraw/zinc/07/02/10/820070210.db2.gz SVVQJMXYSOUOLJ-XQHKEYJVSA-N 2 2 272.414 0.636 20 0 CCADLP C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000711676259 820070221 /nfs/dbraw/zinc/07/02/21/820070221.db2.gz SVVQJMXYSOUOLJ-XQHKEYJVSA-N 2 2 272.414 0.636 20 0 CCADLP CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001080784129 820639779 /nfs/dbraw/zinc/63/97/79/820639779.db2.gz IXGTYMCICPRTAL-DGCLKSJQSA-N 2 2 264.373 0.809 20 0 CCADLP CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001080784129 820639783 /nfs/dbraw/zinc/63/97/83/820639783.db2.gz IXGTYMCICPRTAL-DGCLKSJQSA-N 2 2 264.373 0.809 20 0 CCADLP CO[C@@H]1C[N@H+](CC(C)C)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001082326655 820938503 /nfs/dbraw/zinc/93/85/03/820938503.db2.gz MDVCUNOKRCFTGR-ZIAGYGMSSA-N 2 2 294.399 0.434 20 0 CCADLP CO[C@@H]1C[N@@H+](CC(C)C)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001082326655 820938511 /nfs/dbraw/zinc/93/85/11/820938511.db2.gz MDVCUNOKRCFTGR-ZIAGYGMSSA-N 2 2 294.399 0.434 20 0 CCADLP CO[C@@H]1C[N@H+](CCCF)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001082327067 820940338 /nfs/dbraw/zinc/94/03/38/820940338.db2.gz AVYWNXNUBCOSMQ-CHWSQXEVSA-N 2 2 298.362 0.138 20 0 CCADLP CO[C@@H]1C[N@@H+](CCCF)C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001082327067 820940341 /nfs/dbraw/zinc/94/03/41/820940341.db2.gz AVYWNXNUBCOSMQ-CHWSQXEVSA-N 2 2 298.362 0.138 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]C[C@H]1CCOC1 ZINC001082824188 821044474 /nfs/dbraw/zinc/04/44/74/821044474.db2.gz MNJWETANJOABLW-JHJVBQTASA-N 2 2 292.383 0.425 20 0 CCADLP C[C@H](C(=O)N(CC[NH3+])CC(F)(F)F)n1cc[nH+]c1 ZINC001119305020 821098405 /nfs/dbraw/zinc/09/84/05/821098405.db2.gz YZFGVFHIBDSQAT-MRVPVSSYSA-N 2 2 264.251 0.794 20 0 CCADLP CC[N@@H+]1C[C@H]2OCCN(C(=O)CCc3[nH+]ccn3C)[C@H]2C1 ZINC001083151812 821147627 /nfs/dbraw/zinc/14/76/27/821147627.db2.gz VFNYPONIKCZZAN-QWHCGFSZSA-N 2 2 292.383 0.284 20 0 CCADLP CC[N@H+]1C[C@H]2OCCN(C(=O)CCc3[nH+]ccn3C)[C@H]2C1 ZINC001083151812 821147633 /nfs/dbraw/zinc/14/76/33/821147633.db2.gz VFNYPONIKCZZAN-QWHCGFSZSA-N 2 2 292.383 0.284 20 0 CCADLP CC[C@@H](C)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084115329 821195872 /nfs/dbraw/zinc/19/58/72/821195872.db2.gz IEIPMVBPJSVRRO-UPJWGTAASA-N 2 2 280.372 0.091 20 0 CCADLP CC[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001084115329 821195876 /nfs/dbraw/zinc/19/58/76/821195876.db2.gz IEIPMVBPJSVRRO-UPJWGTAASA-N 2 2 280.372 0.091 20 0 CCADLP CN(CC1(C)COC1)c1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001166711067 821295746 /nfs/dbraw/zinc/29/57/46/821295746.db2.gz LKTIOVQBQUGNII-UHFFFAOYSA-N 2 2 276.384 0.964 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[C@H](C[NH2+]CCF)C1 ZINC001279180774 822112909 /nfs/dbraw/zinc/11/29/09/822112909.db2.gz CWXFWRNBZYYNPE-CMPLNLGQSA-N 2 2 282.363 0.914 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)[C@H](C2CC2)[NH+](C)C)o1 ZINC001129437201 837511348 /nfs/dbraw/zinc/51/13/48/837511348.db2.gz XPCJEBXYIHRBBP-ZDUSSCGKSA-N 2 2 295.387 0.178 20 0 CCADLP Cc1noc(C[NH2+]CCNC(=O)CC[C@H]2CCC[N@H+]2C)n1 ZINC001129849860 837568652 /nfs/dbraw/zinc/56/86/52/837568652.db2.gz YBEBVRNZDRGAMZ-GFCCVEGCSA-N 2 2 295.387 0.458 20 0 CCADLP Cc1noc(C[NH2+]CCNC(=O)CC[C@H]2CCC[N@@H+]2C)n1 ZINC001129849860 837568657 /nfs/dbraw/zinc/56/86/57/837568657.db2.gz YBEBVRNZDRGAMZ-GFCCVEGCSA-N 2 2 295.387 0.458 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]Cc1cnsn1 ZINC001129840996 837572120 /nfs/dbraw/zinc/57/21/20/837572120.db2.gz LBZFGJWXFQBFQY-GFCCVEGCSA-N 2 2 297.428 0.618 20 0 CCADLP C[N@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]Cc1cnsn1 ZINC001129840996 837572129 /nfs/dbraw/zinc/57/21/29/837572129.db2.gz LBZFGJWXFQBFQY-GFCCVEGCSA-N 2 2 297.428 0.618 20 0 CCADLP O=C(NCC[NH2+]CC[C@@H]1CCOC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129891633 837576466 /nfs/dbraw/zinc/57/64/66/837576466.db2.gz PUTRODRMGRTMKB-JHJVBQTASA-N 2 2 292.383 0.646 20 0 CCADLP O=C(NCC[NH2+]CC[C@@H]1CCOC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129891633 837576475 /nfs/dbraw/zinc/57/64/75/837576475.db2.gz PUTRODRMGRTMKB-JHJVBQTASA-N 2 2 292.383 0.646 20 0 CCADLP CC(C)C[C@@H](C(=O)NCC[NH2+]CCCO)n1cc[nH+]c1 ZINC001130006324 837613347 /nfs/dbraw/zinc/61/33/47/837613347.db2.gz CASYVFQIZSMWOM-ZDUSSCGKSA-N 2 2 282.388 0.559 20 0 CCADLP O=C(NCC[NH2+]Cc1cnon1)C12CCC[NH+](CCC1)C2 ZINC001130173985 837712289 /nfs/dbraw/zinc/71/22/89/837712289.db2.gz YEHSTOCUSSIPHX-UHFFFAOYSA-N 2 2 293.371 0.151 20 0 CCADLP CCOCCC[NH2+]CCNC(=O)Cc1c[nH+]ccc1OC ZINC001130176302 837712589 /nfs/dbraw/zinc/71/25/89/837712589.db2.gz JYGUXUJZCOYXJH-UHFFFAOYSA-N 2 2 295.383 0.765 20 0 CCADLP O=C(NCC[NH2+]C[C@H]1CCOC1)c1cc2c[nH+]ccc2[nH]1 ZINC001130268623 837745390 /nfs/dbraw/zinc/74/53/90/837745390.db2.gz BGJUPSZNSSMMGB-LLVKDONJSA-N 2 2 288.351 0.919 20 0 CCADLP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1csnn1 ZINC001130419069 837793474 /nfs/dbraw/zinc/79/34/74/837793474.db2.gz KCPZAWYMVVROHF-UHFFFAOYSA-N 2 2 285.417 0.474 20 0 CCADLP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1csnn1 ZINC001130419069 837793480 /nfs/dbraw/zinc/79/34/80/837793480.db2.gz KCPZAWYMVVROHF-UHFFFAOYSA-N 2 2 285.417 0.474 20 0 CCADLP C[C@H](F)CC[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130477147 837801893 /nfs/dbraw/zinc/80/18/93/837801893.db2.gz BPFWUNAKCMSUOU-NWDGAFQWSA-N 2 2 282.363 0.899 20 0 CCADLP O=C(NCC[NH2+]C[C@@H]1CCOC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130481300 837803875 /nfs/dbraw/zinc/80/38/75/837803875.db2.gz OXYFAQNQOTWIFU-QWHCGFSZSA-N 2 2 292.383 0.188 20 0 CCADLP COCCC[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130484484 837808221 /nfs/dbraw/zinc/80/82/21/837808221.db2.gz ONDXHHSLXQCQIQ-LBPRGKRZSA-N 2 2 280.372 0.188 20 0 CCADLP CC[C@H](C[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)OC ZINC001130485041 837809398 /nfs/dbraw/zinc/80/93/98/837809398.db2.gz YZPLQBNSVWEIRW-CHWSQXEVSA-N 2 2 294.399 0.576 20 0 CCADLP Cc1cc(-n2cc(CC[NH3+])cn2)c[nH+]c1N1CCOCC1 ZINC001168947307 836065057 /nfs/dbraw/zinc/06/50/57/836065057.db2.gz WLIUAUAKKBHNTE-UHFFFAOYSA-N 2 2 287.367 0.914 20 0 CCADLP CC(C)Oc1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)ncn1 ZINC001169066455 836122550 /nfs/dbraw/zinc/12/25/50/836122550.db2.gz CUVFDHYOUWUPOC-SNVBAGLBSA-N 2 2 277.328 0.312 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccnc2ccncc21 ZINC001169067684 836124236 /nfs/dbraw/zinc/12/42/36/836124236.db2.gz VXUFHXAWGIVTNL-SNVBAGLBSA-N 2 2 269.308 0.678 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc(OC(F)F)nn1 ZINC001169072711 836125923 /nfs/dbraw/zinc/12/59/23/836125923.db2.gz SUQAAEHUGZSSHY-SSDOTTSWSA-N 2 2 285.254 0.126 20 0 CCADLP Cc1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c2ncnn2c1 ZINC001169073371 836127502 /nfs/dbraw/zinc/12/75/02/836127502.db2.gz GISNWYSDVYTTMX-SNVBAGLBSA-N 2 2 272.312 0.086 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001169098394 836131049 /nfs/dbraw/zinc/13/10/49/836131049.db2.gz HCWXHKQSSUFKLF-ZDEQEGDKSA-N 2 2 272.414 0.636 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)C2 ZINC001169098394 836131052 /nfs/dbraw/zinc/13/10/52/836131052.db2.gz HCWXHKQSSUFKLF-ZDEQEGDKSA-N 2 2 272.414 0.636 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]C/C=C\Cl ZINC001169228635 836163681 /nfs/dbraw/zinc/16/36/81/836163681.db2.gz NKPGNNJAPYIBHZ-IWQZZHSRSA-N 2 2 256.737 0.801 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]Cc1nccs1 ZINC001169204790 836168930 /nfs/dbraw/zinc/16/89/30/836168930.db2.gz QRFBBNABOIKDRI-UHFFFAOYSA-N 2 2 279.369 0.705 20 0 CCADLP CCOC(=O)[C@H]1CC[C@H]([NH2+]CCCn2cc[nH+]c2)CO1 ZINC001169308699 836208494 /nfs/dbraw/zinc/20/84/94/836208494.db2.gz XPOHZVAABDIODT-QWHCGFSZSA-N 2 2 281.356 0.974 20 0 CCADLP CCN(CC)C(=O)C[C@@H](C)NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001169434866 836286681 /nfs/dbraw/zinc/28/66/81/836286681.db2.gz LPZUEPAQKDDHRQ-GFCCVEGCSA-N 2 2 283.420 0.405 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)C1([NH+](C)C)CCC1)c1csnn1 ZINC001129356225 836510194 /nfs/dbraw/zinc/51/01/94/836510194.db2.gz DQJFUCFDFWREOH-SNVBAGLBSA-N 2 2 297.428 0.789 20 0 CCADLP C[NH+]1CC(CNc2[nH+]cnc3[nH]cc([S@](C)=O)c32)C1 ZINC001170249872 837283069 /nfs/dbraw/zinc/28/30/69/837283069.db2.gz QSOSNLQZYHXNSH-IBGZPJMESA-N 2 2 279.369 0.620 20 0 CCADLP CC[C@H](Cc1ccc2c(c1)OCO2)[N@H+](CC[NH3+])CCO ZINC001170412471 837334149 /nfs/dbraw/zinc/33/41/49/837334149.db2.gz QZNOKODLSIOKQW-CYBMUJFWSA-N 2 2 280.368 0.989 20 0 CCADLP CC[C@H](Cc1ccc2c(c1)OCO2)[N@@H+](CC[NH3+])CCO ZINC001170412471 837334158 /nfs/dbraw/zinc/33/41/58/837334158.db2.gz QZNOKODLSIOKQW-CYBMUJFWSA-N 2 2 280.368 0.989 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC001158231901 838001340 /nfs/dbraw/zinc/00/13/40/838001340.db2.gz SMAKRFSUMUCQGX-HZSPNIEDSA-N 3 2 274.368 0.222 20 0 CCADLP COc1c[nH+]c(N[C@H](C)[C@H]2C[NH2+]CCO2)nc1NC1CC1 ZINC001170558363 838077644 /nfs/dbraw/zinc/07/76/44/838077644.db2.gz OGVBZONOUNNWED-MWLCHTKSSA-N 2 2 293.371 0.848 20 0 CCADLP CC[C@H](F)C[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131653354 838167178 /nfs/dbraw/zinc/16/71/78/838167178.db2.gz QAOPXLAPVMFGLT-NSHDSACASA-N 2 2 270.352 0.807 20 0 CCADLP Cc1noc(C)c1C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132079655 838313616 /nfs/dbraw/zinc/31/36/16/838313616.db2.gz GVPLFEMRNHFAKM-UHFFFAOYSA-N 2 2 291.355 0.784 20 0 CCADLP COCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001132222237 838340727 /nfs/dbraw/zinc/34/07/27/838340727.db2.gz VOQUVUNXRWHOHT-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP COCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)CC[C@@H]1C ZINC001132222237 838340733 /nfs/dbraw/zinc/34/07/33/838340733.db2.gz VOQUVUNXRWHOHT-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP Cc1ccnc(C[NH2+]CCNC(=O)C2(C[NH+](C)C)CC2)n1 ZINC001132993052 838532923 /nfs/dbraw/zinc/53/29/23/838532923.db2.gz LNBFNHTVJNBJGG-UHFFFAOYSA-N 2 2 291.399 0.333 20 0 CCADLP C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCF ZINC001133134174 838559159 /nfs/dbraw/zinc/55/91/59/838559159.db2.gz AOTFWZQAVODQCL-NWDGAFQWSA-N 2 2 282.363 0.996 20 0 CCADLP C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]CCO ZINC001133242198 838582056 /nfs/dbraw/zinc/58/20/56/838582056.db2.gz OQJQPVMTHKVYDO-QWHCGFSZSA-N 2 2 294.399 0.029 20 0 CCADLP Cn1cc(Cl)c(C[NH2+]CCNC(=O)CC[NH+](C)C)n1 ZINC001133288231 838589367 /nfs/dbraw/zinc/58/93/67/838589367.db2.gz SLMJXOZJBLNNCO-UHFFFAOYSA-N 2 2 287.795 0.231 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)CC[NH+](C)C)o1 ZINC001133291773 838591150 /nfs/dbraw/zinc/59/11/50/838591150.db2.gz ZQLZXQGUAGPEPZ-SECBINFHSA-N 2 2 269.349 0.097 20 0 CCADLP C[NH+]1CC2(CN(c3cc[nH+]c(N4CCOCC4)n3)C2)C1 ZINC001158866806 838650162 /nfs/dbraw/zinc/65/01/62/838650162.db2.gz YZSGALHIHBILRV-UHFFFAOYSA-N 2 2 275.356 0.065 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)C[N@@H+]2CC[C@H](C)C2)[nH]1 ZINC001133846106 838745015 /nfs/dbraw/zinc/74/50/15/838745015.db2.gz UFKBLNYHPNHTGX-QWRGUYRKSA-N 2 2 294.403 0.222 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]CCNC(=O)C[N@H+]2CC[C@H](C)C2)[nH]1 ZINC001133846106 838745020 /nfs/dbraw/zinc/74/50/20/838745020.db2.gz UFKBLNYHPNHTGX-QWRGUYRKSA-N 2 2 294.403 0.222 20 0 CCADLP C[C@H](C[C@H](C)[NH2+]CCO)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134229476 838913341 /nfs/dbraw/zinc/91/33/41/838913341.db2.gz UBWOVTJREPGDBC-WDEREUQCSA-N 2 2 268.361 0.208 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]CC[C@H]1CCCO1 ZINC001134393108 838964184 /nfs/dbraw/zinc/96/41/84/838964184.db2.gz JUJNEKUMLJYGJT-GFCCVEGCSA-N 2 2 266.345 0.227 20 0 CCADLP CCOCCC[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134396873 838967710 /nfs/dbraw/zinc/96/77/10/838967710.db2.gz GZDIMEKOXZTXGJ-UHFFFAOYSA-N 2 2 254.334 0.085 20 0 CCADLP CC(C)NC(=O)C[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001134498809 838994029 /nfs/dbraw/zinc/99/40/29/838994029.db2.gz PGAPJMQVQPXIRR-GFCCVEGCSA-N 2 2 295.387 0.065 20 0 CCADLP C[C@H](CC(=O)NCC[NH2+]CCC[C@H](C)O)n1cc[nH+]c1 ZINC001134498248 838995181 /nfs/dbraw/zinc/99/51/81/838995181.db2.gz BEFPDSAOBZVYPO-OLZOCXBDSA-N 2 2 282.388 0.701 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]C[C@H]1CCCOC1 ZINC001135080095 839157231 /nfs/dbraw/zinc/15/72/31/839157231.db2.gz KVPWJJHIEJLMEI-QWHCGFSZSA-N 2 2 294.399 0.721 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]C[C@H]1CCCOC1 ZINC001135080095 839157239 /nfs/dbraw/zinc/15/72/39/839157239.db2.gz KVPWJJHIEJLMEI-QWHCGFSZSA-N 2 2 294.399 0.721 20 0 CCADLP C[C@H](C[C@H](C)NC(=O)CCn1cc[nH+]c1)[NH2+]CCCO ZINC001135137332 839168273 /nfs/dbraw/zinc/16/82/73/839168273.db2.gz OXWHVTRLBCYNMV-OLZOCXBDSA-N 2 2 282.388 0.529 20 0 CCADLP C[C@H](C[C@H](C)[NH2+]CCCO)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135552546 839291670 /nfs/dbraw/zinc/29/16/70/839291670.db2.gz HODIHYDFXUGVAA-WDEREUQCSA-N 2 2 268.361 0.208 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]Cc1ccccc1F ZINC001135754800 839384535 /nfs/dbraw/zinc/38/45/35/839384535.db2.gz IHNKDPXOKAVIPH-UHFFFAOYSA-N 2 2 276.315 0.997 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[NH2+]C[C@@H](O)c1ccccc1 ZINC001135757601 839393189 /nfs/dbraw/zinc/39/31/89/839393189.db2.gz HHYXVZZDYOPFHX-CYBMUJFWSA-N 2 2 288.351 0.392 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C[NH2+]CCO)[C@@H](C)C1 ZINC001185571434 844432745 /nfs/dbraw/zinc/43/27/45/844432745.db2.gz COVTWUXBKBXXIU-AAEUAGOBSA-N 2 2 294.399 0.327 20 0 CCADLP COCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136032084 839499995 /nfs/dbraw/zinc/49/99/95/839499995.db2.gz VYYHPXZFFRIGLF-QWRGUYRKSA-N 2 2 282.388 0.780 20 0 CCADLP F[C@@]1(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCCC[NH2+]C1 ZINC001246111469 839622334 /nfs/dbraw/zinc/62/23/34/839622334.db2.gz JCSRKVIHQHVPLH-OLZOCXBDSA-N 3 2 270.396 0.152 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)cn2)CC[NH2+]1 ZINC001246119099 839628918 /nfs/dbraw/zinc/62/89/18/839628918.db2.gz BIUWHDJXDYMKFJ-QWRGUYRKSA-N 2 2 283.397 0.715 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C[C@@H]1C(=O)OC ZINC001246126802 839632736 /nfs/dbraw/zinc/63/27/36/839632736.db2.gz JVACDSNTBOJBFI-FIQHERPVSA-N 2 2 284.356 0.069 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Nc2cccc(F)c2C[NH3+])C[NH2+]1 ZINC001246168565 839659082 /nfs/dbraw/zinc/65/90/82/839659082.db2.gz FSFFHOIHMQIGPF-UFBFGSQYSA-N 2 2 267.304 0.600 20 0 CCADLP COCC[N@@H+]1CC[C@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001273509169 844459995 /nfs/dbraw/zinc/45/99/95/844459995.db2.gz RVLZTGGLYFTFLM-HNNXBMFYSA-N 2 2 292.383 0.491 20 0 CCADLP COCC[N@H+]1CC[C@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001273509169 844459999 /nfs/dbraw/zinc/45/99/99/844459999.db2.gz RVLZTGGLYFTFLM-HNNXBMFYSA-N 2 2 292.383 0.491 20 0 CCADLP CC[N@@H+]1CC[C@H]1C(=O)NCC[NH+]1CCSCC1 ZINC001136727791 839738845 /nfs/dbraw/zinc/73/88/45/839738845.db2.gz ZFTWTTCLOMESKT-NSHDSACASA-N 2 2 257.403 0.246 20 0 CCADLP CC[N@H+]1CC[C@H]1C(=O)NCC[NH+]1CCSCC1 ZINC001136727791 839738859 /nfs/dbraw/zinc/73/88/59/839738859.db2.gz ZFTWTTCLOMESKT-NSHDSACASA-N 2 2 257.403 0.246 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H](NC[C@@H]([NH3+])CC(C)C)C[NH2+]1 ZINC001246308023 839781458 /nfs/dbraw/zinc/78/14/58/839781458.db2.gz GGIOYEPOEXZJDE-SGMGOOAPSA-N 2 2 271.405 0.633 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CCCF)C[C@H]1O ZINC001090763744 839784735 /nfs/dbraw/zinc/78/47/35/839784735.db2.gz LHFHXEJTKQRZNH-DGCLKSJQSA-N 2 2 298.362 0.172 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CCCF)C[C@H]1O ZINC001090763744 839784743 /nfs/dbraw/zinc/78/47/43/839784743.db2.gz LHFHXEJTKQRZNH-DGCLKSJQSA-N 2 2 298.362 0.172 20 0 CCADLP CC(C)C(=O)N1CC[C@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC001246364316 839821535 /nfs/dbraw/zinc/82/15/35/839821535.db2.gz VNLUCABDILYODS-AVGNSLFASA-N 2 2 253.390 0.973 20 0 CCADLP [NH3+][C@H]1NC(CN2C[C@@H]([NH3+])CC(F)(F)C2)=CS1 ZINC001206117603 839984953 /nfs/dbraw/zinc/98/49/53/839984953.db2.gz ROBHPJLAFGFDCJ-XPUUQOCRSA-N 2 2 250.318 0.075 20 0 CCADLP CN(CCc1cccs1)C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160531148 839987471 /nfs/dbraw/zinc/98/74/71/839987471.db2.gz GUWXHUFASRSJHC-RISCZKNCSA-N 2 2 279.409 0.701 20 0 CCADLP C[C@@H]1CCN(C2C[C@@H]3COC[C@H](C2)[N@@H+]3C)C[C@@H]1[NH3+] ZINC001246563682 840032534 /nfs/dbraw/zinc/03/25/34/840032534.db2.gz LIKFTWYQYFPYGC-JWURUJNWSA-N 2 2 253.390 0.517 20 0 CCADLP C[C@@H]1CCN(C2C[C@@H]3COC[C@H](C2)[N@H+]3C)C[C@@H]1[NH3+] ZINC001246563682 840032538 /nfs/dbraw/zinc/03/25/38/840032538.db2.gz LIKFTWYQYFPYGC-JWURUJNWSA-N 2 2 253.390 0.517 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]CCOC1CCC1 ZINC001171238080 840177687 /nfs/dbraw/zinc/17/76/87/840177687.db2.gz LLCJDCXOGRWJIA-UHFFFAOYSA-N 2 2 294.399 0.628 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]Cc1ccccn1 ZINC001171238928 840178965 /nfs/dbraw/zinc/17/89/65/840178965.db2.gz SVTZUZGKICSAEO-UHFFFAOYSA-N 2 2 287.367 0.654 20 0 CCADLP C[C@H]1C[C@@H]([NH+]2CCN(c3cccnn3)CC2)CC[NH2+]1 ZINC001246813714 840260181 /nfs/dbraw/zinc/26/01/81/840260181.db2.gz PDACKUGZKFQYRA-STQMWFEESA-N 2 2 261.373 0.739 20 0 CCADLP O=C(NCC[NH2+]CCO)c1cccc(-n2cc[nH+]c2)c1 ZINC001146474770 840313351 /nfs/dbraw/zinc/31/33/51/840313351.db2.gz ZERWYKSTBNPRDK-UHFFFAOYSA-N 2 2 274.324 0.184 20 0 CCADLP Cn1cc[nH+]c1CCNC(=O)[C@H]1CCC[N@H+](C)C1 ZINC001186369557 844544207 /nfs/dbraw/zinc/54/42/07/844544207.db2.gz CEWGPGXYPMRTDD-NSHDSACASA-N 2 2 250.346 0.421 20 0 CCADLP Cn1cc[nH+]c1CCNC(=O)[C@H]1CCC[N@@H+](C)C1 ZINC001186369557 844544212 /nfs/dbraw/zinc/54/42/12/844544212.db2.gz CEWGPGXYPMRTDD-NSHDSACASA-N 2 2 250.346 0.421 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001149124881 840609209 /nfs/dbraw/zinc/60/92/09/840609209.db2.gz WXOFLAZHPBWOCS-GFCCVEGCSA-N 2 2 294.399 0.782 20 0 CCADLP COC[C@@H](C)OC[C@H](O)C[N@@H+]1CCCC[C@@H]1C[NH3+] ZINC000234832646 840691469 /nfs/dbraw/zinc/69/14/69/840691469.db2.gz KOTVXYOIBSFDQG-JHJVBQTASA-N 2 2 260.378 0.212 20 0 CCADLP COC[C@@H](C)OC[C@H](O)C[N@H+]1CCCC[C@@H]1C[NH3+] ZINC000234832646 840691477 /nfs/dbraw/zinc/69/14/77/840691477.db2.gz KOTVXYOIBSFDQG-JHJVBQTASA-N 2 2 260.378 0.212 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]Cc1ccc(F)cn1 ZINC001147900524 840719262 /nfs/dbraw/zinc/71/92/62/840719262.db2.gz PEWYGLIHXZSCOK-UHFFFAOYSA-N 2 2 291.330 0.403 20 0 CCADLP COCCC[N@@H+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001148486127 840822614 /nfs/dbraw/zinc/82/26/14/840822614.db2.gz YCISBUZJOBLOJH-UHFFFAOYSA-N 2 2 292.383 0.523 20 0 CCADLP COCCC[N@H+]1CCC2(CN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001148486127 840822626 /nfs/dbraw/zinc/82/26/26/840822626.db2.gz YCISBUZJOBLOJH-UHFFFAOYSA-N 2 2 292.383 0.523 20 0 CCADLP CCC[N@H+](C)CCC(=O)NCC[NH2+]Cc1cnsn1 ZINC001148570821 840838968 /nfs/dbraw/zinc/83/89/68/840838968.db2.gz NDGFXQSIBOLIOE-UHFFFAOYSA-N 2 2 285.417 0.476 20 0 CCADLP CCC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1cnsn1 ZINC001148570821 840838978 /nfs/dbraw/zinc/83/89/78/840838978.db2.gz NDGFXQSIBOLIOE-UHFFFAOYSA-N 2 2 285.417 0.476 20 0 CCADLP CCC[N@H+](C)CCC(=O)NCC[NH2+]Cc1csnn1 ZINC001148571039 840841922 /nfs/dbraw/zinc/84/19/22/840841922.db2.gz SVJVXYNDBHGSKI-UHFFFAOYSA-N 2 2 285.417 0.476 20 0 CCADLP CCC[N@@H+](C)CCC(=O)NCC[NH2+]Cc1csnn1 ZINC001148571039 840841933 /nfs/dbraw/zinc/84/19/33/840841933.db2.gz SVJVXYNDBHGSKI-UHFFFAOYSA-N 2 2 285.417 0.476 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1nc(CC)no1 ZINC001148655597 840869536 /nfs/dbraw/zinc/86/95/36/840869536.db2.gz PCENVXPZIHQHOZ-NSHDSACASA-N 2 2 297.403 0.741 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1nc(CC)no1 ZINC001148655597 840869543 /nfs/dbraw/zinc/86/95/43/840869543.db2.gz PCENVXPZIHQHOZ-NSHDSACASA-N 2 2 297.403 0.741 20 0 CCADLP CCN(CC[NH2+]Cc1cnon1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001273456470 840954070 /nfs/dbraw/zinc/95/40/70/840954070.db2.gz AVTZMIMCBKJJJD-ZDUSSCGKSA-N 2 2 295.387 0.492 20 0 CCADLP CCN(CC[NH2+]Cc1cnon1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001273456470 840954074 /nfs/dbraw/zinc/95/40/74/840954074.db2.gz AVTZMIMCBKJJJD-ZDUSSCGKSA-N 2 2 295.387 0.492 20 0 CCADLP C[C@@H](F)CC[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149571155 840965007 /nfs/dbraw/zinc/96/50/07/840965007.db2.gz QXTCFJUKRPNZKZ-LLVKDONJSA-N 2 2 270.352 0.807 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@@H]2[C@@H](CC[N@H+]2CCO)C1 ZINC001036786637 841218128 /nfs/dbraw/zinc/21/81/28/841218128.db2.gz YOPOPNQPNODPNW-UONOGXRCSA-N 2 2 292.383 0.188 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCO)C1 ZINC001036786637 841218132 /nfs/dbraw/zinc/21/81/32/841218132.db2.gz YOPOPNQPNODPNW-UONOGXRCSA-N 2 2 292.383 0.188 20 0 CCADLP O=S1(=O)CCCN1CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000715013338 841243669 /nfs/dbraw/zinc/24/36/69/841243669.db2.gz RQPSIINCHYJGSW-STQMWFEESA-N 2 2 287.429 0.096 20 0 CCADLP O=S1(=O)CCCN1CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000715013338 841243677 /nfs/dbraw/zinc/24/36/77/841243677.db2.gz RQPSIINCHYJGSW-STQMWFEESA-N 2 2 287.429 0.096 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCO)C1 ZINC001036881183 841645297 /nfs/dbraw/zinc/64/52/97/841645297.db2.gz QXNWWANBDPUXKP-GXTWGEPZSA-N 2 2 292.383 0.176 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CCO)C1 ZINC001036881183 841645302 /nfs/dbraw/zinc/64/53/02/841645302.db2.gz QXNWWANBDPUXKP-GXTWGEPZSA-N 2 2 292.383 0.176 20 0 CCADLP O=C1C[C@@H]([NH2+]CC[NH+]2CCCC2)CCN1C1CC1 ZINC001172000068 841782109 /nfs/dbraw/zinc/78/21/09/841782109.db2.gz ZNLWWLNQFYPUNV-LBPRGKRZSA-N 2 2 251.374 0.825 20 0 CCADLP CNC(=O)N1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172127674 841836891 /nfs/dbraw/zinc/83/68/91/841836891.db2.gz JHFNZLOVNPFNSV-BTTYYORXSA-N 2 2 280.416 0.959 20 0 CCADLP CNC(=O)N1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172127674 841836904 /nfs/dbraw/zinc/83/69/04/841836904.db2.gz JHFNZLOVNPFNSV-BTTYYORXSA-N 2 2 280.416 0.959 20 0 CCADLP COC(=O)[C@H]1C[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCO1 ZINC001172119996 841851934 /nfs/dbraw/zinc/85/19/34/841851934.db2.gz IGBXCCQBBNDVJL-ZOBORPQBSA-N 2 2 282.384 0.876 20 0 CCADLP COC(=O)[C@H]1C[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCO1 ZINC001172119996 841851936 /nfs/dbraw/zinc/85/19/36/841851936.db2.gz IGBXCCQBBNDVJL-ZOBORPQBSA-N 2 2 282.384 0.876 20 0 CCADLP COC(=O)[C@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCO1 ZINC001172119996 841851943 /nfs/dbraw/zinc/85/19/43/841851943.db2.gz IGBXCCQBBNDVJL-ZOBORPQBSA-N 2 2 282.384 0.876 20 0 CCADLP COC(=O)[C@H]1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCO1 ZINC001172119996 841851950 /nfs/dbraw/zinc/85/19/50/841851950.db2.gz IGBXCCQBBNDVJL-ZOBORPQBSA-N 2 2 282.384 0.876 20 0 CCADLP O=C1CC[C@@H]2C[C@@H]([NH2+]CC[NH+]3CCCC3)CCN12 ZINC001172149028 841862384 /nfs/dbraw/zinc/86/23/84/841862384.db2.gz XJABMURCWWTQSK-QWHCGFSZSA-N 2 2 251.374 0.825 20 0 CCADLP C[NH+]1CCC(CO)([NH2+][C@@H]2CCN3C(=O)CC[C@H]3C2)CC1 ZINC001172167324 841880605 /nfs/dbraw/zinc/88/06/05/841880605.db2.gz VOMWYNMFVSHANM-OLZOCXBDSA-N 2 2 281.400 0.186 20 0 CCADLP COCCC[NH+]1CCC([NH2+]CCN2CCC(O)CC2)CC1 ZINC001172247616 841909043 /nfs/dbraw/zinc/90/90/43/841909043.db2.gz RDBLOPNVWOXDGQ-UHFFFAOYSA-N 2 2 299.459 0.534 20 0 CCADLP COCCC[NH+]1CCC(NCC[NH+]2CCC(O)CC2)CC1 ZINC001172247616 841909055 /nfs/dbraw/zinc/90/90/55/841909055.db2.gz RDBLOPNVWOXDGQ-UHFFFAOYSA-N 2 2 299.459 0.534 20 0 CCADLP COC(=O)[C@H]1CCC[C@@H]([NH2+]C2(CO)CC[NH+](C)CC2)C1 ZINC001172610859 841944244 /nfs/dbraw/zinc/94/42/44/841944244.db2.gz KVAACPVLHZLBTA-QWHCGFSZSA-N 2 2 284.400 0.765 20 0 CCADLP COC(=O)[C@@H]1CCC[C@@H]([NH2+]C2(C[NH3+])COC2)CC1 ZINC001172772945 841973887 /nfs/dbraw/zinc/97/38/87/841973887.db2.gz PUYVNBLBCQXJJU-GHMZBOCLSA-N 2 2 256.346 0.426 20 0 CCADLP COc1nccc(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)n1 ZINC001206175058 841975084 /nfs/dbraw/zinc/97/50/84/841975084.db2.gz RMKFLJCCRDLDTF-MNOVXSKESA-N 2 2 254.309 0.746 20 0 CCADLP COc1nccc(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)n1 ZINC001206175058 841975093 /nfs/dbraw/zinc/97/50/93/841975093.db2.gz RMKFLJCCRDLDTF-MNOVXSKESA-N 2 2 254.309 0.746 20 0 CCADLP Cc1nc(N[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)cc[nH+]1 ZINC001095079522 842027529 /nfs/dbraw/zinc/02/75/29/842027529.db2.gz AFRKQFVYRPCBLD-GFCCVEGCSA-N 2 2 277.372 0.750 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](C2CCN(CC(F)(F)F)CC2)CCO1 ZINC001173657721 842125127 /nfs/dbraw/zinc/12/51/27/842125127.db2.gz KAOJPDSMULJROS-LLVKDONJSA-N 2 2 281.322 0.673 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](C2CCN(CC(F)(F)F)CC2)CCO1 ZINC001173657721 842125132 /nfs/dbraw/zinc/12/51/32/842125132.db2.gz KAOJPDSMULJROS-LLVKDONJSA-N 2 2 281.322 0.673 20 0 CCADLP [NH3+]CC[N@H+](CCO)C1CCN(CC(F)(F)F)CC1 ZINC001173658412 842125869 /nfs/dbraw/zinc/12/58/69/842125869.db2.gz OWNMDAVJCAIGIU-UHFFFAOYSA-N 2 2 269.311 0.266 20 0 CCADLP [NH3+]CC[N@@H+](CCO)C1CCN(CC(F)(F)F)CC1 ZINC001173658412 842125880 /nfs/dbraw/zinc/12/58/80/842125880.db2.gz OWNMDAVJCAIGIU-UHFFFAOYSA-N 2 2 269.311 0.266 20 0 CCADLP CC[C@H](C[NH2+]CCCNC(=O)CCc1c[nH+]cn1C)OC ZINC001175003950 842223980 /nfs/dbraw/zinc/22/39/80/842223980.db2.gz YHSCBZQUGFZZQS-CQSZACIVSA-N 2 2 296.415 0.874 20 0 CCADLP C[C@H](O)C[NH2+]CCCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175881590 842290054 /nfs/dbraw/zinc/29/00/54/842290054.db2.gz RGICTYZVMNCQLM-RYUDHWBXSA-N 2 2 282.388 0.598 20 0 CCADLP C[C@@H](CCCC[NH2+]CCO)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175881807 842290147 /nfs/dbraw/zinc/29/01/47/842290147.db2.gz WZILPTYPQVVLOV-NSHDSACASA-N 2 2 268.361 0.209 20 0 CCADLP COCC[NH2+]CCCC[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001176167020 842334050 /nfs/dbraw/zinc/33/40/50/842334050.db2.gz VZEJCWWVKNINSK-CYBMUJFWSA-N 2 2 296.415 0.874 20 0 CCADLP C[C@@H](O)C[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001176829399 842417035 /nfs/dbraw/zinc/41/70/35/842417035.db2.gz MLVQRXHXLPPKMV-QWHCGFSZSA-N 2 2 282.388 0.529 20 0 CCADLP O=C(CCn1cc[nH+]c1)N(c1ncccn1)C1C[NH2+]C1 ZINC001176877397 842438160 /nfs/dbraw/zinc/43/81/60/842438160.db2.gz CULYVTYITPKYKZ-UHFFFAOYSA-N 2 2 272.312 0.068 20 0 CCADLP C[N@@H+]1CCC[C@@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001176884201 842441372 /nfs/dbraw/zinc/44/13/72/842441372.db2.gz XMUIROZULSANFE-CYBMUJFWSA-N 2 2 250.346 0.874 20 0 CCADLP C[N@H+]1CCC[C@@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001176884201 842441380 /nfs/dbraw/zinc/44/13/80/842441380.db2.gz XMUIROZULSANFE-CYBMUJFWSA-N 2 2 250.346 0.874 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CC[C@H]2OCC[NH+](CC)[C@H]2C1 ZINC001177139591 842510056 /nfs/dbraw/zinc/51/00/56/842510056.db2.gz RXWIDCFUISNFFF-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[C@H]2OCC[NH+](CC)[C@H]2C1 ZINC001177139591 842510060 /nfs/dbraw/zinc/51/00/60/842510060.db2.gz RXWIDCFUISNFFF-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CCC[NH+](C)CC(=O)N1CC[C@H]2OCC[N@H+](CC)[C@H]2C1 ZINC001177139591 842510066 /nfs/dbraw/zinc/51/00/66/842510066.db2.gz RXWIDCFUISNFFF-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]C[C@H]1CCCOC1 ZINC001177405882 842579243 /nfs/dbraw/zinc/57/92/43/842579243.db2.gz RKFWYKBTIGPKOM-CYBMUJFWSA-N 2 2 280.372 0.406 20 0 CCADLP CC[C@H]1C[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)CCO1 ZINC001177524414 842621124 /nfs/dbraw/zinc/62/11/24/842621124.db2.gz CMBNBEAVOMJLDC-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP [NH3+][C@H]1CC[C@H](N(C(=O)CCc2[nH]cc[nH+]2)C2COC2)CC1 ZINC001178000315 842723460 /nfs/dbraw/zinc/72/34/60/842723460.db2.gz IVJYWAMSUXJSIT-HAQNSBGRSA-N 2 2 292.383 0.840 20 0 CCADLP C[NH+](C)C[C@H]1COCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001178105596 842759662 /nfs/dbraw/zinc/75/96/62/842759662.db2.gz YGRHLKWVVIZBIP-STQMWFEESA-N 2 2 292.383 0.235 20 0 CCADLP C/C(=C/C(=O)N[C@H]1C[N@@H+](C)CC1(C)C)C[NH+]1CCOCC1 ZINC001178710149 842912051 /nfs/dbraw/zinc/91/20/51/842912051.db2.gz WKZYTDMJRVJSPT-XXYUJHKVSA-N 2 2 295.427 0.721 20 0 CCADLP C/C(=C/C(=O)N[C@H]1C[N@H+](C)CC1(C)C)C[NH+]1CCOCC1 ZINC001178710149 842912060 /nfs/dbraw/zinc/91/20/60/842912060.db2.gz WKZYTDMJRVJSPT-XXYUJHKVSA-N 2 2 295.427 0.721 20 0 CCADLP C[C@@H](CC(=O)N1CC[C@H]([NH2+]CCCO)[C@@H]1C)n1cc[nH+]c1 ZINC001179622301 843031478 /nfs/dbraw/zinc/03/14/78/843031478.db2.gz JCECHYVBICMXFV-IHRRRGAJSA-N 2 2 294.399 0.796 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CCCF)CCN1C(=O)Cc1c[nH+]cn1C ZINC001179929214 843083525 /nfs/dbraw/zinc/08/35/25/843083525.db2.gz HMQGIRBUWIJWEF-AAEUAGOBSA-N 2 2 282.363 0.901 20 0 CCADLP C[C@H](C(=O)NCCc1cn(C)c[nH+]1)[NH+]1CCCC1 ZINC001180581767 843198450 /nfs/dbraw/zinc/19/84/50/843198450.db2.gz COHOJXOVAYSOPH-LLVKDONJSA-N 2 2 250.346 0.563 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](C(=O)NCCc2[nH+]ccn2C)C1 ZINC001181981020 843660346 /nfs/dbraw/zinc/66/03/46/843660346.db2.gz UKCCDOVAOVVGPF-LBPRGKRZSA-N 2 2 264.373 0.809 20 0 CCADLP CC(C)[N@H+]1CC[C@H](C(=O)NCCc2[nH+]ccn2C)C1 ZINC001181981020 843660354 /nfs/dbraw/zinc/66/03/54/843660354.db2.gz UKCCDOVAOVVGPF-LBPRGKRZSA-N 2 2 264.373 0.809 20 0 CCADLP O=C([C@H]1C[NH+]2CCC1CC2)N1CCc2[nH+]ccn2CC1 ZINC001182013516 843692527 /nfs/dbraw/zinc/69/25/27/843692527.db2.gz PFKYVJOLMUDAOH-ZDUSSCGKSA-N 2 2 274.368 0.610 20 0 CCADLP CCOc1cncc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206535604 843896002 /nfs/dbraw/zinc/89/60/02/843896002.db2.gz NMNRJSSPHPNNQY-AAEUAGOBSA-N 2 2 251.330 0.232 20 0 CCADLP CCOc1cncc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1 ZINC001206535604 843896015 /nfs/dbraw/zinc/89/60/15/843896015.db2.gz NMNRJSSPHPNNQY-AAEUAGOBSA-N 2 2 251.330 0.232 20 0 CCADLP COCCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001187092182 844650288 /nfs/dbraw/zinc/65/02/88/844650288.db2.gz QMHJRUKLHKESKA-GFCCVEGCSA-N 2 2 280.372 0.190 20 0 CCADLP COC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189873184 845241990 /nfs/dbraw/zinc/24/19/90/845241990.db2.gz CQVZOQSVNCRFQC-CHWSQXEVSA-N 2 2 294.399 0.910 20 0 CCADLP COC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001189873184 845241995 /nfs/dbraw/zinc/24/19/95/845241995.db2.gz CQVZOQSVNCRFQC-CHWSQXEVSA-N 2 2 294.399 0.910 20 0 CCADLP COC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001190557092 845428355 /nfs/dbraw/zinc/42/83/55/845428355.db2.gz JMZQJTSSZDFCMC-GXTWGEPZSA-N 2 2 294.399 0.910 20 0 CCADLP COC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001190557092 845428359 /nfs/dbraw/zinc/42/83/59/845428359.db2.gz JMZQJTSSZDFCMC-GXTWGEPZSA-N 2 2 294.399 0.910 20 0 CCADLP COC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001190557092 845428362 /nfs/dbraw/zinc/42/83/62/845428362.db2.gz JMZQJTSSZDFCMC-GXTWGEPZSA-N 2 2 294.399 0.910 20 0 CCADLP COC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001190557092 845428369 /nfs/dbraw/zinc/42/83/69/845428369.db2.gz JMZQJTSSZDFCMC-GXTWGEPZSA-N 2 2 294.399 0.910 20 0 CCADLP COCC[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192550557 845865639 /nfs/dbraw/zinc/86/56/39/845865639.db2.gz JNPWZOYMKMCOOZ-LBPRGKRZSA-N 2 2 266.345 0.131 20 0 CCADLP COCC[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192550557 845865645 /nfs/dbraw/zinc/86/56/45/845865645.db2.gz JNPWZOYMKMCOOZ-LBPRGKRZSA-N 2 2 266.345 0.131 20 0 CCADLP COCCC[N@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192550453 845866355 /nfs/dbraw/zinc/86/63/55/845866355.db2.gz HZSZPSHCCQHGSZ-CYBMUJFWSA-N 2 2 280.372 0.521 20 0 CCADLP COCCC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192550453 845866364 /nfs/dbraw/zinc/86/63/64/845866364.db2.gz HZSZPSHCCQHGSZ-CYBMUJFWSA-N 2 2 280.372 0.521 20 0 CCADLP COCCC[N@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193047993 845963198 /nfs/dbraw/zinc/96/31/98/845963198.db2.gz KISSNOHYTGPRCX-LBPRGKRZSA-N 2 2 280.372 0.521 20 0 CCADLP COCCC[N@@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193047993 845963202 /nfs/dbraw/zinc/96/32/02/845963202.db2.gz KISSNOHYTGPRCX-LBPRGKRZSA-N 2 2 280.372 0.521 20 0 CCADLP C[C@@H](O)CCC[N@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193048420 845963585 /nfs/dbraw/zinc/96/35/85/845963585.db2.gz QUBZMJZELNJDKA-OLZOCXBDSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@@H](O)CCC[N@@H+](C)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193048420 845963594 /nfs/dbraw/zinc/96/35/94/845963594.db2.gz QUBZMJZELNJDKA-OLZOCXBDSA-N 2 2 294.399 0.646 20 0 CCADLP COCCC[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001193463187 846083141 /nfs/dbraw/zinc/08/31/41/846083141.db2.gz RQEDHORLXGICTB-ZDUSSCGKSA-N 2 2 294.399 0.532 20 0 CCADLP COCCC[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001193463187 846083147 /nfs/dbraw/zinc/08/31/47/846083147.db2.gz RQEDHORLXGICTB-ZDUSSCGKSA-N 2 2 294.399 0.532 20 0 CCADLP COCCCC[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194460530 846293990 /nfs/dbraw/zinc/29/39/90/846293990.db2.gz PYMINERDPUPGTI-AWEZNQCLSA-N 2 2 294.399 0.842 20 0 CCADLP COCCCC[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194460530 846294002 /nfs/dbraw/zinc/29/40/02/846294002.db2.gz PYMINERDPUPGTI-AWEZNQCLSA-N 2 2 294.399 0.842 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2ccc(F)cn2)C1 ZINC001205673862 846366609 /nfs/dbraw/zinc/36/66/09/846366609.db2.gz UYMQGWUXQCHFFN-CYBMUJFWSA-N 2 2 253.321 0.896 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001205673862 846366618 /nfs/dbraw/zinc/36/66/18/846366618.db2.gz UYMQGWUXQCHFFN-CYBMUJFWSA-N 2 2 253.321 0.896 20 0 CCADLP CN(C)c1ccc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)c(F)n1 ZINC001205688044 846467946 /nfs/dbraw/zinc/46/79/46/846467946.db2.gz DBAFPAMPAOSHBC-OAHLLOKOSA-N 2 2 296.390 0.962 20 0 CCADLP CN(C)c1ccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c(F)n1 ZINC001205688044 846467950 /nfs/dbraw/zinc/46/79/50/846467950.db2.gz DBAFPAMPAOSHBC-OAHLLOKOSA-N 2 2 296.390 0.962 20 0 CCADLP CC(C)[N@H+](CCn1cc[nH+]c1)C[C@@H]1CCC(=O)N1 ZINC001195233168 846477232 /nfs/dbraw/zinc/47/72/32/846477232.db2.gz HUCVLVLMAXHBKF-LBPRGKRZSA-N 2 2 250.346 0.872 20 0 CCADLP CC(C)[N@@H+](CCn1cc[nH+]c1)C[C@@H]1CCC(=O)N1 ZINC001195233168 846477233 /nfs/dbraw/zinc/47/72/33/846477233.db2.gz HUCVLVLMAXHBKF-LBPRGKRZSA-N 2 2 250.346 0.872 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)C[N@@H+](C)C(C)C)o1 ZINC001152432518 847086940 /nfs/dbraw/zinc/08/69/40/847086940.db2.gz JACNSPGZLMTDBP-SNVBAGLBSA-N 2 2 283.376 0.485 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)C[N@H+](C)C(C)C)o1 ZINC001152432518 847086946 /nfs/dbraw/zinc/08/69/46/847086946.db2.gz JACNSPGZLMTDBP-SNVBAGLBSA-N 2 2 283.376 0.485 20 0 CCADLP CCN(C(=O)c1c[nH+]ccc1N(C)C)C1C[NH+](C)C1 ZINC001199351200 847292830 /nfs/dbraw/zinc/29/28/30/847292830.db2.gz BMYDXMAUWFFCHR-UHFFFAOYSA-N 2 2 262.357 0.924 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])NC[C@H](O)c2ccccc2)CC1 ZINC001252003393 847571516 /nfs/dbraw/zinc/57/15/16/847571516.db2.gz RDSKEARUQCTHON-ZDUSSCGKSA-N 2 2 262.357 0.492 20 0 CCADLP CC(C)OC[C@H](O)C[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001252681344 848060314 /nfs/dbraw/zinc/06/03/14/848060314.db2.gz MCQBMQJDGDLUNZ-MGPQQGTHSA-N 2 2 256.390 0.798 20 0 CCADLP CC(C)OC[C@H](O)C[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001252681344 848060319 /nfs/dbraw/zinc/06/03/19/848060319.db2.gz MCQBMQJDGDLUNZ-MGPQQGTHSA-N 2 2 256.390 0.798 20 0 CCADLP CC(C)OC[C@H](O)C[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001252681344 848060321 /nfs/dbraw/zinc/06/03/21/848060321.db2.gz MCQBMQJDGDLUNZ-MGPQQGTHSA-N 2 2 256.390 0.798 20 0 CCADLP CC(C)OC[C@H](O)C[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001252681344 848060322 /nfs/dbraw/zinc/06/03/22/848060322.db2.gz MCQBMQJDGDLUNZ-MGPQQGTHSA-N 2 2 256.390 0.798 20 0 CCADLP CC(C)OCC[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001202673823 848207426 /nfs/dbraw/zinc/20/74/26/848207426.db2.gz MTGLUROLTADETQ-UHFFFAOYSA-N 2 2 294.399 0.958 20 0 CCADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000717307339 848226209 /nfs/dbraw/zinc/22/62/09/848226209.db2.gz LDUYEXTUJWOYIQ-STQMWFEESA-N 2 2 272.776 0.886 20 0 CCADLP COCCOC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000717441762 848262602 /nfs/dbraw/zinc/26/26/02/848262602.db2.gz SGXWLVNOZLMOAR-HZSPNIEDSA-N 2 2 272.389 0.179 20 0 CCADLP COCCOC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000717441762 848262589 /nfs/dbraw/zinc/26/25/89/848262589.db2.gz SGXWLVNOZLMOAR-HZSPNIEDSA-N 2 2 272.389 0.179 20 0 CCADLP COCCOC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000717441762 848262593 /nfs/dbraw/zinc/26/25/93/848262593.db2.gz SGXWLVNOZLMOAR-HZSPNIEDSA-N 2 2 272.389 0.179 20 0 CCADLP COCCOC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000717441762 848262596 /nfs/dbraw/zinc/26/25/96/848262596.db2.gz SGXWLVNOZLMOAR-HZSPNIEDSA-N 2 2 272.389 0.179 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NC/C=C/C[NH2+]Cc2cnon2)C1 ZINC001274367708 848460846 /nfs/dbraw/zinc/46/08/46/848460846.db2.gz FDLMXECMTSMTLE-QAVQXKDTSA-N 2 2 293.371 0.173 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NC/C=C/C[NH2+]Cc2cnon2)C1 ZINC001274367708 848460848 /nfs/dbraw/zinc/46/08/48/848460848.db2.gz FDLMXECMTSMTLE-QAVQXKDTSA-N 2 2 293.371 0.173 20 0 CCADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C[NH2+]CCCO ZINC001279172240 848581490 /nfs/dbraw/zinc/58/14/90/848581490.db2.gz VNISQOTYLZIRPV-RYUDHWBXSA-N 2 2 280.372 0.019 20 0 CCADLP CCOCC[NH2+]C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001275059269 848624080 /nfs/dbraw/zinc/62/40/80/848624080.db2.gz ITISURXEXGSSPQ-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP CC[C@H](C[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1)OC ZINC001275467692 848728656 /nfs/dbraw/zinc/72/86/56/848728656.db2.gz MWEHCFDMOYDAOO-NWDGAFQWSA-N 2 2 268.361 0.402 20 0 CCADLP CC(C)OCC[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001275542999 848756411 /nfs/dbraw/zinc/75/64/11/848756411.db2.gz XZFIHVAPEABQOG-STQMWFEESA-N 2 2 296.415 0.870 20 0 CCADLP c1cn(CC[N@@H+]2C[C@H]3C[C@@H](C2)N(Cc2ccnnc2)C3)c[nH+]1 ZINC001275880244 848854999 /nfs/dbraw/zinc/85/49/99/848854999.db2.gz XTYDWEFMAWLFLF-CVEARBPZSA-N 2 2 298.394 0.879 20 0 CCADLP Cn1cc(C[N@H+]2[C@@H]3C[C@H]2CN(CC[NH+](C)C)C3)cn1 ZINC001276223822 848965560 /nfs/dbraw/zinc/96/55/60/848965560.db2.gz XAJPFYLUCPTVEC-OKILXGFUSA-N 2 2 263.389 0.240 20 0 CCADLP Cn1cc(C[N@@H+]2[C@@H]3C[C@H]2CN(CC[NH+](C)C)C3)cn1 ZINC001276223822 848965566 /nfs/dbraw/zinc/96/55/66/848965566.db2.gz XAJPFYLUCPTVEC-OKILXGFUSA-N 2 2 263.389 0.240 20 0 CCADLP C[C@H](C[C@H]1CCC(=O)N1)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000381261285 849748252 /nfs/dbraw/zinc/74/82/52/849748252.db2.gz PGXVMCQZGCVELG-IJLUTSLNSA-N 2 2 250.346 0.918 20 0 CCADLP C[C@H](C[C@H]1CCC(=O)N1)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000381261284 849748364 /nfs/dbraw/zinc/74/83/64/849748364.db2.gz PGXVMCQZGCVELG-GRYCIOLGSA-N 2 2 250.346 0.918 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001038441364 849899026 /nfs/dbraw/zinc/89/90/26/849899026.db2.gz IROMHJZEIFZYFZ-LLVKDONJSA-N 2 2 280.372 0.949 20 0 CCADLP CC(C)[N@H+]1CC[C@@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001038441364 849899032 /nfs/dbraw/zinc/89/90/32/849899032.db2.gz IROMHJZEIFZYFZ-LLVKDONJSA-N 2 2 280.372 0.949 20 0 CCADLP C[C@@H](CC[NH2+]Cc1cnc2n1CCOC2)[NH+](C)C ZINC000722862567 850164895 /nfs/dbraw/zinc/16/48/95/850164895.db2.gz NMZQJALEFVZDLP-NSHDSACASA-N 2 2 252.362 0.843 20 0 CCADLP CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001039350508 850177706 /nfs/dbraw/zinc/17/77/06/850177706.db2.gz GLGAPZUUVXGWIG-QLFBSQMISA-N 2 2 295.427 0.792 20 0 CCADLP CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001039350508 850177710 /nfs/dbraw/zinc/17/77/10/850177710.db2.gz GLGAPZUUVXGWIG-QLFBSQMISA-N 2 2 295.427 0.792 20 0 CCADLP CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001039350508 850177716 /nfs/dbraw/zinc/17/77/16/850177716.db2.gz GLGAPZUUVXGWIG-QLFBSQMISA-N 2 2 295.427 0.792 20 0 CCADLP CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001039350508 850177725 /nfs/dbraw/zinc/17/77/25/850177725.db2.gz GLGAPZUUVXGWIG-QLFBSQMISA-N 2 2 295.427 0.792 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@]2(CC[N@@H+](CCCO)C2)C1 ZINC001041855935 850511853 /nfs/dbraw/zinc/51/18/53/850511853.db2.gz UEYRAFXXNYFDCI-HNNXBMFYSA-N 2 2 292.383 0.190 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@]2(CC[N@H+](CCCO)C2)C1 ZINC001041855935 850511862 /nfs/dbraw/zinc/51/18/62/850511862.db2.gz UEYRAFXXNYFDCI-HNNXBMFYSA-N 2 2 292.383 0.190 20 0 CCADLP CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C1C[NH+](CC2CC2)C1 ZINC001043140812 850820724 /nfs/dbraw/zinc/82/07/24/850820724.db2.gz QYDDJENSMRISQC-CYBMUJFWSA-N 2 2 288.395 0.998 20 0 CCADLP CN(C(=O)c1ccc2c[nH+]cn2c1)C1C[NH+](CCO)C1 ZINC001043352837 850859558 /nfs/dbraw/zinc/85/95/58/850859558.db2.gz UKOCYXDWEZNATI-UHFFFAOYSA-N 2 2 274.324 0.083 20 0 CCADLP CC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001043388016 850867050 /nfs/dbraw/zinc/86/70/50/850867050.db2.gz AOWMXWDPSCNZEE-QRJNDHJOSA-N 2 2 279.384 0.012 20 0 CCADLP CC[NH+]1CC(N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001043388016 850867059 /nfs/dbraw/zinc/86/70/59/850867059.db2.gz AOWMXWDPSCNZEE-QRJNDHJOSA-N 2 2 279.384 0.012 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001044195191 851040883 /nfs/dbraw/zinc/04/08/83/851040883.db2.gz SFJHIQQYECGRBH-UHFFFAOYSA-N 2 2 292.383 0.550 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001044330204 851078287 /nfs/dbraw/zinc/07/82/87/851078287.db2.gz VEJMXKUVURTVCE-BETUJISGSA-N 2 2 283.416 0.648 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001044330204 851078290 /nfs/dbraw/zinc/07/82/90/851078290.db2.gz VEJMXKUVURTVCE-BETUJISGSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCF)CCN1C(=O)Cn1cc[nH+]c1 ZINC001044879430 851172689 /nfs/dbraw/zinc/17/26/89/851172689.db2.gz RYYZDELRWHUHEM-VXGBXAGGSA-N 2 2 268.336 0.822 20 0 CCADLP CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001045397469 851249065 /nfs/dbraw/zinc/24/90/65/851249065.db2.gz CNXXBWGLGSPTEW-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001045397469 851249072 /nfs/dbraw/zinc/24/90/72/851249072.db2.gz CNXXBWGLGSPTEW-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP COCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001046386935 851483912 /nfs/dbraw/zinc/48/39/12/851483912.db2.gz IOTOVXTWFVXDSX-LALPHHSUSA-N 2 2 292.383 0.740 20 0 CCADLP COCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001046386935 851483913 /nfs/dbraw/zinc/48/39/13/851483913.db2.gz IOTOVXTWFVXDSX-LALPHHSUSA-N 2 2 292.383 0.740 20 0 CCADLP C[C@H](CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1)Cn1cc[nH+]c1 ZINC000900787646 851512620 /nfs/dbraw/zinc/51/26/20/851512620.db2.gz QTXFJFKGISYBNZ-HIFRSBDPSA-N 2 2 294.399 0.482 20 0 CCADLP C[C@H](CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)Cn1cc[nH+]c1 ZINC000900787646 851512626 /nfs/dbraw/zinc/51/26/26/851512626.db2.gz QTXFJFKGISYBNZ-HIFRSBDPSA-N 2 2 294.399 0.482 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)N[C@@]2(C)CC[NH+](Cc3ccon3)C2)C1 ZINC001046835004 851625564 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0.564 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC001048791958 852062860 /nfs/dbraw/zinc/06/28/60/852062860.db2.gz DAKJFAUFBXTCAR-BETUJISGSA-N 2 2 292.383 0.115 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001048791958 852062863 /nfs/dbraw/zinc/06/28/63/852062863.db2.gz DAKJFAUFBXTCAR-BETUJISGSA-N 2 2 292.383 0.115 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC001048853627 852084976 /nfs/dbraw/zinc/08/49/76/852084976.db2.gz MWKXOARZQMYUMI-BETUJISGSA-N 2 2 292.383 0.115 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001048853627 852084982 /nfs/dbraw/zinc/08/49/82/852084982.db2.gz MWKXOARZQMYUMI-BETUJISGSA-N 2 2 292.383 0.115 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1C[C@@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC001048853627 852084989 /nfs/dbraw/zinc/08/49/89/852084989.db2.gz MWKXOARZQMYUMI-BETUJISGSA-N 2 2 292.383 0.115 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001048853627 852084995 /nfs/dbraw/zinc/08/49/95/852084995.db2.gz MWKXOARZQMYUMI-BETUJISGSA-N 2 2 292.383 0.115 20 0 CCADLP C[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052748915 852648901 /nfs/dbraw/zinc/64/89/01/852648901.db2.gz QCBYMDCYVAHAHE-NWDGAFQWSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001052748915 852648906 /nfs/dbraw/zinc/64/89/06/852648906.db2.gz QCBYMDCYVAHAHE-NWDGAFQWSA-N 2 2 280.372 0.304 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCOC2(C[NH+](CC)C2)C1 ZINC001053280360 852721878 /nfs/dbraw/zinc/72/18/78/852721878.db2.gz CSVFMNFJPNZGQR-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCOC2(C[NH+](CC)C2)C1 ZINC001053280360 852721881 /nfs/dbraw/zinc/72/18/81/852721881.db2.gz CSVFMNFJPNZGQR-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)C[N@@H+]1CC[C@@H](C)C1)CCO2 ZINC001053429098 852743413 /nfs/dbraw/zinc/74/34/13/852743413.db2.gz FQHXEZIPLRMEHN-CQSZACIVSA-N 2 2 295.427 0.651 20 0 CCADLP CCC[NH+]1CC2(C1)CN(C(=O)C[N@H+]1CC[C@@H](C)C1)CCO2 ZINC001053429098 852743417 /nfs/dbraw/zinc/74/34/17/852743417.db2.gz FQHXEZIPLRMEHN-CQSZACIVSA-N 2 2 295.427 0.651 20 0 CCADLP CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[NH+]1CCCC1)CO2 ZINC001054009199 852869035 /nfs/dbraw/zinc/86/90/35/852869035.db2.gz QTSGWPYWLPWWKR-CYBMUJFWSA-N 2 2 281.400 0.452 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@]2(CC[N@@H+](CCO)C2)C1 ZINC001054219057 852897129 /nfs/dbraw/zinc/89/71/29/852897129.db2.gz FXPWGFVTDDPTIH-OAHLLOKOSA-N 2 2 292.383 0.259 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@]2(CC[N@H+](CCO)C2)C1 ZINC001054219057 852897135 /nfs/dbraw/zinc/89/71/35/852897135.db2.gz FXPWGFVTDDPTIH-OAHLLOKOSA-N 2 2 292.383 0.259 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N2C[C@H](C)[C@H]([NH2+]CCO)C2)c[nH+]1 ZINC001054791814 853016046 /nfs/dbraw/zinc/01/60/46/853016046.db2.gz WMRUFZRWYWCCJB-WCQYABFASA-N 2 2 294.399 0.355 20 0 CCADLP Cc1nc(N[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)cc[nH+]1 ZINC001056586287 853175442 /nfs/dbraw/zinc/17/54/42/853175442.db2.gz XHDNQFUVWNBKJC-CHWSQXEVSA-N 2 2 289.383 0.892 20 0 CCADLP Cc1nc(N[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)cc[nH+]1 ZINC001056586287 853175446 /nfs/dbraw/zinc/17/54/46/853175446.db2.gz XHDNQFUVWNBKJC-CHWSQXEVSA-N 2 2 289.383 0.892 20 0 CCADLP CC(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001050848569 853461660 /nfs/dbraw/zinc/46/16/60/853461660.db2.gz LHUCINYNYPMRID-HUUCEWRRSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001050848569 853461663 /nfs/dbraw/zinc/46/16/63/853461663.db2.gz LHUCINYNYPMRID-HUUCEWRRSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)CC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001050848569 853461668 /nfs/dbraw/zinc/46/16/68/853461668.db2.gz LHUCINYNYPMRID-HUUCEWRRSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)CC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001050848569 853461673 /nfs/dbraw/zinc/46/16/73/853461673.db2.gz LHUCINYNYPMRID-HUUCEWRRSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001050983759 853500887 /nfs/dbraw/zinc/50/08/87/853500887.db2.gz VSYQTHLOMOEDRV-CABCVRRESA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001050983759 853500893 /nfs/dbraw/zinc/50/08/93/853500893.db2.gz VSYQTHLOMOEDRV-CABCVRRESA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)C[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001050983759 853500899 /nfs/dbraw/zinc/50/08/99/853500899.db2.gz VSYQTHLOMOEDRV-CABCVRRESA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)C[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001050983759 853500904 /nfs/dbraw/zinc/50/09/04/853500904.db2.gz VSYQTHLOMOEDRV-CABCVRRESA-N 2 2 297.443 0.944 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[N@@H+]1CCCO ZINC001071991823 854332550 /nfs/dbraw/zinc/33/25/50/854332550.db2.gz GWTKJMUHJCCLBA-STQMWFEESA-N 2 2 294.399 0.314 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C[N@H+]1CCCO ZINC001071991823 854332555 /nfs/dbraw/zinc/33/25/55/854332555.db2.gz GWTKJMUHJCCLBA-STQMWFEESA-N 2 2 294.399 0.314 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CCF)CCCO1 ZINC001073554590 854591326 /nfs/dbraw/zinc/59/13/26/854591326.db2.gz JMKBOVYHZRZPKP-STQMWFEESA-N 2 2 287.379 0.257 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CCF)CCCO1 ZINC001073554590 854591334 /nfs/dbraw/zinc/59/13/34/854591334.db2.gz JMKBOVYHZRZPKP-STQMWFEESA-N 2 2 287.379 0.257 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](CCF)CCCO1 ZINC001073554590 854591344 /nfs/dbraw/zinc/59/13/44/854591344.db2.gz JMKBOVYHZRZPKP-STQMWFEESA-N 2 2 287.379 0.257 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCF)CCCO1 ZINC001073554590 854591352 /nfs/dbraw/zinc/59/13/52/854591352.db2.gz JMKBOVYHZRZPKP-STQMWFEESA-N 2 2 287.379 0.257 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@H]1C ZINC001074629456 854758764 /nfs/dbraw/zinc/75/87/64/854758764.db2.gz YSQXDKRHHOVGNE-WOPDTQHZSA-N 2 2 280.372 0.302 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC[N@@H+](CC2CC2)C[C@H]1O ZINC001099871991 855014626 /nfs/dbraw/zinc/01/46/26/855014626.db2.gz NEJAFAKCTJTKFW-ZIAGYGMSSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC[N@H+](CC2CC2)C[C@H]1O ZINC001099871991 855014632 /nfs/dbraw/zinc/01/46/32/855014632.db2.gz NEJAFAKCTJTKFW-ZIAGYGMSSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CC[N@@H+](CC2CC2)C[C@H]1O ZINC001099871991 855014641 /nfs/dbraw/zinc/01/46/41/855014641.db2.gz NEJAFAKCTJTKFW-ZIAGYGMSSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CC[N@H+](CC2CC2)C[C@H]1O ZINC001099871991 855014647 /nfs/dbraw/zinc/01/46/47/855014647.db2.gz NEJAFAKCTJTKFW-ZIAGYGMSSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@H]1CC[N@@H+](CCCF)C[C@H]1O ZINC001099940095 855040081 /nfs/dbraw/zinc/04/00/81/855040081.db2.gz PZODTDWTWAJFNQ-QWHCGFSZSA-N 2 2 298.362 0.184 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@H]1CC[N@H+](CCCF)C[C@H]1O ZINC001099940095 855040088 /nfs/dbraw/zinc/04/00/88/855040088.db2.gz PZODTDWTWAJFNQ-QWHCGFSZSA-N 2 2 298.362 0.184 20 0 CCADLP COCC[NH2+]C1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001100710277 855212771 /nfs/dbraw/zinc/21/27/71/855212771.db2.gz KSCKXSAMBWUENJ-UHFFFAOYSA-N 2 2 266.345 0.083 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001103779911 855529559 /nfs/dbraw/zinc/52/95/59/855529559.db2.gz PYDDTMVYAONXNC-CHWSQXEVSA-N 2 2 264.373 0.977 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001103779911 855529566 /nfs/dbraw/zinc/52/95/66/855529566.db2.gz PYDDTMVYAONXNC-CHWSQXEVSA-N 2 2 264.373 0.977 20 0 CCADLP O=S1(=O)CCC[C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC001117634081 856031025 /nfs/dbraw/zinc/03/10/25/856031025.db2.gz YNQFQRDPJNXBSF-NXEZZACHSA-N 2 2 269.370 0.434 20 0 CCADLP CCS(=O)(=O)CC[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC001118090243 856157377 /nfs/dbraw/zinc/15/73/77/856157377.db2.gz GHXZBERQPGEHHY-SNVBAGLBSA-N 2 2 257.359 0.222 20 0 CCADLP COCCOC[C@@H]1CC[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC001118198805 856198063 /nfs/dbraw/zinc/19/80/63/856198063.db2.gz SPQKGPHNAPFQBB-LLVKDONJSA-N 2 2 298.387 0.748 20 0 CCADLP COCCOC[C@@H]1CC[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC001118198805 856198068 /nfs/dbraw/zinc/19/80/68/856198068.db2.gz SPQKGPHNAPFQBB-LLVKDONJSA-N 2 2 298.387 0.748 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc[nH]c1=O)C1CC1 ZINC001118960685 856508840 /nfs/dbraw/zinc/50/88/40/856508840.db2.gz VGCAAVGOEPCZES-GFCCVEGCSA-N 2 2 251.330 0.332 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc[nH]c1=O)C1CC1 ZINC001118960685 856508835 /nfs/dbraw/zinc/50/88/35/856508835.db2.gz VGCAAVGOEPCZES-GFCCVEGCSA-N 2 2 251.330 0.332 20 0 CCADLP C[C@H]1CN(C(=O)NCc2c[nH+]cn2C)CC[C@@H]1[NH3+] ZINC001119482894 856701639 /nfs/dbraw/zinc/70/16/39/856701639.db2.gz MPPFHZHZTFRTEV-ONGXEEELSA-N 2 2 251.334 0.299 20 0 CCADLP C[C@H]1[NH2+]CCN(C(=O)NCc2c[nH+]cn2C)[C@@H]1C ZINC001119482631 856701704 /nfs/dbraw/zinc/70/17/04/856701704.db2.gz LDVDIVVNFPUFAG-NXEZZACHSA-N 2 2 251.334 0.312 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001393526006 912626107 /nfs/dbraw/zinc/62/61/07/912626107.db2.gz VUDDCCNRFCSMOY-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CCCO)CCN1C(=O)Cn1cc[nH+]c1 ZINC001324099587 912665438 /nfs/dbraw/zinc/66/54/38/912665438.db2.gz APCMDNLNVRCBBC-STQMWFEESA-N 2 2 280.372 0.235 20 0 CCADLP COC[C@@H](C)[NH2+]CC1CC(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001393898727 912827619 /nfs/dbraw/zinc/82/76/19/912827619.db2.gz IPIGTDHZHRIPQY-LKSINWNRSA-N 2 2 294.399 0.862 20 0 CCADLP COC[C@@H](C)[NH2+]CC1CC(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001393898727 912827635 /nfs/dbraw/zinc/82/76/35/912827635.db2.gz IPIGTDHZHRIPQY-LKSINWNRSA-N 2 2 294.399 0.862 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[NH+](CCCCO)CC2)CCO1 ZINC001325185454 913266963 /nfs/dbraw/zinc/26/69/63/913266963.db2.gz SPBSTJBJFOHTDV-OAHLLOKOSA-N 2 2 285.432 0.097 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](CCCCO)CC2)CCO1 ZINC001325185454 913266979 /nfs/dbraw/zinc/26/69/79/913266979.db2.gz SPBSTJBJFOHTDV-OAHLLOKOSA-N 2 2 285.432 0.097 20 0 CCADLP CN(C(=O)CCc1[nH+]ccn1C)C1CC([NH2+]CCF)C1 ZINC001394857613 913469303 /nfs/dbraw/zinc/46/93/03/913469303.db2.gz AQCMVNHOBGFXDU-UHFFFAOYSA-N 2 2 282.363 0.901 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)NCCC[NH+]2CCCC2)CCO1 ZINC001325581966 913478621 /nfs/dbraw/zinc/47/86/21/913478621.db2.gz YQVJTWLPHXFYSK-CQSZACIVSA-N 2 2 298.431 0.492 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)NCCC[NH+]2CCCC2)CCO1 ZINC001325581966 913478628 /nfs/dbraw/zinc/47/86/28/913478628.db2.gz YQVJTWLPHXFYSK-CQSZACIVSA-N 2 2 298.431 0.492 20 0 CCADLP CC[C@@H](C[NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1)OC ZINC001496193653 891924455 /nfs/dbraw/zinc/92/44/55/891924455.db2.gz ROAMDRCHCUKRJP-NEPJUHHUSA-N 2 2 282.388 0.814 20 0 CCADLP CCCN(C(=O)Cc1[nH]c[nH+]c1C)[C@@H]1CC[N@H+](CCO)C1 ZINC001481411085 892620027 /nfs/dbraw/zinc/62/00/27/892620027.db2.gz UYDCCHPSHBMJSC-CYBMUJFWSA-N 2 2 294.399 0.566 20 0 CCADLP CCCN(C(=O)Cc1[nH]c[nH+]c1C)[C@@H]1CC[N@@H+](CCO)C1 ZINC001481411085 892620033 /nfs/dbraw/zinc/62/00/33/892620033.db2.gz UYDCCHPSHBMJSC-CYBMUJFWSA-N 2 2 294.399 0.566 20 0 CCADLP COCC[N@@H+]1CC[C@@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001481435801 892657863 /nfs/dbraw/zinc/65/78/63/892657863.db2.gz ZYUDZUQHXSJTCT-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP COCC[N@H+]1CC[C@@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001481435801 892657868 /nfs/dbraw/zinc/65/78/68/892657868.db2.gz ZYUDZUQHXSJTCT-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP COCC[N@@H+]1CC[C@@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001481435801 892657873 /nfs/dbraw/zinc/65/78/73/892657873.db2.gz ZYUDZUQHXSJTCT-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP COCC[N@H+]1CC[C@@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001481435801 892657878 /nfs/dbraw/zinc/65/78/78/892657878.db2.gz ZYUDZUQHXSJTCT-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP CC[NH+]1CCN(CCN(C)C(=O)Cc2c[nH+]cn2C)CC1 ZINC001481472102 892716242 /nfs/dbraw/zinc/71/62/42/892716242.db2.gz HDBNXCIXKWCBRX-UHFFFAOYSA-N 2 2 293.415 0.059 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001481589419 892874982 /nfs/dbraw/zinc/87/49/82/892874982.db2.gz TVSDZTRHDAIPCU-GFCCVEGCSA-N 2 2 294.399 0.807 20 0 CCADLP C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)[C@@H]1C[NH2+]CCO ZINC001496476894 893088720 /nfs/dbraw/zinc/08/87/20/893088720.db2.gz DDWZKIIFLGHAOT-UONOGXRCSA-N 2 2 294.399 0.482 20 0 CCADLP CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)[C@@H]1CC[N@H+](CCO)C1 ZINC001481775749 893138805 /nfs/dbraw/zinc/13/88/05/893138805.db2.gz PJCRZSOQZHDWCC-ZIAGYGMSSA-N 2 2 294.399 0.749 20 0 CCADLP CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)[C@@H]1CC[N@@H+](CCO)C1 ZINC001481775749 893138814 /nfs/dbraw/zinc/13/88/14/893138814.db2.gz PJCRZSOQZHDWCC-ZIAGYGMSSA-N 2 2 294.399 0.749 20 0 CCADLP COC[C@H](C)[NH2+]CC1(NC(=O)Cn2cc[nH+]c2)CCCC1 ZINC001481912509 893257325 /nfs/dbraw/zinc/25/73/25/893257325.db2.gz CMTDFHLBLNMNPO-ZDUSSCGKSA-N 2 2 294.399 0.937 20 0 CCADLP C[C@H](O)C[NH2+]CC[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001481991016 893299926 /nfs/dbraw/zinc/29/99/26/893299926.db2.gz IMYMSIDDHLYUKH-KBPBESRZSA-N 2 2 294.399 0.482 20 0 CCADLP C[C@H](O)CCC[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001482069485 893351424 /nfs/dbraw/zinc/35/14/24/893351424.db2.gz IGEVSQMVKQQOBP-UONOGXRCSA-N 2 2 294.399 0.625 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H](C)C[NH2+]CCCO ZINC001482358490 893915005 /nfs/dbraw/zinc/91/50/05/893915005.db2.gz OGPHVKMMHBVTSD-SNVBAGLBSA-N 2 2 268.361 0.080 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@H]1CCC[NH2+]1 ZINC001358154542 894213327 /nfs/dbraw/zinc/21/33/27/894213327.db2.gz JGXPYORGIMBMNR-QWHCGFSZSA-N 2 2 269.389 0.356 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)CC[NH2+]C[C@H](C)O)c[nH+]1 ZINC001482842439 894644841 /nfs/dbraw/zinc/64/48/41/894644841.db2.gz CNIYZISAVLTBCT-YPMHNXCESA-N 2 2 296.415 0.792 20 0 CCADLP C[C@@H](CC[NH2+]C[C@H]1CCOC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001482872143 894661379 /nfs/dbraw/zinc/66/13/79/894661379.db2.gz DVHLZHUFTNYNND-NWDGAFQWSA-N 2 2 280.372 0.473 20 0 CCADLP C[C@H](CC[NH2+]Cc1cnns1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001482885042 894665279 /nfs/dbraw/zinc/66/52/79/894665279.db2.gz LOPWZXXQUJSJKY-SECBINFHSA-N 2 2 294.384 0.488 20 0 CCADLP CCN(CC[NH2+][C@H](C)c1nc(C)no1)C(=O)CC[NH+](C)C ZINC001482948003 894725903 /nfs/dbraw/zinc/72/59/03/894725903.db2.gz OTSULHQTYCIJMB-LLVKDONJSA-N 2 2 297.403 0.829 20 0 CCADLP CC(C)[C@H](C(=O)NC/C=C/C[NH2+]Cc1cnon1)[NH+](C)C ZINC001483086647 894888026 /nfs/dbraw/zinc/88/80/26/894888026.db2.gz LHGVNDXNIQRNRF-URWSZGRFSA-N 2 2 295.387 0.418 20 0 CCADLP CCOCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001483144236 895023416 /nfs/dbraw/zinc/02/34/16/895023416.db2.gz MAYWPNRCRMVPDU-OLZOCXBDSA-N 2 2 294.399 0.576 20 0 CCADLP Cc1nc(C[NH2+]C[C@@H](C)NC(=O)Cn2cc[nH+]c2C)co1 ZINC001483194899 895078081 /nfs/dbraw/zinc/07/80/81/895078081.db2.gz QLOZBEIAHWXRFY-SNVBAGLBSA-N 2 2 291.355 0.782 20 0 CCADLP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]Cc1csnn1 ZINC001409443038 895185985 /nfs/dbraw/zinc/18/59/85/895185985.db2.gz CEUSNOOLSXPOMS-WDEREUQCSA-N 2 2 297.428 0.617 20 0 CCADLP Cc1oncc1C[NH2+][C@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001409471152 895194451 /nfs/dbraw/zinc/19/44/51/895194451.db2.gz OKVUDYAWCAUTMN-MNOVXSKESA-N 2 2 291.355 0.863 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnsn1)NC(=O)C1CC[NH+](C)CC1 ZINC001483261770 895397044 /nfs/dbraw/zinc/39/70/44/895397044.db2.gz NCBIRMXXCMTHHX-JTQLQIEISA-N 2 2 297.428 0.474 20 0 CCADLP CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001483354800 895493989 /nfs/dbraw/zinc/49/39/89/895493989.db2.gz APBGKKXNLKODEK-VXGBXAGGSA-N 2 2 264.373 0.902 20 0 CCADLP CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001483354800 895493996 /nfs/dbraw/zinc/49/39/96/895493996.db2.gz APBGKKXNLKODEK-VXGBXAGGSA-N 2 2 264.373 0.902 20 0 CCADLP CO[C@H](C)C[N@H+](C)C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001483366854 895504419 /nfs/dbraw/zinc/50/44/19/895504419.db2.gz XPSBNVYQOJWEEF-CHWSQXEVSA-N 2 2 296.415 0.824 20 0 CCADLP CO[C@H](C)C[N@@H+](C)C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001483366854 895504423 /nfs/dbraw/zinc/50/44/23/895504423.db2.gz XPSBNVYQOJWEEF-CHWSQXEVSA-N 2 2 296.415 0.824 20 0 CCADLP COCCCC[N@@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001483706905 895886330 /nfs/dbraw/zinc/88/63/30/895886330.db2.gz PHHMOTVQQALWEM-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP COCCCC[N@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001483706905 895886336 /nfs/dbraw/zinc/88/63/36/895886336.db2.gz PHHMOTVQQALWEM-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP CS(=O)(=O)CCCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC001326583835 914030123 /nfs/dbraw/zinc/03/01/23/914030123.db2.gz NJDYKKGGOZLFQA-STQMWFEESA-N 2 2 290.429 0.168 20 0 CCADLP CC[N@H+](C)CCC(=O)N(C)C1C[NH+](CCOC)C1 ZINC001483886311 896101342 /nfs/dbraw/zinc/10/13/42/896101342.db2.gz IYENDVMFFKPEFJ-UHFFFAOYSA-N 2 2 257.378 0.117 20 0 CCADLP CC[N@@H+](C)CCC(=O)N(C)C1C[NH+](CCOC)C1 ZINC001483886311 896101347 /nfs/dbraw/zinc/10/13/47/896101347.db2.gz IYENDVMFFKPEFJ-UHFFFAOYSA-N 2 2 257.378 0.117 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001397104400 914045165 /nfs/dbraw/zinc/04/51/65/914045165.db2.gz ZDBUYJSNJIAWJY-ZDEQEGDKSA-N 2 2 294.399 0.454 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001397104400 914045187 /nfs/dbraw/zinc/04/51/87/914045187.db2.gz ZDBUYJSNJIAWJY-ZDEQEGDKSA-N 2 2 294.399 0.454 20 0 CCADLP CCCC[NH+]1CC(O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001484284849 896318997 /nfs/dbraw/zinc/31/89/97/896318997.db2.gz UXZGZTMZHMARAI-UHFFFAOYSA-N 2 2 280.372 0.155 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCO[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001484697191 896556774 /nfs/dbraw/zinc/55/67/74/896556774.db2.gz VVSWGAXELMIUPJ-FMBMQGQPSA-N 2 2 298.774 0.522 20 0 CCADLP COC[C@@H](C)[NH2+]CC(C)(C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001485266309 896890374 /nfs/dbraw/zinc/89/03/74/896890374.db2.gz YJLCZISGOSXGKZ-CYBMUJFWSA-N 2 2 296.415 0.992 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[N@@H+](C)C[C@H](C)O ZINC001485377960 897009159 /nfs/dbraw/zinc/00/91/59/897009159.db2.gz PDAKDMRODYZBOK-ZJUUUORDSA-N 2 2 268.361 0.078 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[N@H+](C)C[C@H](C)O ZINC001485377960 897009168 /nfs/dbraw/zinc/00/91/68/897009168.db2.gz PDAKDMRODYZBOK-ZJUUUORDSA-N 2 2 268.361 0.078 20 0 CCADLP O=C1NCCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC001328478174 915222957 /nfs/dbraw/zinc/22/29/57/915222957.db2.gz OBEJEFVZBIPWSV-STQMWFEESA-N 2 2 267.373 0.108 20 0 CCADLP COCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1[nH]c[nH+]c1C ZINC001032754163 898093973 /nfs/dbraw/zinc/09/39/73/898093973.db2.gz ZTMUQFZATUBNGZ-RYUDHWBXSA-N 2 2 278.356 0.192 20 0 CCADLP COCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1[nH]c[nH+]c1C ZINC001032754163 898093980 /nfs/dbraw/zinc/09/39/80/898093980.db2.gz ZTMUQFZATUBNGZ-RYUDHWBXSA-N 2 2 278.356 0.192 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1CNC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001326844472 914227004 /nfs/dbraw/zinc/22/70/04/914227004.db2.gz UGAAVFDMLZKERJ-HZPDHXFCSA-N 2 2 296.459 0.075 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1CNC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001326844472 914227018 /nfs/dbraw/zinc/22/70/18/914227018.db2.gz UGAAVFDMLZKERJ-HZPDHXFCSA-N 2 2 296.459 0.075 20 0 CCADLP COCCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@@H]1C ZINC001486082237 898647397 /nfs/dbraw/zinc/64/73/97/898647397.db2.gz YLQZTCVPZUPUMP-TZMCWYRMSA-N 2 2 294.399 0.958 20 0 CCADLP COCCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@@H]1C ZINC001486082237 898647402 /nfs/dbraw/zinc/64/74/02/898647402.db2.gz YLQZTCVPZUPUMP-TZMCWYRMSA-N 2 2 294.399 0.958 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC[C@H](C[NH2+]CCO)C1 ZINC001486202957 898711360 /nfs/dbraw/zinc/71/13/60/898711360.db2.gz RMPAFYXJFOSJIT-NWDGAFQWSA-N 2 2 280.372 0.209 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CC[C@H](C[NH2+]CCO)C1 ZINC001486202957 898711369 /nfs/dbraw/zinc/71/13/69/898711369.db2.gz RMPAFYXJFOSJIT-NWDGAFQWSA-N 2 2 280.372 0.209 20 0 CCADLP C[C@@H](O)C[NH+]1CCC([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001486449629 898877847 /nfs/dbraw/zinc/87/78/47/898877847.db2.gz JTUGYSWMBFVKGP-NEPJUHHUSA-N 2 2 294.399 0.550 20 0 CCADLP CN(CC[NH2+]Cc1cnsn1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001493601195 898953717 /nfs/dbraw/zinc/95/37/17/898953717.db2.gz WDXJQGONDAHAQJ-GFCCVEGCSA-N 2 2 297.428 0.570 20 0 CCADLP CN(CC[NH2+]Cc1cnsn1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001493601195 898953729 /nfs/dbraw/zinc/95/37/29/898953729.db2.gz WDXJQGONDAHAQJ-GFCCVEGCSA-N 2 2 297.428 0.570 20 0 CCADLP CC[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)C[C@H](C)O ZINC001490349941 900598625 /nfs/dbraw/zinc/59/86/25/900598625.db2.gz LHGKZUTWIIVOSQ-NSHDSACASA-N 2 2 268.361 0.161 20 0 CCADLP CC[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)C[C@H](C)O ZINC001490349941 900598631 /nfs/dbraw/zinc/59/86/31/900598631.db2.gz LHGKZUTWIIVOSQ-NSHDSACASA-N 2 2 268.361 0.161 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+]C1(C(N)=O)CCCC1 ZINC001253206196 900816488 /nfs/dbraw/zinc/81/64/88/900816488.db2.gz KZFMLUOPRVPKSX-NSHDSACASA-N 2 2 257.378 0.077 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001412485929 901759064 /nfs/dbraw/zinc/75/90/64/901759064.db2.gz IIQSJLXBXXISFG-WZRBSPASSA-N 2 2 280.372 0.302 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001412485912 901759334 /nfs/dbraw/zinc/75/93/34/901759334.db2.gz IIQSJLXBXXISFG-LOWVWBTDSA-N 2 2 280.372 0.302 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H](CO)Cc1c[nH+]c[nH]1 ZINC001412485912 901759341 /nfs/dbraw/zinc/75/93/41/901759341.db2.gz IIQSJLXBXXISFG-LOWVWBTDSA-N 2 2 280.372 0.302 20 0 CCADLP CCc1[nH+]ccn1CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001412598798 901856681 /nfs/dbraw/zinc/85/66/81/901856681.db2.gz QMLUZMJZWRUZKW-GFCCVEGCSA-N 2 2 280.372 0.282 20 0 CCADLP CCc1[nH+]ccn1CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001412598798 901856689 /nfs/dbraw/zinc/85/66/89/901856689.db2.gz QMLUZMJZWRUZKW-GFCCVEGCSA-N 2 2 280.372 0.282 20 0 CCADLP CC[NH+]1CCC(NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)CC1 ZINC001413274563 902835851 /nfs/dbraw/zinc/83/58/51/902835851.db2.gz IWQVABCFQRXJQD-JKSUJKDBSA-N 2 2 297.443 0.286 20 0 CCADLP CC[NH+]1CCC(NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)CC1 ZINC001413274563 902835861 /nfs/dbraw/zinc/83/58/61/902835861.db2.gz IWQVABCFQRXJQD-JKSUJKDBSA-N 2 2 297.443 0.286 20 0 CCADLP CC[NH+]1CCC([NH2+]C[C@@]2(CO)COC[C@@H]3CCCN32)CC1 ZINC001413274563 902835872 /nfs/dbraw/zinc/83/58/72/902835872.db2.gz IWQVABCFQRXJQD-JKSUJKDBSA-N 2 2 297.443 0.286 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001491062411 903319150 /nfs/dbraw/zinc/31/91/50/903319150.db2.gz HTWDLMCTAJYFNW-LPWJVIDDSA-N 2 2 294.399 0.860 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001491062411 903319159 /nfs/dbraw/zinc/31/91/59/903319159.db2.gz HTWDLMCTAJYFNW-LPWJVIDDSA-N 2 2 294.399 0.860 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1csnn1 ZINC001491416100 903564853 /nfs/dbraw/zinc/56/48/53/903564853.db2.gz XHKBUWOZVSNHNF-KOLCDFICSA-N 2 2 283.401 0.227 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1csnn1 ZINC001491416100 903564861 /nfs/dbraw/zinc/56/48/61/903564861.db2.gz XHKBUWOZVSNHNF-KOLCDFICSA-N 2 2 283.401 0.227 20 0 CCADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CC[C@H]1CCCO1 ZINC001491544007 903660786 /nfs/dbraw/zinc/66/07/86/903660786.db2.gz YWOBYAWQVILZJQ-ZIAGYGMSSA-N 2 2 294.399 0.937 20 0 CCADLP COCC[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001281457146 903915416 /nfs/dbraw/zinc/91/54/16/903915416.db2.gz GBLWGRFKAMIKGF-MFKMUULPSA-N 2 2 280.372 0.344 20 0 CCADLP CC[N@H+](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)CCOC ZINC001377315555 904781686 /nfs/dbraw/zinc/78/16/86/904781686.db2.gz CAAMMWNHTBOVTR-CYBMUJFWSA-N 2 2 294.399 0.530 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)CCOC ZINC001377315555 904781696 /nfs/dbraw/zinc/78/16/96/904781696.db2.gz CAAMMWNHTBOVTR-CYBMUJFWSA-N 2 2 294.399 0.530 20 0 CCADLP C[C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[N@@H+]1CCO ZINC001377376655 904813275 /nfs/dbraw/zinc/81/32/75/904813275.db2.gz FQGYBZYFXQFYFI-UONOGXRCSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)CC[N@H+]1CCO ZINC001377376655 904813290 /nfs/dbraw/zinc/81/32/90/904813290.db2.gz FQGYBZYFXQFYFI-UONOGXRCSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@@H]([NH2+]CCN(C)C(=O)CC[NH+](C)C)c1csnn1 ZINC001377594049 905036545 /nfs/dbraw/zinc/03/65/45/905036545.db2.gz QCSWUAQAUTWBTG-SNVBAGLBSA-N 2 2 285.417 0.599 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]1C[N@@H+](C)C[C@@H](C)O ZINC001377666791 905081183 /nfs/dbraw/zinc/08/11/83/905081183.db2.gz IFKXGNAECUMZHW-DGCLKSJQSA-N 2 2 294.399 0.564 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]1C[N@H+](C)C[C@@H](C)O ZINC001377666791 905081198 /nfs/dbraw/zinc/08/11/98/905081198.db2.gz IFKXGNAECUMZHW-DGCLKSJQSA-N 2 2 294.399 0.564 20 0 CCADLP C[C@@H](CC(=O)N1CCC[C@H]1C[N@H+](C)CCO)n1cc[nH+]c1 ZINC001377671724 905086340 /nfs/dbraw/zinc/08/63/40/905086340.db2.gz UELLBGWTHAJLJJ-KBPBESRZSA-N 2 2 294.399 0.749 20 0 CCADLP C[C@@H](CC(=O)N1CCC[C@H]1C[N@@H+](C)CCO)n1cc[nH+]c1 ZINC001377671724 905086359 /nfs/dbraw/zinc/08/63/59/905086359.db2.gz UELLBGWTHAJLJJ-KBPBESRZSA-N 2 2 294.399 0.749 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]1C[N@H+](C)CCCO ZINC001377673545 905090954 /nfs/dbraw/zinc/09/09/54/905090954.db2.gz SWSBXFNWCATPAK-ZDUSSCGKSA-N 2 2 294.399 0.566 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]1C[N@@H+](C)CCCO ZINC001377673545 905090971 /nfs/dbraw/zinc/09/09/71/905090971.db2.gz SWSBXFNWCATPAK-ZDUSSCGKSA-N 2 2 294.399 0.566 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC1CC(C[NH2+]C[C@@H](C)O)C1 ZINC001377733161 905120249 /nfs/dbraw/zinc/12/02/49/905120249.db2.gz ZOQKYKZARADZHQ-OIKLOGQESA-N 2 2 280.372 0.126 20 0 CCADLP CO[C@@H](C)C[N@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001377756198 905140822 /nfs/dbraw/zinc/14/08/22/905140822.db2.gz BEAKGSXKZJFGNI-STQMWFEESA-N 2 2 294.399 0.767 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001377756198 905140835 /nfs/dbraw/zinc/14/08/35/905140835.db2.gz BEAKGSXKZJFGNI-STQMWFEESA-N 2 2 294.399 0.767 20 0 CCADLP CC(C)OCC[NH+]1CC(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001377952240 905271205 /nfs/dbraw/zinc/27/12/05/905271205.db2.gz PCZJQYNVFGQJGB-UHFFFAOYSA-N 2 2 271.405 0.552 20 0 CCADLP CC(C)OCC[NH+]1CC(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001377952240 905271218 /nfs/dbraw/zinc/27/12/18/905271218.db2.gz PCZJQYNVFGQJGB-UHFFFAOYSA-N 2 2 271.405 0.552 20 0 CCADLP C[N@H+](CC(=O)NC1C[NH+](CCCO)C1)CC(C)(C)C ZINC001377956615 905275456 /nfs/dbraw/zinc/27/54/56/905275456.db2.gz JYQBZLUQWDRAIM-UHFFFAOYSA-N 2 2 271.405 0.147 20 0 CCADLP C[N@@H+](CC(=O)NC1C[NH+](CCCO)C1)CC(C)(C)C ZINC001377956615 905275470 /nfs/dbraw/zinc/27/54/70/905275470.db2.gz JYQBZLUQWDRAIM-UHFFFAOYSA-N 2 2 271.405 0.147 20 0 CCADLP CCCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001378137971 905445927 /nfs/dbraw/zinc/44/59/27/905445927.db2.gz HJYIFYNNQLGHDZ-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CCCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001378137971 905445943 /nfs/dbraw/zinc/44/59/43/905445943.db2.gz HJYIFYNNQLGHDZ-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CCCNC(=O)C[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001378137971 905445950 /nfs/dbraw/zinc/44/59/50/905445950.db2.gz HJYIFYNNQLGHDZ-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CCCNC(=O)C[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001378137971 905445963 /nfs/dbraw/zinc/44/59/63/905445963.db2.gz HJYIFYNNQLGHDZ-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CN(C(=O)CCc1c[nH+]cn1C)[C@@H]1CC[N@H+](CCCO)C1 ZINC001378193702 905488555 /nfs/dbraw/zinc/48/85/55/905488555.db2.gz VGYYDKANRRIBOW-CQSZACIVSA-N 2 2 294.399 0.268 20 0 CCADLP CN(C(=O)CCc1c[nH+]cn1C)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001378193702 905488561 /nfs/dbraw/zinc/48/85/61/905488561.db2.gz VGYYDKANRRIBOW-CQSZACIVSA-N 2 2 294.399 0.268 20 0 CCADLP COCC[NH2+][C@H]1C[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001316636264 905509712 /nfs/dbraw/zinc/50/97/12/905509712.db2.gz YGWHVPCEHOVORO-JOCQHMNTSA-N 2 2 280.372 0.404 20 0 CCADLP CN(CC[N@H+](C)CCOC1CCC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001379113362 906000806 /nfs/dbraw/zinc/00/08/06/906000806.db2.gz CIOTYBFJNAYZQN-UHFFFAOYSA-N 2 2 294.399 0.912 20 0 CCADLP CN(CC[N@@H+](C)CCOC1CCC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001379113362 906000827 /nfs/dbraw/zinc/00/08/27/906000827.db2.gz CIOTYBFJNAYZQN-UHFFFAOYSA-N 2 2 294.399 0.912 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H](C)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001379181843 906043670 /nfs/dbraw/zinc/04/36/70/906043670.db2.gz NXYSVOUQQFSQBX-NWDGAFQWSA-N 2 2 282.388 0.170 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NC[C@H](O)C[NH2+]CC(C)C ZINC001379215292 906065919 /nfs/dbraw/zinc/06/59/19/906065919.db2.gz HFRWQRARIPCDIM-CYBMUJFWSA-N 2 2 295.383 0.355 20 0 CCADLP C[C@H](C[NH2+]C[C@@H]1CCCOC1)NC(=O)Cc1c[nH+]cn1C ZINC001379449335 906245858 /nfs/dbraw/zinc/24/58/58/906245858.db2.gz KWGAHYPNABVRIP-OLZOCXBDSA-N 2 2 294.399 0.484 20 0 CCADLP C[C@H](C[NH2+][C@@H](C)c1csnn1)NC(=O)C[NH+]1CCCC1 ZINC001379471696 906266471 /nfs/dbraw/zinc/26/64/71/906266471.db2.gz VBHILNLKMTUYMJ-MNOVXSKESA-N 2 2 297.428 0.789 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001380033913 906597799 /nfs/dbraw/zinc/59/77/99/906597799.db2.gz WFWPBLXSPCGGMP-CMPLNLGQSA-N 2 2 280.372 0.486 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001380033913 906597803 /nfs/dbraw/zinc/59/78/03/906597803.db2.gz WFWPBLXSPCGGMP-CMPLNLGQSA-N 2 2 280.372 0.486 20 0 CCADLP CC[N@H+](C)CCC(=O)NCC1([NH2+]Cc2ncccn2)CC1 ZINC001380159791 906661106 /nfs/dbraw/zinc/66/11/06/906661106.db2.gz LVLIVFJLCKRPGA-UHFFFAOYSA-N 2 2 291.399 0.557 20 0 CCADLP CC[N@@H+](C)CCC(=O)NCC1([NH2+]Cc2ncccn2)CC1 ZINC001380159791 906661115 /nfs/dbraw/zinc/66/11/15/906661115.db2.gz LVLIVFJLCKRPGA-UHFFFAOYSA-N 2 2 291.399 0.557 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H]1COCC[N@@H+]1CCC1CC1)[NH+](C)C ZINC001380822554 906952196 /nfs/dbraw/zinc/95/21/96/906952196.db2.gz LANZPGVJADIAFR-CABCVRRESA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H]1COCC[N@H+]1CCC1CC1)[NH+](C)C ZINC001380822554 906952212 /nfs/dbraw/zinc/95/22/12/906952212.db2.gz LANZPGVJADIAFR-CABCVRRESA-N 2 2 297.443 0.944 20 0 CCADLP [NH3+][C@H]1CCC[C@H](NC(=O)NCCn2cc[nH+]c2)C1 ZINC001337841022 921298343 /nfs/dbraw/zinc/29/83/43/921298343.db2.gz WXQSPXWYEBIWQJ-QWRGUYRKSA-N 2 2 251.334 0.452 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[N@H+](C)CCCO ZINC001381541696 907279896 /nfs/dbraw/zinc/27/98/96/907279896.db2.gz OXBUSSSRYKFTBT-QWHCGFSZSA-N 2 2 294.399 0.264 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[N@@H+](C)CCCO ZINC001381541696 907279911 /nfs/dbraw/zinc/27/99/11/907279911.db2.gz OXBUSSSRYKFTBT-QWHCGFSZSA-N 2 2 294.399 0.264 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001381962925 907471594 /nfs/dbraw/zinc/47/15/94/907471594.db2.gz OTJQVIUABZAFNK-JZRPKSSGSA-N 2 2 292.383 0.378 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001381962925 907471602 /nfs/dbraw/zinc/47/16/02/907471602.db2.gz OTJQVIUABZAFNK-JZRPKSSGSA-N 2 2 292.383 0.378 20 0 CCADLP CO[C@H](C)C[N@H+](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001381984337 907483373 /nfs/dbraw/zinc/48/33/73/907483373.db2.gz DJQMNFCWJFXKLL-GFCCVEGCSA-N 2 2 294.399 0.910 20 0 CCADLP CO[C@H](C)C[N@@H+](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001381984337 907483391 /nfs/dbraw/zinc/48/33/91/907483391.db2.gz DJQMNFCWJFXKLL-GFCCVEGCSA-N 2 2 294.399 0.910 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1nncs1 ZINC001491681683 907495952 /nfs/dbraw/zinc/49/59/52/907495952.db2.gz GHTNHAZHSKKKCM-JTQLQIEISA-N 2 2 285.417 0.473 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1nncs1 ZINC001491681683 907495965 /nfs/dbraw/zinc/49/59/65/907495965.db2.gz GHTNHAZHSKKKCM-JTQLQIEISA-N 2 2 285.417 0.473 20 0 CCADLP CC(C)[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]CCF ZINC001382051660 907514690 /nfs/dbraw/zinc/51/46/90/907514690.db2.gz VNQRGLPBEJHZGJ-GFCCVEGCSA-N 2 2 270.352 0.973 20 0 CCADLP COCCCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001491767445 907556163 /nfs/dbraw/zinc/55/61/63/907556163.db2.gz DFAFPVTVPBHRQY-ZDUSSCGKSA-N 2 2 294.399 0.878 20 0 CCADLP CCOCC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001491861745 907637130 /nfs/dbraw/zinc/63/71/30/907637130.db2.gz RMGGQOQVNYGESI-CYBMUJFWSA-N 2 2 280.372 0.358 20 0 CCADLP C[C@@H]1CC[C@H](C[N@H+](C)CCNC(=O)CCc2c[nH]c[nH+]2)O1 ZINC001492271258 907818559 /nfs/dbraw/zinc/81/85/59/907818559.db2.gz IIBKUQRMBYHNEN-TZMCWYRMSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@@H]1CC[C@H](C[N@@H+](C)CCNC(=O)CCc2c[nH]c[nH+]2)O1 ZINC001492271258 907818573 /nfs/dbraw/zinc/81/85/73/907818573.db2.gz IIBKUQRMBYHNEN-TZMCWYRMSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H]1CC[C@@H](C[N@H+](C)CCNC(=O)CCc2c[nH]c[nH+]2)O1 ZINC001492271256 907822431 /nfs/dbraw/zinc/82/24/31/907822431.db2.gz IIBKUQRMBYHNEN-JSGCOSHPSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H]1CC[C@@H](C[N@@H+](C)CCNC(=O)CCc2c[nH]c[nH+]2)O1 ZINC001492271256 907822445 /nfs/dbraw/zinc/82/24/45/907822445.db2.gz IIBKUQRMBYHNEN-JSGCOSHPSA-N 2 2 294.399 0.958 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@H+](C)CC1(C)C ZINC001303990670 908134303 /nfs/dbraw/zinc/13/43/03/908134303.db2.gz YWMIWVCPONMZBV-LLVKDONJSA-N 2 2 264.373 0.809 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@@H+](C)CC1(C)C ZINC001303990670 908134315 /nfs/dbraw/zinc/13/43/15/908134315.db2.gz YWMIWVCPONMZBV-LLVKDONJSA-N 2 2 264.373 0.809 20 0 CCADLP C[NH2+]CCN(C(=O)NCCCn1cc[nH+]c1)C(C)C ZINC001338423026 908212110 /nfs/dbraw/zinc/21/21/10/908212110.db2.gz MHNDAPXWCRAOIK-UHFFFAOYSA-N 2 2 267.377 0.913 20 0 CCADLP C[C@@H]1NC(=O)N(CC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1=O ZINC001307509278 908317949 /nfs/dbraw/zinc/31/79/49/908317949.db2.gz FOCQMXLBAXZISF-JTQLQIEISA-N 2 2 291.355 0.529 20 0 CCADLP C[C@H]([C@H](C)O)[N@@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001308046067 908366773 /nfs/dbraw/zinc/36/67/73/908366773.db2.gz HELNWIONCBKIRC-MBNYWOFBSA-N 2 2 256.390 0.989 20 0 CCADLP C[C@H]([C@H](C)O)[N@H+]1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001308046067 908366788 /nfs/dbraw/zinc/36/67/88/908366788.db2.gz HELNWIONCBKIRC-MBNYWOFBSA-N 2 2 256.390 0.989 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC001340181830 908510224 /nfs/dbraw/zinc/51/02/24/908510224.db2.gz KHKSENQHDVQVNI-VWYCJHECSA-N 2 2 250.346 0.832 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC001340181830 908510235 /nfs/dbraw/zinc/51/02/35/908510235.db2.gz KHKSENQHDVQVNI-VWYCJHECSA-N 2 2 250.346 0.832 20 0 CCADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[C@H]([NH2+]CCCO)C1 ZINC001317059701 908949665 /nfs/dbraw/zinc/94/96/65/908949665.db2.gz XESMSIZZDCZSFD-OLZOCXBDSA-N 2 2 292.383 0.018 20 0 CCADLP CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001317065184 908954908 /nfs/dbraw/zinc/95/49/08/908954908.db2.gz WBYOGEGSYAGCLB-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP CCOCC[NH2+][C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001317065184 908954916 /nfs/dbraw/zinc/95/49/16/908954916.db2.gz WBYOGEGSYAGCLB-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP COCC[NH2+][C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001317127754 908999568 /nfs/dbraw/zinc/99/95/68/908999568.db2.gz GROIEQMGOHICBY-BETUJISGSA-N 2 2 280.372 0.547 20 0 CCADLP COCC[NH2+][C@@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001317243342 909084041 /nfs/dbraw/zinc/08/40/41/909084041.db2.gz VWBHPZVVOCEVRB-NSHDSACASA-N 2 2 290.367 0.997 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@H+](C)CCCO ZINC001317463879 909242207 /nfs/dbraw/zinc/24/22/07/909242207.db2.gz JSHCRCKWDUVRIP-LLVKDONJSA-N 2 2 268.361 0.019 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@@H+](C)CCCO ZINC001317463879 909242227 /nfs/dbraw/zinc/24/22/27/909242227.db2.gz JSHCRCKWDUVRIP-LLVKDONJSA-N 2 2 268.361 0.019 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@H+](C)CCCO ZINC001317463879 909242240 /nfs/dbraw/zinc/24/22/40/909242240.db2.gz JSHCRCKWDUVRIP-LLVKDONJSA-N 2 2 268.361 0.019 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@@H+](C)CCCO ZINC001317463879 909242256 /nfs/dbraw/zinc/24/22/56/909242256.db2.gz JSHCRCKWDUVRIP-LLVKDONJSA-N 2 2 268.361 0.019 20 0 CCADLP Cc1nocc1C[NH2+]CCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001317634283 909430900 /nfs/dbraw/zinc/43/09/00/909430900.db2.gz OWKFCHJPZUWOGA-UHFFFAOYSA-N 2 2 277.328 0.497 20 0 CCADLP Cc1cnc(C[NH2+]CCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)o1 ZINC001317654858 909447623 /nfs/dbraw/zinc/44/76/23/909447623.db2.gz KGTGDTRLQGRIOL-CYBMUJFWSA-N 2 2 294.399 0.873 20 0 CCADLP Cc1cnc(C[NH2+]CCN(C)C(=O)C[C@H]2CC[N@@H+](C)C2)o1 ZINC001317654858 909447628 /nfs/dbraw/zinc/44/76/28/909447628.db2.gz KGTGDTRLQGRIOL-CYBMUJFWSA-N 2 2 294.399 0.873 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCc1[nH+]ccn1C ZINC001388641785 909525879 /nfs/dbraw/zinc/52/58/79/909525879.db2.gz SIWMOSDGEQUXBK-CHWSQXEVSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCc1[nH+]ccn1C ZINC001388641785 909525892 /nfs/dbraw/zinc/52/58/92/909525892.db2.gz SIWMOSDGEQUXBK-CHWSQXEVSA-N 2 2 294.399 0.266 20 0 CCADLP CC[C@H](C[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1)OC ZINC001388665615 909539800 /nfs/dbraw/zinc/53/98/00/909539800.db2.gz MOGORHTXNIFWIF-ZIAGYGMSSA-N 2 2 294.399 0.841 20 0 CCADLP CC[C@H](C[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1)OC ZINC001388665615 909539811 /nfs/dbraw/zinc/53/98/11/909539811.db2.gz MOGORHTXNIFWIF-ZIAGYGMSSA-N 2 2 294.399 0.841 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CCO ZINC001389322216 909823409 /nfs/dbraw/zinc/82/34/09/909823409.db2.gz KIWYZMOGAVOZSF-TZMCWYRMSA-N 2 2 294.399 0.612 20 0 CCADLP C[C@@H](O)CCC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001389491770 909936128 /nfs/dbraw/zinc/93/61/28/909936128.db2.gz ZTAMJWYMFOUQGD-KGLIPLIRSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@@H](O)CCC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001389491770 909936141 /nfs/dbraw/zinc/93/61/41/909936141.db2.gz ZTAMJWYMFOUQGD-KGLIPLIRSA-N 2 2 294.399 0.625 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001390029578 910194009 /nfs/dbraw/zinc/19/40/09/910194009.db2.gz LZJIOUXLBQZMNX-MELADBBJSA-N 2 2 294.399 0.935 20 0 CCADLP OCCCC[NH+]1CCN(CCC[NH+]2CCOCC2)CC1 ZINC001319604452 910225808 /nfs/dbraw/zinc/22/58/08/910225808.db2.gz SEDRJLFGIKWKBZ-UHFFFAOYSA-N 2 2 285.432 0.099 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001390152769 910250091 /nfs/dbraw/zinc/25/00/91/910250091.db2.gz PTBQSYVYLDUVIT-JSGCOSHPSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001390152809 910250822 /nfs/dbraw/zinc/25/08/22/910250822.db2.gz PTBQSYVYLDUVIT-TZMCWYRMSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H](C(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C)n1cc[nH+]c1 ZINC001319946671 910366200 /nfs/dbraw/zinc/36/62/00/910366200.db2.gz CLMUTAZFSPPCQX-GRYCIOLGSA-N 2 2 250.346 0.995 20 0 CCADLP C[C@H](C(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C)n1cc[nH+]c1 ZINC001319946671 910366219 /nfs/dbraw/zinc/36/62/19/910366219.db2.gz CLMUTAZFSPPCQX-GRYCIOLGSA-N 2 2 250.346 0.995 20 0 CCADLP Cc1noc(C[NH2+][C@@H](C)CNC(=O)CCC[NH+](C)C)n1 ZINC001390460506 910436295 /nfs/dbraw/zinc/43/62/95/910436295.db2.gz JVIOMFSRKDREQK-JTQLQIEISA-N 2 2 283.376 0.314 20 0 CCADLP O=C(NC[C@H](O)C[NH2+]CCF)c1cc2c[nH+]ccc2[nH]1 ZINC001320236665 910546861 /nfs/dbraw/zinc/54/68/61/910546861.db2.gz BXXPZFBLRYCIRY-SNVBAGLBSA-N 2 2 280.303 0.213 20 0 CCADLP C[C@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC[C@@H]1CCOC1 ZINC001390694002 910592316 /nfs/dbraw/zinc/59/23/16/910592316.db2.gz BKPAWVSTWIQSCX-CHWSQXEVSA-N 2 2 294.399 0.863 20 0 CCADLP C[N@@H+](C/C=C\Cl)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001390742071 910635294 /nfs/dbraw/zinc/63/52/94/910635294.db2.gz LERDYKCPGODZST-BYCRGOAPSA-N 2 2 275.780 0.118 20 0 CCADLP C[N@H+](C/C=C\Cl)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001390742071 910635298 /nfs/dbraw/zinc/63/52/98/910635298.db2.gz LERDYKCPGODZST-BYCRGOAPSA-N 2 2 275.780 0.118 20 0 CCADLP C[NH+](C/C=C\Cl)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001390742071 910635305 /nfs/dbraw/zinc/63/53/05/910635305.db2.gz LERDYKCPGODZST-BYCRGOAPSA-N 2 2 275.780 0.118 20 0 CCADLP C[NH+](C/C=C\Cl)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001390742071 910635313 /nfs/dbraw/zinc/63/53/13/910635313.db2.gz LERDYKCPGODZST-BYCRGOAPSA-N 2 2 275.780 0.118 20 0 CCADLP CC[C@H](C(=O)NCC1C[NH+](Cc2cncn2C)C1)[NH+](C)C ZINC001391489297 911171941 /nfs/dbraw/zinc/17/19/41/911171941.db2.gz RPZVBSIVOCSTBW-CQSZACIVSA-N 2 2 293.415 0.308 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001391863170 911425590 /nfs/dbraw/zinc/42/55/90/911425590.db2.gz ZTCFWJXSRWIZMS-TZMCWYRMSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001391863170 911425602 /nfs/dbraw/zinc/42/56/02/911425602.db2.gz ZTCFWJXSRWIZMS-TZMCWYRMSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H](C[NH2+]CCF)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001321660641 911428304 /nfs/dbraw/zinc/42/83/04/911428304.db2.gz DUDJKMBNCPZQEK-MNOVXSKESA-N 2 2 256.325 0.898 20 0 CCADLP C[C@@H](C(=O)N(C)[C@H]1C[NH+]2CCC1CC2)n1cc[nH+]c1 ZINC001321718188 911461015 /nfs/dbraw/zinc/46/10/15/911461015.db2.gz KMIFCVQAEVODTN-AAEUAGOBSA-N 2 2 262.357 0.997 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001392119710 911587457 /nfs/dbraw/zinc/58/74/57/911587457.db2.gz BIMSYYYOSUYADE-QWRGUYRKSA-N 2 2 282.388 0.732 20 0 CCADLP COC[C@@H](C)[NH2+]CC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001392434039 911800717 /nfs/dbraw/zinc/80/07/17/911800717.db2.gz GSEMQWKCXZBUPX-NWDGAFQWSA-N 2 2 282.388 0.482 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]CC1CC1 ZINC001398975258 914978052 /nfs/dbraw/zinc/97/80/52/914978052.db2.gz XMFIVZPTCHCQJD-DGCLKSJQSA-N 2 2 276.384 0.950 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+]Cc1csnn1 ZINC001398998328 914987481 /nfs/dbraw/zinc/98/74/81/914987481.db2.gz GUYTXRDBSWQWID-SECBINFHSA-N 2 2 294.384 0.338 20 0 CCADLP CO[C@@H](C)C[N@H+](C)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001399592584 915259424 /nfs/dbraw/zinc/25/94/24/915259424.db2.gz FXGYWAFWERAKHX-RYUDHWBXSA-N 2 2 282.388 0.671 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001399592584 915259436 /nfs/dbraw/zinc/25/94/36/915259436.db2.gz FXGYWAFWERAKHX-RYUDHWBXSA-N 2 2 282.388 0.671 20 0 CCADLP CO[C@@H](C)C[N@H+](C)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001399592584 915259452 /nfs/dbraw/zinc/25/94/52/915259452.db2.gz FXGYWAFWERAKHX-RYUDHWBXSA-N 2 2 282.388 0.671 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001399592584 915259465 /nfs/dbraw/zinc/25/94/65/915259465.db2.gz FXGYWAFWERAKHX-RYUDHWBXSA-N 2 2 282.388 0.671 20 0 CCADLP [NH3+]C[C@@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001328645800 915329161 /nfs/dbraw/zinc/32/91/61/915329161.db2.gz AEUBZDYYHAKPTM-NWDGAFQWSA-N 2 2 262.357 0.643 20 0 CCADLP [NH3+]C1CCC(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001329107727 915674907 /nfs/dbraw/zinc/67/49/07/915674907.db2.gz UBZYZDFWFGQJJT-VOMCLLRMSA-N 2 2 262.357 0.832 20 0 CCADLP C[C@@H](CCC[NH3+])NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001329108407 915675522 /nfs/dbraw/zinc/67/55/22/915675522.db2.gz WXJNRJWAKDSZTN-QWRGUYRKSA-N 2 2 250.346 0.689 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC1C[NH+](C[C@H]2CCCOC2)C1 ZINC001400544757 915802173 /nfs/dbraw/zinc/80/21/73/915802173.db2.gz RRKPLCPVPDOTHW-GFCCVEGCSA-N 2 2 292.383 0.427 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH+]cn2C)C1 ZINC001400732726 915898268 /nfs/dbraw/zinc/89/82/68/915898268.db2.gz DIUADTLRDBOZGH-TZMCWYRMSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH+]cn2C)C1 ZINC001400732726 915898287 /nfs/dbraw/zinc/89/82/87/915898287.db2.gz DIUADTLRDBOZGH-TZMCWYRMSA-N 2 2 294.399 0.266 20 0 CCADLP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+]([C@H](C)COC)C1 ZINC001400773418 915919907 /nfs/dbraw/zinc/91/99/07/915919907.db2.gz ZBEXVGMINAAWTQ-OCCSQVGLSA-N 2 2 294.399 0.910 20 0 CCADLP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+]([C@H](C)COC)C1 ZINC001400773418 915919920 /nfs/dbraw/zinc/91/99/20/915919920.db2.gz ZBEXVGMINAAWTQ-OCCSQVGLSA-N 2 2 294.399 0.910 20 0 CCADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1nccn1C ZINC001400908078 915980731 /nfs/dbraw/zinc/98/07/31/915980731.db2.gz ASOSMRGIAAFXLE-GFCCVEGCSA-N 2 2 290.371 0.301 20 0 CCADLP C[NH2+][C@@H](C(=O)NCCCCn1cc[nH+]c1)c1cnn(C)c1 ZINC001329555432 916004676 /nfs/dbraw/zinc/00/46/76/916004676.db2.gz SSSSGVYEUBGSLC-CYBMUJFWSA-N 2 2 290.371 0.474 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCCC[C@H]2[NH3+])CCO1 ZINC001329569220 916020648 /nfs/dbraw/zinc/02/06/48/916020648.db2.gz NDQOSUVDTXSRRN-JHJVBQTASA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCCC[C@H]2[NH3+])CCO1 ZINC001329569220 916020666 /nfs/dbraw/zinc/02/06/66/916020666.db2.gz NDQOSUVDTXSRRN-JHJVBQTASA-N 2 2 269.389 0.341 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)CC1CC1 ZINC001329590396 916044541 /nfs/dbraw/zinc/04/45/41/916044541.db2.gz VABCBPCTFWNJRG-JTQLQIEISA-N 2 2 250.346 0.799 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)CC1CC1 ZINC001329590396 916044555 /nfs/dbraw/zinc/04/45/55/916044555.db2.gz VABCBPCTFWNJRG-JTQLQIEISA-N 2 2 250.346 0.799 20 0 CCADLP C[C@H](C[NH2+]Cc1nc(C2CC2)no1)NC(=O)CC[NH+](C)C ZINC001401642521 916418939 /nfs/dbraw/zinc/41/89/39/916418939.db2.gz ZDEAXTXRQMVMDD-SNVBAGLBSA-N 2 2 295.387 0.493 20 0 CCADLP CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@H](C)c1nc(C)no1)[NH+](C)C ZINC001401647505 916424074 /nfs/dbraw/zinc/42/40/74/916424074.db2.gz LLZWGBFGCJJONK-FOGDFJRCSA-N 2 2 297.403 0.874 20 0 CCADLP C[C@H](C[NH2+]C[C@@H]1CC(C)(C)CO1)NC(=O)Cn1cc[nH+]c1 ZINC001401663876 916444389 /nfs/dbraw/zinc/44/43/89/916444389.db2.gz CMYSAWGXYCKWIA-OLZOCXBDSA-N 2 2 294.399 0.793 20 0 CCADLP Cc1cc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]2CC[NH+](C)C2)no1 ZINC001401803194 916597489 /nfs/dbraw/zinc/59/74/89/916597489.db2.gz KJJAXFMGLFVNFR-DGCLKSJQSA-N 2 2 294.399 0.871 20 0 CCADLP Cc1cc(C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]2CC[NH+](C)C2)no1 ZINC001401803194 916597498 /nfs/dbraw/zinc/59/74/98/916597498.db2.gz KJJAXFMGLFVNFR-DGCLKSJQSA-N 2 2 294.399 0.871 20 0 CCADLP Cc1cc(C[NH+](C)C[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)no1 ZINC001401803194 916597505 /nfs/dbraw/zinc/59/75/05/916597505.db2.gz KJJAXFMGLFVNFR-DGCLKSJQSA-N 2 2 294.399 0.871 20 0 CCADLP Cc1cc(C[NH+](C)C[C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)no1 ZINC001401803194 916597510 /nfs/dbraw/zinc/59/75/10/916597510.db2.gz KJJAXFMGLFVNFR-DGCLKSJQSA-N 2 2 294.399 0.871 20 0 CCADLP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+]1Cc1cnn(C)c1)[NH+](C)C ZINC001401890595 916663760 /nfs/dbraw/zinc/66/37/60/916663760.db2.gz FBFIWDVWQGYEJN-UONOGXRCSA-N 2 2 293.415 0.451 20 0 CCADLP CC[C@H](C(=O)NC[C@@H]1CC[N@H+]1Cc1cnn(C)c1)[NH+](C)C ZINC001401890595 916663766 /nfs/dbraw/zinc/66/37/66/916663766.db2.gz FBFIWDVWQGYEJN-UONOGXRCSA-N 2 2 293.415 0.451 20 0 CCADLP CN1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1=O ZINC001330608733 916739933 /nfs/dbraw/zinc/73/99/33/916739933.db2.gz KISUCQIWXZNWDL-STQMWFEESA-N 2 2 267.373 0.060 20 0 CCADLP CC[NH+](CC)C[C@H](F)C(=O)N(C)C1C[NH+](CCOC)C1 ZINC001402015881 916757206 /nfs/dbraw/zinc/75/72/06/916757206.db2.gz KUHHGYCZXGJRPM-ZDUSSCGKSA-N 2 2 289.395 0.455 20 0 CCADLP CCCC[NH+]1CC(N(C)C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001402034879 916767451 /nfs/dbraw/zinc/76/74/51/916767451.db2.gz UCXIDIQZUCTNDM-CQSZACIVSA-N 2 2 297.443 0.897 20 0 CCADLP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2cncn2C)C1)[NH+](C)C ZINC001402189781 916862765 /nfs/dbraw/zinc/86/27/65/916862765.db2.gz ULPUXZPXZBYCGK-JSGCOSHPSA-N 2 2 293.415 0.451 20 0 CCADLP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2cncn2C)C1)[NH+](C)C ZINC001402189781 916862777 /nfs/dbraw/zinc/86/27/77/916862777.db2.gz ULPUXZPXZBYCGK-JSGCOSHPSA-N 2 2 293.415 0.451 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001402449844 917028878 /nfs/dbraw/zinc/02/88/78/917028878.db2.gz APHFLPQQGJRMCT-HNNXBMFYSA-N 2 2 294.399 0.482 20 0 CCADLP CC(C)C[N@H+]1CCC[C@](CO)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001402449844 917028885 /nfs/dbraw/zinc/02/88/85/917028885.db2.gz APHFLPQQGJRMCT-HNNXBMFYSA-N 2 2 294.399 0.482 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001402589136 917112584 /nfs/dbraw/zinc/11/25/84/917112584.db2.gz IWGBDDLSTVOVAW-UPJWGTAASA-N 2 2 294.399 0.624 20 0 CCADLP C[C@@]1(C[NH3+])CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001331226033 917197779 /nfs/dbraw/zinc/19/77/79/917197779.db2.gz XKALTXUJSNLWJW-FZMZJTMJSA-N 2 2 262.357 0.643 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CCCC[C@H]2C[NH3+])c1 ZINC001331392461 917302792 /nfs/dbraw/zinc/30/27/92/917302792.db2.gz HZAZYGWAVHUODK-LBPRGKRZSA-N 2 2 265.361 0.485 20 0 CCADLP O=C(NCC[C@H]1CC[NH2+]C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001331466615 917351497 /nfs/dbraw/zinc/35/14/97/917351497.db2.gz QLNZZGLEJHNZAG-NEPJUHHUSA-N 2 2 262.357 0.561 20 0 CCADLP CO[C@@H](C)C[N@H+](C)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001402926539 917352848 /nfs/dbraw/zinc/35/28/48/917352848.db2.gz GEQXVOFTTLLLLN-UONOGXRCSA-N 2 2 294.399 0.841 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001402926539 917352868 /nfs/dbraw/zinc/35/28/68/917352868.db2.gz GEQXVOFTTLLLLN-UONOGXRCSA-N 2 2 294.399 0.841 20 0 CCADLP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cnsn1 ZINC001403014434 917422105 /nfs/dbraw/zinc/42/21/05/917422105.db2.gz HMXRMPVHBDBHOJ-GHMZBOCLSA-N 2 2 299.444 0.863 20 0 CCADLP CC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cnsn1 ZINC001403014434 917422113 /nfs/dbraw/zinc/42/21/13/917422113.db2.gz HMXRMPVHBDBHOJ-GHMZBOCLSA-N 2 2 299.444 0.863 20 0 CCADLP CC[C@@H](C[NH2+][C@@H](C)CNC(=O)Cc1c[nH+]cn1C)OC ZINC001403079422 917462582 /nfs/dbraw/zinc/46/25/82/917462582.db2.gz JQBWRMAWORCHCA-AAEUAGOBSA-N 2 2 282.388 0.482 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001403250927 917614469 /nfs/dbraw/zinc/61/44/69/917614469.db2.gz YBLMLYPIRVISLG-UONOGXRCSA-N 2 2 295.427 0.576 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001403250927 917614475 /nfs/dbraw/zinc/61/44/75/917614475.db2.gz YBLMLYPIRVISLG-UONOGXRCSA-N 2 2 295.427 0.576 20 0 CCADLP COC[C@@H](C)[NH+]1CC([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001403316911 917647686 /nfs/dbraw/zinc/64/76/86/917647686.db2.gz CHCSZYDYVCKYPO-MNOVXSKESA-N 2 2 280.372 0.424 20 0 CCADLP COC(=O)c1cnc(C[N@@H+]2CC[C@H](C[NH3+])C2)cn1 ZINC001331848590 917659593 /nfs/dbraw/zinc/65/95/93/917659593.db2.gz AWBFDYLWHSDFAC-SECBINFHSA-N 2 2 250.302 0.044 20 0 CCADLP COC(=O)c1cnc(C[N@H+]2CC[C@H](C[NH3+])C2)cn1 ZINC001331848590 917659603 /nfs/dbraw/zinc/65/96/03/917659603.db2.gz AWBFDYLWHSDFAC-SECBINFHSA-N 2 2 250.302 0.044 20 0 CCADLP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]CC[C@@H]1CCOC1 ZINC001403475519 917731274 /nfs/dbraw/zinc/73/12/74/917731274.db2.gz ANCYSKHNDRMYOZ-ZIAGYGMSSA-N 2 2 294.399 0.794 20 0 CCADLP Cn1c[nH+]cc1CC[NH2+]Cc1cn(C[C@H]2CCCO2)nn1 ZINC001331954110 917749882 /nfs/dbraw/zinc/74/98/82/917749882.db2.gz FDKOBAYBSYLJSB-CQSZACIVSA-N 2 2 290.371 0.523 20 0 CCADLP CC[C@@]1(C(=O)NCCNc2cccc[nH+]2)CC[NH2+]C1 ZINC001332092892 917856040 /nfs/dbraw/zinc/85/60/40/917856040.db2.gz GTXXOZXJHSZQAY-CQSZACIVSA-N 2 2 262.357 0.999 20 0 CCADLP C[NH+](C)CCC(=O)NC[C@H](CO)[NH2+]C/C(Cl)=C/Cl ZINC001403700561 917896433 /nfs/dbraw/zinc/89/64/33/917896433.db2.gz LGRCIZSUKDTRKY-HYHWUIIZSA-N 2 2 298.214 0.324 20 0 CCADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)[C@H](C)C(N)=O ZINC001403703207 917942048 /nfs/dbraw/zinc/94/20/48/917942048.db2.gz OGHMYGLQLXRNCP-CHWSQXEVSA-N 2 2 298.431 0.171 20 0 CCADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)[C@H](C)C(N)=O ZINC001403703207 917942066 /nfs/dbraw/zinc/94/20/66/917942066.db2.gz OGHMYGLQLXRNCP-CHWSQXEVSA-N 2 2 298.431 0.171 20 0 CCADLP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+](C)[C@H](C)C(N)=O ZINC001403703207 917942077 /nfs/dbraw/zinc/94/20/77/917942077.db2.gz OGHMYGLQLXRNCP-CHWSQXEVSA-N 2 2 298.431 0.171 20 0 CCADLP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+](C)[C@H](C)C(N)=O ZINC001403703207 917942090 /nfs/dbraw/zinc/94/20/90/917942090.db2.gz OGHMYGLQLXRNCP-CHWSQXEVSA-N 2 2 298.431 0.171 20 0 CCADLP COCCC1([NH2+]Cc2cnnn2C)CC[NH2+]CC1 ZINC001332313535 918044678 /nfs/dbraw/zinc/04/46/78/918044678.db2.gz LERWIOGOJABLTO-UHFFFAOYSA-N 2 2 253.350 0.063 20 0 CCADLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3cc[nH]n3)C2)nn1 ZINC001332364524 918090886 /nfs/dbraw/zinc/09/08/86/918090886.db2.gz HCUHFAOTNUYBBC-GFCCVEGCSA-N 2 2 261.333 0.297 20 0 CCADLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3cc[nH]n3)C2)nn1 ZINC001332364524 918090899 /nfs/dbraw/zinc/09/08/99/918090899.db2.gz HCUHFAOTNUYBBC-GFCCVEGCSA-N 2 2 261.333 0.297 20 0 CCADLP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)Cc1ccn(C)n1 ZINC001403937697 918132439 /nfs/dbraw/zinc/13/24/39/918132439.db2.gz DPFNDDDAVKLSBM-UHFFFAOYSA-N 2 2 293.415 0.454 20 0 CCADLP CC[N@@H+](CCNC(=O)C[NH+]1CCCC1)Cc1ccn(C)n1 ZINC001403937697 918132451 /nfs/dbraw/zinc/13/24/51/918132451.db2.gz DPFNDDDAVKLSBM-UHFFFAOYSA-N 2 2 293.415 0.454 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+]1C[C@H]1CCOC1 ZINC001404013967 918166791 /nfs/dbraw/zinc/16/67/91/918166791.db2.gz CWCANQJFJCYDCB-KGLIPLIRSA-N 2 2 292.383 0.500 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@H+]1C[C@H]1CCOC1 ZINC001404013967 918166804 /nfs/dbraw/zinc/16/68/04/918166804.db2.gz CWCANQJFJCYDCB-KGLIPLIRSA-N 2 2 292.383 0.500 20 0 CCADLP CC[NH+](CC)C[C@H](F)C(=O)NCC1C[NH+](CCF)C1 ZINC001404894605 918511015 /nfs/dbraw/zinc/51/10/15/918511015.db2.gz VRDSWQZLNABOGD-LBPRGKRZSA-N 2 2 277.359 0.684 20 0 CCADLP Cc1ncoc1C[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001404936681 918524864 /nfs/dbraw/zinc/52/48/64/918524864.db2.gz RETRLJJJBOFBRA-UHFFFAOYSA-N 2 2 292.383 0.627 20 0 CCADLP CN(C(=O)CCc1c[nH]c[nH+]1)[C@H]1CC[N@H+](CCCO)C1 ZINC001405127148 918611971 /nfs/dbraw/zinc/61/19/71/918611971.db2.gz PBIFIOPAZPSGTC-ZDUSSCGKSA-N 2 2 280.372 0.257 20 0 CCADLP CN(C(=O)CCc1c[nH]c[nH+]1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001405127148 918611980 /nfs/dbraw/zinc/61/19/80/918611980.db2.gz PBIFIOPAZPSGTC-ZDUSSCGKSA-N 2 2 280.372 0.257 20 0 CCADLP CN(C(=O)CCc1c[nH+]c[nH]1)[C@H]1CC[N@H+](CCCO)C1 ZINC001405127148 918611989 /nfs/dbraw/zinc/61/19/89/918611989.db2.gz PBIFIOPAZPSGTC-ZDUSSCGKSA-N 2 2 280.372 0.257 20 0 CCADLP CN(C(=O)CCc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001405127148 918611999 /nfs/dbraw/zinc/61/19/99/918611999.db2.gz PBIFIOPAZPSGTC-ZDUSSCGKSA-N 2 2 280.372 0.257 20 0 CCADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC001333338451 918817897 /nfs/dbraw/zinc/81/78/97/918817897.db2.gz ZAWMVJSWAYRHDE-JXABGOGHSA-N 2 2 281.400 0.235 20 0 CCADLP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC001333338451 918817906 /nfs/dbraw/zinc/81/79/06/918817906.db2.gz ZAWMVJSWAYRHDE-JXABGOGHSA-N 2 2 281.400 0.235 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N(C)[C@@H](C)C[NH2+]Cc1cnon1 ZINC001405844772 918940357 /nfs/dbraw/zinc/94/03/57/918940357.db2.gz YGNUIIAPEITEDB-JTQLQIEISA-N 2 2 292.343 0.211 20 0 CCADLP COCC[NH2+]C1CCN(C(=O)NCc2c[nH+]cn2C)CC1 ZINC001333484204 918941698 /nfs/dbraw/zinc/94/16/98/918941698.db2.gz OFMPHNZAJVAUSU-UHFFFAOYSA-N 2 2 295.387 0.330 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@@H]1C[C@@]1(C)Br ZINC001333725747 919121863 /nfs/dbraw/zinc/12/18/63/919121863.db2.gz ZYLXXNSZFILVAO-QJPTWQEYSA-N 2 2 290.249 0.995 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@@H]1C[C@@]1(C)Br ZINC001333725747 919121871 /nfs/dbraw/zinc/12/18/71/919121871.db2.gz ZYLXXNSZFILVAO-QJPTWQEYSA-N 2 2 290.249 0.995 20 0 CCADLP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH+](C)Cc1ccn(C)n1 ZINC001406704866 919437266 /nfs/dbraw/zinc/43/72/66/919437266.db2.gz WIFRYNFMAUHCFW-CYBMUJFWSA-N 2 2 295.431 0.698 20 0 CCADLP CC[N@@H+](C)CCC(=O)N[C@H](C)C[NH+](C)Cc1ccn(C)n1 ZINC001406704866 919437273 /nfs/dbraw/zinc/43/72/73/919437273.db2.gz WIFRYNFMAUHCFW-CYBMUJFWSA-N 2 2 295.431 0.698 20 0 CCADLP CC[NH+](C)CCC(=O)N[C@H](C)C[N@H+](C)Cc1ccn(C)n1 ZINC001406704866 919437281 /nfs/dbraw/zinc/43/72/81/919437281.db2.gz WIFRYNFMAUHCFW-CYBMUJFWSA-N 2 2 295.431 0.698 20 0 CCADLP CC[NH+](C)CCC(=O)N[C@H](C)C[N@@H+](C)Cc1ccn(C)n1 ZINC001406704866 919437287 /nfs/dbraw/zinc/43/72/87/919437287.db2.gz WIFRYNFMAUHCFW-CYBMUJFWSA-N 2 2 295.431 0.698 20 0 CCADLP COCC[N@@H+]1CC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001406885310 919515296 /nfs/dbraw/zinc/51/52/96/919515296.db2.gz WRDKQCOSPYSANO-CHWSQXEVSA-N 2 2 280.372 0.671 20 0 CCADLP COCC[N@H+]1CC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001406885310 919515305 /nfs/dbraw/zinc/51/53/05/919515305.db2.gz WRDKQCOSPYSANO-CHWSQXEVSA-N 2 2 280.372 0.671 20 0 CCADLP CO[C@@H](C)C[NH2+]C1(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001406952471 919551255 /nfs/dbraw/zinc/55/12/55/919551255.db2.gz YTGIVSPARJKFFN-NSHDSACASA-N 2 2 280.372 0.616 20 0 CCADLP CO[C@@H](C)C[NH2+]C1(CNC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001406952471 919551265 /nfs/dbraw/zinc/55/12/65/919551265.db2.gz YTGIVSPARJKFFN-NSHDSACASA-N 2 2 280.372 0.616 20 0 CCADLP C[NH+](C)CCC(=O)NC[C@H]1COCC[N@@H+]1CCCF ZINC001407759419 919879011 /nfs/dbraw/zinc/87/90/11/919879011.db2.gz PJYFPIWGKJOQED-LBPRGKRZSA-N 2 2 275.368 0.115 20 0 CCADLP C[NH+](C)CCC(=O)NC[C@H]1COCC[N@H+]1CCCF ZINC001407759419 919879015 /nfs/dbraw/zinc/87/90/15/919879015.db2.gz PJYFPIWGKJOQED-LBPRGKRZSA-N 2 2 275.368 0.115 20 0 CCADLP CCN1CC[NH+]([C@H]2CCN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001407843261 919918970 /nfs/dbraw/zinc/91/89/70/919918970.db2.gz BRJJBIJBDBNYQS-HNNXBMFYSA-N 2 2 296.459 0.567 20 0 CCADLP CCN1CC[NH+]([C@H]2CCN(C(=O)CC[N@@H+](C)CC)C2)CC1 ZINC001407843261 919918974 /nfs/dbraw/zinc/91/89/74/919918974.db2.gz BRJJBIJBDBNYQS-HNNXBMFYSA-N 2 2 296.459 0.567 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H]([NH2+]CCC(=O)NC(N)=O)C1 ZINC001335428159 920189718 /nfs/dbraw/zinc/18/97/18/920189718.db2.gz CQDMGJIFALKGLX-SNVBAGLBSA-N 2 2 256.350 0.034 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H]([NH2+]CCC(=O)NC(N)=O)C1 ZINC001335428159 920189726 /nfs/dbraw/zinc/18/97/26/920189726.db2.gz CQDMGJIFALKGLX-SNVBAGLBSA-N 2 2 256.350 0.034 20 0 CCADLP CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1Cc2c[nH+]cn2C1 ZINC001335468930 920217879 /nfs/dbraw/zinc/21/78/79/920217879.db2.gz XXBPPVDNYKISNM-PWSUYJOCSA-N 2 2 267.329 0.102 20 0 CCADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H](O)CO)C1 ZINC001335594637 920309310 /nfs/dbraw/zinc/30/93/10/920309310.db2.gz WQRIURHCINOILQ-NWDGAFQWSA-N 2 2 253.346 0.028 20 0 CCADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H](O)CO)C1 ZINC001335594637 920309327 /nfs/dbraw/zinc/30/93/27/920309327.db2.gz WQRIURHCINOILQ-NWDGAFQWSA-N 2 2 253.346 0.028 20 0 CCADLP C[C@@H](CNC(=O)NCC[NH+]1CCC([NH3+])CC1)C1CC1 ZINC001336778686 921002598 /nfs/dbraw/zinc/00/25/98/921002598.db2.gz LEBQDAYNYJVTRG-NSHDSACASA-N 2 2 268.405 0.755 20 0 CCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001418116956 921839477 /nfs/dbraw/zinc/83/94/77/921839477.db2.gz OMCRFZRXQRZHAS-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001418116956 921839490 /nfs/dbraw/zinc/83/94/90/921839490.db2.gz OMCRFZRXQRZHAS-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@H](CC(=O)NC[C@@H]1CCC[N@H+](CCO)C1)n1cc[nH+]c1 ZINC001418130230 921849529 /nfs/dbraw/zinc/84/95/29/921849529.db2.gz TXJXJMWHQWFSIY-KGLIPLIRSA-N 2 2 294.399 0.655 20 0 CCADLP C[C@H](CC(=O)NC[C@@H]1CCC[N@@H+](CCO)C1)n1cc[nH+]c1 ZINC001418130230 921849540 /nfs/dbraw/zinc/84/95/40/921849540.db2.gz TXJXJMWHQWFSIY-KGLIPLIRSA-N 2 2 294.399 0.655 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)C[C@@H]([NH3+])C(F)F)C[N@@H+]1C1CC1 ZINC001340111429 921961957 /nfs/dbraw/zinc/96/19/57/921961957.db2.gz BYCPMGHFVDUZPX-NQMVMOMDSA-N 2 2 261.316 0.710 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)C[C@@H]([NH3+])C(F)F)C[N@H+]1C1CC1 ZINC001340111429 921961975 /nfs/dbraw/zinc/96/19/75/921961975.db2.gz BYCPMGHFVDUZPX-NQMVMOMDSA-N 2 2 261.316 0.710 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1nncs1 ZINC001418260425 921969022 /nfs/dbraw/zinc/96/90/22/921969022.db2.gz HJDNVMVIJBKTGH-NXEZZACHSA-N 2 2 283.401 0.227 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1nncs1 ZINC001418260425 921969038 /nfs/dbraw/zinc/96/90/38/921969038.db2.gz HJDNVMVIJBKTGH-NXEZZACHSA-N 2 2 283.401 0.227 20 0 CCADLP [NH3+][C@@H](CC(=O)N1CC[NH2+]CCC12CCC2)C(F)F ZINC001340837406 922235405 /nfs/dbraw/zinc/23/54/05/922235405.db2.gz BAPSYFVVIIMBAF-VIFPVBQESA-N 2 2 261.316 0.714 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC001340942238 922287536 /nfs/dbraw/zinc/28/75/36/922287536.db2.gz BNWVEKPHKVEAEO-ONGXEEELSA-N 2 2 250.346 0.845 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC001340942238 922287552 /nfs/dbraw/zinc/28/75/52/922287552.db2.gz BNWVEKPHKVEAEO-ONGXEEELSA-N 2 2 250.346 0.845 20 0 CCADLP COCC[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1C ZINC001418616251 922313376 /nfs/dbraw/zinc/31/33/76/922313376.db2.gz ZJHALAUZMSTPOF-CYBMUJFWSA-N 2 2 280.372 0.371 20 0 CCADLP COCC[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1C ZINC001418616251 922313388 /nfs/dbraw/zinc/31/33/88/922313388.db2.gz ZJHALAUZMSTPOF-CYBMUJFWSA-N 2 2 280.372 0.371 20 0 CCADLP CC[NH+]1CC(CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001419023655 922580389 /nfs/dbraw/zinc/58/03/89/922580389.db2.gz WEIJZDLHVNIUIC-UHFFFAOYSA-N 2 2 276.384 0.830 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001419021241 922580641 /nfs/dbraw/zinc/58/06/41/922580641.db2.gz FPTQLCJXSFZOMU-LBPRGKRZSA-N 2 2 280.372 0.356 20 0 CCADLP C[C@@H](c1cnccn1)[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001419034215 922586163 /nfs/dbraw/zinc/58/61/63/922586163.db2.gz WJOJFNXAHPUYMB-LBPRGKRZSA-N 2 2 291.399 0.537 20 0 CCADLP CC[C@H](C(=O)NCCCC[NH3+])[N@@H+]1CCO[C@H](CC)C1 ZINC001341641602 922598289 /nfs/dbraw/zinc/59/82/89/922598289.db2.gz AMOQSAABYGZMNE-CHWSQXEVSA-N 2 2 271.405 0.731 20 0 CCADLP CC[C@H](C(=O)NCCCC[NH3+])[N@H+]1CCO[C@H](CC)C1 ZINC001341641602 922598305 /nfs/dbraw/zinc/59/83/05/922598305.db2.gz AMOQSAABYGZMNE-CHWSQXEVSA-N 2 2 271.405 0.731 20 0 CCADLP [NH3+]CCOCC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001341637004 922599141 /nfs/dbraw/zinc/59/91/41/922599141.db2.gz JIGFQWUBNOBIED-UHFFFAOYSA-N 2 2 278.356 0.460 20 0 CCADLP CC[C@@]1(C(=O)NCC[NH+]2CCC([NH3+])CC2)CCC[NH2+]1 ZINC001341691305 922629579 /nfs/dbraw/zinc/62/95/79/922629579.db2.gz VMTSEOKFOZKCRW-AWEZNQCLSA-N 3 2 268.405 0.058 20 0 CCADLP [NH3+]C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001341748620 922653984 /nfs/dbraw/zinc/65/39/84/922653984.db2.gz NXZKSSMIIFIQNS-TUAOUCFPSA-N 2 2 260.341 0.371 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001341763265 922661472 /nfs/dbraw/zinc/66/14/72/922661472.db2.gz CJCIZMNQBBTEJX-QJPTWQEYSA-N 2 2 262.357 0.832 20 0 CCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1C[NH3+] ZINC001341874919 922703902 /nfs/dbraw/zinc/70/39/02/922703902.db2.gz DONRAWFGFFTVAQ-NEPJUHHUSA-N 2 2 250.346 0.717 20 0 CCADLP O=C(NC[C@H]([NH2+]CCF)C1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001419275119 922745406 /nfs/dbraw/zinc/74/54/06/922745406.db2.gz LSIYYEGCPKHRRJ-OLZOCXBDSA-N 2 2 294.374 0.899 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]Cc1cscn1 ZINC001419524108 922894286 /nfs/dbraw/zinc/89/42/86/922894286.db2.gz QSXSZLFJTUCSKE-SNVBAGLBSA-N 2 2 293.396 0.951 20 0 CCADLP O=C(CC[N@H+]1CC[C@H](F)C1)NCc1c[nH+]c2n1CCC2 ZINC001419532761 922898253 /nfs/dbraw/zinc/89/82/53/922898253.db2.gz BPXXHJDHGJHKRY-NSHDSACASA-N 2 2 280.347 0.879 20 0 CCADLP O=C(CC[N@@H+]1CC[C@H](F)C1)NCc1c[nH+]c2n1CCC2 ZINC001419532761 922898258 /nfs/dbraw/zinc/89/82/58/922898258.db2.gz BPXXHJDHGJHKRY-NSHDSACASA-N 2 2 280.347 0.879 20 0 CCADLP Cc1nocc1C[NH2+]C[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001419549744 922910219 /nfs/dbraw/zinc/91/02/19/922910219.db2.gz VSMQMIWORUCVLM-NSHDSACASA-N 2 2 291.355 0.722 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001419663310 922987428 /nfs/dbraw/zinc/98/74/28/922987428.db2.gz WPWUCQQLRNYZII-GGAZOKNXSA-N 2 2 292.383 0.261 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001419663310 922987439 /nfs/dbraw/zinc/98/74/39/922987439.db2.gz WPWUCQQLRNYZII-GGAZOKNXSA-N 2 2 292.383 0.261 20 0 CCADLP CC(C)(C(=O)N1C[C@@H]([NH3+])C(C)(C)C1)c1c[nH+]c[nH]1 ZINC001342573863 923007926 /nfs/dbraw/zinc/00/79/26/923007926.db2.gz PWASZWDMBMWTQV-SECBINFHSA-N 2 2 250.346 0.883 20 0 CCADLP O=C(N[C@H]1C[NH2+]CC12CC2)[C@@H]1CCc2c[nH+]cn2C1 ZINC001342851682 923112239 /nfs/dbraw/zinc/11/22/39/923112239.db2.gz GKKLDXMHYFNSCI-PWSUYJOCSA-N 2 2 260.341 0.314 20 0 CCADLP CC(C)[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CCF ZINC001419914449 923162026 /nfs/dbraw/zinc/16/20/26/923162026.db2.gz MYNADXIHYXAMCO-LBPRGKRZSA-N 2 2 270.352 0.973 20 0 CCADLP CN1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC[N@H+](C)CC1 ZINC001343024720 923169487 /nfs/dbraw/zinc/16/94/87/923169487.db2.gz FFQVTSRCLGNNSO-HNNXBMFYSA-N 2 2 290.411 0.392 20 0 CCADLP CN1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC[N@@H+](C)CC1 ZINC001343024720 923169493 /nfs/dbraw/zinc/16/94/93/923169493.db2.gz FFQVTSRCLGNNSO-HNNXBMFYSA-N 2 2 290.411 0.392 20 0 CCADLP Cc1[nH+]ccn1CC(=O)Nc1cc2n(n1)CC[NH2+]C2 ZINC001343025155 923173533 /nfs/dbraw/zinc/17/35/33/923173533.db2.gz HWIVVDUUQNCOTN-UHFFFAOYSA-N 2 2 260.301 0.130 20 0 CCADLP COC[C@H](C)[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001420004450 923231822 /nfs/dbraw/zinc/23/18/22/923231822.db2.gz YILNKIWUNLAIBS-NWDGAFQWSA-N 2 2 280.372 0.425 20 0 CCADLP COCC[N@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001420042509 923255529 /nfs/dbraw/zinc/25/55/29/923255529.db2.gz XQWFOHCIVGVZMU-CYBMUJFWSA-N 2 2 280.372 0.521 20 0 CCADLP COCC[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001420042509 923255541 /nfs/dbraw/zinc/25/55/41/923255541.db2.gz XQWFOHCIVGVZMU-CYBMUJFWSA-N 2 2 280.372 0.521 20 0 CCADLP CC1(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC[NH2+]CC1 ZINC001343485033 923344886 /nfs/dbraw/zinc/34/48/86/923344886.db2.gz BYJSZOWDQUTGOB-NSHDSACASA-N 2 2 262.357 0.704 20 0 CCADLP Cc1noc(C)c1C[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001420192099 923390117 /nfs/dbraw/zinc/39/01/17/923390117.db2.gz OITPLROKPBVGGC-AWEZNQCLSA-N 2 2 294.399 0.934 20 0 CCADLP Cc1noc(C)c1C[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001420192099 923390140 /nfs/dbraw/zinc/39/01/40/923390140.db2.gz OITPLROKPBVGGC-AWEZNQCLSA-N 2 2 294.399 0.934 20 0 CCADLP Cc1noc(C)c1C[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001420192099 923390155 /nfs/dbraw/zinc/39/01/55/923390155.db2.gz OITPLROKPBVGGC-AWEZNQCLSA-N 2 2 294.399 0.934 20 0 CCADLP Cc1noc(C)c1C[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001420192099 923390170 /nfs/dbraw/zinc/39/01/70/923390170.db2.gz OITPLROKPBVGGC-AWEZNQCLSA-N 2 2 294.399 0.934 20 0 CCADLP CCN(CC[NH2+]C(C)C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001420239192 923448757 /nfs/dbraw/zinc/44/87/57/923448757.db2.gz SKVDMVMARKBQBM-UHFFFAOYSA-N 2 2 285.432 0.944 20 0 CCADLP C[C@H](C[NH2+]Cc1ccccn1)NC(=O)CCn1cc[nH+]c1 ZINC001420328344 923553123 /nfs/dbraw/zinc/55/31/23/923553123.db2.gz PFVPZQDYUYWGTD-CYBMUJFWSA-N 2 2 287.367 0.963 20 0 CCADLP C[N@H+](CCNC(=O)Cn1cc[nH+]c1)CCc1ccns1 ZINC001420360707 923579030 /nfs/dbraw/zinc/57/90/30/923579030.db2.gz BKPWLSSFKXSCET-UHFFFAOYSA-N 2 2 293.396 0.630 20 0 CCADLP C[N@@H+](CCNC(=O)Cn1cc[nH+]c1)CCc1ccns1 ZINC001420360707 923579047 /nfs/dbraw/zinc/57/90/47/923579047.db2.gz BKPWLSSFKXSCET-UHFFFAOYSA-N 2 2 293.396 0.630 20 0 CCADLP CC[N@H+](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C[C@@H](C)O ZINC001420403991 923626358 /nfs/dbraw/zinc/62/63/58/923626358.db2.gz KQKMHISMKYVEBY-CHWSQXEVSA-N 2 2 294.399 0.264 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C[C@@H](C)O ZINC001420403991 923626369 /nfs/dbraw/zinc/62/63/69/923626369.db2.gz KQKMHISMKYVEBY-CHWSQXEVSA-N 2 2 294.399 0.264 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC001345154979 923812686 /nfs/dbraw/zinc/81/26/86/923812686.db2.gz WTEMKUKCXGKRDH-AXFHLTTASA-N 2 2 250.346 0.832 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC001345154979 923812694 /nfs/dbraw/zinc/81/26/94/923812694.db2.gz WTEMKUKCXGKRDH-AXFHLTTASA-N 2 2 250.346 0.832 20 0 CCADLP C[C@H](O)C[N@@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001421002871 924088174 /nfs/dbraw/zinc/08/81/74/924088174.db2.gz QVHKVLUWJSXNCJ-STQMWFEESA-N 2 2 280.372 0.235 20 0 CCADLP C[C@H](O)C[N@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001421002871 924088181 /nfs/dbraw/zinc/08/81/81/924088181.db2.gz QVHKVLUWJSXNCJ-STQMWFEESA-N 2 2 280.372 0.235 20 0 CCADLP CC[N@H+](C)CCC(=O)NC1C[NH+](C[C@H]2CC[C@H](C)O2)C1 ZINC001421084371 924142153 /nfs/dbraw/zinc/14/21/53/924142153.db2.gz OTGXEDGKGLKOFA-GXTWGEPZSA-N 2 2 283.416 0.696 20 0 CCADLP CC[N@@H+](C)CCC(=O)NC1C[NH+](C[C@H]2CC[C@H](C)O2)C1 ZINC001421084371 924142159 /nfs/dbraw/zinc/14/21/59/924142159.db2.gz OTGXEDGKGLKOFA-GXTWGEPZSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCCCn1cc[nH+]c1 ZINC001347650383 924503590 /nfs/dbraw/zinc/50/35/90/924503590.db2.gz PSBXEOGWXHKLNJ-ZIAGYGMSSA-N 2 2 291.399 0.168 20 0 CCADLP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)NCCCCn1cc[nH+]c1 ZINC001347650383 924503596 /nfs/dbraw/zinc/50/35/96/924503596.db2.gz PSBXEOGWXHKLNJ-ZIAGYGMSSA-N 2 2 291.399 0.168 20 0 CCADLP CN(C)[C@H]1CCCC[C@H]1[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001348958871 924852171 /nfs/dbraw/zinc/85/21/71/924852171.db2.gz ZCCULLQIFHXENW-OAGGEKHMSA-N 2 2 298.475 0.057 20 0 CCADLP C[C@@H]1COCCN1CC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC001350954495 925320262 /nfs/dbraw/zinc/32/02/62/925320262.db2.gz CWJRZYGXHLAERK-KGLIPLIRSA-N 2 2 267.417 0.971 20 0 CCADLP Cn1c[nH+]cc1Cn1cc([C@@H]([NH3+])[C@@H]2CCCO2)nn1 ZINC001352983251 925689261 /nfs/dbraw/zinc/68/92/61/925689261.db2.gz JHJLXAVIGZHYDG-NWDGAFQWSA-N 2 2 262.317 0.239 20 0 CCADLP COCC[C@H]([NH3+])C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001353062978 925720607 /nfs/dbraw/zinc/72/06/07/925720607.db2.gz IOJDFGPIHUFBKD-MNOVXSKESA-N 2 2 266.345 0.480 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)NOC/C=C/Cl)CC1 ZINC001353406853 925824404 /nfs/dbraw/zinc/82/44/04/925824404.db2.gz UOINVUHFWYDZIF-DAFODLJHSA-N 2 2 276.768 0.393 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1NC(=O)NCCCn1cc[nH+]c1 ZINC001356543799 926397220 /nfs/dbraw/zinc/39/72/20/926397220.db2.gz AKHIOWXIBJQGNK-GHMZBOCLSA-N 2 2 251.334 0.180 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@@H]2CCCC[C@@H]2[NH3+])CCO1 ZINC001357384526 926521773 /nfs/dbraw/zinc/52/17/73/926521773.db2.gz NDQOSUVDTXSRRN-XQQFMLRXSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CCCC[C@@H]2[NH3+])CCO1 ZINC001357384526 926521781 /nfs/dbraw/zinc/52/17/81/926521781.db2.gz NDQOSUVDTXSRRN-XQQFMLRXSA-N 2 2 269.389 0.341 20 0 CCADLP CC(C)CC[NH+]1CC(O)(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001421463419 926762628 /nfs/dbraw/zinc/76/26/28/926762628.db2.gz LVGZWHFFSILNKE-UHFFFAOYSA-N 2 2 294.399 0.482 20 0 CCADLP COC[C@@H](C)[NH2+]CC[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001421662688 926836306 /nfs/dbraw/zinc/83/63/06/926836306.db2.gz XZHVXLPLWOAJJL-CHWSQXEVSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001421665400 926839538 /nfs/dbraw/zinc/83/95/38/926839538.db2.gz DKOLVSPCLLBYQO-NWDGAFQWSA-N 2 2 294.399 0.649 20 0 CCADLP CCC1([NH2+]C[C@@H](C)O)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001421960377 927015771 /nfs/dbraw/zinc/01/57/71/927015771.db2.gz SDISTTYDJMYFQL-GFCCVEGCSA-N 2 2 294.399 0.694 20 0 CCADLP CC[NH2+][C@@]1(CO)CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001421974711 927021216 /nfs/dbraw/zinc/02/12/16/927021216.db2.gz VLJPYPHDEGWWNU-AWEZNQCLSA-N 2 2 280.372 0.236 20 0 CCADLP CC(C)[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]C[C@H]1CCOC1 ZINC001422130266 927091073 /nfs/dbraw/zinc/09/10/73/927091073.db2.gz CFWAVXDBMZVYHY-CHWSQXEVSA-N 2 2 294.399 0.719 20 0 CCADLP CC[NH+]1CCC(CO)(NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001422191687 927135208 /nfs/dbraw/zinc/13/52/08/927135208.db2.gz HLHIEMUAIDJPCA-UHFFFAOYSA-N 2 2 280.372 0.224 20 0 CCADLP CN(CC[N@H+](C)Cc1cncs1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001422241454 927169877 /nfs/dbraw/zinc/16/98/77/927169877.db2.gz ZKJCFWIMNSLIQJ-LBPRGKRZSA-N 2 2 296.440 0.985 20 0 CCADLP CN(CC[N@@H+](C)Cc1cncs1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001422241454 927169885 /nfs/dbraw/zinc/16/98/85/927169885.db2.gz ZKJCFWIMNSLIQJ-LBPRGKRZSA-N 2 2 296.440 0.985 20 0 CCADLP CN(CC[NH+](C)Cc1cncs1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001422241454 927169891 /nfs/dbraw/zinc/16/98/91/927169891.db2.gz ZKJCFWIMNSLIQJ-LBPRGKRZSA-N 2 2 296.440 0.985 20 0 CCADLP CN(CC[NH+](C)Cc1cncs1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001422241454 927169897 /nfs/dbraw/zinc/16/98/97/927169897.db2.gz ZKJCFWIMNSLIQJ-LBPRGKRZSA-N 2 2 296.440 0.985 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+]Cc1ncccn1 ZINC001422602037 927403596 /nfs/dbraw/zinc/40/35/96/927403596.db2.gz JAXBMPVAWQIAHY-LLVKDONJSA-N 2 2 288.355 0.276 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)CC[NH+]2CC[C@@H](F)C2)CCO1 ZINC001361889608 927425302 /nfs/dbraw/zinc/42/53/02/927425302.db2.gz VSYYKSFMGAPCNQ-CHWSQXEVSA-N 2 2 287.379 0.257 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)CC[NH+]2CC[C@@H](F)C2)CCO1 ZINC001361889608 927425309 /nfs/dbraw/zinc/42/53/09/927425309.db2.gz VSYYKSFMGAPCNQ-CHWSQXEVSA-N 2 2 287.379 0.257 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)CC[N@@H+]2CC[C@@H](F)C2)CCO1 ZINC001361889608 927425311 /nfs/dbraw/zinc/42/53/11/927425311.db2.gz VSYYKSFMGAPCNQ-CHWSQXEVSA-N 2 2 287.379 0.257 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)CC[N@H+]2CC[C@@H](F)C2)CCO1 ZINC001361889608 927425316 /nfs/dbraw/zinc/42/53/16/927425316.db2.gz VSYYKSFMGAPCNQ-CHWSQXEVSA-N 2 2 287.379 0.257 20 0 CCADLP C[C@@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)N1CC[NH+](C)CC1 ZINC001422655137 927438709 /nfs/dbraw/zinc/43/87/09/927438709.db2.gz PCYVKCRXBWMYHR-AWEZNQCLSA-N 3 2 291.443 0.873 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@@H+]1Cc1cccnc1 ZINC001423184051 927721044 /nfs/dbraw/zinc/72/10/44/927721044.db2.gz VLPZFINKXXKECV-HNNXBMFYSA-N 2 2 299.378 0.977 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@H+]1Cc1cccnc1 ZINC001423184051 927721050 /nfs/dbraw/zinc/72/10/50/927721050.db2.gz VLPZFINKXXKECV-HNNXBMFYSA-N 2 2 299.378 0.977 20 0 CCADLP C[C@H](NC(=O)CC[N@@H+]1CC[C@H](F)C1)[C@@H]1C[NH+](C)CCO1 ZINC001362226721 927747972 /nfs/dbraw/zinc/74/79/72/927747972.db2.gz GIFNCNHCYLFVCJ-AVGNSLFASA-N 2 2 287.379 0.256 20 0 CCADLP C[C@H](NC(=O)CC[N@H+]1CC[C@H](F)C1)[C@@H]1C[NH+](C)CCO1 ZINC001362226721 927747976 /nfs/dbraw/zinc/74/79/76/927747976.db2.gz GIFNCNHCYLFVCJ-AVGNSLFASA-N 2 2 287.379 0.256 20 0 CCADLP C[C@H](NC(=O)CC[NH+]1CC[C@H](F)C1)[C@@H]1C[N@H+](C)CCO1 ZINC001362226721 927747991 /nfs/dbraw/zinc/74/79/91/927747991.db2.gz GIFNCNHCYLFVCJ-AVGNSLFASA-N 2 2 287.379 0.256 20 0 CCADLP C[C@H](NC(=O)CC[NH+]1CC[C@H](F)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC001362226721 927748008 /nfs/dbraw/zinc/74/80/08/927748008.db2.gz GIFNCNHCYLFVCJ-AVGNSLFASA-N 2 2 287.379 0.256 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)[NH2+]C/C=C\Cl ZINC001423287448 927790074 /nfs/dbraw/zinc/79/00/74/927790074.db2.gz LQJBXAYTNOXRLY-ZMWSMAPVSA-N 2 2 286.763 0.080 20 0 CCADLP CC(C)N(CC[N@@H+](C)C[C@H](C)O)C(=O)Cc1c[nH+]c[nH]1 ZINC001423570294 927926580 /nfs/dbraw/zinc/92/65/80/927926580.db2.gz FTUFLKGKQFDZJK-LBPRGKRZSA-N 2 2 282.388 0.502 20 0 CCADLP CC(C)N(CC[N@H+](C)C[C@H](C)O)C(=O)Cc1c[nH+]c[nH]1 ZINC001423570294 927926594 /nfs/dbraw/zinc/92/65/94/927926594.db2.gz FTUFLKGKQFDZJK-LBPRGKRZSA-N 2 2 282.388 0.502 20 0 CCADLP Cc1noc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001424801712 928300861 /nfs/dbraw/zinc/30/08/61/928300861.db2.gz GUPUIGVLVLSYJR-UWVGGRQHSA-N 2 2 283.376 0.313 20 0 CCADLP C[C@@H](O)C[NH2+]CC(C)(C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001424903540 928337071 /nfs/dbraw/zinc/33/70/71/928337071.db2.gz WSMZTLXAJGBNST-GFCCVEGCSA-N 2 2 282.388 0.338 20 0 CCADLP COCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001425336256 928516330 /nfs/dbraw/zinc/51/63/30/928516330.db2.gz YECKPCITHXOMDZ-ZSOGYDGISA-N 2 2 292.383 0.283 20 0 CCADLP COCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001425336256 928516346 /nfs/dbraw/zinc/51/63/46/928516346.db2.gz YECKPCITHXOMDZ-ZSOGYDGISA-N 2 2 292.383 0.283 20 0 CCADLP COCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001425336256 928516361 /nfs/dbraw/zinc/51/63/61/928516361.db2.gz YECKPCITHXOMDZ-ZSOGYDGISA-N 2 2 292.383 0.283 20 0 CCADLP COCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001425336256 928516375 /nfs/dbraw/zinc/51/63/75/928516375.db2.gz YECKPCITHXOMDZ-ZSOGYDGISA-N 2 2 292.383 0.283 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1c[nH+]c2n1CCC2 ZINC001362892870 928622029 /nfs/dbraw/zinc/62/20/29/928622029.db2.gz HSNFADKGTTVBRU-LBPRGKRZSA-N 2 2 292.383 0.414 20 0 CCADLP CC(C)C[C@@H](C(=O)NC[C@@H](CO)[NH2+]C(C)C)n1cc[nH+]c1 ZINC001425758498 928660117 /nfs/dbraw/zinc/66/01/17/928660117.db2.gz GSKYKGXEIKAWPG-KBPBESRZSA-N 2 2 296.415 0.945 20 0 CCADLP COCCN(CC[NH+](C)C)C(=O)NCCc1cn(C)c[nH+]1 ZINC001427707141 929089555 /nfs/dbraw/zinc/08/95/55/929089555.db2.gz ZAYCNZZTUXVYQL-UHFFFAOYSA-N 2 2 297.403 0.182 20 0 CCADLP C[C@@H](CC[NH+](C)C)C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC001363408361 929192926 /nfs/dbraw/zinc/19/29/26/929192926.db2.gz XQWJWWSJTQNTAM-GXTWGEPZSA-N 2 2 293.415 0.481 20 0 CCADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1C[C@@H](O)C2(CC2)C1 ZINC001363787056 929575590 /nfs/dbraw/zinc/57/55/90/929575590.db2.gz VBLXEXQWLLQHHM-JKSUJKDBSA-N 2 2 290.407 0.936 20 0 CCADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1C[C@@H](O)C2(CC2)C1 ZINC001363787056 929575597 /nfs/dbraw/zinc/57/55/97/929575597.db2.gz VBLXEXQWLLQHHM-JKSUJKDBSA-N 2 2 290.407 0.936 20 0 CCADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC001363787056 929575603 /nfs/dbraw/zinc/57/56/03/929575603.db2.gz VBLXEXQWLLQHHM-JKSUJKDBSA-N 2 2 290.407 0.936 20 0 CCADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC001363787056 929575606 /nfs/dbraw/zinc/57/56/06/929575606.db2.gz VBLXEXQWLLQHHM-JKSUJKDBSA-N 2 2 290.407 0.936 20 0 CCADLP Cn1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cn1 ZINC001363879412 929629149 /nfs/dbraw/zinc/62/91/49/929629149.db2.gz LQDONYNFLOLTPS-GJZGRUSLSA-N 2 2 278.400 0.888 20 0 CCADLP C[C@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]C[C@@H]1CCCOC1 ZINC001371857627 929648916 /nfs/dbraw/zinc/64/89/16/929648916.db2.gz AYGQUNMBCZWKKH-OLZOCXBDSA-N 2 2 294.399 0.863 20 0 CCADLP CC(C)OCC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001443842304 929720606 /nfs/dbraw/zinc/72/06/06/929720606.db2.gz KMQSCURVFCIQKE-AWEZNQCLSA-N 2 2 294.399 0.841 20 0 CCADLP CC(C)OCC[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001443842304 929720611 /nfs/dbraw/zinc/72/06/11/929720611.db2.gz KMQSCURVFCIQKE-AWEZNQCLSA-N 2 2 294.399 0.841 20 0 CCADLP CCN(C(=O)Cc1[nH]c[nH+]c1C)[C@@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001443883305 929727070 /nfs/dbraw/zinc/72/70/70/929727070.db2.gz XADVODKRAGVJCP-WCQYABFASA-N 2 2 294.399 0.564 20 0 CCADLP CCN(C(=O)Cc1[nH]c[nH+]c1C)[C@@H]1CC[N@@H+](C[C@H](C)O)C1 ZINC001443883305 929727076 /nfs/dbraw/zinc/72/70/76/929727076.db2.gz XADVODKRAGVJCP-WCQYABFASA-N 2 2 294.399 0.564 20 0 CCADLP C[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)CC[C@H]1CCCCO1 ZINC001372164876 929752566 /nfs/dbraw/zinc/75/25/66/929752566.db2.gz KIYJDLVCARCSBU-CYBMUJFWSA-N 2 2 294.399 0.959 20 0 CCADLP C[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)CC[C@H]1CCCCO1 ZINC001372164876 929752574 /nfs/dbraw/zinc/75/25/74/929752574.db2.gz KIYJDLVCARCSBU-CYBMUJFWSA-N 2 2 294.399 0.959 20 0 CCADLP CC[N@H+](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C[C@H](C)O ZINC001372370953 929820110 /nfs/dbraw/zinc/82/01/10/929820110.db2.gz YYRWOQAXKHZCHB-QWHCGFSZSA-N 2 2 294.399 0.264 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C[C@H](C)O ZINC001372370953 929820120 /nfs/dbraw/zinc/82/01/20/929820120.db2.gz YYRWOQAXKHZCHB-QWHCGFSZSA-N 2 2 294.399 0.264 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001372677372 929909631 /nfs/dbraw/zinc/90/96/31/929909631.db2.gz DSJDZQWQFRQVGV-KBPBESRZSA-N 2 2 292.383 0.358 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001372677372 929909639 /nfs/dbraw/zinc/90/96/39/929909639.db2.gz DSJDZQWQFRQVGV-KBPBESRZSA-N 2 2 292.383 0.358 20 0 CCADLP C[C@H](O)C[N@H+](C)CCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001445059281 930023218 /nfs/dbraw/zinc/02/32/18/930023218.db2.gz ZLALQHOPZXJSHH-RYUDHWBXSA-N 2 2 282.388 0.359 20 0 CCADLP C[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001445059281 930023224 /nfs/dbraw/zinc/02/32/24/930023224.db2.gz ZLALQHOPZXJSHH-RYUDHWBXSA-N 2 2 282.388 0.359 20 0 CCADLP C[C@H](O)C[N@H+](C)CCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001445059281 930023239 /nfs/dbraw/zinc/02/32/39/930023239.db2.gz ZLALQHOPZXJSHH-RYUDHWBXSA-N 2 2 282.388 0.359 20 0 CCADLP C[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001445059281 930023246 /nfs/dbraw/zinc/02/32/46/930023246.db2.gz ZLALQHOPZXJSHH-RYUDHWBXSA-N 2 2 282.388 0.359 20 0 CCADLP C[C@@H](C[N@H+](C)CC(N)=O)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001445751812 930238741 /nfs/dbraw/zinc/23/87/41/930238741.db2.gz MZUUZHZSBWBNNT-LBPRGKRZSA-N 2 2 298.431 0.173 20 0 CCADLP C[C@@H](C[N@@H+](C)CC(N)=O)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001445751812 930238748 /nfs/dbraw/zinc/23/87/48/930238748.db2.gz MZUUZHZSBWBNNT-LBPRGKRZSA-N 2 2 298.431 0.173 20 0 CCADLP C[C@H](C[N@H+](C)C[C@@H]1CCOC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001445811851 930254861 /nfs/dbraw/zinc/25/48/61/930254861.db2.gz IACWUHYAMFNWJY-NEPJUHHUSA-N 2 2 280.372 0.425 20 0 CCADLP C[C@H](C[N@@H+](C)C[C@@H]1CCOC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001445811851 930254869 /nfs/dbraw/zinc/25/48/69/930254869.db2.gz IACWUHYAMFNWJY-NEPJUHHUSA-N 2 2 280.372 0.425 20 0 CCADLP Cn1cc(C[N@@H+]2CC[C@@H]2CNC(=O)CC[NH+](C)C)cn1 ZINC001446081973 930328980 /nfs/dbraw/zinc/32/89/80/930328980.db2.gz BKHKMDTVNQSFJQ-CYBMUJFWSA-N 2 2 279.388 0.062 20 0 CCADLP Cn1cc(C[N@H+]2CC[C@@H]2CNC(=O)CC[NH+](C)C)cn1 ZINC001446081973 930328985 /nfs/dbraw/zinc/32/89/85/930328985.db2.gz BKHKMDTVNQSFJQ-CYBMUJFWSA-N 2 2 279.388 0.062 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]Cc1cnn(C)c1 ZINC001374080710 930418372 /nfs/dbraw/zinc/41/83/72/930418372.db2.gz QTQIBLGSVZIPKM-LLVKDONJSA-N 2 2 290.371 0.228 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CCO ZINC001374450536 930510342 /nfs/dbraw/zinc/51/03/42/930510342.db2.gz HINRFNUMFUEHQC-QWHCGFSZSA-N 2 2 294.399 0.168 20 0 CCADLP Cc1ncc(C[N@@H+](C)CCN(C)C(=O)[C@@H]2CCC[NH+]2C)o1 ZINC001374471064 930520759 /nfs/dbraw/zinc/52/07/59/930520759.db2.gz IORVHNCIRVBCKM-AWEZNQCLSA-N 2 2 294.399 0.967 20 0 CCADLP Cc1ncc(C[N@H+](C)CCN(C)C(=O)[C@@H]2CCC[NH+]2C)o1 ZINC001374471064 930520766 /nfs/dbraw/zinc/52/07/66/930520766.db2.gz IORVHNCIRVBCKM-AWEZNQCLSA-N 2 2 294.399 0.967 20 0 CCADLP Cc1ncc(C[NH+](C)CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001374471064 930520773 /nfs/dbraw/zinc/52/07/73/930520773.db2.gz IORVHNCIRVBCKM-AWEZNQCLSA-N 2 2 294.399 0.967 20 0 CCADLP Cc1ncc(C[NH+](C)CCN(C)C(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001374471064 930520778 /nfs/dbraw/zinc/52/07/78/930520778.db2.gz IORVHNCIRVBCKM-AWEZNQCLSA-N 2 2 294.399 0.967 20 0 CCADLP CN(CC[N@H+](C)CCn1cccn1)C(=O)Cc1c[nH+]c[nH]1 ZINC001374538073 930549860 /nfs/dbraw/zinc/54/98/60/930549860.db2.gz HKEWHIPVUNXPKV-UHFFFAOYSA-N 2 2 290.371 0.239 20 0 CCADLP CN(CC[N@@H+](C)CCn1cccn1)C(=O)Cc1c[nH+]c[nH]1 ZINC001374538073 930549866 /nfs/dbraw/zinc/54/98/66/930549866.db2.gz HKEWHIPVUNXPKV-UHFFFAOYSA-N 2 2 290.371 0.239 20 0 CCADLP CC(C)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001447290711 930599300 /nfs/dbraw/zinc/59/93/00/930599300.db2.gz OQNUPRTURHCVAN-ZDUSSCGKSA-N 2 2 280.372 0.425 20 0 CCADLP C[C@H](C[NH2+]C[C@H]1CCCCO1)NC(=O)CCn1cc[nH+]c1 ZINC001374796050 930667038 /nfs/dbraw/zinc/66/70/38/930667038.db2.gz PTCXCGQRMLNLQG-ZIAGYGMSSA-N 2 2 294.399 0.937 20 0 CCADLP Cc1ncc(C[NH2+]C[C@@H](C)NC(=O)Cn2cc[nH+]c2)o1 ZINC001374853406 930690975 /nfs/dbraw/zinc/69/09/75/930690975.db2.gz RCMOXXVMXCPCIO-SNVBAGLBSA-N 2 2 277.328 0.474 20 0 CCADLP C[C@@H](C[NH2+]Cc1csnn1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001374961037 930736339 /nfs/dbraw/zinc/73/63/39/930736339.db2.gz GYIYVSYWAIFFMV-QWRGUYRKSA-N 2 2 297.428 0.474 20 0 CCADLP C[C@@H](C[NH2+]Cc1csnn1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001374961037 930736346 /nfs/dbraw/zinc/73/63/46/930736346.db2.gz GYIYVSYWAIFFMV-QWRGUYRKSA-N 2 2 297.428 0.474 20 0 CCADLP CC[C@H](C(=O)NCC1([NH2+]Cc2ncccn2)CC1)[NH+](C)C ZINC001375434011 930885614 /nfs/dbraw/zinc/88/56/14/930885614.db2.gz AMRZPFCBXNTZPO-GFCCVEGCSA-N 2 2 291.399 0.555 20 0 CCADLP CO[C@H](C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001448436776 930889697 /nfs/dbraw/zinc/88/96/97/930889697.db2.gz GCMDQYAZJGUUDI-ZRJCITRHSA-N 2 2 292.383 0.281 20 0 CCADLP CO[C@H](C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001448436776 930889700 /nfs/dbraw/zinc/88/97/00/930889700.db2.gz GCMDQYAZJGUUDI-ZRJCITRHSA-N 2 2 292.383 0.281 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001448601895 930922667 /nfs/dbraw/zinc/92/26/67/930922667.db2.gz JGANQCXWPDASPG-OCCSQVGLSA-N 2 2 294.399 0.745 20 0 CCADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]C[C@@H]1CCCCO1 ZINC001448733620 930960745 /nfs/dbraw/zinc/96/07/45/930960745.db2.gz NWCZRLIKYPEZAD-JSGCOSHPSA-N 2 2 294.399 0.958 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@H](CO)[NH2+]CC1CCCC1 ZINC001448947029 931032454 /nfs/dbraw/zinc/03/24/54/931032454.db2.gz MJQRJYFZDHIQSS-CYBMUJFWSA-N 2 2 294.399 0.220 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC1(O)C[NH+](CC[C@@H](C)F)C1 ZINC001376266990 931109786 /nfs/dbraw/zinc/10/97/86/931109786.db2.gz GFUARBDKWHGRHZ-GFCCVEGCSA-N 2 2 289.395 0.239 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC1(O)C[NH+](CC[C@@H](C)F)C1 ZINC001376266990 931109790 /nfs/dbraw/zinc/10/97/90/931109790.db2.gz GFUARBDKWHGRHZ-GFCCVEGCSA-N 2 2 289.395 0.239 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1CCC[N@H+](CCF)C1 ZINC001376515063 931169999 /nfs/dbraw/zinc/16/99/99/931169999.db2.gz GIERBLAHJNYEKT-CYBMUJFWSA-N 2 2 282.363 0.989 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@H]1CCC[N@@H+](CCF)C1 ZINC001376515063 931170003 /nfs/dbraw/zinc/17/00/03/931170003.db2.gz GIERBLAHJNYEKT-CYBMUJFWSA-N 2 2 282.363 0.989 20 0 CCADLP C[C@@H](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CCF ZINC001377047865 931368384 /nfs/dbraw/zinc/36/83/84/931368384.db2.gz LGJHLJISXYHVAI-RYUDHWBXSA-N 2 2 282.363 0.899 20 0 CCADLP Cc1nocc1C[NH2+][C@@H](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001377068630 931374044 /nfs/dbraw/zinc/37/40/44/931374044.db2.gz BOJASYDMUNCRCQ-JTQLQIEISA-N 2 2 291.355 0.933 20 0 CCADLP CC(C)OCC[NH+]1CCN([C@H](C)C[NH+]2CCOCC2)CC1 ZINC000091588484 349468574 /nfs/dbraw/zinc/46/85/74/349468574.db2.gz YWGPYTJJPYNJIB-MRXNPFEDSA-N 2 2 299.459 0.750 20 0 CCADLP C[C@H]1OCC[C@@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000092497058 349496370 /nfs/dbraw/zinc/49/63/70/349496370.db2.gz YJFSJDBHDNUZCP-OCCSQVGLSA-N 2 2 283.416 0.554 20 0 CCADLP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])ccn1 ZINC000423020391 282110152 /nfs/dbraw/zinc/11/01/52/282110152.db2.gz BFILITQKODYASV-UONOGXRCSA-N 3 2 278.400 0.991 20 0 CCADLP CSC[C@H](O)C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000599623562 361762176 /nfs/dbraw/zinc/76/21/76/361762176.db2.gz UDOLOVWRATZARR-CYBMUJFWSA-N 2 2 288.457 0.897 20 0 CCADLP C[C@H]1CC[C@H](C)[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093177767 349529967 /nfs/dbraw/zinc/52/99/67/349529967.db2.gz BWXBSPOLUHQRCX-STQMWFEESA-N 2 2 253.390 0.881 20 0 CCADLP C[C@H]1CC[C@H](C)[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093177767 349529970 /nfs/dbraw/zinc/52/99/70/349529970.db2.gz BWXBSPOLUHQRCX-STQMWFEESA-N 2 2 253.390 0.881 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)C[NH+](CC)CC)CCO1 ZINC000337572946 214164298 /nfs/dbraw/zinc/16/42/98/214164298.db2.gz UEBCMVUKQVEGEJ-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)C[NH+](CC)CC)CCO1 ZINC000337572946 214164299 /nfs/dbraw/zinc/16/42/99/214164299.db2.gz UEBCMVUKQVEGEJ-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000337649770 214196772 /nfs/dbraw/zinc/19/67/72/214196772.db2.gz ZWVFOKSOEXTZJX-LLVKDONJSA-N 2 2 250.346 0.656 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C ZINC000617505207 365660288 /nfs/dbraw/zinc/66/02/88/365660288.db2.gz XVJAHOMULRWJCS-AWEZNQCLSA-N 3 2 286.464 0.715 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)CCC[NH+](C)C ZINC000617505207 365660292 /nfs/dbraw/zinc/66/02/92/365660292.db2.gz XVJAHOMULRWJCS-AWEZNQCLSA-N 3 2 286.464 0.715 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617505207 365660295 /nfs/dbraw/zinc/66/02/95/365660295.db2.gz XVJAHOMULRWJCS-AWEZNQCLSA-N 3 2 286.464 0.715 20 0 CCADLP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617505207 365660299 /nfs/dbraw/zinc/66/02/99/365660299.db2.gz XVJAHOMULRWJCS-AWEZNQCLSA-N 3 2 286.464 0.715 20 0 CCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000617507514 365662897 /nfs/dbraw/zinc/66/28/97/365662897.db2.gz ZSWNRBZUODSTCU-ZDUSSCGKSA-N 3 2 295.431 0.731 20 0 CCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CCc1[nH]cc[nH+]1 ZINC000617507514 365662902 /nfs/dbraw/zinc/66/29/02/365662902.db2.gz ZSWNRBZUODSTCU-ZDUSSCGKSA-N 3 2 295.431 0.731 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnnn2C)[C@H](C)C1 ZINC000093638705 349548283 /nfs/dbraw/zinc/54/82/83/349548283.db2.gz JPNGUASEQRHMHG-DGCLKSJQSA-N 2 2 251.378 0.977 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnnn2C)[C@H](C)C1 ZINC000093638705 349548289 /nfs/dbraw/zinc/54/82/89/349548289.db2.gz JPNGUASEQRHMHG-DGCLKSJQSA-N 2 2 251.378 0.977 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnnn2C)[C@H](C)C1 ZINC000093638705 349548293 /nfs/dbraw/zinc/54/82/93/349548293.db2.gz JPNGUASEQRHMHG-DGCLKSJQSA-N 2 2 251.378 0.977 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnnn2C)[C@H](C)C1 ZINC000093638705 349548297 /nfs/dbraw/zinc/54/82/97/349548297.db2.gz JPNGUASEQRHMHG-DGCLKSJQSA-N 2 2 251.378 0.977 20 0 CCADLP CC1CCN(C(=O)C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)CC1 ZINC000094341614 349566729 /nfs/dbraw/zinc/56/67/29/349566729.db2.gz VCHOCOBAYKBIMD-OLZOCXBDSA-N 2 2 253.390 0.914 20 0 CCADLP CC1CCN(C(=O)C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)CC1 ZINC000094341614 349566732 /nfs/dbraw/zinc/56/67/32/349566732.db2.gz VCHOCOBAYKBIMD-OLZOCXBDSA-N 2 2 253.390 0.914 20 0 CCADLP CCOC(=O)COCC[NH+]1CCC([NH+](C)C)CC1 ZINC000094805205 349575160 /nfs/dbraw/zinc/57/51/60/349575160.db2.gz CPOSXFYMPFUCAR-UHFFFAOYSA-N 2 2 258.362 0.592 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000337752328 214246373 /nfs/dbraw/zinc/24/63/73/214246373.db2.gz JUNDFSHMKJJAAR-HNNXBMFYSA-N 2 2 285.432 0.836 20 0 CCADLP CC(C)CCOCCNC(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000337752328 214246376 /nfs/dbraw/zinc/24/63/76/214246376.db2.gz JUNDFSHMKJJAAR-HNNXBMFYSA-N 2 2 285.432 0.836 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@H]2CCC[C@@H]2C[NH3+])CCO1 ZINC000418458786 529392678 /nfs/dbraw/zinc/39/26/78/529392678.db2.gz JIZKLOLVDBBYGR-MCIONIFRSA-N 2 2 298.431 0.524 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2CCC[C@@H]2C[NH3+])CCO1 ZINC000418458786 529392679 /nfs/dbraw/zinc/39/26/79/529392679.db2.gz JIZKLOLVDBBYGR-MCIONIFRSA-N 2 2 298.431 0.524 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@@H](C)CCC[NH3+])CCO1 ZINC000418692228 529392702 /nfs/dbraw/zinc/39/27/02/529392702.db2.gz RUTJVFHQNTVCCE-QWHCGFSZSA-N 2 2 286.420 0.524 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@@H](C)CCC[NH3+])CCO1 ZINC000418692228 529392703 /nfs/dbraw/zinc/39/27/03/529392703.db2.gz RUTJVFHQNTVCCE-QWHCGFSZSA-N 2 2 286.420 0.524 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@@H](C)[NH2+]C)CCO1 ZINC000418628331 529392018 /nfs/dbraw/zinc/39/20/18/529392018.db2.gz OUEARDFXDVCMBS-VXGBXAGGSA-N 2 2 272.393 0.004 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H](C)[NH2+]C)CCO1 ZINC000418628331 529392019 /nfs/dbraw/zinc/39/20/19/529392019.db2.gz OUEARDFXDVCMBS-VXGBXAGGSA-N 2 2 272.393 0.004 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)CCn1cc[nH+]c1)C1CC1 ZINC000338057681 214381489 /nfs/dbraw/zinc/38/14/89/214381489.db2.gz YCIZSMIMUPVSAI-LBPRGKRZSA-N 2 2 250.346 0.730 20 0 CCADLP CCc1cc(NC[C@@H](O)C[NH+]2CCOCC2)cc[nH+]1 ZINC000450222177 529505967 /nfs/dbraw/zinc/50/59/67/529505967.db2.gz ANNFPBPXDOMJQG-CQSZACIVSA-N 2 2 265.357 0.171 20 0 CCADLP CC(C)N(C(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)C(C)C ZINC000107573921 349738109 /nfs/dbraw/zinc/73/81/09/349738109.db2.gz ZMVZXKIVNYSLFY-CHWSQXEVSA-N 2 2 253.390 0.783 20 0 CCADLP COC(=O)c1cnc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cn1 ZINC000600709248 362041183 /nfs/dbraw/zinc/04/11/83/362041183.db2.gz HGMWWMSWMUBSAR-GFCCVEGCSA-N 2 2 278.356 0.967 20 0 CCADLP COC(=O)c1cnc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cn1 ZINC000600709248 362041188 /nfs/dbraw/zinc/04/11/88/362041188.db2.gz HGMWWMSWMUBSAR-GFCCVEGCSA-N 2 2 278.356 0.967 20 0 CCADLP NC(=O)NC(=O)CC[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000600749597 362053890 /nfs/dbraw/zinc/05/38/90/362053890.db2.gz HRWZFLVEGZGJEW-GFCCVEGCSA-N 2 2 282.388 0.568 20 0 CCADLP NC(=O)NC(=O)CC[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000600749597 362053897 /nfs/dbraw/zinc/05/38/97/362053897.db2.gz HRWZFLVEGZGJEW-GFCCVEGCSA-N 2 2 282.388 0.568 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)Cc2c[nH+]cn2C)[C@H](C)CO1 ZINC000617725854 365733580 /nfs/dbraw/zinc/73/35/80/365733580.db2.gz PNMLYEBCWYQQPF-VXGBXAGGSA-N 2 2 280.372 0.188 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)Cc2c[nH+]cn2C)[C@H](C)CO1 ZINC000617725854 365733587 /nfs/dbraw/zinc/73/35/87/365733587.db2.gz PNMLYEBCWYQQPF-VXGBXAGGSA-N 2 2 280.372 0.188 20 0 CCADLP CC[C@H](C)[NH+]1CCN(C(=O)[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000456540375 529699308 /nfs/dbraw/zinc/69/93/08/529699308.db2.gz ZQTOXDBSBSRSBO-GJZGRUSLSA-N 2 2 296.459 0.565 20 0 CCADLP CCOC(=O)c1ncc(C[N@H+](C)CCOCC[NH3+])s1 ZINC000601325601 362222160 /nfs/dbraw/zinc/22/21/60/362222160.db2.gz MOUVBSFSSDQJBQ-UHFFFAOYSA-N 2 2 287.385 0.727 20 0 CCADLP CCOC(=O)c1ncc(C[N@@H+](C)CCOCC[NH3+])s1 ZINC000601325601 362222164 /nfs/dbraw/zinc/22/21/64/362222164.db2.gz MOUVBSFSSDQJBQ-UHFFFAOYSA-N 2 2 287.385 0.727 20 0 CCADLP COC(=O)c1cc(C2CC[NH+](C[C@H](C)[NH3+])CC2)no1 ZINC000601333062 362229820 /nfs/dbraw/zinc/22/98/20/362229820.db2.gz QLIDAAKYDWCVKQ-VIFPVBQESA-N 2 2 267.329 0.988 20 0 CCADLP Cc1ccn(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000617763579 365766984 /nfs/dbraw/zinc/76/69/84/365766984.db2.gz VNKPLRVQDMOIGW-UHFFFAOYSA-N 2 2 281.404 0.191 20 0 CCADLP Cc1ccn(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000617763579 365766988 /nfs/dbraw/zinc/76/69/88/365766988.db2.gz VNKPLRVQDMOIGW-UHFFFAOYSA-N 2 2 281.404 0.191 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC000617766624 365773054 /nfs/dbraw/zinc/77/30/54/365773054.db2.gz RHQNOYYMCGLZIY-CYBMUJFWSA-N 3 2 270.421 0.080 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC000617766624 365773059 /nfs/dbraw/zinc/77/30/59/365773059.db2.gz RHQNOYYMCGLZIY-CYBMUJFWSA-N 3 2 270.421 0.080 20 0 CCADLP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC000617766624 365773065 /nfs/dbraw/zinc/77/30/65/365773065.db2.gz RHQNOYYMCGLZIY-CYBMUJFWSA-N 3 2 270.421 0.080 20 0 CCADLP C[NH+](C)CCC[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC000617766624 365773071 /nfs/dbraw/zinc/77/30/71/365773071.db2.gz RHQNOYYMCGLZIY-CYBMUJFWSA-N 3 2 270.421 0.080 20 0 CCADLP Cc1n[nH]cc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767314 365773950 /nfs/dbraw/zinc/77/39/50/365773950.db2.gz OQSMJBILRJJQBW-UHFFFAOYSA-N 2 2 267.377 0.331 20 0 CCADLP Cc1n[nH]cc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767314 365773954 /nfs/dbraw/zinc/77/39/54/365773954.db2.gz OQSMJBILRJJQBW-UHFFFAOYSA-N 2 2 267.377 0.331 20 0 CCADLP Cc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)on1 ZINC000617767748 365774254 /nfs/dbraw/zinc/77/42/54/365774254.db2.gz BAASMVILAVZUGN-UHFFFAOYSA-N 2 2 268.361 0.596 20 0 CCADLP Cc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)on1 ZINC000617767748 365774257 /nfs/dbraw/zinc/77/42/57/365774257.db2.gz BAASMVILAVZUGN-UHFFFAOYSA-N 2 2 268.361 0.596 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc[nH]c(=O)c1 ZINC000617765544 365771681 /nfs/dbraw/zinc/77/16/81/365771681.db2.gz FVFVAVLBOGBSMK-UHFFFAOYSA-N 2 2 280.372 0.401 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc[nH]c(=O)c1 ZINC000617765544 365771685 /nfs/dbraw/zinc/77/16/85/365771685.db2.gz FVFVAVLBOGBSMK-UHFFFAOYSA-N 2 2 280.372 0.401 20 0 CCADLP CC(C)OCC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000114480560 349832881 /nfs/dbraw/zinc/83/28/81/349832881.db2.gz WTVVJPIQYACCLL-UHFFFAOYSA-N 2 2 252.362 0.952 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000114478648 349833218 /nfs/dbraw/zinc/83/32/18/349833218.db2.gz CRADZUOOAUWIRD-LLVKDONJSA-N 2 2 275.356 0.406 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(=O)n3[nH]ccc3n2)C1 ZINC000114478648 349833221 /nfs/dbraw/zinc/83/32/21/349833221.db2.gz CRADZUOOAUWIRD-LLVKDONJSA-N 2 2 275.356 0.406 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cccc3c2OCCO3)C1 ZINC000358165771 529809977 /nfs/dbraw/zinc/80/99/77/529809977.db2.gz OTHHAQKGMCMCPL-HNNXBMFYSA-N 2 2 278.352 0.614 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cccc3c2OCCO3)C1 ZINC000358165771 529809979 /nfs/dbraw/zinc/80/99/79/529809979.db2.gz OTHHAQKGMCMCPL-HNNXBMFYSA-N 2 2 278.352 0.614 20 0 CCADLP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358255940 529810434 /nfs/dbraw/zinc/81/04/34/529810434.db2.gz RCTVMZZACDEHDW-JSGCOSHPSA-N 2 2 264.373 0.454 20 0 CCADLP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358255940 529810435 /nfs/dbraw/zinc/81/04/35/529810435.db2.gz RCTVMZZACDEHDW-JSGCOSHPSA-N 2 2 264.373 0.454 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418590937 529910896 /nfs/dbraw/zinc/91/08/96/529910896.db2.gz UJAPGGQOLBYKKH-OLZOCXBDSA-N 2 2 284.404 0.230 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000423748895 529911240 /nfs/dbraw/zinc/91/12/40/529911240.db2.gz VCLIUCGSCIKRNT-HNNXBMFYSA-N 2 2 291.395 0.347 20 0 CCADLP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2csnn2)CC1 ZINC000573564622 334947488 /nfs/dbraw/zinc/94/74/88/334947488.db2.gz GXJZOEHOUFVLHH-NEPJUHHUSA-N 2 2 268.386 0.866 20 0 CCADLP Nc1cc[nH+]cc1C(=O)NCCC[NH+]1CCOCC1 ZINC000127108891 187283193 /nfs/dbraw/zinc/28/31/93/187283193.db2.gz OHIUGCRGSVAMSF-UHFFFAOYSA-N 2 2 264.329 0.116 20 0 CCADLP CCC(CC)[C@@H](C(=O)N[C@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000127163758 187286191 /nfs/dbraw/zinc/28/61/91/187286191.db2.gz IWUVTABDJUFGBL-KBPBESRZSA-N 2 2 283.416 0.602 20 0 CCADLP OCCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000163412407 290744490 /nfs/dbraw/zinc/74/44/90/290744490.db2.gz GUBJNSOATPWTJK-UHFFFAOYSA-N 2 2 256.269 0.615 20 0 CCADLP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000237606023 282384581 /nfs/dbraw/zinc/38/45/81/282384581.db2.gz CBZQCSZPYNKEEQ-AWEZNQCLSA-N 2 2 292.383 0.688 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCOC[C@H]2C2CC2)C1 ZINC000367346310 232314619 /nfs/dbraw/zinc/31/46/19/232314619.db2.gz JBYFXJOFPRZMMB-ZFWWWQNUSA-N 2 2 295.427 0.507 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCOC[C@H]2C2CC2)C1 ZINC000367346310 232314630 /nfs/dbraw/zinc/31/46/30/232314630.db2.gz JBYFXJOFPRZMMB-ZFWWWQNUSA-N 2 2 295.427 0.507 20 0 CCADLP C[C@H](C[N@H+](C)CCCn1cc[nH+]c1)CS(C)(=O)=O ZINC000119745472 349950880 /nfs/dbraw/zinc/95/08/80/349950880.db2.gz KFWBFEDKRRHHIV-GFCCVEGCSA-N 2 2 273.402 0.886 20 0 CCADLP C[C@H](C[N@@H+](C)CCCn1cc[nH+]c1)CS(C)(=O)=O ZINC000119745472 349950884 /nfs/dbraw/zinc/95/08/84/349950884.db2.gz KFWBFEDKRRHHIV-GFCCVEGCSA-N 2 2 273.402 0.886 20 0 CCADLP COC(=O)c1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)on1 ZINC000602624357 362718404 /nfs/dbraw/zinc/71/84/04/362718404.db2.gz UZOLFORYXPWTOE-VIFPVBQESA-N 2 2 276.296 0.762 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CN(c2ccncn2)C1 ZINC000631746442 370653773 /nfs/dbraw/zinc/65/37/73/370653773.db2.gz JULATNCUFIWSSU-BXUZGUMPSA-N 2 2 273.384 0.738 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CN(c2ccncn2)C1 ZINC000631746442 370653777 /nfs/dbraw/zinc/65/37/77/370653777.db2.gz JULATNCUFIWSSU-BXUZGUMPSA-N 2 2 273.384 0.738 20 0 CCADLP C[C@H]1C[C@H]([NH2+]C2CN(c3ccncn3)C2)CC[N@@H+]1C ZINC000631746799 370654495 /nfs/dbraw/zinc/65/44/95/370654495.db2.gz SAERBXYWIXIOCP-NWDGAFQWSA-N 2 2 261.373 0.738 20 0 CCADLP C[C@H]1C[C@H]([NH2+]C2CN(c3ccncn3)C2)CC[N@H+]1C ZINC000631746799 370654498 /nfs/dbraw/zinc/65/44/98/370654498.db2.gz SAERBXYWIXIOCP-NWDGAFQWSA-N 2 2 261.373 0.738 20 0 CCADLP COC(=O)CNC(=O)C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000602745846 362778094 /nfs/dbraw/zinc/77/80/94/362778094.db2.gz BNNPVODCKQWDKT-UHFFFAOYSA-N 2 2 279.340 0.201 20 0 CCADLP CCN(C#N)CC[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000602791571 362802355 /nfs/dbraw/zinc/80/23/55/362802355.db2.gz WDNNMAZYIBYFRS-HNNXBMFYSA-N 2 2 279.432 0.501 20 0 CCADLP CCN(C#N)CC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000602791571 362802356 /nfs/dbraw/zinc/80/23/56/362802356.db2.gz WDNNMAZYIBYFRS-HNNXBMFYSA-N 2 2 279.432 0.501 20 0 CCADLP C[C@@H]1C[NH+](C/C=C\C[N@@H+]2CCO[C@H](C)C2)CCO1 ZINC000255524210 137005031 /nfs/dbraw/zinc/00/50/31/137005031.db2.gz XBHHNCYVHWZQOA-JHZNUDOXSA-N 2 2 254.374 0.984 20 0 CCADLP C[C@@H]1C[NH+](C/C=C\C[N@H+]2CCO[C@H](C)C2)CCO1 ZINC000255524210 137005032 /nfs/dbraw/zinc/00/50/32/137005032.db2.gz XBHHNCYVHWZQOA-JHZNUDOXSA-N 2 2 254.374 0.984 20 0 CCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261570208 137008745 /nfs/dbraw/zinc/00/87/45/137008745.db2.gz KEUFXKRQGHZSMQ-YNEHKIRRSA-N 2 2 253.390 0.927 20 0 CCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261570208 137008746 /nfs/dbraw/zinc/00/87/46/137008746.db2.gz KEUFXKRQGHZSMQ-YNEHKIRRSA-N 2 2 253.390 0.927 20 0 CCADLP C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261575780 137009665 /nfs/dbraw/zinc/00/96/65/137009665.db2.gz BTOXVWMJEFRVTK-HZSPNIEDSA-N 2 2 265.401 0.929 20 0 CCADLP C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261575780 137009666 /nfs/dbraw/zinc/00/96/66/137009666.db2.gz BTOXVWMJEFRVTK-HZSPNIEDSA-N 2 2 265.401 0.929 20 0 CCADLP C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000261579144 137010202 /nfs/dbraw/zinc/01/02/02/137010202.db2.gz DPWVBGBMXSPORG-DZGCQCFKSA-N 2 2 265.401 0.930 20 0 CCADLP C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000261579144 137010203 /nfs/dbraw/zinc/01/02/03/137010203.db2.gz DPWVBGBMXSPORG-DZGCQCFKSA-N 2 2 265.401 0.930 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)no1 ZINC000261579326 137010246 /nfs/dbraw/zinc/01/02/46/137010246.db2.gz DSJJJRPYZWSLEC-AXFHLTTASA-N 2 2 264.329 0.591 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)no1 ZINC000261579326 137010247 /nfs/dbraw/zinc/01/02/47/137010247.db2.gz DSJJJRPYZWSLEC-AXFHLTTASA-N 2 2 264.329 0.591 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCC2(C1)CC[NH2+]CC2 ZINC000261586375 137010655 /nfs/dbraw/zinc/01/06/55/137010655.db2.gz IWXSVAMMOQGLMS-UHFFFAOYSA-N 2 2 262.357 0.875 20 0 CCADLP COC[C@H]([NH3+])C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000262462693 137044218 /nfs/dbraw/zinc/04/42/18/137044218.db2.gz XIGBYSOZMWNKNL-ZDUSSCGKSA-N 2 2 293.367 0.431 20 0 CCADLP CN(C)C(=O)c1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)[nH]1 ZINC000261764077 137018891 /nfs/dbraw/zinc/01/88/91/137018891.db2.gz LXKOGEVLAUTIFA-AWEZNQCLSA-N 2 2 264.373 0.887 20 0 CCADLP CN(C)C(=O)c1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)[nH]1 ZINC000261764077 137018892 /nfs/dbraw/zinc/01/88/92/137018892.db2.gz LXKOGEVLAUTIFA-AWEZNQCLSA-N 2 2 264.373 0.887 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2cocn2)C1 ZINC000261768478 137018912 /nfs/dbraw/zinc/01/89/12/137018912.db2.gz DMPNNJCMARHQKK-GFCCVEGCSA-N 2 2 264.329 0.071 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2cocn2)C1 ZINC000261768478 137018913 /nfs/dbraw/zinc/01/89/13/137018913.db2.gz DMPNNJCMARHQKK-GFCCVEGCSA-N 2 2 264.329 0.071 20 0 CCADLP C[N@@H+]1CCO[C@H](c2nc(C3([NH3+])CCCC3)no2)C1 ZINC000261808306 137021199 /nfs/dbraw/zinc/02/11/99/137021199.db2.gz PQDDFLYYNZYDHC-VIFPVBQESA-N 2 2 252.318 0.801 20 0 CCADLP C[N@H+]1CCO[C@H](c2nc(C3([NH3+])CCCC3)no2)C1 ZINC000261808306 137021200 /nfs/dbraw/zinc/02/12/00/137021200.db2.gz PQDDFLYYNZYDHC-VIFPVBQESA-N 2 2 252.318 0.801 20 0 CCADLP CCn1cc(C[N@H+](CCO)C[C@@H]2CCC[NH2+]C2)cn1 ZINC000261853956 137023133 /nfs/dbraw/zinc/02/31/33/137023133.db2.gz SZKVPOCEGWJRAW-CYBMUJFWSA-N 2 2 266.389 0.697 20 0 CCADLP CCn1cc(C[N@@H+](CCO)C[C@@H]2CCC[NH2+]C2)cn1 ZINC000261853956 137023134 /nfs/dbraw/zinc/02/31/34/137023134.db2.gz SZKVPOCEGWJRAW-CYBMUJFWSA-N 2 2 266.389 0.697 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CCOCC(F)F)C1 ZINC000262179723 137029675 /nfs/dbraw/zinc/02/96/75/137029675.db2.gz WKSILBMNODECIS-LLVKDONJSA-N 2 2 291.342 0.164 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CCOCC(F)F)C1 ZINC000262179723 137029676 /nfs/dbraw/zinc/02/96/76/137029676.db2.gz WKSILBMNODECIS-LLVKDONJSA-N 2 2 291.342 0.164 20 0 CCADLP COCC1(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC1 ZINC000535430678 290832208 /nfs/dbraw/zinc/83/22/08/290832208.db2.gz TUCLWYPEITUNQT-UHFFFAOYSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H](NC(=O)C[N@H+](C)C[C@@H](O)C[NH3+])c1ccccc1Cl ZINC000313611393 137078467 /nfs/dbraw/zinc/07/84/67/137078467.db2.gz XHULNJFISDWWQU-QWRGUYRKSA-N 2 2 299.802 0.769 20 0 CCADLP C[C@H](NC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])c1ccccc1Cl ZINC000313611393 137078468 /nfs/dbraw/zinc/07/84/68/137078468.db2.gz XHULNJFISDWWQU-QWRGUYRKSA-N 2 2 299.802 0.769 20 0 CCADLP Cc1ccc(C)c(OCC[N@H+](CC[NH3+])CCO)c1 ZINC000342388459 137091020 /nfs/dbraw/zinc/09/10/20/137091020.db2.gz NJDYLTLBMLZRPQ-UHFFFAOYSA-N 2 2 252.358 0.935 20 0 CCADLP Cc1ccc(C)c(OCC[N@@H+](CC[NH3+])CCO)c1 ZINC000342388459 137091021 /nfs/dbraw/zinc/09/10/21/137091021.db2.gz NJDYLTLBMLZRPQ-UHFFFAOYSA-N 2 2 252.358 0.935 20 0 CCADLP C[C@@H](CNC(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C)[NH+]1CCOCC1 ZINC000343611961 137145515 /nfs/dbraw/zinc/14/55/15/137145515.db2.gz DQLUACDZPNUQSB-MJBXVCDLSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H](CNC(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C)[NH+]1CCOCC1 ZINC000343611961 137145516 /nfs/dbraw/zinc/14/55/16/137145516.db2.gz DQLUACDZPNUQSB-MJBXVCDLSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NC[C@H]2C[NH+](C)CCO2)CCC[N@@H+]1C ZINC000343776205 137156540 /nfs/dbraw/zinc/15/65/40/137156540.db2.gz CWBJYMRFFDJLRS-FRRDWIJNSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NC[C@H]2C[NH+](C)CCO2)CCC[N@H+]1C ZINC000343776205 137156541 /nfs/dbraw/zinc/15/65/41/137156541.db2.gz CWBJYMRFFDJLRS-FRRDWIJNSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NC[C@H]2C[N@@H+](C)CCO2)CCC[NH+]1C ZINC000343776205 137156543 /nfs/dbraw/zinc/15/65/43/137156543.db2.gz CWBJYMRFFDJLRS-FRRDWIJNSA-N 2 2 284.404 0.099 20 0 CCADLP Cc1c[nH+]c(N[C@@H](C)C[NH+](C)C)nc1N[C@H](C)C[NH+](C)C ZINC000343803117 137158300 /nfs/dbraw/zinc/15/83/00/137158300.db2.gz HYKNHMYAZAYJDD-OLZOCXBDSA-N 3 2 294.447 0.931 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000343866173 137162790 /nfs/dbraw/zinc/16/27/90/137162790.db2.gz JCWBMYKLJGUVEA-YUTCNCBUSA-N 2 2 281.400 0.354 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000343866173 137162791 /nfs/dbraw/zinc/16/27/91/137162791.db2.gz JCWBMYKLJGUVEA-YUTCNCBUSA-N 2 2 281.400 0.354 20 0 CCADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccnc(N(C)C)n1 ZINC000344327416 137188987 /nfs/dbraw/zinc/18/89/87/137188987.db2.gz LUMGGVRKUJDTDK-AAEUAGOBSA-N 2 2 263.389 0.972 20 0 CCADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccnc(N(C)C)n1 ZINC000344327416 137188988 /nfs/dbraw/zinc/18/89/88/137188988.db2.gz LUMGGVRKUJDTDK-AAEUAGOBSA-N 2 2 263.389 0.972 20 0 CCADLP CC(C)[NH+]1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1 ZINC000019899753 348074209 /nfs/dbraw/zinc/07/42/09/348074209.db2.gz HMVXNNALHDHMTG-LBPRGKRZSA-N 2 2 260.403 0.636 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cccc(F)c2)CC1 ZINC000020473572 348077592 /nfs/dbraw/zinc/07/75/92/348077592.db2.gz OVPMJODLUONBIB-UHFFFAOYSA-N 2 2 265.332 0.689 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)CC1CC[NH2+]CC1 ZINC000038075986 348225609 /nfs/dbraw/zinc/22/56/09/348225609.db2.gz GUEWTEIIVQWQHD-UHFFFAOYSA-N 2 2 250.346 0.768 20 0 CCADLP O=C([C@@H]1CCC[NH2+]C1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000037800348 348205588 /nfs/dbraw/zinc/20/55/88/348205588.db2.gz USSCRDHOELMGOO-OAHLLOKOSA-N 2 2 288.395 0.725 20 0 CCADLP [NH3+][C@H](C(=O)N1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000037826995 348212598 /nfs/dbraw/zinc/21/25/98/348212598.db2.gz CXIRGTIDWKGTEW-AWEZNQCLSA-N 2 2 259.353 0.993 20 0 CCADLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCC[NH+]1CCC1 ZINC000345897379 137258538 /nfs/dbraw/zinc/25/85/38/137258538.db2.gz ZZEWQMTYKIBBDG-ZIAGYGMSSA-N 2 2 288.395 0.976 20 0 CCADLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)NC3CCOCC3)C2)C1 ZINC000339435196 215166747 /nfs/dbraw/zinc/16/67/47/215166747.db2.gz AEDYRHBPLDBKLP-INIZCTEOSA-N 2 2 295.427 0.699 20 0 CCADLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)NC3CCOCC3)C2)C1 ZINC000339435196 215166748 /nfs/dbraw/zinc/16/67/48/215166748.db2.gz AEDYRHBPLDBKLP-INIZCTEOSA-N 2 2 295.427 0.699 20 0 CCADLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)NC3CCOCC3)C2)C1 ZINC000339435196 215166750 /nfs/dbraw/zinc/16/67/50/215166750.db2.gz AEDYRHBPLDBKLP-INIZCTEOSA-N 2 2 295.427 0.699 20 0 CCADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)NC3CCOCC3)C2)C1 ZINC000339435196 215166752 /nfs/dbraw/zinc/16/67/52/215166752.db2.gz AEDYRHBPLDBKLP-INIZCTEOSA-N 2 2 295.427 0.699 20 0 CCADLP COCCN1CC[C@H]([NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)C1 ZINC000346346244 137280356 /nfs/dbraw/zinc/28/03/56/137280356.db2.gz XDFQDUCJLOXUMN-HZSPNIEDSA-N 2 2 255.406 0.779 20 0 CCADLP COCCN1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)C1 ZINC000346346244 137280357 /nfs/dbraw/zinc/28/03/57/137280357.db2.gz XDFQDUCJLOXUMN-HZSPNIEDSA-N 2 2 255.406 0.779 20 0 CCADLP COCCN1CCC[N@H+](CCn2cc[nH+]c2C)CC1=O ZINC000346419096 137285329 /nfs/dbraw/zinc/28/53/29/137285329.db2.gz PKCJSJDQPCNNNF-UHFFFAOYSA-N 2 2 280.372 0.372 20 0 CCADLP COCCN1CCC[N@@H+](CCn2cc[nH+]c2C)CC1=O ZINC000346419096 137285330 /nfs/dbraw/zinc/28/53/30/137285330.db2.gz PKCJSJDQPCNNNF-UHFFFAOYSA-N 2 2 280.372 0.372 20 0 CCADLP C[NH2+]CCC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000043600281 348311660 /nfs/dbraw/zinc/31/16/60/348311660.db2.gz BEVVSXAKESWFNY-UHFFFAOYSA-N 2 2 262.357 0.776 20 0 CCADLP CC(C)(CNC(=O)CC[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000043600448 348311888 /nfs/dbraw/zinc/31/18/88/348311888.db2.gz JTRWQZMXPAYTMJ-AWEZNQCLSA-N 2 2 297.443 0.993 20 0 CCADLP CC(C)c1nc(NCCN2CC[NH+](C)CC2)cc[nH+]1 ZINC000346617541 137295756 /nfs/dbraw/zinc/29/57/56/137295756.db2.gz GBQCUKODSSEFJH-UHFFFAOYSA-N 2 2 263.389 0.681 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+](CCC(F)(F)F)C[C@H](O)CO ZINC000346270219 137275935 /nfs/dbraw/zinc/27/59/35/137275935.db2.gz CPQWGMLCXHPNJK-NSHDSACASA-N 2 2 295.305 0.799 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+](CCC(F)(F)F)C[C@H](O)CO ZINC000346270219 137275936 /nfs/dbraw/zinc/27/59/36/137275936.db2.gz CPQWGMLCXHPNJK-NSHDSACASA-N 2 2 295.305 0.799 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+](CC(N)=O)CC(C)C)CC1 ZINC000046061270 348348895 /nfs/dbraw/zinc/34/88/95/348348895.db2.gz JWHLLVJTIXTWNG-UHFFFAOYSA-N 2 2 298.431 0.030 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+](CC(N)=O)CC(C)C)CC1 ZINC000046061270 348348898 /nfs/dbraw/zinc/34/88/98/348348898.db2.gz JWHLLVJTIXTWNG-UHFFFAOYSA-N 2 2 298.431 0.030 20 0 CCADLP CC[N@H+](C[C@@H]1CCC[NH2+]C1)[C@@H](C)CS(C)(=O)=O ZINC000346992763 137314596 /nfs/dbraw/zinc/31/45/96/137314596.db2.gz TXUJVJBQGIMDMA-NWDGAFQWSA-N 2 2 262.419 0.741 20 0 CCADLP CC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@@H](C)CS(C)(=O)=O ZINC000346992763 137314597 /nfs/dbraw/zinc/31/45/97/137314597.db2.gz TXUJVJBQGIMDMA-NWDGAFQWSA-N 2 2 262.419 0.741 20 0 CCADLP CC[N@H+](C[C@H]1CCC[NH2+]C1)[C@@H](C)CS(C)(=O)=O ZINC000346992766 137314601 /nfs/dbraw/zinc/31/46/01/137314601.db2.gz TXUJVJBQGIMDMA-RYUDHWBXSA-N 2 2 262.419 0.741 20 0 CCADLP CC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@@H](C)CS(C)(=O)=O ZINC000346992766 137314602 /nfs/dbraw/zinc/31/46/02/137314602.db2.gz TXUJVJBQGIMDMA-RYUDHWBXSA-N 2 2 262.419 0.741 20 0 CCADLP O[C@@H](C[NH2+]CCCCn1cc[nH+]c1)Cn1cccn1 ZINC000045107043 348333639 /nfs/dbraw/zinc/33/36/39/348333639.db2.gz XTARRWFSKMGQRD-ZDUSSCGKSA-N 2 2 263.345 0.511 20 0 CCADLP CC(C)N1CCO[C@H](C[NH+]2CCN(CC(C)(C)[NH3+])CC2)C1 ZINC000346846242 137308204 /nfs/dbraw/zinc/30/82/04/137308204.db2.gz NPGUOCMHQWMSAZ-OAHLLOKOSA-N 2 2 298.475 0.451 20 0 CCADLP C[NH+](C)C1(CNC(=O)NCC[NH+]2CCOCC2)CCCC1 ZINC000047617783 348381817 /nfs/dbraw/zinc/38/18/17/348381817.db2.gz LZZLMVYURPIXSN-UHFFFAOYSA-N 2 2 298.431 0.492 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@]1(C)CCOC1 ZINC000348047386 137370355 /nfs/dbraw/zinc/37/03/55/137370355.db2.gz OXYXULYZDVGZLL-MRXNPFEDSA-N 2 2 297.443 0.897 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@]1(C)CCOC1 ZINC000348047386 137370356 /nfs/dbraw/zinc/37/03/56/137370356.db2.gz OXYXULYZDVGZLL-MRXNPFEDSA-N 2 2 297.443 0.897 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CCOC3)CC2)CC1 ZINC000051463907 348489375 /nfs/dbraw/zinc/48/93/75/348489375.db2.gz BLSHCPLEEDTIMD-ZDUSSCGKSA-N 2 2 295.427 0.698 20 0 CCADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H](C)CS(C)(=O)=O ZINC000120570720 349993960 /nfs/dbraw/zinc/99/39/60/349993960.db2.gz DSALHHHLAGJEPK-NSHDSACASA-N 2 2 259.375 0.638 20 0 CCADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H](C)CS(C)(=O)=O ZINC000120570720 349993963 /nfs/dbraw/zinc/99/39/63/349993963.db2.gz DSALHHHLAGJEPK-NSHDSACASA-N 2 2 259.375 0.638 20 0 CCADLP CO[C@@H](C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050796880 348478870 /nfs/dbraw/zinc/47/88/70/348478870.db2.gz JXXAMQSXSGLODE-LBPRGKRZSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H](NC(=O)CCc1c[nH+]cn1C)[C@H]1C[N@H+](C)CCO1 ZINC000684464319 545676305 /nfs/dbraw/zinc/67/63/05/545676305.db2.gz TWHPAWIXUOXMTM-DGCLKSJQSA-N 2 2 280.372 0.188 20 0 CCADLP C[C@@H](NC(=O)CCc1c[nH+]cn1C)[C@H]1C[N@@H+](C)CCO1 ZINC000684464319 545676311 /nfs/dbraw/zinc/67/63/11/545676311.db2.gz TWHPAWIXUOXMTM-DGCLKSJQSA-N 2 2 280.372 0.188 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCc2ccccc2C1 ZINC000066483569 348744999 /nfs/dbraw/zinc/74/49/99/348744999.db2.gz ZGKUAFPXEKAVNN-INIZCTEOSA-N 2 2 278.396 0.984 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCc2ccccc2C1 ZINC000066483569 348745001 /nfs/dbraw/zinc/74/50/01/348745001.db2.gz ZGKUAFPXEKAVNN-INIZCTEOSA-N 2 2 278.396 0.984 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000066483569 348745004 /nfs/dbraw/zinc/74/50/04/348745004.db2.gz ZGKUAFPXEKAVNN-INIZCTEOSA-N 2 2 278.396 0.984 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000066483569 348745006 /nfs/dbraw/zinc/74/50/06/348745006.db2.gz ZGKUAFPXEKAVNN-INIZCTEOSA-N 2 2 278.396 0.984 20 0 CCADLP COCC[N@H+](C)CCNCc1c[nH+]c(N(C)C)n1C ZINC000070144159 348873276 /nfs/dbraw/zinc/87/32/76/348873276.db2.gz MQVCVAFQPCYOQV-UHFFFAOYSA-N 2 2 269.393 0.154 20 0 CCADLP COCC[N@@H+](C)CCNCc1c[nH+]c(N(C)C)n1C ZINC000070144159 348873280 /nfs/dbraw/zinc/87/32/80/348873280.db2.gz MQVCVAFQPCYOQV-UHFFFAOYSA-N 2 2 269.393 0.154 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCCN2CCOCC2)n1C ZINC000070142832 348873569 /nfs/dbraw/zinc/87/35/69/348873569.db2.gz YFAUFUDKUVHXCR-UHFFFAOYSA-N 2 2 281.404 0.298 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2cnn(C)c2)CC1 ZINC000078910146 349159637 /nfs/dbraw/zinc/15/96/37/349159637.db2.gz FIBFGECUXMCAFW-CYBMUJFWSA-N 2 2 293.415 0.405 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)Cc2cnn(C)c2)CC1 ZINC000078910146 349159640 /nfs/dbraw/zinc/15/96/40/349159640.db2.gz FIBFGECUXMCAFW-CYBMUJFWSA-N 2 2 293.415 0.405 20 0 CCADLP NC(=O)NC(=O)CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080984971 349237356 /nfs/dbraw/zinc/23/73/56/349237356.db2.gz XATSEQJAIVCVPZ-SECBINFHSA-N 2 2 265.317 0.174 20 0 CCADLP NC(=O)NC(=O)CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080984971 349237358 /nfs/dbraw/zinc/23/73/58/349237358.db2.gz XATSEQJAIVCVPZ-SECBINFHSA-N 2 2 265.317 0.174 20 0 CCADLP CCOC[C@H]1CC[N@@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000081519243 349271238 /nfs/dbraw/zinc/27/12/38/349271238.db2.gz GXOHLUGJGHMGGG-GJZGRUSLSA-N 2 2 297.443 0.897 20 0 CCADLP CCOC[C@H]1CC[N@H+]([C@@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000081519243 349271242 /nfs/dbraw/zinc/27/12/42/349271242.db2.gz GXOHLUGJGHMGGG-GJZGRUSLSA-N 2 2 297.443 0.897 20 0 CCADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC(=O)NC2CC2)C1 ZINC000081633260 349278816 /nfs/dbraw/zinc/27/88/16/349278816.db2.gz WRGDFPCCWZEAGX-CYBMUJFWSA-N 2 2 265.401 0.929 20 0 CCADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC(=O)NC2CC2)C1 ZINC000081633260 349278820 /nfs/dbraw/zinc/27/88/20/349278820.db2.gz WRGDFPCCWZEAGX-CYBMUJFWSA-N 2 2 265.401 0.929 20 0 CCADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC(=O)NC2CC2)C1 ZINC000081633260 349278823 /nfs/dbraw/zinc/27/88/23/349278823.db2.gz WRGDFPCCWZEAGX-CYBMUJFWSA-N 2 2 265.401 0.929 20 0 CCADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC000081633260 349278828 /nfs/dbraw/zinc/27/88/28/349278828.db2.gz WRGDFPCCWZEAGX-CYBMUJFWSA-N 2 2 265.401 0.929 20 0 CCADLP CN(CC[NH+]1CCCCC1)C[C@H](O)C[NH+]1CCOCC1 ZINC000083246132 349304527 /nfs/dbraw/zinc/30/45/27/349304527.db2.gz DBXWLKAQUOWNQF-HNNXBMFYSA-N 2 2 285.432 0.097 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1COCC[NH2+]1)c1cccs1 ZINC000088371674 349364240 /nfs/dbraw/zinc/36/42/40/349364240.db2.gz OOIODXSIDSGUDQ-QWRGUYRKSA-N 2 2 283.397 0.455 20 0 CCADLP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCCCn1cc[nH+]c1 ZINC000089450362 349387856 /nfs/dbraw/zinc/38/78/56/349387856.db2.gz NVNMOZSWVUFZTF-RYUDHWBXSA-N 2 2 250.346 0.764 20 0 CCADLP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926758 349413178 /nfs/dbraw/zinc/41/31/78/349413178.db2.gz LNYKVHKRHFNKQH-QWHCGFSZSA-N 2 2 293.415 0.845 20 0 CCADLP C[N@H+](CCC[NH3+])CC(=O)NC(=O)NC1CCCC1 ZINC000123325656 350073917 /nfs/dbraw/zinc/07/39/17/350073917.db2.gz BTNCOFYXTFJANJ-UHFFFAOYSA-N 2 2 256.350 0.035 20 0 CCADLP C[N@@H+](CCC[NH3+])CC(=O)NC(=O)NC1CCCC1 ZINC000123325656 350073921 /nfs/dbraw/zinc/07/39/21/350073921.db2.gz BTNCOFYXTFJANJ-UHFFFAOYSA-N 2 2 256.350 0.035 20 0 CCADLP CCCNC(=O)[C@@H](C)[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357647952 535102028 /nfs/dbraw/zinc/10/20/28/535102028.db2.gz NADRNTSRJJQGPW-GFCCVEGCSA-N 2 2 271.405 0.290 20 0 CCADLP CCCNC(=O)[C@@H](C)[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357647952 535102034 /nfs/dbraw/zinc/10/20/34/535102034.db2.gz NADRNTSRJJQGPW-GFCCVEGCSA-N 2 2 271.405 0.290 20 0 CCADLP C[N@@H+]1CCN(C(=O)/C=C/c2ccccc2)[C@H](C[NH3+])C1 ZINC000122631013 350068189 /nfs/dbraw/zinc/06/81/89/350068189.db2.gz GIKBYGRPIKEIDX-HSBSLETESA-N 2 2 259.353 0.801 20 0 CCADLP C[N@H+]1CCN(C(=O)/C=C/c2ccccc2)[C@H](C[NH3+])C1 ZINC000122631013 350068190 /nfs/dbraw/zinc/06/81/90/350068190.db2.gz GIKBYGRPIKEIDX-HSBSLETESA-N 2 2 259.353 0.801 20 0 CCADLP CC(C)C[NH+]1CCN(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000124809651 350108350 /nfs/dbraw/zinc/10/83/50/350108350.db2.gz LXHXZRWSJLJNOL-UHFFFAOYSA-N 2 2 298.431 0.302 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2ccc(F)cc2F)[C@@H](C[NH3+])C1 ZINC000124300077 350094251 /nfs/dbraw/zinc/09/42/51/350094251.db2.gz LPLLVSVDEJJBHB-LBPRGKRZSA-N 2 2 283.322 0.609 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2ccc(F)cc2F)[C@@H](C[NH3+])C1 ZINC000124300077 350094255 /nfs/dbraw/zinc/09/42/55/350094255.db2.gz LPLLVSVDEJJBHB-LBPRGKRZSA-N 2 2 283.322 0.609 20 0 CCADLP CC(C)[NH+](CCNC(=O)[C@@H](C)[NH+]1CCOCC1)C(C)C ZINC000339700289 215303325 /nfs/dbraw/zinc/30/33/25/215303325.db2.gz GCMIMLFSVDESHV-CQSZACIVSA-N 2 2 285.432 0.942 20 0 CCADLP OCCOC1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000129320047 350210853 /nfs/dbraw/zinc/21/08/53/350210853.db2.gz ZYRRDMOCVBAWNV-UHFFFAOYSA-N 2 2 253.346 0.747 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000091662262 180219949 /nfs/dbraw/zinc/21/99/49/180219949.db2.gz HOUSIHCFWQJAPN-CYBMUJFWSA-N 2 2 263.341 0.206 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000091662262 180219950 /nfs/dbraw/zinc/21/99/50/180219950.db2.gz HOUSIHCFWQJAPN-CYBMUJFWSA-N 2 2 263.341 0.206 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCC(=O)OC(C)(C)C)C1 ZINC000130051130 350228653 /nfs/dbraw/zinc/22/86/53/350228653.db2.gz WCMYYLCEYDWNKF-LBPRGKRZSA-N 2 2 299.415 0.328 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCC(=O)OC(C)(C)C)C1 ZINC000130051130 350228654 /nfs/dbraw/zinc/22/86/54/350228654.db2.gz WCMYYLCEYDWNKF-LBPRGKRZSA-N 2 2 299.415 0.328 20 0 CCADLP CC[C@@H]([NH3+])C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000130389634 350236552 /nfs/dbraw/zinc/23/65/52/350236552.db2.gz UPUJJXMNPQLIKD-DGCLKSJQSA-N 2 2 287.429 0.048 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000134524115 350367294 /nfs/dbraw/zinc/36/72/94/350367294.db2.gz CGALXMDNJNLUDQ-LLVKDONJSA-N 2 2 250.346 0.768 20 0 CCADLP CC(C)[C@]1(CO)CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000339711494 215309681 /nfs/dbraw/zinc/30/96/81/215309681.db2.gz RWLBKECIIHDESO-MRXNPFEDSA-N 2 2 297.443 0.491 20 0 CCADLP CC(C)[C@]1(CO)CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000339711494 215309683 /nfs/dbraw/zinc/30/96/83/215309683.db2.gz RWLBKECIIHDESO-MRXNPFEDSA-N 2 2 297.443 0.491 20 0 CCADLP C[C@@H](C(N)=O)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105862977 186081129 /nfs/dbraw/zinc/08/11/29/186081129.db2.gz PEQADLAMENPFGP-LBPRGKRZSA-N 2 2 279.388 0.153 20 0 CCADLP C[C@@H](C(N)=O)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105862977 186081130 /nfs/dbraw/zinc/08/11/30/186081130.db2.gz PEQADLAMENPFGP-LBPRGKRZSA-N 2 2 279.388 0.153 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000136084635 350414819 /nfs/dbraw/zinc/41/48/19/350414819.db2.gz ZXUUDHFZYSRMPR-NEPJUHHUSA-N 2 2 250.346 0.854 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000136084635 350414823 /nfs/dbraw/zinc/41/48/23/350414823.db2.gz ZXUUDHFZYSRMPR-NEPJUHHUSA-N 2 2 250.346 0.854 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccnnc1 ZINC000151723534 350508667 /nfs/dbraw/zinc/50/86/67/350508667.db2.gz FKMXWLAYRBZXSC-UHFFFAOYSA-N 2 2 291.399 0.575 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccnnc1 ZINC000151723534 350508670 /nfs/dbraw/zinc/50/86/70/350508670.db2.gz FKMXWLAYRBZXSC-UHFFFAOYSA-N 2 2 291.399 0.575 20 0 CCADLP CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107369483 186171630 /nfs/dbraw/zinc/17/16/30/186171630.db2.gz NWZACAAKWQRUPE-CABCVRRESA-N 2 2 296.459 0.613 20 0 CCADLP CCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107369483 186171633 /nfs/dbraw/zinc/17/16/33/186171633.db2.gz NWZACAAKWQRUPE-CABCVRRESA-N 2 2 296.459 0.613 20 0 CCADLP CC[N@H+](CC(=O)NCCCCN1CC[NH+](C)CC1)C1CC1 ZINC000151431956 350501387 /nfs/dbraw/zinc/50/13/87/350501387.db2.gz MFOFNNBFKCSBTP-UHFFFAOYSA-N 2 2 296.459 0.615 20 0 CCADLP CC[N@@H+](CC(=O)NCCCCN1CC[NH+](C)CC1)C1CC1 ZINC000151431956 350501391 /nfs/dbraw/zinc/50/13/91/350501391.db2.gz MFOFNNBFKCSBTP-UHFFFAOYSA-N 2 2 296.459 0.615 20 0 CCADLP C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1C)[NH+]1CCSCC1 ZINC000152559651 350532809 /nfs/dbraw/zinc/53/28/09/350532809.db2.gz VOXJRQGYMQQPCM-NWDGAFQWSA-N 2 2 271.430 0.634 20 0 CCADLP C[C@@H](C(=O)NC[C@H]1CCC[N@H+]1C)[NH+]1CCSCC1 ZINC000152559651 350532812 /nfs/dbraw/zinc/53/28/12/350532812.db2.gz VOXJRQGYMQQPCM-NWDGAFQWSA-N 2 2 271.430 0.634 20 0 CCADLP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc([S@](C)=O)cc1 ZINC000154331563 350583760 /nfs/dbraw/zinc/58/37/60/350583760.db2.gz ZPZFJSQAYIOIMK-MJLGCCKJSA-N 2 2 284.425 0.997 20 0 CCADLP C[N@@H+]1CCN(C(=O)CC2CCSCC2)[C@H](C[NH3+])C1 ZINC000157720542 350649128 /nfs/dbraw/zinc/64/91/28/350649128.db2.gz ROKJBQDITLFWRU-GFCCVEGCSA-N 2 2 271.430 0.621 20 0 CCADLP C[N@H+]1CCN(C(=O)CC2CCSCC2)[C@H](C[NH3+])C1 ZINC000157720542 350649132 /nfs/dbraw/zinc/64/91/32/350649132.db2.gz ROKJBQDITLFWRU-GFCCVEGCSA-N 2 2 271.430 0.621 20 0 CCADLP C[NH+](C)CC[C@](C)(O)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000573850535 334971670 /nfs/dbraw/zinc/97/16/70/334971670.db2.gz RWQJHWWXNLYHOT-WFASDCNBSA-N 2 2 294.399 0.264 20 0 CCADLP O=C1CC[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CN1 ZINC000111017963 186344421 /nfs/dbraw/zinc/34/44/21/186344421.db2.gz NBSMUIOGISORCX-ZDUSSCGKSA-N 2 2 274.368 0.919 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCOCC(F)(F)F)[C@H](C[NH3+])C1 ZINC000162487013 350744937 /nfs/dbraw/zinc/74/49/37/350744937.db2.gz BMXGBOHODJEEDX-SECBINFHSA-N 2 2 283.294 0.057 20 0 CCADLP C[N@H+]1CCN(C(=O)CCOCC(F)(F)F)[C@H](C[NH3+])C1 ZINC000162487013 350744940 /nfs/dbraw/zinc/74/49/40/350744940.db2.gz BMXGBOHODJEEDX-SECBINFHSA-N 2 2 283.294 0.057 20 0 CCADLP C[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000165937092 350794616 /nfs/dbraw/zinc/79/46/16/350794616.db2.gz CRUQVUIAYMHGFM-SECBINFHSA-N 2 2 253.371 0.570 20 0 CCADLP C[C@@H]([NH3+])C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000165937092 350794618 /nfs/dbraw/zinc/79/46/18/350794618.db2.gz CRUQVUIAYMHGFM-SECBINFHSA-N 2 2 253.371 0.570 20 0 CCADLP C[C@H](NC(=O)c1ccc(C[NH3+])cc1)[C@H](C)[NH+]1CCOCC1 ZINC000167690613 350813841 /nfs/dbraw/zinc/81/38/41/350813841.db2.gz ZWFXNKPYJCBWHM-STQMWFEESA-N 2 2 291.395 0.984 20 0 CCADLP COC(=O)CNC(=O)CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111244060 186375846 /nfs/dbraw/zinc/37/58/46/186375846.db2.gz LTVIPIHSUROIFX-UHFFFAOYSA-N 2 2 294.355 0.199 20 0 CCADLP C[NH+](C)[C@@H]1CCN(C(=O)NCCn2cc[nH+]c2)C1 ZINC000170826061 350865266 /nfs/dbraw/zinc/86/52/66/350865266.db2.gz BDIOTVGJXCTOCD-LLVKDONJSA-N 2 2 251.334 0.229 20 0 CCADLP COC(=O)C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000171306375 350900491 /nfs/dbraw/zinc/90/04/91/350900491.db2.gz HONNCAJKTMOCNQ-STQMWFEESA-N 2 2 284.400 0.981 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C[NH+](C)C)C[C@@H](C)O1 ZINC000171396054 350905577 /nfs/dbraw/zinc/90/55/77/350905577.db2.gz BTXDMMPYQBQVNG-MCIONIFRSA-N 2 2 283.416 0.648 20 0 CCADLP COCCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000171404515 350906957 /nfs/dbraw/zinc/90/69/57/350906957.db2.gz PJOJYJOUBSJCQV-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+](C)[C@@H]1CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)C1 ZINC000171543911 350915452 /nfs/dbraw/zinc/91/54/52/350915452.db2.gz UFYYARARWPQRJS-CHWSQXEVSA-N 2 2 291.399 0.578 20 0 CCADLP CO[C@H](C[NH3+])C(=O)NCc1[nH+]ccn1CC(C)C ZINC000353442764 137528615 /nfs/dbraw/zinc/52/86/15/137528615.db2.gz GRNNLPHFLVVKGF-SNVBAGLBSA-N 2 2 254.334 0.129 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000170904747 350872200 /nfs/dbraw/zinc/87/22/00/350872200.db2.gz SKJLAAIZGCZNSN-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000170904747 350872201 /nfs/dbraw/zinc/87/22/01/350872201.db2.gz SKJLAAIZGCZNSN-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000170904747 350872203 /nfs/dbraw/zinc/87/22/03/350872203.db2.gz SKJLAAIZGCZNSN-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000170904747 350872204 /nfs/dbraw/zinc/87/22/04/350872204.db2.gz SKJLAAIZGCZNSN-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)NCC(C)C)CC1 ZINC000173643886 351049024 /nfs/dbraw/zinc/04/90/24/351049024.db2.gz AVKSLORTBJBECO-CYBMUJFWSA-N 2 2 285.432 0.848 20 0 CCADLP C[C@@H](C[NH2+]Cc1ccc(CO)o1)C[NH+]1CCOCC1 ZINC000174417606 351084923 /nfs/dbraw/zinc/08/49/23/351084923.db2.gz LIFREKKUHBZZHU-LBPRGKRZSA-N 2 2 268.357 0.830 20 0 CCADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NCCCOC)C1 ZINC000177034313 351192613 /nfs/dbraw/zinc/19/26/13/351192613.db2.gz QSSDVVBHGFGEPF-CQSZACIVSA-N 2 2 285.432 0.803 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NCCCOC)C1 ZINC000177034313 351192615 /nfs/dbraw/zinc/19/26/15/351192615.db2.gz QSSDVVBHGFGEPF-CQSZACIVSA-N 2 2 285.432 0.803 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCCCOC)C1 ZINC000177034313 351192616 /nfs/dbraw/zinc/19/26/16/351192616.db2.gz QSSDVVBHGFGEPF-CQSZACIVSA-N 2 2 285.432 0.803 20 0 CCADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCCCOC)C1 ZINC000177034313 351192618 /nfs/dbraw/zinc/19/26/18/351192618.db2.gz QSSDVVBHGFGEPF-CQSZACIVSA-N 2 2 285.432 0.803 20 0 CCADLP CN(CC[NH+](C)C)C(=O)NCCCn1cc[nH+]c1 ZINC000176364701 351170987 /nfs/dbraw/zinc/17/09/87/351170987.db2.gz HMZVADWTZXXHRP-UHFFFAOYSA-N 2 2 253.350 0.476 20 0 CCADLP C[NH+](C)CC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000176517323 351177093 /nfs/dbraw/zinc/17/70/93/351177093.db2.gz JKCYDBVGWWMLNH-UHFFFAOYSA-N 2 2 297.443 0.947 20 0 CCADLP CCCC(=O)NCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177114943 351194193 /nfs/dbraw/zinc/19/41/93/351194193.db2.gz FUQNBLVIXVANIB-UHFFFAOYSA-N 2 2 298.431 0.045 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C[N@@H+]1C1CC1 ZINC000177216836 351196960 /nfs/dbraw/zinc/19/69/60/351196960.db2.gz NHLIOSDNQLRYEH-WZRBSPASSA-N 2 2 267.373 0.058 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C[N@H+]1C1CC1 ZINC000177216836 351196966 /nfs/dbraw/zinc/19/69/66/351196966.db2.gz NHLIOSDNQLRYEH-WZRBSPASSA-N 2 2 267.373 0.058 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C[NH+]1C1CC1 ZINC000177216836 351196970 /nfs/dbraw/zinc/19/69/70/351196970.db2.gz NHLIOSDNQLRYEH-WZRBSPASSA-N 2 2 267.373 0.058 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C[NH+]1C1CC1 ZINC000177216836 351196972 /nfs/dbraw/zinc/19/69/72/351196972.db2.gz NHLIOSDNQLRYEH-WZRBSPASSA-N 2 2 267.373 0.058 20 0 CCADLP CC[C@H](C)C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000180238454 351281625 /nfs/dbraw/zinc/28/16/25/351281625.db2.gz OUNOVZBBYDKDQP-UONOGXRCSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181025257 351299049 /nfs/dbraw/zinc/29/90/49/351299049.db2.gz DVTAOFPFXROBPS-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP O=C1C[C@H]([NH2+][C@@H]2CCSC2)CN1CC[NH+]1CCOCC1 ZINC000181034931 351300392 /nfs/dbraw/zinc/30/03/92/351300392.db2.gz VVIQSVVQYRPUDH-OLZOCXBDSA-N 2 2 299.440 0.015 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000185143274 351434242 /nfs/dbraw/zinc/43/42/42/351434242.db2.gz SIBVPJWHWZBGSF-CYBMUJFWSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000185143274 351434243 /nfs/dbraw/zinc/43/42/43/351434243.db2.gz SIBVPJWHWZBGSF-CYBMUJFWSA-N 2 2 298.431 0.443 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC=C(COC)CC2)CC1 ZINC000185853752 351461389 /nfs/dbraw/zinc/46/13/89/351461389.db2.gz WHFOCIOISAATSY-AWEZNQCLSA-N 2 2 295.427 0.818 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC=C(COC)CC2)CC1 ZINC000185853752 351461392 /nfs/dbraw/zinc/46/13/92/351461392.db2.gz WHFOCIOISAATSY-AWEZNQCLSA-N 2 2 295.427 0.818 20 0 CCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188707885 351619848 /nfs/dbraw/zinc/61/98/48/351619848.db2.gz YPTFZADSBAYLBK-QWHCGFSZSA-N 2 2 292.358 0.998 20 0 CCADLP C[N@@H+]1CC[C@]2(CCN(C(=O)NCCn3cc[nH+]c3)C2)C1 ZINC000291765603 198084835 /nfs/dbraw/zinc/08/48/35/198084835.db2.gz VGEFOOJQLATGAR-AWEZNQCLSA-N 2 2 277.372 0.620 20 0 CCADLP C[N@H+]1CC[C@]2(CCN(C(=O)NCCn3cc[nH+]c3)C2)C1 ZINC000291765603 198084837 /nfs/dbraw/zinc/08/48/37/198084837.db2.gz VGEFOOJQLATGAR-AWEZNQCLSA-N 2 2 277.372 0.620 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123815229 187110182 /nfs/dbraw/zinc/11/01/82/187110182.db2.gz VPEABZXBGYZLGG-STQMWFEESA-N 2 2 298.431 0.883 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123815229 187110183 /nfs/dbraw/zinc/11/01/83/187110183.db2.gz VPEABZXBGYZLGG-STQMWFEESA-N 2 2 298.431 0.883 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123815229 187110184 /nfs/dbraw/zinc/11/01/84/187110184.db2.gz VPEABZXBGYZLGG-STQMWFEESA-N 2 2 298.431 0.883 20 0 CCADLP CC(C)CNC(=O)NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123815229 187110185 /nfs/dbraw/zinc/11/01/85/187110185.db2.gz VPEABZXBGYZLGG-STQMWFEESA-N 2 2 298.431 0.883 20 0 CCADLP CC[C@@]1(C(=O)N[C@@H](C)Cn2cc[nH+]c2)CCC[NH2+]1 ZINC000215360020 351935760 /nfs/dbraw/zinc/93/57/60/351935760.db2.gz NFDFOOUIJJGTFA-AAEUAGOBSA-N 2 2 250.346 0.920 20 0 CCADLP C[C@H]([NH3+])C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000195135094 351898283 /nfs/dbraw/zinc/89/82/83/351898283.db2.gz LUQLMNXXBDEPSW-ZDUSSCGKSA-N 2 2 277.368 0.557 20 0 CCADLP O=C(c1ccnc(-n2cc[nH+]c2)c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195213597 351903691 /nfs/dbraw/zinc/90/36/91/351903691.db2.gz LGWOXSWFWPCOEI-BETUJISGSA-N 2 2 283.335 0.559 20 0 CCADLP C[NH+]1CCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000228882777 352085652 /nfs/dbraw/zinc/08/56/52/352085652.db2.gz NBINSOUKDJOQOR-TYNCELHUSA-N 2 2 281.400 0.293 20 0 CCADLP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)NCCn1cc[nH+]c1 ZINC000228909364 352086058 /nfs/dbraw/zinc/08/60/58/352086058.db2.gz QGDYRHUQFLNMCB-LALPHHSUSA-N 2 2 292.383 0.532 20 0 CCADLP CC(C)NC(=O)[C@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000228928436 352086652 /nfs/dbraw/zinc/08/66/52/352086652.db2.gz IFCDUQJNHHFMOT-JTQLQIEISA-N 2 2 267.377 0.489 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCOCC[NH+](C)C)n1C ZINC000234257576 352156286 /nfs/dbraw/zinc/15/62/86/352156286.db2.gz UPUMTEMTYVIIIA-UHFFFAOYSA-N 3 2 269.393 0.154 20 0 CCADLP C[C@@H]1C[C@H](C(=O)NCCCn2cc[nH+]c2)CC[NH2+]1 ZINC000235359530 352182594 /nfs/dbraw/zinc/18/25/94/352182594.db2.gz SSCMVAXDLDBETD-VXGBXAGGSA-N 2 2 250.346 0.778 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000236805905 352216931 /nfs/dbraw/zinc/21/69/31/352216931.db2.gz BFWHPLDASKLLFE-ZDUSSCGKSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCOCC1 ZINC000237389713 352262916 /nfs/dbraw/zinc/26/29/16/352262916.db2.gz WSMYGORTMBDICE-FFHGMXDLSA-N 2 2 295.427 0.744 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000237136117 352245421 /nfs/dbraw/zinc/24/54/21/352245421.db2.gz ZSNIPXQLYRVCHH-AWEZNQCLSA-N 2 2 277.368 0.477 20 0 CCADLP [NH3+]CC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000237969763 352291570 /nfs/dbraw/zinc/29/15/70/352291570.db2.gz FYHQURKKCYXYED-UHFFFAOYSA-N 2 2 258.325 0.549 20 0 CCADLP [NH3+][C@H](C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1 ZINC000238022828 352295192 /nfs/dbraw/zinc/29/51/92/352295192.db2.gz PAHKDJVLCGHDFA-GJZGRUSLSA-N 2 2 289.379 0.666 20 0 CCADLP [NH3+][C@H](C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccccc1 ZINC000238022828 352295195 /nfs/dbraw/zinc/29/51/95/352295195.db2.gz PAHKDJVLCGHDFA-GJZGRUSLSA-N 2 2 289.379 0.666 20 0 CCADLP CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000245932876 352342766 /nfs/dbraw/zinc/34/27/66/352342766.db2.gz QWDCNZSPATWFOE-HUUCEWRRSA-N 2 2 296.459 0.613 20 0 CCADLP CC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000245932876 352342775 /nfs/dbraw/zinc/34/27/75/352342775.db2.gz QWDCNZSPATWFOE-HUUCEWRRSA-N 2 2 296.459 0.613 20 0 CCADLP C[C@H](CN1CCOCC1)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000245993385 352343753 /nfs/dbraw/zinc/34/37/53/352343753.db2.gz IFOPAMPXGWTRJI-CVEARBPZSA-N 2 2 297.443 0.361 20 0 CCADLP C[C@H](CN1CCOCC1)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000245993385 352343756 /nfs/dbraw/zinc/34/37/56/352343756.db2.gz IFOPAMPXGWTRJI-CVEARBPZSA-N 2 2 297.443 0.361 20 0 CCADLP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)N1CCOCC1 ZINC000247073670 352397123 /nfs/dbraw/zinc/39/71/23/352397123.db2.gz NDUCWNYEZPNGMS-IHRRRGAJSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)N1CCOCC1 ZINC000247073670 352397128 /nfs/dbraw/zinc/39/71/28/352397128.db2.gz NDUCWNYEZPNGMS-IHRRRGAJSA-N 2 2 283.416 0.696 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248149445 352432261 /nfs/dbraw/zinc/43/22/61/352432261.db2.gz QOPSCLQNHCNUSZ-QWHCGFSZSA-N 2 2 289.445 0.342 20 0 CCADLP CCS(=O)(=O)NCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248149445 352432263 /nfs/dbraw/zinc/43/22/63/352432263.db2.gz QOPSCLQNHCNUSZ-QWHCGFSZSA-N 2 2 289.445 0.342 20 0 CCADLP CCS(=O)(=O)NCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248149445 352432266 /nfs/dbraw/zinc/43/22/66/352432266.db2.gz QOPSCLQNHCNUSZ-QWHCGFSZSA-N 2 2 289.445 0.342 20 0 CCADLP CCS(=O)(=O)NCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248149445 352432268 /nfs/dbraw/zinc/43/22/68/352432268.db2.gz QOPSCLQNHCNUSZ-QWHCGFSZSA-N 2 2 289.445 0.342 20 0 CCADLP O=C(CC[C@H]1CCC[NH2+]1)NCCCn1cc[nH+]c1 ZINC000292107115 198165236 /nfs/dbraw/zinc/16/52/36/198165236.db2.gz OZIVHTZLDGXWJT-GFCCVEGCSA-N 2 2 250.346 0.922 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000250390065 352505221 /nfs/dbraw/zinc/50/52/21/352505221.db2.gz HJUKWEOQPYEDCR-NXEZZACHSA-N 2 2 256.350 0.034 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000250390065 352505222 /nfs/dbraw/zinc/50/52/22/352505222.db2.gz HJUKWEOQPYEDCR-NXEZZACHSA-N 2 2 256.350 0.034 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC2CCCC2)C1 ZINC000251049993 352508812 /nfs/dbraw/zinc/50/88/12/352508812.db2.gz RRSFKNMPQSTJJI-NEPJUHHUSA-N 2 2 253.390 0.975 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+]([C@H](C)C(=O)NC2CCCC2)C1 ZINC000251049993 352508815 /nfs/dbraw/zinc/50/88/15/352508815.db2.gz RRSFKNMPQSTJJI-NEPJUHHUSA-N 2 2 253.390 0.975 20 0 CCADLP CC[C@H]1C[N@H+](CC(=O)NC(=O)NCC(C)C)CC[C@H]1[NH3+] ZINC000251791843 352511871 /nfs/dbraw/zinc/51/18/71/352511871.db2.gz NPPHJZBJEZYKAW-NWDGAFQWSA-N 2 2 284.404 0.527 20 0 CCADLP CC[C@H]1C[N@@H+](CC(=O)NC(=O)NCC(C)C)CC[C@H]1[NH3+] ZINC000251791843 352511874 /nfs/dbraw/zinc/51/18/74/352511874.db2.gz NPPHJZBJEZYKAW-NWDGAFQWSA-N 2 2 284.404 0.527 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252414827 352514010 /nfs/dbraw/zinc/51/40/10/352514010.db2.gz JSUQLGAEFVHIBP-NWDGAFQWSA-N 2 2 282.388 0.296 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252414827 352514016 /nfs/dbraw/zinc/51/40/16/352514016.db2.gz JSUQLGAEFVHIBP-NWDGAFQWSA-N 2 2 282.388 0.296 20 0 CCADLP C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453371 352515080 /nfs/dbraw/zinc/51/50/80/352515080.db2.gz IGOVYZXOOCNMGB-RFGFWPKPSA-N 2 2 265.401 0.833 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NCC(C)(C)[NH3+] ZINC000418414412 234112220 /nfs/dbraw/zinc/11/22/20/234112220.db2.gz LDUSRLBQHGVNDT-LLVKDONJSA-N 2 2 272.393 0.086 20 0 CCADLP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000252513765 352518242 /nfs/dbraw/zinc/51/82/42/352518242.db2.gz PMUIMDJHVTWQTN-KIJLLGNVSA-N 2 2 269.389 0.147 20 0 CCADLP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000252513765 352518244 /nfs/dbraw/zinc/51/82/44/352518244.db2.gz PMUIMDJHVTWQTN-KIJLLGNVSA-N 2 2 269.389 0.147 20 0 CCADLP Cn1cc(N2CCC[C@@H]([N@@H+]3CC[C@@](C)(C[NH3+])C3)C2=O)cn1 ZINC000261862369 352564600 /nfs/dbraw/zinc/56/46/00/352564600.db2.gz SHXFSHQSSNPGBO-HIFRSBDPSA-N 2 2 291.399 0.586 20 0 CCADLP Cn1cc(N2CCC[C@@H]([N@H+]3CC[C@@](C)(C[NH3+])C3)C2=O)cn1 ZINC000261862369 352564603 /nfs/dbraw/zinc/56/46/03/352564603.db2.gz SHXFSHQSSNPGBO-HIFRSBDPSA-N 2 2 291.399 0.586 20 0 CCADLP CC(C)([NH3+])C[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261959819 352567706 /nfs/dbraw/zinc/56/77/06/352567706.db2.gz PDJSUNKGALQRHD-ZDUSSCGKSA-N 2 2 268.361 0.034 20 0 CCADLP CC(C)C[C@H]1C(=O)NCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261966135 352568558 /nfs/dbraw/zinc/56/85/58/352568558.db2.gz HVEKRVXHHZMFCI-JSGCOSHPSA-N 2 2 253.390 0.833 20 0 CCADLP CC(C)C[C@H]1C(=O)NCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000261966135 352568560 /nfs/dbraw/zinc/56/85/60/352568560.db2.gz HVEKRVXHHZMFCI-JSGCOSHPSA-N 2 2 253.390 0.833 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CN(CC(C)(C)[NH3+])CCN1C ZINC000262035681 352572031 /nfs/dbraw/zinc/57/20/31/352572031.db2.gz XQOHWECTBWSLIA-LLVKDONJSA-N 2 2 251.378 0.446 20 0 CCADLP CN(C)c1nccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000262112376 352578733 /nfs/dbraw/zinc/57/87/33/352578733.db2.gz WNWQICYPVBXXRU-CQSZACIVSA-N 2 2 261.373 0.728 20 0 CCADLP CN(C)c1nccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000262112376 352578738 /nfs/dbraw/zinc/57/87/38/352578738.db2.gz WNWQICYPVBXXRU-CQSZACIVSA-N 2 2 261.373 0.728 20 0 CCADLP CCN(C)C(=O)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604388763 363192394 /nfs/dbraw/zinc/19/23/94/363192394.db2.gz NSDAKGOJKDNGQC-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP CCN(C)C(=O)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604388763 363192397 /nfs/dbraw/zinc/19/23/97/363192397.db2.gz NSDAKGOJKDNGQC-CQSZACIVSA-N 2 2 282.432 0.177 20 0 CCADLP CC(C)NC(=O)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604388677 363192430 /nfs/dbraw/zinc/19/24/30/363192430.db2.gz HWTFNCDSXQQIOF-AWEZNQCLSA-N 2 2 282.432 0.223 20 0 CCADLP CC(C)NC(=O)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604388677 363192434 /nfs/dbraw/zinc/19/24/34/363192434.db2.gz HWTFNCDSXQQIOF-AWEZNQCLSA-N 2 2 282.432 0.223 20 0 CCADLP Cc1ncc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cn1 ZINC000604388433 363192510 /nfs/dbraw/zinc/19/25/10/363192510.db2.gz DERMLELCAMRYHI-INIZCTEOSA-N 2 2 289.427 0.997 20 0 CCADLP Cc1ncc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cn1 ZINC000604388433 363192513 /nfs/dbraw/zinc/19/25/13/363192513.db2.gz DERMLELCAMRYHI-INIZCTEOSA-N 2 2 289.427 0.997 20 0 CCADLP Cc1nc(NCCC[N@@H+]2CCC[C@H]2C(N)=O)cc[nH+]1 ZINC000266386567 352700195 /nfs/dbraw/zinc/70/01/95/352700195.db2.gz NOWXTDIQKAREPD-NSHDSACASA-N 2 2 263.345 0.537 20 0 CCADLP Cc1nc(NCCC[N@H+]2CCC[C@H]2C(N)=O)cc[nH+]1 ZINC000266386567 352700198 /nfs/dbraw/zinc/70/01/98/352700198.db2.gz NOWXTDIQKAREPD-NSHDSACASA-N 2 2 263.345 0.537 20 0 CCADLP C[C@H](CC[NH3+])NC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000418530489 234155869 /nfs/dbraw/zinc/15/58/69/234155869.db2.gz QZYPXBBVEPWCHJ-CYBMUJFWSA-N 2 2 291.399 0.646 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000418694767 234208061 /nfs/dbraw/zinc/20/80/61/234208061.db2.gz IMNZNQDXFQZRFC-CHWSQXEVSA-N 2 2 291.399 0.645 20 0 CCADLP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000418736043 234219573 /nfs/dbraw/zinc/21/95/73/234219573.db2.gz XVDMUDJKXABJRN-CHWSQXEVSA-N 2 2 291.399 0.957 20 0 CCADLP NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000270697042 352969760 /nfs/dbraw/zinc/96/97/60/352969760.db2.gz XIFFMIQRDJWOAC-GFCCVEGCSA-N 2 2 286.339 0.510 20 0 CCADLP NC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000270697042 352969766 /nfs/dbraw/zinc/96/97/66/352969766.db2.gz XIFFMIQRDJWOAC-GFCCVEGCSA-N 2 2 286.339 0.510 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000271174803 353029331 /nfs/dbraw/zinc/02/93/31/353029331.db2.gz YSFXOCQIPLZBHG-GFCCVEGCSA-N 2 2 277.372 0.757 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000271174803 353029333 /nfs/dbraw/zinc/02/93/33/353029333.db2.gz YSFXOCQIPLZBHG-GFCCVEGCSA-N 2 2 277.372 0.757 20 0 CCADLP C[N@@H+]1CC[C@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000272173658 353041018 /nfs/dbraw/zinc/04/10/18/353041018.db2.gz IRQPHNKOEXFNSJ-GFCCVEGCSA-N 2 2 285.351 0.949 20 0 CCADLP C[N@H+]1CC[C@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000272173658 353041021 /nfs/dbraw/zinc/04/10/21/353041021.db2.gz IRQPHNKOEXFNSJ-GFCCVEGCSA-N 2 2 285.351 0.949 20 0 CCADLP C[C@@H](CC(N)=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000272211849 353043629 /nfs/dbraw/zinc/04/36/29/353043629.db2.gz KSOAGAOWZVKHDV-WCQYABFASA-N 2 2 291.399 0.898 20 0 CCADLP CCOC(=O)[C@](C)(O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000274564153 353141287 /nfs/dbraw/zinc/14/12/87/353141287.db2.gz CUOMONIAVCDBPP-BXUZGUMPSA-N 2 2 281.356 0.903 20 0 CCADLP CCOC(=O)[C@](C)(O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000274564153 353141288 /nfs/dbraw/zinc/14/12/88/353141288.db2.gz CUOMONIAVCDBPP-BXUZGUMPSA-N 2 2 281.356 0.903 20 0 CCADLP CC[N@@H+]1CCO[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC000604720705 363209551 /nfs/dbraw/zinc/20/95/51/363209551.db2.gz NOAZJTVYERCNBD-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP CC[N@H+]1CCO[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC000604720705 363209555 /nfs/dbraw/zinc/20/95/55/363209555.db2.gz NOAZJTVYERCNBD-ZDUSSCGKSA-N 2 2 280.372 0.500 20 0 CCADLP C[NH+]1CCN(CCNc2cc(N3CCCC3)[nH+]cn2)CC1 ZINC000277588645 353253127 /nfs/dbraw/zinc/25/31/27/353253127.db2.gz TYSKVSRTJPPWGG-UHFFFAOYSA-N 2 2 290.415 0.736 20 0 CCADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000495060331 295864250 /nfs/dbraw/zinc/86/42/50/295864250.db2.gz QUPMDPMUAQYFMX-STQMWFEESA-N 2 2 283.416 0.744 20 0 CCADLP [NH3+][C@H]1CCCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000158527564 188380592 /nfs/dbraw/zinc/38/05/92/188380592.db2.gz YOEINFDAXXNMFC-LBPRGKRZSA-N 2 2 271.324 0.831 20 0 CCADLP [NH3+][C@@H]1CCCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000158527706 188380761 /nfs/dbraw/zinc/38/07/61/188380761.db2.gz YOEINFDAXXNMFC-GFCCVEGCSA-N 2 2 271.324 0.831 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000655457574 412579847 /nfs/dbraw/zinc/57/98/47/412579847.db2.gz ULVUXBOQOQMEBR-QJPTWQEYSA-N 2 2 262.357 0.832 20 0 CCADLP COCC[N@H+]1CCCN(C(=O)C=Cc2c[nH]c[nH+]2)CC1 ZINC000283466306 353510056 /nfs/dbraw/zinc/51/00/56/353510056.db2.gz MANQZSYMQYZGAM-ONEGZZNKSA-N 2 2 278.356 0.604 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@H]1CC[NH2+][C@@H]1C(C)C ZINC000290019703 353701983 /nfs/dbraw/zinc/70/19/83/353701983.db2.gz FGMDIYMJYJEMSY-CMPLNLGQSA-N 2 2 250.346 0.968 20 0 CCADLP Cn1c[nH+]cc1CC[NH2+][C@@](C)(C(N)=O)c1ccccc1 ZINC000290104887 353708449 /nfs/dbraw/zinc/70/84/49/353708449.db2.gz SIKIGUIUPWIEQZ-OAHLLOKOSA-N 2 2 272.352 0.953 20 0 CCADLP CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C1(C[NH3+])CCC1 ZINC000655465006 412582546 /nfs/dbraw/zinc/58/25/46/412582546.db2.gz OPIZRLJJXQWAER-LLVKDONJSA-N 2 2 262.357 0.785 20 0 CCADLP Cc1ccc(NC(=O)C(=O)NC[C@H](C)C[NH+](C)C)c(C)[nH+]1 ZINC000293265868 353799672 /nfs/dbraw/zinc/79/96/72/353799672.db2.gz TWKIRPZISVWMLS-JTQLQIEISA-N 2 2 292.383 0.951 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C ZINC000293148280 353793033 /nfs/dbraw/zinc/79/30/33/353793033.db2.gz KMICFISGNKBEMA-SNVBAGLBSA-N 2 2 294.355 0.343 20 0 CCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H](C)[N@H+]1C ZINC000294055289 353864611 /nfs/dbraw/zinc/86/46/11/353864611.db2.gz UQMYVLCJQKHCEQ-TXEJJXNPSA-N 2 2 250.346 0.824 20 0 CCADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H](C)[N@@H+]1C ZINC000294055289 353864612 /nfs/dbraw/zinc/86/46/12/353864612.db2.gz UQMYVLCJQKHCEQ-TXEJJXNPSA-N 2 2 250.346 0.824 20 0 CCADLP CC(C)[NH+]1CCN(c2cc(NC[C@H](C)O)[nH+]cn2)CC1 ZINC000294327982 353888956 /nfs/dbraw/zinc/88/89/56/353888956.db2.gz JDKBSIMXLVYKNN-LBPRGKRZSA-N 2 2 279.388 0.800 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000295254901 353892035 /nfs/dbraw/zinc/89/20/35/353892035.db2.gz QQTVMIQCTWBAKD-CYBMUJFWSA-N 2 2 291.399 0.057 20 0 CCADLP O=C1CCCN1C[C@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000304793488 354122800 /nfs/dbraw/zinc/12/28/00/354122800.db2.gz UAQCPIIGLRJFOV-CQSZACIVSA-N 2 2 292.383 0.503 20 0 CCADLP COC[C@]1(CNC(=O)Nc2cc[nH+]c(C)c2)CCC[NH2+]1 ZINC000556979387 291018993 /nfs/dbraw/zinc/01/89/93/291018993.db2.gz DDVZPYKDDYHMJR-CQSZACIVSA-N 2 2 278.356 0.702 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](CO)c1ccccc1 ZINC000310815780 354192604 /nfs/dbraw/zinc/19/26/04/354192604.db2.gz AUVFQUUUFOAPBW-ZIAGYGMSSA-N 2 2 252.358 0.622 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](CO)c1ccccc1 ZINC000310815780 354192606 /nfs/dbraw/zinc/19/26/06/354192606.db2.gz AUVFQUUUFOAPBW-ZIAGYGMSSA-N 2 2 252.358 0.622 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)CCc1ccncc1 ZINC000313036344 354212067 /nfs/dbraw/zinc/21/20/67/354212067.db2.gz FOYUNCWPSNIEKU-OAHLLOKOSA-N 2 2 281.400 0.495 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)CCc1ccncc1 ZINC000313036344 354212073 /nfs/dbraw/zinc/21/20/73/354212073.db2.gz FOYUNCWPSNIEKU-OAHLLOKOSA-N 2 2 281.400 0.495 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)CCc1ccncc1 ZINC000313036344 354212076 /nfs/dbraw/zinc/21/20/76/354212076.db2.gz FOYUNCWPSNIEKU-OAHLLOKOSA-N 2 2 281.400 0.495 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CCc3ccccc3NC2=O)CCCO1 ZINC000313350412 354214200 /nfs/dbraw/zinc/21/42/00/354214200.db2.gz MTZJBVVQYFDYSH-DZGCQCFKSA-N 2 2 289.379 0.990 20 0 CCADLP [NH3+]C[C@H]1C[N@H+]([C@@H]2CCc3ccccc3NC2=O)CCCO1 ZINC000313350412 354214204 /nfs/dbraw/zinc/21/42/04/354214204.db2.gz MTZJBVVQYFDYSH-DZGCQCFKSA-N 2 2 289.379 0.990 20 0 CCADLP C[C@H]1CCCN(C(=O)C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)C1 ZINC000314362008 354222247 /nfs/dbraw/zinc/22/22/47/354222247.db2.gz XUGNYMZFGFHFDV-GJZGRUSLSA-N 2 2 294.443 0.224 20 0 CCADLP C[C@H]1C[N@H+](CCCc2c[nH+]cn2C)C[C@H](CO)O1 ZINC000314454937 354222406 /nfs/dbraw/zinc/22/24/06/354222406.db2.gz YJHKGCOTBXXKNU-WCQYABFASA-N 2 2 253.346 0.434 20 0 CCADLP C[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)C[C@H](CO)O1 ZINC000314454937 354222410 /nfs/dbraw/zinc/22/24/10/354222410.db2.gz YJHKGCOTBXXKNU-WCQYABFASA-N 2 2 253.346 0.434 20 0 CCADLP CN1CCN(C[C@@H](O)C[NH+]2CCOCC2)c2ccc[nH+]c21 ZINC000328597301 354233398 /nfs/dbraw/zinc/23/33/98/354233398.db2.gz AAIKIFIRGLFORP-ZDUSSCGKSA-N 2 2 292.383 0.031 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCOC(C)(C)C)[C@H](C[NH3+])C1 ZINC000557137664 291023326 /nfs/dbraw/zinc/02/33/26/291023326.db2.gz LSHGVYNIBGPTNT-LLVKDONJSA-N 2 2 272.393 0.086 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCOC(C)(C)C)[C@H](C[NH3+])C1 ZINC000557137664 291023330 /nfs/dbraw/zinc/02/33/30/291023330.db2.gz LSHGVYNIBGPTNT-LLVKDONJSA-N 2 2 272.393 0.086 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000330364764 354326540 /nfs/dbraw/zinc/32/65/40/354326540.db2.gz WEYGSGZTANLDBY-JTQLQIEISA-N 2 2 259.375 0.556 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000330364764 354326543 /nfs/dbraw/zinc/32/65/43/354326543.db2.gz WEYGSGZTANLDBY-JTQLQIEISA-N 2 2 259.375 0.556 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH+](C)CCNS(=O)(=O)CC)C[C@H]1C ZINC000330365330 354327785 /nfs/dbraw/zinc/32/77/85/354327785.db2.gz KZXYKVJGWQRVNO-CHWSQXEVSA-N 2 2 291.461 0.730 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH+](C)CCNS(=O)(=O)CC)C[C@H]1C ZINC000330365330 354327787 /nfs/dbraw/zinc/32/77/87/354327787.db2.gz KZXYKVJGWQRVNO-CHWSQXEVSA-N 2 2 291.461 0.730 20 0 CCADLP CC[NH+]1CC[C@@H]([N@H+](C)CCNS(=O)(=O)CC)C[C@H]1C ZINC000330365330 354327790 /nfs/dbraw/zinc/32/77/90/354327790.db2.gz KZXYKVJGWQRVNO-CHWSQXEVSA-N 2 2 291.461 0.730 20 0 CCADLP CC[NH+]1CC[C@@H]([N@@H+](C)CCNS(=O)(=O)CC)C[C@H]1C ZINC000330365330 354327792 /nfs/dbraw/zinc/32/77/92/354327792.db2.gz KZXYKVJGWQRVNO-CHWSQXEVSA-N 2 2 291.461 0.730 20 0 CCADLP CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1C ZINC000330366267 354329924 /nfs/dbraw/zinc/32/99/24/354329924.db2.gz YVZRVTOPDAKZQZ-GFCCVEGCSA-N 2 2 286.401 0.205 20 0 CCADLP CNS(=O)(=O)C[C@H]1CCC[N@H+]1CCn1cc[nH+]c1C ZINC000330366267 354329926 /nfs/dbraw/zinc/32/99/26/354329926.db2.gz YVZRVTOPDAKZQZ-GFCCVEGCSA-N 2 2 286.401 0.205 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CC(C)C)C[C@H]1C ZINC000423894122 291026732 /nfs/dbraw/zinc/02/67/32/291026732.db2.gz LRFWCIJSTYMIAK-OLZOCXBDSA-N 2 2 299.415 0.456 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]([NH3+])CC(C)C)C[C@H]1C ZINC000423894122 291026733 /nfs/dbraw/zinc/02/67/33/291026733.db2.gz LRFWCIJSTYMIAK-OLZOCXBDSA-N 2 2 299.415 0.456 20 0 CCADLP Cn1cncc1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000330497006 354381518 /nfs/dbraw/zinc/38/15/18/354381518.db2.gz WXORDUOTRXJNMV-UHFFFAOYSA-N 2 2 252.362 0.357 20 0 CCADLP C[C@H](CNC(=O)C[NH2+]C1CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488075 412590585 /nfs/dbraw/zinc/59/05/85/412590585.db2.gz SQJLEZSXBWESDH-UTUOFQBUSA-N 2 2 269.389 0.352 20 0 CCADLP C[C@H](CNC(=O)C[NH2+]C1CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655488075 412590588 /nfs/dbraw/zinc/59/05/88/412590588.db2.gz SQJLEZSXBWESDH-UTUOFQBUSA-N 2 2 269.389 0.352 20 0 CCADLP C[C@H](CNC(=O)CC(F)(F)C[NH3+])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487705 412590759 /nfs/dbraw/zinc/59/07/59/412590759.db2.gz LPHJINPADJPRKY-MXWKQRLJSA-N 2 2 293.358 0.584 20 0 CCADLP C[C@H](CNC(=O)CC(F)(F)C[NH3+])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655487705 412590761 /nfs/dbraw/zinc/59/07/61/412590761.db2.gz LPHJINPADJPRKY-MXWKQRLJSA-N 2 2 293.358 0.584 20 0 CCADLP CN(C(=O)NCC[N@@H+]1CCOCC1(C)C)C1CC([NH3+])C1 ZINC000331435092 354573960 /nfs/dbraw/zinc/57/39/60/354573960.db2.gz NZNHCEGIHXPWMZ-UHFFFAOYSA-N 2 2 284.404 0.228 20 0 CCADLP CN(C(=O)NCC[N@H+]1CCOCC1(C)C)C1CC([NH3+])C1 ZINC000331435092 354573964 /nfs/dbraw/zinc/57/39/64/354573964.db2.gz NZNHCEGIHXPWMZ-UHFFFAOYSA-N 2 2 284.404 0.228 20 0 CCADLP C[C@H]1C[C@H](O)C[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000332394696 354660505 /nfs/dbraw/zinc/66/05/05/354660505.db2.gz OCQNXRHSMIWZBT-JSGCOSHPSA-N 2 2 291.399 0.184 20 0 CCADLP C[C@H]1C[C@H](O)C[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000332394696 354660507 /nfs/dbraw/zinc/66/05/07/354660507.db2.gz OCQNXRHSMIWZBT-JSGCOSHPSA-N 2 2 291.399 0.184 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000333357421 354756990 /nfs/dbraw/zinc/75/69/90/354756990.db2.gz KOHRGJSERQEDIW-OLZOCXBDSA-N 2 2 298.431 0.394 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000333357421 354756992 /nfs/dbraw/zinc/75/69/92/354756992.db2.gz KOHRGJSERQEDIW-OLZOCXBDSA-N 2 2 298.431 0.394 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333677179 354775242 /nfs/dbraw/zinc/77/52/42/354775242.db2.gz OEXOMSLQCHHOMW-IJEWVQPXSA-N 2 2 295.427 0.746 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000333677179 354775244 /nfs/dbraw/zinc/77/52/44/354775244.db2.gz OEXOMSLQCHHOMW-IJEWVQPXSA-N 2 2 295.427 0.746 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000333890611 354811006 /nfs/dbraw/zinc/81/10/06/354811006.db2.gz YCOVAKKLYJTRDC-OAHLLOKOSA-N 2 2 298.431 0.350 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC000335110687 354964758 /nfs/dbraw/zinc/96/47/58/354964758.db2.gz KIDOUMKDUAHNMI-NSHDSACASA-N 2 2 275.343 0.784 20 0 CCADLP CC1=C(C)C[N@H+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000335871080 355032868 /nfs/dbraw/zinc/03/28/68/355032868.db2.gz SCZGFJZNFMAQIT-UHFFFAOYSA-N 2 2 251.374 0.803 20 0 CCADLP CC1=C(C)C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000335871080 355032871 /nfs/dbraw/zinc/03/28/71/355032871.db2.gz SCZGFJZNFMAQIT-UHFFFAOYSA-N 2 2 251.374 0.803 20 0 CCADLP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)CCn1cc[nH+]c1 ZINC000335892017 355038691 /nfs/dbraw/zinc/03/86/91/355038691.db2.gz CCNFLKNDWYMDBV-RYUDHWBXSA-N 2 2 250.346 0.824 20 0 CCADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CCn1cc[nH+]c1 ZINC000335892017 355038692 /nfs/dbraw/zinc/03/86/92/355038692.db2.gz CCNFLKNDWYMDBV-RYUDHWBXSA-N 2 2 250.346 0.824 20 0 CCADLP Cc1nc(N2CCN(C(=O)C[C@H]3CCC[NH2+]3)CC2)cc[nH+]1 ZINC000423784665 235080763 /nfs/dbraw/zinc/08/07/63/235080763.db2.gz QGCOHUATOXCPTH-CYBMUJFWSA-N 2 2 289.383 0.576 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)c2c[nH+]ccc2N)C[C@H](C)O1 ZINC000423764957 235067280 /nfs/dbraw/zinc/06/72/80/235067280.db2.gz SYFLZLCXRQOZAA-TXEJJXNPSA-N 2 2 292.383 0.675 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)c2c[nH+]ccc2N)C[C@H](C)O1 ZINC000423764957 235067282 /nfs/dbraw/zinc/06/72/82/235067282.db2.gz SYFLZLCXRQOZAA-TXEJJXNPSA-N 2 2 292.383 0.675 20 0 CCADLP C[N@H+](CC(=O)N1CCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000335943619 355054551 /nfs/dbraw/zinc/05/45/51/355054551.db2.gz XUJGNVSUALNZBG-FUNVUKJBSA-N 2 2 251.374 0.776 20 0 CCADLP C[N@@H+](CC(=O)N1CCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000335943619 355054552 /nfs/dbraw/zinc/05/45/52/355054552.db2.gz XUJGNVSUALNZBG-FUNVUKJBSA-N 2 2 251.374 0.776 20 0 CCADLP C[NH+](CC(=O)N1CCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000335943619 355054554 /nfs/dbraw/zinc/05/45/54/355054554.db2.gz XUJGNVSUALNZBG-FUNVUKJBSA-N 2 2 251.374 0.776 20 0 CCADLP C[NH+](CC(=O)N1CCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000335943619 355054555 /nfs/dbraw/zinc/05/45/55/355054555.db2.gz XUJGNVSUALNZBG-FUNVUKJBSA-N 2 2 251.374 0.776 20 0 CCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@H]1CSC[NH2+]1 ZINC000423807999 235088089 /nfs/dbraw/zinc/08/80/89/235088089.db2.gz WSCDYBNHHKGESA-GHMZBOCLSA-N 2 2 278.381 0.439 20 0 CCADLP [NH3+][C@@H]1C[C@@H]1C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000424140558 235160854 /nfs/dbraw/zinc/16/08/54/235160854.db2.gz SMDJJDZUEOOMFU-ZNMIVQPWSA-N 2 2 289.379 0.523 20 0 CCADLP CO[C@@H](C)C[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000336706943 355143861 /nfs/dbraw/zinc/14/38/61/355143861.db2.gz YJLBFODQEMQULD-LBPRGKRZSA-N 2 2 252.362 0.573 20 0 CCADLP O=C(CC1CC[NH2+]CC1)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424180601 235171234 /nfs/dbraw/zinc/17/12/34/235171234.db2.gz VZMZQGLEKKLNKB-NSHDSACASA-N 2 2 275.343 0.737 20 0 CCADLP CS[C@@H]1CN(CCC[NH+]2CCOCC2)C[C@H]1[NH+](C)C ZINC000336803800 355179517 /nfs/dbraw/zinc/17/95/17/355179517.db2.gz ZUWGWUKRYPDUGE-ZIAGYGMSSA-N 2 2 287.473 0.686 20 0 CCADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@H]2COCC[NH2+]2)C1 ZINC000424181962 235172798 /nfs/dbraw/zinc/17/27/98/235172798.db2.gz SIZVIZRVTFLHTL-CHWSQXEVSA-N 2 2 292.383 0.190 20 0 CCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@H]1C[C@]12CC[NH2+]C2 ZINC000424186764 235173218 /nfs/dbraw/zinc/17/32/18/235173218.db2.gz HKBDAJWOGCXMTB-UMNHJUIQSA-N 2 2 273.327 0.347 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC(n2ccnc2)CC1)C1CC1 ZINC000336831069 355204894 /nfs/dbraw/zinc/20/48/94/355204894.db2.gz CNBZWGMTKMBLAM-HNNXBMFYSA-N 2 2 278.400 0.975 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(n2ccnc2)CC1)C1CC1 ZINC000336831069 355204899 /nfs/dbraw/zinc/20/48/99/355204899.db2.gz CNBZWGMTKMBLAM-HNNXBMFYSA-N 2 2 278.400 0.975 20 0 CCADLP Cc1cnn(CC[NH+]2CCC([N@H+](C)CCCO)CC2)c1 ZINC000336832554 355206227 /nfs/dbraw/zinc/20/62/27/355206227.db2.gz VNNQORBPDVMHFA-UHFFFAOYSA-N 2 2 280.416 0.970 20 0 CCADLP Cc1cnn(CC[NH+]2CCC([N@@H+](C)CCCO)CC2)c1 ZINC000336832554 355206229 /nfs/dbraw/zinc/20/62/29/355206229.db2.gz VNNQORBPDVMHFA-UHFFFAOYSA-N 2 2 280.416 0.970 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000336903627 355223939 /nfs/dbraw/zinc/22/39/39/355223939.db2.gz YIICRJMCXHYFHN-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000336903627 355223942 /nfs/dbraw/zinc/22/39/42/355223942.db2.gz YIICRJMCXHYFHN-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(O[C@H]2CCOC2)CC1)C1CC1 ZINC000336848919 355216782 /nfs/dbraw/zinc/21/67/82/355216782.db2.gz NZZDMMJIZIVAED-ZBFHGGJFSA-N 2 2 298.427 0.711 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(O[C@H]2CCOC2)CC1)C1CC1 ZINC000336848919 355216784 /nfs/dbraw/zinc/21/67/84/355216784.db2.gz NZZDMMJIZIVAED-ZBFHGGJFSA-N 2 2 298.427 0.711 20 0 CCADLP CN1CCC[C@@H]([N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000558627700 291063042 /nfs/dbraw/zinc/06/30/42/291063042.db2.gz BRQXKGMMIOYHEB-LSDHHAIUSA-N 2 2 295.427 0.651 20 0 CCADLP CN1CCC[C@@H]([N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000558627700 291063043 /nfs/dbraw/zinc/06/30/43/291063043.db2.gz BRQXKGMMIOYHEB-LSDHHAIUSA-N 2 2 295.427 0.651 20 0 CCADLP CCC[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1CC(=O)N(C)C1=O ZINC000338322611 355320790 /nfs/dbraw/zinc/32/07/90/355320790.db2.gz KWCTVSQKJRBHGP-QWHCGFSZSA-N 2 2 281.400 0.940 20 0 CCADLP CCC[N@@H+](CC[C@@H]1CCC[NH+]1C)[C@@H]1CC(=O)N(C)C1=O ZINC000338322611 355320794 /nfs/dbraw/zinc/32/07/94/355320794.db2.gz KWCTVSQKJRBHGP-QWHCGFSZSA-N 2 2 281.400 0.940 20 0 CCADLP CCC[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CC(=O)N(C)C1=O ZINC000338322611 355320799 /nfs/dbraw/zinc/32/07/99/355320799.db2.gz KWCTVSQKJRBHGP-QWHCGFSZSA-N 2 2 281.400 0.940 20 0 CCADLP CCC[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@H]1CC(=O)N(C)C1=O ZINC000338322611 355320801 /nfs/dbraw/zinc/32/08/01/355320801.db2.gz KWCTVSQKJRBHGP-QWHCGFSZSA-N 2 2 281.400 0.940 20 0 CCADLP C[C@@H](CO)[N@@H+]1CCCN(CC[NH+]2CCOC[C@H]2C)CC1 ZINC000337181047 355279248 /nfs/dbraw/zinc/27/92/48/355279248.db2.gz ASISGDGCTQYJJX-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H](CO)[N@H+]1CCCN(CC[NH+]2CCOC[C@H]2C)CC1 ZINC000337181047 355279253 /nfs/dbraw/zinc/27/92/53/355279253.db2.gz ASISGDGCTQYJJX-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H](CO)[NH+]1CCCN(CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000337181047 355279256 /nfs/dbraw/zinc/27/92/56/355279256.db2.gz ASISGDGCTQYJJX-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H](CO)[NH+]1CCCN(CC[N@H+]2CCOC[C@H]2C)CC1 ZINC000337181047 355279258 /nfs/dbraw/zinc/27/92/58/355279258.db2.gz ASISGDGCTQYJJX-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP CNS(=O)(=O)CCC[N@@H+]1C[C@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000337183482 355279983 /nfs/dbraw/zinc/27/99/83/355279983.db2.gz NPYQLJQAJASLDI-KGLIPLIRSA-N 2 2 297.424 0.352 20 0 CCADLP CNS(=O)(=O)CCC[N@H+]1C[C@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000337183482 355279986 /nfs/dbraw/zinc/27/99/86/355279986.db2.gz NPYQLJQAJASLDI-KGLIPLIRSA-N 2 2 297.424 0.352 20 0 CCADLP C[C@@H]1C[C@H]1CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340256672 355538615 /nfs/dbraw/zinc/53/86/15/355538615.db2.gz YWXWHXWMPYXZPN-OLZOCXBDSA-N 2 2 282.432 0.968 20 0 CCADLP COC[C@@](C)(CCO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425337435 235287223 /nfs/dbraw/zinc/28/72/23/235287223.db2.gz ABIPECYFXMOPQD-CYBMUJFWSA-N 2 2 270.377 0.363 20 0 CCADLP CS[C@H]1CN(c2nc(C)[nH+]c(N(C)C)n2)C[C@@H]1[NH+](C)C ZINC000340210024 355523288 /nfs/dbraw/zinc/52/32/88/355523288.db2.gz RQADEFAYIUSFKY-QWRGUYRKSA-N 2 2 296.444 0.728 20 0 CCADLP Cc1c[nH+]c(CNCCC[N@@H+]2CCC[C@H]2C(N)=O)n1C ZINC000341037152 355592071 /nfs/dbraw/zinc/59/20/71/355592071.db2.gz ZUKJAWXFSYVFDV-LBPRGKRZSA-N 2 2 279.388 0.158 20 0 CCADLP Cc1c[nH+]c(CNCCC[N@H+]2CCC[C@H]2C(N)=O)n1C ZINC000341037152 355592074 /nfs/dbraw/zinc/59/20/74/355592074.db2.gz ZUKJAWXFSYVFDV-LBPRGKRZSA-N 2 2 279.388 0.158 20 0 CCADLP Cc1ncc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)cn1 ZINC000341218568 355633015 /nfs/dbraw/zinc/63/30/15/355633015.db2.gz JEJGXQWGRGAPPS-CYBMUJFWSA-N 2 2 277.372 0.214 20 0 CCADLP Cc1ncc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)cn1 ZINC000341218568 355633019 /nfs/dbraw/zinc/63/30/19/355633019.db2.gz JEJGXQWGRGAPPS-CYBMUJFWSA-N 2 2 277.372 0.214 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000341691077 355715802 /nfs/dbraw/zinc/71/58/02/355715802.db2.gz DVHDKCLGRNUGMV-STQMWFEESA-N 2 2 291.461 0.035 20 0 CCADLP Cn1cc[nH+]c1[C@@H](NC[C@@H](O)C[NH+](C)C)C1CC1 ZINC000342790560 355747957 /nfs/dbraw/zinc/74/79/57/355747957.db2.gz CTIQOHNQYAXALD-NEPJUHHUSA-N 2 2 252.362 0.383 20 0 CCADLP COC(=O)C1(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000344204002 355789013 /nfs/dbraw/zinc/78/90/13/355789013.db2.gz ZFAHMNBUFPPJMP-AWEZNQCLSA-N 2 2 296.411 0.984 20 0 CCADLP COC(=O)C1(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000344204002 355789020 /nfs/dbraw/zinc/78/90/20/355789020.db2.gz ZFAHMNBUFPPJMP-AWEZNQCLSA-N 2 2 296.411 0.984 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000345434548 355825505 /nfs/dbraw/zinc/82/55/05/355825505.db2.gz MNWWVAPSUJPELZ-MJBXVCDLSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH+]1CCOC[C@@H]1C ZINC000345434548 355825508 /nfs/dbraw/zinc/82/55/08/355825508.db2.gz MNWWVAPSUJPELZ-MJBXVCDLSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000345434548 355825511 /nfs/dbraw/zinc/82/55/11/355825511.db2.gz MNWWVAPSUJPELZ-MJBXVCDLSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000345434548 355825515 /nfs/dbraw/zinc/82/55/15/355825515.db2.gz MNWWVAPSUJPELZ-MJBXVCDLSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428032632 235391753 /nfs/dbraw/zinc/39/17/53/235391753.db2.gz ONKIZRHEQPYXSJ-WOPDTQHZSA-N 2 2 296.415 0.683 20 0 CCADLP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428032632 235391754 /nfs/dbraw/zinc/39/17/54/235391754.db2.gz ONKIZRHEQPYXSJ-WOPDTQHZSA-N 2 2 296.415 0.683 20 0 CCADLP COc1cc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)c(F)cn1 ZINC000348313813 355911225 /nfs/dbraw/zinc/91/12/25/355911225.db2.gz RSHPPJACQUQBGA-QMTHXVAHSA-N 2 2 283.347 0.947 20 0 CCADLP COc1cc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c(F)cn1 ZINC000348313813 355911227 /nfs/dbraw/zinc/91/12/27/355911227.db2.gz RSHPPJACQUQBGA-QMTHXVAHSA-N 2 2 283.347 0.947 20 0 CCADLP C[C@@H](CNc1[nH+]cnc2[nH]ccc21)C[NH+]1CCOCC1 ZINC000348225838 355891170 /nfs/dbraw/zinc/89/11/70/355891170.db2.gz LOPZDLVOUVQCAD-NSHDSACASA-N 2 2 275.356 0.760 20 0 CCADLP COC[C@H](CO)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352698015 356056824 /nfs/dbraw/zinc/05/68/24/356056824.db2.gz MKMVPDPIELYCCM-VIFPVBQESA-N 2 2 259.375 0.302 20 0 CCADLP C[C@@H](NC(=O)NCC[N@H+](C)C1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000352730651 356065047 /nfs/dbraw/zinc/06/50/47/356065047.db2.gz JJVDTEBFQCFBRR-OLZOCXBDSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H](NC(=O)NCC[N@@H+](C)C1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000352730651 356065050 /nfs/dbraw/zinc/06/50/50/356065050.db2.gz JJVDTEBFQCFBRR-OLZOCXBDSA-N 2 2 298.431 0.489 20 0 CCADLP COC[C@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)OC ZINC000352733470 356066256 /nfs/dbraw/zinc/06/62/56/356066256.db2.gz RJPDULQMCSUPSY-JTQLQIEISA-N 2 2 273.402 0.956 20 0 CCADLP CCOC[C@@H](O)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352746153 356070063 /nfs/dbraw/zinc/07/00/63/356070063.db2.gz ATFKURUTNQOGHL-JTQLQIEISA-N 2 2 273.402 0.692 20 0 CCADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@]2(O)CCOC2)s1 ZINC000352758817 356072286 /nfs/dbraw/zinc/07/22/86/356072286.db2.gz IJWYLRDOKBRUGW-GFCCVEGCSA-N 2 2 271.386 0.446 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)C[N@@H+]1C1CC1 ZINC000346701849 291082830 /nfs/dbraw/zinc/08/28/30/291082830.db2.gz SUMCEWQGQGOOPY-QWHCGFSZSA-N 3 2 267.417 0.658 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)C[N@H+]1C1CC1 ZINC000346701849 291082832 /nfs/dbraw/zinc/08/28/32/291082832.db2.gz SUMCEWQGQGOOPY-QWHCGFSZSA-N 3 2 267.417 0.658 20 0 CCADLP Cc1cn[nH]c1C[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000352809885 356085937 /nfs/dbraw/zinc/08/59/37/356085937.db2.gz JWECBYSLGYSIKU-NSHDSACASA-N 2 2 252.362 0.776 20 0 CCADLP Cc1c[nH]nc1C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000352831032 356092247 /nfs/dbraw/zinc/09/22/47/356092247.db2.gz BRNQUCUYLCUTQU-GFCCVEGCSA-N 2 2 265.405 0.691 20 0 CCADLP C[NH+]1CCC([NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC000353099343 356156236 /nfs/dbraw/zinc/15/62/36/356156236.db2.gz KCFKQKVPLYJFAK-GFCCVEGCSA-N 2 2 295.349 0.933 20 0 CCADLP CO[C@H](C[NH3+])C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000353424481 356218688 /nfs/dbraw/zinc/21/86/88/356218688.db2.gz HHYHSSZBHSOWPV-VHSXEESVSA-N 2 2 252.318 0.089 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)NCc1[nH+]ccn1CC(C)C ZINC000353442758 356223612 /nfs/dbraw/zinc/22/36/12/356223612.db2.gz GRNNLPHFLVVKGF-JTQLQIEISA-N 2 2 254.334 0.129 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](CO)[C@@H]2CCOC2)C1 ZINC000360771480 138010316 /nfs/dbraw/zinc/01/03/16/138010316.db2.gz INSVHJATSWSUJW-REWJHTLYSA-N 2 2 256.390 0.561 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H](CO)[C@@H]2CCOC2)C1 ZINC000360771480 138010317 /nfs/dbraw/zinc/01/03/17/138010317.db2.gz INSVHJATSWSUJW-REWJHTLYSA-N 2 2 256.390 0.561 20 0 CCADLP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000360819183 138011850 /nfs/dbraw/zinc/01/18/50/138011850.db2.gz RUYVTWLSDROSFS-VHSXEESVSA-N 2 2 263.332 0.815 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000353667171 356269619 /nfs/dbraw/zinc/26/96/19/356269619.db2.gz GIUSGQSFOHKHNL-GFCCVEGCSA-N 2 2 265.361 0.037 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+]CCN2CCC2)CC1 ZINC000360955707 138017145 /nfs/dbraw/zinc/01/71/45/138017145.db2.gz SBPRTDRIPCJLJA-UHFFFAOYSA-N 2 2 283.416 0.699 20 0 CCADLP COC(=O)CCC[NH+]1CCC(NCC[NH+]2CCC2)CC1 ZINC000360955707 138017146 /nfs/dbraw/zinc/01/71/46/138017146.db2.gz SBPRTDRIPCJLJA-UHFFFAOYSA-N 2 2 283.416 0.699 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000361217685 138025099 /nfs/dbraw/zinc/02/50/99/138025099.db2.gz STJLNBVIXPCKQT-KFWWJZLASA-N 3 2 268.449 0.552 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000361217685 138025100 /nfs/dbraw/zinc/02/51/00/138025100.db2.gz STJLNBVIXPCKQT-KFWWJZLASA-N 3 2 268.449 0.552 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(N)=O)nc2)CC[N@@H+]1C ZINC000361925159 138038561 /nfs/dbraw/zinc/03/85/61/138038561.db2.gz HSMULCRBZMQIHW-PWSUYJOCSA-N 2 2 262.357 0.753 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(N)=O)nc2)CC[N@H+]1C ZINC000361925159 138038562 /nfs/dbraw/zinc/03/85/62/138038562.db2.gz HSMULCRBZMQIHW-PWSUYJOCSA-N 2 2 262.357 0.753 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000354281014 356381124 /nfs/dbraw/zinc/38/11/24/356381124.db2.gz GCLUQGVZWYOWAH-OLZOCXBDSA-N 2 2 292.383 0.597 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000354281014 356381127 /nfs/dbraw/zinc/38/11/27/356381127.db2.gz GCLUQGVZWYOWAH-OLZOCXBDSA-N 2 2 292.383 0.597 20 0 CCADLP CCOCCC[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362829240 138075976 /nfs/dbraw/zinc/07/59/76/138075976.db2.gz GDYFUIBFAIHPQS-ZDUSSCGKSA-N 2 2 269.389 0.309 20 0 CCADLP CCOCCC[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362829240 138075977 /nfs/dbraw/zinc/07/59/77/138075977.db2.gz GDYFUIBFAIHPQS-ZDUSSCGKSA-N 2 2 269.389 0.309 20 0 CCADLP Cc1ncccc1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362673493 138068662 /nfs/dbraw/zinc/06/86/62/138068662.db2.gz OBSYUENZGZBOAT-OAHLLOKOSA-N 2 2 288.395 0.786 20 0 CCADLP Cc1ncccc1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362673493 138068663 /nfs/dbraw/zinc/06/86/63/138068663.db2.gz OBSYUENZGZBOAT-OAHLLOKOSA-N 2 2 288.395 0.786 20 0 CCADLP Cc1noc(C)c1C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362698134 138070279 /nfs/dbraw/zinc/07/02/79/138070279.db2.gz NOUZMFCXFIIREO-ZDUSSCGKSA-N 2 2 292.383 0.688 20 0 CCADLP Cc1noc(C)c1C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000362698134 138070280 /nfs/dbraw/zinc/07/02/80/138070280.db2.gz NOUZMFCXFIIREO-ZDUSSCGKSA-N 2 2 292.383 0.688 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCCOCC2)CC1 ZINC000363134464 138086285 /nfs/dbraw/zinc/08/62/85/138086285.db2.gz HKSKSCRSXXLEQH-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCCOCC2)CC1 ZINC000363134464 138086286 /nfs/dbraw/zinc/08/62/86/138086286.db2.gz HKSKSCRSXXLEQH-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC000354787150 356498785 /nfs/dbraw/zinc/49/87/85/356498785.db2.gz JIMGUBCNZQJYNE-ZFWWWQNUSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC000354787150 356498786 /nfs/dbraw/zinc/49/87/86/356498786.db2.gz JIMGUBCNZQJYNE-ZFWWWQNUSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CC[C@@H](CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000354787150 356498787 /nfs/dbraw/zinc/49/87/87/356498787.db2.gz JIMGUBCNZQJYNE-ZFWWWQNUSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CC[C@@H](CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000354787150 356498788 /nfs/dbraw/zinc/49/87/88/356498788.db2.gz JIMGUBCNZQJYNE-ZFWWWQNUSA-N 2 2 295.427 0.698 20 0 CCADLP Cc1ccc(CCC[N@@H+]2CC[C@H](S(N)(=O)=O)C2)c[nH+]1 ZINC000354930214 356531262 /nfs/dbraw/zinc/53/12/62/356531262.db2.gz XBLASZDFWIGVSB-ZDUSSCGKSA-N 2 2 283.397 0.685 20 0 CCADLP Cc1ccc(CCC[N@H+]2CC[C@H](S(N)(=O)=O)C2)c[nH+]1 ZINC000354930214 356531268 /nfs/dbraw/zinc/53/12/68/356531268.db2.gz XBLASZDFWIGVSB-ZDUSSCGKSA-N 2 2 283.397 0.685 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2CCOC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000354945702 356534129 /nfs/dbraw/zinc/53/41/29/356534129.db2.gz BZWWSZBHYSUFRM-UONOGXRCSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2CCOC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000354945702 356534132 /nfs/dbraw/zinc/53/41/32/356534132.db2.gz BZWWSZBHYSUFRM-UONOGXRCSA-N 2 2 295.427 0.650 20 0 CCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000355404296 356625560 /nfs/dbraw/zinc/62/55/60/356625560.db2.gz RPQLIAWRDLXRQL-CHWSQXEVSA-N 2 2 284.404 0.053 20 0 CCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000355404296 356625562 /nfs/dbraw/zinc/62/55/62/356625562.db2.gz RPQLIAWRDLXRQL-CHWSQXEVSA-N 2 2 284.404 0.053 20 0 CCADLP C[C@@H]1CC[NH+](C)CCN1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000355404296 356625564 /nfs/dbraw/zinc/62/55/64/356625564.db2.gz RPQLIAWRDLXRQL-CHWSQXEVSA-N 2 2 284.404 0.053 20 0 CCADLP C[C@@H]1CC[NH+](C)CCN1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000355404296 356625566 /nfs/dbraw/zinc/62/55/66/356625566.db2.gz RPQLIAWRDLXRQL-CHWSQXEVSA-N 2 2 284.404 0.053 20 0 CCADLP C[C@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC[N@@H+]1CCO ZINC000355945097 356673018 /nfs/dbraw/zinc/67/30/18/356673018.db2.gz SYPWIWKJAUKTJD-QWHCGFSZSA-N 2 2 292.383 0.286 20 0 CCADLP C[C@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC[N@H+]1CCO ZINC000355945097 356673023 /nfs/dbraw/zinc/67/30/23/356673023.db2.gz SYPWIWKJAUKTJD-QWHCGFSZSA-N 2 2 292.383 0.286 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H](O)COc1ccccc1 ZINC000532451905 358510875 /nfs/dbraw/zinc/51/08/75/358510875.db2.gz IGPHPVMDIHCTRA-UMVBOHGHSA-N 2 2 264.369 0.966 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H](O)COc1ccccc1 ZINC000532451905 358510882 /nfs/dbraw/zinc/51/08/82/358510882.db2.gz IGPHPVMDIHCTRA-UMVBOHGHSA-N 2 2 264.369 0.966 20 0 CCADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000359296406 356797235 /nfs/dbraw/zinc/79/72/35/356797235.db2.gz CVCBUAYVHRRZAJ-BARDWOONSA-N 2 2 293.411 0.308 20 0 CCADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000359296406 356797238 /nfs/dbraw/zinc/79/72/38/356797238.db2.gz CVCBUAYVHRRZAJ-BARDWOONSA-N 2 2 293.411 0.308 20 0 CCADLP C[NH+](C)Cc1cc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)no1 ZINC000359356246 356808143 /nfs/dbraw/zinc/80/81/43/356808143.db2.gz BZZGBOMIFWWTOJ-GFCCVEGCSA-N 2 2 296.371 0.139 20 0 CCADLP CN(C)c1ncc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000359454798 356825088 /nfs/dbraw/zinc/82/50/88/356825088.db2.gz IJKXVEJBLJMKET-NXEZZACHSA-N 2 2 252.387 0.860 20 0 CCADLP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2cccnc2)CC1 ZINC000359515913 356836259 /nfs/dbraw/zinc/83/62/59/356836259.db2.gz PMARCIXUSYLEEP-UHFFFAOYSA-N 2 2 291.395 0.741 20 0 CCADLP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000359763676 356887431 /nfs/dbraw/zinc/88/74/31/356887431.db2.gz OQYIWVKOTBCUIE-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000359763676 356887435 /nfs/dbraw/zinc/88/74/35/356887435.db2.gz OQYIWVKOTBCUIE-ZIAGYGMSSA-N 2 2 285.432 0.944 20 0 CCADLP C[NH+]1CCC([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655684151 412645562 /nfs/dbraw/zinc/64/55/62/412645562.db2.gz YEQKVVJCUABYSA-HNNXBMFYSA-N 3 2 267.417 0.924 20 0 CCADLP C[C@H](CN1CCOCC1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655690506 412646203 /nfs/dbraw/zinc/64/62/03/412646203.db2.gz BSQJBHQEKSBYEV-GDBMZVCRSA-N 2 2 297.443 0.550 20 0 CCADLP Cc1cccc(NCCNC(=O)[C@@H]2CSC[NH2+]2)[nH+]1 ZINC000360176723 356965622 /nfs/dbraw/zinc/96/56/22/356965622.db2.gz XRUBWLBFZRPJPC-JTQLQIEISA-N 2 2 266.370 0.581 20 0 CCADLP CSCCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000610509695 363570839 /nfs/dbraw/zinc/57/08/39/363570839.db2.gz IEUJBBHLYPWYEJ-UHFFFAOYSA-N 2 2 288.461 0.675 20 0 CCADLP COCCN(C)CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655708196 412648156 /nfs/dbraw/zinc/64/81/56/412648156.db2.gz JRSNZAJMCFDTSZ-MRXNPFEDSA-N 2 2 299.459 0.798 20 0 CCADLP C[NH+]1CCC(CC(=O)NCC[N@@H+]2CCOCC2(C)C)CC1 ZINC000362745856 357056001 /nfs/dbraw/zinc/05/60/01/357056001.db2.gz DVSIFORDPFMXKK-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP C[NH+]1CCC(CC(=O)NCC[N@H+]2CCOCC2(C)C)CC1 ZINC000362745856 357056003 /nfs/dbraw/zinc/05/60/03/357056003.db2.gz DVSIFORDPFMXKK-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP COc1c[nH+]ccc1N1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000361527428 357049292 /nfs/dbraw/zinc/04/92/92/357049292.db2.gz RIGZGBSNOYBMGJ-LBPRGKRZSA-N 2 2 276.340 0.101 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)[C@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000619902477 366382488 /nfs/dbraw/zinc/38/24/88/366382488.db2.gz INNHJGWNCJLPQP-JSGCOSHPSA-N 2 2 293.415 0.623 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)[C@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000619902477 366382492 /nfs/dbraw/zinc/38/24/92/366382492.db2.gz INNHJGWNCJLPQP-JSGCOSHPSA-N 2 2 293.415 0.623 20 0 CCADLP C[C@@H](CNC(=O)C[C@@H]1CCC[NH2+]CC1)[NH+]1CCN(C)CC1 ZINC000364220313 357099079 /nfs/dbraw/zinc/09/90/79/357099079.db2.gz LWUAESZEOFIHPQ-LSDHHAIUSA-N 2 2 296.459 0.518 20 0 CCADLP NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cc[nH+]c(N)c1 ZINC000365342936 357144812 /nfs/dbraw/zinc/14/48/12/357144812.db2.gz JQJMQRPYSFZAHG-LOWVWBTDSA-N 2 2 260.341 0.580 20 0 CCADLP NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cc[nH+]c(N)c1 ZINC000365342936 357144813 /nfs/dbraw/zinc/14/48/13/357144813.db2.gz JQJMQRPYSFZAHG-LOWVWBTDSA-N 2 2 260.341 0.580 20 0 CCADLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)N(C)C ZINC000655730395 412651678 /nfs/dbraw/zinc/65/16/78/412651678.db2.gz JFZMLUIMSYHEPE-TZMCWYRMSA-N 2 2 283.416 0.696 20 0 CCADLP NC(=O)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655728896 412651749 /nfs/dbraw/zinc/65/17/49/412651749.db2.gz ZXBBMBNZUYUVNL-SNPRPXQTSA-N 2 2 295.427 0.873 20 0 CCADLP Nc1nccc([C@H]2CCC[N@H+](CCn3cc[nH+]c3)C2)n1 ZINC000366990560 357263792 /nfs/dbraw/zinc/26/37/92/357263792.db2.gz UBTDAKPCMUIVFK-LBPRGKRZSA-N 2 2 272.356 0.965 20 0 CCADLP Nc1nccc([C@H]2CCC[N@@H+](CCn3cc[nH+]c3)C2)n1 ZINC000366990560 357263795 /nfs/dbraw/zinc/26/37/95/357263795.db2.gz UBTDAKPCMUIVFK-LBPRGKRZSA-N 2 2 272.356 0.965 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN2C(=O)OC[C@H]2C1 ZINC000370547798 357355068 /nfs/dbraw/zinc/35/50/68/357355068.db2.gz HZGZOLNRGOPVBW-QWHCGFSZSA-N 2 2 267.373 0.997 20 0 CCADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN2C(=O)OC[C@H]2C1 ZINC000370547798 357355073 /nfs/dbraw/zinc/35/50/73/357355073.db2.gz HZGZOLNRGOPVBW-QWHCGFSZSA-N 2 2 267.373 0.997 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000370547798 357355077 /nfs/dbraw/zinc/35/50/77/357355077.db2.gz HZGZOLNRGOPVBW-QWHCGFSZSA-N 2 2 267.373 0.997 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000370547798 357355081 /nfs/dbraw/zinc/35/50/81/357355081.db2.gz HZGZOLNRGOPVBW-QWHCGFSZSA-N 2 2 267.373 0.997 20 0 CCADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(C)(C)O ZINC000655741351 412653689 /nfs/dbraw/zinc/65/36/89/412653689.db2.gz IETXNFQDMBSUMI-WCQYABFASA-N 2 2 256.390 0.989 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000376336738 357458665 /nfs/dbraw/zinc/45/86/65/357458665.db2.gz MTOXHTWESAPMPO-ZIAGYGMSSA-N 2 2 283.416 0.603 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000377393563 357570110 /nfs/dbraw/zinc/57/01/10/357570110.db2.gz SUPFPKFDOJTYGE-ZDUSSCGKSA-N 2 2 299.415 0.424 20 0 CCADLP CCOC(=O)CN(C)C(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000377393563 357570113 /nfs/dbraw/zinc/57/01/13/357570113.db2.gz SUPFPKFDOJTYGE-ZDUSSCGKSA-N 2 2 299.415 0.424 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000378382658 357677490 /nfs/dbraw/zinc/67/74/90/357677490.db2.gz NDOCLANXIPEJSH-ZIAGYGMSSA-N 2 2 281.400 0.119 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000378382658 357677493 /nfs/dbraw/zinc/67/74/93/357677493.db2.gz NDOCLANXIPEJSH-ZIAGYGMSSA-N 2 2 281.400 0.119 20 0 CCADLP NC(=O)[C@H]1C[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655793157 412662003 /nfs/dbraw/zinc/66/20/03/412662003.db2.gz VHPWVMGZXZSHEJ-KGYLQXTDSA-N 2 2 267.373 0.093 20 0 CCADLP CC1(C)CCC[NH2+][C@@H]1CNC(=O)NCC[NH+]1CCOCC1 ZINC000561087875 291116575 /nfs/dbraw/zinc/11/65/75/291116575.db2.gz XUPULMMUZCBGSR-CYBMUJFWSA-N 2 2 298.431 0.396 20 0 CCADLP C[C@H]1CN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC[C@H]1[NH3+] ZINC000417431321 358132473 /nfs/dbraw/zinc/13/24/73/358132473.db2.gz ZVPXRGOYYVXJPJ-QWHCGFSZSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@H]1CN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC[C@H]1[NH3+] ZINC000417431321 358132478 /nfs/dbraw/zinc/13/24/78/358132478.db2.gz ZVPXRGOYYVXJPJ-QWHCGFSZSA-N 2 2 298.431 0.476 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000417428591 358132577 /nfs/dbraw/zinc/13/25/77/358132577.db2.gz SQKKPXPCUCASRN-LBPRGKRZSA-N 2 2 286.420 0.252 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000417428591 358132580 /nfs/dbraw/zinc/13/25/80/358132580.db2.gz SQKKPXPCUCASRN-LBPRGKRZSA-N 2 2 286.420 0.252 20 0 CCADLP CC[C@H](O)C[NH+]1CCN(Cc2c[nH+]cn2CC)CC1 ZINC000417787025 358140979 /nfs/dbraw/zinc/14/09/79/358140979.db2.gz FQLBENCPOLHHMT-AWEZNQCLSA-N 2 2 266.389 0.792 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000422820977 358192896 /nfs/dbraw/zinc/19/28/96/358192896.db2.gz TWRJFEBRBPXKOT-UKRRQHHQSA-N 3 2 268.449 0.600 20 0 CCADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CC(C)(C)[NH3+])c1 ZINC000423287244 358198031 /nfs/dbraw/zinc/19/80/31/358198031.db2.gz LATSUSKFHMAEGK-SNVBAGLBSA-N 2 2 285.413 0.983 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000294728339 199154835 /nfs/dbraw/zinc/15/48/35/199154835.db2.gz XEOYFQONCBJVBD-GFCCVEGCSA-N 2 2 292.383 0.342 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245448190 283363605 /nfs/dbraw/zinc/36/36/05/283363605.db2.gz MRORYFFQVIOGDY-STQMWFEESA-N 2 2 296.415 0.638 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245448190 283363608 /nfs/dbraw/zinc/36/36/08/283363608.db2.gz MRORYFFQVIOGDY-STQMWFEESA-N 2 2 296.415 0.638 20 0 CCADLP COc1ccc(CC[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)cn1 ZINC000530221962 358381919 /nfs/dbraw/zinc/38/19/19/358381919.db2.gz QBWPKISPQJGRBL-JSGCOSHPSA-N 2 2 279.384 0.989 20 0 CCADLP COc1ccc(CC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cn1 ZINC000530221277 358380915 /nfs/dbraw/zinc/38/09/15/358380915.db2.gz OTKJQLDYWBTLHG-GOEBONIOSA-N 2 2 291.395 0.989 20 0 CCADLP C[C@]1(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)CC[NH2+]C1 ZINC000530247973 358386066 /nfs/dbraw/zinc/38/60/66/358386066.db2.gz FOFDPWCVBWFKAY-AGIUHOORSA-N 2 2 272.414 0.638 20 0 CCADLP C[C@]1(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)CC[NH2+]C1 ZINC000530247973 358386068 /nfs/dbraw/zinc/38/60/68/358386068.db2.gz FOFDPWCVBWFKAY-AGIUHOORSA-N 2 2 272.414 0.638 20 0 CCADLP CC(C)N1C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC1=O ZINC000567682217 358571148 /nfs/dbraw/zinc/57/11/48/358571148.db2.gz JXOVHHQTNSYUKA-WCQYABFASA-N 2 2 269.389 0.040 20 0 CCADLP CC(C)N1C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC1=O ZINC000567682217 358571153 /nfs/dbraw/zinc/57/11/53/358571153.db2.gz JXOVHHQTNSYUKA-WCQYABFASA-N 2 2 269.389 0.040 20 0 CCADLP COc1nccnc1C[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000294912885 199244740 /nfs/dbraw/zinc/24/47/40/199244740.db2.gz AIFKZGMYKOLIRC-LBPRGKRZSA-N 2 2 280.372 0.543 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCOC(C)(C)C)C[C@H](C)O1 ZINC000567681220 358571762 /nfs/dbraw/zinc/57/17/62/358571762.db2.gz MFXNNHQIVFUYJK-MJBXVCDLSA-N 2 2 288.432 0.861 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCOC(C)(C)C)C[C@H](C)O1 ZINC000567681220 358571766 /nfs/dbraw/zinc/57/17/66/358571766.db2.gz MFXNNHQIVFUYJK-MJBXVCDLSA-N 2 2 288.432 0.861 20 0 CCADLP COC(=O)c1coc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000562499056 291155631 /nfs/dbraw/zinc/15/56/31/291155631.db2.gz VYDDNRTXTJMQKK-HZMBPMFUSA-N 2 2 282.340 0.783 20 0 CCADLP COC(=O)c1coc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000562499056 291155632 /nfs/dbraw/zinc/15/56/32/291155632.db2.gz VYDDNRTXTJMQKK-HZMBPMFUSA-N 2 2 282.340 0.783 20 0 CCADLP C[C@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)CS(C)(=O)=O ZINC000567889356 358607075 /nfs/dbraw/zinc/60/70/75/358607075.db2.gz PGIJYFWQJZOSDE-OLZOCXBDSA-N 2 2 274.430 0.743 20 0 CCADLP C[C@H](C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)CS(C)(=O)=O ZINC000567889356 358607078 /nfs/dbraw/zinc/60/70/78/358607078.db2.gz PGIJYFWQJZOSDE-OLZOCXBDSA-N 2 2 274.430 0.743 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCCCC[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000567983198 358621664 /nfs/dbraw/zinc/62/16/64/358621664.db2.gz XXTQYCIFSURUGD-KFWWJZLASA-N 2 2 295.427 0.698 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000567818375 358591083 /nfs/dbraw/zinc/59/10/83/358591083.db2.gz YSNHTZWQEDYZKM-OCCSQVGLSA-N 2 2 262.357 0.731 20 0 CCADLP COc1cccc(CCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1 ZINC000568760433 358702777 /nfs/dbraw/zinc/70/27/77/358702777.db2.gz IWDSTBQLUPAMBQ-AWEZNQCLSA-N 2 2 291.395 0.729 20 0 CCADLP COc1cccc(CCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c1 ZINC000568760433 358702784 /nfs/dbraw/zinc/70/27/84/358702784.db2.gz IWDSTBQLUPAMBQ-AWEZNQCLSA-N 2 2 291.395 0.729 20 0 CCADLP CN(CCC[NH3+])C(=O)N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000568288084 358662133 /nfs/dbraw/zinc/66/21/33/358662133.db2.gz UOMGUQMWHYGUSZ-NSHDSACASA-N 2 2 265.361 0.861 20 0 CCADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000568368807 358666649 /nfs/dbraw/zinc/66/66/49/358666649.db2.gz DWQCJISJRVJNNQ-ZDUSSCGKSA-N 2 2 259.357 0.556 20 0 CCADLP Cn1cc[nH+]c1CN1C(=O)N[C@]2(CCCC[C@H]2C[NH3+])C1=O ZINC000568387034 358669842 /nfs/dbraw/zinc/66/98/42/358669842.db2.gz KPQVYDCYHXZMLJ-HZMBPMFUSA-N 2 2 291.355 0.360 20 0 CCADLP [NH3+][C@H](C(=O)NC1[C@@H]2CC[C@H]1CC([NH3+])C2)c1cscn1 ZINC000569220675 358744021 /nfs/dbraw/zinc/74/40/21/358744021.db2.gz BHGDMXBTIKIHFI-JTGUOTSQSA-N 2 2 280.397 0.775 20 0 CCADLP Cc1cccc(C)c1OCC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000569241380 358747789 /nfs/dbraw/zinc/74/77/89/358747789.db2.gz XWGMYMZCLCRWQN-CQSZACIVSA-N 2 2 291.395 0.784 20 0 CCADLP Cc1cccc(C)c1OCC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000569241380 358747792 /nfs/dbraw/zinc/74/77/92/358747792.db2.gz XWGMYMZCLCRWQN-CQSZACIVSA-N 2 2 291.395 0.784 20 0 CCADLP C[C@H]1CN(c2cc(N3CCSCC3)[nH+]cn2)C[C@H]1[NH3+] ZINC000569336487 358754141 /nfs/dbraw/zinc/75/41/41/358754141.db2.gz VBQQCSJOSFPKTQ-WDEREUQCSA-N 2 2 279.413 0.813 20 0 CCADLP C[NH2+]CCC[N@H+](C)[C@@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000568889053 358716264 /nfs/dbraw/zinc/71/62/64/358716264.db2.gz MOXDUPMURJWNRN-LBPRGKRZSA-N 2 2 281.404 0.905 20 0 CCADLP C[NH2+]CCC[N@@H+](C)[C@@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000568889053 358716268 /nfs/dbraw/zinc/71/62/68/358716268.db2.gz MOXDUPMURJWNRN-LBPRGKRZSA-N 2 2 281.404 0.905 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2C2CC2)[C@H](C[NH3+])C1 ZINC000570029885 358814892 /nfs/dbraw/zinc/81/48/92/358814892.db2.gz RPSPVPSGLUXMRV-GRYCIOLGSA-N 2 2 252.362 0.069 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2C[C@H]2C2CC2)[C@H](C[NH3+])C1 ZINC000570029885 358814895 /nfs/dbraw/zinc/81/48/95/358814895.db2.gz RPSPVPSGLUXMRV-GRYCIOLGSA-N 2 2 252.362 0.069 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000569576179 358774836 /nfs/dbraw/zinc/77/48/36/358774836.db2.gz FQUDHOUCTSAWAR-STQMWFEESA-N 2 2 284.404 0.006 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000569576179 358774837 /nfs/dbraw/zinc/77/48/37/358774837.db2.gz FQUDHOUCTSAWAR-STQMWFEESA-N 2 2 284.404 0.006 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000569707758 358786638 /nfs/dbraw/zinc/78/66/38/358786638.db2.gz LBBGNMCEZLFIOY-KGLIPLIRSA-N 2 2 295.427 0.650 20 0 CCADLP CS[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH+]1CCCC1 ZINC000571135357 358914286 /nfs/dbraw/zinc/91/42/86/358914286.db2.gz SGXALQVBWJAIMA-OLZOCXBDSA-N 2 2 294.424 0.921 20 0 CCADLP CCOCC[N@@H+]1CCN(C(=O)[C@@H](C)[NH+]2CC(C)C2)C[C@H]1C ZINC000570582273 358872825 /nfs/dbraw/zinc/87/28/25/358872825.db2.gz RGSWAHOSCZZDAI-HUUCEWRRSA-N 2 2 297.443 0.896 20 0 CCADLP CCOCC[N@H+]1CCN(C(=O)[C@@H](C)[NH+]2CC(C)C2)C[C@H]1C ZINC000570582273 358872826 /nfs/dbraw/zinc/87/28/26/358872826.db2.gz RGSWAHOSCZZDAI-HUUCEWRRSA-N 2 2 297.443 0.896 20 0 CCADLP Cc1nc(N(C)C)nc(NCC[C@@H]2CCC[NH2+]C2)[nH+]1 ZINC000570667747 358881730 /nfs/dbraw/zinc/88/17/30/358881730.db2.gz GYQAMLQJMQQPNB-NSHDSACASA-N 2 2 264.377 0.470 20 0 CCADLP Cc1nc(NCC[C@@H]2CCC[NH2+]C2)nc(N(C)C)[nH+]1 ZINC000570667747 358881733 /nfs/dbraw/zinc/88/17/33/358881733.db2.gz GYQAMLQJMQQPNB-NSHDSACASA-N 2 2 264.377 0.470 20 0 CCADLP CC[N@H+](CCO)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000570984596 358901649 /nfs/dbraw/zinc/90/16/49/358901649.db2.gz WNKOPIFUPSLRJJ-LLVKDONJSA-N 2 2 268.361 0.019 20 0 CCADLP CC[N@@H+](CCO)CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC000570984596 358901652 /nfs/dbraw/zinc/90/16/52/358901652.db2.gz WNKOPIFUPSLRJJ-LLVKDONJSA-N 2 2 268.361 0.019 20 0 CCADLP CC[N@H+](CCO)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000570984596 358901655 /nfs/dbraw/zinc/90/16/55/358901655.db2.gz WNKOPIFUPSLRJJ-LLVKDONJSA-N 2 2 268.361 0.019 20 0 CCADLP CC[N@@H+](CCO)CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC000570984596 358901656 /nfs/dbraw/zinc/90/16/56/358901656.db2.gz WNKOPIFUPSLRJJ-LLVKDONJSA-N 2 2 268.361 0.019 20 0 CCADLP CO[C@H]1CC[N@H+](CCCc2nc(C)no2)[C@@H](C[NH3+])C1 ZINC000573370820 358960817 /nfs/dbraw/zinc/96/08/17/358960817.db2.gz MVEPEWVJYBFVTH-NEPJUHHUSA-N 2 2 268.361 0.749 20 0 CCADLP CO[C@H]1CC[N@@H+](CCCc2nc(C)no2)[C@@H](C[NH3+])C1 ZINC000573370820 358960819 /nfs/dbraw/zinc/96/08/19/358960819.db2.gz MVEPEWVJYBFVTH-NEPJUHHUSA-N 2 2 268.361 0.749 20 0 CCADLP C[C@@H]1CSC[C@H]1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000573190367 358945794 /nfs/dbraw/zinc/94/57/94/358945794.db2.gz RPKAQRJLULRGNX-GMTAPVOTSA-N 2 2 272.418 0.022 20 0 CCADLP C[C@@H]1CSC[C@H]1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000573190367 358945796 /nfs/dbraw/zinc/94/57/96/358945796.db2.gz RPKAQRJLULRGNX-GMTAPVOTSA-N 2 2 272.418 0.022 20 0 CCADLP C[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000573199975 358946676 /nfs/dbraw/zinc/94/66/76/358946676.db2.gz QQCWJNKINSASDI-WODVXLOZSA-N 2 2 269.389 0.040 20 0 CCADLP C[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000573199975 358946679 /nfs/dbraw/zinc/94/66/79/358946679.db2.gz QQCWJNKINSASDI-WODVXLOZSA-N 2 2 269.389 0.040 20 0 CCADLP COCC[NH2+]C1CC[NH+](CCN2CCCC2=O)CC1 ZINC000574092248 359028711 /nfs/dbraw/zinc/02/87/11/359028711.db2.gz OCXYKZKTYDLCLY-UHFFFAOYSA-N 2 2 269.389 0.309 20 0 CCADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)C(=O)Nc1ncccn1 ZINC000574143782 359031865 /nfs/dbraw/zinc/03/18/65/359031865.db2.gz SBJXDZCURSWNJB-WISYIIOYSA-N 2 2 277.372 0.780 20 0 CCADLP Cn1nnc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000574159246 359033664 /nfs/dbraw/zinc/03/36/64/359033664.db2.gz FXHRCOJRKVTEIB-GHMZBOCLSA-N 2 2 250.350 0.032 20 0 CCADLP Cn1nnc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000574159246 359033672 /nfs/dbraw/zinc/03/36/72/359033672.db2.gz FXHRCOJRKVTEIB-GHMZBOCLSA-N 2 2 250.350 0.032 20 0 CCADLP CC(=O)[C@](C)(O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000573859800 359005932 /nfs/dbraw/zinc/00/59/32/359005932.db2.gz CQQKVMWSFUJTAL-DGCLKSJQSA-N 2 2 251.330 0.549 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@H](CO)C2CC2)C[C@H](C)O1 ZINC000573967357 359016730 /nfs/dbraw/zinc/01/67/30/359016730.db2.gz VGEFQLHJSHOQDE-AYRXBEOTSA-N 2 2 286.416 0.065 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@H](CO)C2CC2)C[C@H](C)O1 ZINC000573967357 359016735 /nfs/dbraw/zinc/01/67/35/359016735.db2.gz VGEFQLHJSHOQDE-AYRXBEOTSA-N 2 2 286.416 0.065 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](CC(N)=O)c1ccccc1 ZINC000579974314 359072123 /nfs/dbraw/zinc/07/21/23/359072123.db2.gz BWTOSIOFUIRLNF-CABCVRRESA-N 2 2 293.411 0.848 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](CC(N)=O)c1ccccc1 ZINC000579974314 359072126 /nfs/dbraw/zinc/07/21/26/359072126.db2.gz BWTOSIOFUIRLNF-CABCVRRESA-N 2 2 293.411 0.848 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](CC(N)=O)c1ccccc1 ZINC000579974314 359072131 /nfs/dbraw/zinc/07/21/31/359072131.db2.gz BWTOSIOFUIRLNF-CABCVRRESA-N 2 2 293.411 0.848 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](CC(N)=O)c1ccccc1 ZINC000579974314 359072136 /nfs/dbraw/zinc/07/21/36/359072136.db2.gz BWTOSIOFUIRLNF-CABCVRRESA-N 2 2 293.411 0.848 20 0 CCADLP C[C@H](CC(=O)N1CC[N@H+](CCO)[C@H](C)C1)n1cc[nH+]c1 ZINC000580954855 359114443 /nfs/dbraw/zinc/11/44/43/359114443.db2.gz FBQSVXCFOCUYGD-CHWSQXEVSA-N 2 2 280.372 0.359 20 0 CCADLP C[C@H](CC(=O)N1CC[N@@H+](CCO)[C@H](C)C1)n1cc[nH+]c1 ZINC000580954855 359114448 /nfs/dbraw/zinc/11/44/48/359114448.db2.gz FBQSVXCFOCUYGD-CHWSQXEVSA-N 2 2 280.372 0.359 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@H]2CCC[C@H](C(N)=O)C2)n1C ZINC000579854054 359057382 /nfs/dbraw/zinc/05/73/82/359057382.db2.gz LPHXQMIOABWOTM-QWRGUYRKSA-N 2 2 250.346 0.862 20 0 CCADLP Cc1ccc(CCNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cn1 ZINC000584709026 359193400 /nfs/dbraw/zinc/19/34/00/359193400.db2.gz MQIKTKVLAKLRQR-AWEZNQCLSA-N 2 2 291.399 0.217 20 0 CCADLP C[N@@H+]1CCN(Cc2cn(C(C)(C)C)nn2)[C@H](C[NH3+])C1 ZINC000584053522 359163963 /nfs/dbraw/zinc/16/39/63/359163963.db2.gz OOPJICDAWHJTBH-GFCCVEGCSA-N 2 2 266.393 0.108 20 0 CCADLP C[N@H+]1CCN(Cc2cn(C(C)(C)C)nn2)[C@H](C[NH3+])C1 ZINC000584053522 359163968 /nfs/dbraw/zinc/16/39/68/359163968.db2.gz OOPJICDAWHJTBH-GFCCVEGCSA-N 2 2 266.393 0.108 20 0 CCADLP C[NH+]1CCN([C@@H](c2nc(C[NH3+])no2)c2ccccc2)CC1 ZINC000584590113 359176356 /nfs/dbraw/zinc/17/63/56/359176356.db2.gz LRWMYVYEZIQFKK-CQSZACIVSA-N 2 2 287.367 0.865 20 0 CCADLP O=C(CC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)N1CCCCC1 ZINC000562958925 291175267 /nfs/dbraw/zinc/17/52/67/291175267.db2.gz XQNQJDDNRILSBQ-GDBMZVCRSA-N 2 2 295.427 0.746 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000562981508 291177749 /nfs/dbraw/zinc/17/77/49/291177749.db2.gz OXVALVRDKVREPL-NSHDSACASA-N 2 2 266.345 0.152 20 0 CCADLP CN(Cc1cn2c([nH+]1)CCCC2)C(=O)C[C@H]1COCC[NH2+]1 ZINC000562981381 291177965 /nfs/dbraw/zinc/17/79/65/291177965.db2.gz HWCMFSXOFXJQCA-LBPRGKRZSA-N 2 2 292.383 0.556 20 0 CCADLP C[N@H+](CCNC(=O)CCCn1cc[nH+]c1)C1CC1 ZINC000591159269 359563233 /nfs/dbraw/zinc/56/32/33/359563233.db2.gz GMPPPWXAXYMHCX-UHFFFAOYSA-N 2 2 250.346 0.874 20 0 CCADLP C[N@@H+](CCNC(=O)CCCn1cc[nH+]c1)C1CC1 ZINC000591159269 359563239 /nfs/dbraw/zinc/56/32/39/359563239.db2.gz GMPPPWXAXYMHCX-UHFFFAOYSA-N 2 2 250.346 0.874 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000591450949 359594963 /nfs/dbraw/zinc/59/49/63/359594963.db2.gz SNWNRYLBRVKMGY-GFCCVEGCSA-N 2 2 262.357 0.998 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)N2CCC(n3cc[nH+]c3)CC2)C1 ZINC000591450949 359594968 /nfs/dbraw/zinc/59/49/68/359594968.db2.gz SNWNRYLBRVKMGY-GFCCVEGCSA-N 2 2 262.357 0.998 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000591458138 359595670 /nfs/dbraw/zinc/59/56/70/359595670.db2.gz YJZLYCGJOUVCED-QWHCGFSZSA-N 2 2 262.357 0.998 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000591458138 359595674 /nfs/dbraw/zinc/59/56/74/359595674.db2.gz YJZLYCGJOUVCED-QWHCGFSZSA-N 2 2 262.357 0.998 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492903255 237339921 /nfs/dbraw/zinc/33/99/21/237339921.db2.gz SWAJVXRMSJVFGV-IHVVCDCBSA-N 2 2 278.356 0.650 20 0 CCADLP COCC[N@H+]1CCC[C@H]1CNC(=O)C=Cc1c[nH]c[nH+]1 ZINC000492903255 237339926 /nfs/dbraw/zinc/33/99/26/237339926.db2.gz SWAJVXRMSJVFGV-IHVVCDCBSA-N 2 2 278.356 0.650 20 0 CCADLP CC[NH+](CC)CCC[N@@H+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000592202373 359791771 /nfs/dbraw/zinc/79/17/71/359791771.db2.gz FIVSJOUURQDFTG-STQMWFEESA-N 2 2 272.389 0.574 20 0 CCADLP CC[NH+](CC)CCC[N@H+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000592202373 359791772 /nfs/dbraw/zinc/79/17/72/359791772.db2.gz FIVSJOUURQDFTG-STQMWFEESA-N 2 2 272.389 0.574 20 0 CCADLP COC(=O)c1cn([C@@H]2CCC[N@H+](C[C@@H](C)[NH3+])C2)nn1 ZINC000563153712 291200146 /nfs/dbraw/zinc/20/01/46/291200146.db2.gz FARNZOXSKXJILE-NXEZZACHSA-N 2 2 267.333 0.049 20 0 CCADLP COC(=O)c1cn([C@@H]2CCC[N@@H+](C[C@@H](C)[NH3+])C2)nn1 ZINC000563153712 291200148 /nfs/dbraw/zinc/20/01/48/291200148.db2.gz FARNZOXSKXJILE-NXEZZACHSA-N 2 2 267.333 0.049 20 0 CCADLP C[C@@H]1C[NH+](CCSC[C@H]2C[N@H+](C)CCO2)CCO1 ZINC000592359031 359824626 /nfs/dbraw/zinc/82/46/26/359824626.db2.gz OOWXBIGNAGRSAS-CHWSQXEVSA-N 2 2 274.430 0.771 20 0 CCADLP C[C@@H]1C[NH+](CCSC[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC000592359031 359824631 /nfs/dbraw/zinc/82/46/31/359824631.db2.gz OOWXBIGNAGRSAS-CHWSQXEVSA-N 2 2 274.430 0.771 20 0 CCADLP CCOC(=O)C[N@@H+]1CCCN(C(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000592260744 359806821 /nfs/dbraw/zinc/80/68/21/359806821.db2.gz KQIRIRDXFWSOFV-CYBMUJFWSA-N 2 2 297.399 0.083 20 0 CCADLP CCOC(=O)C[N@H+]1CCCN(C(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000592260744 359806824 /nfs/dbraw/zinc/80/68/24/359806824.db2.gz KQIRIRDXFWSOFV-CYBMUJFWSA-N 2 2 297.399 0.083 20 0 CCADLP C[C@@H]1C[N@H+](CCSC[C@H]2C[NH+](C)CCO2)CCO1 ZINC000592359031 359824618 /nfs/dbraw/zinc/82/46/18/359824618.db2.gz OOWXBIGNAGRSAS-CHWSQXEVSA-N 2 2 274.430 0.771 20 0 CCADLP C[C@@H]1C[N@@H+](CCSC[C@H]2C[NH+](C)CCO2)CCO1 ZINC000592359031 359824622 /nfs/dbraw/zinc/82/46/22/359824622.db2.gz OOWXBIGNAGRSAS-CHWSQXEVSA-N 2 2 274.430 0.771 20 0 CCADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000592314539 359816876 /nfs/dbraw/zinc/81/68/76/359816876.db2.gz BXGIUDWMVWQNDJ-CYBMUJFWSA-N 2 2 291.399 0.016 20 0 CCADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000592314539 359816877 /nfs/dbraw/zinc/81/68/77/359816877.db2.gz BXGIUDWMVWQNDJ-CYBMUJFWSA-N 2 2 291.399 0.016 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471145 359848248 /nfs/dbraw/zinc/84/82/48/359848248.db2.gz ATRDBTKFJNXYHN-UHFFFAOYSA-N 2 2 296.415 0.827 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471145 359848251 /nfs/dbraw/zinc/84/82/51/359848251.db2.gz ATRDBTKFJNXYHN-UHFFFAOYSA-N 2 2 296.415 0.827 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)C1 ZINC000563198384 291204488 /nfs/dbraw/zinc/20/44/88/291204488.db2.gz VJHPKCDSUNJHKB-FRRDWIJNSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC[N@H+]2CCO[C@@H](C)C2)C1 ZINC000563198384 291204489 /nfs/dbraw/zinc/20/44/89/291204489.db2.gz VJHPKCDSUNJHKB-FRRDWIJNSA-N 2 2 269.389 0.211 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CCC[NH2+]C)C2)CC1 ZINC000592493641 359859391 /nfs/dbraw/zinc/85/93/91/359859391.db2.gz YQSICLBTKYLUCA-CQSZACIVSA-N 3 2 254.422 0.308 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCC[NH2+]C)C2)CC1 ZINC000592493641 359859393 /nfs/dbraw/zinc/85/93/93/359859393.db2.gz YQSICLBTKYLUCA-CQSZACIVSA-N 3 2 254.422 0.308 20 0 CCADLP O=C(N1CC[NH+](Cc2ccccn2)CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000563211341 291206222 /nfs/dbraw/zinc/20/62/22/291206222.db2.gz WPTQRPVUCDSDKZ-CJNGLKHVSA-N 2 2 286.379 0.478 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@H](C)[NH+]2CCN(C)CC2)CC[NH2+]1 ZINC000621152860 366654708 /nfs/dbraw/zinc/65/47/08/366654708.db2.gz GIWOQVYWUSJFKP-UONOGXRCSA-N 2 2 282.432 0.079 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2nccn2C)C1 ZINC000563350090 291215276 /nfs/dbraw/zinc/21/52/76/291215276.db2.gz KUGXVGQRNWGELS-STQMWFEESA-N 2 2 266.389 0.522 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2nccn2C)C1 ZINC000563350090 291215279 /nfs/dbraw/zinc/21/52/79/291215279.db2.gz KUGXVGQRNWGELS-STQMWFEESA-N 2 2 266.389 0.522 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000563350090 291215280 /nfs/dbraw/zinc/21/52/80/291215280.db2.gz KUGXVGQRNWGELS-STQMWFEESA-N 2 2 266.389 0.522 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000563350090 291215282 /nfs/dbraw/zinc/21/52/82/291215282.db2.gz KUGXVGQRNWGELS-STQMWFEESA-N 2 2 266.389 0.522 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000563349227 291215577 /nfs/dbraw/zinc/21/55/77/291215577.db2.gz FNEMXOFJMHDASZ-LJISPDSOSA-N 2 2 286.416 0.567 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000563349227 291215578 /nfs/dbraw/zinc/21/55/78/291215578.db2.gz FNEMXOFJMHDASZ-LJISPDSOSA-N 2 2 286.416 0.567 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000563349227 291215581 /nfs/dbraw/zinc/21/55/81/291215581.db2.gz FNEMXOFJMHDASZ-LJISPDSOSA-N 2 2 286.416 0.567 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000563349227 291215583 /nfs/dbraw/zinc/21/55/83/291215583.db2.gz FNEMXOFJMHDASZ-LJISPDSOSA-N 2 2 286.416 0.567 20 0 CCADLP COC(=O)[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1cccs1 ZINC000593902393 360201004 /nfs/dbraw/zinc/20/10/04/360201004.db2.gz SGMFREKUUUTEIY-KOLCDFICSA-N 2 2 299.396 0.357 20 0 CCADLP COC(=O)[C@]1([NH2+]CCCc2c[nH+]cn2C)CCOC1 ZINC000593968924 360225060 /nfs/dbraw/zinc/22/50/60/360225060.db2.gz OBWLJLYHVIBDST-ZDUSSCGKSA-N 2 2 267.329 0.274 20 0 CCADLP CC[NH+]1CCC([NH2+][C@H]2CCN(CCC(=O)OC)C2=O)CC1 ZINC000594731805 360369352 /nfs/dbraw/zinc/36/93/52/360369352.db2.gz UJZZIBQYXWUIBU-ZDUSSCGKSA-N 2 2 297.399 0.224 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@H+](C/C=C/c3ccccc3)CCN2C1=O ZINC000594736435 360370112 /nfs/dbraw/zinc/37/01/12/360370112.db2.gz IGQMTKVMCHHNSY-SJPZSHDVSA-N 2 2 271.364 0.944 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](C/C=C/c3ccccc3)CCN2C1=O ZINC000594736435 360370115 /nfs/dbraw/zinc/37/01/15/360370115.db2.gz IGQMTKVMCHHNSY-SJPZSHDVSA-N 2 2 271.364 0.944 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000594988389 360430618 /nfs/dbraw/zinc/43/06/18/360430618.db2.gz FUIBOTBKJLABJY-ZIAGYGMSSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000594988389 360430626 /nfs/dbraw/zinc/43/06/26/360430626.db2.gz FUIBOTBKJLABJY-ZIAGYGMSSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000594988389 360430634 /nfs/dbraw/zinc/43/06/34/360430634.db2.gz FUIBOTBKJLABJY-ZIAGYGMSSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000594988389 360430638 /nfs/dbraw/zinc/43/06/38/360430638.db2.gz FUIBOTBKJLABJY-ZIAGYGMSSA-N 2 2 298.431 0.348 20 0 CCADLP COc1c(N)[nH+]cnc1NC[C@H](C1CC1)[NH+](C)C ZINC000563418985 291227149 /nfs/dbraw/zinc/22/71/49/291227149.db2.gz WINNKLOBWWVXPK-SECBINFHSA-N 2 2 251.334 0.241 20 0 CCADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)NC(=O)NC1CC1)C2 ZINC000595508899 360556907 /nfs/dbraw/zinc/55/69/07/360556907.db2.gz ZQXOAZPUGBRYPW-HNNXBMFYSA-N 2 2 294.399 0.392 20 0 CCADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)NC(=O)NC1CC1)C2 ZINC000595508899 360556908 /nfs/dbraw/zinc/55/69/08/360556908.db2.gz ZQXOAZPUGBRYPW-HNNXBMFYSA-N 2 2 294.399 0.392 20 0 CCADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC(=O)NC(=O)NC1CC1)C2 ZINC000595508899 360556909 /nfs/dbraw/zinc/55/69/09/360556909.db2.gz ZQXOAZPUGBRYPW-HNNXBMFYSA-N 2 2 294.399 0.392 20 0 CCADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC(=O)NC(=O)NC1CC1)C2 ZINC000595508899 360556910 /nfs/dbraw/zinc/55/69/10/360556910.db2.gz ZQXOAZPUGBRYPW-HNNXBMFYSA-N 2 2 294.399 0.392 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000563449418 291231098 /nfs/dbraw/zinc/23/10/98/291231098.db2.gz XGIGPWIOBRSZCB-QMMMGPOBSA-N 2 2 279.266 0.831 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000563449418 291231099 /nfs/dbraw/zinc/23/10/99/291231099.db2.gz XGIGPWIOBRSZCB-QMMMGPOBSA-N 2 2 279.266 0.831 20 0 CCADLP C[C@@H](NC(=O)N(C)Cc1c[nH+]c[nH]1)[C@@H]1CCC[NH2+]C1 ZINC000563451793 291231578 /nfs/dbraw/zinc/23/15/78/291231578.db2.gz OUTHAFXEHVSWGL-GHMZBOCLSA-N 2 2 265.361 0.939 20 0 CCADLP C[C@@H](NC(=O)N(C)Cc1c[nH]c[nH+]1)[C@@H]1CCC[NH2+]C1 ZINC000563451793 291231579 /nfs/dbraw/zinc/23/15/79/291231579.db2.gz OUTHAFXEHVSWGL-GHMZBOCLSA-N 2 2 265.361 0.939 20 0 CCADLP COC(=O)[C@H]1C[C@@H]([N@H+](C)CCc2c[nH+]cn2C)C1 ZINC000595856728 360680967 /nfs/dbraw/zinc/68/09/67/360680967.db2.gz QJZBMGJPHWXILM-KLPPZKSPSA-N 2 2 251.330 0.846 20 0 CCADLP COC(=O)[C@H]1C[C@@H]([N@@H+](C)CCc2c[nH+]cn2C)C1 ZINC000595856728 360680971 /nfs/dbraw/zinc/68/09/71/360680971.db2.gz QJZBMGJPHWXILM-KLPPZKSPSA-N 2 2 251.330 0.846 20 0 CCADLP CCC(CC)(C[NH2+]C[C@H]1C[NH2+]CCO1)C(=O)OC ZINC000595890438 360692217 /nfs/dbraw/zinc/69/22/17/360692217.db2.gz DEAHNMRSLKLTAC-LLVKDONJSA-N 2 2 258.362 0.544 20 0 CCADLP C[C@@H]([NH3+])CN1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000442663638 296020024 /nfs/dbraw/zinc/02/00/24/296020024.db2.gz KDZNITYBYHQVFG-KGLIPLIRSA-N 2 2 282.432 0.352 20 0 CCADLP COC(=O)[C@@H]1CC[N@H+](C[C@@H]2C[NH2+]CCO2)C[C@@H]1C ZINC000595905213 360699977 /nfs/dbraw/zinc/69/99/77/360699977.db2.gz QRHXLMPMWFJRQU-SDDRHHMPSA-N 2 2 256.346 0.106 20 0 CCADLP COC(=O)[C@@H]1CC[N@@H+](C[C@@H]2C[NH2+]CCO2)C[C@@H]1C ZINC000595905213 360699980 /nfs/dbraw/zinc/69/99/80/360699980.db2.gz QRHXLMPMWFJRQU-SDDRHHMPSA-N 2 2 256.346 0.106 20 0 CCADLP C[C@@H]([NH3+])C[NH2+][C@@H](CN1CCOCC1)c1ccccc1 ZINC000420374107 296020499 /nfs/dbraw/zinc/02/04/99/296020499.db2.gz NFWNQYKGVUUUBP-HIFRSBDPSA-N 2 2 263.385 0.997 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1 ZINC000655932511 412707266 /nfs/dbraw/zinc/70/72/66/412707266.db2.gz WWGHNDKQTXNTSX-QMMMGPOBSA-N 2 2 279.266 0.151 20 0 CCADLP Cc1ncc(C[NH+]2CCN(C(=O)C[NH3+])CC2)s1 ZINC000178883849 189152642 /nfs/dbraw/zinc/15/26/42/189152642.db2.gz MOKAWIPYADQLGE-UHFFFAOYSA-N 2 2 254.359 0.054 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCCC2(C)C)[C@H](C[NH3+])C1 ZINC000563588510 291239189 /nfs/dbraw/zinc/23/91/89/291239189.db2.gz ASTDIIRXFBSYBY-VXGBXAGGSA-N 2 2 268.405 0.849 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCCC2(C)C)[C@H](C[NH3+])C1 ZINC000563588510 291239192 /nfs/dbraw/zinc/23/91/92/291239192.db2.gz ASTDIIRXFBSYBY-VXGBXAGGSA-N 2 2 268.405 0.849 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000563636101 291244288 /nfs/dbraw/zinc/24/42/88/291244288.db2.gz KRWREQFWDODEMC-MNOVXSKESA-N 2 2 250.346 0.751 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000563636101 291244290 /nfs/dbraw/zinc/24/42/90/291244290.db2.gz KRWREQFWDODEMC-MNOVXSKESA-N 2 2 250.346 0.751 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000563636101 291244293 /nfs/dbraw/zinc/24/42/93/291244293.db2.gz KRWREQFWDODEMC-MNOVXSKESA-N 2 2 250.346 0.751 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000563636101 291244295 /nfs/dbraw/zinc/24/42/95/291244295.db2.gz KRWREQFWDODEMC-MNOVXSKESA-N 2 2 250.346 0.751 20 0 CCADLP OC1(C[NH2+]Cc2cccc3[nH+]ccn32)CCOCC1 ZINC000179423226 189193151 /nfs/dbraw/zinc/19/31/51/189193151.db2.gz KDJUCSCVXQFUGU-UHFFFAOYSA-N 2 2 261.325 0.965 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cccc2nccn21 ZINC000179430839 189194218 /nfs/dbraw/zinc/19/42/18/189194218.db2.gz QZLWXKDMVMOLJL-AWEZNQCLSA-N 2 2 262.357 0.737 20 0 CCADLP C[C@@H](CC(=O)N1CCCO[C@@H](C[NH3+])C1)n1cc[nH+]c1 ZINC000563632283 291243560 /nfs/dbraw/zinc/24/35/60/291243560.db2.gz ZGKLFVUBIDKYBD-RYUDHWBXSA-N 2 2 266.345 0.410 20 0 CCADLP Cc1ccc(/C=C\C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])o1 ZINC000493737662 238344354 /nfs/dbraw/zinc/34/43/54/238344354.db2.gz HMISPRJURSVWCX-FJOGCWAESA-N 2 2 263.341 0.703 20 0 CCADLP Cc1ccc(/C=C\C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])o1 ZINC000493737662 238344360 /nfs/dbraw/zinc/34/43/60/238344360.db2.gz HMISPRJURSVWCX-FJOGCWAESA-N 2 2 263.341 0.703 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccc(C(=O)NC)cc1 ZINC000563853794 291254393 /nfs/dbraw/zinc/25/43/93/291254393.db2.gz GNMAEBCKNIRXMY-HNNXBMFYSA-N 2 2 293.411 0.791 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccc(C(=O)NC)cc1 ZINC000563853794 291254395 /nfs/dbraw/zinc/25/43/95/291254395.db2.gz GNMAEBCKNIRXMY-HNNXBMFYSA-N 2 2 293.411 0.791 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccc(C(=O)NC)cc1 ZINC000563853794 291254397 /nfs/dbraw/zinc/25/43/97/291254397.db2.gz GNMAEBCKNIRXMY-HNNXBMFYSA-N 2 2 293.411 0.791 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccc(C(=O)NC)cc1 ZINC000563853794 291254398 /nfs/dbraw/zinc/25/43/98/291254398.db2.gz GNMAEBCKNIRXMY-HNNXBMFYSA-N 2 2 293.411 0.791 20 0 CCADLP CNS(=O)(=O)CC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000621271850 366696148 /nfs/dbraw/zinc/69/61/48/366696148.db2.gz VSVFQFKUNZDDGN-UHFFFAOYSA-N 2 2 298.412 0.507 20 0 CCADLP CCCn1nccc1NC(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000631826058 370693217 /nfs/dbraw/zinc/69/32/17/370693217.db2.gz DCLDCJUEYNVTOE-UHFFFAOYSA-N 2 2 265.361 0.653 20 0 CCADLP CCCn1nccc1NC(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000631826058 370693222 /nfs/dbraw/zinc/69/32/22/370693222.db2.gz DCLDCJUEYNVTOE-UHFFFAOYSA-N 2 2 265.361 0.653 20 0 CCADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1nc(CC2CC2)no1 ZINC000631822204 370686848 /nfs/dbraw/zinc/68/68/48/370686848.db2.gz WMFNKWQIJFXXRN-UHFFFAOYSA-N 2 2 279.388 0.359 20 0 CCADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1nc(CC2CC2)no1 ZINC000631822204 370686857 /nfs/dbraw/zinc/68/68/57/370686857.db2.gz WMFNKWQIJFXXRN-UHFFFAOYSA-N 2 2 279.388 0.359 20 0 CCADLP COC(=O)[C@@H](O)C1CC[NH+](C[C@H]([NH3+])CC(C)C)CC1 ZINC000414698431 291268122 /nfs/dbraw/zinc/26/81/22/291268122.db2.gz DHLZYLDTAUIVTR-OLZOCXBDSA-N 2 2 272.389 0.606 20 0 CCADLP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@@H](C)[NH+]1CCOCC1 ZINC000366180032 296040847 /nfs/dbraw/zinc/04/08/47/296040847.db2.gz IODNGGZFAHURAA-ZIAGYGMSSA-N 2 2 295.427 0.840 20 0 CCADLP CC[NH+]1C[C@H](C)N(C(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](C)C1 ZINC000564352765 291277237 /nfs/dbraw/zinc/27/72/37/291277237.db2.gz VCBVCROCNIASKW-RWMBFGLXSA-N 2 2 269.389 0.258 20 0 CCADLP CC[NH+]1C[C@H](C)N(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](C)C1 ZINC000564352765 291277238 /nfs/dbraw/zinc/27/72/38/291277238.db2.gz VCBVCROCNIASKW-RWMBFGLXSA-N 2 2 269.389 0.258 20 0 CCADLP CC[C@@H](Cn1cncn1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000564438897 291279597 /nfs/dbraw/zinc/27/95/97/291279597.db2.gz MLUUUPPUZIANBH-NWDGAFQWSA-N 2 2 260.345 0.858 20 0 CCADLP CC(C)(C)[NH2+]CCNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000564449193 291279745 /nfs/dbraw/zinc/27/97/45/291279745.db2.gz ANSYRRRNLOHVMX-VIFPVBQESA-N 2 2 256.375 0.647 20 0 CCADLP CC(C)[C@H](CNc1cc[nH+]cc1C(N)=O)[NH+]1CCOCC1 ZINC000302018912 201300259 /nfs/dbraw/zinc/30/02/59/201300259.db2.gz GWIKGISKAKOBTI-AWEZNQCLSA-N 2 2 292.383 0.949 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000599389069 361681218 /nfs/dbraw/zinc/68/12/18/361681218.db2.gz BGFAIMFIYPYXCS-HUUCEWRRSA-N 2 2 295.427 0.794 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000599389069 361681220 /nfs/dbraw/zinc/68/12/20/361681220.db2.gz BGFAIMFIYPYXCS-HUUCEWRRSA-N 2 2 295.427 0.794 20 0 CCADLP CC1(C)CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC[NH2+]1 ZINC000611893242 363802377 /nfs/dbraw/zinc/80/23/77/363802377.db2.gz WMHZQWYFHCVDHZ-NSHDSACASA-N 2 2 262.357 0.656 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNc2cc[nH+]cc2C(N)=O)CC1 ZINC000302134175 201357639 /nfs/dbraw/zinc/35/76/39/201357639.db2.gz CUTXIUPIRGZPAJ-UHFFFAOYSA-N 3 2 291.399 0.618 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CC2(C)CC2)C[C@@H](C)O1 ZINC000564650561 291290797 /nfs/dbraw/zinc/29/07/97/291290797.db2.gz BMKMTEJUJXVLOJ-UPJWGTAASA-N 2 2 256.390 0.846 20 0 CCADLP CO[C@H]1CC[C@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000611977341 363820734 /nfs/dbraw/zinc/82/07/34/363820734.db2.gz JGDVPSCGYZRWHE-ZFWWWQNUSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@]1(NC(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC[NH2+]C1 ZINC000612876519 364030893 /nfs/dbraw/zinc/03/08/93/364030893.db2.gz PZXIQUSICIGGJX-CQSZACIVSA-N 2 2 284.404 0.148 20 0 CCADLP C[C@@]1(NC(=O)NCC[N@H+]2CCOC(C)(C)C2)CC[NH2+]C1 ZINC000612876519 364030897 /nfs/dbraw/zinc/03/08/97/364030897.db2.gz PZXIQUSICIGGJX-CQSZACIVSA-N 2 2 284.404 0.148 20 0 CCADLP CCCn1nccc1NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839146 370704779 /nfs/dbraw/zinc/70/47/79/370704779.db2.gz AVOAHKSAQNEWHW-VXGBXAGGSA-N 2 2 279.388 0.758 20 0 CCADLP CCCn1nccc1NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839146 370704782 /nfs/dbraw/zinc/70/47/82/370704782.db2.gz AVOAHKSAQNEWHW-VXGBXAGGSA-N 2 2 279.388 0.758 20 0 CCADLP CS(=O)(=O)CC1(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)CC1 ZINC000631890925 370739974 /nfs/dbraw/zinc/73/99/74/370739974.db2.gz UVTCUHCAQFRSRG-STQMWFEESA-N 2 2 286.441 0.885 20 0 CCADLP CS(=O)(=O)CC1(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)CC1 ZINC000631890925 370739980 /nfs/dbraw/zinc/73/99/80/370739980.db2.gz UVTCUHCAQFRSRG-STQMWFEESA-N 2 2 286.441 0.885 20 0 CCADLP Cc1nc(N2CCN(C(=O)C3([NH+](C)C)CC3)CC2)cc[nH+]1 ZINC000613500063 364272775 /nfs/dbraw/zinc/27/27/75/364272775.db2.gz MCELITYAGPOUCD-UHFFFAOYSA-N 2 2 289.383 0.528 20 0 CCADLP CN(C)[C@@H](C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C)c1c[nH+]cn1C ZINC000613665466 364331909 /nfs/dbraw/zinc/33/19/09/364331909.db2.gz MIICMVLWMQTAEZ-YRGRVCCFSA-N 2 2 293.415 0.622 20 0 CCADLP CC1=CCN(CC[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000564870440 291309134 /nfs/dbraw/zinc/30/91/34/291309134.db2.gz AORQRPRSEIRJCS-OAHLLOKOSA-N 2 2 267.417 0.683 20 0 CCADLP CC1=CCN(CC[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000564870440 291309135 /nfs/dbraw/zinc/30/91/35/291309135.db2.gz AORQRPRSEIRJCS-OAHLLOKOSA-N 2 2 267.417 0.683 20 0 CCADLP CC1=CC[N@H+](CCNC(=O)C2([NH+](C)C)CC2)CC1 ZINC000613524242 364284856 /nfs/dbraw/zinc/28/48/56/364284856.db2.gz WMVWTJXIMBTLTB-UHFFFAOYSA-N 2 2 251.374 0.849 20 0 CCADLP CC1=CC[N@@H+](CCNC(=O)C2([NH+](C)C)CC2)CC1 ZINC000613524242 364284864 /nfs/dbraw/zinc/28/48/64/364284864.db2.gz WMVWTJXIMBTLTB-UHFFFAOYSA-N 2 2 251.374 0.849 20 0 CCADLP C[C@H]1CN(C(=O)C2([NH+](C)C)CC2)CC[N@H+]1CC(C)(C)O ZINC000613790326 364373238 /nfs/dbraw/zinc/37/32/38/364373238.db2.gz MMVOCKQVCIJZKE-LBPRGKRZSA-N 2 2 283.416 0.384 20 0 CCADLP C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4[nH+]c[nH]c4C3)C[C@H]2C1 ZINC000614123363 364509123 /nfs/dbraw/zinc/50/91/23/364509123.db2.gz CRYGOUMOXIGBKL-UTUOFQBUSA-N 2 2 274.368 0.535 20 0 CCADLP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4[nH+]c[nH]c4C3)C[C@H]2C1 ZINC000614123363 364509127 /nfs/dbraw/zinc/50/91/27/364509127.db2.gz CRYGOUMOXIGBKL-UTUOFQBUSA-N 2 2 274.368 0.535 20 0 CCADLP C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4[nH]c[nH+]c4C3)C[C@H]2C1 ZINC000614123363 364509131 /nfs/dbraw/zinc/50/91/31/364509131.db2.gz CRYGOUMOXIGBKL-UTUOFQBUSA-N 2 2 274.368 0.535 20 0 CCADLP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4[nH]c[nH+]c4C3)C[C@H]2C1 ZINC000614123363 364509135 /nfs/dbraw/zinc/50/91/35/364509135.db2.gz CRYGOUMOXIGBKL-UTUOFQBUSA-N 2 2 274.368 0.535 20 0 CCADLP C[NH2+]CCC[NH+]1CCN(c2ccc(F)cc2C(N)=O)CC1 ZINC000621777717 366863545 /nfs/dbraw/zinc/86/35/45/366863545.db2.gz FQVZJVRGOIGKMR-UHFFFAOYSA-N 2 2 294.374 0.656 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621781121 366864859 /nfs/dbraw/zinc/86/48/59/366864859.db2.gz ZIMHCVTUVMLBFX-OUCADQQQSA-N 2 2 269.389 0.341 20 0 CCADLP COCCCNC(=O)[C@H](C)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621781121 366864862 /nfs/dbraw/zinc/86/48/62/366864862.db2.gz ZIMHCVTUVMLBFX-OUCADQQQSA-N 2 2 269.389 0.341 20 0 CCADLP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCn1nc3ccccn3c1=O)C2 ZINC000621780626 366865082 /nfs/dbraw/zinc/86/50/82/366865082.db2.gz TTXVRSZQHWDLQG-SWLSCSKDSA-N 2 2 287.367 0.309 20 0 CCADLP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCn1nc3ccccn3c1=O)C2 ZINC000621780626 366865085 /nfs/dbraw/zinc/86/50/85/366865085.db2.gz TTXVRSZQHWDLQG-SWLSCSKDSA-N 2 2 287.367 0.309 20 0 CCADLP C[NH+]1CCC(CC(=O)NC[C@H]2CN3CC[N@@H+]2CCC3)CC1 ZINC000614501932 364632414 /nfs/dbraw/zinc/63/24/14/364632414.db2.gz IMWJRKXJPBVRHO-HNNXBMFYSA-N 2 2 294.443 0.224 20 0 CCADLP C[NH+]1CCC(CC(=O)NC[C@H]2CN3CC[N@H+]2CCC3)CC1 ZINC000614501932 364632416 /nfs/dbraw/zinc/63/24/16/364632416.db2.gz IMWJRKXJPBVRHO-HNNXBMFYSA-N 2 2 294.443 0.224 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000615185658 364875776 /nfs/dbraw/zinc/87/57/76/364875776.db2.gz WBQRMNMJQDJSRS-SFTQSGBHSA-N 2 2 274.368 0.686 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000615185658 364875779 /nfs/dbraw/zinc/87/57/79/364875779.db2.gz WBQRMNMJQDJSRS-SFTQSGBHSA-N 2 2 274.368 0.686 20 0 CCADLP C[C@@H](C(=O)N1CCC[C@H]([NH+]2CCOCC2)C1)[NH+](C)C ZINC000615549608 365003675 /nfs/dbraw/zinc/00/36/75/365003675.db2.gz XBTOFSZSQABDOG-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000565033753 291338382 /nfs/dbraw/zinc/33/83/82/291338382.db2.gz BBEYAUWUNNXVOB-VXGBXAGGSA-N 2 2 262.357 0.513 20 0 CCADLP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000565033753 291338383 /nfs/dbraw/zinc/33/83/83/291338383.db2.gz BBEYAUWUNNXVOB-VXGBXAGGSA-N 2 2 262.357 0.513 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000565160011 291349421 /nfs/dbraw/zinc/34/94/21/291349421.db2.gz BJHUAQOQLBIIRH-CQSZACIVSA-N 2 2 291.399 0.842 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000565160011 291349424 /nfs/dbraw/zinc/34/94/24/291349424.db2.gz BJHUAQOQLBIIRH-CQSZACIVSA-N 2 2 291.399 0.842 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000565159984 291349480 /nfs/dbraw/zinc/34/94/80/291349480.db2.gz BJHUAQOQLBIIRH-AWEZNQCLSA-N 2 2 291.399 0.842 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000565159984 291349483 /nfs/dbraw/zinc/34/94/83/291349483.db2.gz BJHUAQOQLBIIRH-AWEZNQCLSA-N 2 2 291.399 0.842 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000565167846 291350887 /nfs/dbraw/zinc/35/08/87/291350887.db2.gz ZWWGDOKLZCTXKC-AXFHLTTASA-N 2 2 284.322 0.687 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000565167846 291350889 /nfs/dbraw/zinc/35/08/89/291350889.db2.gz ZWWGDOKLZCTXKC-AXFHLTTASA-N 2 2 284.322 0.687 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000565167846 291350891 /nfs/dbraw/zinc/35/08/91/291350891.db2.gz ZWWGDOKLZCTXKC-AXFHLTTASA-N 2 2 284.322 0.687 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000565167846 291350893 /nfs/dbraw/zinc/35/08/93/291350893.db2.gz ZWWGDOKLZCTXKC-AXFHLTTASA-N 2 2 284.322 0.687 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@H+](C)C1CC1 ZINC000565181489 291353563 /nfs/dbraw/zinc/35/35/63/291353563.db2.gz ONVVFMQUDMHBFG-SNVBAGLBSA-N 2 2 250.346 0.799 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@@H+](C)C1CC1 ZINC000565181489 291353564 /nfs/dbraw/zinc/35/35/64/291353564.db2.gz ONVVFMQUDMHBFG-SNVBAGLBSA-N 2 2 250.346 0.799 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@H+](C)C1CC1 ZINC000565181489 291353566 /nfs/dbraw/zinc/35/35/66/291353566.db2.gz ONVVFMQUDMHBFG-SNVBAGLBSA-N 2 2 250.346 0.799 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@@H+](C)C1CC1 ZINC000565181489 291353567 /nfs/dbraw/zinc/35/35/67/291353567.db2.gz ONVVFMQUDMHBFG-SNVBAGLBSA-N 2 2 250.346 0.799 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000616866879 365465009 /nfs/dbraw/zinc/46/50/09/365465009.db2.gz JYHBJAULKUDAJD-ZDUSSCGKSA-N 2 2 296.415 0.938 20 0 CCADLP Cn1ncc2c1nc(N)[nH+]c2N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000656118940 412744939 /nfs/dbraw/zinc/74/49/39/412744939.db2.gz IXEAOOWQBGFNAT-JTQLQIEISA-N 2 2 298.354 0.984 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)CC[NH2+]C1CC1 ZINC000565218717 291362857 /nfs/dbraw/zinc/36/28/57/291362857.db2.gz ZTEHZCZJJGNYAY-UHFFFAOYSA-N 2 2 262.357 0.906 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000622083333 367014863 /nfs/dbraw/zinc/01/48/63/367014863.db2.gz BSZQWMKJVUEPBH-QWHCGFSZSA-N 2 2 291.399 0.470 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000622083333 367014870 /nfs/dbraw/zinc/01/48/70/367014870.db2.gz BSZQWMKJVUEPBH-QWHCGFSZSA-N 2 2 291.399 0.470 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000622358914 367130479 /nfs/dbraw/zinc/13/04/79/367130479.db2.gz DEANQTSQDBYOEM-UHFFFAOYSA-N 2 2 280.372 0.107 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000622392683 367145586 /nfs/dbraw/zinc/14/55/86/367145586.db2.gz NAHSBGALEJDMSL-AWEZNQCLSA-N 2 2 292.383 0.372 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000622631224 367231591 /nfs/dbraw/zinc/23/15/91/367231591.db2.gz JHKWVXLBTJVSLL-CYBMUJFWSA-N 2 2 280.372 0.236 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000622631224 367231599 /nfs/dbraw/zinc/23/15/99/367231599.db2.gz JHKWVXLBTJVSLL-CYBMUJFWSA-N 2 2 280.372 0.236 20 0 CCADLP [NH3+]C1(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC000623180260 367467973 /nfs/dbraw/zinc/46/79/73/367467973.db2.gz XTQUCBKKCSPCPK-LLVKDONJSA-N 2 2 262.357 0.833 20 0 CCADLP O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000623257733 367494679 /nfs/dbraw/zinc/49/46/79/367494679.db2.gz SLERLAGCBIKTDK-MNOVXSKESA-N 2 2 271.324 0.383 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623305387 367527198 /nfs/dbraw/zinc/52/71/98/367527198.db2.gz RAJIZSYZIXKEJB-NSHDSACASA-N 2 2 250.346 0.656 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000623305387 367527200 /nfs/dbraw/zinc/52/72/00/367527200.db2.gz RAJIZSYZIXKEJB-NSHDSACASA-N 2 2 250.346 0.656 20 0 CCADLP CC[C@@H](C(=O)N[C@H]1CCn2c[nH+]cc2C1)[NH+](C)C ZINC000623307598 367528153 /nfs/dbraw/zinc/52/81/53/367528153.db2.gz KESZKUNLTMRSQC-JQWIXIFHSA-N 2 2 250.346 0.654 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000623390270 367552061 /nfs/dbraw/zinc/55/20/61/367552061.db2.gz FWDUDUKCEIYTDA-CQSZACIVSA-N 2 2 296.415 0.243 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000623390270 367552069 /nfs/dbraw/zinc/55/20/69/367552069.db2.gz FWDUDUKCEIYTDA-CQSZACIVSA-N 2 2 296.415 0.243 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623417717 367560570 /nfs/dbraw/zinc/56/05/70/367560570.db2.gz LVFQOMSTFSCWCI-QWRGUYRKSA-N 2 2 262.419 0.882 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623417717 367560576 /nfs/dbraw/zinc/56/05/76/367560576.db2.gz LVFQOMSTFSCWCI-QWRGUYRKSA-N 2 2 262.419 0.882 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCc2cnc(N)nc2C1 ZINC000623293236 367516317 /nfs/dbraw/zinc/51/63/17/367516317.db2.gz OBDOAFZAJZOTLU-LBPRGKRZSA-N 2 2 261.373 0.732 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCc2cnc(N)nc2C1 ZINC000623293236 367516323 /nfs/dbraw/zinc/51/63/23/367516323.db2.gz OBDOAFZAJZOTLU-LBPRGKRZSA-N 2 2 261.373 0.732 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCc2cnc(N)nc2C1 ZINC000623293236 367516329 /nfs/dbraw/zinc/51/63/29/367516329.db2.gz OBDOAFZAJZOTLU-LBPRGKRZSA-N 2 2 261.373 0.732 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCc2cnc(N)nc2C1 ZINC000623293236 367516332 /nfs/dbraw/zinc/51/63/32/367516332.db2.gz OBDOAFZAJZOTLU-LBPRGKRZSA-N 2 2 261.373 0.732 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCc3cccnc32)CC1 ZINC000684955519 545766468 /nfs/dbraw/zinc/76/64/68/545766468.db2.gz OUYZQJXKUNRWMZ-CQSZACIVSA-N 2 2 288.395 0.823 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000623598147 367601645 /nfs/dbraw/zinc/60/16/45/367601645.db2.gz RIRGZTILPGZCAM-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000623598147 367601647 /nfs/dbraw/zinc/60/16/47/367601647.db2.gz RIRGZTILPGZCAM-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623598147 367601652 /nfs/dbraw/zinc/60/16/52/367601652.db2.gz RIRGZTILPGZCAM-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623598147 367601654 /nfs/dbraw/zinc/60/16/54/367601654.db2.gz RIRGZTILPGZCAM-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]CCC[NH+]2CCC[C@H]2C(N)=O)CC1(C)C ZINC000623620093 367606971 /nfs/dbraw/zinc/60/69/71/367606971.db2.gz FOGTWRYGVXOMSV-KBPBESRZSA-N 3 2 296.459 0.789 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]CCC[NH+]2CCC[C@H]2C(N)=O)CC1(C)C ZINC000623620093 367606977 /nfs/dbraw/zinc/60/69/77/367606977.db2.gz FOGTWRYGVXOMSV-KBPBESRZSA-N 3 2 296.459 0.789 20 0 CCADLP C[NH+]1CC[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CC1(C)C ZINC000623620093 367606982 /nfs/dbraw/zinc/60/69/82/367606982.db2.gz FOGTWRYGVXOMSV-KBPBESRZSA-N 3 2 296.459 0.789 20 0 CCADLP C[NH+]1CC[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CC1(C)C ZINC000623620093 367606988 /nfs/dbraw/zinc/60/69/88/367606988.db2.gz FOGTWRYGVXOMSV-KBPBESRZSA-N 3 2 296.459 0.789 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000623565310 367592176 /nfs/dbraw/zinc/59/21/76/367592176.db2.gz ISFFWEUUECJJBE-MJBXVCDLSA-N 2 2 296.415 0.243 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000623565310 367592177 /nfs/dbraw/zinc/59/21/77/367592177.db2.gz ISFFWEUUECJJBE-MJBXVCDLSA-N 2 2 296.415 0.243 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000623565310 367592184 /nfs/dbraw/zinc/59/21/84/367592184.db2.gz ISFFWEUUECJJBE-MJBXVCDLSA-N 2 2 296.415 0.243 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000623565310 367592187 /nfs/dbraw/zinc/59/21/87/367592187.db2.gz ISFFWEUUECJJBE-MJBXVCDLSA-N 2 2 296.415 0.243 20 0 CCADLP C[C@@H](C(=O)N1CCC(CC[NH3+])CC1)[NH+]1CCN(C)CC1 ZINC000566405845 291399632 /nfs/dbraw/zinc/39/96/32/291399632.db2.gz DVOFXNJZKMADQW-ZDUSSCGKSA-N 2 2 282.432 0.210 20 0 CCADLP CN(C)c1cc[nH+]cc1CNCC[N@@H+]1CC[C@H](O)C1 ZINC000623837777 367675142 /nfs/dbraw/zinc/67/51/42/367675142.db2.gz UGMLZTTUPUNVPH-ZDUSSCGKSA-N 2 2 264.373 0.304 20 0 CCADLP CN(C)c1cc[nH+]cc1CNCC[N@H+]1CC[C@H](O)C1 ZINC000623837777 367675147 /nfs/dbraw/zinc/67/51/47/367675147.db2.gz UGMLZTTUPUNVPH-ZDUSSCGKSA-N 2 2 264.373 0.304 20 0 CCADLP CN(C)c1cc[nH+]cc1C[NH2+]CCN1CC[C@H](O)C1 ZINC000623837777 367675151 /nfs/dbraw/zinc/67/51/51/367675151.db2.gz UGMLZTTUPUNVPH-ZDUSSCGKSA-N 2 2 264.373 0.304 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)[C@@H]1CCCOC1 ZINC000624085895 367749208 /nfs/dbraw/zinc/74/92/08/367749208.db2.gz IFPGJFFJMRAJRN-MCIONIFRSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)[C@@H]1CCCOC1 ZINC000624085895 367749218 /nfs/dbraw/zinc/74/92/18/367749218.db2.gz IFPGJFFJMRAJRN-MCIONIFRSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000624122355 367760103 /nfs/dbraw/zinc/76/01/03/367760103.db2.gz OYNRGQHTIFLYTB-NWDGAFQWSA-N 2 2 262.419 0.741 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624122355 367760109 /nfs/dbraw/zinc/76/01/09/367760109.db2.gz OYNRGQHTIFLYTB-NWDGAFQWSA-N 2 2 262.419 0.741 20 0 CCADLP Cn1nnc2c1CC[C@H]([NH2+]CC[NH2+]C(C)(C)C)C2 ZINC000656193701 412762117 /nfs/dbraw/zinc/76/21/17/412762117.db2.gz PQQGYPKDWVIYCQ-JTQLQIEISA-N 2 2 251.378 0.650 20 0 CCADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](O)C1)c1cccc(CO)c1 ZINC000624336536 367838307 /nfs/dbraw/zinc/83/83/07/367838307.db2.gz TVMAPKOFJKXEMB-WFASDCNBSA-N 2 2 264.369 0.896 20 0 CCADLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](O)C1)c1cccc(CO)c1 ZINC000624336536 367838316 /nfs/dbraw/zinc/83/83/16/367838316.db2.gz TVMAPKOFJKXEMB-WFASDCNBSA-N 2 2 264.369 0.896 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)NC[C@H]1CCCC[NH+](C)C1 ZINC000624609115 367928034 /nfs/dbraw/zinc/92/80/34/367928034.db2.gz ORBJYEKTCTYTNX-KGLIPLIRSA-N 2 2 298.431 0.348 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)NC[C@H]1CCCC[NH+](C)C1 ZINC000624609115 367928041 /nfs/dbraw/zinc/92/80/41/367928041.db2.gz ORBJYEKTCTYTNX-KGLIPLIRSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000624609115 367928048 /nfs/dbraw/zinc/92/80/48/367928048.db2.gz ORBJYEKTCTYTNX-KGLIPLIRSA-N 2 2 298.431 0.348 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624609115 367928057 /nfs/dbraw/zinc/92/80/57/367928057.db2.gz ORBJYEKTCTYTNX-KGLIPLIRSA-N 2 2 298.431 0.348 20 0 CCADLP Cc1nc(NC[C@H]2COCC[N@H+]2C)c(C)c(C)[nH+]1 ZINC000624619659 367930742 /nfs/dbraw/zinc/93/07/42/367930742.db2.gz HYBREYPKOXVDNT-LBPRGKRZSA-N 2 2 250.346 0.566 20 0 CCADLP Cc1nc(NC[C@H]2COCC[N@@H+]2C)c(C)c(C)[nH+]1 ZINC000624619659 367930748 /nfs/dbraw/zinc/93/07/48/367930748.db2.gz HYBREYPKOXVDNT-LBPRGKRZSA-N 2 2 250.346 0.566 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNc1cc[nH+]c(N2CCCCC2)n1 ZINC000624620580 367932161 /nfs/dbraw/zinc/93/21/61/367932161.db2.gz HDASKRAOXNLBCT-CYBMUJFWSA-N 2 2 291.399 0.631 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNc1cc[nH+]c(N2CCCCC2)n1 ZINC000624620580 367932163 /nfs/dbraw/zinc/93/21/63/367932163.db2.gz HDASKRAOXNLBCT-CYBMUJFWSA-N 2 2 291.399 0.631 20 0 CCADLP CCCCNc1cc(NC[C@@H]2COCC[N@@H+]2C)nc(N)[nH+]1 ZINC000624620631 367933208 /nfs/dbraw/zinc/93/32/08/367933208.db2.gz IKMGMOLVXCQDGW-LLVKDONJSA-N 2 2 294.403 0.266 20 0 CCADLP CCCCNc1cc(NC[C@@H]2COCC[N@H+]2C)nc(N)[nH+]1 ZINC000624620631 367933211 /nfs/dbraw/zinc/93/32/11/367933211.db2.gz IKMGMOLVXCQDGW-LLVKDONJSA-N 2 2 294.403 0.266 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCc2c(nnn2C)C1 ZINC000656201215 412763699 /nfs/dbraw/zinc/76/36/99/412763699.db2.gz KRZKRULPCZPPFR-IJLUTSLNSA-N 2 2 279.388 0.029 20 0 CCADLP C[C@@H]1CN(C(=O)NC[C@H]2COCC[NH+]2C)C[C@H](C)[N@H+]1C ZINC000624735006 367972983 /nfs/dbraw/zinc/97/29/83/367972983.db2.gz TVVDHBXYBZDIRD-XQQFMLRXSA-N 2 2 284.404 0.051 20 0 CCADLP C[C@@H]1CN(C(=O)NC[C@H]2COCC[NH+]2C)C[C@H](C)[N@@H+]1C ZINC000624735006 367972988 /nfs/dbraw/zinc/97/29/88/367972988.db2.gz TVVDHBXYBZDIRD-XQQFMLRXSA-N 2 2 284.404 0.051 20 0 CCADLP C[C@@H]1CN(C(=O)NC[C@H]2COCC[N@@H+]2C)C[C@H](C)[NH+]1C ZINC000624735006 367972996 /nfs/dbraw/zinc/97/29/96/367972996.db2.gz TVVDHBXYBZDIRD-XQQFMLRXSA-N 2 2 284.404 0.051 20 0 CCADLP C[C@@H]1CN(C(=O)NC[C@H]2COCC[N@H+]2C)C[C@H](C)[NH+]1C ZINC000624735006 367973002 /nfs/dbraw/zinc/97/30/02/367973002.db2.gz TVVDHBXYBZDIRD-XQQFMLRXSA-N 2 2 284.404 0.051 20 0 CCADLP C[N@@H+]1CC[C@@]2(CCN(C(=O)NC[C@@H]3COCC[NH+]3C)C2)C1 ZINC000624734645 367973211 /nfs/dbraw/zinc/97/32/11/367973211.db2.gz SDKVCJSTOFCSBJ-UKRRQHHQSA-N 2 2 296.415 0.054 20 0 CCADLP C[N@H+]1CC[C@@]2(CCN(C(=O)NC[C@@H]3COCC[NH+]3C)C2)C1 ZINC000624734645 367973216 /nfs/dbraw/zinc/97/32/16/367973216.db2.gz SDKVCJSTOFCSBJ-UKRRQHHQSA-N 2 2 296.415 0.054 20 0 CCADLP C[NH+]1CC[C@@]2(CCN(C(=O)NC[C@@H]3COCC[N@@H+]3C)C2)C1 ZINC000624734645 367973223 /nfs/dbraw/zinc/97/32/23/367973223.db2.gz SDKVCJSTOFCSBJ-UKRRQHHQSA-N 2 2 296.415 0.054 20 0 CCADLP C[NH+]1CC[C@@]2(CCN(C(=O)NC[C@@H]3COCC[N@H+]3C)C2)C1 ZINC000624734645 367973228 /nfs/dbraw/zinc/97/32/28/367973228.db2.gz SDKVCJSTOFCSBJ-UKRRQHHQSA-N 2 2 296.415 0.054 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000624744380 367980915 /nfs/dbraw/zinc/98/09/15/367980915.db2.gz QSEKOFLNTOAKOQ-MJBXVCDLSA-N 2 2 296.415 0.243 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000624744380 367980921 /nfs/dbraw/zinc/98/09/21/367980921.db2.gz QSEKOFLNTOAKOQ-MJBXVCDLSA-N 2 2 296.415 0.243 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000624744380 367980924 /nfs/dbraw/zinc/98/09/24/367980924.db2.gz QSEKOFLNTOAKOQ-MJBXVCDLSA-N 2 2 296.415 0.243 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000624744380 367980930 /nfs/dbraw/zinc/98/09/30/367980930.db2.gz QSEKOFLNTOAKOQ-MJBXVCDLSA-N 2 2 296.415 0.243 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656200099 412764535 /nfs/dbraw/zinc/76/45/35/412764535.db2.gz JMSGGUZGGYACON-XDQVBPFNSA-N 3 2 255.406 0.683 20 0 CCADLP C[NH2+]CCOCCNC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000625862561 368348634 /nfs/dbraw/zinc/34/86/34/368348634.db2.gz KOTUJHJFZJIPBB-UHFFFAOYSA-N 2 2 277.328 0.692 20 0 CCADLP Cn1ncc2c1nc(NC[C@H]1C[C@@H]([NH+](C)C)C1)[nH+]c2N ZINC000656212040 412768342 /nfs/dbraw/zinc/76/83/42/412768342.db2.gz XGPWCXJXFZIBMA-DTORHVGOSA-N 2 2 275.360 0.698 20 0 CCADLP CCOC[C@@H](O)C[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000566615295 291426489 /nfs/dbraw/zinc/42/64/89/291426489.db2.gz ICSYTROOCPCLBS-ZDUSSCGKSA-N 2 2 267.373 0.749 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262915977 284051837 /nfs/dbraw/zinc/05/18/37/284051837.db2.gz GILQTDSVCPVBBV-PSASIEDQSA-N 2 2 259.300 0.337 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262915977 284051844 /nfs/dbraw/zinc/05/18/44/284051844.db2.gz GILQTDSVCPVBBV-PSASIEDQSA-N 2 2 259.300 0.337 20 0 CCADLP CC(=O)NC[C@@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000626157859 368464719 /nfs/dbraw/zinc/46/47/19/368464719.db2.gz CXOZLEMOAYQNTF-ZDUSSCGKSA-N 2 2 250.346 0.874 20 0 CCADLP CC(=O)NC[C@@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000626157859 368464720 /nfs/dbraw/zinc/46/47/20/368464720.db2.gz CXOZLEMOAYQNTF-ZDUSSCGKSA-N 2 2 250.346 0.874 20 0 CCADLP O=C(NCC[N@H+]1CC[C@H](O)C1)Nc1ccn2cc[nH+]c2c1 ZINC000626548342 368577101 /nfs/dbraw/zinc/57/71/01/368577101.db2.gz DFPXGDPLNAQTBW-LBPRGKRZSA-N 2 2 289.339 0.522 20 0 CCADLP O=C(NCC[N@@H+]1CC[C@H](O)C1)Nc1ccn2cc[nH+]c2c1 ZINC000626548342 368577106 /nfs/dbraw/zinc/57/71/06/368577106.db2.gz DFPXGDPLNAQTBW-LBPRGKRZSA-N 2 2 289.339 0.522 20 0 CCADLP CCN(CC[NH3+])C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000626969512 368701848 /nfs/dbraw/zinc/70/18/48/368701848.db2.gz XMLDWFQTFGXLAD-UHFFFAOYSA-N 2 2 272.393 0.087 20 0 CCADLP CCN(CC[NH3+])C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000626969512 368701853 /nfs/dbraw/zinc/70/18/53/368701853.db2.gz XMLDWFQTFGXLAD-UHFFFAOYSA-N 2 2 272.393 0.087 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N[C@@H]1CC[NH2+][C@H]1C)[NH+]1CCOCC1 ZINC000626970850 368703513 /nfs/dbraw/zinc/70/35/13/368703513.db2.gz WANRKLODPJLZJD-WUHRBBMRSA-N 2 2 284.404 0.145 20 0 CCADLP Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)c(C)[nH+]1 ZINC000626891246 368669219 /nfs/dbraw/zinc/66/92/19/368669219.db2.gz YSXMGLNTYCMXOZ-BXKDBHETSA-N 2 2 290.367 0.894 20 0 CCADLP C[NH2+]CCOCCN(C)C(=O)NCCCn1cc[nH+]c1 ZINC000626918332 368677561 /nfs/dbraw/zinc/67/75/61/368677561.db2.gz ZGEKOLQZXUKOKJ-UHFFFAOYSA-N 2 2 283.376 0.151 20 0 CCADLP C[NH2+]CCOCCN(C)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000627015875 368738625 /nfs/dbraw/zinc/73/86/25/368738625.db2.gz BXNODOZCPCAKHP-LBPRGKRZSA-N 2 2 295.387 0.075 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)N[C@H]2CCn3cc[nH+]c3C2)C[NH2+]1 ZINC000627017063 368738971 /nfs/dbraw/zinc/73/89/71/368738971.db2.gz ZBAUWYQYDKRRQY-WOPDTQHZSA-N 2 2 277.372 0.638 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NC1(C[NH3+])CCOCC1 ZINC000627053125 368758898 /nfs/dbraw/zinc/75/88/98/368758898.db2.gz YAQIZMUEUHIGAQ-NSHDSACASA-N 2 2 295.387 0.771 20 0 CCADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(=O)[nH]n1 ZINC000330611431 203035986 /nfs/dbraw/zinc/03/59/86/203035986.db2.gz OXMFLWCBGSXUDB-STQMWFEESA-N 2 2 294.399 0.926 20 0 CCADLP C[C@H](NC(=O)NC[C@@H]1COCC[N@@H+]1C)[C@H]1CCC[NH2+]C1 ZINC000627070536 368769385 /nfs/dbraw/zinc/76/93/85/368769385.db2.gz VRWUBQWKAAXFQB-RWMBFGLXSA-N 2 2 284.404 0.004 20 0 CCADLP C[C@H](NC(=O)NC[C@@H]1COCC[N@H+]1C)[C@H]1CCC[NH2+]C1 ZINC000627070536 368769387 /nfs/dbraw/zinc/76/93/87/368769387.db2.gz VRWUBQWKAAXFQB-RWMBFGLXSA-N 2 2 284.404 0.004 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C[NH2+]1 ZINC000627040622 368750960 /nfs/dbraw/zinc/75/09/60/368750960.db2.gz QQWUPRRDTUZGAN-MXWKQRLJSA-N 2 2 277.372 0.707 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C[NH2+]1 ZINC000627040622 368750961 /nfs/dbraw/zinc/75/09/61/368750961.db2.gz QQWUPRRDTUZGAN-MXWKQRLJSA-N 2 2 277.372 0.707 20 0 CCADLP C[C@H](NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)c1[nH+]ccn1C ZINC000627116904 368809132 /nfs/dbraw/zinc/80/91/32/368809132.db2.gz AXTHXCCSFHCANN-VWYCJHECSA-N 2 2 265.361 0.921 20 0 CCADLP C[NH2+]CCOCCN(C)C(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000627116947 368809503 /nfs/dbraw/zinc/80/95/03/368809503.db2.gz BRQHUQAKKJQYCB-NSHDSACASA-N 2 2 283.376 0.359 20 0 CCADLP CCC[C@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])OCC ZINC000627122479 368813661 /nfs/dbraw/zinc/81/36/61/368813661.db2.gz HOHPFYPQNMOBFL-QWHCGFSZSA-N 2 2 286.420 0.476 20 0 CCADLP CCC[C@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])OCC ZINC000627122479 368813665 /nfs/dbraw/zinc/81/36/65/368813665.db2.gz HOHPFYPQNMOBFL-QWHCGFSZSA-N 2 2 286.420 0.476 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000627167447 368840658 /nfs/dbraw/zinc/84/06/58/368840658.db2.gz GATUQYQTYQAFNY-QWHCGFSZSA-N 2 2 284.404 0.101 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000627089472 368789302 /nfs/dbraw/zinc/78/93/02/368789302.db2.gz MTCXFJMZKJULBW-OLZOCXBDSA-N 2 2 284.404 0.134 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000627089472 368789307 /nfs/dbraw/zinc/78/93/07/368789307.db2.gz MTCXFJMZKJULBW-OLZOCXBDSA-N 2 2 284.404 0.134 20 0 CCADLP Cc1cc(CNC(=O)N(C)CCOCC[NH3+])cc(C)[nH+]1 ZINC000627107357 368800328 /nfs/dbraw/zinc/80/03/28/368800328.db2.gz XRMVGNHUDRLPAO-UHFFFAOYSA-N 2 2 280.372 0.815 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)N[C@@H]1CC[NH2+][C@H]1C)CC2 ZINC000627242265 368905161 /nfs/dbraw/zinc/90/51/61/368905161.db2.gz PHFLTDWJBLASNM-WDEREUQCSA-N 2 2 263.345 0.467 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1C[C@H]3[C@@H](C1)[C@@H]3[NH+](C)C)CC2 ZINC000627657193 369070746 /nfs/dbraw/zinc/07/07/46/369070746.db2.gz VIYXAJYJSHKRCZ-RMRHIDDWSA-N 2 2 288.395 0.772 20 0 CCADLP C[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)[C@@H]1CCC[NH2+]1 ZINC000423116224 296133021 /nfs/dbraw/zinc/13/30/21/296133021.db2.gz ZYTTVDAIUVHDJI-UPJWGTAASA-N 2 2 289.445 0.531 20 0 CCADLP Cc1c[nH]c(CN2CCN(CC[NH+]3CCCC3)CC2)[nH+]1 ZINC000628121060 369186153 /nfs/dbraw/zinc/18/61/53/369186153.db2.gz PNZLURRDZAMFPQ-UHFFFAOYSA-N 2 2 277.416 0.932 20 0 CCADLP COCC(COC)[NH+]1CCN(Cc2[nH]c(C)c(C)[nH+]2)CC1 ZINC000628310102 369237739 /nfs/dbraw/zinc/23/77/39/369237739.db2.gz NWTGRLXULSGYNG-UHFFFAOYSA-N 2 2 296.415 0.806 20 0 CCADLP Cc1c[nH]c(CN2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)[nH+]1 ZINC000628314038 369239107 /nfs/dbraw/zinc/23/91/07/369239107.db2.gz KWVDHTXNMHVMDY-NEPJUHHUSA-N 2 2 252.362 0.605 20 0 CCADLP Cc1c[nH]c(CN2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)[nH+]1 ZINC000628314038 369239114 /nfs/dbraw/zinc/23/91/14/369239114.db2.gz KWVDHTXNMHVMDY-NEPJUHHUSA-N 2 2 252.362 0.605 20 0 CCADLP CC(C)NC(=O)CC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000330797575 203247268 /nfs/dbraw/zinc/24/72/68/203247268.db2.gz XYQJGQKGJQPIML-UHFFFAOYSA-N 2 2 279.388 0.442 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330809550 203263128 /nfs/dbraw/zinc/26/31/28/203263128.db2.gz KCMBPDSKBVLMBD-MRVPVSSYSA-N 2 2 265.317 0.587 20 0 CCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H]1COCC[N@@H+]1C ZINC000628911906 369443510 /nfs/dbraw/zinc/44/35/10/369443510.db2.gz CULUCPMHSDCZRW-OLZOCXBDSA-N 2 2 294.399 0.843 20 0 CCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H]1COCC[N@H+]1C ZINC000628911906 369443512 /nfs/dbraw/zinc/44/35/12/369443512.db2.gz CULUCPMHSDCZRW-OLZOCXBDSA-N 2 2 294.399 0.843 20 0 CCADLP CC(C)[C@@H](C(=O)NC[C@@H]1COCC[N@@H+]1C)[NH+](C)C ZINC000628920316 369463645 /nfs/dbraw/zinc/46/36/45/369463645.db2.gz UYDMXZVQSMXNQT-NEPJUHHUSA-N 2 2 257.378 0.019 20 0 CCADLP CC(C)[C@@H](C(=O)NC[C@@H]1COCC[N@H+]1C)[NH+](C)C ZINC000628920316 369463648 /nfs/dbraw/zinc/46/36/48/369463648.db2.gz UYDMXZVQSMXNQT-NEPJUHHUSA-N 2 2 257.378 0.019 20 0 CCADLP O=C(NCC[N@H+]1CC[C@@H](O)C1)c1ccc2[nH+]ccn2c1 ZINC000629175532 369556549 /nfs/dbraw/zinc/55/65/49/369556549.db2.gz AWLXCMKLWKCVPC-GFCCVEGCSA-N 2 2 274.324 0.131 20 0 CCADLP O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1ccc2[nH+]ccn2c1 ZINC000629175532 369556551 /nfs/dbraw/zinc/55/65/51/369556551.db2.gz AWLXCMKLWKCVPC-GFCCVEGCSA-N 2 2 274.324 0.131 20 0 CCADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@H]3CC(C(N)=O)=NO3)n2c1 ZINC000276410936 193321013 /nfs/dbraw/zinc/32/10/13/193321013.db2.gz GYBCMYHDHUAATB-LLVKDONJSA-N 2 2 287.323 0.363 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629561874 369710408 /nfs/dbraw/zinc/71/04/08/369710408.db2.gz KDELKNQXJCLINC-UTLUCORTSA-N 2 2 281.322 0.922 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629561874 369710411 /nfs/dbraw/zinc/71/04/11/369710411.db2.gz KDELKNQXJCLINC-UTLUCORTSA-N 2 2 281.322 0.922 20 0 CCADLP CC(C)N1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1=O ZINC000629565528 369711911 /nfs/dbraw/zinc/71/19/11/369711911.db2.gz KGKNRWSDZGAHRH-STQMWFEESA-N 2 2 269.389 0.042 20 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2 2 253.350 0.156 20 0 CCADLP [NH3+]CCCOCC[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000629536402 369694968 /nfs/dbraw/zinc/69/49/68/369694968.db2.gz HCSNEAYBKRSOSP-ZDUSSCGKSA-N 2 2 275.356 0.849 20 0 CCADLP O[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000629544238 369698939 /nfs/dbraw/zinc/69/89/39/369698939.db2.gz ILTXKZQHDINWMU-REWJHTLYSA-N 3 2 253.390 0.031 20 0 CCADLP O[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000629544238 369698943 /nfs/dbraw/zinc/69/89/43/369698943.db2.gz ILTXKZQHDINWMU-REWJHTLYSA-N 3 2 253.390 0.031 20 0 CCADLP CO[C@H]1C[C@@H](C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000629553606 369703623 /nfs/dbraw/zinc/70/36/23/369703623.db2.gz AXNBPTQCQIZEAK-YXCITZCRSA-N 2 2 254.374 0.768 20 0 CCADLP C[C@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)[C@@H]1CCC[NH2+]1 ZINC000629555778 369705835 /nfs/dbraw/zinc/70/58/35/369705835.db2.gz DJVYKCHHRXZALE-WCFLWFBJSA-N 2 2 251.374 0.870 20 0 CCADLP O=C(CC[NH2+]CC[N@H+]1CC[C@@H](O)C1)Nc1cccnc1 ZINC000629606852 369738176 /nfs/dbraw/zinc/73/81/76/369738176.db2.gz NJEMPQODAVFCPS-CYBMUJFWSA-N 2 2 278.356 0.066 20 0 CCADLP O=C(CC[NH2+]CC[N@@H+]1CC[C@@H](O)C1)Nc1cccnc1 ZINC000629606852 369738181 /nfs/dbraw/zinc/73/81/81/369738181.db2.gz NJEMPQODAVFCPS-CYBMUJFWSA-N 2 2 278.356 0.066 20 0 CCADLP C[C@H](CNC(=O)C=Cc1c[nH]c[nH+]1)C[NH+]1CCN(C)CC1 ZINC000276572992 193386284 /nfs/dbraw/zinc/38/62/84/193386284.db2.gz KQKAMMJVWBYNPN-ITDFMYJTSA-N 2 2 291.399 0.423 20 0 CCADLP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000629653074 369747748 /nfs/dbraw/zinc/74/77/48/369747748.db2.gz MHZBEPGKUULUGV-ZJUUUORDSA-N 3 2 265.361 0.261 20 0 CCADLP CC(C)C[C@H]([NH3+])C[NH+]1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000629653476 369748830 /nfs/dbraw/zinc/74/88/30/369748830.db2.gz IDPJPPTVEIOCNS-NSHDSACASA-N 2 2 294.403 0.387 20 0 CCADLP CCN(CC[NH3+])C(=O)C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000629795623 369778264 /nfs/dbraw/zinc/77/82/64/369778264.db2.gz ZDBVUHYPVHTGCX-NSHDSACASA-N 2 2 293.371 0.271 20 0 CCADLP C[N@H+](CC(=O)N[C@H]1CCn2cc[nH+]c2C1)C1CCC1 ZINC000629983692 369870091 /nfs/dbraw/zinc/87/00/91/369870091.db2.gz VEQSNFYGYXVDEC-NSHDSACASA-N 2 2 262.357 0.798 20 0 CCADLP C[N@@H+](CC(=O)N[C@H]1CCn2cc[nH+]c2C1)C1CCC1 ZINC000629983692 369870097 /nfs/dbraw/zinc/87/00/97/369870097.db2.gz VEQSNFYGYXVDEC-NSHDSACASA-N 2 2 262.357 0.798 20 0 CCADLP C[NH2+]C1(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCC1 ZINC000630001478 369885013 /nfs/dbraw/zinc/88/50/13/369885013.db2.gz AGVOGFVPFWIZPM-LLVKDONJSA-N 2 2 262.357 0.704 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](c2cc(=O)[nH]c(N)n2)C1 ZINC000630378375 370082565 /nfs/dbraw/zinc/08/25/65/370082565.db2.gz GUWNLSLZDFSVIE-JTQLQIEISA-N 2 2 288.355 0.360 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](c2cc(=O)[nH]c(N)n2)C1 ZINC000630378375 370082571 /nfs/dbraw/zinc/08/25/71/370082571.db2.gz GUWNLSLZDFSVIE-JTQLQIEISA-N 2 2 288.355 0.360 20 0 CCADLP O=C1CCCN1CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000567528334 291489963 /nfs/dbraw/zinc/48/99/63/291489963.db2.gz TTZXVNFQESEKKU-UHFFFAOYSA-N 2 2 263.345 0.154 20 0 CCADLP Cc1nc(NC[C@H]2COCC[NH2+]2)c2c([nH+]1)CCCC2 ZINC000630534811 370155256 /nfs/dbraw/zinc/15/52/56/370155256.db2.gz NBLVNKJRYZJZQJ-NSHDSACASA-N 2 2 262.357 0.486 20 0 CCADLP C[C@H](O)[C@@H]1CCN(c2cc(N[C@@H]3CC[NH2+][C@H]3C)nc[nH+]2)C1 ZINC000630546571 370162299 /nfs/dbraw/zinc/16/22/99/370162299.db2.gz XHTUXJLAVUHKRT-WUHRBBMRSA-N 2 2 291.399 0.846 20 0 CCADLP CC(C)[C@@H]([NH3+])c1cn(CC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000630612271 370209442 /nfs/dbraw/zinc/20/94/42/370209442.db2.gz SYCQWEMEBCUFRS-CQSZACIVSA-N 3 2 282.436 0.817 20 0 CCADLP CC(C)[C@@H]([NH3+])c1cn(CC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000630612271 370209445 /nfs/dbraw/zinc/20/94/45/370209445.db2.gz SYCQWEMEBCUFRS-CQSZACIVSA-N 3 2 282.436 0.817 20 0 CCADLP C[NH2+][C@@H](C)c1cn(CC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000630611730 370209803 /nfs/dbraw/zinc/20/98/03/370209803.db2.gz JNQNNXUBCDXRJO-LBPRGKRZSA-N 3 2 268.409 0.442 20 0 CCADLP C[NH2+][C@@H](C)c1cn(CC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000630611730 370209806 /nfs/dbraw/zinc/20/98/06/370209806.db2.gz JNQNNXUBCDXRJO-LBPRGKRZSA-N 3 2 268.409 0.442 20 0 CCADLP Cc1nc(NC[C@H](c2cccc(F)c2)[NH+](C)C)nc(N)[nH+]1 ZINC000631040553 370366762 /nfs/dbraw/zinc/36/67/62/370366762.db2.gz ACWWYUDSYLCARU-GFCCVEGCSA-N 2 2 290.346 0.868 20 0 CCADLP Cc1nc(NC[C@H](c2ccco2)[NH+]2CCCC2)nc(N)[nH+]1 ZINC000631043756 370366842 /nfs/dbraw/zinc/36/68/42/370366842.db2.gz YTACQJAOYXEXAQ-LLVKDONJSA-N 2 2 288.355 0.856 20 0 CCADLP Cc1nc(N2CC[N@H+](C)[C@H](C(C)C)C2)nc(N)[nH+]1 ZINC000631244902 370436884 /nfs/dbraw/zinc/43/68/84/370436884.db2.gz VNTQNLGVCZEWQV-JTQLQIEISA-N 2 2 250.350 0.369 20 0 CCADLP Cc1nc(N2CC[N@@H+](C)[C@H](C(C)C)C2)nc(N)[nH+]1 ZINC000631244902 370436891 /nfs/dbraw/zinc/43/68/91/370436891.db2.gz VNTQNLGVCZEWQV-JTQLQIEISA-N 2 2 250.350 0.369 20 0 CCADLP COC(=O)[C@H](C)C[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000310849155 284250098 /nfs/dbraw/zinc/25/00/98/284250098.db2.gz IUDUUOQUQRLRJB-PWSUYJOCSA-N 2 2 258.362 0.182 20 0 CCADLP COC(=O)[C@H](C)C[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000310849155 284250101 /nfs/dbraw/zinc/25/01/01/284250101.db2.gz IUDUUOQUQRLRJB-PWSUYJOCSA-N 2 2 258.362 0.182 20 0 CCADLP COC(=O)[C@H](C)C[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000310849155 284250107 /nfs/dbraw/zinc/25/01/07/284250107.db2.gz IUDUUOQUQRLRJB-PWSUYJOCSA-N 2 2 258.362 0.182 20 0 CCADLP COC(=O)[C@H](C)C[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000310849155 284250109 /nfs/dbraw/zinc/25/01/09/284250109.db2.gz IUDUUOQUQRLRJB-PWSUYJOCSA-N 2 2 258.362 0.182 20 0 CCADLP CN(C)c1ccc(CNC(=O)COC2CC[NH2+]CC2)c[nH+]1 ZINC000567776361 291513102 /nfs/dbraw/zinc/51/31/02/291513102.db2.gz YUVKHBVYNLQJTJ-UHFFFAOYSA-N 2 2 292.383 0.532 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)S(=O)(=O)CCC[NH+]1CCCC1 ZINC000632757785 371247723 /nfs/dbraw/zinc/24/77/23/371247723.db2.gz SPJPOEAUYLTOND-UHFFFAOYSA-N 2 2 286.401 0.657 20 0 CCADLP COc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c(F)c1 ZINC000632965542 371341957 /nfs/dbraw/zinc/34/19/57/371341957.db2.gz MEEZMMKDWMDFJP-SNVBAGLBSA-N 2 2 296.346 0.941 20 0 CCADLP COc1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c(F)c1 ZINC000632965542 371341971 /nfs/dbraw/zinc/34/19/71/371341971.db2.gz MEEZMMKDWMDFJP-SNVBAGLBSA-N 2 2 296.346 0.941 20 0 CCADLP CC[NH2+]CCCNC(=O)NCC[N@@H+]1CCO[C@H](CC)C1 ZINC000634114854 371897240 /nfs/dbraw/zinc/89/72/40/371897240.db2.gz BCADAGDCNZNSIR-CYBMUJFWSA-N 2 2 286.420 0.396 20 0 CCADLP CC[NH2+]CCCNC(=O)NCC[N@H+]1CCO[C@H](CC)C1 ZINC000634114854 371897244 /nfs/dbraw/zinc/89/72/44/371897244.db2.gz BCADAGDCNZNSIR-CYBMUJFWSA-N 2 2 286.420 0.396 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000634708549 372153821 /nfs/dbraw/zinc/15/38/21/372153821.db2.gz WLSFIDVKOTXAEW-IPOQPSJVSA-N 2 2 282.428 0.971 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000634708549 372153826 /nfs/dbraw/zinc/15/38/26/372153826.db2.gz WLSFIDVKOTXAEW-IPOQPSJVSA-N 2 2 282.428 0.971 20 0 CCADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)CC2(O)CCOCC2)C1 ZINC000634722291 372168893 /nfs/dbraw/zinc/16/88/93/372168893.db2.gz MWTFYQCGFGBEOZ-UONOGXRCSA-N 2 2 286.416 0.353 20 0 CCADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)CC2(O)CCOCC2)C1 ZINC000634722291 372168897 /nfs/dbraw/zinc/16/88/97/372168897.db2.gz MWTFYQCGFGBEOZ-UONOGXRCSA-N 2 2 286.416 0.353 20 0 CCADLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000634722197 372168963 /nfs/dbraw/zinc/16/89/63/372168963.db2.gz LGAATHAQEUUTPZ-BFHYXJOUSA-N 2 2 256.390 0.582 20 0 CCADLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000634722197 372168966 /nfs/dbraw/zinc/16/89/66/372168966.db2.gz LGAATHAQEUUTPZ-BFHYXJOUSA-N 2 2 256.390 0.582 20 0 CCADLP CN1CCCC[C@@H]([N@H+](C)C[C@H](O)C[NH+](C)C2CC2)C1=O ZINC000634743932 372189770 /nfs/dbraw/zinc/18/97/70/372189770.db2.gz JBYFECQCDPVTDM-ZIAGYGMSSA-N 2 2 283.416 0.384 20 0 CCADLP CN1CCCC[C@@H]([N@@H+](C)C[C@H](O)C[NH+](C)C2CC2)C1=O ZINC000634743932 372189772 /nfs/dbraw/zinc/18/97/72/372189772.db2.gz JBYFECQCDPVTDM-ZIAGYGMSSA-N 2 2 283.416 0.384 20 0 CCADLP CN1CCCC[C@@H]([NH+](C)C[C@H](O)C[N@H+](C)C2CC2)C1=O ZINC000634743932 372189775 /nfs/dbraw/zinc/18/97/75/372189775.db2.gz JBYFECQCDPVTDM-ZIAGYGMSSA-N 2 2 283.416 0.384 20 0 CCADLP CN1CCCC[C@@H]([NH+](C)C[C@H](O)C[N@@H+](C)C2CC2)C1=O ZINC000634743932 372189778 /nfs/dbraw/zinc/18/97/78/372189778.db2.gz JBYFECQCDPVTDM-ZIAGYGMSSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@@H](O)CNc1cc(N2CCC[C@@H]([NH3+])C2)nc[nH+]1 ZINC000634807695 372247364 /nfs/dbraw/zinc/24/73/64/372247364.db2.gz XOYXJYUUHHWLKP-NXEZZACHSA-N 2 2 251.334 0.197 20 0 CCADLP c1nc(N2CC[C@@H]3CC[NH2+][C@H]3C2)c2c([nH+]1)NCCO2 ZINC000634808112 372249476 /nfs/dbraw/zinc/24/94/76/372249476.db2.gz JPCWXTZVLGPLTA-UWVGGRQHSA-N 2 2 261.329 0.469 20 0 CCADLP C[C@H](O)CNc1cc(N[C@H]2CC[C@H]([NH3+])CC2)nc[nH+]1 ZINC000634813707 372258041 /nfs/dbraw/zinc/25/80/41/372258041.db2.gz VCBAIVODWJZSPF-DCAQKATOSA-N 2 2 265.361 0.951 20 0 CCADLP C[C@H](O)CNc1cc(N[C@H]2CC[C@H]([NH3+])CC2)[nH+]cn1 ZINC000634813707 372258049 /nfs/dbraw/zinc/25/80/49/372258049.db2.gz VCBAIVODWJZSPF-DCAQKATOSA-N 2 2 265.361 0.951 20 0 CCADLP c1cc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)no1 ZINC000634962503 372313673 /nfs/dbraw/zinc/31/36/73/372313673.db2.gz VDKGFACRWJQVMG-AWEZNQCLSA-N 2 2 280.372 0.171 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1ccc2nccnc2c1 ZINC000634961633 372314410 /nfs/dbraw/zinc/31/44/10/372314410.db2.gz ZGLFTRFBGOBMHG-CQSZACIVSA-N 2 2 285.395 0.965 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1ccc2nccnc2c1 ZINC000634961633 372314415 /nfs/dbraw/zinc/31/44/15/372314415.db2.gz ZGLFTRFBGOBMHG-CQSZACIVSA-N 2 2 285.395 0.965 20 0 CCADLP C[C@@H](C[NH2+][C@@H]1CCNC(=O)CC1)C[NH+]1CCOCC1 ZINC000634963526 372316130 /nfs/dbraw/zinc/31/61/30/372316130.db2.gz WADMEVMNXMPKAJ-STQMWFEESA-N 2 2 269.389 0.213 20 0 CCADLP OCC[N@H+](CCOCC(F)(F)F)CC12CC(C1)C[NH2+]2 ZINC000634992116 372327907 /nfs/dbraw/zinc/32/79/07/372327907.db2.gz DTKIFCSOGYVZQP-UHFFFAOYSA-N 2 2 282.306 0.612 20 0 CCADLP OCC[N@@H+](CCOCC(F)(F)F)CC12CC(C1)C[NH2+]2 ZINC000634992116 372327911 /nfs/dbraw/zinc/32/79/11/372327911.db2.gz DTKIFCSOGYVZQP-UHFFFAOYSA-N 2 2 282.306 0.612 20 0 CCADLP CC(C)[C@H](C[NH3+])C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000634993670 372328559 /nfs/dbraw/zinc/32/85/59/372328559.db2.gz BHVYMDJZRRRNRI-ZIAGYGMSSA-N 3 2 282.432 0.114 20 0 CCADLP CC(C)[C@H](C[NH3+])C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000634993670 372328564 /nfs/dbraw/zinc/32/85/64/372328564.db2.gz BHVYMDJZRRRNRI-ZIAGYGMSSA-N 3 2 282.432 0.114 20 0 CCADLP CN(C)C(=O)N(C)[C@H]1CC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634996867 372332635 /nfs/dbraw/zinc/33/26/35/372332635.db2.gz XOHKFNIZZOAGSM-LXVYMNJGSA-N 2 2 266.389 0.426 20 0 CCADLP CN(C)C(=O)N(C)[C@H]1CC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634996867 372332642 /nfs/dbraw/zinc/33/26/42/372332642.db2.gz XOHKFNIZZOAGSM-LXVYMNJGSA-N 2 2 266.389 0.426 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H](n1cncn1)C(F)(F)F ZINC000635016462 372346621 /nfs/dbraw/zinc/34/66/21/372346621.db2.gz BTIWNEHTIMFXMN-BBBLOLIVSA-N 2 2 277.294 0.969 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)NCC[NH+]1CCOCC1 ZINC000635072693 372366319 /nfs/dbraw/zinc/36/63/19/372366319.db2.gz YDJQWHUUBSXMKJ-UHFFFAOYSA-N 2 2 280.372 0.455 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCCCC[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000567983200 291543218 /nfs/dbraw/zinc/54/32/18/291543218.db2.gz XXTQYCIFSURUGD-RBSFLKMASA-N 2 2 295.427 0.698 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635495546 372561265 /nfs/dbraw/zinc/56/12/65/372561265.db2.gz LYKHFPNYBNQURO-UHFFFAOYSA-N 2 2 280.372 0.395 20 0 CCADLP [NH3+]CC1(NC(=O)NCCn2cc[nH+]c2)CCCCC1 ZINC000635528740 372590179 /nfs/dbraw/zinc/59/01/79/372590179.db2.gz WEKBMDCCFPWDHJ-UHFFFAOYSA-N 2 2 265.361 0.844 20 0 CCADLP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@H]1COCC[NH2+]1 ZINC000361112704 284328792 /nfs/dbraw/zinc/32/87/92/284328792.db2.gz VQPIIJVIJGOFGS-GFCCVEGCSA-N 2 2 277.324 0.096 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1C[NH+](C)CCO1 ZINC000635712041 372798551 /nfs/dbraw/zinc/79/85/51/372798551.db2.gz LFQFSQYQHFPQQD-AVGNSLFASA-N 2 2 269.389 0.306 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1C[NH+](C)CCO1 ZINC000635712041 372798558 /nfs/dbraw/zinc/79/85/58/372798558.db2.gz LFQFSQYQHFPQQD-AVGNSLFASA-N 2 2 269.389 0.306 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1C[N@H+](C)CCO1 ZINC000635712041 372798563 /nfs/dbraw/zinc/79/85/63/372798563.db2.gz LFQFSQYQHFPQQD-AVGNSLFASA-N 2 2 269.389 0.306 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1C[N@@H+](C)CCO1 ZINC000635712041 372798574 /nfs/dbraw/zinc/79/85/74/372798574.db2.gz LFQFSQYQHFPQQD-AVGNSLFASA-N 2 2 269.389 0.306 20 0 CCADLP CCNC(=O)N1CC[C@H]([NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000333311550 205209079 /nfs/dbraw/zinc/20/90/79/205209079.db2.gz RWSDCIRFNOJDTH-AGIUHOORSA-N 2 2 268.405 0.910 20 0 CCADLP OCc1cc(-n2cc(C[N@H+]3CCC[C@H]3CO)nn2)cc[nH+]1 ZINC000656459121 412805119 /nfs/dbraw/zinc/80/51/19/412805119.db2.gz OPAHAVHSYLVIJG-AWEZNQCLSA-N 2 2 289.339 0.111 20 0 CCADLP OCc1cc(-n2cc(C[N@@H+]3CCC[C@H]3CO)nn2)cc[nH+]1 ZINC000656459121 412805122 /nfs/dbraw/zinc/80/51/22/412805122.db2.gz OPAHAVHSYLVIJG-AWEZNQCLSA-N 2 2 289.339 0.111 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000635918470 373105065 /nfs/dbraw/zinc/10/50/65/373105065.db2.gz RXQTWVGGLGLQFX-AAEUAGOBSA-N 2 2 262.357 0.798 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000635918470 373105073 /nfs/dbraw/zinc/10/50/73/373105073.db2.gz RXQTWVGGLGLQFX-AAEUAGOBSA-N 2 2 262.357 0.798 20 0 CCADLP C[N@H+](CC(=O)N[C@@H]1Cc2c[nH+]cn2C1)CC(C)(C)C ZINC000635987603 373209765 /nfs/dbraw/zinc/20/97/65/373209765.db2.gz WULPBRLZYSUOEU-LLVKDONJSA-N 2 2 264.373 0.902 20 0 CCADLP C[N@@H+](CC(=O)N[C@@H]1Cc2c[nH+]cn2C1)CC(C)(C)C ZINC000635987603 373209777 /nfs/dbraw/zinc/20/97/77/373209777.db2.gz WULPBRLZYSUOEU-LLVKDONJSA-N 2 2 264.373 0.902 20 0 CCADLP CC1(C)C[NH+](CC(=O)NC[C@H](O)C[NH+]2CCCCC2)C1 ZINC000636048316 373292714 /nfs/dbraw/zinc/29/27/14/373292714.db2.gz KXKWEPJLMLBQNY-ZDUSSCGKSA-N 2 2 283.416 0.291 20 0 CCADLP O=C(NCCC[NH+]1CCCC1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636492824 373620646 /nfs/dbraw/zinc/62/06/46/373620646.db2.gz BGESYWFWTHTWFY-GFCCVEGCSA-N 2 2 277.372 0.593 20 0 CCADLP O=C(NCc1ccn2cc[nH+]c2c1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636935334 373830879 /nfs/dbraw/zinc/83/08/79/373830879.db2.gz WITIFTIMQBYKPG-GFCCVEGCSA-N 2 2 296.334 0.955 20 0 CCADLP CO[C@H]1C[C@H](NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C1 ZINC000636987539 373858765 /nfs/dbraw/zinc/85/87/65/373858765.db2.gz OSQMVGGSSYMJMF-MQMHXKEQSA-N 2 2 298.431 0.489 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@H]1CCC[NH+]1C ZINC000637380090 374128464 /nfs/dbraw/zinc/12/84/64/374128464.db2.gz PFCYHNUVHRZTAF-CQSZACIVSA-N 3 2 299.463 0.263 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@H]1CCC[NH+]1C ZINC000637380090 374128471 /nfs/dbraw/zinc/12/84/71/374128471.db2.gz PFCYHNUVHRZTAF-CQSZACIVSA-N 3 2 299.463 0.263 20 0 CCADLP C[NH+](C)CCC[NH+](C)CCNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000637380090 374128479 /nfs/dbraw/zinc/12/84/79/374128479.db2.gz PFCYHNUVHRZTAF-CQSZACIVSA-N 3 2 299.463 0.263 20 0 CCADLP C[NH+](C)CCC[NH+](C)CCNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000637380090 374128488 /nfs/dbraw/zinc/12/84/88/374128488.db2.gz PFCYHNUVHRZTAF-CQSZACIVSA-N 3 2 299.463 0.263 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCCC[NH3+])CC1 ZINC000568396390 291590472 /nfs/dbraw/zinc/59/04/72/291590472.db2.gz GPPHEAZFEHWYPA-UHFFFAOYSA-N 3 2 270.421 0.258 20 0 CCADLP CN(CCC[NH3+])C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC000637854794 374412604 /nfs/dbraw/zinc/41/26/04/374412604.db2.gz LAIIVRCJCKMSHJ-UHFFFAOYSA-N 2 2 274.324 0.999 20 0 CCADLP CN1CCN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)[C@@H](C[NH3+])C1 ZINC000637866151 374429889 /nfs/dbraw/zinc/42/98/89/374429889.db2.gz ITZTWXSBYLQJAR-AWEZNQCLSA-N 2 2 299.378 0.792 20 0 CCADLP CC[NH+](CC)CCN(CCOC)Cc1c[nH+]c(N)nc1N ZINC000638031384 374573288 /nfs/dbraw/zinc/57/32/88/374573288.db2.gz QWNFJHHMSPDQFO-UHFFFAOYSA-N 2 2 296.419 0.092 20 0 CCADLP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000638046652 374587252 /nfs/dbraw/zinc/58/72/52/374587252.db2.gz DFINYGJHBKXVCN-DGCLKSJQSA-N 2 2 266.345 0.156 20 0 CCADLP [NH3+]C[C@@]1(C(=O)NCCCn2cc[nH+]c2)CCCOC1 ZINC000638048248 374589047 /nfs/dbraw/zinc/58/90/47/374589047.db2.gz PLFQGRDZFYJXFF-ZDUSSCGKSA-N 2 2 266.345 0.145 20 0 CCADLP C[C@@H](CNC(=O)[C@@]1(C)C[NH2+]CCO1)Cn1cc[nH+]c1 ZINC000638077209 374632851 /nfs/dbraw/zinc/63/28/51/374632851.db2.gz QRMRANDJKKOJFK-WCQYABFASA-N 2 2 266.345 0.014 20 0 CCADLP CN(C)c1ccc(CNC(=O)C2=CC[C@H]([NH3+])C2)c[nH+]1 ZINC000638067110 374612512 /nfs/dbraw/zinc/61/25/12/374612512.db2.gz AEGLLGUCOSORSN-LBPRGKRZSA-N 2 2 260.341 0.811 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638070172 374619684 /nfs/dbraw/zinc/61/96/84/374619684.db2.gz VYHDDNFHMIXXSG-LBPRGKRZSA-N 2 2 260.341 0.811 20 0 CCADLP [NH3+][C@@H]1CCO[C@@H]1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000638072535 374624853 /nfs/dbraw/zinc/62/48/53/374624853.db2.gz NTJIXCGFRJGALL-OCCSQVGLSA-N 2 2 290.367 0.283 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000638102649 374668457 /nfs/dbraw/zinc/66/84/57/374668457.db2.gz VKNZJGHCEORXFA-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP COc1cccc([C@H]([NH3+])C(=O)NCC(F)(F)C[NH3+])c1 ZINC000638175192 374760157 /nfs/dbraw/zinc/76/01/57/374760157.db2.gz XWNFAJGHBPHADT-JTQLQIEISA-N 2 2 273.283 0.405 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000638143320 374714343 /nfs/dbraw/zinc/71/43/43/374714343.db2.gz ZANDYLPZDHSAJC-IJLUTSLNSA-N 2 2 260.341 0.866 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000638143320 374714345 /nfs/dbraw/zinc/71/43/45/374714345.db2.gz ZANDYLPZDHSAJC-IJLUTSLNSA-N 2 2 260.341 0.866 20 0 CCADLP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000638223038 374810290 /nfs/dbraw/zinc/81/02/90/374810290.db2.gz RRFFOTJYCDBLEO-QWHCGFSZSA-N 2 2 291.399 0.377 20 0 CCADLP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC000638223038 374810295 /nfs/dbraw/zinc/81/02/95/374810295.db2.gz RRFFOTJYCDBLEO-QWHCGFSZSA-N 2 2 291.399 0.377 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)[nH+]1 ZINC000638253130 374847752 /nfs/dbraw/zinc/84/77/52/374847752.db2.gz ZASOZELXALXKKK-TXEJJXNPSA-N 2 2 276.384 0.973 20 0 CCADLP C[C@@H](CNCc1c[nH+]c(N)nc1N)[N@@H+]1CCC[C@@H](C)C1 ZINC000638363707 374961472 /nfs/dbraw/zinc/96/14/72/374961472.db2.gz PSOLUSJMGKZHFH-MNOVXSKESA-N 2 2 278.404 0.512 20 0 CCADLP C[C@@H](CNCc1c[nH+]c(N)nc1N)[N@H+]1CCC[C@@H](C)C1 ZINC000638363707 374961474 /nfs/dbraw/zinc/96/14/74/374961474.db2.gz PSOLUSJMGKZHFH-MNOVXSKESA-N 2 2 278.404 0.512 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cc(C3CC3)no2)CC1 ZINC000638439145 375040884 /nfs/dbraw/zinc/04/08/84/375040884.db2.gz BGKNYQJILBMIJC-UHFFFAOYSA-N 2 2 278.356 0.416 20 0 CCADLP Cc1nc(N)c(CNC(=O)[C@H](C)[NH+]2CC(C)C2)c[nH+]1 ZINC000574582324 335031788 /nfs/dbraw/zinc/03/17/88/335031788.db2.gz GPBDWLUTAOXCQW-VIFPVBQESA-N 2 2 263.345 0.154 20 0 CCADLP CCN(CC[NH3+])C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000638515687 375106013 /nfs/dbraw/zinc/10/60/13/375106013.db2.gz DHQKYAHCUIHIDN-UHFFFAOYSA-N 2 2 250.346 0.569 20 0 CCADLP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000638596243 375176858 /nfs/dbraw/zinc/17/68/58/375176858.db2.gz GZGGEMWQADCXPQ-MCIONIFRSA-N 2 2 282.432 0.269 20 0 CCADLP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000638596243 375176863 /nfs/dbraw/zinc/17/68/63/375176863.db2.gz GZGGEMWQADCXPQ-MCIONIFRSA-N 2 2 282.432 0.269 20 0 CCADLP C[NH2+]CCOCCN(C)C(=O)c1ccn2cc(C)[nH+]c2c1 ZINC000638594811 375177424 /nfs/dbraw/zinc/17/74/24/375177424.db2.gz LLJKCBKDXCLQAA-UHFFFAOYSA-N 2 2 290.367 0.951 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000638609117 375189639 /nfs/dbraw/zinc/18/96/39/375189639.db2.gz DUQXFENSHWKZQS-ZFWWWQNUSA-N 2 2 277.368 0.307 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000638609117 375189647 /nfs/dbraw/zinc/18/96/47/375189647.db2.gz DUQXFENSHWKZQS-ZFWWWQNUSA-N 2 2 277.368 0.307 20 0 CCADLP C[C@@H]([NH3+])CC(=O)NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000638731309 375325293 /nfs/dbraw/zinc/32/52/93/375325293.db2.gz NINGMIPDVXFRSV-OCCSQVGLSA-N 2 2 292.383 0.136 20 0 CCADLP C[C@@H]([NH3+])CC(=O)NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000638731309 375325300 /nfs/dbraw/zinc/32/53/00/375325300.db2.gz NINGMIPDVXFRSV-OCCSQVGLSA-N 2 2 292.383 0.136 20 0 CCADLP COC1CC[NH+](CC[NH2+]CC(C)(C)N2CCOCC2)CC1 ZINC000638905571 375442049 /nfs/dbraw/zinc/44/20/49/375442049.db2.gz SVBXFOWVGAMIQS-UHFFFAOYSA-N 2 2 299.459 0.798 20 0 CCADLP [NH3+][C@@H](CC(F)F)C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638985040 375497956 /nfs/dbraw/zinc/49/79/56/375497956.db2.gz XVQSCRJTQAHMJK-JTQLQIEISA-N 3 2 299.325 0.412 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[NH+](CCc2cnccn2)CC1 ZINC000639004969 375514640 /nfs/dbraw/zinc/51/46/40/375514640.db2.gz RZPAEKLQAIJHME-STQMWFEESA-N 2 2 291.399 0.147 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cc(C3CC3)no2)C1 ZINC000639049336 375547879 /nfs/dbraw/zinc/54/78/79/375547879.db2.gz ODUQFBSAEMJZKJ-CYBMUJFWSA-N 2 2 251.330 0.708 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cc(C3CC3)no2)C1 ZINC000639049336 375547883 /nfs/dbraw/zinc/54/78/83/375547883.db2.gz ODUQFBSAEMJZKJ-CYBMUJFWSA-N 2 2 251.330 0.708 20 0 CCADLP [NH3+]CC12CCC(CC1)CN2CC[NH+]1CCOCC1 ZINC000568768170 291622290 /nfs/dbraw/zinc/62/22/90/291622290.db2.gz IIGIBGTZAXTGRR-UHFFFAOYSA-N 2 2 253.390 0.522 20 0 CCADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cnc(N)nc2N)C1 ZINC000639177761 375620720 /nfs/dbraw/zinc/62/07/20/375620720.db2.gz FZPAKFVDWXYDIU-PWSUYJOCSA-N 2 2 276.388 0.218 20 0 CCADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cnc(N)nc2N)C1 ZINC000639177761 375620729 /nfs/dbraw/zinc/62/07/29/375620729.db2.gz FZPAKFVDWXYDIU-PWSUYJOCSA-N 2 2 276.388 0.218 20 0 CCADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cnc(N)nc2N)C1 ZINC000639177761 375620734 /nfs/dbraw/zinc/62/07/34/375620734.db2.gz FZPAKFVDWXYDIU-PWSUYJOCSA-N 2 2 276.388 0.218 20 0 CCADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cnc(N)nc2N)C1 ZINC000639177761 375620741 /nfs/dbraw/zinc/62/07/41/375620741.db2.gz FZPAKFVDWXYDIU-PWSUYJOCSA-N 2 2 276.388 0.218 20 0 CCADLP CO[C@H](C[NH2+]C[C@H]1CCC[N@@H+]1CCCO)[C@@H]1CCOC1 ZINC000639217634 375639455 /nfs/dbraw/zinc/63/94/55/375639455.db2.gz INDDITYVJVALRV-RBSFLKMASA-N 2 2 286.416 0.474 20 0 CCADLP CO[C@H](C[NH2+]C[C@H]1CCC[N@H+]1CCCO)[C@@H]1CCOC1 ZINC000639217634 375639460 /nfs/dbraw/zinc/63/94/60/375639460.db2.gz INDDITYVJVALRV-RBSFLKMASA-N 2 2 286.416 0.474 20 0 CCADLP CO[C@]1(C[NH2+]C[C@@H]2CCC[N@@H+]2CCCO)CCOC1 ZINC000639219020 375641082 /nfs/dbraw/zinc/64/10/82/375641082.db2.gz RGUAQRYODYQTEL-KBPBESRZSA-N 2 2 272.389 0.228 20 0 CCADLP CO[C@]1(C[NH2+]C[C@@H]2CCC[N@H+]2CCCO)CCOC1 ZINC000639219020 375641086 /nfs/dbraw/zinc/64/10/86/375641086.db2.gz RGUAQRYODYQTEL-KBPBESRZSA-N 2 2 272.389 0.228 20 0 CCADLP O=C1C[C@@H]([NH2+]C[C@@H]2CCCC[N@H+]2CCO)CCCN1 ZINC000639219376 375643543 /nfs/dbraw/zinc/64/35/43/375643543.db2.gz QHZWIQXJINTPHU-STQMWFEESA-N 2 2 269.389 0.092 20 0 CCADLP O=C1C[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)CCCN1 ZINC000639219376 375643548 /nfs/dbraw/zinc/64/35/48/375643548.db2.gz QHZWIQXJINTPHU-STQMWFEESA-N 2 2 269.389 0.092 20 0 CCADLP O=c1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)c[nH]1 ZINC000639331823 375730522 /nfs/dbraw/zinc/73/05/22/375730522.db2.gz ZVFQEABJIXMKLH-AWEZNQCLSA-N 2 2 277.368 0.818 20 0 CCADLP O=c1ccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)c[nH]1 ZINC000639331823 375730524 /nfs/dbraw/zinc/73/05/24/375730524.db2.gz ZVFQEABJIXMKLH-AWEZNQCLSA-N 2 2 277.368 0.818 20 0 CCADLP c1nc2n(n1)[C@H](C[N@@H+]1CC[C@@H](C[NH+]3CCOCC3)C1)CC2 ZINC000639496892 375810297 /nfs/dbraw/zinc/81/02/97/375810297.db2.gz IJECAYRJUDAEIQ-KBPBESRZSA-N 2 2 291.399 0.420 20 0 CCADLP c1nc2n(n1)[C@H](C[N@H+]1CC[C@@H](C[NH+]3CCOCC3)C1)CC2 ZINC000639496892 375810302 /nfs/dbraw/zinc/81/03/02/375810302.db2.gz IJECAYRJUDAEIQ-KBPBESRZSA-N 2 2 291.399 0.420 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000639515466 375818291 /nfs/dbraw/zinc/81/82/91/375818291.db2.gz LFBWROZWKYJCBX-KGLIPLIRSA-N 2 2 265.357 0.842 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000639515466 375818294 /nfs/dbraw/zinc/81/82/94/375818294.db2.gz LFBWROZWKYJCBX-KGLIPLIRSA-N 2 2 265.357 0.842 20 0 CCADLP C[C@@H]1OCC[C@@H]1C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000639543437 375829081 /nfs/dbraw/zinc/82/90/81/375829081.db2.gz GOIXMFIWNJVMBM-QWHCGFSZSA-N 2 2 264.373 0.967 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000639552682 375832910 /nfs/dbraw/zinc/83/29/10/375832910.db2.gz FVIBZKPMYFLRLX-GXTWGEPZSA-N 2 2 276.384 0.953 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000639552682 375832915 /nfs/dbraw/zinc/83/29/15/375832915.db2.gz FVIBZKPMYFLRLX-GXTWGEPZSA-N 2 2 276.384 0.953 20 0 CCADLP CN(C)c1ncc(C[N@H+](C)CCc2c[nH+]cn2C)cn1 ZINC000639574918 375841182 /nfs/dbraw/zinc/84/11/82/375841182.db2.gz XHDIWJMRSRBKLB-UHFFFAOYSA-N 2 2 274.372 0.951 20 0 CCADLP CN(C)c1ncc(C[N@@H+](C)CCc2c[nH+]cn2C)cn1 ZINC000639574918 375841185 /nfs/dbraw/zinc/84/11/85/375841185.db2.gz XHDIWJMRSRBKLB-UHFFFAOYSA-N 2 2 274.372 0.951 20 0 CCADLP Cc1nc(CC[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C)no1 ZINC000656697071 412841575 /nfs/dbraw/zinc/84/15/75/412841575.db2.gz OTEUWBLWWSYBIP-LBPRGKRZSA-N 2 2 270.377 0.553 20 0 CCADLP Cc1nc(CC[NH+](C)C[C@H](O)C[N@H+](C)C(C)C)no1 ZINC000656697071 412841577 /nfs/dbraw/zinc/84/15/77/412841577.db2.gz OTEUWBLWWSYBIP-LBPRGKRZSA-N 2 2 270.377 0.553 20 0 CCADLP Cc1nc(CC[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C)no1 ZINC000656697071 412841579 /nfs/dbraw/zinc/84/15/79/412841579.db2.gz OTEUWBLWWSYBIP-LBPRGKRZSA-N 2 2 270.377 0.553 20 0 CCADLP Cc1nc(CC[N@H+](C)C[C@H](O)C[NH+](C)C(C)C)no1 ZINC000656697071 412841580 /nfs/dbraw/zinc/84/15/80/412841580.db2.gz OTEUWBLWWSYBIP-LBPRGKRZSA-N 2 2 270.377 0.553 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC([C@H]2CCOC2)C1 ZINC000656698728 412841999 /nfs/dbraw/zinc/84/19/99/412841999.db2.gz CITDBUVOUSXWTO-JSGCOSHPSA-N 2 2 256.390 0.656 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC([C@H]2CCOC2)C1 ZINC000656698728 412842002 /nfs/dbraw/zinc/84/20/02/412842002.db2.gz CITDBUVOUSXWTO-JSGCOSHPSA-N 2 2 256.390 0.656 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000639648423 375886562 /nfs/dbraw/zinc/88/65/62/375886562.db2.gz ZRZPTNIMCCUEEY-JTQLQIEISA-N 2 2 276.344 0.666 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000639648423 375886570 /nfs/dbraw/zinc/88/65/70/375886570.db2.gz ZRZPTNIMCCUEEY-JTQLQIEISA-N 2 2 276.344 0.666 20 0 CCADLP CN(C)C(=O)N[C@@H]1CCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000639668153 375900039 /nfs/dbraw/zinc/90/00/39/375900039.db2.gz MIIPMBRMLVMEJS-GFCCVEGCSA-N 2 2 279.388 0.698 20 0 CCADLP CN(C)C(=O)N[C@@H]1CCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000639668153 375900044 /nfs/dbraw/zinc/90/00/44/375900044.db2.gz MIIPMBRMLVMEJS-GFCCVEGCSA-N 2 2 279.388 0.698 20 0 CCADLP Cc1cc(C)c(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)c(C)[nH+]1 ZINC000639670245 375902067 /nfs/dbraw/zinc/90/20/67/375902067.db2.gz DIBNORHCYPOAFD-OCCSQVGLSA-N 2 2 250.342 0.792 20 0 CCADLP Cc1cc(C)c(C[N@H+]2C[C@H](O)[C@@H](CO)C2)c(C)[nH+]1 ZINC000639670245 375902071 /nfs/dbraw/zinc/90/20/71/375902071.db2.gz DIBNORHCYPOAFD-OCCSQVGLSA-N 2 2 250.342 0.792 20 0 CCADLP COCC(COC)[NH+]1CCN(CCc2c[nH+]cn2C)CC1 ZINC000639674019 375907463 /nfs/dbraw/zinc/90/74/63/375907463.db2.gz WBXNTYXNLALDOC-UHFFFAOYSA-N 2 2 296.415 0.242 20 0 CCADLP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639768462 375999284 /nfs/dbraw/zinc/99/92/84/375999284.db2.gz YZAFXOVICUZMOS-WFASDCNBSA-N 2 2 285.432 0.678 20 0 CCADLP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639768462 375999291 /nfs/dbraw/zinc/99/92/91/375999291.db2.gz YZAFXOVICUZMOS-WFASDCNBSA-N 2 2 285.432 0.678 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+]([C@H]2CCN(C(C)(C)C)C2=O)C1 ZINC000639760823 375985814 /nfs/dbraw/zinc/98/58/14/375985814.db2.gz BBFMUTQNAZIZAV-BBRMVZONSA-N 2 2 297.443 0.774 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+]([C@H]2CCN(C(C)(C)C)C2=O)C1 ZINC000639760823 375985816 /nfs/dbraw/zinc/98/58/16/375985816.db2.gz BBFMUTQNAZIZAV-BBRMVZONSA-N 2 2 297.443 0.774 20 0 CCADLP CC(C)N1CCC[C@@H]([N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)C1=O ZINC000639761896 375986912 /nfs/dbraw/zinc/98/69/12/375986912.db2.gz PBCRDOXDRXSSDR-GDBMZVCRSA-N 2 2 297.443 0.774 20 0 CCADLP CC(C)N1CCC[C@@H]([N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)C1=O ZINC000639761896 375986918 /nfs/dbraw/zinc/98/69/18/375986918.db2.gz PBCRDOXDRXSSDR-GDBMZVCRSA-N 2 2 297.443 0.774 20 0 CCADLP Cc1cnn(CC[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000639761790 375987058 /nfs/dbraw/zinc/98/70/58/375987058.db2.gz DYXSTYVZLZXBGZ-AWEZNQCLSA-N 2 2 266.389 0.580 20 0 CCADLP Cc1cnn(CC[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000639761790 375987067 /nfs/dbraw/zinc/98/70/67/375987067.db2.gz DYXSTYVZLZXBGZ-AWEZNQCLSA-N 2 2 266.389 0.580 20 0 CCADLP Cn1c[nH+]cc1CN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762295 375987601 /nfs/dbraw/zinc/98/76/01/375987601.db2.gz RDFAUKHCTFMOHZ-CYBMUJFWSA-N 2 2 252.362 0.309 20 0 CCADLP Cc1cncc(CC[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)n1 ZINC000639762795 375991354 /nfs/dbraw/zinc/99/13/54/375991354.db2.gz NRUXLQSPYQKKLS-OAHLLOKOSA-N 2 2 278.400 0.716 20 0 CCADLP Cc1cncc(CC[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)n1 ZINC000639762795 375991361 /nfs/dbraw/zinc/99/13/61/375991361.db2.gz NRUXLQSPYQKKLS-OAHLLOKOSA-N 2 2 278.400 0.716 20 0 CCADLP C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)[C@H](CO)C1 ZINC000639938047 376136317 /nfs/dbraw/zinc/13/63/17/376136317.db2.gz KXEIVEUOOWYDAL-XBFCOCLRSA-N 2 2 256.390 0.534 20 0 CCADLP C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)[C@H](CO)C1 ZINC000639938047 376136322 /nfs/dbraw/zinc/13/63/22/376136322.db2.gz KXEIVEUOOWYDAL-XBFCOCLRSA-N 2 2 256.390 0.534 20 0 CCADLP C[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)[C@H](CO)C1 ZINC000639938047 376136328 /nfs/dbraw/zinc/13/63/28/376136328.db2.gz KXEIVEUOOWYDAL-XBFCOCLRSA-N 2 2 256.390 0.534 20 0 CCADLP C[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)[C@H](CO)C1 ZINC000639938047 376136333 /nfs/dbraw/zinc/13/63/33/376136333.db2.gz KXEIVEUOOWYDAL-XBFCOCLRSA-N 2 2 256.390 0.534 20 0 CCADLP C[C@@]12C[NH+](CCCn3cc[nH+]c3)C[C@@]1(C)C(=O)NC2=O ZINC000639949977 376146929 /nfs/dbraw/zinc/14/69/29/376146929.db2.gz PRDALVUNYFWTEH-KBPBESRZSA-N 2 2 276.340 0.258 20 0 CCADLP CC1([NH+]2CCCC2)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000639982143 376167771 /nfs/dbraw/zinc/16/77/71/376167771.db2.gz HNTWDPBJOLVZME-GFCCVEGCSA-N 2 2 251.374 0.825 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(C)(F)CC1 ZINC000640071699 376225762 /nfs/dbraw/zinc/22/57/62/376225762.db2.gz RBVOQWFQOMIIMG-LBPRGKRZSA-N 2 2 262.369 0.750 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C)(F)CC1 ZINC000640071699 376225766 /nfs/dbraw/zinc/22/57/66/376225766.db2.gz RBVOQWFQOMIIMG-LBPRGKRZSA-N 2 2 262.369 0.750 20 0 CCADLP O=C(N[C@H](CO)C[NH+]1CCCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC000640320031 376308619 /nfs/dbraw/zinc/30/86/19/376308619.db2.gz JJRDSWGMQGBMHR-STQMWFEESA-N 2 2 292.383 0.018 20 0 CCADLP COc1cc[nH+]c(Cn2cc(COCC[NH3+])nn2)c1 ZINC000641030828 376686819 /nfs/dbraw/zinc/68/68/19/376686819.db2.gz LMLQRLCHUNRGGA-UHFFFAOYSA-N 2 2 263.301 0.205 20 0 CCADLP CC[NH+](CC)CCNC(=O)NCCCn1cc[nH+]c1 ZINC000077826637 284589559 /nfs/dbraw/zinc/58/95/59/284589559.db2.gz DKHVCSNKHYOADW-UHFFFAOYSA-N 2 2 267.377 0.914 20 0 CCADLP CC[N@@H+]1CCCN(S(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000641318279 376991288 /nfs/dbraw/zinc/99/12/88/376991288.db2.gz IMLZOFKTKNPYMS-UHFFFAOYSA-N 2 2 286.401 0.241 20 0 CCADLP CC[N@H+]1CCCN(S(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000641318279 376991292 /nfs/dbraw/zinc/99/12/92/376991292.db2.gz IMLZOFKTKNPYMS-UHFFFAOYSA-N 2 2 286.401 0.241 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641394192 377066062 /nfs/dbraw/zinc/06/60/62/377066062.db2.gz FWVHZHWXBIIQON-WCQYABFASA-N 2 2 298.412 0.285 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)CCn1cc[nH+]c1 ZINC000641394192 377066067 /nfs/dbraw/zinc/06/60/67/377066067.db2.gz FWVHZHWXBIIQON-WCQYABFASA-N 2 2 298.412 0.285 20 0 CCADLP C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC000641415276 377091284 /nfs/dbraw/zinc/09/12/84/377091284.db2.gz PWAKWSUHTDMQEK-CHWSQXEVSA-N 2 2 298.412 0.239 20 0 CCADLP C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC000641415276 377091289 /nfs/dbraw/zinc/09/12/89/377091289.db2.gz PWAKWSUHTDMQEK-CHWSQXEVSA-N 2 2 298.412 0.239 20 0 CCADLP O=S(=O)(CCn1cc[nH+]c1)NCC[N@H+]1CC=CCC1 ZINC000641469072 377151965 /nfs/dbraw/zinc/15/19/65/377151965.db2.gz HOSSNYOPHHGYPA-UHFFFAOYSA-N 2 2 284.385 0.064 20 0 CCADLP O=S(=O)(CCn1cc[nH+]c1)NCC[N@@H+]1CC=CCC1 ZINC000641469072 377151972 /nfs/dbraw/zinc/15/19/72/377151972.db2.gz HOSSNYOPHHGYPA-UHFFFAOYSA-N 2 2 284.385 0.064 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCCS(=O)(=O)N(C)C)[C@@H]1C ZINC000641804890 377476027 /nfs/dbraw/zinc/47/60/27/377476027.db2.gz CXJGRUWZPATYRF-JHJVBQTASA-N 2 2 291.461 0.716 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCCS(=O)(=O)N(C)C)[C@@H]1C ZINC000641804890 377476034 /nfs/dbraw/zinc/47/60/34/377476034.db2.gz CXJGRUWZPATYRF-JHJVBQTASA-N 2 2 291.461 0.716 20 0 CCADLP CCS(=O)(=O)NCCC[N@@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000641809570 377481625 /nfs/dbraw/zinc/48/16/25/377481625.db2.gz RKZKMTHQXYUZPS-AGIUHOORSA-N 2 2 291.461 0.764 20 0 CCADLP CCS(=O)(=O)NCCC[N@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000641809570 377481636 /nfs/dbraw/zinc/48/16/36/377481636.db2.gz RKZKMTHQXYUZPS-AGIUHOORSA-N 2 2 291.461 0.764 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@@H](CC)[NH+]1CCCC1 ZINC000422967080 249012161 /nfs/dbraw/zinc/01/21/61/249012161.db2.gz SFMODGMBQSUTBU-HZSPNIEDSA-N 2 2 283.416 0.744 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000423671898 249012997 /nfs/dbraw/zinc/01/29/97/249012997.db2.gz CVBGTBKUTLMPRB-ZJUUUORDSA-N 2 2 259.313 0.733 20 0 CCADLP CN(C)c1ncc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000427132865 249016868 /nfs/dbraw/zinc/01/68/68/249016868.db2.gz HYUDIVUDCPLUOA-STQMWFEESA-N 2 2 261.373 0.726 20 0 CCADLP CN(C)c1ncc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cn1 ZINC000427132865 249016870 /nfs/dbraw/zinc/01/68/70/249016870.db2.gz HYUDIVUDCPLUOA-STQMWFEESA-N 2 2 261.373 0.726 20 0 CCADLP C[NH+](C)C/C=C\C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000492761673 249083640 /nfs/dbraw/zinc/08/36/40/249083640.db2.gz FZMWDVNKSPEZMP-VQTKUKTRSA-N 2 2 274.368 0.672 20 0 CCADLP CC[NH2+]CCCNC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000515223652 249123903 /nfs/dbraw/zinc/12/39/03/249123903.db2.gz XVSGQKHFOVLOBM-BETUJISGSA-N 2 2 284.404 0.148 20 0 CCADLP CC[NH2+]CCCNC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000515223652 249123904 /nfs/dbraw/zinc/12/39/04/249123904.db2.gz XVSGQKHFOVLOBM-BETUJISGSA-N 2 2 284.404 0.148 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)n1C ZINC000514598439 249092113 /nfs/dbraw/zinc/09/21/13/249092113.db2.gz UISCILGLUHYZDA-YPMHNXCESA-N 2 2 282.388 0.363 20 0 CCADLP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000516273926 249157707 /nfs/dbraw/zinc/15/77/07/249157707.db2.gz BGHRPJJZVCDSHO-ZGKBOVNRSA-N 3 2 267.417 0.861 20 0 CCADLP C[C@@H](C(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1)[NH+]1CCOCC1 ZINC000515354897 249130015 /nfs/dbraw/zinc/13/00/15/249130015.db2.gz MFWSVMQXCPOVJO-RWMBFGLXSA-N 2 2 269.389 0.116 20 0 CCADLP COc1cc2c(cc1C[N@H+](C)C[C@H](O)C[NH3+])O[C@H](C)C2 ZINC000516957984 249193225 /nfs/dbraw/zinc/19/32/25/249193225.db2.gz ORPLWIJVGMOHTF-ZWNOBZJWSA-N 2 2 280.368 0.770 20 0 CCADLP COc1cc2c(cc1C[N@@H+](C)C[C@H](O)C[NH3+])O[C@H](C)C2 ZINC000516957984 249193227 /nfs/dbraw/zinc/19/32/27/249193227.db2.gz ORPLWIJVGMOHTF-ZWNOBZJWSA-N 2 2 280.368 0.770 20 0 CCADLP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000517377566 249217455 /nfs/dbraw/zinc/21/74/55/249217455.db2.gz KAKUDHHLVFOFMZ-ONGXEEELSA-N 2 2 268.386 0.601 20 0 CCADLP C[C@H]1NC(=O)N(CC[N@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)C1=O ZINC000517755182 249229563 /nfs/dbraw/zinc/22/95/63/249229563.db2.gz PWQPRHNBNHQCFJ-GRYCIOLGSA-N 2 2 280.372 0.095 20 0 CCADLP C[C@H]1NC(=O)N(CC[N@@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)C1=O ZINC000517755182 249229565 /nfs/dbraw/zinc/22/95/65/249229565.db2.gz PWQPRHNBNHQCFJ-GRYCIOLGSA-N 2 2 280.372 0.095 20 0 CCADLP C[C@H]1NC(=O)N(CC[NH+]2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)C1=O ZINC000517755182 249229568 /nfs/dbraw/zinc/22/95/68/249229568.db2.gz PWQPRHNBNHQCFJ-GRYCIOLGSA-N 2 2 280.372 0.095 20 0 CCADLP C[C@H]1NC(=O)N(CC[NH+]2[C@@H]3CC[C@H]2CC[N@H+](C)C3)C1=O ZINC000517755182 249229571 /nfs/dbraw/zinc/22/95/71/249229571.db2.gz PWQPRHNBNHQCFJ-GRYCIOLGSA-N 2 2 280.372 0.095 20 0 CCADLP Cc1cc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])ccn1 ZINC000517901717 249233336 /nfs/dbraw/zinc/23/33/36/249233336.db2.gz FFWPDKZBIXNVKQ-CYBMUJFWSA-N 2 2 277.372 0.174 20 0 CCADLP Cc1cc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])ccn1 ZINC000517901717 249233338 /nfs/dbraw/zinc/23/33/38/249233338.db2.gz FFWPDKZBIXNVKQ-CYBMUJFWSA-N 2 2 277.372 0.174 20 0 CCADLP Cc1[nH+]c(-c2ccncc2)nc(NC2C[NH2+]C2)c1C ZINC000643006010 377686581 /nfs/dbraw/zinc/68/65/81/377686581.db2.gz BDYMHGIKABHDEN-UHFFFAOYSA-N 2 2 255.325 0.961 20 0 CCADLP Cc1nc(F)ccc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000278548084 194036847 /nfs/dbraw/zinc/03/68/47/194036847.db2.gz UPYIQAMAFQZHDT-ZDUSSCGKSA-N 2 2 294.374 0.959 20 0 CCADLP C[NH2+]C[C@@](C)(O)CN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000569817270 291711491 /nfs/dbraw/zinc/71/14/91/291711491.db2.gz IAPBSAKSCZWDGN-MRXNPFEDSA-N 2 2 293.411 0.480 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000279006418 194249421 /nfs/dbraw/zinc/24/94/21/194249421.db2.gz MVLICTJNRHDMSN-WDEREUQCSA-N 2 2 288.355 0.502 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCOC(C)(C)C2)[C@@H](C[NH3+])C1 ZINC000574742066 335043766 /nfs/dbraw/zinc/04/37/66/335043766.db2.gz PIGZUKVUSBVSCI-RYUDHWBXSA-N 2 2 284.404 0.228 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@H]2CCOC(C)(C)C2)[C@@H](C[NH3+])C1 ZINC000574742066 335043768 /nfs/dbraw/zinc/04/37/68/335043768.db2.gz PIGZUKVUSBVSCI-RYUDHWBXSA-N 2 2 284.404 0.228 20 0 CCADLP C[C@@H]1CN(CC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000574756861 335045011 /nfs/dbraw/zinc/04/50/11/335045011.db2.gz FNLLNLMDNQYVBD-RDBSUJKOSA-N 2 2 253.390 0.248 20 0 CCADLP C[C@@H]1CN(CC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000574756861 335045013 /nfs/dbraw/zinc/04/50/13/335045013.db2.gz FNLLNLMDNQYVBD-RDBSUJKOSA-N 2 2 253.390 0.248 20 0 CCADLP C[C@@H]1CN(C(=O)NCCn2cc[nH+]c2)[C@@H](C)C[NH2+]1 ZINC000334909240 207276762 /nfs/dbraw/zinc/27/67/62/207276762.db2.gz MHGSQSHMVWVOOV-MNOVXSKESA-N 2 2 251.334 0.275 20 0 CCADLP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657309160 412957930 /nfs/dbraw/zinc/95/79/30/412957930.db2.gz AAQINNKBIGTUFJ-CQSZACIVSA-N 3 2 291.443 0.945 20 0 CCADLP C[C@@H](C[NH2+]Cc1nnn(C(C)(C)C)n1)N1CC[NH+](C)CC1 ZINC000657348832 412964115 /nfs/dbraw/zinc/96/41/15/412964115.db2.gz JAWWDRACIVTJSS-LBPRGKRZSA-N 2 2 295.435 0.154 20 0 CCADLP C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1csc(C[NH3+])n1 ZINC000237555080 284972423 /nfs/dbraw/zinc/97/24/23/284972423.db2.gz OORYHXHIWLFDTR-JTQLQIEISA-N 2 2 298.412 0.442 20 0 CCADLP COC1(C(=O)NC[C@H]2CC[NH2+]CC2(F)F)CC[NH2+]CC1 ZINC000424180906 532972069 /nfs/dbraw/zinc/97/20/69/532972069.db2.gz WROOSIURFGJCHM-SNVBAGLBSA-N 2 2 291.342 0.116 20 0 CCADLP C[NH2+][C@H](C)CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000423644779 532998651 /nfs/dbraw/zinc/99/86/51/532998651.db2.gz YGJPKZPXXVZHKI-SNVBAGLBSA-N 2 2 259.313 0.605 20 0 CCADLP CCOCCNC(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000247045848 285041196 /nfs/dbraw/zinc/04/11/96/285041196.db2.gz VABXIQAYIPQGOZ-UONOGXRCSA-N 2 2 285.432 0.801 20 0 CCADLP CCOCCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000247045848 285041201 /nfs/dbraw/zinc/04/12/01/285041201.db2.gz VABXIQAYIPQGOZ-UONOGXRCSA-N 2 2 285.432 0.801 20 0 CCADLP CCOCCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000247045848 285041204 /nfs/dbraw/zinc/04/12/04/285041204.db2.gz VABXIQAYIPQGOZ-UONOGXRCSA-N 2 2 285.432 0.801 20 0 CCADLP CCOCCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000247045848 285041207 /nfs/dbraw/zinc/04/12/07/285041207.db2.gz VABXIQAYIPQGOZ-UONOGXRCSA-N 2 2 285.432 0.801 20 0 CCADLP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000449118168 533009648 /nfs/dbraw/zinc/00/96/48/533009648.db2.gz RIMDRDLXGHSDHW-QWHCGFSZSA-N 2 2 285.432 0.848 20 0 CCADLP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000449118168 533009656 /nfs/dbraw/zinc/00/96/56/533009656.db2.gz RIMDRDLXGHSDHW-QWHCGFSZSA-N 2 2 285.432 0.848 20 0 CCADLP COCCNC(=O)[C@@H](CC(C)C)[NH2+]Cc1c[nH+]cn1C ZINC000339504831 285068977 /nfs/dbraw/zinc/06/89/77/285068977.db2.gz YWRCKSOFDIOVBP-CYBMUJFWSA-N 2 2 282.388 0.687 20 0 CCADLP C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C[NH+]1CCOCC1 ZINC000572044943 291854868 /nfs/dbraw/zinc/85/48/68/291854868.db2.gz GCKKXVBJLSWANN-KBPBESRZSA-N 2 2 294.399 0.919 20 0 CCADLP C[N@H+]1CC=C(C[NH2+]Cc2nnn(C(C)(C)C)n2)CC1 ZINC000657428212 412987790 /nfs/dbraw/zinc/98/77/90/412987790.db2.gz ZFUNTNIVXHPNIY-UHFFFAOYSA-N 2 2 264.377 0.780 20 0 CCADLP C[N@@H+]1CC=C(C[NH2+]Cc2nnn(C(C)(C)C)n2)CC1 ZINC000657428212 412987797 /nfs/dbraw/zinc/98/77/97/412987797.db2.gz ZFUNTNIVXHPNIY-UHFFFAOYSA-N 2 2 264.377 0.780 20 0 CCADLP CCn1cc[nH+]c1CN1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000249525991 285122469 /nfs/dbraw/zinc/12/24/69/285122469.db2.gz YHXSHBQSVZYUII-OLZOCXBDSA-N 2 2 266.389 0.790 20 0 CCADLP CCn1cc[nH+]c1CN1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000249525991 285122470 /nfs/dbraw/zinc/12/24/70/285122470.db2.gz YHXSHBQSVZYUII-OLZOCXBDSA-N 2 2 266.389 0.790 20 0 CCADLP COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657440036 412993968 /nfs/dbraw/zinc/99/39/68/412993968.db2.gz LFTCAUQIXDPPLI-KBPBESRZSA-N 2 2 295.383 0.739 20 0 CCADLP CO[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)CC[C@H]1C ZINC000251983159 285151064 /nfs/dbraw/zinc/15/10/64/285151064.db2.gz VMFNRVUEADYTOP-CHWSQXEVSA-N 2 2 269.389 0.117 20 0 CCADLP CO[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CC[C@H]1C ZINC000251983159 285151065 /nfs/dbraw/zinc/15/10/65/285151065.db2.gz VMFNRVUEADYTOP-CHWSQXEVSA-N 2 2 269.389 0.117 20 0 CCADLP COC(=O)C1CCC([NH2+]C[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000336841775 285182772 /nfs/dbraw/zinc/18/27/72/285182772.db2.gz SJRODSLIIUYXGC-RUXDESIVSA-N 2 2 283.416 0.554 20 0 CCADLP COC(=O)C1CCC([NH2+]C[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000336841775 285182773 /nfs/dbraw/zinc/18/27/73/285182773.db2.gz SJRODSLIIUYXGC-RUXDESIVSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337279461 285183324 /nfs/dbraw/zinc/18/33/24/285183324.db2.gz UGXRXLVBUXDFGV-GFCCVEGCSA-N 2 2 296.415 0.781 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337279461 285183325 /nfs/dbraw/zinc/18/33/25/285183325.db2.gz UGXRXLVBUXDFGV-GFCCVEGCSA-N 2 2 296.415 0.781 20 0 CCADLP CCCNC(=O)C[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361532618 285201624 /nfs/dbraw/zinc/20/16/24/285201624.db2.gz YOCWBBWIOXWLPY-UHFFFAOYSA-N 2 2 292.383 0.738 20 0 CCADLP CC[N@@H+]1CCN(C(=O)CCc2c[nH+]cn2C)[C@@H](C)C1 ZINC000288574877 197117058 /nfs/dbraw/zinc/11/70/58/197117058.db2.gz USTWYDDTWUAZBW-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP CC[N@H+]1CCN(C(=O)CCc2c[nH+]cn2C)[C@@H](C)C1 ZINC000288574877 197117060 /nfs/dbraw/zinc/11/70/60/197117060.db2.gz USTWYDDTWUAZBW-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CC(=O)NCC(F)(F)F)n1C ZINC000393688522 285211234 /nfs/dbraw/zinc/21/12/34/285211234.db2.gz FRWXQZCUNPCXKF-UHFFFAOYSA-N 2 2 293.293 0.254 20 0 CCADLP CC[N@@H+]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@@H](C)C1 ZINC000288465749 197085955 /nfs/dbraw/zinc/08/59/55/197085955.db2.gz OMQVFVOSTBWJDW-JTQLQIEISA-N 2 2 250.346 0.813 20 0 CCADLP CC[N@H+]1CCN(C(=O)Cc2[nH]c[nH+]c2C)[C@@H](C)C1 ZINC000288465749 197085956 /nfs/dbraw/zinc/08/59/56/197085956.db2.gz OMQVFVOSTBWJDW-JTQLQIEISA-N 2 2 250.346 0.813 20 0 CCADLP O=C(C[NH+]1CCCC1)N1CC[NH+](CC2(F)CC2)CC1 ZINC000525978330 285322841 /nfs/dbraw/zinc/32/28/41/285322841.db2.gz LMCUOXAXIRQVOH-UHFFFAOYSA-N 2 2 269.364 0.729 20 0 CCADLP [NH3+]CCC[NH+]1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000019688220 388793313 /nfs/dbraw/zinc/79/33/13/388793313.db2.gz FEDBTNRIENVJBT-UHFFFAOYSA-N 2 2 290.411 0.269 20 0 CCADLP CNC(=O)NC(=O)C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285806625 388799659 /nfs/dbraw/zinc/79/96/59/388799659.db2.gz VNTIDVZGUXTQTB-UHFFFAOYSA-N 2 2 296.371 0.489 20 0 CCADLP CNC(=O)NC(=O)C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285806625 388799662 /nfs/dbraw/zinc/79/96/62/388799662.db2.gz VNTIDVZGUXTQTB-UHFFFAOYSA-N 2 2 296.371 0.489 20 0 CCADLP CNC(=O)NC(=O)C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285806625 388799665 /nfs/dbraw/zinc/79/96/65/388799665.db2.gz VNTIDVZGUXTQTB-UHFFFAOYSA-N 2 2 296.371 0.489 20 0 CCADLP CNC(=O)NC(=O)C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285806625 388799669 /nfs/dbraw/zinc/79/96/69/388799669.db2.gz VNTIDVZGUXTQTB-UHFFFAOYSA-N 2 2 296.371 0.489 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](CCO)c2ccco2)CC1 ZINC000185072709 388784421 /nfs/dbraw/zinc/78/44/21/388784421.db2.gz GPURVYWJACIDHG-GFCCVEGCSA-N 2 2 281.356 0.067 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H]2c2cc[nH]n2)CC1 ZINC000286083445 388833031 /nfs/dbraw/zinc/83/30/31/388833031.db2.gz KFFDTXOGJOASKZ-AWEZNQCLSA-N 2 2 291.399 0.711 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H]2c2cc[nH]n2)CC1 ZINC000286083445 388833035 /nfs/dbraw/zinc/83/30/35/388833035.db2.gz KFFDTXOGJOASKZ-AWEZNQCLSA-N 2 2 291.399 0.711 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000186788743 388851501 /nfs/dbraw/zinc/85/15/01/388851501.db2.gz CEHRJTZEYYDXFR-ZIAGYGMSSA-N 2 2 283.416 0.386 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000186788743 388851507 /nfs/dbraw/zinc/85/15/07/388851507.db2.gz CEHRJTZEYYDXFR-ZIAGYGMSSA-N 2 2 283.416 0.386 20 0 CCADLP CCC[C@H]([NH3+])C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000040805224 388855330 /nfs/dbraw/zinc/85/53/30/388855330.db2.gz YRDNDWHHTMQMAO-NSHDSACASA-N 2 2 257.378 0.341 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000040805271 388855406 /nfs/dbraw/zinc/85/54/06/388855406.db2.gz DCERVFUXAVPGKM-AWEZNQCLSA-N 2 2 271.405 0.731 20 0 CCADLP CC(C)[C@H](CNC(=O)C(C)(C)[NH3+])[NH+]1CCN(C)CC1 ZINC000040924980 388859453 /nfs/dbraw/zinc/85/94/53/388859453.db2.gz OLZUIZLJDHXCEL-LBPRGKRZSA-N 2 2 270.421 0.112 20 0 CCADLP CC[C@@H](C(N)=O)[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000289293704 388868204 /nfs/dbraw/zinc/86/82/04/388868204.db2.gz HLIFKXIKXXVUIC-NEPJUHHUSA-N 2 2 292.383 0.865 20 0 CCADLP CC[C@@H](C(N)=O)[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000289293704 388868206 /nfs/dbraw/zinc/86/82/06/388868206.db2.gz HLIFKXIKXXVUIC-NEPJUHHUSA-N 2 2 292.383 0.865 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000289818911 388895353 /nfs/dbraw/zinc/89/53/53/388895353.db2.gz CTMMSABMZMKGNC-AWEZNQCLSA-N 2 2 288.351 0.521 20 0 CCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1CC[NH+]1CCOCC1 ZINC000336713160 389015428 /nfs/dbraw/zinc/01/54/28/389015428.db2.gz OYMYYQOARVDFKF-AWEZNQCLSA-N 2 2 255.406 0.591 20 0 CCADLP CO[C@]1(C)CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336793221 389019771 /nfs/dbraw/zinc/01/97/71/389019771.db2.gz VVDGYWYQJBWSNU-UONOGXRCSA-N 2 2 256.390 0.942 20 0 CCADLP CO[C@]1(C)CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000336793221 389019776 /nfs/dbraw/zinc/01/97/76/389019776.db2.gz VVDGYWYQJBWSNU-UONOGXRCSA-N 2 2 256.390 0.942 20 0 CCADLP CO[C@]1(C)CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000336793221 389019779 /nfs/dbraw/zinc/01/97/79/389019779.db2.gz VVDGYWYQJBWSNU-UONOGXRCSA-N 2 2 256.390 0.942 20 0 CCADLP CO[C@]1(C)CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336793221 389019782 /nfs/dbraw/zinc/01/97/82/389019782.db2.gz VVDGYWYQJBWSNU-UONOGXRCSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(CCn2cc[nH+]c2)[C@@H](C)C1 ZINC000192806240 389054600 /nfs/dbraw/zinc/05/46/00/389054600.db2.gz PSWWJJUBCICVLR-QWHCGFSZSA-N 2 2 252.362 0.270 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(CCn2cc[nH+]c2)[C@@H](C)C1 ZINC000192806240 389054601 /nfs/dbraw/zinc/05/46/01/389054601.db2.gz PSWWJJUBCICVLR-QWHCGFSZSA-N 2 2 252.362 0.270 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[NH+](C)[C@@H](C)[C@H]2C)CCO1 ZINC000337292257 389059301 /nfs/dbraw/zinc/05/93/01/389059301.db2.gz FPUACIGSSBRLLG-HZSPNIEDSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](C)[C@@H](C)[C@H]2C)CCO1 ZINC000337292257 389059302 /nfs/dbraw/zinc/05/93/02/389059302.db2.gz FPUACIGSSBRLLG-HZSPNIEDSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[N@H+](C)[C@@H](C)[C@H]2C)CCO1 ZINC000337292257 389059303 /nfs/dbraw/zinc/05/93/03/389059303.db2.gz FPUACIGSSBRLLG-HZSPNIEDSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[N@@H+](C)[C@@H](C)[C@H]2C)CCO1 ZINC000337292257 389059304 /nfs/dbraw/zinc/05/93/04/389059304.db2.gz FPUACIGSSBRLLG-HZSPNIEDSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000355404297 389073490 /nfs/dbraw/zinc/07/34/90/389073490.db2.gz RPQLIAWRDLXRQL-OLZOCXBDSA-N 2 2 284.404 0.053 20 0 CCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000355404297 389073492 /nfs/dbraw/zinc/07/34/92/389073492.db2.gz RPQLIAWRDLXRQL-OLZOCXBDSA-N 2 2 284.404 0.053 20 0 CCADLP C[C@@H]1CC[NH+](C)CCN1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000355404297 389073496 /nfs/dbraw/zinc/07/34/96/389073496.db2.gz RPQLIAWRDLXRQL-OLZOCXBDSA-N 2 2 284.404 0.053 20 0 CCADLP C[C@@H]1CC[NH+](C)CCN1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000355404297 389073498 /nfs/dbraw/zinc/07/34/98/389073498.db2.gz RPQLIAWRDLXRQL-OLZOCXBDSA-N 2 2 284.404 0.053 20 0 CCADLP C[NH+](C)C1(CNC(=O)C(C)(C)[NH+]2CCOCC2)CCC1 ZINC000338226054 389093723 /nfs/dbraw/zinc/09/37/23/389093723.db2.gz MBZBZWZOLYDNTA-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP CC(C)[N@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338152566 389080249 /nfs/dbraw/zinc/08/02/49/389080249.db2.gz AUNBOHPAYUMRAM-UHFFFAOYSA-N 2 2 285.432 0.944 20 0 CCADLP CC(C)[N@@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338152566 389080251 /nfs/dbraw/zinc/08/02/51/389080251.db2.gz AUNBOHPAYUMRAM-UHFFFAOYSA-N 2 2 285.432 0.944 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000194533159 389098230 /nfs/dbraw/zinc/09/82/30/389098230.db2.gz FYWPISMGJLYNMM-UHFFFAOYSA-N 2 2 295.427 0.651 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)CC(C)(C)O1 ZINC000311123437 389101579 /nfs/dbraw/zinc/10/15/79/389101579.db2.gz YEHOODVPILPTKG-DGCLKSJQSA-N 2 2 256.390 0.941 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)CC(C)(C)O1 ZINC000311123437 389101582 /nfs/dbraw/zinc/10/15/82/389101582.db2.gz YEHOODVPILPTKG-DGCLKSJQSA-N 2 2 256.390 0.941 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC(C)(C)O1 ZINC000311123437 389101585 /nfs/dbraw/zinc/10/15/85/389101585.db2.gz YEHOODVPILPTKG-DGCLKSJQSA-N 2 2 256.390 0.941 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC(C)(C)O1 ZINC000311123437 389101589 /nfs/dbraw/zinc/10/15/89/389101589.db2.gz YEHOODVPILPTKG-DGCLKSJQSA-N 2 2 256.390 0.941 20 0 CCADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)Nc3nccs3)C[C@@H]12 ZINC000311214418 389101603 /nfs/dbraw/zinc/10/16/03/389101603.db2.gz MLWKIIKGBQCHSN-OPRDCNLKSA-N 2 2 266.370 0.751 20 0 CCADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)Nc3nccs3)C[C@@H]12 ZINC000311214418 389101607 /nfs/dbraw/zinc/10/16/07/389101607.db2.gz MLWKIIKGBQCHSN-OPRDCNLKSA-N 2 2 266.370 0.751 20 0 CCADLP CCSCC[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000355719508 389114465 /nfs/dbraw/zinc/11/44/65/389114465.db2.gz HLGKEVOCAUJNGG-NSHDSACASA-N 2 2 259.419 0.669 20 0 CCADLP CCSCC[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000355719508 389114469 /nfs/dbraw/zinc/11/44/69/389114469.db2.gz HLGKEVOCAUJNGG-NSHDSACASA-N 2 2 259.419 0.669 20 0 CCADLP Cc1nc(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000338796841 389116647 /nfs/dbraw/zinc/11/66/47/389116647.db2.gz WMPGNZKSKDRSTC-AOOOYVTPSA-N 2 2 264.377 0.775 20 0 CCADLP Cc1nc(N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000338796841 389116649 /nfs/dbraw/zinc/11/66/49/389116649.db2.gz WMPGNZKSKDRSTC-AOOOYVTPSA-N 2 2 264.377 0.775 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000356132993 389120636 /nfs/dbraw/zinc/12/06/36/389120636.db2.gz PXMCUECRPISRPM-QWHCGFSZSA-N 2 2 295.387 0.292 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000356132993 389120639 /nfs/dbraw/zinc/12/06/39/389120639.db2.gz PXMCUECRPISRPM-QWHCGFSZSA-N 2 2 295.387 0.292 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCN2CCC(O)CC2)CC[N@@H+]1C ZINC000321418160 389122414 /nfs/dbraw/zinc/12/24/14/389122414.db2.gz VCAAEGKLKQBTAJ-CHWSQXEVSA-N 2 2 255.406 0.515 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCN2CCC(O)CC2)CC[N@H+]1C ZINC000321418160 389122418 /nfs/dbraw/zinc/12/24/18/389122418.db2.gz VCAAEGKLKQBTAJ-CHWSQXEVSA-N 2 2 255.406 0.515 20 0 CCADLP C[C@@H]1C[C@H](NCC[NH+]2CCC(O)CC2)CC[N@@H+]1C ZINC000321418160 389122421 /nfs/dbraw/zinc/12/24/21/389122421.db2.gz VCAAEGKLKQBTAJ-CHWSQXEVSA-N 2 2 255.406 0.515 20 0 CCADLP C[C@@H]1C[C@H](NCC[NH+]2CCC(O)CC2)CC[N@H+]1C ZINC000321418160 389122422 /nfs/dbraw/zinc/12/24/22/389122422.db2.gz VCAAEGKLKQBTAJ-CHWSQXEVSA-N 2 2 255.406 0.515 20 0 CCADLP COc1ccc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])cc1F ZINC000226614434 389148895 /nfs/dbraw/zinc/14/88/95/389148895.db2.gz IPHFWJAYFCLOHU-LBPRGKRZSA-N 2 2 267.348 0.909 20 0 CCADLP COc1ccc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1F ZINC000226614434 389148897 /nfs/dbraw/zinc/14/88/97/389148897.db2.gz IPHFWJAYFCLOHU-LBPRGKRZSA-N 2 2 267.348 0.909 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)CN1CC[NH+](C)CC1 ZINC000114379700 389130987 /nfs/dbraw/zinc/13/09/87/389130987.db2.gz PZLMCDRLBGXLCT-KBPBESRZSA-N 2 2 282.432 0.080 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)[C@@H](c2ccccc2)C1 ZINC000221722316 389140650 /nfs/dbraw/zinc/14/06/50/389140650.db2.gz RXKYVWVOBOWIHQ-HUUCEWRRSA-N 2 2 289.379 0.490 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@H]2C[NH2+]CCO2)[C@@H](c2ccccc2)C1 ZINC000221722316 389140651 /nfs/dbraw/zinc/14/06/51/389140651.db2.gz RXKYVWVOBOWIHQ-HUUCEWRRSA-N 2 2 289.379 0.490 20 0 CCADLP C[C@H](C[NH3+])N(C)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000237644844 389193294 /nfs/dbraw/zinc/19/32/94/389193294.db2.gz NTLCVHIUXSVENI-CYBMUJFWSA-N 2 2 291.395 0.938 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](CO)[C@H]2CCOC2)C1 ZINC000360771486 389204381 /nfs/dbraw/zinc/20/43/81/389204381.db2.gz INSVHJATSWSUJW-XDQVBPFNSA-N 2 2 256.390 0.561 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](CO)[C@H]2CCOC2)C1 ZINC000360771486 389204384 /nfs/dbraw/zinc/20/43/84/389204384.db2.gz INSVHJATSWSUJW-XDQVBPFNSA-N 2 2 256.390 0.561 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H](CO)[C@H]2CCOC2)C[N@@H+]1C1CC1 ZINC000360761277 389204508 /nfs/dbraw/zinc/20/45/08/389204508.db2.gz AQQVMOMRDCCPLO-RQJABVFESA-N 2 2 268.401 0.846 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H](CO)[C@H]2CCOC2)C[N@H+]1C1CC1 ZINC000360761277 389204513 /nfs/dbraw/zinc/20/45/13/389204513.db2.gz AQQVMOMRDCCPLO-RQJABVFESA-N 2 2 268.401 0.846 20 0 CCADLP C[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000235725863 389166978 /nfs/dbraw/zinc/16/69/78/389166978.db2.gz FVHMFPMSUZDVRW-SWLSCSKDSA-N 2 2 273.380 0.863 20 0 CCADLP C[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000235725863 389166979 /nfs/dbraw/zinc/16/69/79/389166979.db2.gz FVHMFPMSUZDVRW-SWLSCSKDSA-N 2 2 273.380 0.863 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)C[N@@H+]1C1CC1 ZINC000360818874 389204890 /nfs/dbraw/zinc/20/48/90/389204890.db2.gz PBCCSRRJEKJBOL-FXPVBKGRSA-N 2 2 273.327 0.725 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)C[N@H+]1C1CC1 ZINC000360818874 389204891 /nfs/dbraw/zinc/20/48/91/389204891.db2.gz PBCCSRRJEKJBOL-FXPVBKGRSA-N 2 2 273.327 0.725 20 0 CCADLP C[C@@H]1CC[C@@H](C[N@H+]2CCO[C@H](CN3CC[NH+](C)CC3)C2)O1 ZINC000364381137 389260712 /nfs/dbraw/zinc/26/07/12/389260712.db2.gz JDIHPFOBAMHAOX-OWCLPIDISA-N 2 2 297.443 0.502 20 0 CCADLP COCC[N@H+](CC[C@H]1CCC[NH+]1C)[C@H](C)C(N)=O ZINC000245748450 389217610 /nfs/dbraw/zinc/21/76/10/389217610.db2.gz YKPYEGYVAUMBKC-VXGBXAGGSA-N 2 2 257.378 0.293 20 0 CCADLP COCC[N@@H+](CC[C@H]1CCC[NH+]1C)[C@H](C)C(N)=O ZINC000245748450 389217614 /nfs/dbraw/zinc/21/76/14/389217614.db2.gz YKPYEGYVAUMBKC-VXGBXAGGSA-N 2 2 257.378 0.293 20 0 CCADLP COCC[NH+](CC[C@H]1CCC[N@@H+]1C)[C@H](C)C(N)=O ZINC000245748450 389217619 /nfs/dbraw/zinc/21/76/19/389217619.db2.gz YKPYEGYVAUMBKC-VXGBXAGGSA-N 2 2 257.378 0.293 20 0 CCADLP COCC[NH+](CC[C@H]1CCC[N@H+]1C)[C@H](C)C(N)=O ZINC000245748450 389217620 /nfs/dbraw/zinc/21/76/20/389217620.db2.gz YKPYEGYVAUMBKC-VXGBXAGGSA-N 2 2 257.378 0.293 20 0 CCADLP CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000245931225 389221177 /nfs/dbraw/zinc/22/11/77/389221177.db2.gz QGPUJKMSNXRIOO-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CC[C@H](C(=O)OC)[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000245931225 389221178 /nfs/dbraw/zinc/22/11/78/389221178.db2.gz QGPUJKMSNXRIOO-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@@H](C[N@H+](C)C[C@H]1CCC[NH+](C)C1)CS(C)(=O)=O ZINC000246425293 389228291 /nfs/dbraw/zinc/22/82/91/389228291.db2.gz CEYSJVVOBYNZAJ-STQMWFEESA-N 2 2 276.446 0.941 20 0 CCADLP C[C@@H](C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)CS(C)(=O)=O ZINC000246425293 389228295 /nfs/dbraw/zinc/22/82/95/389228295.db2.gz CEYSJVVOBYNZAJ-STQMWFEESA-N 2 2 276.446 0.941 20 0 CCADLP C[C@@H](C[NH+](C)C[C@H]1CCC[N@H+](C)C1)CS(C)(=O)=O ZINC000246425293 389228300 /nfs/dbraw/zinc/22/83/00/389228300.db2.gz CEYSJVVOBYNZAJ-STQMWFEESA-N 2 2 276.446 0.941 20 0 CCADLP C[C@@H](C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)CS(C)(=O)=O ZINC000246425293 389228302 /nfs/dbraw/zinc/22/83/02/389228302.db2.gz CEYSJVVOBYNZAJ-STQMWFEESA-N 2 2 276.446 0.941 20 0 CCADLP COCCN(CC[NH+](C)C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000362164336 389230710 /nfs/dbraw/zinc/23/07/10/389230710.db2.gz VHDYUBTZGCPZJM-ZDUSSCGKSA-N 2 2 294.399 0.482 20 0 CCADLP C[C@H]1CCC[N@H+](CC[NH2+]C2CCN(C(N)=O)CC2)C1 ZINC000343479553 389266521 /nfs/dbraw/zinc/26/65/21/389266521.db2.gz AWTOOTFNBLYHKK-LBPRGKRZSA-N 2 2 268.405 0.851 20 0 CCADLP C[C@H]1CCC[N@@H+](CC[NH2+]C2CCN(C(N)=O)CC2)C1 ZINC000343479553 389266522 /nfs/dbraw/zinc/26/65/22/389266522.db2.gz AWTOOTFNBLYHKK-LBPRGKRZSA-N 2 2 268.405 0.851 20 0 CCADLP CCOCCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000362711723 389240102 /nfs/dbraw/zinc/24/01/02/389240102.db2.gz RGPAVPKXXFZNFX-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP CCOCCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000362711723 389240104 /nfs/dbraw/zinc/24/01/04/389240104.db2.gz RGPAVPKXXFZNFX-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+](Cc2c(C)nn(C)c2OC)C1 ZINC000158495797 389343000 /nfs/dbraw/zinc/34/30/00/389343000.db2.gz KCVROUOVKRVVQO-LLVKDONJSA-N 2 2 252.362 0.778 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2c(C)nn(C)c2OC)C1 ZINC000158495797 389343005 /nfs/dbraw/zinc/34/30/05/389343005.db2.gz KCVROUOVKRVVQO-LLVKDONJSA-N 2 2 252.362 0.778 20 0 CCADLP COCCC[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000367029025 389313789 /nfs/dbraw/zinc/31/37/89/389313789.db2.gz LABFKMIFUGGEEF-HUUCEWRRSA-N 2 2 269.433 0.981 20 0 CCADLP COCCC[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000367029025 389313792 /nfs/dbraw/zinc/31/37/92/389313792.db2.gz LABFKMIFUGGEEF-HUUCEWRRSA-N 2 2 269.433 0.981 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000264313331 389320394 /nfs/dbraw/zinc/32/03/94/389320394.db2.gz QYEJHWZWVYKSLV-UHFFFAOYSA-N 2 2 295.387 0.165 20 0 CCADLP Cc1cc[nH+]cc1N1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000332147470 389343611 /nfs/dbraw/zinc/34/36/11/389343611.db2.gz NWENHCMLUSBEKT-UHFFFAOYSA-N 2 2 285.351 0.935 20 0 CCADLP C[NH+]1CCC([N@H+](CCO)Cc2cn3cccnc3n2)CC1 ZINC000264511587 389333354 /nfs/dbraw/zinc/33/33/54/389333354.db2.gz ZQBNESDLOYRIFB-UHFFFAOYSA-N 2 2 289.383 0.618 20 0 CCADLP C[NH+]1CCC([N@@H+](CCO)Cc2cn3cccnc3n2)CC1 ZINC000264511587 389333357 /nfs/dbraw/zinc/33/33/57/389333357.db2.gz ZQBNESDLOYRIFB-UHFFFAOYSA-N 2 2 289.383 0.618 20 0 CCADLP C[C@]1(C[N@@H+]2CCC[C@H](S(C)(=O)=O)C2)CC[NH2+]C1 ZINC000261543649 389271147 /nfs/dbraw/zinc/27/11/47/389271147.db2.gz DDHXSJATNFGDNP-RYUDHWBXSA-N 2 2 260.403 0.495 20 0 CCADLP C[C@]1(C[N@H+]2CCC[C@H](S(C)(=O)=O)C2)CC[NH2+]C1 ZINC000261543649 389271151 /nfs/dbraw/zinc/27/11/51/389271151.db2.gz DDHXSJATNFGDNP-RYUDHWBXSA-N 2 2 260.403 0.495 20 0 CCADLP CO[C@H](C[NH3+])C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000261636110 389273936 /nfs/dbraw/zinc/27/39/36/389273936.db2.gz HHKANGIMXFKWDZ-UONOGXRCSA-N 2 2 277.368 0.475 20 0 CCADLP CO[C@H](C[NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000261636110 389273941 /nfs/dbraw/zinc/27/39/41/389273941.db2.gz HHKANGIMXFKWDZ-UONOGXRCSA-N 2 2 277.368 0.475 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261927087 389279078 /nfs/dbraw/zinc/27/90/78/389279078.db2.gz ZKCQROYOASTVFJ-FZMZJTMJSA-N 2 2 284.404 0.527 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261927087 389279081 /nfs/dbraw/zinc/27/90/81/389279081.db2.gz ZKCQROYOASTVFJ-FZMZJTMJSA-N 2 2 284.404 0.527 20 0 CCADLP C1CC1[N@@H+]1CC[C@@H](N[C@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261971491 389279758 /nfs/dbraw/zinc/27/97/58/389279758.db2.gz QPQJDNIERBKBKD-SYAUCNOPSA-N 2 2 279.428 0.970 20 0 CCADLP C1CC1[N@H+]1CC[C@@H](N[C@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261971491 389279760 /nfs/dbraw/zinc/27/97/60/389279760.db2.gz QPQJDNIERBKBKD-SYAUCNOPSA-N 2 2 279.428 0.970 20 0 CCADLP C[C@H]1CN(C)C[C@H]1[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000344242635 389280282 /nfs/dbraw/zinc/28/02/82/389280282.db2.gz ZXQQVTLPFPDYFC-DZGCQCFKSA-N 2 2 296.459 0.469 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000348278605 389372394 /nfs/dbraw/zinc/37/23/94/389372394.db2.gz WMLZEKCBDZLKMC-QWHCGFSZSA-N 2 2 267.373 0.014 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000348278605 389372399 /nfs/dbraw/zinc/37/23/99/389372399.db2.gz WMLZEKCBDZLKMC-QWHCGFSZSA-N 2 2 267.373 0.014 20 0 CCADLP CC(C)[C@H](O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368268342 389374693 /nfs/dbraw/zinc/37/46/93/389374693.db2.gz WPIMJPYSNAXNCN-OCCSQVGLSA-N 2 2 283.416 0.288 20 0 CCADLP CC(C)[C@H](O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368268342 389374699 /nfs/dbraw/zinc/37/46/99/389374699.db2.gz WPIMJPYSNAXNCN-OCCSQVGLSA-N 2 2 283.416 0.288 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)CCCN1CC[NH+](C)CC1 ZINC000162301711 389417389 /nfs/dbraw/zinc/41/73/89/389417389.db2.gz MFYWZSMKKWCRPS-UHFFFAOYSA-N 3 2 279.432 0.843 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)CCCN1CC[NH+](C)CC1 ZINC000162301711 389417391 /nfs/dbraw/zinc/41/73/91/389417391.db2.gz MFYWZSMKKWCRPS-UHFFFAOYSA-N 3 2 279.432 0.843 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)N2CCn3cc[nH+]c3C2)CC[N@@H+]1C ZINC000332921650 389393590 /nfs/dbraw/zinc/39/35/90/389393590.db2.gz CLHXGLUYHGXOIY-RYUDHWBXSA-N 2 2 277.372 0.891 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)N2CCn3cc[nH+]c3C2)CC[N@H+]1C ZINC000332921650 389393591 /nfs/dbraw/zinc/39/35/91/389393591.db2.gz CLHXGLUYHGXOIY-RYUDHWBXSA-N 2 2 277.372 0.891 20 0 CCADLP C[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000332985727 389399604 /nfs/dbraw/zinc/39/96/04/389399604.db2.gz WJYSLGQCMGCGSN-RYUDHWBXSA-N 2 2 277.372 0.591 20 0 CCADLP C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1CCn1cc[nH+]c1 ZINC000370614064 389410302 /nfs/dbraw/zinc/41/03/02/389410302.db2.gz JYARBJYPHCFCBZ-KBPBESRZSA-N 2 2 264.373 0.678 20 0 CCADLP OC[C@H]1CCCCN1c1cc(N[C@H]2CC[NH2+]C2)nc[nH+]1 ZINC000333478685 389414749 /nfs/dbraw/zinc/41/47/49/389414749.db2.gz FIFZWOZOSHHHRV-NWDGAFQWSA-N 2 2 277.372 0.602 20 0 CCADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NCC3CC3)CC[C@@H]21 ZINC000158568242 389345824 /nfs/dbraw/zinc/34/58/24/389345824.db2.gz AKRPJPZHDYGMFB-KGLIPLIRSA-N 2 2 265.401 0.929 20 0 CCADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NCC3CC3)CC[C@@H]21 ZINC000158568242 389345827 /nfs/dbraw/zinc/34/58/27/389345827.db2.gz AKRPJPZHDYGMFB-KGLIPLIRSA-N 2 2 265.401 0.929 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NCC3CC3)CC[C@@H]21 ZINC000158568242 389345830 /nfs/dbraw/zinc/34/58/30/389345830.db2.gz AKRPJPZHDYGMFB-KGLIPLIRSA-N 2 2 265.401 0.929 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NCC3CC3)CC[C@@H]21 ZINC000158568242 389345832 /nfs/dbraw/zinc/34/58/32/389345832.db2.gz AKRPJPZHDYGMFB-KGLIPLIRSA-N 2 2 265.401 0.929 20 0 CCADLP CC(C)N(CC[NH+](C)C)C(=O)NCC[NH+]1CCOCC1 ZINC000158895494 389354118 /nfs/dbraw/zinc/35/41/18/389354118.db2.gz VWNUHKKUHRIPQI-UHFFFAOYSA-N 2 2 286.420 0.300 20 0 CCADLP C[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000332557613 389354886 /nfs/dbraw/zinc/35/48/86/389354886.db2.gz MEOIXTUSCURVLB-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP C[N@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCOC(C)(C)C1 ZINC000332557613 389354891 /nfs/dbraw/zinc/35/48/91/389354891.db2.gz MEOIXTUSCURVLB-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+]1CCC[C@H]1CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000332557613 389354893 /nfs/dbraw/zinc/35/48/93/389354893.db2.gz MEOIXTUSCURVLB-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+]1CCC[C@H]1CNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000332557613 389354896 /nfs/dbraw/zinc/35/48/96/389354896.db2.gz MEOIXTUSCURVLB-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCN2CCSCC2)C1 ZINC000347756385 389357579 /nfs/dbraw/zinc/35/75/79/389357579.db2.gz ULFNGPYPJUQKAX-CHWSQXEVSA-N 2 2 257.447 0.965 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCN2CCSCC2)C1 ZINC000347756385 389357584 /nfs/dbraw/zinc/35/75/84/389357584.db2.gz ULFNGPYPJUQKAX-CHWSQXEVSA-N 2 2 257.447 0.965 20 0 CCADLP [NH3+]CC1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000422730286 389461302 /nfs/dbraw/zinc/46/13/02/389461302.db2.gz LWWPMFQXMWQRTL-HNNXBMFYSA-N 2 2 295.427 0.827 20 0 CCADLP [NH3+]CC1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000422730286 389461306 /nfs/dbraw/zinc/46/13/06/389461306.db2.gz LWWPMFQXMWQRTL-HNNXBMFYSA-N 2 2 295.427 0.827 20 0 CCADLP CNS(=O)(=O)c1cccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])c1 ZINC000422731008 389461424 /nfs/dbraw/zinc/46/14/24/389461424.db2.gz GCHLCUMHMJGYSO-OLZOCXBDSA-N 2 2 283.397 0.564 20 0 CCADLP C[NH2+]CCCNC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000422737549 389462511 /nfs/dbraw/zinc/46/25/11/389462511.db2.gz ZTVWIOURVFWIIV-CYBMUJFWSA-N 2 2 269.389 0.213 20 0 CCADLP C[NH2+]CCCNC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000422737549 389462515 /nfs/dbraw/zinc/46/25/15/389462515.db2.gz ZTVWIOURVFWIIV-CYBMUJFWSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000422740138 389463390 /nfs/dbraw/zinc/46/33/90/389463390.db2.gz MMPLSVGWDHKDNU-HZSPNIEDSA-N 3 2 282.432 0.161 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000422740138 389463394 /nfs/dbraw/zinc/46/33/94/389463394.db2.gz MMPLSVGWDHKDNU-HZSPNIEDSA-N 3 2 282.432 0.161 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000272297066 389466092 /nfs/dbraw/zinc/46/60/92/389466092.db2.gz COABETFGAPVLMH-NEPJUHHUSA-N 2 2 277.372 0.656 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000272297066 389466098 /nfs/dbraw/zinc/46/60/98/389466098.db2.gz COABETFGAPVLMH-NEPJUHHUSA-N 2 2 277.372 0.656 20 0 CCADLP OC[C@H](C[NH2+][C@H]1CC[NH2+]C1)Cc1ccc(F)cc1 ZINC000422754950 389468198 /nfs/dbraw/zinc/46/81/98/389468198.db2.gz HFWWRKQJBQLTPH-JSGCOSHPSA-N 2 2 252.333 0.928 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000373256080 389468388 /nfs/dbraw/zinc/46/83/88/389468388.db2.gz AGJUZRFXSAXYBX-VXGBXAGGSA-N 2 2 275.418 0.224 20 0 CCADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000373256080 389468390 /nfs/dbraw/zinc/46/83/90/389468390.db2.gz AGJUZRFXSAXYBX-VXGBXAGGSA-N 2 2 275.418 0.224 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000373256080 389468394 /nfs/dbraw/zinc/46/83/94/389468394.db2.gz AGJUZRFXSAXYBX-VXGBXAGGSA-N 2 2 275.418 0.224 20 0 CCADLP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000373256080 389468395 /nfs/dbraw/zinc/46/83/95/389468395.db2.gz AGJUZRFXSAXYBX-VXGBXAGGSA-N 2 2 275.418 0.224 20 0 CCADLP C(C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)COC[C@H]1CCCO1 ZINC000422777217 389472540 /nfs/dbraw/zinc/47/25/40/389472540.db2.gz BRYOKAVQRUZTFG-OWCLPIDISA-N 2 2 298.427 0.929 20 0 CCADLP C[C@H](CC[NH3+])NC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000349985683 389473105 /nfs/dbraw/zinc/47/31/05/389473105.db2.gz GYMHTELCSRVZHV-CYBMUJFWSA-N 2 2 291.399 0.057 20 0 CCADLP C[NH+](C)CC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000171356129 389475130 /nfs/dbraw/zinc/47/51/30/389475130.db2.gz OCUXUQRPHLRSAU-GFCCVEGCSA-N 2 2 297.424 0.799 20 0 CCADLP C(C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)C[NH+]1CCCC1 ZINC000422787722 389475642 /nfs/dbraw/zinc/47/56/42/389475642.db2.gz QGBAVSJMQNKYLZ-GJZGRUSLSA-N 3 2 267.417 0.829 20 0 CCADLP CCCN(C(=O)C[N@H+](C)CC(=O)NC(C)C)[C@H]1CC[NH2+]C1 ZINC000422803783 389477648 /nfs/dbraw/zinc/47/76/48/389477648.db2.gz JIQGDGSXSLAUTG-ZDUSSCGKSA-N 2 2 298.431 0.043 20 0 CCADLP CCCN(C(=O)C[N@@H+](C)CC(=O)NC(C)C)[C@H]1CC[NH2+]C1 ZINC000422803783 389477651 /nfs/dbraw/zinc/47/76/51/389477651.db2.gz JIQGDGSXSLAUTG-ZDUSSCGKSA-N 2 2 298.431 0.043 20 0 CCADLP CC(C)[C@@H](C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1)N1CCOCC1 ZINC000422809863 389478799 /nfs/dbraw/zinc/47/87/99/389478799.db2.gz SNDHGMOONOVSON-OWCLPIDISA-N 2 2 299.459 0.700 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000333629366 389437864 /nfs/dbraw/zinc/43/78/64/389437864.db2.gz GHTSJIIQQWGLDY-LBPRGKRZSA-N 2 2 275.356 0.275 20 0 CCADLP C[C@@H](CNC(=O)[C@]1(F)CC[NH2+]C1)Cn1cc[nH+]c1 ZINC000165590252 389440074 /nfs/dbraw/zinc/44/00/74/389440074.db2.gz WESDUTWAJZENKU-JQWIXIFHSA-N 2 2 254.309 0.337 20 0 CCADLP CCOC(=O)[C@@](C)(O)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000372477186 389452048 /nfs/dbraw/zinc/45/20/48/389452048.db2.gz BCTXONFKXIUORM-AWEZNQCLSA-N 2 2 284.400 0.861 20 0 CCADLP CCOC(=O)[C@@](C)(O)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000372477186 389452052 /nfs/dbraw/zinc/45/20/52/389452052.db2.gz BCTXONFKXIUORM-AWEZNQCLSA-N 2 2 284.400 0.861 20 0 CCADLP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000422692216 389452328 /nfs/dbraw/zinc/45/23/28/389452328.db2.gz JTXZTNCKFPDVKK-BPLDGKMQSA-N 3 2 267.417 0.685 20 0 CCADLP CC[N@H+]1CC[C@H](C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000422692216 389452330 /nfs/dbraw/zinc/45/23/30/389452330.db2.gz JTXZTNCKFPDVKK-BPLDGKMQSA-N 3 2 267.417 0.685 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCN1CCOCC1(C)C ZINC000422704358 389454807 /nfs/dbraw/zinc/45/48/07/389454807.db2.gz KLOJXQCBJQXNCD-UONOGXRCSA-N 2 2 285.432 0.454 20 0 CCADLP COCCN1CCC[C@@H]1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422710415 389456685 /nfs/dbraw/zinc/45/66/85/389456685.db2.gz LFNMCFIGYAEEMW-PMPSAXMXSA-N 2 2 297.443 0.454 20 0 CCADLP CC(=O)N1CC[N@H+](CCCn2cc[nH+]c2)[C@H](C)C1 ZINC000272017927 389457222 /nfs/dbraw/zinc/45/72/22/389457222.db2.gz UXJGQYPIIXABSV-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP CC(=O)N1CC[N@@H+](CCCn2cc[nH+]c2)[C@H](C)C1 ZINC000272017927 389457224 /nfs/dbraw/zinc/45/72/24/389457224.db2.gz UXJGQYPIIXABSV-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1N[C@H](C)C[NH+](CC)CC ZINC000422719974 389459202 /nfs/dbraw/zinc/45/92/02/389459202.db2.gz RVMXLICVZBMJIG-JHJVBQTASA-N 2 2 271.405 0.600 20 0 CCADLP CCOC(=O)[C@H](CC)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174727460 389528519 /nfs/dbraw/zinc/52/85/19/389528519.db2.gz PYEXYCPJKLFPDY-AWEZNQCLSA-N 2 2 285.432 0.897 20 0 CCADLP CCOC(=O)[C@H](CC)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174727460 389528522 /nfs/dbraw/zinc/52/85/22/389528522.db2.gz PYEXYCPJKLFPDY-AWEZNQCLSA-N 2 2 285.432 0.897 20 0 CCADLP CCNC(=O)C1(C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)CCC1 ZINC000423083858 389531452 /nfs/dbraw/zinc/53/14/52/389531452.db2.gz ZHHHKUJNFHWHSU-QWHCGFSZSA-N 2 2 283.416 0.649 20 0 CCADLP NC(=O)NC(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000373969646 389532224 /nfs/dbraw/zinc/53/22/24/389532224.db2.gz GQKKAXSGBCJGIU-CYBMUJFWSA-N 2 2 296.415 0.769 20 0 CCADLP NC(=O)NC(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000373969646 389532226 /nfs/dbraw/zinc/53/22/26/389532226.db2.gz GQKKAXSGBCJGIU-CYBMUJFWSA-N 2 2 296.415 0.769 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000423093021 389533826 /nfs/dbraw/zinc/53/38/26/389533826.db2.gz FHKHNPIVEPNEAL-CVSAEHQPSA-N 2 2 295.427 0.887 20 0 CCADLP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000423093021 389533828 /nfs/dbraw/zinc/53/38/28/389533828.db2.gz FHKHNPIVEPNEAL-CVSAEHQPSA-N 2 2 295.427 0.887 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1CN[C@H]1CC[NH2+][C@H]1C(=O)OCC ZINC000423108846 389536203 /nfs/dbraw/zinc/53/62/03/389536203.db2.gz MTTHOZVWNIZNPP-MELADBBJSA-N 2 2 283.416 0.744 20 0 CCADLP CCC[N@H+]1CCC[C@H]1CN[C@H]1CC[NH2+][C@H]1C(=O)OCC ZINC000423108846 389536206 /nfs/dbraw/zinc/53/62/06/389536206.db2.gz MTTHOZVWNIZNPP-MELADBBJSA-N 2 2 283.416 0.744 20 0 CCADLP CCCC[N@H+](C)C[C@@H](C)N[C@@H]1CC[NH2+][C@H]1C(=O)OCC ZINC000423130438 389540001 /nfs/dbraw/zinc/54/00/01/389540001.db2.gz YIPABDBBCPRJGG-MGPQQGTHSA-N 2 2 285.432 0.990 20 0 CCADLP CCCC[N@@H+](C)C[C@@H](C)N[C@@H]1CC[NH2+][C@H]1C(=O)OCC ZINC000423130438 389540005 /nfs/dbraw/zinc/54/00/05/389540005.db2.gz YIPABDBBCPRJGG-MGPQQGTHSA-N 2 2 285.432 0.990 20 0 CCADLP CCC[C@H](C)C(=O)NCC[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423138192 389542005 /nfs/dbraw/zinc/54/20/05/389542005.db2.gz XJVCOEPNWFJCEP-BFHYXJOUSA-N 2 2 285.432 0.895 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](CC)[C@H]1CCCC[NH2+]1 ZINC000423161943 389547008 /nfs/dbraw/zinc/54/70/08/389547008.db2.gz SUNWUDXYXISDAJ-FRRDWIJNSA-N 2 2 291.461 0.825 20 0 CCADLP CC[C@@H](C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1)[NH+](C)C ZINC000413783203 389556496 /nfs/dbraw/zinc/55/64/96/389556496.db2.gz LYFHJMKHHJVBHV-KGLIPLIRSA-N 2 2 276.384 0.895 20 0 CCADLP CC[NH2+]CC[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000423245521 389556993 /nfs/dbraw/zinc/55/69/93/389556993.db2.gz YNBGNMOOWHGVMV-AWEZNQCLSA-N 2 2 297.424 0.911 20 0 CCADLP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422876812 389497598 /nfs/dbraw/zinc/49/75/98/389497598.db2.gz QOXHNPQEAFOCNU-MSQAHXEGSA-N 2 2 279.428 0.826 20 0 CCADLP COCC[N@@H+]1CC[C@H](N[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000422888302 389500421 /nfs/dbraw/zinc/50/04/21/389500421.db2.gz MNVSNTZWHKHYLN-KKUMJFAQSA-N 2 2 283.416 0.064 20 0 CCADLP COCC[N@H+]1CC[C@H](N[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000422888302 389500424 /nfs/dbraw/zinc/50/04/24/389500424.db2.gz MNVSNTZWHKHYLN-KKUMJFAQSA-N 2 2 283.416 0.064 20 0 CCADLP COCCN1CC[C@H]([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000422888302 389500427 /nfs/dbraw/zinc/50/04/27/389500427.db2.gz MNVSNTZWHKHYLN-KKUMJFAQSA-N 2 2 283.416 0.064 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccnc(C)n3)C2)CC1 ZINC000373655170 389504331 /nfs/dbraw/zinc/50/43/31/389504331.db2.gz PGLFCUBCYFCXSF-INIZCTEOSA-N 2 2 289.427 0.997 20 0 CCADLP CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414310083 389611802 /nfs/dbraw/zinc/61/18/02/389611802.db2.gz YTXRJHKMWAFFFS-WDEREUQCSA-N 2 2 281.404 0.879 20 0 CCADLP CC(C)[C@@H](O)CC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414357066 389612390 /nfs/dbraw/zinc/61/23/90/389612390.db2.gz IHYJCYOXXGWUJB-LBPRGKRZSA-N 2 2 254.378 0.983 20 0 CCADLP COCCC[N@@H+](C)CCNCc1c[nH+]c(N(C)C)n1C ZINC000414354703 389612817 /nfs/dbraw/zinc/61/28/17/389612817.db2.gz APINXJABQADZRB-UHFFFAOYSA-N 2 2 283.420 0.544 20 0 CCADLP COC[C@@H]1C[C@H](O)C[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000414489820 389621457 /nfs/dbraw/zinc/62/14/57/389621457.db2.gz NOPVUHCRDANNGF-STQMWFEESA-N 2 2 261.325 0.916 20 0 CCADLP COC[C@@H]1C[C@H](O)C[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000414489820 389621459 /nfs/dbraw/zinc/62/14/59/389621459.db2.gz NOPVUHCRDANNGF-STQMWFEESA-N 2 2 261.325 0.916 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000414964196 389647726 /nfs/dbraw/zinc/64/77/26/389647726.db2.gz LYMFKMOJRKBANG-CYBMUJFWSA-N 2 2 277.368 0.451 20 0 CCADLP CC(C)(C)[NH2+]CC[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000414681724 389626411 /nfs/dbraw/zinc/62/64/11/389626411.db2.gz PTXQKMPWZIHOQJ-AWEZNQCLSA-N 2 2 297.443 0.945 20 0 CCADLP CC(C)(C)[NH2+]CC[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000414681724 389626416 /nfs/dbraw/zinc/62/64/16/389626416.db2.gz PTXQKMPWZIHOQJ-AWEZNQCLSA-N 2 2 297.443 0.945 20 0 CCADLP COCCOc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)cc1 ZINC000414972334 389649037 /nfs/dbraw/zinc/64/90/37/389649037.db2.gz XPPZDNHCUWKHSC-HNNXBMFYSA-N 2 2 293.411 0.705 20 0 CCADLP CN(C)C(=O)COc1ccccc1C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414854542 389640046 /nfs/dbraw/zinc/64/00/46/389640046.db2.gz ZNEDIZAKZYXSAT-AWEZNQCLSA-N 2 2 291.395 0.995 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@@H+]1CCOC(C)(C)C1)[C@H](C)[NH3+] ZINC000423393060 389577719 /nfs/dbraw/zinc/57/77/19/389577719.db2.gz QIXDADKOBVKKIG-QWHCGFSZSA-N 2 2 285.432 0.833 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@H+]1CCOC(C)(C)C1)[C@H](C)[NH3+] ZINC000423393060 389577723 /nfs/dbraw/zinc/57/77/23/389577723.db2.gz QIXDADKOBVKKIG-QWHCGFSZSA-N 2 2 285.432 0.833 20 0 CCADLP Cn1cc(C[NH+]2CCN(C(=O)[C@H]([NH3+])C3CCC3)CC2)cn1 ZINC000423422474 389583762 /nfs/dbraw/zinc/58/37/62/389583762.db2.gz CTUUAKFPPOGOMF-CQSZACIVSA-N 2 2 291.399 0.192 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H](C)CC[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000423433750 389586444 /nfs/dbraw/zinc/58/64/44/389586444.db2.gz PMDQYGGGHNTGHO-APIJFGDWSA-N 2 2 295.427 0.554 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423465953 389590938 /nfs/dbraw/zinc/59/09/38/389590938.db2.gz AFRKHLLYRVZEEZ-HZSPNIEDSA-N 3 2 255.406 0.875 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000423509348 389597148 /nfs/dbraw/zinc/59/71/48/389597148.db2.gz JODKQGJQBRKBFR-BFHYXJOUSA-N 2 2 283.416 0.683 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000423509348 389597152 /nfs/dbraw/zinc/59/71/52/389597152.db2.gz JODKQGJQBRKBFR-BFHYXJOUSA-N 2 2 283.416 0.683 20 0 CCADLP CCC[C@H]1C[NH2+]CCN1C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000423510575 389597891 /nfs/dbraw/zinc/59/78/91/389597891.db2.gz MOWHHDLCZGKSTM-KGLIPLIRSA-N 2 2 282.432 0.223 20 0 CCADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1cccc2c1OCO2 ZINC000414969787 389649133 /nfs/dbraw/zinc/64/91/33/389649133.db2.gz UBQMHLPWOSQSEU-LBPRGKRZSA-N 2 2 263.341 0.409 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000414972787 389649206 /nfs/dbraw/zinc/64/92/06/389649206.db2.gz YIBBEGWRQVZOEV-CYBMUJFWSA-N 2 2 265.405 0.631 20 0 CCADLP CCC[NH+]1CCC([NH2+]C[C@@H]2C[NH2+]CCN2C)CC1 ZINC000414968943 389649390 /nfs/dbraw/zinc/64/93/90/389649390.db2.gz DJMZSYJIBDASMW-AWEZNQCLSA-N 3 2 254.422 0.354 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000414968144 389649600 /nfs/dbraw/zinc/64/96/00/389649600.db2.gz RKCHBNYQRRQYJN-OAHLLOKOSA-N 2 2 286.383 0.261 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000414981536 389650640 /nfs/dbraw/zinc/65/06/40/389650640.db2.gz XSBZVZXDAKTQAW-CBBWQLFWSA-N 3 2 266.433 0.400 20 0 CCADLP CCN(C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179292793 389651039 /nfs/dbraw/zinc/65/10/39/389651039.db2.gz RMLJGBMHKINUCD-UHFFFAOYSA-N 2 2 256.394 0.674 20 0 CCADLP Cn1cnc2cc(C[NH2+]C[C@H]3C[NH2+]CCN3C)ccc21 ZINC000414975174 389651258 /nfs/dbraw/zinc/65/12/58/389651258.db2.gz LGUYYLLTXPAHIB-CYBMUJFWSA-N 2 2 273.384 0.567 20 0 CCADLP COc1cccc(C[NH2+]C[C@H]2C[NH2+]CCO2)c1OC ZINC000415099426 389659530 /nfs/dbraw/zinc/65/95/30/389659530.db2.gz YJYKDSFSLXCUGD-GFCCVEGCSA-N 2 2 266.341 0.782 20 0 CCADLP C[N@H+](CC(=O)NC1CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375740655 389706969 /nfs/dbraw/zinc/70/69/69/389706969.db2.gz BDUDPFALVOAKQG-FUNVUKJBSA-N 2 2 251.374 0.822 20 0 CCADLP C[N@@H+](CC(=O)NC1CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375740655 389706974 /nfs/dbraw/zinc/70/69/74/389706974.db2.gz BDUDPFALVOAKQG-FUNVUKJBSA-N 2 2 251.374 0.822 20 0 CCADLP C[NH+](CC(=O)NC1CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375740655 389706976 /nfs/dbraw/zinc/70/69/76/389706976.db2.gz BDUDPFALVOAKQG-FUNVUKJBSA-N 2 2 251.374 0.822 20 0 CCADLP C[NH+](CC(=O)NC1CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375740655 389706978 /nfs/dbraw/zinc/70/69/78/389706978.db2.gz BDUDPFALVOAKQG-FUNVUKJBSA-N 2 2 251.374 0.822 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000429399860 389754771 /nfs/dbraw/zinc/75/47/71/389754771.db2.gz CRAHPMVGSQGEQC-GFCCVEGCSA-N 2 2 271.386 0.558 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000429399860 389754775 /nfs/dbraw/zinc/75/47/75/389754775.db2.gz CRAHPMVGSQGEQC-GFCCVEGCSA-N 2 2 271.386 0.558 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CO)CC1 ZINC000378670678 389760113 /nfs/dbraw/zinc/76/01/13/389760113.db2.gz CWNJXQAKYCHZSM-KBPBESRZSA-N 2 2 274.405 0.020 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](CO)CC1 ZINC000378670678 389760115 /nfs/dbraw/zinc/76/01/15/389760115.db2.gz CWNJXQAKYCHZSM-KBPBESRZSA-N 2 2 274.405 0.020 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](CO)CC1 ZINC000378670678 389760118 /nfs/dbraw/zinc/76/01/18/389760118.db2.gz CWNJXQAKYCHZSM-KBPBESRZSA-N 2 2 274.405 0.020 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](CO)CC1 ZINC000378670678 389760120 /nfs/dbraw/zinc/76/01/20/389760120.db2.gz CWNJXQAKYCHZSM-KBPBESRZSA-N 2 2 274.405 0.020 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCS[C@H](C)CC1 ZINC000379466409 389761967 /nfs/dbraw/zinc/76/19/67/389761967.db2.gz JIFFIQDNWMGIPN-CHWSQXEVSA-N 2 2 276.446 0.753 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCS[C@H](C)CC1 ZINC000379466409 389761968 /nfs/dbraw/zinc/76/19/68/389761968.db2.gz JIFFIQDNWMGIPN-CHWSQXEVSA-N 2 2 276.446 0.753 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCS[C@H](C)CC1 ZINC000379466409 389761969 /nfs/dbraw/zinc/76/19/69/389761969.db2.gz JIFFIQDNWMGIPN-CHWSQXEVSA-N 2 2 276.446 0.753 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCS[C@H](C)CC1 ZINC000379466409 389761970 /nfs/dbraw/zinc/76/19/70/389761970.db2.gz JIFFIQDNWMGIPN-CHWSQXEVSA-N 2 2 276.446 0.753 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCN1CCN(c2[nH+]ccn2C)CC1 ZINC000429695617 389767091 /nfs/dbraw/zinc/76/70/91/389767091.db2.gz PTQIWCGQFLKLGF-AWEZNQCLSA-N 2 2 293.415 0.263 20 0 CCADLP C[C@H]1COCC[N@H+]1CCN1CCN(c2[nH+]ccn2C)CC1 ZINC000429695617 389767094 /nfs/dbraw/zinc/76/70/94/389767094.db2.gz PTQIWCGQFLKLGF-AWEZNQCLSA-N 2 2 293.415 0.263 20 0 CCADLP C[C@H]1COCCN1CC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000429695617 389767096 /nfs/dbraw/zinc/76/70/96/389767096.db2.gz PTQIWCGQFLKLGF-AWEZNQCLSA-N 2 2 293.415 0.263 20 0 CCADLP Cn1cc[nH+]c1CNc1cc[nH+]c(N2CCOCC2)n1 ZINC000352369520 389799285 /nfs/dbraw/zinc/79/92/85/389799285.db2.gz QQDQSNCUDRHIEQ-UHFFFAOYSA-N 2 2 274.328 0.081 20 0 CCADLP CC[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@]2(CCOC2)O1 ZINC000352368661 389799295 /nfs/dbraw/zinc/79/92/95/389799295.db2.gz JWULVTYVDCIKQA-OAGGEKHMSA-N 2 2 298.427 0.711 20 0 CCADLP CC[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@]2(CCOC2)O1 ZINC000352368661 389799298 /nfs/dbraw/zinc/79/92/98/389799298.db2.gz JWULVTYVDCIKQA-OAGGEKHMSA-N 2 2 298.427 0.711 20 0 CCADLP CC[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)C[C@]2(CCOC2)O1 ZINC000352368661 389799301 /nfs/dbraw/zinc/79/93/01/389799301.db2.gz JWULVTYVDCIKQA-OAGGEKHMSA-N 2 2 298.427 0.711 20 0 CCADLP CC[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C[C@]2(CCOC2)O1 ZINC000352368661 389799304 /nfs/dbraw/zinc/79/93/04/389799304.db2.gz JWULVTYVDCIKQA-OAGGEKHMSA-N 2 2 298.427 0.711 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](OC)C[C@H]1C ZINC000388859949 389770823 /nfs/dbraw/zinc/77/08/23/389770823.db2.gz AKGBSGPMAVTCPF-HZSPNIEDSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](OC)C[C@H]1C ZINC000388859949 389770825 /nfs/dbraw/zinc/77/08/25/389770825.db2.gz AKGBSGPMAVTCPF-HZSPNIEDSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](OC)C[C@H]1C ZINC000388859949 389770826 /nfs/dbraw/zinc/77/08/26/389770826.db2.gz AKGBSGPMAVTCPF-HZSPNIEDSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](OC)C[C@H]1C ZINC000388859949 389770828 /nfs/dbraw/zinc/77/08/28/389770828.db2.gz AKGBSGPMAVTCPF-HZSPNIEDSA-N 2 2 274.405 0.425 20 0 CCADLP CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+][C@@H]2CC[NH2+]C2)C1 ZINC000397441393 389777857 /nfs/dbraw/zinc/77/78/57/389777857.db2.gz ZYNGWDQPWNJCFR-VXGBXAGGSA-N 2 2 285.388 0.574 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CC2=CCOCC2)n1C ZINC000397772623 389779670 /nfs/dbraw/zinc/77/96/70/389779670.db2.gz QNJSJXGYSRQFMU-UHFFFAOYSA-N 2 2 250.346 0.922 20 0 CCADLP C[C@H](C[NH3+])NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000416940465 389783026 /nfs/dbraw/zinc/78/30/26/389783026.db2.gz GCNBAZZAPBHMGH-SNVBAGLBSA-N 2 2 261.329 0.523 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000417003709 389788267 /nfs/dbraw/zinc/78/82/67/389788267.db2.gz BQRCZRBIMFODOG-GFCCVEGCSA-N 2 2 277.372 0.699 20 0 CCADLP CN(C)c1ccc(CNC(=O)NC[C@H]([NH3+])C2CC2)c[nH+]1 ZINC000417009201 389788842 /nfs/dbraw/zinc/78/88/42/389788842.db2.gz NGYJPIAIGRNELR-LBPRGKRZSA-N 2 2 277.372 0.684 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000417007960 389789086 /nfs/dbraw/zinc/78/90/86/389789086.db2.gz LRVJITOBDPDLGA-LLVKDONJSA-N 2 2 279.388 0.945 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1 ZINC000352316823 389789440 /nfs/dbraw/zinc/78/94/40/389789440.db2.gz YCEUXOZREHQCGH-NWANDNLSSA-N 2 2 293.411 0.308 20 0 CCADLP C[C@H]1CN(C(=O)NCc2ccc(N(C)C)[nH+]c2)CC[NH2+]1 ZINC000417011728 389789717 /nfs/dbraw/zinc/78/97/17/389789717.db2.gz SUPZIEZCOIKCFR-NSHDSACASA-N 2 2 277.372 0.651 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000417027731 389791008 /nfs/dbraw/zinc/79/10/08/389791008.db2.gz NZJKHSYJMHBWHB-JHJVBQTASA-N 2 2 284.404 0.099 20 0 CCADLP CSC[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000429307586 389750324 /nfs/dbraw/zinc/75/03/24/389750324.db2.gz OZDLROILMHFASK-CYBMUJFWSA-N 2 2 285.457 0.835 20 0 CCADLP CSC[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000429307586 389750326 /nfs/dbraw/zinc/75/03/26/389750326.db2.gz OZDLROILMHFASK-CYBMUJFWSA-N 2 2 285.457 0.835 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000430575807 389809069 /nfs/dbraw/zinc/80/90/69/389809069.db2.gz AHSVJRNSKUOWRZ-KGLIPLIRSA-N 2 2 293.415 0.831 20 0 CCADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000430575807 389809071 /nfs/dbraw/zinc/80/90/71/389809071.db2.gz AHSVJRNSKUOWRZ-KGLIPLIRSA-N 2 2 293.415 0.831 20 0 CCADLP Cn1cc(N2CCC[C@H]([N@H+](C)CC(C)(C)C[NH3+])C2=O)cn1 ZINC000430580209 389809103 /nfs/dbraw/zinc/80/91/03/389809103.db2.gz RMCPTQIDDMLSKV-ZDUSSCGKSA-N 2 2 293.415 0.832 20 0 CCADLP Cn1cc(N2CCC[C@H]([N@@H+](C)CC(C)(C)C[NH3+])C2=O)cn1 ZINC000430580209 389809104 /nfs/dbraw/zinc/80/91/04/389809104.db2.gz RMCPTQIDDMLSKV-ZDUSSCGKSA-N 2 2 293.415 0.832 20 0 CCADLP C[C@](C[NH3+])([NH2+]Cc1cc(=O)n2ccsc2n1)C1CC1 ZINC000430584273 389809936 /nfs/dbraw/zinc/80/99/36/389809936.db2.gz OTHBIDNUDRZGJV-CYBMUJFWSA-N 2 2 278.381 0.973 20 0 CCADLP CCc1cc(N2CC[C@@H]3OCC[NH2+][C@@H]3C2)nc(C)[nH+]1 ZINC000404286567 389811092 /nfs/dbraw/zinc/81/10/92/389811092.db2.gz XWTDBSWQCRTQHR-OLZOCXBDSA-N 2 2 262.357 0.915 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000430598968 389811457 /nfs/dbraw/zinc/81/14/57/389811457.db2.gz FKUYLKNOSKVWAT-GXTWGEPZSA-N 2 2 291.399 0.457 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000430598968 389811458 /nfs/dbraw/zinc/81/14/58/389811458.db2.gz FKUYLKNOSKVWAT-GXTWGEPZSA-N 2 2 291.399 0.457 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430610464 389813055 /nfs/dbraw/zinc/81/30/55/389813055.db2.gz KQGRHHFSNWLVFR-UWVGGRQHSA-N 2 2 268.361 0.034 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430610464 389813057 /nfs/dbraw/zinc/81/30/57/389813057.db2.gz KQGRHHFSNWLVFR-UWVGGRQHSA-N 2 2 268.361 0.034 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCCN1C(=O)NC(C)(C)C1=O ZINC000430618868 389813638 /nfs/dbraw/zinc/81/36/38/389813638.db2.gz XMENDTXNKYQTFS-VXGBXAGGSA-N 2 2 296.415 0.909 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCCN1C(=O)NC(C)(C)C1=O ZINC000430618868 389813639 /nfs/dbraw/zinc/81/36/39/389813639.db2.gz XMENDTXNKYQTFS-VXGBXAGGSA-N 2 2 296.415 0.909 20 0 CCADLP CC[NH2+]CCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000417428907 389815795 /nfs/dbraw/zinc/81/57/95/389815795.db2.gz UFBZGQHVVIQACA-UHFFFAOYSA-N 2 2 272.393 0.006 20 0 CCADLP CC[NH2+]CCNC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000417428907 389815797 /nfs/dbraw/zinc/81/57/97/389815797.db2.gz UFBZGQHVVIQACA-UHFFFAOYSA-N 2 2 272.393 0.006 20 0 CCADLP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000430686885 389817146 /nfs/dbraw/zinc/81/71/46/389817146.db2.gz ODEOQXKJWQPUKB-VXGBXAGGSA-N 2 2 278.356 0.494 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)c2csc(C[NH3+])n2)C[C@@H]1C ZINC000430732042 389820859 /nfs/dbraw/zinc/82/08/59/389820859.db2.gz YINZUWNEUOUSHD-UWVGGRQHSA-N 2 2 298.412 0.129 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)c2csc(C[NH3+])n2)C[C@@H]1C ZINC000430732042 389820863 /nfs/dbraw/zinc/82/08/63/389820863.db2.gz YINZUWNEUOUSHD-UWVGGRQHSA-N 2 2 298.412 0.129 20 0 CCADLP CCCCN(CC)C(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352508334 389822001 /nfs/dbraw/zinc/82/20/01/389822001.db2.gz GJIBUBIYSKQULZ-HNNXBMFYSA-N 2 2 296.459 0.615 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1COCC[NH2+]1)[N@@H+]1CCCC[C@H]1C ZINC000430744659 389822207 /nfs/dbraw/zinc/82/22/07/389822207.db2.gz SXQUUMAZCQVRDJ-FRRDWIJNSA-N 2 2 269.389 0.354 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1COCC[NH2+]1)[N@H+]1CCCC[C@H]1C ZINC000430744659 389822208 /nfs/dbraw/zinc/82/22/08/389822208.db2.gz SXQUUMAZCQVRDJ-FRRDWIJNSA-N 2 2 269.389 0.354 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000430753285 389822938 /nfs/dbraw/zinc/82/29/38/389822938.db2.gz HXAQLKHKIGQTBQ-LBPRGKRZSA-N 2 2 278.356 0.142 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000417514747 389823997 /nfs/dbraw/zinc/82/39/97/389823997.db2.gz BUDZHGYERAARJE-AGIUHOORSA-N 2 2 286.420 0.393 20 0 CCADLP CC[NH2+]CCNC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000417528574 389827287 /nfs/dbraw/zinc/82/72/87/389827287.db2.gz WXCVWGWIMKDUKS-RYUDHWBXSA-N 2 2 272.393 0.004 20 0 CCADLP COCc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000430930218 389836586 /nfs/dbraw/zinc/83/65/86/389836586.db2.gz XIZFQNCJDMTCSQ-HNNXBMFYSA-N 2 2 291.395 0.730 20 0 CCADLP COCc1cccc(CNC(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000430930218 389836589 /nfs/dbraw/zinc/83/65/89/389836589.db2.gz XIZFQNCJDMTCSQ-HNNXBMFYSA-N 2 2 291.395 0.730 20 0 CCADLP COc1ccc(CNC(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000430936109 389836788 /nfs/dbraw/zinc/83/67/88/389836788.db2.gz XEFRZBNLRKKQPM-CYBMUJFWSA-N 2 2 277.368 0.592 20 0 CCADLP COc1ccc(CNC(=O)C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000430936109 389836791 /nfs/dbraw/zinc/83/67/91/389836791.db2.gz XEFRZBNLRKKQPM-CYBMUJFWSA-N 2 2 277.368 0.592 20 0 CCADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430939710 389837493 /nfs/dbraw/zinc/83/74/93/389837493.db2.gz MCKOXFABWKIHAZ-QWRGUYRKSA-N 2 2 290.367 0.393 20 0 CCADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430939710 389837495 /nfs/dbraw/zinc/83/74/95/389837495.db2.gz MCKOXFABWKIHAZ-QWRGUYRKSA-N 2 2 290.367 0.393 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430965823 389841913 /nfs/dbraw/zinc/84/19/13/389841913.db2.gz MPAYVSMXLYMEHP-OUAUKWLOSA-N 2 2 284.404 0.668 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430965823 389841917 /nfs/dbraw/zinc/84/19/17/389841917.db2.gz MPAYVSMXLYMEHP-OUAUKWLOSA-N 2 2 284.404 0.668 20 0 CCADLP CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000430965939 389842089 /nfs/dbraw/zinc/84/20/89/389842089.db2.gz MAXHOEKGSAQAOH-LBPRGKRZSA-N 2 2 290.367 0.864 20 0 CCADLP CC(=O)Nc1ccc(NC(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000430965939 389842091 /nfs/dbraw/zinc/84/20/91/389842091.db2.gz MAXHOEKGSAQAOH-LBPRGKRZSA-N 2 2 290.367 0.864 20 0 CCADLP O=C(C[C@@H]1C[NH2+]CCO1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000431040535 389847563 /nfs/dbraw/zinc/84/75/63/389847563.db2.gz NHQKWIZOQWLGNU-GFCCVEGCSA-N 2 2 278.356 0.494 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2[C@@H]2CCCO2)C1 ZINC000353570373 389853292 /nfs/dbraw/zinc/85/32/92/389853292.db2.gz SIZJORIFARPETF-SQCNAZHOSA-N 2 2 295.427 0.742 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2[C@@H]2CCCO2)C1 ZINC000353570373 389853293 /nfs/dbraw/zinc/85/32/93/389853293.db2.gz SIZJORIFARPETF-SQCNAZHOSA-N 2 2 295.427 0.742 20 0 CCADLP C[C@H](C(=O)NCC[NH+]1CCCC1)[NH+]1CCSCC1 ZINC000442711959 389857969 /nfs/dbraw/zinc/85/79/69/389857969.db2.gz TXCBWQGAXYEGOG-GFCCVEGCSA-N 2 2 271.430 0.636 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000442771288 389862196 /nfs/dbraw/zinc/86/21/96/389862196.db2.gz ZJKJVVVCMQZYHI-NQBHXWOUSA-N 2 2 277.372 0.195 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000442771288 389862197 /nfs/dbraw/zinc/86/21/97/389862197.db2.gz ZJKJVVVCMQZYHI-NQBHXWOUSA-N 2 2 277.372 0.195 20 0 CCADLP C[N@H+](CC(=O)NCc1cccnc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442776413 389862553 /nfs/dbraw/zinc/86/25/53/389862553.db2.gz DNEXBFPRIXWDFU-YIONKMFJSA-N 2 2 288.395 0.913 20 0 CCADLP C[N@@H+](CC(=O)NCc1cccnc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442776413 389862555 /nfs/dbraw/zinc/86/25/55/389862555.db2.gz DNEXBFPRIXWDFU-YIONKMFJSA-N 2 2 288.395 0.913 20 0 CCADLP CCC[C@H]([NH2+]C(C)C)C(=O)N(C)CC[NH+]1CCOCC1 ZINC000431779960 389866177 /nfs/dbraw/zinc/86/61/77/389866177.db2.gz CLEGAHZUZQTEFX-AWEZNQCLSA-N 2 2 285.432 0.944 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000418740265 389883619 /nfs/dbraw/zinc/88/36/19/389883619.db2.gz ZOUSTJMGSXHUIK-RWMBFGLXSA-N 2 2 284.404 0.228 20 0 CCADLP O=C([C@H]1CC[NH2+]1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000444170886 389894015 /nfs/dbraw/zinc/89/40/15/389894015.db2.gz UDUIAKPAJDQIDM-CQSZACIVSA-N 2 2 299.378 0.340 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000433116865 389898895 /nfs/dbraw/zinc/89/88/95/389898895.db2.gz MDMBUSNSRWGEAD-AGIUHOORSA-N 2 2 271.405 0.443 20 0 CCADLP CCc1nc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc(C)[nH+]1 ZINC000575073240 335062205 /nfs/dbraw/zinc/06/22/05/335062205.db2.gz WQXDVDCITKMRPS-WDEREUQCSA-N 2 2 275.356 0.096 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000356265689 285351973 /nfs/dbraw/zinc/35/19/73/285351973.db2.gz XLHVCTKEUJRGBC-GOEBONIOSA-N 2 2 295.427 0.651 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000356265689 285351978 /nfs/dbraw/zinc/35/19/78/285351978.db2.gz XLHVCTKEUJRGBC-GOEBONIOSA-N 2 2 295.427 0.651 20 0 CCADLP CC[NH+]1CCOC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000356265689 285351985 /nfs/dbraw/zinc/35/19/85/285351985.db2.gz XLHVCTKEUJRGBC-GOEBONIOSA-N 2 2 295.427 0.651 20 0 CCADLP CC[NH+]1CCOC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000356265689 285351992 /nfs/dbraw/zinc/35/19/92/285351992.db2.gz XLHVCTKEUJRGBC-GOEBONIOSA-N 2 2 295.427 0.651 20 0 CCADLP CCOCC[C@H](O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000444650682 389911836 /nfs/dbraw/zinc/91/18/36/389911836.db2.gz DLGRKZJEYUSRQI-ZDUSSCGKSA-N 2 2 255.362 0.993 20 0 CCADLP CCOCC[C@H](O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000444650682 389911839 /nfs/dbraw/zinc/91/18/39/389911839.db2.gz DLGRKZJEYUSRQI-ZDUSSCGKSA-N 2 2 255.362 0.993 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)NCc1cccc(-n2cc[nH+]c2)c1 ZINC000447438630 389955508 /nfs/dbraw/zinc/95/55/08/389955508.db2.gz HBBKSKTVKZODSR-CQSZACIVSA-N 2 2 288.351 0.852 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000447453598 389955679 /nfs/dbraw/zinc/95/56/79/389955679.db2.gz WJONOOLQENXGJY-GFCCVEGCSA-N 2 2 280.372 0.242 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[C@H](C)C[C@@H]2C[NH3+])nc[nH+]1 ZINC000420259265 389975065 /nfs/dbraw/zinc/97/50/65/389975065.db2.gz LMYVMAITNGAPPR-SDDRHHMPSA-N 2 2 279.388 0.833 20 0 CCADLP C[NH2+]CCC[NH+]1CCN(Cc2cc(C)on2)CC1 ZINC000435875047 389964781 /nfs/dbraw/zinc/96/47/81/389964781.db2.gz ARYNIMARUKBFEB-UHFFFAOYSA-N 2 2 252.362 0.710 20 0 CCADLP CCNc1nc(NC(C)(C)C)nc(NC[C@@H](C)C[NH2+]C)[nH+]1 ZINC000420209980 389966020 /nfs/dbraw/zinc/96/60/20/389966020.db2.gz RUBNIDAGYWMBBV-JTQLQIEISA-N 2 2 295.435 0.625 20 0 CCADLP CCNc1nc(NC[C@@H](C)C[NH2+]C)nc(NC(C)(C)C)[nH+]1 ZINC000420209980 389966022 /nfs/dbraw/zinc/96/60/22/389966022.db2.gz RUBNIDAGYWMBBV-JTQLQIEISA-N 2 2 295.435 0.625 20 0 CCADLP CCNc1nc(NC[C@@H](C)C[NH2+]C)[nH+]c(NC(C)(C)C)n1 ZINC000420209980 389966023 /nfs/dbraw/zinc/96/60/23/389966023.db2.gz RUBNIDAGYWMBBV-JTQLQIEISA-N 2 2 295.435 0.625 20 0 CCADLP CCS(=O)(=O)NCCC[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000420264930 389975580 /nfs/dbraw/zinc/97/55/80/389975580.db2.gz AUIQZKQTECBFLF-NWDGAFQWSA-N 2 2 277.434 0.518 20 0 CCADLP CCS(=O)(=O)NCCC[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000420264930 389975581 /nfs/dbraw/zinc/97/55/81/389975581.db2.gz AUIQZKQTECBFLF-NWDGAFQWSA-N 2 2 277.434 0.518 20 0 CCADLP Cc1nc(N(C)C)nc(N[C@H]2CCC[C@H]([NH3+])C2)[nH+]1 ZINC000420241711 389971832 /nfs/dbraw/zinc/97/18/32/389971832.db2.gz TXPXWDIWJIYQPB-UWVGGRQHSA-N 2 2 250.350 0.350 20 0 CCADLP Cc1nc(N[C@H]2CCC[C@H]([NH3+])C2)nc(N(C)C)[nH+]1 ZINC000420241711 389971833 /nfs/dbraw/zinc/97/18/33/389971833.db2.gz TXPXWDIWJIYQPB-UWVGGRQHSA-N 2 2 250.350 0.350 20 0 CCADLP C[C@@H]1CN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC[NH2+]1 ZINC000420246496 389972108 /nfs/dbraw/zinc/97/21/08/389972108.db2.gz SZFGCJLAJXYJDN-CHWSQXEVSA-N 2 2 291.399 0.626 20 0 CCADLP CC[C@H]1CN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C[C@@H]1[NH+]1CCOCC1 ZINC000446401570 389935691 /nfs/dbraw/zinc/93/56/91/389935691.db2.gz ZUGHYYDDHVOKHE-FQUUOJAGSA-N 2 2 299.390 0.256 20 0 CCADLP COCCO[C@H]1C[C@@H](CO)C[N@H+](CCn2cc[nH+]c2)C1 ZINC000447392464 389953378 /nfs/dbraw/zinc/95/33/78/389953378.db2.gz HNVMDSCGLYCPOZ-KGLIPLIRSA-N 2 2 283.372 0.229 20 0 CCADLP COCCO[C@H]1C[C@@H](CO)C[N@@H+](CCn2cc[nH+]c2)C1 ZINC000447392464 389953380 /nfs/dbraw/zinc/95/33/80/389953380.db2.gz HNVMDSCGLYCPOZ-KGLIPLIRSA-N 2 2 283.372 0.229 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@]2(O)CCSC2)n1C ZINC000436480983 389977278 /nfs/dbraw/zinc/97/72/78/389977278.db2.gz LLNHMTKMRFOBML-GFCCVEGCSA-N 2 2 270.402 0.444 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420305817 389980786 /nfs/dbraw/zinc/98/07/86/389980786.db2.gz KMUPZUSZLOOAHX-LSDHHAIUSA-N 3 2 294.443 0.272 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420305817 389980787 /nfs/dbraw/zinc/98/07/87/389980787.db2.gz KMUPZUSZLOOAHX-LSDHHAIUSA-N 3 2 294.443 0.272 20 0 CCADLP CCOC(=O)[C@H](CC)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420307050 389981418 /nfs/dbraw/zinc/98/14/18/389981418.db2.gz LRMUFORGRJDQAC-OLZOCXBDSA-N 2 2 297.399 0.224 20 0 CCADLP CCOC(=O)[C@H](CC)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420307050 389981420 /nfs/dbraw/zinc/98/14/20/389981420.db2.gz LRMUFORGRJDQAC-OLZOCXBDSA-N 2 2 297.399 0.224 20 0 CCADLP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCO[C@H](CO)C2)cc1 ZINC000420308978 389981571 /nfs/dbraw/zinc/98/15/71/389981571.db2.gz SRAXYNNLNKIIRL-ZFWWWQNUSA-N 2 2 280.368 0.431 20 0 CCADLP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCO[C@H](CO)C2)cc1 ZINC000420308978 389981573 /nfs/dbraw/zinc/98/15/73/389981573.db2.gz SRAXYNNLNKIIRL-ZFWWWQNUSA-N 2 2 280.368 0.431 20 0 CCADLP COc1cccc(OCC[N@H+](CC[NH3+])CCO)c1 ZINC000420314308 389981713 /nfs/dbraw/zinc/98/17/13/389981713.db2.gz VOGXVGSTJZWGIS-UHFFFAOYSA-N 2 2 254.330 0.327 20 0 CCADLP COc1cccc(OCC[N@@H+](CC[NH3+])CCO)c1 ZINC000420314308 389981714 /nfs/dbraw/zinc/98/17/14/389981714.db2.gz VOGXVGSTJZWGIS-UHFFFAOYSA-N 2 2 254.330 0.327 20 0 CCADLP C[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)C1CC([NH3+])C1 ZINC000420328959 389983939 /nfs/dbraw/zinc/98/39/39/389983939.db2.gz INFDOYPIVGHUIV-UHFFFAOYSA-N 2 2 291.351 0.818 20 0 CCADLP C[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)C1CC([NH3+])C1 ZINC000420328959 389983940 /nfs/dbraw/zinc/98/39/40/389983940.db2.gz INFDOYPIVGHUIV-UHFFFAOYSA-N 2 2 291.351 0.818 20 0 CCADLP C[N@H+](CC(=O)NC[C@@H]1Cc2ccccc2O1)C1CC([NH3+])C1 ZINC000420333484 389984834 /nfs/dbraw/zinc/98/48/34/389984834.db2.gz NTSGXXLYCMCMCC-RUXDESIVSA-N 2 2 289.379 0.528 20 0 CCADLP C[N@@H+](CC(=O)NC[C@@H]1Cc2ccccc2O1)C1CC([NH3+])C1 ZINC000420333484 389984836 /nfs/dbraw/zinc/98/48/36/389984836.db2.gz NTSGXXLYCMCMCC-RUXDESIVSA-N 2 2 289.379 0.528 20 0 CCADLP CCCCCNC(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000420337194 389985739 /nfs/dbraw/zinc/98/57/39/389985739.db2.gz MXBTXIHMVBKQGU-QWHCGFSZSA-N 2 2 253.390 0.977 20 0 CCADLP CCCCCNC(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000420337194 389985742 /nfs/dbraw/zinc/98/57/42/389985742.db2.gz MXBTXIHMVBKQGU-QWHCGFSZSA-N 2 2 253.390 0.977 20 0 CCADLP COc1ccc(CNC(=O)C[N@H+](C)C2CC([NH3+])C2)cc1 ZINC000420344917 389986683 /nfs/dbraw/zinc/98/66/83/389986683.db2.gz YVRYTOQSPVBJHZ-UHFFFAOYSA-N 2 2 277.368 0.733 20 0 CCADLP COc1ccc(CNC(=O)C[N@@H+](C)C2CC([NH3+])C2)cc1 ZINC000420344917 389986686 /nfs/dbraw/zinc/98/66/86/389986686.db2.gz YVRYTOQSPVBJHZ-UHFFFAOYSA-N 2 2 277.368 0.733 20 0 CCADLP C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420349755 389988296 /nfs/dbraw/zinc/98/82/96/389988296.db2.gz DSPKAVYWNANFSY-ZWNOBZJWSA-N 2 2 283.347 0.082 20 0 CCADLP C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420349755 389988298 /nfs/dbraw/zinc/98/82/98/389988298.db2.gz DSPKAVYWNANFSY-ZWNOBZJWSA-N 2 2 283.347 0.082 20 0 CCADLP C[N@@H+](CC(=O)N(Cc1ccccc1)C1CC1)C[C@@H](O)C[NH3+] ZINC000420353609 389989580 /nfs/dbraw/zinc/98/95/80/389989580.db2.gz NKWHWFSGNQNTLU-HNNXBMFYSA-N 2 2 291.395 0.429 20 0 CCADLP C[N@H+](CC(=O)N(Cc1ccccc1)C1CC1)C[C@@H](O)C[NH3+] ZINC000420353609 389989582 /nfs/dbraw/zinc/98/95/82/389989582.db2.gz NKWHWFSGNQNTLU-HNNXBMFYSA-N 2 2 291.395 0.429 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)CC1 ZINC000420358610 389991186 /nfs/dbraw/zinc/99/11/86/389991186.db2.gz FODOFECCQTWKPM-XJKCOSOUSA-N 3 2 296.459 0.563 20 0 CCADLP [NH3+]CCN1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000420361146 389992195 /nfs/dbraw/zinc/99/21/95/389992195.db2.gz MTAFYLOUDVZISI-UHFFFAOYSA-N 2 2 285.395 0.949 20 0 CCADLP CC[NH+]1C[C@H](C)N(CCC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000459472512 390075051 /nfs/dbraw/zinc/07/50/51/390075051.db2.gz XLEYZUOKHQWUOO-GJZGRUSLSA-N 2 2 296.459 0.565 20 0 CCADLP CCN1C[C@H](C)[NH+](CCC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000459472512 390075052 /nfs/dbraw/zinc/07/50/52/390075052.db2.gz XLEYZUOKHQWUOO-GJZGRUSLSA-N 2 2 296.459 0.565 20 0 CCADLP C[C@@H]1C[C@@H]1C[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000488424748 390093791 /nfs/dbraw/zinc/09/37/91/390093791.db2.gz YUJCJLWPCBZUKY-HUUCEWRRSA-N 2 2 269.433 0.622 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000488547401 390094626 /nfs/dbraw/zinc/09/46/26/390094626.db2.gz JDBWQMCEEOVNKM-NEPJUHHUSA-N 2 2 279.388 0.837 20 0 CCADLP C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000488537460 390094630 /nfs/dbraw/zinc/09/46/30/390094630.db2.gz QPURXLHMRKACBU-MGPQQGTHSA-N 2 2 281.400 0.165 20 0 CCADLP COCC[N@@H+]1CCCN(C(=O)/C=C\c2[nH]cc[nH+]2)CC1 ZINC000493144849 390119670 /nfs/dbraw/zinc/11/96/70/390119670.db2.gz FEDKULRROYJYFL-ARJAWSKDSA-N 2 2 278.356 0.604 20 0 CCADLP COCC[N@H+]1CCCN(C(=O)/C=C\c2[nH]cc[nH+]2)CC1 ZINC000493144849 390119671 /nfs/dbraw/zinc/11/96/71/390119671.db2.gz FEDKULRROYJYFL-ARJAWSKDSA-N 2 2 278.356 0.604 20 0 CCADLP C[C@@H]1CN(c2cc[nH+]c(N(C)C)n2)CC[N@@H+]1CCO ZINC000490068160 390104137 /nfs/dbraw/zinc/10/41/37/390104137.db2.gz QQLWMZGCGUTIQB-LLVKDONJSA-N 2 2 265.361 0.045 20 0 CCADLP C[C@@H]1CN(c2cc[nH+]c(N(C)C)n2)CC[N@H+]1CCO ZINC000490068160 390104138 /nfs/dbraw/zinc/10/41/38/390104138.db2.gz QQLWMZGCGUTIQB-LLVKDONJSA-N 2 2 265.361 0.045 20 0 CCADLP C[NH+](C)C/C=C\C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000491688131 390115932 /nfs/dbraw/zinc/11/59/32/390115932.db2.gz ZXHWWVLOQQISNQ-XQRVVYSFSA-N 2 2 288.395 0.844 20 0 CCADLP C[NH+](C)C/C=C\C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000491848952 390117424 /nfs/dbraw/zinc/11/74/24/390117424.db2.gz OKYZIBTXTYIEJG-ALCCZGGFSA-N 2 2 262.357 0.953 20 0 CCADLP Cc1cc(NC(=O)[C@@H](C)[N@H+](C)CCN2CC[NH2+]CC2)on1 ZINC000647834938 390185599 /nfs/dbraw/zinc/18/55/99/390185599.db2.gz FZZRYIUGQVFCCJ-GFCCVEGCSA-N 2 2 295.387 0.147 20 0 CCADLP Cc1cc(NC(=O)[C@@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)on1 ZINC000647834938 390185600 /nfs/dbraw/zinc/18/56/00/390185600.db2.gz FZZRYIUGQVFCCJ-GFCCVEGCSA-N 2 2 295.387 0.147 20 0 CCADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)/C=C\c1[nH]cc[nH+]1 ZINC000493858623 390129800 /nfs/dbraw/zinc/12/98/00/390129800.db2.gz SQFOFLHHHZSVOI-FJOGCWAESA-N 2 2 280.372 0.896 20 0 CCADLP CCO[C@H](CC[NH+](C)C)CNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493858620 390130059 /nfs/dbraw/zinc/13/00/59/390130059.db2.gz SQFOFLHHHZSVOI-BTDICHCPSA-N 2 2 280.372 0.896 20 0 CCADLP C[N@@H+]1CCN(C(=O)/C=C/c2cncc(F)c2)[C@H](C[NH3+])C1 ZINC000493862739 390130146 /nfs/dbraw/zinc/13/01/46/390130146.db2.gz YUIFZQXASGKCLJ-YWVDXFKGSA-N 2 2 278.331 0.335 20 0 CCADLP C[N@H+]1CCN(C(=O)/C=C/c2cncc(F)c2)[C@H](C[NH3+])C1 ZINC000493862739 390130147 /nfs/dbraw/zinc/13/01/47/390130147.db2.gz YUIFZQXASGKCLJ-YWVDXFKGSA-N 2 2 278.331 0.335 20 0 CCADLP C[NH+]1CCN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)[C@H](C[NH3+])C1 ZINC000578980908 390130290 /nfs/dbraw/zinc/13/02/90/390130290.db2.gz YHQXQKUWNQZJLG-UONOGXRCSA-N 3 2 297.447 0.003 20 0 CCADLP C[NH+]1CCC[C@@H](CCNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000578980908 390130297 /nfs/dbraw/zinc/13/02/97/390130297.db2.gz YHQXQKUWNQZJLG-UONOGXRCSA-N 3 2 297.447 0.003 20 0 CCADLP Cc1ccccc1CCNC(=O)C[N@H+](C)CCC[NH3+] ZINC000647849070 390191468 /nfs/dbraw/zinc/19/14/68/390191468.db2.gz GVRNDRMBDRTJEI-UHFFFAOYSA-N 2 2 263.385 0.934 20 0 CCADLP C[C@@H](NC(=O)N[C@@H](C)C[NH+](C)C)[C@@H](C)[NH+]1CCOCC1 ZINC000493878465 390131898 /nfs/dbraw/zinc/13/18/98/390131898.db2.gz LRQHWPXJPHQXSK-YNEHKIRRSA-N 2 2 286.420 0.345 20 0 CCADLP Cc1ccccc1CCNC(=O)C[N@@H+](C)CCC[NH3+] ZINC000647849070 390191470 /nfs/dbraw/zinc/19/14/70/390191470.db2.gz GVRNDRMBDRTJEI-UHFFFAOYSA-N 2 2 263.385 0.934 20 0 CCADLP [NH3+][C@H](C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1)c1cscn1 ZINC000644135868 390142093 /nfs/dbraw/zinc/14/20/93/390142093.db2.gz TVELGGASUACHTR-NGZCFLSTSA-N 2 2 268.386 0.777 20 0 CCADLP Cc1cc(N2CC(C[NH+]3CCOCC3)C2)nc(C)[nH+]1 ZINC000647843598 390189087 /nfs/dbraw/zinc/18/90/87/390189087.db2.gz YZQVTPSFMNICND-UHFFFAOYSA-N 2 2 262.357 0.862 20 0 CCADLP O=C(C[C@@H]1COCC[NH2+]1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000644150280 390148063 /nfs/dbraw/zinc/14/80/63/390148063.db2.gz BGROSIZVBKOQNM-QWHCGFSZSA-N 2 2 290.367 0.155 20 0 CCADLP Cc1ccn2cc(CNC(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)[nH+]c2c1 ZINC000579215246 390151425 /nfs/dbraw/zinc/15/14/25/390151425.db2.gz VIZGJBVCMJXSKL-IMRBUKKESA-N 2 2 285.351 0.660 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000579240698 390156071 /nfs/dbraw/zinc/15/60/71/390156071.db2.gz ZTFHDWBYQIWHPX-AWEZNQCLSA-N 2 2 250.342 0.721 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1CCc2ccc(O)cc2C1 ZINC000579240698 390156074 /nfs/dbraw/zinc/15/60/74/390156074.db2.gz ZTFHDWBYQIWHPX-AWEZNQCLSA-N 2 2 250.342 0.721 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC2(C1)CCOCC2 ZINC000579251734 390157508 /nfs/dbraw/zinc/15/75/08/390157508.db2.gz HQYQYKOIKIWAHV-CYBMUJFWSA-N 2 2 272.389 0.038 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC2(C1)CCOCC2 ZINC000579251734 390157509 /nfs/dbraw/zinc/15/75/09/390157509.db2.gz HQYQYKOIKIWAHV-CYBMUJFWSA-N 2 2 272.389 0.038 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000536542002 390163761 /nfs/dbraw/zinc/16/37/61/390163761.db2.gz DPFIGPZZSXYJIP-JTQLQIEISA-N 2 2 268.386 0.805 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000536542002 390163763 /nfs/dbraw/zinc/16/37/63/390163763.db2.gz DPFIGPZZSXYJIP-JTQLQIEISA-N 2 2 268.386 0.805 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCc2ccccc2N)[C@H](C[NH3+])C1 ZINC000579351412 390164231 /nfs/dbraw/zinc/16/42/31/390164231.db2.gz VIFSVFIWAJYSRJ-CYBMUJFWSA-N 2 2 276.384 0.303 20 0 CCADLP C[N@H+]1CCN(C(=O)CCc2ccccc2N)[C@H](C[NH3+])C1 ZINC000579351412 390164234 /nfs/dbraw/zinc/16/42/34/390164234.db2.gz VIFSVFIWAJYSRJ-CYBMUJFWSA-N 2 2 276.384 0.303 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](CO)c1ccccc1OC ZINC000579370725 390167349 /nfs/dbraw/zinc/16/73/49/390167349.db2.gz QFBHAEBQCZCGMS-OCCSQVGLSA-N 2 2 282.384 0.631 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](CO)c1ccccc1OC ZINC000579370725 390167351 /nfs/dbraw/zinc/16/73/51/390167351.db2.gz QFBHAEBQCZCGMS-OCCSQVGLSA-N 2 2 282.384 0.631 20 0 CCADLP Cc1ccncc1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000579377517 390168812 /nfs/dbraw/zinc/16/88/12/390168812.db2.gz REAPENMKZIVWNX-CHWSQXEVSA-N 2 2 260.341 0.134 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)S(C)(=O)=O)[C@@H](C)C1 ZINC000536833256 390171848 /nfs/dbraw/zinc/17/18/48/390171848.db2.gz OIEADWQCMQAIRF-TUAOUCFPSA-N 2 2 262.419 0.739 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)S(C)(=O)=O)[C@@H](C)C1 ZINC000536833256 390171850 /nfs/dbraw/zinc/17/18/50/390171850.db2.gz OIEADWQCMQAIRF-TUAOUCFPSA-N 2 2 262.419 0.739 20 0 CCADLP Cc1cc(C[C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)[nH]n1 ZINC000579464936 390175212 /nfs/dbraw/zinc/17/52/12/390175212.db2.gz AYIRIKQWPXHUQL-HZMBPMFUSA-N 2 2 266.389 0.694 20 0 CCADLP Cc1cc(C[C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)[nH]n1 ZINC000579464936 390175215 /nfs/dbraw/zinc/17/52/15/390175215.db2.gz AYIRIKQWPXHUQL-HZMBPMFUSA-N 2 2 266.389 0.694 20 0 CCADLP Cc1cc(C[C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)n[nH]1 ZINC000579464936 390175218 /nfs/dbraw/zinc/17/52/18/390175218.db2.gz AYIRIKQWPXHUQL-HZMBPMFUSA-N 2 2 266.389 0.694 20 0 CCADLP Cc1cc(C[C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)n[nH]1 ZINC000579464936 390175221 /nfs/dbraw/zinc/17/52/21/390175221.db2.gz AYIRIKQWPXHUQL-HZMBPMFUSA-N 2 2 266.389 0.694 20 0 CCADLP Cc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c(C)[nH]1 ZINC000647872640 390201708 /nfs/dbraw/zinc/20/17/08/390201708.db2.gz LGVXNBWIEXSUFQ-NSHDSACASA-N 2 2 250.346 0.346 20 0 CCADLP Cc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c(C)[nH]1 ZINC000647872640 390201711 /nfs/dbraw/zinc/20/17/11/390201711.db2.gz LGVXNBWIEXSUFQ-NSHDSACASA-N 2 2 250.346 0.346 20 0 CCADLP CCC[N@@H+](CC(=O)N(C)C)C[C@H](O)C[NH+](C)C(C)C ZINC000647960175 390228184 /nfs/dbraw/zinc/22/81/84/390228184.db2.gz JWAHTWCKNBTDHC-CYBMUJFWSA-N 2 2 273.421 0.488 20 0 CCADLP CCC[N@H+](CC(=O)N(C)C)C[C@H](O)C[NH+](C)C(C)C ZINC000647960175 390228187 /nfs/dbraw/zinc/22/81/87/390228187.db2.gz JWAHTWCKNBTDHC-CYBMUJFWSA-N 2 2 273.421 0.488 20 0 CCADLP CCC[NH+](CC(=O)N(C)C)C[C@H](O)C[N@H+](C)C(C)C ZINC000647960175 390228190 /nfs/dbraw/zinc/22/81/90/390228190.db2.gz JWAHTWCKNBTDHC-CYBMUJFWSA-N 2 2 273.421 0.488 20 0 CCADLP CCC[NH+](CC(=O)N(C)C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000647960175 390228192 /nfs/dbraw/zinc/22/81/92/390228192.db2.gz JWAHTWCKNBTDHC-CYBMUJFWSA-N 2 2 273.421 0.488 20 0 CCADLP NC(=O)[C@@H]1c2ccccc2CC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647882716 390206477 /nfs/dbraw/zinc/20/64/77/390206477.db2.gz UZMDSDJOJJKRJC-RISCZKNCSA-N 2 2 259.353 0.681 20 0 CCADLP NC(=O)[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000647882716 390206479 /nfs/dbraw/zinc/20/64/79/390206479.db2.gz UZMDSDJOJJKRJC-RISCZKNCSA-N 2 2 259.353 0.681 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@H]([NH3+])C3CCC3)CC2)cc[nH+]1 ZINC000579825466 390211468 /nfs/dbraw/zinc/21/14/68/390211468.db2.gz ACLMGBMJTZSFTM-CQSZACIVSA-N 2 2 289.383 0.561 20 0 CCADLP CN1CCC[C@@H]([N@H+](C)C[C@H]2CCC[NH+](C)C2)C1=O ZINC000539808729 390211646 /nfs/dbraw/zinc/21/16/46/390211646.db2.gz ODXNJKWZGWEJAT-QWHCGFSZSA-N 2 2 253.390 0.881 20 0 CCADLP CN1CCC[C@@H]([N@@H+](C)C[C@H]2CCC[NH+](C)C2)C1=O ZINC000539808729 390211648 /nfs/dbraw/zinc/21/16/48/390211648.db2.gz ODXNJKWZGWEJAT-QWHCGFSZSA-N 2 2 253.390 0.881 20 0 CCADLP CN1CCC[C@@H]([NH+](C)C[C@H]2CCC[N@H+](C)C2)C1=O ZINC000539808729 390211653 /nfs/dbraw/zinc/21/16/53/390211653.db2.gz ODXNJKWZGWEJAT-QWHCGFSZSA-N 2 2 253.390 0.881 20 0 CCADLP CN1CCC[C@@H]([NH+](C)C[C@H]2CCC[N@@H+](C)C2)C1=O ZINC000539808729 390211655 /nfs/dbraw/zinc/21/16/55/390211655.db2.gz ODXNJKWZGWEJAT-QWHCGFSZSA-N 2 2 253.390 0.881 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)NC[C@@H]2CCC[NH+]2C)CCO1 ZINC000495140255 390218711 /nfs/dbraw/zinc/21/87/11/390218711.db2.gz NRKSYIVXMNHBTD-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)NC[C@@H]2CCC[NH+]2C)CCO1 ZINC000495140255 390218713 /nfs/dbraw/zinc/21/87/13/390218713.db2.gz NRKSYIVXMNHBTD-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H]1C[NH+](CCNC(=O)NC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC000495140255 390218714 /nfs/dbraw/zinc/21/87/14/390218714.db2.gz NRKSYIVXMNHBTD-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H]1C[NH+](CCNC(=O)NC[C@@H]2CCC[N@H+]2C)CCO1 ZINC000495140255 390218716 /nfs/dbraw/zinc/21/87/16/390218716.db2.gz NRKSYIVXMNHBTD-KBPBESRZSA-N 2 2 298.431 0.491 20 0 CCADLP CC1([NH3+])CC[NH+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000647925511 390219228 /nfs/dbraw/zinc/21/92/28/390219228.db2.gz LZEGADCWDSRGNS-KGLIPLIRSA-N 2 2 295.427 0.970 20 0 CCADLP Cc1nc(N(C)C)nc(NCC[C@H]2CCC[NH2+]2)[nH+]1 ZINC000580174510 390225533 /nfs/dbraw/zinc/22/55/33/390225533.db2.gz VSEXMEVNVZDXKT-SNVBAGLBSA-N 2 2 250.350 0.222 20 0 CCADLP Cc1nc(NCC[C@H]2CCC[NH2+]2)nc(N(C)C)[nH+]1 ZINC000580174510 390225535 /nfs/dbraw/zinc/22/55/35/390225535.db2.gz VSEXMEVNVZDXKT-SNVBAGLBSA-N 2 2 250.350 0.222 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000647955911 390225967 /nfs/dbraw/zinc/22/59/67/390225967.db2.gz MVZVOPOVFMERPJ-MRXNPFEDSA-N 2 2 293.411 0.827 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000647955911 390225969 /nfs/dbraw/zinc/22/59/69/390225969.db2.gz MVZVOPOVFMERPJ-MRXNPFEDSA-N 2 2 293.411 0.827 20 0 CCADLP C[C@H](CCCC[NH3+])NC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000494712393 390196479 /nfs/dbraw/zinc/19/64/79/390196479.db2.gz VHHUZFDPDAXRET-VXGBXAGGSA-N 2 2 257.378 0.341 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)CCn2cc[nH+]c2)[C@@H](C)C1 ZINC000281651175 195322993 /nfs/dbraw/zinc/32/29/93/195322993.db2.gz RLLILQFUMPTJFP-QWHCGFSZSA-N 2 2 280.372 0.187 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)CCn2cc[nH+]c2)[C@@H](C)C1 ZINC000281651175 195322994 /nfs/dbraw/zinc/32/29/94/195322994.db2.gz RLLILQFUMPTJFP-QWHCGFSZSA-N 2 2 280.372 0.187 20 0 CCADLP C[NH+]1CCN(Cc2cccc(-c3nc(C[NH3+])no3)c2)CC1 ZINC000580310738 390236544 /nfs/dbraw/zinc/23/65/44/390236544.db2.gz FQOIJMVIYFVBOG-UHFFFAOYSA-N 2 2 287.367 0.943 20 0 CCADLP CN1CC[NH+](Cc2cccc(-c3nc(C[NH3+])no3)c2)CC1 ZINC000580310738 390236549 /nfs/dbraw/zinc/23/65/49/390236549.db2.gz FQOIJMVIYFVBOG-UHFFFAOYSA-N 2 2 287.367 0.943 20 0 CCADLP CCOC[C@H](O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000580325036 390238708 /nfs/dbraw/zinc/23/87/08/390238708.db2.gz JQWQSWLEDBESIL-VXGBXAGGSA-N 2 2 253.346 0.607 20 0 CCADLP CCOC[C@H](O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000580325036 390238712 /nfs/dbraw/zinc/23/87/12/390238712.db2.gz JQWQSWLEDBESIL-VXGBXAGGSA-N 2 2 253.346 0.607 20 0 CCADLP CC[C@@H](C)NC(=O)CN1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647988491 390239615 /nfs/dbraw/zinc/23/96/15/390239615.db2.gz RJOSSQZKFJTYBT-KGLIPLIRSA-N 2 2 282.432 0.128 20 0 CCADLP CC[C@@H](C)NC(=O)C[NH+]1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000647988491 390239621 /nfs/dbraw/zinc/23/96/21/390239621.db2.gz RJOSSQZKFJTYBT-KGLIPLIRSA-N 2 2 282.432 0.128 20 0 CCADLP COCCOC[C@H](O)C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000644514969 390241993 /nfs/dbraw/zinc/24/19/93/390241993.db2.gz WNBXLRLXFOOOST-CQSZACIVSA-N 2 2 293.367 0.490 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C(=O)NC1CC1 ZINC000647964067 390230877 /nfs/dbraw/zinc/23/08/77/390230877.db2.gz PWKJXZNCVPBQFF-KBPBESRZSA-N 2 2 283.416 0.431 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1C(=O)NC1CC1 ZINC000647964067 390230881 /nfs/dbraw/zinc/23/08/81/390230881.db2.gz PWKJXZNCVPBQFF-KBPBESRZSA-N 2 2 283.416 0.431 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000647964067 390230886 /nfs/dbraw/zinc/23/08/86/390230886.db2.gz PWKJXZNCVPBQFF-KBPBESRZSA-N 2 2 283.416 0.431 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000647964067 390230888 /nfs/dbraw/zinc/23/08/88/390230888.db2.gz PWKJXZNCVPBQFF-KBPBESRZSA-N 2 2 283.416 0.431 20 0 CCADLP Cc1nc(N[C@H](C)C2=CC[N@@H+](C)CC2)nc(N(C)C)[nH+]1 ZINC000541893989 390252578 /nfs/dbraw/zinc/25/25/78/390252578.db2.gz XDZZBGKQHTWVAM-SNVBAGLBSA-N 2 2 276.388 0.730 20 0 CCADLP Cc1nc(N(C)C)nc(N[C@H](C)C2=CC[N@H+](C)CC2)[nH+]1 ZINC000541893989 390252580 /nfs/dbraw/zinc/25/25/80/390252580.db2.gz XDZZBGKQHTWVAM-SNVBAGLBSA-N 2 2 276.388 0.730 20 0 CCADLP Cc1nc(N(C)C)nc(N[C@H](C)C2=CC[N@@H+](C)CC2)[nH+]1 ZINC000541893989 390252582 /nfs/dbraw/zinc/25/25/82/390252582.db2.gz XDZZBGKQHTWVAM-SNVBAGLBSA-N 2 2 276.388 0.730 20 0 CCADLP CN1CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)C1=O ZINC000644572278 390256436 /nfs/dbraw/zinc/25/64/36/390256436.db2.gz YJDQFTFHXNXNMI-GJZGRUSLSA-N 2 2 291.395 0.300 20 0 CCADLP CN1CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1=O ZINC000644572278 390256439 /nfs/dbraw/zinc/25/64/39/390256439.db2.gz YJDQFTFHXNXNMI-GJZGRUSLSA-N 2 2 291.395 0.300 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@@H]21 ZINC000582183637 390267320 /nfs/dbraw/zinc/26/73/20/390267320.db2.gz USMRUBLPVGFRQA-DYEKYZERSA-N 2 2 274.368 0.608 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@@H]21 ZINC000582183637 390267322 /nfs/dbraw/zinc/26/73/22/390267322.db2.gz USMRUBLPVGFRQA-DYEKYZERSA-N 2 2 274.368 0.608 20 0 CCADLP CC1(C)CC[N@H+](CC(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000582250717 390274886 /nfs/dbraw/zinc/27/48/86/390274886.db2.gz AKTGIOMPRUXISI-UHFFFAOYSA-N 2 2 262.357 0.957 20 0 CCADLP CC1(C)CC[N@@H+](CC(=O)N2CCn3c[nH+]cc3C2)C1 ZINC000582250717 390274889 /nfs/dbraw/zinc/27/48/89/390274889.db2.gz AKTGIOMPRUXISI-UHFFFAOYSA-N 2 2 262.357 0.957 20 0 CCADLP COCCOCC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000543448704 390282683 /nfs/dbraw/zinc/28/26/83/390282683.db2.gz RIKNYERAZPZPQY-LBPRGKRZSA-N 2 2 253.346 0.872 20 0 CCADLP COCCOCC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000543448704 390282687 /nfs/dbraw/zinc/28/26/87/390282687.db2.gz RIKNYERAZPZPQY-LBPRGKRZSA-N 2 2 253.346 0.872 20 0 CCADLP COC(=O)c1csc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000593909952 390366795 /nfs/dbraw/zinc/36/67/95/390366795.db2.gz OLGPQNBYCWGNOY-SECBINFHSA-N 2 2 285.369 0.752 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@H](c2nnc[nH]2)C1)C1CC1 ZINC000583627279 390300251 /nfs/dbraw/zinc/30/02/51/390300251.db2.gz HWIONXOKANMSOX-JQWIXIFHSA-N 2 2 265.361 0.049 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H](c2nnc[nH]2)C1)C1CC1 ZINC000583627279 390300254 /nfs/dbraw/zinc/30/02/54/390300254.db2.gz HWIONXOKANMSOX-JQWIXIFHSA-N 2 2 265.361 0.049 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H](c2nnc[nH]2)C1)C1CC1 ZINC000583627279 390300256 /nfs/dbraw/zinc/30/02/56/390300256.db2.gz HWIONXOKANMSOX-JQWIXIFHSA-N 2 2 265.361 0.049 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@H](c2nnc[nH]2)C1)C1CC1 ZINC000583627279 390300257 /nfs/dbraw/zinc/30/02/57/390300257.db2.gz HWIONXOKANMSOX-JQWIXIFHSA-N 2 2 265.361 0.049 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC2(C)CCCC2)[C@@H](C[NH3+])C1 ZINC000583801829 390312256 /nfs/dbraw/zinc/31/22/56/390312256.db2.gz SCIKZWVMMNLPMJ-LBPRGKRZSA-N 2 2 268.405 0.851 20 0 CCADLP Cn1cc[nH+]c1CN1CCN(C(=O)C2([NH3+])CCCC2)CC1 ZINC000648152675 390314290 /nfs/dbraw/zinc/31/42/90/390314290.db2.gz WHOUPFVSYBONNF-UHFFFAOYSA-N 2 2 291.399 0.336 20 0 CCADLP C[N@@H+]1CCC[C@H](C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000583928618 390323715 /nfs/dbraw/zinc/32/37/15/390323715.db2.gz LSFBEVZPGUEUKB-BPLDGKMQSA-N 3 2 267.417 0.685 20 0 CCADLP C[N@H+]1CCC[C@H](C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000583928618 390323717 /nfs/dbraw/zinc/32/37/17/390323717.db2.gz LSFBEVZPGUEUKB-BPLDGKMQSA-N 3 2 267.417 0.685 20 0 CCADLP C[N@@H+]1CCC[C@H](CN[C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000583928618 390323720 /nfs/dbraw/zinc/32/37/20/390323720.db2.gz LSFBEVZPGUEUKB-BPLDGKMQSA-N 2 2 267.417 0.685 20 0 CCADLP C[N@H+]1CCC[C@H](CN[C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000583928618 390323722 /nfs/dbraw/zinc/32/37/22/390323722.db2.gz LSFBEVZPGUEUKB-BPLDGKMQSA-N 2 2 267.417 0.685 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)C(=O)NCC2 ZINC000584404804 390340902 /nfs/dbraw/zinc/34/09/02/390340902.db2.gz BCWLNCWBALMIEQ-KGLIPLIRSA-N 2 2 259.353 0.942 20 0 CCADLP COC1(C[NH2+]Cc2c[nH+]c(N(C)C)n2C)CCOCC1 ZINC000644902393 390342647 /nfs/dbraw/zinc/34/26/47/390342647.db2.gz ZOIHZRJPAUBDML-UHFFFAOYSA-N 2 2 282.388 0.771 20 0 CCADLP CN1C[C@@H](C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)OC1=O ZINC000496431562 390353037 /nfs/dbraw/zinc/35/30/37/390353037.db2.gz GDYXHDZAVZEZQQ-AAEUAGOBSA-N 2 2 253.346 0.465 20 0 CCADLP CN1C[C@@H](C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)OC1=O ZINC000496431562 390353043 /nfs/dbraw/zinc/35/30/43/390353043.db2.gz GDYXHDZAVZEZQQ-AAEUAGOBSA-N 2 2 253.346 0.465 20 0 CCADLP CN1C[C@@H](C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)OC1=O ZINC000496431562 390353048 /nfs/dbraw/zinc/35/30/48/390353048.db2.gz GDYXHDZAVZEZQQ-AAEUAGOBSA-N 2 2 253.346 0.465 20 0 CCADLP CN1C[C@@H](C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)OC1=O ZINC000496431562 390353051 /nfs/dbraw/zinc/35/30/51/390353051.db2.gz GDYXHDZAVZEZQQ-AAEUAGOBSA-N 2 2 253.346 0.465 20 0 CCADLP O[C@@H]1CC[N@H+](CCNc2cc(NCC3CC3)[nH+]cn2)C1 ZINC000624680653 390401916 /nfs/dbraw/zinc/40/19/16/390401916.db2.gz YVFNIDOCFDXWTQ-GFCCVEGCSA-N 2 2 277.372 0.199 20 0 CCADLP O[C@@H]1CC[N@@H+](CCNc2cc(NCC3CC3)[nH+]cn2)C1 ZINC000624680653 390401922 /nfs/dbraw/zinc/40/19/22/390401922.db2.gz YVFNIDOCFDXWTQ-GFCCVEGCSA-N 2 2 277.372 0.199 20 0 CCADLP Cn1cc([C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@H]2[NH3+])cn1 ZINC000631829154 390409115 /nfs/dbraw/zinc/40/91/15/390409115.db2.gz IQMBJKSIGOWFJP-HZSPNIEDSA-N 2 2 264.373 0.716 20 0 CCADLP Cn1cc([C@@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@H]2[NH3+])cn1 ZINC000631829154 390409119 /nfs/dbraw/zinc/40/91/19/390409119.db2.gz IQMBJKSIGOWFJP-HZSPNIEDSA-N 2 2 264.373 0.716 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@H](CN2CCOC2=O)C1)C1CC1 ZINC000497070107 390412643 /nfs/dbraw/zinc/41/26/43/390412643.db2.gz HCRJDEXGKDNXPD-GXTWGEPZSA-N 2 2 297.399 0.216 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@H](CN2CCOC2=O)C1)C1CC1 ZINC000497070107 390412644 /nfs/dbraw/zinc/41/26/44/390412644.db2.gz HCRJDEXGKDNXPD-GXTWGEPZSA-N 2 2 297.399 0.216 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@H](CN2CCOC2=O)C1)C1CC1 ZINC000497070107 390412645 /nfs/dbraw/zinc/41/26/45/390412645.db2.gz HCRJDEXGKDNXPD-GXTWGEPZSA-N 2 2 297.399 0.216 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@H](CN2CCOC2=O)C1)C1CC1 ZINC000497070107 390412646 /nfs/dbraw/zinc/41/26/46/390412646.db2.gz HCRJDEXGKDNXPD-GXTWGEPZSA-N 2 2 297.399 0.216 20 0 CCADLP CC(C)([NH3+])CC(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000645398731 390419818 /nfs/dbraw/zinc/41/98/18/390419818.db2.gz VOUCMBLYUKKWIO-UHFFFAOYSA-N 2 2 292.383 0.662 20 0 CCADLP NC(=O)CC[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000554184746 390421891 /nfs/dbraw/zinc/42/18/91/390421891.db2.gz QVYVBJDQEROYHI-UHFFFAOYSA-N 2 2 262.288 0.976 20 0 CCADLP C[C@@H]([NH3+])C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000554288233 390424144 /nfs/dbraw/zinc/42/41/44/390424144.db2.gz XYHPDCFJVSJIHE-CYBMUJFWSA-N 2 2 276.384 0.272 20 0 CCADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000645492790 390437788 /nfs/dbraw/zinc/43/77/88/390437788.db2.gz ZCEHSILLUHKYFG-PWSUYJOCSA-N 2 2 262.357 0.762 20 0 CCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000547675104 390390135 /nfs/dbraw/zinc/39/01/35/390390135.db2.gz GJSVYJSCDFPFDN-OLZOCXBDSA-N 2 2 291.399 0.934 20 0 CCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000547675104 390390138 /nfs/dbraw/zinc/39/01/38/390390138.db2.gz GJSVYJSCDFPFDN-OLZOCXBDSA-N 2 2 291.399 0.934 20 0 CCADLP CCNC(=O)N1CC[C@H]([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000643467006 390450063 /nfs/dbraw/zinc/45/00/63/390450063.db2.gz IDDBKGJHUVTUJC-MJBXVCDLSA-N 2 2 296.415 0.147 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000643471628 390450694 /nfs/dbraw/zinc/45/06/94/390450694.db2.gz VNHNBKLPDNIZIL-KGLIPLIRSA-N 3 2 268.449 0.600 20 0 CCADLP OC[C@H]1CC[C@@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000643470982 390451018 /nfs/dbraw/zinc/45/10/18/390451018.db2.gz DGYGNXDEUSBGLY-PMOUVXMZSA-N 2 2 268.401 0.894 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000643472167 390451486 /nfs/dbraw/zinc/45/14/86/390451486.db2.gz CQOWYMAWGDFPMC-OLZOCXBDSA-N 3 2 268.405 0.010 20 0 CCADLP C[NH+]1CCN(C(=O)CN[C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000643472167 390451488 /nfs/dbraw/zinc/45/14/88/390451488.db2.gz CQOWYMAWGDFPMC-OLZOCXBDSA-N 2 2 268.405 0.010 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000643472120 390451599 /nfs/dbraw/zinc/45/15/99/390451599.db2.gz UBINSECDDDBLMN-BNOWGMLFSA-N 2 2 278.400 0.840 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)Nc1ccc(N(C)CCO)c[nH+]1 ZINC000643478616 390453395 /nfs/dbraw/zinc/45/33/95/390453395.db2.gz NPXZXBWZGHFCAP-OLZOCXBDSA-N 2 2 294.399 0.689 20 0 CCADLP CCOCC[C@@H](O)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000519596535 390515216 /nfs/dbraw/zinc/51/52/16/390515216.db2.gz JPGLJLDCIYZTKR-VXGBXAGGSA-N 2 2 253.346 0.575 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCCn1cc[nH+]c1 ZINC000555879599 390467816 /nfs/dbraw/zinc/46/78/16/390467816.db2.gz DGZOVOGHLHCOEQ-CYBMUJFWSA-N 3 2 254.378 0.518 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCCn1cc[nH+]c1 ZINC000555879599 390467818 /nfs/dbraw/zinc/46/78/18/390467818.db2.gz DGZOVOGHLHCOEQ-CYBMUJFWSA-N 3 2 254.378 0.518 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000555879599 390467821 /nfs/dbraw/zinc/46/78/21/390467821.db2.gz DGZOVOGHLHCOEQ-CYBMUJFWSA-N 3 2 254.378 0.518 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000555879599 390467823 /nfs/dbraw/zinc/46/78/23/390467823.db2.gz DGZOVOGHLHCOEQ-CYBMUJFWSA-N 3 2 254.378 0.518 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCCn1ccnc1 ZINC000555879599 390467826 /nfs/dbraw/zinc/46/78/26/390467826.db2.gz DGZOVOGHLHCOEQ-CYBMUJFWSA-N 2 2 254.378 0.518 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCCn1ccnc1 ZINC000555879599 390467829 /nfs/dbraw/zinc/46/78/29/390467829.db2.gz DGZOVOGHLHCOEQ-CYBMUJFWSA-N 2 2 254.378 0.518 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCCn1ccnc1 ZINC000555879599 390467831 /nfs/dbraw/zinc/46/78/31/390467831.db2.gz DGZOVOGHLHCOEQ-CYBMUJFWSA-N 2 2 254.378 0.518 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCCn1ccnc1 ZINC000555879599 390467833 /nfs/dbraw/zinc/46/78/33/390467833.db2.gz DGZOVOGHLHCOEQ-CYBMUJFWSA-N 2 2 254.378 0.518 20 0 CCADLP CC[C@@H](Cn1cncn1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000516354559 390481244 /nfs/dbraw/zinc/48/12/44/390481244.db2.gz SFXKYEWLSFCRNL-QWRGUYRKSA-N 2 2 260.345 0.927 20 0 CCADLP CC[C@@H](Cn1cncn1)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000516354559 390481245 /nfs/dbraw/zinc/48/12/45/390481245.db2.gz SFXKYEWLSFCRNL-QWRGUYRKSA-N 2 2 260.345 0.927 20 0 CCADLP CNC(=O)[C@@]1(COC)CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000643829888 390578707 /nfs/dbraw/zinc/57/87/07/390578707.db2.gz PUITVHWXAHFCLS-AWEZNQCLSA-N 2 2 280.372 0.190 20 0 CCADLP CNC(=O)[C@@]1(COC)CCC[N@H+]1CCc1c[nH+]cn1C ZINC000643829888 390578709 /nfs/dbraw/zinc/57/87/09/390578709.db2.gz PUITVHWXAHFCLS-AWEZNQCLSA-N 2 2 280.372 0.190 20 0 CCADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)CC3(C[NH3+])CC3)C2)CC1 ZINC000566179419 390592380 /nfs/dbraw/zinc/59/23/80/390592380.db2.gz WPSDOSRSDJCCKL-CQSZACIVSA-N 2 2 294.443 0.354 20 0 CCADLP CC[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)CC)C[C@@]2(CCOC2)O1 ZINC000519711723 390533379 /nfs/dbraw/zinc/53/33/79/390533379.db2.gz ZPNBYSYHQHDGTF-RBSFLKMASA-N 2 2 286.416 0.569 20 0 CCADLP CC[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)CC)C[C@@]2(CCOC2)O1 ZINC000519711723 390533386 /nfs/dbraw/zinc/53/33/86/390533386.db2.gz ZPNBYSYHQHDGTF-RBSFLKMASA-N 2 2 286.416 0.569 20 0 CCADLP CC[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)CC)C[C@@]2(CCOC2)O1 ZINC000519711723 390533391 /nfs/dbraw/zinc/53/33/91/390533391.db2.gz ZPNBYSYHQHDGTF-RBSFLKMASA-N 2 2 286.416 0.569 20 0 CCADLP CC[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)CC)C[C@@]2(CCOC2)O1 ZINC000519711723 390533399 /nfs/dbraw/zinc/53/33/99/390533399.db2.gz ZPNBYSYHQHDGTF-RBSFLKMASA-N 2 2 286.416 0.569 20 0 CCADLP Cc1cccn2cc(CC(=O)N(C)CCC[NH3+])[nH+]c12 ZINC000649273213 390542032 /nfs/dbraw/zinc/54/20/32/390542032.db2.gz WCTUDNWSGNILCS-UHFFFAOYSA-N 2 2 260.341 0.992 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000519834155 390552489 /nfs/dbraw/zinc/55/24/89/390552489.db2.gz QBFGEWQTVVNMBL-RYUDHWBXSA-N 2 2 250.346 0.728 20 0 CCADLP CCC[N@@H+](CC(=O)N(C)C)C[C@H](O)C[NH+](C)CC ZINC000565870744 390553430 /nfs/dbraw/zinc/55/34/30/390553430.db2.gz BKOSXCIZZDPSHT-GFCCVEGCSA-N 2 2 259.394 0.099 20 0 CCADLP CCC[N@H+](CC(=O)N(C)C)C[C@H](O)C[NH+](C)CC ZINC000565870744 390553432 /nfs/dbraw/zinc/55/34/32/390553432.db2.gz BKOSXCIZZDPSHT-GFCCVEGCSA-N 2 2 259.394 0.099 20 0 CCADLP CCC[NH+](CC(=O)N(C)C)C[C@H](O)C[N@H+](C)CC ZINC000565870744 390553434 /nfs/dbraw/zinc/55/34/34/390553434.db2.gz BKOSXCIZZDPSHT-GFCCVEGCSA-N 2 2 259.394 0.099 20 0 CCADLP CCC[NH+](CC(=O)N(C)C)C[C@H](O)C[N@@H+](C)CC ZINC000565870744 390553436 /nfs/dbraw/zinc/55/34/36/390553436.db2.gz BKOSXCIZZDPSHT-GFCCVEGCSA-N 2 2 259.394 0.099 20 0 CCADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)COCC[NH3+])CC1 ZINC000645996689 390562863 /nfs/dbraw/zinc/56/28/63/390562863.db2.gz DIMSMOZCVTWGLY-CYBMUJFWSA-N 2 2 292.383 0.262 20 0 CCADLP CC1(C)C[NH2+][C@H]1C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000649303583 390563494 /nfs/dbraw/zinc/56/34/94/390563494.db2.gz IFCOQUGQFGSZLV-OLZOCXBDSA-N 2 2 281.400 0.308 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC(C(C)(C)C)C1 ZINC000566481680 390620335 /nfs/dbraw/zinc/62/03/35/390620335.db2.gz ONDVZDOBXAQDQW-ZDUSSCGKSA-N 2 2 258.406 0.903 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC(C(C)(C)C)C1 ZINC000566481680 390620337 /nfs/dbraw/zinc/62/03/37/390620337.db2.gz ONDVZDOBXAQDQW-ZDUSSCGKSA-N 2 2 258.406 0.903 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3cnc(C4CC4)s3)CCN2C1=O ZINC000566491701 390622825 /nfs/dbraw/zinc/62/28/25/390622825.db2.gz WTUFYOIDVKOFEP-JQWIXIFHSA-N 2 2 292.408 0.764 20 0 CCADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3cnc(C4CC4)s3)CCN2C1=O ZINC000566491701 390622829 /nfs/dbraw/zinc/62/28/29/390622829.db2.gz WTUFYOIDVKOFEP-JQWIXIFHSA-N 2 2 292.408 0.764 20 0 CCADLP OCC[N@@H+]1CCCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000566960656 390661338 /nfs/dbraw/zinc/66/13/38/390661338.db2.gz JYJUHSMADZWIBW-UHFFFAOYSA-N 2 2 277.372 0.555 20 0 CCADLP OCC[N@H+]1CCCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000566960656 390661340 /nfs/dbraw/zinc/66/13/40/390661340.db2.gz JYJUHSMADZWIBW-UHFFFAOYSA-N 2 2 277.372 0.555 20 0 CCADLP C[N@H+](CCNC(=O)[C@@H]([NH3+])c1cscn1)C1CC1 ZINC000566972339 390662995 /nfs/dbraw/zinc/66/29/95/390662995.db2.gz XRGURRRWTIEAQE-JTQLQIEISA-N 2 2 254.359 0.353 20 0 CCADLP C[N@@H+](CCNC(=O)[C@@H]([NH3+])c1cscn1)C1CC1 ZINC000566972339 390662997 /nfs/dbraw/zinc/66/29/97/390662997.db2.gz XRGURRRWTIEAQE-JTQLQIEISA-N 2 2 254.359 0.353 20 0 CCADLP Cc1nn2c(C[NH2+]C[C@@H]3C[NH2+]CCN3C)c(C)nc2s1 ZINC000566902865 390657383 /nfs/dbraw/zinc/65/73/83/390657383.db2.gz RNCRYADBFSTDDE-NSHDSACASA-N 2 2 294.428 0.401 20 0 CCADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000521212639 390599904 /nfs/dbraw/zinc/59/99/04/390599904.db2.gz CJSAXWWVORPENJ-VIFPVBQESA-N 2 2 277.294 0.422 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCOCC2(CCC2)C1 ZINC000566417499 390600143 /nfs/dbraw/zinc/60/01/43/390600143.db2.gz VRGUYGATXXPTTM-CQSZACIVSA-N 2 2 286.416 0.428 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCOCC2(CCC2)C1 ZINC000566417499 390600147 /nfs/dbraw/zinc/60/01/47/390600147.db2.gz VRGUYGATXXPTTM-CQSZACIVSA-N 2 2 286.416 0.428 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCOCC2(CCC2)C1 ZINC000566417499 390600151 /nfs/dbraw/zinc/60/01/51/390600151.db2.gz VRGUYGATXXPTTM-CQSZACIVSA-N 2 2 286.416 0.428 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCOCC2(CCC2)C1 ZINC000566417499 390600156 /nfs/dbraw/zinc/60/01/56/390600156.db2.gz VRGUYGATXXPTTM-CQSZACIVSA-N 2 2 286.416 0.428 20 0 CCADLP Cn1cc(C[NH+]2CCN(C(=O)CCC(C)(C)[NH3+])CC2)cn1 ZINC000649352000 390603307 /nfs/dbraw/zinc/60/33/07/390603307.db2.gz FOBDTLCONLHNIU-UHFFFAOYSA-N 2 2 293.415 0.582 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](OC)C(C)(C)C1 ZINC000566429554 390605066 /nfs/dbraw/zinc/60/50/66/390605066.db2.gz VPHDCYYFSHCWIO-KBPBESRZSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](OC)C(C)(C)C1 ZINC000566429554 390605067 /nfs/dbraw/zinc/60/50/67/390605067.db2.gz VPHDCYYFSHCWIO-KBPBESRZSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000566429554 390605068 /nfs/dbraw/zinc/60/50/68/390605068.db2.gz VPHDCYYFSHCWIO-KBPBESRZSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000566429554 390605073 /nfs/dbraw/zinc/60/50/73/390605073.db2.gz VPHDCYYFSHCWIO-KBPBESRZSA-N 2 2 288.432 0.672 20 0 CCADLP Cn1nccc1CC[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 ZINC000643959708 390607367 /nfs/dbraw/zinc/60/73/67/390607367.db2.gz DOARJWFPECMETB-KFWWJZLASA-N 2 2 278.400 0.540 20 0 CCADLP Cn1nccc1CC[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1 ZINC000643959708 390607371 /nfs/dbraw/zinc/60/73/71/390607371.db2.gz DOARJWFPECMETB-KFWWJZLASA-N 2 2 278.400 0.540 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1)C(F)(F)F ZINC000643961163 390608437 /nfs/dbraw/zinc/60/84/37/390608437.db2.gz RBBCKGJMPXLDMH-CHWFTXMASA-N 2 2 282.306 0.487 20 0 CCADLP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1)C(F)(F)F ZINC000643961163 390608442 /nfs/dbraw/zinc/60/84/42/390608442.db2.gz RBBCKGJMPXLDMH-CHWFTXMASA-N 2 2 282.306 0.487 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1)C(F)(F)F ZINC000643961165 390608961 /nfs/dbraw/zinc/60/89/61/390608961.db2.gz RBBCKGJMPXLDMH-ZNSHCXBVSA-N 2 2 282.306 0.487 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1)C(F)(F)F ZINC000643961165 390608964 /nfs/dbraw/zinc/60/89/64/390608964.db2.gz RBBCKGJMPXLDMH-ZNSHCXBVSA-N 2 2 282.306 0.487 20 0 CCADLP O[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2[NH2+]CCn2cc[nH+]c2)C1 ZINC000643960907 390609042 /nfs/dbraw/zinc/60/90/42/390609042.db2.gz IQERGVSLCOXNDR-MJBXVCDLSA-N 3 2 264.373 0.460 20 0 CCADLP O[C@H]1CC[N@H+]([C@H]2CCC[C@H]2[NH2+]CCn2cc[nH+]c2)C1 ZINC000643960907 390609044 /nfs/dbraw/zinc/60/90/44/390609044.db2.gz IQERGVSLCOXNDR-MJBXVCDLSA-N 3 2 264.373 0.460 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000566452898 390610900 /nfs/dbraw/zinc/61/09/00/390610900.db2.gz LWFPTUBQWQVNCV-KGLIPLIRSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000566452898 390610903 /nfs/dbraw/zinc/61/09/03/390610903.db2.gz LWFPTUBQWQVNCV-KGLIPLIRSA-N 2 2 283.416 0.507 20 0 CCADLP COCCOC[C@H](O)C[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000649379857 390612144 /nfs/dbraw/zinc/61/21/44/390612144.db2.gz QWOSLEZZYIGZGR-ZIAGYGMSSA-N 2 2 274.405 0.473 20 0 CCADLP COCCOC[C@H](O)C[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000649379857 390612148 /nfs/dbraw/zinc/61/21/48/390612148.db2.gz QWOSLEZZYIGZGR-ZIAGYGMSSA-N 2 2 274.405 0.473 20 0 CCADLP Cn1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])n1 ZINC000567613199 390706869 /nfs/dbraw/zinc/70/68/69/390706869.db2.gz RRUSUZWMAKLOAO-ZDUSSCGKSA-N 2 2 279.388 0.240 20 0 CCADLP Cn1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])n1 ZINC000567613199 390706871 /nfs/dbraw/zinc/70/68/71/390706871.db2.gz RRUSUZWMAKLOAO-ZDUSSCGKSA-N 2 2 279.388 0.240 20 0 CCADLP CCc1ccccc1OCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000646835446 390726122 /nfs/dbraw/zinc/72/61/22/390726122.db2.gz FANWMGOSGQVEAE-AWEZNQCLSA-N 2 2 291.395 0.729 20 0 CCADLP CCc1ccccc1OCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000646835446 390726123 /nfs/dbraw/zinc/72/61/23/390726123.db2.gz FANWMGOSGQVEAE-AWEZNQCLSA-N 2 2 291.395 0.729 20 0 CCADLP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+]([C@@H]2COC[C@H]2O)C1 ZINC000567007421 390665080 /nfs/dbraw/zinc/66/50/80/390665080.db2.gz GMYJGGMXJLEUFH-ARFHVFGLSA-N 2 2 291.395 0.595 20 0 CCADLP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+]([C@@H]2COC[C@H]2O)C1 ZINC000567007421 390665082 /nfs/dbraw/zinc/66/50/82/390665082.db2.gz GMYJGGMXJLEUFH-ARFHVFGLSA-N 2 2 291.395 0.595 20 0 CCADLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+]([C@@H]2COC[C@H]2O)C1 ZINC000567007421 390665084 /nfs/dbraw/zinc/66/50/84/390665084.db2.gz GMYJGGMXJLEUFH-ARFHVFGLSA-N 2 2 291.395 0.595 20 0 CCADLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+]([C@@H]2COC[C@H]2O)C1 ZINC000567007421 390665086 /nfs/dbraw/zinc/66/50/86/390665086.db2.gz GMYJGGMXJLEUFH-ARFHVFGLSA-N 2 2 291.395 0.595 20 0 CCADLP [NH3+][C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1cscn1 ZINC000646330737 390666100 /nfs/dbraw/zinc/66/61/00/390666100.db2.gz JVMOCXAQURRBBG-WCABBAIRSA-N 2 2 266.370 0.496 20 0 CCADLP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCCn1cc[nH+]c1 ZINC000567487853 390701394 /nfs/dbraw/zinc/70/13/94/390701394.db2.gz IKPXAOAZGFGKGU-GFCCVEGCSA-N 2 2 265.361 0.619 20 0 CCADLP CN(C[C@H]1CCC[N@H+]1C)C(=O)NCCn1cc[nH+]c1 ZINC000567487853 390701395 /nfs/dbraw/zinc/70/13/95/390701395.db2.gz IKPXAOAZGFGKGU-GFCCVEGCSA-N 2 2 265.361 0.619 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000571894568 390757932 /nfs/dbraw/zinc/75/79/32/390757932.db2.gz GUDRYWDEXIFMEJ-NSHDSACASA-N 2 2 262.357 0.895 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[NH+]2CCC1CC2 ZINC000571894568 390757935 /nfs/dbraw/zinc/75/79/35/390757935.db2.gz GUDRYWDEXIFMEJ-NSHDSACASA-N 2 2 262.357 0.895 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccnn1 ZINC000528561747 390758612 /nfs/dbraw/zinc/75/86/12/390758612.db2.gz SBMBJJOZHOJYHK-UHFFFAOYSA-N 2 2 291.399 0.575 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccnn1 ZINC000528561747 390758614 /nfs/dbraw/zinc/75/86/14/390758614.db2.gz SBMBJJOZHOJYHK-UHFFFAOYSA-N 2 2 291.399 0.575 20 0 CCADLP [NH3+]CC1(NC(=O)Nc2ccn3cc[nH+]c3c2)CCOCC1 ZINC000528686832 390768804 /nfs/dbraw/zinc/76/88/04/390768804.db2.gz DKDXQYRXRGKHMT-UHFFFAOYSA-N 2 2 289.339 0.964 20 0 CCADLP CC[C@H](O)C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528726895 390771641 /nfs/dbraw/zinc/77/16/41/390771641.db2.gz MAYQFTKPXYPWBP-ZDUSSCGKSA-N 2 2 256.390 0.944 20 0 CCADLP CC[C@@H](O)C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528728267 390771678 /nfs/dbraw/zinc/77/16/78/390771678.db2.gz MAYQFTKPXYPWBP-CYBMUJFWSA-N 2 2 256.390 0.944 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1(C)C ZINC000572378127 390780992 /nfs/dbraw/zinc/78/09/92/390780992.db2.gz XZQTUHHGKUHERO-UHFFFAOYSA-N 2 2 250.346 0.895 20 0 CCADLP C[N@H+]1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1(C)C ZINC000572378127 390780996 /nfs/dbraw/zinc/78/09/96/390780996.db2.gz XZQTUHHGKUHERO-UHFFFAOYSA-N 2 2 250.346 0.895 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C)[C@H]1CO ZINC000572493806 390786256 /nfs/dbraw/zinc/78/62/56/390786256.db2.gz AVWXLPQJOHEALE-HZSPNIEDSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C)[C@H]1CO ZINC000572493806 390786259 /nfs/dbraw/zinc/78/62/59/390786259.db2.gz AVWXLPQJOHEALE-HZSPNIEDSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](C)[C@H]1CO ZINC000572493806 390786260 /nfs/dbraw/zinc/78/62/60/390786260.db2.gz AVWXLPQJOHEALE-HZSPNIEDSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](C)[C@H]1CO ZINC000572493806 390786263 /nfs/dbraw/zinc/78/62/63/390786263.db2.gz AVWXLPQJOHEALE-HZSPNIEDSA-N 2 2 274.405 0.018 20 0 CCADLP CN(C)c1ncc(C[NH2+]C2(CCO)CC[NH+](C)CC2)cn1 ZINC000572542216 390789168 /nfs/dbraw/zinc/78/91/68/390789168.db2.gz XDTLQXLKXLNYIZ-UHFFFAOYSA-N 2 2 293.415 0.479 20 0 CCADLP C[NH+]1CCN(c2ncc(CNc3c[nH]c[nH+]3)cn2)CC1 ZINC000572711559 390797890 /nfs/dbraw/zinc/79/78/90/390797890.db2.gz UHTYOXQYMLBNSU-UHFFFAOYSA-N 2 2 273.344 0.564 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000529207724 390798082 /nfs/dbraw/zinc/79/80/82/390798082.db2.gz LLLMYRWTJWIQPI-UHFFFAOYSA-N 2 2 294.399 0.761 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000529207724 390798084 /nfs/dbraw/zinc/79/80/84/390798084.db2.gz LLLMYRWTJWIQPI-UHFFFAOYSA-N 2 2 294.399 0.761 20 0 CCADLP O=C(NCc1cn2ccccc2[nH+]1)NC[C@H]1COCC[NH2+]1 ZINC000529287668 390802330 /nfs/dbraw/zinc/80/23/30/390802330.db2.gz ZPXVQHIWVRSUDE-LBPRGKRZSA-N 2 2 289.339 0.122 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCN(C)C(=O)C1(C)C ZINC000571533645 390740551 /nfs/dbraw/zinc/74/05/51/390740551.db2.gz XLDTXGXWLNFOMV-UHFFFAOYSA-N 2 2 264.373 0.905 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCN(C)C(=O)C1(C)C ZINC000571533645 390740555 /nfs/dbraw/zinc/74/05/55/390740555.db2.gz XLDTXGXWLNFOMV-UHFFFAOYSA-N 2 2 264.373 0.905 20 0 CCADLP CN(C)[C@H](C(=O)N(C)CC[N@H+](C)C1CC1)c1c[nH+]cn1C ZINC000646959712 390749107 /nfs/dbraw/zinc/74/91/07/390749107.db2.gz DORDFUSBXWNGHD-AWEZNQCLSA-N 2 2 293.415 0.575 20 0 CCADLP CN(C)[C@H](C(=O)N(C)CC[N@@H+](C)C1CC1)c1c[nH+]cn1C ZINC000646959712 390749109 /nfs/dbraw/zinc/74/91/09/390749109.db2.gz DORDFUSBXWNGHD-AWEZNQCLSA-N 2 2 293.415 0.575 20 0 CCADLP CN(CC(C)(C)C)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000577955697 390855382 /nfs/dbraw/zinc/85/53/82/390855382.db2.gz DMWXMHWBBLVYGZ-NSHDSACASA-N 2 2 256.394 0.659 20 0 CCADLP CN(CC(C)(C)C)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000577955697 390855385 /nfs/dbraw/zinc/85/53/85/390855385.db2.gz DMWXMHWBBLVYGZ-NSHDSACASA-N 2 2 256.394 0.659 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000578141462 390866998 /nfs/dbraw/zinc/86/69/98/390866998.db2.gz LKAJOGSQOJWLLG-NWDGAFQWSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000578141462 390867000 /nfs/dbraw/zinc/86/70/00/390867000.db2.gz LKAJOGSQOJWLLG-NWDGAFQWSA-N 2 2 262.357 0.656 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000578244792 390873276 /nfs/dbraw/zinc/87/32/76/390873276.db2.gz KMGZGUGENMDMDU-GFCCVEGCSA-N 2 2 286.401 0.106 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000578244792 390873277 /nfs/dbraw/zinc/87/32/77/390873277.db2.gz KMGZGUGENMDMDU-GFCCVEGCSA-N 2 2 286.401 0.106 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000529362425 390818584 /nfs/dbraw/zinc/81/85/84/390818584.db2.gz FDXUTCRZZBVBIE-OCCSQVGLSA-N 2 2 292.383 0.513 20 0 CCADLP NC(=O)CC[NH2+]C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000647532356 390835142 /nfs/dbraw/zinc/83/51/42/390835142.db2.gz VLLPEZCSBNZNTC-KBPBESRZSA-N 2 2 277.368 0.087 20 0 CCADLP NC(=O)CC[NH2+]C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000647532356 390835144 /nfs/dbraw/zinc/83/51/44/390835144.db2.gz VLLPEZCSBNZNTC-KBPBESRZSA-N 2 2 277.368 0.087 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2CCC[C@@H]2CO)C[C@@H](C)O1 ZINC000647537021 390835796 /nfs/dbraw/zinc/83/57/96/390835796.db2.gz ARDJEFDDPJAEGW-KJWHEZOQSA-N 2 2 286.416 0.207 20 0 CCADLP C[C@@H]([NH2+][C@H]1C[NH2+]C[C@@H](C)C1)[C@@H](C)N1CCOCC1 ZINC000647549599 390840050 /nfs/dbraw/zinc/84/00/50/390840050.db2.gz JBZCTYUZFGUFRH-REWJHTLYSA-N 2 2 255.406 0.683 20 0 CCADLP C[C@@H](N[C@H]1C[NH2+]C[C@@H](C)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000647549599 390840052 /nfs/dbraw/zinc/84/00/52/390840052.db2.gz JBZCTYUZFGUFRH-REWJHTLYSA-N 2 2 255.406 0.683 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@H]2C[C@H]3CCCCN3C2=O)C1 ZINC000647551875 390840750 /nfs/dbraw/zinc/84/07/50/390840750.db2.gz UJWCUEHKHIZWED-LOWDOPEQSA-N 2 2 251.374 0.727 20 0 CCADLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000577832741 390847129 /nfs/dbraw/zinc/84/71/29/390847129.db2.gz FZFAVCWBMFKMND-MQYQWHSLSA-N 2 2 288.351 0.462 20 0 CCADLP CC[NH+]1C[C@@H](C)N(C(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC000578452901 390885643 /nfs/dbraw/zinc/88/56/43/390885643.db2.gz YAYYJNRXOQJWSM-VXGBXAGGSA-N 2 2 264.373 0.904 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533866486 390886982 /nfs/dbraw/zinc/88/69/82/390886982.db2.gz ICUVROYZJBMKCJ-GHMZBOCLSA-N 2 2 293.371 0.444 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533866486 390886985 /nfs/dbraw/zinc/88/69/85/390886985.db2.gz ICUVROYZJBMKCJ-GHMZBOCLSA-N 2 2 293.371 0.444 20 0 CCADLP [NH3+][C@H](C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cscn1 ZINC000578536686 390890916 /nfs/dbraw/zinc/89/09/16/390890916.db2.gz KTNPTGZHIGUWSU-WCQGTBRESA-N 2 2 280.397 0.886 20 0 CCADLP [NH3+][C@H](C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cscn1 ZINC000578536686 390890917 /nfs/dbraw/zinc/89/09/17/390890917.db2.gz KTNPTGZHIGUWSU-WCQGTBRESA-N 2 2 280.397 0.886 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)C[NH+](C)[C@@H]1CCSC1 ZINC000578570613 390892884 /nfs/dbraw/zinc/89/28/84/390892884.db2.gz CLQOVNLSXXXENH-QWHCGFSZSA-N 2 2 285.457 0.976 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)C[NH+](C)[C@@H]1CCSC1 ZINC000578570613 390892885 /nfs/dbraw/zinc/89/28/85/390892885.db2.gz CLQOVNLSXXXENH-QWHCGFSZSA-N 2 2 285.457 0.976 20 0 CCADLP CC[C@H]1C[NH+](C)CCN1C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000578570613 390892887 /nfs/dbraw/zinc/89/28/87/390892887.db2.gz CLQOVNLSXXXENH-QWHCGFSZSA-N 2 2 285.457 0.976 20 0 CCADLP CC[C@H]1C[NH+](C)CCN1C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000578570613 390892888 /nfs/dbraw/zinc/89/28/88/390892888.db2.gz CLQOVNLSXXXENH-QWHCGFSZSA-N 2 2 285.457 0.976 20 0 CCADLP CC(C)(C[NH+]1CCOCC1)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000578786271 390902676 /nfs/dbraw/zinc/90/26/76/390902676.db2.gz FVQCKRZUSOBELM-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP CC(C)(C[NH+]1CCOCC1)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000578786271 390902678 /nfs/dbraw/zinc/90/26/78/390902678.db2.gz FVQCKRZUSOBELM-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529290130 285439073 /nfs/dbraw/zinc/43/90/73/285439073.db2.gz JPSXIKQXEPRVOS-VXGBXAGGSA-N 2 2 277.372 0.855 20 0 CCADLP CCOC(=O)C[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000341893325 130136518 /nfs/dbraw/zinc/13/65/18/130136518.db2.gz HDXALHUDRSPLOO-CYBMUJFWSA-N 2 2 272.389 0.982 20 0 CCADLP CCOC(=O)C[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000341893325 130136520 /nfs/dbraw/zinc/13/65/20/130136520.db2.gz HDXALHUDRSPLOO-CYBMUJFWSA-N 2 2 272.389 0.982 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000192104945 130372208 /nfs/dbraw/zinc/37/22/08/130372208.db2.gz ZEEKJLMGXFHKFR-GHMZBOCLSA-N 2 2 257.378 0.197 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000192104945 130372210 /nfs/dbraw/zinc/37/22/10/130372210.db2.gz ZEEKJLMGXFHKFR-GHMZBOCLSA-N 2 2 257.378 0.197 20 0 CCADLP O=C(NC[C@H]1COCC[NH2+]1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000529382557 285461080 /nfs/dbraw/zinc/46/10/80/285461080.db2.gz UMNIJNBBJIHXQA-LBPRGKRZSA-N 2 2 293.371 0.287 20 0 CCADLP COc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1O ZINC000358168611 533671856 /nfs/dbraw/zinc/67/18/56/533671856.db2.gz OPMHDQRUEKFOHR-CQSZACIVSA-N 2 2 266.341 0.557 20 0 CCADLP COc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1O ZINC000358168611 533671864 /nfs/dbraw/zinc/67/18/64/533671864.db2.gz OPMHDQRUEKFOHR-CQSZACIVSA-N 2 2 266.341 0.557 20 0 CCADLP C[C@H](CNC(=O)C[NH2+]C[C@H]1CCCO1)Cn1cc[nH+]c1 ZINC000237408098 131028252 /nfs/dbraw/zinc/02/82/52/131028252.db2.gz KBLUTPJKDFWVNF-CHWSQXEVSA-N 2 2 280.372 0.404 20 0 CCADLP [NH3+]C[C@@H](NC(=O)c1ccnc(-n2cc[nH+]c2)c1)C1CC1 ZINC000237804174 131058231 /nfs/dbraw/zinc/05/82/31/131058231.db2.gz JKPXQPNZRWZCNC-GFCCVEGCSA-N 2 2 271.324 0.734 20 0 CCADLP [NH3+]C1(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000237937023 131067175 /nfs/dbraw/zinc/06/71/75/131067175.db2.gz JGOHNAHHBHTMPA-UHFFFAOYSA-N 2 2 260.341 0.789 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)NC(=O)NC(C)(C)C)CC[C@H]1[NH3+] ZINC000251689579 131130724 /nfs/dbraw/zinc/13/07/24/131130724.db2.gz IGMSDXYYHZALHQ-VHSXEESVSA-N 2 2 270.377 0.280 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)CC[C@H]1[NH3+] ZINC000251689579 131130727 /nfs/dbraw/zinc/13/07/27/131130727.db2.gz IGMSDXYYHZALHQ-VHSXEESVSA-N 2 2 270.377 0.280 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000251784830 131131823 /nfs/dbraw/zinc/13/18/23/131131823.db2.gz WMVAVJDDNWSZMQ-RRIFHVCJSA-N 2 2 295.427 0.837 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000251784830 131131825 /nfs/dbraw/zinc/13/18/25/131131825.db2.gz WMVAVJDDNWSZMQ-RRIFHVCJSA-N 2 2 295.427 0.837 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)C1 ZINC000252217619 131133611 /nfs/dbraw/zinc/13/36/11/131133611.db2.gz YDBUWDHAKBTPKN-JHJVBQTASA-N 2 2 253.390 0.914 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)C1 ZINC000252217619 131133612 /nfs/dbraw/zinc/13/36/12/131133612.db2.gz YDBUWDHAKBTPKN-JHJVBQTASA-N 2 2 253.390 0.914 20 0 CCADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000262148643 131194435 /nfs/dbraw/zinc/19/44/35/131194435.db2.gz HQQGQAKNYMPZKF-MFKMUULPSA-N 2 2 278.356 0.141 20 0 CCADLP O=C(C[C@H]1COCC[NH2+]1)NCCc1cn2ccccc2[nH+]1 ZINC000262317668 131211573 /nfs/dbraw/zinc/21/15/73/131211573.db2.gz DSGASNPYZKATDD-ZDUSSCGKSA-N 2 2 288.351 0.372 20 0 CCADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000262414886 131219493 /nfs/dbraw/zinc/21/94/93/131219493.db2.gz ZPGNXMKGEQBRGJ-RISCZKNCSA-N 2 2 288.351 0.370 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1CCCn2nccc21)C[NH+]1CCCC1 ZINC000657842800 413065497 /nfs/dbraw/zinc/06/54/97/413065497.db2.gz AGDHMSXVURYDDS-QWHCGFSZSA-N 2 2 264.373 0.764 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657880349 413071790 /nfs/dbraw/zinc/07/17/90/413071790.db2.gz WOLXXHZTQDXVDX-STQMWFEESA-N 2 2 253.390 0.533 20 0 CCADLP CSC[C@@H](O)C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000575123665 335069600 /nfs/dbraw/zinc/06/96/00/335069600.db2.gz RWCLGYDPSMDGOD-NEPJUHHUSA-N 2 2 262.419 0.147 20 0 CCADLP CSC[C@@H](O)C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000575123665 335069601 /nfs/dbraw/zinc/06/96/01/335069601.db2.gz RWCLGYDPSMDGOD-NEPJUHHUSA-N 2 2 262.419 0.147 20 0 CCADLP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NC[C@@H]1CCCO1 ZINC000037917676 397390026 /nfs/dbraw/zinc/39/00/26/397390026.db2.gz RJLUPNYGZHMXNS-SOUVJXGZSA-N 2 2 295.427 0.746 20 0 CCADLP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NC[C@@H]1CCCO1 ZINC000037917676 397390031 /nfs/dbraw/zinc/39/00/31/397390031.db2.gz RJLUPNYGZHMXNS-SOUVJXGZSA-N 2 2 295.427 0.746 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000356761481 144030743 /nfs/dbraw/zinc/03/07/43/144030743.db2.gz FGULCFULZVZTSC-ZDUSSCGKSA-N 2 2 285.432 0.942 20 0 CCADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000356761481 144030744 /nfs/dbraw/zinc/03/07/44/144030744.db2.gz FGULCFULZVZTSC-ZDUSSCGKSA-N 2 2 285.432 0.942 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H](C)C[NH+](C)C(C)C ZINC000356763784 144031022 /nfs/dbraw/zinc/03/10/22/144031022.db2.gz JCWHWAFHEUFLRK-CHWSQXEVSA-N 2 2 271.405 0.552 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N[C@H](C)C[NH+](C)C(C)C ZINC000356763784 144031024 /nfs/dbraw/zinc/03/10/24/144031024.db2.gz JCWHWAFHEUFLRK-CHWSQXEVSA-N 2 2 271.405 0.552 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000356763784 144031026 /nfs/dbraw/zinc/03/10/26/144031026.db2.gz JCWHWAFHEUFLRK-CHWSQXEVSA-N 2 2 271.405 0.552 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000356763784 144031027 /nfs/dbraw/zinc/03/10/27/144031027.db2.gz JCWHWAFHEUFLRK-CHWSQXEVSA-N 2 2 271.405 0.552 20 0 CCADLP Cn1cc(N2CC[C@H]([N@@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2=O)cn1 ZINC000357078768 144058087 /nfs/dbraw/zinc/05/80/87/144058087.db2.gz LZHCLCOMIVJGIS-SCRDCRAPSA-N 2 2 289.383 0.067 20 0 CCADLP Cn1cc(N2CC[C@H]([N@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2=O)cn1 ZINC000357078768 144058089 /nfs/dbraw/zinc/05/80/89/144058089.db2.gz LZHCLCOMIVJGIS-SCRDCRAPSA-N 2 2 289.383 0.067 20 0 CCADLP C[C@H](N1CC[NH+](CCOCC[NH3+])CC1)C(F)(F)F ZINC000357084512 144058339 /nfs/dbraw/zinc/05/83/39/144058339.db2.gz QPJBXFWTDSHVJV-JTQLQIEISA-N 2 2 269.311 0.530 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000357118550 144062508 /nfs/dbraw/zinc/06/25/08/144062508.db2.gz LUWDMHLRVLIPQZ-VXGBXAGGSA-N 2 2 278.356 0.794 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2c2[nH]cc[nH+]2)C1 ZINC000357118550 144062509 /nfs/dbraw/zinc/06/25/09/144062509.db2.gz LUWDMHLRVLIPQZ-VXGBXAGGSA-N 2 2 278.356 0.794 20 0 CCADLP c1c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)nnn1Cc1cccnc1 ZINC000357122674 144062871 /nfs/dbraw/zinc/06/28/71/144062871.db2.gz QWAHFRDDYBCBDB-LSDHHAIUSA-N 2 2 298.394 0.763 20 0 CCADLP c1c(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)nnn1Cc1cccnc1 ZINC000357122674 144062872 /nfs/dbraw/zinc/06/28/72/144062872.db2.gz QWAHFRDDYBCBDB-LSDHHAIUSA-N 2 2 298.394 0.763 20 0 CCADLP CC1CCN(C(=O)C[N@H+](C)C2CC[NH+](CCO)CC2)CC1 ZINC000357644198 144107981 /nfs/dbraw/zinc/10/79/81/144107981.db2.gz CCRQOEWXWRVKRE-UHFFFAOYSA-N 2 2 297.443 0.633 20 0 CCADLP CC1CCN(C(=O)C[N@@H+](C)C2CC[NH+](CCO)CC2)CC1 ZINC000357644198 144107982 /nfs/dbraw/zinc/10/79/82/144107982.db2.gz CCRQOEWXWRVKRE-UHFFFAOYSA-N 2 2 297.443 0.633 20 0 CCADLP CC(C)[C@@H](C)NC(=O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357654758 144109600 /nfs/dbraw/zinc/10/96/00/144109600.db2.gz XMICLGBQEOQMPR-CYBMUJFWSA-N 2 2 285.432 0.536 20 0 CCADLP CC(C)[C@@H](C)NC(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357654758 144109601 /nfs/dbraw/zinc/10/96/01/144109601.db2.gz XMICLGBQEOQMPR-CYBMUJFWSA-N 2 2 285.432 0.536 20 0 CCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000357933856 144134847 /nfs/dbraw/zinc/13/48/47/144134847.db2.gz YYRDYXFSMUOJIG-CHWSQXEVSA-N 2 2 290.367 0.021 20 0 CCADLP Cc1cccc2[nH+]cc(CN3CCO[C@H](C[NH3+])C3)n21 ZINC000357962958 144137432 /nfs/dbraw/zinc/13/74/32/144137432.db2.gz HWNQULNIBYCFAJ-CYBMUJFWSA-N 2 2 260.341 0.802 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000357985240 144140086 /nfs/dbraw/zinc/14/00/86/144140086.db2.gz JNLJPWZQQJDHHF-WDEREUQCSA-N 2 2 279.388 0.906 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000357985240 144140088 /nfs/dbraw/zinc/14/00/88/144140088.db2.gz JNLJPWZQQJDHHF-WDEREUQCSA-N 2 2 279.388 0.906 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)NCC[N@@H+]2CCOC[C@H]2C)CC[NH2+]1 ZINC000358698673 144173326 /nfs/dbraw/zinc/17/33/26/144173326.db2.gz VBUQSPQXTWBZEI-UPJWGTAASA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)NCC[N@H+]2CCOC[C@H]2C)CC[NH2+]1 ZINC000358698673 144173327 /nfs/dbraw/zinc/17/33/27/144173327.db2.gz VBUQSPQXTWBZEI-UPJWGTAASA-N 2 2 269.389 0.211 20 0 CCADLP C[N@@H+]1CCCC12CC[NH+](CCN1C(=O)CCC1=O)CC2 ZINC000368242397 144213706 /nfs/dbraw/zinc/21/37/06/144213706.db2.gz ISTMEGPHOTYJRJ-UHFFFAOYSA-N 2 2 279.384 0.696 20 0 CCADLP C[N@H+]1CCCC12CC[NH+](CCN1C(=O)CCC1=O)CC2 ZINC000368242397 144213708 /nfs/dbraw/zinc/21/37/08/144213708.db2.gz ISTMEGPHOTYJRJ-UHFFFAOYSA-N 2 2 279.384 0.696 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccnc3)C2)CC1 ZINC000369273879 144261113 /nfs/dbraw/zinc/26/11/13/144261113.db2.gz KLBSMRNXOGQMHZ-CQSZACIVSA-N 2 2 288.395 0.980 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cccnc3)C2)CC1 ZINC000369273879 144261114 /nfs/dbraw/zinc/26/11/14/144261114.db2.gz KLBSMRNXOGQMHZ-CQSZACIVSA-N 2 2 288.395 0.980 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cn[nH]c3)C2)CC1 ZINC000369273332 144261275 /nfs/dbraw/zinc/26/12/75/144261275.db2.gz GPNOWGNPUKSIMZ-LBPRGKRZSA-N 2 2 277.372 0.308 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cn[nH]c3)C2)CC1 ZINC000369273332 144261277 /nfs/dbraw/zinc/26/12/77/144261277.db2.gz GPNOWGNPUKSIMZ-LBPRGKRZSA-N 2 2 277.372 0.308 20 0 CCADLP C[C@@H]1C[N@H+](Cc2ccnn2C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370695540 144312646 /nfs/dbraw/zinc/31/26/46/144312646.db2.gz BHJXDUCVYSFCMI-ZBFHGGJFSA-N 2 2 291.443 0.878 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2ccnn2C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370695540 144312648 /nfs/dbraw/zinc/31/26/48/144312648.db2.gz BHJXDUCVYSFCMI-ZBFHGGJFSA-N 2 2 291.443 0.878 20 0 CCADLP CO[C@@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000234827412 285819030 /nfs/dbraw/zinc/81/90/30/285819030.db2.gz VZCOWZAEGYZBOP-VXGBXAGGSA-N 2 2 269.389 0.164 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC000372834333 144382194 /nfs/dbraw/zinc/38/21/94/144382194.db2.gz AVWHLNGOZJQPMQ-ZDUSSCGKSA-N 2 2 269.389 0.260 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC000372834333 144382195 /nfs/dbraw/zinc/38/21/95/144382195.db2.gz AVWHLNGOZJQPMQ-ZDUSSCGKSA-N 2 2 269.389 0.260 20 0 CCADLP Cc1ncncc1[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000571938088 397579844 /nfs/dbraw/zinc/57/98/44/397579844.db2.gz ACFPSWGUSLJDEZ-FZMZJTMJSA-N 2 2 291.399 0.775 20 0 CCADLP Cc1ncncc1[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000571938088 397579849 /nfs/dbraw/zinc/57/98/49/397579849.db2.gz ACFPSWGUSLJDEZ-FZMZJTMJSA-N 2 2 291.399 0.775 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](Cc2ccnc(N)c2)CC1 ZINC000571937384 397579949 /nfs/dbraw/zinc/57/99/49/397579949.db2.gz UWUMKZVCBUOJMW-UHFFFAOYSA-N 2 2 278.400 0.819 20 0 CCADLP CC(C)[NH2+]C1(CO)CCN(Cc2cc[nH+]c(N)c2)CC1 ZINC000571937384 397579951 /nfs/dbraw/zinc/57/99/51/397579951.db2.gz UWUMKZVCBUOJMW-UHFFFAOYSA-N 2 2 278.400 0.819 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000649618691 397648084 /nfs/dbraw/zinc/64/80/84/397648084.db2.gz JUTPLLDUPNCWHD-RBSFLKMASA-N 2 2 268.401 0.990 20 0 CCADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000649618691 397648086 /nfs/dbraw/zinc/64/80/86/397648086.db2.gz JUTPLLDUPNCWHD-RBSFLKMASA-N 2 2 268.401 0.990 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](C[C@H]2CCC(C)(C)O2)CC1=O ZINC000649685913 397655769 /nfs/dbraw/zinc/65/57/69/397655769.db2.gz RFKHVHOTSOVQIZ-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](C[C@H]2CCC(C)(C)O2)CC1=O ZINC000649685913 397655772 /nfs/dbraw/zinc/65/57/72/397655772.db2.gz RFKHVHOTSOVQIZ-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP Cn1ccc(N2CCC[C@H]([N@H+](C)CCC[NH3+])C2=O)n1 ZINC000649410098 397605934 /nfs/dbraw/zinc/60/59/34/397605934.db2.gz OVWPJVVNRZYKRC-NSHDSACASA-N 2 2 265.361 0.196 20 0 CCADLP Cn1ccc(N2CCC[C@H]([N@@H+](C)CCC[NH3+])C2=O)n1 ZINC000649410098 397605935 /nfs/dbraw/zinc/60/59/35/397605935.db2.gz OVWPJVVNRZYKRC-NSHDSACASA-N 2 2 265.361 0.196 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000649412425 397607242 /nfs/dbraw/zinc/60/72/42/397607242.db2.gz KKCKSAWSJJCAIU-CQSZACIVSA-N 3 2 282.432 0.082 20 0 CCADLP Cn1cc(N2CCC[C@@H]([NH+]3CCC(C)([NH3+])CC3)C2=O)cn1 ZINC000649416119 397609689 /nfs/dbraw/zinc/60/96/89/397609689.db2.gz PRULETBIUAVREM-CYBMUJFWSA-N 2 2 291.399 0.729 20 0 CCADLP Cc1cc(NC(=O)C[NH2+][C@@H](C[NH3+])C(C)(C)C)n(C)n1 ZINC000649419980 397610104 /nfs/dbraw/zinc/61/01/04/397610104.db2.gz GPHMRSFGCVIFFH-JTQLQIEISA-N 2 2 267.377 0.630 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000649475310 397617864 /nfs/dbraw/zinc/61/78/64/397617864.db2.gz XTVYIKQYKDDKPJ-OAHLLOKOSA-N 2 2 294.443 0.321 20 0 CCADLP C[N@H+]1CCC[C@@H]1CN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000649475310 397617866 /nfs/dbraw/zinc/61/78/66/397617866.db2.gz XTVYIKQYKDDKPJ-OAHLLOKOSA-N 2 2 294.443 0.321 20 0 CCADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc2n(n1)CCC2 ZINC000649570358 397638453 /nfs/dbraw/zinc/63/84/53/397638453.db2.gz YSFXBUOQEYVSNR-UHFFFAOYSA-N 2 2 291.443 0.899 20 0 CCADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc2n(n1)CCC2 ZINC000649570358 397638454 /nfs/dbraw/zinc/63/84/54/397638454.db2.gz YSFXBUOQEYVSNR-UHFFFAOYSA-N 2 2 291.443 0.899 20 0 CCADLP CC[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000649757942 397665001 /nfs/dbraw/zinc/66/50/01/397665001.db2.gz BGJLGSKKJSUHCH-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP CC[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000649757942 397665003 /nfs/dbraw/zinc/66/50/03/397665003.db2.gz BGJLGSKKJSUHCH-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP CC[N@@H+]1CC[C@H]2OCCN(CC[NH+]3CCO[C@H](C)C3)[C@H]2C1 ZINC000549832392 286101056 /nfs/dbraw/zinc/10/10/56/286101056.db2.gz ASASBGYPJRHLKC-OWCLPIDISA-N 2 2 297.443 0.502 20 0 CCADLP CC[N@H+]1CC[C@H]2OCCN(CC[NH+]3CCO[C@H](C)C3)[C@H]2C1 ZINC000549832392 286101057 /nfs/dbraw/zinc/10/10/57/286101057.db2.gz ASASBGYPJRHLKC-OWCLPIDISA-N 2 2 297.443 0.502 20 0 CCADLP CC[NH+]1CC[C@H]2OCCN(CC[N@@H+]3CCO[C@H](C)C3)[C@H]2C1 ZINC000549832392 286101058 /nfs/dbraw/zinc/10/10/58/286101058.db2.gz ASASBGYPJRHLKC-OWCLPIDISA-N 2 2 297.443 0.502 20 0 CCADLP CC[NH+]1CC[C@H]2OCCN(CC[N@H+]3CCO[C@H](C)C3)[C@H]2C1 ZINC000549832392 286101059 /nfs/dbraw/zinc/10/10/59/286101059.db2.gz ASASBGYPJRHLKC-OWCLPIDISA-N 2 2 297.443 0.502 20 0 CCADLP CC1(C)C[NH+](CC(=O)NCC[NH+]2CCCCC2)C1 ZINC000552979846 286176587 /nfs/dbraw/zinc/17/65/87/286176587.db2.gz CJADGYJUJSGJBD-UHFFFAOYSA-N 2 2 253.390 0.930 20 0 CCADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000553092161 286180022 /nfs/dbraw/zinc/18/00/22/286180022.db2.gz CCRIQUXFOBDBDP-KBPBESRZSA-N 2 2 282.432 0.079 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659005762 413253526 /nfs/dbraw/zinc/25/35/26/413253526.db2.gz TXAYEHRSUFEFNO-NXEZZACHSA-N 2 2 252.293 0.715 20 0 CCADLP CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423158571 286839531 /nfs/dbraw/zinc/83/95/31/286839531.db2.gz OEZYRKVIEDGUQC-SRVKXCTJSA-N 2 2 277.434 0.434 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000186856776 287092850 /nfs/dbraw/zinc/09/28/50/287092850.db2.gz MSAAQOWFDFZDGS-HUUCEWRRSA-N 2 2 297.443 0.776 20 0 CCADLP FC(F)(F)CN1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000061941438 411686906 /nfs/dbraw/zinc/68/69/06/411686906.db2.gz ZHFYYXJBGSPHKO-UHFFFAOYSA-N 2 2 280.338 0.072 20 0 CCADLP [NH3+]CC[C@@H](NC(=O)CCn1cc[nH+]c1)C(F)(F)F ZINC000307768813 411745782 /nfs/dbraw/zinc/74/57/82/411745782.db2.gz IEYKCTOJBHXJMZ-MRVPVSSYSA-N 2 2 264.251 0.669 20 0 CCADLP CCCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405222962 411800222 /nfs/dbraw/zinc/80/02/22/411800222.db2.gz RHNPXAUJQPDPEF-BFHYXJOUSA-N 2 2 285.432 0.977 20 0 CCADLP CCCCCNC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405222962 411800224 /nfs/dbraw/zinc/80/02/24/411800224.db2.gz RHNPXAUJQPDPEF-BFHYXJOUSA-N 2 2 285.432 0.977 20 0 CCADLP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1C[NH3+] ZINC000405552267 411804757 /nfs/dbraw/zinc/80/47/57/411804757.db2.gz ZIQQMZPDDFGLMT-YNEHKIRRSA-N 2 2 271.405 0.443 20 0 CCADLP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)NCC(C)C)C[C@H]1C[NH3+] ZINC000405552267 411804758 /nfs/dbraw/zinc/80/47/58/411804758.db2.gz ZIQQMZPDDFGLMT-YNEHKIRRSA-N 2 2 271.405 0.443 20 0 CCADLP C[C@H](O)[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000521995768 411825792 /nfs/dbraw/zinc/82/57/92/411825792.db2.gz QSFZFITZFXICCJ-RWMBFGLXSA-N 2 2 271.405 0.288 20 0 CCADLP C[C@H](O)[C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000521995768 411825793 /nfs/dbraw/zinc/82/57/93/411825793.db2.gz QSFZFITZFXICCJ-RWMBFGLXSA-N 2 2 271.405 0.288 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)CNC[C@H]2CCC[NH+]2C)C[C@H](C)O1 ZINC000521996143 411826012 /nfs/dbraw/zinc/82/60/12/411826012.db2.gz SAKYVKDUKLKLEM-LXTVHRRPSA-N 2 2 285.432 0.140 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)CNC[C@H]2CCC[NH+]2C)C[C@H](C)O1 ZINC000521996143 411826015 /nfs/dbraw/zinc/82/60/15/411826015.db2.gz SAKYVKDUKLKLEM-LXTVHRRPSA-N 2 2 285.432 0.140 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CNC[C@H]2CCC[N@@H+]2C)C[C@H](C)O1 ZINC000521996143 411826018 /nfs/dbraw/zinc/82/60/18/411826018.db2.gz SAKYVKDUKLKLEM-LXTVHRRPSA-N 2 2 285.432 0.140 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CNC[C@H]2CCC[N@H+]2C)C[C@H](C)O1 ZINC000521996143 411826021 /nfs/dbraw/zinc/82/60/21/411826021.db2.gz SAKYVKDUKLKLEM-LXTVHRRPSA-N 2 2 285.432 0.140 20 0 CCADLP C[C@@H](CCCCO)[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000651379305 411856782 /nfs/dbraw/zinc/85/67/82/411856782.db2.gz LOZLWSJYJJDBRR-KBPBESRZSA-N 2 2 258.406 0.974 20 0 CCADLP C[C@@H](CCCCO)[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000651379305 411856786 /nfs/dbraw/zinc/85/67/86/411856786.db2.gz LOZLWSJYJJDBRR-KBPBESRZSA-N 2 2 258.406 0.974 20 0 CCADLP COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000651950301 411967192 /nfs/dbraw/zinc/96/71/92/411967192.db2.gz PJFTWOZNRSMDLH-ZYHUDNBSSA-N 2 2 268.361 0.068 20 0 CCADLP COC[C@H]1C[C@@H](O)C[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000651950301 411967197 /nfs/dbraw/zinc/96/71/97/411967197.db2.gz PJFTWOZNRSMDLH-ZYHUDNBSSA-N 2 2 268.361 0.068 20 0 CCADLP Cc1[nH+]c2ccccn2c1CN1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651978088 411971627 /nfs/dbraw/zinc/97/16/27/411971627.db2.gz RPGNAGZALWNBBG-CQSZACIVSA-N 2 2 286.379 0.894 20 0 CCADLP Cc1[nH+]c2ccccn2c1CN1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651978088 411971636 /nfs/dbraw/zinc/97/16/36/411971636.db2.gz RPGNAGZALWNBBG-CQSZACIVSA-N 2 2 286.379 0.894 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NCCC1CC[NH2+]CC1 ZINC000652146105 411993556 /nfs/dbraw/zinc/99/35/56/411993556.db2.gz INZFLGZXRNVOCC-ZDUSSCGKSA-N 2 2 298.431 0.396 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NCCC1CC[NH2+]CC1 ZINC000652146105 411993560 /nfs/dbraw/zinc/99/35/60/411993560.db2.gz INZFLGZXRNVOCC-ZDUSSCGKSA-N 2 2 298.431 0.396 20 0 CCADLP C[C@H]1CCC[N@H+](CC(=O)Nc2ccon2)[C@H]1CC[NH3+] ZINC000652353733 412036161 /nfs/dbraw/zinc/03/61/61/412036161.db2.gz BVZCMKRTQMKTDJ-QWRGUYRKSA-N 2 2 266.345 0.484 20 0 CCADLP C[C@H]1CCC[N@@H+](CC(=O)Nc2ccon2)[C@H]1CC[NH3+] ZINC000652353733 412036164 /nfs/dbraw/zinc/03/61/64/412036164.db2.gz BVZCMKRTQMKTDJ-QWRGUYRKSA-N 2 2 266.345 0.484 20 0 CCADLP CCO[C@@H]1CN(C(=O)Nc2cc[nH+]cc2C)C[C@H]1C[NH3+] ZINC000652589269 412071937 /nfs/dbraw/zinc/07/19/37/412071937.db2.gz SNFHQRHDYOSJMG-DGCLKSJQSA-N 2 2 278.356 0.639 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC1([NH3+])CCCCC1 ZINC000653043574 412199180 /nfs/dbraw/zinc/19/91/80/412199180.db2.gz DFCQNGZABQJTNL-LLVKDONJSA-N 3 2 256.394 0.043 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000653050166 412201057 /nfs/dbraw/zinc/20/10/57/412201057.db2.gz GDQYHUKATCNKGL-ZDUSSCGKSA-N 3 2 276.384 0.550 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000653048925 412201254 /nfs/dbraw/zinc/20/12/54/412201254.db2.gz GCWOUQKESQFXMY-STQMWFEESA-N 3 2 264.373 0.082 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000653051353 412202077 /nfs/dbraw/zinc/20/20/77/412202077.db2.gz WJBDGJYQMJAXMW-STQMWFEESA-N 3 2 270.421 0.289 20 0 CCADLP C[C@@H](C[NH3+])N(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653051336 412202389 /nfs/dbraw/zinc/20/23/89/412202389.db2.gz VRJDRJFSLSADQM-JTQLQIEISA-N 2 2 250.346 0.568 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)CCO1 ZINC000653055640 412203489 /nfs/dbraw/zinc/20/34/89/412203489.db2.gz JFXPHLBBAULRQA-SRVKXCTJSA-N 2 2 266.345 0.409 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000653065751 412206956 /nfs/dbraw/zinc/20/69/56/412206956.db2.gz RPIJHFMYOJDVKW-GFCCVEGCSA-N 2 2 290.367 0.789 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000653065098 412207258 /nfs/dbraw/zinc/20/72/58/412207258.db2.gz SYXBDYBBFJRQDQ-RXMQYKEDSA-N 2 2 297.306 0.774 20 0 CCADLP COCCOc1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653070273 412208754 /nfs/dbraw/zinc/20/87/54/412208754.db2.gz PZRFGEPZDZLSSU-AWEZNQCLSA-N 2 2 295.383 0.929 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@H](CO)Cc1ccccc1 ZINC000653069660 412208771 /nfs/dbraw/zinc/20/87/71/412208771.db2.gz WGXQCNDWUUHBRW-LSDHHAIUSA-N 2 2 293.411 0.233 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1COc2ccccc2C1 ZINC000653072866 412209019 /nfs/dbraw/zinc/20/90/19/412209019.db2.gz IOPYGKKLUHBMTF-STQMWFEESA-N 2 2 277.368 0.385 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H](CO)Cc1ccccc1 ZINC000653069658 412209138 /nfs/dbraw/zinc/20/91/38/412209138.db2.gz WGXQCNDWUUHBRW-GJZGRUSLSA-N 2 2 293.411 0.233 20 0 CCADLP CC(C)CCOCCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653075113 412209753 /nfs/dbraw/zinc/20/97/53/412209753.db2.gz GAUWYWIPPFONOX-GFCCVEGCSA-N 2 2 259.394 0.444 20 0 CCADLP CCN(CC)C(=O)[C@H]1CCCN1C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653079880 412211275 /nfs/dbraw/zinc/21/12/75/412211275.db2.gz QXADDCAEDMYAMV-QWHCGFSZSA-N 2 2 298.431 0.125 20 0 CCADLP COc1cc(CCNC(=O)[C@H]([NH3+])CC[NH+](C)C)ccc1C ZINC000653091536 412214253 /nfs/dbraw/zinc/21/42/53/412214253.db2.gz YFUNFCKNQWTKKC-CQSZACIVSA-N 2 2 293.411 0.941 20 0 CCADLP COC(C)(C)C[C@@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653096863 412216787 /nfs/dbraw/zinc/21/67/87/412216787.db2.gz XVHQFSJMQJVLFQ-MNOVXSKESA-N 2 2 259.394 0.585 20 0 CCADLP COC(C)(C)C[C@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653096864 412217259 /nfs/dbraw/zinc/21/72/59/412217259.db2.gz XVHQFSJMQJVLFQ-QWRGUYRKSA-N 2 2 259.394 0.585 20 0 CCADLP CC[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1c(C)nn(C)c1C ZINC000653098665 412217605 /nfs/dbraw/zinc/21/76/05/412217605.db2.gz UQGGFNDJWKLSFN-STQMWFEESA-N 2 2 295.431 0.883 20 0 CCADLP CO[C@]1(C)C[C@@H](N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)C1(C)C ZINC000653101730 412219147 /nfs/dbraw/zinc/21/91/47/412219147.db2.gz DZNVQWPCIVXIOK-LALPHHSUSA-N 2 2 285.432 0.927 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653116530 412228380 /nfs/dbraw/zinc/22/83/80/412228380.db2.gz KGXHBJIOVWDBHC-QWHCGFSZSA-N 3 2 270.421 0.256 20 0 CCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653116530 412228382 /nfs/dbraw/zinc/22/83/82/412228382.db2.gz KGXHBJIOVWDBHC-QWHCGFSZSA-N 3 2 270.421 0.256 20 0 CCADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653123484 412232583 /nfs/dbraw/zinc/23/25/83/412232583.db2.gz ZTGRLZCXUAXTCV-KGLIPLIRSA-N 3 2 284.448 0.456 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)C1 ZINC000653123484 412232587 /nfs/dbraw/zinc/23/25/87/412232587.db2.gz ZTGRLZCXUAXTCV-KGLIPLIRSA-N 3 2 284.448 0.456 20 0 CCADLP COc1ccc(F)cc1CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653151317 412243709 /nfs/dbraw/zinc/24/37/09/412243709.db2.gz CQGVACYPICVLTI-GFCCVEGCSA-N 2 2 283.347 0.730 20 0 CCADLP CCN(CCc1nccs1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653153147 412245381 /nfs/dbraw/zinc/24/53/81/412245381.db2.gz JVZXVUCZCWUHKK-LLVKDONJSA-N 2 2 284.429 0.813 20 0 CCADLP CO[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC[C@@H]1C ZINC000653152547 412245843 /nfs/dbraw/zinc/24/58/43/412245843.db2.gz QFDPIYGDAVEPHZ-QJPTWQEYSA-N 2 2 257.378 0.149 20 0 CCADLP Cc1cc(C[NH3+])cc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1 ZINC000653165915 412249460 /nfs/dbraw/zinc/24/94/60/412249460.db2.gz LXMLCZPORCMJNL-CYBMUJFWSA-N 3 2 264.373 0.671 20 0 CCADLP CCCC(=O)NC1CC[NH+](C[C@H](O)C[N@H+](C)CC)CC1 ZINC000653495121 412306628 /nfs/dbraw/zinc/30/66/28/412306628.db2.gz VPOQJKGKDOKSMR-CQSZACIVSA-N 2 2 285.432 0.680 20 0 CCADLP CCCC(=O)NC1CC[NH+](C[C@H](O)C[N@@H+](C)CC)CC1 ZINC000653495121 412306633 /nfs/dbraw/zinc/30/66/33/412306633.db2.gz VPOQJKGKDOKSMR-CQSZACIVSA-N 2 2 285.432 0.680 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC2(CCOC2)CC1 ZINC000653593476 412322054 /nfs/dbraw/zinc/32/20/54/412322054.db2.gz CBAMGFCRTVSUBD-AWEZNQCLSA-N 2 2 286.416 0.428 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC2(CCOC2)CC1 ZINC000653593476 412322058 /nfs/dbraw/zinc/32/20/58/412322058.db2.gz CBAMGFCRTVSUBD-AWEZNQCLSA-N 2 2 286.416 0.428 20 0 CCADLP CC(C)N1CC[N@H+](CCCc2c[nH+]cn2C)CC1=O ZINC000653610295 412324337 /nfs/dbraw/zinc/32/43/37/412324337.db2.gz BESNHAIECHEJLL-UHFFFAOYSA-N 2 2 264.373 0.905 20 0 CCADLP CC(C)N1CC[N@@H+](CCCc2c[nH+]cn2C)CC1=O ZINC000653610295 412324341 /nfs/dbraw/zinc/32/43/41/412324341.db2.gz BESNHAIECHEJLL-UHFFFAOYSA-N 2 2 264.373 0.905 20 0 CCADLP Cc1cncc(CC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)n1 ZINC000653644213 412329407 /nfs/dbraw/zinc/32/94/07/412329407.db2.gz VEFSLADINNZMFW-UHFFFAOYSA-N 2 2 272.356 0.873 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCC(N2CN=NC2=O)CC1 ZINC000653652272 412331699 /nfs/dbraw/zinc/33/16/99/412331699.db2.gz VUNRNZLNLXCMBW-UHFFFAOYSA-N 2 2 276.344 0.597 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@]2(CCOC2)C1 ZINC000653755557 412341440 /nfs/dbraw/zinc/34/14/40/412341440.db2.gz XUQWVURGRIGLKI-CABCVRRESA-N 2 2 286.416 0.428 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@]2(CCOC2)C1 ZINC000653755557 412341442 /nfs/dbraw/zinc/34/14/42/412341442.db2.gz XUQWVURGRIGLKI-CABCVRRESA-N 2 2 286.416 0.428 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000653755557 412341446 /nfs/dbraw/zinc/34/14/46/412341446.db2.gz XUQWVURGRIGLKI-CABCVRRESA-N 2 2 286.416 0.428 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000653755557 412341450 /nfs/dbraw/zinc/34/14/50/412341450.db2.gz XUQWVURGRIGLKI-CABCVRRESA-N 2 2 286.416 0.428 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@]2(CCOC2)C1 ZINC000653755558 412341512 /nfs/dbraw/zinc/34/15/12/412341512.db2.gz XUQWVURGRIGLKI-GJZGRUSLSA-N 2 2 286.416 0.428 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@]2(CCOC2)C1 ZINC000653755558 412341513 /nfs/dbraw/zinc/34/15/13/412341513.db2.gz XUQWVURGRIGLKI-GJZGRUSLSA-N 2 2 286.416 0.428 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000653755558 412341519 /nfs/dbraw/zinc/34/15/19/412341519.db2.gz XUQWVURGRIGLKI-GJZGRUSLSA-N 2 2 286.416 0.428 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000653755558 412341523 /nfs/dbraw/zinc/34/15/23/412341523.db2.gz XUQWVURGRIGLKI-GJZGRUSLSA-N 2 2 286.416 0.428 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)OCC12CCC2 ZINC000653779138 412347435 /nfs/dbraw/zinc/34/74/35/412347435.db2.gz OELHIYBXQQEMRS-CHWSQXEVSA-N 2 2 256.390 0.942 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)OCC12CCC2 ZINC000653779138 412347439 /nfs/dbraw/zinc/34/74/39/412347439.db2.gz OELHIYBXQQEMRS-CHWSQXEVSA-N 2 2 256.390 0.942 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](C)OCC12CCC2 ZINC000653779138 412347443 /nfs/dbraw/zinc/34/74/43/412347443.db2.gz OELHIYBXQQEMRS-CHWSQXEVSA-N 2 2 256.390 0.942 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](C)OCC12CCC2 ZINC000653779138 412347445 /nfs/dbraw/zinc/34/74/45/412347445.db2.gz OELHIYBXQQEMRS-CHWSQXEVSA-N 2 2 256.390 0.942 20 0 CCADLP CC[N@@H+]1CCN(C(=O)C[NH+]2CC(C)(C)C2)C[C@@H]1C ZINC000654954237 412452874 /nfs/dbraw/zinc/45/28/74/412452874.db2.gz SHNIDSOBZMMGMV-LBPRGKRZSA-N 2 2 253.390 0.881 20 0 CCADLP CC[N@H+]1CCN(C(=O)C[NH+]2CC(C)(C)C2)C[C@@H]1C ZINC000654954237 412452876 /nfs/dbraw/zinc/45/28/76/412452876.db2.gz SHNIDSOBZMMGMV-LBPRGKRZSA-N 2 2 253.390 0.881 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)N[C@H](C)C[NH2+]C ZINC000659501392 413554703 /nfs/dbraw/zinc/55/47/03/413554703.db2.gz LVNXENUJENJVQI-ZJUUUORDSA-N 2 2 253.350 0.871 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000659493646 413547752 /nfs/dbraw/zinc/54/77/52/413547752.db2.gz JKIGRABTCZQXJT-DTWKUNHWSA-N 2 2 251.334 0.174 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000659493646 413547763 /nfs/dbraw/zinc/54/77/63/413547763.db2.gz JKIGRABTCZQXJT-DTWKUNHWSA-N 2 2 251.334 0.174 20 0 CCADLP C[NH+](C)Cc1ccc(C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000035187922 172042372 /nfs/dbraw/zinc/04/23/72/172042372.db2.gz KUCHIYSANNKJJI-UHFFFAOYSA-N 2 2 291.395 0.498 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NCC23CC(C2)C[NH2+]3)c2[nH+]ccn21 ZINC000659502336 413556785 /nfs/dbraw/zinc/55/67/85/413556785.db2.gz WKGQVMVTXMQDDS-FQYCYVTBSA-N 2 2 275.356 0.940 20 0 CCADLP C[C@@H](NC(=O)N[C@H]1CCC[NH2+]C1)c1[nH+]ccn1C ZINC000659518484 413588242 /nfs/dbraw/zinc/58/82/42/413588242.db2.gz XUMAOHBYHQPWTG-ZJUUUORDSA-N 2 2 251.334 0.532 20 0 CCADLP [NH3+]C1CCC(NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000659520260 413591298 /nfs/dbraw/zinc/59/12/98/413591298.db2.gz YOFRYDANRFNGIH-JXQTWKCFSA-N 2 2 296.415 0.372 20 0 CCADLP C[C@@H](NC(=O)N[C@@H](C)CCC[NH3+])c1[nH+]ccn1C ZINC000659554875 413646434 /nfs/dbraw/zinc/64/64/34/413646434.db2.gz VYCIAPFYHGUUCY-VHSXEESVSA-N 2 2 253.350 0.908 20 0 CCADLP C[C@@H](CCC[NH3+])NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659554571 413646998 /nfs/dbraw/zinc/64/69/98/413646998.db2.gz ULNNJGGVAJKWKT-STQMWFEESA-N 2 2 284.404 0.230 20 0 CCADLP CC[C@H](C)CCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000659563835 413659377 /nfs/dbraw/zinc/65/93/77/413659377.db2.gz PWISCWPMVRPZJH-RYUDHWBXSA-N 2 2 256.394 0.707 20 0 CCADLP CC[C@H](C)CCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000659563835 413659383 /nfs/dbraw/zinc/65/93/83/413659383.db2.gz PWISCWPMVRPZJH-RYUDHWBXSA-N 2 2 256.394 0.707 20 0 CCADLP C[C@@H]1CCC[C@@H](CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])O1 ZINC000659601641 413683345 /nfs/dbraw/zinc/68/33/45/413683345.db2.gz VYCNHGBQWDSILG-AGIUHOORSA-N 2 2 284.404 0.228 20 0 CCADLP C[C@@H]1CCC[C@@H](CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])O1 ZINC000659601641 413683355 /nfs/dbraw/zinc/68/33/55/413683355.db2.gz VYCNHGBQWDSILG-AGIUHOORSA-N 2 2 284.404 0.228 20 0 CCADLP C[C@@H]1CCC[C@@H](CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])O1 ZINC000659601644 413684020 /nfs/dbraw/zinc/68/40/20/413684020.db2.gz VYCNHGBQWDSILG-UPJWGTAASA-N 2 2 284.404 0.228 20 0 CCADLP C[C@@H]1CCC[C@@H](CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])O1 ZINC000659601644 413684030 /nfs/dbraw/zinc/68/40/30/413684030.db2.gz VYCNHGBQWDSILG-UPJWGTAASA-N 2 2 284.404 0.228 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000659633987 413732314 /nfs/dbraw/zinc/73/23/14/413732314.db2.gz HFUUYJOKUCUNAE-CYBMUJFWSA-N 2 2 291.399 0.830 20 0 CCADLP CNC(=O)C1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000659825061 413890512 /nfs/dbraw/zinc/89/05/12/413890512.db2.gz MQKFGNXVZSQNTH-ZDUSSCGKSA-N 2 2 271.405 0.146 20 0 CCADLP CNC(=O)C1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000659825061 413890519 /nfs/dbraw/zinc/89/05/19/413890519.db2.gz MQKFGNXVZSQNTH-ZDUSSCGKSA-N 2 2 271.405 0.146 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](OCCO)C1 ZINC000659930133 413977581 /nfs/dbraw/zinc/97/75/81/413977581.db2.gz BCBHRQSQZPOIKR-ZIAGYGMSSA-N 2 2 274.405 0.161 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](OCCO)C1 ZINC000659930133 413977589 /nfs/dbraw/zinc/97/75/89/413977589.db2.gz BCBHRQSQZPOIKR-ZIAGYGMSSA-N 2 2 274.405 0.161 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000659930133 413977600 /nfs/dbraw/zinc/97/76/00/413977600.db2.gz BCBHRQSQZPOIKR-ZIAGYGMSSA-N 2 2 274.405 0.161 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000659930133 413977608 /nfs/dbraw/zinc/97/76/08/413977608.db2.gz BCBHRQSQZPOIKR-ZIAGYGMSSA-N 2 2 274.405 0.161 20 0 CCADLP CCN1CC[C@@H]([N@@H+]2CC[C@@H](C[NH+](C)CC)C2)C1=O ZINC000659989698 414024963 /nfs/dbraw/zinc/02/49/63/414024963.db2.gz RHKGPZXALZSNQP-QWHCGFSZSA-N 2 2 253.390 0.881 20 0 CCADLP CCN1CC[C@@H]([N@H+]2CC[C@@H](C[NH+](C)CC)C2)C1=O ZINC000659989698 414024973 /nfs/dbraw/zinc/02/49/73/414024973.db2.gz RHKGPZXALZSNQP-QWHCGFSZSA-N 2 2 253.390 0.881 20 0 CCADLP CCN1CC[C@@H]([NH+]2CC[C@@H](C[N@H+](C)CC)C2)C1=O ZINC000659989698 414024983 /nfs/dbraw/zinc/02/49/83/414024983.db2.gz RHKGPZXALZSNQP-QWHCGFSZSA-N 2 2 253.390 0.881 20 0 CCADLP CCN1CC[C@@H]([NH+]2CC[C@@H](C[N@@H+](C)CC)C2)C1=O ZINC000659989698 414024991 /nfs/dbraw/zinc/02/49/91/414024991.db2.gz RHKGPZXALZSNQP-QWHCGFSZSA-N 2 2 253.390 0.881 20 0 CCADLP CN(C)C(=O)CC[NH+]1CCN(Cc2cn(C)c[nH+]2)CC1 ZINC000660005857 414046608 /nfs/dbraw/zinc/04/66/08/414046608.db2.gz PTHGTUZJNREUBM-UHFFFAOYSA-N 2 2 279.388 0.016 20 0 CCADLP OC1(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CCOCC1 ZINC000660472954 414342383 /nfs/dbraw/zinc/34/23/83/414342383.db2.gz CIDFRKQYQULOCE-OAHLLOKOSA-N 2 2 298.427 0.715 20 0 CCADLP OC1(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CCOCC1 ZINC000660472954 414342394 /nfs/dbraw/zinc/34/23/94/414342394.db2.gz CIDFRKQYQULOCE-OAHLLOKOSA-N 2 2 298.427 0.715 20 0 CCADLP CC(=O)NCCC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660473770 414343001 /nfs/dbraw/zinc/34/30/01/414343001.db2.gz UWZGSJDQKIQVLO-OAHLLOKOSA-N 2 2 283.416 0.699 20 0 CCADLP CC(=O)NCCC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000660473770 414343005 /nfs/dbraw/zinc/34/30/05/414343005.db2.gz UWZGSJDQKIQVLO-OAHLLOKOSA-N 2 2 283.416 0.699 20 0 CCADLP CC[C@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660472271 414344025 /nfs/dbraw/zinc/34/40/25/414344025.db2.gz IPWAFIZQVRMLIF-KBPBESRZSA-N 2 2 256.390 0.944 20 0 CCADLP CC[C@H](O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660472271 414344038 /nfs/dbraw/zinc/34/40/38/414344038.db2.gz IPWAFIZQVRMLIF-KBPBESRZSA-N 2 2 256.390 0.944 20 0 CCADLP O=C1CC[C@@H](C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)N1 ZINC000660476134 414347919 /nfs/dbraw/zinc/34/79/19/414347919.db2.gz WNPLCLZGECFZKW-KBPBESRZSA-N 2 2 281.400 0.452 20 0 CCADLP O=C1CC[C@@H](C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)N1 ZINC000660476134 414347924 /nfs/dbraw/zinc/34/79/24/414347924.db2.gz WNPLCLZGECFZKW-KBPBESRZSA-N 2 2 281.400 0.452 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@](C)(CO)c1cccc(O)c1 ZINC000660561098 414391393 /nfs/dbraw/zinc/39/13/93/414391393.db2.gz QBJCLYRQUCOVRC-HOTGVXAUSA-N 2 2 296.411 0.890 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@](C)(CO)c1cccc(O)c1 ZINC000660561098 414391395 /nfs/dbraw/zinc/39/13/95/414391395.db2.gz QBJCLYRQUCOVRC-HOTGVXAUSA-N 2 2 296.411 0.890 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](CCO)[C@@H]1CCO[C@H]1C ZINC000660455489 414333314 /nfs/dbraw/zinc/33/33/14/414333314.db2.gz BUSPDIBJMJRFFD-BFHYXJOUSA-N 2 2 274.405 0.159 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](CCO)[C@@H]1CCO[C@H]1C ZINC000660455489 414333320 /nfs/dbraw/zinc/33/33/20/414333320.db2.gz BUSPDIBJMJRFFD-BFHYXJOUSA-N 2 2 274.405 0.159 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](CCO)[C@@H]1CCO[C@H]1C ZINC000660455489 414333326 /nfs/dbraw/zinc/33/33/26/414333326.db2.gz BUSPDIBJMJRFFD-BFHYXJOUSA-N 2 2 274.405 0.159 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](CCO)[C@@H]1CCO[C@H]1C ZINC000660455489 414333335 /nfs/dbraw/zinc/33/33/35/414333335.db2.gz BUSPDIBJMJRFFD-BFHYXJOUSA-N 2 2 274.405 0.159 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660704530 414454369 /nfs/dbraw/zinc/45/43/69/414454369.db2.gz FHMUDPLGKQELFG-GFCCVEGCSA-N 2 2 293.371 0.036 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000660741738 414469513 /nfs/dbraw/zinc/46/95/13/414469513.db2.gz RLIPPYZDECLKBJ-SRVKXCTJSA-N 2 2 298.349 0.933 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000660741738 414469519 /nfs/dbraw/zinc/46/95/19/414469519.db2.gz RLIPPYZDECLKBJ-SRVKXCTJSA-N 2 2 298.349 0.933 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000660741738 414469523 /nfs/dbraw/zinc/46/95/23/414469523.db2.gz RLIPPYZDECLKBJ-SRVKXCTJSA-N 2 2 298.349 0.933 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000660741738 414469527 /nfs/dbraw/zinc/46/95/27/414469527.db2.gz RLIPPYZDECLKBJ-SRVKXCTJSA-N 2 2 298.349 0.933 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1[C@@H](C)CO ZINC000661440457 414626572 /nfs/dbraw/zinc/62/65/72/414626572.db2.gz HPCWMWVRISPSPA-SOUVJXGZSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1[C@@H](C)CO ZINC000661440457 414626573 /nfs/dbraw/zinc/62/65/73/414626573.db2.gz HPCWMWVRISPSPA-SOUVJXGZSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H](C)CO ZINC000661440457 414626575 /nfs/dbraw/zinc/62/65/75/414626575.db2.gz HPCWMWVRISPSPA-SOUVJXGZSA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H](C)CO ZINC000661440457 414626577 /nfs/dbraw/zinc/62/65/77/414626577.db2.gz HPCWMWVRISPSPA-SOUVJXGZSA-N 2 2 288.432 0.408 20 0 CCADLP CN(CC1C[NH+](C)C1)C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000661150182 414567475 /nfs/dbraw/zinc/56/74/75/414567475.db2.gz TWWQVBRFWKCVMP-UHFFFAOYSA-N 2 2 291.399 0.922 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCO[C@](C)(C2CC2)C1 ZINC000661171303 414574465 /nfs/dbraw/zinc/57/44/65/414574465.db2.gz MGFNAUHOMGQCRT-GJZGRUSLSA-N 2 2 286.416 0.426 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCO[C@](C)(C2CC2)C1 ZINC000661171303 414574467 /nfs/dbraw/zinc/57/44/67/414574467.db2.gz MGFNAUHOMGQCRT-GJZGRUSLSA-N 2 2 286.416 0.426 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661171303 414574471 /nfs/dbraw/zinc/57/44/71/414574471.db2.gz MGFNAUHOMGQCRT-GJZGRUSLSA-N 2 2 286.416 0.426 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661171303 414574475 /nfs/dbraw/zinc/57/44/75/414574475.db2.gz MGFNAUHOMGQCRT-GJZGRUSLSA-N 2 2 286.416 0.426 20 0 CCADLP CCOc1ccccc1C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030992 174023972 /nfs/dbraw/zinc/02/39/72/174023972.db2.gz FIFAVTHIBQJHNM-UHFFFAOYSA-N 2 2 291.395 0.949 20 0 CCADLP CCOc1ccccc1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038030992 174023974 /nfs/dbraw/zinc/02/39/74/174023974.db2.gz FIFAVTHIBQJHNM-UHFFFAOYSA-N 2 2 291.395 0.949 20 0 CCADLP [NH3+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000040419403 174256658 /nfs/dbraw/zinc/25/66/58/174256658.db2.gz NREMPSASXBGWCR-UHFFFAOYSA-N 2 2 263.341 0.094 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)NC2CCCC2)C1 ZINC000040601071 174351059 /nfs/dbraw/zinc/35/10/59/174351059.db2.gz QOACOTPGDKSICI-LBPRGKRZSA-N 2 2 253.390 0.977 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC000040601071 174351061 /nfs/dbraw/zinc/35/10/61/174351061.db2.gz QOACOTPGDKSICI-LBPRGKRZSA-N 2 2 253.390 0.977 20 0 CCADLP CC(C)OCCN1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662262549 414702135 /nfs/dbraw/zinc/70/21/35/414702135.db2.gz HIIKATCCOMLCCC-OAHLLOKOSA-N 2 2 297.443 0.550 20 0 CCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1coc(S(N)(=O)=O)c1 ZINC000662263387 414702854 /nfs/dbraw/zinc/70/28/54/414702854.db2.gz AMIIYTBMKUJOMU-BDAKNGLRSA-N 2 2 273.358 0.096 20 0 CCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1coc(S(N)(=O)=O)c1 ZINC000662263387 414702855 /nfs/dbraw/zinc/70/28/55/414702855.db2.gz AMIIYTBMKUJOMU-BDAKNGLRSA-N 2 2 273.358 0.096 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746871 174391997 /nfs/dbraw/zinc/39/19/97/174391997.db2.gz YHQXCZAXERWOEP-FOSCPWQOSA-N 2 2 282.388 0.437 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746871 174391999 /nfs/dbraw/zinc/39/19/99/174391999.db2.gz YHQXCZAXERWOEP-FOSCPWQOSA-N 2 2 282.388 0.437 20 0 CCADLP C[C@H]1CC[N@H+](Cc2coc(S(N)(=O)=O)c2)C[C@H]1C[NH3+] ZINC000662281103 414705193 /nfs/dbraw/zinc/70/51/93/414705193.db2.gz IKQVFENWRLOUAG-GXSJLCMTSA-N 2 2 287.385 0.344 20 0 CCADLP C[C@H]1CC[N@@H+](Cc2coc(S(N)(=O)=O)c2)C[C@H]1C[NH3+] ZINC000662281103 414705194 /nfs/dbraw/zinc/70/51/94/414705194.db2.gz IKQVFENWRLOUAG-GXSJLCMTSA-N 2 2 287.385 0.344 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000662279475 414705467 /nfs/dbraw/zinc/70/54/67/414705467.db2.gz KAOMVVOGKIBGAD-KBMXLJTQSA-N 3 2 279.428 0.924 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000662279475 414705468 /nfs/dbraw/zinc/70/54/68/414705468.db2.gz KAOMVVOGKIBGAD-KBMXLJTQSA-N 3 2 279.428 0.924 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000662279475 414705469 /nfs/dbraw/zinc/70/54/69/414705469.db2.gz KAOMVVOGKIBGAD-KBMXLJTQSA-N 3 2 279.428 0.924 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000662279475 414705470 /nfs/dbraw/zinc/70/54/70/414705470.db2.gz KAOMVVOGKIBGAD-KBMXLJTQSA-N 3 2 279.428 0.924 20 0 CCADLP O=c1[nH]nc(C2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)[nH]1 ZINC000662281964 414705624 /nfs/dbraw/zinc/70/56/24/414705624.db2.gz NAMPKODKDZAKAM-LLVKDONJSA-N 2 2 293.371 0.211 20 0 CCADLP Cc1ccc(NC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)c(F)c1 ZINC000662286668 414706656 /nfs/dbraw/zinc/70/66/56/414706656.db2.gz WAPSPOWSBWNIOX-UHFFFAOYSA-N 2 2 295.358 0.777 20 0 CCADLP [NH3+]CC[N@H+](CCCc1ccc(Cl)cc1)C[C@@H](O)CO ZINC000662289751 414707283 /nfs/dbraw/zinc/70/72/83/414707283.db2.gz VQISGZRPDLQKKT-CQSZACIVSA-N 2 2 286.803 0.887 20 0 CCADLP [NH3+]CC[N@@H+](CCCc1ccc(Cl)cc1)C[C@@H](O)CO ZINC000662289751 414707284 /nfs/dbraw/zinc/70/72/84/414707284.db2.gz VQISGZRPDLQKKT-CQSZACIVSA-N 2 2 286.803 0.887 20 0 CCADLP C[N@H+](Cc1cc(=O)n2ccccc2n1)CC(C)(C)[NH3+] ZINC000662297076 414707959 /nfs/dbraw/zinc/70/79/59/414707959.db2.gz ZOVJMADTXGWNCE-UHFFFAOYSA-N 2 2 260.341 0.864 20 0 CCADLP C[N@@H+](Cc1cc(=O)n2ccccc2n1)CC(C)(C)[NH3+] ZINC000662297076 414707960 /nfs/dbraw/zinc/70/79/60/414707960.db2.gz ZOVJMADTXGWNCE-UHFFFAOYSA-N 2 2 260.341 0.864 20 0 CCADLP CN(C)C(=O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662316106 414708603 /nfs/dbraw/zinc/70/86/03/414708603.db2.gz IJAUFHROKKBEOE-LBPRGKRZSA-N 2 2 257.378 0.117 20 0 CCADLP CN(C)C(=O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662316106 414708604 /nfs/dbraw/zinc/70/86/04/414708604.db2.gz IJAUFHROKKBEOE-LBPRGKRZSA-N 2 2 257.378 0.117 20 0 CCADLP Cn1cc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cn1 ZINC000662324158 414709639 /nfs/dbraw/zinc/70/96/39/414709639.db2.gz VOBSEBUWKPCTAF-AWEZNQCLSA-N 2 2 266.389 0.963 20 0 CCADLP Cn1cc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cn1 ZINC000662324158 414709640 /nfs/dbraw/zinc/70/96/40/414709640.db2.gz VOBSEBUWKPCTAF-AWEZNQCLSA-N 2 2 266.389 0.963 20 0 CCADLP CN(C(=O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)C1CC1 ZINC000662323286 414709661 /nfs/dbraw/zinc/70/96/61/414709661.db2.gz OXPWMDFMMUNSDM-AWEZNQCLSA-N 2 2 283.416 0.650 20 0 CCADLP CN(C(=O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1)C1CC1 ZINC000662323286 414709662 /nfs/dbraw/zinc/70/96/62/414709662.db2.gz OXPWMDFMMUNSDM-AWEZNQCLSA-N 2 2 283.416 0.650 20 0 CCADLP [NH3+]CCOCC[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662326459 414710507 /nfs/dbraw/zinc/71/05/07/414710507.db2.gz TVWGHJGNMMAPMV-SECBINFHSA-N 2 2 256.268 0.615 20 0 CCADLP [NH3+]CCOCC[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662326459 414710508 /nfs/dbraw/zinc/71/05/08/414710508.db2.gz TVWGHJGNMMAPMV-SECBINFHSA-N 2 2 256.268 0.615 20 0 CCADLP CC(C)OCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662152121 414693594 /nfs/dbraw/zinc/69/35/94/414693594.db2.gz OUZATJLUULYTCG-CQSZACIVSA-N 2 2 256.390 0.942 20 0 CCADLP CC(C)OCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662152121 414693595 /nfs/dbraw/zinc/69/35/95/414693595.db2.gz OUZATJLUULYTCG-CQSZACIVSA-N 2 2 256.390 0.942 20 0 CCADLP Cn1cc(CC[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cn1 ZINC000662152677 414693711 /nfs/dbraw/zinc/69/37/11/414693711.db2.gz XEZPNRLPIHMLAV-HNNXBMFYSA-N 2 2 278.400 0.494 20 0 CCADLP Cn1cc(CC[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cn1 ZINC000662152677 414693712 /nfs/dbraw/zinc/69/37/12/414693712.db2.gz XEZPNRLPIHMLAV-HNNXBMFYSA-N 2 2 278.400 0.494 20 0 CCADLP CCn1cc(CC[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cn1 ZINC000662152164 414693721 /nfs/dbraw/zinc/69/37/21/414693721.db2.gz PXXRJMCUIADETJ-INIZCTEOSA-N 2 2 292.427 0.977 20 0 CCADLP CCn1cc(CC[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cn1 ZINC000662152164 414693722 /nfs/dbraw/zinc/69/37/22/414693722.db2.gz PXXRJMCUIADETJ-INIZCTEOSA-N 2 2 292.427 0.977 20 0 CCADLP O[C@H]1CC[N@@H+](C2CCN(CCC[NH+]3CCOCC3)CC2)C1 ZINC000662152912 414694346 /nfs/dbraw/zinc/69/43/46/414694346.db2.gz JBWCAXYKTIEHHH-INIZCTEOSA-N 2 2 297.443 0.240 20 0 CCADLP O[C@H]1CC[N@H+](C2CCN(CCC[NH+]3CCOCC3)CC2)C1 ZINC000662152912 414694347 /nfs/dbraw/zinc/69/43/47/414694347.db2.gz JBWCAXYKTIEHHH-INIZCTEOSA-N 2 2 297.443 0.240 20 0 CCADLP O[C@H]1CC[N@@H+](C2CC[NH+](CCCN3CCOCC3)CC2)C1 ZINC000662152912 414694348 /nfs/dbraw/zinc/69/43/48/414694348.db2.gz JBWCAXYKTIEHHH-INIZCTEOSA-N 2 2 297.443 0.240 20 0 CCADLP O[C@H]1CC[N@H+](C2CC[NH+](CCCN3CCOCC3)CC2)C1 ZINC000662152912 414694349 /nfs/dbraw/zinc/69/43/49/414694349.db2.gz JBWCAXYKTIEHHH-INIZCTEOSA-N 2 2 297.443 0.240 20 0 CCADLP C[NH2+]CC1CC[NH+](Cc2coc(S(N)(=O)=O)c2)CC1 ZINC000662245485 414698665 /nfs/dbraw/zinc/69/86/65/414698665.db2.gz KEFPWLGJXXXIAO-UHFFFAOYSA-N 2 2 287.385 0.358 20 0 CCADLP CCCC(=O)NC[C@@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662255669 414700470 /nfs/dbraw/zinc/70/04/70/414700470.db2.gz ZYPWGESHPFKJTF-UONOGXRCSA-N 2 2 283.416 0.603 20 0 CCADLP CCCC(=O)NC[C@@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662255669 414700471 /nfs/dbraw/zinc/70/04/71/414700471.db2.gz ZYPWGESHPFKJTF-UONOGXRCSA-N 2 2 283.416 0.603 20 0 CCADLP C[C@H]([NH3+])C(=O)NC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1 ZINC000662741097 414751147 /nfs/dbraw/zinc/75/11/47/414751147.db2.gz CFTKHVJMDSRUDK-ZFWWWQNUSA-N 2 2 290.411 0.266 20 0 CCADLP C[C@H]([NH3+])C(=O)NC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1 ZINC000662741097 414751153 /nfs/dbraw/zinc/75/11/53/414751153.db2.gz CFTKHVJMDSRUDK-ZFWWWQNUSA-N 2 2 290.411 0.266 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000662364655 414712162 /nfs/dbraw/zinc/71/21/62/414712162.db2.gz JRIRBGORLPMXLT-LBPRGKRZSA-N 2 2 260.341 0.991 20 0 CCADLP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH+](C(C)C)CC1 ZINC000662378762 414712845 /nfs/dbraw/zinc/71/28/45/414712845.db2.gz JAXNXEGMLFEBTM-LBPRGKRZSA-N 2 2 257.378 0.291 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662381788 414712958 /nfs/dbraw/zinc/71/29/58/414712958.db2.gz FBLKTUZSXRHEAE-QWRGUYRKSA-N 2 2 288.355 0.502 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2cc(C3CC3)no2)[C@H](C[NH3+])C1 ZINC000662430510 414717788 /nfs/dbraw/zinc/71/77/88/414717788.db2.gz ZAUPAGBXUPHNKW-LLVKDONJSA-N 2 2 278.356 0.196 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2cc(C3CC3)no2)[C@H](C[NH3+])C1 ZINC000662430510 414717789 /nfs/dbraw/zinc/71/77/89/414717789.db2.gz ZAUPAGBXUPHNKW-LLVKDONJSA-N 2 2 278.356 0.196 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000662486461 414722547 /nfs/dbraw/zinc/72/25/47/414722547.db2.gz WMDCWIIEWWNTMU-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000662629125 414734401 /nfs/dbraw/zinc/73/44/01/414734401.db2.gz BSBOXZRYUXTRDV-AGIUHOORSA-N 2 2 271.405 0.585 20 0 CCADLP CC(C)C[C@H]([NH3+])C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000662629125 414734402 /nfs/dbraw/zinc/73/44/02/414734402.db2.gz BSBOXZRYUXTRDV-AGIUHOORSA-N 2 2 271.405 0.585 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000662629161 414734630 /nfs/dbraw/zinc/73/46/30/414734630.db2.gz CLGQHDTZBNGHQS-WOPDTQHZSA-N 2 2 257.378 0.195 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000662629161 414734631 /nfs/dbraw/zinc/73/46/31/414734631.db2.gz CLGQHDTZBNGHQS-WOPDTQHZSA-N 2 2 257.378 0.195 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@]2(C)CC[NH2+]C2)[C@H](C)CO1 ZINC000662630609 414734744 /nfs/dbraw/zinc/73/47/44/414734744.db2.gz LWUQENBZBKBOJS-YRGRVCCFSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@]2(C)CC[NH2+]C2)[C@H](C)CO1 ZINC000662630609 414734745 /nfs/dbraw/zinc/73/47/45/414734745.db2.gz LWUQENBZBKBOJS-YRGRVCCFSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000662632328 414735525 /nfs/dbraw/zinc/73/55/25/414735525.db2.gz CBDXSDJQUXEFHK-FDYHWXHSSA-N 2 2 269.389 0.210 20 0 CCADLP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000662632328 414735526 /nfs/dbraw/zinc/73/55/26/414735526.db2.gz CBDXSDJQUXEFHK-FDYHWXHSSA-N 2 2 269.389 0.210 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)[C@H](C)CO1 ZINC000662632339 414735565 /nfs/dbraw/zinc/73/55/65/414735565.db2.gz CHODXSZSVBPBNW-CXTNEJHOSA-N 2 2 281.400 0.211 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)[C@H](C)CO1 ZINC000662632339 414735566 /nfs/dbraw/zinc/73/55/66/414735566.db2.gz CHODXSZSVBPBNW-CXTNEJHOSA-N 2 2 281.400 0.211 20 0 CCADLP O=C([C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662656685 414737668 /nfs/dbraw/zinc/73/76/68/414737668.db2.gz RPWZDKPNJXCILU-ILXRZTDVSA-N 2 2 293.411 0.450 20 0 CCADLP C[C@@H]1CCC[C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)O1 ZINC000662667862 414738997 /nfs/dbraw/zinc/73/89/97/414738997.db2.gz ZITLDJFATALRHC-UTUOFQBUSA-N 2 2 257.378 0.339 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000662666858 414739248 /nfs/dbraw/zinc/73/92/48/414739248.db2.gz WJYCTOONMHZLDK-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCc2cc(N)ccc21 ZINC000662670126 414739625 /nfs/dbraw/zinc/73/96/25/414739625.db2.gz DSMLQWGNWGBZKB-UONOGXRCSA-N 2 2 276.384 0.651 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)[C@H]3CCO[C@@H]3C[NH3+])cn2c1 ZINC000662687409 414740961 /nfs/dbraw/zinc/74/09/61/414740961.db2.gz BTJAMHSGJXXLJN-QWHCGFSZSA-N 2 2 288.351 0.623 20 0 CCADLP Cn1cc[nH+]c1-c1cccc(NC(=O)C2(O)C[NH2+]C2)c1 ZINC000662685037 414741006 /nfs/dbraw/zinc/74/10/06/414741006.db2.gz NXVCCLMRMPOWKI-UHFFFAOYSA-N 2 2 272.308 0.360 20 0 CCADLP [NH3+][C@H]1C[C@H](C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)C1 ZINC000662694935 414742438 /nfs/dbraw/zinc/74/24/38/414742438.db2.gz DYGMTWPCYSTZAE-YRGRVCCFSA-N 2 2 299.440 0.048 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@H]3C[C@H]([NH3+])C3)CC2)cc[nH+]1 ZINC000662795174 414801025 /nfs/dbraw/zinc/80/10/25/414801025.db2.gz UVQZRCJDWUXFBK-HAQNSBGRSA-N 2 2 275.356 0.171 20 0 CCADLP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@H]1CSC[NH2+]1 ZINC000662840051 414834311 /nfs/dbraw/zinc/83/43/11/414834311.db2.gz XEWDGRUWYPHBBS-TUAOUCFPSA-N 2 2 269.414 0.782 20 0 CCADLP O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)[C@H]1CSC[NH2+]1 ZINC000662840051 414834315 /nfs/dbraw/zinc/83/43/15/414834315.db2.gz XEWDGRUWYPHBBS-TUAOUCFPSA-N 2 2 269.414 0.782 20 0 CCADLP [NH3+]CCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000662850183 414839890 /nfs/dbraw/zinc/83/98/90/414839890.db2.gz OGIUIETUWXLYEM-CABCVRRESA-N 2 2 289.379 0.447 20 0 CCADLP [NH3+]CCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000662850183 414839893 /nfs/dbraw/zinc/83/98/93/414839893.db2.gz OGIUIETUWXLYEM-CABCVRRESA-N 2 2 289.379 0.447 20 0 CCADLP O=C([C@H]1CCC[NH2+]CC1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662870411 414854409 /nfs/dbraw/zinc/85/44/09/414854409.db2.gz HECJAKQKFLBCBY-KBPBESRZSA-N 2 2 281.400 0.309 20 0 CCADLP CC(C)(C)[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662871324 414855762 /nfs/dbraw/zinc/85/57/62/414855762.db2.gz XIZCSSNALYUAFI-VXGBXAGGSA-N 2 2 269.389 0.293 20 0 CCADLP [NH3+]CC12CC(C1)CN2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000662876326 414862964 /nfs/dbraw/zinc/86/29/64/414862964.db2.gz VDSDZIXPEMYNDI-CVZZAPKMSA-N 2 2 260.341 0.395 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC000662966626 414921178 /nfs/dbraw/zinc/92/11/78/414921178.db2.gz TVEZSXINQBOOPI-NSHDSACASA-N 2 2 260.341 0.909 20 0 CCADLP C[C@@H]([NH3+])CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662898969 414879794 /nfs/dbraw/zinc/87/97/94/414879794.db2.gz AHJFAAQWWRZVSS-OCCSQVGLSA-N 3 2 282.432 0.351 20 0 CCADLP C[C@@H]([NH3+])CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662898969 414879797 /nfs/dbraw/zinc/87/97/97/414879797.db2.gz AHJFAAQWWRZVSS-OCCSQVGLSA-N 3 2 282.432 0.351 20 0 CCADLP C[C@]1(C(=O)N(CC[NH+]2CCOCC2)CC2CC2)CC[NH2+]C1 ZINC000662911014 414884428 /nfs/dbraw/zinc/88/44/28/414884428.db2.gz QMRGPVBRLMUQHW-INIZCTEOSA-N 2 2 295.427 0.557 20 0 CCADLP C[C@H](NC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)c1[nH+]ccn1C ZINC000662934745 414904529 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0.698 20 0 CCADLP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000523440688 260223910 /nfs/dbraw/zinc/22/39/10/260223910.db2.gz NIJOMOBXEUUTNR-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000523440688 260223911 /nfs/dbraw/zinc/22/39/11/260223911.db2.gz NIJOMOBXEUUTNR-ZIAGYGMSSA-N 2 2 283.416 0.698 20 0 CCADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H]([NH3+])C(C)C)CC1 ZINC000423783183 533685075 /nfs/dbraw/zinc/68/50/75/533685075.db2.gz JSIWQJZBYNFASY-WCQYABFASA-N 2 2 285.388 0.066 20 0 CCADLP CO[C@]1(C)C[C@H](NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1(C)C ZINC000519118982 265325091 /nfs/dbraw/zinc/32/50/91/265325091.db2.gz WUOOEFQDZRGFOD-SLEUVZQESA-N 2 2 298.431 0.474 20 0 CCADLP CO[C@]1(C)C[C@H](NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1(C)C ZINC000519118982 265325092 /nfs/dbraw/zinc/32/50/92/265325092.db2.gz WUOOEFQDZRGFOD-SLEUVZQESA-N 2 2 298.431 0.474 20 0 CCADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H](C)CO)c2cc1C ZINC000519155541 265335072 /nfs/dbraw/zinc/33/50/72/265335072.db2.gz HKUFHISVOSCLJM-QWHCGFSZSA-N 2 2 277.368 0.984 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cnns3)C2)CC1 ZINC000336818250 276201618 /nfs/dbraw/zinc/20/16/18/276201618.db2.gz URNIVCWESUVDHK-LBPRGKRZSA-N 2 2 281.429 0.750 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnns3)C2)CC1 ZINC000336818250 276201619 /nfs/dbraw/zinc/20/16/19/276201619.db2.gz URNIVCWESUVDHK-LBPRGKRZSA-N 2 2 281.429 0.750 20 0 CCADLP C1CC1[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@@H]1C[NH2+]CCO1 ZINC000423431613 276849779 /nfs/dbraw/zinc/84/97/79/276849779.db2.gz LYEOYNLYIYGZTC-XUWVNRHRSA-N 3 2 279.428 0.731 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1c(C)noc1C ZINC000380486103 545084361 /nfs/dbraw/zinc/08/43/61/545084361.db2.gz BGQPRZGYMKSSKG-GXFFZTMASA-N 2 2 285.388 0.881 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1c(C)noc1C ZINC000380486103 545084362 /nfs/dbraw/zinc/08/43/62/545084362.db2.gz BGQPRZGYMKSSKG-GXFFZTMASA-N 2 2 285.388 0.881 20 0 CCADLP CC(=O)NC[C@@H]1CCC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000331139358 277035002 /nfs/dbraw/zinc/03/50/02/277035002.db2.gz QVCJDMDDSQKDLZ-ZDUSSCGKSA-N 2 2 293.415 0.834 20 0 CCADLP CC(=O)NC[C@@H]1CCC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000331139358 277035003 /nfs/dbraw/zinc/03/50/03/277035003.db2.gz QVCJDMDDSQKDLZ-ZDUSSCGKSA-N 2 2 293.415 0.834 20 0 CCADLP CC(=O)NC[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351441688 277036611 /nfs/dbraw/zinc/03/66/11/277036611.db2.gz JNHFAALYGOZJSH-UKRRQHHQSA-N 2 2 283.416 0.290 20 0 CCADLP CC(=O)NC[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000351441688 277036612 /nfs/dbraw/zinc/03/66/12/277036612.db2.gz JNHFAALYGOZJSH-UKRRQHHQSA-N 2 2 283.416 0.290 20 0 CCADLP CC(=O)NC[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351441688 277036613 /nfs/dbraw/zinc/03/66/13/277036613.db2.gz JNHFAALYGOZJSH-UKRRQHHQSA-N 2 2 283.416 0.290 20 0 CCADLP CC(=O)NC[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000351441688 277036614 /nfs/dbraw/zinc/03/66/14/277036614.db2.gz JNHFAALYGOZJSH-UKRRQHHQSA-N 2 2 283.416 0.290 20 0 CCADLP C[N@@H+]1CCCC12CC[NH+](CC(=O)N1CCOCC1)CC2 ZINC000374981856 277042096 /nfs/dbraw/zinc/04/20/96/277042096.db2.gz RXGSFLIAPARUKB-UHFFFAOYSA-N 2 2 281.400 0.405 20 0 CCADLP C[N@H+]1CCCC12CC[NH+](CC(=O)N1CCOCC1)CC2 ZINC000374981856 277042097 /nfs/dbraw/zinc/04/20/97/277042097.db2.gz RXGSFLIAPARUKB-UHFFFAOYSA-N 2 2 281.400 0.405 20 0 CCADLP C[N@@H+]1CCO[C@@H]2CCN(c3nc[nH+]c(N)c3Cl)C[C@H]21 ZINC000253394855 277121808 /nfs/dbraw/zinc/12/18/08/277121808.db2.gz XMKFLQZSFIZZMS-RKDXNWHRSA-N 2 2 283.763 0.622 20 0 CCADLP C[N@H+]1CCO[C@@H]2CCN(c3nc[nH+]c(N)c3Cl)C[C@H]21 ZINC000253394855 277121809 /nfs/dbraw/zinc/12/18/09/277121809.db2.gz XMKFLQZSFIZZMS-RKDXNWHRSA-N 2 2 283.763 0.622 20 0 CCADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC000329041020 277139767 /nfs/dbraw/zinc/13/97/67/277139767.db2.gz IETYQFPLWJILNI-VXGBXAGGSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@H+]1CC[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC000329041020 277139769 /nfs/dbraw/zinc/13/97/69/277139769.db2.gz IETYQFPLWJILNI-VXGBXAGGSA-N 2 2 262.357 0.895 20 0 CCADLP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358255942 277184158 /nfs/dbraw/zinc/18/41/58/277184158.db2.gz RCTVMZZACDEHDW-OCCSQVGLSA-N 2 2 264.373 0.454 20 0 CCADLP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358255942 277184159 /nfs/dbraw/zinc/18/41/59/277184159.db2.gz RCTVMZZACDEHDW-OCCSQVGLSA-N 2 2 264.373 0.454 20 0 CCADLP C[N@@H+]1CCc2ncnc(N3CCCC[C@H]3C[NH3+])c2C1 ZINC000515525645 277189432 /nfs/dbraw/zinc/18/94/32/277189432.db2.gz VJHFQSSKLBBUHN-NSHDSACASA-N 2 2 261.373 0.782 20 0 CCADLP C[N@H+]1CCc2ncnc(N3CCCC[C@H]3C[NH3+])c2C1 ZINC000515525645 277189433 /nfs/dbraw/zinc/18/94/33/277189433.db2.gz VJHFQSSKLBBUHN-NSHDSACASA-N 2 2 261.373 0.782 20 0 CCADLP COC[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364232392 277258383 /nfs/dbraw/zinc/25/83/83/277258383.db2.gz ZGADOSFNMKWWEU-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP COC[C@H](C)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364232392 277258385 /nfs/dbraw/zinc/25/83/85/277258385.db2.gz ZGADOSFNMKWWEU-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP CC1(C)CCC[NH2+][C@H]1CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000336599507 278223284 /nfs/dbraw/zinc/22/32/84/278223284.db2.gz CPEVHNCYDPVQRL-UWVGGRQHSA-N 2 2 275.343 0.878 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCCOC(C)(C)C1)C1CC1 ZINC000381592902 545084753 /nfs/dbraw/zinc/08/47/53/545084753.db2.gz HTXIBNQWFHTWJF-CYBMUJFWSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C[NH3+])CC1 ZINC000335015709 278310276 /nfs/dbraw/zinc/31/02/76/278310276.db2.gz QLSIUSYWHOIJOH-LLVKDONJSA-N 2 2 265.332 0.990 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCOC(C)(C)C1)C1CC1 ZINC000381592902 545084754 /nfs/dbraw/zinc/08/47/54/545084754.db2.gz HTXIBNQWFHTWJF-CYBMUJFWSA-N 2 2 256.390 0.942 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCCOC(C)(C)C1)C1CC1 ZINC000381592902 545084755 /nfs/dbraw/zinc/08/47/55/545084755.db2.gz HTXIBNQWFHTWJF-CYBMUJFWSA-N 2 2 256.390 0.942 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCCOC(C)(C)C1)C1CC1 ZINC000381592902 545084756 /nfs/dbraw/zinc/08/47/56/545084756.db2.gz HTXIBNQWFHTWJF-CYBMUJFWSA-N 2 2 256.390 0.942 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424277462 278365409 /nfs/dbraw/zinc/36/54/09/278365409.db2.gz ALISZZXKZZBADD-NXEZZACHSA-N 2 2 270.377 0.470 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000414701636 279179456 /nfs/dbraw/zinc/17/94/56/279179456.db2.gz ATHQFDULAMGZNG-KBPBESRZSA-N 3 2 282.432 0.256 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000414701636 279179458 /nfs/dbraw/zinc/17/94/58/279179458.db2.gz ATHQFDULAMGZNG-KBPBESRZSA-N 3 2 282.432 0.256 20 0 CCADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000423038209 279367377 /nfs/dbraw/zinc/36/73/77/279367377.db2.gz NZHCAMYGCNDZRA-ILXRZTDVSA-N 3 2 269.433 0.953 20 0 CCADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000423038209 279367379 /nfs/dbraw/zinc/36/73/79/279367379.db2.gz NZHCAMYGCNDZRA-ILXRZTDVSA-N 3 2 269.433 0.953 20 0 CCADLP O=C(C[NH2+]C[C@H]1CCCO1)NCc1cn2c([nH+]1)CCCC2 ZINC000430905507 279781570 /nfs/dbraw/zinc/78/15/70/279781570.db2.gz YEHFECQEUCTSKG-CYBMUJFWSA-N 2 2 292.383 0.604 20 0 CCADLP CC(C)[C@@H](CNC(=O)NCC[NH+]1CCC1)[NH+]1CCOCC1 ZINC000337389420 279845055 /nfs/dbraw/zinc/84/50/55/279845055.db2.gz JVLDOASKSNRXRV-CQSZACIVSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@H]1[C@H](C)[NH+](C)CCN1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000343582278 280111496 /nfs/dbraw/zinc/11/14/96/280111496.db2.gz KOCVPZYGOAYBJR-ZQDZILKHSA-N 2 2 267.417 0.874 20 0 CCADLP C[C@H]1[C@H](C)[NH+](C)CCN1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000343582278 280111497 /nfs/dbraw/zinc/11/14/97/280111497.db2.gz KOCVPZYGOAYBJR-ZQDZILKHSA-N 2 2 267.417 0.874 20 0 CCADLP C[C@H]1[C@H](C)[N@H+](C)CCN1CC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000343582278 280111494 /nfs/dbraw/zinc/11/14/94/280111494.db2.gz KOCVPZYGOAYBJR-ZQDZILKHSA-N 2 2 267.417 0.874 20 0 CCADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1CC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000343582278 280111495 /nfs/dbraw/zinc/11/14/95/280111495.db2.gz KOCVPZYGOAYBJR-ZQDZILKHSA-N 2 2 267.417 0.874 20 0 CCADLP CC(C)[C@H](C(=O)N1CC[NH+](C2CC2)CC1)[NH+](C)C ZINC000150852174 280150419 /nfs/dbraw/zinc/15/04/19/280150419.db2.gz HOTXFIPBBRSBLA-CYBMUJFWSA-N 2 2 253.390 0.879 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@@H+]1CCOC(C)(C)C1)[C@@H](C)[NH3+] ZINC000423393059 280171209 /nfs/dbraw/zinc/17/12/09/280171209.db2.gz QIXDADKOBVKKIG-OLZOCXBDSA-N 2 2 285.432 0.833 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@H+]1CCOC(C)(C)C1)[C@@H](C)[NH3+] ZINC000423393059 280171212 /nfs/dbraw/zinc/17/12/12/280171212.db2.gz QIXDADKOBVKKIG-OLZOCXBDSA-N 2 2 285.432 0.833 20 0 CCADLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1nccn1C ZINC000271663617 280186774 /nfs/dbraw/zinc/18/67/74/280186774.db2.gz DWUORMJNLDTAAH-CHWSQXEVSA-N 2 2 293.415 0.801 20 0 CCADLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1nccn1C ZINC000271663617 280186777 /nfs/dbraw/zinc/18/67/77/280186777.db2.gz DWUORMJNLDTAAH-CHWSQXEVSA-N 2 2 293.415 0.801 20 0 CCADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420349359 280244100 /nfs/dbraw/zinc/24/41/00/280244100.db2.gz CQGZEDROJYDGTF-XQQFMLRXSA-N 2 2 271.405 0.417 20 0 CCADLP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420349359 280244102 /nfs/dbraw/zinc/24/41/02/280244102.db2.gz CQGZEDROJYDGTF-XQQFMLRXSA-N 2 2 271.405 0.417 20 0 CCADLP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H](C)[NH+]1CCOCC1 ZINC000429602163 280281480 /nfs/dbraw/zinc/28/14/80/280281480.db2.gz OEXDBAWMWQIFMW-QWHCGFSZSA-N 2 2 271.405 0.539 20 0 CCADLP Cc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[nH]n1 ZINC000364206998 280360338 /nfs/dbraw/zinc/36/03/38/280360338.db2.gz MTOKWINKOBELJQ-LBPRGKRZSA-N 2 2 291.399 0.616 20 0 CCADLP Cc1cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[nH]n1 ZINC000364206998 280360341 /nfs/dbraw/zinc/36/03/41/280360341.db2.gz MTOKWINKOBELJQ-LBPRGKRZSA-N 2 2 291.399 0.616 20 0 CCADLP Cc1cc[nH+]cc1N1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000340594859 281488682 /nfs/dbraw/zinc/48/86/82/281488682.db2.gz JWRILSLPAOLIOK-UHFFFAOYSA-N 2 2 298.412 0.191 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCN1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366534780 288345531 /nfs/dbraw/zinc/34/55/31/288345531.db2.gz LXAAZZFCBGXFDF-CABCVRRESA-N 2 2 267.417 0.735 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCN1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366534780 288345533 /nfs/dbraw/zinc/34/55/33/288345533.db2.gz LXAAZZFCBGXFDF-CABCVRRESA-N 2 2 267.417 0.735 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366534780 288345536 /nfs/dbraw/zinc/34/55/36/288345536.db2.gz LXAAZZFCBGXFDF-CABCVRRESA-N 2 2 267.417 0.735 20 0 CCADLP C[C@@H]1COCC[NH+]1CCN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366534780 288345538 /nfs/dbraw/zinc/34/55/38/288345538.db2.gz LXAAZZFCBGXFDF-CABCVRRESA-N 2 2 267.417 0.735 20 0 CCADLP Cc1nc(NC(C)(C)C[NH+](C)C)nc(N(C)C)[nH+]1 ZINC000413360483 281973876 /nfs/dbraw/zinc/97/38/76/281973876.db2.gz NDQGDIJMVAGUBQ-UHFFFAOYSA-N 2 2 252.366 0.998 20 0 CCADLP C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000227121914 288920392 /nfs/dbraw/zinc/92/03/92/288920392.db2.gz DDIIIVKMOPNVHU-GWCFXTLKSA-N 2 2 268.361 0.116 20 0 CCADLP CN1CC[N@H+](C)[C@H](CNC(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000445867003 289050418 /nfs/dbraw/zinc/05/04/18/289050418.db2.gz RCYQJHRJPXSCBU-CYBMUJFWSA-N 2 2 297.447 0.016 20 0 CCADLP CN1CC[N@@H+](C)[C@H](CNC(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000445867003 289050420 /nfs/dbraw/zinc/05/04/20/289050420.db2.gz RCYQJHRJPXSCBU-CYBMUJFWSA-N 2 2 297.447 0.016 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC[C@H]2CO)CC1 ZINC000179282965 289068666 /nfs/dbraw/zinc/06/86/66/289068666.db2.gz NQBOOZVVNLKGSE-AWEZNQCLSA-N 2 2 298.431 0.179 20 0 CCADLP C[C@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000360086000 289251965 /nfs/dbraw/zinc/25/19/65/289251965.db2.gz CFUMDLGNJJHHPG-ZIAGYGMSSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCOCC1 ZINC000360086000 289251966 /nfs/dbraw/zinc/25/19/66/289251966.db2.gz CFUMDLGNJJHHPG-ZIAGYGMSSA-N 2 2 283.416 0.507 20 0 CCADLP C[NH+](C)[C@H](C(=O)NCC(F)(F)C[NH3+])c1ccccc1 ZINC000190240230 289348012 /nfs/dbraw/zinc/34/80/12/289348012.db2.gz RVYZIONJFXISQD-NSHDSACASA-N 2 2 271.311 1.000 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)[NH+]1CCOCC1 ZINC000262102995 289678374 /nfs/dbraw/zinc/67/83/74/289678374.db2.gz FSUHGHVJZZCDRI-TUVASFSCSA-N 2 2 295.427 0.744 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)NC(C)(C)C[NH+]2CCCC2)C1 ZINC000333772153 290077603 /nfs/dbraw/zinc/07/76/03/290077603.db2.gz RWLPRQVNTQVCHW-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)NC(C)(C)C[NH+]2CCCC2)C1 ZINC000333772153 290077604 /nfs/dbraw/zinc/07/76/04/290077604.db2.gz RWLPRQVNTQVCHW-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H](O)C[N@H+](C)C1CC[NH+]([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000361400933 290077741 /nfs/dbraw/zinc/07/77/41/290077741.db2.gz TWEKCLFQDAFJGG-WFASDCNBSA-N 2 2 295.427 0.527 20 0 CCADLP C[C@H](O)C[N@@H+](C)C1CC[NH+]([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000361400933 290077742 /nfs/dbraw/zinc/07/77/42/290077742.db2.gz TWEKCLFQDAFJGG-WFASDCNBSA-N 2 2 295.427 0.527 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000333543376 290108973 /nfs/dbraw/zinc/10/89/73/290108973.db2.gz JNEFHMDIUNBRIN-GFCCVEGCSA-N 2 2 284.404 0.006 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000333543376 290108976 /nfs/dbraw/zinc/10/89/76/290108976.db2.gz JNEFHMDIUNBRIN-GFCCVEGCSA-N 2 2 284.404 0.006 20 0 CCADLP C[N@@H+]1C[C@@H]2CCCN(c3ncnc4c3C[NH+](C)CC4)[C@@H]2C1 ZINC000425286718 290281221 /nfs/dbraw/zinc/28/12/21/290281221.db2.gz QZBPODQEMQBRJM-SWLSCSKDSA-N 2 2 287.411 0.995 20 0 CCADLP C[N@H+]1C[C@@H]2CCCN(c3ncnc4c3C[NH+](C)CC4)[C@@H]2C1 ZINC000425286718 290281224 /nfs/dbraw/zinc/28/12/24/290281224.db2.gz QZBPODQEMQBRJM-SWLSCSKDSA-N 2 2 287.411 0.995 20 0 CCADLP C[NH+]1C[C@@H]2CCCN(c3ncnc4c3C[N@H+](C)CC4)[C@@H]2C1 ZINC000425286718 290281225 /nfs/dbraw/zinc/28/12/25/290281225.db2.gz QZBPODQEMQBRJM-SWLSCSKDSA-N 2 2 287.411 0.995 20 0 CCADLP C[NH+]1C[C@@H]2CCCN(c3ncnc4c3C[N@@H+](C)CC4)[C@@H]2C1 ZINC000425286718 290281228 /nfs/dbraw/zinc/28/12/28/290281228.db2.gz QZBPODQEMQBRJM-SWLSCSKDSA-N 2 2 287.411 0.995 20 0 CCADLP [NH3+]C1CC[NH+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000092714161 295213910 /nfs/dbraw/zinc/21/39/10/295213910.db2.gz PUIQHPCIOIRJSS-KGLIPLIRSA-N 2 2 281.400 0.580 20 0 CCADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000420382009 295240883 /nfs/dbraw/zinc/24/08/83/295240883.db2.gz DEOCZZSQCJNSSS-GDBMZVCRSA-N 3 2 293.411 0.787 20 0 CCADLP COc1ccc([C@H](C[NH3+])C[N@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000420382009 295240884 /nfs/dbraw/zinc/24/08/84/295240884.db2.gz DEOCZZSQCJNSSS-GDBMZVCRSA-N 3 2 293.411 0.787 20 0 CCADLP CCC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](CCOC)C2)C1 ZINC000389428473 545086729 /nfs/dbraw/zinc/08/67/29/545086729.db2.gz XLJFKJBFSCAQOF-UONOGXRCSA-N 2 2 255.406 0.781 20 0 CCADLP CCC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](CCOC)C2)C1 ZINC000389428473 545086730 /nfs/dbraw/zinc/08/67/30/545086730.db2.gz XLJFKJBFSCAQOF-UONOGXRCSA-N 2 2 255.406 0.781 20 0 CCADLP CCC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](CCOC)C2)C1 ZINC000389428473 545086731 /nfs/dbraw/zinc/08/67/31/545086731.db2.gz XLJFKJBFSCAQOF-UONOGXRCSA-N 2 2 255.406 0.781 20 0 CCADLP CCC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](CCOC)C2)C1 ZINC000389428473 545086732 /nfs/dbraw/zinc/08/67/32/545086732.db2.gz XLJFKJBFSCAQOF-UONOGXRCSA-N 2 2 255.406 0.781 20 0 CCADLP C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261588480 298148510 /nfs/dbraw/zinc/14/85/10/298148510.db2.gz KFSMSUODEJKJGE-KATARQTJSA-N 2 2 279.306 0.723 20 0 CCADLP C[C@H](C(=O)NCC(F)(F)F)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261588480 298148512 /nfs/dbraw/zinc/14/85/12/298148512.db2.gz KFSMSUODEJKJGE-KATARQTJSA-N 2 2 279.306 0.723 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000362890211 300225787 /nfs/dbraw/zinc/22/57/87/300225787.db2.gz FHHMMMKKNWINST-DZGCQCFKSA-N 3 2 296.459 0.326 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000362890211 300225789 /nfs/dbraw/zinc/22/57/89/300225789.db2.gz FHHMMMKKNWINST-DZGCQCFKSA-N 3 2 296.459 0.326 20 0 CCADLP Cc1ccccc1[C@@H]1C(=O)NCC[N@H+]1CCOCC[NH3+] ZINC000420370073 302144828 /nfs/dbraw/zinc/14/48/28/302144828.db2.gz YIIABQDKEAUUBJ-CQSZACIVSA-N 2 2 277.368 0.443 20 0 CCADLP Cc1ccccc1[C@@H]1C(=O)NCC[N@@H+]1CCOCC[NH3+] ZINC000420370073 302144832 /nfs/dbraw/zinc/14/48/32/302144832.db2.gz YIIABQDKEAUUBJ-CQSZACIVSA-N 2 2 277.368 0.443 20 0 CCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)NCC[NH3+] ZINC000416883288 302666684 /nfs/dbraw/zinc/66/66/84/302666684.db2.gz JJMVQQICZCFRPX-UHFFFAOYSA-N 2 2 261.329 0.603 20 0 CCADLP [NH3+]CC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000178669385 303367428 /nfs/dbraw/zinc/36/74/28/303367428.db2.gz IGOVHGVFMHQBHY-CYBMUJFWSA-N 2 2 263.341 0.135 20 0 CCADLP [NH3+]CCC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000040858232 303373326 /nfs/dbraw/zinc/37/33/26/303373326.db2.gz IWWLEJNMOINMHF-LLVKDONJSA-N 2 2 283.397 0.586 20 0 CCADLP OC[C@H](Cc1ccccc1)[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423054990 304830902 /nfs/dbraw/zinc/83/09/02/304830902.db2.gz CMKBARRWBVDLLI-GVDBMIGSSA-N 2 2 290.407 0.947 20 0 CCADLP OC[C@H](Cc1ccccc1)[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423054992 304830986 /nfs/dbraw/zinc/83/09/86/304830986.db2.gz CMKBARRWBVDLLI-YESZJQIVSA-N 2 2 290.407 0.947 20 0 CCADLP [NH3+][C@H]1C[C@@H](C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2)C1 ZINC000570848788 327626063 /nfs/dbraw/zinc/62/60/63/327626063.db2.gz NKJHZLNMVKEDRM-AOOOYVTPSA-N 3 2 257.297 0.943 20 0 CCADLP Cc1cccn2cc(CC(=O)NC[C@@H](C)C[NH3+])[nH+]c12 ZINC000574920078 327639452 /nfs/dbraw/zinc/63/94/52/327639452.db2.gz YLEIKAOGOTWMBH-JTQLQIEISA-N 2 2 260.341 0.896 20 0 CCADLP [NH3+]CCC1CCN(C(=O)[C@@H]([NH3+])c2cscn2)CC1 ZINC000580206401 327732864 /nfs/dbraw/zinc/73/28/64/327732864.db2.gz DKHPWHSNCPYSTE-NSHDSACASA-N 2 2 268.386 0.730 20 0 CCADLP COc1c(N)[nH+]cnc1N1CC[NH+](C2CCC2)CC1 ZINC000378695195 327752094 /nfs/dbraw/zinc/75/20/94/327752094.db2.gz CHVOUOGPKZTKEE-UHFFFAOYSA-N 2 2 263.345 0.742 20 0 CCADLP COCC(C)(C)[NH+]1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC000583990474 326828359 /nfs/dbraw/zinc/82/83/59/326828359.db2.gz DSUBNKPOSOCXIP-UHFFFAOYSA-N 2 2 294.399 0.830 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]2CCCS2)C[C@H](C)O1 ZINC000576508708 327033992 /nfs/dbraw/zinc/03/39/92/327033992.db2.gz IHMVTXYDUTXGRG-RQJABVFESA-N 2 2 288.457 0.942 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@@H]2CCCS2)C[C@H](C)O1 ZINC000576508708 327033994 /nfs/dbraw/zinc/03/39/94/327033994.db2.gz IHMVTXYDUTXGRG-RQJABVFESA-N 2 2 288.457 0.942 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)C[C@H]1CCCC[C@H]1O ZINC000573739768 327254887 /nfs/dbraw/zinc/25/48/87/327254887.db2.gz CKZYYNVUHJJYDY-QLFBSQMISA-N 2 2 288.432 0.408 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@H]1CCCC[C@H]1O ZINC000573739768 327254889 /nfs/dbraw/zinc/25/48/89/327254889.db2.gz CKZYYNVUHJJYDY-QLFBSQMISA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000573739768 327254890 /nfs/dbraw/zinc/25/48/90/327254890.db2.gz CKZYYNVUHJJYDY-QLFBSQMISA-N 2 2 288.432 0.408 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000573739768 327254891 /nfs/dbraw/zinc/25/48/91/327254891.db2.gz CKZYYNVUHJJYDY-QLFBSQMISA-N 2 2 288.432 0.408 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1cccc(C(N)=O)c1)C1CC1 ZINC000574684434 327364380 /nfs/dbraw/zinc/36/43/80/327364380.db2.gz OBBJTCDLOIZNMY-AWEZNQCLSA-N 2 2 277.368 0.330 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1cccc(C(N)=O)c1)C1CC1 ZINC000574684434 327364381 /nfs/dbraw/zinc/36/43/81/327364381.db2.gz OBBJTCDLOIZNMY-AWEZNQCLSA-N 2 2 277.368 0.330 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)Nc1ccc(-c2n[nH]c(C[NH3+])n2)cc1 ZINC000583439751 327365785 /nfs/dbraw/zinc/36/57/85/327365785.db2.gz NWTRFRWLJHDPBF-GFCCVEGCSA-N 2 2 288.355 0.852 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000579588570 327393325 /nfs/dbraw/zinc/39/33/25/327393325.db2.gz BZEFARWIGLODCK-RYUDHWBXSA-N 2 2 279.388 0.048 20 0 CCADLP C[C@@H](NC(=O)[C@H]1CC[NH2+][C@H]1C)[C@@H](C)[NH+]1CCOCC1 ZINC000579953128 327412340 /nfs/dbraw/zinc/41/23/40/327412340.db2.gz GLFDUWNTZCXIPF-XQHKEYJVSA-N 2 2 269.389 0.210 20 0 CCADLP C[C@@H](CC(=O)NC[C@@H]1C[NH2+]CCCO1)n1cc[nH+]c1 ZINC000582248375 328847675 /nfs/dbraw/zinc/84/76/75/328847675.db2.gz ATYSAPHNJGYJKA-RYUDHWBXSA-N 2 2 266.345 0.329 20 0 CCADLP [NH3+]CCC1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000583696889 329067679 /nfs/dbraw/zinc/06/76/79/329067679.db2.gz LTUFWWJHWSWTGV-UHFFFAOYSA-N 2 2 291.399 0.878 20 0 CCADLP [NH3+]CCC1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000583696889 329067681 /nfs/dbraw/zinc/06/76/81/329067681.db2.gz LTUFWWJHWSWTGV-UHFFFAOYSA-N 2 2 291.399 0.878 20 0 CCADLP C[C@H](C[NH2+]Cc1ccn2cc[nH+]c2c1)S(C)(=O)=O ZINC000582481947 329095678 /nfs/dbraw/zinc/09/56/78/329095678.db2.gz MUQJYZQEJIMBNK-SNVBAGLBSA-N 2 2 267.354 0.857 20 0 CCADLP COC[C@]1(C(=O)N2CCC(n3cc[nH+]c3)CC2)CC[NH2+]C1 ZINC000582603816 329114426 /nfs/dbraw/zinc/11/44/26/329114426.db2.gz WNRRHPRAIJQVFB-HNNXBMFYSA-N 2 2 292.383 0.673 20 0 CCADLP C[C@@H](CC(=O)NCC[N@@H+]1CCO[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000582668096 329122168 /nfs/dbraw/zinc/12/21/68/329122168.db2.gz MAYWEZOVEOLWFL-ZNMIVQPWSA-N 2 2 297.443 0.849 20 0 CCADLP C[C@@H](CC(=O)NCC[N@H+]1CCO[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000582668096 329122169 /nfs/dbraw/zinc/12/21/69/329122169.db2.gz MAYWEZOVEOLWFL-ZNMIVQPWSA-N 2 2 297.443 0.849 20 0 CCADLP Cc1nc(N)c(CNC(=O)C23CCC[NH+]2CCC3)c[nH+]1 ZINC000582727902 329131788 /nfs/dbraw/zinc/13/17/88/329131788.db2.gz GZRCFMLURNDIDA-UHFFFAOYSA-N 2 2 275.356 0.442 20 0 CCADLP Cn1c(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)nnc1C1CC1 ZINC000582908272 329286771 /nfs/dbraw/zinc/28/67/71/329286771.db2.gz VRINQJABBHXEEW-CYBMUJFWSA-N 2 2 290.415 0.172 20 0 CCADLP Cn1c(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)nnc1C1CC1 ZINC000582908272 329286772 /nfs/dbraw/zinc/28/67/72/329286772.db2.gz VRINQJABBHXEEW-CYBMUJFWSA-N 2 2 290.415 0.172 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000583153530 329323836 /nfs/dbraw/zinc/32/38/36/329323836.db2.gz NZTKPEAYMVVEIN-RWMBFGLXSA-N 2 2 294.399 0.502 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000583153530 329323837 /nfs/dbraw/zinc/32/38/37/329323837.db2.gz NZTKPEAYMVVEIN-RWMBFGLXSA-N 2 2 294.399 0.502 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000583153530 329323838 /nfs/dbraw/zinc/32/38/38/329323838.db2.gz NZTKPEAYMVVEIN-RWMBFGLXSA-N 2 2 294.399 0.502 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000583153530 329323839 /nfs/dbraw/zinc/32/38/39/329323839.db2.gz NZTKPEAYMVVEIN-RWMBFGLXSA-N 2 2 294.399 0.502 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C23CCC[NH+]2CCC3)CCO1 ZINC000575790492 335115245 /nfs/dbraw/zinc/11/52/45/335115245.db2.gz BEQKTLKDMJPLIS-CYBMUJFWSA-N 2 2 281.400 0.452 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C23CCC[NH+]2CCC3)CCO1 ZINC000575790492 335115246 /nfs/dbraw/zinc/11/52/46/335115246.db2.gz BEQKTLKDMJPLIS-CYBMUJFWSA-N 2 2 281.400 0.452 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000575869385 335126543 /nfs/dbraw/zinc/12/65/43/335126543.db2.gz WVWYPPHKTNIQSS-MRXNPFEDSA-N 2 2 297.443 0.995 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000575869385 335126544 /nfs/dbraw/zinc/12/65/44/335126544.db2.gz WVWYPPHKTNIQSS-MRXNPFEDSA-N 2 2 297.443 0.995 20 0 CCADLP C[C@@H]1C[N@@H+](CCCNC(=O)CC(F)(F)C[NH3+])C[C@H](C)O1 ZINC000575931286 335132793 /nfs/dbraw/zinc/13/27/93/335132793.db2.gz NHOSIBKGRSGZKW-PHIMTYICSA-N 2 2 293.358 0.586 20 0 CCADLP C[C@@H]1C[N@H+](CCCNC(=O)CC(F)(F)C[NH3+])C[C@H](C)O1 ZINC000575931286 335132795 /nfs/dbraw/zinc/13/27/95/335132795.db2.gz NHOSIBKGRSGZKW-PHIMTYICSA-N 2 2 293.358 0.586 20 0 CCADLP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]([NH3+])c2cscn2)C1 ZINC000576223247 335172978 /nfs/dbraw/zinc/17/29/78/335172978.db2.gz UEPMJEMYERMDIP-ONGXEEELSA-N 2 2 268.386 0.696 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000566171477 334631229 /nfs/dbraw/zinc/63/12/29/334631229.db2.gz MCTOXMDVAFUGOQ-WCQYABFASA-N 2 2 272.352 0.991 20 0 CCADLP C[NH2+]C1CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000576280417 335182149 /nfs/dbraw/zinc/18/21/49/335182149.db2.gz UXEWVKMBNVKAIP-HOTGVXAUSA-N 3 2 277.412 0.601 20 0 CCADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N(C)CC[NH+]1CCOCC1 ZINC000576515886 335213387 /nfs/dbraw/zinc/21/33/87/335213387.db2.gz ASALSSSVJLXNPF-VXGBXAGGSA-N 2 2 272.393 0.086 20 0 CCADLP CCO[C@@H]1CCCC[C@H]1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000576568996 335219781 /nfs/dbraw/zinc/21/97/81/335219781.db2.gz HIUXSNYDTHHDIC-BFHYXJOUSA-N 2 2 298.431 0.618 20 0 CCADLP CCO[C@@H]1CCCC[C@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000576568996 335219783 /nfs/dbraw/zinc/21/97/83/335219783.db2.gz HIUXSNYDTHHDIC-BFHYXJOUSA-N 2 2 298.431 0.618 20 0 CCADLP C[C@@]1(C[NH3+])CC[N@@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000580564762 335287103 /nfs/dbraw/zinc/28/71/03/335287103.db2.gz IYILVCJLAXNGLG-NSHDSACASA-N 2 2 260.403 0.482 20 0 CCADLP CC(C)COC[C@@H](O)C[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000580543794 335270379 /nfs/dbraw/zinc/27/03/79/335270379.db2.gz RZQQNHTZGZKCIF-CABCVRRESA-N 2 2 288.432 0.578 20 0 CCADLP [NH3+][C@H](C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1cscn1 ZINC000576984056 335273363 /nfs/dbraw/zinc/27/33/63/335273363.db2.gz JNKAGHXKTYGMFN-PWSUYJOCSA-N 2 2 280.397 0.840 20 0 CCADLP C[C@@]1(C[NH3+])CC[N@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000580564762 335287102 /nfs/dbraw/zinc/28/71/02/335287102.db2.gz IYILVCJLAXNGLG-NSHDSACASA-N 2 2 260.403 0.482 20 0 CCADLP COc1c(N)[nH+]cnc1NCC[NH+]1CCC(C)CC1 ZINC000580583035 335291015 /nfs/dbraw/zinc/29/10/15/335291015.db2.gz XSYQCHREGRGKMS-UHFFFAOYSA-N 2 2 265.361 0.633 20 0 CCADLP CCc1ccc(OCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000577391892 335347300 /nfs/dbraw/zinc/34/73/00/335347300.db2.gz AJIZISLFMOAINY-AWEZNQCLSA-N 2 2 291.395 0.729 20 0 CCADLP CCc1ccc(OCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000577391892 335347301 /nfs/dbraw/zinc/34/73/01/335347301.db2.gz AJIZISLFMOAINY-AWEZNQCLSA-N 2 2 291.395 0.729 20 0 CCADLP CCc1ccc(OCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000577391893 335347362 /nfs/dbraw/zinc/34/73/62/335347362.db2.gz AJIZISLFMOAINY-CQSZACIVSA-N 2 2 291.395 0.729 20 0 CCADLP CCc1ccc(OCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000577391893 335347363 /nfs/dbraw/zinc/34/73/63/335347363.db2.gz AJIZISLFMOAINY-CQSZACIVSA-N 2 2 291.395 0.729 20 0 CCADLP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1nnnn1CC1CC1 ZINC000577620642 335379974 /nfs/dbraw/zinc/37/99/74/335379974.db2.gz AJHHATKYPKWANP-JQWIXIFHSA-N 2 2 264.377 0.561 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000577727579 335393139 /nfs/dbraw/zinc/39/31/39/335393139.db2.gz SASKNPJUMPQAOC-GFCCVEGCSA-N 2 2 282.413 0.827 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CCO1 ZINC000581075036 336004748 /nfs/dbraw/zinc/00/47/48/336004748.db2.gz OVXNPRFASAIVCG-OFQRWUPVSA-N 2 2 295.427 0.603 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CCO1 ZINC000581075036 336004749 /nfs/dbraw/zinc/00/47/49/336004749.db2.gz OVXNPRFASAIVCG-OFQRWUPVSA-N 2 2 295.427 0.603 20 0 CCADLP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+] ZINC000581656597 336118553 /nfs/dbraw/zinc/11/85/53/336118553.db2.gz RVNJJOPZFXPRQA-KBPBESRZSA-N 3 2 297.447 0.145 20 0 CCADLP CC[NH+]1CCCC[C@H]1CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000581656597 336118554 /nfs/dbraw/zinc/11/85/54/336118554.db2.gz RVNJJOPZFXPRQA-KBPBESRZSA-N 3 2 297.447 0.145 20 0 CCADLP CC[NH+]1CCCC[C@H]1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000581656597 336118556 /nfs/dbraw/zinc/11/85/56/336118556.db2.gz RVNJJOPZFXPRQA-KBPBESRZSA-N 3 2 297.447 0.145 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000581667429 336125417 /nfs/dbraw/zinc/12/54/17/336125417.db2.gz UCEDTGKHXHFKNM-GFCCVEGCSA-N 2 2 274.430 0.743 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+](CC2(CS(C)(=O)=O)CC2)C1 ZINC000581667429 336125419 /nfs/dbraw/zinc/12/54/19/336125419.db2.gz UCEDTGKHXHFKNM-GFCCVEGCSA-N 2 2 274.430 0.743 20 0 CCADLP [NH3+][C@@H](CC(F)F)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000385788351 336156546 /nfs/dbraw/zinc/15/65/46/336156546.db2.gz IDOXAMNVUKMSBO-LBPRGKRZSA-N 2 2 298.337 0.708 20 0 CCADLP c1cc(N2C[C@H]3CCC[C@@H](C2)[NH2+]3)nc(N2CCOCC2)[nH+]1 ZINC000581934050 336172024 /nfs/dbraw/zinc/17/20/24/336172024.db2.gz DLXHXKFECSYNOD-BETUJISGSA-N 2 2 289.383 0.644 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCS[C@@H](C)[C@@H]1C ZINC000386445676 336174712 /nfs/dbraw/zinc/17/47/12/336174712.db2.gz QOWOACPTEWNXCR-AVGNSLFASA-N 2 2 276.446 0.751 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCS[C@@H](C)[C@@H]1C ZINC000386445676 336174714 /nfs/dbraw/zinc/17/47/14/336174714.db2.gz QOWOACPTEWNXCR-AVGNSLFASA-N 2 2 276.446 0.751 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000386445676 336174715 /nfs/dbraw/zinc/17/47/15/336174715.db2.gz QOWOACPTEWNXCR-AVGNSLFASA-N 2 2 276.446 0.751 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCS[C@@H](C)[C@@H]1C ZINC000386445676 336174717 /nfs/dbraw/zinc/17/47/17/336174717.db2.gz QOWOACPTEWNXCR-AVGNSLFASA-N 2 2 276.446 0.751 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CCO1 ZINC000417429720 545093954 /nfs/dbraw/zinc/09/39/54/545093954.db2.gz WAJBGJQAZJLULN-QWHCGFSZSA-N 2 2 298.431 0.666 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CCO1 ZINC000417429720 545093955 /nfs/dbraw/zinc/09/39/55/545093955.db2.gz WAJBGJQAZJLULN-QWHCGFSZSA-N 2 2 298.431 0.666 20 0 CCADLP C[C@H]1CCCC[N@@H+]1CCC(=O)N1C[C@@H]2[C@H](C1)OCC[NH+]2C ZINC000413853177 545093020 /nfs/dbraw/zinc/09/30/20/545093020.db2.gz HYAUIMMNLPNKHC-ZNMIVQPWSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@H]1CCCC[N@H+]1CCC(=O)N1C[C@@H]2[C@H](C1)OCC[NH+]2C ZINC000413853177 545093021 /nfs/dbraw/zinc/09/30/21/545093021.db2.gz HYAUIMMNLPNKHC-ZNMIVQPWSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@H]1CCCC[NH+]1CCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000413853177 545093022 /nfs/dbraw/zinc/09/30/22/545093022.db2.gz HYAUIMMNLPNKHC-ZNMIVQPWSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@H]1CCCC[NH+]1CCC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000413853177 545093023 /nfs/dbraw/zinc/09/30/23/545093023.db2.gz HYAUIMMNLPNKHC-ZNMIVQPWSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H](O)CNc1cc(N[C@H]2CCn3cc[nH+]c3C2)nc[nH+]1 ZINC000413245249 533719366 /nfs/dbraw/zinc/71/93/66/533719366.db2.gz FZIYGDPPBFYQNZ-MNOVXSKESA-N 2 2 288.355 0.893 20 0 CCADLP C[C@@H](O)CNc1cc(N[C@H]2CCn3cc[nH+]c3C2)[nH+]cn1 ZINC000413245249 533719375 /nfs/dbraw/zinc/71/93/75/533719375.db2.gz FZIYGDPPBFYQNZ-MNOVXSKESA-N 2 2 288.355 0.893 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000424191981 533799612 /nfs/dbraw/zinc/79/96/12/533799612.db2.gz OIMYJOXGHGLVES-DTWKUNHWSA-N 2 2 261.316 0.488 20 0 CCADLP C[C@H](C(=O)NC(=O)NC1CCCCC1)[NH+]1CCC([NH3+])CC1 ZINC000430640528 545094809 /nfs/dbraw/zinc/09/48/09/545094809.db2.gz RDXRUDSBTHOJBB-LLVKDONJSA-N 2 2 296.415 0.957 20 0 CCADLP Cc1cc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])n(C)n1 ZINC000424331249 533941420 /nfs/dbraw/zinc/94/14/20/533941420.db2.gz JIUNRAUVLMUAEM-GHMZBOCLSA-N 2 2 265.361 0.527 20 0 CCADLP COC(=O)c1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)nc1 ZINC000367523865 534118653 /nfs/dbraw/zinc/11/86/53/534118653.db2.gz QFULAYOKHFEGNB-BETUJISGSA-N 2 2 275.352 0.862 20 0 CCADLP COC(=O)c1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)nc1 ZINC000367523865 534118660 /nfs/dbraw/zinc/11/86/60/534118660.db2.gz QFULAYOKHFEGNB-BETUJISGSA-N 2 2 275.352 0.862 20 0 CCADLP COC(=O)c1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)nc1 ZINC000367523865 534118664 /nfs/dbraw/zinc/11/86/64/534118664.db2.gz QFULAYOKHFEGNB-BETUJISGSA-N 2 2 275.352 0.862 20 0 CCADLP COC(=O)c1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)nc1 ZINC000367523865 534118670 /nfs/dbraw/zinc/11/86/70/534118670.db2.gz QFULAYOKHFEGNB-BETUJISGSA-N 2 2 275.352 0.862 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000423721081 534229140 /nfs/dbraw/zinc/22/91/40/534229140.db2.gz BLORZOQFSFSOQB-BARDWOONSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000423721081 534229143 /nfs/dbraw/zinc/22/91/43/534229143.db2.gz BLORZOQFSFSOQB-BARDWOONSA-N 2 2 295.427 0.839 20 0 CCADLP CN(C)C(=O)CC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000516488343 536074161 /nfs/dbraw/zinc/07/41/61/536074161.db2.gz MWJFRWGYFOZKFH-NSHDSACASA-N 2 2 250.346 0.688 20 0 CCADLP CN(C)C(=O)CC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000516488343 536074168 /nfs/dbraw/zinc/07/41/68/536074168.db2.gz MWJFRWGYFOZKFH-NSHDSACASA-N 2 2 250.346 0.688 20 0 CCADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493691465 534275685 /nfs/dbraw/zinc/27/56/85/534275685.db2.gz SPBPZWNXFHYDTF-BLDJZWNYSA-N 2 2 278.356 0.336 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493691465 534275688 /nfs/dbraw/zinc/27/56/88/534275688.db2.gz SPBPZWNXFHYDTF-BLDJZWNYSA-N 2 2 278.356 0.336 20 0 CCADLP CC(C)[C@@H](C[NH+](C)C)[NH2+]C[C@@H](O)Cn1cccn1 ZINC000049203992 519793570 /nfs/dbraw/zinc/79/35/70/519793570.db2.gz WNPUMUKBJOFKMC-CHWSQXEVSA-N 2 2 254.378 0.420 20 0 CCADLP CC(C)[C@@H](CNC(=O)[C@@H]1CCCC[NH2+]1)[NH+]1CCOCC1 ZINC000164309575 519794642 /nfs/dbraw/zinc/79/46/42/519794642.db2.gz KVVGDKITAPHICQ-UONOGXRCSA-N 2 2 283.416 0.602 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000184543887 521117640 /nfs/dbraw/zinc/11/76/40/521117640.db2.gz VQITZJJXNCJCNY-UHFFFAOYSA-N 2 2 280.368 0.862 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000184543887 521117649 /nfs/dbraw/zinc/11/76/49/521117649.db2.gz VQITZJJXNCJCNY-UHFFFAOYSA-N 2 2 280.368 0.862 20 0 CCADLP COC(=O)c1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c[nH]1 ZINC000357137944 521844418 /nfs/dbraw/zinc/84/44/18/521844418.db2.gz VVURQKFNHSFXQK-RYUDHWBXSA-N 2 2 263.341 0.843 20 0 CCADLP COC(=O)c1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c[nH]1 ZINC000357137944 521844435 /nfs/dbraw/zinc/84/44/35/521844435.db2.gz VVURQKFNHSFXQK-RYUDHWBXSA-N 2 2 263.341 0.843 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150836031 523348118 /nfs/dbraw/zinc/34/81/18/523348118.db2.gz DFWNBKJJZWMBCL-HUUCEWRRSA-N 2 2 297.443 0.945 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150836031 523348124 /nfs/dbraw/zinc/34/81/24/523348124.db2.gz DFWNBKJJZWMBCL-HUUCEWRRSA-N 2 2 297.443 0.945 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000424160045 534721244 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545213241 /nfs/dbraw/zinc/21/32/41/545213241.db2.gz NOWCJFAYDUUWEK-UHFFFAOYSA-N 2 2 273.340 0.965 20 0 CCADLP CCC[C@H](O)C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000450429877 528247509 /nfs/dbraw/zinc/24/75/09/528247509.db2.gz NTTFQVCWVBPDHF-ZDUSSCGKSA-N 2 2 293.415 0.826 20 0 CCADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])C1CCC1 ZINC000669545012 545214201 /nfs/dbraw/zinc/21/42/01/545214201.db2.gz VKCHYXCOHQZTMV-JQWIXIFHSA-N 2 2 254.378 0.459 20 0 CCADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])C1CCC1 ZINC000669545012 545214202 /nfs/dbraw/zinc/21/42/02/545214202.db2.gz VKCHYXCOHQZTMV-JQWIXIFHSA-N 2 2 254.378 0.459 20 0 CCADLP O=C(NC[C@@H]1CCCC[NH2+]1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000669588677 545215654 /nfs/dbraw/zinc/21/56/54/545215654.db2.gz INMQCAPEVPIFJW-MNOVXSKESA-N 2 2 277.372 0.708 20 0 CCADLP O=C(NC[C@@H]1CCCC[NH2+]1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000669588677 545215655 /nfs/dbraw/zinc/21/56/55/545215655.db2.gz INMQCAPEVPIFJW-MNOVXSKESA-N 2 2 277.372 0.708 20 0 CCADLP CC(C)C[C@@H](C[NH3+])NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000418244237 528306493 /nfs/dbraw/zinc/30/64/93/528306493.db2.gz SEWOOPNXSWKONE-QWRGUYRKSA-N 2 2 279.388 0.940 20 0 CCADLP CC(C)C[C@@H](C[NH3+])NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000418244237 528306499 /nfs/dbraw/zinc/30/64/99/528306499.db2.gz SEWOOPNXSWKONE-QWRGUYRKSA-N 2 2 279.388 0.940 20 0 CCADLP C[C@H]1C[N@@H+](CCN2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000669690542 545219121 /nfs/dbraw/zinc/21/91/21/545219121.db2.gz HMPKNBHAWHBYIS-HNNXBMFYSA-N 2 2 290.411 0.924 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000418605460 528399755 /nfs/dbraw/zinc/39/97/55/528399755.db2.gz POTPYBUJFFGKTE-GFCCVEGCSA-N 2 2 267.377 0.913 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000418587601 528406461 /nfs/dbraw/zinc/40/64/61/528406461.db2.gz CZQUEASOKWSYQG-OLZOCXBDSA-N 2 2 286.420 0.394 20 0 CCADLP CC[NH2+][C@H](C)CNC(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000418587601 528406464 /nfs/dbraw/zinc/40/64/64/528406464.db2.gz CZQUEASOKWSYQG-OLZOCXBDSA-N 2 2 286.420 0.394 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000424015913 528481275 /nfs/dbraw/zinc/48/12/75/528481275.db2.gz CYGPJMOCMWWXLR-KBPBESRZSA-N 2 2 299.415 0.064 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000424015913 528481280 /nfs/dbraw/zinc/48/12/80/528481280.db2.gz CYGPJMOCMWWXLR-KBPBESRZSA-N 2 2 299.415 0.064 20 0 CCADLP CCC[NH2+]CCNC(=O)NCc1c[nH+]ccc1OC ZINC000418218719 528499454 /nfs/dbraw/zinc/49/94/54/528499454.db2.gz RIUWFUUCIMGPNC-UHFFFAOYSA-N 2 2 266.345 0.889 20 0 CCADLP O=C1CCCN1CC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986791 545241199 /nfs/dbraw/zinc/24/11/99/545241199.db2.gz XVLKWSDCKIUOGE-HNNXBMFYSA-N 2 2 295.427 0.796 20 0 CCADLP O=C1CCCN1CC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670986791 545241200 /nfs/dbraw/zinc/24/12/00/545241200.db2.gz XVLKWSDCKIUOGE-HNNXBMFYSA-N 2 2 295.427 0.796 20 0 CCADLP C[N@H+](CC(=O)N[C@H]1CCc2c[nH+]cn2C1)[C@H]1CCSC1 ZINC000672153172 545263621 /nfs/dbraw/zinc/26/36/21/545263621.db2.gz SXPULEUOIPMXQX-AAEUAGOBSA-N 2 2 294.424 0.751 20 0 CCADLP C[N@@H+](CC(=O)N[C@H]1CCc2c[nH+]cn2C1)[C@H]1CCSC1 ZINC000672153172 545263622 /nfs/dbraw/zinc/26/36/22/545263622.db2.gz SXPULEUOIPMXQX-AAEUAGOBSA-N 2 2 294.424 0.751 20 0 CCADLP CC(C)[C@@H](C(=O)N[C@H]1CCc2c[nH+]cn2C1)[NH+](C)C ZINC000672155122 545263926 /nfs/dbraw/zinc/26/39/26/545263926.db2.gz RIXYXKSDJKVTEJ-AAEUAGOBSA-N 2 2 264.373 0.900 20 0 CCADLP CCC[C@@H]([NH3+])C(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000423870079 528963393 /nfs/dbraw/zinc/96/33/93/528963393.db2.gz ONCLLROFHNLCRO-UONOGXRCSA-N 2 2 283.416 0.683 20 0 CCADLP CCC[C@@H]([NH3+])C(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000423870079 528963400 /nfs/dbraw/zinc/96/34/00/528963400.db2.gz ONCLLROFHNLCRO-UONOGXRCSA-N 2 2 283.416 0.683 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)N(C)CC[NH+]1CCOCC1 ZINC000423739577 528990576 /nfs/dbraw/zinc/99/05/76/528990576.db2.gz GBMOXMXFKTXUCP-LBPRGKRZSA-N 2 2 257.378 0.008 20 0 CCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[NH2+]C[C@@](C)(F)C2)C1 ZINC000423691711 529054242 /nfs/dbraw/zinc/05/42/42/529054242.db2.gz PUOKAPVTNJSVPY-GXTWGEPZSA-N 2 2 287.379 0.256 20 0 CCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[NH2+]C[C@@](C)(F)C2)C1 ZINC000423691711 529054249 /nfs/dbraw/zinc/05/42/49/529054249.db2.gz PUOKAPVTNJSVPY-GXTWGEPZSA-N 2 2 287.379 0.256 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@H]2CCC[NH+]2C2CC2)CCO1 ZINC000425934051 529118636 /nfs/dbraw/zinc/11/86/36/529118636.db2.gz YVHLFKJDYFEQKD-CQSZACIVSA-N 2 2 295.427 0.840 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@H]2CCC[NH+]2C2CC2)CCO1 ZINC000425934051 529118639 /nfs/dbraw/zinc/11/86/39/529118639.db2.gz YVHLFKJDYFEQKD-CQSZACIVSA-N 2 2 295.427 0.840 20 0 CCADLP CC1(C)C[NH+](CCNC(=O)[C@H]2CCC[N@@H+]2C2CC2)CCO1 ZINC000425934051 529118641 /nfs/dbraw/zinc/11/86/41/529118641.db2.gz YVHLFKJDYFEQKD-CQSZACIVSA-N 2 2 295.427 0.840 20 0 CCADLP CC1(C)C[NH+](CCNC(=O)[C@H]2CCC[N@H+]2C2CC2)CCO1 ZINC000425934051 529118642 /nfs/dbraw/zinc/11/86/42/529118642.db2.gz YVHLFKJDYFEQKD-CQSZACIVSA-N 2 2 295.427 0.840 20 0 CCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC000673642805 545289668 /nfs/dbraw/zinc/28/96/68/545289668.db2.gz HAYQCSNYDQCXIE-LLVKDONJSA-N 2 2 261.329 0.841 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000673657884 545290256 /nfs/dbraw/zinc/29/02/56/545290256.db2.gz GTBZMNSQNCFXGI-UHFFFAOYSA-N 2 2 258.281 0.568 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3ccon3)C2)CC1 ZINC000673669937 545290483 /nfs/dbraw/zinc/29/04/83/545290483.db2.gz XLHNOCUJFKFIKZ-CYBMUJFWSA-N 2 2 292.383 0.502 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3ccon3)C2)CC1 ZINC000673669937 545290484 /nfs/dbraw/zinc/29/04/84/545290484.db2.gz XLHNOCUJFKFIKZ-CYBMUJFWSA-N 2 2 292.383 0.502 20 0 CCADLP CC[C@H]1CN(C(=O)[C@H]2CSC[NH2+]2)C[C@H]1[NH+]1CCOCC1 ZINC000423873122 529279215 /nfs/dbraw/zinc/27/92/15/529279215.db2.gz LAUCXLFKPPVJKO-YNEHKIRRSA-N 2 2 299.440 0.218 20 0 CCADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)CC[NH+]1CCOCC1 ZINC000423751014 529331260 /nfs/dbraw/zinc/33/12/60/529331260.db2.gz UNCJVXIQRJTMGS-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000674119822 545299953 /nfs/dbraw/zinc/29/99/53/545299953.db2.gz XPMVIRQBCXHWHJ-NEPJUHHUSA-N 2 2 250.346 0.872 20 0 CCADLP CC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000456524765 529354696 /nfs/dbraw/zinc/35/46/96/529354696.db2.gz GQBWNWYDHUVNCS-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000456524765 529354698 /nfs/dbraw/zinc/35/46/98/529354698.db2.gz GQBWNWYDHUVNCS-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@@H](C)NC(=O)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000361430554 529363449 /nfs/dbraw/zinc/36/34/49/529363449.db2.gz QDAMVLRVEVFBGS-CABCVRRESA-N 2 2 296.459 0.613 20 0 CCADLP CC[C@@H](C)NC(=O)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000361430554 529363450 /nfs/dbraw/zinc/36/34/50/529363450.db2.gz QDAMVLRVEVFBGS-CABCVRRESA-N 2 2 296.459 0.613 20 0 CCADLP CCC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CC(C)C2)CC1 ZINC000515354696 534923514 /nfs/dbraw/zinc/92/35/14/534923514.db2.gz FZSGQLXGRCRKEF-ZDUSSCGKSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@@H](C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[NH+](C)C ZINC000674289746 545303083 /nfs/dbraw/zinc/30/30/83/545303083.db2.gz QLIGXCXXZUACRL-LBPRGKRZSA-N 2 2 295.387 0.104 20 0 CCADLP C[C@@H]1CN(C[C@H]2C[N@H+](C)CCO2)CC[NH+]1[C@H]1CCCOC1 ZINC000674300701 545303622 /nfs/dbraw/zinc/30/36/22/545303622.db2.gz DXAYQGVVVULOTR-OWCLPIDISA-N 2 2 297.443 0.502 20 0 CCADLP C[C@@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CC[NH+]1[C@H]1CCCOC1 ZINC000674300701 545303623 /nfs/dbraw/zinc/30/36/23/545303623.db2.gz DXAYQGVVVULOTR-OWCLPIDISA-N 2 2 297.443 0.502 20 0 CCADLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@@H+]1[C@H]1CCCOC1 ZINC000674300701 545303624 /nfs/dbraw/zinc/30/36/24/545303624.db2.gz DXAYQGVVVULOTR-OWCLPIDISA-N 2 2 297.443 0.502 20 0 CCADLP C[C@@H]1CN(C[C@H]2C[NH+](C)CCO2)CC[N@H+]1[C@H]1CCCOC1 ZINC000674300701 545303625 /nfs/dbraw/zinc/30/36/25/545303625.db2.gz DXAYQGVVVULOTR-OWCLPIDISA-N 2 2 297.443 0.502 20 0 CCADLP CC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000675782476 545331422 /nfs/dbraw/zinc/33/14/22/545331422.db2.gz UMSIUOVKLHQJBQ-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@H](C)Cn2cc[nH+]c2)C1(C)C ZINC000253361115 535439735 /nfs/dbraw/zinc/43/97/35/535439735.db2.gz BYCPKSXIKJZATQ-LALPHHSUSA-N 2 2 294.399 0.920 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000262160847 535528779 /nfs/dbraw/zinc/52/87/79/535528779.db2.gz UWHGTARUAXJROM-WCQYABFASA-N 2 2 257.378 0.341 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000676387802 545342941 /nfs/dbraw/zinc/34/29/41/545342941.db2.gz ISTRCTXFDMSYDI-KFWWJZLASA-N 2 2 295.427 0.792 20 0 CCADLP CCC[C@H]([NH3+])C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000262705117 535678373 /nfs/dbraw/zinc/67/83/73/535678373.db2.gz LMJXBLRFAWUSQB-WOPDTQHZSA-N 2 2 257.378 0.339 20 0 CCADLP C[C@H]1CC[N@H+](CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000676844061 545353774 /nfs/dbraw/zinc/35/37/74/545353774.db2.gz KYVQRFZXBKLACL-STQMWFEESA-N 2 2 276.384 0.904 20 0 CCADLP C[C@H]1CC[N@@H+](CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000676844061 545353775 /nfs/dbraw/zinc/35/37/75/545353775.db2.gz KYVQRFZXBKLACL-STQMWFEESA-N 2 2 276.384 0.904 20 0 CCADLP C[C@H]1CC[N@H+](CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000676844059 545353892 /nfs/dbraw/zinc/35/38/92/545353892.db2.gz KYVQRFZXBKLACL-QWHCGFSZSA-N 2 2 276.384 0.904 20 0 CCADLP C[C@H]1CC[N@@H+](CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000676844059 545353893 /nfs/dbraw/zinc/35/38/93/545353893.db2.gz KYVQRFZXBKLACL-QWHCGFSZSA-N 2 2 276.384 0.904 20 0 CCADLP CC[N@@H+]1CCN(c2nc(C)[nH+]c(N(C)C)n2)C[C@@H]1C ZINC000677153763 545358604 /nfs/dbraw/zinc/35/86/04/545358604.db2.gz UTKMXPTVOXESQK-JTQLQIEISA-N 2 2 264.377 0.776 20 0 CCADLP CC[N@H+]1CCN(c2nc(C)[nH+]c(N(C)C)n2)C[C@@H]1C ZINC000677153763 545358605 /nfs/dbraw/zinc/35/86/05/545358605.db2.gz UTKMXPTVOXESQK-JTQLQIEISA-N 2 2 264.377 0.776 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NCCC[NH+](C)C)C1 ZINC000677380463 545364372 /nfs/dbraw/zinc/36/43/72/545364372.db2.gz HITSKOWSKHYEDZ-LBPRGKRZSA-N 2 2 279.388 0.871 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCO[C@H](Cn2cncn2)C1 ZINC000677818170 545373707 /nfs/dbraw/zinc/37/37/07/545373707.db2.gz WCQQPVXNOQHSBO-AWEZNQCLSA-N 2 2 290.371 0.574 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CCO[C@H](Cn2cncn2)C1 ZINC000677818170 545373708 /nfs/dbraw/zinc/37/37/08/545373708.db2.gz WCQQPVXNOQHSBO-AWEZNQCLSA-N 2 2 290.371 0.574 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000678082208 545384192 /nfs/dbraw/zinc/38/41/92/545384192.db2.gz JWMJHLJIJYEDEX-UKRRQHHQSA-N 2 2 295.427 0.827 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000678082208 545384193 /nfs/dbraw/zinc/38/41/93/545384193.db2.gz JWMJHLJIJYEDEX-UKRRQHHQSA-N 2 2 295.427 0.827 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC(C)(C)OCC2(C)C)CC1 ZINC000678519769 545393869 /nfs/dbraw/zinc/39/38/69/545393869.db2.gz ILOLWQRFVBWOHU-UHFFFAOYSA-N 2 2 283.416 0.650 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC(C)(C)OCC2(C)C)CC1 ZINC000678519769 545393870 /nfs/dbraw/zinc/39/38/70/545393870.db2.gz ILOLWQRFVBWOHU-UHFFFAOYSA-N 2 2 283.416 0.650 20 0 CCADLP CNC(=O)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261799028 536323338 /nfs/dbraw/zinc/32/33/38/536323338.db2.gz QQXUIXAUTHAHSS-OLZOCXBDSA-N 2 2 290.367 0.116 20 0 CCADLP CNC(=O)NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261799028 536323340 /nfs/dbraw/zinc/32/33/40/536323340.db2.gz QQXUIXAUTHAHSS-OLZOCXBDSA-N 2 2 290.367 0.116 20 0 CCADLP CCn1cnnc1CC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000678586601 545395204 /nfs/dbraw/zinc/39/52/04/545395204.db2.gz BKGQMLJGDWQIHO-YPMHNXCESA-N 2 2 263.389 0.913 20 0 CCADLP CCn1cnnc1CC[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000678586601 545395205 /nfs/dbraw/zinc/39/52/05/545395205.db2.gz BKGQMLJGDWQIHO-YPMHNXCESA-N 2 2 263.389 0.913 20 0 CCADLP C[N@@H+]1CCCC12CC[NH+](CC(=O)N1CCNC1=O)CC2 ZINC000369963465 536352900 /nfs/dbraw/zinc/35/29/00/536352900.db2.gz QPQMNEAEERZJEP-UHFFFAOYSA-N 2 2 280.372 0.098 20 0 CCADLP C[N@H+]1CCCC12CC[NH+](CC(=O)N1CCNC1=O)CC2 ZINC000369963465 536352902 /nfs/dbraw/zinc/35/29/02/536352902.db2.gz QPQMNEAEERZJEP-UHFFFAOYSA-N 2 2 280.372 0.098 20 0 CCADLP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1COCC[NH+]1C ZINC000345209189 536403452 /nfs/dbraw/zinc/40/34/52/536403452.db2.gz LAEHCZQRUMGWHQ-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H]1COCC[NH+]1C ZINC000345209189 536403454 /nfs/dbraw/zinc/40/34/54/536403454.db2.gz LAEHCZQRUMGWHQ-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)[C@@H]1COCC[N@@H+]1C ZINC000345209189 536403457 /nfs/dbraw/zinc/40/34/57/536403457.db2.gz LAEHCZQRUMGWHQ-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)[C@@H]1COCC[N@H+]1C ZINC000345209189 536403461 /nfs/dbraw/zinc/40/34/61/536403461.db2.gz LAEHCZQRUMGWHQ-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP C[NH+]1CCN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000262724988 536407185 /nfs/dbraw/zinc/40/71/85/536407185.db2.gz GXGOIOXRMKTAPB-LBPRGKRZSA-N 2 2 277.372 0.195 20 0 CCADLP CN1CCC[C@H]([NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC000679318712 545406951 /nfs/dbraw/zinc/40/69/51/545406951.db2.gz UWHSCVXLTZLGKB-CABCVRRESA-N 2 2 294.443 0.319 20 0 CCADLP CN1CCC[C@H]([NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC000679318712 545406952 /nfs/dbraw/zinc/40/69/52/545406952.db2.gz UWHSCVXLTZLGKB-CABCVRRESA-N 2 2 294.443 0.319 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC=CCC2)C1 ZINC000679324428 545407224 /nfs/dbraw/zinc/40/72/24/545407224.db2.gz ZZYKFODTXMZOAD-OAHLLOKOSA-N 2 2 295.427 0.721 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC=CCC2)C1 ZINC000679324428 545407225 /nfs/dbraw/zinc/40/72/25/545407225.db2.gz ZZYKFODTXMZOAD-OAHLLOKOSA-N 2 2 295.427 0.721 20 0 CCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC=CCC2)C1 ZINC000679324428 545407226 /nfs/dbraw/zinc/40/72/26/545407226.db2.gz ZZYKFODTXMZOAD-OAHLLOKOSA-N 2 2 295.427 0.721 20 0 CCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC=CCC2)C1 ZINC000679324428 545407227 /nfs/dbraw/zinc/40/72/27/545407227.db2.gz ZZYKFODTXMZOAD-OAHLLOKOSA-N 2 2 295.427 0.721 20 0 CCADLP C[C@@H](CCn1cccn1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000679386467 545408316 /nfs/dbraw/zinc/40/83/16/545408316.db2.gz OHRXEFMHUAWQJG-ZDUSSCGKSA-N 2 2 279.388 0.025 20 0 CCADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)[nH]1 ZINC000427128217 536669835 /nfs/dbraw/zinc/66/98/35/536669835.db2.gz KAWKUWNPGIQORQ-PWSUYJOCSA-N 2 2 263.341 0.985 20 0 CCADLP COC(=O)c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)[nH]1 ZINC000427128217 536669844 /nfs/dbraw/zinc/66/98/44/536669844.db2.gz KAWKUWNPGIQORQ-PWSUYJOCSA-N 2 2 263.341 0.985 20 0 CCADLP C[C@@H](C(=O)Nc1cc(N(C)C)cc[nH+]1)N1CC[NH+](C)CC1 ZINC000680260566 545424356 /nfs/dbraw/zinc/42/43/56/545424356.db2.gz XBDGIKUCQNUNDG-LBPRGKRZSA-N 2 2 291.399 0.722 20 0 CCADLP COCCCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369274447 536870507 /nfs/dbraw/zinc/87/05/07/536870507.db2.gz PGGLPLXDGKURJS-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP COCCCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369274447 536870510 /nfs/dbraw/zinc/87/05/10/536870510.db2.gz PGGLPLXDGKURJS-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP COCC[NH2+]C1CC[NH+](Cc2cccc(C(N)=O)c2)CC1 ZINC000515352605 536893622 /nfs/dbraw/zinc/89/36/22/536893622.db2.gz JGSNVAKIIFAOPL-UHFFFAOYSA-N 2 2 291.395 0.986 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC000682469225 545479972 /nfs/dbraw/zinc/47/99/72/545479972.db2.gz WCLAKMGXWUNOTQ-STQMWFEESA-N 2 2 276.384 0.902 20 0 CCADLP CCN1OC[C@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)C1=O ZINC000682677084 545487288 /nfs/dbraw/zinc/48/72/88/545487288.db2.gz OHEXXNFBCJSJMJ-AWEZNQCLSA-N 2 2 281.400 0.957 20 0 CCADLP CCS(=O)(=O)CCCCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000682756038 545489487 /nfs/dbraw/zinc/48/94/87/545489487.db2.gz WWFTXAKGWITWSE-BETUJISGSA-N 2 2 274.430 0.743 20 0 CCADLP CCS(=O)(=O)CCCCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000682756038 545489488 /nfs/dbraw/zinc/48/94/88/545489488.db2.gz WWFTXAKGWITWSE-BETUJISGSA-N 2 2 274.430 0.743 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1[C@H]2C[N@H+](CC3CCC3)C[C@H]21 ZINC000961891095 649885585 /nfs/dbraw/zinc/88/55/85/649885585.db2.gz RWCDTAKMFRAAJK-NHAGDIPZSA-N 2 2 274.368 0.799 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1[C@H]2C[N@@H+](CC3CCC3)C[C@H]21 ZINC000961891095 649885586 /nfs/dbraw/zinc/88/55/86/649885586.db2.gz RWCDTAKMFRAAJK-NHAGDIPZSA-N 2 2 274.368 0.799 20 0 CCADLP Fc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(-c2nn[nH]n2)c1 ZINC000737647588 581114038 /nfs/dbraw/zinc/11/40/38/581114038.db2.gz GZPCYPMIZRXUDS-PHIMTYICSA-N 2 2 288.330 0.657 20 0 CCADLP Fc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(-c2nn[nH]n2)c1 ZINC000737647588 581114040 /nfs/dbraw/zinc/11/40/40/581114040.db2.gz GZPCYPMIZRXUDS-PHIMTYICSA-N 2 2 288.330 0.657 20 0 CCADLP C[C@H]1OCC[C@@]12C[N@H+](C[C@H](O)C[NH+]1CCCC1)C[C@@H](C)O2 ZINC000790365513 581185273 /nfs/dbraw/zinc/18/52/73/581185273.db2.gz BRQDTLXHTGPQBW-KLHDSHLOSA-N 2 2 298.427 0.711 20 0 CCADLP C[C@H]1OCC[C@@]12C[N@@H+](C[C@H](O)C[NH+]1CCCC1)C[C@@H](C)O2 ZINC000790365513 581185275 /nfs/dbraw/zinc/18/52/75/581185275.db2.gz BRQDTLXHTGPQBW-KLHDSHLOSA-N 2 2 298.427 0.711 20 0 CCADLP CC[C@H](CO)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000779779599 581204221 /nfs/dbraw/zinc/20/42/21/581204221.db2.gz DSPJPHQGFLNRAF-CYBMUJFWSA-N 2 2 285.432 0.489 20 0 CCADLP CC[C@H](CO)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000779779599 581204222 /nfs/dbraw/zinc/20/42/22/581204222.db2.gz DSPJPHQGFLNRAF-CYBMUJFWSA-N 2 2 285.432 0.489 20 0 CCADLP Cn1c[nH+]cc1CCOC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000793241305 581289317 /nfs/dbraw/zinc/28/93/17/581289317.db2.gz KEFZHRTVDGJRPK-LBPRGKRZSA-N 2 2 251.330 0.990 20 0 CCADLP Cn1c[nH+]cc1CCOC(=O)[C@@H]1CCCC[N@H+]1C ZINC000793241305 581289318 /nfs/dbraw/zinc/28/93/18/581289318.db2.gz KEFZHRTVDGJRPK-LBPRGKRZSA-N 2 2 251.330 0.990 20 0 CCADLP C[N@@H+]1CC[C@]2(CC[NH+](CN3CCOC3=S)C2)C1 ZINC000793745274 581310448 /nfs/dbraw/zinc/31/04/48/581310448.db2.gz NBNZKHPFUVDDNV-LBPRGKRZSA-N 2 2 255.387 0.589 20 0 CCADLP C[N@H+]1CC[C@]2(CC[NH+](CN3CCOC3=S)C2)C1 ZINC000793745274 581310449 /nfs/dbraw/zinc/31/04/49/581310449.db2.gz NBNZKHPFUVDDNV-LBPRGKRZSA-N 2 2 255.387 0.589 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@H+](CN3CCOC3=S)C2)C1 ZINC000793745274 581310450 /nfs/dbraw/zinc/31/04/50/581310450.db2.gz NBNZKHPFUVDDNV-LBPRGKRZSA-N 2 2 255.387 0.589 20 0 CCADLP C[NH+]1CC[C@]2(CC[N@@H+](CN3CCOC3=S)C2)C1 ZINC000793745274 581310453 /nfs/dbraw/zinc/31/04/53/581310453.db2.gz NBNZKHPFUVDDNV-LBPRGKRZSA-N 2 2 255.387 0.589 20 0 CCADLP CO[C@H]1CC[N@H+](CN2C[C@@H](c3c[nH+]cn3C)CC2=O)C1 ZINC000783989933 581370034 /nfs/dbraw/zinc/37/00/34/581370034.db2.gz OSNQGVAMWOZUTB-RYUDHWBXSA-N 2 2 278.356 0.414 20 0 CCADLP CO[C@H]1CC[N@@H+](CN2C[C@@H](c3c[nH+]cn3C)CC2=O)C1 ZINC000783989933 581370036 /nfs/dbraw/zinc/37/00/36/581370036.db2.gz OSNQGVAMWOZUTB-RYUDHWBXSA-N 2 2 278.356 0.414 20 0 CCADLP C[C@H]1C[N@H+](CN2C[C@H](c3c[nH+]cn3C)CC2=O)CCCO1 ZINC000783985224 581370045 /nfs/dbraw/zinc/37/00/45/581370045.db2.gz TXXHIXQDQZPMOG-QWHCGFSZSA-N 2 2 292.383 0.804 20 0 CCADLP C[C@H]1C[N@@H+](CN2C[C@H](c3c[nH+]cn3C)CC2=O)CCCO1 ZINC000783985224 581370046 /nfs/dbraw/zinc/37/00/46/581370046.db2.gz TXXHIXQDQZPMOG-QWHCGFSZSA-N 2 2 292.383 0.804 20 0 CCADLP C[C@@H]1CC[C@@H](C)C1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000794604367 581379210 /nfs/dbraw/zinc/37/92/10/581379210.db2.gz LPIQYBFOGDWKCM-VXGBXAGGSA-N 2 2 253.390 0.785 20 0 CCADLP C[C@H]1COC(C)(C)C[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000753833562 581560130 /nfs/dbraw/zinc/56/01/30/581560130.db2.gz GGJVEGLHWKVZRP-STQMWFEESA-N 2 2 256.390 0.942 20 0 CCADLP C[C@H]1COC(C)(C)C[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000753833562 581560134 /nfs/dbraw/zinc/56/01/34/581560134.db2.gz GGJVEGLHWKVZRP-STQMWFEESA-N 2 2 256.390 0.942 20 0 CCADLP C[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)S(C)(=O)=O ZINC000754085856 581574843 /nfs/dbraw/zinc/57/48/43/581574843.db2.gz QXCIBGMMWOUZRS-LLVKDONJSA-N 2 2 294.380 0.790 20 0 CCADLP C[C@H]1CN(C(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)CCO1 ZINC000745984484 581892245 /nfs/dbraw/zinc/89/22/45/581892245.db2.gz LVSSTRUVJPHUFD-LBPRGKRZSA-N 2 2 292.383 0.836 20 0 CCADLP Cn1c(Cl)nc(Cl)c1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000762556342 581951325 /nfs/dbraw/zinc/95/13/25/581951325.db2.gz NVCIGZQCVNADEG-NSHDSACASA-N 2 2 293.198 0.883 20 0 CCADLP Cn1c(Cl)nc(Cl)c1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000762556342 581951326 /nfs/dbraw/zinc/95/13/26/581951326.db2.gz NVCIGZQCVNADEG-NSHDSACASA-N 2 2 293.198 0.883 20 0 CCADLP C[C@H](C[NH2+]C1CCN(C=O)CC1)C[NH+]1CCOCC1 ZINC000774202245 581964456 /nfs/dbraw/zinc/96/44/56/581964456.db2.gz 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ZINC000776000849 582048671 /nfs/dbraw/zinc/04/86/71/582048671.db2.gz MTPLENMVNFZHGG-MELADBBJSA-N 2 2 253.390 0.486 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)CC[NH+]1CCOCC1)c1ccco1 ZINC000750863282 582061892 /nfs/dbraw/zinc/06/18/92/582061892.db2.gz ZZVDCYFNKAJVAI-CYBMUJFWSA-N 2 2 295.383 0.721 20 0 CCADLP CCO[C@H](C[NH2+]C[C@](C)(O)C(F)F)C[NH+](C)C ZINC000905580796 615484024 /nfs/dbraw/zinc/48/40/24/615484024.db2.gz QCKDTTMNVAEPHF-KOLCDFICSA-N 2 2 254.321 0.559 20 0 CCADLP COC[C@](C)(CC(=O)OC)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903905609 616821851 /nfs/dbraw/zinc/82/18/51/616821851.db2.gz JTRLJVXTSLXWNX-KWQFWETISA-N 2 2 268.304 0.527 20 0 CCADLP CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000925772802 617182957 /nfs/dbraw/zinc/18/29/57/617182957.db2.gz URRORWXYZVROCM-DDHJBXDOSA-N 2 2 260.403 0.812 20 0 CCADLP COc1cc(C[NH2+]CC2([NH3+])CC2)cc(OC)c1O ZINC000904443707 617189213 /nfs/dbraw/zinc/18/92/13/617189213.db2.gz MZILVYGHCIYBLN-UHFFFAOYSA-N 2 2 252.314 0.990 20 0 CCADLP 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CCC[N@H+]1CCC[C@@H](C(=O)N(C)C[C@@H]2C[NH+](C)CCO2)C1 ZINC000913506870 614646901 /nfs/dbraw/zinc/64/69/01/614646901.db2.gz IGYNNAJTXHZPDO-CABCVRRESA-N 2 2 297.443 0.897 20 0 CCADLP CCC[NH+]1CCC[C@@H](C(=O)N(C)C[C@@H]2C[N@H+](C)CCO2)C1 ZINC000913506870 614646903 /nfs/dbraw/zinc/64/69/03/614646903.db2.gz IGYNNAJTXHZPDO-CABCVRRESA-N 2 2 297.443 0.897 20 0 CCADLP CCC[NH+]1CCC[C@@H](C(=O)N(C)C[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000913506870 614646907 /nfs/dbraw/zinc/64/69/07/614646907.db2.gz IGYNNAJTXHZPDO-CABCVRRESA-N 2 2 297.443 0.897 20 0 CCADLP CC1(C)C[N@H+](CCF)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000977592588 614651808 /nfs/dbraw/zinc/65/18/08/614651808.db2.gz DZGCENWJTRCFCE-GFCCVEGCSA-N 2 2 271.380 0.878 20 0 CCADLP CC1(C)C[N@@H+](CCF)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000977592588 614651811 /nfs/dbraw/zinc/65/18/11/614651811.db2.gz DZGCENWJTRCFCE-GFCCVEGCSA-N 2 2 271.380 0.878 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)CCO1 ZINC000870877325 614655781 /nfs/dbraw/zinc/65/57/81/614655781.db2.gz OARCCHOKAVQNOS-BETUJISGSA-N 2 2 283.416 0.731 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)CCO1 ZINC000870877325 614655783 /nfs/dbraw/zinc/65/57/83/614655783.db2.gz OARCCHOKAVQNOS-BETUJISGSA-N 2 2 283.416 0.731 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)C1C[NH+](C[C@H](C)O)C1 ZINC000950469930 614659309 /nfs/dbraw/zinc/65/93/09/614659309.db2.gz UJGLMHXBQIZINU-DZGCQCFKSA-N 2 2 297.443 0.774 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N(CC)C1C[NH+](C[C@H](C)O)C1 ZINC000950469930 614659310 /nfs/dbraw/zinc/65/93/10/614659310.db2.gz UJGLMHXBQIZINU-DZGCQCFKSA-N 2 2 297.443 0.774 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000912615946 614680946 /nfs/dbraw/zinc/68/09/46/614680946.db2.gz WXGTVDGILRZACH-NEPJUHHUSA-N 2 2 280.372 0.444 20 0 CCADLP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](CO)c1c[nH+]cn1C ZINC000912615946 614680947 /nfs/dbraw/zinc/68/09/47/614680947.db2.gz WXGTVDGILRZACH-NEPJUHHUSA-N 2 2 280.372 0.444 20 0 CCADLP CCC[NH+]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000957667733 614686348 /nfs/dbraw/zinc/68/63/48/614686348.db2.gz PFFQWWXGXDPXMW-AWEZNQCLSA-N 2 2 283.416 0.509 20 0 CCADLP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000902395686 614704322 /nfs/dbraw/zinc/70/43/22/614704322.db2.gz DUCHASUFDLFVGP-JTQLQIEISA-N 3 2 279.388 0.509 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)/C=C(/C)C[NH+]2CCOCC2)C1 ZINC000912683258 614707692 /nfs/dbraw/zinc/70/76/92/614707692.db2.gz HNTPZLSMENWTMQ-QKXCFHHRSA-N 2 2 295.427 0.865 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)/C=C(/C)C[NH+]2CCOCC2)C1 ZINC000912683258 614707695 /nfs/dbraw/zinc/70/76/95/614707695.db2.gz HNTPZLSMENWTMQ-QKXCFHHRSA-N 2 2 295.427 0.865 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)NCC(C)C)CC1 ZINC000846764230 614866405 /nfs/dbraw/zinc/86/64/05/614866405.db2.gz FHQOVXIRNQOTIO-HNNXBMFYSA-N 2 2 299.459 0.783 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)NCC(C)C)CC1 ZINC000846764230 614866407 /nfs/dbraw/zinc/86/64/07/614866407.db2.gz FHQOVXIRNQOTIO-HNNXBMFYSA-N 2 2 299.459 0.783 20 0 CCADLP CCC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000970577423 614893114 /nfs/dbraw/zinc/89/31/14/614893114.db2.gz UBFIEWBHBLJOQQ-LLVKDONJSA-N 2 2 250.346 0.861 20 0 CCADLP CCCNc1cc(NCC[N@@H+]2CC[C@H](O)C2)nc[nH+]1 ZINC000865977690 614922286 /nfs/dbraw/zinc/92/22/86/614922286.db2.gz QYZXGQHNRWOOFQ-NSHDSACASA-N 2 2 265.361 0.777 20 0 CCADLP CCCNc1cc(NCC[N@H+]2CC[C@H](O)C2)nc[nH+]1 ZINC000865977690 614922288 /nfs/dbraw/zinc/92/22/88/614922288.db2.gz QYZXGQHNRWOOFQ-NSHDSACASA-N 2 2 265.361 0.777 20 0 CCADLP CCCOC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000842475640 614930636 /nfs/dbraw/zinc/93/06/36/614930636.db2.gz XBCBJDJOJYJODQ-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP CCCOC(=O)[C@@H](C)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000842475640 614930637 /nfs/dbraw/zinc/93/06/37/614930637.db2.gz XBCBJDJOJYJODQ-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)NC(=O)Cc1[nH]cc[nH+]1 ZINC000847002045 615001130 /nfs/dbraw/zinc/00/11/30/615001130.db2.gz PKEPWYOPYQHIOK-LLVKDONJSA-N 2 2 268.361 0.161 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)[NH2+]C[C@H](O)c1ccc(F)cn1 ZINC000843102897 615001781 /nfs/dbraw/zinc/00/17/81/615001781.db2.gz HLXNXQTVKKPNMY-HIFRSBDPSA-N 2 2 299.390 0.937 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC)C1 ZINC000984448544 615004230 /nfs/dbraw/zinc/00/42/30/615004230.db2.gz WEZQOUKZLNZEEQ-KKUMJFAQSA-N 2 2 297.443 0.992 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC)C1 ZINC000984448544 615004232 /nfs/dbraw/zinc/00/42/32/615004232.db2.gz WEZQOUKZLNZEEQ-KKUMJFAQSA-N 2 2 297.443 0.992 20 0 CCADLP CC[NH+]1CCC(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC000900354801 615099078 /nfs/dbraw/zinc/09/90/78/615099078.db2.gz NSYJAEBSEMAZBX-UHFFFAOYSA-N 2 2 250.346 0.800 20 0 CCADLP CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC000979452476 615110203 /nfs/dbraw/zinc/11/02/03/615110203.db2.gz YWYORZLSLXHWBO-RYUDHWBXSA-N 2 2 266.345 0.109 20 0 CCADLP CCO/C=C\C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000847485273 615143476 /nfs/dbraw/zinc/14/34/76/615143476.db2.gz BMKNSBRXXKMESM-YLBKJLTLSA-N 2 2 281.400 0.821 20 0 CCADLP CCO/C=C\C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000847485273 615143477 /nfs/dbraw/zinc/14/34/77/615143477.db2.gz BMKNSBRXXKMESM-YLBKJLTLSA-N 2 2 281.400 0.821 20 0 CCADLP CCOC(=O)c1cc(C[NH2+]CCn2cc[nH+]c2)on1 ZINC000876893109 615175424 /nfs/dbraw/zinc/17/54/24/615175424.db2.gz VOYSKANEVCDBMQ-UHFFFAOYSA-N 2 2 264.285 0.838 20 0 CCADLP CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@H]2C[NH2+]CCOC2)C1 ZINC000925646448 615228855 /nfs/dbraw/zinc/22/88/55/615228855.db2.gz UVQNPYMQWDNCDU-RDBSUJKOSA-N 2 2 299.415 0.821 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000925409960 615253874 /nfs/dbraw/zinc/25/38/74/615253874.db2.gz GUNZACYZCKFCBJ-CYBMUJFWSA-N 2 2 284.404 0.054 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000925409960 615253877 /nfs/dbraw/zinc/25/38/77/615253877.db2.gz GUNZACYZCKFCBJ-CYBMUJFWSA-N 2 2 284.404 0.054 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NC[C@@H]1CCCCC[NH2+]1 ZINC000902481397 615327316 /nfs/dbraw/zinc/32/73/16/615327316.db2.gz CIMFEABSILCPMT-YNEHKIRRSA-N 2 2 269.389 0.402 20 0 CCADLP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2cnsn2)C1)[NH+](C)C ZINC000969986469 615374723 /nfs/dbraw/zinc/37/47/23/615374723.db2.gz ZUWZDHCSZHWIOM-PWSUYJOCSA-N 2 2 297.428 0.569 20 0 CCADLP CCO[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C[NH+](C)C ZINC000831712694 615408151 /nfs/dbraw/zinc/40/81/51/615408151.db2.gz FAUSKFOZHZXNSU-OLZOCXBDSA-N 2 2 294.399 0.528 20 0 CCADLP CCO[C@@H](CNc1[nH+]cnc2c1cnn2C)C[NH+](C)C ZINC000896114557 615410957 /nfs/dbraw/zinc/41/09/57/615410957.db2.gz AHRCSRCQEACCPT-JTQLQIEISA-N 2 2 278.360 0.742 20 0 CCADLP CCO[C@@H]1COC[C@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925690785 615429146 /nfs/dbraw/zinc/42/91/46/615429146.db2.gz JQUAXZCUCVPSRC-QUTCXQLSSA-N 2 2 252.358 0.376 20 0 CCADLP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000960375911 615439284 /nfs/dbraw/zinc/43/92/84/615439284.db2.gz PTQKPSKXNSZSSQ-YFVNTRNASA-N 2 2 260.341 0.580 20 0 CCADLP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000960375911 615439286 /nfs/dbraw/zinc/43/92/86/615439286.db2.gz PTQKPSKXNSZSSQ-YFVNTRNASA-N 2 2 260.341 0.580 20 0 CCADLP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000960375911 615439287 /nfs/dbraw/zinc/43/92/87/615439287.db2.gz PTQKPSKXNSZSSQ-YFVNTRNASA-N 2 2 260.341 0.580 20 0 CCADLP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000960375911 615439288 /nfs/dbraw/zinc/43/92/88/615439288.db2.gz PTQKPSKXNSZSSQ-YFVNTRNASA-N 2 2 260.341 0.580 20 0 CCADLP CCO[C@H](C[NH2+]Cc1ccc(C(N)=O)cc1)C[NH+](C)C ZINC000922756732 615484073 /nfs/dbraw/zinc/48/40/73/615484073.db2.gz MVRUQJISFXFWTA-CQSZACIVSA-N 2 2 279.384 0.842 20 0 CCADLP CCO[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)C[NH+](C)C ZINC000925836729 615484419 /nfs/dbraw/zinc/48/44/19/615484419.db2.gz CJSYINCVWQCGKH-QKPAOTATSA-N 3 2 299.459 0.700 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000908445022 615562426 /nfs/dbraw/zinc/56/24/26/615562426.db2.gz ZPJGTWIGBGUBDM-ATGUSINASA-N 2 2 295.427 0.818 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC000908445022 615562427 /nfs/dbraw/zinc/56/24/27/615562427.db2.gz ZPJGTWIGBGUBDM-ATGUSINASA-N 2 2 295.427 0.818 20 0 CCADLP CC[C@H](C(=O)N[C@H]1CCC[NH2+]C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911674765 615565149 /nfs/dbraw/zinc/56/51/49/615565149.db2.gz WACOCNQMLGIWMO-BFHYXJOUSA-N 2 2 283.416 0.744 20 0 CCADLP CC[C@H](C(=O)N[C@H]1CCC[NH2+]C1)[N@H+]1CCO[C@H](CC)C1 ZINC000911674765 615565150 /nfs/dbraw/zinc/56/51/50/615565150.db2.gz WACOCNQMLGIWMO-BFHYXJOUSA-N 2 2 283.416 0.744 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000875135444 615567865 /nfs/dbraw/zinc/56/78/65/615567865.db2.gz YEEJQJPWLGSFEJ-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000875135444 615567867 /nfs/dbraw/zinc/56/78/67/615567867.db2.gz YEEJQJPWLGSFEJ-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000875135444 615567868 /nfs/dbraw/zinc/56/78/68/615567868.db2.gz YEEJQJPWLGSFEJ-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000877435264 615568752 /nfs/dbraw/zinc/56/87/52/615568752.db2.gz ZOXOZMMWLFLREH-XQQFMLRXSA-N 2 2 269.389 0.211 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000877435264 615568753 /nfs/dbraw/zinc/56/87/53/615568753.db2.gz ZOXOZMMWLFLREH-XQQFMLRXSA-N 2 2 269.389 0.211 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000877435201 615568762 /nfs/dbraw/zinc/56/87/62/615568762.db2.gz ZEXPNXPBSSKETR-RBSFLKMASA-N 2 2 295.427 0.744 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000877435201 615568763 /nfs/dbraw/zinc/56/87/63/615568763.db2.gz ZEXPNXPBSSKETR-RBSFLKMASA-N 2 2 295.427 0.744 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc(C[NH3+])cc1 ZINC000877433419 615569012 /nfs/dbraw/zinc/56/90/12/615569012.db2.gz RORAYBZLHWSVJG-OAHLLOKOSA-N 2 2 291.395 0.986 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)c1ccc(C[NH3+])cc1 ZINC000877433419 615569013 /nfs/dbraw/zinc/56/90/13/615569013.db2.gz RORAYBZLHWSVJG-OAHLLOKOSA-N 2 2 291.395 0.986 20 0 CCADLP CC[C@@](C)(O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932576179 615590416 /nfs/dbraw/zinc/59/04/16/615590416.db2.gz LAEJICMLCGECMP-GDBMZVCRSA-N 2 2 297.443 0.774 20 0 CCADLP CC[C@@](C)(O)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932576179 615590417 /nfs/dbraw/zinc/59/04/17/615590417.db2.gz LAEJICMLCGECMP-GDBMZVCRSA-N 2 2 297.443 0.774 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)C[N@H+](C)C(C)C ZINC000928637550 615715120 /nfs/dbraw/zinc/71/51/20/615715120.db2.gz AJEPYSRNBHLZNQ-CYBMUJFWSA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)C[N@@H+](C)C(C)C ZINC000928637550 615715122 /nfs/dbraw/zinc/71/51/22/615715122.db2.gz AJEPYSRNBHLZNQ-CYBMUJFWSA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925678913 615727776 /nfs/dbraw/zinc/72/77/76/615727776.db2.gz ASRFWJBJOWXHPP-GHMZBOCLSA-N 2 2 275.418 0.188 20 0 CCADLP CC[C@H](CO)Nc1cc(N(C)CC[NH+](C)C)nc[nH+]1 ZINC000892777137 615737891 /nfs/dbraw/zinc/73/78/91/615737891.db2.gz MWWBGQORVDUUMR-LLVKDONJSA-N 2 2 267.377 0.657 20 0 CCADLP C[NH+](C)C1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000864082087 615845571 /nfs/dbraw/zinc/84/55/71/615845571.db2.gz OHUATVNHWJTSEA-UHFFFAOYSA-N 2 2 250.346 0.895 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H]2CC[C@H](C3CC3)O2)CC1 ZINC000885951139 615863615 /nfs/dbraw/zinc/86/36/15/615863615.db2.gz ABXPMOZVJJUHTF-LSDHHAIUSA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](CCCc2cccnc2)CC1 ZINC000929259199 615863629 /nfs/dbraw/zinc/86/36/29/615863629.db2.gz UKVAFURMSJMZAO-UHFFFAOYSA-N 2 2 290.411 0.720 20 0 CCADLP Cn1cc([C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)CC[NH2+]2)cn1 ZINC000913455473 615869327 /nfs/dbraw/zinc/86/93/27/615869327.db2.gz AJAVBSBVQJMDNA-CYBMUJFWSA-N 2 2 291.399 0.235 20 0 CCADLP CC[C@H]1C(=O)NCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903728722 615876846 /nfs/dbraw/zinc/87/68/46/615876846.db2.gz FJLQEZXAEFOUGQ-STQMWFEESA-N 2 2 281.400 0.356 20 0 CCADLP CC[C@H]1C(=O)NCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903728722 615876848 /nfs/dbraw/zinc/87/68/48/615876848.db2.gz FJLQEZXAEFOUGQ-STQMWFEESA-N 2 2 281.400 0.356 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000852846137 615878474 /nfs/dbraw/zinc/87/84/74/615878474.db2.gz CTAMNAPYSHQHGZ-CYBMUJFWSA-N 3 2 270.421 0.114 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000852846137 615878476 /nfs/dbraw/zinc/87/84/76/615878476.db2.gz CTAMNAPYSHQHGZ-CYBMUJFWSA-N 3 2 270.421 0.114 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CC1(O)CCCC1 ZINC000855415553 615878688 /nfs/dbraw/zinc/87/86/88/615878688.db2.gz ZBSSXENCPAVDAT-UHFFFAOYSA-N 2 2 285.432 0.681 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CC1(O)CCCC1 ZINC000855415553 615878691 /nfs/dbraw/zinc/87/86/91/615878691.db2.gz ZBSSXENCPAVDAT-UHFFFAOYSA-N 2 2 285.432 0.681 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NOC/C=C/Cl ZINC000854085943 615879282 /nfs/dbraw/zinc/87/92/82/615879282.db2.gz NBJDDZUGZAFARV-GQCTYLIASA-N 2 2 292.811 0.853 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NOC/C=C/Cl ZINC000854085943 615879283 /nfs/dbraw/zinc/87/92/83/615879283.db2.gz NBJDDZUGZAFARV-GQCTYLIASA-N 2 2 292.811 0.853 20 0 CCADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000874382197 615895413 /nfs/dbraw/zinc/89/54/13/615895413.db2.gz KXASBZSLLSPTQK-CHWSQXEVSA-N 3 2 293.415 0.465 20 0 CCADLP C[NH+](C)CCNC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000924779285 615901270 /nfs/dbraw/zinc/90/12/70/615901270.db2.gz YRTLCBCWDTXLJI-UHFFFAOYSA-N 2 2 285.417 0.566 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C[NH+]1CCC(C)CC1 ZINC000874703946 615923406 /nfs/dbraw/zinc/92/34/06/615923406.db2.gz DKIQAEVUDOXTDV-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C[NH+]1CCC(C)CC1 ZINC000874703946 615923407 /nfs/dbraw/zinc/92/34/07/615923407.db2.gz DKIQAEVUDOXTDV-HNNXBMFYSA-N 2 2 297.443 0.945 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000877433455 615926387 /nfs/dbraw/zinc/92/63/87/615926387.db2.gz SNBWVNMJYRQDJW-NWDGAFQWSA-N 2 2 271.405 0.587 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000877433455 615926388 /nfs/dbraw/zinc/92/63/88/615926388.db2.gz SNBWVNMJYRQDJW-NWDGAFQWSA-N 2 2 271.405 0.587 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000877434527 615926807 /nfs/dbraw/zinc/92/68/07/615926807.db2.gz RUDSIGSZOIQOFW-IHRRRGAJSA-N 2 2 283.416 0.731 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000877434527 615926809 /nfs/dbraw/zinc/92/68/09/615926809.db2.gz RUDSIGSZOIQOFW-IHRRRGAJSA-N 2 2 283.416 0.731 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000877432348 615927241 /nfs/dbraw/zinc/92/72/41/615927241.db2.gz BUPPKBHJAUGCIB-ZFWWWQNUSA-N 2 2 283.416 0.603 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000877432348 615927243 /nfs/dbraw/zinc/92/72/43/615927243.db2.gz BUPPKBHJAUGCIB-ZFWWWQNUSA-N 2 2 283.416 0.603 20 0 CCADLP C[NH+](C)C[C@H]1NC(=O)N(CCCCn2cc[nH+]c2)C1=O ZINC000924504551 615948627 /nfs/dbraw/zinc/94/86/27/615948627.db2.gz GRGMBLGSXRQPJU-LLVKDONJSA-N 2 2 279.344 0.145 20 0 CCADLP C[NH+](C)Cc1cc(NC(=O)NC[C@@H]2CC[N@@H+]2C)ccn1 ZINC000932174944 615953315 /nfs/dbraw/zinc/95/33/15/615953315.db2.gz QRNVPEAZKOSCSU-ZDUSSCGKSA-N 2 2 277.372 0.969 20 0 CCADLP C[NH+](C)Cc1cc(NC(=O)NC[C@@H]2CC[N@H+]2C)ccn1 ZINC000932174944 615953316 /nfs/dbraw/zinc/95/33/16/615953316.db2.gz QRNVPEAZKOSCSU-ZDUSSCGKSA-N 2 2 277.372 0.969 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000898832185 615983333 /nfs/dbraw/zinc/98/33/33/615983333.db2.gz LFNGIJAGURTGSC-CHWSQXEVSA-N 2 2 276.384 0.952 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H](O)CC3(O)CCCCC3)C[C@H]21 ZINC000931276368 615997924 /nfs/dbraw/zinc/99/79/24/615997924.db2.gz GFDZSXLKLBJZAL-BYNSBNAKSA-N 2 2 282.428 0.924 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)CC3(O)CCCCC3)C[C@H]21 ZINC000931276368 615997926 /nfs/dbraw/zinc/99/79/26/615997926.db2.gz GFDZSXLKLBJZAL-BYNSBNAKSA-N 2 2 282.428 0.924 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H](O)C[C@H](O)c3ccccc3)C[C@H]21 ZINC000931276366 615998051 /nfs/dbraw/zinc/99/80/51/615998051.db2.gz GENZKSZAFNBZMS-ZOFXXKQRSA-N 2 2 290.407 0.963 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)C[C@H](O)c3ccccc3)C[C@H]21 ZINC000931276366 615998053 /nfs/dbraw/zinc/99/80/53/615998053.db2.gz GENZKSZAFNBZMS-ZOFXXKQRSA-N 2 2 290.407 0.963 20 0 CCADLP CN(C)c1[nH+]cc(CNC2=[NH+]CCCCN2)n1C ZINC000849216018 616036071 /nfs/dbraw/zinc/03/60/71/616036071.db2.gz QAXPEUOGUDHTSI-UHFFFAOYSA-N 2 2 250.350 0.315 20 0 CCADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000898889085 616048637 /nfs/dbraw/zinc/04/86/37/616048637.db2.gz NUPUHYKIJZRBGH-MNOVXSKESA-N 2 2 298.412 0.007 20 0 CCADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000898889085 616048638 /nfs/dbraw/zinc/04/86/38/616048638.db2.gz NUPUHYKIJZRBGH-MNOVXSKESA-N 2 2 298.412 0.007 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000901119876 616076617 /nfs/dbraw/zinc/07/66/17/616076617.db2.gz VNXJJUJNMPWNLZ-GXTWGEPZSA-N 2 2 280.372 0.187 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000901119876 616076618 /nfs/dbraw/zinc/07/66/18/616076618.db2.gz VNXJJUJNMPWNLZ-GXTWGEPZSA-N 2 2 280.372 0.187 20 0 CCADLP C[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1nnc2c(=O)[nH]ccn12 ZINC000883460537 616122783 /nfs/dbraw/zinc/12/27/83/616122783.db2.gz ZRZDTSWIVSXVLC-LLVKDONJSA-N 2 2 290.371 0.239 20 0 CCADLP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1nnc2c(=O)[nH]ccn12 ZINC000883460537 616122784 /nfs/dbraw/zinc/12/27/84/616122784.db2.gz ZRZDTSWIVSXVLC-LLVKDONJSA-N 2 2 290.371 0.239 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H](O)c1ccccn1)C1CC1 ZINC000843096763 616131355 /nfs/dbraw/zinc/13/13/55/616131355.db2.gz UVTDPYMKBUMNMY-GXTWGEPZSA-N 2 2 265.357 0.160 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H](O)c1ccccn1)C1CC1 ZINC000843096763 616131356 /nfs/dbraw/zinc/13/13/56/616131356.db2.gz UVTDPYMKBUMNMY-GXTWGEPZSA-N 2 2 265.357 0.160 20 0 CCADLP C[N@H+](C[C@H](O)C[NH3+])C[C@@H](O)c1ccc(F)cc1F ZINC000923365009 616132905 /nfs/dbraw/zinc/13/29/05/616132905.db2.gz BXUXNRVSMCRALL-BXKDBHETSA-N 2 2 260.284 0.250 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH3+])C[C@@H](O)c1ccc(F)cc1F ZINC000923365009 616132906 /nfs/dbraw/zinc/13/29/06/616132906.db2.gz BXUXNRVSMCRALL-BXKDBHETSA-N 2 2 260.284 0.250 20 0 CCADLP C[N@H+](C[C@@H]1CCOC1)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972618564 616145044 /nfs/dbraw/zinc/14/50/44/616145044.db2.gz KBVGXXHKIOCBQK-STQMWFEESA-N 2 2 292.383 0.521 20 0 CCADLP C[N@@H+](C[C@@H]1CCOC1)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000972618564 616145046 /nfs/dbraw/zinc/14/50/46/616145046.db2.gz KBVGXXHKIOCBQK-STQMWFEESA-N 2 2 292.383 0.521 20 0 CCADLP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1ccco1 ZINC000877905870 616172899 /nfs/dbraw/zinc/17/28/99/616172899.db2.gz CZKLGRKFTRFZKL-UHFFFAOYSA-N 2 2 265.357 0.922 20 0 CCADLP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1ccco1 ZINC000877905870 616172900 /nfs/dbraw/zinc/17/29/00/616172900.db2.gz CZKLGRKFTRFZKL-UHFFFAOYSA-N 2 2 265.357 0.922 20 0 CCADLP C[NH+]1CCC(OCC(=O)NCCn2cc[nH+]c2)CC1 ZINC000930220261 616175410 /nfs/dbraw/zinc/17/54/10/616175410.db2.gz AMJGUODKLBPLDE-UHFFFAOYSA-N 2 2 266.345 0.110 20 0 CCADLP C[N@@H+]1CCCC[C@@H](CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000897563796 616178799 /nfs/dbraw/zinc/17/87/99/616178799.db2.gz LLMAJXHCFHVYOK-STQMWFEESA-N 2 2 291.399 0.839 20 0 CCADLP C[N@H+]1CCCC[C@@H](CNC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000897563796 616178800 /nfs/dbraw/zinc/17/88/00/616178800.db2.gz LLMAJXHCFHVYOK-STQMWFEESA-N 2 2 291.399 0.839 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000911721759 616181336 /nfs/dbraw/zinc/18/13/36/616181336.db2.gz XZQZAEWHSNUXAU-GFCCVEGCSA-N 2 2 265.361 0.667 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000911721759 616181337 /nfs/dbraw/zinc/18/13/37/616181337.db2.gz XZQZAEWHSNUXAU-GFCCVEGCSA-N 2 2 265.361 0.667 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000911721760 616185293 /nfs/dbraw/zinc/18/52/93/616185293.db2.gz XZQZAEWHSNUXAU-LBPRGKRZSA-N 2 2 265.361 0.667 20 0 CCADLP C[N@H+]1CCCC[C@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000911721760 616185294 /nfs/dbraw/zinc/18/52/94/616185294.db2.gz XZQZAEWHSNUXAU-LBPRGKRZSA-N 2 2 265.361 0.667 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccon3)C[C@H]21 ZINC000958414673 616194843 /nfs/dbraw/zinc/19/48/43/616194843.db2.gz IPNLOBJMODGSCA-RQJABVFESA-N 2 2 290.367 0.315 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccon3)C[C@H]21 ZINC000958414673 616194844 /nfs/dbraw/zinc/19/48/44/616194844.db2.gz IPNLOBJMODGSCA-RQJABVFESA-N 2 2 290.367 0.315 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccon3)C[C@H]21 ZINC000958414673 616194845 /nfs/dbraw/zinc/19/48/45/616194845.db2.gz IPNLOBJMODGSCA-RQJABVFESA-N 2 2 290.367 0.315 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccon3)C[C@H]21 ZINC000958414673 616194846 /nfs/dbraw/zinc/19/48/46/616194846.db2.gz IPNLOBJMODGSCA-RQJABVFESA-N 2 2 290.367 0.315 20 0 CCADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923421803 616200657 /nfs/dbraw/zinc/20/06/57/616200657.db2.gz OSBBGJSHNKURLB-BFHYXJOUSA-N 3 2 265.401 0.533 20 0 CCADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923421803 616200658 /nfs/dbraw/zinc/20/06/58/616200658.db2.gz OSBBGJSHNKURLB-BFHYXJOUSA-N 3 2 265.401 0.533 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923421803 616200659 /nfs/dbraw/zinc/20/06/59/616200659.db2.gz OSBBGJSHNKURLB-BFHYXJOUSA-N 3 2 265.401 0.533 20 0 CCADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923421803 616200660 /nfs/dbraw/zinc/20/06/60/616200660.db2.gz OSBBGJSHNKURLB-BFHYXJOUSA-N 3 2 265.401 0.533 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCF)C1 ZINC000898502764 616211718 /nfs/dbraw/zinc/21/17/18/616211718.db2.gz DKSYKJWEPHTWDD-NEPJUHHUSA-N 2 2 257.353 0.631 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCF)C1 ZINC000898502764 616211719 /nfs/dbraw/zinc/21/17/19/616211719.db2.gz DKSYKJWEPHTWDD-NEPJUHHUSA-N 2 2 257.353 0.631 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898502764 616211720 /nfs/dbraw/zinc/21/17/20/616211720.db2.gz DKSYKJWEPHTWDD-NEPJUHHUSA-N 2 2 257.353 0.631 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898502764 616211721 /nfs/dbraw/zinc/21/17/21/616211721.db2.gz DKSYKJWEPHTWDD-NEPJUHHUSA-N 2 2 257.353 0.631 20 0 CCADLP C[N@H+]1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)C(C)(C)C1 ZINC000901275799 616221136 /nfs/dbraw/zinc/22/11/36/616221136.db2.gz MGSDQXQMPQECSH-CYBMUJFWSA-N 2 2 281.400 0.260 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)CC1(O)CCCCC1 ZINC000879355118 616223108 /nfs/dbraw/zinc/22/31/08/616223108.db2.gz YQMWRDNCOAJYRU-UHFFFAOYSA-N 2 2 283.416 0.387 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)CC1(O)CCCCC1 ZINC000879355118 616223109 /nfs/dbraw/zinc/22/31/09/616223109.db2.gz YQMWRDNCOAJYRU-UHFFFAOYSA-N 2 2 283.416 0.387 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925615836 616223609 /nfs/dbraw/zinc/22/36/09/616223609.db2.gz ISEGXGQSSUFHBQ-CHWSQXEVSA-N 3 2 282.432 0.256 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000866248574 616223683 /nfs/dbraw/zinc/22/36/83/616223683.db2.gz FEMJJDFXQTWANG-ZBFHGGJFSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)C[C@@H]1CO ZINC000913540154 616227363 /nfs/dbraw/zinc/22/73/63/616227363.db2.gz PHBTUOXFRJHDSJ-MCIONIFRSA-N 2 2 281.400 0.138 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)C[C@@H]1CO ZINC000913540154 616227364 /nfs/dbraw/zinc/22/73/64/616227364.db2.gz PHBTUOXFRJHDSJ-MCIONIFRSA-N 2 2 281.400 0.138 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C[C@@H]1CO ZINC000913540154 616227365 /nfs/dbraw/zinc/22/73/65/616227365.db2.gz PHBTUOXFRJHDSJ-MCIONIFRSA-N 2 2 281.400 0.138 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C[C@@H]1CO ZINC000913540154 616227366 /nfs/dbraw/zinc/22/73/66/616227366.db2.gz PHBTUOXFRJHDSJ-MCIONIFRSA-N 2 2 281.400 0.138 20 0 CCADLP C[NH+]1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000899904606 616228719 /nfs/dbraw/zinc/22/87/19/616228719.db2.gz MHUHSFPQLGMXCP-QWHCGFSZSA-N 2 2 251.374 0.777 20 0 CCADLP C[NH+]1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000899904606 616228720 /nfs/dbraw/zinc/22/87/20/616228720.db2.gz MHUHSFPQLGMXCP-QWHCGFSZSA-N 2 2 251.374 0.777 20 0 CCADLP Cn1nccc1C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000877747429 616239216 /nfs/dbraw/zinc/23/92/16/616239216.db2.gz KYOUYWWBZLYVDB-UHFFFAOYSA-N 2 2 277.416 0.632 20 0 CCADLP C[NH+]1CCN(c2ccc(NC(=O)C[NH3+])cc2Cl)CC1 ZINC000844190741 616247196 /nfs/dbraw/zinc/24/71/96/616247196.db2.gz QHSLRWRKAIFHLH-UHFFFAOYSA-N 2 2 282.775 0.989 20 0 CCADLP C[N@@H+]1CCN(c2nc(N)[nH+]c(N)n2)C[C@H]1C(C)(C)C ZINC000895101367 616247515 /nfs/dbraw/zinc/24/75/15/616247515.db2.gz JYIAGMNOOWWKNJ-QMMMGPOBSA-N 2 2 265.365 0.203 20 0 CCADLP C[N@H+]1CCN(c2nc(N)[nH+]c(N)n2)C[C@H]1C(C)(C)C ZINC000895101367 616247516 /nfs/dbraw/zinc/24/75/16/616247516.db2.gz JYIAGMNOOWWKNJ-QMMMGPOBSA-N 2 2 265.365 0.203 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3cnsn3)C2)C1 ZINC000970712552 616265302 /nfs/dbraw/zinc/26/53/02/616265302.db2.gz PPFKZSNIYPWCSI-GHMZBOCLSA-N 2 2 295.412 0.180 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3cnsn3)C2)C1 ZINC000970712552 616265303 /nfs/dbraw/zinc/26/53/03/616265303.db2.gz PPFKZSNIYPWCSI-GHMZBOCLSA-N 2 2 295.412 0.180 20 0 CCADLP COCC[NH+]1CCC([NH2+][C@@H]2C(=O)NCC2(C)C)CC1 ZINC000895315430 616326738 /nfs/dbraw/zinc/32/67/38/616326738.db2.gz GXIHSGHHFPPNGE-GFCCVEGCSA-N 2 2 269.389 0.211 20 0 CCADLP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000901136655 616342230 /nfs/dbraw/zinc/34/22/30/616342230.db2.gz ZDOUQNLDLUYTPJ-WCQYABFASA-N 2 2 262.357 0.895 20 0 CCADLP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000901136655 616342234 /nfs/dbraw/zinc/34/22/34/616342234.db2.gz ZDOUQNLDLUYTPJ-WCQYABFASA-N 2 2 262.357 0.895 20 0 CCADLP C[N@H+](CC(=O)N1[C@@H]2CC[C@H]1C[NH+](C)C2)[C@@H]1CCSC1 ZINC000913536287 616366420 /nfs/dbraw/zinc/36/64/20/616366420.db2.gz PTXINGJHOVOBDJ-FRRDWIJNSA-N 2 2 283.441 0.729 20 0 CCADLP C[N@@H+](CC(=O)N1[C@@H]2CC[C@H]1C[NH+](C)C2)[C@@H]1CCSC1 ZINC000913536287 616366424 /nfs/dbraw/zinc/36/64/24/616366424.db2.gz PTXINGJHOVOBDJ-FRRDWIJNSA-N 2 2 283.441 0.729 20 0 CCADLP C[NH+](CC(=O)N1[C@@H]2CC[C@H]1C[N@@H+](C)C2)[C@@H]1CCSC1 ZINC000913536287 616366425 /nfs/dbraw/zinc/36/64/25/616366425.db2.gz PTXINGJHOVOBDJ-FRRDWIJNSA-N 2 2 283.441 0.729 20 0 CCADLP C[NH+](CC(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)C2)[C@@H]1CCSC1 ZINC000913536287 616366428 /nfs/dbraw/zinc/36/64/28/616366428.db2.gz PTXINGJHOVOBDJ-FRRDWIJNSA-N 2 2 283.441 0.729 20 0 CCADLP COC/C=C\C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855414359 616407031 /nfs/dbraw/zinc/40/70/31/616407031.db2.gz CHEYJVDOTNAKHB-ALCCZGGFSA-N 2 2 257.378 0.189 20 0 CCADLP COC/C=C\C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855414359 616407034 /nfs/dbraw/zinc/40/70/34/616407034.db2.gz CHEYJVDOTNAKHB-ALCCZGGFSA-N 2 2 257.378 0.189 20 0 CCADLP COC(=O)C1=CC[C@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000863541954 616432632 /nfs/dbraw/zinc/43/26/32/616432632.db2.gz NSHLTXQUQUYLOB-MELADBBJSA-N 2 2 280.368 0.605 20 0 CCADLP C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](O)c1c[nH+]c[nH]1)C2 ZINC000868633468 616456057 /nfs/dbraw/zinc/45/60/57/616456057.db2.gz FQCUKUOIZMBQPB-TZMCWYRMSA-N 2 2 278.356 0.387 20 0 CCADLP C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](O)c1c[nH+]c[nH]1)C2 ZINC000868633468 616456061 /nfs/dbraw/zinc/45/60/61/616456061.db2.gz FQCUKUOIZMBQPB-TZMCWYRMSA-N 2 2 278.356 0.387 20 0 CCADLP C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)C2 ZINC000868633465 616456205 /nfs/dbraw/zinc/45/62/05/616456205.db2.gz FQCUKUOIZMBQPB-GXTWGEPZSA-N 2 2 278.356 0.387 20 0 CCADLP C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](O)c1c[nH+]c[nH]1)C2 ZINC000868633465 616456207 /nfs/dbraw/zinc/45/62/07/616456207.db2.gz FQCUKUOIZMBQPB-GXTWGEPZSA-N 2 2 278.356 0.387 20 0 CCADLP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000900563044 616495380 /nfs/dbraw/zinc/49/53/80/616495380.db2.gz OJDPUOBJBWWPLF-UMVBOHGHSA-N 2 2 292.383 0.502 20 0 CCADLP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000900563044 616495384 /nfs/dbraw/zinc/49/53/84/616495384.db2.gz OJDPUOBJBWWPLF-UMVBOHGHSA-N 2 2 292.383 0.502 20 0 CCADLP COC(=O)[C@@H]1[C@@H](C[NH2+]CCCn2cc[nH+]c2)C1(F)F ZINC000894146123 616504879 /nfs/dbraw/zinc/50/48/79/616504879.db2.gz SCXOCNAHBAJKSE-ZJUUUORDSA-N 2 2 273.283 0.917 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000821715360 616554724 /nfs/dbraw/zinc/55/47/24/616554724.db2.gz ABAMCUWWHYWKIM-CYBMUJFWSA-N 2 2 297.399 0.178 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000821715360 616554726 /nfs/dbraw/zinc/55/47/26/616554726.db2.gz ABAMCUWWHYWKIM-CYBMUJFWSA-N 2 2 297.399 0.178 20 0 CCADLP COCCS(=O)(=O)CCC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000842475990 616607082 /nfs/dbraw/zinc/60/70/82/616607082.db2.gz CSSXDRFCBSRJSO-JHJVBQTASA-N 2 2 292.445 0.414 20 0 CCADLP CNC(=O)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880569167 616655179 /nfs/dbraw/zinc/65/51/79/616655179.db2.gz JEASJGMNYLSVMV-ZDUSSCGKSA-N 2 2 258.325 0.960 20 0 CCADLP COC(=O)[C@@H]1CN(Cc2[nH]c(C)[nH+]c2C)CC[N@H+](C)C1 ZINC000930713154 616687433 /nfs/dbraw/zinc/68/74/33/616687433.db2.gz CLXKHBCPSDMRRI-LBPRGKRZSA-N 2 2 280.372 0.563 20 0 CCADLP COC(=O)[C@@H]1CN(Cc2[nH]c(C)[nH+]c2C)CC[N@@H+](C)C1 ZINC000930713154 616687436 /nfs/dbraw/zinc/68/74/36/616687436.db2.gz CLXKHBCPSDMRRI-LBPRGKRZSA-N 2 2 280.372 0.563 20 0 CCADLP CNC(=O)NC(=O)CC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931309469 616695416 /nfs/dbraw/zinc/69/54/16/616695416.db2.gz XPMZNOPGYFNKRV-OKILXGFUSA-N 2 2 282.388 0.106 20 0 CCADLP CNC(=O)NC(=O)CC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931309469 616695418 /nfs/dbraw/zinc/69/54/18/616695418.db2.gz XPMZNOPGYFNKRV-OKILXGFUSA-N 2 2 282.388 0.106 20 0 CCADLP CNC(=O)NC(=O)CC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931309469 616695420 /nfs/dbraw/zinc/69/54/20/616695420.db2.gz XPMZNOPGYFNKRV-OKILXGFUSA-N 2 2 282.388 0.106 20 0 CCADLP CNC(=O)NC(=O)CC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931309469 616695422 /nfs/dbraw/zinc/69/54/22/616695422.db2.gz XPMZNOPGYFNKRV-OKILXGFUSA-N 2 2 282.388 0.106 20 0 CCADLP COCC(COC)[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000929657471 616724755 /nfs/dbraw/zinc/72/47/55/616724755.db2.gz NGXOMVHYYKYCGT-UHFFFAOYSA-N 2 2 274.405 0.426 20 0 CCADLP COCC(COC)[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000929657471 616724757 /nfs/dbraw/zinc/72/47/57/616724757.db2.gz NGXOMVHYYKYCGT-UHFFFAOYSA-N 2 2 274.405 0.426 20 0 CCADLP COC(=O)N1CCC([C@H](C)[NH2+][C@@H]2C[NH2+]CCOC2)CC1 ZINC000925642307 616826453 /nfs/dbraw/zinc/82/64/53/616826453.db2.gz HMOJCXQHNNVYQP-WCQYABFASA-N 2 2 285.388 0.431 20 0 CCADLP COC[C@@H](CCC[NH3+])[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000925810843 616844163 /nfs/dbraw/zinc/84/41/63/616844163.db2.gz GOJVYGLFUADWBN-GFCCVEGCSA-N 3 2 266.389 0.991 20 0 CCADLP COC[C@]1(C(=O)NCc2cc(C)[nH+]c(C)c2)C[NH2+]CCO1 ZINC000876926721 616850637 /nfs/dbraw/zinc/85/06/37/616850637.db2.gz DRGOJJQNLBYVIF-HNNXBMFYSA-N 2 2 293.367 0.320 20 0 CCADLP COC(=O)N[C@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000886855978 616928502 /nfs/dbraw/zinc/92/85/02/616928502.db2.gz AYUVKXGPVVXBDH-NSHDSACASA-N 2 2 252.318 0.704 20 0 CCADLP COC(=O)N[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000886855978 616928506 /nfs/dbraw/zinc/92/85/06/616928506.db2.gz AYUVKXGPVVXBDH-NSHDSACASA-N 2 2 252.318 0.704 20 0 CCADLP COCc1ncc2c(n1)CC[N@@H+](C[C@@H]1C[NH2+]C[C@H]1C)C2 ZINC000903476540 616953808 /nfs/dbraw/zinc/95/38/08/616953808.db2.gz AELOBWAJPMKBHV-NEPJUHHUSA-N 2 2 276.384 0.837 20 0 CCADLP COCc1ncc2c(n1)CC[N@H+](C[C@@H]1C[NH2+]C[C@H]1C)C2 ZINC000903476540 616953813 /nfs/dbraw/zinc/95/38/13/616953813.db2.gz AELOBWAJPMKBHV-NEPJUHHUSA-N 2 2 276.384 0.837 20 0 CCADLP C[NH2+]CC[N@H+](C[C@@H](O)COC[C@@H]1CCCO1)C(C)C ZINC000923432636 616957298 /nfs/dbraw/zinc/95/72/98/616957298.db2.gz GZZMKMHUDLTODK-KGLIPLIRSA-N 2 2 274.405 0.473 20 0 CCADLP C[NH2+]CC[N@@H+](C[C@@H](O)COC[C@@H]1CCCO1)C(C)C ZINC000923432636 616957301 /nfs/dbraw/zinc/95/73/01/616957301.db2.gz GZZMKMHUDLTODK-KGLIPLIRSA-N 2 2 274.405 0.473 20 0 CCADLP C[NH2+]CC[N@H+](C[C@@H](O)COC[C@H]1CCCO1)C(C)C ZINC000923432639 616957941 /nfs/dbraw/zinc/95/79/41/616957941.db2.gz GZZMKMHUDLTODK-ZIAGYGMSSA-N 2 2 274.405 0.473 20 0 CCADLP C[NH2+]CC[N@@H+](C[C@@H](O)COC[C@H]1CCCO1)C(C)C ZINC000923432639 616957945 /nfs/dbraw/zinc/95/79/45/616957945.db2.gz GZZMKMHUDLTODK-ZIAGYGMSSA-N 2 2 274.405 0.473 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](O)CC(C)(C)C1 ZINC000879624050 616966257 /nfs/dbraw/zinc/96/62/57/616966257.db2.gz LDSLWMAXWCTEFI-QWHCGFSZSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](O)CC(C)(C)C1 ZINC000879624050 616966260 /nfs/dbraw/zinc/96/62/60/616966260.db2.gz LDSLWMAXWCTEFI-QWHCGFSZSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879624050 616966263 /nfs/dbraw/zinc/96/62/63/616966263.db2.gz LDSLWMAXWCTEFI-QWHCGFSZSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879624050 616966267 /nfs/dbraw/zinc/96/62/67/616966267.db2.gz LDSLWMAXWCTEFI-QWHCGFSZSA-N 2 2 274.405 0.018 20 0 CCADLP C[NH2+]C[C@H]1CCCCN1C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC000891818855 616995907 /nfs/dbraw/zinc/99/59/07/616995907.db2.gz LRBLVXPNXSEOAA-QWHCGFSZSA-N 2 2 291.399 0.981 20 0 CCADLP CNS(=O)(=O)CCC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931312046 617009146 /nfs/dbraw/zinc/00/91/46/617009146.db2.gz UBUFWVNYVZMWLV-BETUJISGSA-N 2 2 289.445 0.199 20 0 CCADLP CNS(=O)(=O)CCC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931312046 617009149 /nfs/dbraw/zinc/00/91/49/617009149.db2.gz UBUFWVNYVZMWLV-BETUJISGSA-N 2 2 289.445 0.199 20 0 CCADLP CNS(=O)(=O)CCC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931312046 617009155 /nfs/dbraw/zinc/00/91/55/617009155.db2.gz UBUFWVNYVZMWLV-BETUJISGSA-N 2 2 289.445 0.199 20 0 CCADLP CNS(=O)(=O)CCC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931312046 617009161 /nfs/dbraw/zinc/00/91/61/617009161.db2.gz UBUFWVNYVZMWLV-BETUJISGSA-N 2 2 289.445 0.199 20 0 CCADLP C[NH2+][C@@H](CC(C)C)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000884213325 617046170 /nfs/dbraw/zinc/04/61/70/617046170.db2.gz YNQGUHXOQRULLB-IHRRRGAJSA-N 2 2 285.432 0.846 20 0 CCADLP C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000911737234 617052736 /nfs/dbraw/zinc/05/27/36/617052736.db2.gz SKZITXZRCQRJKE-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP COC[C@H](C)[NH+]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000948761164 617066351 /nfs/dbraw/zinc/06/63/51/617066351.db2.gz DKXRSCFOYSXRBR-JSGCOSHPSA-N 2 2 283.416 0.506 20 0 CCADLP CO[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC000962148775 617072187 /nfs/dbraw/zinc/07/21/87/617072187.db2.gz PEWHRMKTLDRYBI-PUHVVEEASA-N 2 2 278.356 0.034 20 0 CCADLP CO[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC000962148775 617072191 /nfs/dbraw/zinc/07/21/91/617072191.db2.gz PEWHRMKTLDRYBI-PUHVVEEASA-N 2 2 278.356 0.034 20 0 CCADLP CON1CC[C@H]([N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1=O ZINC000929532293 617098150 /nfs/dbraw/zinc/09/81/50/617098150.db2.gz LATWUDRKFMOJGU-RYUDHWBXSA-N 2 2 264.329 0.682 20 0 CCADLP CON1CC[C@H]([N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1=O ZINC000929532293 617098152 /nfs/dbraw/zinc/09/81/52/617098152.db2.gz LATWUDRKFMOJGU-RYUDHWBXSA-N 2 2 264.329 0.682 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CC[C@H]([NH2+]CCF)[C@@H]2C1 ZINC001026388852 625424514 /nfs/dbraw/zinc/42/45/14/625424514.db2.gz SORPQYLARFGFBF-TUAOUCFPSA-N 2 2 280.347 0.748 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CC[C@H]([NH2+]CCF)[C@H]2C1 ZINC001026432465 625447787 /nfs/dbraw/zinc/44/77/87/625447787.db2.gz SUTHBVKDVQLBLO-AVGNSLFASA-N 2 2 280.347 0.679 20 0 CCADLP C[C@H](O)C[NH2+]C1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001026568670 625474451 /nfs/dbraw/zinc/47/44/51/625474451.db2.gz RIAXSXXPPJPFFO-UNXYVOJBSA-N 2 2 280.372 0.350 20 0 CCADLP C[C@@H](O)C[NH2+]C1CCC(NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001026583665 625476070 /nfs/dbraw/zinc/47/60/70/625476070.db2.gz CKSRWMJRQYIEOO-VOMCLLRMSA-N 2 2 280.372 0.350 20 0 CCADLP Cc1[nH+]ccn1CCN1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934260672 622625622 /nfs/dbraw/zinc/62/56/22/622625622.db2.gz ANQWGYQTMIUMAM-CABCVRRESA-N 2 2 278.400 0.723 20 0 CCADLP Cc1[nH+]ccn1CCN1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000934260672 622625627 /nfs/dbraw/zinc/62/56/27/622625627.db2.gz ANQWGYQTMIUMAM-CABCVRRESA-N 2 2 278.400 0.723 20 0 CCADLP Cc1cc(N)nc(NC[C@@H](C)N2CC[NH+](C)CC2)[nH+]1 ZINC000892281998 622773138 /nfs/dbraw/zinc/77/31/38/622773138.db2.gz SEEWNVGPSZBQIB-LLVKDONJSA-N 2 2 264.377 0.415 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@@H]([NH2+]Cc2ccns2)C1 ZINC001022889578 622836133 /nfs/dbraw/zinc/83/61/33/622836133.db2.gz PQGIGHHSEWIGST-AOOOYVTPSA-N 2 2 291.380 0.846 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]([N@H+](C)CCO)C1 ZINC000972515724 622917169 /nfs/dbraw/zinc/91/71/69/622917169.db2.gz ANVHNTXKVVEBEA-YPMHNXCESA-N 2 2 280.372 0.113 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]([N@@H+](C)CCO)C1 ZINC000972515724 622917182 /nfs/dbraw/zinc/91/71/82/622917182.db2.gz ANVHNTXKVVEBEA-YPMHNXCESA-N 2 2 280.372 0.113 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]([N@H+](C)CCO)C1 ZINC000972515724 622917192 /nfs/dbraw/zinc/91/71/92/622917192.db2.gz ANVHNTXKVVEBEA-YPMHNXCESA-N 2 2 280.372 0.113 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]([N@@H+](C)CCO)C1 ZINC000972515724 622917209 /nfs/dbraw/zinc/91/72/09/622917209.db2.gz ANVHNTXKVVEBEA-YPMHNXCESA-N 2 2 280.372 0.113 20 0 CCADLP COCC[C@@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000052790734 623058615 /nfs/dbraw/zinc/05/86/15/623058615.db2.gz HIMKSCBFDLSZID-HUUCEWRRSA-N 2 2 291.395 0.866 20 0 CCADLP COCC[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000052790734 623058628 /nfs/dbraw/zinc/05/86/28/623058628.db2.gz HIMKSCBFDLSZID-HUUCEWRRSA-N 2 2 291.395 0.866 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnsn1 ZINC000053111943 623399746 /nfs/dbraw/zinc/39/97/46/623399746.db2.gz NHVUGBQEKNILRH-UHFFFAOYSA-N 2 2 297.428 0.636 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnsn1 ZINC000053111943 623399750 /nfs/dbraw/zinc/39/97/50/623399750.db2.gz NHVUGBQEKNILRH-UHFFFAOYSA-N 2 2 297.428 0.636 20 0 CCADLP C[C@@]1(NC(=O)CCn2cc[nH+]c2)C[NH+]2CCC1CC2 ZINC000892792152 623838461 /nfs/dbraw/zinc/83/84/61/623838461.db2.gz HPNYMFOATPNWTN-CQSZACIVSA-N 2 2 262.357 0.874 20 0 CCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@@H]([NH2+]CCF)C1 ZINC000969137789 624466030 /nfs/dbraw/zinc/46/60/30/624466030.db2.gz DXQDDOQPKLQCNY-VXGBXAGGSA-N 2 2 280.347 0.606 20 0 CCADLP Cn1cncc1C[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001020819504 624606536 /nfs/dbraw/zinc/60/65/36/624606536.db2.gz YUEDMUVQIVJRJD-XYPYZODXSA-N 2 2 288.355 0.123 20 0 CCADLP Cc1cc(N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)nc(N)[nH+]1 ZINC000804809094 624637733 /nfs/dbraw/zinc/63/77/33/624637733.db2.gz OEAFVFWTMULZPI-NWDGAFQWSA-N 2 2 277.372 0.667 20 0 CCADLP Cc1ncc(C[NH2+][C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)o1 ZINC001021125992 624662333 /nfs/dbraw/zinc/66/23/33/624662333.db2.gz CYYXYQZMUWYQQL-HAQNSBGRSA-N 2 2 289.339 0.617 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCCCO2)C1 ZINC001021128743 624664464 /nfs/dbraw/zinc/66/44/64/624664464.db2.gz UBGXKJMGYRMCBS-IHRRRGAJSA-N 2 2 292.383 0.689 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]([NH2+]CC2CCC2)C1 ZINC000970482524 624690827 /nfs/dbraw/zinc/69/08/27/624690827.db2.gz USMUICRQPOMXQZ-CYBMUJFWSA-N 2 2 276.384 0.953 20 0 CCADLP Cc1cnc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)o1 ZINC000970713028 624736075 /nfs/dbraw/zinc/73/60/75/624736075.db2.gz VRBZMAOWVUCDAZ-QWHCGFSZSA-N 2 2 292.383 0.625 20 0 CCADLP Cc1cnc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)o1 ZINC000970713028 624736077 /nfs/dbraw/zinc/73/60/77/624736077.db2.gz VRBZMAOWVUCDAZ-QWHCGFSZSA-N 2 2 292.383 0.625 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+]Cc2cnns2)C1 ZINC000970856551 624770280 /nfs/dbraw/zinc/77/02/80/624770280.db2.gz MXTNIXYPKREPKF-SNVBAGLBSA-N 2 2 292.368 0.125 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000891507024 624880901 /nfs/dbraw/zinc/88/09/01/624880901.db2.gz OPXLFXIFZCIFIR-NEPJUHHUSA-N 2 2 284.404 0.228 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000891507024 624880902 /nfs/dbraw/zinc/88/09/02/624880902.db2.gz OPXLFXIFZCIFIR-NEPJUHHUSA-N 2 2 284.404 0.228 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001022311698 624921288 /nfs/dbraw/zinc/92/12/88/624921288.db2.gz WEMRNZSDPHKCIV-XQHKEYJVSA-N 2 2 292.383 0.063 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](C[NH2+]C[C@H]2CCOC2)C1 ZINC001027139961 625742928 /nfs/dbraw/zinc/74/29/28/625742928.db2.gz VDXYIXFZKZWYIQ-QWHCGFSZSA-N 2 2 292.383 0.427 20 0 CCADLP C[N@H+](CCF)[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001027346203 625842753 /nfs/dbraw/zinc/84/27/53/625842753.db2.gz CWKCFQLJHDDUSN-STQMWFEESA-N 2 2 287.379 0.209 20 0 CCADLP C[N@@H+](CCF)[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001027346203 625842754 /nfs/dbraw/zinc/84/27/54/625842754.db2.gz CWKCFQLJHDDUSN-STQMWFEESA-N 2 2 287.379 0.209 20 0 CCADLP C[NH+](CCF)[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001027346203 625842755 /nfs/dbraw/zinc/84/27/55/625842755.db2.gz CWKCFQLJHDDUSN-STQMWFEESA-N 2 2 287.379 0.209 20 0 CCADLP C[NH+](CCF)[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001027346203 625842757 /nfs/dbraw/zinc/84/27/57/625842757.db2.gz CWKCFQLJHDDUSN-STQMWFEESA-N 2 2 287.379 0.209 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@H+](CCCO)CC1(C)C ZINC000977453487 625939601 /nfs/dbraw/zinc/93/96/01/625939601.db2.gz MZXKHZKTXYPJEW-CYBMUJFWSA-N 2 2 294.399 0.172 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[N@@H+](CCCO)CC1(C)C ZINC000977453487 625939612 /nfs/dbraw/zinc/93/96/12/625939612.db2.gz MZXKHZKTXYPJEW-CYBMUJFWSA-N 2 2 294.399 0.172 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000977646678 625955194 /nfs/dbraw/zinc/95/51/94/625955194.db2.gz MZMBPKZIZZDRDI-NWDGAFQWSA-N 2 2 280.372 0.091 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C1 ZINC000977646678 625955204 /nfs/dbraw/zinc/95/52/04/625955204.db2.gz MZMBPKZIZZDRDI-NWDGAFQWSA-N 2 2 280.372 0.091 20 0 CCADLP Cn1cc(N2CC[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)CC2=O)cn1 ZINC000903439726 634562934 /nfs/dbraw/zinc/56/29/34/634562934.db2.gz NCMCAKZJYLMMOK-NEPJUHHUSA-N 2 2 277.372 0.196 20 0 CCADLP Cn1cc(N2CC[N@@H+](C[C@@H]3CC[C@H]([NH3+])C3)CC2=O)cn1 ZINC000903439726 634562940 /nfs/dbraw/zinc/56/29/40/634562940.db2.gz NCMCAKZJYLMMOK-NEPJUHHUSA-N 2 2 277.372 0.196 20 0 CCADLP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](C[C@H]2CCC[NH2+]2)CC1 ZINC000903458482 634565123 /nfs/dbraw/zinc/56/51/23/634565123.db2.gz BAOBHVXQJOUICQ-QLFBSQMISA-N 3 2 267.417 0.957 20 0 CCADLP [NH3+]CC1(c2ccccc2)CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000903792568 634646864 /nfs/dbraw/zinc/64/68/64/634646864.db2.gz FHHUXBKAZWRGDG-MRXNPFEDSA-N 3 2 289.423 0.967 20 0 CCADLP O=C1NCCO[C@@H]2CCC[N@H+](C[C@@H]3CCCC[NH2+]C3)[C@H]12 ZINC000903780076 634649480 /nfs/dbraw/zinc/64/94/80/634649480.db2.gz CWLVFMUUIIXVLL-MCIONIFRSA-N 2 2 281.400 0.356 20 0 CCADLP O=C1NCCO[C@@H]2CCC[N@@H+](C[C@@H]3CCCC[NH2+]C3)[C@H]12 ZINC000903780076 634649485 /nfs/dbraw/zinc/64/94/85/634649485.db2.gz CWLVFMUUIIXVLL-MCIONIFRSA-N 2 2 281.400 0.356 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903778163 634649568 /nfs/dbraw/zinc/64/95/68/634649568.db2.gz JRCNSRDLDPLOEF-AGIUHOORSA-N 3 2 253.390 0.567 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903778163 634649573 /nfs/dbraw/zinc/64/95/73/634649573.db2.gz JRCNSRDLDPLOEF-AGIUHOORSA-N 3 2 253.390 0.567 20 0 CCADLP O=S1(=O)C[C@H]2C[N@@H+](C[C@@H]3CCCC[NH2+]C3)C[C@H]2C1 ZINC000903827858 634660624 /nfs/dbraw/zinc/66/06/24/634660624.db2.gz YWQWOZABNSCKIR-UPJWGTAASA-N 2 2 272.414 0.353 20 0 CCADLP O=S1(=O)C[C@H]2C[N@H+](C[C@@H]3CCCC[NH2+]C3)C[C@H]2C1 ZINC000903827858 634660629 /nfs/dbraw/zinc/66/06/29/634660629.db2.gz YWQWOZABNSCKIR-UPJWGTAASA-N 2 2 272.414 0.353 20 0 CCADLP O[C@@H](Cn1cccn1)C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903865206 634669877 /nfs/dbraw/zinc/66/98/77/634669877.db2.gz BFZGFLCEUCBCID-OLZOCXBDSA-N 2 2 250.346 0.072 20 0 CCADLP O[C@@H](Cn1cccn1)C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903865206 634669880 /nfs/dbraw/zinc/66/98/80/634669880.db2.gz BFZGFLCEUCBCID-OLZOCXBDSA-N 2 2 250.346 0.072 20 0 CCADLP [NH3+]C[C@]12CC[C@H]1CC[N@@H+]2CCOC[C@@H]1CCCO1 ZINC000903856517 634668597 /nfs/dbraw/zinc/66/85/97/634668597.db2.gz RNOROKBGFXQJGR-MELADBBJSA-N 2 2 254.374 0.995 20 0 CCADLP [NH3+]C[C@]12CC[C@H]1CC[N@H+]2CCOC[C@@H]1CCCO1 ZINC000903856517 634668602 /nfs/dbraw/zinc/66/86/02/634668602.db2.gz RNOROKBGFXQJGR-MELADBBJSA-N 2 2 254.374 0.995 20 0 CCADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903918452 634685337 /nfs/dbraw/zinc/68/53/37/634685337.db2.gz ZTQGOAVEWREOKZ-KGLIPLIRSA-N 3 2 292.431 0.906 20 0 CCADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903918452 634685338 /nfs/dbraw/zinc/68/53/38/634685338.db2.gz ZTQGOAVEWREOKZ-KGLIPLIRSA-N 3 2 292.431 0.906 20 0 CCADLP c1cc(N2CC[NH2+]CC2)oc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000904350231 634731841 /nfs/dbraw/zinc/73/18/41/634731841.db2.gz IUYMHJZDESLCAV-DZGCQCFKSA-N 3 2 290.411 0.873 20 0 CCADLP c1cc(N2CC[NH2+]CC2)oc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000904350231 634731843 /nfs/dbraw/zinc/73/18/43/634731843.db2.gz IUYMHJZDESLCAV-DZGCQCFKSA-N 3 2 290.411 0.873 20 0 CCADLP C[C@@H]([NH2+]Cc1ccc(N2CC[NH2+]CC2)o1)[C@H](C)[NH3+] ZINC000904355704 634734478 /nfs/dbraw/zinc/73/44/78/634734478.db2.gz WORSNDGLLKALIP-WDEREUQCSA-N 3 2 252.362 0.515 20 0 CCADLP CN(C)C(=O)c1cccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000904371746 634735654 /nfs/dbraw/zinc/73/56/54/634735654.db2.gz SHZMPEFDFNEYSI-HNNXBMFYSA-N 2 2 291.395 0.938 20 0 CCADLP CN(C)C(=O)c1cccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000904371746 634735658 /nfs/dbraw/zinc/73/56/58/634735658.db2.gz SHZMPEFDFNEYSI-HNNXBMFYSA-N 2 2 291.395 0.938 20 0 CCADLP C[N@H+](CCF)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027702078 630859958 /nfs/dbraw/zinc/85/99/58/630859958.db2.gz RZUGLIUICNDFMY-LBPRGKRZSA-N 2 2 268.336 0.775 20 0 CCADLP C[N@@H+](CCF)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001027702078 630859961 /nfs/dbraw/zinc/85/99/61/630859961.db2.gz RZUGLIUICNDFMY-LBPRGKRZSA-N 2 2 268.336 0.775 20 0 CCADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[N@@H+](CCO)CC1 ZINC000981454776 631280925 /nfs/dbraw/zinc/28/09/25/631280925.db2.gz YYISTMPZBABKLF-UHFFFAOYSA-N 2 2 288.351 0.703 20 0 CCADLP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[N@H+](CCO)CC1 ZINC000981454776 631280932 /nfs/dbraw/zinc/28/09/32/631280932.db2.gz YYISTMPZBABKLF-UHFFFAOYSA-N 2 2 288.351 0.703 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)s1 ZINC000893660869 631337561 /nfs/dbraw/zinc/33/75/61/631337561.db2.gz GEJRCLLQSAXBTA-NSHDSACASA-N 2 2 283.445 0.962 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000094750354 631376856 /nfs/dbraw/zinc/37/68/56/631376856.db2.gz VOPAVILGFYYZJD-MCIONIFRSA-N 2 2 283.416 0.731 20 0 CCADLP CC[C@@H]1COC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000924903920 631612474 /nfs/dbraw/zinc/61/24/74/631612474.db2.gz YCFMPPRDHXTSBO-KFWWJZLASA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@@H]1COC[C@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000924903920 631612476 /nfs/dbraw/zinc/61/24/76/631612476.db2.gz YCFMPPRDHXTSBO-KFWWJZLASA-N 2 2 297.443 0.944 20 0 CCADLP Cc1nc(NC[C@H]2CC[N@@H+]2C2CCOCC2)nc(N)[nH+]1 ZINC000896526269 632265743 /nfs/dbraw/zinc/26/57/43/632265743.db2.gz VJMWQMOGKKJLNN-LLVKDONJSA-N 2 2 278.360 0.427 20 0 CCADLP Cc1nc(NC[C@H]2CC[N@H+]2C2CCOCC2)nc(N)[nH+]1 ZINC000896526269 632265747 /nfs/dbraw/zinc/26/57/47/632265747.db2.gz VJMWQMOGKKJLNN-LLVKDONJSA-N 2 2 278.360 0.427 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CN(C)CC[NH+]1C ZINC000896533240 632266855 /nfs/dbraw/zinc/26/68/55/632266855.db2.gz GRTIZDKLPHHEAM-SYQHCUMBSA-N 2 2 282.432 0.077 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CN(C)CC[NH+]1C ZINC000896533240 632266859 /nfs/dbraw/zinc/26/68/59/632266859.db2.gz GRTIZDKLPHHEAM-SYQHCUMBSA-N 2 2 282.432 0.077 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896533240 632266862 /nfs/dbraw/zinc/26/68/62/632266862.db2.gz GRTIZDKLPHHEAM-SYQHCUMBSA-N 2 2 282.432 0.077 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CN(C)CC[N@H+]1C ZINC000896533240 632266866 /nfs/dbraw/zinc/26/68/66/632266866.db2.gz GRTIZDKLPHHEAM-SYQHCUMBSA-N 2 2 282.432 0.077 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CN(C)CC[NH+]1C ZINC000896533238 632268477 /nfs/dbraw/zinc/26/84/77/632268477.db2.gz GRTIZDKLPHHEAM-DGAVXFQQSA-N 2 2 282.432 0.077 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CN(C)CC[NH+]1C ZINC000896533238 632268478 /nfs/dbraw/zinc/26/84/78/632268478.db2.gz GRTIZDKLPHHEAM-DGAVXFQQSA-N 2 2 282.432 0.077 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896533238 632268480 /nfs/dbraw/zinc/26/84/80/632268480.db2.gz GRTIZDKLPHHEAM-DGAVXFQQSA-N 2 2 282.432 0.077 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CN(C)CC[N@H+]1C ZINC000896533238 632268481 /nfs/dbraw/zinc/26/84/81/632268481.db2.gz GRTIZDKLPHHEAM-DGAVXFQQSA-N 2 2 282.432 0.077 20 0 CCADLP C[N@H+](CCF)C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000985351809 632446279 /nfs/dbraw/zinc/44/62/79/632446279.db2.gz KJJAZUVYZCLRAF-CYBMUJFWSA-N 2 2 287.379 0.209 20 0 CCADLP C[N@@H+](CCF)C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC000985351809 632446284 /nfs/dbraw/zinc/44/62/84/632446284.db2.gz KJJAZUVYZCLRAF-CYBMUJFWSA-N 2 2 287.379 0.209 20 0 CCADLP C[NH+](CCF)C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000985351809 632446288 /nfs/dbraw/zinc/44/62/88/632446288.db2.gz KJJAZUVYZCLRAF-CYBMUJFWSA-N 2 2 287.379 0.209 20 0 CCADLP C[NH+](CCF)C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000985351809 632446291 /nfs/dbraw/zinc/44/62/91/632446291.db2.gz KJJAZUVYZCLRAF-CYBMUJFWSA-N 2 2 287.379 0.209 20 0 CCADLP C[C@H](O)C[N@H+](C)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000985562718 632556588 /nfs/dbraw/zinc/55/65/88/632556588.db2.gz NGUVOMWIEXNGFX-ZDUSSCGKSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@H](O)C[N@@H+](C)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC000985562718 632556596 /nfs/dbraw/zinc/55/65/96/632556596.db2.gz NGUVOMWIEXNGFX-ZDUSSCGKSA-N 2 2 294.399 0.577 20 0 CCADLP O=C(N[C@H]1CCC[N@@H+](CCO)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001007680993 650087988 /nfs/dbraw/zinc/08/79/88/650087988.db2.gz SDTBSEIGDYALMP-OLZOCXBDSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(N[C@H]1CCC[N@H+](CCO)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001007680993 650087989 /nfs/dbraw/zinc/08/79/89/650087989.db2.gz SDTBSEIGDYALMP-OLZOCXBDSA-N 2 2 292.383 0.018 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)[C@H]1C ZINC000986217119 632730552 /nfs/dbraw/zinc/73/05/52/632730552.db2.gz XDMYTRQZTAHOTF-QWRGUYRKSA-N 2 2 250.346 0.941 20 0 CCADLP C[C@@H]1[C@H]([NH2+]CCF)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000986343403 632747791 /nfs/dbraw/zinc/74/77/91/632747791.db2.gz KRKLTJNBZUJEFX-ZYHUDNBSSA-N 2 2 268.336 0.891 20 0 CCADLP C[C@@H]1[C@H]([NH2+]CCF)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000986343403 632747793 /nfs/dbraw/zinc/74/77/93/632747793.db2.gz KRKLTJNBZUJEFX-ZYHUDNBSSA-N 2 2 268.336 0.891 20 0 CCADLP CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000988933400 633128409 /nfs/dbraw/zinc/12/84/09/633128409.db2.gz LBMYBKIJCHZRTN-JQWIXIFHSA-N 2 2 250.346 0.941 20 0 CCADLP CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000988933400 633128413 /nfs/dbraw/zinc/12/84/13/633128413.db2.gz LBMYBKIJCHZRTN-JQWIXIFHSA-N 2 2 250.346 0.941 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCF)CN1C(=O)CCc1[nH+]ccn1C ZINC000989225065 633171658 /nfs/dbraw/zinc/17/16/58/633171658.db2.gz ZNUNYBKUSQMOII-NEPJUHHUSA-N 2 2 282.363 0.901 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000865659870 633209516 /nfs/dbraw/zinc/20/95/16/633209516.db2.gz TYXUEEAHLVSESC-AVGNSLFASA-N 2 2 255.406 0.371 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000865659870 633209518 /nfs/dbraw/zinc/20/95/18/633209518.db2.gz TYXUEEAHLVSESC-AVGNSLFASA-N 2 2 255.406 0.371 20 0 CCADLP C[C@H]1C[NH+](C)C[C@@H]1N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000865659870 633209522 /nfs/dbraw/zinc/20/95/22/633209522.db2.gz TYXUEEAHLVSESC-AVGNSLFASA-N 2 2 255.406 0.371 20 0 CCADLP C[C@H]1C[NH+](C)C[C@@H]1N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000865659870 633209529 /nfs/dbraw/zinc/20/95/29/633209529.db2.gz TYXUEEAHLVSESC-AVGNSLFASA-N 2 2 255.406 0.371 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC000897760457 633236728 /nfs/dbraw/zinc/23/67/28/633236728.db2.gz RGANASFRBUIHKB-GWCFXTLKSA-N 2 2 279.388 0.856 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC000897760457 633236730 /nfs/dbraw/zinc/23/67/30/633236730.db2.gz RGANASFRBUIHKB-GWCFXTLKSA-N 2 2 279.388 0.856 20 0 CCADLP Cc1[nH+]cc(CN2CCN(C)CC[N@H+](C)CC2)n1C ZINC000897859136 633252959 /nfs/dbraw/zinc/25/29/59/633252959.db2.gz UPIBNRYBLHMLKA-UHFFFAOYSA-N 2 2 265.405 0.408 20 0 CCADLP Cc1[nH+]cc(CN2CCN(C)CC[N@@H+](C)CC2)n1C ZINC000897859136 633252961 /nfs/dbraw/zinc/25/29/61/633252961.db2.gz UPIBNRYBLHMLKA-UHFFFAOYSA-N 2 2 265.405 0.408 20 0 CCADLP COC[C@H](C)[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000989787349 633354715 /nfs/dbraw/zinc/35/47/15/633354715.db2.gz NYFYXOVRVIZLSE-ZDUSSCGKSA-N 2 2 280.372 0.452 20 0 CCADLP COC[C@H](C)[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000989787349 633354718 /nfs/dbraw/zinc/35/47/18/633354718.db2.gz NYFYXOVRVIZLSE-ZDUSSCGKSA-N 2 2 280.372 0.452 20 0 CCADLP COC[C@@H](C)[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000989787348 633355187 /nfs/dbraw/zinc/35/51/87/633355187.db2.gz NYFYXOVRVIZLSE-CYBMUJFWSA-N 2 2 280.372 0.452 20 0 CCADLP COC[C@@H](C)[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC000989787348 633355191 /nfs/dbraw/zinc/35/51/91/633355191.db2.gz NYFYXOVRVIZLSE-CYBMUJFWSA-N 2 2 280.372 0.452 20 0 CCADLP CC(C)[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000989857245 633367568 /nfs/dbraw/zinc/36/75/68/633367568.db2.gz IWQCFBJELNDELB-VXGBXAGGSA-N 2 2 250.346 0.871 20 0 CCADLP CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC000989858178 633367630 /nfs/dbraw/zinc/36/76/30/633367630.db2.gz XVJGBDSIPDPFGH-NEPJUHHUSA-N 2 2 250.346 0.872 20 0 CCADLP C[C@H]1[C@@H](NC(=O)N(C)CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000925328363 633448854 /nfs/dbraw/zinc/44/88/54/633448854.db2.gz INNWDUAYEBGVOE-STQMWFEESA-N 2 2 284.404 0.053 20 0 CCADLP C[C@H]1[C@@H](NC(=O)N(C)CC[NH+]2CCOCC2)CC[N@H+]1C ZINC000925328363 633448856 /nfs/dbraw/zinc/44/88/56/633448856.db2.gz INNWDUAYEBGVOE-STQMWFEESA-N 2 2 284.404 0.053 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCC[NH+](CCF)C2)C1 ZINC001008536770 650118962 /nfs/dbraw/zinc/11/89/62/650118962.db2.gz AQXPFEQSCGWJGL-CHWSQXEVSA-N 2 2 271.380 0.878 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCC[NH+](CCF)C2)C1 ZINC001008536770 650118966 /nfs/dbraw/zinc/11/89/66/650118966.db2.gz AQXPFEQSCGWJGL-CHWSQXEVSA-N 2 2 271.380 0.878 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](CCF)C2)C1 ZINC001008536770 650118971 /nfs/dbraw/zinc/11/89/71/650118971.db2.gz AQXPFEQSCGWJGL-CHWSQXEVSA-N 2 2 271.380 0.878 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](CCF)C2)C1 ZINC001008536770 650118975 /nfs/dbraw/zinc/11/89/75/650118975.db2.gz AQXPFEQSCGWJGL-CHWSQXEVSA-N 2 2 271.380 0.878 20 0 CCADLP C[NH+](C)C[C@@H]1CCN(C(=O)CNc2cccc[nH+]2)C1 ZINC000900712658 634076052 /nfs/dbraw/zinc/07/60/52/634076052.db2.gz VIPKMDLQCMDIKX-LBPRGKRZSA-N 2 2 262.357 0.904 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902375274 634374664 /nfs/dbraw/zinc/37/46/64/634374664.db2.gz UNDZLUMGRMQVAT-JSGCOSHPSA-N 3 2 255.406 0.421 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)C1 ZINC000902375274 634374671 /nfs/dbraw/zinc/37/46/71/634374671.db2.gz UNDZLUMGRMQVAT-JSGCOSHPSA-N 3 2 255.406 0.421 20 0 CCADLP COC[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001009714738 650156346 /nfs/dbraw/zinc/15/63/46/650156346.db2.gz GCSWOGIOZKNKIH-OLZOCXBDSA-N 2 2 280.372 0.499 20 0 CCADLP COC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001009714738 650156348 /nfs/dbraw/zinc/15/63/48/650156348.db2.gz GCSWOGIOZKNKIH-OLZOCXBDSA-N 2 2 280.372 0.499 20 0 CCADLP O[C@H](CCC1(O)CCC1)C[NH2+]CCCn1cc[nH+]c1 ZINC000905869671 634915986 /nfs/dbraw/zinc/91/59/86/634915986.db2.gz GUUUPBLFIITLKA-CYBMUJFWSA-N 2 2 267.373 0.919 20 0 CCADLP O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000906726662 635031788 /nfs/dbraw/zinc/03/17/88/635031788.db2.gz FMZVSOSABQQVEB-ADEWGFFLSA-N 2 2 299.334 0.282 20 0 CCADLP O=C(CNc1cccc[nH+]1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000907763676 635200421 /nfs/dbraw/zinc/20/04/21/635200421.db2.gz NTBMKPPQGUQIFB-UHFFFAOYSA-N 2 2 286.339 0.565 20 0 CCADLP O=C(N[C@@H]1CCc2c[nH+]cn2C1)C12CC[NH+](CC1)C2 ZINC000908133447 635287376 /nfs/dbraw/zinc/28/73/76/635287376.db2.gz BTXHEMXQRFENLD-LLVKDONJSA-N 2 2 260.341 0.410 20 0 CCADLP Cc1ncc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)o1 ZINC001010383536 650212733 /nfs/dbraw/zinc/21/27/33/650212733.db2.gz WWGPCYHCNKLNOL-TZMCWYRMSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1ncc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)o1 ZINC001010383536 650212737 /nfs/dbraw/zinc/21/27/37/650212737.db2.gz WWGPCYHCNKLNOL-TZMCWYRMSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1ncc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)o1 ZINC001010383536 650212740 /nfs/dbraw/zinc/21/27/40/650212740.db2.gz WWGPCYHCNKLNOL-TZMCWYRMSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)o1 ZINC001010383536 650212743 /nfs/dbraw/zinc/21/27/43/650212743.db2.gz WWGPCYHCNKLNOL-TZMCWYRMSA-N 2 2 292.383 0.768 20 0 CCADLP O=C(NC[C@@H]1CCC[NH2+]C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000911703884 636357007 /nfs/dbraw/zinc/35/70/07/636357007.db2.gz MSGRIIBXESSCBT-VXGBXAGGSA-N 2 2 262.357 0.561 20 0 CCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912907053 636696294 /nfs/dbraw/zinc/69/62/94/636696294.db2.gz KZTHGVJZRRIJTO-GXTWGEPZSA-N 2 2 274.368 0.752 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001014939706 637111940 /nfs/dbraw/zinc/11/19/40/637111940.db2.gz DTJBDLVGTDXBPS-PWSUYJOCSA-N 2 2 288.351 0.748 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001014939706 637111947 /nfs/dbraw/zinc/11/19/47/637111947.db2.gz DTJBDLVGTDXBPS-PWSUYJOCSA-N 2 2 288.351 0.748 20 0 CCADLP C(c1nnnn1C1CC1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000063200901 637207309 /nfs/dbraw/zinc/20/73/09/637207309.db2.gz ULXGYDFFSKFOHQ-CYBMUJFWSA-N 2 2 276.388 0.972 20 0 CCADLP CCOC(=O)CC[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000311232518 637289013 /nfs/dbraw/zinc/28/90/13/637289013.db2.gz ROPRJHPIKYJENF-LBPRGKRZSA-N 2 2 258.362 0.328 20 0 CCADLP CCOC(=O)CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000311232518 637289019 /nfs/dbraw/zinc/28/90/19/637289019.db2.gz ROPRJHPIKYJENF-LBPRGKRZSA-N 2 2 258.362 0.328 20 0 CCADLP C[C@H](C(=O)NC12CC[NH+](CC1)C2)[NH+]1CCSCC1 ZINC000913630875 637389676 /nfs/dbraw/zinc/38/96/76/637389676.db2.gz FAXUSJSRXBYIGM-LLVKDONJSA-N 2 2 269.414 0.388 20 0 CCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ccccn1 ZINC000939855730 638412355 /nfs/dbraw/zinc/41/23/55/638412355.db2.gz GWRXGGYKIDRPTI-UKRRQHHQSA-N 2 2 299.378 0.915 20 0 CCADLP C[C@@H]([NH3+])CCC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000070317373 638477685 /nfs/dbraw/zinc/47/76/85/638477685.db2.gz XDUAVPLYASARAF-LLVKDONJSA-N 2 2 257.378 0.341 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC000941130803 638515547 /nfs/dbraw/zinc/51/55/47/638515547.db2.gz VFYYTVXXBSHEQO-RYUDHWBXSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C1 ZINC000941130803 638515551 /nfs/dbraw/zinc/51/55/51/638515551.db2.gz VFYYTVXXBSHEQO-RYUDHWBXSA-N 2 2 294.399 0.550 20 0 CCADLP CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000995160429 638540798 /nfs/dbraw/zinc/54/07/98/638540798.db2.gz MWERSQDGSSFUAR-RYUDHWBXSA-N 2 2 264.373 0.857 20 0 CCADLP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC1(C)C ZINC000996106626 638809334 /nfs/dbraw/zinc/80/93/34/638809334.db2.gz ONQCVKRPIIYCNT-QWHCGFSZSA-N 2 2 294.399 0.481 20 0 CCADLP CC[NH2+]C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC000996834054 638834061 /nfs/dbraw/zinc/83/40/61/638834061.db2.gz LFSZTUWILIMCIX-UHFFFAOYSA-N 2 2 264.373 0.953 20 0 CCADLP CC(C)[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000997037988 638849706 /nfs/dbraw/zinc/84/97/06/638849706.db2.gz YOQMYIZQTNGICV-UHFFFAOYSA-N 2 2 250.346 0.941 20 0 CCADLP O[C@H](C[NH2+]Cc1cnn(CCF)c1)C[NH+]1CCCC1 ZINC000921587206 638865662 /nfs/dbraw/zinc/86/56/62/638865662.db2.gz OKIFMVKDGGYICK-CYBMUJFWSA-N 2 2 270.352 0.399 20 0 CCADLP CC[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC000999325013 638974730 /nfs/dbraw/zinc/97/47/30/638974730.db2.gz ZJWGOHKFHMOPKX-GFCCVEGCSA-N 2 2 250.346 0.943 20 0 CCADLP CC[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC000999325013 638974732 /nfs/dbraw/zinc/97/47/32/638974732.db2.gz ZJWGOHKFHMOPKX-GFCCVEGCSA-N 2 2 250.346 0.943 20 0 CCADLP CN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)C1CC([NH2+]CCO)C1 ZINC000999384302 638979167 /nfs/dbraw/zinc/97/91/67/638979167.db2.gz FYVNMFORYPCAIO-MCIGGMRASA-N 2 2 292.383 0.401 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001001050827 639217366 /nfs/dbraw/zinc/21/73/66/639217366.db2.gz BOUVYRVWEHXUCS-UONOGXRCSA-N 2 2 292.383 0.500 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cnn(C3CCC3)c2)C1 ZINC000921998457 639457143 /nfs/dbraw/zinc/45/71/43/639457143.db2.gz KLHDWDJQEWTFHC-AWEZNQCLSA-N 2 2 264.373 0.764 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cnn(C3CCC3)c2)C1 ZINC000921998457 639457145 /nfs/dbraw/zinc/45/71/45/639457145.db2.gz KLHDWDJQEWTFHC-AWEZNQCLSA-N 2 2 264.373 0.764 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](CCCF)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001014996564 650513100 /nfs/dbraw/zinc/51/31/00/650513100.db2.gz POLABLPPMZNECI-QWHCGFSZSA-N 2 2 294.374 0.996 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](CCCF)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001014996564 650513103 /nfs/dbraw/zinc/51/31/03/650513103.db2.gz POLABLPPMZNECI-QWHCGFSZSA-N 2 2 294.374 0.996 20 0 CCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CCO)C1)C2 ZINC001015013290 650515147 /nfs/dbraw/zinc/51/51/47/650515147.db2.gz JKWUYBHIKKDBIC-VXGBXAGGSA-N 2 2 292.383 0.006 20 0 CCADLP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCO)C1)C2 ZINC001015013290 650515148 /nfs/dbraw/zinc/51/51/48/650515148.db2.gz JKWUYBHIKKDBIC-VXGBXAGGSA-N 2 2 292.383 0.006 20 0 CCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC[N@H+](CCO)C1)CC2 ZINC001015013290 650515149 /nfs/dbraw/zinc/51/51/49/650515149.db2.gz JKWUYBHIKKDBIC-VXGBXAGGSA-N 2 2 292.383 0.006 20 0 CCADLP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC[N@@H+](CCO)C1)CC2 ZINC001015013290 650515150 /nfs/dbraw/zinc/51/51/50/650515150.db2.gz JKWUYBHIKKDBIC-VXGBXAGGSA-N 2 2 292.383 0.006 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](CCCO)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001015017134 650515999 /nfs/dbraw/zinc/51/59/99/650515999.db2.gz ZZVOXRFSVGCSTC-QWHCGFSZSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](CCCO)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001015017134 650516001 /nfs/dbraw/zinc/51/60/01/650516001.db2.gz ZZVOXRFSVGCSTC-QWHCGFSZSA-N 2 2 292.383 0.018 20 0 CCADLP C[C@H]1[C@H](NC(=O)NCc2c[nH+]cn2C)CC[N@@H+]1C ZINC000922516111 639712799 /nfs/dbraw/zinc/71/27/99/639712799.db2.gz SRAZIYBKCWMXCB-GXSJLCMTSA-N 2 2 251.334 0.312 20 0 CCADLP C[C@H]1[C@H](NC(=O)NCc2c[nH+]cn2C)CC[N@H+]1C ZINC000922516111 639712811 /nfs/dbraw/zinc/71/28/11/639712811.db2.gz SRAZIYBKCWMXCB-GXSJLCMTSA-N 2 2 251.334 0.312 20 0 CCADLP CO[C@@H](C)C[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001004257957 639738436 /nfs/dbraw/zinc/73/84/36/639738436.db2.gz OMHMNDINCJPLQV-LBPRGKRZSA-N 2 2 280.372 0.499 20 0 CCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000923324469 640086355 /nfs/dbraw/zinc/08/63/55/640086355.db2.gz VIZAPDQZYMSANJ-SRVKXCTJSA-N 3 2 250.346 0.440 20 0 CCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCN(Cc3cccnc3)CC2)C1 ZINC000923372170 640106509 /nfs/dbraw/zinc/10/65/09/640106509.db2.gz FKBPHPMDYJUDGK-KKUMJFAQSA-N 2 2 276.384 0.050 20 0 CCADLP [NH3+][C@@H]1CCCCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923411178 640128032 /nfs/dbraw/zinc/12/80/32/640128032.db2.gz MITGYBZDPBBXFB-OLZOCXBDSA-N 3 2 253.390 0.568 20 0 CCADLP [NH3+][C@@H]1CCCCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923411178 640128037 /nfs/dbraw/zinc/12/80/37/640128037.db2.gz MITGYBZDPBBXFB-OLZOCXBDSA-N 3 2 253.390 0.568 20 0 CCADLP FC(F)[C@@H]1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923421330 640135176 /nfs/dbraw/zinc/13/51/76/640135176.db2.gz PNXXHLGBCNSNBG-ZJUUUORDSA-N 2 2 262.300 0.331 20 0 CCADLP FC(F)[C@@H]1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCO1 ZINC000923421330 640135184 /nfs/dbraw/zinc/13/51/84/640135184.db2.gz PNXXHLGBCNSNBG-ZJUUUORDSA-N 2 2 262.300 0.331 20 0 CCADLP C[N@@H+]1CC[C@@H]2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)[C@@H]2C1 ZINC000923432366 640137279 /nfs/dbraw/zinc/13/72/79/640137279.db2.gz LLSWHIGDGALMMV-MGPQQGTHSA-N 3 2 265.401 0.391 20 0 CCADLP C[N@H+]1CC[C@@H]2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)[C@@H]2C1 ZINC000923432366 640137288 /nfs/dbraw/zinc/13/72/88/640137288.db2.gz LLSWHIGDGALMMV-MGPQQGTHSA-N 3 2 265.401 0.391 20 0 CCADLP C[NH+]1CC[C@@H]2CC[N@H+](C[C@H]3CC4(C[NH2+]C4)CO3)[C@@H]2C1 ZINC000923432366 640137293 /nfs/dbraw/zinc/13/72/93/640137293.db2.gz LLSWHIGDGALMMV-MGPQQGTHSA-N 3 2 265.401 0.391 20 0 CCADLP C[NH+]1CC[C@@H]2CC[N@@H+](C[C@H]3CC4(C[NH2+]C4)CO3)[C@@H]2C1 ZINC000923432366 640137299 /nfs/dbraw/zinc/13/72/99/640137299.db2.gz LLSWHIGDGALMMV-MGPQQGTHSA-N 3 2 265.401 0.391 20 0 CCADLP Cc1cc(C)cc([C@H](O)C[NH2+]C[C@@H](O)C[NH+](C)C)c1 ZINC000843062276 640365795 /nfs/dbraw/zinc/36/57/95/640365795.db2.gz NRRBEVZZEYTMFP-HUUCEWRRSA-N 2 2 266.385 0.849 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000806700078 640797566 /nfs/dbraw/zinc/79/75/66/640797566.db2.gz RAWYRIQYAYNIJH-NEPJUHHUSA-N 2 2 278.356 0.322 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000806700078 640797575 /nfs/dbraw/zinc/79/75/75/640797575.db2.gz RAWYRIQYAYNIJH-NEPJUHHUSA-N 2 2 278.356 0.322 20 0 CCADLP C[C@@H](F)CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001015995827 650672193 /nfs/dbraw/zinc/67/21/93/650672193.db2.gz AOYNPUJDYCPJOI-VXGBXAGGSA-N 2 2 282.363 0.901 20 0 CCADLP C[C@@H](F)CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001015995827 650672195 /nfs/dbraw/zinc/67/21/95/650672195.db2.gz AOYNPUJDYCPJOI-VXGBXAGGSA-N 2 2 282.363 0.901 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](CCF)C1)C12CC[NH+](CC1)C2 ZINC001016004491 650673458 /nfs/dbraw/zinc/67/34/58/650673458.db2.gz XXSVQHODLDIVRQ-LLVKDONJSA-N 2 2 255.337 0.242 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](CCF)C1)C12CC[NH+](CC1)C2 ZINC001016004491 650673460 /nfs/dbraw/zinc/67/34/60/650673460.db2.gz XXSVQHODLDIVRQ-LLVKDONJSA-N 2 2 255.337 0.242 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC001016398547 650725089 /nfs/dbraw/zinc/72/50/89/650725089.db2.gz VAHLCXNDSGHJFE-KGLIPLIRSA-N 2 2 292.383 0.643 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC001016398547 650725093 /nfs/dbraw/zinc/72/50/93/650725093.db2.gz VAHLCXNDSGHJFE-KGLIPLIRSA-N 2 2 292.383 0.643 20 0 CCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@]1(F)CC[NH2+]C1 ZINC000831443926 642364395 /nfs/dbraw/zinc/36/43/95/642364395.db2.gz REFYITAUQCFNQI-BXUZGUMPSA-N 2 2 278.331 0.478 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC1CC[NH+](C2CC2)CC1 ZINC000834580864 642611967 /nfs/dbraw/zinc/61/19/67/642611967.db2.gz QPNOHOBBOFDWAD-UHFFFAOYSA-N 2 2 262.357 0.943 20 0 CCADLP Cc1ccc(NC(=O)N2CC[NH2+]CC2)c(N(C)C)[nH+]1 ZINC000841155098 642806055 /nfs/dbraw/zinc/80/60/55/642806055.db2.gz RUAAPADBEQLSSC-UHFFFAOYSA-N 2 2 263.345 0.893 20 0 CCADLP C[C@@H](NC(=O)/C=C/C[NH+]1CCOCC1)C1=CC[N@H+](C)CC1 ZINC000867305972 642964707 /nfs/dbraw/zinc/96/47/07/642964707.db2.gz ADJSMWCKCHZMPJ-RDFMZFSFSA-N 2 2 293.411 0.641 20 0 CCADLP C[C@@H](NC(=O)/C=C/C[NH+]1CCOCC1)C1=CC[N@@H+](C)CC1 ZINC000867305972 642964712 /nfs/dbraw/zinc/96/47/12/642964712.db2.gz ADJSMWCKCHZMPJ-RDFMZFSFSA-N 2 2 293.411 0.641 20 0 CCADLP C[C@@H]1C[C@H](C)N(C(=O)c2n[nH]c3c2C[NH2+]CC3)C[C@H]1C[NH3+] ZINC000843501046 643086557 /nfs/dbraw/zinc/08/65/57/643086557.db2.gz APHIQCULSAHUFH-OUAUKWLOSA-N 2 2 291.399 0.501 20 0 CCADLP C[C@@H](CNC(=O)CO[C@@H]1CCC[NH2+]C1)Cn1cc[nH+]c1 ZINC000844176366 643172220 /nfs/dbraw/zinc/17/22/20/643172220.db2.gz RGOZJFONQBXODL-QWHCGFSZSA-N 2 2 280.372 0.404 20 0 CCADLP C[N@H+](CC(F)F)C1CCN(C(=O)CCC[NH3+])CC1 ZINC000844187397 643176886 /nfs/dbraw/zinc/17/68/86/643176886.db2.gz FRGUSFVOENNGGG-UHFFFAOYSA-N 2 2 263.332 0.913 20 0 CCADLP C[N@@H+](CC(F)F)C1CCN(C(=O)CCC[NH3+])CC1 ZINC000844187397 643176890 /nfs/dbraw/zinc/17/68/90/643176890.db2.gz FRGUSFVOENNGGG-UHFFFAOYSA-N 2 2 263.332 0.913 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCc2ccccn2)C1 ZINC000844222315 643185401 /nfs/dbraw/zinc/18/54/01/643185401.db2.gz ADMNHHZJFRXQEA-RYUDHWBXSA-N 2 2 262.357 0.367 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCc2ccccn2)C1 ZINC000844222315 643185406 /nfs/dbraw/zinc/18/54/06/643185406.db2.gz ADMNHHZJFRXQEA-RYUDHWBXSA-N 2 2 262.357 0.367 20 0 CCADLP Cn1ccnc1[C@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000846837104 643461419 /nfs/dbraw/zinc/46/14/19/643461419.db2.gz WOTHDDUQZKIJCI-UONOGXRCSA-N 2 2 278.400 0.666 20 0 CCADLP Cn1ccnc1[C@H]1CC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000846837104 643461425 /nfs/dbraw/zinc/46/14/25/643461425.db2.gz WOTHDDUQZKIJCI-UONOGXRCSA-N 2 2 278.400 0.666 20 0 CCADLP O=C1OCC[C@@H]1CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000846877520 643465352 /nfs/dbraw/zinc/46/53/52/643465352.db2.gz JPGMGPCYZABHDU-NSHDSACASA-N 2 2 264.329 0.485 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=S)NCC[NH+](C)C)[C@@H](C)CO1 ZINC000849280488 643726637 /nfs/dbraw/zinc/72/66/37/643726637.db2.gz DMEJCSXRRXWTNP-NWDGAFQWSA-N 2 2 288.461 0.121 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=S)NCC[NH+](C)C)[C@@H](C)CO1 ZINC000849280488 643726641 /nfs/dbraw/zinc/72/66/41/643726641.db2.gz DMEJCSXRRXWTNP-NWDGAFQWSA-N 2 2 288.461 0.121 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](C[C@H](O)c2ccccn2)CC1 ZINC000851860154 643892113 /nfs/dbraw/zinc/89/21/13/643892113.db2.gz FXLVJSPCBPAZSJ-AWEZNQCLSA-N 2 2 287.367 0.671 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nncs2)C1 ZINC001018635617 650888000 /nfs/dbraw/zinc/88/80/00/650888000.db2.gz POLLPMMCJDXAGO-QWRGUYRKSA-N 2 2 295.412 0.323 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nncs2)C1 ZINC001018635617 650888002 /nfs/dbraw/zinc/88/80/02/650888002.db2.gz POLLPMMCJDXAGO-QWRGUYRKSA-N 2 2 295.412 0.323 20 0 CCADLP O[C@H](C[NH2+]C[C@@H](O)c1ccccn1)C[NH+]1CCCC1 ZINC000853108608 644075088 /nfs/dbraw/zinc/07/50/88/644075088.db2.gz INHNUGBZBOVTHT-TZMCWYRMSA-N 2 2 265.357 0.161 20 0 CCADLP NC(=O)c1cccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000112839261 644276834 /nfs/dbraw/zinc/27/68/34/644276834.db2.gz HXNOHGGLGIWNOP-HUUCEWRRSA-N 2 2 289.379 0.738 20 0 CCADLP NC(=O)c1cccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000112839261 644276838 /nfs/dbraw/zinc/27/68/38/644276838.db2.gz HXNOHGGLGIWNOP-HUUCEWRRSA-N 2 2 289.379 0.738 20 0 CCADLP CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cnon2)C1)[NH+](C)C ZINC001019032400 650932068 /nfs/dbraw/zinc/93/20/68/650932068.db2.gz VITBMICQJPOMCX-CMPLNLGQSA-N 2 2 281.360 0.100 20 0 CCADLP C[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3cnon3)C2)CC1 ZINC001019325203 650961426 /nfs/dbraw/zinc/96/14/26/650961426.db2.gz ORSQZQFOXYIERO-LBPRGKRZSA-N 2 2 293.371 0.102 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001019493943 650978113 /nfs/dbraw/zinc/97/81/13/650978113.db2.gz SQJRPUYTDDYZJT-MNOVXSKESA-N 2 2 250.346 0.799 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001019493943 650978114 /nfs/dbraw/zinc/97/81/14/650978114.db2.gz SQJRPUYTDDYZJT-MNOVXSKESA-N 2 2 250.346 0.799 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]([NH2+]CC2CCC2)C1 ZINC001019565800 650988309 /nfs/dbraw/zinc/98/83/09/650988309.db2.gz BRWWNQQAIOIKGJ-LBPRGKRZSA-N 2 2 262.357 0.943 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2cc(Cl)c[nH]2)C[C@H]1[NH3+] ZINC000864352987 645214761 /nfs/dbraw/zinc/21/47/61/645214761.db2.gz BHDAYANWSGZHPL-NXEZZACHSA-N 2 2 293.758 0.969 20 0 CCADLP C[C@@H]1C[C@@H]1NC(=[NH2+])NCC1([NH+]2CCOCC2)CCOCC1 ZINC000864467078 645231183 /nfs/dbraw/zinc/23/11/83/645231183.db2.gz SIQWLXUDAPFYLX-OLZOCXBDSA-N 2 2 296.415 0.390 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001019656542 650995851 /nfs/dbraw/zinc/99/58/51/650995851.db2.gz LSXFASHZJXCPRP-QWRGUYRKSA-N 2 2 280.372 0.259 20 0 CCADLP C[C@H]1CCCC[N@@H+]1CCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864879632 645299196 /nfs/dbraw/zinc/29/91/96/645299196.db2.gz MIOLRBAIFAKFGD-DRDHIDPGSA-N 2 2 295.427 0.865 20 0 CCADLP C[C@H]1CCCC[N@H+]1CCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000864879632 645299200 /nfs/dbraw/zinc/29/92/00/645299200.db2.gz MIOLRBAIFAKFGD-DRDHIDPGSA-N 2 2 295.427 0.865 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000865411378 645364585 /nfs/dbraw/zinc/36/45/85/645364585.db2.gz CNBQNHJTWTUMPZ-JSGCOSHPSA-N 2 2 290.371 0.832 20 0 CCADLP C[C@@H](CCNC(=O)/C=C\C[NH+]1CCOCC1)[NH+](C)C ZINC000869241242 645861933 /nfs/dbraw/zinc/86/19/33/645861933.db2.gz BXOHYLGEFKBZCZ-ZFDPJTLLSA-N 2 2 269.389 0.331 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H](C)O)C2)c[nH+]1 ZINC001020286109 651055995 /nfs/dbraw/zinc/05/59/95/651055995.db2.gz SPCQDXHFBGEVQQ-JHJVBQTASA-N 2 2 294.399 0.544 20 0 CCADLP O=S(=O)(NCc1ccn2cc[nH+]c2c1)[C@H]1CCC[NH2+]C1 ZINC000923627677 646113798 /nfs/dbraw/zinc/11/37/98/646113798.db2.gz HSIOINOSVYCZIP-LBPRGKRZSA-N 2 2 294.380 0.506 20 0 CCADLP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C2 ZINC000872154448 646215563 /nfs/dbraw/zinc/21/55/63/646215563.db2.gz VARFVNBTGDGAAI-LUKYLMHMSA-N 3 2 289.423 0.459 20 0 CCADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C2 ZINC000872154448 646215569 /nfs/dbraw/zinc/21/55/69/646215569.db2.gz VARFVNBTGDGAAI-LUKYLMHMSA-N 3 2 289.423 0.459 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccnc(-n2cncn2)c1 ZINC000873238411 646364395 /nfs/dbraw/zinc/36/43/95/646364395.db2.gz YNAGHJZHDCRTKN-DGCLKSJQSA-N 2 2 272.356 0.750 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873269486 646368898 /nfs/dbraw/zinc/36/88/98/646368898.db2.gz IBAAKTUQRSCRFQ-YRGRVCCFSA-N 3 2 255.406 0.731 20 0 CCADLP O=C(NCCn1cc[nH+]c1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000874434003 646465081 /nfs/dbraw/zinc/46/50/81/646465081.db2.gz XPUQILOWRQDQKH-NEPJUHHUSA-N 2 2 263.345 0.419 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876724438 646650601 /nfs/dbraw/zinc/65/06/01/646650601.db2.gz XEDSKPFRRBRJBA-IJLUTSLNSA-N 2 2 269.389 0.197 20 0 CCADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@@H]1CCC[NH2+]CC1 ZINC000876825995 646675044 /nfs/dbraw/zinc/67/50/44/646675044.db2.gz ANTNAWXQVONPFI-QDOCKXBDSA-N 2 2 267.373 0.133 20 0 CCADLP C[C@H](CCCC[NH3+])NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876855658 646682830 /nfs/dbraw/zinc/68/28/30/646682830.db2.gz YNPASVNYOMYPOM-RYWCDNDXSA-N 2 2 269.389 0.509 20 0 CCADLP [NH3+]C[C@@H](NC(=O)/C=C\C[NH+]1CCOCC1)C1CCCC1 ZINC000876913210 646695169 /nfs/dbraw/zinc/69/51/69/646695169.db2.gz ORZFYYYXUUPJAH-JHAQOBCDSA-N 2 2 281.400 0.509 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876934239 646700213 /nfs/dbraw/zinc/70/02/13/646700213.db2.gz FGJMFSKTXYUNKP-RRNNCXACSA-N 2 2 255.362 0.117 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876934237 646700413 /nfs/dbraw/zinc/70/04/13/646700413.db2.gz FGJMFSKTXYUNKP-HEKLCECKSA-N 2 2 255.362 0.117 20 0 CCADLP [NH3+]CCCCCCNC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876938030 646701350 /nfs/dbraw/zinc/70/13/50/646701350.db2.gz NBWUDBOGDZVIIS-AATRIKPKSA-N 2 2 269.389 0.510 20 0 CCADLP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000877665500 646833962 /nfs/dbraw/zinc/83/39/62/646833962.db2.gz XOSDFQVKZFEBEY-MJBXVCDLSA-N 2 2 297.443 0.869 20 0 CCADLP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000877665500 646833963 /nfs/dbraw/zinc/83/39/63/646833963.db2.gz XOSDFQVKZFEBEY-MJBXVCDLSA-N 2 2 297.443 0.869 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C[C@@H]1F ZINC000878383381 646900938 /nfs/dbraw/zinc/90/09/38/646900938.db2.gz OXDXBQVDWKUIBE-AAEUAGOBSA-N 2 2 271.380 0.877 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C)CC2)C[C@@H]1F ZINC000878383381 646900940 /nfs/dbraw/zinc/90/09/40/646900940.db2.gz OXDXBQVDWKUIBE-AAEUAGOBSA-N 2 2 271.380 0.877 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCC([C@@H](F)C(N)=O)CC1 ZINC000879045466 647019472 /nfs/dbraw/zinc/01/94/72/647019472.db2.gz YCWCWMNDKUOUKA-GFCCVEGCSA-N 2 2 268.336 0.727 20 0 CCADLP Cn1nnnc1CC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000879204027 647036331 /nfs/dbraw/zinc/03/63/31/647036331.db2.gz ZCZJSYMCSWJJKZ-UHFFFAOYSA-N 2 2 278.404 0.703 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879569300 647075416 /nfs/dbraw/zinc/07/54/16/647075416.db2.gz MVHCCWRTKAXPIR-NQBHXWOUSA-N 2 2 251.374 0.680 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879569300 647075419 /nfs/dbraw/zinc/07/54/19/647075419.db2.gz MVHCCWRTKAXPIR-NQBHXWOUSA-N 2 2 251.374 0.680 20 0 CCADLP C[C@H](C(=O)NC1CC1)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879569300 647075424 /nfs/dbraw/zinc/07/54/24/647075424.db2.gz MVHCCWRTKAXPIR-NQBHXWOUSA-N 2 2 251.374 0.680 20 0 CCADLP C[C@H](C(=O)NC1CC1)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879569300 647075430 /nfs/dbraw/zinc/07/54/30/647075430.db2.gz MVHCCWRTKAXPIR-NQBHXWOUSA-N 2 2 251.374 0.680 20 0 CCADLP O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000879992449 647140674 /nfs/dbraw/zinc/14/06/74/647140674.db2.gz LVZCLOKXOAKRDF-CHWSQXEVSA-N 2 2 292.383 0.018 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261528 647176463 /nfs/dbraw/zinc/17/64/63/647176463.db2.gz LQYVKLSKRYMERQ-QWRGUYRKSA-N 2 2 291.355 0.176 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261528 647176467 /nfs/dbraw/zinc/17/64/67/647176467.db2.gz LQYVKLSKRYMERQ-QWRGUYRKSA-N 2 2 291.355 0.176 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880580961 647234254 /nfs/dbraw/zinc/23/42/54/647234254.db2.gz TUXJOQYFFGWWOA-AWEZNQCLSA-N 2 2 279.384 0.826 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880580961 647234257 /nfs/dbraw/zinc/23/42/57/647234257.db2.gz TUXJOQYFFGWWOA-AWEZNQCLSA-N 2 2 279.384 0.826 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N(C)[C@@H]2CC[NH2+]C2)c[nH+]1 ZINC000884028601 647617286 /nfs/dbraw/zinc/61/72/86/647617286.db2.gz LNLSAEMBBINONZ-LLVKDONJSA-N 2 2 250.346 0.747 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c[nH+]1 ZINC000884043508 647624866 /nfs/dbraw/zinc/62/48/66/647624866.db2.gz WYWHGDBDJYMVQE-NEPJUHHUSA-N 2 2 280.372 0.501 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCOCC(F)(F)F ZINC000134010979 647670866 /nfs/dbraw/zinc/67/08/66/647670866.db2.gz WHSOPWKRVMTKFW-ZJUUUORDSA-N 2 2 270.295 0.922 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N2CCO[C@H](C[NH3+])C2)c[nH+]1 ZINC000884252551 647683394 /nfs/dbraw/zinc/68/33/94/647683394.db2.gz NBLSGIIVBKJXQG-LLVKDONJSA-N 2 2 266.345 0.113 20 0 CCADLP Cc1c[nH]nc1C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000886840092 648024144 /nfs/dbraw/zinc/02/41/44/648024144.db2.gz STYIOZSHPAPYMS-LBPRGKRZSA-N 2 2 275.360 0.605 20 0 CCADLP Cc1c[nH]nc1C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000886840092 648024146 /nfs/dbraw/zinc/02/41/46/648024146.db2.gz STYIOZSHPAPYMS-LBPRGKRZSA-N 2 2 275.360 0.605 20 0 CCADLP Cc1cn[nH]c1C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000886840092 648024149 /nfs/dbraw/zinc/02/41/49/648024149.db2.gz STYIOZSHPAPYMS-LBPRGKRZSA-N 2 2 275.360 0.605 20 0 CCADLP Cc1cn[nH]c1C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000886840092 648024154 /nfs/dbraw/zinc/02/41/54/648024154.db2.gz STYIOZSHPAPYMS-LBPRGKRZSA-N 2 2 275.360 0.605 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887130418 648071779 /nfs/dbraw/zinc/07/17/79/648071779.db2.gz CZMNJLVQDCRNKY-MNOVXSKESA-N 2 2 291.355 0.176 20 0 CCADLP C[C@@H](C(=O)NC(N)=O)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887130418 648071782 /nfs/dbraw/zinc/07/17/82/648071782.db2.gz CZMNJLVQDCRNKY-MNOVXSKESA-N 2 2 291.355 0.176 20 0 CCADLP C[C@@H](CNC(=[NH2+])NCC(F)F)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000887362838 648098240 /nfs/dbraw/zinc/09/82/40/648098240.db2.gz AWFDJBGJQJMYES-LPEHRKFASA-N 2 2 278.347 0.863 20 0 CCADLP C[C@@H](CNC(=[NH2+])NCC(F)F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000887362838 648098245 /nfs/dbraw/zinc/09/82/45/648098245.db2.gz AWFDJBGJQJMYES-LPEHRKFASA-N 2 2 278.347 0.863 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889743742 648240948 /nfs/dbraw/zinc/24/09/48/648240948.db2.gz IAQMPNKUMHPILP-QWHCGFSZSA-N 2 2 278.356 0.010 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889743742 648240954 /nfs/dbraw/zinc/24/09/54/648240954.db2.gz IAQMPNKUMHPILP-QWHCGFSZSA-N 2 2 278.356 0.010 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NCC[NH+]2C[C@@H](C)OC[C@@H]2C)CC[N@@H+]1C ZINC000925344265 648423058 /nfs/dbraw/zinc/42/30/58/648423058.db2.gz SHRZGDLUNXMTDG-REWJHTLYSA-N 2 2 298.431 0.487 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NCC[NH+]2C[C@@H](C)OC[C@@H]2C)CC[N@H+]1C ZINC000925344265 648423060 /nfs/dbraw/zinc/42/30/60/648423060.db2.gz SHRZGDLUNXMTDG-REWJHTLYSA-N 2 2 298.431 0.487 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)CC[NH+]1C ZINC000925344265 648423066 /nfs/dbraw/zinc/42/30/66/648423066.db2.gz SHRZGDLUNXMTDG-REWJHTLYSA-N 2 2 298.431 0.487 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)CC[NH+]1C ZINC000925344265 648423069 /nfs/dbraw/zinc/42/30/69/648423069.db2.gz SHRZGDLUNXMTDG-REWJHTLYSA-N 2 2 298.431 0.487 20 0 CCADLP C[C@H](C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)CN1CC[NH+](C)CC1 ZINC000925489815 648439241 /nfs/dbraw/zinc/43/92/41/648439241.db2.gz LRRBKDSAZYMUHS-UTQGOSHXSA-N 3 2 292.471 0.456 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925549537 648442091 /nfs/dbraw/zinc/44/20/91/648442091.db2.gz MTGGBAAQHLPLTA-ZIAGYGMSSA-N 3 2 266.433 0.497 20 0 CCADLP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2C[NH2+]CCOC2)C[C@@H](C)O1 ZINC000925568348 648443951 /nfs/dbraw/zinc/44/39/51/648443951.db2.gz JTSAGPRSDXTLEA-RBSFLKMASA-N 3 2 285.432 0.454 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000925577791 648444145 /nfs/dbraw/zinc/44/41/45/648444145.db2.gz WNCXUWKCMQSJNN-WDEREUQCSA-N 2 2 260.403 0.541 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925640993 648450284 /nfs/dbraw/zinc/45/02/84/648450284.db2.gz WZHRDYAKEXNGGR-JYJNAYRXSA-N 3 2 281.444 0.811 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)C1 ZINC000925640993 648450286 /nfs/dbraw/zinc/45/02/86/648450286.db2.gz WZHRDYAKEXNGGR-JYJNAYRXSA-N 3 2 281.444 0.811 20 0 CCADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000925696087 648454336 /nfs/dbraw/zinc/45/43/36/648454336.db2.gz SNKNCDLBQROTDW-HUUCEWRRSA-N 2 2 297.443 0.598 20 0 CCADLP C[C@@H]([NH2+][C@H]1CC(=O)N(CC2CC2)C1)[C@H]1CCC[NH2+]1 ZINC000925773124 648460670 /nfs/dbraw/zinc/46/06/70/648460670.db2.gz XAHZSONWJJRGHK-KGYLQXTDSA-N 2 2 251.374 0.727 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000925780750 648461270 /nfs/dbraw/zinc/46/12/70/648461270.db2.gz VJDIGAWIMQJKMJ-RQJABVFESA-N 3 2 253.390 0.613 20 0 CCADLP [NH3+]C1CCN(CC[NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925818142 648464660 /nfs/dbraw/zinc/46/46/60/648464660.db2.gz ZEVYABFDLDWCTB-ZDUSSCGKSA-N 3 2 252.406 0.284 20 0 CCADLP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@@H]1CCC[NH2+]1 ZINC000925848301 648466121 /nfs/dbraw/zinc/46/61/21/648466121.db2.gz FCDNBKZXHQIUBB-UPJWGTAASA-N 3 2 281.400 0.402 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925846441 648466665 /nfs/dbraw/zinc/46/66/65/648466665.db2.gz NHJWHDNPHAWQIW-HOTGVXAUSA-N 3 2 298.475 0.419 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000930124202 648826439 /nfs/dbraw/zinc/82/64/39/648826439.db2.gz HJNMPYDJFRTHOG-KBPBESRZSA-N 2 2 283.372 0.107 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000930124202 648826442 /nfs/dbraw/zinc/82/64/42/648826442.db2.gz HJNMPYDJFRTHOG-KBPBESRZSA-N 2 2 283.372 0.107 20 0 CCADLP Cc1cc(C)[nH+]c(CN2CCN(CC[NH+](C)C)C(=O)C2)c1 ZINC000930846851 648916942 /nfs/dbraw/zinc/91/69/42/648916942.db2.gz GJKTVHWLXCKOIC-UHFFFAOYSA-N 2 2 290.411 0.904 20 0 CCADLP C[C@@H]1C[NH+](CCN2CCC(O)(C[NH+](C)C)CC2)C[C@@H](C)O1 ZINC000931480642 648993915 /nfs/dbraw/zinc/99/39/15/648993915.db2.gz HGMZNCIZQYSVMY-HUUCEWRRSA-N 2 2 299.459 0.484 20 0 CCADLP C[C@H](c1ncccn1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931480296 648993931 /nfs/dbraw/zinc/99/39/31/648993931.db2.gz SUXWNTIAWUGGHX-GFCCVEGCSA-N 2 2 264.373 0.926 20 0 CCADLP Nc1cc[nH+]c2c1C[N@H+](C[C@@H]1C[C@H]3COC[C@H]3O1)CC2 ZINC000931517488 648999617 /nfs/dbraw/zinc/99/96/17/648999617.db2.gz ZQUDDIKFSZEIES-ZIBATOQPSA-N 2 2 275.352 0.826 20 0 CCADLP Nc1cc[nH+]c2c1C[N@@H+](C[C@@H]1C[C@H]3COC[C@H]3O1)CC2 ZINC000931517488 648999619 /nfs/dbraw/zinc/99/96/19/648999619.db2.gz ZQUDDIKFSZEIES-ZIBATOQPSA-N 2 2 275.352 0.826 20 0 CCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H](O)CC(C)(C)O ZINC000931718544 649022242 /nfs/dbraw/zinc/02/22/42/649022242.db2.gz ATXGWXYTKPTFSK-XQQFMLRXSA-N 2 2 256.390 0.677 20 0 CCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H](O)CC(C)(C)O ZINC000931718544 649022244 /nfs/dbraw/zinc/02/22/44/649022244.db2.gz ATXGWXYTKPTFSK-XQQFMLRXSA-N 2 2 256.390 0.677 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H](O)CC(C)(C)O ZINC000931718544 649022245 /nfs/dbraw/zinc/02/22/45/649022245.db2.gz ATXGWXYTKPTFSK-XQQFMLRXSA-N 2 2 256.390 0.677 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H](O)CC(C)(C)O ZINC000931718544 649022248 /nfs/dbraw/zinc/02/22/48/649022248.db2.gz ATXGWXYTKPTFSK-XQQFMLRXSA-N 2 2 256.390 0.677 20 0 CCADLP Cc1[nH]c(CNC(=O)COC2CC[NH+](C)CC2)[nH+]c1C ZINC000934424129 649174854 /nfs/dbraw/zinc/17/48/54/649174854.db2.gz ANIQCXRKHVCNMB-UHFFFAOYSA-N 2 2 280.372 0.754 20 0 CCADLP O=C(N[C@@H](CO)C[NH+]1CCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC000935985421 649277352 /nfs/dbraw/zinc/27/73/52/649277352.db2.gz OZDXIKAVEDMLFK-GFCCVEGCSA-N 2 2 288.351 0.749 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000949623625 649434198 /nfs/dbraw/zinc/43/41/98/649434198.db2.gz IQUWREKOAYMNLK-CYBMUJFWSA-N 2 2 283.416 0.386 20 0 CCADLP C[C@@H](O)C[NH+]1CCC(N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC001006472686 649524175 /nfs/dbraw/zinc/52/41/75/649524175.db2.gz JJQNAUBUEINGBX-GFCCVEGCSA-N 2 2 280.372 0.187 20 0 CCADLP C[N@@H+]1CCC[C@@H]2C[NH+](CN3CCOC3=S)CC[C@H]21 ZINC000247134292 649703492 /nfs/dbraw/zinc/70/34/92/649703492.db2.gz RWBRTFFSFJLVDO-VXGBXAGGSA-N 2 2 269.414 0.977 20 0 CCADLP C[N@H+]1CCC[C@@H]2C[NH+](CN3CCOC3=S)CC[C@H]21 ZINC000247134292 649703496 /nfs/dbraw/zinc/70/34/96/649703496.db2.gz RWBRTFFSFJLVDO-VXGBXAGGSA-N 2 2 269.414 0.977 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@H+](CN3CCOC3=S)CC[C@H]21 ZINC000247134292 649703503 /nfs/dbraw/zinc/70/35/03/649703503.db2.gz RWBRTFFSFJLVDO-VXGBXAGGSA-N 2 2 269.414 0.977 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@@H+](CN3CCOC3=S)CC[C@H]21 ZINC000247134292 649703506 /nfs/dbraw/zinc/70/35/06/649703506.db2.gz RWBRTFFSFJLVDO-VXGBXAGGSA-N 2 2 269.414 0.977 20 0 CCADLP CCCc1cc(N2CCN3CC[NH2+]C[C@@H]3C2)nc(C)[nH+]1 ZINC001164398804 718836525 /nfs/dbraw/zinc/83/65/25/718836525.db2.gz LJUUHMJCXBYBCV-CQSZACIVSA-N 2 2 275.400 0.831 20 0 CCADLP c1nc2c(c(N3CC[NH+](C[C@H]4CCCO4)CC3)n1)C[NH2+]C2 ZINC001165038023 721905694 /nfs/dbraw/zinc/90/56/94/721905694.db2.gz IVRZTQVLMGIASA-GFCCVEGCSA-N 2 2 289.383 0.381 20 0 CCADLP Nc1nc(N2CC[NH+](C[C@@H]3CCCO3)CC2)cc[nH+]1 ZINC001165036413 721915003 /nfs/dbraw/zinc/91/50/03/721915003.db2.gz CIYCPTJDTKVHEE-NSHDSACASA-N 2 2 263.345 0.360 20 0 CCADLP O=C(c1cccc2[nH+]ccn21)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969317408 790407102 /nfs/dbraw/zinc/40/71/02/790407102.db2.gz CNWIAEBGXQSOFW-LLVKDONJSA-N 2 2 274.324 0.131 20 0 CCADLP C[NH+]1CCN(C2CC[NH+](Cc3cccnn3)CC2)CC1 ZINC001139972933 790482914 /nfs/dbraw/zinc/48/29/14/790482914.db2.gz HZLHMRRWQWBOCL-UHFFFAOYSA-N 2 2 275.400 0.688 20 0 CCADLP CCOCC[N@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001266347581 790557214 /nfs/dbraw/zinc/55/72/14/790557214.db2.gz NJDJRBJJPASCLJ-UHFFFAOYSA-N 2 2 268.361 0.047 20 0 CCADLP CCOCC[N@@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC001266347581 790557218 /nfs/dbraw/zinc/55/72/18/790557218.db2.gz NJDJRBJJPASCLJ-UHFFFAOYSA-N 2 2 268.361 0.047 20 0 CCADLP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC001209730330 790681748 /nfs/dbraw/zinc/68/17/48/790681748.db2.gz HDAFTOHSDSETRP-CYBMUJFWSA-N 2 2 262.313 0.569 20 0 CCADLP Nc1cc[nH+]cc1C[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC001209730330 790681753 /nfs/dbraw/zinc/68/17/53/790681753.db2.gz HDAFTOHSDSETRP-CYBMUJFWSA-N 2 2 262.313 0.569 20 0 CCADLP CCOCC[NH2+][C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001266559658 790927926 /nfs/dbraw/zinc/92/79/26/790927926.db2.gz IDJMNRYBROQFFT-LBPRGKRZSA-N 2 2 294.399 0.914 20 0 CCADLP CCc1nocc1C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167355569 790958297 /nfs/dbraw/zinc/95/82/97/790958297.db2.gz PSUSLLPKOKZDAO-UHFFFAOYSA-N 2 2 291.355 0.799 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000723881704 791308827 /nfs/dbraw/zinc/30/88/27/791308827.db2.gz CYMRAGUYWFXQBH-QWRGUYRKSA-N 2 2 262.419 0.787 20 0 CCADLP COCCC[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001266635059 791065538 /nfs/dbraw/zinc/06/55/38/791065538.db2.gz QNFHHFGOEOEJOO-HAQNSBGRSA-N 2 2 280.372 0.534 20 0 CCADLP COCCC[NH2+]CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001167429612 791066246 /nfs/dbraw/zinc/06/62/46/791066246.db2.gz VODAVZSPKWKBIG-ZDUSSCGKSA-N 2 2 282.388 0.967 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCOCC[N@@H+](C)C(C)C ZINC001277535236 805816038 /nfs/dbraw/zinc/81/60/38/805816038.db2.gz BCHVZNCQRMZLTH-UHFFFAOYSA-N 2 2 282.388 0.734 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCOCC[N@H+](C)C(C)C ZINC001277535236 805816046 /nfs/dbraw/zinc/81/60/46/805816046.db2.gz BCHVZNCQRMZLTH-UHFFFAOYSA-N 2 2 282.388 0.734 20 0 CCADLP O=c1[nH]cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(=O)[nH]1 ZINC001231702945 805835846 /nfs/dbraw/zinc/83/58/46/805835846.db2.gz IVEAMILRKYEXNX-UHFFFAOYSA-N 2 2 275.312 0.921 20 0 CCADLP COc1cc[nH+]c(CN2CCOC[C@H]2C[NH+](C)C)c1 ZINC001231968721 805876405 /nfs/dbraw/zinc/87/64/05/805876405.db2.gz WRGHAKTUKLSNGZ-CYBMUJFWSA-N 2 2 265.357 0.853 20 0 CCADLP CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000721802388 805918171 /nfs/dbraw/zinc/91/81/71/805918171.db2.gz FDCMCGBILTTWBL-VXGBXAGGSA-N 2 2 250.346 0.920 20 0 CCADLP CCC[C@@H](O)C[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001245983435 807106397 /nfs/dbraw/zinc/10/63/97/807106397.db2.gz GLBDKBGWFRRYOB-QWHCGFSZSA-N 3 2 255.406 0.611 20 0 CCADLP CN(CC[NH2+]Cc1ccns1)C(=O)CCn1cc[nH+]c1 ZINC001266794632 791241659 /nfs/dbraw/zinc/24/16/59/791241659.db2.gz XHZQYMWFKAAHMX-UHFFFAOYSA-N 2 2 293.396 0.978 20 0 CCADLP C[N@H+](CCN1CC[NH+](C)CC1)Cc1cncc(Cl)n1 ZINC001233450188 806057210 /nfs/dbraw/zinc/05/72/10/806057210.db2.gz JWVWEQNXSTYRPN-UHFFFAOYSA-N 2 2 283.807 0.809 20 0 CCADLP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cncc(Cl)n1 ZINC001233450188 806057218 /nfs/dbraw/zinc/05/72/18/806057218.db2.gz JWVWEQNXSTYRPN-UHFFFAOYSA-N 2 2 283.807 0.809 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CCCF ZINC001266950740 791387477 /nfs/dbraw/zinc/38/74/77/791387477.db2.gz WLEXIDKCKQUDAB-RYUDHWBXSA-N 2 2 282.363 0.899 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CC[C@@H]1OC ZINC000724190593 791449343 /nfs/dbraw/zinc/44/93/43/791449343.db2.gz YUCMIHFDEUGMKW-AVGNSLFASA-N 2 2 260.378 0.035 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CC[C@@H]1OC ZINC000724190593 791449346 /nfs/dbraw/zinc/44/93/46/791449346.db2.gz YUCMIHFDEUGMKW-AVGNSLFASA-N 2 2 260.378 0.035 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CC[C@@H]1OC ZINC000724190593 791449349 /nfs/dbraw/zinc/44/93/49/791449349.db2.gz YUCMIHFDEUGMKW-AVGNSLFASA-N 2 2 260.378 0.035 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CC[C@@H]1OC ZINC000724190593 791449341 /nfs/dbraw/zinc/44/93/41/791449341.db2.gz YUCMIHFDEUGMKW-AVGNSLFASA-N 2 2 260.378 0.035 20 0 CCADLP C[C@H](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CCCO ZINC001267134574 791580179 /nfs/dbraw/zinc/58/01/79/791580179.db2.gz WFIDJGQWJBDLRG-CHWSQXEVSA-N 2 2 294.399 0.312 20 0 CCADLP C[C@@H](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CCCO ZINC001267134576 791580560 /nfs/dbraw/zinc/58/05/60/791580560.db2.gz WFIDJGQWJBDLRG-QWHCGFSZSA-N 2 2 294.399 0.312 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001234010147 806166446 /nfs/dbraw/zinc/16/64/46/806166446.db2.gz BLGYYXYFYZSHEF-LLVKDONJSA-N 2 2 250.346 0.895 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001234012216 806168907 /nfs/dbraw/zinc/16/89/07/806168907.db2.gz OTSRKPJUGKPTQB-RYUDHWBXSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001234012216 806168909 /nfs/dbraw/zinc/16/89/09/806168909.db2.gz OTSRKPJUGKPTQB-RYUDHWBXSA-N 2 2 280.372 0.256 20 0 CCADLP c1cc2c(cc1C[N@@H+]1CCO[C@@H]3C[NH2+]C[C@@H]3C1)CC[NH2+]C2 ZINC001234970814 806322067 /nfs/dbraw/zinc/32/20/67/806322067.db2.gz KVIAEAOFABXSHT-IAGOWNOFSA-N 3 2 287.407 0.753 20 0 CCADLP c1cc2c(cc1C[N@H+]1CCO[C@@H]3C[NH2+]C[C@@H]3C1)CC[NH2+]C2 ZINC001234970814 806322076 /nfs/dbraw/zinc/32/20/76/806322076.db2.gz KVIAEAOFABXSHT-IAGOWNOFSA-N 3 2 287.407 0.753 20 0 CCADLP COc1cccc(C[N@@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1N ZINC001235064883 806367887 /nfs/dbraw/zinc/36/78/87/806367887.db2.gz YQQAGCYOGBSSED-HNNXBMFYSA-N 2 2 276.384 0.415 20 0 CCADLP COc1cccc(C[N@H+]2CCN[C@]3(CC[NH2+]C3)C2)c1N ZINC001235064883 806367893 /nfs/dbraw/zinc/36/78/93/806367893.db2.gz YQQAGCYOGBSSED-HNNXBMFYSA-N 2 2 276.384 0.415 20 0 CCADLP CN(C[C@@H]1CC[N@@H+]1CCF)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001235338258 806410682 /nfs/dbraw/zinc/41/06/82/806410682.db2.gz VXVUNIJDXSHGFA-QWHCGFSZSA-N 2 2 271.380 0.829 20 0 CCADLP CN(C[C@@H]1CC[N@H+]1CCF)C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001235338258 806410686 /nfs/dbraw/zinc/41/06/86/806410686.db2.gz VXVUNIJDXSHGFA-QWHCGFSZSA-N 2 2 271.380 0.829 20 0 CCADLP [NH3+]CC[NH+]1CCC2(CCN(Cc3cccnc3)C2=O)CC1 ZINC001235482264 806430709 /nfs/dbraw/zinc/43/07/09/806430709.db2.gz IOSFZKPZWNNTCW-UHFFFAOYSA-N 2 2 288.395 0.855 20 0 CCADLP F[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCN[C@H](C(F)(F)F)C1 ZINC001246078245 807144529 /nfs/dbraw/zinc/14/45/29/807144529.db2.gz AETDHMHHYNRGDO-JXUBOQSCSA-N 2 2 269.286 0.959 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+]1C[C@@H]2COC[C@]2(CNC(=O)N2CCCC2)C1 ZINC001235539180 806449686 /nfs/dbraw/zinc/44/96/86/806449686.db2.gz UUQNFROEYKANMM-NFAWXSAZSA-N 2 2 296.415 0.087 20 0 CCADLP C[C@@H]([NH3+])C[N@H+]1C[C@@H]2COC[C@]2(CNC(=O)N2CCCC2)C1 ZINC001235539180 806449689 /nfs/dbraw/zinc/44/96/89/806449689.db2.gz UUQNFROEYKANMM-NFAWXSAZSA-N 2 2 296.415 0.087 20 0 CCADLP C[C@H](O)C[NH+]1CC2(CCN2C(=O)[C@H]2CC3CC[NH+]2CC3)C1 ZINC001277955736 806471754 /nfs/dbraw/zinc/47/17/54/806471754.db2.gz UILFXJLWASQKTL-GXTWGEPZSA-N 2 2 293.411 0.138 20 0 CCADLP [NH3+]CC[NH+]1C[C@H]2CN(C(=O)c3cccnc3)C[C@@H]2C1 ZINC001235617376 806474655 /nfs/dbraw/zinc/47/46/55/806474655.db2.gz GMZFSPASFKTCGX-STQMWFEESA-N 2 2 260.341 0.044 20 0 CCADLP COC(=O)[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)[C@@H]1C ZINC001235891675 806513453 /nfs/dbraw/zinc/51/34/53/806513453.db2.gz HLOMJMHUOOWKCP-GRYCIOLGSA-N 2 2 270.373 0.984 20 0 CCADLP COC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)[C@@H]1C ZINC001235891675 806513456 /nfs/dbraw/zinc/51/34/56/806513456.db2.gz HLOMJMHUOOWKCP-GRYCIOLGSA-N 2 2 270.373 0.984 20 0 CCADLP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1cccc(-c3nn[nH]n3)c1)C2 ZINC001235985336 806523047 /nfs/dbraw/zinc/52/30/47/806523047.db2.gz CATMIZXISHDOPU-OCCSQVGLSA-N 2 2 270.340 0.790 20 0 CCADLP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1cccc(-c3nn[nH]n3)c1)C2 ZINC001235985336 806523052 /nfs/dbraw/zinc/52/30/52/806523052.db2.gz CATMIZXISHDOPU-OCCSQVGLSA-N 2 2 270.340 0.790 20 0 CCADLP CC(C)n1cc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cn1 ZINC001235993447 806523975 /nfs/dbraw/zinc/52/39/75/806523975.db2.gz PKAQDODVOGWYCU-PBWFPOADSA-N 2 2 264.373 0.870 20 0 CCADLP CC(C)n1cc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cn1 ZINC001235993447 806523988 /nfs/dbraw/zinc/52/39/88/806523988.db2.gz PKAQDODVOGWYCU-PBWFPOADSA-N 2 2 264.373 0.870 20 0 CCADLP CCSc1ncc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cn1 ZINC001235995822 806525704 /nfs/dbraw/zinc/52/57/04/806525704.db2.gz VTSBXBSCKATLMY-FUNVUKJBSA-N 2 2 294.424 0.994 20 0 CCADLP CCSc1ncc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cn1 ZINC001235995822 806525707 /nfs/dbraw/zinc/52/57/07/806525707.db2.gz VTSBXBSCKATLMY-FUNVUKJBSA-N 2 2 294.424 0.994 20 0 CCADLP Cc1noc([C@H]2CC[N@H+](C[C@@H]3C[NH2+]C(C)(C)O3)C2)n1 ZINC001236040980 806534138 /nfs/dbraw/zinc/53/41/38/806534138.db2.gz CLPWLUPYRQJYMO-QWRGUYRKSA-N 2 2 266.345 0.892 20 0 CCADLP Cc1noc([C@H]2CC[N@@H+](C[C@@H]3C[NH2+]C(C)(C)O3)C2)n1 ZINC001236040980 806534146 /nfs/dbraw/zinc/53/41/46/806534146.db2.gz CLPWLUPYRQJYMO-QWRGUYRKSA-N 2 2 266.345 0.892 20 0 CCADLP COC(=O)[C@@H]1C[NH2+]CCN1Cc1ccc2[nH+]ccn2c1 ZINC001236055670 806537154 /nfs/dbraw/zinc/53/71/54/806537154.db2.gz WJLUJZNGJANZCW-LBPRGKRZSA-N 2 2 274.324 0.281 20 0 CCADLP CS(=O)(=O)Nc1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC001236250747 806557128 /nfs/dbraw/zinc/55/71/28/806557128.db2.gz LSBUAFGTWSJNKB-CYBMUJFWSA-N 2 2 283.397 0.981 20 0 CCADLP CS(=O)(=O)Nc1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC001236250747 806557134 /nfs/dbraw/zinc/55/71/34/806557134.db2.gz LSBUAFGTWSJNKB-CYBMUJFWSA-N 2 2 283.397 0.981 20 0 CCADLP COC(=O)[C@H]1CN(Cc2[nH+]c3ccccn3c2C)C[C@@H]1[NH3+] ZINC001236339257 806570635 /nfs/dbraw/zinc/57/06/35/806570635.db2.gz CXOPZJWXEXPVOT-RYUDHWBXSA-N 2 2 288.351 0.575 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C[C@H]2CCOC(C)(C)C2)C[C@@H]1[NH3+] ZINC001236341499 806571438 /nfs/dbraw/zinc/57/14/38/806571438.db2.gz LFIAPFQBWIKVOB-TUAOUCFPSA-N 2 2 270.373 0.624 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C[C@H]2CCOC(C)(C)C2)C[C@@H]1[NH3+] ZINC001236341499 806571441 /nfs/dbraw/zinc/57/14/41/806571441.db2.gz LFIAPFQBWIKVOB-TUAOUCFPSA-N 2 2 270.373 0.624 20 0 CCADLP COC(=O)[C@H]1C[N@H+](C[C@@H]2C[NH2+]C(C)(C)O2)CC12CC2 ZINC001237206544 806648411 /nfs/dbraw/zinc/64/84/11/806648411.db2.gz WONXZNBOMWLAEA-WDEREUQCSA-N 2 2 268.357 0.596 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](C[C@@H]2C[NH2+]C(C)(C)O2)CC12CC2 ZINC001237206544 806648413 /nfs/dbraw/zinc/64/84/13/806648413.db2.gz WONXZNBOMWLAEA-WDEREUQCSA-N 2 2 268.357 0.596 20 0 CCADLP [NH3+][C@@H]1NC(CN2CC[C@H]3[NH2+]CCC[C@@H]3C2)=CS1 ZINC001237379822 806657179 /nfs/dbraw/zinc/65/71/79/806657179.db2.gz DBLJGRGVFIMBHA-YUSALJHKSA-N 2 2 254.403 0.480 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)NCCn1cc[nH+]c1)C2 ZINC001120566449 798868346 /nfs/dbraw/zinc/86/83/46/798868346.db2.gz BMCPJOLSKLMFRX-TUAOUCFPSA-N 2 2 263.345 0.404 20 0 CCADLP COCCCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001120571036 798870661 /nfs/dbraw/zinc/87/06/61/798870661.db2.gz XIGSLIZXEHXQIW-UHFFFAOYSA-N 2 2 272.393 0.135 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1[NH2+]CC12CCCC2 ZINC001121829106 799074105 /nfs/dbraw/zinc/07/41/05/799074105.db2.gz JSURFSZRKNZKLH-VXGBXAGGSA-N 2 2 262.357 0.920 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C[C@H]([NH3+])C(F)F ZINC001122005809 799120530 /nfs/dbraw/zinc/12/05/30/799120530.db2.gz VAOSBMLWXLPWFS-FKTZTGRPSA-N 2 2 261.316 0.568 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C[C@H]([NH3+])C(F)F ZINC001122005809 799120531 /nfs/dbraw/zinc/12/05/31/799120531.db2.gz VAOSBMLWXLPWFS-FKTZTGRPSA-N 2 2 261.316 0.568 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)CC1CC([NH3+])C1 ZINC001122616262 799275242 /nfs/dbraw/zinc/27/52/42/799275242.db2.gz YQFOFWOOMLBHST-HIFPTAJRSA-N 2 2 269.389 0.293 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H](CO)[NH2+]CC1=CCCCC1 ZINC001278171489 806739764 /nfs/dbraw/zinc/73/97/64/806739764.db2.gz HPONDGJLQVTUBV-CYBMUJFWSA-N 2 2 292.383 0.519 20 0 CCADLP C[C@H](C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12)n1cc[nH+]c1 ZINC001124108495 799560414 /nfs/dbraw/zinc/56/04/14/799560414.db2.gz BFHVJWLQYHXSOA-FVCCEPFGSA-N 2 2 262.357 0.901 20 0 CCADLP C[C@H](C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12)n1cc[nH+]c1 ZINC001124108495 799560418 /nfs/dbraw/zinc/56/04/18/799560418.db2.gz BFHVJWLQYHXSOA-FVCCEPFGSA-N 2 2 262.357 0.901 20 0 CCADLP Cc1ncncc1C[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001238176122 806768479 /nfs/dbraw/zinc/76/84/79/806768479.db2.gz UGUYNQYACJTKCX-UHFFFAOYSA-N 2 2 277.416 0.854 20 0 CCADLP Cc1cc(C[N@H+]2CCC(=O)N(CC[NH+](C)C)CC2)nn1C ZINC001138830247 799757936 /nfs/dbraw/zinc/75/79/36/799757936.db2.gz AZKLCEGJFFDIMK-UHFFFAOYSA-N 2 2 293.415 0.324 20 0 CCADLP Cc1cc(C[N@@H+]2CCC(=O)N(CC[NH+](C)C)CC2)nn1C ZINC001138830247 799757942 /nfs/dbraw/zinc/75/79/42/799757942.db2.gz AZKLCEGJFFDIMK-UHFFFAOYSA-N 2 2 293.415 0.324 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](Cc2cccnn2)CCC1=O ZINC001139971050 799858621 /nfs/dbraw/zinc/85/86/21/799858621.db2.gz AMMDMRZYRNJSNN-UHFFFAOYSA-N 2 2 277.372 0.073 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](Cc2cccnn2)CCC1=O ZINC001139971050 799858627 /nfs/dbraw/zinc/85/86/27/799858627.db2.gz AMMDMRZYRNJSNN-UHFFFAOYSA-N 2 2 277.372 0.073 20 0 CCADLP CCC[NH+](CCC)CCN1CC[NH+](CC(=O)N(C)C)CC1 ZINC001203018709 799895923 /nfs/dbraw/zinc/89/59/23/799895923.db2.gz QLGLJKAAHMRSDR-UHFFFAOYSA-N 2 2 298.475 0.814 20 0 CCADLP CC[C@@H](C[NH2+]C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1)OC ZINC001203052417 799925361 /nfs/dbraw/zinc/92/53/61/799925361.db2.gz OOEBVZBOGISMDU-ZDUSSCGKSA-N 2 2 294.399 0.958 20 0 CCADLP Cc1ncc(CO)c(C[N@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1O ZINC001140870010 799952518 /nfs/dbraw/zinc/95/25/18/799952518.db2.gz CURWKNJKBHPFIJ-CZUORRHYSA-N 2 2 291.395 0.971 20 0 CCADLP Cc1ncc(CO)c(C[N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)c1O ZINC001140870010 799952522 /nfs/dbraw/zinc/95/25/22/799952522.db2.gz CURWKNJKBHPFIJ-CZUORRHYSA-N 2 2 291.395 0.971 20 0 CCADLP C[NH+]1CCN(C2C[NH+](Cc3cccc4n[nH]cc43)C2)CC1 ZINC001143098552 800193608 /nfs/dbraw/zinc/19/36/08/800193608.db2.gz DVUOSCMJVGDDHV-UHFFFAOYSA-N 2 2 285.395 0.995 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]CC[C@@H]1CCCO1 ZINC001149564845 800276803 /nfs/dbraw/zinc/27/68/03/800276803.db2.gz MBJUFCDQXPEOFF-AWEZNQCLSA-N 2 2 294.399 0.628 20 0 CCADLP CC[C@H](C(=O)NC[C@@H]1C[N@H+](CCF)CCCO1)[NH+](C)C ZINC001149888915 800305720 /nfs/dbraw/zinc/30/57/20/800305720.db2.gz MIWFRUDIIMCXGC-CHWSQXEVSA-N 2 2 289.395 0.503 20 0 CCADLP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CCF)CCCO1)[NH+](C)C ZINC001149888915 800305726 /nfs/dbraw/zinc/30/57/26/800305726.db2.gz MIWFRUDIIMCXGC-CHWSQXEVSA-N 2 2 289.395 0.503 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[NH2+]2)CN1 ZINC001246169790 807174133 /nfs/dbraw/zinc/17/41/33/807174133.db2.gz OCCPWGUMPPIAMA-AGIUHOORSA-N 2 2 269.389 0.402 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NCC[NH2+]Cc1ccon1 ZINC001151121209 800400356 /nfs/dbraw/zinc/40/03/56/800400356.db2.gz DHMVCNNEYAYHSI-UHFFFAOYSA-N 2 2 263.301 0.086 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2nccs2)C1 ZINC001151749129 800454364 /nfs/dbraw/zinc/45/43/64/800454364.db2.gz PLVWECZKYBYAER-NSHDSACASA-N 2 2 298.412 0.070 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NCC[NH2+]Cc2nccs2)C1 ZINC001151749129 800454370 /nfs/dbraw/zinc/45/43/70/800454370.db2.gz PLVWECZKYBYAER-NSHDSACASA-N 2 2 298.412 0.070 20 0 CCADLP CCc1nnc([C@@H](C)[NH2+]CCNC(=O)C[N@H+](C)C(C)C)o1 ZINC001152432100 800520890 /nfs/dbraw/zinc/52/08/90/800520890.db2.gz FSYOAUMLIWDACQ-LLVKDONJSA-N 2 2 297.403 0.739 20 0 CCADLP CCc1nnc([C@@H](C)[NH2+]CCNC(=O)C[N@@H+](C)C(C)C)o1 ZINC001152432100 800520896 /nfs/dbraw/zinc/52/08/96/800520896.db2.gz FSYOAUMLIWDACQ-LLVKDONJSA-N 2 2 297.403 0.739 20 0 CCADLP CCOCC[NH2+]CCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001152617925 800542751 /nfs/dbraw/zinc/54/27/51/800542751.db2.gz FXPWNVUJOQJYQF-CQSZACIVSA-N 2 2 294.399 0.427 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]Cc1nccn1C(F)F ZINC001153487531 800633739 /nfs/dbraw/zinc/63/37/39/800633739.db2.gz CHHXNMABZURXIC-UHFFFAOYSA-N 2 2 298.297 0.381 20 0 CCADLP CCn1ccc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2)n1 ZINC001153495691 800634925 /nfs/dbraw/zinc/63/49/25/800634925.db2.gz NOYOUAZBAWECHL-UHFFFAOYSA-N 2 2 276.344 0.006 20 0 CCADLP Cc1oncc1C[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153496269 800634940 /nfs/dbraw/zinc/63/49/40/800634940.db2.gz XYTPNZNTYJPBPI-UHFFFAOYSA-N 2 2 263.301 0.086 20 0 CCADLP COCc1cc[nH+]c(NCc2nnc3n2CCC[NH2+]C3)c1 ZINC001155425511 800973298 /nfs/dbraw/zinc/97/32/98/800973298.db2.gz ZPOBYYBXVCXSOL-UHFFFAOYSA-N 2 2 288.355 0.925 20 0 CCADLP Cc1nc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)c2c([nH+]1)CCC2 ZINC001155576385 801013991 /nfs/dbraw/zinc/01/39/91/801013991.db2.gz QJMLHGLKASTEOI-SMDDNHRTSA-N 2 2 273.340 0.264 20 0 CCADLP C[C@@H](C[NH+](C)C)Nc1cc(N2CCC[C@H]2C(N)=O)[nH+]cn1 ZINC001155922669 801077840 /nfs/dbraw/zinc/07/78/40/801077840.db2.gz YDPNVWDZPMNYPI-QWRGUYRKSA-N 2 2 292.387 0.293 20 0 CCADLP COC(=O)c1cc2c(NC(=[NH2+])SCC[NH3+])[nH]cnc-2n1 ZINC001157129307 801309391 /nfs/dbraw/zinc/30/93/91/801309391.db2.gz XFXHWNNIHAWSED-UHFFFAOYSA-N 2 2 294.340 0.735 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cc(C(N)=O)cc(Cl)n2)CC1 ZINC001157914854 801519097 /nfs/dbraw/zinc/51/90/97/801519097.db2.gz NGOLNHIIEPQBEV-UHFFFAOYSA-N 2 2 296.762 0.428 20 0 CCADLP Cc1nc(C)c(C)c(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001157916218 801521368 /nfs/dbraw/zinc/52/13/68/801521368.db2.gz OQXFOZCOVCSIRK-UHFFFAOYSA-N 2 2 262.361 0.996 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC[C@](C)(F)[C@@H](F)C1 ZINC001157922524 801523018 /nfs/dbraw/zinc/52/30/18/801523018.db2.gz QCQXLJJWFJEPHD-GVXVVHGQSA-N 2 2 286.326 0.589 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CC(C)(C)C[C@@]1(C)CO ZINC001157926805 801523991 /nfs/dbraw/zinc/52/39/91/801523991.db2.gz SIDDLMSORVONEG-WFASDCNBSA-N 2 2 294.399 0.299 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2CCNCC(F)(F)C2)cc1 ZINC001157944115 801535675 /nfs/dbraw/zinc/53/56/75/801535675.db2.gz HZMFJTCGXROGTO-GFCCVEGCSA-N 2 2 298.337 0.326 20 0 CCADLP CC(=O)OC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC001157960920 801540636 /nfs/dbraw/zinc/54/06/36/801540636.db2.gz SVLDUBUNUVSHAV-UONOGXRCSA-N 2 2 291.351 0.050 20 0 CCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])c1ccsc1 ZINC001158000766 801552209 /nfs/dbraw/zinc/55/22/09/801552209.db2.gz ZOVZMKLYHBCBIR-QWRGUYRKSA-N 2 2 297.380 0.111 20 0 CCADLP COCc1ccnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1 ZINC001158204256 801592712 /nfs/dbraw/zinc/59/27/12/801592712.db2.gz PHUPVQMYWWYSON-LLVKDONJSA-N 2 2 262.313 0.276 20 0 CCADLP Cc1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc2[nH]ccc21 ZINC001158206738 801594025 /nfs/dbraw/zinc/59/40/25/801594025.db2.gz ZEKYEIOOOZGVNY-SNVBAGLBSA-N 2 2 271.324 0.919 20 0 CCADLP Nc1cc(Cl)cnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158206367 801594210 /nfs/dbraw/zinc/59/42/10/801594210.db2.gz KYXJNWPRFKLTSB-MRVPVSSYSA-N 2 2 267.720 0.365 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc(C2CC2)nn1 ZINC001158206399 801594469 /nfs/dbraw/zinc/59/44/69/801594469.db2.gz MTGAQLXODYXLED-SNVBAGLBSA-N 2 2 259.313 0.402 20 0 CCADLP Nc1cc[nH+]c(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)c1 ZINC001158258078 801607161 /nfs/dbraw/zinc/60/71/61/801607161.db2.gz PTNXEZBSYVIQEX-LBPRGKRZSA-N 3 2 261.373 0.666 20 0 CCADLP Nc1cc[nH+]c(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)c1 ZINC001158258078 801607163 /nfs/dbraw/zinc/60/71/63/801607163.db2.gz PTNXEZBSYVIQEX-LBPRGKRZSA-N 3 2 261.373 0.666 20 0 CCADLP COc1ncnc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)c1C ZINC001158262036 801609147 /nfs/dbraw/zinc/60/91/47/801609147.db2.gz QIVKLHZAJBXTGR-LBPRGKRZSA-N 2 2 291.399 0.795 20 0 CCADLP COc1ncnc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)c1C ZINC001158262036 801609151 /nfs/dbraw/zinc/60/91/51/801609151.db2.gz QIVKLHZAJBXTGR-LBPRGKRZSA-N 2 2 291.399 0.795 20 0 CCADLP Cc1c[nH+]c(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)cc1N ZINC001158271294 801610781 /nfs/dbraw/zinc/61/07/81/801610781.db2.gz ZMRJKJDGWZZTDX-GFCCVEGCSA-N 3 2 275.400 0.974 20 0 CCADLP Cc1c[nH+]c(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)cc1N ZINC001158271294 801610784 /nfs/dbraw/zinc/61/07/84/801610784.db2.gz ZMRJKJDGWZZTDX-GFCCVEGCSA-N 3 2 275.400 0.974 20 0 CCADLP C[C@]1(C(=O)N2CCC[C@H]3[NH2+]C[C@@H]32)CC(F)(F)C[NH2+]1 ZINC001158423812 801643781 /nfs/dbraw/zinc/64/37/81/801643781.db2.gz PKMCQOIDMONZCO-WCABBAIRSA-N 2 2 259.300 0.337 20 0 CCADLP C[C@H]1C[C@H]2CN(C(=O)C3([NH3+])CC[NH2+]CC3)CC[C@H]2O1 ZINC001158864025 801717570 /nfs/dbraw/zinc/71/75/70/801717570.db2.gz VVOOBCSJXCHOTN-SDDRHHMPSA-N 2 2 267.373 0.093 20 0 CCADLP c1cc(N2CC[NH2+]C3(CC3)C2)nc(N2CCOCC2)[nH+]1 ZINC001158938068 801726820 /nfs/dbraw/zinc/72/68/20/801726820.db2.gz MSHFKCGXXMVFRX-UHFFFAOYSA-N 2 2 275.356 0.255 20 0 CCADLP CNC(=O)[C@H](C)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001158988643 801733847 /nfs/dbraw/zinc/73/38/47/801733847.db2.gz VDMPOPKHJRQVIB-JTQLQIEISA-N 2 2 263.345 0.038 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@@H]1Nc1cc(N2CCCCC2)[nH+]cn1 ZINC001159682197 801850496 /nfs/dbraw/zinc/85/04/96/801850496.db2.gz RCKFPYOBGCOVOZ-RYUDHWBXSA-N 2 2 277.372 0.459 20 0 CCADLP [NH3+]C1CCN(c2cccc(N[C@@H]3C[NH2+]C[C@H]3CO)[nH+]2)CC1 ZINC001159680485 801850624 /nfs/dbraw/zinc/85/06/24/801850624.db2.gz JCVBVYCQLSBIKD-WCQYABFASA-N 3 2 291.399 0.001 20 0 CCADLP CC(=O)N1CC(Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC001159934092 801892800 /nfs/dbraw/zinc/89/28/00/801892800.db2.gz JDXDZZCCRLMRQU-UHFFFAOYSA-N 2 2 275.356 0.134 20 0 CCADLP COc1nccnc1N[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160509159 801953607 /nfs/dbraw/zinc/95/36/07/801953607.db2.gz OHFYAMYDAMQBDN-CYBMUJFWSA-N 2 2 263.345 0.320 20 0 CCADLP Cc1ncc(F)c(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)n1 ZINC001160511184 801955494 /nfs/dbraw/zinc/95/54/94/801955494.db2.gz MAVQJABWEWNLOW-ZDUSSCGKSA-N 2 2 265.336 0.759 20 0 CCADLP CCOc1nccnc1N[C@]1(C[NH3+])C[NH+]2CCC1CC2 ZINC001160517193 801959396 /nfs/dbraw/zinc/95/93/96/801959396.db2.gz BTIRMHKOIQGSPZ-CQSZACIVSA-N 2 2 277.372 0.710 20 0 CCADLP [NH3+]C1(C(=O)N2CCO[C@@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC001160530265 801962948 /nfs/dbraw/zinc/96/29/48/801962948.db2.gz GJVCGTFLDXWOAA-CQSZACIVSA-N 2 2 289.379 0.667 20 0 CCADLP CN(Cc1cccc2cccnc21)C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001160535338 801964599 /nfs/dbraw/zinc/96/45/99/801964599.db2.gz QDZIQWXADZQPHS-KGLIPLIRSA-N 2 2 284.363 0.882 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)N2CCC[C@H](CCO)C2)cc1 ZINC001160610776 801981493 /nfs/dbraw/zinc/98/14/93/801981493.db2.gz LVXSWCKZKIZOOV-DOMZBBRYSA-N 2 2 291.395 0.880 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)N2CCC[C@@H]2c2nccs2)C1 ZINC001160685788 801999540 /nfs/dbraw/zinc/99/95/40/801999540.db2.gz FVNHDIVFQCPVRT-KXUCPTDWSA-N 2 2 266.370 0.496 20 0 CCADLP COC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160909557 802046398 /nfs/dbraw/zinc/04/63/98/802046398.db2.gz YVTMREVLQRDQOM-RKOXZLIFSA-N 2 2 279.384 0.106 20 0 CCADLP COC[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001161215024 802109529 /nfs/dbraw/zinc/10/95/29/802109529.db2.gz KVCAODAMERBWPZ-CHWSQXEVSA-N 2 2 294.399 0.576 20 0 CCADLP O=C(NCCC[NH2+]CCF)[C@@H]1CCn2cc[nH+]c2C1 ZINC001161309985 802123782 /nfs/dbraw/zinc/12/37/82/802123782.db2.gz QZIBOODYSXEKBP-LLVKDONJSA-N 2 2 268.336 0.511 20 0 CCADLP O=C(NCCC[NH2+]CC1CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001161316872 802125192 /nfs/dbraw/zinc/12/51/92/802125192.db2.gz YQLDNWULWRSCKM-ZDUSSCGKSA-N 2 2 276.384 0.951 20 0 CCADLP CCN(C(=O)[C@H]1C[NH2+]CC(F)(F)C1)[C@@H]1CCC[NH2+]C1 ZINC001161329881 802127899 /nfs/dbraw/zinc/12/78/99/802127899.db2.gz DIBHZLDQJFJVFW-GHMZBOCLSA-N 2 2 275.343 0.832 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C(=O)N2CC[C@H]([NH+]3CCC([NH3+])CC3)C2)C1 ZINC001161379352 802141540 /nfs/dbraw/zinc/14/15/40/802141540.db2.gz OFJIOPPDZCMYTC-SNPRPXQTSA-N 3 2 294.443 0.399 20 0 CCADLP C[C@@H](O)C[N@H+]1CC=C(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001161555132 802179066 /nfs/dbraw/zinc/17/90/66/802179066.db2.gz XKXMETOXMSEKKU-GFCCVEGCSA-N 2 2 292.383 0.471 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC=C(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001161555132 802179069 /nfs/dbraw/zinc/17/90/69/802179069.db2.gz XKXMETOXMSEKKU-GFCCVEGCSA-N 2 2 292.383 0.471 20 0 CCADLP Nc1cn2ccc(-c3cnn(C4C[NH2+]C4)c3)cc2[nH+]1 ZINC001241602838 806974267 /nfs/dbraw/zinc/97/42/67/806974267.db2.gz LJTSEZCAYCYAIN-UHFFFAOYSA-N 2 2 254.297 0.924 20 0 CCADLP C[NH+](C)Cc1cccc(NC[C@@H]2C[N@H+](C)CCO2)n1 ZINC001162683997 802391090 /nfs/dbraw/zinc/39/10/90/802391090.db2.gz QFPOYVOYUGBZPK-CYBMUJFWSA-N 2 2 264.373 0.886 20 0 CCADLP C[NH+](C)Cc1cccc(NC[C@@H]2C[N@@H+](C)CCO2)n1 ZINC001162683997 802391099 /nfs/dbraw/zinc/39/10/99/802391099.db2.gz QFPOYVOYUGBZPK-CYBMUJFWSA-N 2 2 264.373 0.886 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNc2cc(O[C@H]3CCOC3)cc[nH+]2)C1 ZINC001162693154 802400737 /nfs/dbraw/zinc/40/07/37/802400737.db2.gz BJVCKCBIVINAAV-KBPBESRZSA-N 2 2 293.367 0.992 20 0 CCADLP C[N@H+]1CCO[C@@H](CNc2cc(O[C@H]3CCOC3)cc[nH+]2)C1 ZINC001162693154 802400742 /nfs/dbraw/zinc/40/07/42/802400742.db2.gz BJVCKCBIVINAAV-KBPBESRZSA-N 2 2 293.367 0.992 20 0 CCADLP Cc1nc(-n2cncn2)cc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)[nH+]1 ZINC001162800497 802422385 /nfs/dbraw/zinc/42/23/85/802422385.db2.gz BFUCIQBXWMUWNF-QJPTWQEYSA-N 2 2 283.339 0.552 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1ncc2c(n1)C[NH2+]C2 ZINC001162850029 802427978 /nfs/dbraw/zinc/42/79/78/802427978.db2.gz QXPPPYUOWYSJPK-VIFPVBQESA-N 2 2 279.344 0.161 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1ncc2c(n1)CC[NH2+]C2 ZINC001162850447 802428892 /nfs/dbraw/zinc/42/88/92/802428892.db2.gz XVPXZVNMCWVLMP-JTQLQIEISA-N 2 2 293.371 0.203 20 0 CCADLP COC(=O)c1cc2[nH+]c[nH]c2c(N[C@@H]2COC[C@@H]2[NH3+])c1 ZINC001162920948 802437662 /nfs/dbraw/zinc/43/76/62/802437662.db2.gz GKLKKBXFLIOKPJ-GZMMTYOYSA-N 2 2 276.296 0.488 20 0 CCADLP COC(=O)c1[nH+]ccc(NC[C@]23C[NH2+]C[C@H]2COC3)c1C ZINC001163159173 802497604 /nfs/dbraw/zinc/49/76/04/802497604.db2.gz WBNWERBUPCSDQF-NHYWBVRUSA-N 2 2 291.351 0.246 20 0 CCADLP O=C1C[C@H]2[NH2+]CC[C@]2(Nc2cc(N3CCCC3)[nH+]cn2)N1 ZINC001163239163 802512293 /nfs/dbraw/zinc/51/22/93/802512293.db2.gz RICAFIXJQDKEMZ-YGRLFVJLSA-N 2 2 288.355 0.067 20 0 CCADLP O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ccc(Cn3cc[nH+]c3)cc2)N1 ZINC001163252218 802519337 /nfs/dbraw/zinc/51/93/37/802519337.db2.gz UPWKKRYLNUJXSN-ZBFHGGJFSA-N 2 2 297.362 0.921 20 0 CCADLP Cc1nc(C[NH2+]CCCNC(=O)CCn2cc[nH+]c2)co1 ZINC001163594298 802574620 /nfs/dbraw/zinc/57/46/20/802574620.db2.gz VKMSIJWERHTZHA-UHFFFAOYSA-N 2 2 291.355 0.866 20 0 CCADLP Cc1nc(-n2cncn2)cc(N(C)CCC[NH+](C)C)[nH+]1 ZINC001163600495 802575926 /nfs/dbraw/zinc/57/59/26/802575926.db2.gz LYGNBONRNNDJJR-UHFFFAOYSA-N 2 2 275.360 0.754 20 0 CCADLP Cc1c[nH+]c(N2CCC(C[NH3+])CC2)nc1N1CC[C@@H]([NH3+])C1 ZINC001164280244 802704189 /nfs/dbraw/zinc/70/41/89/802704189.db2.gz ZAGYRNDMMXPVGF-CYBMUJFWSA-N 3 2 290.415 0.498 20 0 CCADLP CN(c1ccn2cc[nH+]c2c1)S(=O)(=O)CC[NH3+] ZINC001164296325 802710392 /nfs/dbraw/zinc/71/03/92/802710392.db2.gz FOASFZGCAZPSHZ-UHFFFAOYSA-N 2 2 254.315 0.059 20 0 CCADLP C[C@H](O)C[NH2+]CC1(CCNC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001164334248 802726128 /nfs/dbraw/zinc/72/61/28/802726128.db2.gz BLGSZMWYKNKCKR-LBPRGKRZSA-N 2 2 294.399 0.599 20 0 CCADLP CN(C[C@H]1CC[NH2+]C1)c1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001165124301 802786931 /nfs/dbraw/zinc/78/69/31/802786931.db2.gz HWEHFTZIKVVDFK-AWEZNQCLSA-N 3 2 289.427 0.879 20 0 CCADLP C[NH+]1C[C@H]2CN(c3cc(N4CCOCC4)[nH+]cn3)C[C@@H]2C1 ZINC001165145109 802787887 /nfs/dbraw/zinc/78/78/87/802787887.db2.gz KRCRPEMVDWSZMD-STQMWFEESA-N 2 2 289.383 0.311 20 0 CCADLP COc1cc(C)c[nH+]c1N1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001165271520 802810081 /nfs/dbraw/zinc/81/00/81/802810081.db2.gz YQOSWVDKZDPGSJ-AAEUAGOBSA-N 2 2 263.341 0.966 20 0 CCADLP Nc1[nH+]c(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)ccc1Cl ZINC001165274822 802811246 /nfs/dbraw/zinc/81/12/46/802811246.db2.gz IXLRQWFSIDQVNY-UWVGGRQHSA-N 2 2 268.748 0.884 20 0 CCADLP Cc1[nH+]cc2n1CCN(c1ncc3c(n1)C[NH2+]C3)C2 ZINC001165385948 802832191 /nfs/dbraw/zinc/83/21/91/802832191.db2.gz UPCVJRCRZMSCFF-UHFFFAOYSA-N 2 2 256.313 0.605 20 0 CCADLP C[C@H](O)C[NH2+]CCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001166408255 802906468 /nfs/dbraw/zinc/90/64/68/802906468.db2.gz MZSBLIYHIZOVBP-WDEREUQCSA-N 2 2 280.372 0.306 20 0 CCADLP CCc1nc(C[NH2+]CCCNC(=O)[C@H](CC)[NH+](C)C)no1 ZINC001166858561 802971138 /nfs/dbraw/zinc/97/11/38/802971138.db2.gz WKKOGKTXWBWMKX-NSHDSACASA-N 2 2 297.403 0.568 20 0 CCADLP [NH3+][C@@H]1CCN(c2[nH+]ccc3c2NC(=O)CO3)CC1(F)F ZINC001166962743 802998289 /nfs/dbraw/zinc/99/82/89/802998289.db2.gz XMAQZVXXAIIQJP-MRVPVSSYSA-N 2 2 284.266 0.585 20 0 CCADLP COc1ccc(CC[N@H+](CC[NH3+])C[C@@H](C)O)cc1 ZINC001204896938 803108774 /nfs/dbraw/zinc/10/87/74/803108774.db2.gz SOQAZBGDIZDQHX-GFCCVEGCSA-N 2 2 252.358 0.879 20 0 CCADLP COc1ccc(CC[N@@H+](CC[NH3+])C[C@@H](C)O)cc1 ZINC001204896938 803108777 /nfs/dbraw/zinc/10/87/77/803108777.db2.gz SOQAZBGDIZDQHX-GFCCVEGCSA-N 2 2 252.358 0.879 20 0 CCADLP COC(=O)c1cnc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)cn1 ZINC001205273879 803132501 /nfs/dbraw/zinc/13/25/01/803132501.db2.gz QUGBWGLKAORQMI-CQSZACIVSA-N 2 2 278.356 0.967 20 0 CCADLP COC(=O)c1cnc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cn1 ZINC001205273879 803132504 /nfs/dbraw/zinc/13/25/04/803132504.db2.gz QUGBWGLKAORQMI-CQSZACIVSA-N 2 2 278.356 0.967 20 0 CCADLP COCC[NH2+]CC1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001205804877 803175596 /nfs/dbraw/zinc/17/55/96/803175596.db2.gz IFVYXNWJQHJPLP-UHFFFAOYSA-N 2 2 294.399 0.748 20 0 CCADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001205947046 803189190 /nfs/dbraw/zinc/18/91/90/803189190.db2.gz VYTOARWSLPGNKZ-CHWSQXEVSA-N 2 2 264.325 0.367 20 0 CCADLP COC(=O)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001205947046 803189194 /nfs/dbraw/zinc/18/91/94/803189194.db2.gz VYTOARWSLPGNKZ-CHWSQXEVSA-N 2 2 264.325 0.367 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](CC2C(=O)N=CNC2=O)CC[C@@H]1F ZINC001206176343 803212543 /nfs/dbraw/zinc/21/25/43/803212543.db2.gz ZFVWJMDBZNPYCI-DTWKUNHWSA-N 2 2 256.281 0.149 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](CC2C(=O)N=CNC2=O)CC[C@@H]1F ZINC001206176343 803212548 /nfs/dbraw/zinc/21/25/48/803212548.db2.gz ZFVWJMDBZNPYCI-DTWKUNHWSA-N 2 2 256.281 0.149 20 0 CCADLP [NH3+]C[C@@]1(F)CCCCN(CC2=CS[C@@H]([NH3+])N2)C1 ZINC001206334942 803230913 /nfs/dbraw/zinc/23/09/13/803230913.db2.gz BAUVMQFIUWZFAT-QWRGUYRKSA-N 2 2 260.382 0.559 20 0 CCADLP [NH3+]C[C@]1(F)CCCC[N@H+](CC[C@@H]2C[NH2+]CCO2)C1 ZINC001206338203 803230338 /nfs/dbraw/zinc/23/03/38/803230338.db2.gz YFNNQCJCLNERHB-CHWSQXEVSA-N 3 2 259.369 0.518 20 0 CCADLP [NH3+]C[C@]1(F)CCCC[N@@H+](CC[C@@H]2C[NH2+]CCO2)C1 ZINC001206338203 803230344 /nfs/dbraw/zinc/23/03/44/803230344.db2.gz YFNNQCJCLNERHB-CHWSQXEVSA-N 3 2 259.369 0.518 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2cnc(-c3cccnc3)o2)C[C@H]1O ZINC001206481639 803252071 /nfs/dbraw/zinc/25/20/71/803252071.db2.gz WJHLZGXMXAXKNN-WCQYABFASA-N 2 2 274.324 0.488 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2cnc(-c3cccnc3)o2)C[C@H]1O ZINC001206481639 803252075 /nfs/dbraw/zinc/25/20/75/803252075.db2.gz WJHLZGXMXAXKNN-WCQYABFASA-N 2 2 274.324 0.488 20 0 CCADLP COC(=O)c1cc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)ccc1OC ZINC001206531017 803261805 /nfs/dbraw/zinc/26/18/05/803261805.db2.gz ZSLWKMYWTKKZFQ-AAEUAGOBSA-N 2 2 294.351 0.233 20 0 CCADLP COC(=O)c1cc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)ccc1OC ZINC001206531017 803261810 /nfs/dbraw/zinc/26/18/10/803261810.db2.gz ZSLWKMYWTKKZFQ-AAEUAGOBSA-N 2 2 294.351 0.233 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001270612105 813836495 /nfs/dbraw/zinc/83/64/95/813836495.db2.gz OVNITMQIBMIOPQ-NWDGAFQWSA-N 2 2 268.361 0.260 20 0 CCADLP COC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001207923891 803466405 /nfs/dbraw/zinc/46/64/05/803466405.db2.gz GAXFCTDEIQXALS-CHWSQXEVSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001208849139 803549492 /nfs/dbraw/zinc/54/94/92/803549492.db2.gz QVLRNZIOOFQIRS-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP C#CCNC(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090003620 803550702 /nfs/dbraw/zinc/55/07/02/803550702.db2.gz ZBHHLKIDJKPKRH-ZDUSSCGKSA-N 2 2 274.368 0.424 20 0 CCADLP C#CCNC(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090003620 803550703 /nfs/dbraw/zinc/55/07/03/803550703.db2.gz ZBHHLKIDJKPKRH-ZDUSSCGKSA-N 2 2 274.368 0.424 20 0 CCADLP COCC[N@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001209211707 803581552 /nfs/dbraw/zinc/58/15/52/803581552.db2.gz XAVGEFLTAOBOKX-HUUCEWRRSA-N 2 2 278.400 0.820 20 0 CCADLP COCC[N@@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001209211707 803581558 /nfs/dbraw/zinc/58/15/58/803581558.db2.gz XAVGEFLTAOBOKX-HUUCEWRRSA-N 2 2 278.400 0.820 20 0 CCADLP COCC[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001209211707 803581563 /nfs/dbraw/zinc/58/15/63/803581563.db2.gz XAVGEFLTAOBOKX-HUUCEWRRSA-N 2 2 278.400 0.820 20 0 CCADLP COCC[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001209211707 803581567 /nfs/dbraw/zinc/58/15/67/803581567.db2.gz XAVGEFLTAOBOKX-HUUCEWRRSA-N 2 2 278.400 0.820 20 0 CCADLP CCC(=O)N[C@@H]1CCC[N@H+](Cc2c[nH+]ccc2N)C1 ZINC001209731974 803626527 /nfs/dbraw/zinc/62/65/27/803626527.db2.gz GKNLPZLNNZTXNB-GFCCVEGCSA-N 2 2 262.357 0.985 20 0 CCADLP CCC(=O)N[C@@H]1CCC[N@@H+](Cc2c[nH+]ccc2N)C1 ZINC001209731974 803626530 /nfs/dbraw/zinc/62/65/30/803626530.db2.gz GKNLPZLNNZTXNB-GFCCVEGCSA-N 2 2 262.357 0.985 20 0 CCADLP Nc1cc[nH+]cc1C[N@@H+]1CC[C@@H](Oc2cnccn2)C1 ZINC001209733710 803627720 /nfs/dbraw/zinc/62/77/20/803627720.db2.gz SZKJLPQVDYNEMX-GFCCVEGCSA-N 2 2 271.324 0.937 20 0 CCADLP Nc1cc[nH+]cc1C[N@H+]1CC[C@@H](Oc2cnccn2)C1 ZINC001209733710 803627725 /nfs/dbraw/zinc/62/77/25/803627725.db2.gz SZKJLPQVDYNEMX-GFCCVEGCSA-N 2 2 271.324 0.937 20 0 CCADLP C[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001211433198 803682193 /nfs/dbraw/zinc/68/21/93/803682193.db2.gz GTZBUOYQGTZKDB-ZIAGYGMSSA-N 2 2 294.399 0.482 20 0 CCADLP C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001211433198 803682198 /nfs/dbraw/zinc/68/21/98/803682198.db2.gz GTZBUOYQGTZKDB-ZIAGYGMSSA-N 2 2 294.399 0.482 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C ZINC001214531042 803747498 /nfs/dbraw/zinc/74/74/98/803747498.db2.gz KVTSDEBWHIXCFH-JHJVBQTASA-N 2 2 294.399 0.814 20 0 CCADLP CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001276749482 803861737 /nfs/dbraw/zinc/86/17/37/803861737.db2.gz NRWMUHHXPYCFHK-XYYAHUGASA-N 2 2 262.357 0.587 20 0 CCADLP CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001276749482 803861745 /nfs/dbraw/zinc/86/17/45/803861745.db2.gz NRWMUHHXPYCFHK-XYYAHUGASA-N 2 2 262.357 0.587 20 0 CCADLP CCOCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001217010703 803862758 /nfs/dbraw/zinc/86/27/58/803862758.db2.gz TZJFHHZBBMAQLU-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP Cc1cc(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)n[nH]1 ZINC001218495554 803962336 /nfs/dbraw/zinc/96/23/36/803962336.db2.gz GCVKLDRESGSOHQ-NSHDSACASA-N 2 2 259.313 0.929 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2nc3ccc(F)cc3o2)C1 ZINC001218498129 803964205 /nfs/dbraw/zinc/96/42/05/803964205.db2.gz SSGFVNJZBKJJGE-APPZFPTMSA-N 2 2 264.260 0.595 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1n[nH]cc1Br ZINC001218507088 803973279 /nfs/dbraw/zinc/97/32/79/803973279.db2.gz HESLZMMSTQKJIT-ZETCQYMHSA-N 2 2 299.132 0.404 20 0 CCADLP Cn1nc2c(c1NC(=O)[C@@]13CC[C@@H]([NH2+]1)[C@H]([NH3+])C3)CCC2 ZINC001218528855 803990002 /nfs/dbraw/zinc/99/00/02/803990002.db2.gz UXAJNGZRBGRKBC-UDZFHETQSA-N 2 2 275.356 0.069 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc(Cl)nnc1Cl ZINC001218542581 803996048 /nfs/dbraw/zinc/99/60/48/803996048.db2.gz YFMJVOQBABSDRI-WHFBIAKZSA-N 2 2 276.127 0.269 20 0 CCADLP Cc1ncc(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)cn1 ZINC001218575691 804017188 /nfs/dbraw/zinc/01/71/88/804017188.db2.gz JXOCAJMNJYEXNV-ZDUSSCGKSA-N 2 2 271.324 0.996 20 0 CCADLP Cn1nc(C(C)(C)C)cc1NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001218605121 804032449 /nfs/dbraw/zinc/03/24/49/804032449.db2.gz CABGEPKEQLSOHN-UHFFFAOYSA-N 2 2 293.415 0.998 20 0 CCADLP CCOc1cnc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)cn1 ZINC001218619515 804036880 /nfs/dbraw/zinc/03/68/80/804036880.db2.gz BWIRVGQVNXPOCD-KKFJDGPESA-N 2 2 277.328 0.036 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1csc(Br)n1 ZINC001218629576 804045656 /nfs/dbraw/zinc/04/56/56/804045656.db2.gz XJZZJJIJSGPBQB-WHFBIAKZSA-N 2 2 291.174 0.391 20 0 CCADLP Cc1cc(C)c2c(NC(=O)[C@@H]([NH3+])CC[NH3+])nn(C)c2n1 ZINC001218661014 804069831 /nfs/dbraw/zinc/06/98/31/804069831.db2.gz KBPFIDKGLLEAIA-VIFPVBQESA-N 2 2 276.344 0.200 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cc(-c2ccncn2)cs1 ZINC001218666385 804073080 /nfs/dbraw/zinc/07/30/80/804073080.db2.gz YXBBPQXCHHABKD-VIFPVBQESA-N 2 2 277.353 0.820 20 0 CCADLP Cc1cc(NC(=O)C[NH2+]C2CC[NH2+]CC2)cc(=O)o1 ZINC001218681939 804078982 /nfs/dbraw/zinc/07/89/82/804078982.db2.gz JOJAHSXRHPEVJI-UHFFFAOYSA-N 2 2 265.313 0.228 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)Nc2cnc3nccn3c2)cc1 ZINC001218784396 804119649 /nfs/dbraw/zinc/11/96/49/804119649.db2.gz JWMWTDFIQIMCRU-ZDUSSCGKSA-N 2 2 296.334 0.940 20 0 CCADLP [NH3+][C@H](C(=O)Nc1ccn2cc[nH+]c2c1)C1CC[NH2+]CC1 ZINC001218788799 804120792 /nfs/dbraw/zinc/12/07/92/804120792.db2.gz YZJSQIPRWMGNHG-ZDUSSCGKSA-N 3 2 273.340 0.600 20 0 CCADLP COc1cc(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)c(C)cn1 ZINC001218792304 804123046 /nfs/dbraw/zinc/12/30/46/804123046.db2.gz WZRDYQGNLVKKBU-JTQLQIEISA-N 2 2 275.312 0.630 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cccc3nsnc32)C1 ZINC001218808361 804128032 /nfs/dbraw/zinc/12/80/32/804128032.db2.gz WBNMBICDSGECAT-MUWHJKNJSA-N 2 2 263.326 0.319 20 0 CCADLP COc1cc(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)cc(OC)c1 ZINC001218809902 804130190 /nfs/dbraw/zinc/13/01/90/804130190.db2.gz SFJOCPKXJYCFLK-CYBMUJFWSA-N 2 2 290.323 0.935 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1cccc(N)c1 ZINC001218823936 804133248 /nfs/dbraw/zinc/13/32/48/804133248.db2.gz QXNMSLCLJBTUDW-LBPRGKRZSA-N 2 2 259.313 0.511 20 0 CCADLP O=C(Nc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001218849250 804138967 /nfs/dbraw/zinc/13/89/67/804138967.db2.gz XSKQHAJLKSLZDS-KGLIPLIRSA-N 2 2 286.335 0.450 20 0 CCADLP N[C@]1(C(=O)Nc2ccc(Cn3cc[nH+]c3)cc2)CCC[NH2+]C1 ZINC001218848713 804139235 /nfs/dbraw/zinc/13/92/35/804139235.db2.gz QTMJQAVVCRFTOG-MRXNPFEDSA-N 2 2 299.378 0.951 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc2c1cc[nH]c2=O ZINC001218902034 804152954 /nfs/dbraw/zinc/15/29/54/804152954.db2.gz UQYKIHDGPGLPDI-QWRGUYRKSA-N 2 2 272.308 0.426 20 0 CCADLP Cc1ccc(C(N)=O)cc1NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218914491 804156760 /nfs/dbraw/zinc/15/67/60/804156760.db2.gz XMHQILUHDVUSSR-LLVKDONJSA-N 2 2 287.323 0.326 20 0 CCADLP NC(=O)c1ccc(NC(=O)C2([NH3+])CC[NH2+]CC2)cc1Cl ZINC001218951582 804165082 /nfs/dbraw/zinc/16/50/82/804165082.db2.gz LOFKXQQPUGLHTL-UHFFFAOYSA-N 2 2 296.758 0.458 20 0 CCADLP CC1(C)c2ccc(NC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)cc2NC1=O ZINC001218977439 804171206 /nfs/dbraw/zinc/17/12/06/804171206.db2.gz BOAJAIQOWGGJKZ-PELKAZGASA-N 2 2 288.351 0.544 20 0 CCADLP COc1ccc2c(c1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C(=O)CC2 ZINC001218993555 804178900 /nfs/dbraw/zinc/17/89/00/804178900.db2.gz MGVZBAIJOPHYFO-ZJUUUORDSA-N 2 2 289.335 0.452 20 0 CCADLP CN1c2ccc(NC(=O)C3([NH3+])CC[NH2+]CC3)cc2CC1=O ZINC001219020836 804184263 /nfs/dbraw/zinc/18/42/63/804184263.db2.gz OQSOZDFUEXVQJB-UHFFFAOYSA-N 2 2 288.351 0.225 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc2ncncc2c1 ZINC001219107281 804202779 /nfs/dbraw/zinc/20/27/79/804202779.db2.gz AFFQYZOPCMPCPB-QWRGUYRKSA-N 2 2 257.297 0.115 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccccc2-c2ncc[nH]2)C1 ZINC001219168202 804223624 /nfs/dbraw/zinc/22/36/24/804223624.db2.gz XJGIRSLXNXSSNF-SKDRFNHKSA-N 2 2 271.324 0.704 20 0 CCADLP CN1Cc2cccc(NC(=O)C3([NH3+])CC[NH2+]CC3)c2C1=O ZINC001219365104 804288351 /nfs/dbraw/zinc/28/83/51/804288351.db2.gz VKTKCESYELOJJW-UHFFFAOYSA-N 2 2 288.351 0.292 20 0 CCADLP Cc1cccnc1CNC(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C ZINC001219564364 804350885 /nfs/dbraw/zinc/35/08/85/804350885.db2.gz ZIJOEKGEDZUIPS-LBPRGKRZSA-N 2 2 273.340 0.310 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)c2cc3n(n2)CCC[N@H+](C)C3)C[NH2+]1 ZINC001219593787 804365698 /nfs/dbraw/zinc/36/56/98/804365698.db2.gz JMIBHRFPMDYTGS-RYUDHWBXSA-N 2 2 291.399 0.589 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)c2cc3n(n2)CCC[N@@H+](C)C3)C[NH2+]1 ZINC001219593787 804365707 /nfs/dbraw/zinc/36/57/07/804365707.db2.gz JMIBHRFPMDYTGS-RYUDHWBXSA-N 2 2 291.399 0.589 20 0 CCADLP Cc1ncc(CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)s1 ZINC001219595939 804366684 /nfs/dbraw/zinc/36/66/84/804366684.db2.gz XBGPJWFSHONHBM-FOGDFJRCSA-N 2 2 266.370 0.290 20 0 CCADLP O=C(NC[C@]1(O)CC[NH2+]C[C@@H]1F)c1cccc2[nH+]ccn21 ZINC001219627673 804380054 /nfs/dbraw/zinc/38/00/54/804380054.db2.gz AXQAFNZWTVDPNE-SMDDNHRTSA-N 2 2 292.314 0.127 20 0 CCADLP O=C(N[C@@H]1CCCC[C@H]1F)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219671971 804400598 /nfs/dbraw/zinc/40/05/98/804400598.db2.gz YLAQYLULAKVYNT-WGBDABJCSA-N 2 2 255.337 0.335 20 0 CCADLP Cc1cc(C)cc(OC[C@H](C)NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c1 ZINC001219712566 804410977 /nfs/dbraw/zinc/41/09/77/804410977.db2.gz QTJZPSHXXXEGPI-QEJZJMRPSA-N 2 2 291.395 0.734 20 0 CCADLP Cc1c[nH]c(CCNC(=O)[C@@H]([NH3+])Cc2cccc(O)c2)[nH+]1 ZINC001219952325 804456127 /nfs/dbraw/zinc/45/61/27/804456127.db2.gz SLSKRJFWPXMFJO-ZDUSSCGKSA-N 2 2 288.351 0.652 20 0 CCADLP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001219981169 804464996 /nfs/dbraw/zinc/46/49/96/804464996.db2.gz YTJATAABYUPXJV-JLNYLFASSA-N 3 2 280.416 0.056 20 0 CCADLP C[N@H+]1CCC[C@@H](CCNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)C1 ZINC001219981169 804464999 /nfs/dbraw/zinc/46/49/99/804464999.db2.gz YTJATAABYUPXJV-JLNYLFASSA-N 3 2 280.416 0.056 20 0 CCADLP O=C(NCc1cccc2ncccc12)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220039761 804481180 /nfs/dbraw/zinc/48/11/80/804481180.db2.gz RMDWLLJMYIBFPS-VBNZEHGJSA-N 2 2 296.374 0.801 20 0 CCADLP O=C(NCc1ccc2c(c1)CCO2)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220067596 804493499 /nfs/dbraw/zinc/49/34/99/804493499.db2.gz PYCPTOFRNYHDCY-MELADBBJSA-N 2 2 287.363 0.188 20 0 CCADLP C[NH2+]CCCCNC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1 ZINC001220079262 804495881 /nfs/dbraw/zinc/49/58/81/804495881.db2.gz DFNJEPNCQFTGKM-CYBMUJFWSA-N 3 2 264.373 0.375 20 0 CCADLP COC1CCC(NC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001220220825 804540724 /nfs/dbraw/zinc/54/07/24/804540724.db2.gz GVCNELKUKIEZTG-DLOFLVKXSA-N 2 2 267.373 0.012 20 0 CCADLP CCOC(CCNC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)OCC ZINC001220230196 804544120 /nfs/dbraw/zinc/54/41/20/804544120.db2.gz DFOQEAXQJQTBRU-LLVKDONJSA-N 2 2 284.360 0.185 20 0 CCADLP Cc1cccnc1[C@@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C1CC1 ZINC001220257212 804553846 /nfs/dbraw/zinc/55/38/46/804553846.db2.gz RGCGTXUAOQGPLS-DYEKYZERSA-N 2 2 274.368 0.647 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)C=C1CC[NH2+]CC1 ZINC001220275247 804558232 /nfs/dbraw/zinc/55/82/32/804558232.db2.gz WLNYWJPGWCKUPI-UHFFFAOYSA-N 2 2 278.356 0.456 20 0 CCADLP CCCCC(=O)[C@H](C)NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2 ZINC001220371465 804583429 /nfs/dbraw/zinc/58/34/29/804583429.db2.gz USTFIQPUBGBCIG-OXIWPEFWSA-N 2 2 267.373 0.472 20 0 CCADLP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2C(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001220383852 804589051 /nfs/dbraw/zinc/58/90/51/804589051.db2.gz DZLJJQLZXLWBKV-XBFCOCLRSA-N 3 2 288.395 0.811 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCc1c[nH]c2cccnc12 ZINC001220384372 804591279 /nfs/dbraw/zinc/59/12/79/804591279.db2.gz QUECVCDRKUPPQT-LBPRGKRZSA-N 2 2 298.350 0.515 20 0 CCADLP CCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001220441593 804603431 /nfs/dbraw/zinc/60/34/31/804603431.db2.gz HYWDGWFQOBJDHG-XQQFMLRXSA-N 2 2 280.372 0.406 20 0 CCADLP CCC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001220441593 804603434 /nfs/dbraw/zinc/60/34/34/804603434.db2.gz HYWDGWFQOBJDHG-XQQFMLRXSA-N 2 2 280.372 0.406 20 0 CCADLP O=C(NC1(c2cccnc2)CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220561043 804623546 /nfs/dbraw/zinc/62/35/46/804623546.db2.gz SWHUTKOQTMZPRT-IUODEOHRSA-N 2 2 272.352 0.138 20 0 CCADLP [NH3+]C1(C(=O)NC2(c3cccnc3)CC2)CC[NH2+]CC1 ZINC001220560538 804624699 /nfs/dbraw/zinc/62/46/99/804624699.db2.gz LWWVYTDMNQPXCI-UHFFFAOYSA-N 2 2 260.341 0.268 20 0 CCADLP O=C(NCC(F)(F)c1ccccn1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220569136 804625533 /nfs/dbraw/zinc/62/55/33/804625533.db2.gz FQFYRZXUKHIADE-GARJFASQSA-N 2 2 296.321 0.240 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC(F)(F)c1ccccn1 ZINC001220569915 804625970 /nfs/dbraw/zinc/62/59/70/804625970.db2.gz UPGGKYIIKUMJSV-JTQLQIEISA-N 2 2 295.293 0.583 20 0 CCADLP COc1ccc([C@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])C2CC2)cc1 ZINC001220637557 804640860 /nfs/dbraw/zinc/64/08/60/804640860.db2.gz FKUCOVKOHINPKH-SOUVJXGZSA-N 2 2 289.379 0.809 20 0 CCADLP O=C(NCc1ccc2ocnc2c1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220678718 804647093 /nfs/dbraw/zinc/64/70/93/804647093.db2.gz JNANTHTZDYKTPJ-NHYWBVRUSA-N 2 2 286.335 0.396 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)NCc1ccn(Cc2ccccc2)n1 ZINC001220707643 804653427 /nfs/dbraw/zinc/65/34/27/804653427.db2.gz XXABCFKODRBDGK-GJZGRUSLSA-N 2 2 299.378 0.094 20 0 CCADLP O=C(NCc1cccc2cc[nH]c21)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220714462 804655504 /nfs/dbraw/zinc/65/55/04/804655504.db2.gz NDWQOEBQDIGLCV-MELADBBJSA-N 2 2 284.363 0.734 20 0 CCADLP C[C@H](CNC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2)CC(C)(C)CC[NH3+] ZINC001220763928 804661807 /nfs/dbraw/zinc/66/18/07/804661807.db2.gz SRYWTJJGAFCHLE-ZENOOKHLSA-N 3 2 296.459 0.455 20 0 CCADLP COc1cccc2[nH]cc(CNC(=O)[C@H]3C[NH2+]C[C@@H]3[NH3+])c21 ZINC001220812085 804671139 /nfs/dbraw/zinc/67/11/39/804671139.db2.gz BNBZFAGBBYKXJE-QWRGUYRKSA-N 2 2 288.351 0.339 20 0 CCADLP O=C(NC1(C(F)(F)F)CC1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001220838418 804678790 /nfs/dbraw/zinc/67/87/90/804678790.db2.gz OKHGKRPMMKGWIJ-BIIVOSGPSA-N 2 2 263.263 0.147 20 0 CCADLP [NH3+]Cc1ccccc1CNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220852914 804681756 /nfs/dbraw/zinc/68/17/56/804681756.db2.gz CNETZOGKEINWDP-ZDUSSCGKSA-N 3 2 273.340 0.055 20 0 CCADLP COC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001220919249 804700251 /nfs/dbraw/zinc/70/02/51/804700251.db2.gz ZJQLTMTWAXLTSL-YPMHNXCESA-N 2 2 297.399 0.400 20 0 CCADLP COC(=O)[C@@H]([NH3+])CC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001220919249 804700253 /nfs/dbraw/zinc/70/02/53/804700253.db2.gz ZJQLTMTWAXLTSL-YPMHNXCESA-N 2 2 297.399 0.400 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001220972734 804713141 /nfs/dbraw/zinc/71/31/41/804713141.db2.gz KPLYHKPMLIMHQG-STQMWFEESA-N 3 2 280.416 0.043 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NC2(c3cnccn3)CC2)cc1 ZINC001221081971 804728215 /nfs/dbraw/zinc/72/82/15/804728215.db2.gz BBKAERGAFVXVAZ-CYBMUJFWSA-N 2 2 297.362 0.854 20 0 CCADLP CC(C)[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001221154497 804737081 /nfs/dbraw/zinc/73/70/81/804737081.db2.gz OKFKKUWSBQCCHM-OLZOCXBDSA-N 2 2 280.372 0.233 20 0 CCADLP CC(C)[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2)[C@@H](O)C1 ZINC001221154497 804737088 /nfs/dbraw/zinc/73/70/88/804737088.db2.gz OKFKKUWSBQCCHM-OLZOCXBDSA-N 2 2 280.372 0.233 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NC[C@H]2CCCC(F)(F)C2)C1 ZINC001221161991 804737296 /nfs/dbraw/zinc/73/72/96/804737296.db2.gz IPMUIVQCVDBMFP-AEJSXWLSSA-N 2 2 261.316 0.617 20 0 CCADLP O=C(NCc1cncc2ccccc21)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221331655 804778579 /nfs/dbraw/zinc/77/85/79/804778579.db2.gz DZHBKLWTCCHHQW-WMLDXEAASA-N 2 2 296.374 0.803 20 0 CCADLP O=C(NCc1cncc2ccccc21)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001221334201 804780266 /nfs/dbraw/zinc/78/02/66/804780266.db2.gz ZSSQYFBETINVAX-VBNZEHGJSA-N 2 2 296.374 0.801 20 0 CCADLP [NH3+]C1(C(=O)NCc2ccc3oc(=O)[nH]c3c2)CC[NH2+]CC1 ZINC001221386609 804797295 /nfs/dbraw/zinc/79/72/95/804797295.db2.gz VMBWILJWUSYQFV-UHFFFAOYSA-N 2 2 290.323 0.231 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCCOc2cccc3ccoc32)C1 ZINC001221383340 804797439 /nfs/dbraw/zinc/79/74/39/804797439.db2.gz KOWJRJCWDDZFDN-NEPJUHHUSA-N 2 2 289.335 0.617 20 0 CCADLP Nc1nccc(Cl)c1CN1CC[NH2+]C2(CC[NH2+]CC2)C1 ZINC001222090783 804866050 /nfs/dbraw/zinc/86/60/50/804866050.db2.gz KPHPYIKPMNRJSP-UHFFFAOYSA-N 2 2 295.818 0.845 20 0 CCADLP C[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001222092990 804866137 /nfs/dbraw/zinc/86/61/37/804866137.db2.gz ZMIGVACBFHDUNW-UONOGXRCSA-N 2 2 294.399 0.625 20 0 CCADLP COCCCC[NH2+][C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222097704 804867703 /nfs/dbraw/zinc/86/77/03/804867703.db2.gz DYEMUHHCWYQWQD-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP CO[C@H](C)C[NH+]1CCC(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001224666420 805067657 /nfs/dbraw/zinc/06/76/57/805067657.db2.gz XQOAFAGKUKQRKJ-GFCCVEGCSA-N 2 2 294.399 0.815 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]CCCO ZINC001225960227 805180989 /nfs/dbraw/zinc/18/09/89/805180989.db2.gz BITIJHFSRNPGSI-CHWSQXEVSA-N 2 2 294.399 0.742 20 0 CCADLP C[C@H](O)C[NH+]1CCC(NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001228407815 805444350 /nfs/dbraw/zinc/44/43/50/805444350.db2.gz GQDLKESBMIYHHJ-LBPRGKRZSA-N 2 2 294.399 0.314 20 0 CCADLP CCOCC[NH+]1CCC(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001228515770 805453809 /nfs/dbraw/zinc/45/38/09/805453809.db2.gz BCDBBFZZJGNXMX-UHFFFAOYSA-N 2 2 294.399 0.890 20 0 CCADLP CC(C)[NH+]1CC(Nc2[nH+]ncc3c2OCCN3C)C1 ZINC001168312641 815088079 /nfs/dbraw/zinc/08/80/79/815088079.db2.gz DBFFKIJSSVNHFI-UHFFFAOYSA-N 2 2 263.345 0.810 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1C[NH2+]C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001245985033 807107254 /nfs/dbraw/zinc/10/72/54/807107254.db2.gz SECJJXYXCPKUPR-PQEBFOHHSA-N 3 2 291.439 0.895 20 0 CCADLP O[C@@H](C[NH2+][C@@H]1CCC[NH2+]C1)COc1cccc(F)c1 ZINC001246009849 807114569 /nfs/dbraw/zinc/11/45/69/807114569.db2.gz IBTDUNDKIRORCY-OLZOCXBDSA-N 2 2 268.332 0.907 20 0 CCADLP [NH3+]CCC[NH2+]CCC[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC001246011533 807114776 /nfs/dbraw/zinc/11/47/76/807114776.db2.gz VSWCZENONGGLLJ-CQSZACIVSA-N 3 2 299.390 0.484 20 0 CCADLP O[C@H](C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC001246028993 807126487 /nfs/dbraw/zinc/12/64/87/807126487.db2.gz VBGFHYQHDMAPOT-HUUCEWRRSA-N 2 2 261.369 0.357 20 0 CCADLP O[C@H](C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC001246028993 807126492 /nfs/dbraw/zinc/12/64/92/807126492.db2.gz VBGFHYQHDMAPOT-HUUCEWRRSA-N 2 2 261.369 0.357 20 0 CCADLP CCOC(=O)CN1CCC([NH2+][C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246080086 807145331 /nfs/dbraw/zinc/14/53/31/807145331.db2.gz DPUPBZFIEFUHRR-QWHCGFSZSA-N 2 2 287.379 0.304 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@H](NC[C@@H]2C[C@@H](F)C[NH2+]2)C[NH2+]1 ZINC001246114405 807156384 /nfs/dbraw/zinc/15/63/84/807156384.db2.gz VRYZACZDZDXELZ-RHYQMDGZSA-N 2 2 287.379 0.348 20 0 CCADLP C([NH2+]C1CCOCC1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246140299 807163703 /nfs/dbraw/zinc/16/37/03/807163703.db2.gz GSYBDYWIYIUPRM-ZDUSSCGKSA-N 3 2 253.390 0.629 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)C1 ZINC001246140259 807164037 /nfs/dbraw/zinc/16/40/37/807164037.db2.gz GKAFSTQQIGKOJV-RDBSUJKOSA-N 3 2 295.427 0.792 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@H](N[C@@H]2CCCC[C@H]2[NH3+])C[NH2+]1 ZINC001246175300 807176958 /nfs/dbraw/zinc/17/69/58/807176958.db2.gz LAEIGQMLSPSIGQ-LOWDOPEQSA-N 2 2 283.416 0.918 20 0 CCADLP CC(C)[NH+](CC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C(C)C ZINC001246181910 807179050 /nfs/dbraw/zinc/17/90/50/807179050.db2.gz SOYYORSBULTSMK-AWEZNQCLSA-N 3 2 268.449 0.789 20 0 CCADLP COC(=O)[C@H](O)[C@@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC001246198661 807183952 /nfs/dbraw/zinc/18/39/52/807183952.db2.gz TVCBLBNFLOUPKF-CYUUQNCZSA-N 2 2 292.379 0.992 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H](O)[C@H]3OC(C)(C)O[C@@H]23)C[NH2+]1 ZINC001246216966 807190176 /nfs/dbraw/zinc/19/01/76/807190176.db2.gz CQPQWXCBASGDKH-NMIFLECGSA-N 2 2 270.373 0.370 20 0 CCADLP C[C@@H]1CC[C@H](NCC2([NH+]3CCCC3)COC2)C[NH2+]1 ZINC001246220817 807191555 /nfs/dbraw/zinc/19/15/55/807191555.db2.gz IAZBIUQZZBHRBA-OLZOCXBDSA-N 2 2 253.390 0.581 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N2CCCc3ccc(C[NH3+])nc32)C[NH2+]1 ZINC001246265119 807200938 /nfs/dbraw/zinc/20/09/38/807200938.db2.gz UKIGYAQKGZHBNM-STQMWFEESA-N 2 2 290.367 0.196 20 0 CCADLP COc1cccc(C[C@H](C)[NH2+][C@H]2C[NH2+]C[C@H]2CO)c1 ZINC001246298974 807211890 /nfs/dbraw/zinc/21/18/90/807211890.db2.gz JGCALRGFYKMYIH-WHOFXGATSA-N 2 2 264.369 0.796 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@@H]1[NH2+][C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001246302302 807213350 /nfs/dbraw/zinc/21/33/50/807213350.db2.gz CJGCAYYZJPIBAD-NVBFEUDRSA-N 2 2 282.334 0.992 20 0 CCADLP COC(=O)C1C[C@@H]2CC([NH2+]CC[C@H](C)[NH3+])C[C@H](C1)[NH2+]2 ZINC001246302870 807215046 /nfs/dbraw/zinc/21/50/46/807215046.db2.gz CBIRVAJWHFZMQC-HQXFNHHZSA-N 3 2 269.389 0.386 20 0 CCADLP C[C@H](Cc1cccc(F)c1)[NH2+][C@H]1C[NH2+]C[C@H]1CO ZINC001246309491 807217118 /nfs/dbraw/zinc/21/71/18/807217118.db2.gz RDKARHUNVDNELJ-OSMZGAPFSA-N 2 2 252.333 0.927 20 0 CCADLP COC(=O)c1ccc(C[C@H](C)[NH2+][C@@H]2C[NH2+]C[C@@H]2CO)cc1 ZINC001246305882 807217321 /nfs/dbraw/zinc/21/73/21/807217321.db2.gz JWKYODCPTQCPLY-NILFDRSVSA-N 2 2 292.379 0.574 20 0 CCADLP COC(=O)c1ccc(C[C@H](C)[NH2+][C@H]2C[NH2+]C[C@@H]2CO)cc1 ZINC001246305881 807217521 /nfs/dbraw/zinc/21/75/21/807217521.db2.gz JWKYODCPTQCPLY-GLQYFDAESA-N 2 2 292.379 0.574 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCc2cc(F)c(F)cc2C1 ZINC001246312537 807218530 /nfs/dbraw/zinc/21/85/30/807218530.db2.gz XZLOGHZDMKIOJN-SLEUVZQESA-N 2 2 282.334 0.992 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@@H](N[C@H]2C[NH2+]CC[C@@H]2C)C[NH2+]1 ZINC001246324005 807221491 /nfs/dbraw/zinc/22/14/91/807221491.db2.gz DNZZNYFRHRUPDX-KZVDOYCCSA-N 2 2 269.389 0.258 20 0 CCADLP C[C@@H]1CC[C@@H](N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)C[NH2+]1 ZINC001246326501 807222260 /nfs/dbraw/zinc/22/22/60/807222260.db2.gz PMRCFPHKOFQGIS-BNOWGMLFSA-N 3 2 252.406 0.140 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]CCC2(C)C)CN1 ZINC001246324868 807222825 /nfs/dbraw/zinc/22/28/25/807222825.db2.gz HKEYPNGMJPOXOF-GRYCIOLGSA-N 2 2 269.389 0.258 20 0 CCADLP CC(C)[C@@H]([NH3+])CN[C@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246332901 807224847 /nfs/dbraw/zinc/22/48/47/807224847.db2.gz OBGIQDBSIGZYOW-WOPDTQHZSA-N 2 2 271.405 0.632 20 0 CCADLP C[C@H]1CC[C@@H]([NH2+][C@@H]2CCN(c3ncccn3)C2)C[NH2+]1 ZINC001246403156 807243407 /nfs/dbraw/zinc/24/34/07/807243407.db2.gz LLRYHGUTWQBKNU-YNEHKIRRSA-N 2 2 261.373 0.785 20 0 CCADLP COCCOc1cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)ncn1 ZINC001246437204 807250999 /nfs/dbraw/zinc/25/09/99/807250999.db2.gz ZYIFMEXIRXTDRK-RYUDHWBXSA-N 2 2 280.372 0.732 20 0 CCADLP CCC[C@@]1(CN[C@H]2C[NH2+][C@H](C(=O)OC)C2)CC[NH2+]1 ZINC001246456905 807254934 /nfs/dbraw/zinc/25/49/34/807254934.db2.gz PPHJVZJBWQMLGC-MDZLAQPJSA-N 2 2 255.362 0.012 20 0 CCADLP CC[C@@]1(C(=O)OC)C[C@H](N[C@H]2C[C@H]([NH2+]C)C2)C[NH2+]1 ZINC001246460955 807255052 /nfs/dbraw/zinc/25/50/52/807255052.db2.gz LRJWVSLGIDTZSJ-ZPFDUUQYSA-N 2 2 255.362 0.010 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@@H](N[C@H]2C[C@H]([NH2+]C)C2)C[NH2+]1 ZINC001246460953 807255361 /nfs/dbraw/zinc/25/53/61/807255361.db2.gz LRJWVSLGIDTZSJ-PRULPYPASA-N 2 2 255.362 0.010 20 0 CCADLP CS(=O)(=O)N1CCC([NH2+][C@H](C[NH3+])c2ccccc2)CC1 ZINC001246508598 807268698 /nfs/dbraw/zinc/26/86/98/807268698.db2.gz UWCXWYVGMOXWNU-CQSZACIVSA-N 2 2 297.424 0.700 20 0 CCADLP CC1(C)C[C@H]([N@H+]2CCCC[C@@](O)(C[NH3+])C2)CC[NH2+]1 ZINC001246555057 807284157 /nfs/dbraw/zinc/28/41/57/807284157.db2.gz AWGZULGXPCQHBC-TZMCWYRMSA-N 3 2 255.406 0.693 20 0 CCADLP CC1(C)C[C@H]([N@@H+]2CCCC[C@@](O)(C[NH3+])C2)CC[NH2+]1 ZINC001246555057 807284155 /nfs/dbraw/zinc/28/41/55/807284155.db2.gz AWGZULGXPCQHBC-TZMCWYRMSA-N 3 2 255.406 0.693 20 0 CCADLP COc1ccc([C@H]2C[C@H]([N@@H+]3C[C@@H]([NH3+])[C@H](O)C3)CCO2)cc1 ZINC001246558328 807287436 /nfs/dbraw/zinc/28/74/36/807287436.db2.gz QEVSOIXHXQKPQO-DTZQCDIJSA-N 2 2 292.379 0.919 20 0 CCADLP COc1ccc([C@H]2C[C@H]([N@H+]3C[C@@H]([NH3+])[C@H](O)C3)CCO2)cc1 ZINC001246558328 807287439 /nfs/dbraw/zinc/28/74/39/807287439.db2.gz QEVSOIXHXQKPQO-DTZQCDIJSA-N 2 2 292.379 0.919 20 0 CCADLP CC(=O)N1CC[C@@H]([N@@H+]2CCCC[C@](F)(C[NH3+])C2)C1 ZINC001246580908 807304286 /nfs/dbraw/zinc/30/42/86/807304286.db2.gz OGXCFRLXZJBNJE-OLZOCXBDSA-N 2 2 257.353 0.760 20 0 CCADLP CC(=O)N1CC[C@@H]([N@H+]2CCCC[C@](F)(C[NH3+])C2)C1 ZINC001246580908 807304294 /nfs/dbraw/zinc/30/42/94/807304294.db2.gz OGXCFRLXZJBNJE-OLZOCXBDSA-N 2 2 257.353 0.760 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H]([N@@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)CN1 ZINC001246590070 807310398 /nfs/dbraw/zinc/31/03/98/807310398.db2.gz IDXIJYPGIGCHKH-SFDCQRBFSA-N 2 2 283.416 0.729 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H]([N@H+]2C[C@@H](C[NH3+])CC[C@@H]2C)CN1 ZINC001246590070 807310407 /nfs/dbraw/zinc/31/04/07/807310407.db2.gz IDXIJYPGIGCHKH-SFDCQRBFSA-N 2 2 283.416 0.729 20 0 CCADLP C[C@@H]1CC([N@@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C[C@@H](C)[NH2+]1 ZINC001246634368 807337203 /nfs/dbraw/zinc/33/72/03/807337203.db2.gz GIEHYBHQSPCQPL-YRGRVCCFSA-N 3 2 252.406 0.153 20 0 CCADLP C[C@@H]1CC([N@H+]2CCN[C@@]3(CC[NH2+]C3)C2)C[C@@H](C)[NH2+]1 ZINC001246634368 807337212 /nfs/dbraw/zinc/33/72/12/807337212.db2.gz GIEHYBHQSPCQPL-YRGRVCCFSA-N 3 2 252.406 0.153 20 0 CCADLP CCOC(=O)[C@@]12CCO[C@@H]1CC[N@@H+]([C@@H]1CCC[NH2+]C1)C2 ZINC001246668292 807350182 /nfs/dbraw/zinc/35/01/82/807350182.db2.gz INUFRDYHPRLZAO-UMVBOHGHSA-N 2 2 282.384 0.783 20 0 CCADLP CCOC(=O)[C@@]12CCO[C@@H]1CC[N@H+]([C@@H]1CCC[NH2+]C1)C2 ZINC001246668292 807350184 /nfs/dbraw/zinc/35/01/84/807350184.db2.gz INUFRDYHPRLZAO-UMVBOHGHSA-N 2 2 282.384 0.783 20 0 CCADLP C1C[C@H]2CC([N@@H+]3CCCO[C@]4(C[NH2+]CCOC4)C3)C[C@@H]1[NH2+]2 ZINC001246665482 807350230 /nfs/dbraw/zinc/35/02/30/807350230.db2.gz HPTDAQWRXBLZLE-VFSICIBPSA-N 3 2 295.427 0.350 20 0 CCADLP C1C[C@H]2CC([N@H+]3CCCO[C@]4(C[NH2+]CCOC4)C3)C[C@@H]1[NH2+]2 ZINC001246665482 807350234 /nfs/dbraw/zinc/35/02/34/807350234.db2.gz HPTDAQWRXBLZLE-VFSICIBPSA-N 3 2 295.427 0.350 20 0 CCADLP C[C@@H]1CC[C@@H]([NH+]2CCC(C(=O)N3CC[NH2+]CC3)CC2)C[NH2+]1 ZINC001246675505 807352510 /nfs/dbraw/zinc/35/25/10/807352510.db2.gz RUNLXOYPCIIHPF-UKRRQHHQSA-N 3 2 294.443 0.271 20 0 CCADLP O=C1NCCCC12CC[NH+]([C@@H]1CCC[NH2+]C1)CC2 ZINC001246819272 807394386 /nfs/dbraw/zinc/39/43/86/807394386.db2.gz CPUMGOMNEWIUHX-GFCCVEGCSA-N 2 2 251.374 0.731 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCN(c3ncccc3N)CC2)CC[NH2+]1 ZINC001246856850 807408965 /nfs/dbraw/zinc/40/89/65/807408965.db2.gz WIDVJADMVOKUIX-OLZOCXBDSA-N 2 2 275.400 0.926 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)CN1 ZINC001246973222 807443053 /nfs/dbraw/zinc/44/30/53/807443053.db2.gz NOAGQZWXTHUTNT-XBFCOCLRSA-N 2 2 281.400 0.354 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)CN1 ZINC001246973222 807443057 /nfs/dbraw/zinc/44/30/57/807443057.db2.gz NOAGQZWXTHUTNT-XBFCOCLRSA-N 2 2 281.400 0.354 20 0 CCADLP CO[C@@H]1C[N@@H+](C2CCC3(CCC[NH2+]C3)CC2)C[C@@H]1[NH3+] ZINC001246983865 807447495 /nfs/dbraw/zinc/44/74/95/807447495.db2.gz VHAFNXKPCJJTSX-RAFNIBEQSA-N 3 2 267.417 0.957 20 0 CCADLP CO[C@@H]1C[N@H+](C2CCC3(CCC[NH2+]C3)CC2)C[C@@H]1[NH3+] ZINC001246983865 807447498 /nfs/dbraw/zinc/44/74/98/807447498.db2.gz VHAFNXKPCJJTSX-RAFNIBEQSA-N 3 2 267.417 0.957 20 0 CCADLP [NH3+]C[C@H]([NH3+])Cc1nc(-c2ccc3c(c2)OCCO3)no1 ZINC001249130178 807544918 /nfs/dbraw/zinc/54/49/18/807544918.db2.gz WQBFOURMLKGNAZ-SECBINFHSA-N 2 2 276.296 0.336 20 0 CCADLP COCOc1ccccc1-c1noc(C[C@@H]([NH3+])C[NH3+])n1 ZINC001249129344 807545100 /nfs/dbraw/zinc/54/51/00/807545100.db2.gz LMKYVSROMBQLMO-SECBINFHSA-N 2 2 278.312 0.548 20 0 CCADLP [NH3+]C[C@H]([NH3+])Cc1nc(-c2cccc(-n3cccn3)c2)no1 ZINC001249129334 807545208 /nfs/dbraw/zinc/54/52/08/807545208.db2.gz LBBXRJYPYLDRRQ-LLVKDONJSA-N 2 2 284.323 0.751 20 0 CCADLP C[N@H+](CCN1CC[NH+](C)CC1)C[C@@H](O)C(F)(F)F ZINC001250976363 807628457 /nfs/dbraw/zinc/62/84/57/807628457.db2.gz NVEVTFQCLINFFA-SNVBAGLBSA-N 2 2 269.311 0.089 20 0 CCADLP OC[C@@H](O)C[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001252061622 807785705 /nfs/dbraw/zinc/78/57/05/807785705.db2.gz PVNADUCUKAUHPW-KRWDZBQOSA-N 2 2 290.407 0.862 20 0 CCADLP OC[C@@H](O)C[NH+]1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001252061622 807785708 /nfs/dbraw/zinc/78/57/08/807785708.db2.gz PVNADUCUKAUHPW-KRWDZBQOSA-N 2 2 290.407 0.862 20 0 CCADLP COC(=O)[C@H](O)C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001252423997 807837709 /nfs/dbraw/zinc/83/77/09/807837709.db2.gz IDTYROGNEZVPLS-CQSZACIVSA-N 2 2 284.400 0.859 20 0 CCADLP COC(=O)[C@H](O)C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001252423997 807837717 /nfs/dbraw/zinc/83/77/17/807837717.db2.gz IDTYROGNEZVPLS-CQSZACIVSA-N 2 2 284.400 0.859 20 0 CCADLP CC[N@H+](CCn1cc[nH+]c1)C[C@H](O)COC(C)C ZINC001252680978 807940701 /nfs/dbraw/zinc/94/07/01/807940701.db2.gz HWOUUIBSZUENME-ZDUSSCGKSA-N 2 2 255.362 0.991 20 0 CCADLP CC[N@@H+](CCn1cc[nH+]c1)C[C@H](O)COC(C)C ZINC001252680978 807940706 /nfs/dbraw/zinc/94/07/06/807940706.db2.gz HWOUUIBSZUENME-ZDUSSCGKSA-N 2 2 255.362 0.991 20 0 CCADLP COC[C@@H](O)CNc1[nH+]cccc1N1CC[NH+](C)CC1 ZINC001252813107 807964527 /nfs/dbraw/zinc/96/45/27/807964527.db2.gz WHBOSAYXVUQPHV-LBPRGKRZSA-N 2 2 280.372 0.253 20 0 CCADLP CC[NH+](CC)C[C@@H](O)CN1CC([N@@H+]2CCOC(C)(C)C2)C1 ZINC001253188329 808023473 /nfs/dbraw/zinc/02/34/73/808023473.db2.gz VVBIGXMPLHZRMO-OAHLLOKOSA-N 2 2 299.459 0.484 20 0 CCADLP CC[NH+](CC)C[C@@H](O)CN1CC([N@H+]2CCOC(C)(C)C2)C1 ZINC001253188329 808023478 /nfs/dbraw/zinc/02/34/78/808023478.db2.gz VVBIGXMPLHZRMO-OAHLLOKOSA-N 2 2 299.459 0.484 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+]C[C@H](O)c1ccncc1 ZINC001253215285 808036820 /nfs/dbraw/zinc/03/68/20/808036820.db2.gz WUSMWEQEZCZLDE-KBPBESRZSA-N 2 2 267.373 0.407 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCC[C@]2(CCCC(=O)N2)C1 ZINC001253391270 808052975 /nfs/dbraw/zinc/05/29/75/808052975.db2.gz XTLJNIDNJYPWBC-CZUORRHYSA-N 2 2 297.443 0.870 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@]2(CCCC(=O)N2)C1 ZINC001253391270 808052982 /nfs/dbraw/zinc/05/29/82/808052982.db2.gz XTLJNIDNJYPWBC-CZUORRHYSA-N 2 2 297.443 0.870 20 0 CCADLP COc1cc(C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)ccn1 ZINC001253405759 808059445 /nfs/dbraw/zinc/05/94/45/808059445.db2.gz NSWUFJWOQPYZPL-LBPRGKRZSA-N 2 2 267.373 0.929 20 0 CCADLP CCCCC[C@@H](O)C[NH2+][C@@H](Cc1c[nH+]c[nH]1)C(N)=O ZINC001253563246 808080210 /nfs/dbraw/zinc/08/02/10/808080210.db2.gz JJAXRJKPWMMTTO-NEPJUHHUSA-N 2 2 268.361 0.337 20 0 CCADLP Cc1[nH]c2c([nH+]1)CC[NH+](C[C@H](O)C(=O)OC(C)(C)C)CC2 ZINC001253676519 808110784 /nfs/dbraw/zinc/11/07/84/808110784.db2.gz JSWOXGFCGHRMRC-ZDUSSCGKSA-N 2 2 295.383 0.821 20 0 CCADLP CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+]([C@H]1CCC[NH+](C)CC1)C2 ZINC001254519897 808253689 /nfs/dbraw/zinc/25/36/89/808253689.db2.gz VGIOEHOGHYDDCC-SQWLQELKSA-N 2 2 295.427 0.698 20 0 CCADLP CNC(=O)[C@@]12CCO[C@@H]1CC[N@H+]([C@H]1CCC[NH+](C)CC1)C2 ZINC001254519897 808253696 /nfs/dbraw/zinc/25/36/96/808253696.db2.gz VGIOEHOGHYDDCC-SQWLQELKSA-N 2 2 295.427 0.698 20 0 CCADLP CNC(=O)[C@@]12CCO[C@@H]1CC[NH+]([C@H]1CCC[N@H+](C)CC1)C2 ZINC001254519897 808253700 /nfs/dbraw/zinc/25/37/00/808253700.db2.gz VGIOEHOGHYDDCC-SQWLQELKSA-N 2 2 295.427 0.698 20 0 CCADLP CNC(=O)[C@@]12CCO[C@@H]1CC[NH+]([C@H]1CCC[N@@H+](C)CC1)C2 ZINC001254519897 808253705 /nfs/dbraw/zinc/25/37/05/808253705.db2.gz VGIOEHOGHYDDCC-SQWLQELKSA-N 2 2 295.427 0.698 20 0 CCADLP C1OCC1N1CC[C@H]([NH2+][C@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254838641 808283405 /nfs/dbraw/zinc/28/34/05/808283405.db2.gz HAZNIHBVBLNKEF-KBPBESRZSA-N 2 2 265.401 0.533 20 0 CCADLP COC(=O)[C@H](C[NH3+])C[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC001255101448 808316453 /nfs/dbraw/zinc/31/64/53/808316453.db2.gz RTESBHFODGHRAT-HUUCEWRRSA-N 2 2 291.395 0.598 20 0 CCADLP CCOC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2COC[C@H]2[NH3+])C1 ZINC001255336419 808346705 /nfs/dbraw/zinc/34/67/05/808346705.db2.gz BQTDTEDBITTYLO-DDHJBXDOSA-N 2 2 256.346 0.424 20 0 CCADLP C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]C1CC([NH3+])C1 ZINC001255806349 808429014 /nfs/dbraw/zinc/42/90/14/808429014.db2.gz DKLAOPMZOFQZNL-UNXYVOJBSA-N 2 2 268.382 0.928 20 0 CCADLP CC(C)[NH+]1CCC([N@@H+]2CC[C@H]3CNC(=O)[C@H]3C2)CC1 ZINC001257216791 808598916 /nfs/dbraw/zinc/59/89/16/808598916.db2.gz IRHAQRVIRIPARO-JSGCOSHPSA-N 2 2 265.401 0.927 20 0 CCADLP CC(C)[NH+]1CCC([N@H+]2CC[C@H]3CNC(=O)[C@H]3C2)CC1 ZINC001257216791 808598923 /nfs/dbraw/zinc/59/89/23/808598923.db2.gz IRHAQRVIRIPARO-JSGCOSHPSA-N 2 2 265.401 0.927 20 0 CCADLP CC(C)C[NH+]1CCC([NH2+]C2(CCO)COC2)CC1 ZINC001258003074 808646466 /nfs/dbraw/zinc/64/64/66/808646466.db2.gz XRTOQKFVNWESIO-UHFFFAOYSA-N 2 2 256.390 0.848 20 0 CCADLP CCOC(=O)CCC[C@@H](C)[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC001258102847 808654088 /nfs/dbraw/zinc/65/40/88/808654088.db2.gz JLXJDLQYTNQHKF-NEPJUHHUSA-N 2 2 258.362 0.768 20 0 CCADLP CCOC(=O)CCC[C@@H](C)[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC001258102847 808654091 /nfs/dbraw/zinc/65/40/91/808654091.db2.gz JLXJDLQYTNQHKF-NEPJUHHUSA-N 2 2 258.362 0.768 20 0 CCADLP [NH3+]CC[N@H+](CCO)C1CCN(c2ccccc2)CC1 ZINC001258501106 808690184 /nfs/dbraw/zinc/69/01/84/808690184.db2.gz MUZUHBAKIOVQIK-UHFFFAOYSA-N 2 2 263.385 0.908 20 0 CCADLP [NH3+]CC[N@@H+](CCO)C1CCN(c2ccccc2)CC1 ZINC001258501106 808690189 /nfs/dbraw/zinc/69/01/89/808690189.db2.gz MUZUHBAKIOVQIK-UHFFFAOYSA-N 2 2 263.385 0.908 20 0 CCADLP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1cc(N)ccn1 ZINC001262201755 809240389 /nfs/dbraw/zinc/24/03/89/809240389.db2.gz DRCHZZTUABGSQI-ZWKOPEQDSA-N 2 2 250.346 0.506 20 0 CCADLP CO[C@H](C)C[N@@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076295222 815273823 /nfs/dbraw/zinc/27/38/23/815273823.db2.gz FUPWIJVSQFGJRE-MBNYWOFBSA-N 2 2 292.383 0.520 20 0 CCADLP CO[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001076295222 815273824 /nfs/dbraw/zinc/27/38/24/815273824.db2.gz FUPWIJVSQFGJRE-MBNYWOFBSA-N 2 2 292.383 0.520 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNc1c[nH]c(=O)[nH]c1=O ZINC001262701516 809399808 /nfs/dbraw/zinc/39/98/08/809399808.db2.gz OEVKVYSHXZLYCP-UHFFFAOYSA-N 2 2 269.349 0.183 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNc1c[nH]c(=O)[nH]c1=O ZINC001262701516 809399811 /nfs/dbraw/zinc/39/98/11/809399811.db2.gz OEVKVYSHXZLYCP-UHFFFAOYSA-N 2 2 269.349 0.183 20 0 CCADLP C[C@@H]1C[N@H+](CCNc2cc[nH+]c(N)n2)[C@@H](C)CO1 ZINC001262701078 809400267 /nfs/dbraw/zinc/40/02/67/809400267.db2.gz AMCPREXYMZWJFN-VHSXEESVSA-N 2 2 251.334 0.580 20 0 CCADLP C[C@@H]1C[N@@H+](CCNc2cc[nH+]c(N)n2)[C@@H](C)CO1 ZINC001262701078 809400273 /nfs/dbraw/zinc/40/02/73/809400273.db2.gz AMCPREXYMZWJFN-VHSXEESVSA-N 2 2 251.334 0.580 20 0 CCADLP C[C@@H](OCC1CC1)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001263192449 809476806 /nfs/dbraw/zinc/47/68/06/809476806.db2.gz ZTCYLKHDWGMQRQ-LLVKDONJSA-N 2 2 269.389 0.341 20 0 CCADLP CC[C@H](F)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001265949705 809903366 /nfs/dbraw/zinc/90/33/66/809903366.db2.gz ZJAJYRALFLEPCK-RYUDHWBXSA-N 2 2 268.336 0.822 20 0 CCADLP Cc1noc(C[N@H+](C)CCCNC(=O)C[NH+]2CCCC2)n1 ZINC001265974444 809911305 /nfs/dbraw/zinc/91/13/05/809911305.db2.gz NQULYZHQJGVRDI-UHFFFAOYSA-N 2 2 295.387 0.412 20 0 CCADLP Cc1noc(C[N@@H+](C)CCCNC(=O)C[NH+]2CCCC2)n1 ZINC001265974444 809911308 /nfs/dbraw/zinc/91/13/08/809911308.db2.gz NQULYZHQJGVRDI-UHFFFAOYSA-N 2 2 295.387 0.412 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@H+](CC2CC2)C1 ZINC001267308759 811130482 /nfs/dbraw/zinc/13/04/82/811130482.db2.gz GCIXKOKSLPWIDM-CYBMUJFWSA-N 2 2 262.357 0.731 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001267308759 811130490 /nfs/dbraw/zinc/13/04/90/811130490.db2.gz GCIXKOKSLPWIDM-CYBMUJFWSA-N 2 2 262.357 0.731 20 0 CCADLP CN(CC[NH2+]CCF)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001267396661 811283980 /nfs/dbraw/zinc/28/39/80/811283980.db2.gz YQRSNSHOCSLJPQ-NSHDSACASA-N 2 2 268.336 0.463 20 0 CCADLP CN(CC[NH2+]Cc1ccnn1C)C(=O)CCn1cc[nH+]c1 ZINC001267411412 811288053 /nfs/dbraw/zinc/28/80/53/811288053.db2.gz ZJBOYBUVODLILC-UHFFFAOYSA-N 2 2 290.371 0.255 20 0 CCADLP Cc1ncc(C[NH2+]CCN(C)C(=O)Cc2c[nH+]c[nH]2)o1 ZINC001267435436 811305108 /nfs/dbraw/zinc/30/51/08/811305108.db2.gz YINZHVGQOOVYCW-UHFFFAOYSA-N 2 2 277.328 0.497 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCO ZINC001039816150 811393728 /nfs/dbraw/zinc/39/37/28/811393728.db2.gz BJYNGDKXQWGUNO-OKILXGFUSA-N 2 2 292.383 0.331 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCO ZINC001039816150 811393741 /nfs/dbraw/zinc/39/37/41/811393741.db2.gz BJYNGDKXQWGUNO-OKILXGFUSA-N 2 2 292.383 0.331 20 0 CCADLP Cn1ccc(NC(=O)c2ccc([C@H]([NH3+])C[NH3+])cc2)n1 ZINC001218498587 811573557 /nfs/dbraw/zinc/57/35/57/811573557.db2.gz WYFQCAREDVRRNI-LLVKDONJSA-N 2 2 259.313 0.631 20 0 CCADLP CC(C)[N@@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC001083290689 811698472 /nfs/dbraw/zinc/69/84/72/811698472.db2.gz POLPZMVWAAJOPG-QWHCGFSZSA-N 2 2 278.356 0.203 20 0 CCADLP CC(C)[N@H+]1C[C@H]2OCCN(C(=O)Cn3cc[nH+]c3)[C@H]2C1 ZINC001083290689 811698476 /nfs/dbraw/zinc/69/84/76/811698476.db2.gz POLPZMVWAAJOPG-QWHCGFSZSA-N 2 2 278.356 0.203 20 0 CCADLP C[NH2+]CCNc1cc[nH+]c2[nH]cc(CC(=O)OC)c21 ZINC001167727160 811704024 /nfs/dbraw/zinc/70/40/24/811704024.db2.gz YHESUPUROBENES-UHFFFAOYSA-N 2 2 262.313 0.910 20 0 CCADLP COCCOCCOCCC[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000690137770 811908396 /nfs/dbraw/zinc/90/83/96/811908396.db2.gz ANOIIGLKTVDMCI-ZDUSSCGKSA-N 2 2 274.405 0.725 20 0 CCADLP COCCOCCOCCC[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000690137770 811908397 /nfs/dbraw/zinc/90/83/97/811908397.db2.gz ANOIIGLKTVDMCI-ZDUSSCGKSA-N 2 2 274.405 0.725 20 0 CCADLP CC(C)=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001077392605 815492782 /nfs/dbraw/zinc/49/27/82/815492782.db2.gz JESXBSNSGMUVCT-ZIAGYGMSSA-N 2 2 292.383 0.319 20 0 CCADLP CC(C)=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001077392605 815492786 /nfs/dbraw/zinc/49/27/86/815492786.db2.gz JESXBSNSGMUVCT-ZIAGYGMSSA-N 2 2 292.383 0.319 20 0 CCADLP CCCC[C@H]([NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC001149129507 812029655 /nfs/dbraw/zinc/02/96/55/812029655.db2.gz FBBQYSCULBPCFX-NSHDSACASA-N 2 2 295.387 0.011 20 0 CCADLP C[N@H+](CCO)CCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168370881 815536906 /nfs/dbraw/zinc/53/69/06/815536906.db2.gz HRXSPRMGYKBOLB-UHFFFAOYSA-N 3 2 269.433 0.765 20 0 CCADLP C[N@@H+](CCO)CCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168370881 815536909 /nfs/dbraw/zinc/53/69/09/815536909.db2.gz HRXSPRMGYKBOLB-UHFFFAOYSA-N 3 2 269.433 0.765 20 0 CCADLP CCC[N@H+](C)CC(=O)NC1C[NH+](C[C@H](C)OC)C1 ZINC001268474153 812630684 /nfs/dbraw/zinc/63/06/84/812630684.db2.gz IPJGDHLAFUJBIJ-NSHDSACASA-N 2 2 257.378 0.164 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC1C[NH+](C[C@H](C)OC)C1 ZINC001268474153 812630686 /nfs/dbraw/zinc/63/06/86/812630686.db2.gz IPJGDHLAFUJBIJ-NSHDSACASA-N 2 2 257.378 0.164 20 0 CCADLP C[C@H](O)C[NH2+]CC=CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001268554206 812793168 /nfs/dbraw/zinc/79/31/68/812793168.db2.gz ARMGBHTTZAMTMX-VUDBWIFFSA-N 2 2 288.351 0.819 20 0 CCADLP O=C(NC/C=C/C[NH2+]Cc1ccon1)C12CC[NH+](CC1)C2 ZINC001268611780 812947616 /nfs/dbraw/zinc/94/76/16/812947616.db2.gz AQSXPCFPYILBRN-OWOJBTEDSA-N 2 2 290.367 0.532 20 0 CCADLP CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc1ccon1)[NH+](C)C ZINC001268616622 812948533 /nfs/dbraw/zinc/94/85/33/812948533.db2.gz IVLYETHLUMSKFO-SZZPACECSA-N 2 2 280.372 0.777 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC/C=C/C[NH2+]C[C@H]1CCCOC1 ZINC001268635032 812957716 /nfs/dbraw/zinc/95/77/16/812957716.db2.gz WBHTTXRTYAFVBH-VSZDKKFSSA-N 2 2 292.383 0.572 20 0 CCADLP COCC[NH2+]C[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001268663723 812989434 /nfs/dbraw/zinc/98/94/34/812989434.db2.gz VUSQDCHEXDFLAO-VXGBXAGGSA-N 2 2 268.361 0.575 20 0 CCADLP O=C(NC[C@@H]1CC[N@@H+](CCF)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001028641367 813100541 /nfs/dbraw/zinc/10/05/41/813100541.db2.gz FJGIKLPBTWSVDE-QWHCGFSZSA-N 2 2 294.374 0.853 20 0 CCADLP O=C(NC[C@@H]1CC[N@H+](CCF)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001028641367 813100545 /nfs/dbraw/zinc/10/05/45/813100545.db2.gz FJGIKLPBTWSVDE-QWHCGFSZSA-N 2 2 294.374 0.853 20 0 CCADLP C[N@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1cccc2c[nH+]cn21 ZINC001269191155 813258353 /nfs/dbraw/zinc/25/83/53/813258353.db2.gz QCPWYIGJVNOHGF-TXEJJXNPSA-N 2 2 256.309 0.863 20 0 CCADLP C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)c1cccc2c[nH+]cn21 ZINC001269191155 813258356 /nfs/dbraw/zinc/25/83/56/813258356.db2.gz QCPWYIGJVNOHGF-TXEJJXNPSA-N 2 2 256.309 0.863 20 0 CCADLP C[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)c1cccc2c[nH+]cn21 ZINC001269191727 813258438 /nfs/dbraw/zinc/25/84/38/813258438.db2.gz ZCTYACHKBLDOCN-BETUJISGSA-N 2 2 286.335 0.489 20 0 CCADLP C[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)c1cccc2c[nH+]cn21 ZINC001269191727 813258440 /nfs/dbraw/zinc/25/84/40/813258440.db2.gz ZCTYACHKBLDOCN-BETUJISGSA-N 2 2 286.335 0.489 20 0 CCADLP COCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001038407735 813533117 /nfs/dbraw/zinc/53/31/17/813533117.db2.gz GVAGCWZPCNHHRM-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP COCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001038407735 813533123 /nfs/dbraw/zinc/53/31/23/813533123.db2.gz GVAGCWZPCNHHRM-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP COCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001038407735 813533129 /nfs/dbraw/zinc/53/31/29/813533129.db2.gz GVAGCWZPCNHHRM-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP COCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001038407735 813533137 /nfs/dbraw/zinc/53/31/37/813533137.db2.gz GVAGCWZPCNHHRM-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H](C(=O)N1CCC[C@]2(C1)C[N@H+](C)CCO2)n1cc[nH+]c1 ZINC001270391831 813744735 /nfs/dbraw/zinc/74/47/35/813744735.db2.gz XGQBLNXCXDZUPJ-UKRRQHHQSA-N 2 2 292.383 0.767 20 0 CCADLP C[C@H](C(=O)N1CCC[C@]2(C1)C[N@@H+](C)CCO2)n1cc[nH+]c1 ZINC001270391831 813744741 /nfs/dbraw/zinc/74/47/41/813744741.db2.gz XGQBLNXCXDZUPJ-UKRRQHHQSA-N 2 2 292.383 0.767 20 0 CCADLP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CO)n1cc[nH+]c1 ZINC001270398760 813748710 /nfs/dbraw/zinc/74/87/10/813748710.db2.gz GTPJFZJIRNQWNK-WVMKXHBISA-N 2 2 278.356 0.158 20 0 CCADLP C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CO)n1cc[nH+]c1)C2 ZINC001270399762 813748741 /nfs/dbraw/zinc/74/87/41/813748741.db2.gz UMTOFRYTMXKJEO-UKRRQHHQSA-N 2 2 292.383 0.361 20 0 CCADLP C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CO)n1cc[nH+]c1)C2 ZINC001270399762 813748744 /nfs/dbraw/zinc/74/87/44/813748744.db2.gz UMTOFRYTMXKJEO-UKRRQHHQSA-N 2 2 292.383 0.361 20 0 CCADLP C[NH+](C)CCNc1ccc(OCC[NH+]2CCOCC2)nc1 ZINC001161672785 813951917 /nfs/dbraw/zinc/95/19/17/813951917.db2.gz HNVOKFXUOHZCCW-UHFFFAOYSA-N 2 2 294.399 0.766 20 0 CCADLP COCC[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC001271170846 814307077 /nfs/dbraw/zinc/30/70/77/814307077.db2.gz NEEQPGSESGHAAB-NSHDSACASA-N 2 2 268.361 0.046 20 0 CCADLP COCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001271548736 814474222 /nfs/dbraw/zinc/47/42/22/814474222.db2.gz FTZWVMMQADKTHM-AAEUAGOBSA-N 2 2 294.399 0.734 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+]([C@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000430603875 814549517 /nfs/dbraw/zinc/54/95/17/814549517.db2.gz OCVWJMQYCDRBSF-ZFWWWQNUSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+]([C@H]2CCN(C3CCOCC3)C2=O)C1 ZINC000430603875 814549522 /nfs/dbraw/zinc/54/95/22/814549522.db2.gz OCVWJMQYCDRBSF-ZFWWWQNUSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+](C)C1(CN2C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C2=O)CCC1 ZINC000348566804 815586552 /nfs/dbraw/zinc/58/65/52/815586552.db2.gz AOGVUSJZKHDVQI-NSHDSACASA-N 2 2 291.355 0.357 20 0 CCADLP C[NH+](C)C1(CN2C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C2=O)CCC1 ZINC000348566804 815586562 /nfs/dbraw/zinc/58/65/62/815586562.db2.gz AOGVUSJZKHDVQI-NSHDSACASA-N 2 2 291.355 0.357 20 0 CCADLP Cc1nc(NCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)cc[nH+]1 ZINC001101630625 814922411 /nfs/dbraw/zinc/92/24/11/814922411.db2.gz BFMDKFSZULANLN-GFCCVEGCSA-N 2 2 277.372 0.607 20 0 CCADLP Cc1nc(NCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)cc[nH+]1 ZINC001101630625 814922416 /nfs/dbraw/zinc/92/24/16/814922416.db2.gz BFMDKFSZULANLN-GFCCVEGCSA-N 2 2 277.372 0.607 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001030301075 815965454 /nfs/dbraw/zinc/96/54/54/815965454.db2.gz CEYHKRDNXRVOKH-TZMCWYRMSA-N 2 2 283.416 0.695 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001030301075 815965458 /nfs/dbraw/zinc/96/54/58/815965458.db2.gz CEYHKRDNXRVOKH-TZMCWYRMSA-N 2 2 283.416 0.695 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001030301932 815967176 /nfs/dbraw/zinc/96/71/76/815967176.db2.gz SNZUJAADRHITNN-JSGCOSHPSA-N 2 2 283.416 0.695 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001030301932 815967181 /nfs/dbraw/zinc/96/71/81/815967181.db2.gz SNZUJAADRHITNN-JSGCOSHPSA-N 2 2 283.416 0.695 20 0 CCADLP COCC[NH+]1CC(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001030305747 815968757 /nfs/dbraw/zinc/96/87/57/815968757.db2.gz CDZUVWVPZCZDCE-GXTWGEPZSA-N 2 2 281.400 0.308 20 0 CCADLP COCC[NH+]1CC(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)C1 ZINC001030305747 815968762 /nfs/dbraw/zinc/96/87/62/815968762.db2.gz CDZUVWVPZCZDCE-GXTWGEPZSA-N 2 2 281.400 0.308 20 0 CCADLP NC(=[NH2+])c1nccn1-c1ccc(Cn2cc[nH+]c2)cn1 ZINC001168409566 816029611 /nfs/dbraw/zinc/02/96/11/816029611.db2.gz FQIGGISCEXOCLW-UHFFFAOYSA-N 2 2 267.296 0.796 20 0 CCADLP C[C@H](F)CC[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001030515408 816080121 /nfs/dbraw/zinc/08/01/21/816080121.db2.gz WHJTZOXGNXBFRL-DMDPSCGWSA-N 2 2 287.379 0.254 20 0 CCADLP C[C@H](F)CC[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001030515408 816080126 /nfs/dbraw/zinc/08/01/26/816080126.db2.gz WHJTZOXGNXBFRL-DMDPSCGWSA-N 2 2 287.379 0.254 20 0 CCADLP C[C@@H](F)CC[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001030515409 816080225 /nfs/dbraw/zinc/08/02/25/816080225.db2.gz WHJTZOXGNXBFRL-NQBHXWOUSA-N 2 2 287.379 0.254 20 0 CCADLP C[C@@H](F)CC[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001030515409 816080232 /nfs/dbraw/zinc/08/02/32/816080232.db2.gz WHJTZOXGNXBFRL-NQBHXWOUSA-N 2 2 287.379 0.254 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC1C[NH+](CC2CCC2)C1 ZINC001030683581 816215003 /nfs/dbraw/zinc/21/50/03/816215003.db2.gz PTKKISOBJZUVBQ-UHFFFAOYSA-N 2 2 262.357 0.792 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001030783665 816288877 /nfs/dbraw/zinc/28/88/77/816288877.db2.gz AATNOGAOZZKJCP-LBPRGKRZSA-N 2 2 283.416 0.696 20 0 CCADLP C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)Cc1cc[nH+]c(N)c1 ZINC001272304839 816289969 /nfs/dbraw/zinc/28/99/69/816289969.db2.gz XVWCWQSLZHACPY-RYUDHWBXSA-N 2 2 260.341 0.511 20 0 CCADLP C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)Cc1cc[nH+]c(N)c1 ZINC001272304839 816289974 /nfs/dbraw/zinc/28/99/74/816289974.db2.gz XVWCWQSLZHACPY-RYUDHWBXSA-N 2 2 260.341 0.511 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCF ZINC001272323416 816312343 /nfs/dbraw/zinc/31/23/43/816312343.db2.gz PVQRHZNRHYCIKU-YPMHNXCESA-N 2 2 282.363 0.807 20 0 CCADLP CCC[N@@H+]1CCC[C@@H](C(=O)NC2C[NH+]([C@H](C)COC)C2)C1 ZINC001030826434 816321124 /nfs/dbraw/zinc/32/11/24/816321124.db2.gz ZELKJGLXGPDZJI-ZIAGYGMSSA-N 2 2 297.443 0.944 20 0 CCADLP CCC[N@H+]1CCC[C@@H](C(=O)NC2C[NH+]([C@H](C)COC)C2)C1 ZINC001030826434 816321129 /nfs/dbraw/zinc/32/11/29/816321129.db2.gz ZELKJGLXGPDZJI-ZIAGYGMSSA-N 2 2 297.443 0.944 20 0 CCADLP CCC[N@@H+]1CCC[C@H](C(=O)NC2C[NH+](CC)C2)C1 ZINC001030825830 816322102 /nfs/dbraw/zinc/32/21/02/816322102.db2.gz QCCLNJHVMKYGII-LBPRGKRZSA-N 2 2 253.390 0.929 20 0 CCADLP CCC[N@H+]1CCC[C@H](C(=O)NC2C[NH+](CC)C2)C1 ZINC001030825830 816322108 /nfs/dbraw/zinc/32/21/08/816322108.db2.gz QCCLNJHVMKYGII-LBPRGKRZSA-N 2 2 253.390 0.929 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001030955108 816496816 /nfs/dbraw/zinc/49/68/16/816496816.db2.gz DNWWXQGUMFYITD-VXGBXAGGSA-N 2 2 269.389 0.306 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001030955108 816496821 /nfs/dbraw/zinc/49/68/21/816496821.db2.gz DNWWXQGUMFYITD-VXGBXAGGSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@H]1CCC[N@@H+]1CC(=O)NC1C[NH+](C[C@H]2CCCCO2)C1 ZINC001030956197 816500028 /nfs/dbraw/zinc/50/00/28/816500028.db2.gz VCZJOSFCRFTCNN-DZGCQCFKSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@H]1CCC[N@H+]1CC(=O)NC1C[NH+](C[C@H]2CCCCO2)C1 ZINC001030956197 816500032 /nfs/dbraw/zinc/50/00/32/816500032.db2.gz VCZJOSFCRFTCNN-DZGCQCFKSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@@H]1[NH2+]CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC001122017439 816537784 /nfs/dbraw/zinc/53/77/84/816537784.db2.gz MRLMTESGZCWPSO-SRVKXCTJSA-N 2 2 262.357 0.654 20 0 CCADLP C[C@@H](O)C[NH+]1CC(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001031049873 816607441 /nfs/dbraw/zinc/60/74/41/816607441.db2.gz QXJPLQWWZNQFIG-CHWSQXEVSA-N 2 2 283.416 0.432 20 0 CCADLP Cn1c[nH+]cc1CN1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001038095667 816617029 /nfs/dbraw/zinc/61/70/29/816617029.db2.gz MKUCWGKDQFGDGB-TZMCWYRMSA-N 2 2 291.399 0.205 20 0 CCADLP Cn1c[nH+]cc1CN1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001038095667 816617035 /nfs/dbraw/zinc/61/70/35/816617035.db2.gz MKUCWGKDQFGDGB-TZMCWYRMSA-N 2 2 291.399 0.205 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001031143233 816695768 /nfs/dbraw/zinc/69/57/68/816695768.db2.gz MTBDOVXHQYNSSY-CYBMUJFWSA-N 2 2 283.416 0.554 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)O1 ZINC001235394064 816870338 /nfs/dbraw/zinc/87/03/38/816870338.db2.gz BSKURSWGSPZSEB-GRYCIOLGSA-N 3 2 271.380 0.720 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)O1 ZINC001235394064 816870349 /nfs/dbraw/zinc/87/03/49/816870349.db2.gz BSKURSWGSPZSEB-GRYCIOLGSA-N 3 2 271.380 0.720 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+](CC3CCCC3)C2)C1 ZINC001031415423 817041719 /nfs/dbraw/zinc/04/17/19/817041719.db2.gz VUSWOIKXPZIRTQ-OAHLLOKOSA-N 2 2 295.427 0.698 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NC2C[NH+](CC3CCCC3)C2)C1 ZINC001031415423 817041726 /nfs/dbraw/zinc/04/17/26/817041726.db2.gz VUSWOIKXPZIRTQ-OAHLLOKOSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccns2)C1 ZINC001031585337 817165137 /nfs/dbraw/zinc/16/51/37/817165137.db2.gz WGRJTJVYYMWCDB-CYBMUJFWSA-N 2 2 294.424 0.785 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccns2)C1 ZINC001031585337 817165138 /nfs/dbraw/zinc/16/51/38/817165138.db2.gz WGRJTJVYYMWCDB-CYBMUJFWSA-N 2 2 294.424 0.785 20 0 CCADLP COC(=O)[C@H]1C[N@H+](CC2CCC(OC)CC2)C[C@@H]1[NH3+] ZINC001236346190 817273981 /nfs/dbraw/zinc/27/39/81/817273981.db2.gz XRRONZIVOOYUSY-TYUFSLCMSA-N 2 2 270.373 0.624 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](CC2CCC(OC)CC2)C[C@@H]1[NH3+] ZINC001236346190 817273984 /nfs/dbraw/zinc/27/39/84/817273984.db2.gz XRRONZIVOOYUSY-TYUFSLCMSA-N 2 2 270.373 0.624 20 0 CCADLP O=C(NCC1C[NH+](CCO)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001031773115 817354763 /nfs/dbraw/zinc/35/47/63/817354763.db2.gz MMXQOLCARAPEAM-UHFFFAOYSA-N 2 2 274.324 0.217 20 0 CCADLP N[C@@H](C[NH+]1CCC([NH3+])CC1)c1nc(-c2cccnc2)no1 ZINC001212315203 817364566 /nfs/dbraw/zinc/36/45/66/817364566.db2.gz UXTAVFPNMUMKGV-LBPRGKRZSA-N 2 2 288.355 0.555 20 0 CCADLP CC[NH+]1CC(CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001031788083 817366523 /nfs/dbraw/zinc/36/65/23/817366523.db2.gz GWECYDWIZWAISV-GFCCVEGCSA-N 2 2 276.384 0.891 20 0 CCADLP CC[NH+]1CC(CNC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001031788083 817366532 /nfs/dbraw/zinc/36/65/32/817366532.db2.gz GWECYDWIZWAISV-GFCCVEGCSA-N 2 2 276.384 0.891 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000353515303 817389578 /nfs/dbraw/zinc/38/95/78/817389578.db2.gz DOEIOBQOZNOPFB-JSGCOSHPSA-N 2 2 291.399 0.717 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000353515303 817389588 /nfs/dbraw/zinc/38/95/88/817389588.db2.gz DOEIOBQOZNOPFB-JSGCOSHPSA-N 2 2 291.399 0.717 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1csnn1 ZINC001127643649 817414129 /nfs/dbraw/zinc/41/41/29/817414129.db2.gz FGGXLCOIJOGFBW-GMTAPVOTSA-N 2 2 297.428 0.645 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1csnn1 ZINC001127643649 817414134 /nfs/dbraw/zinc/41/41/34/817414134.db2.gz FGGXLCOIJOGFBW-GMTAPVOTSA-N 2 2 297.428 0.645 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2cnsn2)CC[N@@H+]1C ZINC001127644281 817416057 /nfs/dbraw/zinc/41/60/57/817416057.db2.gz YCAINWXBSMXAOB-MWLCHTKSSA-N 2 2 283.401 0.084 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCC[NH2+]Cc2cnsn2)CC[N@H+]1C ZINC001127644281 817416060 /nfs/dbraw/zinc/41/60/60/817416060.db2.gz YCAINWXBSMXAOB-MWLCHTKSSA-N 2 2 283.401 0.084 20 0 CCADLP CC(C)c1nnc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001124835857 817590145 /nfs/dbraw/zinc/59/01/45/817590145.db2.gz BPSWTVVXFRIQKE-NSHDSACASA-N 2 2 295.387 0.493 20 0 CCADLP CC(C)c1nnc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001124835857 817590150 /nfs/dbraw/zinc/59/01/50/817590150.db2.gz BPSWTVVXFRIQKE-NSHDSACASA-N 2 2 295.387 0.493 20 0 CCADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)o1 ZINC001032186849 817681219 /nfs/dbraw/zinc/68/12/19/817681219.db2.gz YCNYQKSEIRFMOU-ZDUSSCGKSA-N 2 2 292.383 0.483 20 0 CCADLP Cc1ncc(C[NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)o1 ZINC001032186849 817681225 /nfs/dbraw/zinc/68/12/25/817681225.db2.gz YCNYQKSEIRFMOU-ZDUSSCGKSA-N 2 2 292.383 0.483 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001043878271 818189641 /nfs/dbraw/zinc/18/96/41/818189641.db2.gz DERHOBYRTPZCCC-ZDUSSCGKSA-N 2 2 297.443 0.896 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(N(C)C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001043878271 818189644 /nfs/dbraw/zinc/18/96/44/818189644.db2.gz DERHOBYRTPZCCC-ZDUSSCGKSA-N 2 2 297.443 0.896 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc3c(c2)OCC(=O)N3)CC1 ZINC001168737111 818557857 /nfs/dbraw/zinc/55/78/57/818557857.db2.gz PATLYMWPWCWNRF-UHFFFAOYSA-N 2 2 289.339 0.612 20 0 CCADLP Cc1cc(NC(=[NH2+])N2CC[NH+](C)CC2)cn(C)c1=O ZINC001168740395 818600923 /nfs/dbraw/zinc/60/09/23/818600923.db2.gz HPRBLDSKTIROFP-UHFFFAOYSA-N 2 2 263.345 0.288 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccc([S@@](C)=O)cn2)CC1 ZINC001168741268 818609795 /nfs/dbraw/zinc/60/97/95/818609795.db2.gz VGABCBDBTFPZLV-LJQANCHMSA-N 2 2 281.385 0.413 20 0 CCADLP CN(C(=O)[C@@H]1CCCc2[nH+]c[nH]c21)[C@@H]1CC[N@H+](CCO)C1 ZINC001033417363 818763486 /nfs/dbraw/zinc/76/34/86/818763486.db2.gz UDHZEPJREGARRU-VXGBXAGGSA-N 2 2 292.383 0.355 20 0 CCADLP CN(C(=O)[C@@H]1CCCc2[nH+]c[nH]c21)[C@@H]1CC[N@@H+](CCO)C1 ZINC001033417363 818763490 /nfs/dbraw/zinc/76/34/90/818763490.db2.gz UDHZEPJREGARRU-VXGBXAGGSA-N 2 2 292.383 0.355 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+](CCF)C1 ZINC001033663884 818875656 /nfs/dbraw/zinc/87/56/56/818875656.db2.gz AEWMHJVIXSVGIN-LBPRGKRZSA-N 2 2 268.336 0.694 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+](CCF)C1 ZINC001033663884 818875661 /nfs/dbraw/zinc/87/56/61/818875661.db2.gz AEWMHJVIXSVGIN-LBPRGKRZSA-N 2 2 268.336 0.694 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ncccn1 ZINC001128774102 818985065 /nfs/dbraw/zinc/98/50/65/818985065.db2.gz LLJUGQZWGIHZIB-CYBMUJFWSA-N 2 2 291.399 0.557 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ncccn1 ZINC001128774102 818985071 /nfs/dbraw/zinc/98/50/71/818985071.db2.gz LLJUGQZWGIHZIB-CYBMUJFWSA-N 2 2 291.399 0.557 20 0 CCADLP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702119730 819058295 /nfs/dbraw/zinc/05/82/95/819058295.db2.gz HFWDWFZJDMTGBS-UHIISALHSA-N 2 2 253.390 0.831 20 0 CCADLP C[C@H](C(=O)NC(C)(C)C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702119730 819058300 /nfs/dbraw/zinc/05/83/00/819058300.db2.gz HFWDWFZJDMTGBS-UHIISALHSA-N 2 2 253.390 0.831 20 0 CCADLP CC(C)CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702123689 819063718 /nfs/dbraw/zinc/06/37/18/819063718.db2.gz FNDHSYFCGLUPFB-SGMGOOAPSA-N 2 2 253.390 0.688 20 0 CCADLP CC(C)CNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702123689 819063724 /nfs/dbraw/zinc/06/37/24/819063724.db2.gz FNDHSYFCGLUPFB-SGMGOOAPSA-N 2 2 253.390 0.688 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+]C[C@@H]1C[C@]12CCOC2 ZINC001128967117 819234270 /nfs/dbraw/zinc/23/42/70/819234270.db2.gz BVEWPYFRKFVMAZ-WFASDCNBSA-N 2 2 292.383 0.475 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC[NH2+]C[C@@H]1C[C@]12CCOC2 ZINC001128967117 819234278 /nfs/dbraw/zinc/23/42/78/819234278.db2.gz BVEWPYFRKFVMAZ-WFASDCNBSA-N 2 2 292.383 0.475 20 0 CCADLP CS(=O)(=O)N1CCC[N@H+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000703172084 819235459 /nfs/dbraw/zinc/23/54/59/819235459.db2.gz SDFYDEZCDSYMIE-CYBMUJFWSA-N 2 2 289.445 0.343 20 0 CCADLP CS(=O)(=O)N1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000703172084 819235465 /nfs/dbraw/zinc/23/54/65/819235465.db2.gz SDFYDEZCDSYMIE-CYBMUJFWSA-N 2 2 289.445 0.343 20 0 CCADLP CC(C)[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001035416632 819519984 /nfs/dbraw/zinc/51/99/84/819519984.db2.gz LGOYAGJPCUXIAV-UONOGXRCSA-N 2 2 283.416 0.696 20 0 CCADLP CC(C)[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001035416632 819519987 /nfs/dbraw/zinc/51/99/87/819519987.db2.gz LGOYAGJPCUXIAV-UONOGXRCSA-N 2 2 283.416 0.696 20 0 CCADLP CC(C)[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001035416632 819519991 /nfs/dbraw/zinc/51/99/91/819519991.db2.gz LGOYAGJPCUXIAV-UONOGXRCSA-N 2 2 283.416 0.696 20 0 CCADLP CC(C)[NH+]1CCO[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001035416632 819519993 /nfs/dbraw/zinc/51/99/93/819519993.db2.gz LGOYAGJPCUXIAV-UONOGXRCSA-N 2 2 283.416 0.696 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCC2(C[NH+](CCO)C2)CC1 ZINC001035762815 819619515 /nfs/dbraw/zinc/61/95/15/819619515.db2.gz FLJDFDBVIFRYDI-UHFFFAOYSA-N 2 2 292.383 0.190 20 0 CCADLP C[C@H](O)C[NH+]1CC2(C1)CCN(C(=O)Cn1cc[nH+]c1)CC2 ZINC001035862941 819638443 /nfs/dbraw/zinc/63/84/43/819638443.db2.gz QRTJGPJTYROYBJ-ZDUSSCGKSA-N 2 2 292.383 0.188 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1[NH2+]CCO ZINC001036049418 819677051 /nfs/dbraw/zinc/67/70/51/819677051.db2.gz WJPKLMDIPVYWAQ-DGCLKSJQSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1[NH2+]CCO ZINC001036049418 819677056 /nfs/dbraw/zinc/67/70/56/819677056.db2.gz WJPKLMDIPVYWAQ-DGCLKSJQSA-N 2 2 280.372 0.161 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001036228446 819710046 /nfs/dbraw/zinc/71/00/46/819710046.db2.gz CDRZYJNROAFVRP-MNOVXSKESA-N 2 2 250.346 0.799 20 0 CCADLP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1[NH2+]CCF ZINC001036312961 819724026 /nfs/dbraw/zinc/72/40/26/819724026.db2.gz HYHXFLAAGFUPLO-RYUDHWBXSA-N 2 2 268.336 0.679 20 0 CCADLP O[C@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)C(F)(F)F ZINC000709996019 819818044 /nfs/dbraw/zinc/81/80/44/819818044.db2.gz LKTICEPKCABDNM-ZJUUUORDSA-N 2 2 252.280 0.985 20 0 CCADLP O[C@H](C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)C(F)(F)F ZINC000709996019 819818050 /nfs/dbraw/zinc/81/80/50/819818050.db2.gz LKTICEPKCABDNM-ZJUUUORDSA-N 2 2 252.280 0.985 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC1([NH2+]CC2CC2)CCC1 ZINC001273162316 820021969 /nfs/dbraw/zinc/02/19/69/820021969.db2.gz YRDGEXWNXGLNNP-UHFFFAOYSA-N 2 2 262.357 0.991 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]CCF)CCC1 ZINC001273185929 820096572 /nfs/dbraw/zinc/09/65/72/820096572.db2.gz FCRITGXAOFLNQF-UHFFFAOYSA-N 2 2 268.336 0.859 20 0 CCADLP CC[C@@H](C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1)OC ZINC001081036979 820671756 /nfs/dbraw/zinc/67/17/56/820671756.db2.gz LKJRTLSGVNCJSY-HZSPNIEDSA-N 2 2 294.399 0.745 20 0 CCADLP CC[C@@H](C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1)OC ZINC001081036979 820671761 /nfs/dbraw/zinc/67/17/61/820671761.db2.gz LKJRTLSGVNCJSY-HZSPNIEDSA-N 2 2 294.399 0.745 20 0 CCADLP CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H](OC)C1 ZINC001081870755 820848229 /nfs/dbraw/zinc/84/82/29/820848229.db2.gz LPBLYYZAGHCCNE-JHJVBQTASA-N 2 2 292.383 0.281 20 0 CCADLP CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H](OC)C1 ZINC001081870755 820848236 /nfs/dbraw/zinc/84/82/36/820848236.db2.gz LPBLYYZAGHCCNE-JHJVBQTASA-N 2 2 292.383 0.281 20 0 CCADLP CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001082604283 821003654 /nfs/dbraw/zinc/00/36/54/821003654.db2.gz KIJHXJQIPITFIK-YRGRVCCFSA-N 2 2 276.384 0.902 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C[C@H]1[NH2+]CCF ZINC001082604331 821004271 /nfs/dbraw/zinc/00/42/71/821004271.db2.gz LRFDQPNLIYOJMN-FRRDWIJNSA-N 2 2 294.374 0.852 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC001082892528 821057808 /nfs/dbraw/zinc/05/78/08/821057808.db2.gz FHLKMRFHNRFBSZ-YRGRVCCFSA-N 2 2 294.399 0.170 20 0 CCADLP [NH3+][C@H](c1cn(CCn2cc[nH+]c2)nn1)[C@@H]1CCCO1 ZINC001119279718 821073030 /nfs/dbraw/zinc/07/30/30/821073030.db2.gz KMCZLIJDDYLAFG-NWDGAFQWSA-N 2 2 262.317 0.354 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)C[C@@H]1O ZINC001084060178 821190891 /nfs/dbraw/zinc/19/08/91/821190891.db2.gz KZPRTPYIIHGCLX-FQVTYBBZSA-N 2 2 298.774 0.105 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)C[C@@H]1O ZINC001084060178 821190895 /nfs/dbraw/zinc/19/08/95/821190895.db2.gz KZPRTPYIIHGCLX-FQVTYBBZSA-N 2 2 298.774 0.105 20 0 CCADLP CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@@H](O)C1 ZINC001084091869 821196775 /nfs/dbraw/zinc/19/67/75/821196775.db2.gz SXKMADXDZZPXLI-AGIUHOORSA-N 2 2 269.389 0.042 20 0 CCADLP CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@@H](O)C1 ZINC001084091869 821196783 /nfs/dbraw/zinc/19/67/83/821196783.db2.gz SXKMADXDZZPXLI-AGIUHOORSA-N 2 2 269.389 0.042 20 0 CCADLP CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@@H](O)C1 ZINC001084091869 821196789 /nfs/dbraw/zinc/19/67/89/821196789.db2.gz SXKMADXDZZPXLI-AGIUHOORSA-N 2 2 269.389 0.042 20 0 CCADLP CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@@H](O)C1 ZINC001084091869 821196796 /nfs/dbraw/zinc/19/67/96/821196796.db2.gz SXKMADXDZZPXLI-AGIUHOORSA-N 2 2 269.389 0.042 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CCF)C[C@H]21 ZINC001084232262 821246476 /nfs/dbraw/zinc/24/64/76/821246476.db2.gz YQCZESREXMLNPQ-JHJVBQTASA-N 2 2 269.364 0.583 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](CCF)C[C@H]21 ZINC001084232262 821246485 /nfs/dbraw/zinc/24/64/85/821246485.db2.gz YQCZESREXMLNPQ-JHJVBQTASA-N 2 2 269.364 0.583 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](CCF)C[C@H]21 ZINC001084232262 821246495 /nfs/dbraw/zinc/24/64/95/821246495.db2.gz YQCZESREXMLNPQ-JHJVBQTASA-N 2 2 269.364 0.583 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](CCF)C[C@H]21 ZINC001084232262 821246503 /nfs/dbraw/zinc/24/65/03/821246503.db2.gz YQCZESREXMLNPQ-JHJVBQTASA-N 2 2 269.364 0.583 20 0 CCADLP CCN(C(=O)NCCc1cn(C)c[nH+]1)[C@@H]1CC[NH2+]C1 ZINC001119476969 821334281 /nfs/dbraw/zinc/33/42/81/821334281.db2.gz MVFVVPPPHAPGCV-GFCCVEGCSA-N 2 2 265.361 0.356 20 0 CCADLP COC[C@@H](O)C[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC000716204783 821607993 /nfs/dbraw/zinc/60/79/93/821607993.db2.gz WNFUOZHZCAXPLV-HNNXBMFYSA-N 2 2 264.369 0.715 20 0 CCADLP O=C(C[NH+]1CCC1)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cn[nH]c1 ZINC001273363866 821964399 /nfs/dbraw/zinc/96/43/99/821964399.db2.gz QWJYBKSSYYCUCW-KBPBESRZSA-N 2 2 289.383 0.291 20 0 CCADLP O=C(C[NH+]1CCC1)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cn[nH]c1 ZINC001273363866 821964403 /nfs/dbraw/zinc/96/44/03/821964403.db2.gz QWJYBKSSYYCUCW-KBPBESRZSA-N 2 2 289.383 0.291 20 0 CCADLP O=C(C[NH+]1CCC1)N1C[C@@H]2C[N@H+](C3CCCC3)C[C@H](C1)O2 ZINC001273367235 821987633 /nfs/dbraw/zinc/98/76/33/821987633.db2.gz QIDGRQBDIINUNC-GASCZTMLSA-N 2 2 293.411 0.546 20 0 CCADLP O=C(C[NH+]1CCC1)N1C[C@@H]2C[N@@H+](C3CCCC3)C[C@H](C1)O2 ZINC001273367235 821987638 /nfs/dbraw/zinc/98/76/38/821987638.db2.gz QIDGRQBDIINUNC-GASCZTMLSA-N 2 2 293.411 0.546 20 0 CCADLP CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001086129550 822121469 /nfs/dbraw/zinc/12/14/69/822121469.db2.gz ZZHRXLCMVJNBRX-RWMBFGLXSA-N 2 2 276.384 0.950 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCO)C1 ZINC001086201173 822152777 /nfs/dbraw/zinc/15/27/77/822152777.db2.gz MMOPFGPWYJPOMY-YVECIDJPSA-N 2 2 292.383 0.000 20 0 CCADLP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000189706828 822278796 /nfs/dbraw/zinc/27/87/96/822278796.db2.gz SVDKDXPRLWFLHA-LSDHHAIUSA-N 2 2 297.443 0.774 20 0 CCADLP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000189706828 822278802 /nfs/dbraw/zinc/27/88/02/822278802.db2.gz SVDKDXPRLWFLHA-LSDHHAIUSA-N 2 2 297.443 0.774 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCC[NH2+]CCCO)c[nH+]1 ZINC001130165281 837712347 /nfs/dbraw/zinc/71/23/47/837712347.db2.gz XCQIWBHNFLRAKM-UHFFFAOYSA-N 2 2 268.361 0.015 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ncccn1 ZINC001130300841 837757412 /nfs/dbraw/zinc/75/74/12/837757412.db2.gz WCFJQXVKRNTPOQ-STQMWFEESA-N 2 2 291.399 0.728 20 0 CCADLP C[C@H]([NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C)c1ncccn1 ZINC001130300841 837757414 /nfs/dbraw/zinc/75/74/14/837757414.db2.gz WCFJQXVKRNTPOQ-STQMWFEESA-N 2 2 291.399 0.728 20 0 CCADLP C[C@H](F)CC[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130404206 837785567 /nfs/dbraw/zinc/78/55/67/837785567.db2.gz HRCLOVVYWMXTOD-NWDGAFQWSA-N 2 2 282.363 0.899 20 0 CCADLP O=C(NCC[NH2+]CCCF)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130405162 837786205 /nfs/dbraw/zinc/78/62/05/837786205.db2.gz YKXQNXVVONOPGN-LLVKDONJSA-N 2 2 268.336 0.511 20 0 CCADLP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+][C@@H](C)c1ncccn1 ZINC001130426992 837790486 /nfs/dbraw/zinc/79/04/86/837790486.db2.gz FXQUVNWMLFNBPB-LBPRGKRZSA-N 2 2 293.415 0.974 20 0 CCADLP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+][C@@H](C)c1ncccn1 ZINC001130426992 837790494 /nfs/dbraw/zinc/79/04/94/837790494.db2.gz FXQUVNWMLFNBPB-LBPRGKRZSA-N 2 2 293.415 0.974 20 0 CCADLP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001130419229 837795169 /nfs/dbraw/zinc/79/51/69/837795169.db2.gz QCRLJEDNGNCSSY-UHFFFAOYSA-N 2 2 282.388 0.919 20 0 CCADLP CC[N@@H+](C)C(C)(C)C(=O)NCC[NH2+]Cc1ncc(C)o1 ZINC001130419229 837795175 /nfs/dbraw/zinc/79/51/75/837795175.db2.gz QCRLJEDNGNCSSY-UHFFFAOYSA-N 2 2 282.388 0.919 20 0 CCADLP O=C(NCC[NH2+]CC1CCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130478037 837802231 /nfs/dbraw/zinc/80/22/31/837802231.db2.gz RBVJWUZKDSGWGU-CYBMUJFWSA-N 2 2 276.384 0.951 20 0 CCADLP COC[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130481179 837804141 /nfs/dbraw/zinc/80/41/41/837804141.db2.gz MGUCJLXTBLOAPR-NWDGAFQWSA-N 2 2 280.372 0.186 20 0 CCADLP O=C(NCC[NH2+]CC1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130481596 837804582 /nfs/dbraw/zinc/80/45/82/837804582.db2.gz XFLNHHLKEXSPTN-GFCCVEGCSA-N 2 2 262.357 0.561 20 0 CCADLP CO[C@H](C)C[NH2+]CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001130481556 837805935 /nfs/dbraw/zinc/80/59/35/837805935.db2.gz WFRZIZOWXOZVID-NEPJUHHUSA-N 2 2 280.372 0.186 20 0 CCADLP C[C@H](F)CC[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130488854 837811941 /nfs/dbraw/zinc/81/19/41/837811941.db2.gz YGVCGEGZPVSFKP-NWDGAFQWSA-N 2 2 282.363 0.899 20 0 CCADLP CC[C@@H](C[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)OC ZINC001130488159 837812695 /nfs/dbraw/zinc/81/26/95/837812695.db2.gz NHIUXQSGBYCZDC-JSGCOSHPSA-N 2 2 294.399 0.576 20 0 CCADLP Cc1[nH+]ccn1-c1ccc(NCCN(C)CC[NH3+])nn1 ZINC001170498746 837830955 /nfs/dbraw/zinc/83/09/55/837830955.db2.gz LTRMVSXADZLBSW-UHFFFAOYSA-N 2 2 275.360 0.273 20 0 CCADLP CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001108373480 835991241 /nfs/dbraw/zinc/99/12/41/835991241.db2.gz VTDLAGMBQHHYHW-HNNXBMFYSA-N 2 2 294.399 0.580 20 0 CCADLP CC[N@H+]1CCO[C@@](C)(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001108373480 835991248 /nfs/dbraw/zinc/99/12/48/835991248.db2.gz VTDLAGMBQHHYHW-HNNXBMFYSA-N 2 2 294.399 0.580 20 0 CCADLP Cc1[nH+]cn(-c2ccc(-n3cc(CC[NH3+])cn3)nn2)c1C ZINC001168945966 836065569 /nfs/dbraw/zinc/06/55/69/836065569.db2.gz CHLFKNASHHFVCY-UHFFFAOYSA-N 2 2 283.339 0.966 20 0 CCADLP CCC[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001108439430 836109757 /nfs/dbraw/zinc/10/97/57/836109757.db2.gz KDFWPOGJPDHMMS-AWEZNQCLSA-N 2 2 280.372 0.500 20 0 CCADLP CCC[N@H+]1CCO[C@@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001108439430 836109759 /nfs/dbraw/zinc/10/97/59/836109759.db2.gz KDFWPOGJPDHMMS-AWEZNQCLSA-N 2 2 280.372 0.500 20 0 CCADLP Cc1ccc2c(ncnc2-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169071233 836123772 /nfs/dbraw/zinc/12/37/72/836123772.db2.gz ILIQUHCLCLNHIR-SNVBAGLBSA-N 2 2 284.323 0.381 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cccn2c[nH+]cc12 ZINC001169073866 836126592 /nfs/dbraw/zinc/12/65/92/836126592.db2.gz FREBACXQGISZIC-SNVBAGLBSA-N 3 2 257.297 0.382 20 0 CCADLP CSc1ncc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c(C)n1 ZINC001169075592 836128390 /nfs/dbraw/zinc/12/83/90/836128390.db2.gz JIBXBRVZNTXXPX-SECBINFHSA-N 2 2 279.369 0.555 20 0 CCADLP CC(C)Oc1ncc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)cn1 ZINC001169076034 836130290 /nfs/dbraw/zinc/13/02/90/836130290.db2.gz LAFFDADARLSSBU-SNVBAGLBSA-N 2 2 277.328 0.312 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H]3CNC(=O)[C@H]3C1)C2 ZINC001169148043 836153753 /nfs/dbraw/zinc/15/37/53/836153753.db2.gz XFZXEIJAQJVXKI-QNSTZXKLSA-N 2 2 263.385 0.680 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CC[C@H]3CNC(=O)[C@H]3C1)C2 ZINC001169148043 836153756 /nfs/dbraw/zinc/15/37/56/836153756.db2.gz XFZXEIJAQJVXKI-QNSTZXKLSA-N 2 2 263.385 0.680 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CC[C@H]3CNC(=O)[C@H]3C1)C2 ZINC001169148043 836153757 /nfs/dbraw/zinc/15/37/57/836153757.db2.gz XFZXEIJAQJVXKI-QNSTZXKLSA-N 2 2 263.385 0.680 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CC[C@H]3CNC(=O)[C@H]3C1)C2 ZINC001169148043 836153760 /nfs/dbraw/zinc/15/37/60/836153760.db2.gz XFZXEIJAQJVXKI-QNSTZXKLSA-N 2 2 263.385 0.680 20 0 CCADLP Cc1ccncc1C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169204170 836160311 /nfs/dbraw/zinc/16/03/11/836160311.db2.gz JMAQBUSAGPOZGB-UHFFFAOYSA-N 2 2 287.367 0.952 20 0 CCADLP CC[NH+]1CCC([N@@H+]2CCO[C@@]3(CCOC3)C2)CC1 ZINC001169245516 836174198 /nfs/dbraw/zinc/17/41/98/836174198.db2.gz GNIZZODBZPGHEV-AWEZNQCLSA-N 2 2 254.374 0.962 20 0 CCADLP CC[NH+]1CCC([N@H+]2CCO[C@@]3(CCOC3)C2)CC1 ZINC001169245516 836174205 /nfs/dbraw/zinc/17/42/05/836174205.db2.gz GNIZZODBZPGHEV-AWEZNQCLSA-N 2 2 254.374 0.962 20 0 CCADLP CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2CCC[C@H]2C[NH3+])CO1 ZINC001169335455 836228121 /nfs/dbraw/zinc/22/81/21/836228121.db2.gz SCDDWWGSIJNQGK-QJPTWQEYSA-N 2 2 256.346 0.520 20 0 CCADLP CCOC(=O)[C@H]1CC[C@@H]([N@H+]2CCC[C@H]2C[NH3+])CO1 ZINC001169335455 836228132 /nfs/dbraw/zinc/22/81/32/836228132.db2.gz SCDDWWGSIJNQGK-QJPTWQEYSA-N 2 2 256.346 0.520 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]2C[NH3+])CO1 ZINC001169335458 836228631 /nfs/dbraw/zinc/22/86/31/836228631.db2.gz SCDDWWGSIJNQGK-TUAOUCFPSA-N 2 2 256.346 0.520 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CCC[C@H]2C[NH3+])CO1 ZINC001169335458 836228637 /nfs/dbraw/zinc/22/86/37/836228637.db2.gz SCDDWWGSIJNQGK-TUAOUCFPSA-N 2 2 256.346 0.520 20 0 CCADLP CC[NH+](CC)C[C@H](F)C(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC001112910273 836962068 /nfs/dbraw/zinc/96/20/68/836962068.db2.gz FIAYPSQORFDQHT-STQMWFEESA-N 2 2 289.395 0.191 20 0 CCADLP CC[N@@H+](C)C(C)(C)C(=O)N1CC[NH+](C[C@H](C)OC)CC1 ZINC001113033033 837005237 /nfs/dbraw/zinc/00/52/37/837005237.db2.gz WFKLNRDEAWYHEC-ZDUSSCGKSA-N 2 2 285.432 0.896 20 0 CCADLP CC[N@H+](C)CCC(=O)N1CC[NH+](CCOCC2CC2)CC1 ZINC001113495480 837135660 /nfs/dbraw/zinc/13/56/60/837135660.db2.gz IJGHYGPZVZCYFO-UHFFFAOYSA-N 2 2 297.443 0.899 20 0 CCADLP CC[N@@H+](C)CCC(=O)N1CC[NH+](CCOCC2CC2)CC1 ZINC001113495480 837135671 /nfs/dbraw/zinc/13/56/71/837135671.db2.gz IJGHYGPZVZCYFO-UHFFFAOYSA-N 2 2 297.443 0.899 20 0 CCADLP CC[C@@H]1C[C@H]([NH2+]C2(CO)CC[NH+](C)CC2)CCO1 ZINC001170203964 837262750 /nfs/dbraw/zinc/26/27/50/837262750.db2.gz NSTAUUSFUUEQCH-CHWSQXEVSA-N 2 2 256.390 0.990 20 0 CCADLP [NH3+]C[C@]1(F)CCCN(C(=O)[C@H](CO)n2cc[nH+]c2)CC1 ZINC001157728745 837325542 /nfs/dbraw/zinc/32/55/42/837325542.db2.gz AFYUOFRXOIPOOG-AAEUAGOBSA-N 2 2 284.335 0.096 20 0 CCADLP [NH3+]C[C@@]1(F)CCCN(C(=O)[C@H](CO)n2cc[nH+]c2)CC1 ZINC001157728747 837325947 /nfs/dbraw/zinc/32/59/47/837325947.db2.gz AFYUOFRXOIPOOG-WCQYABFASA-N 2 2 284.335 0.096 20 0 CCADLP CCN(c1cc(N2CCOCC2)[nH+]cn1)[C@@H]1CCC[NH2+]C1 ZINC001158200206 837974104 /nfs/dbraw/zinc/97/41/04/837974104.db2.gz LFNDBJBFRSLRDG-CYBMUJFWSA-N 2 2 291.399 0.892 20 0 CCADLP COc1cc(C[NH2+]CCNC(=O)Cn2c[nH+]cc2C)on1 ZINC001131380719 838078529 /nfs/dbraw/zinc/07/85/29/838078529.db2.gz XZIBAQNNNPYTFP-UHFFFAOYSA-N 2 2 293.327 0.094 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1nccs1 ZINC001131380662 838079000 /nfs/dbraw/zinc/07/90/00/838079000.db2.gz VWLGXJCUMGCETK-UHFFFAOYSA-N 2 2 279.369 0.554 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[NH2+]Cc1cscn1 ZINC001131387612 838081973 /nfs/dbraw/zinc/08/19/73/838081973.db2.gz XEYNNZUEOIDCMS-UHFFFAOYSA-N 2 2 279.369 0.554 20 0 CCADLP Cc1cc(C)c(C(=O)NCC[NH2+]CCCO)c(C)[nH+]1 ZINC001131562877 838142445 /nfs/dbraw/zinc/14/24/45/838142445.db2.gz NSNFRYSGZXZVPQ-UHFFFAOYSA-N 2 2 265.357 0.709 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC[NH2+]CC1CCC1 ZINC001131652182 838167424 /nfs/dbraw/zinc/16/74/24/838167424.db2.gz BRRJTOIEFVREND-UHFFFAOYSA-N 2 2 264.373 0.859 20 0 CCADLP CCO[C@H](C[NH2+]CCNC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001132081619 838313112 /nfs/dbraw/zinc/31/31/12/838313112.db2.gz COHUYVJZBIMEIL-CQSZACIVSA-N 2 2 294.399 0.794 20 0 CCADLP CCc1nocc1C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132079604 838313181 /nfs/dbraw/zinc/31/31/81/838313181.db2.gz DAKOKOQMVCKNND-UHFFFAOYSA-N 2 2 291.355 0.730 20 0 CCADLP Cc1nnsc1C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132082968 838314079 /nfs/dbraw/zinc/31/40/79/838314079.db2.gz ZGCFMUWEIAWZSB-UHFFFAOYSA-N 2 2 294.384 0.339 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]CC[C@@H]1CCOC1 ZINC001132082367 838314551 /nfs/dbraw/zinc/31/45/51/838314551.db2.gz MRKYPAMMSSGSOP-CYBMUJFWSA-N 2 2 280.372 0.406 20 0 CCADLP COC[C@@H](C)[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132082319 838314814 /nfs/dbraw/zinc/31/48/14/838314814.db2.gz LLGUUDKTISIYNB-LLVKDONJSA-N 2 2 254.334 0.014 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[N@@H+]1CCCO ZINC001132221262 838340246 /nfs/dbraw/zinc/34/02/46/838340246.db2.gz DXNBROFTJCHYTD-KGLIPLIRSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[N@H+]1CCCO ZINC001132221262 838340249 /nfs/dbraw/zinc/34/02/49/838340249.db2.gz DXNBROFTJCHYTD-KGLIPLIRSA-N 2 2 294.399 0.625 20 0 CCADLP COCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C ZINC001133196190 838573255 /nfs/dbraw/zinc/57/32/55/838573255.db2.gz UBDBUTMKXQUUTR-CHWSQXEVSA-N 2 2 294.399 0.673 20 0 CCADLP CCc1cnc(C[NH2+]CCNC(=O)C2CC[NH+](C)CC2)o1 ZINC001133286068 838588372 /nfs/dbraw/zinc/58/83/72/838588372.db2.gz VTHWHEMADMAMRA-UHFFFAOYSA-N 2 2 294.399 0.785 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C)c1csnn1 ZINC001133823795 838723900 /nfs/dbraw/zinc/72/39/00/838723900.db2.gz OPVLRGOHGVOTKZ-WDEREUQCSA-N 2 2 297.428 0.789 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C)c1csnn1 ZINC001133823795 838723905 /nfs/dbraw/zinc/72/39/05/838723905.db2.gz OPVLRGOHGVOTKZ-WDEREUQCSA-N 2 2 297.428 0.789 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C[NH2+]CCCO ZINC001185212849 844364733 /nfs/dbraw/zinc/36/47/33/844364733.db2.gz ANRJDJGAVYVULH-OLZOCXBDSA-N 2 2 294.399 0.409 20 0 CCADLP CCc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@H](CC)[NH+](C)C)[nH]1 ZINC001133965761 838794600 /nfs/dbraw/zinc/79/46/00/838794600.db2.gz JGOQEQRXSMULMK-MNOVXSKESA-N 2 2 296.419 0.474 20 0 CCADLP CC[C@@H](C(=O)NCC[NH2+][C@@H](C)c1nc(C)no1)[NH+](C)C ZINC001133968262 838796722 /nfs/dbraw/zinc/79/67/22/838796722.db2.gz TWDWMSSWDUJUIM-ONGXEEELSA-N 2 2 283.376 0.485 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]CCF ZINC001134049743 838844631 /nfs/dbraw/zinc/84/46/31/838844631.db2.gz MNLREKMZGDYXEW-NXEZZACHSA-N 2 2 254.309 0.199 20 0 CCADLP CO[C@@H](C)C[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001134498473 838994098 /nfs/dbraw/zinc/99/40/98/838994098.db2.gz HVQXITSJBYJWLR-RYUDHWBXSA-N 2 2 268.361 0.575 20 0 CCADLP COC[C@H](C)[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001134517964 839001631 /nfs/dbraw/zinc/00/16/31/839001631.db2.gz YFBLQYNBJHQSBO-RYUDHWBXSA-N 2 2 268.361 0.575 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CCn1cccn1 ZINC001135071267 839149827 /nfs/dbraw/zinc/14/98/27/839149827.db2.gz CGAROXZLQSTHMB-GFCCVEGCSA-N 2 2 290.371 0.191 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]CCn1cccn1 ZINC001135071267 839149831 /nfs/dbraw/zinc/14/98/31/839149831.db2.gz CGAROXZLQSTHMB-GFCCVEGCSA-N 2 2 290.371 0.191 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]Cc1cnn(C)c1 ZINC001135075497 839150827 /nfs/dbraw/zinc/15/08/27/839150827.db2.gz MLCWMWYZWMUFOB-LLVKDONJSA-N 2 2 290.371 0.228 20 0 CCADLP O=C(CC[NH+]1CCOCC1)NCC[NH2+]Cc1nccs1 ZINC001135349866 839222860 /nfs/dbraw/zinc/22/28/60/839222860.db2.gz GPXCHBCETJOCML-UHFFFAOYSA-N 2 2 298.412 0.071 20 0 CCADLP [NH3+]CCC[C@H]([NH3+])Nc1nc[nH]c2nc(=S)sc1-2 ZINC001159787536 839580719 /nfs/dbraw/zinc/58/07/19/839580719.db2.gz XHNNMCFZFIQTEE-RXMQYKEDSA-N 2 2 270.387 0.811 20 0 CCADLP CS(=O)(=O)C1CCC([NH2+][C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246088458 839601522 /nfs/dbraw/zinc/60/15/22/839601522.db2.gz UQWKUXBRUGDTFK-MMVSWEMESA-N 2 2 278.393 0.632 20 0 CCADLP COCC[N@@H+]1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001273508618 844452823 /nfs/dbraw/zinc/45/28/23/844452823.db2.gz NPGADUSBFYRNQM-HNNXBMFYSA-N 2 2 292.383 0.454 20 0 CCADLP COCC[N@H+]1CC[C@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001273508618 844452827 /nfs/dbraw/zinc/45/28/27/844452827.db2.gz NPGADUSBFYRNQM-HNNXBMFYSA-N 2 2 292.383 0.454 20 0 CCADLP F[C@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCCC2(C1)OCCO2 ZINC001246094371 839607084 /nfs/dbraw/zinc/60/70/84/839607084.db2.gz XJYCBUKWHOQFIC-SRVKXCTJSA-N 2 2 258.337 0.962 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@@H](N[C@@]2(C)CCC[NH2+]C2)C[NH2+]1 ZINC001246189526 839671213 /nfs/dbraw/zinc/67/12/13/839671213.db2.gz NBZQQDLLDRPKJO-KWCYVHTRSA-N 2 2 269.389 0.402 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CC2CC2)C[C@@H]1O ZINC001090763837 839785780 /nfs/dbraw/zinc/78/57/80/839785780.db2.gz MNVMMEIOVQNCEO-OCCSQVGLSA-N 2 2 292.383 0.222 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C[C@@H]1O ZINC001090763837 839785790 /nfs/dbraw/zinc/78/57/90/839785790.db2.gz MNVMMEIOVQNCEO-OCCSQVGLSA-N 2 2 292.383 0.222 20 0 CCADLP COC(=O)[C@H](CCC[NH3+])[NH2+][C@@H]1CCN[C@H](C(F)(F)F)C1 ZINC001246402551 839831522 /nfs/dbraw/zinc/83/15/22/839831522.db2.gz XCWLJYYDZCXMPV-UTLUCORTSA-N 2 2 297.321 0.539 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)CN1 ZINC001246556628 840006030 /nfs/dbraw/zinc/00/60/30/840006030.db2.gz JXNDOPDQBFTLGT-MXWKQRLJSA-N 2 2 291.342 0.196 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)CN1 ZINC001246556628 840006038 /nfs/dbraw/zinc/00/60/38/840006038.db2.gz JXNDOPDQBFTLGT-MXWKQRLJSA-N 2 2 291.342 0.196 20 0 CCADLP C[N@@H+]1CCC[C@H]([NH+]2CCCC[C@@](O)(C[NH3+])C2)CC1 ZINC001246561626 840027166 /nfs/dbraw/zinc/02/71/66/840027166.db2.gz RIDYPNBGCUNUAZ-UONOGXRCSA-N 3 2 255.406 0.646 20 0 CCADLP C[N@H+]1CCC[C@H]([NH+]2CCCC[C@@](O)(C[NH3+])C2)CC1 ZINC001246561626 840027173 /nfs/dbraw/zinc/02/71/73/840027173.db2.gz RIDYPNBGCUNUAZ-UONOGXRCSA-N 3 2 255.406 0.646 20 0 CCADLP C[NH+]1CCC[C@H]([N@@H+]2CCCC[C@@](O)(C[NH3+])C2)CC1 ZINC001246561626 840027182 /nfs/dbraw/zinc/02/71/82/840027182.db2.gz RIDYPNBGCUNUAZ-UONOGXRCSA-N 3 2 255.406 0.646 20 0 CCADLP C[NH+]1CCC[C@H]([N@H+]2CCCC[C@@](O)(C[NH3+])C2)CC1 ZINC001246561626 840027189 /nfs/dbraw/zinc/02/71/89/840027189.db2.gz RIDYPNBGCUNUAZ-UONOGXRCSA-N 3 2 255.406 0.646 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC001246562554 840029531 /nfs/dbraw/zinc/02/95/31/840029531.db2.gz UHFDMBMGECWQRD-LXTVHRRPSA-N 3 2 267.417 0.835 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC001246562554 840029535 /nfs/dbraw/zinc/02/95/35/840029535.db2.gz UHFDMBMGECWQRD-LXTVHRRPSA-N 3 2 267.417 0.835 20 0 CCADLP CCOC(=O)[C@@H]1C[C@@H]([N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CCN1 ZINC001246636150 840206001 /nfs/dbraw/zinc/20/60/01/840206001.db2.gz TXXKZGSJLYZJOP-ZDEQEGDKSA-N 2 2 267.373 0.106 20 0 CCADLP CCOC(=O)[C@@H]1C[C@@H]([N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)CCN1 ZINC001246636150 840206010 /nfs/dbraw/zinc/20/60/10/840206010.db2.gz TXXKZGSJLYZJOP-ZDEQEGDKSA-N 2 2 267.373 0.106 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CCC[C@H](C)O ZINC001149123515 840429251 /nfs/dbraw/zinc/42/92/51/840429251.db2.gz KIMVVKWGBPDMIU-JTQLQIEISA-N 2 2 268.361 0.127 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)[nH]2)C1 ZINC001186487169 844553560 /nfs/dbraw/zinc/55/35/60/844553560.db2.gz HVXNMGDKGMFUEE-GFCCVEGCSA-N 2 2 294.403 0.145 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[N@@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000234817317 840685328 /nfs/dbraw/zinc/68/53/28/840685328.db2.gz DNMQFSZZEWNWEQ-RQJABVFESA-N 2 2 274.405 0.458 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[N@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000234817317 840685332 /nfs/dbraw/zinc/68/53/32/840685332.db2.gz DNMQFSZZEWNWEQ-RQJABVFESA-N 2 2 274.405 0.458 20 0 CCADLP C[C@H]1C[C@@H](C[NH2+]CCNC(=O)Cc2c[nH+]cn2C)CCO1 ZINC001147871863 840708040 /nfs/dbraw/zinc/70/80/40/840708040.db2.gz PIPDRRYMXFVNEM-STQMWFEESA-N 2 2 294.399 0.484 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH2+]CCNC(=O)Cc2c[nH+]cn2C)O1 ZINC001147871626 840708527 /nfs/dbraw/zinc/70/85/27/840708527.db2.gz FKKKXCIDBHUJBT-YPMHNXCESA-N 2 2 280.372 0.236 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)C[C@H]2CC[N@@H+](C)C2)oc1C ZINC001147877182 840712065 /nfs/dbraw/zinc/71/20/65/840712065.db2.gz FPYOUPVVCRWEPX-CYBMUJFWSA-N 2 2 294.399 0.839 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)C[C@H]2CC[N@H+](C)C2)oc1C ZINC001147877182 840712074 /nfs/dbraw/zinc/71/20/74/840712074.db2.gz FPYOUPVVCRWEPX-CYBMUJFWSA-N 2 2 294.399 0.839 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1nnc(CC)s1 ZINC001148638450 840874482 /nfs/dbraw/zinc/87/44/82/840874482.db2.gz HQXFDTYJCTZIBZ-UHFFFAOYSA-N 2 2 299.444 0.648 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1nnc(CC)s1 ZINC001148638450 840874488 /nfs/dbraw/zinc/87/44/88/840874488.db2.gz HQXFDTYJCTZIBZ-UHFFFAOYSA-N 2 2 299.444 0.648 20 0 CCADLP CC[C@@H](C[NH2+]CCNC(=O)CCc1c[nH+]cn1C)OC ZINC001149571320 840964006 /nfs/dbraw/zinc/96/40/06/840964006.db2.gz YBCULVBKAYUSEL-ZDUSSCGKSA-N 2 2 282.388 0.484 20 0 CCADLP C[C@H](F)CC[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149571156 840964031 /nfs/dbraw/zinc/96/40/31/840964031.db2.gz QXTCFJUKRPNZKZ-NSHDSACASA-N 2 2 270.352 0.807 20 0 CCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@H+](CCCO)C2 ZINC001092319192 841008047 /nfs/dbraw/zinc/00/80/47/841008047.db2.gz LOKLAJRMVHMBAA-HIFRSBDPSA-N 2 2 292.383 0.046 20 0 CCADLP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@H]1C[N@@H+](CCCO)C2 ZINC001092319192 841008059 /nfs/dbraw/zinc/00/80/59/841008059.db2.gz LOKLAJRMVHMBAA-HIFRSBDPSA-N 2 2 292.383 0.046 20 0 CCADLP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CC[NH+](CCO)CC1 ZINC000713020822 841117621 /nfs/dbraw/zinc/11/76/21/841117621.db2.gz GHCHCMJKGKUDLL-LBPRGKRZSA-N 2 2 271.405 0.132 20 0 CCADLP O=C1CCC(=O)N1CC[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000713231703 841125705 /nfs/dbraw/zinc/12/57/05/841125705.db2.gz GQRHFOTUBDIVOR-UHFFFAOYSA-N 2 2 265.357 0.353 20 0 CCADLP O=C1CCC(=O)N1CC[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713231703 841125709 /nfs/dbraw/zinc/12/57/09/841125709.db2.gz GQRHFOTUBDIVOR-UHFFFAOYSA-N 2 2 265.357 0.353 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)CCO1 ZINC000715013075 841244421 /nfs/dbraw/zinc/24/44/21/841244421.db2.gz YDURBLOYIDDBQF-HZSPNIEDSA-N 2 2 281.400 0.308 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)CCO1 ZINC000715013075 841244428 /nfs/dbraw/zinc/24/44/28/841244428.db2.gz YDURBLOYIDDBQF-HZSPNIEDSA-N 2 2 281.400 0.308 20 0 CCADLP COCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC001036830762 841337449 /nfs/dbraw/zinc/33/74/49/841337449.db2.gz ZYRLQUKJSJHUSR-TZMCWYRMSA-N 2 2 292.383 0.521 20 0 CCADLP COCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC001036830762 841337462 /nfs/dbraw/zinc/33/74/62/841337462.db2.gz ZYRLQUKJSJHUSR-TZMCWYRMSA-N 2 2 292.383 0.521 20 0 CCADLP CC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]cn3C)CC[C@@H]21 ZINC001036869476 841431682 /nfs/dbraw/zinc/43/16/82/841431682.db2.gz FEGYOBGAYJYBPN-JSGCOSHPSA-N 2 2 276.384 0.905 20 0 CCADLP CC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]cn3C)CC[C@@H]21 ZINC001036869476 841431687 /nfs/dbraw/zinc/43/16/87/841431687.db2.gz FEGYOBGAYJYBPN-JSGCOSHPSA-N 2 2 276.384 0.905 20 0 CCADLP C[C@H]([NH2+][C@@H]1CC(=O)N(CC2CC2)C1)[C@@H]1CCC[NH2+]1 ZINC000716782731 841680585 /nfs/dbraw/zinc/68/05/85/841680585.db2.gz XAHZSONWJJRGHK-UHTWSYAYSA-N 2 2 251.374 0.727 20 0 CCADLP COCC[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC001036909263 841686330 /nfs/dbraw/zinc/68/63/30/841686330.db2.gz BQWKNHJMBJJMAX-KBPBESRZSA-N 2 2 292.383 0.452 20 0 CCADLP COCC[N@H+]1CC[C@H]2CN(C(=O)Cn3cc[nH+]c3)CC[C@@H]21 ZINC001036909263 841686336 /nfs/dbraw/zinc/68/63/36/841686336.db2.gz BQWKNHJMBJJMAX-KBPBESRZSA-N 2 2 292.383 0.452 20 0 CCADLP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172006902 841787141 /nfs/dbraw/zinc/78/71/41/841787141.db2.gz RGVQWBTUDNDVRW-ZYHUDNBSSA-N 2 2 283.372 0.010 20 0 CCADLP CCN1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCOCC3)C2)CC1=O ZINC001172032161 841809783 /nfs/dbraw/zinc/80/97/83/841809783.db2.gz MLXYHMWCADTZGU-KGLIPLIRSA-N 2 2 295.427 0.840 20 0 CCADLP CCN1CC[C@@H]([NH2+][C@H]2CC[N@H+](C3CCOCC3)C2)CC1=O ZINC001172032161 841809796 /nfs/dbraw/zinc/80/97/96/841809796.db2.gz MLXYHMWCADTZGU-KGLIPLIRSA-N 2 2 295.427 0.840 20 0 CCADLP CCN1CC[C@H]([NH2+]C2(CO)CC[NH+](C)CC2)CC1=O ZINC001172042816 841821059 /nfs/dbraw/zinc/82/10/59/841821059.db2.gz NWFLTIIVISMDRH-LBPRGKRZSA-N 2 2 269.389 0.044 20 0 CCADLP COCCn1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cn1 ZINC001206173571 841956557 /nfs/dbraw/zinc/95/65/57/841956557.db2.gz IHRVTUOYNSVQRI-QWHCGFSZSA-N 2 2 270.352 0.791 20 0 CCADLP COCCn1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)cn1 ZINC001206173571 841956562 /nfs/dbraw/zinc/95/65/62/841956562.db2.gz IHRVTUOYNSVQRI-QWHCGFSZSA-N 2 2 270.352 0.791 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C[C@@H]1C(=O)OC ZINC001173564921 842101685 /nfs/dbraw/zinc/10/16/85/842101685.db2.gz MYJTWVXYWAWMNR-RVMXOQNASA-N 2 2 298.383 0.411 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C[C@@H]1C(=O)OC ZINC001173564921 842101694 /nfs/dbraw/zinc/10/16/94/842101694.db2.gz MYJTWVXYWAWMNR-RVMXOQNASA-N 2 2 298.383 0.411 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC001174683250 842199898 /nfs/dbraw/zinc/19/98/98/842199898.db2.gz RWLYBNANUFPTMP-DGCLKSJQSA-N 2 2 294.399 0.924 20 0 CCADLP COCCOC[C@H](O)C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001176976418 842475991 /nfs/dbraw/zinc/47/59/91/842475991.db2.gz CFOHAGKBERBZLN-CQSZACIVSA-N 2 2 297.399 0.623 20 0 CCADLP CC[C@@H]([NH2+]CCCNC(=O)CCCn1cc[nH+]c1)C(N)=O ZINC001177351599 842562877 /nfs/dbraw/zinc/56/28/77/842562877.db2.gz JJJCMKOPDUCQOB-GFCCVEGCSA-N 2 2 295.387 0.023 20 0 CCADLP CO[C@H](C)C[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177405147 842578208 /nfs/dbraw/zinc/57/82/08/842578208.db2.gz KVUGCWFWIQMNGN-LLVKDONJSA-N 2 2 254.334 0.014 20 0 CCADLP CCCC[C@@H]([NH2+]CCCNC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001177411303 842585564 /nfs/dbraw/zinc/58/55/64/842585564.db2.gz DVQSGSMMHQPLBX-GFCCVEGCSA-N 2 2 295.387 0.023 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H](CC[NH+](C)C)C1 ZINC001177532274 842623917 /nfs/dbraw/zinc/62/39/17/842623917.db2.gz LNOMSULVRGTHKM-GFCCVEGCSA-N 2 2 264.373 0.763 20 0 CCADLP CC(C)=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001178414030 842845016 /nfs/dbraw/zinc/84/50/16/842845016.db2.gz DBMVGUJQOIMZOQ-KKUMJFAQSA-N 2 2 295.427 0.862 20 0 CCADLP CC(C)=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001178414030 842845025 /nfs/dbraw/zinc/84/50/25/842845025.db2.gz DBMVGUJQOIMZOQ-KKUMJFAQSA-N 2 2 295.427 0.862 20 0 CCADLP C[C@H]([NH2+]Cc1c[nH+]ccc1N(C)C)C(=O)N(C)C ZINC001178647618 842890085 /nfs/dbraw/zinc/89/00/85/842890085.db2.gz ODAGJBBDBAEFDB-JTQLQIEISA-N 2 2 250.346 0.714 20 0 CCADLP COCCCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C ZINC001179617813 843028020 /nfs/dbraw/zinc/02/80/20/843028020.db2.gz RYCODNUSEJWCFX-JSGCOSHPSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@@H](O)C[NH2+]CCCCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001179902770 843087445 /nfs/dbraw/zinc/08/74/45/843087445.db2.gz QGKGNZAISURFEP-GFCCVEGCSA-N 2 2 282.388 0.599 20 0 CCADLP C[N@H+](CC(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1)C1CCCC1 ZINC001180629954 843232744 /nfs/dbraw/zinc/23/27/44/843232744.db2.gz GUAOAOGHXAOOIY-GFCCVEGCSA-N 2 2 280.372 0.304 20 0 CCADLP C[N@@H+](CC(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1)C1CCCC1 ZINC001180629954 843232751 /nfs/dbraw/zinc/23/27/51/843232751.db2.gz GUAOAOGHXAOOIY-GFCCVEGCSA-N 2 2 280.372 0.304 20 0 CCADLP C[N@H+](CC(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1)C1CCCC1 ZINC001180629954 843232759 /nfs/dbraw/zinc/23/27/59/843232759.db2.gz GUAOAOGHXAOOIY-GFCCVEGCSA-N 2 2 280.372 0.304 20 0 CCADLP C[N@@H+](CC(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1)C1CCCC1 ZINC001180629954 843232766 /nfs/dbraw/zinc/23/27/66/843232766.db2.gz GUAOAOGHXAOOIY-GFCCVEGCSA-N 2 2 280.372 0.304 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001180760547 843286428 /nfs/dbraw/zinc/28/64/28/843286428.db2.gz WJYKPBIKYCVCOO-LBPRGKRZSA-N 2 2 269.389 0.260 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001180760547 843286436 /nfs/dbraw/zinc/28/64/36/843286436.db2.gz WJYKPBIKYCVCOO-LBPRGKRZSA-N 2 2 269.389 0.260 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2nc(C3CC3)no2)C1 ZINC001151049369 843550453 /nfs/dbraw/zinc/55/04/53/843550453.db2.gz MSEXBQVOENMNDW-NSHDSACASA-N 2 2 293.371 0.105 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)NCC[NH2+]Cc2nc(C3CC3)no2)C1 ZINC001151049369 843550461 /nfs/dbraw/zinc/55/04/61/843550461.db2.gz MSEXBQVOENMNDW-NSHDSACASA-N 2 2 293.371 0.105 20 0 CCADLP CC[N@@H+]1CCCC[C@@H]1C(=O)NC(=N)SCC[NH3+] ZINC001181996847 843668856 /nfs/dbraw/zinc/66/88/56/843668856.db2.gz NZGIFFSDDNUYHP-SECBINFHSA-N 2 2 258.391 0.604 20 0 CCADLP CC[N@H+]1CCCC[C@@H]1C(=O)NC(=N)SCC[NH3+] ZINC001181996847 843668859 /nfs/dbraw/zinc/66/88/59/843668859.db2.gz NZGIFFSDDNUYHP-SECBINFHSA-N 2 2 258.391 0.604 20 0 CCADLP COC[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001187092593 844649847 /nfs/dbraw/zinc/64/98/47/844649847.db2.gz XUMNSGVBCLKSBC-NWDGAFQWSA-N 2 2 280.372 0.188 20 0 CCADLP C[NH+](C)C1(CNC(=O)NCC(F)(F)F)CC[NH+](C)CC1 ZINC001187101670 844651170 /nfs/dbraw/zinc/65/11/70/844651170.db2.gz RNUMXQIPNGQLBC-UHFFFAOYSA-N 2 2 296.337 0.874 20 0 CCADLP COCCCCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001188368608 844874848 /nfs/dbraw/zinc/87/48/48/844874848.db2.gz FFTSMVXWNJXPQX-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP CO[C@H](C)C[N@H+](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001190546377 845424173 /nfs/dbraw/zinc/42/41/73/845424173.db2.gz GONLZWKJZUOAHU-OCCSQVGLSA-N 2 2 294.399 0.910 20 0 CCADLP CO[C@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001190546377 845424180 /nfs/dbraw/zinc/42/41/80/845424180.db2.gz GONLZWKJZUOAHU-OCCSQVGLSA-N 2 2 294.399 0.910 20 0 CCADLP CO[C@H](C)C[N@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001190546377 845424185 /nfs/dbraw/zinc/42/41/85/845424185.db2.gz GONLZWKJZUOAHU-OCCSQVGLSA-N 2 2 294.399 0.910 20 0 CCADLP CO[C@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001190546377 845424188 /nfs/dbraw/zinc/42/41/88/845424188.db2.gz GONLZWKJZUOAHU-OCCSQVGLSA-N 2 2 294.399 0.910 20 0 CCADLP C[C@H](CC(=O)N1CC[C@H]([N@H+](C)CCCO)C1)n1cc[nH+]c1 ZINC001192578009 845878292 /nfs/dbraw/zinc/87/82/92/845878292.db2.gz LDVQARQRLONSRH-KGLIPLIRSA-N 2 2 294.399 0.749 20 0 CCADLP C[C@H](CC(=O)N1CC[C@H]([N@@H+](C)CCCO)C1)n1cc[nH+]c1 ZINC001192578009 845878297 /nfs/dbraw/zinc/87/82/97/845878297.db2.gz LDVQARQRLONSRH-KGLIPLIRSA-N 2 2 294.399 0.749 20 0 CCADLP COCCCC[N@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193047281 845963918 /nfs/dbraw/zinc/96/39/18/845963918.db2.gz DTPWEHJUOXEMAQ-CYBMUJFWSA-N 2 2 294.399 0.912 20 0 CCADLP COCCCC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001193047281 845963924 /nfs/dbraw/zinc/96/39/24/845963924.db2.gz DTPWEHJUOXEMAQ-CYBMUJFWSA-N 2 2 294.399 0.912 20 0 CCADLP C[NH+](C)CC(C)(C)C[N@@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205664870 846293207 /nfs/dbraw/zinc/29/32/07/846293207.db2.gz PELAOQLAAWKHLQ-CQSZACIVSA-N 3 2 257.422 0.750 20 0 CCADLP C[NH+](C)CC(C)(C)C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205664870 846293221 /nfs/dbraw/zinc/29/32/21/846293221.db2.gz PELAOQLAAWKHLQ-CQSZACIVSA-N 3 2 257.422 0.750 20 0 CCADLP C[N@@H+]1CCC12CN(C(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001273677480 846294256 /nfs/dbraw/zinc/29/42/56/846294256.db2.gz QBLQTJOCHMREHH-UHFFFAOYSA-N 2 2 283.335 0.797 20 0 CCADLP C[N@H+]1CCC12CN(C(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001273677480 846294266 /nfs/dbraw/zinc/29/42/66/846294266.db2.gz QBLQTJOCHMREHH-UHFFFAOYSA-N 2 2 283.335 0.797 20 0 CCADLP CCOCCC[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194460754 846297222 /nfs/dbraw/zinc/29/72/22/846297222.db2.gz RPGKMENMYRKYEM-AWEZNQCLSA-N 2 2 294.399 0.842 20 0 CCADLP CCOCCC[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194460754 846297231 /nfs/dbraw/zinc/29/72/31/846297231.db2.gz RPGKMENMYRKYEM-AWEZNQCLSA-N 2 2 294.399 0.842 20 0 CCADLP C[NH+](C)C1(CNC(=O)OCCF)CC[NH+](C)CC1 ZINC001194980875 846434525 /nfs/dbraw/zinc/43/45/25/846434525.db2.gz ZCDNFIOAKQWELB-UHFFFAOYSA-N 2 2 261.341 0.708 20 0 CCADLP COc1ccc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)c(OC)n1 ZINC001205683038 846441800 /nfs/dbraw/zinc/44/18/00/846441800.db2.gz WQHZXGXCIWPPOP-HNNXBMFYSA-N 2 2 295.383 0.775 20 0 CCADLP COc1ccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c(OC)n1 ZINC001205683038 846441806 /nfs/dbraw/zinc/44/18/06/846441806.db2.gz WQHZXGXCIWPPOP-HNNXBMFYSA-N 2 2 295.383 0.775 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](CC2(F)CC[NH2+]CC2)CCC1(F)F ZINC001205764533 846716347 /nfs/dbraw/zinc/71/63/47/846716347.db2.gz WXEJTGVEXXLHEP-JTQLQIEISA-N 3 2 265.323 0.994 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CC2(F)CC[NH2+]CC2)CCC1(F)F ZINC001205764533 846716349 /nfs/dbraw/zinc/71/63/49/846716349.db2.gz WXEJTGVEXXLHEP-JTQLQIEISA-N 3 2 265.323 0.994 20 0 CCADLP CCOCC[N@@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001197269560 846889698 /nfs/dbraw/zinc/88/96/98/846889698.db2.gz PEPAKYBSKLMQTK-UHFFFAOYSA-N 2 2 280.372 0.523 20 0 CCADLP C[NH+]1CCN(c2cc[nH+]cc2C(=O)NC2CC(=O)C2)CC1 ZINC001199361739 847309873 /nfs/dbraw/zinc/30/98/73/847309873.db2.gz UWOFXYWWIKBNQP-UHFFFAOYSA-N 2 2 288.351 0.295 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CCC([NH2+]CCCO)CC1 ZINC001200290915 847599307 /nfs/dbraw/zinc/59/93/07/847599307.db2.gz GGBGSCHIQFMRJM-UHFFFAOYSA-N 2 2 280.372 0.305 20 0 CCADLP CCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCCO1 ZINC001200655042 847678806 /nfs/dbraw/zinc/67/88/06/847678806.db2.gz RRFROPIOBUVFOW-CQSZACIVSA-N 2 2 294.399 0.959 20 0 CCADLP CCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCCO1 ZINC001200655042 847678811 /nfs/dbraw/zinc/67/88/11/847678811.db2.gz RRFROPIOBUVFOW-CQSZACIVSA-N 2 2 294.399 0.959 20 0 CCADLP C[NH+]1CCN(C(=O)c2ccc(-n3c[nH+]cc3N)cc2)CC1 ZINC001201603137 847796504 /nfs/dbraw/zinc/79/65/04/847796504.db2.gz BQCJGUZWMYLWOC-UHFFFAOYSA-N 2 2 285.351 0.842 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCCO[C@H](C[NH2+]CCCF)C1 ZINC001202217298 847869933 /nfs/dbraw/zinc/86/99/33/847869933.db2.gz PATMCLZPSPZMJO-CYBMUJFWSA-N 2 2 298.362 0.450 20 0 CCADLP CC(C)[C@H](C[NH+](C)C)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865800933 848040459 /nfs/dbraw/zinc/04/04/59/848040459.db2.gz TZBDTQBAKYHAOB-GJBLVYBDSA-N 2 2 283.416 0.577 20 0 CCADLP C[N@@H+]1CCC[C@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253403286 848207754 /nfs/dbraw/zinc/20/77/54/848207754.db2.gz CLONGHHXIGIMQO-STQMWFEESA-N 3 2 257.422 0.809 20 0 CCADLP C[N@H+]1CCC[C@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253403286 848207763 /nfs/dbraw/zinc/20/77/63/848207763.db2.gz CLONGHHXIGIMQO-STQMWFEESA-N 3 2 257.422 0.809 20 0 CCADLP CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001274143431 848359555 /nfs/dbraw/zinc/35/95/55/848359555.db2.gz SBZNWYGMWNABDH-VSQXVHSFSA-N 2 2 262.357 0.727 20 0 CCADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CCCO ZINC001279172238 848581733 /nfs/dbraw/zinc/58/17/33/848581733.db2.gz VNISQOTYLZIRPV-NWDGAFQWSA-N 2 2 280.372 0.019 20 0 CCADLP COCCC[NH+]1CC2(CCN2CCn2cc[nH+]c2)C1 ZINC001274939391 848598899 /nfs/dbraw/zinc/59/88/99/848598899.db2.gz ICRBEGTZFXECPI-UHFFFAOYSA-N 2 2 264.373 0.680 20 0 CCADLP CN(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn[nH]c1 ZINC001275211274 848665176 /nfs/dbraw/zinc/66/51/76/848665176.db2.gz NPCNCQNCFPSDBP-AGUYFDCRSA-N 2 2 291.399 0.583 20 0 CCADLP CN(C)C(=O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn[nH]c1 ZINC001275211274 848665184 /nfs/dbraw/zinc/66/51/84/848665184.db2.gz NPCNCQNCFPSDBP-AGUYFDCRSA-N 2 2 291.399 0.583 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)C[N@H+](C)CCO ZINC001275673050 848788449 /nfs/dbraw/zinc/78/84/49/848788449.db2.gz ONVIBYPCPCNFCU-MNOVXSKESA-N 2 2 268.361 0.017 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)C[N@@H+](C)CCO ZINC001275673050 848788451 /nfs/dbraw/zinc/78/84/51/848788451.db2.gz ONVIBYPCPCNFCU-MNOVXSKESA-N 2 2 268.361 0.017 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)C[N@H+](C)CCO ZINC001275673050 848788456 /nfs/dbraw/zinc/78/84/56/848788456.db2.gz ONVIBYPCPCNFCU-MNOVXSKESA-N 2 2 268.361 0.017 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)C[N@@H+](C)CCO ZINC001275673050 848788464 /nfs/dbraw/zinc/78/84/64/848788464.db2.gz ONVIBYPCPCNFCU-MNOVXSKESA-N 2 2 268.361 0.017 20 0 CCADLP C[C@H]1C[C@H]1C[N@H+]1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001276034171 848899986 /nfs/dbraw/zinc/89/99/86/848899986.db2.gz XWIDYGQXSQXGQK-JONQDZQNSA-N 2 2 290.411 0.924 20 0 CCADLP C[C@H]1C[C@H]1C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001276034171 848899991 /nfs/dbraw/zinc/89/99/91/848899991.db2.gz XWIDYGQXSQXGQK-JONQDZQNSA-N 2 2 290.411 0.924 20 0 CCADLP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3cncs3)C[C@H]21 ZINC001276058534 848912560 /nfs/dbraw/zinc/91/25/60/848912560.db2.gz DHQZUXSJDSYSRE-KGLIPLIRSA-N 2 2 296.440 0.590 20 0 CCADLP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3cncs3)C[C@H]21 ZINC001276058534 848912568 /nfs/dbraw/zinc/91/25/68/848912568.db2.gz DHQZUXSJDSYSRE-KGLIPLIRSA-N 2 2 296.440 0.590 20 0 CCADLP CC[NH2+]CCCN(C)C(=O)CCc1[nH+]ccn1C ZINC001276144666 848938158 /nfs/dbraw/zinc/93/81/58/848938158.db2.gz ZXJFVJZMAQGUFO-UHFFFAOYSA-N 2 2 252.362 0.811 20 0 CCADLP C[N@H+](CCn1cccn1)C[C@H](O)C[NH+]1CCCC1 ZINC000687539134 849105933 /nfs/dbraw/zinc/10/59/33/849105933.db2.gz HETXXGUKSCOQDA-ZDUSSCGKSA-N 2 2 252.362 0.272 20 0 CCADLP C[N@@H+](CCn1cccn1)C[C@H](O)C[NH+]1CCCC1 ZINC000687539134 849105937 /nfs/dbraw/zinc/10/59/37/849105937.db2.gz HETXXGUKSCOQDA-ZDUSSCGKSA-N 2 2 252.362 0.272 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)OCCC[NH+]1CCN(C)CC1 ZINC001206589918 849137739 /nfs/dbraw/zinc/13/77/39/849137739.db2.gz IFWVUBJDMFCLAP-OAHLLOKOSA-N 2 2 285.432 0.361 20 0 CCADLP CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001037100465 849333497 /nfs/dbraw/zinc/33/34/97/849333497.db2.gz JIYLYGVHMHYGCT-QWRGUYRKSA-N 2 2 250.346 0.847 20 0 CCADLP COC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1 ZINC001114652460 849347021 /nfs/dbraw/zinc/34/70/21/849347021.db2.gz NJJUZSOGJZGNEA-RMRHIDDWSA-N 2 2 292.383 0.355 20 0 CCADLP COC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1 ZINC001114652460 849347027 /nfs/dbraw/zinc/34/70/27/849347027.db2.gz 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ZINC001073979253 854666609 /nfs/dbraw/zinc/66/66/09/854666609.db2.gz SPCCXWHPDQDQPN-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001073979253 854666612 /nfs/dbraw/zinc/66/66/12/854666612.db2.gz SPCCXWHPDQDQPN-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001073979253 854666613 /nfs/dbraw/zinc/66/66/13/854666613.db2.gz SPCCXWHPDQDQPN-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP CC[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001074297922 854707788 /nfs/dbraw/zinc/70/77/88/854707788.db2.gz WRHBSNYDWZWKPL-UONOGXRCSA-N 2 2 292.383 0.513 20 0 CCADLP CC[N@H+]1CCO[C@@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@@H]21 ZINC001074297922 854707791 /nfs/dbraw/zinc/70/77/91/854707791.db2.gz WRHBSNYDWZWKPL-UONOGXRCSA-N 2 2 292.383 0.513 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001074718235 854770276 /nfs/dbraw/zinc/77/02/76/854770276.db2.gz DAHJHCNZNXYTGG-XQQFMLRXSA-N 2 2 292.383 0.017 20 0 CCADLP C[C@H]1[C@@H]([NH2+]C[C@@H]2CCOC2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001074918374 854799256 /nfs/dbraw/zinc/79/92/56/854799256.db2.gz KPUWIZHRWFJBJK-OBJOEFQTSA-N 2 2 292.383 0.568 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](C)O ZINC001098286691 854855363 /nfs/dbraw/zinc/85/53/63/854855363.db2.gz MPGUTXXGMBZXNE-FRJFDASCSA-N 2 2 292.383 0.363 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](C)O ZINC001098286691 854855364 /nfs/dbraw/zinc/85/53/64/854855364.db2.gz MPGUTXXGMBZXNE-FRJFDASCSA-N 2 2 292.383 0.363 20 0 CCADLP CCCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001099872702 855012965 /nfs/dbraw/zinc/01/29/65/855012965.db2.gz YPUQTESJFJXITA-UONOGXRCSA-N 2 2 294.399 0.694 20 0 CCADLP CCCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001099872702 855012969 /nfs/dbraw/zinc/01/29/69/855012969.db2.gz YPUQTESJFJXITA-UONOGXRCSA-N 2 2 294.399 0.694 20 0 CCADLP CCCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](O)C1 ZINC001099872702 855012971 /nfs/dbraw/zinc/01/29/71/855012971.db2.gz YPUQTESJFJXITA-UONOGXRCSA-N 2 2 294.399 0.694 20 0 CCADLP CCCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H](O)C1 ZINC001099872702 855012975 /nfs/dbraw/zinc/01/29/75/855012975.db2.gz YPUQTESJFJXITA-UONOGXRCSA-N 2 2 294.399 0.694 20 0 CCADLP COC[C@@H](C)[NH2+]C1CC(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001100294246 855140030 /nfs/dbraw/zinc/14/00/30/855140030.db2.gz MUPBSPMMJJVDQY-PNESKVBLSA-N 2 2 294.399 0.862 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC1CC([NH2+]CC2CC2)C1 ZINC001100706381 855213027 /nfs/dbraw/zinc/21/30/27/855213027.db2.gz FAMNVQIBGORPFO-UHFFFAOYSA-N 2 2 262.357 0.847 20 0 CCADLP CCOCC[NH2+]C1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001100791686 855226415 /nfs/dbraw/zinc/22/64/15/855226415.db2.gz QDUBYNWGWLXDNU-UHFFFAOYSA-N 2 2 280.372 0.473 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1C ZINC001102531826 855444029 /nfs/dbraw/zinc/44/40/29/855444029.db2.gz HSIXTMQEMBFUPS-NTZNESFSSA-N 2 2 294.399 0.326 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1C ZINC001102531826 855444032 /nfs/dbraw/zinc/44/40/32/855444032.db2.gz HSIXTMQEMBFUPS-NTZNESFSSA-N 2 2 294.399 0.326 20 0 CCADLP O=C(N[C@H]1CCn2c[nH+]cc2C1)C12CC[NH+](CC1)C2 ZINC001119654060 856818748 /nfs/dbraw/zinc/81/87/48/856818748.db2.gz OXUNXNWDVBDTMH-NSHDSACASA-N 2 2 260.341 0.410 20 0 CCADLP CCOC[C@H](O)C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001120472325 857081784 /nfs/dbraw/zinc/08/17/84/857081784.db2.gz KEOXSGBIYPRXRV-HZSPNIEDSA-N 2 2 256.390 0.990 20 0 CCADLP CCOC[C@H](O)C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001120472325 857081789 /nfs/dbraw/zinc/08/17/89/857081789.db2.gz KEOXSGBIYPRXRV-HZSPNIEDSA-N 2 2 256.390 0.990 20 0 CCADLP CC[C@@H](C(=O)N(C)C1C[NH+](CCC[C@H](C)O)C1)[NH+](C)C ZINC001393012703 912329935 /nfs/dbraw/zinc/32/99/35/912329935.db2.gz XEBGIFKXSGCROG-JSGCOSHPSA-N 2 2 285.432 0.630 20 0 CCADLP CC[C@@H](C(=O)N[C@@]1(C)CC[N@H+](CC(N)=O)C1)[NH+](CC)CC ZINC001393108434 912396156 /nfs/dbraw/zinc/39/61/56/912396156.db2.gz AATSPELHORUGPB-WFASDCNBSA-N 2 2 298.431 0.173 20 0 CCADLP CC[C@@H](C(=O)N[C@@]1(C)CC[N@@H+](CC(N)=O)C1)[NH+](CC)CC ZINC001393108434 912396167 /nfs/dbraw/zinc/39/61/67/912396167.db2.gz AATSPELHORUGPB-WFASDCNBSA-N 2 2 298.431 0.173 20 0 CCADLP C[C@@H](F)CC[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001323554252 912410830 /nfs/dbraw/zinc/41/08/30/912410830.db2.gz FCMYEZJKRCMDDB-SNVBAGLBSA-N 2 2 268.336 0.939 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1CNCc1ncc(C[NH+](C)C)s1 ZINC001324351887 912795636 /nfs/dbraw/zinc/79/56/36/912795636.db2.gz XBZBCEMPGQLYLV-LBPRGKRZSA-N 2 2 297.472 0.540 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1CNCc1ncc(C[NH+](C)C)s1 ZINC001324351887 912795648 /nfs/dbraw/zinc/79/56/48/912795648.db2.gz XBZBCEMPGQLYLV-LBPRGKRZSA-N 2 2 297.472 0.540 20 0 CCADLP Cc1cc(C[N@H+](C)CCCN2CC[NH+](C)CC2)[nH]n1 ZINC001324442304 912847007 /nfs/dbraw/zinc/84/70/07/912847007.db2.gz KUXVSURTPMSADH-UHFFFAOYSA-N 2 2 265.405 0.787 20 0 CCADLP Cc1cc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)[nH]n1 ZINC001324442304 912847024 /nfs/dbraw/zinc/84/70/24/912847024.db2.gz KUXVSURTPMSADH-UHFFFAOYSA-N 2 2 265.405 0.787 20 0 CCADLP Cc1noc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCC[NH+](C)C)n1 ZINC001393961590 912878424 /nfs/dbraw/zinc/87/84/24/912878424.db2.gz HWWSTKGGZLHNBE-GHMZBOCLSA-N 2 2 297.403 0.703 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H](C[NH2+]CCCO)C1CCCC1 ZINC001324517960 912886098 /nfs/dbraw/zinc/88/60/98/912886098.db2.gz NOYNFAMRNPBEEQ-CQSZACIVSA-N 2 2 294.399 0.530 20 0 CCADLP CC[C@@H](C)C[NH2+][C@@H](CO)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001394647883 913341420 /nfs/dbraw/zinc/34/14/20/913341420.db2.gz PEZHLTMLANUDKS-ZYHUDNBSSA-N 2 2 282.388 0.373 20 0 CCADLP CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1csnn1)[NH+](C)C ZINC001419720291 892063889 /nfs/dbraw/zinc/06/38/89/892063889.db2.gz LOSJAPOLEAGJNZ-PWSUYJOCSA-N 2 2 299.444 0.815 20 0 CCADLP Cc1conc1C[NH2+]CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001481315353 892567626 /nfs/dbraw/zinc/56/76/26/892567626.db2.gz XDDHNWCKWGKTIJ-UHFFFAOYSA-N 2 2 291.355 0.736 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001481433699 892656262 /nfs/dbraw/zinc/65/62/62/892656262.db2.gz AENPHWVCMXBEHW-CHWSQXEVSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@@H](CCNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001481433699 892656271 /nfs/dbraw/zinc/65/62/71/892656271.db2.gz AENPHWVCMXBEHW-CHWSQXEVSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001481433699 892656279 /nfs/dbraw/zinc/65/62/79/892656279.db2.gz AENPHWVCMXBEHW-CHWSQXEVSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@@H](CCNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001481433699 892656290 /nfs/dbraw/zinc/65/62/90/892656290.db2.gz AENPHWVCMXBEHW-CHWSQXEVSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](O)C[N@H+](C)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001481507820 892757010 /nfs/dbraw/zinc/75/70/10/892757010.db2.gz BMANKTRGFMULLY-STQMWFEESA-N 2 2 280.372 0.044 20 0 CCADLP C[C@H](O)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001481507820 892757014 /nfs/dbraw/zinc/75/70/14/892757014.db2.gz BMANKTRGFMULLY-STQMWFEESA-N 2 2 280.372 0.044 20 0 CCADLP CC(C)OCC[NH+]1CC(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001481564670 892832577 /nfs/dbraw/zinc/83/25/77/892832577.db2.gz ZIUAKLWARYMRDG-UHFFFAOYSA-N 2 2 283.416 0.696 20 0 CCADLP CC(C)OCC[NH+]1CC(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001481564670 892832594 /nfs/dbraw/zinc/83/25/94/892832594.db2.gz ZIUAKLWARYMRDG-UHFFFAOYSA-N 2 2 283.416 0.696 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@](C)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001481943492 893284345 /nfs/dbraw/zinc/28/43/45/893284345.db2.gz HZELXEDZPXCNDQ-ABAIWWIYSA-N 2 2 294.399 0.862 20 0 CCADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[N@@H+](C2CC2)C1 ZINC001362944187 893657704 /nfs/dbraw/zinc/65/77/04/893657704.db2.gz ODNUOBSDLSAWBE-GFCCVEGCSA-N 2 2 276.384 0.905 20 0 CCADLP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[N@H+](C2CC2)C1 ZINC001362944187 893657711 /nfs/dbraw/zinc/65/77/11/893657711.db2.gz ODNUOBSDLSAWBE-GFCCVEGCSA-N 2 2 276.384 0.905 20 0 CCADLP CCOCC[NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001482348806 893902948 /nfs/dbraw/zinc/90/29/48/893902948.db2.gz RMYHUSUNULHZGS-NSHDSACASA-N 2 2 268.361 0.425 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001482434165 893978163 /nfs/dbraw/zinc/97/81/63/893978163.db2.gz VSLXJPQADRPXNA-NEPJUHHUSA-N 2 2 280.372 0.425 20 0 CCADLP C[C@H](O)C[NH2+][C@@H](C)CN(C)C(=O)CCCn1cc[nH+]c1 ZINC001423180506 894146469 /nfs/dbraw/zinc/14/64/69/894146469.db2.gz CKJKLGORTHHEIW-STQMWFEESA-N 2 2 282.388 0.481 20 0 CCADLP CN(CC[N@H+](C)C[C@H]1CCCCO1)C(=O)Cn1cc[nH+]c1 ZINC001482655163 894452191 /nfs/dbraw/zinc/45/21/91/894452191.db2.gz WLQOWNGFOLMWAT-CQSZACIVSA-N 2 2 294.399 0.842 20 0 CCADLP CN(CC[N@@H+](C)C[C@H]1CCCCO1)C(=O)Cn1cc[nH+]c1 ZINC001482655163 894452198 /nfs/dbraw/zinc/45/21/98/894452198.db2.gz WLQOWNGFOLMWAT-CQSZACIVSA-N 2 2 294.399 0.842 20 0 CCADLP CCCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001482743598 894562861 /nfs/dbraw/zinc/56/28/61/894562861.db2.gz FUKQQWQGKHHRDP-QWHCGFSZSA-N 2 2 294.399 0.312 20 0 CCADLP C[C@H](CNC(=O)c1cc(C[NH+](C)C)on1)[N@H+](C)CCF ZINC001505951339 894670527 /nfs/dbraw/zinc/67/05/27/894670527.db2.gz UDRLUSQJGLJFMA-SNVBAGLBSA-N 2 2 286.351 0.756 20 0 CCADLP C[C@H](CNC(=O)c1cc(C[NH+](C)C)on1)[N@@H+](C)CCF ZINC001505951339 894670536 /nfs/dbraw/zinc/67/05/36/894670536.db2.gz UDRLUSQJGLJFMA-SNVBAGLBSA-N 2 2 286.351 0.756 20 0 CCADLP CCN(CC[NH2+][C@@H](C)c1nc(C)no1)C(=O)CC[NH+](C)C ZINC001482948009 894723262 /nfs/dbraw/zinc/72/32/62/894723262.db2.gz OTSULHQTYCIJMB-NSHDSACASA-N 2 2 297.403 0.829 20 0 CCADLP Cc1cnc(C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C)o1 ZINC001483198146 895084838 /nfs/dbraw/zinc/08/48/38/895084838.db2.gz XYLPJJPZMLZNIF-LLVKDONJSA-N 2 2 282.388 0.918 20 0 CCADLP Cc1cnc(C[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)o1 ZINC001483198146 895084851 /nfs/dbraw/zinc/08/48/51/895084851.db2.gz XYLPJJPZMLZNIF-LLVKDONJSA-N 2 2 282.388 0.918 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)[nH]1 ZINC001409454904 895187826 /nfs/dbraw/zinc/18/78/26/895187826.db2.gz FRWFNGUNHSZSEZ-WDEREUQCSA-N 2 2 296.419 0.436 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)C(C)C)[nH]1 ZINC001409454904 895187840 /nfs/dbraw/zinc/18/78/40/895187840.db2.gz FRWFNGUNHSZSEZ-WDEREUQCSA-N 2 2 296.419 0.436 20 0 CCADLP CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001483242519 895370890 /nfs/dbraw/zinc/37/08/90/895370890.db2.gz LXTVIPYDSFXXCW-WDEREUQCSA-N 2 2 250.346 0.560 20 0 CCADLP CO[C@@H](C)C[N@H+](C)C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001483366855 895504344 /nfs/dbraw/zinc/50/43/44/895504344.db2.gz XPSBNVYQOJWEEF-OLZOCXBDSA-N 2 2 296.415 0.824 20 0 CCADLP CO[C@@H](C)C[N@@H+](C)C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001483366855 895504352 /nfs/dbraw/zinc/50/43/52/895504352.db2.gz XPSBNVYQOJWEEF-OLZOCXBDSA-N 2 2 296.415 0.824 20 0 CCADLP CO[C@H](C)C[N@H+](C)C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001483415925 895550992 /nfs/dbraw/zinc/55/09/92/895550992.db2.gz RLFHWACLTIYLPC-QWHCGFSZSA-N 2 2 296.415 0.824 20 0 CCADLP CO[C@H](C)C[N@@H+](C)C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001483415925 895551001 /nfs/dbraw/zinc/55/10/01/895551001.db2.gz RLFHWACLTIYLPC-QWHCGFSZSA-N 2 2 296.415 0.824 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@H]1C[NH2+]CCF ZINC001483932888 896124317 /nfs/dbraw/zinc/12/43/17/896124317.db2.gz SZDRWHGCKSCDRW-LBPRGKRZSA-N 2 2 268.336 0.892 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@H]1C[NH2+]CCF ZINC001483932888 896124327 /nfs/dbraw/zinc/12/43/27/896124327.db2.gz SZDRWHGCKSCDRW-LBPRGKRZSA-N 2 2 268.336 0.892 20 0 CCADLP CCCC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001484683198 896540851 /nfs/dbraw/zinc/54/08/51/896540851.db2.gz AQOZWGDZQRIWON-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP CC(C)OCC[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001485233231 896881695 /nfs/dbraw/zinc/88/16/95/896881695.db2.gz CQQREENVWTWHLD-CHWSQXEVSA-N 2 2 282.388 0.791 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@H]2C[C@H](C[NH3+])C2)c[nH+]1 ZINC001523524260 896944849 /nfs/dbraw/zinc/94/48/49/896944849.db2.gz AAHXDNWHEDYNMB-XYPYZODXSA-N 2 2 250.346 0.780 20 0 CCADLP CC1(C)C[C@]1(C)NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336944289 921119441 /nfs/dbraw/zinc/11/94/41/921119441.db2.gz WQYLQHATZLFNIW-AWEZNQCLSA-N 2 2 268.405 0.897 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC[NH+](C)CC1 ZINC001326741086 914132067 /nfs/dbraw/zinc/13/20/67/914132067.db2.gz FPVJMOLCTRJILT-SNVBAGLBSA-N 2 2 250.346 0.799 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC[NH+](C)CC1 ZINC001326741086 914132077 /nfs/dbraw/zinc/13/20/77/914132077.db2.gz FPVJMOLCTRJILT-SNVBAGLBSA-N 2 2 250.346 0.799 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001485690613 897171115 /nfs/dbraw/zinc/17/11/15/897171115.db2.gz KGZIDGWVIGKLKQ-AVGNSLFASA-N 2 2 294.399 0.218 20 0 CCADLP CC[C@@H](C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001078081109 898220517 /nfs/dbraw/zinc/22/05/17/898220517.db2.gz PYZHWBJMLXVLIH-LERXQTSPSA-N 2 2 294.399 0.468 20 0 CCADLP CC[C@@H](C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001078081109 898220536 /nfs/dbraw/zinc/22/05/36/898220536.db2.gz PYZHWBJMLXVLIH-LERXQTSPSA-N 2 2 294.399 0.468 20 0 CCADLP CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001032793128 898272945 /nfs/dbraw/zinc/27/29/45/898272945.db2.gz UUMSQRQWEWJYBD-AVGNSLFASA-N 2 2 267.373 0.012 20 0 CCADLP CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001032793128 898272960 /nfs/dbraw/zinc/27/29/60/898272960.db2.gz UUMSQRQWEWJYBD-AVGNSLFASA-N 2 2 267.373 0.012 20 0 CCADLP CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001032793128 898272973 /nfs/dbraw/zinc/27/29/73/898272973.db2.gz UUMSQRQWEWJYBD-AVGNSLFASA-N 2 2 267.373 0.012 20 0 CCADLP CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001032793128 898272992 /nfs/dbraw/zinc/27/29/92/898272992.db2.gz UUMSQRQWEWJYBD-AVGNSLFASA-N 2 2 267.373 0.012 20 0 CCADLP CC[NH2+]C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CCCO1 ZINC001078498115 898389868 /nfs/dbraw/zinc/38/98/68/898389868.db2.gz GMVVKYQDOIBGFK-LBPRGKRZSA-N 2 2 294.399 0.914 20 0 CCADLP CC[C@@H]1CCN(C(=O)NCC[NH+]2CCC([NH3+])CC2)C1 ZINC001336942165 921120056 /nfs/dbraw/zinc/12/00/56/921120056.db2.gz NBKSNEVAZBDQMO-GFCCVEGCSA-N 2 2 268.405 0.851 20 0 CCADLP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccns1 ZINC001485961866 898561697 /nfs/dbraw/zinc/56/16/97/898561697.db2.gz HHNYERJRJZVRKZ-NSHDSACASA-N 2 2 293.396 0.976 20 0 CCADLP C[C@H](O)CCC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCC1 ZINC001326937366 914280625 /nfs/dbraw/zinc/28/06/25/914280625.db2.gz IHWVFDMHDPZYRH-ZDUSSCGKSA-N 2 2 294.399 0.673 20 0 CCADLP CO[C@H](C)C[NH2+]CCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001493600758 898932616 /nfs/dbraw/zinc/93/26/16/898932616.db2.gz KTKYZDXGCIPXIQ-CHWSQXEVSA-N 2 2 294.399 0.528 20 0 CCADLP O=C(CCn1cc[nH+]c1)NC[C@@H](CO)[NH2+]CC1CCCC1 ZINC001410690332 899537967 /nfs/dbraw/zinc/53/79/67/899537967.db2.gz BLHOQXHPQOVHKX-AWEZNQCLSA-N 2 2 294.399 0.530 20 0 CCADLP C[C@H]1[C@@H](NC(=O)CCc2c[nH+]cn2C)CCC[N@@H+]1CCO ZINC001410927898 899634585 /nfs/dbraw/zinc/63/45/85/899634585.db2.gz NZKHLUUTQKCVFQ-JSGCOSHPSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@H]1[C@@H](NC(=O)CCc2c[nH+]cn2C)CCC[N@H+]1CCO ZINC001410927898 899634589 /nfs/dbraw/zinc/63/45/89/899634589.db2.gz NZKHLUUTQKCVFQ-JSGCOSHPSA-N 2 2 294.399 0.314 20 0 CCADLP COCC[N@@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001410937380 899636473 /nfs/dbraw/zinc/63/64/73/899636473.db2.gz XPXYJNHITHONGD-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP Cc1cc(C[NH2+]CCNC(=O)Cc2c[nH]c[nH+]2)sn1 ZINC001134397479 899833831 /nfs/dbraw/zinc/83/38/31/899833831.db2.gz OCXPIEKNHUABFS-UHFFFAOYSA-N 2 2 279.369 0.623 20 0 CCADLP CCO[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCF ZINC001489016744 900425636 /nfs/dbraw/zinc/42/56/36/900425636.db2.gz NSTZOGPQUCYOIJ-DGCLKSJQSA-N 2 2 298.362 0.375 20 0 CCADLP CC[N@H+](C)CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001490216648 900583901 /nfs/dbraw/zinc/58/39/01/900583901.db2.gz GVJKVLFWJNPWNU-LBPRGKRZSA-N 2 2 264.373 0.904 20 0 CCADLP CC[N@@H+](C)CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001490216648 900583907 /nfs/dbraw/zinc/58/39/07/900583907.db2.gz GVJKVLFWJNPWNU-LBPRGKRZSA-N 2 2 264.373 0.904 20 0 CCADLP CC[NH+]1CCN([C@H](C)CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001411769539 901243798 /nfs/dbraw/zinc/24/37/98/901243798.db2.gz DFZWQWWOXCORRR-CYBMUJFWSA-N 2 2 293.415 0.105 20 0 CCADLP Cn1cc([C@H]2CCC[N@H+](C[C@H](O)C[NH+](C)C3CC3)C2)nn1 ZINC001413092445 902699468 /nfs/dbraw/zinc/69/94/68/902699468.db2.gz RWKHCHPXACPORM-GXTWGEPZSA-N 2 2 293.415 0.450 20 0 CCADLP Cn1cc([C@H]2CCC[N@@H+](C[C@H](O)C[NH+](C)C3CC3)C2)nn1 ZINC001413092445 902699479 /nfs/dbraw/zinc/69/94/79/902699479.db2.gz RWKHCHPXACPORM-GXTWGEPZSA-N 2 2 293.415 0.450 20 0 CCADLP Cn1cc([C@H]2CCC[NH+](C[C@H](O)C[N@H+](C)C3CC3)C2)nn1 ZINC001413092445 902699488 /nfs/dbraw/zinc/69/94/88/902699488.db2.gz RWKHCHPXACPORM-GXTWGEPZSA-N 2 2 293.415 0.450 20 0 CCADLP Cn1cc([C@H]2CCC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)C2)nn1 ZINC001413092445 902699501 /nfs/dbraw/zinc/69/95/01/902699501.db2.gz RWKHCHPXACPORM-GXTWGEPZSA-N 2 2 293.415 0.450 20 0 CCADLP C[N@H+](CCCO)C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001398460987 914661904 /nfs/dbraw/zinc/66/19/04/914661904.db2.gz GFNAJVSPROFUDJ-CYBMUJFWSA-N 2 2 294.399 0.505 20 0 CCADLP C[N@@H+](CCCO)C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001398460987 914661907 /nfs/dbraw/zinc/66/19/07/914661907.db2.gz GFNAJVSPROFUDJ-CYBMUJFWSA-N 2 2 294.399 0.505 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CCCC[N@H+]1CCCO ZINC001491237687 903459122 /nfs/dbraw/zinc/45/91/22/903459122.db2.gz PWALMCFBGLKELK-CYBMUJFWSA-N 2 2 280.372 0.236 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CCCC[N@@H+]1CCCO ZINC001491237687 903459124 /nfs/dbraw/zinc/45/91/24/903459124.db2.gz PWALMCFBGLKELK-CYBMUJFWSA-N 2 2 280.372 0.236 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NC[C@H](C)[NH2+]C[C@@H](C)O ZINC001491495748 903624588 /nfs/dbraw/zinc/62/45/88/903624588.db2.gz QQSAMEVQFUQDAS-WDEREUQCSA-N 2 2 281.356 0.108 20 0 CCADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CC[C@@H]1CCCO1 ZINC001491544004 903660929 /nfs/dbraw/zinc/66/09/29/903660929.db2.gz YWOBYAWQVILZJQ-KBPBESRZSA-N 2 2 294.399 0.937 20 0 CCADLP CO[C@@H]1C[N@@H+](C(C)C)C[C@H]1NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001213555551 903836908 /nfs/dbraw/zinc/83/69/08/903836908.db2.gz SLHYMSZVIGXEOC-IACUBPJLSA-N 2 2 294.399 0.812 20 0 CCADLP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001216393220 903858733 /nfs/dbraw/zinc/85/87/33/903858733.db2.gz ZSAQSFFQIPMXQA-MBNYWOFBSA-N 2 2 294.399 0.434 20 0 CCADLP C[C@@H](NC(=O)[C@H](C)n1cc[nH+]c1)C1CC[NH2+]CC1 ZINC001331688940 904007226 /nfs/dbraw/zinc/00/72/26/904007226.db2.gz GLYODVOTLSWXBT-MNOVXSKESA-N 2 2 250.346 0.948 20 0 CCADLP COCCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001281687224 904331125 /nfs/dbraw/zinc/33/11/25/904331125.db2.gz WBYQVRCFTXHTLH-STQMWFEESA-N 2 2 294.399 0.958 20 0 CCADLP COCCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001281687224 904331139 /nfs/dbraw/zinc/33/11/39/904331139.db2.gz WBYQVRCFTXHTLH-STQMWFEESA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001398725280 914814592 /nfs/dbraw/zinc/81/45/92/914814592.db2.gz LSJCLTDIVKOTOI-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP COCCC[NH2+][C@H]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001316622950 904570463 /nfs/dbraw/zinc/57/04/63/904570463.db2.gz RQMUNQYJFOGXTM-TXEJJXNPSA-N 2 2 280.372 0.473 20 0 CCADLP CO[C@@H](C[N@H+](C)CCNC(=O)Cn1cc[nH+]c1)C1CCC1 ZINC001377276187 904744957 /nfs/dbraw/zinc/74/49/57/904744957.db2.gz NUMRTLMNCQTTTN-AWEZNQCLSA-N 2 2 294.399 0.746 20 0 CCADLP CO[C@@H](C[N@@H+](C)CCNC(=O)Cn1cc[nH+]c1)C1CCC1 ZINC001377276187 904744968 /nfs/dbraw/zinc/74/49/68/904744968.db2.gz NUMRTLMNCQTTTN-AWEZNQCLSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccn(C)n1 ZINC001377513127 904959563 /nfs/dbraw/zinc/95/95/63/904959563.db2.gz YQQKDCAMUJJZAS-NSHDSACASA-N 2 2 290.371 0.370 20 0 CCADLP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cncn1C ZINC001377537067 904981667 /nfs/dbraw/zinc/98/16/67/904981667.db2.gz WPAPJXWXKCOYRJ-LBPRGKRZSA-N 2 2 290.371 0.301 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](C[N@H+](C)CCO)C1 ZINC001377758042 905142080 /nfs/dbraw/zinc/14/20/80/905142080.db2.gz FQLHVUFUJDKVFK-STQMWFEESA-N 2 2 294.399 0.361 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](C[N@@H+](C)CCO)C1 ZINC001377758042 905142085 /nfs/dbraw/zinc/14/20/85/905142085.db2.gz FQLHVUFUJDKVFK-STQMWFEESA-N 2 2 294.399 0.361 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](C[N@H+](C)CCO)C1 ZINC001377758042 905142089 /nfs/dbraw/zinc/14/20/89/905142089.db2.gz FQLHVUFUJDKVFK-STQMWFEESA-N 2 2 294.399 0.361 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](C[N@@H+](C)CCO)C1 ZINC001377758042 905142095 /nfs/dbraw/zinc/14/20/95/905142095.db2.gz FQLHVUFUJDKVFK-STQMWFEESA-N 2 2 294.399 0.361 20 0 CCADLP C[C@H](CCCCO)NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336962997 921129053 /nfs/dbraw/zinc/12/90/53/921129053.db2.gz HKRMVDTZUMIHRX-GFCCVEGCSA-N 2 2 286.420 0.260 20 0 CCADLP Cc1nocc1C[NH2+][C@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001377913027 905241905 /nfs/dbraw/zinc/24/19/05/905241905.db2.gz XDDOGHODXSGEPH-MNOVXSKESA-N 2 2 291.355 0.863 20 0 CCADLP Cc1nocc1C[NH2+][C@@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001377913028 905243801 /nfs/dbraw/zinc/24/38/01/905243801.db2.gz XDDOGHODXSGEPH-QWRGUYRKSA-N 2 2 291.355 0.863 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001378065242 905395150 /nfs/dbraw/zinc/39/51/50/905395150.db2.gz ARJKRFCIEGZTPF-STQMWFEESA-N 2 2 280.372 0.499 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001378065242 905395167 /nfs/dbraw/zinc/39/51/67/905395167.db2.gz ARJKRFCIEGZTPF-STQMWFEESA-N 2 2 280.372 0.499 20 0 CCADLP C[N@H+](CCCO)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001378916330 905883938 /nfs/dbraw/zinc/88/39/38/905883938.db2.gz UERBWAUSFVRJNJ-UHFFFAOYSA-N 2 2 280.372 0.257 20 0 CCADLP C[N@@H+](CCCO)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001378916330 905883946 /nfs/dbraw/zinc/88/39/46/905883946.db2.gz UERBWAUSFVRJNJ-UHFFFAOYSA-N 2 2 280.372 0.257 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NC[C@H]([NH2+]CCO)C(C)C ZINC001378962951 905900914 /nfs/dbraw/zinc/90/09/14/905900914.db2.gz HLSIUSSNURZAJZ-ZDUSSCGKSA-N 2 2 295.383 0.355 20 0 CCADLP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1csnn1 ZINC001379194865 906052197 /nfs/dbraw/zinc/05/21/97/906052197.db2.gz GKNBEDVZOPODRQ-CMPLNLGQSA-N 2 2 297.428 0.569 20 0 CCADLP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1csnn1 ZINC001379194865 906052217 /nfs/dbraw/zinc/05/22/17/906052217.db2.gz GKNBEDVZOPODRQ-CMPLNLGQSA-N 2 2 297.428 0.569 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001379592739 906364003 /nfs/dbraw/zinc/36/40/03/906364003.db2.gz CNEGGOCONLYPNG-WDEREUQCSA-N 2 2 296.419 0.610 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC001379592739 906364015 /nfs/dbraw/zinc/36/40/15/906364015.db2.gz CNEGGOCONLYPNG-WDEREUQCSA-N 2 2 296.419 0.610 20 0 CCADLP C[C@H]1[C@H](NC(=O)CCn2cc[nH+]c2)CCC[N@@H+]1CCO ZINC001379652977 906417585 /nfs/dbraw/zinc/41/75/85/906417585.db2.gz HVWCHCIRUSUBNW-QWHCGFSZSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@H]1[C@H](NC(=O)CCn2cc[nH+]c2)CCC[N@H+]1CCO ZINC001379652977 906417593 /nfs/dbraw/zinc/41/75/93/906417593.db2.gz HVWCHCIRUSUBNW-QWHCGFSZSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@H](O)C[NH2+]C[C@]1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001380422782 906765674 /nfs/dbraw/zinc/76/56/74/906765674.db2.gz KLFBZRPUPBOAFI-FZMZJTMJSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@@H](Nc1cc[nH+]c(N)n1)[C@@H](C)[NH+]1CCOCC1 ZINC001337851376 921298933 /nfs/dbraw/zinc/29/89/33/921298933.db2.gz NORTXEDHRGJYIQ-NXEZZACHSA-N 2 2 251.334 0.580 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]2CCCC2)o1 ZINC001381455476 907214692 /nfs/dbraw/zinc/21/46/92/907214692.db2.gz VYSHWBZPODCLIE-MNOVXSKESA-N 2 2 295.387 0.457 20 0 CCADLP CC(C)[NH+]1CCN(CCCN2CC[N@H+](C)[C@@H](CO)C2)CC1 ZINC001336175068 907383090 /nfs/dbraw/zinc/38/30/90/907383090.db2.gz UFZOPVLUWBDPSL-MRXNPFEDSA-N 2 2 298.475 0.011 20 0 CCADLP CC(C)[NH+]1CCN(CCCN2CC[N@@H+](C)[C@@H](CO)C2)CC1 ZINC001336175068 907383108 /nfs/dbraw/zinc/38/31/08/907383108.db2.gz UFZOPVLUWBDPSL-MRXNPFEDSA-N 2 2 298.475 0.011 20 0 CCADLP Cc1nc(C[NH2+][C@@H](C)CNC(=O)Cn2cc[nH+]c2)cs1 ZINC001491694689 907505632 /nfs/dbraw/zinc/50/56/32/907505632.db2.gz SIEHBWCNCRRQGT-JTQLQIEISA-N 2 2 293.396 0.943 20 0 CCADLP C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]Cc1ccn(C)n1 ZINC001382128974 907560450 /nfs/dbraw/zinc/56/04/50/907560450.db2.gz ZZSYKLGEGYDHGW-NSHDSACASA-N 2 2 290.371 0.322 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCC[C@@H](C)[NH2+]C[C@H](C)O)c[nH+]1 ZINC001492040998 907682435 /nfs/dbraw/zinc/68/24/35/907682435.db2.gz AMBQSJRBZGBVGL-YPMHNXCESA-N 2 2 296.415 0.792 20 0 CCADLP C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ncccn1 ZINC001316864680 908555334 /nfs/dbraw/zinc/55/53/34/908555334.db2.gz AAOBVUXNIGXXJJ-CYBMUJFWSA-N 2 2 291.399 0.366 20 0 CCADLP C[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ncccn1 ZINC001316864680 908555338 /nfs/dbraw/zinc/55/53/38/908555338.db2.gz AAOBVUXNIGXXJJ-CYBMUJFWSA-N 2 2 291.399 0.366 20 0 CCADLP C[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ncccn1 ZINC001316864680 908555346 /nfs/dbraw/zinc/55/53/46/908555346.db2.gz AAOBVUXNIGXXJJ-CYBMUJFWSA-N 2 2 291.399 0.366 20 0 CCADLP C[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ncccn1 ZINC001316864680 908555352 /nfs/dbraw/zinc/55/53/52/908555352.db2.gz AAOBVUXNIGXXJJ-CYBMUJFWSA-N 2 2 291.399 0.366 20 0 CCADLP C[C@H]([NH3+])CONC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC001341402124 908593183 /nfs/dbraw/zinc/59/31/83/908593183.db2.gz GMBVPZLIZURACN-JGVFFNPUSA-N 2 2 280.250 0.772 20 0 CCADLP CCCC[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001317086418 908970529 /nfs/dbraw/zinc/97/05/29/908970529.db2.gz BYSFISRWYXYIGE-XYPYZODXSA-N 2 2 250.346 0.989 20 0 CCADLP O=C(NCCn1cc[nH+]c1)NC[C@@H]1CCCCC[NH2+]1 ZINC001338433573 921466425 /nfs/dbraw/zinc/46/64/25/921466425.db2.gz XJBQVBSTPUBERL-LBPRGKRZSA-N 2 2 265.361 0.715 20 0 CCADLP COCC[NH2+][C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001317243337 909081578 /nfs/dbraw/zinc/08/15/78/909081578.db2.gz VWBHPZVVOCEVRB-LLVKDONJSA-N 2 2 290.367 0.997 20 0 CCADLP COCCC[N@@H+]1CC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001317520394 909285390 /nfs/dbraw/zinc/28/53/90/909285390.db2.gz MJTUQBMCEUIDMC-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP COCCC[N@H+]1CC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001317520394 909285405 /nfs/dbraw/zinc/28/54/05/909285405.db2.gz MJTUQBMCEUIDMC-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP COCCC[N@@H+]1CC[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001317520394 909285421 /nfs/dbraw/zinc/28/54/21/909285421.db2.gz MJTUQBMCEUIDMC-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP COCCC[N@H+]1CC[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001317520394 909285439 /nfs/dbraw/zinc/28/54/39/909285439.db2.gz MJTUQBMCEUIDMC-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NC[C@H]1C[C@H]([NH2+]CCO)C1 ZINC001388721970 909566376 /nfs/dbraw/zinc/56/63/76/909566376.db2.gz MLGSKEIAUIISTH-AULYBMBSSA-N 2 2 293.367 0.109 20 0 CCADLP CC[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CCCO ZINC001318543785 909809487 /nfs/dbraw/zinc/80/94/87/909809487.db2.gz ZTDGPFSWLIWIEX-CHWSQXEVSA-N 2 2 294.399 0.312 20 0 CCADLP C[C@H](C(=O)NC1(CCO)CC[NH+](C)CC1)n1cc[nH+]c1 ZINC001417702803 921552471 /nfs/dbraw/zinc/55/24/71/921552471.db2.gz NTNNXEUPQWDVFN-GFCCVEGCSA-N 2 2 280.372 0.407 20 0 CCADLP Cc1cc(NC(=O)CN2CC[NH+](C)CC2)cc(C)[nH+]1 ZINC001319644588 910244332 /nfs/dbraw/zinc/24/43/32/910244332.db2.gz AUBACGKQIXLDQW-UHFFFAOYSA-N 2 2 262.357 0.306 20 0 CCADLP C[N@@H+](C/C=C/Cl)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001390742078 910613408 /nfs/dbraw/zinc/61/34/08/910613408.db2.gz LERDYKCPGODZST-UFFNRZRYSA-N 2 2 275.780 0.118 20 0 CCADLP C[N@H+](C/C=C/Cl)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001390742078 910613413 /nfs/dbraw/zinc/61/34/13/910613413.db2.gz LERDYKCPGODZST-UFFNRZRYSA-N 2 2 275.780 0.118 20 0 CCADLP C[NH+](C/C=C/Cl)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001390742078 910613422 /nfs/dbraw/zinc/61/34/22/910613422.db2.gz LERDYKCPGODZST-UFFNRZRYSA-N 2 2 275.780 0.118 20 0 CCADLP C[NH+](C/C=C/Cl)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001390742078 910613427 /nfs/dbraw/zinc/61/34/27/910613427.db2.gz LERDYKCPGODZST-UFFNRZRYSA-N 2 2 275.780 0.118 20 0 CCADLP C[N@@H+](C/C=C\Cl)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001390742073 910637558 /nfs/dbraw/zinc/63/75/58/910637558.db2.gz LERDYKCPGODZST-DLRQAJBASA-N 2 2 275.780 0.118 20 0 CCADLP C[N@H+](C/C=C\Cl)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001390742073 910637567 /nfs/dbraw/zinc/63/75/67/910637567.db2.gz LERDYKCPGODZST-DLRQAJBASA-N 2 2 275.780 0.118 20 0 CCADLP C[NH+](C/C=C\Cl)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001390742073 910637574 /nfs/dbraw/zinc/63/75/74/910637574.db2.gz LERDYKCPGODZST-DLRQAJBASA-N 2 2 275.780 0.118 20 0 CCADLP C[NH+](C/C=C\Cl)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001390742073 910637582 /nfs/dbraw/zinc/63/75/82/910637582.db2.gz LERDYKCPGODZST-DLRQAJBASA-N 2 2 275.780 0.118 20 0 CCADLP CCn1nnc(C)c1C[N@H+](C)CCNC(=O)CC[NH+](C)C ZINC001390813392 910705698 /nfs/dbraw/zinc/70/56/98/910705698.db2.gz SSIFPVVFNWJGDW-UHFFFAOYSA-N 2 2 296.419 0.106 20 0 CCADLP CCn1nnc(C)c1C[N@@H+](C)CCNC(=O)CC[NH+](C)C ZINC001390813392 910705722 /nfs/dbraw/zinc/70/57/22/910705722.db2.gz SSIFPVVFNWJGDW-UHFFFAOYSA-N 2 2 296.419 0.106 20 0 CCADLP CCN(CC[NH2+]C[C@@H](C)OC)C(=O)Cc1c[nH+]cn1C ZINC001320891598 910922327 /nfs/dbraw/zinc/92/23/27/910922327.db2.gz NDUMEUYOKHGYML-GFCCVEGCSA-N 2 2 282.388 0.436 20 0 CCADLP CCN(CC[NH2+]Cc1cnoc1C)C(=O)Cn1cc[nH+]c1 ZINC001320931782 910943307 /nfs/dbraw/zinc/94/33/07/910943307.db2.gz HWUUSXYOHRQHRL-UHFFFAOYSA-N 2 2 291.355 0.818 20 0 CCADLP C[NH+](C)C[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001321046432 911041918 /nfs/dbraw/zinc/04/19/18/911041918.db2.gz IEXSTMVODFWQFQ-LLVKDONJSA-N 2 2 250.346 0.752 20 0 CCADLP C[NH+](C)C[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001321046432 911041939 /nfs/dbraw/zinc/04/19/39/911041939.db2.gz IEXSTMVODFWQFQ-LLVKDONJSA-N 2 2 250.346 0.752 20 0 CCADLP C[C@H](C[NH2+]CCn1cccn1)NC(=O)CCn1cc[nH+]c1 ZINC001321605378 911393743 /nfs/dbraw/zinc/39/37/43/911393743.db2.gz SCPHRWAKRZICAJ-CYBMUJFWSA-N 2 2 290.371 0.264 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)CCc1c[nH+]cn1C ZINC001391860741 911424920 /nfs/dbraw/zinc/42/49/20/911424920.db2.gz IIVPPZWXWITMHH-GXTWGEPZSA-N 2 2 294.399 0.314 20 0 CCADLP Cc1ncc(C[NH2+]C[C@@H](C)N(C)C(=O)Cc2c[nH+]c[nH]2)o1 ZINC001392105830 911578165 /nfs/dbraw/zinc/57/81/65/911578165.db2.gz LRHZMZMECZOCOK-SNVBAGLBSA-N 2 2 291.355 0.885 20 0 CCADLP C[C@@H](C[NH2+]CCC[C@@H]1CCOC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001322003074 911617757 /nfs/dbraw/zinc/61/77/57/911617757.db2.gz PXQBJJFZVKUQSH-QWHCGFSZSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](O)C[NH2+]CC1CC1 ZINC001392408842 911789830 /nfs/dbraw/zinc/78/98/30/911789830.db2.gz LYJFVGLHPZLJDQ-GWCFXTLKSA-N 2 2 280.372 0.065 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](O)C[NH2+]CC1CC1 ZINC001392408842 911789843 /nfs/dbraw/zinc/78/98/43/911789843.db2.gz LYJFVGLHPZLJDQ-GWCFXTLKSA-N 2 2 280.372 0.065 20 0 CCADLP C[C@@H](C[NH2+]Cc1csnn1)NC(=O)CCC[NH+](C)C ZINC001392588430 911964617 /nfs/dbraw/zinc/96/46/17/911964617.db2.gz BYWRCWOCOHRJOI-JTQLQIEISA-N 2 2 285.417 0.474 20 0 CCADLP C[C@@H](C[NH2+]Cc1cccnc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001392605320 911982336 /nfs/dbraw/zinc/98/23/36/911982336.db2.gz PPUCNSTVFHKBOR-NSHDSACASA-N 2 2 273.340 0.642 20 0 CCADLP COCCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001327959951 914891864 /nfs/dbraw/zinc/89/18/64/914891864.db2.gz VCUVAZRPBJFZJZ-UONOGXRCSA-N 2 2 294.399 0.746 20 0 CCADLP CC[NH2+][C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001417987347 921749286 /nfs/dbraw/zinc/74/92/86/921749286.db2.gz YQKXMAXEMKZONE-OCCSQVGLSA-N 2 2 276.384 0.950 20 0 CCADLP [NH3+]CCCCn1cc(C(=O)NCCCn2cc[nH+]c2)nn1 ZINC001328578480 915285023 /nfs/dbraw/zinc/28/50/23/915285023.db2.gz TYJHSDXJXQEEIJ-UHFFFAOYSA-N 2 2 291.359 0.034 20 0 CCADLP CC[C@H](F)C[N@H+](C)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001399660203 915299625 /nfs/dbraw/zinc/29/96/25/915299625.db2.gz OMLVPMOXHKPUAS-STQMWFEESA-N 2 2 289.395 0.503 20 0 CCADLP CC[C@H](F)C[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001399660203 915299636 /nfs/dbraw/zinc/29/96/36/915299636.db2.gz OMLVPMOXHKPUAS-STQMWFEESA-N 2 2 289.395 0.503 20 0 CCADLP CC[C@H](F)C[NH+](C)CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001399660203 915299650 /nfs/dbraw/zinc/29/96/50/915299650.db2.gz OMLVPMOXHKPUAS-STQMWFEESA-N 2 2 289.395 0.503 20 0 CCADLP CC[C@H](F)C[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001399660203 915299665 /nfs/dbraw/zinc/29/96/65/915299665.db2.gz OMLVPMOXHKPUAS-STQMWFEESA-N 2 2 289.395 0.503 20 0 CCADLP CC[N@H+](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C[C@@H](C)O ZINC001399738929 915354354 /nfs/dbraw/zinc/35/43/54/915354354.db2.gz RUGNWCIGZIVURW-CHWSQXEVSA-N 2 2 294.399 0.264 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C[C@@H](C)O ZINC001399738929 915354373 /nfs/dbraw/zinc/35/43/73/915354373.db2.gz RUGNWCIGZIVURW-CHWSQXEVSA-N 2 2 294.399 0.264 20 0 CCADLP CC[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C[C@H]1CCCOC1 ZINC001399774203 915379053 /nfs/dbraw/zinc/37/90/53/915379053.db2.gz KSNHBWAQOKDYMF-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP CC[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C[C@H]1CCCOC1 ZINC001399774203 915379065 /nfs/dbraw/zinc/37/90/65/915379065.db2.gz KSNHBWAQOKDYMF-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP C[NH+](C)CC1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001328721073 915381873 /nfs/dbraw/zinc/38/18/73/915381873.db2.gz DZGDPIKXHJYWJS-LBPRGKRZSA-N 2 2 262.357 0.466 20 0 CCADLP CC[N@H+](C)CCC(=O)NC1C[NH+](CCc2ccnn2C)C1 ZINC001400405789 915735412 /nfs/dbraw/zinc/73/54/12/915735412.db2.gz CSLMIIVQJGUCNS-UHFFFAOYSA-N 2 2 293.415 0.105 20 0 CCADLP CC[N@@H+](C)CCC(=O)NC1C[NH+](CCc2ccnn2C)C1 ZINC001400405789 915735423 /nfs/dbraw/zinc/73/54/23/915735423.db2.gz CSLMIIVQJGUCNS-UHFFFAOYSA-N 2 2 293.415 0.105 20 0 CCADLP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1cnon1 ZINC001400927461 915987667 /nfs/dbraw/zinc/98/76/67/915987667.db2.gz NVGCDCGRKJTOQA-LLVKDONJSA-N 2 2 281.360 0.150 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@](C)(NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001400994276 916003867 /nfs/dbraw/zinc/00/38/67/916003867.db2.gz SBPVVBQJNCCFJX-DOMZBBRYSA-N 2 2 294.399 0.529 20 0 CCADLP C[C@H](C[NH2+]Cc1ccnn1C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001401266437 916155281 /nfs/dbraw/zinc/15/52/81/916155281.db2.gz JCOTXQRJZJXYJP-GFCCVEGCSA-N 2 2 290.371 0.253 20 0 CCADLP CC(C)[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]C[C@H](C)O ZINC001401382594 916230241 /nfs/dbraw/zinc/23/02/41/916230241.db2.gz RKQIHKMQAFVVIX-AAEUAGOBSA-N 2 2 282.388 0.074 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1nncs1 ZINC001401658819 916438531 /nfs/dbraw/zinc/43/85/31/916438531.db2.gz GZEQCXVPZTXDOQ-SNVBAGLBSA-N 2 2 285.417 0.474 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH2+]Cc1nncs1 ZINC001401658819 916438542 /nfs/dbraw/zinc/43/85/42/916438542.db2.gz GZEQCXVPZTXDOQ-SNVBAGLBSA-N 2 2 285.417 0.474 20 0 CCADLP C[C@H](C[N@H+](C)Cc1ccn(C)n1)NC(=O)[C@H]1CCC[NH+]1C ZINC001401783855 916584438 /nfs/dbraw/zinc/58/44/38/916584438.db2.gz UJLZNWFZUKCYET-TZMCWYRMSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@H](C[N@@H+](C)Cc1ccn(C)n1)NC(=O)[C@H]1CCC[NH+]1C ZINC001401783855 916584447 /nfs/dbraw/zinc/58/44/47/916584447.db2.gz UJLZNWFZUKCYET-TZMCWYRMSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@H](C[NH+](C)Cc1ccn(C)n1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001401783855 916584458 /nfs/dbraw/zinc/58/44/58/916584458.db2.gz UJLZNWFZUKCYET-TZMCWYRMSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@H](C[NH+](C)Cc1ccn(C)n1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001401783855 916584467 /nfs/dbraw/zinc/58/44/67/916584467.db2.gz UJLZNWFZUKCYET-TZMCWYRMSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@H](C[N@H+](C)CCOC1CCC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001401803418 916604514 /nfs/dbraw/zinc/60/45/14/916604514.db2.gz KYJBZDYNLXAUOH-GFCCVEGCSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H](C[N@@H+](C)CCOC1CCC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001401803418 916604519 /nfs/dbraw/zinc/60/45/19/916604519.db2.gz KYJBZDYNLXAUOH-GFCCVEGCSA-N 2 2 294.399 0.958 20 0 CCADLP CCC[N@H+](C)CCC(=O)N(C)C1C[NH+](CCOC)C1 ZINC001402048088 916769856 /nfs/dbraw/zinc/76/98/56/916769856.db2.gz QVUSPKKTHJVKFV-UHFFFAOYSA-N 2 2 271.405 0.507 20 0 CCADLP CCC[N@@H+](C)CCC(=O)N(C)C1C[NH+](CCOC)C1 ZINC001402048088 916769863 /nfs/dbraw/zinc/76/98/63/916769863.db2.gz QVUSPKKTHJVKFV-UHFFFAOYSA-N 2 2 271.405 0.507 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001402210640 916872377 /nfs/dbraw/zinc/87/23/77/916872377.db2.gz GCOQOVBURLYQPL-STQMWFEESA-N 2 2 294.399 0.578 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001402210640 916872381 /nfs/dbraw/zinc/87/23/81/916872381.db2.gz GCOQOVBURLYQPL-STQMWFEESA-N 2 2 294.399 0.578 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H](C[N@H+](C)CCO)C1 ZINC001402411859 917001294 /nfs/dbraw/zinc/00/12/94/917001294.db2.gz XLAOVTDVTUELSO-ZDUSSCGKSA-N 2 2 294.399 0.125 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H](C[N@@H+](C)CCO)C1 ZINC001402411859 917001310 /nfs/dbraw/zinc/00/13/10/917001310.db2.gz XLAOVTDVTUELSO-ZDUSSCGKSA-N 2 2 294.399 0.125 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CCC[N@H+](CCCO)C1 ZINC001402696168 917178615 /nfs/dbraw/zinc/17/86/15/917178615.db2.gz QKDUUPMGZRFZNU-CYBMUJFWSA-N 2 2 294.399 0.173 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@H]1CCC[N@@H+](CCCO)C1 ZINC001402696168 917178621 /nfs/dbraw/zinc/17/86/21/917178621.db2.gz QKDUUPMGZRFZNU-CYBMUJFWSA-N 2 2 294.399 0.173 20 0 CCADLP Cc1[nH+]ccn1CCn1cc(Cn2cc[nH+]c2)nn1 ZINC001331228035 917197214 /nfs/dbraw/zinc/19/72/14/917197214.db2.gz OXHCZZOSIVAGND-UHFFFAOYSA-N 2 2 257.301 0.728 20 0 CCADLP COCC[C@@H]([NH3+])Cc1cn(CCn2cc[nH+]c2)nn1 ZINC001331242203 917213128 /nfs/dbraw/zinc/21/31/28/917213128.db2.gz PBOVITWHUFROTO-LLVKDONJSA-N 2 2 264.333 0.081 20 0 CCADLP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cnsn1 ZINC001403014478 917423579 /nfs/dbraw/zinc/42/35/79/917423579.db2.gz HMXRMPVHBDBHOJ-QWRGUYRKSA-N 2 2 299.444 0.863 20 0 CCADLP CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cnsn1 ZINC001403014478 917423583 /nfs/dbraw/zinc/42/35/83/917423583.db2.gz HMXRMPVHBDBHOJ-QWRGUYRKSA-N 2 2 299.444 0.863 20 0 CCADLP C[C@@H]([NH2+]Cc1csnn1)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001403065089 917451207 /nfs/dbraw/zinc/45/12/07/917451207.db2.gz WOXRLYJEWOJOEE-MNOVXSKESA-N 2 2 299.444 0.863 20 0 CCADLP CC(C)C[NH+]1CC(CCO)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001403221157 917593946 /nfs/dbraw/zinc/59/39/46/917593946.db2.gz GLZJODZRMVRIPY-UHFFFAOYSA-N 2 2 294.399 0.482 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001403250894 917613236 /nfs/dbraw/zinc/61/32/36/917613236.db2.gz YBLMLYPIRVISLG-KBPBESRZSA-N 2 2 295.427 0.576 20 0 CCADLP CC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001403250894 917613246 /nfs/dbraw/zinc/61/32/46/917613246.db2.gz YBLMLYPIRVISLG-KBPBESRZSA-N 2 2 295.427 0.576 20 0 CCADLP C[C@]1(C[NH3+])CC[N@H+](C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001332423452 918147187 /nfs/dbraw/zinc/14/71/87/918147187.db2.gz BSVMUHNRRBNIBT-VXGBXAGGSA-N 2 2 260.403 0.482 20 0 CCADLP C[C@]1(C[NH3+])CC[N@@H+](C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001332423452 918147194 /nfs/dbraw/zinc/14/71/94/918147194.db2.gz BSVMUHNRRBNIBT-VXGBXAGGSA-N 2 2 260.403 0.482 20 0 CCADLP CC[N@H+](C)CCC(=O)N(C)CC[NH2+][C@@H](C)c1csnn1 ZINC001404431874 918346620 /nfs/dbraw/zinc/34/66/20/918346620.db2.gz CRHXHYYDRRGLCU-NSHDSACASA-N 2 2 299.444 0.989 20 0 CCADLP CC[N@@H+](C)CCC(=O)N(C)CC[NH2+][C@@H](C)c1csnn1 ZINC001404431874 918346634 /nfs/dbraw/zinc/34/66/34/918346634.db2.gz CRHXHYYDRRGLCU-NSHDSACASA-N 2 2 299.444 0.989 20 0 CCADLP CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001404438966 918352939 /nfs/dbraw/zinc/35/29/39/918352939.db2.gz BEKLQJGTKHMAFM-CYBMUJFWSA-N 2 2 298.431 0.126 20 0 CCADLP CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001404438966 918352958 /nfs/dbraw/zinc/35/29/58/918352958.db2.gz BEKLQJGTKHMAFM-CYBMUJFWSA-N 2 2 298.431 0.126 20 0 CCADLP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(CO)on1 ZINC001332833275 918466701 /nfs/dbraw/zinc/46/67/01/918466701.db2.gz JZQIKHNTCDAXNC-GFCCVEGCSA-N 2 2 282.388 0.455 20 0 CCADLP CC(C)OCC[NH+]1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001404819951 918481520 /nfs/dbraw/zinc/48/15/20/918481520.db2.gz HBNURPUZOICCBR-CYBMUJFWSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)OCC[NH+]1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001404819951 918481530 /nfs/dbraw/zinc/48/15/30/918481530.db2.gz HBNURPUZOICCBR-CYBMUJFWSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C[NH2+]CCO)C(C)(C)C ZINC001332872526 918499804 /nfs/dbraw/zinc/49/98/04/918499804.db2.gz CGWXSPASIPYJDY-WCQYABFASA-N 2 2 296.415 0.701 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C[NH2+]CCO)C(C)(C)C ZINC001332872526 918499807 /nfs/dbraw/zinc/49/98/07/918499807.db2.gz CGWXSPASIPYJDY-WCQYABFASA-N 2 2 296.415 0.701 20 0 CCADLP Cc1nnc(CC[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)o1 ZINC001333197090 918725371 /nfs/dbraw/zinc/72/53/71/918725371.db2.gz BOUSYNNMANJPII-NWDGAFQWSA-N 2 2 250.346 0.947 20 0 CCADLP Cc1nnc(CC[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)o1 ZINC001333197090 918725388 /nfs/dbraw/zinc/72/53/88/918725388.db2.gz BOUSYNNMANJPII-NWDGAFQWSA-N 2 2 250.346 0.947 20 0 CCADLP Cc1nnc(CC[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)o1 ZINC001333197090 918725403 /nfs/dbraw/zinc/72/54/03/918725403.db2.gz BOUSYNNMANJPII-NWDGAFQWSA-N 2 2 250.346 0.947 20 0 CCADLP Cc1nnc(CC[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)o1 ZINC001333197090 918725411 /nfs/dbraw/zinc/72/54/11/918725411.db2.gz BOUSYNNMANJPII-NWDGAFQWSA-N 2 2 250.346 0.947 20 0 CCADLP O=C(NC[C@H]1C[NH2+]CCCO1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001333338928 918817863 /nfs/dbraw/zinc/81/78/63/918817863.db2.gz UGNRLUDQIFLQHX-GMTAPVOTSA-N 2 2 264.329 0.008 20 0 CCADLP O=C(NC[C@H]1C[NH2+]CCCO1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001333338928 918817869 /nfs/dbraw/zinc/81/78/69/918817869.db2.gz UGNRLUDQIFLQHX-GMTAPVOTSA-N 2 2 264.329 0.008 20 0 CCADLP C[C@H]1CC[C@H](C[N@H+](C)CCN(C)C(=O)Cc2[nH]cc[nH+]2)O1 ZINC001406148127 919075528 /nfs/dbraw/zinc/07/55/28/919075528.db2.gz DIRFHVAQQVUSDW-QWHCGFSZSA-N 2 2 294.399 0.910 20 0 CCADLP C[C@H]1CC[C@H](C[N@@H+](C)CCN(C)C(=O)Cc2[nH]cc[nH+]2)O1 ZINC001406148127 919075541 /nfs/dbraw/zinc/07/55/41/919075541.db2.gz DIRFHVAQQVUSDW-QWHCGFSZSA-N 2 2 294.399 0.910 20 0 CCADLP C[C@H](C[NH2+][C@@H](C)C(N)=O)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001406373596 919224315 /nfs/dbraw/zinc/22/43/15/919224315.db2.gz BMDHACCSDVXGAR-BDAKNGLRSA-N 2 2 289.339 0.145 20 0 CCADLP C[C@@H](C[NH2+]Cc1cncc(F)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001406537868 919329777 /nfs/dbraw/zinc/32/97/77/919329777.db2.gz ALFKQIMKZHWOQA-JTQLQIEISA-N 2 2 291.330 0.781 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C)[nH]1 ZINC001406566011 919347916 /nfs/dbraw/zinc/34/79/16/919347916.db2.gz XZCGGKRHQODCKK-QWRGUYRKSA-N 2 2 296.419 0.609 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)C(C)C)[nH]1 ZINC001406566011 919347929 /nfs/dbraw/zinc/34/79/29/919347929.db2.gz XZCGGKRHQODCKK-QWRGUYRKSA-N 2 2 296.419 0.609 20 0 CCADLP CC[C@H](C[N@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C)OC ZINC001406683047 919426246 /nfs/dbraw/zinc/42/62/46/919426246.db2.gz BMUBDKYPTGDWBF-GXTWGEPZSA-N 2 2 296.415 0.824 20 0 CCADLP CC[C@H](C[N@@H+](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C)OC ZINC001406683047 919426252 /nfs/dbraw/zinc/42/62/52/919426252.db2.gz BMUBDKYPTGDWBF-GXTWGEPZSA-N 2 2 296.415 0.824 20 0 CCADLP C[C@@H](C[N@H+](C)C[C@@H]1CCCCO1)NC(=O)Cn1cc[nH+]c1 ZINC001406701569 919435361 /nfs/dbraw/zinc/43/53/61/919435361.db2.gz YPNLILYWKYGONM-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@@H](C[N@@H+](C)C[C@@H]1CCCCO1)NC(=O)Cn1cc[nH+]c1 ZINC001406701569 919435374 /nfs/dbraw/zinc/43/53/74/919435374.db2.gz YPNLILYWKYGONM-KBPBESRZSA-N 2 2 294.399 0.889 20 0 CCADLP 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ZINC001335395894 920169309 /nfs/dbraw/zinc/16/93/09/920169309.db2.gz CHUAFGZAZMAAMW-CHWSQXEVSA-N 2 2 252.362 0.175 20 0 CCADLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001335395894 920169321 /nfs/dbraw/zinc/16/93/21/920169321.db2.gz CHUAFGZAZMAAMW-CHWSQXEVSA-N 2 2 252.362 0.175 20 0 CCADLP CCCNC(=O)C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001414069744 920232198 /nfs/dbraw/zinc/23/21/98/920232198.db2.gz VASOMTLLIYOMAF-UHFFFAOYSA-N 2 2 297.443 0.825 20 0 CCADLP O=C1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCN1 ZINC001414164099 920241870 /nfs/dbraw/zinc/24/18/70/920241870.db2.gz CMOPMFANJIOGNU-JSGCOSHPSA-N 2 2 281.400 0.498 20 0 CCADLP CC(C)OCC[C@H](O)C[NH2+][C@@H]1Cc2c[nH+]cn2C1 ZINC001336829326 921044670 /nfs/dbraw/zinc/04/46/70/921044670.db2.gz MTXBLJPVZWJZJN-YPMHNXCESA-N 2 2 253.346 0.573 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)NCc1c[nH+]cn1C ZINC001336894681 921089101 /nfs/dbraw/zinc/08/91/01/921089101.db2.gz VECORRUSDKINSQ-ZJUUUORDSA-N 2 2 251.334 0.075 20 0 CCADLP Cc1noc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C)n1 ZINC001418271246 921980379 /nfs/dbraw/zinc/98/03/79/921980379.db2.gz SJBWIHWFFSWCLA-GXFFZTMASA-N 2 2 297.403 0.559 20 0 CCADLP Cc1cnc(C[NH2+][C@H](C)CNC(=O)C[N@@H+]2CC[C@H](C)C2)o1 ZINC001418277403 921987057 /nfs/dbraw/zinc/98/70/57/921987057.db2.gz VZLGRKBPKITTRK-NWDGAFQWSA-N 2 2 294.399 0.919 20 0 CCADLP Cc1cnc(C[NH2+][C@H](C)CNC(=O)C[N@H+]2CC[C@H](C)C2)o1 ZINC001418277403 921987079 /nfs/dbraw/zinc/98/70/79/921987079.db2.gz VZLGRKBPKITTRK-NWDGAFQWSA-N 2 2 294.399 0.919 20 0 CCADLP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1csnn1 ZINC001418316587 922018605 /nfs/dbraw/zinc/01/86/05/922018605.db2.gz MICKPUWQDBYBTP-JTQLQIEISA-N 2 2 283.401 0.228 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001418902795 922476122 /nfs/dbraw/zinc/47/61/22/922476122.db2.gz CUBQTDQIBWGCHQ-NEPJUHHUSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001418902795 922476128 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CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)C1CC[NH2+]CC1 ZINC001341751682 922658473 /nfs/dbraw/zinc/65/84/73/922658473.db2.gz HPMHAKPZBTYLPC-ZDUSSCGKSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C[C@@H]([NH3+])C1CC1 ZINC001342196706 922856117 /nfs/dbraw/zinc/85/61/17/922856117.db2.gz VPOLCVSVYISLAG-WCQYABFASA-N 2 2 269.389 0.293 20 0 CCADLP CC[C@@H](C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1)OC ZINC001419516655 922893010 /nfs/dbraw/zinc/89/30/10/922893010.db2.gz VSKFLMXSVXHZBG-XQQFMLRXSA-N 2 2 280.372 0.545 20 0 CCADLP CCN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@H]1CC[NH2+]C1 ZINC001342474778 922975594 /nfs/dbraw/zinc/97/55/94/922975594.db2.gz JXTFTZPOZVGOOA-YPMHNXCESA-N 2 2 262.357 0.656 20 0 CCADLP O=C(N[C@@H]1C[NH2+]CC12CC2)[C@H]1CCn2cc[nH+]c2C1 ZINC001342866546 923117120 /nfs/dbraw/zinc/11/71/20/923117120.db2.gz VHSWYRXHLYNOOF-WDEREUQCSA-N 2 2 260.341 0.314 20 0 CCADLP CC(C)[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CCF ZINC001419914446 923163398 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CCN(C(=O)Cc1[nH]c[nH+]c1C)[C@@H]1CCC[NH2+]C1 ZINC001343850708 923484499 /nfs/dbraw/zinc/48/44/99/923484499.db2.gz DZOPKIPSAFOHPP-LLVKDONJSA-N 2 2 250.346 0.861 20 0 CCADLP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C)CC(N)=O ZINC001420403147 923628550 /nfs/dbraw/zinc/62/85/50/923628550.db2.gz QPILRLXPNSRHCB-ZDUSSCGKSA-N 2 2 298.431 0.030 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C)CC(N)=O ZINC001420403147 923628557 /nfs/dbraw/zinc/62/85/57/923628557.db2.gz QPILRLXPNSRHCB-ZDUSSCGKSA-N 2 2 298.431 0.030 20 0 CCADLP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)CC(N)=O ZINC001420403147 923628564 /nfs/dbraw/zinc/62/85/64/923628564.db2.gz QPILRLXPNSRHCB-ZDUSSCGKSA-N 2 2 298.431 0.030 20 0 CCADLP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)CC(N)=O ZINC001420403147 923628572 /nfs/dbraw/zinc/62/85/72/923628572.db2.gz QPILRLXPNSRHCB-ZDUSSCGKSA-N 2 2 298.431 0.030 20 0 CCADLP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C)CC(N)=O ZINC001420403141 923630106 /nfs/dbraw/zinc/63/01/06/923630106.db2.gz QPILRLXPNSRHCB-CYBMUJFWSA-N 2 2 298.431 0.030 20 0 CCADLP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1CC(C)C)CC(N)=O ZINC001420403141 923630075 /nfs/dbraw/zinc/63/00/75/923630075.db2.gz QPILRLXPNSRHCB-CYBMUJFWSA-N 2 2 298.431 0.030 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1CC(C)C)CC(N)=O ZINC001420403141 923630087 /nfs/dbraw/zinc/63/00/87/923630087.db2.gz QPILRLXPNSRHCB-CYBMUJFWSA-N 2 2 298.431 0.030 20 0 CCADLP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)CC(N)=O ZINC001420403141 923630099 /nfs/dbraw/zinc/63/00/99/923630099.db2.gz QPILRLXPNSRHCB-CYBMUJFWSA-N 2 2 298.431 0.030 20 0 CCADLP C[C@@H](C[N@H+](C)C[C@@H]1CCOC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001420584113 923804559 /nfs/dbraw/zinc/80/45/59/923804559.db2.gz VCGOJZWBEFIDSA-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H](C[N@@H+](C)C[C@@H]1CCOC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001420584113 923804565 /nfs/dbraw/zinc/80/45/65/923804565.db2.gz VCGOJZWBEFIDSA-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H](C[N@H+](C)C[C@@H]1CCOC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001420584113 923804581 /nfs/dbraw/zinc/80/45/81/923804581.db2.gz VCGOJZWBEFIDSA-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H](C[N@@H+](C)C[C@@H]1CCOC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001420584113 923804596 /nfs/dbraw/zinc/80/45/96/923804596.db2.gz VCGOJZWBEFIDSA-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC001345154981 923811224 /nfs/dbraw/zinc/81/12/24/923811224.db2.gz WTEMKUKCXGKRDH-MXWKQRLJSA-N 2 2 250.346 0.832 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC001345154981 923811238 /nfs/dbraw/zinc/81/12/38/923811238.db2.gz WTEMKUKCXGKRDH-MXWKQRLJSA-N 2 2 250.346 0.832 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NC[C@@H]1CC[N@@H+]1CCCF ZINC001420854242 923986597 /nfs/dbraw/zinc/98/65/97/923986597.db2.gz WVRXNWBTGVLVAZ-LBPRGKRZSA-N 2 2 282.363 0.903 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NC[C@@H]1CC[N@H+]1CCCF ZINC001420854242 923986608 /nfs/dbraw/zinc/98/66/08/923986608.db2.gz WVRXNWBTGVLVAZ-LBPRGKRZSA-N 2 2 282.363 0.903 20 0 CCADLP CC(C)OCC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001420899062 924005263 /nfs/dbraw/zinc/00/52/63/924005263.db2.gz FVBFZLSWLKDKIU-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP CC(C)OCC[N@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001420899062 924005279 /nfs/dbraw/zinc/00/52/79/924005279.db2.gz FVBFZLSWLKDKIU-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP CO[C@@H](C[NH+]1CC(NC(=O)C[N@H+](C)C(C)C)C1)C1CCC1 ZINC001421096607 924150631 /nfs/dbraw/zinc/15/06/31/924150631.db2.gz AOGNMDHZDVKELK-HNNXBMFYSA-N 2 2 297.443 0.942 20 0 CCADLP CO[C@@H](C[NH+]1CC(NC(=O)C[N@@H+](C)C(C)C)C1)C1CCC1 ZINC001421096607 924150639 /nfs/dbraw/zinc/15/06/39/924150639.db2.gz AOGNMDHZDVKELK-HNNXBMFYSA-N 2 2 297.443 0.942 20 0 CCADLP Cc1nn(CCO)c(C)c1C[N@@H+](C)C1CC([NH3+])C1 ZINC001349324234 924930947 /nfs/dbraw/zinc/93/09/47/924930947.db2.gz CYXFILJSTSQPLZ-UHFFFAOYSA-N 2 2 252.362 0.414 20 0 CCADLP Cc1nn(CCO)c(C)c1C[N@H+](C)C1CC([NH3+])C1 ZINC001349324234 924930960 /nfs/dbraw/zinc/93/09/60/924930960.db2.gz CYXFILJSTSQPLZ-UHFFFAOYSA-N 2 2 252.362 0.414 20 0 CCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)CCc1[nH+]ccn1C ZINC001349392156 924948260 /nfs/dbraw/zinc/94/82/60/924948260.db2.gz PPMJMMJNXOAWHJ-VXGBXAGGSA-N 2 2 264.373 0.904 20 0 CCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)CCc1[nH+]ccn1C ZINC001349392156 924948262 /nfs/dbraw/zinc/94/82/62/924948262.db2.gz PPMJMMJNXOAWHJ-VXGBXAGGSA-N 2 2 264.373 0.904 20 0 CCADLP C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)CCc1[nH+]ccn1C ZINC001349899506 925089312 /nfs/dbraw/zinc/08/93/12/925089312.db2.gz DESIAJQDHXDFAA-RYUDHWBXSA-N 2 2 264.373 0.904 20 0 CCADLP CN1C[C@H](C[N@@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)OC1=O ZINC001352926590 925674564 /nfs/dbraw/zinc/67/45/64/925674564.db2.gz XRAYMLMVORVBMU-QJPTWQEYSA-N 2 2 253.346 0.463 20 0 CCADLP CN1C[C@H](C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)OC1=O ZINC001352926590 925674569 /nfs/dbraw/zinc/67/45/69/925674569.db2.gz XRAYMLMVORVBMU-QJPTWQEYSA-N 2 2 253.346 0.463 20 0 CCADLP CN1C[C@H](C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)OC1=O ZINC001352926590 925674572 /nfs/dbraw/zinc/67/45/72/925674572.db2.gz XRAYMLMVORVBMU-QJPTWQEYSA-N 2 2 253.346 0.463 20 0 CCADLP CN1C[C@H](C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)OC1=O ZINC001352926590 925674576 /nfs/dbraw/zinc/67/45/76/925674576.db2.gz XRAYMLMVORVBMU-QJPTWQEYSA-N 2 2 253.346 0.463 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCn2cncc2C1)C1CC1 ZINC001353340702 925805906 /nfs/dbraw/zinc/80/59/06/925805906.db2.gz SNJUUMCYTJYTLO-FZMZJTMJSA-N 2 2 264.373 0.243 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCn2cncc2C1)C1CC1 ZINC001353340702 925805911 /nfs/dbraw/zinc/80/59/11/925805911.db2.gz SNJUUMCYTJYTLO-FZMZJTMJSA-N 2 2 264.373 0.243 20 0 CCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001353633376 925891340 /nfs/dbraw/zinc/89/13/40/925891340.db2.gz JZMKUVGHBIFSKJ-SDDRHHMPSA-N 2 2 260.341 0.123 20 0 CCADLP Nc1cc(N2CC[NH+](C[C@H]3CCOC3)CC2)nc[nH+]1 ZINC001354131500 926024174 /nfs/dbraw/zinc/02/41/74/926024174.db2.gz SRULGJUUJFVMHV-LLVKDONJSA-N 2 2 263.345 0.217 20 0 CCADLP [NH3+][C@@H](CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C(F)F ZINC001354523919 926124689 /nfs/dbraw/zinc/12/46/89/926124689.db2.gz QZMGNWAMXNOYSS-JXUBOQSCSA-N 2 2 261.316 0.616 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]C[C@H](O)c1cccnc1)C1CC1 ZINC001356544919 926398278 /nfs/dbraw/zinc/39/82/78/926398278.db2.gz LEUXNUWYUUQRRU-KGLIPLIRSA-N 2 2 265.357 0.160 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@H](O)c1cccnc1)C1CC1 ZINC001356544919 926398282 /nfs/dbraw/zinc/39/82/82/926398282.db2.gz LEUXNUWYUUQRRU-KGLIPLIRSA-N 2 2 265.357 0.160 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)N[C@H]2CC=CCC2)CC1 ZINC001357167013 926491380 /nfs/dbraw/zinc/49/13/80/926491380.db2.gz RBRGAXYFZMEEMU-ZDUSSCGKSA-N 2 2 266.389 0.817 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@]23C[C@H]2CCC[NH2+]3)CC1 ZINC001357347513 926513825 /nfs/dbraw/zinc/51/38/25/926513825.db2.gz USBZXQGPENWGEW-HIFRSBDPSA-N 2 2 281.400 0.309 20 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NPMFQFPZZZZRHA-NSHDSACASA-N 2 2 290.371 0.228 20 0 CCADLP CNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001421958380 927015660 /nfs/dbraw/zinc/01/56/60/927015660.db2.gz MTHHTDPLCUMGEW-NWDGAFQWSA-N 2 2 295.387 0.017 20 0 CCADLP Cc1nnc(C[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]2CCCC2)o1 ZINC001421983729 927025642 /nfs/dbraw/zinc/02/56/42/927025642.db2.gz CDNZRYZLOGHCHQ-LLVKDONJSA-N 2 2 295.387 0.410 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)C[C@@H]1CCCCO1 ZINC001422568423 927375219 /nfs/dbraw/zinc/37/52/19/927375219.db2.gz CIOGKCPLRBQPJH-OLZOCXBDSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)C[C@@H]1CCCCO1 ZINC001422568423 927375231 /nfs/dbraw/zinc/37/52/31/927375231.db2.gz CIOGKCPLRBQPJH-OLZOCXBDSA-N 2 2 294.399 0.958 20 0 CCADLP Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)o1 ZINC001422588650 927388657 /nfs/dbraw/zinc/38/86/57/927388657.db2.gz FZGAHXDGKUPCIJ-PWSUYJOCSA-N 2 2 295.387 0.314 20 0 CCADLP Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)o1 ZINC001422588650 927388665 /nfs/dbraw/zinc/38/86/65/927388665.db2.gz FZGAHXDGKUPCIJ-PWSUYJOCSA-N 2 2 295.387 0.314 20 0 CCADLP C[N@H+](CC(=O)N1CC(n2cc[nH+]c2)C1)[C@@H]1CCC[C@H]1O ZINC001361870913 927408334 /nfs/dbraw/zinc/40/83/34/927408334.db2.gz OHCFWPPGBXGUKO-CHWSQXEVSA-N 2 2 278.356 0.112 20 0 CCADLP C[N@@H+](CC(=O)N1CC(n2cc[nH+]c2)C1)[C@@H]1CCC[C@H]1O ZINC001361870913 927408344 /nfs/dbraw/zinc/40/83/44/927408344.db2.gz OHCFWPPGBXGUKO-CHWSQXEVSA-N 2 2 278.356 0.112 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CC3(O)CCC3)C2)CC1 ZINC001361951921 927473591 /nfs/dbraw/zinc/47/35/91/927473591.db2.gz XLWUVYSNQWHUAC-CYBMUJFWSA-N 2 2 295.427 0.576 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CC3(O)CCC3)C2)CC1 ZINC001361951921 927473600 /nfs/dbraw/zinc/47/36/00/927473600.db2.gz XLWUVYSNQWHUAC-CYBMUJFWSA-N 2 2 295.427 0.576 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC001362035464 927541773 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Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC001362230004 927754962 /nfs/dbraw/zinc/75/49/62/927754962.db2.gz OADQXMNINHVIIW-OCCSQVGLSA-N 2 2 276.384 0.905 20 0 CCADLP CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001423515093 927902873 /nfs/dbraw/zinc/90/28/73/927902873.db2.gz KWVYDDDTNWHPNI-CYBMUJFWSA-N 2 2 296.415 0.698 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001423515093 927902882 /nfs/dbraw/zinc/90/28/82/927902882.db2.gz KWVYDDDTNWHPNI-CYBMUJFWSA-N 2 2 296.415 0.698 20 0 CCADLP CC(C)[N@@H+]1CC[C@@](O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001423789549 927979423 /nfs/dbraw/zinc/97/94/23/927979423.db2.gz LPLFXIKWZYSIPU-OAHLLOKOSA-N 2 2 294.399 0.625 20 0 CCADLP CC(C)[N@H+]1CC[C@@](O)(CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001423789549 927979433 /nfs/dbraw/zinc/97/94/33/927979433.db2.gz LPLFXIKWZYSIPU-OAHLLOKOSA-N 2 2 294.399 0.625 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC001362417462 927988303 /nfs/dbraw/zinc/98/83/03/927988303.db2.gz JFVIISJXUABETI-CYBMUJFWSA-N 2 2 291.399 0.599 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC001362417462 927988314 /nfs/dbraw/zinc/98/83/14/927988314.db2.gz JFVIISJXUABETI-CYBMUJFWSA-N 2 2 291.399 0.599 20 0 CCADLP CN(CCC[N@H+](C)Cc1ccon1)C(=O)CC[NH+](C)C ZINC001424304887 928154713 /nfs/dbraw/zinc/15/47/13/928154713.db2.gz GMQUCNGMBJYTHT-UHFFFAOYSA-N 2 2 282.388 0.907 20 0 CCADLP CN(CCC[N@@H+](C)Cc1ccon1)C(=O)CC[NH+](C)C ZINC001424304887 928154725 /nfs/dbraw/zinc/15/47/25/928154725.db2.gz GMQUCNGMBJYTHT-UHFFFAOYSA-N 2 2 282.388 0.907 20 0 CCADLP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccnn1C ZINC001425695692 928627801 /nfs/dbraw/zinc/62/78/01/928627801.db2.gz NIDMOIPMNFXLMD-LBPRGKRZSA-N 2 2 290.371 0.253 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@]12CCC[C@H]1[N@H+](CCO)CC2 ZINC001425910179 928705349 /nfs/dbraw/zinc/70/53/49/928705349.db2.gz NNAOVEORTHLOBE-HIFRSBDPSA-N 2 2 292.383 0.379 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@]12CCC[C@H]1[N@@H+](CCO)CC2 ZINC001425910179 928705355 /nfs/dbraw/zinc/70/53/55/928705355.db2.gz NNAOVEORTHLOBE-HIFRSBDPSA-N 2 2 292.383 0.379 20 0 CCADLP C[N@@H+]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC001362991583 928734262 /nfs/dbraw/zinc/73/42/62/928734262.db2.gz STXHWXCRGCJGRJ-NEPJUHHUSA-N 2 2 276.384 0.902 20 0 CCADLP C[N@H+]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC001362991583 928734270 /nfs/dbraw/zinc/73/42/70/928734270.db2.gz STXHWXCRGCJGRJ-NEPJUHHUSA-N 2 2 276.384 0.902 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1 ZINC001363574367 929378870 /nfs/dbraw/zinc/37/88/70/929378870.db2.gz KROFQVAKJDIYSE-HZSPNIEDSA-N 2 2 283.416 0.648 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1 ZINC001363574367 929378880 /nfs/dbraw/zinc/37/88/80/929378880.db2.gz KROFQVAKJDIYSE-HZSPNIEDSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC001363574367 929378894 /nfs/dbraw/zinc/37/88/94/929378894.db2.gz KROFQVAKJDIYSE-HZSPNIEDSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)N1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC001363574367 929378907 /nfs/dbraw/zinc/37/89/07/929378907.db2.gz KROFQVAKJDIYSE-HZSPNIEDSA-N 2 2 283.416 0.648 20 0 CCADLP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]C3CC(S(C)(=O)=O)C3)[C@H]2C1 ZINC001363679714 929481993 /nfs/dbraw/zinc/48/19/93/929481993.db2.gz KINNOJVGPPVMDS-JSPGJAJPSA-N 2 2 272.414 0.492 20 0 CCADLP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]C3CC(S(C)(=O)=O)C3)[C@H]2C1 ZINC001363679714 929482003 /nfs/dbraw/zinc/48/20/03/929482003.db2.gz KINNOJVGPPVMDS-JSPGJAJPSA-N 2 2 272.414 0.492 20 0 CCADLP C[NH+](C)CC[C@](C)(O)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001363712495 929510567 /nfs/dbraw/zinc/51/05/67/929510567.db2.gz TXRWHRBQMFCIOH-DOMZBBRYSA-N 2 2 294.399 0.264 20 0 CCADLP CC[C@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)[NH2+]C[C@@H](C)O ZINC001443935538 929745436 /nfs/dbraw/zinc/74/54/36/929745436.db2.gz CVECXEQJVYRUCK-CHWSQXEVSA-N 2 2 296.415 0.792 20 0 CCADLP CC[C@@H](CNC(=O)Cc1c[nH+]ccc1OC)[NH2+]C[C@H](C)O ZINC001443934180 929747021 /nfs/dbraw/zinc/74/70/21/929747021.db2.gz CAZYCUAIRUWOEI-AAEUAGOBSA-N 2 2 295.383 0.498 20 0 CCADLP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccnn1C ZINC001444012132 929764851 /nfs/dbraw/zinc/76/48/51/929764851.db2.gz MZAOGPIENZTKPD-NSHDSACASA-N 2 2 290.371 0.370 20 0 CCADLP COC[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001444192834 929808720 /nfs/dbraw/zinc/80/87/20/929808720.db2.gz RRKQDEFWXKPCRS-IHRRRGAJSA-N 2 2 294.399 0.935 20 0 CCADLP Cc1ncccc1C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001445440363 930135183 /nfs/dbraw/zinc/13/51/83/930135183.db2.gz KQEKMJLXBLGRLW-LLVKDONJSA-N 2 2 287.367 0.950 20 0 CCADLP C[C@@H](O)C[N@H+](C)C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001445845032 930267265 /nfs/dbraw/zinc/26/72/65/930267265.db2.gz OKQBMZCNXTYKGY-NWDGAFQWSA-N 2 2 282.388 0.170 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001445845032 930267274 /nfs/dbraw/zinc/26/72/74/930267274.db2.gz OKQBMZCNXTYKGY-NWDGAFQWSA-N 2 2 282.388 0.170 20 0 CCADLP C[C@H](c1cnccn1)[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001446088255 930331622 /nfs/dbraw/zinc/33/16/22/930331622.db2.gz WYKLVJNMLACZAL-OLZOCXBDSA-N 2 2 291.399 0.680 20 0 CCADLP C[C@H](c1cnccn1)[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001446088255 930331629 /nfs/dbraw/zinc/33/16/29/930331629.db2.gz WYKLVJNMLACZAL-OLZOCXBDSA-N 2 2 291.399 0.680 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001446128318 930341137 /nfs/dbraw/zinc/34/11/37/930341137.db2.gz ZIHGFVZLAUGFRA-CHWSQXEVSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001446128318 930341147 /nfs/dbraw/zinc/34/11/47/930341147.db2.gz ZIHGFVZLAUGFRA-CHWSQXEVSA-N 2 2 280.372 0.235 20 0 CCADLP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]C[C@@H]1CCCOC1 ZINC001373809349 930350927 /nfs/dbraw/zinc/35/09/27/930350927.db2.gz GQNIOJGHYBUCON-QWHCGFSZSA-N 2 2 294.399 0.863 20 0 CCADLP CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001446755380 930476014 /nfs/dbraw/zinc/47/60/14/930476014.db2.gz GORIQMRYWPMYIP-SWLSCSKDSA-N 2 2 292.383 0.018 20 0 CCADLP CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001446755380 930476022 /nfs/dbraw/zinc/47/60/22/930476022.db2.gz GORIQMRYWPMYIP-SWLSCSKDSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@]1(CO)CCC[N@H+](CC2CC2)C1 ZINC001447038316 930552593 /nfs/dbraw/zinc/55/25/93/930552593.db2.gz RSETXUVVZMQCHQ-HNNXBMFYSA-N 2 2 292.383 0.236 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@]1(CO)CCC[N@@H+](CC2CC2)C1 ZINC001447038316 930552599 /nfs/dbraw/zinc/55/25/99/930552599.db2.gz RSETXUVVZMQCHQ-HNNXBMFYSA-N 2 2 292.383 0.236 20 0 CCADLP CC[NH2+]CC1(NC(=O)CCCn2cc[nH+]c2)CCOCC1 ZINC001447499091 930643594 /nfs/dbraw/zinc/64/35/94/930643594.db2.gz XIHQBIMKKXZXEV-UHFFFAOYSA-N 2 2 294.399 0.938 20 0 CCADLP C[C@H](C[NH2+]Cc1cncc(F)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001374815532 930676520 /nfs/dbraw/zinc/67/65/20/930676520.db2.gz KRALEKDAIVJOQK-SNVBAGLBSA-N 2 2 291.330 0.781 20 0 CCADLP C[C@H](O)C[N@H+](C)C[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001447762106 930701042 /nfs/dbraw/zinc/70/10/42/930701042.db2.gz TWVWCSUUNDQVOO-JSGCOSHPSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@H](O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001447762106 930701053 /nfs/dbraw/zinc/70/10/53/930701053.db2.gz TWVWCSUUNDQVOO-JSGCOSHPSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@H](O)C[N@H+](C)C[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001447762106 930701061 /nfs/dbraw/zinc/70/10/61/930701061.db2.gz TWVWCSUUNDQVOO-JSGCOSHPSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@H](O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001447762106 930701073 /nfs/dbraw/zinc/70/10/73/930701073.db2.gz TWVWCSUUNDQVOO-JSGCOSHPSA-N 2 2 294.399 0.646 20 0 CCADLP Cc1nnc(C[NH2+]C[C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)o1 ZINC001374934300 930728921 /nfs/dbraw/zinc/72/89/21/930728921.db2.gz YRCAIPPNPOEPNH-QWRGUYRKSA-N 2 2 295.387 0.314 20 0 CCADLP Cc1nnc(C[NH2+]C[C@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)o1 ZINC001374934300 930728932 /nfs/dbraw/zinc/72/89/32/930728932.db2.gz YRCAIPPNPOEPNH-QWRGUYRKSA-N 2 2 295.387 0.314 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cnon1 ZINC001447884067 930744218 /nfs/dbraw/zinc/74/42/18/930744218.db2.gz VFKBLCPBNRLVGV-WDEREUQCSA-N 2 2 292.343 0.258 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H](NC(=O)CCc1c[nH+]cn1C)C1CC1 ZINC001375270238 930835218 /nfs/dbraw/zinc/83/52/18/930835218.db2.gz KIMCPWRMLKPHRO-RISCZKNCSA-N 2 2 294.399 0.218 20 0 CCADLP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]C[C@H]1CCCCO1 ZINC001448788728 930982501 /nfs/dbraw/zinc/98/25/01/930982501.db2.gz FINPRPYSOYPKKX-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP CN(C[C@@H](O)C[N@H+](C)CCC1CC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001449234930 931108190 /nfs/dbraw/zinc/10/81/90/931108190.db2.gz QGSZQJFJVHCAQE-AWEZNQCLSA-N 2 2 294.399 0.503 20 0 CCADLP CN(C[C@@H](O)C[N@@H+](C)CCC1CC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001449234930 931108194 /nfs/dbraw/zinc/10/81/94/931108194.db2.gz QGSZQJFJVHCAQE-AWEZNQCLSA-N 2 2 294.399 0.503 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C[NH2+]C[C@@H](C)O)C(C)(C)C ZINC001449329122 931126449 /nfs/dbraw/zinc/12/64/49/931126449.db2.gz PIKUBXGPPHTPFA-MFKMUULPSA-N 2 2 296.415 0.762 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001376513814 931170937 /nfs/dbraw/zinc/17/09/37/931170937.db2.gz WCWQIBMJVKFNMT-OLZOCXBDSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](O)C[N@H+]1CCC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001376513814 931170942 /nfs/dbraw/zinc/17/09/42/931170942.db2.gz WCWQIBMJVKFNMT-OLZOCXBDSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCC[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001376513814 931170948 /nfs/dbraw/zinc/17/09/48/931170948.db2.gz WCWQIBMJVKFNMT-OLZOCXBDSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](O)C[N@H+]1CCC[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001376513814 931170950 /nfs/dbraw/zinc/17/09/50/931170950.db2.gz WCWQIBMJVKFNMT-OLZOCXBDSA-N 2 2 294.399 0.551 20 0 CCADLP COC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001377173524 931419426 /nfs/dbraw/zinc/41/94/26/931419426.db2.gz MZHYKFWAJKAVAK-IJLUTSLNSA-N 2 2 280.372 0.596 20 0 CCADLP COC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001377173524 931419427 /nfs/dbraw/zinc/41/94/27/931419427.db2.gz MZHYKFWAJKAVAK-IJLUTSLNSA-N 2 2 280.372 0.596 20 0 CCADLP COC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001377173524 931419428 /nfs/dbraw/zinc/41/94/28/931419428.db2.gz MZHYKFWAJKAVAK-IJLUTSLNSA-N 2 2 280.372 0.596 20 0 CCADLP COC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001377173524 931419429 /nfs/dbraw/zinc/41/94/29/931419429.db2.gz MZHYKFWAJKAVAK-IJLUTSLNSA-N 2 2 280.372 0.596 20 0 CCADLP C[C@H](O)C[N@H+](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001377215080 931429521 /nfs/dbraw/zinc/42/95/21/931429521.db2.gz ALIFNCGCLQVILH-JTQLQIEISA-N 2 2 276.340 0.605 20 0 CCADLP C[C@H](O)C[N@@H+](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001377215080 931429529 /nfs/dbraw/zinc/42/95/29/931429529.db2.gz ALIFNCGCLQVILH-JTQLQIEISA-N 2 2 276.340 0.605 20 0 CCADLP CC(C)[NH+]1CCN(S(=O)(=O)CC2([NH+](C)C)CC2)CC1 ZINC000631720347 370644845 /nfs/dbraw/zinc/64/48/45/370644845.db2.gz DFKWAKRIJMDXJA-UHFFFAOYSA-N 2 2 289.445 0.436 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN([C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000091512607 349465288 /nfs/dbraw/zinc/46/52/88/349465288.db2.gz WUEPOHJTACGVRL-GJZGRUSLSA-N 2 2 285.432 0.096 20 0 CCADLP CC[N@H+](C)C[C@@H]1CCN([C@@H](C)C[NH+]2CCOCC2)C1 ZINC000091589472 349469002 /nfs/dbraw/zinc/46/90/02/349469002.db2.gz WQCKQJKDXNMSDZ-GJZGRUSLSA-N 2 2 269.433 0.981 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CCN([C@@H](C)C[NH+]2CCOCC2)C1 ZINC000091589472 349469003 /nfs/dbraw/zinc/46/90/03/349469003.db2.gz WQCKQJKDXNMSDZ-GJZGRUSLSA-N 2 2 269.433 0.981 20 0 CCADLP COCc1cccc(CNC(=O)C[NH+]2CCC([NH3+])CC2)c1 ZINC000092714277 349503680 /nfs/dbraw/zinc/50/36/80/349503680.db2.gz XOODWVWBATULRO-UHFFFAOYSA-N 2 2 291.395 0.872 20 0 CCADLP Nc1nc(-n2cccn2)cc(N2CC[C@@H]([NH+]3CCCC3)C2)[nH+]1 ZINC000092894423 349509976 /nfs/dbraw/zinc/50/99/76/349509976.db2.gz FILYVNOZCNMHSR-GFCCVEGCSA-N 2 2 299.382 0.919 20 0 CCADLP C[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000093175931 349529313 /nfs/dbraw/zinc/52/93/13/349529313.db2.gz MAKKBMOOBCPGNR-QWHCGFSZSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@@H]1[C@@H](C)CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000093175931 349529315 /nfs/dbraw/zinc/52/93/15/349529315.db2.gz MAKKBMOOBCPGNR-QWHCGFSZSA-N 2 2 253.390 0.881 20 0 CCADLP CCCC[N@H+](CCOC)CC(=O)N1CC[NH+](C)CC1 ZINC000093173166 349529846 /nfs/dbraw/zinc/52/98/46/349529846.db2.gz JIGSRXPZCPWILF-UHFFFAOYSA-N 2 2 271.405 0.509 20 0 CCADLP CCCC[N@@H+](CCOC)CC(=O)N1CC[NH+](C)CC1 ZINC000093173166 349529849 /nfs/dbraw/zinc/52/98/49/349529849.db2.gz JIGSRXPZCPWILF-UHFFFAOYSA-N 2 2 271.405 0.509 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC000093189118 349530092 /nfs/dbraw/zinc/53/00/92/349530092.db2.gz LMRZGPKHADHBBU-BETUJISGSA-N 2 2 251.374 0.492 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC000093189118 349530094 /nfs/dbraw/zinc/53/00/94/349530094.db2.gz LMRZGPKHADHBBU-BETUJISGSA-N 2 2 251.374 0.492 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCC3(CCC3)C2)CC1 ZINC000093189387 349530158 /nfs/dbraw/zinc/53/01/58/349530158.db2.gz DIZDZCZFJYKLCB-UHFFFAOYSA-N 2 2 251.374 0.636 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCC3(CCC3)C2)CC1 ZINC000093189387 349530162 /nfs/dbraw/zinc/53/01/62/349530162.db2.gz DIZDZCZFJYKLCB-UHFFFAOYSA-N 2 2 251.374 0.636 20 0 CCADLP CC[NH+](CC)CC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000337586132 214169878 /nfs/dbraw/zinc/16/98/78/214169878.db2.gz FKRTWATZUWKXPY-UHFFFAOYSA-N 2 2 285.432 0.897 20 0 CCADLP CC[NH+](CC)CC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000337586132 214169880 /nfs/dbraw/zinc/16/98/80/214169880.db2.gz FKRTWATZUWKXPY-UHFFFAOYSA-N 2 2 285.432 0.897 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000337610267 214179649 /nfs/dbraw/zinc/17/96/49/214179649.db2.gz XTJLVTKUTHVDFD-CQSZACIVSA-N 2 2 276.384 0.896 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000337610267 214179650 /nfs/dbraw/zinc/17/96/50/214179650.db2.gz XTJLVTKUTHVDFD-CQSZACIVSA-N 2 2 276.384 0.896 20 0 CCADLP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000333356852 282126041 /nfs/dbraw/zinc/12/60/41/282126041.db2.gz WUBSUGDDHYDBRH-QWHCGFSZSA-N 2 2 292.383 0.235 20 0 CCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H](C)[NH+](C)C ZINC000617505932 365658979 /nfs/dbraw/zinc/65/89/79/365658979.db2.gz VUEMKOLATMAVSZ-STQMWFEESA-N 3 2 272.437 0.325 20 0 CCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H](C)[NH+](C)C ZINC000617505932 365658982 /nfs/dbraw/zinc/65/89/82/365658982.db2.gz VUEMKOLATMAVSZ-STQMWFEESA-N 3 2 272.437 0.325 20 0 CCADLP CCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CC[N@H+](C)C1 ZINC000617550157 365670536 /nfs/dbraw/zinc/67/05/36/365670536.db2.gz JWQCAZJREBBEHZ-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP CCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CC[N@@H+](C)C1 ZINC000617550157 365670540 /nfs/dbraw/zinc/67/05/40/365670540.db2.gz JWQCAZJREBBEHZ-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP C[N@H+](CC(=O)NC(=O)NC(C)(C)C)CC(C)(C)C[NH3+] ZINC000093874489 349554947 /nfs/dbraw/zinc/55/49/47/349554947.db2.gz GZELCDYKQAUUTG-UHFFFAOYSA-N 2 2 272.393 0.527 20 0 CCADLP C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)CC(C)(C)C[NH3+] ZINC000093874489 349554950 /nfs/dbraw/zinc/55/49/50/349554950.db2.gz GZELCDYKQAUUTG-UHFFFAOYSA-N 2 2 272.393 0.527 20 0 CCADLP Cc1nn(C)c(C)c1NC(=O)C[N@H+](C)CC(C)(C)C[NH3+] ZINC000093874335 349555290 /nfs/dbraw/zinc/55/52/90/349555290.db2.gz UXAMALLBQRCRFI-UHFFFAOYSA-N 2 2 281.404 0.892 20 0 CCADLP Cc1nn(C)c(C)c1NC(=O)C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093874335 349555291 /nfs/dbraw/zinc/55/52/91/349555291.db2.gz UXAMALLBQRCRFI-UHFFFAOYSA-N 2 2 281.404 0.892 20 0 CCADLP CCC[N@@H+]1CC[C@H](CNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000097175456 349631275 /nfs/dbraw/zinc/63/12/75/349631275.db2.gz NNXKURAMTPCKCV-CQSZACIVSA-N 2 2 298.431 0.350 20 0 CCADLP CCC[N@H+]1CC[C@H](CNC(=O)NCC[NH+]2CCOCC2)C1 ZINC000097175456 349631276 /nfs/dbraw/zinc/63/12/76/349631276.db2.gz NNXKURAMTPCKCV-CQSZACIVSA-N 2 2 298.431 0.350 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH+]2C[C@@H]3CCC[C@H]3C2)CC1 ZINC000093189124 290648604 /nfs/dbraw/zinc/64/86/04/290648604.db2.gz LMRZGPKHADHBBU-STQMWFEESA-N 2 2 251.374 0.492 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)N1CC[NH+](CCO)CC1 ZINC000492299606 529551414 /nfs/dbraw/zinc/55/14/14/529551414.db2.gz NHPKJUNLXPUNQC-ONEGZZNKSA-N 2 2 278.356 0.053 20 0 CCADLP CCn1cc[nH+]c1/C=C\C(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1 ZINC000493044532 529558305 /nfs/dbraw/zinc/55/83/05/529558305.db2.gz HORIDFCMSFSFEU-JXLSXLBDSA-N 2 2 290.367 0.506 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC000105328442 349723177 /nfs/dbraw/zinc/72/31/77/349723177.db2.gz AUXRFIYHXPEAIL-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC000105328442 349723182 /nfs/dbraw/zinc/72/31/82/349723182.db2.gz AUXRFIYHXPEAIL-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP O=C1c2ccccc2C(=O)N1CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107579001 349738729 /nfs/dbraw/zinc/73/87/29/349738729.db2.gz HGHKTSHUXRBHNW-VXGBXAGGSA-N 2 2 285.347 0.434 20 0 CCADLP CN(Cc1ccco1)C(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107575541 349739045 /nfs/dbraw/zinc/73/90/45/349739045.db2.gz YNIZPMVURDQFJE-RYUDHWBXSA-N 2 2 263.341 0.389 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)NCC[N@H+](C)CCOC ZINC000454439033 529593897 /nfs/dbraw/zinc/59/38/97/529593897.db2.gz OLNWBLMKUHYMIC-LBPRGKRZSA-N 2 2 297.403 0.841 20 0 CCADLP O=C(NCC[NH+]1CCOCC1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108536607 349748932 /nfs/dbraw/zinc/74/89/32/349748932.db2.gz DEPNSZMMJIINOS-AWEZNQCLSA-N 2 2 296.415 0.102 20 0 CCADLP CCC(CC)NC(=O)[C@H](C)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107577243 282210983 /nfs/dbraw/zinc/21/09/83/282210983.db2.gz VDCGSPDKBKNRCI-QJPTWQEYSA-N 2 2 253.390 0.831 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3cc(O)ccc3Cl)CCN2C1=O ZINC000600710693 362042554 /nfs/dbraw/zinc/04/25/54/362042554.db2.gz QIWPYXMSWPRKTK-GXFFZTMASA-N 2 2 295.770 0.789 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3cc(O)ccc3Cl)CCN2C1=O ZINC000600710693 362042559 /nfs/dbraw/zinc/04/25/59/362042559.db2.gz QIWPYXMSWPRKTK-GXFFZTMASA-N 2 2 295.770 0.789 20 0 CCADLP Cc1ccc(NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)c(C)[nH+]1 ZINC000126444410 187239883 /nfs/dbraw/zinc/23/98/83/187239883.db2.gz SCVJNJDESJOCSV-ZDUSSCGKSA-N 2 2 278.356 0.736 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCOCC(=O)OC(C)(C)C ZINC000601144353 362156973 /nfs/dbraw/zinc/15/69/73/362156973.db2.gz JVJCKKGYQSLBOQ-NEPJUHHUSA-N 2 2 272.389 0.884 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCOCC(=O)OC(C)(C)C ZINC000601144353 362156976 /nfs/dbraw/zinc/15/69/76/362156976.db2.gz JVJCKKGYQSLBOQ-NEPJUHHUSA-N 2 2 272.389 0.884 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C1CC[NH+](C)CC1 ZINC000617732976 365743723 /nfs/dbraw/zinc/74/37/23/365743723.db2.gz LTPUDMIEQZSFTD-OLZOCXBDSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C1CC[NH+](C)CC1 ZINC000617732976 365743726 /nfs/dbraw/zinc/74/37/26/365743726.db2.gz LTPUDMIEQZSFTD-OLZOCXBDSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H](CF)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000288398309 136397479 /nfs/dbraw/zinc/39/74/79/136397479.db2.gz HTECFLCAJPVZOA-NSHDSACASA-N 2 2 267.352 0.676 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCCCC2)C1 ZINC000113514924 349815502 /nfs/dbraw/zinc/81/55/02/349815502.db2.gz WFYPRJACLJADSK-ZDUSSCGKSA-N 2 2 253.390 0.882 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC000113514924 349815507 /nfs/dbraw/zinc/81/55/07/349815507.db2.gz WFYPRJACLJADSK-ZDUSSCGKSA-N 2 2 253.390 0.882 20 0 CCADLP Cc1nn(C)cc1CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617761910 365764920 /nfs/dbraw/zinc/76/49/20/365764920.db2.gz CCLKXWWQDKCCSI-UHFFFAOYSA-N 2 2 295.431 0.271 20 0 CCADLP Cc1nn(C)cc1CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617761910 365764926 /nfs/dbraw/zinc/76/49/26/365764926.db2.gz CCLKXWWQDKCCSI-UHFFFAOYSA-N 2 2 295.431 0.271 20 0 CCADLP Cc1ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000617762568 365765324 /nfs/dbraw/zinc/76/53/24/365765324.db2.gz SDHYZXRTBHBNGR-UHFFFAOYSA-N 2 2 279.388 0.398 20 0 CCADLP Cc1ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000617762568 365765326 /nfs/dbraw/zinc/76/53/26/365765326.db2.gz SDHYZXRTBHBNGR-UHFFFAOYSA-N 2 2 279.388 0.398 20 0 CCADLP CC(C)[C@@](C)(O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765170 365768992 /nfs/dbraw/zinc/76/89/92/365768992.db2.gz WEXDATJJTUHGMO-CQSZACIVSA-N 2 2 273.421 0.393 20 0 CCADLP CC(C)[C@@](C)(O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765170 365768996 /nfs/dbraw/zinc/76/89/96/365768996.db2.gz WEXDATJJTUHGMO-CQSZACIVSA-N 2 2 273.421 0.393 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@]1(C)CCCO1 ZINC000617765994 365771247 /nfs/dbraw/zinc/77/12/47/365771247.db2.gz YNSUGJFJTAKQAI-AWEZNQCLSA-N 2 2 271.405 0.555 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@]1(C)CCCO1 ZINC000617765994 365771248 /nfs/dbraw/zinc/77/12/48/365771248.db2.gz YNSUGJFJTAKQAI-AWEZNQCLSA-N 2 2 271.405 0.555 20 0 CCADLP CN1CC[NH+]=C1NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000367501092 529779001 /nfs/dbraw/zinc/77/90/01/529779001.db2.gz UXABBKGJRFKXKW-UHFFFAOYSA-N 2 2 256.313 0.658 20 0 CCADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3CCCC[C@@]3(C)[NH3+])C[C@@H]21 ZINC000423924505 529785274 /nfs/dbraw/zinc/78/52/74/529785274.db2.gz AGKUPSSZHQTOLH-HLPPOEQASA-N 2 2 295.427 0.826 20 0 CCADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@H]3CCCC[C@@]3(C)[NH3+])C[C@@H]21 ZINC000423924505 529785276 /nfs/dbraw/zinc/78/52/76/529785276.db2.gz AGKUPSSZHQTOLH-HLPPOEQASA-N 2 2 295.427 0.826 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478069 349833342 /nfs/dbraw/zinc/83/33/42/349833342.db2.gz BMYMPYDTFSBNBV-CHWSQXEVSA-N 2 2 271.405 0.411 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478069 349833345 /nfs/dbraw/zinc/83/33/45/349833345.db2.gz BMYMPYDTFSBNBV-CHWSQXEVSA-N 2 2 271.405 0.411 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@H](CO)C2CCOCC2)n1C ZINC000425357997 529810534 /nfs/dbraw/zinc/81/05/34/529810534.db2.gz QNKJLVKEDSKKNA-CYBMUJFWSA-N 2 2 282.388 0.363 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCC[C@@H](C(N)=O)C2)n1C ZINC000425358474 529810654 /nfs/dbraw/zinc/81/06/54/529810654.db2.gz QYAQDXDTUPRHFS-GHMZBOCLSA-N 2 2 279.388 0.620 20 0 CCADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCCn1cc[nH+]c1 ZINC000115779436 349860876 /nfs/dbraw/zinc/86/08/76/349860876.db2.gz NKXGCAPRWLHMFO-CYBMUJFWSA-N 2 2 279.388 0.866 20 0 CCADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCCn1cc[nH+]c1 ZINC000115779436 349860881 /nfs/dbraw/zinc/86/08/81/349860881.db2.gz NKXGCAPRWLHMFO-CYBMUJFWSA-N 2 2 279.388 0.866 20 0 CCADLP COCCCC[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000117880845 349892817 /nfs/dbraw/zinc/89/28/17/349892817.db2.gz NKOCRAZRFANIND-UHFFFAOYSA-N 2 2 266.389 0.964 20 0 CCADLP C[NH2+]CCCNC(=O)N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000418278420 529967782 /nfs/dbraw/zinc/96/77/82/529967782.db2.gz LUQRJCMIIYWZNI-UHFFFAOYSA-N 2 2 292.387 0.226 20 0 CCADLP C[NH2+]CCNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000418317959 529975739 /nfs/dbraw/zinc/97/57/39/529975739.db2.gz OIVOFKXIOREZLY-ZDUSSCGKSA-N 2 2 291.399 0.689 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841497 349909651 /nfs/dbraw/zinc/90/96/51/349909651.db2.gz ZZWRZKDLZAEYGV-NWDGAFQWSA-N 2 2 253.390 0.927 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000118841497 349909655 /nfs/dbraw/zinc/90/96/55/349909655.db2.gz ZZWRZKDLZAEYGV-NWDGAFQWSA-N 2 2 253.390 0.927 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841497 349909658 /nfs/dbraw/zinc/90/96/58/349909658.db2.gz ZZWRZKDLZAEYGV-NWDGAFQWSA-N 2 2 253.390 0.927 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841497 349909661 /nfs/dbraw/zinc/90/96/61/349909661.db2.gz ZZWRZKDLZAEYGV-NWDGAFQWSA-N 2 2 253.390 0.927 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000417798622 529984653 /nfs/dbraw/zinc/98/46/53/529984653.db2.gz QZKUJFXJHQERNB-PELKAZGASA-N 2 2 271.311 0.936 20 0 CCADLP C[NH2+]C[C@H](C)CNC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000417798624 529998104 /nfs/dbraw/zinc/99/81/04/529998104.db2.gz QZKUJFXJHQERNB-QPUJVOFHSA-N 2 2 271.311 0.936 20 0 CCADLP CN(C)C(=O)C[NH+]1CCC([NH2+]Cc2cccn2C)CC1 ZINC000119165505 349921736 /nfs/dbraw/zinc/92/17/36/349921736.db2.gz VBCFQIDUIVGBRH-UHFFFAOYSA-N 2 2 278.400 0.667 20 0 CCADLP Cn1cc[nH+]c1CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000602347783 362594241 /nfs/dbraw/zinc/59/42/41/362594241.db2.gz NVVUNIHYXVRZLX-OLZOCXBDSA-N 2 2 264.373 0.451 20 0 CCADLP COC(=O)c1cc(C[NH2+]C2CC[NH+](C)CC2)on1 ZINC000602504031 362648452 /nfs/dbraw/zinc/64/84/52/362648452.db2.gz RBCZHKQUWWTZJE-UHFFFAOYSA-N 2 2 253.302 0.645 20 0 CCADLP CC(C)(C(=O)N1CC[NH+](CC2CC2)CC1)[NH+]1CCOCC1 ZINC000346211233 535020338 /nfs/dbraw/zinc/02/03/38/535020338.db2.gz BZIUAMGVBJBPSE-UHFFFAOYSA-N 2 2 295.427 0.651 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)[nH]c1C ZINC000602611851 362712865 /nfs/dbraw/zinc/71/28/65/362712865.db2.gz LUECGRADRWQJNZ-CQSZACIVSA-N 2 2 281.356 0.266 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)[nH]c1C ZINC000602611851 362712869 /nfs/dbraw/zinc/71/28/69/362712869.db2.gz LUECGRADRWQJNZ-CQSZACIVSA-N 2 2 281.356 0.266 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCCCCC1 ZINC000261573047 137009370 /nfs/dbraw/zinc/00/93/70/137009370.db2.gz AOZGOQJKLHAADS-KGLIPLIRSA-N 2 2 265.401 0.930 20 0 CCADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCCCCC1 ZINC000261573047 137009371 /nfs/dbraw/zinc/00/93/71/137009371.db2.gz AOZGOQJKLHAADS-KGLIPLIRSA-N 2 2 265.401 0.930 20 0 CCADLP CN(C)c1ccc(CNC(=O)C2([NH3+])CCOCC2)c[nH+]1 ZINC000261662663 137014798 /nfs/dbraw/zinc/01/47/98/137014798.db2.gz BFGYCSDAXJQIEY-UHFFFAOYSA-N 2 2 278.356 0.272 20 0 CCADLP COC[C@H]([NH3+])C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000262358700 137040461 /nfs/dbraw/zinc/04/04/61/137040461.db2.gz VHCBQZBXARPYGU-ZDUSSCGKSA-N 2 2 292.383 0.662 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000262969264 137056508 /nfs/dbraw/zinc/05/65/08/137056508.db2.gz LRJQXLUOXKWAGT-AXFHLTTASA-N 2 2 275.343 0.973 20 0 CCADLP O=c1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)nc2ccccn12 ZINC000261752022 137018302 /nfs/dbraw/zinc/01/83/02/137018302.db2.gz TZRXPNCVOWSMGU-GXTWGEPZSA-N 2 2 284.363 0.878 20 0 CCADLP O=c1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)nc2ccccn12 ZINC000261752022 137018303 /nfs/dbraw/zinc/01/83/03/137018303.db2.gz TZRXPNCVOWSMGU-GXTWGEPZSA-N 2 2 284.363 0.878 20 0 CCADLP C[C@H](C[NH3+])[N@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000261770363 137019206 /nfs/dbraw/zinc/01/92/06/137019206.db2.gz DQLSDQWOTLMXLX-SNVBAGLBSA-N 2 2 261.325 0.562 20 0 CCADLP C[C@H](C[NH3+])[N@@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000261770363 137019207 /nfs/dbraw/zinc/01/92/07/137019207.db2.gz DQLSDQWOTLMXLX-SNVBAGLBSA-N 2 2 261.325 0.562 20 0 CCADLP Cc1cc(N2CC[C@@H]([N@@H+]3CC[C@](C)(C[NH3+])C3)C2=O)n(C)n1 ZINC000261768025 137019312 /nfs/dbraw/zinc/01/93/12/137019312.db2.gz MDIQNFZMYHTJKO-IUODEOHRSA-N 2 2 291.399 0.505 20 0 CCADLP Cc1cc(N2CC[C@@H]([N@H+]3CC[C@](C)(C[NH3+])C3)C2=O)n(C)n1 ZINC000261768025 137019313 /nfs/dbraw/zinc/01/93/13/137019313.db2.gz MDIQNFZMYHTJKO-IUODEOHRSA-N 2 2 291.399 0.505 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)n1 ZINC000261837663 137021870 /nfs/dbraw/zinc/02/18/70/137021870.db2.gz ZLOUWLMHFIIWHR-ZDUSSCGKSA-N 2 2 250.346 0.915 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@H+]2CC[C@@](C)(C[NH3+])C2)n1 ZINC000261837663 137021871 /nfs/dbraw/zinc/02/18/71/137021871.db2.gz ZLOUWLMHFIIWHR-ZDUSSCGKSA-N 2 2 250.346 0.915 20 0 CCADLP C[C@H]([NH3+])CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000261858343 137022877 /nfs/dbraw/zinc/02/28/77/137022877.db2.gz PKYXMEQGSIQILI-ZFWWWQNUSA-N 2 2 291.395 0.913 20 0 CCADLP Cc1ccncc1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000261968452 137026844 /nfs/dbraw/zinc/02/68/44/137026844.db2.gz QBPATBQPTOBPND-OAHLLOKOSA-N 2 2 288.395 0.786 20 0 CCADLP Cc1ccncc1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000261968452 137026845 /nfs/dbraw/zinc/02/68/45/137026845.db2.gz QBPATBQPTOBPND-OAHLLOKOSA-N 2 2 288.395 0.786 20 0 CCADLP CCN(C)CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000262001675 137028148 /nfs/dbraw/zinc/02/81/48/137028148.db2.gz URDMIRMOKVDVGM-BFHYXJOUSA-N 2 2 255.406 0.685 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000262290189 137035578 /nfs/dbraw/zinc/03/55/78/137035578.db2.gz NLTWNVKSCPBUSP-RDBSUJKOSA-N 2 2 282.432 0.256 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)[N@H+](C)C1CC1 ZINC000263303520 137063575 /nfs/dbraw/zinc/06/35/75/137063575.db2.gz XMFKAFARSRWXQQ-WCBMZHEXSA-N 2 2 261.316 0.583 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)[N@@H+](C)C1CC1 ZINC000263303520 137063576 /nfs/dbraw/zinc/06/35/76/137063576.db2.gz XMFKAFARSRWXQQ-WCBMZHEXSA-N 2 2 261.316 0.583 20 0 CCADLP C[N@@H+](CC(=O)NCc1ccc(Cl)cc1)C[C@H](O)C[NH3+] ZINC000311931135 137075886 /nfs/dbraw/zinc/07/58/86/137075886.db2.gz USBWKNGKDXYDKA-GFCCVEGCSA-N 2 2 285.775 0.208 20 0 CCADLP C[N@H+](CC(=O)NCc1ccc(Cl)cc1)C[C@H](O)C[NH3+] ZINC000311931135 137075887 /nfs/dbraw/zinc/07/58/87/137075887.db2.gz USBWKNGKDXYDKA-GFCCVEGCSA-N 2 2 285.775 0.208 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000342912932 137103730 /nfs/dbraw/zinc/10/37/30/137103730.db2.gz NMSVKOZVTBZLML-MNOVXSKESA-N 2 2 253.350 0.521 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](C)C[NH+](C)C ZINC000342912933 137103733 /nfs/dbraw/zinc/10/37/33/137103733.db2.gz NMSVKOZVTBZLML-QWRGUYRKSA-N 2 2 253.350 0.521 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCO[C@@H]3CCC[C@H]32)CC1 ZINC000343066870 137113132 /nfs/dbraw/zinc/11/31/32/137113132.db2.gz WYUAIJKHNISMOF-HUUCEWRRSA-N 2 2 295.427 0.840 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCO[C@@H]3CCC[C@H]32)CC1 ZINC000343066870 137113133 /nfs/dbraw/zinc/11/31/33/137113133.db2.gz WYUAIJKHNISMOF-HUUCEWRRSA-N 2 2 295.427 0.840 20 0 CCADLP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000343487337 137138361 /nfs/dbraw/zinc/13/83/61/137138361.db2.gz CIHQVRTZQNTRDP-KFWWJZLASA-N 3 2 268.449 0.552 20 0 CCADLP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000343487337 137138362 /nfs/dbraw/zinc/13/83/62/137138362.db2.gz CIHQVRTZQNTRDP-KFWWJZLASA-N 3 2 268.449 0.552 20 0 CCADLP CN(CC[NH+](C)C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000344002238 137172580 /nfs/dbraw/zinc/17/25/80/137172580.db2.gz ATNBHYSAJDDRID-LLVKDONJSA-N 2 2 250.346 0.466 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000019479705 348063148 /nfs/dbraw/zinc/06/31/48/348063148.db2.gz ANQUNMLEIBSFFQ-OAHLLOKOSA-N 2 2 273.380 0.865 20 0 CCADLP CCNC(=O)C[N@H+](CC)CC(=O)NC1CC[NH+](CC)CC1 ZINC000015307523 348040305 /nfs/dbraw/zinc/04/03/05/348040305.db2.gz RRFSSCVDBMCHHS-UHFFFAOYSA-N 2 2 298.431 0.045 20 0 CCADLP CCNC(=O)C[N@@H+](CC)CC(=O)NC1CC[NH+](CC)CC1 ZINC000015307523 348040309 /nfs/dbraw/zinc/04/03/09/348040309.db2.gz RRFSSCVDBMCHHS-UHFFFAOYSA-N 2 2 298.431 0.045 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@@](C)(O)C2CC2)CC1 ZINC000339378599 215133104 /nfs/dbraw/zinc/13/31/04/215133104.db2.gz MVZSWBAMUNRQBI-MRXNPFEDSA-N 2 2 297.443 0.680 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC000344771599 137212433 /nfs/dbraw/zinc/21/24/33/137212433.db2.gz YNRFGECZXJZUDC-FZMZJTMJSA-N 2 2 277.368 0.590 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1cccc(OCC(N)=O)c1 ZINC000344771599 137212434 /nfs/dbraw/zinc/21/24/34/137212434.db2.gz YNRFGECZXJZUDC-FZMZJTMJSA-N 2 2 277.368 0.590 20 0 CCADLP CC[N@H+](CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)OC)C1CC1 ZINC000344977390 137225837 /nfs/dbraw/zinc/22/58/37/137225837.db2.gz REYOORHVBXEASE-GFCCVEGCSA-N 2 2 294.355 0.094 20 0 CCADLP CC[N@@H+](CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)OC)C1CC1 ZINC000344977390 137225838 /nfs/dbraw/zinc/22/58/38/137225838.db2.gz REYOORHVBXEASE-GFCCVEGCSA-N 2 2 294.355 0.094 20 0 CCADLP CC[N@H+](CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)OC)C1CC1 ZINC000344977390 137225839 /nfs/dbraw/zinc/22/58/39/137225839.db2.gz REYOORHVBXEASE-GFCCVEGCSA-N 2 2 294.355 0.094 20 0 CCADLP CC[N@@H+](CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)OC)C1CC1 ZINC000344977390 137225840 /nfs/dbraw/zinc/22/58/40/137225840.db2.gz REYOORHVBXEASE-GFCCVEGCSA-N 2 2 294.355 0.094 20 0 CCADLP CCC[C@@](C)([NH3+])C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000037621827 348194092 /nfs/dbraw/zinc/19/40/92/348194092.db2.gz IIKIEBFRBZWQHC-WCQYABFASA-N 2 2 257.378 0.341 20 0 CCADLP CC(C)[NH2+]CCC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000037618484 348194139 /nfs/dbraw/zinc/19/41/39/348194139.db2.gz UEBSIDUMKYZWHJ-GFCCVEGCSA-N 2 2 257.378 0.211 20 0 CCADLP C[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000037802010 348206156 /nfs/dbraw/zinc/20/61/56/348206156.db2.gz WFHNEIJXLVRZIJ-UHFFFAOYSA-N 2 2 253.371 0.612 20 0 CCADLP C[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)[NH+]1CCOCC1 ZINC000346333201 137279469 /nfs/dbraw/zinc/27/94/69/137279469.db2.gz WWAUCXVKEHUXNY-DZGCQCFKSA-N 2 2 281.400 0.261 20 0 CCADLP C[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1)[NH+]1CCOCC1 ZINC000346333201 137279470 /nfs/dbraw/zinc/27/94/70/137279470.db2.gz WWAUCXVKEHUXNY-DZGCQCFKSA-N 2 2 281.400 0.261 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000346540707 137292410 /nfs/dbraw/zinc/29/24/10/137292410.db2.gz NSFABSHJIWEURV-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000346540707 137292411 /nfs/dbraw/zinc/29/24/11/137292411.db2.gz NSFABSHJIWEURV-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP CC[N@@H+]1C[C@H](C)N(C[C@H](O)C[NH+]2CCOCC2)C[C@H]1C ZINC000346199468 137272820 /nfs/dbraw/zinc/27/28/20/137272820.db2.gz VUIJSINQSMMADO-QLFBSQMISA-N 2 2 285.432 0.094 20 0 CCADLP CC[N@H+]1C[C@H](C)N(C[C@H](O)C[NH+]2CCOCC2)C[C@H]1C ZINC000346199468 137272821 /nfs/dbraw/zinc/27/28/21/137272821.db2.gz VUIJSINQSMMADO-QLFBSQMISA-N 2 2 285.432 0.094 20 0 CCADLP C[N@H+](CC[C@H]1CCCO1)C1CC[NH+](CCO)CC1 ZINC000346220271 137272954 /nfs/dbraw/zinc/27/29/54/137272954.db2.gz ISZIBELVUCXXKX-CQSZACIVSA-N 2 2 256.390 0.944 20 0 CCADLP C[N@@H+](CC[C@H]1CCCO1)C1CC[NH+](CCO)CC1 ZINC000346220271 137272955 /nfs/dbraw/zinc/27/29/55/137272955.db2.gz ISZIBELVUCXXKX-CQSZACIVSA-N 2 2 256.390 0.944 20 0 CCADLP Cc1nccc(N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000346993980 137314654 /nfs/dbraw/zinc/31/46/54/137314654.db2.gz BLIPEIZZUNJAPN-CQSZACIVSA-N 2 2 275.400 0.907 20 0 CCADLP COC(=O)[C@@]1(C)C[C@H](OC)C[N@@H+]1CCc1c[nH+]cn1C ZINC000602934593 362897103 /nfs/dbraw/zinc/89/71/03/362897103.db2.gz HRXPRXKXUGIPGJ-GXTWGEPZSA-N 2 2 281.356 0.615 20 0 CCADLP COC(=O)[C@@]1(C)C[C@H](OC)C[N@H+]1CCc1c[nH+]cn1C ZINC000602934593 362897109 /nfs/dbraw/zinc/89/71/09/362897109.db2.gz HRXPRXKXUGIPGJ-GXTWGEPZSA-N 2 2 281.356 0.615 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000045839082 348343711 /nfs/dbraw/zinc/34/37/11/348343711.db2.gz RAWZQPNLNJMVTM-QWHCGFSZSA-N 2 2 283.416 0.696 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000045839082 348343714 /nfs/dbraw/zinc/34/37/14/348343714.db2.gz RAWZQPNLNJMVTM-QWHCGFSZSA-N 2 2 283.416 0.696 20 0 CCADLP COC(=O)[C@]1(C)C[C@@H](OC)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000602947880 362904977 /nfs/dbraw/zinc/90/49/77/362904977.db2.gz ZFSPNJMSAMPBNF-OCCSQVGLSA-N 2 2 281.356 0.926 20 0 CCADLP COC(=O)[C@]1(C)C[C@@H](OC)C[N@H+]1CCCn1cc[nH+]c1 ZINC000602947880 362904982 /nfs/dbraw/zinc/90/49/82/362904982.db2.gz ZFSPNJMSAMPBNF-OCCSQVGLSA-N 2 2 281.356 0.926 20 0 CCADLP CCC1([NH+](C)C)CC[NH+](C[C@](C)(O)C(=O)OC)CC1 ZINC000602966525 362912338 /nfs/dbraw/zinc/91/23/38/362912338.db2.gz ILGAZFWMLUCVCT-ZDUSSCGKSA-N 2 2 272.389 0.717 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+](Cc2c[nH]c(C(=O)OC)c2)C1 ZINC000347210031 137325156 /nfs/dbraw/zinc/32/51/56/137325156.db2.gz OMROFLVZHGIPHY-SNVBAGLBSA-N 2 2 251.330 0.843 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2c[nH]c(C(=O)OC)c2)C1 ZINC000347210031 137325157 /nfs/dbraw/zinc/32/51/57/137325157.db2.gz OMROFLVZHGIPHY-SNVBAGLBSA-N 2 2 251.330 0.843 20 0 CCADLP CCSCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989218 362925670 /nfs/dbraw/zinc/92/56/70/362925670.db2.gz HYEDWEKPBGPPQU-UHFFFAOYSA-N 2 2 259.419 0.445 20 0 CCADLP CCSCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989218 362925675 /nfs/dbraw/zinc/92/56/75/362925675.db2.gz HYEDWEKPBGPPQU-UHFFFAOYSA-N 2 2 259.419 0.445 20 0 CCADLP OC[C@H]([NH2+]CC[NH+]1CCCCC1)[C@H]1CCCOC1 ZINC000411990733 233000027 /nfs/dbraw/zinc/00/00/27/233000027.db2.gz ILLDVEGXPZJCPN-KBPBESRZSA-N 2 2 256.390 0.849 20 0 CCADLP CC(C)OCC[C@@H](O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000349215320 137389928 /nfs/dbraw/zinc/38/99/28/137389928.db2.gz NGRANLWGXRAFRB-OAHLLOKOSA-N 2 2 288.432 0.551 20 0 CCADLP CC(C)OCC[C@@H](O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000349215320 137389929 /nfs/dbraw/zinc/38/99/29/137389929.db2.gz NGRANLWGXRAFRB-OAHLLOKOSA-N 2 2 288.432 0.551 20 0 CCADLP O=C1NCCC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000050395033 348474121 /nfs/dbraw/zinc/47/41/21/348474121.db2.gz QZMZCPNZCSLXOY-ZDUSSCGKSA-N 2 2 274.368 0.919 20 0 CCADLP CC(C)(CNC(=O)[C@@]1(C)CC[NH2+]C1)[NH+]1CCOCC1 ZINC000062899304 348671902 /nfs/dbraw/zinc/67/19/02/348671902.db2.gz PVVFUHNUCOZUHO-AWEZNQCLSA-N 2 2 269.389 0.213 20 0 CCADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2noc(C3CC3)n2)C1 ZINC000063179958 348681564 /nfs/dbraw/zinc/68/15/64/348681564.db2.gz CZGHJDCKESQXRG-LLVKDONJSA-N 2 2 293.371 0.234 20 0 CCADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2noc(C3CC3)n2)C1 ZINC000063179958 348681568 /nfs/dbraw/zinc/68/15/68/348681568.db2.gz CZGHJDCKESQXRG-LLVKDONJSA-N 2 2 293.371 0.234 20 0 CCADLP CCn1cc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cn1 ZINC000068801208 348822045 /nfs/dbraw/zinc/82/20/45/348822045.db2.gz WTGKZCTVLBAAOY-TZMCWYRMSA-N 2 2 265.405 0.799 20 0 CCADLP CCn1cc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cn1 ZINC000068801208 348822047 /nfs/dbraw/zinc/82/20/47/348822047.db2.gz WTGKZCTVLBAAOY-TZMCWYRMSA-N 2 2 265.405 0.799 20 0 CCADLP CCS(=O)(=O)NCC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000068817772 348823743 /nfs/dbraw/zinc/82/37/43/348823743.db2.gz MYMREDXKYLUIIV-UHFFFAOYSA-N 2 2 291.461 0.730 20 0 CCADLP CCS(=O)(=O)NCC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000068817772 348823746 /nfs/dbraw/zinc/82/37/46/348823746.db2.gz MYMREDXKYLUIIV-UHFFFAOYSA-N 2 2 291.461 0.730 20 0 CCADLP CCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069859350 348863328 /nfs/dbraw/zinc/86/33/28/348863328.db2.gz JKOLORAMIUYZHM-HUUCEWRRSA-N 2 2 297.443 0.945 20 0 CCADLP CCCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069859350 348863329 /nfs/dbraw/zinc/86/33/29/348863329.db2.gz JKOLORAMIUYZHM-HUUCEWRRSA-N 2 2 297.443 0.945 20 0 CCADLP CC(C)(CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000070577364 348893422 /nfs/dbraw/zinc/89/34/22/348893422.db2.gz VOGFUITYCSIZOJ-OLZOCXBDSA-N 2 2 283.416 0.731 20 0 CCADLP CC[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)CC1CC1 ZINC000070012328 348868891 /nfs/dbraw/zinc/86/88/91/348868891.db2.gz UTOUKTMOJYIAFF-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP CC[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)CC1CC1 ZINC000070012328 348868893 /nfs/dbraw/zinc/86/88/93/348868893.db2.gz UTOUKTMOJYIAFF-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000070173904 348877014 /nfs/dbraw/zinc/87/70/14/348877014.db2.gz WUKPCEIVOOZYPL-VXGBXAGGSA-N 2 2 296.415 0.814 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000070173904 348877018 /nfs/dbraw/zinc/87/70/18/348877018.db2.gz WUKPCEIVOOZYPL-VXGBXAGGSA-N 2 2 296.415 0.814 20 0 CCADLP [NH3+]CCCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000070201592 348879442 /nfs/dbraw/zinc/87/94/42/348879442.db2.gz GNWYLOPUKPYYGH-UHFFFAOYSA-N 2 2 262.357 0.859 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000070252848 348881620 /nfs/dbraw/zinc/88/16/20/348881620.db2.gz OBZKIXDFNNINNA-VXGBXAGGSA-N 2 2 262.357 0.778 20 0 CCADLP COCCCNC(=O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000072981309 348940662 /nfs/dbraw/zinc/94/06/62/348940662.db2.gz USDOHZKOOMLNAG-CQSZACIVSA-N 2 2 285.432 0.945 20 0 CCADLP COCCCNC(=O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000072981309 348940665 /nfs/dbraw/zinc/94/06/65/348940665.db2.gz USDOHZKOOMLNAG-CQSZACIVSA-N 2 2 285.432 0.945 20 0 CCADLP COCCCNC(=O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000072981309 348940667 /nfs/dbraw/zinc/94/06/67/348940667.db2.gz USDOHZKOOMLNAG-CQSZACIVSA-N 2 2 285.432 0.945 20 0 CCADLP COCCCNC(=O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000072981309 348940670 /nfs/dbraw/zinc/94/06/70/348940670.db2.gz USDOHZKOOMLNAG-CQSZACIVSA-N 2 2 285.432 0.945 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H](C)[C@H]2C)C1 ZINC000339568491 215248782 /nfs/dbraw/zinc/24/87/82/215248782.db2.gz IYRAGRXDAOZOPS-RBSFLKMASA-N 2 2 297.443 0.800 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H](C)[C@H]2C)C1 ZINC000339568491 215248784 /nfs/dbraw/zinc/24/87/84/215248784.db2.gz IYRAGRXDAOZOPS-RBSFLKMASA-N 2 2 297.443 0.800 20 0 CCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2C[C@@H](C)[C@H]2C)C1 ZINC000339568491 215248786 /nfs/dbraw/zinc/24/87/86/215248786.db2.gz IYRAGRXDAOZOPS-RBSFLKMASA-N 2 2 297.443 0.800 20 0 CCADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2C[C@@H](C)[C@H]2C)C1 ZINC000339568491 215248789 /nfs/dbraw/zinc/24/87/89/215248789.db2.gz IYRAGRXDAOZOPS-RBSFLKMASA-N 2 2 297.443 0.800 20 0 CCADLP C(CN1CC[NH+](C[C@@H]2CCCO2)CC1)C[NH+]1CCOCC1 ZINC000075590118 349040089 /nfs/dbraw/zinc/04/00/89/349040089.db2.gz QVEGCKKZVPTXEY-INIZCTEOSA-N 2 2 297.443 0.505 20 0 CCADLP C[C@H]1C[NH+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC000076113039 349069991 /nfs/dbraw/zinc/06/99/91/349069991.db2.gz HKVPRMJCGBJAIP-KBPBESRZSA-N 2 2 297.443 0.801 20 0 CCADLP CC[NH+](CC)[C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000076058726 349067427 /nfs/dbraw/zinc/06/74/27/349067427.db2.gz BYEUJSFVYNFBOA-AWEZNQCLSA-N 2 2 255.406 0.735 20 0 CCADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)Cn2cc[nH+]c2)C[C@H](C)O1 ZINC000078656019 349148606 /nfs/dbraw/zinc/14/86/06/349148606.db2.gz SUZUXOVVCBICCR-BETUJISGSA-N 2 2 294.399 0.887 20 0 CCADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)Cn2cc[nH+]c2)C[C@H](C)O1 ZINC000078656019 349148608 /nfs/dbraw/zinc/14/86/08/349148608.db2.gz SUZUXOVVCBICCR-BETUJISGSA-N 2 2 294.399 0.887 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000080994381 349237996 /nfs/dbraw/zinc/23/79/96/349237996.db2.gz MPMHTYAXVMZDDE-RYUDHWBXSA-N 2 2 250.346 0.920 20 0 CCADLP O[C@H](CN1CCC([NH+]2CCCC2)CC1)C[NH+]1CCOCC1 ZINC000079881626 349192839 /nfs/dbraw/zinc/19/28/39/349192839.db2.gz HUTYWHXEOCTCPY-MRXNPFEDSA-N 2 2 297.443 0.240 20 0 CCADLP O[C@@H](CN1CCOCC1)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000079881626 349192844 /nfs/dbraw/zinc/19/28/44/349192844.db2.gz HUTYWHXEOCTCPY-MRXNPFEDSA-N 2 2 297.443 0.240 20 0 CCADLP C[NH+](C)Cc1cccc(C(=O)N2CC[NH+](CCO)CC2)c1 ZINC000087084197 349347120 /nfs/dbraw/zinc/34/71/20/349347120.db2.gz DZRQJJLRAISSFA-UHFFFAOYSA-N 2 2 291.395 0.498 20 0 CCADLP CC[C@](C)(O)C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000123612265 350078182 /nfs/dbraw/zinc/07/81/82/350078182.db2.gz JBEQEMZGYMPFAW-HNNXBMFYSA-N 2 2 293.415 0.826 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC2CCCCC2)[C@@H](C[NH3+])C1 ZINC000122661789 350068026 /nfs/dbraw/zinc/06/80/26/350068026.db2.gz XQLYFHGUWANSLZ-LBPRGKRZSA-N 2 2 254.378 0.603 20 0 CCADLP C[N@H+]1CCN(C(=O)NC2CCCCC2)[C@@H](C[NH3+])C1 ZINC000122661789 350068028 /nfs/dbraw/zinc/06/80/28/350068028.db2.gz XQLYFHGUWANSLZ-LBPRGKRZSA-N 2 2 254.378 0.603 20 0 CCADLP COc1cccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])c1OC ZINC000124240100 350091812 /nfs/dbraw/zinc/09/18/12/350091812.db2.gz XVXIKZSFOYVDBZ-CYBMUJFWSA-N 2 2 279.384 0.779 20 0 CCADLP COc1cccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])c1OC ZINC000124240100 350091814 /nfs/dbraw/zinc/09/18/14/350091814.db2.gz XVXIKZSFOYVDBZ-CYBMUJFWSA-N 2 2 279.384 0.779 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)NC(=O)NC(C)(C)C ZINC000124427546 350098795 /nfs/dbraw/zinc/09/87/95/350098795.db2.gz NSFXMNPBRMVXRY-UHFFFAOYSA-N 2 2 295.387 0.829 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)NC(=O)NC(C)(C)C ZINC000124427546 350098798 /nfs/dbraw/zinc/09/87/98/350098798.db2.gz NSFXMNPBRMVXRY-UHFFFAOYSA-N 2 2 295.387 0.829 20 0 CCADLP COC(=O)[C@]1([NH2+]CCCn2cc[nH+]c2C)CCOC1 ZINC000271259067 191035268 /nfs/dbraw/zinc/03/52/68/191035268.db2.gz ULILTRQVJBFZAI-ZDUSSCGKSA-N 2 2 267.329 0.503 20 0 CCADLP C[NH+](C)[C@@H]1CCCN(C(=O)NCC[NH+]2CCOCC2)C1 ZINC000105063556 186040176 /nfs/dbraw/zinc/04/01/76/186040176.db2.gz SZKVLNVFAIQUIQ-CYBMUJFWSA-N 2 2 284.404 0.054 20 0 CCADLP CC(C)(C)NC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129187750 350207660 /nfs/dbraw/zinc/20/76/60/350207660.db2.gz GIKYTLLKGYYAIM-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000130448822 350237983 /nfs/dbraw/zinc/23/79/83/350237983.db2.gz JJQHNYFZLNMEGD-CQSZACIVSA-N 2 2 277.368 0.774 20 0 CCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NCC(F)(F)F ZINC000131609202 350281477 /nfs/dbraw/zinc/28/14/77/350281477.db2.gz YXDJOKAIKCJKMW-SFYZADRCSA-N 2 2 253.268 0.334 20 0 CCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NCC(F)(F)F ZINC000131609202 350281481 /nfs/dbraw/zinc/28/14/81/350281481.db2.gz YXDJOKAIKCJKMW-SFYZADRCSA-N 2 2 253.268 0.334 20 0 CCADLP [NH3+]C1(C(=O)N2CCN(c3cccc[nH+]3)CC2)CCOCC1 ZINC000132065859 350296180 /nfs/dbraw/zinc/29/61/80/350296180.db2.gz VJVGTFACPQWBPL-UHFFFAOYSA-N 2 2 290.367 0.238 20 0 CCADLP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@@H]1CSC[NH2+]1 ZINC000131775081 350286816 /nfs/dbraw/zinc/28/68/16/350286816.db2.gz SUHGPZZEZHMMKQ-NSHDSACASA-N 2 2 293.396 0.092 20 0 CCADLP O=C(CC[C@H]1CCC[NH2+]C1)NCCc1[nH]cc[nH+]1 ZINC000139597148 350448037 /nfs/dbraw/zinc/44/80/37/350448037.db2.gz SWLNWUJIHHUXDE-LLVKDONJSA-N 2 2 250.346 0.848 20 0 CCADLP C[C@@H]1C[C@H](C)C[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000152607559 350534898 /nfs/dbraw/zinc/53/48/98/350534898.db2.gz STMLZZLLCYVMJS-BETUJISGSA-N 2 2 253.390 0.738 20 0 CCADLP OC1(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CCOCC1 ZINC000153472760 350558600 /nfs/dbraw/zinc/55/86/00/350558600.db2.gz BJYAZQFSBUJWKT-AWEZNQCLSA-N 2 2 284.400 0.182 20 0 CCADLP OC1(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CCOCC1 ZINC000153472760 350558611 /nfs/dbraw/zinc/55/86/11/350558611.db2.gz BJYAZQFSBUJWKT-AWEZNQCLSA-N 2 2 284.400 0.182 20 0 CCADLP CC[C@H](C(=O)NC[C@H](C)Cn1cc[nH+]c1)[NH+](C)C ZINC000155362191 350616596 /nfs/dbraw/zinc/61/65/96/350616596.db2.gz DIKLWMZFRRVQIN-NWDGAFQWSA-N 2 2 252.362 0.976 20 0 CCADLP COC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C1CC1 ZINC000155373169 350617440 /nfs/dbraw/zinc/61/74/40/350617440.db2.gz ZVVYHUIRTFGQTA-LSDHHAIUSA-N 2 2 297.443 0.944 20 0 CCADLP COC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)C1CC1 ZINC000155373169 350617441 /nfs/dbraw/zinc/61/74/41/350617441.db2.gz ZVVYHUIRTFGQTA-LSDHHAIUSA-N 2 2 297.443 0.944 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C2CC2)CC1)[C@H]1CCSC1 ZINC000155087136 350609986 /nfs/dbraw/zinc/60/99/86/350609986.db2.gz GBHSYMXABUJTPF-ZDUSSCGKSA-N 2 2 283.441 0.730 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C2CC2)CC1)[C@H]1CCSC1 ZINC000155087136 350609991 /nfs/dbraw/zinc/60/99/91/350609991.db2.gz GBHSYMXABUJTPF-ZDUSSCGKSA-N 2 2 283.441 0.730 20 0 CCADLP O=C1CNC(=O)N1CCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109792412 186272676 /nfs/dbraw/zinc/27/26/76/186272676.db2.gz HHOLNKKEXZCRCW-UHFFFAOYSA-N 2 2 291.355 0.462 20 0 CCADLP Cc1c(C[NH2+]C2CC[NH+](CC(=O)N(C)C)CC2)cnn1C ZINC000162162756 350737868 /nfs/dbraw/zinc/73/78/68/350737868.db2.gz PLRURTMQWKUQIS-UHFFFAOYSA-N 2 2 293.415 0.371 20 0 CCADLP C[N@@H+]1CCN(C(=O)CCOCC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000162487138 350744547 /nfs/dbraw/zinc/74/45/47/350744547.db2.gz BMXGBOHODJEEDX-VIFPVBQESA-N 2 2 283.294 0.057 20 0 CCADLP C[N@H+]1CCN(C(=O)CCOCC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000162487138 350744549 /nfs/dbraw/zinc/74/45/49/350744549.db2.gz BMXGBOHODJEEDX-VIFPVBQESA-N 2 2 283.294 0.057 20 0 CCADLP O=C(C[NH2+]C[C@@H]1CCCO1)NCCCn1cc[nH+]c1 ZINC000163382235 350765328 /nfs/dbraw/zinc/76/53/28/350765328.db2.gz YRRKCWPXXMHOCU-LBPRGKRZSA-N 2 2 266.345 0.158 20 0 CCADLP C[NH+](C)CCn1ccc(NC(=O)[C@H]2CSC[NH2+]2)n1 ZINC000166731768 350801047 /nfs/dbraw/zinc/80/10/47/350801047.db2.gz LGBKQTCOGFMHCP-SECBINFHSA-N 2 2 269.374 0.046 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH+]1CCC([NH+](C)C)CC1 ZINC000166949126 350804206 /nfs/dbraw/zinc/80/42/06/350804206.db2.gz UKGIAUPNMPYYBE-LBPRGKRZSA-N 2 2 258.362 0.327 20 0 CCADLP Cc1ccc(NCCCNC(=O)[C@H]2CSC[NH2+]2)[nH+]c1 ZINC000168949088 350833206 /nfs/dbraw/zinc/83/32/06/350833206.db2.gz AKTAHQNVYWEEIR-LLVKDONJSA-N 2 2 280.397 0.971 20 0 CCADLP CC[C@H](C)[N@H+](C)CCNC(=O)NCC[NH+]1CCOCC1 ZINC000170740317 350856174 /nfs/dbraw/zinc/85/61/74/350856174.db2.gz QPPUPMSIJIATFV-ZDUSSCGKSA-N 2 2 286.420 0.348 20 0 CCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)NCC[NH+]1CCOCC1 ZINC000170740317 350856178 /nfs/dbraw/zinc/85/61/78/350856178.db2.gz QPPUPMSIJIATFV-ZDUSSCGKSA-N 2 2 286.420 0.348 20 0 CCADLP C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000172770745 351009573 /nfs/dbraw/zinc/00/95/73/351009573.db2.gz KEQJSGHJYDFLKU-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000172770745 351009575 /nfs/dbraw/zinc/00/95/75/351009575.db2.gz KEQJSGHJYDFLKU-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173883093 351059881 /nfs/dbraw/zinc/05/98/81/351059881.db2.gz CNVCCDXKEMLXGP-CYBMUJFWSA-N 2 2 296.415 0.640 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173883093 351059883 /nfs/dbraw/zinc/05/98/83/351059883.db2.gz CNVCCDXKEMLXGP-CYBMUJFWSA-N 2 2 296.415 0.640 20 0 CCADLP C[C@@H]1C[C@@H]([NH+](C)CCCS(N)(=O)=O)CC[N@@H+]1C ZINC000172850157 351013706 /nfs/dbraw/zinc/01/37/06/351013706.db2.gz VAKRVCGCLOVCEU-MNOVXSKESA-N 2 2 263.407 0.080 20 0 CCADLP C[C@@H]1C[C@@H]([NH+](C)CCCS(N)(=O)=O)CC[N@H+]1C ZINC000172850157 351013707 /nfs/dbraw/zinc/01/37/07/351013707.db2.gz VAKRVCGCLOVCEU-MNOVXSKESA-N 2 2 263.407 0.080 20 0 CCADLP C[C@@H]1C[C@@H]([N@H+](C)CCCS(N)(=O)=O)CC[NH+]1C ZINC000172850157 351013710 /nfs/dbraw/zinc/01/37/10/351013710.db2.gz VAKRVCGCLOVCEU-MNOVXSKESA-N 2 2 263.407 0.080 20 0 CCADLP C[C@@H]1C[C@@H]([N@@H+](C)CCCS(N)(=O)=O)CC[NH+]1C ZINC000172850157 351013715 /nfs/dbraw/zinc/01/37/15/351013715.db2.gz VAKRVCGCLOVCEU-MNOVXSKESA-N 2 2 263.407 0.080 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NCC[NH+]2CCOCC2)C[N@@H+]1C1CC1 ZINC000176484996 351176649 /nfs/dbraw/zinc/17/66/49/351176649.db2.gz QETZXKQBXVOQFO-CHWSQXEVSA-N 2 2 296.415 0.243 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)NCC[NH+]2CCOCC2)C[N@H+]1C1CC1 ZINC000176484996 351176653 /nfs/dbraw/zinc/17/66/53/351176653.db2.gz QETZXKQBXVOQFO-CHWSQXEVSA-N 2 2 296.415 0.243 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000178763836 351244662 /nfs/dbraw/zinc/24/46/62/351244662.db2.gz XEFBUBPZGUFRKZ-RYUDHWBXSA-N 2 2 271.405 0.587 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000178763836 351244664 /nfs/dbraw/zinc/24/46/64/351244664.db2.gz XEFBUBPZGUFRKZ-RYUDHWBXSA-N 2 2 271.405 0.587 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000178763161 351245005 /nfs/dbraw/zinc/24/50/05/351245005.db2.gz QINUPBIXCMKNKQ-OLZOCXBDSA-N 2 2 283.416 0.731 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000178763161 351245007 /nfs/dbraw/zinc/24/50/07/351245007.db2.gz QINUPBIXCMKNKQ-OLZOCXBDSA-N 2 2 283.416 0.731 20 0 CCADLP COC[C@@H](O)C[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000182072977 351346677 /nfs/dbraw/zinc/34/66/77/351346677.db2.gz VAKIMCNFASYBMZ-OCCSQVGLSA-N 2 2 272.389 0.179 20 0 CCADLP COC[C@@H](O)C[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000182072977 351346680 /nfs/dbraw/zinc/34/66/80/351346680.db2.gz VAKIMCNFASYBMZ-OCCSQVGLSA-N 2 2 272.389 0.179 20 0 CCADLP CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000182218111 351352437 /nfs/dbraw/zinc/35/24/37/351352437.db2.gz ZQWMIPDIHAPVMK-NEPJUHHUSA-N 2 2 271.386 0.829 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000186729584 351510252 /nfs/dbraw/zinc/51/02/52/351510252.db2.gz QAYJLKGUGYQBHT-WCQYABFASA-N 2 2 285.351 0.995 20 0 CCADLP FC(F)COCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000189415559 351676396 /nfs/dbraw/zinc/67/63/96/351676396.db2.gz SIIZWYKTVBWSOC-GFCCVEGCSA-N 2 2 278.343 0.922 20 0 CCADLP FC(F)COCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000189415559 351676400 /nfs/dbraw/zinc/67/64/00/351676400.db2.gz SIIZWYKTVBWSOC-GFCCVEGCSA-N 2 2 278.343 0.922 20 0 CCADLP C[C@@H]1CC[C@H](C[NH+]2CCN(C(=O)C[NH+](C)C)CC2)O1 ZINC000190376694 351720593 /nfs/dbraw/zinc/72/05/93/351720593.db2.gz VWBPSADQJIJUHW-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP COc1cc[nH+]c(CN2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c1 ZINC000192823735 351799822 /nfs/dbraw/zinc/79/98/22/351799822.db2.gz FDRFKGGZAKTMSH-CHWSQXEVSA-N 2 2 279.384 0.977 20 0 CCADLP COc1cc[nH+]c(CN2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c1 ZINC000192823735 351799824 /nfs/dbraw/zinc/79/98/24/351799824.db2.gz FDRFKGGZAKTMSH-CHWSQXEVSA-N 2 2 279.384 0.977 20 0 CCADLP CC[NH+](CC)CCC[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000191498930 351761551 /nfs/dbraw/zinc/76/15/51/351761551.db2.gz RDTSZAGJOMXWNW-LBPRGKRZSA-N 2 2 277.434 0.342 20 0 CCADLP CC[NH+](CC)CCC[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000191498930 351761553 /nfs/dbraw/zinc/76/15/53/351761553.db2.gz RDTSZAGJOMXWNW-LBPRGKRZSA-N 2 2 277.434 0.342 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(CC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000191516291 351762160 /nfs/dbraw/zinc/76/21/60/351762160.db2.gz BSWVXKFFDNRKNP-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(CC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000191516291 351762165 /nfs/dbraw/zinc/76/21/65/351762165.db2.gz BSWVXKFFDNRKNP-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000193269052 351819350 /nfs/dbraw/zinc/81/93/50/351819350.db2.gz NMVKIYMVZZPGNR-AWEZNQCLSA-N 2 2 294.399 0.665 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000193269052 351819352 /nfs/dbraw/zinc/81/93/52/351819352.db2.gz NMVKIYMVZZPGNR-AWEZNQCLSA-N 2 2 294.399 0.665 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+](Cc2ccnc(N)c2)CC1 ZINC000193349703 351824167 /nfs/dbraw/zinc/82/41/67/351824167.db2.gz CYFFAQJJRBCPGB-UHFFFAOYSA-N 2 2 278.400 0.942 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccnc(N)c2)CC1 ZINC000193349703 351824170 /nfs/dbraw/zinc/82/41/70/351824170.db2.gz CYFFAQJJRBCPGB-UHFFFAOYSA-N 2 2 278.400 0.942 20 0 CCADLP CC[C@@]1(C(=O)N[C@H](C)Cn2cc[nH+]c2)CCC[NH2+]1 ZINC000215360112 351936120 /nfs/dbraw/zinc/93/61/20/351936120.db2.gz NFDFOOUIJJGTFA-YPMHNXCESA-N 2 2 250.346 0.920 20 0 CCADLP O=C(NCCc1cn2ccccc2[nH+]1)[C@@H]1CCC[NH2+]C1 ZINC000195144824 351898847 /nfs/dbraw/zinc/89/88/47/351898847.db2.gz PTXXFVVTPCFSPG-GFCCVEGCSA-N 2 2 272.352 0.993 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000218878432 351962967 /nfs/dbraw/zinc/96/29/67/351962967.db2.gz LBQYANFJOPMGEO-IJLUTSLNSA-N 2 2 250.346 0.905 20 0 CCADLP CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C[NH2+]C)C1)C(=O)OC ZINC000221292615 351977886 /nfs/dbraw/zinc/97/78/86/351977886.db2.gz CHKTZWDFGQBOGV-SGMGOOAPSA-N 2 2 299.415 0.232 20 0 CCADLP CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CC[C@@H](C[NH2+]C)C1)C(=O)OC ZINC000221292615 351977889 /nfs/dbraw/zinc/97/78/89/351977889.db2.gz CHKTZWDFGQBOGV-SGMGOOAPSA-N 2 2 299.415 0.232 20 0 CCADLP CCc1cc(NCCC[N@H+](C)CCOC)nc[nH+]1 ZINC000603380980 363100238 /nfs/dbraw/zinc/10/02/38/363100238.db2.gz DWHWZMKKLQGINP-UHFFFAOYSA-N 2 2 252.362 0.841 20 0 CCADLP CCc1cc(NCCC[N@@H+](C)CCOC)nc[nH+]1 ZINC000603380980 363100243 /nfs/dbraw/zinc/10/02/43/363100243.db2.gz DWHWZMKKLQGINP-UHFFFAOYSA-N 2 2 252.362 0.841 20 0 CCADLP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000228094634 352068152 /nfs/dbraw/zinc/06/81/52/352068152.db2.gz KNWLNZUULVMHIG-LSDHHAIUSA-N 2 2 290.411 0.357 20 0 CCADLP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000228094634 352068155 /nfs/dbraw/zinc/06/81/55/352068155.db2.gz KNWLNZUULVMHIG-LSDHHAIUSA-N 2 2 290.411 0.357 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cc(C(N)=O)cs1 ZINC000228725045 352083013 /nfs/dbraw/zinc/08/30/13/352083013.db2.gz AOWGDAXYUJJIMM-GFCCVEGCSA-N 2 2 271.386 0.249 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000229413947 352091087 /nfs/dbraw/zinc/09/10/87/352091087.db2.gz JUFDCUNCXTXAHQ-ZDUSSCGKSA-N 2 2 283.416 0.733 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000229413947 352091089 /nfs/dbraw/zinc/09/10/89/352091089.db2.gz JUFDCUNCXTXAHQ-ZDUSSCGKSA-N 2 2 283.416 0.733 20 0 CCADLP CC[NH2+]CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655413161 412561723 /nfs/dbraw/zinc/56/17/23/412561723.db2.gz NDLMUMQTMOWMDJ-LLVKDONJSA-N 2 2 250.346 0.561 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCOCC(F)F)n1C ZINC000234288580 352156404 /nfs/dbraw/zinc/15/64/04/352156404.db2.gz ZGBQPJKVXNOQMC-UHFFFAOYSA-N 2 2 262.304 0.857 20 0 CCADLP COCC1(C(=O)NCCCn2cc[nH+]c2)CC[NH2+]CC1 ZINC000234654843 352164657 /nfs/dbraw/zinc/16/46/57/352164657.db2.gz ZEFJRRAXANCKSQ-UHFFFAOYSA-N 2 2 280.372 0.406 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC(C)(C)[NH+]2CCOCC2)CC[NH2+]1 ZINC000235687853 352186689 /nfs/dbraw/zinc/18/66/89/352186689.db2.gz DSYNPBXSEDLVGX-STQMWFEESA-N 2 2 283.416 0.602 20 0 CCADLP CO[C@@H](C[NH3+])CC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000232113010 352139944 /nfs/dbraw/zinc/13/99/44/352139944.db2.gz ARJFJIWXPIJRNN-CYBMUJFWSA-N 2 2 292.383 0.530 20 0 CCADLP C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000237449706 352265700 /nfs/dbraw/zinc/26/57/00/352265700.db2.gz XMIPXYOJXZPTDN-UKRRQHHQSA-N 2 2 291.395 0.913 20 0 CCADLP O=C(NC[C@H]1CCC[NH2+]C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655413539 412563052 /nfs/dbraw/zinc/56/30/52/412563052.db2.gz CMIQHGAREKVINN-NWDGAFQWSA-N 2 2 262.357 0.561 20 0 CCADLP C[C@@H]1CN(c2ccc(CNC(=O)CC[NH3+])c[nH+]2)C[C@@H](C)O1 ZINC000237527099 352269861 /nfs/dbraw/zinc/26/98/61/352269861.db2.gz GTJGWSLTYRGVHR-VXGBXAGGSA-N 2 2 292.383 0.660 20 0 CCADLP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C[NH+](C)C)C[C@@H](C)O1 ZINC000245392857 352318401 /nfs/dbraw/zinc/31/84/01/352318401.db2.gz BTXDMMPYQBQVNG-MGPQQGTHSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000245401320 352319821 /nfs/dbraw/zinc/31/98/21/352319821.db2.gz DMGJFFBQZZMSTP-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000245401320 352319823 /nfs/dbraw/zinc/31/98/23/352319823.db2.gz DMGJFFBQZZMSTP-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418220931 234031683 /nfs/dbraw/zinc/03/16/83/234031683.db2.gz VERZLPOYTYBQFK-PWSUYJOCSA-N 2 2 278.356 0.887 20 0 CCADLP CC(C)[C@@H]1C(=O)NCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000245688926 352333692 /nfs/dbraw/zinc/33/36/92/352333692.db2.gz VQRUIFVRPWTREL-CHWSQXEVSA-N 2 2 253.390 0.927 20 0 CCADLP CC(C)[C@@H]1C(=O)NCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000245688926 352333695 /nfs/dbraw/zinc/33/36/95/352333695.db2.gz VQRUIFVRPWTREL-CHWSQXEVSA-N 2 2 253.390 0.927 20 0 CCADLP CC(C)[C@@H]1C(=O)NCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000245688926 352333698 /nfs/dbraw/zinc/33/36/98/352333698.db2.gz VQRUIFVRPWTREL-CHWSQXEVSA-N 2 2 253.390 0.927 20 0 CCADLP CC(C)[C@@H]1C(=O)NCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000245688926 352333701 /nfs/dbraw/zinc/33/37/01/352333701.db2.gz VQRUIFVRPWTREL-CHWSQXEVSA-N 2 2 253.390 0.927 20 0 CCADLP O=C1OCC[C@@H]1CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246339065 352362041 /nfs/dbraw/zinc/36/20/41/352362041.db2.gz FFLDISAAFSENLL-KGLIPLIRSA-N 2 2 282.384 0.594 20 0 CCADLP O=C1OCC[C@@H]1CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246339065 352362045 /nfs/dbraw/zinc/36/20/45/352362045.db2.gz FFLDISAAFSENLL-KGLIPLIRSA-N 2 2 282.384 0.594 20 0 CCADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)N1CCOCC1 ZINC000247073694 352397602 /nfs/dbraw/zinc/39/76/02/352397602.db2.gz NDUCWNYEZPNGMS-MJBXVCDLSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)N1CCOCC1 ZINC000247073694 352397605 /nfs/dbraw/zinc/39/76/05/352397605.db2.gz NDUCWNYEZPNGMS-MJBXVCDLSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@]1(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)CCC[NH2+]1 ZINC000248714690 352455534 /nfs/dbraw/zinc/45/55/34/352455534.db2.gz KIOOLGQDKNPDCI-OFQRWUPVSA-N 2 2 295.427 0.698 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1 ZINC000250369642 352504633 /nfs/dbraw/zinc/50/46/33/352504633.db2.gz HWKZIDCBVGJYNF-HUUCEWRRSA-N 2 2 293.411 0.262 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1 ZINC000250369642 352504637 /nfs/dbraw/zinc/50/46/37/352504637.db2.gz HWKZIDCBVGJYNF-HUUCEWRRSA-N 2 2 293.411 0.262 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCS(=O)(=O)C2)CC1(C)C ZINC000251150703 352509436 /nfs/dbraw/zinc/50/94/36/352509436.db2.gz LCSBBRCBDKAHPH-QWRGUYRKSA-N 2 2 260.403 0.636 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CCS(=O)(=O)C2)CC1(C)C ZINC000251150703 352509438 /nfs/dbraw/zinc/50/94/38/352509438.db2.gz LCSBBRCBDKAHPH-QWRGUYRKSA-N 2 2 260.403 0.636 20 0 CCADLP C[C@H]1C[N@H+](CC(=O)NC(=O)NC2CCCC2)CC[C@H]1[NH3+] ZINC000251884389 352512700 /nfs/dbraw/zinc/51/27/00/352512700.db2.gz VAUPZKJAKKDTPT-CMPLNLGQSA-N 2 2 282.388 0.424 20 0 CCADLP C[C@H]1C[N@@H+](CC(=O)NC(=O)NC2CCCC2)CC[C@H]1[NH3+] ZINC000251884389 352512705 /nfs/dbraw/zinc/51/27/05/352512705.db2.gz VAUPZKJAKKDTPT-CMPLNLGQSA-N 2 2 282.388 0.424 20 0 CCADLP CCC(C)(C)NC(=O)[C@H](C)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453600 352514725 /nfs/dbraw/zinc/51/47/25/352514725.db2.gz OSHJRGWWNULUGO-SRVKXCTJSA-N 2 2 253.390 0.831 20 0 CCADLP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261578770 352561709 /nfs/dbraw/zinc/56/17/09/352561709.db2.gz PBEFESWEWIQEGA-SGMGOOAPSA-N 2 2 253.390 0.975 20 0 CCADLP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261578770 352561712 /nfs/dbraw/zinc/56/17/12/352561712.db2.gz PBEFESWEWIQEGA-SGMGOOAPSA-N 2 2 253.390 0.975 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CN(CC(C)(C)[NH3+])CCN1C ZINC000262035683 352571990 /nfs/dbraw/zinc/57/19/90/352571990.db2.gz XQOHWECTBWSLIA-NSHDSACASA-N 2 2 251.378 0.446 20 0 CCADLP COC(=O)C(C)(C)N1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262045897 352573222 /nfs/dbraw/zinc/57/32/22/352573222.db2.gz PQQVUEUJQRGSOS-OAHLLOKOSA-N 2 2 283.416 0.555 20 0 CCADLP Cc1cc(NC[C@@H](O)C[NH+]2CCOCC2)nc(C2CC2)[nH+]1 ZINC000265373323 352634530 /nfs/dbraw/zinc/63/45/30/352634530.db2.gz PBBYSFMAOINASI-CYBMUJFWSA-N 2 2 292.383 0.767 20 0 CCADLP CCOC(=O)CCC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266881146 352729231 /nfs/dbraw/zinc/72/92/31/352729231.db2.gz AHMLJRAVHFWKFL-UHFFFAOYSA-N 2 2 280.372 0.885 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266900083 352730262 /nfs/dbraw/zinc/73/02/62/352730262.db2.gz GHWCIKKPSSNPFB-NSHDSACASA-N 2 2 277.372 0.209 20 0 CCADLP C[C@@H](NC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](C)[NH3+] ZINC000418716870 234213406 /nfs/dbraw/zinc/21/34/06/234213406.db2.gz ZXYKWCITXPDIKR-NWDGAFQWSA-N 2 2 277.372 0.649 20 0 CCADLP C[C@@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)[C@H](C)[NH3+] ZINC000418732569 234217977 /nfs/dbraw/zinc/21/79/77/234217977.db2.gz UWHUSJZUYWSDNL-QWHCGFSZSA-N 2 2 291.399 0.645 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000269714508 352867492 /nfs/dbraw/zinc/86/74/92/352867492.db2.gz VSMFQXMENLCYHF-RYUDHWBXSA-N 2 2 282.413 0.825 20 0 CCADLP CC[N@H+](CCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC000270833641 352993391 /nfs/dbraw/zinc/99/33/91/352993391.db2.gz DLIQWVVYLZKJAM-LBPRGKRZSA-N 2 2 271.386 0.701 20 0 CCADLP CC[N@@H+](CCn1cc[nH+]c1C)[C@H]1CCS(=O)(=O)C1 ZINC000270833641 352993394 /nfs/dbraw/zinc/99/33/94/352993394.db2.gz DLIQWVVYLZKJAM-LBPRGKRZSA-N 2 2 271.386 0.701 20 0 CCADLP C[N@@H+]1CCc2ncnc(SCC[NH+]3CCOCC3)c2C1 ZINC000270545983 352946346 /nfs/dbraw/zinc/94/63/46/352946346.db2.gz YYISGRKUSILSCX-UHFFFAOYSA-N 2 2 294.424 0.889 20 0 CCADLP C[N@H+]1CCc2ncnc(SCC[NH+]3CCOCC3)c2C1 ZINC000270545983 352946350 /nfs/dbraw/zinc/94/63/50/352946350.db2.gz YYISGRKUSILSCX-UHFFFAOYSA-N 2 2 294.424 0.889 20 0 CCADLP Cc1cc(C)c(CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)c[nH+]1 ZINC000418890535 234253734 /nfs/dbraw/zinc/25/37/34/234253734.db2.gz RVDYVDSDJGAOAW-ZDUSSCGKSA-N 2 2 290.367 0.264 20 0 CCADLP CCc1cc(NC[C@@H](O)C[NH+]2CCOCC2)nc(C)[nH+]1 ZINC000272811276 353096416 /nfs/dbraw/zinc/09/64/16/353096416.db2.gz COPRADYDCNOEQL-CYBMUJFWSA-N 2 2 280.372 0.452 20 0 CCADLP CC(C)(CNC(=O)[C@H]1C[C@]12CCC[NH2+]C2)[NH+]1CCOCC1 ZINC000655442048 412572121 /nfs/dbraw/zinc/57/21/21/412572121.db2.gz AMEPGDKPWMXSOF-CJNGLKHVSA-N 2 2 295.427 0.603 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655444785 412573331 /nfs/dbraw/zinc/57/33/31/412573331.db2.gz QGJBNPMUXYKFBN-IPYPFGDCSA-N 2 2 281.400 0.213 20 0 CCADLP CC[N@@H+]1CCO[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC000604720704 363208790 /nfs/dbraw/zinc/20/87/90/363208790.db2.gz NOAZJTVYERCNBD-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP CC[N@H+]1CCO[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC000604720704 363208795 /nfs/dbraw/zinc/20/87/95/363208795.db2.gz NOAZJTVYERCNBD-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000278161527 353285564 /nfs/dbraw/zinc/28/55/64/353285564.db2.gz BPDYPGASMQQZBA-NSHDSACASA-N 2 2 262.313 0.945 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[N@H+](C)C1CC1 ZINC000280498659 353366262 /nfs/dbraw/zinc/36/62/62/353366262.db2.gz FXBSRTIEQVDNHK-UHFFFAOYSA-N 2 2 250.346 0.563 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[N@@H+](C)C1CC1 ZINC000280498659 353366265 /nfs/dbraw/zinc/36/62/65/353366265.db2.gz FXBSRTIEQVDNHK-UHFFFAOYSA-N 2 2 250.346 0.563 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[N@H+](C)CC1(C)C ZINC000281174651 353389553 /nfs/dbraw/zinc/38/95/53/353389553.db2.gz LKOMWUDJVLMHOG-UHFFFAOYSA-N 2 2 264.373 0.905 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[N@@H+](C)CC1(C)C ZINC000281174651 353389555 /nfs/dbraw/zinc/38/95/55/353389555.db2.gz LKOMWUDJVLMHOG-UHFFFAOYSA-N 2 2 264.373 0.905 20 0 CCADLP COc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)nn1 ZINC000283205492 353489792 /nfs/dbraw/zinc/48/97/92/353489792.db2.gz RPDLGKRJNQFFDH-LLVKDONJSA-N 2 2 250.346 0.869 20 0 CCADLP COc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)nn1 ZINC000283205492 353489794 /nfs/dbraw/zinc/48/97/94/353489794.db2.gz RPDLGKRJNQFFDH-LLVKDONJSA-N 2 2 250.346 0.869 20 0 CCADLP CC1([NH3+])CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000655457256 412579751 /nfs/dbraw/zinc/57/97/51/412579751.db2.gz ODGZMQSKPIRPHH-LLVKDONJSA-N 2 2 262.357 0.785 20 0 CCADLP CCc1nc(N(C)C[C@@H](O)C[NH+]2CCOCC2)cc(C)[nH+]1 ZINC000283427310 353507693 /nfs/dbraw/zinc/50/76/93/353507693.db2.gz BESQQJVVQNZZQU-CYBMUJFWSA-N 2 2 294.399 0.477 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH+]1CCSCC1 ZINC000287411101 353644859 /nfs/dbraw/zinc/64/48/59/353644859.db2.gz KRCBEJHFEOSFIE-UHFFFAOYSA-N 2 2 268.386 0.507 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000286889702 353616312 /nfs/dbraw/zinc/61/63/12/353616312.db2.gz GBWWIISREUPIAL-NSHDSACASA-N 2 2 260.341 0.943 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNc2nc(C(N)=O)cs2)CC1 ZINC000293030276 353786495 /nfs/dbraw/zinc/78/64/95/353786495.db2.gz LDGZEQOACRKFGJ-UHFFFAOYSA-N 2 2 297.428 0.680 20 0 CCADLP CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655465482 412583435 /nfs/dbraw/zinc/58/34/35/412583435.db2.gz MPDWFFMWQRDNKA-MNOVXSKESA-N 2 2 262.357 0.702 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000296601359 353953145 /nfs/dbraw/zinc/95/31/45/353953145.db2.gz XYCLPECVEOYZIQ-TXEJJXNPSA-N 2 2 279.388 0.926 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000296601359 353953146 /nfs/dbraw/zinc/95/31/46/353953146.db2.gz XYCLPECVEOYZIQ-TXEJJXNPSA-N 2 2 279.388 0.926 20 0 CCADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH+]1CCOCC1 ZINC000299680986 354038808 /nfs/dbraw/zinc/03/88/08/354038808.db2.gz SRGQNBBOGDJPCP-GFCCVEGCSA-N 2 2 266.345 0.110 20 0 CCADLP CO[C@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000300657920 354067137 /nfs/dbraw/zinc/06/71/37/354067137.db2.gz VZCOWZAEGYZBOP-NEPJUHHUSA-N 2 2 269.389 0.164 20 0 CCADLP CS[C@H](CO)[C@H](C)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000300703787 354067725 /nfs/dbraw/zinc/06/77/25/354067725.db2.gz NRQNGPNQSNBLTM-WRWGMCAJSA-N 2 2 262.419 0.455 20 0 CCADLP C[C@H](NC(=O)NCc1[nH+]ccn1C)C1CC[NH+](C)CC1 ZINC000606670363 363302380 /nfs/dbraw/zinc/30/23/80/363302380.db2.gz FFRQQKMPEJPGFA-NSHDSACASA-N 2 2 279.388 0.950 20 0 CCADLP Cc1cc(NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)nc[nH+]1 ZINC000301267830 354074856 /nfs/dbraw/zinc/07/48/56/354074856.db2.gz XAENZPVYLZPMHL-GFCCVEGCSA-N 2 2 277.372 0.784 20 0 CCADLP Cc1cc(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)nc[nH+]1 ZINC000301267830 354074859 /nfs/dbraw/zinc/07/48/59/354074859.db2.gz XAENZPVYLZPMHL-GFCCVEGCSA-N 2 2 277.372 0.784 20 0 CCADLP Cc1cc(NC(=O)CC[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)no1 ZINC000299912631 354056678 /nfs/dbraw/zinc/05/66/78/354056678.db2.gz APQYKEFSMNLAJB-NWDGAFQWSA-N 2 2 278.356 0.995 20 0 CCADLP Cc1cc(NC(=O)CC[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)no1 ZINC000299912631 354056683 /nfs/dbraw/zinc/05/66/83/354056683.db2.gz APQYKEFSMNLAJB-NWDGAFQWSA-N 2 2 278.356 0.995 20 0 CCADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(CCO)CC1 ZINC000305185590 354136388 /nfs/dbraw/zinc/13/63/88/354136388.db2.gz PIVSGLGEZRNFMD-UHFFFAOYSA-N 2 2 266.389 0.582 20 0 CCADLP Cc1[nH+]ccn1CCCCN1CC[NH+](CCO)CC1 ZINC000305185590 354136390 /nfs/dbraw/zinc/13/63/90/354136390.db2.gz PIVSGLGEZRNFMD-UHFFFAOYSA-N 2 2 266.389 0.582 20 0 CCADLP COC(=O)[C@@H](O)C1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000305734157 354156993 /nfs/dbraw/zinc/15/69/93/354156993.db2.gz OSIFAUAHBGHJBZ-LBPRGKRZSA-N 2 2 267.329 0.129 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCSC[C@@H]1C ZINC000310564249 354189876 /nfs/dbraw/zinc/18/98/76/354189876.db2.gz WVMCRZOFTRXREJ-RYUDHWBXSA-N 2 2 262.419 0.363 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCSC[C@@H]1C ZINC000310564249 354189881 /nfs/dbraw/zinc/18/98/81/354189881.db2.gz WVMCRZOFTRXREJ-RYUDHWBXSA-N 2 2 262.419 0.363 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCSC[C@@H]1C ZINC000310564249 354189883 /nfs/dbraw/zinc/18/98/83/354189883.db2.gz WVMCRZOFTRXREJ-RYUDHWBXSA-N 2 2 262.419 0.363 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCSC[C@@H]1C ZINC000310564249 354189888 /nfs/dbraw/zinc/18/98/88/354189888.db2.gz WVMCRZOFTRXREJ-RYUDHWBXSA-N 2 2 262.419 0.363 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCSC1 ZINC000310459142 354190500 /nfs/dbraw/zinc/19/05/00/354190500.db2.gz ALADIVRUAQJBFO-NWDGAFQWSA-N 2 2 262.419 0.363 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCSC1 ZINC000310459142 354190502 /nfs/dbraw/zinc/19/05/02/354190502.db2.gz ALADIVRUAQJBFO-NWDGAFQWSA-N 2 2 262.419 0.363 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H]1CCSC1 ZINC000310459142 354190503 /nfs/dbraw/zinc/19/05/03/354190503.db2.gz ALADIVRUAQJBFO-NWDGAFQWSA-N 2 2 262.419 0.363 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H]1CCSC1 ZINC000310459142 354190505 /nfs/dbraw/zinc/19/05/05/354190505.db2.gz ALADIVRUAQJBFO-NWDGAFQWSA-N 2 2 262.419 0.363 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)C(C)(C)COC ZINC000310966416 354194490 /nfs/dbraw/zinc/19/44/90/354194490.db2.gz OQSBSOUXUURIHP-LBPRGKRZSA-N 2 2 262.394 0.282 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)C(C)(C)COC ZINC000310966416 354194492 /nfs/dbraw/zinc/19/44/92/354194492.db2.gz OQSBSOUXUURIHP-LBPRGKRZSA-N 2 2 262.394 0.282 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)C(C)(C)COC ZINC000310966416 354194495 /nfs/dbraw/zinc/19/44/95/354194495.db2.gz OQSBSOUXUURIHP-LBPRGKRZSA-N 2 2 262.394 0.282 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)C(C)(C)COC ZINC000310966416 354194498 /nfs/dbraw/zinc/19/44/98/354194498.db2.gz OQSBSOUXUURIHP-LBPRGKRZSA-N 2 2 262.394 0.282 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)CCc1ccncc1 ZINC000313036341 354211678 /nfs/dbraw/zinc/21/16/78/354211678.db2.gz FOYUNCWPSNIEKU-HNNXBMFYSA-N 2 2 281.400 0.495 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)CCc1ccncc1 ZINC000313036341 354211681 /nfs/dbraw/zinc/21/16/81/354211681.db2.gz FOYUNCWPSNIEKU-HNNXBMFYSA-N 2 2 281.400 0.495 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)CCc1ccncc1 ZINC000313036341 354211682 /nfs/dbraw/zinc/21/16/82/354211682.db2.gz FOYUNCWPSNIEKU-HNNXBMFYSA-N 2 2 281.400 0.495 20 0 CCADLP CC[C@H]1CCCCN1C(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313352161 354214262 /nfs/dbraw/zinc/21/42/62/354214262.db2.gz NREKVZNBJFUWDS-UONOGXRCSA-N 2 2 283.416 0.827 20 0 CCADLP CC[C@H]1CCCCN1C(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313352161 354214265 /nfs/dbraw/zinc/21/42/65/354214265.db2.gz NREKVZNBJFUWDS-UONOGXRCSA-N 2 2 283.416 0.827 20 0 CCADLP C[NH+](C)CC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000328635840 354243221 /nfs/dbraw/zinc/24/32/21/354243221.db2.gz NQRASIZHPYQWTP-ZDUSSCGKSA-N 2 2 269.389 0.117 20 0 CCADLP C[NH+](C)CC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000328635840 354243224 /nfs/dbraw/zinc/24/32/24/354243224.db2.gz NQRASIZHPYQWTP-ZDUSSCGKSA-N 2 2 269.389 0.117 20 0 CCADLP Cc1nc(NCC[NH+]2CCC(C)CC2)nc(N(C)C)[nH+]1 ZINC000330054481 354289461 /nfs/dbraw/zinc/28/94/61/354289461.db2.gz SBOHOWOYTLGIEB-UHFFFAOYSA-N 2 2 278.404 0.812 20 0 CCADLP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C)C[C@H]1C[NH3+] ZINC000557196946 291026127 /nfs/dbraw/zinc/02/61/27/291026127.db2.gz IWWDLWQKDZCNJJ-UONOGXRCSA-N 3 2 297.447 0.145 20 0 CCADLP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C)C[C@H]1C[NH3+] ZINC000557196946 291026128 /nfs/dbraw/zinc/02/61/28/291026128.db2.gz IWWDLWQKDZCNJJ-UONOGXRCSA-N 3 2 297.447 0.145 20 0 CCADLP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@H](O)C[NH+](C)C ZINC000331067918 354436720 /nfs/dbraw/zinc/43/67/20/354436720.db2.gz AJEFZSBPSQLLHL-CMPLNLGQSA-N 2 2 252.362 0.310 20 0 CCADLP Cc1nc(NC[C@H]2[NH2+]CCCC2(C)C)nc(N(C)C)[nH+]1 ZINC000557322753 291030855 /nfs/dbraw/zinc/03/08/55/291030855.db2.gz DQPSNMWJWWRYQW-LLVKDONJSA-N 2 2 278.404 0.858 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000557613382 291038281 /nfs/dbraw/zinc/03/82/81/291038281.db2.gz DLDMRZRPMQVLEH-LLVKDONJSA-N 2 2 279.388 0.444 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NCc2c[nH+]c(N(C)C)n2C)C1 ZINC000557613382 291038284 /nfs/dbraw/zinc/03/82/84/291038284.db2.gz DLDMRZRPMQVLEH-LLVKDONJSA-N 2 2 279.388 0.444 20 0 CCADLP O=C(N[C@H]1CCC[NH2+]C1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000333754610 354789024 /nfs/dbraw/zinc/78/90/24/354789024.db2.gz ZORMHLQBYITMDX-STQMWFEESA-N 2 2 277.372 0.809 20 0 CCADLP Cn1cc(N2CC[N@H+](CC[C@H]3CC[NH2+]C3)CC2=O)cn1 ZINC000333903600 354813709 /nfs/dbraw/zinc/81/37/09/354813709.db2.gz ZTZBGRDUVQJBSO-GFCCVEGCSA-N 2 2 277.372 0.068 20 0 CCADLP Cn1cc(N2CC[N@@H+](CC[C@H]3CC[NH2+]C3)CC2=O)cn1 ZINC000333903600 354813711 /nfs/dbraw/zinc/81/37/11/354813711.db2.gz ZTZBGRDUVQJBSO-GFCCVEGCSA-N 2 2 277.372 0.068 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000608013386 363391361 /nfs/dbraw/zinc/39/13/61/363391361.db2.gz CCXMGCUVOHGPLJ-ZDUSSCGKSA-N 2 2 262.357 0.970 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NC(=O)NC)C1 ZINC000081571941 283062464 /nfs/dbraw/zinc/06/24/64/283062464.db2.gz WEKRJZFDJLUVOJ-RYUDHWBXSA-N 2 2 284.404 0.494 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NC(=O)NC)C1 ZINC000081571941 283062468 /nfs/dbraw/zinc/06/24/68/283062468.db2.gz WEKRJZFDJLUVOJ-RYUDHWBXSA-N 2 2 284.404 0.494 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C1 ZINC000081571941 283062469 /nfs/dbraw/zinc/06/24/69/283062469.db2.gz WEKRJZFDJLUVOJ-RYUDHWBXSA-N 2 2 284.404 0.494 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC(=O)NC)C1 ZINC000081571941 283062472 /nfs/dbraw/zinc/06/24/72/283062472.db2.gz WEKRJZFDJLUVOJ-RYUDHWBXSA-N 2 2 284.404 0.494 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000334702272 354927769 /nfs/dbraw/zinc/92/77/69/354927769.db2.gz SUSVZJJYHUMPRD-UHFFFAOYSA-N 2 2 251.374 0.824 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000423549254 235004338 /nfs/dbraw/zinc/00/43/38/235004338.db2.gz NEWDMHPRFDQTNU-YUELXQCFSA-N 2 2 295.427 0.744 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000423549254 235004340 /nfs/dbraw/zinc/00/43/40/235004340.db2.gz NEWDMHPRFDQTNU-YUELXQCFSA-N 2 2 295.427 0.744 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000423529787 283059489 /nfs/dbraw/zinc/05/94/89/283059489.db2.gz YFFVMFJWNXSZPE-BARDWOONSA-N 3 2 266.433 0.352 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000423529787 283059492 /nfs/dbraw/zinc/05/94/92/283059492.db2.gz YFFVMFJWNXSZPE-BARDWOONSA-N 3 2 266.433 0.352 20 0 CCADLP O=C(Cc1cn2ccccc2[nH+]1)N[C@H]1C[NH2+]CCC1(F)F ZINC000334652587 354918564 /nfs/dbraw/zinc/91/85/64/354918564.db2.gz LIXLQAGGHKAUFC-NSHDSACASA-N 2 2 294.305 0.990 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)N3CC[C@@H]([NH3+])C3)cn21 ZINC000335193258 354982730 /nfs/dbraw/zinc/98/27/30/354982730.db2.gz JGUHHLUWIFTUFL-LLVKDONJSA-N 2 2 273.340 0.885 20 0 CCADLP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000335859347 355029720 /nfs/dbraw/zinc/02/97/20/355029720.db2.gz YAQWFMKMMXIUTF-QWRGUYRKSA-N 2 2 250.346 0.893 20 0 CCADLP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000335859347 355029724 /nfs/dbraw/zinc/02/97/24/355029724.db2.gz YAQWFMKMMXIUTF-QWRGUYRKSA-N 2 2 250.346 0.893 20 0 CCADLP Nc1cc[nH+]cc1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000423754290 235057902 /nfs/dbraw/zinc/05/79/02/235057902.db2.gz HURKYXJYULIJSL-NSHDSACASA-N 2 2 276.340 0.087 20 0 CCADLP Nc1cc[nH+]cc1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000423754290 235057908 /nfs/dbraw/zinc/05/79/08/235057908.db2.gz HURKYXJYULIJSL-NSHDSACASA-N 2 2 276.340 0.087 20 0 CCADLP C[C@@H](C[NH3+])C(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000423923435 235120034 /nfs/dbraw/zinc/12/00/34/235120034.db2.gz BYXKEDOTSNQOES-RYUDHWBXSA-N 2 2 292.383 0.722 20 0 CCADLP CC(C)OCC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000336689791 355136230 /nfs/dbraw/zinc/13/62/30/355136230.db2.gz ANUNXNAMTZIXPE-UHFFFAOYSA-N 2 2 252.362 0.967 20 0 CCADLP COC[C@H](C)[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000336697583 355139661 /nfs/dbraw/zinc/13/96/61/355139661.db2.gz DGYRTMUNLHFSPN-LBPRGKRZSA-N 2 2 252.362 0.573 20 0 CCADLP CC1(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)COC1 ZINC000336712473 355145552 /nfs/dbraw/zinc/14/55/52/355145552.db2.gz OOBVFDKLQAFWJU-CYBMUJFWSA-N 2 2 254.374 0.677 20 0 CCADLP CC1(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)COC1 ZINC000336712473 355145556 /nfs/dbraw/zinc/14/55/56/355145556.db2.gz OOBVFDKLQAFWJU-CYBMUJFWSA-N 2 2 254.374 0.677 20 0 CCADLP C(C[NH+]1CCOCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000336719172 355149380 /nfs/dbraw/zinc/14/93/80/355149380.db2.gz VIFMLKQQASOPOQ-CQSZACIVSA-N 2 2 253.390 0.489 20 0 CCADLP C(C[NH+]1CCOCC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000336719172 355149382 /nfs/dbraw/zinc/14/93/82/355149382.db2.gz VIFMLKQQASOPOQ-CQSZACIVSA-N 2 2 253.390 0.489 20 0 CCADLP Cc1[nH+]ccn1CCCN(C)C(=O)[C@H]1COCC[NH2+]1 ZINC000424177792 235168242 /nfs/dbraw/zinc/16/82/42/235168242.db2.gz VHAGFURTRFMVSB-GFCCVEGCSA-N 2 2 266.345 0.028 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCS[C@@H]2COCC[C@H]21)C1CC1 ZINC000336814393 355189129 /nfs/dbraw/zinc/18/91/29/355189129.db2.gz XAMKWVBLVQDAPY-BFHYXJOUSA-N 2 2 286.441 0.648 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCS[C@@H]2COCC[C@H]21)C1CC1 ZINC000336814393 355189132 /nfs/dbraw/zinc/18/91/32/355189132.db2.gz XAMKWVBLVQDAPY-BFHYXJOUSA-N 2 2 286.441 0.648 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCS[C@@H]2COCC[C@H]21)C1CC1 ZINC000336814393 355189136 /nfs/dbraw/zinc/18/91/36/355189136.db2.gz XAMKWVBLVQDAPY-BFHYXJOUSA-N 2 2 286.441 0.648 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCS[C@@H]2COCC[C@H]21)C1CC1 ZINC000336814393 355189137 /nfs/dbraw/zinc/18/91/37/355189137.db2.gz XAMKWVBLVQDAPY-BFHYXJOUSA-N 2 2 286.441 0.648 20 0 CCADLP O=C(C[C@H]1CSCC[NH2+]1)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424195320 235175772 /nfs/dbraw/zinc/17/57/72/235175772.db2.gz SRKOUAXUHAGVGF-UWVGGRQHSA-N 2 2 293.383 0.443 20 0 CCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)CC1([NH+](C)C)CCC1 ZINC000336827232 355202914 /nfs/dbraw/zinc/20/29/14/355202914.db2.gz SGEBMKGQGJCQPR-CQSZACIVSA-N 2 2 285.432 0.096 20 0 CCADLP COC(=O)[C@]1([NH2+]CCCn2cc[nH+]c2)CCOC1 ZINC000271792206 191330439 /nfs/dbraw/zinc/33/04/39/191330439.db2.gz AKMDKQNYNYCYSN-LBPRGKRZSA-N 2 2 253.302 0.195 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424285581 235194611 /nfs/dbraw/zinc/19/46/11/235194611.db2.gz FXWRVBCHOYZVLR-QXSJWSMHSA-N 3 2 277.412 0.777 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@H](CN2CCOCC2)C1)C1CC1 ZINC000336850160 355216800 /nfs/dbraw/zinc/21/68/00/355216800.db2.gz VUGLNRLHJHQMRS-GOEBONIOSA-N 2 2 297.443 0.096 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@H](CN2CCOCC2)C1)C1CC1 ZINC000336850160 355216802 /nfs/dbraw/zinc/21/68/02/355216802.db2.gz VUGLNRLHJHQMRS-GOEBONIOSA-N 2 2 297.443 0.096 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@H](CN2CCOCC2)C1)C1CC1 ZINC000336850160 355216804 /nfs/dbraw/zinc/21/68/04/355216804.db2.gz VUGLNRLHJHQMRS-GOEBONIOSA-N 2 2 297.443 0.096 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@H](CN2CCOCC2)C1)C1CC1 ZINC000336850160 355216806 /nfs/dbraw/zinc/21/68/06/355216806.db2.gz VUGLNRLHJHQMRS-GOEBONIOSA-N 2 2 297.443 0.096 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@](C)(O)C(F)(F)F)CC1 ZINC000337128656 355270841 /nfs/dbraw/zinc/27/08/41/355270841.db2.gz IIXNLJDSKURDRQ-NSHDSACASA-N 2 2 297.321 0.006 20 0 CCADLP CC[N@H+](CCNC(=O)C[NH+](C)CC(=O)NC(C)C)C1CC1 ZINC000338435065 355347715 /nfs/dbraw/zinc/34/77/15/355347715.db2.gz GAPUSFROLGZVFB-UHFFFAOYSA-N 2 2 298.431 0.043 20 0 CCADLP CC[N@@H+](CCNC(=O)C[NH+](C)CC(=O)NC(C)C)C1CC1 ZINC000338435065 355347716 /nfs/dbraw/zinc/34/77/16/355347716.db2.gz GAPUSFROLGZVFB-UHFFFAOYSA-N 2 2 298.431 0.043 20 0 CCADLP CC[NH+](CCNC(=O)C[N@H+](C)CC(=O)NC(C)C)C1CC1 ZINC000338435065 355347718 /nfs/dbraw/zinc/34/77/18/355347718.db2.gz GAPUSFROLGZVFB-UHFFFAOYSA-N 2 2 298.431 0.043 20 0 CCADLP CC[NH+](CCNC(=O)C[N@@H+](C)CC(=O)NC(C)C)C1CC1 ZINC000338435065 355347720 /nfs/dbraw/zinc/34/77/20/355347720.db2.gz GAPUSFROLGZVFB-UHFFFAOYSA-N 2 2 298.431 0.043 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@]2(C)C[C@@H]2F)CC1 ZINC000424715436 235228683 /nfs/dbraw/zinc/22/86/83/235228683.db2.gz ZXBYMAKDBANKSE-JSGCOSHPSA-N 2 2 271.380 0.877 20 0 CCADLP C[C@H](CO[C@@H]1CCOC1)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425339596 235286768 /nfs/dbraw/zinc/28/67/68/235286768.db2.gz CSJNYBGIYFUCHS-DGCLKSJQSA-N 2 2 282.388 0.770 20 0 CCADLP Cc1c[nH+]c(CNCCC[N@@H+]2CCC[C@@H]2C(N)=O)n1C ZINC000341037151 355591906 /nfs/dbraw/zinc/59/19/06/355591906.db2.gz ZUKJAWXFSYVFDV-GFCCVEGCSA-N 2 2 279.388 0.158 20 0 CCADLP Cc1c[nH+]c(CNCCC[N@H+]2CCC[C@@H]2C(N)=O)n1C ZINC000341037151 355591908 /nfs/dbraw/zinc/59/19/08/355591908.db2.gz ZUKJAWXFSYVFDV-GFCCVEGCSA-N 2 2 279.388 0.158 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)NCc2[nH+]ccn2C)CC[N@@H+]1C ZINC000341157561 355618577 /nfs/dbraw/zinc/61/85/77/355618577.db2.gz HLSINSDPZIMSLA-QWRGUYRKSA-N 2 2 265.361 0.702 20 0 CCADLP C[C@H]1C[C@@H](NC(=O)NCc2[nH+]ccn2C)CC[N@H+]1C ZINC000341157561 355618583 /nfs/dbraw/zinc/61/85/83/355618583.db2.gz HLSINSDPZIMSLA-QWRGUYRKSA-N 2 2 265.361 0.702 20 0 CCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1CN(C)CC[NH+]1C ZINC000348377380 355922424 /nfs/dbraw/zinc/92/24/24/355922424.db2.gz MPGGGAOTAACFCI-ZIAGYGMSSA-N 2 2 299.463 0.262 20 0 CCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H]1CN(C)CC[NH+]1C ZINC000348377380 355922427 /nfs/dbraw/zinc/92/24/27/355922427.db2.gz MPGGGAOTAACFCI-ZIAGYGMSSA-N 2 2 299.463 0.262 20 0 CCADLP CC[C@@H](C)[NH+](C)CCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000348377380 355922430 /nfs/dbraw/zinc/92/24/30/355922430.db2.gz MPGGGAOTAACFCI-ZIAGYGMSSA-N 2 2 299.463 0.262 20 0 CCADLP CC[C@@H](C)[NH+](C)CCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000348377380 355922434 /nfs/dbraw/zinc/92/24/34/355922434.db2.gz MPGGGAOTAACFCI-ZIAGYGMSSA-N 2 2 299.463 0.262 20 0 CCADLP C[NH+](C)Cc1cnc(C[NH2+][C@@]2(CCO)CCOC2)s1 ZINC000352706655 356059396 /nfs/dbraw/zinc/05/93/96/356059396.db2.gz PFYZMGLJZZCFMJ-ZDUSSCGKSA-N 2 2 285.413 0.836 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H](C)[NH+](C)C[C@@H]2C)C1 ZINC000352813046 356087669 /nfs/dbraw/zinc/08/76/69/356087669.db2.gz ITGOGCHBYCRKIE-AVGNSLFASA-N 2 2 269.389 0.258 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H](C)[NH+](C)C[C@@H]2C)C1 ZINC000352813046 356087670 /nfs/dbraw/zinc/08/76/70/356087670.db2.gz ITGOGCHBYCRKIE-AVGNSLFASA-N 2 2 269.389 0.258 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000352813046 356087671 /nfs/dbraw/zinc/08/76/71/356087671.db2.gz ITGOGCHBYCRKIE-AVGNSLFASA-N 2 2 269.389 0.258 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000352813046 356087672 /nfs/dbraw/zinc/08/76/72/356087672.db2.gz ITGOGCHBYCRKIE-AVGNSLFASA-N 2 2 269.389 0.258 20 0 CCADLP C[C@@H]1OCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353094248 356156965 /nfs/dbraw/zinc/15/69/65/356156965.db2.gz VHBLSYXCMAQGJW-MNFFZHCASA-N 2 2 295.427 0.837 20 0 CCADLP C[C@@H]1OCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353094248 356156966 /nfs/dbraw/zinc/15/69/66/356156966.db2.gz VHBLSYXCMAQGJW-MNFFZHCASA-N 2 2 295.427 0.837 20 0 CCADLP CO[C@@H](C[NH3+])C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000353467628 356230684 /nfs/dbraw/zinc/23/06/84/356230684.db2.gz MJPQRDWMTGWSFA-JTQLQIEISA-N 2 2 282.731 0.578 20 0 CCADLP CC[C@H](Cn1cncn1)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000353265588 356190359 /nfs/dbraw/zinc/19/03/59/356190359.db2.gz YWVCPNUGOVRIDC-UONOGXRCSA-N 2 2 281.404 0.615 20 0 CCADLP O=c1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)nc2cc[nH]n21 ZINC000360554755 138000259 /nfs/dbraw/zinc/00/02/59/138000259.db2.gz YMTDGFACPZRIAH-AWEZNQCLSA-N 2 2 273.340 0.208 20 0 CCADLP O=c1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)nc2cc[nH]n21 ZINC000360554755 138000260 /nfs/dbraw/zinc/00/02/60/138000260.db2.gz YMTDGFACPZRIAH-AWEZNQCLSA-N 2 2 273.340 0.208 20 0 CCADLP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000360815420 138011926 /nfs/dbraw/zinc/01/19/26/138011926.db2.gz FUWQCRGUJOGAQS-GHMZBOCLSA-N 2 2 293.358 0.457 20 0 CCADLP C[C@@]1(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)CCC[NH2+]C1 ZINC000353681378 356272455 /nfs/dbraw/zinc/27/24/55/356272455.db2.gz QIMTZCDTNABWEV-DZGCQCFKSA-N 2 2 281.400 0.356 20 0 CCADLP C[C@@]1(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)CCC[NH2+]C1 ZINC000353681378 356272457 /nfs/dbraw/zinc/27/24/57/356272457.db2.gz QIMTZCDTNABWEV-DZGCQCFKSA-N 2 2 281.400 0.356 20 0 CCADLP C[C@]1(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CCC[NH2+]C1 ZINC000353681379 356272502 /nfs/dbraw/zinc/27/25/02/356272502.db2.gz QIMTZCDTNABWEV-HIFRSBDPSA-N 2 2 281.400 0.356 20 0 CCADLP C[C@]1(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CCC[NH2+]C1 ZINC000353681379 356272504 /nfs/dbraw/zinc/27/25/04/356272504.db2.gz QIMTZCDTNABWEV-HIFRSBDPSA-N 2 2 281.400 0.356 20 0 CCADLP COCC[C@H](C)[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000360892749 138014997 /nfs/dbraw/zinc/01/49/97/138014997.db2.gz XJOSNZPDBQIYCK-QWHCGFSZSA-N 2 2 294.399 0.926 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CC2CC2)CC1 ZINC000360886685 138015136 /nfs/dbraw/zinc/01/51/36/138015136.db2.gz ZMCMDEVQBQBLPI-UHFFFAOYSA-N 2 2 253.390 0.929 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2ccon2)CC1 ZINC000360898516 138015608 /nfs/dbraw/zinc/01/56/08/138015608.db2.gz VTNXWDDTMDWXOG-UHFFFAOYSA-N 2 2 280.372 0.359 20 0 CCADLP CC[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cnn(C)c1 ZINC000361353398 138031623 /nfs/dbraw/zinc/03/16/23/138031623.db2.gz SYNIBMCTSKVOSS-UONOGXRCSA-N 2 2 265.405 0.707 20 0 CCADLP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cnn(C)c1 ZINC000361353398 138031624 /nfs/dbraw/zinc/03/16/24/138031624.db2.gz SYNIBMCTSKVOSS-UONOGXRCSA-N 2 2 265.405 0.707 20 0 CCADLP CNC(=O)C[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000361887776 138036952 /nfs/dbraw/zinc/03/69/52/138036952.db2.gz FUOFABQWBCEFFF-NEPJUHHUSA-N 2 2 257.378 0.069 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(N)=O)nc2)CC[N@@H+]1C ZINC000361925158 138038440 /nfs/dbraw/zinc/03/84/40/138038440.db2.gz HSMULCRBZMQIHW-JQWIXIFHSA-N 2 2 262.357 0.753 20 0 CCADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(N)=O)nc2)CC[N@H+]1C ZINC000361925158 138038441 /nfs/dbraw/zinc/03/84/41/138038441.db2.gz HSMULCRBZMQIHW-JQWIXIFHSA-N 2 2 262.357 0.753 20 0 CCADLP C[C@H]1CC[N@H+](CCNC(=O)[C@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000560177742 291092762 /nfs/dbraw/zinc/09/27/62/291092762.db2.gz VFPLPJIIIQNDHP-JSGCOSHPSA-N 2 2 293.415 0.481 20 0 CCADLP C[C@H]1CC[N@@H+](CCNC(=O)[C@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000560177742 291092765 /nfs/dbraw/zinc/09/27/65/291092765.db2.gz VFPLPJIIIQNDHP-JSGCOSHPSA-N 2 2 293.415 0.481 20 0 CCADLP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000560177745 291092908 /nfs/dbraw/zinc/09/29/08/291092908.db2.gz VFPLPJIIIQNDHP-TZMCWYRMSA-N 2 2 293.415 0.481 20 0 CCADLP C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000560177745 291092909 /nfs/dbraw/zinc/09/29/09/291092909.db2.gz VFPLPJIIIQNDHP-TZMCWYRMSA-N 2 2 293.415 0.481 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000362890214 138079006 /nfs/dbraw/zinc/07/90/06/138079006.db2.gz FHHMMMKKNWINST-ZFWWWQNUSA-N 3 2 296.459 0.326 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000362890214 138079007 /nfs/dbraw/zinc/07/90/07/138079007.db2.gz FHHMMMKKNWINST-ZFWWWQNUSA-N 3 2 296.459 0.326 20 0 CCADLP CCn1cc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cn1 ZINC000362682715 138069434 /nfs/dbraw/zinc/06/94/34/138069434.db2.gz FUUPLXLYOWSWAZ-AWEZNQCLSA-N 2 2 291.399 0.299 20 0 CCADLP CCn1cc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cn1 ZINC000362682715 138069435 /nfs/dbraw/zinc/06/94/35/138069435.db2.gz FUUPLXLYOWSWAZ-AWEZNQCLSA-N 2 2 291.399 0.299 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCO3)C2)CC1 ZINC000362710292 138070641 /nfs/dbraw/zinc/07/06/41/138070641.db2.gz JAHRVGXOAALDKR-JSGCOSHPSA-N 2 2 281.400 0.450 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CCCO3)C2)CC1 ZINC000362710292 138070642 /nfs/dbraw/zinc/07/06/42/138070642.db2.gz JAHRVGXOAALDKR-JSGCOSHPSA-N 2 2 281.400 0.450 20 0 CCADLP CC(C)n1nccc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000354653411 356465635 /nfs/dbraw/zinc/46/56/35/356465635.db2.gz RWKOZVWORXQMEY-ZDUSSCGKSA-N 2 2 252.362 0.620 20 0 CCADLP CC(C)n1nccc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000354653411 356465639 /nfs/dbraw/zinc/46/56/39/356465639.db2.gz RWKOZVWORXQMEY-ZDUSSCGKSA-N 2 2 252.362 0.620 20 0 CCADLP COC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609257761 363481391 /nfs/dbraw/zinc/48/13/91/363481391.db2.gz DJEWMQWHPHFTBK-VXGBXAGGSA-N 2 2 294.355 0.198 20 0 CCADLP COC(=O)CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609257761 363481394 /nfs/dbraw/zinc/48/13/94/363481394.db2.gz DJEWMQWHPHFTBK-VXGBXAGGSA-N 2 2 294.355 0.198 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)CCCC[NH+](C)C ZINC000560600191 291109176 /nfs/dbraw/zinc/10/91/76/291109176.db2.gz WHPVJFIGTWSQBL-ZDUSSCGKSA-N 2 2 271.405 0.555 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000355483796 356626071 /nfs/dbraw/zinc/62/60/71/356626071.db2.gz TZYLNSSSBXXQFI-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000355483796 356626075 /nfs/dbraw/zinc/62/60/75/356626075.db2.gz TZYLNSSSBXXQFI-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP Cc1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])nc1 ZINC000561017777 291115505 /nfs/dbraw/zinc/11/55/05/291115505.db2.gz GAVULKVAJSAKNM-NSHDSACASA-N 2 2 263.345 0.497 20 0 CCADLP Cc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])nc1 ZINC000561017777 291115506 /nfs/dbraw/zinc/11/55/06/291115506.db2.gz GAVULKVAJSAKNM-NSHDSACASA-N 2 2 263.345 0.497 20 0 CCADLP CC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCOC[C@H]2C)CC1 ZINC000356115258 356705554 /nfs/dbraw/zinc/70/55/54/356705554.db2.gz IXDARVSHLBLLIH-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH+]1CCC(NC(=O)NCC[N@H+]2CCOC[C@H]2C)CC1 ZINC000356115258 356705557 /nfs/dbraw/zinc/70/55/57/356705557.db2.gz IXDARVSHLBLLIH-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCCNc1cc[nH+]cc1 ZINC000356229667 356728172 /nfs/dbraw/zinc/72/81/72/356728172.db2.gz ORPVUJWGYMMAHO-LBPRGKRZSA-N 2 2 288.355 0.500 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000359277161 356791912 /nfs/dbraw/zinc/79/19/12/356791912.db2.gz NHXCENNFUXTASK-OKILXGFUSA-N 3 2 294.443 0.127 20 0 CCADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000359277161 356791916 /nfs/dbraw/zinc/79/19/16/356791916.db2.gz NHXCENNFUXTASK-OKILXGFUSA-N 3 2 294.443 0.127 20 0 CCADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)NC(C1CC1)C1CC1 ZINC000359289093 356795491 /nfs/dbraw/zinc/79/54/91/356795491.db2.gz QASXZRDGHUMUAF-STQMWFEESA-N 2 2 263.385 0.442 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000359396767 356814415 /nfs/dbraw/zinc/81/44/15/356814415.db2.gz ZXAWVDLDGCGVDY-ZDUSSCGKSA-N 2 2 296.415 0.197 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000359396767 356814423 /nfs/dbraw/zinc/81/44/23/356814423.db2.gz ZXAWVDLDGCGVDY-ZDUSSCGKSA-N 2 2 296.415 0.197 20 0 CCADLP COC(=O)c1coc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000359461308 356825904 /nfs/dbraw/zinc/82/59/04/356825904.db2.gz UNWKFIBEZAOGAE-PHIMTYICSA-N 2 2 250.298 0.717 20 0 CCADLP COC(=O)c1coc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000359461308 356825907 /nfs/dbraw/zinc/82/59/07/356825907.db2.gz UNWKFIBEZAOGAE-PHIMTYICSA-N 2 2 250.298 0.717 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](CO)c2cccc(F)c2)CC1 ZINC000359545481 356842063 /nfs/dbraw/zinc/84/20/63/356842063.db2.gz YJFAZGWMDFEYJO-CQSZACIVSA-N 2 2 295.358 0.223 20 0 CCADLP CCCNC(=O)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655682761 412646213 /nfs/dbraw/zinc/64/62/13/412646213.db2.gz JJIGEWNZZDYWRD-ZDUSSCGKSA-N 2 2 269.389 0.356 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000360162638 356961708 /nfs/dbraw/zinc/96/17/08/356961708.db2.gz NWOGZAXPWJEHMD-ZDUSSCGKSA-N 2 2 292.383 0.485 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NCc2ccc(N(C)C)[nH+]c2)C1 ZINC000360162638 356961709 /nfs/dbraw/zinc/96/17/09/356961709.db2.gz NWOGZAXPWJEHMD-ZDUSSCGKSA-N 2 2 292.383 0.485 20 0 CCADLP C[C@H](C(=O)N1CC(n2cc[nH+]c2)C1)[NH+]1CCSCC1 ZINC000532763759 358513374 /nfs/dbraw/zinc/51/33/74/358513374.db2.gz FGLBDRMWMXNLER-LLVKDONJSA-N 2 2 280.397 0.704 20 0 CCADLP COC[C@H](C)NC(=[NH2+])NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000360488014 357024588 /nfs/dbraw/zinc/02/45/88/357024588.db2.gz HGDNPEYWATYHEW-NSHDSACASA-N 2 2 288.355 0.916 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000360545720 357037202 /nfs/dbraw/zinc/03/72/02/357037202.db2.gz HVKSOIXZUSAPIQ-ZIAGYGMSSA-N 2 2 295.427 0.792 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)C1([NH+]2CCOCC2)CCC1 ZINC000360545720 357037205 /nfs/dbraw/zinc/03/72/05/357037205.db2.gz HVKSOIXZUSAPIQ-ZIAGYGMSSA-N 2 2 295.427 0.792 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000364203300 357095600 /nfs/dbraw/zinc/09/56/00/357095600.db2.gz WHKYZWCQTVIXQQ-SWLSCSKDSA-N 2 2 281.400 0.213 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000364203300 357095604 /nfs/dbraw/zinc/09/56/04/357095604.db2.gz WHKYZWCQTVIXQQ-SWLSCSKDSA-N 2 2 281.400 0.213 20 0 CCADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N(C)C ZINC000655729696 412651588 /nfs/dbraw/zinc/65/15/88/412651588.db2.gz CNALZECRIRUOEJ-DGCLKSJQSA-N 2 2 269.389 0.306 20 0 CCADLP CCCCNC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366497790 357219108 /nfs/dbraw/zinc/21/91/08/357219108.db2.gz OJOUUTYIVQTODD-CQSZACIVSA-N 2 2 253.390 0.930 20 0 CCADLP CCCCNC(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366497790 357219109 /nfs/dbraw/zinc/21/91/09/357219109.db2.gz OJOUUTYIVQTODD-CQSZACIVSA-N 2 2 253.390 0.930 20 0 CCADLP CCCCNC(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366497790 357219111 /nfs/dbraw/zinc/21/91/11/357219111.db2.gz OJOUUTYIVQTODD-CQSZACIVSA-N 2 2 253.390 0.930 20 0 CCADLP CCCCNC(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366497790 357219114 /nfs/dbraw/zinc/21/91/14/357219114.db2.gz OJOUUTYIVQTODD-CQSZACIVSA-N 2 2 253.390 0.930 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN2C(=O)OC[C@@H]2C1 ZINC000370547799 357355262 /nfs/dbraw/zinc/35/52/62/357355262.db2.gz HZGZOLNRGOPVBW-STQMWFEESA-N 2 2 267.373 0.997 20 0 CCADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN2C(=O)OC[C@@H]2C1 ZINC000370547799 357355267 /nfs/dbraw/zinc/35/52/67/357355267.db2.gz HZGZOLNRGOPVBW-STQMWFEESA-N 2 2 267.373 0.997 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000370547799 357355271 /nfs/dbraw/zinc/35/52/71/357355271.db2.gz HZGZOLNRGOPVBW-STQMWFEESA-N 2 2 267.373 0.997 20 0 CCADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000370547799 357355274 /nfs/dbraw/zinc/35/52/74/357355274.db2.gz HZGZOLNRGOPVBW-STQMWFEESA-N 2 2 267.373 0.997 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000375817807 357413128 /nfs/dbraw/zinc/41/31/28/357413128.db2.gz VAIBJDMXGBIAMR-LBPRGKRZSA-N 2 2 296.415 0.781 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000375817807 357413136 /nfs/dbraw/zinc/41/31/36/357413136.db2.gz VAIBJDMXGBIAMR-LBPRGKRZSA-N 2 2 296.415 0.781 20 0 CCADLP [NH3+]Cc1cc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)co1 ZINC000375978139 357421475 /nfs/dbraw/zinc/42/14/75/357421475.db2.gz WUWKQUCLVKSABG-ZIAGYGMSSA-N 2 2 293.367 0.410 20 0 CCADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1)N1CCCCC1 ZINC000377849986 357623555 /nfs/dbraw/zinc/62/35/55/357623555.db2.gz LKQGQACTBBCOFK-OAHLLOKOSA-N 2 2 295.427 0.653 20 0 CCADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1)N1CCCCC1 ZINC000377849986 357623561 /nfs/dbraw/zinc/62/35/61/357623561.db2.gz LKQGQACTBBCOFK-OAHLLOKOSA-N 2 2 295.427 0.653 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+]2CCCO)[C@@H](C)O1 ZINC000449384535 236031262 /nfs/dbraw/zinc/03/12/62/236031262.db2.gz BPUWSTMVRIQHPI-SYQHCUMBSA-N 2 2 256.390 0.989 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+]2CCCO)[C@@H](C)O1 ZINC000449384535 236031265 /nfs/dbraw/zinc/03/12/65/236031265.db2.gz BPUWSTMVRIQHPI-SYQHCUMBSA-N 2 2 256.390 0.989 20 0 CCADLP CC(C)NC(=O)[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655777351 412658135 /nfs/dbraw/zinc/65/81/35/412658135.db2.gz UEOODIZOAAJOPN-TZMCWYRMSA-N 2 2 283.416 0.742 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC(F)C3)CC2)CC1 ZINC000336264880 213103308 /nfs/dbraw/zinc/10/33/08/213103308.db2.gz CDIALSHAKZYITN-UHFFFAOYSA-N 2 2 298.406 0.908 20 0 CCADLP CC[N@H+](CC[NH3+])Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000381828025 357711114 /nfs/dbraw/zinc/71/11/14/357711114.db2.gz PDGSBYRHWCTPNV-UHFFFAOYSA-N 2 2 285.413 0.718 20 0 CCADLP CC[N@@H+](CC[NH3+])Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000381828025 357711119 /nfs/dbraw/zinc/71/11/19/357711119.db2.gz PDGSBYRHWCTPNV-UHFFFAOYSA-N 2 2 285.413 0.718 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449648780 236043163 /nfs/dbraw/zinc/04/31/63/236043163.db2.gz UOERHHHCKMMBHY-STQMWFEESA-N 2 2 297.349 0.917 20 0 CCADLP CN(C)c1cc[nH+]cc1C[NH2+]CCCN1CCNC(=O)C1 ZINC000655793024 412660204 /nfs/dbraw/zinc/66/02/04/412660204.db2.gz JGOUGAQUWSMTIR-UHFFFAOYSA-N 2 2 291.399 0.059 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCNC(=O)CC2)C[N@@H+]1C1CC1 ZINC000396689865 357764365 /nfs/dbraw/zinc/76/43/65/357764365.db2.gz SPLSJQHNVFOLPK-UTUOFQBUSA-N 2 2 251.374 0.870 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCNC(=O)CC2)C[N@H+]1C1CC1 ZINC000396689865 357764370 /nfs/dbraw/zinc/76/43/70/357764370.db2.gz SPLSJQHNVFOLPK-UTUOFQBUSA-N 2 2 251.374 0.870 20 0 CCADLP C[C@H]1C[N@H+](CCO)CCN1c1cc(N2CCCC2)[nH+]cn1 ZINC000450951549 236123655 /nfs/dbraw/zinc/12/36/55/236123655.db2.gz GCQZEQYHNWPZNQ-ZDUSSCGKSA-N 2 2 291.399 0.580 20 0 CCADLP C[C@H]1C[N@@H+](CCO)CCN1c1cc(N2CCCC2)[nH+]cn1 ZINC000450951549 236123658 /nfs/dbraw/zinc/12/36/58/236123658.db2.gz GCQZEQYHNWPZNQ-ZDUSSCGKSA-N 2 2 291.399 0.580 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CC(C)C2)CC1 ZINC000561112314 291117363 /nfs/dbraw/zinc/11/73/63/291117363.db2.gz CMHDOEJBNOLGJO-CYBMUJFWSA-N 2 2 253.390 0.879 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)[C@@H](C)[NH+]2CC(C)C2)C[C@H]1C ZINC000561247351 291123388 /nfs/dbraw/zinc/12/33/88/291123388.db2.gz WFCUFKASIPCQRD-ZIAGYGMSSA-N 2 2 283.416 0.506 20 0 CCADLP COCC[N@H+]1CCN(C(=O)[C@@H](C)[NH+]2CC(C)C2)C[C@H]1C ZINC000561247351 291123391 /nfs/dbraw/zinc/12/33/91/291123391.db2.gz WFCUFKASIPCQRD-ZIAGYGMSSA-N 2 2 283.416 0.506 20 0 CCADLP CNC(=O)C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000153967170 283320377 /nfs/dbraw/zinc/32/03/77/283320377.db2.gz SSAYBIKDGLREPM-KBPBESRZSA-N 2 2 282.432 0.223 20 0 CCADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)[C@@H]1CCCO1 ZINC000453299259 236275158 /nfs/dbraw/zinc/27/51/58/236275158.db2.gz XADNEGKRIWOZMR-MJBXVCDLSA-N 2 2 256.390 0.990 20 0 CCADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)[C@@H]1CCCO1 ZINC000453299259 236275160 /nfs/dbraw/zinc/27/51/60/236275160.db2.gz XADNEGKRIWOZMR-MJBXVCDLSA-N 2 2 256.390 0.990 20 0 CCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC[NH+]1CCOCC1)CC2 ZINC000561333636 291127595 /nfs/dbraw/zinc/12/75/95/291127595.db2.gz XTBGKBWLYMCRRQ-ZDUSSCGKSA-N 2 2 292.383 0.202 20 0 CCADLP C[C@@H](C(=O)N1CCc2ccccc21)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420350463 358180381 /nfs/dbraw/zinc/18/03/81/358180381.db2.gz GYUZDLIZIRRKKM-AAEUAGOBSA-N 2 2 277.368 0.216 20 0 CCADLP C[C@@H](C(=O)N1CCc2ccccc21)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420350463 358180385 /nfs/dbraw/zinc/18/03/85/358180385.db2.gz GYUZDLIZIRRKKM-AAEUAGOBSA-N 2 2 277.368 0.216 20 0 CCADLP C[C@H](C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C)CS(C)(=O)=O ZINC000422636908 358191805 /nfs/dbraw/zinc/19/18/05/358191805.db2.gz NUDRZCPTBLDVBC-XQHKEYJVSA-N 2 2 276.446 0.972 20 0 CCADLP C[C@H](C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C)CS(C)(=O)=O ZINC000422636908 358191807 /nfs/dbraw/zinc/19/18/07/358191807.db2.gz NUDRZCPTBLDVBC-XQHKEYJVSA-N 2 2 276.446 0.972 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000422880499 358193866 /nfs/dbraw/zinc/19/38/66/358193866.db2.gz OBMYKPIRJSBLSF-RBSFLKMASA-N 3 2 296.459 0.517 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000422880499 358193872 /nfs/dbraw/zinc/19/38/72/358193872.db2.gz OBMYKPIRJSBLSF-RBSFLKMASA-N 3 2 296.459 0.517 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000422921987 358194760 /nfs/dbraw/zinc/19/47/60/358194760.db2.gz ROHRKZCVESFWER-IJLUTSLNSA-N 2 2 253.390 0.973 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000422986568 358196321 /nfs/dbraw/zinc/19/63/21/358196321.db2.gz CTJUTIYJXQMQEW-OEAJRASXSA-N 3 2 281.444 0.952 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000423172132 358196935 /nfs/dbraw/zinc/19/69/35/358196935.db2.gz RLWDPKZZYHTQRG-GJZGRUSLSA-N 2 2 297.443 0.455 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1NCC1([NH+]2CCOCC2)CCOCC1 ZINC000423172132 358196941 /nfs/dbraw/zinc/19/69/41/358196941.db2.gz RLWDPKZZYHTQRG-GJZGRUSLSA-N 2 2 297.443 0.455 20 0 CCADLP CO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000429528113 358224897 /nfs/dbraw/zinc/22/48/97/358224897.db2.gz OEECKGYQNFGWAJ-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP COCC[NH+]1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC000562273647 291141417 /nfs/dbraw/zinc/14/14/17/291141417.db2.gz USXCZQAAGFRJEV-UHFFFAOYSA-N 2 2 266.345 0.110 20 0 CCADLP O=C(C[C@H]1C[NH2+]CCO1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000430686882 358228555 /nfs/dbraw/zinc/22/85/55/358228555.db2.gz ODEOQXKJWQPUKB-NEPJUHHUSA-N 2 2 278.356 0.494 20 0 CCADLP Cn1[nH]c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)nc1=O ZINC000329267743 202259481 /nfs/dbraw/zinc/25/94/81/202259481.db2.gz GHFRCMXBZLOXRS-UHFFFAOYSA-N 2 2 279.388 0.416 20 0 CCADLP C[N@H+](CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)[C@H]1CCOC1 ZINC000496812271 358327921 /nfs/dbraw/zinc/32/79/21/358327921.db2.gz WSVRYXYNASJVHN-DZGCQCFKSA-N 2 2 295.383 0.581 20 0 CCADLP C[N@@H+](CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)[C@H]1CCOC1 ZINC000496812271 358327923 /nfs/dbraw/zinc/32/79/23/358327923.db2.gz WSVRYXYNASJVHN-DZGCQCFKSA-N 2 2 295.383 0.581 20 0 CCADLP CSC[C@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000518498046 358344213 /nfs/dbraw/zinc/34/42/13/358344213.db2.gz GODZXQMTTSRSFS-VHSXEESVSA-N 2 2 260.407 0.022 20 0 CCADLP CSC[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000518498046 358344216 /nfs/dbraw/zinc/34/42/16/358344216.db2.gz GODZXQMTTSRSFS-VHSXEESVSA-N 2 2 260.407 0.022 20 0 CCADLP O=S1(=O)CCC[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000530225009 358381847 /nfs/dbraw/zinc/38/18/47/358381847.db2.gz WIIDOMSDRIVVOO-MNOVXSKESA-N 2 2 258.387 0.438 20 0 CCADLP c1ccc(N2CCC([NH2+]C[C@H]3COCCN3)CC2)[nH+]c1 ZINC000530180527 358372774 /nfs/dbraw/zinc/37/27/74/358372774.db2.gz BWDAPCQNAQSJBY-AWEZNQCLSA-N 2 2 276.384 0.628 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+]([C@H]2CCN(C3CCCCC3)C2=O)CCCO1 ZINC000530226837 358382621 /nfs/dbraw/zinc/38/26/21/358382621.db2.gz UAVSREBNQKNASP-GJZGRUSLSA-N 2 2 295.427 0.970 20 0 CCADLP [NH3+]C[C@H]1C[N@H+]([C@H]2CCN(C3CCCCC3)C2=O)CCCO1 ZINC000530226837 358382626 /nfs/dbraw/zinc/38/26/26/358382626.db2.gz UAVSREBNQKNASP-GJZGRUSLSA-N 2 2 295.427 0.970 20 0 CCADLP C[C@H](C(=O)NCC[NH+]1CCSCC1)[NH+]1CC(C)C1 ZINC000565433462 358561542 /nfs/dbraw/zinc/56/15/42/358561542.db2.gz PHLJNHIOGNOXRL-GFCCVEGCSA-N 2 2 271.430 0.492 20 0 CCADLP COCCOC[C@@H](O)C[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000567678414 358570335 /nfs/dbraw/zinc/57/03/35/358570335.db2.gz SJKHRHIHFMRGBJ-AWEZNQCLSA-N 2 2 297.399 0.375 20 0 CCADLP C[C@H](C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)[NH+]1CCN(C)CC1 ZINC000567902322 358609939 /nfs/dbraw/zinc/60/99/39/358609939.db2.gz RSZGSBOPSXERMD-BFHYXJOUSA-N 2 2 282.432 0.208 20 0 CCADLP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000567802381 358588841 /nfs/dbraw/zinc/58/88/41/358588841.db2.gz VMMRLLHJPQWWCQ-UKRRQHHQSA-N 2 2 290.411 0.357 20 0 CCADLP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000567802381 358588842 /nfs/dbraw/zinc/58/88/42/358588842.db2.gz VMMRLLHJPQWWCQ-UKRRQHHQSA-N 2 2 290.411 0.357 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCCC2CC2)[C@H](C[NH3+])C1 ZINC000568231720 358653680 /nfs/dbraw/zinc/65/36/80/358653680.db2.gz DQDZWTCCLLSWED-GFCCVEGCSA-N 2 2 254.378 0.461 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCCC2CC2)[C@H](C[NH3+])C1 ZINC000568231720 358653684 /nfs/dbraw/zinc/65/36/84/358653684.db2.gz DQDZWTCCLLSWED-GFCCVEGCSA-N 2 2 254.378 0.461 20 0 CCADLP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]([NH3+])c3cscn3)[C@H]2C1 ZINC000568500535 358678274 /nfs/dbraw/zinc/67/82/74/358678274.db2.gz MGLSJZQPSPWWMK-SRVKXCTJSA-N 2 2 296.396 0.074 20 0 CCADLP C[N@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]([NH3+])c3cscn3)[C@H]2C1 ZINC000568500535 358678278 /nfs/dbraw/zinc/67/82/78/358678278.db2.gz MGLSJZQPSPWWMK-SRVKXCTJSA-N 2 2 296.396 0.074 20 0 CCADLP [NH3+]CC(F)(F)CC(=O)NCCCNc1cccc[nH+]1 ZINC000568645543 358693377 /nfs/dbraw/zinc/69/33/77/358693377.db2.gz QLQGWLVBVWMFNC-UHFFFAOYSA-N 2 2 272.299 0.984 20 0 CCADLP O=C(N[C@H]1CC[NH2+]C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000569260084 358749633 /nfs/dbraw/zinc/74/96/33/358749633.db2.gz MSBZGPBPYIWMTN-NSHDSACASA-N 2 2 263.345 0.592 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)no1 ZINC000568857364 358710171 /nfs/dbraw/zinc/71/01/71/358710171.db2.gz AZNQXCULKYITKN-ZWNOBZJWSA-N 2 2 292.383 0.806 20 0 CCADLP Cc1cc(NC(=O)CC[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)no1 ZINC000568857364 358710174 /nfs/dbraw/zinc/71/01/74/358710174.db2.gz AZNQXCULKYITKN-ZWNOBZJWSA-N 2 2 292.383 0.806 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@H]2CCC[NH2+]C2)CCO1 ZINC000569086843 358731347 /nfs/dbraw/zinc/73/13/47/358731347.db2.gz OHYJITYEYSVYMQ-QWHCGFSZSA-N 2 2 284.404 0.148 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@H]2CCC[NH2+]C2)CCO1 ZINC000569086843 358731352 /nfs/dbraw/zinc/73/13/52/358731352.db2.gz OHYJITYEYSVYMQ-QWHCGFSZSA-N 2 2 284.404 0.148 20 0 CCADLP COC(=O)CC1([NH2+]Cc2c[nH+]c(C)n2C)CCOCC1 ZINC000570108373 358824359 /nfs/dbraw/zinc/82/43/59/358824359.db2.gz VCMWBZRTOQEVHG-UHFFFAOYSA-N 2 2 281.356 0.930 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000569939075 358808364 /nfs/dbraw/zinc/80/83/64/358808364.db2.gz HYUSMTSNBYOTCI-OCCSQVGLSA-N 2 2 294.399 0.503 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000569939075 358808367 /nfs/dbraw/zinc/80/83/67/358808367.db2.gz HYUSMTSNBYOTCI-OCCSQVGLSA-N 2 2 294.399 0.503 20 0 CCADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NC1C[NH2+]C1 ZINC000570693821 358884940 /nfs/dbraw/zinc/88/49/40/358884940.db2.gz VRRYVKUJMWJKHJ-UHFFFAOYSA-N 2 2 285.351 0.702 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2ccc3c(c2)CCC3)[C@H](C[NH3+])C1 ZINC000570716759 358888552 /nfs/dbraw/zinc/88/85/52/358888552.db2.gz URXWTQBGJIWYJD-MRXNPFEDSA-N 2 2 287.407 0.819 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CC2(C(N)=O)CCCC2)n1C ZINC000570739480 358890413 /nfs/dbraw/zinc/89/04/13/358890413.db2.gz BJDHDICLUUAZJJ-UHFFFAOYSA-N 2 2 250.346 0.864 20 0 CCADLP Cn1cc[nH+]c1[C@H](NC[C@@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000571040922 358906261 /nfs/dbraw/zinc/90/62/61/358906261.db2.gz UMXHQBSXAAJNCS-ZIAGYGMSSA-N 2 2 278.400 0.916 20 0 CCADLP Cn1cc[nH+]c1[C@H](NC[C@@H](O)C[N@@H+](C)C1CC1)C1CC1 ZINC000571040922 358906265 /nfs/dbraw/zinc/90/62/65/358906265.db2.gz UMXHQBSXAAJNCS-ZIAGYGMSSA-N 2 2 278.400 0.916 20 0 CCADLP CO[C@H]1CC[N@H+](CCCc2nc(C)no2)[C@H](C[NH3+])C1 ZINC000573370823 358961134 /nfs/dbraw/zinc/96/11/34/358961134.db2.gz MVEPEWVJYBFVTH-RYUDHWBXSA-N 2 2 268.361 0.749 20 0 CCADLP CO[C@H]1CC[N@@H+](CCCc2nc(C)no2)[C@H](C[NH3+])C1 ZINC000573370823 358961139 /nfs/dbraw/zinc/96/11/39/358961139.db2.gz MVEPEWVJYBFVTH-RYUDHWBXSA-N 2 2 268.361 0.749 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000573493845 358972875 /nfs/dbraw/zinc/97/28/75/358972875.db2.gz LAJQNIUWSAXXQI-JTQLQIEISA-N 2 2 259.313 0.495 20 0 CCADLP O=C(C[NH2+]C1CC1)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000573117015 358939428 /nfs/dbraw/zinc/93/94/28/358939428.db2.gz BKAFKLISLZIWMJ-UONOGXRCSA-N 2 2 281.400 0.498 20 0 CCADLP Cn1nnc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000574159253 359033872 /nfs/dbraw/zinc/03/38/72/359033872.db2.gz FXHRCOJRKVTEIB-WDEREUQCSA-N 2 2 250.350 0.032 20 0 CCADLP Cn1nnc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000574159253 359033875 /nfs/dbraw/zinc/03/38/75/359033875.db2.gz FXHRCOJRKVTEIB-WDEREUQCSA-N 2 2 250.350 0.032 20 0 CCADLP C[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C(C)(C)C[NH+](C)C ZINC000562810362 291168752 /nfs/dbraw/zinc/16/87/52/291168752.db2.gz ODENHVDVWPXLDR-QWHCGFSZSA-N 3 2 299.463 0.247 20 0 CCADLP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C(C)(C)C[NH+](C)C ZINC000562810362 291168754 /nfs/dbraw/zinc/16/87/54/291168754.db2.gz ODENHVDVWPXLDR-QWHCGFSZSA-N 3 2 299.463 0.247 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2CC[C@H](F)C2)C[C@@H](C)O1 ZINC000573678358 358989060 /nfs/dbraw/zinc/98/90/60/358989060.db2.gz WVZHYYRAFGZYHP-RKQHYHRCSA-N 2 2 274.380 0.937 20 0 CCADLP C[C@@H]1C[C@H](CCNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CCO1 ZINC000573905212 359010312 /nfs/dbraw/zinc/01/03/12/359010312.db2.gz DSDOKKXQCGMYOE-MCIONIFRSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H]1C[C@H](CCNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CCO1 ZINC000573905212 359010314 /nfs/dbraw/zinc/01/03/14/359010314.db2.gz DSDOKKXQCGMYOE-MCIONIFRSA-N 2 2 298.431 0.476 20 0 CCADLP CC1(C)NC(=O)CC[C@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000580027444 359076637 /nfs/dbraw/zinc/07/66/37/359076637.db2.gz RIBHHPDDGJCOHH-BXKDBHETSA-N 2 2 262.357 0.914 20 0 CCADLP CC1(C)NC(=O)CC[C@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000580027444 359076642 /nfs/dbraw/zinc/07/66/42/359076642.db2.gz RIBHHPDDGJCOHH-BXKDBHETSA-N 2 2 262.357 0.914 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000580930790 359110834 /nfs/dbraw/zinc/11/08/34/359110834.db2.gz BTXUSLQKIVGVMB-HZPDHXFCSA-N 3 2 298.475 0.011 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000580930790 359110839 /nfs/dbraw/zinc/11/08/39/359110839.db2.gz BTXUSLQKIVGVMB-HZPDHXFCSA-N 3 2 298.475 0.011 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000580930790 359110846 /nfs/dbraw/zinc/11/08/46/359110846.db2.gz BTXUSLQKIVGVMB-HZPDHXFCSA-N 3 2 298.475 0.011 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000580930790 359110852 /nfs/dbraw/zinc/11/08/52/359110852.db2.gz BTXUSLQKIVGVMB-HZPDHXFCSA-N 3 2 298.475 0.011 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)NCC[NH+]1CCOC[C@H]1C ZINC000579923494 359061112 /nfs/dbraw/zinc/06/11/12/359061112.db2.gz DBHGALNPKBKYHW-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCC[NH+]1CCOC[C@H]1C ZINC000579923494 359061116 /nfs/dbraw/zinc/06/11/16/359061116.db2.gz DBHGALNPKBKYHW-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@H]1C[NH+](C)CCN1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000579923494 359061119 /nfs/dbraw/zinc/06/11/19/359061119.db2.gz DBHGALNPKBKYHW-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@H]1C[NH+](C)CCN1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000579923494 359061123 /nfs/dbraw/zinc/06/11/23/359061123.db2.gz DBHGALNPKBKYHW-KGLIPLIRSA-N 2 2 298.431 0.443 20 0 CCADLP O=C(CC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)N1CCCCC1 ZINC000562958928 291175337 /nfs/dbraw/zinc/17/53/37/291175337.db2.gz XQNQJDDNRILSBQ-GOEBONIOSA-N 2 2 295.427 0.746 20 0 CCADLP CN(C)c1nccc(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)n1 ZINC000562990966 291179409 /nfs/dbraw/zinc/17/94/09/291179409.db2.gz JMCPRBQAKPKGLW-ZDUSSCGKSA-N 2 2 279.388 0.087 20 0 CCADLP CN(C)c1nccc(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)n1 ZINC000562990966 291179410 /nfs/dbraw/zinc/17/94/10/291179410.db2.gz JMCPRBQAKPKGLW-ZDUSSCGKSA-N 2 2 279.388 0.087 20 0 CCADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COC(C)C ZINC000562983685 291178101 /nfs/dbraw/zinc/17/81/01/291178101.db2.gz DMGGMLHWVLGOOT-UONOGXRCSA-N 2 2 274.405 0.473 20 0 CCADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COC(C)C ZINC000562983685 291178103 /nfs/dbraw/zinc/17/81/03/291178103.db2.gz DMGGMLHWVLGOOT-UONOGXRCSA-N 2 2 274.405 0.473 20 0 CCADLP CC(C)OCC[C@@H](O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000563001079 291180303 /nfs/dbraw/zinc/18/03/03/291180303.db2.gz ZOAVJIHJZPERNN-CYBMUJFWSA-N 2 2 284.404 0.752 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@](C)(C(=O)OC)C1 ZINC000590603459 359497201 /nfs/dbraw/zinc/49/72/01/359497201.db2.gz NFHKJMHUCCUATR-DGCLKSJQSA-N 2 2 258.362 0.184 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@](C)(C(=O)OC)C1 ZINC000590603459 359497205 /nfs/dbraw/zinc/49/72/05/359497205.db2.gz NFHKJMHUCCUATR-DGCLKSJQSA-N 2 2 258.362 0.184 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@](C)(C(=O)OC)C1 ZINC000590603459 359497209 /nfs/dbraw/zinc/49/72/09/359497209.db2.gz NFHKJMHUCCUATR-DGCLKSJQSA-N 2 2 258.362 0.184 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@](C)(C(=O)OC)C1 ZINC000590603459 359497212 /nfs/dbraw/zinc/49/72/12/359497212.db2.gz NFHKJMHUCCUATR-DGCLKSJQSA-N 2 2 258.362 0.184 20 0 CCADLP CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000591735109 359649808 /nfs/dbraw/zinc/64/98/08/359649808.db2.gz SEMZSSLWGIMZIK-KGLIPLIRSA-N 2 2 284.400 0.765 20 0 CCADLP CCOC(=O)CC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000591735109 359649811 /nfs/dbraw/zinc/64/98/11/359649811.db2.gz SEMZSSLWGIMZIK-KGLIPLIRSA-N 2 2 284.400 0.765 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Nc1ccncc1 ZINC000591868794 359668463 /nfs/dbraw/zinc/66/84/63/359668463.db2.gz FDMRGOSHIXDJFB-CQSZACIVSA-N 2 2 285.351 0.976 20 0 CCADLP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Nc1ccncc1 ZINC000591868794 359668466 /nfs/dbraw/zinc/66/84/66/359668466.db2.gz FDMRGOSHIXDJFB-CQSZACIVSA-N 2 2 285.351 0.976 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C[NH2+]C2CC2)C[C@H](C)O1 ZINC000563097497 291192507 /nfs/dbraw/zinc/19/25/07/291192507.db2.gz UWGHZAXLFOUHTD-TXEJJXNPSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C[NH2+]C2CC2)C[C@H](C)O1 ZINC000563097497 291192509 /nfs/dbraw/zinc/19/25/09/291192509.db2.gz UWGHZAXLFOUHTD-TXEJJXNPSA-N 2 2 269.389 0.306 20 0 CCADLP Cc1nc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)n[nH]1 ZINC000329357597 202297516 /nfs/dbraw/zinc/29/75/16/202297516.db2.gz WQSGRSYTWXNDJS-JBLDHEPKSA-N 2 2 251.378 0.974 20 0 CCADLP Cc1nc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)n[nH]1 ZINC000329357597 202297520 /nfs/dbraw/zinc/29/75/20/202297520.db2.gz WQSGRSYTWXNDJS-JBLDHEPKSA-N 2 2 251.378 0.974 20 0 CCADLP Cc1nnc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)[nH]1 ZINC000329357597 202297522 /nfs/dbraw/zinc/29/75/22/202297522.db2.gz WQSGRSYTWXNDJS-JBLDHEPKSA-N 2 2 251.378 0.974 20 0 CCADLP C[C@H]1C[N@H+](CCN2CC[NH2+]C[C@H]2C(F)F)CCO1 ZINC000563149466 291199232 /nfs/dbraw/zinc/19/92/32/291199232.db2.gz BKMAPQWSHLIUAD-QWRGUYRKSA-N 2 2 263.332 0.246 20 0 CCADLP C[C@H]1C[N@@H+](CCN2CC[NH2+]C[C@H]2C(F)F)CCO1 ZINC000563149466 291199233 /nfs/dbraw/zinc/19/92/33/291199233.db2.gz BKMAPQWSHLIUAD-QWRGUYRKSA-N 2 2 263.332 0.246 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655915066 412692247 /nfs/dbraw/zinc/69/22/47/412692247.db2.gz KYSYGPICTXFOOZ-ZCFIWIBFSA-N 2 2 265.239 0.109 20 0 CCADLP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592479405 359851253 /nfs/dbraw/zinc/85/12/53/359851253.db2.gz XAZIJTATSVULDY-STQMWFEESA-N 2 2 297.399 0.130 20 0 CCADLP COC(=O)CCNC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592479405 359851258 /nfs/dbraw/zinc/85/12/58/359851258.db2.gz XAZIJTATSVULDY-STQMWFEESA-N 2 2 297.399 0.130 20 0 CCADLP COC(=O)c1ccccc1N(C)C(=O)C[N@H+](C)CCC[NH3+] ZINC000592474223 359851384 /nfs/dbraw/zinc/85/13/84/359851384.db2.gz CTDCFJRNBKPHMB-UHFFFAOYSA-N 2 2 293.367 0.717 20 0 CCADLP COC(=O)c1ccccc1N(C)C(=O)C[N@@H+](C)CCC[NH3+] ZINC000592474223 359851387 /nfs/dbraw/zinc/85/13/87/359851387.db2.gz CTDCFJRNBKPHMB-UHFFFAOYSA-N 2 2 293.367 0.717 20 0 CCADLP C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(C)([NH3+])CC1 ZINC000592485739 359853488 /nfs/dbraw/zinc/85/34/88/359853488.db2.gz WXYXRTAJNXKJRH-VIFPVBQESA-N 2 2 268.361 0.176 20 0 CCADLP CCOC[C@@H](C(=O)OC)[N@H+](C)CCn1cc[nH+]c1C ZINC000611225189 363687889 /nfs/dbraw/zinc/68/78/89/363687889.db2.gz UEPJNZAGOQJNER-LBPRGKRZSA-N 2 2 269.345 0.701 20 0 CCADLP CCOC[C@@H](C(=O)OC)[N@@H+](C)CCn1cc[nH+]c1C ZINC000611225189 363687895 /nfs/dbraw/zinc/68/78/95/363687895.db2.gz UEPJNZAGOQJNER-LBPRGKRZSA-N 2 2 269.345 0.701 20 0 CCADLP Cn1cc(C[NH+]2CCN(C(=O)[C@]3(C)CCC[NH2+]3)CC2)cn1 ZINC000563213095 291206471 /nfs/dbraw/zinc/20/64/71/291206471.db2.gz NYCCJQNKACHMPS-HNNXBMFYSA-N 2 2 291.399 0.206 20 0 CCADLP CC[N@H+](CCO)CCNC(=O)NCc1c[nH+]ccc1OC ZINC000298014600 200317611 /nfs/dbraw/zinc/31/76/11/200317611.db2.gz PDXGLZMAWKZMPR-UHFFFAOYSA-N 2 2 296.371 0.204 20 0 CCADLP CC[N@@H+](CCO)CCNC(=O)NCc1c[nH+]ccc1OC ZINC000298014600 200317612 /nfs/dbraw/zinc/31/76/12/200317612.db2.gz PDXGLZMAWKZMPR-UHFFFAOYSA-N 2 2 296.371 0.204 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[NH2+]1 ZINC000621159149 366661204 /nfs/dbraw/zinc/66/12/04/366661204.db2.gz DIMZANWDTWQPNW-OCCSQVGLSA-N 2 2 276.384 0.902 20 0 CCADLP C[C@H](O)CNc1cc(NCC[NH+]2CCSCC2)nc[nH+]1 ZINC000298258455 200373759 /nfs/dbraw/zinc/37/37/59/200373759.db2.gz OAFNEHMHRHJDCL-NSHDSACASA-N 2 2 297.428 0.730 20 0 CCADLP COC(=O)c1cccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000593902405 360201543 /nfs/dbraw/zinc/20/15/43/360201543.db2.gz SRJADWDSCHSCQN-ZDUSSCGKSA-N 2 2 293.367 0.368 20 0 CCADLP CSCC[C@@H](C)N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000593908788 360205372 /nfs/dbraw/zinc/20/53/72/360205372.db2.gz DOGLVEGDCSEKHG-GHMZBOCLSA-N 2 2 261.435 0.865 20 0 CCADLP CN1CCN(C(=O)Nc2ccc3[nH+]ccn3c2)[C@@H](C[NH3+])C1 ZINC000563456837 291231715 /nfs/dbraw/zinc/23/17/15/291231715.db2.gz LFMDPCBIXOWCJI-LBPRGKRZSA-N 2 2 288.355 0.441 20 0 CCADLP COc1ncc(C)cc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000563470545 291232383 /nfs/dbraw/zinc/23/23/83/291232383.db2.gz YVCPJFBRPPYBFN-NSHDSACASA-N 2 2 293.371 0.505 20 0 CCADLP COc1ncc(C)cc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000563470545 291232386 /nfs/dbraw/zinc/23/23/86/291232386.db2.gz YVCPJFBRPPYBFN-NSHDSACASA-N 2 2 293.371 0.505 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@H](C2CC2)C(F)(F)F)[C@H](C[NH3+])C1 ZINC000563498199 291233359 /nfs/dbraw/zinc/23/33/59/291233359.db2.gz OHQPRJDIUYLVTM-NXEZZACHSA-N 2 2 294.321 0.612 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@H](C2CC2)C(F)(F)F)[C@H](C[NH3+])C1 ZINC000563498199 291233361 /nfs/dbraw/zinc/23/33/61/291233361.db2.gz OHQPRJDIUYLVTM-NXEZZACHSA-N 2 2 294.321 0.612 20 0 CCADLP CC(C)OC(=O)CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595868591 360686121 /nfs/dbraw/zinc/68/61/21/360686121.db2.gz QSUNDFYNQCYRHL-AWEZNQCLSA-N 2 2 284.400 0.859 20 0 CCADLP CC(C)OC(=O)CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595868591 360686123 /nfs/dbraw/zinc/68/61/23/360686123.db2.gz QSUNDFYNQCYRHL-AWEZNQCLSA-N 2 2 284.400 0.859 20 0 CCADLP CCOC(=O)C1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000595894258 360693986 /nfs/dbraw/zinc/69/39/86/360693986.db2.gz WHVGUGGDNSRYCV-LBPRGKRZSA-N 2 2 256.346 0.250 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C(=O)OC)[C@H](C)C1 ZINC000595819734 360666225 /nfs/dbraw/zinc/66/62/25/360666225.db2.gz PYNOKKQKJAWPEI-UPJWGTAASA-N 2 2 272.389 0.430 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](C(=O)OC)[C@H](C)C1 ZINC000595819734 360666230 /nfs/dbraw/zinc/66/62/30/360666230.db2.gz PYNOKKQKJAWPEI-UPJWGTAASA-N 2 2 272.389 0.430 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](C(=O)OC)[C@H](C)C1 ZINC000595819734 360666233 /nfs/dbraw/zinc/66/62/33/360666233.db2.gz PYNOKKQKJAWPEI-UPJWGTAASA-N 2 2 272.389 0.430 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](C(=O)OC)[C@H](C)C1 ZINC000595819734 360666236 /nfs/dbraw/zinc/66/62/36/360666236.db2.gz PYNOKKQKJAWPEI-UPJWGTAASA-N 2 2 272.389 0.430 20 0 CCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)C[NH2+]C(C)C)CC1 ZINC000595928354 360707865 /nfs/dbraw/zinc/70/78/65/360707865.db2.gz QYRXTRJPTOFZAO-GFCCVEGCSA-N 2 2 285.388 0.080 20 0 CCADLP COC(=O)Cc1cc[nH+]c(N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000596168865 360819618 /nfs/dbraw/zinc/81/96/18/360819618.db2.gz YSRPUZWPTNILKU-YPMHNXCESA-N 2 2 293.367 0.928 20 0 CCADLP COC(=O)Cc1cc[nH+]c(N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000596168865 360819623 /nfs/dbraw/zinc/81/96/23/360819623.db2.gz YSRPUZWPTNILKU-YPMHNXCESA-N 2 2 293.367 0.928 20 0 CCADLP Cn1c2ccccc2[nH+]c1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000179279406 189182712 /nfs/dbraw/zinc/18/27/12/189182712.db2.gz WTCYRXXGEDGLCE-GFCCVEGCSA-N 2 2 290.367 0.678 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCc2cccs2)[C@H](C[NH3+])C1 ZINC000563693092 291246903 /nfs/dbraw/zinc/24/69/03/291246903.db2.gz UUBZQGWJVHULPA-LLVKDONJSA-N 2 2 282.413 0.575 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCc2cccs2)[C@H](C[NH3+])C1 ZINC000563693092 291246905 /nfs/dbraw/zinc/24/69/05/291246905.db2.gz UUBZQGWJVHULPA-LLVKDONJSA-N 2 2 282.413 0.575 20 0 CCADLP CNS(=O)(=O)CC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000621259918 366686469 /nfs/dbraw/zinc/68/64/69/366686469.db2.gz MNMGFKZEUIBEIY-GFCCVEGCSA-N 2 2 277.434 0.342 20 0 CCADLP CNS(=O)(=O)CC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000621259918 366686475 /nfs/dbraw/zinc/68/64/75/366686475.db2.gz MNMGFKZEUIBEIY-GFCCVEGCSA-N 2 2 277.434 0.342 20 0 CCADLP CNS(=O)(=O)CC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000621259918 366686483 /nfs/dbraw/zinc/68/64/83/366686483.db2.gz MNMGFKZEUIBEIY-GFCCVEGCSA-N 2 2 277.434 0.342 20 0 CCADLP CNS(=O)(=O)CC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000621259918 366686487 /nfs/dbraw/zinc/68/64/87/366686487.db2.gz MNMGFKZEUIBEIY-GFCCVEGCSA-N 2 2 277.434 0.342 20 0 CCADLP C[NH2+][C@H](C)C(=O)N(C)Cc1cn2c([nH+]1)CCCC2 ZINC000516663172 283666549 /nfs/dbraw/zinc/66/65/49/283666549.db2.gz GJEQBDLJUKILHB-SNVBAGLBSA-N 2 2 250.346 0.786 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000599302217 361643573 /nfs/dbraw/zinc/64/35/73/361643573.db2.gz AVSOIDGAXPQBPI-KGLIPLIRSA-N 2 2 286.416 0.964 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000599302217 361643576 /nfs/dbraw/zinc/64/35/76/361643576.db2.gz AVSOIDGAXPQBPI-KGLIPLIRSA-N 2 2 286.416 0.964 20 0 CCADLP COC(=O)CCCC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000599333891 361655524 /nfs/dbraw/zinc/65/55/24/361655524.db2.gz BIJKEKYKSYHSQL-UHFFFAOYSA-N 2 2 280.372 0.885 20 0 CCADLP C[C@H]([NH3+])C(=O)Nc1ccc(-c2n[nH]c(C[NH3+])n2)cc1 ZINC000564572656 291285895 /nfs/dbraw/zinc/28/58/95/291285895.db2.gz SUOPVMLYXWGIPT-ZETCQYMHSA-N 2 2 260.301 0.216 20 0 CCADLP CC[N@@H+]1CCC[C@@H](CNC(=O)NCc2c[nH+]cn2C)C1 ZINC000564597960 291288242 /nfs/dbraw/zinc/28/82/42/291288242.db2.gz MCHRDOZOEBCXPQ-LBPRGKRZSA-N 2 2 279.388 0.951 20 0 CCADLP CC[N@H+]1CCC[C@@H](CNC(=O)NCc2c[nH+]cn2C)C1 ZINC000564597960 291288246 /nfs/dbraw/zinc/28/82/46/291288246.db2.gz MCHRDOZOEBCXPQ-LBPRGKRZSA-N 2 2 279.388 0.951 20 0 CCADLP CC1(C)CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[NH2+]1 ZINC000611893241 363802773 /nfs/dbraw/zinc/80/27/73/363802773.db2.gz WMHZQWYFHCVDHZ-LLVKDONJSA-N 2 2 262.357 0.656 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H]1C[N@H+](C)CCO1 ZINC000612669349 363983874 /nfs/dbraw/zinc/98/38/74/363983874.db2.gz GEJWRAYRAGKULI-HKUMRIAESA-N 2 2 292.383 0.359 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H]1C[N@@H+](C)CCO1 ZINC000612669349 363983878 /nfs/dbraw/zinc/98/38/78/363983878.db2.gz GEJWRAYRAGKULI-HKUMRIAESA-N 2 2 292.383 0.359 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N[C@@]1(C)CC[NH2+]C1)[NH+]1CCOCC1 ZINC000612879011 364031906 /nfs/dbraw/zinc/03/19/06/364031906.db2.gz QFBBNSFIKTYFNO-SCRDCRAPSA-N 2 2 284.404 0.147 20 0 CCADLP C[C@@]1(NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC[NH2+]C1 ZINC000612909163 364041740 /nfs/dbraw/zinc/04/17/40/364041740.db2.gz KHZYDJOOFGLPGV-NOZJJQNGSA-N 2 2 263.345 0.318 20 0 CCADLP C[C@@]1(NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC[NH2+]C1 ZINC000612909163 364041746 /nfs/dbraw/zinc/04/17/46/364041746.db2.gz KHZYDJOOFGLPGV-NOZJJQNGSA-N 2 2 263.345 0.318 20 0 CCADLP CCN(CC(F)(F)F)C(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631836787 370701901 /nfs/dbraw/zinc/70/19/01/370701901.db2.gz GYPOCABECZQBCJ-NXEZZACHSA-N 2 2 281.322 0.924 20 0 CCADLP CCN(CC(F)(F)F)C(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631836787 370701904 /nfs/dbraw/zinc/70/19/04/370701904.db2.gz GYPOCABECZQBCJ-NXEZZACHSA-N 2 2 281.322 0.924 20 0 CCADLP CC1([NH+]2CCCC2)CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000631836723 370701932 /nfs/dbraw/zinc/70/19/32/370701932.db2.gz FUAHDLRAIMSDAH-UHFFFAOYSA-N 3 2 280.460 0.842 20 0 CCADLP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)[C@H](O)C(F)(F)F ZINC000564799252 291301708 /nfs/dbraw/zinc/30/17/08/291301708.db2.gz QJRYBAVFXUROBE-DCAQKATOSA-N 2 2 284.322 0.733 20 0 CCADLP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)[C@H](O)C(F)(F)F ZINC000564799252 291301711 /nfs/dbraw/zinc/30/17/11/291301711.db2.gz QJRYBAVFXUROBE-DCAQKATOSA-N 2 2 284.322 0.733 20 0 CCADLP CS(=O)(=O)CCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631887130 370738287 /nfs/dbraw/zinc/73/82/87/370738287.db2.gz MHDSEZQNPJVIPH-NWDGAFQWSA-N 2 2 260.403 0.495 20 0 CCADLP CS(=O)(=O)CCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631887130 370738293 /nfs/dbraw/zinc/73/82/93/370738293.db2.gz MHDSEZQNPJVIPH-NWDGAFQWSA-N 2 2 260.403 0.495 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)CC1 ZINC000631890453 370740265 /nfs/dbraw/zinc/74/02/65/370740265.db2.gz POLKYTJWLXFESH-HUUCEWRRSA-N 3 2 294.443 0.224 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)CC1 ZINC000631890453 370740267 /nfs/dbraw/zinc/74/02/67/370740267.db2.gz POLKYTJWLXFESH-HUUCEWRRSA-N 3 2 294.443 0.224 20 0 CCADLP C[NH+](C)C1(CS(=O)(=O)N2CC[NH2+]CC2(C)C)CC1 ZINC000631906593 370755546 /nfs/dbraw/zinc/75/55/46/370755546.db2.gz QRBRNVIMPWUNBS-UHFFFAOYSA-N 2 2 275.418 0.094 20 0 CCADLP C[C@@H](CNC[C@@H](O)C[NH+]1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000564845758 291306126 /nfs/dbraw/zinc/30/61/26/291306126.db2.gz WZQSQUQBVNFPHZ-OWCLPIDISA-N 2 2 299.459 0.390 20 0 CCADLP C[C@@H](CNC[C@@H](O)C[NH+]1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000564845758 291306129 /nfs/dbraw/zinc/30/61/29/291306129.db2.gz WZQSQUQBVNFPHZ-OWCLPIDISA-N 2 2 299.459 0.390 20 0 CCADLP C[C@H](CNC[C@H](O)C[NH+]1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000564845755 291306411 /nfs/dbraw/zinc/30/64/11/291306411.db2.gz WZQSQUQBVNFPHZ-OAGGEKHMSA-N 2 2 299.459 0.390 20 0 CCADLP C[C@H](CNC[C@H](O)C[NH+]1CCOCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000564845755 291306412 /nfs/dbraw/zinc/30/64/12/291306412.db2.gz WZQSQUQBVNFPHZ-OAGGEKHMSA-N 2 2 299.459 0.390 20 0 CCADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)[C@]12CCCO2 ZINC000564872483 291309773 /nfs/dbraw/zinc/30/97/73/291309773.db2.gz HONXEMJAQROMCZ-QKPAOTATSA-N 2 2 298.427 0.758 20 0 CCADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)[C@]12CCCO2 ZINC000564872483 291309776 /nfs/dbraw/zinc/30/97/76/291309776.db2.gz HONXEMJAQROMCZ-QKPAOTATSA-N 2 2 298.427 0.758 20 0 CCADLP C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCc3c[nH+]cn3C1)C2 ZINC000614035112 364468669 /nfs/dbraw/zinc/46/86/69/364468669.db2.gz MSVDJMDKQQKJRW-LBPRGKRZSA-N 2 2 274.368 0.610 20 0 CCADLP C[NH+]1CCN(CC(=O)Nc2ccn3cc[nH+]c3c2)CC1 ZINC000614275962 364559669 /nfs/dbraw/zinc/55/96/69/364559669.db2.gz QPJMNVSAGVFLRB-UHFFFAOYSA-N 2 2 273.340 0.520 20 0 CCADLP CC(=O)N1CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c2ccccc21 ZINC000621752331 366860706 /nfs/dbraw/zinc/86/07/06/366860706.db2.gz YALITGHYJHFLFP-HIFRSBDPSA-N 2 2 291.395 0.996 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000614839969 364742694 /nfs/dbraw/zinc/74/26/94/364742694.db2.gz VYNWAYCVVAABOC-UWVGGRQHSA-N 2 2 250.346 0.581 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000614839969 364742698 /nfs/dbraw/zinc/74/26/98/364742698.db2.gz VYNWAYCVVAABOC-UWVGGRQHSA-N 2 2 250.346 0.581 20 0 CCADLP C[C@]1(F)C[NH2+]CCN(C(=O)[C@H]([NH3+])c2cscn2)C1 ZINC000564958490 291326322 /nfs/dbraw/zinc/32/63/22/291326322.db2.gz NCOFJIOZULAZNA-KOLCDFICSA-N 2 2 272.349 0.303 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCOC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000615269412 364901814 /nfs/dbraw/zinc/90/18/14/364901814.db2.gz KXOKYJUVOOVGRG-ZIAGYGMSSA-N 2 2 292.383 0.284 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCOC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000615269412 364901818 /nfs/dbraw/zinc/90/18/18/364901818.db2.gz KXOKYJUVOOVGRG-ZIAGYGMSSA-N 2 2 292.383 0.284 20 0 CCADLP CC(C)OC[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000564975687 291329156 /nfs/dbraw/zinc/32/91/56/291329156.db2.gz MCEVKHYWQVYPKQ-KBPBESRZSA-N 2 2 274.405 0.209 20 0 CCADLP CC(C)OC[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000564975687 291329158 /nfs/dbraw/zinc/32/91/58/291329158.db2.gz MCEVKHYWQVYPKQ-KBPBESRZSA-N 2 2 274.405 0.209 20 0 CCADLP COCc1noc([C@H](C)[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)n1 ZINC000564987891 291331745 /nfs/dbraw/zinc/33/17/45/291331745.db2.gz RQQPQNGLNVCNHC-UTLUCORTSA-N 2 2 254.334 0.946 20 0 CCADLP COCc1noc([C@H](C)[N@H+]2C[C@H](C[NH3+])C[C@H]2C)n1 ZINC000564987891 291331749 /nfs/dbraw/zinc/33/17/49/291331749.db2.gz RQQPQNGLNVCNHC-UTLUCORTSA-N 2 2 254.334 0.946 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000615539152 364997981 /nfs/dbraw/zinc/99/79/81/364997981.db2.gz YKNRZFIVYHCJMV-ZDUSSCGKSA-N 2 2 292.383 0.666 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCC2(C)C)[C@@H](C[NH3+])C1 ZINC000565295022 291369620 /nfs/dbraw/zinc/36/96/20/291369620.db2.gz WZOJEXHNSKYOHJ-QWRGUYRKSA-N 2 2 254.378 0.459 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@H]2CCC2(C)C)[C@@H](C[NH3+])C1 ZINC000565295022 291369621 /nfs/dbraw/zinc/36/96/21/291369621.db2.gz WZOJEXHNSKYOHJ-QWRGUYRKSA-N 2 2 254.378 0.459 20 0 CCADLP Cn1c2ccccc2nc1CN1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000566230464 291379786 /nfs/dbraw/zinc/37/97/86/291379786.db2.gz YQKKLDQVQMRCMU-LBPRGKRZSA-N 2 2 273.384 0.648 20 0 CCADLP Cn1c2ccccc2nc1CN1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000566230464 291379785 /nfs/dbraw/zinc/37/97/85/291379785.db2.gz YQKKLDQVQMRCMU-LBPRGKRZSA-N 2 2 273.384 0.648 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC(CC(F)(F)F)C1 ZINC000656151959 412752549 /nfs/dbraw/zinc/75/25/49/412752549.db2.gz VHEPDHKHVJTMCY-NSHDSACASA-N 2 2 284.322 0.810 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC(CC(F)(F)F)C1 ZINC000656151959 412752556 /nfs/dbraw/zinc/75/25/56/412752556.db2.gz VHEPDHKHVJTMCY-NSHDSACASA-N 2 2 284.322 0.810 20 0 CCADLP C[C@H]([NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)C(=O)Nc1ncccn1 ZINC000574143779 334995485 /nfs/dbraw/zinc/99/54/85/334995485.db2.gz SBJXDZCURSWNJB-FIQHERPVSA-N 2 2 277.372 0.780 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C[NH2+]1 ZINC000623180688 367469025 /nfs/dbraw/zinc/46/90/25/367469025.db2.gz UPSBJSMPKGGNKD-GRYCIOLGSA-N 2 2 262.357 0.702 20 0 CCADLP O=C([C@H]1CCn2cc[nH+]c2C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000623176657 367464735 /nfs/dbraw/zinc/46/47/35/367464735.db2.gz KGRVTJZYYNBODN-WCQYABFASA-N 2 2 274.368 0.798 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1(C)C ZINC000623373098 367551220 /nfs/dbraw/zinc/55/12/20/367551220.db2.gz RUYCNAZSGXHBMU-KBPBESRZSA-N 3 2 269.433 0.906 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1(C)C ZINC000623373098 367551228 /nfs/dbraw/zinc/55/12/28/367551228.db2.gz RUYCNAZSGXHBMU-KBPBESRZSA-N 3 2 269.433 0.906 20 0 CCADLP C[C@H](CC(=O)N1CC[NH2+]C[C@@](C)(F)C1)n1cc[nH+]c1 ZINC000574167906 334997673 /nfs/dbraw/zinc/99/76/73/334997673.db2.gz XWGGKGQVYJMOFP-DGCLKSJQSA-N 2 2 268.336 0.994 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cscn1 ZINC000623618316 367606505 /nfs/dbraw/zinc/60/65/05/367606505.db2.gz MKFLGZDOGQVKHF-NSHDSACASA-N 2 2 268.386 0.573 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cscn1 ZINC000623618316 367606514 /nfs/dbraw/zinc/60/65/14/367606514.db2.gz MKFLGZDOGQVKHF-NSHDSACASA-N 2 2 268.386 0.573 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H](CO)c2ccnn2C)[C@@H](C)C1 ZINC000624017688 367726711 /nfs/dbraw/zinc/72/67/11/367726711.db2.gz CRSMCZXVUUSKGC-AVGNSLFASA-N 2 2 266.389 0.773 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+][C@@H](CO)c2ccnn2C)[C@@H](C)C1 ZINC000624017688 367726718 /nfs/dbraw/zinc/72/67/18/367726718.db2.gz CRSMCZXVUUSKGC-AVGNSLFASA-N 2 2 266.389 0.773 20 0 CCADLP C[C@H]1COCC[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624086498 367750122 /nfs/dbraw/zinc/75/01/22/367750122.db2.gz IWIGLZKQRJPDOE-XQQFMLRXSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H]1COCC[C@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624086498 367750125 /nfs/dbraw/zinc/75/01/25/367750125.db2.gz IWIGLZKQRJPDOE-XQQFMLRXSA-N 2 2 269.389 0.341 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000632143077 370888533 /nfs/dbraw/zinc/88/85/33/370888533.db2.gz MWWIYPDHQJGRQH-UHFFFAOYSA-N 2 2 260.363 0.171 20 0 CCADLP C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)c1[nH+]ccn1C ZINC000624389347 367867768 /nfs/dbraw/zinc/86/77/68/367867768.db2.gz XSHIHBGASKPXBP-MNOVXSKESA-N 2 2 265.361 0.875 20 0 CCADLP C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+]1C)c1[nH+]ccn1C ZINC000624389347 367867770 /nfs/dbraw/zinc/86/77/70/367867770.db2.gz XSHIHBGASKPXBP-MNOVXSKESA-N 2 2 265.361 0.875 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNc1cc(NCC2CC2)[nH+]cn1 ZINC000624619867 367930470 /nfs/dbraw/zinc/93/04/70/367930470.db2.gz NZDBMJATGIOUNU-GFCCVEGCSA-N 2 2 277.372 0.463 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNc1cc(NCC2CC2)[nH+]cn1 ZINC000624619867 367930479 /nfs/dbraw/zinc/93/04/79/367930479.db2.gz NZDBMJATGIOUNU-GFCCVEGCSA-N 2 2 277.372 0.463 20 0 CCADLP CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000624740580 367979344 /nfs/dbraw/zinc/97/93/44/367979344.db2.gz RYJHFXOLHPVAKQ-ZIAGYGMSSA-N 2 2 298.431 0.348 20 0 CCADLP CC[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2COCC[NH+]2C)C1 ZINC000624740580 367979349 /nfs/dbraw/zinc/97/93/49/367979349.db2.gz RYJHFXOLHPVAKQ-ZIAGYGMSSA-N 2 2 298.431 0.348 20 0 CCADLP CC[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2COCC[N@@H+]2C)C1 ZINC000624740580 367979353 /nfs/dbraw/zinc/97/93/53/367979353.db2.gz RYJHFXOLHPVAKQ-ZIAGYGMSSA-N 2 2 298.431 0.348 20 0 CCADLP CC[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2COCC[N@H+]2C)C1 ZINC000624740580 367979357 /nfs/dbraw/zinc/97/93/57/367979357.db2.gz RYJHFXOLHPVAKQ-ZIAGYGMSSA-N 2 2 298.431 0.348 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000624744377 367981408 /nfs/dbraw/zinc/98/14/08/367981408.db2.gz QSEKOFLNTOAKOQ-MCIONIFRSA-N 2 2 296.415 0.243 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000624744377 367981410 /nfs/dbraw/zinc/98/14/10/367981410.db2.gz QSEKOFLNTOAKOQ-MCIONIFRSA-N 2 2 296.415 0.243 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000624744377 367981412 /nfs/dbraw/zinc/98/14/12/367981412.db2.gz QSEKOFLNTOAKOQ-MCIONIFRSA-N 2 2 296.415 0.243 20 0 CCADLP C[NH+]1CCOC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000624744377 367981413 /nfs/dbraw/zinc/98/14/13/367981413.db2.gz QSEKOFLNTOAKOQ-MCIONIFRSA-N 2 2 296.415 0.243 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)CN1CCc2[nH+]c[nH]c2C1 ZINC000625434921 368199530 /nfs/dbraw/zinc/19/95/30/368199530.db2.gz LOSGUNNFGSMQEQ-LLVKDONJSA-N 2 2 252.362 0.469 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)CN1CCc2[nH+]c[nH]c2C1 ZINC000625434921 368199538 /nfs/dbraw/zinc/19/95/38/368199538.db2.gz LOSGUNNFGSMQEQ-LLVKDONJSA-N 2 2 252.362 0.469 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)Nc1cccc(C[NH3+])c1 ZINC000625894603 368360610 /nfs/dbraw/zinc/36/06/10/368360610.db2.gz RESRNBZYMCRFMT-ZDUSSCGKSA-N 2 2 278.356 0.597 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)Nc1cccc(C[NH3+])c1 ZINC000625894603 368360611 /nfs/dbraw/zinc/36/06/11/368360611.db2.gz RESRNBZYMCRFMT-ZDUSSCGKSA-N 2 2 278.356 0.597 20 0 CCADLP CNS(=O)(=O)C[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000626167241 368470471 /nfs/dbraw/zinc/47/04/71/368470471.db2.gz RFHAYWWXLZWIMH-GFCCVEGCSA-N 2 2 286.401 0.144 20 0 CCADLP CNS(=O)(=O)C[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000626167241 368470483 /nfs/dbraw/zinc/47/04/83/368470483.db2.gz RFHAYWWXLZWIMH-GFCCVEGCSA-N 2 2 286.401 0.144 20 0 CCADLP CC(=O)NC[C@@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000626159759 368466576 /nfs/dbraw/zinc/46/65/76/368466576.db2.gz TZGVJTOUACTLIV-LSDHHAIUSA-N 2 2 283.416 0.432 20 0 CCADLP CC(=O)NC[C@@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000626159759 368466584 /nfs/dbraw/zinc/46/65/84/368466584.db2.gz TZGVJTOUACTLIV-LSDHHAIUSA-N 2 2 283.416 0.432 20 0 CCADLP CC(=O)NC[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000626159759 368466588 /nfs/dbraw/zinc/46/65/88/368466588.db2.gz TZGVJTOUACTLIV-LSDHHAIUSA-N 2 2 283.416 0.432 20 0 CCADLP CC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000626159759 368466596 /nfs/dbraw/zinc/46/65/96/368466596.db2.gz TZGVJTOUACTLIV-LSDHHAIUSA-N 2 2 283.416 0.432 20 0 CCADLP Cc1cc(NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)c(C)c[nH+]1 ZINC000626469738 368555523 /nfs/dbraw/zinc/55/55/23/368555523.db2.gz LYRAPQYQYGYWDJ-GFCCVEGCSA-N 2 2 278.356 0.308 20 0 CCADLP Cc1cc(NC(=O)NCC[N@H+]2CC[C@@H](O)C2)c(C)c[nH+]1 ZINC000626469738 368555530 /nfs/dbraw/zinc/55/55/30/368555530.db2.gz LYRAPQYQYGYWDJ-GFCCVEGCSA-N 2 2 278.356 0.308 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC3(C[NH+](C)C3)C1)CC2 ZINC000626670684 368604987 /nfs/dbraw/zinc/60/49/87/368604987.db2.gz ZERJWNLXEDQXQN-CYBMUJFWSA-N 2 2 288.395 0.918 20 0 CCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)NC[C@H]1CCC[NH2+]1 ZINC000566786623 291437409 /nfs/dbraw/zinc/43/74/09/291437409.db2.gz TYCYBKPHRYEGOZ-GFCCVEGCSA-N 2 2 291.399 0.813 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000626940470 368691191 /nfs/dbraw/zinc/69/11/91/368691191.db2.gz ZOLPKFOOCYERCD-GRYCIOLGSA-N 2 2 265.361 0.711 20 0 CCADLP O=C(NCc1cn2ccccc2[nH+]1)N[C@@H]1CC[NH2+]C1 ZINC000626923370 368680234 /nfs/dbraw/zinc/68/02/34/368680234.db2.gz MTAPKZHUWQKJBQ-SNVBAGLBSA-N 2 2 259.313 0.495 20 0 CCADLP C[C@H](CNC(=O)N[C@H]1CC[NH2+]C12CCC2)[NH+]1CCOCC1 ZINC000626933539 368684810 /nfs/dbraw/zinc/68/48/10/368684810.db2.gz MEVBWRILWWOGGX-OLZOCXBDSA-N 2 2 296.415 0.291 20 0 CCADLP O=C(NCCCNc1cccc[nH+]1)NC[C@H]1COCC[NH2+]1 ZINC000626938159 368686659 /nfs/dbraw/zinc/68/66/59/368686659.db2.gz NCSOPYGLRIDALV-LBPRGKRZSA-N 2 2 293.371 0.171 20 0 CCADLP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ncc[nH]1 ZINC000330613176 203038708 /nfs/dbraw/zinc/03/87/08/203038708.db2.gz RCMAMCVPYCXSFG-LLVKDONJSA-N 2 2 252.362 0.907 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C[NH2+]1 ZINC000627209843 368881956 /nfs/dbraw/zinc/88/19/56/368881956.db2.gz JAMYYNXHGMEGPG-MGPQQGTHSA-N 2 2 296.415 0.243 20 0 CCADLP C[C@@H](CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C)n1cc[nH+]c1 ZINC000627656331 369069287 /nfs/dbraw/zinc/06/92/87/369069287.db2.gz CTLPDAHWAWWVGY-CIQGVGRVSA-N 2 2 262.357 0.853 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc(C)[nH+]c3C2)C1 ZINC000627764176 369093239 /nfs/dbraw/zinc/09/32/39/369093239.db2.gz UVCITAPUOZDSSB-STQMWFEESA-N 2 2 276.384 0.964 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc(C)[nH+]c3C2)C1 ZINC000627764176 369093243 /nfs/dbraw/zinc/09/32/43/369093243.db2.gz UVCITAPUOZDSSB-STQMWFEESA-N 2 2 276.384 0.964 20 0 CCADLP C[N@H+]1CCO[C@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]21 ZINC000574338288 335011934 /nfs/dbraw/zinc/01/19/34/335011934.db2.gz RRUMHPDDPDVSGC-KGLIPLIRSA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+]1CCO[C@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]21 ZINC000574338288 335011936 /nfs/dbraw/zinc/01/19/36/335011936.db2.gz RRUMHPDDPDVSGC-KGLIPLIRSA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+]1CCO[C@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]21 ZINC000574338288 335011937 /nfs/dbraw/zinc/01/19/37/335011937.db2.gz RRUMHPDDPDVSGC-KGLIPLIRSA-N 2 2 295.427 0.650 20 0 CCADLP Cc1nc(C)c(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)o1 ZINC000628214066 369213862 /nfs/dbraw/zinc/21/38/62/369213862.db2.gz JJCXVOVHXFAURG-CYBMUJFWSA-N 2 2 294.399 0.968 20 0 CCADLP Cc1nc(C)c(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)o1 ZINC000628214066 369213867 /nfs/dbraw/zinc/21/38/67/369213867.db2.gz JJCXVOVHXFAURG-CYBMUJFWSA-N 2 2 294.399 0.968 20 0 CCADLP COC(=O)[C@@](C)(O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000330726348 203159193 /nfs/dbraw/zinc/15/91/93/203159193.db2.gz FPBKEWVHGYXOFZ-ZDUSSCGKSA-N 2 2 267.329 0.444 20 0 CCADLP Cc1[nH]c(CN2CC[NH+](CCC(=O)N(C)C)CC2)[nH+]c1C ZINC000628185191 369208113 /nfs/dbraw/zinc/20/81/13/369208113.db2.gz OTMNZSXADVSPTI-UHFFFAOYSA-N 2 2 293.415 0.622 20 0 CCADLP Cc1[nH]c(CN2CC[N@H+](CCO)[C@@H](C)C2)[nH+]c1C ZINC000628242098 369222425 /nfs/dbraw/zinc/22/24/25/369222425.db2.gz RTSNEFOGTCFOLC-JTQLQIEISA-N 2 2 252.362 0.525 20 0 CCADLP Cc1[nH]c(CN2CC[N@@H+](CCO)[C@@H](C)C2)[nH+]c1C ZINC000628242098 369222431 /nfs/dbraw/zinc/22/24/31/369222431.db2.gz RTSNEFOGTCFOLC-JTQLQIEISA-N 2 2 252.362 0.525 20 0 CCADLP Cc1c[nH]c(CN2CN(CC[NH+](C)C)C(=O)[C@H]2C)[nH+]1 ZINC000628322432 369241223 /nfs/dbraw/zinc/24/12/23/369241223.db2.gz SZKCGUDCYLACJZ-LLVKDONJSA-N 2 2 265.361 0.270 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000628421603 369265492 /nfs/dbraw/zinc/26/54/92/369265492.db2.gz KBNQVPSIUBANHC-IHRRRGAJSA-N 2 2 281.400 0.483 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000628421603 369265495 /nfs/dbraw/zinc/26/54/95/369265495.db2.gz KBNQVPSIUBANHC-IHRRRGAJSA-N 2 2 281.400 0.483 20 0 CCADLP COCCOCC[N@H+](CCO)Cc1c[nH+]c2n1CCC2 ZINC000628421707 369266181 /nfs/dbraw/zinc/26/61/81/369266181.db2.gz RHKKBOAAPKYGON-UHFFFAOYSA-N 2 2 283.372 0.287 20 0 CCADLP COCCOCC[N@@H+](CCO)Cc1c[nH+]c2n1CCC2 ZINC000628421707 369266189 /nfs/dbraw/zinc/26/61/89/369266189.db2.gz RHKKBOAAPKYGON-UHFFFAOYSA-N 2 2 283.372 0.287 20 0 CCADLP Cc1nc(C)c(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)o1 ZINC000628421775 369266520 /nfs/dbraw/zinc/26/65/20/369266520.db2.gz WCJDBQWUMTYDIE-LBPRGKRZSA-N 2 2 280.372 0.721 20 0 CCADLP Cc1nc(C)c(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)o1 ZINC000628421775 369266523 /nfs/dbraw/zinc/26/65/23/369266523.db2.gz WCJDBQWUMTYDIE-LBPRGKRZSA-N 2 2 280.372 0.721 20 0 CCADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@H]2CCC[N@@H+]2C)no1 ZINC000330771919 203215058 /nfs/dbraw/zinc/21/50/58/203215058.db2.gz CWGKDFJYPKTNFB-SNVBAGLBSA-N 2 2 295.387 0.577 20 0 CCADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@H]2CCC[N@H+]2C)no1 ZINC000330771919 203215062 /nfs/dbraw/zinc/21/50/62/203215062.db2.gz CWGKDFJYPKTNFB-SNVBAGLBSA-N 2 2 295.387 0.577 20 0 CCADLP O[C@@H]1CC[N@H+](CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000628465167 369271167 /nfs/dbraw/zinc/27/11/67/369271167.db2.gz VICIIFABZYWEKP-MRXNPFEDSA-N 3 2 290.411 0.707 20 0 CCADLP O[C@@H]1CC[N@@H+](CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000628465167 369271169 /nfs/dbraw/zinc/27/11/69/369271169.db2.gz VICIIFABZYWEKP-MRXNPFEDSA-N 3 2 290.411 0.707 20 0 CCADLP C[NH+]1CCC(CC(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000628915138 369452226 /nfs/dbraw/zinc/45/22/26/369452226.db2.gz PROGOXCRXYTSEF-CYBMUJFWSA-N 2 2 269.389 0.165 20 0 CCADLP C[NH+]1CCC(CC(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000628915138 369452231 /nfs/dbraw/zinc/45/22/31/369452231.db2.gz PROGOXCRXYTSEF-CYBMUJFWSA-N 2 2 269.389 0.165 20 0 CCADLP CCn1cc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cn1 ZINC000330884664 203351719 /nfs/dbraw/zinc/35/17/19/203351719.db2.gz PRMHTLFUDMYLTP-WCQYABFASA-N 2 2 252.362 0.620 20 0 CCADLP CCn1cc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cn1 ZINC000330884664 203351722 /nfs/dbraw/zinc/35/17/22/203351722.db2.gz PRMHTLFUDMYLTP-WCQYABFASA-N 2 2 252.362 0.620 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1[nH+]ccn1C ZINC000330899729 203368377 /nfs/dbraw/zinc/36/83/77/203368377.db2.gz QAKLUUZLCWLUHB-PHIMTYICSA-N 2 2 250.346 0.909 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1[nH+]ccn1C ZINC000330899729 203368380 /nfs/dbraw/zinc/36/83/80/203368380.db2.gz QAKLUUZLCWLUHB-PHIMTYICSA-N 2 2 250.346 0.909 20 0 CCADLP CN1CC[C@H]([N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)C1=O ZINC000629564059 369709756 /nfs/dbraw/zinc/70/97/56/369709756.db2.gz RETPVWWFBLCVEP-BBBLOLIVSA-N 2 2 279.306 0.676 20 0 CCADLP CN1CC[C@H]([N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)C1=O ZINC000629564059 369709757 /nfs/dbraw/zinc/70/97/57/369709757.db2.gz RETPVWWFBLCVEP-BBBLOLIVSA-N 2 2 279.306 0.676 20 0 CCADLP CC(C)N1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1=O ZINC000629565219 369711841 /nfs/dbraw/zinc/71/18/41/369711841.db2.gz KGKNRWSDZGAHRH-OLZOCXBDSA-N 2 2 269.389 0.042 20 0 CCADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(=O)N1CCCC[C@H]1C ZINC000629568122 369713600 /nfs/dbraw/zinc/71/36/00/369713600.db2.gz RNKXUUOCRSDLFL-QLFBSQMISA-N 2 2 297.443 0.822 20 0 CCADLP C[NH2+]CCOCC[N@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000629570214 369714247 /nfs/dbraw/zinc/71/42/47/369714247.db2.gz AGIAJWSIOKDIBP-JTQLQIEISA-N 2 2 272.349 0.445 20 0 CCADLP C[NH2+]CCOCC[N@@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000629570214 369714251 /nfs/dbraw/zinc/71/42/51/369714251.db2.gz AGIAJWSIOKDIBP-JTQLQIEISA-N 2 2 272.349 0.445 20 0 CCADLP C[NH2+]CCOCC[N@H+](C)Cc1nc(CC(C)C)no1 ZINC000629568418 369714533 /nfs/dbraw/zinc/71/45/33/369714533.db2.gz KCDFNCJSMSJINX-UHFFFAOYSA-N 2 2 270.377 0.936 20 0 CCADLP C[NH2+]CCOCC[N@@H+](C)Cc1nc(CC(C)C)no1 ZINC000629568418 369714540 /nfs/dbraw/zinc/71/45/40/369714540.db2.gz KCDFNCJSMSJINX-UHFFFAOYSA-N 2 2 270.377 0.936 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC000276506624 193360293 /nfs/dbraw/zinc/36/02/93/193360293.db2.gz ANCSMWCXLPXLPO-OLZOCXBDSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C ZINC000276506624 193360295 /nfs/dbraw/zinc/36/02/95/193360295.db2.gz ANCSMWCXLPXLPO-OLZOCXBDSA-N 2 2 294.399 0.266 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000276507965 193360957 /nfs/dbraw/zinc/36/09/57/193360957.db2.gz ARGYYJCMQVYFSX-ZDUSSCGKSA-N 2 2 264.373 0.905 20 0 CCADLP CCn1nnc(C)c1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000629531210 369692087 /nfs/dbraw/zinc/69/20/87/369692087.db2.gz DKVVBVFGQSVCAV-CYBMUJFWSA-N 2 2 278.404 0.086 20 0 CCADLP [NH3+]C[C@H]([NH2+]CC(=O)N1CCOCC1)C1CCCCC1 ZINC000629537210 369696132 /nfs/dbraw/zinc/69/61/32/369696132.db2.gz OBODBVCDAIUVRH-ZDUSSCGKSA-N 2 2 269.389 0.342 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000629550391 369701844 /nfs/dbraw/zinc/70/18/44/369701844.db2.gz YCYBZFXNEYAEPM-ZZVYKPCYSA-N 2 2 254.374 0.911 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000629550385 369701890 /nfs/dbraw/zinc/70/18/90/369701890.db2.gz YCYBZFXNEYAEPM-RUZUBIRVSA-N 2 2 254.374 0.911 20 0 CCADLP CN(CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)CC(F)F ZINC000629556643 369707242 /nfs/dbraw/zinc/70/72/42/369707242.db2.gz VWBHELKLVLIPRF-YPMHNXCESA-N 2 2 277.359 0.540 20 0 CCADLP CC(C)CNC(=O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584420 369728002 /nfs/dbraw/zinc/72/80/02/369728002.db2.gz QOGJFKWOKMNYNU-OKILXGFUSA-N 2 2 253.390 0.690 20 0 CCADLP CC(C)CNC(=O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584420 369728007 /nfs/dbraw/zinc/72/80/07/369728007.db2.gz QOGJFKWOKMNYNU-OKILXGFUSA-N 2 2 253.390 0.690 20 0 CCADLP C[NH+](C)[C@@H](C(=O)NCC[N@@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000629913205 369821227 /nfs/dbraw/zinc/82/12/27/369821227.db2.gz WJAPSEWMTJUXQR-LSDHHAIUSA-N 2 2 291.395 0.472 20 0 CCADLP C[NH+](C)[C@@H](C(=O)NCC[N@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000629913205 369821232 /nfs/dbraw/zinc/82/12/32/369821232.db2.gz WJAPSEWMTJUXQR-LSDHHAIUSA-N 2 2 291.395 0.472 20 0 CCADLP CC(C)[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+]1CCOCC1 ZINC000629945337 369848520 /nfs/dbraw/zinc/84/85/20/369848520.db2.gz LXSFKIRBKIPSOG-OAHLLOKOSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH+]1CCOCC1 ZINC000629945337 369848524 /nfs/dbraw/zinc/84/85/24/369848524.db2.gz LXSFKIRBKIPSOG-OAHLLOKOSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000629958563 369854611 /nfs/dbraw/zinc/85/46/11/369854611.db2.gz NUCQNHWOYSPMSC-CHWSQXEVSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000629958563 369854614 /nfs/dbraw/zinc/85/46/14/369854614.db2.gz NUCQNHWOYSPMSC-CHWSQXEVSA-N 2 2 283.416 0.696 20 0 CCADLP C[N@H+](CC(=O)NC(C)(C)C[NH+]1CCOCC1)C1CCC1 ZINC000630011920 369893189 /nfs/dbraw/zinc/89/31/89/369893189.db2.gz PCAOBGPTOZOYDV-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP C[N@@H+](CC(=O)NC(C)(C)C[NH+]1CCOCC1)C1CCC1 ZINC000630011920 369893194 /nfs/dbraw/zinc/89/31/94/369893194.db2.gz PCAOBGPTOZOYDV-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H](O)CC1(O)CCOCC1 ZINC000630046289 369921908 /nfs/dbraw/zinc/92/19/08/369921908.db2.gz UMXUMLCVBMNRSQ-AWEZNQCLSA-N 2 2 297.399 0.498 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H](O)CC1(O)CCOCC1 ZINC000630046289 369921909 /nfs/dbraw/zinc/92/19/09/369921909.db2.gz UMXUMLCVBMNRSQ-AWEZNQCLSA-N 2 2 297.399 0.498 20 0 CCADLP OC[C@H]1CCCN(c2cc(N[C@@H]3CC[NH2+]C3)nc[nH+]2)C1 ZINC000630547947 370162594 /nfs/dbraw/zinc/16/25/94/370162594.db2.gz OQTQHDVXTFQZJV-NWDGAFQWSA-N 2 2 277.372 0.459 20 0 CCADLP COC[C@@H]([NH3+])Cc1cn(-c2ccc3[nH]c(C)[nH+]c3c2)nn1 ZINC000630585415 370188484 /nfs/dbraw/zinc/18/84/84/370188484.db2.gz CMKUKBMQGKOLLB-JTQLQIEISA-N 2 2 286.339 0.968 20 0 CCADLP COC[C@@H]([NH3+])Cc1cn(-c2ccc3[nH+]c(C)[nH]c3c2)nn1 ZINC000630585415 370188493 /nfs/dbraw/zinc/18/84/93/370188493.db2.gz CMKUKBMQGKOLLB-JTQLQIEISA-N 2 2 286.339 0.968 20 0 CCADLP COC1CC[NH+](Cc2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000630596773 370196881 /nfs/dbraw/zinc/19/68/81/370196881.db2.gz RJWOHBZPXXYYBP-ZDUSSCGKSA-N 2 2 279.388 0.813 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCO[C@@H](C)C2)CC[N@@H+]1C ZINC000630878938 370302981 /nfs/dbraw/zinc/30/29/81/370302981.db2.gz FDJKZTJOMFCKQT-MELADBBJSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCO[C@@H](C)C2)CC[N@H+]1C ZINC000630878938 370302985 /nfs/dbraw/zinc/30/29/85/370302985.db2.gz FDJKZTJOMFCKQT-MELADBBJSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+]2CCO[C@@H](C)C2)CC[NH+]1C ZINC000630878938 370302988 /nfs/dbraw/zinc/30/29/88/370302988.db2.gz FDJKZTJOMFCKQT-MELADBBJSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[N@H+]2CCO[C@@H](C)C2)CC[NH+]1C ZINC000630878938 370302991 /nfs/dbraw/zinc/30/29/91/370302991.db2.gz FDJKZTJOMFCKQT-MELADBBJSA-N 2 2 283.416 0.554 20 0 CCADLP Cc1nc(NC2CC[NH+](C[C@H]3CCOC3)CC2)nc(N)[nH+]1 ZINC000631123498 370392074 /nfs/dbraw/zinc/39/20/74/370392074.db2.gz UTRWZOLKEYNFLZ-LLVKDONJSA-N 2 2 292.387 0.505 20 0 CCADLP Cc1nc(N)nc(NC2CC[NH+](C[C@H]3CCOC3)CC2)[nH+]1 ZINC000631123498 370392078 /nfs/dbraw/zinc/39/20/78/370392078.db2.gz UTRWZOLKEYNFLZ-LLVKDONJSA-N 2 2 292.387 0.505 20 0 CCADLP C[C@@H](CO)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631080314 370377494 /nfs/dbraw/zinc/37/74/94/370377494.db2.gz WKPSFKCHZWYJMK-AWEZNQCLSA-N 2 2 294.395 0.868 20 0 CCADLP COc1cc(F)cc(OC)c1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000631111467 370386729 /nfs/dbraw/zinc/38/67/29/370386729.db2.gz KHIJVIRHLYXTFN-HNNXBMFYSA-N 2 2 298.358 0.999 20 0 CCADLP COc1cc(F)cc(OC)c1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000631111467 370386734 /nfs/dbraw/zinc/38/67/34/370386734.db2.gz KHIJVIRHLYXTFN-HNNXBMFYSA-N 2 2 298.358 0.999 20 0 CCADLP CC[C@H]1CCCC[N@@H+]1CCNc1nc(C)[nH+]c(N)n1 ZINC000631118068 370389936 /nfs/dbraw/zinc/38/99/36/370389936.db2.gz UJGQYSRFVHCICA-NSHDSACASA-N 2 2 264.377 0.691 20 0 CCADLP CC[C@H]1CCCC[N@H+]1CCNc1nc(C)[nH+]c(N)n1 ZINC000631118068 370389940 /nfs/dbraw/zinc/38/99/40/370389940.db2.gz UJGQYSRFVHCICA-NSHDSACASA-N 2 2 264.377 0.691 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CC[C@@H](O)C(F)F)n1C ZINC000631216315 370425298 /nfs/dbraw/zinc/42/52/98/370425298.db2.gz MVMPLOIRJMRWMA-SECBINFHSA-N 2 2 262.304 0.592 20 0 CCADLP Cc1nc(NCC2([NH+](C)C)Cc3ccccc3C2)nc(N)[nH+]1 ZINC000631128415 370394089 /nfs/dbraw/zinc/39/40/89/370394089.db2.gz MFCVUIPHULGSCM-UHFFFAOYSA-N 2 2 298.394 0.526 20 0 CCADLP Cc1nc(N[C@H]2C[N@H+](C(C)C)C[C@H]2C)nc(N)[nH+]1 ZINC000631160807 370406463 /nfs/dbraw/zinc/40/64/63/370406463.db2.gz LXICCLWKVURGIE-SCZZXKLOSA-N 2 2 250.350 0.733 20 0 CCADLP Cc1nc(N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)nc(N)[nH+]1 ZINC000631160807 370406469 /nfs/dbraw/zinc/40/64/69/370406469.db2.gz LXICCLWKVURGIE-SCZZXKLOSA-N 2 2 250.350 0.733 20 0 CCADLP CCC1([NH+](C)C)CCN(c2nc(C)[nH+]c(N)n2)CC1 ZINC000631494608 370567172 /nfs/dbraw/zinc/56/71/72/370567172.db2.gz QSNKNCFTWOQJFN-UHFFFAOYSA-N 2 2 264.377 0.903 20 0 CCADLP CCC1([NH+](C)C)CCN(c2nc(N)nc(C)[nH+]2)CC1 ZINC000631494608 370567176 /nfs/dbraw/zinc/56/71/76/370567176.db2.gz QSNKNCFTWOQJFN-UHFFFAOYSA-N 2 2 264.377 0.903 20 0 CCADLP O=c1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)nc(C2CC2)[nH]1 ZINC000656416954 412790369 /nfs/dbraw/zinc/79/03/69/412790369.db2.gz DAEHHCPCFHYAQM-QWRGUYRKSA-N 2 2 260.341 0.711 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)CC[N@@H+]1C ZINC000633320270 371486316 /nfs/dbraw/zinc/48/63/16/371486316.db2.gz PCADIQKNWVQRLM-LJISPDSOSA-N 2 2 295.427 0.696 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)CC[N@H+]1C ZINC000633320270 371486317 /nfs/dbraw/zinc/48/63/17/371486317.db2.gz PCADIQKNWVQRLM-LJISPDSOSA-N 2 2 295.427 0.696 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH+]1C ZINC000633320270 371486318 /nfs/dbraw/zinc/48/63/18/371486318.db2.gz PCADIQKNWVQRLM-LJISPDSOSA-N 2 2 295.427 0.696 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC[NH+]1C ZINC000633320270 371486320 /nfs/dbraw/zinc/48/63/20/371486320.db2.gz PCADIQKNWVQRLM-LJISPDSOSA-N 2 2 295.427 0.696 20 0 CCADLP CN1CC[NH+](CCn2cc([C@H]([NH3+])C(C)(C)C)nn2)CC1 ZINC000656437889 412792357 /nfs/dbraw/zinc/79/23/57/412792357.db2.gz NXQGRTQQFHXKPV-ZDUSSCGKSA-N 2 2 280.420 0.571 20 0 CCADLP CC[NH2+]CCCNC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000634114856 371897295 /nfs/dbraw/zinc/89/72/95/371897295.db2.gz BCADAGDCNZNSIR-ZDUSSCGKSA-N 2 2 286.420 0.396 20 0 CCADLP CC[NH2+]CCCNC(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000634114856 371897302 /nfs/dbraw/zinc/89/73/02/371897302.db2.gz BCADAGDCNZNSIR-ZDUSSCGKSA-N 2 2 286.420 0.396 20 0 CCADLP O[C@@H](C[NH2+][C@H]1CC[N@H+](CC2CC2)C1)CC1(O)CCOCC1 ZINC000634704230 372149195 /nfs/dbraw/zinc/14/91/95/372149195.db2.gz IGPHJMJTIAYPQA-LSDHHAIUSA-N 2 2 298.427 0.353 20 0 CCADLP O[C@@H](C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1)CC1(O)CCOCC1 ZINC000634704230 372149207 /nfs/dbraw/zinc/14/92/07/372149207.db2.gz IGPHJMJTIAYPQA-LSDHHAIUSA-N 2 2 298.427 0.353 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CC(COC)(C2CC2)C1 ZINC000634652550 372125839 /nfs/dbraw/zinc/12/58/39/372125839.db2.gz UDEWQTATZUJUBX-CYBMUJFWSA-N 2 2 256.390 0.657 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC(COC)(C2CC2)C1 ZINC000634652550 372125847 /nfs/dbraw/zinc/12/58/47/372125847.db2.gz UDEWQTATZUJUBX-CYBMUJFWSA-N 2 2 256.390 0.657 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCCCN(C)C1=O ZINC000634744185 372189424 /nfs/dbraw/zinc/18/94/24/372189424.db2.gz QCDRXARWMDCRNQ-QWHCGFSZSA-N 2 2 271.405 0.242 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCCCN(C)C1=O ZINC000634744185 372189430 /nfs/dbraw/zinc/18/94/30/372189430.db2.gz QCDRXARWMDCRNQ-QWHCGFSZSA-N 2 2 271.405 0.242 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000634744185 372189433 /nfs/dbraw/zinc/18/94/33/372189433.db2.gz QCDRXARWMDCRNQ-QWHCGFSZSA-N 2 2 271.405 0.242 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000634744185 372189439 /nfs/dbraw/zinc/18/94/39/372189439.db2.gz QCDRXARWMDCRNQ-QWHCGFSZSA-N 2 2 271.405 0.242 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCO[C@@H](C(F)F)CC2)CC1 ZINC000634751789 372198467 /nfs/dbraw/zinc/19/84/67/372198467.db2.gz XTUMFRWRKAJHEP-LLVKDONJSA-N 2 2 291.342 0.116 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCO[C@@H](C(F)F)CC2)CC1 ZINC000634751789 372198477 /nfs/dbraw/zinc/19/84/77/372198477.db2.gz XTUMFRWRKAJHEP-LLVKDONJSA-N 2 2 291.342 0.116 20 0 CCADLP c1nc(N2CCOCC2)cc(NCCC[NH2+]C2CC2)[nH+]1 ZINC000634811165 372255069 /nfs/dbraw/zinc/25/50/69/372255069.db2.gz WHXKUGFFNZZAMT-UHFFFAOYSA-N 2 2 277.372 0.867 20 0 CCADLP c1nc(NCCC[NH2+]C2CC2)cc(N2CCOCC2)[nH+]1 ZINC000634811165 372255072 /nfs/dbraw/zinc/25/50/72/372255072.db2.gz WHXKUGFFNZZAMT-UHFFFAOYSA-N 2 2 277.372 0.867 20 0 CCADLP c1nc(N[C@@H]2CC[NH2+]C23CCC3)c2c([nH+]1)NCCO2 ZINC000634812945 372256657 /nfs/dbraw/zinc/25/66/57/372256657.db2.gz VEZXEHXVWHNOLC-SECBINFHSA-N 2 2 261.329 0.977 20 0 CCADLP C[C@H](O)CNc1cc(N[C@H]2CCC[NH2+]CC2)nc[nH+]1 ZINC000634813805 372258524 /nfs/dbraw/zinc/25/85/24/372258524.db2.gz XWHNUZVEXZEPOJ-QWRGUYRKSA-N 2 2 265.361 0.823 20 0 CCADLP C[C@H](O)CNc1cc(N[C@H]2CCC[NH2+]CC2)[nH+]cn1 ZINC000634813805 372258532 /nfs/dbraw/zinc/25/85/32/372258532.db2.gz XWHNUZVEXZEPOJ-QWRGUYRKSA-N 2 2 265.361 0.823 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634959568 372311795 /nfs/dbraw/zinc/31/17/95/372311795.db2.gz VNJPEQRWFPPQBM-QWHCGFSZSA-N 2 2 269.389 0.356 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634959568 372311802 /nfs/dbraw/zinc/31/18/02/372311802.db2.gz VNJPEQRWFPPQBM-QWHCGFSZSA-N 2 2 269.389 0.356 20 0 CCADLP CCOCCO[C@H]1CC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634993015 372329611 /nfs/dbraw/zinc/32/96/11/372329611.db2.gz IXQVEJXQDDHTPI-MOKVOYLWSA-N 2 2 254.374 0.866 20 0 CCADLP CCOCCO[C@H]1CC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634993015 372329617 /nfs/dbraw/zinc/32/96/17/372329617.db2.gz IXQVEJXQDDHTPI-MOKVOYLWSA-N 2 2 254.374 0.866 20 0 CCADLP O=C(C[NH2+]CC12CC(C1)C[NH2+]2)NCC(F)(F)F ZINC000634995492 372330499 /nfs/dbraw/zinc/33/04/99/372330499.db2.gz GVVIJEZKCYELKW-UHFFFAOYSA-N 2 2 251.252 0.007 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635326476 372461600 /nfs/dbraw/zinc/46/16/00/372461600.db2.gz FDTUKSUFNQVYKJ-GMTAPVOTSA-N 2 2 259.313 0.915 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC[NH+]1C1CCCC1 ZINC000635500621 372565319 /nfs/dbraw/zinc/56/53/19/372565319.db2.gz HKPFWTJUAYNPSS-ZFWWWQNUSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC[NH+]1C1CCCC1 ZINC000635500621 372565321 /nfs/dbraw/zinc/56/53/21/372565321.db2.gz HKPFWTJUAYNPSS-ZFWWWQNUSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635500621 372565325 /nfs/dbraw/zinc/56/53/25/372565325.db2.gz HKPFWTJUAYNPSS-ZFWWWQNUSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635500621 372565329 /nfs/dbraw/zinc/56/53/29/372565329.db2.gz HKPFWTJUAYNPSS-ZFWWWQNUSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000635506878 372569798 /nfs/dbraw/zinc/56/97/98/372569798.db2.gz WRHUEDUTHBYMSZ-MELADBBJSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)[C@H](C)[NH+]1CCOCC1 ZINC000635506878 372569803 /nfs/dbraw/zinc/56/98/03/372569803.db2.gz WRHUEDUTHBYMSZ-MELADBBJSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)(CNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCOCC1 ZINC000635525473 372588380 /nfs/dbraw/zinc/58/83/80/372588380.db2.gz BOVNQAHNVQTVIR-BETUJISGSA-N 2 2 296.415 0.243 20 0 CCADLP COCC[NH+]1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635555837 372622572 /nfs/dbraw/zinc/62/25/72/372622572.db2.gz HZOBLFWLMJEPFH-UHFFFAOYSA-N 2 2 295.427 0.653 20 0 CCADLP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000635617936 372689971 /nfs/dbraw/zinc/68/99/71/372689971.db2.gz IXGZHMDASKVRRO-HUUCEWRRSA-N 2 2 295.427 0.651 20 0 CCADLP C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)C1 ZINC000635617936 372689976 /nfs/dbraw/zinc/68/99/76/372689976.db2.gz IXGZHMDASKVRRO-HUUCEWRRSA-N 2 2 295.427 0.651 20 0 CCADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)Cc1[nH]cc(CC)[nH+]1 ZINC000635663160 372738135 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CC[N@@H+]1CCN(C(=O)[C@@H](C)[NH+]2CCSCC2)[C@H](C)C1 ZINC000334220484 206211832 /nfs/dbraw/zinc/21/18/32/206211832.db2.gz RQQZQPXSWYNQDM-CHWSQXEVSA-N 2 2 285.457 0.976 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@@H](C)[NH+]2CCSCC2)[C@H](C)C1 ZINC000334220484 206211834 /nfs/dbraw/zinc/21/18/34/206211834.db2.gz RQQZQPXSWYNQDM-CHWSQXEVSA-N 2 2 285.457 0.976 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)NCCCC[NH+]1CCOCC1 ZINC000638066794 374611696 /nfs/dbraw/zinc/61/16/96/374611696.db2.gz MJEZYLSGLINAFC-UHFFFAOYSA-N 2 2 295.383 0.889 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638073172 374626781 /nfs/dbraw/zinc/62/67/81/374626781.db2.gz LXUWMRQFWBOJGU-WCQYABFASA-N 2 2 266.345 0.143 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000638088886 374648280 /nfs/dbraw/zinc/64/82/80/374648280.db2.gz RCFDZWMCZLFHKR-ZDUSSCGKSA-N 3 2 296.459 0.659 20 0 CCADLP CC(C)CC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCO[C@H](C)C1 ZINC000638089787 374649691 /nfs/dbraw/zinc/64/96/91/374649691.db2.gz DEENAMGTUSDPKD-CHWSQXEVSA-N 2 2 271.405 0.587 20 0 CCADLP CC(C)CC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCO[C@H](C)C1 ZINC000638089787 374649698 /nfs/dbraw/zinc/64/96/98/374649698.db2.gz DEENAMGTUSDPKD-CHWSQXEVSA-N 2 2 271.405 0.587 20 0 CCADLP Nc1nc(N)c(CN2CC[C@H](C[NH+]3CCCC3)C2)c[nH+]1 ZINC000638112052 374678716 /nfs/dbraw/zinc/67/87/16/374678716.db2.gz JFCCJMZVXBNTJW-LLVKDONJSA-N 2 2 276.388 0.219 20 0 CCADLP O=C(Cc1cccc2c1CC[NH2+]C2)NCc1[nH]cc[nH+]1 ZINC000638114715 374679902 /nfs/dbraw/zinc/67/99/02/374679902.db2.gz LORISQDJURMPOR-UHFFFAOYSA-N 2 2 270.336 0.914 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCC(F)(F)C[NH3+])CC2 ZINC000638173599 374758061 /nfs/dbraw/zinc/75/80/61/374758061.db2.gz APTVEICLIZXSPG-VIFPVBQESA-N 2 2 272.299 0.464 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@@H](C)C[NH3+])CC2 ZINC000638141367 374711416 /nfs/dbraw/zinc/71/14/16/374711416.db2.gz JDUWBBDYJQEHCB-GXSJLCMTSA-N 2 2 250.346 0.465 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000638152451 374722880 /nfs/dbraw/zinc/72/28/80/374722880.db2.gz FKHKUEDBLPCIID-UHFFFAOYSA-N 2 2 271.324 0.940 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC[C@@H]([NH3+])C1CC1)CC2 ZINC000638155310 374726725 /nfs/dbraw/zinc/72/67/25/374726725.db2.gz UMVPPABCBUPZCX-NWDGAFQWSA-N 2 2 262.357 0.607 20 0 CCADLP CCc1c[nH]c(CC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)[nH+]1 ZINC000638157070 374729991 /nfs/dbraw/zinc/72/99/91/374729991.db2.gz BESWVWQRPBKUAR-NXEZZACHSA-N 2 2 250.346 0.723 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)[nH+]1 ZINC000638227308 374814812 /nfs/dbraw/zinc/81/48/12/374814812.db2.gz PVJSHXCBTIKPMA-CYBMUJFWSA-N 2 2 291.399 0.021 20 0 CCADLP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)NCC[NH+](C)C ZINC000638227232 374815574 /nfs/dbraw/zinc/81/55/74/374815574.db2.gz OGMRNTMKPWLYCZ-AWEZNQCLSA-N 2 2 278.400 0.124 20 0 CCADLP COCCc1ncc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000638186666 374771208 /nfs/dbraw/zinc/77/12/08/374771208.db2.gz XGJJFJLLUOBWAD-GHMZBOCLSA-N 2 2 267.398 0.983 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@H](CC[NH3+])C(F)(F)F)[nH+]1 ZINC000638268729 374868382 /nfs/dbraw/zinc/86/83/82/374868382.db2.gz KRINEYVGGKIQIT-MRVPVSSYSA-N 2 2 278.278 0.911 20 0 CCADLP Cc1nc(N2CCN(C(=O)CCC3C[NH2+]C3)CC2)cc[nH+]1 ZINC000638287612 374895559 /nfs/dbraw/zinc/89/55/59/374895559.db2.gz YNVGIUZNCUSMON-UHFFFAOYSA-N 2 2 289.383 0.433 20 0 CCADLP CC[C@H](CNCc1c[nH+]c(N)nc1N)[NH+]1CCCC1 ZINC000638354365 374951037 /nfs/dbraw/zinc/95/10/37/374951037.db2.gz KSAVZYQRPSYLJW-LLVKDONJSA-N 2 2 264.377 0.266 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)NC(C)(C)CC[NH3+])CC2 ZINC000638355653 374953242 /nfs/dbraw/zinc/95/32/42/374953242.db2.gz PMGFMUBMDJRXSX-LLVKDONJSA-N 2 2 264.373 0.998 20 0 CCADLP CC[NH2+][C@H](C)C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000638426444 375024216 /nfs/dbraw/zinc/02/42/16/375024216.db2.gz RARIQODJNMQVMH-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP CCc1c[nH]c(CC(=O)N(C)[C@H](C[NH3+])C(F)(F)F)[nH+]1 ZINC000638433753 375034614 /nfs/dbraw/zinc/03/46/14/375034614.db2.gz BGHZSZXRTKMUQJ-MRVPVSSYSA-N 2 2 278.278 0.863 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000638454097 375057147 /nfs/dbraw/zinc/05/71/47/375057147.db2.gz JVLIEWGQRLPZNO-XQHKEYJVSA-N 2 2 253.390 0.818 20 0 CCADLP [NH3+][C@H](C(=O)NCC1([NH3+])CCOCC1)c1c(F)cccc1F ZINC000638539775 375127889 /nfs/dbraw/zinc/12/78/89/375127889.db2.gz JDWNTFMFYXEAJI-LBPRGKRZSA-N 2 2 299.321 0.589 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000638583636 375163953 /nfs/dbraw/zinc/16/39/53/375163953.db2.gz CYOSNHYXDDJOJM-LBPRGKRZSA-N 2 2 293.415 0.856 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000638612064 375194592 /nfs/dbraw/zinc/19/45/92/375194592.db2.gz SFLKBEJMGMCCPV-OLZOCXBDSA-N 2 2 263.341 0.133 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000638612064 375194598 /nfs/dbraw/zinc/19/45/98/375194598.db2.gz SFLKBEJMGMCCPV-OLZOCXBDSA-N 2 2 263.341 0.133 20 0 CCADLP CO[C@]1(C[NH2+]C[C@]2([NH+](C)C)CCSC2)CCOC1 ZINC000638721959 375320235 /nfs/dbraw/zinc/32/02/35/375320235.db2.gz PPHRNFKTOBVFDP-OLZOCXBDSA-N 2 2 274.430 0.819 20 0 CCADLP [NH3+]CCCOCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000638662200 375264597 /nfs/dbraw/zinc/26/45/97/375264597.db2.gz OQSPAOFSZBNMSN-AWEZNQCLSA-N 2 2 299.415 0.111 20 0 CCADLP [NH3+]CCCOCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000638662200 375264601 /nfs/dbraw/zinc/26/46/01/375264601.db2.gz OQSPAOFSZBNMSN-AWEZNQCLSA-N 2 2 299.415 0.111 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000638930355 375465723 /nfs/dbraw/zinc/46/57/23/375465723.db2.gz WFXVFRYRZZUQAL-KOLCDFICSA-N 2 2 275.343 0.912 20 0 CCADLP COC1CC[NH+](CC[NH2+]C[C@]2(OC)CCOC2)CC1 ZINC000638897736 375435337 /nfs/dbraw/zinc/43/53/37/375435337.db2.gz LDLLFDKWZVPBSW-CQSZACIVSA-N 2 2 272.389 0.492 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000639022348 375527559 /nfs/dbraw/zinc/52/75/59/375527559.db2.gz GUMHHOGXKURLRL-OCCSQVGLSA-N 3 2 290.411 0.430 20 0 CCADLP C[NH+](C)CCN(Cc1c[nH+]c(N)nc1N)C1CCCC1 ZINC000639061882 375555290 /nfs/dbraw/zinc/55/52/90/375555290.db2.gz RLDPSTGKXLCUNI-UHFFFAOYSA-N 2 2 278.404 0.608 20 0 CCADLP CO[C@]1(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)CCOC1 ZINC000639140815 375600037 /nfs/dbraw/zinc/60/00/37/375600037.db2.gz JGORFMIOMBMJCO-CVEARBPZSA-N 2 2 298.427 0.836 20 0 CCADLP CO[C@]1(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)CCOC1 ZINC000639140815 375600042 /nfs/dbraw/zinc/60/00/42/375600042.db2.gz JGORFMIOMBMJCO-CVEARBPZSA-N 2 2 298.427 0.836 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1c[nH+]c(N)nc1N ZINC000639160165 375611046 /nfs/dbraw/zinc/61/10/46/375611046.db2.gz AWRRNDLYJNAKSP-ZYHUDNBSSA-N 2 2 276.388 0.360 20 0 CCADLP CCc1nnc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)[nH]1 ZINC000639215936 375636765 /nfs/dbraw/zinc/63/67/65/375636765.db2.gz MDYFGHXSFWSSDL-UHFFFAOYSA-N 2 2 281.404 0.692 20 0 CCADLP C[NH2+]C[C@H]1CCCN(CC[N@@H+]2CCO[C@H](C)C2)C1 ZINC000574638242 335035841 /nfs/dbraw/zinc/03/58/41/335035841.db2.gz ZKLNTBGLMVJMLG-ZIAGYGMSSA-N 2 2 255.406 0.639 20 0 CCADLP C[NH2+]C[C@H]1CCCN(CC[N@H+]2CCO[C@H](C)C2)C1 ZINC000574638242 335035842 /nfs/dbraw/zinc/03/58/42/335035842.db2.gz ZKLNTBGLMVJMLG-ZIAGYGMSSA-N 2 2 255.406 0.639 20 0 CCADLP CO[C@H](C[NH2+][C@@H]1CCC[N@H+](CCCO)C1)[C@@H]1CCOC1 ZINC000639220043 375643168 /nfs/dbraw/zinc/64/31/68/375643168.db2.gz VSBQHAGDACLIBQ-RBSFLKMASA-N 2 2 286.416 0.474 20 0 CCADLP CO[C@H](C[NH2+][C@@H]1CCC[N@@H+](CCCO)C1)[C@@H]1CCOC1 ZINC000639220043 375643171 /nfs/dbraw/zinc/64/31/71/375643171.db2.gz VSBQHAGDACLIBQ-RBSFLKMASA-N 2 2 286.416 0.474 20 0 CCADLP CO[C@@]1(C[NH2+][C@@H]2CCC[N@H+](CCCO)C2)CCOC1 ZINC000639219566 375643184 /nfs/dbraw/zinc/64/31/84/375643184.db2.gz RVISVIAYBXBAAS-ZIAGYGMSSA-N 2 2 272.389 0.228 20 0 CCADLP CO[C@@]1(C[NH2+][C@@H]2CCC[N@@H+](CCCO)C2)CCOC1 ZINC000639219566 375643190 /nfs/dbraw/zinc/64/31/90/375643190.db2.gz RVISVIAYBXBAAS-ZIAGYGMSSA-N 2 2 272.389 0.228 20 0 CCADLP O=C1C[C@@H]([NH2+]C[C@H]2CCCC[N@H+]2CCO)CCCN1 ZINC000639219374 375643372 /nfs/dbraw/zinc/64/33/72/375643372.db2.gz QHZWIQXJINTPHU-QWHCGFSZSA-N 2 2 269.389 0.092 20 0 CCADLP O=C1C[C@@H]([NH2+]C[C@H]2CCCC[N@@H+]2CCO)CCCN1 ZINC000639219374 375643374 /nfs/dbraw/zinc/64/33/74/375643374.db2.gz QHZWIQXJINTPHU-QWHCGFSZSA-N 2 2 269.389 0.092 20 0 CCADLP CCCN(Cc1c[nH+]c(N)nc1N)[C@@H]1CC[N@H+](C)C1 ZINC000639297993 375709507 /nfs/dbraw/zinc/70/95/07/375709507.db2.gz HERQZCVPWXOWSA-LLVKDONJSA-N 2 2 264.377 0.218 20 0 CCADLP CCCN(Cc1c[nH+]c(N)nc1N)[C@@H]1CC[N@@H+](C)C1 ZINC000639297993 375709513 /nfs/dbraw/zinc/70/95/13/375709513.db2.gz HERQZCVPWXOWSA-LLVKDONJSA-N 2 2 264.377 0.218 20 0 CCADLP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000639357606 375757209 /nfs/dbraw/zinc/75/72/09/375757209.db2.gz PCJCZYXVAHHYQT-AVGNSLFASA-N 2 2 269.389 0.090 20 0 CCADLP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000639357606 375757211 /nfs/dbraw/zinc/75/72/11/375757211.db2.gz PCJCZYXVAHHYQT-AVGNSLFASA-N 2 2 269.389 0.090 20 0 CCADLP COCCCNC(=O)C[N@H+](C)CCc1c[nH+]cn1C ZINC000639449328 375785471 /nfs/dbraw/zinc/78/54/71/375785471.db2.gz XYBOSCLTUFNQPM-UHFFFAOYSA-N 2 2 268.361 0.047 20 0 CCADLP COCCCNC(=O)C[N@@H+](C)CCc1c[nH+]cn1C ZINC000639449328 375785475 /nfs/dbraw/zinc/78/54/75/375785475.db2.gz XYBOSCLTUFNQPM-UHFFFAOYSA-N 2 2 268.361 0.047 20 0 CCADLP CN(C)C(=O)NCC[N@@H+](C)CCc1c[nH+]cn1C ZINC000639558084 375835338 /nfs/dbraw/zinc/83/53/38/375835338.db2.gz WRSXKOSAACYHLF-UHFFFAOYSA-N 2 2 253.350 0.166 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@H]2CCc3ncnn32)C1 ZINC000639563869 375838941 /nfs/dbraw/zinc/83/89/41/375838941.db2.gz CBOVRPLNJUNZSO-NWDGAFQWSA-N 2 2 272.356 0.988 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]CCO[C@@H]1CC1(F)F)C1CC1 ZINC000656709508 412845127 /nfs/dbraw/zinc/84/51/27/412845127.db2.gz XBOXRLVORZNAIN-GHMZBOCLSA-N 2 2 264.316 0.455 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]CCO[C@@H]1CC1(F)F)C1CC1 ZINC000656709508 412845128 /nfs/dbraw/zinc/84/51/28/412845128.db2.gz XBOXRLVORZNAIN-GHMZBOCLSA-N 2 2 264.316 0.455 20 0 CCADLP C[N@H+]1CCN(CC[NH+]2CCOCC2)C[C@@H]1C(C)(C)C ZINC000639746926 375975204 /nfs/dbraw/zinc/97/52/04/375975204.db2.gz BYPNQUXJARAUKX-CQSZACIVSA-N 2 2 269.433 0.981 20 0 CCADLP CCCCNC(=O)[C@H](C)[NH+]1CCC([NH2+]CCOC)CC1 ZINC000568890597 291632805 /nfs/dbraw/zinc/63/28/05/291632805.db2.gz MQXSESGLTRDBMP-ZDUSSCGKSA-N 2 2 285.432 0.992 20 0 CCADLP CCN(CC)C(=O)C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639766528 375994584 /nfs/dbraw/zinc/99/45/84/375994584.db2.gz QCGWLWBQGFDACP-CQSZACIVSA-N 2 2 271.405 0.243 20 0 CCADLP CCN(CC)C(=O)C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639766528 375994588 /nfs/dbraw/zinc/99/45/88/375994588.db2.gz QCGWLWBQGFDACP-CQSZACIVSA-N 2 2 271.405 0.243 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCOCC(F)F)C1 ZINC000639767401 375997184 /nfs/dbraw/zinc/99/71/84/375997184.db2.gz QXQMTXVNTAIAGP-LBPRGKRZSA-N 2 2 266.332 0.657 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCOCC(F)F)C1 ZINC000639767401 375997191 /nfs/dbraw/zinc/99/71/91/375997191.db2.gz QXQMTXVNTAIAGP-LBPRGKRZSA-N 2 2 266.332 0.657 20 0 CCADLP COc1cc(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)ccn1 ZINC000639767288 375997533 /nfs/dbraw/zinc/99/75/33/375997533.db2.gz QKYGOZSTSFWKPY-OAHLLOKOSA-N 2 2 279.384 0.979 20 0 CCADLP COc1cc(C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)ccn1 ZINC000639767288 375997538 /nfs/dbraw/zinc/99/75/38/375997538.db2.gz QKYGOZSTSFWKPY-OAHLLOKOSA-N 2 2 279.384 0.979 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639767163 375998325 /nfs/dbraw/zinc/99/83/25/375998325.db2.gz SYYKSPQIARFELF-FZMZJTMJSA-N 2 2 269.389 0.042 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639767163 375998327 /nfs/dbraw/zinc/99/83/27/375998327.db2.gz SYYKSPQIARFELF-FZMZJTMJSA-N 2 2 269.389 0.042 20 0 CCADLP Cn1ccnc1[C@@H]([NH2+]CCn1cc[nH+]c1)C(C)(C)CO ZINC000639771581 376002678 /nfs/dbraw/zinc/00/26/78/376002678.db2.gz IDPGNHAILGGFMV-GFCCVEGCSA-N 2 2 277.372 0.966 20 0 CCADLP CC(C)Oc1cc[nH+]c(CN2CC[N@H+](C)C[C@H]2CO)c1 ZINC000639866521 376093271 /nfs/dbraw/zinc/09/32/71/376093271.db2.gz FXTMXDFMENFSQH-AWEZNQCLSA-N 2 2 279.384 0.977 20 0 CCADLP CC(C)Oc1cc[nH+]c(CN2CC[N@@H+](C)C[C@H]2CO)c1 ZINC000639866521 376093278 /nfs/dbraw/zinc/09/32/78/376093278.db2.gz FXTMXDFMENFSQH-AWEZNQCLSA-N 2 2 279.384 0.977 20 0 CCADLP CC(C)Oc1cc[nH+]c(CN2CC[N@H+](C)C[C@@H]2CO)c1 ZINC000639866523 376093753 /nfs/dbraw/zinc/09/37/53/376093753.db2.gz FXTMXDFMENFSQH-CQSZACIVSA-N 2 2 279.384 0.977 20 0 CCADLP CC(C)Oc1cc[nH+]c(CN2CC[N@@H+](C)C[C@@H]2CO)c1 ZINC000639866523 376093760 /nfs/dbraw/zinc/09/37/60/376093760.db2.gz FXTMXDFMENFSQH-CQSZACIVSA-N 2 2 279.384 0.977 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCC[C@H](O)C1 ZINC000640051783 376218385 /nfs/dbraw/zinc/21/83/85/376218385.db2.gz ZTHAUJZCMXRSFG-KGLIPLIRSA-N 2 2 283.416 0.243 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCC[C@H](O)C1 ZINC000640051783 376218390 /nfs/dbraw/zinc/21/83/90/376218390.db2.gz ZTHAUJZCMXRSFG-KGLIPLIRSA-N 2 2 283.416 0.243 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1C=CCCC1 ZINC000640058376 376222716 /nfs/dbraw/zinc/22/27/16/376222716.db2.gz MDNDAFYQQRCDOD-CYBMUJFWSA-N 2 2 251.374 0.801 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1C=CCCC1 ZINC000640058376 376222725 /nfs/dbraw/zinc/22/27/25/376222725.db2.gz MDNDAFYQQRCDOD-CYBMUJFWSA-N 2 2 251.374 0.801 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@H]1C(C)(C)C ZINC000640629195 376475145 /nfs/dbraw/zinc/47/51/45/376475145.db2.gz UDOUMFBDCYACHM-QWHCGFSZSA-N 2 2 283.416 0.506 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1C(C)(C)C ZINC000640629195 376475150 /nfs/dbraw/zinc/47/51/50/376475150.db2.gz UDOUMFBDCYACHM-QWHCGFSZSA-N 2 2 283.416 0.506 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)C1 ZINC000640629195 376475158 /nfs/dbraw/zinc/47/51/58/376475158.db2.gz UDOUMFBDCYACHM-QWHCGFSZSA-N 2 2 283.416 0.506 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)C1 ZINC000640629195 376475166 /nfs/dbraw/zinc/47/51/66/376475166.db2.gz UDOUMFBDCYACHM-QWHCGFSZSA-N 2 2 283.416 0.506 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CCO1 ZINC000640932004 376622553 /nfs/dbraw/zinc/62/25/53/376622553.db2.gz AEESISXOKLNGPO-BFHYXJOUSA-N 2 2 298.431 0.394 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CCO1 ZINC000640932004 376622558 /nfs/dbraw/zinc/62/25/58/376622558.db2.gz AEESISXOKLNGPO-BFHYXJOUSA-N 2 2 298.431 0.394 20 0 CCADLP COc1cc[nH+]c(Cn2cc(CN3CC[NH2+]CC3)nn2)c1 ZINC000641030752 376685933 /nfs/dbraw/zinc/68/59/33/376685933.db2.gz IQIDAHVACDFYFR-UHFFFAOYSA-N 2 2 288.355 0.135 20 0 CCADLP COCC[C@H]([NH3+])Cc1cn(Cc2cc(OC)cc[nH+]2)nn1 ZINC000641030797 376687053 /nfs/dbraw/zinc/68/70/53/376687053.db2.gz KOMAYWSURWTMEW-NSHDSACASA-N 2 2 291.355 0.636 20 0 CCADLP c1c(C[NH+]2CCCC2)nnn1CC[NH+]1CCOCC1 ZINC000641033541 376690729 /nfs/dbraw/zinc/69/07/29/376690729.db2.gz NUIZCDPWCPCCKO-UHFFFAOYSA-N 2 2 265.361 0.206 20 0 CCADLP CCc1[nH+]ccn1Cc1cn(Cc2c[nH+]cn2C)nn1 ZINC000641038235 376699852 /nfs/dbraw/zinc/69/98/52/376699852.db2.gz MWPLTGNNIGJKSL-UHFFFAOYSA-N 2 2 271.328 0.867 20 0 CCADLP COc1cc(C)[nH+]c(Cn2cc(C[N@H+](C)CCO)nn2)c1 ZINC000641154944 376816879 /nfs/dbraw/zinc/81/68/79/376816879.db2.gz OXQAUYGDPCTELQ-UHFFFAOYSA-N 2 2 291.355 0.463 20 0 CCADLP COc1cc(C)[nH+]c(Cn2cc(C[N@@H+](C)CCO)nn2)c1 ZINC000641154944 376816883 /nfs/dbraw/zinc/81/68/83/376816883.db2.gz OXQAUYGDPCTELQ-UHFFFAOYSA-N 2 2 291.355 0.463 20 0 CCADLP C[NH+](C)CC(C)(C)CNS(=O)(=O)CCn1cc[nH+]c1 ZINC000641253401 376946825 /nfs/dbraw/zinc/94/68/25/376946825.db2.gz XZSNWPBGZXBQCV-UHFFFAOYSA-N 2 2 288.417 0.390 20 0 CCADLP C[C@@H]([NH3+])CNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000641472847 377153668 /nfs/dbraw/zinc/15/36/68/377153668.db2.gz IVOPZJSYWHYSAB-LLVKDONJSA-N 2 2 266.345 0.454 20 0 CCADLP C[C@H]([NH3+])CNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000641471561 377154194 /nfs/dbraw/zinc/15/41/94/377154194.db2.gz GVRXSJPJVDGEBM-NSHDSACASA-N 2 2 282.413 0.923 20 0 CCADLP C[NH+](C)CCN1CCN(c2cc[nH+]cc2F)CC1=O ZINC000641650470 377363354 /nfs/dbraw/zinc/36/33/54/377363354.db2.gz QEKFZIRUMMBROY-UHFFFAOYSA-N 2 2 266.320 0.431 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000641749648 377437378 /nfs/dbraw/zinc/43/73/78/377437378.db2.gz WTUZQGHONRRRSW-UHFFFAOYSA-N 2 2 278.356 0.672 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000641749648 377437381 /nfs/dbraw/zinc/43/73/81/377437381.db2.gz WTUZQGHONRRRSW-UHFFFAOYSA-N 2 2 278.356 0.672 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCC(OCCC[NH3+])CC1 ZINC000641795874 377466381 /nfs/dbraw/zinc/46/63/81/377466381.db2.gz ARLYKXYCSYAOTG-UHFFFAOYSA-N 3 2 266.389 0.792 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000641800136 377469759 /nfs/dbraw/zinc/46/97/59/377469759.db2.gz WPDBORMBUKSPKX-CABCVRRESA-N 3 2 278.400 0.791 20 0 CCADLP FC(F)(F)c1ccnc(NCC[NH2+][C@@H]2CC[NH2+]C2)n1 ZINC000515139760 249121394 /nfs/dbraw/zinc/12/13/94/249121394.db2.gz YIAJVSKHOFJOJP-MRVPVSSYSA-N 2 2 275.278 0.859 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@@H](CO)[C@H]2CCCOC2)n1C ZINC000514598434 249092254 /nfs/dbraw/zinc/09/22/54/249092254.db2.gz UISCILGLUHYZDA-AAEUAGOBSA-N 2 2 282.388 0.363 20 0 CCADLP COCCCNC(=O)[C@@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000515308155 249127150 /nfs/dbraw/zinc/12/71/50/249127150.db2.gz HCSMUYMECBNWCF-GFCCVEGCSA-N 2 2 295.387 0.073 20 0 CCADLP CO[C@@H]1CC[C@H]([NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000516050326 249149261 /nfs/dbraw/zinc/14/92/61/249149261.db2.gz SLPIEKKCTKDHHX-AIEDFZFUSA-N 2 2 286.416 0.614 20 0 CCADLP CO[C@@H]1CC[C@H]([NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000516050326 249149262 /nfs/dbraw/zinc/14/92/62/249149262.db2.gz SLPIEKKCTKDHHX-AIEDFZFUSA-N 2 2 286.416 0.614 20 0 CCADLP CN1CC[C@H](C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1=O ZINC000515637236 249140821 /nfs/dbraw/zinc/14/08/21/249140821.db2.gz IMWPTJAUZNZHFB-CORIIIEPSA-N 2 2 281.400 0.211 20 0 CCADLP [NH3+]CC1(CC(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000516648030 249174441 /nfs/dbraw/zinc/17/44/41/249174441.db2.gz IJYVEKQEQYFKMZ-UHFFFAOYSA-N 2 2 250.346 0.909 20 0 CCADLP Cn1c2ccc(C[NH2+]C[C@@H]3C[NH2+]CCO3)cc2sc1=O ZINC000516957958 249193017 /nfs/dbraw/zinc/19/30/17/249193017.db2.gz LBMPZWRRCPHCGZ-NSHDSACASA-N 2 2 293.392 0.678 20 0 CCADLP Cn1c2cc(F)ccc2[nH+]c1N1CCO[C@H](C[NH3+])C1 ZINC000643027028 377693602 /nfs/dbraw/zinc/69/36/02/377693602.db2.gz PAWZIJGIBVJQHI-SNVBAGLBSA-N 2 2 264.304 0.876 20 0 CCADLP Cc1n[nH]c(C)c1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000574703711 335041597 /nfs/dbraw/zinc/04/15/97/335041597.db2.gz PJBOBPCQEOHXOS-UHFFFAOYSA-N 2 2 266.389 0.963 20 0 CCADLP C[N@@H+]1CCN(CCNC(=O)C[NH+]2CC(C)(C)C2)CC1(C)C ZINC000574767890 335046337 /nfs/dbraw/zinc/04/63/37/335046337.db2.gz GPYIBMOJUWMYTH-UHFFFAOYSA-N 2 2 296.459 0.470 20 0 CCADLP C[N@H+]1CCN(CCNC(=O)C[NH+]2CC(C)(C)C2)CC1(C)C ZINC000574767890 335046338 /nfs/dbraw/zinc/04/63/38/335046338.db2.gz GPYIBMOJUWMYTH-UHFFFAOYSA-N 2 2 296.459 0.470 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000571095355 291791026 /nfs/dbraw/zinc/79/10/26/291791026.db2.gz HUVRQEJGNQEIEP-CQSZACIVSA-N 2 2 282.363 0.313 20 0 CCADLP C[C@@H](CC(=O)NCC1([NH+]2CCOCC2)CC1)n1cc[nH+]c1 ZINC000571093943 291791058 /nfs/dbraw/zinc/79/10/58/291791058.db2.gz HECYGRKKTQIKCR-ZDUSSCGKSA-N 2 2 292.383 0.815 20 0 CCADLP C[C@@H]1CN(CC[NH2+]Cc2c[nH+]c3n2CCC3)CCO1 ZINC000657348636 412964037 /nfs/dbraw/zinc/96/40/37/412964037.db2.gz BZESIXBRECDFSH-GFCCVEGCSA-N 2 2 264.373 0.640 20 0 CCADLP Cc1nc2n(n1)C[C@H]([NH2+]Cc1c[nH+]c3n1CCC3)CC2 ZINC000657344012 412965497 /nfs/dbraw/zinc/96/54/97/412965497.db2.gz TYNPFLBFYCSGAA-LLVKDONJSA-N 2 2 272.356 0.834 20 0 CCADLP NC(=O)[C@@]1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCOC1 ZINC000571413870 291812853 /nfs/dbraw/zinc/81/28/53/291812853.db2.gz BCYHKUPASFIEQC-OAHLLOKOSA-N 2 2 286.335 0.606 20 0 CCADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CS(C)(=O)=O)C1 ZINC000246037046 285001076 /nfs/dbraw/zinc/00/10/76/285001076.db2.gz NACZPLKSCFHEES-NEPJUHHUSA-N 2 2 262.419 0.741 20 0 CCADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CS(C)(=O)=O)C1 ZINC000246037046 285001077 /nfs/dbraw/zinc/00/10/77/285001077.db2.gz NACZPLKSCFHEES-NEPJUHHUSA-N 2 2 262.419 0.741 20 0 CCADLP NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657372030 412973594 /nfs/dbraw/zinc/97/35/94/412973594.db2.gz ZUBVVMNZAAFOQB-GHMZBOCLSA-N 2 2 262.357 0.963 20 0 CCADLP CC[NH2+]CCCNC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000571896140 291844902 /nfs/dbraw/zinc/84/49/02/291844902.db2.gz YQWCCDZATIBUQT-CHWSQXEVSA-N 2 2 286.420 0.394 20 0 CCADLP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)CC1=O ZINC000657380188 412978264 /nfs/dbraw/zinc/97/82/64/412978264.db2.gz GYTGBOKZHFZZCT-WZRBSPASSA-N 2 2 274.368 0.928 20 0 CCADLP CCNC(=O)N1CC[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657400411 412981234 /nfs/dbraw/zinc/98/12/34/412981234.db2.gz YCFBCXDORDUFSH-LLVKDONJSA-N 2 2 277.372 0.723 20 0 CCADLP O=C1NCC[C@H]1[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000178308099 296376976 /nfs/dbraw/zinc/37/69/76/296376976.db2.gz VRKWEXDDUWOVKA-QWHCGFSZSA-N 2 2 251.374 0.825 20 0 CCADLP O=C1NCC[C@H]1[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000178308099 296376978 /nfs/dbraw/zinc/37/69/78/296376978.db2.gz VRKWEXDDUWOVKA-QWHCGFSZSA-N 2 2 251.374 0.825 20 0 CCADLP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000574853936 335052286 /nfs/dbraw/zinc/05/22/86/335052286.db2.gz ZYTNGZUMNXHOPM-CQSZACIVSA-N 2 2 294.399 0.842 20 0 CCADLP COCC[N@H+](C)CCCNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000298346727 285164849 /nfs/dbraw/zinc/16/48/49/285164849.db2.gz SOAFNZIJCQXQOL-GFCCVEGCSA-N 2 2 297.403 0.650 20 0 CCADLP COCC[N@@H+](C)CCCNc1cc(NC[C@@H](C)O)nc[nH+]1 ZINC000298346727 285164854 /nfs/dbraw/zinc/16/48/54/285164854.db2.gz SOAFNZIJCQXQOL-GFCCVEGCSA-N 2 2 297.403 0.650 20 0 CCADLP COCC[N@H+](C)CCCNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000298346727 285164860 /nfs/dbraw/zinc/16/48/60/285164860.db2.gz SOAFNZIJCQXQOL-GFCCVEGCSA-N 2 2 297.403 0.650 20 0 CCADLP COCC[N@@H+](C)CCCNc1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000298346727 285164865 /nfs/dbraw/zinc/16/48/65/285164865.db2.gz SOAFNZIJCQXQOL-GFCCVEGCSA-N 2 2 297.403 0.650 20 0 CCADLP CC(C)(C)n1nnc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000657468833 413000131 /nfs/dbraw/zinc/00/01/31/413000131.db2.gz CWKFMNDDPAWPTF-SECBINFHSA-N 2 2 275.360 0.798 20 0 CCADLP CC[N@@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000368478630 285207050 /nfs/dbraw/zinc/20/70/50/285207050.db2.gz PIJLHXQJXAIIMJ-UHFFFAOYSA-N 2 2 283.416 0.651 20 0 CCADLP CC[N@H+]1CCCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000368478630 285207054 /nfs/dbraw/zinc/20/70/54/285207054.db2.gz PIJLHXQJXAIIMJ-UHFFFAOYSA-N 2 2 283.416 0.651 20 0 CCADLP C[C@@H](NC(=O)NCC1([NH3+])CCC1)[C@H](C)[NH+]1CCOCC1 ZINC000417517419 533155566 /nfs/dbraw/zinc/15/55/66/533155566.db2.gz IXUMFWHTGYCYJU-NEPJUHHUSA-N 2 2 284.404 0.276 20 0 CCADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2nc(N)nc(N(C)C)n2)C[C@@H]1C[NH3+] ZINC000397322327 285236336 /nfs/dbraw/zinc/23/63/36/285236336.db2.gz TXLAEVGUSQVQFT-MXWKQRLJSA-N 2 2 293.419 0.155 20 0 CCADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc(N)nc(N(C)C)n2)C[C@@H]1C[NH3+] ZINC000397322327 285236341 /nfs/dbraw/zinc/23/63/41/285236341.db2.gz TXLAEVGUSQVQFT-MXWKQRLJSA-N 2 2 293.419 0.155 20 0 CCADLP CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657606244 413035882 /nfs/dbraw/zinc/03/58/82/413035882.db2.gz SFJJSQLCOKYJGY-FVCCEPFGSA-N 2 2 288.413 0.015 20 0 CCADLP CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657606244 413035886 /nfs/dbraw/zinc/03/58/86/413035886.db2.gz SFJJSQLCOKYJGY-FVCCEPFGSA-N 2 2 288.413 0.015 20 0 CCADLP C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000020052888 388795058 /nfs/dbraw/zinc/79/50/58/388795058.db2.gz ATMZXHQGZSSCTR-OLZOCXBDSA-N 2 2 253.390 0.929 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[NH+]1CCC([NH3+])CC1 ZINC000036754786 388843943 /nfs/dbraw/zinc/84/39/43/388843943.db2.gz GNJVYUSMRWLFMO-UHFFFAOYSA-N 2 2 256.350 0.034 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000186826925 388854572 /nfs/dbraw/zinc/85/45/72/388854572.db2.gz RZPHHOLWQCUKLJ-GFCCVEGCSA-N 2 2 292.383 0.286 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000287261007 388849788 /nfs/dbraw/zinc/84/97/88/388849788.db2.gz RUBCHKSQHZHXOP-CMPLNLGQSA-N 2 2 267.377 0.089 20 0 CCADLP Cc1[nH+]ccn1CCCCN1CC[N@H+](CCO)[C@H](C)C1 ZINC000187658975 388889333 /nfs/dbraw/zinc/88/93/33/388889333.db2.gz RNXONBMEIMOMMT-CQSZACIVSA-N 2 2 280.416 0.970 20 0 CCADLP Cc1[nH+]ccn1CCCCN1CC[N@@H+](CCO)[C@H](C)C1 ZINC000187658975 388889335 /nfs/dbraw/zinc/88/93/35/388889335.db2.gz RNXONBMEIMOMMT-CQSZACIVSA-N 2 2 280.416 0.970 20 0 CCADLP C[C@@H]1C[N@@H+](CCCNC(=O)c2coc(C[NH3+])c2)C[C@H](C)O1 ZINC000188052719 388911532 /nfs/dbraw/zinc/91/15/32/388911532.db2.gz UIBXAABFRHQEAI-TXEJJXNPSA-N 2 2 295.383 0.967 20 0 CCADLP C[C@@H]1C[N@H+](CCCNC(=O)c2coc(C[NH3+])c2)C[C@H](C)O1 ZINC000188052719 388911545 /nfs/dbraw/zinc/91/15/45/388911545.db2.gz UIBXAABFRHQEAI-TXEJJXNPSA-N 2 2 295.383 0.967 20 0 CCADLP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC[NH2+]1 ZINC000188397034 388926989 /nfs/dbraw/zinc/92/69/89/388926989.db2.gz BJSLZBSAWQHPPV-LLVKDONJSA-N 2 2 271.324 0.701 20 0 CCADLP C[NH+]1CCC(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000188463829 388929502 /nfs/dbraw/zinc/92/95/02/388929502.db2.gz BEGQJXNQTIZCPK-OAHLLOKOSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000188463829 388929506 /nfs/dbraw/zinc/92/95/06/388929506.db2.gz BEGQJXNQTIZCPK-OAHLLOKOSA-N 2 2 295.427 0.840 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCOC1 ZINC000066942831 388946088 /nfs/dbraw/zinc/94/60/88/388946088.db2.gz ZXQRELALMHBSCE-CYBMUJFWSA-N 2 2 283.416 0.507 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCOC1 ZINC000066942831 388946091 /nfs/dbraw/zinc/94/60/91/388946091.db2.gz ZXQRELALMHBSCE-CYBMUJFWSA-N 2 2 283.416 0.507 20 0 CCADLP C[C@@H]1CSCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000190441291 388990873 /nfs/dbraw/zinc/99/08/73/388990873.db2.gz AUXMUNMDSBEADY-LBPRGKRZSA-N 2 2 271.430 0.445 20 0 CCADLP C[C@@H]1CSCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000190441291 388990874 /nfs/dbraw/zinc/99/08/74/388990874.db2.gz AUXMUNMDSBEADY-LBPRGKRZSA-N 2 2 271.430 0.445 20 0 CCADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NC(=O)NC2CC2)C1 ZINC000072858641 388971957 /nfs/dbraw/zinc/97/19/57/388971957.db2.gz QXDZAISOJDOCTG-NSHDSACASA-N 2 2 282.388 0.248 20 0 CCADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NC(=O)NC2CC2)C1 ZINC000072858641 388971959 /nfs/dbraw/zinc/97/19/59/388971959.db2.gz QXDZAISOJDOCTG-NSHDSACASA-N 2 2 282.388 0.248 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000072858641 388971962 /nfs/dbraw/zinc/97/19/62/388971962.db2.gz QXDZAISOJDOCTG-NSHDSACASA-N 2 2 282.388 0.248 20 0 CCADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC2CC2)C1 ZINC000072858641 388971963 /nfs/dbraw/zinc/97/19/63/388971963.db2.gz QXDZAISOJDOCTG-NSHDSACASA-N 2 2 282.388 0.248 20 0 CCADLP C[C@H]1COCC[C@@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000192624393 389046964 /nfs/dbraw/zinc/04/69/64/389046964.db2.gz YVQGRLJCMVBFQA-ZFWWWQNUSA-N 2 2 297.443 0.801 20 0 CCADLP C[NH+](C)CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)C1CCCC1 ZINC000355344862 389063507 /nfs/dbraw/zinc/06/35/07/389063507.db2.gz QKLXSWZABQTQPR-AWEZNQCLSA-N 2 2 283.416 0.650 20 0 CCADLP C[NH+](C)CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C1CCCC1 ZINC000355344862 389063510 /nfs/dbraw/zinc/06/35/10/389063510.db2.gz QKLXSWZABQTQPR-AWEZNQCLSA-N 2 2 283.416 0.650 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)NCC[NH+]1CCC1)c1ccco1 ZINC000337626489 389064939 /nfs/dbraw/zinc/06/49/39/389064939.db2.gz VNYSBXDBUNBSQA-LBPRGKRZSA-N 2 2 280.372 0.887 20 0 CCADLP C[C@H]1CN(c2cc(NCC3CC3)[nH+]cn2)CC[N@@H+]1CCO ZINC000302419753 389069734 /nfs/dbraw/zinc/06/97/34/389069734.db2.gz MWNXXVQCBNAGCD-LBPRGKRZSA-N 2 2 291.399 0.801 20 0 CCADLP C[C@H]1CN(c2cc(NCC3CC3)[nH+]cn2)CC[N@H+]1CCO ZINC000302419753 389069737 /nfs/dbraw/zinc/06/97/37/389069737.db2.gz MWNXXVQCBNAGCD-LBPRGKRZSA-N 2 2 291.399 0.801 20 0 CCADLP CC(=O)N1CCC[C@H](C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000355416126 389074896 /nfs/dbraw/zinc/07/48/96/389074896.db2.gz DEGGIJWSAWGPKL-BNOWGMLFSA-N 2 2 253.390 0.785 20 0 CCADLP CC(=O)N1CCC[C@H](C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000355416126 389074897 /nfs/dbraw/zinc/07/48/97/389074897.db2.gz DEGGIJWSAWGPKL-BNOWGMLFSA-N 2 2 253.390 0.785 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)C(C)(C)[NH+]1CCOCC1)C1CC1 ZINC000338160919 389081096 /nfs/dbraw/zinc/08/10/96/389081096.db2.gz ZLQXBLXPTUCDSJ-ZDUSSCGKSA-N 2 2 283.416 0.554 20 0 CCADLP CC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000338187214 389087148 /nfs/dbraw/zinc/08/71/48/389087148.db2.gz PVXNJHISWZEZTJ-AWEZNQCLSA-N 2 2 297.443 0.945 20 0 CCADLP CC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000338187214 389087152 /nfs/dbraw/zinc/08/71/52/389087152.db2.gz PVXNJHISWZEZTJ-AWEZNQCLSA-N 2 2 297.443 0.945 20 0 CCADLP Cc1nc(N2CC[NH+](CCc3cn[nH]c3)CC2)cc[nH+]1 ZINC000298606912 389034665 /nfs/dbraw/zinc/03/46/65/389034665.db2.gz ZSDULYOYTCQUAS-UHFFFAOYSA-N 2 2 272.356 0.873 20 0 CCADLP COCC1(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)CCC1 ZINC000310847575 389098596 /nfs/dbraw/zinc/09/85/96/389098596.db2.gz OZPIOWFTZDMJAM-ZDUSSCGKSA-N 2 2 255.406 0.639 20 0 CCADLP COCC1(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)CCC1 ZINC000310847575 389098598 /nfs/dbraw/zinc/09/85/98/389098598.db2.gz OZPIOWFTZDMJAM-ZDUSSCGKSA-N 2 2 255.406 0.639 20 0 CCADLP COC(=O)[C@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338259986 389099528 /nfs/dbraw/zinc/09/95/28/389099528.db2.gz AGAJUHHAXBDQPS-CYBMUJFWSA-N 2 2 297.399 0.178 20 0 CCADLP COC(=O)[C@H]1CCCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000338259986 389099531 /nfs/dbraw/zinc/09/95/31/389099531.db2.gz AGAJUHHAXBDQPS-CYBMUJFWSA-N 2 2 297.399 0.178 20 0 CCADLP CC[N@@H+]1C[C@H](C)N(CCC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000338276508 389103149 /nfs/dbraw/zinc/10/31/49/389103149.db2.gz ASGNVDRWHQSYEF-CABCVRRESA-N 2 2 296.459 0.565 20 0 CCADLP CC[N@H+]1C[C@H](C)N(CCC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000338276508 389103151 /nfs/dbraw/zinc/10/31/51/389103151.db2.gz ASGNVDRWHQSYEF-CABCVRRESA-N 2 2 296.459 0.565 20 0 CCADLP CCN1C[C@H](C)[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000338276508 389103153 /nfs/dbraw/zinc/10/31/53/389103153.db2.gz ASGNVDRWHQSYEF-CABCVRRESA-N 2 2 296.459 0.565 20 0 CCADLP CCN1C[C@H](C)[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000338276508 389103156 /nfs/dbraw/zinc/10/31/56/389103156.db2.gz ASGNVDRWHQSYEF-CABCVRRESA-N 2 2 296.459 0.565 20 0 CCADLP C[C@@H]1CCC[C@H](NC(=O)C[N@H+](C)C[C@H](O)C[NH3+])[C@H]1C ZINC000311911821 389105762 /nfs/dbraw/zinc/10/57/62/389105762.db2.gz RGHPFJDXDXILAT-XQHKEYJVSA-N 2 2 271.405 0.179 20 0 CCADLP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)C[C@H](O)C[NH3+])[C@H]1C ZINC000311911821 389105767 /nfs/dbraw/zinc/10/57/67/389105767.db2.gz RGHPFJDXDXILAT-XQHKEYJVSA-N 2 2 271.405 0.179 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@H](C)CC[NH+](C)C ZINC000338290018 389107049 /nfs/dbraw/zinc/10/70/49/389107049.db2.gz PWBGBANWVWDJGX-QWHCGFSZSA-N 2 2 286.420 0.347 20 0 CCADLP C[N@@H+]1CCO[C@H]2CN(C(=O)C3CC[NH+](C4CC4)CC3)C[C@@H]21 ZINC000338824834 389116692 /nfs/dbraw/zinc/11/66/92/389116692.db2.gz QYGUOVKJIOMKPA-GJZGRUSLSA-N 2 2 293.411 0.402 20 0 CCADLP C[N@H+]1CCO[C@H]2CN(C(=O)C3CC[NH+](C4CC4)CC3)C[C@@H]21 ZINC000338824834 389116695 /nfs/dbraw/zinc/11/66/95/389116695.db2.gz QYGUOVKJIOMKPA-GJZGRUSLSA-N 2 2 293.411 0.402 20 0 CCADLP CC[C@@](C)(C[NH2+]CC(=O)N1CC[NH+](C)CC1)OC ZINC000322675870 389122850 /nfs/dbraw/zinc/12/28/50/389122850.db2.gz GYZJFFPIXGUPIE-ZDUSSCGKSA-N 2 2 257.378 0.165 20 0 CCADLP CN1CC[C@@H]([N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000116280324 389133034 /nfs/dbraw/zinc/13/30/34/389133034.db2.gz SYWGOHDBNKZRBY-ZIAGYGMSSA-N 2 2 281.400 0.261 20 0 CCADLP CN1CC[C@@H]([N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000116280324 389133035 /nfs/dbraw/zinc/13/30/35/389133035.db2.gz SYWGOHDBNKZRBY-ZIAGYGMSSA-N 2 2 281.400 0.261 20 0 CCADLP COCC[NH+]1CCC(NCc2[nH+]cc(C)n2C)CC1 ZINC000341017155 389182201 /nfs/dbraw/zinc/18/22/01/389182201.db2.gz IEWZPWRVWMLPGO-UHFFFAOYSA-N 2 2 266.389 0.929 20 0 CCADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NC(=O)NCC)C1 ZINC000245414836 389205671 /nfs/dbraw/zinc/20/56/71/389205671.db2.gz CQJJAPZCMWTLBN-OLZOCXBDSA-N 2 2 298.431 0.884 20 0 CCADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NC(=O)NCC)C1 ZINC000245414836 389205673 /nfs/dbraw/zinc/20/56/73/389205673.db2.gz CQJJAPZCMWTLBN-OLZOCXBDSA-N 2 2 298.431 0.884 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)NCC)C1 ZINC000245414836 389205676 /nfs/dbraw/zinc/20/56/76/389205676.db2.gz CQJJAPZCMWTLBN-OLZOCXBDSA-N 2 2 298.431 0.884 20 0 CCADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)NC(=O)NCC)C1 ZINC000245414836 389205677 /nfs/dbraw/zinc/20/56/77/389205677.db2.gz CQJJAPZCMWTLBN-OLZOCXBDSA-N 2 2 298.431 0.884 20 0 CCADLP COC(=O)CNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129585756 389190115 /nfs/dbraw/zinc/19/01/15/389190115.db2.gz OFAUVPKSJQZZFI-RYUDHWBXSA-N 2 2 294.355 0.055 20 0 CCADLP COC(=O)CNC(=O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129585756 389190118 /nfs/dbraw/zinc/19/01/18/389190118.db2.gz OFAUVPKSJQZZFI-RYUDHWBXSA-N 2 2 294.355 0.055 20 0 CCADLP O=C(C[NH2+]C[C@@H]1CCCO1)N1CC[NH+](C2CC2)CC1 ZINC000237890549 389196511 /nfs/dbraw/zinc/19/65/11/389196511.db2.gz MLWYADCRCHNVNX-ZDUSSCGKSA-N 2 2 267.373 0.062 20 0 CCADLP Cc1nc(N(C)C)nc(NC[C@H]2CCc3[nH+]ccn3C2)[nH+]1 ZINC000329802342 389203133 /nfs/dbraw/zinc/20/31/33/389203133.db2.gz KHLLSYHELQHUFB-LLVKDONJSA-N 2 2 287.371 0.539 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H](CO)C1CCOCC1 ZINC000360806292 389204065 /nfs/dbraw/zinc/20/40/65/389204065.db2.gz MYRBVZLIESRPLO-KCPJHIHWSA-N 2 2 268.401 0.846 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H](CO)C1CCOCC1 ZINC000360806292 389204066 /nfs/dbraw/zinc/20/40/66/389204066.db2.gz MYRBVZLIESRPLO-KCPJHIHWSA-N 2 2 268.401 0.846 20 0 CCADLP CCCCNC(=O)CC[N@@H+]1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000359035176 389165997 /nfs/dbraw/zinc/16/59/97/389165997.db2.gz AFWSZVZDQMDTOP-QWHCGFSZSA-N 2 2 271.405 0.731 20 0 CCADLP CCCCNC(=O)CC[N@H+]1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000359035176 389165998 /nfs/dbraw/zinc/16/59/98/389165998.db2.gz AFWSZVZDQMDTOP-QWHCGFSZSA-N 2 2 271.405 0.731 20 0 CCADLP COCC[N@@H+]1CC[C@H](NCc2[nH+]cc(C)n2C)C1 ZINC000341003123 389178427 /nfs/dbraw/zinc/17/84/27/389178427.db2.gz GGLXXOKUJFBURC-LBPRGKRZSA-N 2 2 252.362 0.539 20 0 CCADLP COCC[N@H+]1CC[C@H](NCc2[nH+]cc(C)n2C)C1 ZINC000341003123 389178430 /nfs/dbraw/zinc/17/84/30/389178430.db2.gz GGLXXOKUJFBURC-LBPRGKRZSA-N 2 2 252.362 0.539 20 0 CCADLP CC1(C)CC[C@@H]1[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000342722034 389248487 /nfs/dbraw/zinc/24/84/87/389248487.db2.gz DKNOXPZFVMYRRY-KGLIPLIRSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000364414516 389262846 /nfs/dbraw/zinc/26/28/46/389262846.db2.gz CZHBWPHFQFAPHT-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000130900551 389209206 /nfs/dbraw/zinc/20/92/06/389209206.db2.gz LYVIXAAAWZNZRP-MCIONIFRSA-N 2 2 285.432 0.927 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000130900551 389209211 /nfs/dbraw/zinc/20/92/11/389209211.db2.gz LYVIXAAAWZNZRP-MCIONIFRSA-N 2 2 285.432 0.927 20 0 CCADLP CC(C)[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000361420893 389215685 /nfs/dbraw/zinc/21/56/85/389215685.db2.gz PYZKISRESUBBDK-CYBMUJFWSA-N 2 2 269.389 0.260 20 0 CCADLP CC(C)[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000361420893 389215688 /nfs/dbraw/zinc/21/56/88/389215688.db2.gz PYZKISRESUBBDK-CYBMUJFWSA-N 2 2 269.389 0.260 20 0 CCADLP C[N@H+](CC[C@@H]1CCCO1)CC(=O)N1CC[NH+](C)CC1 ZINC000342594552 389226952 /nfs/dbraw/zinc/22/69/52/389226952.db2.gz QHVJZXGJLSGEJI-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP C[N@@H+](CC[C@@H]1CCCO1)CC(=O)N1CC[NH+](C)CC1 ZINC000342594552 389226953 /nfs/dbraw/zinc/22/69/53/389226953.db2.gz QHVJZXGJLSGEJI-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP C[N@@H+]1CC[C@@H](CNC(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000264330158 389321713 /nfs/dbraw/zinc/32/17/13/389321713.db2.gz ZYEHAIYOGXOQLX-LBPRGKRZSA-N 2 2 272.352 0.945 20 0 CCADLP C[N@H+]1CC[C@@H](CNC(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000264330158 389321717 /nfs/dbraw/zinc/32/17/17/389321717.db2.gz ZYEHAIYOGXOQLX-LBPRGKRZSA-N 2 2 272.352 0.945 20 0 CCADLP C[C@@]1(C[N@@H+]2CCC[C@H](S(C)(=O)=O)C2)CC[NH2+]C1 ZINC000261543648 389271242 /nfs/dbraw/zinc/27/12/42/389271242.db2.gz DDHXSJATNFGDNP-NWDGAFQWSA-N 2 2 260.403 0.495 20 0 CCADLP C[C@@]1(C[N@H+]2CCC[C@H](S(C)(=O)=O)C2)CC[NH2+]C1 ZINC000261543648 389271246 /nfs/dbraw/zinc/27/12/46/389271246.db2.gz DDHXSJATNFGDNP-NWDGAFQWSA-N 2 2 260.403 0.495 20 0 CCADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)NCC(F)(F)F)C[C@H]12 ZINC000261567932 389272272 /nfs/dbraw/zinc/27/22/72/389272272.db2.gz IWYAXORVDMIGLR-XHNCKOQMSA-N 2 2 265.279 0.334 20 0 CCADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)NCC(F)(F)F)C[C@H]12 ZINC000261567932 389272275 /nfs/dbraw/zinc/27/22/75/389272275.db2.gz IWYAXORVDMIGLR-XHNCKOQMSA-N 2 2 265.279 0.334 20 0 CCADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)NCC(F)(F)F)C[C@H]12 ZINC000261567930 389272283 /nfs/dbraw/zinc/27/22/83/389272283.db2.gz IWYAXORVDMIGLR-HRDYMLBCSA-N 2 2 265.279 0.334 20 0 CCADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)NCC(F)(F)F)C[C@H]12 ZINC000261567930 389272285 /nfs/dbraw/zinc/27/22/85/389272285.db2.gz IWYAXORVDMIGLR-HRDYMLBCSA-N 2 2 265.279 0.334 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261708215 389275202 /nfs/dbraw/zinc/27/52/02/389275202.db2.gz JBNBHAOGSPDSJJ-GHMZBOCLSA-N 2 2 282.388 0.152 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261708215 389275207 /nfs/dbraw/zinc/27/52/07/389275207.db2.gz JBNBHAOGSPDSJJ-GHMZBOCLSA-N 2 2 282.388 0.152 20 0 CCADLP CCOC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343883336 389275256 /nfs/dbraw/zinc/27/52/56/389275256.db2.gz ARNALPUTBSNCQA-KKUMJFAQSA-N 2 2 297.443 0.896 20 0 CCADLP CN(CCC[N@H+](C)Cc1ccn(C)n1)CC[NH+](C)C ZINC000344066458 389277538 /nfs/dbraw/zinc/27/75/38/389277538.db2.gz PCGAGMQKHADYBF-UHFFFAOYSA-N 2 2 267.421 0.735 20 0 CCADLP CN(CCC[N@@H+](C)Cc1ccn(C)n1)CC[NH+](C)C ZINC000344066458 389277541 /nfs/dbraw/zinc/27/75/41/389277541.db2.gz PCGAGMQKHADYBF-UHFFFAOYSA-N 2 2 267.421 0.735 20 0 CCADLP CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262098596 389281241 /nfs/dbraw/zinc/28/12/41/389281241.db2.gz VKAWPQCUBDBNGU-OLZOCXBDSA-N 2 2 289.445 0.388 20 0 CCADLP CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000262098596 389281244 /nfs/dbraw/zinc/28/12/44/389281244.db2.gz VKAWPQCUBDBNGU-OLZOCXBDSA-N 2 2 289.445 0.388 20 0 CCADLP CCO[C@H](C)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000344749792 389284058 /nfs/dbraw/zinc/28/40/58/389284058.db2.gz UBKCHXSFFBYEIT-CYBMUJFWSA-N 2 2 285.432 0.896 20 0 CCADLP CCO[C@H](C)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000344749792 389284061 /nfs/dbraw/zinc/28/40/61/389284061.db2.gz UBKCHXSFFBYEIT-CYBMUJFWSA-N 2 2 285.432 0.896 20 0 CCADLP COCC[NH2+]CCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000152247888 389286022 /nfs/dbraw/zinc/28/60/22/389286022.db2.gz SGMYVBQOWQVVMC-UHFFFAOYSA-N 2 2 288.351 0.838 20 0 CCADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263125121 389297869 /nfs/dbraw/zinc/29/78/69/389297869.db2.gz BEQUJZCLUMVLBS-MNOVXSKESA-N 2 2 291.342 0.211 20 0 CCADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263125121 389297870 /nfs/dbraw/zinc/29/78/70/389297870.db2.gz BEQUJZCLUMVLBS-MNOVXSKESA-N 2 2 291.342 0.211 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cocn3)CC2)CC1 ZINC000264153179 389309194 /nfs/dbraw/zinc/30/91/94/389309194.db2.gz HFLGOIHHCMPRDF-UHFFFAOYSA-N 2 2 292.383 0.963 20 0 CCADLP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000369973119 389402743 /nfs/dbraw/zinc/40/27/43/389402743.db2.gz JZHUVNMYHMEOMT-GFCCVEGCSA-N 2 2 276.384 0.998 20 0 CCADLP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000369973119 389402745 /nfs/dbraw/zinc/40/27/45/389402745.db2.gz JZHUVNMYHMEOMT-GFCCVEGCSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)C[NH+]1CCN(C)CC1 ZINC000264721103 389349302 /nfs/dbraw/zinc/34/93/02/389349302.db2.gz CRYIBWOCQSPESC-CQSZACIVSA-N 2 2 293.415 0.273 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H]1CC[C@H](C(N)=O)CC1 ZINC000421364176 389360010 /nfs/dbraw/zinc/36/00/10/389360010.db2.gz RKWXRGGZGIMVGR-ZDEQEGDKSA-N 2 2 253.390 0.818 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H]1CC[C@H](C(N)=O)CC1 ZINC000421364176 389360013 /nfs/dbraw/zinc/36/00/13/389360013.db2.gz RKWXRGGZGIMVGR-ZDEQEGDKSA-N 2 2 253.390 0.818 20 0 CCADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC000348002825 389361533 /nfs/dbraw/zinc/36/15/33/389361533.db2.gz KOMRDNVUBJCCCU-UONOGXRCSA-N 2 2 293.411 0.546 20 0 CCADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC000348002825 389361535 /nfs/dbraw/zinc/36/15/35/389361535.db2.gz KOMRDNVUBJCCCU-UONOGXRCSA-N 2 2 293.411 0.546 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H](O)Cc1ccccc1 ZINC000422732694 389461398 /nfs/dbraw/zinc/46/13/98/389461398.db2.gz AHIDLHTYPYRCMV-FVQBIDKESA-N 2 2 278.396 0.947 20 0 CCADLP C[C@]1(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CCOC1 ZINC000422735390 389462761 /nfs/dbraw/zinc/46/27/61/389462761.db2.gz UPGQQBTXCKTYDB-MELADBBJSA-N 2 2 254.374 0.770 20 0 CCADLP C[NH+]1CCC(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000422742814 389463837 /nfs/dbraw/zinc/46/38/37/389463837.db2.gz QQAJOOBQTUOSRR-HUUCEWRRSA-N 3 2 267.417 0.685 20 0 CCADLP CO[C@@H](C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C1CC1 ZINC000350164597 389493680 /nfs/dbraw/zinc/49/36/80/389493680.db2.gz ROUHJPAOHUYIFB-CQSZACIVSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000422744835 389465399 /nfs/dbraw/zinc/46/53/99/389465399.db2.gz UGEROVGUGVYXEZ-KFWWJZLASA-N 3 2 296.459 0.694 20 0 CCADLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000422744835 389465401 /nfs/dbraw/zinc/46/54/01/389465401.db2.gz UGEROVGUGVYXEZ-KFWWJZLASA-N 3 2 296.459 0.694 20 0 CCADLP C[N@@H+]1CCC[C@]2(CC[NH+]([C@H]3CCCNC3=O)C2)C1 ZINC000334324000 389466288 /nfs/dbraw/zinc/46/62/88/389466288.db2.gz KBYLYRFPLJNYPO-JSGCOSHPSA-N 2 2 251.374 0.683 20 0 CCADLP C[N@H+]1CCC[C@]2(CC[NH+]([C@H]3CCCNC3=O)C2)C1 ZINC000334324000 389466293 /nfs/dbraw/zinc/46/62/93/389466293.db2.gz KBYLYRFPLJNYPO-JSGCOSHPSA-N 2 2 251.374 0.683 20 0 CCADLP C[NH+]1CCC[C@]2(CC[N@@H+]([C@H]3CCCNC3=O)C2)C1 ZINC000334324000 389466297 /nfs/dbraw/zinc/46/62/97/389466297.db2.gz KBYLYRFPLJNYPO-JSGCOSHPSA-N 2 2 251.374 0.683 20 0 CCADLP C[NH+]1CCC[C@]2(CC[N@H+]([C@H]3CCCNC3=O)C2)C1 ZINC000334324000 389466303 /nfs/dbraw/zinc/46/63/03/389466303.db2.gz KBYLYRFPLJNYPO-JSGCOSHPSA-N 2 2 251.374 0.683 20 0 CCADLP C[C@@H]1C[C@H]([NH+](C)CCCS(N)(=O)=O)CC[N@@H+]1C ZINC000172850143 389494349 /nfs/dbraw/zinc/49/43/49/389494349.db2.gz VAKRVCGCLOVCEU-GHMZBOCLSA-N 2 2 263.407 0.080 20 0 CCADLP C[C@@H]1C[C@H]([NH+](C)CCCS(N)(=O)=O)CC[N@H+]1C ZINC000172850143 389494352 /nfs/dbraw/zinc/49/43/52/389494352.db2.gz VAKRVCGCLOVCEU-GHMZBOCLSA-N 2 2 263.407 0.080 20 0 CCADLP C[C@@H]1C[C@H]([N@H+](C)CCCS(N)(=O)=O)CC[NH+]1C ZINC000172850143 389494356 /nfs/dbraw/zinc/49/43/56/389494356.db2.gz VAKRVCGCLOVCEU-GHMZBOCLSA-N 2 2 263.407 0.080 20 0 CCADLP C[C@@H]1C[C@H]([N@@H+](C)CCCS(N)(=O)=O)CC[NH+]1C ZINC000172850143 389494358 /nfs/dbraw/zinc/49/43/58/389494358.db2.gz VAKRVCGCLOVCEU-GHMZBOCLSA-N 2 2 263.407 0.080 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1NCC[NH+]1CCCCCC1 ZINC000422808812 389479696 /nfs/dbraw/zinc/47/96/96/389479696.db2.gz ORHYONGRBQGHPM-KBPBESRZSA-N 2 2 283.416 0.746 20 0 CCADLP CC(C)[C@H](C[NH2+][C@H]1C[NH2+]CC[C@H]1C)N1CCOCC1 ZINC000422813264 389480481 /nfs/dbraw/zinc/48/04/81/389480481.db2.gz ZEUNKVIFEILVII-ILXRZTDVSA-N 2 2 269.433 0.931 20 0 CCADLP CC(C)[C@H](CN[C@H]1C[NH2+]CC[C@H]1C)[NH+]1CCOCC1 ZINC000422813264 389480484 /nfs/dbraw/zinc/48/04/84/389480484.db2.gz ZEUNKVIFEILVII-ILXRZTDVSA-N 2 2 269.433 0.931 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000422843840 389489643 /nfs/dbraw/zinc/48/96/43/389489643.db2.gz JTTFVRFQNJDPHA-BFHYXJOUSA-N 2 2 283.416 0.683 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000422843840 389489647 /nfs/dbraw/zinc/48/96/47/389489647.db2.gz JTTFVRFQNJDPHA-BFHYXJOUSA-N 2 2 283.416 0.683 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CN1C1CC1 ZINC000422848666 389491050 /nfs/dbraw/zinc/49/10/50/389491050.db2.gz BCJNSMUTHHVCJL-XTBFLFJDSA-N 2 2 279.428 0.968 20 0 CCADLP CC(C)[C@H](C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1)[NH+](C)C ZINC000349696874 389421404 /nfs/dbraw/zinc/42/14/04/389421404.db2.gz WBPAWTBBBCBBAL-CQSZACIVSA-N 2 2 293.415 0.640 20 0 CCADLP CC[NH+]1CCN(CCC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000422852782 389491689 /nfs/dbraw/zinc/49/16/89/389491689.db2.gz BHLDZEGGGKCWCU-GJZGRUSLSA-N 3 2 268.449 0.744 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCC[NH+]1CCC(C)CC1 ZINC000422852753 389491803 /nfs/dbraw/zinc/49/18/03/389491803.db2.gz BFFFSBLNRMOOIO-UONOGXRCSA-N 2 2 283.416 0.602 20 0 CCADLP CC[NH+](CC)CCCNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000349803557 389438464 /nfs/dbraw/zinc/43/84/64/389438464.db2.gz SNYGCLGNHPXIND-CQSZACIVSA-N 2 2 299.463 0.263 20 0 CCADLP CC[NH+](CC)CCCNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000349803557 389438468 /nfs/dbraw/zinc/43/84/68/389438468.db2.gz SNYGCLGNHPXIND-CQSZACIVSA-N 2 2 299.463 0.263 20 0 CCADLP COCC[C@H]1CCCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000372087680 389443028 /nfs/dbraw/zinc/44/30/28/389443028.db2.gz FLXYSQLRRJDQKP-OAHLLOKOSA-N 2 2 297.443 0.899 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000422855361 389493006 /nfs/dbraw/zinc/49/30/06/389493006.db2.gz CKHCKBPKMMHUBG-QWHCGFSZSA-N 2 2 269.389 0.341 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000422855361 389493007 /nfs/dbraw/zinc/49/30/07/389493007.db2.gz CKHCKBPKMMHUBG-QWHCGFSZSA-N 2 2 269.389 0.341 20 0 CCADLP FC(F)(F)COCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422928398 389507078 /nfs/dbraw/zinc/50/70/78/389507078.db2.gz KIUWYBSSQJUCJG-MNOVXSKESA-N 2 2 282.306 0.922 20 0 CCADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000422961597 389511201 /nfs/dbraw/zinc/51/12/01/389511201.db2.gz ZKSCSGTWLWTEOF-YUTCNCBUSA-N 2 2 261.369 0.765 20 0 CCADLP COC(=O)[C@H]1CN(c2cc[nH+]c(N(C)C)n2)CC[N@H+](C)C1 ZINC000413496132 389522227 /nfs/dbraw/zinc/52/22/27/389522227.db2.gz KBTDGNHSAFUCHH-LLVKDONJSA-N 2 2 293.371 0.084 20 0 CCADLP COC(=O)[C@H]1CN(c2cc[nH+]c(N(C)C)n2)CC[N@@H+](C)C1 ZINC000413496132 389522230 /nfs/dbraw/zinc/52/22/30/389522230.db2.gz KBTDGNHSAFUCHH-LLVKDONJSA-N 2 2 293.371 0.084 20 0 CCADLP C[C@H]([NH2+]C[C@H]1CC[C@H](C(=O)N(C)C)O1)[C@@H]1CCCC[NH2+]1 ZINC000423019228 389522679 /nfs/dbraw/zinc/52/26/79/389522679.db2.gz UTHBXZYBCVRSEL-RFQIPJPRSA-N 2 2 283.416 0.742 20 0 CCADLP COC(=O)[C@@H](C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174715176 389528581 /nfs/dbraw/zinc/52/85/81/389528581.db2.gz DNHPBSPBMVZMAG-GFCCVEGCSA-N 2 2 257.378 0.117 20 0 CCADLP COC(=O)[C@@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174715176 389528583 /nfs/dbraw/zinc/52/85/83/389528583.db2.gz DNHPBSPBMVZMAG-GFCCVEGCSA-N 2 2 257.378 0.117 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000423093024 389534332 /nfs/dbraw/zinc/53/43/32/389534332.db2.gz FHKHNPIVEPNEAL-WUCCLRPBSA-N 2 2 295.427 0.887 20 0 CCADLP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000423093024 389534335 /nfs/dbraw/zinc/53/43/35/389534335.db2.gz FHKHNPIVEPNEAL-WUCCLRPBSA-N 2 2 295.427 0.887 20 0 CCADLP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)[C@H]1CCC[NH2+]1 ZINC000423093724 389534378 /nfs/dbraw/zinc/53/43/78/389534378.db2.gz AERWDTBNDPNJNU-UONOGXRCSA-N 3 2 268.449 0.743 20 0 CCADLP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@H]1CCC[NH2+]1 ZINC000423093724 389534382 /nfs/dbraw/zinc/53/43/82/389534382.db2.gz AERWDTBNDPNJNU-UONOGXRCSA-N 3 2 268.449 0.743 20 0 CCADLP COc1ncccc1CC[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000423143535 389542137 /nfs/dbraw/zinc/54/21/37/389542137.db2.gz XCLQPYHBAXXAAP-OCCSQVGLSA-N 2 2 279.384 0.989 20 0 CCADLP CCC[C@H](C)C(=O)NCC[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000423138196 389542296 /nfs/dbraw/zinc/54/22/96/389542296.db2.gz XJVCOEPNWFJCEP-MJBXVCDLSA-N 2 2 285.432 0.895 20 0 CCADLP OCCC[N@@H+]1CCC[C@H](N[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000423149158 389544130 /nfs/dbraw/zinc/54/41/30/389544130.db2.gz XGWWWTJLSQGEER-HRCADAONSA-N 2 2 297.443 0.190 20 0 CCADLP OCCC[N@H+]1CCC[C@H](N[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000423149158 389544132 /nfs/dbraw/zinc/54/41/32/389544132.db2.gz XGWWWTJLSQGEER-HRCADAONSA-N 2 2 297.443 0.190 20 0 CCADLP OCCCN1CCC[C@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000423149158 389544134 /nfs/dbraw/zinc/54/41/34/389544134.db2.gz XGWWWTJLSQGEER-HRCADAONSA-N 2 2 297.443 0.190 20 0 CCADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)N2CCNC2=O)C1 ZINC000350808088 389545594 /nfs/dbraw/zinc/54/55/94/389545594.db2.gz WZWGNBCRGPBBEU-ZDUSSCGKSA-N 2 2 294.399 0.202 20 0 CCADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC(=O)N2CCNC2=O)C1 ZINC000350808088 389545597 /nfs/dbraw/zinc/54/55/97/389545597.db2.gz WZWGNBCRGPBBEU-ZDUSSCGKSA-N 2 2 294.399 0.202 20 0 CCADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000350808088 389545600 /nfs/dbraw/zinc/54/56/00/389545600.db2.gz WZWGNBCRGPBBEU-ZDUSSCGKSA-N 2 2 294.399 0.202 20 0 CCADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000350808088 389545604 /nfs/dbraw/zinc/54/56/04/389545604.db2.gz WZWGNBCRGPBBEU-ZDUSSCGKSA-N 2 2 294.399 0.202 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000423157333 389546205 /nfs/dbraw/zinc/54/62/05/389546205.db2.gz MOXRTOJTAXTXSO-WOPDTQHZSA-N 2 2 277.434 0.434 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1NCC[N@H+]1CCCC1(C)C ZINC000423170335 389547807 /nfs/dbraw/zinc/54/78/07/389547807.db2.gz XTXGBPQWZKEBFQ-OLZOCXBDSA-N 2 2 283.416 0.744 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423178924 389548943 /nfs/dbraw/zinc/54/89/43/389548943.db2.gz LHIBUYZWXMQFTA-HIFRSBDPSA-N 3 2 266.433 0.354 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423178924 389548950 /nfs/dbraw/zinc/54/89/50/389548950.db2.gz LHIBUYZWXMQFTA-HIFRSBDPSA-N 3 2 266.433 0.354 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CC[C@@H]2CCOC2)CC1 ZINC000176254943 389555728 /nfs/dbraw/zinc/55/57/28/389555728.db2.gz MQWKGEAJICTRSD-CQSZACIVSA-N 2 2 297.443 0.945 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@H]([NH3+])C1CCC1 ZINC000423321340 389564844 /nfs/dbraw/zinc/56/48/44/389564844.db2.gz HHWVVJQADARRMP-GFCCVEGCSA-N 2 2 262.357 0.891 20 0 CCADLP CC1(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC[NH2+]CC1 ZINC000423323532 389565396 /nfs/dbraw/zinc/56/53/96/389565396.db2.gz IADHNJABOHEETP-KGLIPLIRSA-N 3 2 267.417 0.733 20 0 CCADLP C[C@H](CNC(=O)CCc1[nH]cc[nH+]1)[N@H+](C)C1CC1 ZINC000279361718 389567308 /nfs/dbraw/zinc/56/73/08/389567308.db2.gz GEATTWKPLODPMC-SNVBAGLBSA-N 2 2 250.346 0.941 20 0 CCADLP C[C@H](CNC(=O)CCc1[nH]cc[nH+]1)[N@@H+](C)C1CC1 ZINC000279361718 389567312 /nfs/dbraw/zinc/56/73/12/389567312.db2.gz GEATTWKPLODPMC-SNVBAGLBSA-N 2 2 250.346 0.941 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000422866049 389496296 /nfs/dbraw/zinc/49/62/96/389496296.db2.gz POTDVBYKURUSLW-ZQDZILKHSA-N 2 2 297.443 0.990 20 0 CCADLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)[C@@H]1CCC[NH2+]1 ZINC000422890227 389500288 /nfs/dbraw/zinc/50/02/88/389500288.db2.gz ROWDTFAUEQAFAU-HZSPNIEDSA-N 3 2 282.432 0.446 20 0 CCADLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)[C@@H]1CCC[NH2+]1 ZINC000422890227 389500290 /nfs/dbraw/zinc/50/02/90/389500290.db2.gz ROWDTFAUEQAFAU-HZSPNIEDSA-N 3 2 282.432 0.446 20 0 CCADLP Cc1cc(N2CC[NH+]([C@H]3CCS(=O)(=O)C3)CC2)cc[nH+]1 ZINC000274318989 389502792 /nfs/dbraw/zinc/50/27/92/389502792.db2.gz CISWVEVZWCZSCV-AWEZNQCLSA-N 2 2 295.408 0.699 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCNC(=O)c1ccccc1 ZINC000422914614 389504928 /nfs/dbraw/zinc/50/49/28/389504928.db2.gz VAMQHVFQQYRKNI-UKRRQHHQSA-N 2 2 291.395 0.773 20 0 CCADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000422914701 389505027 /nfs/dbraw/zinc/50/50/27/389505027.db2.gz VONSIAWGXSFZTB-KGLIPLIRSA-N 3 2 255.406 0.829 20 0 CCADLP Cc1nc(N(C)CC[N@H+](C)C2CC2)nc(N(C)C)[nH+]1 ZINC000351547929 389611262 /nfs/dbraw/zinc/61/12/62/389611262.db2.gz NFVSMAJBEQZILA-UHFFFAOYSA-N 2 2 264.377 0.776 20 0 CCADLP Cc1nc(N(C)CC[N@@H+](C)C2CC2)nc(N(C)C)[nH+]1 ZINC000351547929 389611265 /nfs/dbraw/zinc/61/12/65/389611265.db2.gz NFVSMAJBEQZILA-UHFFFAOYSA-N 2 2 264.377 0.776 20 0 CCADLP C[C@@H](C(=O)N(C)CC1CC[NH+](C)CC1)[NH+]1CCN(C)CC1 ZINC000351570586 389617171 /nfs/dbraw/zinc/61/71/71/389617171.db2.gz YMUVCOVCSZHQLT-AWEZNQCLSA-N 2 2 296.459 0.423 20 0 CCADLP CCc1ncc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cn1 ZINC000414452623 389617300 /nfs/dbraw/zinc/61/73/00/389617300.db2.gz AXNNAUMOOHKDIQ-CQSZACIVSA-N 2 2 278.400 0.975 20 0 CCADLP CCc1ncc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cn1 ZINC000414452623 389617302 /nfs/dbraw/zinc/61/73/02/389617302.db2.gz AXNNAUMOOHKDIQ-CQSZACIVSA-N 2 2 278.400 0.975 20 0 CCADLP CC[C@@]1(CO)CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351604962 389629560 /nfs/dbraw/zinc/62/95/60/389629560.db2.gz GRVOPUOKKVECDS-LSDHHAIUSA-N 2 2 270.417 0.926 20 0 CCADLP CC[C@@]1(CO)CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351604962 389629567 /nfs/dbraw/zinc/62/95/67/389629567.db2.gz GRVOPUOKKVECDS-LSDHHAIUSA-N 2 2 270.417 0.926 20 0 CCADLP CC[C@@]1(CO)CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000351604962 389629569 /nfs/dbraw/zinc/62/95/69/389629569.db2.gz GRVOPUOKKVECDS-LSDHHAIUSA-N 2 2 270.417 0.926 20 0 CCADLP CC[C@@]1(CO)CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351604962 389629574 /nfs/dbraw/zinc/62/95/74/389629574.db2.gz GRVOPUOKKVECDS-LSDHHAIUSA-N 2 2 270.417 0.926 20 0 CCADLP C([C@@H]1CC[N@H+](CC2CC[NH2+]CC2)C1)[NH+]1CCOCC1 ZINC000178981920 389631824 /nfs/dbraw/zinc/63/18/24/389631824.db2.gz XUILKZGIPLOTSQ-HNNXBMFYSA-N 3 2 267.417 0.640 20 0 CCADLP C([C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)C1)[NH+]1CCOCC1 ZINC000178981920 389631828 /nfs/dbraw/zinc/63/18/28/389631828.db2.gz XUILKZGIPLOTSQ-HNNXBMFYSA-N 3 2 267.417 0.640 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000414755988 389635133 /nfs/dbraw/zinc/63/51/33/389635133.db2.gz IPIDCVLRLGUQEP-WUHRBBMRSA-N 2 2 253.390 0.946 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000414755988 389635140 /nfs/dbraw/zinc/63/51/40/389635140.db2.gz IPIDCVLRLGUQEP-WUHRBBMRSA-N 2 2 253.390 0.946 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]([NH3+])C2CCC2)CCO1 ZINC000423369543 389575430 /nfs/dbraw/zinc/57/54/30/389575430.db2.gz FBIDYEZJBHECKJ-LBPRGKRZSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H](CS(C)(=O)=O)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423382446 389576034 /nfs/dbraw/zinc/57/60/34/389576034.db2.gz IOGCPFWAUUOVQE-GHMZBOCLSA-N 2 2 262.419 0.787 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)NCC(=O)OC ZINC000177309617 389579147 /nfs/dbraw/zinc/57/91/47/389579147.db2.gz ATMVUDLGMZQJNS-OLZOCXBDSA-N 2 2 297.399 0.224 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)NCC(=O)OC ZINC000177309617 389579154 /nfs/dbraw/zinc/57/91/54/389579154.db2.gz ATMVUDLGMZQJNS-OLZOCXBDSA-N 2 2 297.399 0.224 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)NCC(=O)OC ZINC000177309617 389579158 /nfs/dbraw/zinc/57/91/58/389579158.db2.gz ATMVUDLGMZQJNS-OLZOCXBDSA-N 2 2 297.399 0.224 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)NCC(=O)OC ZINC000177309617 389579163 /nfs/dbraw/zinc/57/91/63/389579163.db2.gz ATMVUDLGMZQJNS-OLZOCXBDSA-N 2 2 297.399 0.224 20 0 CCADLP C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425373214 389645449 /nfs/dbraw/zinc/64/54/49/389645449.db2.gz UWVGIAKKRCAYDX-ZYHUDNBSSA-N 2 2 252.362 0.831 20 0 CCADLP C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425373214 389645450 /nfs/dbraw/zinc/64/54/50/389645450.db2.gz UWVGIAKKRCAYDX-ZYHUDNBSSA-N 2 2 252.362 0.831 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000423457153 389589950 /nfs/dbraw/zinc/58/99/50/389589950.db2.gz FNMYJQJGTAKOAP-NFAWXSAZSA-N 2 2 295.427 0.826 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000423457153 389589953 /nfs/dbraw/zinc/58/99/53/389589953.db2.gz FNMYJQJGTAKOAP-NFAWXSAZSA-N 2 2 295.427 0.826 20 0 CCADLP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)CO2 ZINC000423507169 389596746 /nfs/dbraw/zinc/59/67/46/389596746.db2.gz HTEGPKRAGKVJHB-KBPBESRZSA-N 2 2 291.395 0.492 20 0 CCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000351505708 389598165 /nfs/dbraw/zinc/59/81/65/389598165.db2.gz BZRKYOSRQQGAQY-CABCVRRESA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[NH+]3CCCC[C@@H]3C2)C1 ZINC000351505708 389598174 /nfs/dbraw/zinc/59/81/74/389598174.db2.gz BZRKYOSRQQGAQY-CABCVRRESA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)[NH+]1CCO[C@H](C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)C1 ZINC000351505708 389598176 /nfs/dbraw/zinc/59/81/76/389598176.db2.gz BZRKYOSRQQGAQY-CABCVRRESA-N 2 2 295.427 0.792 20 0 CCADLP CC(C)[NH+]1CCO[C@H](C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)C1 ZINC000351505708 389598179 /nfs/dbraw/zinc/59/81/79/389598179.db2.gz BZRKYOSRQQGAQY-CABCVRRESA-N 2 2 295.427 0.792 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423646202 389604000 /nfs/dbraw/zinc/60/40/00/389604000.db2.gz UDSVTGPPZJEMCG-QLFBSQMISA-N 2 2 295.427 0.555 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423646202 389604004 /nfs/dbraw/zinc/60/40/04/389604004.db2.gz UDSVTGPPZJEMCG-QLFBSQMISA-N 2 2 295.427 0.555 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000423721094 389606347 /nfs/dbraw/zinc/60/63/47/389606347.db2.gz BLORZOQFSFSOQB-XGUBFFRZSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@@H]2COCC[NH2+]2)C1 ZINC000423721094 389606349 /nfs/dbraw/zinc/60/63/49/389606349.db2.gz BLORZOQFSFSOQB-XGUBFFRZSA-N 2 2 295.427 0.839 20 0 CCADLP COC[C@]1(CO)CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425374269 389646689 /nfs/dbraw/zinc/64/66/89/389646689.db2.gz WOWFBTJFIMETBD-CQSZACIVSA-N 2 2 282.388 0.317 20 0 CCADLP COC[C@]1(CO)CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425374269 389646692 /nfs/dbraw/zinc/64/66/92/389646692.db2.gz WOWFBTJFIMETBD-CQSZACIVSA-N 2 2 282.388 0.317 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415976334 389708621 /nfs/dbraw/zinc/70/86/21/389708621.db2.gz NCBNAGGVPSWSAJ-LBPRGKRZSA-N 2 2 292.383 0.988 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415976334 389708623 /nfs/dbraw/zinc/70/86/23/389708623.db2.gz NCBNAGGVPSWSAJ-LBPRGKRZSA-N 2 2 292.383 0.988 20 0 CCADLP O=S1(=O)CC[C@@H]([N@H+](CCCn2cc[nH+]c2)C2CC2)C1 ZINC000182898829 389720273 /nfs/dbraw/zinc/72/02/73/389720273.db2.gz RZLPBZLHVKFJLJ-CYBMUJFWSA-N 2 2 283.397 0.925 20 0 CCADLP O=S1(=O)CC[C@@H]([N@@H+](CCCn2cc[nH+]c2)C2CC2)C1 ZINC000182898829 389720276 /nfs/dbraw/zinc/72/02/76/389720276.db2.gz RZLPBZLHVKFJLJ-CYBMUJFWSA-N 2 2 283.397 0.925 20 0 CCADLP COc1cc(C[NH2+]C[C@H]2C[NH2+]CCN2C)ccc1C ZINC000414976080 389650497 /nfs/dbraw/zinc/65/04/97/389650497.db2.gz NJFMFQNKLXVZQZ-CQSZACIVSA-N 2 2 263.385 0.997 20 0 CCADLP CCOCCO[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351710450 389663335 /nfs/dbraw/zinc/66/33/35/389663335.db2.gz QSQLPYTUMLXPCR-LSDHHAIUSA-N 2 2 286.416 0.569 20 0 CCADLP CCOCCO[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351710450 389663338 /nfs/dbraw/zinc/66/33/38/389663338.db2.gz QSQLPYTUMLXPCR-LSDHHAIUSA-N 2 2 286.416 0.569 20 0 CCADLP CCOCCO[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000351710450 389663340 /nfs/dbraw/zinc/66/33/40/389663340.db2.gz QSQLPYTUMLXPCR-LSDHHAIUSA-N 2 2 286.416 0.569 20 0 CCADLP CCOCCO[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351710450 389663345 /nfs/dbraw/zinc/66/33/45/389663345.db2.gz QSQLPYTUMLXPCR-LSDHHAIUSA-N 2 2 286.416 0.569 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCC[NH+](C)C1 ZINC000180507430 389671775 /nfs/dbraw/zinc/67/17/75/389671775.db2.gz AGWGIHFZMXAERR-AWEZNQCLSA-N 3 2 282.432 0.034 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCC[NH+](C)C1 ZINC000180507430 389671780 /nfs/dbraw/zinc/67/17/80/389671780.db2.gz AGWGIHFZMXAERR-AWEZNQCLSA-N 3 2 282.432 0.034 20 0 CCADLP C[NH+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCC[N@H+](C)C1 ZINC000180507430 389671783 /nfs/dbraw/zinc/67/17/83/389671783.db2.gz AGWGIHFZMXAERR-AWEZNQCLSA-N 3 2 282.432 0.034 20 0 CCADLP C[NH+](CC(=O)N1CC[NH+](C)CC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000180507430 389671786 /nfs/dbraw/zinc/67/17/86/389671786.db2.gz AGWGIHFZMXAERR-AWEZNQCLSA-N 3 2 282.432 0.034 20 0 CCADLP C[C@H](CS(C)(=O)=O)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000183077947 389723549 /nfs/dbraw/zinc/72/35/49/389723549.db2.gz QAHDUCGSAJRVJK-UTUOFQBUSA-N 2 2 262.419 0.882 20 0 CCADLP Cc1cc(C[N@@H+](C)C2CC[NH+](CCO)CC2)ncn1 ZINC000428228409 389686865 /nfs/dbraw/zinc/68/68/65/389686865.db2.gz ZVWXKZLERURUJZ-UHFFFAOYSA-N 2 2 264.373 0.674 20 0 CCADLP Cc1cc(C[N@H+](C)C2CC[NH+](CCO)CC2)ncn1 ZINC000428228409 389686869 /nfs/dbraw/zinc/68/68/69/389686869.db2.gz ZVWXKZLERURUJZ-UHFFFAOYSA-N 2 2 264.373 0.674 20 0 CCADLP COc1coc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1=O ZINC000351857467 389700226 /nfs/dbraw/zinc/70/02/26/389700226.db2.gz BNDHDUGAAJJOSU-VHSXEESVSA-N 2 2 252.314 0.818 20 0 CCADLP COc1coc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1=O ZINC000351857467 389700229 /nfs/dbraw/zinc/70/02/29/389700229.db2.gz BNDHDUGAAJJOSU-VHSXEESVSA-N 2 2 252.314 0.818 20 0 CCADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)CCn1cc[nH+]c1 ZINC000416287451 389724851 /nfs/dbraw/zinc/72/48/51/389724851.db2.gz BYTVCHFKVHGCHW-CHWSQXEVSA-N 2 2 280.372 0.187 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)CCn1cc[nH+]c1 ZINC000416287451 389724852 /nfs/dbraw/zinc/72/48/52/389724852.db2.gz BYTVCHFKVHGCHW-CHWSQXEVSA-N 2 2 280.372 0.187 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCC2)[C@@H](C)C1 ZINC000429805280 389771972 /nfs/dbraw/zinc/77/19/72/389771972.db2.gz HYJQICKRKUPWCW-STQMWFEESA-N 2 2 253.390 0.881 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCC2)[C@@H](C)C1 ZINC000429805280 389771976 /nfs/dbraw/zinc/77/19/76/389771976.db2.gz HYJQICKRKUPWCW-STQMWFEESA-N 2 2 253.390 0.881 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCC2)[C@@H](C)C1 ZINC000429805280 389771978 /nfs/dbraw/zinc/77/19/78/389771978.db2.gz HYJQICKRKUPWCW-STQMWFEESA-N 2 2 253.390 0.881 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCC2)[C@@H](C)C1 ZINC000429805280 389771982 /nfs/dbraw/zinc/77/19/82/389771982.db2.gz HYJQICKRKUPWCW-STQMWFEESA-N 2 2 253.390 0.881 20 0 CCADLP [NH3+]CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000416820048 389773443 /nfs/dbraw/zinc/77/34/43/389773443.db2.gz KEHRVWMCEWSRKR-LLVKDONJSA-N 2 2 298.412 0.379 20 0 CCADLP C[C@H]1CCN(C(=O)NCCn2cc[nH+]c2)[C@H](C[NH3+])C1 ZINC000416841452 389776121 /nfs/dbraw/zinc/77/61/21/389776121.db2.gz HGHVBVNZDSFYFJ-RYUDHWBXSA-N 2 2 265.361 0.652 20 0 CCADLP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)CC1 ZINC000352277160 389782683 /nfs/dbraw/zinc/78/26/83/389782683.db2.gz ZEUPBYXNXYANCT-CABCVRRESA-N 2 2 295.427 0.648 20 0 CCADLP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)CC1 ZINC000352277160 389782684 /nfs/dbraw/zinc/78/26/84/389782684.db2.gz ZEUPBYXNXYANCT-CABCVRRESA-N 2 2 295.427 0.648 20 0 CCADLP CC[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C[C@H](CC)O1 ZINC000398688691 389784555 /nfs/dbraw/zinc/78/45/55/389784555.db2.gz QYZNERWUWBXDAP-SOUVJXGZSA-N 2 2 288.432 0.815 20 0 CCADLP CC[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)CCOC)C[C@H](CC)O1 ZINC000398688691 389784558 /nfs/dbraw/zinc/78/45/58/389784558.db2.gz QYZNERWUWBXDAP-SOUVJXGZSA-N 2 2 288.432 0.815 20 0 CCADLP CC[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)CCOC)C[C@H](CC)O1 ZINC000398688691 389784562 /nfs/dbraw/zinc/78/45/62/389784562.db2.gz QYZNERWUWBXDAP-SOUVJXGZSA-N 2 2 288.432 0.815 20 0 CCADLP CC[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C[C@H](CC)O1 ZINC000398688691 389784564 /nfs/dbraw/zinc/78/45/64/389784564.db2.gz QYZNERWUWBXDAP-SOUVJXGZSA-N 2 2 288.432 0.815 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000417020292 389790219 /nfs/dbraw/zinc/79/02/19/389790219.db2.gz RXOUUNQQAKGMDG-GFCCVEGCSA-N 2 2 277.372 0.684 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000417025518 389790876 /nfs/dbraw/zinc/79/08/76/389790876.db2.gz LRXVCTPGDWHCIA-HZSPNIEDSA-N 2 2 298.431 0.524 20 0 CCADLP CCCC[C@H](C[NH3+])NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000417040806 389791604 /nfs/dbraw/zinc/79/16/04/389791604.db2.gz VYQORFCDQLCFDS-QWHCGFSZSA-N 2 2 286.420 0.524 20 0 CCADLP COCC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@H]1CCOC1 ZINC000352355361 389796064 /nfs/dbraw/zinc/79/60/64/389796064.db2.gz BYFDVXWGJVFBIR-KBPBESRZSA-N 2 2 272.389 0.179 20 0 CCADLP COCC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@H]1CCOC1 ZINC000352355361 389796067 /nfs/dbraw/zinc/79/60/67/389796067.db2.gz BYFDVXWGJVFBIR-KBPBESRZSA-N 2 2 272.389 0.179 20 0 CCADLP COCC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@H]1CCOC1 ZINC000352355361 389796068 /nfs/dbraw/zinc/79/60/68/389796068.db2.gz BYFDVXWGJVFBIR-KBPBESRZSA-N 2 2 272.389 0.179 20 0 CCADLP COCC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H]1CCO[C@H]1C ZINC000352355602 389796624 /nfs/dbraw/zinc/79/66/24/389796624.db2.gz CYURCLLUUOMLGP-NWANDNLSSA-N 2 2 286.416 0.567 20 0 CCADLP COCC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H]1CCO[C@H]1C ZINC000352355602 389796625 /nfs/dbraw/zinc/79/66/25/389796625.db2.gz CYURCLLUUOMLGP-NWANDNLSSA-N 2 2 286.416 0.567 20 0 CCADLP COCC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@@H]1CCO[C@H]1C ZINC000352355602 389796627 /nfs/dbraw/zinc/79/66/27/389796627.db2.gz CYURCLLUUOMLGP-NWANDNLSSA-N 2 2 286.416 0.567 20 0 CCADLP COCC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCO[C@H]1C ZINC000352355602 389796628 /nfs/dbraw/zinc/79/66/28/389796628.db2.gz CYURCLLUUOMLGP-NWANDNLSSA-N 2 2 286.416 0.567 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000351985826 389730679 /nfs/dbraw/zinc/73/06/79/389730679.db2.gz BNIMWPARLUUBOE-JHJVBQTASA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000351985826 389730682 /nfs/dbraw/zinc/73/06/82/389730682.db2.gz BNIMWPARLUUBOE-JHJVBQTASA-N 2 2 276.384 0.997 20 0 CCADLP CCC[N@H+](CC(N)=O)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000429154309 389740572 /nfs/dbraw/zinc/74/05/72/389740572.db2.gz ZYOTZCAMKLRSAL-UHFFFAOYSA-N 2 2 298.431 0.173 20 0 CCADLP CCC[N@@H+](CC(N)=O)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000429154309 389740575 /nfs/dbraw/zinc/74/05/75/389740575.db2.gz ZYOTZCAMKLRSAL-UHFFFAOYSA-N 2 2 298.431 0.173 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000416441457 389744282 /nfs/dbraw/zinc/74/42/82/389744282.db2.gz VKFUGBQBAPCRTQ-UTUOFQBUSA-N 2 2 265.361 0.569 20 0 CCADLP C[NH2+]CCNC(=O)NCc1cn2cc(C)ccc2[nH+]1 ZINC000417189313 389802182 /nfs/dbraw/zinc/80/21/82/389802182.db2.gz IQXLQGJIZHXJDQ-UHFFFAOYSA-N 2 2 261.329 0.661 20 0 CCADLP Cc1ccn2cc(CNC(=O)N[C@@H](C)C[NH3+])[nH+]c2c1 ZINC000417241118 389805287 /nfs/dbraw/zinc/80/52/87/389805287.db2.gz NATMRQNMKJBZEU-JTQLQIEISA-N 2 2 261.329 0.789 20 0 CCADLP CO[C@]1(C[NH2+]CCC[NH+]2CCOCC2)CCOC1 ZINC000401932167 389806339 /nfs/dbraw/zinc/80/63/39/389806339.db2.gz MKJASIRZSMEIDH-ZDUSSCGKSA-N 2 2 258.362 0.104 20 0 CCADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000430576489 389809256 /nfs/dbraw/zinc/80/92/56/389809256.db2.gz XNGRJAJULOEMMD-MBNYWOFBSA-N 2 2 271.405 0.585 20 0 CCADLP C[C@](C[NH3+])([NH2+]CC(=O)NCCOc1ccccc1)C1CC1 ZINC000430588937 389810484 /nfs/dbraw/zinc/81/04/84/389810484.db2.gz BGEDDLKACWXEHX-MRXNPFEDSA-N 2 2 291.395 0.899 20 0 CCADLP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430601080 389811297 /nfs/dbraw/zinc/81/12/97/389811297.db2.gz TUHWSIZCGJFWQP-LLVKDONJSA-N 2 2 298.431 0.029 20 0 CCADLP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430601080 389811299 /nfs/dbraw/zinc/81/12/99/389811299.db2.gz TUHWSIZCGJFWQP-LLVKDONJSA-N 2 2 298.431 0.029 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000430598970 389811338 /nfs/dbraw/zinc/81/13/38/389811338.db2.gz FKUYLKNOSKVWAT-OCCSQVGLSA-N 2 2 291.399 0.457 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+]([C@H]2CCN(c3cnn(C)c3)C2=O)C1 ZINC000430598970 389811341 /nfs/dbraw/zinc/81/13/41/389811341.db2.gz FKUYLKNOSKVWAT-OCCSQVGLSA-N 2 2 291.399 0.457 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430598422 389811498 /nfs/dbraw/zinc/81/14/98/389811498.db2.gz DANKCHDQWCJUPL-MNOVXSKESA-N 2 2 263.345 0.474 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430598422 389811501 /nfs/dbraw/zinc/81/15/01/389811501.db2.gz DANKCHDQWCJUPL-MNOVXSKESA-N 2 2 263.345 0.474 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](CCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000430618038 389813404 /nfs/dbraw/zinc/81/34/04/389813404.db2.gz QSRYKTLWAYOSQM-SNVBAGLBSA-N 2 2 277.324 0.777 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](CCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000430618038 389813405 /nfs/dbraw/zinc/81/34/05/389813405.db2.gz QSRYKTLWAYOSQM-SNVBAGLBSA-N 2 2 277.324 0.777 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430625222 389814153 /nfs/dbraw/zinc/81/41/53/389814153.db2.gz QBZMWRUEYAMVDW-UPJWGTAASA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430625222 389814155 /nfs/dbraw/zinc/81/41/55/389814155.db2.gz QBZMWRUEYAMVDW-UPJWGTAASA-N 2 2 269.389 0.341 20 0 CCADLP [NH3+]C[C@H]1CCC[N@@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000430639267 389815502 /nfs/dbraw/zinc/81/55/02/389815502.db2.gz OVEQWQABNAXYJD-NXEZZACHSA-N 2 2 279.306 0.820 20 0 CCADLP [NH3+]C[C@H]1CCC[N@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000430639267 389815505 /nfs/dbraw/zinc/81/55/05/389815505.db2.gz OVEQWQABNAXYJD-NXEZZACHSA-N 2 2 279.306 0.820 20 0 CCADLP C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+]1CCC([NH3+])CC1 ZINC000430640553 389815856 /nfs/dbraw/zinc/81/58/56/389815856.db2.gz RHFOPTVOCHHTSX-AAEUAGOBSA-N 2 2 296.415 0.814 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCCc2[nH+]ccn21)[NH+]1CCOCC1 ZINC000352496862 389819122 /nfs/dbraw/zinc/81/91/22/389819122.db2.gz AOXXABCPUNXKDA-OLZOCXBDSA-N 2 2 292.383 0.597 20 0 CCADLP C[C@H]1C[C@H](NC(=O)NCC[N@@H+]2CCOCC2(C)C)CC[NH2+]1 ZINC000417499269 389821653 /nfs/dbraw/zinc/82/16/53/389821653.db2.gz FREOCLJVPDCOPH-QWHCGFSZSA-N 2 2 298.431 0.537 20 0 CCADLP C[C@H]1C[C@H](NC(=O)NCC[N@H+]2CCOCC2(C)C)CC[NH2+]1 ZINC000417499269 389821655 /nfs/dbraw/zinc/82/16/55/389821655.db2.gz FREOCLJVPDCOPH-QWHCGFSZSA-N 2 2 298.431 0.537 20 0 CCADLP C[C@@H](NC(=O)NCC(C)(C)[NH3+])[C@@H](C)[NH+]1CCOCC1 ZINC000417515636 389823894 /nfs/dbraw/zinc/82/38/94/389823894.db2.gz DRLHRVOSADRONV-GHMZBOCLSA-N 2 2 272.393 0.132 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N1CC[NH2+][C@@H](C)C1)[NH+]1CCOCC1 ZINC000417515460 389824364 /nfs/dbraw/zinc/82/43/64/389824364.db2.gz DIZQVFJLIZWMLD-RWMBFGLXSA-N 2 2 284.404 0.099 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000430778249 389825291 /nfs/dbraw/zinc/82/52/91/389825291.db2.gz PYHYNABDWJZYCZ-ZDUSSCGKSA-N 2 2 294.399 0.924 20 0 CCADLP C[C@@H]1CCN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)C[C@@H]1C[NH3+] ZINC000417517459 389825437 /nfs/dbraw/zinc/82/54/37/389825437.db2.gz QGUMXARLTMGJBL-MCIONIFRSA-N 2 2 298.431 0.333 20 0 CCADLP C[C@@H]1CCN(C(=O)NCC[N@H+]2CCOC[C@H]2C)C[C@@H]1C[NH3+] ZINC000417517459 389825439 /nfs/dbraw/zinc/82/54/39/389825439.db2.gz QGUMXARLTMGJBL-MCIONIFRSA-N 2 2 298.431 0.333 20 0 CCADLP C[C@@H](NC(=O)NC1(C)CC[NH2+]CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000417524530 389825725 /nfs/dbraw/zinc/82/57/25/389825725.db2.gz SPZYTZVBYCCHKL-CHWSQXEVSA-N 2 2 298.431 0.537 20 0 CCADLP C[C@H]([C@H](C)NC(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[NH+]1CCOCC1 ZINC000417520286 389825933 /nfs/dbraw/zinc/82/59/33/389825933.db2.gz NOGQBQJXLVQHBT-XJFOESAGSA-N 2 2 298.431 0.535 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC000417526191 389826899 /nfs/dbraw/zinc/82/68/99/389826899.db2.gz MFUBLAYMHZXLLS-HZSPNIEDSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC000417526191 389826900 /nfs/dbraw/zinc/82/69/00/389826900.db2.gz MFUBLAYMHZXLLS-HZSPNIEDSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000352556913 389831209 /nfs/dbraw/zinc/83/12/09/389831209.db2.gz HARXZPJCWSRDJV-LBPRGKRZSA-N 2 2 286.420 0.347 20 0 CCADLP CO[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000441365784 389832096 /nfs/dbraw/zinc/83/20/96/389832096.db2.gz RHWWWHJEXQVSPQ-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP CO[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000441365784 389832099 /nfs/dbraw/zinc/83/20/99/389832099.db2.gz RHWWWHJEXQVSPQ-QWHCGFSZSA-N 2 2 269.389 0.260 20 0 CCADLP Cc1[nH]ncc1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441379804 389832387 /nfs/dbraw/zinc/83/23/87/389832387.db2.gz PSVMFBCRCVSNMH-UHFFFAOYSA-N 2 2 265.405 0.834 20 0 CCADLP Cc1[nH]ncc1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000441379804 389832389 /nfs/dbraw/zinc/83/23/89/389832389.db2.gz PSVMFBCRCVSNMH-UHFFFAOYSA-N 2 2 265.405 0.834 20 0 CCADLP CS(=O)(=O)c1cccc(OCC[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000430920197 389835362 /nfs/dbraw/zinc/83/53/62/389835362.db2.gz UJCSWYPHJAXUKS-LBPRGKRZSA-N 2 2 298.408 0.750 20 0 CCADLP CS(=O)(=O)c1cccc(OCC[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000430920197 389835366 /nfs/dbraw/zinc/83/53/66/389835366.db2.gz UJCSWYPHJAXUKS-LBPRGKRZSA-N 2 2 298.408 0.750 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)n1 ZINC000430947294 389838469 /nfs/dbraw/zinc/83/84/69/389838469.db2.gz AMKJXFIIVDYSOH-MWLCHTKSSA-N 2 2 250.346 0.914 20 0 CCADLP CCc1cc(=O)[nH]c(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)n1 ZINC000430947294 389838471 /nfs/dbraw/zinc/83/84/71/389838471.db2.gz AMKJXFIIVDYSOH-MWLCHTKSSA-N 2 2 250.346 0.914 20 0 CCADLP [NH3+]C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)C1 ZINC000430952627 389839456 /nfs/dbraw/zinc/83/94/56/389839456.db2.gz ZNPVDTYUTFDOQK-MJBXVCDLSA-N 2 2 281.400 0.437 20 0 CCADLP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)C1 ZINC000430952627 389839463 /nfs/dbraw/zinc/83/94/63/389839463.db2.gz ZNPVDTYUTFDOQK-MJBXVCDLSA-N 2 2 281.400 0.437 20 0 CCADLP COc1cc(NC(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)cc(OC)c1 ZINC000430955458 389840172 /nfs/dbraw/zinc/84/01/72/389840172.db2.gz AINWPZOFEXCCHT-LLVKDONJSA-N 2 2 293.367 0.923 20 0 CCADLP COc1cc(NC(=O)C[N@H+]2CC[C@H](C[NH3+])C2)cc(OC)c1 ZINC000430955458 389840174 /nfs/dbraw/zinc/84/01/74/389840174.db2.gz AINWPZOFEXCCHT-LLVKDONJSA-N 2 2 293.367 0.923 20 0 CCADLP C[C@@]1(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CC[NH2+]C1 ZINC000431055691 389847682 /nfs/dbraw/zinc/84/76/82/389847682.db2.gz AGOKHQOCQLDSNE-CQSZACIVSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@@]1(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CC[NH2+]C1 ZINC000431055691 389847684 /nfs/dbraw/zinc/84/76/84/389847684.db2.gz AGOKHQOCQLDSNE-CQSZACIVSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@@H](CC[NH3+])NC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000417817378 389852202 /nfs/dbraw/zinc/85/22/02/389852202.db2.gz VMXMXJANNIJVQY-WRWORJQWSA-N 2 2 257.284 0.818 20 0 CCADLP C[C@@H](C[NH2+]C1CCC(O)CC1)C[NH+]1CCOCC1 ZINC000353529199 389852408 /nfs/dbraw/zinc/85/24/08/389852408.db2.gz JAOGPHBTLUJWDT-HSBZDZAISA-N 2 2 256.390 0.848 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1 ZINC000353580186 389853458 /nfs/dbraw/zinc/85/34/58/389853458.db2.gz WJNMCEHHPMJVFL-BIGJJFBESA-N 2 2 281.400 0.352 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCC(=O)N[C@@H]1[C@@H]1CCCO1 ZINC000353580186 389853462 /nfs/dbraw/zinc/85/34/62/389853462.db2.gz WJNMCEHHPMJVFL-BIGJJFBESA-N 2 2 281.400 0.352 20 0 CCADLP Cn1c2cc(F)ccc2[nH+]c1NC[C@H]1C[N@H+](C)CCN1C ZINC000431412714 389859083 /nfs/dbraw/zinc/85/90/83/389859083.db2.gz GBDGTHULPKVGFE-LBPRGKRZSA-N 2 2 291.374 0.792 20 0 CCADLP Cn1c2cc(F)ccc2[nH+]c1NC[C@H]1C[N@@H+](C)CCN1C ZINC000431412714 389859086 /nfs/dbraw/zinc/85/90/86/389859086.db2.gz GBDGTHULPKVGFE-LBPRGKRZSA-N 2 2 291.374 0.792 20 0 CCADLP C[C@H](C[NH3+])CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000417887485 389861040 /nfs/dbraw/zinc/86/10/40/389861040.db2.gz KZJSNUBEWAKIHH-SNVBAGLBSA-N 2 2 261.329 0.728 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442775101 389862653 /nfs/dbraw/zinc/86/26/53/389862653.db2.gz BKAIMVANLJATRZ-MXWKQRLJSA-N 2 2 263.345 0.473 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442775101 389862654 /nfs/dbraw/zinc/86/26/54/389862654.db2.gz BKAIMVANLJATRZ-MXWKQRLJSA-N 2 2 263.345 0.473 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)N(C)CC[NH+](C)C1CC1 ZINC000369559139 285350422 /nfs/dbraw/zinc/35/04/22/285350422.db2.gz FTQJDDSMIKEVDK-ZDUSSCGKSA-N 2 2 269.389 0.260 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)N(C)CC[NH+](C)C1CC1 ZINC000369559139 285350427 /nfs/dbraw/zinc/35/04/27/285350427.db2.gz FTQJDDSMIKEVDK-ZDUSSCGKSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCOC[C@H]1C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000369559139 285350431 /nfs/dbraw/zinc/35/04/31/285350431.db2.gz FTQJDDSMIKEVDK-ZDUSSCGKSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCOC[C@H]1C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000369559139 285350433 /nfs/dbraw/zinc/35/04/33/285350433.db2.gz FTQJDDSMIKEVDK-ZDUSSCGKSA-N 2 2 269.389 0.260 20 0 CCADLP Cn1c(NC[C@H]2C[N@H+](C)CCO2)[nH+]c2cccc(F)c21 ZINC000443516893 389881247 /nfs/dbraw/zinc/88/12/47/389881247.db2.gz GDEDBXUUJAXSPO-JTQLQIEISA-N 2 2 278.331 0.877 20 0 CCADLP Cn1c(NC[C@H]2C[N@@H+](C)CCO2)[nH+]c2cccc(F)c21 ZINC000443516893 389881249 /nfs/dbraw/zinc/88/12/49/389881249.db2.gz GDEDBXUUJAXSPO-JTQLQIEISA-N 2 2 278.331 0.877 20 0 CCADLP [NH3+]C1CC[NH+](CCCC(=O)NCCCn2cc[nH+]c2)CC1 ZINC000433172852 389903581 /nfs/dbraw/zinc/90/35/81/389903581.db2.gz ISBFBFYJLKDNKG-UHFFFAOYSA-N 3 2 293.415 0.593 20 0 CCADLP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000419684405 389906147 /nfs/dbraw/zinc/90/61/47/389906147.db2.gz LXXSCRBZCJMXSB-RYUDHWBXSA-N 2 2 295.387 0.022 20 0 CCADLP C[NH2+]CCC[N@@H+]1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000435874299 389964800 /nfs/dbraw/zinc/96/48/00/389964800.db2.gz IUECOCQWHJOBSP-ZDUSSCGKSA-N 2 2 252.362 0.502 20 0 CCADLP C[NH2+]CCC[N@H+]1CCO[C@H](Cn2cc(C)cn2)C1 ZINC000435874299 389964802 /nfs/dbraw/zinc/96/48/02/389964802.db2.gz IUECOCQWHJOBSP-ZDUSSCGKSA-N 2 2 252.362 0.502 20 0 CCADLP C[C@@H]1C[NH2+]CCN1c1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000420216174 389966531 /nfs/dbraw/zinc/96/65/31/389966531.db2.gz BVJFKPSTBRPWQT-CHWSQXEVSA-N 2 2 291.399 0.483 20 0 CCADLP C[C@H]1C[N@H+](C)CCN1c1cc(N2CCOCC2)[nH+]cn1 ZINC000434097397 389924231 /nfs/dbraw/zinc/92/42/31/389924231.db2.gz HIZFEPNFDNVXGN-LBPRGKRZSA-N 2 2 277.372 0.454 20 0 CCADLP C[C@H]1C[N@@H+](C)CCN1c1cc(N2CCOCC2)[nH+]cn1 ZINC000434097397 389924233 /nfs/dbraw/zinc/92/42/33/389924233.db2.gz HIZFEPNFDNVXGN-LBPRGKRZSA-N 2 2 277.372 0.454 20 0 CCADLP CCOC1CC(O)(C[NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1 ZINC000446840091 389942282 /nfs/dbraw/zinc/94/22/82/389942282.db2.gz XEQGRKXJDZPNTJ-HQSMGLLHSA-N 2 2 268.401 0.989 20 0 CCADLP CCOC1CC(O)(C[NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)C1 ZINC000446840091 389942283 /nfs/dbraw/zinc/94/22/83/389942283.db2.gz XEQGRKXJDZPNTJ-HQSMGLLHSA-N 2 2 268.401 0.989 20 0 CCADLP C[C@@H](CN1CCOCC1)[N@H+](C)CCn1cc[nH+]c1 ZINC000434714341 389944625 /nfs/dbraw/zinc/94/46/25/389944625.db2.gz PHYCYFJHZDEUGI-ZDUSSCGKSA-N 2 2 252.362 0.536 20 0 CCADLP C[C@@H](CN1CCOCC1)[N@@H+](C)CCn1cc[nH+]c1 ZINC000434714341 389944627 /nfs/dbraw/zinc/94/46/27/389944627.db2.gz PHYCYFJHZDEUGI-ZDUSSCGKSA-N 2 2 252.362 0.536 20 0 CCADLP CN(C)c1ccc(CNC(=O)C[C@@H]2CSCC[NH2+]2)c[nH+]1 ZINC000434872469 389949160 /nfs/dbraw/zinc/94/91/60/389949160.db2.gz CHKJRSHUIOLTJT-GFCCVEGCSA-N 2 2 294.424 0.859 20 0 CCADLP COc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cn1 ZINC000436411997 389975947 /nfs/dbraw/zinc/97/59/47/389975947.db2.gz NDCZYIPEADFLQC-ZDUSSCGKSA-N 2 2 251.330 0.246 20 0 CCADLP COc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cn1 ZINC000436411997 389975950 /nfs/dbraw/zinc/97/59/50/389975950.db2.gz NDCZYIPEADFLQC-ZDUSSCGKSA-N 2 2 251.330 0.246 20 0 CCADLP Cc1nc(N(C)C)nc(NC[C@@H]2CCC[C@@H]([NH3+])C2)[nH+]1 ZINC000420281756 389977229 /nfs/dbraw/zinc/97/72/29/389977229.db2.gz MPAWBWPLZUEEPG-GHMZBOCLSA-N 2 2 264.377 0.597 20 0 CCADLP Cc1nc(NC[C@@H]2CCC[C@@H]([NH3+])C2)nc(N(C)C)[nH+]1 ZINC000420281756 389977231 /nfs/dbraw/zinc/97/72/31/389977231.db2.gz MPAWBWPLZUEEPG-GHMZBOCLSA-N 2 2 264.377 0.597 20 0 CCADLP CCOC(=O)[C@@H](CC)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420307048 389981344 /nfs/dbraw/zinc/98/13/44/389981344.db2.gz LRMUFORGRJDQAC-CHWSQXEVSA-N 2 2 297.399 0.224 20 0 CCADLP CCOC(=O)[C@@H](CC)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000420307048 389981347 /nfs/dbraw/zinc/98/13/47/389981347.db2.gz LRMUFORGRJDQAC-CHWSQXEVSA-N 2 2 297.399 0.224 20 0 CCADLP CC(C)n1nnnc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000420307870 389981366 /nfs/dbraw/zinc/98/13/66/389981366.db2.gz NCGQEJVUBAIIHG-QJPTWQEYSA-N 2 2 264.377 0.813 20 0 CCADLP CC(C)n1nnnc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000420307870 389981368 /nfs/dbraw/zinc/98/13/68/389981368.db2.gz NCGQEJVUBAIIHG-QJPTWQEYSA-N 2 2 264.377 0.813 20 0 CCADLP CC[C@H](C)[C@H](NC(=O)C[NH2+]CC1([NH3+])CCC1)C(=O)OC ZINC000420311682 389982117 /nfs/dbraw/zinc/98/21/17/389982117.db2.gz RELVTTUYLRCDAZ-JQWIXIFHSA-N 2 2 285.388 0.161 20 0 CCADLP C[C@H]1CC[N@H+](CCCN2C(=O)NC(C)(C)C2=O)[C@H](C[NH3+])C1 ZINC000420326448 389984194 /nfs/dbraw/zinc/98/41/94/389984194.db2.gz CHJOSTYQBKRVQF-RYUDHWBXSA-N 2 2 296.415 0.766 20 0 CCADLP C[C@H]1CC[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)[C@H](C[NH3+])C1 ZINC000420326448 389984197 /nfs/dbraw/zinc/98/41/97/389984197.db2.gz CHJOSTYQBKRVQF-RYUDHWBXSA-N 2 2 296.415 0.766 20 0 CCADLP CSc1cccc(NC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C[NH3+])c1 ZINC000420350630 389988158 /nfs/dbraw/zinc/98/81/58/389988158.db2.gz HKKNEIKWHQYQBE-ZYHUDNBSSA-N 2 2 297.424 0.987 20 0 CCADLP CSc1cccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@H](O)C[NH3+])c1 ZINC000420350630 389988161 /nfs/dbraw/zinc/98/81/61/389988161.db2.gz HKKNEIKWHQYQBE-ZYHUDNBSSA-N 2 2 297.424 0.987 20 0 CCADLP Cn1cc[nH+]c1CN1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000420366385 389992628 /nfs/dbraw/zinc/99/26/28/389992628.db2.gz UIZZEKNIUDUPEJ-UHFFFAOYSA-N 3 2 291.443 0.927 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+][C@@H]1CCN(C2CC2)C1=O ZINC000420372779 389993828 /nfs/dbraw/zinc/99/38/28/389993828.db2.gz QPRPLCYMMHUCRJ-WFFHOREQSA-N 2 2 251.374 0.726 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000449443709 389994224 /nfs/dbraw/zinc/99/42/24/389994224.db2.gz VBAFPZMLJKCLCF-UTUOFQBUSA-N 2 2 289.445 0.529 20 0 CCADLP CC[C@H](CNS(C)(=O)=O)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000449443709 389994226 /nfs/dbraw/zinc/99/42/26/389994226.db2.gz VBAFPZMLJKCLCF-UTUOFQBUSA-N 2 2 289.445 0.529 20 0 CCADLP C[N@H+](CC[NH3+])C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000420376360 389994233 /nfs/dbraw/zinc/99/42/33/389994233.db2.gz QOVNEVOKWBKDRV-QWRGUYRKSA-N 2 2 272.393 0.946 20 0 CCADLP C[N@@H+](CC[NH3+])C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000420376360 389994235 /nfs/dbraw/zinc/99/42/35/389994235.db2.gz QOVNEVOKWBKDRV-QWRGUYRKSA-N 2 2 272.393 0.946 20 0 CCADLP CN(CC[NH3+])CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000420377402 389994402 /nfs/dbraw/zinc/99/44/02/389994402.db2.gz KXMNBONAKVQONE-UHFFFAOYSA-N 2 2 296.440 0.283 20 0 CCADLP C[NH2+]CCC[N@H+](C)[C@@H](C)C(=O)NC(=O)NC(C)C ZINC000420386797 389995833 /nfs/dbraw/zinc/99/58/33/389995833.db2.gz IUNYNHBLTIMJNV-JTQLQIEISA-N 2 2 258.366 0.150 20 0 CCADLP C[NH2+]CCC[N@@H+](C)[C@@H](C)C(=O)NC(=O)NC(C)C ZINC000420386797 389995834 /nfs/dbraw/zinc/99/58/34/389995834.db2.gz IUNYNHBLTIMJNV-JTQLQIEISA-N 2 2 258.366 0.150 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](OC)[C@H](C)C2)CC1 ZINC000451551333 390002787 /nfs/dbraw/zinc/00/27/87/390002787.db2.gz WEWHFMUUYRTLIT-ILXRZTDVSA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](OC)[C@H](C)C2)CC1 ZINC000451551333 390002788 /nfs/dbraw/zinc/00/27/88/390002788.db2.gz WEWHFMUUYRTLIT-ILXRZTDVSA-N 2 2 297.443 0.896 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)CC1 ZINC000451600297 390003111 /nfs/dbraw/zinc/00/31/11/390003111.db2.gz GWTLXBLDZVJSMD-ZBFHGGJFSA-N 2 2 295.427 0.147 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]CC[C@@H]1CCOC1 ZINC000438217394 390003407 /nfs/dbraw/zinc/00/34/07/390003407.db2.gz RQBKLDLUAFXJLY-OLZOCXBDSA-N 2 2 269.389 0.342 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]CC[C@@H]1CCOC1 ZINC000438217394 390003409 /nfs/dbraw/zinc/00/34/09/390003409.db2.gz RQBKLDLUAFXJLY-OLZOCXBDSA-N 2 2 269.389 0.342 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456197781 390013490 /nfs/dbraw/zinc/01/34/90/390013490.db2.gz FAWUWPPROLPFDP-IGQOVBAYSA-N 2 2 281.400 0.164 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456197781 390013492 /nfs/dbraw/zinc/01/34/92/390013492.db2.gz FAWUWPPROLPFDP-IGQOVBAYSA-N 2 2 281.400 0.164 20 0 CCADLP C[C@H]1C[NH+](C)C[C@H]1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456197781 390013494 /nfs/dbraw/zinc/01/34/94/390013494.db2.gz FAWUWPPROLPFDP-IGQOVBAYSA-N 2 2 281.400 0.164 20 0 CCADLP C[C@H]1C[NH+](C)C[C@H]1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000456197781 390013495 /nfs/dbraw/zinc/01/34/95/390013495.db2.gz FAWUWPPROLPFDP-IGQOVBAYSA-N 2 2 281.400 0.164 20 0 CCADLP COC[C@@H]1C[N@H+](CCn2cc[nH+]c2C)C[C@@H](C)O1 ZINC000439283856 390019440 /nfs/dbraw/zinc/01/94/40/390019440.db2.gz LDHLMPZOTMNIPE-YPMHNXCESA-N 2 2 253.346 0.927 20 0 CCADLP COC[C@@H]1C[N@@H+](CCn2cc[nH+]c2C)C[C@@H](C)O1 ZINC000439283856 390019442 /nfs/dbraw/zinc/01/94/42/390019442.db2.gz LDHLMPZOTMNIPE-YPMHNXCESA-N 2 2 253.346 0.927 20 0 CCADLP CN(C[C@@H]1CCC[N@@H+]1C)c1cc[nH+]c(N2CCOCC2)n1 ZINC000420643913 390020040 /nfs/dbraw/zinc/02/00/40/390020040.db2.gz XWVZIWXFSXYVIZ-ZDUSSCGKSA-N 2 2 291.399 0.844 20 0 CCADLP CN(C[C@@H]1CCC[N@H+]1C)c1cc[nH+]c(N2CCOCC2)n1 ZINC000420643913 390020041 /nfs/dbraw/zinc/02/00/41/390020041.db2.gz XWVZIWXFSXYVIZ-ZDUSSCGKSA-N 2 2 291.399 0.844 20 0 CCADLP C[C@H]1CC[N@@H+](C)CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000439972231 390029058 /nfs/dbraw/zinc/02/90/58/390029058.db2.gz MXTCUEQDMKYPJL-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP C[NH+](C)CCOCCNC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000471633723 390077539 /nfs/dbraw/zinc/07/75/39/390077539.db2.gz HAQJRJRXVMVSFV-GFCCVEGCSA-N 2 2 295.387 0.075 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000487507346 390087949 /nfs/dbraw/zinc/08/79/49/390087949.db2.gz WMFWOVNBBDWWDO-RDBSUJKOSA-N 2 2 283.416 0.363 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000487507346 390087950 /nfs/dbraw/zinc/08/79/50/390087950.db2.gz WMFWOVNBBDWWDO-RDBSUJKOSA-N 2 2 283.416 0.363 20 0 CCADLP COCC[N@@H+]1CCCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493144850 390119534 /nfs/dbraw/zinc/11/95/34/390119534.db2.gz FEDKULRROYJYFL-ONEGZZNKSA-N 2 2 278.356 0.604 20 0 CCADLP COCC[N@H+]1CCCN(C(=O)/C=C/c2[nH]cc[nH+]2)CC1 ZINC000493144850 390119535 /nfs/dbraw/zinc/11/95/35/390119535.db2.gz FEDKULRROYJYFL-ONEGZZNKSA-N 2 2 278.356 0.604 20 0 CCADLP C[C@@H]1CN(C(=O)/C=C\c2[nH]cc[nH+]2)CC[N@@H+]1CC(C)(C)O ZINC000493146595 390119604 /nfs/dbraw/zinc/11/96/04/390119604.db2.gz HFSMKJNXXSUQSH-QMAVJUDZSA-N 2 2 292.383 0.727 20 0 CCADLP C[C@@H]1CN(C(=O)/C=C\c2[nH]cc[nH+]2)CC[N@H+]1CC(C)(C)O ZINC000493146595 390119605 /nfs/dbraw/zinc/11/96/05/390119605.db2.gz HFSMKJNXXSUQSH-QMAVJUDZSA-N 2 2 292.383 0.727 20 0 CCADLP Cc1nc(NC2CC[NH+](C(C)C)CC2)nc(N(C)C)[nH+]1 ZINC000489477555 390100562 /nfs/dbraw/zinc/10/05/62/390100562.db2.gz OZDUNLDOLQEOOX-UHFFFAOYSA-N 2 2 278.404 0.953 20 0 CCADLP Cc1nc(N(C)C)nc(NC2CC[NH+](C(C)C)CC2)[nH+]1 ZINC000489477555 390100563 /nfs/dbraw/zinc/10/05/63/390100563.db2.gz OZDUNLDOLQEOOX-UHFFFAOYSA-N 2 2 278.404 0.953 20 0 CCADLP CCC[NH+]1CCC(NC(=O)NC[C@H]2COCC[N@@H+]2C)CC1 ZINC000527643423 285357174 /nfs/dbraw/zinc/35/71/74/285357174.db2.gz PPWWCEAKNYZAGX-AWEZNQCLSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[NH+]1CCC(NC(=O)NC[C@H]2COCC[N@H+]2C)CC1 ZINC000527643423 285357177 /nfs/dbraw/zinc/35/71/77/285357177.db2.gz PPWWCEAKNYZAGX-AWEZNQCLSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+](C2CC2)C2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000647814602 390179290 /nfs/dbraw/zinc/17/92/90/390179290.db2.gz VPQPIPSKNFFCFN-CHWSQXEVSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+](C2CC2)C2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000647814602 390179295 /nfs/dbraw/zinc/17/92/95/390179295.db2.gz VPQPIPSKNFFCFN-CHWSQXEVSA-N 2 2 295.427 0.839 20 0 CCADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493813562 390127864 /nfs/dbraw/zinc/12/78/64/390127864.db2.gz CYPMDFUDBADUNT-OPVGQWETSA-N 2 2 278.356 0.336 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)C=Cc1c[nH]c[nH+]1 ZINC000493813562 390127865 /nfs/dbraw/zinc/12/78/65/390127865.db2.gz CYPMDFUDBADUNT-OPVGQWETSA-N 2 2 278.356 0.336 20 0 CCADLP C[N@@H+]1CCc2nc(NC(=O)[C@@H]3CC[NH2+]C3)sc2C1 ZINC000578982953 390131415 /nfs/dbraw/zinc/13/14/15/390131415.db2.gz RTSZFKPPSSRWSJ-MRVPVSSYSA-N 2 2 266.370 0.679 20 0 CCADLP C[N@H+]1CCc2nc(NC(=O)[C@@H]3CC[NH2+]C3)sc2C1 ZINC000578982953 390131418 /nfs/dbraw/zinc/13/14/18/390131418.db2.gz RTSZFKPPSSRWSJ-MRVPVSSYSA-N 2 2 266.370 0.679 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000535034939 390136474 /nfs/dbraw/zinc/13/64/74/390136474.db2.gz KHYNDNGTBOKZFD-ZDUSSCGKSA-N 2 2 277.372 0.681 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000535034939 390136476 /nfs/dbraw/zinc/13/64/76/390136476.db2.gz KHYNDNGTBOKZFD-ZDUSSCGKSA-N 2 2 277.372 0.681 20 0 CCADLP [NH3+]CC12CCC(CC1)C[N@@H+]2CCC(=O)N1CC[NH2+]CC1 ZINC000579251824 390157331 /nfs/dbraw/zinc/15/73/31/390157331.db2.gz KLYVHVCVOLQEGK-UHFFFAOYSA-N 3 2 280.416 0.012 20 0 CCADLP [NH3+]CC12CCC(CC1)C[N@H+]2CCC(=O)N1CC[NH2+]CC1 ZINC000579251824 390157333 /nfs/dbraw/zinc/15/73/33/390157333.db2.gz KLYVHVCVOLQEGK-UHFFFAOYSA-N 3 2 280.416 0.012 20 0 CCADLP CC[NH+]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000579374321 390168620 /nfs/dbraw/zinc/16/86/20/390168620.db2.gz IQRIWCVJPFEIRA-RYUDHWBXSA-N 2 2 250.346 0.824 20 0 CCADLP Cn1cnc(CCC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)n1 ZINC000647801565 390176710 /nfs/dbraw/zinc/17/67/10/390176710.db2.gz YHTGMOFQTPLVOJ-TZMCWYRMSA-N 2 2 279.388 0.104 20 0 CCADLP O=C(c1cccc(O)c1)N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647883956 390206367 /nfs/dbraw/zinc/20/63/67/390206367.db2.gz NYBHEZLKZCKNOF-CYBMUJFWSA-N 2 2 289.379 0.760 20 0 CCADLP C[N@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000647888084 390207890 /nfs/dbraw/zinc/20/78/90/390207890.db2.gz KBKZBIMZPBTJSZ-AGIUHOORSA-N 2 2 274.430 0.884 20 0 CCADLP C[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000647888084 390207894 /nfs/dbraw/zinc/20/78/94/390207894.db2.gz KBKZBIMZPBTJSZ-AGIUHOORSA-N 2 2 274.430 0.884 20 0 CCADLP CN(C)c1[nH+]cnc2c1cc(C(=O)NCc1[nH]cc[nH+]1)n2C ZINC000539782842 390209850 /nfs/dbraw/zinc/20/98/50/390209850.db2.gz AEZZNYPBBWBPSB-UHFFFAOYSA-N 2 2 299.338 0.687 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1cccc(O)c1 ZINC000540066600 390216621 /nfs/dbraw/zinc/21/66/21/390216621.db2.gz QVDJZMFZKBWVPE-UHFFFAOYSA-N 2 2 277.368 0.598 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1cccc(O)c1 ZINC000540066600 390216625 /nfs/dbraw/zinc/21/66/25/390216625.db2.gz QVDJZMFZKBWVPE-UHFFFAOYSA-N 2 2 277.368 0.598 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)NC[C@@H]2CCC[NH+]2C)CCO1 ZINC000495140257 390218836 /nfs/dbraw/zinc/21/88/36/390218836.db2.gz NRKSYIVXMNHBTD-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)NC[C@@H]2CCC[NH+]2C)CCO1 ZINC000495140257 390218839 /nfs/dbraw/zinc/21/88/39/390218839.db2.gz NRKSYIVXMNHBTD-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2CCC[N@@H+]2C)CCO1 ZINC000495140257 390218840 /nfs/dbraw/zinc/21/88/40/390218840.db2.gz NRKSYIVXMNHBTD-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@@H]1C[NH+](CCNC(=O)NC[C@@H]2CCC[N@H+]2C)CCO1 ZINC000495140257 390218843 /nfs/dbraw/zinc/21/88/43/390218843.db2.gz NRKSYIVXMNHBTD-UONOGXRCSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCC(C)([NH3+])CC1 ZINC000647926420 390219187 /nfs/dbraw/zinc/21/91/87/390219187.db2.gz CTGXVGXOQXOBET-RYUDHWBXSA-N 2 2 269.389 0.483 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)C1 ZINC000580093407 390220580 /nfs/dbraw/zinc/22/05/80/390220580.db2.gz FTQPCQJDVVNTQH-DZGCQCFKSA-N 2 2 288.395 0.896 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)C1 ZINC000580093407 390220582 /nfs/dbraw/zinc/22/05/82/390220582.db2.gz FTQPCQJDVVNTQH-DZGCQCFKSA-N 2 2 288.395 0.896 20 0 CCADLP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N(C)Cc1c[nH+]c[nH]1 ZINC000580097501 390221380 /nfs/dbraw/zinc/22/13/80/390221380.db2.gz PKKWWZRQAIFFHZ-UHFFFAOYSA-N 2 2 295.387 0.167 20 0 CCADLP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N(C)Cc1c[nH]c[nH+]1 ZINC000580097501 390221383 /nfs/dbraw/zinc/22/13/83/390221383.db2.gz PKKWWZRQAIFFHZ-UHFFFAOYSA-N 2 2 295.387 0.167 20 0 CCADLP CC[C@H]1C[N@H+](CC(=O)N(C)CC2CC2)CC[C@H]1[NH3+] ZINC000647934316 390221793 /nfs/dbraw/zinc/22/17/93/390221793.db2.gz ADUKAWDMWOGGRX-QWHCGFSZSA-N 2 2 253.390 0.914 20 0 CCADLP CC[C@H]1C[N@@H+](CC(=O)N(C)CC2CC2)CC[C@H]1[NH3+] ZINC000647934316 390221794 /nfs/dbraw/zinc/22/17/94/390221794.db2.gz ADUKAWDMWOGGRX-QWHCGFSZSA-N 2 2 253.390 0.914 20 0 CCADLP CCCCOCCNC(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000647936245 390221830 /nfs/dbraw/zinc/22/18/30/390221830.db2.gz ABVYPJSOXAGOLM-UONOGXRCSA-N 2 2 285.432 0.979 20 0 CCADLP CCCCOCCNC(=O)C[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000647936245 390221832 /nfs/dbraw/zinc/22/18/32/390221832.db2.gz ABVYPJSOXAGOLM-UONOGXRCSA-N 2 2 285.432 0.979 20 0 CCADLP [NH3+]CC[C@@H]1CCC[N@H+](Cc2nnnn2CC(F)(F)F)C1 ZINC000647951756 390225242 /nfs/dbraw/zinc/22/52/42/390225242.db2.gz DIFOCZJSRWEWIO-VIFPVBQESA-N 2 2 292.309 0.796 20 0 CCADLP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2nnnn2CC(F)(F)F)C1 ZINC000647951756 390225245 /nfs/dbraw/zinc/22/52/45/390225245.db2.gz DIFOCZJSRWEWIO-VIFPVBQESA-N 2 2 292.309 0.796 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000647955910 390226248 /nfs/dbraw/zinc/22/62/48/390226248.db2.gz MVZVOPOVFMERPJ-INIZCTEOSA-N 2 2 293.411 0.827 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000647955910 390226252 /nfs/dbraw/zinc/22/62/52/390226252.db2.gz MVZVOPOVFMERPJ-INIZCTEOSA-N 2 2 293.411 0.827 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494702365 390195047 /nfs/dbraw/zinc/19/50/47/390195047.db2.gz IIEOUYYGEZQHGZ-CHWSQXEVSA-N 2 2 269.389 0.356 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494702365 390195050 /nfs/dbraw/zinc/19/50/50/390195050.db2.gz IIEOUYYGEZQHGZ-CHWSQXEVSA-N 2 2 269.389 0.356 20 0 CCADLP c1nc(N2CC[NH+](CC3CC3)CC2)c2c([nH+]1)NCCO2 ZINC000647857658 390195394 /nfs/dbraw/zinc/19/53/94/390195394.db2.gz FTAPDYIOKQFFLT-UHFFFAOYSA-N 2 2 275.356 0.813 20 0 CCADLP CCCC1(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000580293467 390234994 /nfs/dbraw/zinc/23/49/94/390234994.db2.gz PSWYHXMKBDUQFS-LBPRGKRZSA-N 2 2 268.405 0.851 20 0 CCADLP CCCC1(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000580293467 390235001 /nfs/dbraw/zinc/23/50/01/390235001.db2.gz PSWYHXMKBDUQFS-LBPRGKRZSA-N 2 2 268.405 0.851 20 0 CCADLP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](C)C[C@H]1C[NH3+] ZINC000580293779 390235145 /nfs/dbraw/zinc/23/51/45/390235145.db2.gz QPEAIAWUZSMGNT-UONOGXRCSA-N 3 2 299.463 0.391 20 0 CCADLP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](C)C[C@H]1C[NH3+] ZINC000580293779 390235147 /nfs/dbraw/zinc/23/51/47/390235147.db2.gz QPEAIAWUZSMGNT-UONOGXRCSA-N 3 2 299.463 0.391 20 0 CCADLP CCC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000580293779 390235153 /nfs/dbraw/zinc/23/51/53/390235153.db2.gz QPEAIAWUZSMGNT-UONOGXRCSA-N 3 2 299.463 0.391 20 0 CCADLP CCC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000580293779 390235155 /nfs/dbraw/zinc/23/51/55/390235155.db2.gz QPEAIAWUZSMGNT-UONOGXRCSA-N 3 2 299.463 0.391 20 0 CCADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCn1cc[nH+]c1 ZINC000644520654 390243214 /nfs/dbraw/zinc/24/32/14/390243214.db2.gz VZBQQEYGOBROEI-MRXNPFEDSA-N 3 2 288.395 0.966 20 0 CCADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCn1cc[nH+]c1 ZINC000644520654 390243218 /nfs/dbraw/zinc/24/32/18/390243218.db2.gz VZBQQEYGOBROEI-MRXNPFEDSA-N 3 2 288.395 0.966 20 0 CCADLP Cn1cc(C(C)(C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cn1 ZINC000580297985 390234777 /nfs/dbraw/zinc/23/47/77/390234777.db2.gz GAXFDDZZTSISPQ-ZDUSSCGKSA-N 2 2 266.389 0.700 20 0 CCADLP Cn1cc(C(C)(C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cn1 ZINC000580297985 390234779 /nfs/dbraw/zinc/23/47/79/390234779.db2.gz GAXFDDZZTSISPQ-ZDUSSCGKSA-N 2 2 266.389 0.700 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)CC[C@H]2CC[NH2+]C2)CCO1 ZINC000580835715 390248830 /nfs/dbraw/zinc/24/88/30/390248830.db2.gz LZAHGXZIIBUHPW-OLZOCXBDSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)CC[C@H]2CC[NH2+]C2)CCO1 ZINC000580835715 390248832 /nfs/dbraw/zinc/24/88/32/390248832.db2.gz LZAHGXZIIBUHPW-OLZOCXBDSA-N 2 2 269.389 0.213 20 0 CCADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000648039757 390260585 /nfs/dbraw/zinc/26/05/85/390260585.db2.gz SVQGJNQROZIOKN-UONOGXRCSA-N 2 2 293.415 0.361 20 0 CCADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000648039757 390260586 /nfs/dbraw/zinc/26/05/86/390260586.db2.gz SVQGJNQROZIOKN-UONOGXRCSA-N 2 2 293.415 0.361 20 0 CCADLP C[C@H](C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)S(C)(=O)=O ZINC000582117137 390261140 /nfs/dbraw/zinc/26/11/40/390261140.db2.gz FPWZQYSASCKGMX-WOPDTQHZSA-N 2 2 262.419 0.882 20 0 CCADLP OC[C@@H]1CCC[C@H]([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000582175449 390265341 /nfs/dbraw/zinc/26/53/41/390265341.db2.gz NWROZLZGKFTRKN-BEAPCOKYSA-N 2 2 268.401 0.894 20 0 CCADLP CCn1c[nH+]cc1CN1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000648066941 390269568 /nfs/dbraw/zinc/26/95/68/390269568.db2.gz XDUWDGBYIALPDH-GFCCVEGCSA-N 2 2 279.388 0.455 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC23CCC(CC2)C3)[C@@H](C[NH3+])C1 ZINC000582231123 390270936 /nfs/dbraw/zinc/27/09/36/390270936.db2.gz MBIOJDGBKBMZNL-OWYJLGKBSA-N 2 2 280.416 0.851 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC23CCC(CC2)C3)[C@@H](C[NH3+])C1 ZINC000582231123 390270937 /nfs/dbraw/zinc/27/09/37/390270937.db2.gz MBIOJDGBKBMZNL-OWYJLGKBSA-N 2 2 280.416 0.851 20 0 CCADLP C[C@H](CC(=O)NC[C@H]1C[NH2+]CCCO1)n1cc[nH+]c1 ZINC000582248376 390274181 /nfs/dbraw/zinc/27/41/81/390274181.db2.gz ATYSAPHNJGYJKA-VXGBXAGGSA-N 2 2 266.345 0.329 20 0 CCADLP COc1ccncc1C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000583626034 390300160 /nfs/dbraw/zinc/30/01/60/390300160.db2.gz BVEQXKRNKLMYSG-CYBMUJFWSA-N 2 2 265.357 0.635 20 0 CCADLP COc1ccncc1C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000583626034 390300162 /nfs/dbraw/zinc/30/01/62/390300162.db2.gz BVEQXKRNKLMYSG-CYBMUJFWSA-N 2 2 265.357 0.635 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CN2CCOC2=O)C1 ZINC000496126368 390304319 /nfs/dbraw/zinc/30/43/19/390304319.db2.gz SSQNFQRKEWFPGY-OLZOCXBDSA-N 2 2 285.388 0.073 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CN2CCOC2=O)C1 ZINC000496126368 390304321 /nfs/dbraw/zinc/30/43/21/390304321.db2.gz SSQNFQRKEWFPGY-OLZOCXBDSA-N 2 2 285.388 0.073 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](CN2CCOC2=O)C1 ZINC000496126368 390304325 /nfs/dbraw/zinc/30/43/25/390304325.db2.gz SSQNFQRKEWFPGY-OLZOCXBDSA-N 2 2 285.388 0.073 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](CN2CCOC2=O)C1 ZINC000496126368 390304327 /nfs/dbraw/zinc/30/43/27/390304327.db2.gz SSQNFQRKEWFPGY-OLZOCXBDSA-N 2 2 285.388 0.073 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000583876441 390320783 /nfs/dbraw/zinc/32/07/83/390320783.db2.gz RYWTXDRKNOIMIM-KGLIPLIRSA-N 2 2 293.415 0.586 20 0 CCADLP C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000583928621 390323781 /nfs/dbraw/zinc/32/37/81/390323781.db2.gz LSFBEVZPGUEUKB-YUELXQCFSA-N 3 2 267.417 0.685 20 0 CCADLP C[N@H+]1CCC[C@H](C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000583928621 390323782 /nfs/dbraw/zinc/32/37/82/390323782.db2.gz LSFBEVZPGUEUKB-YUELXQCFSA-N 3 2 267.417 0.685 20 0 CCADLP C[N@@H+]1CCC[C@H](CN[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000583928621 390323783 /nfs/dbraw/zinc/32/37/83/390323783.db2.gz LSFBEVZPGUEUKB-YUELXQCFSA-N 2 2 267.417 0.685 20 0 CCADLP C[N@H+]1CCC[C@H](CN[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000583928621 390323785 /nfs/dbraw/zinc/32/37/85/390323785.db2.gz LSFBEVZPGUEUKB-YUELXQCFSA-N 2 2 267.417 0.685 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)c2c[nH+]ccc2N(C)C)CCO1 ZINC000545379738 390326601 /nfs/dbraw/zinc/32/66/01/390326601.db2.gz DIVDSGYCLVMNBR-LBPRGKRZSA-N 2 2 292.383 0.598 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)c2c[nH+]ccc2N(C)C)CCO1 ZINC000545379738 390326604 /nfs/dbraw/zinc/32/66/04/390326604.db2.gz DIVDSGYCLVMNBR-LBPRGKRZSA-N 2 2 292.383 0.598 20 0 CCADLP O=C1NCC[C@@]12CCC[N@@H+]2CCC[NH+]1CCCC1 ZINC000583942940 390326689 /nfs/dbraw/zinc/32/66/89/390326689.db2.gz SJICUZVKDGVNQD-AWEZNQCLSA-N 2 2 251.374 0.827 20 0 CCADLP O=C1NCC[C@@]12CCC[N@H+]2CCC[NH+]1CCCC1 ZINC000583942940 390326692 /nfs/dbraw/zinc/32/66/92/390326692.db2.gz SJICUZVKDGVNQD-AWEZNQCLSA-N 2 2 251.374 0.827 20 0 CCADLP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CS(=O)(=O)CCO1 ZINC000545353258 390326713 /nfs/dbraw/zinc/32/67/13/390326713.db2.gz SMEYDORFGSBMND-GFCCVEGCSA-N 2 2 299.396 0.051 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc3[nH]cnc3c2)C1 ZINC000545855310 390332228 /nfs/dbraw/zinc/33/22/28/390332228.db2.gz COJAJJWKHKYGQU-AWEZNQCLSA-N 2 2 260.341 0.719 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc3[nH]cnc3c2)C1 ZINC000545855310 390332231 /nfs/dbraw/zinc/33/22/31/390332231.db2.gz COJAJJWKHKYGQU-AWEZNQCLSA-N 2 2 260.341 0.719 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc3nc[nH]c3c2)C1 ZINC000545855310 390332233 /nfs/dbraw/zinc/33/22/33/390332233.db2.gz COJAJJWKHKYGQU-AWEZNQCLSA-N 2 2 260.341 0.719 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc3nc[nH]c3c2)C1 ZINC000545855310 390332236 /nfs/dbraw/zinc/33/22/36/390332236.db2.gz COJAJJWKHKYGQU-AWEZNQCLSA-N 2 2 260.341 0.719 20 0 CCADLP CCOC[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000584002263 390332436 /nfs/dbraw/zinc/33/24/36/390332436.db2.gz RIPBWQJNUTXRQT-KBPBESRZSA-N 2 2 274.405 0.284 20 0 CCADLP CCOC[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)C1 ZINC000584002263 390332438 /nfs/dbraw/zinc/33/24/38/390332438.db2.gz RIPBWQJNUTXRQT-KBPBESRZSA-N 2 2 274.405 0.284 20 0 CCADLP CCOC[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)C1 ZINC000584002263 390332439 /nfs/dbraw/zinc/33/24/39/390332439.db2.gz RIPBWQJNUTXRQT-KBPBESRZSA-N 2 2 274.405 0.284 20 0 CCADLP CCOC[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)C1 ZINC000584002263 390332441 /nfs/dbraw/zinc/33/24/41/390332441.db2.gz RIPBWQJNUTXRQT-KBPBESRZSA-N 2 2 274.405 0.284 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC1(C[NH+](C)C)CCC1 ZINC000545992064 390341099 /nfs/dbraw/zinc/34/10/99/390341099.db2.gz SWOIEAJQADRNIZ-UHFFFAOYSA-N 2 2 250.346 0.563 20 0 CCADLP C[NH+]1CCCC[C@@H]1CCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000584409870 390341299 /nfs/dbraw/zinc/34/12/99/390341299.db2.gz XXKVHCBXACJCHG-KGLIPLIRSA-N 3 2 282.432 0.352 20 0 CCADLP C[NH+]1CCCC[C@@H]1CCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000584409870 390341304 /nfs/dbraw/zinc/34/13/04/390341304.db2.gz XXKVHCBXACJCHG-KGLIPLIRSA-N 3 2 282.432 0.352 20 0 CCADLP C[NH+]1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)[C@@H](C[NH3+])C1 ZINC000584409870 390341308 /nfs/dbraw/zinc/34/13/08/390341308.db2.gz XXKVHCBXACJCHG-KGLIPLIRSA-N 3 2 282.432 0.352 20 0 CCADLP C[NH+]1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)[C@@H](C[NH3+])C1 ZINC000584409870 390341312 /nfs/dbraw/zinc/34/13/12/390341312.db2.gz XXKVHCBXACJCHG-KGLIPLIRSA-N 3 2 282.432 0.352 20 0 CCADLP CC1=CC[NH+](CCNC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000546567286 390350166 /nfs/dbraw/zinc/35/01/66/390350166.db2.gz YGLLSHRWVSHQGF-CQSZACIVSA-N 2 2 296.415 0.268 20 0 CCADLP CC1=CC[N@H+](CCNC(=O)NC[C@@H]2C[NH+](C)CCO2)CC1 ZINC000546567286 390350174 /nfs/dbraw/zinc/35/01/74/390350174.db2.gz YGLLSHRWVSHQGF-CQSZACIVSA-N 2 2 296.415 0.268 20 0 CCADLP CC1=CC[N@@H+](CCNC(=O)NC[C@@H]2C[NH+](C)CCO2)CC1 ZINC000546567286 390350179 /nfs/dbraw/zinc/35/01/79/390350179.db2.gz YGLLSHRWVSHQGF-CQSZACIVSA-N 2 2 296.415 0.268 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000496766081 390360495 /nfs/dbraw/zinc/36/04/95/390360495.db2.gz ZWRFMDWOWAKOIP-LBPRGKRZSA-N 2 2 264.329 0.489 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000496766081 390360497 /nfs/dbraw/zinc/36/04/97/390360497.db2.gz ZWRFMDWOWAKOIP-LBPRGKRZSA-N 2 2 264.329 0.489 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNc1nc(N)[nH+]c2c1CCCC2 ZINC000645157010 390379419 /nfs/dbraw/zinc/37/94/19/390379419.db2.gz GICRNZBIYQXKBO-NSHDSACASA-N 2 2 291.399 0.322 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNc1nc(N)[nH+]c2c1CCCC2 ZINC000645157010 390379421 /nfs/dbraw/zinc/37/94/21/390379421.db2.gz GICRNZBIYQXKBO-NSHDSACASA-N 2 2 291.399 0.322 20 0 CCADLP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[NH+]1CCOCC1 ZINC000648713670 390393592 /nfs/dbraw/zinc/39/35/92/390393592.db2.gz SPQPZRQEBAEDNG-CYBMUJFWSA-N 2 2 294.399 0.845 20 0 CCADLP [NH3+]CCOCC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000645257350 390397789 /nfs/dbraw/zinc/39/77/89/390397789.db2.gz ILZKTENNWHFVIN-UHFFFAOYSA-N 2 2 288.351 0.523 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648735265 390397805 /nfs/dbraw/zinc/39/78/05/390397805.db2.gz IACXKVBDSWWLBM-YNEHKIRRSA-N 2 2 269.389 0.164 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648735265 390397808 /nfs/dbraw/zinc/39/78/08/390397808.db2.gz IACXKVBDSWWLBM-YNEHKIRRSA-N 2 2 269.389 0.164 20 0 CCADLP CCOC(=O)N1CC[C@H]([NH2+][C@H](C)C[C@H]2COCC[NH2+]2)C1 ZINC000496994190 390398990 /nfs/dbraw/zinc/39/89/90/390398990.db2.gz FUKXPONKKKRRED-AGIUHOORSA-N 2 2 285.388 0.574 20 0 CCADLP O=C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NC[C@H]1CCCO1 ZINC000517371636 390490121 /nfs/dbraw/zinc/49/01/21/390490121.db2.gz DDEABFLBZOPPNQ-HIFRSBDPSA-N 2 2 281.400 0.357 20 0 CCADLP O=C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NC[C@H]1CCCO1 ZINC000517371636 390490122 /nfs/dbraw/zinc/49/01/22/390490122.db2.gz DDEABFLBZOPPNQ-HIFRSBDPSA-N 2 2 281.400 0.357 20 0 CCADLP CC(C)OC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000519400861 390498837 /nfs/dbraw/zinc/49/88/37/390498837.db2.gz UEPRCPVMJLNUOZ-KBPBESRZSA-N 2 2 274.405 0.209 20 0 CCADLP CC(C)OC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000519400861 390498841 /nfs/dbraw/zinc/49/88/41/390498841.db2.gz UEPRCPVMJLNUOZ-KBPBESRZSA-N 2 2 274.405 0.209 20 0 CCADLP CC(C)OC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000519400862 390499010 /nfs/dbraw/zinc/49/90/10/390499010.db2.gz UEPRCPVMJLNUOZ-KGLIPLIRSA-N 2 2 274.405 0.209 20 0 CCADLP CC(C)OC[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000519400862 390499013 /nfs/dbraw/zinc/49/90/13/390499013.db2.gz UEPRCPVMJLNUOZ-KGLIPLIRSA-N 2 2 274.405 0.209 20 0 CCADLP C[C@@H](O)C[C@H]1COCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000565313085 390503031 /nfs/dbraw/zinc/50/30/31/390503031.db2.gz ZJNIFGPQIMGMEH-OCCSQVGLSA-N 2 2 267.373 0.824 20 0 CCADLP C[C@@H](O)C[C@H]1COCC[N@H+]1CCCc1c[nH+]cn1C ZINC000565313085 390503036 /nfs/dbraw/zinc/50/30/36/390503036.db2.gz ZJNIFGPQIMGMEH-OCCSQVGLSA-N 2 2 267.373 0.824 20 0 CCADLP COC(=O)[C@@](C)(O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000519543132 390507155 /nfs/dbraw/zinc/50/71/55/390507155.db2.gz GDEPWZUFGSYSMY-GWCFXTLKSA-N 2 2 267.329 0.133 20 0 CCADLP COC(=O)[C@@](C)(O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000519543132 390507158 /nfs/dbraw/zinc/50/71/58/390507158.db2.gz GDEPWZUFGSYSMY-GWCFXTLKSA-N 2 2 267.329 0.133 20 0 CCADLP C[C@H](C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)[NH+]1CC(C)C1 ZINC000519562191 390510303 /nfs/dbraw/zinc/51/03/03/390510303.db2.gz WUNVBKSJIMLZMD-CQSZACIVSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@H](C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)[NH+]1CC(C)C1 ZINC000519562191 390510306 /nfs/dbraw/zinc/51/03/06/390510306.db2.gz WUNVBKSJIMLZMD-CQSZACIVSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H](CO)Cc1ccco1 ZINC000643450990 390447098 /nfs/dbraw/zinc/44/70/98/390447098.db2.gz PQKJBNNDCANUAQ-MGPQQGTHSA-N 2 2 282.384 0.787 20 0 CCADLP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH+]1CCOCC1 ZINC000555227327 390450364 /nfs/dbraw/zinc/45/03/64/390450364.db2.gz ZIPWORXVZLURPO-RYUDHWBXSA-N 2 2 266.345 0.109 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000643471627 390450789 /nfs/dbraw/zinc/45/07/89/390450789.db2.gz VNHNBKLPDNIZIL-KBPBESRZSA-N 3 2 268.449 0.600 20 0 CCADLP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000643472143 390451573 /nfs/dbraw/zinc/45/15/73/390451573.db2.gz ZTVUOKJYLFHUPJ-KKUMJFAQSA-N 3 2 269.433 0.811 20 0 CCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]([NH3+])c1cscn1 ZINC000649332251 390588725 /nfs/dbraw/zinc/58/87/25/390588725.db2.gz JRJSMEPZIKXSOM-SCZZXKLOSA-N 2 2 254.359 0.305 20 0 CCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]([NH3+])c1cscn1 ZINC000649332251 390588729 /nfs/dbraw/zinc/58/87/29/390588729.db2.gz JRJSMEPZIKXSOM-SCZZXKLOSA-N 2 2 254.359 0.305 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@@H](C)[NH+]2CC(C)C2)[C@@H](C)C1 ZINC000565726984 390540727 /nfs/dbraw/zinc/54/07/27/390540727.db2.gz XMISPSPASJZBAD-QWHCGFSZSA-N 2 2 253.390 0.879 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@@H](C)[NH+]2CC(C)C2)[C@@H](C)C1 ZINC000565726984 390540731 /nfs/dbraw/zinc/54/07/31/390540731.db2.gz XMISPSPASJZBAD-QWHCGFSZSA-N 2 2 253.390 0.879 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCCn1cc[nH+]c1 ZINC000565759864 390541664 /nfs/dbraw/zinc/54/16/64/390541664.db2.gz JSALKVMJLADJML-GFCCVEGCSA-N 2 2 265.361 0.619 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCCn1cc[nH+]c1 ZINC000565759864 390541666 /nfs/dbraw/zinc/54/16/66/390541666.db2.gz JSALKVMJLADJML-GFCCVEGCSA-N 2 2 265.361 0.619 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000649278800 390545425 /nfs/dbraw/zinc/54/54/25/390545425.db2.gz CQDRLYYPHWDKCL-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP O=C(NCCn1cc[nH+]c1)[C@H]1C[NH2+]CCC1(F)F ZINC000649279612 390546421 /nfs/dbraw/zinc/54/64/21/390546421.db2.gz COLYQLUZWDLQFM-SECBINFHSA-N 2 2 258.272 0.244 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCC(C)(C)[NH3+])C2)CC1 ZINC000649334022 390590436 /nfs/dbraw/zinc/59/04/36/390590436.db2.gz CKDDEZJOHMTTLR-CYBMUJFWSA-N 3 2 296.459 0.789 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCC(C)(C)[NH3+])C2)CC1 ZINC000649334022 390590439 /nfs/dbraw/zinc/59/04/39/390590439.db2.gz CKDDEZJOHMTTLR-CYBMUJFWSA-N 3 2 296.459 0.789 20 0 CCADLP CC(=O)[C@](C)(O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000649287185 390552235 /nfs/dbraw/zinc/55/22/35/390552235.db2.gz LZPNEMQNVRBPPR-CHWSQXEVSA-N 2 2 251.330 0.860 20 0 CCADLP CC(=O)[C@](C)(O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000649287185 390552236 /nfs/dbraw/zinc/55/22/36/390552236.db2.gz LZPNEMQNVRBPPR-CHWSQXEVSA-N 2 2 251.330 0.860 20 0 CCADLP [NH3+]CCn1nnc([C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000646066462 390590813 /nfs/dbraw/zinc/59/08/13/390590813.db2.gz RPHDCQLJTOBQPY-CYBMUJFWSA-N 2 2 288.355 0.205 20 0 CCADLP [NH3+]CCn1nnc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000646066462 390590817 /nfs/dbraw/zinc/59/08/17/390590817.db2.gz RPHDCQLJTOBQPY-CYBMUJFWSA-N 2 2 288.355 0.205 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3[NH2+]CC3(C)C)C2)CC1 ZINC000645977673 390555858 /nfs/dbraw/zinc/55/58/58/390555858.db2.gz HWZNJBYXDZDTDH-OCCSQVGLSA-N 3 2 294.443 0.269 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3[NH2+]CC3(C)C)C2)CC1 ZINC000645977673 390555860 /nfs/dbraw/zinc/55/58/60/390555860.db2.gz HWZNJBYXDZDTDH-OCCSQVGLSA-N 3 2 294.443 0.269 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645978155 390557100 /nfs/dbraw/zinc/55/71/00/390557100.db2.gz VRJWHAPFIFQWPR-KGLIPLIRSA-N 3 2 296.459 0.659 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645978155 390557104 /nfs/dbraw/zinc/55/71/04/390557104.db2.gz VRJWHAPFIFQWPR-KGLIPLIRSA-N 3 2 296.459 0.659 20 0 CCADLP COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000520248192 390562265 /nfs/dbraw/zinc/56/22/65/390562265.db2.gz SEDPZYVVHLQGRX-STQMWFEESA-N 2 2 281.356 0.351 20 0 CCADLP COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000520248192 390562268 /nfs/dbraw/zinc/56/22/68/390562268.db2.gz SEDPZYVVHLQGRX-STQMWFEESA-N 2 2 281.356 0.351 20 0 CCADLP C[NH2+]C[C@H](C)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000649306308 390566203 /nfs/dbraw/zinc/56/62/03/390566203.db2.gz LJIUIHZUNGJLJB-LBPRGKRZSA-N 2 2 261.369 0.974 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)CNC2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000520396654 390570263 /nfs/dbraw/zinc/57/02/63/390570263.db2.gz AZTGMHUGKWHXRB-NFAWXSAZSA-N 2 2 285.432 0.140 20 0 CCADLP C[NH2+][C@@H](C)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000566471800 390617921 /nfs/dbraw/zinc/61/79/21/390617921.db2.gz SIEDIQZNKICFEA-ZETCQYMHSA-N 2 2 254.359 0.677 20 0 CCADLP C[NH2+][C@@H](C)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000566471800 390617924 /nfs/dbraw/zinc/61/79/24/390617924.db2.gz SIEDIQZNKICFEA-ZETCQYMHSA-N 2 2 254.359 0.677 20 0 CCADLP Cc1nsc(C)c1C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000522011564 390621120 /nfs/dbraw/zinc/62/11/20/390621120.db2.gz PGPQYGUFCIENDI-UHFFFAOYSA-N 2 2 296.440 0.966 20 0 CCADLP CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CC(C)C2)CC1 ZINC000566628620 390635028 /nfs/dbraw/zinc/63/50/28/390635028.db2.gz IIMIBUCSVBZIEA-ZIAGYGMSSA-N 2 2 283.416 0.242 20 0 CCADLP CO[C@H]1C[C@H]2C[C@H]([NH2+]CC(=O)N3CC[NH+](C)CC3)C[C@H]2C1 ZINC000643882719 390594215 /nfs/dbraw/zinc/59/42/15/390594215.db2.gz IFJDDAKNOQMOFR-ZJIFFRHRSA-N 2 2 295.427 0.554 20 0 CCADLP CN(CC1CC1)C(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104822 390598946 /nfs/dbraw/zinc/59/89/46/390598946.db2.gz YZHLRPHEQSHGNO-UHFFFAOYSA-N 2 2 295.427 0.651 20 0 CCADLP CN(CC1CC1)C(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104822 390598949 /nfs/dbraw/zinc/59/89/49/390598949.db2.gz YZHLRPHEQSHGNO-UHFFFAOYSA-N 2 2 295.427 0.651 20 0 CCADLP O=C1COc2ccc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)cc2N1 ZINC000646104986 390599846 /nfs/dbraw/zinc/59/98/46/390599846.db2.gz CAFWWSXJBOCSMM-VXGBXAGGSA-N 2 2 273.336 0.669 20 0 CCADLP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649347985 390601445 /nfs/dbraw/zinc/60/14/45/390601445.db2.gz WKABGODVJFQUPY-QMMMGPOBSA-N 2 2 258.272 0.579 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000566429003 390603747 /nfs/dbraw/zinc/60/37/47/390603747.db2.gz NXGTXIYWXWNRTO-RDBSUJKOSA-N 2 2 272.389 0.036 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000566429003 390603752 /nfs/dbraw/zinc/60/37/52/390603752.db2.gz NXGTXIYWXWNRTO-RDBSUJKOSA-N 2 2 272.389 0.036 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000566429003 390603753 /nfs/dbraw/zinc/60/37/53/390603753.db2.gz NXGTXIYWXWNRTO-RDBSUJKOSA-N 2 2 272.389 0.036 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000566429003 390603757 /nfs/dbraw/zinc/60/37/57/390603757.db2.gz NXGTXIYWXWNRTO-RDBSUJKOSA-N 2 2 272.389 0.036 20 0 CCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]([NH3+])c2cscn2)C1 ZINC000646124718 390611230 /nfs/dbraw/zinc/61/12/30/390611230.db2.gz UUDCWAZRYULRMA-ZYHUDNBSSA-N 2 2 282.413 0.943 20 0 CCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]([NH3+])c2cscn2)C1 ZINC000646124718 390611232 /nfs/dbraw/zinc/61/12/32/390611232.db2.gz UUDCWAZRYULRMA-ZYHUDNBSSA-N 2 2 282.413 0.943 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCCc2ccccn2)[C@@H](C[NH3+])C1 ZINC000570815265 390719790 /nfs/dbraw/zinc/71/97/90/390719790.db2.gz JYHCCPDUVGREFS-AWEZNQCLSA-N 2 2 291.399 0.299 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCCc2ccccn2)[C@@H](C[NH3+])C1 ZINC000570815265 390719792 /nfs/dbraw/zinc/71/97/92/390719792.db2.gz JYHCCPDUVGREFS-AWEZNQCLSA-N 2 2 291.399 0.299 20 0 CCADLP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+]([C@H]2COC[C@H]2O)C1 ZINC000567007423 390665156 /nfs/dbraw/zinc/66/51/56/390665156.db2.gz GMYJGGMXJLEUFH-HRCADAONSA-N 2 2 291.395 0.595 20 0 CCADLP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+]([C@H]2COC[C@H]2O)C1 ZINC000567007423 390665159 /nfs/dbraw/zinc/66/51/59/390665159.db2.gz GMYJGGMXJLEUFH-HRCADAONSA-N 2 2 291.395 0.595 20 0 CCADLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+]([C@H]2COC[C@H]2O)C1 ZINC000567007423 390665162 /nfs/dbraw/zinc/66/51/62/390665162.db2.gz GMYJGGMXJLEUFH-HRCADAONSA-N 2 2 291.395 0.595 20 0 CCADLP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+]([C@H]2COC[C@H]2O)C1 ZINC000567007423 390665163 /nfs/dbraw/zinc/66/51/63/390665163.db2.gz GMYJGGMXJLEUFH-HRCADAONSA-N 2 2 291.395 0.595 20 0 CCADLP O=C(C[NH2+]C1CC1)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000567474366 390700343 /nfs/dbraw/zinc/70/03/43/390700343.db2.gz AKQNJEYGXGLPGR-UHFFFAOYSA-N 2 2 289.379 0.788 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000571892646 390757830 /nfs/dbraw/zinc/75/78/30/390757830.db2.gz JXTSKOFSIQBKOZ-AGIUHOORSA-N 2 2 294.399 0.814 20 0 CCADLP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCCCn1cc[nH+]c1 ZINC000572034173 390764726 /nfs/dbraw/zinc/76/47/26/390764726.db2.gz XPINDODBUJJZRJ-MNOVXSKESA-N 2 2 253.350 0.698 20 0 CCADLP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000647058367 390767528 /nfs/dbraw/zinc/76/75/28/390767528.db2.gz DIKDJSIXMJTZCX-SGMGOOAPSA-N 2 2 299.390 0.446 20 0 CCADLP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000647058367 390767529 /nfs/dbraw/zinc/76/75/29/390767529.db2.gz DIKDJSIXMJTZCX-SGMGOOAPSA-N 2 2 299.390 0.446 20 0 CCADLP Cc1cc[nH+]c(C)c1NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000528691823 390769018 /nfs/dbraw/zinc/76/90/18/390769018.db2.gz OIPPTTLSXAJCOQ-LLVKDONJSA-N 2 2 264.329 0.808 20 0 CCADLP C[C@@H](O)CC[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528727840 390771632 /nfs/dbraw/zinc/77/16/32/390771632.db2.gz VXDHWKCRBQKGKE-CYBMUJFWSA-N 2 2 256.390 0.944 20 0 CCADLP C[N@@H+]1CCN(C(=O)COc2ccc(C#N)cc2)[C@H](C[NH3+])C1 ZINC000572252822 390774435 /nfs/dbraw/zinc/77/44/35/390774435.db2.gz WOOUAGPZOMKVMS-CYBMUJFWSA-N 2 2 288.351 0.038 20 0 CCADLP C[N@H+]1CCN(C(=O)COc2ccc(C#N)cc2)[C@H](C[NH3+])C1 ZINC000572252822 390774437 /nfs/dbraw/zinc/77/44/37/390774437.db2.gz WOOUAGPZOMKVMS-CYBMUJFWSA-N 2 2 288.351 0.038 20 0 CCADLP C[C@H]1CC(F)(F)CC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000528769474 390776464 /nfs/dbraw/zinc/77/64/64/390776464.db2.gz QKKGEDKTXXGZEG-NSHDSACASA-N 2 2 275.343 0.880 20 0 CCADLP C[C@H]1CC(F)(F)CC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000528769474 390776465 /nfs/dbraw/zinc/77/64/65/390776465.db2.gz QKKGEDKTXXGZEG-NSHDSACASA-N 2 2 275.343 0.880 20 0 CCADLP C[C@@H](CNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1)[NH+](C)C ZINC000572304540 390777535 /nfs/dbraw/zinc/77/75/35/390777535.db2.gz SYIYBLLGNQXFSA-JTQLQIEISA-N 2 2 289.339 0.339 20 0 CCADLP CC[N@@H+]1CCO[C@@H](c2nc([C@H]3CCC[NH2+]3)no2)C1 ZINC000647149737 390780213 /nfs/dbraw/zinc/78/02/13/390780213.db2.gz QTANNNUFMPRIII-NXEZZACHSA-N 2 2 252.318 0.887 20 0 CCADLP CC[N@H+]1CCO[C@@H](c2nc([C@H]3CCC[NH2+]3)no2)C1 ZINC000647149737 390780214 /nfs/dbraw/zinc/78/02/14/390780214.db2.gz QTANNNUFMPRIII-NXEZZACHSA-N 2 2 252.318 0.887 20 0 CCADLP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H](C)CO)c2cc1C ZINC000572404350 390782276 /nfs/dbraw/zinc/78/22/76/390782276.db2.gz HKUFHISVOSCLJM-CHWSQXEVSA-N 2 2 277.368 0.984 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)CO1 ZINC000647183854 390784392 /nfs/dbraw/zinc/78/43/92/390784392.db2.gz PVKNDBKNRABIAU-QLFBSQMISA-N 2 2 283.416 0.160 20 0 CCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+] ZINC000572499275 390786506 /nfs/dbraw/zinc/78/65/06/390786506.db2.gz MESBRQFVLLSTPS-OLZOCXBDSA-N 3 2 285.436 0.001 20 0 CCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC[NH+](C)C[C@@H]1C[NH3+] ZINC000572499275 390786507 /nfs/dbraw/zinc/78/65/07/390786507.db2.gz MESBRQFVLLSTPS-OLZOCXBDSA-N 3 2 285.436 0.001 20 0 CCADLP CC[C@@H](C)[NH+](C)CCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000572499275 390786508 /nfs/dbraw/zinc/78/65/08/390786508.db2.gz MESBRQFVLLSTPS-OLZOCXBDSA-N 3 2 285.436 0.001 20 0 CCADLP CC[C@@H](C)[NH+](C)CCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000572499275 390786509 /nfs/dbraw/zinc/78/65/09/390786509.db2.gz MESBRQFVLLSTPS-OLZOCXBDSA-N 3 2 285.436 0.001 20 0 CCADLP C[C@H](F)CC[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000572631705 390793119 /nfs/dbraw/zinc/79/31/19/390793119.db2.gz CKNVFNPLTDXRNT-RVMXOQNASA-N 2 2 262.369 0.794 20 0 CCADLP C[C@H](F)CC[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000572631705 390793121 /nfs/dbraw/zinc/79/31/21/390793121.db2.gz CKNVFNPLTDXRNT-RVMXOQNASA-N 2 2 262.369 0.794 20 0 CCADLP [NH3+][C@H](C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1cscn1 ZINC000572635729 390793754 /nfs/dbraw/zinc/79/37/54/390793754.db2.gz DWSBQGYDZFQEPQ-PWSUYJOCSA-N 2 2 280.397 0.840 20 0 CCADLP [NH3+][C@H](C(=O)N1CC[N@H+]2CCCC[C@@H]2C1)c1cscn1 ZINC000572635729 390793756 /nfs/dbraw/zinc/79/37/56/390793756.db2.gz DWSBQGYDZFQEPQ-PWSUYJOCSA-N 2 2 280.397 0.840 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCO[C@@H](C(C)(C)C)C1 ZINC000572732187 390800069 /nfs/dbraw/zinc/80/00/69/390800069.db2.gz YUFDZNQCMBDNFY-UONOGXRCSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCO[C@@H](C(C)(C)C)C1 ZINC000572732187 390800072 /nfs/dbraw/zinc/80/00/72/390800072.db2.gz YUFDZNQCMBDNFY-UONOGXRCSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000572732187 390800074 /nfs/dbraw/zinc/80/00/74/390800074.db2.gz YUFDZNQCMBDNFY-UONOGXRCSA-N 2 2 288.432 0.672 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000572732187 390800075 /nfs/dbraw/zinc/80/00/75/390800075.db2.gz YUFDZNQCMBDNFY-UONOGXRCSA-N 2 2 288.432 0.672 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000572735610 390800432 /nfs/dbraw/zinc/80/04/32/390800432.db2.gz ZZBMYHGNVWODDJ-GMXVVIOVSA-N 2 2 262.357 0.751 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000572735610 390800434 /nfs/dbraw/zinc/80/04/34/390800434.db2.gz ZZBMYHGNVWODDJ-GMXVVIOVSA-N 2 2 262.357 0.751 20 0 CCADLP CCC[N@H+](CC)C[C@H](C)NC[C@H](O)C[NH+]1CCOCC1 ZINC000571552577 390741261 /nfs/dbraw/zinc/74/12/61/390741261.db2.gz STGOSSWKLJQEHU-GJZGRUSLSA-N 2 2 287.448 0.390 20 0 CCADLP CCC[N@@H+](CC)C[C@H](C)NC[C@H](O)C[NH+]1CCOCC1 ZINC000571552577 390741262 /nfs/dbraw/zinc/74/12/62/390741262.db2.gz STGOSSWKLJQEHU-GJZGRUSLSA-N 2 2 287.448 0.390 20 0 CCADLP C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)nn3)[C@@H]2C1 ZINC000646922077 390741991 /nfs/dbraw/zinc/74/19/91/390741991.db2.gz JKCFQOCMGNAGJI-DGCLKSJQSA-N 2 2 298.350 0.438 20 0 CCADLP C[N@H+]1C[C@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)nn3)[C@@H]2C1 ZINC000646922077 390741993 /nfs/dbraw/zinc/74/19/93/390741993.db2.gz JKCFQOCMGNAGJI-DGCLKSJQSA-N 2 2 298.350 0.438 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@]2(CNC(=O)C2)C1)C1CC1 ZINC000571569767 390742194 /nfs/dbraw/zinc/74/21/94/390742194.db2.gz ISVBFJNCUGWDMN-UKRRQHHQSA-N 2 2 281.400 0.044 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@]2(CNC(=O)C2)C1)C1CC1 ZINC000571569767 390742195 /nfs/dbraw/zinc/74/21/95/390742195.db2.gz ISVBFJNCUGWDMN-UKRRQHHQSA-N 2 2 281.400 0.044 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1)C1CC1 ZINC000571569767 390742197 /nfs/dbraw/zinc/74/21/97/390742197.db2.gz ISVBFJNCUGWDMN-UKRRQHHQSA-N 2 2 281.400 0.044 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@]2(CNC(=O)C2)C1)C1CC1 ZINC000571569767 390742198 /nfs/dbraw/zinc/74/21/98/390742198.db2.gz ISVBFJNCUGWDMN-UKRRQHHQSA-N 2 2 281.400 0.044 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000571580586 390743080 /nfs/dbraw/zinc/74/30/80/390743080.db2.gz ZEDUMUBXTLZUAE-UHFFFAOYSA-N 2 2 274.328 0.414 20 0 CCADLP C[N@@H+]1CCc2nc(NC(=O)C3(C)C[NH2+]C3)sc2C1 ZINC000578008719 390858725 /nfs/dbraw/zinc/85/87/25/390858725.db2.gz VPZMFKKRZVWZTK-UHFFFAOYSA-N 2 2 266.370 0.679 20 0 CCADLP C[N@H+]1CCc2nc(NC(=O)C3(C)C[NH2+]C3)sc2C1 ZINC000578008719 390858727 /nfs/dbraw/zinc/85/87/27/390858727.db2.gz VPZMFKKRZVWZTK-UHFFFAOYSA-N 2 2 266.370 0.679 20 0 CCADLP O=C1C[C@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CN1C1CC1 ZINC000578185565 390868798 /nfs/dbraw/zinc/86/87/98/390868798.db2.gz WLFQIIXHVYWOFP-NJZAAPMLSA-N 2 2 279.384 0.106 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@]2(C)CCOC2)C[C@H](C)O1 ZINC000578232392 390871678 /nfs/dbraw/zinc/87/16/78/390871678.db2.gz QYQYBGWTXFJMBL-BARDWOONSA-N 2 2 286.416 0.473 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@]2(C)CCOC2)C[C@H](C)O1 ZINC000578232392 390871679 /nfs/dbraw/zinc/87/16/79/390871679.db2.gz QYQYBGWTXFJMBL-BARDWOONSA-N 2 2 286.416 0.473 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000529362424 390818525 /nfs/dbraw/zinc/81/85/25/390818525.db2.gz FDXUTCRZZBVBIE-JSGCOSHPSA-N 2 2 292.383 0.513 20 0 CCADLP O=C(NC[C@H]1COCC[NH2+]1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000529379346 390824748 /nfs/dbraw/zinc/82/47/48/390824748.db2.gz KJGKRYJMDYHSLU-RYUDHWBXSA-N 2 2 293.371 0.635 20 0 CCADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)C1 ZINC000647515927 390828258 /nfs/dbraw/zinc/82/82/58/390828258.db2.gz BLEVYGDGRDABCG-HZPDHXFCSA-N 3 2 280.460 0.698 20 0 CCADLP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)C1 ZINC000647515927 390828261 /nfs/dbraw/zinc/82/82/61/390828261.db2.gz BLEVYGDGRDABCG-HZPDHXFCSA-N 3 2 280.460 0.698 20 0 CCADLP Cc1[nH]nc2ncc(CN3CC[N@@H+](C)C[C@@H]3C[NH3+])cc12 ZINC000647539334 390837391 /nfs/dbraw/zinc/83/73/91/390837391.db2.gz SOUXNHGVBABWPB-LBPRGKRZSA-N 2 2 274.372 0.341 20 0 CCADLP Cc1[nH]nc2ncc(CN3CC[N@H+](C)C[C@@H]3C[NH3+])cc12 ZINC000647539334 390837392 /nfs/dbraw/zinc/83/73/92/390837392.db2.gz SOUXNHGVBABWPB-LBPRGKRZSA-N 2 2 274.372 0.341 20 0 CCADLP C[NH+]1CC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCOCC1)C2 ZINC000647621910 390852546 /nfs/dbraw/zinc/85/25/46/390852546.db2.gz JTHODEHJPHSVJL-UHFFFAOYSA-N 2 2 281.400 0.261 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)C[NH+]1CC(C)(C)C1 ZINC000578451906 390884881 /nfs/dbraw/zinc/88/48/81/390884881.db2.gz SLJDAOGUTHLIDN-NSHDSACASA-N 2 2 250.346 0.730 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCc2cc(F)cc(F)c2)[C@@H](C[NH3+])C1 ZINC000578504239 390887981 /nfs/dbraw/zinc/88/79/81/390887981.db2.gz RONIOZNQHCSLFO-ZDUSSCGKSA-N 2 2 298.337 0.749 20 0 CCADLP C[N@H+]1CCN(C(=O)NCc2cc(F)cc(F)c2)[C@@H](C[NH3+])C1 ZINC000578504239 390887982 /nfs/dbraw/zinc/88/79/82/390887982.db2.gz RONIOZNQHCSLFO-ZDUSSCGKSA-N 2 2 298.337 0.749 20 0 CCADLP O=C1NCC[C@H]1[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534123510 390888839 /nfs/dbraw/zinc/88/88/39/390888839.db2.gz CCJBSMZVRVOMLN-GFCCVEGCSA-N 2 2 260.341 0.846 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC[C@@H]2CCNC2=O)C1 ZINC000578519093 390889033 /nfs/dbraw/zinc/88/90/33/390889033.db2.gz OSPSEIWTIXDJOX-RYUDHWBXSA-N 2 2 262.357 0.736 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC[C@@H]2CCNC2=O)C1 ZINC000578519093 390889035 /nfs/dbraw/zinc/88/90/35/390889035.db2.gz OSPSEIWTIXDJOX-RYUDHWBXSA-N 2 2 262.357 0.736 20 0 CCADLP CCOCC[C@H](O)C[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000578626881 390895156 /nfs/dbraw/zinc/89/51/56/390895156.db2.gz ARAPVCKQPZKTPD-KGLIPLIRSA-N 2 2 274.405 0.210 20 0 CCADLP CCOCC[C@H](O)C[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000578626881 390895158 /nfs/dbraw/zinc/89/51/58/390895158.db2.gz ARAPVCKQPZKTPD-KGLIPLIRSA-N 2 2 274.405 0.210 20 0 CCADLP COCC[N@H+](C)CCCNCc1c[nH+]c(C)n1C ZINC000578787165 390902695 /nfs/dbraw/zinc/90/26/95/390902695.db2.gz FIQLSZLMYDEHOG-UHFFFAOYSA-N 2 2 254.378 0.786 20 0 CCADLP COCC[N@@H+](C)CCCNCc1c[nH+]c(C)n1C ZINC000578787165 390902697 /nfs/dbraw/zinc/90/26/97/390902697.db2.gz FIQLSZLMYDEHOG-UHFFFAOYSA-N 2 2 254.378 0.786 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000578878919 390905696 /nfs/dbraw/zinc/90/56/96/390905696.db2.gz JFTIVKDFIXPYIY-CHWSQXEVSA-N 2 2 262.357 0.563 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000578878919 390905697 /nfs/dbraw/zinc/90/56/97/390905697.db2.gz JFTIVKDFIXPYIY-CHWSQXEVSA-N 2 2 262.357 0.563 20 0 CCADLP COC(=O)CC1CC([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000424314705 533323758 /nfs/dbraw/zinc/32/37/58/533323758.db2.gz PABMMOYNUXWSBV-BPCQOVAHSA-N 2 2 297.399 0.258 20 0 CCADLP COC(=O)CC1CC([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000424314705 533323762 /nfs/dbraw/zinc/32/37/62/533323762.db2.gz PABMMOYNUXWSBV-BPCQOVAHSA-N 2 2 297.399 0.258 20 0 CCADLP COC(=O)CC1CC([NH2+]C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC000424354178 533326090 /nfs/dbraw/zinc/32/60/90/533326090.db2.gz SAKPFSQOHAMCHQ-JXQTWKCFSA-N 2 2 284.400 0.765 20 0 CCADLP COC(=O)CC1CC([NH2+]C[C@H]2CCC[N@H+]2CCCO)C1 ZINC000424354178 533326092 /nfs/dbraw/zinc/32/60/92/533326092.db2.gz SAKPFSQOHAMCHQ-JXQTWKCFSA-N 2 2 284.400 0.765 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])C2CCC2)C[C@@H]1C ZINC000423904668 533421128 /nfs/dbraw/zinc/42/11/28/533421128.db2.gz YCSDHOXRVPNSOW-FZMZJTMJSA-N 2 2 297.399 0.210 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]([NH3+])C2CCC2)C[C@@H]1C ZINC000423904668 533421130 /nfs/dbraw/zinc/42/11/30/533421130.db2.gz YCSDHOXRVPNSOW-FZMZJTMJSA-N 2 2 297.399 0.210 20 0 CCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000423784767 533596780 /nfs/dbraw/zinc/59/67/80/533596780.db2.gz MURBFVZKUOJWSW-OLZOCXBDSA-N 2 2 297.399 0.224 20 0 CCADLP COC(=O)COC[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000449164717 533545394 /nfs/dbraw/zinc/54/53/94/533545394.db2.gz QTBSNQMFNFTXDO-CHWSQXEVSA-N 2 2 288.388 0.122 20 0 CCADLP CC(C)n1cc(C[NH2+]C[C@@H](C)C[NH+]2CCOCC2)nn1 ZINC000342109794 130267760 /nfs/dbraw/zinc/26/77/60/130267760.db2.gz VMMCENURKWOINL-CYBMUJFWSA-N 2 2 281.404 0.917 20 0 CCADLP O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CSC[NH2+]1 ZINC000238095546 131076949 /nfs/dbraw/zinc/07/69/49/131076949.db2.gz NBKPYVZPIZJQNJ-AWEZNQCLSA-N 2 2 291.420 0.823 20 0 CCADLP O=C(NCC[N@H+]1CCc2ccccc2C1)[C@@H]1CSC[NH2+]1 ZINC000238095546 131076950 /nfs/dbraw/zinc/07/69/50/131076950.db2.gz NBKPYVZPIZJQNJ-AWEZNQCLSA-N 2 2 291.420 0.823 20 0 CCADLP C[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1n1cc[nH+]c1 ZINC000245604473 131087570 /nfs/dbraw/zinc/08/75/70/131087570.db2.gz JSAVZQAINNKBCY-QWHCGFSZSA-N 2 2 290.367 0.915 20 0 CCADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000247221705 131102488 /nfs/dbraw/zinc/10/24/88/131102488.db2.gz QONFRISIHPZHJR-MNOVXSKESA-N 2 2 293.371 0.666 20 0 CCADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000247221705 131102489 /nfs/dbraw/zinc/10/24/89/131102489.db2.gz QONFRISIHPZHJR-MNOVXSKESA-N 2 2 293.371 0.666 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](C)O1 ZINC000251784826 131131484 /nfs/dbraw/zinc/13/14/84/131131484.db2.gz WMVAVJDDNWSZMQ-ARJVPZMDSA-N 2 2 295.427 0.837 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](C)O1 ZINC000251784826 131131486 /nfs/dbraw/zinc/13/14/86/131131486.db2.gz WMVAVJDDNWSZMQ-ARJVPZMDSA-N 2 2 295.427 0.837 20 0 CCADLP CC(C)[C@@H]([NH3+])C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000261930668 131178510 /nfs/dbraw/zinc/17/85/10/131178510.db2.gz LBULCKOXGAPCDL-CYBMUJFWSA-N 2 2 260.341 0.976 20 0 CCADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000262031828 131185456 /nfs/dbraw/zinc/18/54/56/131185456.db2.gz XNZBGGGJVMUCGE-OCCSQVGLSA-N 2 2 290.367 0.107 20 0 CCADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)[C@@H](C)C[NH3+])CC1 ZINC000262342482 131212970 /nfs/dbraw/zinc/21/29/70/131212970.db2.gz IAIYXHZVYHMSFZ-NSHDSACASA-N 2 2 293.415 0.276 20 0 CCADLP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000262644036 131246600 /nfs/dbraw/zinc/24/66/00/131246600.db2.gz MRRHPHPAQVYABR-UHFFFAOYSA-N 2 2 293.415 0.418 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000264033683 131383823 /nfs/dbraw/zinc/38/38/23/131383823.db2.gz STTNZHUQCTYDJY-VXGBXAGGSA-N 2 2 265.361 0.617 20 0 CCADLP COC1([C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)CCC1 ZINC000657880590 413071736 /nfs/dbraw/zinc/07/17/36/413071736.db2.gz PWIPPFWYZAIECD-CHWSQXEVSA-N 2 2 255.406 0.779 20 0 CCADLP COC1([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)CCC1 ZINC000657880590 413071740 /nfs/dbraw/zinc/07/17/40/413071740.db2.gz PWIPPFWYZAIECD-CHWSQXEVSA-N 2 2 255.406 0.779 20 0 CCADLP CCn1ncc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])n1 ZINC000530214155 285571698 /nfs/dbraw/zinc/57/16/98/285571698.db2.gz YOHPNBFNVJYQRN-YUSALJHKSA-N 2 2 253.350 0.140 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNc2ncnc3c2CCC3)CC1 ZINC000531381291 285712260 /nfs/dbraw/zinc/71/22/60/285712260.db2.gz YSOKUYFRSIGYSI-UHFFFAOYSA-N 2 2 289.427 0.825 20 0 CCADLP C[C@H]([NH3+])CC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000037800376 397385849 /nfs/dbraw/zinc/38/58/49/397385849.db2.gz BBAUVTJLPIUSAU-LBPRGKRZSA-N 2 2 262.357 0.463 20 0 CCADLP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NCC1CC1 ZINC000037917653 397390428 /nfs/dbraw/zinc/39/04/28/397390428.db2.gz LLDLWPPVMGINIF-KBPBESRZSA-N 2 2 265.401 0.977 20 0 CCADLP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NCC1CC1 ZINC000037917653 397390431 /nfs/dbraw/zinc/39/04/31/397390431.db2.gz LLDLWPPVMGINIF-KBPBESRZSA-N 2 2 265.401 0.977 20 0 CCADLP CN(C)c1ncc(C[N@H+](C)CCC[NH+](C)C)cn1 ZINC000356435292 144002671 /nfs/dbraw/zinc/00/26/71/144002671.db2.gz PMLYLXOWHSJPMP-UHFFFAOYSA-N 2 2 251.378 0.926 20 0 CCADLP CN(C)c1ncc(C[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000356435292 144002675 /nfs/dbraw/zinc/00/26/75/144002675.db2.gz PMLYLXOWHSJPMP-UHFFFAOYSA-N 2 2 251.378 0.926 20 0 CCADLP C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)[NH+]1CCOCC1 ZINC000357299793 144080206 /nfs/dbraw/zinc/08/02/06/144080206.db2.gz OJMYHRDENYCLSI-HZSPNIEDSA-N 2 2 283.416 0.506 20 0 CCADLP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1CCOCC1 ZINC000357299793 144080207 /nfs/dbraw/zinc/08/02/07/144080207.db2.gz OJMYHRDENYCLSI-HZSPNIEDSA-N 2 2 283.416 0.506 20 0 CCADLP CCC(C)(C)NC(=O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357653916 144109765 /nfs/dbraw/zinc/10/97/65/144109765.db2.gz XPSVJZQEKDVHLT-UHFFFAOYSA-N 2 2 285.432 0.680 20 0 CCADLP CCC(C)(C)NC(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357653916 144109767 /nfs/dbraw/zinc/10/97/67/144109767.db2.gz XPSVJZQEKDVHLT-UHFFFAOYSA-N 2 2 285.432 0.680 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](CCC(=O)NC2CCCC2)CCO1 ZINC000358119916 144154240 /nfs/dbraw/zinc/15/42/40/144154240.db2.gz DRGYFBTYSHGQMI-GFCCVEGCSA-N 2 2 255.362 0.095 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)NC2CCCC2)CCO1 ZINC000358119916 144154242 /nfs/dbraw/zinc/15/42/42/144154242.db2.gz DRGYFBTYSHGQMI-GFCCVEGCSA-N 2 2 255.362 0.095 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@@H](C)C[NH+](C)C)CCO1 ZINC000358524334 144158161 /nfs/dbraw/zinc/15/81/61/144158161.db2.gz UMWGZPYKVXUEKV-QWHCGFSZSA-N 2 2 286.420 0.347 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@@H](C)C[NH+](C)C)CCO1 ZINC000358524334 144158163 /nfs/dbraw/zinc/15/81/63/144158163.db2.gz UMWGZPYKVXUEKV-QWHCGFSZSA-N 2 2 286.420 0.347 20 0 CCADLP Cn1c[nH+]cc1CN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000370226363 144294232 /nfs/dbraw/zinc/29/42/32/144294232.db2.gz AHOWQMDVXAIQCW-KBPBESRZSA-N 2 2 264.373 0.451 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)[C@H]1CCc2[nH+]ccn2C1 ZINC000370419260 144302185 /nfs/dbraw/zinc/30/21/85/144302185.db2.gz UHHWUKJERCEINQ-LBPRGKRZSA-N 2 2 273.340 0.849 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCCn2cncn2)n1C ZINC000381721805 397488356 /nfs/dbraw/zinc/48/83/56/397488356.db2.gz UYWKPTJUQYUBSL-UHFFFAOYSA-N 2 2 263.349 0.258 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc(CO)cc1)C1CC1 ZINC000394036363 397516118 /nfs/dbraw/zinc/51/61/18/397516118.db2.gz MLQOBOWVXZSJSO-HNNXBMFYSA-N 2 2 264.369 0.724 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc(CO)cc1)C1CC1 ZINC000394036363 397516120 /nfs/dbraw/zinc/51/61/20/397516120.db2.gz MLQOBOWVXZSJSO-HNNXBMFYSA-N 2 2 264.369 0.724 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](N2CCOCC2)C1 ZINC000394602775 397517254 /nfs/dbraw/zinc/51/72/54/397517254.db2.gz PYJDYRFCTIRTLU-HZPDHXFCSA-N 2 2 299.459 0.484 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](N2CCOCC2)C1 ZINC000394602775 397517261 /nfs/dbraw/zinc/51/72/61/397517261.db2.gz PYJDYRFCTIRTLU-HZPDHXFCSA-N 2 2 299.459 0.484 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000394602775 397517265 /nfs/dbraw/zinc/51/72/65/397517265.db2.gz PYJDYRFCTIRTLU-HZPDHXFCSA-N 2 2 299.459 0.484 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000394602775 397517267 /nfs/dbraw/zinc/51/72/67/397517267.db2.gz PYJDYRFCTIRTLU-HZPDHXFCSA-N 2 2 299.459 0.484 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@@H](OC)C1 ZINC000388872846 397507674 /nfs/dbraw/zinc/50/76/74/397507674.db2.gz RMHAGKHGHRLGFI-IHRRRGAJSA-N 2 2 274.405 0.282 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C)[C@@H](OC)C1 ZINC000388872846 397507678 /nfs/dbraw/zinc/50/76/78/397507678.db2.gz RMHAGKHGHRLGFI-IHRRRGAJSA-N 2 2 274.405 0.282 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC000388872846 397507683 /nfs/dbraw/zinc/50/76/83/397507683.db2.gz RMHAGKHGHRLGFI-IHRRRGAJSA-N 2 2 274.405 0.282 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC000388872846 397507686 /nfs/dbraw/zinc/50/76/86/397507686.db2.gz RMHAGKHGHRLGFI-IHRRRGAJSA-N 2 2 274.405 0.282 20 0 CCADLP CC(=O)N1CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000388654937 397508234 /nfs/dbraw/zinc/50/82/34/397508234.db2.gz AHGMWRLMTJUYFO-CQSZACIVSA-N 2 2 271.405 0.242 20 0 CCADLP CC(=O)N1CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000388654937 397508237 /nfs/dbraw/zinc/50/82/37/397508237.db2.gz AHGMWRLMTJUYFO-CQSZACIVSA-N 2 2 271.405 0.242 20 0 CCADLP CC(=O)N1CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)CC1 ZINC000388654937 397508240 /nfs/dbraw/zinc/50/82/40/397508240.db2.gz AHGMWRLMTJUYFO-CQSZACIVSA-N 2 2 271.405 0.242 20 0 CCADLP CC(=O)N1CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)CC1 ZINC000388654937 397508242 /nfs/dbraw/zinc/50/82/42/397508242.db2.gz AHGMWRLMTJUYFO-CQSZACIVSA-N 2 2 271.405 0.242 20 0 CCADLP c1c[nH+]c(CN2CC[NH+](CC[C@H]3CCOC3)CC2)[nH]1 ZINC000438114980 397536982 /nfs/dbraw/zinc/53/69/82/397536982.db2.gz GCYKAOMEJXBYPK-ZDUSSCGKSA-N 2 2 264.373 0.954 20 0 CCADLP Cc1nc2n(c1C)CC[N@H+](CCN1CC[NH2+]CC1)C2 ZINC000649412205 397607307 /nfs/dbraw/zinc/60/73/07/397607307.db2.gz VZYOHDPOPGBFLQ-UHFFFAOYSA-N 2 2 263.389 0.221 20 0 CCADLP Cc1nc2n(c1C)CC[N@@H+](CCN1CC[NH2+]CC1)C2 ZINC000649412205 397607308 /nfs/dbraw/zinc/60/73/08/397607308.db2.gz VZYOHDPOPGBFLQ-UHFFFAOYSA-N 2 2 263.389 0.221 20 0 CCADLP Cc1[nH+]c2n(c1C)CCN(CCN1CC[NH2+]CC1)C2 ZINC000649412205 397607309 /nfs/dbraw/zinc/60/73/09/397607309.db2.gz VZYOHDPOPGBFLQ-UHFFFAOYSA-N 2 2 263.389 0.221 20 0 CCADLP CCO[C@@H]1CN(C(=O)NCCCn2cc[nH+]c2)C[C@H]1C[NH3+] ZINC000649480609 397619318 /nfs/dbraw/zinc/61/93/18/397619318.db2.gz MOZGFAWKOFTJHX-CHWSQXEVSA-N 2 2 295.387 0.278 20 0 CCADLP CN(CC[NH+]1CCCCC1)C(=O)NCC[NH+]1CCOCC1 ZINC000649500002 397623516 /nfs/dbraw/zinc/62/35/16/397623516.db2.gz RFFYGGHWRTYCFP-UHFFFAOYSA-N 2 2 298.431 0.446 20 0 CCADLP C[C@H](CC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)n1cc[nH+]c1 ZINC000649850776 397673948 /nfs/dbraw/zinc/67/39/48/397673948.db2.gz AJVUWQYOMFXMSL-AGIUHOORSA-N 2 2 280.372 0.670 20 0 CCADLP C[C@H](CC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)n1cc[nH+]c1 ZINC000649850776 397673949 /nfs/dbraw/zinc/67/39/49/397673949.db2.gz AJVUWQYOMFXMSL-AGIUHOORSA-N 2 2 280.372 0.670 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@H](n2cc(CO)nn2)C1 ZINC000650725163 397749477 /nfs/dbraw/zinc/74/94/77/397749477.db2.gz UTEWGHBYVXDRIB-WCQYABFASA-N 2 2 267.377 0.391 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H](n2cc(CO)nn2)C1 ZINC000650725163 397749481 /nfs/dbraw/zinc/74/94/81/397749481.db2.gz UTEWGHBYVXDRIB-WCQYABFASA-N 2 2 267.377 0.391 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000548519330 286045356 /nfs/dbraw/zinc/04/53/56/286045356.db2.gz JBTICINNJKTYPD-TZMCWYRMSA-N 2 2 276.384 0.905 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000548519330 286045358 /nfs/dbraw/zinc/04/53/58/286045358.db2.gz JBTICINNJKTYPD-TZMCWYRMSA-N 2 2 276.384 0.905 20 0 CCADLP CCOCCNC(=O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000084696261 286093198 /nfs/dbraw/zinc/09/31/98/286093198.db2.gz IABGKRSHEKTZDP-CQSZACIVSA-N 2 2 285.432 0.945 20 0 CCADLP CCOCCNC(=O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000084696261 286093199 /nfs/dbraw/zinc/09/31/99/286093199.db2.gz IABGKRSHEKTZDP-CQSZACIVSA-N 2 2 285.432 0.945 20 0 CCADLP CCOCCNC(=O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000084696261 286093201 /nfs/dbraw/zinc/09/32/01/286093201.db2.gz IABGKRSHEKTZDP-CQSZACIVSA-N 2 2 285.432 0.945 20 0 CCADLP CCOCCNC(=O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000084696261 286093202 /nfs/dbraw/zinc/09/32/02/286093202.db2.gz IABGKRSHEKTZDP-CQSZACIVSA-N 2 2 285.432 0.945 20 0 CCADLP C[C@@H]1CC[N@@H+]([C@@H]2COC[C@H]2O)C[C@H]1n1cc[nH+]c1 ZINC000551098212 286115721 /nfs/dbraw/zinc/11/57/21/286115721.db2.gz WBEDAURYNZCZGS-FDYHWXHSSA-N 2 2 251.330 0.526 20 0 CCADLP C[C@@H]1CC[N@H+]([C@@H]2COC[C@H]2O)C[C@H]1n1cc[nH+]c1 ZINC000551098212 286115722 /nfs/dbraw/zinc/11/57/22/286115722.db2.gz WBEDAURYNZCZGS-FDYHWXHSSA-N 2 2 251.330 0.526 20 0 CCADLP O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CC[NH+]2CCC1CC2 ZINC000551647692 286122490 /nfs/dbraw/zinc/12/24/90/286122490.db2.gz DNTKNHMODGWCSR-LBPRGKRZSA-N 2 2 289.383 0.688 20 0 CCADLP COc1ncccc1CC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423141728 286571029 /nfs/dbraw/zinc/57/10/29/286571029.db2.gz RMEAPSQQDAWTRG-HUUCEWRRSA-N 2 2 291.395 0.989 20 0 CCADLP CC(C)[C@H](C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)[C@H](C)[NH3+] ZINC000659357810 413443199 /nfs/dbraw/zinc/44/31/99/413443199.db2.gz NKIOXBWEGVGUIG-MJBXVCDLSA-N 2 2 283.416 0.539 20 0 CCADLP CC[C@@H]1CN(CC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CCO1 ZINC000423079495 287195628 /nfs/dbraw/zinc/19/56/28/287195628.db2.gz AHJYLUPAKLWZJR-OAGGEKHMSA-N 2 2 297.443 0.454 20 0 CCADLP O=C(C[C@H]1CCC[NH2+]1)NCCCCn1cc[nH+]c1 ZINC000045109237 411636060 /nfs/dbraw/zinc/63/60/60/411636060.db2.gz VZQBWVRYSKJJIA-GFCCVEGCSA-N 2 2 250.346 0.922 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)NC[C@@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000122871821 411708315 /nfs/dbraw/zinc/70/83/15/411708315.db2.gz FIQJNWZCGXCHOZ-AGIUHOORSA-N 2 2 269.389 0.341 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)NC[C@@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000122871821 411708320 /nfs/dbraw/zinc/70/83/20/411708320.db2.gz FIQJNWZCGXCHOZ-AGIUHOORSA-N 2 2 269.389 0.341 20 0 CCADLP [NH3+]C[C@H]1CC[N@H+](Cc2nc(-c3ccccn3)no2)C1 ZINC000050247606 411677528 /nfs/dbraw/zinc/67/75/28/411677528.db2.gz CGEMYAACMJFVCP-SNVBAGLBSA-N 2 2 259.313 0.912 20 0 CCADLP [NH3+]C[C@H]1CC[N@@H+](Cc2nc(-c3ccccn3)no2)C1 ZINC000050247606 411677532 /nfs/dbraw/zinc/67/75/32/411677532.db2.gz CGEMYAACMJFVCP-SNVBAGLBSA-N 2 2 259.313 0.912 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000070362330 411691912 /nfs/dbraw/zinc/69/19/12/411691912.db2.gz MXYADXJGBHGIBE-CHWSQXEVSA-N 2 2 255.406 0.779 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000070362330 411691920 /nfs/dbraw/zinc/69/19/20/411691920.db2.gz MXYADXJGBHGIBE-CHWSQXEVSA-N 2 2 255.406 0.779 20 0 CCADLP CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H]1CCCOC1 ZINC000402707913 411782783 /nfs/dbraw/zinc/78/27/83/411782783.db2.gz RCOBJQKUTNGVAX-UONOGXRCSA-N 2 2 256.390 0.942 20 0 CCADLP CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H]1CCCOC1 ZINC000402707913 411782790 /nfs/dbraw/zinc/78/27/90/411782790.db2.gz RCOBJQKUTNGVAX-UONOGXRCSA-N 2 2 256.390 0.942 20 0 CCADLP CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@H]1CCCOC1 ZINC000402707913 411782794 /nfs/dbraw/zinc/78/27/94/411782794.db2.gz RCOBJQKUTNGVAX-UONOGXRCSA-N 2 2 256.390 0.942 20 0 CCADLP CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@H]1CCCOC1 ZINC000402707913 411782796 /nfs/dbraw/zinc/78/27/96/411782796.db2.gz RCOBJQKUTNGVAX-UONOGXRCSA-N 2 2 256.390 0.942 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])no1 ZINC000404430204 411796026 /nfs/dbraw/zinc/79/60/26/411796026.db2.gz OFZXXPQHELQGOW-JQWIXIFHSA-N 2 2 280.372 0.793 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])no1 ZINC000404430204 411796031 /nfs/dbraw/zinc/79/60/31/411796031.db2.gz OFZXXPQHELQGOW-JQWIXIFHSA-N 2 2 280.372 0.793 20 0 CCADLP CCO[C@@H]1C[N@H+](CC(=O)NC2CCC(C)CC2)C[C@H]1C[NH3+] ZINC000405631137 411803503 /nfs/dbraw/zinc/80/35/03/411803503.db2.gz ZJMNZKXCYQUCRK-HXSCFSKGSA-N 2 2 297.443 0.977 20 0 CCADLP CCO[C@@H]1C[N@@H+](CC(=O)NC2CCC(C)CC2)C[C@H]1C[NH3+] ZINC000405631137 411803507 /nfs/dbraw/zinc/80/35/07/411803507.db2.gz ZJMNZKXCYQUCRK-HXSCFSKGSA-N 2 2 297.443 0.977 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407429436 411809081 /nfs/dbraw/zinc/80/90/81/411809081.db2.gz OPEBTSLRGDBIJO-BNOWGMLFSA-N 2 2 281.400 0.354 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cc3cnccc3o2)CC1 ZINC000651690644 411919741 /nfs/dbraw/zinc/91/97/41/411919741.db2.gz OQRYEDUBEBIPCS-UHFFFAOYSA-N 2 2 288.351 0.691 20 0 CCADLP Cc1cccn2c(C[NH2+][C@H]3C[C@@H](C(N)=O)C3)c[nH+]c12 ZINC000651939435 411963969 /nfs/dbraw/zinc/96/39/69/411963969.db2.gz FWAZTBVIZJTZSB-PHIMTYICSA-N 2 2 258.325 0.996 20 0 CCADLP C[N@@H+]1C[C@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@H]2C1 ZINC000652323505 412028251 /nfs/dbraw/zinc/02/82/51/412028251.db2.gz JBSZONRSPHXWSH-OCCSQVGLSA-N 2 2 288.395 0.924 20 0 CCADLP C[N@H+]1C[C@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@H]2C1 ZINC000652323505 412028255 /nfs/dbraw/zinc/02/82/55/412028255.db2.gz JBSZONRSPHXWSH-OCCSQVGLSA-N 2 2 288.395 0.924 20 0 CCADLP CNC(=O)[C@@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000652341424 412032395 /nfs/dbraw/zinc/03/23/95/412032395.db2.gz OQQFCGWRNBVSAZ-HNNXBMFYSA-N 2 2 289.379 0.279 20 0 CCADLP CNC(=O)[C@@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000652341424 412032402 /nfs/dbraw/zinc/03/24/02/412032402.db2.gz OQQFCGWRNBVSAZ-HNNXBMFYSA-N 2 2 289.379 0.279 20 0 CCADLP COCC[NH2+]C1CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC000652344909 412032938 /nfs/dbraw/zinc/03/29/38/412032938.db2.gz UFHDMCRAHNDZNQ-HNNXBMFYSA-N 2 2 286.416 0.882 20 0 CCADLP COC1CCC(N(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653089974 412214526 /nfs/dbraw/zinc/21/45/26/412214526.db2.gz ACVKMMXPUUCPOJ-BPCQOVAHSA-N 2 2 271.405 0.681 20 0 CCADLP C[NH2+]C[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000653049291 412201554 /nfs/dbraw/zinc/20/15/54/412201554.db2.gz AGRSFWBSIATIKI-LBPRGKRZSA-N 2 2 276.384 0.830 20 0 CCADLP COc1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653056470 412203548 /nfs/dbraw/zinc/20/35/48/412203548.db2.gz IASVOBDSWLJKBT-GFCCVEGCSA-N 2 2 251.330 0.913 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)OCCO2 ZINC000653055964 412204036 /nfs/dbraw/zinc/20/40/36/412204036.db2.gz QLNBUUYMHCISEZ-NSHDSACASA-N 2 2 279.340 0.675 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1ccc2c(c1)OCO2 ZINC000653055862 412204096 /nfs/dbraw/zinc/20/40/96/412204096.db2.gz NZDNBHLYZHGRNA-NSHDSACASA-N 2 2 279.340 0.311 20 0 CCADLP COc1ccc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653057143 412204429 /nfs/dbraw/zinc/20/44/29/412204429.db2.gz QLCAEHRXKNRXOQ-CYBMUJFWSA-N 2 2 265.357 0.590 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1ccc2c(c1)OCO2 ZINC000653055861 412204519 /nfs/dbraw/zinc/20/45/19/412204519.db2.gz NZDNBHLYZHGRNA-LLVKDONJSA-N 2 2 279.340 0.311 20 0 CCADLP COc1ccccc1OCCNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653058250 412205360 /nfs/dbraw/zinc/20/53/60/412205360.db2.gz KZINIURPYKHKQL-GFCCVEGCSA-N 2 2 295.383 0.469 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCc1ccccc1F ZINC000653060808 412205970 /nfs/dbraw/zinc/20/59/70/412205970.db2.gz SKXCWNHFMZDZSU-CYBMUJFWSA-N 2 2 267.348 0.763 20 0 CCADLP COc1ccccc1N(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653072141 412208603 /nfs/dbraw/zinc/20/86/03/412208603.db2.gz FSVCWMRYEKEENF-NSHDSACASA-N 2 2 265.357 0.937 20 0 CCADLP CCN(C[C@H]1CCCO1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653078903 412210362 /nfs/dbraw/zinc/21/03/62/412210362.db2.gz NIROICMXGYBBMB-NEPJUHHUSA-N 2 2 257.378 0.293 20 0 CCADLP C[C@@H](COCC(F)(F)F)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653081112 412211651 /nfs/dbraw/zinc/21/16/51/412211651.db2.gz CECVFIVYNPBDLD-DTWKUNHWSA-N 2 2 285.310 0.349 20 0 CCADLP C[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1nc(C(C)(C)C)no1 ZINC000653101827 412218629 /nfs/dbraw/zinc/21/86/29/412218629.db2.gz HMOLYAKCEMPSJI-VHSXEESVSA-N 2 2 297.403 0.823 20 0 CCADLP CC(C)CO[C@@H]1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653104583 412219681 /nfs/dbraw/zinc/21/96/81/412219681.db2.gz MBGYMDMVRDZLIF-CHWSQXEVSA-N 2 2 271.405 0.539 20 0 CCADLP CC(C)[NH+](CCNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C(C)C ZINC000653105500 412220289 /nfs/dbraw/zinc/22/02/89/412220289.db2.gz YVQNZMGXUXVWSS-ZDUSSCGKSA-N 3 2 272.437 0.500 20 0 CCADLP CCC[NH+]1CCC(NC(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653107001 412220470 /nfs/dbraw/zinc/22/04/70/412220470.db2.gz UHYHFAWZJQSPOC-CYBMUJFWSA-N 3 2 270.421 0.256 20 0 CCADLP C[C@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)[N@@H+]1CCCC[C@H]1C ZINC000653109873 412221517 /nfs/dbraw/zinc/22/15/17/412221517.db2.gz PSDACFAHGBSXKD-MGPQQGTHSA-N 3 2 284.448 0.645 20 0 CCADLP C[C@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)[N@H+]1CCCC[C@H]1C ZINC000653109873 412221521 /nfs/dbraw/zinc/22/15/21/412221521.db2.gz PSDACFAHGBSXKD-MGPQQGTHSA-N 3 2 284.448 0.645 20 0 CCADLP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653109443 412221701 /nfs/dbraw/zinc/22/17/01/412221701.db2.gz BNZKPCBTHPLBMB-OLZOCXBDSA-N 3 2 270.421 0.256 20 0 CCADLP C[C@@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000653109939 412222845 /nfs/dbraw/zinc/22/28/45/412222845.db2.gz SAXGNKZMWOBSBH-HZSPNIEDSA-N 3 2 284.448 0.502 20 0 CCADLP C[C@@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000653109939 412222848 /nfs/dbraw/zinc/22/28/48/412222848.db2.gz SAXGNKZMWOBSBH-HZSPNIEDSA-N 3 2 284.448 0.502 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000653112452 412223558 /nfs/dbraw/zinc/22/35/58/412223558.db2.gz ZDGXMGQUHYCXRY-CABCVRRESA-N 3 2 296.459 0.742 20 0 CCADLP O=C(N1CCC(n2cc[nH+]c2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653114445 412226504 /nfs/dbraw/zinc/22/65/04/412226504.db2.gz IKQCGYAVTADEQX-WFASDCNBSA-N 2 2 290.367 0.283 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653116900 412227380 /nfs/dbraw/zinc/22/73/80/412227380.db2.gz XQYHDRBGEUVTFD-XBFCOCLRSA-N 2 2 281.400 0.354 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653116900 412227382 /nfs/dbraw/zinc/22/73/82/412227382.db2.gz XQYHDRBGEUVTFD-XBFCOCLRSA-N 2 2 281.400 0.354 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000653117346 412227455 /nfs/dbraw/zinc/22/74/55/412227455.db2.gz JHSDFLVECRZTOF-UONOGXRCSA-N 3 2 282.432 0.352 20 0 CCADLP C[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000653121990 412229457 /nfs/dbraw/zinc/22/94/57/412229457.db2.gz IEEXCQGXPHASOE-VXGBXAGGSA-N 3 2 272.437 0.358 20 0 CCADLP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)C1 ZINC000653122004 412229614 /nfs/dbraw/zinc/22/96/14/412229614.db2.gz IFTUDIMFYIMQHL-ZIAGYGMSSA-N 3 2 284.448 0.456 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cnn(-c2ccccn2)c1 ZINC000653121412 412230116 /nfs/dbraw/zinc/23/01/16/412230116.db2.gz UDVYAJMSCGAAIQ-GFCCVEGCSA-N 2 2 288.355 0.485 20 0 CCADLP CN1CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)c2ccc(F)cc21 ZINC000653123652 412232077 /nfs/dbraw/zinc/23/20/77/412232077.db2.gz CBRQGLJJMLJTEJ-LBPRGKRZSA-N 2 2 294.374 0.888 20 0 CCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@H](C)C1 ZINC000653122415 412232208 /nfs/dbraw/zinc/23/22/08/412232208.db2.gz WIJQAHJHFZDTRW-RDBSUJKOSA-N 3 2 284.448 0.454 20 0 CCADLP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@H](C)C1 ZINC000653122415 412232212 /nfs/dbraw/zinc/23/22/12/412232212.db2.gz WIJQAHJHFZDTRW-RDBSUJKOSA-N 3 2 284.448 0.454 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCC[NH2+]CC1)[NH+]1CCN(C)CC1 ZINC000653124704 412232313 /nfs/dbraw/zinc/23/23/13/412232313.db2.gz FJILJWVVEYCEDB-KBPBESRZSA-N 2 2 282.432 0.128 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000653122418 412232489 /nfs/dbraw/zinc/23/24/89/412232489.db2.gz WLAFUIHHMCXUEO-GFCCVEGCSA-N 3 2 279.388 0.361 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCc1ccc(F)c(F)c1 ZINC000653140280 412239451 /nfs/dbraw/zinc/23/94/51/412239451.db2.gz UCRQSSGURKFFEJ-CYBMUJFWSA-N 2 2 285.338 0.903 20 0 CCADLP CN1CCc2ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc21 ZINC000653148626 412242360 /nfs/dbraw/zinc/24/23/60/412242360.db2.gz GFPDOKRVJSSIKN-ZDUSSCGKSA-N 2 2 276.384 0.896 20 0 CCADLP CCC[C@@H]1CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CCO1 ZINC000653151158 412243544 /nfs/dbraw/zinc/24/35/44/412243544.db2.gz YXRNIMXAWZNYMB-NEPJUHHUSA-N 2 2 257.378 0.293 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCc2cc(F)ccc2C1 ZINC000653150596 412243998 /nfs/dbraw/zinc/24/39/98/412243998.db2.gz GVVKSZYIQLHUAA-AWEZNQCLSA-N 2 2 279.359 0.989 20 0 CCADLP CC[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@H]1CCCO1 ZINC000653173136 412252337 /nfs/dbraw/zinc/25/23/37/412252337.db2.gz DWLGPCJHGJTQAT-SDDRHHMPSA-N 2 2 257.378 0.339 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H](CC)CO1 ZINC000653177331 412253520 /nfs/dbraw/zinc/25/35/20/412253520.db2.gz UQGHUNXNTDHUEL-JHJVBQTASA-N 2 2 271.405 0.681 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)CC[C@H]1CCCO1 ZINC000653635772 412327639 /nfs/dbraw/zinc/32/76/39/412327639.db2.gz CIKKFHOPNFVOEQ-UONOGXRCSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)CC[C@H]1CCCO1 ZINC000653635772 412327640 /nfs/dbraw/zinc/32/76/40/412327640.db2.gz CIKKFHOPNFVOEQ-UONOGXRCSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)CC[C@H]1CCCO1 ZINC000653635772 412327641 /nfs/dbraw/zinc/32/76/41/412327641.db2.gz CIKKFHOPNFVOEQ-UONOGXRCSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)CC[C@H]1CCCO1 ZINC000653635772 412327642 /nfs/dbraw/zinc/32/76/42/412327642.db2.gz CIKKFHOPNFVOEQ-UONOGXRCSA-N 2 2 274.405 0.426 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@]2(CC2(F)F)C1 ZINC000653780135 412346336 /nfs/dbraw/zinc/34/63/36/412346336.db2.gz XZIYNMRZWCOQDT-NEPJUHHUSA-N 2 2 278.343 0.657 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@]2(CC2(F)F)C1 ZINC000653780135 412346338 /nfs/dbraw/zinc/34/63/38/412346338.db2.gz XZIYNMRZWCOQDT-NEPJUHHUSA-N 2 2 278.343 0.657 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000653780135 412346341 /nfs/dbraw/zinc/34/63/41/412346341.db2.gz XZIYNMRZWCOQDT-NEPJUHHUSA-N 2 2 278.343 0.657 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000653780135 412346345 /nfs/dbraw/zinc/34/63/45/412346345.db2.gz XZIYNMRZWCOQDT-NEPJUHHUSA-N 2 2 278.343 0.657 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC([C@@H](C)CO)CC1 ZINC000653779172 412346573 /nfs/dbraw/zinc/34/65/73/412346573.db2.gz ORIBNMOWROODEV-JSGCOSHPSA-N 2 2 258.406 0.639 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC([C@@H](C)CO)CC1 ZINC000653779172 412346575 /nfs/dbraw/zinc/34/65/75/412346575.db2.gz ORIBNMOWROODEV-JSGCOSHPSA-N 2 2 258.406 0.639 20 0 CCADLP Cc1cc[nH+]c(C)c1NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654071023 412371378 /nfs/dbraw/zinc/37/13/78/412371378.db2.gz RJNDMWKVQCSEER-QWHCGFSZSA-N 2 2 290.367 0.981 20 0 CCADLP C[C@H](CNC(=O)N1CC[NH+](C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654647754 412422323 /nfs/dbraw/zinc/42/23/23/412422323.db2.gz ONHGUPPEFKZWKR-MCIONIFRSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@H](CNC(=O)N1CC[NH+](C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654647754 412422325 /nfs/dbraw/zinc/42/23/25/412422325.db2.gz ONHGUPPEFKZWKR-MCIONIFRSA-N 2 2 298.431 0.441 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000654671516 412426584 /nfs/dbraw/zinc/42/65/84/412426584.db2.gz LEZRJGCVZLDTEH-NSHDSACASA-N 2 2 290.371 0.985 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000654671516 412426586 /nfs/dbraw/zinc/42/65/86/412426586.db2.gz LEZRJGCVZLDTEH-NSHDSACASA-N 2 2 290.371 0.985 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000654732785 412433050 /nfs/dbraw/zinc/43/30/50/412433050.db2.gz GJHYOXRNZCCUPI-ZDUSSCGKSA-N 3 2 295.431 0.540 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000654732785 412433053 /nfs/dbraw/zinc/43/30/53/412433053.db2.gz GJHYOXRNZCCUPI-ZDUSSCGKSA-N 3 2 295.431 0.540 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000654890436 412448484 /nfs/dbraw/zinc/44/84/84/412448484.db2.gz VZSXGOXNLWELKF-ZIAGYGMSSA-N 2 2 281.400 0.261 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000654890436 412448486 /nfs/dbraw/zinc/44/84/86/412448486.db2.gz VZSXGOXNLWELKF-ZIAGYGMSSA-N 2 2 281.400 0.261 20 0 CCADLP CC(C)[C@H]([NH3+])CCNC(=O)NCCn1cc[nH+]c1 ZINC000659428347 413494077 /nfs/dbraw/zinc/49/40/77/413494077.db2.gz SLMYKNIVFGNHRX-LLVKDONJSA-N 2 2 253.350 0.556 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659437172 413497777 /nfs/dbraw/zinc/49/77/77/413497777.db2.gz DGGMVGRSLXWWEF-HBNTYKKESA-N 2 2 269.324 0.352 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)NCCCNc1cccc[nH+]1 ZINC000659436969 413498469 /nfs/dbraw/zinc/49/84/69/413498469.db2.gz WPWAYUNKILEYHF-LLVKDONJSA-N 2 2 265.361 0.791 20 0 CCADLP O=C(NCC[C@H]1CC[NH2+]C1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659513233 413574467 /nfs/dbraw/zinc/57/44/67/413574467.db2.gz HICGZPGNXHMOPN-KGLIPLIRSA-N 2 2 296.415 0.102 20 0 CCADLP [NH3+]C/C=C/CNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000659543051 413630857 /nfs/dbraw/zinc/63/08/57/413630857.db2.gz FDJPWIRLZIHALE-OWOJBTEDSA-N 2 2 296.415 0.255 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000659555160 413648462 /nfs/dbraw/zinc/64/84/62/413648462.db2.gz OYIDZGDGHGBERZ-UWVGGRQHSA-N 2 2 251.334 0.679 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000659555160 413648470 /nfs/dbraw/zinc/64/84/70/413648470.db2.gz OYIDZGDGHGBERZ-UWVGGRQHSA-N 2 2 251.334 0.679 20 0 CCADLP C[C@@H](NC(=O)NCC1([NH3+])CCC1)c1[nH+]ccn1C ZINC000659529667 413609082 /nfs/dbraw/zinc/60/90/82/413609082.db2.gz LYXKMNVGOLEXAP-SECBINFHSA-N 2 2 251.334 0.662 20 0 CCADLP C[C@@H](NC(=O)NCC1=CC[NH2+]CC1)c1[nH+]ccn1C ZINC000659532848 413614235 /nfs/dbraw/zinc/61/42/35/413614235.db2.gz SYYYUPOLJLOJAV-SNVBAGLBSA-N 2 2 263.345 0.700 20 0 CCADLP C[C@@H](NC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)c1[nH+]ccn1C ZINC000659627286 413724478 /nfs/dbraw/zinc/72/44/78/413724478.db2.gz GZEQHKNWFONRRT-GMTAPVOTSA-N 2 2 265.361 0.873 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H](C)c2[nH+]ccn2C)CCO1 ZINC000659626339 413724563 /nfs/dbraw/zinc/72/45/63/413724563.db2.gz APKFUTOYQJQJHZ-VWYCJHECSA-N 2 2 281.360 0.239 20 0 CCADLP C[C@H](NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1[nH+]ccn1C ZINC000659628182 413724870 /nfs/dbraw/zinc/72/48/70/413724870.db2.gz MMLARJJEGSYWRF-IVZWLZJFSA-N 2 2 269.324 0.562 20 0 CCADLP C[C@H](NC(=O)N1CCC(C[NH3+])CC1)c1[nH+]ccn1C ZINC000659628038 413725399 /nfs/dbraw/zinc/72/53/99/413725399.db2.gz KFFBJNAAMGIBBA-JTQLQIEISA-N 2 2 265.361 0.861 20 0 CCADLP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(=O)[nH]n1 ZINC000285578645 196333019 /nfs/dbraw/zinc/33/30/19/196333019.db2.gz IKVZBBCOQQPALB-LLVKDONJSA-N 2 2 250.346 0.906 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](OCCO)C1 ZINC000659930131 413980259 /nfs/dbraw/zinc/98/02/59/413980259.db2.gz BCBHRQSQZPOIKR-UONOGXRCSA-N 2 2 274.405 0.161 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](OCCO)C1 ZINC000659930131 413980270 /nfs/dbraw/zinc/98/02/70/413980270.db2.gz BCBHRQSQZPOIKR-UONOGXRCSA-N 2 2 274.405 0.161 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000659930131 413980279 /nfs/dbraw/zinc/98/02/79/413980279.db2.gz BCBHRQSQZPOIKR-UONOGXRCSA-N 2 2 274.405 0.161 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000659930131 413980288 /nfs/dbraw/zinc/98/02/88/413980288.db2.gz BCBHRQSQZPOIKR-UONOGXRCSA-N 2 2 274.405 0.161 20 0 CCADLP C[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000037495175 173235222 /nfs/dbraw/zinc/23/52/22/173235222.db2.gz SBOJMQAORLBAQF-UHFFFAOYSA-N 2 2 253.371 0.612 20 0 CCADLP COC[C@@H](C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1)OC ZINC000660130469 414140194 /nfs/dbraw/zinc/14/01/94/414140194.db2.gz XEHWMFSRLJXQSB-NWDGAFQWSA-N 2 2 253.346 0.871 20 0 CCADLP COC[C@@H](C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1)OC ZINC000660130469 414140200 /nfs/dbraw/zinc/14/02/00/414140200.db2.gz XEHWMFSRLJXQSB-NWDGAFQWSA-N 2 2 253.346 0.871 20 0 CCADLP COCC1(O)CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000660131772 414141172 /nfs/dbraw/zinc/14/11/72/414141172.db2.gz MHJCORGEGFACFW-ZDUSSCGKSA-N 2 2 274.405 0.161 20 0 CCADLP COCC1(O)CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000660131772 414141179 /nfs/dbraw/zinc/14/11/79/414141179.db2.gz MHJCORGEGFACFW-ZDUSSCGKSA-N 2 2 274.405 0.161 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(Cc2cn(C)c[nH+]2)[C@H](C)C1 ZINC000660328546 414243991 /nfs/dbraw/zinc/24/39/91/414243991.db2.gz LJQQDKSNXJSMGI-NEPJUHHUSA-N 2 2 252.362 0.307 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(Cc2cn(C)c[nH+]2)[C@H](C)C1 ZINC000660328546 414244002 /nfs/dbraw/zinc/24/40/02/414244002.db2.gz LJQQDKSNXJSMGI-NEPJUHHUSA-N 2 2 252.362 0.307 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](n2cncn2)C1 ZINC000660323606 414244912 /nfs/dbraw/zinc/24/49/12/414244912.db2.gz AUMLUFYQQJZADB-OLZOCXBDSA-N 2 2 267.377 0.226 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](n2cncn2)C1 ZINC000660323606 414244921 /nfs/dbraw/zinc/24/49/21/414244921.db2.gz AUMLUFYQQJZADB-OLZOCXBDSA-N 2 2 267.377 0.226 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000660323606 414244926 /nfs/dbraw/zinc/24/49/26/414244926.db2.gz AUMLUFYQQJZADB-OLZOCXBDSA-N 2 2 267.377 0.226 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000660323606 414244933 /nfs/dbraw/zinc/24/49/33/414244933.db2.gz AUMLUFYQQJZADB-OLZOCXBDSA-N 2 2 267.377 0.226 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](CCO)[C@@H](C)C2)C[C@H](C)O1 ZINC000660332492 414252796 /nfs/dbraw/zinc/25/27/96/414252796.db2.gz PCXVTLRJKIKLQA-SOUVJXGZSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[NH+](CCO)[C@@H](C)C2)C[C@H](C)O1 ZINC000660332492 414252801 /nfs/dbraw/zinc/25/28/01/414252801.db2.gz PCXVTLRJKIKLQA-SOUVJXGZSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[N@H+](CCO)[C@@H](C)C2)C[C@H](C)O1 ZINC000660332492 414252807 /nfs/dbraw/zinc/25/28/07/414252807.db2.gz PCXVTLRJKIKLQA-SOUVJXGZSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[N@@H+](CCO)[C@@H](C)C2)C[C@H](C)O1 ZINC000660332492 414252812 /nfs/dbraw/zinc/25/28/12/414252812.db2.gz PCXVTLRJKIKLQA-SOUVJXGZSA-N 2 2 285.432 0.094 20 0 CCADLP COC[C@@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660473940 414345710 /nfs/dbraw/zinc/34/57/10/414345710.db2.gz WMJSSVFDXNTOOH-KBPBESRZSA-N 2 2 272.389 0.180 20 0 CCADLP COC[C@@H](O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660473940 414345718 /nfs/dbraw/zinc/34/57/18/414345718.db2.gz WMJSSVFDXNTOOH-KBPBESRZSA-N 2 2 272.389 0.180 20 0 CCADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+]([C@H]1CCCNC1=O)C2 ZINC000660659078 414435186 /nfs/dbraw/zinc/43/51/86/414435186.db2.gz KGBPAHQANRIQFJ-GXTWGEPZSA-N 2 2 251.374 0.683 20 0 CCADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+]([C@H]1CCCNC1=O)C2 ZINC000660659078 414435193 /nfs/dbraw/zinc/43/51/93/414435193.db2.gz KGBPAHQANRIQFJ-GXTWGEPZSA-N 2 2 251.374 0.683 20 0 CCADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+]([C@H]1CCCNC1=O)C2 ZINC000660659078 414435198 /nfs/dbraw/zinc/43/51/98/414435198.db2.gz KGBPAHQANRIQFJ-GXTWGEPZSA-N 2 2 251.374 0.683 20 0 CCADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+]([C@H]1CCCNC1=O)C2 ZINC000660659078 414435202 /nfs/dbraw/zinc/43/52/02/414435202.db2.gz KGBPAHQANRIQFJ-GXTWGEPZSA-N 2 2 251.374 0.683 20 0 CCADLP C[C@@H]1C[NH+](CCN2C[C@H](C)[N@H+](CCO)C[C@H]2C)C[C@@H](C)O1 ZINC000660822212 414490436 /nfs/dbraw/zinc/49/04/36/414490436.db2.gz BIFZDJHFJARSKG-QKPAOTATSA-N 2 2 299.459 0.483 20 0 CCADLP C[C@@H]1C[NH+](CCN2C[C@H](C)[N@@H+](CCO)C[C@H]2C)C[C@@H](C)O1 ZINC000660822212 414490440 /nfs/dbraw/zinc/49/04/40/414490440.db2.gz BIFZDJHFJARSKG-QKPAOTATSA-N 2 2 299.459 0.483 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660843656 414501938 /nfs/dbraw/zinc/50/19/38/414501938.db2.gz GZYAJGXUIFNKQK-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP C[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000660838776 414502504 /nfs/dbraw/zinc/50/25/04/414502504.db2.gz ZFHGDKIKEXVMEX-KGLIPLIRSA-N 2 2 296.415 0.197 20 0 CCADLP C[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000660838776 414502507 /nfs/dbraw/zinc/50/25/07/414502507.db2.gz ZFHGDKIKEXVMEX-KGLIPLIRSA-N 2 2 296.415 0.197 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCO[C@@](C)(C2CC2)C1 ZINC000661173436 414574134 /nfs/dbraw/zinc/57/41/34/414574134.db2.gz XYBNJQYXAMSPFB-UONOGXRCSA-N 2 2 256.390 0.800 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCO[C@@](C)(C2CC2)C1 ZINC000661173436 414574138 /nfs/dbraw/zinc/57/41/38/414574138.db2.gz XYBNJQYXAMSPFB-UONOGXRCSA-N 2 2 256.390 0.800 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661173436 414574140 /nfs/dbraw/zinc/57/41/40/414574140.db2.gz XYBNJQYXAMSPFB-UONOGXRCSA-N 2 2 256.390 0.800 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661173436 414574144 /nfs/dbraw/zinc/57/41/44/414574144.db2.gz XYBNJQYXAMSPFB-UONOGXRCSA-N 2 2 256.390 0.800 20 0 CCADLP O=C1CC[C@H]2C[N@H+](CCCn3cc[nH+]c3)CC[C@H]2N1 ZINC000661599568 414649287 /nfs/dbraw/zinc/64/92/87/414649287.db2.gz DWFQRSOYRFBBCL-QWHCGFSZSA-N 2 2 262.357 0.874 20 0 CCADLP O=C1CC[C@H]2C[N@@H+](CCCn3cc[nH+]c3)CC[C@H]2N1 ZINC000661599568 414649290 /nfs/dbraw/zinc/64/92/90/414649290.db2.gz DWFQRSOYRFBBCL-QWHCGFSZSA-N 2 2 262.357 0.874 20 0 CCADLP CN(Cc1[nH+]ccn1CC(F)(F)F)C[C@@H]1C[NH2+]CCO1 ZINC000662262012 414701608 /nfs/dbraw/zinc/70/16/08/414701608.db2.gz RMBJKZWWUMFNQZ-JTQLQIEISA-N 2 2 292.305 0.866 20 0 CCADLP Cc1cc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)ncn1 ZINC000662264125 414702656 /nfs/dbraw/zinc/70/26/56/414702656.db2.gz AZEVLDJTOYLNQA-CQSZACIVSA-N 2 2 289.383 0.181 20 0 CCADLP Cc1cc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)ncn1 ZINC000662264125 414702657 /nfs/dbraw/zinc/70/26/57/414702657.db2.gz AZEVLDJTOYLNQA-CQSZACIVSA-N 2 2 289.383 0.181 20 0 CCADLP COCCOCCOCCC[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000662276209 414704815 /nfs/dbraw/zinc/70/48/15/414704815.db2.gz KYCKGRICZUEMRX-HUUCEWRRSA-N 2 2 286.416 0.740 20 0 CCADLP COCCOCCOCCC[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000662276209 414704816 /nfs/dbraw/zinc/70/48/16/414704816.db2.gz KYCKGRICZUEMRX-HUUCEWRRSA-N 2 2 286.416 0.740 20 0 CCADLP CN(C(=O)C[NH2+]C1(CO)CC[NH2+]CC1)C1CCCCC1 ZINC000662285589 414706108 /nfs/dbraw/zinc/70/61/08/414706108.db2.gz FGNJSVZGRTYQED-UHFFFAOYSA-N 2 2 283.416 0.482 20 0 CCADLP CC(C)N1CCC[C@@H]([NH2+]C2(CO)CC[NH2+]CC2)C1=O ZINC000662287218 414706510 /nfs/dbraw/zinc/70/65/10/414706510.db2.gz VBBKGUJDTJBGNU-GFCCVEGCSA-N 2 2 269.389 0.090 20 0 CCADLP CN(Cc1cccs1)C(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662286708 414706670 /nfs/dbraw/zinc/70/66/70/414706670.db2.gz YPDKHBRBNSONKF-UHFFFAOYSA-N 2 2 297.424 0.411 20 0 CCADLP Cc1ccc(C)c(C[N@H+](CC[NH3+])C[C@H](O)CO)c1 ZINC000662289229 414707045 /nfs/dbraw/zinc/70/70/45/414707045.db2.gz RPFJSMIHGSCTLR-AWEZNQCLSA-N 2 2 252.358 0.417 20 0 CCADLP Cc1ccc(C)c(C[N@@H+](CC[NH3+])C[C@H](O)CO)c1 ZINC000662289229 414707046 /nfs/dbraw/zinc/70/70/46/414707046.db2.gz RPFJSMIHGSCTLR-AWEZNQCLSA-N 2 2 252.358 0.417 20 0 CCADLP [NH3+]CC[N@H+](CCCc1c(F)cccc1F)C[C@H](O)CO ZINC000662288032 414707093 /nfs/dbraw/zinc/70/70/93/414707093.db2.gz MUVAYVDTQBEXQK-NSHDSACASA-N 2 2 288.338 0.511 20 0 CCADLP [NH3+]CC[N@@H+](CCCc1c(F)cccc1F)C[C@H](O)CO ZINC000662288032 414707094 /nfs/dbraw/zinc/70/70/94/414707094.db2.gz MUVAYVDTQBEXQK-NSHDSACASA-N 2 2 288.338 0.511 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)n1 ZINC000662310204 414708574 /nfs/dbraw/zinc/70/85/74/414708574.db2.gz HVYURWSTCGQGFR-NOZJJQNGSA-N 2 2 266.345 0.732 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)n1 ZINC000662310204 414708575 /nfs/dbraw/zinc/70/85/75/414708575.db2.gz HVYURWSTCGQGFR-NOZJJQNGSA-N 2 2 266.345 0.732 20 0 CCADLP CCCCNC(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662317725 414709123 /nfs/dbraw/zinc/70/91/23/414709123.db2.gz RENBMTHLTWMSLD-CQSZACIVSA-N 2 2 285.432 0.945 20 0 CCADLP CCCCNC(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662317725 414709124 /nfs/dbraw/zinc/70/91/24/414709124.db2.gz RENBMTHLTWMSLD-CQSZACIVSA-N 2 2 285.432 0.945 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[NH2+]CC2)C[C@H](CC(F)(F)F)O1 ZINC000662326116 414710399 /nfs/dbraw/zinc/71/03/99/414710399.db2.gz OFUVUPWUYYKVDN-NEPJUHHUSA-N 2 2 295.349 0.933 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[NH2+]CC2)C[C@H](CC(F)(F)F)O1 ZINC000662326116 414710400 /nfs/dbraw/zinc/71/04/00/414710400.db2.gz OFUVUPWUYYKVDN-NEPJUHHUSA-N 2 2 295.349 0.933 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000662335297 414710846 /nfs/dbraw/zinc/71/08/46/414710846.db2.gz JTYXTSFVQRQLPG-USWWRNFRSA-N 2 2 266.332 0.701 20 0 CCADLP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000662335297 414710847 /nfs/dbraw/zinc/71/08/47/414710847.db2.gz JTYXTSFVQRQLPG-USWWRNFRSA-N 2 2 266.332 0.701 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)C[C@H]1CC1(C)C ZINC000662343136 414711075 /nfs/dbraw/zinc/71/10/75/414711075.db2.gz HQWIXQMKXXXSHQ-OLZOCXBDSA-N 2 2 258.406 0.903 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)C[C@H]1CC1(C)C ZINC000662343136 414711076 /nfs/dbraw/zinc/71/10/76/414711076.db2.gz HQWIXQMKXXXSHQ-OLZOCXBDSA-N 2 2 258.406 0.903 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)C[C@H]1CC1(C)C ZINC000662343136 414711077 /nfs/dbraw/zinc/71/10/77/414711077.db2.gz HQWIXQMKXXXSHQ-OLZOCXBDSA-N 2 2 258.406 0.903 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)C[C@H]1CC1(C)C ZINC000662343136 414711078 /nfs/dbraw/zinc/71/10/78/414711078.db2.gz HQWIXQMKXXXSHQ-OLZOCXBDSA-N 2 2 258.406 0.903 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662152542 414693418 /nfs/dbraw/zinc/69/34/18/414693418.db2.gz VDHIESYRMQFJPN-HNNXBMFYSA-N 3 2 278.400 0.494 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662152542 414693419 /nfs/dbraw/zinc/69/34/19/414693419.db2.gz VDHIESYRMQFJPN-HNNXBMFYSA-N 3 2 278.400 0.494 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254362 414700249 /nfs/dbraw/zinc/70/02/49/414700249.db2.gz HOVUFSQLFHLLDN-NEPJUHHUSA-N 2 2 290.429 0.262 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254362 414700250 /nfs/dbraw/zinc/70/02/50/414700250.db2.gz HOVUFSQLFHLLDN-NEPJUHHUSA-N 2 2 290.429 0.262 20 0 CCADLP COCCCOC1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662256048 414700448 /nfs/dbraw/zinc/70/04/48/414700448.db2.gz IQZLSGMZURFLBD-CQSZACIVSA-N 2 2 272.389 0.492 20 0 CCADLP C[NH2+][C@@H](C)C(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000662757169 414766946 /nfs/dbraw/zinc/76/69/46/414766946.db2.gz KTQAFCNNMRUDPG-UWVGGRQHSA-N 2 2 250.346 0.938 20 0 CCADLP Cc1c[nH+]c2cc(C(=O)N3CCO[C@H](C[NH3+])C3)ccn12 ZINC000662766792 414776060 /nfs/dbraw/zinc/77/60/60/414776060.db2.gz MTKIQVPHUWZKGC-GFCCVEGCSA-N 2 2 274.324 0.442 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662381789 414712744 /nfs/dbraw/zinc/71/27/44/414712744.db2.gz FBLKTUZSXRHEAE-WDEREUQCSA-N 2 2 288.355 0.502 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cccc2c1C[NH2+]C2 ZINC000662388238 414713447 /nfs/dbraw/zinc/71/34/47/414713447.db2.gz OMHWFVFPAGQYKO-LBPRGKRZSA-N 2 2 289.379 0.740 20 0 CCADLP C[N@@H+]1CCN(C(=O)c2ccc3c(c2)CCOC3)[C@@H](C[NH3+])C1 ZINC000662427691 414717513 /nfs/dbraw/zinc/71/75/13/414717513.db2.gz AQADKPBNWFSCHS-HNNXBMFYSA-N 2 2 289.379 0.474 20 0 CCADLP C[N@H+]1CCN(C(=O)c2ccc3c(c2)CCOC3)[C@@H](C[NH3+])C1 ZINC000662427691 414717514 /nfs/dbraw/zinc/71/75/14/414717514.db2.gz AQADKPBNWFSCHS-HNNXBMFYSA-N 2 2 289.379 0.474 20 0 CCADLP C[C@H](CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])[C@@H]1CCCO1 ZINC000662430053 414717702 /nfs/dbraw/zinc/71/77/02/414717702.db2.gz UDTRWLIOVAZQOK-UPJWGTAASA-N 2 2 269.389 0.293 20 0 CCADLP C[C@H](CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])[C@@H]1CCCO1 ZINC000662430053 414717703 /nfs/dbraw/zinc/71/77/03/414717703.db2.gz UDTRWLIOVAZQOK-UPJWGTAASA-N 2 2 269.389 0.293 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662444441 414719062 /nfs/dbraw/zinc/71/90/62/414719062.db2.gz IISIPYICPSNHNO-UHFFFAOYSA-N 2 2 289.339 0.805 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)C[NH2+]CC2CC2)[C@@H](C)CO1 ZINC000662631183 414734822 /nfs/dbraw/zinc/73/48/22/414734822.db2.gz PRFXNGUESBDHCB-RYUDHWBXSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)C[NH2+]CC2CC2)[C@@H](C)CO1 ZINC000662631183 414734823 /nfs/dbraw/zinc/73/48/23/414734823.db2.gz PRFXNGUESBDHCB-RYUDHWBXSA-N 2 2 269.389 0.211 20 0 CCADLP O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662656693 414737524 /nfs/dbraw/zinc/73/75/24/414737524.db2.gz RPWZDKPNJXCILU-ZNMIVQPWSA-N 2 2 293.411 0.450 20 0 CCADLP [NH3+][C@@H](C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000662656289 414737718 /nfs/dbraw/zinc/73/77/18/414737718.db2.gz OYWJAGSDTGVZRP-HUUCEWRRSA-N 2 2 289.379 0.620 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662681965 414740516 /nfs/dbraw/zinc/74/05/16/414740516.db2.gz IGJULCZTFIKGRP-GFCCVEGCSA-N 2 2 281.400 0.485 20 0 CCADLP [NH3+]C1(CC(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)CC1 ZINC000662717995 414746021 /nfs/dbraw/zinc/74/60/21/414746021.db2.gz GDWKFTUUAHVXMM-UHFFFAOYSA-N 2 2 293.371 0.035 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)c1c[nH+]ccc1N ZINC000662860961 414852885 /nfs/dbraw/zinc/85/28/85/414852885.db2.gz WFNIOHUJOKQIBR-MNOVXSKESA-N 2 2 278.356 0.333 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1c[nH+]ccc1N ZINC000662860961 414852889 /nfs/dbraw/zinc/85/28/89/414852889.db2.gz WFNIOHUJOKQIBR-MNOVXSKESA-N 2 2 278.356 0.333 20 0 CCADLP C[C@@H]1CCCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@@H]1CCC[NH3+] ZINC000662891982 414872902 /nfs/dbraw/zinc/87/29/02/414872902.db2.gz AHXBFPIGGWLSHH-MGPQQGTHSA-N 3 2 284.448 0.631 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)C1(OC)CC[NH2+]CC1 ZINC000662899978 414879102 /nfs/dbraw/zinc/87/91/02/414879102.db2.gz JNBZZWKYCJRPJM-LLVKDONJSA-N 2 2 280.372 0.849 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCC[NH2+]CC1)c1[nH+]ccn1C ZINC000662934407 414904492 /nfs/dbraw/zinc/90/44/92/414904492.db2.gz NWBOLXJAOKMONE-WDEREUQCSA-N 2 2 250.346 0.987 20 0 CCADLP C[C@H](NC(=O)NCCC[NH+](C)C)c1[nH+]ccn1C ZINC000663409209 415059386 /nfs/dbraw/zinc/05/93/86/415059386.db2.gz KKNGKTCMCJIHKW-JTQLQIEISA-N 2 2 253.350 0.732 20 0 CCADLP c1nc(N[C@@H]2CC[N@@H+](C3CC3)C2)cc(N2CCOCC2)[nH+]1 ZINC000663428516 415063000 /nfs/dbraw/zinc/06/30/00/415063000.db2.gz MADGNGXRNNDRFY-GFCCVEGCSA-N 2 2 289.383 0.962 20 0 CCADLP c1nc(N[C@@H]2CC[N@H+](C3CC3)C2)cc(N2CCOCC2)[nH+]1 ZINC000663428516 415063007 /nfs/dbraw/zinc/06/30/07/415063007.db2.gz MADGNGXRNNDRFY-GFCCVEGCSA-N 2 2 289.383 0.962 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1cc[nH]n1 ZINC000663714129 415116640 /nfs/dbraw/zinc/11/66/40/415116640.db2.gz NSVHCFWBOSHWIW-UHFFFAOYSA-N 2 2 282.392 0.092 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1cc[nH]n1 ZINC000663714129 415116645 /nfs/dbraw/zinc/11/66/45/415116645.db2.gz NSVHCFWBOSHWIW-UHFFFAOYSA-N 2 2 282.392 0.092 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000044531061 175195883 /nfs/dbraw/zinc/19/58/83/175195883.db2.gz YSERTTBPMOTYFQ-LBPRGKRZSA-N 2 2 296.415 0.816 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000044531061 175195885 /nfs/dbraw/zinc/19/58/85/175195885.db2.gz YSERTTBPMOTYFQ-LBPRGKRZSA-N 2 2 296.415 0.816 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000044763742 175247794 /nfs/dbraw/zinc/24/77/94/175247794.db2.gz MVVOUXVPQHHALB-LBPRGKRZSA-N 2 2 271.405 0.588 20 0 CCADLP Cn1cnc(NCC[N@H+](C)CCC[NH+](C)C)cc1=O ZINC000664245753 415299881 /nfs/dbraw/zinc/29/98/81/415299881.db2.gz RFOORBKOCPATQS-UHFFFAOYSA-N 2 2 267.377 0.076 20 0 CCADLP Cn1cnc(NCC[N@@H+](C)CCC[NH+](C)C)cc1=O ZINC000664245753 415299885 /nfs/dbraw/zinc/29/98/85/415299885.db2.gz RFOORBKOCPATQS-UHFFFAOYSA-N 2 2 267.377 0.076 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000664898143 415486880 /nfs/dbraw/zinc/48/68/80/415486880.db2.gz YPCJQPMAKLJCTG-YNEHKIRRSA-N 2 2 286.420 0.345 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000664898143 415486889 /nfs/dbraw/zinc/48/68/89/415486889.db2.gz YPCJQPMAKLJCTG-YNEHKIRRSA-N 2 2 286.420 0.345 20 0 CCADLP C[C@@H]([NH2+][C@H]1Cc2ccccc2N(C)C1=O)C1C[NH2+]C1 ZINC000665236906 415572528 /nfs/dbraw/zinc/57/25/28/415572528.db2.gz WDQJCUZVZNCDHN-MFKMUULPSA-N 2 2 259.353 0.772 20 0 CCADLP COC[C@H](CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)OC ZINC000665235099 415573120 /nfs/dbraw/zinc/57/31/20/415573120.db2.gz POGUGVZMNIJIHA-IHRRRGAJSA-N 2 2 272.389 0.395 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000071276102 176106580 /nfs/dbraw/zinc/10/65/80/176106580.db2.gz MGJGMTFXSDUNFT-GFCCVEGCSA-N 2 2 258.325 0.606 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC1CC[NH+](C)CC1 ZINC000071913159 176298141 /nfs/dbraw/zinc/29/81/41/176298141.db2.gz NAFDFQLUGZQNLE-LLVKDONJSA-N 2 2 265.361 0.665 20 0 CCADLP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1c[nH+]cn1C ZINC000418106731 228119201 /nfs/dbraw/zinc/11/92/01/228119201.db2.gz CLONYNDLWGLTMB-VXGBXAGGSA-N 2 2 252.362 0.307 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1Cc1c[nH+]cn1C ZINC000418106731 228119203 /nfs/dbraw/zinc/11/92/03/228119203.db2.gz CLONYNDLWGLTMB-VXGBXAGGSA-N 2 2 252.362 0.307 20 0 CCADLP C[C@@H]1CCC[C@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1 ZINC000037255346 544422780 /nfs/dbraw/zinc/42/27/80/544422780.db2.gz MHQRSCILMNLETK-OLZOCXBDSA-N 2 2 253.390 0.929 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000333845722 228216823 /nfs/dbraw/zinc/21/68/23/228216823.db2.gz WENURNOAFGGYQT-QWHCGFSZSA-N 2 2 296.415 0.291 20 0 CCADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1nccs1 ZINC000080308483 544479767 /nfs/dbraw/zinc/47/97/67/544479767.db2.gz IPUDLNSDVHKRHH-SNVBAGLBSA-N 2 2 268.386 0.568 20 0 CCADLP [NH3+]C1(CC(=O)N2CC[NH+](Cc3cccnc3)CC2)CCC1 ZINC000094294656 544543697 /nfs/dbraw/zinc/54/36/97/544543697.db2.gz SYPDPLLRJOQJCN-UHFFFAOYSA-N 2 2 288.395 0.997 20 0 CCADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)o2)C1 ZINC000088539399 544508909 /nfs/dbraw/zinc/50/89/09/544508909.db2.gz MHSZBFHOZIWUTC-SNVBAGLBSA-N 2 2 287.385 0.358 20 0 CCADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)o2)C1 ZINC000088539399 544508913 /nfs/dbraw/zinc/50/89/13/544508913.db2.gz MHSZBFHOZIWUTC-SNVBAGLBSA-N 2 2 287.385 0.358 20 0 CCADLP O=C(C[C@@H]1CC[NH2+]C1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000089745033 544516873 /nfs/dbraw/zinc/51/68/73/544516873.db2.gz AZKGFKZZFCOTPY-AWEZNQCLSA-N 2 2 288.395 0.725 20 0 CCADLP C[C@@](O)(CO)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000090286754 544520924 /nfs/dbraw/zinc/52/09/24/544520924.db2.gz QHSTVNDRFZFHPL-AWEZNQCLSA-N 2 2 261.325 0.705 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccsc1 ZINC000119019027 544565879 /nfs/dbraw/zinc/56/58/79/544565879.db2.gz MRXLYXCDJORPAX-UHFFFAOYSA-N 2 2 267.398 0.954 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccsc1 ZINC000119019027 544565881 /nfs/dbraw/zinc/56/58/81/544565881.db2.gz MRXLYXCDJORPAX-UHFFFAOYSA-N 2 2 267.398 0.954 20 0 CCADLP CCO[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000121113729 544574731 /nfs/dbraw/zinc/57/47/31/544574731.db2.gz AQVIMQHOXIILAY-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP CCO[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000121113729 544574733 /nfs/dbraw/zinc/57/47/33/544574733.db2.gz AQVIMQHOXIILAY-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)NCc2ccco2)CC[N@@H+]1C ZINC000128106287 544609491 /nfs/dbraw/zinc/60/94/91/544609491.db2.gz PJUDXCRSDQWJGW-NEPJUHHUSA-N 2 2 265.357 0.968 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CC(=O)NCc2ccco2)CC[N@H+]1C ZINC000128106287 544609494 /nfs/dbraw/zinc/60/94/94/544609494.db2.gz PJUDXCRSDQWJGW-NEPJUHHUSA-N 2 2 265.357 0.968 20 0 CCADLP C[C@@H](C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[NH+](C)C ZINC000154518920 544671502 /nfs/dbraw/zinc/67/15/02/544671502.db2.gz UBZOPYNHWUDVMX-NWDGAFQWSA-N 2 2 262.357 0.727 20 0 CCADLP C[N@@H+]1CCN(C(=O)c2cccc(-n3cccn3)c2)[C@H](C[NH3+])C1 ZINC000162310399 544712370 /nfs/dbraw/zinc/71/23/70/544712370.db2.gz KOBUYWSBVALKEE-OAHLLOKOSA-N 2 2 299.378 0.587 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]C[C@H]2CCSC2)CC1 ZINC000226376502 544830370 /nfs/dbraw/zinc/83/03/70/544830370.db2.gz USIOROXMPGOQCU-LLVKDONJSA-N 2 2 257.403 0.103 20 0 CCADLP Cn1nc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)c2ccccc21 ZINC000228723410 544845425 /nfs/dbraw/zinc/84/54/25/544845425.db2.gz GADSIVKCYXHXMO-OAHLLOKOSA-N 2 2 276.384 0.976 20 0 CCADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000229100453 544846978 /nfs/dbraw/zinc/84/69/78/544846978.db2.gz IKPCARWNZFCGSN-JTQLQIEISA-N 2 2 256.371 0.788 20 0 CCADLP C[C@@H](C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1)[C@H](C)[NH3+] ZINC000493915721 420316061 /nfs/dbraw/zinc/31/60/61/420316061.db2.gz FOKQTJBTFBLZEO-NEPJUHHUSA-N 2 2 295.387 0.137 20 0 CCADLP O=C(C[NH2+]C1CC1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000237876876 544900523 /nfs/dbraw/zinc/90/05/23/544900523.db2.gz FDSLLTJAWOEOES-LBPRGKRZSA-N 2 2 260.341 0.529 20 0 CCADLP CC[C@H]1C[N@H+](CC(=O)NC2CCOCC2)CC[C@H]1[NH3+] ZINC000251731942 544926970 /nfs/dbraw/zinc/92/69/70/544926970.db2.gz KLOKJOSRFCPOQX-WCQYABFASA-N 2 2 269.389 0.341 20 0 CCADLP CC[C@H]1C[N@@H+](CC(=O)NC2CCOCC2)CC[C@H]1[NH3+] ZINC000251731942 544926973 /nfs/dbraw/zinc/92/69/73/544926973.db2.gz KLOKJOSRFCPOQX-WCQYABFASA-N 2 2 269.389 0.341 20 0 CCADLP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000262094965 544938953 /nfs/dbraw/zinc/93/89/53/544938953.db2.gz HVCULPPTSYPBOZ-NVXWUHKLSA-N 3 2 289.423 0.821 20 0 CCADLP COc1cc[nH+]c(CN2CCCO[C@H](C[NH3+])C2)c1OC ZINC000313349016 545013965 /nfs/dbraw/zinc/01/39/65/545013965.db2.gz UPKSAPBHMXKKGI-LLVKDONJSA-N 2 2 281.356 0.648 20 0 CCADLP CN(C)C(=O)CCC[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000390044002 262090517 /nfs/dbraw/zinc/09/05/17/262090517.db2.gz JPBNDSLKSXBSSN-UHFFFAOYSA-N 2 2 267.377 0.444 20 0 CCADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCc1[nH+]ccn1C ZINC000525755742 262134327 /nfs/dbraw/zinc/13/43/27/262134327.db2.gz XOKKOJLJUYVTRV-AWEZNQCLSA-N 2 2 294.399 0.830 20 0 CCADLP CO[C@H](C[NH3+])C(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000521431471 262332758 /nfs/dbraw/zinc/33/27/58/262332758.db2.gz WWGATQCMRUJIQW-VHSXEESVSA-N 2 2 252.318 0.437 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000488576153 274336520 /nfs/dbraw/zinc/33/65/20/274336520.db2.gz ITVVIJPYUKGPDV-SNPRPXQTSA-N 2 2 288.395 0.752 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000488576153 274336522 /nfs/dbraw/zinc/33/65/22/274336522.db2.gz ITVVIJPYUKGPDV-SNPRPXQTSA-N 2 2 288.395 0.752 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)C[C@H]2CCCO2)CC1 ZINC000341575434 276191063 /nfs/dbraw/zinc/19/10/63/276191063.db2.gz MVKDATFNMOATTD-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@H]2CCCO2)CC1 ZINC000341575434 276191064 /nfs/dbraw/zinc/19/10/64/276191064.db2.gz MVKDATFNMOATTD-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H]1C[NH+]2CCN1CC2 ZINC000355151586 276271452 /nfs/dbraw/zinc/27/14/52/276271452.db2.gz QIGGWEYIEMPNOM-UONOGXRCSA-N 2 2 282.432 0.269 20 0 CCADLP CCOCC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000131356471 276317854 /nfs/dbraw/zinc/31/78/54/276317854.db2.gz AAKJBUKTGKCKHQ-ZDUSSCGKSA-N 2 2 269.389 0.437 20 0 CCADLP CCOCC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000131356471 276317855 /nfs/dbraw/zinc/31/78/55/276317855.db2.gz AAKJBUKTGKCKHQ-ZDUSSCGKSA-N 2 2 269.389 0.437 20 0 CCADLP CC[C@@H](C(N)=O)[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361519484 545082058 /nfs/dbraw/zinc/08/20/58/545082058.db2.gz ONIODTLLJZVGCE-NSHDSACASA-N 2 2 278.356 0.476 20 0 CCADLP COC(=O)COC[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000449194019 277064086 /nfs/dbraw/zinc/06/40/86/277064086.db2.gz WSCYSHWYAMLRCL-TUAOUCFPSA-N 2 2 270.373 0.779 20 0 CCADLP COC(=O)COC[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000449194019 277064087 /nfs/dbraw/zinc/06/40/87/277064087.db2.gz WSCYSHWYAMLRCL-TUAOUCFPSA-N 2 2 270.373 0.779 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000278943159 277064266 /nfs/dbraw/zinc/06/42/66/277064266.db2.gz YEMHKSFJSOQJOG-GFCCVEGCSA-N 2 2 287.363 0.966 20 0 CCADLP C[N@H+]1CCC[C@@H]1C[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000278943159 277064267 /nfs/dbraw/zinc/06/42/67/277064267.db2.gz YEMHKSFJSOQJOG-GFCCVEGCSA-N 2 2 287.363 0.966 20 0 CCADLP COC[C@@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000159089990 277246722 /nfs/dbraw/zinc/24/67/22/277246722.db2.gz BWPVJRGDKHKQNY-KGLIPLIRSA-N 2 2 277.368 0.475 20 0 CCADLP COC[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000159089990 277246723 /nfs/dbraw/zinc/24/67/23/277246723.db2.gz BWPVJRGDKHKQNY-KGLIPLIRSA-N 2 2 277.368 0.475 20 0 CCADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1cn2cccnc2n1 ZINC000459492058 277564289 /nfs/dbraw/zinc/56/42/89/277564289.db2.gz ZNPVDFVSBIQOOB-ZDUSSCGKSA-N 2 2 289.383 0.930 20 0 CCADLP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000336212460 278126070 /nfs/dbraw/zinc/12/60/70/278126070.db2.gz YSIRKRIRVDSFFX-GXTWGEPZSA-N 2 2 265.332 0.846 20 0 CCADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000414800136 278216456 /nfs/dbraw/zinc/21/64/56/278216456.db2.gz YRSXADJDVHCHPH-ZOBORPQBSA-N 3 2 255.406 0.467 20 0 CCADLP C[C@H]([NH3+])C(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000423932247 278223593 /nfs/dbraw/zinc/22/35/93/278223593.db2.gz NXIMWLQJSAEAMZ-QEJZJMRPSA-N 2 2 291.395 0.864 20 0 CCADLP C[C@H]([NH3+])C(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000423932247 278223596 /nfs/dbraw/zinc/22/35/96/278223596.db2.gz NXIMWLQJSAEAMZ-QEJZJMRPSA-N 2 2 291.395 0.864 20 0 CCADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)C1CCOCC1 ZINC000354331429 278351908 /nfs/dbraw/zinc/35/19/08/278351908.db2.gz QWBZCASLCOIOFN-TZMCWYRMSA-N 2 2 255.406 0.637 20 0 CCADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)C1CCOCC1 ZINC000354331429 278351910 /nfs/dbraw/zinc/35/19/10/278351910.db2.gz QWBZCASLCOIOFN-TZMCWYRMSA-N 2 2 255.406 0.637 20 0 CCADLP C[C@H]1OCC[NH2+][C@@H]1C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000262286567 278517971 /nfs/dbraw/zinc/51/79/71/278517971.db2.gz OGZUJASLAPDIQA-MFKMUULPSA-N 2 2 287.323 0.583 20 0 CCADLP Cc1n[nH]cc1C[N@@H+](CCO)C1CC[NH+](C)CC1 ZINC000434977539 279060693 /nfs/dbraw/zinc/06/06/93/279060693.db2.gz IMEQXPXGSWKAMD-UHFFFAOYSA-N 2 2 252.362 0.607 20 0 CCADLP Cc1n[nH]cc1C[N@H+](CCO)C1CC[NH+](C)CC1 ZINC000434977539 279060694 /nfs/dbraw/zinc/06/06/94/279060694.db2.gz IMEQXPXGSWKAMD-UHFFFAOYSA-N 2 2 252.362 0.607 20 0 CCADLP C[C@@H]1[C@@H](C)[NH+](C)CCN1CC[N@H+]1CCOC[C@@H]1C ZINC000337196098 279083072 /nfs/dbraw/zinc/08/30/72/279083072.db2.gz XESLRTDFQZXLTP-BFHYXJOUSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1[C@@H](C)[NH+](C)CCN1CC[N@@H+]1CCOC[C@@H]1C ZINC000337196098 279083075 /nfs/dbraw/zinc/08/30/75/279083075.db2.gz XESLRTDFQZXLTP-BFHYXJOUSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1CC[NH+]1CCOC[C@@H]1C ZINC000337196098 279083076 /nfs/dbraw/zinc/08/30/76/279083076.db2.gz XESLRTDFQZXLTP-BFHYXJOUSA-N 2 2 255.406 0.732 20 0 CCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1CC[NH+]1CCOC[C@@H]1C ZINC000337196098 279083077 /nfs/dbraw/zinc/08/30/77/279083077.db2.gz XESLRTDFQZXLTP-BFHYXJOUSA-N 2 2 255.406 0.732 20 0 CCADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000365193190 279095092 /nfs/dbraw/zinc/09/50/92/279095092.db2.gz URNXOIJQFSCAGF-LBPRGKRZSA-N 2 2 277.434 0.471 20 0 CCADLP CC[NH+](CC)CCC[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000365193190 279095094 /nfs/dbraw/zinc/09/50/94/279095094.db2.gz URNXOIJQFSCAGF-LBPRGKRZSA-N 2 2 277.434 0.471 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N2C[C@@H]3OCC[NH+](C)[C@H]3C2)CCC[N@@H+]1C ZINC000344256550 279122083 /nfs/dbraw/zinc/12/20/83/279122083.db2.gz QGEPMJUANQZLAG-MQYQWHSLSA-N 2 2 296.415 0.194 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N2C[C@@H]3OCC[NH+](C)[C@H]3C2)CCC[N@H+]1C ZINC000344256550 279122084 /nfs/dbraw/zinc/12/20/84/279122084.db2.gz QGEPMJUANQZLAG-MQYQWHSLSA-N 2 2 296.415 0.194 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)CCC[NH+]1C ZINC000344256550 279122085 /nfs/dbraw/zinc/12/20/85/279122085.db2.gz QGEPMJUANQZLAG-MQYQWHSLSA-N 2 2 296.415 0.194 20 0 CCADLP C[C@@H]1[C@H](NC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)CCC[NH+]1C ZINC000344256550 279122086 /nfs/dbraw/zinc/12/20/86/279122086.db2.gz QGEPMJUANQZLAG-MQYQWHSLSA-N 2 2 296.415 0.194 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC000426133847 279170732 /nfs/dbraw/zinc/17/07/32/279170732.db2.gz OGSDXSRMWLSREO-NSHDSACASA-N 2 2 250.346 0.744 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC000426133847 279170734 /nfs/dbraw/zinc/17/07/34/279170734.db2.gz OGSDXSRMWLSREO-NSHDSACASA-N 2 2 250.346 0.744 20 0 CCADLP CC[NH+]1CCC([NH2+][C@H]2CCS(=O)(=O)[C@@H]2C)CC1 ZINC000353935504 279263077 /nfs/dbraw/zinc/26/30/77/279263077.db2.gz WUQOQWDEVPRNTL-PWSUYJOCSA-N 2 2 260.403 0.636 20 0 CCADLP C[C@H](C[NH3+])CNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000417017826 279287610 /nfs/dbraw/zinc/28/76/10/279287610.db2.gz PJVNQAWTHNUOLJ-SNVBAGLBSA-N 2 2 265.361 0.542 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000173882183 279310708 /nfs/dbraw/zinc/31/07/08/279310708.db2.gz QFLBXYFNTOFQIL-GFCCVEGCSA-N 2 2 265.361 0.667 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CNC(=O)NCCn1cc[nH+]c1 ZINC000173882183 279310709 /nfs/dbraw/zinc/31/07/09/279310709.db2.gz QFLBXYFNTOFQIL-GFCCVEGCSA-N 2 2 265.361 0.667 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000417929004 279397950 /nfs/dbraw/zinc/39/79/50/279397950.db2.gz RYHRHTMRTMXAEU-RYUDHWBXSA-N 2 2 277.372 0.697 20 0 CCADLP CC[NH2+]CC[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000423245522 279505030 /nfs/dbraw/zinc/50/50/30/279505030.db2.gz YNBGNMOOWHGVMV-CQSZACIVSA-N 2 2 297.424 0.911 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[C@@]3(CC[NH+](C)C3)C2)CCO1 ZINC000368351284 288173751 /nfs/dbraw/zinc/17/37/51/288173751.db2.gz DFNNPGFVUXJJOH-HUUCEWRRSA-N 2 2 267.417 0.735 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[C@@]3(CC[NH+](C)C3)C2)CCO1 ZINC000368351284 288173752 /nfs/dbraw/zinc/17/37/52/288173752.db2.gz DFNNPGFVUXJJOH-HUUCEWRRSA-N 2 2 267.417 0.735 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[C@@]3(CC[N@H+](C)C3)C2)CCO1 ZINC000368351284 288173753 /nfs/dbraw/zinc/17/37/53/288173753.db2.gz DFNNPGFVUXJJOH-HUUCEWRRSA-N 2 2 267.417 0.735 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[C@@]3(CC[N@@H+](C)C3)C2)CCO1 ZINC000368351284 288173755 /nfs/dbraw/zinc/17/37/55/288173755.db2.gz DFNNPGFVUXJJOH-HUUCEWRRSA-N 2 2 267.417 0.735 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@]2(CCOC2)O1 ZINC000352342387 288184640 /nfs/dbraw/zinc/18/46/40/288184640.db2.gz RTXUDAVEUMBSGF-SNPRPXQTSA-N 2 2 284.400 0.321 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@]2(CCOC2)O1 ZINC000352342387 288184643 /nfs/dbraw/zinc/18/46/43/288184643.db2.gz RTXUDAVEUMBSGF-SNPRPXQTSA-N 2 2 284.400 0.321 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C[C@]2(CCOC2)O1 ZINC000352342387 288184645 /nfs/dbraw/zinc/18/46/45/288184645.db2.gz RTXUDAVEUMBSGF-SNPRPXQTSA-N 2 2 284.400 0.321 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C[C@]2(CCOC2)O1 ZINC000352342387 288184647 /nfs/dbraw/zinc/18/46/47/288184647.db2.gz RTXUDAVEUMBSGF-SNPRPXQTSA-N 2 2 284.400 0.321 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000163292267 280005752 /nfs/dbraw/zinc/00/57/52/280005752.db2.gz VDIVJHMZXKEWCY-TUAOUCFPSA-N 2 2 262.419 0.882 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000163292267 280005754 /nfs/dbraw/zinc/00/57/54/280005754.db2.gz VDIVJHMZXKEWCY-TUAOUCFPSA-N 2 2 262.419 0.882 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H]2CCOC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343871362 288194554 /nfs/dbraw/zinc/19/45/54/288194554.db2.gz IWGHVEOXKCMMDQ-OWCLPIDISA-N 2 2 281.444 0.981 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCOC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343871362 288194557 /nfs/dbraw/zinc/19/45/57/288194557.db2.gz IWGHVEOXKCMMDQ-OWCLPIDISA-N 2 2 281.444 0.981 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@@H+]1CCOC[C@@H]1C)[NH+](C)C ZINC000348820159 280170905 /nfs/dbraw/zinc/17/09/05/280170905.db2.gz WKEYIXZKCKYZEU-QWHCGFSZSA-N 2 2 271.405 0.410 20 0 CCADLP CC(C)[C@H](C(=O)NCC[N@H+]1CCOC[C@@H]1C)[NH+](C)C ZINC000348820159 280170909 /nfs/dbraw/zinc/17/09/09/280170909.db2.gz WKEYIXZKCKYZEU-QWHCGFSZSA-N 2 2 271.405 0.410 20 0 CCADLP CC(C)[C@H](C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)[C@@H](C)[NH3+] ZINC000423393525 280182554 /nfs/dbraw/zinc/18/25/54/280182554.db2.gz YQJILWNIOJCSAW-SYQHCUMBSA-N 2 2 285.432 0.831 20 0 CCADLP CC(C)[C@H](C[NH3+])C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000433116866 280237240 /nfs/dbraw/zinc/23/72/40/280237240.db2.gz MDMBUSNSRWGEAD-AVGNSLFASA-N 2 2 271.405 0.443 20 0 CCADLP Cc1cc(N2CC[C@H]([NH2+][C@@H]3CCCC[C@H]3[NH3+])C2=O)n(C)n1 ZINC000424282751 280576831 /nfs/dbraw/zinc/57/68/31/280576831.db2.gz AFGXVGXMZFPGAZ-UPJWGTAASA-N 2 2 291.399 0.693 20 0 CCADLP C[NH+](C)CCN1CCC(C[NH2+]CC(C)(C)[NH3+])CC1 ZINC000516650893 289152677 /nfs/dbraw/zinc/15/26/77/289152677.db2.gz WHYKCLOOIIRJMC-UHFFFAOYSA-N 3 2 256.438 0.587 20 0 CCADLP C[NH+](C)[C@@H]1CCCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)C1 ZINC000188754296 289295769 /nfs/dbraw/zinc/29/57/69/289295769.db2.gz FNLVVPAUYKECHG-SNVBAGLBSA-N 2 2 277.372 0.222 20 0 CCADLP C[C@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)[C@@H]1CCC[NH2+]1 ZINC000333246044 290045932 /nfs/dbraw/zinc/04/59/32/290045932.db2.gz FSZNXIMWUXCLGI-SRVKXCTJSA-N 2 2 275.418 0.141 20 0 CCADLP [NH3+]C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCOCC1 ZINC000430611886 295246160 /nfs/dbraw/zinc/24/61/60/295246160.db2.gz PYDHQFGPGUCEIB-LBPRGKRZSA-N 2 2 255.362 0.049 20 0 CCADLP [NH3+]C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCOCC1 ZINC000430611886 295246162 /nfs/dbraw/zinc/24/61/62/295246162.db2.gz PYDHQFGPGUCEIB-LBPRGKRZSA-N 2 2 255.362 0.049 20 0 CCADLP [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000246224466 295319650 /nfs/dbraw/zinc/31/96/50/295319650.db2.gz HCXAFWYMDYLCBO-MCIONIFRSA-N 2 2 281.400 0.437 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000449344132 297126217 /nfs/dbraw/zinc/12/62/17/297126217.db2.gz BFDNWXBCBIVAEL-MCIONIFRSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000449344132 297126218 /nfs/dbraw/zinc/12/62/18/297126218.db2.gz BFDNWXBCBIVAEL-MCIONIFRSA-N 2 2 283.416 0.731 20 0 CCADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)COCCOC)C1 ZINC000389211290 545086891 /nfs/dbraw/zinc/08/68/91/545086891.db2.gz BYVYVGPLHPIVLS-OLZOCXBDSA-N 2 2 260.378 0.084 20 0 CCADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)COCCOC)C1 ZINC000389211290 545086892 /nfs/dbraw/zinc/08/68/92/545086892.db2.gz BYVYVGPLHPIVLS-OLZOCXBDSA-N 2 2 260.378 0.084 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCOC[C@H]1C ZINC000394130087 545087960 /nfs/dbraw/zinc/08/79/60/545087960.db2.gz LODZDHSSSYQRCG-OLZOCXBDSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCOC[C@H]1C ZINC000394130087 545087961 /nfs/dbraw/zinc/08/79/61/545087961.db2.gz LODZDHSSSYQRCG-OLZOCXBDSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCOC[C@H]1C ZINC000394130087 545087962 /nfs/dbraw/zinc/08/79/62/545087962.db2.gz LODZDHSSSYQRCG-OLZOCXBDSA-N 2 2 260.378 0.036 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCOC[C@H]1C ZINC000394130087 545087963 /nfs/dbraw/zinc/08/79/63/545087963.db2.gz LODZDHSSSYQRCG-OLZOCXBDSA-N 2 2 260.378 0.036 20 0 CCADLP C[C@H](NC(=O)C[N@H+](C)C[C@@H](O)C[NH3+])c1ccc(Cl)cc1 ZINC000420361470 299047662 /nfs/dbraw/zinc/04/76/62/299047662.db2.gz XXOBIJPSBJKYNI-GWCFXTLKSA-N 2 2 299.802 0.769 20 0 CCADLP C[C@H](NC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])c1ccc(Cl)cc1 ZINC000420361470 299047666 /nfs/dbraw/zinc/04/76/66/299047666.db2.gz XXOBIJPSBJKYNI-GWCFXTLKSA-N 2 2 299.802 0.769 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCN(C)CC[NH+]1CCOC(C)(C)C1 ZINC000337219289 300343960 /nfs/dbraw/zinc/34/39/60/300343960.db2.gz BJNLVDLQIIGTJX-HNNXBMFYSA-N 2 2 299.459 0.750 20 0 CCADLP C[C@H]1COCC[N@H+]1CCN(C)CC[NH+]1CCOC(C)(C)C1 ZINC000337219289 300343962 /nfs/dbraw/zinc/34/39/62/300343962.db2.gz BJNLVDLQIIGTJX-HNNXBMFYSA-N 2 2 299.459 0.750 20 0 CCADLP C[C@H]1COCC[NH+]1CCN(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000337219289 300343964 /nfs/dbraw/zinc/34/39/64/300343964.db2.gz BJNLVDLQIIGTJX-HNNXBMFYSA-N 2 2 299.459 0.750 20 0 CCADLP C[C@H]1COCC[NH+]1CCN(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000337219289 300343965 /nfs/dbraw/zinc/34/39/65/300343965.db2.gz BJNLVDLQIIGTJX-HNNXBMFYSA-N 2 2 299.459 0.750 20 0 CCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cscn1 ZINC000262063171 303372933 /nfs/dbraw/zinc/37/29/33/303372933.db2.gz RIVLSJLEPHVVRA-LBPRGKRZSA-N 2 2 282.413 0.963 20 0 CCADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cscn1 ZINC000262063171 303372934 /nfs/dbraw/zinc/37/29/34/303372934.db2.gz RIVLSJLEPHVVRA-LBPRGKRZSA-N 2 2 282.413 0.963 20 0 CCADLP Cc1csc(CCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])n1 ZINC000582544934 329104581 /nfs/dbraw/zinc/10/45/81/329104581.db2.gz DGQXEMLPPWMHMC-NSHDSACASA-N 2 2 282.413 0.485 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C)[NH+]1CC(C)C1 ZINC000584182028 327061369 /nfs/dbraw/zinc/06/13/69/327061369.db2.gz PEUHBVFJTRAOOT-JHJVBQTASA-N 2 2 253.390 0.878 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C)[NH+]1CC(C)C1 ZINC000584182028 327061370 /nfs/dbraw/zinc/06/13/70/327061370.db2.gz PEUHBVFJTRAOOT-JHJVBQTASA-N 2 2 253.390 0.878 20 0 CCADLP CC[N@H+](C)C[C@@H](O)CN(C)Cc1cn2c([nH+]1)CCCC2 ZINC000565958905 327097112 /nfs/dbraw/zinc/09/71/12/327097112.db2.gz GPQUGQLJIAXOLX-CQSZACIVSA-N 2 2 280.416 0.964 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)CN(C)Cc1cn2c([nH+]1)CCCC2 ZINC000565958905 327097114 /nfs/dbraw/zinc/09/71/14/327097114.db2.gz GPQUGQLJIAXOLX-CQSZACIVSA-N 2 2 280.416 0.964 20 0 CCADLP CCC(CC)(CNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])OC ZINC000584281639 327215651 /nfs/dbraw/zinc/21/56/51/327215651.db2.gz KEKBWYWABAAICS-LBPRGKRZSA-N 2 2 286.420 0.476 20 0 CCADLP CCC(CC)(CNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])OC ZINC000584281639 327215650 /nfs/dbraw/zinc/21/56/50/327215650.db2.gz KEKBWYWABAAICS-LBPRGKRZSA-N 2 2 286.420 0.476 20 0 CCADLP CS(=O)(=O)CC1(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000583693863 329004197 /nfs/dbraw/zinc/00/41/97/329004197.db2.gz MZNWXBHPXBNKFS-LBPRGKRZSA-N 2 2 272.414 0.497 20 0 CCADLP CS(=O)(=O)CC1(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000583693863 329004199 /nfs/dbraw/zinc/00/41/99/329004199.db2.gz MZNWXBHPXBNKFS-LBPRGKRZSA-N 2 2 272.414 0.497 20 0 CCADLP Cn1cc([C@@H]2C[N@H+](C[C@@H]3CCCC[C@@H]3O)C[C@H]2[NH3+])cn1 ZINC000583697955 329068872 /nfs/dbraw/zinc/06/88/72/329068872.db2.gz DUEHNJQZHMLSAZ-MHEUCROKSA-N 2 2 278.400 0.698 20 0 CCADLP Cn1cc([C@@H]2C[N@@H+](C[C@@H]3CCCC[C@@H]3O)C[C@H]2[NH3+])cn1 ZINC000583697955 329068874 /nfs/dbraw/zinc/06/88/74/329068874.db2.gz DUEHNJQZHMLSAZ-MHEUCROKSA-N 2 2 278.400 0.698 20 0 CCADLP CCOC[C@H](C)[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000582541882 329109079 /nfs/dbraw/zinc/10/90/79/329109079.db2.gz PJVIJDMCUOZVDN-XUXIUFHCSA-N 2 2 274.405 0.471 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCc2ccc(O)cc2)[C@H](C[NH3+])C1 ZINC000582654866 329125446 /nfs/dbraw/zinc/12/54/46/329125446.db2.gz VINHGHZODFOVIL-CYBMUJFWSA-N 2 2 292.383 0.219 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCc2ccc(O)cc2)[C@H](C[NH3+])C1 ZINC000582654866 329125448 /nfs/dbraw/zinc/12/54/48/329125448.db2.gz VINHGHZODFOVIL-CYBMUJFWSA-N 2 2 292.383 0.219 20 0 CCADLP CCn1cc[nH+]c1[C@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])C1CCOCC1 ZINC000582720036 329130157 /nfs/dbraw/zinc/13/01/57/329130157.db2.gz XUMFXIWREYFFBD-FRRDWIJNSA-N 2 2 292.383 0.834 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC(C)=C[C@H](C)C1 ZINC000582912698 329287618 /nfs/dbraw/zinc/28/76/18/329287618.db2.gz CDKFFTCOFSHBMQ-GXTWGEPZSA-N 2 2 256.390 0.824 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC(C)=C[C@H](C)C1 ZINC000582912698 329287619 /nfs/dbraw/zinc/28/76/19/329287619.db2.gz CDKFFTCOFSHBMQ-GXTWGEPZSA-N 2 2 256.390 0.824 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC(C)=C[C@H](C)C1 ZINC000582912698 329287621 /nfs/dbraw/zinc/28/76/21/329287621.db2.gz CDKFFTCOFSHBMQ-GXTWGEPZSA-N 2 2 256.390 0.824 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC(C)=C[C@H](C)C1 ZINC000582912698 329287623 /nfs/dbraw/zinc/28/76/23/329287623.db2.gz CDKFFTCOFSHBMQ-GXTWGEPZSA-N 2 2 256.390 0.824 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+][C@H]2CC[C@H](O)CC2)C[C@H](C)O1 ZINC000583138598 329325535 /nfs/dbraw/zinc/32/55/35/329325535.db2.gz BIOJJMMPZXMCCA-AICCOOGYSA-N 2 2 286.416 0.350 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+][C@H]2CC[C@H](O)CC2)C[C@H](C)O1 ZINC000583138598 329325537 /nfs/dbraw/zinc/32/55/37/329325537.db2.gz BIOJJMMPZXMCCA-AICCOOGYSA-N 2 2 286.416 0.350 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)CC1 ZINC000583211721 329368356 /nfs/dbraw/zinc/36/83/56/329368356.db2.gz DYMCOVUPIJDDAN-OLZOCXBDSA-N 3 2 282.432 0.399 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000575742193 335110868 /nfs/dbraw/zinc/11/08/68/335110868.db2.gz SNQPVZVRQXOXLC-AAVRWANBSA-N 2 2 281.400 0.496 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CC(=O)N2CCCC[C@H]12 ZINC000575742196 335110940 /nfs/dbraw/zinc/11/09/40/335110940.db2.gz SNQPVZVRQXOXLC-YIYPIFLZSA-N 2 2 281.400 0.496 20 0 CCADLP CC[NH+]1CCN(CCCNC(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000553314647 334376761 /nfs/dbraw/zinc/37/67/61/334376761.db2.gz RRRLADJJCMEKFO-UHFFFAOYSA-N 2 2 296.459 0.472 20 0 CCADLP CCN1CC[NH+](CCCNC(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000553314647 334376763 /nfs/dbraw/zinc/37/67/63/334376763.db2.gz RRRLADJJCMEKFO-UHFFFAOYSA-N 2 2 296.459 0.472 20 0 CCADLP CCC[NH+](CCC)CCCC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000575866861 335126059 /nfs/dbraw/zinc/12/60/59/335126059.db2.gz NNECYRMNIHSLGU-HNNXBMFYSA-N 3 2 298.475 0.990 20 0 CCADLP CCC[NH+](CCC)CCCC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000575866861 335126060 /nfs/dbraw/zinc/12/60/60/335126060.db2.gz NNECYRMNIHSLGU-HNNXBMFYSA-N 3 2 298.475 0.990 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccc(C)o1 ZINC000311734561 333237150 /nfs/dbraw/zinc/23/71/50/333237150.db2.gz RRHZFNNDEDXIBW-CYBMUJFWSA-N 2 2 270.373 0.959 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccc(C)o1 ZINC000311734561 333237152 /nfs/dbraw/zinc/23/71/52/333237152.db2.gz RRHZFNNDEDXIBW-CYBMUJFWSA-N 2 2 270.373 0.959 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccc(C)o1 ZINC000311734561 333237153 /nfs/dbraw/zinc/23/71/53/333237153.db2.gz RRHZFNNDEDXIBW-CYBMUJFWSA-N 2 2 270.373 0.959 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccc(C)o1 ZINC000311734561 333237154 /nfs/dbraw/zinc/23/71/54/333237154.db2.gz RRHZFNNDEDXIBW-CYBMUJFWSA-N 2 2 270.373 0.959 20 0 CCADLP Cn1cnnc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174237557 335151031 /nfs/dbraw/zinc/15/10/31/335151031.db2.gz QAVAHNYSRJEYSG-UHFFFAOYSA-N 2 2 293.415 0.892 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)CCC[NH+](C)C ZINC000543657732 333887409 /nfs/dbraw/zinc/88/74/09/333887409.db2.gz LGEGMSZLDRHZNM-GFCCVEGCSA-N 2 2 267.377 0.865 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000576239335 335176267 /nfs/dbraw/zinc/17/62/67/335176267.db2.gz XSXOGMHTXNZKKW-SNVBAGLBSA-N 2 2 250.346 0.799 20 0 CCADLP CC[N@H+](C)CCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175687227 335191629 /nfs/dbraw/zinc/19/16/29/335191629.db2.gz HXFPIGHEVMKCDV-UHFFFAOYSA-N 3 2 299.463 0.263 20 0 CCADLP CC[N@@H+](C)CCNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175687227 335191630 /nfs/dbraw/zinc/19/16/30/335191630.db2.gz HXFPIGHEVMKCDV-UHFFFAOYSA-N 3 2 299.463 0.263 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCCOC2CCCC2)[C@@H](C[NH3+])C1 ZINC000576373381 335196166 /nfs/dbraw/zinc/19/61/66/335196166.db2.gz IDBBEGQFMOUJJO-ZDUSSCGKSA-N 2 2 298.431 0.620 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCCOC2CCCC2)[C@@H](C[NH3+])C1 ZINC000576373381 335196167 /nfs/dbraw/zinc/19/61/67/335196167.db2.gz IDBBEGQFMOUJJO-ZDUSSCGKSA-N 2 2 298.431 0.620 20 0 CCADLP C[C@@H]1CC[C@H](CCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])O1 ZINC000576581175 335221752 /nfs/dbraw/zinc/22/17/52/335221752.db2.gz DQQCKOYNYWGZTD-JHJVBQTASA-N 2 2 269.389 0.435 20 0 CCADLP C[C@@H]1CC[C@H](CCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])O1 ZINC000576581175 335221753 /nfs/dbraw/zinc/22/17/53/335221753.db2.gz DQQCKOYNYWGZTD-JHJVBQTASA-N 2 2 269.389 0.435 20 0 CCADLP O=C(C[C@@H]1CCC[NH2+]C1)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000576647500 335230906 /nfs/dbraw/zinc/23/09/06/335230906.db2.gz FKOLTOZQGZDSFE-QWRGUYRKSA-N 2 2 275.343 0.737 20 0 CCADLP CC(C)COC[C@@H](O)C[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000580543795 335270525 /nfs/dbraw/zinc/27/05/25/335270525.db2.gz RZQQNHTZGZKCIF-GJZGRUSLSA-N 2 2 288.432 0.578 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)OC ZINC000577173187 335315478 /nfs/dbraw/zinc/31/54/78/335315478.db2.gz ILAXFOLBDOMAPF-FQUUOJAGSA-N 2 2 284.400 0.573 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)OC ZINC000577173187 335315479 /nfs/dbraw/zinc/31/54/79/335315479.db2.gz ILAXFOLBDOMAPF-FQUUOJAGSA-N 2 2 284.400 0.573 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)OC ZINC000577173187 335315481 /nfs/dbraw/zinc/31/54/81/335315481.db2.gz ILAXFOLBDOMAPF-FQUUOJAGSA-N 2 2 284.400 0.573 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)OC ZINC000577173187 335315482 /nfs/dbraw/zinc/31/54/82/335315482.db2.gz ILAXFOLBDOMAPF-FQUUOJAGSA-N 2 2 284.400 0.573 20 0 CCADLP COC[C@@]1(C(=O)NCCNc2cccc[nH+]2)CC[NH2+]C1 ZINC000577370001 335343771 /nfs/dbraw/zinc/34/37/71/335343771.db2.gz SDJFYILWLKGOPA-CQSZACIVSA-N 2 2 278.356 0.236 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC2CCCCC2)[C@H](C[NH3+])C1 ZINC000577591892 335374895 /nfs/dbraw/zinc/37/48/95/335374895.db2.gz IZLQDPMCZXQYCC-CYBMUJFWSA-N 2 2 268.405 0.851 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC2CCCCC2)[C@H](C[NH3+])C1 ZINC000577591892 335374897 /nfs/dbraw/zinc/37/48/97/335374897.db2.gz IZLQDPMCZXQYCC-CYBMUJFWSA-N 2 2 268.405 0.851 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)Cn1cc[nH+]c1 ZINC000577807998 335402926 /nfs/dbraw/zinc/40/29/26/335402926.db2.gz PGGZCYFGFIMNBD-MCIONIFRSA-N 2 2 292.383 0.593 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+]CC[C@@H](C)O)CC1 ZINC000578061285 335473985 /nfs/dbraw/zinc/47/39/85/335473985.db2.gz KRRBDTFCLNXUHI-GFCCVEGCSA-N 2 2 272.389 0.765 20 0 CCADLP O=C(NCCN1CC[NH2+]CC1)Nc1ccn2cc[nH+]c2c1 ZINC000578978308 335694926 /nfs/dbraw/zinc/69/49/26/335694926.db2.gz SDDLFBZMUUHJDI-UHFFFAOYSA-N 2 2 288.355 0.361 20 0 CCADLP CC[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000182238347 335805391 /nfs/dbraw/zinc/80/53/91/335805391.db2.gz QIQYWWVUGXPGGH-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](CO)c1ccccc1 ZINC000380608771 336007089 /nfs/dbraw/zinc/00/70/89/336007089.db2.gz GOZPFMSBVUHIPM-LSDHHAIUSA-N 2 2 282.384 0.249 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](CO)c1ccccc1 ZINC000380608771 336007090 /nfs/dbraw/zinc/00/70/90/336007090.db2.gz GOZPFMSBVUHIPM-LSDHHAIUSA-N 2 2 282.384 0.249 20 0 CCADLP CCCC[C@@H](COC)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000581121243 336011032 /nfs/dbraw/zinc/01/10/32/336011032.db2.gz WYCYTAASTMSULI-STQMWFEESA-N 2 2 286.420 0.476 20 0 CCADLP CCCC[C@@H](COC)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000581121243 336011033 /nfs/dbraw/zinc/01/10/33/336011033.db2.gz WYCYTAASTMSULI-STQMWFEESA-N 2 2 286.420 0.476 20 0 CCADLP CC(C)[C@@H](CNC(=O)CC(F)(F)C[NH3+])[NH+]1CCOCC1 ZINC000581258435 336033439 /nfs/dbraw/zinc/03/34/39/336033439.db2.gz OGBMRVGZHPEIDV-LLVKDONJSA-N 2 2 293.358 0.444 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N(C)Cc1[nH+]ccn1C ZINC000581546867 336099828 /nfs/dbraw/zinc/09/98/28/336099828.db2.gz LHRGDQQCNZLFHI-UWVGGRQHSA-N 2 2 253.350 0.687 20 0 CCADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N(C)Cc1[nH+]ccn1C ZINC000581546866 336099934 /nfs/dbraw/zinc/09/99/34/336099934.db2.gz LHRGDQQCNZLFHI-NXEZZACHSA-N 2 2 253.350 0.687 20 0 CCADLP C[C@@H]([NH2+]C1CC1)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000382987641 336100895 /nfs/dbraw/zinc/10/08/95/336100895.db2.gz WSKVBXHANGKGNG-LLVKDONJSA-N 2 2 269.389 0.354 20 0 CCADLP C[C@@H]1CCC[C@@H](C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000383102380 336104295 /nfs/dbraw/zinc/10/42/95/336104295.db2.gz FSMIXKYNBCXLTK-JHJVBQTASA-N 2 2 253.390 0.914 20 0 CCADLP C[C@@H]1CCC[C@@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000383102380 336104297 /nfs/dbraw/zinc/10/42/97/336104297.db2.gz FSMIXKYNBCXLTK-JHJVBQTASA-N 2 2 253.390 0.914 20 0 CCADLP CN(C(=O)c1ccc(-n2cc[nH+]c2)nn1)[C@H](C[NH3+])C1CC1 ZINC000581725246 336137898 /nfs/dbraw/zinc/13/78/98/336137898.db2.gz DHIXSYSYRBHWLO-GFCCVEGCSA-N 2 2 286.339 0.472 20 0 CCADLP COC[C@@H](C)C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000581943691 336174180 /nfs/dbraw/zinc/17/41/80/336174180.db2.gz SELVUPWAEBMGKL-LBPRGKRZSA-N 2 2 293.415 0.843 20 0 CCADLP C[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)[NH+](C)C ZINC000455002707 533967329 /nfs/dbraw/zinc/96/73/29/533967329.db2.gz YQCRSYCTRUHKMO-AAEUAGOBSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H](CNC(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)[NH+](C)C ZINC000455002707 533967335 /nfs/dbraw/zinc/96/73/35/533967335.db2.gz YQCRSYCTRUHKMO-AAEUAGOBSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@H](C[NH3+])C(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000423923433 534033531 /nfs/dbraw/zinc/03/35/31/534033531.db2.gz BYXKEDOTSNQOES-NEPJUHHUSA-N 2 2 292.383 0.722 20 0 CCADLP C[C@H](C[NH3+])CNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000418466834 534041329 /nfs/dbraw/zinc/04/13/29/534041329.db2.gz HOOBFGXJDIMTHP-CYBMUJFWSA-N 2 2 291.399 0.504 20 0 CCADLP Cc1nc(N2CC[C@H](C[NH+](C)C)C2)nc(N(C)C)[nH+]1 ZINC000358138665 534435426 /nfs/dbraw/zinc/43/54/26/534435426.db2.gz VMSNIUSIMMNBJJ-LLVKDONJSA-N 2 2 264.377 0.634 20 0 CCADLP Cc1nc(N(C)C)nc(N2CC[C@H](C[NH+](C)C)C2)[nH+]1 ZINC000358138665 534435431 /nfs/dbraw/zinc/43/54/31/534435431.db2.gz VMSNIUSIMMNBJJ-LLVKDONJSA-N 2 2 264.377 0.634 20 0 CCADLP CCOC(=O)CCCC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000157164151 520630958 /nfs/dbraw/zinc/63/09/58/520630958.db2.gz APGCAKCCSMNGLA-UHFFFAOYSA-N 2 2 299.415 0.426 20 0 CCADLP c1nc2cnccn2c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427140724 534537542 /nfs/dbraw/zinc/53/75/42/534537542.db2.gz UQCQCDBUTOMXQV-WCQYABFASA-N 2 2 257.341 0.913 20 0 CCADLP c1nc2cnccn2c1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427140724 534537549 /nfs/dbraw/zinc/53/75/49/534537549.db2.gz UQCQCDBUTOMXQV-WCQYABFASA-N 2 2 257.341 0.913 20 0 CCADLP O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424165571 534593180 /nfs/dbraw/zinc/59/31/80/534593180.db2.gz GBMJBRKJUJHEIZ-QWRGUYRKSA-N 2 2 291.342 0.116 20 0 CCADLP CNS(=O)(=O)[C@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000363473214 522251537 /nfs/dbraw/zinc/25/15/37/522251537.db2.gz ZMXFQCVINWWROW-NEPJUHHUSA-N 2 2 275.418 0.094 20 0 CCADLP CNS(=O)(=O)[C@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000363473214 522251543 /nfs/dbraw/zinc/25/15/43/522251543.db2.gz ZMXFQCVINWWROW-NEPJUHHUSA-N 2 2 275.418 0.094 20 0 CCADLP CNS(=O)(=O)[C@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000363473214 522251548 /nfs/dbraw/zinc/25/15/48/522251548.db2.gz ZMXFQCVINWWROW-NEPJUHHUSA-N 2 2 275.418 0.094 20 0 CCADLP CNS(=O)(=O)[C@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000363473214 522251555 /nfs/dbraw/zinc/25/15/55/522251555.db2.gz ZMXFQCVINWWROW-NEPJUHHUSA-N 2 2 275.418 0.094 20 0 CCADLP Cc1[nH+]c2ccccc2n1CCNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424128376 534688551 /nfs/dbraw/zinc/68/85/51/534688551.db2.gz BXZQOWXTQZALMN-MNOVXSKESA-N 2 2 258.325 0.808 20 0 CCADLP COC(=O)CNC(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000151148782 523193206 /nfs/dbraw/zinc/19/32/06/523193206.db2.gz RLPIQINHLLHCQV-CYBMUJFWSA-N 2 2 297.399 0.226 20 0 CCADLP COC(=O)CNC(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000151148782 523193219 /nfs/dbraw/zinc/19/32/19/523193219.db2.gz RLPIQINHLLHCQV-CYBMUJFWSA-N 2 2 297.399 0.226 20 0 CCADLP CO[C@@H](C)c1noc(C[N@H+](C)CCOCC[NH3+])n1 ZINC000357089369 523480417 /nfs/dbraw/zinc/48/04/17/523480417.db2.gz PMCMTAKMAGBJFZ-VIFPVBQESA-N 2 2 258.322 0.184 20 0 CCADLP CO[C@@H](C)c1noc(C[N@@H+](C)CCOCC[NH3+])n1 ZINC000357089369 523480424 /nfs/dbraw/zinc/48/04/24/523480424.db2.gz PMCMTAKMAGBJFZ-VIFPVBQESA-N 2 2 258.322 0.184 20 0 CCADLP Nc1[nH+]cnc(NC[C@@H]2CCC[N@@H+]2CCCO)c1Cl ZINC000450599797 534747831 /nfs/dbraw/zinc/74/78/31/534747831.db2.gz UCPMNNRNZLZUKX-VIFPVBQESA-N 2 2 285.779 0.393 20 0 CCADLP Nc1[nH+]cnc(NC[C@@H]2CCC[N@H+]2CCCO)c1Cl ZINC000450599797 534747838 /nfs/dbraw/zinc/74/78/38/534747838.db2.gz UCPMNNRNZLZUKX-VIFPVBQESA-N 2 2 285.779 0.393 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)CN2C[C@@H](C)[NH+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000557046314 545102215 /nfs/dbraw/zinc/10/22/15/545102215.db2.gz SDKXHTOMZIVCSQ-NPJQDHAYSA-N 2 2 299.459 0.481 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)CN2C[C@@H](C)[NH+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000557046314 545102216 /nfs/dbraw/zinc/10/22/16/545102216.db2.gz SDKXHTOMZIVCSQ-NPJQDHAYSA-N 2 2 299.459 0.481 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)CN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000557046314 545102217 /nfs/dbraw/zinc/10/22/17/545102217.db2.gz SDKXHTOMZIVCSQ-NPJQDHAYSA-N 2 2 299.459 0.481 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)CN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000557046314 545102218 /nfs/dbraw/zinc/10/22/18/545102218.db2.gz SDKXHTOMZIVCSQ-NPJQDHAYSA-N 2 2 299.459 0.481 20 0 CCADLP CN(C)C(=O)CC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000340713734 523979835 /nfs/dbraw/zinc/97/98/35/523979835.db2.gz NVHLBHPJYMLJDW-UHFFFAOYSA-N 2 2 265.361 0.020 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N1CC[NH+](C2CCC2)CC1 ZINC000340884058 524622255 /nfs/dbraw/zinc/62/22/55/524622255.db2.gz XGIOHWHLQZRGRZ-AWEZNQCLSA-N 2 2 267.417 0.877 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCCn1cc[nH+]c1 ZINC000049153893 524959402 /nfs/dbraw/zinc/95/94/02/524959402.db2.gz MLCOHJKBZFAPCC-NSHDSACASA-N 2 2 262.317 0.468 20 0 CCADLP CC[N@@H+]1CCN(c2cc(NC[C@H](C)O)[nH+]cn2)C[C@@H]1C ZINC000665708737 545104724 /nfs/dbraw/zinc/10/47/24/545104724.db2.gz KBIXJDMMXLTACX-RYUDHWBXSA-N 2 2 279.388 0.800 20 0 CCADLP CC[N@H+]1CCN(c2cc(NC[C@H](C)O)[nH+]cn2)C[C@@H]1C ZINC000665708737 545104725 /nfs/dbraw/zinc/10/47/25/545104725.db2.gz KBIXJDMMXLTACX-RYUDHWBXSA-N 2 2 279.388 0.800 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000262250325 536444638 /nfs/dbraw/zinc/44/46/38/536444638.db2.gz IPDNELKMJADZME-VGVBULKLSA-N 2 2 295.427 0.587 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000262250325 536444640 /nfs/dbraw/zinc/44/46/40/536444640.db2.gz IPDNELKMJADZME-VGVBULKLSA-N 2 2 295.427 0.587 20 0 CCADLP c1nc(N2CC[N@@H+]3CCOC[C@H]3C2)cc(NCC2CC2)[nH+]1 ZINC000363772868 526602544 /nfs/dbraw/zinc/60/25/44/526602544.db2.gz BWKHEGKFCWOVFJ-CYBMUJFWSA-N 2 2 289.383 0.819 20 0 CCADLP c1nc(N2CC[N@H+]3CCOC[C@H]3C2)cc(NCC2CC2)[nH+]1 ZINC000363772868 526602548 /nfs/dbraw/zinc/60/25/48/526602548.db2.gz BWKHEGKFCWOVFJ-CYBMUJFWSA-N 2 2 289.383 0.819 20 0 CCADLP O=C(NCc1[nH+]ccn1CC(F)(F)F)[C@]1(F)CC[NH2+]C1 ZINC000370765690 526830233 /nfs/dbraw/zinc/83/02/33/526830233.db2.gz GLAPNCWJIZRIQM-JTQLQIEISA-N 2 2 294.252 0.763 20 0 CCADLP C[C@@H](NC(=O)N1CC[NH+](C[C@H](C)O)CC1)c1[nH+]ccn1C ZINC000667249963 545141975 /nfs/dbraw/zinc/14/19/75/545141975.db2.gz DLDXHIIUYMKUPW-NWDGAFQWSA-N 2 2 295.387 0.189 20 0 CCADLP C[C@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)c1[nH+]ccn1C ZINC000667252074 545142343 /nfs/dbraw/zinc/14/23/43/545142343.db2.gz AELCPGQWFCPWNW-GWCFXTLKSA-N 2 2 283.376 0.093 20 0 CCADLP CC(C)(C(N)=O)[NH+]1CCN(Cc2c[nH+]c3n2CCC3)CC1 ZINC000667673982 545153457 /nfs/dbraw/zinc/15/34/57/545153457.db2.gz UMWCYSXVNLIKEV-UHFFFAOYSA-N 2 2 291.399 0.211 20 0 CCADLP COCCO[C@@H]1CC[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000668030644 545161824 /nfs/dbraw/zinc/16/18/24/545161824.db2.gz XXFHYHLPZWZBIW-CYBMUJFWSA-N 2 2 253.346 0.966 20 0 CCADLP COCCO[C@@H]1CC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000668030644 545161825 /nfs/dbraw/zinc/16/18/25/545161825.db2.gz XXFHYHLPZWZBIW-CYBMUJFWSA-N 2 2 253.346 0.966 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000668461681 545178748 /nfs/dbraw/zinc/17/87/48/545178748.db2.gz BCTVKJKFRSQKSR-JHJVBQTASA-N 2 2 276.384 0.982 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000668461681 545178749 /nfs/dbraw/zinc/17/87/49/545178749.db2.gz BCTVKJKFRSQKSR-JHJVBQTASA-N 2 2 276.384 0.982 20 0 CCADLP Cn1nnnc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000363755063 527656596 /nfs/dbraw/zinc/65/65/96/527656596.db2.gz CXNIVQWVTRJUJR-WDEREUQCSA-N 2 2 250.350 0.126 20 0 CCADLP Cn1nnnc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000363755063 527656601 /nfs/dbraw/zinc/65/66/01/527656601.db2.gz CXNIVQWVTRJUJR-WDEREUQCSA-N 2 2 250.350 0.126 20 0 CCADLP Cn1nnnc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000363755063 527656607 /nfs/dbraw/zinc/65/66/07/527656607.db2.gz CXNIVQWVTRJUJR-WDEREUQCSA-N 2 2 250.350 0.126 20 0 CCADLP Cn1nnnc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000363755063 527656611 /nfs/dbraw/zinc/65/66/11/527656611.db2.gz CXNIVQWVTRJUJR-WDEREUQCSA-N 2 2 250.350 0.126 20 0 CCADLP O=C(NCC[NH+]1CCSCC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000668638457 545184721 /nfs/dbraw/zinc/18/47/21/545184721.db2.gz JSOJNVJZLBDGRN-NSHDSACASA-N 2 2 294.424 0.680 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000358514673 527722020 /nfs/dbraw/zinc/72/20/20/527722020.db2.gz FWVGQQXRDLKBIL-OLZOCXBDSA-N 2 2 269.389 0.117 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000358514673 527722023 /nfs/dbraw/zinc/72/20/23/527722023.db2.gz FWVGQQXRDLKBIL-OLZOCXBDSA-N 2 2 269.389 0.117 20 0 CCADLP CC(C)NS(=O)(=O)CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422945681 527741417 /nfs/dbraw/zinc/74/14/17/527741417.db2.gz NRFGKADQTVVCOV-GHMZBOCLSA-N 2 2 263.407 0.044 20 0 CCADLP CC1(C)C[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)CO1 ZINC000418077322 527743066 /nfs/dbraw/zinc/74/30/66/527743066.db2.gz LNNKGXCUWVBFTD-STQMWFEESA-N 2 2 256.390 0.990 20 0 CCADLP CC1(C)C[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)CO1 ZINC000418077322 527743067 /nfs/dbraw/zinc/74/30/67/527743067.db2.gz LNNKGXCUWVBFTD-STQMWFEESA-N 2 2 256.390 0.990 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](Cc2cnc3cnccn23)CC1 ZINC000668793036 545190977 /nfs/dbraw/zinc/19/09/77/545190977.db2.gz QHDWPLHLWJYSCG-UHFFFAOYSA-N 2 2 297.366 0.785 20 0 CCADLP CCOC(=O)[C@@H]1C[N@H+](CCn2cc[nH+]c2C)CC12COC2 ZINC000451131239 527884938 /nfs/dbraw/zinc/88/49/38/527884938.db2.gz GYPJGIAJJZULBO-ZDUSSCGKSA-N 2 2 293.367 0.703 20 0 CCADLP CCOC(=O)[C@@H]1C[N@@H+](CCn2cc[nH+]c2C)CC12COC2 ZINC000451131239 527884941 /nfs/dbraw/zinc/88/49/41/527884941.db2.gz GYPJGIAJJZULBO-ZDUSSCGKSA-N 2 2 293.367 0.703 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000451222283 527934127 /nfs/dbraw/zinc/93/41/27/527934127.db2.gz LPMOOTHJSUCGHH-APIJFGDWSA-N 2 2 267.417 0.779 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000451222283 527934130 /nfs/dbraw/zinc/93/41/30/527934130.db2.gz LPMOOTHJSUCGHH-APIJFGDWSA-N 2 2 267.417 0.779 20 0 CCADLP CC[N@H+]1C[C@H](NC[C@H]2CCC[NH+]2CCCO)[C@@H](C)C1 ZINC000449384220 527990259 /nfs/dbraw/zinc/99/02/59/527990259.db2.gz AINOLIQFZWWTOU-ZNMIVQPWSA-N 2 2 269.433 0.763 20 0 CCADLP CC[N@@H+]1C[C@H](NC[C@H]2CCC[NH+]2CCCO)[C@@H](C)C1 ZINC000449384220 527990263 /nfs/dbraw/zinc/99/02/63/527990263.db2.gz AINOLIQFZWWTOU-ZNMIVQPWSA-N 2 2 269.433 0.763 20 0 CCADLP CC[NH+]1C[C@H](NC[C@H]2CCC[N@@H+]2CCCO)[C@@H](C)C1 ZINC000449384220 527990269 /nfs/dbraw/zinc/99/02/69/527990269.db2.gz AINOLIQFZWWTOU-ZNMIVQPWSA-N 2 2 269.433 0.763 20 0 CCADLP CC[NH+]1C[C@H](NC[C@H]2CCC[N@H+]2CCCO)[C@@H](C)C1 ZINC000449384220 527990273 /nfs/dbraw/zinc/99/02/73/527990273.db2.gz AINOLIQFZWWTOU-ZNMIVQPWSA-N 2 2 269.433 0.763 20 0 CCADLP C[C@H](NC(=O)NC[C@@H]1CCCC[NH2+]1)[C@H](C)[NH+]1CCOCC1 ZINC000669463898 545209127 /nfs/dbraw/zinc/20/91/27/545209127.db2.gz AZMUYUCWEYCXBA-IHRRRGAJSA-N 2 2 298.431 0.537 20 0 CCADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1C(=O)NCC(=O)OC ZINC000419356779 528104946 /nfs/dbraw/zinc/10/49/46/528104946.db2.gz NJGLOAIRURCQOO-ZDUSSCGKSA-N 2 2 299.415 0.472 20 0 CCADLP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1C(=O)NCC(=O)OC ZINC000419356779 528104952 /nfs/dbraw/zinc/10/49/52/528104952.db2.gz NJGLOAIRURCQOO-ZDUSSCGKSA-N 2 2 299.415 0.472 20 0 CCADLP C[C@H]([NH3+])c1ccc(NC(=O)CN2CC[NH2+]CC2=O)cc1 ZINC000669512429 545211582 /nfs/dbraw/zinc/21/15/82/545211582.db2.gz TZBHREZTHBZZMV-JTQLQIEISA-N 2 2 276.340 0.077 20 0 CCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000669529812 545212757 /nfs/dbraw/zinc/21/27/57/545212757.db2.gz DAGSEIMFUPKYAW-KGLIPLIRSA-N 3 2 297.447 0.145 20 0 CCADLP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000669529812 545212758 /nfs/dbraw/zinc/21/27/58/545212758.db2.gz DAGSEIMFUPKYAW-KGLIPLIRSA-N 3 2 297.447 0.145 20 0 CCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000669529811 545212870 /nfs/dbraw/zinc/21/28/70/545212870.db2.gz DAGSEIMFUPKYAW-KBPBESRZSA-N 3 2 297.447 0.145 20 0 CCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000669529811 545212871 /nfs/dbraw/zinc/21/28/71/545212871.db2.gz DAGSEIMFUPKYAW-KBPBESRZSA-N 3 2 297.447 0.145 20 0 CCADLP C[C@H]1C[N@@H+](CCN2CC[NH+](C[C@@H]3CCCO3)CC2)CCO1 ZINC000669687474 545219014 /nfs/dbraw/zinc/21/90/14/545219014.db2.gz LZIQJAUWLYUNTJ-HOTGVXAUSA-N 2 2 297.443 0.504 20 0 CCADLP CC[NH2+]CCNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000417893368 528318913 /nfs/dbraw/zinc/31/89/13/528318913.db2.gz RSNTYLONHQQOCN-UHFFFAOYSA-N 2 2 261.329 0.743 20 0 CCADLP CC(C)c1nc(NC[C@]2(O)CC[N@H+](C)C2)cc[nH+]1 ZINC000358329945 528364079 /nfs/dbraw/zinc/36/40/79/528364079.db2.gz CASPOQLBGYEYAB-CYBMUJFWSA-N 2 2 250.346 0.500 20 0 CCADLP CC(C)c1nc(NC[C@]2(O)CC[N@@H+](C)C2)cc[nH+]1 ZINC000358329945 528364084 /nfs/dbraw/zinc/36/40/84/528364084.db2.gz CASPOQLBGYEYAB-CYBMUJFWSA-N 2 2 250.346 0.500 20 0 CCADLP CC[N@@H+]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC000669908648 545223015 /nfs/dbraw/zinc/22/30/15/545223015.db2.gz CJUYAHCJJRVTNQ-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP CC[N@H+]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C[C@@H]1C ZINC000669908648 545223016 /nfs/dbraw/zinc/22/30/16/545223016.db2.gz CJUYAHCJJRVTNQ-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP CCN1CC[C@@H]([NH2+]C2CC[NH+](CCOC)CC2)C1=O ZINC000670160729 545229945 /nfs/dbraw/zinc/22/99/45/545229945.db2.gz RNYIHPRMEYQZRA-CYBMUJFWSA-N 2 2 269.389 0.308 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000423599581 528474650 /nfs/dbraw/zinc/47/46/50/528474650.db2.gz XIZZSELZZBMSJI-QLFBSQMISA-N 2 2 295.427 0.840 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000423599581 528474653 /nfs/dbraw/zinc/47/46/53/528474653.db2.gz XIZZSELZZBMSJI-QLFBSQMISA-N 2 2 295.427 0.840 20 0 CCADLP CCC[NH2+]CCNC(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000418484647 528490300 /nfs/dbraw/zinc/49/03/00/528490300.db2.gz ZEPBQKSHJKFEDC-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)N=c1ccn(CC[NH+](C)C)[nH]1 ZINC000449337165 528537796 /nfs/dbraw/zinc/53/77/96/528537796.db2.gz AGINESHXSJNLIF-NSHDSACASA-N 2 2 267.377 0.193 20 0 CCADLP C[C@@H](C(=O)N(C)C)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670985710 545241051 /nfs/dbraw/zinc/24/10/51/545241051.db2.gz HXGRHEBSYDLLLN-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@@H](C(=O)N(C)C)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670985710 545241052 /nfs/dbraw/zinc/24/10/52/545241052.db2.gz HXGRHEBSYDLLLN-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000423753162 528649789 /nfs/dbraw/zinc/64/97/89/528649789.db2.gz GLXRLGIPGFYKKM-CYBMUJFWSA-N 2 2 283.416 0.731 20 0 CCADLP CCC(CC)(C[NH3+])C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000423753162 528649791 /nfs/dbraw/zinc/64/97/91/528649791.db2.gz GLXRLGIPGFYKKM-CYBMUJFWSA-N 2 2 283.416 0.731 20 0 CCADLP CC(C)Cn1cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cn1 ZINC000358161045 528709846 /nfs/dbraw/zinc/70/98/46/528709846.db2.gz KNDGJFRYZAVLFH-CQSZACIVSA-N 2 2 266.389 0.695 20 0 CCADLP CC(C)Cn1cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cn1 ZINC000358161045 528709851 /nfs/dbraw/zinc/70/98/51/528709851.db2.gz KNDGJFRYZAVLFH-CQSZACIVSA-N 2 2 266.389 0.695 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000672516870 545269541 /nfs/dbraw/zinc/26/95/41/545269541.db2.gz IEPVCUDDSQGXSP-WDEREUQCSA-N 2 2 250.346 0.512 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000428032659 528977638 /nfs/dbraw/zinc/97/76/38/528977638.db2.gz ORFDNBTZNPQZDF-UKRRQHHQSA-N 3 2 294.443 0.271 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000428032659 528977641 /nfs/dbraw/zinc/97/76/41/528977641.db2.gz ORFDNBTZNPQZDF-UKRRQHHQSA-N 3 2 294.443 0.271 20 0 CCADLP CC(C)[NH+]1CCC([NH2+]C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000358263309 529002063 /nfs/dbraw/zinc/00/20/63/529002063.db2.gz XQYHAXYRIGSKHP-AWEZNQCLSA-N 3 2 255.406 0.515 20 0 CCADLP CC(C)[NH+]1CCC([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000358263309 529002066 /nfs/dbraw/zinc/00/20/66/529002066.db2.gz XQYHAXYRIGSKHP-AWEZNQCLSA-N 3 2 255.406 0.515 20 0 CCADLP C[C@@H](C[NH+](C)C)Nc1nc(N2CCOCC2)cc[nH+]1 ZINC000672345000 545268072 /nfs/dbraw/zinc/26/80/72/545268072.db2.gz OBIPPNDWKGSHHJ-NSHDSACASA-N 2 2 265.361 0.675 20 0 CCADLP CCC[C@@H](O)C[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000450380095 529025546 /nfs/dbraw/zinc/02/55/46/529025546.db2.gz QQHUSGHAMKNWHV-CYBMUJFWSA-N 2 2 266.389 0.699 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000417931394 529063072 /nfs/dbraw/zinc/06/30/72/529063072.db2.gz VXJMUPBJOXVJSZ-CHWSQXEVSA-N 2 2 291.399 0.943 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424330780 529130408 /nfs/dbraw/zinc/13/04/08/529130408.db2.gz IIGFKAUXQSAMBU-MGPQQGTHSA-N 3 2 282.432 0.399 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)N[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424330780 529130411 /nfs/dbraw/zinc/13/04/11/529130411.db2.gz IIGFKAUXQSAMBU-MGPQQGTHSA-N 2 2 282.432 0.399 20 0 CCADLP CCC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000343317902 534919782 /nfs/dbraw/zinc/91/97/82/534919782.db2.gz HSGMTKQXNXOMKH-CYBMUJFWSA-N 2 2 285.457 0.978 20 0 CCADLP CCC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000343317902 534919789 /nfs/dbraw/zinc/91/97/89/534919789.db2.gz HSGMTKQXNXOMKH-CYBMUJFWSA-N 2 2 285.457 0.978 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)CCn2cc[nH+]c2)CCO1 ZINC000263835879 535355377 /nfs/dbraw/zinc/35/53/77/535355377.db2.gz VSIJFKOTSHUKEN-UHFFFAOYSA-N 2 2 280.372 0.500 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)CCn2cc[nH+]c2)CCO1 ZINC000263835879 535355382 /nfs/dbraw/zinc/35/53/82/535355382.db2.gz VSIJFKOTSHUKEN-UHFFFAOYSA-N 2 2 280.372 0.500 20 0 CCADLP CC[C@@H](C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)[NH+](C)C ZINC000675720068 545330755 /nfs/dbraw/zinc/33/07/55/545330755.db2.gz HXWFXHYTHSCSTI-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@H](NC(=O)NCCCn1cc[nH+]c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676234163 545337426 /nfs/dbraw/zinc/33/74/26/545337426.db2.gz RUGLUNXRNYWMCE-STQMWFEESA-N 2 2 295.387 0.292 20 0 CCADLP C[C@H](NC(=O)NCCCn1cc[nH+]c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676234163 545337427 /nfs/dbraw/zinc/33/74/27/545337427.db2.gz RUGLUNXRNYWMCE-STQMWFEESA-N 2 2 295.387 0.292 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000676303907 545340412 /nfs/dbraw/zinc/34/04/12/545340412.db2.gz BDUKXYSRSYIMEQ-UONOGXRCSA-N 2 2 298.431 0.441 20 0 CCADLP CC(C)[NH+]1CCN(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000676303907 545340413 /nfs/dbraw/zinc/34/04/13/545340413.db2.gz BDUKXYSRSYIMEQ-UONOGXRCSA-N 2 2 298.431 0.441 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+]CC2([NH3+])CCC2)CC1 ZINC000342091748 535641226 /nfs/dbraw/zinc/64/12/26/535641226.db2.gz CNCGYACOSXSJTB-LBPRGKRZSA-N 3 2 268.405 0.010 20 0 CCADLP CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000676698393 545349078 /nfs/dbraw/zinc/34/90/78/545349078.db2.gz VXMLBRGSYJIIRV-QWHCGFSZSA-N 2 2 292.383 0.282 20 0 CCADLP CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000676698393 545349079 /nfs/dbraw/zinc/34/90/79/545349079.db2.gz VXMLBRGSYJIIRV-QWHCGFSZSA-N 2 2 292.383 0.282 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@@H]1C ZINC000677182242 545360103 /nfs/dbraw/zinc/36/01/03/545360103.db2.gz FAJBOTLXQOICSR-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@@H]1C ZINC000677182242 545360104 /nfs/dbraw/zinc/36/01/04/545360104.db2.gz FAJBOTLXQOICSR-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@@H+]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@@H]1C ZINC000677182244 545360337 /nfs/dbraw/zinc/36/03/37/545360337.db2.gz FAJBOTLXQOICSR-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@@H]1C ZINC000677182244 545360338 /nfs/dbraw/zinc/36/03/38/545360338.db2.gz FAJBOTLXQOICSR-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP CCn1nccc1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362685380 535867731 /nfs/dbraw/zinc/86/77/31/535867731.db2.gz SAJBOPZJENJZRD-CYBMUJFWSA-N 2 2 291.399 0.299 20 0 CCADLP CCn1nccc1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362685380 535867732 /nfs/dbraw/zinc/86/77/32/535867732.db2.gz SAJBOPZJENJZRD-CYBMUJFWSA-N 2 2 291.399 0.299 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000678081548 545383712 /nfs/dbraw/zinc/38/37/12/545383712.db2.gz VJAIALLWBATEGF-ZIAGYGMSSA-N 2 2 281.400 0.580 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000678081548 545383713 /nfs/dbraw/zinc/38/37/13/545383713.db2.gz VJAIALLWBATEGF-ZIAGYGMSSA-N 2 2 281.400 0.580 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000678081546 545383738 /nfs/dbraw/zinc/38/37/38/545383738.db2.gz VJAIALLWBATEGF-KGLIPLIRSA-N 2 2 281.400 0.580 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000678081546 545383739 /nfs/dbraw/zinc/38/37/39/545383739.db2.gz VJAIALLWBATEGF-KGLIPLIRSA-N 2 2 281.400 0.580 20 0 CCADLP COc1ccc(C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)cn1 ZINC000678525184 545393926 /nfs/dbraw/zinc/39/39/26/545393926.db2.gz OTFSQHRTUAJFEJ-UHFFFAOYSA-N 2 2 292.383 0.296 20 0 CCADLP COc1ccc(C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)cn1 ZINC000678525184 545393927 /nfs/dbraw/zinc/39/39/27/545393927.db2.gz OTFSQHRTUAJFEJ-UHFFFAOYSA-N 2 2 292.383 0.296 20 0 CCADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)[C@@H]1COC[C@H]1O ZINC000361394453 536342502 /nfs/dbraw/zinc/34/25/02/536342502.db2.gz FOEKPUQRPLCXGP-ZIAGYGMSSA-N 2 2 268.357 0.793 20 0 CCADLP C[NH+](CCC[N@H+](C)Cc1ccco1)[C@@H]1COC[C@H]1O ZINC000361394453 536342507 /nfs/dbraw/zinc/34/25/07/536342507.db2.gz FOEKPUQRPLCXGP-ZIAGYGMSSA-N 2 2 268.357 0.793 20 0 CCADLP C[NH+](CCC[N@H+](C)[C@@H]1COC[C@H]1O)Cc1ccco1 ZINC000361394453 536342508 /nfs/dbraw/zinc/34/25/08/536342508.db2.gz FOEKPUQRPLCXGP-ZIAGYGMSSA-N 2 2 268.357 0.793 20 0 CCADLP C[NH+](CCC[N@@H+](C)[C@@H]1COC[C@H]1O)Cc1ccco1 ZINC000361394453 536342513 /nfs/dbraw/zinc/34/25/13/536342513.db2.gz FOEKPUQRPLCXGP-ZIAGYGMSSA-N 2 2 268.357 0.793 20 0 CCADLP CC(C)(CO)[NH+]1CCN(CCCn2cc[nH+]c2)CC1 ZINC000678887343 545399558 /nfs/dbraw/zinc/39/95/58/545399558.db2.gz QZSXWGZZHLXBDR-UHFFFAOYSA-N 2 2 266.389 0.662 20 0 CCADLP C[NH2+][C@H](C)CNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000261621743 536401209 /nfs/dbraw/zinc/40/12/09/536401209.db2.gz BJZDZABZPRVVCL-CYBMUJFWSA-N 2 2 291.395 0.857 20 0 CCADLP CN1CC[NH+](Cc2cccc(NC(=O)CC[NH3+])c2)CC1 ZINC000262662228 536416693 /nfs/dbraw/zinc/41/66/93/536416693.db2.gz YXFOQGKNISTDRT-UHFFFAOYSA-N 2 2 276.384 0.721 20 0 CCADLP Cc1[nH]ncc1[C@@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000679341333 545407380 /nfs/dbraw/zinc/40/73/80/545407380.db2.gz SGGCIEMNTVLHCX-SNVBAGLBSA-N 2 2 252.362 0.825 20 0 CCADLP COC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000263264355 536657703 /nfs/dbraw/zinc/65/77/03/536657703.db2.gz URKXYIYNEYMXMW-OAHLLOKOSA-N 2 2 291.395 0.613 20 0 CCADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)[nH]1 ZINC000357138448 536670124 /nfs/dbraw/zinc/67/01/24/536670124.db2.gz WXJAUVIDFXNYNX-MNOVXSKESA-N 2 2 263.341 0.843 20 0 CCADLP COC(=O)c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)[nH]1 ZINC000357138448 536670130 /nfs/dbraw/zinc/67/01/30/536670130.db2.gz WXJAUVIDFXNYNX-MNOVXSKESA-N 2 2 263.341 0.843 20 0 CCADLP C[C@@H](C(=O)NC(C)(C)CCN1CC[NH+](C)CC1)[NH+](C)C ZINC000681206123 545445502 /nfs/dbraw/zinc/44/55/02/545445502.db2.gz FUTXWVXTSUWISY-ZDUSSCGKSA-N 2 2 284.448 0.469 20 0 CCADLP Cc1nccnc1[C@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000682132193 545473301 /nfs/dbraw/zinc/47/33/01/545473301.db2.gz DCYSSECVSYFGHG-LBPRGKRZSA-N 2 2 277.372 0.210 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@@H](C)C[N@@H+]1C ZINC000682520815 545482062 /nfs/dbraw/zinc/48/20/62/545482062.db2.gz SMPCYLQZVDBHOY-FRRDWIJNSA-N 2 2 276.384 0.997 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@@H](C)C[N@H+]1C ZINC000682520815 545482063 /nfs/dbraw/zinc/48/20/63/545482063.db2.gz SMPCYLQZVDBHOY-FRRDWIJNSA-N 2 2 276.384 0.997 20 0 CCADLP C[NH+](C)CCOCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000682525132 545482414 /nfs/dbraw/zinc/48/24/14/545482414.db2.gz HVJFIALXYFHGSE-LBPRGKRZSA-N 2 2 280.372 0.140 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)CCCC[NH+](C)C)CCO1 ZINC000683880734 545575419 /nfs/dbraw/zinc/57/54/19/545575419.db2.gz JBCWGMLZSGUZNO-AWEZNQCLSA-N 2 2 285.432 0.945 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)CCCC[NH+](C)C)CCO1 ZINC000683880734 545575421 /nfs/dbraw/zinc/57/54/21/545575421.db2.gz JBCWGMLZSGUZNO-AWEZNQCLSA-N 2 2 285.432 0.945 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3=CCOCC3)C2)CC1 ZINC000684440018 545671221 /nfs/dbraw/zinc/67/12/21/545671221.db2.gz DDIGMVIWZMDRID-CQSZACIVSA-N 2 2 293.411 0.618 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3=CCOCC3)C2)CC1 ZINC000684440018 545671222 /nfs/dbraw/zinc/67/12/22/545671222.db2.gz DDIGMVIWZMDRID-CQSZACIVSA-N 2 2 293.411 0.618 20 0 CCADLP C1=CC[N@H+](CCNc2nc(N3CCOCC3)cc[nH+]2)CC1 ZINC000684599175 545711782 /nfs/dbraw/zinc/71/17/82/545711782.db2.gz NIPCDPSQXLNXNI-UHFFFAOYSA-N 2 2 289.383 0.987 20 0 CCADLP C1=CC[N@@H+](CCNc2nc(N3CCOCC3)cc[nH+]2)CC1 ZINC000684599175 545711785 /nfs/dbraw/zinc/71/17/85/545711785.db2.gz NIPCDPSQXLNXNI-UHFFFAOYSA-N 2 2 289.383 0.987 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC000790132245 581177512 /nfs/dbraw/zinc/17/75/12/581177512.db2.gz MSSGSDNLQHMNGU-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@H](CCO)[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000779395996 581183676 /nfs/dbraw/zinc/18/36/76/581183676.db2.gz FMEYHFGCGQUDKV-CYBMUJFWSA-N 3 2 269.433 0.906 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH+]2CCCC2)C[C@@H](C2CC2)O1 ZINC000791559192 581224736 /nfs/dbraw/zinc/22/47/36/581224736.db2.gz RWBHLTFIEZSTNV-YUELXQCFSA-N 2 2 268.401 0.942 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+]2CCCC2)C[C@@H](C2CC2)O1 ZINC000791559192 581224737 /nfs/dbraw/zinc/22/47/37/581224737.db2.gz RWBHLTFIEZSTNV-YUELXQCFSA-N 2 2 268.401 0.942 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000726255690 581233908 /nfs/dbraw/zinc/23/39/08/581233908.db2.gz JIIBRBWDMSPRMD-STQMWFEESA-N 2 2 286.420 0.347 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000726255690 581233910 /nfs/dbraw/zinc/23/39/10/581233910.db2.gz JIIBRBWDMSPRMD-STQMWFEESA-N 2 2 286.420 0.347 20 0 CCADLP COc1ccccc1[C@@H](CO)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000782067014 581286830 /nfs/dbraw/zinc/28/68/30/581286830.db2.gz IBVZWWJUHRNUIX-DZGCQCFKSA-N 2 2 294.395 0.775 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2CC=CCC2)C1 ZINC000783990390 581369840 /nfs/dbraw/zinc/36/98/40/581369840.db2.gz BCMISQWNLNKFKI-GFCCVEGCSA-N 2 2 260.341 0.955 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2CC=CCC2)C1 ZINC000783990390 581369843 /nfs/dbraw/zinc/36/98/43/581369843.db2.gz BCMISQWNLNKFKI-GFCCVEGCSA-N 2 2 260.341 0.955 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]CC1CCC2(CC1)OCCO2 ZINC000795935252 581427877 /nfs/dbraw/zinc/42/78/77/581427877.db2.gz NSWHANTVBWDVMA-OAHLLOKOSA-N 2 2 297.443 0.755 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]CC1CCC2(CC1)OCCO2 ZINC000795935252 581427878 /nfs/dbraw/zinc/42/78/78/581427878.db2.gz NSWHANTVBWDVMA-OAHLLOKOSA-N 2 2 297.443 0.755 20 0 CCADLP CON(C)C(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000796461120 581441545 /nfs/dbraw/zinc/44/15/45/581441545.db2.gz KBNZUOQGBZNEGQ-FOSCPWQOSA-N 2 2 255.362 0.563 20 0 CCADLP CON(C)C(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000796461120 581441546 /nfs/dbraw/zinc/44/15/46/581441546.db2.gz KBNZUOQGBZNEGQ-FOSCPWQOSA-N 2 2 255.362 0.563 20 0 CCADLP CON(C)C(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000796461120 581441547 /nfs/dbraw/zinc/44/15/47/581441547.db2.gz KBNZUOQGBZNEGQ-FOSCPWQOSA-N 2 2 255.362 0.563 20 0 CCADLP CON(C)C(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000796461120 581441548 /nfs/dbraw/zinc/44/15/48/581441548.db2.gz KBNZUOQGBZNEGQ-FOSCPWQOSA-N 2 2 255.362 0.563 20 0 CCADLP CO[C@@H](C)C[NH+](C)CC(O)C[N@@H+](C)C[C@H](C)OC ZINC000796641918 581447098 /nfs/dbraw/zinc/44/70/98/581447098.db2.gz MLEGXHSWFHCPFS-RYUDHWBXSA-N 2 2 262.394 0.281 20 0 CCADLP CO[C@@H](C)C[NH+](C)CC(O)C[N@H+](C)C[C@H](C)OC ZINC000796641918 581447100 /nfs/dbraw/zinc/44/71/00/581447100.db2.gz MLEGXHSWFHCPFS-RYUDHWBXSA-N 2 2 262.394 0.281 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@H+](CN2CC3(CC2=O)CCOCC3)C1 ZINC000753100495 581527813 /nfs/dbraw/zinc/52/78/13/581527813.db2.gz LVBPWFQPJIULML-CQSZACIVSA-N 2 2 295.427 0.857 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@@H+](CN2CC3(CC2=O)CCOCC3)C1 ZINC000753100495 581527815 /nfs/dbraw/zinc/52/78/15/581527815.db2.gz LVBPWFQPJIULML-CQSZACIVSA-N 2 2 295.427 0.857 20 0 CCADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC1=[NH+]CCS1 ZINC000740749600 581550026 /nfs/dbraw/zinc/55/00/26/581550026.db2.gz HASFKOYVJODMFL-LLVKDONJSA-N 2 2 285.413 0.999 20 0 CCADLP CC[N@@H+]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC000754227496 581581554 /nfs/dbraw/zinc/58/15/54/581581554.db2.gz YPAWYQIHCDAFTI-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP CC[N@H+]1CCN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC000754227496 581581555 /nfs/dbraw/zinc/58/15/55/581581555.db2.gz YPAWYQIHCDAFTI-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP C[NH+]1CCC2(CCN2C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000754418954 581590970 /nfs/dbraw/zinc/59/09/70/581590970.db2.gz AHSGUYKWLIUXMG-GFCCVEGCSA-N 2 2 267.373 0.014 20 0 CCADLP C[NH+]1CCC2(CCN2C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000754418954 581590972 /nfs/dbraw/zinc/59/09/72/581590972.db2.gz AHSGUYKWLIUXMG-GFCCVEGCSA-N 2 2 267.373 0.014 20 0 CCADLP O=C(NCCC[NH+]1CCOCC1)c1cccc2[nH+]ccn21 ZINC000770394539 581741545 /nfs/dbraw/zinc/74/15/45/581741545.db2.gz AICSMIRXZFFNKF-UHFFFAOYSA-N 2 2 288.351 0.786 20 0 CCADLP CC(C)[NH2+]C1CC[NH+](CCN2CCOC2=O)CC1 ZINC000731031765 581751607 /nfs/dbraw/zinc/75/16/07/581751607.db2.gz FNYPNSQPQXLBRF-UHFFFAOYSA-N 2 2 255.362 0.901 20 0 CCADLP COCC[NH+]1CCN(c2nc(N3CCCC3)cc[nH+]2)CC1 ZINC000742390603 581780929 /nfs/dbraw/zinc/78/09/29/581780929.db2.gz VZMFKDAEDOGIAK-UHFFFAOYSA-N 2 2 291.399 0.845 20 0 CCADLP OCC[N@H+](CCc1ccccc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000733029947 581859879 /nfs/dbraw/zinc/85/98/79/581859879.db2.gz MVQIHBJISXCDBG-KRWDZBQOSA-N 2 2 292.423 0.980 20 0 CCADLP OCC[N@@H+](CCc1ccccc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000733029947 581859885 /nfs/dbraw/zinc/85/98/85/581859885.db2.gz MVQIHBJISXCDBG-KRWDZBQOSA-N 2 2 292.423 0.980 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCS2(=O)=O)CC[N@@H+]1C ZINC000156159572 581876456 /nfs/dbraw/zinc/87/64/56/581876456.db2.gz UEYKUEFCSGPMOG-WOPDTQHZSA-N 2 2 260.403 0.636 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCS2(=O)=O)CC[N@H+]1C ZINC000156159572 581876459 /nfs/dbraw/zinc/87/64/59/581876459.db2.gz UEYKUEFCSGPMOG-WOPDTQHZSA-N 2 2 260.403 0.636 20 0 CCADLP O=C1CCCN1[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000761114004 581888941 /nfs/dbraw/zinc/88/89/41/581888941.db2.gz KSDBSWJHWKECIY-KGLIPLIRSA-N 2 2 281.400 0.140 20 0 CCADLP O=C1CCCN1[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000761114004 581888945 /nfs/dbraw/zinc/88/89/45/581888945.db2.gz KSDBSWJHWKECIY-KGLIPLIRSA-N 2 2 281.400 0.140 20 0 CCADLP CC(C)c1[nH+]ccn1CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000746255775 581905010 /nfs/dbraw/zinc/90/50/10/581905010.db2.gz RQIPEOCCXOLOMW-LBPRGKRZSA-N 2 2 280.372 0.453 20 0 CCADLP CC(C)c1[nH+]ccn1CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000746255775 581905014 /nfs/dbraw/zinc/90/50/14/581905014.db2.gz RQIPEOCCXOLOMW-LBPRGKRZSA-N 2 2 280.372 0.453 20 0 CCADLP C[NH+](C)CCOC1CC[NH+](Cn2ccsc2=O)CC1 ZINC000746616478 581920527 /nfs/dbraw/zinc/92/05/27/581920527.db2.gz UTBYXMRTBIXKHU-UHFFFAOYSA-N 2 2 285.413 0.910 20 0 CCADLP C[C@@H]1CC(=O)N(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)C1 ZINC000746643238 581921726 /nfs/dbraw/zinc/92/17/26/581921726.db2.gz GIUUOSDDRPGCTC-KBUPBQIOSA-N 2 2 295.427 0.996 20 0 CCADLP C[C@@H]1CC(=O)N(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)C1 ZINC000746643238 581921728 /nfs/dbraw/zinc/92/17/28/581921728.db2.gz GIUUOSDDRPGCTC-KBUPBQIOSA-N 2 2 295.427 0.996 20 0 CCADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H]2CCOC2=O)C1 ZINC000746675775 581922275 /nfs/dbraw/zinc/92/22/75/581922275.db2.gz OWIQXJWYVWCRFF-STQMWFEESA-N 2 2 270.373 0.735 20 0 CCADLP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H]2CCOC2=O)C1 ZINC000746675775 581922276 /nfs/dbraw/zinc/92/22/76/581922276.db2.gz OWIQXJWYVWCRFF-STQMWFEESA-N 2 2 270.373 0.735 20 0 CCADLP C[NH+](C)C1(C(=O)NCC[N@@H+]2CCOCC2(C)C)CCC1 ZINC000763039369 581979289 /nfs/dbraw/zinc/97/92/89/581979289.db2.gz QAHLWLBBDYFRHL-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+](C)C1(C(=O)NCC[N@H+]2CCOCC2(C)C)CCC1 ZINC000763039369 581979291 /nfs/dbraw/zinc/97/92/91/581979291.db2.gz QAHLWLBBDYFRHL-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000748555673 581980264 /nfs/dbraw/zinc/98/02/64/581980264.db2.gz JRTDZDBCJGRIMA-CYBMUJFWSA-N 2 2 285.351 0.978 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000748555673 581980266 /nfs/dbraw/zinc/98/02/66/581980266.db2.gz JRTDZDBCJGRIMA-CYBMUJFWSA-N 2 2 285.351 0.978 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)OC)C[C@H]1C ZINC000774646898 581986700 /nfs/dbraw/zinc/98/67/00/581986700.db2.gz PUMOERGZUTZUIT-NEPJUHHUSA-N 2 2 257.378 0.811 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)OC)C[C@H]1C ZINC000774646898 581986702 /nfs/dbraw/zinc/98/67/02/581986702.db2.gz PUMOERGZUTZUIT-NEPJUHHUSA-N 2 2 257.378 0.811 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)OC)C[C@H]1C ZINC000774646898 581986703 /nfs/dbraw/zinc/98/67/03/581986703.db2.gz PUMOERGZUTZUIT-NEPJUHHUSA-N 2 2 257.378 0.811 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)OC)C[C@H]1C ZINC000774646898 581986704 /nfs/dbraw/zinc/98/67/04/581986704.db2.gz PUMOERGZUTZUIT-NEPJUHHUSA-N 2 2 257.378 0.811 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1C ZINC000749255836 582001569 /nfs/dbraw/zinc/00/15/69/582001569.db2.gz FQOBPVJTYFLMDI-VXGBXAGGSA-N 2 2 262.357 0.608 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[N@H+]1C ZINC000749255836 582001572 /nfs/dbraw/zinc/00/15/72/582001572.db2.gz FQOBPVJTYFLMDI-VXGBXAGGSA-N 2 2 262.357 0.608 20 0 CCADLP C[C@H](CS(C)(=O)=O)[NH2+]Cc1cccnc1-n1cc[nH+]c1 ZINC000775371357 582021058 /nfs/dbraw/zinc/02/10/58/582021058.db2.gz MUPMLIURFYGMIM-LLVKDONJSA-N 2 2 294.380 0.790 20 0 CCADLP Cc1cc(N2CC[NH+](CC[S@@](C)=O)CC2)cc[nH+]1 ZINC000775480550 582026329 /nfs/dbraw/zinc/02/63/29/582026329.db2.gz OPTSSBYYWFHWQF-GOSISDBHSA-N 2 2 267.398 0.891 20 0 CCADLP CNC(=O)CC[NH+]1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000750830622 582060552 /nfs/dbraw/zinc/06/05/52/582060552.db2.gz QKBIAJLVLCMYBN-SNVBAGLBSA-N 2 2 270.402 0.231 20 0 CCADLP Cn1c[nH+]cc1CN1CC[NH+](CCCCO)CC1 ZINC000751475928 582083333 /nfs/dbraw/zinc/08/33/33/582083333.db2.gz RMZOYBKKQLEOFV-UHFFFAOYSA-N 2 2 252.362 0.310 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C[NH2+]C(C)C ZINC000877432466 615566985 /nfs/dbraw/zinc/56/69/85/615566985.db2.gz DTBQFMAWHMPSBV-GFCCVEGCSA-N 2 2 257.378 0.211 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C[NH2+]C(C)C ZINC000877432466 615566986 /nfs/dbraw/zinc/56/69/86/615566986.db2.gz DTBQFMAWHMPSBV-GFCCVEGCSA-N 2 2 257.378 0.211 20 0 CCADLP COCCS(=O)(=O)CCC[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000843364502 616606293 /nfs/dbraw/zinc/60/62/93/616606293.db2.gz KTDFOSCENIGNFV-NEPJUHHUSA-N 2 2 278.418 0.107 20 0 CCADLP COCCS(=O)(=O)CCC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000843364502 616606294 /nfs/dbraw/zinc/60/62/94/616606294.db2.gz KTDFOSCENIGNFV-NEPJUHHUSA-N 2 2 278.418 0.107 20 0 CCADLP NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+]CC1([NH3+])CC1)CCC2 ZINC000902408129 634379321 /nfs/dbraw/zinc/37/93/21/634379321.db2.gz XBFLSJXTMHJONN-ZDUSSCGKSA-N 2 2 295.408 0.792 20 0 CCADLP C[C@@H]([NH3+])[C@H]([NH2+]CCCNS(C)(=O)=O)c1ccccc1 ZINC000925517196 617178400 /nfs/dbraw/zinc/17/84/00/617178400.db2.gz KBCYMYSZBXAION-YPMHNXCESA-N 2 2 285.413 0.604 20 0 CCADLP CC(C)NC(=O)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903815711 613916080 /nfs/dbraw/zinc/91/60/80/613916080.db2.gz QKNSWAATDLBOFP-UHFFFAOYSA-N 2 2 269.389 0.356 20 0 CCADLP CC(C)NC(=O)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903815711 613916082 /nfs/dbraw/zinc/91/60/82/613916082.db2.gz QKNSWAATDLBOFP-UHFFFAOYSA-N 2 2 269.389 0.356 20 0 CCADLP CC(C)OC[C@@H](O)C[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000923393390 614027712 /nfs/dbraw/zinc/02/77/12/614027712.db2.gz PMULSELUQHFWRB-MOKVOYLWSA-N 2 2 256.390 0.976 20 0 CCADLP CC(C)OC[C@@H](O)C[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000923393390 614027714 /nfs/dbraw/zinc/02/77/14/614027714.db2.gz PMULSELUQHFWRB-MOKVOYLWSA-N 2 2 256.390 0.976 20 0 CCADLP CC(C)[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)[NH+]1CCOCC1 ZINC000848983847 614095287 /nfs/dbraw/zinc/09/52/87/614095287.db2.gz MLGVWZZPXHQCIQ-UONOGXRCSA-N 2 2 298.431 0.636 20 0 CCADLP CC(C)[C@@H](CNC(=[NH2+])NC[C@H]1CCCO1)[NH+]1CCOCC1 ZINC000848983848 614095290 /nfs/dbraw/zinc/09/52/90/614095290.db2.gz MLGVWZZPXHQCIQ-ZIAGYGMSSA-N 2 2 298.431 0.636 20 0 CCADLP CC(C)(CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1)n1cc[nH+]c1 ZINC000898910587 614093620 /nfs/dbraw/zinc/09/36/20/614093620.db2.gz UGBWFSNKPQIWRX-CYBMUJFWSA-N 2 2 292.383 0.455 20 0 CCADLP CC(C)(O)C[C@@H](O)C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931516362 614200655 /nfs/dbraw/zinc/20/06/55/614200655.db2.gz MHSFIOYHSGMSCT-SNVBAGLBSA-N 2 2 265.357 0.544 20 0 CCADLP CC(C)(O)C[C@@H](O)C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931516362 614200658 /nfs/dbraw/zinc/20/06/58/614200658.db2.gz MHSFIOYHSGMSCT-SNVBAGLBSA-N 2 2 265.357 0.544 20 0 CCADLP CC(C)[C@H](C[NH2+][C@@H](C)c1cnn(C)n1)N1CC[NH+](C)CC1 ZINC000924631668 614210376 /nfs/dbraw/zinc/21/03/76/614210376.db2.gz NZUWYGAMVVUWHM-ZFWWWQNUSA-N 2 2 294.447 0.738 20 0 CCADLP COc1cccc(OC)c1OC[C@@H](O)C[N@H+](C)C[C@@H](C)[NH3+] ZINC000923411875 617306133 /nfs/dbraw/zinc/30/61/33/617306133.db2.gz UUQNKVWYYMKEES-NEPJUHHUSA-N 2 2 298.383 0.723 20 0 CCADLP COc1cccc(OC)c1OC[C@@H](O)C[N@@H+](C)C[C@@H](C)[NH3+] ZINC000923411875 617306134 /nfs/dbraw/zinc/30/61/34/617306134.db2.gz UUQNKVWYYMKEES-NEPJUHHUSA-N 2 2 298.383 0.723 20 0 CCADLP C/C=C/[C@H](O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900668764 613194147 /nfs/dbraw/zinc/19/41/47/613194147.db2.gz GYFOBORJTKBTFK-WFVIONGDSA-N 2 2 295.427 0.550 20 0 CCADLP C/C=C/[C@H](O)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900668764 613194150 /nfs/dbraw/zinc/19/41/50/613194150.db2.gz GYFOBORJTKBTFK-WFVIONGDSA-N 2 2 295.427 0.550 20 0 CCADLP C1CC2(C1)[C@H]([NH2+][C@@H]1C[NH2+]CCOC1)[C@H]1CCO[C@H]12 ZINC000925630477 613222481 /nfs/dbraw/zinc/22/24/81/613222481.db2.gz OZRWLVHCGBROLY-FDYHWXHSSA-N 2 2 252.358 0.522 20 0 CCADLP C(CN1CCOCC1)[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903483548 613223933 /nfs/dbraw/zinc/22/39/33/613223933.db2.gz JAFHBHKKFITNGZ-CYBMUJFWSA-N 2 2 253.390 0.583 20 0 CCADLP C/C(=C/C(=O)N1CC[C@@H](C[NH+](C)C)C1)C[NH+]1CCOCC1 ZINC000900711880 613231429 /nfs/dbraw/zinc/23/14/29/613231429.db2.gz QWHHLOKKHZGHDV-LTBFUDJGSA-N 2 2 295.427 0.675 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N1CC[C@@H]([N@H+](C)CCO)C1 ZINC000971784531 617327167 /nfs/dbraw/zinc/32/71/67/617327167.db2.gz KOISMILQDCTCPP-CYBMUJFWSA-N 2 2 293.367 0.158 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N1CC[C@@H]([N@@H+](C)CCO)C1 ZINC000971784531 617327168 /nfs/dbraw/zinc/32/71/68/617327168.db2.gz KOISMILQDCTCPP-CYBMUJFWSA-N 2 2 293.367 0.158 20 0 CCADLP CC(C)(C)CC[C@@H]([NH3+])C[NH+]1CCC(C(=O)NCCO)CC1 ZINC000904307996 613914781 /nfs/dbraw/zinc/91/47/81/613914781.db2.gz IYTBAWUKPLPKHE-CQSZACIVSA-N 2 2 299.459 0.961 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000896286972 613931865 /nfs/dbraw/zinc/93/18/65/613931865.db2.gz XOWJPIHLHDUMMG-SNVBAGLBSA-N 2 2 250.346 0.941 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NCCc1[nH]cc[nH+]1 ZINC000896286972 613931868 /nfs/dbraw/zinc/93/18/68/613931868.db2.gz XOWJPIHLHDUMMG-SNVBAGLBSA-N 2 2 250.346 0.941 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H](O)C2(O)CCC2)CC1 ZINC000930614200 613940047 /nfs/dbraw/zinc/94/00/47/613940047.db2.gz UPIWTBDRLOHMDB-ZDUSSCGKSA-N 2 2 286.416 0.087 20 0 CCADLP CC(C)[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000969523783 613969487 /nfs/dbraw/zinc/96/94/87/613969487.db2.gz PMWKCOITAZIMTD-GFCCVEGCSA-N 2 2 250.346 0.872 20 0 CCADLP CC(C)C1(C(=O)NCC[N@H+](C)CCC[NH+](C)C)COC1 ZINC000824957153 613975522 /nfs/dbraw/zinc/97/55/22/613975522.db2.gz LFKKBIRYEYGINN-UHFFFAOYSA-N 2 2 285.432 0.659 20 0 CCADLP CC(C)C1(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)COC1 ZINC000824957153 613975526 /nfs/dbraw/zinc/97/55/26/613975526.db2.gz LFKKBIRYEYGINN-UHFFFAOYSA-N 2 2 285.432 0.659 20 0 CCADLP CC(C)(C)n1cc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])c(=O)[nH]c1=O ZINC000925809810 614060831 /nfs/dbraw/zinc/06/08/31/614060831.db2.gz XCNXUFLKIZRSGW-WDEREUQCSA-N 2 2 280.372 0.673 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C[C@@H](O)CC(C)(C)O)C1 ZINC000871977902 614099848 /nfs/dbraw/zinc/09/98/48/614099848.db2.gz GEHONCQEGSBSNS-UONOGXRCSA-N 2 2 288.432 0.455 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C[C@@H](O)CC(C)(C)O)C1 ZINC000871977902 614099850 /nfs/dbraw/zinc/09/98/50/614099850.db2.gz GEHONCQEGSBSNS-UONOGXRCSA-N 2 2 288.432 0.455 20 0 CCADLP CC(C)[N@H+](C[C@H](O)C[NH+]1CCCC1)C[C@@H]1CCC(=O)N1 ZINC000839673156 614297984 /nfs/dbraw/zinc/29/79/84/614297984.db2.gz UVWCMFAONBOWGV-UONOGXRCSA-N 2 2 283.416 0.432 20 0 CCADLP CC(C)[N@@H+](C[C@H](O)C[NH+]1CCCC1)C[C@@H]1CCC(=O)N1 ZINC000839673156 614297985 /nfs/dbraw/zinc/29/79/85/614297985.db2.gz UVWCMFAONBOWGV-UONOGXRCSA-N 2 2 283.416 0.432 20 0 CCADLP CCCCOC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000842475246 614443532 /nfs/dbraw/zinc/44/35/32/614443532.db2.gz NRGUXKQUHFDLQW-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP CCCCOC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000842475246 614443536 /nfs/dbraw/zinc/44/35/36/614443536.db2.gz NRGUXKQUHFDLQW-KBPBESRZSA-N 2 2 283.416 0.698 20 0 CCADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](C)C1 ZINC000911510658 614501175 /nfs/dbraw/zinc/50/11/75/614501175.db2.gz AQRHGTYITSIXJE-LBPRGKRZSA-N 2 2 250.346 0.895 20 0 CCADLP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](C)C1 ZINC000911510658 614501180 /nfs/dbraw/zinc/50/11/80/614501180.db2.gz AQRHGTYITSIXJE-LBPRGKRZSA-N 2 2 250.346 0.895 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH+]1CCOC[C@H]1CC ZINC000874701646 614516741 /nfs/dbraw/zinc/51/67/41/614516741.db2.gz AHBGXZGAIXMVTA-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH+]1CCOC[C@H]1CC ZINC000874701646 614516746 /nfs/dbraw/zinc/51/67/46/614516746.db2.gz AHBGXZGAIXMVTA-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[NH+](C)CC(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000874701646 614516747 /nfs/dbraw/zinc/51/67/47/614516747.db2.gz AHBGXZGAIXMVTA-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP CCC[NH+](C)CC(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000874701646 614516751 /nfs/dbraw/zinc/51/67/51/614516751.db2.gz AHBGXZGAIXMVTA-CYBMUJFWSA-N 2 2 271.405 0.555 20 0 CCADLP CCCn1cc(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)nn1 ZINC000865456398 614531410 /nfs/dbraw/zinc/53/14/10/614531410.db2.gz JTJAVAIFTVQFQN-ZDUSSCGKSA-N 2 2 280.420 0.414 20 0 CCADLP CCN(C(=O)C12CC[NH+](CC1)C2)C1C[NH+](CCOC)C1 ZINC000957279164 614564917 /nfs/dbraw/zinc/56/49/17/614564917.db2.gz SOBWQRGFNNXMPK-UHFFFAOYSA-N 2 2 281.400 0.261 20 0 CCADLP CCC[N@H+](CC)CCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000866300840 614568990 /nfs/dbraw/zinc/56/89/90/614568990.db2.gz FDHMGBZCPJIPSD-WAYWQWQTSA-N 2 2 283.416 0.723 20 0 CCADLP CCC[N@@H+](CC)CCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000866300840 614568995 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CC1(C)C[N@@H+](CCCO)CC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000941247137 614637727 /nfs/dbraw/zinc/63/77/27/614637727.db2.gz DJPGJSPOGYOGEQ-CYBMUJFWSA-N 2 2 294.399 0.482 20 0 CCADLP CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+](C[C@H](C)OC)C1 ZINC000949796623 614671577 /nfs/dbraw/zinc/67/15/77/614671577.db2.gz LNRUDXKQENXXAQ-GXTWGEPZSA-N 2 2 283.416 0.648 20 0 CCADLP CCN(C(=O)[C@H]1CCC[N@H+]1C)C1C[NH+](C[C@H](C)OC)C1 ZINC000949796623 614671579 /nfs/dbraw/zinc/67/15/79/614671579.db2.gz LNRUDXKQENXXAQ-GXTWGEPZSA-N 2 2 283.416 0.648 20 0 CCADLP CCC1(CC)CNC(=O)[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000897345799 614683279 /nfs/dbraw/zinc/68/32/79/614683279.db2.gz PHPXRWVCPZMZTI-LBPRGKRZSA-N 2 2 253.390 0.975 20 0 CCADLP CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1C[NH+](CC2CC2)C1 ZINC000950619619 614684232 /nfs/dbraw/zinc/68/42/32/614684232.db2.gz ZZXSJDKLMJUDHC-IUODEOHRSA-N 2 2 295.427 0.648 20 0 CCADLP CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1C[NH+](CC2CC2)C1 ZINC000950619619 614684234 /nfs/dbraw/zinc/68/42/34/614684234.db2.gz ZZXSJDKLMJUDHC-IUODEOHRSA-N 2 2 295.427 0.648 20 0 CCADLP CC1(C)CNC(=O)[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000895322527 614689852 /nfs/dbraw/zinc/68/98/52/614689852.db2.gz UQCCHGQBVYSLKS-KBPBESRZSA-N 2 2 295.427 0.744 20 0 CCADLP CC1(C)CO[C@@H](C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000872142880 614726875 /nfs/dbraw/zinc/72/68/75/614726875.db2.gz DBCNDPVQLCFFLF-ZIAGYGMSSA-N 2 2 295.427 0.698 20 0 CCADLP CC1(C)CO[C@@H](C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000872142880 614726877 /nfs/dbraw/zinc/72/68/77/614726877.db2.gz DBCNDPVQLCFFLF-ZIAGYGMSSA-N 2 2 295.427 0.698 20 0 CCADLP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000925724199 614773943 /nfs/dbraw/zinc/77/39/43/614773943.db2.gz XBUHSCMELFOYOG-MCIONIFRSA-N 3 2 296.459 0.822 20 0 CCADLP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000925724199 614773946 /nfs/dbraw/zinc/77/39/46/614773946.db2.gz XBUHSCMELFOYOG-MCIONIFRSA-N 3 2 296.459 0.822 20 0 CCADLP CC1(C)[C@H](O)CC[NH+]1C[C@@H](O)C[N@H+]1CC[C@H](O)C1(C)C ZINC000812869218 614855220 /nfs/dbraw/zinc/85/52/20/614855220.db2.gz SZDTZLLZZCGHRM-XYYAHUGASA-N 2 2 286.416 0.038 20 0 CCADLP CC1(C)[C@H](O)CC[NH+]1C[C@@H](O)C[N@@H+]1CC[C@H](O)C1(C)C ZINC000812869218 614855223 /nfs/dbraw/zinc/85/52/23/614855223.db2.gz SZDTZLLZZCGHRM-XYYAHUGASA-N 2 2 286.416 0.038 20 0 CCADLP CC1(C)[C@H](O)CC[N@H+]1C[C@@H](O)C[NH+]1CC[C@H](O)C1(C)C ZINC000812869218 614855224 /nfs/dbraw/zinc/85/52/24/614855224.db2.gz SZDTZLLZZCGHRM-XYYAHUGASA-N 2 2 286.416 0.038 20 0 CCADLP CC1(C)[C@H](O)CC[N@@H+]1C[C@@H](O)C[NH+]1CC[C@H](O)C1(C)C ZINC000812869218 614855228 /nfs/dbraw/zinc/85/52/28/614855228.db2.gz SZDTZLLZZCGHRM-XYYAHUGASA-N 2 2 286.416 0.038 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(N2CCOC2=O)CC1 ZINC000852720508 614866237 /nfs/dbraw/zinc/86/62/37/614866237.db2.gz IMKCXTIIOYKIHK-ZDUSSCGKSA-N 2 2 285.388 0.216 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(N2CCOC2=O)CC1 ZINC000852720508 614866236 /nfs/dbraw/zinc/86/62/36/614866236.db2.gz IMKCXTIIOYKIHK-ZDUSSCGKSA-N 2 2 285.388 0.216 20 0 CCADLP CC[N@H+](C)[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000971989163 614888774 /nfs/dbraw/zinc/88/87/74/614888774.db2.gz NDVSKFQQQLPFOV-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP CC[N@@H+](C)[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000971989163 614888776 /nfs/dbraw/zinc/88/87/76/614888776.db2.gz NDVSKFQQQLPFOV-GFCCVEGCSA-N 2 2 264.373 0.905 20 0 CCADLP CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000971817476 614895249 /nfs/dbraw/zinc/89/52/49/614895249.db2.gz GVJCAGWXGJQBCK-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000971817476 614895250 /nfs/dbraw/zinc/89/52/50/614895250.db2.gz GVJCAGWXGJQBCK-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP CCCCCNC(=O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516780 614921446 /nfs/dbraw/zinc/92/14/46/614921446.db2.gz RUIBNRMRTNTZES-QWHCGFSZSA-N 2 2 253.390 0.834 20 0 CCADLP CCCCCNC(=O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923516780 614921449 /nfs/dbraw/zinc/92/14/49/614921449.db2.gz RUIBNRMRTNTZES-QWHCGFSZSA-N 2 2 253.390 0.834 20 0 CCADLP CC[N@@H+](CC(=O)NC)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000842471713 614935537 /nfs/dbraw/zinc/93/55/37/614935537.db2.gz UXSYBWYXLSUZFF-CYBMUJFWSA-N 2 2 279.384 0.805 20 0 CCADLP CC[N@H+](CC(=O)NC)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000842471713 614935539 /nfs/dbraw/zinc/93/55/39/614935539.db2.gz UXSYBWYXLSUZFF-CYBMUJFWSA-N 2 2 279.384 0.805 20 0 CCADLP CC[NH+](CC)CC(=O)N(C)[C@@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000452221048 614987827 /nfs/dbraw/zinc/98/78/27/614987827.db2.gz GJDDWKRTDRUABO-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cnn(C)n2)C1 ZINC000809951888 614998806 /nfs/dbraw/zinc/99/88/06/614998806.db2.gz PYTZWNJPEPFNGU-AWEZNQCLSA-N 2 2 281.404 0.748 20 0 CCADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cnn(C)n2)C1 ZINC000809951888 614998810 /nfs/dbraw/zinc/99/88/10/614998810.db2.gz PYTZWNJPEPFNGU-AWEZNQCLSA-N 2 2 281.404 0.748 20 0 CCADLP CCC[C@@H]1C(=O)NCC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903755355 615010529 /nfs/dbraw/zinc/01/05/29/615010529.db2.gz FZMIMIVPBSRLQJ-QWHCGFSZSA-N 2 2 253.390 0.977 20 0 CCADLP CCC[C@@H]1C(=O)NCC[N@@H+]1C[C@H]1CCCC[NH2+]C1 ZINC000903755355 615010532 /nfs/dbraw/zinc/01/05/32/615010532.db2.gz FZMIMIVPBSRLQJ-QWHCGFSZSA-N 2 2 253.390 0.977 20 0 CCADLP CCN(OC)C(=O)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000843432896 615075734 /nfs/dbraw/zinc/07/57/34/615075734.db2.gz MNKYQIFZVQYYOW-UHFFFAOYSA-N 2 2 255.362 0.613 20 0 CCADLP CC[NH2+]CC1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC000962535280 615080810 /nfs/dbraw/zinc/08/08/10/615080810.db2.gz HAMCXQQYLYHHMC-UHFFFAOYSA-N 2 2 250.346 0.467 20 0 CCADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=S)NC)CC2)CC1 ZINC000817565139 615099912 /nfs/dbraw/zinc/09/99/12/615099912.db2.gz BSTWPHCKMIABNS-UHFFFAOYSA-N 2 2 284.473 0.983 20 0 CCADLP CC[NH+]1CCC([N@H+]2CCCN(C(=S)NC)CC2)CC1 ZINC000817565139 615099913 /nfs/dbraw/zinc/09/99/13/615099913.db2.gz BSTWPHCKMIABNS-UHFFFAOYSA-N 2 2 284.473 0.983 20 0 CCADLP CC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC000910284640 615120406 /nfs/dbraw/zinc/12/04/06/615120406.db2.gz TVAUCGYDQDWJDW-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC000910284640 615120407 /nfs/dbraw/zinc/12/04/07/615120407.db2.gz TVAUCGYDQDWJDW-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC000910284640 615120408 /nfs/dbraw/zinc/12/04/08/615120408.db2.gz TVAUCGYDQDWJDW-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC000910284640 615120409 /nfs/dbraw/zinc/12/04/09/615120409.db2.gz TVAUCGYDQDWJDW-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CCN1CCC[N@H+](C[C@@]2(C)CCC[NH2+]C2)CC1=O ZINC000904346620 615122233 /nfs/dbraw/zinc/12/22/33/615122233.db2.gz WQDZGUGKMGNZBY-AWEZNQCLSA-N 2 2 253.390 0.930 20 0 CCADLP CCN1CCC[N@@H+](C[C@@]2(C)CCC[NH2+]C2)CC1=O ZINC000904346620 615122234 /nfs/dbraw/zinc/12/22/34/615122234.db2.gz WQDZGUGKMGNZBY-AWEZNQCLSA-N 2 2 253.390 0.930 20 0 CCADLP CC[NH+]1CCN(CCCC[NH2+]Cc2cnn(C)n2)CC1 ZINC000815114453 615157376 /nfs/dbraw/zinc/15/73/76/615157376.db2.gz NSVWJIRKMSYRSW-UHFFFAOYSA-N 2 2 280.420 0.322 20 0 CCADLP CCN1CC[NH+](CCCC[NH2+]Cc2cnn(C)n2)CC1 ZINC000815114453 615157378 /nfs/dbraw/zinc/15/73/78/615157378.db2.gz NSVWJIRKMSYRSW-UHFFFAOYSA-N 2 2 280.420 0.322 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000883336645 615254510 /nfs/dbraw/zinc/25/45/10/615254510.db2.gz RAXCMULSSYYZGP-HZSPNIEDSA-N 2 2 298.431 0.489 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000883336645 615254512 /nfs/dbraw/zinc/25/45/12/615254512.db2.gz RAXCMULSSYYZGP-HZSPNIEDSA-N 2 2 298.431 0.489 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000882489285 615255741 /nfs/dbraw/zinc/25/57/41/615255741.db2.gz PWWBQPDXIQXRLF-VXGBXAGGSA-N 2 2 262.357 0.656 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000882489285 615255743 /nfs/dbraw/zinc/25/57/43/615255743.db2.gz PWWBQPDXIQXRLF-VXGBXAGGSA-N 2 2 262.357 0.656 20 0 CCADLP CCOCC[NH+]1CCN(c2nc(N)cc(C)[nH+]2)CC1 ZINC000892354667 615256397 /nfs/dbraw/zinc/25/63/97/615256397.db2.gz OULPLTTXWLVHCH-UHFFFAOYSA-N 2 2 265.361 0.526 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872551 615258182 /nfs/dbraw/zinc/25/81/82/615258182.db2.gz VLXADWTXMDXOTM-OAHLLOKOSA-N 2 2 283.416 0.605 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872551 615258183 /nfs/dbraw/zinc/25/81/83/615258183.db2.gz VLXADWTXMDXOTM-OAHLLOKOSA-N 2 2 283.416 0.605 20 0 CCADLP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](O)c2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000866049443 615272304 /nfs/dbraw/zinc/27/23/04/615272304.db2.gz OMQLFQYSRBOQLE-DRZSPHRISA-N 2 2 280.372 0.632 20 0 CCADLP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](O)c2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000866049443 615272307 /nfs/dbraw/zinc/27/23/07/615272307.db2.gz OMQLFQYSRBOQLE-DRZSPHRISA-N 2 2 280.372 0.632 20 0 CCADLP CCOCCOC[C@H](O)C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925651000 615285566 /nfs/dbraw/zinc/28/55/66/615285566.db2.gz UTXQDSPGLKNQAN-CHWSQXEVSA-N 2 2 272.389 0.275 20 0 CCADLP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCC[NH+]2CCC2)C1 ZINC000901181135 615286603 /nfs/dbraw/zinc/28/66/03/615286603.db2.gz JNGHPXHZSSQFCR-CYBMUJFWSA-N 2 2 297.399 0.083 20 0 CCADLP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCC[NH+]2CCC2)C1 ZINC000901181135 615286607 /nfs/dbraw/zinc/28/66/07/615286607.db2.gz JNGHPXHZSSQFCR-CYBMUJFWSA-N 2 2 297.399 0.083 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNc1cc[nH+]c(N2CCOCC2)n1 ZINC000882960418 615327953 /nfs/dbraw/zinc/32/79/53/615327953.db2.gz JEWXMJZSLZQPPL-LBPRGKRZSA-N 2 2 277.372 0.819 20 0 CCADLP CC[N@H+]1CC[C@H]1CNc1cc[nH+]c(N2CCOCC2)n1 ZINC000882960418 615327956 /nfs/dbraw/zinc/32/79/56/615327956.db2.gz JEWXMJZSLZQPPL-LBPRGKRZSA-N 2 2 277.372 0.819 20 0 CCADLP CCON(CC)C(=O)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000862452619 615348942 /nfs/dbraw/zinc/34/89/42/615348942.db2.gz FXYCKIYBOSBWPO-AWEZNQCLSA-N 2 2 299.415 0.629 20 0 CCADLP CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](C[C@@H](O)C[NH+]3CCCC3)C[C@@H]21 ZINC000932064052 615390983 /nfs/dbraw/zinc/39/09/83/615390983.db2.gz VTRVDOQHBTUNET-LJISPDSOSA-N 2 2 296.411 0.574 20 0 CCADLP CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](C[C@@H](O)C[NH+]3CCCC3)C[C@@H]21 ZINC000932064052 615390987 /nfs/dbraw/zinc/39/09/87/615390987.db2.gz VTRVDOQHBTUNET-LJISPDSOSA-N 2 2 296.411 0.574 20 0 CCADLP CCO[C@@H](CNC(=O)CCCn1cc[nH+]c1)C[NH+](C)C ZINC000831746042 615405763 /nfs/dbraw/zinc/40/57/63/615405763.db2.gz VLJCULBAVXZVPW-ZDUSSCGKSA-N 2 2 282.388 0.746 20 0 CCADLP CCNC(=[NH2+])NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000848990635 615451688 /nfs/dbraw/zinc/45/16/88/615451688.db2.gz SKFPFWKQTBEBBK-UHFFFAOYSA-N 2 2 275.400 0.942 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925434124 615478311 /nfs/dbraw/zinc/47/83/11/615478311.db2.gz YOGJQHCFDRSEIE-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CC[N@H+]1C ZINC000925434124 615478312 /nfs/dbraw/zinc/47/83/12/615478312.db2.gz YOGJQHCFDRSEIE-STQMWFEESA-N 2 2 284.404 0.101 20 0 CCADLP CC[C@@H](C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1)OC ZINC000963025601 615481436 /nfs/dbraw/zinc/48/14/36/615481436.db2.gz XMRXDWVXKWAJIZ-RMRHIDDWSA-N 2 2 292.383 0.355 20 0 CCADLP CC[C@@H](C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1)OC ZINC000963025601 615481437 /nfs/dbraw/zinc/48/14/37/615481437.db2.gz XMRXDWVXKWAJIZ-RMRHIDDWSA-N 2 2 292.383 0.355 20 0 CCADLP CCO[C@H](CNC(=O)N[C@@H]1Cc2c[nH+]cn2C1)C[NH+](C)C ZINC000926854953 615482233 /nfs/dbraw/zinc/48/22/33/615482233.db2.gz QBEKIFFGGJHJNX-DGCLKSJQSA-N 2 2 295.387 0.074 20 0 CCADLP CC[C@@H](O)[C@H](C)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000912386756 615543597 /nfs/dbraw/zinc/54/35/97/615543597.db2.gz IOWZLMVTRAAJQT-QWHCGFSZSA-N 2 2 273.421 0.393 20 0 CCADLP CC[C@@H](O)[C@H](C)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000912386756 615543598 /nfs/dbraw/zinc/54/35/98/615543598.db2.gz IOWZLMVTRAAJQT-QWHCGFSZSA-N 2 2 273.421 0.393 20 0 CCADLP CC[C@@H]1C(=O)NCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903728721 615551052 /nfs/dbraw/zinc/55/10/52/615551052.db2.gz FJLQEZXAEFOUGQ-QWHCGFSZSA-N 2 2 281.400 0.356 20 0 CCADLP CC[C@@H]1C(=O)NCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903728721 615551053 /nfs/dbraw/zinc/55/10/53/615551053.db2.gz FJLQEZXAEFOUGQ-QWHCGFSZSA-N 2 2 281.400 0.356 20 0 CCADLP CC[C@H](C(=O)NCC(C)(C)[NH3+])[N@@H+]1CCO[C@H](CC)C1 ZINC000911847573 615565056 /nfs/dbraw/zinc/56/50/56/615565056.db2.gz ZNTIZWRWTPANBX-VXGBXAGGSA-N 2 2 271.405 0.729 20 0 CCADLP CC[C@H](C(=O)NCC(C)(C)[NH3+])[N@H+]1CCO[C@H](CC)C1 ZINC000911847573 615565057 /nfs/dbraw/zinc/56/50/57/615565057.db2.gz ZNTIZWRWTPANBX-VXGBXAGGSA-N 2 2 271.405 0.729 20 0 CCADLP CC[C@H](C(=O)NC[C@@H]1CCC[NH2+]C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911703506 615565083 /nfs/dbraw/zinc/56/50/83/615565083.db2.gz GWYCIHCDHDQCBC-RBSFLKMASA-N 2 2 297.443 0.992 20 0 CCADLP CC[C@H](C(=O)NC[C@@H]1CCC[NH2+]C1)[N@H+]1CCO[C@H](CC)C1 ZINC000911703506 615565084 /nfs/dbraw/zinc/56/50/84/615565084.db2.gz GWYCIHCDHDQCBC-RBSFLKMASA-N 2 2 297.443 0.992 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C1([NH3+])CCCC1 ZINC000877432754 615566728 /nfs/dbraw/zinc/56/67/28/615566728.db2.gz GGLZFORCJYPDRZ-GFCCVEGCSA-N 2 2 269.389 0.485 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C1([NH3+])CCCC1 ZINC000877432754 615566729 /nfs/dbraw/zinc/56/67/29/615566729.db2.gz GGLZFORCJYPDRZ-GFCCVEGCSA-N 2 2 269.389 0.485 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000877432272 615568878 /nfs/dbraw/zinc/56/88/78/615568878.db2.gz BUPPKBHJAUGCIB-UKRRQHHQSA-N 2 2 283.416 0.603 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000877432272 615568879 /nfs/dbraw/zinc/56/88/79/615568879.db2.gz BUPPKBHJAUGCIB-UKRRQHHQSA-N 2 2 283.416 0.603 20 0 CCADLP CC[C@H](C[NH+]1CCN(C(=O)Cn2c[nH+]cc2C)CC1)OC ZINC000949317838 615713879 /nfs/dbraw/zinc/71/38/79/615713879.db2.gz HONKGULMIJDRRD-CQSZACIVSA-N 2 2 294.399 0.761 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CC[N@@H+]1CC ZINC000924021831 615716995 /nfs/dbraw/zinc/71/69/95/615716995.db2.gz OGAKVYYKAXWRMH-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CC[N@H+]1CC ZINC000924021831 615716997 /nfs/dbraw/zinc/71/69/97/615716997.db2.gz OGAKVYYKAXWRMH-KGLIPLIRSA-N 2 2 298.431 0.491 20 0 CCADLP CC[C@H](CN1CCOCC1)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000925825466 615720440 /nfs/dbraw/zinc/72/04/40/615720440.db2.gz DTQWEPZHJCLJHZ-RBSFLKMASA-N 2 2 285.432 0.454 20 0 CCADLP Cn1c[nH+]cc1[C@H](CO)NC(=O)C1([NH+](C)C)CCC1 ZINC000912614834 615843431 /nfs/dbraw/zinc/84/34/31/615843431.db2.gz PTRCLMNAXHMBHB-JTQLQIEISA-N 2 2 266.345 0.054 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1C[C@H]([NH+]2CCOCC2)C1(C)C ZINC000880504050 615865703 /nfs/dbraw/zinc/86/57/03/615865703.db2.gz ZPQSIUSMTVVBRV-NEPJUHHUSA-N 2 2 269.389 0.164 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1=COCCC1 ZINC000855417302 615878651 /nfs/dbraw/zinc/87/86/51/615878651.db2.gz XQIMNRGHOVEXNE-UHFFFAOYSA-N 2 2 269.389 0.680 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1=COCCC1 ZINC000855417302 615878654 /nfs/dbraw/zinc/87/86/54/615878654.db2.gz XQIMNRGHOVEXNE-UHFFFAOYSA-N 2 2 269.389 0.680 20 0 CCADLP CN(CCC[N@H+](C)Cc1cn(C2CC2)nn1)CC[NH+](C)C ZINC000906308464 615893172 /nfs/dbraw/zinc/89/31/72/615893172.db2.gz VPIQDUMNMZWQNZ-UHFFFAOYSA-N 2 2 294.447 0.928 20 0 CCADLP CN(CCC[N@@H+](C)Cc1cn(C2CC2)nn1)CC[NH+](C)C ZINC000906308464 615893176 /nfs/dbraw/zinc/89/31/76/615893176.db2.gz VPIQDUMNMZWQNZ-UHFFFAOYSA-N 2 2 294.447 0.928 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](C[C@@H]2CCC=CO2)CC1=O ZINC000846013028 615899227 /nfs/dbraw/zinc/89/92/27/615899227.db2.gz JCQXVJWOZGRXSW-ZDUSSCGKSA-N 2 2 267.373 0.385 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](C[C@@H]2CCC=CO2)CC1=O ZINC000846013028 615899230 /nfs/dbraw/zinc/89/92/30/615899230.db2.gz JCQXVJWOZGRXSW-ZDUSSCGKSA-N 2 2 267.373 0.385 20 0 CCADLP C[NH+](C)CCn1ccc(NC(=O)CNc2cccc[nH+]2)n1 ZINC000900442974 615917894 /nfs/dbraw/zinc/91/78/94/615917894.db2.gz QPJSDOQSYTXJGO-UHFFFAOYSA-N 2 2 288.355 0.890 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)Nc1ccnn1CC[NH+](C)C ZINC000879672817 615923211 /nfs/dbraw/zinc/92/32/11/615923211.db2.gz AGWJZPMDFQCIRP-UHFFFAOYSA-N 2 2 291.359 0.500 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000874702940 615926893 /nfs/dbraw/zinc/92/68/93/615926893.db2.gz PZYMOXCOEJDOAA-KBPBESRZSA-N 2 2 285.432 0.800 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000874702940 615926894 /nfs/dbraw/zinc/92/68/94/615926894.db2.gz PZYMOXCOEJDOAA-KBPBESRZSA-N 2 2 285.432 0.800 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@H]2COC(C)(C)O2)C1 ZINC000878864994 615937508 /nfs/dbraw/zinc/93/75/08/615937508.db2.gz CIYLDWJFWPDPMQ-JSGCOSHPSA-N 2 2 272.389 0.526 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@H]2COC(C)(C)O2)C1 ZINC000878864994 615937509 /nfs/dbraw/zinc/93/75/09/615937509.db2.gz CIYLDWJFWPDPMQ-JSGCOSHPSA-N 2 2 272.389 0.526 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000843062779 615944820 /nfs/dbraw/zinc/94/48/20/615944820.db2.gz QHMNSGUTULBITA-OLZOCXBDSA-N 2 2 272.776 0.886 20 0 CCADLP C[NH+](C)C[C@H]1NC(=O)N(Cc2ccn3cc[nH+]c3c2)C1=O ZINC000924674201 615949446 /nfs/dbraw/zinc/94/94/46/615949446.db2.gz YLDVFAKGBXCHKB-LLVKDONJSA-N 2 2 287.323 0.316 20 0 CCADLP C[NH+](C)Cc1cc(NC(=O)N2CC[NH+](C)CC2)ccn1 ZINC000880609664 615953140 /nfs/dbraw/zinc/95/31/40/615953140.db2.gz PZCONXAZWUENMH-UHFFFAOYSA-N 2 2 277.372 0.923 20 0 CCADLP C[NH+](C)Cc1cccc(C(=O)N2CC[N@H+](C)C[C@H]2CO)c1 ZINC000912743241 615954850 /nfs/dbraw/zinc/95/48/50/615954850.db2.gz RVSYDFQZIZCAIG-HNNXBMFYSA-N 2 2 291.395 0.497 20 0 CCADLP C[NH+](C)Cc1cccc(C(=O)N2CC[N@@H+](C)C[C@H]2CO)c1 ZINC000912743241 615954852 /nfs/dbraw/zinc/95/48/52/615954852.db2.gz RVSYDFQZIZCAIG-HNNXBMFYSA-N 2 2 291.395 0.497 20 0 CCADLP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC000900958089 615992999 /nfs/dbraw/zinc/99/29/99/615992999.db2.gz KVEGKIOEIOICSO-PWSUYJOCSA-N 2 2 250.346 0.941 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H](O)COC3CCOCC3)C[C@H]21 ZINC000931279609 615997639 /nfs/dbraw/zinc/99/76/39/615997639.db2.gz LYUBLAXERLHLQZ-SPWCGHHHSA-N 2 2 284.400 0.035 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H](O)COC3CCOCC3)C[C@H]21 ZINC000931279609 615997642 /nfs/dbraw/zinc/99/76/42/615997642.db2.gz LYUBLAXERLHLQZ-SPWCGHHHSA-N 2 2 284.400 0.035 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H](O)C[C@](C)(O)C3CC3)C[C@H]21 ZINC000931278488 615997673 /nfs/dbraw/zinc/99/76/73/615997673.db2.gz YFWWACMYCOPPEO-AHDPXTMNSA-N 2 2 268.401 0.390 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)C[C@](C)(O)C3CC3)C[C@H]21 ZINC000931278488 615997675 /nfs/dbraw/zinc/99/76/75/615997675.db2.gz YFWWACMYCOPPEO-AHDPXTMNSA-N 2 2 268.401 0.390 20 0 CCADLP CN(C)c1cc[nH+]c(C[NH2+]C[C@H](O)Cn2cccn2)c1 ZINC000905524188 616027961 /nfs/dbraw/zinc/02/79/61/616027961.db2.gz GCSQLYLVSBREHY-AWEZNQCLSA-N 2 2 275.356 0.495 20 0 CCADLP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC[NH+](CCO)CC1 ZINC000949012401 616039475 /nfs/dbraw/zinc/03/94/75/616039475.db2.gz XVHBCWRDFQSDOG-UHFFFAOYSA-N 2 2 297.443 0.776 20 0 CCADLP C[N@@H+](C1CCCC1)C(C)(C)C(=O)N1CC[NH+](CCO)CC1 ZINC000949012401 616039476 /nfs/dbraw/zinc/03/94/76/616039476.db2.gz XVHBCWRDFQSDOG-UHFFFAOYSA-N 2 2 297.443 0.776 20 0 CCADLP C[N@H+](CCCCCC[NH3+])Cc1cc(=O)n2[nH]ccc2n1 ZINC000872155855 616072405 /nfs/dbraw/zinc/07/24/05/616072405.db2.gz YNITXSFUBIPSMZ-UHFFFAOYSA-N 2 2 277.372 0.974 20 0 CCADLP C[N@@H+](CCCCCC[NH3+])Cc1cc(=O)n2[nH]ccc2n1 ZINC000872155855 616072406 /nfs/dbraw/zinc/07/24/06/616072406.db2.gz YNITXSFUBIPSMZ-UHFFFAOYSA-N 2 2 277.372 0.974 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)NCCCCCC[NH3+] ZINC000831263340 616089404 /nfs/dbraw/zinc/08/94/04/616089404.db2.gz HVNSBHWUVUBKGD-UHFFFAOYSA-N 2 2 286.420 0.479 20 0 CCADLP C[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)[C@H]1CCOC1 ZINC000903891714 616098484 /nfs/dbraw/zinc/09/84/84/616098484.db2.gz NWOOEHQPDGOGDC-RYUDHWBXSA-N 2 2 265.361 0.423 20 0 CCADLP C[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)[C@H]1CCOC1 ZINC000903891714 616098485 /nfs/dbraw/zinc/09/84/85/616098485.db2.gz NWOOEHQPDGOGDC-RYUDHWBXSA-N 2 2 265.361 0.423 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](N3C(=O)N[C@H](CF)C3=O)C2)CC1 ZINC000806672077 616172370 /nfs/dbraw/zinc/17/23/70/616172370.db2.gz NGQHYOAXMMECQW-NWDGAFQWSA-N 2 2 298.362 0.045 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](N3C(=O)N[C@H](CF)C3=O)C2)CC1 ZINC000806672077 616172371 /nfs/dbraw/zinc/17/23/71/616172371.db2.gz NGQHYOAXMMECQW-NWDGAFQWSA-N 2 2 298.362 0.045 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C[C@@H]([NH3+])C3CC3)C2)CC1 ZINC000829482945 616172571 /nfs/dbraw/zinc/17/25/71/616172571.db2.gz BQPMOORFTGCMNG-DZGCQCFKSA-N 3 2 294.443 0.399 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C[C@@H]([NH3+])C3CC3)C2)CC1 ZINC000829482945 616172572 /nfs/dbraw/zinc/17/25/72/616172572.db2.gz BQPMOORFTGCMNG-DZGCQCFKSA-N 3 2 294.443 0.399 20 0 CCADLP C[NH+]1CCC([NH2+]CC(=O)NCC(F)(F)F)CC1 ZINC000042224671 616174340 /nfs/dbraw/zinc/17/43/40/616174340.db2.gz IDOWMSUZTULIDX-UHFFFAOYSA-N 2 2 253.268 0.349 20 0 CCADLP C[N@@H+]1CCCN(CCC[NH2+]Cc2csnn2)CC1 ZINC000894377587 616186041 /nfs/dbraw/zinc/18/60/41/616186041.db2.gz BOYWLCXCHGVSBM-UHFFFAOYSA-N 2 2 269.418 0.655 20 0 CCADLP C[N@H+]1CCCN(CCC[NH2+]Cc2csnn2)CC1 ZINC000894377587 616186042 /nfs/dbraw/zinc/18/60/42/616186042.db2.gz BOYWLCXCHGVSBM-UHFFFAOYSA-N 2 2 269.418 0.655 20 0 CCADLP C[N@@H+]1CCC[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000854913206 616204195 /nfs/dbraw/zinc/20/41/95/616204195.db2.gz MDMVRDVDFNENSL-LLVKDONJSA-N 2 2 250.346 0.800 20 0 CCADLP C[N@H+]1CCC[C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC000854913206 616204196 /nfs/dbraw/zinc/20/41/96/616204196.db2.gz MDMVRDVDFNENSL-LLVKDONJSA-N 2 2 250.346 0.800 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000894912510 616216079 /nfs/dbraw/zinc/21/60/79/616216079.db2.gz DTXCZOSOGLZMAV-STQMWFEESA-N 2 2 277.372 0.798 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000894912510 616216080 /nfs/dbraw/zinc/21/60/80/616216080.db2.gz DTXCZOSOGLZMAV-STQMWFEESA-N 2 2 277.372 0.798 20 0 CCADLP C[N@H+](CCCC1CC1)CC(=O)N1CC[NH+](C)CC1 ZINC000879355634 616223096 /nfs/dbraw/zinc/22/30/96/616223096.db2.gz HUCFKOVVMSNTGA-UHFFFAOYSA-N 2 2 253.390 0.882 20 0 CCADLP C[N@@H+](CCCC1CC1)CC(=O)N1CC[NH+](C)CC1 ZINC000879355634 616223097 /nfs/dbraw/zinc/22/30/97/616223097.db2.gz HUCFKOVVMSNTGA-UHFFFAOYSA-N 2 2 253.390 0.882 20 0 CCADLP C[N@H+](CCCOC(F)(F)F)CC(=O)N1CC[NH+](C)CC1 ZINC000879356694 616223135 /nfs/dbraw/zinc/22/31/35/616223135.db2.gz OSLBLBKZMORDHN-UHFFFAOYSA-N 2 2 297.321 0.619 20 0 CCADLP C[N@@H+](CCCOC(F)(F)F)CC(=O)N1CC[NH+](C)CC1 ZINC000879356694 616223136 /nfs/dbraw/zinc/22/31/36/616223136.db2.gz OSLBLBKZMORDHN-UHFFFAOYSA-N 2 2 297.321 0.619 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CC[C@@H]2C2CC2)CC1 ZINC000806133779 616223700 /nfs/dbraw/zinc/22/37/00/616223700.db2.gz DSBCSMCFGOGVLF-OLZOCXBDSA-N 2 2 251.374 0.539 20 0 CCADLP C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000925141659 616226189 /nfs/dbraw/zinc/22/61/89/616226189.db2.gz UFHRFGCNKWLLFR-OLZOCXBDSA-N 2 2 298.456 0.523 20 0 CCADLP C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000925141659 616226190 /nfs/dbraw/zinc/22/61/90/616226190.db2.gz UFHRFGCNKWLLFR-OLZOCXBDSA-N 2 2 298.456 0.523 20 0 CCADLP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[NH2+]C2(C)C)CC1 ZINC000925519317 616241493 /nfs/dbraw/zinc/24/14/93/616241493.db2.gz MFBYQCSJMAJZOJ-CYBMUJFWSA-N 3 2 254.422 0.354 20 0 CCADLP COC(CC[NH+]1CCN(c2[nH]cc[nH+]2)CC1)OC ZINC000851988665 616311556 /nfs/dbraw/zinc/31/15/56/616311556.db2.gz PSJQHJRARUQQAO-UHFFFAOYSA-N 2 2 254.334 0.541 20 0 CCADLP COC(C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)OC ZINC000852707767 616317902 /nfs/dbraw/zinc/31/79/02/616317902.db2.gz KGSKIWKCXLOTOR-GFCCVEGCSA-N 2 2 258.362 0.136 20 0 CCADLP COC(C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)OC ZINC000852707767 616317905 /nfs/dbraw/zinc/31/79/05/616317905.db2.gz KGSKIWKCXLOTOR-GFCCVEGCSA-N 2 2 258.362 0.136 20 0 CCADLP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000901136654 616343571 /nfs/dbraw/zinc/34/35/71/616343571.db2.gz ZDOUQNLDLUYTPJ-DGCLKSJQSA-N 2 2 262.357 0.895 20 0 CCADLP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000901136654 616343576 /nfs/dbraw/zinc/34/35/76/616343576.db2.gz ZDOUQNLDLUYTPJ-DGCLKSJQSA-N 2 2 262.357 0.895 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c1 ZINC000895292730 616379817 /nfs/dbraw/zinc/37/98/17/616379817.db2.gz WYLKEBKBYORQMC-DOMZBBRYSA-N 2 2 291.399 0.556 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c1 ZINC000895292730 616379823 /nfs/dbraw/zinc/37/98/23/616379823.db2.gz WYLKEBKBYORQMC-DOMZBBRYSA-N 2 2 291.399 0.556 20 0 CCADLP COC/C(C)=C\C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855417604 616381512 /nfs/dbraw/zinc/38/15/12/616381512.db2.gz LAGWRZSMJDFDML-QBFSEMIESA-N 2 2 271.405 0.579 20 0 CCADLP COC/C(C)=C\C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855417604 616381514 /nfs/dbraw/zinc/38/15/14/616381514.db2.gz LAGWRZSMJDFDML-QBFSEMIESA-N 2 2 271.405 0.579 20 0 CCADLP COCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000947928463 616392106 /nfs/dbraw/zinc/39/21/06/616392106.db2.gz ATBDNUXWDNUXGJ-CHWSQXEVSA-N 2 2 294.399 0.578 20 0 CCADLP COCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000947928463 616392112 /nfs/dbraw/zinc/39/21/12/616392112.db2.gz ATBDNUXWDNUXGJ-CHWSQXEVSA-N 2 2 294.399 0.578 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC000941062199 616415157 /nfs/dbraw/zinc/41/51/57/616415157.db2.gz XQBITXYHBQIYED-ZDUSSCGKSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC000941062199 616415160 /nfs/dbraw/zinc/41/51/60/616415160.db2.gz XQBITXYHBQIYED-ZDUSSCGKSA-N 2 2 294.399 0.815 20 0 CCADLP CN1C[C@H](CC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1=O ZINC000925814260 616431428 /nfs/dbraw/zinc/43/14/28/616431428.db2.gz ZXWOIMCEGROHPM-KYOSRNDESA-N 2 2 281.400 0.211 20 0 CCADLP COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000960378441 616468608 /nfs/dbraw/zinc/46/86/08/616468608.db2.gz XSBHXIYCSZMURG-SSKLVLDBSA-N 2 2 290.367 0.206 20 0 CCADLP COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000960378441 616468613 /nfs/dbraw/zinc/46/86/13/616468613.db2.gz XSBHXIYCSZMURG-SSKLVLDBSA-N 2 2 290.367 0.206 20 0 CCADLP COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000960378441 616468616 /nfs/dbraw/zinc/46/86/16/616468616.db2.gz XSBHXIYCSZMURG-SSKLVLDBSA-N 2 2 290.367 0.206 20 0 CCADLP COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000960378441 616468620 /nfs/dbraw/zinc/46/86/20/616468620.db2.gz XSBHXIYCSZMURG-SSKLVLDBSA-N 2 2 290.367 0.206 20 0 CCADLP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000900563041 616470313 /nfs/dbraw/zinc/47/03/13/616470313.db2.gz OJDPUOBJBWWPLF-GUTXKFCHSA-N 2 2 292.383 0.502 20 0 CCADLP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000900563041 616470316 /nfs/dbraw/zinc/47/03/16/616470316.db2.gz OJDPUOBJBWWPLF-GUTXKFCHSA-N 2 2 292.383 0.502 20 0 CCADLP COCC[N@H+]1[C@H](C)CN(C(=O)[C@H](C)[NH+](C)C)C[C@@H]1C ZINC000844021132 616478808 /nfs/dbraw/zinc/47/88/08/616478808.db2.gz SOLBALPIMMFGRG-XQQFMLRXSA-N 2 2 271.405 0.504 20 0 CCADLP COCC[N@@H+]1[C@H](C)CN(C(=O)[C@H](C)[NH+](C)C)C[C@@H]1C ZINC000844021132 616478809 /nfs/dbraw/zinc/47/88/09/616478809.db2.gz SOLBALPIMMFGRG-XQQFMLRXSA-N 2 2 271.405 0.504 20 0 CCADLP COC1(OC)CC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000924757743 616485321 /nfs/dbraw/zinc/48/53/21/616485321.db2.gz QQYJZGNSWCPGNW-CHWSQXEVSA-N 2 2 272.389 0.574 20 0 CCADLP C[N@@H+]1C[C@H]2CCN(C(=O)CNc3cccc[nH+]3)[C@H]2C1 ZINC000908347815 616505907 /nfs/dbraw/zinc/50/59/07/616505907.db2.gz MGONMCXCGXYQGF-NEPJUHHUSA-N 2 2 260.341 0.656 20 0 CCADLP C[N@H+]1C[C@H]2CCN(C(=O)CNc3cccc[nH+]3)[C@H]2C1 ZINC000908347815 616505913 /nfs/dbraw/zinc/50/59/13/616505913.db2.gz MGONMCXCGXYQGF-NEPJUHHUSA-N 2 2 260.341 0.656 20 0 CCADLP COC(=O)[C@@H]1[C@H](C[NH2+]CCCn2cc[nH+]c2)C1(F)F ZINC000894146121 616514563 /nfs/dbraw/zinc/51/45/63/616514563.db2.gz SCXOCNAHBAJKSE-UWVGGRQHSA-N 2 2 273.283 0.917 20 0 CCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000870979194 616516364 /nfs/dbraw/zinc/51/63/64/616516364.db2.gz ICSDMIWBEFYTQF-DZGCQCFKSA-N 2 2 277.343 0.991 20 0 CCADLP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000870979194 616516369 /nfs/dbraw/zinc/51/63/69/616516369.db2.gz ICSDMIWBEFYTQF-DZGCQCFKSA-N 2 2 277.343 0.991 20 0 CCADLP COCCOCCOCC[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000903768827 616550799 /nfs/dbraw/zinc/55/07/99/616550799.db2.gz RQBMBULVKIILRH-UHFFFAOYSA-N 2 2 286.416 0.869 20 0 CCADLP COCCOCCOCC[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000903768827 616550804 /nfs/dbraw/zinc/55/08/04/616550804.db2.gz RQBMBULVKIILRH-UHFFFAOYSA-N 2 2 286.416 0.869 20 0 CCADLP COCCOCCOCC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931516220 616552763 /nfs/dbraw/zinc/55/27/63/616552763.db2.gz JQIDNSWNFLBRHM-UHFFFAOYSA-N 2 2 295.383 0.702 20 0 CCADLP COCCOCCOCC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931516220 616552765 /nfs/dbraw/zinc/55/27/65/616552765.db2.gz JQIDNSWNFLBRHM-UHFFFAOYSA-N 2 2 295.383 0.702 20 0 CCADLP COCC[C@H]([NH3+])C(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000884346790 616677832 /nfs/dbraw/zinc/67/78/32/616677832.db2.gz BGWSWQYYPYDJQV-LBPRGKRZSA-N 2 2 251.330 0.678 20 0 CCADLP COC(=O)C[C@H]1CCC[N@@H+]1C[C@H]([NH3+])CC(F)F ZINC000903897032 616707314 /nfs/dbraw/zinc/70/73/14/616707314.db2.gz XYNHPGOVFUSZFW-RKDXNWHRSA-N 2 2 250.289 0.996 20 0 CCADLP COC(=O)C[C@H]1CCC[N@H+]1C[C@H]([NH3+])CC(F)F ZINC000903897032 616707315 /nfs/dbraw/zinc/70/73/15/616707315.db2.gz XYNHPGOVFUSZFW-RKDXNWHRSA-N 2 2 250.289 0.996 20 0 CCADLP COC(=O)[C@H]1[C@@H](C[NH2+][C@@H](C)C[NH+](C)C)C1(F)F ZINC000894760356 616735439 /nfs/dbraw/zinc/73/54/39/616735439.db2.gz JEQHRYFGMCOYEQ-DJLDLDEBSA-N 2 2 250.289 0.580 20 0 CCADLP COC[C@@H](C)[NH+]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000948761165 616808281 /nfs/dbraw/zinc/80/82/81/616808281.db2.gz DKXRSCFOYSXRBR-OCCSQVGLSA-N 2 2 283.416 0.506 20 0 CCADLP COC(=O)N1CCC[C@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000817902950 616839567 /nfs/dbraw/zinc/83/95/67/616839567.db2.gz CIYHRXNKIDQWBE-BFHYXJOUSA-N 2 2 297.399 0.574 20 0 CCADLP COC(=O)NC1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000852764432 616859716 /nfs/dbraw/zinc/85/97/16/616859716.db2.gz GEYGTPOBCMQSRA-ZDUSSCGKSA-N 2 2 287.404 0.508 20 0 CCADLP COC(=O)NC1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000852764432 616859718 /nfs/dbraw/zinc/85/97/18/616859718.db2.gz GEYGTPOBCMQSRA-ZDUSSCGKSA-N 2 2 287.404 0.508 20 0 CCADLP COC(=O)NCC[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000819355912 616896927 /nfs/dbraw/zinc/89/69/27/616896927.db2.gz VQQJNENBOYGFDR-AWEZNQCLSA-N 2 2 295.383 0.425 20 0 CCADLP COC(=O)NCC[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000819355912 616896929 /nfs/dbraw/zinc/89/69/29/616896929.db2.gz VQQJNENBOYGFDR-AWEZNQCLSA-N 2 2 295.383 0.425 20 0 CCADLP C[NH2+]C[C@H]1CCCCN1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000891350807 616996085 /nfs/dbraw/zinc/99/60/85/616996085.db2.gz VLIHTZGPNHBGPL-ZIAGYGMSSA-N 2 2 298.431 0.491 20 0 CCADLP CON(C)C(=O)C[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134101 617022674 /nfs/dbraw/zinc/02/26/74/617022674.db2.gz CAYMDWGKHDSGHQ-GFCCVEGCSA-N 2 2 278.356 0.612 20 0 CCADLP CON(C)C(=O)C[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134101 617022677 /nfs/dbraw/zinc/02/26/77/617022677.db2.gz CAYMDWGKHDSGHQ-GFCCVEGCSA-N 2 2 278.356 0.612 20 0 CCADLP COC[C@@]1(C(=O)Nc2cc[nH+]c(N(C)C)c2)C[NH2+]CCO1 ZINC000876777688 617035264 /nfs/dbraw/zinc/03/52/64/617035264.db2.gz ZXULIQRSXZCOHH-CQSZACIVSA-N 2 2 294.355 0.091 20 0 CCADLP CON(C)C(=O)[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000858580773 617068612 /nfs/dbraw/zinc/06/86/12/617068612.db2.gz WHFPSQXSQWTAMH-WCQYABFASA-N 2 2 285.388 0.238 20 0 CCADLP CO[C@H](C[N@@H+]1CCNCC[NH2+]CC1)C1CCCC1 ZINC000923460362 617084096 /nfs/dbraw/zinc/08/40/96/617084096.db2.gz MRMQLHXGNYUUDR-CQSZACIVSA-N 2 2 255.406 0.686 20 0 CCADLP CO[C@H](C[N@H+]1CCNCC[NH2+]CC1)C1CCCC1 ZINC000923460362 617084099 /nfs/dbraw/zinc/08/40/99/617084099.db2.gz MRMQLHXGNYUUDR-CQSZACIVSA-N 2 2 255.406 0.686 20 0 CCADLP CO[C@H](CN1CC[NH2+]CC[NH2+]CC1)C1CCCC1 ZINC000923460362 617084100 /nfs/dbraw/zinc/08/41/00/617084100.db2.gz MRMQLHXGNYUUDR-CQSZACIVSA-N 2 2 255.406 0.686 20 0 CCADLP CON1CC[C@H]([NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000929836006 617098500 /nfs/dbraw/zinc/09/85/00/617098500.db2.gz OROMGBVCRDPZQS-ZDUSSCGKSA-N 2 2 276.340 0.366 20 0 CCADLP CON1CC[C@H]([N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C1=O ZINC000929847685 617099102 /nfs/dbraw/zinc/09/91/02/617099102.db2.gz NFWJDOLTAPLWMQ-XQQFMLRXSA-N 2 2 267.373 0.565 20 0 CCADLP CON1CC[C@H]([N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C1=O ZINC000929847685 617099104 /nfs/dbraw/zinc/09/91/04/617099104.db2.gz NFWJDOLTAPLWMQ-XQQFMLRXSA-N 2 2 267.373 0.565 20 0 CCADLP CON1CC[C@H]([NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C1=O ZINC000929847685 617099106 /nfs/dbraw/zinc/09/91/06/617099106.db2.gz NFWJDOLTAPLWMQ-XQQFMLRXSA-N 2 2 267.373 0.565 20 0 CCADLP CON1CC[C@H]([NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C1=O ZINC000929847685 617099108 /nfs/dbraw/zinc/09/91/08/617099108.db2.gz NFWJDOLTAPLWMQ-XQQFMLRXSA-N 2 2 267.373 0.565 20 0 CCADLP COc1c(N)[nH+]cnc1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000134916455 617147685 /nfs/dbraw/zinc/14/76/85/617147685.db2.gz WBMNXOSGPWCDPB-NXEZZACHSA-N 2 2 279.344 0.343 20 0 CCADLP COc1c(N)[nH+]cnc1NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000134916455 617147686 /nfs/dbraw/zinc/14/76/86/617147686.db2.gz WBMNXOSGPWCDPB-NXEZZACHSA-N 2 2 279.344 0.343 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CCCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000981298867 617151702 /nfs/dbraw/zinc/15/17/02/617151702.db2.gz ROFDCGWOCQTVAB-ZDUSSCGKSA-N 2 2 294.399 0.912 20 0 CCADLP CO[C@@H](C)C[N@H+]1CCCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000981298867 617151703 /nfs/dbraw/zinc/15/17/03/617151703.db2.gz ROFDCGWOCQTVAB-ZDUSSCGKSA-N 2 2 294.399 0.912 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CCCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000981298867 617151704 /nfs/dbraw/zinc/15/17/04/617151704.db2.gz ROFDCGWOCQTVAB-ZDUSSCGKSA-N 2 2 294.399 0.912 20 0 CCADLP CO[C@@H](C)C[N@H+]1CCCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000981298867 617151705 /nfs/dbraw/zinc/15/17/05/617151705.db2.gz ROFDCGWOCQTVAB-ZDUSSCGKSA-N 2 2 294.399 0.912 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1[C@H]2C[N@H+](C/C=C/Cl)C[C@H]21 ZINC001025898890 625300831 /nfs/dbraw/zinc/30/08/31/625300831.db2.gz MHHKFHVEDBNOHJ-YALVHNAYSA-N 2 2 294.786 0.990 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1[C@H]2C[N@@H+](C/C=C/Cl)C[C@H]21 ZINC001025898890 625300835 /nfs/dbraw/zinc/30/08/35/625300835.db2.gz MHHKFHVEDBNOHJ-YALVHNAYSA-N 2 2 294.786 0.990 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@@H+](C/C=C\Cl)C[C@H]21 ZINC001026153581 625344229 /nfs/dbraw/zinc/34/42/29/625344229.db2.gz DPVCMOGLVGKXQN-IAKTZEFTSA-N 2 2 280.759 0.682 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@H+](C/C=C\Cl)C[C@H]21 ZINC001026153581 625344231 /nfs/dbraw/zinc/34/42/31/625344231.db2.gz DPVCMOGLVGKXQN-IAKTZEFTSA-N 2 2 280.759 0.682 20 0 CCADLP OCC1(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)COC1 ZINC000925583960 625430559 /nfs/dbraw/zinc/43/05/59/625430559.db2.gz JGWDPVKMSOEKBN-STQMWFEESA-N 2 2 254.374 0.602 20 0 CCADLP OCC1(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)COC1 ZINC000925583960 625430560 /nfs/dbraw/zinc/43/05/60/625430560.db2.gz JGWDPVKMSOEKBN-STQMWFEESA-N 2 2 254.374 0.602 20 0 CCADLP Cc1[nH+]ccn1CCN1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934260674 622626206 /nfs/dbraw/zinc/62/62/06/622626206.db2.gz ANQWGYQTMIUMAM-HUUCEWRRSA-N 2 2 278.400 0.723 20 0 CCADLP Cc1[nH+]ccn1CCN1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000934260674 622626220 /nfs/dbraw/zinc/62/62/20/622626220.db2.gz ANQWGYQTMIUMAM-HUUCEWRRSA-N 2 2 278.400 0.723 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]([N@H+](C)CCO)C1 ZINC000972515722 622917907 /nfs/dbraw/zinc/91/79/07/622917907.db2.gz ANVHNTXKVVEBEA-DGCLKSJQSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]([N@@H+](C)CCO)C1 ZINC000972515722 622917911 /nfs/dbraw/zinc/91/79/11/622917911.db2.gz ANVHNTXKVVEBEA-DGCLKSJQSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]([N@H+](C)CCO)C1 ZINC000972515722 622917916 /nfs/dbraw/zinc/91/79/16/622917916.db2.gz ANVHNTXKVVEBEA-DGCLKSJQSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]([N@@H+](C)CCO)C1 ZINC000972515722 622917921 /nfs/dbraw/zinc/91/79/21/622917921.db2.gz ANVHNTXKVVEBEA-DGCLKSJQSA-N 2 2 280.372 0.113 20 0 CCADLP CC(C)(CNC(=O)[C@@H]([NH3+])CC1CC1)[NH+]1CCOCC1 ZINC000311842921 623805783 /nfs/dbraw/zinc/80/57/83/623805783.db2.gz NSXCCBCJDYXHMO-LBPRGKRZSA-N 2 2 269.389 0.341 20 0 CCADLP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000328480389 623886495 /nfs/dbraw/zinc/88/64/95/623886495.db2.gz KEZIXTSUZCPGSE-RFBLXINOSA-N 3 2 292.471 0.598 20 0 CCADLP Cc1oncc1C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000970102569 624601704 /nfs/dbraw/zinc/60/17/04/624601704.db2.gz ADTHZYDIBSBOKC-GFCCVEGCSA-N 2 2 289.339 0.639 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]([NH2+]C[C@H]2CCCCO2)C1 ZINC001020819220 624606634 /nfs/dbraw/zinc/60/66/34/624606634.db2.gz TYGULUUKKVPMEB-JHJVBQTASA-N 2 2 292.383 0.758 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC000902499869 634395084 /nfs/dbraw/zinc/39/50/84/634395084.db2.gz KXHGVACVWAPJLP-QJPTWQEYSA-N 2 2 277.372 0.491 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001020928237 624625943 /nfs/dbraw/zinc/62/59/43/624625943.db2.gz ZMXNLUHNQGOOIF-JHJVBQTASA-N 2 2 292.383 0.236 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]CCn2cccn2)C1 ZINC001021126542 624662532 /nfs/dbraw/zinc/66/25/32/624662532.db2.gz RHKNOGGNKZNPIM-JOCQHMNTSA-N 2 2 288.355 0.017 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]CC2CCC2)C1 ZINC001021126793 624663019 /nfs/dbraw/zinc/66/30/19/624663019.db2.gz XAMZSZAODQXBLF-JOCQHMNTSA-N 2 2 262.357 0.920 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC000970340537 624678216 /nfs/dbraw/zinc/67/82/16/624678216.db2.gz BHYZGXSYSIXKDE-CHWSQXEVSA-N 2 2 292.383 0.712 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCCCCn1cc[nH+]c1 ZINC000891399462 624857126 /nfs/dbraw/zinc/85/71/26/624857126.db2.gz MYWQGBUMUVFZIA-NEPJUHHUSA-N 2 2 265.361 0.794 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000891820354 624937169 /nfs/dbraw/zinc/93/71/69/624937169.db2.gz XZTHLLSUQCKTLS-OUAUKWLOSA-N 2 2 263.345 0.329 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](C[NH2+]Cc2ccccn2)C1 ZINC001027140976 625741825 /nfs/dbraw/zinc/74/18/25/625741825.db2.gz RKRMDFIAUDATTK-CYBMUJFWSA-N 2 2 299.378 0.986 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903020244 634525642 /nfs/dbraw/zinc/52/56/42/634525642.db2.gz WRDVUTOQNLSASK-GFCCVEGCSA-N 2 2 272.356 0.939 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903020244 634525648 /nfs/dbraw/zinc/52/56/48/634525648.db2.gz WRDVUTOQNLSASK-GFCCVEGCSA-N 2 2 272.356 0.939 20 0 CCADLP Cc1cn2c(nc(C[N@@H+](C)C3CC([NH3+])C3)cc2=O)s1 ZINC000903454118 634571472 /nfs/dbraw/zinc/57/14/72/634571472.db2.gz VDOMITDUKWAZQI-UHFFFAOYSA-N 2 2 278.381 0.986 20 0 CCADLP Cc1cn2c(nc(C[N@H+](C)C3CC([NH3+])C3)cc2=O)s1 ZINC000903454118 634571479 /nfs/dbraw/zinc/57/14/79/634571479.db2.gz VDOMITDUKWAZQI-UHFFFAOYSA-N 2 2 278.381 0.986 20 0 CCADLP C[C@@H]1CN(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)CCO1 ZINC000903483011 634577644 /nfs/dbraw/zinc/57/76/44/634577644.db2.gz AZVLKAAWNWQSNM-KGLIPLIRSA-N 2 2 267.417 0.971 20 0 CCADLP CS(=O)(=O)CCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000903484013 634579193 /nfs/dbraw/zinc/57/91/93/634579193.db2.gz NPAHKOOYFOEQMK-NSHDSACASA-N 2 2 260.403 0.685 20 0 CCADLP CC[C@@H]1C[N@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)CC[C@H]1[NH3+] ZINC000903874421 634675352 /nfs/dbraw/zinc/67/53/52/634675352.db2.gz ZZNCBUSXBLACCB-SQWLQELKSA-N 3 2 293.459 0.905 20 0 CCADLP CC[C@@H]1C[N@@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)CC[C@H]1[NH3+] ZINC000903874421 634675358 /nfs/dbraw/zinc/67/53/58/634675358.db2.gz ZZNCBUSXBLACCB-SQWLQELKSA-N 3 2 293.459 0.905 20 0 CCADLP [NH3+][C@@H](CC(F)F)C[N@@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000903933252 634692041 /nfs/dbraw/zinc/69/20/41/634692041.db2.gz NEXWPOFMOIRBNY-QWRGUYRKSA-N 2 2 275.343 0.913 20 0 CCADLP [NH3+][C@@H](CC(F)F)C[N@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000903933252 634692048 /nfs/dbraw/zinc/69/20/48/634692048.db2.gz NEXWPOFMOIRBNY-QWRGUYRKSA-N 2 2 275.343 0.913 20 0 CCADLP [NH3+]C1(C[NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCCCC1 ZINC000903918282 634695767 /nfs/dbraw/zinc/69/57/67/634695767.db2.gz WFXKXFVLSCCORZ-CYBMUJFWSA-N 3 2 292.431 0.954 20 0 CCADLP 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O=C(NCC1CC[NH2+]CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC000911672879 636344572 /nfs/dbraw/zinc/34/45/72/636344572.db2.gz QDENVTXJPRRVQA-LBPRGKRZSA-N 2 2 262.357 0.561 20 0 CCADLP O=C(NCC[C@H]1CC[NH2+]C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000911769286 636373277 /nfs/dbraw/zinc/37/32/77/636373277.db2.gz TVKHNKTYTOGJSP-VXGBXAGGSA-N 2 2 262.357 0.561 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H](C)[NH2+]1 ZINC000911799443 636392672 /nfs/dbraw/zinc/39/26/72/636392672.db2.gz YEBCOMFRKDLSKE-NNYUYHANSA-N 2 2 262.357 0.732 20 0 CCADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000912303885 636548999 /nfs/dbraw/zinc/54/89/99/636548999.db2.gz LZDHMSJHGWDAIS-CTHBEMJXSA-N 2 2 295.427 0.600 20 0 CCADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000912303885 636549003 /nfs/dbraw/zinc/54/90/03/636549003.db2.gz LZDHMSJHGWDAIS-CTHBEMJXSA-N 2 2 295.427 0.600 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N1CCOC(C)(C)C1 ZINC000930125255 638130528 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Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[N@H+](CCO)C2)c[nH+]1 ZINC001014901812 650501675 /nfs/dbraw/zinc/50/16/75/650501675.db2.gz NAHZGNLXPLQJNA-GFCCVEGCSA-N 2 2 280.372 0.109 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[N@@H+](CCO)C2)c[nH+]1 ZINC001014901812 650501678 /nfs/dbraw/zinc/50/16/78/650501678.db2.gz NAHZGNLXPLQJNA-GFCCVEGCSA-N 2 2 280.372 0.109 20 0 CCADLP CC[C@H](C[NH+]1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1)OC ZINC001003700596 639597812 /nfs/dbraw/zinc/59/78/12/639597812.db2.gz BYTNKHVSGUYMIF-CQSZACIVSA-N 2 2 294.399 0.958 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001014991729 650512120 /nfs/dbraw/zinc/51/21/20/650512120.db2.gz TWVBBGBQPZKCJY-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001014991729 650512124 /nfs/dbraw/zinc/51/21/24/650512124.db2.gz TWVBBGBQPZKCJY-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC1CC[NH+](CCF)CC1 ZINC001003971950 639658327 /nfs/dbraw/zinc/65/83/27/639658327.db2.gz SIAXZUJFFCDJTR-UHFFFAOYSA-N 2 2 268.336 0.513 20 0 CCADLP FC(F)(F)CN1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923318160 640080062 /nfs/dbraw/zinc/08/00/62/640080062.db2.gz FEFQNLJZYSOTSF-NSHDSACASA-N 2 2 293.333 0.545 20 0 CCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000923415858 640123443 /nfs/dbraw/zinc/12/34/43/640123443.db2.gz RUMLUZFDPWJDMQ-CQDKDKBSSA-N 2 2 297.349 0.937 20 0 CCADLP [NH3+][C@]1(CO)CCC[N@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000923470548 640152153 /nfs/dbraw/zinc/15/21/53/640152153.db2.gz HJKKKOSGZIPJFO-HZPDHXFCSA-N 2 2 278.396 0.766 20 0 CCADLP [NH3+][C@]1(CO)CCC[N@@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000923470548 640152158 /nfs/dbraw/zinc/15/21/58/640152158.db2.gz HJKKKOSGZIPJFO-HZPDHXFCSA-N 2 2 278.396 0.766 20 0 CCADLP C[C@H]1CN(C(=O)C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[C@H](C)O1 ZINC000923522227 640179356 /nfs/dbraw/zinc/17/93/56/640179356.db2.gz XHQMJERVAUNVGN-XDQVBPFNSA-N 2 2 281.400 0.164 20 0 CCADLP C[C@H]1CN(C(=O)C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[C@H](C)O1 ZINC000923522227 640179360 /nfs/dbraw/zinc/17/93/60/640179360.db2.gz XHQMJERVAUNVGN-XDQVBPFNSA-N 2 2 281.400 0.164 20 0 CCADLP O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923531303 640180486 /nfs/dbraw/zinc/18/04/86/640180486.db2.gz QXOJQINXFQUYBC-JYJNAYRXSA-N 2 2 298.427 0.761 20 0 CCADLP O[C@H](COC[C@@H]1CCCO1)C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923531303 640180491 /nfs/dbraw/zinc/18/04/91/640180491.db2.gz QXOJQINXFQUYBC-JYJNAYRXSA-N 2 2 298.427 0.761 20 0 CCADLP CN(C[C@@H](O)C[NH+]1CCCC1)C(C)(C)C[NH+]1CCOCC1 ZINC000839673842 640353673 /nfs/dbraw/zinc/35/36/73/640353673.db2.gz KZJBXGKKOMAXPQ-OAHLLOKOSA-N 2 2 299.459 0.486 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCCC1)C(C)(C)CN1CCOCC1 ZINC000839673842 640353680 /nfs/dbraw/zinc/35/36/80/640353680.db2.gz KZJBXGKKOMAXPQ-OAHLLOKOSA-N 2 2 299.459 0.486 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCC1)C(C)(C)CN1CCOCC1 ZINC000839673842 640353686 /nfs/dbraw/zinc/35/36/86/640353686.db2.gz KZJBXGKKOMAXPQ-OAHLLOKOSA-N 2 2 299.459 0.486 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000805754654 640433027 /nfs/dbraw/zinc/43/30/27/640433027.db2.gz YQXJMZSQIDZXFI-GOEBONIOSA-N 2 2 291.395 0.991 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000805754654 640433032 /nfs/dbraw/zinc/43/30/32/640433032.db2.gz YQXJMZSQIDZXFI-GOEBONIOSA-N 2 2 291.395 0.991 20 0 CCADLP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CC[NH+](CCF)C1 ZINC001015702359 650612188 /nfs/dbraw/zinc/61/21/88/650612188.db2.gz MZXLMZKBDYPXET-NWDGAFQWSA-N 2 2 257.353 0.631 20 0 CCADLP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1CC[NH+](CCF)C1 ZINC001015702359 650612190 /nfs/dbraw/zinc/61/21/90/650612190.db2.gz MZXLMZKBDYPXET-NWDGAFQWSA-N 2 2 257.353 0.631 20 0 CCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@H+](CCF)C1 ZINC001015702359 650612191 /nfs/dbraw/zinc/61/21/91/650612191.db2.gz MZXLMZKBDYPXET-NWDGAFQWSA-N 2 2 257.353 0.631 20 0 CCADLP C[C@H]1CCC[NH+]1CC(=O)N[C@@H]1CC[N@@H+](CCF)C1 ZINC001015702359 650612194 /nfs/dbraw/zinc/61/21/94/650612194.db2.gz MZXLMZKBDYPXET-NWDGAFQWSA-N 2 2 257.353 0.631 20 0 CCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[N@H+](C)[C@H](C)C1)C2 ZINC000810441978 640935143 /nfs/dbraw/zinc/93/51/43/640935143.db2.gz CZMCDUNCECSJRR-DGCLKSJQSA-N 2 2 276.384 0.916 20 0 CCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[N@@H+](C)[C@H](C)C1)C2 ZINC000810441978 640935149 /nfs/dbraw/zinc/93/51/49/640935149.db2.gz CZMCDUNCECSJRR-DGCLKSJQSA-N 2 2 276.384 0.916 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000811882344 640990729 /nfs/dbraw/zinc/99/07/29/640990729.db2.gz GUWZODQSPLEJOG-LBPRGKRZSA-N 2 2 277.372 0.704 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000811882344 640990734 /nfs/dbraw/zinc/99/07/34/640990734.db2.gz GUWZODQSPLEJOG-LBPRGKRZSA-N 2 2 277.372 0.704 20 0 CCADLP COC1CC[NH+](CCNC(=O)NCc2c[nH+]cn2C)CC1 ZINC000812489554 641004326 /nfs/dbraw/zinc/00/43/26/641004326.db2.gz WJNAYLZGDVMXEQ-UHFFFAOYSA-N 2 2 295.387 0.330 20 0 CCADLP CC[C@@H](C[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1)OC ZINC001016108540 650682546 /nfs/dbraw/zinc/68/25/46/650682546.db2.gz UUULVOFTNRUNSY-STQMWFEESA-N 2 2 294.399 0.876 20 0 CCADLP CC[C@@H](C[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C1)OC ZINC001016108540 650682547 /nfs/dbraw/zinc/68/25/47/650682547.db2.gz UUULVOFTNRUNSY-STQMWFEESA-N 2 2 294.399 0.876 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC001016112758 650683826 /nfs/dbraw/zinc/68/38/26/650683826.db2.gz FRJWBHCYKRLKIY-CHWSQXEVSA-N 2 2 292.383 0.488 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001016112758 650683828 /nfs/dbraw/zinc/68/38/28/650683828.db2.gz FRJWBHCYKRLKIY-CHWSQXEVSA-N 2 2 292.383 0.488 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001016259001 650706743 /nfs/dbraw/zinc/70/67/43/650706743.db2.gz BQKRQOWWNUETHA-OAHLLOKOSA-N 2 2 299.378 0.977 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001016259001 650706746 /nfs/dbraw/zinc/70/67/46/650706746.db2.gz BQKRQOWWNUETHA-OAHLLOKOSA-N 2 2 299.378 0.977 20 0 CCADLP Cn1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001016255093 650706869 /nfs/dbraw/zinc/70/68/69/650706869.db2.gz LLUZBXMCDQWNNM-STQMWFEESA-N 2 2 291.399 0.062 20 0 CCADLP Cn1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001016255093 650706871 /nfs/dbraw/zinc/70/68/71/650706871.db2.gz LLUZBXMCDQWNNM-STQMWFEESA-N 2 2 291.399 0.062 20 0 CCADLP Cn1ccc(C[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001016255093 650706872 /nfs/dbraw/zinc/70/68/72/650706872.db2.gz LLUZBXMCDQWNNM-STQMWFEESA-N 2 2 291.399 0.062 20 0 CCADLP Cn1ccc(C[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001016255093 650706873 /nfs/dbraw/zinc/70/68/73/650706873.db2.gz LLUZBXMCDQWNNM-STQMWFEESA-N 2 2 291.399 0.062 20 0 CCADLP CS[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH+](C)C ZINC000831300766 642347007 /nfs/dbraw/zinc/34/70/07/642347007.db2.gz VDAXVHTWOYCJDI-ZJUUUORDSA-N 2 2 268.386 0.456 20 0 CCADLP C[NH+]1CCC(C)(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC000831876749 642404516 /nfs/dbraw/zinc/40/45/16/642404516.db2.gz KRPIPKQKXFQSBK-UHFFFAOYSA-N 2 2 250.346 0.800 20 0 CCADLP CC[NH+]1CCC2(C[C@H]2NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001016929031 650772327 /nfs/dbraw/zinc/77/23/27/650772327.db2.gz BPVFAURVXZOYBD-CYBMUJFWSA-N 2 2 276.384 0.953 20 0 CCADLP C[NH+]1CCC(C)(CNC(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000867286887 642879754 /nfs/dbraw/zinc/87/97/54/642879754.db2.gz MGKMQBDUNYWSGV-ARJAWSKDSA-N 2 2 295.427 0.723 20 0 CCADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCN1CC[NH2+]CC1 ZINC000843360442 643038291 /nfs/dbraw/zinc/03/82/91/643038291.db2.gz XGASQVAROQSONH-AGUYFDCRSA-N 3 2 252.406 0.236 20 0 CCADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCN1CC[NH2+]CC1 ZINC000843360442 643038300 /nfs/dbraw/zinc/03/83/00/643038300.db2.gz XGASQVAROQSONH-AGUYFDCRSA-N 3 2 252.406 0.236 20 0 CCADLP C[C@@H]([NH3+])CC(=O)N1CCC([N@H+](C)CC(F)F)CC1 ZINC000844187153 643175966 /nfs/dbraw/zinc/17/59/66/643175966.db2.gz CJDHKLWDXSXJDH-SECBINFHSA-N 2 2 263.332 0.912 20 0 CCADLP C[C@@H]([NH3+])CC(=O)N1CCC([N@@H+](C)CC(F)F)CC1 ZINC000844187153 643175971 /nfs/dbraw/zinc/17/59/71/643175971.db2.gz CJDHKLWDXSXJDH-SECBINFHSA-N 2 2 263.332 0.912 20 0 CCADLP C[N@H+](CC(F)F)C1CCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000844187114 643176733 /nfs/dbraw/zinc/17/67/33/643176733.db2.gz BDTAPKKOCNPBIG-UHFFFAOYSA-N 2 2 275.343 0.926 20 0 CCADLP C[N@@H+](CC(F)F)C1CCN(C(=O)C[NH2+]C2CC2)CC1 ZINC000844187114 643176738 /nfs/dbraw/zinc/17/67/38/643176738.db2.gz BDTAPKKOCNPBIG-UHFFFAOYSA-N 2 2 275.343 0.926 20 0 CCADLP [NH3+]C[C@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000846663841 643438831 /nfs/dbraw/zinc/43/88/31/643438831.db2.gz PKWXWXSHCUPKBD-GFCCVEGCSA-N 2 2 276.384 0.959 20 0 CCADLP O[C@H](C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)c1ccc(F)cn1 ZINC000846876357 643464787 /nfs/dbraw/zinc/46/47/87/643464787.db2.gz QNHSOCLIYBTWBS-CYBMUJFWSA-N 2 2 291.330 0.799 20 0 CCADLP C[C@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848432227 643636964 /nfs/dbraw/zinc/63/69/64/643636964.db2.gz WEANNEQYOCWKHL-NRWUCQMLSA-N 2 2 287.379 0.302 20 0 CCADLP C[C@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848432227 643636969 /nfs/dbraw/zinc/63/69/69/643636969.db2.gz WEANNEQYOCWKHL-NRWUCQMLSA-N 2 2 287.379 0.302 20 0 CCADLP C[C@H]1CN(C(=[NH2+])NCCCCn2cc[nH+]c2)CCO1 ZINC000848995515 643695212 /nfs/dbraw/zinc/69/52/12/643695212.db2.gz NUWQLOWMHNAHSN-LBPRGKRZSA-N 2 2 265.361 0.908 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H](CO)Cc1ccccc1 ZINC000852289520 643949615 /nfs/dbraw/zinc/94/96/15/643949615.db2.gz TVFDQYSKMLUSQY-SJORKVTESA-N 2 2 292.423 0.979 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCCC1)[C@@H](CO)Cc1ccccc1 ZINC000852289520 643949621 /nfs/dbraw/zinc/94/96/21/643949621.db2.gz TVFDQYSKMLUSQY-SJORKVTESA-N 2 2 292.423 0.979 20 0 CCADLP [NH3+]C[C@@H]1CC(C(=O)NCC[NH+]2Cc3ccccc3C2)=NO1 ZINC000852862048 644028613 /nfs/dbraw/zinc/02/86/13/644028613.db2.gz RBWDXAUMDCCBNS-ZDUSSCGKSA-N 2 2 288.351 0.222 20 0 CCADLP O[C@@H](C[NH2+]C[C@H](O)c1ccccn1)C[NH+]1CCCCC1 ZINC000853109861 644076884 /nfs/dbraw/zinc/07/68/84/644076884.db2.gz ROHGBEOEINTEPP-ZFWWWQNUSA-N 2 2 279.384 0.551 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001019060933 650934452 /nfs/dbraw/zinc/93/44/52/650934452.db2.gz LMOFLDGOYUWGLZ-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP Cn1c(Cl)ncc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000858225956 644600309 /nfs/dbraw/zinc/60/03/09/644600309.db2.gz KAZBWMBHXLOGRF-NSHDSACASA-N 2 2 299.806 0.503 20 0 CCADLP Cn1c(Cl)ncc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000858225956 644600312 /nfs/dbraw/zinc/60/03/12/644600312.db2.gz KAZBWMBHXLOGRF-NSHDSACASA-N 2 2 299.806 0.503 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([NH2+]Cc2cncs2)C1 ZINC001019438200 650972750 /nfs/dbraw/zinc/97/27/50/650972750.db2.gz HILYWRCUZVGBCD-JTQLQIEISA-N 2 2 291.380 0.799 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001019566257 650988775 /nfs/dbraw/zinc/98/87/75/650988775.db2.gz YLJYLUBWDUOPES-NEPJUHHUSA-N 2 2 278.356 0.179 20 0 CCADLP C[C@@H]([NH3+])c1cn(CC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000864645993 645258794 /nfs/dbraw/zinc/25/87/94/645258794.db2.gz QEKKNWPSLFJQCI-LLVKDONJSA-N 3 2 254.382 0.181 20 0 CCADLP FC(F)(F)c1c[nH+]ccc1NC[C@H]1C[NH+]2CCN1CC2 ZINC000865629899 645391683 /nfs/dbraw/zinc/39/16/83/645391683.db2.gz UNBKBGNNWPFUDA-JTQLQIEISA-N 2 2 286.301 0.934 20 0 CCADLP Cc1[nH+]c2n(c1C)CCN(S(=O)(=O)[C@H]1CCC[NH2+]C1)C2 ZINC000923611573 645895822 /nfs/dbraw/zinc/89/58/22/645895822.db2.gz BIULJISBPLSLDQ-LBPRGKRZSA-N 2 2 298.412 0.397 20 0 CCADLP O=C(N[C@H]1C[C@H]([NH2+]CCF)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001020312223 651058312 /nfs/dbraw/zinc/05/83/12/651058312.db2.gz DIPSNQLOAIERAB-IJLUTSLNSA-N 2 2 280.347 0.652 20 0 CCADLP [NH3+][C@H]1C[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000870966608 646065229 /nfs/dbraw/zinc/06/52/29/646065229.db2.gz NJICJDUAGNTJLS-PHIMTYICSA-N 2 2 271.324 0.734 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000871600832 646157538 /nfs/dbraw/zinc/15/75/38/646157538.db2.gz YBNDTKSHLDAQHJ-DYEKYZERSA-N 2 2 277.372 0.855 20 0 CCADLP Cc1conc1C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000872143050 646211409 /nfs/dbraw/zinc/21/14/09/646211409.db2.gz IMNZYKYNMAPBDP-GFCCVEGCSA-N 2 2 280.372 0.803 20 0 CCADLP Cc1conc1C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000872143050 646211414 /nfs/dbraw/zinc/21/14/14/646211414.db2.gz IMNZYKYNMAPBDP-GFCCVEGCSA-N 2 2 280.372 0.803 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O)C1CC1 ZINC000872260369 646230828 /nfs/dbraw/zinc/23/08/28/646230828.db2.gz OGQBPBFJUBJACP-BARDWOONSA-N 2 2 282.428 0.923 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O)C1CC1 ZINC000872260369 646230832 /nfs/dbraw/zinc/23/08/32/646230832.db2.gz OGQBPBFJUBJACP-BARDWOONSA-N 2 2 282.428 0.923 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O)C1CC1 ZINC000872260369 646230838 /nfs/dbraw/zinc/23/08/38/646230838.db2.gz OGQBPBFJUBJACP-BARDWOONSA-N 2 2 282.428 0.923 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O)C1CC1 ZINC000872260369 646230843 /nfs/dbraw/zinc/23/08/43/646230843.db2.gz OGQBPBFJUBJACP-BARDWOONSA-N 2 2 282.428 0.923 20 0 CCADLP C[C@H](O)CN1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873208915 646358534 /nfs/dbraw/zinc/35/85/34/646358534.db2.gz XYYMIOHAWDJCCK-LBPRGKRZSA-N 2 2 295.452 0.892 20 0 CCADLP [NH3+]C1CCC(NC(=O)/C=C\C[NH+]2CCOCC2)CC1 ZINC000876515832 646616757 /nfs/dbraw/zinc/61/67/57/646616757.db2.gz FMFGHRFSORIVGH-UPHRSURJSA-N 2 2 267.373 0.261 20 0 CCADLP C[C@H](CCC[NH3+])NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876858827 646683916 /nfs/dbraw/zinc/68/39/16/646683916.db2.gz XQTSWJNZGDOIEU-OGOUPESXSA-N 2 2 255.362 0.118 20 0 CCADLP [NH3+]C[C@@H]1[C@H](C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C1(F)F ZINC000876889243 646691284 /nfs/dbraw/zinc/69/12/84/646691284.db2.gz YVORLLWKQOBXTM-HOSYDEDBSA-N 2 2 296.321 0.617 20 0 CCADLP C[C@@H]1CC[C@H](NC(=O)/C=C/C[NH+]2CCOCC2)C[NH2+]1 ZINC000877046417 646722561 /nfs/dbraw/zinc/72/25/61/646722561.db2.gz LOORGTVYINIQPD-XDYXTIEYSA-N 2 2 267.373 0.132 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC(N2CC[NH+](C)CC2)CC1 ZINC000877249627 646768315 /nfs/dbraw/zinc/76/83/15/646768315.db2.gz AYCBIBXXHZWOGL-HIFRSBDPSA-N 2 2 296.459 0.598 20 0 CCADLP Cn1cncc1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000877536843 646822021 /nfs/dbraw/zinc/82/20/21/646822021.db2.gz BSKBPQULGUBATD-UHFFFAOYSA-N 2 2 266.389 0.745 20 0 CCADLP C[C@H]1[N@H+](CC(=O)NC2CC[NH+](C)CC2)CCOC1(C)C ZINC000878194959 646880289 /nfs/dbraw/zinc/88/02/89/646880289.db2.gz JSPZEUYNRSCZEI-GFCCVEGCSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@H]1[N@@H+](CC(=O)NC2CC[NH+](C)CC2)CCOC1(C)C ZINC000878194959 646880291 /nfs/dbraw/zinc/88/02/91/646880291.db2.gz JSPZEUYNRSCZEI-GFCCVEGCSA-N 2 2 283.416 0.696 20 0 CCADLP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H]3CN(C4CC4)C(=O)O3)CC[C@@H]21 ZINC000879580807 647077817 /nfs/dbraw/zinc/07/78/17/647077817.db2.gz UVBAMZFTOPIOAI-XBFCOCLRSA-N 2 2 279.384 0.996 20 0 CCADLP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CN(C4CC4)C(=O)O3)CC[C@@H]21 ZINC000879580807 647077824 /nfs/dbraw/zinc/07/78/24/647077824.db2.gz UVBAMZFTOPIOAI-XBFCOCLRSA-N 2 2 279.384 0.996 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CN(C4CC4)C(=O)O3)CC[C@@H]21 ZINC000879580807 647077826 /nfs/dbraw/zinc/07/78/26/647077826.db2.gz UVBAMZFTOPIOAI-XBFCOCLRSA-N 2 2 279.384 0.996 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CN(C4CC4)C(=O)O3)CC[C@@H]21 ZINC000879580807 647077832 /nfs/dbraw/zinc/07/78/32/647077832.db2.gz UVBAMZFTOPIOAI-XBFCOCLRSA-N 2 2 279.384 0.996 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c[nH+]1 ZINC000884043511 647624901 /nfs/dbraw/zinc/62/49/01/647624901.db2.gz WYWHGDBDJYMVQE-VXGBXAGGSA-N 2 2 280.372 0.501 20 0 CCADLP C[C@@H]1C[NH+](CCCNC(=O)c2ncoc2C[NH3+])C[C@@H](C)O1 ZINC000884183874 647662703 /nfs/dbraw/zinc/66/27/03/647662703.db2.gz ZCZYIUQUENPDPT-GHMZBOCLSA-N 2 2 296.371 0.362 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]([NH3+])CC2CC2)[C@H](C)CO1 ZINC000884401721 647728331 /nfs/dbraw/zinc/72/83/31/647728331.db2.gz ZBTBOKRHMOIWOM-NQBHXWOUSA-N 2 2 269.389 0.339 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]([NH3+])CC2CC2)[C@H](C)CO1 ZINC000884401721 647728332 /nfs/dbraw/zinc/72/83/32/647728332.db2.gz ZBTBOKRHMOIWOM-NQBHXWOUSA-N 2 2 269.389 0.339 20 0 CCADLP O[C@@H]1C[C@@H]([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C[C@@H]1O ZINC000886245405 647931461 /nfs/dbraw/zinc/93/14/61/647931461.db2.gz UWCRTTDIZNCJLE-CGJHYDBRSA-N 2 2 279.365 0.908 20 0 CCADLP O=C(C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)N1CCOCC1 ZINC000886865894 648026344 /nfs/dbraw/zinc/02/63/44/648026344.db2.gz XNTUQRNZZHGUJL-HNNXBMFYSA-N 2 2 281.400 0.311 20 0 CCADLP O=C(C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1)N1CCOCC1 ZINC000886865894 648026348 /nfs/dbraw/zinc/02/63/48/648026348.db2.gz XNTUQRNZZHGUJL-HNNXBMFYSA-N 2 2 281.400 0.311 20 0 CCADLP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cnn(C)n1 ZINC000924995246 648395673 /nfs/dbraw/zinc/39/56/73/648395673.db2.gz YSSRJGCUMJFPRK-NWDGAFQWSA-N 2 2 266.393 0.102 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925414933 648431003 /nfs/dbraw/zinc/43/10/03/648431003.db2.gz BLRLTZCUMHFUJJ-OLZOCXBDSA-N 2 2 284.404 0.053 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000925414933 648431006 /nfs/dbraw/zinc/43/10/06/648431006.db2.gz BLRLTZCUMHFUJJ-OLZOCXBDSA-N 2 2 284.404 0.053 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925551737 648442654 /nfs/dbraw/zinc/44/26/54/648442654.db2.gz XMFHYVYVGZBECQ-ZTYXSZCMSA-N 3 2 278.444 0.208 20 0 CCADLP c1cc(N2CCC(C[NH2+][C@H]3C[NH2+]CCOC3)CC2)cc[nH+]1 ZINC000925615509 648447961 /nfs/dbraw/zinc/44/79/61/648447961.db2.gz NPYJIGSUXCOGOP-HNNXBMFYSA-N 3 2 290.411 0.876 20 0 CCADLP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)[C@@H]1CN(C)CCO1 ZINC000925617322 648448189 /nfs/dbraw/zinc/44/81/89/648448189.db2.gz PVROZFSNPACLIC-NNWKIESISA-N 2 2 265.401 0.292 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925639150 648449298 /nfs/dbraw/zinc/44/92/98/648449298.db2.gz KDTAHZYZXWXYCW-BZPMIXESSA-N 3 2 255.406 0.549 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925639150 648449301 /nfs/dbraw/zinc/44/93/01/648449301.db2.gz KDTAHZYZXWXYCW-BZPMIXESSA-N 3 2 255.406 0.549 20 0 CCADLP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)[C@@H]1CCCC[NH2+]1 ZINC000925849858 648466734 /nfs/dbraw/zinc/46/67/34/648466734.db2.gz QXVCWQGYUUITMS-RDBSUJKOSA-N 3 2 295.427 0.792 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCO[C@@H]1CCOC1 ZINC000925874051 648468027 /nfs/dbraw/zinc/46/80/27/648468027.db2.gz GYZLBAPBFFQRQC-FRRDWIJNSA-N 2 2 258.362 0.149 20 0 CCADLP O=C(NCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccn[nH]1 ZINC000926117715 648487370 /nfs/dbraw/zinc/48/73/70/648487370.db2.gz UUWMWVWHGBEQJQ-GXTWGEPZSA-N 2 2 291.399 0.746 20 0 CCADLP O=C(NCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccn[nH]1 ZINC000926117715 648487372 /nfs/dbraw/zinc/48/73/72/648487372.db2.gz UUWMWVWHGBEQJQ-GXTWGEPZSA-N 2 2 291.399 0.746 20 0 CCADLP C[C@H](C[C@H]1CCC(=O)N1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000926230819 648493719 /nfs/dbraw/zinc/49/37/19/648493719.db2.gz YDXRDXNXNOAFCT-IJLUTSLNSA-N 2 2 262.357 0.845 20 0 CCADLP C[C@@H]1OC[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)[C@@H]1C ZINC000926747743 648523543 /nfs/dbraw/zinc/52/35/43/648523543.db2.gz XRQNRHNLLPNSLC-VOAKCMCISA-N 2 2 269.389 0.339 20 0 CCADLP C[C@@H]1OC[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)[C@@H]1C ZINC000926747743 648523544 /nfs/dbraw/zinc/52/35/44/648523544.db2.gz XRQNRHNLLPNSLC-VOAKCMCISA-N 2 2 269.389 0.339 20 0 CCADLP C[C@H](c1nnnn1C1CC1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931481011 648994114 /nfs/dbraw/zinc/99/41/14/648994114.db2.gz BKAFDKNXKIPKOE-LLVKDONJSA-N 2 2 294.403 0.458 20 0 CCADLP Nc1cc[nH+]c2c1C[N@H+](C[C@H](O)C1(O)CCC1)CC2 ZINC000931517379 648999739 /nfs/dbraw/zinc/99/97/39/648999739.db2.gz YHHZTTYEJWAMIF-ZDUSSCGKSA-N 2 2 263.341 0.298 20 0 CCADLP Nc1cc[nH+]c2c1C[N@@H+](C[C@H](O)C1(O)CCC1)CC2 ZINC000931517379 648999744 /nfs/dbraw/zinc/99/97/44/648999744.db2.gz YHHZTTYEJWAMIF-ZDUSSCGKSA-N 2 2 263.341 0.298 20 0 CCADLP Cc1nc(N2CC[NH+](CCn3cc[nH+]c3C)CC2)n[nH]1 ZINC000931628065 649010914 /nfs/dbraw/zinc/01/09/14/649010914.db2.gz KKGBWJHUFRRCTL-UHFFFAOYSA-N 2 2 275.360 0.440 20 0 CCADLP CCN1C(=O)CN(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)C1=O ZINC000246206507 649665860 /nfs/dbraw/zinc/66/58/60/649665860.db2.gz BNXNXTLDJQNKEN-CHWSQXEVSA-N 2 2 294.399 0.644 20 0 CCADLP CCN1C(=O)CN(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)C1=O ZINC000246206507 649665862 /nfs/dbraw/zinc/66/58/62/649665862.db2.gz BNXNXTLDJQNKEN-CHWSQXEVSA-N 2 2 294.399 0.644 20 0 CCADLP CCN1C(=O)CN(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)C1=O ZINC000246206507 649665864 /nfs/dbraw/zinc/66/58/64/649665864.db2.gz BNXNXTLDJQNKEN-CHWSQXEVSA-N 2 2 294.399 0.644 20 0 CCADLP CCN1C(=O)CN(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)C1=O ZINC000246206507 649665866 /nfs/dbraw/zinc/66/58/66/649665866.db2.gz BNXNXTLDJQNKEN-CHWSQXEVSA-N 2 2 294.399 0.644 20 0 CCADLP C[NH+]1CCN(c2cccc(N3CC[C@H](CO)C3)[nH+]2)CC1 ZINC001165032693 721878015 /nfs/dbraw/zinc/87/80/15/721878015.db2.gz ADQQZEXFXHUWLI-ZDUSSCGKSA-N 2 2 276.384 0.652 20 0 CCADLP C[C@H](O)CCC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209835497 790695548 /nfs/dbraw/zinc/69/55/48/790695548.db2.gz CENRALRRHXSUKL-QWHCGFSZSA-N 2 2 294.399 0.694 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]Cc1ccccn1 ZINC001149131204 790849532 /nfs/dbraw/zinc/84/95/32/790849532.db2.gz XDNFAZSSTGPZTQ-UHFFFAOYSA-N 2 2 273.340 0.562 20 0 CCADLP CC[C@H](F)C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167346864 790936471 /nfs/dbraw/zinc/93/64/71/790936471.db2.gz SHBXQHPRYNRACT-JTQLQIEISA-N 2 2 256.325 0.796 20 0 CCADLP CC(C)COCC[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167346628 790937300 /nfs/dbraw/zinc/93/73/00/790937300.db2.gz QZXUYBLQOLZZHV-UHFFFAOYSA-N 2 2 282.388 0.721 20 0 CCADLP CC(C)C[N@@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C1 ZINC001083206743 790944220 /nfs/dbraw/zinc/94/42/20/790944220.db2.gz PUEOYDHHSBTYOI-UONOGXRCSA-N 2 2 292.383 0.520 20 0 CCADLP CC(C)C[N@H+]1C[C@H]2OCCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C1 ZINC001083206743 790944227 /nfs/dbraw/zinc/94/42/27/790944227.db2.gz PUEOYDHHSBTYOI-UONOGXRCSA-N 2 2 292.383 0.520 20 0 CCADLP CC[C@H]([NH2+]CCCNC(=O)C[C@@H](C)n1cc[nH+]c1)C(N)=O ZINC001167429867 791064947 /nfs/dbraw/zinc/06/49/47/791064947.db2.gz ZIBHEENNTBLNGO-NEPJUHHUSA-N 2 2 295.387 0.194 20 0 CCADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cncc(O)c1 ZINC001232043595 805891879 /nfs/dbraw/zinc/89/18/79/805891879.db2.gz UAUQQFCNPNWFLC-JKSUJKDBSA-N 2 2 290.411 0.997 20 0 CCADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cncc(O)c1 ZINC001232043595 805891888 /nfs/dbraw/zinc/89/18/88/805891888.db2.gz UAUQQFCNPNWFLC-JKSUJKDBSA-N 2 2 290.411 0.997 20 0 CCADLP Cc1cc[nH+]c(N2C[C@@H]3[C@H](C2)OCCN3CC[NH+](C)C)c1 ZINC001277681200 805958891 /nfs/dbraw/zinc/95/88/91/805958891.db2.gz UZYNOMLAXSFPQG-CABCVRRESA-N 2 2 290.411 0.841 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CCF ZINC001266951047 791386006 /nfs/dbraw/zinc/38/60/06/791386006.db2.gz ZENLOGSPHXHNDS-QWRGUYRKSA-N 2 2 268.336 0.509 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CCCF ZINC001266950739 791386975 /nfs/dbraw/zinc/38/69/75/791386975.db2.gz WLEXIDKCKQUDAB-NWDGAFQWSA-N 2 2 282.363 0.899 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N(C)CC[NH2+]Cc1ccn(C)n1 ZINC001267081666 791518747 /nfs/dbraw/zinc/51/87/47/791518747.db2.gz QSIAPFZRPGWIIM-UHFFFAOYSA-N 2 2 290.371 0.173 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001022692103 791528297 /nfs/dbraw/zinc/52/82/97/791528297.db2.gz FWLKDCVTDIEXJK-WISYIIOYSA-N 2 2 292.383 0.447 20 0 CCADLP C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3COC[C@@H]3O2)[C@H](C[NH3+])C1 ZINC000724601711 791622068 /nfs/dbraw/zinc/62/20/68/791622068.db2.gz UZAYGRWAWKJNKI-QMVSFRDZSA-N 2 2 254.374 0.850 20 0 CCADLP C[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]3COC[C@@H]3O2)[C@H](C[NH3+])C1 ZINC000724601711 791622072 /nfs/dbraw/zinc/62/20/72/791622072.db2.gz UZAYGRWAWKJNKI-QMVSFRDZSA-N 2 2 254.374 0.850 20 0 CCADLP C[C@@H]1c2nc(C(N)=O)cn2CC[N@H+]1CC1CC[NH2+]CC1 ZINC001277822145 806161250 /nfs/dbraw/zinc/16/12/50/806161250.db2.gz QTXUQFQTNFQECO-SNVBAGLBSA-N 2 2 277.372 0.358 20 0 CCADLP C[C@@H]1c2nc(C(N)=O)cn2CC[N@@H+]1CC1CC[NH2+]CC1 ZINC001277822145 806161253 /nfs/dbraw/zinc/16/12/53/806161253.db2.gz QTXUQFQTNFQECO-SNVBAGLBSA-N 2 2 277.372 0.358 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001234012213 806168794 /nfs/dbraw/zinc/16/87/94/806168794.db2.gz OTSRKPJUGKPTQB-NWDGAFQWSA-N 2 2 280.372 0.256 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001234012213 806168797 /nfs/dbraw/zinc/16/87/97/806168797.db2.gz OTSRKPJUGKPTQB-NWDGAFQWSA-N 2 2 280.372 0.256 20 0 CCADLP S=C1C=COC1C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235059970 806361990 /nfs/dbraw/zinc/36/19/90/806361990.db2.gz DIBTTZUNMTYHEX-LBPRGKRZSA-N 2 2 253.371 0.706 20 0 CCADLP S=C1C=COC1C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235059970 806361997 /nfs/dbraw/zinc/36/19/97/806361997.db2.gz DIBTTZUNMTYHEX-LBPRGKRZSA-N 2 2 253.371 0.706 20 0 CCADLP c1cn2ccc(CN3CCN[C@]4(CC[NH2+]C4)C3)cc2[nH+]1 ZINC001235065646 806368848 /nfs/dbraw/zinc/36/88/48/806368848.db2.gz YEQPTCOMQMUPPI-HNNXBMFYSA-N 2 2 271.368 0.472 20 0 CCADLP C(C[N@@H+]1CCCC[C@@]12CC[NH2+]C2)[C@@H]1C[NH2+]CCO1 ZINC001235122632 806372993 /nfs/dbraw/zinc/37/29/93/806372993.db2.gz HNZKZHPKKOTISI-KGLIPLIRSA-N 3 2 253.390 0.583 20 0 CCADLP C(C[N@H+]1CCCC[C@@]12CC[NH2+]C2)[C@@H]1C[NH2+]CCO1 ZINC001235122632 806373002 /nfs/dbraw/zinc/37/30/02/806373002.db2.gz HNZKZHPKKOTISI-KGLIPLIRSA-N 3 2 253.390 0.583 20 0 CCADLP OCCC[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001235479725 806429384 /nfs/dbraw/zinc/42/93/84/806429384.db2.gz QWHPDLULXTWWSW-GJZGRUSLSA-N 2 2 261.369 0.828 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+]1C[C@@H](C(=O)NC2CCCC2)C[C@H]2OCC[C@H]21 ZINC001235475183 806429450 /nfs/dbraw/zinc/42/94/50/806429450.db2.gz UYFZATKGHLHTKJ-AYRXBEOTSA-N 2 2 295.427 0.872 20 0 CCADLP C[C@@H]([NH3+])C[N@H+]1C[C@@H](C(=O)NC2CCCC2)C[C@H]2OCC[C@H]21 ZINC001235475183 806429454 /nfs/dbraw/zinc/42/94/54/806429454.db2.gz UYFZATKGHLHTKJ-AYRXBEOTSA-N 2 2 295.427 0.872 20 0 CCADLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+](CCCO)C2)C1 ZINC001235486578 806430911 /nfs/dbraw/zinc/43/09/11/806430911.db2.gz RGLDZANGMDKUAK-HNNXBMFYSA-N 2 2 286.416 0.430 20 0 CCADLP COCC[N@H+]1CCOC[C@]2(CCC[NH+](CCCO)C2)C1 ZINC001235486578 806430914 /nfs/dbraw/zinc/43/09/14/806430914.db2.gz RGLDZANGMDKUAK-HNNXBMFYSA-N 2 2 286.416 0.430 20 0 CCADLP COCC[NH+]1CCOC[C@]2(CCC[N@H+](CCCO)C2)C1 ZINC001235486578 806430919 /nfs/dbraw/zinc/43/09/19/806430919.db2.gz RGLDZANGMDKUAK-HNNXBMFYSA-N 2 2 286.416 0.430 20 0 CCADLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+](CCCO)C2)C1 ZINC001235486578 806430926 /nfs/dbraw/zinc/43/09/26/806430926.db2.gz RGLDZANGMDKUAK-HNNXBMFYSA-N 2 2 286.416 0.430 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1CC[C@H]2OCC[C@@H](C(=O)N(C)C)[C@H]2C1 ZINC001235493453 806435445 /nfs/dbraw/zinc/43/54/45/806435445.db2.gz MRPUIOFHXCWLIH-UMSGYPCISA-N 2 2 269.389 0.149 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1CC[C@H]2OCC[C@@H](C(=O)N(C)C)[C@H]2C1 ZINC001235493453 806435449 /nfs/dbraw/zinc/43/54/49/806435449.db2.gz MRPUIOFHXCWLIH-UMSGYPCISA-N 2 2 269.389 0.149 20 0 CCADLP Cc1ncn(C)c1C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001235540039 806448765 /nfs/dbraw/zinc/44/87/65/806448765.db2.gz GBLRJXKPTHXDQF-UHFFFAOYSA-N 2 2 265.405 0.408 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1CC[C@@]2(CC(=O)N(c3cncnc3)C2)C1 ZINC001235637940 806478710 /nfs/dbraw/zinc/47/87/10/806478710.db2.gz OCDKDSPPWPEMMO-SMDDNHRTSA-N 2 2 275.356 0.253 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1CC[C@@]2(CC(=O)N(c3cncnc3)C2)C1 ZINC001235637940 806478715 /nfs/dbraw/zinc/47/87/15/806478715.db2.gz OCDKDSPPWPEMMO-SMDDNHRTSA-N 2 2 275.356 0.253 20 0 CCADLP C[C@H]([NH3+])C[NH+]1CCC2(CC(N3CCCC3)=NO2)CC1 ZINC001235644885 806480586 /nfs/dbraw/zinc/48/05/86/806480586.db2.gz RBGCTQWHMCFPGZ-LBPRGKRZSA-N 2 2 266.389 0.998 20 0 CCADLP C[C@H]1NC=C2C(=O)OCCC2=C1C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001236242868 806556281 /nfs/dbraw/zinc/55/62/81/806556281.db2.gz KWLOYJZZNUGHHP-GHMZBOCLSA-N 2 2 277.368 0.529 20 0 CCADLP C[C@H]1NC=C2C(=O)OCCC2=C1C[N@H+]1CCC[C@@H]1C[NH3+] ZINC001236242868 806556286 /nfs/dbraw/zinc/55/62/86/806556286.db2.gz KWLOYJZZNUGHHP-GHMZBOCLSA-N 2 2 277.368 0.529 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](CC2C[C@H](C)O[C@@H](C)C2)C[C@@H]1[NH3+] ZINC001236340877 806571938 /nfs/dbraw/zinc/57/19/38/806571938.db2.gz KDCGBXQAFFQLKH-DJIHRAIXSA-N 2 2 270.373 0.622 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](CC2C[C@H](C)O[C@@H](C)C2)C[C@@H]1[NH3+] ZINC001236340877 806571945 /nfs/dbraw/zinc/57/19/45/806571945.db2.gz KDCGBXQAFFQLKH-DJIHRAIXSA-N 2 2 270.373 0.622 20 0 CCADLP COCCOC[N@@H+]1CC[C@H]2[C@@H]1CCN2CCC[NH+](C)C ZINC001278049973 806638928 /nfs/dbraw/zinc/63/89/28/806638928.db2.gz XQOPYUKFTSSCCA-GJZGRUSLSA-N 2 2 285.432 0.707 20 0 CCADLP COCCOC[N@H+]1CC[C@H]2[C@@H]1CCN2CCC[NH+](C)C ZINC001278049973 806638931 /nfs/dbraw/zinc/63/89/31/806638931.db2.gz XQOPYUKFTSSCCA-GJZGRUSLSA-N 2 2 285.432 0.707 20 0 CCADLP COCCOC[N@@H+]1C[C@@H]2CCN(CC[NH+]3CCCC3)[C@@H]2C1 ZINC001278059690 806643392 /nfs/dbraw/zinc/64/33/92/806643392.db2.gz IKHXIESDWODDDY-JKSUJKDBSA-N 2 2 297.443 0.709 20 0 CCADLP COCCOC[N@H+]1C[C@@H]2CCN(CC[NH+]3CCCC3)[C@@H]2C1 ZINC001278059690 806643395 /nfs/dbraw/zinc/64/33/95/806643395.db2.gz IKHXIESDWODDDY-JKSUJKDBSA-N 2 2 297.443 0.709 20 0 CCADLP CCOC(=O)[C@H]1C[N@H+](C[C@@H]2CCC[NH2+]2)CCC12C[NH2+]C2 ZINC001237408525 806660815 /nfs/dbraw/zinc/66/08/15/806660815.db2.gz CDISDHGTPZBUAX-QWHCGFSZSA-N 3 2 281.400 0.213 20 0 CCADLP CCOC(=O)[C@H]1C[N@@H+](C[C@@H]2CCC[NH2+]2)CCC12C[NH2+]C2 ZINC001237408525 806660820 /nfs/dbraw/zinc/66/08/20/806660820.db2.gz CDISDHGTPZBUAX-QWHCGFSZSA-N 3 2 281.400 0.213 20 0 CCADLP C[NH+]1CCC(NC(=O)c2cc3c([nH]2)C[N@H+](C)CC3)CC1 ZINC001278098668 806666751 /nfs/dbraw/zinc/66/67/51/806666751.db2.gz WFOSBEURKFCBEB-UHFFFAOYSA-N 2 2 276.384 0.827 20 0 CCADLP C[NH+]1CCC(NC(=O)c2cc3c([nH]2)C[N@@H+](C)CC3)CC1 ZINC001278098668 806666754 /nfs/dbraw/zinc/66/67/54/806666754.db2.gz WFOSBEURKFCBEB-UHFFFAOYSA-N 2 2 276.384 0.827 20 0 CCADLP C[C@@H]1CCCN1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001120556908 798864416 /nfs/dbraw/zinc/86/44/16/798864416.db2.gz BYMZEDHMILGSFC-LLVKDONJSA-N 2 2 254.378 0.603 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C[C@H]([NH3+])C(F)F ZINC001122005810 799120257 /nfs/dbraw/zinc/12/02/57/799120257.db2.gz VAOSBMLWXLPWFS-JEZHCXPESA-N 2 2 261.316 0.568 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C[C@H]([NH3+])C(F)F ZINC001122005810 799120258 /nfs/dbraw/zinc/12/02/58/799120258.db2.gz VAOSBMLWXLPWFS-JEZHCXPESA-N 2 2 261.316 0.568 20 0 CCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)C[C@@H]([NH3+])C(F)F)C1 ZINC001122005753 799120287 /nfs/dbraw/zinc/12/02/87/799120287.db2.gz STLOFCBUXITORQ-NXEZZACHSA-N 2 2 263.332 0.769 20 0 CCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@@H]([NH3+])C(F)F)C1 ZINC001122005753 799120289 /nfs/dbraw/zinc/12/02/89/799120289.db2.gz STLOFCBUXITORQ-NXEZZACHSA-N 2 2 263.332 0.769 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H]([NH3+])C(F)F)CC[C@@H]21 ZINC001122192692 799166149 /nfs/dbraw/zinc/16/61/49/799166149.db2.gz VRSPVQMJSRGEDL-BBBLOLIVSA-N 2 2 261.316 0.522 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H]([NH3+])C(F)F)CC[C@@H]21 ZINC001122192692 799166153 /nfs/dbraw/zinc/16/61/53/799166153.db2.gz VRSPVQMJSRGEDL-BBBLOLIVSA-N 2 2 261.316 0.522 20 0 CCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001138469692 799734813 /nfs/dbraw/zinc/73/48/13/799734813.db2.gz KBSKBYXJLVJSJC-ZYHUDNBSSA-N 2 2 278.356 0.722 20 0 CCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001138469692 799734819 /nfs/dbraw/zinc/73/48/19/799734819.db2.gz KBSKBYXJLVJSJC-ZYHUDNBSSA-N 2 2 278.356 0.722 20 0 CCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001138469692 799734824 /nfs/dbraw/zinc/73/48/24/799734824.db2.gz KBSKBYXJLVJSJC-ZYHUDNBSSA-N 2 2 278.356 0.722 20 0 CCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001138469692 799734831 /nfs/dbraw/zinc/73/48/31/799734831.db2.gz KBSKBYXJLVJSJC-ZYHUDNBSSA-N 2 2 278.356 0.722 20 0 CCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001138469688 799735383 /nfs/dbraw/zinc/73/53/83/799735383.db2.gz KBSKBYXJLVJSJC-CMPLNLGQSA-N 2 2 278.356 0.722 20 0 CCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001138469688 799735385 /nfs/dbraw/zinc/73/53/85/799735385.db2.gz KBSKBYXJLVJSJC-CMPLNLGQSA-N 2 2 278.356 0.722 20 0 CCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001138469688 799735389 /nfs/dbraw/zinc/73/53/89/799735389.db2.gz KBSKBYXJLVJSJC-CMPLNLGQSA-N 2 2 278.356 0.722 20 0 CCADLP Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001138469688 799735392 /nfs/dbraw/zinc/73/53/92/799735392.db2.gz KBSKBYXJLVJSJC-CMPLNLGQSA-N 2 2 278.356 0.722 20 0 CCADLP CNc1ncccc1C[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001138696469 799746877 /nfs/dbraw/zinc/74/68/77/799746877.db2.gz OZZNMBXUSOGSRX-UHFFFAOYSA-N 2 2 277.416 0.803 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1C[C@H]([NH2+]CCO)C12CCC2 ZINC001202857244 799749730 /nfs/dbraw/zinc/74/97/30/799749730.db2.gz QENQYOQKRJTSEN-RYUDHWBXSA-N 2 2 292.383 0.352 20 0 CCADLP CCC1(C[NH+]2CCN(CC[NH+]3CCOCC3)CC2)COC1 ZINC001202958763 799829409 /nfs/dbraw/zinc/82/94/09/799829409.db2.gz WCFSZWMTHMXVJP-UHFFFAOYSA-N 2 2 297.443 0.363 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC001139854906 799849393 /nfs/dbraw/zinc/84/93/93/799849393.db2.gz CHFMQVYYJXAZSR-JHJVBQTASA-N 2 2 269.364 0.725 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC001139854906 799849399 /nfs/dbraw/zinc/84/93/99/799849399.db2.gz CHFMQVYYJXAZSR-JHJVBQTASA-N 2 2 269.364 0.725 20 0 CCADLP CCC[N@H+]1C[C@@H]2C[NH+](CC3C(=O)N=CNC3=O)C[C@@H]2C1 ZINC001140473612 799915042 /nfs/dbraw/zinc/91/50/42/799915042.db2.gz CGSFMEBPVJUURS-PHIMTYICSA-N 2 2 278.356 0.661 20 0 CCADLP CCC[N@@H+]1C[C@@H]2C[NH+](CC3C(=O)N=CNC3=O)C[C@@H]2C1 ZINC001140473612 799915045 /nfs/dbraw/zinc/91/50/45/799915045.db2.gz CGSFMEBPVJUURS-PHIMTYICSA-N 2 2 278.356 0.661 20 0 CCADLP CCC[NH+]1C[C@@H]2C[N@@H+](CC3C(=O)N=CNC3=O)C[C@@H]2C1 ZINC001140473612 799915048 /nfs/dbraw/zinc/91/50/48/799915048.db2.gz CGSFMEBPVJUURS-PHIMTYICSA-N 2 2 278.356 0.661 20 0 CCADLP CCC[NH+]1C[C@@H]2C[N@H+](CC3C(=O)N=CNC3=O)C[C@@H]2C1 ZINC001140473612 799915050 /nfs/dbraw/zinc/91/50/50/799915050.db2.gz CGSFMEBPVJUURS-PHIMTYICSA-N 2 2 278.356 0.661 20 0 CCADLP COC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001161215026 800030315 /nfs/dbraw/zinc/03/03/15/800030315.db2.gz KVCAODAMERBWPZ-QWHCGFSZSA-N 2 2 294.399 0.576 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]Cc1cncs1 ZINC001149570953 800276953 /nfs/dbraw/zinc/27/69/53/800276953.db2.gz IJTBZXXIPHOBFM-UHFFFAOYSA-N 2 2 293.396 0.715 20 0 CCADLP C(C[NH+]1CCCCCC1)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246174597 807174564 /nfs/dbraw/zinc/17/45/64/807174564.db2.gz WFAXSRWFUGDVLF-AWEZNQCLSA-N 3 2 266.433 0.546 20 0 CCADLP Cc1noc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001151074476 800394766 /nfs/dbraw/zinc/39/47/66/800394766.db2.gz ZQFTVNLYKDSXDK-GXSJLCMTSA-N 2 2 281.360 0.097 20 0 CCADLP Cc1noc([C@H](C)[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001151074476 800394773 /nfs/dbraw/zinc/39/47/73/800394773.db2.gz ZQFTVNLYKDSXDK-GXSJLCMTSA-N 2 2 281.360 0.097 20 0 CCADLP Cc1noc([C@H](C)[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001151074481 800394973 /nfs/dbraw/zinc/39/49/73/800394973.db2.gz ZQFTVNLYKDSXDK-ONGXEEELSA-N 2 2 281.360 0.097 20 0 CCADLP Cc1noc([C@H](C)[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001151074481 800394979 /nfs/dbraw/zinc/39/49/79/800394979.db2.gz ZQFTVNLYKDSXDK-ONGXEEELSA-N 2 2 281.360 0.097 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)Cn2cc[nH+]c2C)o1 ZINC001151121164 800400947 /nfs/dbraw/zinc/40/09/47/800400947.db2.gz CTDUNNDQVXDIJZ-SECBINFHSA-N 2 2 292.343 0.350 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2C)o1 ZINC001151147502 800404316 /nfs/dbraw/zinc/40/43/16/800404316.db2.gz OUYDXVXYRVJXHP-UHFFFAOYSA-N 2 2 292.343 0.043 20 0 CCADLP O=C(NCC[NH2+]CCCF)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001151815622 800461694 /nfs/dbraw/zinc/46/16/94/800461694.db2.gz XCSWDAKRQNOMLQ-ZDUSSCGKSA-N 2 2 287.379 0.163 20 0 CCADLP O=C(CCC[NH+]1CCCC1)NCC[NH2+]Cc1csnn1 ZINC001152224299 800503182 /nfs/dbraw/zinc/50/31/82/800503182.db2.gz UKXLVHCBMDCPRF-UHFFFAOYSA-N 2 2 297.428 0.620 20 0 CCADLP COCCC[NH2+]CCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001152618181 800542225 /nfs/dbraw/zinc/54/22/25/800542225.db2.gz JXVDRBTWGXHGGU-CQSZACIVSA-N 2 2 294.399 0.427 20 0 CCADLP Cc1nc(C)c(C[NH2+]CCNC(=O)Cn2cc[nH+]c2)o1 ZINC001153496270 800634846 /nfs/dbraw/zinc/63/48/46/800634846.db2.gz XZHDZYUEBDLASM-UHFFFAOYSA-N 2 2 277.328 0.394 20 0 CCADLP COCCCC[NH2+]CCNC(=O)Cn1cc[nH+]c1 ZINC001153500006 800636457 /nfs/dbraw/zinc/63/64/57/800636457.db2.gz CFOVCUDNNRCJBX-UHFFFAOYSA-N 2 2 254.334 0.016 20 0 CCADLP [NH3+][C@H]1COC[C@H]1Nc1cc(N2CCSCC2)[nH+]cn1 ZINC001155354318 800957459 /nfs/dbraw/zinc/95/74/59/800957459.db2.gz FKJNXSUYRICTKM-VHSXEESVSA-N 2 2 281.385 0.168 20 0 CCADLP CC[N@H+](CC(N)=O)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155521601 800997946 /nfs/dbraw/zinc/99/79/46/800997946.db2.gz LPFZAGUXUXDODS-VXGBXAGGSA-N 2 2 295.387 0.146 20 0 CCADLP CC[N@@H+](CC(N)=O)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155521601 800997951 /nfs/dbraw/zinc/99/79/51/800997951.db2.gz LPFZAGUXUXDODS-VXGBXAGGSA-N 2 2 295.387 0.146 20 0 CCADLP CC[N@H+](CCO)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155520746 800998046 /nfs/dbraw/zinc/99/80/46/800998046.db2.gz BHEGMZAEMPLCTO-CHWSQXEVSA-N 2 2 282.388 0.653 20 0 CCADLP CC[N@@H+](CCO)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001155520746 800998052 /nfs/dbraw/zinc/99/80/52/800998052.db2.gz BHEGMZAEMPLCTO-CHWSQXEVSA-N 2 2 282.388 0.653 20 0 CCADLP Nc1cc(CNc2ncnc3c2CC[NH2+]CC3)cc[nH+]1 ZINC001156755685 801230922 /nfs/dbraw/zinc/23/09/22/801230922.db2.gz HZVJUHSPEMBPFY-UHFFFAOYSA-N 2 2 270.340 0.754 20 0 CCADLP Nc1cc(CNc2ncnc3c2CC[NH2+]C3)cc[nH+]1 ZINC001156756241 801231014 /nfs/dbraw/zinc/23/10/14/801231014.db2.gz UVHAAEZZIQFDIC-UHFFFAOYSA-N 2 2 256.313 0.712 20 0 CCADLP Nc1cc(CNc2cc3c(nn2)CC[NH2+]C3)cc[nH+]1 ZINC001156757273 801231396 /nfs/dbraw/zinc/23/13/96/801231396.db2.gz PFBVKXMBHYXRKA-UHFFFAOYSA-N 2 2 256.313 0.712 20 0 CCADLP COc1cnccc1[C@@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C1CC1 ZINC001157082259 801296464 /nfs/dbraw/zinc/29/64/64/801296464.db2.gz JMSVNZXHQVNVTE-OBJOEFQTSA-N 2 2 290.367 0.204 20 0 CCADLP Cc1nocc1C[NH2+]CCCNC(=O)CCc1[nH]cc[nH+]1 ZINC001157257718 801334327 /nfs/dbraw/zinc/33/43/27/801334327.db2.gz WKGLIDFXSDGYPI-UHFFFAOYSA-N 2 2 291.355 0.935 20 0 CCADLP CCN(c1ccnc(N2CC[NH+](C)CC2)n1)C1C[NH+](C)C1 ZINC001157461522 801390282 /nfs/dbraw/zinc/39/02/82/801390282.db2.gz LKYVJVLTHXSCCB-UHFFFAOYSA-N 2 2 290.415 0.369 20 0 CCADLP CCN(CCn1cc[nH+]c1)c1cc2c(nn1)CC[NH2+]C2 ZINC001157462747 801390764 /nfs/dbraw/zinc/39/07/64/801390764.db2.gz YEQCQBGQSJBTRE-UHFFFAOYSA-N 2 2 272.356 0.845 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cc3c(cn2)NC(=O)C3)CC1 ZINC001157915112 801519067 /nfs/dbraw/zinc/51/90/67/801519067.db2.gz PUBXKABECQRUTR-UHFFFAOYSA-N 2 2 274.328 0.170 20 0 CCADLP O=C(N1CCC(OC2CCC2)CC1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001157960010 801540981 /nfs/dbraw/zinc/54/09/81/801540981.db2.gz GUTQJJKVTBAJNR-MLGOLLRUSA-N 2 2 293.411 0.498 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)N2CCC3(COC3)C2)cc1 ZINC001158168846 801581680 /nfs/dbraw/zinc/58/16/80/801581680.db2.gz PXBIFWLASYRALC-CYBMUJFWSA-N 2 2 275.352 0.508 20 0 CCADLP COc1cccc2c1ncnc2-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158203475 801591093 /nfs/dbraw/zinc/59/10/93/801591093.db2.gz AAARFCUTUCIXNU-SNVBAGLBSA-N 2 2 299.334 0.686 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cnc2ccc(F)cc2n1 ZINC001158203897 801592702 /nfs/dbraw/zinc/59/27/02/801592702.db2.gz JEGSXUZJWOXOCF-SNVBAGLBSA-N 2 2 287.298 0.817 20 0 CCADLP CCc1cc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc(C)n1 ZINC001158206351 801594791 /nfs/dbraw/zinc/59/47/91/801594791.db2.gz KHRIVNOYKBZBEP-SNVBAGLBSA-N 2 2 261.329 0.395 20 0 CCADLP Nc1cc[nH+]c(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)c1 ZINC001158258077 801607504 /nfs/dbraw/zinc/60/75/04/801607504.db2.gz PTNXEZBSYVIQEX-GFCCVEGCSA-N 3 2 261.373 0.666 20 0 CCADLP Nc1cc[nH+]c(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)c1 ZINC001158258077 801607509 /nfs/dbraw/zinc/60/75/09/801607509.db2.gz PTNXEZBSYVIQEX-GFCCVEGCSA-N 3 2 261.373 0.666 20 0 CCADLP CC(C)[N@H+](C)Cc1n[nH]c2c1CCN(C(=O)[C@@H](C)C[NH3+])C2 ZINC001158855172 801713988 /nfs/dbraw/zinc/71/39/88/801713988.db2.gz FJTSMFBGXUSYEL-NSHDSACASA-N 2 2 293.415 0.729 20 0 CCADLP CC(C)[N@@H+](C)Cc1n[nH]c2c1CCN(C(=O)[C@@H](C)C[NH3+])C2 ZINC001158855172 801713990 /nfs/dbraw/zinc/71/39/90/801713990.db2.gz FJTSMFBGXUSYEL-NSHDSACASA-N 2 2 293.415 0.729 20 0 CCADLP c1nc(N2CC[NH2+]C3(CC3)C2)cc(N2CCSCC2)[nH+]1 ZINC001158943767 801727009 /nfs/dbraw/zinc/72/70/09/801727009.db2.gz CMFQGALHVUFMJM-UHFFFAOYSA-N 2 2 291.424 0.972 20 0 CCADLP CN(CC[NH3+])CCNc1nc(NC2CC2)cc[nH+]1 ZINC001159432133 801803269 /nfs/dbraw/zinc/80/32/69/801803269.db2.gz RNBJBEWYXQOCFX-UHFFFAOYSA-N 2 2 250.350 0.353 20 0 CCADLP COCC[NH2+]CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001159537535 801832591 /nfs/dbraw/zinc/83/25/91/801832591.db2.gz ZMKCYVKUSLHURQ-UHFFFAOYSA-N 2 2 254.334 0.085 20 0 CCADLP COCC[NH2+]CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001159537535 801832600 /nfs/dbraw/zinc/83/26/00/801832600.db2.gz ZMKCYVKUSLHURQ-UHFFFAOYSA-N 2 2 254.334 0.085 20 0 CCADLP CCc1cc(N[C@@]([NH3+])(CC)CO)nc(N2CCOCC2)[nH+]1 ZINC001159744064 801859358 /nfs/dbraw/zinc/85/93/58/801859358.db2.gz NQCGVWKZMNDVJK-AWEZNQCLSA-N 2 2 295.387 0.345 20 0 CCADLP COCCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001160327375 801930484 /nfs/dbraw/zinc/93/04/84/801930484.db2.gz WKAXNZBJHWADOW-VXGBXAGGSA-N 2 2 280.372 0.646 20 0 CCADLP COCCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001160327375 801930489 /nfs/dbraw/zinc/93/04/89/801930489.db2.gz WKAXNZBJHWADOW-VXGBXAGGSA-N 2 2 280.372 0.646 20 0 CCADLP CC(C)N(CC1CC1)C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001160484423 801949535 /nfs/dbraw/zinc/94/95/35/801949535.db2.gz ZGZOLTHYTLUMRR-LBPRGKRZSA-N 2 2 250.346 0.927 20 0 CCADLP CCN(C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)C1CCOCC1 ZINC001160490573 801950951 /nfs/dbraw/zinc/95/09/51/801950951.db2.gz BWUNPDSBOPAYHW-GFCCVEGCSA-N 2 2 266.345 0.307 20 0 CCADLP CN(CCc1cccs1)C(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160531146 801963021 /nfs/dbraw/zinc/96/30/21/801963021.db2.gz GUWXHUFASRSJHC-BXUZGUMPSA-N 2 2 279.409 0.701 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1Cc1ccccn1 ZINC001160544163 801966417 /nfs/dbraw/zinc/96/64/17/801966417.db2.gz HKDKRDGPMZAFEM-HUUCEWRRSA-N 2 2 299.378 0.908 20 0 CCADLP C[NH+]1CCN(c2cccc(NC/C=C/C[NH3+])[nH+]2)CC1 ZINC001160982662 802057805 /nfs/dbraw/zinc/05/78/05/802057805.db2.gz HJQPMGPUMBMLTE-NSCUHMNNSA-N 3 2 261.373 0.760 20 0 CCADLP CN(CC[N@@H+](C)Cc1ccccc1)C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001161160811 802103984 /nfs/dbraw/zinc/10/39/84/802103984.db2.gz GWABGWLPVPJWCG-GJZGRUSLSA-N 3 2 290.411 0.124 20 0 CCADLP O=C(NCCC[NH2+]CCCF)[C@H]1CCc2[nH+]ccn2C1 ZINC001161301656 802121895 /nfs/dbraw/zinc/12/18/95/802121895.db2.gz VNKNURUKNRDLRL-LBPRGKRZSA-N 2 2 282.363 0.901 20 0 CCADLP CCOCC[NH2+]CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001161308733 802124242 /nfs/dbraw/zinc/12/42/42/802124242.db2.gz FEDVAMZZAMHKMS-CYBMUJFWSA-N 2 2 294.399 0.578 20 0 CCADLP O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CC[N@@H+]2CC[C@@H]2C1 ZINC001161424096 802153241 /nfs/dbraw/zinc/15/32/41/802153241.db2.gz YWMYAWZWXIIOCL-CABCVRRESA-N 2 2 271.364 0.617 20 0 CCADLP O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CC[N@H+]2CC[C@@H]2C1 ZINC001161424096 802153243 /nfs/dbraw/zinc/15/32/43/802153243.db2.gz YWMYAWZWXIIOCL-CABCVRRESA-N 2 2 271.364 0.617 20 0 CCADLP [NH3+]C[C@H](O)CC(=O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001161470209 802159529 /nfs/dbraw/zinc/15/95/29/802159529.db2.gz CVZNCJVNFAIMHK-GHMZBOCLSA-N 2 2 291.342 0.028 20 0 CCADLP CN(C)c1cc(NC[C@H]2C[NH2+]CC(C)(C)O2)[nH+]cn1 ZINC001161950480 802256851 /nfs/dbraw/zinc/25/68/51/802256851.db2.gz IDRKPYMGPJGXQJ-SNVBAGLBSA-N 2 2 265.361 0.722 20 0 CCADLP CN(C)c1cc(NC[C@H]2C[NH2+]CC(C)(C)O2)nc[nH+]1 ZINC001161950480 802256859 /nfs/dbraw/zinc/25/68/59/802256859.db2.gz IDRKPYMGPJGXQJ-SNVBAGLBSA-N 2 2 265.361 0.722 20 0 CCADLP Cc1cc(C)c(C(N)=O)c(N[C@@H](C)CN2CC[NH2+]CC2)[nH+]1 ZINC001162090717 802273645 /nfs/dbraw/zinc/27/36/45/802273645.db2.gz UQHJJJAGGLQDPN-LBPRGKRZSA-N 2 2 291.399 0.503 20 0 CCADLP Cc1nc(N(C)C)nc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)[nH+]1 ZINC001162798184 802420882 /nfs/dbraw/zinc/42/08/82/802420882.db2.gz RWKAFHJLDCEMES-GARJFASQSA-N 2 2 260.345 0.432 20 0 CCADLP Fc1c[nH+]ccc1NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001163088854 802478939 /nfs/dbraw/zinc/47/89/39/802478939.db2.gz ICSPQUODUBRVNH-SNVBAGLBSA-N 2 2 251.305 0.823 20 0 CCADLP O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ccn3cc[nH+]c3c2)N1 ZINC001163241456 802514312 /nfs/dbraw/zinc/51/43/12/802514312.db2.gz NSYKDCQRLJJZLU-MFKMUULPSA-N 2 2 257.297 0.324 20 0 CCADLP Cn1cc(C[NH2+]CCCNC(=O)CCn2cc[nH+]c2)cn1 ZINC001163589150 802573279 /nfs/dbraw/zinc/57/32/79/802573279.db2.gz VPHLCGIQMJLVMY-UHFFFAOYSA-N 2 2 290.371 0.303 20 0 CCADLP C[C@H]1CC[C@@H](C[NH2+]CCCNC(=O)CCn2cc[nH+]c2)O1 ZINC001163593539 802574376 /nfs/dbraw/zinc/57/43/76/802574376.db2.gz KAZMPTXHMHEONU-KBPBESRZSA-N 2 2 294.399 0.937 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCC[NH2+]C[C@H]1CCCOC1 ZINC001163593946 802574846 /nfs/dbraw/zinc/57/48/46/802574846.db2.gz OHTMFPIRZJVKAW-CQSZACIVSA-N 2 2 294.399 0.796 20 0 CCADLP [NH3+]CCN(CCO)c1c(Br)ccc2[nH+]ccn21 ZINC001163840349 802623806 /nfs/dbraw/zinc/62/38/06/802623806.db2.gz VWPDQBFYZJXZOP-UHFFFAOYSA-N 2 2 299.172 0.854 20 0 CCADLP CC[NH+](CC)CCCNC(=O)C[C@@H]([NH3+])C(F)F ZINC000724716897 809987599 /nfs/dbraw/zinc/98/75/99/809987599.db2.gz SVONVMGSUQDMTJ-SECBINFHSA-N 2 2 251.321 0.817 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Nc2cccc3c2CC[C@H]3[NH3+])C[NH2+]1 ZINC001164312346 802719413 /nfs/dbraw/zinc/71/94/13/802719413.db2.gz POMFKVBLJCQHBA-BHYNMZESSA-N 2 2 275.352 0.948 20 0 CCADLP COC(=O)Cc1c[nH]c2c1C(=NOCC[NH3+])C=C[NH2+]2 ZINC001164438618 802742121 /nfs/dbraw/zinc/74/21/21/802742121.db2.gz CQMYKCONPRIXRY-UHFFFAOYSA-N 2 2 264.285 0.581 20 0 CCADLP CSCc1cc[nH+]c(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)c1 ZINC001165283821 802812937 /nfs/dbraw/zinc/81/29/37/802812937.db2.gz FLTRQDFWWOYCNT-OCCSQVGLSA-N 2 2 279.409 0.963 20 0 CCADLP Cc1cc(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)nc(C2CC2)[nH+]1 ZINC001165284156 802813310 /nfs/dbraw/zinc/81/33/10/802813310.db2.gz MMRFNZAAIOCAOB-DOMZBBRYSA-N 2 2 274.368 0.681 20 0 CCADLP COc1cncnc1-n1c(C)[nH+]c2c1CC[NH2+]CC2 ZINC001165352146 802826385 /nfs/dbraw/zinc/82/63/85/802826385.db2.gz QNWIBGIFOXXAAQ-UHFFFAOYSA-N 2 2 259.313 0.668 20 0 CCADLP COc1cc(-n2c(C)[nH+]c3c2CC[NH2+]CC3)nc(C)n1 ZINC001165354032 802826601 /nfs/dbraw/zinc/82/66/01/802826601.db2.gz ZGHUDSLCZSZAEV-UHFFFAOYSA-N 2 2 273.340 0.976 20 0 CCADLP COCC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C12CCC2 ZINC001203803706 803046284 /nfs/dbraw/zinc/04/62/84/803046284.db2.gz OFJZIAQOSDLUFM-QWHCGFSZSA-N 2 2 292.383 0.547 20 0 CCADLP C[C@@H]1CC[N@H+](Cc2cnc3n2CC[NH2+]C3)CC[C@@H]1C[NH3+] ZINC001205651505 803151615 /nfs/dbraw/zinc/15/16/15/803151615.db2.gz FXWGEPVXLACXTO-CHWSQXEVSA-N 3 2 277.416 0.793 20 0 CCADLP C[C@@H]1CC[N@@H+](Cc2cnc3n2CC[NH2+]C3)CC[C@@H]1C[NH3+] ZINC001205651505 803151616 /nfs/dbraw/zinc/15/16/16/803151616.db2.gz FXWGEPVXLACXTO-CHWSQXEVSA-N 3 2 277.416 0.793 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2ccnc(F)c2)C1 ZINC001205683439 803154429 /nfs/dbraw/zinc/15/44/29/803154429.db2.gz ZFRRBGYDVWIESM-CYBMUJFWSA-N 2 2 253.321 0.896 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccnc(F)c2)C1 ZINC001205683439 803154433 /nfs/dbraw/zinc/15/44/33/803154433.db2.gz ZFRRBGYDVWIESM-CYBMUJFWSA-N 2 2 253.321 0.896 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2cnc3c(c2)OCCO3)C1 ZINC001205681980 803154816 /nfs/dbraw/zinc/15/48/16/803154816.db2.gz PPDWTBWAENSZGJ-OAHLLOKOSA-N 2 2 293.367 0.529 20 0 CCADLP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2cnc3c(c2)OCCO3)C1 ZINC001205681980 803154818 /nfs/dbraw/zinc/15/48/18/803154818.db2.gz PPDWTBWAENSZGJ-OAHLLOKOSA-N 2 2 293.367 0.529 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](Cc2ccc3c(c2)CCCO3)C[C@H]1O ZINC001205953437 803190942 /nfs/dbraw/zinc/19/09/42/803190942.db2.gz ZEVNEJZDTAZAQH-ZIAGYGMSSA-N 2 2 262.353 0.906 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCCO3)C[C@H]1O ZINC001205953437 803190946 /nfs/dbraw/zinc/19/09/46/803190946.db2.gz ZEVNEJZDTAZAQH-ZIAGYGMSSA-N 2 2 262.353 0.906 20 0 CCADLP [NH3+][C@H]1CC[N@H+](Cc2ccc3n2CC[NH2+]C3)CC[C@@H]1F ZINC001206172760 803212063 /nfs/dbraw/zinc/21/20/63/803212063.db2.gz BUMSGKKWVOHBMY-KBPBESRZSA-N 3 2 266.364 0.853 20 0 CCADLP [NH3+][C@H]1CC[N@@H+](Cc2ccc3n2CC[NH2+]C3)CC[C@@H]1F ZINC001206172760 803212068 /nfs/dbraw/zinc/21/20/68/803212068.db2.gz BUMSGKKWVOHBMY-KBPBESRZSA-N 3 2 266.364 0.853 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C[C@H]1O ZINC001206465289 803246891 /nfs/dbraw/zinc/24/68/91/803246891.db2.gz ZDXUOBHNYPBHTN-YESZJQIVSA-N 3 2 289.423 0.760 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](C[C@H]2CC[NH+](Cc3ccccc3)C2)C[C@H]1O ZINC001206465289 803246893 /nfs/dbraw/zinc/24/68/93/803246893.db2.gz ZDXUOBHNYPBHTN-YESZJQIVSA-N 3 2 289.423 0.760 20 0 CCADLP [NH3+]C[C@H]1C[NH+](C[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1O ZINC001206465289 803246896 /nfs/dbraw/zinc/24/68/96/803246896.db2.gz ZDXUOBHNYPBHTN-YESZJQIVSA-N 3 2 289.423 0.760 20 0 CCADLP [NH3+]C[C@H]1C[NH+](C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1O ZINC001206465289 803246899 /nfs/dbraw/zinc/24/68/99/803246899.db2.gz ZDXUOBHNYPBHTN-YESZJQIVSA-N 3 2 289.423 0.760 20 0 CCADLP COc1ccc2n[nH]c(C[N@@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)c2c1 ZINC001206469056 803248313 /nfs/dbraw/zinc/24/83/13/803248313.db2.gz NNPKIZKSRLNKKF-LKFCYVNXSA-N 2 2 276.340 0.323 20 0 CCADLP COc1ccc2n[nH]c(C[N@H+]3C[C@@H](O)[C@@H](C[NH3+])C3)c2c1 ZINC001206469056 803248315 /nfs/dbraw/zinc/24/83/15/803248315.db2.gz NNPKIZKSRLNKKF-LKFCYVNXSA-N 2 2 276.340 0.323 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2scc3c2OCCO3)C[C@H]1O ZINC001206476944 803250790 /nfs/dbraw/zinc/25/07/90/803250790.db2.gz YRRQEBUBVVBCOO-DTWKUNHWSA-N 2 2 270.354 0.271 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2scc3c2OCCO3)C[C@H]1O ZINC001206476944 803250795 /nfs/dbraw/zinc/25/07/95/803250795.db2.gz YRRQEBUBVVBCOO-DTWKUNHWSA-N 2 2 270.354 0.271 20 0 CCADLP COc1cncc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1C ZINC001206481708 803251987 /nfs/dbraw/zinc/25/19/87/803251987.db2.gz ZJAZHJQLASFDQY-CMPLNLGQSA-N 2 2 251.330 0.150 20 0 CCADLP COc1cncc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1C ZINC001206481708 803251990 /nfs/dbraw/zinc/25/19/90/803251990.db2.gz ZJAZHJQLASFDQY-CMPLNLGQSA-N 2 2 251.330 0.150 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2ccnn2-c2ccccc2)C[C@@H]1O ZINC001206525664 803260557 /nfs/dbraw/zinc/26/05/57/803260557.db2.gz YAWLGXVTMBPGDA-WFASDCNBSA-N 2 2 272.352 0.624 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccnn2-c2ccccc2)C[C@@H]1O ZINC001206525664 803260560 /nfs/dbraw/zinc/26/05/60/803260560.db2.gz YAWLGXVTMBPGDA-WFASDCNBSA-N 2 2 272.352 0.624 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C[NH2+]CCO)CC1 ZINC001206898129 803302893 /nfs/dbraw/zinc/30/28/93/803302893.db2.gz DFDVBNCGCUDDNE-UHFFFAOYSA-N 2 2 280.372 0.081 20 0 CCADLP CO[C@@H](C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206921385 803307994 /nfs/dbraw/zinc/30/79/94/803307994.db2.gz NOJDPOVMVKRXSV-FRRDWIJNSA-N 2 2 294.399 0.814 20 0 CCADLP CO[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001206921385 803308000 /nfs/dbraw/zinc/30/80/00/803308000.db2.gz NOJDPOVMVKRXSV-FRRDWIJNSA-N 2 2 294.399 0.814 20 0 CCADLP Cc1cnc(C[N@H+](C)CCN2CC[NH+](C)CC2)cn1 ZINC001207078574 803349429 /nfs/dbraw/zinc/34/94/29/803349429.db2.gz LAICMYZLKUMTRV-UHFFFAOYSA-N 2 2 263.389 0.464 20 0 CCADLP Cc1cnc(C[N@@H+](C)CCN2CC[NH+](C)CC2)cn1 ZINC001207078574 803349436 /nfs/dbraw/zinc/34/94/36/803349436.db2.gz LAICMYZLKUMTRV-UHFFFAOYSA-N 2 2 263.389 0.464 20 0 CCADLP CC(C)(CN1CC[NH+](CCCO)CC1)[NH+]1CCOCC1 ZINC001207296997 803379454 /nfs/dbraw/zinc/37/94/54/803379454.db2.gz KNQSXILNCZOLJQ-UHFFFAOYSA-N 2 2 285.432 0.097 20 0 CCADLP CC[N@@H+]1CCO[C@@H]2C[NH+](C[C@H]3CCCO3)C[C@@H]2C1 ZINC001207852812 803457859 /nfs/dbraw/zinc/45/78/59/803457859.db2.gz QUUQCQLBTPZFSN-BFHYXJOUSA-N 2 2 254.374 0.818 20 0 CCADLP CC[N@H+]1CCO[C@@H]2C[NH+](C[C@H]3CCCO3)C[C@@H]2C1 ZINC001207852812 803457863 /nfs/dbraw/zinc/45/78/63/803457863.db2.gz QUUQCQLBTPZFSN-BFHYXJOUSA-N 2 2 254.374 0.818 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@H+](C[C@H]3CCCO3)C[C@@H]2C1 ZINC001207852812 803457866 /nfs/dbraw/zinc/45/78/66/803457866.db2.gz QUUQCQLBTPZFSN-BFHYXJOUSA-N 2 2 254.374 0.818 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@@H+](C[C@H]3CCCO3)C[C@@H]2C1 ZINC001207852812 803457869 /nfs/dbraw/zinc/45/78/69/803457869.db2.gz QUUQCQLBTPZFSN-BFHYXJOUSA-N 2 2 254.374 0.818 20 0 CCADLP C[NH+](C)CCN1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001208125408 803492068 /nfs/dbraw/zinc/49/20/68/803492068.db2.gz ISLDQFZRFURSTO-UHFFFAOYSA-N 2 2 275.356 0.839 20 0 CCADLP COCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001208365250 803509689 /nfs/dbraw/zinc/50/96/89/803509689.db2.gz MFZFUPYFEYXXMA-JHJVBQTASA-N 2 2 292.383 0.740 20 0 CCADLP COCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001208365250 803509691 /nfs/dbraw/zinc/50/96/91/803509691.db2.gz MFZFUPYFEYXXMA-JHJVBQTASA-N 2 2 292.383 0.740 20 0 CCADLP C[C@@H]1C[N@H+](Cc2ccon2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208438284 803514857 /nfs/dbraw/zinc/51/48/57/803514857.db2.gz NQYAHPHFXLBMEJ-TZMCWYRMSA-N 2 2 294.399 0.953 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2ccon2)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208438284 803514859 /nfs/dbraw/zinc/51/48/59/803514859.db2.gz NQYAHPHFXLBMEJ-TZMCWYRMSA-N 2 2 294.399 0.953 20 0 CCADLP Cc1conc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208495890 803518397 /nfs/dbraw/zinc/51/83/97/803518397.db2.gz BQYAFMBQRNDGNM-DGCLKSJQSA-N 2 2 294.399 0.871 20 0 CCADLP Cc1conc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208495890 803518398 /nfs/dbraw/zinc/51/83/98/803518398.db2.gz BQYAFMBQRNDGNM-DGCLKSJQSA-N 2 2 294.399 0.871 20 0 CCADLP CC(=O)N1CC[N@H+](C[C@@H]2CCC[NH+](C)C2)[C@@H](C)C1 ZINC001208615894 803530531 /nfs/dbraw/zinc/53/05/31/803530531.db2.gz JOAIEPYDTUGLGA-GXTWGEPZSA-N 2 2 253.390 0.881 20 0 CCADLP CC(=O)N1CC[N@@H+](C[C@@H]2CCC[NH+](C)C2)[C@@H](C)C1 ZINC001208615894 803530534 /nfs/dbraw/zinc/53/05/34/803530534.db2.gz JOAIEPYDTUGLGA-GXTWGEPZSA-N 2 2 253.390 0.881 20 0 CCADLP CC(=O)N1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)[C@@H](C)C1 ZINC001208615894 803530538 /nfs/dbraw/zinc/53/05/38/803530538.db2.gz JOAIEPYDTUGLGA-GXTWGEPZSA-N 2 2 253.390 0.881 20 0 CCADLP CC(=O)N1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)[C@@H](C)C1 ZINC001208615894 803530543 /nfs/dbraw/zinc/53/05/43/803530543.db2.gz JOAIEPYDTUGLGA-GXTWGEPZSA-N 2 2 253.390 0.881 20 0 CCADLP C[NH+]1CCN(C2C[NH+](CCCc3ccncc3)C2)CC1 ZINC001209189787 803577967 /nfs/dbraw/zinc/57/79/67/803577967.db2.gz VDBXOFWWTIAOAT-UHFFFAOYSA-N 2 2 274.412 0.946 20 0 CCADLP Cc1noc(C[NH2+][C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)n1 ZINC001209418427 803603113 /nfs/dbraw/zinc/60/31/13/803603113.db2.gz CJTYCCKTBCCEML-GFCCVEGCSA-N 2 2 295.387 0.410 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH2+]CCCO ZINC001214530843 803748393 /nfs/dbraw/zinc/74/83/93/803748393.db2.gz HEDXJDOKSWTYKY-VXGBXAGGSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@@H]1C[C@@H]1c1nnc(CNC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)o1 ZINC001217697164 803902581 /nfs/dbraw/zinc/90/25/81/803902581.db2.gz WJKQNAKQQSCAQB-JEZHCXPESA-N 2 2 290.327 0.102 20 0 CCADLP COC(=O)[C@H]1[NH2+]CC[C@H]1Oc1cccc(C[NH3+])c1 ZINC001218347247 803949040 /nfs/dbraw/zinc/94/90/40/803949040.db2.gz ROIAXAGSVPENEF-NEPJUHHUSA-N 2 2 250.298 0.428 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1nc2ccccc2s1 ZINC001218496186 803962796 /nfs/dbraw/zinc/96/27/96/803962796.db2.gz JUDGTPPYVXXEBU-ZETCQYMHSA-N 2 2 250.327 0.911 20 0 CCADLP O=C(Nc1cccc2[nH+]ccn21)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001218495945 803962857 /nfs/dbraw/zinc/96/28/57/803962857.db2.gz AYIRLJKUXQHLGB-HZMBPMFUSA-N 2 2 271.324 0.224 20 0 CCADLP NC(=O)NCCC[C@@H]([NH3+])C(=O)Nc1cccc2[nH+]ccn21 ZINC001218498602 803964994 /nfs/dbraw/zinc/96/49/94/803964994.db2.gz XABRXKDBQBETLA-SECBINFHSA-N 2 2 290.327 0.049 20 0 CCADLP [NH3+]C1(C(=O)Nc2n[nH]cc2Br)CC[NH2+]CC1 ZINC001218508458 803973847 /nfs/dbraw/zinc/97/38/47/803973847.db2.gz KDSJUZWRCPTUHQ-UHFFFAOYSA-N 2 2 288.149 0.192 20 0 CCADLP Cc1nc2sccc2c(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])n1 ZINC001218518912 803981686 /nfs/dbraw/zinc/98/16/86/803981686.db2.gz VJLQLWZOGJALQA-IUCAKERBSA-N 2 2 277.353 0.485 20 0 CCADLP CCOc1ncc(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)cc1F ZINC001218599506 804029142 /nfs/dbraw/zinc/02/91/42/804029142.db2.gz CKKRFJDRBQGYPW-GYSYKLTISA-N 2 2 294.330 0.780 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2c[nH]c(=O)c(C(F)(F)F)c2)C1 ZINC001218690116 804082083 /nfs/dbraw/zinc/08/20/83/804082083.db2.gz IIYMJOMVUIYNQK-XRGYYRRGSA-N 2 2 290.245 0.434 20 0 CCADLP COc1cnc(Cl)c(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)n1 ZINC001218719717 804095387 /nfs/dbraw/zinc/09/53/87/804095387.db2.gz CXOFJIVPBIAWHX-QHMRUWFYSA-N 2 2 297.746 0.299 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1scnc1C1CC1 ZINC001218805870 804125778 /nfs/dbraw/zinc/12/57/78/804125778.db2.gz BKVWGGWCPVJDPX-YUMQZZPRSA-N 2 2 252.343 0.506 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1cc(Br)ccc1O ZINC001218835779 804136961 /nfs/dbraw/zinc/13/69/61/804136961.db2.gz QJIZIKWRQDXIMB-ZETCQYMHSA-N 2 2 288.145 0.769 20 0 CCADLP Cc1ccc(NC(=O)C2([NH3+])CC[NH2+]CC2)c2n[nH]cc21 ZINC001218830988 804137240 /nfs/dbraw/zinc/13/72/40/804137240.db2.gz ZGONDVSVBJMXBB-UHFFFAOYSA-N 2 2 273.340 0.891 20 0 CCADLP [NH3+]C1(C(=O)Nc2ccc3c(c2)OCC(=O)N3)CC[NH2+]CC1 ZINC001218851910 804139411 /nfs/dbraw/zinc/13/94/11/804139411.db2.gz XYWWRONOMNRMEL-UHFFFAOYSA-N 2 2 290.323 0.037 20 0 CCADLP CN(C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)c1ccccc1N ZINC001218883289 804146428 /nfs/dbraw/zinc/14/64/28/804146428.db2.gz NKIUSLSTPQCDPX-NSHDSACASA-N 2 2 259.313 0.525 20 0 CCADLP [NH3+]C1(C(=O)Nc2ccccc2-n2cncn2)CC[NH2+]CC1 ZINC001219007026 804181911 /nfs/dbraw/zinc/18/19/11/804181911.db2.gz DIVBGAWRSRXWFV-UHFFFAOYSA-N 2 2 286.339 0.287 20 0 CCADLP COc1ccc(N)c(NC(=O)[C@@H]([NH3+])Cc2c[nH+]cn2C)c1 ZINC001219142948 804215169 /nfs/dbraw/zinc/21/51/69/804215169.db2.gz ZOSQFMOHRFGERI-LBPRGKRZSA-N 2 2 289.339 0.519 20 0 CCADLP COc1cc2[nH]ccc2c(NC(=O)[C@@H]([NH3+])CC[NH3+])c1 ZINC001219361197 804286513 /nfs/dbraw/zinc/28/65/13/804286513.db2.gz ZZWCDQGFCDSDLW-JTQLQIEISA-N 2 2 262.313 0.791 20 0 CCADLP [NH3+]C1(C(=O)Nc2ccc3oc(=O)ccc3c2)CC[NH2+]CC1 ZINC001219390696 804295603 /nfs/dbraw/zinc/29/56/03/804295603.db2.gz CXQAEQGDBYTCGK-UHFFFAOYSA-N 2 2 287.319 0.812 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc(Cl)cc2ncoc21 ZINC001219412804 804302460 /nfs/dbraw/zinc/30/24/60/804302460.db2.gz SSNXWJBOIIWEHS-YUMQZZPRSA-N 2 2 280.715 0.966 20 0 CCADLP COC(Cc1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])cc1)OC ZINC001219443838 804318062 /nfs/dbraw/zinc/31/80/62/804318062.db2.gz AHUSVTDWXKLLEU-STQMWFEESA-N 2 2 293.367 0.333 20 0 CCADLP Cc1ncc(CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)s1 ZINC001219595782 804366070 /nfs/dbraw/zinc/36/60/70/804366070.db2.gz PEEBOFBOQUUKTJ-INTQDDNPSA-N 2 2 266.370 0.018 20 0 CCADLP C[C@H](NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)c1ccncc1 ZINC001219600251 804368165 /nfs/dbraw/zinc/36/81/65/804368165.db2.gz MVCGZGRSXRMMDP-XYJRDEOASA-N 2 2 260.341 0.209 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H](O)c2ccco2)cc1 ZINC001219603645 804370550 /nfs/dbraw/zinc/37/05/50/804370550.db2.gz BLLAOBCINPOVTJ-OLZOCXBDSA-N 2 2 289.335 0.702 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)[C@H]2CC[NH2+]C[C@@H]2F)c1 ZINC001219633732 804382423 /nfs/dbraw/zinc/38/24/23/804382423.db2.gz CXHIZTXABQUUTK-QWRGUYRKSA-N 2 2 254.309 0.026 20 0 CCADLP C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001219642604 804388780 /nfs/dbraw/zinc/38/87/80/804388780.db2.gz VQDRUPPJOUARAQ-AVGNSLFASA-N 2 2 276.384 0.807 20 0 CCADLP C[C@H]1C[NH2+]C[C@@H](CNC(=O)CCc2ccc(N)[nH+]c2)C1 ZINC001219650340 804392019 /nfs/dbraw/zinc/39/20/19/804392019.db2.gz OCCAHGGOINGCMG-YPMHNXCESA-N 2 2 276.384 0.958 20 0 CCADLP [NH3+][C@H](C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)c1ccccc1 ZINC001219765022 804417325 /nfs/dbraw/zinc/41/73/25/804417325.db2.gz SBLDUILCNOYLQF-SNPRPXQTSA-N 2 2 288.395 0.096 20 0 CCADLP [NH3+][C@H](C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1)c1ccccc1 ZINC001219765022 804417333 /nfs/dbraw/zinc/41/73/33/804417333.db2.gz SBLDUILCNOYLQF-SNPRPXQTSA-N 2 2 288.395 0.096 20 0 CCADLP [NH3+][C@H](C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1)c1ccccc1 ZINC001219765022 804417338 /nfs/dbraw/zinc/41/73/38/804417338.db2.gz SBLDUILCNOYLQF-SNPRPXQTSA-N 2 2 288.395 0.096 20 0 CCADLP [NH3+]C1(C(=O)NCc2ccc(OC(F)F)cc2)CC[NH2+]CC1 ZINC001219916311 804446272 /nfs/dbraw/zinc/44/62/72/804446272.db2.gz QWCBKQIWFKIHCC-UHFFFAOYSA-N 2 2 299.321 0.985 20 0 CCADLP O=C(NCCC[NH2+]C1CCCCC1)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001219952049 804456259 /nfs/dbraw/zinc/45/62/59/804456259.db2.gz MNSYKQGTMMESFS-XJKSGUPXSA-N 3 2 294.443 0.367 20 0 CCADLP Cc1c[nH]c(CCNC(=O)[C@H]([NH3+])Cc2cccc(O)c2)[nH+]1 ZINC001219952324 804456685 /nfs/dbraw/zinc/45/66/85/804456685.db2.gz SLSKRJFWPXMFJO-CYBMUJFWSA-N 2 2 288.351 0.652 20 0 CCADLP CNc1ccc(CNC(=O)[C@@H]2C[C@H]3C[NH2+]C[C@H]3[NH2+]2)cc1 ZINC001219954961 804457999 /nfs/dbraw/zinc/45/79/99/804457999.db2.gz ZPIDBVDEQHGLFW-FPMFFAJLSA-N 2 2 274.368 0.294 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CCCCO2)cc1 ZINC001219978015 804463319 /nfs/dbraw/zinc/46/33/19/804463319.db2.gz ABVNMULMWIBEII-KBPBESRZSA-N 2 2 277.368 0.944 20 0 CCADLP N=C(NC(=O)c1ccc([C@H]([NH3+])C[NH3+])cc1)SCC[NH3+] ZINC001220106636 804500574 /nfs/dbraw/zinc/50/05/74/804500574.db2.gz VVVYKNQVZVYRQH-SNVBAGLBSA-N 3 2 281.385 0.002 20 0 CCADLP O=C(C=C1CC[NH2+]CC1)NC[C@H]1CC[NH2+]CC1(F)F ZINC001220188355 804532763 /nfs/dbraw/zinc/53/27/63/804532763.db2.gz ARVLJVJQWOXUGS-LLVKDONJSA-N 2 2 273.327 0.657 20 0 CCADLP CCCCC(=O)[C@H](C)NC(=O)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220371102 804583896 /nfs/dbraw/zinc/58/38/96/804583896.db2.gz OQANFYJMQCWNKD-MISXGVKJSA-N 2 2 267.373 0.202 20 0 CCADLP CC(C)C[N@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001220520666 804618987 /nfs/dbraw/zinc/61/89/87/804618987.db2.gz ZUDLGTYKMUGTEB-BNOWGMLFSA-N 2 2 294.399 0.406 20 0 CCADLP CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001220520666 804618992 /nfs/dbraw/zinc/61/89/92/804618992.db2.gz ZUDLGTYKMUGTEB-BNOWGMLFSA-N 2 2 294.399 0.406 20 0 CCADLP CC(C)C[N@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001220520666 804618997 /nfs/dbraw/zinc/61/89/97/804618997.db2.gz ZUDLGTYKMUGTEB-BNOWGMLFSA-N 2 2 294.399 0.406 20 0 CCADLP CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001220520666 804619001 /nfs/dbraw/zinc/61/90/01/804619001.db2.gz ZUDLGTYKMUGTEB-BNOWGMLFSA-N 2 2 294.399 0.406 20 0 CCADLP C[C@@H]1COCC[C@@H]1NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220566151 804625399 /nfs/dbraw/zinc/62/53/99/804625399.db2.gz ZYWUUOCKQVETIW-SWHYSGLUSA-N 2 2 277.368 0.800 20 0 CCADLP O=C(NCCc1ccc2[nH]ccc2c1)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220591009 804633050 /nfs/dbraw/zinc/63/30/50/804633050.db2.gz SZGWLPHOEXSDMX-PBHICJAKSA-N 2 2 298.390 0.778 20 0 CCADLP Cn1nc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)c2ccccc21 ZINC001220632090 804639383 /nfs/dbraw/zinc/63/93/83/804639383.db2.gz KLMWGFSDXNKKCS-MEDUHNTESA-N 2 2 299.378 0.141 20 0 CCADLP COc1cc(F)cc(CNC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)c1 ZINC001220666060 804645410 /nfs/dbraw/zinc/64/54/10/804645410.db2.gz QMJHHGLSJVMOOV-ABAIWWIYSA-N 2 2 293.342 0.402 20 0 CCADLP C[C@](CO)(NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)c1ccccc1 ZINC001220711282 804653434 /nfs/dbraw/zinc/65/34/34/804653434.db2.gz NHDAVDRMUXHGBD-UKRRQHHQSA-N 2 2 288.351 0.303 20 0 CCADLP COC1CCC(CCNC(=O)[C@]23C[NH2+]C[C@@H]2CC[NH2+]3)CC1 ZINC001220754654 804660795 /nfs/dbraw/zinc/66/07/95/804660795.db2.gz KFFYESMZYPDILF-HTHKGWQXSA-N 2 2 295.427 0.649 20 0 CCADLP C[C@H](CNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)CC(C)(C)CC[NH3+] ZINC001220763934 804662232 /nfs/dbraw/zinc/66/22/32/804662232.db2.gz SXWUCFXPGNUQEX-VLXAULBPSA-N 3 2 296.459 0.726 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(O)cc1F ZINC001220822240 804674531 /nfs/dbraw/zinc/67/45/31/804674531.db2.gz ZAXMCYCBDKKFSC-LBPRGKRZSA-N 2 2 278.287 0.441 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CCCc2nccnc21 ZINC001220948898 804704533 /nfs/dbraw/zinc/70/45/33/804704533.db2.gz JNIZWZOBWQDTLV-JQWIXIFHSA-N 2 2 286.339 0.263 20 0 CCADLP Cc1cc2c(cn1)[C@H](NC(=O)[C@]13C[NH2+]C[C@@H]1CC[NH2+]3)CC2 ZINC001220960482 804708698 /nfs/dbraw/zinc/70/86/98/804708698.db2.gz PUHPWLTZCBMDDK-BJJXKVORSA-N 2 2 286.379 0.445 20 0 CCADLP N[C@]1(C(=O)NCc2c[nH+]cn2C2CCC2)CCC[NH2+]C1 ZINC001221023318 804721851 /nfs/dbraw/zinc/72/18/51/804721851.db2.gz IACVVRGUGXJDOS-CQSZACIVSA-N 2 2 277.372 0.305 20 0 CCADLP [NH3+]CCN(C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)c1ccc(F)cc1 ZINC001221060474 804724571 /nfs/dbraw/zinc/72/45/71/804724571.db2.gz BIDCRBJHPMLXKM-ZDUSSCGKSA-N 3 2 291.330 0.411 20 0 CCADLP COc1cccnc1C(C)(C)CNC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001221170555 804738876 /nfs/dbraw/zinc/73/88/76/804738876.db2.gz MSWOOQJQLKFPRI-MNOVXSKESA-N 2 2 292.383 0.173 20 0 CCADLP COc1cccnc1[C@@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C1CC1 ZINC001221214342 804747804 /nfs/dbraw/zinc/74/78/04/804747804.db2.gz BONQACMAIUYMTF-MDZLAQPJSA-N 2 2 290.367 0.347 20 0 CCADLP [NH3+]C1(C(=O)N[C@@H](c2ncccc2F)C2CC2)CC[NH2+]CC1 ZINC001221219407 804750053 /nfs/dbraw/zinc/75/00/53/804750053.db2.gz WCMIPSVLCDJCEU-GFCCVEGCSA-N 2 2 292.358 0.869 20 0 CCADLP [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001221331133 804778930 /nfs/dbraw/zinc/77/89/30/804778930.db2.gz CHGADDIDVAYHQF-GJZGRUSLSA-N 3 2 299.378 0.192 20 0 CCADLP O=C(C=C1CC[NH2+]CC1)NCCOc1cc[nH+]cc1 ZINC001221393919 804799119 /nfs/dbraw/zinc/79/91/19/804799119.db2.gz ROTLJKJAIMZEPJ-UHFFFAOYSA-N 2 2 261.325 0.886 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H]1CCc2c1cccc2O ZINC001221395297 804801693 /nfs/dbraw/zinc/80/16/93/804801693.db2.gz RCLHPHPJJTYANQ-SRVKXCTJSA-N 2 2 261.325 0.042 20 0 CCADLP C[C@@]1(NC(=O)c2ccc([C@@H]([NH3+])C[NH3+])cc2)CCCOC1 ZINC001221403459 804805335 /nfs/dbraw/zinc/80/53/35/804805335.db2.gz SUVQVUAQRCXHET-DZGCQCFKSA-N 2 2 277.368 0.944 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](NC(=O)C2([NH3+])CC[NH2+]CC2)[C@H](C)C1 ZINC001221405568 804805677 /nfs/dbraw/zinc/80/56/77/804805677.db2.gz BBVZIOIXTQACRT-OLZOCXBDSA-N 3 2 282.432 0.302 20 0 CCADLP CC(C)[N@H+]1CC[C@H](NC(=O)C2([NH3+])CC[NH2+]CC2)[C@H](C)C1 ZINC001221405568 804805683 /nfs/dbraw/zinc/80/56/83/804805683.db2.gz BBVZIOIXTQACRT-OLZOCXBDSA-N 3 2 282.432 0.302 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)[C@H](C)C1 ZINC001221409493 804811361 /nfs/dbraw/zinc/81/13/61/804811361.db2.gz UPJDBHJRXZPCHQ-NYTXWWLZSA-N 3 2 294.443 0.173 20 0 CCADLP CC(C)[N@H+]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2CC[NH2+]3)[C@H](C)C1 ZINC001221409493 804811366 /nfs/dbraw/zinc/81/13/66/804811366.db2.gz UPJDBHJRXZPCHQ-NYTXWWLZSA-N 3 2 294.443 0.173 20 0 CCADLP C[C@@H](O)CCC[NH2+][C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001222098949 804867314 /nfs/dbraw/zinc/86/73/14/804867314.db2.gz QEDUAZLKSMRFEQ-ZIAGYGMSSA-N 2 2 294.399 0.625 20 0 CCADLP COc1ccc(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1N ZINC001222502846 804907562 /nfs/dbraw/zinc/90/75/62/804907562.db2.gz UQDDWIQHBYRJDS-GJZGRUSLSA-N 2 2 290.411 0.803 20 0 CCADLP COc1ccc(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)cc1N ZINC001222502846 804907567 /nfs/dbraw/zinc/90/75/67/804907567.db2.gz UQDDWIQHBYRJDS-GJZGRUSLSA-N 2 2 290.411 0.803 20 0 CCADLP COC(=O)c1cc(C[NH+]2CCC(F)(C[NH3+])CC2)nn1C ZINC001222552456 804916135 /nfs/dbraw/zinc/91/61/35/804916135.db2.gz DBHBFWLPXGIDCW-UHFFFAOYSA-N 2 2 284.335 0.470 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC1CC[NH+](CCCO)CC1 ZINC001223981991 804999021 /nfs/dbraw/zinc/99/90/21/804999021.db2.gz XUDKLPGCFLEOEH-UHFFFAOYSA-N 2 2 294.399 0.484 20 0 CCADLP c1cn(CC[N@H+]2C[C@H]3C[C@@H](C2)N3c2cncnc2)c[nH+]1 ZINC001276974812 805041252 /nfs/dbraw/zinc/04/12/52/805041252.db2.gz MWYTYRRULPMZCQ-BETUJISGSA-N 2 2 270.340 0.636 20 0 CCADLP c1cn(CC[N@@H+]2C[C@H]3C[C@@H](C2)N3c2cncnc2)c[nH+]1 ZINC001276974812 805041261 /nfs/dbraw/zinc/04/12/61/805041261.db2.gz MWYTYRRULPMZCQ-BETUJISGSA-N 2 2 270.340 0.636 20 0 CCADLP Cc1cccc(N2C[C@@H]3COC[C@H](C2)N3CC[NH+](C)C)[nH+]1 ZINC001276981178 805056698 /nfs/dbraw/zinc/05/66/98/805056698.db2.gz RESNHWOIJJEOSV-GASCZTMLSA-N 2 2 290.411 0.841 20 0 CCADLP COCCC[NH+]1CCC(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001224957339 805096144 /nfs/dbraw/zinc/09/61/44/805096144.db2.gz GIQDZOPXFRYNFG-UHFFFAOYSA-N 2 2 294.399 0.817 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NCC1CC[NH+](CCO)CC1 ZINC001225653036 805147566 /nfs/dbraw/zinc/14/75/66/805147566.db2.gz PROXLFWKKMJHBI-UHFFFAOYSA-N 2 2 294.399 0.484 20 0 CCADLP COc1cncnc1NCC[NH+]1CCC([NH3+])CC1 ZINC000322280454 805190678 /nfs/dbraw/zinc/19/06/78/805190678.db2.gz YJMWBJGZGWNONC-UHFFFAOYSA-N 2 2 251.334 0.320 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC001088687660 815057513 /nfs/dbraw/zinc/05/75/13/815057513.db2.gz LOQUIGMMLILZSN-PWSUYJOCSA-N 2 2 280.372 0.949 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC001088687660 815057520 /nfs/dbraw/zinc/05/75/20/815057520.db2.gz LOQUIGMMLILZSN-PWSUYJOCSA-N 2 2 280.372 0.949 20 0 CCADLP C[C@H](O)C[NH+]1CCC(NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001227715244 805383804 /nfs/dbraw/zinc/38/38/04/805383804.db2.gz SRFCDVMOJFVBDF-NSHDSACASA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H](O)C[NH+]1CCC(NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001227715244 805383807 /nfs/dbraw/zinc/38/38/07/805383807.db2.gz SRFCDVMOJFVBDF-NSHDSACASA-N 2 2 280.372 0.304 20 0 CCADLP CCOCC[NH+]1CCC(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001229364492 805524963 /nfs/dbraw/zinc/52/49/63/805524963.db2.gz YPSCHVWIVSDCSJ-UHFFFAOYSA-N 2 2 280.372 0.569 20 0 CCADLP [NH3+]Cc1cc(-c2ccc(C[NH+]3CC(O)C3)cc2)ncn1 ZINC001243636250 807040213 /nfs/dbraw/zinc/04/02/13/807040213.db2.gz CJKGRFRIPRLFLA-UHFFFAOYSA-N 2 2 270.336 0.779 20 0 CCADLP OCCc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC001245985215 807106828 /nfs/dbraw/zinc/10/68/28/807106828.db2.gz ZZWVWACFBCLEFW-HUUCEWRRSA-N 2 2 294.395 0.303 20 0 CCADLP CC1(C[NH3+])C[NH+](C[C@H](O)COCc2ccco2)C1 ZINC001246031011 807127555 /nfs/dbraw/zinc/12/75/55/807127555.db2.gz GVWCYFNRMYFDTC-NSHDSACASA-N 2 2 254.330 0.438 20 0 CCADLP O[C@]1(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)CCC[NH2+]C1 ZINC001246059693 807137153 /nfs/dbraw/zinc/13/71/53/807137153.db2.gz LVASUMMWZNOZLF-MELADBBJSA-N 3 2 253.390 0.175 20 0 CCADLP O[C@]1(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)CCC[NH2+]C1 ZINC001246059693 807137156 /nfs/dbraw/zinc/13/71/56/807137156.db2.gz LVASUMMWZNOZLF-MELADBBJSA-N 3 2 253.390 0.175 20 0 CCADLP F[C@@H]1C[NH2+]CC[C@H]1[NH2+]C1CCC([NH+]2CCOCC2)CC1 ZINC001246088688 807149570 /nfs/dbraw/zinc/14/95/70/807149570.db2.gz WSYSPPAQCNEHIB-NEXFUWMNSA-N 3 2 285.407 0.919 20 0 CCADLP CC[C@@]1(C(=O)OC)C[C@@H](N[C@@H]2CCCC[C@@H]2[NH3+])C[NH2+]1 ZINC001246101906 807153821 /nfs/dbraw/zinc/15/38/21/807153821.db2.gz MVRJHMZABYBHGL-CZXHOFHRSA-N 2 2 269.389 0.530 20 0 CCADLP C[C@H]1CC[C@H]([NH2+]C[C@H]2C[C@H]3C[NH2+]CCN3C2)C[NH2+]1 ZINC001246125949 807160280 /nfs/dbraw/zinc/16/02/80/807160280.db2.gz FNRQHYFLSQSNAJ-CRWXNKLISA-N 3 2 252.406 0.010 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+]C2CCN(C3CC[NH2+]CC3)CC2)C[NH2+]1 ZINC001246136757 807162755 /nfs/dbraw/zinc/16/27/55/807162755.db2.gz DVTQLZAZMNRHCJ-HIFRSBDPSA-N 3 2 280.460 0.933 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N[C@@]23CCC[C@@H]2[NH2+]CC3)C[NH2+]1 ZINC001246138322 807163795 /nfs/dbraw/zinc/16/37/95/807163795.db2.gz YJWSBBHDPRTTQQ-LMOYCYGVSA-N 2 2 295.427 0.933 20 0 CCADLP C[NH2+]C1CCC([NH2+]C[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CC1 ZINC001246146840 807167130 /nfs/dbraw/zinc/16/71/30/807167130.db2.gz OFUPHOVMHCJKMJ-YMAMQOFZSA-N 4 2 280.460 0.981 20 0 CCADLP COC(=O)[C@@H]1C[C@H](Nc2ccc(CC[NH3+])cc2)C[NH2+]1 ZINC001246163120 807172149 /nfs/dbraw/zinc/17/21/49/807172149.db2.gz VTCBAFIWBGRMIM-STQMWFEESA-N 2 2 263.341 0.503 20 0 CCADLP CCCC[N@H+](CC)CC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246159759 807172344 /nfs/dbraw/zinc/17/23/44/807172344.db2.gz CCMOATJQDYGGML-CQSZACIVSA-N 3 2 268.449 0.792 20 0 CCADLP CCCC[N@@H+](CC)CC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246159759 807172347 /nfs/dbraw/zinc/17/23/47/807172347.db2.gz CCMOATJQDYGGML-CQSZACIVSA-N 3 2 268.449 0.792 20 0 CCADLP C[C@H]1CC[C@H]([NH2+]CCNC(=O)c2ccncc2)C[NH2+]1 ZINC001246169552 807174119 /nfs/dbraw/zinc/17/41/19/807174119.db2.gz JIHUIYRDNVAXIQ-AAEUAGOBSA-N 2 2 262.357 0.542 20 0 CCADLP CN(C)C1(C[NH2+][C@H]2CCC[NH2+]C2)CC[NH+](C)CC1 ZINC001246182322 807179115 /nfs/dbraw/zinc/17/91/15/807179115.db2.gz ZMIJJFQGJTXGCW-ZDUSSCGKSA-N 3 2 254.422 0.354 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N[C@@]2(C)CCC[NH2+]C2)C[NH2+]1 ZINC001246190650 807182066 /nfs/dbraw/zinc/18/20/66/807182066.db2.gz QXXJRAPKLOJNLP-XUJVJEKNSA-N 2 2 283.416 0.790 20 0 CCADLP CC[NH2+]CCN[C@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246275139 807203832 /nfs/dbraw/zinc/20/38/32/807203832.db2.gz PMMUUCCBSJFABX-MNOVXSKESA-N 2 2 257.378 0.258 20 0 CCADLP OC[C@H]1C[NH2+]C[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001246296822 807212729 /nfs/dbraw/zinc/21/27/29/807212729.db2.gz CTRCVTHDEIBUSA-DOMZBBRYSA-N 3 2 276.384 0.220 20 0 CCADLP C[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1C[NH2+]C[C@@H]1CO ZINC001246309490 807217353 /nfs/dbraw/zinc/21/73/53/807217353.db2.gz RDKARHUNVDNELJ-MPKXVKKWSA-N 2 2 252.333 0.927 20 0 CCADLP CN(C)C(=O)N1CCC[C@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC001246325597 807222027 /nfs/dbraw/zinc/22/20/27/807222027.db2.gz CBXKDIRFHSWVGM-RYUDHWBXSA-N 2 2 254.378 0.474 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C[NH3+])C(C)(C)C)CN1 ZINC001246344352 807227533 /nfs/dbraw/zinc/22/75/33/807227533.db2.gz JALZOVYIAQMONF-SRVKXCTJSA-N 2 2 271.405 0.633 20 0 CCADLP COC(=O)[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246450518 807252894 /nfs/dbraw/zinc/25/28/94/807252894.db2.gz XAJPGBHFWXXTNR-KXNHARMFSA-N 2 2 256.346 0.295 20 0 CCADLP NC(=O)c1cncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001246454883 807254197 /nfs/dbraw/zinc/25/41/97/807254197.db2.gz UYRDGNZRWLUMEY-FUNVUKJBSA-N 2 2 260.341 0.553 20 0 CCADLP COC(=O)[C@H](CCc1cn(C)c[nH+]1)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246470641 807259591 /nfs/dbraw/zinc/25/95/91/807259591.db2.gz QPDQXPJIXGYION-OBJOEFQTSA-N 2 2 294.399 0.624 20 0 CCADLP c1cc(OCC[NH2+][C@H]2CCNC3(C[NH2+]C3)C2)cc[nH+]1 ZINC001246504823 807267512 /nfs/dbraw/zinc/26/75/12/807267512.db2.gz TWUOUKUGNLXIEB-LBPRGKRZSA-N 3 2 262.357 0.144 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C[NH3+])CC(C)C)CN1 ZINC001246503285 807267814 /nfs/dbraw/zinc/26/78/14/807267814.db2.gz KDJDZLMBZCQWCC-AVGNSLFASA-N 2 2 271.405 0.633 20 0 CCADLP CCOC(=O)[C@H]1CC[C@@H]([N@H+]2[C@@H](C)CC[C@H]2C[NH3+])CO1 ZINC001246540068 807277327 /nfs/dbraw/zinc/27/73/27/807277327.db2.gz FDJRLLFBRACPIW-WUHRBBMRSA-N 2 2 270.373 0.909 20 0 CCADLP C[C@@H]1CC[N@@H+]([C@@H]2CN[C@H](C(=O)OC(C)(C)C)C2)C[C@H]1C[NH3+] ZINC001246552978 807284716 /nfs/dbraw/zinc/28/47/16/807284716.db2.gz QZCUZMKZTJUMGF-MQYQWHSLSA-N 2 2 297.443 0.975 20 0 CCADLP C[C@@H]1CC[N@H+]([C@@H]2CN[C@H](C(=O)OC(C)(C)C)C2)C[C@H]1C[NH3+] ZINC001246552978 807284719 /nfs/dbraw/zinc/28/47/19/807284719.db2.gz QZCUZMKZTJUMGF-MQYQWHSLSA-N 2 2 297.443 0.975 20 0 CCADLP C[C@@H]1C[C@H]([N@@H+]2C[C@](O)(C(F)(F)F)C[C@H]2CO)CC[NH2+]1 ZINC001246568753 807294073 /nfs/dbraw/zinc/29/40/73/807294073.db2.gz AYFRPPSEKFNHBJ-ZNSHCXBVSA-N 2 2 282.306 0.487 20 0 CCADLP C[C@@H]1C[C@H]([N@H+]2C[C@](O)(C(F)(F)F)C[C@H]2CO)CC[NH2+]1 ZINC001246568753 807294078 /nfs/dbraw/zinc/29/40/78/807294078.db2.gz AYFRPPSEKFNHBJ-ZNSHCXBVSA-N 2 2 282.306 0.487 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[NH2+]C[C@@H](C)C2)CN1 ZINC001246570564 807296102 /nfs/dbraw/zinc/29/61/02/807296102.db2.gz JPUPBWPQGUZBEX-AGIUHOORSA-N 2 2 269.389 0.211 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CC[NH2+]C[C@@H](C)C2)CN1 ZINC001246570564 807296110 /nfs/dbraw/zinc/29/61/10/807296110.db2.gz JPUPBWPQGUZBEX-AGIUHOORSA-N 2 2 269.389 0.211 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+]([C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C[C@H]1O ZINC001246579768 807299370 /nfs/dbraw/zinc/29/93/70/807299370.db2.gz GVISXHURFQWGEZ-CAOSSQGBSA-N 3 2 275.396 0.731 20 0 CCADLP [NH3+]C[C@H]1C[N@H+]([C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C[C@H]1O ZINC001246579768 807299375 /nfs/dbraw/zinc/29/93/75/807299375.db2.gz GVISXHURFQWGEZ-CAOSSQGBSA-N 3 2 275.396 0.731 20 0 CCADLP [NH3+]C[C@]1(F)CCCC[N@@H+]([C@@H]2CCOC3(C[NH2+]C3)C2)C1 ZINC001246581471 807302533 /nfs/dbraw/zinc/30/25/33/807302533.db2.gz PXCNKXYMNQQCHJ-CHWSQXEVSA-N 3 2 271.380 0.660 20 0 CCADLP [NH3+]C[C@]1(F)CCCC[N@H+]([C@@H]2CCOC3(C[NH2+]C3)C2)C1 ZINC001246581471 807302542 /nfs/dbraw/zinc/30/25/42/807302542.db2.gz PXCNKXYMNQQCHJ-CHWSQXEVSA-N 3 2 271.380 0.660 20 0 CCADLP CCCC[C@H]1C[C@@H]([N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246587965 807308546 /nfs/dbraw/zinc/30/85/46/807308546.db2.gz XCQZESRYACZONF-XUXIUFHCSA-N 3 2 255.406 0.549 20 0 CCADLP CCCC[C@H]1C[C@@H]([N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)CC[NH2+]1 ZINC001246587965 807308554 /nfs/dbraw/zinc/30/85/54/807308554.db2.gz XCQZESRYACZONF-XUXIUFHCSA-N 3 2 255.406 0.549 20 0 CCADLP C[C@H]1CC[C@H]([N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)C[NH2+]1 ZINC001246630688 807334928 /nfs/dbraw/zinc/33/49/28/807334928.db2.gz KQSKAGMXBGUEEC-RFQIPJPRSA-N 3 2 253.390 0.437 20 0 CCADLP C[C@H]1CC[C@H]([N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)C[NH2+]1 ZINC001246630688 807334937 /nfs/dbraw/zinc/33/49/37/807334937.db2.gz KQSKAGMXBGUEEC-RFQIPJPRSA-N 3 2 253.390 0.437 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N2CC[NH+](CC(C)C)CC2)C[NH2+]1 ZINC001246694208 807355542 /nfs/dbraw/zinc/35/55/42/807355542.db2.gz MDXDJAPDDRYUFN-OLZOCXBDSA-N 2 2 269.389 0.164 20 0 CCADLP OCc1ncn2c1C[N@@H+]([C@@H]1CSC3(C[NH2+]C3)C1)CC2 ZINC001246714375 807363987 /nfs/dbraw/zinc/36/39/87/807363987.db2.gz LCMCFLUBYGAVCD-JTQLQIEISA-N 2 2 280.397 0.039 20 0 CCADLP OCc1ncn2c1C[N@H+]([C@@H]1CSC3(C[NH2+]C3)C1)CC2 ZINC001246714375 807363996 /nfs/dbraw/zinc/36/39/96/807363996.db2.gz LCMCFLUBYGAVCD-JTQLQIEISA-N 2 2 280.397 0.039 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N2CC[NH+](C3CCCC3)CC2)C[NH2+]1 ZINC001246779301 807377049 /nfs/dbraw/zinc/37/70/49/807377049.db2.gz RTGQCOSYWAQVFP-KGLIPLIRSA-N 2 2 281.400 0.450 20 0 CCADLP CCOC(=O)[C@]12C[N@@H+]([C@H](C)CC[NH2+]C)C[C@H]1C[NH2+]CC2 ZINC001246854302 807408179 /nfs/dbraw/zinc/40/81/79/807408179.db2.gz CJDBBKHOJYKLDC-UMVBOHGHSA-N 3 2 283.416 0.459 20 0 CCADLP CCOC(=O)[C@]12C[N@H+]([C@H](C)CC[NH2+]C)C[C@H]1C[NH2+]CC2 ZINC001246854302 807408180 /nfs/dbraw/zinc/40/81/80/807408180.db2.gz CJDBBKHOJYKLDC-UMVBOHGHSA-N 3 2 283.416 0.459 20 0 CCADLP CCOC(=O)C1(N)CC[NH+]([C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246870144 807416623 /nfs/dbraw/zinc/41/66/23/807416623.db2.gz UTHJRMTZRSDYMQ-NEPJUHHUSA-N 2 2 269.389 0.483 20 0 CCADLP C[C@H]1C[C@@H]([NH+]2CCN(c3ncc(O)cn3)CC2)CC[NH2+]1 ZINC001246911160 807425670 /nfs/dbraw/zinc/42/56/70/807425670.db2.gz BZMOLSCMNMKMMM-RYUDHWBXSA-N 2 2 277.372 0.445 20 0 CCADLP CCOC(=O)[C@H]1CC[C@@H]([N@H+](C)C[C@@H]([NH3+])CC)CO1 ZINC001246974769 807444768 /nfs/dbraw/zinc/44/47/68/807444768.db2.gz QVGSZONDQMFMKU-QJPTWQEYSA-N 2 2 258.362 0.766 20 0 CCADLP CCOC(=O)[C@H]1CC[C@@H]([N@@H+](C)C[C@@H]([NH3+])CC)CO1 ZINC001246974769 807444771 /nfs/dbraw/zinc/44/47/71/807444771.db2.gz QVGSZONDQMFMKU-QJPTWQEYSA-N 2 2 258.362 0.766 20 0 CCADLP Cc1nonc1C[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001248858314 807531122 /nfs/dbraw/zinc/53/11/22/807531122.db2.gz JLQBZGMQFCCMKV-UONOGXRCSA-N 2 2 279.388 0.588 20 0 CCADLP Cc1nonc1C[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001248858314 807531124 /nfs/dbraw/zinc/53/11/24/807531124.db2.gz JLQBZGMQFCCMKV-UONOGXRCSA-N 2 2 279.388 0.588 20 0 CCADLP CCN1CCc2ccc(-c3noc(C[C@@H]([NH3+])C[NH3+])n3)cc21 ZINC001249130174 807544535 /nfs/dbraw/zinc/54/45/35/807544535.db2.gz WHJQJKAYEGRYND-GFCCVEGCSA-N 2 2 287.367 0.948 20 0 CCADLP COc1ccc(-c2noc(C[C@@H]([NH3+])C[NH3+])n2)cc1F ZINC001249130205 807545280 /nfs/dbraw/zinc/54/52/80/807545280.db2.gz XWFWHUJQTQXJKZ-MRVPVSSYSA-N 2 2 266.276 0.713 20 0 CCADLP CC[N@H+](C[C@@H](O)CN1CCOCC1)C1CC[NH+](C)CC1 ZINC001251014691 807642038 /nfs/dbraw/zinc/64/20/38/807642038.db2.gz FUENPZCNKJWAIM-HNNXBMFYSA-N 2 2 285.432 0.096 20 0 CCADLP CC[N@@H+](C[C@@H](O)CN1CCOCC1)C1CC[NH+](C)CC1 ZINC001251014691 807642041 /nfs/dbraw/zinc/64/20/41/807642041.db2.gz FUENPZCNKJWAIM-HNNXBMFYSA-N 2 2 285.432 0.096 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCOC1CCC1 ZINC001038116757 815148111 /nfs/dbraw/zinc/14/81/11/815148111.db2.gz MLTXORPWHFWDSR-DZGCQCFKSA-N 2 2 295.427 0.840 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1CCOC1CCC1 ZINC001038116757 815148114 /nfs/dbraw/zinc/14/81/14/815148114.db2.gz MLTXORPWHFWDSR-DZGCQCFKSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCOC1CCC1 ZINC001038116757 815148116 /nfs/dbraw/zinc/14/81/16/815148116.db2.gz MLTXORPWHFWDSR-DZGCQCFKSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1CCOC1CCC1 ZINC001038116757 815148117 /nfs/dbraw/zinc/14/81/17/815148117.db2.gz MLTXORPWHFWDSR-DZGCQCFKSA-N 2 2 295.427 0.840 20 0 CCADLP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](C[C@H](O)COC)CC1 ZINC001252817120 807966571 /nfs/dbraw/zinc/96/65/71/807966571.db2.gz UEDJHAPFQPVKTM-GJZGRUSLSA-N 2 2 286.416 0.569 20 0 CCADLP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](C[C@H](O)COC)CC1 ZINC001252817120 807966576 /nfs/dbraw/zinc/96/65/76/807966576.db2.gz UEDJHAPFQPVKTM-GJZGRUSLSA-N 2 2 286.416 0.569 20 0 CCADLP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](C[C@H](O)COC)CC1 ZINC001252817119 807966876 /nfs/dbraw/zinc/96/68/76/807966876.db2.gz UEDJHAPFQPVKTM-CABCVRRESA-N 2 2 286.416 0.569 20 0 CCADLP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](C[C@H](O)COC)CC1 ZINC001252817119 807966879 /nfs/dbraw/zinc/96/68/79/807966879.db2.gz UEDJHAPFQPVKTM-CABCVRRESA-N 2 2 286.416 0.569 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+]CCN1CCCCO1 ZINC001253201877 808027853 /nfs/dbraw/zinc/02/78/53/808027853.db2.gz ANZISDNZNPZGTO-ZDUSSCGKSA-N 2 2 259.394 0.306 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC001253407713 808060964 /nfs/dbraw/zinc/06/09/64/808060964.db2.gz OHIXIUXWJWTNQE-QEJZJMRPSA-N 2 2 278.396 0.983 20 0 CCADLP CCCC[C@H]([NH2+]C[C@H](O)C[NH2+]C(C)(C)C)C(N)=O ZINC001253411785 808062660 /nfs/dbraw/zinc/06/26/60/808062660.db2.gz WSIGNXGOWUJWBY-QWRGUYRKSA-N 2 2 259.394 0.369 20 0 CCADLP C[NH+]1CCN(C2C[NH+](C[C@@H](O)COC(C)(C)C)C2)CC1 ZINC001253458666 808070889 /nfs/dbraw/zinc/07/08/89/808070889.db2.gz ATBGXZLQINZFJZ-CQSZACIVSA-N 2 2 285.432 0.094 20 0 CCADLP Cn1ccc(C[NH2+][C@@H]2CC3CC[NH+](CC3)C2)cc1=O ZINC001254839138 808284407 /nfs/dbraw/zinc/28/44/07/808284407.db2.gz MANADAPRAMFQDO-CQSZACIVSA-N 2 2 261.369 0.959 20 0 CCADLP CN1C[C@H](C[NH2+][C@@H]2CC3CC[NH+](CC3)C2)CC1=O ZINC001254840553 808285367 /nfs/dbraw/zinc/28/53/67/808285367.db2.gz IYXPVHGPCGOOBJ-QWHCGFSZSA-N 2 2 251.374 0.539 20 0 CCADLP CC(=O)N1CC[C@H](C[NH2+][C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254848462 808286572 /nfs/dbraw/zinc/28/65/72/808286572.db2.gz QRNLCKJWAVEPKZ-HUUCEWRRSA-N 2 2 265.401 0.929 20 0 CCADLP CCOC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2CCC[N@H+](C)C2)cn1 ZINC001255479879 808384429 /nfs/dbraw/zinc/38/44/29/808384429.db2.gz NITYZHLYVHMGNT-OLZOCXBDSA-N 2 2 280.372 0.583 20 0 CCADLP CCOC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2CCC[N@@H+](C)C2)cn1 ZINC001255479879 808384438 /nfs/dbraw/zinc/38/44/38/808384438.db2.gz NITYZHLYVHMGNT-OLZOCXBDSA-N 2 2 280.372 0.583 20 0 CCADLP CN1CC[N@H+](C)C2(CCN([C@@H]3CCC[NH+](C)C3)CC2)C1=O ZINC001255489398 808390310 /nfs/dbraw/zinc/39/03/10/808390310.db2.gz OOLRMOVUHSQLIJ-CQSZACIVSA-N 2 2 294.443 0.319 20 0 CCADLP CN1CC[N@@H+](C)C2(CCN([C@@H]3CCC[NH+](C)C3)CC2)C1=O ZINC001255489398 808390318 /nfs/dbraw/zinc/39/03/18/808390318.db2.gz OOLRMOVUHSQLIJ-CQSZACIVSA-N 2 2 294.443 0.319 20 0 CCADLP CN1CC[NH+](C)C2(CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1=O ZINC001255489398 808390326 /nfs/dbraw/zinc/39/03/26/808390326.db2.gz OOLRMOVUHSQLIJ-CQSZACIVSA-N 2 2 294.443 0.319 20 0 CCADLP CN1CC[NH+](C)C2(CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC001255489398 808390333 /nfs/dbraw/zinc/39/03/33/808390333.db2.gz OOLRMOVUHSQLIJ-CQSZACIVSA-N 2 2 294.443 0.319 20 0 CCADLP CC(C)=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001278878120 808418678 /nfs/dbraw/zinc/41/86/78/808418678.db2.gz JEQNAHRGNCLMFA-CYBMUJFWSA-N 2 2 294.399 0.670 20 0 CCADLP CC(C)=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001278878120 808418685 /nfs/dbraw/zinc/41/86/85/808418685.db2.gz JEQNAHRGNCLMFA-CYBMUJFWSA-N 2 2 294.399 0.670 20 0 CCADLP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H]2COC[C@H]2[NH3+])C1 ZINC001255897654 808436334 /nfs/dbraw/zinc/43/63/34/808436334.db2.gz DQMDBWSTULOYAK-QJPTWQEYSA-N 2 2 285.388 0.702 20 0 CCADLP CCOC(=O)N1CC[C@H]([NH2+][C@@]2(C[NH3+])CN3CCC2CC3)C1 ZINC001256020803 808451034 /nfs/dbraw/zinc/45/10/34/808451034.db2.gz QZRBPSWAALOSFK-ZFWWWQNUSA-N 2 2 296.415 0.230 20 0 CCADLP COC(=O)C1(O)CC[NH+](C2CC[NH+](C3CC3)CC2)CC1 ZINC001256081725 808469529 /nfs/dbraw/zinc/46/95/29/808469529.db2.gz LEZQFPQGYOSIRB-UHFFFAOYSA-N 2 2 282.384 0.613 20 0 CCADLP C[NH+]1CCC(N2CC[NH+](CC(=O)N3CCCC3)CC2)CC1 ZINC001256207396 808480110 /nfs/dbraw/zinc/48/01/10/808480110.db2.gz HLZIHPMAWMHZDI-UHFFFAOYSA-N 2 2 294.443 0.321 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001256327231 808496477 /nfs/dbraw/zinc/49/64/77/808496477.db2.gz BSLNAVYSBALKFN-KGLIPLIRSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001256327231 808496480 /nfs/dbraw/zinc/49/64/80/808496480.db2.gz BSLNAVYSBALKFN-KGLIPLIRSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001256349610 808513301 /nfs/dbraw/zinc/51/33/01/808513301.db2.gz NXNGKVDBTVHDRY-QLFBSQMISA-N 2 2 295.427 0.650 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001256349610 808513305 /nfs/dbraw/zinc/51/33/05/808513305.db2.gz NXNGKVDBTVHDRY-QLFBSQMISA-N 2 2 295.427 0.650 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001256349610 808513310 /nfs/dbraw/zinc/51/33/10/808513310.db2.gz NXNGKVDBTVHDRY-QLFBSQMISA-N 2 2 295.427 0.650 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001256349610 808513315 /nfs/dbraw/zinc/51/33/15/808513315.db2.gz NXNGKVDBTVHDRY-QLFBSQMISA-N 2 2 295.427 0.650 20 0 CCADLP CC(C)[NH+]1CCC([NH2+][C@@H]2COCCC23OCCO3)CC1 ZINC001257204867 808596606 /nfs/dbraw/zinc/59/66/06/808596606.db2.gz BQUIAUUUWNYZTH-CQSZACIVSA-N 2 2 284.400 0.981 20 0 CCADLP CC(C)[NH+]1CCC(N2CC[NH+](CCC[NH3+])CC2)CC1 ZINC001257208702 808598888 /nfs/dbraw/zinc/59/88/88/808598888.db2.gz QEOCMRFQAGZKKJ-UHFFFAOYSA-N 3 2 268.449 0.826 20 0 CCADLP CCOC(=O)CC[C@H](C)[NH2+][C@H](CCCC[NH3+])C(=O)OC ZINC001258477503 808686413 /nfs/dbraw/zinc/68/64/13/808686413.db2.gz JWYBVZNSOFDFQL-NWDGAFQWSA-N 2 2 288.388 0.978 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001259123984 808734066 /nfs/dbraw/zinc/73/40/66/808734066.db2.gz UOIWYFBVYRRLPP-LBPRGKRZSA-N 2 2 262.357 0.659 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001259123984 808734069 /nfs/dbraw/zinc/73/40/69/808734069.db2.gz UOIWYFBVYRRLPP-LBPRGKRZSA-N 2 2 262.357 0.659 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCCc1cn(C)c[nH+]1 ZINC001262095380 809189289 /nfs/dbraw/zinc/18/92/89/809189289.db2.gz SIWOSCVBFITPMW-ZJUUUORDSA-N 2 2 251.334 0.094 20 0 CCADLP C[NH2+][C@@H](C)CC[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC001262162815 809213324 /nfs/dbraw/zinc/21/33/24/809213324.db2.gz ZBCDDMDZVUWDCZ-RYUDHWBXSA-N 3 2 266.393 0.290 20 0 CCADLP C[C@H](CC(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21)n1cc[nH+]c1 ZINC001076304414 815273955 /nfs/dbraw/zinc/27/39/55/815273955.db2.gz NCOVNSBUVVHXNC-HZSPNIEDSA-N 2 2 292.383 0.359 20 0 CCADLP C[C@H](CC(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21)n1cc[nH+]c1 ZINC001076304414 815273958 /nfs/dbraw/zinc/27/39/58/815273958.db2.gz NCOVNSBUVVHXNC-HZSPNIEDSA-N 2 2 292.383 0.359 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001076343775 815279459 /nfs/dbraw/zinc/27/94/59/815279459.db2.gz OUXMLKWOXVAGAW-SGMGOOAPSA-N 2 2 292.383 0.113 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]21 ZINC001076343775 815279462 /nfs/dbraw/zinc/27/94/62/815279462.db2.gz OUXMLKWOXVAGAW-SGMGOOAPSA-N 2 2 292.383 0.113 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]2C[N@H+](CCO)C[C@H]21 ZINC001076343775 815279465 /nfs/dbraw/zinc/27/94/65/815279465.db2.gz OUXMLKWOXVAGAW-SGMGOOAPSA-N 2 2 292.383 0.113 20 0 CCADLP CC[C@@H]1C[C@H]1CNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001262583366 809356485 /nfs/dbraw/zinc/35/64/85/809356485.db2.gz VUTTULXZPVDGBG-NEPJUHHUSA-N 2 2 268.405 0.755 20 0 CCADLP C[C@@H]([NH3+])C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001263133887 809455965 /nfs/dbraw/zinc/45/59/65/809455965.db2.gz HFZJSEGAFYAOOD-GWOFURMSSA-N 2 2 250.346 0.766 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2C2CCC2)CC1 ZINC001263192171 809476380 /nfs/dbraw/zinc/47/63/80/809476380.db2.gz PQIQGIVGRYCWNM-UONOGXRCSA-N 2 2 265.401 0.962 20 0 CCADLP CCS(=O)(=O)CC[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000700790350 809774191 /nfs/dbraw/zinc/77/41/91/809774191.db2.gz BNTLNAOHNOINQO-LBPRGKRZSA-N 2 2 262.419 0.743 20 0 CCADLP CCS(=O)(=O)CC[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000700790350 809774195 /nfs/dbraw/zinc/77/41/95/809774195.db2.gz BNTLNAOHNOINQO-LBPRGKRZSA-N 2 2 262.419 0.743 20 0 CCADLP CCOCC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001265573155 809806571 /nfs/dbraw/zinc/80/65/71/809806571.db2.gz WTBQHCVPPZTZIM-TXEJJXNPSA-N 2 2 266.345 0.156 20 0 CCADLP C[C@H](O)CCC[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001265872587 809880558 /nfs/dbraw/zinc/88/05/58/809880558.db2.gz BXNFXXNTVBHPCT-RYUDHWBXSA-N 2 2 268.361 0.138 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@H]([NH2+]CCOCC2CC2)C1 ZINC001265949470 809903092 /nfs/dbraw/zinc/90/30/92/809903092.db2.gz OZDNBJZRDPZMEB-AWEZNQCLSA-N 2 2 292.383 0.500 20 0 CCADLP C[C@H](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CCCO ZINC001266155506 809951025 /nfs/dbraw/zinc/95/10/25/809951025.db2.gz OLMQCARYHPERSV-OLZOCXBDSA-N 2 2 294.399 0.312 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C[C@H]([NH3+])C(F)F)C1 ZINC000724735175 809989086 /nfs/dbraw/zinc/98/90/86/809989086.db2.gz RBVQZEBOMJSBKT-BBBLOLIVSA-N 2 2 263.332 0.958 20 0 CCADLP COc1cc2[nH+]ccn2cc1-n1c(C)ncc(C[NH3+])c1=N ZINC001167675554 811223275 /nfs/dbraw/zinc/22/32/75/811223275.db2.gz NCRKCQFYJVXYMN-UHFFFAOYSA-N 2 2 284.323 0.775 20 0 CCADLP Cc1ccnc(C[NH2+]CCN(C)C(=O)CC[NH+](C)C)n1 ZINC001267424042 811295671 /nfs/dbraw/zinc/29/56/71/811295671.db2.gz ATUYPDDOLWQUMT-UHFFFAOYSA-N 2 2 279.388 0.285 20 0 CCADLP CN(CC[NH2+]CCC(F)(F)F)C(=O)Cc1c[nH+]c[nH]1 ZINC001267435401 811302508 /nfs/dbraw/zinc/30/25/08/811302508.db2.gz WZXOPCLKVUVKHZ-UHFFFAOYSA-N 2 2 278.278 0.953 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]C/C=C/Cl ZINC001149134275 811332125 /nfs/dbraw/zinc/33/21/25/811332125.db2.gz HJRHPQRYCWDJHA-NSCUHMNNSA-N 2 2 256.737 0.719 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH2+]CCN(C)C(=O)Cn2cc[nH+]c2)O1 ZINC001267479424 811363957 /nfs/dbraw/zinc/36/39/57/811363957.db2.gz UPBWOFLMUSFWMR-OLZOCXBDSA-N 2 2 280.372 0.499 20 0 CCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC[C@@H]1C[NH2+]CCF ZINC001267958067 811894674 /nfs/dbraw/zinc/89/46/74/811894674.db2.gz DGWSTMXTWLXCLV-GXTWGEPZSA-N 2 2 294.374 0.996 20 0 CCADLP CCOCC[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001267970015 811905689 /nfs/dbraw/zinc/90/56/89/811905689.db2.gz MVPUOIDIERGTDJ-CYBMUJFWSA-N 2 2 294.399 0.580 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccnc(-n2cncn2)c1 ZINC000925725494 812010502 /nfs/dbraw/zinc/01/05/02/812010502.db2.gz LGRVLKKWUMLHST-AAEUAGOBSA-N 2 2 272.356 0.892 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001161529485 812047754 /nfs/dbraw/zinc/04/77/54/812047754.db2.gz DVXLEMVRLSCLIA-ICCXJUOJSA-N 3 2 262.357 0.207 20 0 CCADLP CCN1CCC[C@H]([NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)C1=O ZINC000722352787 812141899 /nfs/dbraw/zinc/14/18/99/812141899.db2.gz LDIZQZWBQBTWLW-AVGNSLFASA-N 2 2 269.389 0.354 20 0 CCADLP O=C(NC[C@@H]1CCC[N@@H+]1CCO)[C@H]1CCc2[nH+]ccn2C1 ZINC001027980042 812191100 /nfs/dbraw/zinc/19/11/00/812191100.db2.gz KTBGJFWVDNGDMT-STQMWFEESA-N 2 2 292.383 0.018 20 0 CCADLP C[C@H](C[NH2+]CC[C@H]1CCOC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001268091111 812231760 /nfs/dbraw/zinc/23/17/60/812231760.db2.gz AHSNMYQJQDTKJN-OLZOCXBDSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H](C[NH2+]CCCO)N(C)C(=O)CCc1c[nH+]cn1C ZINC001268097018 812251794 /nfs/dbraw/zinc/25/17/94/812251794.db2.gz WCRQCTROPQBKBH-GFCCVEGCSA-N 2 2 282.388 0.172 20 0 CCADLP C[C@@H](CC[NH2+]CC[C@@H]1CCOC1)NC(=O)Cn1cc[nH+]c1 ZINC001268428897 812563854 /nfs/dbraw/zinc/56/38/54/812563854.db2.gz AVVZKCRYRZJYRD-UONOGXRCSA-N 2 2 294.399 0.794 20 0 CCADLP CC[C@@H](C(=O)N(CC)CC[NH2+]Cc1csnn1)[NH+](C)C ZINC001268476018 812632594 /nfs/dbraw/zinc/63/25/94/812632594.db2.gz CFPIUWWCCFXOGM-LBPRGKRZSA-N 2 2 299.444 0.816 20 0 CCADLP CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001268560056 812800080 /nfs/dbraw/zinc/80/00/80/812800080.db2.gz IFUCCSQFIGTMEW-VSQXVHSFSA-N 2 2 262.357 0.727 20 0 CCADLP CCC[NH2+]C/C=C/CNC(=O)Cc1[nH]c[nH+]c1C ZINC001268619803 812950687 /nfs/dbraw/zinc/95/06/87/812950687.db2.gz UKGJRXNCJDDQPN-SNAWJCMRSA-N 2 2 250.346 0.933 20 0 CCADLP Cc1conc1C[NH2+]C/C=C/CNC(=O)C[NH+]1CCCC1 ZINC001268625038 812952827 /nfs/dbraw/zinc/95/28/27/812952827.db2.gz JYAAPIMVDDSNGC-NSCUHMNNSA-N 2 2 292.383 0.841 20 0 CCADLP C[C@H](C[NH2+]CC[C@@H]1CCCO1)NC(=O)Cn1cc[nH+]c1 ZINC001268675812 812996610 /nfs/dbraw/zinc/99/66/10/812996610.db2.gz HCSFEBVKAWANAO-OLZOCXBDSA-N 2 2 280.372 0.547 20 0 CCADLP C[C@@H](C[NH2+]CCF)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001268693634 813012347 /nfs/dbraw/zinc/01/23/47/813012347.db2.gz KEHUOHGBMPVKEI-QWRGUYRKSA-N 2 2 268.336 0.509 20 0 CCADLP COCC[NH2+]C[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001268706118 813024379 /nfs/dbraw/zinc/02/43/79/813024379.db2.gz VUSQDCHEXDFLAO-NWDGAFQWSA-N 2 2 268.361 0.575 20 0 CCADLP O=C(NC[C@H]1CC[N@@H+](CCF)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001028639547 813092192 /nfs/dbraw/zinc/09/21/92/813092192.db2.gz YXAAFNXXHZMHRK-CHWSQXEVSA-N 2 2 294.374 0.853 20 0 CCADLP O=C(NC[C@H]1CC[N@H+](CCF)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001028639547 813092203 /nfs/dbraw/zinc/09/22/03/813092203.db2.gz YXAAFNXXHZMHRK-CHWSQXEVSA-N 2 2 294.374 0.853 20 0 CCADLP O=C(NC[C@H]1CC[N@@H+](CCF)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001028639548 813093372 /nfs/dbraw/zinc/09/33/72/813093372.db2.gz YXAAFNXXHZMHRK-OLZOCXBDSA-N 2 2 294.374 0.853 20 0 CCADLP O=C(NC[C@H]1CC[N@H+](CCF)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001028639548 813093382 /nfs/dbraw/zinc/09/33/82/813093382.db2.gz YXAAFNXXHZMHRK-OLZOCXBDSA-N 2 2 294.374 0.853 20 0 CCADLP COC[C@H](C)[NH2+]CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001268964796 813160381 /nfs/dbraw/zinc/16/03/81/813160381.db2.gz YFCOGCQIYNWVGN-LBPRGKRZSA-N 2 2 268.361 0.356 20 0 CCADLP CC[NH2+]C1(CNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001269455579 813377442 /nfs/dbraw/zinc/37/74/42/813377442.db2.gz JGLGRIDBYPJDOE-UHFFFAOYSA-N 2 2 250.346 0.611 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]C[C@H]1CCCOC1 ZINC001126436990 813584490 /nfs/dbraw/zinc/58/44/90/813584490.db2.gz QLXPJQCZYRQTFI-GFCCVEGCSA-N 2 2 280.372 0.475 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NCC[NH2+]CC1CCOCC1 ZINC001126448401 813638231 /nfs/dbraw/zinc/63/82/31/813638231.db2.gz URUSUIIHWMQAGF-UHFFFAOYSA-N 2 2 280.372 0.475 20 0 CCADLP CCC[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001270165622 813658388 /nfs/dbraw/zinc/65/83/88/813658388.db2.gz PFBPTNJITCVSJK-GFCCVEGCSA-N 2 2 264.373 0.953 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@@H]1C[NH2+]CCF ZINC001270215713 813683196 /nfs/dbraw/zinc/68/31/96/813683196.db2.gz SZDRWHGCKSCDRW-GFCCVEGCSA-N 2 2 268.336 0.892 20 0 CCADLP C[C@@H](O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001075744220 813693031 /nfs/dbraw/zinc/69/30/31/813693031.db2.gz FYBAZIUOGZZNSS-FRRDWIJNSA-N 2 2 292.383 0.256 20 0 CCADLP C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CCc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001075744220 813693037 /nfs/dbraw/zinc/69/30/37/813693037.db2.gz FYBAZIUOGZZNSS-FRRDWIJNSA-N 2 2 292.383 0.256 20 0 CCADLP C[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001270515213 813793015 /nfs/dbraw/zinc/79/30/15/813793015.db2.gz KYLDNRVWWFJCKZ-AGIUHOORSA-N 2 2 274.368 0.751 20 0 CCADLP C[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001270515213 813793020 /nfs/dbraw/zinc/79/30/20/813793020.db2.gz KYLDNRVWWFJCKZ-AGIUHOORSA-N 2 2 274.368 0.751 20 0 CCADLP CNc1ncccc1C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC000061653304 813798879 /nfs/dbraw/zinc/79/88/79/813798879.db2.gz HFDYYSGDQRZVIJ-UHFFFAOYSA-N 2 2 277.416 0.803 20 0 CCADLP C[C@@]1(C[NH2+]CCF)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001270820251 813953301 /nfs/dbraw/zinc/95/33/01/813953301.db2.gz AGTHGQKTKQXUQQ-ZDUSSCGKSA-N 2 2 268.336 0.750 20 0 CCADLP C[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3cn[nH]c3)C[C@H]21)[NH+](C)C ZINC001271148067 814209827 /nfs/dbraw/zinc/20/98/27/814209827.db2.gz SRAAHUXFDUFMFT-FPMFFAJLSA-N 2 2 291.399 0.393 20 0 CCADLP C[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3cn[nH]c3)C[C@H]21)[NH+](C)C ZINC001271148067 814209832 /nfs/dbraw/zinc/20/98/32/814209832.db2.gz SRAAHUXFDUFMFT-FPMFFAJLSA-N 2 2 291.399 0.393 20 0 CCADLP C[C@@H](F)CC[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001030162116 815853793 /nfs/dbraw/zinc/85/37/93/815853793.db2.gz RYVUZEDJRLOSOE-ZYHUDNBSSA-N 2 2 257.353 0.629 20 0 CCADLP C[C@@H](F)CC[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001030162116 815853803 /nfs/dbraw/zinc/85/38/03/815853803.db2.gz RYVUZEDJRLOSOE-ZYHUDNBSSA-N 2 2 257.353 0.629 20 0 CCADLP [NH3+]CC[N@H+](CCO)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168400131 815855913 /nfs/dbraw/zinc/85/59/13/815855913.db2.gz IDGLOCZNZZXESU-CQSZACIVSA-N 2 2 252.333 0.936 20 0 CCADLP [NH3+]CC[N@@H+](CCO)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168400131 815855921 /nfs/dbraw/zinc/85/59/21/815855921.db2.gz IDGLOCZNZZXESU-CQSZACIVSA-N 2 2 252.333 0.936 20 0 CCADLP O=C(NC1C[NH+](CCCO)C1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001030306326 815968244 /nfs/dbraw/zinc/96/82/44/815968244.db2.gz PAIFPGVVJYXESY-OCCSQVGLSA-N 2 2 281.400 0.044 20 0 CCADLP O=C(NC1C[NH+](CCCO)C1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001030306326 815968250 /nfs/dbraw/zinc/96/82/50/815968250.db2.gz PAIFPGVVJYXESY-OCCSQVGLSA-N 2 2 281.400 0.044 20 0 CCADLP CC[NH+]1CC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001030306765 815969337 /nfs/dbraw/zinc/96/93/37/815969337.db2.gz ZMCCXILHUBUVRF-YPMHNXCESA-N 2 2 251.374 0.681 20 0 CCADLP CC[NH+]1CC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)C1 ZINC001030306765 815969341 /nfs/dbraw/zinc/96/93/41/815969341.db2.gz ZMCCXILHUBUVRF-YPMHNXCESA-N 2 2 251.374 0.681 20 0 CCADLP C[C@@H]1[C@H](C(=O)NC2CN(Cc3c[nH+]cn3C)C2)CC[N@@H+]1C ZINC001030335388 815979770 /nfs/dbraw/zinc/97/97/70/815979770.db2.gz VMTSEVJMPZTMHC-BXUZGUMPSA-N 2 2 291.399 0.061 20 0 CCADLP C[C@@H]1[C@H](C(=O)NC2CN(Cc3c[nH+]cn3C)C2)CC[N@H+]1C ZINC001030335388 815979775 /nfs/dbraw/zinc/97/97/75/815979775.db2.gz VMTSEVJMPZTMHC-BXUZGUMPSA-N 2 2 291.399 0.061 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001030400594 816014885 /nfs/dbraw/zinc/01/48/85/816014885.db2.gz BGKDNYBTIQAIPE-DGCLKSJQSA-N 2 2 269.389 0.042 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC1C[NH+](C[C@@H](C)O)C1 ZINC001030400594 816014892 /nfs/dbraw/zinc/01/48/92/816014892.db2.gz BGKDNYBTIQAIPE-DGCLKSJQSA-N 2 2 269.389 0.042 20 0 CCADLP C[N@@H+]1C[C@@H](O)C[C@H]1C(=O)N1CC2(CC[NH+]2C2CCCC2)C1 ZINC001272273876 816024208 /nfs/dbraw/zinc/02/42/08/816024208.db2.gz ZMWBDXLVHUBCSW-KBPBESRZSA-N 2 2 293.411 0.281 20 0 CCADLP C[N@H+]1C[C@@H](O)C[C@H]1C(=O)N1CC2(CC[NH+]2C2CCCC2)C1 ZINC001272273876 816024214 /nfs/dbraw/zinc/02/42/14/816024214.db2.gz ZMWBDXLVHUBCSW-KBPBESRZSA-N 2 2 293.411 0.281 20 0 CCADLP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1CC2(CC[N@@H+]2C2CCCC2)C1 ZINC001272273876 816024222 /nfs/dbraw/zinc/02/42/22/816024222.db2.gz ZMWBDXLVHUBCSW-KBPBESRZSA-N 2 2 293.411 0.281 20 0 CCADLP C[NH+]1C[C@@H](O)C[C@H]1C(=O)N1CC2(CC[N@H+]2C2CCCC2)C1 ZINC001272273876 816024229 /nfs/dbraw/zinc/02/42/29/816024229.db2.gz ZMWBDXLVHUBCSW-KBPBESRZSA-N 2 2 293.411 0.281 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001030433272 816037682 /nfs/dbraw/zinc/03/76/82/816037682.db2.gz XWLWQHSSRXROTE-ZIAGYGMSSA-N 2 2 297.443 0.800 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001030433272 816037688 /nfs/dbraw/zinc/03/76/88/816037688.db2.gz XWLWQHSSRXROTE-ZIAGYGMSSA-N 2 2 297.443 0.800 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001030618293 816151781 /nfs/dbraw/zinc/15/17/81/816151781.db2.gz CTZSGFCNXUBGDA-LLVKDONJSA-N 2 2 288.351 0.783 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001030618339 816153035 /nfs/dbraw/zinc/15/30/35/816153035.db2.gz FMWVFSGFXVZBFB-NSHDSACASA-N 2 2 288.351 0.783 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC1C[NH+](C[C@H]2CC[C@@H](C)O2)C1 ZINC001030684077 816215835 /nfs/dbraw/zinc/21/58/35/816215835.db2.gz KQVOEDUSMFEYIL-TZMCWYRMSA-N 2 2 292.383 0.559 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001030683486 816216746 /nfs/dbraw/zinc/21/67/46/816216746.db2.gz LYZLSYKBVAKSSY-LLVKDONJSA-N 2 2 266.345 0.027 20 0 CCADLP CCC[N@@H+]1CCC[C@H](C(=O)NC2C[NH+](C[C@H](C)O)C2)C1 ZINC001030826380 816320975 /nfs/dbraw/zinc/32/09/75/816320975.db2.gz YADRIRMGOLDQHT-STQMWFEESA-N 2 2 283.416 0.290 20 0 CCADLP CCC[N@H+]1CCC[C@H](C(=O)NC2C[NH+](C[C@H](C)O)C2)C1 ZINC001030826380 816320981 /nfs/dbraw/zinc/32/09/81/816320981.db2.gz YADRIRMGOLDQHT-STQMWFEESA-N 2 2 283.416 0.290 20 0 CCADLP CC[N@@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001272436741 816427736 /nfs/dbraw/zinc/42/77/36/816427736.db2.gz AGTJFPDRYPNMDZ-CQSZACIVSA-N 2 2 262.357 0.827 20 0 CCADLP CC[N@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001272436741 816427741 /nfs/dbraw/zinc/42/77/41/816427741.db2.gz AGTJFPDRYPNMDZ-CQSZACIVSA-N 2 2 262.357 0.827 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC001121942722 816493720 /nfs/dbraw/zinc/49/37/20/816493720.db2.gz CCYCFXWDNIQTDE-VXGBXAGGSA-N 2 2 262.357 0.800 20 0 CCADLP CC[C@H](C[NH+]1CC(NC(=O)C[N@@H+]2CCC[C@H]2C)C1)OC ZINC001030956296 816499460 /nfs/dbraw/zinc/49/94/60/816499460.db2.gz XNRCJYSGELUKKZ-TZMCWYRMSA-N 2 2 283.416 0.696 20 0 CCADLP CC[C@H](C[NH+]1CC(NC(=O)C[N@H+]2CCC[C@H]2C)C1)OC ZINC001030956296 816499467 /nfs/dbraw/zinc/49/94/67/816499467.db2.gz XNRCJYSGELUKKZ-TZMCWYRMSA-N 2 2 283.416 0.696 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NC2CN(Cc3c[nH+]cn3C)C2)C1 ZINC001030960095 816508724 /nfs/dbraw/zinc/50/87/24/816508724.db2.gz PCHZHSWEXJCROU-GFCCVEGCSA-N 2 2 291.399 0.062 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NC2CN(Cc3c[nH+]cn3C)C2)C1 ZINC001030960095 816508728 /nfs/dbraw/zinc/50/87/28/816508728.db2.gz PCHZHSWEXJCROU-GFCCVEGCSA-N 2 2 291.399 0.062 20 0 CCADLP C[NH+](C)CCn1cc(C(=O)NC2C[NH+](CCCF)C2)cn1 ZINC001031083660 816633406 /nfs/dbraw/zinc/63/34/06/816633406.db2.gz OKHWKBRAMURRDN-UHFFFAOYSA-N 2 2 297.378 0.218 20 0 CCADLP CC[C@@H](C[NH+]1CC(NC(=O)C[NH+]2CCC(C)CC2)C1)OC ZINC001031143433 816694801 /nfs/dbraw/zinc/69/48/01/816694801.db2.gz PNMUKOGYHASKJU-HNNXBMFYSA-N 2 2 297.443 0.944 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106704874 816859780 /nfs/dbraw/zinc/85/97/80/816859780.db2.gz GPZNEMHKJIGDMT-IJLUTSLNSA-N 2 2 280.372 0.017 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@H+]2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)O1 ZINC001235394101 816869225 /nfs/dbraw/zinc/86/92/25/816869225.db2.gz BSKURSWGSPZSEB-WOPDTQHZSA-N 3 2 271.380 0.720 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[N@@H+]2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)O1 ZINC001235394101 816869231 /nfs/dbraw/zinc/86/92/31/816869231.db2.gz BSKURSWGSPZSEB-WOPDTQHZSA-N 3 2 271.380 0.720 20 0 CCADLP CC[NH+]1CC(NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001031257199 816907826 /nfs/dbraw/zinc/90/78/26/816907826.db2.gz MBLGZSZHOKSVIF-AAEUAGOBSA-N 2 2 253.390 0.927 20 0 CCADLP CC[C@@H](C)C[NH+]1CC(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001031258680 816910675 /nfs/dbraw/zinc/91/06/75/816910675.db2.gz QIKIWKWZGLXBGV-LLVKDONJSA-N 2 2 264.373 0.809 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NC2C[NH+](CC3CCC3)C2)C1 ZINC001031414228 817039080 /nfs/dbraw/zinc/03/90/80/817039080.db2.gz HHAOTUHJQHWAAC-CQSZACIVSA-N 2 2 281.400 0.308 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NC2C[NH+](CC3CCC3)C2)C1 ZINC001031414228 817039089 /nfs/dbraw/zinc/03/90/89/817039089.db2.gz HHAOTUHJQHWAAC-CQSZACIVSA-N 2 2 281.400 0.308 20 0 CCADLP O=C(NCC[NH2+]Cc1ncccn1)[C@H]1C[NH+]2CCC1CC2 ZINC001127473619 817146265 /nfs/dbraw/zinc/14/62/65/817146265.db2.gz ARIPRLCTNZPVFU-ZDUSSCGKSA-N 2 2 289.383 0.024 20 0 CCADLP O=C(NCC[NH2+]Cc1nncs1)[C@H]1C[NH+]2CCC1CC2 ZINC001127481917 817155635 /nfs/dbraw/zinc/15/56/35/817155635.db2.gz YYKZEYVEIBWLHU-NSHDSACASA-N 2 2 295.412 0.086 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C/C=C/Cl)C1 ZINC001031585216 817164490 /nfs/dbraw/zinc/16/44/90/817164490.db2.gz SCJFEPCTHRVBCX-PYEVWLCESA-N 2 2 271.792 0.881 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C/C=C/Cl)C1 ZINC001031585216 817164497 /nfs/dbraw/zinc/16/44/97/817164497.db2.gz SCJFEPCTHRVBCX-PYEVWLCESA-N 2 2 271.792 0.881 20 0 CCADLP CC[C@H](F)C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001031597129 817174090 /nfs/dbraw/zinc/17/40/90/817174090.db2.gz UVINAKCBSHEUJG-QWHCGFSZSA-N 2 2 287.379 0.113 20 0 CCADLP CC[C@H](F)C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001031597129 817174095 /nfs/dbraw/zinc/17/40/95/817174095.db2.gz UVINAKCBSHEUJG-QWHCGFSZSA-N 2 2 287.379 0.113 20 0 CCADLP C[N@H+](CCO)Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001236255411 817198611 /nfs/dbraw/zinc/19/86/11/817198611.db2.gz MPGSJOZYSKLKDZ-UHFFFAOYSA-N 2 2 270.402 0.319 20 0 CCADLP C[N@@H+](CCO)Cc1cnc(N2CC[NH+](C)CC2)s1 ZINC001236255411 817198614 /nfs/dbraw/zinc/19/86/14/817198614.db2.gz MPGSJOZYSKLKDZ-UHFFFAOYSA-N 2 2 270.402 0.319 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](CC2CCSCC2)C[C@@H]1[NH3+] ZINC001236341937 817267567 /nfs/dbraw/zinc/26/75/67/817267567.db2.gz LZFIOTRIHAVNHL-MNOVXSKESA-N 2 2 258.387 0.562 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](CC2CCSCC2)C[C@@H]1[NH3+] ZINC001236341937 817267576 /nfs/dbraw/zinc/26/75/76/817267576.db2.gz LZFIOTRIHAVNHL-MNOVXSKESA-N 2 2 258.387 0.562 20 0 CCADLP COC[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001031744701 817308848 /nfs/dbraw/zinc/30/88/48/817308848.db2.gz OATDMZZGDINTOH-RAIGVLPGSA-N 2 2 292.383 0.596 20 0 CCADLP CC[NH+]1CC(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001031784425 817364690 /nfs/dbraw/zinc/36/46/90/817364690.db2.gz RMLUFKIZXFEDHK-LBPRGKRZSA-N 2 2 262.357 0.513 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)oc1C ZINC001127685076 817448210 /nfs/dbraw/zinc/44/82/10/817448210.db2.gz BICZFWWWLHVQLN-DGCLKSJQSA-N 2 2 294.399 0.837 20 0 CCADLP Cc1nc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)oc1C ZINC001127685076 817448213 /nfs/dbraw/zinc/44/82/13/817448213.db2.gz BICZFWWWLHVQLN-DGCLKSJQSA-N 2 2 294.399 0.837 20 0 CCADLP CC(C)[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001031983313 817520482 /nfs/dbraw/zinc/52/04/82/817520482.db2.gz WCZXXJWEMRUNLQ-CHWSQXEVSA-N 2 2 276.384 0.980 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCF)C1 ZINC001032205739 817701582 /nfs/dbraw/zinc/70/15/82/817701582.db2.gz HEHMUJWLEYCHCN-ZDUSSCGKSA-N 2 2 271.380 0.878 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC000996458396 817809049 /nfs/dbraw/zinc/80/90/49/817809049.db2.gz VTRAFWDCZXGWEO-MNOVXSKESA-N 2 2 280.372 0.160 20 0 CCADLP C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCC[NH2+]CCCF)[nH]n1 ZINC001127773745 817852371 /nfs/dbraw/zinc/85/23/71/817852371.db2.gz UPNJXOOXINXGHX-ZDUSSCGKSA-N 2 2 297.378 0.855 20 0 CCADLP C[N@H+]1CCC[C@H]1c1cc(C(=O)NCC[NH2+]CCCF)[nH]n1 ZINC001127773745 817852377 /nfs/dbraw/zinc/85/23/77/817852377.db2.gz UPNJXOOXINXGHX-ZDUSSCGKSA-N 2 2 297.378 0.855 20 0 CCADLP CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001032332017 817887916 /nfs/dbraw/zinc/88/79/16/817887916.db2.gz OZEBZGHBFZGKEZ-RWMBFGLXSA-N 2 2 267.373 0.012 20 0 CCADLP CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001032332017 817887922 /nfs/dbraw/zinc/88/79/22/817887922.db2.gz OZEBZGHBFZGKEZ-RWMBFGLXSA-N 2 2 267.373 0.012 20 0 CCADLP CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001032332017 817887931 /nfs/dbraw/zinc/88/79/31/817887931.db2.gz OZEBZGHBFZGKEZ-RWMBFGLXSA-N 2 2 267.373 0.012 20 0 CCADLP CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001032332017 817887936 /nfs/dbraw/zinc/88/79/36/817887936.db2.gz OZEBZGHBFZGKEZ-RWMBFGLXSA-N 2 2 267.373 0.012 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]CCF)C12CCC2 ZINC001078830363 818056540 /nfs/dbraw/zinc/05/65/40/818056540.db2.gz XZJIEOGDQVZKHD-NEPJUHHUSA-N 2 2 280.347 0.870 20 0 CCADLP CO[C@@H](C)C[NH+]1CC(N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001044082238 818236341 /nfs/dbraw/zinc/23/63/41/818236341.db2.gz AAHLQCJMORDQGT-AWEZNQCLSA-N 2 2 297.443 0.896 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2c[nH]c3cc(=O)[nH]c-3c2)CC1 ZINC001168737436 818566059 /nfs/dbraw/zinc/56/60/59/818566059.db2.gz XCHDHHPOUWAJAA-UHFFFAOYSA-N 2 2 274.328 0.170 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033452769 818782839 /nfs/dbraw/zinc/78/28/39/818782839.db2.gz OHOZILPSACGQLI-WCQYABFASA-N 2 2 280.372 0.520 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033452769 818782849 /nfs/dbraw/zinc/78/28/49/818782849.db2.gz OHOZILPSACGQLI-WCQYABFASA-N 2 2 280.372 0.520 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033452767 818784553 /nfs/dbraw/zinc/78/45/53/818784553.db2.gz OHOZILPSACGQLI-AAEUAGOBSA-N 2 2 280.372 0.520 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033452767 818784556 /nfs/dbraw/zinc/78/45/56/818784556.db2.gz OHOZILPSACGQLI-AAEUAGOBSA-N 2 2 280.372 0.520 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033618436 818854536 /nfs/dbraw/zinc/85/45/36/818854536.db2.gz HALRRQQSQLTVIE-AAEUAGOBSA-N 2 2 294.399 0.828 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@H](N(C)C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001033618436 818854540 /nfs/dbraw/zinc/85/45/40/818854540.db2.gz HALRRQQSQLTVIE-AAEUAGOBSA-N 2 2 294.399 0.828 20 0 CCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702119443 819057276 /nfs/dbraw/zinc/05/72/76/819057276.db2.gz DWIJNOWHSSRFNI-SGMGOOAPSA-N 2 2 253.390 0.785 20 0 CCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000702119443 819057282 /nfs/dbraw/zinc/05/72/82/819057282.db2.gz DWIJNOWHSSRFNI-SGMGOOAPSA-N 2 2 253.390 0.785 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000702336486 819108098 /nfs/dbraw/zinc/10/80/98/819108098.db2.gz VARLAGHEEMIMKY-SGMGOOAPSA-N 2 2 270.373 0.184 20 0 CCADLP CCOC(=O)C[C@H](O)C[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000702336486 819108101 /nfs/dbraw/zinc/10/81/01/819108101.db2.gz VARLAGHEEMIMKY-SGMGOOAPSA-N 2 2 270.373 0.184 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000702336486 819108103 /nfs/dbraw/zinc/10/81/03/819108103.db2.gz VARLAGHEEMIMKY-SGMGOOAPSA-N 2 2 270.373 0.184 20 0 CCADLP CCOC(=O)C[C@H](O)C[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000702336486 819108107 /nfs/dbraw/zinc/10/81/07/819108107.db2.gz VARLAGHEEMIMKY-SGMGOOAPSA-N 2 2 270.373 0.184 20 0 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/nfs/dbraw/zinc/11/61/73/844116173.db2.gz YWSVPUOEPLBYIQ-LBPRGKRZSA-N 2 2 262.357 0.664 20 0 CCADLP C[N@H+]1CC[C@@H](CNC(=O)CCc2ccc(N)[nH+]c2)C1 ZINC001183940373 844116178 /nfs/dbraw/zinc/11/61/78/844116178.db2.gz YWSVPUOEPLBYIQ-LBPRGKRZSA-N 2 2 262.357 0.664 20 0 CCADLP Cn1c[nH+]cc1-n1nnc(-c2cccc(C[NH3+])c2)n1 ZINC001168880550 836041751 /nfs/dbraw/zinc/04/17/51/836041751.db2.gz VEICYICIDNLBLB-UHFFFAOYSA-N 2 2 255.285 0.522 20 0 CCADLP Cc1cnc(Cl)nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169066784 836122709 /nfs/dbraw/zinc/12/27/09/836122709.db2.gz JGZCKHWAKBEHBV-MRVPVSSYSA-N 2 2 267.720 0.486 20 0 CCADLP Cn1ccc2ncnc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)c21 ZINC001169067048 836123097 /nfs/dbraw/zinc/12/30/97/836123097.db2.gz MMDOMNNDMMWMCV-SECBINFHSA-N 2 2 272.312 0.016 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1nccc(-c2ccco2)n1 ZINC001169071213 836124170 /nfs/dbraw/zinc/12/41/70/836124170.db2.gz HXFZDRQJRXYMGB-SNVBAGLBSA-N 2 2 285.307 0.784 20 0 CCADLP CCOc1ncc(F)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169067387 836124262 /nfs/dbraw/zinc/12/42/62/836124262.db2.gz RQSDKZKMOOBKJO-MRVPVSSYSA-N 2 2 281.291 0.062 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc(-n2cccc2)cn1 ZINC001169071442 836125486 /nfs/dbraw/zinc/12/54/86/836125486.db2.gz DTHIFQGXGCKVLT-GFCCVEGCSA-N 2 2 283.335 0.920 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cc2cncnc2cn1 ZINC001169072801 836125665 /nfs/dbraw/zinc/12/56/65/836125665.db2.gz YWVJGAYUFWPEAY-SNVBAGLBSA-N 2 2 270.296 0.073 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc2c(c1)COC2=O ZINC001169073828 836126547 /nfs/dbraw/zinc/12/65/47/836126547.db2.gz MOXYDBSUBKUBOE-SNVBAGLBSA-N 2 2 273.292 0.405 20 0 CCADLP Cc1nc2cncc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)c2o1 ZINC001169074244 836127357 /nfs/dbraw/zinc/12/73/57/836127357.db2.gz HJNWAEJPQRWHNG-SECBINFHSA-N 2 2 273.296 0.579 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1c[n+]([O-])ccc1Cl ZINC001169075539 836128704 /nfs/dbraw/zinc/12/87/04/836128704.db2.gz SIZKBDDNTQDAQY-MRVPVSSYSA-N 2 2 268.704 0.021 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]CCc1ccns1 ZINC001169212822 836161764 /nfs/dbraw/zinc/16/17/64/836161764.db2.gz XLSIUMLSPROLJB-UHFFFAOYSA-N 2 2 293.396 0.747 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCCC[NH2+]Cc1cncs1 ZINC001169212598 836161772 /nfs/dbraw/zinc/16/17/72/836161772.db2.gz WDNSHKNSBWDIAW-UHFFFAOYSA-N 2 2 279.369 0.705 20 0 CCADLP CC[NH+]1CCC([N@@H+]2CC[C@@H](O)[C@@](C)(CO)C2)CC1 ZINC001169246204 836174009 /nfs/dbraw/zinc/17/40/09/836174009.db2.gz PKHWHLLPOMDHSG-ZIAGYGMSSA-N 2 2 256.390 0.536 20 0 CCADLP CC[NH+]1CCC([N@H+]2CC[C@@H](O)[C@@](C)(CO)C2)CC1 ZINC001169246204 836174011 /nfs/dbraw/zinc/17/40/11/836174011.db2.gz PKHWHLLPOMDHSG-ZIAGYGMSSA-N 2 2 256.390 0.536 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCn2cc[nH+]c2)CO1 ZINC001169312905 836192889 /nfs/dbraw/zinc/19/28/89/836192889.db2.gz HHCCNVSQKSCLOC-NEPJUHHUSA-N 2 2 267.329 0.583 20 0 CCADLP COCC[N@H+]([C@H]1CCN(C(C)=O)C1)C1CC[NH+](C)CC1 ZINC001169552148 836343177 /nfs/dbraw/zinc/34/31/77/836343177.db2.gz MOHCQIABAMAZBY-HNNXBMFYSA-N 2 2 283.416 0.650 20 0 CCADLP COCC[N@@H+]([C@H]1CCN(C(C)=O)C1)C1CC[NH+](C)CC1 ZINC001169552148 836343188 /nfs/dbraw/zinc/34/31/88/836343188.db2.gz MOHCQIABAMAZBY-HNNXBMFYSA-N 2 2 283.416 0.650 20 0 CCADLP CC(=O)N1CC[C@H]([NH+]2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)C1 ZINC001169564499 836355110 /nfs/dbraw/zinc/35/51/10/836355110.db2.gz XTDNJOCHFFRFCB-MELADBBJSA-N 2 2 251.374 0.633 20 0 CCADLP CC(=O)N1CC[C@H]([NH+]2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)C1 ZINC001169564499 836355118 /nfs/dbraw/zinc/35/51/18/836355118.db2.gz XTDNJOCHFFRFCB-MELADBBJSA-N 2 2 251.374 0.633 20 0 CCADLP CC(=O)N1CC[C@H]([N@@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)C1 ZINC001169564499 836355128 /nfs/dbraw/zinc/35/51/28/836355128.db2.gz XTDNJOCHFFRFCB-MELADBBJSA-N 2 2 251.374 0.633 20 0 CCADLP CC(=O)N1CC[C@H]([N@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)C1 ZINC001169564499 836355132 /nfs/dbraw/zinc/35/51/32/836355132.db2.gz XTDNJOCHFFRFCB-MELADBBJSA-N 2 2 251.374 0.633 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNc1c[nH+]ccc1N1CCOCC1 ZINC001169655148 836410227 /nfs/dbraw/zinc/41/02/27/836410227.db2.gz DNPHRJLGAUMOKE-ZDUSSCGKSA-N 2 2 292.383 0.661 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNc1c[nH+]ccc1N1CCOCC1 ZINC001169655148 836410233 /nfs/dbraw/zinc/41/02/33/836410233.db2.gz DNPHRJLGAUMOKE-ZDUSSCGKSA-N 2 2 292.383 0.661 20 0 CCADLP [NH3+][C@@H]1COC[C@H]1[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169727744 836432378 /nfs/dbraw/zinc/43/23/78/836432378.db2.gz GZFTVEBYHYSCLI-RBSFLKMASA-N 2 2 289.379 0.607 20 0 CCADLP COCCCC[NH+]1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001112808472 836920432 /nfs/dbraw/zinc/92/04/32/836920432.db2.gz FCPGADZAGWHUQZ-UHFFFAOYSA-N 2 2 294.399 0.913 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CC[NH+](C[C@@H](C)OC)CC1 ZINC001113572755 837163664 /nfs/dbraw/zinc/16/36/64/837163664.db2.gz KVMMLEVJQLJNHD-CYBMUJFWSA-N 2 2 271.405 0.507 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[NH+](C[C@@H](C)OC)CC1 ZINC001113572755 837163670 /nfs/dbraw/zinc/16/36/70/837163670.db2.gz KVMMLEVJQLJNHD-CYBMUJFWSA-N 2 2 271.405 0.507 20 0 CCADLP CO[C@@H](C)C[NH+]1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001113722864 837206638 /nfs/dbraw/zinc/20/66/38/837206638.db2.gz FJRDCUXBAPBHDC-AWEZNQCLSA-N 2 2 294.399 0.842 20 0 CCADLP CC[N@H+](C)CCC(=O)NCCC[NH2+][C@@H](C)c1noc(C)n1 ZINC001170222961 837270412 /nfs/dbraw/zinc/27/04/12/837270412.db2.gz PHWHODSKXDUCGL-NSHDSACASA-N 2 2 297.403 0.877 20 0 CCADLP CC[N@@H+](C)CCC(=O)NCCC[NH2+][C@@H](C)c1noc(C)n1 ZINC001170222961 837270418 /nfs/dbraw/zinc/27/04/18/837270418.db2.gz PHWHODSKXDUCGL-NSHDSACASA-N 2 2 297.403 0.877 20 0 CCADLP C[C@H](O)C[NH2+]CCNC(=O)c1cccc2[nH+]ccn21 ZINC001131270519 838032215 /nfs/dbraw/zinc/03/22/15/838032215.db2.gz MIMLACAPBCVPFC-JTQLQIEISA-N 2 2 262.313 0.035 20 0 CCADLP Cc1cc(C)c(C(=O)NCC[NH2+]CCO)c(C)[nH+]1 ZINC001131562898 838142187 /nfs/dbraw/zinc/14/21/87/838142187.db2.gz ONLHFXZDUIYXPF-UHFFFAOYSA-N 2 2 251.330 0.319 20 0 CCADLP COCCOc1cc(N[C@H](C)[C@@H]2C[NH2+]CCO2)cc[nH+]1 ZINC001170577149 838172815 /nfs/dbraw/zinc/17/28/15/838172815.db2.gz YGDWTRBNKJZXKE-YPMHNXCESA-N 2 2 281.356 0.896 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC[NH2+]CCCF ZINC001131822460 838232823 /nfs/dbraw/zinc/23/28/23/838232823.db2.gz OENKBAJVCYVOAU-ZDUSSCGKSA-N 2 2 289.395 0.553 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC[NH2+]CCCF ZINC001131822460 838232838 /nfs/dbraw/zinc/23/28/38/838232838.db2.gz OENKBAJVCYVOAU-ZDUSSCGKSA-N 2 2 289.395 0.553 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]CCOC1CCC1 ZINC001132081935 838313206 /nfs/dbraw/zinc/31/32/06/838313206.db2.gz GUFHONJMLDJPAY-UHFFFAOYSA-N 2 2 280.372 0.548 20 0 CCADLP Cc1ncoc1C[NH2+]CCNC(=O)CCn1cc[nH+]c1 ZINC001132082423 838314380 /nfs/dbraw/zinc/31/43/80/838314380.db2.gz NMZUGZPGHKVHFV-UHFFFAOYSA-N 2 2 277.328 0.476 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH2+]CCNC(=O)CCn2cc[nH+]c2)O1 ZINC001132082973 838314799 /nfs/dbraw/zinc/31/47/99/838314799.db2.gz ZLKVSKGSWGRWJO-OLZOCXBDSA-N 2 2 280.372 0.547 20 0 CCADLP O=C(NCC[NH2+]CC1CC1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001132784484 838495217 /nfs/dbraw/zinc/49/52/17/838495217.db2.gz WVNRYZVENKFIIN-OAHLLOKOSA-N 2 2 295.427 0.746 20 0 CCADLP O=C(NCC[NH2+]CC1CC1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001132784484 838495219 /nfs/dbraw/zinc/49/52/19/838495219.db2.gz WVNRYZVENKFIIN-OAHLLOKOSA-N 2 2 295.427 0.746 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[NH2+]Cc2csnn2)CC[N@@H+]1C ZINC001132886131 838513394 /nfs/dbraw/zinc/51/33/94/838513394.db2.gz DALARIKPVORRJO-QWRGUYRKSA-N 2 2 297.428 0.474 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[NH2+]Cc2csnn2)CC[N@H+]1C ZINC001132886131 838513397 /nfs/dbraw/zinc/51/33/97/838513397.db2.gz DALARIKPVORRJO-QWRGUYRKSA-N 2 2 297.428 0.474 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[NH2+]Cc2nncs2)CC[N@@H+]1C ZINC001132892877 838514928 /nfs/dbraw/zinc/51/49/28/838514928.db2.gz DMIJSNDOICVARW-QWRGUYRKSA-N 2 2 297.428 0.474 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[NH2+]Cc2nncs2)CC[N@H+]1C ZINC001132892877 838514936 /nfs/dbraw/zinc/51/49/36/838514936.db2.gz DMIJSNDOICVARW-QWRGUYRKSA-N 2 2 297.428 0.474 20 0 CCADLP C[NH+](C)CC1(C(=O)NCC[NH2+]Cc2nncs2)CC1 ZINC001132994844 838533226 /nfs/dbraw/zinc/53/32/26/838533226.db2.gz DLDKVUDVYSHXII-UHFFFAOYSA-N 2 2 283.401 0.086 20 0 CCADLP C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CCCO ZINC001133194507 838573861 /nfs/dbraw/zinc/57/38/61/838573861.db2.gz GUTPGERBFFHDAJ-QWHCGFSZSA-N 2 2 294.399 0.409 20 0 CCADLP CC(C)c1nsc(C[NH2+]CCNC(=O)CC[NH+](C)C)n1 ZINC001133287893 838589454 /nfs/dbraw/zinc/58/94/54/838589454.db2.gz OXCLYMCDDSVKME-UHFFFAOYSA-N 2 2 299.444 0.819 20 0 CCADLP CCCCc1noc(C[NH2+]CCNC(=O)CC[NH+](C)C)n1 ZINC001133294522 838592063 /nfs/dbraw/zinc/59/20/63/838592063.db2.gz MDWUPONATOMFSW-UHFFFAOYSA-N 2 2 297.403 0.570 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)CC[NH+](C)C)o1 ZINC001133294831 838592076 /nfs/dbraw/zinc/59/20/76/838592076.db2.gz WHKXYFVUWQZLQU-UHFFFAOYSA-N 2 2 254.334 0.141 20 0 CCADLP C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CCF ZINC001133353489 838609738 /nfs/dbraw/zinc/60/97/38/838609738.db2.gz CQIUIYWKWJKCEG-CHWSQXEVSA-N 2 2 282.363 0.927 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C)o1 ZINC001133415875 838622351 /nfs/dbraw/zinc/62/23/51/838622351.db2.gz RUMLSZCSQKCLOR-CYBMUJFWSA-N 2 2 282.388 0.775 20 0 CCADLP CC[C@@H](C[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21)OC ZINC001133664297 838691214 /nfs/dbraw/zinc/69/12/14/838691214.db2.gz NQTYJTBEPLXTTF-NWDGAFQWSA-N 2 2 294.399 0.960 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)C[N@@H+]2CCC(C)(C)C2)o1 ZINC001133877337 838764210 /nfs/dbraw/zinc/76/42/10/838764210.db2.gz WGXAHYOHYMHIET-UHFFFAOYSA-N 2 2 294.399 0.921 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)C[N@H+]2CCC(C)(C)C2)o1 ZINC001133877337 838764214 /nfs/dbraw/zinc/76/42/14/838764214.db2.gz WGXAHYOHYMHIET-UHFFFAOYSA-N 2 2 294.399 0.921 20 0 CCADLP CO[C@H](C)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001134049555 838845525 /nfs/dbraw/zinc/84/55/25/838845525.db2.gz IGLZJYXKBFCNQG-IJLUTSLNSA-N 2 2 280.372 0.264 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[NH2+]CCCF ZINC001134049382 838845665 /nfs/dbraw/zinc/84/56/65/838845665.db2.gz DPOKDVOWFPMIAF-GHMZBOCLSA-N 2 2 268.336 0.589 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]Cc1cncc(F)c1 ZINC001134406952 838962236 /nfs/dbraw/zinc/96/22/36/838962236.db2.gz JVNXAOGSFZYMMD-UHFFFAOYSA-N 2 2 277.303 0.392 20 0 CCADLP Cc1ncccc1C[NH2+]CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001134407111 838962935 /nfs/dbraw/zinc/96/29/35/838962935.db2.gz QZGZYOOGGLSVIN-UHFFFAOYSA-N 2 2 273.340 0.562 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCC[NH2+]Cc1ccc(CO)cc1 ZINC001134393191 838965402 /nfs/dbraw/zinc/96/54/02/838965402.db2.gz LLODQDWITMUHGQ-UHFFFAOYSA-N 2 2 288.351 0.351 20 0 CCADLP C[C@H](O)CCC[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001134498250 838995200 /nfs/dbraw/zinc/99/52/00/838995200.db2.gz BEFPDSAOBZVYPO-STQMWFEESA-N 2 2 282.388 0.701 20 0 CCADLP O=C(NCC[NH2+]CCF)C1([NH+]2CCOCC2)CCCC1 ZINC001134616363 839021064 /nfs/dbraw/zinc/02/10/64/839021064.db2.gz CNIRLDGZCUAGTC-UHFFFAOYSA-N 2 2 287.379 0.307 20 0 CCADLP C[NH+]1CC(CNc2cccc(N3CC[NH+](C)CC3)[nH+]2)C1 ZINC001159219403 839025903 /nfs/dbraw/zinc/02/59/03/839025903.db2.gz ICTFLVBZWGTEPC-UHFFFAOYSA-N 3 2 275.400 0.807 20 0 CCADLP C[NH+]1CC(CNc2cccc(N3CC[NH+](C)CC3)n2)C1 ZINC001159219403 839025919 /nfs/dbraw/zinc/02/59/19/839025919.db2.gz ICTFLVBZWGTEPC-UHFFFAOYSA-N 2 2 275.400 0.807 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CC1CCOCC1 ZINC001135072491 839151552 /nfs/dbraw/zinc/15/15/52/839151552.db2.gz XZUQRQSYTVOQNL-LBPRGKRZSA-N 2 2 294.399 0.721 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]CC1CCOCC1 ZINC001135072491 839151553 /nfs/dbraw/zinc/15/15/53/839151553.db2.gz XZUQRQSYTVOQNL-LBPRGKRZSA-N 2 2 294.399 0.721 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CCCF ZINC001135080561 839158236 /nfs/dbraw/zinc/15/82/36/839158236.db2.gz XFIISASFQDPDEM-SNVBAGLBSA-N 2 2 256.325 0.654 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]CCCF ZINC001135080561 839158242 /nfs/dbraw/zinc/15/82/42/839158242.db2.gz XFIISASFQDPDEM-SNVBAGLBSA-N 2 2 256.325 0.654 20 0 CCADLP C[C@H](C[C@H](C)[NH2+]CCF)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135553045 839293857 /nfs/dbraw/zinc/29/38/57/839293857.db2.gz OPPTVAORSIKMPG-VHSXEESVSA-N 2 2 256.325 0.795 20 0 CCADLP C[C@@H]1C[C@@H](C[NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001135757506 839391682 /nfs/dbraw/zinc/39/16/82/839391682.db2.gz FAIHYPIENDUYSD-NEPJUHHUSA-N 2 2 280.372 0.473 20 0 CCADLP CC[C@]([NH3+])(CO)Nc1ccc(C[C@H]([NH3+])C(=O)OC)cc1 ZINC001170864496 839458645 /nfs/dbraw/zinc/45/86/45/839458645.db2.gz IPDFVXRIZWPURP-GXTWGEPZSA-N 2 2 281.356 0.199 20 0 CCADLP CC[C@@]([NH3+])(CO)Nc1c[nH+]ccc1N1CCOCC1 ZINC001170864010 839462036 /nfs/dbraw/zinc/46/20/36/839462036.db2.gz QHYYPCHTOGWZFS-ZDUSSCGKSA-N 2 2 266.345 0.387 20 0 CCADLP CC[C@]([NH3+])(CO)Nc1c[nH+]ccc1N1CCOCC1 ZINC001170864008 839462275 /nfs/dbraw/zinc/46/22/75/839462275.db2.gz QHYYPCHTOGWZFS-CYBMUJFWSA-N 2 2 266.345 0.387 20 0 CCADLP COCCOc1cc(N[C@H]([NH3+])CCC[NH3+])cc[nH+]1 ZINC001170902133 839553997 /nfs/dbraw/zinc/55/39/97/839553997.db2.gz BHMKGEPZPGXIPC-NSHDSACASA-N 3 2 254.334 0.542 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C ZINC001245976057 839575174 /nfs/dbraw/zinc/57/51/74/839575174.db2.gz BEPJIOMBXOSWMZ-XQQFMLRXSA-N 3 2 257.422 0.571 20 0 CCADLP O=C(N1CCC([NH2+][C@@H]2CC[NH2+]C[C@H]2F)CC1)C(F)(F)F ZINC001246087402 839601605 /nfs/dbraw/zinc/60/16/05/839601605.db2.gz NZXSLXVRWAYGFT-NXEZZACHSA-N 2 2 297.296 0.829 20 0 CCADLP C[C@H]1CC[C@@H](C[NH2+]C2C[C@@H]3COC[C@H](C2)N3C)[NH2+]C1 ZINC001246103347 839616876 /nfs/dbraw/zinc/61/68/76/839616876.db2.gz HORXZBYWTBQQLK-UUQIVFDPSA-N 2 2 267.417 0.826 20 0 CCADLP C[C@H]1CC[C@@H](CNC2C[C@@H]3COC[C@H](C2)[N@@H+]3C)[NH2+]C1 ZINC001246103347 839616880 /nfs/dbraw/zinc/61/68/80/839616880.db2.gz HORXZBYWTBQQLK-UUQIVFDPSA-N 2 2 267.417 0.826 20 0 CCADLP C[C@H]1CC[C@@H](CNC2C[C@@H]3COC[C@H](C2)[N@H+]3C)[NH2+]C1 ZINC001246103347 839616884 /nfs/dbraw/zinc/61/68/84/839616884.db2.gz HORXZBYWTBQQLK-UUQIVFDPSA-N 2 2 267.417 0.826 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N[C@H]2CCC[NH2+]C2)C[NH2+]1 ZINC001246129011 839635996 /nfs/dbraw/zinc/63/59/96/839635996.db2.gz OHHWVAZLYOATOR-TUAOUCFPSA-N 2 2 269.389 0.400 20 0 CCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1C[NH2+]CCF ZINC001185789835 844459401 /nfs/dbraw/zinc/45/94/01/844459401.db2.gz VVEMDUGNGWAHAV-OLZOCXBDSA-N 2 2 282.363 0.927 20 0 CCADLP COC(=O)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C[C@@H]1C(=O)OC ZINC001246357186 839820986 /nfs/dbraw/zinc/82/09/86/839820986.db2.gz JVACDSNTBOJBFI-WISYIIOYSA-N 2 2 284.356 0.069 20 0 CCADLP COC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001098492499 839849212 /nfs/dbraw/zinc/84/92/12/839849212.db2.gz TUBAWAVCZKLGHN-SYQHCUMBSA-N 2 2 292.383 0.640 20 0 CCADLP COC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cc[nH+]c1)C2 ZINC001098492499 839849221 /nfs/dbraw/zinc/84/92/21/839849221.db2.gz TUBAWAVCZKLGHN-SYQHCUMBSA-N 2 2 292.383 0.640 20 0 CCADLP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090847771 839851721 /nfs/dbraw/zinc/85/17/21/839851721.db2.gz BLFGOWATWGAOON-KGLIPLIRSA-N 2 2 294.399 0.481 20 0 CCADLP CC(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](O)C1 ZINC001090847771 839851733 /nfs/dbraw/zinc/85/17/33/839851733.db2.gz BLFGOWATWGAOON-KGLIPLIRSA-N 2 2 294.399 0.481 20 0 CCADLP CC(C)C[C@@H](C(=O)NCCC[NH2+]CC(N)=O)n1cc[nH+]c1 ZINC001160528628 839980090 /nfs/dbraw/zinc/98/00/90/839980090.db2.gz SIDMTDNUDHZLCK-LBPRGKRZSA-N 2 2 295.387 0.052 20 0 CCADLP C[NH+](C)Cc1ccc(C(=O)NC23CC[NH+](CC2)C3)o1 ZINC001171226806 840149834 /nfs/dbraw/zinc/14/98/34/840149834.db2.gz FMCVKXWVJXRDGX-UHFFFAOYSA-N 2 2 263.341 0.919 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]CC1CC1 ZINC001171237352 840173119 /nfs/dbraw/zinc/17/31/19/840173119.db2.gz GKLMAZJDXXTEMZ-UHFFFAOYSA-N 2 2 250.346 0.469 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCC[NH2+]C[C@@H]1CCCOC1 ZINC001171238993 840180854 /nfs/dbraw/zinc/18/08/54/840180854.db2.gz WKSPFGHBJNJGQB-ZDUSSCGKSA-N 2 2 294.399 0.485 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+][C@@H](C)c1cnccn1 ZINC001149123183 840329468 /nfs/dbraw/zinc/32/94/68/840329468.db2.gz INSLDVPNPJMEPD-NSHDSACASA-N 2 2 288.355 0.518 20 0 CCADLP C[C@H](C[C@@H](C)[NH2+]CCCO)NC(=O)Cn1cc[nH+]c1 ZINC001146770195 840360194 /nfs/dbraw/zinc/36/01/94/840360194.db2.gz HNIIHXOPIXYKMS-VXGBXAGGSA-N 2 2 268.361 0.138 20 0 CCADLP CC[N@H+](C)CCC(=O)NCC[NH2+][C@H](C)c1nc(C)no1 ZINC001146746223 840366867 /nfs/dbraw/zinc/36/68/67/840366867.db2.gz DNQSJXYDDOTJOU-SNVBAGLBSA-N 2 2 283.376 0.487 20 0 CCADLP CC[N@@H+](C)CCC(=O)NCC[NH2+][C@H](C)c1nc(C)no1 ZINC001146746223 840366872 /nfs/dbraw/zinc/36/68/72/840366872.db2.gz DNQSJXYDDOTJOU-SNVBAGLBSA-N 2 2 283.376 0.487 20 0 CCADLP COCC[NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001147614618 840649461 /nfs/dbraw/zinc/64/94/61/840649461.db2.gz FWHIJPUNOZASBG-UHFFFAOYSA-N 2 2 289.339 0.233 20 0 CCADLP C[C@H]1C[C@H](C[NH2+]CCNC(=O)Cc2c[nH+]cn2C)CCO1 ZINC001147871862 840709233 /nfs/dbraw/zinc/70/92/33/840709233.db2.gz PIPDRRYMXFVNEM-QWHCGFSZSA-N 2 2 294.399 0.484 20 0 CCADLP CCN(CC[NH2+]C[C@@H](C)O)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001273457010 840959042 /nfs/dbraw/zinc/95/90/42/840959042.db2.gz DRWHHPWTCDVYAR-LLVKDONJSA-N 2 2 290.367 0.995 20 0 CCADLP C[NH+]1CCC2(C[C@H]2C(=O)NCCn2cc[nH+]c2)CC1 ZINC001273525711 844593112 /nfs/dbraw/zinc/59/31/12/844593112.db2.gz XDNBUDTWAOASCC-LBPRGKRZSA-N 2 2 262.357 0.731 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](CCCOC(F)(F)F)CCCO1 ZINC000713415677 841130183 /nfs/dbraw/zinc/13/01/83/841130183.db2.gz QZOGUJVCFKTZPE-VIFPVBQESA-N 2 2 256.268 0.963 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CCCOC(F)(F)F)CCCO1 ZINC000713415677 841130189 /nfs/dbraw/zinc/13/01/89/841130189.db2.gz QZOGUJVCFKTZPE-VIFPVBQESA-N 2 2 256.268 0.963 20 0 CCADLP CCC[N@H+](C)CC(=O)NCCNc1cc[nH+]c(C)n1 ZINC001093786679 841456925 /nfs/dbraw/zinc/45/69/25/841456925.db2.gz NDICZSUUDSXTMR-UHFFFAOYSA-N 2 2 265.361 0.655 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCCNc1cc[nH+]c(C)n1 ZINC001093786679 841456932 /nfs/dbraw/zinc/45/69/32/841456932.db2.gz NDICZSUUDSXTMR-UHFFFAOYSA-N 2 2 265.361 0.655 20 0 CCADLP Cc1nc(NCCNC(=O)C[N@H+]2CCC[C@@H]2C)cc[nH+]1 ZINC001094114802 841535073 /nfs/dbraw/zinc/53/50/73/841535073.db2.gz JTHBZCVRBQKHIR-NSHDSACASA-N 2 2 277.372 0.797 20 0 CCADLP Cc1nc(NCCNC(=O)C[N@@H+]2CCC[C@@H]2C)cc[nH+]1 ZINC001094114802 841535085 /nfs/dbraw/zinc/53/50/85/841535085.db2.gz JTHBZCVRBQKHIR-NSHDSACASA-N 2 2 277.372 0.797 20 0 CCADLP Cc1nc(NCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)cc[nH+]1 ZINC001094118968 841535921 /nfs/dbraw/zinc/53/59/21/841535921.db2.gz NRDBFQOMQNALKR-JQWIXIFHSA-N 2 2 277.372 0.511 20 0 CCADLP Cc1nc(NCCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)cc[nH+]1 ZINC001094118968 841535928 /nfs/dbraw/zinc/53/59/28/841535928.db2.gz NRDBFQOMQNALKR-JQWIXIFHSA-N 2 2 277.372 0.511 20 0 CCADLP Cc1[nH+]ccn1-c1cc(Nc2nccnc2C[NH3+])ncn1 ZINC001171445224 841637111 /nfs/dbraw/zinc/63/71/11/841637111.db2.gz YVRDYYWOYQQDJH-UHFFFAOYSA-N 2 2 282.311 0.963 20 0 CCADLP C[NH+]1C(C)(C)CC([N@@H+]2CCO[C@@H](C(N)=O)C2)CC1(C)C ZINC001171639463 841748374 /nfs/dbraw/zinc/74/83/74/841748374.db2.gz KUFKPDNIFWYVHU-GFCCVEGCSA-N 2 2 283.416 0.824 20 0 CCADLP C[NH+]1C(C)(C)CC([N@H+]2CCO[C@@H](C(N)=O)C2)CC1(C)C ZINC001171639463 841748380 /nfs/dbraw/zinc/74/83/80/841748380.db2.gz KUFKPDNIFWYVHU-GFCCVEGCSA-N 2 2 283.416 0.824 20 0 CCADLP COC[C@@H](C)[NH2+]C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001203337761 841783689 /nfs/dbraw/zinc/78/36/89/841783689.db2.gz SVBGVFDGIDNZKX-GFCCVEGCSA-N 2 2 294.399 0.578 20 0 CCADLP CCOC(=O)[C@H](CCC[NH3+])[NH2+][C@H]1CCN(C2CC2)C(=O)C1 ZINC001172005261 841785146 /nfs/dbraw/zinc/78/51/46/841785146.db2.gz MLAUSDMVPNWKPM-AAEUAGOBSA-N 2 2 297.399 0.400 20 0 CCADLP CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1)C2 ZINC001095067776 842018921 /nfs/dbraw/zinc/01/89/21/842018921.db2.gz LZVRIPLJZLWROO-AVGNSLFASA-N 2 2 262.357 0.872 20 0 CCADLP COC(=O)c1ccc(C[C@H](C)[N@H+](CC[NH3+])CCO)cc1 ZINC001173708715 842130866 /nfs/dbraw/zinc/13/08/66/842130866.db2.gz JWXNPAWWZGIIKK-LBPRGKRZSA-N 2 2 280.368 0.657 20 0 CCADLP COC(=O)c1ccc(C[C@H](C)[N@@H+](CC[NH3+])CCO)cc1 ZINC001173708715 842130870 /nfs/dbraw/zinc/13/08/70/842130870.db2.gz JWXNPAWWZGIIKK-LBPRGKRZSA-N 2 2 280.368 0.657 20 0 CCADLP CO[C@H](C)C[NH2+]CCCNC(=O)CCc1c[nH+]cn1C ZINC001175002682 842223805 /nfs/dbraw/zinc/22/38/05/842223805.db2.gz KTPIXXMMWPHPJM-GFCCVEGCSA-N 2 2 282.388 0.484 20 0 CCADLP C[C@H](CCCC[NH2+][C@@H](C)C(N)=O)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175462968 842252112 /nfs/dbraw/zinc/25/21/12/842252112.db2.gz WGQASHYSOVHPBS-MNOVXSKESA-N 2 2 295.387 0.091 20 0 CCADLP C[C@H](CCCC[NH2+]C[C@H](C)O)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175881588 842288615 /nfs/dbraw/zinc/28/86/15/842288615.db2.gz RGICTYZVMNCQLM-NEPJUHHUSA-N 2 2 282.388 0.598 20 0 CCADLP C[C@H](CCCC[NH2+]CCO)NC(=O)CCc1c[nH+]cn1C ZINC001176392764 842362309 /nfs/dbraw/zinc/36/23/09/842362309.db2.gz MLGGADUTYKLFAF-CYBMUJFWSA-N 2 2 296.415 0.610 20 0 CCADLP C[C@H](CCCC[NH2+]CCO)NC(=O)Cn1cc[nH+]c1 ZINC001176829217 842416634 /nfs/dbraw/zinc/41/66/34/842416634.db2.gz JVIPKSBNETXZIT-GFCCVEGCSA-N 2 2 268.361 0.140 20 0 CCADLP C[NH+](C)[C@H](C(=O)NCCC[NH2+]CCF)c1cccnc1 ZINC001177063934 842498452 /nfs/dbraw/zinc/49/84/52/842498452.db2.gz GYDMNERKPCOIBS-ZDUSSCGKSA-N 2 2 282.363 0.750 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCCC[NH2+]C[C@@H]1CCCCO1 ZINC001177405592 842578907 /nfs/dbraw/zinc/57/89/07/842578907.db2.gz PILHYLOUXHRMGW-ZDUSSCGKSA-N 2 2 280.372 0.548 20 0 CCADLP O=C(C[NH+]1CCCC1)NC[C@H]1C[N@H+](CCF)CCCO1 ZINC001150716528 842592611 /nfs/dbraw/zinc/59/26/11/842592611.db2.gz SCMNOOSWGWRGMU-ZDUSSCGKSA-N 2 2 287.379 0.259 20 0 CCADLP O=C(C[NH+]1CCCC1)NC[C@H]1C[N@@H+](CCF)CCCO1 ZINC001150716528 842592619 /nfs/dbraw/zinc/59/26/19/842592619.db2.gz SCMNOOSWGWRGMU-ZDUSSCGKSA-N 2 2 287.379 0.259 20 0 CCADLP Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@@H](C)n1cc[nH+]c1 ZINC001177927051 842714909 /nfs/dbraw/zinc/71/49/09/842714909.db2.gz NVTJXWWVSOXJGG-MRVPVSSYSA-N 2 2 260.301 0.228 20 0 CCADLP C[N@@H+]1CCC[C@H]1CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001177998661 842722890 /nfs/dbraw/zinc/72/28/90/842722890.db2.gz XXHQSKPPQHWBLV-NSHDSACASA-N 2 2 250.346 0.943 20 0 CCADLP C[N@H+]1CCC[C@H]1CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001177998661 842722895 /nfs/dbraw/zinc/72/28/95/842722895.db2.gz XXHQSKPPQHWBLV-NSHDSACASA-N 2 2 250.346 0.943 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCCCCC[NH2+]CCO ZINC001179776826 843042366 /nfs/dbraw/zinc/04/23/66/843042366.db2.gz JUJKQNXFKUEJAN-ZDUSSCGKSA-N 2 2 296.415 0.847 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCCCCC[NH2+]CCO ZINC001179776826 843042379 /nfs/dbraw/zinc/04/23/79/843042379.db2.gz JUJKQNXFKUEJAN-ZDUSSCGKSA-N 2 2 296.415 0.847 20 0 CCADLP COCCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001180279792 843142062 /nfs/dbraw/zinc/14/20/62/843142062.db2.gz KVRDQUGBGWWDFY-STQMWFEESA-N 2 2 280.372 0.499 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cc1cc[nH+]c(N)c1 ZINC001181247845 843427579 /nfs/dbraw/zinc/42/75/79/843427579.db2.gz BOPIEPSPBKKTRF-WDEREUQCSA-N 2 2 262.357 0.757 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)Cc1cc[nH+]c(N)c1 ZINC001181247845 843427583 /nfs/dbraw/zinc/42/75/83/843427583.db2.gz BOPIEPSPBKKTRF-WDEREUQCSA-N 2 2 262.357 0.757 20 0 CCADLP Nc1cc(CCCCNC(=O)Cn2cc[nH+]c2)cc[nH+]1 ZINC001181969895 843673435 /nfs/dbraw/zinc/67/34/35/843673435.db2.gz XGFKQTNKUSKXRY-UHFFFAOYSA-N 2 2 273.340 0.999 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H]1CCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC001182220659 843757153 /nfs/dbraw/zinc/75/71/53/843757153.db2.gz OMFLQURZRILCGU-NWDGAFQWSA-N 2 2 280.372 0.568 20 0 CCADLP CCOC(=O)c1c(C)[nH]c(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1C ZINC001206512579 843810726 /nfs/dbraw/zinc/81/07/26/843810726.db2.gz PSGYAINGLOUXMO-AAEUAGOBSA-N 2 2 295.383 0.560 20 0 CCADLP CCOC(=O)c1c(C)[nH]c(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c1C ZINC001206512579 843810737 /nfs/dbraw/zinc/81/07/37/843810737.db2.gz PSGYAINGLOUXMO-AAEUAGOBSA-N 2 2 295.383 0.560 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ncccn2)C1 ZINC001187291091 844687265 /nfs/dbraw/zinc/68/72/65/844687265.db2.gz HKKNPRJDOBXCNS-CYBMUJFWSA-N 2 2 291.399 0.509 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ncccn2)C1 ZINC001187291091 844687268 /nfs/dbraw/zinc/68/72/68/844687268.db2.gz HKKNPRJDOBXCNS-CYBMUJFWSA-N 2 2 291.399 0.509 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001188353442 844882366 /nfs/dbraw/zinc/88/23/66/844882366.db2.gz DMYZRVHIAYJEHP-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP COC[C@@H](C)[NH+]1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC000076615008 845073196 /nfs/dbraw/zinc/07/31/96/845073196.db2.gz OPIBOGHOEZUASU-CYBMUJFWSA-N 2 2 271.405 0.506 20 0 CCADLP COC[C@@H](C)[NH+]1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC000076615008 845073199 /nfs/dbraw/zinc/07/31/99/845073199.db2.gz OPIBOGHOEZUASU-CYBMUJFWSA-N 2 2 271.405 0.506 20 0 CCADLP COCC[N@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001190546263 845424897 /nfs/dbraw/zinc/42/48/97/845424897.db2.gz DFCVZDQYJZVPBI-CYBMUJFWSA-N 2 2 280.372 0.521 20 0 CCADLP COCC[N@@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001190546263 845424903 /nfs/dbraw/zinc/42/49/03/845424903.db2.gz DFCVZDQYJZVPBI-CYBMUJFWSA-N 2 2 280.372 0.521 20 0 CCADLP COCC[N@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001190546263 845424911 /nfs/dbraw/zinc/42/49/11/845424911.db2.gz DFCVZDQYJZVPBI-CYBMUJFWSA-N 2 2 280.372 0.521 20 0 CCADLP COCC[N@@H+](C)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001190546263 845424914 /nfs/dbraw/zinc/42/49/14/845424914.db2.gz DFCVZDQYJZVPBI-CYBMUJFWSA-N 2 2 280.372 0.521 20 0 CCADLP COCCC[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192550454 845865566 /nfs/dbraw/zinc/86/55/66/845865566.db2.gz HZSZPSHCCQHGSZ-ZDUSSCGKSA-N 2 2 280.372 0.521 20 0 CCADLP COCCC[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001192550454 845865574 /nfs/dbraw/zinc/86/55/74/845865574.db2.gz HZSZPSHCCQHGSZ-ZDUSSCGKSA-N 2 2 280.372 0.521 20 0 CCADLP Cc1cncc(C[N@H+](C)CCN2CC[NH+](C)CC2)n1 ZINC001203173301 845899055 /nfs/dbraw/zinc/89/90/55/845899055.db2.gz GGSGULSVIATNPB-UHFFFAOYSA-N 2 2 263.389 0.464 20 0 CCADLP Cc1cncc(C[N@@H+](C)CCN2CC[NH+](C)CC2)n1 ZINC001203173301 845899068 /nfs/dbraw/zinc/89/90/68/845899068.db2.gz GGSGULSVIATNPB-UHFFFAOYSA-N 2 2 263.389 0.464 20 0 CCADLP CO[C@H](C)C[N@H+](C)[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193695391 846141641 /nfs/dbraw/zinc/14/16/41/846141641.db2.gz IBIWIJASSKMNNE-YPMHNXCESA-N 2 2 294.399 0.828 20 0 CCADLP CO[C@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001193695391 846141649 /nfs/dbraw/zinc/14/16/49/846141649.db2.gz IBIWIJASSKMNNE-YPMHNXCESA-N 2 2 294.399 0.828 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@@H]([N@H+](C)CCCO)C1 ZINC001193795031 846151669 /nfs/dbraw/zinc/15/16/69/846151669.db2.gz HJRJDHBUZKJEMG-CQSZACIVSA-N 2 2 294.399 0.268 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@@H]([N@@H+](C)CCCO)C1 ZINC001193795031 846151675 /nfs/dbraw/zinc/15/16/75/846151675.db2.gz HJRJDHBUZKJEMG-CQSZACIVSA-N 2 2 294.399 0.268 20 0 CCADLP C[C@@H](O)CCC[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194449848 846292741 /nfs/dbraw/zinc/29/27/41/846292741.db2.gz XOFBIXOTKBRDGC-ZIAGYGMSSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@@H](O)CCC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194449848 846292744 /nfs/dbraw/zinc/29/27/44/846292744.db2.gz XOFBIXOTKBRDGC-ZIAGYGMSSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194448294 846302953 /nfs/dbraw/zinc/30/29/53/846302953.db2.gz ARTZEPPGIGJJFK-ZIAGYGMSSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001194448294 846302963 /nfs/dbraw/zinc/30/29/63/846302963.db2.gz ARTZEPPGIGJJFK-ZIAGYGMSSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@H](CC(=O)N[C@@H]1C[N@H+](CCCF)C[C@H]1O)n1cc[nH+]c1 ZINC001196500370 846765735 /nfs/dbraw/zinc/76/57/35/846765735.db2.gz SOAQAQCEYORXTM-JHJVBQTASA-N 2 2 298.362 0.355 20 0 CCADLP C[C@H](CC(=O)N[C@@H]1C[N@@H+](CCCF)C[C@H]1O)n1cc[nH+]c1 ZINC001196500370 846765741 /nfs/dbraw/zinc/76/57/41/846765741.db2.gz SOAQAQCEYORXTM-JHJVBQTASA-N 2 2 298.362 0.355 20 0 CCADLP CC(C)C[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCCO1 ZINC001201727493 847808043 /nfs/dbraw/zinc/80/80/43/847808043.db2.gz XRGMKHDUFQRJNC-ZDUSSCGKSA-N 2 2 294.399 0.815 20 0 CCADLP CC(C)[N@@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001273922296 847843215 /nfs/dbraw/zinc/84/32/15/847843215.db2.gz QIDGBVZBKPZSBS-HNNXBMFYSA-N 2 2 292.383 0.595 20 0 CCADLP CC(C)[N@H+]1CC[C@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001273922296 847843220 /nfs/dbraw/zinc/84/32/20/847843220.db2.gz QIDGBVZBKPZSBS-HNNXBMFYSA-N 2 2 292.383 0.595 20 0 CCADLP CC(C)C[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCCO1 ZINC001202217058 847868802 /nfs/dbraw/zinc/86/88/02/847868802.db2.gz NKYRNVPWHRINMY-AWEZNQCLSA-N 2 2 294.399 0.746 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO ZINC001110641795 847936018 /nfs/dbraw/zinc/93/60/18/847936018.db2.gz XCRAIHMSOHXCMJ-UPJWGTAASA-N 2 2 278.356 0.056 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001110641795 847936023 /nfs/dbraw/zinc/93/60/23/847936023.db2.gz XCRAIHMSOHXCMJ-UPJWGTAASA-N 2 2 278.356 0.056 20 0 CCADLP CCn1nc(C)c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1C ZINC001205952879 847991443 /nfs/dbraw/zinc/99/14/43/847991443.db2.gz DSLFNKPDIKLWGF-CHWSQXEVSA-N 2 2 252.362 0.414 20 0 CCADLP CCn1nc(C)c(C[N@H+]2CC[C@@H]([NH3+])[C@H](O)C2)c1C ZINC001205952879 847991449 /nfs/dbraw/zinc/99/14/49/847991449.db2.gz DSLFNKPDIKLWGF-CHWSQXEVSA-N 2 2 252.362 0.414 20 0 CCADLP CO[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]c[nH+]1 ZINC001114384127 848029897 /nfs/dbraw/zinc/02/98/97/848029897.db2.gz FJNWCFMVFCXLIL-MUYACECFSA-N 2 2 292.383 0.424 20 0 CCADLP CO[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH]c[nH+]1 ZINC001114384127 848029903 /nfs/dbraw/zinc/02/99/03/848029903.db2.gz FJNWCFMVFCXLIL-MUYACECFSA-N 2 2 292.383 0.424 20 0 CCADLP CO[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]c[nH]1 ZINC001114384127 848029909 /nfs/dbraw/zinc/02/99/09/848029909.db2.gz FJNWCFMVFCXLIL-MUYACECFSA-N 2 2 292.383 0.424 20 0 CCADLP CO[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]c[nH]1 ZINC001114384127 848029912 /nfs/dbraw/zinc/02/99/12/848029912.db2.gz FJNWCFMVFCXLIL-MUYACECFSA-N 2 2 292.383 0.424 20 0 CCADLP CCOC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](CC)CC)C1 ZINC001253189062 848153491 /nfs/dbraw/zinc/15/34/91/848153491.db2.gz FKYFLGAPHIBGJH-OLZOCXBDSA-N 2 2 272.389 0.574 20 0 CCADLP CCOC(=O)[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](CC)CC)C1 ZINC001253189062 848153488 /nfs/dbraw/zinc/15/34/88/848153488.db2.gz FKYFLGAPHIBGJH-OLZOCXBDSA-N 2 2 272.389 0.574 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@@H](O)c1cccc(O)c1 ZINC001253207978 848160236 /nfs/dbraw/zinc/16/02/36/848160236.db2.gz MFRHGAGHMLZBSD-HUUCEWRRSA-N 2 2 282.384 0.718 20 0 CCADLP CO[C@@H](C)C[NH2+]C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001202667025 848206351 /nfs/dbraw/zinc/20/63/51/848206351.db2.gz FIVYQXSBSVNNLY-NSHDSACASA-N 2 2 280.372 0.568 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000717300062 848223245 /nfs/dbraw/zinc/22/32/45/848223245.db2.gz ZBBFRZAUKBUZDB-OLZOCXBDSA-N 2 2 256.321 0.371 20 0 CCADLP Cc1cnc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001274578200 848510195 /nfs/dbraw/zinc/51/01/95/848510195.db2.gz GNLIBJJEIMTMEP-DHCBQETCSA-N 2 2 292.383 0.697 20 0 CCADLP Cc1cnc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001274578200 848510199 /nfs/dbraw/zinc/51/01/99/848510199.db2.gz GNLIBJJEIMTMEP-DHCBQETCSA-N 2 2 292.383 0.697 20 0 CCADLP CC(C)C[N@H+]1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001275056151 848622694 /nfs/dbraw/zinc/62/26/94/848622694.db2.gz QHKSTCSYWUQCCT-CABCVRRESA-N 2 2 278.400 0.924 20 0 CCADLP CC(C)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001275056151 848622699 /nfs/dbraw/zinc/62/26/99/848622699.db2.gz QHKSTCSYWUQCCT-CABCVRRESA-N 2 2 278.400 0.924 20 0 CCADLP CC[N@@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001275079001 848628979 /nfs/dbraw/zinc/62/89/79/848628979.db2.gz GPIYNCMOJXEVKA-QLFBSQMISA-N 2 2 293.411 0.402 20 0 CCADLP CC[N@H+]1C[C@@H]2COC[C@H](C1)N2C(=O)[C@H]1CC2CC[NH+]1CC2 ZINC001275079001 848628990 /nfs/dbraw/zinc/62/89/90/848628990.db2.gz GPIYNCMOJXEVKA-QLFBSQMISA-N 2 2 293.411 0.402 20 0 CCADLP c1cn(CCN2C[C@H]3C[C@@H](C2)[N@H+](C[C@@H]2CCOC2)C3)c[nH+]1 ZINC001275172696 848655984 /nfs/dbraw/zinc/65/59/84/848655984.db2.gz STTUZONRJROYOT-XHSDSOJGSA-N 2 2 290.411 0.926 20 0 CCADLP c1cn(CCN2C[C@H]3C[C@@H](C2)[N@@H+](C[C@@H]2CCOC2)C3)c[nH+]1 ZINC001275172696 848655985 /nfs/dbraw/zinc/65/59/85/848655985.db2.gz STTUZONRJROYOT-XHSDSOJGSA-N 2 2 290.411 0.926 20 0 CCADLP COCCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001275209595 848668484 /nfs/dbraw/zinc/66/84/84/848668484.db2.gz TVZMIPQSNMXKJC-STQMWFEESA-N 2 2 294.399 0.576 20 0 CCADLP C[C@@H](O)C[N@H+](C)C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001275573869 848764699 /nfs/dbraw/zinc/76/46/99/848764699.db2.gz JPPRGNQXOLXTAZ-GHMZBOCLSA-N 2 2 268.361 0.160 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294.399 0.958 20 0 CCADLP COC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001052824641 852659520 /nfs/dbraw/zinc/65/95/20/852659520.db2.gz ZNZJGJRTWDDTJZ-CHWSQXEVSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001052869031 852665715 /nfs/dbraw/zinc/66/57/15/852665715.db2.gz AEACPVZEJCMVDF-QWHCGFSZSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001052869031 852665718 /nfs/dbraw/zinc/66/57/18/852665718.db2.gz AEACPVZEJCMVDF-QWHCGFSZSA-N 2 2 294.399 0.314 20 0 CCADLP CC(C)[C@@H](C(=O)N1CCOC2(C[NH+](C(C)C)C2)C1)[NH+](C)C ZINC001053296230 852724007 /nfs/dbraw/zinc/72/40/07/852724007.db2.gz FNCNWVKDROQACD-AWEZNQCLSA-N 2 2 297.443 0.894 20 0 CCADLP CC(C)[NH+]1CC2(C1)CN(C(=O)C[N@@H+]1CC[C@H](C)C1)CCO2 ZINC001053429012 852742944 /nfs/dbraw/zinc/74/29/44/852742944.db2.gz CGVMYDZARBJFQQ-AWEZNQCLSA-N 2 2 295.427 0.650 20 0 CCADLP CC(C)[NH+]1CC2(C1)CN(C(=O)C[N@H+]1CC[C@H](C)C1)CCO2 ZINC001053429012 852742953 /nfs/dbraw/zinc/74/29/53/852742953.db2.gz CGVMYDZARBJFQQ-AWEZNQCLSA-N 2 2 295.427 0.650 20 0 CCADLP CC(C)[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)CO2 ZINC001053755231 852806160 /nfs/dbraw/zinc/80/61/60/852806160.db2.gz AEEFHOGKABETRF-STQMWFEESA-N 2 2 281.400 0.449 20 0 CCADLP CC(C)[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)CO2 ZINC001053755231 852806167 /nfs/dbraw/zinc/80/61/67/852806167.db2.gz AEEFHOGKABETRF-STQMWFEESA-N 2 2 281.400 0.449 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)CO2 ZINC001053803523 852826539 /nfs/dbraw/zinc/82/65/39/852826539.db2.gz UIJVYBBWWNBPSL-UONOGXRCSA-N 2 2 293.411 0.308 20 0 CCADLP CC[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001050183804 853330850 /nfs/dbraw/zinc/33/08/50/853330850.db2.gz SOMKCZWIWWOVHA-GXTWGEPZSA-N 2 2 276.384 0.905 20 0 CCADLP CC[N@H+]1C[C@@H]2CCCN(C(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001050183804 853330854 /nfs/dbraw/zinc/33/08/54/853330854.db2.gz SOMKCZWIWWOVHA-GXTWGEPZSA-N 2 2 276.384 0.905 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1COCC[NH+]1CC1CCC1 ZINC001050849087 853461399 /nfs/dbraw/zinc/46/13/99/853461399.db2.gz SMAAKTRRKUHLIC-GJZGRUSLSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1COCC[NH+]1CC1CCC1 ZINC001050849087 853461402 /nfs/dbraw/zinc/46/14/02/853461402.db2.gz SMAAKTRRKUHLIC-GJZGRUSLSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1COCC[N@@H+]1CC1CCC1 ZINC001050849087 853461408 /nfs/dbraw/zinc/46/14/08/853461408.db2.gz SMAAKTRRKUHLIC-GJZGRUSLSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1COCC[N@H+]1CC1CCC1 ZINC001050849087 853461410 /nfs/dbraw/zinc/46/14/10/853461410.db2.gz SMAAKTRRKUHLIC-GJZGRUSLSA-N 2 2 295.427 0.698 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2COCC[NH+]2CC)CC[N@@H+]1C ZINC001050930784 853489242 /nfs/dbraw/zinc/48/92/42/853489242.db2.gz LAZBKHNIKSGXNZ-HZSPNIEDSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2COCC[NH+]2CC)CC[N@H+]1C ZINC001050930784 853489247 /nfs/dbraw/zinc/48/92/47/853489247.db2.gz LAZBKHNIKSGXNZ-HZSPNIEDSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2COCC[N@@H+]2CC)CC[NH+]1C ZINC001050930784 853489250 /nfs/dbraw/zinc/48/92/50/853489250.db2.gz LAZBKHNIKSGXNZ-HZSPNIEDSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2COCC[N@H+]2CC)CC[NH+]1C ZINC001050930784 853489257 /nfs/dbraw/zinc/48/92/57/853489257.db2.gz LAZBKHNIKSGXNZ-HZSPNIEDSA-N 2 2 283.416 0.554 20 0 CCADLP CCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001051086149 853522301 /nfs/dbraw/zinc/52/23/01/853522301.db2.gz JMWAGPAURZGUIZ-SOUVJXGZSA-N 2 2 297.443 0.944 20 0 CCADLP CCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001051086149 853522311 /nfs/dbraw/zinc/52/23/11/853522311.db2.gz JMWAGPAURZGUIZ-SOUVJXGZSA-N 2 2 297.443 0.944 20 0 CCADLP CCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001051086149 853522317 /nfs/dbraw/zinc/52/23/17/853522317.db2.gz JMWAGPAURZGUIZ-SOUVJXGZSA-N 2 2 297.443 0.944 20 0 CCADLP CCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001051086149 853522325 /nfs/dbraw/zinc/52/23/25/853522325.db2.gz JMWAGPAURZGUIZ-SOUVJXGZSA-N 2 2 297.443 0.944 20 0 CCADLP O=C(N[C@H]1CCC[N@@H+](CCO)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001052463150 853753364 /nfs/dbraw/zinc/75/33/64/853753364.db2.gz RFBVBWVHIMBLPP-YNEHKIRRSA-N 2 2 292.383 0.476 20 0 CCADLP O=C(N[C@H]1CCC[N@H+](CCO)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001052463150 853753371 /nfs/dbraw/zinc/75/33/71/853753371.db2.gz RFBVBWVHIMBLPP-YNEHKIRRSA-N 2 2 292.383 0.476 20 0 CCADLP O=C(N[C@H]1CCC[N@@H+](CCO)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001052463150 853753377 /nfs/dbraw/zinc/75/33/77/853753377.db2.gz RFBVBWVHIMBLPP-YNEHKIRRSA-N 2 2 292.383 0.476 20 0 CCADLP O=C(N[C@H]1CCC[N@H+](CCO)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001052463150 853753380 /nfs/dbraw/zinc/75/33/80/853753380.db2.gz RFBVBWVHIMBLPP-YNEHKIRRSA-N 2 2 292.383 0.476 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCc1nnc2ccccn21 ZINC000133437643 853840797 /nfs/dbraw/zinc/84/07/97/853840797.db2.gz XVVVSHMXSNBOFD-OLZOCXBDSA-N 2 2 289.383 0.628 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC000386299568 853927793 /nfs/dbraw/zinc/92/77/93/853927793.db2.gz FMFXBKCIRMRVDC-RYUDHWBXSA-N 2 2 250.346 0.730 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1CC[NH3+] ZINC000388793902 853980400 /nfs/dbraw/zinc/98/04/00/853980400.db2.gz SFEIOOWXXUMOLU-KBPBESRZSA-N 3 2 273.421 0.129 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1CC[NH3+] ZINC000388793902 853980403 /nfs/dbraw/zinc/98/04/03/853980403.db2.gz SFEIOOWXXUMOLU-KBPBESRZSA-N 3 2 273.421 0.129 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000388793902 853980405 /nfs/dbraw/zinc/98/04/05/853980405.db2.gz SFEIOOWXXUMOLU-KBPBESRZSA-N 3 2 273.421 0.129 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000388793902 853980407 /nfs/dbraw/zinc/98/04/07/853980407.db2.gz SFEIOOWXXUMOLU-KBPBESRZSA-N 3 2 273.421 0.129 20 0 CCADLP C#CCC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000073228524 854071226 /nfs/dbraw/zinc/07/12/26/854071226.db2.gz VRVRRUBGDMBKOA-AWEZNQCLSA-N 2 2 263.385 0.638 20 0 CCADLP C#CCC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000073228524 854071228 /nfs/dbraw/zinc/07/12/28/854071228.db2.gz VRVRRUBGDMBKOA-AWEZNQCLSA-N 2 2 263.385 0.638 20 0 CCADLP [NH3+]CCCCCC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000394386706 854175749 /nfs/dbraw/zinc/17/57/49/854175749.db2.gz AAOGIDKWXMIVNU-ZDUSSCGKSA-N 2 2 268.405 0.012 20 0 CCADLP [NH3+]CCCCCC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000394386706 854175752 /nfs/dbraw/zinc/17/57/52/854175752.db2.gz AAOGIDKWXMIVNU-ZDUSSCGKSA-N 2 2 268.405 0.012 20 0 CCADLP CCC[N@@H+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001073128261 854535557 /nfs/dbraw/zinc/53/55/57/854535557.db2.gz XMYVHPPNGKBRBO-UHFFFAOYSA-N 2 2 276.384 0.907 20 0 CCADLP CCC[N@H+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001073128261 854535567 /nfs/dbraw/zinc/53/55/67/854535567.db2.gz XMYVHPPNGKBRBO-UHFFFAOYSA-N 2 2 276.384 0.907 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCF)CCCO1 ZINC001073554588 854592015 /nfs/dbraw/zinc/59/20/15/854592015.db2.gz JMKBOVYHZRZPKP-OLZOCXBDSA-N 2 2 287.379 0.257 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCF)CCCO1 ZINC001073554588 854592019 /nfs/dbraw/zinc/59/20/19/854592019.db2.gz JMKBOVYHZRZPKP-OLZOCXBDSA-N 2 2 287.379 0.257 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCF)CCCO1 ZINC001073554588 854592024 /nfs/dbraw/zinc/59/20/24/854592024.db2.gz JMKBOVYHZRZPKP-OLZOCXBDSA-N 2 2 287.379 0.257 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCF)CCCO1 ZINC001073554588 854592027 /nfs/dbraw/zinc/59/20/27/854592027.db2.gz JMKBOVYHZRZPKP-OLZOCXBDSA-N 2 2 287.379 0.257 20 0 CCADLP CC(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)[C@H]1C ZINC001074581848 854753029 /nfs/dbraw/zinc/75/30/29/854753029.db2.gz SNUBDSSAUOXSLM-IHRRRGAJSA-N 2 2 283.416 0.552 20 0 CCADLP CC(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H]1C ZINC001074581848 854753033 /nfs/dbraw/zinc/75/30/33/854753033.db2.gz SNUBDSSAUOXSLM-IHRRRGAJSA-N 2 2 283.416 0.552 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CCF)CCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001074719662 854770488 /nfs/dbraw/zinc/77/04/88/854770488.db2.gz YSAWKFBRGOKFGQ-SCRDCRAPSA-N 2 2 294.374 0.994 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001074781404 854783031 /nfs/dbraw/zinc/78/30/31/854783031.db2.gz HFFUAWULWMXQLL-AVGNSLFASA-N 2 2 280.372 0.233 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001074867772 854793303 /nfs/dbraw/zinc/79/33/03/854793303.db2.gz DATGVZLZTVAKCC-SRVKXCTJSA-N 2 2 292.383 0.401 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[N@H+](CCCF)C[C@H]1O ZINC001099940093 855039362 /nfs/dbraw/zinc/03/93/62/855039362.db2.gz PZODTDWTWAJFNQ-CHWSQXEVSA-N 2 2 298.362 0.184 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CCCF)C[C@H]1O ZINC001099940093 855039352 /nfs/dbraw/zinc/03/93/52/855039352.db2.gz PZODTDWTWAJFNQ-CHWSQXEVSA-N 2 2 298.362 0.184 20 0 CCADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](C)C(=O)N[C@@H](C)C(N)=O ZINC001255954072 855081287 /nfs/dbraw/zinc/08/12/87/855081287.db2.gz ABVOHEUIRAARLZ-SRVKXCTJSA-N 2 2 286.420 0.075 20 0 CCADLP CC(C)[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@H](O)C1 ZINC001100094005 855097668 /nfs/dbraw/zinc/09/76/68/855097668.db2.gz FWDCVRLWOHZGJA-ZIAGYGMSSA-N 2 2 294.399 0.313 20 0 CCADLP CC(C)[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@H](O)C1 ZINC001100094005 855097675 /nfs/dbraw/zinc/09/76/75/855097675.db2.gz FWDCVRLWOHZGJA-ZIAGYGMSSA-N 2 2 294.399 0.313 20 0 CCADLP COCCC[NH2+]C1CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001100550667 855185226 /nfs/dbraw/zinc/18/52/26/855185226.db2.gz WFVYKBZJLDRIKE-UHFFFAOYSA-N 2 2 294.399 0.794 20 0 CCADLP CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)c1cc[nH+]c(C)n1 ZINC001100541948 855185297 /nfs/dbraw/zinc/18/52/97/855185297.db2.gz HNNKNLZZPAXBNZ-ZDUSSCGKSA-N 2 2 291.399 0.679 20 0 CCADLP CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)c1cc[nH+]c(C)n1 ZINC001100541948 855185300 /nfs/dbraw/zinc/18/53/00/855185300.db2.gz HNNKNLZZPAXBNZ-ZDUSSCGKSA-N 2 2 291.399 0.679 20 0 CCADLP C[C@H](O)CCC[NH2+]C1CC(CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001100789588 855225967 /nfs/dbraw/zinc/22/59/67/855225967.db2.gz FDDLMYSBMADJKU-HIFPTAJRSA-N 2 2 294.399 0.598 20 0 CCADLP C[C@H](O)CCC[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001101071446 855259813 /nfs/dbraw/zinc/25/98/13/855259813.db2.gz ISJDRWWXIGEHHC-HSBZDZAISA-N 2 2 294.399 0.529 20 0 CCADLP Cc1[nH+]cc(CNC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)n1C ZINC000689748068 855286626 /nfs/dbraw/zinc/28/66/26/855286626.db2.gz ZDLITSYVLMAUOZ-GXTWGEPZSA-N 2 2 264.373 0.681 20 0 CCADLP Cc1[nH+]cc(CNC[C@@H]2C[N@H+]3CCC[C@H]3CO2)n1C ZINC000689748068 855286628 /nfs/dbraw/zinc/28/66/28/855286628.db2.gz ZDLITSYVLMAUOZ-GXTWGEPZSA-N 2 2 264.373 0.681 20 0 CCADLP Cc1nc(NCCN(C)C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)cc[nH+]1 ZINC001101971580 855400782 /nfs/dbraw/zinc/40/07/82/855400782.db2.gz XYLVVALTEGLWAB-DGCLKSJQSA-N 2 2 291.399 0.853 20 0 CCADLP Cc1nc(NCCN(C)C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)cc[nH+]1 ZINC001101971580 855400785 /nfs/dbraw/zinc/40/07/85/855400785.db2.gz XYLVVALTEGLWAB-DGCLKSJQSA-N 2 2 291.399 0.853 20 0 CCADLP C[C@H](CC(=O)NC[C@@H]1C[N@H+](CCO)C[C@H]1C)n1cc[nH+]c1 ZINC001102414553 855433213 /nfs/dbraw/zinc/43/32/13/855433213.db2.gz ITWXJLARNPMJFE-MGPQQGTHSA-N 2 2 294.399 0.511 20 0 CCADLP C[C@H](CC(=O)NC[C@@H]1C[N@@H+](CCO)C[C@H]1C)n1cc[nH+]c1 ZINC001102414553 855433222 /nfs/dbraw/zinc/43/32/22/855433222.db2.gz ITWXJLARNPMJFE-MGPQQGTHSA-N 2 2 294.399 0.511 20 0 CCADLP CO[C@@H](C)C[N@H+]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102406416 855434030 /nfs/dbraw/zinc/43/40/30/855434030.db2.gz RSBKDPVVYXNLRI-FRRDWIJNSA-N 2 2 294.399 0.671 20 0 CCADLP CO[C@@H](C)C[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)[C@H](C)C1 ZINC001102406416 855434036 /nfs/dbraw/zinc/43/40/36/855434036.db2.gz RSBKDPVVYXNLRI-FRRDWIJNSA-N 2 2 294.399 0.671 20 0 CCADLP COCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001103779341 855529372 /nfs/dbraw/zinc/52/93/72/855529372.db2.gz YPMLTEAAQVPVMC-ZIAGYGMSSA-N 2 2 294.399 0.604 20 0 CCADLP COCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001103779341 855529377 /nfs/dbraw/zinc/52/93/77/855529377.db2.gz YPMLTEAAQVPVMC-ZIAGYGMSSA-N 2 2 294.399 0.604 20 0 CCADLP O=C1NC[C@H]2C[N@H+](C[C@@H]3CCCC[NH2+]C3)CCN12 ZINC000697084991 855614975 /nfs/dbraw/zinc/61/49/75/855614975.db2.gz BMJPEFJEAJLMGB-NEPJUHHUSA-N 2 2 252.362 0.086 20 0 CCADLP O=C1NC[C@H]2C[N@@H+](C[C@@H]3CCCC[NH2+]C3)CCN12 ZINC000697084991 855614980 /nfs/dbraw/zinc/61/49/80/855614980.db2.gz BMJPEFJEAJLMGB-NEPJUHHUSA-N 2 2 252.362 0.086 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)Nc2cc(C)[nH+]c(C)c2)C1 ZINC001117441506 855982907 /nfs/dbraw/zinc/98/29/07/855982907.db2.gz RHNBHHWCVXLCTK-ZDUSSCGKSA-N 2 2 263.341 0.780 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)Nc2cc(C)[nH+]c(C)c2)C1 ZINC001117441506 855982912 /nfs/dbraw/zinc/98/29/12/855982912.db2.gz RHNBHHWCVXLCTK-ZDUSSCGKSA-N 2 2 263.341 0.780 20 0 CCADLP C[C@H](NC(=O)[C@H](C)n1cc[nH+]c1)[C@@H]1CCC[NH2+]C1 ZINC001118218542 856209911 /nfs/dbraw/zinc/20/99/11/856209911.db2.gz LETOUFHMICBLHY-SDDRHHMPSA-N 2 2 250.346 0.948 20 0 CCADLP C[C@@H]1[NH2+]CCN(C(=O)NCc2c[nH+]cn2C)[C@H]1C ZINC001119482632 856702047 /nfs/dbraw/zinc/70/20/47/856702047.db2.gz LDVDIVVNFPUFAG-UWVGGRQHSA-N 2 2 251.334 0.312 20 0 CCADLP O=C(NCC1([NH2+]Cc2ccon2)CC1)C12CC[NH+](CC1)C2 ZINC001392948413 912281299 /nfs/dbraw/zinc/28/12/99/912281299.db2.gz KGTKHMINCYUNCQ-UHFFFAOYSA-N 2 2 290.367 0.509 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1([NH2+]Cc2cccnc2)CC1 ZINC001392961088 912288432 /nfs/dbraw/zinc/28/84/32/912288432.db2.gz ADNGAIYNOMFNAD-UHFFFAOYSA-N 2 2 285.351 0.717 20 0 CCADLP CO[C@H](C)C[NH+]1CCC(C)(NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001393062661 912364987 /nfs/dbraw/zinc/36/49/87/912364987.db2.gz AAPCJXWEEQGVER-GFCCVEGCSA-N 2 2 294.399 0.958 20 0 CCADLP COCC[NH+]1CCC(C)(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001393071936 912372784 /nfs/dbraw/zinc/37/27/84/912372784.db2.gz ZDUUBJHCRBHOLG-UHFFFAOYSA-N 2 2 294.399 0.580 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)N[C@@H]2C=CCC2)CC1 ZINC001336932109 921111296 /nfs/dbraw/zinc/11/12/96/921111296.db2.gz DAAJNAZBXZYDQE-GFCCVEGCSA-N 2 2 252.362 0.427 20 0 CCADLP C[C@]1(CNC(=O)Cc2c[nH]c[nH+]2)CCC[N@H+](CCCO)C1 ZINC001393207577 912433395 /nfs/dbraw/zinc/43/33/95/912433395.db2.gz WBRVQDFEBWNSPU-OAHLLOKOSA-N 2 2 294.399 0.553 20 0 CCADLP C[C@]1(CNC(=O)Cc2c[nH]c[nH+]2)CCC[N@@H+](CCCO)C1 ZINC001393207577 912433401 /nfs/dbraw/zinc/43/34/01/912433401.db2.gz WBRVQDFEBWNSPU-OAHLLOKOSA-N 2 2 294.399 0.553 20 0 CCADLP C[C@]1(C[NH2+]CCF)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001324831551 913055094 /nfs/dbraw/zinc/05/50/94/913055094.db2.gz CVSPTBPEGJUNTI-CYBMUJFWSA-N 2 2 268.336 0.681 20 0 CCADLP C[C@@H](CN(C)C(=O)CCn1cc[nH+]c1)[NH2+]C[C@H]1CCOC1 ZINC001394510739 913226758 /nfs/dbraw/zinc/22/67/58/913226758.db2.gz ZZAXLHGJJNYGSK-UONOGXRCSA-N 2 2 294.399 0.746 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N(C)C[C@H](C)[NH2+]C[C@H](C)O ZINC001394505802 913228840 /nfs/dbraw/zinc/22/88/40/913228840.db2.gz YROYFQFPXSGCJQ-RYUDHWBXSA-N 2 2 295.383 0.450 20 0 CCADLP C[C@H](CC(=O)NCCC1(C[NH2+]CCO)CC1)n1cc[nH+]c1 ZINC001167348522 891558417 /nfs/dbraw/zinc/55/84/17/891558417.db2.gz KTYZDQLOCIKNGD-CYBMUJFWSA-N 2 2 294.399 0.703 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001481096510 892158746 /nfs/dbraw/zinc/15/87/46/892158746.db2.gz RUMXMRBIPKHXNO-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001481096510 892158757 /nfs/dbraw/zinc/15/87/57/892158757.db2.gz RUMXMRBIPKHXNO-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001481096510 892158761 /nfs/dbraw/zinc/15/87/61/892158761.db2.gz RUMXMRBIPKHXNO-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001481096510 892158770 /nfs/dbraw/zinc/15/87/70/892158770.db2.gz RUMXMRBIPKHXNO-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP CCC[N@H+](CCO)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001481140778 892218120 /nfs/dbraw/zinc/21/81/20/892218120.db2.gz VTOHVBKPUGOZQP-ZDUSSCGKSA-N 2 2 294.399 0.266 20 0 CCADLP CCC[N@@H+](CCO)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001481140778 892218134 /nfs/dbraw/zinc/21/81/34/892218134.db2.gz VTOHVBKPUGOZQP-ZDUSSCGKSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]CCCF ZINC001482143886 893436631 /nfs/dbraw/zinc/43/66/31/893436631.db2.gz GOQLVAMAZFJFLF-JTQLQIEISA-N 2 2 256.325 0.654 20 0 CCADLP COCC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001284243957 893485103 /nfs/dbraw/zinc/48/51/03/893485103.db2.gz PXDPARLZSRVOPP-QWHCGFSZSA-N 2 2 294.399 0.782 20 0 CCADLP CNC(=O)[C@@H]1CC[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC001363641494 893780418 /nfs/dbraw/zinc/78/04/18/893780418.db2.gz MHGPLPFNOVHNOR-SNVBAGLBSA-N 2 2 282.413 0.773 20 0 CCADLP CNC(=O)[C@@H]1CC[N@@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC001363641494 893780430 /nfs/dbraw/zinc/78/04/30/893780430.db2.gz MHGPLPFNOVHNOR-SNVBAGLBSA-N 2 2 282.413 0.773 20 0 CCADLP CN(CC[N@H+](C)C[C@@H]1CCOC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001482637831 894439596 /nfs/dbraw/zinc/43/95/96/894439596.db2.gz KEOWVGIKANOYLZ-LBPRGKRZSA-N 2 2 280.372 0.379 20 0 CCADLP CN(CC[N@@H+](C)C[C@@H]1CCOC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001482637831 894439611 /nfs/dbraw/zinc/43/96/11/894439611.db2.gz KEOWVGIKANOYLZ-LBPRGKRZSA-N 2 2 280.372 0.379 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccon1 ZINC001482992837 894780882 /nfs/dbraw/zinc/78/08/82/894780882.db2.gz ZPUPYAAHSYOCHF-YWVDXFKGSA-N 2 2 278.356 0.531 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ccon1 ZINC001482992837 894780890 /nfs/dbraw/zinc/78/08/90/894780890.db2.gz ZPUPYAAHSYOCHF-YWVDXFKGSA-N 2 2 278.356 0.531 20 0 CCADLP C[C@H](C[NH2+]C/C=C\Cl)NC(=O)Cc1c[nH+]cn1C ZINC001483184751 895074928 /nfs/dbraw/zinc/07/49/28/895074928.db2.gz UFNYCPZYJJAWAM-UMBAGQNISA-N 2 2 270.764 0.809 20 0 CCADLP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)Cc1ccn(C)n1 ZINC001425015840 895143962 /nfs/dbraw/zinc/14/39/62/895143962.db2.gz RIYRGYYFTGQYAP-GFCCVEGCSA-N 2 2 281.404 0.308 20 0 CCADLP C[C@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)Cc1ccn(C)n1 ZINC001425015840 895143967 /nfs/dbraw/zinc/14/39/67/895143967.db2.gz RIYRGYYFTGQYAP-GFCCVEGCSA-N 2 2 281.404 0.308 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@H+](C)C[C@H]1CCOC1 ZINC001409645967 895307777 /nfs/dbraw/zinc/30/77/77/895307777.db2.gz YNAWRFLUAJVLSK-VXGBXAGGSA-N 2 2 280.372 0.425 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@@H+](C)C[C@H]1CCOC1 ZINC001409645967 895307790 /nfs/dbraw/zinc/30/77/90/895307790.db2.gz YNAWRFLUAJVLSK-VXGBXAGGSA-N 2 2 280.372 0.425 20 0 CCADLP CC[N@H+](CCNC(=O)CCn1cc[nH+]c1)C[C@@H]1CCOC1 ZINC001492997186 895625990 /nfs/dbraw/zinc/62/59/90/895625990.db2.gz AERGBFUWLSFTHO-AWEZNQCLSA-N 2 2 294.399 0.748 20 0 CCADLP CC[N@@H+](CCNC(=O)CCn1cc[nH+]c1)C[C@@H]1CCOC1 ZINC001492997186 895625997 /nfs/dbraw/zinc/62/59/97/895625997.db2.gz AERGBFUWLSFTHO-AWEZNQCLSA-N 2 2 294.399 0.748 20 0 CCADLP C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001030445431 895720144 /nfs/dbraw/zinc/72/01/44/895720144.db2.gz ZIYNVXBOEHSJHU-IUODEOHRSA-N 2 2 295.427 0.575 20 0 CCADLP C[C@@H](O)C[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001030445431 895720155 /nfs/dbraw/zinc/72/01/55/895720155.db2.gz ZIYNVXBOEHSJHU-IUODEOHRSA-N 2 2 295.427 0.575 20 0 CCADLP COCC[NH2+]Cc1nc([C@H]2C[NH+]3CCC2CC3)no1 ZINC001326513710 913996885 /nfs/dbraw/zinc/99/68/85/913996885.db2.gz VMRYFQBJHCKFAL-NSHDSACASA-N 2 2 266.345 0.615 20 0 CCADLP CN(C(=O)C[N@H+](C)C1CCC1)C1C[NH+](CCCF)C1 ZINC001483869370 896088344 /nfs/dbraw/zinc/08/83/44/896088344.db2.gz VCDGBQAEADYUMQ-UHFFFAOYSA-N 2 2 271.380 0.973 20 0 CCADLP CN(C(=O)C[N@@H+](C)C1CCC1)C1C[NH+](CCCF)C1 ZINC001483869370 896088358 /nfs/dbraw/zinc/08/83/58/896088358.db2.gz VCDGBQAEADYUMQ-UHFFFAOYSA-N 2 2 271.380 0.973 20 0 CCADLP CC[C@H](C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1)OC ZINC001397093865 914038209 /nfs/dbraw/zinc/03/82/09/914038209.db2.gz CUXPMJNBHJBOEY-FRRDWIJNSA-N 2 2 294.399 0.862 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC1([NH2+]CCF)CCOCC1 ZINC001484186044 896223852 /nfs/dbraw/zinc/22/38/52/896223852.db2.gz IJXYSQNIJFUHKT-UHFFFAOYSA-N 2 2 298.362 0.498 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@]1(O)CC[N@H+](CC2CC2)C1 ZINC001484248283 896286406 /nfs/dbraw/zinc/28/64/06/896286406.db2.gz LLMYXCHQHTZGQN-HNNXBMFYSA-N 2 2 292.383 0.224 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@]1(O)CC[N@@H+](CC2CC2)C1 ZINC001484248283 896286420 /nfs/dbraw/zinc/28/64/20/896286420.db2.gz LLMYXCHQHTZGQN-HNNXBMFYSA-N 2 2 292.383 0.224 20 0 CCADLP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001484690299 896537414 /nfs/dbraw/zinc/53/74/14/896537414.db2.gz NEEWVJXTXOVVRB-CQSZACIVSA-N 2 2 292.383 0.735 20 0 CCADLP C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1[NH2+]CCCO ZINC001484896507 896658996 /nfs/dbraw/zinc/65/89/96/896658996.db2.gz XFEVZGHLPJUJKO-STQMWFEESA-N 2 2 294.399 0.172 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC(O)(C[NH2+]CC2CC2)CC1 ZINC001484965232 896681612 /nfs/dbraw/zinc/68/16/12/896681612.db2.gz YDPFSXLHZAXFQO-UHFFFAOYSA-N 2 2 292.383 0.236 20 0 CCADLP CCOCCC[NH+]1CC([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001485524036 897103078 /nfs/dbraw/zinc/10/30/78/897103078.db2.gz OSHYWGKFLBJILV-GFCCVEGCSA-N 2 2 294.399 0.815 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@H+]2CCCF ZINC001032551022 897736301 /nfs/dbraw/zinc/73/63/01/897736301.db2.gz KVPTVKBSWZUMNB-STQMWFEESA-N 2 2 280.347 0.918 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCF ZINC001032551022 897736311 /nfs/dbraw/zinc/73/63/11/897736311.db2.gz KVPTVKBSWZUMNB-STQMWFEESA-N 2 2 280.347 0.918 20 0 CCADLP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ncc[nH]1 ZINC001272922390 898228018 /nfs/dbraw/zinc/22/80/18/898228018.db2.gz VBAGNSHNPLKUJZ-CHWSQXEVSA-N 2 2 291.399 0.537 20 0 CCADLP C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ncc[nH]1 ZINC001272922390 898228037 /nfs/dbraw/zinc/22/80/37/898228037.db2.gz VBAGNSHNPLKUJZ-CHWSQXEVSA-N 2 2 291.399 0.537 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CCCO[C@@H](C[NH2+]CC2CC2)C1 ZINC001078478679 898384187 /nfs/dbraw/zinc/38/41/87/898384187.db2.gz KAWOSIXSIFRTIO-AWEZNQCLSA-N 2 2 292.383 0.569 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CCCO1 ZINC001078484365 898389048 /nfs/dbraw/zinc/38/90/48/898389048.db2.gz HIWCGXBMFBQJNJ-GXTWGEPZSA-N 2 2 294.399 0.815 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CCCO1 ZINC001078484365 898389061 /nfs/dbraw/zinc/38/90/61/898389061.db2.gz HIWCGXBMFBQJNJ-GXTWGEPZSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H]1[C@@H]([NH2+]CCCO)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001486082142 898646645 /nfs/dbraw/zinc/64/66/45/898646645.db2.gz WYKAPHMRMDJLIU-YPMHNXCESA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H]1[C@@H]([NH2+]CCCO)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001486082142 898646655 /nfs/dbraw/zinc/64/66/55/898646655.db2.gz WYKAPHMRMDJLIU-YPMHNXCESA-N 2 2 280.372 0.304 20 0 CCADLP CCC[N@H+](C)CCC(=O)NC1C[NH+](CCOC)C1 ZINC001494488644 899121187 /nfs/dbraw/zinc/12/11/87/899121187.db2.gz XYPZSLIVEYOREV-UHFFFAOYSA-N 2 2 257.378 0.165 20 0 CCADLP CCC[N@@H+](C)CCC(=O)NC1C[NH+](CCOC)C1 ZINC001494488644 899121193 /nfs/dbraw/zinc/12/11/93/899121193.db2.gz XYPZSLIVEYOREV-UHFFFAOYSA-N 2 2 257.378 0.165 20 0 CCADLP CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001410189441 899268319 /nfs/dbraw/zinc/26/83/19/899268319.db2.gz KAYPCKAYGKPYGY-STQMWFEESA-N 2 2 280.372 0.499 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001410234396 899295774 /nfs/dbraw/zinc/29/57/74/899295774.db2.gz RQIHNTVADPYMPK-JHJVBQTASA-N 2 2 280.372 0.402 20 0 CCADLP C[C@@H](CN(C)C(=O)CCC[NH+](C)C)[NH2+]Cc1cnsn1 ZINC001410436285 899408728 /nfs/dbraw/zinc/40/87/28/899408728.db2.gz MMTXONQGFWTMDT-NSHDSACASA-N 2 2 299.444 0.816 20 0 CCADLP Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)Cc2c[nH+]c[nH]2)on1 ZINC001410448876 899414494 /nfs/dbraw/zinc/41/44/94/899414494.db2.gz IZLOQQMFKBRYSI-NSHDSACASA-N 2 2 291.355 0.885 20 0 CCADLP CCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001327078187 914358309 /nfs/dbraw/zinc/35/83/09/914358309.db2.gz CRTKCZFNIWJPQW-GFCCVEGCSA-N 2 2 266.345 0.110 20 0 CCADLP Cc1cc(C[NH2+]C/C=C\CNC(=O)Cn2cc[nH+]c2)on1 ZINC001274632215 900936896 /nfs/dbraw/zinc/93/68/96/900936896.db2.gz PPTJAUPRPNIHPC-IHWYPQMZSA-N 2 2 289.339 0.642 20 0 CCADLP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nncs1 ZINC001442004169 901041935 /nfs/dbraw/zinc/04/19/35/901041935.db2.gz CXHCQKYCCYQXPI-WDEREUQCSA-N 2 2 297.428 0.474 20 0 CCADLP C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1nncs1 ZINC001442004169 901041940 /nfs/dbraw/zinc/04/19/40/901041940.db2.gz CXHCQKYCCYQXPI-WDEREUQCSA-N 2 2 297.428 0.474 20 0 CCADLP C[C@@H]1C[N@H+](CCN2C[C@H](C)[NH+](CCO)C[C@@H]2C)CCO1 ZINC001413010951 902468709 /nfs/dbraw/zinc/46/87/09/902468709.db2.gz LIRPWHMPYYIVSM-SOUVJXGZSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2C[C@H](C)[NH+](CCO)C[C@@H]2C)CCO1 ZINC001413010951 902468718 /nfs/dbraw/zinc/46/87/18/902468718.db2.gz LIRPWHMPYYIVSM-SOUVJXGZSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H]1C[NH+](CCN2C[C@H](C)[N@H+](CCO)C[C@@H]2C)CCO1 ZINC001413010951 902468727 /nfs/dbraw/zinc/46/87/27/902468727.db2.gz LIRPWHMPYYIVSM-SOUVJXGZSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H]1C[NH+](CCN2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)CCO1 ZINC001413010951 902468730 /nfs/dbraw/zinc/46/87/30/902468730.db2.gz LIRPWHMPYYIVSM-SOUVJXGZSA-N 2 2 285.432 0.094 20 0 CCADLP Cn1c[nH+]cc1C1CC[NH+](CCCC(=O)NC(N)=O)CC1 ZINC001413101217 902705187 /nfs/dbraw/zinc/70/51/87/902705187.db2.gz VJGCOKSYEORIFP-UHFFFAOYSA-N 2 2 293.371 0.575 20 0 CCADLP CC[C@@H](F)C[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001490932512 903259697 /nfs/dbraw/zinc/25/96/97/903259697.db2.gz HUZUKMMGWKXSBW-GMTAPVOTSA-N 2 2 268.336 0.937 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001491180082 903431315 /nfs/dbraw/zinc/43/13/15/903431315.db2.gz OSEXAKBUUFOFCN-STQMWFEESA-N 2 2 294.399 0.172 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)CCC[NH+](C)C)CCO2 ZINC001280905986 904172224 /nfs/dbraw/zinc/17/22/24/904172224.db2.gz CAIUVMVWWVQQGM-UHFFFAOYSA-N 2 2 269.389 0.261 20 0 CCADLP COCCC[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001316623389 904652648 /nfs/dbraw/zinc/65/26/48/904652648.db2.gz JBWHIWQSFPPSFH-TXEJJXNPSA-N 2 2 280.372 0.473 20 0 CCADLP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+](Cc2cnon2)C1 ZINC001377462857 904911955 /nfs/dbraw/zinc/91/19/55/904911955.db2.gz MUXALJYDPBGXGV-LBPRGKRZSA-N 2 2 295.387 0.350 20 0 CCADLP CC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+](Cc2cnon2)C1 ZINC001377462857 904911961 /nfs/dbraw/zinc/91/19/61/904911961.db2.gz MUXALJYDPBGXGV-LBPRGKRZSA-N 2 2 295.387 0.350 20 0 CCADLP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+](Cc2cnon2)C1 ZINC001377462857 904911965 /nfs/dbraw/zinc/91/19/65/904911965.db2.gz MUXALJYDPBGXGV-LBPRGKRZSA-N 2 2 295.387 0.350 20 0 CCADLP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+](Cc2cnon2)C1 ZINC001377462857 904911970 /nfs/dbraw/zinc/91/19/70/904911970.db2.gz MUXALJYDPBGXGV-LBPRGKRZSA-N 2 2 295.387 0.350 20 0 CCADLP CC[C@H](C[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1)OC ZINC001377474098 904915950 /nfs/dbraw/zinc/91/59/50/904915950.db2.gz GKRGNQPOVZLWAO-UONOGXRCSA-N 2 2 294.399 0.746 20 0 CCADLP CC[C@H](C[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1)OC ZINC001377474098 904915962 /nfs/dbraw/zinc/91/59/62/904915962.db2.gz GKRGNQPOVZLWAO-UONOGXRCSA-N 2 2 294.399 0.746 20 0 CCADLP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCCCCn1cc[nH+]c1 ZINC001327926855 914867878 /nfs/dbraw/zinc/86/78/78/914867878.db2.gz DKTBYSNIDONCDU-NEPJUHHUSA-N 2 2 266.345 0.143 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H](C[N@H+](C)CCO)C1 ZINC001377770612 905153933 /nfs/dbraw/zinc/15/39/33/905153933.db2.gz NGIFMTUDDCLFNT-CYBMUJFWSA-N 2 2 294.399 0.125 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H](C[N@@H+](C)CCO)C1 ZINC001377770612 905153938 /nfs/dbraw/zinc/15/39/38/905153938.db2.gz NGIFMTUDDCLFNT-CYBMUJFWSA-N 2 2 294.399 0.125 20 0 CCADLP C[C@H](O)CCC[NH+]1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001377899708 905228567 /nfs/dbraw/zinc/22/85/67/905228567.db2.gz VJPVMVKPZCRRKF-JSGCOSHPSA-N 2 2 283.416 0.432 20 0 CCADLP C[C@H](O)CCC[NH+]1CC(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001377899708 905228585 /nfs/dbraw/zinc/22/85/85/905228585.db2.gz VJPVMVKPZCRRKF-JSGCOSHPSA-N 2 2 283.416 0.432 20 0 CCADLP C[C@@H](O)C[NH2+]CC(C)(C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001377970527 905285006 /nfs/dbraw/zinc/28/50/06/905285006.db2.gz MEYPULLEQRNTEQ-GFCCVEGCSA-N 2 2 296.415 0.418 20 0 CCADLP CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)[NH2+]Cc1csnn1 ZINC001378292997 905568872 /nfs/dbraw/zinc/56/88/72/905568872.db2.gz CWKZSJZINQIHIW-PWSUYJOCSA-N 2 2 299.444 0.863 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1ccn(C)n1 ZINC001378631275 905719669 /nfs/dbraw/zinc/71/96/69/905719669.db2.gz FWNVKVMFIHHFAY-GFCCVEGCSA-N 2 2 290.371 0.159 20 0 CCADLP Cc1nonc1C[NH2+]C[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001378639217 905723784 /nfs/dbraw/zinc/72/37/84/905723784.db2.gz ULFHWHVXTWYCQJ-JTQLQIEISA-N 2 2 292.343 0.117 20 0 CCADLP O=C(C[NH+]1CCC(CO)CC1)NCCCCn1cc[nH+]c1 ZINC001337075315 921179008 /nfs/dbraw/zinc/17/90/08/921179008.db2.gz BTDRTKCLYDWWQR-UHFFFAOYSA-N 2 2 294.399 0.484 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnn(C)c1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001378873202 905869439 /nfs/dbraw/zinc/86/94/39/905869439.db2.gz QWMCSAUMPIRLDL-LBPRGKRZSA-N 2 2 290.371 0.253 20 0 CCADLP C[C@@H](O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001379084184 905983524 /nfs/dbraw/zinc/98/35/24/905983524.db2.gz RAFHLLKBIWKKNA-OLZOCXBDSA-N 2 2 294.399 0.217 20 0 CCADLP C[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001379084184 905983532 /nfs/dbraw/zinc/98/35/32/905983532.db2.gz RAFHLLKBIWKKNA-OLZOCXBDSA-N 2 2 294.399 0.217 20 0 CCADLP C[C@@H](C[NH2+]CC1CC1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001379520584 906317773 /nfs/dbraw/zinc/31/77/73/906317773.db2.gz PFCWNXLWDKGHQL-AAEUAGOBSA-N 2 2 276.384 0.950 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CCC[N@@H+]1CCO ZINC001379652969 906414971 /nfs/dbraw/zinc/41/49/71/906414971.db2.gz HVWCHCIRUSUBNW-OLZOCXBDSA-N 2 2 280.372 0.235 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CCC[N@H+]1CCO ZINC001379652969 906414983 /nfs/dbraw/zinc/41/49/83/906414983.db2.gz HVWCHCIRUSUBNW-OLZOCXBDSA-N 2 2 280.372 0.235 20 0 CCADLP CC(C)[NH+]1CC(N(C)C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001380258966 906699460 /nfs/dbraw/zinc/69/94/60/906699460.db2.gz YGYHAAYLKBRJLB-ZDUSSCGKSA-N 2 2 283.416 0.506 20 0 CCADLP CCC[N@H+](C)CC(=O)NC[C@H]1COCC[NH+]1CC1CC1 ZINC001380835008 906957343 /nfs/dbraw/zinc/95/73/43/906957343.db2.gz XXSRFWYHTAFQMO-AWEZNQCLSA-N 2 2 283.416 0.555 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@H]1COCC[NH+]1CC1CC1 ZINC001380835008 906957355 /nfs/dbraw/zinc/95/73/55/906957355.db2.gz XXSRFWYHTAFQMO-AWEZNQCLSA-N 2 2 283.416 0.555 20 0 CCADLP CCC[NH+](C)CC(=O)NC[C@H]1COCC[N@@H+]1CC1CC1 ZINC001380835008 906957374 /nfs/dbraw/zinc/95/73/74/906957374.db2.gz XXSRFWYHTAFQMO-AWEZNQCLSA-N 2 2 283.416 0.555 20 0 CCADLP CCC[NH+](C)CC(=O)NC[C@H]1COCC[N@H+]1CC1CC1 ZINC001380835008 906957393 /nfs/dbraw/zinc/95/73/93/906957393.db2.gz XXSRFWYHTAFQMO-AWEZNQCLSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@H](CC(=O)N(C)CCC[N@H+](C)CC(N)=O)n1cc[nH+]c1 ZINC001380977593 907027064 /nfs/dbraw/zinc/02/70/64/907027064.db2.gz OPWYUADBLBYIAU-GFCCVEGCSA-N 2 2 295.387 0.100 20 0 CCADLP C[C@H](CC(=O)N(C)CCC[N@@H+](C)CC(N)=O)n1cc[nH+]c1 ZINC001380977593 907027085 /nfs/dbraw/zinc/02/70/85/907027085.db2.gz OPWYUADBLBYIAU-GFCCVEGCSA-N 2 2 295.387 0.100 20 0 CCADLP Nc1nc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc[nH+]1 ZINC001337836838 921297493 /nfs/dbraw/zinc/29/74/93/921297493.db2.gz JKNKAODLKNDTTA-WDEREUQCSA-N 2 2 263.345 0.094 20 0 CCADLP COC[C@@H](C)[NH2+]CC1CC(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001381337325 907163312 /nfs/dbraw/zinc/16/33/12/907163312.db2.gz FFFNOSUNLMPJHX-QFWMXSHPSA-N 2 2 294.399 0.780 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[N@H+](C)CCCO ZINC001381541689 907285182 /nfs/dbraw/zinc/28/51/82/907285182.db2.gz OXBUSSSRYKFTBT-CHWSQXEVSA-N 2 2 294.399 0.264 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[N@@H+](C)CCCO ZINC001381541689 907285193 /nfs/dbraw/zinc/28/51/93/907285193.db2.gz OXBUSSSRYKFTBT-CHWSQXEVSA-N 2 2 294.399 0.264 20 0 CCADLP CCn1ccc(C[N@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C)n1 ZINC001381562446 907293088 /nfs/dbraw/zinc/29/30/88/907293088.db2.gz FKGJEERTKRFYKU-ZDUSSCGKSA-N 2 2 295.431 0.791 20 0 CCADLP CCn1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C)n1 ZINC001381562446 907293103 /nfs/dbraw/zinc/29/31/03/907293103.db2.gz FKGJEERTKRFYKU-ZDUSSCGKSA-N 2 2 295.431 0.791 20 0 CCADLP Cc1cncc(C[NH2+][C@H](C)CNC(=O)Cn2cc[nH+]c2)c1 ZINC001491695022 907507981 /nfs/dbraw/zinc/50/79/81/907507981.db2.gz XGRDNCMRBHIZCK-CYBMUJFWSA-N 2 2 287.367 0.881 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C)o1 ZINC001382121060 907558481 /nfs/dbraw/zinc/55/84/81/907558481.db2.gz XUTSULQTFFZNAT-JTQLQIEISA-N 2 2 283.376 0.266 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CCC[C@H]([NH2+]CCO)C1 ZINC001491883317 907625305 /nfs/dbraw/zinc/62/53/05/907625305.db2.gz NYFNCIAZAPYKEP-QWHCGFSZSA-N 2 2 294.399 0.362 20 0 CCADLP CC[C@@H]([NH2+][C@H](C)CCNC(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC001492114191 907708466 /nfs/dbraw/zinc/70/84/66/907708466.db2.gz DBSYLZPNKJCJQE-MWLCHTKSSA-N 2 2 295.387 0.009 20 0 CCADLP CC(C)CC[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001382479568 907764477 /nfs/dbraw/zinc/76/44/77/907764477.db2.gz LEDVCGWAVJSBPU-AWEZNQCLSA-N 2 2 296.415 0.680 20 0 CCADLP CC(C)CC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001382479568 907764481 /nfs/dbraw/zinc/76/44/81/907764481.db2.gz LEDVCGWAVJSBPU-AWEZNQCLSA-N 2 2 296.415 0.680 20 0 CCADLP Cc1nocc1C[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001492215386 907767815 /nfs/dbraw/zinc/76/78/15/907767815.db2.gz SJJNLQPXZBGXBS-ZDUSSCGKSA-N 2 2 280.372 0.625 20 0 CCADLP Cc1nocc1C[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001492215386 907767818 /nfs/dbraw/zinc/76/78/18/907767818.db2.gz SJJNLQPXZBGXBS-ZDUSSCGKSA-N 2 2 280.372 0.625 20 0 CCADLP Cc1nocc1C[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001492215386 907767825 /nfs/dbraw/zinc/76/78/25/907767825.db2.gz SJJNLQPXZBGXBS-ZDUSSCGKSA-N 2 2 280.372 0.625 20 0 CCADLP Cc1nocc1C[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001492215386 907767828 /nfs/dbraw/zinc/76/78/28/907767828.db2.gz SJJNLQPXZBGXBS-ZDUSSCGKSA-N 2 2 280.372 0.625 20 0 CCADLP O[C@@H](C[NH2+][C@H]1CCn2c[nH+]cc2C1)C[NH+]1CCCC1 ZINC001336815169 907998421 /nfs/dbraw/zinc/99/84/21/907998421.db2.gz YQPYMTVWSXIZRC-JSGCOSHPSA-N 3 2 264.373 0.244 20 0 CCADLP C[C@H]1NC(=O)N(CC[NH+]2CCC(n3cc[nH+]c3)CC2)C1=O ZINC001307509275 908321135 /nfs/dbraw/zinc/32/11/35/908321135.db2.gz FLKZXYLXNMYCSE-LLVKDONJSA-N 2 2 291.355 0.460 20 0 CCADLP C[C@H]([C@H](C)O)[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001308046064 908369963 /nfs/dbraw/zinc/36/99/63/908369963.db2.gz HELNWIONCBKIRC-DYEKYZERSA-N 2 2 256.390 0.989 20 0 CCADLP C[C@H]([C@H](C)O)[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001308046064 908369978 /nfs/dbraw/zinc/36/99/78/908369978.db2.gz HELNWIONCBKIRC-DYEKYZERSA-N 2 2 256.390 0.989 20 0 CCADLP Cn1c[nH+]cc1C1CC[NH+](CC2OCCO2)CC1 ZINC001308167881 908391750 /nfs/dbraw/zinc/39/17/50/908391750.db2.gz XAMVAZVIENVZSJ-UHFFFAOYSA-N 2 2 251.330 0.972 20 0 CCADLP C[C@H]([NH2+][C@@H]1C[C@@H]2COC[C@H]12)[C@@H]1C[N@H+](C)CCN1C ZINC001308948201 908445929 /nfs/dbraw/zinc/44/59/29/908445929.db2.gz LGYNBTWSXJZROL-VJTDZRGJSA-N 2 2 253.390 0.245 20 0 CCADLP C[C@H]([NH2+][C@@H]1C[C@@H]2COC[C@H]12)[C@@H]1C[N@@H+](C)CCN1C ZINC001308948201 908445933 /nfs/dbraw/zinc/44/59/33/908445933.db2.gz LGYNBTWSXJZROL-VJTDZRGJSA-N 2 2 253.390 0.245 20 0 CCADLP C[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)Cc1cnon1 ZINC001316846051 908805348 /nfs/dbraw/zinc/80/53/48/908805348.db2.gz VLYZODZRXLTCDR-UHFFFAOYSA-N 2 2 295.387 0.350 20 0 CCADLP C[N@@H+](CCCNC(=O)C1CC[NH+](C)CC1)Cc1cnon1 ZINC001316846051 908805360 /nfs/dbraw/zinc/80/53/60/908805360.db2.gz VLYZODZRXLTCDR-UHFFFAOYSA-N 2 2 295.387 0.350 20 0 CCADLP CC(C)OCC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001317357713 909158264 /nfs/dbraw/zinc/15/82/64/909158264.db2.gz RAMMPRITNHVSKO-AWEZNQCLSA-N 2 2 294.399 0.746 20 0 CCADLP COCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001317395745 909173728 /nfs/dbraw/zinc/17/37/28/909173728.db2.gz JZOSPFFWOYANNQ-QJPTWQEYSA-N 2 2 280.372 0.644 20 0 CCADLP COCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001317395745 909173736 /nfs/dbraw/zinc/17/37/36/909173736.db2.gz JZOSPFFWOYANNQ-QJPTWQEYSA-N 2 2 280.372 0.644 20 0 CCADLP CSCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001338506641 921491596 /nfs/dbraw/zinc/49/15/96/921491596.db2.gz YSVDRKZWQREYNS-UHFFFAOYSA-N 2 2 260.407 0.072 20 0 CCADLP CCc1cnc(C[NH2+]CCN(C)C(=O)C[NH+]2CCCC2)o1 ZINC001317662578 909454289 /nfs/dbraw/zinc/45/42/89/909454289.db2.gz YPHFWPQDIYDHFT-UHFFFAOYSA-N 2 2 294.399 0.881 20 0 CCADLP COCC[NH2+][C@H](C)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001317680733 909467714 /nfs/dbraw/zinc/46/77/14/909467714.db2.gz INCRYTPOFZDDLI-CYBMUJFWSA-N 2 2 294.399 0.746 20 0 CCADLP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1)[NH+](CC)CC ZINC001389381475 909861372 /nfs/dbraw/zinc/86/13/72/909861372.db2.gz BLGGRHMTOQLXCQ-OLZOCXBDSA-N 2 2 298.431 0.173 20 0 CCADLP CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1)[NH+](CC)CC ZINC001389381475 909861382 /nfs/dbraw/zinc/86/13/82/909861382.db2.gz BLGGRHMTOQLXCQ-OLZOCXBDSA-N 2 2 298.431 0.173 20 0 CCADLP CC(C)(C)[NH2+]CC(=O)NC1CC[NH+]([C@H]2CCOC2=O)CC1 ZINC001417688503 921533419 /nfs/dbraw/zinc/53/34/19/921533419.db2.gz RIDCGZOSQFEDIG-LBPRGKRZSA-N 2 2 297.399 0.271 20 0 CCADLP C[NH+](C)Cc1csc(CNC(=O)NCCCC[NH3+])n1 ZINC001338646772 921535470 /nfs/dbraw/zinc/53/54/70/921535470.db2.gz SSTARVLQLAKNIM-UHFFFAOYSA-N 2 2 285.417 0.743 20 0 CCADLP O=C(NC[C@@H]([NH2+]CCF)C1CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001389623969 910004083 /nfs/dbraw/zinc/00/40/83/910004083.db2.gz RDIXRPWQDXPDCV-GXTWGEPZSA-N 2 2 294.374 0.899 20 0 CCADLP COCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001319485058 910172553 /nfs/dbraw/zinc/17/25/53/910172553.db2.gz FGPVNWUVUAWICI-QWHCGFSZSA-N 2 2 294.399 0.528 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001390004648 910178132 /nfs/dbraw/zinc/17/81/32/910178132.db2.gz HYFCDCJGGAOTAL-JLLWLGSASA-N 2 2 280.372 0.532 20 0 CCADLP C[C@@H](O)C[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001319779848 910293325 /nfs/dbraw/zinc/29/33/25/910293325.db2.gz WKGNGNCMESVHKK-OCCSQVGLSA-N 2 2 294.399 0.694 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001417732757 921581862 /nfs/dbraw/zinc/58/18/62/921581862.db2.gz JYGGGNNIUOFNFL-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC001417732757 921581869 /nfs/dbraw/zinc/58/18/69/921581869.db2.gz JYGGGNNIUOFNFL-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001417732757 921581876 /nfs/dbraw/zinc/58/18/76/921581876.db2.gz JYGGGNNIUOFNFL-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001417732757 921581886 /nfs/dbraw/zinc/58/18/86/921581886.db2.gz JYGGGNNIUOFNFL-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP O=C(NCC[NH+]1CC=CC1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001320805242 910880342 /nfs/dbraw/zinc/88/03/42/910880342.db2.gz RYQJCCWAHIIMHY-UHFFFAOYSA-N 2 2 283.335 0.869 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CC[N@H+](CCCO)C1 ZINC001391116674 910891322 /nfs/dbraw/zinc/89/13/22/910891322.db2.gz UKEXJPLQAXBIHD-CYBMUJFWSA-N 2 2 294.399 0.173 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CC[N@@H+](CCCO)C1 ZINC001391116674 910891332 /nfs/dbraw/zinc/89/13/32/910891332.db2.gz UKEXJPLQAXBIHD-CYBMUJFWSA-N 2 2 294.399 0.173 20 0 CCADLP C[C@H](O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001321125231 911101865 /nfs/dbraw/zinc/10/18/65/911101865.db2.gz JLZIBAZJRMICEE-IVPXFZNXSA-N 2 2 292.383 0.088 20 0 CCADLP CCN(C(=O)Cc1[nH]c[nH+]c1C)[C@@H]1CC[N@H+](CCOC)C1 ZINC001391649326 911292242 /nfs/dbraw/zinc/29/22/42/911292242.db2.gz MJIRSJAGIWAYAN-CYBMUJFWSA-N 2 2 294.399 0.830 20 0 CCADLP CCN(C(=O)Cc1[nH]c[nH+]c1C)[C@@H]1CC[N@@H+](CCOC)C1 ZINC001391649326 911292250 /nfs/dbraw/zinc/29/22/50/911292250.db2.gz MJIRSJAGIWAYAN-CYBMUJFWSA-N 2 2 294.399 0.830 20 0 CCADLP CO[C@H](C)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCCC1 ZINC001392025003 911522125 /nfs/dbraw/zinc/52/21/25/911522125.db2.gz YKBXWLNOXZQXJZ-CYBMUJFWSA-N 2 2 294.399 0.937 20 0 CCADLP CC(C)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001392378442 911770163 /nfs/dbraw/zinc/77/01/63/911770163.db2.gz GBOWOMAUABJTAS-GXTWGEPZSA-N 2 2 294.399 0.168 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](O)C[NH2+]CC1CC1 ZINC001392408848 911788229 /nfs/dbraw/zinc/78/82/29/911788229.db2.gz LYJFVGLHPZLJDQ-MFKMUULPSA-N 2 2 280.372 0.065 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](O)C[NH2+]CC1CC1 ZINC001392408848 911788239 /nfs/dbraw/zinc/78/82/39/911788239.db2.gz LYJFVGLHPZLJDQ-MFKMUULPSA-N 2 2 280.372 0.065 20 0 CCADLP C[C@@H](C[NH2+]Cc1ncccn1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001392551634 911929221 /nfs/dbraw/zinc/92/92/21/911929221.db2.gz VXVCFOORWWOGBH-NWDGAFQWSA-N 2 2 277.372 0.165 20 0 CCADLP C[C@@H](C[NH2+]Cc1ncccn1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001392551634 911929236 /nfs/dbraw/zinc/92/92/36/911929236.db2.gz VXVCFOORWWOGBH-NWDGAFQWSA-N 2 2 277.372 0.165 20 0 CCADLP C[C@@H](C[N@H+](C)CC[C@H]1CCCO1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001392715995 912108748 /nfs/dbraw/zinc/10/87/48/912108748.db2.gz YJIYDHBTTZFRJN-QWHCGFSZSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@@H](C[N@@H+](C)CC[C@H]1CCCO1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001392715995 912108750 /nfs/dbraw/zinc/10/87/50/912108750.db2.gz YJIYDHBTTZFRJN-QWHCGFSZSA-N 2 2 294.399 0.958 20 0 CCADLP Cc1nonc1C[NH2+][C@@H](C)CCNC(=O)Cn1cc[nH+]c1 ZINC001399426366 915161439 /nfs/dbraw/zinc/16/14/39/915161439.db2.gz KDTLQASTJIWTNV-JTQLQIEISA-N 2 2 292.343 0.259 20 0 CCADLP C[C@H](O)C[N@H+](C)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001399521903 915214698 /nfs/dbraw/zinc/21/46/98/915214698.db2.gz DLSUTYVVYLZYNS-NSHDSACASA-N 2 2 276.340 0.377 20 0 CCADLP C[C@H](O)C[N@@H+](C)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001399521903 915214717 /nfs/dbraw/zinc/21/47/17/915214717.db2.gz DLSUTYVVYLZYNS-NSHDSACASA-N 2 2 276.340 0.377 20 0 CCADLP CCCN(C(=O)CC[NH+](C)CC)[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001400161976 915594825 /nfs/dbraw/zinc/59/48/25/915594825.db2.gz ZQZFTPWYINCGSJ-CYBMUJFWSA-N 2 2 298.431 0.126 20 0 CCADLP CCCN(C(=O)CC[NH+](C)CC)[C@@H]1CC[N@@H+](CC(N)=O)C1 ZINC001400161976 915594833 /nfs/dbraw/zinc/59/48/33/915594833.db2.gz ZQZFTPWYINCGSJ-CYBMUJFWSA-N 2 2 298.431 0.126 20 0 CCADLP CCCN(C(=O)CC[N@H+](C)CC)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001400161976 915594841 /nfs/dbraw/zinc/59/48/41/915594841.db2.gz ZQZFTPWYINCGSJ-CYBMUJFWSA-N 2 2 298.431 0.126 20 0 CCADLP CCCN(C(=O)CC[N@@H+](C)CC)[C@@H]1CC[NH+](CC(N)=O)C1 ZINC001400161976 915594850 /nfs/dbraw/zinc/59/48/50/915594850.db2.gz ZQZFTPWYINCGSJ-CYBMUJFWSA-N 2 2 298.431 0.126 20 0 CCADLP CC[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CCF ZINC001400818841 915947234 /nfs/dbraw/zinc/94/72/34/915947234.db2.gz JXDQAYBEERFEMW-VXGBXAGGSA-N 2 2 282.363 0.899 20 0 CCADLP C[C@@H](CC(=O)NC[C@H](C)[N@H+](C)CCO)n1cc[nH+]c1 ZINC001329562065 916014429 /nfs/dbraw/zinc/01/44/29/916014429.db2.gz WUXAGUXGJTWZMB-RYUDHWBXSA-N 2 2 268.361 0.263 20 0 CCADLP C[C@@H](CC(=O)NC[C@H](C)[N@@H+](C)CCO)n1cc[nH+]c1 ZINC001329562065 916014450 /nfs/dbraw/zinc/01/44/50/916014450.db2.gz WUXAGUXGJTWZMB-RYUDHWBXSA-N 2 2 268.361 0.263 20 0 CCADLP CC(C)[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CCF ZINC001401374196 916219136 /nfs/dbraw/zinc/21/91/36/916219136.db2.gz CHQVNBVKKJFBNS-LBPRGKRZSA-N 2 2 270.352 0.663 20 0 CCADLP Cc1cc(C[NH2+]C[C@H](C)NC(=O)Cn2cc[nH+]c2)sn1 ZINC001401726324 916515727 /nfs/dbraw/zinc/51/57/27/916515727.db2.gz HUZSQAKJEXZPNF-NSHDSACASA-N 2 2 293.396 0.943 20 0 CCADLP C[C@@H](C[N@H+](C)Cc1ccn(C)n1)NC(=O)[C@H]1CCC[NH+]1C ZINC001401783853 916586073 /nfs/dbraw/zinc/58/60/73/916586073.db2.gz UJLZNWFZUKCYET-GXTWGEPZSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@@H](C[N@@H+](C)Cc1ccn(C)n1)NC(=O)[C@H]1CCC[NH+]1C ZINC001401783853 916586084 /nfs/dbraw/zinc/58/60/84/916586084.db2.gz UJLZNWFZUKCYET-GXTWGEPZSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@@H](C[NH+](C)Cc1ccn(C)n1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001401783853 916586101 /nfs/dbraw/zinc/58/61/01/916586101.db2.gz UJLZNWFZUKCYET-GXTWGEPZSA-N 2 2 293.415 0.451 20 0 CCADLP C[C@@H](C[NH+](C)Cc1ccn(C)n1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001401783853 916586119 /nfs/dbraw/zinc/58/61/19/916586119.db2.gz UJLZNWFZUKCYET-GXTWGEPZSA-N 2 2 293.415 0.451 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@@H+]1CCO ZINC001401904780 916679342 /nfs/dbraw/zinc/67/93/42/916679342.db2.gz OCYULMOPAXJGTN-LBPRGKRZSA-N 2 2 280.372 0.189 20 0 CCADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@H+]1CCO ZINC001401904780 916679356 /nfs/dbraw/zinc/67/93/56/916679356.db2.gz OCYULMOPAXJGTN-LBPRGKRZSA-N 2 2 280.372 0.189 20 0 CCADLP COCC[N@@H+]1CC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001401912836 916688916 /nfs/dbraw/zinc/68/89/16/916688916.db2.gz TZXMSGRHSOZTKF-CYBMUJFWSA-N 2 2 280.372 0.190 20 0 CCADLP COCC[N@H+]1CC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001401912836 916688923 /nfs/dbraw/zinc/68/89/23/916688923.db2.gz TZXMSGRHSOZTKF-CYBMUJFWSA-N 2 2 280.372 0.190 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC1([NH2+]Cc2ncccn2)CC1 ZINC001401978915 916735827 /nfs/dbraw/zinc/73/58/27/916735827.db2.gz XWSACTIVGRPYGQ-UHFFFAOYSA-N 2 2 291.399 0.557 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC1([NH2+]Cc2ncccn2)CC1 ZINC001401978915 916735839 /nfs/dbraw/zinc/73/58/39/916735839.db2.gz XWSACTIVGRPYGQ-UHFFFAOYSA-N 2 2 291.399 0.557 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001402021238 916762243 /nfs/dbraw/zinc/76/22/43/916762243.db2.gz VFZLWPLJJYJUGF-ZDUSSCGKSA-N 2 2 271.405 0.362 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001402210635 916869373 /nfs/dbraw/zinc/86/93/73/916869373.db2.gz GCOQOVBURLYQPL-OLZOCXBDSA-N 2 2 294.399 0.578 20 0 CCADLP COC[C@@H](C)[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001402210635 916869380 /nfs/dbraw/zinc/86/93/80/916869380.db2.gz GCOQOVBURLYQPL-OLZOCXBDSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001402515051 917071138 /nfs/dbraw/zinc/07/11/38/917071138.db2.gz OPAJBURTCTZBOZ-CYDGBPFRSA-N 2 2 280.372 0.452 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CO2 ZINC001402688631 917173793 /nfs/dbraw/zinc/17/37/93/917173793.db2.gz IDFUDHRGAGNLNH-ZDUSSCGKSA-N 2 2 297.443 0.944 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CO2 ZINC001402688631 917173801 /nfs/dbraw/zinc/17/38/01/917173801.db2.gz IDFUDHRGAGNLNH-ZDUSSCGKSA-N 2 2 297.443 0.944 20 0 CCADLP COCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001402793283 917232188 /nfs/dbraw/zinc/23/21/88/917232188.db2.gz VDSPEECBCRPVPX-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP COCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001402793283 917232199 /nfs/dbraw/zinc/23/21/99/917232199.db2.gz VDSPEECBCRPVPX-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H](C)[NH2+]Cc1cncn1C ZINC001403039649 917440655 /nfs/dbraw/zinc/44/06/55/917440655.db2.gz PBNNLLBTOQLQCI-GHMZBOCLSA-N 2 2 290.371 0.369 20 0 CCADLP C[C@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]Cc1csnn1 ZINC001403065095 917452395 /nfs/dbraw/zinc/45/23/95/917452395.db2.gz WOXRLYJEWOJOEE-QWRGUYRKSA-N 2 2 299.444 0.863 20 0 CCADLP C[C@H](O)C[N@H+](C)[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001403134014 917516681 /nfs/dbraw/zinc/51/66/81/917516681.db2.gz KXLPUDKIEDZKKL-QWRGUYRKSA-N 2 2 290.367 0.994 20 0 CCADLP C[C@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001403134014 917516689 /nfs/dbraw/zinc/51/66/89/917516689.db2.gz KXLPUDKIEDZKKL-QWRGUYRKSA-N 2 2 290.367 0.994 20 0 CCADLP C[C@@H]([NH2+]CCF)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001403409990 917702440 /nfs/dbraw/zinc/70/24/40/917702440.db2.gz KEDRWSBCXBDSNW-MNOVXSKESA-N 2 2 284.335 0.127 20 0 CCADLP CCOCC[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001331915399 917712230 /nfs/dbraw/zinc/71/22/30/917712230.db2.gz CWLQQGGFFFFUIU-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H](C)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001403574228 917822953 /nfs/dbraw/zinc/82/29/53/917822953.db2.gz BRLXBQYWEWLNQD-OLZOCXBDSA-N 2 2 282.388 0.745 20 0 CCADLP O=C(NC12CC[NH+](CC1)C2)[C@@H]1CCn2c[nH+]cc2C1 ZINC001332227953 917970905 /nfs/dbraw/zinc/97/09/05/917970905.db2.gz HNBMJHJASSCFRL-LLVKDONJSA-N 2 2 260.341 0.410 20 0 CCADLP O[C@@H](C[NH2+]CCCCn1cc[nH+]c1)CC1(O)CCOCC1 ZINC001332239357 917983640 /nfs/dbraw/zinc/98/36/40/917983640.db2.gz UDDXJNGRQOKVAR-CQSZACIVSA-N 2 2 297.399 0.545 20 0 CCADLP CC[C@H](C)C[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001403882334 918083450 /nfs/dbraw/zinc/08/34/50/918083450.db2.gz NHBGHMINZNHHKH-QWHCGFSZSA-N 2 2 282.388 0.338 20 0 CCADLP CC[N@H+](CCNC(=O)CC[NH+](C)C)Cc1ccn(C)n1 ZINC001403910271 918112027 /nfs/dbraw/zinc/11/20/27/918112027.db2.gz RSJFWYVCMQIYEJ-UHFFFAOYSA-N 2 2 281.404 0.310 20 0 CCADLP CC[N@@H+](CCNC(=O)CC[NH+](C)C)Cc1ccn(C)n1 ZINC001403910271 918112037 /nfs/dbraw/zinc/11/20/37/918112037.db2.gz RSJFWYVCMQIYEJ-UHFFFAOYSA-N 2 2 281.404 0.310 20 0 CCADLP CC[C@@H](C[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]c[nH]2)C1)OC ZINC001404030289 918177123 /nfs/dbraw/zinc/17/71/23/918177123.db2.gz UAYREIQLTSRVPG-UBHUBRDASA-N 2 2 294.399 0.956 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC001332558514 918274952 /nfs/dbraw/zinc/27/49/52/918274952.db2.gz WXFCTTKYAJCTEE-GFCCVEGCSA-N 2 2 251.334 0.300 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC1C[NH+](CCOC(C)C)C1 ZINC001404790365 918463798 /nfs/dbraw/zinc/46/37/98/918463798.db2.gz MZORMDNQXJPANL-UHFFFAOYSA-N 2 2 280.372 0.417 20 0 CCADLP CCn1ncnc1C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC001333134201 918678086 /nfs/dbraw/zinc/67/80/86/918678086.db2.gz RTVPYEITHKWTNZ-GFCCVEGCSA-N 2 2 266.393 0.024 20 0 CCADLP O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1[C@H]1CC[N@@H+](C2CC2)C1 ZINC001333557735 918996974 /nfs/dbraw/zinc/99/69/74/918996974.db2.gz HKUVGYWPRLEBDE-RYUDHWBXSA-N 2 2 289.339 0.109 20 0 CCADLP O=C1N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N1[C@H]1CC[N@H+](C2CC2)C1 ZINC001333557735 918996991 /nfs/dbraw/zinc/99/69/91/918996991.db2.gz HKUVGYWPRLEBDE-RYUDHWBXSA-N 2 2 289.339 0.109 20 0 CCADLP O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1[C@H]1CC[N@@H+](C2CC2)C1 ZINC001333557735 918997005 /nfs/dbraw/zinc/99/70/05/918997005.db2.gz HKUVGYWPRLEBDE-RYUDHWBXSA-N 2 2 289.339 0.109 20 0 CCADLP O=C1N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N1[C@H]1CC[N@H+](C2CC2)C1 ZINC001333557735 918997016 /nfs/dbraw/zinc/99/70/16/918997016.db2.gz HKUVGYWPRLEBDE-RYUDHWBXSA-N 2 2 289.339 0.109 20 0 CCADLP COCC[N@H+](C)CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001406152142 919081192 /nfs/dbraw/zinc/08/11/92/919081192.db2.gz HUPIVYRHOUGVSC-UHFFFAOYSA-N 2 2 282.388 0.724 20 0 CCADLP COCC[N@@H+](C)CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001406152142 919081207 /nfs/dbraw/zinc/08/12/07/919081207.db2.gz HUPIVYRHOUGVSC-UHFFFAOYSA-N 2 2 282.388 0.724 20 0 CCADLP CN(CC[N@@H+](C)CCCO)C(=O)CCc1c[nH+]cn1C ZINC001406164637 919090851 /nfs/dbraw/zinc/09/08/51/919090851.db2.gz MENKECMBDHCRTC-UHFFFAOYSA-N 2 2 282.388 0.125 20 0 CCADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H](O)CO)C1 ZINC001333875194 919224551 /nfs/dbraw/zinc/22/45/51/919224551.db2.gz WQRIURHCINOILQ-RYUDHWBXSA-N 2 2 253.346 0.028 20 0 CCADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H](O)CO)C1 ZINC001333875194 919224565 /nfs/dbraw/zinc/22/45/65/919224565.db2.gz WQRIURHCINOILQ-RYUDHWBXSA-N 2 2 253.346 0.028 20 0 CCADLP CC(C)c1noc(C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C)n1 ZINC001406404387 919241109 /nfs/dbraw/zinc/24/11/09/919241109.db2.gz IPLLMOCWPQCAEZ-LLVKDONJSA-N 2 2 297.403 0.739 20 0 CCADLP Cc1noc([C@@H](C)[NH2+]C[C@H](C)NC(=O)CCC[NH+](C)C)n1 ZINC001406516497 919308391 /nfs/dbraw/zinc/30/83/91/919308391.db2.gz HGCFOXHPZUXFCL-WDEREUQCSA-N 2 2 297.403 0.875 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1cnsn1 ZINC001406545363 919342504 /nfs/dbraw/zinc/34/25/04/919342504.db2.gz LUAUXYVAOPGIBE-JTQLQIEISA-N 2 2 285.417 0.474 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]Cc1cnsn1 ZINC001406545363 919342519 /nfs/dbraw/zinc/34/25/19/919342519.db2.gz LUAUXYVAOPGIBE-JTQLQIEISA-N 2 2 285.417 0.474 20 0 CCADLP C[C@@H](C[N@H+](C)Cc1cnn(C)c1)NC(=O)Cn1cc[nH+]c1 ZINC001406694215 919432790 /nfs/dbraw/zinc/43/27/90/919432790.db2.gz MZPAJSASSTZZOW-LBPRGKRZSA-N 2 2 290.371 0.253 20 0 CCADLP C[C@@H](C[N@@H+](C)Cc1cnn(C)c1)NC(=O)Cn1cc[nH+]c1 ZINC001406694215 919432798 /nfs/dbraw/zinc/43/27/98/919432798.db2.gz MZPAJSASSTZZOW-LBPRGKRZSA-N 2 2 290.371 0.253 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H](C[NH2+]C[C@@H]1CCOC1)C1CC1 ZINC001406802143 919466025 /nfs/dbraw/zinc/46/60/25/919466025.db2.gz FORPCFHRGVLMCM-GXTWGEPZSA-N 2 2 292.383 0.404 20 0 CCADLP CC[C@@H](C[N@@H+]1CC[C@@H]1CNC(=O)Cc1c[nH+]cn1C)OC ZINC001406867482 919506260 /nfs/dbraw/zinc/50/62/60/919506260.db2.gz AXRVWXWADQTLGS-OCCSQVGLSA-N 2 2 294.399 0.578 20 0 CCADLP CC[C@@H](C[N@H+]1CC[C@@H]1CNC(=O)Cc1c[nH+]cn1C)OC ZINC001406867482 919506272 /nfs/dbraw/zinc/50/62/72/919506272.db2.gz AXRVWXWADQTLGS-OCCSQVGLSA-N 2 2 294.399 0.578 20 0 CCADLP CC(C)C[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001407843277 919918788 /nfs/dbraw/zinc/91/87/88/919918788.db2.gz AIALARZZQVEGKH-AWEZNQCLSA-N 2 2 294.399 0.746 20 0 CCADLP C[C@@H](O)C[N@H+](C)CCCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001407921097 919961422 /nfs/dbraw/zinc/96/14/22/919961422.db2.gz PHVLISCKOQIFRI-UONOGXRCSA-N 2 2 296.415 0.995 20 0 CCADLP C[C@@H](O)C[N@@H+](C)CCCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001407921097 919961440 /nfs/dbraw/zinc/96/14/40/919961440.db2.gz PHVLISCKOQIFRI-UONOGXRCSA-N 2 2 296.415 0.995 20 0 CCADLP CC[C@@H]([NH2+][C@@H](C)CCNC(=O)Cc1[nH]c[nH+]c1C)C(N)=O ZINC001408248395 920109510 /nfs/dbraw/zinc/10/95/10/920109510.db2.gz DBSYLZPNKJCJQE-GXSJLCMTSA-N 2 2 295.387 0.009 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCO1 ZINC001335307521 920111037 /nfs/dbraw/zinc/11/10/37/920111037.db2.gz FIVJJXDYERYJPR-FOGDFJRCSA-N 2 2 266.345 0.163 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCO1 ZINC001335307521 920111044 /nfs/dbraw/zinc/11/10/44/920111044.db2.gz FIVJJXDYERYJPR-FOGDFJRCSA-N 2 2 266.345 0.163 20 0 CCADLP CC(C)=CCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336083957 920602139 /nfs/dbraw/zinc/60/21/39/920602139.db2.gz QAYVMANVHNJAKY-UHFFFAOYSA-N 2 2 254.378 0.675 20 0 CCADLP CN(CCCNc1nccnc1C[NH3+])CC[NH+](C)C ZINC001336634108 920890345 /nfs/dbraw/zinc/89/03/45/920890345.db2.gz PQVAOPZLJGELDF-UHFFFAOYSA-N 2 2 266.393 0.231 20 0 CCADLP CC(C)(C[NH2+]C[C@@H](O)C1(O)CCCC1)n1cc[nH+]c1 ZINC001336844177 921054463 /nfs/dbraw/zinc/05/44/63/921054463.db2.gz DENHBQQAMBJZBU-GFCCVEGCSA-N 2 2 267.373 0.874 20 0 CCADLP C[C@H]1CN(C(=O)NCc2c[nH+]cn2C)CC[C@@H]1C[NH3+] ZINC001336893032 921086083 /nfs/dbraw/zinc/08/60/83/921086083.db2.gz DJUBHEAIWMWFTF-WDEREUQCSA-N 2 2 265.361 0.546 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001418281875 921991462 /nfs/dbraw/zinc/99/14/62/921991462.db2.gz GBEPKWKMUBLSJY-DGCLKSJQSA-N 2 2 294.399 0.862 20 0 CCADLP CCc1nnc(C[NH2+][C@@H](C)CNC(=O)C[NH+]2CCCC2)o1 ZINC001418313230 922017538 /nfs/dbraw/zinc/01/75/38/922017538.db2.gz DUYZOPIBSYKYEP-NSHDSACASA-N 2 2 295.387 0.322 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H](C)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001418410298 922089443 /nfs/dbraw/zinc/08/94/43/922089443.db2.gz UIEHCWOWZGSTIB-NWDGAFQWSA-N 2 2 290.367 0.813 20 0 CCADLP CC[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C[C@H]1CC[C@H](C)O1 ZINC001418569141 922268690 /nfs/dbraw/zinc/26/86/90/922268690.db2.gz QRSHRWFRMYLFGW-QWHCGFSZSA-N 2 2 294.399 0.958 20 0 CCADLP CC[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)C[C@H]1CC[C@H](C)O1 ZINC001418569141 922268708 /nfs/dbraw/zinc/26/87/08/922268708.db2.gz QRSHRWFRMYLFGW-QWHCGFSZSA-N 2 2 294.399 0.958 20 0 CCADLP CC[N@H+](CCF)CCNC(=O)CCc1c[nH+]cn1C ZINC001418576106 922273386 /nfs/dbraw/zinc/27/33/86/922273386.db2.gz WWIOIYUWYRJHHP-UHFFFAOYSA-N 2 2 270.352 0.760 20 0 CCADLP CC[N@@H+](CCF)CCNC(=O)CCc1c[nH+]cn1C ZINC001418576106 922273403 /nfs/dbraw/zinc/27/34/03/922273403.db2.gz WWIOIYUWYRJHHP-UHFFFAOYSA-N 2 2 270.352 0.760 20 0 CCADLP CC[N@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)C[C@@H](C)OC ZINC001418580716 922278484 /nfs/dbraw/zinc/27/84/84/922278484.db2.gz OKLQMTJFAICNAE-LLVKDONJSA-N 2 2 282.388 0.734 20 0 CCADLP CC[N@@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)C[C@@H](C)OC ZINC001418580716 922278498 /nfs/dbraw/zinc/27/84/98/922278498.db2.gz OKLQMTJFAICNAE-LLVKDONJSA-N 2 2 282.388 0.734 20 0 CCADLP CN(C[C@@H]1CC[N@@H+]1C[C@H]1CCOC1)C(=O)Cn1cc[nH+]c1 ZINC001418597538 922297404 /nfs/dbraw/zinc/29/74/04/922297404.db2.gz DHPXQFNORHTZAX-KGLIPLIRSA-N 2 2 292.383 0.452 20 0 CCADLP CN(C[C@@H]1CC[N@H+]1C[C@H]1CCOC1)C(=O)Cn1cc[nH+]c1 ZINC001418597538 922297420 /nfs/dbraw/zinc/29/74/20/922297420.db2.gz DHPXQFNORHTZAX-KGLIPLIRSA-N 2 2 292.383 0.452 20 0 CCADLP C[C@@H]1C[C@@H](C)[C@H](C(=O)NCC[NH+]2CCC([NH3+])CC2)O1 ZINC001341057842 922329043 /nfs/dbraw/zinc/32/90/43/922329043.db2.gz ZNCKGJHNCQINJE-NQBHXWOUSA-N 2 2 269.389 0.339 20 0 CCADLP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)c1csnn1 ZINC001418837227 922448065 /nfs/dbraw/zinc/44/80/65/922448065.db2.gz ZFKXBTKGFRCZMU-WDEREUQCSA-N 2 2 297.428 0.599 20 0 CCADLP C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)c1csnn1 ZINC001418837227 922448071 /nfs/dbraw/zinc/44/80/71/922448071.db2.gz ZFKXBTKGFRCZMU-WDEREUQCSA-N 2 2 297.428 0.599 20 0 CCADLP Cc1nnc(CC[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)o1 ZINC001341616495 922582400 /nfs/dbraw/zinc/58/24/00/922582400.db2.gz RKFWCRWMYPDYGM-CYBMUJFWSA-N 2 2 268.361 0.309 20 0 CCADLP Cc1nnc(CC[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)o1 ZINC001341616495 922582417 /nfs/dbraw/zinc/58/24/17/922582417.db2.gz RKFWCRWMYPDYGM-CYBMUJFWSA-N 2 2 268.361 0.309 20 0 CCADLP C[C@@H]1CC[C@H](C[NH+]2CC(CNC(=O)Cc3[nH]cc[nH+]3)C2)O1 ZINC001419036651 922593032 /nfs/dbraw/zinc/59/30/32/922593032.db2.gz BMQPAIUMVLFUQT-DGCLKSJQSA-N 2 2 292.383 0.568 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001419109473 922635966 /nfs/dbraw/zinc/63/59/66/922635966.db2.gz FQBRAGJFIFIGNM-CHWSQXEVSA-N 2 2 280.372 0.187 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001419109473 922635973 /nfs/dbraw/zinc/63/59/73/922635973.db2.gz FQBRAGJFIFIGNM-CHWSQXEVSA-N 2 2 280.372 0.187 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)CCC1C[NH2+]C1 ZINC001342196480 922857677 /nfs/dbraw/zinc/85/76/77/922857677.db2.gz SILUZOZZIGJQBN-GFCCVEGCSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C[C@H]([NH3+])C1CC1 ZINC001342196707 922858163 /nfs/dbraw/zinc/85/81/63/922858163.db2.gz VPOLCVSVYISLAG-YPMHNXCESA-N 2 2 269.389 0.293 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001419569694 922923915 /nfs/dbraw/zinc/92/39/15/922923915.db2.gz REYXPEQXIUGAED-QWHCGFSZSA-N 2 2 280.372 0.092 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H](C)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001419684197 922991704 /nfs/dbraw/zinc/99/17/04/922991704.db2.gz BXAMMGYIWYBDTP-RYUDHWBXSA-N 2 2 290.367 0.765 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CCc1ccnn1C ZINC001419844881 923129083 /nfs/dbraw/zinc/12/90/83/923129083.db2.gz DHOLRUVDOXXMNT-NSHDSACASA-N 2 2 290.371 0.023 20 0 CCADLP COCC[C@H]1C[NH2+]CCN1C(=O)CCn1cc[nH+]c1 ZINC001342991287 923156917 /nfs/dbraw/zinc/15/69/17/923156917.db2.gz APKNSWNEQXWYSY-LBPRGKRZSA-N 2 2 266.345 0.110 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001420004447 923230577 /nfs/dbraw/zinc/23/05/77/923230577.db2.gz YILNKIWUNLAIBS-NEPJUHHUSA-N 2 2 280.372 0.425 20 0 CCADLP CC1(C)CN(C(=O)[C@@H]2[NH2+]CCc3occc32)CC[NH2+]1 ZINC001343525643 923365126 /nfs/dbraw/zinc/36/51/26/923365126.db2.gz JNKMQOFZPMIUIF-GFCCVEGCSA-N 2 2 263.341 0.677 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@@H](O)C[NH2+]Cc1ccccc1 ZINC001420180856 923378502 /nfs/dbraw/zinc/37/85/02/923378502.db2.gz BSRGNDMPIOSEPS-ZDUSSCGKSA-N 2 2 288.351 0.219 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)CC1CC([NH3+])C1 ZINC001343595266 923387058 /nfs/dbraw/zinc/38/70/58/923387058.db2.gz WGDMSHLCAQJXOX-UHFFFAOYSA-N 2 2 250.346 0.859 20 0 CCADLP [NH3+][C@@H](CC(=O)NCC[C@H]1CCC[NH2+]CC1)C(F)F ZINC001343765059 923462579 /nfs/dbraw/zinc/46/25/79/923462579.db2.gz MTQGWAVIGDZZSU-UWVGGRQHSA-N 2 2 263.332 0.865 20 0 CCADLP C[NH2+]C1(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CCC1 ZINC001344011685 923530298 /nfs/dbraw/zinc/53/02/98/923530298.db2.gz PLWAMDGVYQPUJV-GFCCVEGCSA-N 2 2 267.373 0.062 20 0 CCADLP C[N@H+](CCNC(=O)Cn1cc[nH+]c1)CC[C@H]1CCOC1 ZINC001420361720 923575495 /nfs/dbraw/zinc/57/54/95/923575495.db2.gz KHJPUGPAUUJUKY-ZDUSSCGKSA-N 2 2 280.372 0.358 20 0 CCADLP C[N@@H+](CCNC(=O)Cn1cc[nH+]c1)CC[C@H]1CCOC1 ZINC001420361720 923575508 /nfs/dbraw/zinc/57/55/08/923575508.db2.gz KHJPUGPAUUJUKY-ZDUSSCGKSA-N 2 2 280.372 0.358 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]C[C@@H](C)NC(=O)C[NH+]2CCCC2)o1 ZINC001420370242 923587638 /nfs/dbraw/zinc/58/76/38/923587638.db2.gz KWZGRKQNXNIBDQ-MNOVXSKESA-N 2 2 295.387 0.629 20 0 CCADLP Cc1noc(C[NH2+]C[C@H](C)NC(=O)C2([NH+](C)C)CCC2)n1 ZINC001420441260 923668910 /nfs/dbraw/zinc/66/89/10/923668910.db2.gz YLCGXAFHJVRZHG-JTQLQIEISA-N 2 2 295.387 0.457 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001420577244 923796847 /nfs/dbraw/zinc/79/68/47/923796847.db2.gz VEFQVGWGVSFYTR-STQMWFEESA-N 2 2 280.372 0.356 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001420577244 923796855 /nfs/dbraw/zinc/79/68/55/923796855.db2.gz VEFQVGWGVSFYTR-STQMWFEESA-N 2 2 280.372 0.356 20 0 CCADLP C[C@@H](O)C[N@H+](C)C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001420602216 923816474 /nfs/dbraw/zinc/81/64/74/923816474.db2.gz SABHCDXVRIZZKM-VXGBXAGGSA-N 2 2 290.367 0.765 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001420602216 923816485 /nfs/dbraw/zinc/81/64/85/923816485.db2.gz SABHCDXVRIZZKM-VXGBXAGGSA-N 2 2 290.367 0.765 20 0 CCADLP COCC[N@@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001420877156 923998259 /nfs/dbraw/zinc/99/82/59/923998259.db2.gz XJNXBYGSVFYVGL-CYBMUJFWSA-N 2 2 294.399 0.843 20 0 CCADLP COCC[N@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001420877156 923998267 /nfs/dbraw/zinc/99/82/67/923998267.db2.gz XJNXBYGSVFYVGL-CYBMUJFWSA-N 2 2 294.399 0.843 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C[N@H+](C)CCO)CC1 ZINC001420964096 924059962 /nfs/dbraw/zinc/05/99/62/924059962.db2.gz AHPVOBXWNMGIQU-UHFFFAOYSA-N 2 2 294.399 0.423 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC(C[N@@H+](C)CCO)CC1 ZINC001420964096 924059974 /nfs/dbraw/zinc/05/99/74/924059974.db2.gz AHPVOBXWNMGIQU-UHFFFAOYSA-N 2 2 294.399 0.423 20 0 CCADLP CN(CCCCCC[NH3+])C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001346570842 924266125 /nfs/dbraw/zinc/26/61/25/924266125.db2.gz VBAFFXRTGRGAFM-UHFFFAOYSA-N 3 2 299.463 0.570 20 0 CCADLP Cc1[nH+]ccn1CC[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC001348537630 924720350 /nfs/dbraw/zinc/72/03/50/924720350.db2.gz OCJZULQWLOSLED-ZDUSSCGKSA-N 2 2 290.371 0.609 20 0 CCADLP COc1c(N)[nH+]cnc1N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001348565720 924729635 /nfs/dbraw/zinc/72/96/35/924729635.db2.gz RWYLEBFDBVDSSZ-LPEHRKFASA-N 2 2 263.345 0.820 20 0 CCADLP COc1c(N)[nH+]cnc1N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001348565720 924729642 /nfs/dbraw/zinc/72/96/42/924729642.db2.gz RWYLEBFDBVDSSZ-LPEHRKFASA-N 2 2 263.345 0.820 20 0 CCADLP C[C@H](C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)n1cc[nH+]c1 ZINC001349735507 925037236 /nfs/dbraw/zinc/03/72/36/925037236.db2.gz SGNNUFNNGCJMNA-AGIUHOORSA-N 2 2 262.357 0.997 20 0 CCADLP C[C@H](C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1)n1cc[nH+]c1 ZINC001349735507 925037244 /nfs/dbraw/zinc/03/72/44/925037244.db2.gz SGNNUFNNGCJMNA-AGIUHOORSA-N 2 2 262.357 0.997 20 0 CCADLP Cc1ccc(C[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cn1 ZINC001351678911 925455281 /nfs/dbraw/zinc/45/52/81/925455281.db2.gz IZXAIXNFLNKGDJ-UHFFFAOYSA-N 2 2 259.313 0.634 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CCO1 ZINC001353004715 925697485 /nfs/dbraw/zinc/69/74/85/925697485.db2.gz MRSVJUYHUJKEQX-NXEZZACHSA-N 2 2 266.345 0.262 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1cnon1)[NH+](C)C ZINC001480538947 925901004 /nfs/dbraw/zinc/90/10/04/925901004.db2.gz VEGRDPCTWWGILK-KOLCDFICSA-N 2 2 269.349 0.004 20 0 CCADLP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1[NH2+]CCc2occc21 ZINC001354398411 926101822 /nfs/dbraw/zinc/10/18/22/926101822.db2.gz XTIFVDODNAXFTO-MFKMUULPSA-N 2 2 263.341 0.677 20 0 CCADLP C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1[NH2+]CCc2occc21 ZINC001354398411 926101829 /nfs/dbraw/zinc/10/18/29/926101829.db2.gz XTIFVDODNAXFTO-MFKMUULPSA-N 2 2 263.341 0.677 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)c[nH+]1 ZINC001354683494 926152484 /nfs/dbraw/zinc/15/24/84/926152484.db2.gz OHGICWTWISUUDN-PWSUYJOCSA-N 2 2 264.373 0.898 20 0 CCADLP CC(C)[C@H](C[NH+](C)C)[NH2+]C[C@H](O)C1(O)CCCC1 ZINC001357243858 926501507 /nfs/dbraw/zinc/50/15/07/926501507.db2.gz VMBBYZIZHMQPPD-STQMWFEESA-N 2 2 258.406 0.828 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001357416759 926527376 /nfs/dbraw/zinc/52/73/76/926527376.db2.gz BQGLOCJONIDHDL-ZDUSSCGKSA-N 2 2 263.345 0.458 20 0 CCADLP C[C@@H]([NH2+]CCO)[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001421552012 926793293 /nfs/dbraw/zinc/79/32/93/926793293.db2.gz VRDMHTLYPUUIJC-CHWSQXEVSA-N 2 2 294.399 0.172 20 0 CCADLP CCC[N@@H+]1CCOC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001421696853 926862193 /nfs/dbraw/zinc/86/21/93/926862193.db2.gz DEWDAMVRQBHIFX-UONOGXRCSA-N 2 2 283.416 0.555 20 0 CCADLP CCC[N@H+]1CCOC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001421696853 926862200 /nfs/dbraw/zinc/86/22/00/926862200.db2.gz DEWDAMVRQBHIFX-UONOGXRCSA-N 2 2 283.416 0.555 20 0 CCADLP CCC[NH+]1CCOC[C@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001421696853 926862207 /nfs/dbraw/zinc/86/22/07/926862207.db2.gz DEWDAMVRQBHIFX-UONOGXRCSA-N 2 2 283.416 0.555 20 0 CCADLP CCC[NH+]1CCOC[C@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001421696853 926862219 /nfs/dbraw/zinc/86/22/19/926862219.db2.gz DEWDAMVRQBHIFX-UONOGXRCSA-N 2 2 283.416 0.555 20 0 CCADLP CO[C@@H](C)C[NH2+]C[C@@H](C)N(C)C(=O)CCc1[nH+]ccn1C ZINC001421931098 926998532 /nfs/dbraw/zinc/99/85/32/926998532.db2.gz DTPPURMQOGBGCR-OLZOCXBDSA-N 2 2 296.415 0.824 20 0 CCADLP C[C@H](C[NH2+]Cc1cccnc1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001421952098 927010997 /nfs/dbraw/zinc/01/09/97/927010997.db2.gz BQHHQNMSCSMZNT-GFCCVEGCSA-N 2 2 287.367 0.984 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001422000915 927029372 /nfs/dbraw/zinc/02/93/72/927029372.db2.gz XEQNGYMYKSABEE-GHMZBOCLSA-N 2 2 282.388 0.505 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001422142411 927094632 /nfs/dbraw/zinc/09/46/32/927094632.db2.gz HDQTWALHMIOQFQ-UPJWGTAASA-N 2 2 289.383 0.687 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001422142411 927094647 /nfs/dbraw/zinc/09/46/47/927094647.db2.gz HDQTWALHMIOQFQ-UPJWGTAASA-N 2 2 289.383 0.687 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001422142411 927094662 /nfs/dbraw/zinc/09/46/62/927094662.db2.gz HDQTWALHMIOQFQ-UPJWGTAASA-N 2 2 289.383 0.687 20 0 CCADLP C[C@H](C(=O)Nc1ncccn1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001422142411 927094677 /nfs/dbraw/zinc/09/46/77/927094677.db2.gz HDQTWALHMIOQFQ-UPJWGTAASA-N 2 2 289.383 0.687 20 0 CCADLP CO[C@@H](C)C[NH+]1CC([C@@H](C)NC(=O)Cc2c[nH+]cn2C)C1 ZINC001422756640 927491793 /nfs/dbraw/zinc/49/17/93/927491793.db2.gz UBIYGIBRZULZNW-NWDGAFQWSA-N 2 2 294.399 0.434 20 0 CCADLP C[C@@H]([NH2+]CCF)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001422853620 927553004 /nfs/dbraw/zinc/55/30/04/927553004.db2.gz MQSNNDWAJXHSAY-NEPJUHHUSA-N 2 2 284.335 0.058 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC001362071141 927583035 /nfs/dbraw/zinc/58/30/35/927583035.db2.gz FDNNAPMQYWKSML-RDBSUJKOSA-N 2 2 285.432 0.800 20 0 CCADLP C[C@@H](O)C[NH2+][C@@H](C)CN(C)C(=O)CCCn1cc[nH+]c1 ZINC001423180503 927717263 /nfs/dbraw/zinc/71/72/63/927717263.db2.gz CKJKLGORTHHEIW-QWHCGFSZSA-N 2 2 282.388 0.481 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](O)C[NH2+]CC(C)C ZINC001423487583 927886162 /nfs/dbraw/zinc/88/61/62/927886162.db2.gz ULAXWWIOFLQAIK-GFCCVEGCSA-N 2 2 282.388 0.326 20 0 CCADLP C[C@@H](O)C[NH2+]C1CC(N(C)C(=O)CCc2[nH+]ccn2C)C1 ZINC001423684617 927957024 /nfs/dbraw/zinc/95/70/24/927957024.db2.gz SPIPRJLOXDMAEL-PNESKVBLSA-N 2 2 294.399 0.313 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC1(O)C[NH+](CCC2CC2)C1 ZINC001423858121 928015479 /nfs/dbraw/zinc/01/54/79/928015479.db2.gz IRSXVSMTHJESRL-UHFFFAOYSA-N 2 2 292.383 0.236 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001424088452 928093094 /nfs/dbraw/zinc/09/30/94/928093094.db2.gz ISZFXGUXPOZPQI-AVGNSLFASA-N 2 2 294.399 0.598 20 0 CCADLP CCC[N@@H+]1CCOC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001424114493 928103878 /nfs/dbraw/zinc/10/38/78/928103878.db2.gz AXBFLLYIKUIVEG-CYBMUJFWSA-N 2 2 280.372 0.419 20 0 CCADLP CCC[N@H+]1CCOC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001424114493 928103882 /nfs/dbraw/zinc/10/38/82/928103882.db2.gz AXBFLLYIKUIVEG-CYBMUJFWSA-N 2 2 280.372 0.419 20 0 CCADLP C[NH+](C)CCC(=O)NCC1([NH2+]Cc2cnsn2)CCC1 ZINC001424196505 928122778 /nfs/dbraw/zinc/12/27/78/928122778.db2.gz LJYUWRVELDCCND-UHFFFAOYSA-N 2 2 297.428 0.618 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NC[C@H]1CCC[N@H+]1CCCO ZINC001362734533 928423428 /nfs/dbraw/zinc/42/34/28/928423428.db2.gz BAORDDSYDQCUFP-GFCCVEGCSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)NC[C@H]1CCC[N@@H+]1CCCO ZINC001362734533 928423434 /nfs/dbraw/zinc/42/34/34/928423434.db2.gz BAORDDSYDQCUFP-GFCCVEGCSA-N 2 2 280.372 0.305 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@]12CCC[C@@H]1[N@H+](CCO)CC2 ZINC001425910185 928706237 /nfs/dbraw/zinc/70/62/37/928706237.db2.gz NNAOVEORTHLOBE-ZFWWWQNUSA-N 2 2 292.383 0.379 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@]12CCC[C@@H]1[N@@H+](CCO)CC2 ZINC001425910185 928706244 /nfs/dbraw/zinc/70/62/44/928706244.db2.gz NNAOVEORTHLOBE-ZFWWWQNUSA-N 2 2 292.383 0.379 20 0 CCADLP C[NH+](C)CCC(=O)NCC1C[NH+](Cc2cncc(F)c2)C1 ZINC001443610091 929661756 /nfs/dbraw/zinc/66/17/56/929661756.db2.gz RHVVIIYNEVKAQR-UHFFFAOYSA-N 2 2 294.374 0.720 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1C[NH+](C[C@@H]2CCCOC2)C1 ZINC001443666378 929668728 /nfs/dbraw/zinc/66/87/28/929668728.db2.gz MECNDSWFBOEJAK-ZDUSSCGKSA-N 2 2 292.383 0.358 20 0 CCADLP CC[N@@H+]1CC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC001443774556 929696769 /nfs/dbraw/zinc/69/67/69/929696769.db2.gz XUFYYCXESPFMSY-OLZOCXBDSA-N 2 2 251.374 0.681 20 0 CCADLP CC[N@H+]1CC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC001443774556 929696772 /nfs/dbraw/zinc/69/67/72/929696772.db2.gz XUFYYCXESPFMSY-OLZOCXBDSA-N 2 2 251.374 0.681 20 0 CCADLP CC[NH+]1CC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001443774556 929696775 /nfs/dbraw/zinc/69/67/75/929696775.db2.gz XUFYYCXESPFMSY-OLZOCXBDSA-N 2 2 251.374 0.681 20 0 CCADLP CC[NH+]1CC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001443774556 929696778 /nfs/dbraw/zinc/69/67/78/929696778.db2.gz XUFYYCXESPFMSY-OLZOCXBDSA-N 2 2 251.374 0.681 20 0 CCADLP C[C@@H](O)C[N@H+](C)CCN(C)C(=O)CCc1c[nH+]cn1C ZINC001445069454 930020435 /nfs/dbraw/zinc/02/04/35/930020435.db2.gz KNAVCRPSEHHHBS-GFCCVEGCSA-N 2 2 282.388 0.124 20 0 CCADLP C[C@@H](O)C[N@@H+](C)CCN(C)C(=O)CCc1c[nH+]cn1C ZINC001445069454 930020443 /nfs/dbraw/zinc/02/04/43/930020443.db2.gz KNAVCRPSEHHHBS-GFCCVEGCSA-N 2 2 282.388 0.124 20 0 CCADLP C[C@@H](C[NH2+]Cc1ccns1)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001445539330 930163391 /nfs/dbraw/zinc/16/33/91/930163391.db2.gz UOUNHHHGCWCYSV-CMPLNLGQSA-N 2 2 298.412 0.068 20 0 CCADLP C[C@@H](C[NH2+]Cc1ccns1)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001445539330 930163393 /nfs/dbraw/zinc/16/33/93/930163393.db2.gz UOUNHHHGCWCYSV-CMPLNLGQSA-N 2 2 298.412 0.068 20 0 CCADLP Cc1nn(C)cc1C[NH2+]C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001445611219 930184116 /nfs/dbraw/zinc/18/41/16/930184116.db2.gz BCPKLYOKTHHCDL-JTQLQIEISA-N 2 2 290.371 0.289 20 0 CCADLP CC[C@@H](C[N@H+](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1)OC ZINC001445823144 930260624 /nfs/dbraw/zinc/26/06/24/930260624.db2.gz RQJFMXXZNAHAAE-AAEUAGOBSA-N 2 2 282.388 0.814 20 0 CCADLP CC[C@@H](C[N@@H+](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1)OC ZINC001445823144 930260637 /nfs/dbraw/zinc/26/06/37/930260637.db2.gz RQJFMXXZNAHAAE-AAEUAGOBSA-N 2 2 282.388 0.814 20 0 CCADLP C[C@@H](C[N@H+](C)Cc1ccn(C)n1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001445869020 930275641 /nfs/dbraw/zinc/27/56/41/930275641.db2.gz LZORRWDOEPYLFT-STQMWFEESA-N 2 2 293.415 0.308 20 0 CCADLP C[C@@H](C[N@@H+](C)Cc1ccn(C)n1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001445869020 930275649 /nfs/dbraw/zinc/27/56/49/930275649.db2.gz LZORRWDOEPYLFT-STQMWFEESA-N 2 2 293.415 0.308 20 0 CCADLP C[C@@H](C[NH+](C)Cc1ccn(C)n1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001445869020 930275654 /nfs/dbraw/zinc/27/56/54/930275654.db2.gz LZORRWDOEPYLFT-STQMWFEESA-N 2 2 293.415 0.308 20 0 CCADLP C[C@@H](C[NH+](C)Cc1ccn(C)n1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001445869020 930275659 /nfs/dbraw/zinc/27/56/59/930275659.db2.gz LZORRWDOEPYLFT-STQMWFEESA-N 2 2 293.415 0.308 20 0 CCADLP O=C(C[NH+]1CCCC1)N[C@H](C[NH2+]Cc1ccon1)C1CC1 ZINC001445991408 930300691 /nfs/dbraw/zinc/30/06/91/930300691.db2.gz VMQLEGCBMMOZRU-CQSZACIVSA-N 2 2 292.383 0.755 20 0 CCADLP C[C@H](O)C[NH2+]C1(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001446214487 930369604 /nfs/dbraw/zinc/36/96/04/930369604.db2.gz JOLUNYREXJPLEB-RYUDHWBXSA-N 2 2 292.383 0.065 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](CCC3CC3)CC2)C1 ZINC001374066034 930413951 /nfs/dbraw/zinc/41/39/51/930413951.db2.gz SLPLGAOADJNUOT-AWEZNQCLSA-N 2 2 281.400 0.261 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CC[NH+](CCC3CC3)CC2)C1 ZINC001374066034 930413957 /nfs/dbraw/zinc/41/39/57/930413957.db2.gz SLPLGAOADJNUOT-AWEZNQCLSA-N 2 2 281.400 0.261 20 0 CCADLP Cc1oncc1C[NH2+]C[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001374083012 930419126 /nfs/dbraw/zinc/41/91/26/930419126.db2.gz YLHHGYLPUBJWFD-JTQLQIEISA-N 2 2 291.355 0.791 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCC[C@@](C)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001446662402 930453860 /nfs/dbraw/zinc/45/38/60/930453860.db2.gz CHGRMSKTAZHRHN-DOMZBBRYSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](O)C[N@H+]1CCC[C@@](C)(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001446662402 930453868 /nfs/dbraw/zinc/45/38/68/930453868.db2.gz CHGRMSKTAZHRHN-DOMZBBRYSA-N 2 2 294.399 0.551 20 0 CCADLP CCC[NH+]1CC(O)(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001446884109 930507456 /nfs/dbraw/zinc/50/74/56/930507456.db2.gz BUTUOFSSPWZOEZ-UHFFFAOYSA-N 2 2 294.399 0.545 20 0 CCADLP CC[C@H](F)C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001374833448 930684805 /nfs/dbraw/zinc/68/48/05/930684805.db2.gz NXNRUQHRMVZGEL-MNOVXSKESA-N 2 2 270.352 0.805 20 0 CCADLP Cc1nocc1C[NH2+]C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001374964390 930736023 /nfs/dbraw/zinc/73/60/23/930736023.db2.gz JFUYYYRUVZDNLH-VIFPVBQESA-N 2 2 291.355 0.852 20 0 CCADLP C[C@@H](C[N@H+](C)CCCO)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001375066794 930781652 /nfs/dbraw/zinc/78/16/52/930781652.db2.gz YGOZFFVUULTGAS-QWHCGFSZSA-N 2 2 294.399 0.264 20 0 CCADLP C[C@@H](C[N@@H+](C)CCCO)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001375066794 930781655 /nfs/dbraw/zinc/78/16/55/930781655.db2.gz YGOZFFVUULTGAS-QWHCGFSZSA-N 2 2 294.399 0.264 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[N@H+](C)CCCO ZINC001448043866 930795711 /nfs/dbraw/zinc/79/57/11/930795711.db2.gz IOUQAFPWBKSFPP-STQMWFEESA-N 2 2 294.399 0.264 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[N@@H+](C)CCCO ZINC001448043866 930795720 /nfs/dbraw/zinc/79/57/20/930795720.db2.gz IOUQAFPWBKSFPP-STQMWFEESA-N 2 2 294.399 0.264 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC001375229452 930824950 /nfs/dbraw/zinc/82/49/50/930824950.db2.gz MWYNRDXWQRRUCK-GWCFXTLKSA-N 2 2 280.372 0.208 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H](NC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC001375229452 930824959 /nfs/dbraw/zinc/82/49/59/930824959.db2.gz MWYNRDXWQRRUCK-GWCFXTLKSA-N 2 2 280.372 0.208 20 0 CCADLP C[C@@H](O)C[NH+]1CC([C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001448304161 930871171 /nfs/dbraw/zinc/87/11/71/930871171.db2.gz LMADFLIVVKDRRZ-GHMZBOCLSA-N 2 2 280.372 0.160 20 0 CCADLP C[C@@H](O)C[NH+]1CC([C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001448304161 930871177 /nfs/dbraw/zinc/87/11/77/930871177.db2.gz LMADFLIVVKDRRZ-GHMZBOCLSA-N 2 2 280.372 0.160 20 0 CCADLP COC[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001376577980 931185318 /nfs/dbraw/zinc/18/53/18/931185318.db2.gz WLSZHZWZMSXODX-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP Cc1ncc(C[NH2+][C@H](C)CNC(=O)Cn2cc[nH+]c2)s1 ZINC001376890819 931314849 /nfs/dbraw/zinc/31/48/49/931314849.db2.gz YMIIZXRZGONVSI-SNVBAGLBSA-N 2 2 293.396 0.943 20 0 CCADLP CN(CCC[N@H+](C)CCF)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001376919104 931325321 /nfs/dbraw/zinc/32/53/21/931325321.db2.gz COVHERIDKJQKTK-LBPRGKRZSA-N 2 2 275.368 0.067 20 0 CCADLP CN(CCC[N@@H+](C)CCF)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001376919104 931325323 /nfs/dbraw/zinc/32/53/23/931325323.db2.gz COVHERIDKJQKTK-LBPRGKRZSA-N 2 2 275.368 0.067 20 0 CCADLP CN(CCC[NH+](C)CCF)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001376919104 931325331 /nfs/dbraw/zinc/32/53/31/931325331.db2.gz COVHERIDKJQKTK-LBPRGKRZSA-N 2 2 275.368 0.067 20 0 CCADLP CN(CCC[NH+](C)CCF)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001376919104 931325337 /nfs/dbraw/zinc/32/53/37/931325337.db2.gz COVHERIDKJQKTK-LBPRGKRZSA-N 2 2 275.368 0.067 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[C@H]([NH2+]CCO)C1 ZINC001376969341 931339986 /nfs/dbraw/zinc/33/99/86/931339986.db2.gz KXAKEMXSCQIBAA-QWHCGFSZSA-N 2 2 280.372 0.283 20 0 CCADLP O=C(CCn1cc[nH+]c1)N[C@H]1CCC[C@@H]([NH2+]CCO)C1 ZINC001376969333 931340225 /nfs/dbraw/zinc/34/02/25/931340225.db2.gz KXAKEMXSCQIBAA-OLZOCXBDSA-N 2 2 280.372 0.283 20 0 CCADLP CC[C@H](CSC)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000091099590 349450777 /nfs/dbraw/zinc/45/07/77/349450777.db2.gz FZOVTDFVBGUZGJ-GFCCVEGCSA-N 2 2 273.446 0.834 20 0 CCADLP CC[C@H](CSC)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000091099590 349450780 /nfs/dbraw/zinc/45/07/80/349450780.db2.gz FZOVTDFVBGUZGJ-GFCCVEGCSA-N 2 2 273.446 0.834 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000337446868 214086665 /nfs/dbraw/zinc/08/66/65/214086665.db2.gz IWCMXCDEEIFPTP-NSHDSACASA-N 2 2 257.359 0.310 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000337446868 214086667 /nfs/dbraw/zinc/08/66/67/214086667.db2.gz IWCMXCDEEIFPTP-NSHDSACASA-N 2 2 257.359 0.310 20 0 CCADLP COC(=O)C1CCC([NH2+]CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000617303025 365596846 /nfs/dbraw/zinc/59/68/46/365596846.db2.gz GBUWCBHIOXWZDN-UHFFFAOYSA-N 2 2 297.399 0.082 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000093187977 349529495 /nfs/dbraw/zinc/52/94/95/349529495.db2.gz UUJCSTKPXMDBEC-OKILXGFUSA-N 2 2 265.401 0.882 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000093187977 349529498 /nfs/dbraw/zinc/52/94/98/349529498.db2.gz UUJCSTKPXMDBEC-OKILXGFUSA-N 2 2 265.401 0.882 20 0 CCADLP C[NH+](C)C[C@@H]1C[N@H+](C[C@H]2CCCC[C@@H]2O)CCO1 ZINC000514733782 282127807 /nfs/dbraw/zinc/12/78/07/282127807.db2.gz ORJSQIOGLLUCCB-MCIONIFRSA-N 2 2 256.390 0.800 20 0 CCADLP C[NH+](C)C[C@@H]1C[N@@H+](C[C@H]2CCCC[C@@H]2O)CCO1 ZINC000514733782 282127809 /nfs/dbraw/zinc/12/78/09/282127809.db2.gz ORJSQIOGLLUCCB-MCIONIFRSA-N 2 2 256.390 0.800 20 0 CCADLP CCN(C(=O)CCc1c[nH+]cn1C)[C@@H]1CC[N@H+](C)C1 ZINC000617551540 365671325 /nfs/dbraw/zinc/67/13/25/365671325.db2.gz UFDKQVVICFYNIX-CYBMUJFWSA-N 2 2 264.373 0.905 20 0 CCADLP CCN(C(=O)CCc1c[nH+]cn1C)[C@@H]1CC[N@@H+](C)C1 ZINC000617551540 365671327 /nfs/dbraw/zinc/67/13/27/365671327.db2.gz UFDKQVVICFYNIX-CYBMUJFWSA-N 2 2 264.373 0.905 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3nnnn3C3CC3)C[C@@H]21 ZINC000125329414 187179884 /nfs/dbraw/zinc/17/98/84/187179884.db2.gz FMZVWRVFDMLSSR-ADEWGFFLSA-N 2 2 262.361 0.567 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3nnnn3C3CC3)C[C@@H]21 ZINC000125329414 187179885 /nfs/dbraw/zinc/17/98/85/187179885.db2.gz FMZVWRVFDMLSSR-ADEWGFFLSA-N 2 2 262.361 0.567 20 0 CCADLP CC[C@H]([NH3+])C(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1 ZINC000423885367 529440939 /nfs/dbraw/zinc/44/09/39/529440939.db2.gz ZBXIPLRKCHTQQG-OLZOCXBDSA-N 2 2 269.389 0.293 20 0 CCADLP CC[C@H]([NH3+])C(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1 ZINC000423885367 529440941 /nfs/dbraw/zinc/44/09/41/529440941.db2.gz ZBXIPLRKCHTQQG-OLZOCXBDSA-N 2 2 269.389 0.293 20 0 CCADLP CC[C@H]([NH3+])C(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000423885370 529440961 /nfs/dbraw/zinc/44/09/61/529440961.db2.gz ZBXIPLRKCHTQQG-STQMWFEESA-N 2 2 269.389 0.293 20 0 CCADLP CC[C@H]([NH3+])C(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000423885370 529440963 /nfs/dbraw/zinc/44/09/63/529440963.db2.gz ZBXIPLRKCHTQQG-STQMWFEESA-N 2 2 269.389 0.293 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000418729185 529445353 /nfs/dbraw/zinc/44/53/53/529445353.db2.gz NSUQASVTCCNHQM-NWDGAFQWSA-N 2 2 294.403 0.535 20 0 CCADLP C[C@H]1C[NH+](C)CCN1CCOCCN1CC[N@@H+](C)C[C@@H]1C ZINC000101241192 349661188 /nfs/dbraw/zinc/66/11/88/349661188.db2.gz BFGVVZMBXFBVCX-HOTGVXAUSA-N 2 2 298.475 0.275 20 0 CCADLP C[C@H]1C[NH+](C)CCN1CCOCCN1CC[N@H+](C)C[C@@H]1C ZINC000101241192 349661192 /nfs/dbraw/zinc/66/11/92/349661192.db2.gz BFGVVZMBXFBVCX-HOTGVXAUSA-N 2 2 298.475 0.275 20 0 CCADLP C[C@H]1C[N@H+](C)CCN1CCOCC[NH+]1CCN(C)C[C@@H]1C ZINC000101241192 349661197 /nfs/dbraw/zinc/66/11/97/349661197.db2.gz BFGVVZMBXFBVCX-HOTGVXAUSA-N 2 2 298.475 0.275 20 0 CCADLP C[C@H]1C[N@@H+](C)CCN1CCOCC[NH+]1CCN(C)C[C@@H]1C ZINC000101241192 349661199 /nfs/dbraw/zinc/66/11/99/349661199.db2.gz BFGVVZMBXFBVCX-HOTGVXAUSA-N 2 2 298.475 0.275 20 0 CCADLP C[C@H]1C[NH+](C)CCN1CCOCC[N@@H+]1CCN(C)C[C@@H]1C ZINC000101241192 349661201 /nfs/dbraw/zinc/66/12/01/349661201.db2.gz BFGVVZMBXFBVCX-HOTGVXAUSA-N 2 2 298.475 0.275 20 0 CCADLP C[C@H]1C[NH+](C)CCN1CCOCC[N@H+]1CCN(C)C[C@@H]1C ZINC000101241192 349661204 /nfs/dbraw/zinc/66/12/04/349661204.db2.gz BFGVVZMBXFBVCX-HOTGVXAUSA-N 2 2 298.475 0.275 20 0 CCADLP CCc1cc(N2CC[N@H+](CCO)C[C@@H]2C)nc(C)[nH+]1 ZINC000450954210 529534620 /nfs/dbraw/zinc/53/46/20/529534620.db2.gz MUBGANPSLBOBNQ-NSHDSACASA-N 2 2 264.373 0.850 20 0 CCADLP CCc1cc(N2CC[N@@H+](CCO)C[C@@H]2C)nc(C)[nH+]1 ZINC000450954210 529534624 /nfs/dbraw/zinc/53/46/24/529534624.db2.gz MUBGANPSLBOBNQ-NSHDSACASA-N 2 2 264.373 0.850 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000492716721 529550759 /nfs/dbraw/zinc/55/07/59/529550759.db2.gz FWCONKDLLLLQCM-MUBLQREKSA-N 2 2 292.383 0.441 20 0 CCADLP CCn1cc[nH+]c1/C=C/C(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000492716721 529550764 /nfs/dbraw/zinc/55/07/64/529550764.db2.gz FWCONKDLLLLQCM-MUBLQREKSA-N 2 2 292.383 0.441 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000104161219 349710301 /nfs/dbraw/zinc/71/03/01/349710301.db2.gz DNWUOKWCHZOTLR-LBPRGKRZSA-N 2 2 258.325 0.779 20 0 CCADLP CCN(CC)C(=O)C[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107369159 349736921 /nfs/dbraw/zinc/73/69/21/349736921.db2.gz ZRNDJNPQESRWMX-HNNXBMFYSA-N 2 2 296.459 0.567 20 0 CCADLP CCN(CC)C(=O)C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107369159 349736925 /nfs/dbraw/zinc/73/69/25/349736925.db2.gz ZRNDJNPQESRWMX-HNNXBMFYSA-N 2 2 296.459 0.567 20 0 CCADLP CCCCNC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107369774 349737103 /nfs/dbraw/zinc/73/71/03/349737103.db2.gz AUTJRZOPCVGSCY-HNNXBMFYSA-N 2 2 296.459 0.615 20 0 CCADLP CCCCNC(=O)C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107369774 349737105 /nfs/dbraw/zinc/73/71/05/349737105.db2.gz AUTJRZOPCVGSCY-HNNXBMFYSA-N 2 2 296.459 0.615 20 0 CCADLP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)C1(C(=O)OC)CCC1 ZINC000423580221 529621493 /nfs/dbraw/zinc/62/14/93/529621493.db2.gz XKUBCTFUIMXWRD-NEPJUHHUSA-N 2 2 270.373 0.686 20 0 CCADLP Cn1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cn1 ZINC000112839535 349794272 /nfs/dbraw/zinc/79/42/72/349794272.db2.gz ZVKKIZOPFWDHFM-OLZOCXBDSA-N 2 2 250.346 0.373 20 0 CCADLP Cn1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cn1 ZINC000112839535 349794274 /nfs/dbraw/zinc/79/42/74/349794274.db2.gz ZVKKIZOPFWDHFM-OLZOCXBDSA-N 2 2 250.346 0.373 20 0 CCADLP CC[C@H]1C[N@H+](Cc2cnc(C(=O)OC)cn2)CC[C@@H]1[NH3+] ZINC000600711881 362042644 /nfs/dbraw/zinc/04/26/44/362042644.db2.gz TWPMYAGJJVIIGQ-JQWIXIFHSA-N 2 2 278.356 0.822 20 0 CCADLP CC[C@H]1C[N@@H+](Cc2cnc(C(=O)OC)cn2)CC[C@@H]1[NH3+] ZINC000600711881 362042648 /nfs/dbraw/zinc/04/26/48/362042648.db2.gz TWPMYAGJJVIIGQ-JQWIXIFHSA-N 2 2 278.356 0.822 20 0 CCADLP CCC(CC)[C@@H](C(=O)NC[C@@H]([NH3+])CC)[NH+]1CCOCC1 ZINC000449610683 282223679 /nfs/dbraw/zinc/22/36/79/282223679.db2.gz RPMCDKPADNOREE-KBPBESRZSA-N 2 2 285.432 0.977 20 0 CCADLP CCC(CC)[C@H](C(=O)NCC[NH3+])[NH+]1CCOCC1 ZINC000158696546 282254041 /nfs/dbraw/zinc/25/40/41/282254041.db2.gz ARWQSEZKMTWCCE-GFCCVEGCSA-N 2 2 257.378 0.198 20 0 CCADLP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000156362663 282255176 /nfs/dbraw/zinc/25/51/76/282255176.db2.gz FLQCYTSZRLWZLU-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NCC[NH+]1C[C@@H](C)OC[C@H]1C ZINC000617735551 365745869 /nfs/dbraw/zinc/74/58/69/365745869.db2.gz QZONOASVRJXXTM-CHWSQXEVSA-N 2 2 271.405 0.552 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NCC[NH+]1C[C@@H](C)OC[C@H]1C ZINC000617735551 365745878 /nfs/dbraw/zinc/74/58/78/365745878.db2.gz QZONOASVRJXXTM-CHWSQXEVSA-N 2 2 271.405 0.552 20 0 CCADLP CC(C)[NH+](C)CC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000617735551 365745885 /nfs/dbraw/zinc/74/58/85/365745885.db2.gz QZONOASVRJXXTM-CHWSQXEVSA-N 2 2 271.405 0.552 20 0 CCADLP CC(C)[NH+](C)CC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000617735551 365745889 /nfs/dbraw/zinc/74/58/89/365745889.db2.gz QZONOASVRJXXTM-CHWSQXEVSA-N 2 2 271.405 0.552 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCCOCC1 ZINC000617764089 365766099 /nfs/dbraw/zinc/76/60/99/365766099.db2.gz IKHRCFNNVUQYOC-CQSZACIVSA-N 2 2 285.432 0.803 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCCOCC1 ZINC000617764089 365766109 /nfs/dbraw/zinc/76/61/09/365766109.db2.gz IKHRCFNNVUQYOC-CQSZACIVSA-N 2 2 285.432 0.803 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@H]1CCOC1 ZINC000617764683 365767992 /nfs/dbraw/zinc/76/79/92/365767992.db2.gz BZZGGDJBKFTZGX-CYBMUJFWSA-N 2 2 271.405 0.413 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@H]1CCOC1 ZINC000617764683 365767999 /nfs/dbraw/zinc/76/79/99/365767999.db2.gz BZZGGDJBKFTZGX-CYBMUJFWSA-N 2 2 271.405 0.413 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1C[C@]12CCOC2 ZINC000617764982 365768476 /nfs/dbraw/zinc/76/84/76/365768476.db2.gz OWVBQHWVHWXJCT-ZFWWWQNUSA-N 2 2 283.416 0.413 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@]12CCOC2 ZINC000617764982 365768481 /nfs/dbraw/zinc/76/84/81/365768481.db2.gz OWVBQHWVHWXJCT-ZFWWWQNUSA-N 2 2 283.416 0.413 20 0 CCADLP OC[C@H]1CCCCN1c1cc(N[C@@H]2CC[NH2+]C2)nc[nH+]1 ZINC000333478688 136411210 /nfs/dbraw/zinc/41/12/10/136411210.db2.gz FIFZWOZOSHHHRV-VXGBXAGGSA-N 2 2 277.372 0.602 20 0 CCADLP CN1CC[NH2+]C[C@H]1CNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000449699214 529780141 /nfs/dbraw/zinc/78/01/41/529780141.db2.gz PJUIHVFLIAEPAA-HNNXBMFYSA-N 2 2 299.378 0.506 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000423753303 529789833 /nfs/dbraw/zinc/78/98/33/529789833.db2.gz XFABAOXOKBDJNF-MBNYWOFBSA-N 2 2 269.389 0.341 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000423753303 529789835 /nfs/dbraw/zinc/78/98/35/529789835.db2.gz XFABAOXOKBDJNF-MBNYWOFBSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)CN1CC[NH+](C)CC1 ZINC000114379703 349828737 /nfs/dbraw/zinc/82/87/37/349828737.db2.gz PZLMCDRLBGXLCT-KGLIPLIRSA-N 2 2 282.432 0.080 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)CN1CC[NH+](C)CC1 ZINC000114379703 349828740 /nfs/dbraw/zinc/82/87/40/349828740.db2.gz PZLMCDRLBGXLCT-KGLIPLIRSA-N 2 2 282.432 0.080 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@@]2(CCO)CCOC2)n1C ZINC000425331588 529810578 /nfs/dbraw/zinc/81/05/78/529810578.db2.gz BXDHRBYICDVEOC-ZDUSSCGKSA-N 2 2 268.361 0.117 20 0 CCADLP CNC(=O)[C@@H]1CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425341164 529906875 /nfs/dbraw/zinc/90/68/75/529906875.db2.gz CGKNMLFDMJJEIK-SNVBAGLBSA-N 2 2 265.361 0.054 20 0 CCADLP CNC(=O)[C@@H]1CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425341164 529906876 /nfs/dbraw/zinc/90/68/76/529906876.db2.gz CGKNMLFDMJJEIK-SNVBAGLBSA-N 2 2 265.361 0.054 20 0 CCADLP CN(C[C@@H](O)C[NH+]1CCOCC1)C(C)(C)C[NH+]1CCCC1 ZINC000419370627 529942541 /nfs/dbraw/zinc/94/25/41/529942541.db2.gz BNPMLGMGKULDOO-OAHLLOKOSA-N 2 2 299.459 0.486 20 0 CCADLP C[NH2+]CC(=O)N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000423933363 529956353 /nfs/dbraw/zinc/95/63/53/529956353.db2.gz RUBRWGHGUAWQRA-HOCLYGCPSA-N 2 2 291.395 0.736 20 0 CCADLP C[NH2+]CC(=O)N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000423933363 529956354 /nfs/dbraw/zinc/95/63/54/529956354.db2.gz RUBRWGHGUAWQRA-HOCLYGCPSA-N 2 2 291.395 0.736 20 0 CCADLP C[NH2+]CCNC(=O)NCCCCNc1cccc[nH+]1 ZINC000418325647 529976443 /nfs/dbraw/zinc/97/64/43/529976443.db2.gz JKQPHRDYEKYRQN-UHFFFAOYSA-N 2 2 265.361 0.792 20 0 CCADLP C[N@@H+]1CCN(C(=O)/C=C\c2cscn2)[C@@H](C[NH3+])C1 ZINC000493791910 530066228 /nfs/dbraw/zinc/06/62/28/530066228.db2.gz ZUUAXQFHTYZZPE-QUCGXOGASA-N 2 2 266.370 0.258 20 0 CCADLP C[N@H+]1CCN(C(=O)/C=C\c2cscn2)[C@@H](C[NH3+])C1 ZINC000493791910 530066229 /nfs/dbraw/zinc/06/62/29/530066229.db2.gz ZUUAXQFHTYZZPE-QUCGXOGASA-N 2 2 266.370 0.258 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](c3ccco3)C2)CC1 ZINC000367567821 530067966 /nfs/dbraw/zinc/06/79/66/530067966.db2.gz ZKPLIGDHYUFWPP-CYBMUJFWSA-N 2 2 277.368 0.843 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](c3ccco3)C2)CC1 ZINC000367567821 530067967 /nfs/dbraw/zinc/06/79/67/530067967.db2.gz ZKPLIGDHYUFWPP-CYBMUJFWSA-N 2 2 277.368 0.843 20 0 CCADLP CCn1nc(C)c(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1C ZINC000358154699 232053978 /nfs/dbraw/zinc/05/39/78/232053978.db2.gz DXHKVAHWFJFAKR-AWEZNQCLSA-N 2 2 266.389 0.676 20 0 CCADLP CCn1nc(C)c(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1C ZINC000358154699 232053982 /nfs/dbraw/zinc/05/39/82/232053982.db2.gz DXHKVAHWFJFAKR-AWEZNQCLSA-N 2 2 266.389 0.676 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000358389262 232094396 /nfs/dbraw/zinc/09/43/96/232094396.db2.gz CWCUSDWWLMFZQG-JSGCOSHPSA-N 2 2 282.432 0.079 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000358389262 232094399 /nfs/dbraw/zinc/09/43/99/232094399.db2.gz CWCUSDWWLMFZQG-JSGCOSHPSA-N 2 2 282.432 0.079 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C[C@H]3CCCO3)C2)CC1 ZINC000602200174 362555139 /nfs/dbraw/zinc/55/51/39/362555139.db2.gz GKDSNRBYWQRTNN-UKRRQHHQSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C[C@H]3CCCO3)C2)CC1 ZINC000602200174 362555142 /nfs/dbraw/zinc/55/51/42/362555142.db2.gz GKDSNRBYWQRTNN-UKRRQHHQSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000532763160 290769465 /nfs/dbraw/zinc/76/94/65/290769465.db2.gz FPHMUCOXRCKDPK-RYUDHWBXSA-N 2 2 273.340 0.847 20 0 CCADLP COC(=O)c1oc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1C ZINC000602599209 362704104 /nfs/dbraw/zinc/70/41/04/362704104.db2.gz TUQMKYQXIDYOHD-NSHDSACASA-N 2 2 297.355 0.270 20 0 CCADLP CCN(C#N)CC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000602799415 362807563 /nfs/dbraw/zinc/80/75/63/362807563.db2.gz SPKZDGFEURVTJK-RRFJBIMHSA-N 2 2 280.416 0.973 20 0 CCADLP CCN(C#N)CC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000602799415 362807569 /nfs/dbraw/zinc/80/75/69/362807569.db2.gz SPKZDGFEURVTJK-RRFJBIMHSA-N 2 2 280.416 0.973 20 0 CCADLP CCN(C#N)CC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000602825401 362822258 /nfs/dbraw/zinc/82/22/58/362822258.db2.gz KUEHBOJXCRIVNJ-OAHLLOKOSA-N 2 2 280.416 0.976 20 0 CCADLP CCN(C#N)CC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000602825401 362822265 /nfs/dbraw/zinc/82/22/65/362822265.db2.gz KUEHBOJXCRIVNJ-OAHLLOKOSA-N 2 2 280.416 0.976 20 0 CCADLP C[C@H](c1ccccn1)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093236760 136808261 /nfs/dbraw/zinc/80/82/61/136808261.db2.gz NPBFMRMBALVHSF-CYBMUJFWSA-N 2 2 276.384 0.848 20 0 CCADLP C[C@H](c1ccccn1)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000093236760 136808262 /nfs/dbraw/zinc/80/82/62/136808262.db2.gz NPBFMRMBALVHSF-CYBMUJFWSA-N 2 2 276.384 0.848 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)no1 ZINC000261579332 137010159 /nfs/dbraw/zinc/01/01/59/137010159.db2.gz DSJJJRPYZWSLEC-HBNTYKKESA-N 2 2 264.329 0.591 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)no1 ZINC000261579332 137010160 /nfs/dbraw/zinc/01/01/60/137010160.db2.gz DSJJJRPYZWSLEC-HBNTYKKESA-N 2 2 264.329 0.591 20 0 CCADLP C[C@@H]([NH3+])CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000261645435 137013445 /nfs/dbraw/zinc/01/34/45/137013445.db2.gz XMLHHVGDVCZVSW-UKRRQHHQSA-N 2 2 291.395 0.741 20 0 CCADLP C[C@@H]([NH3+])CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000261645435 137013446 /nfs/dbraw/zinc/01/34/46/137013446.db2.gz XMLHHVGDVCZVSW-UKRRQHHQSA-N 2 2 291.395 0.741 20 0 CCADLP COc1c(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c(C)nn1C ZINC000261645417 137013480 /nfs/dbraw/zinc/01/34/80/137013480.db2.gz XLZOJSQJZBDNRO-AWEZNQCLSA-N 2 2 264.373 0.923 20 0 CCADLP COc1c(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c(C)nn1C ZINC000261645417 137013481 /nfs/dbraw/zinc/01/34/81/137013481.db2.gz XLZOJSQJZBDNRO-AWEZNQCLSA-N 2 2 264.373 0.923 20 0 CCADLP Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261653489 137014344 /nfs/dbraw/zinc/01/43/44/137014344.db2.gz JXRBAMYROFXHLW-XQQFMLRXSA-N 2 2 291.399 0.645 20 0 CCADLP Cc1nn(C)c(C)c1NC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261653489 137014345 /nfs/dbraw/zinc/01/43/45/137014345.db2.gz JXRBAMYROFXHLW-XQQFMLRXSA-N 2 2 291.399 0.645 20 0 CCADLP C[C@@H](C(=O)NCCc1cn2ccccc2[nH+]1)C1C[NH2+]C1 ZINC000262470619 137044459 /nfs/dbraw/zinc/04/44/59/137044459.db2.gz YIBDFDUZAZCSQG-LLVKDONJSA-N 2 2 272.352 0.849 20 0 CCADLP O=C1c2ccccc2C(=O)N1CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000262518184 137045524 /nfs/dbraw/zinc/04/55/24/137045524.db2.gz NUBBODYEPHTAJM-SWLSCSKDSA-N 2 2 299.374 0.966 20 0 CCADLP O=C1c2ccccc2C(=O)N1CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000262518184 137045525 /nfs/dbraw/zinc/04/55/25/137045525.db2.gz NUBBODYEPHTAJM-SWLSCSKDSA-N 2 2 299.374 0.966 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000262704297 137050934 /nfs/dbraw/zinc/05/09/34/137050934.db2.gz KWFZPHFZENLNNT-OCCSQVGLSA-N 2 2 270.421 0.256 20 0 CCADLP O=C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262736406 137051819 /nfs/dbraw/zinc/05/18/19/137051819.db2.gz CEXAIUPSANQYES-LBPRGKRZSA-N 2 2 287.354 0.974 20 0 CCADLP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263180856 137059770 /nfs/dbraw/zinc/05/97/70/137059770.db2.gz GTDALBIHXVBHSL-MNOVXSKESA-N 2 2 275.343 0.784 20 0 CCADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263180856 137059771 /nfs/dbraw/zinc/05/97/71/137059771.db2.gz GTDALBIHXVBHSL-MNOVXSKESA-N 2 2 275.343 0.784 20 0 CCADLP C[NH+](C)[C@@]1(CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)CCSC1 ZINC000263050762 137057810 /nfs/dbraw/zinc/05/78/10/137057810.db2.gz ULLVVRPFJBBJPS-MWLCHTKSSA-N 2 2 293.383 0.537 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261896163 137024831 /nfs/dbraw/zinc/02/48/31/137024831.db2.gz ULUQZAYEJZDEMD-CHWSQXEVSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261896163 137024832 /nfs/dbraw/zinc/02/48/32/137024832.db2.gz ULUQZAYEJZDEMD-CHWSQXEVSA-N 2 2 269.389 0.213 20 0 CCADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261904949 137025287 /nfs/dbraw/zinc/02/52/87/137025287.db2.gz WVDYICXDBKUJAQ-CJNGLKHVSA-N 2 2 294.443 0.271 20 0 CCADLP c1nc2cnccn2c1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261973990 137026830 /nfs/dbraw/zinc/02/68/30/137026830.db2.gz ILXSLPSZOGPGPS-AWEZNQCLSA-N 2 2 257.341 0.915 20 0 CCADLP c1nc2cnccn2c1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261973990 137026831 /nfs/dbraw/zinc/02/68/31/137026831.db2.gz ILXSLPSZOGPGPS-AWEZNQCLSA-N 2 2 257.341 0.915 20 0 CCADLP CCn1nccc1C[N@H+](CCO)C[C@]1(C)CC[NH2+]C1 ZINC000262016574 137028560 /nfs/dbraw/zinc/02/85/60/137028560.db2.gz MUTLFSVHARWQHU-CQSZACIVSA-N 2 2 266.389 0.697 20 0 CCADLP CCn1nccc1C[N@@H+](CCO)C[C@]1(C)CC[NH2+]C1 ZINC000262016574 137028561 /nfs/dbraw/zinc/02/85/61/137028561.db2.gz MUTLFSVHARWQHU-CQSZACIVSA-N 2 2 266.389 0.697 20 0 CCADLP CC[N@H+](CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1)C(C)C ZINC000263298521 137063464 /nfs/dbraw/zinc/06/34/64/137063464.db2.gz WRYGUNHYJGEXFB-SNVBAGLBSA-N 2 2 263.332 0.830 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1)C(C)C ZINC000263298521 137063465 /nfs/dbraw/zinc/06/34/65/137063465.db2.gz WRYGUNHYJGEXFB-SNVBAGLBSA-N 2 2 263.332 0.830 20 0 CCADLP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1csc(C2CC2)n1 ZINC000263316202 137063967 /nfs/dbraw/zinc/06/39/67/137063967.db2.gz ZNCUZWRDYAHBIB-GXSJLCMTSA-N 2 2 253.371 0.690 20 0 CCADLP CC[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)CCCO1 ZINC000310951752 137073394 /nfs/dbraw/zinc/07/33/94/137073394.db2.gz NZAQRUKQYUSSHR-UONOGXRCSA-N 2 2 256.390 0.942 20 0 CCADLP CC[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)CCCO1 ZINC000310951752 137073395 /nfs/dbraw/zinc/07/33/95/137073395.db2.gz NZAQRUKQYUSSHR-UONOGXRCSA-N 2 2 256.390 0.942 20 0 CCADLP CC[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CCCO1 ZINC000310951752 137073396 /nfs/dbraw/zinc/07/33/96/137073396.db2.gz NZAQRUKQYUSSHR-UONOGXRCSA-N 2 2 256.390 0.942 20 0 CCADLP CC[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CCCO1 ZINC000310951752 137073397 /nfs/dbraw/zinc/07/33/97/137073397.db2.gz NZAQRUKQYUSSHR-UONOGXRCSA-N 2 2 256.390 0.942 20 0 CCADLP CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)C[C@@H]1CCCO1 ZINC000311126594 137074176 /nfs/dbraw/zinc/07/41/76/137074176.db2.gz YUVIVFVQTIXCFM-KGLIPLIRSA-N 2 2 256.390 0.942 20 0 CCADLP CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)C[C@@H]1CCCO1 ZINC000311126594 137074177 /nfs/dbraw/zinc/07/41/77/137074177.db2.gz YUVIVFVQTIXCFM-KGLIPLIRSA-N 2 2 256.390 0.942 20 0 CCADLP CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)C[C@@H]1CCCO1 ZINC000311126594 137074178 /nfs/dbraw/zinc/07/41/78/137074178.db2.gz YUVIVFVQTIXCFM-KGLIPLIRSA-N 2 2 256.390 0.942 20 0 CCADLP CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)C[C@@H]1CCCO1 ZINC000311126594 137074179 /nfs/dbraw/zinc/07/41/79/137074179.db2.gz YUVIVFVQTIXCFM-KGLIPLIRSA-N 2 2 256.390 0.942 20 0 CCADLP [NH3+]CCN(CCO)Cc1[nH+]ccn1Cc1ccccc1 ZINC000342392319 137090777 /nfs/dbraw/zinc/09/07/77/137090777.db2.gz SLXCNHNMUOZWFR-UHFFFAOYSA-N 2 2 274.368 0.684 20 0 CCADLP C[C@@H]1[C@H](Nc2cc(-n3cccn3)nc(N)[nH+]2)CCC[N@@H+]1C ZINC000343473445 137137557 /nfs/dbraw/zinc/13/75/57/137137557.db2.gz KSKYLRYKEUWCRJ-GHMZBOCLSA-N 2 2 287.371 0.969 20 0 CCADLP C[C@@H]1[C@H](Nc2cc(-n3cccn3)nc(N)[nH+]2)CCC[N@H+]1C ZINC000343473445 137137558 /nfs/dbraw/zinc/13/75/58/137137558.db2.gz KSKYLRYKEUWCRJ-GHMZBOCLSA-N 2 2 287.371 0.969 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC([NH2+][C@@H]2CCCOC2)CC1 ZINC000343923341 137166767 /nfs/dbraw/zinc/16/67/67/137166767.db2.gz GTVFQRQNGUJQHH-MRXNPFEDSA-N 2 2 297.443 0.552 20 0 CCADLP C(C[NH+]1CCC([NH2+][C@@H]2CCCOC2)CC1)N1CCOCC1 ZINC000343923341 137166768 /nfs/dbraw/zinc/16/67/68/137166768.db2.gz GTVFQRQNGUJQHH-MRXNPFEDSA-N 2 2 297.443 0.552 20 0 CCADLP C[N@H+](CCN1C[C@H]2CC[C@@H](C1)O2)C1CC[NH+](CCO)CC1 ZINC000343319286 137127660 /nfs/dbraw/zinc/12/76/60/137127660.db2.gz ZIOPCGSKOSSLMV-IYBDPMFKSA-N 2 2 297.443 0.238 20 0 CCADLP C[N@@H+](CCN1C[C@H]2CC[C@@H](C1)O2)C1CC[NH+](CCO)CC1 ZINC000343319286 137127661 /nfs/dbraw/zinc/12/76/61/137127661.db2.gz ZIOPCGSKOSSLMV-IYBDPMFKSA-N 2 2 297.443 0.238 20 0 CCADLP CN(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)C1CC[NH+](CCO)CC1 ZINC000343319286 137127662 /nfs/dbraw/zinc/12/76/62/137127662.db2.gz ZIOPCGSKOSSLMV-IYBDPMFKSA-N 2 2 297.443 0.238 20 0 CCADLP CN(CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C1CC[NH+](CCO)CC1 ZINC000343319286 137127663 /nfs/dbraw/zinc/12/76/63/137127663.db2.gz ZIOPCGSKOSSLMV-IYBDPMFKSA-N 2 2 297.443 0.238 20 0 CCADLP CC(C)[C@H](C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)[NH+](C)C ZINC000344348838 137189818 /nfs/dbraw/zinc/18/98/18/137189818.db2.gz RKZSXOBYHOEHKA-ZWNOBZJWSA-N 2 2 264.373 0.969 20 0 CCADLP CC(C)[C@H](C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)[NH+](C)C ZINC000344348838 137189819 /nfs/dbraw/zinc/18/98/19/137189819.db2.gz RKZSXOBYHOEHKA-ZWNOBZJWSA-N 2 2 264.373 0.969 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)CN2CC[NH+](C)C[C@@H]2C)C[C@H](C)O1 ZINC000344372144 137191114 /nfs/dbraw/zinc/19/11/14/137191114.db2.gz JEAJMNKMGLPEIT-XQLPTFJDSA-N 2 2 285.432 0.092 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)CN2CC[NH+](C)C[C@@H]2C)C[C@H](C)O1 ZINC000344372144 137191115 /nfs/dbraw/zinc/19/11/15/137191115.db2.gz JEAJMNKMGLPEIT-XQLPTFJDSA-N 2 2 285.432 0.092 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN2CC[N@H+](C)C[C@@H]2C)C[C@H](C)O1 ZINC000344372144 137191116 /nfs/dbraw/zinc/19/11/16/137191116.db2.gz JEAJMNKMGLPEIT-XQLPTFJDSA-N 2 2 285.432 0.092 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN2CC[N@@H+](C)C[C@@H]2C)C[C@H](C)O1 ZINC000344372144 137191117 /nfs/dbraw/zinc/19/11/17/137191117.db2.gz JEAJMNKMGLPEIT-XQLPTFJDSA-N 2 2 285.432 0.092 20 0 CCADLP Cc1ncc(C[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)cn1 ZINC000344211762 137184171 /nfs/dbraw/zinc/18/41/71/137184171.db2.gz FEUOOJQISXJSQJ-HNNXBMFYSA-N 2 2 278.400 0.967 20 0 CCADLP O=C(CC[C@@H]1CCC[NH2+]C1)NCC[NH+]1CCOCC1 ZINC000036757217 348169928 /nfs/dbraw/zinc/16/99/28/348169928.db2.gz FBJFSCOGPJHZND-ZDUSSCGKSA-N 2 2 269.389 0.215 20 0 CCADLP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cc[nH]n2)CC1 ZINC000036900261 348174194 /nfs/dbraw/zinc/17/41/94/348174194.db2.gz VMANNGILWCKNIG-UHFFFAOYSA-N 2 2 251.378 0.525 20 0 CCADLP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccn[nH]2)CC1 ZINC000036900261 348174195 /nfs/dbraw/zinc/17/41/95/348174195.db2.gz VMANNGILWCKNIG-UHFFFAOYSA-N 2 2 251.378 0.525 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918137 348219225 /nfs/dbraw/zinc/21/92/25/348219225.db2.gz OKGOWPUUYTURDL-AVGNSLFASA-N 2 2 296.415 0.685 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037918137 348219228 /nfs/dbraw/zinc/21/92/28/348219228.db2.gz OKGOWPUUYTURDL-AVGNSLFASA-N 2 2 296.415 0.685 20 0 CCADLP CC[C@H](C)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000339414629 215157596 /nfs/dbraw/zinc/15/75/96/215157596.db2.gz GZWITSQBUDOBTI-STQMWFEESA-N 2 2 253.390 0.929 20 0 CCADLP CC[C@H](C)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000339414629 215157598 /nfs/dbraw/zinc/15/75/98/215157598.db2.gz GZWITSQBUDOBTI-STQMWFEESA-N 2 2 253.390 0.929 20 0 CCADLP COC(=O)[C@@H](CC(C)C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602875807 362855561 /nfs/dbraw/zinc/85/55/61/362855561.db2.gz APUHGGVFQOOJET-UKRRQHHQSA-N 2 2 286.416 0.963 20 0 CCADLP COC(=O)[C@@H](CC(C)C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000602875807 362855566 /nfs/dbraw/zinc/85/55/66/362855566.db2.gz APUHGGVFQOOJET-UKRRQHHQSA-N 2 2 286.416 0.963 20 0 CCADLP CCCCCNC(=O)[C@H](C)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000252453831 535072817 /nfs/dbraw/zinc/07/28/17/535072817.db2.gz WNMKATUUECWEGH-AVGNSLFASA-N 2 2 253.390 0.833 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000346296354 137277870 /nfs/dbraw/zinc/27/78/70/137277870.db2.gz VCZRNRXAJPYDPZ-CHWSQXEVSA-N 2 2 269.389 0.295 20 0 CCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cn(Cc2cccnc2)nn1 ZINC000346671897 137298475 /nfs/dbraw/zinc/29/84/75/137298475.db2.gz HPJQICDFCHIMDN-OCCSQVGLSA-N 2 2 286.383 0.891 20 0 CCADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cn(Cc2cccnc2)nn1 ZINC000346671897 137298476 /nfs/dbraw/zinc/29/84/76/137298476.db2.gz HPJQICDFCHIMDN-OCCSQVGLSA-N 2 2 286.383 0.891 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cn(Cc3cccnc3)nn2)C1 ZINC000346691997 137299703 /nfs/dbraw/zinc/29/97/03/137299703.db2.gz XHMIQYSAFOEDTQ-TZMCWYRMSA-N 2 2 286.383 0.891 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cn(Cc3cccnc3)nn2)C1 ZINC000346691997 137299704 /nfs/dbraw/zinc/29/97/04/137299704.db2.gz XHMIQYSAFOEDTQ-TZMCWYRMSA-N 2 2 286.383 0.891 20 0 CCADLP O=C([C@@H]1CCCO1)N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346833776 137306993 /nfs/dbraw/zinc/30/69/93/137306993.db2.gz MPAHTPSUQRCNPD-KGLIPLIRSA-N 2 2 281.400 0.309 20 0 CCADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cn(Cc4cccnc4)nn3)C[C@H]12 ZINC000346842220 137307962 /nfs/dbraw/zinc/30/79/62/137307962.db2.gz HSMKQMSHIVWWCF-CWRNSKLLSA-N 2 2 298.394 0.891 20 0 CCADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cn(Cc4cccnc4)nn3)C[C@H]12 ZINC000346842220 137307963 /nfs/dbraw/zinc/30/79/63/137307963.db2.gz HSMKQMSHIVWWCF-CWRNSKLLSA-N 2 2 298.394 0.891 20 0 CCADLP C[C@@H](C[NH3+])NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000347650586 137347770 /nfs/dbraw/zinc/34/77/70/137347770.db2.gz JZOJOWYMKMEVFT-LBPRGKRZSA-N 2 2 277.368 0.596 20 0 CCADLP CC(=O)N1CC[C@@H]([NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000120576707 349993871 /nfs/dbraw/zinc/99/38/71/349993871.db2.gz BZSUFEFWTROTHN-RTXFEEFZSA-N 2 2 251.374 0.822 20 0 CCADLP CC(=O)N1CC[C@@H]([NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000120576707 349993872 /nfs/dbraw/zinc/99/38/72/349993872.db2.gz BZSUFEFWTROTHN-RTXFEEFZSA-N 2 2 251.374 0.822 20 0 CCADLP O=C([C@@H]1CC[NH2+]C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000062112313 348664196 /nfs/dbraw/zinc/66/41/96/348664196.db2.gz KUQTVJXFYHNOQG-GFCCVEGCSA-N 2 2 260.341 0.340 20 0 CCADLP C[C@]1(C(=O)N2CC[NH+](Cc3cccnc3)CC2)CC[NH2+]C1 ZINC000062895931 348671975 /nfs/dbraw/zinc/67/19/75/348671975.db2.gz NQWSNMJATKXUQO-INIZCTEOSA-N 2 2 288.395 0.725 20 0 CCADLP C[C@H](NC(=O)CCc1c[nH+]cn1C)[C@H]1C[N@H+](C)CCO1 ZINC000684464320 545676853 /nfs/dbraw/zinc/67/68/53/545676853.db2.gz TWHPAWIXUOXMTM-WCQYABFASA-N 2 2 280.372 0.188 20 0 CCADLP C[C@H](NC(=O)CCc1c[nH+]cn1C)[C@H]1C[N@@H+](C)CCO1 ZINC000684464320 545676857 /nfs/dbraw/zinc/67/68/57/545676857.db2.gz TWHPAWIXUOXMTM-WCQYABFASA-N 2 2 280.372 0.188 20 0 CCADLP Cc1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)[nH]n1 ZINC000068467685 348811248 /nfs/dbraw/zinc/81/12/48/348811248.db2.gz XZJLVUJZUIISDM-UHFFFAOYSA-N 2 2 293.415 0.816 20 0 CCADLP Cc1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)[nH]n1 ZINC000068467685 348811252 /nfs/dbraw/zinc/81/12/52/348811252.db2.gz XZJLVUJZUIISDM-UHFFFAOYSA-N 2 2 293.415 0.816 20 0 CCADLP Cc1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n[nH]1 ZINC000068467685 348811255 /nfs/dbraw/zinc/81/12/55/348811255.db2.gz XZJLVUJZUIISDM-UHFFFAOYSA-N 2 2 293.415 0.816 20 0 CCADLP Cc1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n[nH]1 ZINC000068467685 348811258 /nfs/dbraw/zinc/81/12/58/348811258.db2.gz XZJLVUJZUIISDM-UHFFFAOYSA-N 2 2 293.415 0.816 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000684470031 545678180 /nfs/dbraw/zinc/67/81/80/545678180.db2.gz JYLQNELWFFNLNN-UHFFFAOYSA-N 2 2 294.399 0.268 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000070574135 348892676 /nfs/dbraw/zinc/89/26/76/348892676.db2.gz WCLJGYAHZDHXQB-VXGBXAGGSA-N 2 2 250.346 0.907 20 0 CCADLP [NH3+][C@H]1CCC[C@@H](C(=O)NCCCn2cc[nH+]c2)C1 ZINC000070574133 348892901 /nfs/dbraw/zinc/89/29/01/348892901.db2.gz WCLJGYAHZDHXQB-NEPJUHHUSA-N 2 2 250.346 0.907 20 0 CCADLP CC(C)N(C)C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000070011388 348868663 /nfs/dbraw/zinc/86/86/63/348868663.db2.gz LVRJOEXTWBUKAK-HNNXBMFYSA-N 2 2 297.443 0.897 20 0 CCADLP CC(C)N(C)C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000070011388 348868667 /nfs/dbraw/zinc/86/86/67/348868667.db2.gz LVRJOEXTWBUKAK-HNNXBMFYSA-N 2 2 297.443 0.897 20 0 CCADLP C[NH+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000070283363 348883138 /nfs/dbraw/zinc/88/31/38/348883138.db2.gz SFNJFDWVTQHRGM-UHFFFAOYSA-N 2 2 271.324 0.655 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](C)CC2)C1 ZINC000339567679 215246672 /nfs/dbraw/zinc/24/66/72/215246672.db2.gz KXRUQPBDTNOXAQ-AWEZNQCLSA-N 2 2 298.431 0.300 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](C)CC2)C1 ZINC000339567679 215246673 /nfs/dbraw/zinc/24/66/73/215246673.db2.gz KXRUQPBDTNOXAQ-AWEZNQCLSA-N 2 2 298.431 0.300 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC000076003176 349063247 /nfs/dbraw/zinc/06/32/47/349063247.db2.gz ORKGNSCVRWFVTL-GFCCVEGCSA-N 2 2 282.388 0.202 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC000076003176 349063248 /nfs/dbraw/zinc/06/32/48/349063248.db2.gz ORKGNSCVRWFVTL-GFCCVEGCSA-N 2 2 282.388 0.202 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH+](C)C[C@@H]2C(C)C)C1 ZINC000081433075 349264488 /nfs/dbraw/zinc/26/44/88/349264488.db2.gz CBNNOMVPHGXLPL-ZIAGYGMSSA-N 2 2 283.416 0.506 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH+](C)C[C@@H]2C(C)C)C1 ZINC000081433075 349264491 /nfs/dbraw/zinc/26/44/91/349264491.db2.gz CBNNOMVPHGXLPL-ZIAGYGMSSA-N 2 2 283.416 0.506 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)C1 ZINC000081433075 349264494 /nfs/dbraw/zinc/26/44/94/349264494.db2.gz CBNNOMVPHGXLPL-ZIAGYGMSSA-N 2 2 283.416 0.506 20 0 CCADLP CC[NH+]1CCO[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)C1 ZINC000081433075 349264498 /nfs/dbraw/zinc/26/44/98/349264498.db2.gz CBNNOMVPHGXLPL-ZIAGYGMSSA-N 2 2 283.416 0.506 20 0 CCADLP [NH3+]C1(C(=O)N2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000088130341 349356304 /nfs/dbraw/zinc/35/63/04/349356304.db2.gz BLWMIFUMOQZIIS-UHFFFAOYSA-N 2 2 260.341 0.217 20 0 CCADLP [NH3+]C1(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000088130794 349356649 /nfs/dbraw/zinc/35/66/49/349356649.db2.gz MRWOOUOYFCFWDI-UHFFFAOYSA-N 2 2 275.352 0.949 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCCSCC2)CC1 ZINC000089980183 349417899 /nfs/dbraw/zinc/41/78/99/349417899.db2.gz KNTXLSJFRDSPFT-ZDUSSCGKSA-N 2 2 285.457 0.978 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCCSCC2)CC1 ZINC000089980183 349417901 /nfs/dbraw/zinc/41/79/01/349417901.db2.gz KNTXLSJFRDSPFT-ZDUSSCGKSA-N 2 2 285.457 0.978 20 0 CCADLP CN1CC[C@H]([NH+]2CCC([NH2+]CC3CC3)CC2)C1=O ZINC000123742161 350082247 /nfs/dbraw/zinc/08/22/47/350082247.db2.gz FIFYHFBYSMHKPG-ZDUSSCGKSA-N 2 2 251.374 0.681 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000124601178 350102463 /nfs/dbraw/zinc/10/24/63/350102463.db2.gz VSVIPTIILQRNQR-GUBZILKMSA-N 2 2 256.350 0.032 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000124601178 350102465 /nfs/dbraw/zinc/10/24/65/350102465.db2.gz VSVIPTIILQRNQR-GUBZILKMSA-N 2 2 256.350 0.032 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000124635719 350103216 /nfs/dbraw/zinc/10/32/16/350103216.db2.gz HJUKWEOQPYEDCR-UWVGGRQHSA-N 2 2 256.350 0.034 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000124635719 350103218 /nfs/dbraw/zinc/10/32/18/350103218.db2.gz HJUKWEOQPYEDCR-UWVGGRQHSA-N 2 2 256.350 0.034 20 0 CCADLP [NH3+]CCc1nc(C(=O)N2CC[NH+](C3CC3)CC2)cs1 ZINC000090950800 180071841 /nfs/dbraw/zinc/07/18/41/180071841.db2.gz ZRCCPXOFODMLDH-UHFFFAOYSA-N 2 2 280.397 0.565 20 0 CCADLP COC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000126779948 350154810 /nfs/dbraw/zinc/15/48/10/350154810.db2.gz DJCPCGBIDCZHQW-UONOGXRCSA-N 2 2 272.389 0.038 20 0 CCADLP COC[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000126779948 350154813 /nfs/dbraw/zinc/15/48/13/350154813.db2.gz DJCPCGBIDCZHQW-UONOGXRCSA-N 2 2 272.389 0.038 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)C[N@@H+]1C1CC1 ZINC000128632327 350195885 /nfs/dbraw/zinc/19/58/85/350195885.db2.gz GENYYFSBRXHWIC-HUUCEWRRSA-N 3 2 280.460 0.839 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)C[N@H+]1C1CC1 ZINC000128632327 350195887 /nfs/dbraw/zinc/19/58/87/350195887.db2.gz GENYYFSBRXHWIC-HUUCEWRRSA-N 3 2 280.460 0.839 20 0 CCADLP C[C@H]1C[C@H](NCCC[NH+]2CCOCC2)C[N@@H+]1C1CC1 ZINC000128113857 350185806 /nfs/dbraw/zinc/18/58/06/350185806.db2.gz KEQPTDIUSZPUQS-KBPBESRZSA-N 2 2 267.417 0.924 20 0 CCADLP C[C@H]1C[C@H](NCCC[NH+]2CCOCC2)C[N@H+]1C1CC1 ZINC000128113857 350185808 /nfs/dbraw/zinc/18/58/08/350185808.db2.gz KEQPTDIUSZPUQS-KBPBESRZSA-N 2 2 267.417 0.924 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)C2([NH3+])CCCCC2)C1 ZINC000091669708 180224132 /nfs/dbraw/zinc/22/41/32/180224132.db2.gz OFJSTQFLCAQLMG-LLVKDONJSA-N 2 2 255.362 0.095 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)C2([NH3+])CCCCC2)C1 ZINC000091669708 180224133 /nfs/dbraw/zinc/22/41/33/180224133.db2.gz OFJSTQFLCAQLMG-LLVKDONJSA-N 2 2 255.362 0.095 20 0 CCADLP CC[C@@H]([NH3+])C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000130275727 350234149 /nfs/dbraw/zinc/23/41/49/350234149.db2.gz BDEGRNXQGIMKIZ-CABCVRRESA-N 2 2 291.395 0.913 20 0 CCADLP NC(=O)CC[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000131052254 350259701 /nfs/dbraw/zinc/25/97/01/350259701.db2.gz KTJJJVBCXWTANI-GFCCVEGCSA-N 2 2 250.346 0.861 20 0 CCADLP NC(=O)CC[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000131052254 350259705 /nfs/dbraw/zinc/25/97/05/350259705.db2.gz KTJJJVBCXWTANI-GFCCVEGCSA-N 2 2 250.346 0.861 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1nnnn1-c1ccccc1 ZINC000131772546 350286876 /nfs/dbraw/zinc/28/68/76/350286876.db2.gz VAFFVECZGOMIPA-VXGBXAGGSA-N 2 2 272.356 0.831 20 0 CCADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1nnnn1-c1ccccc1 ZINC000131772546 350286878 /nfs/dbraw/zinc/28/68/78/350286878.db2.gz VAFFVECZGOMIPA-VXGBXAGGSA-N 2 2 272.356 0.831 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@]2(CC)CCC[NH2+]2)CC1 ZINC000134561957 350369374 /nfs/dbraw/zinc/36/93/74/350369374.db2.gz WSDDUXKNYKKINK-HNNXBMFYSA-N 2 2 283.416 0.699 20 0 CCADLP COc1c(N)[nH+]cnc1NC[C@H]1CCC[N@H+](C)C1 ZINC000134865464 350378134 /nfs/dbraw/zinc/37/81/34/350378134.db2.gz QBRWPEUCKSUWGH-SECBINFHSA-N 2 2 251.334 0.821 20 0 CCADLP COc1c(N)[nH+]cnc1NC[C@H]1CCC[N@@H+](C)C1 ZINC000134865464 350378136 /nfs/dbraw/zinc/37/81/36/350378136.db2.gz QBRWPEUCKSUWGH-SECBINFHSA-N 2 2 251.334 0.821 20 0 CCADLP COc1c(N)nc[nH+]c1NC[C@H]1CCC[N@H+](C)C1 ZINC000134865464 350378139 /nfs/dbraw/zinc/37/81/39/350378139.db2.gz QBRWPEUCKSUWGH-SECBINFHSA-N 2 2 251.334 0.821 20 0 CCADLP COc1c(N)nc[nH+]c1NC[C@H]1CCC[N@@H+](C)C1 ZINC000134865464 350378141 /nfs/dbraw/zinc/37/81/41/350378141.db2.gz QBRWPEUCKSUWGH-SECBINFHSA-N 2 2 251.334 0.821 20 0 CCADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NC1CCCCC1 ZINC000107854957 186195457 /nfs/dbraw/zinc/19/54/57/186195457.db2.gz OPOUZNPWBDYNFL-TXEJJXNPSA-N 2 2 251.374 0.587 20 0 CCADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)NC1CCCCC1 ZINC000107854957 186195459 /nfs/dbraw/zinc/19/54/59/186195459.db2.gz OPOUZNPWBDYNFL-TXEJJXNPSA-N 2 2 251.374 0.587 20 0 CCADLP C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577468 186180163 /nfs/dbraw/zinc/18/01/63/186180163.db2.gz IGOVYZXOOCNMGB-FQUUOJAGSA-N 2 2 265.401 0.833 20 0 CCADLP C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577468 186180165 /nfs/dbraw/zinc/18/01/65/186180165.db2.gz IGOVYZXOOCNMGB-FQUUOJAGSA-N 2 2 265.401 0.833 20 0 CCADLP CCNC(=O)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000154026772 350572511 /nfs/dbraw/zinc/57/25/11/350572511.db2.gz DXZANVYBJMEUNJ-GASCZTMLSA-N 2 2 296.459 0.613 20 0 CCADLP CCNC(=O)C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000154026772 350572515 /nfs/dbraw/zinc/57/25/15/350572515.db2.gz DXZANVYBJMEUNJ-GASCZTMLSA-N 2 2 296.459 0.613 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCOC3(CCC3)C2)CC1 ZINC000154103384 350575244 /nfs/dbraw/zinc/57/52/44/350575244.db2.gz PLMCDKNGOIMRKG-UHFFFAOYSA-N 2 2 295.427 0.842 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCOC3(CCC3)C2)CC1 ZINC000154103384 350575247 /nfs/dbraw/zinc/57/52/47/350575247.db2.gz PLMCDKNGOIMRKG-UHFFFAOYSA-N 2 2 295.427 0.842 20 0 CCADLP C[C@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)C[NH+]1CCOCC1 ZINC000153148001 350554251 /nfs/dbraw/zinc/55/42/51/350554251.db2.gz HWKYUVUBGJSEOV-HZSPNIEDSA-N 2 2 256.390 0.969 20 0 CCADLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc([S@@](C)=O)cc1 ZINC000154331881 350583655 /nfs/dbraw/zinc/58/36/55/350583655.db2.gz ZPZFJSQAYIOIMK-AGMRTUQYSA-N 2 2 284.425 0.997 20 0 CCADLP C[C@@H](CNC(=O)CCC1CC[NH2+]CC1)[NH+]1CCN(C)CC1 ZINC000156081434 350625674 /nfs/dbraw/zinc/62/56/74/350625674.db2.gz XLUOHNSXJPUVQY-AWEZNQCLSA-N 2 2 296.459 0.518 20 0 CCADLP OC[C@@]1([C@H]([NH2+]CCn2cc[nH+]c2)C2CC2)CCCO1 ZINC000339765662 215329854 /nfs/dbraw/zinc/32/98/54/215329854.db2.gz YGZDXBZLNPIVKC-ZIAGYGMSSA-N 2 2 265.357 0.793 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000163182635 350761474 /nfs/dbraw/zinc/76/14/74/350761474.db2.gz YMIRGVZKVDJMFA-ZJUUUORDSA-N 2 2 278.381 0.925 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000163182635 350761476 /nfs/dbraw/zinc/76/14/76/350761476.db2.gz YMIRGVZKVDJMFA-ZJUUUORDSA-N 2 2 278.381 0.925 20 0 CCADLP CN(CC[NH+](C)C)C(=O)NCCCCn1cc[nH+]c1 ZINC000531347001 358457730 /nfs/dbraw/zinc/45/77/30/358457730.db2.gz RJXWVVIHWMWJSM-UHFFFAOYSA-N 2 2 267.377 0.866 20 0 CCADLP O=C(NCc1cccnc1-n1cc[nH+]c1)[C@@H]1CCC[NH2+]1 ZINC000164801374 350782971 /nfs/dbraw/zinc/78/29/71/350782971.db2.gz CLFFVHLTANDJQV-LBPRGKRZSA-N 2 2 271.324 0.636 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)C[NH2+]CC1CC1 ZINC000164940358 350784377 /nfs/dbraw/zinc/78/43/77/350784377.db2.gz BEXSHZAEKPKPLQ-UHFFFAOYSA-N 2 2 262.357 0.763 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000165045685 350786867 /nfs/dbraw/zinc/78/68/67/350786867.db2.gz YZUQOKIGMKBUDV-UONOGXRCSA-N 2 2 297.443 0.849 20 0 CCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)[C@H]1CSC[NH2+]1 ZINC000165940266 350794667 /nfs/dbraw/zinc/79/46/67/350794667.db2.gz WZDPHFTUCTYIHE-LLVKDONJSA-N 2 2 297.449 0.885 20 0 CCADLP O=C(NCC[N@H+]1CCc2sccc2C1)[C@H]1CSC[NH2+]1 ZINC000165940266 350794670 /nfs/dbraw/zinc/79/46/70/350794670.db2.gz WZDPHFTUCTYIHE-LLVKDONJSA-N 2 2 297.449 0.885 20 0 CCADLP O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@@H]1CCCC[NH2+]1 ZINC000166839061 350801955 /nfs/dbraw/zinc/80/19/55/350801955.db2.gz OZHOGKBWSOBNAG-OLZOCXBDSA-N 2 2 274.368 0.919 20 0 CCADLP C[C@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000167319679 350809119 /nfs/dbraw/zinc/80/91/19/350809119.db2.gz BIFISEOCDZWFTC-RYUDHWBXSA-N 2 2 255.362 0.047 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@H]2CCCO2)CC1 ZINC000175507450 351132102 /nfs/dbraw/zinc/13/21/02/351132102.db2.gz BMCSRILXPIGJBM-CQSZACIVSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000178670873 351239294 /nfs/dbraw/zinc/23/92/94/351239294.db2.gz ZJGLUTZHJPASII-RBSFLKMASA-N 3 2 296.459 0.469 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000178670873 351239296 /nfs/dbraw/zinc/23/92/96/351239296.db2.gz ZJGLUTZHJPASII-RBSFLKMASA-N 3 2 296.459 0.469 20 0 CCADLP [NH3+]CCSCc1cn(CCn2cc[nH+]c2)nn1 ZINC000603240626 363018347 /nfs/dbraw/zinc/01/83/47/363018347.db2.gz ALEWARKDXDVBPI-UHFFFAOYSA-N 2 2 252.347 0.367 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCN1C(=O)CNC1=O ZINC000177343518 351201935 /nfs/dbraw/zinc/20/19/35/351201935.db2.gz IFPMSPNRTKAUQD-NEPJUHHUSA-N 2 2 280.372 0.097 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCN1C(=O)CNC1=O ZINC000177343518 351201936 /nfs/dbraw/zinc/20/19/36/351201936.db2.gz IFPMSPNRTKAUQD-NEPJUHHUSA-N 2 2 280.372 0.097 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCN1C(=O)CNC1=O ZINC000177343518 351201937 /nfs/dbraw/zinc/20/19/37/351201937.db2.gz IFPMSPNRTKAUQD-NEPJUHHUSA-N 2 2 280.372 0.097 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCN1C(=O)CNC1=O ZINC000177343518 351201938 /nfs/dbraw/zinc/20/19/38/351201938.db2.gz IFPMSPNRTKAUQD-NEPJUHHUSA-N 2 2 280.372 0.097 20 0 CCADLP CN(CC[N@@H+](C)Cc1cnn(C)c1)C1CC[NH+](C)CC1 ZINC000179254021 351261659 /nfs/dbraw/zinc/26/16/59/351261659.db2.gz HXMZAFJMNOFBNX-UHFFFAOYSA-N 2 2 279.432 0.878 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cnn(C)c1 ZINC000179254021 351261661 /nfs/dbraw/zinc/26/16/61/351261661.db2.gz HXMZAFJMNOFBNX-UHFFFAOYSA-N 2 2 279.432 0.878 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cnn(C)c1 ZINC000179254021 351261662 /nfs/dbraw/zinc/26/16/62/351261662.db2.gz HXMZAFJMNOFBNX-UHFFFAOYSA-N 2 2 279.432 0.878 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000178194923 351222850 /nfs/dbraw/zinc/22/28/50/351222850.db2.gz ALBMBLUQJGLFNX-RBSFLKMASA-N 2 2 294.443 0.365 20 0 CCADLP COCC1=CC[N@H+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000185891384 351463611 /nfs/dbraw/zinc/46/36/11/351463611.db2.gz PQKAJCDFIGIGTP-UHFFFAOYSA-N 2 2 267.373 0.039 20 0 CCADLP COCC1=CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000185891384 351463613 /nfs/dbraw/zinc/46/36/13/351463613.db2.gz PQKAJCDFIGIGTP-UHFFFAOYSA-N 2 2 267.373 0.039 20 0 CCADLP O=C(NCc1ccn2cc[nH+]c2c1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188776336 351627771 /nfs/dbraw/zinc/62/77/71/351627771.db2.gz XOJZQHXAFBWISW-WDEREUQCSA-N 2 2 262.288 0.651 20 0 CCADLP CC[C@@H](O)C[NH+]1CCN(CC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000191515481 351762584 /nfs/dbraw/zinc/76/25/84/351762584.db2.gz MBYWNKYGHLUXSJ-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP CC[C@@H](O)C[NH+]1CCN(CC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000191515481 351762588 /nfs/dbraw/zinc/76/25/88/351762588.db2.gz MBYWNKYGHLUXSJ-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP COC(C)(C)C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000122269320 187023412 /nfs/dbraw/zinc/02/34/12/187023412.db2.gz OIGOJDGNMMAIOZ-UHFFFAOYSA-N 2 2 299.459 0.798 20 0 CCADLP COC(C)(C)C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000122269320 187023413 /nfs/dbraw/zinc/02/34/13/187023413.db2.gz OIGOJDGNMMAIOZ-UHFFFAOYSA-N 2 2 299.459 0.798 20 0 CCADLP C[N@H+](CCc1ccccn1)CC(=O)N1CC[NH+](C)CC1 ZINC000123452938 187092510 /nfs/dbraw/zinc/09/25/10/187092510.db2.gz XIAFZTNPIREWOR-UHFFFAOYSA-N 2 2 276.384 0.330 20 0 CCADLP C[N@@H+](CCc1ccccn1)CC(=O)N1CC[NH+](C)CC1 ZINC000123452938 187092511 /nfs/dbraw/zinc/09/25/11/187092511.db2.gz XIAFZTNPIREWOR-UHFFFAOYSA-N 2 2 276.384 0.330 20 0 CCADLP C[C@H]([NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000195149442 351898859 /nfs/dbraw/zinc/89/88/59/351898859.db2.gz VDQVECKCURISNT-TUAOUCFPSA-N 2 2 292.383 0.659 20 0 CCADLP COC[C@H]([NH3+])C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000220192577 351971339 /nfs/dbraw/zinc/97/13/39/351971339.db2.gz KXEMOWULEGLLSE-TUAOUCFPSA-N 2 2 255.362 0.045 20 0 CCADLP COC[C@H]([NH3+])C(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000220192577 351971344 /nfs/dbraw/zinc/97/13/44/351971344.db2.gz KXEMOWULEGLLSE-TUAOUCFPSA-N 2 2 255.362 0.045 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CC(C)(C)CCO)n1C ZINC000227905540 352062804 /nfs/dbraw/zinc/06/28/04/352062804.db2.gz CDNRMNQISRXJEZ-UHFFFAOYSA-N 2 2 254.378 0.984 20 0 CCADLP COc1ccc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc1O ZINC000228723041 352082887 /nfs/dbraw/zinc/08/28/87/352082887.db2.gz KJZFLHPYNHRZHS-CQSZACIVSA-N 2 2 268.357 0.803 20 0 CCADLP Cc1nn(C)c(C)c1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000228724469 352083004 /nfs/dbraw/zinc/08/30/04/352083004.db2.gz DQHCACDEVMODMO-CYBMUJFWSA-N 2 2 254.378 0.439 20 0 CCADLP O=C(NCCCNc1cccc[nH+]1)N[C@@H]1CC[NH2+]C1 ZINC000417082522 233917704 /nfs/dbraw/zinc/91/77/04/233917704.db2.gz RULKRNOHSVJVNZ-LLVKDONJSA-N 2 2 263.345 0.545 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCCCn2cc[nH+]c2)CC[NH2+]1 ZINC000235689535 352187041 /nfs/dbraw/zinc/18/70/41/352187041.db2.gz SSCMVAXDLDBETD-RYUDHWBXSA-N 2 2 250.346 0.778 20 0 CCADLP CCCC[C@H]([NH3+])C(=O)N(C)CC[NH+]1CCOCC1 ZINC000236757406 352210106 /nfs/dbraw/zinc/21/01/06/352210106.db2.gz RQJMQAUOCXKWIQ-LBPRGKRZSA-N 2 2 257.378 0.295 20 0 CCADLP CCCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000236814363 352218280 /nfs/dbraw/zinc/21/82/80/352218280.db2.gz OFDXPEAUMQEZRQ-STQMWFEESA-N 2 2 269.389 0.483 20 0 CCADLP CCCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000236814363 352218282 /nfs/dbraw/zinc/21/82/82/352218282.db2.gz OFDXPEAUMQEZRQ-STQMWFEESA-N 2 2 269.389 0.483 20 0 CCADLP Cc1cc(N2CCN(C(=O)[C@@H](C)[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000236835829 352220999 /nfs/dbraw/zinc/22/09/99/352220999.db2.gz ATQKYQBXPTYIAW-GFCCVEGCSA-N 2 2 291.399 0.904 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H](C)[NH2+]1 ZINC000655415639 412563036 /nfs/dbraw/zinc/56/30/36/412563036.db2.gz ONWXHSJHDQRGGX-TUAOUCFPSA-N 2 2 262.357 0.654 20 0 CCADLP C[C@@H](CNC(=O)[C@@]1(C)CCCC[NH2+]1)[NH+]1CCOCC1 ZINC000237584172 352272892 /nfs/dbraw/zinc/27/28/92/352272892.db2.gz MNZADBOKULLXRU-GXTWGEPZSA-N 2 2 269.389 0.356 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000237136188 352245198 /nfs/dbraw/zinc/24/51/98/352245198.db2.gz ZSNIPXQLYRVCHH-CQSZACIVSA-N 2 2 277.368 0.477 20 0 CCADLP C[NH2+]CC(=O)N1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000237201896 352252459 /nfs/dbraw/zinc/25/24/59/352252459.db2.gz LSFUVIGZAHVCQF-UHFFFAOYSA-N 2 2 266.345 0.155 20 0 CCADLP C[NH2+]CC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1 ZINC000237232454 352254119 /nfs/dbraw/zinc/25/41/19/352254119.db2.gz HYCJYMYNCUYCEO-OAHLLOKOSA-N 2 2 291.395 0.704 20 0 CCADLP Cc1ccc([C@H](CNC(=O)CC[NH3+])[NH+]2CCOCC2)cc1 ZINC000237787476 352282770 /nfs/dbraw/zinc/28/27/70/352282770.db2.gz AOXYHTYIQGIFFU-HNNXBMFYSA-N 2 2 291.395 0.833 20 0 CCADLP O=C(NCCc1cn2c([nH+]1)CCCC2)[C@H]1CCC[NH2+]1 ZINC000237899867 352287915 /nfs/dbraw/zinc/28/79/15/352287915.db2.gz VNDHUKQCXUKIMQ-GFCCVEGCSA-N 2 2 262.357 0.630 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246334120 352361104 /nfs/dbraw/zinc/36/11/04/352361104.db2.gz HGWQKXLYWNOHEJ-RYUDHWBXSA-N 2 2 284.404 0.493 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246334120 352361109 /nfs/dbraw/zinc/36/11/09/352361109.db2.gz HGWQKXLYWNOHEJ-RYUDHWBXSA-N 2 2 284.404 0.493 20 0 CCADLP O=C(NCCC[NH2+]C1CC1)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418290904 234055859 /nfs/dbraw/zinc/05/58/59/234055859.db2.gz UMIOVGVKAOQQIL-OKILXGFUSA-N 2 2 296.415 0.291 20 0 CCADLP O=C(NCCC[NH2+]C1CC1)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000418290904 234055861 /nfs/dbraw/zinc/05/58/61/234055861.db2.gz UMIOVGVKAOQQIL-OKILXGFUSA-N 2 2 296.415 0.291 20 0 CCADLP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)NC[C@H]1CCCO1 ZINC000246941825 352389656 /nfs/dbraw/zinc/38/96/56/352389656.db2.gz OGFCXQFZIYHMOM-LSDHHAIUSA-N 2 2 295.427 0.699 20 0 CCADLP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)NC[C@H]1CCCO1 ZINC000246941825 352389661 /nfs/dbraw/zinc/38/96/61/352389661.db2.gz OGFCXQFZIYHMOM-LSDHHAIUSA-N 2 2 295.427 0.699 20 0 CCADLP C[C@H](C(=O)N1CC[NH+](CCO)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000246261412 352358001 /nfs/dbraw/zinc/35/80/01/352358001.db2.gz KXSAFZOKEPTLDD-HZSPNIEDSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@H](C(=O)N1CC[NH+](CCO)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000246261412 352358004 /nfs/dbraw/zinc/35/80/04/352358004.db2.gz KXSAFZOKEPTLDD-HZSPNIEDSA-N 2 2 283.416 0.384 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000333845187 297264817 /nfs/dbraw/zinc/26/48/17/297264817.db2.gz PAQXTAKNRVWKPP-BNOWGMLFSA-N 2 2 296.415 0.228 20 0 CCADLP C[N@@H+]1CCN(C(=O)C[C@H]2CCCCO2)[C@H](C[NH3+])C1 ZINC000250400060 352505237 /nfs/dbraw/zinc/50/52/37/352505237.db2.gz SEUPTSHLIZIJJZ-VXGBXAGGSA-N 2 2 255.362 0.047 20 0 CCADLP C[N@H+]1CCN(C(=O)C[C@H]2CCCCO2)[C@H](C[NH3+])C1 ZINC000250400060 352505238 /nfs/dbraw/zinc/50/52/38/352505238.db2.gz SEUPTSHLIZIJJZ-VXGBXAGGSA-N 2 2 255.362 0.047 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH+]3CCC[C@@H]3CO2)CC[N@@H+]1C ZINC000252214352 352513849 /nfs/dbraw/zinc/51/38/49/352513849.db2.gz YWABDVWNNWYWJR-TUVASFSCSA-N 3 2 267.417 0.922 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[NH+]3CCC[C@@H]3CO2)CC[N@H+]1C ZINC000252214352 352513850 /nfs/dbraw/zinc/51/38/50/352513850.db2.gz YWABDVWNNWYWJR-TUVASFSCSA-N 3 2 267.417 0.922 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC[NH+]1C ZINC000252214352 352513852 /nfs/dbraw/zinc/51/38/52/352513852.db2.gz YWABDVWNNWYWJR-TUVASFSCSA-N 3 2 267.417 0.922 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC[NH+]1C ZINC000252214352 352513853 /nfs/dbraw/zinc/51/38/53/352513853.db2.gz YWABDVWNNWYWJR-TUVASFSCSA-N 3 2 267.417 0.922 20 0 CCADLP CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261570207 352561613 /nfs/dbraw/zinc/56/16/13/352561613.db2.gz KEUFXKRQGHZSMQ-XQQFMLRXSA-N 2 2 253.390 0.927 20 0 CCADLP CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261570207 352561619 /nfs/dbraw/zinc/56/16/19/352561619.db2.gz KEUFXKRQGHZSMQ-XQQFMLRXSA-N 2 2 253.390 0.927 20 0 CCADLP CN(C)c1ncc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000262079561 352576899 /nfs/dbraw/zinc/57/68/99/352576899.db2.gz SWLPHPLGAMSOEH-CQSZACIVSA-N 2 2 261.373 0.728 20 0 CCADLP CN(C)c1ncc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cn1 ZINC000262079561 352576903 /nfs/dbraw/zinc/57/69/03/352576903.db2.gz SWLPHPLGAMSOEH-CQSZACIVSA-N 2 2 261.373 0.728 20 0 CCADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCc1[nH+]ccn1C ZINC000265241936 352627556 /nfs/dbraw/zinc/62/75/56/352627556.db2.gz PGQWQOPDAITILC-LBPRGKRZSA-N 2 2 279.388 0.903 20 0 CCADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCc1[nH+]ccn1C ZINC000265241936 352627560 /nfs/dbraw/zinc/62/75/60/352627560.db2.gz PGQWQOPDAITILC-LBPRGKRZSA-N 2 2 279.388 0.903 20 0 CCADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCc1[nH+]ccn1C ZINC000265241934 352628066 /nfs/dbraw/zinc/62/80/66/352628066.db2.gz PGQWQOPDAITILC-GFCCVEGCSA-N 2 2 279.388 0.903 20 0 CCADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCc1[nH+]ccn1C ZINC000265241934 352628068 /nfs/dbraw/zinc/62/80/68/352628068.db2.gz PGQWQOPDAITILC-GFCCVEGCSA-N 2 2 279.388 0.903 20 0 CCADLP C[C@@H](CNC(=O)/C=C/C[NH+](C)C)Cn1cc[nH+]c1 ZINC000267003140 352737785 /nfs/dbraw/zinc/73/77/85/352737785.db2.gz AEXFCSYRAFNWQT-ITKZLYELSA-N 2 2 250.346 0.753 20 0 CCADLP C[NH+](C)[C@]1(CNC(=O)CCn2cc[nH+]c2)CCSC1 ZINC000267106066 352744838 /nfs/dbraw/zinc/74/48/38/352744838.db2.gz MCDOCSJVSFEPPI-ZDUSSCGKSA-N 2 2 282.413 0.827 20 0 CCADLP C[C@@H](CC(N)=O)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000267269914 352755170 /nfs/dbraw/zinc/75/51/70/352755170.db2.gz SBGGEZNPFYCJTA-SWLSCSKDSA-N 2 2 291.395 0.259 20 0 CCADLP C[C@@H](CC(N)=O)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000267269914 352755174 /nfs/dbraw/zinc/75/51/74/352755174.db2.gz SBGGEZNPFYCJTA-SWLSCSKDSA-N 2 2 291.395 0.259 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cn[nH]c2)CC1 ZINC000267257443 352755332 /nfs/dbraw/zinc/75/53/32/352755332.db2.gz NHPQNAWQVQKMGX-UHFFFAOYSA-N 2 2 265.361 0.166 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000270834836 352992806 /nfs/dbraw/zinc/99/28/06/352992806.db2.gz DTYZDTNJPOEQGK-GFCCVEGCSA-N 2 2 286.401 0.192 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000270834836 352992812 /nfs/dbraw/zinc/99/28/12/352992812.db2.gz DTYZDTNJPOEQGK-GFCCVEGCSA-N 2 2 286.401 0.192 20 0 CCADLP Cc1cc(C)c(CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)c[nH+]1 ZINC000418883206 234252649 /nfs/dbraw/zinc/25/26/49/234252649.db2.gz BSERDTOPQUNBTI-CYBMUJFWSA-N 2 2 292.383 0.414 20 0 CCADLP CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000270875107 352998372 /nfs/dbraw/zinc/99/83/72/352998372.db2.gz UXWORUZWLVWETI-GFCCVEGCSA-N 2 2 286.401 0.287 20 0 CCADLP CS(=O)(=O)NC[C@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000270875107 352998375 /nfs/dbraw/zinc/99/83/75/352998375.db2.gz UXWORUZWLVWETI-GFCCVEGCSA-N 2 2 286.401 0.287 20 0 CCADLP C[NH+]1CCC(C)(CNC(=O)NCCn2cc[nH+]c2)CC1 ZINC000272436874 353063917 /nfs/dbraw/zinc/06/39/17/353063917.db2.gz UBESSXAMZYOWFH-UHFFFAOYSA-N 2 2 279.388 0.914 20 0 CCADLP CCc1cc(N(C)C[C@@H](O)C[NH+]2CCOCC2)nc(C)[nH+]1 ZINC000272907077 353104843 /nfs/dbraw/zinc/10/48/43/353104843.db2.gz QSVFADBTAMBTKP-CQSZACIVSA-N 2 2 294.399 0.477 20 0 CCADLP C[C@@H]1CN(c2cc[nH+]c(N(C)C)n2)[C@@H](C)C[N@@H+]1CCO ZINC000419008927 234284935 /nfs/dbraw/zinc/28/49/35/234284935.db2.gz UXMGVKGFNCHYMA-NEPJUHHUSA-N 2 2 279.388 0.434 20 0 CCADLP C[C@@H]1CN(c2cc[nH+]c(N(C)C)n2)[C@@H](C)C[N@H+]1CCO ZINC000419008927 234284938 /nfs/dbraw/zinc/28/49/38/234284938.db2.gz UXMGVKGFNCHYMA-NEPJUHHUSA-N 2 2 279.388 0.434 20 0 CCADLP Cc1[nH+]c2ccccc2n1CC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000274835202 353166389 /nfs/dbraw/zinc/16/63/89/353166389.db2.gz VRBYCXWOXPOJBR-GFCCVEGCSA-N 2 2 288.351 0.531 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CCO1 ZINC000655446564 412574005 /nfs/dbraw/zinc/57/40/05/412574005.db2.gz WKZYIHNMHRBCLI-IPYPFGDCSA-N 2 2 281.400 0.213 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CCO1 ZINC000655446564 412574007 /nfs/dbraw/zinc/57/40/07/412574007.db2.gz WKZYIHNMHRBCLI-IPYPFGDCSA-N 2 2 281.400 0.213 20 0 CCADLP C[C@H]1C[N@H+](CCCn2cc[nH+]c2)CC[S@@](=O)C1 ZINC000277282356 353234233 /nfs/dbraw/zinc/23/42/33/353234233.db2.gz BFRFKOUKKUZPHQ-YVEFUNNKSA-N 2 2 255.387 0.974 20 0 CCADLP C[C@H]1C[N@@H+](CCCn2cc[nH+]c2)CC[S@@](=O)C1 ZINC000277282356 353234237 /nfs/dbraw/zinc/23/42/37/353234237.db2.gz BFRFKOUKKUZPHQ-YVEFUNNKSA-N 2 2 255.387 0.974 20 0 CCADLP COc1cc[nH+]c(CN2C[C@H](C)[N@H+](CCO)C[C@@H]2C)c1 ZINC000419328316 234368868 /nfs/dbraw/zinc/36/88/68/234368868.db2.gz OLZWGHSEVXZUSY-STQMWFEESA-N 2 2 279.384 0.977 20 0 CCADLP COc1cc[nH+]c(CN2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)c1 ZINC000419328316 234368870 /nfs/dbraw/zinc/36/88/70/234368870.db2.gz OLZWGHSEVXZUSY-STQMWFEESA-N 2 2 279.384 0.977 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655447140 412575643 /nfs/dbraw/zinc/57/56/43/412575643.db2.gz SBGTWBMOQVCTPJ-XJKSGUPXSA-N 2 2 295.427 0.603 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655447140 412575648 /nfs/dbraw/zinc/57/56/48/412575648.db2.gz SBGTWBMOQVCTPJ-XJKSGUPXSA-N 2 2 295.427 0.603 20 0 CCADLP Cc1[nH+]cc(C[NH+]2C[C@@H](O)[C@H](O)C2)n1-c1ccccc1 ZINC000278380585 353296060 /nfs/dbraw/zinc/29/60/60/353296060.db2.gz LPZWMEPENGURBE-HUUCEWRRSA-N 2 2 273.336 0.718 20 0 CCADLP C[C@@H](CC[NH+](C)C)Nc1nc2c(cnn2C)c(N)[nH+]1 ZINC000278455118 353300944 /nfs/dbraw/zinc/30/09/44/353300944.db2.gz SECNTBSUUDSPLO-QMMMGPOBSA-N 2 2 263.349 0.698 20 0 CCADLP CC1(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[NH2+]CC1 ZINC000655453057 412576727 /nfs/dbraw/zinc/57/67/27/412576727.db2.gz QMPWDUDSYICIKH-GFCCVEGCSA-N 2 2 276.384 0.951 20 0 CCADLP O=C(N[C@H]1CCC[NH2+]CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655456270 412578753 /nfs/dbraw/zinc/57/87/53/412578753.db2.gz CJQMQEYNBGYKFG-NEPJUHHUSA-N 2 2 262.357 0.704 20 0 CCADLP O=C(NCC1=CC[NH2+]CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000655453718 412579548 /nfs/dbraw/zinc/57/95/48/412579548.db2.gz PKHDZAUQMFCHQW-GFCCVEGCSA-N 2 2 260.341 0.481 20 0 CCADLP C[N@@H+]1CC[C@H]2CCN(C(=O)C=Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC000283078622 353479401 /nfs/dbraw/zinc/47/94/01/353479401.db2.gz KWAGFJCXZRIENY-XTGUKYSCSA-N 2 2 260.341 0.976 20 0 CCADLP C[N@H+]1CC[C@H]2CCN(C(=O)C=Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC000283078622 353479404 /nfs/dbraw/zinc/47/94/04/353479404.db2.gz KWAGFJCXZRIENY-XTGUKYSCSA-N 2 2 260.341 0.976 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc2c[nH+]cn2c1 ZINC000283942570 353538693 /nfs/dbraw/zinc/53/86/93/353538693.db2.gz KAROPZCVWBNRHQ-LBPRGKRZSA-N 2 2 288.351 0.785 20 0 CCADLP O=C([C@H]1CCc2[nH+]ccn2C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000655459692 412580353 /nfs/dbraw/zinc/58/03/53/412580353.db2.gz OIHFCMVCHUCWFR-SDDRHHMPSA-N 2 2 260.341 0.123 20 0 CCADLP C[C@H]1C[N@H+](CCCNC(=O)CCc2[nH]cc[nH+]2)CCCO1 ZINC000287841925 353671056 /nfs/dbraw/zinc/67/10/56/353671056.db2.gz CRLARJJVKVPPBV-ZDUSSCGKSA-N 2 2 294.399 0.959 20 0 CCADLP C[C@H]1C[N@@H+](CCCNC(=O)CCc2[nH]cc[nH+]2)CCCO1 ZINC000287841925 353671059 /nfs/dbraw/zinc/67/10/59/353671059.db2.gz CRLARJJVKVPPBV-ZDUSSCGKSA-N 2 2 294.399 0.959 20 0 CCADLP O[C@H](C[NH2+][C@H]1CCOC1)C[N@@H+]1CCc2ccccc2C1 ZINC000293194448 353796142 /nfs/dbraw/zinc/79/61/42/353796142.db2.gz XJAXAVIMCRUDRV-JKSUJKDBSA-N 2 2 276.380 0.784 20 0 CCADLP O[C@H](C[NH2+][C@H]1CCOC1)C[N@H+]1CCc2ccccc2C1 ZINC000293194448 353796143 /nfs/dbraw/zinc/79/61/43/353796143.db2.gz XJAXAVIMCRUDRV-JKSUJKDBSA-N 2 2 276.380 0.784 20 0 CCADLP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000655466262 412583840 /nfs/dbraw/zinc/58/38/40/412583840.db2.gz UKSBSSRTYKJCHX-IJLUTSLNSA-N 2 2 262.357 0.689 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000295822472 353920624 /nfs/dbraw/zinc/92/06/24/353920624.db2.gz UVROAJLGGRDSHB-WCQYABFASA-N 2 2 274.368 0.917 20 0 CCADLP COCC[NH+]1CCC(NC(=O)CCn2cc[nH+]c2)CC1 ZINC000299576973 354029287 /nfs/dbraw/zinc/02/92/87/354029287.db2.gz CSHOSJOVIKZAPA-UHFFFAOYSA-N 2 2 280.372 0.500 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000606437779 363286984 /nfs/dbraw/zinc/28/69/84/363286984.db2.gz ZVIADVIJXKKRFG-MRXNPFEDSA-N 2 2 297.443 0.505 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000606437779 363286988 /nfs/dbraw/zinc/28/69/88/363286988.db2.gz ZVIADVIJXKKRFG-MRXNPFEDSA-N 2 2 297.443 0.505 20 0 CCADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420351780 234606963 /nfs/dbraw/zinc/60/69/63/234606963.db2.gz KXAXNJOTNMWBLB-ZWNOBZJWSA-N 2 2 299.802 0.596 20 0 CCADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420351780 234606968 /nfs/dbraw/zinc/60/69/68/234606968.db2.gz KXAXNJOTNMWBLB-ZWNOBZJWSA-N 2 2 299.802 0.596 20 0 CCADLP Cc1cc[nH+]c(NC[C@@](C)(O)C[NH+]2CCOCC2)c1 ZINC000301737935 354079464 /nfs/dbraw/zinc/07/94/64/354079464.db2.gz CFNWZHITYLRIDW-CQSZACIVSA-N 2 2 265.357 0.885 20 0 CCADLP CC[C@@H](C)[NH+]1CCN(c2nc(C)[nH+]c(N)n2)CC1 ZINC000302662271 354083293 /nfs/dbraw/zinc/08/32/93/354083293.db2.gz YHPYJUAFDJEPFD-SECBINFHSA-N 2 2 250.350 0.683 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000344361815 535254067 /nfs/dbraw/zinc/25/40/67/535254067.db2.gz XOLZKPNDLLVUQO-SNVBAGLBSA-N 2 2 250.346 0.725 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000344361815 535254074 /nfs/dbraw/zinc/25/40/74/535254074.db2.gz XOLZKPNDLLVUQO-SNVBAGLBSA-N 2 2 250.346 0.725 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000344361815 535254079 /nfs/dbraw/zinc/25/40/79/535254079.db2.gz XOLZKPNDLLVUQO-SNVBAGLBSA-N 2 2 250.346 0.725 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000344361815 535254083 /nfs/dbraw/zinc/25/40/83/535254083.db2.gz XOLZKPNDLLVUQO-SNVBAGLBSA-N 2 2 250.346 0.725 20 0 CCADLP C[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@H]1C[NH3+] ZINC000655478330 412586680 /nfs/dbraw/zinc/58/66/80/412586680.db2.gz QVHVDJCBIIQGDY-JHJVBQTASA-N 2 2 276.384 0.889 20 0 CCADLP O=C1CCCN1C[C@@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000304793485 354122422 /nfs/dbraw/zinc/12/24/22/354122422.db2.gz UAQCPIIGLRJFOV-AWEZNQCLSA-N 2 2 292.383 0.503 20 0 CCADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cccc2c[nH]nc21 ZINC000305207295 354139195 /nfs/dbraw/zinc/13/91/95/354139195.db2.gz DESGIGOIBPBZGJ-CQSZACIVSA-N 2 2 262.357 0.965 20 0 CCADLP C[C@H](O)C[NH+]1CCN(c2cc(-n3cc[nH+]c3)ncn2)CC1 ZINC000607144915 363339125 /nfs/dbraw/zinc/33/91/25/363339125.db2.gz YSTLSSWHHPONJW-LBPRGKRZSA-N 2 2 288.355 0.165 20 0 CCADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(C(=O)CO)CC1 ZINC000305748455 354159217 /nfs/dbraw/zinc/15/92/17/354159217.db2.gz XFGPEEVEZLIHMY-UHFFFAOYSA-N 2 2 280.372 0.108 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cnn(C)c1 ZINC000311491484 354201018 /nfs/dbraw/zinc/20/10/18/354201018.db2.gz UQUHJQHEOVPPQD-DGCLKSJQSA-N 2 2 270.377 0.010 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cnn(C)c1 ZINC000311491484 354201021 /nfs/dbraw/zinc/20/10/21/354201021.db2.gz UQUHJQHEOVPPQD-DGCLKSJQSA-N 2 2 270.377 0.010 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNc1cc[nH+]c(N(C)C)n1 ZINC000607144925 363340007 /nfs/dbraw/zinc/34/00/07/363340007.db2.gz IHKRAQFPZRRTEW-NSHDSACASA-N 2 2 265.361 0.097 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNc1cc[nH+]c(N(C)C)n1 ZINC000607144925 363340009 /nfs/dbraw/zinc/34/00/09/363340009.db2.gz IHKRAQFPZRRTEW-NSHDSACASA-N 2 2 265.361 0.097 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1[NH+]1CCOCC1 ZINC000329859882 354265990 /nfs/dbraw/zinc/26/59/90/354265990.db2.gz PBYLCMXUFCPLJM-CHWSQXEVSA-N 2 2 292.383 0.521 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000330384361 354337380 /nfs/dbraw/zinc/33/73/80/354337380.db2.gz RBSQOOCRWUPWIN-UHFFFAOYSA-N 2 2 284.404 0.786 20 0 CCADLP CCn1cc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cn1 ZINC000331109844 354452962 /nfs/dbraw/zinc/45/29/62/354452962.db2.gz HWNZLOAYRUOUQA-GFCCVEGCSA-N 2 2 279.388 0.328 20 0 CCADLP Cc1ccc(NC(=O)C(=O)NC2CC[NH+](C)CC2)c(C)[nH+]1 ZINC000331320091 354533481 /nfs/dbraw/zinc/53/34/81/354533481.db2.gz BUYZHXVNJVMUEG-UHFFFAOYSA-N 2 2 290.367 0.847 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000331546765 354603831 /nfs/dbraw/zinc/60/38/31/354603831.db2.gz FKIGABDVNHCDJX-IUODEOHRSA-N 2 2 296.415 0.638 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000331546765 354603833 /nfs/dbraw/zinc/60/38/33/354603833.db2.gz FKIGABDVNHCDJX-IUODEOHRSA-N 2 2 296.415 0.638 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000331546765 354603837 /nfs/dbraw/zinc/60/38/37/354603837.db2.gz FKIGABDVNHCDJX-IUODEOHRSA-N 2 2 296.415 0.638 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000331546765 354603839 /nfs/dbraw/zinc/60/38/39/354603839.db2.gz FKIGABDVNHCDJX-IUODEOHRSA-N 2 2 296.415 0.638 20 0 CCADLP CC1(C)C[NH+](CC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000557623993 291038320 /nfs/dbraw/zinc/03/83/20/291038320.db2.gz DWDQGTRFQPPXHA-AWEZNQCLSA-N 2 2 295.427 0.509 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000531940612 358489009 /nfs/dbraw/zinc/48/90/09/358489009.db2.gz ZJUOXAXLDMPHIS-LSDHHAIUSA-N 3 2 268.449 0.554 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000531940612 358489014 /nfs/dbraw/zinc/48/90/14/358489014.db2.gz ZJUOXAXLDMPHIS-LSDHHAIUSA-N 3 2 268.449 0.554 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000333849049 354804661 /nfs/dbraw/zinc/80/46/61/354804661.db2.gz PQLBDUVRJMMYGW-YIYPIFLZSA-N 2 2 296.415 0.147 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000333849049 354804665 /nfs/dbraw/zinc/80/46/65/354804665.db2.gz PQLBDUVRJMMYGW-YIYPIFLZSA-N 2 2 296.415 0.147 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C1CC(C)(C)C1 ZINC000334645287 354917640 /nfs/dbraw/zinc/91/76/40/354917640.db2.gz MZMNIOLRKJIEQY-UHFFFAOYSA-N 2 2 253.390 0.881 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000423586867 235013073 /nfs/dbraw/zinc/01/30/73/235013073.db2.gz DFIBDYDOOCVGEZ-BPLDGKMQSA-N 2 2 295.427 0.602 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000423586867 235013077 /nfs/dbraw/zinc/01/30/77/235013077.db2.gz DFIBDYDOOCVGEZ-BPLDGKMQSA-N 2 2 295.427 0.602 20 0 CCADLP CCn1nccc1CC[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000328701779 202021412 /nfs/dbraw/zinc/02/14/12/202021412.db2.gz NLZPRYWPMZHIJP-UHFFFAOYSA-N 2 2 288.399 0.986 20 0 CCADLP Cc1nc(C(C)(C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)no1 ZINC000328701293 202021524 /nfs/dbraw/zinc/02/15/24/202021524.db2.gz WODLPKMZTRSGCF-UHFFFAOYSA-N 2 2 295.387 0.367 20 0 CCADLP O=C(NCc1cn2ccccc2[nH+]1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000335203045 354985432 /nfs/dbraw/zinc/98/54/32/354985432.db2.gz KBXUCBBBQXLKDW-SWLSCSKDSA-N 2 2 270.336 0.950 20 0 CCADLP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000335312391 354993721 /nfs/dbraw/zinc/99/37/21/354993721.db2.gz VQKHJHBHEHDFCB-ZYHUDNBSSA-N 2 2 273.327 0.586 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](C)CC[C@@H]1C)[NH+]1CCSCC1 ZINC000335316250 354993882 /nfs/dbraw/zinc/99/38/82/354993882.db2.gz HNJILCRWGSIIMC-STQMWFEESA-N 2 2 285.457 0.976 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+]2CCC1CC2)[NH+]1CCSCC1 ZINC000335774176 355009177 /nfs/dbraw/zinc/00/91/77/355009177.db2.gz SJJOCIIXGAFUGN-LBPRGKRZSA-N 2 2 283.441 0.730 20 0 CCADLP O=C(C[C@H]1CCC[NH2+]CC1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000423763061 235064950 /nfs/dbraw/zinc/06/49/50/235064950.db2.gz TZNPEJKULJOMAV-DZGCQCFKSA-N 2 2 295.427 0.746 20 0 CCADLP O=C(C[C@H]1CCC[NH2+]CC1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000423763061 235064953 /nfs/dbraw/zinc/06/49/53/235064953.db2.gz TZNPEJKULJOMAV-DZGCQCFKSA-N 2 2 295.427 0.746 20 0 CCADLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1cnn(C)c1 ZINC000336791765 355164836 /nfs/dbraw/zinc/16/48/36/355164836.db2.gz OYJSTTZTQMYBDM-GWCFXTLKSA-N 2 2 252.362 0.526 20 0 CCADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1cnn(C)c1 ZINC000336791765 355164837 /nfs/dbraw/zinc/16/48/37/355164837.db2.gz OYJSTTZTQMYBDM-GWCFXTLKSA-N 2 2 252.362 0.526 20 0 CCADLP CCOC(=O)CC[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000336792956 355166082 /nfs/dbraw/zinc/16/60/82/355166082.db2.gz UWWWBKPAURKOCZ-LBPRGKRZSA-N 2 2 258.362 0.327 20 0 CCADLP CCOC(=O)CC[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000336792956 355166085 /nfs/dbraw/zinc/16/60/85/355166085.db2.gz UWWWBKPAURKOCZ-LBPRGKRZSA-N 2 2 258.362 0.327 20 0 CCADLP CCOC(=O)CC[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336792956 355166087 /nfs/dbraw/zinc/16/60/87/355166087.db2.gz UWWWBKPAURKOCZ-LBPRGKRZSA-N 2 2 258.362 0.327 20 0 CCADLP CCOC(=O)CC[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336792956 355166091 /nfs/dbraw/zinc/16/60/91/355166091.db2.gz UWWWBKPAURKOCZ-LBPRGKRZSA-N 2 2 258.362 0.327 20 0 CCADLP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000336797167 355169723 /nfs/dbraw/zinc/16/97/23/355169723.db2.gz ZDYOJWQBZPSSPM-YNEHKIRRSA-N 2 2 253.390 0.975 20 0 CCADLP CCCCNC(=O)[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000336797167 355169727 /nfs/dbraw/zinc/16/97/27/355169727.db2.gz ZDYOJWQBZPSSPM-YNEHKIRRSA-N 2 2 253.390 0.975 20 0 CCADLP C(C[NH+]1CCOCC1)N1CC[NH+](C2CCC2)CC1 ZINC000336722682 355150243 /nfs/dbraw/zinc/15/02/43/355150243.db2.gz YQYMOOBGCMCQRZ-UHFFFAOYSA-N 2 2 253.390 0.489 20 0 CCADLP COCCO[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336837994 355209301 /nfs/dbraw/zinc/20/93/01/355209301.db2.gz MIUCOEJMWMVZDL-HUUCEWRRSA-N 2 2 286.416 0.569 20 0 CCADLP COCCO[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000336837994 355209303 /nfs/dbraw/zinc/20/93/03/355209303.db2.gz MIUCOEJMWMVZDL-HUUCEWRRSA-N 2 2 286.416 0.569 20 0 CCADLP COCCO[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000336837994 355209306 /nfs/dbraw/zinc/20/93/06/355209306.db2.gz MIUCOEJMWMVZDL-HUUCEWRRSA-N 2 2 286.416 0.569 20 0 CCADLP COCCO[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000336837994 355209307 /nfs/dbraw/zinc/20/93/07/355209307.db2.gz MIUCOEJMWMVZDL-HUUCEWRRSA-N 2 2 286.416 0.569 20 0 CCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@]12C[C@H]1CC[NH2+]2 ZINC000424188814 235173982 /nfs/dbraw/zinc/17/39/82/235173982.db2.gz JZAPVFSNOBIZIT-YWVKMMECSA-N 2 2 259.300 0.099 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCS[C@H]2COCC[C@H]21)C1CC1 ZINC000336814402 355189572 /nfs/dbraw/zinc/18/95/72/355189572.db2.gz XAMKWVBLVQDAPY-MJBXVCDLSA-N 2 2 286.441 0.648 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCS[C@H]2COCC[C@H]21)C1CC1 ZINC000336814402 355189573 /nfs/dbraw/zinc/18/95/73/355189573.db2.gz XAMKWVBLVQDAPY-MJBXVCDLSA-N 2 2 286.441 0.648 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCS[C@H]2COCC[C@H]21)C1CC1 ZINC000336814402 355189576 /nfs/dbraw/zinc/18/95/76/355189576.db2.gz XAMKWVBLVQDAPY-MJBXVCDLSA-N 2 2 286.441 0.648 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCS[C@H]2COCC[C@H]21)C1CC1 ZINC000336814402 355189580 /nfs/dbraw/zinc/18/95/80/355189580.db2.gz XAMKWVBLVQDAPY-MJBXVCDLSA-N 2 2 286.441 0.648 20 0 CCADLP O=S1(=O)CCCN1CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000336821583 355196037 /nfs/dbraw/zinc/19/60/37/355196037.db2.gz ILZPVQYLSHDGAK-UHFFFAOYSA-N 2 2 298.412 0.625 20 0 CCADLP CN(CC[C@@H]1CCC[N@@H+]1C)C[C@H](O)C[NH+]1CCOCC1 ZINC000336822904 355197754 /nfs/dbraw/zinc/19/77/54/355197754.db2.gz NKCIREHFSBYEPM-GJZGRUSLSA-N 2 2 285.432 0.096 20 0 CCADLP CN(CC[C@@H]1CCC[N@H+]1C)C[C@H](O)C[NH+]1CCOCC1 ZINC000336822904 355197755 /nfs/dbraw/zinc/19/77/55/355197755.db2.gz NKCIREHFSBYEPM-GJZGRUSLSA-N 2 2 285.432 0.096 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+](C)CCCN1CC[NH+](C)CC1)C1CC1 ZINC000336848498 355216646 /nfs/dbraw/zinc/21/66/46/355216646.db2.gz KMNZMGVUASXHEU-INIZCTEOSA-N 3 2 298.475 0.011 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+](C)CCCN1CC[NH+](C)CC1)C1CC1 ZINC000336848498 355216651 /nfs/dbraw/zinc/21/66/51/355216651.db2.gz KMNZMGVUASXHEU-INIZCTEOSA-N 3 2 298.475 0.011 20 0 CCADLP C[NH+](CCCN1CC[NH+](C)CC1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336848498 355216654 /nfs/dbraw/zinc/21/66/54/355216654.db2.gz KMNZMGVUASXHEU-INIZCTEOSA-N 3 2 298.475 0.011 20 0 CCADLP C[NH+](CCCN1CC[NH+](C)CC1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000336848498 355216657 /nfs/dbraw/zinc/21/66/57/355216657.db2.gz KMNZMGVUASXHEU-INIZCTEOSA-N 3 2 298.475 0.011 20 0 CCADLP COCCn1cc(C[NH2+]C2CC[NH+](C)CC2)cn1 ZINC000337314027 355299255 /nfs/dbraw/zinc/29/92/55/355299255.db2.gz WLMBBJZKVGCNID-UHFFFAOYSA-N 2 2 252.362 0.713 20 0 CCADLP CCn1nccc1CC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000338548643 355366689 /nfs/dbraw/zinc/36/66/89/355366689.db2.gz VOFKGBSWYDEQFO-UHFFFAOYSA-N 2 2 280.416 0.834 20 0 CCADLP CCn1nccc1CC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000338548643 355366692 /nfs/dbraw/zinc/36/66/92/355366692.db2.gz VOFKGBSWYDEQFO-UHFFFAOYSA-N 2 2 280.416 0.834 20 0 CCADLP C[N@@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCN(C4CC4)C3=O)C2)C1 ZINC000334191840 283108108 /nfs/dbraw/zinc/10/81/08/283108108.db2.gz JVYVLYVYMYGWCN-UKRRQHHQSA-N 2 2 263.385 0.777 20 0 CCADLP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCN(C4CC4)C3=O)C2)C1 ZINC000334191840 283108109 /nfs/dbraw/zinc/10/81/09/283108109.db2.gz JVYVLYVYMYGWCN-UKRRQHHQSA-N 2 2 263.385 0.777 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3CCN(C4CC4)C3=O)C2)C1 ZINC000334191840 283108110 /nfs/dbraw/zinc/10/81/10/283108110.db2.gz JVYVLYVYMYGWCN-UKRRQHHQSA-N 2 2 263.385 0.777 20 0 CCADLP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H]3CCN(C4CC4)C3=O)C2)C1 ZINC000334191840 283108111 /nfs/dbraw/zinc/10/81/11/283108111.db2.gz JVYVLYVYMYGWCN-UKRRQHHQSA-N 2 2 263.385 0.777 20 0 CCADLP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cn[nH]c1 ZINC000340476115 355559607 /nfs/dbraw/zinc/55/96/07/355559607.db2.gz SXGKNAGIZLBMFB-WCQYABFASA-N 2 2 252.362 0.907 20 0 CCADLP CCN(C)C(=O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000341143466 355615178 /nfs/dbraw/zinc/61/51/78/355615178.db2.gz LIELMGSIJRAXSE-UHFFFAOYSA-N 2 2 284.448 0.423 20 0 CCADLP CCN(C)C(=O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000341143466 355615180 /nfs/dbraw/zinc/61/51/80/355615180.db2.gz LIELMGSIJRAXSE-UHFFFAOYSA-N 2 2 284.448 0.423 20 0 CCADLP CCN(C)C(=O)CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000341143466 355615183 /nfs/dbraw/zinc/61/51/83/355615183.db2.gz LIELMGSIJRAXSE-UHFFFAOYSA-N 2 2 284.448 0.423 20 0 CCADLP CCN(C)C(=O)CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000341143466 355615187 /nfs/dbraw/zinc/61/51/87/355615187.db2.gz LIELMGSIJRAXSE-UHFFFAOYSA-N 2 2 284.448 0.423 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCC[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000246238651 299232101 /nfs/dbraw/zinc/23/21/01/299232101.db2.gz IOPBEKWBUFEMJM-AVGNSLFASA-N 2 2 269.389 0.211 20 0 CCADLP CN(C)C(=O)C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000341343156 355656592 /nfs/dbraw/zinc/65/65/92/355656592.db2.gz RQQRZCKCYVQBJH-UHFFFAOYSA-N 2 2 276.384 0.724 20 0 CCADLP C[C@H]1C[C@H](NC(=O)N(C)CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000341188409 355625360 /nfs/dbraw/zinc/62/53/60/355625360.db2.gz DBMQJCDWRDVKFY-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H]1C[C@H](NC(=O)N(C)CC[NH+]2CCOCC2)CC[N@H+]1C ZINC000341188409 355625363 /nfs/dbraw/zinc/62/53/63/355625363.db2.gz DBMQJCDWRDVKFY-UONOGXRCSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000427198018 235355583 /nfs/dbraw/zinc/35/55/83/235355583.db2.gz SFTJRVIQJOACEE-JSGCOSHPSA-N 2 2 281.400 0.138 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000427198018 235355585 /nfs/dbraw/zinc/35/55/85/235355585.db2.gz SFTJRVIQJOACEE-JSGCOSHPSA-N 2 2 281.400 0.138 20 0 CCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)[C@H]1CCC[NH+]1C ZINC000345378784 355809919 /nfs/dbraw/zinc/80/99/19/355809919.db2.gz GOPFALFLQOQZQG-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)[C@H]1CCC[NH+]1C ZINC000345378784 355809922 /nfs/dbraw/zinc/80/99/22/355809922.db2.gz GOPFALFLQOQZQG-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)[C@H]1CCC[N@@H+]1C ZINC000345378784 355809924 /nfs/dbraw/zinc/80/99/24/355809924.db2.gz GOPFALFLQOQZQG-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)[C@H]1CCC[N@H+]1C ZINC000345378784 355809926 /nfs/dbraw/zinc/80/99/26/355809926.db2.gz GOPFALFLQOQZQG-CYBMUJFWSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@H]2CCC[NH+]2C)C[C@H](C)O1 ZINC000345406218 355819014 /nfs/dbraw/zinc/81/90/14/355819014.db2.gz HCVNUPPMMOITGP-HZSPNIEDSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)[C@H]2CCC[NH+]2C)C[C@H](C)O1 ZINC000345406218 355819015 /nfs/dbraw/zinc/81/90/15/355819015.db2.gz HCVNUPPMMOITGP-HZSPNIEDSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@@H]1C[NH+](CCN(C)C(=O)[C@H]2CCC[N@@H+]2C)C[C@H](C)O1 ZINC000345406218 355819016 /nfs/dbraw/zinc/81/90/16/355819016.db2.gz HCVNUPPMMOITGP-HZSPNIEDSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@@H]1C[NH+](CCN(C)C(=O)[C@H]2CCC[N@H+]2C)C[C@H](C)O1 ZINC000345406218 355819018 /nfs/dbraw/zinc/81/90/18/355819018.db2.gz HCVNUPPMMOITGP-HZSPNIEDSA-N 2 2 283.416 0.648 20 0 CCADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)s1 ZINC000348382829 355922460 /nfs/dbraw/zinc/92/24/60/355922460.db2.gz LQOLAURCWWKFOE-AWEZNQCLSA-N 2 2 294.424 0.917 20 0 CCADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)s1 ZINC000348382829 355922462 /nfs/dbraw/zinc/92/24/62/355922462.db2.gz LQOLAURCWWKFOE-AWEZNQCLSA-N 2 2 294.424 0.917 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cnn(CC(F)F)c2)C1 ZINC000352917770 356111810 /nfs/dbraw/zinc/11/18/10/356111810.db2.gz YPZFHMDJDFCMCE-GFCCVEGCSA-N 2 2 274.315 0.304 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cnn(CC(F)F)c2)C1 ZINC000352917770 356111812 /nfs/dbraw/zinc/11/18/12/356111812.db2.gz YPZFHMDJDFCMCE-GFCCVEGCSA-N 2 2 274.315 0.304 20 0 CCADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@@]2(O)CCOC2)s1 ZINC000352758818 356072558 /nfs/dbraw/zinc/07/25/58/356072558.db2.gz IJWYLRDOKBRUGW-LBPRGKRZSA-N 2 2 271.386 0.446 20 0 CCADLP C[C@H](C(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000352782161 356079498 /nfs/dbraw/zinc/07/94/98/356079498.db2.gz UKUUNIVTRCLWQU-MGPQQGTHSA-N 2 2 282.432 0.173 20 0 CCADLP C[C@H](C(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000352782161 356079502 /nfs/dbraw/zinc/07/95/02/356079502.db2.gz UKUUNIVTRCLWQU-MGPQQGTHSA-N 2 2 282.432 0.173 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000352830754 356092104 /nfs/dbraw/zinc/09/21/04/356092104.db2.gz VHHSDGSAMLVCHM-HZSPNIEDSA-N 2 2 283.416 0.506 20 0 CCADLP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2n[nH]cc2C)CC1 ZINC000352836232 356092973 /nfs/dbraw/zinc/09/29/73/356092973.db2.gz SOBALNGFLRUGEP-CYBMUJFWSA-N 2 2 265.405 0.834 20 0 CCADLP C[NH+]1CCO[C@H](CNC(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)C1 ZINC000353398534 356215338 /nfs/dbraw/zinc/21/53/38/356215338.db2.gz ZXLFXBSHAGZXAI-MGPQQGTHSA-N 2 2 296.415 0.053 20 0 CCADLP C[NH+]1CCO[C@H](CNC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)C1 ZINC000353398534 356215339 /nfs/dbraw/zinc/21/53/39/356215339.db2.gz ZXLFXBSHAGZXAI-MGPQQGTHSA-N 2 2 296.415 0.053 20 0 CCADLP C[NH+]1CC[C@@H]2CCN(C(=O)NC[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC000353398534 356215340 /nfs/dbraw/zinc/21/53/40/356215340.db2.gz ZXLFXBSHAGZXAI-MGPQQGTHSA-N 2 2 296.415 0.053 20 0 CCADLP C[NH+]1CC[C@@H]2CCN(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC000353398534 356215341 /nfs/dbraw/zinc/21/53/41/356215341.db2.gz ZXLFXBSHAGZXAI-MGPQQGTHSA-N 2 2 296.415 0.053 20 0 CCADLP Cn1cc(N2CC[C@@H]([N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)C2=O)cn1 ZINC000360561989 138000668 /nfs/dbraw/zinc/00/06/68/138000668.db2.gz KGUTWXXHTWDOPN-UKRRQHHQSA-N 2 2 289.383 0.211 20 0 CCADLP Cn1cc(N2CC[C@@H]([N@H+]3CC[C@@]4(CC[NH2+]C4)C3)C2=O)cn1 ZINC000360561989 138000669 /nfs/dbraw/zinc/00/06/69/138000669.db2.gz KGUTWXXHTWDOPN-UKRRQHHQSA-N 2 2 289.383 0.211 20 0 CCADLP CN(Cc1c[nH+]cn1C)C1CC[NH+](CCO)CC1 ZINC000353353432 356207865 /nfs/dbraw/zinc/20/78/65/356207865.db2.gz NIUNQMPESKBESE-UHFFFAOYSA-N 2 2 252.362 0.309 20 0 CCADLP COCCn1cc(C[N@H+](C)C2CC[NH+](CCO)CC2)cn1 ZINC000353353355 356208237 /nfs/dbraw/zinc/20/82/37/356208237.db2.gz MQHPAJVXZZNEQA-UHFFFAOYSA-N 2 2 296.415 0.418 20 0 CCADLP COCCn1cc(C[N@@H+](C)C2CC[NH+](CCO)CC2)cn1 ZINC000353353355 356208242 /nfs/dbraw/zinc/20/82/42/356208242.db2.gz MQHPAJVXZZNEQA-UHFFFAOYSA-N 2 2 296.415 0.418 20 0 CCADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000353573762 356252204 /nfs/dbraw/zinc/25/22/04/356252204.db2.gz AIKWGLMXIVRNFS-TZMCWYRMSA-N 2 2 293.415 0.438 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@@H]1C ZINC000353581909 356253603 /nfs/dbraw/zinc/25/36/03/356253603.db2.gz ZUSDLIDDHHJUME-SDDRHHMPSA-N 2 2 257.378 0.197 20 0 CCADLP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000353581909 356253607 /nfs/dbraw/zinc/25/36/07/356253607.db2.gz ZUSDLIDDHHJUME-SDDRHHMPSA-N 2 2 257.378 0.197 20 0 CCADLP Cc1cn[nH]c1C[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000353674298 356270377 /nfs/dbraw/zinc/27/03/77/356270377.db2.gz UKGQJXIVPGDLMM-UHFFFAOYSA-N 2 2 293.415 0.800 20 0 CCADLP Cc1c[nH]nc1C[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000353674298 356270382 /nfs/dbraw/zinc/27/03/82/356270382.db2.gz UKGQJXIVPGDLMM-UHFFFAOYSA-N 2 2 293.415 0.800 20 0 CCADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000353669934 356270577 /nfs/dbraw/zinc/27/05/77/356270577.db2.gz XALJYSWIDWSXAC-DGCLKSJQSA-N 2 2 279.388 0.427 20 0 CCADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000353511693 356243399 /nfs/dbraw/zinc/24/33/99/356243399.db2.gz JZOIMMRDDLNOPZ-QWHCGFSZSA-N 2 2 291.399 0.442 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCC(=O)NC2)CC1 ZINC000360954910 138017262 /nfs/dbraw/zinc/01/72/62/138017262.db2.gz PBNPTVIARLGZOG-ZDUSSCGKSA-N 2 2 297.399 0.272 20 0 CCADLP CCNC(=O)[C@@H](C)[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000360973323 138017490 /nfs/dbraw/zinc/01/74/90/138017490.db2.gz BQUXXZGJEXOXFG-GFCCVEGCSA-N 2 2 299.415 0.518 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)C1CCOCC1 ZINC000354336136 356392646 /nfs/dbraw/zinc/39/26/46/356392646.db2.gz WAUKKCPRWRDMTB-TZMCWYRMSA-N 2 2 283.416 0.731 20 0 CCADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)C1CCOCC1 ZINC000354336136 356392650 /nfs/dbraw/zinc/39/26/50/356392650.db2.gz WAUKKCPRWRDMTB-TZMCWYRMSA-N 2 2 283.416 0.731 20 0 CCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000362565719 138064504 /nfs/dbraw/zinc/06/45/04/138064504.db2.gz UWQLVLDMOGXVKU-NWDGAFQWSA-N 2 2 291.399 0.701 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000362573876 138064670 /nfs/dbraw/zinc/06/46/70/138064670.db2.gz YAIHKMCMKFUTBB-DGCLKSJQSA-N 2 2 276.384 0.962 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCc1ccc[nH+]c1N(C)C ZINC000362573876 138064671 /nfs/dbraw/zinc/06/46/71/138064671.db2.gz YAIHKMCMKFUTBB-DGCLKSJQSA-N 2 2 276.384 0.962 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)NC[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1C ZINC000362838076 138076702 /nfs/dbraw/zinc/07/67/02/138076702.db2.gz BJMOUULCPFKXBN-KGLIPLIRSA-N 2 2 298.431 0.299 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)NC[C@@H]2C[NH+](C)CCO2)CC[N@H+]1C ZINC000362838076 138076703 /nfs/dbraw/zinc/07/67/03/138076703.db2.gz BJMOUULCPFKXBN-KGLIPLIRSA-N 2 2 298.431 0.299 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC[NH+]1C ZINC000362838076 138076704 /nfs/dbraw/zinc/07/67/04/138076704.db2.gz BJMOUULCPFKXBN-KGLIPLIRSA-N 2 2 298.431 0.299 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1C ZINC000362838076 138076705 /nfs/dbraw/zinc/07/67/05/138076705.db2.gz BJMOUULCPFKXBN-KGLIPLIRSA-N 2 2 298.431 0.299 20 0 CCADLP CC(C)CCOCC[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362838856 138076764 /nfs/dbraw/zinc/07/67/64/138076764.db2.gz PBCDRGKQTNQIIP-OAHLLOKOSA-N 2 2 297.443 0.945 20 0 CCADLP CC(C)CCOCC[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362838856 138076765 /nfs/dbraw/zinc/07/67/65/138076765.db2.gz PBCDRGKQTNQIIP-OAHLLOKOSA-N 2 2 297.443 0.945 20 0 CCADLP COC(=O)C1(O)CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000362653030 138067751 /nfs/dbraw/zinc/06/77/51/138067751.db2.gz UYDMNRCLFULMOZ-GFCCVEGCSA-N 2 2 270.373 0.471 20 0 CCADLP COC(=O)C1(O)CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000362653030 138067752 /nfs/dbraw/zinc/06/77/52/138067752.db2.gz UYDMNRCLFULMOZ-GFCCVEGCSA-N 2 2 270.373 0.471 20 0 CCADLP Cc1noc(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000355055248 356560824 /nfs/dbraw/zinc/56/08/24/356560824.db2.gz AMSQWBIVSUODNZ-GFCCVEGCSA-N 2 2 293.415 0.978 20 0 CCADLP Cc1noc(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000355055248 356560828 /nfs/dbraw/zinc/56/08/28/356560828.db2.gz AMSQWBIVSUODNZ-GFCCVEGCSA-N 2 2 293.415 0.978 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)[N@H+](C)C1 ZINC000328960510 202130058 /nfs/dbraw/zinc/13/00/58/202130058.db2.gz KJEQMIGKWALICD-JSGCOSHPSA-N 2 2 292.383 0.835 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)[N@@H+](C)C1 ZINC000328960510 202130061 /nfs/dbraw/zinc/13/00/61/202130061.db2.gz KJEQMIGKWALICD-JSGCOSHPSA-N 2 2 292.383 0.835 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)[N@H+](C)C1 ZINC000328960510 202130064 /nfs/dbraw/zinc/13/00/64/202130064.db2.gz KJEQMIGKWALICD-JSGCOSHPSA-N 2 2 292.383 0.835 20 0 CCADLP CO[C@H]1C[C@@H](C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)[N@@H+](C)C1 ZINC000328960510 202130068 /nfs/dbraw/zinc/13/00/68/202130068.db2.gz KJEQMIGKWALICD-JSGCOSHPSA-N 2 2 292.383 0.835 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000356149673 356711502 /nfs/dbraw/zinc/71/15/02/356711502.db2.gz FZVSVMXCJNASNR-CHWSQXEVSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000356149673 356711505 /nfs/dbraw/zinc/71/15/05/356711505.db2.gz FZVSVMXCJNASNR-CHWSQXEVSA-N 2 2 286.420 0.347 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000619898053 366377041 /nfs/dbraw/zinc/37/70/41/366377041.db2.gz POUOULDJKFCFHK-NSHDSACASA-N 2 2 250.346 0.563 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC000619898053 366377049 /nfs/dbraw/zinc/37/70/49/366377049.db2.gz POUOULDJKFCFHK-NSHDSACASA-N 2 2 250.346 0.563 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000619889315 366369555 /nfs/dbraw/zinc/36/95/55/366369555.db2.gz ZJAMGPGRDXCYHQ-UHFFFAOYSA-N 2 2 297.443 0.897 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000619889315 366369559 /nfs/dbraw/zinc/36/95/59/366369559.db2.gz ZJAMGPGRDXCYHQ-UHFFFAOYSA-N 2 2 297.443 0.897 20 0 CCADLP CC[NH+]1CCN(CC(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)CC1 ZINC000358712010 356783365 /nfs/dbraw/zinc/78/33/65/356783365.db2.gz QVYFQRRWFAMARM-OKILXGFUSA-N 2 2 282.432 0.175 20 0 CCADLP COc1cccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)n1 ZINC000359699661 356872966 /nfs/dbraw/zinc/87/29/66/356872966.db2.gz JQEUCTQAGGGUAE-CYBMUJFWSA-N 2 2 251.330 0.246 20 0 CCADLP COc1cccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)n1 ZINC000359699661 356872969 /nfs/dbraw/zinc/87/29/69/356872969.db2.gz JQEUCTQAGGGUAE-CYBMUJFWSA-N 2 2 251.330 0.246 20 0 CCADLP COC1(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)CCCC1 ZINC000359713132 356876540 /nfs/dbraw/zinc/87/65/40/356876540.db2.gz AXIXBNKLYRMTJM-CYBMUJFWSA-N 2 2 283.416 0.875 20 0 CCADLP COC1(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)CCCC1 ZINC000359713132 356876543 /nfs/dbraw/zinc/87/65/43/356876543.db2.gz AXIXBNKLYRMTJM-CYBMUJFWSA-N 2 2 283.416 0.875 20 0 CCADLP C[NH+](C)CCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655683932 412645819 /nfs/dbraw/zinc/64/58/19/412645819.db2.gz JBAOQTYTAUTOTB-CQSZACIVSA-N 3 2 255.406 0.781 20 0 CCADLP C[N@H+]1CC=C(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000364283733 357104869 /nfs/dbraw/zinc/10/48/69/357104869.db2.gz QKOFQFHTFDTNCL-ZDUSSCGKSA-N 2 2 274.368 0.824 20 0 CCADLP C[N@@H+]1CC=C(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000364283733 357104871 /nfs/dbraw/zinc/10/48/71/357104871.db2.gz QKOFQFHTFDTNCL-ZDUSSCGKSA-N 2 2 274.368 0.824 20 0 CCADLP CC[C@H](CCO)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655715817 412649782 /nfs/dbraw/zinc/64/97/82/412649782.db2.gz NUSYDOPHTPPMSG-OCCSQVGLSA-N 2 2 256.390 0.990 20 0 CCADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000365193189 357136447 /nfs/dbraw/zinc/13/64/47/357136447.db2.gz URNXOIJQFSCAGF-GFCCVEGCSA-N 2 2 277.434 0.471 20 0 CCADLP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000365193189 357136449 /nfs/dbraw/zinc/13/64/49/357136449.db2.gz URNXOIJQFSCAGF-GFCCVEGCSA-N 2 2 277.434 0.471 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCC(=O)NC(N)=O)C1 ZINC000365625791 357162229 /nfs/dbraw/zinc/16/22/29/357162229.db2.gz ICCXZSBPIWPKRC-JTQLQIEISA-N 2 2 279.344 0.185 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000365625791 357162233 /nfs/dbraw/zinc/16/22/33/357162233.db2.gz ICCXZSBPIWPKRC-JTQLQIEISA-N 2 2 279.344 0.185 20 0 CCADLP CCC(=O)N1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655724780 412651549 /nfs/dbraw/zinc/65/15/49/412651549.db2.gz ZIXMQEGRRBRFJN-GJZGRUSLSA-N 2 2 295.427 0.840 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366012340 357185625 /nfs/dbraw/zinc/18/56/25/357185625.db2.gz BLQXRAPPVQGGCH-ZDUSSCGKSA-N 2 2 269.389 0.260 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366012340 357185628 /nfs/dbraw/zinc/18/56/28/357185628.db2.gz BLQXRAPPVQGGCH-ZDUSSCGKSA-N 2 2 269.389 0.260 20 0 CCADLP Cn1nccc1C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000371418148 357369460 /nfs/dbraw/zinc/36/94/60/357369460.db2.gz BUIBGCSVKQHHHS-OAHLLOKOSA-N 2 2 277.416 0.632 20 0 CCADLP Cn1nccc1C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000371418148 357369466 /nfs/dbraw/zinc/36/94/66/357369466.db2.gz BUIBGCSVKQHHHS-OAHLLOKOSA-N 2 2 277.416 0.632 20 0 CCADLP CCO[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369266210 357342245 /nfs/dbraw/zinc/34/22/45/357342245.db2.gz KPWSAFBRPZZCPU-VHDGCEQUSA-N 2 2 295.427 0.696 20 0 CCADLP CCO[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369266210 357342250 /nfs/dbraw/zinc/34/22/50/357342250.db2.gz KPWSAFBRPZZCPU-VHDGCEQUSA-N 2 2 295.427 0.696 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000376191028 357443609 /nfs/dbraw/zinc/44/36/09/357443609.db2.gz XCUXPFXFWVXGLC-UONOGXRCSA-N 2 2 283.416 0.648 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000376191028 357443611 /nfs/dbraw/zinc/44/36/11/357443611.db2.gz XCUXPFXFWVXGLC-UONOGXRCSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@H](O)C[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655750960 412655094 /nfs/dbraw/zinc/65/50/94/412655094.db2.gz IAVYYKCAYKMWER-OBJOEFQTSA-N 2 2 256.390 0.989 20 0 CCADLP C[C@@H](c1nncn1C)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000376531845 357476724 /nfs/dbraw/zinc/47/67/24/357476724.db2.gz IINVECDNEKRONR-ZDUSSCGKSA-N 2 2 293.415 0.920 20 0 CCADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCn3ccnc32)C1 ZINC000655755266 412656062 /nfs/dbraw/zinc/65/60/62/412656062.db2.gz VNCPKMLGLRAVFK-YPMHNXCESA-N 2 2 250.346 0.374 20 0 CCADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCn3ccnc32)C1 ZINC000655755266 412656067 /nfs/dbraw/zinc/65/60/67/412656067.db2.gz VNCPKMLGLRAVFK-YPMHNXCESA-N 2 2 250.346 0.374 20 0 CCADLP CCN1CC[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1=O ZINC000655765467 412656233 /nfs/dbraw/zinc/65/62/33/412656233.db2.gz GEQNLFJNYOXDHA-ZIAGYGMSSA-N 2 2 281.400 0.450 20 0 CCADLP CCN(C)C(=O)[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655760841 412656529 /nfs/dbraw/zinc/65/65/29/412656529.db2.gz YYXLBRDODXJIQO-TZMCWYRMSA-N 2 2 283.416 0.696 20 0 CCADLP CN(Cc1cnn(C)n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377827605 357621285 /nfs/dbraw/zinc/62/12/85/357621285.db2.gz YGDZWSDNUTYPHS-HNNXBMFYSA-N 2 2 292.431 0.415 20 0 CCADLP CN(Cc1cnn(C)n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377827605 357621289 /nfs/dbraw/zinc/62/12/89/357621289.db2.gz YGDZWSDNUTYPHS-HNNXBMFYSA-N 2 2 292.431 0.415 20 0 CCADLP CC1(C)NC(=O)CC[C@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655766657 412658525 /nfs/dbraw/zinc/65/85/25/412658525.db2.gz SXZPYLJZQOCVFT-UONOGXRCSA-N 2 2 295.427 0.887 20 0 CCADLP Cc1nc(N2CCC(C[NH+]3CCCC3)CC2)nc(N)[nH+]1 ZINC000380273486 357703188 /nfs/dbraw/zinc/70/31/88/357703188.db2.gz YNUGEIOKELIGLR-UHFFFAOYSA-N 2 2 276.388 0.905 20 0 CCADLP Cc1nc(N)nc(N2CCC(C[NH+]3CCCC3)CC2)[nH+]1 ZINC000380273486 357703194 /nfs/dbraw/zinc/70/31/94/357703194.db2.gz YNUGEIOKELIGLR-UHFFFAOYSA-N 2 2 276.388 0.905 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](F)C2)CC1 ZINC000336259432 213094854 /nfs/dbraw/zinc/09/48/54/213094854.db2.gz AOLPPPYROWNFCU-VXGBXAGGSA-N 2 2 257.353 0.583 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](F)C2)CC1 ZINC000336259432 213094856 /nfs/dbraw/zinc/09/48/56/213094856.db2.gz AOLPPPYROWNFCU-VXGBXAGGSA-N 2 2 257.353 0.583 20 0 CCADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCC(N)=O ZINC000389849407 357739252 /nfs/dbraw/zinc/73/92/52/357739252.db2.gz TWTGFQMZFBGCEB-GXTWGEPZSA-N 2 2 261.369 0.972 20 0 CCADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCC(N)=O ZINC000389849407 357739257 /nfs/dbraw/zinc/73/92/57/357739257.db2.gz TWTGFQMZFBGCEB-GXTWGEPZSA-N 2 2 261.369 0.972 20 0 CCADLP Cc1nnc(CC[NH2+]Cc2c[nH+]c(N(C)C)n2C)s1 ZINC000391809326 357747104 /nfs/dbraw/zinc/74/71/04/357747104.db2.gz FSFFHWZHQJMWLP-UHFFFAOYSA-N 2 2 280.401 0.978 20 0 CCADLP C[C@@H]1C[N@H+](CCO)CCN1Cc1cccc2[nH+]ccn21 ZINC000449785628 236052912 /nfs/dbraw/zinc/05/29/12/236052912.db2.gz HVOQQSQIOBZOFR-CYBMUJFWSA-N 2 2 274.368 0.833 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)CCN1Cc1cccc2[nH+]ccn21 ZINC000449785628 236052914 /nfs/dbraw/zinc/05/29/14/236052914.db2.gz HVOQQSQIOBZOFR-CYBMUJFWSA-N 2 2 274.368 0.833 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(S(C)(=O)=O)C2)C[N@@H+]1C1CC1 ZINC000400112898 357786898 /nfs/dbraw/zinc/78/68/98/357786898.db2.gz GSEJHGQZPPFBKS-WOPDTQHZSA-N 2 2 287.429 0.235 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(S(C)(=O)=O)C2)C[N@H+]1C1CC1 ZINC000400112898 357786904 /nfs/dbraw/zinc/78/69/04/357786904.db2.gz GSEJHGQZPPFBKS-WOPDTQHZSA-N 2 2 287.429 0.235 20 0 CCADLP C[NH+]1CCC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000561092572 291116728 /nfs/dbraw/zinc/11/67/28/291116728.db2.gz XCWOUBXQUNICBF-NSHDSACASA-N 2 2 262.357 0.656 20 0 CCADLP Cc1nc(C)c(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])s1 ZINC000561180753 291119628 /nfs/dbraw/zinc/11/96/28/291119628.db2.gz AXLPUFNDBVFBKD-NSHDSACASA-N 2 2 297.428 0.544 20 0 CCADLP Cc1nc(C)c(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])s1 ZINC000561180753 291119629 /nfs/dbraw/zinc/11/96/29/291119629.db2.gz AXLPUFNDBVFBKD-NSHDSACASA-N 2 2 297.428 0.544 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC1CC[NH+](C)CC1 ZINC000408097629 357918822 /nfs/dbraw/zinc/91/88/22/357918822.db2.gz PNGOTCTZUCHMGB-CYBMUJFWSA-N 2 2 297.447 0.016 20 0 CCADLP Cc1noc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)n1 ZINC000408100063 357919238 /nfs/dbraw/zinc/91/92/38/357919238.db2.gz SJAMQKCPSDIUTJ-UHFFFAOYSA-N 2 2 296.371 0.037 20 0 CCADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)Cc1c[nH+]cn1C ZINC000561201033 291120854 /nfs/dbraw/zinc/12/08/54/291120854.db2.gz SGFWWAZIJGKTTD-JSGCOSHPSA-N 2 2 292.383 0.284 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000561225012 291122534 /nfs/dbraw/zinc/12/25/34/291122534.db2.gz IGZOHKWYRJZLRS-ZDUSSCGKSA-N 2 2 269.389 0.119 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N(C)CC[NH+]2CCOCC2)C1 ZINC000561225012 291122536 /nfs/dbraw/zinc/12/25/36/291122536.db2.gz IGZOHKWYRJZLRS-ZDUSSCGKSA-N 2 2 269.389 0.119 20 0 CCADLP C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)[NH+]1CC(C)C1 ZINC000561266205 291125119 /nfs/dbraw/zinc/12/51/19/291125119.db2.gz NJBHHHAEALVSHQ-RBSFLKMASA-N 2 2 295.427 0.506 20 0 CCADLP C[C@H]([NH3+])[C@H](C)NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000417007859 358129467 /nfs/dbraw/zinc/12/94/67/358129467.db2.gz LLLHRKKWRFCQJH-UWVGGRQHSA-N 2 2 265.361 0.683 20 0 CCADLP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420358793 358179809 /nfs/dbraw/zinc/17/98/09/358179809.db2.gz UYPBEDQGCAODRW-RNJOBUHISA-N 2 2 271.405 0.131 20 0 CCADLP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420358793 358179813 /nfs/dbraw/zinc/17/98/13/358179813.db2.gz UYPBEDQGCAODRW-RNJOBUHISA-N 2 2 271.405 0.131 20 0 CCADLP C[NH2+]CCC[N@H+](C)[C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000420394266 358182055 /nfs/dbraw/zinc/18/20/55/358182055.db2.gz ZLLIVLULNCPLDF-JTQLQIEISA-N 2 2 272.393 0.541 20 0 CCADLP C[NH2+]CCC[N@@H+](C)[C@@H](C)C(=O)NC(=O)NC(C)(C)C ZINC000420394266 358182059 /nfs/dbraw/zinc/18/20/59/358182059.db2.gz ZLLIVLULNCPLDF-JTQLQIEISA-N 2 2 272.393 0.541 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000562248477 291140722 /nfs/dbraw/zinc/14/07/22/291140722.db2.gz BKKHRZCONQAGLC-LLVKDONJSA-N 2 2 265.361 0.561 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000562248477 291140723 /nfs/dbraw/zinc/14/07/23/291140723.db2.gz BKKHRZCONQAGLC-LLVKDONJSA-N 2 2 265.361 0.561 20 0 CCADLP C[C@H]1C[C@H](NC(=O)NCCn2cc[nH+]c2)C[N@@H+]1C1CC1 ZINC000176485713 291139459 /nfs/dbraw/zinc/13/94/59/291139459.db2.gz ARAHTZRWDLKSNA-RYUDHWBXSA-N 2 2 277.372 0.808 20 0 CCADLP C[C@H]1C[C@H](NC(=O)NCCn2cc[nH+]c2)C[N@H+]1C1CC1 ZINC000176485713 291139460 /nfs/dbraw/zinc/13/94/60/291139460.db2.gz ARAHTZRWDLKSNA-RYUDHWBXSA-N 2 2 277.372 0.808 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H]2CCN(C(C)C)C2=O)C1 ZINC000430625878 358228311 /nfs/dbraw/zinc/22/83/11/358228311.db2.gz KSDMJYTZTQUREV-CHWSQXEVSA-N 2 2 253.390 0.927 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H]2CCN(C(C)C)C2=O)C1 ZINC000430625878 358228314 /nfs/dbraw/zinc/22/83/14/358228314.db2.gz KSDMJYTZTQUREV-CHWSQXEVSA-N 2 2 253.390 0.927 20 0 CCADLP C[C@H](CS(C)(=O)=O)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432438927 358230865 /nfs/dbraw/zinc/23/08/65/358230865.db2.gz DQSLBMPRECXISM-CHWSQXEVSA-N 2 2 292.445 0.510 20 0 CCADLP C[C@H](CS(C)(=O)=O)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432438927 358230868 /nfs/dbraw/zinc/23/08/68/358230868.db2.gz DQSLBMPRECXISM-CHWSQXEVSA-N 2 2 292.445 0.510 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CC2(CS(C)(=O)=O)CC2)CC[N@@H+]1C ZINC000181226940 291145806 /nfs/dbraw/zinc/14/58/06/291145806.db2.gz PJHBTUMLZQLFAD-NWDGAFQWSA-N 2 2 274.430 0.884 20 0 CCADLP C[C@H]1C[C@H]([NH2+]CC2(CS(C)(=O)=O)CC2)CC[N@H+]1C ZINC000181226940 291145807 /nfs/dbraw/zinc/14/58/07/291145807.db2.gz PJHBTUMLZQLFAD-NWDGAFQWSA-N 2 2 274.430 0.884 20 0 CCADLP COc1cc([C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C)ccn1 ZINC000562376365 291148455 /nfs/dbraw/zinc/14/84/55/291148455.db2.gz QYWLNGZDCNUWJI-PWSUYJOCSA-N 2 2 253.346 0.663 20 0 CCADLP C[C@H](C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)S(C)(=O)=O ZINC000567725863 358577260 /nfs/dbraw/zinc/57/72/60/358577260.db2.gz MKJBWZMJRPXQOD-MNOVXSKESA-N 2 2 260.403 0.493 20 0 CCADLP C[C@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)S(C)(=O)=O ZINC000567725863 358577262 /nfs/dbraw/zinc/57/72/62/358577262.db2.gz MKJBWZMJRPXQOD-MNOVXSKESA-N 2 2 260.403 0.493 20 0 CCADLP C[C@](O)(C[NH2+]C[C@H](O)C[NH+]1CCCC1)C(F)(F)F ZINC000567898774 358609954 /nfs/dbraw/zinc/60/99/54/358609954.db2.gz AYMCVMSLJAGLQN-UWVGGRQHSA-N 2 2 270.295 0.346 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000567949585 358617292 /nfs/dbraw/zinc/61/72/92/358617292.db2.gz KBTMSJAAPGIFAB-GFCCVEGCSA-N 2 2 250.346 0.895 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC000567949585 358617295 /nfs/dbraw/zinc/61/72/95/358617295.db2.gz KBTMSJAAPGIFAB-GFCCVEGCSA-N 2 2 250.346 0.895 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000567949585 358617300 /nfs/dbraw/zinc/61/73/00/358617300.db2.gz KBTMSJAAPGIFAB-GFCCVEGCSA-N 2 2 250.346 0.895 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000567949585 358617303 /nfs/dbraw/zinc/61/73/03/358617303.db2.gz KBTMSJAAPGIFAB-GFCCVEGCSA-N 2 2 250.346 0.895 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC2(C[C@H]2C(=O)OC)CC1 ZINC000568169786 358640633 /nfs/dbraw/zinc/64/06/33/358640633.db2.gz UEKMRSGIIHWLJL-OLZOCXBDSA-N 2 2 284.400 0.574 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC2(C[C@H]2C(=O)OC)CC1 ZINC000568169786 358640637 /nfs/dbraw/zinc/64/06/37/358640637.db2.gz UEKMRSGIIHWLJL-OLZOCXBDSA-N 2 2 284.400 0.574 20 0 CCADLP O[C@H](C[NH2+]CCC[NH+]1CCC(O)CC1)C(F)(F)F ZINC000568749967 358701922 /nfs/dbraw/zinc/70/19/22/358701922.db2.gz PNHYMZMPUZJXLR-SNVBAGLBSA-N 2 2 270.295 0.346 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000568207379 358648086 /nfs/dbraw/zinc/64/80/86/358648086.db2.gz FYXNSCOSNUSSCD-ZDUSSCGKSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@H](O)C[NH+]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000568207379 358648087 /nfs/dbraw/zinc/64/80/87/358648087.db2.gz FYXNSCOSNUSSCD-ZDUSSCGKSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@H]1C[N@H+](CCO)CCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC000568226619 358652801 /nfs/dbraw/zinc/65/28/01/358652801.db2.gz FZICCOYDFVOREE-ZDUSSCGKSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@H]1C[N@@H+](CCO)CCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC000568226619 358652802 /nfs/dbraw/zinc/65/28/02/358652802.db2.gz FZICCOYDFVOREE-ZDUSSCGKSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@H]1C[NH+](CCO)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000568226619 358652804 /nfs/dbraw/zinc/65/28/04/358652804.db2.gz FZICCOYDFVOREE-ZDUSSCGKSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@H]1C[NH+](CCO)CCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000568226619 358652807 /nfs/dbraw/zinc/65/28/07/358652807.db2.gz FZICCOYDFVOREE-ZDUSSCGKSA-N 2 2 283.416 0.243 20 0 CCADLP CCn1nc(C)c(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1C ZINC000568533619 358685365 /nfs/dbraw/zinc/68/53/65/358685365.db2.gz OGDVPXDXDWPXIK-JSGCOSHPSA-N 2 2 291.399 0.264 20 0 CCADLP CCn1nc(C)c(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1C ZINC000568533619 358685366 /nfs/dbraw/zinc/68/53/66/358685366.db2.gz OGDVPXDXDWPXIK-JSGCOSHPSA-N 2 2 291.399 0.264 20 0 CCADLP [NH3+][C@H](C(=O)NCC[C@@H]1CCC[NH2+]C1)c1cscn1 ZINC000568619517 358689025 /nfs/dbraw/zinc/68/90/25/358689025.db2.gz BHKKZULUHDSGFI-ONGXEEELSA-N 2 2 268.386 0.649 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C[NH+]1CCC(C)(C)C1 ZINC000568649621 358694301 /nfs/dbraw/zinc/69/43/01/358694301.db2.gz HSARUWGRJOHCOA-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C[NH+]1CCC(C)(C)C1 ZINC000568649621 358694305 /nfs/dbraw/zinc/69/43/05/358694305.db2.gz HSARUWGRJOHCOA-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000568649621 358694308 /nfs/dbraw/zinc/69/43/08/358694308.db2.gz HSARUWGRJOHCOA-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000568649621 358694311 /nfs/dbraw/zinc/69/43/11/358694311.db2.gz HSARUWGRJOHCOA-CYBMUJFWSA-N 2 2 283.416 0.555 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCC(F)(F)C[NH3+] ZINC000568731039 358698083 /nfs/dbraw/zinc/69/80/83/358698083.db2.gz IUZAOTPSGHJOKZ-SECBINFHSA-N 2 2 264.320 0.316 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCC(F)(F)C[NH3+] ZINC000568731039 358698088 /nfs/dbraw/zinc/69/80/88/358698088.db2.gz IUZAOTPSGHJOKZ-SECBINFHSA-N 2 2 264.320 0.316 20 0 CCADLP O[C@@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)Cn1cccn1 ZINC000569333760 358753850 /nfs/dbraw/zinc/75/38/50/358753850.db2.gz TYLYQGMBGFVCTR-QWRGUYRKSA-N 2 2 261.329 0.114 20 0 CCADLP O[C@@H](C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1)Cn1cccn1 ZINC000569333760 358753853 /nfs/dbraw/zinc/75/38/53/358753853.db2.gz TYLYQGMBGFVCTR-QWRGUYRKSA-N 2 2 261.329 0.114 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cnn(C)c1C ZINC000569497041 358769493 /nfs/dbraw/zinc/76/94/93/358769493.db2.gz YQMBCXYGJFYXAG-JQWIXIFHSA-N 2 2 254.378 0.692 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cnn(C)c1C ZINC000569497041 358769498 /nfs/dbraw/zinc/76/94/98/358769498.db2.gz YQMBCXYGJFYXAG-JQWIXIFHSA-N 2 2 254.378 0.692 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H](C)[NH+]2CC(C)C2)C1 ZINC000569985356 358812027 /nfs/dbraw/zinc/81/20/27/358812027.db2.gz CKHZLMRVMVHPMU-LSDHHAIUSA-N 2 2 297.443 0.800 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H](C)[NH+]2CC(C)C2)C1 ZINC000569985356 358812030 /nfs/dbraw/zinc/81/20/30/358812030.db2.gz CKHZLMRVMVHPMU-LSDHHAIUSA-N 2 2 297.443 0.800 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]C2CC(C)(F)C2)C[C@H](C)O1 ZINC000569837388 358798685 /nfs/dbraw/zinc/79/86/85/358798685.db2.gz OFSFYQYEKYUPMC-VZANTVGXSA-N 2 2 274.380 0.937 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]C2CC(C)(F)C2)C[C@H](C)O1 ZINC000569837388 358798687 /nfs/dbraw/zinc/79/86/87/358798687.db2.gz OFSFYQYEKYUPMC-VZANTVGXSA-N 2 2 274.380 0.937 20 0 CCADLP C[C@H](C[NH3+])N(C)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000570210716 358833544 /nfs/dbraw/zinc/83/35/44/358833544.db2.gz QCLFJNDKEKPFDN-GFCCVEGCSA-N 2 2 293.415 0.438 20 0 CCADLP C[C@H](CCO)C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000570570242 358870887 /nfs/dbraw/zinc/87/08/87/358870887.db2.gz MIVCMIVCVCTMOO-YIYPIFLZSA-N 2 2 274.405 0.065 20 0 CCADLP C[C@H](CCO)C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000570570242 358870891 /nfs/dbraw/zinc/87/08/91/358870891.db2.gz MIVCMIVCVCTMOO-YIYPIFLZSA-N 2 2 274.405 0.065 20 0 CCADLP C[N@@H+]1CCN(C(=O)COc2ccc(F)cc2F)[C@H](C[NH3+])C1 ZINC000570278342 358840265 /nfs/dbraw/zinc/84/02/65/358840265.db2.gz ZTEVFUSCHJAJNZ-LLVKDONJSA-N 2 2 299.321 0.445 20 0 CCADLP C[N@H+]1CCN(C(=O)COc2ccc(F)cc2F)[C@H](C[NH3+])C1 ZINC000570278342 358840271 /nfs/dbraw/zinc/84/02/71/358840271.db2.gz ZTEVFUSCHJAJNZ-LLVKDONJSA-N 2 2 299.321 0.445 20 0 CCADLP CCn1ncnc1C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000570632893 358877255 /nfs/dbraw/zinc/87/72/55/358877255.db2.gz GAKYOLNGBJFEGK-LBPRGKRZSA-N 2 2 279.388 0.485 20 0 CCADLP CCn1ncnc1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000570632893 358877258 /nfs/dbraw/zinc/87/72/58/358877258.db2.gz GAKYOLNGBJFEGK-LBPRGKRZSA-N 2 2 279.388 0.485 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@@H](C)[NH+]1CCN(C)CC1)[C@H](C)[NH3+] ZINC000570679460 358883060 /nfs/dbraw/zinc/88/30/60/358883060.db2.gz XGLQBHZRRKDJDW-RDBSUJKOSA-N 2 2 284.448 0.358 20 0 CCADLP CCCN(C(=O)[C@@H](C)[NH+]1CCN(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000571165471 358917561 /nfs/dbraw/zinc/91/75/61/358917561.db2.gz CHCGKQCMIPXSOB-ZIAGYGMSSA-N 2 2 282.432 0.223 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000571047536 358907139 /nfs/dbraw/zinc/90/71/39/358907139.db2.gz VYTQWNPNSMSMBX-IUODEOHRSA-N 2 2 264.369 0.376 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000571047536 358907142 /nfs/dbraw/zinc/90/71/42/358907142.db2.gz VYTQWNPNSMSMBX-IUODEOHRSA-N 2 2 264.369 0.376 20 0 CCADLP COC1(C[NH2+]C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)CCC1 ZINC000573438556 358966902 /nfs/dbraw/zinc/96/69/02/358966902.db2.gz FVKNQOQLAKWJKG-MCIONIFRSA-N 2 2 286.416 0.615 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)NC(=O)CCc1c[nH+]c[nH]1 ZINC000573136204 358941735 /nfs/dbraw/zinc/94/17/35/358941735.db2.gz RGAVTMDLJWUSDS-CYBMUJFWSA-N 2 2 282.388 0.551 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)NC(=O)CCc1c[nH]c[nH+]1 ZINC000573136204 358941739 /nfs/dbraw/zinc/94/17/39/358941739.db2.gz RGAVTMDLJWUSDS-CYBMUJFWSA-N 2 2 282.388 0.551 20 0 CCADLP CN(C(=O)[C@H]([NH3+])c1c(F)cccc1F)[C@@H]1CC[NH2+]C1 ZINC000562805426 291168131 /nfs/dbraw/zinc/16/81/31/291168131.db2.gz UDRUENVJLQHETP-PRHODGIISA-N 2 2 269.295 0.785 20 0 CCADLP CCC1(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CCOCC1 ZINC000562805511 291168270 /nfs/dbraw/zinc/16/82/70/291168270.db2.gz WOFXCWRZGVJGBL-CYBMUJFWSA-N 2 2 298.431 0.478 20 0 CCADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Cn1cc[nH+]c1 ZINC000575918561 359044821 /nfs/dbraw/zinc/04/48/21/359044821.db2.gz XRPYRGRHEPPXDQ-LBPRGKRZSA-N 2 2 280.372 0.187 20 0 CCADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Cn1cc[nH+]c1 ZINC000575918561 359044823 /nfs/dbraw/zinc/04/48/23/359044823.db2.gz XRPYRGRHEPPXDQ-LBPRGKRZSA-N 2 2 280.372 0.187 20 0 CCADLP Cc1cc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ccc1F ZINC000573578003 358981673 /nfs/dbraw/zinc/98/16/73/358981673.db2.gz AOUXZPYEERTYKT-GXTWGEPZSA-N 2 2 277.343 0.878 20 0 CCADLP Cc1cc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ccc1F ZINC000573578003 358981676 /nfs/dbraw/zinc/98/16/76/358981676.db2.gz AOUXZPYEERTYKT-GXTWGEPZSA-N 2 2 277.343 0.878 20 0 CCADLP COC(C)(C)C[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000573677127 358989734 /nfs/dbraw/zinc/98/97/34/358989734.db2.gz SYKZPACHTPPRKY-XQQFMLRXSA-N 2 2 274.405 0.471 20 0 CCADLP COC(C)(C)C[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000573677127 358989737 /nfs/dbraw/zinc/98/97/37/358989737.db2.gz SYKZPACHTPPRKY-XQQFMLRXSA-N 2 2 274.405 0.471 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCC[NH+]1CCOC[C@H]1C ZINC000579923496 359061697 /nfs/dbraw/zinc/06/16/97/359061697.db2.gz DBHGALNPKBKYHW-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCC[NH+]1CCOC[C@H]1C ZINC000579923496 359061702 /nfs/dbraw/zinc/06/17/02/359061702.db2.gz DBHGALNPKBKYHW-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@@H]1C[NH+](C)CCN1C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000579923496 359061707 /nfs/dbraw/zinc/06/17/07/359061707.db2.gz DBHGALNPKBKYHW-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@@H]1C[NH+](C)CCN1C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000579923496 359061710 /nfs/dbraw/zinc/06/17/10/359061710.db2.gz DBHGALNPKBKYHW-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP CCO[C@H]1C[C@H]1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000584568984 359172713 /nfs/dbraw/zinc/17/27/13/359172713.db2.gz KFYYHHWLAYOFJC-KGLIPLIRSA-N 2 2 298.431 0.489 20 0 CCADLP COCCCNC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000584781115 359205143 /nfs/dbraw/zinc/20/51/43/359205143.db2.gz KWWVGNCTKCZASJ-AWEZNQCLSA-N 2 2 269.389 0.215 20 0 CCADLP COCCCNC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000584781115 359205148 /nfs/dbraw/zinc/20/51/48/359205148.db2.gz KWWVGNCTKCZASJ-AWEZNQCLSA-N 2 2 269.389 0.215 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]CCC(=O)NC(N)=O ZINC000562993233 291179058 /nfs/dbraw/zinc/17/90/58/291179058.db2.gz BNPXLXZKLIYAHH-JTQLQIEISA-N 2 2 256.350 0.035 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C[NH2+]CCC(=O)NC(N)=O ZINC000562993233 291179059 /nfs/dbraw/zinc/17/90/59/291179059.db2.gz BNPXLXZKLIYAHH-JTQLQIEISA-N 2 2 256.350 0.035 20 0 CCADLP C[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000590637690 359502346 /nfs/dbraw/zinc/50/23/46/359502346.db2.gz SFMAPLOCXSBATJ-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP C[N@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCOCC2(C)C)C1 ZINC000590637690 359502353 /nfs/dbraw/zinc/50/23/53/359502353.db2.gz SFMAPLOCXSBATJ-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+]1CCC[C@@H](NC(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000590637690 359502356 /nfs/dbraw/zinc/50/23/56/359502356.db2.gz SFMAPLOCXSBATJ-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+]1CCC[C@@H](NC(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000590637690 359502361 /nfs/dbraw/zinc/50/23/61/359502361.db2.gz SFMAPLOCXSBATJ-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](CCO)C2)CC1 ZINC000591476300 359598373 /nfs/dbraw/zinc/59/83/73/359598373.db2.gz MFNLVJHRPWIGBP-GJZGRUSLSA-N 2 2 297.443 0.633 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](CCO)C2)CC1 ZINC000591476300 359598375 /nfs/dbraw/zinc/59/83/75/359598375.db2.gz MFNLVJHRPWIGBP-GJZGRUSLSA-N 2 2 297.443 0.633 20 0 CCADLP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Nc1ccon1 ZINC000591868382 359668572 /nfs/dbraw/zinc/66/85/72/359668572.db2.gz YQZQEMGGOSVTDH-LLVKDONJSA-N 2 2 275.312 0.569 20 0 CCADLP CC(C)[NH+]1CC(NC(=O)[C@@H](c2c[nH+]cn2C)N(C)C)C1 ZINC000297224403 200119021 /nfs/dbraw/zinc/11/90/21/200119021.db2.gz XXIGWDSDFNKCOZ-CYBMUJFWSA-N 2 2 279.388 0.232 20 0 CCADLP CC[NH+](CC)CCC[N@@H+]1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000592202361 359791990 /nfs/dbraw/zinc/79/19/90/359791990.db2.gz FIVSJOUURQDFTG-CHWSQXEVSA-N 2 2 272.389 0.574 20 0 CCADLP CC[NH+](CC)CCC[N@H+]1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000592202361 359791994 /nfs/dbraw/zinc/79/19/94/359791994.db2.gz FIVSJOUURQDFTG-CHWSQXEVSA-N 2 2 272.389 0.574 20 0 CCADLP CCN1CC[NH+]([C@@H]2CCN(C(=O)C[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000592134236 359762498 /nfs/dbraw/zinc/76/24/98/359762498.db2.gz LRXRJRIWCZWHQY-LSDHHAIUSA-N 2 2 294.443 0.367 20 0 CCADLP C[N@@H+]1CCN(C(=O)c2cccc3cnccc32)[C@H](C[NH3+])C1 ZINC000563202900 291205256 /nfs/dbraw/zinc/20/52/56/291205256.db2.gz KDNMWPWDZLUSIX-CYBMUJFWSA-N 2 2 284.363 0.950 20 0 CCADLP C[N@H+]1CCN(C(=O)c2cccc3cnccc32)[C@H](C[NH3+])C1 ZINC000563202900 291205258 /nfs/dbraw/zinc/20/52/58/291205258.db2.gz KDNMWPWDZLUSIX-CYBMUJFWSA-N 2 2 284.363 0.950 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000297968844 200310899 /nfs/dbraw/zinc/31/08/99/200310899.db2.gz XESYINGJPDEJBX-UHFFFAOYSA-N 2 2 299.378 0.931 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCOCC2)CC[NH2+]1 ZINC000621158042 366659613 /nfs/dbraw/zinc/65/96/13/366659613.db2.gz HSOOBPUPWPBRBN-ZDUSSCGKSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)[C@H]1CN(C(=O)[C@@H](c2c[nH+]cn2C)N(C)C)CC[NH2+]1 ZINC000621158828 366661472 /nfs/dbraw/zinc/66/14/72/366661472.db2.gz YJZUCBOCZUCFBY-TZMCWYRMSA-N 2 2 293.415 0.479 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](CCc2c[nH+]cn2C)C[C@H](C)O1 ZINC000593086938 360031593 /nfs/dbraw/zinc/03/15/93/360031593.db2.gz BNAWGQXOJMQQFY-JQWIXIFHSA-N 2 2 267.329 0.225 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](CCc2c[nH+]cn2C)C[C@H](C)O1 ZINC000593086938 360031599 /nfs/dbraw/zinc/03/15/99/360031599.db2.gz BNAWGQXOJMQQFY-JQWIXIFHSA-N 2 2 267.329 0.225 20 0 CCADLP C[C@H](O)CNc1cc(NCC[N@H+](C)C2CC2)nc[nH+]1 ZINC000298186589 200355259 /nfs/dbraw/zinc/35/52/59/200355259.db2.gz HARZPWYBGCDZPH-JTQLQIEISA-N 2 2 265.361 0.775 20 0 CCADLP C[C@H](O)CNc1cc(NCC[N@@H+](C)C2CC2)nc[nH+]1 ZINC000298186589 200355260 /nfs/dbraw/zinc/35/52/60/200355260.db2.gz HARZPWYBGCDZPH-JTQLQIEISA-N 2 2 265.361 0.775 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](C[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000593314183 360063966 /nfs/dbraw/zinc/06/39/66/360063966.db2.gz AUHRAWLVNAIUFY-TUAOUCFPSA-N 2 2 256.346 0.248 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](C[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000593314183 360063969 /nfs/dbraw/zinc/06/39/69/360063969.db2.gz AUHRAWLVNAIUFY-TUAOUCFPSA-N 2 2 256.346 0.248 20 0 CCADLP COCC(=O)N1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000563353749 291215786 /nfs/dbraw/zinc/21/57/86/291215786.db2.gz FUAUUEVWAHVEDK-UHFFFAOYSA-N 2 2 280.372 0.143 20 0 CCADLP Cc1cccc2[nH+]c(CN3C[C@H](O)[C@@H]([NH+](C)C)C3)cn21 ZINC000563363053 291217632 /nfs/dbraw/zinc/21/76/32/291217632.db2.gz IZGXFXVOYPGHRC-KBPBESRZSA-N 2 2 274.368 0.749 20 0 CCADLP CSCC1(CC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1 ZINC000593902628 360200718 /nfs/dbraw/zinc/20/07/18/360200718.db2.gz CTVFPNBXMNRHDR-LLVKDONJSA-N 2 2 271.430 0.621 20 0 CCADLP CSCC1(CC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1 ZINC000593902628 360200723 /nfs/dbraw/zinc/20/07/23/360200723.db2.gz CTVFPNBXMNRHDR-LLVKDONJSA-N 2 2 271.430 0.621 20 0 CCADLP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000563374944 291219563 /nfs/dbraw/zinc/21/95/63/291219563.db2.gz CASPLYDUWNFBPN-MGPQQGTHSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000563374944 291219564 /nfs/dbraw/zinc/21/95/64/291219564.db2.gz CASPLYDUWNFBPN-MGPQQGTHSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@H]1C[N@H+](C)CCN1C(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000563397009 291223183 /nfs/dbraw/zinc/22/31/83/291223183.db2.gz IYIGFTJGWMZDCC-STQMWFEESA-N 2 2 253.390 0.879 20 0 CCADLP CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000563397009 291223185 /nfs/dbraw/zinc/22/31/85/291223185.db2.gz IYIGFTJGWMZDCC-STQMWFEESA-N 2 2 253.390 0.879 20 0 CCADLP Cc1noc(C)c1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594736684 360371256 /nfs/dbraw/zinc/37/12/56/360371256.db2.gz JYPWAQUIEHGSIG-ZYHUDNBSSA-N 2 2 264.329 0.035 20 0 CCADLP Cc1noc(C)c1C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000594736684 360371259 /nfs/dbraw/zinc/37/12/59/360371259.db2.gz JYPWAQUIEHGSIG-ZYHUDNBSSA-N 2 2 264.329 0.035 20 0 CCADLP COc1cccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1F ZINC000594738111 360371439 /nfs/dbraw/zinc/37/14/39/360371439.db2.gz HRVYIFBLIBENOK-NWDGAFQWSA-N 2 2 293.342 0.578 20 0 CCADLP COc1cccc(C[N@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1F ZINC000594738111 360371441 /nfs/dbraw/zinc/37/14/41/360371441.db2.gz HRVYIFBLIBENOK-NWDGAFQWSA-N 2 2 293.342 0.578 20 0 CCADLP CC[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2CNc3ccnn3C2)C1 ZINC000595146430 360443567 /nfs/dbraw/zinc/44/35/67/360443567.db2.gz FCCRRQSTFYTNHK-OLZOCXBDSA-N 2 2 263.389 0.999 20 0 CCADLP CC[N@H+]1CCC[C@H]([NH2+]C[C@@H]2CNc3ccnn3C2)C1 ZINC000595146430 360443573 /nfs/dbraw/zinc/44/35/73/360443573.db2.gz FCCRRQSTFYTNHK-OLZOCXBDSA-N 2 2 263.389 0.999 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000594946280 360424404 /nfs/dbraw/zinc/42/44/04/360424404.db2.gz DFIIDEJZSLWUJC-QWHCGFSZSA-N 2 2 279.388 0.913 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000594946280 360424407 /nfs/dbraw/zinc/42/44/07/360424407.db2.gz DFIIDEJZSLWUJC-QWHCGFSZSA-N 2 2 279.388 0.913 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000594988388 360430885 /nfs/dbraw/zinc/43/08/85/360430885.db2.gz FUIBOTBKJLABJY-UONOGXRCSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000594988388 360430894 /nfs/dbraw/zinc/43/08/94/360430894.db2.gz FUIBOTBKJLABJY-UONOGXRCSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000594988388 360430903 /nfs/dbraw/zinc/43/09/03/360430903.db2.gz FUIBOTBKJLABJY-UONOGXRCSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@H]1COCC[NH+]1CCNC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000594988388 360430908 /nfs/dbraw/zinc/43/09/08/360430908.db2.gz FUIBOTBKJLABJY-UONOGXRCSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@H](CSCCF)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000595017826 360433077 /nfs/dbraw/zinc/43/30/77/360433077.db2.gz LTBNKPDIUUKCFC-VXGBXAGGSA-N 2 2 263.426 0.913 20 0 CCADLP C[C@H](CSCCF)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000595017826 360433082 /nfs/dbraw/zinc/43/30/82/360433082.db2.gz LTBNKPDIUUKCFC-VXGBXAGGSA-N 2 2 263.426 0.913 20 0 CCADLP CS[C@@H]1CN(Cc2cn(C)c[nH+]2)C[C@@H]1[NH+](C)C ZINC000595404736 360522263 /nfs/dbraw/zinc/52/22/63/360522263.db2.gz UHJOJJPSIJPVOS-NWDGAFQWSA-N 2 2 254.403 0.898 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595506924 360554007 /nfs/dbraw/zinc/55/40/07/360554007.db2.gz IUIQJKSOCZBSMS-SWLSCSKDSA-N 2 2 296.415 0.638 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595506924 360554011 /nfs/dbraw/zinc/55/40/11/360554011.db2.gz IUIQJKSOCZBSMS-SWLSCSKDSA-N 2 2 296.415 0.638 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595506924 360554015 /nfs/dbraw/zinc/55/40/15/360554015.db2.gz IUIQJKSOCZBSMS-SWLSCSKDSA-N 2 2 296.415 0.638 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595506924 360554022 /nfs/dbraw/zinc/55/40/22/360554022.db2.gz IUIQJKSOCZBSMS-SWLSCSKDSA-N 2 2 296.415 0.638 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)n1C ZINC000563441139 291230382 /nfs/dbraw/zinc/23/03/82/291230382.db2.gz VUYKGNNKYDQUFV-DGCLKSJQSA-N 2 2 269.389 0.976 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H](C2CC2)C(F)(F)F)[C@H](C[NH3+])C1 ZINC000563498202 291233392 /nfs/dbraw/zinc/23/33/92/291233392.db2.gz OHQPRJDIUYLVTM-ZJUUUORDSA-N 2 2 294.321 0.612 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H](C2CC2)C(F)(F)F)[C@H](C[NH3+])C1 ZINC000563498202 291233394 /nfs/dbraw/zinc/23/33/94/291233394.db2.gz OHQPRJDIUYLVTM-ZJUUUORDSA-N 2 2 294.321 0.612 20 0 CCADLP CCC[C@@](C)([NH2+]C[C@H]1CCC2(C[NH2+]C2)O1)C(=O)OC ZINC000595890048 360690922 /nfs/dbraw/zinc/69/09/22/360690922.db2.gz BAEOLRJUFJHJNC-DGCLKSJQSA-N 2 2 270.373 0.829 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H]2CCN(CCC(=O)OC)C2=O)C1 ZINC000595892372 360691890 /nfs/dbraw/zinc/69/18/90/360691890.db2.gz MYPAALSGORGMMO-CHWSQXEVSA-N 2 2 297.399 0.082 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+]([C@@H]2CCN(CCC(=O)OC)C2=O)C1 ZINC000595892372 360691897 /nfs/dbraw/zinc/69/18/97/360691897.db2.gz MYPAALSGORGMMO-CHWSQXEVSA-N 2 2 297.399 0.082 20 0 CCADLP CCOC(=O)[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000595893505 360693279 /nfs/dbraw/zinc/69/32/79/360693279.db2.gz RXEQLZOXWNYCDN-NEPJUHHUSA-N 2 2 256.346 0.250 20 0 CCADLP CCOC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000595893505 360693282 /nfs/dbraw/zinc/69/32/82/360693282.db2.gz RXEQLZOXWNYCDN-NEPJUHHUSA-N 2 2 256.346 0.250 20 0 CCADLP COC(=O)CC[N@H+](C[C@H]1CCCO1)C[C@@H]1C[NH2+]CCO1 ZINC000595893660 360694148 /nfs/dbraw/zinc/69/41/48/360694148.db2.gz TYVCVNKXBQYXSR-OLZOCXBDSA-N 2 2 286.372 0.019 20 0 CCADLP COC(=O)CC[N@@H+](C[C@H]1CCCO1)C[C@@H]1C[NH2+]CCO1 ZINC000595893660 360694151 /nfs/dbraw/zinc/69/41/51/360694151.db2.gz TYVCVNKXBQYXSR-OLZOCXBDSA-N 2 2 286.372 0.019 20 0 CCADLP CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000595950645 360728875 /nfs/dbraw/zinc/72/88/75/360728875.db2.gz VOIQUQYZFRKSMU-SLEUVZQESA-N 2 2 299.415 0.504 20 0 CCADLP Cc1cc(NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)cc[nH+]1 ZINC000563533899 291235506 /nfs/dbraw/zinc/23/55/06/291235506.db2.gz CVZDYTBOQMOIKL-LBPRGKRZSA-N 2 2 286.339 0.408 20 0 CCADLP Cc1ncc(C[NH+]2CCN(C(=O)[C@H]3CCC[NH2+]3)CC2)s1 ZINC000178883905 189152586 /nfs/dbraw/zinc/15/25/86/189152586.db2.gz YHDTULYHEBWDAV-CYBMUJFWSA-N 2 2 294.424 0.848 20 0 CCADLP CN(CCC[NH3+])C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000563570104 291238265 /nfs/dbraw/zinc/23/82/65/291238265.db2.gz PBKQCUOFTRYLIC-UHFFFAOYSA-N 2 2 272.393 0.087 20 0 CCADLP CN(CCC[NH3+])C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000563570104 291238266 /nfs/dbraw/zinc/23/82/66/291238266.db2.gz PBKQCUOFTRYLIC-UHFFFAOYSA-N 2 2 272.393 0.087 20 0 CCADLP CCn1nccc1/C=C/C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000493599257 238233788 /nfs/dbraw/zinc/23/37/88/238233788.db2.gz ROBCDHIFQLXZMG-IHVVCDCBSA-N 2 2 277.372 0.018 20 0 CCADLP CCn1nccc1/C=C/C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000493599257 238233807 /nfs/dbraw/zinc/23/38/07/238233807.db2.gz ROBCDHIFQLXZMG-IHVVCDCBSA-N 2 2 277.372 0.018 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H](C2CC2)C2CCC2)[C@H](C[NH3+])C1 ZINC000563606943 291241271 /nfs/dbraw/zinc/24/12/71/291241271.db2.gz YWRCFVDWOACFRU-ZIAGYGMSSA-N 2 2 280.416 0.849 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H](C2CC2)C2CCC2)[C@H](C[NH3+])C1 ZINC000563606943 291241273 /nfs/dbraw/zinc/24/12/73/291241273.db2.gz YWRCFVDWOACFRU-ZIAGYGMSSA-N 2 2 280.416 0.849 20 0 CCADLP CNS(=O)(=O)CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000621258720 366684320 /nfs/dbraw/zinc/68/43/20/366684320.db2.gz WMIKBRKJBZQJFN-ZDUSSCGKSA-N 2 2 289.445 0.486 20 0 CCADLP CNS(=O)(=O)CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000621258720 366684323 /nfs/dbraw/zinc/68/43/23/366684323.db2.gz WMIKBRKJBZQJFN-ZDUSSCGKSA-N 2 2 289.445 0.486 20 0 CCADLP CCNS(=O)(=O)[C@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000179662907 189210858 /nfs/dbraw/zinc/21/08/58/189210858.db2.gz INOWORKZYZAQDU-LBPRGKRZSA-N 2 2 286.401 0.287 20 0 CCADLP CCNS(=O)(=O)[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000179662907 189210859 /nfs/dbraw/zinc/21/08/59/189210859.db2.gz INOWORKZYZAQDU-LBPRGKRZSA-N 2 2 286.401 0.287 20 0 CCADLP Cc1cc(NC[C@H]2C[NH2+]CCN2C)nc(C2CC2)[nH+]1 ZINC000563663677 291246060 /nfs/dbraw/zinc/24/60/60/291246060.db2.gz GBYWAORBXYTNNZ-GFCCVEGCSA-N 2 2 261.373 0.400 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](Cc2c[nH+]c(C)n2C)C[C@H]1C ZINC000597153081 361015742 /nfs/dbraw/zinc/01/57/42/361015742.db2.gz ANMFHEAJYXEXFK-BXKDBHETSA-N 2 2 251.330 0.969 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](Cc2c[nH+]c(C)n2C)C[C@H]1C ZINC000597153081 361015744 /nfs/dbraw/zinc/01/57/44/361015744.db2.gz ANMFHEAJYXEXFK-BXKDBHETSA-N 2 2 251.330 0.969 20 0 CCADLP COC(=O)[C@H]1CN(Cc2c[nH+]c(C)n2C)CC[N@H+](C)C1 ZINC000597151199 361015877 /nfs/dbraw/zinc/01/58/77/361015877.db2.gz JYNZKGKSICQQGP-GFCCVEGCSA-N 2 2 280.372 0.265 20 0 CCADLP COC(=O)[C@H]1CN(Cc2c[nH+]c(C)n2C)CC[N@@H+](C)C1 ZINC000597151199 361015879 /nfs/dbraw/zinc/01/58/79/361015879.db2.gz JYNZKGKSICQQGP-GFCCVEGCSA-N 2 2 280.372 0.265 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C[NH+](C)C ZINC000563812580 291252225 /nfs/dbraw/zinc/25/22/25/291252225.db2.gz AGVFIZRDESZRFW-RYUDHWBXSA-N 2 2 264.373 0.759 20 0 CCADLP C[NH+](C)C1(CS(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000631798453 370675782 /nfs/dbraw/zinc/67/57/82/370675782.db2.gz SWYWZWSSCOATIS-LLVKDONJSA-N 2 2 287.429 0.237 20 0 CCADLP C[NH+](C)C1(CS(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000631798453 370675786 /nfs/dbraw/zinc/67/57/86/370675786.db2.gz SWYWZWSSCOATIS-LLVKDONJSA-N 2 2 287.429 0.237 20 0 CCADLP C[N@H+](CC(=O)Nc1ccccn1)CC(C)(C)C[NH3+] ZINC000631821515 370686417 /nfs/dbraw/zinc/68/64/17/370686417.db2.gz AEGGJMBVBQDHOV-UHFFFAOYSA-N 2 2 250.346 0.937 20 0 CCADLP C[N@@H+](CC(=O)Nc1ccccn1)CC(C)(C)C[NH3+] ZINC000631821515 370686424 /nfs/dbraw/zinc/68/64/24/370686424.db2.gz AEGGJMBVBQDHOV-UHFFFAOYSA-N 2 2 250.346 0.937 20 0 CCADLP C[NH2+]C1CC[NH+]([C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000631821519 370686809 /nfs/dbraw/zinc/68/68/09/370686809.db2.gz AHQWNZAHARXMDS-CYBMUJFWSA-N 2 2 251.374 0.824 20 0 CCADLP CCCn1nccc1NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000631823157 370689006 /nfs/dbraw/zinc/68/90/06/370689006.db2.gz XNGPHNXUICPTMA-NWDGAFQWSA-N 2 2 279.388 0.901 20 0 CCADLP CCCn1nccc1NC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000631823157 370689013 /nfs/dbraw/zinc/68/90/13/370689013.db2.gz XNGPHNXUICPTMA-NWDGAFQWSA-N 2 2 279.388 0.901 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC(C)(C)CC[C@@H]1CO ZINC000621381108 366757969 /nfs/dbraw/zinc/75/79/69/366757969.db2.gz LLEYUKIHMXGSAX-OLZOCXBDSA-N 2 2 258.406 0.782 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC(C)(C)CC[C@@H]1CO ZINC000621381108 366757973 /nfs/dbraw/zinc/75/79/73/366757973.db2.gz LLEYUKIHMXGSAX-OLZOCXBDSA-N 2 2 258.406 0.782 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC(C)(C)CC[C@@H]1CO ZINC000621381108 366757979 /nfs/dbraw/zinc/75/79/79/366757979.db2.gz LLEYUKIHMXGSAX-OLZOCXBDSA-N 2 2 258.406 0.782 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC(C)(C)CC[C@@H]1CO ZINC000621381108 366757984 /nfs/dbraw/zinc/75/79/84/366757984.db2.gz LLEYUKIHMXGSAX-OLZOCXBDSA-N 2 2 258.406 0.782 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3nccnc3C)C2)CC1 ZINC000598670050 361477962 /nfs/dbraw/zinc/47/79/62/361477962.db2.gz ITHVLNLMUIBFTK-HNNXBMFYSA-N 2 2 289.427 0.997 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3nccnc3C)C2)CC1 ZINC000598670050 361477974 /nfs/dbraw/zinc/47/79/74/361477974.db2.gz ITHVLNLMUIBFTK-HNNXBMFYSA-N 2 2 289.427 0.997 20 0 CCADLP CCOC(=O)C1CCC([NH2+]CC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000599094685 361573377 /nfs/dbraw/zinc/57/33/77/361573377.db2.gz XSNVSRKIXQIVKR-RUXDESIVSA-N 2 2 284.400 0.765 20 0 CCADLP CCOC(=O)C1CCC([NH2+]CC[N@H+]2CC[C@H](O)C2)CC1 ZINC000599094685 361573383 /nfs/dbraw/zinc/57/33/83/361573383.db2.gz XSNVSRKIXQIVKR-RUXDESIVSA-N 2 2 284.400 0.765 20 0 CCADLP C[NH+](C)C[C@](C)(O)CNc1nc(N)c2ccccc2[nH+]1 ZINC000301883851 201247738 /nfs/dbraw/zinc/24/77/38/201247738.db2.gz JETMIYVBTKSUAJ-CQSZACIVSA-N 2 2 275.356 0.937 20 0 CCADLP OCCC[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC000564453786 291280724 /nfs/dbraw/zinc/28/07/24/291280724.db2.gz ROUPSABNEDNJLG-MNOVXSKESA-N 2 2 284.322 0.736 20 0 CCADLP OCCC[N@H+]1CCC[C@@H]([NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC000564453786 291280725 /nfs/dbraw/zinc/28/07/25/291280725.db2.gz ROUPSABNEDNJLG-MNOVXSKESA-N 2 2 284.322 0.736 20 0 CCADLP CC(C)COC[C@H](O)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000564792676 291300316 /nfs/dbraw/zinc/30/03/16/291300316.db2.gz OYQGVSXMSVFSEL-VXGBXAGGSA-N 2 2 267.373 0.890 20 0 CCADLP CC(C)COC[C@H](O)C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000564792676 291300320 /nfs/dbraw/zinc/30/03/20/291300320.db2.gz OYQGVSXMSVFSEL-VXGBXAGGSA-N 2 2 267.373 0.890 20 0 CCADLP O=C(N[C@H]1CC12CC[NH2+]CC2)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000612982404 364067670 /nfs/dbraw/zinc/06/76/70/364067670.db2.gz JJHIMZIBUNHGKO-NEPJUHHUSA-N 2 2 289.383 0.639 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000612984191 364069155 /nfs/dbraw/zinc/06/91/55/364069155.db2.gz AFZWUBVRFCIOIT-GFCCVEGCSA-N 2 2 277.372 0.404 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC000631861737 370721954 /nfs/dbraw/zinc/72/19/54/370721954.db2.gz HZRCUOANPIHKIE-HUUCEWRRSA-N 3 2 268.449 0.824 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC000631861737 370721960 /nfs/dbraw/zinc/72/19/60/370721960.db2.gz HZRCUOANPIHKIE-HUUCEWRRSA-N 3 2 268.449 0.824 20 0 CCADLP Cn1c[nH+]cc1CCC[NH+]1CCC([NH2+]CCO)CC1 ZINC000631861584 370722387 /nfs/dbraw/zinc/72/23/87/370722387.db2.gz DZUQEAGRWDLXHW-UHFFFAOYSA-N 3 2 266.389 0.399 20 0 CCADLP Cn1c[nH+]cc1CCCN1CCC([NH2+]CCO)CC1 ZINC000631861584 370722393 /nfs/dbraw/zinc/72/23/93/370722393.db2.gz DZUQEAGRWDLXHW-UHFFFAOYSA-N 2 2 266.389 0.399 20 0 CCADLP C[C@@H](C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2)CS(C)(=O)=O ZINC000631867862 370726891 /nfs/dbraw/zinc/72/68/91/370726891.db2.gz MSISVMSOGMARPG-TUAOUCFPSA-N 2 2 260.403 0.399 20 0 CCADLP O=C1[C@@H]([NH2+][C@]23CCC[C@@H]2C[NH2+]C3)CCN1CC(F)(F)F ZINC000631867537 370727473 /nfs/dbraw/zinc/72/74/73/370727473.db2.gz CZZMQKFZJZLASS-SCVCMEIPSA-N 2 2 291.317 0.881 20 0 CCADLP O=C(C[NH2+][C@]12CCC[C@@H]1C[NH2+]C2)NC1CCCC1 ZINC000631870380 370729407 /nfs/dbraw/zinc/72/94/07/370729407.db2.gz MJMWOIRTDLXMBB-RISCZKNCSA-N 2 2 251.374 0.777 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)C[C@@H](C)O1 ZINC000631870535 370729644 /nfs/dbraw/zinc/72/96/44/370729644.db2.gz QPRZAYHHWAKOLE-BHPKHCPMSA-N 2 2 281.400 0.354 20 0 CCADLP COCCCNC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631890868 370739279 /nfs/dbraw/zinc/73/92/79/370739279.db2.gz TVZQKSUDPXEHQW-STQMWFEESA-N 2 2 269.389 0.213 20 0 CCADLP COCCCNC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631890868 370739286 /nfs/dbraw/zinc/73/92/86/370739286.db2.gz TVZQKSUDPXEHQW-STQMWFEESA-N 2 2 269.389 0.213 20 0 CCADLP [NH3+][C@H](C(=O)NCC[NH+]1CCCCC1)c1cscn1 ZINC000564911115 291314455 /nfs/dbraw/zinc/31/44/55/291314455.db2.gz TXKSABCHTOKYOT-NSHDSACASA-N 2 2 268.386 0.745 20 0 CCADLP Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000564944106 291322546 /nfs/dbraw/zinc/32/25/46/291322546.db2.gz JBTANQKXLWDJRL-ZWNOBZJWSA-N 2 2 293.415 0.242 20 0 CCADLP Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000564944106 291322548 /nfs/dbraw/zinc/32/25/48/291322548.db2.gz JBTANQKXLWDJRL-ZWNOBZJWSA-N 2 2 293.415 0.242 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000614702336 364702778 /nfs/dbraw/zinc/70/27/78/364702778.db2.gz IDVQTAXAXGBZMZ-CYZMBNFOSA-N 2 2 285.351 0.851 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000335637757 212353123 /nfs/dbraw/zinc/35/31/23/212353123.db2.gz IAUWBQXJUDCXAF-MNOVXSKESA-N 2 2 265.361 0.795 20 0 CCADLP C[C@]1(F)C[NH2+]CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)C1 ZINC000564957504 291326171 /nfs/dbraw/zinc/32/61/71/291326171.db2.gz RCTXWKQYOWRDAN-YGRLFVJLSA-N 2 2 295.362 0.260 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000615303982 364913881 /nfs/dbraw/zinc/91/38/81/364913881.db2.gz JVQNMDJNLZPEJG-CMPLNLGQSA-N 2 2 250.346 0.812 20 0 CCADLP Cc1cc[nH+]c(N2CC[NH+](C[C@H]3CN(C)C(=O)O3)CC2)c1 ZINC000496441019 240070677 /nfs/dbraw/zinc/07/06/77/240070677.db2.gz ZTXUGEPRRBMUAK-CYBMUJFWSA-N 2 2 290.367 0.963 20 0 CCADLP C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)Cn1cc[nH+]c1 ZINC000615262598 364898362 /nfs/dbraw/zinc/89/83/62/364898362.db2.gz GRHHJVXATBPKMT-STQMWFEESA-N 2 2 278.356 0.205 20 0 CCADLP C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)Cn1cc[nH+]c1 ZINC000615262598 364898365 /nfs/dbraw/zinc/89/83/65/364898365.db2.gz GRHHJVXATBPKMT-STQMWFEESA-N 2 2 278.356 0.205 20 0 CCADLP CC(C)COC(=O)N1CC[NH+](CCOCC[NH3+])CC1 ZINC000496540565 240163022 /nfs/dbraw/zinc/16/30/22/240163022.db2.gz UCCGMHFHQAWMRZ-UHFFFAOYSA-N 2 2 273.377 0.372 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000565164622 291350086 /nfs/dbraw/zinc/35/00/86/291350086.db2.gz NGUYYCDEPXDHJD-HZSPNIEDSA-N 2 2 272.389 0.179 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000565164622 291350089 /nfs/dbraw/zinc/35/00/89/291350089.db2.gz NGUYYCDEPXDHJD-HZSPNIEDSA-N 2 2 272.389 0.179 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000565164622 291350090 /nfs/dbraw/zinc/35/00/90/291350090.db2.gz NGUYYCDEPXDHJD-HZSPNIEDSA-N 2 2 272.389 0.179 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000565164622 291350092 /nfs/dbraw/zinc/35/00/92/291350092.db2.gz NGUYYCDEPXDHJD-HZSPNIEDSA-N 2 2 272.389 0.179 20 0 CCADLP C[C@@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)[NH+](C)C ZINC000616486944 365338895 /nfs/dbraw/zinc/33/88/95/365338895.db2.gz KSEUYKSLUAOHGI-NSHDSACASA-N 2 2 264.373 0.828 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)N[C@H]1CC[NH2+]C1 ZINC000565249825 291366858 /nfs/dbraw/zinc/36/68/58/291366858.db2.gz JMTCXSZMQKNBRB-ZJUUUORDSA-N 2 2 251.334 0.625 20 0 CCADLP C[NH+](C)C1CC(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000622009251 366978816 /nfs/dbraw/zinc/97/88/16/366978816.db2.gz OOOVPTSPUJVMFU-VOMCLLRMSA-N 2 2 262.357 0.654 20 0 CCADLP C[C@H](CC(=O)NCCC[NH+]1CCC(O)CC1)n1cc[nH+]c1 ZINC000565307022 291370982 /nfs/dbraw/zinc/37/09/82/291370982.db2.gz GQYLTOPUUVCCEX-CYBMUJFWSA-N 2 2 294.399 0.797 20 0 CCADLP CN(C)[C@H](C(=O)N(C)CC[NH+]1CCCC1)c1c[nH+]cn1C ZINC000622353374 367128064 /nfs/dbraw/zinc/12/80/64/367128064.db2.gz LITTVGBLRRRPIA-AWEZNQCLSA-N 2 2 293.415 0.577 20 0 CCADLP C[N@H+]1CC=C(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000335553228 212256501 /nfs/dbraw/zinc/25/65/01/212256501.db2.gz KBFGDFUNSYMJLA-CYBMUJFWSA-N 2 2 274.368 0.824 20 0 CCADLP C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000335553228 212256503 /nfs/dbraw/zinc/25/65/03/212256503.db2.gz KBFGDFUNSYMJLA-CYBMUJFWSA-N 2 2 274.368 0.824 20 0 CCADLP CC(C)[C@H](O)CC[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000566232905 291380423 /nfs/dbraw/zinc/38/04/23/291380423.db2.gz FAVUEVADGORDHH-LXTVHRRPSA-N 2 2 288.432 0.453 20 0 CCADLP CC(C)[C@H](O)CC[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000566232905 291380426 /nfs/dbraw/zinc/38/04/26/291380426.db2.gz FAVUEVADGORDHH-LXTVHRRPSA-N 2 2 288.432 0.453 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC2(C1)CCCOC2 ZINC000656152573 412752536 /nfs/dbraw/zinc/75/25/36/412752536.db2.gz WIWXWDBIHZYERJ-CYBMUJFWSA-N 2 2 272.389 0.038 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC2(C1)CCCOC2 ZINC000656152573 412752538 /nfs/dbraw/zinc/75/25/38/412752538.db2.gz WIWXWDBIHZYERJ-CYBMUJFWSA-N 2 2 272.389 0.038 20 0 CCADLP CC1(C)CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[NH2+]1 ZINC000623179128 367467663 /nfs/dbraw/zinc/46/76/63/367467663.db2.gz YFQQQJRKCVUWRW-LLVKDONJSA-N 2 2 262.357 0.656 20 0 CCADLP CCO[C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C[NH3+] ZINC000623179999 367467862 /nfs/dbraw/zinc/46/78/62/367467862.db2.gz NOYWBYYCTIAHIL-JHJVBQTASA-N 2 2 292.383 0.268 20 0 CCADLP COC[C@@]1(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCC[NH2+]1 ZINC000623178371 367466161 /nfs/dbraw/zinc/46/61/61/367466161.db2.gz NXSWGFROGKSTSP-DOMZBBRYSA-N 2 2 292.383 0.330 20 0 CCADLP C[C@H](C(=O)N[C@@H]1CCn2c[nH+]cc2C1)[NH+]1CCSCC1 ZINC000623308012 367528119 /nfs/dbraw/zinc/52/81/19/367528119.db2.gz SNMVMGJBSDGGEK-VXGBXAGGSA-N 2 2 294.424 0.751 20 0 CCADLP C[C@H](CS(C)(=O)=O)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623417715 367559920 /nfs/dbraw/zinc/55/99/20/367559920.db2.gz LVFQOMSTFSCWCI-GHMZBOCLSA-N 2 2 262.419 0.882 20 0 CCADLP C[C@H](CS(C)(=O)=O)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623417715 367559923 /nfs/dbraw/zinc/55/99/23/367559923.db2.gz LVFQOMSTFSCWCI-GHMZBOCLSA-N 2 2 262.419 0.882 20 0 CCADLP C[NH+]1CCC(CC(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC1 ZINC000623262116 367500790 /nfs/dbraw/zinc/50/07/90/367500790.db2.gz OQGAUYOTFLRMPT-GFCCVEGCSA-N 2 2 262.357 0.656 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccncc1 ZINC000623617989 367604238 /nfs/dbraw/zinc/60/42/38/367604238.db2.gz ZHTYZNPNQVJNPU-ZDUSSCGKSA-N 2 2 262.357 0.511 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccncc1 ZINC000623617989 367604245 /nfs/dbraw/zinc/60/42/45/367604245.db2.gz ZHTYZNPNQVJNPU-ZDUSSCGKSA-N 2 2 262.357 0.511 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cncs1 ZINC000623619119 367606818 /nfs/dbraw/zinc/60/68/18/367606818.db2.gz SOFUVSAZJOQCTJ-NSHDSACASA-N 2 2 268.386 0.573 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cncs1 ZINC000623619119 367606822 /nfs/dbraw/zinc/60/68/22/367606822.db2.gz SOFUVSAZJOQCTJ-NSHDSACASA-N 2 2 268.386 0.573 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)[C@H](C)O1 ZINC000623619333 367607025 /nfs/dbraw/zinc/60/70/25/367607025.db2.gz BQGHBHOLWFTQPU-XQHKEYJVSA-N 2 2 269.389 0.482 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)[C@H](C)O1 ZINC000623619333 367607032 /nfs/dbraw/zinc/60/70/32/367607032.db2.gz BQGHBHOLWFTQPU-XQHKEYJVSA-N 2 2 269.389 0.482 20 0 CCADLP CCC[N@H+](CC)CCNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000623731900 367639664 /nfs/dbraw/zinc/63/96/64/367639664.db2.gz BMCLPYWSTYBJED-CYBMUJFWSA-N 2 2 286.420 0.348 20 0 CCADLP CCC[N@@H+](CC)CCNC(=O)NC[C@@H]1COCC[NH+]1C ZINC000623731900 367639670 /nfs/dbraw/zinc/63/96/70/367639670.db2.gz BMCLPYWSTYBJED-CYBMUJFWSA-N 2 2 286.420 0.348 20 0 CCADLP CCC[NH+](CC)CCNC(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000623731900 367639674 /nfs/dbraw/zinc/63/96/74/367639674.db2.gz BMCLPYWSTYBJED-CYBMUJFWSA-N 2 2 286.420 0.348 20 0 CCADLP CCC[NH+](CC)CCNC(=O)NC[C@@H]1COCC[N@H+]1C ZINC000623731900 367639678 /nfs/dbraw/zinc/63/96/78/367639678.db2.gz BMCLPYWSTYBJED-CYBMUJFWSA-N 2 2 286.420 0.348 20 0 CCADLP CN(C)c1ccccc1C[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000623837057 367673417 /nfs/dbraw/zinc/67/34/17/367673417.db2.gz WGHIGMWPPPXQGW-AWEZNQCLSA-N 2 2 263.385 0.909 20 0 CCADLP CN(C)c1ccccc1C[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000623837057 367673425 /nfs/dbraw/zinc/67/34/25/367673425.db2.gz WGHIGMWPPPXQGW-AWEZNQCLSA-N 2 2 263.385 0.909 20 0 CCADLP COCCOc1ccc(C[NH2+]CC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000623836791 367673521 /nfs/dbraw/zinc/67/35/21/367673521.db2.gz JVSSLJOYNQKOFI-HNNXBMFYSA-N 2 2 294.395 0.868 20 0 CCADLP COCCOc1ccc(C[NH2+]CC[N@H+]2CC[C@H](O)C2)cc1 ZINC000623836791 367673527 /nfs/dbraw/zinc/67/35/27/367673527.db2.gz JVSSLJOYNQKOFI-HNNXBMFYSA-N 2 2 294.395 0.868 20 0 CCADLP Nc1nc(Nc2ccc(NC3CCCC3)[nH+]c2)nc(N)[nH+]1 ZINC000623928344 367698119 /nfs/dbraw/zinc/69/81/19/367698119.db2.gz MOFFXJZGANZYJU-UHFFFAOYSA-N 2 2 286.343 0.612 20 0 CCADLP CCC[NH+]1CCC([NH2+][C@H](CO)c2ccnn2C)CC1 ZINC000624017806 367726213 /nfs/dbraw/zinc/72/62/13/367726213.db2.gz FPGWGEQWKREKER-CYBMUJFWSA-N 2 2 266.389 0.918 20 0 CCADLP Nc1nc(N)[nH+]c(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000624055646 367739155 /nfs/dbraw/zinc/73/91/55/367739155.db2.gz KZBAUXSGJAXYRI-KOLCDFICSA-N 2 2 289.387 0.150 20 0 CCADLP Nc1nc(N)[nH+]c(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000624055646 367739157 /nfs/dbraw/zinc/73/91/57/367739157.db2.gz KZBAUXSGJAXYRI-KOLCDFICSA-N 2 2 289.387 0.150 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)NC[C@H]1COCC[NH+]1C)C2 ZINC000624164946 367771752 /nfs/dbraw/zinc/77/17/52/367771752.db2.gz QOZUSRCNUQYQSD-GSPSYOTPSA-N 2 2 296.415 0.241 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)NC[C@H]1COCC[NH+]1C)C2 ZINC000624164946 367771756 /nfs/dbraw/zinc/77/17/56/367771756.db2.gz QOZUSRCNUQYQSD-GSPSYOTPSA-N 2 2 296.415 0.241 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)NC[C@H]1COCC[N@@H+]1C)C2 ZINC000624164946 367771760 /nfs/dbraw/zinc/77/17/60/367771760.db2.gz QOZUSRCNUQYQSD-GSPSYOTPSA-N 2 2 296.415 0.241 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)NC[C@H]1COCC[N@H+]1C)C2 ZINC000624164946 367771764 /nfs/dbraw/zinc/77/17/64/367771764.db2.gz QOZUSRCNUQYQSD-GSPSYOTPSA-N 2 2 296.415 0.241 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624122356 367759873 /nfs/dbraw/zinc/75/98/73/367759873.db2.gz OYNRGQHTIFLYTB-RYUDHWBXSA-N 2 2 262.419 0.741 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624122356 367759875 /nfs/dbraw/zinc/75/98/75/367759875.db2.gz OYNRGQHTIFLYTB-RYUDHWBXSA-N 2 2 262.419 0.741 20 0 CCADLP C[C@H](CS(C)(=O)=O)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000624122354 367759903 /nfs/dbraw/zinc/75/99/03/367759903.db2.gz OYNRGQHTIFLYTB-NEPJUHHUSA-N 2 2 262.419 0.741 20 0 CCADLP C[C@H](CS(C)(=O)=O)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624122354 367759907 /nfs/dbraw/zinc/75/99/07/367759907.db2.gz OYNRGQHTIFLYTB-NEPJUHHUSA-N 2 2 262.419 0.741 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000624137159 367763152 /nfs/dbraw/zinc/76/31/52/367763152.db2.gz DUQUTYAJNKLIJE-LOWDOPEQSA-N 2 2 289.445 0.387 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000624137159 367763157 /nfs/dbraw/zinc/76/31/57/367763157.db2.gz DUQUTYAJNKLIJE-LOWDOPEQSA-N 2 2 289.445 0.387 20 0 CCADLP CN1CCOC[C@@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000624173260 367774840 /nfs/dbraw/zinc/77/48/40/367774840.db2.gz BTVICQOOTVMPCP-HNNXBMFYSA-N 2 2 290.411 0.971 20 0 CCADLP C[NH+](C)CCCS(=O)(=O)NCc1ccn2cc[nH+]c2c1 ZINC000632107032 370872580 /nfs/dbraw/zinc/87/25/80/370872580.db2.gz UMIUIGGBNKFNAE-UHFFFAOYSA-N 2 2 296.396 0.705 20 0 CCADLP O[C@@H]1COCC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000624236956 367801249 /nfs/dbraw/zinc/80/12/49/367801249.db2.gz NGCROFWBJZOKSQ-ZIAGYGMSSA-N 2 2 277.368 0.790 20 0 CCADLP C[C@@H]1CN(c2cc(-n3cc[nH+]c3)ncn2)C[C@H](C)[NH2+]1 ZINC000624406739 367878740 /nfs/dbraw/zinc/87/87/40/367878740.db2.gz KLDNPRYUGOGXAL-PHIMTYICSA-N 2 2 258.329 0.849 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000624334659 367836092 /nfs/dbraw/zinc/83/60/92/367836092.db2.gz FCRVDUHTQCLBQB-UBHSHLNASA-N 2 2 253.390 0.125 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCN1CC[C@H](O)C1 ZINC000624334659 367836095 /nfs/dbraw/zinc/83/60/95/367836095.db2.gz FCRVDUHTQCLBQB-UBHSHLNASA-N 2 2 253.390 0.125 20 0 CCADLP Cn1c2ccccc2[nH+]c1NC[C@H]1COCC[N@@H+]1C ZINC000624621200 367932872 /nfs/dbraw/zinc/93/28/72/367932872.db2.gz WRWCAVXXGUNOBK-NSHDSACASA-N 2 2 260.341 0.738 20 0 CCADLP Cn1c2ccccc2[nH+]c1NC[C@H]1COCC[N@H+]1C ZINC000624621200 367932877 /nfs/dbraw/zinc/93/28/77/367932877.db2.gz WRWCAVXXGUNOBK-NSHDSACASA-N 2 2 260.341 0.738 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656200115 412763796 /nfs/dbraw/zinc/76/37/96/412763796.db2.gz JVJTZPNJDOJTPH-LEOABGAYSA-N 2 2 299.459 0.841 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H](O)CC1(O)CCC1 ZINC000625273868 368127853 /nfs/dbraw/zinc/12/78/53/368127853.db2.gz QTDWOTGYLLOIJV-ZDUSSCGKSA-N 2 2 267.373 0.871 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H](O)CC1(O)CCC1 ZINC000625273868 368127858 /nfs/dbraw/zinc/12/78/58/368127858.db2.gz QTDWOTGYLLOIJV-ZDUSSCGKSA-N 2 2 267.373 0.871 20 0 CCADLP O=C1NCC[C@@H]1CC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625544757 368238251 /nfs/dbraw/zinc/23/82/51/368238251.db2.gz AMMRKMJLTGIUQE-CYBMUJFWSA-N 2 2 281.400 0.309 20 0 CCADLP CCOC[C@H](O)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625551981 368242362 /nfs/dbraw/zinc/24/23/62/368242362.db2.gz IIXNBFBXSGCCEW-CQSZACIVSA-N 2 2 272.389 0.180 20 0 CCADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN(c2nccnn2)CC1 ZINC000625640984 368281444 /nfs/dbraw/zinc/28/14/44/368281444.db2.gz XAHDFTMQHFJPDS-AWEZNQCLSA-N 2 2 290.415 0.868 20 0 CCADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN(c2nccnn2)CC1 ZINC000625640984 368281448 /nfs/dbraw/zinc/28/14/48/368281448.db2.gz XAHDFTMQHFJPDS-AWEZNQCLSA-N 2 2 290.415 0.868 20 0 CCADLP C[NH2+]CCOCCNC(=O)Nc1cc[nH+]cc1C ZINC000625874200 368354316 /nfs/dbraw/zinc/35/43/16/368354316.db2.gz XSLQQEBVCUYZEQ-UHFFFAOYSA-N 2 2 252.318 0.169 20 0 CCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335497332 212176565 /nfs/dbraw/zinc/17/65/65/212176565.db2.gz PSGZYGWQVQUGOI-OCCSQVGLSA-N 2 2 276.384 0.998 20 0 CCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335497332 212176568 /nfs/dbraw/zinc/17/65/68/212176568.db2.gz PSGZYGWQVQUGOI-OCCSQVGLSA-N 2 2 276.384 0.998 20 0 CCADLP COC[C@@]1(C)C[N@H+](CCc2c[nH+]cn2C)CCO1 ZINC000626177156 368478244 /nfs/dbraw/zinc/47/82/44/368478244.db2.gz GXNLEHJUHOTXNF-CYBMUJFWSA-N 2 2 253.346 0.700 20 0 CCADLP COC[C@@]1(C)C[N@@H+](CCc2c[nH+]cn2C)CCO1 ZINC000626177156 368478250 /nfs/dbraw/zinc/47/82/50/368478250.db2.gz GXNLEHJUHOTXNF-CYBMUJFWSA-N 2 2 253.346 0.700 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)NCc2[nH+]ccn2C)C[NH2+]1 ZINC000626969514 368702816 /nfs/dbraw/zinc/70/28/16/368702816.db2.gz XNEDGAQQBCFPKM-UWVGGRQHSA-N 2 2 251.334 0.360 20 0 CCADLP CCN(CC[NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000626979153 368709959 /nfs/dbraw/zinc/70/99/59/368709959.db2.gz RGZVADPEEWOXFW-CYBMUJFWSA-N 3 2 297.447 0.145 20 0 CCADLP CCN(CC[NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000626979153 368709963 /nfs/dbraw/zinc/70/99/63/368709963.db2.gz RGZVADPEEWOXFW-CYBMUJFWSA-N 3 2 297.447 0.145 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)N(C)CCOCC[NH3+] ZINC000626984379 368713390 /nfs/dbraw/zinc/71/33/90/368713390.db2.gz GAHCMMPAISIKLH-UHFFFAOYSA-N 2 2 297.403 0.656 20 0 CCADLP Cc1cn2cc(NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)ccc2[nH+]1 ZINC000626914833 368675470 /nfs/dbraw/zinc/67/54/70/368675470.db2.gz YJROHOMXZNWYKP-SNVBAGLBSA-N 2 2 287.323 0.059 20 0 CCADLP CCN(CC[NH3+])C(=O)NCc1cn2ccccc2[nH+]1 ZINC000626923415 368680463 /nfs/dbraw/zinc/68/04/63/368680463.db2.gz NSMFFOUHTUDWLU-UHFFFAOYSA-N 2 2 261.329 0.825 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C[NH2+]1 ZINC000627040621 368750711 /nfs/dbraw/zinc/75/07/11/368750711.db2.gz QQWUPRRDTUZGAN-GMTAPVOTSA-N 2 2 277.372 0.707 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C[NH2+]1 ZINC000627040621 368750717 /nfs/dbraw/zinc/75/07/17/368750717.db2.gz QQWUPRRDTUZGAN-GMTAPVOTSA-N 2 2 277.372 0.707 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C[NH2+]1 ZINC000627040623 368750955 /nfs/dbraw/zinc/75/09/55/368750955.db2.gz QQWUPRRDTUZGAN-OUAUKWLOSA-N 2 2 277.372 0.707 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C[NH2+]1 ZINC000627040623 368750956 /nfs/dbraw/zinc/75/09/56/368750956.db2.gz QQWUPRRDTUZGAN-OUAUKWLOSA-N 2 2 277.372 0.707 20 0 CCADLP C[NH2+]CCOCCN(C)C(=O)NCc1c[nH+]ccc1OC ZINC000627043600 368752981 /nfs/dbraw/zinc/75/29/81/368752981.db2.gz USSPKMFKAQPJBX-UHFFFAOYSA-N 2 2 296.371 0.468 20 0 CCADLP C[NH2+]CCOCCN(C)C(=O)N[C@H]1C[C@@H](C)n2cc[nH+]c21 ZINC000627051368 368757519 /nfs/dbraw/zinc/75/75/19/368757519.db2.gz BOITUOGIKQHKJH-NEPJUHHUSA-N 2 2 295.387 0.766 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000627241571 368905321 /nfs/dbraw/zinc/90/53/21/368905321.db2.gz LXWKAXJWYYUEDD-NWDGAFQWSA-N 2 2 265.361 0.665 20 0 CCADLP Cc1[nH]c(CN2CC[NH+](C(C)(C)C(N)=O)CC2)[nH+]c1C ZINC000628184965 369208096 /nfs/dbraw/zinc/20/80/96/369208096.db2.gz GGANBMBDYXPTKD-UHFFFAOYSA-N 2 2 279.388 0.408 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000567159423 291462446 /nfs/dbraw/zinc/46/24/46/291462446.db2.gz ZBYJUEFXJSYCBR-CBBWQLFWSA-N 2 2 297.443 0.990 20 0 CCADLP C[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)[C@@H]1CCCC[NH2+]1 ZINC000567226890 291466906 /nfs/dbraw/zinc/46/69/06/291466906.db2.gz WNFOZMZNPMKSIW-RYUDHWBXSA-N 2 2 291.461 0.825 20 0 CCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@H]1COCC[N@H+]1C)C2 ZINC000628915511 369454355 /nfs/dbraw/zinc/45/43/55/369454355.db2.gz XBWWSECQCFLMNJ-OCCSQVGLSA-N 2 2 292.383 0.201 20 0 CCADLP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@H]1COCC[N@@H+]1C)C2 ZINC000628915511 369454358 /nfs/dbraw/zinc/45/43/58/369454358.db2.gz XBWWSECQCFLMNJ-OCCSQVGLSA-N 2 2 292.383 0.201 20 0 CCADLP C[C@H](C(N)=O)[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629564537 369709835 /nfs/dbraw/zinc/70/98/35/369709835.db2.gz SNAUFMXMCVZJJD-PRJMDXOYSA-N 2 2 253.268 0.319 20 0 CCADLP C[C@H](C(N)=O)[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629564537 369709838 /nfs/dbraw/zinc/70/98/38/369709838.db2.gz SNAUFMXMCVZJJD-PRJMDXOYSA-N 2 2 253.268 0.319 20 0 CCADLP O[C@H](C[NH2+][C@H]1CCn2cc[nH+]c2C1)C[NH+]1CCCC1 ZINC000629577768 369720777 /nfs/dbraw/zinc/72/07/77/369720777.db2.gz UFXYAKHOZZYPOM-QWHCGFSZSA-N 3 2 264.373 0.244 20 0 CCADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000276474587 193346871 /nfs/dbraw/zinc/34/68/71/193346871.db2.gz QWYAZJDEOJJDMS-OCCSQVGLSA-N 2 2 277.368 0.897 20 0 CCADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000276474587 193346872 /nfs/dbraw/zinc/34/68/72/193346872.db2.gz QWYAZJDEOJJDMS-OCCSQVGLSA-N 2 2 277.368 0.897 20 0 CCADLP OC[C@H](CC(F)F)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629583570 369725887 /nfs/dbraw/zinc/72/58/87/369725887.db2.gz CNPWLFYOTKMDIW-UWVGGRQHSA-N 2 2 252.305 0.049 20 0 CCADLP OC[C@H](CC(F)F)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629583571 369726203 /nfs/dbraw/zinc/72/62/03/369726203.db2.gz CNPWLFYOTKMDIW-VHSXEESVSA-N 2 2 252.305 0.049 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584276 369727743 /nfs/dbraw/zinc/72/77/43/369727743.db2.gz NYFNIFLEIFPEEX-HONMWMINSA-N 2 2 251.374 0.585 20 0 CCADLP C[C@H](C(=O)NC1CC1)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584276 369727748 /nfs/dbraw/zinc/72/77/48/369727748.db2.gz NYFNIFLEIFPEEX-HONMWMINSA-N 2 2 251.374 0.585 20 0 CCADLP C(O[C@H]1CC[NH2+]C1)C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000629591631 369731897 /nfs/dbraw/zinc/73/18/97/369731897.db2.gz LHQJVYUONLQXDA-LSDHHAIUSA-N 3 2 283.416 0.065 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[NH+]1CCCCC1 ZINC000276565224 193382629 /nfs/dbraw/zinc/38/26/29/193382629.db2.gz JORCQWVMAISSDG-UHFFFAOYSA-N 2 2 264.373 0.955 20 0 CCADLP C[NH+]1CCC2(CC1)CN(c1cc(CO)cc[nH+]1)CCO2 ZINC000630095222 369954012 /nfs/dbraw/zinc/95/40/12/369954012.db2.gz WGFNJTJTENBJPO-UHFFFAOYSA-N 2 2 277.368 0.875 20 0 CCADLP C[C@@H]1[NH2+]CC[C@H]1Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000630546325 370161367 /nfs/dbraw/zinc/16/13/67/370161367.db2.gz OYSPEWXHXKLUPS-YNEHKIRRSA-N 2 2 291.399 0.848 20 0 CCADLP C[C@@H](O)[C@H]1CCN(c2cc(NC3CC[NH2+]CC3)[nH+]cn2)C1 ZINC000630552883 370165900 /nfs/dbraw/zinc/16/59/00/370165900.db2.gz MKGPRDTWSGQBKK-NEPJUHHUSA-N 2 2 291.399 0.848 20 0 CCADLP C[C@@H](O)[C@H]1CCN(c2cc(NC3CC[NH2+]CC3)nc[nH+]2)C1 ZINC000630552883 370165904 /nfs/dbraw/zinc/16/59/04/370165904.db2.gz MKGPRDTWSGQBKK-NEPJUHHUSA-N 2 2 291.399 0.848 20 0 CCADLP Cc1nc(NC[C@@H](c2ccccc2)[NH+](C)C)nc(N)[nH+]1 ZINC000631035776 370365661 /nfs/dbraw/zinc/36/56/61/370365661.db2.gz WOPIXNJZBLFCKJ-LBPRGKRZSA-N 2 2 272.356 0.729 20 0 CCADLP Cc1nc(NC[C@@H](c2ccco2)[NH+]2CCCC2)nc(N)[nH+]1 ZINC000631043757 370366565 /nfs/dbraw/zinc/36/65/65/370366565.db2.gz YTACQJAOYXEXAQ-NSHDSACASA-N 2 2 288.355 0.856 20 0 CCADLP C[NH+]1CCN(c2ccc(NCc3ccc(=O)[nH]c3)[nH+]c2)CC1 ZINC000631047916 370368174 /nfs/dbraw/zinc/36/81/74/370368174.db2.gz YPERTTLPAZKIJA-UHFFFAOYSA-N 2 2 299.378 0.968 20 0 CCADLP Cc1nc(NCC[N@@H+](C)C2CCCCC2)nc(N)[nH+]1 ZINC000631074816 370376674 /nfs/dbraw/zinc/37/66/74/370376674.db2.gz KBYZVMGQBBOPIS-UHFFFAOYSA-N 2 2 264.377 0.691 20 0 CCADLP Cc1nc(NCC[N@H+](C)C2CCCCC2)nc(N)[nH+]1 ZINC000631074816 370376678 /nfs/dbraw/zinc/37/66/78/370376678.db2.gz KBYZVMGQBBOPIS-UHFFFAOYSA-N 2 2 264.377 0.691 20 0 CCADLP Cn1nc2c(c1C[NH2+]C[C@](C)(O)C[NH+](C)C)CCCC2 ZINC000631100389 370384425 /nfs/dbraw/zinc/38/44/25/370384425.db2.gz VFNUSCRXWPVIAM-HNNXBMFYSA-N 2 2 280.416 0.701 20 0 CCADLP COCC[N@@H+]1CC[C@H]([NH2+]CC[C@H](O)C(F)F)C1 ZINC000631217538 370426148 /nfs/dbraw/zinc/42/61/48/370426148.db2.gz YJSDTVQJIUVMFR-UWVGGRQHSA-N 2 2 252.305 0.313 20 0 CCADLP COCC[N@H+]1CC[C@H]([NH2+]CC[C@H](O)C(F)F)C1 ZINC000631217538 370426155 /nfs/dbraw/zinc/42/61/55/370426155.db2.gz YJSDTVQJIUVMFR-UWVGGRQHSA-N 2 2 252.305 0.313 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+]2CCN(C)CC2)CC[N@@H+]1C ZINC000631289149 370456980 /nfs/dbraw/zinc/45/69/80/370456980.db2.gz PHLAXZYCJWZIDZ-QLFBSQMISA-N 2 2 296.459 0.469 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+]2CCN(C)CC2)CC[N@H+]1C ZINC000631289149 370456986 /nfs/dbraw/zinc/45/69/86/370456986.db2.gz PHLAXZYCJWZIDZ-QLFBSQMISA-N 2 2 296.459 0.469 20 0 CCADLP Cc1nc(N2CC[N@@H+](C3CC3)C[C@H](C)C2)nc(N)[nH+]1 ZINC000631294354 370461448 /nfs/dbraw/zinc/46/14/48/370461448.db2.gz DTQYAQSQBJMACV-VIFPVBQESA-N 2 2 262.361 0.513 20 0 CCADLP Cc1nc(N2CC[N@H+](C3CC3)C[C@H](C)C2)nc(N)[nH+]1 ZINC000631294354 370461451 /nfs/dbraw/zinc/46/14/51/370461451.db2.gz DTQYAQSQBJMACV-VIFPVBQESA-N 2 2 262.361 0.513 20 0 CCADLP [NH3+][C@H](C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)c1cscn1 ZINC000567669514 291499273 /nfs/dbraw/zinc/49/92/73/291499273.db2.gz UNCDXSXNGSIQHB-SJQPAMGKSA-N 2 2 266.370 0.339 20 0 CCADLP Cn1c[nH+]cc1CC[NH+]1CCN(C(=O)N2CCCC2)CC1 ZINC000656400029 412790312 /nfs/dbraw/zinc/79/03/12/412790312.db2.gz ROONLQKLOZWBTH-UHFFFAOYSA-N 2 2 291.399 0.796 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000633267053 371462856 /nfs/dbraw/zinc/46/28/56/371462856.db2.gz YCXBFYNGGJWMHJ-UHFFFAOYSA-N 2 2 281.360 0.273 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)NCC[N@H+]1CCCOCC1 ZINC000633267053 371462859 /nfs/dbraw/zinc/46/28/59/371462859.db2.gz YCXBFYNGGJWMHJ-UHFFFAOYSA-N 2 2 281.360 0.273 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@H]2CCOC(C)(C)C2)[C@H](C[NH3+])C1 ZINC000633783662 371707449 /nfs/dbraw/zinc/70/74/49/371707449.db2.gz URMLBUHWICEHHO-QWHCGFSZSA-N 2 2 298.431 0.476 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@H]2CCOC(C)(C)C2)[C@H](C[NH3+])C1 ZINC000633783662 371707455 /nfs/dbraw/zinc/70/74/55/371707455.db2.gz URMLBUHWICEHHO-QWHCGFSZSA-N 2 2 298.431 0.476 20 0 CCADLP C[NH+](C)CCCn1cc(CC[NH+]2CCOCC2)nn1 ZINC000656437308 412793287 /nfs/dbraw/zinc/79/32/87/412793287.db2.gz LRYAIXGJKRVNIY-UHFFFAOYSA-N 2 2 267.377 0.105 20 0 CCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CCCCO)c2)CC1 ZINC000634194340 371944901 /nfs/dbraw/zinc/94/49/01/371944901.db2.gz UKFWXLAWOPDECX-UHFFFAOYSA-N 2 2 292.383 0.935 20 0 CCADLP C[NH2+][C@H](C)Cc1noc([C@@]2(COC)CCCC[NH2+]2)n1 ZINC000634557155 372081969 /nfs/dbraw/zinc/08/19/69/372081969.db2.gz OJEBBLFZDGDUBL-MFKMUULPSA-N 2 2 268.361 0.835 20 0 CCADLP C[C@H]1CC[C@H](C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)O1 ZINC000634688471 372132900 /nfs/dbraw/zinc/13/29/00/372132900.db2.gz TZPFWKCRLQDBPI-AHLTXXRQSA-N 2 2 264.373 0.714 20 0 CCADLP C[C@H]1CC[C@H](C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)O1 ZINC000634688471 372132905 /nfs/dbraw/zinc/13/29/05/372132905.db2.gz TZPFWKCRLQDBPI-AHLTXXRQSA-N 2 2 264.373 0.714 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](O)CC2(O)CCOCC2)C1 ZINC000634707663 372152764 /nfs/dbraw/zinc/15/27/64/372152764.db2.gz JSUKNLUXVAICSP-MELADBBJSA-N 2 2 286.416 0.209 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H](O)CC2(O)CCOCC2)C1 ZINC000634707663 372152766 /nfs/dbraw/zinc/15/27/66/372152766.db2.gz JSUKNLUXVAICSP-MELADBBJSA-N 2 2 286.416 0.209 20 0 CCADLP Cc1c[nH+]ccc1CC[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC000634709086 372154070 /nfs/dbraw/zinc/15/40/70/372154070.db2.gz CXEPACPSHWTNQI-OAHLLOKOSA-N 2 2 294.395 0.815 20 0 CCADLP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@H]1CCn3cc[nH+]c3C1)C2 ZINC000634741052 372185959 /nfs/dbraw/zinc/18/59/59/372185959.db2.gz QVNCUNYHNGBZLB-VBNZEHGJSA-N 2 2 288.395 0.904 20 0 CCADLP c1cn(-c2cc(N3CC[C@H]4CC[NH2+][C@H]4C3)ncn2)c[nH+]1 ZINC000634807761 372246957 /nfs/dbraw/zinc/24/69/57/372246957.db2.gz ABYQYLJYTGKARJ-NEPJUHHUSA-N 2 2 270.340 0.851 20 0 CCADLP COc1c(C)[nH+]cnc1N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000634808997 372252369 /nfs/dbraw/zinc/25/23/69/372252369.db2.gz IGFSGWQFAKBRFH-LBPRGKRZSA-N 2 2 277.372 0.278 20 0 CCADLP COc1c(C)[nH+]cnc1N1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000634812141 372256333 /nfs/dbraw/zinc/25/63/33/372256333.db2.gz AYSREHRXLMZYBQ-LLVKDONJSA-N 2 2 289.343 0.295 20 0 CCADLP Cc1cc(N2CC[C@@H]([NH2+]CC34CC(C3)C[NH2+]4)C2=O)n(C)n1 ZINC000634996121 372332217 /nfs/dbraw/zinc/33/22/17/372332217.db2.gz ZUFPFJNUUSBACU-MQYJIDSJSA-N 2 2 289.383 0.175 20 0 CCADLP CCc1c[nH]c(CC(=O)Nc2cnn(CC[NH+](C)C)c2)[nH+]1 ZINC000635463050 372532215 /nfs/dbraw/zinc/53/22/15/372532215.db2.gz BYTJIOOXLAOQRA-UHFFFAOYSA-N 2 2 290.371 0.911 20 0 CCADLP CCc1c[nH]c(CC(=O)N[C@H](C)CC[NH+](C)C)[nH+]1 ZINC000635558420 372626315 /nfs/dbraw/zinc/62/63/15/372626315.db2.gz KARPTIIKCAMQHS-SNVBAGLBSA-N 2 2 252.362 0.971 20 0 CCADLP Cc1nc[nH]c1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000635558671 372628967 /nfs/dbraw/zinc/62/89/67/372628967.db2.gz CMRLUDSQVDVFFA-UHFFFAOYSA-N 2 2 293.415 0.816 20 0 CCADLP Cc1nc[nH]c1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000635558671 372628973 /nfs/dbraw/zinc/62/89/73/372628973.db2.gz CMRLUDSQVDVFFA-UHFFFAOYSA-N 2 2 293.415 0.816 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@H](C)C[NH+]2CCOCC2)[nH+]1 ZINC000635592218 372665195 /nfs/dbraw/zinc/66/51/95/372665195.db2.gz SDOSVCQUHUKAQN-LBPRGKRZSA-N 2 2 294.399 0.599 20 0 CCADLP CCc1c[nH]c(CC(=O)NCC[NH+]2CCC(OC)CC2)[nH+]1 ZINC000635658747 372733941 /nfs/dbraw/zinc/73/39/41/372733941.db2.gz MWRFNEZVCWVCDL-UHFFFAOYSA-N 2 2 294.399 0.742 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000635692105 372770885 /nfs/dbraw/zinc/77/08/85/372770885.db2.gz CQVUECHZDZKOLH-KGLIPLIRSA-N 2 2 281.400 0.404 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000635692105 372770886 /nfs/dbraw/zinc/77/08/86/372770886.db2.gz CQVUECHZDZKOLH-KGLIPLIRSA-N 2 2 281.400 0.404 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000333277051 205176216 /nfs/dbraw/zinc/17/62/16/205176216.db2.gz LQZUWEZHELDHLJ-RQJABVFESA-N 3 2 255.406 0.861 20 0 CCADLP Cc1cc(CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc(C)[nH+]1 ZINC000333282545 205182370 /nfs/dbraw/zinc/18/23/70/205182370.db2.gz MSXPWBAZGNRUBR-ITGUQSILSA-N 2 2 260.341 0.715 20 0 CCADLP O=C(NCC[NH+]1CCSCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000333310898 205208566 /nfs/dbraw/zinc/20/85/66/205208566.db2.gz NZDKCICNRRIVCY-LBPRGKRZSA-N 2 2 294.424 0.611 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000333341272 205233336 /nfs/dbraw/zinc/23/33/36/205233336.db2.gz SWMVVHCNHGKOPX-GFCCVEGCSA-N 2 2 273.340 0.767 20 0 CCADLP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000333394540 205282429 /nfs/dbraw/zinc/28/24/29/205282429.db2.gz PGBCLQMKFSMDAC-OLZOCXBDSA-N 2 2 298.431 0.537 20 0 CCADLP C[C@H](NC(=O)NC[C@@H]1CCC[NH2+]C1)[C@H](C)[NH+]1CCOCC1 ZINC000333396813 205286274 /nfs/dbraw/zinc/28/62/74/205286274.db2.gz PKWCBKJKDWAWMZ-MELADBBJSA-N 2 2 298.431 0.394 20 0 CCADLP [NH3+][C@@H]1CCCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C1 ZINC000333407493 205295171 /nfs/dbraw/zinc/29/51/71/205295171.db2.gz QTMWTMZLUJWUSZ-CHWSQXEVSA-N 2 2 289.383 0.793 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)n1C ZINC000333415792 205301435 /nfs/dbraw/zinc/30/14/35/205301435.db2.gz IAYMIYUUPRULDP-SWLSCSKDSA-N 2 2 294.399 0.914 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[NH+]2CCC1CC2 ZINC000635850012 373001197 /nfs/dbraw/zinc/00/11/97/373001197.db2.gz STHPOUWGZINQMY-VXGBXAGGSA-N 2 2 260.341 0.820 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[NH+]2CCC1CC2 ZINC000635850012 373001206 /nfs/dbraw/zinc/00/12/06/373001206.db2.gz STHPOUWGZINQMY-VXGBXAGGSA-N 2 2 260.341 0.820 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1NCc1n[nH]c(C2CC[NH2+]CC2)n1 ZINC000333463037 205342608 /nfs/dbraw/zinc/34/26/08/205342608.db2.gz GXCNNMBDGRDIJI-CMPLNLGQSA-N 2 2 278.404 0.311 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1NCc1n[nH]c(C2CC[NH2+]CC2)n1 ZINC000333463037 205342612 /nfs/dbraw/zinc/34/26/12/205342612.db2.gz GXCNNMBDGRDIJI-CMPLNLGQSA-N 2 2 278.404 0.311 20 0 CCADLP C[C@H]1CN(C)C[C@H]1[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333463037 205342615 /nfs/dbraw/zinc/34/26/15/205342615.db2.gz GXCNNMBDGRDIJI-CMPLNLGQSA-N 2 2 278.404 0.311 20 0 CCADLP Cc1nc(N)c(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)c[nH+]1 ZINC000635921854 373109668 /nfs/dbraw/zinc/10/96/68/373109668.db2.gz OKRZLXLGCCJHKD-JTQLQIEISA-N 2 2 263.345 0.156 20 0 CCADLP Cc1nc(N)c(CNC(=O)C[C@@H]2CC[N@H+](C)C2)c[nH+]1 ZINC000635921854 373109673 /nfs/dbraw/zinc/10/96/73/373109673.db2.gz OKRZLXLGCCJHKD-JTQLQIEISA-N 2 2 263.345 0.156 20 0 CCADLP C[C@H](CC(=O)NC[C@H](O)C[NH+]1CCCCC1)n1cc[nH+]c1 ZINC000636048096 373292768 /nfs/dbraw/zinc/29/27/68/373292768.db2.gz CAMGPLVXFZBYOP-KGLIPLIRSA-N 2 2 294.399 0.797 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000636099254 373356906 /nfs/dbraw/zinc/35/69/06/373356906.db2.gz QEWXSRWFMDAOLH-NEPJUHHUSA-N 2 2 264.373 0.808 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)C2(C[NH+](C)C)CC2)[C@@H](C)CO1 ZINC000636172006 373428308 /nfs/dbraw/zinc/42/83/08/373428308.db2.gz SGJHVWMWMZILDE-STQMWFEESA-N 2 2 283.416 0.554 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)C2(C[NH+](C)C)CC2)[C@@H](C)CO1 ZINC000636172006 373428319 /nfs/dbraw/zinc/42/83/19/373428319.db2.gz SGJHVWMWMZILDE-STQMWFEESA-N 2 2 283.416 0.554 20 0 CCADLP CN(C[C@H]1C[N@H+](C)CCO1)C(=O)[C@@H]1CC[NH+]1C1CCCC1 ZINC000636305783 373535027 /nfs/dbraw/zinc/53/50/27/373535027.db2.gz AIESEWRTRFJPGF-CABCVRRESA-N 2 2 295.427 0.792 20 0 CCADLP CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)[C@@H]1CC[NH+]1C1CCCC1 ZINC000636305783 373535029 /nfs/dbraw/zinc/53/50/29/373535029.db2.gz AIESEWRTRFJPGF-CABCVRRESA-N 2 2 295.427 0.792 20 0 CCADLP CN(C[C@H]1C[NH+](C)CCO1)C(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000636305783 373535032 /nfs/dbraw/zinc/53/50/32/373535032.db2.gz AIESEWRTRFJPGF-CABCVRRESA-N 2 2 295.427 0.792 20 0 CCADLP CN(C[C@H]1C[NH+](C)CCO1)C(=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000636305783 373535034 /nfs/dbraw/zinc/53/50/34/373535034.db2.gz AIESEWRTRFJPGF-CABCVRRESA-N 2 2 295.427 0.792 20 0 CCADLP COC(=O)c1cc(C[NH2+]C2CC([NH+](C)C)C2)c[nH]1 ZINC000568239617 291572259 /nfs/dbraw/zinc/57/22/59/291572259.db2.gz PUFJGUMFHFUFMO-UHFFFAOYSA-N 2 2 251.330 0.984 20 0 CCADLP C[C@H]1CCC[N@H+](CCNC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000636555206 373639842 /nfs/dbraw/zinc/63/98/42/373639842.db2.gz NHBRGGCOFUJBML-STQMWFEESA-N 2 2 291.399 0.839 20 0 CCADLP C[C@H]1CCC[N@@H+](CCNC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000636555206 373639852 /nfs/dbraw/zinc/63/98/52/373639852.db2.gz NHBRGGCOFUJBML-STQMWFEESA-N 2 2 291.399 0.839 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636812545 373768449 /nfs/dbraw/zinc/76/84/49/373768449.db2.gz CNANGCYCDPYBKE-CHWSQXEVSA-N 2 2 289.383 0.591 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000636812545 373768457 /nfs/dbraw/zinc/76/84/57/373768457.db2.gz CNANGCYCDPYBKE-CHWSQXEVSA-N 2 2 289.383 0.591 20 0 CCADLP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)Cc1[nH+]ccn1C ZINC000568270980 291578460 /nfs/dbraw/zinc/57/84/60/291578460.db2.gz LLZYDMHMQDSHSV-WDEREUQCSA-N 2 2 250.346 0.767 20 0 CCADLP CN(C)S(=O)(=O)CC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000289541215 197395757 /nfs/dbraw/zinc/39/57/57/197395757.db2.gz JSRHQEPPIIQJMI-UHFFFAOYSA-N 2 2 282.369 0.315 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000637126591 373942435 /nfs/dbraw/zinc/94/24/35/373942435.db2.gz HFRKPZRAMJTVLZ-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000637126591 373942441 /nfs/dbraw/zinc/94/24/41/373942441.db2.gz HFRKPZRAMJTVLZ-AWEZNQCLSA-N 2 2 295.427 0.794 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000637283615 374073209 /nfs/dbraw/zinc/07/32/09/374073209.db2.gz WBRUHCUOENSPDJ-RYUDHWBXSA-N 2 2 277.372 0.591 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000637283615 374073213 /nfs/dbraw/zinc/07/32/13/374073213.db2.gz WBRUHCUOENSPDJ-RYUDHWBXSA-N 2 2 277.372 0.591 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[N@H+](C)CCc1c[nH+]cn1C ZINC000289502574 197380102 /nfs/dbraw/zinc/38/01/02/197380102.db2.gz DPXRJQAFUNLBSV-LLVKDONJSA-N 2 2 273.402 0.718 20 0 CCADLP CCS(=O)(=O)C[C@@H](C)[N@@H+](C)CCc1c[nH+]cn1C ZINC000289502574 197380103 /nfs/dbraw/zinc/38/01/03/197380103.db2.gz DPXRJQAFUNLBSV-LLVKDONJSA-N 2 2 273.402 0.718 20 0 CCADLP CC[C@@H](C)[NH+]1CCN(C(=O)NC[C@@H]2COCC[N@@H+]2C)CC1 ZINC000637441693 374160577 /nfs/dbraw/zinc/16/05/77/374160577.db2.gz NFJCUHWHSRSSPJ-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP CC[C@@H](C)[NH+]1CCN(C(=O)NC[C@@H]2COCC[N@H+]2C)CC1 ZINC000637441693 374160583 /nfs/dbraw/zinc/16/05/83/374160583.db2.gz NFJCUHWHSRSSPJ-ZIAGYGMSSA-N 2 2 298.431 0.443 20 0 CCADLP CCN(CCC[NH+](C)C)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637441716 374160610 /nfs/dbraw/zinc/16/06/10/374160610.db2.gz NQMPDHKTFGNACA-CYBMUJFWSA-N 2 2 286.420 0.300 20 0 CCADLP CCN(CCC[NH+](C)C)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637441716 374160617 /nfs/dbraw/zinc/16/06/17/374160617.db2.gz NQMPDHKTFGNACA-CYBMUJFWSA-N 2 2 286.420 0.300 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000637446273 374171298 /nfs/dbraw/zinc/17/12/98/374171298.db2.gz OORXMJBZXADMCY-AWEZNQCLSA-N 2 2 296.415 0.054 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000637446273 374171307 /nfs/dbraw/zinc/17/13/07/374171307.db2.gz OORXMJBZXADMCY-AWEZNQCLSA-N 2 2 296.415 0.054 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)NC[C@@H]2CCC[NH+]2C)[C@@H](C)CO1 ZINC000637532502 374217043 /nfs/dbraw/zinc/21/70/43/374217043.db2.gz FBWXJCTVPCVRGC-IHRRRGAJSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)NC[C@@H]2CCC[NH+]2C)[C@@H](C)CO1 ZINC000637532502 374217049 /nfs/dbraw/zinc/21/70/49/374217049.db2.gz FBWXJCTVPCVRGC-IHRRRGAJSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)NC[C@@H]2CCC[N@@H+]2C)[C@@H](C)CO1 ZINC000637532502 374217058 /nfs/dbraw/zinc/21/70/58/374217058.db2.gz FBWXJCTVPCVRGC-IHRRRGAJSA-N 2 2 298.431 0.489 20 0 CCADLP C[C@H]1C[NH+](CCNC(=O)NC[C@@H]2CCC[N@H+]2C)[C@@H](C)CO1 ZINC000637532502 374217061 /nfs/dbraw/zinc/21/70/61/374217061.db2.gz FBWXJCTVPCVRGC-IHRRRGAJSA-N 2 2 298.431 0.489 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CCC[C@@H](C[NH2+]C)C2)[nH+]1 ZINC000637799768 374325755 /nfs/dbraw/zinc/32/57/55/374325755.db2.gz PYVWYCNGGIFLCM-NSHDSACASA-N 2 2 264.373 0.973 20 0 CCADLP [NH3+]CCCNC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC000637802478 374331488 /nfs/dbraw/zinc/33/14/88/374331488.db2.gz QLPKJGCVRGEECY-QMMMGPOBSA-N 2 2 264.251 0.842 20 0 CCADLP CO[C@H]1C[NH2+][C@](C)(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000638046656 374587651 /nfs/dbraw/zinc/58/76/51/374587651.db2.gz DFINYGJHBKXVCN-YPMHNXCESA-N 2 2 266.345 0.156 20 0 CCADLP CC[NH+]1CCN(C(=O)c2oc(C[NH3+])cc2C)CC1 ZINC000638045943 374587873 /nfs/dbraw/zinc/58/78/73/374587873.db2.gz CFOFBORPBIQKDN-UHFFFAOYSA-N 2 2 251.330 0.824 20 0 CCADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000568533952 291603739 /nfs/dbraw/zinc/60/37/39/291603739.db2.gz ZYVXJKLDCCNHFL-NEPJUHHUSA-N 2 2 250.346 0.733 20 0 CCADLP CCC[N@H+](C)C[C@H]1CCN(Cc2c[nH+]c(N)nc2N)C1 ZINC000638127524 374696941 /nfs/dbraw/zinc/69/69/41/374696941.db2.gz KSPRHNDPGMIXNU-LLVKDONJSA-N 2 2 278.404 0.465 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CCN(Cc2c[nH+]c(N)nc2N)C1 ZINC000638127524 374696944 /nfs/dbraw/zinc/69/69/44/374696944.db2.gz KSPRHNDPGMIXNU-LLVKDONJSA-N 2 2 278.404 0.465 20 0 CCADLP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1c[nH+]c(N)nc1N ZINC000638097485 374659035 /nfs/dbraw/zinc/65/90/35/374659035.db2.gz FDALLLWFQQJKKQ-JQWIXIFHSA-N 2 2 276.388 0.360 20 0 CCADLP C[C@H]1C[N@H+]2CCCC[C@H]2CN1Cc1c[nH+]c(N)nc1N ZINC000638097485 374659041 /nfs/dbraw/zinc/65/90/41/374659041.db2.gz FDALLLWFQQJKKQ-JQWIXIFHSA-N 2 2 276.388 0.360 20 0 CCADLP Cc1cccn2cc(CNC(=O)CN3CC[NH2+]CC3)[nH+]c12 ZINC000638111984 374677910 /nfs/dbraw/zinc/67/79/10/374677910.db2.gz HKTWOMJGWFQCSM-UHFFFAOYSA-N 2 2 287.367 0.164 20 0 CCADLP CC[N@H+](C)C[C@H]1CCN(Cc2c[nH+]c(N)nc2N)C1 ZINC000638135661 374704497 /nfs/dbraw/zinc/70/44/97/374704497.db2.gz VNNPRADSGHETNM-SNVBAGLBSA-N 2 2 264.377 0.075 20 0 CCADLP CC[N@@H+](C)C[C@H]1CCN(Cc2c[nH+]c(N)nc2N)C1 ZINC000638135661 374704501 /nfs/dbraw/zinc/70/45/01/374704501.db2.gz VNNPRADSGHETNM-SNVBAGLBSA-N 2 2 264.377 0.075 20 0 CCADLP Cn1cc(C[NH+]2CCN(C(=O)C3=CC[C@@H]([NH3+])C3)CC2)cn1 ZINC000638139742 374709307 /nfs/dbraw/zinc/70/93/07/374709307.db2.gz GRXYOGSQFUTXFB-CQSZACIVSA-N 2 2 289.383 0.112 20 0 CCADLP CO[C@H](C[NH2+]CCCn1cc[nH+]c1)[C@@H]1CCOC1 ZINC000638285635 374893546 /nfs/dbraw/zinc/89/35/46/374893546.db2.gz JAAAPOZPXCEDAC-CHWSQXEVSA-N 2 2 253.346 0.914 20 0 CCADLP CO[C@H](C[NH2+][C@H](C)Cn1cc[nH+]c1)[C@H]1CCOC1 ZINC000638358570 374955717 /nfs/dbraw/zinc/95/57/17/374955717.db2.gz FUTLSKSGOCCDPQ-FRRDWIJNSA-N 2 2 253.346 0.913 20 0 CCADLP C[C@H](O)C[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000574565242 335029813 /nfs/dbraw/zinc/02/98/13/335029813.db2.gz MENUYNNAOACRRN-AWEZNQCLSA-N 3 2 278.400 0.564 20 0 CCADLP CO[C@H]1C[NH2+][C@](C)(C(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000638403433 375000260 /nfs/dbraw/zinc/00/02/60/375000260.db2.gz TVVOXQDKJKOGHR-PWSUYJOCSA-N 2 2 252.318 0.135 20 0 CCADLP CO[C@H]1C[NH2+][C@](C)(C(=O)N(C)Cc2c[nH]c[nH+]2)C1 ZINC000638403433 375000268 /nfs/dbraw/zinc/00/02/68/375000268.db2.gz TVVOXQDKJKOGHR-PWSUYJOCSA-N 2 2 252.318 0.135 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000638407469 375004412 /nfs/dbraw/zinc/00/44/12/375004412.db2.gz ACNJCSHPAWSFCY-VXGBXAGGSA-N 2 2 295.383 0.886 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000638407469 375004417 /nfs/dbraw/zinc/00/44/17/375004417.db2.gz ACNJCSHPAWSFCY-VXGBXAGGSA-N 2 2 295.383 0.886 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000638407467 375005644 /nfs/dbraw/zinc/00/56/44/375005644.db2.gz ACNJCSHPAWSFCY-RYUDHWBXSA-N 2 2 295.383 0.886 20 0 CCADLP Cc1cc(C[NH3+])oc1C(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000638407467 375005649 /nfs/dbraw/zinc/00/56/49/375005649.db2.gz ACNJCSHPAWSFCY-RYUDHWBXSA-N 2 2 295.383 0.886 20 0 CCADLP CCn1cc[nH+]c1[C@@H](C)NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638424538 375020504 /nfs/dbraw/zinc/02/05/04/375020504.db2.gz AQMLRAOFTOZNKV-RISCZKNCSA-N 2 2 280.372 0.836 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)[C@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638425924 375022814 /nfs/dbraw/zinc/02/28/14/375022814.db2.gz ILYPXXCNDBPHKZ-MJVIPROJSA-N 2 2 280.372 0.847 20 0 CCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)[C@H]1CC1(F)F ZINC000638440057 375043365 /nfs/dbraw/zinc/04/33/65/375043365.db2.gz NNOBXGGHMFCKAE-VHSXEESVSA-N 2 2 261.316 0.394 20 0 CCADLP [NH3+][C@@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C2 ZINC000638441980 375044506 /nfs/dbraw/zinc/04/45/06/375044506.db2.gz MODLXVYENKSBNX-ICUOPCATSA-N 2 2 260.341 0.853 20 0 CCADLP [NH3+][C@@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C2 ZINC000638441980 375044514 /nfs/dbraw/zinc/04/45/14/375044514.db2.gz MODLXVYENKSBNX-ICUOPCATSA-N 2 2 260.341 0.853 20 0 CCADLP [NH3+]C1(CNC(=O)c2ccc3[nH+]ccn3c2)CCOCC1 ZINC000638541265 375130607 /nfs/dbraw/zinc/13/06/07/375130607.db2.gz QTRFPYQIWJMIQW-UHFFFAOYSA-N 2 2 274.324 0.572 20 0 CCADLP CNc1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1 ZINC000638559576 375140332 /nfs/dbraw/zinc/14/03/32/375140332.db2.gz GXDYSXVQQJRSFL-LBPRGKRZSA-N 2 2 250.346 0.946 20 0 CCADLP O=C1C[C@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)CCCN1 ZINC000638582995 375162668 /nfs/dbraw/zinc/16/26/68/375162668.db2.gz WNHPRKHFXJTVMB-OLZOCXBDSA-N 2 2 251.374 0.729 20 0 CCADLP O=C1C[C@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)CCCN1 ZINC000638582995 375162673 /nfs/dbraw/zinc/16/26/73/375162673.db2.gz WNHPRKHFXJTVMB-OLZOCXBDSA-N 2 2 251.374 0.729 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000638611276 375191760 /nfs/dbraw/zinc/19/17/60/375191760.db2.gz NNEAKKJKJFJXIW-UONOGXRCSA-N 2 2 277.368 0.176 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000638611276 375191762 /nfs/dbraw/zinc/19/17/62/375191762.db2.gz NNEAKKJKJFJXIW-UONOGXRCSA-N 2 2 277.368 0.176 20 0 CCADLP C[N@@H+]1CCOC[C@H]1CNC(=O)C[C@H]([NH3+])Cc1ccccc1 ZINC000638612990 375197007 /nfs/dbraw/zinc/19/70/07/375197007.db2.gz ZKWVKVXKHNQFTO-HUUCEWRRSA-N 2 2 291.395 0.393 20 0 CCADLP C[N@H+]1CCOC[C@H]1CNC(=O)C[C@H]([NH3+])Cc1ccccc1 ZINC000638612990 375197013 /nfs/dbraw/zinc/19/70/13/375197013.db2.gz ZKWVKVXKHNQFTO-HUUCEWRRSA-N 2 2 291.395 0.393 20 0 CCADLP Cc1cn2ccc(C(=O)NC[C@H]3COCC[NH2+]3)cc2[nH+]1 ZINC000638613540 375199493 /nfs/dbraw/zinc/19/94/93/375199493.db2.gz YEODFHVXPOARRX-LBPRGKRZSA-N 2 2 274.324 0.361 20 0 CCADLP O=C(NC[C@@H]1COCC[NH2+]1)c1ccc2[nH+]ccn2c1 ZINC000638615639 375202831 /nfs/dbraw/zinc/20/28/31/375202831.db2.gz FSYOJYKHLCVFFP-LLVKDONJSA-N 2 2 260.297 0.053 20 0 CCADLP O=C(Cc1c[nH+]cn1Cc1ccccc1)N[C@@H]1CC[NH2+]C1 ZINC000638791191 375358710 /nfs/dbraw/zinc/35/87/10/375358710.db2.gz CLEHFNVDLAVQLC-CQSZACIVSA-N 2 2 284.363 0.952 20 0 CCADLP CO[C@H](C[NH2+]CC[N@@H+]1CC[C@H](C)C1)[C@@H]1CCOC1 ZINC000638873156 375417483 /nfs/dbraw/zinc/41/74/83/375417483.db2.gz FCJFEHGCQCZYSM-BFHYXJOUSA-N 2 2 256.390 0.969 20 0 CCADLP CO[C@H](C[NH2+]CC[N@H+]1CC[C@H](C)C1)[C@@H]1CCOC1 ZINC000638873156 375417490 /nfs/dbraw/zinc/41/74/90/375417490.db2.gz FCJFEHGCQCZYSM-BFHYXJOUSA-N 2 2 256.390 0.969 20 0 CCADLP C[C@@H](CC[NH2+]Cc1cnc(N)nc1N)[NH+]1CCCCC1 ZINC000639036668 375539480 /nfs/dbraw/zinc/53/94/80/375539480.db2.gz CFNJTPBLXWLDRG-NSHDSACASA-N 2 2 278.404 0.656 20 0 CCADLP [NH3+][C@H](CC(F)F)C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638985043 375496918 /nfs/dbraw/zinc/49/69/18/375496918.db2.gz XVQSCRJTQAHMJK-SNVBAGLBSA-N 3 2 299.325 0.412 20 0 CCADLP CC[C@H](C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[NH+](C)C ZINC000638985772 375497588 /nfs/dbraw/zinc/49/75/88/375497588.db2.gz NXHUJZTTXCYOIY-CYBMUJFWSA-N 3 2 291.399 0.770 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000639016547 375519053 /nfs/dbraw/zinc/51/90/53/375519053.db2.gz KIEWRYRVJRQPNA-MRVPVSSYSA-N 2 2 258.272 0.613 20 0 CCADLP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000639017753 375522114 /nfs/dbraw/zinc/52/21/14/375522114.db2.gz YNVKKWSETMYRJR-JOYOIKCWSA-N 2 2 252.318 0.135 20 0 CCADLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(S(N)(=O)=O)cc3)C[C@@H]2C1 ZINC000639113843 375583249 /nfs/dbraw/zinc/58/32/49/375583249.db2.gz XSADWVYZHNLGOF-BETUJISGSA-N 2 2 295.408 0.327 20 0 CCADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(S(N)(=O)=O)cc3)C[C@@H]2C1 ZINC000639113843 375583251 /nfs/dbraw/zinc/58/32/51/375583251.db2.gz XSADWVYZHNLGOF-BETUJISGSA-N 2 2 295.408 0.327 20 0 CCADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(S(N)(=O)=O)cc3)C[C@@H]2C1 ZINC000639113843 375583255 /nfs/dbraw/zinc/58/32/55/375583255.db2.gz XSADWVYZHNLGOF-BETUJISGSA-N 2 2 295.408 0.327 20 0 CCADLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(S(N)(=O)=O)cc3)C[C@@H]2C1 ZINC000639113843 375583259 /nfs/dbraw/zinc/58/32/59/375583259.db2.gz XSADWVYZHNLGOF-BETUJISGSA-N 2 2 295.408 0.327 20 0 CCADLP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1c[nH+]c(N)nc1N ZINC000639191837 375626541 /nfs/dbraw/zinc/62/65/41/375626541.db2.gz XSJGCGBYGQVQDF-JQWIXIFHSA-N 2 2 276.388 0.360 20 0 CCADLP CCCC[N@H+](C)CCNC[C@@H](O)C[NH+]1CCOCC1 ZINC000574631318 335035019 /nfs/dbraw/zinc/03/50/19/335035019.db2.gz DZSMDKJKZQSJDA-CQSZACIVSA-N 2 2 273.421 0.001 20 0 CCADLP CCCC[N@@H+](C)CCNC[C@@H](O)C[NH+]1CCOCC1 ZINC000574631318 335035021 /nfs/dbraw/zinc/03/50/21/335035021.db2.gz DZSMDKJKZQSJDA-CQSZACIVSA-N 2 2 273.421 0.001 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(CCCO)C2)CC[N@@H+]1C ZINC000639220317 375645632 /nfs/dbraw/zinc/64/56/32/375645632.db2.gz XYCSREBMBVZEFA-QLFBSQMISA-N 2 2 269.433 0.906 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(CCCO)C2)CC[N@H+]1C ZINC000639220317 375645637 /nfs/dbraw/zinc/64/56/37/375645637.db2.gz XYCSREBMBVZEFA-QLFBSQMISA-N 2 2 269.433 0.906 20 0 CCADLP COc1cc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)sn1 ZINC000639349636 375750794 /nfs/dbraw/zinc/75/07/94/375750794.db2.gz PUDAKWINYJAHGB-NSHDSACASA-N 2 2 298.412 0.581 20 0 CCADLP COc1cc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)sn1 ZINC000639349636 375750801 /nfs/dbraw/zinc/75/08/01/375750801.db2.gz PUDAKWINYJAHGB-NSHDSACASA-N 2 2 298.412 0.581 20 0 CCADLP C[C@@H]1[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CCS1(=O)=O ZINC000639352009 375752313 /nfs/dbraw/zinc/75/23/13/375752313.db2.gz KFMJLOTYHGGFCH-WISYIIOYSA-N 2 2 260.403 0.634 20 0 CCADLP C[C@@H]1[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCS1(=O)=O ZINC000639352009 375752319 /nfs/dbraw/zinc/75/23/19/375752319.db2.gz KFMJLOTYHGGFCH-WISYIIOYSA-N 2 2 260.403 0.634 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+](C)CC(=O)NC(C)(C)C ZINC000639446300 375783618 /nfs/dbraw/zinc/78/36/18/375783618.db2.gz SOIYHURDGQBTNA-UHFFFAOYSA-N 2 2 252.362 0.809 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+](C)CC(=O)NC(C)(C)C ZINC000639446300 375783622 /nfs/dbraw/zinc/78/36/22/375783622.db2.gz SOIYHURDGQBTNA-UHFFFAOYSA-N 2 2 252.362 0.809 20 0 CCADLP Cc1[nH+]cc(C[N@@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)n1C ZINC000639365480 375761762 /nfs/dbraw/zinc/76/17/62/375761762.db2.gz OZYJYHXRPQFYFP-OKILXGFUSA-N 2 2 276.340 0.213 20 0 CCADLP Cc1[nH+]cc(C[N@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)n1C ZINC000639365480 375761764 /nfs/dbraw/zinc/76/17/64/375761764.db2.gz OZYJYHXRPQFYFP-OKILXGFUSA-N 2 2 276.340 0.213 20 0 CCADLP Cn1cc(CN2CC[NH+](CCc3c[nH+]cn3C)CC2)cn1 ZINC000639480914 375801399 /nfs/dbraw/zinc/80/13/99/375801399.db2.gz QPPBHOWAUALVJD-UHFFFAOYSA-N 2 2 288.399 0.514 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[N@H+](C)CCc1c[nH+]cn1C ZINC000639487633 375804529 /nfs/dbraw/zinc/80/45/29/375804529.db2.gz QLYGIICSWDEZHI-JTQLQIEISA-N 2 2 259.375 0.328 20 0 CCADLP C[C@@H](CS(C)(=O)=O)[N@@H+](C)CCc1c[nH+]cn1C ZINC000639487633 375804533 /nfs/dbraw/zinc/80/45/33/375804533.db2.gz QLYGIICSWDEZHI-JTQLQIEISA-N 2 2 259.375 0.328 20 0 CCADLP Cn1c[nH+]cc1CC[N@H+](C)C[C@H](O)C(F)(F)F ZINC000639561951 375839215 /nfs/dbraw/zinc/83/92/15/375839215.db2.gz PYMOPPNYGJBTGZ-VIFPVBQESA-N 2 2 251.252 0.818 20 0 CCADLP Cn1c[nH+]cc1CC[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000639561951 375839222 /nfs/dbraw/zinc/83/92/22/375839222.db2.gz PYMOPPNYGJBTGZ-VIFPVBQESA-N 2 2 251.252 0.818 20 0 CCADLP OCC1([NH2+]CC2CC2)CC[NH+](CCc2cnccn2)CC1 ZINC000639669544 375898735 /nfs/dbraw/zinc/89/87/35/375898735.db2.gz WPJCOXJSAOATHX-UHFFFAOYSA-N 2 2 290.411 0.846 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000639713846 375940811 /nfs/dbraw/zinc/94/08/11/375940811.db2.gz ODDDAPBCEPZTIE-NSHDSACASA-N 2 2 289.339 0.882 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000639713846 375940814 /nfs/dbraw/zinc/94/08/14/375940814.db2.gz ODDDAPBCEPZTIE-NSHDSACASA-N 2 2 289.339 0.882 20 0 CCADLP C[C@H](C(=O)NC1CCCC1)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764597 375993013 /nfs/dbraw/zinc/99/30/13/375993013.db2.gz HKWNTXVAXXNFTA-CJNGLKHVSA-N 2 2 297.443 0.822 20 0 CCADLP C[C@H](C(=O)NC1CCCC1)[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639764597 375993018 /nfs/dbraw/zinc/99/30/18/375993018.db2.gz HKWNTXVAXXNFTA-CJNGLKHVSA-N 2 2 297.443 0.822 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCOCC(F)(F)F)C1 ZINC000639765345 375994465 /nfs/dbraw/zinc/99/44/65/375994465.db2.gz YKUFKOCKIIQHKE-NSHDSACASA-N 2 2 284.322 0.954 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCOCC(F)(F)F)C1 ZINC000639765345 375994470 /nfs/dbraw/zinc/99/44/70/375994470.db2.gz YKUFKOCKIIQHKE-NSHDSACASA-N 2 2 284.322 0.954 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@](C)(O)C(F)(F)F)C1 ZINC000639766365 375995227 /nfs/dbraw/zinc/99/52/27/375995227.db2.gz NPVFJSJHPXJPMX-WDEREUQCSA-N 2 2 284.322 0.688 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@](C)(O)C(F)(F)F)C1 ZINC000639766365 375995233 /nfs/dbraw/zinc/99/52/33/375995233.db2.gz NPVFJSJHPXJPMX-WDEREUQCSA-N 2 2 284.322 0.688 20 0 CCADLP COc1ccc(C[N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)nc1 ZINC000639766750 375998413 /nfs/dbraw/zinc/99/84/13/375998413.db2.gz OPJTXBAUDUFIOK-HNNXBMFYSA-N 2 2 279.384 0.979 20 0 CCADLP COc1ccc(C[N@H+]2CCC[C@](O)(C[NH+](C)C)C2)nc1 ZINC000639766750 375998418 /nfs/dbraw/zinc/99/84/18/375998418.db2.gz OPJTXBAUDUFIOK-HNNXBMFYSA-N 2 2 279.384 0.979 20 0 CCADLP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639768460 375998991 /nfs/dbraw/zinc/99/89/91/375998991.db2.gz YZAFXOVICUZMOS-SWLSCSKDSA-N 2 2 285.432 0.678 20 0 CCADLP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639768460 375998998 /nfs/dbraw/zinc/99/89/98/375998998.db2.gz YZAFXOVICUZMOS-SWLSCSKDSA-N 2 2 285.432 0.678 20 0 CCADLP CC(C)N1CC[C@@H]([N@@H+]2CCC[C@](O)(C[NH+](C)C)C2)C1=O ZINC000639760098 375982378 /nfs/dbraw/zinc/98/23/78/375982378.db2.gz BLZIZTCJTNMNGH-HIFRSBDPSA-N 2 2 283.416 0.384 20 0 CCADLP CC(C)N1CC[C@@H]([N@H+]2CCC[C@](O)(C[NH+](C)C)C2)C1=O ZINC000639760098 375982386 /nfs/dbraw/zinc/98/23/86/375982386.db2.gz BLZIZTCJTNMNGH-HIFRSBDPSA-N 2 2 283.416 0.384 20 0 CCADLP Cn1cc(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)cn1 ZINC000639761523 375984878 /nfs/dbraw/zinc/98/48/78/375984878.db2.gz MVGDWQBVBTWNKP-CYBMUJFWSA-N 2 2 252.362 0.309 20 0 CCADLP Cn1cc(C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)cn1 ZINC000639761523 375984885 /nfs/dbraw/zinc/98/48/85/375984885.db2.gz MVGDWQBVBTWNKP-CYBMUJFWSA-N 2 2 252.362 0.309 20 0 CCADLP COc1ccc(C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)cn1 ZINC000639762816 375990743 /nfs/dbraw/zinc/99/07/43/375990743.db2.gz UYSQJYNADAKUMT-OAHLLOKOSA-N 2 2 279.384 0.979 20 0 CCADLP COc1ccc(C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)cn1 ZINC000639762816 375990750 /nfs/dbraw/zinc/99/07/50/375990750.db2.gz UYSQJYNADAKUMT-OAHLLOKOSA-N 2 2 279.384 0.979 20 0 CCADLP COc1ccc(C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)nc1 ZINC000640051111 376217312 /nfs/dbraw/zinc/21/73/12/376217312.db2.gz HOABOXIFHFQPFT-UHFFFAOYSA-N 2 2 292.383 0.296 20 0 CCADLP COc1ccc(C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)nc1 ZINC000640051111 376217316 /nfs/dbraw/zinc/21/73/16/376217316.db2.gz HOABOXIFHFQPFT-UHFFFAOYSA-N 2 2 292.383 0.296 20 0 CCADLP COCCCCC[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640058273 376222336 /nfs/dbraw/zinc/22/23/36/376222336.db2.gz KVIITGDQEHULAG-UHFFFAOYSA-N 2 2 271.405 0.509 20 0 CCADLP COCCCCC[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000640058273 376222338 /nfs/dbraw/zinc/22/23/38/376222338.db2.gz KVIITGDQEHULAG-UHFFFAOYSA-N 2 2 271.405 0.509 20 0 CCADLP CC[NH+](CC)[C@H]1CCN(C[C@H](O)C[NH+]2CCOCC2)C1 ZINC000076052983 284582023 /nfs/dbraw/zinc/58/20/23/284582023.db2.gz XRTQCMRDSFSLSY-LSDHHAIUSA-N 2 2 285.432 0.096 20 0 CCADLP Cn1c[nH+]c(Cn2cc(C[C@H]3CCC[NH2+]C3)nn2)c1 ZINC000641053870 376721863 /nfs/dbraw/zinc/72/18/63/376721863.db2.gz PSYUZYGKUDKIQB-LLVKDONJSA-N 2 2 260.345 0.602 20 0 CCADLP COCC[C@@H]([NH3+])Cc1cn(Cc2c[nH+]ccc2OC)nn1 ZINC000641169515 376838959 /nfs/dbraw/zinc/83/89/59/376838959.db2.gz ZMDDOAVDJHZXBO-GFCCVEGCSA-N 2 2 291.355 0.636 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCCCC[NH2+]1 ZINC000080994386 284608045 /nfs/dbraw/zinc/60/80/45/284608045.db2.gz MPMHTYAXVMZDDE-NWDGAFQWSA-N 2 2 250.346 0.920 20 0 CCADLP C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)CCn3cc[nH+]c3)[C@H]2C1 ZINC000641415277 377091131 /nfs/dbraw/zinc/09/11/31/377091131.db2.gz PWAKWSUHTDMQEK-OLZOCXBDSA-N 2 2 298.412 0.239 20 0 CCADLP C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)CCn3cc[nH+]c3)[C@H]2C1 ZINC000641415277 377091133 /nfs/dbraw/zinc/09/11/33/377091133.db2.gz PWAKWSUHTDMQEK-OLZOCXBDSA-N 2 2 298.412 0.239 20 0 CCADLP C[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)s1)C[NH+](C)C ZINC000641757122 377444399 /nfs/dbraw/zinc/44/43/99/377444399.db2.gz UDLZYFQORCOWRY-SECBINFHSA-N 2 2 291.442 0.683 20 0 CCADLP CCn1nnc(C)c1C[NH2+][C@H](CO)CC[NH+](CC)CC ZINC000641770318 377453775 /nfs/dbraw/zinc/45/37/75/377453775.db2.gz MZKCRNNYHICKPG-ZDUSSCGKSA-N 2 2 283.420 0.789 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2ccns2)C1 ZINC000641797274 377466094 /nfs/dbraw/zinc/46/60/94/377466094.db2.gz AAEDDSSUGIIALU-NSHDSACASA-N 2 2 280.397 0.539 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2ccns2)C1 ZINC000641797274 377466104 /nfs/dbraw/zinc/46/61/04/377466104.db2.gz AAEDDSSUGIIALU-NSHDSACASA-N 2 2 280.397 0.539 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000641802503 377473619 /nfs/dbraw/zinc/47/36/19/377473619.db2.gz LXZDBTWJTHLMGM-YNEHKIRRSA-N 3 2 282.432 0.254 20 0 CCADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1cc(=O)n2ccsc2n1 ZINC000641805995 377478766 /nfs/dbraw/zinc/47/87/66/377478766.db2.gz PRRVCCYUVUAAPY-NXEZZACHSA-N 2 2 278.381 0.971 20 0 CCADLP CCCCn1nnnc1C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641806428 377478849 /nfs/dbraw/zinc/47/88/49/377478849.db2.gz PKRSHMQYCRIMRY-NXEZZACHSA-N 2 2 252.366 0.689 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](Cc2cc(=O)n(C)c(=O)n2C)[C@H]1C ZINC000641808838 377480223 /nfs/dbraw/zinc/48/02/23/377480223.db2.gz OEZQLERXCSICMN-GRYCIOLGSA-N 2 2 294.399 0.032 20 0 CCADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](Cc2cc(=O)n(C)c(=O)n2C)[C@H]1C ZINC000641808838 377480225 /nfs/dbraw/zinc/48/02/25/377480225.db2.gz OEZQLERXCSICMN-GRYCIOLGSA-N 2 2 294.399 0.032 20 0 CCADLP CCS(=O)(=O)NCCC[N@@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000641809572 377482344 /nfs/dbraw/zinc/48/23/44/377482344.db2.gz RKZKMTHQXYUZPS-UPJWGTAASA-N 2 2 291.461 0.764 20 0 CCADLP CCS(=O)(=O)NCCC[N@H+]1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000641809572 377482351 /nfs/dbraw/zinc/48/23/51/377482351.db2.gz RKZKMTHQXYUZPS-UPJWGTAASA-N 2 2 291.461 0.764 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1(C)C ZINC000641819769 377490354 /nfs/dbraw/zinc/49/03/54/377490354.db2.gz VVYNYIKHWSRWJJ-GFCCVEGCSA-N 2 2 291.399 0.934 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)CC1(C)C ZINC000641819769 377490359 /nfs/dbraw/zinc/49/03/59/377490359.db2.gz VVYNYIKHWSRWJJ-GFCCVEGCSA-N 2 2 291.399 0.934 20 0 CCADLP O=C(C=Cc1c[nH]c[nH+]1)NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000492765524 249084118 /nfs/dbraw/zinc/08/41/18/249084118.db2.gz LXHJDCDJSXXLKF-FWEMWIAWSA-N 2 2 271.324 0.998 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000515299201 249125967 /nfs/dbraw/zinc/12/59/67/249125967.db2.gz RPAMAMREXGJKED-UHFFFAOYSA-N 2 2 274.328 0.395 20 0 CCADLP CC1=CC[N@H+](CCNC(=O)NCc2c[nH+]cn2C)CC1 ZINC000514763434 249103504 /nfs/dbraw/zinc/10/35/04/249103504.db2.gz JAVHJHNSFKEYGK-UHFFFAOYSA-N 2 2 277.372 0.871 20 0 CCADLP CC1=CC[N@@H+](CCNC(=O)NCc2c[nH+]cn2C)CC1 ZINC000514763434 249103505 /nfs/dbraw/zinc/10/35/05/249103505.db2.gz JAVHJHNSFKEYGK-UHFFFAOYSA-N 2 2 277.372 0.871 20 0 CCADLP CC1CC[NH+](C[C@H](O)C[NH2+]C[C@@H](O)C(F)(F)F)CC1 ZINC000516182160 249154674 /nfs/dbraw/zinc/15/46/74/249154674.db2.gz LDQVHOMTWCVFQE-GHMZBOCLSA-N 2 2 284.322 0.592 20 0 CCADLP CC[N@H+](C)C[C@H](O)CN(C)C(C)(C)C[NH+]1CCOCC1 ZINC000516191479 249155313 /nfs/dbraw/zinc/15/53/13/249155313.db2.gz FZEANXODUNNADX-AWEZNQCLSA-N 2 2 287.448 0.342 20 0 CCADLP CC[N@@H+](C)C[C@H](O)CN(C)C(C)(C)C[NH+]1CCOCC1 ZINC000516191479 249155315 /nfs/dbraw/zinc/15/53/15/249155315.db2.gz FZEANXODUNNADX-AWEZNQCLSA-N 2 2 287.448 0.342 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)C(C)(C)CN1CCOCC1 ZINC000516191479 249155318 /nfs/dbraw/zinc/15/53/18/249155318.db2.gz FZEANXODUNNADX-AWEZNQCLSA-N 2 2 287.448 0.342 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)C(C)(C)CN1CCOCC1 ZINC000516191479 249155321 /nfs/dbraw/zinc/15/53/21/249155321.db2.gz FZEANXODUNNADX-AWEZNQCLSA-N 2 2 287.448 0.342 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)C(C)(C)CN1CCOCC1 ZINC000516191479 249155323 /nfs/dbraw/zinc/15/53/23/249155323.db2.gz FZEANXODUNNADX-AWEZNQCLSA-N 2 2 287.448 0.342 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)C(C)(C)CN1CCOCC1 ZINC000516191479 249155326 /nfs/dbraw/zinc/15/53/26/249155326.db2.gz FZEANXODUNNADX-AWEZNQCLSA-N 2 2 287.448 0.342 20 0 CCADLP CC(C)OCCCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000516959259 249192550 /nfs/dbraw/zinc/19/25/50/249192550.db2.gz IQSDVXPTUCHYSS-GFCCVEGCSA-N 2 2 272.393 0.086 20 0 CCADLP CC(C)OCCCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000516959259 249192552 /nfs/dbraw/zinc/19/25/52/249192552.db2.gz IQSDVXPTUCHYSS-GFCCVEGCSA-N 2 2 272.393 0.086 20 0 CCADLP Cc1nc(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)[nH]c1C ZINC000517042502 249201922 /nfs/dbraw/zinc/20/19/22/249201922.db2.gz WXHJSOUAMVAKHW-NSHDSACASA-N 2 2 265.405 0.752 20 0 CCADLP Nc1nc(-n2cccn2)cc(N2CC[C@H]3CC[NH2+][C@@H]3C2)[nH+]1 ZINC000643031132 377697155 /nfs/dbraw/zinc/69/71/55/377697155.db2.gz HVGXVDJTZOXOFS-GHMZBOCLSA-N 2 2 285.355 0.263 20 0 CCADLP Cc1nc(F)ccc1C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000278507044 194017639 /nfs/dbraw/zinc/01/76/39/194017639.db2.gz OJTJJISHQZVIPC-CYBMUJFWSA-N 2 2 266.364 0.865 20 0 CCADLP Cc1nc(F)ccc1C[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000278507044 194017641 /nfs/dbraw/zinc/01/76/41/194017641.db2.gz OJTJJISHQZVIPC-CYBMUJFWSA-N 2 2 266.364 0.865 20 0 CCADLP CC[C@H](O)C[NH+]1CCN(C(=O)[C@H](C)[NH+]2CC(C)C2)CC1 ZINC000569864753 291715519 /nfs/dbraw/zinc/71/55/19/291715519.db2.gz QSJMJBXOZBARLB-KBPBESRZSA-N 2 2 283.416 0.242 20 0 CCADLP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCOCC2)C1 ZINC000041573348 284781756 /nfs/dbraw/zinc/78/17/56/284781756.db2.gz GDEKTAZHDFIZRJ-UONOGXRCSA-N 2 2 283.416 0.650 20 0 CCADLP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000570081864 291731664 /nfs/dbraw/zinc/73/16/64/291731664.db2.gz KEQMTBAJMLMYGK-YDHLFZDLSA-N 3 2 296.415 0.251 20 0 CCADLP O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000279048679 194263484 /nfs/dbraw/zinc/26/34/84/194263484.db2.gz RELUVGZQCVAQCO-NWDGAFQWSA-N 2 2 289.383 0.407 20 0 CCADLP O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000279048679 194263485 /nfs/dbraw/zinc/26/34/85/194263485.db2.gz RELUVGZQCVAQCO-NWDGAFQWSA-N 2 2 289.383 0.407 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC000279066371 194268777 /nfs/dbraw/zinc/26/87/77/194268777.db2.gz DSATVDCYYOYXMH-GFCCVEGCSA-N 2 2 266.345 0.062 20 0 CCADLP Cc1cccn2cc(CC(=O)N3CC[C@@H]([NH3+])C3)[nH+]c12 ZINC000334914888 207283564 /nfs/dbraw/zinc/28/35/64/207283564.db2.gz AHJUTAGMIRMPRA-LLVKDONJSA-N 2 2 258.325 0.745 20 0 CCADLP O=S1(=O)CC[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657294688 412954936 /nfs/dbraw/zinc/95/49/36/412954936.db2.gz VJUANKHIYWPVAK-LLVKDONJSA-N 2 2 292.364 0.544 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)C(C)(C)C[NH3+])CC1 ZINC000237080481 284962890 /nfs/dbraw/zinc/96/28/90/284962890.db2.gz RGQJMLAKYLYUSK-UHFFFAOYSA-N 3 2 270.421 0.114 20 0 CCADLP C[NH+]1CCC(C[NH2+]Cc2nnn(C(C)(C)C)n2)CC1 ZINC000657348609 412965227 /nfs/dbraw/zinc/96/52/27/412965227.db2.gz BCIQUAHATUQVFT-UHFFFAOYSA-N 2 2 266.393 0.860 20 0 CCADLP Cc1nc(N2CC[NH+](C)CC2)cc(N2CC[NH+](C)CC2)[nH+]1 ZINC000244389073 284977182 /nfs/dbraw/zinc/97/71/82/284977182.db2.gz YEMKWKKIMSXEOW-UHFFFAOYSA-N 3 2 290.415 0.289 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2nccs2)C1 ZINC000262078672 296339858 /nfs/dbraw/zinc/33/98/58/296339858.db2.gz DUBMSFIJLHYECM-NSHDSACASA-N 2 2 280.397 0.539 20 0 CCADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2nccs2)C1 ZINC000262078672 296339859 /nfs/dbraw/zinc/33/98/59/296339859.db2.gz DUBMSFIJLHYECM-NSHDSACASA-N 2 2 280.397 0.539 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1cnn2c1CCC2 ZINC000657356150 412969697 /nfs/dbraw/zinc/96/96/97/412969697.db2.gz BMRRFUQJKSAMMF-ZDUSSCGKSA-N 2 2 263.389 0.165 20 0 CCADLP O=C(Nc1ccn2cc[nH+]c2c1)N1CC[NH+](CCO)CC1 ZINC000280933433 195034017 /nfs/dbraw/zinc/03/40/17/195034017.db2.gz HQXMPEWCFGOPNS-UHFFFAOYSA-N 2 2 289.339 0.476 20 0 CCADLP Cc1c[nH]c(C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)n1 ZINC000657357337 412971674 /nfs/dbraw/zinc/97/16/74/412971674.db2.gz AXKPVPXYFCDFNM-UHFFFAOYSA-N 2 2 293.415 0.750 20 0 CCADLP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000335285433 208101429 /nfs/dbraw/zinc/10/14/29/208101429.db2.gz VXXARPPGIWBHGT-UONOGXRCSA-N 2 2 277.343 0.817 20 0 CCADLP COCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368926529 285066589 /nfs/dbraw/zinc/06/65/89/285066589.db2.gz XVSBWFPLFXWMIS-CQSZACIVSA-N 2 2 298.431 0.443 20 0 CCADLP COCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368926529 285066590 /nfs/dbraw/zinc/06/65/90/285066590.db2.gz XVSBWFPLFXWMIS-CQSZACIVSA-N 2 2 298.431 0.443 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCS(=O)(=O)NC(C)(C)C ZINC000571908656 291845564 /nfs/dbraw/zinc/84/55/64/291845564.db2.gz PCGGSBHOLIWUAR-GHMZBOCLSA-N 2 2 277.434 0.292 20 0 CCADLP COC(=O)[C@@H]1CSCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000412068857 533033293 /nfs/dbraw/zinc/03/32/93/533033293.db2.gz GZTGTJPCHRWYRD-NSHDSACASA-N 2 2 283.397 0.801 20 0 CCADLP COC(=O)[C@@H]1CSCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000412068857 533033295 /nfs/dbraw/zinc/03/32/95/533033295.db2.gz GZTGTJPCHRWYRD-NSHDSACASA-N 2 2 283.397 0.801 20 0 CCADLP CC[C@@H]([NH3+])C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000572043678 291854970 /nfs/dbraw/zinc/85/49/70/291854970.db2.gz OFPVPYJZYDLFOF-MRVPVSSYSA-N 2 2 269.349 0.220 20 0 CCADLP c1[nH+]c2n(c1C[NH2+]CCNc1cnccn1)CCC2 ZINC000657395164 412983057 /nfs/dbraw/zinc/98/30/57/412983057.db2.gz ADGHVGARRLOYHJ-UHFFFAOYSA-N 2 2 258.329 0.821 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)c2c[nH+]ccc2N)C[C@@H]1C ZINC000249091474 285101734 /nfs/dbraw/zinc/10/17/34/285101734.db2.gz VZVFPBMLLPSZOB-QWRGUYRKSA-N 2 2 278.356 0.191 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)c2c[nH+]ccc2N)C[C@@H]1C ZINC000249091474 285101738 /nfs/dbraw/zinc/10/17/38/285101738.db2.gz VZVFPBMLLPSZOB-QWRGUYRKSA-N 2 2 278.356 0.191 20 0 CCADLP COc1ccnc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)n1 ZINC000424385160 533055672 /nfs/dbraw/zinc/05/56/72/533055672.db2.gz WAMCOGBHTZAXFZ-WDEREUQCSA-N 2 2 250.346 0.963 20 0 CCADLP Cn1nc(C(F)(F)F)cc1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000657415614 412985241 /nfs/dbraw/zinc/98/52/41/412985241.db2.gz MPEVHCGGQGGXCO-LLVKDONJSA-N 2 2 294.321 0.841 20 0 CCADLP COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000362715541 285110333 /nfs/dbraw/zinc/11/03/33/285110333.db2.gz JBZNFRZDVMQKIM-XJFOESAGSA-N 2 2 272.389 0.347 20 0 CCADLP COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000362715541 285110334 /nfs/dbraw/zinc/11/03/34/285110334.db2.gz JBZNFRZDVMQKIM-XJFOESAGSA-N 2 2 272.389 0.347 20 0 CCADLP CNC(=O)C(C)(C)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657413005 412986046 /nfs/dbraw/zinc/98/60/46/412986046.db2.gz GQYQNLLPTJUIND-UHFFFAOYSA-N 2 2 250.346 0.691 20 0 CCADLP CN(C)c1nccc(C[NH2+]Cc2c[nH+]c3n2CCC3)n1 ZINC000657427468 412988214 /nfs/dbraw/zinc/98/82/14/412988214.db2.gz OAHOSBOXQGQOJF-UHFFFAOYSA-N 2 2 272.356 0.975 20 0 CCADLP CCn1cc[nH+]c1CN1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000249525994 285122605 /nfs/dbraw/zinc/12/26/05/285122605.db2.gz YHXSHBQSVZYUII-STQMWFEESA-N 2 2 266.389 0.790 20 0 CCADLP CCn1cc[nH+]c1CN1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000249525994 285122608 /nfs/dbraw/zinc/12/26/08/285122608.db2.gz YHXSHBQSVZYUII-STQMWFEESA-N 2 2 266.389 0.790 20 0 CCADLP Cn1nccc1C1=CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000289344543 197305736 /nfs/dbraw/zinc/30/57/36/197305736.db2.gz GIGCKOBRAJMNSA-OAHLLOKOSA-N 2 2 290.411 0.964 20 0 CCADLP Cn1nccc1C1=CC[N@H+](C[C@H](O)C[NH+](C)C2CC2)CC1 ZINC000289344543 197305731 /nfs/dbraw/zinc/30/57/31/197305731.db2.gz GIGCKOBRAJMNSA-OAHLLOKOSA-N 2 2 290.411 0.964 20 0 CCADLP Cn1nccc1C1=CC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)CC1 ZINC000289344543 197305733 /nfs/dbraw/zinc/30/57/33/197305733.db2.gz GIGCKOBRAJMNSA-OAHLLOKOSA-N 2 2 290.411 0.964 20 0 CCADLP Cn1nccc1C1=CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000289344543 197305735 /nfs/dbraw/zinc/30/57/35/197305735.db2.gz GIGCKOBRAJMNSA-OAHLLOKOSA-N 2 2 290.411 0.964 20 0 CCADLP COc1cc[nH+]cc1CNC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000418221903 533077521 /nfs/dbraw/zinc/07/75/21/533077521.db2.gz WIWBBTFVOXYLQU-GHMZBOCLSA-N 2 2 278.356 0.969 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657434800 412989829 /nfs/dbraw/zinc/98/98/29/412989829.db2.gz IXJSRDGOWHIINN-OAHLLOKOSA-N 3 2 287.367 0.424 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657434800 412989832 /nfs/dbraw/zinc/98/98/32/412989832.db2.gz IXJSRDGOWHIINN-OAHLLOKOSA-N 3 2 287.367 0.424 20 0 CCADLP Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000657436173 412989905 /nfs/dbraw/zinc/98/99/05/412989905.db2.gz POSOATZXLHHKIH-NSHDSACASA-N 2 2 292.305 0.595 20 0 CCADLP Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000657436173 412989910 /nfs/dbraw/zinc/98/99/10/412989910.db2.gz POSOATZXLHHKIH-NSHDSACASA-N 2 2 292.305 0.595 20 0 CCADLP CCC[C@@H](O)[C@H](CO)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657490384 413008228 /nfs/dbraw/zinc/00/82/28/413008228.db2.gz IJSOKDDVTAGOEF-NWDGAFQWSA-N 2 2 253.346 0.441 20 0 CCADLP COC[C@@H](C)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354983065 285198127 /nfs/dbraw/zinc/19/81/27/285198127.db2.gz IWMUTHJKDIMSRM-KGLIPLIRSA-N 2 2 297.443 0.896 20 0 CCADLP COC[C@@H](C)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354983065 285198133 /nfs/dbraw/zinc/19/81/33/285198133.db2.gz IWMUTHJKDIMSRM-KGLIPLIRSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000657573912 413026188 /nfs/dbraw/zinc/02/61/88/413026188.db2.gz PRQCXWRWZFPENO-ILXRZTDVSA-N 3 2 270.465 0.798 20 0 CCADLP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000657573912 413026195 /nfs/dbraw/zinc/02/61/95/413026195.db2.gz PRQCXWRWZFPENO-ILXRZTDVSA-N 3 2 270.465 0.798 20 0 CCADLP Cc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)no1 ZINC000284088842 388772984 /nfs/dbraw/zinc/77/29/84/388772984.db2.gz MFCYYHKFCPRXBZ-AAEUAGOBSA-N 2 2 280.372 0.973 20 0 CCADLP Cc1cc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)no1 ZINC000284088842 388772992 /nfs/dbraw/zinc/77/29/92/388772992.db2.gz MFCYYHKFCPRXBZ-AAEUAGOBSA-N 2 2 280.372 0.973 20 0 CCADLP CCC[C@H](C(=O)N1CC[NH+](C[C@@H](C)O)CC1)[NH+](C)C ZINC000186792445 388852463 /nfs/dbraw/zinc/85/24/63/388852463.db2.gz NNFOXURUKBZBFY-CHWSQXEVSA-N 2 2 271.405 0.242 20 0 CCADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000040805182 388855141 /nfs/dbraw/zinc/85/51/41/388855141.db2.gz BWUBZORCTYLAQN-VXGBXAGGSA-N 2 2 271.405 0.587 20 0 CCADLP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000186708186 388848296 /nfs/dbraw/zinc/84/82/96/388848296.db2.gz XVNMMSPLRKIYTQ-LBPRGKRZSA-N 2 2 276.384 0.998 20 0 CCADLP CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000186708186 388848298 /nfs/dbraw/zinc/84/82/98/388848298.db2.gz XVNMMSPLRKIYTQ-LBPRGKRZSA-N 2 2 276.384 0.998 20 0 CCADLP CCC[C@@]1(C)C(=O)NCC[N@H+]1CCn1cc[nH+]c1 ZINC000187314633 388877226 /nfs/dbraw/zinc/87/72/26/388877226.db2.gz GBSOINSZOZQOMX-ZDUSSCGKSA-N 2 2 250.346 0.874 20 0 CCADLP CCC[C@@]1(C)C(=O)NCC[N@@H+]1CCn1cc[nH+]c1 ZINC000187314633 388877229 /nfs/dbraw/zinc/87/72/29/388877229.db2.gz GBSOINSZOZQOMX-ZDUSSCGKSA-N 2 2 250.346 0.874 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000290680133 388910560 /nfs/dbraw/zinc/91/05/60/388910560.db2.gz HYFUUMSQRAZQNG-NSHDSACASA-N 2 2 277.372 0.704 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000290680133 388910562 /nfs/dbraw/zinc/91/05/62/388910562.db2.gz HYFUUMSQRAZQNG-NSHDSACASA-N 2 2 277.372 0.704 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000188230978 388919555 /nfs/dbraw/zinc/91/95/55/388919555.db2.gz AZZGRDQTCHBLPA-LLVKDONJSA-N 2 2 266.345 0.144 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000188724484 388938472 /nfs/dbraw/zinc/93/84/72/388938472.db2.gz YSZVOYGSMZZPMR-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1cnc(N(C)C)n1C ZINC000070143914 388954379 /nfs/dbraw/zinc/95/43/79/388954379.db2.gz IJARXGGOLKGZGF-LLVKDONJSA-N 2 2 253.394 0.916 20 0 CCADLP C[C@H](CC[NH+](C)C)NCc1c[nH+]c(N(C)C)n1C ZINC000070143914 388954380 /nfs/dbraw/zinc/95/43/80/388954380.db2.gz IJARXGGOLKGZGF-LLVKDONJSA-N 2 2 253.394 0.916 20 0 CCADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@H+](C)CCN2C)[C@@H]1C ZINC000354332774 389020978 /nfs/dbraw/zinc/02/09/78/389020978.db2.gz VYQNOTXLOGCEED-QPSCCSFWSA-N 2 2 297.443 0.800 20 0 CCADLP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2C[N@@H+](C)CCN2C)[C@@H]1C ZINC000354332774 389020981 /nfs/dbraw/zinc/02/09/81/389020981.db2.gz VYQNOTXLOGCEED-QPSCCSFWSA-N 2 2 297.443 0.800 20 0 CCADLP CC1CC[NH+](CCNC(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000338149506 389079695 /nfs/dbraw/zinc/07/96/95/389079695.db2.gz GCMJWIUMJUTMJC-UHFFFAOYSA-N 2 2 297.443 0.945 20 0 CCADLP CCN(CCC[NH+](C)C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338205443 389090357 /nfs/dbraw/zinc/09/03/57/389090357.db2.gz MYIWBWYYRSCNSC-UHFFFAOYSA-N 2 2 285.432 0.897 20 0 CCADLP O=C(NCCn1cc[nH+]c1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000298670807 389039159 /nfs/dbraw/zinc/03/91/59/389039159.db2.gz VLIZPIUPOTVIKD-CHWSQXEVSA-N 2 2 277.372 0.809 20 0 CCADLP O=C(NCCn1cc[nH+]c1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000298670807 389039160 /nfs/dbraw/zinc/03/91/60/389039160.db2.gz VLIZPIUPOTVIKD-CHWSQXEVSA-N 2 2 277.372 0.809 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@](C)([NH3+])c2ccccc2)CC1 ZINC000192513357 389041298 /nfs/dbraw/zinc/04/12/98/389041298.db2.gz UGNPJZYPWKYVEK-MRXNPFEDSA-N 2 2 291.395 0.651 20 0 CCADLP CNC(=O)C[NH+]1CCC(Nc2cc(C)[nH+]c(C)n2)CC1 ZINC000192571073 389044691 /nfs/dbraw/zinc/04/46/91/389044691.db2.gz YWGQDOTXWLNTAG-UHFFFAOYSA-N 2 2 277.372 0.716 20 0 CCADLP C[C@@H](NC(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000313342520 389113446 /nfs/dbraw/zinc/11/34/46/389113446.db2.gz GEOPBAAKYQLIJA-UKRRQHHQSA-N 2 2 291.395 0.913 20 0 CCADLP C[C@@H](NC(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000313342520 389113448 /nfs/dbraw/zinc/11/34/48/389113448.db2.gz GEOPBAAKYQLIJA-UKRRQHHQSA-N 2 2 291.395 0.913 20 0 CCADLP COc1ccc(CN2CC[N@H+](C)C[C@@H]2C[NH3+])cc1OC ZINC000226615862 389148755 /nfs/dbraw/zinc/14/87/55/389148755.db2.gz QYKMXICBNKFQFM-ZDUSSCGKSA-N 2 2 279.384 0.779 20 0 CCADLP COc1ccc(CN2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1OC ZINC000226615862 389148757 /nfs/dbraw/zinc/14/87/57/389148757.db2.gz QYKMXICBNKFQFM-ZDUSSCGKSA-N 2 2 279.384 0.779 20 0 CCADLP CC[N@@H+]1CC[C@@H]2OCCN(CC[NH+]3CCOCC3)[C@@H]2C1 ZINC000339392505 389132096 /nfs/dbraw/zinc/13/20/96/389132096.db2.gz HNWPMXIZKONQDH-CABCVRRESA-N 2 2 283.416 0.114 20 0 CCADLP CC[N@H+]1CC[C@@H]2OCCN(CC[NH+]3CCOCC3)[C@@H]2C1 ZINC000339392505 389132099 /nfs/dbraw/zinc/13/20/99/389132099.db2.gz HNWPMXIZKONQDH-CABCVRRESA-N 2 2 283.416 0.114 20 0 CCADLP CC[N@@H+]1CC[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC000339384012 389132243 /nfs/dbraw/zinc/13/22/43/389132243.db2.gz BVUFWOKEUPABDI-KBPBESRZSA-N 2 2 264.373 0.678 20 0 CCADLP CC[N@H+]1CC[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC000339384012 389132245 /nfs/dbraw/zinc/13/22/45/389132245.db2.gz BVUFWOKEUPABDI-KBPBESRZSA-N 2 2 264.373 0.678 20 0 CCADLP Cc1nc(N(C)C)nc(N2CC[C@H](OCC[NH+](C)C)C2)[nH+]1 ZINC000339680201 389137677 /nfs/dbraw/zinc/13/76/77/389137677.db2.gz BEZJQJIXAZBJKV-LBPRGKRZSA-N 2 2 294.403 0.403 20 0 CCADLP CN(C)C(=O)CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000357780106 389138066 /nfs/dbraw/zinc/13/80/66/389138066.db2.gz LWEOLSCBRSJIFW-ZDUSSCGKSA-N 2 2 269.389 0.119 20 0 CCADLP CN(C)C(=O)CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000357780106 389138069 /nfs/dbraw/zinc/13/80/69/389138069.db2.gz LWEOLSCBRSJIFW-ZDUSSCGKSA-N 2 2 269.389 0.119 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000237083539 389181684 /nfs/dbraw/zinc/18/16/84/389181684.db2.gz YMKPCNXLTOVKSB-INIZCTEOSA-N 3 2 296.459 0.518 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)c2ccccc2C1 ZINC000237198956 389184558 /nfs/dbraw/zinc/18/45/58/389184558.db2.gz KPPZEWXVMHLNND-AWEZNQCLSA-N 2 2 275.352 0.453 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)c2ccccc2C1 ZINC000237198956 389184559 /nfs/dbraw/zinc/18/45/59/389184559.db2.gz KPPZEWXVMHLNND-AWEZNQCLSA-N 2 2 275.352 0.453 20 0 CCADLP CNC(=O)C[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000341886473 389193514 /nfs/dbraw/zinc/19/35/14/389193514.db2.gz JRVMOXWJAIHLNV-OLZOCXBDSA-N 2 2 298.431 0.043 20 0 CCADLP CNC(=O)C[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000341886473 389193517 /nfs/dbraw/zinc/19/35/17/389193517.db2.gz JRVMOXWJAIHLNV-OLZOCXBDSA-N 2 2 298.431 0.043 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+](CCO)CC1)[C@H]([NH3+])c1ccccc1 ZINC000130138319 389199841 /nfs/dbraw/zinc/19/98/41/389199841.db2.gz CLMJYAQQPZIWGY-HIFRSBDPSA-N 2 2 291.395 0.459 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000227800349 389152000 /nfs/dbraw/zinc/15/20/00/389152000.db2.gz NLJYEIRXAPEKKY-GJZGRUSLSA-N 2 2 293.411 0.374 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000227800349 389152003 /nfs/dbraw/zinc/15/20/03/389152003.db2.gz NLJYEIRXAPEKKY-GJZGRUSLSA-N 2 2 293.411 0.374 20 0 CCADLP CCCC[N@@H+](CC(N)=O)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000227800379 389152403 /nfs/dbraw/zinc/15/24/03/389152403.db2.gz QWZZJBDZIXFDMJ-GJZGRUSLSA-N 2 2 293.411 0.505 20 0 CCADLP CCCC[N@H+](CC(N)=O)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000227800379 389152405 /nfs/dbraw/zinc/15/24/05/389152405.db2.gz QWZZJBDZIXFDMJ-GJZGRUSLSA-N 2 2 293.411 0.505 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2cccs2)[C@H](C[NH3+])C1 ZINC000122561690 389152481 /nfs/dbraw/zinc/15/24/81/389152481.db2.gz ZUTHPDBZTAMNLP-SNVBAGLBSA-N 2 2 253.371 0.392 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2cccs2)[C@H](C[NH3+])C1 ZINC000122561690 389152483 /nfs/dbraw/zinc/15/24/83/389152483.db2.gz ZUTHPDBZTAMNLP-SNVBAGLBSA-N 2 2 253.371 0.392 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H](CO)Cc1ccccc1 ZINC000229204991 389155416 /nfs/dbraw/zinc/15/54/16/389155416.db2.gz LEHVCJMZQGCFQJ-IMJJTQAJSA-N 2 2 278.396 0.947 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCCS(C)(=O)=O ZINC000123672720 389157035 /nfs/dbraw/zinc/15/70/35/389157035.db2.gz QGALEPDCCXIQHX-NSHDSACASA-N 2 2 250.408 0.726 20 0 CCADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCCS(C)(=O)=O ZINC000123672720 389157037 /nfs/dbraw/zinc/15/70/37/389157037.db2.gz QGALEPDCCXIQHX-NSHDSACASA-N 2 2 250.408 0.726 20 0 CCADLP C[C@H]1C[C@@H]([NH+](C)CCN2C(=O)NC(C)(C)C2=O)CC[N@@H+]1C ZINC000123751064 389157579 /nfs/dbraw/zinc/15/75/79/389157579.db2.gz SGLYOEXLTVJMSI-RYUDHWBXSA-N 2 2 296.415 0.731 20 0 CCADLP C[C@H]1C[C@@H]([NH+](C)CCN2C(=O)NC(C)(C)C2=O)CC[N@H+]1C ZINC000123751064 389157581 /nfs/dbraw/zinc/15/75/81/389157581.db2.gz SGLYOEXLTVJMSI-RYUDHWBXSA-N 2 2 296.415 0.731 20 0 CCADLP C[C@H]1C[C@@H]([N@H+](C)CCN2C(=O)NC(C)(C)C2=O)CC[NH+]1C ZINC000123751064 389157586 /nfs/dbraw/zinc/15/75/86/389157586.db2.gz SGLYOEXLTVJMSI-RYUDHWBXSA-N 2 2 296.415 0.731 20 0 CCADLP C[C@H]1C[C@@H]([N@@H+](C)CCN2C(=O)NC(C)(C)C2=O)CC[NH+]1C ZINC000123751064 389157591 /nfs/dbraw/zinc/15/75/91/389157591.db2.gz SGLYOEXLTVJMSI-RYUDHWBXSA-N 2 2 296.415 0.731 20 0 CCADLP CN(CC[N@H+](C)CC(=O)N1CCC1)C1CC[NH+](C)CC1 ZINC000340960884 389170666 /nfs/dbraw/zinc/17/06/66/389170666.db2.gz RFURGCXJIMXISV-UHFFFAOYSA-N 2 2 282.432 0.177 20 0 CCADLP CN(CC[N@@H+](C)CC(=O)N1CCC1)C1CC[NH+](C)CC1 ZINC000340960884 389170668 /nfs/dbraw/zinc/17/06/68/389170668.db2.gz RFURGCXJIMXISV-UHFFFAOYSA-N 2 2 282.432 0.177 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)N1CCC1 ZINC000340960884 389170671 /nfs/dbraw/zinc/17/06/71/389170671.db2.gz RFURGCXJIMXISV-UHFFFAOYSA-N 2 2 282.432 0.177 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)N1CCC1 ZINC000340960884 389170673 /nfs/dbraw/zinc/17/06/73/389170673.db2.gz RFURGCXJIMXISV-UHFFFAOYSA-N 2 2 282.432 0.177 20 0 CCADLP CC[C@]1(C(=O)N2CC[NH+](C3CC3)CC2)CCC[NH2+]1 ZINC000128944356 389179165 /nfs/dbraw/zinc/17/91/65/389179165.db2.gz PTMOVSKGJMVGJO-CQSZACIVSA-N 2 2 251.374 0.825 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CC[NH2+]CC1(F)F ZINC000342698688 389243745 /nfs/dbraw/zinc/24/37/45/389243745.db2.gz HJIXHYBGTHHXJT-MNOVXSKESA-N 2 2 291.342 0.068 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000342702827 389244548 /nfs/dbraw/zinc/24/45/48/389244548.db2.gz ZRZWANOPKRGKDB-FRRDWIJNSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000342702827 389244551 /nfs/dbraw/zinc/24/45/51/389244551.db2.gz ZRZWANOPKRGKDB-FRRDWIJNSA-N 2 2 269.389 0.211 20 0 CCADLP COC(=O)CC[C@H]([NH3+])C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000342713453 389246841 /nfs/dbraw/zinc/24/68/41/389246841.db2.gz SSQZFTBVYFTSPX-NSHDSACASA-N 2 2 290.323 0.231 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)C1 ZINC000342826865 389253962 /nfs/dbraw/zinc/25/39/62/389253962.db2.gz ORUIPEYAVDGNPK-ZGFBFQLVSA-N 2 2 265.401 0.973 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)C1 ZINC000342826865 389253964 /nfs/dbraw/zinc/25/39/64/389253964.db2.gz ORUIPEYAVDGNPK-ZGFBFQLVSA-N 2 2 265.401 0.973 20 0 CCADLP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000364414517 389262867 /nfs/dbraw/zinc/26/28/67/389262867.db2.gz CZHBWPHFQFAPHT-QWHCGFSZSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364425892 389263807 /nfs/dbraw/zinc/26/38/07/389263807.db2.gz PIPVYOOSBMNKQM-VXGBXAGGSA-N 2 2 264.373 0.902 20 0 CCADLP CC(C)N1CC[C@@H]([N@@H+]2CC[C@@H](C[NH+](C)C)C2)C1=O ZINC000245456965 389209382 /nfs/dbraw/zinc/20/93/82/389209382.db2.gz BRHMEBBXWXCTSR-QWHCGFSZSA-N 2 2 253.390 0.879 20 0 CCADLP CC(C)N1CC[C@@H]([N@H+]2CC[C@@H](C[NH+](C)C)C2)C1=O ZINC000245456965 389209385 /nfs/dbraw/zinc/20/93/85/389209385.db2.gz BRHMEBBXWXCTSR-QWHCGFSZSA-N 2 2 253.390 0.879 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000342601713 389228549 /nfs/dbraw/zinc/22/85/49/389228549.db2.gz PLPQPIQZTWHETF-PWSUYJOCSA-N 2 2 279.388 0.300 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000342601713 389228551 /nfs/dbraw/zinc/22/85/51/389228551.db2.gz PLPQPIQZTWHETF-PWSUYJOCSA-N 2 2 279.388 0.300 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+](CCCO)CC2)c1 ZINC000264212652 389313225 /nfs/dbraw/zinc/31/32/25/389313225.db2.gz SNTSMNCFNZSCLT-UHFFFAOYSA-N 2 2 251.330 0.595 20 0 CCADLP C[C@H](NC(=O)CCn1cc[nH+]c1)[C@H](C)[NH+]1CCOCC1 ZINC000264282856 389317854 /nfs/dbraw/zinc/31/78/54/389317854.db2.gz PEXRAQAVZRQNAY-STQMWFEESA-N 2 2 280.372 0.499 20 0 CCADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[NH+](C3CC3)CC2)C1(C)C ZINC000156986574 389329016 /nfs/dbraw/zinc/32/90/16/389329016.db2.gz VMVMYHPPADRMIE-CJNGLKHVSA-N 2 2 295.427 0.826 20 0 CCADLP COCCCNC(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000158074872 389335464 /nfs/dbraw/zinc/33/54/64/389335464.db2.gz QFSXAZLLZSVHQC-ZDUSSCGKSA-N 2 2 271.405 0.413 20 0 CCADLP COCCCNC(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000158074872 389335467 /nfs/dbraw/zinc/33/54/67/389335467.db2.gz QFSXAZLLZSVHQC-ZDUSSCGKSA-N 2 2 271.405 0.413 20 0 CCADLP COCCCNC(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000158074872 389335470 /nfs/dbraw/zinc/33/54/70/389335470.db2.gz QFSXAZLLZSVHQC-ZDUSSCGKSA-N 2 2 271.405 0.413 20 0 CCADLP COCCCNC(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000158074872 389335472 /nfs/dbraw/zinc/33/54/72/389335472.db2.gz QFSXAZLLZSVHQC-ZDUSSCGKSA-N 2 2 271.405 0.413 20 0 CCADLP CO[C@@H]1[C@H]2C[C@H]3C[N@H+](CC(=O)N4CC[NH+](C)CC4)[C@H]1[C@H]3C2 ZINC000367606419 389336590 /nfs/dbraw/zinc/33/65/90/389336590.db2.gz WOXLAZQHDNVQPD-YOPIWALVSA-N 2 2 293.411 0.116 20 0 CCADLP CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](CC(=O)N4CC[NH+](C)CC4)[C@H]1[C@H]3C2 ZINC000367606419 389336594 /nfs/dbraw/zinc/33/65/94/389336594.db2.gz WOXLAZQHDNVQPD-YOPIWALVSA-N 2 2 293.411 0.116 20 0 CCADLP Cc1c[nH+]c(CN2CCO[C@@H]3CC[N@H+](C)C[C@H]32)n1C ZINC000343919075 389275751 /nfs/dbraw/zinc/27/57/51/389275751.db2.gz PHBJAFJAFKXAFR-CHWSQXEVSA-N 2 2 264.373 0.633 20 0 CCADLP Cc1c[nH+]c(CN2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)n1C ZINC000343919075 389275752 /nfs/dbraw/zinc/27/57/52/389275752.db2.gz PHBJAFJAFKXAFR-CHWSQXEVSA-N 2 2 264.373 0.633 20 0 CCADLP C[C@@H]1CN(C)C[C@@H]1[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000344242636 389280326 /nfs/dbraw/zinc/28/03/26/389280326.db2.gz ZXQQVTLPFPDYFC-HIFRSBDPSA-N 2 2 296.459 0.469 20 0 CCADLP C[C@@]1(C[N@@H+]2CCC[C@@H](S(C)(=O)=O)CC2)CC[NH2+]C1 ZINC000262084047 389281260 /nfs/dbraw/zinc/28/12/60/389281260.db2.gz UCISXEYVEWGKLK-CHWSQXEVSA-N 2 2 274.430 0.885 20 0 CCADLP C[C@@]1(C[N@H+]2CCC[C@@H](S(C)(=O)=O)CC2)CC[NH2+]C1 ZINC000262084047 389281262 /nfs/dbraw/zinc/28/12/62/389281262.db2.gz UCISXEYVEWGKLK-CHWSQXEVSA-N 2 2 274.430 0.885 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000366001145 389291209 /nfs/dbraw/zinc/29/12/09/389291209.db2.gz OXTWSLRGFXILEK-LBPRGKRZSA-N 2 2 267.373 0.062 20 0 CCADLP C[N@H+]1CCO[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000366001145 389291212 /nfs/dbraw/zinc/29/12/12/389291212.db2.gz OXTWSLRGFXILEK-LBPRGKRZSA-N 2 2 267.373 0.062 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000331541649 389308120 /nfs/dbraw/zinc/30/81/20/389308120.db2.gz FCQHWXPPIBSZSQ-SMDDNHRTSA-N 2 2 282.388 0.296 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000331541649 389308121 /nfs/dbraw/zinc/30/81/21/389308121.db2.gz FCQHWXPPIBSZSQ-SMDDNHRTSA-N 2 2 282.388 0.296 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2c(C)nn(C)c2OC)C1 ZINC000158495949 389342757 /nfs/dbraw/zinc/34/27/57/389342757.db2.gz KCVROUOVKRVVQO-NSHDSACASA-N 2 2 252.362 0.778 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2c(C)nn(C)c2OC)C1 ZINC000158495949 389342763 /nfs/dbraw/zinc/34/27/63/389342763.db2.gz KCVROUOVKRVVQO-NSHDSACASA-N 2 2 252.362 0.778 20 0 CCADLP Cc1cc(CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)cc(C)[nH+]1 ZINC000421926943 389384201 /nfs/dbraw/zinc/38/42/01/389384201.db2.gz YVRHJMCGESSOIV-OAHLLOKOSA-N 2 2 288.395 0.705 20 0 CCADLP Cc1cc(CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)cc(C)[nH+]1 ZINC000421926943 389384204 /nfs/dbraw/zinc/38/42/04/389384204.db2.gz YVRHJMCGESSOIV-OAHLLOKOSA-N 2 2 288.395 0.705 20 0 CCADLP CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CN(C)CC[NH+]1C ZINC000332920335 389392948 /nfs/dbraw/zinc/39/29/48/389392948.db2.gz AOMLPIDNYAZVMM-UONOGXRCSA-N 2 2 297.447 0.016 20 0 CCADLP CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CN(C)CC[NH+]1C ZINC000332920335 389392953 /nfs/dbraw/zinc/39/29/53/389392953.db2.gz AOMLPIDNYAZVMM-UONOGXRCSA-N 2 2 297.447 0.016 20 0 CCADLP CC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000332920335 389392956 /nfs/dbraw/zinc/39/29/56/389392956.db2.gz AOMLPIDNYAZVMM-UONOGXRCSA-N 2 2 297.447 0.016 20 0 CCADLP CC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1CN(C)CC[N@H+]1C ZINC000332920335 389392959 /nfs/dbraw/zinc/39/29/59/389392959.db2.gz AOMLPIDNYAZVMM-UONOGXRCSA-N 2 2 297.447 0.016 20 0 CCADLP Cc1nc(N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc[nH+]1 ZINC000161860522 389411152 /nfs/dbraw/zinc/41/11/52/389411152.db2.gz VFIJYWUKMCRDLL-ZDUSSCGKSA-N 2 2 289.383 0.704 20 0 CCADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)N3CCOCC3)CC[C@@H]21 ZINC000158522205 389344744 /nfs/dbraw/zinc/34/47/44/389344744.db2.gz ZSVGIBCSKYBXNT-KBPBESRZSA-N 2 2 281.400 0.261 20 0 CCADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)N3CCOCC3)CC[C@@H]21 ZINC000158522205 389344751 /nfs/dbraw/zinc/34/47/51/389344751.db2.gz ZSVGIBCSKYBXNT-KBPBESRZSA-N 2 2 281.400 0.261 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)N3CCOCC3)CC[C@@H]21 ZINC000158522205 389344754 /nfs/dbraw/zinc/34/47/54/389344754.db2.gz ZSVGIBCSKYBXNT-KBPBESRZSA-N 2 2 281.400 0.261 20 0 CCADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)N3CCOCC3)CC[C@@H]21 ZINC000158522205 389344759 /nfs/dbraw/zinc/34/47/59/389344759.db2.gz ZSVGIBCSKYBXNT-KBPBESRZSA-N 2 2 281.400 0.261 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000332475609 389352964 /nfs/dbraw/zinc/35/29/64/389352964.db2.gz TZJXWUNJVLJUIN-VXGBXAGGSA-N 2 2 274.430 0.789 20 0 CCADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)C[C@H]21 ZINC000332656393 389356420 /nfs/dbraw/zinc/35/64/20/389356420.db2.gz ZMVMLSXOFZHLGB-AAVRWANBSA-N 2 2 296.415 0.371 20 0 CCADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)C[C@H]21 ZINC000332656393 389356424 /nfs/dbraw/zinc/35/64/24/389356424.db2.gz ZMVMLSXOFZHLGB-AAVRWANBSA-N 2 2 296.415 0.371 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCc3nnnn3CC2)C1 ZINC000421400837 389361837 /nfs/dbraw/zinc/36/18/37/389361837.db2.gz SPKKZWRSRCKSHI-QJPTWQEYSA-N 2 2 264.377 0.308 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCc3nnnn3CC2)C1 ZINC000421400837 389361839 /nfs/dbraw/zinc/36/18/39/389361839.db2.gz SPKKZWRSRCKSHI-QJPTWQEYSA-N 2 2 264.377 0.308 20 0 CCADLP [NH3+]CC1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000422730287 389461447 /nfs/dbraw/zinc/46/14/47/389461447.db2.gz LWWPMFQXMWQRTL-OAHLLOKOSA-N 2 2 295.427 0.827 20 0 CCADLP [NH3+]CC1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000422730287 389461450 /nfs/dbraw/zinc/46/14/50/389461450.db2.gz LWWPMFQXMWQRTL-OAHLLOKOSA-N 2 2 295.427 0.827 20 0 CCADLP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000334235654 389461868 /nfs/dbraw/zinc/46/18/68/389461868.db2.gz HIHGPOUUGPRYCQ-TZMCWYRMSA-N 2 2 276.384 0.998 20 0 CCADLP c1ccc(CC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)nc1 ZINC000422734913 389462658 /nfs/dbraw/zinc/46/26/58/389462658.db2.gz UVYCMZFMGBYALK-GJZGRUSLSA-N 2 2 261.369 0.981 20 0 CCADLP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422740779 389463784 /nfs/dbraw/zinc/46/37/84/389463784.db2.gz NEILELODWNJAQT-ZBFHGGJFSA-N 3 2 282.476 0.990 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@H](C)[N@H+](C)C1CC1 ZINC000422744379 389465520 /nfs/dbraw/zinc/46/55/20/389465520.db2.gz SQJHEDLRTVHIIU-WCFLWFBJSA-N 2 2 269.389 0.352 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@H](C)[N@@H+](C)C1CC1 ZINC000422744379 389465524 /nfs/dbraw/zinc/46/55/24/389465524.db2.gz SQJHEDLRTVHIIU-WCFLWFBJSA-N 2 2 269.389 0.352 20 0 CCADLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccnc(N)c3)CC2)C1 ZINC000373277765 389469625 /nfs/dbraw/zinc/46/96/25/389469625.db2.gz IGRFPYJGMQXEAK-HNNXBMFYSA-N 2 2 289.427 0.706 20 0 CCADLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccnc(N)c3)CC2)C1 ZINC000373277765 389469627 /nfs/dbraw/zinc/46/96/27/389469627.db2.gz IGRFPYJGMQXEAK-HNNXBMFYSA-N 2 2 289.427 0.706 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccccc1OCCO ZINC000422778835 389473661 /nfs/dbraw/zinc/47/36/61/389473661.db2.gz HVGFRGNYIZRPIS-DZGCQCFKSA-N 2 2 294.395 0.914 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000422820978 389481347 /nfs/dbraw/zinc/48/13/47/389481347.db2.gz TWRJFEBRBPXKOT-ZFWWWQNUSA-N 3 2 268.449 0.600 20 0 CCADLP NS(=O)(=O)CCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000171942421 389482680 /nfs/dbraw/zinc/48/26/80/389482680.db2.gz LUCHOOMJRGBUTI-UHFFFAOYSA-N 2 2 272.374 0.199 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@]1(N(C)C)CCSC1 ZINC000422822215 389482712 /nfs/dbraw/zinc/48/27/12/389482712.db2.gz JJSINHZMQPGFDW-MCIONIFRSA-N 2 2 287.473 0.780 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000422823219 389482846 /nfs/dbraw/zinc/48/28/46/389482846.db2.gz CUDVXRLEDUSFOH-OCCSQVGLSA-N 2 2 283.416 0.459 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000422823219 389482849 /nfs/dbraw/zinc/48/28/49/389482849.db2.gz CUDVXRLEDUSFOH-OCCSQVGLSA-N 2 2 283.416 0.459 20 0 CCADLP CCC[N@H+](CC)CCN[C@H]1CC[NH2+][C@@H]1C(=O)OCC ZINC000422825854 389483613 /nfs/dbraw/zinc/48/36/13/389483613.db2.gz QBMJZSBHJMHGBY-STQMWFEESA-N 2 2 271.405 0.602 20 0 CCADLP CCC[N@@H+](CC)CCN[C@H]1CC[NH2+][C@@H]1C(=O)OCC ZINC000422825854 389483619 /nfs/dbraw/zinc/48/36/19/389483619.db2.gz QBMJZSBHJMHGBY-STQMWFEESA-N 2 2 271.405 0.602 20 0 CCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000334523231 389494907 /nfs/dbraw/zinc/49/49/07/389494907.db2.gz QGEUISBWJJPAPW-LLVKDONJSA-N 2 2 250.346 0.895 20 0 CCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000334523231 389494911 /nfs/dbraw/zinc/49/49/11/389494911.db2.gz QGEUISBWJJPAPW-LLVKDONJSA-N 2 2 250.346 0.895 20 0 CCADLP C[N@@H+](CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1)C1CC1 ZINC000373480157 389486529 /nfs/dbraw/zinc/48/65/29/389486529.db2.gz NDQDFFJSCCSQGD-HNNXBMFYSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+](CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C1CC1 ZINC000373480157 389486531 /nfs/dbraw/zinc/48/65/31/389486531.db2.gz NDQDFFJSCCSQGD-HNNXBMFYSA-N 2 2 295.427 0.840 20 0 CCADLP C[NH+](CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C1CC1 ZINC000373480157 389486536 /nfs/dbraw/zinc/48/65/36/389486536.db2.gz NDQDFFJSCCSQGD-HNNXBMFYSA-N 2 2 295.427 0.840 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000422846885 389490424 /nfs/dbraw/zinc/49/04/24/389490424.db2.gz QPJURLSSZBAUGO-QWHCGFSZSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000422846885 389490427 /nfs/dbraw/zinc/49/04/27/389490427.db2.gz QPJURLSSZBAUGO-QWHCGFSZSA-N 2 2 298.431 0.029 20 0 CCADLP [NH3+]C[C@@H](NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C1CC1 ZINC000422854204 389491976 /nfs/dbraw/zinc/49/19/76/389491976.db2.gz AQYNVVGBJJOUSA-ZIAGYGMSSA-N 2 2 281.400 0.483 20 0 CCADLP [NH3+]C[C@@H](NC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C1CC1 ZINC000422854204 389491979 /nfs/dbraw/zinc/49/19/79/389491979.db2.gz AQYNVVGBJJOUSA-ZIAGYGMSSA-N 2 2 281.400 0.483 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000270679663 389434210 /nfs/dbraw/zinc/43/42/10/389434210.db2.gz UJYCWVITXJQGLI-WDEREUQCSA-N 2 2 273.402 0.945 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000270679663 389434213 /nfs/dbraw/zinc/43/42/13/389434213.db2.gz UJYCWVITXJQGLI-WDEREUQCSA-N 2 2 273.402 0.945 20 0 CCADLP CC(C)(CC[NH3+])NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000422591175 389444077 /nfs/dbraw/zinc/44/40/77/389444077.db2.gz BUWHPHJBSWASAF-UHFFFAOYSA-N 2 2 286.420 0.524 20 0 CCADLP CC(C)(CC[NH3+])NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000422591175 389444080 /nfs/dbraw/zinc/44/40/80/389444080.db2.gz BUWHPHJBSWASAF-UHFFFAOYSA-N 2 2 286.420 0.524 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2[nH+]ccn2C)C[C@@H]1C ZINC000271741736 389445078 /nfs/dbraw/zinc/44/50/78/389445078.db2.gz WGGCYYBKMRHOOM-RYUDHWBXSA-N 2 2 295.387 0.017 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)NCc2[nH+]ccn2C)C[C@@H]1C ZINC000271741736 389445081 /nfs/dbraw/zinc/44/50/81/389445081.db2.gz WGGCYYBKMRHOOM-RYUDHWBXSA-N 2 2 295.387 0.017 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC3(CC[NH2+]3)CC2)CC1 ZINC000422642240 389448983 /nfs/dbraw/zinc/44/89/83/389448983.db2.gz ZCRRYWBNHCXBGQ-AWEZNQCLSA-N 3 2 294.443 0.367 20 0 CCADLP [NH3+][C@@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000422697639 389452936 /nfs/dbraw/zinc/45/29/36/389452936.db2.gz VLHKLPVEJRRCMI-OCCSQVGLSA-N 2 2 281.400 0.580 20 0 CCADLP [NH3+][C@@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000422697639 389452938 /nfs/dbraw/zinc/45/29/38/389452938.db2.gz VLHKLPVEJRRCMI-OCCSQVGLSA-N 2 2 281.400 0.580 20 0 CCADLP O=C(NC1CC[NH2+]CC1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000422696751 389452999 /nfs/dbraw/zinc/45/29/99/389452999.db2.gz SGQONOPTHMXVRZ-CQSZACIVSA-N 2 2 281.400 0.356 20 0 CCADLP O=C(NC1CC[NH2+]CC1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000422696751 389453003 /nfs/dbraw/zinc/45/30/03/389453003.db2.gz SGQONOPTHMXVRZ-CQSZACIVSA-N 2 2 281.400 0.356 20 0 CCADLP CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422708383 389456809 /nfs/dbraw/zinc/45/68/09/389456809.db2.gz BWJHQOLBHKFXNT-XHSDSOJGSA-N 3 2 282.476 0.990 20 0 CCADLP COC[C@H](C)[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000173646420 389506212 /nfs/dbraw/zinc/50/62/12/389506212.db2.gz NUHKVRWNRXJZKA-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP COC(=O)CNC(=O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173951085 389511805 /nfs/dbraw/zinc/51/18/05/389511805.db2.gz FVQKIYFHMZWHOL-LBPRGKRZSA-N 2 2 285.388 0.082 20 0 CCADLP COC(=O)CNC(=O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173951085 389511807 /nfs/dbraw/zinc/51/18/07/389511807.db2.gz FVQKIYFHMZWHOL-LBPRGKRZSA-N 2 2 285.388 0.082 20 0 CCADLP COC(=O)CNC(=O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173951085 389511812 /nfs/dbraw/zinc/51/18/12/389511812.db2.gz FVQKIYFHMZWHOL-LBPRGKRZSA-N 2 2 285.388 0.082 20 0 CCADLP COC(=O)CNC(=O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173951085 389511814 /nfs/dbraw/zinc/51/18/14/389511814.db2.gz FVQKIYFHMZWHOL-LBPRGKRZSA-N 2 2 285.388 0.082 20 0 CCADLP COc1cccc(CC[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)n1 ZINC000422988876 389518027 /nfs/dbraw/zinc/51/80/27/389518027.db2.gz AGFLWLCBUZZXDO-OCCSQVGLSA-N 2 2 279.384 0.989 20 0 CCADLP Fc1cccnc1OCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422993496 389518132 /nfs/dbraw/zinc/51/81/32/389518132.db2.gz FTLVMSCAXSSBNR-KBPBESRZSA-N 2 2 295.358 0.956 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000276672605 389526575 /nfs/dbraw/zinc/52/65/75/389526575.db2.gz ZNWSINKRWGXZLU-QSKOYVBTSA-N 2 2 278.356 0.336 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000276672605 389526580 /nfs/dbraw/zinc/52/65/80/389526580.db2.gz ZNWSINKRWGXZLU-QSKOYVBTSA-N 2 2 278.356 0.336 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@H]1NCC1([NH+](C)C)CCC1 ZINC000423057358 389527787 /nfs/dbraw/zinc/52/77/87/389527787.db2.gz HESIEWQDQTWZSW-VXGBXAGGSA-N 2 2 269.389 0.354 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000373918256 389528144 /nfs/dbraw/zinc/52/81/44/389528144.db2.gz CGOUEAWMPLSQQC-GFCCVEGCSA-N 2 2 294.399 0.914 20 0 CCADLP COCC[N@@H+](C)CCCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000373918256 389528147 /nfs/dbraw/zinc/52/81/47/389528147.db2.gz CGOUEAWMPLSQQC-GFCCVEGCSA-N 2 2 294.399 0.914 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000373918256 389528151 /nfs/dbraw/zinc/52/81/51/389528151.db2.gz CGOUEAWMPLSQQC-GFCCVEGCSA-N 2 2 294.399 0.914 20 0 CCADLP COCC[N@@H+](C)CCCNC(=O)[C@@H]1CCCc2[nH]c[nH+]c21 ZINC000373918256 389528156 /nfs/dbraw/zinc/52/81/56/389528156.db2.gz CGOUEAWMPLSQQC-GFCCVEGCSA-N 2 2 294.399 0.914 20 0 CCADLP CC[C@@H]1CN(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CCO1 ZINC000423091401 389532502 /nfs/dbraw/zinc/53/25/02/389532502.db2.gz XAMVEYLCZCCNRQ-MCIONIFRSA-N 2 2 255.406 0.827 20 0 CCADLP CC[C@@H]1C[N@H+](CCN[C@H](C)[C@@H]2CCC[NH2+]2)CCO1 ZINC000423091401 389532505 /nfs/dbraw/zinc/53/25/05/389532505.db2.gz XAMVEYLCZCCNRQ-MCIONIFRSA-N 2 2 255.406 0.827 20 0 CCADLP CC[C@@H]1C[N@@H+](CCN[C@H](C)[C@@H]2CCC[NH2+]2)CCO1 ZINC000423091401 389532511 /nfs/dbraw/zinc/53/25/11/389532511.db2.gz XAMVEYLCZCCNRQ-MCIONIFRSA-N 2 2 255.406 0.827 20 0 CCADLP COC(=O)c1cn(CC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)nn1 ZINC000423100404 389535055 /nfs/dbraw/zinc/53/50/55/389535055.db2.gz GUJOFKDSCJGLOE-QWRGUYRKSA-N 2 2 281.360 0.185 20 0 CCADLP CCC[N@H+](CC)C[C@@H](C)N[C@@H]1CC[NH2+][C@H]1C(=O)OCC ZINC000423138341 389542216 /nfs/dbraw/zinc/54/22/16/389542216.db2.gz IWEWZOPDUMKBFX-MGPQQGTHSA-N 2 2 285.432 0.990 20 0 CCADLP CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1CC[NH2+][C@H]1C(=O)OCC ZINC000423138341 389542218 /nfs/dbraw/zinc/54/22/18/389542218.db2.gz IWEWZOPDUMKBFX-MGPQQGTHSA-N 2 2 285.432 0.990 20 0 CCADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000423190340 389551543 /nfs/dbraw/zinc/55/15/43/389551543.db2.gz NPQCZRIMDMZHHX-WCQYABFASA-N 2 2 297.424 0.997 20 0 CCADLP C([NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)[C@@H]1CCC[NH2+]C1 ZINC000423207077 389553287 /nfs/dbraw/zinc/55/32/87/389553287.db2.gz GOOJDVWSDRILKB-BNOWGMLFSA-N 3 2 253.390 0.343 20 0 CCADLP CC[C@H](C(=O)N1CC[NH2+][C@H](c2cccnc2)C1)[NH+](C)C ZINC000413779366 389556355 /nfs/dbraw/zinc/55/63/55/389556355.db2.gz DZWFJDNULJGMPZ-UONOGXRCSA-N 2 2 276.384 0.895 20 0 CCADLP C(C[C@@H]1CCC[NH2+]C1)[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423255709 389557422 /nfs/dbraw/zinc/55/74/22/389557422.db2.gz ANZDEPXVZAFGHD-CFVMTHIKSA-N 3 2 267.417 0.733 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374206024 389557743 /nfs/dbraw/zinc/55/77/43/389557743.db2.gz BTWCZGLNQVXRSQ-MRVPVSSYSA-N 2 2 265.317 0.173 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1N[C@@H](C[NH3+])CC(C)C ZINC000423267095 389559030 /nfs/dbraw/zinc/55/90/30/389559030.db2.gz SPXZWELNVVLIES-GRYCIOLGSA-N 2 2 257.378 0.243 20 0 CCADLP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@@H](C[NH3+])CC(C)C ZINC000423267095 389559034 /nfs/dbraw/zinc/55/90/34/389559034.db2.gz SPXZWELNVVLIES-GRYCIOLGSA-N 2 2 257.378 0.243 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@]12C[C@H]1CC[NH2+]2)[NH+]1CCOCC1 ZINC000423309416 389561729 /nfs/dbraw/zinc/56/17/29/389561729.db2.gz ZPKBDBARKSJVCO-IPYPFGDCSA-N 2 2 281.400 0.211 20 0 CCADLP COCC[N@@H+](C)CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000373641048 389503219 /nfs/dbraw/zinc/50/32/19/389503219.db2.gz WSYMKYLDAAPEDW-CYBMUJFWSA-N 2 2 294.399 0.530 20 0 CCADLP O=C(CC[C@@H]1CCC[NH2+]1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000423768098 389609900 /nfs/dbraw/zinc/60/99/00/389609900.db2.gz ZVZUNPYPIBJLPG-JSGCOSHPSA-N 2 2 281.400 0.498 20 0 CCADLP O=C(CC[C@@H]1CCC[NH2+]1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000423768098 389609903 /nfs/dbraw/zinc/60/99/03/389609903.db2.gz ZVZUNPYPIBJLPG-JSGCOSHPSA-N 2 2 281.400 0.498 20 0 CCADLP CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414310081 389611197 /nfs/dbraw/zinc/61/11/97/389611197.db2.gz YTXRJHKMWAFFFS-QWRGUYRKSA-N 2 2 281.404 0.879 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1 ZINC000423862716 389612841 /nfs/dbraw/zinc/61/28/41/389612841.db2.gz GNUIERFBNZNEFU-OBJOEFQTSA-N 2 2 283.416 0.539 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000423862716 389612845 /nfs/dbraw/zinc/61/28/45/389612845.db2.gz GNUIERFBNZNEFU-OBJOEFQTSA-N 2 2 283.416 0.539 20 0 CCADLP [NH3+][C@@H]1C[C@@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000424126856 389620469 /nfs/dbraw/zinc/62/04/69/389620469.db2.gz CCHPXTHVQOPPML-RRFJBIMHSA-N 2 2 289.379 0.523 20 0 CCADLP CC(C)C[C@H]([NH3+])CN1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000414677323 389625562 /nfs/dbraw/zinc/62/55/62/389625562.db2.gz IXWKKFMHSGXUSZ-HNNXBMFYSA-N 2 2 296.459 0.600 20 0 CCADLP CC(C)C[C@H]([NH3+])CN1CCN(Cc2[nH+]ccn2C)CC1 ZINC000414707237 389629862 /nfs/dbraw/zinc/62/98/62/389629862.db2.gz YRQKRTCNWRMOSJ-AWEZNQCLSA-N 2 2 279.432 0.911 20 0 CCADLP Cn1cc(C[NH2+]C[C@H]2C[NH2+]CCN2C)c(C(C)(C)C)n1 ZINC000414959955 389648014 /nfs/dbraw/zinc/64/80/14/389648014.db2.gz GGARVJPITUUAHC-CYBMUJFWSA-N 2 2 279.432 0.711 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3n[nH]cc3C)C2)CC1 ZINC000375059067 389633340 /nfs/dbraw/zinc/63/33/40/389633340.db2.gz NAICWTQWHSUPIW-AWEZNQCLSA-N 2 2 277.416 0.930 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3n[nH]cc3C)C2)CC1 ZINC000375059067 389633342 /nfs/dbraw/zinc/63/33/42/389633342.db2.gz NAICWTQWHSUPIW-AWEZNQCLSA-N 2 2 277.416 0.930 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3[nH]ncc3C)C2)CC1 ZINC000375059067 389633344 /nfs/dbraw/zinc/63/33/44/389633344.db2.gz NAICWTQWHSUPIW-AWEZNQCLSA-N 2 2 277.416 0.930 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3[nH]ncc3C)C2)CC1 ZINC000375059067 389633348 /nfs/dbraw/zinc/63/33/48/389633348.db2.gz NAICWTQWHSUPIW-AWEZNQCLSA-N 2 2 277.416 0.930 20 0 CCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335547074 389574619 /nfs/dbraw/zinc/57/46/19/389574619.db2.gz CSZDOBGZXKMDFE-NEPJUHHUSA-N 2 2 262.357 0.608 20 0 CCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000335547074 389574624 /nfs/dbraw/zinc/57/46/24/389574624.db2.gz CSZDOBGZXKMDFE-NEPJUHHUSA-N 2 2 262.357 0.608 20 0 CCADLP COC(=O)c1ccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)[nH]1 ZINC000414929127 389644975 /nfs/dbraw/zinc/64/49/75/389644975.db2.gz NQWXPPMIMMLDIP-SKDRFNHKSA-N 2 2 251.330 0.889 20 0 CCADLP C[NH+](C)CCn1ccc(=NC(=O)[C@@H]2[NH2+]CCCC2(C)C)[nH]1 ZINC000423390486 389577925 /nfs/dbraw/zinc/57/79/25/389577925.db2.gz OURSQDBSUZIAAM-ZDUSSCGKSA-N 2 2 293.415 0.583 20 0 CCADLP CC(C)C(=O)N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000335688911 389585068 /nfs/dbraw/zinc/58/50/68/389585068.db2.gz NKBCJSZSKCZDNP-CYBMUJFWSA-N 2 2 253.390 0.786 20 0 CCADLP CC(C)N1CC[C@H]([N@@H+]2CC[C@H](C[NH+](C)C)C2)C1=O ZINC000177682222 389589693 /nfs/dbraw/zinc/58/96/93/389589693.db2.gz BRHMEBBXWXCTSR-OLZOCXBDSA-N 2 2 253.390 0.879 20 0 CCADLP CC(C)N1CC[C@H]([N@H+]2CC[C@H](C[NH+](C)C)C2)C1=O ZINC000177682222 389589695 /nfs/dbraw/zinc/58/96/95/389589695.db2.gz BRHMEBBXWXCTSR-OLZOCXBDSA-N 2 2 253.390 0.879 20 0 CCADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccc2c(c1)OCO2 ZINC000423483647 389593840 /nfs/dbraw/zinc/59/38/40/389593840.db2.gz SQQUDBFBUPBRGT-YPMHNXCESA-N 2 2 277.368 0.970 20 0 CCADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000423483569 389594090 /nfs/dbraw/zinc/59/40/90/389594090.db2.gz XYYSQKVJXABAJG-ZYHUDNBSSA-N 2 2 285.413 0.983 20 0 CCADLP C[C@@H](CO)N(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000374653373 389597788 /nfs/dbraw/zinc/59/77/88/389597788.db2.gz BFAIDSSGEWNXDB-QWHCGFSZSA-N 2 2 298.431 0.177 20 0 CCADLP C[C@@H](CO)N(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000374653373 389597790 /nfs/dbraw/zinc/59/77/90/389597790.db2.gz BFAIDSSGEWNXDB-QWHCGFSZSA-N 2 2 298.431 0.177 20 0 CCADLP Cc1cn2c([nH+]1)CN(C(=O)NC1CC[NH+](C)CC1)CC2 ZINC000374695010 389601872 /nfs/dbraw/zinc/60/18/72/389601872.db2.gz RASFHXQNBCWACQ-UHFFFAOYSA-N 2 2 277.372 0.811 20 0 CCADLP C[C@H](CC[NH+](C)C)NC(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000280654975 389602403 /nfs/dbraw/zinc/60/24/03/389602403.db2.gz AAJXIWLVMVDWJE-DGCLKSJQSA-N 2 2 281.404 0.479 20 0 CCADLP C[C@@H](C[NH3+])NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000423599510 389603149 /nfs/dbraw/zinc/60/31/49/389603149.db2.gz XYVDKRHTJXKIKU-CMPLNLGQSA-N 2 2 255.362 0.093 20 0 CCADLP C[C@@H](C[NH3+])NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000423599510 389603153 /nfs/dbraw/zinc/60/31/53/389603153.db2.gz XYVDKRHTJXKIKU-CMPLNLGQSA-N 2 2 255.362 0.093 20 0 CCADLP COC[C@@]1(C[NH2+]Cc2c[nH]c(C(=O)OC)c2)CCC[NH2+]1 ZINC000414941205 389646679 /nfs/dbraw/zinc/64/66/79/389646679.db2.gz ISKBWXRUEWYHQQ-AWEZNQCLSA-N 2 2 281.356 0.660 20 0 CCADLP CN(C)S(=O)(=O)CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375758013 389708784 /nfs/dbraw/zinc/70/87/84/389708784.db2.gz NNAWMFOAEHWOOR-FUNVUKJBSA-N 2 2 289.445 0.435 20 0 CCADLP CN(C)S(=O)(=O)CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375758013 389708785 /nfs/dbraw/zinc/70/87/85/389708785.db2.gz NNAWMFOAEHWOOR-FUNVUKJBSA-N 2 2 289.445 0.435 20 0 CCADLP CN(C)S(=O)(=O)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375758013 389708789 /nfs/dbraw/zinc/70/87/89/389708789.db2.gz NNAWMFOAEHWOOR-FUNVUKJBSA-N 2 2 289.445 0.435 20 0 CCADLP CN(C)S(=O)(=O)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375758013 389708791 /nfs/dbraw/zinc/70/87/91/389708791.db2.gz NNAWMFOAEHWOOR-FUNVUKJBSA-N 2 2 289.445 0.435 20 0 CCADLP CC(=O)NC[C@@H]1C[N@H+](CCCn2cc[nH+]c2)CCO1 ZINC000182788775 389716708 /nfs/dbraw/zinc/71/67/08/389716708.db2.gz OEZBGVAWBVXZKI-CYBMUJFWSA-N 2 2 266.345 0.110 20 0 CCADLP CC(=O)NC[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)CCO1 ZINC000182788775 389716710 /nfs/dbraw/zinc/71/67/10/389716710.db2.gz OEZBGVAWBVXZKI-CYBMUJFWSA-N 2 2 266.345 0.110 20 0 CCADLP Cn1cnc2cc(C[NH2+]C[C@@H]3C[NH2+]CCN3C)ccc21 ZINC000414975175 389650353 /nfs/dbraw/zinc/65/03/53/389650353.db2.gz LGUYYLLTXPAHIB-ZDUSSCGKSA-N 2 2 273.384 0.567 20 0 CCADLP CCOCC[N@H+](CC)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000179314386 389652157 /nfs/dbraw/zinc/65/21/57/389652157.db2.gz BFABTTYOMAAPLY-CQSZACIVSA-N 2 2 285.432 0.897 20 0 CCADLP CCOCC[N@@H+](CC)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000179314386 389652161 /nfs/dbraw/zinc/65/21/61/389652161.db2.gz BFABTTYOMAAPLY-CQSZACIVSA-N 2 2 285.432 0.897 20 0 CCADLP CCOC(=O)c1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)o1 ZINC000415029767 389653252 /nfs/dbraw/zinc/65/32/52/389653252.db2.gz BLUSJFRZQISWNR-GFCCVEGCSA-N 2 2 282.340 0.924 20 0 CCADLP Cc1cc(N2CC[C@@H]([NH2+]C[C@H]([NH3+])CC(C)C)C2=O)n(C)n1 ZINC000415086322 389656644 /nfs/dbraw/zinc/65/66/44/389656644.db2.gz UJUWTURCNQDUOL-CHWSQXEVSA-N 2 2 293.415 0.797 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(=O)n2[nH]ccc2n1 ZINC000181064414 389680156 /nfs/dbraw/zinc/68/01/56/389680156.db2.gz ITIBQWCVUMKZSB-UHFFFAOYSA-N 2 2 286.339 0.741 20 0 CCADLP O[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)C(F)(F)F ZINC000181718235 389692159 /nfs/dbraw/zinc/69/21/59/389692159.db2.gz MIYXKFCHQUESHJ-QWRGUYRKSA-N 2 2 282.306 0.564 20 0 CCADLP Cc1ccc(NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c(C)[nH+]1 ZINC000415619118 389695025 /nfs/dbraw/zinc/69/50/25/389695025.db2.gz HFIGPVATLSDZSY-NOZJJQNGSA-N 2 2 290.367 0.751 20 0 CCADLP CC(C)CNC(=O)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000378248401 389757867 /nfs/dbraw/zinc/75/78/67/389757867.db2.gz MXGRKFCLBWYMCY-RRFJBIMHSA-N 2 2 297.443 0.942 20 0 CCADLP CC(C)CNC(=O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000378248401 389757868 /nfs/dbraw/zinc/75/78/68/389757868.db2.gz MXGRKFCLBWYMCY-RRFJBIMHSA-N 2 2 297.443 0.942 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCS[C@@H](C)CC1 ZINC000379466412 389761719 /nfs/dbraw/zinc/76/17/19/389761719.db2.gz JIFFIQDNWMGIPN-STQMWFEESA-N 2 2 276.446 0.753 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCS[C@@H](C)CC1 ZINC000379466412 389761721 /nfs/dbraw/zinc/76/17/21/389761721.db2.gz JIFFIQDNWMGIPN-STQMWFEESA-N 2 2 276.446 0.753 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCS[C@@H](C)CC1 ZINC000379466412 389761723 /nfs/dbraw/zinc/76/17/23/389761723.db2.gz JIFFIQDNWMGIPN-STQMWFEESA-N 2 2 276.446 0.753 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CCS[C@@H](C)CC1 ZINC000379466412 389761726 /nfs/dbraw/zinc/76/17/26/389761726.db2.gz JIFFIQDNWMGIPN-STQMWFEESA-N 2 2 276.446 0.753 20 0 CCADLP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)COCc2ccco2)C1 ZINC000389416159 389771512 /nfs/dbraw/zinc/77/15/12/389771512.db2.gz UFUICXWIHNITTL-OLZOCXBDSA-N 2 2 268.357 0.841 20 0 CCADLP CC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)COCc2ccco2)C1 ZINC000389416159 389771516 /nfs/dbraw/zinc/77/15/16/389771516.db2.gz UFUICXWIHNITTL-OLZOCXBDSA-N 2 2 268.357 0.841 20 0 CCADLP C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@H](C)[NH3+] ZINC000416813244 389773153 /nfs/dbraw/zinc/77/31/53/389773153.db2.gz FNXNCERXZRLNPE-WDEREUQCSA-N 2 2 272.393 0.132 20 0 CCADLP C[C@H](CC[NH3+])NC(=O)NCc1cn2ccccc2[nH+]1 ZINC000416873269 389777999 /nfs/dbraw/zinc/77/79/99/389777999.db2.gz QHYWTRSOYGSVSZ-SNVBAGLBSA-N 2 2 261.329 0.871 20 0 CCADLP C[NH+](C)Cc1cnc(C[NH2+]CCNC(=O)C2CC2)s1 ZINC000352250930 389779096 /nfs/dbraw/zinc/77/90/96/389779096.db2.gz MORQCJFHJHDERN-UHFFFAOYSA-N 2 2 282.413 0.821 20 0 CCADLP CN(C)c1[nH+]cc(CNCC2([NH+](C)C)CC2)n1C ZINC000397885719 389780256 /nfs/dbraw/zinc/78/02/56/389780256.db2.gz IXJQYPFHHUMPOF-UHFFFAOYSA-N 2 2 251.378 0.670 20 0 CCADLP CC(C)(CNC(=O)[C@H]([NH3+])C1CCC1)[NH+]1CCOCC1 ZINC000399001930 389787587 /nfs/dbraw/zinc/78/75/87/389787587.db2.gz SVZRSNNONIHZSP-GFCCVEGCSA-N 2 2 269.389 0.341 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)NCC(C)(C)[NH3+] ZINC000417015447 389790169 /nfs/dbraw/zinc/79/01/69/389790169.db2.gz MKXDVSFGHKYDDO-UHFFFAOYSA-N 2 2 265.361 0.684 20 0 CCADLP CC[C@H]([NH3+])CNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000417017677 389790380 /nfs/dbraw/zinc/79/03/80/389790380.db2.gz OZJXJWZMATYMFU-NSHDSACASA-N 2 2 265.361 0.684 20 0 CCADLP C[NH2+]C[C@H]1CCCN1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000417043875 389791623 /nfs/dbraw/zinc/79/16/23/389791623.db2.gz YDGLSTUOFNQRDI-CHWSQXEVSA-N 2 2 284.404 0.101 20 0 CCADLP [NH3+][C@H](CNC(=O)NCCCNc1cccc[nH+]1)C1CC1 ZINC000417084267 389794854 /nfs/dbraw/zinc/79/48/54/389794854.db2.gz VXGIUCNAACTZAH-GFCCVEGCSA-N 2 2 277.372 0.920 20 0 CCADLP O=C(NCCCNc1cccc[nH+]1)NC[C@@H]1CCC[NH2+]1 ZINC000417084294 389795131 /nfs/dbraw/zinc/79/51/31/389795131.db2.gz WCFIGDQHLAHREZ-LBPRGKRZSA-N 2 2 277.372 0.935 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@@]2(CCCOC2)O1 ZINC000352348484 389795194 /nfs/dbraw/zinc/79/51/94/389795194.db2.gz AIFBWUQYZCEXCR-FVQBIDKESA-N 2 2 298.427 0.711 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@@]2(CCCOC2)O1 ZINC000352348484 389795197 /nfs/dbraw/zinc/79/51/97/389795197.db2.gz AIFBWUQYZCEXCR-FVQBIDKESA-N 2 2 298.427 0.711 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)C[C@@]2(CCCOC2)O1 ZINC000352348484 389795201 /nfs/dbraw/zinc/79/52/01/389795201.db2.gz AIFBWUQYZCEXCR-FVQBIDKESA-N 2 2 298.427 0.711 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C[C@@]2(CCCOC2)O1 ZINC000352348484 389795205 /nfs/dbraw/zinc/79/52/05/389795205.db2.gz AIFBWUQYZCEXCR-FVQBIDKESA-N 2 2 298.427 0.711 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)CC1 ZINC000183176587 389726787 /nfs/dbraw/zinc/72/67/87/389726787.db2.gz JALBNIPBCSYZMO-INIZCTEOSA-N 3 2 291.443 0.985 20 0 CCADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)CC1 ZINC000183176587 389726789 /nfs/dbraw/zinc/72/67/89/389726789.db2.gz JALBNIPBCSYZMO-INIZCTEOSA-N 3 2 291.443 0.985 20 0 CCADLP C[C@H]1CCCN(C(=O)NCC[NH+]2CCOCC2)[C@H]1C[NH3+] ZINC000416432609 389742455 /nfs/dbraw/zinc/74/24/55/389742455.db2.gz LHYLDPGAXIWBQK-STQMWFEESA-N 2 2 284.404 0.087 20 0 CCADLP COc1coc(C[N@H+](C)C2CC[NH2+]CC2)cc1=O ZINC000430612131 389812999 /nfs/dbraw/zinc/81/29/99/389812999.db2.gz QXCASHNIACRXCY-UHFFFAOYSA-N 2 2 252.314 0.832 20 0 CCADLP COc1coc(C[N@@H+](C)C2CC[NH2+]CC2)cc1=O ZINC000430612131 389813001 /nfs/dbraw/zinc/81/30/01/389813001.db2.gz QXCASHNIACRXCY-UHFFFAOYSA-N 2 2 252.314 0.832 20 0 CCADLP C[C@H](CC[NH3+])NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000417411936 389814174 /nfs/dbraw/zinc/81/41/74/389814174.db2.gz DYNLWDIYOUDSNT-LLVKDONJSA-N 2 2 272.393 0.134 20 0 CCADLP C[C@H](CC[NH3+])NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000417411936 389814176 /nfs/dbraw/zinc/81/41/76/389814176.db2.gz DYNLWDIYOUDSNT-LLVKDONJSA-N 2 2 272.393 0.134 20 0 CCADLP Cc1cnc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cn1 ZINC000352474971 389816813 /nfs/dbraw/zinc/81/68/13/389816813.db2.gz AAWPNTFXSSQOFD-AWEZNQCLSA-N 2 2 261.373 0.265 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCCc2[nH+]ccn21)[NH+]1CCOCC1 ZINC000352496863 389819093 /nfs/dbraw/zinc/81/90/93/389819093.db2.gz AOXXABCPUNXKDA-QWHCGFSZSA-N 2 2 292.383 0.597 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)NCCCC[NH3+] ZINC000417488141 389819960 /nfs/dbraw/zinc/81/99/60/389819960.db2.gz AYIUWEYPLYNTGM-UHFFFAOYSA-N 2 2 272.393 0.135 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)NCCCC[NH3+] ZINC000417488141 389819962 /nfs/dbraw/zinc/81/99/62/389819962.db2.gz AYIUWEYPLYNTGM-UHFFFAOYSA-N 2 2 272.393 0.135 20 0 CCADLP CN(C)c1ccc(CNC(=O)C[C@H]2CCC[NH2+]2)c[nH+]1 ZINC000430747792 389821768 /nfs/dbraw/zinc/82/17/68/389821768.db2.gz AAGQJRUOENTIFW-GFCCVEGCSA-N 2 2 262.357 0.906 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000417506765 389822653 /nfs/dbraw/zinc/82/26/53/389822653.db2.gz OFCANVUBOFVKCX-STQMWFEESA-N 2 2 298.431 0.524 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000417506765 389822657 /nfs/dbraw/zinc/82/26/57/389822657.db2.gz OFCANVUBOFVKCX-STQMWFEESA-N 2 2 298.431 0.524 20 0 CCADLP C[C@@H](C[NH3+])N(C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000417509815 389823373 /nfs/dbraw/zinc/82/33/73/389823373.db2.gz RPGWQSDODIAMLS-NSHDSACASA-N 2 2 272.393 0.086 20 0 CCADLP C[C@@H](C[NH3+])N(C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000417509815 389823378 /nfs/dbraw/zinc/82/33/78/389823378.db2.gz RPGWQSDODIAMLS-NSHDSACASA-N 2 2 272.393 0.086 20 0 CCADLP C[C@@H](NC(=O)N1CC[NH2+][C@@H](C)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000417515463 389824484 /nfs/dbraw/zinc/82/44/84/389824484.db2.gz DIZQVFJLIZWMLD-YNEHKIRRSA-N 2 2 284.404 0.099 20 0 CCADLP C[C@@H](NC(=O)NCCC[NH2+]C1CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000417516078 389825308 /nfs/dbraw/zinc/82/53/08/389825308.db2.gz FZBXSMMPNKGDCV-CHWSQXEVSA-N 2 2 298.431 0.537 20 0 CCADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)C2([NH3+])CCCCC2)CC1 ZINC000430802822 389826841 /nfs/dbraw/zinc/82/68/41/389826841.db2.gz OJEMQWDWWKWGRH-UHFFFAOYSA-N 2 2 296.415 0.056 20 0 CCADLP C[C@H]([NH3+])C1CCN(C(=O)NCC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC000417528824 389826927 /nfs/dbraw/zinc/82/69/27/389826927.db2.gz QBHKNLZEMAEXBD-STQMWFEESA-N 2 2 298.431 0.476 20 0 CCADLP C[C@H]([NH3+])C1CCN(C(=O)NCC[N@H+]2CCOC[C@@H]2C)CC1 ZINC000417528824 389826929 /nfs/dbraw/zinc/82/69/29/389826929.db2.gz QBHKNLZEMAEXBD-STQMWFEESA-N 2 2 298.431 0.476 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC000417526195 389826984 /nfs/dbraw/zinc/82/69/84/389826984.db2.gz MFUBLAYMHZXLLS-RDBSUJKOSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC000417526195 389826987 /nfs/dbraw/zinc/82/69/87/389826987.db2.gz MFUBLAYMHZXLLS-RDBSUJKOSA-N 2 2 298.431 0.476 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000430884824 389831299 /nfs/dbraw/zinc/83/12/99/389831299.db2.gz YCRJLWZNFRXMTE-UKRRQHHQSA-N 2 2 291.395 0.393 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000430884824 389831303 /nfs/dbraw/zinc/83/13/03/389831303.db2.gz YCRJLWZNFRXMTE-UKRRQHHQSA-N 2 2 291.395 0.393 20 0 CCADLP COCC[NH2+]CC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000430900963 389833283 /nfs/dbraw/zinc/83/32/83/389833283.db2.gz QHXXFUFDPNPDBI-UHFFFAOYSA-N 2 2 266.345 0.072 20 0 CCADLP COc1ccc(OC)c(NC(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000430918180 389834206 /nfs/dbraw/zinc/83/42/06/389834206.db2.gz GPYYBMHRLJKVFT-NSHDSACASA-N 2 2 293.367 0.923 20 0 CCADLP COc1ccc(OC)c(NC(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000430918180 389834209 /nfs/dbraw/zinc/83/42/09/389834209.db2.gz GPYYBMHRLJKVFT-NSHDSACASA-N 2 2 293.367 0.923 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000352744542 389836201 /nfs/dbraw/zinc/83/62/01/389836201.db2.gz OVYBNFHBPZBDJW-LBPRGKRZSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000352744542 389836203 /nfs/dbraw/zinc/83/62/03/389836203.db2.gz OVYBNFHBPZBDJW-LBPRGKRZSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430939711 389837437 /nfs/dbraw/zinc/83/74/37/389837437.db2.gz MCKOXFABWKIHAZ-WDEREUQCSA-N 2 2 290.367 0.393 20 0 CCADLP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430939711 389837438 /nfs/dbraw/zinc/83/74/38/389837438.db2.gz MCKOXFABWKIHAZ-WDEREUQCSA-N 2 2 290.367 0.393 20 0 CCADLP COc1coc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1=O ZINC000430963156 389840714 /nfs/dbraw/zinc/84/07/14/389840714.db2.gz SHCLBOVNFPPUKW-GXSJLCMTSA-N 2 2 252.314 0.818 20 0 CCADLP COc1coc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1=O ZINC000430963156 389840718 /nfs/dbraw/zinc/84/07/18/389840718.db2.gz SHCLBOVNFPPUKW-GXSJLCMTSA-N 2 2 252.314 0.818 20 0 CCADLP Cn1cc(C[NH+]2CCN(C(=O)[C@H]3CC[C@H]([NH3+])C3)CC2)cn1 ZINC000431013574 389845157 /nfs/dbraw/zinc/84/51/57/389845157.db2.gz YTXMCKWMWFCRSG-KBPBESRZSA-N 2 2 291.399 0.192 20 0 CCADLP CC[C@H]([NH3+])C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000431043177 389847350 /nfs/dbraw/zinc/84/73/50/389847350.db2.gz OFPVPYJZYDLFOF-QMMMGPOBSA-N 2 2 269.349 0.220 20 0 CCADLP Cn1c2cc(F)ccc2[nH+]c1NCC[NH+]1CCOCC1 ZINC000431038898 389847574 /nfs/dbraw/zinc/84/75/74/389847574.db2.gz UQEZPJOMSDQAKJ-UHFFFAOYSA-N 2 2 278.331 0.878 20 0 CCADLP CC(C)([NH3+])CNC(=O)[C@@H]([NH3+])c1c(F)cccc1F ZINC000417812322 389851358 /nfs/dbraw/zinc/85/13/58/389851358.db2.gz KYTVKGKAVZPSFF-JTQLQIEISA-N 2 2 257.284 0.818 20 0 CCADLP C[C@H]([NH3+])CN1CC[NH+](CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000442659124 389853849 /nfs/dbraw/zinc/85/38/49/389853849.db2.gz KIWHYODSUMYDTF-ILXRZTDVSA-N 2 2 296.459 0.646 20 0 CCADLP COCCc1noc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)n1 ZINC000442763702 389861713 /nfs/dbraw/zinc/86/17/13/389861713.db2.gz JAUGPRHIJNUWHY-VHSXEESVSA-N 2 2 254.334 0.428 20 0 CCADLP COCCc1noc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)n1 ZINC000442763702 389861716 /nfs/dbraw/zinc/86/17/16/389861716.db2.gz JAUGPRHIJNUWHY-VHSXEESVSA-N 2 2 254.334 0.428 20 0 CCADLP C[C@@H](C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)CS(C)(=O)=O ZINC000442773596 389862676 /nfs/dbraw/zinc/86/26/76/389862676.db2.gz XYRMKPJVJXQCML-ACJTYDJDSA-N 2 2 274.430 0.882 20 0 CCADLP C[C@@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)CS(C)(=O)=O ZINC000442773596 389862677 /nfs/dbraw/zinc/86/26/77/389862677.db2.gz XYRMKPJVJXQCML-ACJTYDJDSA-N 2 2 274.430 0.882 20 0 CCADLP Cc1cc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)on1 ZINC000442785427 389863115 /nfs/dbraw/zinc/86/31/15/389863115.db2.gz VTRACPFENDAUDC-GARJFASQSA-N 2 2 266.345 0.979 20 0 CCADLP Cc1cc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)on1 ZINC000442785427 389863116 /nfs/dbraw/zinc/86/31/16/389863116.db2.gz VTRACPFENDAUDC-GARJFASQSA-N 2 2 266.345 0.979 20 0 CCADLP NC(=O)C[N@@H+]1CCc2ccc(NCc3[nH]cc[nH+]3)cc2C1 ZINC000433189895 389904290 /nfs/dbraw/zinc/90/42/90/389904290.db2.gz TXKZXYKTUUFPNX-UHFFFAOYSA-N 2 2 285.351 0.865 20 0 CCADLP NC(=O)C[N@H+]1CCc2ccc(NCc3[nH]cc[nH+]3)cc2C1 ZINC000433189895 389904292 /nfs/dbraw/zinc/90/42/92/389904292.db2.gz TXKZXYKTUUFPNX-UHFFFAOYSA-N 2 2 285.351 0.865 20 0 CCADLP CCCCOC[C@H](O)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000432743809 389887774 /nfs/dbraw/zinc/88/77/74/389887774.db2.gz ZVTZVXAOEDRFBR-CQSZACIVSA-N 2 2 296.415 0.705 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433141229 389901206 /nfs/dbraw/zinc/90/12/06/389901206.db2.gz NASYIJCRJREPNS-CYBMUJFWSA-N 3 2 293.415 0.591 20 0 CCADLP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000419684401 389906176 /nfs/dbraw/zinc/90/61/76/389906176.db2.gz LXXSCRBZCJMXSB-NEPJUHHUSA-N 2 2 295.387 0.022 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@@H](C)S(=O)(=O)C2)n1C ZINC000657640552 413044609 /nfs/dbraw/zinc/04/46/09/413044609.db2.gz YDXJYFMSKTVGIN-MWLCHTKSSA-N 2 2 271.386 0.784 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000447595148 389958722 /nfs/dbraw/zinc/95/87/22/389958722.db2.gz LMQCOHAZHUOSAJ-JSGCOSHPSA-N 3 2 255.406 0.637 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000447595148 389958723 /nfs/dbraw/zinc/95/87/23/389958723.db2.gz LMQCOHAZHUOSAJ-JSGCOSHPSA-N 3 2 255.406 0.637 20 0 CCADLP CC[C@@H](C(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1)[NH+](C)C ZINC000433464917 389915135 /nfs/dbraw/zinc/91/51/35/389915135.db2.gz YMQNPXYLXAFTLQ-QWHCGFSZSA-N 2 2 293.415 0.955 20 0 CCADLP C[N@H+](CCNC(=O)NCC1([NH+]2CCOCC2)CC1)C1CC1 ZINC000433915450 389920990 /nfs/dbraw/zinc/92/09/90/389920990.db2.gz PTOAFYHATMCSBF-UHFFFAOYSA-N 2 2 296.415 0.245 20 0 CCADLP C[N@@H+](CCNC(=O)NCC1([NH+]2CCOCC2)CC1)C1CC1 ZINC000433915450 389920993 /nfs/dbraw/zinc/92/09/93/389920993.db2.gz PTOAFYHATMCSBF-UHFFFAOYSA-N 2 2 296.415 0.245 20 0 CCADLP OC[C@@H]1C[C@H](O)C[N@@H+]1Cc1c[nH+]cn1Cc1ccccc1 ZINC000445779967 389925542 /nfs/dbraw/zinc/92/55/42/389925542.db2.gz FZGPZVMDRFAHGJ-HOCLYGCPSA-N 2 2 287.363 0.859 20 0 CCADLP OC[C@@H]1C[C@H](O)C[N@H+]1Cc1c[nH+]cn1Cc1ccccc1 ZINC000445779967 389925545 /nfs/dbraw/zinc/92/55/45/389925545.db2.gz FZGPZVMDRFAHGJ-HOCLYGCPSA-N 2 2 287.363 0.859 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)NCC1([NH+](C)C)CCC1 ZINC000445982805 389927920 /nfs/dbraw/zinc/92/79/20/389927920.db2.gz OSEQSEGGCJTIBO-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)NCC1([NH+](C)C)CCC1 ZINC000445982805 389927921 /nfs/dbraw/zinc/92/79/21/389927921.db2.gz OSEQSEGGCJTIBO-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CO[C@@]1(C)C[C@@H]([NH2+]CC(=O)N2CC[NH+](C)CC2)C1(C)C ZINC000446969369 389943872 /nfs/dbraw/zinc/94/38/72/389943872.db2.gz JYSSDCXRKREXBY-DOMZBBRYSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@@H]1C[NH+](CC(=O)N2CC[NH+](C)CC2)C[C@@H](CC)O1 ZINC000420946419 390039170 /nfs/dbraw/zinc/03/91/70/390039170.db2.gz BSLBPQSKJJTEMH-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP COC(=O)c1ccccc1NC(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000420287406 389978597 /nfs/dbraw/zinc/97/85/97/389978597.db2.gz GFLLRMOURAEYLR-LLVKDONJSA-N 2 2 291.351 0.692 20 0 CCADLP COC(=O)c1ccccc1NC(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000420287406 389978599 /nfs/dbraw/zinc/97/85/99/389978599.db2.gz GFLLRMOURAEYLR-LLVKDONJSA-N 2 2 291.351 0.692 20 0 CCADLP COC(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000420292219 389979230 /nfs/dbraw/zinc/97/92/30/389979230.db2.gz LOSBBUZBPVHGHH-NSHDSACASA-N 2 2 291.351 0.692 20 0 CCADLP COC(=O)c1ccc(NC(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000420292219 389979233 /nfs/dbraw/zinc/97/92/33/389979233.db2.gz LOSBBUZBPVHGHH-NSHDSACASA-N 2 2 291.351 0.692 20 0 CCADLP C[N@H+](CC(=O)NC[C@H]1Cc2ccccc2O1)C1CC([NH3+])C1 ZINC000420333483 389984545 /nfs/dbraw/zinc/98/45/45/389984545.db2.gz NTSGXXLYCMCMCC-JXQTWKCFSA-N 2 2 289.379 0.528 20 0 CCADLP C[N@@H+](CC(=O)NC[C@H]1Cc2ccccc2O1)C1CC([NH3+])C1 ZINC000420333483 389984546 /nfs/dbraw/zinc/98/45/46/389984546.db2.gz NTSGXXLYCMCMCC-JXQTWKCFSA-N 2 2 289.379 0.528 20 0 CCADLP C[N@H+](CCN1C(=O)NC2(CCCC2)C1=O)C1(C[NH3+])CCC1 ZINC000420332095 389984734 /nfs/dbraw/zinc/98/47/34/389984734.db2.gz RHFIIZSMNXRDGL-UHFFFAOYSA-N 2 2 294.399 0.664 20 0 CCADLP C[N@@H+](CCN1C(=O)NC2(CCCC2)C1=O)C1(C[NH3+])CCC1 ZINC000420332095 389984736 /nfs/dbraw/zinc/98/47/36/389984736.db2.gz RHFIIZSMNXRDGL-UHFFFAOYSA-N 2 2 294.399 0.664 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420351664 389988956 /nfs/dbraw/zinc/98/89/56/389988956.db2.gz ADHUPJDCIGRNBD-UKRRQHHQSA-N 2 2 283.416 0.603 20 0 CCADLP COCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420351664 389988959 /nfs/dbraw/zinc/98/89/59/389988959.db2.gz ADHUPJDCIGRNBD-UKRRQHHQSA-N 2 2 283.416 0.603 20 0 CCADLP CCc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000420353641 389989493 /nfs/dbraw/zinc/98/94/93/389989493.db2.gz NLHLUNLWCQOWLV-SMDDNHRTSA-N 2 2 279.384 0.827 20 0 CCADLP CCc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000420353641 389989494 /nfs/dbraw/zinc/98/94/94/389989494.db2.gz NLHLUNLWCQOWLV-SMDDNHRTSA-N 2 2 279.384 0.827 20 0 CCADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000420356027 389990604 /nfs/dbraw/zinc/99/06/04/389990604.db2.gz QEXDTZXVWJFWEE-STQMWFEESA-N 2 2 279.384 0.882 20 0 CCADLP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+](C)C[C@@H](O)C[NH3+])c1 ZINC000420356027 389990607 /nfs/dbraw/zinc/99/06/07/389990607.db2.gz QEXDTZXVWJFWEE-STQMWFEESA-N 2 2 279.384 0.882 20 0 CCADLP C[N@H+](C[C@H](O)C[NH3+])[C@H]1CCCN(c2ccccc2)C1=O ZINC000420361063 389991306 /nfs/dbraw/zinc/99/13/06/389991306.db2.gz XTOKKYSZOAGBEY-KGLIPLIRSA-N 2 2 277.368 0.433 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH3+])[C@H]1CCCN(c2ccccc2)C1=O ZINC000420361063 389991309 /nfs/dbraw/zinc/99/13/09/389991309.db2.gz XTOKKYSZOAGBEY-KGLIPLIRSA-N 2 2 277.368 0.433 20 0 CCADLP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420358901 389991491 /nfs/dbraw/zinc/99/14/91/389991491.db2.gz VCVCIDPVUWCPFE-UMVBOHGHSA-N 2 2 293.411 0.546 20 0 CCADLP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420358901 389991494 /nfs/dbraw/zinc/99/14/94/389991494.db2.gz VCVCIDPVUWCPFE-UMVBOHGHSA-N 2 2 293.411 0.546 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ncnn1CCF ZINC000440786971 390044684 /nfs/dbraw/zinc/04/46/84/390044684.db2.gz PCHGQXOQNJOKOV-UHFFFAOYSA-N 2 2 266.324 0.966 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ncnn1CCF ZINC000440786971 390044686 /nfs/dbraw/zinc/04/46/86/390044686.db2.gz PCHGQXOQNJOKOV-UHFFFAOYSA-N 2 2 266.324 0.966 20 0 CCADLP CCc1nc(C2([NH2+]CCN3CC[NH2+]CC3)CCCC2)no1 ZINC000420372620 389993969 /nfs/dbraw/zinc/99/39/69/389993969.db2.gz LPHZYGDSDJTSDI-UHFFFAOYSA-N 2 2 293.415 0.896 20 0 CCADLP CC[N@H+]1C[C@H]([NH2+]CCN2CCC(O)CC2)[C@@H](C)C1 ZINC000449650473 389994568 /nfs/dbraw/zinc/99/45/68/389994568.db2.gz ZGUFQDXUKHSLIX-JSGCOSHPSA-N 2 2 255.406 0.373 20 0 CCADLP CC[N@@H+]1C[C@H]([NH2+]CCN2CCC(O)CC2)[C@@H](C)C1 ZINC000449650473 389994570 /nfs/dbraw/zinc/99/45/70/389994570.db2.gz ZGUFQDXUKHSLIX-JSGCOSHPSA-N 2 2 255.406 0.373 20 0 CCADLP CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2noc(C[NH3+])n2)C1 ZINC000420381509 389994921 /nfs/dbraw/zinc/99/49/21/389994921.db2.gz XLYWPBJAKITONA-AWEZNQCLSA-N 2 2 296.371 0.940 20 0 CCADLP CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2noc(C[NH3+])n2)C1 ZINC000420381509 389994923 /nfs/dbraw/zinc/99/49/23/389994923.db2.gz XLYWPBJAKITONA-AWEZNQCLSA-N 2 2 296.371 0.940 20 0 CCADLP COC(=O)CC1(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000440781125 390044896 /nfs/dbraw/zinc/04/48/96/390044896.db2.gz SETWRJVMQDGYTE-AWEZNQCLSA-N 2 2 296.411 0.984 20 0 CCADLP COC(=O)CC1(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000440781125 390044898 /nfs/dbraw/zinc/04/48/98/390044898.db2.gz SETWRJVMQDGYTE-AWEZNQCLSA-N 2 2 296.411 0.984 20 0 CCADLP C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)C[C@H]1C[NH3+] ZINC000420400790 389997006 /nfs/dbraw/zinc/99/70/06/389997006.db2.gz IQGVTIFAGYWMIK-YRGRVCCFSA-N 2 2 291.399 0.442 20 0 CCADLP C[C@@H]1CC[N@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)C[C@H]1C[NH3+] ZINC000420400790 389997008 /nfs/dbraw/zinc/99/70/08/389997008.db2.gz IQGVTIFAGYWMIK-YRGRVCCFSA-N 2 2 291.399 0.442 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420403191 389997729 /nfs/dbraw/zinc/99/77/29/389997729.db2.gz KUFJNOJDCRLIRJ-NWDGAFQWSA-N 2 2 257.378 0.056 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420403191 389997730 /nfs/dbraw/zinc/99/77/30/389997730.db2.gz KUFJNOJDCRLIRJ-NWDGAFQWSA-N 2 2 257.378 0.056 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420406531 389998049 /nfs/dbraw/zinc/99/80/49/389998049.db2.gz UMPJGSUEVWZDOG-UONOGXRCSA-N 2 2 283.416 0.603 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420406531 389998051 /nfs/dbraw/zinc/99/80/51/389998051.db2.gz UMPJGSUEVWZDOG-UONOGXRCSA-N 2 2 283.416 0.603 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](CCO)C[C@@H]1C)[NH+]1CCCCCC1 ZINC000457079619 390027064 /nfs/dbraw/zinc/02/70/64/390027064.db2.gz AHCDIQUWBLQGJX-GJZGRUSLSA-N 2 2 297.443 0.776 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](CCO)C[C@@H]1C)[NH+]1CCCCCC1 ZINC000457079619 390027065 /nfs/dbraw/zinc/02/70/65/390027065.db2.gz AHCDIQUWBLQGJX-GJZGRUSLSA-N 2 2 297.443 0.776 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC000478962694 390081070 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CN1CCC[C@@H]([N@H+](C)CCCn2cc[nH+]c2)C1=O ZINC000537610430 390182747 /nfs/dbraw/zinc/18/27/47/390182747.db2.gz JACWOGQHFIARFT-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP CN1CCC[C@@H]([N@@H+](C)CCCn2cc[nH+]c2)C1=O ZINC000537610430 390182751 /nfs/dbraw/zinc/18/27/51/390182751.db2.gz JACWOGQHFIARFT-GFCCVEGCSA-N 2 2 250.346 0.826 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1Nc1ncnc2c1C[N@H+](C)CC2 ZINC000579573736 390185513 /nfs/dbraw/zinc/18/55/13/390185513.db2.gz SVBLIYIUNGGQIW-MFKMUULPSA-N 2 2 261.373 0.874 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1Nc1ncnc2c1C[N@@H+](C)CC2 ZINC000579573736 390185514 /nfs/dbraw/zinc/18/55/14/390185514.db2.gz SVBLIYIUNGGQIW-MFKMUULPSA-N 2 2 261.373 0.874 20 0 CCADLP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493359640 390123991 /nfs/dbraw/zinc/12/39/91/390123991.db2.gz VNMGXHPYOJBSCU-SNAWJCMRSA-N 2 2 292.383 0.992 20 0 CCADLP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493359640 390123992 /nfs/dbraw/zinc/12/39/92/390123992.db2.gz VNMGXHPYOJBSCU-SNAWJCMRSA-N 2 2 292.383 0.992 20 0 CCADLP C[NH+](C)CCOCCNC(=O)/C=C/c1[nH]cc[nH+]1 ZINC000493827822 390128265 /nfs/dbraw/zinc/12/82/65/390128265.db2.gz UEPWRBGVMVJYHE-ONEGZZNKSA-N 2 2 252.318 0.117 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000534410093 390128846 /nfs/dbraw/zinc/12/88/46/390128846.db2.gz JVBIFODIZQJYNV-VXGBXAGGSA-N 2 2 262.357 0.688 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000534410093 390128847 /nfs/dbraw/zinc/12/88/47/390128847.db2.gz JVBIFODIZQJYNV-VXGBXAGGSA-N 2 2 262.357 0.688 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534579611 390129761 /nfs/dbraw/zinc/12/97/61/390129761.db2.gz XTPANUBTEMPRCI-VHSXEESVSA-N 2 2 279.344 0.054 20 0 CCADLP CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000534579611 390129763 /nfs/dbraw/zinc/12/97/63/390129763.db2.gz XTPANUBTEMPRCI-VHSXEESVSA-N 2 2 279.344 0.054 20 0 CCADLP O=C1C[C@H]([C@H]2CCCC[N@@H+]2CCn2cc[nH+]c2)CN1 ZINC000535026785 390135605 /nfs/dbraw/zinc/13/56/05/390135605.db2.gz AEGFJDSTXRZTDT-QWHCGFSZSA-N 2 2 262.357 0.874 20 0 CCADLP O=C1C[C@H]([C@H]2CCCC[N@H+]2CCn2cc[nH+]c2)CN1 ZINC000535026785 390135607 /nfs/dbraw/zinc/13/56/07/390135607.db2.gz AEGFJDSTXRZTDT-QWHCGFSZSA-N 2 2 262.357 0.874 20 0 CCADLP Cc1[nH]c2ncnc(N3CC[N@@H+](C)C[C@H]3C[NH3+])c2c1C ZINC000647705611 390141818 /nfs/dbraw/zinc/14/18/18/390141818.db2.gz CQMNPYWRJRERIQ-LLVKDONJSA-N 2 2 274.372 0.654 20 0 CCADLP Cc1[nH]c2ncnc(N3CC[N@H+](C)C[C@H]3C[NH3+])c2c1C ZINC000647705611 390141820 /nfs/dbraw/zinc/14/18/20/390141820.db2.gz CQMNPYWRJRERIQ-LLVKDONJSA-N 2 2 274.372 0.654 20 0 CCADLP Cc1ccncc1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000579377520 390169909 /nfs/dbraw/zinc/16/99/09/390169909.db2.gz REAPENMKZIVWNX-STQMWFEESA-N 2 2 260.341 0.134 20 0 CCADLP Cc1ccncc1C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000579377520 390169912 /nfs/dbraw/zinc/16/99/12/390169912.db2.gz REAPENMKZIVWNX-STQMWFEESA-N 2 2 260.341 0.134 20 0 CCADLP CC[N@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)CS(=O)(=O)CC ZINC000647885781 390207902 /nfs/dbraw/zinc/20/79/02/390207902.db2.gz PMSZCGMVNUWLAY-RYUDHWBXSA-N 2 2 262.419 0.741 20 0 CCADLP CC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)CS(=O)(=O)CC ZINC000647885781 390207905 /nfs/dbraw/zinc/20/79/05/390207905.db2.gz PMSZCGMVNUWLAY-RYUDHWBXSA-N 2 2 262.419 0.741 20 0 CCADLP O=S1(=O)CC[C@H](C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000647903734 390212797 /nfs/dbraw/zinc/21/27/97/390212797.db2.gz OWNKHEUAYZVUMX-RDBSUJKOSA-N 2 2 286.441 0.885 20 0 CCADLP O=S1(=O)CC[C@H](C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000647903734 390212802 /nfs/dbraw/zinc/21/28/02/390212802.db2.gz OWNKHEUAYZVUMX-RDBSUJKOSA-N 2 2 286.441 0.885 20 0 CCADLP CCN1CC[N@H+](CCCn2cc[nH+]c2)[C@@H](C)C1=O ZINC000495257303 390229363 /nfs/dbraw/zinc/22/93/63/390229363.db2.gz WAEHPHSCKFMWIJ-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP CCN1CC[N@@H+](CCCn2cc[nH+]c2)[C@@H](C)C1=O ZINC000495257303 390229366 /nfs/dbraw/zinc/22/93/66/390229366.db2.gz WAEHPHSCKFMWIJ-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP CC(C)[NH+]1CCN(c2nc[nH+]c3c2OCCN3)CC1 ZINC000647855182 390193582 /nfs/dbraw/zinc/19/35/82/390193582.db2.gz WLYMXUYTQNKLTH-UHFFFAOYSA-N 2 2 263.345 0.811 20 0 CCADLP C[C@H]([NH3+])[C@@H]1C[N@H+](CCC(=O)NC2CCCC2)CCO1 ZINC000647863435 390196743 /nfs/dbraw/zinc/19/67/43/390196743.db2.gz BRIGNPUHSPAZMV-AAEUAGOBSA-N 2 2 269.389 0.483 20 0 CCADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](CCC(=O)NC2CCCC2)CCO1 ZINC000647863435 390196744 /nfs/dbraw/zinc/19/67/44/390196744.db2.gz BRIGNPUHSPAZMV-AAEUAGOBSA-N 2 2 269.389 0.483 20 0 CCADLP O[C@H](C[NH2+]Cc1cccc2[nH+]ccn21)[C@H]1CCCO1 ZINC000527759284 285365912 /nfs/dbraw/zinc/36/59/12/285365912.db2.gz SFBMCTDSYAVZIQ-CHWSQXEVSA-N 2 2 261.325 0.964 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCN(CC(F)F)CC1 ZINC000647969965 390234833 /nfs/dbraw/zinc/23/48/33/390234833.db2.gz ZUHXIIQEEOWURX-ZDUSSCGKSA-N 2 2 293.402 0.960 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCN(CC(F)F)CC1 ZINC000647969965 390234835 /nfs/dbraw/zinc/23/48/35/390234835.db2.gz ZUHXIIQEEOWURX-ZDUSSCGKSA-N 2 2 293.402 0.960 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000647969965 390234838 /nfs/dbraw/zinc/23/48/38/390234838.db2.gz ZUHXIIQEEOWURX-ZDUSSCGKSA-N 2 2 293.402 0.960 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCN(CC(F)F)CC1 ZINC000647969965 390234840 /nfs/dbraw/zinc/23/48/40/390234840.db2.gz ZUHXIIQEEOWURX-ZDUSSCGKSA-N 2 2 293.402 0.960 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCN2CCCS2(=O)=O)C1 ZINC000543866236 390297356 /nfs/dbraw/zinc/29/73/56/390297356.db2.gz RIYKZWVAVJAXIF-LBPRGKRZSA-N 2 2 298.412 0.245 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCN2CCCS2(=O)=O)C1 ZINC000543866236 390297358 /nfs/dbraw/zinc/29/73/58/390297358.db2.gz RIYKZWVAVJAXIF-LBPRGKRZSA-N 2 2 298.412 0.245 20 0 CCADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCc2ccn(C)n2)C[C@@H](C)O1 ZINC000644622274 390268079 /nfs/dbraw/zinc/26/80/79/390268079.db2.gz IACKIYYDQPISDX-NFAWXSAZSA-N 2 2 296.415 0.022 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000542939168 390277326 /nfs/dbraw/zinc/27/73/26/390277326.db2.gz PEHLBOWHVSRQKX-ZDUSSCGKSA-N 2 2 264.373 0.542 20 0 CCADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000542939168 390277330 /nfs/dbraw/zinc/27/73/30/390277330.db2.gz PEHLBOWHVSRQKX-ZDUSSCGKSA-N 2 2 264.373 0.542 20 0 CCADLP C[C@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)[C@@H]1CCC[NH2+]1 ZINC000583316591 390281961 /nfs/dbraw/zinc/28/19/61/390281961.db2.gz ZPNYNXBLSLSODV-QWRGUYRKSA-N 2 2 277.434 0.434 20 0 CCADLP COCC[NH+]1CCN(c2nc(N)[nH+]c3c2CCCC3)CC1 ZINC000645105565 390371976 /nfs/dbraw/zinc/37/19/76/390371976.db2.gz UQLZUMYBQPHYPA-UHFFFAOYSA-N 2 2 291.399 0.536 20 0 CCADLP CC(C)COC(=O)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000496109334 390301340 /nfs/dbraw/zinc/30/13/40/390301340.db2.gz XPQVYXJYTHDOAX-UHFFFAOYSA-N 2 2 298.431 0.302 20 0 CCADLP [NH3+]C1(C(=O)NCc2c[nH+]c[nH]2)Cc2ccccc2C1 ZINC000648154582 390316193 /nfs/dbraw/zinc/31/61/93/390316193.db2.gz MDISMIBVALRRJK-UHFFFAOYSA-N 2 2 256.309 0.522 20 0 CCADLP [NH3+]C1(C(=O)NCc2c[nH]c[nH+]2)Cc2ccccc2C1 ZINC000648154582 390316194 /nfs/dbraw/zinc/31/61/94/390316194.db2.gz MDISMIBVALRRJK-UHFFFAOYSA-N 2 2 256.309 0.522 20 0 CCADLP C[C@H](C(=O)N[C@@H](C)CCCC[NH3+])[NH+]1CCN(C)CC1 ZINC000583935317 390325412 /nfs/dbraw/zinc/32/54/12/390325412.db2.gz GMSQJRGAIAJPQJ-QWHCGFSZSA-N 2 2 270.421 0.256 20 0 CCADLP C[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)C[NH+]1CCOCC1 ZINC000584004705 390334203 /nfs/dbraw/zinc/33/42/03/390334203.db2.gz SEHHHSOTYVUEIJ-MCIONIFRSA-N 3 2 255.406 0.814 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@@]2(C)CCCS2)[C@H](C[NH3+])C1 ZINC000584400324 390339402 /nfs/dbraw/zinc/33/94/02/390339402.db2.gz YGLYTEOVFUMVEO-DGCLKSJQSA-N 2 2 286.445 0.556 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@@]2(C)CCCS2)[C@H](C[NH3+])C1 ZINC000584400324 390339405 /nfs/dbraw/zinc/33/94/05/390339405.db2.gz YGLYTEOVFUMVEO-DGCLKSJQSA-N 2 2 286.445 0.556 20 0 CCADLP CN(C)c1[nH+]cc(C[NH+]2CCC(OCCCO)CC2)n1C ZINC000644901887 390342506 /nfs/dbraw/zinc/34/25/06/390342506.db2.gz FAVNMAUTZQBHEO-UHFFFAOYSA-N 2 2 296.415 0.850 20 0 CCADLP Cc1cccc2[nH+]c(CCNC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)cn21 ZINC000648211738 390343693 /nfs/dbraw/zinc/34/36/93/390343693.db2.gz ZAMRDOQNAQOYKV-NHAGDIPZSA-N 2 2 284.363 0.767 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000648782870 390408388 /nfs/dbraw/zinc/40/83/88/390408388.db2.gz GLRCMWAPNTUDDA-BFHYXJOUSA-N 2 2 282.432 0.079 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000648782870 390408389 /nfs/dbraw/zinc/40/83/89/390408389.db2.gz GLRCMWAPNTUDDA-BFHYXJOUSA-N 2 2 282.432 0.079 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)Cn1cc[nH+]c1 ZINC000648792722 390410668 /nfs/dbraw/zinc/41/06/68/390410668.db2.gz UYWLQLGBJZVNCA-YNEHKIRRSA-N 2 2 264.373 0.976 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)Cn1cc[nH+]c1 ZINC000648792722 390410670 /nfs/dbraw/zinc/41/06/70/390410670.db2.gz UYWLQLGBJZVNCA-YNEHKIRRSA-N 2 2 264.373 0.976 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCc1ccc[nH+]c1N(C)C ZINC000527953486 285373640 /nfs/dbraw/zinc/37/36/40/285373640.db2.gz RJGMXJMYOLHZQB-UHFFFAOYSA-N 2 2 273.340 0.969 20 0 CCADLP C[C@@H]1[C@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC[N@@H+]1C ZINC000648822416 390416623 /nfs/dbraw/zinc/41/66/23/390416623.db2.gz VQAREJMYYJPFTO-MGPQQGTHSA-N 2 2 281.400 0.260 20 0 CCADLP C[C@@H]1[C@H](C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC000648822416 390416624 /nfs/dbraw/zinc/41/66/24/390416624.db2.gz VQAREJMYYJPFTO-MGPQQGTHSA-N 2 2 281.400 0.260 20 0 CCADLP CC1(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)C[NH2+]C1 ZINC000645396753 390420114 /nfs/dbraw/zinc/42/01/14/390420114.db2.gz CVJNHQZIXKEFKQ-UHFFFAOYSA-N 2 2 290.367 0.144 20 0 CCADLP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000643364451 390435167 /nfs/dbraw/zinc/43/51/67/390435167.db2.gz OKPCENUKRZUQKM-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000643364451 390435169 /nfs/dbraw/zinc/43/51/69/390435169.db2.gz OKPCENUKRZUQKM-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCN2CCNC2=O)CC1 ZINC000519604789 390517229 /nfs/dbraw/zinc/51/72/29/390517229.db2.gz IFMJRYAHKLEKFL-ZDUSSCGKSA-N 2 2 296.415 0.197 20 0 CCADLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCN2CCNC2=O)CC1 ZINC000519604789 390517233 /nfs/dbraw/zinc/51/72/33/390517233.db2.gz IFMJRYAHKLEKFL-ZDUSSCGKSA-N 2 2 296.415 0.197 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000517169622 390488631 /nfs/dbraw/zinc/48/86/31/390488631.db2.gz AJGVUBUENFLHEX-RWMBFGLXSA-N 2 2 292.370 0.903 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000517169622 390488637 /nfs/dbraw/zinc/48/86/37/390488637.db2.gz AJGVUBUENFLHEX-RWMBFGLXSA-N 2 2 292.370 0.903 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000517169622 390488644 /nfs/dbraw/zinc/48/86/44/390488644.db2.gz AJGVUBUENFLHEX-RWMBFGLXSA-N 2 2 292.370 0.903 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000517169622 390488648 /nfs/dbraw/zinc/48/86/48/390488648.db2.gz AJGVUBUENFLHEX-RWMBFGLXSA-N 2 2 292.370 0.903 20 0 CCADLP CC1(C)C[NH2+][C@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000645843380 390508842 /nfs/dbraw/zinc/50/88/42/390508842.db2.gz OGOKAJYJQOTPRG-NSHDSACASA-N 2 2 269.389 0.211 20 0 CCADLP CC1(C)C[NH2+][C@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000645843380 390508846 /nfs/dbraw/zinc/50/88/46/390508846.db2.gz OGOKAJYJQOTPRG-NSHDSACASA-N 2 2 269.389 0.211 20 0 CCADLP COc1cccc(F)c1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000565410873 390510739 /nfs/dbraw/zinc/51/07/39/390510739.db2.gz ZEZKTVZINKEFOI-SNVBAGLBSA-N 2 2 296.346 0.941 20 0 CCADLP COc1cccc(F)c1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000565410873 390510743 /nfs/dbraw/zinc/51/07/43/390510743.db2.gz ZEZKTVZINKEFOI-SNVBAGLBSA-N 2 2 296.346 0.941 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000565491670 390518740 /nfs/dbraw/zinc/51/87/40/390518740.db2.gz MOIBQEAWUUGBHJ-GFCCVEGCSA-N 2 2 294.399 0.815 20 0 CCADLP CO[C@H]1C[C@@H](CN(C)CC[N@@H+]2CCO[C@@H](C)C2)[NH+](C)C1 ZINC000497497619 390456867 /nfs/dbraw/zinc/45/68/67/390456867.db2.gz AFOUXGQJJKIIPJ-KKUMJFAQSA-N 2 2 285.432 0.358 20 0 CCADLP CO[C@H]1C[C@@H](CN(C)CC[N@H+]2CCO[C@@H](C)C2)[NH+](C)C1 ZINC000497497619 390456871 /nfs/dbraw/zinc/45/68/71/390456871.db2.gz AFOUXGQJJKIIPJ-KKUMJFAQSA-N 2 2 285.432 0.358 20 0 CCADLP CO[C@H]1C[C@@H](CN(C)CC[NH+]2CCO[C@@H](C)C2)[N@H+](C)C1 ZINC000497497619 390456876 /nfs/dbraw/zinc/45/68/76/390456876.db2.gz AFOUXGQJJKIIPJ-KKUMJFAQSA-N 2 2 285.432 0.358 20 0 CCADLP CO[C@H]1C[C@@H](CN(C)CC[NH+]2CCO[C@@H](C)C2)[N@@H+](C)C1 ZINC000497497619 390456877 /nfs/dbraw/zinc/45/68/77/390456877.db2.gz AFOUXGQJJKIIPJ-KKUMJFAQSA-N 2 2 285.432 0.358 20 0 CCADLP CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643506943 390456985 /nfs/dbraw/zinc/45/69/85/390456985.db2.gz NGAWYCLDFNKPMB-RYUDHWBXSA-N 2 2 260.403 0.684 20 0 CCADLP CCCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](C)C1 ZINC000649000176 390463888 /nfs/dbraw/zinc/46/38/88/390463888.db2.gz QFCSYXUJFRCCKA-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP CCCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](C)C1 ZINC000649000176 390463890 /nfs/dbraw/zinc/46/38/90/390463890.db2.gz QFCSYXUJFRCCKA-LBPRGKRZSA-N 2 2 250.346 0.826 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1C(C)(C)O ZINC000514795256 390469625 /nfs/dbraw/zinc/46/96/25/390469625.db2.gz BRAVQBILQAEYTC-CHWSQXEVSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1C(C)(C)O ZINC000514795256 390469629 /nfs/dbraw/zinc/46/96/29/390469629.db2.gz BRAVQBILQAEYTC-CHWSQXEVSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1C(C)(C)O ZINC000514795256 390469634 /nfs/dbraw/zinc/46/96/34/390469634.db2.gz BRAVQBILQAEYTC-CHWSQXEVSA-N 2 2 274.405 0.161 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1C(C)(C)O ZINC000514795256 390469638 /nfs/dbraw/zinc/46/96/38/390469638.db2.gz BRAVQBILQAEYTC-CHWSQXEVSA-N 2 2 274.405 0.161 20 0 CCADLP C[C@H](NC(=O)NCC[N@@H+]1CCOC[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000565470365 390516337 /nfs/dbraw/zinc/51/63/37/390516337.db2.gz NFYDFYRHNCUWSO-MELADBBJSA-N 2 2 298.431 0.394 20 0 CCADLP C[C@H](NC(=O)NCC[N@H+]1CCOC[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000565470365 390516339 /nfs/dbraw/zinc/51/63/39/390516339.db2.gz NFYDFYRHNCUWSO-MELADBBJSA-N 2 2 298.431 0.394 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000516634253 390483748 /nfs/dbraw/zinc/48/37/48/390483748.db2.gz LWPGXKKCRWDEQE-MCIONIFRSA-N 2 2 296.415 0.243 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000516634253 390483751 /nfs/dbraw/zinc/48/37/51/390483751.db2.gz LWPGXKKCRWDEQE-MCIONIFRSA-N 2 2 296.415 0.243 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000649320584 390578392 /nfs/dbraw/zinc/57/83/92/390578392.db2.gz MZTBKYSXQLSBNY-SECBINFHSA-N 2 2 255.268 0.995 20 0 CCADLP [NH3+]CCOCC(=O)NCCCCNc1cccc[nH+]1 ZINC000645935227 390534812 /nfs/dbraw/zinc/53/48/12/390534812.db2.gz MQSULKPXMHRSNH-UHFFFAOYSA-N 2 2 266.345 0.365 20 0 CCADLP CNS(=O)(=O)CCC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000519757880 390538342 /nfs/dbraw/zinc/53/83/42/390538342.db2.gz JKQVBZWHOSRPST-NWDGAFQWSA-N 2 2 275.418 0.094 20 0 CCADLP CNS(=O)(=O)CCC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000519757880 390538345 /nfs/dbraw/zinc/53/83/45/390538345.db2.gz JKQVBZWHOSRPST-NWDGAFQWSA-N 2 2 275.418 0.094 20 0 CCADLP CNS(=O)(=O)CCC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000519757880 390538349 /nfs/dbraw/zinc/53/83/49/390538349.db2.gz JKQVBZWHOSRPST-NWDGAFQWSA-N 2 2 275.418 0.094 20 0 CCADLP CNS(=O)(=O)CCC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000519757880 390538350 /nfs/dbraw/zinc/53/83/50/390538350.db2.gz JKQVBZWHOSRPST-NWDGAFQWSA-N 2 2 275.418 0.094 20 0 CCADLP CN(CC[N@H+](C)C1CC1)C(=O)Cc1c[nH+]cn1C ZINC000565734740 390541123 /nfs/dbraw/zinc/54/11/23/390541123.db2.gz DAWZPTZVSBMVTD-UHFFFAOYSA-N 2 2 250.346 0.515 20 0 CCADLP CN(CC[N@@H+](C)C1CC1)C(=O)Cc1c[nH+]cn1C ZINC000565734740 390541127 /nfs/dbraw/zinc/54/11/27/390541127.db2.gz DAWZPTZVSBMVTD-UHFFFAOYSA-N 2 2 250.346 0.515 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000645962173 390551618 /nfs/dbraw/zinc/55/16/18/390551618.db2.gz SEVQOBGWBAUPLP-GFCCVEGCSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000649299737 390560110 /nfs/dbraw/zinc/56/01/10/390560110.db2.gz QKUHFADHCIAZJB-NXEZZACHSA-N 2 2 272.299 0.633 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1[NH2+]CC1(C)C)Cn1cc[nH+]c1 ZINC000649302523 390561212 /nfs/dbraw/zinc/56/12/12/390561212.db2.gz WLDHJDTYEXOMST-WDEREUQCSA-N 2 2 250.346 0.633 20 0 CCADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@H]2CCC[NH2+]2)no1 ZINC000649304208 390564233 /nfs/dbraw/zinc/56/42/33/390564233.db2.gz OZUBTVJIUSRNMU-SECBINFHSA-N 2 2 281.360 0.235 20 0 CCADLP [NH3+]CCOCC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000649306111 390567037 /nfs/dbraw/zinc/56/70/37/390567037.db2.gz AQIOKXWEFNONHD-UHFFFAOYSA-N 2 2 263.341 0.094 20 0 CCADLP C[C@@H](CNC(=O)CC1([NH3+])CCC1)[NH+]1CCN(C)CC1 ZINC000646026942 390575341 /nfs/dbraw/zinc/57/53/41/390575341.db2.gz DQJHHCGXKUSLEF-LBPRGKRZSA-N 2 2 268.405 0.010 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000566508972 390625302 /nfs/dbraw/zinc/62/53/02/390625302.db2.gz NUYDGXVGBZYWCV-SDDRHHMPSA-N 2 2 277.372 0.939 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000566508972 390625303 /nfs/dbraw/zinc/62/53/03/390625303.db2.gz NUYDGXVGBZYWCV-SDDRHHMPSA-N 2 2 277.372 0.939 20 0 CCADLP Cc1cccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])n1 ZINC000566962121 390661576 /nfs/dbraw/zinc/66/15/76/390661576.db2.gz VGJJXSPTUZXAGC-LLVKDONJSA-N 2 2 263.345 0.497 20 0 CCADLP Cc1cccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000566962121 390661578 /nfs/dbraw/zinc/66/15/78/390661578.db2.gz VGJJXSPTUZXAGC-LLVKDONJSA-N 2 2 263.345 0.497 20 0 CCADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@H]2CC[N@H+](C)C2)no1 ZINC000523650698 390639626 /nfs/dbraw/zinc/63/96/26/390639626.db2.gz FZVXVZWFARJPDV-JTQLQIEISA-N 2 2 295.387 0.434 20 0 CCADLP C[NH+](C)Cc1nc(C(C)(C)NC(=O)[C@H]2CC[N@@H+](C)C2)no1 ZINC000523650698 390639630 /nfs/dbraw/zinc/63/96/30/390639630.db2.gz FZVXVZWFARJPDV-JTQLQIEISA-N 2 2 295.387 0.434 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)[C@@H](C[NH3+])C1 ZINC000646234391 390645530 /nfs/dbraw/zinc/64/55/30/390645530.db2.gz XLBQIEKHUAXYFP-LPWJVIDDSA-N 2 2 266.389 0.459 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)[C@@H](C[NH3+])C1 ZINC000646234391 390645535 /nfs/dbraw/zinc/64/55/35/390645535.db2.gz XLBQIEKHUAXYFP-LPWJVIDDSA-N 2 2 266.389 0.459 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@H](F)C2)[C@@H](C[NH3+])C1 ZINC000566854382 390653256 /nfs/dbraw/zinc/65/32/56/390653256.db2.gz LJTXJNXDQYFXJJ-WOPDTQHZSA-N 2 2 257.353 0.616 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2CCC[C@H](F)C2)[C@@H](C[NH3+])C1 ZINC000566854382 390653257 /nfs/dbraw/zinc/65/32/57/390653257.db2.gz LJTXJNXDQYFXJJ-WOPDTQHZSA-N 2 2 257.353 0.616 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000566852783 390653270 /nfs/dbraw/zinc/65/32/70/390653270.db2.gz PYVDADXPFYNHNV-NSHDSACASA-N 2 2 279.369 0.854 20 0 CCADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)CC[NH3+] ZINC000566853768 390653975 /nfs/dbraw/zinc/65/39/75/390653975.db2.gz GYVYUAUDBRYDBL-UHFFFAOYSA-N 2 2 264.329 0.514 20 0 CCADLP CC[N@@H+]1C[C@@H](C)N(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000566874343 390656744 /nfs/dbraw/zinc/65/67/44/390656744.db2.gz PEGBCBFZLAZHSI-VXGBXAGGSA-N 2 2 264.373 0.904 20 0 CCADLP CC[N@H+]1C[C@@H](C)N(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC000566874343 390656747 /nfs/dbraw/zinc/65/67/47/390656747.db2.gz PEGBCBFZLAZHSI-VXGBXAGGSA-N 2 2 264.373 0.904 20 0 CCADLP CC(C)Cn1cc[nH+]c1CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000521050209 390594027 /nfs/dbraw/zinc/59/40/27/390594027.db2.gz DWCOWRIWRFTAOQ-PHIMTYICSA-N 2 2 250.346 0.893 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000646093269 390595860 /nfs/dbraw/zinc/59/58/60/390595860.db2.gz ZDFJXIJCYPFPAX-YNEHKIRRSA-N 2 2 251.374 0.539 20 0 CCADLP C[C@@H](CNC(=O)CC(F)(F)C[NH3+])C[NH+]1CCOCC1 ZINC000566408438 390598243 /nfs/dbraw/zinc/59/82/43/390598243.db2.gz ZXMADAPMZOYPOL-JTQLQIEISA-N 2 2 279.331 0.055 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](OC)[C@H](C)C1 ZINC000566429221 390603023 /nfs/dbraw/zinc/60/30/23/390603023.db2.gz PNSGJNDGGNCUBW-HZSPNIEDSA-N 2 2 274.405 0.282 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](OC)[C@H](C)C1 ZINC000566429221 390603027 /nfs/dbraw/zinc/60/30/27/390603027.db2.gz PNSGJNDGGNCUBW-HZSPNIEDSA-N 2 2 274.405 0.282 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](OC)[C@H](C)C1 ZINC000566429221 390603031 /nfs/dbraw/zinc/60/30/31/390603031.db2.gz PNSGJNDGGNCUBW-HZSPNIEDSA-N 2 2 274.405 0.282 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](OC)[C@H](C)C1 ZINC000566429221 390603033 /nfs/dbraw/zinc/60/30/33/390603033.db2.gz PNSGJNDGGNCUBW-HZSPNIEDSA-N 2 2 274.405 0.282 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000646119058 390607736 /nfs/dbraw/zinc/60/77/36/390607736.db2.gz FRXKZSSYVQTJEA-AWEZNQCLSA-N 2 2 291.399 0.169 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000646119058 390607738 /nfs/dbraw/zinc/60/77/38/390607738.db2.gz FRXKZSSYVQTJEA-AWEZNQCLSA-N 2 2 291.399 0.169 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000566452012 390610969 /nfs/dbraw/zinc/61/09/69/390610969.db2.gz DXXXGAFPIXWPJD-SOUVJXGZSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)N(C)CC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000566452012 390610973 /nfs/dbraw/zinc/61/09/73/390610973.db2.gz DXXXGAFPIXWPJD-SOUVJXGZSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000566452012 390610977 /nfs/dbraw/zinc/61/09/77/390610977.db2.gz DXXXGAFPIXWPJD-SOUVJXGZSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@H]1CC[NH+](CC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000566452012 390610981 /nfs/dbraw/zinc/61/09/81/390610981.db2.gz DXXXGAFPIXWPJD-SOUVJXGZSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)CC2(CCCC2)O1 ZINC000646133007 390613516 /nfs/dbraw/zinc/61/35/16/390613516.db2.gz KPFNSHHNUBPHND-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)CC2(CCCC2)O1 ZINC000646133007 390613520 /nfs/dbraw/zinc/61/35/20/390613520.db2.gz KPFNSHHNUBPHND-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+]1CCC([N@H+](CCO)CC[C@@H]2CCOC2)CC1 ZINC000527356215 390702875 /nfs/dbraw/zinc/70/28/75/390702875.db2.gz QLOIBEBBLMSBRO-CYBMUJFWSA-N 2 2 256.390 0.802 20 0 CCADLP C[NH+]1CCC([N@@H+](CCO)CC[C@@H]2CCOC2)CC1 ZINC000527356215 390702877 /nfs/dbraw/zinc/70/28/77/390702877.db2.gz QLOIBEBBLMSBRO-CYBMUJFWSA-N 2 2 256.390 0.802 20 0 CCADLP O=C(NCC[NH2+]C1CC1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000646686576 390708829 /nfs/dbraw/zinc/70/88/29/390708829.db2.gz FBNOTQMOQRZTNV-AWEZNQCLSA-N 2 2 281.400 0.498 20 0 CCADLP O=C(NCC[NH2+]C1CC1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000646686576 390708831 /nfs/dbraw/zinc/70/88/31/390708831.db2.gz FBNOTQMOQRZTNV-AWEZNQCLSA-N 2 2 281.400 0.498 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000568194861 390712874 /nfs/dbraw/zinc/71/28/74/390712874.db2.gz VLHQMXJNXCMEDV-MNOVXSKESA-N 2 2 261.329 0.990 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)NC(=O)Cc1[nH]c[nH+]c1C ZINC000570823837 390720324 /nfs/dbraw/zinc/72/03/24/390720324.db2.gz MLIHSQUGKQXTGQ-GFCCVEGCSA-N 2 2 282.388 0.470 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)NC(=O)Cc1[nH+]c[nH]c1C ZINC000570823837 390720327 /nfs/dbraw/zinc/72/03/27/390720327.db2.gz MLIHSQUGKQXTGQ-GFCCVEGCSA-N 2 2 282.388 0.470 20 0 CCADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CCOCC1 ZINC000570865762 390722377 /nfs/dbraw/zinc/72/23/77/390722377.db2.gz HAUANZLWTZOBDD-CHWSQXEVSA-N 3 2 255.406 0.957 20 0 CCADLP Cc1[nH]c(CNCC[NH+]2CCC(O)CC2)[nH+]c1C ZINC000566984170 390664446 /nfs/dbraw/zinc/66/44/46/390664446.db2.gz DZENYPCTGJYVQU-UHFFFAOYSA-N 2 2 252.362 0.573 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000567159422 390675490 /nfs/dbraw/zinc/67/54/90/390675490.db2.gz ZBYJUEFXJSYCBR-APIJFGDWSA-N 2 2 297.443 0.990 20 0 CCADLP C[C@@H](CC(=O)NC[C@H]1CCCC[N@@H+]1CCO)n1cc[nH+]c1 ZINC000567241752 390682513 /nfs/dbraw/zinc/68/25/13/390682513.db2.gz IKYQAYQCXQIVGX-UONOGXRCSA-N 2 2 294.399 0.797 20 0 CCADLP C[C@@H](CC(=O)NC[C@H]1CCCC[N@H+]1CCO)n1cc[nH+]c1 ZINC000567241752 390682515 /nfs/dbraw/zinc/68/25/15/390682515.db2.gz IKYQAYQCXQIVGX-UONOGXRCSA-N 2 2 294.399 0.797 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)N[C@@H](c1[nH]cc[nH+]1)C(C)C ZINC000646553916 390692893 /nfs/dbraw/zinc/69/28/93/390692893.db2.gz IZTZIEPGTAPXIM-GXSJLCMTSA-N 2 2 254.334 0.587 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+](CCCO)Cc1ccccn1 ZINC000567363444 390695129 /nfs/dbraw/zinc/69/51/29/390695129.db2.gz GJABOIRTXGEHCU-OAHLLOKOSA-N 2 2 281.400 0.579 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](CCCO)Cc1ccccn1 ZINC000567363444 390695131 /nfs/dbraw/zinc/69/51/31/390695131.db2.gz GJABOIRTXGEHCU-OAHLLOKOSA-N 2 2 281.400 0.579 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](CCCO)Cc1ccccn1 ZINC000567363444 390695132 /nfs/dbraw/zinc/69/51/32/390695132.db2.gz GJABOIRTXGEHCU-OAHLLOKOSA-N 2 2 281.400 0.579 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](CCCO)Cc1ccccn1 ZINC000567363444 390695134 /nfs/dbraw/zinc/69/51/34/390695134.db2.gz GJABOIRTXGEHCU-OAHLLOKOSA-N 2 2 281.400 0.579 20 0 CCADLP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC1=O ZINC000567492629 390701117 /nfs/dbraw/zinc/70/11/17/390701117.db2.gz IUGWPQUIOUGLSI-RFHZTLPTSA-N 2 2 281.400 0.040 20 0 CCADLP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC1=O ZINC000567492629 390701119 /nfs/dbraw/zinc/70/11/19/390701119.db2.gz IUGWPQUIOUGLSI-RFHZTLPTSA-N 2 2 281.400 0.040 20 0 CCADLP Cc1ccc(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c(=O)n1C ZINC000571756001 390751029 /nfs/dbraw/zinc/75/10/29/390751029.db2.gz SMSHQEYJPBZGSW-CQSZACIVSA-N 2 2 279.384 0.238 20 0 CCADLP Cc1ccc(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c(=O)n1C ZINC000571756001 390751033 /nfs/dbraw/zinc/75/10/33/390751033.db2.gz SMSHQEYJPBZGSW-CQSZACIVSA-N 2 2 279.384 0.238 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)nn2)C1 ZINC000646997536 390755676 /nfs/dbraw/zinc/75/56/76/390755676.db2.gz XVXHFGTXESNPPP-GHMZBOCLSA-N 2 2 286.339 0.662 20 0 CCADLP C[C@H]([NH3+])CNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000647021917 390759457 /nfs/dbraw/zinc/75/94/57/390759457.db2.gz MINKDBBMGPKPKH-LBPRGKRZSA-N 2 2 277.368 0.596 20 0 CCADLP CC1(C)C[NH+](CC(=O)NCCCn2cc[nH+]c2)C1 ZINC000572145814 390769698 /nfs/dbraw/zinc/76/96/98/390769698.db2.gz UAZAYMVXGMUMLJ-UHFFFAOYSA-N 2 2 250.346 0.731 20 0 CCADLP CCOC[C@H]1C[N@H+](CCn2cc[nH+]c2C)CCO1 ZINC000528724247 390771159 /nfs/dbraw/zinc/77/11/59/390771159.db2.gz MFTAASUFTXBJGI-CYBMUJFWSA-N 2 2 253.346 0.929 20 0 CCADLP CCOC[C@H]1C[N@@H+](CCn2cc[nH+]c2C)CCO1 ZINC000528724247 390771162 /nfs/dbraw/zinc/77/11/62/390771162.db2.gz MFTAASUFTXBJGI-CYBMUJFWSA-N 2 2 253.346 0.929 20 0 CCADLP CCSCC[C@@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000572346971 390778625 /nfs/dbraw/zinc/77/86/25/390778625.db2.gz JUQDDQRRJZFPOZ-VXGBXAGGSA-N 2 2 288.461 0.802 20 0 CCADLP CCSCC[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000572346971 390778627 /nfs/dbraw/zinc/77/86/27/390778627.db2.gz JUQDDQRRJZFPOZ-VXGBXAGGSA-N 2 2 288.461 0.802 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCC(F)(F)[C@H]1O ZINC000572474060 390784555 /nfs/dbraw/zinc/78/45/55/390784555.db2.gz JPWRMPMAHYTPQM-KXNHARMFSA-N 2 2 278.343 0.892 20 0 CCADLP OC[C@H]1CCCCN1c1cc(N2CCC[NH2+]CC2)nc[nH+]1 ZINC000572741741 390801355 /nfs/dbraw/zinc/80/13/55/390801355.db2.gz ZZDJGUXHRMPKTR-CYBMUJFWSA-N 2 2 291.399 0.628 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)N2CCC[C@@H](C[NH3+])C2)CCO1 ZINC000578121439 390865373 /nfs/dbraw/zinc/86/53/73/390865373.db2.gz FFILIMMKWNAAJX-ZDUSSCGKSA-N 2 2 298.431 0.478 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)N2CCC[C@@H](C[NH3+])C2)CCO1 ZINC000578121439 390865374 /nfs/dbraw/zinc/86/53/74/390865374.db2.gz FFILIMMKWNAAJX-ZDUSSCGKSA-N 2 2 298.431 0.478 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000578319655 390876839 /nfs/dbraw/zinc/87/68/39/390876839.db2.gz DZIHJQKKUGBQJX-CYBMUJFWSA-N 2 2 264.373 0.953 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCCc1cn(C)c[nH+]1 ZINC000578319655 390876843 /nfs/dbraw/zinc/87/68/43/390876843.db2.gz DZIHJQKKUGBQJX-CYBMUJFWSA-N 2 2 264.373 0.953 20 0 CCADLP CCOCC[C@H](O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000572870496 390809037 /nfs/dbraw/zinc/80/90/37/390809037.db2.gz RIHFEEXDVAJNHC-LBPRGKRZSA-N 2 2 270.377 0.363 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H]1CCO[C@@H]1c1cnn(C)c1C ZINC000572982599 390816359 /nfs/dbraw/zinc/81/63/59/390816359.db2.gz YLWVLLPABKFTIC-AEGPPILISA-N 2 2 296.415 0.461 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1CCO[C@@H]1c1cnn(C)c1C ZINC000572982599 390816362 /nfs/dbraw/zinc/81/63/62/390816362.db2.gz YLWVLLPABKFTIC-AEGPPILISA-N 2 2 296.415 0.461 20 0 CCADLP COC[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccco1 ZINC000574906415 390822966 /nfs/dbraw/zinc/82/29/66/390822966.db2.gz BUKZQKCXYKAIBL-NEPJUHHUSA-N 2 2 296.371 0.251 20 0 CCADLP COC[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccco1 ZINC000574906415 390822969 /nfs/dbraw/zinc/82/29/69/390822969.db2.gz BUKZQKCXYKAIBL-NEPJUHHUSA-N 2 2 296.371 0.251 20 0 CCADLP C[C@H]([NH3+])[C@H]1C[N@H+](Cc2ccc(-n3cncn3)cc2)CCO1 ZINC000647508724 390825968 /nfs/dbraw/zinc/82/59/68/390825968.db2.gz ZSHXZTAJJUPGOE-SWLSCSKDSA-N 2 2 287.367 0.815 20 0 CCADLP C[C@H]([NH3+])[C@H]1C[N@@H+](Cc2ccc(-n3cncn3)cc2)CCO1 ZINC000647508724 390825970 /nfs/dbraw/zinc/82/59/70/390825970.db2.gz ZSHXZTAJJUPGOE-SWLSCSKDSA-N 2 2 287.367 0.815 20 0 CCADLP O=C(N1CCCC1)N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000647513650 390827148 /nfs/dbraw/zinc/82/71/48/390827148.db2.gz VFWQXTLWONRWSJ-CQSZACIVSA-N 2 2 280.416 0.819 20 0 CCADLP COC[C@@H](C)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000647519138 390830248 /nfs/dbraw/zinc/83/02/48/390830248.db2.gz KRTMJTNHEQFWEP-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP COC[C@@H](C)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000647519138 390830249 /nfs/dbraw/zinc/83/02/49/390830249.db2.gz KRTMJTNHEQFWEP-QWHCGFSZSA-N 2 2 269.389 0.165 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@H](CO)CC(F)F)C[C@H](C)O1 ZINC000647535208 390834932 /nfs/dbraw/zinc/83/49/32/390834932.db2.gz XBHQTCIRLMXADI-WHOHXGKFSA-N 2 2 296.358 0.062 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@H](CO)CC(F)F)C[C@H](C)O1 ZINC000647535208 390834934 /nfs/dbraw/zinc/83/49/34/390834934.db2.gz XBHQTCIRLMXADI-WHOHXGKFSA-N 2 2 296.358 0.062 20 0 CCADLP COC[C@@]1(C[NH2+]Cc2ccc(N)nc2)CCC[NH2+]1 ZINC000647546782 390839166 /nfs/dbraw/zinc/83/91/66/390839166.db2.gz BATSKBMPOIVZRF-ZDUSSCGKSA-N 2 2 250.346 0.352 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCOC[C@@H]1C1CCC1)C1CC1 ZINC000578440633 390884078 /nfs/dbraw/zinc/88/40/78/390884078.db2.gz CMVBDZTXGWPJLX-HUUCEWRRSA-N 2 2 268.401 0.942 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCOC[C@@H]1C1CCC1)C1CC1 ZINC000578440633 390884079 /nfs/dbraw/zinc/88/40/79/390884079.db2.gz CMVBDZTXGWPJLX-HUUCEWRRSA-N 2 2 268.401 0.942 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCOC[C@@H]1C1CCC1)C1CC1 ZINC000578440633 390884082 /nfs/dbraw/zinc/88/40/82/390884082.db2.gz CMVBDZTXGWPJLX-HUUCEWRRSA-N 2 2 268.401 0.942 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCOC[C@@H]1C1CCC1)C1CC1 ZINC000578440633 390884084 /nfs/dbraw/zinc/88/40/84/390884084.db2.gz CMVBDZTXGWPJLX-HUUCEWRRSA-N 2 2 268.401 0.942 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533866142 390886923 /nfs/dbraw/zinc/88/69/23/390886923.db2.gz QKOGRVBAIHHWSJ-GHMZBOCLSA-N 2 2 250.346 0.686 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533866142 390886924 /nfs/dbraw/zinc/88/69/24/390886924.db2.gz QKOGRVBAIHHWSJ-GHMZBOCLSA-N 2 2 250.346 0.686 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000578638878 390895835 /nfs/dbraw/zinc/89/58/35/390895835.db2.gz LJGJLJKTNTWBNY-QWRGUYRKSA-N 2 2 284.360 0.267 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000578638878 390895837 /nfs/dbraw/zinc/89/58/37/390895837.db2.gz LJGJLJKTNTWBNY-QWRGUYRKSA-N 2 2 284.360 0.267 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000578638878 390895838 /nfs/dbraw/zinc/89/58/38/390895838.db2.gz LJGJLJKTNTWBNY-QWRGUYRKSA-N 2 2 284.360 0.267 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000578638878 390895839 /nfs/dbraw/zinc/89/58/39/390895839.db2.gz LJGJLJKTNTWBNY-QWRGUYRKSA-N 2 2 284.360 0.267 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000578638878 390895841 /nfs/dbraw/zinc/89/58/41/390895841.db2.gz LJGJLJKTNTWBNY-QWRGUYRKSA-N 2 2 284.360 0.267 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000578638878 390895842 /nfs/dbraw/zinc/89/58/42/390895842.db2.gz LJGJLJKTNTWBNY-QWRGUYRKSA-N 2 2 284.360 0.267 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000578638878 390895844 /nfs/dbraw/zinc/89/58/44/390895844.db2.gz LJGJLJKTNTWBNY-QWRGUYRKSA-N 2 2 284.360 0.267 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000578638878 390895845 /nfs/dbraw/zinc/89/58/45/390895845.db2.gz LJGJLJKTNTWBNY-QWRGUYRKSA-N 2 2 284.360 0.267 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000578652531 390896905 /nfs/dbraw/zinc/89/69/05/390896905.db2.gz CHAOGXRGDSIRJL-HOTGVXAUSA-N 3 2 289.423 0.745 20 0 CCADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cncc(F)c1 ZINC000358254268 533426745 /nfs/dbraw/zinc/42/67/45/533426745.db2.gz PISMNGICXREBTL-MFKMUULPSA-N 2 2 253.321 0.938 20 0 CCADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cncc(F)c1 ZINC000358254268 533426750 /nfs/dbraw/zinc/42/67/50/533426750.db2.gz PISMNGICXREBTL-MFKMUULPSA-N 2 2 253.321 0.938 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])C(=O)Nc1ncccn1 ZINC000424333235 533519739 /nfs/dbraw/zinc/51/97/39/533519739.db2.gz LWXSQJIAIYPDNB-GMTAPVOTSA-N 2 2 263.345 0.663 20 0 CCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000423779318 533599017 /nfs/dbraw/zinc/59/90/17/533599017.db2.gz FFTKBSKAOKGKKH-BXUZGUMPSA-N 2 2 297.399 0.210 20 0 CCADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)C(C)(C)n1cncn1 ZINC000453297636 533540936 /nfs/dbraw/zinc/54/09/36/533540936.db2.gz UULLVZAYPMDHNQ-KGLIPLIRSA-N 2 2 295.431 0.838 20 0 CCADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)C(C)(C)n1cncn1 ZINC000453297636 533540941 /nfs/dbraw/zinc/54/09/41/533540941.db2.gz UULLVZAYPMDHNQ-KGLIPLIRSA-N 2 2 295.431 0.838 20 0 CCADLP Nc1cc(CN2CC[NH+](C3CCOCC3)CC2)cc[nH+]1 ZINC000191524159 130249658 /nfs/dbraw/zinc/24/96/58/130249658.db2.gz XJAYUBPFWGLGIV-UHFFFAOYSA-N 2 2 276.384 0.960 20 0 CCADLP COc1ccccc1CNC(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000342129693 130289504 /nfs/dbraw/zinc/28/95/04/130289504.db2.gz HBIBQWXEHZOPMJ-UHFFFAOYSA-N 2 2 277.368 0.782 20 0 CCADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)C(=O)NC(=O)NC(C)(C)C ZINC000342131617 130290460 /nfs/dbraw/zinc/29/04/60/130290460.db2.gz IJOJIXPTERLVRO-SECBINFHSA-N 2 2 270.377 0.470 20 0 CCADLP COCc1cccc(CNC(=O)C[NH2+]CC2([NH3+])CCC2)c1 ZINC000342143792 130334307 /nfs/dbraw/zinc/33/43/07/130334307.db2.gz RAUCUYRHKPXOTN-UHFFFAOYSA-N 2 2 291.395 0.920 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000192095952 130371038 /nfs/dbraw/zinc/37/10/38/130371038.db2.gz XXPKDJVYDJSHQO-VHSXEESVSA-N 2 2 250.346 0.747 20 0 CCADLP C[NH2+]CC(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000237245212 131017174 /nfs/dbraw/zinc/01/71/74/131017174.db2.gz VLQPYXGHXMCIRZ-NSHDSACASA-N 2 2 278.356 0.142 20 0 CCADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1CSC[NH2+]1 ZINC000238084554 131075818 /nfs/dbraw/zinc/07/58/18/131075818.db2.gz LFOMZBNISUPUBZ-LBPRGKRZSA-N 2 2 292.408 0.961 20 0 CCADLP O=C(NCC[N@@H+]1CCc2sccc2C1)[C@@H]1C[NH2+]CCO1 ZINC000238096706 131077285 /nfs/dbraw/zinc/07/72/85/131077285.db2.gz OYRNBZFTWDLLQR-LBPRGKRZSA-N 2 2 295.408 0.211 20 0 CCADLP O=C(NCC[N@H+]1CCc2sccc2C1)[C@@H]1C[NH2+]CCO1 ZINC000238096706 131077288 /nfs/dbraw/zinc/07/72/88/131077288.db2.gz OYRNBZFTWDLLQR-LBPRGKRZSA-N 2 2 295.408 0.211 20 0 CCADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)NC[C@H]1CCCO1 ZINC000250881543 131127643 /nfs/dbraw/zinc/12/76/43/131127643.db2.gz VNYOXODRXIAEFQ-QWHCGFSZSA-N 2 2 269.389 0.485 20 0 CCADLP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)NC[C@H]1CCCO1 ZINC000250881543 131127645 /nfs/dbraw/zinc/12/76/45/131127645.db2.gz VNYOXODRXIAEFQ-QWHCGFSZSA-N 2 2 269.389 0.485 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)NCCOc2ccccc2)CC[C@H]1[NH3+] ZINC000251671029 131130324 /nfs/dbraw/zinc/13/03/24/131130324.db2.gz HJHKNZHSZDUMMK-UKRRQHHQSA-N 2 2 291.395 0.851 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)NCCOc2ccccc2)CC[C@H]1[NH3+] ZINC000251671029 131130326 /nfs/dbraw/zinc/13/03/26/131130326.db2.gz HJHKNZHSZDUMMK-UKRRQHHQSA-N 2 2 291.395 0.851 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC000252960271 131140548 /nfs/dbraw/zinc/14/05/48/131140548.db2.gz NAVQZXOQFBAXQW-IJLUTSLNSA-N 2 2 271.405 0.646 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261832989 131172050 /nfs/dbraw/zinc/17/20/50/131172050.db2.gz UHCIQBWKWUPDPU-GRYCIOLGSA-N 2 2 250.346 0.905 20 0 CCADLP [NH3+]C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000262314121 131210631 /nfs/dbraw/zinc/21/06/31/131210631.db2.gz BWTXFGLOQMCVJH-CQSZACIVSA-N 2 2 286.335 0.672 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000418562411 533671956 /nfs/dbraw/zinc/67/19/56/533671956.db2.gz UCYKCDGQOQQRAN-QWHCGFSZSA-N 2 2 279.388 0.913 20 0 CCADLP C[C@@]1(C(=O)NCc2cn3ccccc3[nH+]2)CC[NH2+]C1 ZINC000269226786 132136573 /nfs/dbraw/zinc/13/65/73/132136573.db2.gz DQPCLFCRNUSZJW-CQSZACIVSA-N 2 2 258.325 0.950 20 0 CCADLP O=C(C[NH2+]C[C@@H]1CCCO1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000269235421 132138944 /nfs/dbraw/zinc/13/89/44/132138944.db2.gz GMFQTDLZQHXSQG-ZDUSSCGKSA-N 2 2 292.383 0.884 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H](C)Cn2cncn2)C1 ZINC000657823754 413064051 /nfs/dbraw/zinc/06/40/51/413064051.db2.gz AZVSZCQGYKYBLX-KGLIPLIRSA-N 2 2 281.404 0.613 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H](C)Cn2cncn2)C1 ZINC000657823754 413064058 /nfs/dbraw/zinc/06/40/58/413064058.db2.gz AZVSZCQGYKYBLX-KGLIPLIRSA-N 2 2 281.404 0.613 20 0 CCADLP COC[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000657880093 413070634 /nfs/dbraw/zinc/07/06/34/413070634.db2.gz OHGSSIKJILBPQU-HZPDHXFCSA-N 2 2 299.459 0.654 20 0 CCADLP COC[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000657880093 413070639 /nfs/dbraw/zinc/07/06/39/413070639.db2.gz OHGSSIKJILBPQU-HZPDHXFCSA-N 2 2 299.459 0.654 20 0 CCADLP COCCn1cc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cn1 ZINC000530179784 285557872 /nfs/dbraw/zinc/55/78/72/285557872.db2.gz XGOQTPIWYNDMCO-ZDUSSCGKSA-N 2 2 264.373 0.904 20 0 CCADLP C[C@H](Cn1cncn1)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000657898959 413073624 /nfs/dbraw/zinc/07/36/24/413073624.db2.gz SCECPRARYVJEDU-VXGBXAGGSA-N 2 2 269.418 0.694 20 0 CCADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000685442561 545819792 /nfs/dbraw/zinc/81/97/92/545819792.db2.gz FXYBSVVVYTYVBR-HUUCEWRRSA-N 2 2 288.351 0.767 20 0 CCADLP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@@H]1COC[C@H]1O ZINC000685442561 545819799 /nfs/dbraw/zinc/81/97/99/545819799.db2.gz FXYBSVVVYTYVBR-HUUCEWRRSA-N 2 2 288.351 0.767 20 0 CCADLP CCCNC(=O)C1CC[NH+](C[C@H](O)C[N@H+](C)CC)CC1 ZINC000575119810 335068767 /nfs/dbraw/zinc/06/87/67/335068767.db2.gz QHYGUBMHFSYLHK-CQSZACIVSA-N 2 2 285.432 0.537 20 0 CCADLP CCCNC(=O)C1CC[NH+](C[C@H](O)C[N@@H+](C)CC)CC1 ZINC000575119810 335068768 /nfs/dbraw/zinc/06/87/68/335068768.db2.gz QHYGUBMHFSYLHK-CQSZACIVSA-N 2 2 285.432 0.537 20 0 CCADLP COCc1n[nH]c(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)n1 ZINC000658157688 413108490 /nfs/dbraw/zinc/10/84/90/413108490.db2.gz UPCCQKMLPHACDG-IJLUTSLNSA-N 2 2 279.388 0.914 20 0 CCADLP COCc1n[nH]c(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)n1 ZINC000658157688 413108494 /nfs/dbraw/zinc/10/84/94/413108494.db2.gz UPCCQKMLPHACDG-IJLUTSLNSA-N 2 2 279.388 0.914 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)C(C)C ZINC000356763790 144030883 /nfs/dbraw/zinc/03/08/83/144030883.db2.gz JCWHWAFHEUFLRK-QWHCGFSZSA-N 2 2 271.405 0.552 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)C(C)C ZINC000356763790 144030885 /nfs/dbraw/zinc/03/08/85/144030885.db2.gz JCWHWAFHEUFLRK-QWHCGFSZSA-N 2 2 271.405 0.552 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000356763790 144030886 /nfs/dbraw/zinc/03/08/86/144030886.db2.gz JCWHWAFHEUFLRK-QWHCGFSZSA-N 2 2 271.405 0.552 20 0 CCADLP CC[NH+]1CCOC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000356763790 144030888 /nfs/dbraw/zinc/03/08/88/144030888.db2.gz JCWHWAFHEUFLRK-QWHCGFSZSA-N 2 2 271.405 0.552 20 0 CCADLP CCO[C@H](C)c1noc(C[N@H+](C)CCOCC[NH3+])n1 ZINC000357080696 144057635 /nfs/dbraw/zinc/05/76/35/144057635.db2.gz UWIQDMDMPVZSOJ-SNVBAGLBSA-N 2 2 272.349 0.574 20 0 CCADLP CCO[C@H](C)c1noc(C[N@@H+](C)CCOCC[NH3+])n1 ZINC000357080696 144057638 /nfs/dbraw/zinc/05/76/38/144057638.db2.gz UWIQDMDMPVZSOJ-SNVBAGLBSA-N 2 2 272.349 0.574 20 0 CCADLP C(c1nnnn1C1CC1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357086475 144059343 /nfs/dbraw/zinc/05/93/43/144059343.db2.gz LWPUWWVLQYIOHG-LBPRGKRZSA-N 2 2 276.388 0.830 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000357301903 144080019 /nfs/dbraw/zinc/08/00/19/144080019.db2.gz LBQKQBLOGNSQIU-UHFFFAOYSA-N 2 2 276.384 0.907 20 0 CCADLP Cc1ccc(NC(=O)C(=O)N(C)CC2C[NH+](C)C2)c(C)[nH+]1 ZINC000658540156 413163920 /nfs/dbraw/zinc/16/39/20/413163920.db2.gz PVGSBIVTZXVUER-UHFFFAOYSA-N 2 2 290.367 0.657 20 0 CCADLP C[C@@H](C(=O)NC1CC([NH+]2CCCCC2)C1)[NH+]1CCOCC1 ZINC000357898120 144131201 /nfs/dbraw/zinc/13/12/01/144131201.db2.gz KTNZHQWGPZJTDU-NFOMZHRRSA-N 2 2 295.427 0.840 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)N[C@H](C)C[NH+](C)C)CCO1 ZINC000358524333 144158128 /nfs/dbraw/zinc/15/81/28/144158128.db2.gz UMWGZPYKVXUEKV-OLZOCXBDSA-N 2 2 286.420 0.347 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)N[C@H](C)C[NH+](C)C)CCO1 ZINC000358524333 144158129 /nfs/dbraw/zinc/15/81/29/144158129.db2.gz UMWGZPYKVXUEKV-OLZOCXBDSA-N 2 2 286.420 0.347 20 0 CCADLP COCCn1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cn1 ZINC000368687872 144239969 /nfs/dbraw/zinc/23/99/69/144239969.db2.gz MHHOEDVGCQYPKN-GFCCVEGCSA-N 2 2 275.356 0.900 20 0 CCADLP COCCn1cc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cn1 ZINC000368687872 144239970 /nfs/dbraw/zinc/23/99/70/144239970.db2.gz MHHOEDVGCQYPKN-GFCCVEGCSA-N 2 2 275.356 0.900 20 0 CCADLP Cn1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000369273839 144261140 /nfs/dbraw/zinc/26/11/40/144261140.db2.gz KAKOLBDCQQFOLN-CYBMUJFWSA-N 2 2 291.399 0.318 20 0 CCADLP Cn1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000369273839 144261142 /nfs/dbraw/zinc/26/11/42/144261142.db2.gz KAKOLBDCQQFOLN-CYBMUJFWSA-N 2 2 291.399 0.318 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccon3)C2)CC1 ZINC000369277669 144261379 /nfs/dbraw/zinc/26/13/79/144261379.db2.gz MPJFIKDDHZZSPM-LLVKDONJSA-N 2 2 278.356 0.573 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccon3)C2)CC1 ZINC000369277669 144261381 /nfs/dbraw/zinc/26/13/81/144261381.db2.gz MPJFIKDDHZZSPM-LLVKDONJSA-N 2 2 278.356 0.573 20 0 CCADLP C[C@@H]1C[N@H+](Cc2ccn(C)n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370705236 144313018 /nfs/dbraw/zinc/31/30/18/144313018.db2.gz FOHGSZWSFLJKAE-ZBFHGGJFSA-N 2 2 291.443 0.878 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2ccn(C)n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370705236 144313019 /nfs/dbraw/zinc/31/30/19/144313019.db2.gz FOHGSZWSFLJKAE-ZBFHGGJFSA-N 2 2 291.443 0.878 20 0 CCADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC(N)=O ZINC000371153148 144320018 /nfs/dbraw/zinc/32/00/18/144320018.db2.gz AOCFAUBVPKVBFG-UHFFFAOYSA-N 3 2 296.459 0.600 20 0 CCADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC(N)=O ZINC000371153148 144320019 /nfs/dbraw/zinc/32/00/19/144320019.db2.gz AOCFAUBVPKVBFG-UHFFFAOYSA-N 3 2 296.459 0.600 20 0 CCADLP C[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)o1)C[NH+](C)C ZINC000381301721 397487166 /nfs/dbraw/zinc/48/71/66/397487166.db2.gz FIPUJQGMGYPQAW-VIFPVBQESA-N 2 2 275.374 0.214 20 0 CCADLP COC(=O)C1(O)CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000371465103 144332146 /nfs/dbraw/zinc/33/21/46/144332146.db2.gz ZOOJCPKHODOHGM-CYBMUJFWSA-N 2 2 284.400 0.861 20 0 CCADLP COC(=O)C1(O)CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000371465103 144332147 /nfs/dbraw/zinc/33/21/47/144332147.db2.gz ZOOJCPKHODOHGM-CYBMUJFWSA-N 2 2 284.400 0.861 20 0 CCADLP CC(C)(CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2)[NH+]1CCOCC1 ZINC000372423142 144366704 /nfs/dbraw/zinc/36/67/04/144366704.db2.gz VVRJJNLOMZMVIZ-IUODEOHRSA-N 2 2 281.400 0.213 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCCCO)C2)CC1 ZINC000373273290 144399791 /nfs/dbraw/zinc/39/97/91/144399791.db2.gz WOBPLUHIUIDTMM-ZDUSSCGKSA-N 2 2 298.431 0.227 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCCCO)C2)CC1 ZINC000373273290 144399792 /nfs/dbraw/zinc/39/97/92/144399792.db2.gz WOBPLUHIUIDTMM-ZDUSSCGKSA-N 2 2 298.431 0.227 20 0 CCADLP CCn1cc[nH+]c1CN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649686385 397656227 /nfs/dbraw/zinc/65/62/27/397656227.db2.gz FWYCGUKHKJRMQF-UHFFFAOYSA-N 2 2 279.388 0.109 20 0 CCADLP CC[C@@H]1C[N@H+](CC(=O)Nc2cc(C)nn2C)CC[C@H]1[NH3+] ZINC000649416938 397609276 /nfs/dbraw/zinc/60/92/76/397609276.db2.gz QVUFXFIDKPKPTJ-VXGBXAGGSA-N 2 2 279.388 0.726 20 0 CCADLP CC[C@@H]1C[N@@H+](CC(=O)Nc2cc(C)nn2C)CC[C@H]1[NH3+] ZINC000649416938 397609277 /nfs/dbraw/zinc/60/92/77/397609277.db2.gz QVUFXFIDKPKPTJ-VXGBXAGGSA-N 2 2 279.388 0.726 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](CCc2ccccn2)CC1=O ZINC000649688489 397656955 /nfs/dbraw/zinc/65/69/55/397656955.db2.gz DZFVKGUZRUMIBR-UHFFFAOYSA-N 2 2 276.384 0.330 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](CCc2ccccn2)CC1=O ZINC000649688489 397656958 /nfs/dbraw/zinc/65/69/58/397656958.db2.gz DZFVKGUZRUMIBR-UHFFFAOYSA-N 2 2 276.384 0.330 20 0 CCADLP CC(C)Oc1cc[nH+]c(CN2CC[NH+](CCO)CC2)c1 ZINC000649481789 397619011 /nfs/dbraw/zinc/61/90/11/397619011.db2.gz SHPMLSCSGFKUQL-UHFFFAOYSA-N 2 2 279.384 0.979 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000650595791 397735169 /nfs/dbraw/zinc/73/51/69/397735169.db2.gz NLDMLZHWGLZAKX-AWEZNQCLSA-N 2 2 294.399 0.626 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000650595791 397735171 /nfs/dbraw/zinc/73/51/71/397735171.db2.gz NLDMLZHWGLZAKX-AWEZNQCLSA-N 2 2 294.399 0.626 20 0 CCADLP C[C@@H](CO)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000649803919 397669856 /nfs/dbraw/zinc/66/98/56/397669856.db2.gz SHTLQPNHZSNNQP-ZDUSSCGKSA-N 2 2 283.416 0.101 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C2(CCC2)CO1 ZINC000649824904 397671034 /nfs/dbraw/zinc/67/10/34/397671034.db2.gz OHCYBHOWVVWEGG-CYBMUJFWSA-N 2 2 281.400 0.404 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C2(CCC2)CO1 ZINC000649824904 397671036 /nfs/dbraw/zinc/67/10/36/397671036.db2.gz OHCYBHOWVVWEGG-CYBMUJFWSA-N 2 2 281.400 0.404 20 0 CCADLP Cc1[nH+]cc2n1C[C@@H](C(=O)NCCn1cc[nH+]c1)CC2 ZINC000651100809 397826833 /nfs/dbraw/zinc/82/68/33/397826833.db2.gz XVDYFILMANYWQJ-LBPRGKRZSA-N 2 2 273.340 0.767 20 0 CCADLP C[N@@H+](CC(=O)N[C@H]1CCn2cc[nH+]c2C1)[C@H]1CCSC1 ZINC000548311784 286025510 /nfs/dbraw/zinc/02/55/10/286025510.db2.gz DJCZATCTVGEZRM-RYUDHWBXSA-N 2 2 294.424 0.751 20 0 CCADLP C[N@H+](CC(=O)N[C@H]1CCn2cc[nH+]c2C1)[C@H]1CCSC1 ZINC000548311784 286025508 /nfs/dbraw/zinc/02/55/08/286025508.db2.gz DJCZATCTVGEZRM-RYUDHWBXSA-N 2 2 294.424 0.751 20 0 CCADLP C[C@H]1CC[N@H+](CCNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000548909071 286079076 /nfs/dbraw/zinc/07/90/76/286079076.db2.gz BAUDQEDQPCYBHW-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@H]1CC[N@@H+](CCNC(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC000548909071 286079077 /nfs/dbraw/zinc/07/90/77/286079077.db2.gz BAUDQEDQPCYBHW-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261588482 289350631 /nfs/dbraw/zinc/35/06/31/289350631.db2.gz KFSMSUODEJKJGE-UTINFBMNSA-N 2 2 279.306 0.723 20 0 CCADLP C[C@H](C(=O)NCC(F)(F)F)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261588482 289350632 /nfs/dbraw/zinc/35/06/32/289350632.db2.gz KFSMSUODEJKJGE-UTINFBMNSA-N 2 2 279.306 0.723 20 0 CCADLP COCCC[N@H+](C)CC[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000495040339 292338808 /nfs/dbraw/zinc/33/88/08/292338808.db2.gz FHUXWYQDRXKJOI-GFCCVEGCSA-N 2 2 271.405 0.602 20 0 CCADLP COCCC[N@@H+](C)CC[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000495040339 292338810 /nfs/dbraw/zinc/33/88/10/292338810.db2.gz FHUXWYQDRXKJOI-GFCCVEGCSA-N 2 2 271.405 0.602 20 0 CCADLP COCCC[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000361219888 292382146 /nfs/dbraw/zinc/38/21/46/292382146.db2.gz HMLHEDBHYGWSQQ-QWHCGFSZSA-N 2 2 271.405 0.731 20 0 CCADLP COCCC[C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000361219888 292382149 /nfs/dbraw/zinc/38/21/49/292382149.db2.gz HMLHEDBHYGWSQQ-QWHCGFSZSA-N 2 2 271.405 0.731 20 0 CCADLP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000659294234 413384134 /nfs/dbraw/zinc/38/41/34/413384134.db2.gz JANJEZCSNUYXKE-ZDUSSCGKSA-N 2 2 277.368 0.875 20 0 CCADLP CC[C@@H](C(=O)NCC(C)(C)[NH+]1CCOCC1)[NH+](C)C ZINC000124518256 286737389 /nfs/dbraw/zinc/73/73/89/286737389.db2.gz NQEGBHSIAOKSMW-LBPRGKRZSA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423158567 286840064 /nfs/dbraw/zinc/84/00/64/286840064.db2.gz OEZYRKVIEDGUQC-GRYCIOLGSA-N 2 2 277.434 0.434 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000049235200 411670962 /nfs/dbraw/zinc/67/09/62/411670962.db2.gz YRZAHBOGLJXMNV-QWHCGFSZSA-N 3 2 252.362 0.318 20 0 CCADLP CC(C)([NH3+])CCC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000070088049 411690853 /nfs/dbraw/zinc/69/08/53/411690853.db2.gz JZQLGKGJDXCXCQ-UHFFFAOYSA-N 2 2 271.405 0.731 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)c1ccccc1CC[NH3+] ZINC000070542374 411692371 /nfs/dbraw/zinc/69/23/71/411692371.db2.gz XPVSFFLCHBYRPB-UHFFFAOYSA-N 2 2 258.325 0.851 20 0 CCADLP CC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H]1CCCOC1 ZINC000402707916 411783541 /nfs/dbraw/zinc/78/35/41/411783541.db2.gz RCOBJQKUTNGVAX-ZIAGYGMSSA-N 2 2 256.390 0.942 20 0 CCADLP CC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H]1CCCOC1 ZINC000402707916 411783544 /nfs/dbraw/zinc/78/35/44/411783544.db2.gz RCOBJQKUTNGVAX-ZIAGYGMSSA-N 2 2 256.390 0.942 20 0 CCADLP CC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@@H]1CCCOC1 ZINC000402707916 411783547 /nfs/dbraw/zinc/78/35/47/411783547.db2.gz RCOBJQKUTNGVAX-ZIAGYGMSSA-N 2 2 256.390 0.942 20 0 CCADLP CC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCCOC1 ZINC000402707916 411783552 /nfs/dbraw/zinc/78/35/52/411783552.db2.gz RCOBJQKUTNGVAX-ZIAGYGMSSA-N 2 2 256.390 0.942 20 0 CCADLP C[C@@H]1CCC[N@H+](Cc2nc(N)nc(N(C)C)n2)[C@H]1CC[NH3+] ZINC000404367430 411795608 /nfs/dbraw/zinc/79/56/08/411795608.db2.gz PXFKPEOSZFNKGW-MNOVXSKESA-N 2 2 293.419 0.299 20 0 CCADLP C[C@@H]1CCC[N@@H+](Cc2nc(N)nc(N(C)C)n2)[C@H]1CC[NH3+] ZINC000404367430 411795610 /nfs/dbraw/zinc/79/56/10/411795610.db2.gz PXFKPEOSZFNKGW-MNOVXSKESA-N 2 2 293.419 0.299 20 0 CCADLP CCO[C@@H]1C[N@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000405227209 411799959 /nfs/dbraw/zinc/79/99/59/411799959.db2.gz UADGLKZVEHAXKN-MGPQQGTHSA-N 2 2 283.416 0.541 20 0 CCADLP CCO[C@@H]1C[N@@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000405227209 411799963 /nfs/dbraw/zinc/79/99/63/411799963.db2.gz UADGLKZVEHAXKN-MGPQQGTHSA-N 2 2 283.416 0.541 20 0 CCADLP O[C@@H]1CC[N@@H+](C2CN(c3cc[nH+]c4ccncc43)C2)C1 ZINC000651451255 411877501 /nfs/dbraw/zinc/87/75/01/411877501.db2.gz LGFHVFVTFPERJI-GFCCVEGCSA-N 2 2 270.336 0.885 20 0 CCADLP O[C@@H]1CC[N@H+](C2CN(c3cc[nH+]c4ccncc43)C2)C1 ZINC000651451255 411877505 /nfs/dbraw/zinc/87/75/05/411877505.db2.gz LGFHVFVTFPERJI-GFCCVEGCSA-N 2 2 270.336 0.885 20 0 CCADLP Cc1ccc2[nH+]c(CN3CC([N@@H+]4CC[C@@H](O)C4)C3)cn2c1 ZINC000651977699 411971027 /nfs/dbraw/zinc/97/10/27/411971027.db2.gz XPDZDTVMZGNVDO-OAHLLOKOSA-N 2 2 286.379 0.894 20 0 CCADLP Cc1ccc2[nH+]c(CN3CC([N@H+]4CC[C@@H](O)C4)C3)cn2c1 ZINC000651977699 411971029 /nfs/dbraw/zinc/97/10/29/411971029.db2.gz XPDZDTVMZGNVDO-OAHLLOKOSA-N 2 2 286.379 0.894 20 0 CCADLP CCN1C[C@@H](C[NH2+]Cc2c[nH+]c(N(C)C)n2C)CC1=O ZINC000651999841 411973398 /nfs/dbraw/zinc/97/33/98/411973398.db2.gz UBPOZWOPGGLJQX-LLVKDONJSA-N 2 2 279.388 0.444 20 0 CCADLP O=C(NCCC1CC[NH2+]CC1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000652193270 412000741 /nfs/dbraw/zinc/00/07/41/412000741.db2.gz BWHNFFYZFALUOF-GFCCVEGCSA-N 2 2 291.399 0.956 20 0 CCADLP O=C(NCCC1CC[NH2+]CC1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000652193270 412000744 /nfs/dbraw/zinc/00/07/44/412000744.db2.gz BWHNFFYZFALUOF-GFCCVEGCSA-N 2 2 291.399 0.956 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000652446845 412055751 /nfs/dbraw/zinc/05/57/51/412055751.db2.gz BIWTVRMJVIJMGH-GFCCVEGCSA-N 2 2 276.384 0.972 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000652446845 412055756 /nfs/dbraw/zinc/05/57/56/412055756.db2.gz BIWTVRMJVIJMGH-GFCCVEGCSA-N 2 2 276.384 0.972 20 0 CCADLP C[C@H](NC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000652464023 412058358 /nfs/dbraw/zinc/05/83/58/412058358.db2.gz GTVUFHDVCLVUES-RFQIPJPRSA-N 2 2 298.431 0.440 20 0 CCADLP C[C@H](NC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1)[C@H]1C[NH+](C)CCO1 ZINC000652464023 412058362 /nfs/dbraw/zinc/05/83/62/412058362.db2.gz GTVUFHDVCLVUES-RFQIPJPRSA-N 2 2 298.431 0.440 20 0 CCADLP C[C@H](NC(=O)N1C[C@@H](C)[NH+](C)[C@@H](C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000652464023 412058368 /nfs/dbraw/zinc/05/83/68/412058368.db2.gz GTVUFHDVCLVUES-RFQIPJPRSA-N 2 2 298.431 0.440 20 0 CCADLP C[C@H](NC(=O)N1C[C@@H](C)[NH+](C)[C@@H](C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000652464023 412058371 /nfs/dbraw/zinc/05/83/71/412058371.db2.gz GTVUFHDVCLVUES-RFQIPJPRSA-N 2 2 298.431 0.440 20 0 CCADLP COc1ccc(CCNC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1 ZINC000653056848 412203383 /nfs/dbraw/zinc/20/33/83/412203383.db2.gz AGCKIRSEDRUWKD-CQSZACIVSA-N 2 2 279.384 0.633 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CCO1 ZINC000653056200 412204288 /nfs/dbraw/zinc/20/42/88/412204288.db2.gz YCYRGDLWALDSSJ-YPMHNXCESA-N 2 2 292.383 0.337 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1ccc2c(c1)OCCO2 ZINC000653058819 412205803 /nfs/dbraw/zinc/20/58/03/412205803.db2.gz HIMJJEDZFQTFAM-GFCCVEGCSA-N 2 2 293.367 0.353 20 0 CCADLP COc1ccccc1CN(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653058098 412206332 /nfs/dbraw/zinc/20/63/32/412206332.db2.gz DMJJJTJXXKZXKT-ZDUSSCGKSA-N 2 2 279.384 0.933 20 0 CCADLP C[C@@H](O)CN(Cc1ccccc1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653074014 412210352 /nfs/dbraw/zinc/21/03/52/412210352.db2.gz WJFAYUAUNZLUQT-UKRRQHHQSA-N 2 2 293.411 0.675 20 0 CCADLP C[C@@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)Oc1ccccc1 ZINC000653074044 412210404 /nfs/dbraw/zinc/21/04/04/412210404.db2.gz XLRABTZPLNPZIC-GXTWGEPZSA-N 2 2 279.384 0.849 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1Cc2ccccc21 ZINC000653074486 412210736 /nfs/dbraw/zinc/21/07/36/412210736.db2.gz JJVOIVHHIVUARX-GXTWGEPZSA-N 2 2 261.369 0.722 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCc2ccc(F)cc21 ZINC000653082542 412211404 /nfs/dbraw/zinc/21/14/04/412211404.db2.gz YLLHJMIIUPILLD-LBPRGKRZSA-N 2 2 265.332 0.994 20 0 CCADLP Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)CO2 ZINC000653098404 412216841 /nfs/dbraw/zinc/21/68/41/412216841.db2.gz MMIUJNNNWJKVEN-STQMWFEESA-N 2 2 277.368 0.824 20 0 CCADLP CC(C)[C@@H]1OCCC[C@H]1CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653101714 412218431 /nfs/dbraw/zinc/21/84/31/412218431.db2.gz DQJDLFVVFYLQEH-IHRRRGAJSA-N 2 2 285.432 0.833 20 0 CCADLP Cn1c(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)nc2ccccc21 ZINC000653107015 412220116 /nfs/dbraw/zinc/22/01/16/412220116.db2.gz UTWCYJQNIWXKFA-NSHDSACASA-N 2 2 289.383 0.469 20 0 CCADLP O=C(NCc1cn2ccccc2[nH+]1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653105745 412220156 /nfs/dbraw/zinc/22/01/56/412220156.db2.gz IKCTUPHODYYDHI-NHYWBVRUSA-N 2 2 286.335 0.187 20 0 CCADLP CN(C)c1cccc(CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1 ZINC000653108322 412222299 /nfs/dbraw/zinc/22/22/99/412222299.db2.gz SGYBXKXXHGHCPW-AWEZNQCLSA-N 2 2 278.400 0.648 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653111593 412224699 /nfs/dbraw/zinc/22/46/99/412224699.db2.gz UGBAXYWSONOUBZ-VXGBXAGGSA-N 2 2 250.346 0.778 20 0 CCADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653113132 412226242 /nfs/dbraw/zinc/22/62/42/412226242.db2.gz UFTSNAMLAYLAGR-RDBSUJKOSA-N 3 2 284.448 0.502 20 0 CCADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653113132 412226245 /nfs/dbraw/zinc/22/62/45/412226245.db2.gz UFTSNAMLAYLAGR-RDBSUJKOSA-N 3 2 284.448 0.502 20 0 CCADLP C[C@H](CC[NH3+])NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653128463 412233679 /nfs/dbraw/zinc/23/36/79/412233679.db2.gz GPRFRAHPEZRERV-SNVBAGLBSA-N 2 2 250.346 0.615 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1cccc2c1CCCN2 ZINC000653140597 412239843 /nfs/dbraw/zinc/23/98/43/412239843.db2.gz HVUPLCGABFKDOY-AWEZNQCLSA-N 2 2 290.411 0.940 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000653143134 412240782 /nfs/dbraw/zinc/24/07/82/412240782.db2.gz FRFBQPKGINOKBO-KKUMJFAQSA-N 3 2 296.459 0.504 20 0 CCADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653149142 412242485 /nfs/dbraw/zinc/24/24/85/412242485.db2.gz XXNRAYDVQYKIKI-OCCSQVGLSA-N 3 2 284.448 0.454 20 0 CCADLP Cc1[nH]nc2ncc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc12 ZINC000653149147 412242515 /nfs/dbraw/zinc/24/25/15/412242515.db2.gz YDSWRJSTIDPATC-NSHDSACASA-N 2 2 276.344 0.484 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC[C@@H](OCC2CC2)C1 ZINC000653151309 412243300 /nfs/dbraw/zinc/24/33/00/412243300.db2.gz CKWBQKXZJPPVKV-ZIAGYGMSSA-N 2 2 283.416 0.683 20 0 CCADLP CC(C)C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)CCO1 ZINC000653154229 412245071 /nfs/dbraw/zinc/24/50/71/412245071.db2.gz LYQICQUAWOAQFC-MJBXVCDLSA-N 2 2 285.432 0.975 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cccc(-n2ccnn2)c1 ZINC000653152337 412245611 /nfs/dbraw/zinc/24/56/11/412245611.db2.gz KBTPQVNHAWTLSD-ZDUSSCGKSA-N 2 2 288.355 0.485 20 0 CCADLP CC(C)[C@H](O)C(C)(C)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653157752 412246511 /nfs/dbraw/zinc/24/65/11/412246511.db2.gz LCNZPTUCFXHVEW-RYUDHWBXSA-N 2 2 273.421 0.425 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000653160846 412246909 /nfs/dbraw/zinc/24/69/09/412246909.db2.gz YKCGZQGLQTUYKG-CQSZACIVSA-N 3 2 282.432 0.256 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000653165116 412249263 /nfs/dbraw/zinc/24/92/63/412249263.db2.gz QFUMGTPXMOANJV-CHWSQXEVSA-N 3 2 276.384 0.182 20 0 CCADLP C[C@@H]1C[C@H](C)N(C(=O)[C@H]([NH3+])CC[NH+](C)C)C[C@H]1C[NH3+] ZINC000653165606 412249773 /nfs/dbraw/zinc/24/97/73/412249773.db2.gz WWFPTZJEEANPPH-YVECIDJPSA-N 3 2 270.421 0.097 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(CCCc2c[nH+]cn2C)CC1 ZINC000653541367 412313563 /nfs/dbraw/zinc/31/35/63/412313563.db2.gz NKEFPKZNZAEKOG-CYBMUJFWSA-N 2 2 266.389 0.351 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)OCC12CCC2 ZINC000653779141 412346157 /nfs/dbraw/zinc/34/61/57/412346157.db2.gz OELHIYBXQQEMRS-OLZOCXBDSA-N 2 2 256.390 0.942 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](C)OCC12CCC2 ZINC000653779141 412346161 /nfs/dbraw/zinc/34/61/61/412346161.db2.gz OELHIYBXQQEMRS-OLZOCXBDSA-N 2 2 256.390 0.942 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](C)OCC12CCC2 ZINC000653779141 412346163 /nfs/dbraw/zinc/34/61/63/412346163.db2.gz OELHIYBXQQEMRS-OLZOCXBDSA-N 2 2 256.390 0.942 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](C)OCC12CCC2 ZINC000653779141 412346168 /nfs/dbraw/zinc/34/61/68/412346168.db2.gz OELHIYBXQQEMRS-OLZOCXBDSA-N 2 2 256.390 0.942 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000653863407 412357835 /nfs/dbraw/zinc/35/78/35/412357835.db2.gz NPONRRMKNZFSCS-HZSPNIEDSA-N 2 2 281.400 0.450 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000653863407 412357840 /nfs/dbraw/zinc/35/78/40/412357840.db2.gz NPONRRMKNZFSCS-HZSPNIEDSA-N 2 2 281.400 0.450 20 0 CCADLP C[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000653863407 412357843 /nfs/dbraw/zinc/35/78/43/412357843.db2.gz NPONRRMKNZFSCS-HZSPNIEDSA-N 2 2 281.400 0.450 20 0 CCADLP C[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000653863407 412357845 /nfs/dbraw/zinc/35/78/45/412357845.db2.gz NPONRRMKNZFSCS-HZSPNIEDSA-N 2 2 281.400 0.450 20 0 CCADLP CC1(C)C[NH+](CC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000654392167 412391796 /nfs/dbraw/zinc/39/17/96/412391796.db2.gz LXKOMZAGQBYEMA-CQSZACIVSA-N 2 2 295.427 0.651 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000654671515 412426201 /nfs/dbraw/zinc/42/62/01/412426201.db2.gz LEZRJGCVZLDTEH-LLVKDONJSA-N 2 2 290.371 0.985 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000654671515 412426202 /nfs/dbraw/zinc/42/62/02/412426202.db2.gz LEZRJGCVZLDTEH-LLVKDONJSA-N 2 2 290.371 0.985 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)NCC1([NH3+])CCCC1 ZINC000659498859 413552979 /nfs/dbraw/zinc/55/29/79/413552979.db2.gz ANYZVAQGROHTND-UHFFFAOYSA-N 2 2 265.361 0.974 20 0 CCADLP CC(=O)N1CCC([NH2+][C@H](C)Cn2cc[nH+]c2)CC1 ZINC000035275471 172095414 /nfs/dbraw/zinc/09/54/14/172095414.db2.gz NJMPWEMQRAAJHA-LLVKDONJSA-N 2 2 250.346 0.872 20 0 CCADLP CCCC[C@H](C[NH3+])NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659524928 413597842 /nfs/dbraw/zinc/59/78/42/413597842.db2.gz XGFCWHMXTWSZQE-KGLIPLIRSA-N 2 2 298.431 0.620 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000659554065 413648415 /nfs/dbraw/zinc/64/84/15/413648415.db2.gz DFNNXFWBPPEULA-AEJSXWLSSA-N 2 2 253.350 0.906 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCCC2CCC2)[C@H](C[NH3+])C1 ZINC000659600101 413682873 /nfs/dbraw/zinc/68/28/73/413682873.db2.gz LERSRMZXMLWWPC-CYBMUJFWSA-N 2 2 268.405 0.851 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCCC2CCC2)[C@H](C[NH3+])C1 ZINC000659600101 413682884 /nfs/dbraw/zinc/68/28/84/413682884.db2.gz LERSRMZXMLWWPC-CYBMUJFWSA-N 2 2 268.405 0.851 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCC[C@]2(C)CC2(F)F)[C@H](C[NH3+])C1 ZINC000659602670 413683629 /nfs/dbraw/zinc/68/36/29/413683629.db2.gz IXRPGTMQCYQWFF-ZYHUDNBSSA-N 2 2 290.358 0.706 20 0 CCADLP C[N@H+]1CCN(C(=O)NCC[C@]2(C)CC2(F)F)[C@H](C[NH3+])C1 ZINC000659602670 413683637 /nfs/dbraw/zinc/68/36/37/413683637.db2.gz IXRPGTMQCYQWFF-ZYHUDNBSSA-N 2 2 290.358 0.706 20 0 CCADLP CCO[C@@H]1CN(C(=O)N[C@@H](C)c2[nH+]ccn2C)C[C@H]1C[NH3+] ZINC000659628068 413725385 /nfs/dbraw/zinc/72/53/85/413725385.db2.gz KTGFQPPIKWGDFK-QJPTWQEYSA-N 2 2 295.387 0.486 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000659751588 413847581 /nfs/dbraw/zinc/84/75/81/413847581.db2.gz HURWNXUTXWSUSH-GHMZBOCLSA-N 2 2 293.371 0.187 20 0 CCADLP C[NH+]1CCN(C[C@@H]2C[N@@H+]([C@H]3COC(C)(C)C3)CCO2)CC1 ZINC000659899290 413956973 /nfs/dbraw/zinc/95/69/73/413956973.db2.gz GMGXEVFCZQQKHM-HUUCEWRRSA-N 2 2 297.443 0.502 20 0 CCADLP C[NH+]1CCN(C[C@@H]2C[N@H+]([C@H]3COC(C)(C)C3)CCO2)CC1 ZINC000659899290 413956982 /nfs/dbraw/zinc/95/69/82/413956982.db2.gz GMGXEVFCZQQKHM-HUUCEWRRSA-N 2 2 297.443 0.502 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCSC[C@H]1CCO ZINC000660004429 414044199 /nfs/dbraw/zinc/04/41/99/414044199.db2.gz WLKKINXMVPBMPB-OLZOCXBDSA-N 2 2 276.446 0.487 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCSC[C@H]1CCO ZINC000660004429 414044205 /nfs/dbraw/zinc/04/42/05/414044205.db2.gz WLKKINXMVPBMPB-OLZOCXBDSA-N 2 2 276.446 0.487 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCSC[C@H]1CCO ZINC000660004429 414044234 /nfs/dbraw/zinc/04/42/34/414044234.db2.gz WLKKINXMVPBMPB-OLZOCXBDSA-N 2 2 276.446 0.487 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCSC[C@H]1CCO ZINC000660004429 414044241 /nfs/dbraw/zinc/04/42/41/414044241.db2.gz WLKKINXMVPBMPB-OLZOCXBDSA-N 2 2 276.446 0.487 20 0 CCADLP Cc1cn2cc(NC(=O)C[C@@H]3COCC[NH2+]3)ccc2[nH+]1 ZINC000285695700 196368956 /nfs/dbraw/zinc/36/89/56/196368956.db2.gz BGTLERDGMBXXBO-GFCCVEGCSA-N 2 2 274.324 0.960 20 0 CCADLP CCOCCO[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000660118619 414128900 /nfs/dbraw/zinc/12/89/00/414128900.db2.gz GBDAEBOBSLWKHC-CABCVRRESA-N 2 2 288.432 0.815 20 0 CCADLP CCOCCO[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000660118619 414128907 /nfs/dbraw/zinc/12/89/07/414128907.db2.gz GBDAEBOBSLWKHC-CABCVRRESA-N 2 2 288.432 0.815 20 0 CCADLP CCOCCO[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000660118619 414128918 /nfs/dbraw/zinc/12/89/18/414128918.db2.gz GBDAEBOBSLWKHC-CABCVRRESA-N 2 2 288.432 0.815 20 0 CCADLP CCOCCO[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1 ZINC000660118619 414128927 /nfs/dbraw/zinc/12/89/27/414128927.db2.gz GBDAEBOBSLWKHC-CABCVRRESA-N 2 2 288.432 0.815 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1cnccn1 ZINC000660148909 414158839 /nfs/dbraw/zinc/15/88/39/414158839.db2.gz YTXVKZDYNMBGAZ-UHFFFAOYSA-N 2 2 274.328 0.634 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1cnccn1 ZINC000660148909 414158846 /nfs/dbraw/zinc/15/88/46/414158846.db2.gz YTXVKZDYNMBGAZ-UHFFFAOYSA-N 2 2 274.328 0.634 20 0 CCADLP CCN1OC[C@@H]([N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000660078275 414092420 /nfs/dbraw/zinc/09/24/20/414092420.db2.gz TWBLBLPDZKWOPP-GHMZBOCLSA-N 2 2 264.329 0.751 20 0 CCADLP CCN1OC[C@@H]([N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1=O ZINC000660078275 414092429 /nfs/dbraw/zinc/09/24/29/414092429.db2.gz TWBLBLPDZKWOPP-GHMZBOCLSA-N 2 2 264.329 0.751 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC000660114299 414119880 /nfs/dbraw/zinc/11/98/80/414119880.db2.gz WTYMIPDVANHBAB-NSHDSACASA-N 2 2 286.326 0.966 20 0 CCADLP CCn1cc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)cn1 ZINC000660111994 414121665 /nfs/dbraw/zinc/12/16/65/414121665.db2.gz KDAPIQHSOJJFQR-UHFFFAOYSA-N 2 2 274.372 0.959 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000660463795 414336604 /nfs/dbraw/zinc/33/66/04/414336604.db2.gz IUDAEMJDCKUJFJ-NEPJUHHUSA-N 2 2 298.387 0.656 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000660463795 414336614 /nfs/dbraw/zinc/33/66/14/414336614.db2.gz IUDAEMJDCKUJFJ-NEPJUHHUSA-N 2 2 298.387 0.656 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000660463795 414336623 /nfs/dbraw/zinc/33/66/23/414336623.db2.gz IUDAEMJDCKUJFJ-NEPJUHHUSA-N 2 2 298.387 0.656 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000660463795 414336632 /nfs/dbraw/zinc/33/66/32/414336632.db2.gz IUDAEMJDCKUJFJ-NEPJUHHUSA-N 2 2 298.387 0.656 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000660463795 414336638 /nfs/dbraw/zinc/33/66/38/414336638.db2.gz IUDAEMJDCKUJFJ-NEPJUHHUSA-N 2 2 298.387 0.656 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000660463795 414336646 /nfs/dbraw/zinc/33/66/46/414336646.db2.gz IUDAEMJDCKUJFJ-NEPJUHHUSA-N 2 2 298.387 0.656 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000660463795 414336651 /nfs/dbraw/zinc/33/66/51/414336651.db2.gz IUDAEMJDCKUJFJ-NEPJUHHUSA-N 2 2 298.387 0.656 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](c2n[nH]c(=O)o2)C1 ZINC000660463795 414336659 /nfs/dbraw/zinc/33/66/59/414336659.db2.gz IUDAEMJDCKUJFJ-NEPJUHHUSA-N 2 2 298.387 0.656 20 0 CCADLP CCN1CC[C@@H]([N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000660486296 414354610 /nfs/dbraw/zinc/35/46/10/414354610.db2.gz ZUTYLBUXPYHTGV-HUUCEWRRSA-N 2 2 295.427 0.651 20 0 CCADLP CCN1CC[C@@H]([N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)C1=O ZINC000660486296 414354614 /nfs/dbraw/zinc/35/46/14/414354614.db2.gz ZUTYLBUXPYHTGV-HUUCEWRRSA-N 2 2 295.427 0.651 20 0 CCADLP COC[C@H](C[NH+]1CCC([N@@H+]2CCOC[C@H]2C)CC1)OC ZINC000660591174 414406988 /nfs/dbraw/zinc/40/69/88/414406988.db2.gz TZIVKJVQJLVMGJ-HIFRSBDPSA-N 2 2 286.416 0.833 20 0 CCADLP COC[C@H](C[NH+]1CCC([N@H+]2CCOC[C@H]2C)CC1)OC ZINC000660591174 414406992 /nfs/dbraw/zinc/40/69/92/414406992.db2.gz TZIVKJVQJLVMGJ-HIFRSBDPSA-N 2 2 286.416 0.833 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000660623638 414417293 /nfs/dbraw/zinc/41/72/93/414417293.db2.gz PDINGCFIWKOGQF-CHWSQXEVSA-N 2 2 271.405 0.240 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000660623638 414417296 /nfs/dbraw/zinc/41/72/96/414417296.db2.gz PDINGCFIWKOGQF-CHWSQXEVSA-N 2 2 271.405 0.240 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000660623638 414417298 /nfs/dbraw/zinc/41/72/98/414417298.db2.gz PDINGCFIWKOGQF-CHWSQXEVSA-N 2 2 271.405 0.240 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000660623638 414417301 /nfs/dbraw/zinc/41/73/01/414417301.db2.gz PDINGCFIWKOGQF-CHWSQXEVSA-N 2 2 271.405 0.240 20 0 CCADLP O=C([C@@H]1CCC[NH2+]C1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000037818439 173770036 /nfs/dbraw/zinc/77/00/36/173770036.db2.gz KODQYRBQPCGDRY-OAHLLOKOSA-N 2 2 288.395 0.725 20 0 CCADLP CC(=O)[C@](C)(O)C[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660695931 414445675 /nfs/dbraw/zinc/44/56/75/414445675.db2.gz DGVTUSHSZMBZAG-CQSZACIVSA-N 2 2 286.416 0.399 20 0 CCADLP CC(C)C[NH2+]C1(CO)CC[NH+]([C@@H]2CCCN(C)C2=O)CC1 ZINC000660696825 414446570 /nfs/dbraw/zinc/44/65/70/414446570.db2.gz QDJAOBGWHSDUGS-CQSZACIVSA-N 2 2 297.443 0.680 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000660741739 414469605 /nfs/dbraw/zinc/46/96/05/414469605.db2.gz RLIPPYZDECLKBJ-WOPDTQHZSA-N 2 2 298.349 0.933 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000660741739 414469610 /nfs/dbraw/zinc/46/96/10/414469610.db2.gz RLIPPYZDECLKBJ-WOPDTQHZSA-N 2 2 298.349 0.933 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000660741739 414469616 /nfs/dbraw/zinc/46/96/16/414469616.db2.gz RLIPPYZDECLKBJ-WOPDTQHZSA-N 2 2 298.349 0.933 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000660741739 414469619 /nfs/dbraw/zinc/46/96/19/414469619.db2.gz RLIPPYZDECLKBJ-WOPDTQHZSA-N 2 2 298.349 0.933 20 0 CCADLP CC(C)(C)n1nnc(CC[N@@H+]2CCn3c[nH+]cc3C2)n1 ZINC000660584245 414401828 /nfs/dbraw/zinc/40/18/28/414401828.db2.gz RIJREEOIMYKQND-UHFFFAOYSA-N 2 2 275.360 0.683 20 0 CCADLP CC(C)(C)n1nnc(CC[N@H+]2CCn3c[nH+]cc3C2)n1 ZINC000660584245 414401834 /nfs/dbraw/zinc/40/18/34/414401834.db2.gz RIJREEOIMYKQND-UHFFFAOYSA-N 2 2 275.360 0.683 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000661046092 414548006 /nfs/dbraw/zinc/54/80/06/414548006.db2.gz PXBIYUVMTOUUCN-STQMWFEESA-N 2 2 291.399 0.981 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)N[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000661046092 414548009 /nfs/dbraw/zinc/54/80/09/414548009.db2.gz PXBIYUVMTOUUCN-STQMWFEESA-N 2 2 291.399 0.981 20 0 CCADLP C[C@H](NC(=O)N[C@@H]1CCC[N@H+](C)C1)c1[nH+]ccn1C ZINC000660835388 414498823 /nfs/dbraw/zinc/49/88/23/414498823.db2.gz FHBXUPGREOELHL-WDEREUQCSA-N 2 2 265.361 0.875 20 0 CCADLP C[C@H](NC(=O)N[C@@H]1CCC[N@@H+](C)C1)c1[nH+]ccn1C ZINC000660835388 414498827 /nfs/dbraw/zinc/49/88/27/414498827.db2.gz FHBXUPGREOELHL-WDEREUQCSA-N 2 2 265.361 0.875 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+]([C@H]2COC(C)(C)C2)CC1=O ZINC000660913383 414527975 /nfs/dbraw/zinc/52/79/75/414527975.db2.gz SJBPEUDTXXATSD-GFCCVEGCSA-N 2 2 269.389 0.260 20 0 CCADLP C[NH+](C)CCN1CC[N@H+]([C@H]2COC(C)(C)C2)CC1=O ZINC000660913383 414527978 /nfs/dbraw/zinc/52/79/78/414527978.db2.gz SJBPEUDTXXATSD-GFCCVEGCSA-N 2 2 269.389 0.260 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CCO[C@@](C)(C3CC3)C2)CC1 ZINC000661167316 414571922 /nfs/dbraw/zinc/57/19/22/414571922.db2.gz IIUGKLNEMSXMKB-OAHLLOKOSA-N 2 2 281.400 0.261 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CCO[C@@](C)(C3CC3)C2)CC1 ZINC000661167316 414571925 /nfs/dbraw/zinc/57/19/25/414571925.db2.gz IIUGKLNEMSXMKB-OAHLLOKOSA-N 2 2 281.400 0.261 20 0 CCADLP C[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000040419283 174256803 /nfs/dbraw/zinc/25/68/03/174256803.db2.gz UXKAKJAAABVTOF-UHFFFAOYSA-N 2 2 263.341 0.677 20 0 CCADLP Cc1nnc([C@H](C)[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)[nH]1 ZINC000662278039 414704507 /nfs/dbraw/zinc/70/45/07/414704507.db2.gz ZUKWNGDDNBOWRY-CMPLNLGQSA-N 2 2 264.377 0.154 20 0 CCADLP Cc1nnc([C@H](C)[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)[nH]1 ZINC000662278039 414704508 /nfs/dbraw/zinc/70/45/08/414704508.db2.gz ZUKWNGDDNBOWRY-CMPLNLGQSA-N 2 2 264.377 0.154 20 0 CCADLP Cc1noc([C@@H](C)[N@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)n1 ZINC000662282549 414705627 /nfs/dbraw/zinc/70/56/27/414705627.db2.gz CDGQPCLCPHDPRH-KOLCDFICSA-N 2 2 266.345 0.892 20 0 CCADLP [NH3+]CC[N@H+](CCCCC(F)(F)F)C[C@@H](O)CO ZINC000662287591 414706487 /nfs/dbraw/zinc/70/64/87/414706487.db2.gz DOMLTSFOKPPWST-SECBINFHSA-N 2 2 258.284 0.333 20 0 CCADLP [NH3+]CC[N@@H+](CCCCC(F)(F)F)C[C@@H](O)CO ZINC000662287591 414706488 /nfs/dbraw/zinc/70/64/88/414706488.db2.gz DOMLTSFOKPPWST-SECBINFHSA-N 2 2 258.284 0.333 20 0 CCADLP CC(C)CN(CC(C)C)C(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662286661 414706766 /nfs/dbraw/zinc/70/67/66/414706766.db2.gz VSKGQZZHYJSYMP-UHFFFAOYSA-N 2 2 299.459 0.831 20 0 CCADLP O=C(C[NH2+]C1(CO)CC[NH2+]CC1)NCc1ccccc1 ZINC000662286267 414706779 /nfs/dbraw/zinc/70/67/79/414706779.db2.gz PMLLQTONOZYLRT-UHFFFAOYSA-N 2 2 277.368 0.007 20 0 CCADLP [NH3+]CC[N@H+](CCC1CCCCCC1)C[C@@H](O)CO ZINC000662287548 414706797 /nfs/dbraw/zinc/70/67/97/414706797.db2.gz CFWTYSATFRWJQI-CQSZACIVSA-N 2 2 258.406 0.961 20 0 CCADLP [NH3+]CC[N@@H+](CCC1CCCCCC1)C[C@@H](O)CO ZINC000662287548 414706798 /nfs/dbraw/zinc/70/67/98/414706798.db2.gz CFWTYSATFRWJQI-CQSZACIVSA-N 2 2 258.406 0.961 20 0 CCADLP Cc1cc(NC(=O)CC[N@@H+]2CC3CC2(C[NH3+])C3)no1 ZINC000662304149 414708410 /nfs/dbraw/zinc/70/84/10/414708410.db2.gz JVCNIXFMBWFLJK-UHFFFAOYSA-N 2 2 264.329 0.735 20 0 CCADLP Cc1cc(NC(=O)CC[N@H+]2CC3CC2(C[NH3+])C3)no1 ZINC000662304149 414708411 /nfs/dbraw/zinc/70/84/11/414708411.db2.gz JVCNIXFMBWFLJK-UHFFFAOYSA-N 2 2 264.329 0.735 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)n1 ZINC000662318174 414709458 /nfs/dbraw/zinc/70/94/58/414709458.db2.gz WZQDGBGSYNGMPC-ZJUUUORDSA-N 2 2 266.345 0.732 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)n1 ZINC000662318174 414709459 /nfs/dbraw/zinc/70/94/59/414709459.db2.gz WZQDGBGSYNGMPC-ZJUUUORDSA-N 2 2 266.345 0.732 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+](CCN1CCOCC1)CC1CC1 ZINC000661970387 414685527 /nfs/dbraw/zinc/68/55/27/414685527.db2.gz QKPQGAZCQJZYCT-MRXNPFEDSA-N 2 2 299.459 0.343 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](CCN1CCOCC1)CC1CC1 ZINC000661970387 414685528 /nfs/dbraw/zinc/68/55/28/414685528.db2.gz QKPQGAZCQJZYCT-MRXNPFEDSA-N 2 2 299.459 0.343 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](CCN1CCOCC1)CC1CC1 ZINC000661970387 414685529 /nfs/dbraw/zinc/68/55/29/414685529.db2.gz QKPQGAZCQJZYCT-MRXNPFEDSA-N 2 2 299.459 0.343 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](CCN1CCOCC1)CC1CC1 ZINC000661970387 414685530 /nfs/dbraw/zinc/68/55/30/414685530.db2.gz QKPQGAZCQJZYCT-MRXNPFEDSA-N 2 2 299.459 0.343 20 0 CCADLP C[C@@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)[C@H]1C[NH3+] ZINC000662244986 414698709 /nfs/dbraw/zinc/69/87/09/414698709.db2.gz KPBQYXCJAGRGHP-AGIUHOORSA-N 3 2 253.390 0.567 20 0 CCADLP C[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)[C@H]1C[NH3+] ZINC000662244986 414698710 /nfs/dbraw/zinc/69/87/10/414698710.db2.gz KPBQYXCJAGRGHP-AGIUHOORSA-N 3 2 253.390 0.567 20 0 CCADLP CC[NH2+]CC1CC[NH+](Cc2nc(N(C)C)no2)CC1 ZINC000662245136 414698918 /nfs/dbraw/zinc/69/89/18/414698918.db2.gz KVXQZXGFXWAVHM-UHFFFAOYSA-N 2 2 267.377 0.957 20 0 CCADLP FC(F)(F)[C@H]1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662256013 414700608 /nfs/dbraw/zinc/70/06/08/414700608.db2.gz HSMRKYJOLGJRBS-NXEZZACHSA-N 2 2 280.290 0.771 20 0 CCADLP FC(F)(F)[C@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCO1 ZINC000662256013 414700609 /nfs/dbraw/zinc/70/06/09/414700609.db2.gz HSMRKYJOLGJRBS-NXEZZACHSA-N 2 2 280.290 0.771 20 0 CCADLP CCCNC(=O)C1([NH2+]C[C@H]2C[NH2+]CCO2)CCCCC1 ZINC000662258591 414701025 /nfs/dbraw/zinc/70/10/25/414701025.db2.gz KUCCVUGQQJEIJO-CYBMUJFWSA-N 2 2 283.416 0.794 20 0 CCADLP COCC[NH2+]CC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000662760584 414768309 /nfs/dbraw/zinc/76/83/09/414768309.db2.gz XMDIHAYECYYSKT-LBPRGKRZSA-N 2 2 280.372 0.566 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662349083 414711488 /nfs/dbraw/zinc/71/14/88/414711488.db2.gz XTPISUSQWYTUBV-LLVKDONJSA-N 2 2 288.355 0.503 20 0 CCADLP CC[C@@H]([NH2+]C)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000662378576 414712971 /nfs/dbraw/zinc/71/29/71/414712971.db2.gz AMZMZOFQYUPZRZ-CYBMUJFWSA-N 2 2 292.383 0.532 20 0 CCADLP C[C@H](CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])[C@@H]1CCCO1 ZINC000662430046 414717500 /nfs/dbraw/zinc/71/75/00/414717500.db2.gz UDTRWLIOVAZQOK-AGIUHOORSA-N 2 2 269.389 0.293 20 0 CCADLP C[C@H](CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])[C@@H]1CCCO1 ZINC000662430046 414717501 /nfs/dbraw/zinc/71/75/01/414717501.db2.gz UDTRWLIOVAZQOK-AGIUHOORSA-N 2 2 269.389 0.293 20 0 CCADLP O=C(NCCn1cc[nH+]c1)c1cccc2c1C[NH2+]C2 ZINC000662523524 414725251 /nfs/dbraw/zinc/72/52/51/414725251.db2.gz CAVVWEYSHYCDMY-UHFFFAOYSA-N 2 2 256.309 0.916 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1ccccn1 ZINC000662604087 414731783 /nfs/dbraw/zinc/73/17/83/414731783.db2.gz CEQIDUXQQGIZKZ-RYUDHWBXSA-N 2 2 264.373 0.580 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCCc1noc2ccccc21 ZINC000662606709 414732110 /nfs/dbraw/zinc/73/21/10/414732110.db2.gz UXRWEBUVKWYOAR-GFCCVEGCSA-N 2 2 290.367 0.766 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000662619319 414733435 /nfs/dbraw/zinc/73/34/35/414733435.db2.gz KAZOCNXEBIZWMF-VXGBXAGGSA-N 3 2 270.421 0.254 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000662619319 414733436 /nfs/dbraw/zinc/73/34/36/414733436.db2.gz KAZOCNXEBIZWMF-VXGBXAGGSA-N 3 2 270.421 0.254 20 0 CCADLP CC[C@@H](COCC1CC1)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000662620900 414733673 /nfs/dbraw/zinc/73/36/73/414733673.db2.gz SEVXFQHQGHZORM-QWHCGFSZSA-N 2 2 271.405 0.587 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)CC2([NH3+])CCC2)[C@@H](C)CO1 ZINC000662629023 414734334 /nfs/dbraw/zinc/73/43/34/414734334.db2.gz ACZYNNOXGJTHRT-NWDGAFQWSA-N 2 2 269.389 0.483 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)CC2([NH3+])CCC2)[C@@H](C)CO1 ZINC000662629023 414734335 /nfs/dbraw/zinc/73/43/35/414734335.db2.gz ACZYNNOXGJTHRT-NWDGAFQWSA-N 2 2 269.389 0.483 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C[NH2+]CC2CC2)[C@@H](C)CO1 ZINC000662631179 414735053 /nfs/dbraw/zinc/73/50/53/414735053.db2.gz PRFXNGUESBDHCB-NWDGAFQWSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C[NH2+]CC2CC2)[C@@H](C)CO1 ZINC000662631179 414735054 /nfs/dbraw/zinc/73/50/54/414735054.db2.gz PRFXNGUESBDHCB-NWDGAFQWSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]([NH3+])CC(F)F)[C@@H](C)CO1 ZINC000662633394 414735550 /nfs/dbraw/zinc/73/55/50/414735550.db2.gz KRSDGGPKOFNYTR-AEJSXWLSSA-N 2 2 279.331 0.194 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]([NH3+])CC(F)F)[C@@H](C)CO1 ZINC000662633394 414735551 /nfs/dbraw/zinc/73/55/51/414735551.db2.gz KRSDGGPKOFNYTR-AEJSXWLSSA-N 2 2 279.331 0.194 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])[C@H](C)CO1 ZINC000662634307 414735668 /nfs/dbraw/zinc/73/56/68/414735668.db2.gz RBIWRHPCSRYVLI-LPWJVIDDSA-N 2 2 269.389 0.339 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])[C@H](C)CO1 ZINC000662634307 414735669 /nfs/dbraw/zinc/73/56/69/414735669.db2.gz RBIWRHPCSRYVLI-LPWJVIDDSA-N 2 2 269.389 0.339 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C(C)(C)C[NH3+])[C@H](C)CO1 ZINC000662635446 414735751 /nfs/dbraw/zinc/73/57/51/414735751.db2.gz VVYOSKLQCJQZNX-GHMZBOCLSA-N 2 2 257.378 0.197 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C(C)(C)C[NH3+])[C@H](C)CO1 ZINC000662635446 414735752 /nfs/dbraw/zinc/73/57/52/414735752.db2.gz VVYOSKLQCJQZNX-GHMZBOCLSA-N 2 2 257.378 0.197 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C(C)(C)C[NH3+])[C@@H](C)CO1 ZINC000662635449 414735834 /nfs/dbraw/zinc/73/58/34/414735834.db2.gz VVYOSKLQCJQZNX-WDEREUQCSA-N 2 2 257.378 0.197 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C(C)(C)C[NH3+])[C@@H](C)CO1 ZINC000662635449 414735835 /nfs/dbraw/zinc/73/58/35/414735835.db2.gz VVYOSKLQCJQZNX-WDEREUQCSA-N 2 2 257.378 0.197 20 0 CCADLP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000662672018 414739543 /nfs/dbraw/zinc/73/95/43/414739543.db2.gz UGARZMPBXKDGHB-STQMWFEESA-N 2 2 288.351 0.357 20 0 CCADLP [NH3+]C1(CC(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CC1 ZINC000662674373 414739916 /nfs/dbraw/zinc/73/99/16/414739916.db2.gz CEFIQIOARWOYMY-UHFFFAOYSA-N 2 2 290.367 0.416 20 0 CCADLP [NH3+][C@H]1C[C@H](C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000662684937 414741122 /nfs/dbraw/zinc/74/11/22/414741122.db2.gz LZABJMJPNIJGKQ-XYPYZODXSA-N 2 2 262.357 0.615 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)c2cc(C(C)(C)[NH3+])no2)CCO1 ZINC000662701314 414743197 /nfs/dbraw/zinc/74/31/97/414743197.db2.gz OGFKANMNAYOYIF-SNVBAGLBSA-N 2 2 296.371 0.319 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)c2cc(C(C)(C)[NH3+])no2)CCO1 ZINC000662701314 414743198 /nfs/dbraw/zinc/74/31/98/414743198.db2.gz OGFKANMNAYOYIF-SNVBAGLBSA-N 2 2 296.371 0.319 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662714210 414745564 /nfs/dbraw/zinc/74/55/64/414745564.db2.gz BBACDSPZCAUFET-UHFFFAOYSA-N 2 2 295.427 0.875 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000662714210 414745565 /nfs/dbraw/zinc/74/55/65/414745565.db2.gz BBACDSPZCAUFET-UHFFFAOYSA-N 2 2 295.427 0.875 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000662951391 414911783 /nfs/dbraw/zinc/91/17/83/414911783.db2.gz UMOFJXPUBBRBQJ-UWVGGRQHSA-N 2 2 297.321 0.445 20 0 CCADLP C[NH2+]C[C@@H](C)NC(=O)[C@H]([NH3+])c1c(F)cccc1F ZINC000662968703 414922736 /nfs/dbraw/zinc/92/27/36/414922736.db2.gz WENOYMBRZSQLAI-RDDDGLTNSA-N 2 2 257.284 0.689 20 0 CCADLP CC[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662899502 414879324 /nfs/dbraw/zinc/87/93/24/414879324.db2.gz DQIAHSNLAQGKNR-UONOGXRCSA-N 3 2 282.432 0.351 20 0 CCADLP CC[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662899502 414879329 /nfs/dbraw/zinc/87/93/29/414879329.db2.gz DQIAHSNLAQGKNR-UONOGXRCSA-N 3 2 282.432 0.351 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000662909731 414885011 /nfs/dbraw/zinc/88/50/11/414885011.db2.gz HQFNQBMXNPOVHI-ZFWWWQNUSA-N 2 2 297.443 0.931 20 0 CCADLP C[C@H](NC(=O)CC1CC[NH2+]CC1)c1[nH+]ccn1C ZINC000662933702 414902676 /nfs/dbraw/zinc/90/26/76/414902676.db2.gz KEQMCOWZQYBTTP-JTQLQIEISA-N 2 2 250.346 0.987 20 0 CCADLP C[C@H](NC(=O)[C@H]1C[NH2+]CCC1(F)F)c1[nH+]ccn1C ZINC000662933169 414902770 /nfs/dbraw/zinc/90/27/70/414902770.db2.gz HXOXLOPKGIPCRQ-DTWKUNHWSA-N 2 2 272.299 0.842 20 0 CCADLP C[C@]1(NC(=O)Cc2cn3c([nH+]2)CCCC3)CC[NH2+]C1 ZINC000663015363 414952687 /nfs/dbraw/zinc/95/26/87/414952687.db2.gz UHBDLVVWVYVNFO-AWEZNQCLSA-N 2 2 262.357 0.630 20 0 CCADLP C[C@@H](NC[C@@H](O)C[N@H+](C)C1CC1)c1[nH+]ccn1C ZINC000663380753 415055275 /nfs/dbraw/zinc/05/52/75/415055275.db2.gz ZOWPSKQEWHWDOS-ZYHUDNBSSA-N 2 2 252.362 0.526 20 0 CCADLP C[C@@H](NC[C@@H](O)C[N@@H+](C)C1CC1)c1[nH+]ccn1C ZINC000663380753 415055278 /nfs/dbraw/zinc/05/52/78/415055278.db2.gz ZOWPSKQEWHWDOS-ZYHUDNBSSA-N 2 2 252.362 0.526 20 0 CCADLP c1nc(N[C@@H]2CC[N@@H+](C3CC3)C2)c2c([nH+]1)NCCO2 ZINC000663425413 415062284 /nfs/dbraw/zinc/06/22/84/415062284.db2.gz QCNLDSITASOUKE-SECBINFHSA-N 2 2 261.329 0.930 20 0 CCADLP c1nc(N[C@@H]2CC[N@H+](C3CC3)C2)c2c([nH+]1)NCCO2 ZINC000663425413 415062286 /nfs/dbraw/zinc/06/22/86/415062286.db2.gz QCNLDSITASOUKE-SECBINFHSA-N 2 2 261.329 0.930 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NC1CC[NH+](C)CC1 ZINC000663445449 415067211 /nfs/dbraw/zinc/06/72/11/415067211.db2.gz IJCUQYRUFRVJLY-OLZOCXBDSA-N 2 2 298.431 0.489 20 0 CCADLP O=C(c1ccc2[nH+]ccn2c1)N1CCOC2(C[NH2+]C2)C1 ZINC000663489024 415074068 /nfs/dbraw/zinc/07/40/68/415074068.db2.gz XAXHXBGYLYHRRP-UHFFFAOYSA-N 2 2 272.308 0.149 20 0 CCADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cnc(N2CCOCC2)s1 ZINC000663509067 415079830 /nfs/dbraw/zinc/07/98/30/415079830.db2.gz VPDIXYFSKZRNAA-SNVBAGLBSA-N 2 2 270.402 0.677 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCCC1CC1 ZINC000664238845 415291907 /nfs/dbraw/zinc/29/19/07/415291907.db2.gz LORATUCVLIHWPN-UHFFFAOYSA-N 2 2 270.421 0.969 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCCC1CC1 ZINC000664238845 415291915 /nfs/dbraw/zinc/29/19/15/415291915.db2.gz LORATUCVLIHWPN-UHFFFAOYSA-N 2 2 270.421 0.969 20 0 CCADLP CN(CC1C[NH+](C)C1)c1cc(N2CCOCC2)[nH+]cn1 ZINC000664331426 415348592 /nfs/dbraw/zinc/34/85/92/415348592.db2.gz QQKJXPUHUGCNMW-UHFFFAOYSA-N 2 2 277.372 0.311 20 0 CCADLP CN(CC1C[NH+](C)C1)c1cc(N2CCOCC2)nc[nH+]1 ZINC000664331426 415348597 /nfs/dbraw/zinc/34/85/97/415348597.db2.gz QQKJXPUHUGCNMW-UHFFFAOYSA-N 2 2 277.372 0.311 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000664771983 415466429 /nfs/dbraw/zinc/46/64/29/415466429.db2.gz BVJBXSCLBMNCCZ-BTTYYORXSA-N 2 2 282.432 0.968 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000664771983 415466433 /nfs/dbraw/zinc/46/64/33/415466433.db2.gz BVJBXSCLBMNCCZ-BTTYYORXSA-N 2 2 282.432 0.968 20 0 CCADLP CCS(=O)(=O)C1(C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)CC1 ZINC000665276050 415585600 /nfs/dbraw/zinc/58/56/00/415585600.db2.gz XNUBONYDONYOMB-NWDGAFQWSA-N 2 2 290.429 0.310 20 0 CCADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NC(=O)NCC(C)C)C1 ZINC000071146800 176042627 /nfs/dbraw/zinc/04/26/27/176042627.db2.gz KBFBBQNLIYEHLK-LLVKDONJSA-N 2 2 270.377 0.010 20 0 CCADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NC(=O)NCC(C)C)C1 ZINC000071146800 176042629 /nfs/dbraw/zinc/04/26/29/176042629.db2.gz KBFBBQNLIYEHLK-LLVKDONJSA-N 2 2 270.377 0.010 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000353469225 287317390 /nfs/dbraw/zinc/31/73/90/287317390.db2.gz POWCFRWDQODVPQ-QPSCCSFWSA-N 2 2 295.427 0.554 20 0 CCADLP Cc1[nH+]ccn1CC[NH+]1CCN(C(=O)C(C)C)CC1 ZINC000077120725 177226438 /nfs/dbraw/zinc/22/64/38/177226438.db2.gz BYKJLADJOYCYRN-UHFFFAOYSA-N 2 2 264.373 0.992 20 0 CCADLP COC(=O)C[C@H]([NH3+])C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000575178855 335076164 /nfs/dbraw/zinc/07/61/64/335076164.db2.gz SXQQPAIONKLQCS-JTQLQIEISA-N 2 2 280.328 0.006 20 0 CCADLP COC(=O)C[C@H]([NH3+])C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000575178855 335076166 /nfs/dbraw/zinc/07/61/66/335076166.db2.gz SXQQPAIONKLQCS-JTQLQIEISA-N 2 2 280.328 0.006 20 0 CCADLP CCn1nncc1C[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000417892493 227062973 /nfs/dbraw/zinc/06/29/73/227062973.db2.gz CYIAQWYXSGDIGA-CQSZACIVSA-N 2 2 281.404 0.480 20 0 CCADLP Cn1cc([C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2[NH3+])cn1 ZINC000332097490 228148702 /nfs/dbraw/zinc/14/87/02/228148702.db2.gz XRLMXHUNCZRGFY-UONOGXRCSA-N 2 2 264.373 0.573 20 0 CCADLP Cn1cc([C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]2[NH3+])cn1 ZINC000332097490 228148704 /nfs/dbraw/zinc/14/87/04/228148704.db2.gz XRLMXHUNCZRGFY-UONOGXRCSA-N 2 2 264.373 0.573 20 0 CCADLP O=C(NCc1[nH]cc[nH+]1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000080626154 544478932 /nfs/dbraw/zinc/47/89/32/544478932.db2.gz COYGTXHNAGJGAK-VIFPVBQESA-N 2 2 262.235 0.568 20 0 CCADLP CC(C)([NH3+])CC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000084170212 544489833 /nfs/dbraw/zinc/48/98/33/544489833.db2.gz LHHIRZZUZLIMGB-UHFFFAOYSA-N 2 2 276.384 0.853 20 0 CCADLP CC(C)([NH3+])CC(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000084184697 544490845 /nfs/dbraw/zinc/49/08/45/544490845.db2.gz VGGNORZGIAALHK-UHFFFAOYSA-N 2 2 292.383 0.662 20 0 CCADLP O=C(C[C@@H]1CC[NH2+]C1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000089743949 544516735 /nfs/dbraw/zinc/51/67/35/544516735.db2.gz BWOPNMOFRONHJI-HNNXBMFYSA-N 2 2 288.395 0.725 20 0 CCADLP C[NH+]1CCOC[C@H]1CNc1ncnc2c1C[N@H+](C)CC2 ZINC000624620057 419423384 /nfs/dbraw/zinc/42/33/84/419423384.db2.gz UAROCJAWMPIVBF-LLVKDONJSA-N 2 2 277.372 0.207 20 0 CCADLP C[NH+]1CCOC[C@H]1CNc1ncnc2c1C[N@@H+](C)CC2 ZINC000624620057 419423392 /nfs/dbraw/zinc/42/33/92/419423392.db2.gz UAROCJAWMPIVBF-LLVKDONJSA-N 2 2 277.372 0.207 20 0 CCADLP C[NH+]1CCc2ncnc(NC[C@@H]3COCC[N@@H+]3C)c2C1 ZINC000624620057 419423397 /nfs/dbraw/zinc/42/33/97/419423397.db2.gz UAROCJAWMPIVBF-LLVKDONJSA-N 2 2 277.372 0.207 20 0 CCADLP C[NH+]1CCc2ncnc(NC[C@@H]3COCC[N@H+]3C)c2C1 ZINC000624620057 419423405 /nfs/dbraw/zinc/42/34/05/419423405.db2.gz UAROCJAWMPIVBF-LLVKDONJSA-N 2 2 277.372 0.207 20 0 CCADLP Cc1nc(N2CC[NH+](C3CCOCC3)CC2)nc(N)[nH+]1 ZINC000631142112 419471915 /nfs/dbraw/zinc/47/19/15/419471915.db2.gz CVYUGFJSUAEUGP-UHFFFAOYSA-N 2 2 278.360 0.063 20 0 CCADLP O=C(NCc1c[nH+]c[nH]1)c1cccc2c1CC[NH2+]C2 ZINC000124335311 544589720 /nfs/dbraw/zinc/58/97/20/544589720.db2.gz GJKOIFXKMMGLOJ-UHFFFAOYSA-N 2 2 256.309 0.985 20 0 CCADLP O=C(NCc1c[nH]c[nH+]1)c1cccc2c1CC[NH2+]C2 ZINC000124335311 544589726 /nfs/dbraw/zinc/58/97/26/544589726.db2.gz GJKOIFXKMMGLOJ-UHFFFAOYSA-N 2 2 256.309 0.985 20 0 CCADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)CCc1c[nH+]c[nH]1 ZINC000193169068 544804258 /nfs/dbraw/zinc/80/42/58/544804258.db2.gz WSXCCTZTFNMSHY-AWEZNQCLSA-N 2 2 294.399 0.912 20 0 CCADLP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)CCc1c[nH]c[nH+]1 ZINC000193169068 544804266 /nfs/dbraw/zinc/80/42/66/544804266.db2.gz WSXCCTZTFNMSHY-AWEZNQCLSA-N 2 2 294.399 0.912 20 0 CCADLP CCC[C@@H]([NH3+])c1cn(CC[NH+]2CCOCC2)nn1 ZINC000229969883 544851247 /nfs/dbraw/zinc/85/12/47/544851247.db2.gz YPBODAWKRCPFPI-LLVKDONJSA-N 2 2 253.350 0.410 20 0 CCADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000422978226 287619656 /nfs/dbraw/zinc/61/96/56/287619656.db2.gz YUOQTJZDICDYFF-ILXRZTDVSA-N 3 2 269.433 0.811 20 0 CCADLP CCc1nnc(N2CC[N@H+](C)C[C@H]2C[NH3+])nc1CC ZINC000252976977 544932934 /nfs/dbraw/zinc/93/29/34/544932934.db2.gz YTNBWDIPPCZWED-SNVBAGLBSA-N 2 2 264.377 0.076 20 0 CCADLP CCc1nnc(N2CC[N@@H+](C)C[C@H]2C[NH3+])nc1CC ZINC000252976977 544932939 /nfs/dbraw/zinc/93/29/39/544932939.db2.gz YTNBWDIPPCZWED-SNVBAGLBSA-N 2 2 264.377 0.076 20 0 CCADLP CCO[C@H](CC[NH+](C)C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC000280098391 544958080 /nfs/dbraw/zinc/95/80/80/544958080.db2.gz ZPYRJDIYSZKQCW-CYBMUJFWSA-N 2 2 282.388 0.815 20 0 CCADLP CCO[C@H](CC[NH+](C)C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC000280098391 544958083 /nfs/dbraw/zinc/95/80/83/544958083.db2.gz ZPYRJDIYSZKQCW-CYBMUJFWSA-N 2 2 282.388 0.815 20 0 CCADLP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000333817970 545043297 /nfs/dbraw/zinc/04/32/97/545043297.db2.gz QRSKCUINTSNZST-OLZOCXBDSA-N 2 2 298.431 0.537 20 0 CCADLP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000333817970 545043298 /nfs/dbraw/zinc/04/32/98/545043298.db2.gz QRSKCUINTSNZST-OLZOCXBDSA-N 2 2 298.431 0.537 20 0 CCADLP CC(C)[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH+]1CCOCC1 ZINC000352190427 545069299 /nfs/dbraw/zinc/06/92/99/545069299.db2.gz NNTVSCNIUODHDP-AWEZNQCLSA-N 2 2 294.399 0.815 20 0 CCADLP CC(C)[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH+]1CCOCC1 ZINC000352190427 545069301 /nfs/dbraw/zinc/06/93/01/545069301.db2.gz NNTVSCNIUODHDP-AWEZNQCLSA-N 2 2 294.399 0.815 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000336798048 545050947 /nfs/dbraw/zinc/05/09/47/545050947.db2.gz CLPGOSVOHNACDR-CHWSQXEVSA-N 2 2 264.373 0.846 20 0 CCADLP Cc1cccnc1C[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000521427088 262328935 /nfs/dbraw/zinc/32/89/35/262328935.db2.gz ZGNPDXSNRAXBSJ-KKUMJFAQSA-N 2 2 293.411 0.950 20 0 CCADLP CCc1ncc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cn1 ZINC000575234018 335085994 /nfs/dbraw/zinc/08/59/94/335085994.db2.gz XPLCALUVHHOOHJ-LLVKDONJSA-N 2 2 278.360 0.146 20 0 CCADLP CCc1ncc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cn1 ZINC000575234018 335085996 /nfs/dbraw/zinc/08/59/96/335085996.db2.gz XPLCALUVHHOOHJ-LLVKDONJSA-N 2 2 278.360 0.146 20 0 CCADLP O=C(N[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21)[C@H]1CCn2c[nH+]cc2C1 ZINC000960628343 649856534 /nfs/dbraw/zinc/85/65/34/649856534.db2.gz FFOPNWDWNNPUKF-SCUASFONSA-N 2 2 292.358 0.461 20 0 CCADLP O=C(N[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21)[C@H]1CCn2c[nH+]cc2C1 ZINC000960628343 649856535 /nfs/dbraw/zinc/85/65/35/649856535.db2.gz FFOPNWDWNNPUKF-SCUASFONSA-N 2 2 292.358 0.461 20 0 CCADLP C[C@@]1(F)C[NH2+]CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000519156751 265336238 /nfs/dbraw/zinc/33/62/38/265336238.db2.gz KOOGBPKORBGFLA-HZSPNIEDSA-N 2 2 271.380 0.483 20 0 CCADLP C[C@@]1(F)C[NH2+]CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000519156751 265336240 /nfs/dbraw/zinc/33/62/40/265336240.db2.gz KOOGBPKORBGFLA-HZSPNIEDSA-N 2 2 271.380 0.483 20 0 CCADLP [NH3+][C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C1CC1 ZINC000519690277 265544663 /nfs/dbraw/zinc/54/46/63/265544663.db2.gz ADBFOSMDXALICK-UONOGXRCSA-N 2 2 296.415 0.230 20 0 CCADLP CC(C)[C@H]1CN([C@@H](C)C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000487949040 276032756 /nfs/dbraw/zinc/03/27/56/276032756.db2.gz NDFCMANQNWTJPF-LSDHHAIUSA-N 2 2 269.433 0.979 20 0 CCADLP CC(C)[C@H]1CN([C@@H](C)C[NH+]2CCOCC2)CC[N@H+]1C ZINC000487949040 276032757 /nfs/dbraw/zinc/03/27/57/276032757.db2.gz NDFCMANQNWTJPF-LSDHHAIUSA-N 2 2 269.433 0.979 20 0 CCADLP CCOC1CC(O)(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000423082426 276450919 /nfs/dbraw/zinc/45/09/19/276450919.db2.gz FGFDLJCBGSISCW-PIOWNMBXSA-N 2 2 284.400 0.273 20 0 CCADLP CC[C@H]([NH3+])C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000167320010 287925031 /nfs/dbraw/zinc/92/50/31/287925031.db2.gz UILJSEWSDKHUSU-STQMWFEESA-N 2 2 269.389 0.437 20 0 CCADLP CC(=O)NCCC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000112201408 277030053 /nfs/dbraw/zinc/03/00/53/277030053.db2.gz YQAAUFPUZDHPMV-OAHLLOKOSA-N 2 2 283.416 0.557 20 0 CCADLP CC(=O)NCCC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000112201408 277030054 /nfs/dbraw/zinc/03/00/54/277030054.db2.gz YQAAUFPUZDHPMV-OAHLLOKOSA-N 2 2 283.416 0.557 20 0 CCADLP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)CC[C@H]21 ZINC000262999579 277067313 /nfs/dbraw/zinc/06/73/13/277067313.db2.gz OPMKHNCWDZLSPN-IJLUTSLNSA-N 2 2 287.354 0.926 20 0 CCADLP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)CC[C@H]21 ZINC000262999579 277067314 /nfs/dbraw/zinc/06/73/14/277067314.db2.gz OPMKHNCWDZLSPN-IJLUTSLNSA-N 2 2 287.354 0.926 20 0 CCADLP CC(=O)[C@@H](NC(=O)C[NH2+][C@@H]1CCCC[C@H]1[NH3+])C(C)C ZINC000424302610 277095211 /nfs/dbraw/zinc/09/52/11/277095211.db2.gz ZZTFHWVJLDQWNF-BZPMIXESSA-N 2 2 269.389 0.576 20 0 CCADLP CC(=O)[C@](C)(O)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000347752875 277100532 /nfs/dbraw/zinc/10/05/32/277100532.db2.gz SYZPGTUYZDZPKS-CQSZACIVSA-N 2 2 254.374 0.887 20 0 CCADLP C[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@H]21 ZINC000355039261 277122348 /nfs/dbraw/zinc/12/23/48/277122348.db2.gz RWIOPXAIDMWZBJ-RWMBFGLXSA-N 2 2 290.367 0.302 20 0 CCADLP C[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)C[C@@H]21 ZINC000355039261 277122349 /nfs/dbraw/zinc/12/23/49/277122349.db2.gz RWIOPXAIDMWZBJ-RWMBFGLXSA-N 2 2 290.367 0.302 20 0 CCADLP CNC(=O)[C@H]1CCC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000331105933 277251305 /nfs/dbraw/zinc/25/13/05/277251305.db2.gz GHGPLXDUMNUFJR-NSHDSACASA-N 2 2 279.388 0.444 20 0 CCADLP CNC(=O)[C@H]1CCC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000331105933 277251306 /nfs/dbraw/zinc/25/13/06/277251306.db2.gz GHGPLXDUMNUFJR-NSHDSACASA-N 2 2 279.388 0.444 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)C1 ZINC000430918682 277279860 /nfs/dbraw/zinc/27/98/60/277279860.db2.gz NTSULQUTOMJCKC-GXTWGEPZSA-N 2 2 291.399 0.457 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)C1 ZINC000430918682 277279862 /nfs/dbraw/zinc/27/98/62/277279862.db2.gz NTSULQUTOMJCKC-GXTWGEPZSA-N 2 2 291.399 0.457 20 0 CCADLP C[C@@H](NC(=O)NCc1ccc(N(C)C)[nH+]c1)[C@H](C)[NH3+] ZINC000417007860 277608675 /nfs/dbraw/zinc/60/86/75/277608675.db2.gz LLLHRKKWRFCQJH-VHSXEESVSA-N 2 2 265.361 0.683 20 0 CCADLP CO[C@H]1COCC[C@@H]1C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000425374616 277751153 /nfs/dbraw/zinc/75/11/53/277751153.db2.gz XNYMRHRQIRWGRE-YPMHNXCESA-N 2 2 282.388 0.627 20 0 CCADLP CC(C)n1ncnc1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000434469559 278152977 /nfs/dbraw/zinc/15/29/77/278152977.db2.gz JLZVWSVEERZYRB-UHFFFAOYSA-N 2 2 294.447 0.928 20 0 CCADLP CC(C)n1ncnc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000434469559 278152979 /nfs/dbraw/zinc/15/29/79/278152979.db2.gz JLZVWSVEERZYRB-UHFFFAOYSA-N 2 2 294.447 0.928 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000423110275 278372974 /nfs/dbraw/zinc/37/29/74/278372974.db2.gz VLJSQMMLTJDMHC-KBPBESRZSA-N 3 2 268.449 0.600 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000423110275 278372975 /nfs/dbraw/zinc/37/29/75/278372975.db2.gz VLJSQMMLTJDMHC-KBPBESRZSA-N 3 2 268.449 0.600 20 0 CCADLP CC1CC[NH+](CC(=O)N2CC[NH2+]C[C@@H]2C(F)F)CC1 ZINC000514863731 278538162 /nfs/dbraw/zinc/53/81/62/278538162.db2.gz IXIMDKOVYWSHMK-LLVKDONJSA-N 2 2 275.343 0.784 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[C@@H]2OCC[NH+](C)[C@@H]2C1 ZINC000488364220 288085194 /nfs/dbraw/zinc/08/51/94/288085194.db2.gz HDMSMTGZHQJQAD-RQJABVFESA-N 2 2 281.400 0.116 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[C@@H]2OCC[NH+](C)[C@@H]2C1 ZINC000488364220 288085196 /nfs/dbraw/zinc/08/51/96/288085196.db2.gz HDMSMTGZHQJQAD-RQJABVFESA-N 2 2 281.400 0.116 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000488364220 288085198 /nfs/dbraw/zinc/08/51/98/288085198.db2.gz HDMSMTGZHQJQAD-RQJABVFESA-N 2 2 281.400 0.116 20 0 CCADLP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)N1CC[C@@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000488364220 288085199 /nfs/dbraw/zinc/08/51/99/288085199.db2.gz HDMSMTGZHQJQAD-RQJABVFESA-N 2 2 281.400 0.116 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000336383560 288089854 /nfs/dbraw/zinc/08/98/54/288089854.db2.gz JQHNTBLFJMZLDJ-RISCZKNCSA-N 2 2 265.401 0.927 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000336383560 288089857 /nfs/dbraw/zinc/08/98/57/288089857.db2.gz JQHNTBLFJMZLDJ-RISCZKNCSA-N 2 2 265.401 0.927 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)CCc1c[nH+]cn1C ZINC000339092264 279355805 /nfs/dbraw/zinc/35/58/05/279355805.db2.gz WPNLVOWYVPYFEQ-UHFFFAOYSA-N 2 2 252.362 0.809 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)CCc1c[nH+]cn1C ZINC000339092264 279355807 /nfs/dbraw/zinc/35/58/07/279355807.db2.gz WPNLVOWYVPYFEQ-UHFFFAOYSA-N 2 2 252.362 0.809 20 0 CCADLP C[C@H](CS(C)(=O)=O)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000081900497 279364650 /nfs/dbraw/zinc/36/46/50/279364650.db2.gz KVKPTOSWCIHKHW-MNOVXSKESA-N 2 2 260.403 0.493 20 0 CCADLP C[C@H](CS(C)(=O)=O)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000081900497 279364652 /nfs/dbraw/zinc/36/46/52/279364652.db2.gz KVKPTOSWCIHKHW-MNOVXSKESA-N 2 2 260.403 0.493 20 0 CCADLP C[C@H]1C[C@H]1N1C[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1=O ZINC000422919525 280020980 /nfs/dbraw/zinc/02/09/80/280020980.db2.gz JWEFAHXJKDVHCC-RXGFPQBGSA-N 2 2 251.374 0.583 20 0 CCADLP CC[C@@H](C(=O)NC(C)(C)C[NH+]1CCN(CC)CC1)[NH+](C)C ZINC000413847403 280074946 /nfs/dbraw/zinc/07/49/46/280074946.db2.gz UGLLNCHINREQCC-AWEZNQCLSA-N 2 2 298.475 0.859 20 0 CCADLP C[C@H]1[C@@H](NC(=O)N2CCn3cc[nH+]c3C2)CCC[N@@H+]1C ZINC000345735826 280104525 /nfs/dbraw/zinc/10/45/25/280104525.db2.gz DBTCRUZYTQXOTI-RYUDHWBXSA-N 2 2 277.372 0.891 20 0 CCADLP C[C@H]1[C@@H](NC(=O)N2CCn3cc[nH+]c3C2)CCC[N@H+]1C ZINC000345735826 280104526 /nfs/dbraw/zinc/10/45/26/280104526.db2.gz DBTCRUZYTQXOTI-RYUDHWBXSA-N 2 2 277.372 0.891 20 0 CCADLP CC(C)[C@H](C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)[NH+](C)C ZINC000106918169 280182497 /nfs/dbraw/zinc/18/24/97/280182497.db2.gz OXVZJDYHYOPKIA-MGPQQGTHSA-N 2 2 285.432 0.798 20 0 CCADLP CC(C)[C@H](C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000400552573 280255338 /nfs/dbraw/zinc/25/53/38/280255338.db2.gz YFGUVVJAWQMMPL-PMPSAXMXSA-N 3 2 282.476 0.989 20 0 CCADLP O=C1[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)CCCN1CC(F)(F)F ZINC000415086236 280315498 /nfs/dbraw/zinc/31/54/98/280315498.db2.gz RUVJTGTUUZOZKX-ZJUUUORDSA-N 2 2 279.306 0.881 20 0 CCADLP CC[C@@H]1CN(CC[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)CCO1 ZINC000423090611 280415008 /nfs/dbraw/zinc/41/50/08/280415008.db2.gz VUTCLOQAVXELNE-SOUVJXGZSA-N 2 2 285.432 0.454 20 0 CCADLP C[C@@H]1C[N@@H+]([C@H]2CCN(C)C2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343918799 288253445 /nfs/dbraw/zinc/25/34/45/288253445.db2.gz FSGRXOIZWGYKCT-ILXRZTDVSA-N 2 2 294.443 0.175 20 0 CCADLP C[C@@H]1C[N@H+]([C@H]2CCN(C)C2=O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343918799 288253446 /nfs/dbraw/zinc/25/34/46/288253446.db2.gz FSGRXOIZWGYKCT-ILXRZTDVSA-N 2 2 294.443 0.175 20 0 CCADLP C[NH+](C)C1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC000373574884 289071163 /nfs/dbraw/zinc/07/11/63/289071163.db2.gz FOSRGPAJLOODAP-CQSZACIVSA-N 2 2 281.400 0.402 20 0 CCADLP C[NH+](C)C1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC000373574884 289071169 /nfs/dbraw/zinc/07/11/69/289071169.db2.gz FOSRGPAJLOODAP-CQSZACIVSA-N 2 2 281.400 0.402 20 0 CCADLP C[NH+](C)C[C@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CCO1 ZINC000333356851 289216801 /nfs/dbraw/zinc/21/68/01/289216801.db2.gz WUBSUGDDHYDBRH-OLZOCXBDSA-N 2 2 292.383 0.235 20 0 CCADLP CN(C)[C@H](C(=O)N(C)[C@@H]1CCC[N@H+](C)C1)c1c[nH+]cn1C ZINC000280935755 289343368 /nfs/dbraw/zinc/34/33/68/289343368.db2.gz KURSYBYODKHHOP-OCCSQVGLSA-N 2 2 293.415 0.575 20 0 CCADLP CN(C)[C@H](C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)c1c[nH+]cn1C ZINC000280935755 289343372 /nfs/dbraw/zinc/34/33/72/289343372.db2.gz KURSYBYODKHHOP-OCCSQVGLSA-N 2 2 293.415 0.575 20 0 CCADLP COCCn1cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cn1 ZINC000424369281 292735817 /nfs/dbraw/zinc/73/58/17/292735817.db2.gz RDZQTIWDRHMSDA-CHWSQXEVSA-N 2 2 252.362 0.889 20 0 CCADLP COC[C@]1(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CCC[NH2+]1 ZINC000423420388 293295871 /nfs/dbraw/zinc/29/58/71/293295871.db2.gz WUUHFGMVJOBTPW-MELADBBJSA-N 3 2 255.406 0.733 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C[NH+](C)C)C[C@H](C)O1 ZINC000171396043 297013752 /nfs/dbraw/zinc/01/37/52/297013752.db2.gz BTXDMMPYQBQVNG-MJBXVCDLSA-N 2 2 283.416 0.648 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C[NH+](C)C)C[C@H](C)O1 ZINC000171396043 297013755 /nfs/dbraw/zinc/01/37/55/297013755.db2.gz BTXDMMPYQBQVNG-MJBXVCDLSA-N 2 2 283.416 0.648 20 0 CCADLP CO[C@H](C)[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000360895565 294333051 /nfs/dbraw/zinc/33/30/51/294333051.db2.gz XGNKYZOKDDVSPD-MJBXVCDLSA-N 2 2 285.432 0.942 20 0 CCADLP CO[C@H](C)[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000360895565 294333053 /nfs/dbraw/zinc/33/30/53/294333053.db2.gz XGNKYZOKDDVSPD-MJBXVCDLSA-N 2 2 285.432 0.942 20 0 CCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cocn1 ZINC000261971008 295226703 /nfs/dbraw/zinc/22/67/03/295226703.db2.gz IFWNFBFKHAAPTF-GFCCVEGCSA-N 2 2 266.345 0.494 20 0 CCADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cocn1 ZINC000261971008 295226705 /nfs/dbraw/zinc/22/67/05/295226705.db2.gz IFWNFBFKHAAPTF-GFCCVEGCSA-N 2 2 266.345 0.494 20 0 CCADLP [NH3+]CCNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000416884435 295233758 /nfs/dbraw/zinc/23/37/58/295233758.db2.gz DFMURIDAZGCKNP-AWEZNQCLSA-N 2 2 292.383 0.318 20 0 CCADLP CO[C@@]1(CO)CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000401736395 545090318 /nfs/dbraw/zinc/09/03/18/545090318.db2.gz YRXRJMJTGXXIFN-ZDUSSCGKSA-N 2 2 253.346 0.747 20 0 CCADLP CO[C@@]1(CO)CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000401736395 545090319 /nfs/dbraw/zinc/09/03/19/545090319.db2.gz YRXRJMJTGXXIFN-ZDUSSCGKSA-N 2 2 253.346 0.747 20 0 CCADLP CC(=O)NC1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000388560944 545086626 /nfs/dbraw/zinc/08/66/26/545086626.db2.gz CGBVLKIXWNLAAH-AWEZNQCLSA-N 2 2 269.389 0.042 20 0 CCADLP CC(=O)NC1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000388560944 545086627 /nfs/dbraw/zinc/08/66/27/545086627.db2.gz CGBVLKIXWNLAAH-AWEZNQCLSA-N 2 2 269.389 0.042 20 0 CCADLP CCC[N@@H+]1CC[C@@H](N[C@@H]2CC[NH+](CCOC)C2)C1 ZINC000389428474 545086915 /nfs/dbraw/zinc/08/69/15/545086915.db2.gz XLJFKJBFSCAQOF-ZIAGYGMSSA-N 2 2 255.406 0.781 20 0 CCADLP CCC[N@H+]1CC[C@@H](N[C@@H]2CC[NH+](CCOC)C2)C1 ZINC000389428474 545086916 /nfs/dbraw/zinc/08/69/16/545086916.db2.gz XLJFKJBFSCAQOF-ZIAGYGMSSA-N 2 2 255.406 0.781 20 0 CCADLP CCC[NH+]1CC[C@@H](N[C@@H]2CC[N@H+](CCOC)C2)C1 ZINC000389428474 545086917 /nfs/dbraw/zinc/08/69/17/545086917.db2.gz XLJFKJBFSCAQOF-ZIAGYGMSSA-N 2 2 255.406 0.781 20 0 CCADLP CCC[NH+]1CC[C@@H](N[C@@H]2CC[N@@H+](CCOC)C2)C1 ZINC000389428474 545086918 /nfs/dbraw/zinc/08/69/18/545086918.db2.gz XLJFKJBFSCAQOF-ZIAGYGMSSA-N 2 2 255.406 0.781 20 0 CCADLP C[C@H](NC(=O)C[N@H+](C)C[C@@H](O)C[NH3+])c1ccc(F)cc1 ZINC000336829651 299047805 /nfs/dbraw/zinc/04/78/05/299047805.db2.gz DHDVICNLSDBSHF-GWCFXTLKSA-N 2 2 283.347 0.254 20 0 CCADLP C[C@H](NC(=O)C[N@@H+](C)C[C@@H](O)C[NH3+])c1ccc(F)cc1 ZINC000336829651 299047808 /nfs/dbraw/zinc/04/78/08/299047808.db2.gz DHDVICNLSDBSHF-GWCFXTLKSA-N 2 2 283.347 0.254 20 0 CCADLP C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000570963104 327965511 /nfs/dbraw/zinc/96/55/11/327965511.db2.gz PYJANTXAKRVYJR-CHWSQXEVSA-N 2 2 291.395 0.984 20 0 CCADLP CSC[C@@H](O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000565536049 326950321 /nfs/dbraw/zinc/95/03/21/326950321.db2.gz RXSDUYBBPKGEKD-JTQLQIEISA-N 2 2 258.391 0.300 20 0 CCADLP CC[C@@H]1C[C@H](CN2CC[N@H+](C)C[C@H]2C[NH3+])CCO1 ZINC000584231986 327070904 /nfs/dbraw/zinc/07/09/04/327070904.db2.gz YSQJJNJKHDXTAH-MGPQQGTHSA-N 2 2 255.406 0.766 20 0 CCADLP CC[C@@H]1C[C@H](CN2CC[N@@H+](C)C[C@H]2C[NH3+])CCO1 ZINC000584231986 327070905 /nfs/dbraw/zinc/07/09/05/327070905.db2.gz YSQJJNJKHDXTAH-MGPQQGTHSA-N 2 2 255.406 0.766 20 0 CCADLP CC(C)COC[C@H](O)C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000573206803 327125421 /nfs/dbraw/zinc/12/54/21/327125421.db2.gz OLWLMVUQRGVHLY-HUUCEWRRSA-N 2 2 288.432 0.456 20 0 CCADLP CC(C)COC[C@H](O)C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000573206803 327125422 /nfs/dbraw/zinc/12/54/22/327125422.db2.gz OLWLMVUQRGVHLY-HUUCEWRRSA-N 2 2 288.432 0.456 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000584286467 327218540 /nfs/dbraw/zinc/21/85/40/327218540.db2.gz QWACRKUXLQKAKT-KBXIAJHMSA-N 2 2 296.415 0.331 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000168669815 327287635 /nfs/dbraw/zinc/28/76/35/327287635.db2.gz DKTOIEJQUOMSJZ-QWRGUYRKSA-N 2 2 282.388 0.424 20 0 CCADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CCCC2)C1 ZINC000168669815 327287636 /nfs/dbraw/zinc/28/76/36/327287636.db2.gz DKTOIEJQUOMSJZ-QWRGUYRKSA-N 2 2 282.388 0.424 20 0 CCADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000387522381 327297588 /nfs/dbraw/zinc/29/75/88/327297588.db2.gz KODRIMFTHRRPHW-OLZOCXBDSA-N 2 2 285.432 0.848 20 0 CCADLP C[C@@H]1CC[C@H](CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])C1 ZINC000583371184 327329059 /nfs/dbraw/zinc/32/90/59/327329059.db2.gz JIEAJPBNRUTJNT-AGIUHOORSA-N 2 2 268.405 0.707 20 0 CCADLP C[C@@H]1CC[C@H](CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])C1 ZINC000583371184 327329061 /nfs/dbraw/zinc/32/90/61/327329061.db2.gz JIEAJPBNRUTJNT-AGIUHOORSA-N 2 2 268.405 0.707 20 0 CCADLP CCC1(C[NH2+]C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)COC1 ZINC000574512070 327341050 /nfs/dbraw/zinc/34/10/50/327341050.db2.gz FTGUSPXEVOJXLO-MJBXVCDLSA-N 2 2 286.416 0.473 20 0 CCADLP CCC1(C[NH2+]C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)COC1 ZINC000574512070 327341051 /nfs/dbraw/zinc/34/10/51/327341051.db2.gz FTGUSPXEVOJXLO-MJBXVCDLSA-N 2 2 286.416 0.473 20 0 CCADLP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C[C@H](O)C[NH+](C)C)c1 ZINC000574878652 327390957 /nfs/dbraw/zinc/39/09/57/327390957.db2.gz VTVNRLKOUNLSNJ-GJZGRUSLSA-N 2 2 296.411 0.555 20 0 CCADLP C[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)C1C[NH2+]C1 ZINC000582354537 328968417 /nfs/dbraw/zinc/96/84/17/328968417.db2.gz ZZURFKHYBGQQDX-LLVKDONJSA-N 3 2 261.373 0.511 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000582861904 329278090 /nfs/dbraw/zinc/27/80/90/329278090.db2.gz BMNKNFHZOQLWQS-NWDGAFQWSA-N 2 2 264.373 0.902 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000582854755 329280731 /nfs/dbraw/zinc/28/07/31/329280731.db2.gz XPUYWQDWAJEBNI-LLVKDONJSA-N 2 2 262.357 0.895 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000582854755 329280732 /nfs/dbraw/zinc/28/07/32/329280732.db2.gz XPUYWQDWAJEBNI-LLVKDONJSA-N 2 2 262.357 0.895 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000582972795 329296903 /nfs/dbraw/zinc/29/69/03/329296903.db2.gz RSLOOQSAUACFSQ-KGLIPLIRSA-N 2 2 281.404 0.303 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000582972795 329296904 /nfs/dbraw/zinc/29/69/04/329296904.db2.gz RSLOOQSAUACFSQ-KGLIPLIRSA-N 2 2 281.404 0.303 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000582972795 329296905 /nfs/dbraw/zinc/29/69/05/329296905.db2.gz RSLOOQSAUACFSQ-KGLIPLIRSA-N 2 2 281.404 0.303 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000582972795 329296906 /nfs/dbraw/zinc/29/69/06/329296906.db2.gz RSLOOQSAUACFSQ-KGLIPLIRSA-N 2 2 281.404 0.303 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](Cn2ccnn2)C1 ZINC000582972791 329297152 /nfs/dbraw/zinc/29/71/52/329297152.db2.gz RSLOOQSAUACFSQ-KBPBESRZSA-N 2 2 281.404 0.303 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](Cn2ccnn2)C1 ZINC000582972791 329297154 /nfs/dbraw/zinc/29/71/54/329297154.db2.gz RSLOOQSAUACFSQ-KBPBESRZSA-N 2 2 281.404 0.303 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000582972791 329297155 /nfs/dbraw/zinc/29/71/55/329297155.db2.gz RSLOOQSAUACFSQ-KBPBESRZSA-N 2 2 281.404 0.303 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000582972791 329297157 /nfs/dbraw/zinc/29/71/57/329297157.db2.gz RSLOOQSAUACFSQ-KBPBESRZSA-N 2 2 281.404 0.303 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000583034726 329305804 /nfs/dbraw/zinc/30/58/04/329305804.db2.gz OUERWAQMHIQDMF-GFCCVEGCSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000583034726 329305806 /nfs/dbraw/zinc/30/58/06/329305806.db2.gz OUERWAQMHIQDMF-GFCCVEGCSA-N 2 2 294.399 0.815 20 0 CCADLP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000583203627 329362983 /nfs/dbraw/zinc/36/29/83/329362983.db2.gz OCOPZSXQVGHZOH-RISCZKNCSA-N 2 2 283.335 0.701 20 0 CCADLP CCn1cc[nH+]c1CN1CC[NH2+]C[C@H]1c1nccn1C ZINC000583204799 329364453 /nfs/dbraw/zinc/36/44/53/329364453.db2.gz VLDVLWBEKGZCOR-LBPRGKRZSA-N 2 2 274.372 0.783 20 0 CCADLP C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC000583889520 329530252 /nfs/dbraw/zinc/53/02/52/329530252.db2.gz NJDKCGPANCRSEZ-CHWSQXEVSA-N 2 2 276.384 0.856 20 0 CCADLP CCNC(=O)[C@@H]([NH2+]Cc1c[nH+]c(C)n1C)C(C)C ZINC000580451796 330138577 /nfs/dbraw/zinc/13/85/77/330138577.db2.gz LNFNKQMKBOAZHS-LBPRGKRZSA-N 2 2 252.362 0.979 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCS[C@H]2COCC[C@H]21 ZINC000575427622 335103051 /nfs/dbraw/zinc/10/30/51/335103051.db2.gz WWRKDVRUGFLQCZ-XQQFMLRXSA-N 2 2 274.430 0.505 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCS[C@H]2COCC[C@H]21 ZINC000575427622 335103052 /nfs/dbraw/zinc/10/30/52/335103052.db2.gz WWRKDVRUGFLQCZ-XQQFMLRXSA-N 2 2 274.430 0.505 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000575427622 335103054 /nfs/dbraw/zinc/10/30/54/335103054.db2.gz WWRKDVRUGFLQCZ-XQQFMLRXSA-N 2 2 274.430 0.505 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000575427622 335103055 /nfs/dbraw/zinc/10/30/55/335103055.db2.gz WWRKDVRUGFLQCZ-XQQFMLRXSA-N 2 2 274.430 0.505 20 0 CCADLP C[C@@H](C(=O)N[C@H]1CCn2cc[nH+]c2C1)[NH+]1CCSCC1 ZINC000333008821 334843775 /nfs/dbraw/zinc/84/37/75/334843775.db2.gz MOGAGRHDWRUIGN-RYUDHWBXSA-N 2 2 294.424 0.751 20 0 CCADLP O=C(NCc1ccn2cc[nH+]c2c1)NC[C@@H]1CCC[NH2+]1 ZINC000575853215 335123882 /nfs/dbraw/zinc/12/38/82/335123882.db2.gz JTRBRPLXBAZFCK-LBPRGKRZSA-N 2 2 273.340 0.886 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@H](CO)Cc1ccc(F)cc1)C1CC1 ZINC000575869052 335126423 /nfs/dbraw/zinc/12/64/23/335126423.db2.gz VXKOOOXCAYZRII-HOCLYGCPSA-N 2 2 296.386 0.774 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H](CO)Cc1ccc(F)cc1)C1CC1 ZINC000575869052 335126425 /nfs/dbraw/zinc/12/64/25/335126425.db2.gz VXKOOOXCAYZRII-HOCLYGCPSA-N 2 2 296.386 0.774 20 0 CCADLP C[NH2+]CC1CC[NH+](Cc2ncnn2CC(F)F)CC1 ZINC000575989135 335139029 /nfs/dbraw/zinc/13/90/29/335139029.db2.gz QPXRNUBTQVYEHO-UHFFFAOYSA-N 2 2 273.331 0.975 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C[C@H]([NH3+])c2ccccc2)CCO1 ZINC000576111092 335156169 /nfs/dbraw/zinc/15/61/69/335156169.db2.gz KFCYJOJVALTHRE-HIFRSBDPSA-N 2 2 291.395 0.913 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C[C@H]([NH3+])c2ccccc2)CCO1 ZINC000576111092 335156170 /nfs/dbraw/zinc/15/61/70/335156170.db2.gz KFCYJOJVALTHRE-HIFRSBDPSA-N 2 2 291.395 0.913 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cc(=O)n2ccccc2n1 ZINC000576231298 335175054 /nfs/dbraw/zinc/17/50/54/335175054.db2.gz BTUFZORUVMHEHZ-NEPJUHHUSA-N 2 2 258.325 0.664 20 0 CCADLP Cn1cc[nH+]c1CN1CC[NH+](CC[C@@H]2CCNC2=O)CC1 ZINC000565960079 334612587 /nfs/dbraw/zinc/61/25/87/334612587.db2.gz XUIJNGLCFJLKPX-ZDUSSCGKSA-N 2 2 291.399 0.064 20 0 CCADLP [NH3+][C@H]1C[C@H]2CN(c3[nH]c4ccccc4[nH+]3)CCN2C1=O ZINC000572855724 334884851 /nfs/dbraw/zinc/88/48/51/334884851.db2.gz KHPZWLAZVGTBNQ-UWVGGRQHSA-N 2 2 271.324 0.311 20 0 CCADLP CO[C@@H]1CCN(Cc2cc[nH+]c(N)c2)[C@@H](C[NH3+])C1 ZINC000573001185 334899788 /nfs/dbraw/zinc/89/97/88/334899788.db2.gz HBSYPGQSSVKKLK-VXGBXAGGSA-N 2 2 250.346 0.432 20 0 CCADLP CC(C)CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175517150 335187096 /nfs/dbraw/zinc/18/70/96/335187096.db2.gz WTMZDXHGPOTBMD-UHFFFAOYSA-N 2 2 270.421 0.968 20 0 CCADLP COC[C@@H](O)C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000576400109 335199171 /nfs/dbraw/zinc/19/91/71/335199171.db2.gz WHDZIYUZCDMJMV-CVEARBPZSA-N 2 2 294.395 0.003 20 0 CCADLP COC[C@@H](O)C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000576400109 335199172 /nfs/dbraw/zinc/19/91/72/335199172.db2.gz WHDZIYUZCDMJMV-CVEARBPZSA-N 2 2 294.395 0.003 20 0 CCADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]Cc1cnc2cnccn12 ZINC000576431276 335202745 /nfs/dbraw/zinc/20/27/45/335202745.db2.gz JBZKIHLZXSIZJU-CYBMUJFWSA-N 2 2 289.383 0.666 20 0 CCADLP OCC[N@H+]1CCCC[C@@H]1C[NH2+]Cc1cnc2cnccn12 ZINC000576431276 335202747 /nfs/dbraw/zinc/20/27/47/335202747.db2.gz JBZKIHLZXSIZJU-CYBMUJFWSA-N 2 2 289.383 0.666 20 0 CCADLP CCCC[N@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC000576609444 335226011 /nfs/dbraw/zinc/22/60/11/335226011.db2.gz UPJKYRRTPPASDP-UHFFFAOYSA-N 2 2 252.362 0.811 20 0 CCADLP CCCC[N@@H+](C)CCNC(=O)Cc1c[nH+]cn1C ZINC000576609444 335226013 /nfs/dbraw/zinc/22/60/13/335226013.db2.gz UPJKYRRTPPASDP-UHFFFAOYSA-N 2 2 252.362 0.811 20 0 CCADLP [NH3+]CC(F)(F)CC(=O)NCCNc1cccc[nH+]1 ZINC000576834454 335253646 /nfs/dbraw/zinc/25/36/46/335253646.db2.gz LGXCFDLBMISAJY-UHFFFAOYSA-N 2 2 258.272 0.594 20 0 CCADLP [NH3+][C@@H](C(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1cscn1 ZINC000576984054 335273416 /nfs/dbraw/zinc/27/34/16/335273416.db2.gz JNKAGHXKTYGMFN-CMPLNLGQSA-N 2 2 280.397 0.840 20 0 CCADLP CC[NH2+]CCCNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000577163510 335312832 /nfs/dbraw/zinc/31/28/32/335312832.db2.gz DPAANMBESKKIIR-UHFFFAOYSA-N 2 2 279.388 0.946 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H]([NH3+])C2)CC1 ZINC000577221554 335325322 /nfs/dbraw/zinc/32/53/22/335325322.db2.gz WWIIVZMQVJWCNB-OAHLLOKOSA-N 3 2 268.449 0.826 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H]([NH3+])C2)CC1 ZINC000577221554 335325324 /nfs/dbraw/zinc/32/53/24/335325324.db2.gz WWIIVZMQVJWCNB-OAHLLOKOSA-N 3 2 268.449 0.826 20 0 CCADLP C[C@H]([C@H](C)NC(=O)C1([NH3+])CCC1)[NH+]1CCOCC1 ZINC000577369436 335343471 /nfs/dbraw/zinc/34/34/71/335343471.db2.gz COGJBLRQMRUWLN-WDEREUQCSA-N 2 2 255.362 0.093 20 0 CCADLP CC[C@]1(C)COCC[N@@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000577623094 335380173 /nfs/dbraw/zinc/38/01/73/335380173.db2.gz DOSAEEPGWXMOTJ-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP CC[C@]1(C)COCC[N@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000577623094 335380174 /nfs/dbraw/zinc/38/01/74/335380174.db2.gz DOSAEEPGWXMOTJ-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP CC[C@]1(C)COCC[NH+]1C[C@H](O)C[N@H+](C)CCOC ZINC000577623094 335380176 /nfs/dbraw/zinc/38/01/76/335380176.db2.gz DOSAEEPGWXMOTJ-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP CC[C@]1(C)COCC[NH+]1C[C@H](O)C[N@@H+](C)CCOC ZINC000577623094 335380178 /nfs/dbraw/zinc/38/01/78/335380178.db2.gz DOSAEEPGWXMOTJ-ZIAGYGMSSA-N 2 2 274.405 0.426 20 0 CCADLP COCCOCC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000578135504 335520256 /nfs/dbraw/zinc/52/02/56/335520256.db2.gz HLGIIGNLPZOBAY-UHFFFAOYSA-N 2 2 286.416 0.476 20 0 CCADLP COC[C@H](O)C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000578521790 335644889 /nfs/dbraw/zinc/64/48/89/335644889.db2.gz MHJLCAKBMBGVLQ-CYBMUJFWSA-N 2 2 261.325 0.969 20 0 CCADLP C[C@H](CC(=O)N1CC[NH2+]C[C@H]1C(F)F)n1cc[nH+]c1 ZINC000579488147 335772182 /nfs/dbraw/zinc/77/21/82/335772182.db2.gz HOOMGRJIMDFTIN-ZJUUUORDSA-N 2 2 272.299 0.900 20 0 CCADLP O=C(N[C@@H]1CCC[NH2+]C1)C1CC[NH+](CC(F)F)CC1 ZINC000581428357 336075789 /nfs/dbraw/zinc/07/57/89/336075789.db2.gz AODQBMLDBRBVJK-LLVKDONJSA-N 2 2 275.343 0.832 20 0 CCADLP C[C@H](CCCO)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000384791754 336131154 /nfs/dbraw/zinc/13/11/54/336131154.db2.gz WWTHDAQTEZDZEJ-LLVKDONJSA-N 2 2 254.378 0.984 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCC[C@@H]2CCOC2)[C@H](C[NH3+])C1 ZINC000581777369 336145690 /nfs/dbraw/zinc/14/56/90/336145690.db2.gz BRDUYXYKGSQBCJ-CHWSQXEVSA-N 2 2 284.404 0.087 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCC[C@@H]2CCOC2)[C@H](C[NH3+])C1 ZINC000581777369 336145692 /nfs/dbraw/zinc/14/56/92/336145692.db2.gz BRDUYXYKGSQBCJ-CHWSQXEVSA-N 2 2 284.404 0.087 20 0 CCADLP CC[C@@H]1[C@H](CO)CC[N@@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000385585874 336152043 /nfs/dbraw/zinc/15/20/43/336152043.db2.gz AAZBUZYKHSWMHQ-BFHYXJOUSA-N 2 2 274.405 0.018 20 0 CCADLP CC[C@@H]1[C@H](CO)CC[N@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000385585874 336152044 /nfs/dbraw/zinc/15/20/44/336152044.db2.gz AAZBUZYKHSWMHQ-BFHYXJOUSA-N 2 2 274.405 0.018 20 0 CCADLP CC[C@@H]1[C@H](CO)CC[NH+]1C[C@H](O)C[N@H+](C)CCOC ZINC000385585874 336152045 /nfs/dbraw/zinc/15/20/45/336152045.db2.gz AAZBUZYKHSWMHQ-BFHYXJOUSA-N 2 2 274.405 0.018 20 0 CCADLP CC[C@@H]1[C@H](CO)CC[NH+]1C[C@H](O)C[N@@H+](C)CCOC ZINC000385585874 336152046 /nfs/dbraw/zinc/15/20/46/336152046.db2.gz AAZBUZYKHSWMHQ-BFHYXJOUSA-N 2 2 274.405 0.018 20 0 CCADLP CCOC(=O)[C@@](C)(O)C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000581862611 336153609 /nfs/dbraw/zinc/15/36/09/336153609.db2.gz LHQNPXUCFCLNNW-SCRDCRAPSA-N 2 2 270.373 0.469 20 0 CCADLP CCOC(=O)[C@@](C)(O)C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000581862611 336153611 /nfs/dbraw/zinc/15/36/11/336153611.db2.gz LHQNPXUCFCLNNW-SCRDCRAPSA-N 2 2 270.373 0.469 20 0 CCADLP CCOC(=O)[C@@](C)(O)C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000581862611 336153613 /nfs/dbraw/zinc/15/36/13/336153613.db2.gz LHQNPXUCFCLNNW-SCRDCRAPSA-N 2 2 270.373 0.469 20 0 CCADLP CCOC(=O)[C@@](C)(O)C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000581862611 336153614 /nfs/dbraw/zinc/15/36/14/336153614.db2.gz LHQNPXUCFCLNNW-SCRDCRAPSA-N 2 2 270.373 0.469 20 0 CCADLP CC[N@H+](C[C@@H](O)C[NH+](C)CCOC)[C@@H]1CCOC1 ZINC000386326346 336170844 /nfs/dbraw/zinc/17/08/44/336170844.db2.gz JIIGVQFWYPCBCQ-OLZOCXBDSA-N 2 2 260.378 0.036 20 0 CCADLP CC[N@@H+](C[C@@H](O)C[NH+](C)CCOC)[C@@H]1CCOC1 ZINC000386326346 336170845 /nfs/dbraw/zinc/17/08/45/336170845.db2.gz JIIGVQFWYPCBCQ-OLZOCXBDSA-N 2 2 260.378 0.036 20 0 CCADLP CC[NH+](C[C@@H](O)C[N@H+](C)CCOC)[C@@H]1CCOC1 ZINC000386326346 336170846 /nfs/dbraw/zinc/17/08/46/336170846.db2.gz JIIGVQFWYPCBCQ-OLZOCXBDSA-N 2 2 260.378 0.036 20 0 CCADLP CC[NH+](C[C@@H](O)C[N@@H+](C)CCOC)[C@@H]1CCOC1 ZINC000386326346 336170848 /nfs/dbraw/zinc/17/08/48/336170848.db2.gz JIIGVQFWYPCBCQ-OLZOCXBDSA-N 2 2 260.378 0.036 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]CCOC1CCCC1)C1CC1 ZINC000386431118 336173955 /nfs/dbraw/zinc/17/39/55/336173955.db2.gz OLQAQKBFAPRSCH-ZDUSSCGKSA-N 2 2 256.390 0.990 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]CCOC1CCCC1)C1CC1 ZINC000386431118 336173957 /nfs/dbraw/zinc/17/39/57/336173957.db2.gz OLQAQKBFAPRSCH-ZDUSSCGKSA-N 2 2 256.390 0.990 20 0 CCADLP C[C@H](CNC(=O)[C@H]([NH3+])c1cscn1)[N@H+](C)C1CC1 ZINC000582000380 336187964 /nfs/dbraw/zinc/18/79/64/336187964.db2.gz KFLCGWZQJLBDSD-LDYMZIIASA-N 2 2 268.386 0.742 20 0 CCADLP C[C@H](CNC(=O)[C@H]([NH3+])c1cscn1)[N@@H+](C)C1CC1 ZINC000582000380 336187966 /nfs/dbraw/zinc/18/79/66/336187966.db2.gz KFLCGWZQJLBDSD-LDYMZIIASA-N 2 2 268.386 0.742 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000417513344 545093976 /nfs/dbraw/zinc/09/39/76/545093976.db2.gz XQJRDAKVOAVCIO-OLZOCXBDSA-N 2 2 298.431 0.666 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000417513344 545093977 /nfs/dbraw/zinc/09/39/77/545093977.db2.gz XQJRDAKVOAVCIO-OLZOCXBDSA-N 2 2 298.431 0.666 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000353434307 521706013 /nfs/dbraw/zinc/70/60/13/521706013.db2.gz RHVSEUYOHPKDSZ-JTQLQIEISA-N 2 2 252.318 0.089 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N(C)Cc2[nH]cc[nH+]2)C1 ZINC000353434307 521706014 /nfs/dbraw/zinc/70/60/14/521706014.db2.gz RHVSEUYOHPKDSZ-JTQLQIEISA-N 2 2 252.318 0.089 20 0 CCADLP C[C@@H](O)[C@H]1CCN(c2cc(NCC[NH+](C)C)nc[nH+]2)C1 ZINC000413025619 533848929 /nfs/dbraw/zinc/84/89/29/533848929.db2.gz REVSWKGJBKXZBH-NEPJUHHUSA-N 2 2 279.388 0.657 20 0 CCADLP C[C@@H](CNC(=O)C[C@H]1CC[NH2+]C1)Cn1cc[nH+]c1 ZINC000427293470 533904065 /nfs/dbraw/zinc/90/40/65/533904065.db2.gz BPIAYUOIPOYOBQ-NWDGAFQWSA-N 2 2 250.346 0.635 20 0 CCADLP C[C@H](CC[NH3+])NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000423531600 533900267 /nfs/dbraw/zinc/90/02/67/533900267.db2.gz QOFYZFUCIKKIKT-YPMHNXCESA-N 2 2 269.389 0.483 20 0 CCADLP C[C@H](CC[NH3+])NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000423531600 533900275 /nfs/dbraw/zinc/90/02/75/533900275.db2.gz QOFYZFUCIKKIKT-YPMHNXCESA-N 2 2 269.389 0.483 20 0 CCADLP COc1ccccc1/C=C/C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000493108592 533942902 /nfs/dbraw/zinc/94/29/02/533942902.db2.gz SNMQKJOVRXWFJT-NPQIQWPPSA-N 2 2 289.379 0.810 20 0 CCADLP COc1ccccc1/C=C/C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000493108592 533942911 /nfs/dbraw/zinc/94/29/11/533942911.db2.gz SNMQKJOVRXWFJT-NPQIQWPPSA-N 2 2 289.379 0.810 20 0 CCADLP C[C@@H](CNC(=O)NCCNc1cccc[nH+]1)[NH+](C)C ZINC000455438581 533955746 /nfs/dbraw/zinc/95/57/46/533955746.db2.gz YJUMRHKBPINYTK-NSHDSACASA-N 2 2 265.361 0.743 20 0 CCADLP C[C@@H]1OCC[C@@H]1[N@H+](CCO)CCCn1cc[nH+]c1 ZINC000361586404 534172999 /nfs/dbraw/zinc/17/29/99/534172999.db2.gz SHVQSBDAXZYLLN-STQMWFEESA-N 2 2 253.346 0.745 20 0 CCADLP C[C@@H]1OCC[C@@H]1[N@@H+](CCO)CCCn1cc[nH+]c1 ZINC000361586404 534173002 /nfs/dbraw/zinc/17/30/02/534173002.db2.gz SHVQSBDAXZYLLN-STQMWFEESA-N 2 2 253.346 0.745 20 0 CCADLP Cc1ccc(O)c(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)n1 ZINC000358167636 534197884 /nfs/dbraw/zinc/19/78/84/534197884.db2.gz NKSQKAVPVHOYBD-CYBMUJFWSA-N 2 2 251.330 0.252 20 0 CCADLP Cc1ccc(O)c(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)n1 ZINC000358167636 534197888 /nfs/dbraw/zinc/19/78/88/534197888.db2.gz NKSQKAVPVHOYBD-CYBMUJFWSA-N 2 2 251.330 0.252 20 0 CCADLP CC(C)[C@H](C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)[NH+](C)C ZINC000363708008 519809258 /nfs/dbraw/zinc/80/92/58/519809258.db2.gz IEHDXZQJMBRJLX-ZIAGYGMSSA-N 2 2 283.416 0.506 20 0 CCADLP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1[nH+]cnc2[nH]ccc21 ZINC000419004354 534470311 /nfs/dbraw/zinc/47/03/11/534470311.db2.gz OEAVTQUZUIJSOQ-WDEREUQCSA-N 2 2 275.356 0.849 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1c1[nH+]cnc2[nH]ccc21 ZINC000419004354 534470317 /nfs/dbraw/zinc/47/03/17/534470317.db2.gz OEAVTQUZUIJSOQ-WDEREUQCSA-N 2 2 275.356 0.849 20 0 CCADLP CC[NH+](CC)CCS(=O)(=O)N1CC[NH+](C(C)C)CC1 ZINC000340044057 520700664 /nfs/dbraw/zinc/70/06/64/520700664.db2.gz JCWJDBVADDLBAQ-UHFFFAOYSA-N 2 2 291.461 0.684 20 0 CCADLP CC[NH+]1CCC([N@H+](C)CC(=O)N2CCOCC2)CC1 ZINC000157422188 521559446 /nfs/dbraw/zinc/55/94/46/521559446.db2.gz IUGIFBUAAVMODJ-UHFFFAOYSA-N 2 2 269.389 0.261 20 0 CCADLP CC[NH+]1CCC([N@@H+](C)CC(=O)N2CCOCC2)CC1 ZINC000157422188 521559450 /nfs/dbraw/zinc/55/94/50/521559450.db2.gz IUGIFBUAAVMODJ-UHFFFAOYSA-N 2 2 269.389 0.261 20 0 CCADLP CC[NH+]1CCC([NH2+][C@@H](C)CS(=O)(=O)CC)CC1 ZINC000163969364 521580750 /nfs/dbraw/zinc/58/07/50/521580750.db2.gz PWVSWJDEUIUZJD-NSHDSACASA-N 2 2 262.419 0.884 20 0 CCADLP CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000339968927 521663203 /nfs/dbraw/zinc/66/32/03/521663203.db2.gz KVYWSXYCLBGRIJ-LBPRGKRZSA-N 2 2 271.430 0.588 20 0 CCADLP CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000339968927 521663204 /nfs/dbraw/zinc/66/32/04/521663204.db2.gz KVYWSXYCLBGRIJ-LBPRGKRZSA-N 2 2 271.430 0.588 20 0 CCADLP [NH3+]CC1(C(=O)NC[C@@H]2CC[NH2+]CC2(F)F)CCCC1 ZINC000449645330 534586876 /nfs/dbraw/zinc/58/68/76/534586876.db2.gz JRXRQVXOSQXBEV-JTQLQIEISA-N 2 2 275.343 0.867 20 0 CCADLP COCC[C@@H]1COCC[N@@H+]1CCn1cc[nH+]c1C ZINC000365848548 521886375 /nfs/dbraw/zinc/88/63/75/521886375.db2.gz RFLRFSDUBXHEQK-CYBMUJFWSA-N 2 2 253.346 0.929 20 0 CCADLP COCC[C@@H]1COCC[N@H+]1CCn1cc[nH+]c1C ZINC000365848548 521886392 /nfs/dbraw/zinc/88/63/92/521886392.db2.gz RFLRFSDUBXHEQK-CYBMUJFWSA-N 2 2 253.346 0.929 20 0 CCADLP COC(=O)C[C@]1([NH2+]CCn2cc[nH+]c2)CCOC1 ZINC000362264031 536363229 /nfs/dbraw/zinc/36/32/29/536363229.db2.gz YIECMMVLTVTKKG-GFCCVEGCSA-N 2 2 253.302 0.195 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261867038 534707916 /nfs/dbraw/zinc/70/79/16/534707916.db2.gz YNQCPFZOIDTCLI-CQSZACIVSA-N 2 2 282.388 0.296 20 0 CCADLP CC(C)(C)NC(=O)NC(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261867038 534707919 /nfs/dbraw/zinc/70/79/19/534707919.db2.gz YNQCPFZOIDTCLI-CQSZACIVSA-N 2 2 282.388 0.296 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000068803568 523890139 /nfs/dbraw/zinc/89/01/39/523890139.db2.gz IWQOYJVSTBEWSN-CQSZACIVSA-N 2 2 291.395 0.793 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000068803568 523890144 /nfs/dbraw/zinc/89/01/44/523890144.db2.gz IWQOYJVSTBEWSN-CQSZACIVSA-N 2 2 291.395 0.793 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000340865635 524567709 /nfs/dbraw/zinc/56/77/09/524567709.db2.gz SGKRXRUJNOLMRQ-UONOGXRCSA-N 2 2 288.395 0.928 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000340865635 524567713 /nfs/dbraw/zinc/56/77/13/524567713.db2.gz SGKRXRUJNOLMRQ-UONOGXRCSA-N 2 2 288.395 0.928 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000365189120 525013927 /nfs/dbraw/zinc/01/39/27/525013927.db2.gz JRACCUBHEQRVNV-WDEREUQCSA-N 2 2 264.373 0.861 20 0 CCADLP C[C@H](O)C[C@@H]1COCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000157023687 525800636 /nfs/dbraw/zinc/80/06/36/525800636.db2.gz WCOZBDXXRRAQOM-QWHCGFSZSA-N 2 2 253.346 0.745 20 0 CCADLP C[C@H](O)C[C@@H]1COCC[N@H+]1CCCn1cc[nH+]c1 ZINC000157023687 525800642 /nfs/dbraw/zinc/80/06/42/525800642.db2.gz WCOZBDXXRRAQOM-QWHCGFSZSA-N 2 2 253.346 0.745 20 0 CCADLP c1cn2c([nH+]1)CC[C@H](Nc1nc[nH+]c3c1OCCN3)C2 ZINC000665695583 545103495 /nfs/dbraw/zinc/10/34/95/545103495.db2.gz CETLVDBMJXXBJY-VIFPVBQESA-N 2 2 272.312 0.904 20 0 CCADLP c1cn2c([nH+]1)CC[C@H](Nc1[nH+]cnc3c1OCCN3)C2 ZINC000665695583 545103496 /nfs/dbraw/zinc/10/34/96/545103496.db2.gz CETLVDBMJXXBJY-VIFPVBQESA-N 2 2 272.312 0.904 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)[NH+]1CCOCC1 ZINC000366667841 526028241 /nfs/dbraw/zinc/02/82/41/526028241.db2.gz GAVHRWJSHQFMLL-DSJMHWKBSA-N 2 2 295.427 0.602 20 0 CCADLP c1nc(N2CC[N@@H+]3CCOC[C@H]3C2)cc(NC2CC2)[nH+]1 ZINC000665711374 545104515 /nfs/dbraw/zinc/10/45/15/545104515.db2.gz GGXYZNOXQCYXBS-GFCCVEGCSA-N 2 2 275.356 0.572 20 0 CCADLP c1nc(N2CC[N@H+]3CCOC[C@H]3C2)cc(NC2CC2)[nH+]1 ZINC000665711374 545104516 /nfs/dbraw/zinc/10/45/16/545104516.db2.gz GGXYZNOXQCYXBS-GFCCVEGCSA-N 2 2 275.356 0.572 20 0 CCADLP CC[N@@H+]1CCN(c2cc(NC[C@H](C)O)[nH+]cn2)C[C@H]1C ZINC000665708735 545104784 /nfs/dbraw/zinc/10/47/84/545104784.db2.gz KBIXJDMMXLTACX-NEPJUHHUSA-N 2 2 279.388 0.800 20 0 CCADLP CC[N@H+]1CCN(c2cc(NC[C@H](C)O)[nH+]cn2)C[C@H]1C ZINC000665708735 545104785 /nfs/dbraw/zinc/10/47/85/545104785.db2.gz KBIXJDMMXLTACX-NEPJUHHUSA-N 2 2 279.388 0.800 20 0 CCADLP O=C(NCc1ccc(N2CCCC2)[nH+]c1)[C@]1(F)CC[NH2+]C1 ZINC000366337556 526680459 /nfs/dbraw/zinc/68/04/59/526680459.db2.gz GOUBTZJPDHITIJ-HNNXBMFYSA-N 2 2 292.358 1.000 20 0 CCADLP Cc1noc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000666601906 545126555 /nfs/dbraw/zinc/12/65/55/545126555.db2.gz NMROQBNUZJTHSD-UHFFFAOYSA-N 2 2 284.364 0.383 20 0 CCADLP Cc1noc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000666601906 545126556 /nfs/dbraw/zinc/12/65/56/545126556.db2.gz NMROQBNUZJTHSD-UHFFFAOYSA-N 2 2 284.364 0.383 20 0 CCADLP CC[NH+]1CCN(C(=O)C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000666652635 545127638 /nfs/dbraw/zinc/12/76/38/545127638.db2.gz AJDFSKPEGRAJGD-UHFFFAOYSA-N 2 2 290.367 0.248 20 0 CCADLP Fc1cccn2cc(C[NH2+]C[C@H]3C[NH2+]CCCO3)nc12 ZINC000666965281 545135969 /nfs/dbraw/zinc/13/59/69/545135969.db2.gz IMGUMLXKPFRPSC-GFCCVEGCSA-N 2 2 278.331 0.942 20 0 CCADLP C[C@@H](NC(=O)N1CCC[N@H+](C)CC1)c1[nH+]ccn1C ZINC000667257366 545142714 /nfs/dbraw/zinc/14/27/14/545142714.db2.gz JQTGTHJAONBDLY-LLVKDONJSA-N 2 2 265.361 0.828 20 0 CCADLP C[C@@H](NC(=O)N1CCC[N@@H+](C)CC1)c1[nH+]ccn1C ZINC000667257366 545142715 /nfs/dbraw/zinc/14/27/15/545142715.db2.gz JQTGTHJAONBDLY-LLVKDONJSA-N 2 2 265.361 0.828 20 0 CCADLP CC[NH+]1CCN(C(=O)N[C@H](C)c2[nH+]ccn2C)CC1 ZINC000667257476 545142719 /nfs/dbraw/zinc/14/27/19/545142719.db2.gz MXEQUJJUHDJKTK-LLVKDONJSA-N 2 2 265.361 0.828 20 0 CCADLP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000050463979 527376185 /nfs/dbraw/zinc/37/61/85/527376185.db2.gz CNUPYHLZWASOJK-NWDGAFQWSA-N 2 2 265.382 0.740 20 0 CCADLP COCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000667993866 545160563 /nfs/dbraw/zinc/16/05/63/545160563.db2.gz NIDZRPJQLJGJPO-VXGBXAGGSA-N 2 2 280.372 0.218 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000667993866 545160564 /nfs/dbraw/zinc/16/05/64/545160564.db2.gz NIDZRPJQLJGJPO-VXGBXAGGSA-N 2 2 280.372 0.218 20 0 CCADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)n1C ZINC000668193564 545166736 /nfs/dbraw/zinc/16/67/36/545166736.db2.gz IMNLOSOXTLRRQE-ZDUSSCGKSA-N 2 2 290.371 0.649 20 0 CCADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)n1C ZINC000668193564 545166737 /nfs/dbraw/zinc/16/67/37/545166737.db2.gz IMNLOSOXTLRRQE-ZDUSSCGKSA-N 2 2 290.371 0.649 20 0 CCADLP Cn1cc[nH+]c1CN1CCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC000668365565 545175390 /nfs/dbraw/zinc/17/53/90/545175390.db2.gz NSSYBEYPETXUTN-UHFFFAOYSA-N 2 2 291.399 0.159 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000668461682 545178766 /nfs/dbraw/zinc/17/87/66/545178766.db2.gz BCTVKJKFRSQKSR-YNEHKIRRSA-N 2 2 276.384 0.982 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000668461682 545178767 /nfs/dbraw/zinc/17/87/67/545178767.db2.gz BCTVKJKFRSQKSR-YNEHKIRRSA-N 2 2 276.384 0.982 20 0 CCADLP CN(C)c1[nH+]cc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)n1C ZINC000668544382 545181209 /nfs/dbraw/zinc/18/12/09/545181209.db2.gz JVMWBUFTMMWYTG-DGCLKSJQSA-N 2 2 291.399 0.587 20 0 CCADLP CN(C)c1[nH+]cc(C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)n1C ZINC000668544382 545181210 /nfs/dbraw/zinc/18/12/10/545181210.db2.gz JVMWBUFTMMWYTG-DGCLKSJQSA-N 2 2 291.399 0.587 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)CC1 ZINC000668640516 545184890 /nfs/dbraw/zinc/18/48/90/545184890.db2.gz TXOLFYRQSNKIKT-RZFFKMDDSA-N 2 2 293.411 0.164 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)CC1 ZINC000668640516 545184891 /nfs/dbraw/zinc/18/48/91/545184891.db2.gz TXOLFYRQSNKIKT-RZFFKMDDSA-N 2 2 293.411 0.164 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000668668036 545186306 /nfs/dbraw/zinc/18/63/06/545186306.db2.gz NKKRTVIWOADSTP-CHWSQXEVSA-N 2 2 292.383 0.314 20 0 CCADLP C[NH+](C)C1(C(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000668722975 545188680 /nfs/dbraw/zinc/18/86/80/545188680.db2.gz KLGICPHUEAZFIC-UHFFFAOYSA-N 2 2 251.374 0.777 20 0 CCADLP CCn1nnc(C)c1C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000668792996 545190723 /nfs/dbraw/zinc/19/07/23/545190723.db2.gz PPCBGLCTXNMWHP-UHFFFAOYSA-N 2 2 289.387 0.662 20 0 CCADLP CCO[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)[C@H]1OC ZINC000425338739 527839963 /nfs/dbraw/zinc/83/99/63/527839963.db2.gz PZSTYKUDMGKIQD-JHJVBQTASA-N 2 2 282.388 0.768 20 0 CCADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCN2CCC(O)CC2)C1 ZINC000449650475 527933760 /nfs/dbraw/zinc/93/37/60/527933760.db2.gz ZGUFQDXUKHSLIX-TZMCWYRMSA-N 2 2 255.406 0.373 20 0 CCADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCN2CCC(O)CC2)C1 ZINC000449650475 527933764 /nfs/dbraw/zinc/93/37/64/527933764.db2.gz ZGUFQDXUKHSLIX-TZMCWYRMSA-N 2 2 255.406 0.373 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)C1 ZINC000358194180 527973677 /nfs/dbraw/zinc/97/36/77/527973677.db2.gz BJICFYQVQBSRLL-XVIXHAIJSA-N 2 2 265.401 0.926 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)C1 ZINC000358194180 527973683 /nfs/dbraw/zinc/97/36/83/527973683.db2.gz BJICFYQVQBSRLL-XVIXHAIJSA-N 2 2 265.401 0.926 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@@H]1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424369341 528091256 /nfs/dbraw/zinc/09/12/56/528091256.db2.gz BLCRXPORSLNVRC-WYUUTHIRSA-N 2 2 255.362 0.140 20 0 CCADLP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424369341 528091262 /nfs/dbraw/zinc/09/12/62/528091262.db2.gz BLCRXPORSLNVRC-WYUUTHIRSA-N 2 2 255.362 0.140 20 0 CCADLP CCNC(=O)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000355338782 528094609 /nfs/dbraw/zinc/09/46/09/528094609.db2.gz UAIMHFPGZNPTMN-CYBMUJFWSA-N 2 2 253.390 0.786 20 0 CCADLP CCNC(=O)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000355338782 528094620 /nfs/dbraw/zinc/09/46/20/528094620.db2.gz UAIMHFPGZNPTMN-CYBMUJFWSA-N 2 2 253.390 0.786 20 0 CCADLP CCNC(=O)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000355338782 528094624 /nfs/dbraw/zinc/09/46/24/528094624.db2.gz UAIMHFPGZNPTMN-CYBMUJFWSA-N 2 2 253.390 0.786 20 0 CCADLP CCNC(=O)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000355338782 528094629 /nfs/dbraw/zinc/09/46/29/528094629.db2.gz UAIMHFPGZNPTMN-CYBMUJFWSA-N 2 2 253.390 0.786 20 0 CCADLP Cc1cccn2cc(CCNC(=O)NCC[NH3+])[nH+]c12 ZINC000669511806 545211564 /nfs/dbraw/zinc/21/15/64/545211564.db2.gz HAVBEOHJGRUAKB-UHFFFAOYSA-N 2 2 261.329 0.443 20 0 CCADLP C[C@@H](NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@H]1C[N@H+](C)CCO1 ZINC000669538573 545213687 /nfs/dbraw/zinc/21/36/87/545213687.db2.gz XNKNVNRXGKPTNC-MQYQWHSLSA-N 2 2 296.415 0.241 20 0 CCADLP C[C@@H](NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@H]1C[N@@H+](C)CCO1 ZINC000669538573 545213688 /nfs/dbraw/zinc/21/36/88/545213688.db2.gz XNKNVNRXGKPTNC-MQYQWHSLSA-N 2 2 296.415 0.241 20 0 CCADLP C[C@H](NC(=O)N1CC[NH2+][C@H](C)[C@@H]1C)[C@H]1C[N@H+](C)CCO1 ZINC000669538428 545213842 /nfs/dbraw/zinc/21/38/42/545213842.db2.gz PXZKAMNLEPHPQF-MROQNXINSA-N 2 2 284.404 0.097 20 0 CCADLP C[C@H](NC(=O)N1CC[NH2+][C@H](C)[C@@H]1C)[C@H]1C[N@@H+](C)CCO1 ZINC000669538428 545213843 /nfs/dbraw/zinc/21/38/43/545213843.db2.gz PXZKAMNLEPHPQF-MROQNXINSA-N 2 2 284.404 0.097 20 0 CCADLP CC(C)[C@@H](CO)[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000451607985 528486040 /nfs/dbraw/zinc/48/60/40/528486040.db2.gz IYHHCSIXJPEADP-GDBMZVCRSA-N 2 2 299.459 0.639 20 0 CCADLP CCC[NH2+]CCNC(=O)NCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000418468110 528492986 /nfs/dbraw/zinc/49/29/86/528492986.db2.gz GIZRFFSGLMALEL-ZDUSSCGKSA-N 2 2 286.420 0.396 20 0 CCADLP CCC[NH2+]CCNC(=O)NCC[N@H+]1CCO[C@@H](CC)C1 ZINC000418468110 528492990 /nfs/dbraw/zinc/49/29/90/528492990.db2.gz GIZRFFSGLMALEL-ZDUSSCGKSA-N 2 2 286.420 0.396 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000449117982 528552591 /nfs/dbraw/zinc/55/25/91/528552591.db2.gz QWOXMUMMHHFDHD-GFCCVEGCSA-N 2 2 271.405 0.602 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000449117982 528552597 /nfs/dbraw/zinc/55/25/97/528552597.db2.gz QWOXMUMMHHFDHD-GFCCVEGCSA-N 2 2 271.405 0.602 20 0 CCADLP CC[N@H+](CCO)CC[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000449251113 528552670 /nfs/dbraw/zinc/55/26/70/528552670.db2.gz QVCFAIQEIFGCRW-CYBMUJFWSA-N 2 2 256.390 0.992 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000449251113 528552674 /nfs/dbraw/zinc/55/26/74/528552674.db2.gz QVCFAIQEIFGCRW-CYBMUJFWSA-N 2 2 256.390 0.992 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428047895 528685759 /nfs/dbraw/zinc/68/57/59/528685759.db2.gz ZXYOJWSBRBBYEI-BFHYXJOUSA-N 2 2 283.416 0.602 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428047895 528685766 /nfs/dbraw/zinc/68/57/66/528685766.db2.gz ZXYOJWSBRBBYEI-BFHYXJOUSA-N 2 2 283.416 0.602 20 0 CCADLP O=C(CCCn1cc[nH+]c1)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000672145463 545262784 /nfs/dbraw/zinc/26/27/84/545262784.db2.gz IPSUTZAJIAPVIM-GFCCVEGCSA-N 2 2 273.340 0.991 20 0 CCADLP C[NH+](C)CCn1cc(NC(=O)CCc2[nH]cc[nH+]2)cn1 ZINC000672818391 545273637 /nfs/dbraw/zinc/27/36/37/545273637.db2.gz JAQLXIQIFPIKKT-UHFFFAOYSA-N 2 2 276.344 0.739 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672876937 545274505 /nfs/dbraw/zinc/27/45/05/545274505.db2.gz WKMTYZWFALZADD-LBPRGKRZSA-N 2 2 262.357 0.943 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672876937 545274506 /nfs/dbraw/zinc/27/45/06/545274506.db2.gz WKMTYZWFALZADD-LBPRGKRZSA-N 2 2 262.357 0.943 20 0 CCADLP CCOC(=O)N1CC[C@H]([NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000495463040 529022450 /nfs/dbraw/zinc/02/24/50/529022450.db2.gz DPEZWWRSTSFQSE-SDDRHHMPSA-N 2 2 255.362 0.757 20 0 CCADLP CCOC(=O)N1CC[C@H]([NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000495463040 529022455 /nfs/dbraw/zinc/02/24/55/529022455.db2.gz DPEZWWRSTSFQSE-SDDRHHMPSA-N 2 2 255.362 0.757 20 0 CCADLP CC1(C)CN(C(=O)CCc2[nH]cc[nH+]2)CC[N@@H+]1CCO ZINC000673113964 545279840 /nfs/dbraw/zinc/27/98/40/545279840.db2.gz LFXCYAOWOFRRGE-UHFFFAOYSA-N 2 2 280.372 0.257 20 0 CCADLP CC1(C)CN(C(=O)CCc2[nH]cc[nH+]2)CC[N@H+]1CCO ZINC000673113964 545279841 /nfs/dbraw/zinc/27/98/41/545279841.db2.gz LFXCYAOWOFRRGE-UHFFFAOYSA-N 2 2 280.372 0.257 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000423675188 529126733 /nfs/dbraw/zinc/12/67/33/529126733.db2.gz ICOMTDRWQINHRH-QWHCGFSZSA-N 2 2 298.431 0.029 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000423675188 529126735 /nfs/dbraw/zinc/12/67/35/529126735.db2.gz ICOMTDRWQINHRH-QWHCGFSZSA-N 2 2 298.431 0.029 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000428045512 529132297 /nfs/dbraw/zinc/13/22/97/529132297.db2.gz QEWVBGHPUMUNHT-ZNMIVQPWSA-N 3 2 294.443 0.223 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000428045512 529132301 /nfs/dbraw/zinc/13/23/01/529132301.db2.gz QEWVBGHPUMUNHT-ZNMIVQPWSA-N 3 2 294.443 0.223 20 0 CCADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC000673642806 545289689 /nfs/dbraw/zinc/28/96/89/545289689.db2.gz HAYQCSNYDQCXIE-NSHDSACASA-N 2 2 261.329 0.841 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CC(Oc3cc[nH+]cc3)C2)C1 ZINC000673658048 545290109 /nfs/dbraw/zinc/29/01/09/545290109.db2.gz MDNIUYLLDBPPGN-CYBMUJFWSA-N 2 2 277.324 0.002 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2CC(Oc3cc[nH+]cc3)C2)C1 ZINC000673658048 545290110 /nfs/dbraw/zinc/29/01/10/545290110.db2.gz MDNIUYLLDBPPGN-CYBMUJFWSA-N 2 2 277.324 0.002 20 0 CCADLP CC[C@H]1C[N@H+](CCNC(=O)NC[C@H](C)C[NH2+]C)CCO1 ZINC000418380954 529292566 /nfs/dbraw/zinc/29/25/66/529292566.db2.gz HYSYWOKEBVFMGA-OLZOCXBDSA-N 2 2 286.420 0.252 20 0 CCADLP CC[C@H]1C[N@@H+](CCNC(=O)NC[C@H](C)C[NH2+]C)CCO1 ZINC000418380954 529292568 /nfs/dbraw/zinc/29/25/68/529292568.db2.gz HYSYWOKEBVFMGA-OLZOCXBDSA-N 2 2 286.420 0.252 20 0 CCADLP CC1(C)NC(=O)N(CC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C1=O ZINC000261657573 534979482 /nfs/dbraw/zinc/97/94/82/534979482.db2.gz DVQMKIGEOVAXQL-GHMZBOCLSA-N 2 2 280.372 0.001 20 0 CCADLP CC1(C)NC(=O)N(CC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)C1=O ZINC000261657573 534979489 /nfs/dbraw/zinc/97/94/89/534979489.db2.gz DVQMKIGEOVAXQL-GHMZBOCLSA-N 2 2 280.372 0.001 20 0 CCADLP CC[C@@H](C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)[NH+](C)C ZINC000675720067 545330710 /nfs/dbraw/zinc/33/07/10/545330710.db2.gz HXWFXHYTHSCSTI-KBPBESRZSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCCN(C)S(C)(=O)=O)C[N@@H+]1C1CC1 ZINC000675747297 545331043 /nfs/dbraw/zinc/33/10/43/545331043.db2.gz XPBZYCUKMBYBBJ-NEPJUHHUSA-N 2 2 289.445 0.483 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCCN(C)S(C)(=O)=O)C[N@H+]1C1CC1 ZINC000675747297 545331044 /nfs/dbraw/zinc/33/10/44/545331044.db2.gz XPBZYCUKMBYBBJ-NEPJUHHUSA-N 2 2 289.445 0.483 20 0 CCADLP Cc1nn(C)cc1[C@@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000675781871 545331425 /nfs/dbraw/zinc/33/14/25/545331425.db2.gz FJXARUMMFNJYJF-LLVKDONJSA-N 2 2 279.388 0.153 20 0 CCADLP CC[C@@H](C)NC(=O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000357649474 535575384 /nfs/dbraw/zinc/57/53/84/535575384.db2.gz MOXXXKXTZYCOLY-GFCCVEGCSA-N 2 2 271.405 0.290 20 0 CCADLP CC[C@@H](C)NC(=O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000357649474 535575386 /nfs/dbraw/zinc/57/53/86/535575386.db2.gz MOXXXKXTZYCOLY-GFCCVEGCSA-N 2 2 271.405 0.290 20 0 CCADLP CC[NH+]1CCN(C(=O)CNc2[nH+]cnc3[nH]ccc32)CC1 ZINC000263757254 535617847 /nfs/dbraw/zinc/61/78/47/535617847.db2.gz HLCBWWMYGWVXEK-UHFFFAOYSA-N 2 2 288.355 0.534 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000377820757 535633936 /nfs/dbraw/zinc/63/39/36/535633936.db2.gz HOSYWHHPBKITRR-LBPRGKRZSA-N 2 2 262.357 0.925 20 0 CCADLP CC(C)[NH2+][C@@H]1CCCN(C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000676702752 545349597 /nfs/dbraw/zinc/34/95/97/545349597.db2.gz VTYDWWVIOJDGFD-CABCVRRESA-N 2 2 285.432 0.142 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000677116781 545357872 /nfs/dbraw/zinc/35/78/72/545357872.db2.gz 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C[NH+](C)Cc1cnc(CN[C@H]2CC[N@H+](C)C2)s1 ZINC000796284085 581435975 /nfs/dbraw/zinc/43/59/75/581435975.db2.gz JVKLGDZDVVMQJZ-JTQLQIEISA-N 2 2 254.403 0.998 20 0 CCADLP C[NH+](C)Cc1cnc(CN[C@H]2CC[N@@H+](C)C2)s1 ZINC000796284085 581435976 /nfs/dbraw/zinc/43/59/76/581435976.db2.gz JVKLGDZDVVMQJZ-JTQLQIEISA-N 2 2 254.403 0.998 20 0 CCADLP COc1c[nH+]ccc1N1CC[NH+](CC(OC)OC)CC1 ZINC000796569392 581443981 /nfs/dbraw/zinc/44/39/81/581443981.db2.gz XPLWSCXDLYSYRO-UHFFFAOYSA-N 2 2 281.356 0.831 20 0 CCADLP CC[C@@H]1OCC[C@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000796969173 581456665 /nfs/dbraw/zinc/45/66/65/581456665.db2.gz YKRWAWAWCKKBBW-CABCVRRESA-N 2 2 297.443 0.944 20 0 CCADLP CCON(C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000753524712 581545944 /nfs/dbraw/zinc/54/59/44/581545944.db2.gz XZGPIDFXXLMVDV-GFCCVEGCSA-N 2 2 284.404 0.748 20 0 CCADLP CCON(C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000753524712 581545946 /nfs/dbraw/zinc/54/59/46/581545946.db2.gz XZGPIDFXXLMVDV-GFCCVEGCSA-N 2 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2 294.399 0.691 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000741812370 581764008 /nfs/dbraw/zinc/76/40/08/581764008.db2.gz ZEPOHDLCMSMMKA-HOTGVXAUSA-N 2 2 297.443 0.097 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@H+](CN2C(=O)CC23CCC3)C1 ZINC000743366436 581809226 /nfs/dbraw/zinc/80/92/26/581809226.db2.gz JTOXHBADNHFYIE-GFCCVEGCSA-N 2 2 251.374 0.982 20 0 CCADLP C[NH+](C)C[C@H]1CC[N@@H+](CN2C(=O)CC23CCC3)C1 ZINC000743366436 581809228 /nfs/dbraw/zinc/80/92/28/581809228.db2.gz JTOXHBADNHFYIE-GFCCVEGCSA-N 2 2 251.374 0.982 20 0 CCADLP OC[C@H]1CCCC[NH+]1CC(O)C[N@H+]1CCCC[C@@H]1CO ZINC000773728742 581939482 /nfs/dbraw/zinc/93/94/82/581939482.db2.gz FPTFUFINXOVPEL-ZIAGYGMSSA-N 2 2 286.416 0.041 20 0 CCADLP OC[C@H]1CCCC[NH+]1CC(O)C[N@@H+]1CCCC[C@@H]1CO ZINC000773728742 581939483 /nfs/dbraw/zinc/93/94/83/581939483.db2.gz FPTFUFINXOVPEL-ZIAGYGMSSA-N 2 2 286.416 0.041 20 0 CCADLP O=C(CC[NH+]1CCOCC1)NCc1ccn2cc[nH+]c2c1 ZINC000762560339 581951317 /nfs/dbraw/zinc/95/13/17/581951317.db2.gz CQTYJFMZGQAKHZ-UHFFFAOYSA-N 2 2 288.351 0.673 20 0 CCADLP Cn1c[nH+]cc1COC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000774138613 581961204 /nfs/dbraw/zinc/96/12/04/581961204.db2.gz LDFSFUUGEZHODD-SNVBAGLBSA-N 2 2 269.370 0.901 20 0 CCADLP Cn1c[nH+]cc1COC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000774138613 581961206 /nfs/dbraw/zinc/96/12/06/581961206.db2.gz LDFSFUUGEZHODD-SNVBAGLBSA-N 2 2 269.370 0.901 20 0 CCADLP COCCNC(=S)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000749006736 581993917 /nfs/dbraw/zinc/99/39/17/581993917.db2.gz WLCDXSPJPGBGFE-UHFFFAOYSA-N 2 2 288.461 0.123 20 0 CCADLP C[C@@H]1C[C@@H]([NH+](C)CCN2CCOC2=O)CC[N@@H+]1C ZINC000749115015 581997612 /nfs/dbraw/zinc/99/76/12/581997612.db2.gz GVXKOFXMHJWAQB-NEPJUHHUSA-N 2 2 255.362 0.853 20 0 CCADLP C[C@@H]1C[C@@H]([NH+](C)CCN2CCOC2=O)CC[N@H+]1C ZINC000749115015 581997614 /nfs/dbraw/zinc/99/76/14/581997614.db2.gz GVXKOFXMHJWAQB-NEPJUHHUSA-N 2 2 255.362 0.853 20 0 CCADLP C[C@@H]1C[C@@H]([N@H+](C)CCN2CCOC2=O)CC[NH+]1C ZINC000749115015 581997616 /nfs/dbraw/zinc/99/76/16/581997616.db2.gz GVXKOFXMHJWAQB-NEPJUHHUSA-N 2 2 255.362 0.853 20 0 CCADLP C[C@@H]1C[C@@H]([N@@H+](C)CCN2CCOC2=O)CC[NH+]1C ZINC000749115015 581997617 /nfs/dbraw/zinc/99/76/17/581997617.db2.gz GVXKOFXMHJWAQB-NEPJUHHUSA-N 2 2 255.362 0.853 20 0 CCADLP C[C@@H](C(=O)OCCn1cc[nH+]c1)[NH+]1CCSCC1 ZINC000774975571 582006482 /nfs/dbraw/zinc/00/64/82/582006482.db2.gz ALVPBXQKVYDXRE-NSHDSACASA-N 2 2 269.370 0.864 20 0 CCADLP C[N@H+](CCCO)C1CC[NH+](C[C@H]2CC3(CC3)C(=O)O2)CC1 ZINC000763685758 582007141 /nfs/dbraw/zinc/00/71/41/582007141.db2.gz GHNBJACFBDRIHY-CQSZACIVSA-N 2 2 296.411 0.861 20 0 CCADLP C[N@@H+](CCCO)C1CC[NH+](C[C@H]2CC3(CC3)C(=O)O2)CC1 ZINC000763685758 582007145 /nfs/dbraw/zinc/00/71/45/582007145.db2.gz GHNBJACFBDRIHY-CQSZACIVSA-N 2 2 296.411 0.861 20 0 CCADLP c1cn2c([nH+]1)CC[C@H]([NH2+]Cc1ccc(-c3nn[nH]n3)o1)C2 ZINC000823809992 599424725 /nfs/dbraw/zinc/42/47/25/599424725.db2.gz UVWHXQKOBWXSOH-VIFPVBQESA-N 2 2 285.311 0.761 20 0 CCADLP CC(C)[C@@H](C[NH+](C)C)NC(=O)Cc1c[nH+]cn1C ZINC000806923746 614094495 /nfs/dbraw/zinc/09/44/95/614094495.db2.gz BWTXZGNYEYLFTR-GFCCVEGCSA-N 2 2 252.362 0.665 20 0 CCADLP CC(C)[C@@H](O)CC[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000878286047 614145383 /nfs/dbraw/zinc/14/53/83/614145383.db2.gz JMRZEEKVIBUBBO-ZDUSSCGKSA-N 2 2 266.389 0.949 20 0 CCADLP CC(C)(O)C[C@H](O)C[NH2+]CCCNc1cccc[nH+]1 ZINC000872204431 614205465 /nfs/dbraw/zinc/20/54/65/614205465.db2.gz RBQRPKMITAQVLI-LBPRGKRZSA-N 2 2 267.373 0.995 20 0 CCADLP CS[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH+]1CCCC1 ZINC000907352830 617268859 /nfs/dbraw/zinc/26/88/59/617268859.db2.gz DTGSYAOFFGGKDP-QWHCGFSZSA-N 2 2 294.424 0.990 20 0 CCADLP COc1ccccc1[C@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000863562778 617319828 /nfs/dbraw/zinc/31/98/28/617319828.db2.gz LYVGGBOTMIBENO-UKRRQHHQSA-N 2 2 294.395 0.775 20 0 CCADLP C([C@H]1COCCO1)[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931284972 613228621 /nfs/dbraw/zinc/22/86/21/613228621.db2.gz GJWVGWVQTWYXDY-HNNXBMFYSA-N 2 2 284.400 0.589 20 0 CCADLP C([C@H]1COCCO1)[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931284972 613228623 /nfs/dbraw/zinc/22/86/23/613228623.db2.gz GJWVGWVQTWYXDY-HNNXBMFYSA-N 2 2 284.400 0.589 20 0 CCADLP C([NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000925831908 613230902 /nfs/dbraw/zinc/23/09/02/613230902.db2.gz MUCZPJABGWFBKU-QTVXIADOSA-N 2 2 282.384 0.147 20 0 CCADLP C/C(=C/C(=O)NC1C[NH+](C(C)C)C1)C[NH+]1CCOCC1 ZINC000907518670 613235465 /nfs/dbraw/zinc/23/54/65/613235465.db2.gz CCJOCEYPVKUMHT-JYRVWZFOSA-N 2 2 281.400 0.474 20 0 CCADLP C/C(=C/C(=O)N[C@H]1CCC[N@@H+](C)C1)C[NH+]1CCOCC1 ZINC000900588689 613240101 /nfs/dbraw/zinc/24/01/01/613240101.db2.gz GFISRRJBYXCCGG-ZVHGMHCTSA-N 2 2 281.400 0.475 20 0 CCADLP C/C(=C/C(=O)N[C@H]1CCC[N@H+](C)C1)C[NH+]1CCOCC1 ZINC000900588689 613240104 /nfs/dbraw/zinc/24/01/04/613240104.db2.gz GFISRRJBYXCCGG-ZVHGMHCTSA-N 2 2 281.400 0.475 20 0 CCADLP C/C(=C\C(=O)NC1C[NH+](C(C)C)C1)C[NH+]1CCOCC1 ZINC000907518671 613255169 /nfs/dbraw/zinc/25/51/69/613255169.db2.gz CCJOCEYPVKUMHT-MDWZMJQESA-N 2 2 281.400 0.474 20 0 CCADLP C/C(=C\C(=O)NC[C@@H](C)[NH+](C)C)C[NH+]1CCOCC1 ZINC000900162851 613256294 /nfs/dbraw/zinc/25/62/94/613256294.db2.gz JQCLLZUKWYHABH-CNELAYHGSA-N 2 2 269.389 0.331 20 0 CCADLP CC(=O)N(C)Cc1cn(CC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000899729850 613718387 /nfs/dbraw/zinc/71/83/87/613718387.db2.gz DAPVUZKQKGYNKZ-UHFFFAOYSA-N 2 2 296.419 0.140 20 0 CCADLP CC(=O)N(C)Cc1cn(CC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000899729850 613718388 /nfs/dbraw/zinc/71/83/88/613718388.db2.gz DAPVUZKQKGYNKZ-UHFFFAOYSA-N 2 2 296.419 0.140 20 0 CCADLP CC(C)[NH2+][C@H](C)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC000979452459 613978356 /nfs/dbraw/zinc/97/83/56/613978356.db2.gz YRBAIZYJWGLIKD-OLZOCXBDSA-N 2 2 280.372 0.497 20 0 CCADLP CC(C)OCC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931276746 614023164 /nfs/dbraw/zinc/02/31/64/614023164.db2.gz CWIGBSRHVKZSPA-MQYQWHSLSA-N 2 2 256.390 0.654 20 0 CCADLP CC(C)OCC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931276746 614023166 /nfs/dbraw/zinc/02/31/66/614023166.db2.gz CWIGBSRHVKZSPA-MQYQWHSLSA-N 2 2 256.390 0.654 20 0 CCADLP CC(C)C[C@H](O)C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000817905524 614223418 /nfs/dbraw/zinc/22/34/18/614223418.db2.gz JQCJCXZUXICZLB-IHRRRGAJSA-N 2 2 256.390 0.750 20 0 CCADLP CC(C)C[C@](C)(C[NH3+])NC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876537099 614229004 /nfs/dbraw/zinc/22/90/04/614229004.db2.gz WWPSPBZXMBRTAX-FOSCPCJNSA-N 2 2 283.416 0.755 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000825525870 614344511 /nfs/dbraw/zinc/34/45/11/614344511.db2.gz BXLCLWHAHWBAIG-NWDGAFQWSA-N 2 2 280.372 0.443 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CO)c1c[nH+]cn1C ZINC000825525870 614344513 /nfs/dbraw/zinc/34/45/13/614344513.db2.gz BXLCLWHAHWBAIG-NWDGAFQWSA-N 2 2 280.372 0.443 20 0 CCADLP CCC[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972426263 614544637 /nfs/dbraw/zinc/54/46/37/614544637.db2.gz LUQLHSLTNPSMCY-LBPRGKRZSA-N 2 2 250.346 0.895 20 0 CCADLP CCC[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000972426263 614544642 /nfs/dbraw/zinc/54/46/42/614544642.db2.gz LUQLHSLTNPSMCY-LBPRGKRZSA-N 2 2 250.346 0.895 20 0 CCADLP CCC(CC)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000870965655 614576872 /nfs/dbraw/zinc/57/68/72/614576872.db2.gz MLZWKRDGDXJENT-CFVMTHIKSA-N 2 2 297.443 0.977 20 0 CCADLP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000906177396 614653906 /nfs/dbraw/zinc/65/39/06/614653906.db2.gz RZGIRQTVXNTSHH-HUUCEWRRSA-N 2 2 297.443 0.945 20 0 CCADLP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](C)C[NH+]2CCOCC2)C1 ZINC000906177396 614653909 /nfs/dbraw/zinc/65/39/09/614653909.db2.gz RZGIRQTVXNTSHH-HUUCEWRRSA-N 2 2 297.443 0.945 20 0 CCADLP CC1(C)C[NH2+]C[C@H]1C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000884206497 614655789 /nfs/dbraw/zinc/65/57/89/614655789.db2.gz WTWCEDMGCBXOCL-LBPRGKRZSA-N 2 2 283.416 0.459 20 0 CCADLP CC1(C)C[NH2+]C[C@H]1C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000884206497 614655790 /nfs/dbraw/zinc/65/57/90/614655790.db2.gz WTWCEDMGCBXOCL-LBPRGKRZSA-N 2 2 283.416 0.459 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913445113 614660289 /nfs/dbraw/zinc/66/02/89/614660289.db2.gz LGKUYUUPYYQXOY-ZIAGYGMSSA-N 2 2 291.399 0.757 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913445113 614660291 /nfs/dbraw/zinc/66/02/91/614660291.db2.gz LGKUYUUPYYQXOY-ZIAGYGMSSA-N 2 2 291.399 0.757 20 0 CCADLP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@@H]2C[NH+](C)CCO2)C1 ZINC000913506871 614666369 /nfs/dbraw/zinc/66/63/69/614666369.db2.gz IGYNNAJTXHZPDO-GJZGRUSLSA-N 2 2 297.443 0.897 20 0 CCADLP CCC[N@H+]1CCC[C@H](C(=O)N(C)C[C@@H]2C[NH+](C)CCO2)C1 ZINC000913506871 614666370 /nfs/dbraw/zinc/66/63/70/614666370.db2.gz IGYNNAJTXHZPDO-GJZGRUSLSA-N 2 2 297.443 0.897 20 0 CCADLP CCC[NH+]1CCC[C@H](C(=O)N(C)C[C@@H]2C[N@H+](C)CCO2)C1 ZINC000913506871 614666374 /nfs/dbraw/zinc/66/63/74/614666374.db2.gz IGYNNAJTXHZPDO-GJZGRUSLSA-N 2 2 297.443 0.897 20 0 CCADLP CCC[NH+]1CCC[C@H](C(=O)N(C)C[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000913506871 614666377 /nfs/dbraw/zinc/66/63/77/614666377.db2.gz IGYNNAJTXHZPDO-GJZGRUSLSA-N 2 2 297.443 0.897 20 0 CCADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H]1COC2(CCOCC2)O1 ZINC000925631460 614807482 /nfs/dbraw/zinc/80/74/82/614807482.db2.gz ZIYFAGNLOXAFEQ-NEPJUHHUSA-N 2 2 270.373 0.639 20 0 CCADLP CC1(C)OC[C@H](C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)O1 ZINC000895572325 614838334 /nfs/dbraw/zinc/83/83/34/614838334.db2.gz SNZKIFUIXYLZQK-RYUDHWBXSA-N 2 2 285.388 0.067 20 0 CCADLP CC1(C)OC[C@H](C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)O1 ZINC000895572325 614838336 /nfs/dbraw/zinc/83/83/36/614838336.db2.gz SNZKIFUIXYLZQK-RYUDHWBXSA-N 2 2 285.388 0.067 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(=O)OC)C[C@@H]1C ZINC000933169079 614867356 /nfs/dbraw/zinc/86/73/56/614867356.db2.gz AOYSNCUVZVKPTC-AVGNSLFASA-N 2 2 272.389 0.573 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](C(=O)OC)C[C@@H]1C ZINC000933169079 614867357 /nfs/dbraw/zinc/86/73/57/614867357.db2.gz AOYSNCUVZVKPTC-AVGNSLFASA-N 2 2 272.389 0.573 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](C(=O)OC)C[C@@H]1C ZINC000933169079 614867360 /nfs/dbraw/zinc/86/73/60/614867360.db2.gz AOYSNCUVZVKPTC-AVGNSLFASA-N 2 2 272.389 0.573 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](C(=O)OC)C[C@@H]1C ZINC000933169079 614867363 /nfs/dbraw/zinc/86/73/63/614867363.db2.gz AOYSNCUVZVKPTC-AVGNSLFASA-N 2 2 272.389 0.573 20 0 CCADLP CC[N@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000980270649 614890526 /nfs/dbraw/zinc/89/05/26/614890526.db2.gz QVSHQXJBRLFVHF-LLVKDONJSA-N 2 2 250.346 0.813 20 0 CCADLP CC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC000980270649 614890528 /nfs/dbraw/zinc/89/05/28/614890528.db2.gz QVSHQXJBRLFVHF-LLVKDONJSA-N 2 2 250.346 0.813 20 0 CCADLP CC[NH+](CC)CCN1C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C1=O ZINC000925271449 614994281 /nfs/dbraw/zinc/99/42/81/614994281.db2.gz IGCODZMQMCQQMA-NSHDSACASA-N 2 2 279.344 0.214 20 0 CCADLP CC[NH+](CC)CCN1C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C1=O ZINC000925271449 614994284 /nfs/dbraw/zinc/99/42/84/614994284.db2.gz IGCODZMQMCQQMA-NSHDSACASA-N 2 2 279.344 0.214 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC1CC(C[NH2+]CC)C1 ZINC000962127386 615003985 /nfs/dbraw/zinc/00/39/85/615003985.db2.gz WEZQOUKZLNZEEQ-NRXISQOPSA-N 2 2 297.443 0.992 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NC1CC(C[NH2+]CC)C1 ZINC000962127386 615003989 /nfs/dbraw/zinc/00/39/89/615003989.db2.gz WEZQOUKZLNZEEQ-NRXISQOPSA-N 2 2 297.443 0.992 20 0 CCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000834466069 615014192 /nfs/dbraw/zinc/01/41/92/615014192.db2.gz CPRXJSCOHYANBN-SNVBAGLBSA-N 2 2 277.372 0.270 20 0 CCADLP CC[N@H+](Cc1nc(N2CC[NH2+]CC2)no1)C1CC1 ZINC000823329792 615069490 /nfs/dbraw/zinc/06/94/90/615069490.db2.gz FMGOEQLTYNYAIU-UHFFFAOYSA-N 2 2 251.334 0.464 20 0 CCADLP CC[N@@H+](Cc1nc(N2CC[NH2+]CC2)no1)C1CC1 ZINC000823329792 615069491 /nfs/dbraw/zinc/06/94/91/615069491.db2.gz FMGOEQLTYNYAIU-UHFFFAOYSA-N 2 2 251.334 0.464 20 0 CCADLP CC[NH2+]CC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000844167706 615078590 /nfs/dbraw/zinc/07/85/90/615078590.db2.gz FCGXDYITMBRKRC-LBPRGKRZSA-N 2 2 257.378 0.069 20 0 CCADLP CC[NH2+]C[C@@H]1C[C@@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000980743041 615091729 /nfs/dbraw/zinc/09/17/29/615091729.db2.gz GEQRXGDQELSTBN-MNOVXSKESA-N 2 2 250.346 0.799 20 0 CCADLP CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000984077649 615094275 /nfs/dbraw/zinc/09/42/75/615094275.db2.gz GZPHWAYKXKKCOP-AVGNSLFASA-N 2 2 276.384 0.950 20 0 CCADLP CC[NH+]1CCC2(CC1)CN(C(=O)Cc1c[nH+]c[nH]1)CCO2 ZINC000949202671 615102173 /nfs/dbraw/zinc/10/21/73/615102173.db2.gz RQCKMIMQJYWRIB-UHFFFAOYSA-N 2 2 292.383 0.666 20 0 CCADLP CC[NH2+]Cc1cn(Cc2cc[nH+]c(N(C)C)c2)nn1 ZINC000881365899 615102860 /nfs/dbraw/zinc/10/28/60/615102860.db2.gz MZPZGMWWXCHIGT-UHFFFAOYSA-N 2 2 260.345 0.897 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCCO)CC1 ZINC000957782903 615113840 /nfs/dbraw/zinc/11/38/40/615113840.db2.gz YKENQVQARLBKJO-AWEZNQCLSA-N 2 2 283.416 0.387 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CCCO)CC1 ZINC000957782903 615113841 /nfs/dbraw/zinc/11/38/41/615113841.db2.gz YKENQVQARLBKJO-AWEZNQCLSA-N 2 2 283.416 0.387 20 0 CCADLP CC[N@@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000910265427 615118159 /nfs/dbraw/zinc/11/81/59/615118159.db2.gz DQGZYNCNDJOUOL-NSHDSACASA-N 2 2 250.346 0.895 20 0 CCADLP CC[N@H+]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H](C)C1 ZINC000910265427 615118161 /nfs/dbraw/zinc/11/81/61/615118161.db2.gz DQGZYNCNDJOUOL-NSHDSACASA-N 2 2 250.346 0.895 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000969135493 615120197 /nfs/dbraw/zinc/12/01/97/615120197.db2.gz LMOFLDGOYUWGLZ-NWDGAFQWSA-N 2 2 262.357 0.656 20 0 CCADLP CCNc1ccccc1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000902119791 615139817 /nfs/dbraw/zinc/13/98/17/615139817.db2.gz CGXRQWZFMVEEHH-UHFFFAOYSA-N 2 2 290.411 0.982 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@@H]3C[C@@H]3C2)CC1 ZINC000886328140 615150826 /nfs/dbraw/zinc/15/08/26/615150826.db2.gz ACPYTDSHXOJZNC-UPJWGTAASA-N 2 2 251.374 0.491 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2C[C@@H]3C[C@@H]3C2)CC1 ZINC000886328140 615150827 /nfs/dbraw/zinc/15/08/27/615150827.db2.gz ACPYTDSHXOJZNC-UPJWGTAASA-N 2 2 251.374 0.491 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CCCCCC[NH3+])CC1 ZINC000872155065 615152209 /nfs/dbraw/zinc/15/22/09/615152209.db2.gz BHTHBFKCVOOKFJ-HNNXBMFYSA-N 3 2 298.475 0.990 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CCCCCC[NH3+])CC1 ZINC000872155065 615152210 /nfs/dbraw/zinc/15/22/10/615152210.db2.gz BHTHBFKCVOOKFJ-HNNXBMFYSA-N 3 2 298.475 0.990 20 0 CCADLP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000925548222 615158008 /nfs/dbraw/zinc/15/80/08/615158008.db2.gz ZPIFKGAWJXEBKP-HUUCEWRRSA-N 3 2 268.449 0.744 20 0 CCADLP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2c[nH]cn2)CC1 ZINC000894237269 615159594 /nfs/dbraw/zinc/15/95/94/615159594.db2.gz IGCNKBBDYGWQKC-ZDUSSCGKSA-N 2 2 265.405 0.773 20 0 CCADLP CCOC(=O)N1CC[C@@H]([NH2+][C@H]2CC[NH2+]C2(C)C)C1 ZINC000925644207 615232433 /nfs/dbraw/zinc/23/24/33/615232433.db2.gz ZEYHKDFMEDWNNG-MNOVXSKESA-N 2 2 255.362 0.947 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)NCCNc1cccc[nH+]1 ZINC000883075088 615249397 /nfs/dbraw/zinc/24/93/97/615249397.db2.gz REYZLTWABQCKKP-GFCCVEGCSA-N 2 2 277.372 0.887 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)NCCNc1cccc[nH+]1 ZINC000883075088 615249399 /nfs/dbraw/zinc/24/93/99/615249399.db2.gz REYZLTWABQCKKP-GFCCVEGCSA-N 2 2 277.372 0.887 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000943767527 615281712 /nfs/dbraw/zinc/28/17/12/615281712.db2.gz XCCZYCGKUFDFBF-MNOVXSKESA-N 2 2 250.346 0.799 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000943767527 615281714 /nfs/dbraw/zinc/28/17/14/615281714.db2.gz XCCZYCGKUFDFBF-MNOVXSKESA-N 2 2 250.346 0.799 20 0 CCADLP CCOCC[C@H](O)C[N@@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000923411561 615300719 /nfs/dbraw/zinc/30/07/19/615300719.db2.gz NFCLMDGMMQOJBO-AVGNSLFASA-N 2 2 260.378 0.212 20 0 CCADLP CCOCC[C@H](O)C[N@H+]1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000923411561 615300722 /nfs/dbraw/zinc/30/07/22/615300722.db2.gz NFCLMDGMMQOJBO-AVGNSLFASA-N 2 2 260.378 0.212 20 0 CCADLP CCOC[C@@H](O)C[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931288807 615306761 /nfs/dbraw/zinc/30/67/61/615306761.db2.gz UKVZAYHWPUSOSJ-HNNXBMFYSA-N 2 2 286.416 0.571 20 0 CCADLP CCOC[C@@H](O)C[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931288807 615306764 /nfs/dbraw/zinc/30/67/64/615306764.db2.gz UKVZAYHWPUSOSJ-HNNXBMFYSA-N 2 2 286.416 0.571 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]1C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000930068967 615321590 /nfs/dbraw/zinc/32/15/90/615321590.db2.gz WFCVGJCGKGYKLW-QWHCGFSZSA-N 2 2 292.383 0.741 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NC[C@H]1CCCCC[NH2+]1 ZINC000902481394 615326412 /nfs/dbraw/zinc/32/64/12/615326412.db2.gz CIMFEABSILCPMT-FRRDWIJNSA-N 2 2 269.389 0.402 20 0 CCADLP CC[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000977449304 615353310 /nfs/dbraw/zinc/35/33/10/615353310.db2.gz BPVMRABHKXTGOW-GFCCVEGCSA-N 2 2 264.373 0.809 20 0 CCADLP CC[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC000977449304 615353313 /nfs/dbraw/zinc/35/33/13/615353313.db2.gz BPVMRABHKXTGOW-GFCCVEGCSA-N 2 2 264.373 0.809 20 0 CCADLP CC[C@@H](C(=O)N[C@H]1CCC[NH2+]C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000911674768 615385769 /nfs/dbraw/zinc/38/57/69/615385769.db2.gz WACOCNQMLGIWMO-MJBXVCDLSA-N 2 2 283.416 0.744 20 0 CCADLP CC[C@@H](C(=O)N[C@H]1CCC[NH2+]C1)[N@H+]1CCO[C@H](CC)C1 ZINC000911674768 615385770 /nfs/dbraw/zinc/38/57/70/615385770.db2.gz WACOCNQMLGIWMO-MJBXVCDLSA-N 2 2 283.416 0.744 20 0 CCADLP CCO[C@@H](C[NH2+]C[C@H](O)C1(O)CCCC1)C[NH+](C)C ZINC000905579763 615410113 /nfs/dbraw/zinc/41/01/13/615410113.db2.gz KYHUPUDSZMMFJO-STQMWFEESA-N 2 2 274.405 0.209 20 0 CCADLP CCN1C[C@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1=O ZINC000925684086 615421575 /nfs/dbraw/zinc/42/15/75/615421575.db2.gz ZNBCQEJTSHJMNO-VXGBXAGGSA-N 2 2 251.374 0.872 20 0 CCADLP CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC000978369205 615432828 /nfs/dbraw/zinc/43/28/28/615432828.db2.gz IEURALYPZQIBHA-CYUUQNCZSA-N 2 2 288.395 0.759 20 0 CCADLP CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC000978369205 615432829 /nfs/dbraw/zinc/43/28/29/615432829.db2.gz IEURALYPZQIBHA-CYUUQNCZSA-N 2 2 288.395 0.759 20 0 CCADLP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000962202337 615441245 /nfs/dbraw/zinc/44/12/45/615441245.db2.gz XMHKNPBWAVARMW-NHAGDIPZSA-N 2 2 297.362 0.947 20 0 CCADLP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000962202337 615441247 /nfs/dbraw/zinc/44/12/47/615441247.db2.gz XMHKNPBWAVARMW-NHAGDIPZSA-N 2 2 297.362 0.947 20 0 CCADLP CC[N@H+]1[C@H](C)CN(C(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)C[C@@H]1C ZINC000864084450 615450051 /nfs/dbraw/zinc/45/00/51/615450051.db2.gz SHZIOEVKILIYGZ-QVHKTLOISA-N 2 2 283.416 0.383 20 0 CCADLP CC[N@@H+]1[C@H](C)CN(C(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)C[C@@H]1C ZINC000864084450 615450052 /nfs/dbraw/zinc/45/00/52/615450052.db2.gz SHZIOEVKILIYGZ-QVHKTLOISA-N 2 2 283.416 0.383 20 0 CCADLP CC[NH+]1[C@H](C)CN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)C[C@@H]1C ZINC000864084450 615450053 /nfs/dbraw/zinc/45/00/53/615450053.db2.gz SHZIOEVKILIYGZ-QVHKTLOISA-N 2 2 283.416 0.383 20 0 CCADLP CC[NH+]1[C@H](C)CN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)C[C@@H]1C ZINC000864084450 615450055 /nfs/dbraw/zinc/45/00/55/615450055.db2.gz SHZIOEVKILIYGZ-QVHKTLOISA-N 2 2 283.416 0.383 20 0 CCADLP CC[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905122048 615474226 /nfs/dbraw/zinc/47/42/26/615474226.db2.gz JUDXAFDFYJFDHH-QWHCGFSZSA-N 2 2 256.390 0.726 20 0 CCADLP CCS(=O)(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000219262178 615537065 /nfs/dbraw/zinc/53/70/65/615537065.db2.gz SSPNKMJFDSPEHY-YOGCLGLASA-N 2 2 260.403 0.636 20 0 CCADLP CCS(=O)(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000219262178 615537066 /nfs/dbraw/zinc/53/70/66/615537066.db2.gz SSPNKMJFDSPEHY-YOGCLGLASA-N 2 2 260.403 0.636 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000877434370 615566881 /nfs/dbraw/zinc/56/68/81/615566881.db2.gz QLKGKGGXRSDXDP-CYBMUJFWSA-N 2 2 295.427 0.875 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000877434370 615566882 /nfs/dbraw/zinc/56/68/82/615566882.db2.gz QLKGKGGXRSDXDP-CYBMUJFWSA-N 2 2 295.427 0.875 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000874710519 615568514 /nfs/dbraw/zinc/56/85/14/615568514.db2.gz JVVWYWBGQSUTDC-MGPQQGTHSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000874710519 615568515 /nfs/dbraw/zinc/56/85/15/615568515.db2.gz JVVWYWBGQSUTDC-MGPQQGTHSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000874710519 615568516 /nfs/dbraw/zinc/56/85/16/615568516.db2.gz JVVWYWBGQSUTDC-MGPQQGTHSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@@H]1COCC[NH+]1CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000874710519 615568517 /nfs/dbraw/zinc/56/85/17/615568517.db2.gz JVVWYWBGQSUTDC-MGPQQGTHSA-N 2 2 283.416 0.554 20 0 CCADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000877433678 615568755 /nfs/dbraw/zinc/56/87/55/615568755.db2.gz HGIYSYFDKXGXMD-NFAWXSAZSA-N 2 2 281.400 0.213 20 0 CCADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000877433678 615568756 /nfs/dbraw/zinc/56/87/56/615568756.db2.gz HGIYSYFDKXGXMD-NFAWXSAZSA-N 2 2 281.400 0.213 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@@H]1CC ZINC000877435254 615691049 /nfs/dbraw/zinc/69/10/49/615691049.db2.gz ZOQZBLHHKINFKW-AVGNSLFASA-N 2 2 271.405 0.587 20 0 CCADLP CC[C@H](C)[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@@H]1CC ZINC000877435254 615691050 /nfs/dbraw/zinc/69/10/50/615691050.db2.gz ZOQZBLHHKINFKW-AVGNSLFASA-N 2 2 271.405 0.587 20 0 CCADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC000905123785 615711293 /nfs/dbraw/zinc/71/12/93/615711293.db2.gz ZUKMNGXETFKYOH-QLFBSQMISA-N 2 2 286.416 0.353 20 0 CCADLP C[NH+](C)C1(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000928078272 615844414 /nfs/dbraw/zinc/84/44/14/615844414.db2.gz DTZRAIFDJASXCU-RYUDHWBXSA-N 2 2 283.441 0.777 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H]2CC3(CCC3)CO2)CC1 ZINC000877958626 615863623 /nfs/dbraw/zinc/86/36/23/615863623.db2.gz OHWBYWMOFGFOIZ-CQSZACIVSA-N 2 2 295.427 0.651 20 0 CCADLP C[NH+](C)CC1(C(=O)N2CC[N@H+](C)C[C@H]2CO)CCCCC1 ZINC000912740433 615869596 /nfs/dbraw/zinc/86/95/96/615869596.db2.gz XGWYDMDHKOSOEJ-AWEZNQCLSA-N 2 2 297.443 0.633 20 0 CCADLP C[NH+](C)CC1(C(=O)N2CC[N@@H+](C)C[C@H]2CO)CCCCC1 ZINC000912740433 615869598 /nfs/dbraw/zinc/86/95/98/615869598.db2.gz XGWYDMDHKOSOEJ-AWEZNQCLSA-N 2 2 297.443 0.633 20 0 CCADLP C[NH+](C)CC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000900687538 615874049 /nfs/dbraw/zinc/87/40/49/615874049.db2.gz VNTAKRKKPNTLIU-UHFFFAOYSA-N 2 2 250.346 0.752 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1SCCS1 ZINC000855415391 615878755 /nfs/dbraw/zinc/87/87/55/615878755.db2.gz XFGLEXIEPSXIBC-UHFFFAOYSA-N 2 2 291.486 0.792 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1SCCS1 ZINC000855415391 615878758 /nfs/dbraw/zinc/87/87/58/615878758.db2.gz XFGLEXIEPSXIBC-UHFFFAOYSA-N 2 2 291.486 0.792 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC000855414929 615878674 /nfs/dbraw/zinc/87/86/74/615878674.db2.gz NDXZKADBXWSIQZ-UHFFFAOYSA-N 3 2 284.448 0.470 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC000855414929 615878675 /nfs/dbraw/zinc/87/86/75/615878675.db2.gz NDXZKADBXWSIQZ-UHFFFAOYSA-N 3 2 284.448 0.470 20 0 CCADLP Cn1cc(/C=C\C(=O)NCC[N@H+](C)CCC[NH+](C)C)cn1 ZINC000855415945 615878813 /nfs/dbraw/zinc/87/88/13/615878813.db2.gz CKHFBKXYIOYYGM-SREVYHEPSA-N 2 2 293.415 0.433 20 0 CCADLP Cn1cc(/C=C\C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cn1 ZINC000855415945 615878817 /nfs/dbraw/zinc/87/88/17/615878817.db2.gz CKHFBKXYIOYYGM-SREVYHEPSA-N 2 2 293.415 0.433 20 0 CCADLP C[NH+](C)CCC[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC000912733701 615888021 /nfs/dbraw/zinc/88/80/21/615888021.db2.gz XACQHRMYVFUWBG-ZDUSSCGKSA-N 2 2 280.372 0.521 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nn1cnc2ccccc21 ZINC000846666213 615913407 /nfs/dbraw/zinc/91/34/07/615913407.db2.gz DZRAFHYSPDHJGN-JTQLQIEISA-N 2 2 261.329 0.385 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccnc(-c3nn[nH]n3)c2)C1 ZINC000825859543 615927748 /nfs/dbraw/zinc/92/77/48/615927748.db2.gz GOJONICOIDPCKQ-LBPRGKRZSA-N 2 2 287.371 0.645 20 0 CCADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccnc(-c3nn[nH]n3)c2)C1 ZINC000825859543 615927750 /nfs/dbraw/zinc/92/77/50/615927750.db2.gz GOJONICOIDPCKQ-LBPRGKRZSA-N 2 2 287.371 0.645 20 0 CCADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cnn(CCF)c1 ZINC000921930979 615936026 /nfs/dbraw/zinc/93/60/26/615936026.db2.gz WZTRTSSBFYTBHZ-LBPRGKRZSA-N 2 2 258.341 0.255 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)/C=C\C[NH+]2CCOCC2)C1 ZINC000866363182 615976592 /nfs/dbraw/zinc/97/65/92/615976592.db2.gz KEZVZJGVFNAGEN-DGPIVGRDSA-N 2 2 295.427 0.864 20 0 CCADLP C[NH+](C)[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1)C1CC1 ZINC000968912203 615987912 /nfs/dbraw/zinc/98/79/12/615987912.db2.gz CDWDGWAROWFWGK-YPMHNXCESA-N 2 2 293.371 0.100 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H](O)C3(O)CCCC3)C[C@H]21 ZINC000931277643 615997787 /nfs/dbraw/zinc/99/77/87/615997787.db2.gz PUOGPQOCGXJWSC-QNWHQSFQSA-N 2 2 254.374 0.144 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H](O)C3(O)CCCC3)C[C@H]21 ZINC000931277643 615997789 /nfs/dbraw/zinc/99/77/89/615997789.db2.gz PUOGPQOCGXJWSC-QNWHQSFQSA-N 2 2 254.374 0.144 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H]3CC4(CCC4)C(=O)O3)C[C@H]21 ZINC000931278590 615998196 /nfs/dbraw/zinc/99/81/96/615998196.db2.gz GXNCKGGOJYYLEQ-NDBYEHHHSA-N 2 2 264.369 0.964 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H]3CC4(CCC4)C(=O)O3)C[C@H]21 ZINC000931278590 615998199 /nfs/dbraw/zinc/99/81/99/615998199.db2.gz GXNCKGGOJYYLEQ-NDBYEHHHSA-N 2 2 264.369 0.964 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2CN(CCC[N@@H+]3C[C@H]4[C@@H](C3)[C@@H]4[NH+](C)C)C[C@H]21 ZINC000931279071 615998252 /nfs/dbraw/zinc/99/82/52/615998252.db2.gz XILGEBSBPVVFIZ-QIYORIJCSA-N 3 2 292.471 0.360 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2CN(CCC[N@H+]3C[C@H]4[C@@H](C3)[C@@H]4[NH+](C)C)C[C@H]21 ZINC000931279071 615998254 /nfs/dbraw/zinc/99/82/54/615998254.db2.gz XILGEBSBPVVFIZ-QIYORIJCSA-N 3 2 292.471 0.360 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H](O)COC[C@H]3CCCO3)C[C@H]21 ZINC000931283343 615998332 /nfs/dbraw/zinc/99/83/32/615998332.db2.gz UOKVTFHISJQDOY-XPABHHOTSA-N 2 2 284.400 0.035 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H](O)COC[C@H]3CCCO3)C[C@H]21 ZINC000931283343 615998333 /nfs/dbraw/zinc/99/83/33/615998333.db2.gz UOKVTFHISJQDOY-XPABHHOTSA-N 2 2 284.400 0.035 20 0 CCADLP C[NH+](C)[C@]1(C[NH2+]C[C@H](O)C2(O)CCCC2)CCSC1 ZINC000905147564 615999497 /nfs/dbraw/zinc/99/94/97/615999497.db2.gz KTBUUBUJAOJAPR-STQMWFEESA-N 2 2 288.457 0.679 20 0 CCADLP CN(C)C(=O)[C@@H]1CC[C@@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)O1 ZINC000925629654 616000850 /nfs/dbraw/zinc/00/08/50/616000850.db2.gz LXJSAIBBZAHQPJ-IHRRRGAJSA-N 2 2 295.427 0.887 20 0 CCADLP CN(C)c1cc(Cn2cc(CC[C@@H](O)C[NH3+])nn2)cc[nH+]1 ZINC000881365637 616006244 /nfs/dbraw/zinc/00/62/44/616006244.db2.gz HTIBFUUBMJCMAK-CYBMUJFWSA-N 2 2 290.371 0.040 20 0 CCADLP CN(C)c1cc(N2CCC([N@H+](C)CCCO)CC2)nc[nH+]1 ZINC000892553876 616007079 /nfs/dbraw/zinc/00/70/79/616007079.db2.gz UHQKJUHTBREFKL-UHFFFAOYSA-N 2 2 293.415 0.826 20 0 CCADLP CN(C)c1cc(N2CCC([N@@H+](C)CCCO)CC2)nc[nH+]1 ZINC000892553876 616007081 /nfs/dbraw/zinc/00/70/81/616007081.db2.gz UHQKJUHTBREFKL-UHFFFAOYSA-N 2 2 293.415 0.826 20 0 CCADLP CN(C)c1cc(N2CCC([N@H+](C)CCCO)CC2)[nH+]cn1 ZINC000892553876 616007083 /nfs/dbraw/zinc/00/70/83/616007083.db2.gz UHQKJUHTBREFKL-UHFFFAOYSA-N 2 2 293.415 0.826 20 0 CCADLP CN(C)c1cc(N2CCC([N@@H+](C)CCCO)CC2)[nH+]cn1 ZINC000892553876 616007085 /nfs/dbraw/zinc/00/70/85/616007085.db2.gz UHQKJUHTBREFKL-UHFFFAOYSA-N 2 2 293.415 0.826 20 0 CCADLP C[N@@H+](CC(=O)N1CCOCC1)C[C@H]1CCCC[NH2+]C1 ZINC000903722881 616044590 /nfs/dbraw/zinc/04/45/90/616044590.db2.gz FBJKOKDVXCHHJS-ZDUSSCGKSA-N 2 2 269.389 0.167 20 0 CCADLP C[N@H+](CC(=O)N1CCOCC1)C[C@H]1CCCC[NH2+]C1 ZINC000903722881 616044591 /nfs/dbraw/zinc/04/45/91/616044591.db2.gz FBJKOKDVXCHHJS-ZDUSSCGKSA-N 2 2 269.389 0.167 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)C[C@H]([NH3+])C1CC1 ZINC000831406112 616076333 /nfs/dbraw/zinc/07/63/33/616076333.db2.gz IVQZMYHAFMLEOR-LBPRGKRZSA-N 2 2 250.346 0.859 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925410564 616076372 /nfs/dbraw/zinc/07/63/72/616076372.db2.gz SSNHDYIUGABPBQ-LBPRGKRZSA-N 2 2 265.361 0.619 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000925410564 616076373 /nfs/dbraw/zinc/07/63/73/616076373.db2.gz SSNHDYIUGABPBQ-LBPRGKRZSA-N 2 2 265.361 0.619 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@@H]([N@H+](C)CCF)C1 ZINC000980296343 616077529 /nfs/dbraw/zinc/07/75/29/616077529.db2.gz QTUDRQMKUGVXLL-CYBMUJFWSA-N 2 2 282.363 0.855 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@@H]([N@@H+](C)CCF)C1 ZINC000980296343 616077530 /nfs/dbraw/zinc/07/75/30/616077530.db2.gz QTUDRQMKUGVXLL-CYBMUJFWSA-N 2 2 282.363 0.855 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892445773 616089429 /nfs/dbraw/zinc/08/94/29/616089429.db2.gz BVFXVYWCGDZDAM-HDJSIYSDSA-N 2 2 298.431 0.478 20 0 CCADLP CN(CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)CCOCCO ZINC000926858717 616096769 /nfs/dbraw/zinc/09/67/69/616096769.db2.gz PFYJWUYZWHNIOS-HZPDHXFCSA-N 2 2 299.459 0.534 20 0 CCADLP CN(CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)CCOCCO ZINC000926858717 616096770 /nfs/dbraw/zinc/09/67/70/616096770.db2.gz PFYJWUYZWHNIOS-HZPDHXFCSA-N 2 2 299.459 0.534 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]C[C@@H](O)c1ccccn1)C1CC1 ZINC000843096766 616149648 /nfs/dbraw/zinc/14/96/48/616149648.db2.gz UVTDPYMKBUMNMY-TZMCWYRMSA-N 2 2 265.357 0.160 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H](O)c1ccccn1)C1CC1 ZINC000843096766 616149649 /nfs/dbraw/zinc/14/96/49/616149649.db2.gz UVTDPYMKBUMNMY-TZMCWYRMSA-N 2 2 265.357 0.160 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]C[C@H](O)c1ccccc1F)C1CC1 ZINC000843065966 616149743 /nfs/dbraw/zinc/14/97/43/616149743.db2.gz OAWCPZZNAXOHPI-DOMZBBRYSA-N 2 2 282.359 0.904 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@H](O)c1ccccc1F)C1CC1 ZINC000843065966 616149744 /nfs/dbraw/zinc/14/97/44/616149744.db2.gz OAWCPZZNAXOHPI-DOMZBBRYSA-N 2 2 282.359 0.904 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]C[C@H](O)Cc1ccccc1F)C1CC1 ZINC000905475553 616150038 /nfs/dbraw/zinc/15/00/38/616150038.db2.gz VEDABJSCZBJQEE-HUUCEWRRSA-N 2 2 296.386 0.774 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]C[C@H](O)Cc1ccccc1F)C1CC1 ZINC000905475553 616150039 /nfs/dbraw/zinc/15/00/39/616150039.db2.gz VEDABJSCZBJQEE-HUUCEWRRSA-N 2 2 296.386 0.774 20 0 CCADLP C[N@H+](C[C@H](O)CO)C1CC[NH+](CCc2ccccn2)CC1 ZINC000929799687 616150436 /nfs/dbraw/zinc/15/04/36/616150436.db2.gz ZCIAIZOUGSLBTH-INIZCTEOSA-N 2 2 293.411 0.374 20 0 CCADLP C[N@@H+](C[C@H](O)CO)C1CC[NH+](CCc2ccccn2)CC1 ZINC000929799687 616150437 /nfs/dbraw/zinc/15/04/37/616150437.db2.gz ZCIAIZOUGSLBTH-INIZCTEOSA-N 2 2 293.411 0.374 20 0 CCADLP C[N@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000843358733 616160785 /nfs/dbraw/zinc/16/07/85/616160785.db2.gz XERXRHVVOIFZMN-VHSXEESVSA-N 2 2 279.306 0.691 20 0 CCADLP C[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000843358733 616160787 /nfs/dbraw/zinc/16/07/87/616160787.db2.gz XERXRHVVOIFZMN-VHSXEESVSA-N 2 2 279.306 0.691 20 0 CCADLP C[NH+]1CCC([N@H+](CCO)C[C@H]2COC(C)(C)O2)CC1 ZINC000891402689 616171777 /nfs/dbraw/zinc/17/17/77/616171777.db2.gz VJAUKKXHOFEWJQ-ZDUSSCGKSA-N 2 2 272.389 0.526 20 0 CCADLP C[NH+]1CCC([N@@H+](CCO)C[C@H]2COC(C)(C)O2)CC1 ZINC000891402689 616171778 /nfs/dbraw/zinc/17/17/78/616171778.db2.gz VJAUKKXHOFEWJQ-ZDUSSCGKSA-N 2 2 272.389 0.526 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](N3C(=O)N[C@H](CF)C3=O)C2)CC1 ZINC000806672079 616172027 /nfs/dbraw/zinc/17/20/27/616172027.db2.gz NGQHYOAXMMECQW-VXGBXAGGSA-N 2 2 298.362 0.045 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](N3C(=O)N[C@H](CF)C3=O)C2)CC1 ZINC000806672079 616172029 /nfs/dbraw/zinc/17/20/29/616172029.db2.gz NGQHYOAXMMECQW-VXGBXAGGSA-N 2 2 298.362 0.045 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC000967925452 616192253 /nfs/dbraw/zinc/19/22/53/616192253.db2.gz PVKHAAJTUPOWSE-ZYHUDNBSSA-N 2 2 295.412 0.323 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC000967925452 616192254 /nfs/dbraw/zinc/19/22/54/616192254.db2.gz PVKHAAJTUPOWSE-ZYHUDNBSSA-N 2 2 295.412 0.323 20 0 CCADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865894907 616204544 /nfs/dbraw/zinc/20/45/44/616204544.db2.gz QLBMAWUEFDFUCV-JQWIXIFHSA-N 2 2 266.345 0.243 20 0 CCADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865894907 616204545 /nfs/dbraw/zinc/20/45/45/616204545.db2.gz QLBMAWUEFDFUCV-JQWIXIFHSA-N 2 2 266.345 0.243 20 0 CCADLP C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC000901103114 616215259 /nfs/dbraw/zinc/21/52/59/616215259.db2.gz BBUFVLNXWRYIQZ-WCQYABFASA-N 2 2 262.357 0.895 20 0 CCADLP C[N@H+]1CCC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC000901103114 616215260 /nfs/dbraw/zinc/21/52/60/616215260.db2.gz BBUFVLNXWRYIQZ-WCQYABFASA-N 2 2 262.357 0.895 20 0 CCADLP C[NH+]1CCN(CCC[NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925516725 616241447 /nfs/dbraw/zinc/24/14/47/616241447.db2.gz FEAVUEWLHMTLOA-AWEZNQCLSA-N 3 2 266.433 0.498 20 0 CCADLP CN(C[C@H]1C[N@H+](C)CCO1)C(=O)NCC1([NH+](C)C)CC1 ZINC000922982474 616253825 /nfs/dbraw/zinc/25/38/25/616253825.db2.gz QGPITXUYSYXZOX-GFCCVEGCSA-N 2 2 284.404 0.053 20 0 CCADLP CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)NCC1([NH+](C)C)CC1 ZINC000922982474 616253826 /nfs/dbraw/zinc/25/38/26/616253826.db2.gz QGPITXUYSYXZOX-GFCCVEGCSA-N 2 2 284.404 0.053 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@@H]2C1 ZINC000812330004 616324338 /nfs/dbraw/zinc/32/43/38/616324338.db2.gz ADZCRHHPHZFDTA-MCIONIFRSA-N 2 2 288.395 0.856 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@@H]2C1 ZINC000812330004 616324342 /nfs/dbraw/zinc/32/43/42/616324342.db2.gz ADZCRHHPHZFDTA-MCIONIFRSA-N 2 2 288.395 0.856 20 0 CCADLP COCC[N@@H+]1CCC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000948812696 616341038 /nfs/dbraw/zinc/34/10/38/616341038.db2.gz LWRSULLGBQPRIG-CQSZACIVSA-N 2 2 294.399 0.912 20 0 CCADLP COCC[N@H+]1CCC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC000948812696 616341042 /nfs/dbraw/zinc/34/10/42/616341042.db2.gz LWRSULLGBQPRIG-CQSZACIVSA-N 2 2 294.399 0.912 20 0 CCADLP COC(OC)[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000895788917 616347433 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IMXYORWCJMNKLU-ZIAGYGMSSA-N 2 2 299.390 0.257 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H]([NH2+]CC2CCC2)C1 ZINC000970856565 624771805 /nfs/dbraw/zinc/77/18/05/624771805.db2.gz NJWSLIWRBDAZCH-CYBMUJFWSA-N 2 2 262.357 0.874 20 0 CCADLP O[C@H](C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)CC(F)(F)F ZINC000307949524 624821143 /nfs/dbraw/zinc/82/11/43/624821143.db2.gz QQOYRTONFLCZNT-UTLUCORTSA-N 2 2 252.280 0.984 20 0 CCADLP O[C@H](C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)CC(F)(F)F ZINC000307949524 624821146 /nfs/dbraw/zinc/82/11/46/624821146.db2.gz QQOYRTONFLCZNT-UTLUCORTSA-N 2 2 252.280 0.984 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891350770 624822180 /nfs/dbraw/zinc/82/21/80/624822180.db2.gz UYPIRGABYGDTEM-VNHYZAJKSA-N 2 2 296.415 0.291 20 0 CCADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000891507026 624880945 /nfs/dbraw/zinc/88/09/45/624880945.db2.gz OPXLFXIFZCIFIR-RYUDHWBXSA-N 2 2 284.404 0.228 20 0 CCADLP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCC[N@H+]1CCOCC1(C)C 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O=C(CC[NH2+][C@H]1CC[NH2+]C12CCCC2)N1CC[NH2+]CC1 ZINC000903485082 634579281 /nfs/dbraw/zinc/57/92/81/634579281.db2.gz ZXQCYZIWXLFXLJ-ZDUSSCGKSA-N 3 2 280.416 0.073 20 0 CCADLP O=S1(=O)CCC[N@H+](CC2CC[NH2+]CC2)[C@@H](C2CC2)C1 ZINC000903707546 634628541 /nfs/dbraw/zinc/62/85/41/634628541.db2.gz CEMVOIIJMTVQQR-CQSZACIVSA-N 2 2 286.441 0.885 20 0 CCADLP O=S1(=O)CCC[N@@H+](CC2CC[NH2+]CC2)[C@@H](C2CC2)C1 ZINC000903707546 634628543 /nfs/dbraw/zinc/62/85/43/634628543.db2.gz CEMVOIIJMTVQQR-CQSZACIVSA-N 2 2 286.441 0.885 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903713133 634631966 /nfs/dbraw/zinc/63/19/66/634631966.db2.gz GDTWXWJHVWDXRK-XGUBFFRZSA-N 3 2 267.417 0.957 20 0 CCADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903713133 634631970 /nfs/dbraw/zinc/63/19/70/634631970.db2.gz GDTWXWJHVWDXRK-XGUBFFRZSA-N 3 2 267.417 0.957 20 0 CCADLP O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869943 634671164 /nfs/dbraw/zinc/67/11/64/634671164.db2.gz KZTZPKOLYXFHFK-SOUVJXGZSA-N 2 2 284.400 0.371 20 0 CCADLP O[C@H](COC[C@@H]1CCCO1)C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869943 634671168 /nfs/dbraw/zinc/67/11/68/634671168.db2.gz KZTZPKOLYXFHFK-SOUVJXGZSA-N 2 2 284.400 0.371 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cnn1C ZINC000903892565 634678228 /nfs/dbraw/zinc/67/82/28/634678228.db2.gz JPEJJYNKTVOAPE-HUUCEWRRSA-N 3 2 293.459 0.729 20 0 CCADLP Cc1c(C[C@H](C[NH3+])C[N@H+]2CC[C@H](C[NH+](C)C)C2)cnn1C ZINC000903892565 634678231 /nfs/dbraw/zinc/67/82/31/634678231.db2.gz JPEJJYNKTVOAPE-HUUCEWRRSA-N 3 2 293.459 0.729 20 0 CCADLP NC(=O)CCC1CC[NH+](C[C@H]([NH3+])CC(F)F)CC1 ZINC000903895895 634679428 /nfs/dbraw/zinc/67/94/28/634679428.db2.gz RMPYYWVZLFFKAM-SNVBAGLBSA-N 2 2 263.332 0.946 20 0 CCADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCOC[C@H]2C2CC2)cnn1C ZINC000903895455 634679571 /nfs/dbraw/zinc/67/95/71/634679571.db2.gz OAXXEQCPVVGPMF-BBRMVZONSA-N 2 2 292.427 0.957 20 0 CCADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCOC[C@H]2C2CC2)cnn1C ZINC000903895455 634679574 /nfs/dbraw/zinc/67/95/74/634679574.db2.gz OAXXEQCPVVGPMF-BBRMVZONSA-N 2 2 292.427 0.957 20 0 CCADLP FC1(F)[C@H]2C[N@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C[C@H]21 ZINC000903931408 634690459 /nfs/dbraw/zinc/69/04/59/634690459.db2.gz CSYCHHSWSSYULK-ZMLRMANQSA-N 2 2 283.326 0.900 20 0 CCADLP FC1(F)[C@H]2C[N@@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C[C@H]21 ZINC000903931408 634690464 /nfs/dbraw/zinc/69/04/64/634690464.db2.gz CSYCHHSWSSYULK-ZMLRMANQSA-N 2 2 283.326 0.900 20 0 CCADLP C[C@@]1(C[N@@H+]2CCN3C(=O)NC[C@H]3C2)CCC[NH2+]C1 ZINC000904327944 634728705 /nfs/dbraw/zinc/72/87/05/634728705.db2.gz JVOWIENQVXHEJE-WCQYABFASA-N 2 2 252.362 0.086 20 0 CCADLP C[C@@]1(C[N@H+]2CCN3C(=O)NC[C@H]3C2)CCC[NH2+]C1 ZINC000904327944 634728713 /nfs/dbraw/zinc/72/87/13/634728713.db2.gz JVOWIENQVXHEJE-WCQYABFASA-N 2 2 252.362 0.086 20 0 CCADLP C[C@]1(C[N@@H+]2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)CCC[NH2+]C1 ZINC000904385518 634741309 /nfs/dbraw/zinc/74/13/09/634741309.db2.gz XWYDFFAGEMQMIB-IHRRRGAJSA-N 2 2 286.441 0.743 20 0 CCADLP C[C@]1(C[N@H+]2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)CCC[NH2+]C1 ZINC000904385518 634741312 /nfs/dbraw/zinc/74/13/12/634741312.db2.gz XWYDFFAGEMQMIB-IHRRRGAJSA-N 2 2 286.441 0.743 20 0 CCADLP C[C@]1(C[N@@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)CCC[NH2+]C1 ZINC000904385520 634741408 /nfs/dbraw/zinc/74/14/08/634741408.db2.gz XWYDFFAGEMQMIB-MCIONIFRSA-N 2 2 286.441 0.743 20 0 CCADLP C[C@]1(C[N@H+]2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)CCC[NH2+]C1 ZINC000904385520 634741411 /nfs/dbraw/zinc/74/14/11/634741411.db2.gz XWYDFFAGEMQMIB-MCIONIFRSA-N 2 2 286.441 0.743 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC[C@H]1CCCS1(=O)=O ZINC000925762453 630950944 /nfs/dbraw/zinc/95/09/44/630950944.db2.gz LAVFDPGNZHXWIX-UTUOFQBUSA-N 2 2 260.403 0.541 20 0 CCADLP C[C@@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)[C@@H]1CCC[NH2+]1 ZINC000925765175 630967756 /nfs/dbraw/zinc/96/77/56/630967756.db2.gz KJZAMMMARZOOEH-WOPDTQHZSA-N 2 2 260.403 0.684 20 0 CCADLP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000925770815 631005031 /nfs/dbraw/zinc/00/50/31/631005031.db2.gz VGWZSDQFELIFLM-XHSDSOJGSA-N 3 2 298.475 0.498 20 0 CCADLP O=C1COc2ccccc2CN1CC[NH2+][C@H]1CC[NH2+]C1 ZINC000925806005 631271187 /nfs/dbraw/zinc/27/11/87/631271187.db2.gz NQJTZEHXYCNTLP-ZDUSSCGKSA-N 2 2 275.352 0.359 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[C@@H]([NH2+]CCF)C1 ZINC000981550502 631288494 /nfs/dbraw/zinc/28/84/94/631288494.db2.gz NLQAQAHQEIQCTH-VXGBXAGGSA-N 2 2 268.336 0.870 20 0 CCADLP Cn1nc(Br)nc1C[NH2+]CCCn1cc[nH+]c1 ZINC000894145455 631558808 /nfs/dbraw/zinc/55/88/08/631558808.db2.gz LIRLQWGVZHJFEF-UHFFFAOYSA-N 2 2 299.176 0.954 20 0 CCADLP C[C@@H]([NH2+]C[C@H](C)[NH+](C)C)C1CCN(S(C)(=O)=O)CC1 ZINC000894743831 631823301 /nfs/dbraw/zinc/82/33/01/631823301.db2.gz YMDYNGVTEHBSEC-NWDGAFQWSA-N 2 2 291.461 0.586 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC[C@@H](C)[NH+](C)C)c[nH+]1 ZINC000895682938 632132205 /nfs/dbraw/zinc/13/22/05/632132205.db2.gz YGQKDSWFBKPJHZ-LLVKDONJSA-N 2 2 252.362 0.993 20 0 CCADLP C[C@@H](CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)[NH+](C)C ZINC000895681596 632132402 /nfs/dbraw/zinc/13/24/02/632132402.db2.gz RXPMKGWEKDQMAI-GWCFXTLKSA-N 2 2 279.388 0.856 20 0 CCADLP C[C@@H](CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)[NH+](C)C ZINC000895681596 632132406 /nfs/dbraw/zinc/13/24/06/632132406.db2.gz RXPMKGWEKDQMAI-GWCFXTLKSA-N 2 2 279.388 0.856 20 0 CCADLP C[C@H](O)CNc1cc(NC[C@H]2CC[N@H+]2C)nc[nH+]1 ZINC000895772212 632150680 /nfs/dbraw/zinc/15/06/80/632150680.db2.gz XZWIWNXDOJPZJZ-VHSXEESVSA-N 2 2 251.334 0.385 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CN(C)CC[NH+]1C ZINC000896533239 632267526 /nfs/dbraw/zinc/26/75/26/632267526.db2.gz GRTIZDKLPHHEAM-REWJHTLYSA-N 2 2 282.432 0.077 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CN(C)CC[NH+]1C ZINC000896533239 632267530 /nfs/dbraw/zinc/26/75/30/632267530.db2.gz GRTIZDKLPHHEAM-REWJHTLYSA-N 2 2 282.432 0.077 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CN(C)CC[N@@H+]1C ZINC000896533239 632267535 /nfs/dbraw/zinc/26/75/35/632267535.db2.gz GRTIZDKLPHHEAM-REWJHTLYSA-N 2 2 282.432 0.077 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CN(C)CC[N@H+]1C ZINC000896533239 632267539 /nfs/dbraw/zinc/26/75/39/632267539.db2.gz GRTIZDKLPHHEAM-REWJHTLYSA-N 2 2 282.432 0.077 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H](C[NH2+]CC2CC2)C1 ZINC000984959574 632344857 /nfs/dbraw/zinc/34/48/57/632344857.db2.gz SUDDWRULKPQHBP-HAQNSBGRSA-N 2 2 262.357 0.847 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000897365023 632705680 /nfs/dbraw/zinc/70/56/80/632705680.db2.gz QFFOLHCPZYCNSK-GFCCVEGCSA-N 2 2 264.373 0.952 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000897365023 632705683 /nfs/dbraw/zinc/70/56/83/632705683.db2.gz QFFOLHCPZYCNSK-GFCCVEGCSA-N 2 2 264.373 0.952 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)[C@@H]1C ZINC000986605581 632779025 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C[C@@H]1C[C@@H]([NH2+]CCCn2ccc(=O)[nH]c2=O)C[N@@H+]1C1CC1 ZINC000898332323 633305461 /nfs/dbraw/zinc/30/54/61/633305461.db2.gz KPLDUJDJYMWMAK-VXGBXAGGSA-N 2 2 292.383 0.554 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCCn2ccc(=O)[nH]c2=O)C[N@H+]1C1CC1 ZINC000898332323 633305466 /nfs/dbraw/zinc/30/54/66/633305466.db2.gz KPLDUJDJYMWMAK-VXGBXAGGSA-N 2 2 292.383 0.554 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000989584616 633331219 /nfs/dbraw/zinc/33/12/19/633331219.db2.gz HKCBSYIZDGNFOD-CYBMUJFWSA-N 2 2 294.399 0.268 20 0 CCADLP C[C@@H](O)C[N@H+]1CCCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC000989584616 633331222 /nfs/dbraw/zinc/33/12/22/633331222.db2.gz HKCBSYIZDGNFOD-CYBMUJFWSA-N 2 2 294.399 0.268 20 0 CCADLP CC(C)[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000989616617 633335229 /nfs/dbraw/zinc/33/52/29/633335229.db2.gz YDPNLJPHZGZIMB-QWRGUYRKSA-N 2 2 250.346 0.940 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CC1COC1 ZINC000900692636 634071684 /nfs/dbraw/zinc/07/16/84/634071684.db2.gz IMHSVNKEFYGGKW-UHFFFAOYSA-N 2 2 283.416 0.507 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CC1COC1 ZINC000900692636 634071691 /nfs/dbraw/zinc/07/16/91/634071691.db2.gz IMHSVNKEFYGGKW-UHFFFAOYSA-N 2 2 283.416 0.507 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001009208951 650140023 /nfs/dbraw/zinc/14/00/23/650140023.db2.gz RWFXSWAEBAWUIG-STQMWFEESA-N 2 2 294.399 0.578 20 0 CCADLP CO[C@@H](C)C[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001009208951 650140026 /nfs/dbraw/zinc/14/00/26/650140026.db2.gz RWFXSWAEBAWUIG-STQMWFEESA-N 2 2 294.399 0.578 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@H+](C[C@@H](C)O)C1 ZINC001009347069 650142920 /nfs/dbraw/zinc/14/29/20/650142920.db2.gz PFQIEFKKFZFSLC-ZYHUDNBSSA-N 2 2 280.372 0.222 20 0 CCADLP CO[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001009707610 650155424 /nfs/dbraw/zinc/15/54/24/650155424.db2.gz LISLDWAAFITNFP-CHWSQXEVSA-N 2 2 280.372 0.499 20 0 CCADLP CO[C@H](C)C[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001009707610 650155428 /nfs/dbraw/zinc/15/54/28/650155428.db2.gz LISLDWAAFITNFP-CHWSQXEVSA-N 2 2 280.372 0.499 20 0 CCADLP Nc1ccc(Cn2cc(C[C@H]3CCC[NH2+]C3)nn2)c[nH+]1 ZINC000905817511 634911467 /nfs/dbraw/zinc/91/14/67/634911467.db2.gz QYABTWGWRLBQMZ-LLVKDONJSA-N 2 2 272.356 0.846 20 0 CCADLP Cc1nocc1C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001010370311 650208612 /nfs/dbraw/zinc/20/86/12/650208612.db2.gz VHODKFOACHEABC-ZIAGYGMSSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1nocc1C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001010370311 650208615 /nfs/dbraw/zinc/20/86/15/650208615.db2.gz VHODKFOACHEABC-ZIAGYGMSSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1nocc1C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010370311 650208620 /nfs/dbraw/zinc/20/86/20/650208620.db2.gz VHODKFOACHEABC-ZIAGYGMSSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1nocc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001010370311 650208623 /nfs/dbraw/zinc/20/86/23/650208623.db2.gz VHODKFOACHEABC-ZIAGYGMSSA-N 2 2 292.383 0.768 20 0 CCADLP Cc1cc(CNC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)cc(C)[nH+]1 ZINC000911318770 636231268 /nfs/dbraw/zinc/23/12/68/636231268.db2.gz ZHWKQPFDPSZASS-AULYBMBSSA-N 2 2 290.367 0.168 20 0 CCADLP [NH3+]CC1(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC000911799897 636392755 /nfs/dbraw/zinc/39/27/55/636392755.db2.gz KDLHJNVSSVMFSS-NSHDSACASA-N 2 2 262.357 0.833 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000911801270 636394290 /nfs/dbraw/zinc/39/42/90/636394290.db2.gz ASKFTHIJAVVZFX-ZANVPECISA-N 2 2 250.346 0.832 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000911801270 636394297 /nfs/dbraw/zinc/39/42/97/636394297.db2.gz ASKFTHIJAVVZFX-ZANVPECISA-N 2 2 250.346 0.832 20 0 CCADLP C[C@H](C(=O)N1CC[N@H+](C)C[C@H]1CO)[NH+]1CCCCCC1 ZINC000912744432 636666902 /nfs/dbraw/zinc/66/69/02/636666902.db2.gz WBPGGWLADREWNA-KGLIPLIRSA-N 2 2 283.416 0.386 20 0 CCADLP C[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1CO)[NH+]1CCCCCC1 ZINC000912744432 636666905 /nfs/dbraw/zinc/66/69/05/636666905.db2.gz WBPGGWLADREWNA-KGLIPLIRSA-N 2 2 283.416 0.386 20 0 CCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912904657 636707763 /nfs/dbraw/zinc/70/77/63/636707763.db2.gz TWDREDRMFLNGMS-CHWSQXEVSA-N 2 2 274.368 0.752 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000311143569 636866707 /nfs/dbraw/zinc/86/67/07/636866707.db2.gz LPOACCLWTYEPQX-IHRRRGAJSA-N 3 2 255.406 0.502 20 0 CCADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000311143569 636866711 /nfs/dbraw/zinc/86/67/11/636866711.db2.gz LPOACCLWTYEPQX-IHRRRGAJSA-N 3 2 255.406 0.502 20 0 CCADLP C[N@@H+]1CCC[C@@H]2C[NH+](CN3CCCC3=O)CC[C@@H]21 ZINC000164667911 636876949 /nfs/dbraw/zinc/87/69/49/636876949.db2.gz ZAKDJLQAZCJHDI-OLZOCXBDSA-N 2 2 251.374 0.982 20 0 CCADLP C[N@H+]1CCC[C@@H]2C[NH+](CN3CCCC3=O)CC[C@@H]21 ZINC000164667911 636876955 /nfs/dbraw/zinc/87/69/55/636876955.db2.gz ZAKDJLQAZCJHDI-OLZOCXBDSA-N 2 2 251.374 0.982 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@H+](CN3CCCC3=O)CC[C@@H]21 ZINC000164667911 636876957 /nfs/dbraw/zinc/87/69/57/636876957.db2.gz ZAKDJLQAZCJHDI-OLZOCXBDSA-N 2 2 251.374 0.982 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@@H+](CN3CCCC3=O)CC[C@@H]21 ZINC000164667911 636876961 /nfs/dbraw/zinc/87/69/61/636876961.db2.gz ZAKDJLQAZCJHDI-OLZOCXBDSA-N 2 2 251.374 0.982 20 0 CCADLP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC000311499120 637316543 /nfs/dbraw/zinc/31/65/43/637316543.db2.gz DWEHFMJYMUGPCX-ILXRZTDVSA-N 3 2 267.417 0.327 20 0 CCADLP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC000311499120 637316549 /nfs/dbraw/zinc/31/65/49/637316549.db2.gz DWEHFMJYMUGPCX-ILXRZTDVSA-N 3 2 267.417 0.327 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC000311499120 637316554 /nfs/dbraw/zinc/31/65/54/637316554.db2.gz DWEHFMJYMUGPCX-ILXRZTDVSA-N 3 2 267.417 0.327 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC000311499120 637316558 /nfs/dbraw/zinc/31/65/58/637316558.db2.gz DWEHFMJYMUGPCX-ILXRZTDVSA-N 3 2 267.417 0.327 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000261567669 637398227 /nfs/dbraw/zinc/39/82/27/637398227.db2.gz IGKUJMKEROVOGB-VXGBXAGGSA-N 2 2 269.389 0.211 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000261567669 637398233 /nfs/dbraw/zinc/39/82/33/637398233.db2.gz IGKUJMKEROVOGB-VXGBXAGGSA-N 2 2 269.389 0.211 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[NH+](CCCCCO)CC1 ZINC000913693344 637409855 /nfs/dbraw/zinc/40/98/55/637409855.db2.gz XOXULXXWVJBBJD-UHFFFAOYSA-N 2 2 294.399 0.269 20 0 CCADLP C[C@H](O)C[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@H]12 ZINC000992536719 637466195 /nfs/dbraw/zinc/46/61/95/637466195.db2.gz RZHJPOVDTLJRLI-YDHLFZDLSA-N 2 2 292.383 0.377 20 0 CCADLP C[C@H](O)C[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@H]12 ZINC000992536719 637466202 /nfs/dbraw/zinc/46/62/02/637466202.db2.gz RZHJPOVDTLJRLI-YDHLFZDLSA-N 2 2 292.383 0.377 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](C[C@H]2COc3ccccc3O2)CCCO1 ZINC000313407935 637500536 /nfs/dbraw/zinc/50/05/36/637500536.db2.gz YMLMCPGRZQVMNQ-OLZOCXBDSA-N 2 2 278.352 0.876 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2COc3ccccc3O2)CCCO1 ZINC000313407935 637500539 /nfs/dbraw/zinc/50/05/39/637500539.db2.gz YMLMCPGRZQVMNQ-OLZOCXBDSA-N 2 2 278.352 0.876 20 0 CCADLP C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C)C[C@@H]1[NH+]1CCOCC1 ZINC000925413675 637681631 /nfs/dbraw/zinc/68/16/31/637681631.db2.gz LGNNRMGIEPGXMP-RDBSUJKOSA-N 2 2 296.415 0.053 20 0 CCADLP C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+]2C)C[C@@H]1[NH+]1CCOCC1 ZINC000925413675 637681635 /nfs/dbraw/zinc/68/16/35/637681635.db2.gz LGNNRMGIEPGXMP-RDBSUJKOSA-N 2 2 296.415 0.053 20 0 CCADLP C[N@@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1CCSCC1 ZINC000918229218 638008663 /nfs/dbraw/zinc/00/86/63/638008663.db2.gz QORWMSVFAUWTIQ-LLVKDONJSA-N 2 2 272.418 0.039 20 0 CCADLP C[N@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1CCSCC1 ZINC000918229218 638008670 /nfs/dbraw/zinc/00/86/70/638008670.db2.gz QORWMSVFAUWTIQ-LLVKDONJSA-N 2 2 272.418 0.039 20 0 CCADLP C[C@H]1C[N@H+](CCF)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944101957 638761984 /nfs/dbraw/zinc/76/19/84/638761984.db2.gz XXXXEFOIXSYHGD-WCQYABFASA-N 2 2 282.363 0.759 20 0 CCADLP C[C@H]1C[N@@H+](CCF)CC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC000944101957 638761987 /nfs/dbraw/zinc/76/19/87/638761987.db2.gz XXXXEFOIXSYHGD-WCQYABFASA-N 2 2 282.363 0.759 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]([NH2+]CCF)C(C)(C)C2)C1 ZINC000995596487 638779950 /nfs/dbraw/zinc/77/99/50/638779950.db2.gz IEGBWUAMRJUFSA-NEPJUHHUSA-N 2 2 287.379 0.113 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]([NH2+]CCF)C(C)(C)C2)C1 ZINC000995596487 638779953 /nfs/dbraw/zinc/77/99/53/638779953.db2.gz IEGBWUAMRJUFSA-NEPJUHHUSA-N 2 2 287.379 0.113 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]([NH2+]CCO)C(C)(C)C1 ZINC000996573634 638823135 /nfs/dbraw/zinc/82/31/35/638823135.db2.gz KWWDZNZDHUDGCP-CYBMUJFWSA-N 2 2 294.399 0.172 20 0 CCADLP C[C@@H](O)C[NH2+]C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC000997043790 638849693 /nfs/dbraw/zinc/84/96/93/638849693.db2.gz BEZHGVONWZMXQV-QWHCGFSZSA-N 2 2 294.399 0.796 20 0 CCADLP C[C@@H](O)C[NH2+]C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000997083185 638851231 /nfs/dbraw/zinc/85/12/31/638851231.db2.gz HXSBKLKKYMCQDE-VXGBXAGGSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@@H](O)C[NH2+]C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000997083185 638851233 /nfs/dbraw/zinc/85/12/33/638851233.db2.gz HXSBKLKKYMCQDE-VXGBXAGGSA-N 2 2 294.399 0.550 20 0 CCADLP CC[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC000997093240 638852011 /nfs/dbraw/zinc/85/20/11/638852011.db2.gz IXWUCWOYNLAANY-UHFFFAOYSA-N 2 2 283.416 0.698 20 0 CCADLP CN(C(=O)c1cc(C[NH+](C)C)on1)C1CC([NH2+]CCF)C1 ZINC000999022587 638955497 /nfs/dbraw/zinc/95/54/97/638955497.db2.gz CFYDNEXXGLNFES-UHFFFAOYSA-N 2 2 298.362 0.898 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1CCCN(C(=O)CCc2[nH]cc[nH+]2)C1 ZINC000999047722 638957246 /nfs/dbraw/zinc/95/72/46/638957246.db2.gz WITRITANLSAEKG-RYUDHWBXSA-N 2 2 280.372 0.304 20 0 CCADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC[C@@H]([NH2+]CCF)C1 ZINC000999547385 638985166 /nfs/dbraw/zinc/98/51/66/638985166.db2.gz OWQFAAPUZDHBCK-CHWSQXEVSA-N 2 2 294.374 0.996 20 0 CCADLP CN(C(=O)Cc1c[nH+]cn1C)C1CC([NH2+]CC2CC2)C1 ZINC000999687784 638992956 /nfs/dbraw/zinc/99/29/56/638992956.db2.gz JXXUDHXKZOVPRK-UHFFFAOYSA-N 2 2 276.384 0.952 20 0 CCADLP CC[NH2+][C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC000999773687 638995716 /nfs/dbraw/zinc/99/57/16/638995716.db2.gz CHRHQNUBZPDAGC-GFCCVEGCSA-N 2 2 264.373 0.953 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]([NH2+]CC2CC2)C1 ZINC001000564878 639116894 /nfs/dbraw/zinc/11/68/94/639116894.db2.gz PLIULOHQOAZEQA-GFCCVEGCSA-N 2 2 262.357 0.943 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]([NH2+]C[C@H](C)O)C1 ZINC001000794728 639168285 /nfs/dbraw/zinc/16/82/85/639168285.db2.gz JGLNDONTRQSNCD-CMPLNLGQSA-N 2 2 280.372 0.222 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]([NH2+]CCF)C1 ZINC001001052331 639221846 /nfs/dbraw/zinc/22/18/46/639221846.db2.gz LKVDKALQHAMGIY-LLVKDONJSA-N 2 2 254.309 0.433 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NCC2=CC[NH+](CCF)CC2)C1 ZINC001001461144 639299987 /nfs/dbraw/zinc/29/99/87/639299987.db2.gz HISZPYBOHHJJSS-AWEZNQCLSA-N 2 2 299.390 0.425 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NCC2=CC[NH+](CCF)CC2)C1 ZINC001001461144 639299993 /nfs/dbraw/zinc/29/99/93/639299993.db2.gz HISZPYBOHHJJSS-AWEZNQCLSA-N 2 2 299.390 0.425 20 0 CCADLP O=C(NC1CC[NH+](CCO)CC1)c1cccc2[nH+]ccn21 ZINC001003293136 639525801 /nfs/dbraw/zinc/52/58/01/639525801.db2.gz IRTJYPOAYXZRMC-UHFFFAOYSA-N 2 2 288.351 0.521 20 0 CCADLP [NH3+][C@@H]1C[C@@H]1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000424154119 639532607 /nfs/dbraw/zinc/53/26/07/639532607.db2.gz LCYZRMCOAGOFNS-UONOGXRCSA-N 2 2 275.352 0.805 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001014998612 650513294 /nfs/dbraw/zinc/51/32/94/650513294.db2.gz CQSGWDGVMWEFPO-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001014998612 650513296 /nfs/dbraw/zinc/51/32/96/650513296.db2.gz CQSGWDGVMWEFPO-RYUDHWBXSA-N 2 2 262.357 0.656 20 0 CCADLP COCC[NH+]1CCC(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001003972223 639658900 /nfs/dbraw/zinc/65/89/00/639658900.db2.gz WBVXVLIIQSAEND-UHFFFAOYSA-N 2 2 280.372 0.190 20 0 CCADLP C[C@@H](CNC(=O)NCc1nc(C[NH+](C)C)cs1)[NH+](C)C ZINC000922743543 639780432 /nfs/dbraw/zinc/78/04/32/639780432.db2.gz QCSIEBAKHKTVDV-JTQLQIEISA-N 2 2 299.444 0.954 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NCCc2cn(C)c[nH+]2)CC[N@@H+]1C ZINC000922820365 639799898 /nfs/dbraw/zinc/79/98/98/639799898.db2.gz DLVGWUYPBNEZMT-PWSUYJOCSA-N 2 2 265.361 0.354 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)NCCc2cn(C)c[nH+]2)CC[N@H+]1C ZINC000922820365 639799901 /nfs/dbraw/zinc/79/99/01/639799901.db2.gz DLVGWUYPBNEZMT-PWSUYJOCSA-N 2 2 265.361 0.354 20 0 CCADLP C[C@H](CNC(=O)NC[C@H]1CC[N@@H+]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000923117221 640026247 /nfs/dbraw/zinc/02/62/47/640026247.db2.gz NZIJXQNSHTVECW-YIYPIFLZSA-N 2 2 298.431 0.487 20 0 CCADLP C[C@H](CNC(=O)NC[C@H]1CC[N@H+]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000923117221 640026255 /nfs/dbraw/zinc/02/62/55/640026255.db2.gz NZIJXQNSHTVECW-YIYPIFLZSA-N 2 2 298.431 0.487 20 0 CCADLP C[C@H](CNC(=O)NC[C@H]1CC[NH+]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000923117221 640026261 /nfs/dbraw/zinc/02/62/61/640026261.db2.gz NZIJXQNSHTVECW-YIYPIFLZSA-N 2 2 298.431 0.487 20 0 CCADLP C[C@H](CNC(=O)NC[C@H]1CC[NH+]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000923117221 640026266 /nfs/dbraw/zinc/02/62/66/640026266.db2.gz NZIJXQNSHTVECW-YIYPIFLZSA-N 2 2 298.431 0.487 20 0 CCADLP [NH3+]C[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1 ZINC000923291761 640071228 /nfs/dbraw/zinc/07/12/28/640071228.db2.gz FYSSZTANLDYCFA-OLZOCXBDSA-N 2 2 250.342 0.849 20 0 CCADLP [NH3+]C[C@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1 ZINC000923291761 640071248 /nfs/dbraw/zinc/07/12/48/640071248.db2.gz FYSSZTANLDYCFA-OLZOCXBDSA-N 2 2 250.342 0.849 20 0 CCADLP C[C@@H](C[NH3+])[N@H+](C)C[C@H](O)COc1ccccc1F ZINC000923289700 640071866 /nfs/dbraw/zinc/07/18/66/640071866.db2.gz KDUGPMJVGIOTHT-QWRGUYRKSA-N 2 2 256.321 0.844 20 0 CCADLP C[C@@H](C[NH3+])[N@@H+](C)C[C@H](O)COc1ccccc1F ZINC000923289700 640071870 /nfs/dbraw/zinc/07/18/70/640071870.db2.gz KDUGPMJVGIOTHT-QWRGUYRKSA-N 2 2 256.321 0.844 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(CCC[NH2+]C2CC2)CC1 ZINC000923318149 640079377 /nfs/dbraw/zinc/07/93/77/640079377.db2.gz FBVLUKVLCOPVSH-ZDUSSCGKSA-N 2 2 294.443 0.413 20 0 CCADLP [NH3+][C@@H]1C[C@H](O)[C@@H]([NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000923327466 640088489 /nfs/dbraw/zinc/08/84/89/640088489.db2.gz PXSQNYBEKYIGKM-UBHSHLNASA-N 3 2 262.357 0.054 20 0 CCADLP Cc1noc([C@@H](C)[N@H+](C)C[C@H]2CC3(C[NH2+]C3)CO2)n1 ZINC000923386086 640116971 /nfs/dbraw/zinc/11/69/71/640116971.db2.gz DCMNCNSZLLQKEK-MWLCHTKSSA-N 2 2 266.345 0.749 20 0 CCADLP Cc1noc([C@@H](C)[N@@H+](C)C[C@H]2CC3(C[NH2+]C3)CO2)n1 ZINC000923386086 640116975 /nfs/dbraw/zinc/11/69/75/640116975.db2.gz DCMNCNSZLLQKEK-MWLCHTKSSA-N 2 2 266.345 0.749 20 0 CCADLP COc1cc(C[N@@H+]2CC[C@@H](n3cc(C[NH3+])nn3)C2)sn1 ZINC000923412486 640127329 /nfs/dbraw/zinc/12/73/29/640127329.db2.gz XVCLRBWJCHOAPK-SNVBAGLBSA-N 2 2 294.384 0.649 20 0 CCADLP COc1cc(C[N@H+]2CC[C@@H](n3cc(C[NH3+])nn3)C2)sn1 ZINC000923412486 640127332 /nfs/dbraw/zinc/12/73/32/640127332.db2.gz XVCLRBWJCHOAPK-SNVBAGLBSA-N 2 2 294.384 0.649 20 0 CCADLP [NH3+][C@]1(CO)CCC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000923473742 640153622 /nfs/dbraw/zinc/15/36/22/640153622.db2.gz VHPWSGBKYXFDPU-ZIAGYGMSSA-N 2 2 256.390 0.713 20 0 CCADLP [NH3+][C@]1(CO)CCC[N@@H+](C[C@H](O)CC2CCCC2)C1 ZINC000923473742 640153631 /nfs/dbraw/zinc/15/36/31/640153631.db2.gz VHPWSGBKYXFDPU-ZIAGYGMSSA-N 2 2 256.390 0.713 20 0 CCADLP [NH3+][C@@]1(CO)CCC[N@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000923474585 640154678 /nfs/dbraw/zinc/15/46/78/640154678.db2.gz TXALGUALPCWLLH-JSGCOSHPSA-N 2 2 254.374 0.731 20 0 CCADLP [NH3+][C@@]1(CO)CCC[N@@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000923474585 640154681 /nfs/dbraw/zinc/15/46/81/640154681.db2.gz TXALGUALPCWLLH-JSGCOSHPSA-N 2 2 254.374 0.731 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[C@@H](C)O1 ZINC000923522229 640179042 /nfs/dbraw/zinc/17/90/42/640179042.db2.gz XHQMJERVAUNVGN-YIYPIFLZSA-N 2 2 281.400 0.164 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[C@@H](C)O1 ZINC000923522229 640179049 /nfs/dbraw/zinc/17/90/49/640179049.db2.gz XHQMJERVAUNVGN-YIYPIFLZSA-N 2 2 281.400 0.164 20 0 CCADLP O=C1CC[C@@H]([N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C(=O)N1 ZINC000799119943 640544259 /nfs/dbraw/zinc/54/42/59/640544259.db2.gz HHKQRLVRLRTKEA-GHMZBOCLSA-N 2 2 262.313 0.325 20 0 CCADLP O=C1CC[C@@H]([N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C(=O)N1 ZINC000799119943 640544264 /nfs/dbraw/zinc/54/42/64/640544264.db2.gz HHKQRLVRLRTKEA-GHMZBOCLSA-N 2 2 262.313 0.325 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)N1CC[NH+](C)CC1 ZINC000114076504 650653354 /nfs/dbraw/zinc/65/33/54/650653354.db2.gz MXTMYMJFFAZYDF-GJZGRUSLSA-N 2 2 296.459 0.469 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)N1CC[NH+](C)CC1 ZINC000114076504 650653355 /nfs/dbraw/zinc/65/33/55/650653355.db2.gz MXTMYMJFFAZYDF-GJZGRUSLSA-N 2 2 296.459 0.469 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+]1CCN(C)CC1 ZINC000114076504 650653356 /nfs/dbraw/zinc/65/33/56/650653356.db2.gz MXTMYMJFFAZYDF-GJZGRUSLSA-N 2 2 296.459 0.469 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+]1CCN(C)CC1 ZINC000114076504 650653357 /nfs/dbraw/zinc/65/33/57/650653357.db2.gz MXTMYMJFFAZYDF-GJZGRUSLSA-N 2 2 296.459 0.469 20 0 CCADLP C[C@H](CNC(=O)C[NH+]1CCCC1)Cn1cc[nH+]c1 ZINC000820177191 641478558 /nfs/dbraw/zinc/47/85/58/641478558.db2.gz PBEXADOWUSJNMK-GFCCVEGCSA-N 2 2 250.346 0.731 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC001016112759 650683722 /nfs/dbraw/zinc/68/37/22/650683722.db2.gz FRJWBHCYKRLKIY-OLZOCXBDSA-N 2 2 292.383 0.488 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001016112759 650683723 /nfs/dbraw/zinc/68/37/23/650683723.db2.gz FRJWBHCYKRLKIY-OLZOCXBDSA-N 2 2 292.383 0.488 20 0 CCADLP O=C(/C=C\C[NH+]1CCOCC1)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000824112459 641806106 /nfs/dbraw/zinc/80/61/06/641806106.db2.gz SIMVRRNAWMOJLD-JQBDECOXSA-N 2 2 293.411 0.618 20 0 CCADLP Cc1[nH+]cc(CN2CC[NH+](CCCCO)CC2)n1C ZINC000824781841 641845289 /nfs/dbraw/zinc/84/52/89/641845289.db2.gz ANYPBDQODGLXDK-UHFFFAOYSA-N 2 2 266.389 0.619 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001016398152 650724896 /nfs/dbraw/zinc/72/48/96/650724896.db2.gz RRCHEKGSTGHSJL-CYBMUJFWSA-N 2 2 262.357 0.874 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001016398152 650724897 /nfs/dbraw/zinc/72/48/97/650724897.db2.gz RRCHEKGSTGHSJL-CYBMUJFWSA-N 2 2 262.357 0.874 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC001016398881 650725408 /nfs/dbraw/zinc/72/54/08/650725408.db2.gz ZUQUSWBZJMWYNI-KGLIPLIRSA-N 2 2 292.383 0.643 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC001016398881 650725411 /nfs/dbraw/zinc/72/54/11/650725411.db2.gz ZUQUSWBZJMWYNI-KGLIPLIRSA-N 2 2 292.383 0.643 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)NCCCCCC[NH3+])c1 ZINC000831173715 642322793 /nfs/dbraw/zinc/32/27/93/642322793.db2.gz ZBBQDQINDXRSCB-UHFFFAOYSA-N 2 2 267.377 0.781 20 0 CCADLP O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)[C@]1(F)CC[NH2+]C1 ZINC000831443927 642363972 /nfs/dbraw/zinc/36/39/72/642363972.db2.gz REFYITAUQCFNQI-FZMZJTMJSA-N 2 2 278.331 0.478 20 0 CCADLP COCC[NH+]1CCC2(C[C@H]2NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001016902547 650770202 /nfs/dbraw/zinc/77/02/02/650770202.db2.gz KEAWWOWCCHDTJH-GFCCVEGCSA-N 2 2 292.383 0.569 20 0 CCADLP COCC[NH+]1CCC2(C[C@@H]2NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001016902548 650770381 /nfs/dbraw/zinc/77/03/81/650770381.db2.gz KEAWWOWCCHDTJH-LBPRGKRZSA-N 2 2 292.383 0.569 20 0 CCADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000841063844 642802394 /nfs/dbraw/zinc/80/23/94/642802394.db2.gz ASDRARSUTOETRR-BXUZGUMPSA-N 2 2 277.368 0.781 20 0 CCADLP C[C@H]1CN(C(=O)C[NH2+][C@H](C[NH3+])C(C)(C)C)CCO1 ZINC000842474884 642899395 /nfs/dbraw/zinc/89/93/95/642899395.db2.gz DIUPIRPTTBEFFE-WDEREUQCSA-N 2 2 257.378 0.197 20 0 CCADLP O[C@H](C[NH2+]C[C@H](O)c1ccccc1F)C[NH+]1CCCC1 ZINC000843062714 642983688 /nfs/dbraw/zinc/98/36/88/642983688.db2.gz RJMDUZUJCSIPCF-DOMZBBRYSA-N 2 2 282.359 0.905 20 0 CCADLP Cn1c[nH+]cc1Cc1noc(-c2csc(C[NH3+])n2)n1 ZINC000843199923 643011718 /nfs/dbraw/zinc/01/17/18/643011718.db2.gz JZLNPKPRGAZDPT-UHFFFAOYSA-N 2 2 276.325 0.976 20 0 CCADLP O=C(CO[C@H]1CCC[NH2+]C1)NCCCn1cc[nH+]c1 ZINC000844165514 643166201 /nfs/dbraw/zinc/16/62/01/643166201.db2.gz IOZPFEASAVXTBM-LBPRGKRZSA-N 2 2 266.345 0.158 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)NCc2ccccn2)C1 ZINC000844218099 643184177 /nfs/dbraw/zinc/18/41/77/643184177.db2.gz QSNDLDCJUINSTC-LBPRGKRZSA-N 2 2 262.357 0.369 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)NCc2ccccn2)C1 ZINC000844218099 643184181 /nfs/dbraw/zinc/18/41/81/643184181.db2.gz QSNDLDCJUINSTC-LBPRGKRZSA-N 2 2 262.357 0.369 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](C/C=C\Cl)C1 ZINC000846219725 643388603 /nfs/dbraw/zinc/38/86/03/643388603.db2.gz FPVPIFCUYBDGOE-CJHWANRJSA-N 2 2 257.765 0.635 20 0 CCADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](C/C=C\Cl)C1 ZINC000846219725 643388605 /nfs/dbraw/zinc/38/86/05/643388605.db2.gz FPVPIFCUYBDGOE-CJHWANRJSA-N 2 2 257.765 0.635 20 0 CCADLP C[C@H]1CN(C(=[NH2+])NCCCn2cc[nH+]c2)CCO1 ZINC000848980361 643691515 /nfs/dbraw/zinc/69/15/15/643691515.db2.gz BZEURZQFWZHXFV-NSHDSACASA-N 2 2 251.334 0.518 20 0 CCADLP [NH3+]CC[N@H+](CC[C@@H]1CC1(Cl)Cl)C[C@H](O)CO ZINC000852753380 643994944 /nfs/dbraw/zinc/99/49/44/643994944.db2.gz JBGSKZZNSYSLSU-BDAKNGLRSA-N 2 2 271.188 0.184 20 0 CCADLP [NH3+]CC[N@@H+](CC[C@@H]1CC1(Cl)Cl)C[C@H](O)CO ZINC000852753380 643994951 /nfs/dbraw/zinc/99/49/51/643994951.db2.gz JBGSKZZNSYSLSU-BDAKNGLRSA-N 2 2 271.188 0.184 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000854323115 644186046 /nfs/dbraw/zinc/18/60/46/644186046.db2.gz SJDWRCYEFUZATF-UHFFFAOYSA-N 2 2 291.399 0.192 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccnc(F)c1 ZINC000858227422 644601462 /nfs/dbraw/zinc/60/14/62/644601462.db2.gz UKWSIHRIQAHFCL-LBPRGKRZSA-N 2 2 280.347 0.650 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccnc(F)c1 ZINC000858227422 644601467 /nfs/dbraw/zinc/60/14/67/644601467.db2.gz UKWSIHRIQAHFCL-LBPRGKRZSA-N 2 2 280.347 0.650 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]([NH2+]CCF)C1 ZINC001019181574 650944435 /nfs/dbraw/zinc/94/44/35/650944435.db2.gz PRFIHFZFCSJLNG-NSHDSACASA-N 2 2 268.336 0.513 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001019214027 650947436 /nfs/dbraw/zinc/94/74/36/650947436.db2.gz GXHVFXNXVBNUGW-KGLIPLIRSA-N 2 2 292.383 0.500 20 0 CCADLP CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2nnc(C)[nH]2)C1)[NH+](C)C ZINC001019395048 650968669 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O=C(Cn1cc[nH+]c1)N1CC[C@H]([NH2+]CC2CCOCC2)C1 ZINC001019867834 651011197 /nfs/dbraw/zinc/01/11/97/651011197.db2.gz MNZHDEYJILDMIR-AWEZNQCLSA-N 2 2 292.383 0.500 20 0 CCADLP C[C@@H]1C[C@@H](N(C)C(=O)[C@H](O)c2c[nH+]c[nH]2)CC[N@@H+]1C ZINC000866050026 645470659 /nfs/dbraw/zinc/47/06/59/645470659.db2.gz QQJZAHDFIDHTJR-JFGNBEQYSA-N 2 2 266.345 0.384 20 0 CCADLP C[C@@H]1C[C@@H](N(C)C(=O)[C@H](O)c2c[nH+]c[nH]2)CC[N@H+]1C ZINC000866050026 645470667 /nfs/dbraw/zinc/47/06/67/645470667.db2.gz QQJZAHDFIDHTJR-JFGNBEQYSA-N 2 2 266.345 0.384 20 0 CCADLP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)[C@@H](C)[NH3+])C2)c1 ZINC000867997835 645699942 /nfs/dbraw/zinc/69/99/42/645699942.db2.gz KPKDQULQLSIPJT-HIFRSBDPSA-N 2 2 291.395 0.659 20 0 CCADLP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)[C@@H](C)[NH3+])C2)c1 ZINC000867997835 645699946 /nfs/dbraw/zinc/69/99/46/645699946.db2.gz KPKDQULQLSIPJT-HIFRSBDPSA-N 2 2 291.395 0.659 20 0 CCADLP Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)CC[NH3+])C2)cc1 ZINC000867997119 645700329 /nfs/dbraw/zinc/70/03/29/645700329.db2.gz BQNXYGVBIABWON-HNNXBMFYSA-N 2 2 291.395 0.661 20 0 CCADLP Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)CC[NH3+])C2)cc1 ZINC000867997119 645700333 /nfs/dbraw/zinc/70/03/33/645700333.db2.gz BQNXYGVBIABWON-HNNXBMFYSA-N 2 2 291.395 0.661 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001020308497 651058005 /nfs/dbraw/zinc/05/80/05/651058005.db2.gz GEKPWWFYYPNLQH-YVECIDJPSA-N 2 2 292.383 0.063 20 0 CCADLP CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001020307374 651058054 /nfs/dbraw/zinc/05/80/54/651058054.db2.gz DCVGRHPBSWWQCJ-SRVKXCTJSA-N 2 2 262.357 0.702 20 0 CCADLP C[C@@H](NC(=O)[C@H]1CC[C@@H]([NH3+])CC1)[C@H](C)[NH+]1CCOCC1 ZINC000870882462 646034486 /nfs/dbraw/zinc/03/44/86/646034486.db2.gz NRPDKNPIIKZQSX-RQJABVFESA-N 2 2 283.416 0.729 20 0 CCADLP C[C@@H](NC(=O)[C@H]1CC[C@H]([NH3+])CC1)[C@H](C)[NH+]1CCOCC1 ZINC000870882465 646034606 /nfs/dbraw/zinc/03/46/06/646034606.db2.gz NRPDKNPIIKZQSX-XJFOESAGSA-N 2 2 283.416 0.729 20 0 CCADLP O=C1N[C@H]2CC[N@H+](CC34CC(C3)C[NH2+]4)C[C@@H]2CO1 ZINC000873210864 646358508 /nfs/dbraw/zinc/35/85/08/646358508.db2.gz QUQDHVDEPASRJL-ZUXSNHBTSA-N 2 2 251.330 0.169 20 0 CCADLP O=C1N[C@H]2CC[N@@H+](CC34CC(C3)C[NH2+]4)C[C@@H]2CO1 ZINC000873210864 646358512 /nfs/dbraw/zinc/35/85/12/646358512.db2.gz QUQDHVDEPASRJL-ZUXSNHBTSA-N 2 2 251.330 0.169 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](CC2(C[NH3+])CC2)C[C@@H]1C(F)(F)F ZINC000873229097 646363481 /nfs/dbraw/zinc/36/34/81/646363481.db2.gz XACVEKWCTJPVJE-IUCAKERBSA-N 3 2 251.296 0.794 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](CC2(C[NH3+])CC2)C[C@@H]1C(F)(F)F ZINC000873229097 646363485 /nfs/dbraw/zinc/36/34/85/646363485.db2.gz XACVEKWCTJPVJE-IUCAKERBSA-N 3 2 251.296 0.794 20 0 CCADLP [NH3+]C[C@@H]1[C@H](C(=O)NCCc2cn3c([nH+]2)CCCC3)C1(F)F ZINC000876727474 646650710 /nfs/dbraw/zinc/65/07/10/646650710.db2.gz LKQQJQWIJDJDMC-ZYHUDNBSSA-N 2 2 298.337 0.718 20 0 CCADLP O=C(NCCCCn1cc[nH+]c1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876731929 646653678 /nfs/dbraw/zinc/65/36/78/646653678.db2.gz ONBNKDMBLMRLLO-RYUDHWBXSA-N 2 2 268.336 0.727 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)CCO1 ZINC000876745385 646655849 /nfs/dbraw/zinc/65/58/49/646655849.db2.gz DAMZGLBGJBBZAX-IJLUTSLNSA-N 2 2 269.389 0.197 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)CCO1 ZINC000876745385 646655851 /nfs/dbraw/zinc/65/58/51/646655851.db2.gz DAMZGLBGJBBZAX-IJLUTSLNSA-N 2 2 269.389 0.197 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)/C=C/[C@H]2CCC[NH2+]C2)CCO1 ZINC000876745690 646656012 /nfs/dbraw/zinc/65/60/12/646656012.db2.gz GBWNTQVRKJQWBZ-KOABKASLSA-N 2 2 281.400 0.379 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)/C=C/[C@H]2CCC[NH2+]C2)CCO1 ZINC000876745690 646656013 /nfs/dbraw/zinc/65/60/13/646656013.db2.gz GBWNTQVRKJQWBZ-KOABKASLSA-N 2 2 281.400 0.379 20 0 CCADLP C[C@@H](CCCC[NH3+])NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000876855656 646682998 /nfs/dbraw/zinc/68/29/98/646682998.db2.gz YNPASVNYOMYPOM-BPJJOFIESA-N 2 2 269.389 0.509 20 0 CCADLP [NH3+]CCCCCCNC(=O)/C=C\C[NH+]1CCOCC1 ZINC000876938031 646701124 /nfs/dbraw/zinc/70/11/24/646701124.db2.gz NBWUDBOGDZVIIS-WAYWQWQTSA-N 2 2 269.389 0.510 20 0 CCADLP O=C(/C=C/C[NH+]1CCOCC1)NCCC1CC[NH2+]CC1 ZINC000876951435 646704449 /nfs/dbraw/zinc/70/44/49/646704449.db2.gz MPFUXRAGZPLTHO-OWOJBTEDSA-N 2 2 281.400 0.381 20 0 CCADLP C[C@H]([NH3+])CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000877106222 646733958 /nfs/dbraw/zinc/73/39/58/646733958.db2.gz WFPFLEOORKBFRW-JTQLQIEISA-N 2 2 250.346 0.568 20 0 CCADLP C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC[NH2+]CC1 ZINC000877254131 646769997 /nfs/dbraw/zinc/76/99/97/646769997.db2.gz OMGFVKCSAUEJSW-WCQYABFASA-N 2 2 276.384 0.950 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877354933 646801941 /nfs/dbraw/zinc/80/19/41/646801941.db2.gz JOHYRZBPKUPQQS-IUCAKERBSA-N 2 2 290.289 0.856 20 0 CCADLP C[C@H](CC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)n1cc[nH+]c1 ZINC000877372330 646804367 /nfs/dbraw/zinc/80/43/67/646804367.db2.gz CFEQNBABWOZEEA-MBNYWOFBSA-N 2 2 262.357 0.902 20 0 CCADLP CC[C@H](C)[C@H](C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)OC ZINC000877651742 646831403 /nfs/dbraw/zinc/83/14/03/646831403.db2.gz KDEBDULZDCDCAD-IHRRRGAJSA-N 2 2 285.432 0.977 20 0 CCADLP CC[C@H](C)[C@H](C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)OC ZINC000877651742 646831405 /nfs/dbraw/zinc/83/14/05/646831405.db2.gz KDEBDULZDCDCAD-IHRRRGAJSA-N 2 2 285.432 0.977 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(c2nnnn2C)CC1 ZINC000879916103 647127348 /nfs/dbraw/zinc/12/73/48/647127348.db2.gz ICQOXXSKJLNAEU-ZDUSSCGKSA-N 2 2 296.419 0.091 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2nnnn2C)CC1 ZINC000879916103 647127352 /nfs/dbraw/zinc/12/73/52/647127352.db2.gz ICQOXXSKJLNAEU-ZDUSSCGKSA-N 2 2 296.419 0.091 20 0 CCADLP C[C@H](CO)C[N@@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880203231 647168888 /nfs/dbraw/zinc/16/88/88/647168888.db2.gz HMWHBJDTTIRCHM-JSGCOSHPSA-N 2 2 256.390 0.848 20 0 CCADLP C[C@H](CO)C[N@H+]1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880203231 647168890 /nfs/dbraw/zinc/16/88/90/647168890.db2.gz HMWHBJDTTIRCHM-JSGCOSHPSA-N 2 2 256.390 0.848 20 0 CCADLP C[C@H](CCO)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883370363 647518617 /nfs/dbraw/zinc/51/86/17/647518617.db2.gz KKOUFNBUXYVPQW-CABCVRRESA-N 2 2 285.432 0.144 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887130420 648071817 /nfs/dbraw/zinc/07/18/17/648071817.db2.gz CZMNJLVQDCRNKY-WDEREUQCSA-N 2 2 291.355 0.176 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887130420 648071823 /nfs/dbraw/zinc/07/18/23/648071823.db2.gz CZMNJLVQDCRNKY-WDEREUQCSA-N 2 2 291.355 0.176 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000887280993 648086527 /nfs/dbraw/zinc/08/65/27/648086527.db2.gz NECXYTOFUVYRCD-GHMZBOCLSA-N 2 2 251.334 0.404 20 0 CCADLP C[C@@H]1C[N@@H+]([C@H]2CC(=O)NC2=O)CCN1c1cc[nH+]cc1 ZINC000887301377 648089007 /nfs/dbraw/zinc/08/90/07/648089007.db2.gz WSROAMOXVNNRMF-PWSUYJOCSA-N 2 2 274.324 0.007 20 0 CCADLP C[C@@H]1C[N@H+]([C@H]2CC(=O)NC2=O)CCN1c1cc[nH+]cc1 ZINC000887301377 648089012 /nfs/dbraw/zinc/08/90/12/648089012.db2.gz WSROAMOXVNNRMF-PWSUYJOCSA-N 2 2 274.324 0.007 20 0 CCADLP C[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCCC2)N1CC[NH+](C)CC1 ZINC000925497065 648339155 /nfs/dbraw/zinc/33/91/55/648339155.db2.gz TVYHHNOKDLYQGU-LSDHHAIUSA-N 3 2 280.460 0.887 20 0 CCADLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CNCCOC1 ZINC000925598283 648445774 /nfs/dbraw/zinc/44/57/74/648445774.db2.gz RCEKRKVGWFYUFM-WCQYABFASA-N 2 2 252.362 0.406 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2cnns2)CC1 ZINC000926097571 648486551 /nfs/dbraw/zinc/48/65/51/648486551.db2.gz HVUCXEBKLKSOAG-UHFFFAOYSA-N 2 2 270.362 0.083 20 0 CCADLP OCCOCCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926123321 648487902 /nfs/dbraw/zinc/48/79/02/648487902.db2.gz VNAGOPBCZBRTHA-ZIAGYGMSSA-N 2 2 256.390 0.992 20 0 CCADLP OCCOCCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926123321 648487906 /nfs/dbraw/zinc/48/79/06/648487906.db2.gz VNAGOPBCZBRTHA-ZIAGYGMSSA-N 2 2 256.390 0.992 20 0 CCADLP C[C@@H]([NH2+][C@@H](C)C[NH+](C)C)C1CCN(S(C)(=O)=O)CC1 ZINC000926422177 648502649 /nfs/dbraw/zinc/50/26/49/648502649.db2.gz CWELBQYJBHWPSD-NWDGAFQWSA-N 2 2 291.461 0.586 20 0 CCADLP C[C@@H](CC(N)=O)[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927109536 648545362 /nfs/dbraw/zinc/54/53/62/648545362.db2.gz PPESMAGXMBIQGJ-CMPLNLGQSA-N 2 2 255.362 0.093 20 0 CCADLP C[C@@H](CC(N)=O)[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927109536 648545364 /nfs/dbraw/zinc/54/53/64/648545364.db2.gz PPESMAGXMBIQGJ-CMPLNLGQSA-N 2 2 255.362 0.093 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1[C@H](C)C(=O)N[C@@H](C)[C@H]1C ZINC000930839361 648914971 /nfs/dbraw/zinc/91/49/71/648914971.db2.gz WQYYAOBYXSYARU-HBNTYKKESA-N 2 2 250.346 0.789 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1[C@H](C)C(=O)N[C@@H](C)[C@H]1C ZINC000930839361 648914974 /nfs/dbraw/zinc/91/49/74/648914974.db2.gz WQYYAOBYXSYARU-HBNTYKKESA-N 2 2 250.346 0.789 20 0 CCADLP c1cn(CCC[N@@H+]2CCO[C@@H]3COCC[C@@H]32)c[nH+]1 ZINC000933965640 649150596 /nfs/dbraw/zinc/15/05/96/649150596.db2.gz AKSBDKHAUHDNFX-QWHCGFSZSA-N 2 2 251.330 0.763 20 0 CCADLP c1cn(CCC[N@H+]2CCO[C@@H]3COCC[C@@H]32)c[nH+]1 ZINC000933965640 649150600 /nfs/dbraw/zinc/15/06/00/649150600.db2.gz AKSBDKHAUHDNFX-QWHCGFSZSA-N 2 2 251.330 0.763 20 0 CCADLP O=C([C@H]1CCC[C@H]2CCC[N@@H+]21)N1CC[NH+](CCO)CC1 ZINC000951627897 649552406 /nfs/dbraw/zinc/55/24/06/649552406.db2.gz BHWJSVGRESRAMZ-UONOGXRCSA-N 2 2 281.400 0.140 20 0 CCADLP O=C([C@H]1CCC[C@H]2CCC[N@H+]21)N1CC[NH+](CCO)CC1 ZINC000951627897 649552410 /nfs/dbraw/zinc/55/24/10/649552410.db2.gz BHWJSVGRESRAMZ-UONOGXRCSA-N 2 2 281.400 0.140 20 0 CCADLP CCOC[C@H](O)C[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000250465174 649768786 /nfs/dbraw/zinc/76/87/86/649768786.db2.gz BCJZYGIHBSEJPN-RDBSUJKOSA-N 2 2 256.390 0.990 20 0 CCADLP CCOC[C@H](O)C[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000250465174 649768793 /nfs/dbraw/zinc/76/87/93/649768793.db2.gz BCJZYGIHBSEJPN-RDBSUJKOSA-N 2 2 256.390 0.990 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000957900404 649769138 /nfs/dbraw/zinc/76/91/38/649769138.db2.gz VOPAUJAZUQIZDS-CQSZACIVSA-N 2 2 292.383 0.596 20 0 CCADLP COC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001230352598 805597603 /nfs/dbraw/zinc/59/76/03/805597603.db2.gz HLHIKVFXOLOQFD-BFHYXJOUSA-N 2 2 294.399 0.935 20 0 CCADLP Cn1c[nH+]cc1CN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039005620 790326867 /nfs/dbraw/zinc/32/68/67/790326867.db2.gz HDYDPWGSAHZFNN-CHWSQXEVSA-N 2 2 291.399 0.062 20 0 CCADLP Cn1c[nH+]cc1CN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001039005620 790326861 /nfs/dbraw/zinc/32/68/61/790326861.db2.gz HDYDPWGSAHZFNN-CHWSQXEVSA-N 2 2 291.399 0.062 20 0 CCADLP C[NH+](C)CCCN1CC[NH+](C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC001208613697 790432264 /nfs/dbraw/zinc/43/22/64/790432264.db2.gz YIRXURYFSYAMMA-MRXNPFEDSA-N 3 2 282.476 0.898 20 0 CCADLP C[NH+](C)CCCN1CC[NH+](C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001208613697 790432268 /nfs/dbraw/zinc/43/22/68/790432268.db2.gz YIRXURYFSYAMMA-MRXNPFEDSA-N 3 2 282.476 0.898 20 0 CCADLP C[C@@H](O)CCC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001209835493 790694513 /nfs/dbraw/zinc/69/45/13/790694513.db2.gz CENRALRRHXSUKL-CHWSQXEVSA-N 2 2 294.399 0.694 20 0 CCADLP CCOCCC[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001266551434 790916332 /nfs/dbraw/zinc/91/63/32/790916332.db2.gz RIMWKHQJUDAECE-AWEZNQCLSA-N 2 2 294.399 0.748 20 0 CCADLP CCOCCC[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001266551434 790916340 /nfs/dbraw/zinc/91/63/40/790916340.db2.gz RIMWKHQJUDAECE-AWEZNQCLSA-N 2 2 294.399 0.748 20 0 CCADLP Cc1ncoc1C[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167346899 790937193 /nfs/dbraw/zinc/93/71/93/790937193.db2.gz ULNKXNIDAVUZNH-UHFFFAOYSA-N 2 2 277.328 0.545 20 0 CCADLP COC(C)(C)C[NH+]1CC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001277584622 805867076 /nfs/dbraw/zinc/86/70/76/805867076.db2.gz MCOIKNNPXNBDDR-UHFFFAOYSA-N 2 2 278.400 0.926 20 0 CCADLP COC(=O)CN1CC[NH+](Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232014601 805882625 /nfs/dbraw/zinc/88/26/25/805882625.db2.gz SDJJTXNKROIVHE-UHFFFAOYSA-N 2 2 288.351 0.854 20 0 CCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2C1CC[NH+](C)CC1 ZINC001277627144 805907522 /nfs/dbraw/zinc/90/75/22/805907522.db2.gz NXULZMRMOFMJQN-GASCZTMLSA-N 3 2 266.433 0.401 20 0 CCADLP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2C1CC[NH+](C)CC1 ZINC001277627144 805907525 /nfs/dbraw/zinc/90/75/25/805907525.db2.gz NXULZMRMOFMJQN-GASCZTMLSA-N 3 2 266.433 0.401 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]CCCO)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001277765102 806024315 /nfs/dbraw/zinc/02/43/15/806024315.db2.gz ZOKXTALYHYRPHR-NEPJUHHUSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]C[C@H]1CCOC1 ZINC001266995365 791429133 /nfs/dbraw/zinc/42/91/33/791429133.db2.gz GUGUEUYQALKREA-NWDGAFQWSA-N 2 2 266.345 0.014 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001267027171 791460445 /nfs/dbraw/zinc/46/04/45/791460445.db2.gz WGNZECHPTZRSLA-RYUDHWBXSA-N 2 2 266.345 0.109 20 0 CCADLP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[C@@H](C[NH2+]CCF)C1 ZINC001267048156 791479688 /nfs/dbraw/zinc/47/96/88/791479688.db2.gz TWVHEZXTMUEOKF-STQMWFEESA-N 2 2 294.374 0.853 20 0 CCADLP CCOCC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CCn1cc[nH+]c1 ZINC001277859215 806259088 /nfs/dbraw/zinc/25/90/88/806259088.db2.gz WTQAJLACDXVYIT-CABCVRRESA-N 2 2 294.399 0.305 20 0 CCADLP c1c(C[N@@H+]2CCO[C@@H]3C[NH2+]C[C@@H]3C2)sc2c1CC[NH2+]C2 ZINC001234971653 806322293 /nfs/dbraw/zinc/32/22/93/806322293.db2.gz RBLPUTCOLAEAKG-TZMCWYRMSA-N 3 2 293.436 0.814 20 0 CCADLP c1c(C[N@H+]2CCO[C@@H]3C[NH2+]C[C@@H]3C2)sc2c1CC[NH2+]C2 ZINC001234971653 806322303 /nfs/dbraw/zinc/32/23/03/806322303.db2.gz RBLPUTCOLAEAKG-TZMCWYRMSA-N 3 2 293.436 0.814 20 0 CCADLP C[C@@H](C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1)C(F)(F)F ZINC001235052262 806353581 /nfs/dbraw/zinc/35/35/81/806353581.db2.gz NMPHMCOZXZQZIY-VHSXEESVSA-N 2 2 251.296 0.822 20 0 CCADLP C[C@@H](C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1)C(F)(F)F ZINC001235052262 806353590 /nfs/dbraw/zinc/35/35/90/806353590.db2.gz NMPHMCOZXZQZIY-VHSXEESVSA-N 2 2 251.296 0.822 20 0 CCADLP CCCCc1[nH]c(CN2CCN[C@@]3(CC[NH2+]C3)C2)c[nH+]1 ZINC001235060594 806361081 /nfs/dbraw/zinc/36/10/81/806361081.db2.gz GZDXOGMYRIJGKB-OAHLLOKOSA-N 2 2 277.416 0.890 20 0 CCADLP CCCCc1[nH]cc(CN2CCN[C@@]3(CC[NH2+]C3)C2)[nH+]1 ZINC001235060594 806361088 /nfs/dbraw/zinc/36/10/88/806361088.db2.gz GZDXOGMYRIJGKB-OAHLLOKOSA-N 2 2 277.416 0.890 20 0 CCADLP c1cn2cc(CN3CCN[C@]4(CC[NH2+]C4)C3)ccc2[nH+]1 ZINC001235061246 806361782 /nfs/dbraw/zinc/36/17/82/806361782.db2.gz IYLCUPROPSVSFH-HNNXBMFYSA-N 2 2 271.368 0.472 20 0 CCADLP Cc1c(O)cccc1C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235062573 806364257 /nfs/dbraw/zinc/36/42/57/806364257.db2.gz NCVNDXUOMBXDDG-HNNXBMFYSA-N 2 2 261.369 0.838 20 0 CCADLP Cc1c(O)cccc1C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235062573 806364264 /nfs/dbraw/zinc/36/42/64/806364264.db2.gz NCVNDXUOMBXDDG-HNNXBMFYSA-N 2 2 261.369 0.838 20 0 CCADLP c1[nH]c2cccnc2c1C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235065207 806367009 /nfs/dbraw/zinc/36/70/09/806367009.db2.gz VHSYFBFFKSWPSB-HNNXBMFYSA-N 2 2 271.368 0.700 20 0 CCADLP c1[nH]c2cccnc2c1C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235065207 806367018 /nfs/dbraw/zinc/36/70/18/806367018.db2.gz VHSYFBFFKSWPSB-HNNXBMFYSA-N 2 2 271.368 0.700 20 0 CCADLP c1cc2ccc(C[N@@H+]3CCN[C@@]4(CC[NH2+]C4)C3)nc2[nH]1 ZINC001235065641 806368613 /nfs/dbraw/zinc/36/86/13/806368613.db2.gz YAKSSULLQFXYSI-OAHLLOKOSA-N 2 2 271.368 0.700 20 0 CCADLP c1cc2ccc(C[N@H+]3CCN[C@@]4(CC[NH2+]C4)C3)nc2[nH]1 ZINC001235065641 806368621 /nfs/dbraw/zinc/36/86/21/806368621.db2.gz YAKSSULLQFXYSI-OAHLLOKOSA-N 2 2 271.368 0.700 20 0 CCADLP c1ccc(N2CC[NH2+]CC2)c(C[N@@H+]2C[C@H]3C[NH2+]CC[C@H]32)c1 ZINC001235261670 806396823 /nfs/dbraw/zinc/39/68/23/806396823.db2.gz PKSUIKPOJVGFPL-NVXWUHKLSA-N 3 2 286.423 0.890 20 0 CCADLP c1ccc(N2CC[NH2+]CC2)c(C[N@H+]2C[C@H]3C[NH2+]CC[C@H]32)c1 ZINC001235261670 806396832 /nfs/dbraw/zinc/39/68/32/806396832.db2.gz PKSUIKPOJVGFPL-NVXWUHKLSA-N 3 2 286.423 0.890 20 0 CCADLP CCOC(=O)C1CC[NH+](C2CC[NH+](CCO)CC2)CC1 ZINC001235334289 806408970 /nfs/dbraw/zinc/40/89/70/806408970.db2.gz BSRYKKPSHCNDPN-UHFFFAOYSA-N 2 2 284.400 0.718 20 0 CCADLP CCOC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](CCO)CC2)C1 ZINC001235343114 806410665 /nfs/dbraw/zinc/41/06/65/806410665.db2.gz SHKBJIUATGASQS-CYBMUJFWSA-N 2 2 284.400 0.718 20 0 CCADLP CCOC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](CCO)CC2)C1 ZINC001235343114 806410668 /nfs/dbraw/zinc/41/06/68/806410668.db2.gz SHKBJIUATGASQS-CYBMUJFWSA-N 2 2 284.400 0.718 20 0 CCADLP CC1(C)[NH2+]C[C@@H](C[NH+]2CCC3(CC2)OCCO3)O1 ZINC001235418651 806420364 /nfs/dbraw/zinc/42/03/64/806420364.db2.gz XVNAXCRPAMJWAO-NSHDSACASA-N 2 2 256.346 0.550 20 0 CCADLP CC(=O)N1CCO[C@@H]2CC[N@@H+](C[C@H](C)[NH3+])CC[C@H]21 ZINC001235485592 806431393 /nfs/dbraw/zinc/43/13/93/806431393.db2.gz KDSXNSLOUUAJBY-CYZMBNFOSA-N 2 2 255.362 0.045 20 0 CCADLP CC(=O)N1CCO[C@@H]2CC[N@H+](C[C@H](C)[NH3+])CC[C@H]21 ZINC001235485592 806431399 /nfs/dbraw/zinc/43/13/99/806431399.db2.gz KDSXNSLOUUAJBY-CYZMBNFOSA-N 2 2 255.362 0.045 20 0 CCADLP CCN1C[C@H]2CC[N@H+](C[C@@H](C)[NH3+])CC[C@H]2S1(=O)=O ZINC001235541542 806450636 /nfs/dbraw/zinc/45/06/36/806450636.db2.gz MRLMDUZNHDOJNH-IJLUTSLNSA-N 2 2 275.418 0.080 20 0 CCADLP [NH3+]CC[N@@H+]1CC[C@H]2OCC[C@@H](C(=O)NC3CCC3)[C@H]2C1 ZINC001235540077 806449328 /nfs/dbraw/zinc/44/93/28/806449328.db2.gz COJLFNCYKVJSOE-MGPQQGTHSA-N 2 2 281.400 0.341 20 0 CCADLP [NH3+]CC[N@H+]1CC[C@H]2OCC[C@@H](C(=O)NC3CCC3)[C@H]2C1 ZINC001235540077 806449334 /nfs/dbraw/zinc/44/93/34/806449334.db2.gz COJLFNCYKVJSOE-MGPQQGTHSA-N 2 2 281.400 0.341 20 0 CCADLP [NH3+]CCN1Cc2c[nH+]cn2C[C@@H](COc2cccnc2)C1 ZINC001235539152 806449805 /nfs/dbraw/zinc/44/98/05/806449805.db2.gz TZEWIBXQSGXFTO-ZDUSSCGKSA-N 2 2 287.367 0.748 20 0 CCADLP CCN1C[C@H]2CC[N@@H+](C[C@@H](C)[NH3+])CC[C@H]2S1(=O)=O ZINC001235541542 806450641 /nfs/dbraw/zinc/45/06/41/806450641.db2.gz MRLMDUZNHDOJNH-IJLUTSLNSA-N 2 2 275.418 0.080 20 0 CCADLP C[C@H]([NH3+])C[NH+]1CCC2(CC1)CN(CC1CC1)C(=O)CO2 ZINC001235588791 806464898 /nfs/dbraw/zinc/46/48/98/806464898.db2.gz WXJVNBBQENMHFI-LBPRGKRZSA-N 2 2 281.400 0.437 20 0 CCADLP CN(C)C(=O)[C@@H]1CC12CC[NH+](C[C@@H]1C[NH2+]C(C)(C)O1)CC2 ZINC001235596329 806468955 /nfs/dbraw/zinc/46/89/55/806468955.db2.gz IOQIEPNSVCDLFA-STQMWFEESA-N 2 2 295.427 0.901 20 0 CCADLP C[C@@H]([NH3+])C[NH+]1CCC2(C[C@@H]2C(=O)N2CCOCC2)CC1 ZINC001235624305 806474589 /nfs/dbraw/zinc/47/45/89/806474589.db2.gz JTHJPCCKPVYRJS-CHWSQXEVSA-N 2 2 281.400 0.295 20 0 CCADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@]2(CCN(c3cnn(C)c3)C2=O)C1 ZINC001235644813 806480413 /nfs/dbraw/zinc/48/04/13/806480413.db2.gz RLEFUBFNWRJUPI-SWLSCSKDSA-N 2 2 291.399 0.586 20 0 CCADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@]2(CCN(c3cnn(C)c3)C2=O)C1 ZINC001235644813 806480418 /nfs/dbraw/zinc/48/04/18/806480418.db2.gz RLEFUBFNWRJUPI-SWLSCSKDSA-N 2 2 291.399 0.586 20 0 CCADLP C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235979973 806522826 /nfs/dbraw/zinc/52/28/26/806522826.db2.gz PCUYAMWKKJEGCC-USBNGQNGSA-N 2 2 289.379 0.529 20 0 CCADLP C[C@@H]1NC=C2C(=O)OCCC2=C1C[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235979973 806522835 /nfs/dbraw/zinc/52/28/35/806522835.db2.gz PCUYAMWKKJEGCC-USBNGQNGSA-N 2 2 289.379 0.529 20 0 CCADLP COc1cc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cc(F)c1O ZINC001235991993 806524114 /nfs/dbraw/zinc/52/41/14/806524114.db2.gz IRCRZVKMFKGUOC-BVUQATHDSA-N 2 2 296.342 0.945 20 0 CCADLP COc1cc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cc(F)c1O ZINC001235991993 806524118 /nfs/dbraw/zinc/52/41/18/806524118.db2.gz IRCRZVKMFKGUOC-BVUQATHDSA-N 2 2 296.342 0.945 20 0 CCADLP COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C2 ZINC001236043051 806534370 /nfs/dbraw/zinc/53/43/70/806534370.db2.gz VOYMGLWNRVITQE-CYDGBPFRSA-N 2 2 282.384 0.984 20 0 CCADLP COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C[C@@H]1C[NH2+]C(C)(C)O1)C2 ZINC001236043051 806534372 /nfs/dbraw/zinc/53/43/72/806534372.db2.gz VOYMGLWNRVITQE-CYDGBPFRSA-N 2 2 282.384 0.984 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cc(OC)cc[nH+]1 ZINC001236200828 806553510 /nfs/dbraw/zinc/55/35/10/806553510.db2.gz KLUHTEVIBKYMGP-SKDRFNHKSA-N 2 2 265.313 0.165 20 0 CCADLP CCOC(=O)[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H](C)C[NH2+]2)CCN1 ZINC001246103235 807154092 /nfs/dbraw/zinc/15/40/92/807154092.db2.gz GUSSJGNVLMLPPY-SYQHCUMBSA-N 2 2 283.416 0.648 20 0 CCADLP CC[C@H](CCC(=O)OC)C[N@@H+]1C[C@@H]([NH3+])[C@@H](C(=O)OC)C1 ZINC001236344592 806574352 /nfs/dbraw/zinc/57/43/52/806574352.db2.gz RNTXXJJRPVVUDY-GRYCIOLGSA-N 2 2 286.372 0.398 20 0 CCADLP CC[C@H](CCC(=O)OC)C[N@H+]1C[C@@H]([NH3+])[C@@H](C(=O)OC)C1 ZINC001236344592 806574355 /nfs/dbraw/zinc/57/43/55/806574355.db2.gz RNTXXJJRPVVUDY-GRYCIOLGSA-N 2 2 286.372 0.398 20 0 CCADLP CNC(=O)C[NH+]1CCC2(CCCN(CC[NH+](C)C)C2)CC1 ZINC001278012709 806611153 /nfs/dbraw/zinc/61/11/53/806611153.db2.gz GDVKFXVULULGIT-UHFFFAOYSA-N 2 2 296.459 0.472 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1NC(=O)NCCCCn1cc[nH+]c1 ZINC001120577144 798873377 /nfs/dbraw/zinc/87/33/77/798873377.db2.gz RZUONPXVDBJZEV-VXGBXAGGSA-N 2 2 265.361 0.570 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC001122021289 799124494 /nfs/dbraw/zinc/12/44/94/799124494.db2.gz MUYFFWNSWNDGDE-GFCCVEGCSA-N 2 2 262.357 0.800 20 0 CCADLP COCC[NH2+]CC(=O)N1CCC(Nc2cccc[nH+]2)CC1 ZINC001122224020 799173437 /nfs/dbraw/zinc/17/34/37/799173437.db2.gz AXJCBUKIZXMZAJ-UHFFFAOYSA-N 2 2 292.383 0.721 20 0 CCADLP CC1=C(C(=O)NCC[NH+]2CCC([NH3+])CC2)CCCO1 ZINC001122238560 799176997 /nfs/dbraw/zinc/17/69/97/799176997.db2.gz GMJYZXVKDQNGRR-UHFFFAOYSA-N 2 2 267.373 0.610 20 0 CCADLP [NH3+][C@@H]1CC[C@H](CNC(=O)/C=C/C[NH+]2CCOCC2)C1 ZINC001122242171 799177812 /nfs/dbraw/zinc/17/78/12/799177812.db2.gz YGPCJIMJPDFGCN-RPNDHJKISA-N 2 2 267.373 0.118 20 0 CCADLP [NH3+]CC[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001122294827 799190146 /nfs/dbraw/zinc/19/01/46/799190146.db2.gz YOLZYQNBFZQNNW-NEPJUHHUSA-N 2 2 262.357 0.643 20 0 CCADLP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH3+])C1)[N@@H+]1CCO[C@@H](CC)C1 ZINC001122581621 799268330 /nfs/dbraw/zinc/26/83/30/799268330.db2.gz XPXHPAXFPCFAMI-RNJOBUHISA-N 2 2 269.389 0.482 20 0 CCADLP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH3+])C1)[N@H+]1CCO[C@@H](CC)C1 ZINC001122581621 799268333 /nfs/dbraw/zinc/26/83/33/799268333.db2.gz XPXHPAXFPCFAMI-RNJOBUHISA-N 2 2 269.389 0.482 20 0 CCADLP CC[NH2+]CC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001122602955 799272983 /nfs/dbraw/zinc/27/29/83/799272983.db2.gz ZXUJGVCKGHYPIC-UHFFFAOYSA-N 2 2 250.346 0.736 20 0 CCADLP C[C@H](C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12)n1cc[nH+]c1 ZINC001124108494 799560608 /nfs/dbraw/zinc/56/06/08/799560608.db2.gz BFHVJWLQYHXSOA-FDYHWXHSSA-N 2 2 262.357 0.901 20 0 CCADLP C[C@H](C(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12)n1cc[nH+]c1 ZINC001124108494 799560612 /nfs/dbraw/zinc/56/06/12/799560612.db2.gz BFHVJWLQYHXSOA-FDYHWXHSSA-N 2 2 262.357 0.901 20 0 CCADLP Cn1cc(Cl)c(C[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001124877965 799641082 /nfs/dbraw/zinc/64/10/82/799641082.db2.gz JCQBADQPTWYXID-LBPRGKRZSA-N 2 2 299.806 0.374 20 0 CCADLP Cn1cc(Cl)c(C[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001124877965 799641088 /nfs/dbraw/zinc/64/10/88/799641088.db2.gz JCQBADQPTWYXID-LBPRGKRZSA-N 2 2 299.806 0.374 20 0 CCADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@H](CO)C3)s2)CC1 ZINC001139324501 799804160 /nfs/dbraw/zinc/80/41/60/799804160.db2.gz CWNJQUSPHMNHTG-LBPRGKRZSA-N 2 2 296.440 0.709 20 0 CCADLP COC(=O)[C@H]1C[N@H+](Cc2c[nH]c3cc[nH+]cc23)CCN1C ZINC001140804735 799942286 /nfs/dbraw/zinc/94/22/86/799942286.db2.gz CALNHGBMNRVYGK-CQSZACIVSA-N 2 2 288.351 0.852 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CCN1C ZINC001140804735 799942291 /nfs/dbraw/zinc/94/22/91/799942291.db2.gz CALNHGBMNRVYGK-CQSZACIVSA-N 2 2 288.351 0.852 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](Cc2cn[nH]c2)CCC1=O ZINC001203096947 799983264 /nfs/dbraw/zinc/98/32/64/799983264.db2.gz QENWFCKGTWEUIM-UHFFFAOYSA-N 2 2 265.361 0.006 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](Cc2cn[nH]c2)CCC1=O ZINC001203096947 799983267 /nfs/dbraw/zinc/98/32/67/799983267.db2.gz QENWFCKGTWEUIM-UHFFFAOYSA-N 2 2 265.361 0.006 20 0 CCADLP Cc1ccc(CN2CCOC[C@H]2C[NH+](C)C)c(N)[nH+]1 ZINC001143208034 800206688 /nfs/dbraw/zinc/20/66/88/800206688.db2.gz PJOHUMDULFFMOL-CYBMUJFWSA-N 2 2 264.373 0.735 20 0 CCADLP Cc1ccc(S(=O)(=O)NCC[NH2+]CC[NH3+])cc1Cl ZINC001238839690 806813241 /nfs/dbraw/zinc/81/32/41/806813241.db2.gz VGMWTBBQDXAXJY-UHFFFAOYSA-N 2 2 291.804 0.475 20 0 CCADLP C[NH+]1CCC(C(=O)NCC2([NH+]3CCCC3)COC2)CC1 ZINC001143316621 800230024 /nfs/dbraw/zinc/23/00/24/800230024.db2.gz XANORSYSCNDLML-UHFFFAOYSA-N 2 2 281.400 0.309 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[NH2+]C/C=C\Cl ZINC001149571193 800278064 /nfs/dbraw/zinc/27/80/64/800278064.db2.gz SSODXEMCEFQZON-DJWKRKHSSA-N 2 2 270.764 0.811 20 0 CCADLP Cc1cnc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2C)o1 ZINC001151147410 800404704 /nfs/dbraw/zinc/40/47/04/800404704.db2.gz MKMVDRIJGLKELK-UHFFFAOYSA-N 2 2 277.328 0.394 20 0 CCADLP C[C@@H](c1ccccc1)[NH+]1CCN(S(=O)(=O)CC[NH3+])CC1 ZINC001239093058 806847174 /nfs/dbraw/zinc/84/71/74/806847174.db2.gz ILVDJTFTXDGZAO-ZDUSSCGKSA-N 2 2 297.424 0.654 20 0 CCADLP C[C@@H](O)CCC[NH2+]CCNC(=O)CCCn1cc[nH+]c1 ZINC001153345530 800624450 /nfs/dbraw/zinc/62/44/50/800624450.db2.gz ZDDQPJLKWFPOBU-CYBMUJFWSA-N 2 2 282.388 0.530 20 0 CCADLP O=S(=O)(CC1CC[NH2+]CC1)N1CCn2c[nH+]cc2C1 ZINC001239099719 806848522 /nfs/dbraw/zinc/84/85/22/806848522.db2.gz WMMCBVHCEVONGB-UHFFFAOYSA-N 2 2 284.385 0.028 20 0 CCADLP Cc1cnc([C@H](C)[NH2+]CCNC(=O)Cn2cc[nH+]c2)cn1 ZINC001153495585 800635816 /nfs/dbraw/zinc/63/58/16/800635816.db2.gz KOJOXANKJDMEDJ-LBPRGKRZSA-N 2 2 288.355 0.449 20 0 CCADLP CC[N@H+](CCO)[C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001154066653 800717206 /nfs/dbraw/zinc/71/72/06/800717206.db2.gz TYJNCPKYYSXJPB-CHWSQXEVSA-N 2 2 294.399 0.264 20 0 CCADLP CC[N@@H+](CCO)[C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001154066653 800717208 /nfs/dbraw/zinc/71/72/08/800717208.db2.gz TYJNCPKYYSXJPB-CHWSQXEVSA-N 2 2 294.399 0.264 20 0 CCADLP C[N@@H+]1CCO[C@@H](CNc2ccc(N3CC[NH2+]CC3)cn2)C1 ZINC001155196974 800928848 /nfs/dbraw/zinc/92/88/48/800928848.db2.gz HITUFGJQSMBKJR-AWEZNQCLSA-N 2 2 291.399 0.234 20 0 CCADLP C[N@H+]1CCO[C@@H](CNc2ccc(N3CC[NH2+]CC3)cn2)C1 ZINC001155196974 800928851 /nfs/dbraw/zinc/92/88/51/800928851.db2.gz HITUFGJQSMBKJR-AWEZNQCLSA-N 2 2 291.399 0.234 20 0 CCADLP Nc1cc(Cl)[nH+]c(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)c1 ZINC001155483693 800987644 /nfs/dbraw/zinc/98/76/44/800987644.db2.gz ZHQFIJRRVSEWSR-SZEHBUNVSA-N 2 2 268.748 0.964 20 0 CCADLP c1nc(N2CCOCC2)cc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)[nH+]1 ZINC001155583536 801016206 /nfs/dbraw/zinc/01/62/06/801016206.db2.gz LNPQFRVPNIAHOO-AGIUHOORSA-N 2 2 289.383 0.723 20 0 CCADLP c1nc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)cc(N2CCOCC2)[nH+]1 ZINC001155583536 801016212 /nfs/dbraw/zinc/01/62/12/801016212.db2.gz LNPQFRVPNIAHOO-AGIUHOORSA-N 2 2 289.383 0.723 20 0 CCADLP C[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001156591740 801192771 /nfs/dbraw/zinc/19/27/71/801192771.db2.gz YIUTYXWXOUPADI-LLVKDONJSA-N 2 2 250.346 0.730 20 0 CCADLP C[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001156591740 801192773 /nfs/dbraw/zinc/19/27/73/801192773.db2.gz YIUTYXWXOUPADI-LLVKDONJSA-N 2 2 250.346 0.730 20 0 CCADLP O=C(CC[NH2+][C@H]1CCC[NH2+]C1)NCc1ccco1 ZINC001246180356 807177577 /nfs/dbraw/zinc/17/75/77/807177577.db2.gz ISBRQFWZVXMPJM-NSHDSACASA-N 2 2 251.330 0.628 20 0 CCADLP CC[N@H+](CCF)[C@H](C)CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001157013173 801286635 /nfs/dbraw/zinc/28/66/35/801286635.db2.gz GHSVMRDGDLZEFH-CHWSQXEVSA-N 2 2 289.395 0.503 20 0 CCADLP CC[N@@H+](CCF)[C@H](C)CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001157013173 801286639 /nfs/dbraw/zinc/28/66/39/801286639.db2.gz GHSVMRDGDLZEFH-CHWSQXEVSA-N 2 2 289.395 0.503 20 0 CCADLP CC[NH+](CCF)[C@H](C)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001157013173 801286640 /nfs/dbraw/zinc/28/66/40/801286640.db2.gz GHSVMRDGDLZEFH-CHWSQXEVSA-N 2 2 289.395 0.503 20 0 CCADLP CC[NH+](CCF)[C@H](C)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001157013173 801286641 /nfs/dbraw/zinc/28/66/41/801286641.db2.gz GHSVMRDGDLZEFH-CHWSQXEVSA-N 2 2 289.395 0.503 20 0 CCADLP Cn1cc[nH+]c1CCNC(=O)[C@H]1CC[NH2+]C[C@@H]1F ZINC001157421257 801377108 /nfs/dbraw/zinc/37/71/08/801377108.db2.gz FSSXZLMFHBJGDJ-UWVGGRQHSA-N 2 2 254.309 0.026 20 0 CCADLP c1nc2c(c(NCC3([NH+]4CCCC4)COC3)n1)CC[NH2+]C2 ZINC001157649835 801445497 /nfs/dbraw/zinc/44/54/97/801445497.db2.gz FKYTXAIQKDZMGZ-UHFFFAOYSA-N 2 2 289.383 0.399 20 0 CCADLP C[C@@H]1c2ccccc2CCN1C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001157703081 801459387 /nfs/dbraw/zinc/45/93/87/801459387.db2.gz ICEYDVSHJURXSK-SWHYSGLUSA-N 2 2 259.353 0.679 20 0 CCADLP [NH3+]C[C@@]1(F)CCCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)CC1 ZINC001157774035 801480742 /nfs/dbraw/zinc/48/07/42/801480742.db2.gz PRYGYZKRHYRMRV-CQSZACIVSA-N 2 2 295.362 0.349 20 0 CCADLP C[C@@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])CCC1(F)F ZINC001157846067 801500896 /nfs/dbraw/zinc/50/08/96/801500896.db2.gz GGKYQYIOTZLMIV-UTLUCORTSA-N 2 2 261.316 0.427 20 0 CCADLP COc1cnc(Cl)nc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001157910522 801517385 /nfs/dbraw/zinc/51/73/85/801517385.db2.gz IZRRTNYQHSYMBX-UHFFFAOYSA-N 2 2 284.751 0.733 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ncc3c(n2)CCCN3)CC1 ZINC001157914903 801518683 /nfs/dbraw/zinc/51/86/83/801518683.db2.gz GRHPKLRYUMEEKD-UHFFFAOYSA-N 2 2 275.360 0.429 20 0 CCADLP Cn1cnc2c1ccnc2NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001157914642 801519117 /nfs/dbraw/zinc/51/91/17/801519117.db2.gz JQQIWAMCFMIZFZ-UHFFFAOYSA-N 2 2 273.344 0.562 20 0 CCADLP CSc1cncc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001157916272 801521129 /nfs/dbraw/zinc/52/11/29/801521129.db2.gz QQQOIGIRLOYXTH-UHFFFAOYSA-N 2 2 266.374 0.793 20 0 CCADLP Cc1cnc(NC(=[NH2+])N2CC[NH+](C)CC2)nc1C1C[NH2+]C1 ZINC001157920380 801523291 /nfs/dbraw/zinc/52/32/91/801523291.db2.gz OHZNWUAGOHFAIG-UHFFFAOYSA-N 3 2 289.387 0.066 20 0 CCADLP C[C@@]1(CF)CC(F)(F)CN1C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001157952629 801539480 /nfs/dbraw/zinc/53/94/80/801539480.db2.gz VTTNKTIXVXJYAJ-GUDRVLHUSA-N 2 2 291.317 0.532 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@]12CCC[NH2+]C2 ZINC001158160029 801578625 /nfs/dbraw/zinc/57/86/25/801578625.db2.gz CXLKFKUZSOZKAU-TZMCWYRMSA-N 3 2 277.372 0.024 20 0 CCADLP CC(=O)Nc1cccc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158203556 801591885 /nfs/dbraw/zinc/59/18/85/801591885.db2.gz FJGARWUHVIAPOW-SNVBAGLBSA-N 2 2 275.312 0.088 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncc2cc(F)ccc2n1 ZINC001158206213 801594632 /nfs/dbraw/zinc/59/46/32/801594632.db2.gz DEMDIDZCNGPHHW-LLVKDONJSA-N 2 2 287.298 0.817 20 0 CCADLP COc1ccc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)nn1 ZINC001158259819 801608927 /nfs/dbraw/zinc/60/89/27/801608927.db2.gz VURWFDVMEGIIOT-NSHDSACASA-N 2 2 277.372 0.487 20 0 CCADLP COc1ccc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)nn1 ZINC001158259819 801608929 /nfs/dbraw/zinc/60/89/29/801608929.db2.gz VURWFDVMEGIIOT-NSHDSACASA-N 2 2 277.372 0.487 20 0 CCADLP NC(=O)c1ccc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)nc1 ZINC001158258539 801609186 /nfs/dbraw/zinc/60/91/86/801609186.db2.gz BTCCJDFHALEENC-GFCCVEGCSA-N 2 2 289.383 0.182 20 0 CCADLP NC(=O)c1ccc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)nc1 ZINC001158258539 801609191 /nfs/dbraw/zinc/60/91/91/801609191.db2.gz BTCCJDFHALEENC-GFCCVEGCSA-N 2 2 289.383 0.182 20 0 CCADLP Cc1nnc(N2CCC([N@@H+]3CC[C@H]([NH3+])C3)CC2)nc1C ZINC001158270594 801610027 /nfs/dbraw/zinc/61/00/27/801610027.db2.gz WBMPDETUJNDVKN-LBPRGKRZSA-N 2 2 276.388 0.490 20 0 CCADLP Cc1nnc(N2CCC([N@H+]3CC[C@H]([NH3+])C3)CC2)nc1C ZINC001158270594 801610030 /nfs/dbraw/zinc/61/00/30/801610030.db2.gz WBMPDETUJNDVKN-LBPRGKRZSA-N 2 2 276.388 0.490 20 0 CCADLP CC(C)OCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1C ZINC001278308365 806926211 /nfs/dbraw/zinc/92/62/11/806926211.db2.gz NMBFWSPBYCFRGC-OLZOCXBDSA-N 2 2 294.399 0.956 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H]([NH3+])C2CCCCC2)CC1 ZINC001158604453 801671712 /nfs/dbraw/zinc/67/17/12/801671712.db2.gz MYMZKIQSWRBBKE-AWEZNQCLSA-N 2 2 283.416 0.685 20 0 CCADLP Cc1cc(N2C[C@@H]([NH3+])C3(COC3)C2)nc(C2CC2)[nH+]1 ZINC001158769058 801704714 /nfs/dbraw/zinc/70/47/14/801704714.db2.gz LRUDBCNXRKHLBG-LLVKDONJSA-N 2 2 260.341 0.826 20 0 CCADLP Cc1c[nH+]c2n1CCC21CCN(C(=O)[C@@H]2CC[NH2+]2)CC1 ZINC001159383125 801799916 /nfs/dbraw/zinc/79/99/16/801799916.db2.gz ZYKJBALNCWUGHZ-LBPRGKRZSA-N 2 2 274.368 0.817 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@@H](c2ccccc2F)C1 ZINC001160535703 801964648 /nfs/dbraw/zinc/96/46/48/801964648.db2.gz ULTDFAARBMYEEB-OSMZGAPFSA-N 2 2 277.343 0.688 20 0 CCADLP c1nc2c(c(N[C@H]3CCC[C@@H]3[NH+]3CCOCC3)n1)C[NH2+]C2 ZINC001160722971 802010600 /nfs/dbraw/zinc/01/06/00/802010600.db2.gz JEMWXMUCZIRNGJ-JSGCOSHPSA-N 2 2 289.383 0.745 20 0 CCADLP O=C(N1CCC[C@@H]1c1ccccn1)[C@@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001160936371 802049998 /nfs/dbraw/zinc/04/99/98/802049998.db2.gz VVKHQKPOPQLATR-XNRPHZJLSA-N 2 2 286.379 0.697 20 0 CCADLP C[C@H]([NH2+]CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)C(N)=O ZINC001160991175 802058294 /nfs/dbraw/zinc/05/82/94/802058294.db2.gz OCTNNJMFKCDZSW-VIFPVBQESA-N 2 2 289.339 0.146 20 0 CCADLP COCC[NH2+]CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001161214803 802108662 /nfs/dbraw/zinc/10/86/62/802108662.db2.gz HAYPXLXTWLCLSC-LBPRGKRZSA-N 2 2 280.372 0.188 20 0 CCADLP COc1cc(N2CCN(C(=O)[C@H]3CC[C@@H]3[NH3+])CC2)cc[nH+]1 ZINC001161306691 802121640 /nfs/dbraw/zinc/12/16/40/802121640.db2.gz WDVNTZCBSGKRNT-STQMWFEESA-N 2 2 290.367 0.476 20 0 CCADLP O=C(NCCC[NH2+]CCF)[C@H]1CCn2cc[nH+]c2C1 ZINC001161309986 802123557 /nfs/dbraw/zinc/12/35/57/802123557.db2.gz QZIBOODYSXEKBP-NSHDSACASA-N 2 2 268.336 0.511 20 0 CCADLP CCN(C(=O)[C@@]1(C)CC(F)(F)C[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC001161333581 802131087 /nfs/dbraw/zinc/13/10/87/802131087.db2.gz UZPMWCGVEBBUNB-ZYHUDNBSSA-N 2 2 275.343 0.974 20 0 CCADLP C[C@@H]1C(=O)CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)C12CCCC2 ZINC001161517512 802168503 /nfs/dbraw/zinc/16/85/03/802168503.db2.gz RQBXOZKLAXRYAO-UTUOFQBUSA-N 2 2 279.384 0.426 20 0 CCADLP C[NH+]1CCN(CCCNc2c[nH+]c3c(c2)CCCN3)CC1 ZINC001161711830 802206723 /nfs/dbraw/zinc/20/67/23/802206723.db2.gz QKAPDUZEKMATLM-UHFFFAOYSA-N 2 2 289.427 0.777 20 0 CCADLP CN1CC[NH+](CCCNc2c[nH+]c3c(c2)CCCN3)CC1 ZINC001161711830 802206736 /nfs/dbraw/zinc/20/67/36/802206736.db2.gz QKAPDUZEKMATLM-UHFFFAOYSA-N 2 2 289.427 0.777 20 0 CCADLP C[C@@]1([NH3+])C[C@H](Nc2cc(N3CCC[C@@H]3C(N)=O)nc[nH+]2)C1 ZINC001162331485 802324193 /nfs/dbraw/zinc/32/41/93/802324193.db2.gz QTRJNXSVPPNYHC-RULNRJAQSA-N 2 2 290.371 0.222 20 0 CCADLP C[C@@]1([NH3+])C[C@H](Nc2cc(N3CCC[C@@H]3C(N)=O)[nH+]cn2)C1 ZINC001162331485 802324199 /nfs/dbraw/zinc/32/41/99/802324199.db2.gz QTRJNXSVPPNYHC-RULNRJAQSA-N 2 2 290.371 0.222 20 0 CCADLP CC(C)OCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H]1C ZINC001278333425 806977282 /nfs/dbraw/zinc/97/72/82/806977282.db2.gz FBURVLCORSJBRP-KGLIPLIRSA-N 2 2 294.399 0.887 20 0 CCADLP C[C@@H](O)C[NH2+]CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001162427168 802338115 /nfs/dbraw/zinc/33/81/15/802338115.db2.gz CCUKNDOSINUESL-LLVKDONJSA-N 2 2 276.340 0.425 20 0 CCADLP CC[NH+]1CCC(CNC(=O)Cc2c[nH]c[nH+]2)(COC)CC1 ZINC001162506884 802355242 /nfs/dbraw/zinc/35/52/42/802355242.db2.gz JBVWIXXUWBSUMD-UHFFFAOYSA-N 2 2 294.399 0.817 20 0 CCADLP CCOC(=O)C1CCC([N@@H+]2CCO[C@@H](C[NH3+])C2)CC1 ZINC001255251620 808336495 /nfs/dbraw/zinc/33/64/95/808336495.db2.gz VVBOKYNGQPQXGK-BPCQOVAHSA-N 2 2 270.373 0.768 20 0 CCADLP CCOC(=O)C1CCC([N@H+]2CCO[C@@H](C[NH3+])C2)CC1 ZINC001255251620 808336501 /nfs/dbraw/zinc/33/65/01/808336501.db2.gz VVBOKYNGQPQXGK-BPCQOVAHSA-N 2 2 270.373 0.768 20 0 CCADLP Cc1nc(NCc2nnn3c2C[NH2+]CCC3)cc[nH+]1 ZINC001162971345 802444845 /nfs/dbraw/zinc/44/48/45/802444845.db2.gz CMEQOVHGAOXBGK-UHFFFAOYSA-N 2 2 259.317 0.482 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCO1 ZINC001255673931 808421175 /nfs/dbraw/zinc/42/11/75/808421175.db2.gz IGBXCCQBBNDVJL-QNMSZWNNSA-N 2 2 282.384 0.876 20 0 CCADLP COC(=O)[C@H]1C[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)CCO1 ZINC001255673931 808421179 /nfs/dbraw/zinc/42/11/79/808421179.db2.gz IGBXCCQBBNDVJL-QNMSZWNNSA-N 2 2 282.384 0.876 20 0 CCADLP COC(=O)[C@H]1C[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCO1 ZINC001255673931 808421183 /nfs/dbraw/zinc/42/11/83/808421183.db2.gz IGBXCCQBBNDVJL-QNMSZWNNSA-N 2 2 282.384 0.876 20 0 CCADLP COC(=O)[C@H]1C[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCO1 ZINC001255673931 808421187 /nfs/dbraw/zinc/42/11/87/808421187.db2.gz IGBXCCQBBNDVJL-QNMSZWNNSA-N 2 2 282.384 0.876 20 0 CCADLP c1nc(N2CCCC2)cc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)[nH+]1 ZINC001163102655 802483281 /nfs/dbraw/zinc/48/32/81/802483281.db2.gz YNBMODAOQLLSQP-JHJVBQTASA-N 2 2 289.383 0.723 20 0 CCADLP c1nc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)cc(N2CCCC2)[nH+]1 ZINC001163102655 802483285 /nfs/dbraw/zinc/48/32/85/802483285.db2.gz YNBMODAOQLLSQP-JHJVBQTASA-N 2 2 289.383 0.723 20 0 CCADLP COC(=O)c1c(OC)cc[nH+]c1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001163191640 802503812 /nfs/dbraw/zinc/50/38/12/802503812.db2.gz QGTVYBFZZQZRSR-YMTOWFKASA-N 2 2 293.323 0.420 20 0 CCADLP C[C@H]1CC[C@H](C[NH2+]CCCNC(=O)CCn2cc[nH+]c2)O1 ZINC001163593541 802574744 /nfs/dbraw/zinc/57/47/44/802574744.db2.gz KAZMPTXHMHEONU-UONOGXRCSA-N 2 2 294.399 0.937 20 0 CCADLP C[NH+](C)C1(CNc2cccc[n+]2[O-])CC[NH+](C)CC1 ZINC001164212844 802689273 /nfs/dbraw/zinc/68/92/73/802689273.db2.gz GPVLJZWLZHUYJO-UHFFFAOYSA-N 2 2 264.373 0.758 20 0 CCADLP C[C@H]1CC[C@H](C[NH3+])CN1c1cc(N2CCOCC2)[nH+]cn1 ZINC001164460449 802744166 /nfs/dbraw/zinc/74/41/66/802744166.db2.gz CZQYFROJLWVUKA-QWHCGFSZSA-N 2 2 291.399 0.877 20 0 CCADLP C[C@H]1CC[C@H](C[NH3+])CN1c1cc(N2CCOCC2)nc[nH+]1 ZINC001164460449 802744170 /nfs/dbraw/zinc/74/41/70/802744170.db2.gz CZQYFROJLWVUKA-QWHCGFSZSA-N 2 2 291.399 0.877 20 0 CCADLP Nc1cc(Cl)[nH+]c(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)c1 ZINC001165284058 802813476 /nfs/dbraw/zinc/81/34/76/802813476.db2.gz RINDAGCUBAHWKP-PELKAZGASA-N 2 2 268.748 0.335 20 0 CCADLP Cc1[nH+]c2c(n1-c1ccc(C(N)=O)cn1)CC[NH2+]CC2 ZINC001165352125 802826029 /nfs/dbraw/zinc/82/60/29/802826029.db2.gz PSBYNQRWECIJQP-UHFFFAOYSA-N 2 2 271.324 0.363 20 0 CCADLP Cc1[nH+]c2c(n1-c1ncnc3c1[C@H](C)C(=O)N3)CC[NH2+]CC2 ZINC001165352574 802826251 /nfs/dbraw/zinc/82/62/51/802826251.db2.gz CSNQQXSNPKXUDY-QMMMGPOBSA-N 2 2 298.350 0.715 20 0 CCADLP C[C@H](O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001104836540 811737401 /nfs/dbraw/zinc/73/74/01/811737401.db2.gz RKLCWICJWFTMIX-FRRDWIJNSA-N 2 2 294.399 0.407 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](Cc2cnoc2)CCC1=O ZINC001205724244 803166405 /nfs/dbraw/zinc/16/64/05/803166405.db2.gz LABQQLHBZKWPSO-UHFFFAOYSA-N 2 2 266.345 0.271 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCC(C[NH2+]CCO)CC1 ZINC001205811187 803175271 /nfs/dbraw/zinc/17/52/71/803175271.db2.gz OAENAYHKFCAJOF-UHFFFAOYSA-N 2 2 280.372 0.094 20 0 CCADLP COc1cc(C[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc(OC)c1O ZINC001206512141 803257130 /nfs/dbraw/zinc/25/71/30/803257130.db2.gz JNFXCFCMENHIFV-QWRGUYRKSA-N 2 2 282.340 0.161 20 0 CCADLP COc1cc(C[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)cc(OC)c1O ZINC001206512141 803257131 /nfs/dbraw/zinc/25/71/31/803257131.db2.gz JNFXCFCMENHIFV-QWRGUYRKSA-N 2 2 282.340 0.161 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc3c(c2)OC(F)(F)O3)C[C@@H]1O ZINC001206525626 803259818 /nfs/dbraw/zinc/25/98/18/803259818.db2.gz VQQRTVWJZKCWOA-UWVGGRQHSA-N 2 2 286.278 0.760 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc3c(c2)OC(F)(F)O3)C[C@@H]1O ZINC001206525626 803259821 /nfs/dbraw/zinc/25/98/21/803259821.db2.gz VQQRTVWJZKCWOA-UWVGGRQHSA-N 2 2 286.278 0.760 20 0 CCADLP C[C@@]1(C[NH3+])CCCC[N@H+](CC2=CS[C@@H](N)N2)C1 ZINC001206541978 803264507 /nfs/dbraw/zinc/26/45/07/803264507.db2.gz ONNACNHYSPOUGQ-RYUDHWBXSA-N 2 2 256.419 0.857 20 0 CCADLP C[C@@]1(C[NH3+])CCCC[N@@H+](CC2=CS[C@@H](N)N2)C1 ZINC001206541978 803264516 /nfs/dbraw/zinc/26/45/16/803264516.db2.gz ONNACNHYSPOUGQ-RYUDHWBXSA-N 2 2 256.419 0.857 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001270612109 813837317 /nfs/dbraw/zinc/83/73/17/813837317.db2.gz OVNITMQIBMIOPQ-VXGBXAGGSA-N 2 2 268.361 0.260 20 0 CCADLP C[NH+](C)CCN1CCC12C[NH+](C[C@@H]1CCC[N@H+](C)C1)C2 ZINC001276497922 803292255 /nfs/dbraw/zinc/29/22/55/803292255.db2.gz PYQYFOXJJLTQCS-OAHLLOKOSA-N 3 2 280.460 0.650 20 0 CCADLP C[NH+](C)CCN1CCC12C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC001276497922 803292261 /nfs/dbraw/zinc/29/22/61/803292261.db2.gz PYQYFOXJJLTQCS-OAHLLOKOSA-N 3 2 280.460 0.650 20 0 CCADLP C[NH+]1CCC(CC[N@@H+]2C[C@@H](F)C[C@H]2C(N)=O)CC1 ZINC001207484941 803411348 /nfs/dbraw/zinc/41/13/48/803411348.db2.gz OZYZKQMQOHLEIX-RYUDHWBXSA-N 2 2 257.353 0.616 20 0 CCADLP C[NH+]1CCC(CC[N@H+]2C[C@@H](F)C[C@H]2C(N)=O)CC1 ZINC001207484941 803411354 /nfs/dbraw/zinc/41/13/54/803411354.db2.gz OZYZKQMQOHLEIX-RYUDHWBXSA-N 2 2 257.353 0.616 20 0 CCADLP C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ncccn3)CC2)C1 ZINC001208604068 803527448 /nfs/dbraw/zinc/52/74/48/803527448.db2.gz KSYMBLLUHNIHPE-AWEZNQCLSA-N 2 2 275.400 0.940 20 0 CCADLP C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ncccn3)CC2)C1 ZINC001208604068 803527451 /nfs/dbraw/zinc/52/74/51/803527451.db2.gz KSYMBLLUHNIHPE-AWEZNQCLSA-N 2 2 275.400 0.940 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001208849137 803549012 /nfs/dbraw/zinc/54/90/12/803549012.db2.gz QVLRNZIOOFQIRS-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP COc1ncnc2c1CC[N@H+](Cc1c[nH+]ccc1N)CC2 ZINC001209730182 803625779 /nfs/dbraw/zinc/62/57/79/803625779.db2.gz HGHIQCLVOXAOLF-UHFFFAOYSA-N 2 2 285.351 0.894 20 0 CCADLP COc1ncnc2c1CC[N@@H+](Cc1c[nH+]ccc1N)CC2 ZINC001209730182 803625782 /nfs/dbraw/zinc/62/57/82/803625782.db2.gz HGHIQCLVOXAOLF-UHFFFAOYSA-N 2 2 285.351 0.894 20 0 CCADLP Nc1cc[nH+]cc1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC001209734480 803627035 /nfs/dbraw/zinc/62/70/35/803627035.db2.gz QUCNSOWWJFUSBJ-ZDUSSCGKSA-N 2 2 262.357 0.401 20 0 CCADLP Nc1cc[nH+]cc1C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC001209734480 803627040 /nfs/dbraw/zinc/62/70/40/803627040.db2.gz QUCNSOWWJFUSBJ-ZDUSSCGKSA-N 2 2 262.357 0.401 20 0 CCADLP C[C@@H](O)CCC[NH2+][C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001210302446 803646522 /nfs/dbraw/zinc/64/65/22/803646522.db2.gz BZEPHZHVJOOZAP-OLZOCXBDSA-N 2 2 294.399 0.694 20 0 CCADLP CC(C)(C)OC(=O)NCCCC[N@@H+]1CC[NH2+]C[C@@H](O)C1 ZINC001210399423 803649223 /nfs/dbraw/zinc/64/92/23/803649223.db2.gz KLLRKAJVWUKQFJ-GFCCVEGCSA-N 2 2 287.404 0.557 20 0 CCADLP CC(C)(C)OC(=O)NCCCC[N@H+]1CC[NH2+]C[C@@H](O)C1 ZINC001210399423 803649227 /nfs/dbraw/zinc/64/92/27/803649227.db2.gz KLLRKAJVWUKQFJ-GFCCVEGCSA-N 2 2 287.404 0.557 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001210723245 803658340 /nfs/dbraw/zinc/65/83/40/803658340.db2.gz GQEGWOZNCKBFHL-MBNYWOFBSA-N 2 2 294.399 0.170 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001210723245 803658343 /nfs/dbraw/zinc/65/83/43/803658343.db2.gz GQEGWOZNCKBFHL-MBNYWOFBSA-N 2 2 294.399 0.170 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CCC[C@@H]([NH2+]CCCO)C1 ZINC001210899014 803663922 /nfs/dbraw/zinc/66/39/22/803663922.db2.gz FIBDLGYTMQROKZ-CYBMUJFWSA-N 2 2 294.399 0.316 20 0 CCADLP CO[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374589 803691528 /nfs/dbraw/zinc/69/15/28/803691528.db2.gz MZKLPJCKAKVJTG-CZVUKNJHSA-N 2 2 289.807 0.506 20 0 CCADLP CO[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213374589 803691531 /nfs/dbraw/zinc/69/15/31/803691531.db2.gz MZKLPJCKAKVJTG-CZVUKNJHSA-N 2 2 289.807 0.506 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001214811704 803759329 /nfs/dbraw/zinc/75/93/29/803759329.db2.gz DTDXCMNOCAEWGB-YRGRVCCFSA-N 2 2 294.399 0.814 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001214811704 803759338 /nfs/dbraw/zinc/75/93/38/803759338.db2.gz DTDXCMNOCAEWGB-YRGRVCCFSA-N 2 2 294.399 0.814 20 0 CCADLP COCC[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001215200191 803783304 /nfs/dbraw/zinc/78/33/04/803783304.db2.gz SDXIDLYOQWHUPP-CHWSQXEVSA-N 2 2 294.399 0.436 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)CC1 ZINC000403507871 803835704 /nfs/dbraw/zinc/83/57/04/803835704.db2.gz AXXFTDIHKAAZMY-YHWZYXNKSA-N 2 2 283.441 0.777 20 0 CCADLP COC(=O)[C@H]1[NH2+]CC[C@H]1OCc1ccc2c(c1)CC[NH2+]C2 ZINC001217889582 803923970 /nfs/dbraw/zinc/92/39/70/803923970.db2.gz PGRWXAKTRDOVSI-CABCVRRESA-N 2 2 290.363 0.752 20 0 CCADLP [NH3+]CC(=O)N1CCC[C@H]1C(=O)Nc1cccc2[nH+]ccn21 ZINC001218499572 803965985 /nfs/dbraw/zinc/96/59/85/803965985.db2.gz YAVCLAKJPILIMW-JTQLQIEISA-N 2 2 287.323 0.223 20 0 CCADLP Cc1c(NC(=O)C[NH2+]C2CC[NH2+]CC2)cnn1C ZINC001218505153 803972012 /nfs/dbraw/zinc/97/20/12/803972012.db2.gz OKBXYRNPJZGDLM-UHFFFAOYSA-N 2 2 251.334 0.009 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ncnc2sccc21 ZINC001218514932 803979110 /nfs/dbraw/zinc/97/91/10/803979110.db2.gz FXISAWAPTGJXKZ-VIFPVBQESA-N 2 2 288.336 0.923 20 0 CCADLP COc1ccc2[nH]c(NC(=O)C3([NH3+])CC[NH2+]CC3)nc2c1 ZINC001218520771 803983679 /nfs/dbraw/zinc/98/36/79/803983679.db2.gz HXQVCUZAPKPUIJ-UHFFFAOYSA-N 2 2 289.339 0.591 20 0 CCADLP COc1ccnc(NC(=O)C[NH2+]C2CC[NH2+]CC2)c1 ZINC001218528372 803988740 /nfs/dbraw/zinc/98/87/40/803988740.db2.gz QRNFUIDBQCXCMY-UHFFFAOYSA-N 2 2 264.329 0.370 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1nc2c(s1)C(=O)CCC2 ZINC001218536191 803993473 /nfs/dbraw/zinc/99/34/73/803993473.db2.gz VSGULEGMAZGQIU-LURJTMIESA-N 2 2 268.342 0.277 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1nc2ccccc2nc1Cl ZINC001218564040 804008732 /nfs/dbraw/zinc/00/87/32/804008732.db2.gz HLVYANCAERAQBM-YUMQZZPRSA-N 2 2 291.742 0.768 20 0 CCADLP Cc1ccc(O)c(NC(=O)C2([NH3+])CC[NH2+]CC2)n1 ZINC001218564180 804008898 /nfs/dbraw/zinc/00/88/98/804008898.db2.gz GKZSXDRENOWNKB-UHFFFAOYSA-N 2 2 250.302 0.115 20 0 CCADLP Cc1[nH]nc2ncc(NC(=O)C[NH2+]C3CC[NH2+]CC3)cc12 ZINC001218616110 804035104 /nfs/dbraw/zinc/03/51/04/804035104.db2.gz YKSPFBDOOGLUMF-UHFFFAOYSA-N 2 2 288.355 0.546 20 0 CCADLP CCOC(=O)c1nc(C2CC2)oc1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218669198 804074632 /nfs/dbraw/zinc/07/46/32/804074632.db2.gz MVLWSBKWVGYEQX-QMMMGPOBSA-N 2 2 296.327 0.343 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cc(Cl)[nH]c(=O)c1 ZINC001218693875 804082020 /nfs/dbraw/zinc/08/20/20/804082020.db2.gz LHNXDCPFWLNADP-MRVPVSSYSA-N 2 2 281.703 0.672 20 0 CCADLP COc1nc(NC(=O)[C@@H]2C[C@H]([NH3+])C[NH2+]2)cc2ccccc21 ZINC001218760379 804112345 /nfs/dbraw/zinc/11/23/45/804112345.db2.gz HGPMGDFQLVYDHL-JQWIXIFHSA-N 2 2 286.335 0.871 20 0 CCADLP C[S@](=O)CC[C@H]([NH3+])C(=O)Nc1ccn2cc[nH+]c2c1 ZINC001218787237 804119703 /nfs/dbraw/zinc/11/97/03/804119703.db2.gz BHFHBVJCFBNPIM-OVWNDWIMSA-N 2 2 280.353 0.369 20 0 CCADLP Cn1nnc2cc(NC(=O)C[NH2+]C3CC[NH2+]CC3)ccc21 ZINC001218878483 804146548 /nfs/dbraw/zinc/14/65/48/804146548.db2.gz PQCDZNRIVAVZFA-UHFFFAOYSA-N 2 2 288.355 0.248 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2ccc(C3OCCO3)cc2)C1 ZINC001218910211 804154890 /nfs/dbraw/zinc/15/48/90/804154890.db2.gz FRIXXDJEZUTSLU-PWSUYJOCSA-N 2 2 277.324 0.360 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc(Cl)c1CO ZINC001218991716 804176926 /nfs/dbraw/zinc/17/69/26/804176926.db2.gz UFEDLMVSGHWGHU-XVKPBYJWSA-N 2 2 269.732 0.318 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc(OC2CCOCC2)cc1 ZINC001219033331 804183723 /nfs/dbraw/zinc/18/37/23/804183723.db2.gz LYBSPFYAGZPXNQ-AWEZNQCLSA-N 2 2 293.367 0.859 20 0 CCADLP Cc1cc(Cl)c(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)cc1O ZINC001219033576 804183961 /nfs/dbraw/zinc/18/39/61/804183961.db2.gz NSABAPGGPYRAGE-XCBNKYQSSA-N 2 2 269.732 0.982 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1ccc(CO)cc1 ZINC001219049084 804186521 /nfs/dbraw/zinc/18/65/21/804186521.db2.gz XKTBHGYOKLMJKG-ZDUSSCGKSA-N 2 2 274.324 0.421 20 0 CCADLP N=c1c2cc(N)ccc2on1C(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001219136980 804213016 /nfs/dbraw/zinc/21/30/16/804213016.db2.gz YKTRROWUMHVRJE-UHFFFAOYSA-N 2 2 289.339 0.278 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc2cncc(F)c21 ZINC001219201689 804234561 /nfs/dbraw/zinc/23/45/61/804234561.db2.gz HVEFYNLWBPGONW-ONGXEEELSA-N 2 2 274.299 0.859 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1ccc(N2CCC[C@@H]([NH3+])C2)cc1 ZINC001219233330 804243189 /nfs/dbraw/zinc/24/31/89/804243189.db2.gz LZJRIOLQDSMJHC-RISCZKNCSA-N 3 2 291.399 0.229 20 0 CCADLP CC1(C)NC(=O)Nc2ccc(NC(=O)[C@@H]([NH3+])CC[NH3+])cc21 ZINC001219336594 804274661 /nfs/dbraw/zinc/27/46/61/804274661.db2.gz OVBOJFVEPDPMLK-JTQLQIEISA-N 2 2 291.355 0.671 20 0 CCADLP COC(=O)[C@H]1C[C@H](C(=O)Nc2ccc(C[NH3+])cc2)CC[NH2+]1 ZINC001219347893 804280801 /nfs/dbraw/zinc/28/08/01/804280801.db2.gz UMMXQPJUFJZJBQ-DGCLKSJQSA-N 2 2 291.351 0.625 20 0 CCADLP COc1ccc2ccc(NC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)cc2n1 ZINC001219406826 804300514 /nfs/dbraw/zinc/30/05/14/804300514.db2.gz JIZWFENXNKIVPE-MFKMUULPSA-N 2 2 286.335 0.871 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC001219999218 804468058 /nfs/dbraw/zinc/46/80/58/804468058.db2.gz NMCWQJJJIYBFOW-GJZGRUSLSA-N 3 2 290.411 0.616 20 0 CCADLP C[C@@H](F)CC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220105973 804501338 /nfs/dbraw/zinc/50/13/38/804501338.db2.gz VFMOUWXULBXOKB-UPJWGTAASA-N 2 2 298.362 0.183 20 0 CCADLP C[C@@H](F)CC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H](O)C1 ZINC001220105973 804501345 /nfs/dbraw/zinc/50/13/45/804501345.db2.gz VFMOUWXULBXOKB-UPJWGTAASA-N 2 2 298.362 0.183 20 0 CCADLP [NH3+]C1(C(=O)NC2(C(F)(F)F)CCOCC2)CC[NH2+]CC1 ZINC001220157063 804519817 /nfs/dbraw/zinc/51/98/17/804519817.db2.gz WCTWPVNCBPCUHS-UHFFFAOYSA-N 2 2 295.305 0.295 20 0 CCADLP O=C(NC[C@@H]1CC[NH2+]CC1(F)F)[C@H]1CC[NH2+]C[C@@H]1F ZINC001220189332 804532436 /nfs/dbraw/zinc/53/24/36/804532436.db2.gz PHDQQEKQBMVPKH-GUBZILKMSA-N 2 2 279.306 0.295 20 0 CCADLP CC(C)(C)OC[C@H]([NH3+])C(=O)NCC1([NH+]2CCCC2)COC1 ZINC001220197517 804533644 /nfs/dbraw/zinc/53/36/44/804533644.db2.gz HZCLTIMEGMMSIT-LBPRGKRZSA-N 2 2 299.415 0.110 20 0 CCADLP [NH3+][C@H](C(=O)NCC1([NH+]2CCCC2)COC1)c1ccccc1 ZINC001220197886 804534339 /nfs/dbraw/zinc/53/43/39/804534339.db2.gz VHNQDTFIFVGFMH-AWEZNQCLSA-N 2 2 289.379 0.667 20 0 CCADLP CC(C)C[C@@](C)([NH3+])C(=O)N[C@@H](CO)Cc1c[nH]c[nH+]1 ZINC001220291907 804564142 /nfs/dbraw/zinc/56/41/42/804564142.db2.gz YDZTXVWVYLFDBK-DGCLKSJQSA-N 2 2 268.361 0.193 20 0 CCADLP CC(C)C[C@@](C)([NH3+])C(=O)N[C@@H](CO)Cc1c[nH+]c[nH]1 ZINC001220291907 804564147 /nfs/dbraw/zinc/56/41/47/804564147.db2.gz YDZTXVWVYLFDBK-DGCLKSJQSA-N 2 2 268.361 0.193 20 0 CCADLP COc1cc2c(cc1C)C[C@H](NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C2 ZINC001220378452 804587332 /nfs/dbraw/zinc/58/73/32/804587332.db2.gz AGTSIFPZJWGXGS-IHRRRGAJSA-N 2 2 289.379 0.134 20 0 CCADLP CC(C)[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001220441820 804605517 /nfs/dbraw/zinc/60/55/17/804605517.db2.gz PJJDJLQFCMSTKI-UPJWGTAASA-N 2 2 280.372 0.404 20 0 CCADLP CC(C)[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@@H](O)C1 ZINC001220441820 804605525 /nfs/dbraw/zinc/60/55/25/804605525.db2.gz PJJDJLQFCMSTKI-UPJWGTAASA-N 2 2 280.372 0.404 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCCc2ccc3[nH]ccc3c2)C1 ZINC001220589655 804633011 /nfs/dbraw/zinc/63/30/11/804633011.db2.gz DFDQUIZMBUMRJV-OCCSQVGLSA-N 2 2 272.352 0.516 20 0 CCADLP C[C@@H](NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)c1ncc(F)cn1 ZINC001220599579 804636558 /nfs/dbraw/zinc/63/65/58/804636558.db2.gz XZHVYQXXFVAWJJ-HMMKDHSLSA-N 2 2 279.319 0.015 20 0 CCADLP CC(C)(F)c1ncncc1CNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001220673553 804647097 /nfs/dbraw/zinc/64/70/97/804647097.db2.gz CZONWVNKFFUUNI-UHFFFAOYSA-N 2 2 295.362 0.378 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCCCOc2cccc(F)c2)C1 ZINC001220685058 804648601 /nfs/dbraw/zinc/64/86/01/804648601.db2.gz LXBOHEMHJJCUDU-YPMHNXCESA-N 2 2 281.331 0.400 20 0 CCADLP CCCCC[C@H]([NH2+]C)C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC001220724118 804656877 /nfs/dbraw/zinc/65/68/77/804656877.db2.gz DUGRCTAOILQRAY-KGLIPLIRSA-N 2 2 285.432 0.992 20 0 CCADLP CCCCC[C@H]([NH2+]C)C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC001220724118 804656883 /nfs/dbraw/zinc/65/68/83/804656883.db2.gz DUGRCTAOILQRAY-KGLIPLIRSA-N 2 2 285.432 0.992 20 0 CCADLP COC(=O)C[C@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)C1CCCCC1 ZINC001220731203 804658005 /nfs/dbraw/zinc/65/80/05/804658005.db2.gz HQNQDJKEZBVLSW-AGIUHOORSA-N 2 2 297.399 0.304 20 0 CCADLP CC(=O)NC[C@H](C)CNC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220756313 804660962 /nfs/dbraw/zinc/66/09/62/804660962.db2.gz AWWGJJTVIKPDMB-HZMBPMFUSA-N 2 2 292.383 0.147 20 0 CCADLP O=C(NCc1ccc(O)cc1F)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220821523 804672914 /nfs/dbraw/zinc/67/29/14/804672914.db2.gz MVBBLRWYBTTZCB-YGRLFVJLSA-N 2 2 279.315 0.099 20 0 CCADLP Cc1cc2c(cn1)[C@@H](NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)CC2 ZINC001220960366 804708692 /nfs/dbraw/zinc/70/86/92/804708692.db2.gz MPJMRPKSOMLORD-WXHSDQCUSA-N 2 2 260.341 0.183 20 0 CCADLP [NH3+]C1(CC2CCC2)CCN(C(=O)C2([NH3+])CC[NH2+]CC2)CC1 ZINC001220972379 804713014 /nfs/dbraw/zinc/71/30/14/804713014.db2.gz DTXHPYIIJOXYJM-UHFFFAOYSA-N 3 2 294.443 0.577 20 0 CCADLP CC(C)CC1(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)CCOCC1 ZINC001221001368 804715873 /nfs/dbraw/zinc/71/58/73/804715873.db2.gz RAXDSZRZPKWEBH-IOASZLSFSA-N 2 2 295.427 0.920 20 0 CCADLP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCc1c[nH+]cn1C1CCC1 ZINC001221023955 804722296 /nfs/dbraw/zinc/72/22/96/804722296.db2.gz WPBPDVLGUCXURK-AWEZNQCLSA-N 3 2 293.415 0.941 20 0 CCADLP Cc1ncsc1CCNC(=O)C1([NH3+])CC[NH2+]CC1 ZINC001221327643 804777706 /nfs/dbraw/zinc/77/77/06/804777706.db2.gz CBONWGZMSLSGGS-UHFFFAOYSA-N 2 2 268.386 0.191 20 0 CCADLP Cc1cccc(C2(NC(=O)[C@@H]3C[C@@H]([NH3+])C[NH2+]3)CC2)c1 ZINC001221331180 804778793 /nfs/dbraw/zinc/77/87/93/804778793.db2.gz VMRQUZSLQQFRBP-OLZOCXBDSA-N 2 2 259.353 0.790 20 0 CCADLP COc1cnccc1CCNC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001221338028 804780931 /nfs/dbraw/zinc/78/09/31/804780931.db2.gz VNTAOYQRIWAIQQ-LBPRGKRZSA-N 2 2 289.339 0.042 20 0 CCADLP CCCC(C[NH3+])(CCC)NC(=O)[C@@H](CO)n1cc[nH+]c1 ZINC001221369005 804789988 /nfs/dbraw/zinc/78/99/88/804789988.db2.gz GYXDGTJVDOVVER-GFCCVEGCSA-N 2 2 282.388 0.830 20 0 CCADLP CC(C)N(C(=O)[C@@H]([NH3+])Cc1c[nH+]cn1C)C(C)(C)C[NH3+] ZINC001221394039 804799168 /nfs/dbraw/zinc/79/91/68/804799168.db2.gz GWKYBPCBOYPCGI-LBPRGKRZSA-N 3 2 281.404 0.264 20 0 CCADLP O=C(N[C@@H]1CCc2c1cccc2O)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001221394945 804800018 /nfs/dbraw/zinc/80/00/18/804800018.db2.gz JJTIQGPHUCAWBW-OWRWGESLSA-N 2 2 287.363 0.447 20 0 CCADLP C[C@@]1(C(=O)N[C@@H](C2CCC2)C2C[NH2+]C2)CC(F)(F)C[NH2+]1 ZINC001221407222 804808390 /nfs/dbraw/zinc/80/83/90/804808390.db2.gz BJWHEUPKNBDHGQ-AAEUAGOBSA-N 2 2 287.354 0.878 20 0 CCADLP CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001221835202 804850190 /nfs/dbraw/zinc/85/01/90/804850190.db2.gz AYPSDELSSKBMRB-TZMCWYRMSA-N 2 2 292.383 0.521 20 0 CCADLP CCOCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001221835202 804850199 /nfs/dbraw/zinc/85/01/99/804850199.db2.gz AYPSDELSSKBMRB-TZMCWYRMSA-N 2 2 292.383 0.521 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CC[N@@H+]1CC1CC1 ZINC001276862375 804952250 /nfs/dbraw/zinc/95/22/50/804952250.db2.gz UIZHKGPERMDDQA-CYBMUJFWSA-N 2 2 262.357 0.943 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CC[N@H+]1CC1CC1 ZINC001276862375 804952255 /nfs/dbraw/zinc/95/22/55/804952255.db2.gz UIZHKGPERMDDQA-CYBMUJFWSA-N 2 2 262.357 0.943 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CC[N@@H+]1CC1CC1 ZINC001276862375 804952261 /nfs/dbraw/zinc/95/22/61/804952261.db2.gz UIZHKGPERMDDQA-CYBMUJFWSA-N 2 2 262.357 0.943 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CC[N@H+]1CC1CC1 ZINC001276862375 804952264 /nfs/dbraw/zinc/95/22/64/804952264.db2.gz UIZHKGPERMDDQA-CYBMUJFWSA-N 2 2 262.357 0.943 20 0 CCADLP CCOCC[NH+]1CCC(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001224980396 805096926 /nfs/dbraw/zinc/09/69/26/805096926.db2.gz HDHJNRXJCJQQSO-UHFFFAOYSA-N 2 2 294.399 0.817 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC[NH+](CCCO)CC1 ZINC001229558649 805541206 /nfs/dbraw/zinc/54/12/06/805541206.db2.gz AXIWHQOOKDCBMR-GFCCVEGCSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC[NH+](CCCO)CC1 ZINC001229558649 805541212 /nfs/dbraw/zinc/54/12/12/805541212.db2.gz AXIWHQOOKDCBMR-GFCCVEGCSA-N 2 2 294.399 0.551 20 0 CCADLP C[NH+]1CCN(c2ccc(C3=C[NH2+]CCC3)nn2)CC1 ZINC001243947583 807046644 /nfs/dbraw/zinc/04/66/44/807046644.db2.gz MFODXNMKLZWXDA-UHFFFAOYSA-N 2 2 259.357 0.953 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH2+]C[C@H](O)C[NH2+]C(C)(C)C)C[NH2+]1 ZINC001245974439 807104400 /nfs/dbraw/zinc/10/44/00/807104400.db2.gz MQTSXSSIISYKLW-AGIUHOORSA-N 3 2 257.422 0.713 20 0 CCADLP O[C@@H](C[N@@H+]1CCC[C@@]12CCC[NH2+]C2)CC1(O)CC[NH2+]CC1 ZINC001246028656 807125005 /nfs/dbraw/zinc/12/50/05/807125005.db2.gz KBWGSBOHEZIFBZ-HUUCEWRRSA-N 3 2 297.443 0.070 20 0 CCADLP O[C@@H](C[N@H+]1CCC[C@@]12CCC[NH2+]C2)CC1(O)CC[NH2+]CC1 ZINC001246028656 807125015 /nfs/dbraw/zinc/12/50/15/807125015.db2.gz KBWGSBOHEZIFBZ-HUUCEWRRSA-N 3 2 297.443 0.070 20 0 CCADLP COc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001246045434 807131389 /nfs/dbraw/zinc/13/13/89/807131389.db2.gz KHFHVKVECPRWHC-WOSRLPQWSA-N 2 2 292.379 0.858 20 0 CCADLP COc1ccc(OC[C@H](O)C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001246045434 807131390 /nfs/dbraw/zinc/13/13/90/807131390.db2.gz KHFHVKVECPRWHC-WOSRLPQWSA-N 2 2 292.379 0.858 20 0 CCADLP [NH3+][C@]12CC[C@@H]1C[N@H+](C[C@H](O)COc1cccc(F)c1)C2 ZINC001246044880 807131751 /nfs/dbraw/zinc/13/17/51/807131751.db2.gz HOUYOPLPJPVYJA-ZLDLUXBVSA-N 2 2 280.343 0.989 20 0 CCADLP [NH3+][C@]12CC[C@@H]1C[N@@H+](C[C@H](O)COc1cccc(F)c1)C2 ZINC001246044880 807131759 /nfs/dbraw/zinc/13/17/59/807131759.db2.gz HOUYOPLPJPVYJA-ZLDLUXBVSA-N 2 2 280.343 0.989 20 0 CCADLP COc1ccc(OC[C@H](O)C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1 ZINC001246045432 807132370 /nfs/dbraw/zinc/13/23/70/807132370.db2.gz KHFHVKVECPRWHC-IOASZLSFSA-N 2 2 292.379 0.858 20 0 CCADLP COc1ccc(OC[C@H](O)C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1 ZINC001246045432 807132375 /nfs/dbraw/zinc/13/23/75/807132375.db2.gz KHFHVKVECPRWHC-IOASZLSFSA-N 2 2 292.379 0.858 20 0 CCADLP C[C@H]([NH3+])C[N@H+](C)C[C@H](O)COc1ccc(CCO)cc1 ZINC001246055689 807136080 /nfs/dbraw/zinc/13/60/80/807136080.db2.gz DAXYVVLPYISPNI-JSGCOSHPSA-N 2 2 282.384 0.240 20 0 CCADLP C[C@H]([NH3+])C[N@@H+](C)C[C@H](O)COc1ccc(CCO)cc1 ZINC001246055689 807136085 /nfs/dbraw/zinc/13/60/85/807136085.db2.gz DAXYVVLPYISPNI-JSGCOSHPSA-N 2 2 282.384 0.240 20 0 CCADLP C([NH2+][C@@H]1CCC2(C[NH2+]C2)C1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246140301 807163527 /nfs/dbraw/zinc/16/35/27/807163527.db2.gz GTHYURFCJGFYGX-KGLIPLIRSA-N 4 2 278.444 0.592 20 0 CCADLP CS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC001246165043 807173095 /nfs/dbraw/zinc/17/30/95/807173095.db2.gz DLWWPUBSKAAQBS-CYBMUJFWSA-N 2 2 282.409 0.974 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](NCC2([NH3+])CCCCC2)C[NH2+]1 ZINC001246280268 807206227 /nfs/dbraw/zinc/20/62/27/807206227.db2.gz SGVJPAIOHXFWGE-MNOVXSKESA-N 2 2 255.362 0.141 20 0 CCADLP COC(=O)[C@@H]1C[C@H](NC[C@H]([NH3+])c2ccccc2)C[NH2+]1 ZINC001246295960 807210360 /nfs/dbraw/zinc/21/03/60/807210360.db2.gz ZNDKLZLMLVPYQU-AVGNSLFASA-N 2 2 263.341 0.180 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001246298398 807211432 /nfs/dbraw/zinc/21/14/32/807211432.db2.gz BCNNMCDXWQRFHO-JVLSTEMRSA-N 2 2 282.334 0.992 20 0 CCADLP OC[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001246302227 807214069 /nfs/dbraw/zinc/21/40/69/807214069.db2.gz CCUBAWFRPKNHTE-MISXGVKJSA-N 2 2 250.317 0.463 20 0 CCADLP CC[C@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(=O)OC(C)(C)C ZINC001246321211 807221540 /nfs/dbraw/zinc/22/15/40/807221540.db2.gz ARZSLPZEUYJOIE-NEPJUHHUSA-N 2 2 283.416 0.790 20 0 CCADLP CC(C)(C)[C@H]1C[C@@H]([NH2+]CCN2CC[NH2+]CC2=O)CC[NH2+]1 ZINC001246356347 807231811 /nfs/dbraw/zinc/23/18/11/807231811.db2.gz NJHJWBAJDMISOK-QWHCGFSZSA-N 3 2 282.432 0.175 20 0 CCADLP O=C(c1ccncc1)N1CC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC001246361018 807233813 /nfs/dbraw/zinc/23/38/13/807233813.db2.gz MPVZFEHTTJCJJP-UONOGXRCSA-N 2 2 274.368 0.638 20 0 CCADLP COC(=O)[C@H](CCC[NH3+])[NH2+][C@H]1CCC[C@H](C(=O)OC)C1 ZINC001246401119 807243123 /nfs/dbraw/zinc/24/31/23/807243123.db2.gz KIQXGVFJQBHZHJ-SRVKXCTJSA-N 2 2 286.372 0.588 20 0 CCADLP CCCCOC(=O)CC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCN1 ZINC001246489303 807263644 /nfs/dbraw/zinc/26/36/44/807263644.db2.gz MYUWNKMFKZNZAF-OLZOCXBDSA-N 2 2 271.405 0.649 20 0 CCADLP FC(F)(F)[C@@H]1C[C@H]([N@@H+]2CCC[NH2+]CC2)CCN1 ZINC001246522419 807272364 /nfs/dbraw/zinc/27/23/64/807272364.db2.gz DHIRUNPAYKOSNG-ZJUUUORDSA-N 2 2 251.296 0.965 20 0 CCADLP FC(F)(F)[C@@H]1C[C@H]([N@H+]2CCC[NH2+]CC2)CCN1 ZINC001246522419 807272367 /nfs/dbraw/zinc/27/23/67/807272367.db2.gz DHIRUNPAYKOSNG-ZJUUUORDSA-N 2 2 251.296 0.965 20 0 CCADLP CCOC(=O)CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246542142 807279417 /nfs/dbraw/zinc/27/94/17/807279417.db2.gz WNALGVOTQJMUBI-PBWFPOADSA-N 2 2 281.400 0.450 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CN1 ZINC001246565599 807293359 /nfs/dbraw/zinc/29/33/59/807293359.db2.gz CTCPLQMIUXOFCB-BJDJZHNGSA-N 2 2 273.352 0.041 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)CN1 ZINC001246565599 807293362 /nfs/dbraw/zinc/29/33/62/807293362.db2.gz CTCPLQMIUXOFCB-BJDJZHNGSA-N 2 2 273.352 0.041 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH+]2CCC3(CC[NH2+]3)CC2)CN1 ZINC001246646447 807343692 /nfs/dbraw/zinc/34/36/92/807343692.db2.gz FCYPRBPXVLFPPN-RYUDHWBXSA-N 2 2 267.373 0.108 20 0 CCADLP C[C@H]1CC[C@H]([N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)C[NH2+]1 ZINC001246749697 807369523 /nfs/dbraw/zinc/36/95/23/807369523.db2.gz SHOYFHDNCNIWPG-YHUYYLMFSA-N 3 2 280.460 0.837 20 0 CCADLP C[C@H]1CC[C@H]([N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)C[NH2+]1 ZINC001246749697 807369529 /nfs/dbraw/zinc/36/95/29/807369529.db2.gz SHOYFHDNCNIWPG-YHUYYLMFSA-N 3 2 280.460 0.837 20 0 CCADLP CC(C)c1nnc2n1CC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246794352 807382595 /nfs/dbraw/zinc/38/25/95/807382595.db2.gz DWEVYZNPJSKGQA-LBPRGKRZSA-N 2 2 290.415 0.311 20 0 CCADLP CC(C)c1nnc2n1CC[N@@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246794352 807382601 /nfs/dbraw/zinc/38/26/01/807382601.db2.gz DWEVYZNPJSKGQA-LBPRGKRZSA-N 2 2 290.415 0.311 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N2CCC[C@@H]2C[NH+]2CCCC2)C[NH2+]1 ZINC001246803737 807388482 /nfs/dbraw/zinc/38/84/82/807388482.db2.gz CRNNBKGFTWDIOF-RDBSUJKOSA-N 2 2 281.400 0.450 20 0 CCADLP c1cnnc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC001246808107 807390784 /nfs/dbraw/zinc/39/07/84/807390784.db2.gz BLRZGDCIEBUADC-PBWFPOADSA-N 2 2 273.384 0.882 20 0 CCADLP O=C1NCCCC12CC[NH+]([C@H]1CCC[NH2+]C1)CC2 ZINC001246819277 807395392 /nfs/dbraw/zinc/39/53/92/807395392.db2.gz CPUMGOMNEWIUHX-LBPRGKRZSA-N 2 2 251.374 0.731 20 0 CCADLP C[C@H]1C[C@H]([NH+]2CCN(c3ccncn3)CC2)CC[NH2+]1 ZINC001246865353 807413313 /nfs/dbraw/zinc/41/33/13/807413313.db2.gz SZIXKAHIISBIKF-QWHCGFSZSA-N 2 2 261.373 0.739 20 0 CCADLP COC(=O)[C@H]1C[N@@H+](C2CCC3(CC[NH2+]C3)CC2)C[C@@H]1[NH3+] ZINC001246930613 807431709 /nfs/dbraw/zinc/43/17/09/807431709.db2.gz LLFOWANYRFRCGQ-FMPXUHTOSA-N 3 2 281.400 0.341 20 0 CCADLP COC(=O)[C@H]1C[N@H+](C2CCC3(CC[NH2+]C3)CC2)C[C@@H]1[NH3+] ZINC001246930613 807431714 /nfs/dbraw/zinc/43/17/14/807431714.db2.gz LLFOWANYRFRCGQ-FMPXUHTOSA-N 3 2 281.400 0.341 20 0 CCADLP COC(=O)CCCC[C@H](C)[N@H+]1C[C@@H](C(=O)OC)[C@H]([NH3+])C1 ZINC001246939510 807436031 /nfs/dbraw/zinc/43/60/31/807436031.db2.gz RZPUHWCFRIDZMW-QJPTWQEYSA-N 2 2 286.372 0.540 20 0 CCADLP COC(=O)CCCC[C@H](C)[N@@H+]1C[C@@H](C(=O)OC)[C@H]([NH3+])C1 ZINC001246939510 807436033 /nfs/dbraw/zinc/43/60/33/807436033.db2.gz RZPUHWCFRIDZMW-QJPTWQEYSA-N 2 2 286.372 0.540 20 0 CCADLP C[C@@H]1C[C@@H]([N@@H+]2Cc3ccnn3CC[C@@H]2CO)CC[NH2+]1 ZINC001246944862 807436959 /nfs/dbraw/zinc/43/69/59/807436959.db2.gz XZYYOVNXRQPKRF-MBNYWOFBSA-N 2 2 264.373 0.590 20 0 CCADLP C[C@@H]1C[C@@H]([N@H+]2Cc3ccnn3CC[C@@H]2CO)CC[NH2+]1 ZINC001246944862 807436963 /nfs/dbraw/zinc/43/69/63/807436963.db2.gz XZYYOVNXRQPKRF-MBNYWOFBSA-N 2 2 264.373 0.590 20 0 CCADLP CCNC(=O)COC1CC[NH+]([C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246975577 807444790 /nfs/dbraw/zinc/44/47/90/807444790.db2.gz VFKNBTFIFKRSMI-QWHCGFSZSA-N 2 2 283.416 0.744 20 0 CCADLP [NH3+][C@@H]1C[N@@H+](C2CCC3(CCC[NH2+]C3)CC2)CC12COC2 ZINC001246992894 807450489 /nfs/dbraw/zinc/45/04/89/807450489.db2.gz WXOQXCMKOQGPAM-SHARSMKWSA-N 3 2 279.428 0.958 20 0 CCADLP [NH3+][C@@H]1C[N@H+](C2CCC3(CCC[NH2+]C3)CC2)CC12COC2 ZINC001246992894 807450493 /nfs/dbraw/zinc/45/04/93/807450493.db2.gz WXOQXCMKOQGPAM-SHARSMKWSA-N 3 2 279.428 0.958 20 0 CCADLP C[C@H]1C[C@H]([N@@H+]2CC(=O)NC3(CCCC3)C2)CC[NH2+]1 ZINC001246997661 807451593 /nfs/dbraw/zinc/45/15/93/807451593.db2.gz XANFDPNKHKBTBO-NWDGAFQWSA-N 2 2 251.374 0.872 20 0 CCADLP C[C@H]1C[C@H]([N@H+]2CC(=O)NC3(CCCC3)C2)CC[NH2+]1 ZINC001246997661 807451594 /nfs/dbraw/zinc/45/15/94/807451594.db2.gz XANFDPNKHKBTBO-NWDGAFQWSA-N 2 2 251.374 0.872 20 0 CCADLP COc1cc(OC)cc(-c2noc(C[C@@H]([NH3+])C[NH3+])n2)c1 ZINC001249128475 807544310 /nfs/dbraw/zinc/54/43/10/807544310.db2.gz CXVIPFUPEXTFFU-SECBINFHSA-N 2 2 278.312 0.582 20 0 CCADLP CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001075965813 815130284 /nfs/dbraw/zinc/13/02/84/815130284.db2.gz DXCQQDREVGZQDO-BFHYXJOUSA-N 2 2 288.395 0.998 20 0 CCADLP CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001075965813 815130287 /nfs/dbraw/zinc/13/02/87/815130287.db2.gz DXCQQDREVGZQDO-BFHYXJOUSA-N 2 2 288.395 0.998 20 0 CCADLP C[NH+]1CC(C[NH2+]C[C@@H](O)COc2ccc(F)cc2F)C1 ZINC001250879693 807621357 /nfs/dbraw/zinc/62/13/57/807621357.db2.gz KDRQBYJREKLISW-GFCCVEGCSA-N 2 2 286.322 0.856 20 0 CCADLP C[NH+](C)CCCN1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC001250973182 807627652 /nfs/dbraw/zinc/62/76/52/807627652.db2.gz UFDDSVLHXUPJHP-LLVKDONJSA-N 2 2 283.338 0.479 20 0 CCADLP COC(=O)[C@H](O)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001252447487 807865211 /nfs/dbraw/zinc/86/52/11/807865211.db2.gz ZCOHRFJYWHBRCA-GFCCVEGCSA-N 2 2 279.340 0.174 20 0 CCADLP Cc1[nH]c2c([nH+]1)CC[NH+](C[C@@H](O)COC(C)C)CC2 ZINC001252670548 807935158 /nfs/dbraw/zinc/93/51/58/807935158.db2.gz GUEGHZWNBOCTMT-GFCCVEGCSA-N 2 2 267.373 0.905 20 0 CCADLP O[C@@]1(C[NH2+]CC2OCCO2)CC[N@H+](Cc2ccccc2)C1 ZINC001252947223 807988322 /nfs/dbraw/zinc/98/83/22/807988322.db2.gz YBLOILSJTWWRTR-MRXNPFEDSA-N 2 2 292.379 0.586 20 0 CCADLP O[C@@]1(C[NH2+]CC2OCCO2)CC[N@@H+](Cc2ccccc2)C1 ZINC001252947223 807988327 /nfs/dbraw/zinc/98/83/27/807988327.db2.gz YBLOILSJTWWRTR-MRXNPFEDSA-N 2 2 292.379 0.586 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CC[C@H](O)[C@@H](F)CC1 ZINC001253181525 808020465 /nfs/dbraw/zinc/02/04/65/808020465.db2.gz WHEIHGLPJHTRMM-AVGNSLFASA-N 2 2 262.369 0.484 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CC[C@H](O)[C@@H](F)CC1 ZINC001253181525 808020469 /nfs/dbraw/zinc/02/04/69/808020469.db2.gz WHEIHGLPJHTRMM-AVGNSLFASA-N 2 2 262.369 0.484 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC001253187621 808022666 /nfs/dbraw/zinc/02/26/66/808022666.db2.gz FGUAOVYIYYARHV-WUHRBBMRSA-N 2 2 270.373 0.040 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC001253187621 808022677 /nfs/dbraw/zinc/02/26/77/808022677.db2.gz FGUAOVYIYYARHV-WUHRBBMRSA-N 2 2 270.373 0.040 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1C[C@@H]2CC[C@H](C1)C2C(=O)OC ZINC001253188278 808024118 /nfs/dbraw/zinc/02/41/18/808024118.db2.gz UOMDDBBIBHXJHD-MBOZISHXSA-N 2 2 298.427 0.820 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1C[C@@H]2CC[C@H](C1)C2C(=O)OC ZINC001253188278 808024122 /nfs/dbraw/zinc/02/41/22/808024122.db2.gz UOMDDBBIBHXJHD-MBOZISHXSA-N 2 2 298.427 0.820 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)OC)CC1 ZINC001253192292 808026616 /nfs/dbraw/zinc/02/66/16/808026616.db2.gz NPXDJVVFWYSHEZ-ZIAGYGMSSA-N 2 2 286.416 0.964 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CCC[C@@H](C(=O)OC)CC1 ZINC001253192292 808026624 /nfs/dbraw/zinc/02/66/24/808026624.db2.gz NPXDJVVFWYSHEZ-ZIAGYGMSSA-N 2 2 286.416 0.964 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@@H]1OCCc2cn(C)nc21 ZINC001253201855 808028026 /nfs/dbraw/zinc/02/80/26/808028026.db2.gz AFCGVUOSKBBKGB-KGLIPLIRSA-N 2 2 296.415 0.326 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2c(cc[nH]c2=O)C1 ZINC001253395466 808055438 /nfs/dbraw/zinc/05/54/38/808055438.db2.gz GNAJPKSTRAAHJT-GFCCVEGCSA-N 2 2 279.384 0.894 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCc2c(cc[nH]c2=O)C1 ZINC001253395466 808055441 /nfs/dbraw/zinc/05/54/41/808055441.db2.gz GNAJPKSTRAAHJT-GFCCVEGCSA-N 2 2 279.384 0.894 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+]1CC[C@@H](Oc2ncccn2)C1 ZINC001253396781 808057334 /nfs/dbraw/zinc/05/73/34/808057334.db2.gz DOPJQGPWNQAHAD-CHWSQXEVSA-N 2 2 294.399 0.679 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CC[C@@H](Oc2ncccn2)C1 ZINC001253396781 808057340 /nfs/dbraw/zinc/05/73/40/808057340.db2.gz DOPJQGPWNQAHAD-CHWSQXEVSA-N 2 2 294.399 0.679 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC1CC([NH2+]Cc2ccon2)C1 ZINC001101069887 815174556 /nfs/dbraw/zinc/17/45/56/815174556.db2.gz YQJYLNDCQKWMSQ-UHFFFAOYSA-N 2 2 289.339 0.556 20 0 CCADLP CC[NH+]1C[C@@H]2C[NH+](C[C@@H](O)C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001253689302 808117584 /nfs/dbraw/zinc/11/75/84/808117584.db2.gz RATMIZJMENTSHW-JHJVBQTASA-N 2 2 284.400 0.573 20 0 CCADLP CC[N@H+]1C[C@@H]2C[NH+](C[C@@H](O)C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001253689301 808117605 /nfs/dbraw/zinc/11/76/05/808117605.db2.gz RATMIZJMENTSHW-FRRDWIJNSA-N 2 2 284.400 0.573 20 0 CCADLP CC[N@@H+]1C[C@@H]2C[NH+](C[C@@H](O)C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001253689301 808117606 /nfs/dbraw/zinc/11/76/06/808117606.db2.gz RATMIZJMENTSHW-FRRDWIJNSA-N 2 2 284.400 0.573 20 0 CCADLP CC[NH+]1C[C@@H]2C[N@@H+](C[C@@H](O)C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001253689301 808117608 /nfs/dbraw/zinc/11/76/08/808117608.db2.gz RATMIZJMENTSHW-FRRDWIJNSA-N 2 2 284.400 0.573 20 0 CCADLP CC[NH+]1C[C@@H]2C[N@H+](C[C@@H](O)C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001253689301 808117609 /nfs/dbraw/zinc/11/76/09/808117609.db2.gz RATMIZJMENTSHW-FRRDWIJNSA-N 2 2 284.400 0.573 20 0 CCADLP CC(C)(C)OC(=O)N1C[C@H]([NH3+])[C@@H]([NH2+][C@@H]2CCCOC2)C1 ZINC001254372829 808224161 /nfs/dbraw/zinc/22/41/61/808224161.db2.gz OEHISBGCLIHSKN-WOPDTQHZSA-N 2 2 285.388 0.702 20 0 CCADLP CNC(=O)C[N@@H+]1CCCC12CC[NH+]([C@H]1CCCOC1)CC2 ZINC001254379032 808226284 /nfs/dbraw/zinc/22/62/84/808226284.db2.gz BIAWFRKQGHMEHT-AWEZNQCLSA-N 2 2 295.427 0.842 20 0 CCADLP CNC(=O)C[N@H+]1CCCC12CC[NH+]([C@H]1CCCOC1)CC2 ZINC001254379032 808226285 /nfs/dbraw/zinc/22/62/85/808226285.db2.gz BIAWFRKQGHMEHT-AWEZNQCLSA-N 2 2 295.427 0.842 20 0 CCADLP CCOC(=O)C[NH+]1CCC(N2CC[N@@H+]3CC[C@@H]3C2)CC1 ZINC001254413409 808236215 /nfs/dbraw/zinc/23/62/15/808236215.db2.gz WGHBVBNHKLHAAB-CQSZACIVSA-N 2 2 281.400 0.404 20 0 CCADLP CCOC(=O)C[NH+]1CCC(N2CC[N@H+]3CC[C@@H]3C2)CC1 ZINC001254413409 808236219 /nfs/dbraw/zinc/23/62/19/808236219.db2.gz WGHBVBNHKLHAAB-CQSZACIVSA-N 2 2 281.400 0.404 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000030909869 815190451 /nfs/dbraw/zinc/19/04/51/815190451.db2.gz CHVRZMANHXLVME-LBPRGKRZSA-N 2 2 288.351 0.926 20 0 CCADLP O=C1OCCN1CC[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254840166 808285639 /nfs/dbraw/zinc/28/56/39/808285639.db2.gz CUACSSWKCRIHBM-GFCCVEGCSA-N 2 2 253.346 0.513 20 0 CCADLP COC(=O)[C@H]1[C@@H]2C[N@H+]([C@@H]3CC4CC[NH+](CC4)C3)C[C@@H]21 ZINC001254861688 808290165 /nfs/dbraw/zinc/29/01/65/808290165.db2.gz UWEABGZNBWVYFG-MQYQWHSLSA-N 2 2 264.369 0.822 20 0 CCADLP COC(=O)[C@H]1[C@@H]2C[N@@H+]([C@@H]3CC4CC[NH+](CC4)C3)C[C@@H]21 ZINC001254861688 808290171 /nfs/dbraw/zinc/29/01/71/808290171.db2.gz UWEABGZNBWVYFG-MQYQWHSLSA-N 2 2 264.369 0.822 20 0 CCADLP CCOC(=O)[C@H]1CCC[C@@H]([NH2+][C@@H]2COC[C@H]2[NH3+])C1 ZINC001255336425 808346802 /nfs/dbraw/zinc/34/68/02/808346802.db2.gz BQTDTEDBITTYLO-IRCOFANPSA-N 2 2 256.346 0.424 20 0 CCADLP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2COC[C@H]2[NH3+])C1 ZINC001255589363 808411064 /nfs/dbraw/zinc/41/10/64/808411064.db2.gz YXALWCJIUTYAAS-HBNTYKKESA-N 2 2 271.361 0.312 20 0 CCADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC001255941495 808438977 /nfs/dbraw/zinc/43/89/77/808438977.db2.gz SCMBJAWHWJXYNR-NWDGAFQWSA-N 2 2 262.419 0.884 20 0 CCADLP OC[C@H]1C[N@@H+](C2CC[NH+](C3CC3)CC2)CC[C@@H]1O ZINC001256075088 808467642 /nfs/dbraw/zinc/46/76/42/808467642.db2.gz CMXYWELJVBAIGU-RISCZKNCSA-N 2 2 254.374 0.288 20 0 CCADLP OC[C@H]1C[N@H+](C2CC[NH+](C3CC3)CC2)CC[C@@H]1O ZINC001256075088 808467647 /nfs/dbraw/zinc/46/76/47/808467647.db2.gz CMXYWELJVBAIGU-RISCZKNCSA-N 2 2 254.374 0.288 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[NH2+]CC[NH+]1CCCC1 ZINC001256316418 808490482 /nfs/dbraw/zinc/49/04/82/808490482.db2.gz RCMUKXIGLHHSDL-CYBMUJFWSA-N 2 2 269.389 0.309 20 0 CCADLP C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@]1(C)CCC[N@H+](C)C1 ZINC001256333173 808499396 /nfs/dbraw/zinc/49/93/96/808499396.db2.gz BXAOQVXFLKPHGD-DZGCQCFKSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@@H](CC(=O)N1CCOCC1)[NH2+][C@]1(C)CCC[N@@H+](C)C1 ZINC001256333173 808499400 /nfs/dbraw/zinc/49/94/00/808499400.db2.gz BXAOQVXFLKPHGD-DZGCQCFKSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001256349609 808512764 /nfs/dbraw/zinc/51/27/64/808512764.db2.gz NXNGKVDBTVHDRY-KFWWJZLASA-N 2 2 295.427 0.650 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001256349609 808512767 /nfs/dbraw/zinc/51/27/67/808512767.db2.gz NXNGKVDBTVHDRY-KFWWJZLASA-N 2 2 295.427 0.650 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001256349609 808512771 /nfs/dbraw/zinc/51/27/71/808512771.db2.gz NXNGKVDBTVHDRY-KFWWJZLASA-N 2 2 295.427 0.650 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001256349609 808512775 /nfs/dbraw/zinc/51/27/75/808512775.db2.gz NXNGKVDBTVHDRY-KFWWJZLASA-N 2 2 295.427 0.650 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]2C[NH3+])C[C@H]1C(=O)OC ZINC001257720697 808630473 /nfs/dbraw/zinc/63/04/73/808630473.db2.gz HSZHVVWDHPXTCI-WUHRBBMRSA-N 2 2 298.383 0.540 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@H+]2CCC[C@H]2C[NH3+])C[C@H]1C(=O)OC ZINC001257720697 808630478 /nfs/dbraw/zinc/63/04/78/808630478.db2.gz HSZHVVWDHPXTCI-WUHRBBMRSA-N 2 2 298.383 0.540 20 0 CCADLP NC(=O)[C@H](CO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC001258136045 808658435 /nfs/dbraw/zinc/65/84/35/808658435.db2.gz YRPCSZLUXGGRBH-HNNXBMFYSA-N 2 2 291.395 0.129 20 0 CCADLP CCOC(=O)CC[C@@H](C)NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001258477618 808686393 /nfs/dbraw/zinc/68/63/93/808686393.db2.gz KIGJSWQVMZTYKX-LLVKDONJSA-N 2 2 270.377 0.490 20 0 CCADLP CN(C)C(=O)c1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)[nH]1 ZINC001261482096 808992714 /nfs/dbraw/zinc/99/27/14/808992714.db2.gz ALXOYYBTKFZQOY-SNVBAGLBSA-N 2 2 250.346 0.497 20 0 CCADLP CN(C)C(=O)c1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)[nH]1 ZINC001261482096 808992717 /nfs/dbraw/zinc/99/27/17/808992717.db2.gz ALXOYYBTKFZQOY-SNVBAGLBSA-N 2 2 250.346 0.497 20 0 CCADLP C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001261782220 809087220 /nfs/dbraw/zinc/08/72/20/809087220.db2.gz AAMKSJIODITEEH-GHMZBOCLSA-N 2 2 250.346 0.417 20 0 CCADLP C[NH2+]CCCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001263128883 809453877 /nfs/dbraw/zinc/45/38/77/809453877.db2.gz WEGQEIGKEJPTOK-NSHDSACASA-N 2 2 250.346 0.513 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001263191859 809477043 /nfs/dbraw/zinc/47/70/43/809477043.db2.gz CXGSVBXKOYVXNU-HAQNSBGRSA-N 3 2 268.405 0.043 20 0 CCADLP COCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001265792991 809854768 /nfs/dbraw/zinc/85/47/68/809854768.db2.gz ZHUXKHDZEYBFKA-NWDGAFQWSA-N 2 2 280.372 0.186 20 0 CCADLP C[C@H](F)CC[NH2+][C@@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001265829978 809867494 /nfs/dbraw/zinc/86/74/94/809867494.db2.gz LUHSVFKQMXGFOK-UWVGGRQHSA-N 2 2 256.325 0.795 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[N@H+](C)CCO ZINC001265937254 809899256 /nfs/dbraw/zinc/89/92/56/809899256.db2.gz YGMVORVGECFXJI-LLVKDONJSA-N 2 2 268.361 0.019 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[N@@H+](C)CCO ZINC001265937254 809899261 /nfs/dbraw/zinc/89/92/61/809899261.db2.gz YGMVORVGECFXJI-LLVKDONJSA-N 2 2 268.361 0.019 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[N@H+](C)CCO ZINC001265937254 809899268 /nfs/dbraw/zinc/89/92/68/809899268.db2.gz YGMVORVGECFXJI-LLVKDONJSA-N 2 2 268.361 0.019 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[N@@H+](C)CCO ZINC001265937254 809899272 /nfs/dbraw/zinc/89/92/72/809899272.db2.gz YGMVORVGECFXJI-LLVKDONJSA-N 2 2 268.361 0.019 20 0 CCADLP C[N@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1cnon1 ZINC001265974612 809911251 /nfs/dbraw/zinc/91/12/51/809911251.db2.gz VCRIZQXRKHLAGI-UHFFFAOYSA-N 2 2 281.360 0.104 20 0 CCADLP C[N@@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1cnon1 ZINC001265974612 809911254 /nfs/dbraw/zinc/91/12/54/809911254.db2.gz VCRIZQXRKHLAGI-UHFFFAOYSA-N 2 2 281.360 0.104 20 0 CCADLP CCCn1cncc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000702581574 809928888 /nfs/dbraw/zinc/92/88/88/809928888.db2.gz ZZTJYMLQPWCCFL-CYBMUJFWSA-N 2 2 252.362 0.449 20 0 CCADLP CCCn1cncc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000702581574 809928892 /nfs/dbraw/zinc/92/88/92/809928892.db2.gz ZZTJYMLQPWCCFL-CYBMUJFWSA-N 2 2 252.362 0.449 20 0 CCADLP CC[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)C[C@H]1CCOC1 ZINC001266089452 809934278 /nfs/dbraw/zinc/93/42/78/809934278.db2.gz LRICOHZZOFNYCQ-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP CC[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)C[C@H]1CCOC1 ZINC001266089452 809934281 /nfs/dbraw/zinc/93/42/81/809934281.db2.gz LRICOHZZOFNYCQ-CYBMUJFWSA-N 2 2 294.399 0.817 20 0 CCADLP CCOC(=O)CC[N@H+](C)C[C@@H](O)C[NH+](CC)CC ZINC000394145355 809945678 /nfs/dbraw/zinc/94/56/78/809945678.db2.gz OHMZOESQCXQDTF-GFCCVEGCSA-N 2 2 260.378 0.574 20 0 CCADLP CCOC(=O)CC[N@@H+](C)C[C@@H](O)C[NH+](CC)CC ZINC000394145355 809945682 /nfs/dbraw/zinc/94/56/82/809945682.db2.gz OHMZOESQCXQDTF-GFCCVEGCSA-N 2 2 260.378 0.574 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC=C(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001279660658 809991276 /nfs/dbraw/zinc/99/12/76/809991276.db2.gz GNVPIGAULNWNNK-LBPRGKRZSA-N 2 2 292.383 0.735 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC=C(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001279660658 809991278 /nfs/dbraw/zinc/99/12/78/809991278.db2.gz GNVPIGAULNWNNK-LBPRGKRZSA-N 2 2 292.383 0.735 20 0 CCADLP CO[C@@H]1CCOC[C@H]1[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000724897939 811114951 /nfs/dbraw/zinc/11/49/51/811114951.db2.gz XPEFHXICNQVUAT-WTPNQPAHSA-N 2 2 252.358 0.376 20 0 CCADLP CC[C@H](C(=O)NC1C[NH+]([C@H](C)COC)C1)[NH+](C)C ZINC001267651219 811618341 /nfs/dbraw/zinc/61/83/41/811618341.db2.gz XEPBMQCZQRGCHS-ZYHUDNBSSA-N 2 2 257.378 0.162 20 0 CCADLP C[C@H](C(=O)NC[C@H]1C[NH2+]C[C@H](C)C1)n1cc[nH+]c1 ZINC001219642336 811692515 /nfs/dbraw/zinc/69/25/15/811692515.db2.gz RZJAFVCXABYRCT-IJLUTSLNSA-N 2 2 250.346 0.806 20 0 CCADLP CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC001077260506 815468954 /nfs/dbraw/zinc/46/89/54/815468954.db2.gz JRAAWASYEHOATC-ZLKJLUDKSA-N 2 2 292.383 0.004 20 0 CCADLP Cc1cnc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)nc1 ZINC000692537859 811724112 /nfs/dbraw/zinc/72/41/12/811724112.db2.gz TXEDTUPSWHKKSC-CYBMUJFWSA-N 2 2 261.373 0.265 20 0 CCADLP Cc1cnc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)nc1 ZINC000692537859 811724118 /nfs/dbraw/zinc/72/41/18/811724118.db2.gz TXEDTUPSWHKKSC-CYBMUJFWSA-N 2 2 261.373 0.265 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H](C[NH2+]CC2CC2)C1 ZINC001027171430 811970051 /nfs/dbraw/zinc/97/00/51/811970051.db2.gz ZKEZJBGTEBLLQQ-ZDUSSCGKSA-N 2 2 276.384 0.811 20 0 CCADLP COCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001268070060 812184871 /nfs/dbraw/zinc/18/48/71/812184871.db2.gz CEKDHUYVCNLYPK-QWHCGFSZSA-N 2 2 294.399 0.528 20 0 CCADLP O=C(NC[C@@H]1CCC[N@H+]1CCO)[C@@H]1CCn2cc[nH+]c2C1 ZINC001027981561 812191156 /nfs/dbraw/zinc/19/11/56/812191156.db2.gz NSHOVFWHDKMANH-OLZOCXBDSA-N 2 2 292.383 0.018 20 0 CCADLP O=C(NC[C@@H]1CCC[N@@H+]1CCO)[C@@H]1CCn2cc[nH+]c2C1 ZINC001027981561 812191163 /nfs/dbraw/zinc/19/11/63/812191163.db2.gz NSHOVFWHDKMANH-OLZOCXBDSA-N 2 2 292.383 0.018 20 0 CCADLP c1cn2c([nH+]1)CC[N@H+](Cc1cn3ccncc3n1)CC2 ZINC001139699314 812303297 /nfs/dbraw/zinc/30/32/97/812303297.db2.gz SYCWXGXGLORUAF-UHFFFAOYSA-N 2 2 268.324 0.984 20 0 CCADLP c1cn2c([nH+]1)CC[N@@H+](Cc1cn3ccncc3n1)CC2 ZINC001139699314 812303308 /nfs/dbraw/zinc/30/33/08/812303308.db2.gz SYCWXGXGLORUAF-UHFFFAOYSA-N 2 2 268.324 0.984 20 0 CCADLP C[C@H](CC[NH2+]CC1CCOCC1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001268412340 812555172 /nfs/dbraw/zinc/55/51/72/812555172.db2.gz YKAVPFYQXFFZGS-GFCCVEGCSA-N 2 2 294.399 0.863 20 0 CCADLP [NH2+]=C(Nc1c[nH+]ccc1N1CCOCC1)SCC[NH3+] ZINC001167914739 812595563 /nfs/dbraw/zinc/59/55/63/812595563.db2.gz PGRYZJPQVZTKOY-UHFFFAOYSA-N 3 2 281.385 0.957 20 0 CCADLP CCN(CC[NH2+]CCO)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001268484794 812661226 /nfs/dbraw/zinc/66/12/26/812661226.db2.gz KYJCEYNWODMHCL-NSHDSACASA-N 2 2 268.361 0.019 20 0 CCADLP CCN(CC[NH2+]CCO)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001268484794 812661231 /nfs/dbraw/zinc/66/12/31/812661231.db2.gz KYJCEYNWODMHCL-NSHDSACASA-N 2 2 268.361 0.019 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1c1nc(-c2cccnc2OC(F)F)no1 ZINC001211757806 812688369 /nfs/dbraw/zinc/68/83/69/812688369.db2.gz RNLGBXLNDNJNGI-YUMQZZPRSA-N 2 2 297.265 0.747 20 0 CCADLP O[C@H]1COCC[N@@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168373361 815571208 /nfs/dbraw/zinc/57/12/08/815571208.db2.gz POPYAAUXHHZDIV-CQSZACIVSA-N 2 2 254.374 0.554 20 0 CCADLP O[C@H]1COCC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168373361 815571210 /nfs/dbraw/zinc/57/12/10/815571210.db2.gz POPYAAUXHHZDIV-CQSZACIVSA-N 2 2 254.374 0.554 20 0 CCADLP COc1cccc(C[C@H]([NH3+])C(=O)N2CC3(CC[N@@H+]3C)C2)c1 ZINC001269336157 813330027 /nfs/dbraw/zinc/33/00/27/813330027.db2.gz CYIGSCJMGBJKHE-AWEZNQCLSA-N 2 2 289.379 0.482 20 0 CCADLP COc1cccc(C[C@H]([NH3+])C(=O)N2CC3(CC[N@H+]3C)C2)c1 ZINC001269336157 813330033 /nfs/dbraw/zinc/33/00/33/813330033.db2.gz CYIGSCJMGBJKHE-AWEZNQCLSA-N 2 2 289.379 0.482 20 0 CCADLP O=C(NCC1([NH2+]CCCO)CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001269436756 813371460 /nfs/dbraw/zinc/37/14/60/813371460.db2.gz APOPDARGCOSNRL-LBPRGKRZSA-N 2 2 292.383 0.066 20 0 CCADLP COCCC[NH2+]C[C@@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001270065882 813611507 /nfs/dbraw/zinc/61/15/07/813611507.db2.gz ACRZYBNGNGPNPP-AWEZNQCLSA-N 2 2 294.399 0.959 20 0 CCADLP COCCC[NH2+]C[C@@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001270065882 813611516 /nfs/dbraw/zinc/61/15/16/813611516.db2.gz ACRZYBNGNGPNPP-AWEZNQCLSA-N 2 2 294.399 0.959 20 0 CCADLP CC[NH2+]C1CCC(NC(=O)Cn2cc[nH+]c2)CC1 ZINC000721773466 813712703 /nfs/dbraw/zinc/71/27/03/813712703.db2.gz QLTZHMRXSDQYGS-UHFFFAOYSA-N 2 2 250.346 0.920 20 0 CCADLP O=C1[C@H]([N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CCN1C1CCOCC1 ZINC000428030892 813732911 /nfs/dbraw/zinc/73/29/11/813732911.db2.gz FQRNJKHJEAHDSA-NWANDNLSSA-N 2 2 293.411 0.450 20 0 CCADLP O=C1[C@H]([N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CCN1C1CCOCC1 ZINC000428030892 813732912 /nfs/dbraw/zinc/73/29/12/813732912.db2.gz FQRNJKHJEAHDSA-NWANDNLSSA-N 2 2 293.411 0.450 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]CCF ZINC001270568713 813818281 /nfs/dbraw/zinc/81/82/81/813818281.db2.gz PEJTYKIYOPTZQB-SNVBAGLBSA-N 2 2 256.325 0.274 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)C[NH+](Cc2cn[nH]c2)C3)C1 ZINC001271223393 814341675 /nfs/dbraw/zinc/34/16/75/814341675.db2.gz QRQNIEJIEJOMSL-ZDUSSCGKSA-N 2 2 289.383 0.006 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)N2CC3(C2)C[NH+](Cc2cn[nH]c2)C3)C1 ZINC001271223393 814341681 /nfs/dbraw/zinc/34/16/81/814341681.db2.gz QRQNIEJIEJOMSL-ZDUSSCGKSA-N 2 2 289.383 0.006 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)C[NH+](Cc2ccc[nH]2)C3)C1 ZINC001271222644 814341941 /nfs/dbraw/zinc/34/19/41/814341941.db2.gz CHGJTMGHRKGQHM-CYBMUJFWSA-N 2 2 288.395 0.611 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)C[NH+](Cc2ccc[nH]2)C3)C1 ZINC001271222644 814341948 /nfs/dbraw/zinc/34/19/48/814341948.db2.gz CHGJTMGHRKGQHM-CYBMUJFWSA-N 2 2 288.395 0.611 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001088151851 814428354 /nfs/dbraw/zinc/42/83/54/814428354.db2.gz XJFSFKFUAZUVLP-UPJWGTAASA-N 2 2 292.383 0.113 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001088151851 814428359 /nfs/dbraw/zinc/42/83/59/814428359.db2.gz XJFSFKFUAZUVLP-UPJWGTAASA-N 2 2 292.383 0.113 20 0 CCADLP C[C@H]1C[C@@H](n2c[nH+]cc2CCNC(=O)CC[NH3+])CCO1 ZINC001168091042 814628384 /nfs/dbraw/zinc/62/83/84/814628384.db2.gz IRCDIYJCBWJCID-RYUDHWBXSA-N 2 2 280.372 0.631 20 0 CCADLP CC(=O)NC1CC[NH+](C[C@@H]2C[NH2+]C(C)(C)O2)CC1 ZINC001204691471 814684026 /nfs/dbraw/zinc/68/40/26/814684026.db2.gz GPUMGWUTFOHONR-LBPRGKRZSA-N 2 2 255.362 0.311 20 0 CCADLP C[C@H]1C[C@@H]([NH+]2CCN(CC[NH+]3CCOCC3)CC2)CCO1 ZINC001168127860 814704300 /nfs/dbraw/zinc/70/43/00/814704300.db2.gz JJRBXVUAHCRJEQ-HOTGVXAUSA-N 2 2 297.443 0.504 20 0 CCADLP CC[C@@H](C)C[NH+]1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001030180562 815871332 /nfs/dbraw/zinc/87/13/32/815871332.db2.gz SCEMRAZQHFOOJB-DGCLKSJQSA-N 2 2 269.389 0.164 20 0 CCADLP CC[C@@H](C)C[NH+]1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001030180562 815871342 /nfs/dbraw/zinc/87/13/42/815871342.db2.gz SCEMRAZQHFOOJB-DGCLKSJQSA-N 2 2 269.389 0.164 20 0 CCADLP CC[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001030441556 816040682 /nfs/dbraw/zinc/04/06/82/816040682.db2.gz YVNKQXVLNMJLJX-AWEZNQCLSA-N 2 2 281.400 0.450 20 0 CCADLP CC[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001030441556 816040689 /nfs/dbraw/zinc/04/06/89/816040689.db2.gz YVNKQXVLNMJLJX-AWEZNQCLSA-N 2 2 281.400 0.450 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CCCF ZINC001089074292 816235680 /nfs/dbraw/zinc/23/56/80/816235680.db2.gz XZIDMVRFJAROLK-NEPJUHHUSA-N 2 2 268.336 0.822 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CCCF ZINC001089074292 816235684 /nfs/dbraw/zinc/23/56/84/816235684.db2.gz XZIDMVRFJAROLK-NEPJUHHUSA-N 2 2 268.336 0.822 20 0 CCADLP CCC[N@@H+]1CCC[C@H](C(=O)NC2C[NH+](C[C@@H](C)O)C2)C1 ZINC001030826374 816321254 /nfs/dbraw/zinc/32/12/54/816321254.db2.gz YADRIRMGOLDQHT-OLZOCXBDSA-N 2 2 283.416 0.290 20 0 CCADLP CCC[N@H+]1CCC[C@H](C(=O)NC2C[NH+](C[C@@H](C)O)C2)C1 ZINC001030826374 816321263 /nfs/dbraw/zinc/32/12/63/816321263.db2.gz YADRIRMGOLDQHT-OLZOCXBDSA-N 2 2 283.416 0.290 20 0 CCADLP Cn1c[nH+]cc1CN1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001030887864 816394620 /nfs/dbraw/zinc/39/46/20/816394620.db2.gz HSHCBYUMZVXCBW-UHFFFAOYSA-N 2 2 291.399 0.062 20 0 CCADLP COC[C@H](C)[NH+]1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001030893047 816402523 /nfs/dbraw/zinc/40/25/23/816402523.db2.gz QKQAYFBIQYYZBA-NSHDSACASA-N 2 2 269.389 0.164 20 0 CCADLP CC[N@@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001272437630 816428095 /nfs/dbraw/zinc/42/80/95/816428095.db2.gz NNKRUASVZKKMIC-CQSZACIVSA-N 2 2 278.356 0.206 20 0 CCADLP CC[N@H+]1CC[C@@]2(C1)CN(CCn1cc[nH+]c1)C(=O)CO2 ZINC001272437630 816428097 /nfs/dbraw/zinc/42/80/97/816428097.db2.gz NNKRUASVZKKMIC-CQSZACIVSA-N 2 2 278.356 0.206 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001030958335 816502434 /nfs/dbraw/zinc/50/24/34/816502434.db2.gz IWDKODPUTAQVJN-NWDGAFQWSA-N 2 2 269.389 0.164 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001030958335 816502441 /nfs/dbraw/zinc/50/24/41/816502441.db2.gz IWDKODPUTAQVJN-NWDGAFQWSA-N 2 2 269.389 0.164 20 0 CCADLP COCC[C@H]1C[NH2+]CCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001122403550 816682890 /nfs/dbraw/zinc/68/28/90/816682890.db2.gz WFUAFAXTRYYWSF-NSHDSACASA-N 2 2 266.345 0.098 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001106799805 816919774 /nfs/dbraw/zinc/91/97/74/816919774.db2.gz SJFWKCAPTIZPGU-JHJVBQTASA-N 2 2 294.399 0.671 20 0 CCADLP COCCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001106799898 816920365 /nfs/dbraw/zinc/92/03/65/816920365.db2.gz WFPJSHATJNIRQV-CHWSQXEVSA-N 2 2 294.399 0.673 20 0 CCADLP COCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001106874742 816972731 /nfs/dbraw/zinc/97/27/31/816972731.db2.gz RONNTLCOCGGLDF-CHWSQXEVSA-N 2 2 294.399 0.293 20 0 CCADLP COc1ccc(OC)c([C@H](O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000916742070 816988219 /nfs/dbraw/zinc/98/82/19/816988219.db2.gz RANFLVMWEQBKGZ-TYNCELHUSA-N 2 2 292.379 0.888 20 0 CCADLP COc1ccc(OC)c([C@H](O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000916742070 816988221 /nfs/dbraw/zinc/98/82/21/816988221.db2.gz RANFLVMWEQBKGZ-TYNCELHUSA-N 2 2 292.379 0.888 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC1C[NH+](CC2CCC2)C1 ZINC001031390738 817025060 /nfs/dbraw/zinc/02/50/60/817025060.db2.gz WAUBOGPCLZNRSF-UHFFFAOYSA-N 2 2 262.357 0.792 20 0 CCADLP CC(C)=CC[NH+]1CC(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001031390488 817025695 /nfs/dbraw/zinc/02/56/95/817025695.db2.gz OUWVBYCRJKQDSS-UHFFFAOYSA-N 2 2 262.357 0.958 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)NC2C[NH+](CC3CCCC3)C2)C1 ZINC001031415420 817041343 /nfs/dbraw/zinc/04/13/43/817041343.db2.gz VUSWOIKXPZIRTQ-HNNXBMFYSA-N 2 2 295.427 0.698 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)NC2C[NH+](CC3CCCC3)C2)C1 ZINC001031415420 817041351 /nfs/dbraw/zinc/04/13/51/817041351.db2.gz VUSWOIKXPZIRTQ-HNNXBMFYSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+](C)Cc1cccc(C(=O)NC2C[NH+](CCCO)C2)c1 ZINC001031433623 817052581 /nfs/dbraw/zinc/05/25/81/817052581.db2.gz NYFFLQBVDHRFAA-UHFFFAOYSA-N 2 2 291.395 0.545 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](CC2CCSCC2)C[C@H]1[NH3+] ZINC001236341931 817267130 /nfs/dbraw/zinc/26/71/30/817267130.db2.gz LZFIOTRIHAVNHL-GHMZBOCLSA-N 2 2 258.387 0.562 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](CC2CCSCC2)C[C@H]1[NH3+] ZINC001236341931 817267137 /nfs/dbraw/zinc/26/71/37/817267137.db2.gz LZFIOTRIHAVNHL-GHMZBOCLSA-N 2 2 258.387 0.562 20 0 CCADLP COCC[NH+]1CC(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001031783601 817365120 /nfs/dbraw/zinc/36/51/20/817365120.db2.gz CMAXZOYOEOHSLW-CYBMUJFWSA-N 2 2 292.383 0.140 20 0 CCADLP CC(C)[NH+]1CC(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001031783744 817365638 /nfs/dbraw/zinc/36/56/38/817365638.db2.gz FRBKHXOUQOEANL-ZDUSSCGKSA-N 2 2 276.384 0.902 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CC1 ZINC001032815038 818040919 /nfs/dbraw/zinc/04/09/19/818040919.db2.gz WMXBXKFHRKMJJY-KBPBESRZSA-N 2 2 274.368 0.968 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CC1 ZINC001032815038 818040928 /nfs/dbraw/zinc/04/09/28/818040928.db2.gz WMXBXKFHRKMJJY-KBPBESRZSA-N 2 2 274.368 0.968 20 0 CCADLP COc1cnc(NCC[NH+]2CCC([NH3+])CC2)nc1OC ZINC001161867196 818498776 /nfs/dbraw/zinc/49/87/76/818498776.db2.gz DORICSRUKUSYCP-UHFFFAOYSA-N 2 2 281.360 0.329 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2ccnc(N3CCCC3)n2)CC1 ZINC001168736089 818542504 /nfs/dbraw/zinc/54/25/04/818542504.db2.gz YRLIJBRKYLJYNM-UHFFFAOYSA-N 2 2 289.387 0.671 20 0 CCADLP CN1Cc2c(cccc2NC(=[NH2+])N2CC[NH+](C)CC2)C1=O ZINC001168737018 818554471 /nfs/dbraw/zinc/55/44/71/818554471.db2.gz UEHZLKPWLXERFO-UHFFFAOYSA-N 2 2 287.367 0.866 20 0 CCADLP COCc1cc(NC(=[NH2+])N2CC[NH+](C)CC2)ncn1 ZINC001168737282 818562401 /nfs/dbraw/zinc/56/24/01/818562401.db2.gz YSFSZUYHANOYLF-UHFFFAOYSA-N 2 2 264.333 0.217 20 0 CCADLP CC(C)Cn1cc(NC(=[NH2+])N2CC[NH+](C)CC2)ncc1=O ZINC001168740028 818594566 /nfs/dbraw/zinc/59/45/66/818594566.db2.gz BCOBGWPJIGXAQV-UHFFFAOYSA-N 2 2 292.387 0.493 20 0 CCADLP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](CCF)C1 ZINC001033199698 818639806 /nfs/dbraw/zinc/63/98/06/818639806.db2.gz WUUVQVXUHNMTPB-CHWSQXEVSA-N 2 2 271.380 0.973 20 0 CCADLP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](CCF)C1 ZINC001033199698 818639808 /nfs/dbraw/zinc/63/98/08/818639808.db2.gz WUUVQVXUHNMTPB-CHWSQXEVSA-N 2 2 271.380 0.973 20 0 CCADLP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](CCF)C1 ZINC001033199698 818639813 /nfs/dbraw/zinc/63/98/13/818639813.db2.gz WUUVQVXUHNMTPB-CHWSQXEVSA-N 2 2 271.380 0.973 20 0 CCADLP CN(C(=O)[C@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](CCF)C1 ZINC001033199698 818639816 /nfs/dbraw/zinc/63/98/16/818639816.db2.gz WUUVQVXUHNMTPB-CHWSQXEVSA-N 2 2 271.380 0.973 20 0 CCADLP CN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)[C@H]1CC[N@H+](CCO)C1 ZINC001033417362 818763662 /nfs/dbraw/zinc/76/36/62/818763662.db2.gz UDHZEPJREGARRU-RYUDHWBXSA-N 2 2 292.383 0.355 20 0 CCADLP CN(C(=O)[C@H]1CCCc2[nH+]c[nH]c21)[C@H]1CC[N@@H+](CCO)C1 ZINC001033417362 818763665 /nfs/dbraw/zinc/76/36/65/818763665.db2.gz UDHZEPJREGARRU-RYUDHWBXSA-N 2 2 292.383 0.355 20 0 CCADLP COCC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033452307 818784573 /nfs/dbraw/zinc/78/45/73/818784573.db2.gz JFGPHEXXBSGDFH-GFCCVEGCSA-N 2 2 266.345 0.131 20 0 CCADLP COCC[N@H+]1CC[C@@H](N(C)C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001033452307 818784578 /nfs/dbraw/zinc/78/45/78/818784578.db2.gz JFGPHEXXBSGDFH-GFCCVEGCSA-N 2 2 266.345 0.131 20 0 CCADLP COC(=O)N1CCC([NH2+]C[C@H]2CCC[N@@H+]2C)CC1 ZINC000701627081 818982326 /nfs/dbraw/zinc/98/23/26/818982326.db2.gz JNJBLMOBSHSUEW-GFCCVEGCSA-N 2 2 255.362 0.901 20 0 CCADLP COC(=O)N1CCC([NH2+]C[C@H]2CCC[N@H+]2C)CC1 ZINC000701627081 818982328 /nfs/dbraw/zinc/98/23/28/818982328.db2.gz JNJBLMOBSHSUEW-GFCCVEGCSA-N 2 2 255.362 0.901 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[N@@H+](C[C@@H](C)O)C1 ZINC001034502750 819224549 /nfs/dbraw/zinc/22/45/49/819224549.db2.gz IASXULXDIOYXFF-YPMHNXCESA-N 2 2 294.399 0.612 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCCC[N@H+](C[C@@H](C)O)C1 ZINC001034502750 819224555 /nfs/dbraw/zinc/22/45/55/819224555.db2.gz IASXULXDIOYXFF-YPMHNXCESA-N 2 2 294.399 0.612 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+]CCC1CC1 ZINC001128967088 819234902 /nfs/dbraw/zinc/23/49/02/819234902.db2.gz ATZRDCQLKSYXAF-UHFFFAOYSA-N 2 2 250.346 0.848 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC[NH2+]CCC1CC1 ZINC001128967088 819234908 /nfs/dbraw/zinc/23/49/08/819234908.db2.gz ATZRDCQLKSYXAF-UHFFFAOYSA-N 2 2 250.346 0.848 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCC[NH2+]CCOCC(F)F ZINC001128967278 819237387 /nfs/dbraw/zinc/23/73/87/819237387.db2.gz JDMBZKXRKIBHLD-UHFFFAOYSA-N 2 2 290.314 0.330 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCC[NH2+]CCOCC(F)F ZINC001128967278 819237391 /nfs/dbraw/zinc/23/73/91/819237391.db2.gz JDMBZKXRKIBHLD-UHFFFAOYSA-N 2 2 290.314 0.330 20 0 CCADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(N)nn3)CC[C@@H]21 ZINC000703949321 819339867 /nfs/dbraw/zinc/33/98/67/819339867.db2.gz GDGSHLBFPSTXMT-YPMHNXCESA-N 2 2 261.373 0.975 20 0 CCADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(N)nn3)CC[C@@H]21 ZINC000703949321 819339871 /nfs/dbraw/zinc/33/98/71/819339871.db2.gz GDGSHLBFPSTXMT-YPMHNXCESA-N 2 2 261.373 0.975 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(N)nn3)CC[C@@H]21 ZINC000703949321 819339876 /nfs/dbraw/zinc/33/98/76/819339876.db2.gz GDGSHLBFPSTXMT-YPMHNXCESA-N 2 2 261.373 0.975 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(N)nn3)CC[C@@H]21 ZINC000703949321 819339884 /nfs/dbraw/zinc/33/98/84/819339884.db2.gz GDGSHLBFPSTXMT-YPMHNXCESA-N 2 2 261.373 0.975 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCF)CCO1 ZINC001035314037 819465829 /nfs/dbraw/zinc/46/58/29/819465829.db2.gz UIFSDHFFSXELRP-OLZOCXBDSA-N 2 2 287.379 0.257 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCF)CCO1 ZINC001035314037 819465831 /nfs/dbraw/zinc/46/58/31/819465831.db2.gz UIFSDHFFSXELRP-OLZOCXBDSA-N 2 2 287.379 0.257 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCCF)CCO1 ZINC001035314037 819465836 /nfs/dbraw/zinc/46/58/36/819465836.db2.gz UIFSDHFFSXELRP-OLZOCXBDSA-N 2 2 287.379 0.257 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCCF)CCO1 ZINC001035314037 819465840 /nfs/dbraw/zinc/46/58/40/819465840.db2.gz UIFSDHFFSXELRP-OLZOCXBDSA-N 2 2 287.379 0.257 20 0 CCADLP C[C@]1(C[N@@H+]2CCC[C@H](NS(C)(=O)=O)C2)CCC[NH2+]C1 ZINC000705602148 819529291 /nfs/dbraw/zinc/52/92/91/819529291.db2.gz PVCUUFCIEAZYTI-STQMWFEESA-N 2 2 289.445 0.390 20 0 CCADLP C[C@]1(C[N@H+]2CCC[C@H](NS(C)(=O)=O)C2)CCC[NH2+]C1 ZINC000705602148 819529292 /nfs/dbraw/zinc/52/92/92/819529292.db2.gz PVCUUFCIEAZYTI-STQMWFEESA-N 2 2 289.445 0.390 20 0 CCADLP CC[N@@H+]1CCO[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001035487107 819534997 /nfs/dbraw/zinc/53/49/97/819534997.db2.gz IXLHRRXBHCVQCJ-ZDUSSCGKSA-N 2 2 295.383 0.792 20 0 CCADLP CC[N@H+]1CCO[C@@H](CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001035487107 819535003 /nfs/dbraw/zinc/53/50/03/819535003.db2.gz IXLHRRXBHCVQCJ-ZDUSSCGKSA-N 2 2 295.383 0.792 20 0 CCADLP CCOC[C@H](O)C[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000705666562 819548204 /nfs/dbraw/zinc/54/82/04/819548204.db2.gz HOIRDKYYFSPVAS-MGPQQGTHSA-N 2 2 256.390 0.657 20 0 CCADLP CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001036268185 819716885 /nfs/dbraw/zinc/71/68/85/819716885.db2.gz RFPVEVDPUHVSBA-YPMHNXCESA-N 2 2 264.373 0.809 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@@H]2[C@H](CC[N@H+]2CCO)C1 ZINC001036701787 820048879 /nfs/dbraw/zinc/04/88/79/820048879.db2.gz CMLWFDHNIPEZFW-CHWSQXEVSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N1CC[C@@H]2[C@H](CC[N@@H+]2CCO)C1 ZINC001036701787 820048886 /nfs/dbraw/zinc/04/88/86/820048886.db2.gz CMLWFDHNIPEZFW-CHWSQXEVSA-N 2 2 292.383 0.257 20 0 CCADLP CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](O)C1 ZINC001090356931 820293700 /nfs/dbraw/zinc/29/37/00/820293700.db2.gz ZRKGKUZJINDJKH-OLZOCXBDSA-N 2 2 294.399 0.498 20 0 CCADLP CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](O)C1 ZINC001090356931 820293711 /nfs/dbraw/zinc/29/37/11/820293711.db2.gz ZRKGKUZJINDJKH-OLZOCXBDSA-N 2 2 294.399 0.498 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@H+](C[C@H](C)O)C[C@H]1C ZINC001080852416 820645935 /nfs/dbraw/zinc/64/59/35/820645935.db2.gz CBGYDKZLIZMFRO-GBIKHYSHSA-N 2 2 280.372 0.078 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)O)C[C@H]1C ZINC001080852416 820645942 /nfs/dbraw/zinc/64/59/42/820645942.db2.gz CBGYDKZLIZMFRO-GBIKHYSHSA-N 2 2 280.372 0.078 20 0 CCADLP CO[C@@H](C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001081037108 820672054 /nfs/dbraw/zinc/67/20/54/820672054.db2.gz WFVHZYSFYKQYNL-FRRDWIJNSA-N 2 2 280.372 0.355 20 0 CCADLP CO[C@@H](C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001081037108 820672060 /nfs/dbraw/zinc/67/20/60/820672060.db2.gz WFVHZYSFYKQYNL-FRRDWIJNSA-N 2 2 280.372 0.355 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC)C1 ZINC001082664174 821014232 /nfs/dbraw/zinc/01/42/32/821014232.db2.gz ZFIFJTABJMPEOK-KFWWJZLASA-N 2 2 297.443 0.944 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC)C1 ZINC001082664174 821014240 /nfs/dbraw/zinc/01/42/40/821014240.db2.gz ZFIFJTABJMPEOK-KFWWJZLASA-N 2 2 297.443 0.944 20 0 CCADLP CCN(CC[NH2+]Cc1ncccn1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001273298779 821572881 /nfs/dbraw/zinc/57/28/81/821572881.db2.gz XXVUALLRRYUHCG-CYBMUJFWSA-N 2 2 291.399 0.509 20 0 CCADLP CCN(CC[NH2+]Cc1ncccn1)C(=O)[C@H]1CCC[N@H+]1C ZINC001273298779 821572888 /nfs/dbraw/zinc/57/28/88/821572888.db2.gz XXVUALLRRYUHCG-CYBMUJFWSA-N 2 2 291.399 0.509 20 0 CCADLP CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001085676547 821886464 /nfs/dbraw/zinc/88/64/64/821886464.db2.gz SDOMCMYYBAPGHH-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001085676547 821886470 /nfs/dbraw/zinc/88/64/70/821886470.db2.gz SDOMCMYYBAPGHH-STQMWFEESA-N 2 2 276.384 0.998 20 0 CCADLP COC[C@@H]([NH3+])Cc1cn(CCCn2cc[nH+]c2)nn1 ZINC000716359674 822132191 /nfs/dbraw/zinc/13/21/91/822132191.db2.gz OJERIDSHIHMXJN-NSHDSACASA-N 2 2 264.333 0.081 20 0 CCADLP COC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH]cc[nH+]1 ZINC001114213318 837474980 /nfs/dbraw/zinc/47/49/80/837474980.db2.gz YPUGVQJMWHQYMZ-FJJYHAOUSA-N 2 2 292.383 0.424 20 0 CCADLP COC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1[nH]cc[nH+]1 ZINC001114213318 837474986 /nfs/dbraw/zinc/47/49/86/837474986.db2.gz YPUGVQJMWHQYMZ-FJJYHAOUSA-N 2 2 292.383 0.424 20 0 CCADLP O=C(NCC[NH2+]Cc1cccnc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129897987 837582141 /nfs/dbraw/zinc/58/21/41/837582141.db2.gz XGAOWHSZQACGJJ-CHWSQXEVSA-N 2 2 285.351 0.814 20 0 CCADLP CCc1nnc([C@H](C)[NH2+]CCNC(=O)[C@@H](CC)[NH+](C)C)o1 ZINC001130205655 837727311 /nfs/dbraw/zinc/72/73/11/837727311.db2.gz RIUMGWDJYHMFKA-WDEREUQCSA-N 2 2 297.403 0.739 20 0 CCADLP CC[C@H](C(=O)NCC[NH2+][C@@H](C)c1nnc(C)o1)[NH+](C)C ZINC001130205707 837728242 /nfs/dbraw/zinc/72/82/42/837728242.db2.gz SYKYKXBEGWIWMY-GXSJLCMTSA-N 2 2 283.376 0.485 20 0 CCADLP O=C(NCC[NH2+]CCn1cccn1)c1cc2c[nH+]ccc2[nH]1 ZINC001130269118 837746046 /nfs/dbraw/zinc/74/60/46/837746046.db2.gz ZPQRCAVDJURTFN-UHFFFAOYSA-N 2 2 298.350 0.779 20 0 CCADLP C[C@H](O)CCC[NH2+]CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001130405128 837785640 /nfs/dbraw/zinc/78/56/40/837785640.db2.gz XWRLRIXCNOCODV-QWHCGFSZSA-N 2 2 294.399 0.312 20 0 CCADLP O=C(NCC[NH2+]C/C=C\Cl)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130485075 837807014 /nfs/dbraw/zinc/80/70/14/837807014.db2.gz ZUSAKBCQDAAQQO-NNRVYMOVSA-N 2 2 282.775 0.904 20 0 CCADLP C[NH+](C)C1(C)CN(C(=O)CCc2ccc(N)[nH+]c2)C1 ZINC001183933802 844112729 /nfs/dbraw/zinc/11/27/29/844112729.db2.gz TVXSIEUMBYQACD-UHFFFAOYSA-N 2 2 262.357 0.759 20 0 CCADLP Nc1ccc(CCC(=O)N2CC[N@@H+]3CC[C@H]3C2)c[nH+]1 ZINC001183935933 844114241 /nfs/dbraw/zinc/11/42/41/844114241.db2.gz LQQUAAOUPGRWKL-LBPRGKRZSA-N 2 2 260.341 0.513 20 0 CCADLP Nc1ccc(CCC(=O)N2CC[N@H+]3CC[C@H]3C2)c[nH+]1 ZINC001183935933 844114244 /nfs/dbraw/zinc/11/42/44/844114244.db2.gz LQQUAAOUPGRWKL-LBPRGKRZSA-N 2 2 260.341 0.513 20 0 CCADLP C[C@H]1C[C@H]([NH2+][C@@H]2COC[C@H]2[NH3+])CN1C(=O)OC(C)(C)C ZINC001168813599 836010544 /nfs/dbraw/zinc/01/05/44/836010544.db2.gz VDUXCNCGTAXVAJ-NNYUYHANSA-N 2 2 285.388 0.700 20 0 CCADLP Cc1cnc(C[NH3+])n1-c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001169028599 836105531 /nfs/dbraw/zinc/10/55/31/836105531.db2.gz NAFDYXZTYPQUGS-UHFFFAOYSA-N 3 2 282.351 0.974 20 0 CCADLP Cn1cnc2ccc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)nc21 ZINC001169072514 836125620 /nfs/dbraw/zinc/12/56/20/836125620.db2.gz UUVRTOBEUMKZSU-SECBINFHSA-N 2 2 272.312 0.016 20 0 CCADLP Cc1nc(C)c(F)c(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001169072441 836125630 /nfs/dbraw/zinc/12/56/30/836125630.db2.gz NVNDRRQNZDDYKK-SECBINFHSA-N 2 2 265.292 0.280 20 0 CCADLP Nc1ccc(Cl)nc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169071461 836125784 /nfs/dbraw/zinc/12/57/84/836125784.db2.gz FNEPEPDKJBUQMD-SSDOTTSWSA-N 2 2 267.720 0.365 20 0 CCADLP Cc1cnc2ncc(-n3c[nH+]cc3C[C@@H]([NH3+])CO)cc2n1 ZINC001169073215 836126663 /nfs/dbraw/zinc/12/66/63/836126663.db2.gz CWOLJHSABBGPBU-SNVBAGLBSA-N 2 2 284.323 0.381 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ccc(-n2ccnc2)nc1 ZINC001169074310 836126706 /nfs/dbraw/zinc/12/67/06/836126706.db2.gz JKOHEMDDQFVSHH-LLVKDONJSA-N 2 2 284.323 0.315 20 0 CCADLP [NH3+]CCc1ccccc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169075738 836130864 /nfs/dbraw/zinc/13/08/64/836130864.db2.gz WVLLSAXKEMNNMB-GFCCVEGCSA-N 3 2 260.341 0.236 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1C[C@@H](S(C)(=O)=O)C1)C2 ZINC001169099790 836132351 /nfs/dbraw/zinc/13/23/51/836132351.db2.gz VVRRVKPUCBSFIM-HALBRFILSA-N 2 2 272.414 0.777 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1C[C@@H](S(C)(=O)=O)C1)C2 ZINC001169099790 836132353 /nfs/dbraw/zinc/13/23/53/836132353.db2.gz VVRRVKPUCBSFIM-HALBRFILSA-N 2 2 272.414 0.777 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1c[nH+]cc1C[C@@H]([NH3+])CO)C2 ZINC001169100489 836133149 /nfs/dbraw/zinc/13/31/49/836133149.db2.gz JWYPROLQUAWJDB-FVCCEPFGSA-N 3 2 264.373 0.543 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1c[nH+]cc1C[C@@H]([NH3+])CO)C2 ZINC001169100489 836133152 /nfs/dbraw/zinc/13/31/52/836133152.db2.gz JWYPROLQUAWJDB-FVCCEPFGSA-N 3 2 264.373 0.543 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCC[C@@H]1C(N)=O)C2 ZINC001169140180 836151983 /nfs/dbraw/zinc/15/19/83/836151983.db2.gz IJHQXIHXUGOESY-YVECIDJPSA-N 2 2 251.374 0.951 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCC[C@@H]1C(N)=O)C2 ZINC001169140180 836151988 /nfs/dbraw/zinc/15/19/88/836151988.db2.gz IJHQXIHXUGOESY-YVECIDJPSA-N 2 2 251.374 0.951 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCC[C@@H]1C(N)=O)C2 ZINC001169140180 836151995 /nfs/dbraw/zinc/15/19/95/836151995.db2.gz IJHQXIHXUGOESY-YVECIDJPSA-N 2 2 251.374 0.951 20 0 CCADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCC[C@@H]1C(N)=O)C2 ZINC001169140180 836151999 /nfs/dbraw/zinc/15/19/99/836151999.db2.gz IJHQXIHXUGOESY-YVECIDJPSA-N 2 2 251.374 0.951 20 0 CCADLP CCc1nocc1C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169205232 836168545 /nfs/dbraw/zinc/16/85/45/836168545.db2.gz VQHPIALEHZVYSC-UHFFFAOYSA-N 2 2 291.355 0.799 20 0 CCADLP CC[NH+]1CCC(n2cnc(C[C@@H]([NH3+])C(=O)OC)c2)CC1 ZINC001169244121 836173002 /nfs/dbraw/zinc/17/30/02/836173002.db2.gz BTGVZLXHTNMDIB-CYBMUJFWSA-N 2 2 280.372 0.583 20 0 CCADLP CC[NH+]1CCC(N2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC001169255894 836177000 /nfs/dbraw/zinc/17/70/00/836177000.db2.gz VPZTWVBSJNSMJL-UHFFFAOYSA-N 2 2 282.432 0.177 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNc1ccc(N2CC[NH2+]CC2)nc1 ZINC001169652673 836407448 /nfs/dbraw/zinc/40/74/48/836407448.db2.gz AKYCFMFRZDDKGY-AWEZNQCLSA-N 2 2 291.399 0.234 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNc1ccc(N2CC[NH2+]CC2)nc1 ZINC001169652673 836407454 /nfs/dbraw/zinc/40/74/54/836407454.db2.gz AKYCFMFRZDDKGY-AWEZNQCLSA-N 2 2 291.399 0.234 20 0 CCADLP C[C@@H](O)CCC[NH+]1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001112808566 836922303 /nfs/dbraw/zinc/92/23/03/836922303.db2.gz HHXLSYFOLQLHAE-CYBMUJFWSA-N 2 2 294.399 0.648 20 0 CCADLP COCCC[NH+]1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001113106840 837024881 /nfs/dbraw/zinc/02/48/81/837024881.db2.gz LMPHEVWXXHJHNP-UHFFFAOYSA-N 2 2 280.372 0.372 20 0 CCADLP C[C@H](O)CCC[NH+]1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001113172673 837045452 /nfs/dbraw/zinc/04/54/52/837045452.db2.gz OVOFDMLWZMZRFL-AWEZNQCLSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@H](Nc1ccc(N(C)C)c[nH+]1)[C@H]1C[NH2+]CCO1 ZINC001170569131 838135813 /nfs/dbraw/zinc/13/58/13/838135813.db2.gz ICFMMFPGHMTABG-CMPLNLGQSA-N 2 2 250.346 0.936 20 0 CCADLP C[C@H](O)C[NH2+]CCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001158487373 838258996 /nfs/dbraw/zinc/25/89/96/838258996.db2.gz YVAXVIIWGATGTH-LBPRGKRZSA-N 2 2 294.399 0.239 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]C[C@H]1CCCCO1 ZINC001132082739 838314174 /nfs/dbraw/zinc/31/41/74/838314174.db2.gz VABCVXNGNHHVDF-CYBMUJFWSA-N 2 2 280.372 0.548 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]C[C@H]1C[C@@]12CCOC2 ZINC001132082384 838314306 /nfs/dbraw/zinc/31/43/06/838314306.db2.gz NCRVHHTYLXPWEV-UKRRQHHQSA-N 2 2 292.383 0.406 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCC[NH2+]CC[C@@H]1CCCO1 ZINC001132082724 838314652 /nfs/dbraw/zinc/31/46/52/838314652.db2.gz UQGMDFJMLSQZLD-ZDUSSCGKSA-N 2 2 280.372 0.548 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)C[N@@H+]1CCO ZINC001132195219 838331979 /nfs/dbraw/zinc/33/19/79/838331979.db2.gz LPDWNONPWBBLRP-CHWSQXEVSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@@H]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)C[N@H+]1CCO ZINC001132195219 838331989 /nfs/dbraw/zinc/33/19/89/838331989.db2.gz LPDWNONPWBBLRP-CHWSQXEVSA-N 2 2 294.399 0.314 20 0 CCADLP COCCC[N@@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001132533020 838427662 /nfs/dbraw/zinc/42/76/62/838427662.db2.gz IUYOEQKRCBITKH-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP COCCC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC[C@H]1C ZINC001132533020 838427665 /nfs/dbraw/zinc/42/76/65/838427665.db2.gz IUYOEQKRCBITKH-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)o1 ZINC001132886070 838511879 /nfs/dbraw/zinc/51/18/79/838511879.db2.gz BHTNGIWCKZHQNP-JQWIXIFHSA-N 2 2 295.387 0.314 20 0 CCADLP Cc1nnc(C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)o1 ZINC001132886070 838511884 /nfs/dbraw/zinc/51/18/84/838511884.db2.gz BHTNGIWCKZHQNP-JQWIXIFHSA-N 2 2 295.387 0.314 20 0 CCADLP C[NH+](C)CCCC(=O)NCC[NH2+]Cc1csnn1 ZINC001133040223 838538555 /nfs/dbraw/zinc/53/85/55/838538555.db2.gz HEFFQBWTCMFAHQ-UHFFFAOYSA-N 2 2 271.390 0.086 20 0 CCADLP C[NH+]1CCC(C(=O)NCC[NH2+]Cc2nncs2)CC1 ZINC001133281790 838585363 /nfs/dbraw/zinc/58/53/63/838585363.db2.gz MNEACXCZXPOFPD-UHFFFAOYSA-N 2 2 283.401 0.086 20 0 CCADLP COCCCC[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001133664339 838691079 /nfs/dbraw/zinc/69/10/79/838691079.db2.gz OXTNPYTZMKICLK-LBPRGKRZSA-N 2 2 294.399 0.962 20 0 CCADLP CCOCCC[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC001133664396 838691273 /nfs/dbraw/zinc/69/12/73/838691273.db2.gz QGAIMXNIQDRIEG-GFCCVEGCSA-N 2 2 294.399 0.962 20 0 CCADLP CC[C@@H](C(=O)NCC[NH2+]Cc1cnsn1)[NH+](CC)CC ZINC001133685023 838696148 /nfs/dbraw/zinc/69/61/48/838696148.db2.gz OVFFPGYRSZPDRU-LBPRGKRZSA-N 2 2 299.444 0.864 20 0 CCADLP Cc1ccnc(C[NH2+]CCNC(=O)C[N@@H+]2CCC[C@H]2C)n1 ZINC001133834401 838734964 /nfs/dbraw/zinc/73/49/64/838734964.db2.gz WGNPBAVIBIZHRJ-CYBMUJFWSA-N 2 2 291.399 0.475 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1csnn1 ZINC001133846058 838746324 /nfs/dbraw/zinc/74/63/24/838746324.db2.gz SKBMFOGWCPCRSA-GHMZBOCLSA-N 2 2 297.428 0.647 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1)c1csnn1 ZINC001133846058 838746333 /nfs/dbraw/zinc/74/63/33/838746333.db2.gz SKBMFOGWCPCRSA-GHMZBOCLSA-N 2 2 297.428 0.647 20 0 CCADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C[NH2+]CCF ZINC001185205285 844362655 /nfs/dbraw/zinc/36/26/55/844362655.db2.gz NMZVRUAQYCOJCL-VXGBXAGGSA-N 2 2 282.363 0.996 20 0 CCADLP CC1(C)CC[N@H+](CC(=O)NCC[NH2+]Cc2cnon2)C1 ZINC001133896494 838768870 /nfs/dbraw/zinc/76/88/70/838768870.db2.gz LGBREVJKUBMARK-UHFFFAOYSA-N 2 2 281.360 0.007 20 0 CCADLP CC1(C)CC[N@@H+](CC(=O)NCC[NH2+]Cc2cnon2)C1 ZINC001133896494 838768876 /nfs/dbraw/zinc/76/88/76/838768876.db2.gz LGBREVJKUBMARK-UHFFFAOYSA-N 2 2 281.360 0.007 20 0 CCADLP C[C@H](CC(=O)NCC[NH2+]Cc1ccnn1C)n1cc[nH+]c1 ZINC001134498773 838994169 /nfs/dbraw/zinc/99/41/69/838994169.db2.gz OQUJDUOBWJHVOR-GFCCVEGCSA-N 2 2 290.371 0.474 20 0 CCADLP C[C@H](CC(=O)NCC[NH2+]C[C@@H]1CCOC1)n1cc[nH+]c1 ZINC001134517863 839000207 /nfs/dbraw/zinc/00/02/07/839000207.db2.gz UZBRWHKYXBCNKU-OLZOCXBDSA-N 2 2 280.372 0.577 20 0 CCADLP Cc1[nH+]cn(-c2ccc(N[C@@H]3C[NH2+]C[C@H]3CO)nn2)c1C ZINC001170777131 839101613 /nfs/dbraw/zinc/10/16/13/839101613.db2.gz HLWRRLLKMMAFBL-NWDGAFQWSA-N 2 2 288.355 0.271 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[NH2+]CC1CC1 ZINC001135080087 839156720 /nfs/dbraw/zinc/15/67/20/839156720.db2.gz KTXXHPYZJQWHJE-JTQLQIEISA-N 2 2 250.346 0.704 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[NH2+]CC1CC1 ZINC001135080087 839156727 /nfs/dbraw/zinc/15/67/27/839156727.db2.gz KTXXHPYZJQWHJE-JTQLQIEISA-N 2 2 250.346 0.704 20 0 CCADLP COCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001135553164 839294898 /nfs/dbraw/zinc/29/48/98/839294898.db2.gz QQRVFPMZLZQELW-MNOVXSKESA-N 2 2 268.361 0.472 20 0 CCADLP COCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001135944353 839475222 /nfs/dbraw/zinc/47/52/22/839475222.db2.gz IRSPUECGWRGXHP-STQMWFEESA-N 2 2 296.415 0.872 20 0 CCADLP [NH3+]CCC[C@H]([NH3+])Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC001170898761 839545161 /nfs/dbraw/zinc/54/51/61/839545161.db2.gz VKGHHHFTTHDUTN-GFCCVEGCSA-N 3 2 260.345 0.762 20 0 CCADLP [NH3+]CCC[C@@H]([NH3+])Nc1nc[nH]c2nc(=S)sc1-2 ZINC001159787537 839580454 /nfs/dbraw/zinc/58/04/54/839580454.db2.gz XHNNMCFZFIQTEE-YFKPBYRVSA-N 2 2 270.387 0.811 20 0 CCADLP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001090680320 839732097 /nfs/dbraw/zinc/73/20/97/839732097.db2.gz UECUNBYLURAACY-OLZOCXBDSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001090680320 839732104 /nfs/dbraw/zinc/73/21/04/839732104.db2.gz UECUNBYLURAACY-OLZOCXBDSA-N 2 2 294.399 0.550 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H](NC[C@H]([NH3+])CC(C)C)C[NH2+]1 ZINC001246308018 839781106 /nfs/dbraw/zinc/78/11/06/839781106.db2.gz GGIOYEPOEXZJDE-MBNYWOFBSA-N 2 2 271.405 0.633 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1N[C@@H]1C[NH2+][C@H](C(=O)OC(C)(C)C)C1 ZINC001246324178 839793157 /nfs/dbraw/zinc/79/31/57/839793157.db2.gz DWNSWJNTPYQOBS-CYDGBPFRSA-N 2 2 283.416 0.646 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2C[NH2+]CCC2(C)C)CN1 ZINC001246324871 839794962 /nfs/dbraw/zinc/79/49/62/839794962.db2.gz HKEYPNGMJPOXOF-SRVKXCTJSA-N 2 2 269.389 0.258 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)CN1 ZINC001246556629 840005986 /nfs/dbraw/zinc/00/59/86/840005986.db2.gz JXNDOPDQBFTLGT-VWYCJHECSA-N 2 2 291.342 0.196 20 0 CCADLP COC(=O)[C@@H]1CC[C@H]([N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)CN1 ZINC001246556629 840005988 /nfs/dbraw/zinc/00/59/88/840005988.db2.gz JXNDOPDQBFTLGT-VWYCJHECSA-N 2 2 291.342 0.196 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC001246562557 840030610 /nfs/dbraw/zinc/03/06/10/840030610.db2.gz UHFDMBMGECWQRD-YJNKXOJESA-N 3 2 267.417 0.835 20 0 CCADLP [NH3+]C[C@@]1(O)CCCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1 ZINC001246562557 840030617 /nfs/dbraw/zinc/03/06/17/840030617.db2.gz UHFDMBMGECWQRD-YJNKXOJESA-N 3 2 267.417 0.835 20 0 CCADLP O=C(NCC1CC([NH2+]CCF)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001091105815 840051623 /nfs/dbraw/zinc/05/16/23/840051623.db2.gz VDGFYOKKSUXFSA-OTTFEQOBSA-N 2 2 294.374 0.899 20 0 CCADLP C[C@@H]1C[C@H]([N@@H+]2CCO[C@@H]3C[C@@H](CO)C[C@H]32)CC[NH2+]1 ZINC001246652792 840233189 /nfs/dbraw/zinc/23/31/89/840233189.db2.gz HPIJQXYZOGHPOW-XVIXHAIJSA-N 2 2 254.374 0.599 20 0 CCADLP C[C@@H]1C[C@H]([N@H+]2CCO[C@@H]3C[C@@H](CO)C[C@H]32)CC[NH2+]1 ZINC001246652792 840233198 /nfs/dbraw/zinc/23/31/98/840233198.db2.gz HPIJQXYZOGHPOW-XVIXHAIJSA-N 2 2 254.374 0.599 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NCCC[NH2+]C[C@H](C)O ZINC001160839906 840236538 /nfs/dbraw/zinc/23/65/38/840236538.db2.gz WVJDRLPBOJUXOE-NSHDSACASA-N 2 2 281.356 0.109 20 0 CCADLP CC[NH+]1CCC(C(=O)N2CC[N@H+](C)C[C@@H]2C(=O)OC)CC1 ZINC001146781237 840363864 /nfs/dbraw/zinc/36/38/64/840363864.db2.gz CELRPUVXVYOIIZ-CYBMUJFWSA-N 2 2 297.399 0.034 20 0 CCADLP CC[NH+]1CCC(C(=O)N2CC[N@@H+](C)C[C@@H]2C(=O)OC)CC1 ZINC001146781237 840363874 /nfs/dbraw/zinc/36/38/74/840363874.db2.gz CELRPUVXVYOIIZ-CYBMUJFWSA-N 2 2 297.399 0.034 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CCc1ccns1 ZINC001149124931 840639002 /nfs/dbraw/zinc/63/90/02/840639002.db2.gz XJYKTRSOCMQTQY-UHFFFAOYSA-N 2 2 293.396 0.666 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]CCc1cccs1 ZINC001147877893 840711118 /nfs/dbraw/zinc/71/11/18/840711118.db2.gz OYRUYQHOIDDSGU-UHFFFAOYSA-N 2 2 292.408 0.973 20 0 CCADLP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH2+]Cc2cnsn2)C1 ZINC001147877145 840711977 /nfs/dbraw/zinc/71/19/77/840711977.db2.gz DGAOZGPLOHFICL-JTQLQIEISA-N 2 2 283.401 0.086 20 0 CCADLP C[N@H+]1CC[C@@H](CC(=O)NCC[NH2+]Cc2cnsn2)C1 ZINC001147877145 840711988 /nfs/dbraw/zinc/71/19/88/840711988.db2.gz DGAOZGPLOHFICL-JTQLQIEISA-N 2 2 283.401 0.086 20 0 CCADLP Cc1ccnc(C[NH2+]CCNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001147877916 840712324 /nfs/dbraw/zinc/71/23/24/840712324.db2.gz PMVHXCYMHZOPEG-CYBMUJFWSA-N 2 2 291.399 0.333 20 0 CCADLP Cc1ccnc(C[NH2+]CCNC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001147877916 840712330 /nfs/dbraw/zinc/71/23/30/840712330.db2.gz PMVHXCYMHZOPEG-CYBMUJFWSA-N 2 2 291.399 0.333 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[NH2+]C/C=C\Cl ZINC001147907898 840720455 /nfs/dbraw/zinc/72/04/55/840720455.db2.gz LMIFXMOJTGYSCU-IHWYPQMZSA-N 2 2 256.737 0.421 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001148643206 840863683 /nfs/dbraw/zinc/86/36/83/840863683.db2.gz UZJYNVUMOBCGSX-JTQLQIEISA-N 2 2 283.376 0.487 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC001148643206 840863695 /nfs/dbraw/zinc/86/36/95/840863695.db2.gz UZJYNVUMOBCGSX-JTQLQIEISA-N 2 2 283.376 0.487 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH2+][C@H](C)c1nnc(CC)o1 ZINC001148643419 840864219 /nfs/dbraw/zinc/86/42/19/840864219.db2.gz ZPSGXVGMTHIZAL-LLVKDONJSA-N 2 2 297.403 0.741 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@H](C)c1nnc(CC)o1 ZINC001148643419 840864226 /nfs/dbraw/zinc/86/42/26/840864226.db2.gz ZPSGXVGMTHIZAL-LLVKDONJSA-N 2 2 297.403 0.741 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1cnsn1 ZINC001148638965 840872964 /nfs/dbraw/zinc/87/29/64/840872964.db2.gz VRMCYVBULOXYMO-UHFFFAOYSA-N 2 2 271.390 0.086 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1cnsn1 ZINC001148638965 840872969 /nfs/dbraw/zinc/87/29/69/840872969.db2.gz VRMCYVBULOXYMO-UHFFFAOYSA-N 2 2 271.390 0.086 20 0 CCADLP C[N@@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001273525467 844591029 /nfs/dbraw/zinc/59/10/29/844591029.db2.gz SVCIEZJKCGTSIA-AWEZNQCLSA-N 2 2 276.340 0.354 20 0 CCADLP C[N@H+]1CCC[C@]2(CC(=O)N(CCn3cc[nH+]c3)C2=O)C1 ZINC001273525467 844591033 /nfs/dbraw/zinc/59/10/33/844591033.db2.gz SVCIEZJKCGTSIA-AWEZNQCLSA-N 2 2 276.340 0.354 20 0 CCADLP CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)C1 ZINC000714247642 841189562 /nfs/dbraw/zinc/18/95/62/841189562.db2.gz ONLGIUHEGWPLRV-UJPLBGJFSA-N 2 2 270.398 0.148 20 0 CCADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC[C@H]1CCCS1(=O)=O ZINC000714329157 841192717 /nfs/dbraw/zinc/19/27/17/841192717.db2.gz ZGEPTUUDZBHEQK-FRRDWIJNSA-N 2 2 290.429 0.310 20 0 CCADLP CC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC001036829869 841334087 /nfs/dbraw/zinc/33/40/87/841334087.db2.gz MCFFEAYEEPJDBU-WCQYABFASA-N 2 2 262.357 0.895 20 0 CCADLP CC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)CC[C@H]21 ZINC001036829869 841334098 /nfs/dbraw/zinc/33/40/98/841334098.db2.gz MCFFEAYEEPJDBU-WCQYABFASA-N 2 2 262.357 0.895 20 0 CCADLP COCC[NH2+]C1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001204069149 841734164 /nfs/dbraw/zinc/73/41/64/841734164.db2.gz MXVJMMJLYOQNLE-UHFFFAOYSA-N 2 2 294.399 0.890 20 0 CCADLP CC(=O)NC1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172124013 841855426 /nfs/dbraw/zinc/85/54/26/841855426.db2.gz IPTQLCWDSLSZLX-BTTYYORXSA-N 2 2 251.374 0.822 20 0 CCADLP CC(=O)NC1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172124013 841855434 /nfs/dbraw/zinc/85/54/34/841855434.db2.gz IPTQLCWDSLSZLX-BTTYYORXSA-N 2 2 251.374 0.822 20 0 CCADLP COC(=O)[C@H]1CCC[C@@H]([NH+]2CC(N3CC[NH+](C)CC3)C2)C1 ZINC001172638236 841947782 /nfs/dbraw/zinc/94/77/82/841947782.db2.gz VGHFRJFRGQRFTE-UONOGXRCSA-N 2 2 295.427 0.650 20 0 CCADLP COC(=O)[C@H]1CCC[C@@H]([NH2+]C2(C[NH3+])COC2)CC1 ZINC001172772951 841973269 /nfs/dbraw/zinc/97/32/69/841973269.db2.gz PUYVNBLBCQXJJU-WDEREUQCSA-N 2 2 256.346 0.426 20 0 CCADLP CCOC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2COC[C@H]2[NH3+])C1 ZINC001173627409 842120533 /nfs/dbraw/zinc/12/05/33/842120533.db2.gz LGDHZXITAAHEQX-WRWGMCAJSA-N 2 2 256.346 0.424 20 0 CCADLP COC(=O)c1ccc(C[C@H](C)[NH2+][C@@H]2COC[C@H]2[NH3+])cc1 ZINC001173710807 842132589 /nfs/dbraw/zinc/13/25/89/842132589.db2.gz BHIDEFJUSNHCRG-ZLKJLUDKSA-N 2 2 278.352 0.720 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCC[NH2+]Cc1ccon1 ZINC001174683688 842199257 /nfs/dbraw/zinc/19/92/57/842199257.db2.gz UIWKRUWQXKPFBQ-UHFFFAOYSA-N 2 2 277.328 0.545 20 0 CCADLP C[C@H](CCCC[NH2+]CCO)NC(=O)CCCn1cc[nH+]c1 ZINC001176810271 842412475 /nfs/dbraw/zinc/41/24/75/842412475.db2.gz JGLYHZMRMVFPGF-CQSZACIVSA-N 2 2 296.415 0.920 20 0 CCADLP C[C@@H]([NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1)C(N)=O ZINC001176828929 842415692 /nfs/dbraw/zinc/41/56/92/842415692.db2.gz HHNSJFAPFKSSGC-NWDGAFQWSA-N 2 2 295.387 0.022 20 0 CCADLP CC[N@@H+]1CCO[C@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@H]21 ZINC001177156750 842512781 /nfs/dbraw/zinc/51/27/81/842512781.db2.gz NWXNDJBNSFCFLS-KGLIPLIRSA-N 2 2 283.416 0.648 20 0 CCADLP CC[N@H+]1CCO[C@H]2CCN(C(=O)C[NH+](C)C(C)C)C[C@H]21 ZINC001177156750 842512785 /nfs/dbraw/zinc/51/27/85/842512785.db2.gz NWXNDJBNSFCFLS-KGLIPLIRSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCO[C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]21 ZINC001177156750 842512788 /nfs/dbraw/zinc/51/27/88/842512788.db2.gz NWXNDJBNSFCFLS-KGLIPLIRSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH+]1CCO[C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]21 ZINC001177156750 842512790 /nfs/dbraw/zinc/51/27/90/842512790.db2.gz NWXNDJBNSFCFLS-KGLIPLIRSA-N 2 2 283.416 0.648 20 0 CCADLP CCOC1CC(C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)C1 ZINC001177405459 842579130 /nfs/dbraw/zinc/57/91/30/842579130.db2.gz MUMQYIOXYLWSOM-UHFFFAOYSA-N 2 2 294.399 0.794 20 0 CCADLP CC[NH+](CC)CCNC(=O)CN(C)c1cccc[nH+]1 ZINC001177409562 842583552 /nfs/dbraw/zinc/58/35/52/842583552.db2.gz XQISTXSYLOTNLV-UHFFFAOYSA-N 2 2 264.373 0.976 20 0 CCADLP CCOCCC[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177411442 842586155 /nfs/dbraw/zinc/58/61/55/842586155.db2.gz ZBXIRDYIDJWGPF-UHFFFAOYSA-N 2 2 268.361 0.406 20 0 CCADLP C[C@H](C(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C)n1cc[nH+]c1 ZINC001177921812 842709879 /nfs/dbraw/zinc/70/98/79/842709879.db2.gz CLMUTAZFSPPCQX-QJPTWQEYSA-N 2 2 250.346 0.995 20 0 CCADLP C[C@H](C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C)n1cc[nH+]c1 ZINC001177921812 842709883 /nfs/dbraw/zinc/70/98/83/842709883.db2.gz CLMUTAZFSPPCQX-QJPTWQEYSA-N 2 2 250.346 0.995 20 0 CCADLP C[C@H](C(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1)n1cc[nH+]c1 ZINC001177929371 842716496 /nfs/dbraw/zinc/71/64/96/842716496.db2.gz KFCAZQHYJKZEKL-JHJVBQTASA-N 2 2 292.383 0.941 20 0 CCADLP COCCNC(=O)C1([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001178914654 842938853 /nfs/dbraw/zinc/93/88/53/842938853.db2.gz ZHSWGKOLJFAJON-QWHCGFSZSA-N 2 2 281.400 0.498 20 0 CCADLP COCCNC(=O)C1([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC001178914654 842938856 /nfs/dbraw/zinc/93/88/56/842938856.db2.gz ZHSWGKOLJFAJON-QWHCGFSZSA-N 2 2 281.400 0.498 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]CCCO)[C@@H]1C ZINC001180007534 843097875 /nfs/dbraw/zinc/09/78/75/843097875.db2.gz ZFEQJTOOIWTFAI-RYUDHWBXSA-N 2 2 280.372 0.222 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCCCCCC[NH2+]C[C@H](C)O ZINC001180159048 843113623 /nfs/dbraw/zinc/11/36/23/843113623.db2.gz VZTNJWTZINKNLT-LBPRGKRZSA-N 2 2 296.415 0.908 20 0 CCADLP C[C@H](C(=O)N1CCc2[nH+]ccn2CC1)[NH+]1CCCC1 ZINC001180576744 843192663 /nfs/dbraw/zinc/19/26/63/843192663.db2.gz AYLZGBCBHKXWAV-GFCCVEGCSA-N 2 2 262.357 0.752 20 0 CCADLP COc1ncc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1C ZINC001206465119 843627423 /nfs/dbraw/zinc/62/74/23/843627423.db2.gz WUWARTLUCSRLHM-NWDGAFQWSA-N 2 2 251.330 0.150 20 0 CCADLP COc1ncc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc1C ZINC001206465119 843627425 /nfs/dbraw/zinc/62/74/25/843627425.db2.gz WUWARTLUCSRLHM-NWDGAFQWSA-N 2 2 251.330 0.150 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2c[nH]c3ncnc(Cl)c23)C[C@H]1O ZINC001206468504 843641589 /nfs/dbraw/zinc/64/15/89/843641589.db2.gz IZOYWPZDFJEPOC-IONNQARKSA-N 2 2 281.747 0.314 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2c[nH]c3ncnc(Cl)c23)C[C@H]1O ZINC001206468504 843641591 /nfs/dbraw/zinc/64/15/91/843641591.db2.gz IZOYWPZDFJEPOC-IONNQARKSA-N 2 2 281.747 0.314 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](C(=O)NCC[NH+]2CCOC[C@H]2C)C1 ZINC001181981764 843659706 /nfs/dbraw/zinc/65/97/06/843659706.db2.gz ASOIRTGMANOTPN-KGLIPLIRSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)[N@H+]1CC[C@H](C(=O)NCC[NH+]2CCOC[C@H]2C)C1 ZINC001181981764 843659709 /nfs/dbraw/zinc/65/97/09/843659709.db2.gz ASOIRTGMANOTPN-KGLIPLIRSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)[NH+]1CC[C@H](C(=O)NCC[N@@H+]2CCOC[C@H]2C)C1 ZINC001181981764 843659713 /nfs/dbraw/zinc/65/97/13/843659713.db2.gz ASOIRTGMANOTPN-KGLIPLIRSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)[NH+]1CC[C@H](C(=O)NCC[N@H+]2CCOC[C@H]2C)C1 ZINC001181981764 843659715 /nfs/dbraw/zinc/65/97/15/843659715.db2.gz ASOIRTGMANOTPN-KGLIPLIRSA-N 2 2 283.416 0.554 20 0 CCADLP CC[NH+]1CCC(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001182881403 843934965 /nfs/dbraw/zinc/93/49/65/843934965.db2.gz MUGYFVLZJYCMJA-HNNXBMFYSA-N 3 2 296.459 0.648 20 0 CCADLP CC[NH+]1CCC(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001182881403 843934970 /nfs/dbraw/zinc/93/49/70/843934970.db2.gz MUGYFVLZJYCMJA-HNNXBMFYSA-N 3 2 296.459 0.648 20 0 CCADLP C[C@@H](O)CCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001187091038 844650074 /nfs/dbraw/zinc/65/00/74/844650074.db2.gz FOHYXLAASUIGSZ-CHWSQXEVSA-N 2 2 294.399 0.314 20 0 CCADLP COC[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001187522828 844734554 /nfs/dbraw/zinc/73/45/54/844734554.db2.gz UNDKNDZBHAOTJI-QWHCGFSZSA-N 2 2 294.399 0.578 20 0 CCADLP C[N@H+](CCCO)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001190556610 845426466 /nfs/dbraw/zinc/42/64/66/845426466.db2.gz HUMOUEAIHNFKLP-CYBMUJFWSA-N 2 2 280.372 0.257 20 0 CCADLP C[N@@H+](CCCO)[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001190556610 845426473 /nfs/dbraw/zinc/42/64/73/845426473.db2.gz HUMOUEAIHNFKLP-CYBMUJFWSA-N 2 2 280.372 0.257 20 0 CCADLP C[N@H+](CCCO)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001190556610 845426479 /nfs/dbraw/zinc/42/64/79/845426479.db2.gz HUMOUEAIHNFKLP-CYBMUJFWSA-N 2 2 280.372 0.257 20 0 CCADLP C[N@@H+](CCCO)[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001190556610 845426486 /nfs/dbraw/zinc/42/64/86/845426486.db2.gz HUMOUEAIHNFKLP-CYBMUJFWSA-N 2 2 280.372 0.257 20 0 CCADLP CCN(CC[NH2+]C[C@@H]1CCCCO1)C(=O)Cc1[nH]cc[nH+]1 ZINC001273681419 846335787 /nfs/dbraw/zinc/33/57/87/846335787.db2.gz REOZEURWHBSRDE-ZDUSSCGKSA-N 2 2 294.399 0.959 20 0 CCADLP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001196499671 846765635 /nfs/dbraw/zinc/76/56/35/846765635.db2.gz PJJDJLQFCMSTKI-JHJVBQTASA-N 2 2 280.372 0.404 20 0 CCADLP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001196499671 846765639 /nfs/dbraw/zinc/76/56/39/846765639.db2.gz PJJDJLQFCMSTKI-JHJVBQTASA-N 2 2 280.372 0.404 20 0 CCADLP CC(C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001196826833 846805752 /nfs/dbraw/zinc/80/57/52/846805752.db2.gz KSLVZDFOLACSIB-CYZMBNFOSA-N 2 2 280.372 0.158 20 0 CCADLP CC(C)[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001196826833 846805763 /nfs/dbraw/zinc/80/57/63/846805763.db2.gz KSLVZDFOLACSIB-CYZMBNFOSA-N 2 2 280.372 0.158 20 0 CCADLP COCCC[N@@H+]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001197950946 847008795 /nfs/dbraw/zinc/00/87/95/847008795.db2.gz KGWLMGFGQBHLMV-UHFFFAOYSA-N 2 2 294.399 0.831 20 0 CCADLP COCCC[N@H+]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001197950946 847008806 /nfs/dbraw/zinc/00/88/06/847008806.db2.gz KGWLMGFGQBHLMV-UHFFFAOYSA-N 2 2 294.399 0.831 20 0 CCADLP Cc1cc(C[NH+]2CCN(CC[NH+](C)C)CC2)n(C)n1 ZINC001205881694 847557423 /nfs/dbraw/zinc/55/74/23/847557423.db2.gz KAGOSVWCSUNWDI-UHFFFAOYSA-N 2 2 265.405 0.408 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCCO[C@H](C[NH2+]CCF)C1 ZINC001202216653 847869707 /nfs/dbraw/zinc/86/97/07/847869707.db2.gz HRIXWTZKIJOEER-GFCCVEGCSA-N 2 2 284.335 0.060 20 0 CCADLP [NH3+][C@@H]1CC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@H]1O ZINC001205952880 847991595 /nfs/dbraw/zinc/99/15/95/847991595.db2.gz DSTAAPHNQRIKKK-VXGBXAGGSA-N 3 2 267.398 0.288 20 0 CCADLP [NH3+][C@@H]1CC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C[C@H]1O ZINC001205952880 847991604 /nfs/dbraw/zinc/99/16/04/847991604.db2.gz DSTAAPHNQRIKKK-VXGBXAGGSA-N 3 2 267.398 0.288 20 0 CCADLP COc1cc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2)sn1 ZINC001153487972 848011171 /nfs/dbraw/zinc/01/11/71/848011171.db2.gz XDBLSMVGZITHJY-UHFFFAOYSA-N 2 2 295.368 0.254 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@H+](CC)CCN1CCOCC1 ZINC001253187381 848152834 /nfs/dbraw/zinc/15/28/34/848152834.db2.gz DCEBHWPXHSTHRM-HNNXBMFYSA-N 2 2 287.448 0.343 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@@H+](CC)CCN1CCOCC1 ZINC001253187381 848152839 /nfs/dbraw/zinc/15/28/39/848152839.db2.gz DCEBHWPXHSTHRM-HNNXBMFYSA-N 2 2 287.448 0.343 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+]C[C@@H](O)c1cccc(O)c1 ZINC001253207979 848159739 /nfs/dbraw/zinc/15/97/39/848159739.db2.gz MFRHGAGHMLZBSD-LSDHHAIUSA-N 2 2 282.384 0.718 20 0 CCADLP C[N@@H+]1CC[C@@H](CC(=O)NC/C=C\C[NH2+]Cc2cnon2)C1 ZINC001274507014 848492273 /nfs/dbraw/zinc/49/22/73/848492273.db2.gz CAFWMSQZWJNSEI-DLGQBQFBSA-N 2 2 293.371 0.173 20 0 CCADLP C[N@H+]1CC[C@@H](CC(=O)NC/C=C\C[NH2+]Cc2cnon2)C1 ZINC001274507014 848492278 /nfs/dbraw/zinc/49/22/78/848492278.db2.gz CAFWMSQZWJNSEI-DLGQBQFBSA-N 2 2 293.371 0.173 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC/C=C\C[NH2+]C(C)C ZINC001274536801 848497807 /nfs/dbraw/zinc/49/78/07/848497807.db2.gz WWCIRQDZZYLYBC-PLNGDYQASA-N 2 2 250.346 0.931 20 0 CCADLP O=C(C[NH+]1CCCC1)NC/C=C\C[NH2+]Cc1ncccn1 ZINC001274578757 848512950 /nfs/dbraw/zinc/51/29/50/848512950.db2.gz NBEDYAIVZYVGJJ-UPHRSURJSA-N 2 2 289.383 0.334 20 0 CCADLP C[C@@H](CCNC(=O)Cc1c[nH+]cn1C)[NH2+]CCF ZINC001274815765 848571418 /nfs/dbraw/zinc/57/14/18/848571418.db2.gz LMYPITQKCNGEMB-JTQLQIEISA-N 2 2 256.325 0.417 20 0 CCADLP COCCC[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001275031714 848617440 /nfs/dbraw/zinc/61/74/40/848617440.db2.gz QUYIKUUUGGUSBQ-AWEZNQCLSA-N 2 2 294.399 0.959 20 0 CCADLP C[C@@H](C[NH2+]CCCF)NC(=O)CCc1c[nH]c[nH+]1 ZINC001275179845 848659577 /nfs/dbraw/zinc/65/95/77/848659577.db2.gz NJUORHCNLCDERL-JTQLQIEISA-N 2 2 256.325 0.796 20 0 CCADLP C[C@@H](C[NH2+]CCCF)NC(=O)CCc1c[nH+]c[nH]1 ZINC001275179845 848659579 /nfs/dbraw/zinc/65/95/79/848659579.db2.gz NJUORHCNLCDERL-JTQLQIEISA-N 2 2 256.325 0.796 20 0 CCADLP C[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4ccon4)CC3)[C@H]2C1 ZINC001276066614 848915230 /nfs/dbraw/zinc/91/52/30/848915230.db2.gz MWPQGXZTEXRZCP-STQMWFEESA-N 2 2 290.367 0.317 20 0 CCADLP C[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](Cc4ccon4)CC3)[C@H]2C1 ZINC001276066614 848915239 /nfs/dbraw/zinc/91/52/39/848915239.db2.gz MWPQGXZTEXRZCP-STQMWFEESA-N 2 2 290.367 0.317 20 0 CCADLP Cc1ncn(C)c1C[NH+]1CC2(C1)CCN(CC[NH+](C)C)C2 ZINC001276249251 848972952 /nfs/dbraw/zinc/97/29/52/848972952.db2.gz DVMXJLBGSPGWNZ-UHFFFAOYSA-N 2 2 291.443 0.798 20 0 CCADLP Cc1nc(N(C)CCCNC(=O)CC[NH+](C)C)cc[nH+]1 ZINC001095732117 849098145 /nfs/dbraw/zinc/09/81/45/849098145.db2.gz MDPIGQCWJDIADC-UHFFFAOYSA-N 2 2 279.388 0.679 20 0 CCADLP Cc1cnc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[NH+](C)C)o1 ZINC001114773816 849393266 /nfs/dbraw/zinc/39/32/66/849393266.db2.gz COPQGQJFWFTIPQ-JYAVWHMHSA-N 2 2 292.383 0.481 20 0 CCADLP Cc1cnc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[NH+](C)C)o1 ZINC001114773816 849393277 /nfs/dbraw/zinc/39/32/77/849393277.db2.gz COPQGQJFWFTIPQ-JYAVWHMHSA-N 2 2 292.383 0.481 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCCN2CCSC[C@@H]12 ZINC000720414164 849454944 /nfs/dbraw/zinc/45/49/44/849454944.db2.gz SQDCUQWEQNCZON-TUVASFSCSA-N 2 2 299.484 0.923 20 0 CCADLP C[C@H]1CCCCN1C(=O)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720646600 849510065 /nfs/dbraw/zinc/51/00/65/849510065.db2.gz NPQCNKAHYXVFNH-KCQAQPDRSA-N 2 2 265.401 0.929 20 0 CCADLP C[C@H]1CCCCN1C(=O)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720646600 849510068 /nfs/dbraw/zinc/51/00/68/849510068.db2.gz NPQCNKAHYXVFNH-KCQAQPDRSA-N 2 2 265.401 0.929 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720828180 849545653 /nfs/dbraw/zinc/54/56/53/849545653.db2.gz MGGMOXOMHNKSGB-TUAOUCFPSA-N 2 2 260.378 0.068 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720828180 849545658 /nfs/dbraw/zinc/54/56/58/849545658.db2.gz MGGMOXOMHNKSGB-TUAOUCFPSA-N 2 2 260.378 0.068 20 0 CCADLP CC[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1[NH2+]CCO ZINC001037969238 849613995 /nfs/dbraw/zinc/61/39/95/849613995.db2.gz WCLBMXMOJGCSSB-JSGCOSHPSA-N 2 2 294.399 0.172 20 0 CCADLP C[NH+](C)Cc1ccoc1C(=O)NC[C@H]1CC[N@@H+]1CCO ZINC001038645239 849795994 /nfs/dbraw/zinc/79/59/94/849795994.db2.gz LMXZGOLGZRJDOG-GFCCVEGCSA-N 2 2 281.356 0.138 20 0 CCADLP C[NH+](C)Cc1ccoc1C(=O)NC[C@H]1CC[N@H+]1CCO ZINC001038645239 849796005 /nfs/dbraw/zinc/79/60/05/849796005.db2.gz LMXZGOLGZRJDOG-GFCCVEGCSA-N 2 2 281.356 0.138 20 0 CCADLP COCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001038344444 849856776 /nfs/dbraw/zinc/85/67/76/849856776.db2.gz GINYQUWBHLPZMC-QWHCGFSZSA-N 2 2 292.383 0.597 20 0 CCADLP COCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001038344444 849856786 /nfs/dbraw/zinc/85/67/86/849856786.db2.gz GINYQUWBHLPZMC-QWHCGFSZSA-N 2 2 292.383 0.597 20 0 CCADLP CC(C)=CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001038397592 849878838 /nfs/dbraw/zinc/87/88/38/849878838.db2.gz BCMMKYATZPZHNT-RBSFLKMASA-N 2 2 295.427 0.862 20 0 CCADLP CC(C)=CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001038397592 849878857 /nfs/dbraw/zinc/87/88/57/849878857.db2.gz BCMMKYATZPZHNT-RBSFLKMASA-N 2 2 295.427 0.862 20 0 CCADLP CC(C)=CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001038397592 849878869 /nfs/dbraw/zinc/87/88/69/849878869.db2.gz BCMMKYATZPZHNT-RBSFLKMASA-N 2 2 295.427 0.862 20 0 CCADLP CC(C)=CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001038397592 849878877 /nfs/dbraw/zinc/87/88/77/849878877.db2.gz BCMMKYATZPZHNT-RBSFLKMASA-N 2 2 295.427 0.862 20 0 CCADLP O=C(NC[C@H]1CC[N@H+]1CCO)c1cc2c[nH+]ccc2[nH]1 ZINC001038418643 849887746 /nfs/dbraw/zinc/88/77/46/849887746.db2.gz YFLWMSWVCGEGGE-LLVKDONJSA-N 2 2 274.324 0.359 20 0 CCADLP O=C(NC[C@H]1CC[N@@H+]1CCO)c1cc2c[nH+]ccc2[nH]1 ZINC001038418643 849887749 /nfs/dbraw/zinc/88/77/49/849887749.db2.gz YFLWMSWVCGEGGE-LLVKDONJSA-N 2 2 274.324 0.359 20 0 CCADLP Cn1cc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H]2CC[NH+](C)C2)cn1 ZINC001039005357 850116104 /nfs/dbraw/zinc/11/61/04/850116104.db2.gz FDVAFWFPHFCTDY-UONOGXRCSA-N 2 2 291.399 0.062 20 0 CCADLP Cn1cc(C[N@H+]2CC[C@@H]2CNC(=O)[C@H]2CC[NH+](C)C2)cn1 ZINC001039005357 850116115 /nfs/dbraw/zinc/11/61/15/850116115.db2.gz FDVAFWFPHFCTDY-UONOGXRCSA-N 2 2 291.399 0.062 20 0 CCADLP Cn1cc(C[NH+]2CC[C@@H]2CNC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001039005357 850116119 /nfs/dbraw/zinc/11/61/19/850116119.db2.gz FDVAFWFPHFCTDY-UONOGXRCSA-N 2 2 291.399 0.062 20 0 CCADLP Cn1cc(C[NH+]2CC[C@@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001039005357 850116130 /nfs/dbraw/zinc/11/61/30/850116130.db2.gz FDVAFWFPHFCTDY-UONOGXRCSA-N 2 2 291.399 0.062 20 0 CCADLP CC[NH+]1CCC([NH2+]Cc2cnc3n2CCOC3)CC1 ZINC000722865797 850164494 /nfs/dbraw/zinc/16/44/94/850164494.db2.gz ZFMZMDHXBRKKRL-UHFFFAOYSA-N 2 2 264.373 0.987 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001042333608 850615825 /nfs/dbraw/zinc/61/58/25/850615825.db2.gz BPUOGSNNRWBLDB-JSGCOSHPSA-N 2 2 292.383 0.176 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001042333608 850615831 /nfs/dbraw/zinc/61/58/31/850615831.db2.gz BPUOGSNNRWBLDB-JSGCOSHPSA-N 2 2 292.383 0.176 20 0 CCADLP CC[C@H](C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042570555 850700746 /nfs/dbraw/zinc/70/07/46/850700746.db2.gz VJONYWWSIVGSMO-JSGCOSHPSA-N 2 2 283.416 0.506 20 0 CCADLP CC[C@H](C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042570555 850700754 /nfs/dbraw/zinc/70/07/54/850700754.db2.gz VJONYWWSIVGSMO-JSGCOSHPSA-N 2 2 283.416 0.506 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001043051630 850804417 /nfs/dbraw/zinc/80/44/17/850804417.db2.gz DTGHOMNZTQTPFG-UHFFFAOYSA-N 2 2 295.427 0.651 20 0 CCADLP CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)C1C[NH+](CC2CC2)C1 ZINC001043123805 850819007 /nfs/dbraw/zinc/81/90/07/850819007.db2.gz JUEOAVYFLWNDMR-CYBMUJFWSA-N 2 2 288.395 0.998 20 0 CCADLP Cc1[nH+]c[nH]c1CC[NH2+]C[C@H](O)C(=O)OC(C)(C)C ZINC001253697775 850934772 /nfs/dbraw/zinc/93/47/72/850934772.db2.gz ACIFGJMIMUZIBT-NSHDSACASA-N 2 2 269.345 0.553 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001044082922 851005049 /nfs/dbraw/zinc/00/50/49/851005049.db2.gz PXDVSNTWBMSZSM-UHFFFAOYSA-N 2 2 283.416 0.507 20 0 CCADLP CN(C(=O)C[NH+]1CCCC1)C1C[NH+](C[C@H]2CCCCO2)C1 ZINC001044297113 851068603 /nfs/dbraw/zinc/06/86/03/851068603.db2.gz YYAXHSUUVMHCSR-OAHLLOKOSA-N 2 2 295.427 0.794 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](CCCO)C1 ZINC001044337299 851080785 /nfs/dbraw/zinc/08/07/85/851080785.db2.gz SNKXVPXFOVYCTL-AWEZNQCLSA-N 2 2 283.416 0.386 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C1C[NH+](CCCO)C1 ZINC001044337299 851080794 /nfs/dbraw/zinc/08/07/94/851080794.db2.gz SNKXVPXFOVYCTL-AWEZNQCLSA-N 2 2 283.416 0.386 20 0 CCADLP CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H](C)C1 ZINC001044807020 851162080 /nfs/dbraw/zinc/16/20/80/851162080.db2.gz LQJBBDPLKHNXNA-WDEREUQCSA-N 2 2 250.346 0.941 20 0 CCADLP CC[N@@H+]1CC[C@H](N2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001046073554 851362629 /nfs/dbraw/zinc/36/26/29/851362629.db2.gz ITBMVPAZPKRSEW-ZDUSSCGKSA-N 2 2 291.399 0.191 20 0 CCADLP CC[N@H+]1CC[C@H](N2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001046073554 851362634 /nfs/dbraw/zinc/36/26/34/851362634.db2.gz ITBMVPAZPKRSEW-ZDUSSCGKSA-N 2 2 291.399 0.191 20 0 CCADLP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)Cn1cc[nH+]c1 ZINC000900786074 851509931 /nfs/dbraw/zinc/50/99/31/851509931.db2.gz JXEJZAAQCMQQDT-GFCCVEGCSA-N 2 2 262.357 0.731 20 0 CCADLP CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001047597715 851831577 /nfs/dbraw/zinc/83/15/77/851831577.db2.gz DPSIMUVBEJMWNN-QWRGUYRKSA-N 2 2 280.372 0.211 20 0 CCADLP CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001047597715 851831583 /nfs/dbraw/zinc/83/15/83/851831583.db2.gz DPSIMUVBEJMWNN-QWRGUYRKSA-N 2 2 280.372 0.211 20 0 CCADLP CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001047987659 851880498 /nfs/dbraw/zinc/88/04/98/851880498.db2.gz JDKJJPLQEQJEAV-QWRGUYRKSA-N 2 2 250.346 0.799 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCF ZINC001049848444 852386484 /nfs/dbraw/zinc/38/64/84/852386484.db2.gz KUDREEZSTKINHA-UONOGXRCSA-N 2 2 294.374 0.997 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCF ZINC001049848444 852386489 /nfs/dbraw/zinc/38/64/89/852386489.db2.gz KUDREEZSTKINHA-UONOGXRCSA-N 2 2 294.374 0.997 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCF ZINC001049848445 852386550 /nfs/dbraw/zinc/38/65/50/852386550.db2.gz KUDREEZSTKINHA-ZIAGYGMSSA-N 2 2 294.374 0.997 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCF ZINC001049848445 852386557 /nfs/dbraw/zinc/38/65/57/852386557.db2.gz KUDREEZSTKINHA-ZIAGYGMSSA-N 2 2 294.374 0.997 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]2[C@H]1CC[N@H+]2CCCO ZINC001049929308 852396827 /nfs/dbraw/zinc/39/68/27/852396827.db2.gz ZIPRAESPVOLFEN-UONOGXRCSA-N 2 2 292.383 0.331 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCO ZINC001049929308 852396834 /nfs/dbraw/zinc/39/68/34/852396834.db2.gz ZIPRAESPVOLFEN-UONOGXRCSA-N 2 2 292.383 0.331 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCOC2(C[NH+](CC3CC3)C2)C1 ZINC001053189933 852705683 /nfs/dbraw/zinc/70/56/83/852705683.db2.gz GNYSKRVQSZDMIJ-CQSZACIVSA-N 2 2 293.411 0.404 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CCOC2(C[NH+](CC3CC3)C2)C1 ZINC001053189933 852705687 /nfs/dbraw/zinc/70/56/87/852705687.db2.gz GNYSKRVQSZDMIJ-CQSZACIVSA-N 2 2 293.411 0.404 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)CO2 ZINC001053905694 852843128 /nfs/dbraw/zinc/84/31/28/852843128.db2.gz KYYQYVTYAZIUNI-IHRRRGAJSA-N 2 2 295.427 0.696 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)CO2 ZINC001053905694 852843136 /nfs/dbraw/zinc/84/31/36/852843136.db2.gz KYYQYVTYAZIUNI-IHRRRGAJSA-N 2 2 295.427 0.696 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)CO2 ZINC001054016484 852870349 /nfs/dbraw/zinc/87/03/49/852870349.db2.gz CPTZAPONOZVDDP-KBPBESRZSA-N 2 2 295.427 0.840 20 0 CCADLP CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1CC)CO2 ZINC001054016484 852870351 /nfs/dbraw/zinc/87/03/51/852870351.db2.gz CPTZAPONOZVDDP-KBPBESRZSA-N 2 2 295.427 0.840 20 0 CCADLP C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1[NH2+]CCO ZINC001054899014 853033352 /nfs/dbraw/zinc/03/33/52/853033352.db2.gz VKOXIGLRUDOMCO-RYUDHWBXSA-N 2 2 288.351 0.377 20 0 CCADLP CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001050006768 853291941 /nfs/dbraw/zinc/29/19/41/853291941.db2.gz QLXVQRWRFPJEHG-BFHYXJOUSA-N 2 2 281.400 0.260 20 0 CCADLP CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001050006768 853291948 /nfs/dbraw/zinc/29/19/48/853291948.db2.gz QLXVQRWRFPJEHG-BFHYXJOUSA-N 2 2 281.400 0.260 20 0 CCADLP CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001050006768 853291955 /nfs/dbraw/zinc/29/19/55/853291955.db2.gz QLXVQRWRFPJEHG-BFHYXJOUSA-N 2 2 281.400 0.260 20 0 CCADLP CC[NH+]1C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001050006768 853291961 /nfs/dbraw/zinc/29/19/61/853291961.db2.gz QLXVQRWRFPJEHG-BFHYXJOUSA-N 2 2 281.400 0.260 20 0 CCADLP CC(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001050848570 853461191 /nfs/dbraw/zinc/46/11/91/853461191.db2.gz LHUCINYNYPMRID-LSDHHAIUSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001050848570 853461194 /nfs/dbraw/zinc/46/11/94/853461194.db2.gz LHUCINYNYPMRID-LSDHHAIUSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)CC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001050848570 853461196 /nfs/dbraw/zinc/46/11/96/853461196.db2.gz LHUCINYNYPMRID-LSDHHAIUSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)CC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001050848570 853461198 /nfs/dbraw/zinc/46/11/98/853461198.db2.gz LHUCINYNYPMRID-LSDHHAIUSA-N 2 2 297.443 0.944 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCO[C@@H](C[NH2+]CC2CC2)C1 ZINC001051743690 853637764 /nfs/dbraw/zinc/63/77/64/853637764.db2.gz BLIVUKZZEFEGHQ-AWEZNQCLSA-N 2 2 292.383 0.500 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCO[C@H](C[NH2+]CC2CCC2)C1 ZINC001051883931 853653507 /nfs/dbraw/zinc/65/35/07/853653507.db2.gz CSEYKZUHSAKRHN-CYBMUJFWSA-N 2 2 292.383 0.569 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001073079957 854525630 /nfs/dbraw/zinc/52/56/30/854525630.db2.gz ZVHQIXFKOFXVCG-UHFFFAOYSA-N 2 2 274.368 0.897 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001073079957 854525635 /nfs/dbraw/zinc/52/56/35/854525635.db2.gz ZVHQIXFKOFXVCG-UHFFFAOYSA-N 2 2 274.368 0.897 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)CC[N@H+](CCCO)C2 ZINC001073151593 854537015 /nfs/dbraw/zinc/53/70/15/854537015.db2.gz SXJNWXFRPDPFCY-UHFFFAOYSA-N 2 2 292.383 0.177 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)CC[N@@H+](CCCO)C2 ZINC001073151593 854537026 /nfs/dbraw/zinc/53/70/26/854537026.db2.gz SXJNWXFRPDPFCY-UHFFFAOYSA-N 2 2 292.383 0.177 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CCF)CCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001074719421 854770438 /nfs/dbraw/zinc/77/04/38/854770438.db2.gz DIJPFWDQOQPPSM-AVGNSLFASA-N 2 2 294.374 0.994 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001074895242 854795718 /nfs/dbraw/zinc/79/57/18/854795718.db2.gz CYHVZRBFCMLBAJ-LOWDOPEQSA-N 2 2 292.383 0.095 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]C[C@@H](C)O)[C@@H]1C ZINC001075072886 854811127 /nfs/dbraw/zinc/81/11/27/854811127.db2.gz GDQMFAHMXMUPBD-USWWRNFRSA-N 2 2 280.372 0.220 20 0 CCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCF ZINC001098400951 854863018 /nfs/dbraw/zinc/86/30/18/854863018.db2.gz WEFQZUMRKVROHG-UPJWGTAASA-N 2 2 269.364 0.773 20 0 CCADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCF ZINC001098400951 854863022 /nfs/dbraw/zinc/86/30/22/854863022.db2.gz WEFQZUMRKVROHG-UPJWGTAASA-N 2 2 269.364 0.773 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCF ZINC001098492356 854869387 /nfs/dbraw/zinc/86/93/87/854869387.db2.gz MMDPZFAJUSWCTH-UPJWGTAASA-N 2 2 280.347 0.964 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCF ZINC001098492356 854869392 /nfs/dbraw/zinc/86/93/92/854869392.db2.gz MMDPZFAJUSWCTH-UPJWGTAASA-N 2 2 280.347 0.964 20 0 CCADLP CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C(F)(F)F ZINC001099313108 854926662 /nfs/dbraw/zinc/92/66/62/854926662.db2.gz RGRDRYFPTWBIFP-NXEZZACHSA-N 2 2 290.289 0.951 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001100095178 855097029 /nfs/dbraw/zinc/09/70/29/855097029.db2.gz ZDOGQVDJZFJYTC-KGLIPLIRSA-N 2 2 294.399 0.314 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)[C@@H](O)C1 ZINC001100095178 855097032 /nfs/dbraw/zinc/09/70/32/855097032.db2.gz ZDOGQVDJZFJYTC-KGLIPLIRSA-N 2 2 294.399 0.314 20 0 CCADLP C[C@@H](O)C[NH2+]C1CC(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001100293492 855139384 /nfs/dbraw/zinc/13/93/84/855139384.db2.gz WGEZXDJDEFATCA-VOMCLLRMSA-N 2 2 280.372 0.208 20 0 CCADLP CC[C@H](C(=O)NCCN(C)c1cc[nH+]c(C)n1)[NH+](C)C ZINC001100396999 855159312 /nfs/dbraw/zinc/15/93/12/855159312.db2.gz CYPNPQHJTONTRU-GFCCVEGCSA-N 2 2 279.388 0.678 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC001256319937 855240722 /nfs/dbraw/zinc/24/07/22/855240722.db2.gz FJPKCXHCAOVADY-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@H](CC(=O)N1CCOCC1)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC001256319937 855240716 /nfs/dbraw/zinc/24/07/16/855240716.db2.gz FJPKCXHCAOVADY-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP COCC[N@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001102203870 855418585 /nfs/dbraw/zinc/41/85/85/855418585.db2.gz JXXLNKRXKJRSQZ-ZIAGYGMSSA-N 2 2 294.399 0.604 20 0 CCADLP COCC[N@@H+]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC001102203870 855418588 /nfs/dbraw/zinc/41/85/88/855418588.db2.gz JXXLNKRXKJRSQZ-ZIAGYGMSSA-N 2 2 294.399 0.604 20 0 CCADLP O=C1NC[C@@H]2C[N@H+](C[C@@H]3CCCC[NH2+]C3)CCN12 ZINC000697084997 855615725 /nfs/dbraw/zinc/61/57/25/855615725.db2.gz BMJPEFJEAJLMGB-VXGBXAGGSA-N 2 2 252.362 0.086 20 0 CCADLP O=C1NC[C@@H]2C[N@@H+](C[C@@H]3CCCC[NH2+]C3)CCN12 ZINC000697084997 855615728 /nfs/dbraw/zinc/61/57/28/855615728.db2.gz BMJPEFJEAJLMGB-VXGBXAGGSA-N 2 2 252.362 0.086 20 0 CCADLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CC(N)=O ZINC001116176607 855726530 /nfs/dbraw/zinc/72/65/30/855726530.db2.gz AZQQMZBYWGSVFN-UHFFFAOYSA-N 2 2 259.269 0.390 20 0 CCADLP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001116355928 855751833 /nfs/dbraw/zinc/75/18/33/855751833.db2.gz ZHTUIFGUSKLTQO-VXGBXAGGSA-N 2 2 262.357 0.513 20 0 CCADLP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001116355928 855751836 /nfs/dbraw/zinc/75/18/36/855751836.db2.gz ZHTUIFGUSKLTQO-VXGBXAGGSA-N 2 2 262.357 0.513 20 0 CCADLP O=S1(=O)CCC[C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC001117634083 856030715 /nfs/dbraw/zinc/03/07/15/856030715.db2.gz YNQFQRDPJNXBSF-VHSXEESVSA-N 2 2 269.370 0.434 20 0 CCADLP O=C(NC[C@H]1CCC[NH2+]C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001118848205 856464452 /nfs/dbraw/zinc/46/44/52/856464452.db2.gz LYNHKHPQECYYAM-NWDGAFQWSA-N 2 2 262.357 0.561 20 0 CCADLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)C1 ZINC001120496925 857093186 /nfs/dbraw/zinc/09/31/86/857093186.db2.gz NLJGIHGTFJJYSS-SNPRPXQTSA-N 2 2 270.417 0.830 20 0 CCADLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)C1 ZINC001120496925 857093191 /nfs/dbraw/zinc/09/31/91/857093191.db2.gz NLJGIHGTFJJYSS-SNPRPXQTSA-N 2 2 270.417 0.830 20 0 CCADLP CC[C@@H](C[N@@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1)OC ZINC001392876859 912221574 /nfs/dbraw/zinc/22/15/74/912221574.db2.gz GSMNCNGQPFQCKK-OLZOCXBDSA-N 2 2 280.372 0.499 20 0 CCADLP CC[C@@H](C[N@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1)OC ZINC001392876859 912221594 /nfs/dbraw/zinc/22/15/94/912221594.db2.gz GSMNCNGQPFQCKK-OLZOCXBDSA-N 2 2 280.372 0.499 20 0 CCADLP C[C@H](CC(=O)NCC1([NH2+]CCO)CC1)n1cc[nH+]c1 ZINC001323555436 912412747 /nfs/dbraw/zinc/41/27/47/912412747.db2.gz PKFAXJHFJHHQTI-LLVKDONJSA-N 2 2 266.345 0.065 20 0 CCADLP CC[NH+]1CC(N(C)C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001324018312 912632184 /nfs/dbraw/zinc/63/21/84/912632184.db2.gz UZKUJRYLUCLSNF-GFCCVEGCSA-N 2 2 269.389 0.117 20 0 CCADLP C[C@@]1(C[NH2+]CCF)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001324831552 913055206 /nfs/dbraw/zinc/05/52/06/913055206.db2.gz CVSPTBPEGJUNTI-ZDUSSCGKSA-N 2 2 268.336 0.681 20 0 CCADLP CC(C)CC[NH+]1CC(CCO)(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001394155853 913055359 /nfs/dbraw/zinc/05/53/59/913055359.db2.gz CFJVBZVMXGPRTP-CQSZACIVSA-N 2 2 297.443 0.680 20 0 CCADLP CC(C)CC[NH+]1CC(CCO)(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001394155853 913055373 /nfs/dbraw/zinc/05/53/73/913055373.db2.gz CFJVBZVMXGPRTP-CQSZACIVSA-N 2 2 297.443 0.680 20 0 CCADLP CC(C)[NH+]1CC(O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001325224395 913288188 /nfs/dbraw/zinc/28/81/88/913288188.db2.gz FPUGFGYYPPHPTO-UHFFFAOYSA-N 2 2 269.389 0.042 20 0 CCADLP CC(C)[NH+]1CC(O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001325224395 913288206 /nfs/dbraw/zinc/28/82/06/913288206.db2.gz FPUGFGYYPPHPTO-UHFFFAOYSA-N 2 2 269.389 0.042 20 0 CCADLP CC(C)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001394599825 913303952 /nfs/dbraw/zinc/30/39/52/913303952.db2.gz BTEARASQQDETQS-OLZOCXBDSA-N 2 2 294.399 0.168 20 0 CCADLP CNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001480863922 891412676 /nfs/dbraw/zinc/41/26/76/891412676.db2.gz HMMLAWIVHFMLNP-QWHCGFSZSA-N 2 2 298.431 0.042 20 0 CCADLP CNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001480863922 891412681 /nfs/dbraw/zinc/41/26/81/891412681.db2.gz HMMLAWIVHFMLNP-QWHCGFSZSA-N 2 2 298.431 0.042 20 0 CCADLP CNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001480863922 891412688 /nfs/dbraw/zinc/41/26/88/891412688.db2.gz HMMLAWIVHFMLNP-QWHCGFSZSA-N 2 2 298.431 0.042 20 0 CCADLP CNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001480863922 891412697 /nfs/dbraw/zinc/41/26/97/891412697.db2.gz HMMLAWIVHFMLNP-QWHCGFSZSA-N 2 2 298.431 0.042 20 0 CCADLP CNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001480863919 891412816 /nfs/dbraw/zinc/41/28/16/891412816.db2.gz HMMLAWIVHFMLNP-OLZOCXBDSA-N 2 2 298.431 0.042 20 0 CCADLP CNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001480863919 891412822 /nfs/dbraw/zinc/41/28/22/891412822.db2.gz HMMLAWIVHFMLNP-OLZOCXBDSA-N 2 2 298.431 0.042 20 0 CCADLP CNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001480863919 891412828 /nfs/dbraw/zinc/41/28/28/891412828.db2.gz HMMLAWIVHFMLNP-OLZOCXBDSA-N 2 2 298.431 0.042 20 0 CCADLP CNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001480863919 891412835 /nfs/dbraw/zinc/41/28/35/891412835.db2.gz HMMLAWIVHFMLNP-OLZOCXBDSA-N 2 2 298.431 0.042 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@@H+](C)CC[C@H]1CCOC1 ZINC001480940471 891911103 /nfs/dbraw/zinc/91/11/03/891911103.db2.gz IGJXNRQPGDZEDW-ZDUSSCGKSA-N 2 2 294.399 0.735 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[N@H+](C)CC[C@H]1CCOC1 ZINC001480940471 891911115 /nfs/dbraw/zinc/91/11/15/891911115.db2.gz IGJXNRQPGDZEDW-ZDUSSCGKSA-N 2 2 294.399 0.735 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[N@H+](C)CC1CC1 ZINC001480941058 891913606 /nfs/dbraw/zinc/91/36/06/891913606.db2.gz DBIMFDZHGDVNMB-UHFFFAOYSA-N 2 2 264.373 0.811 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NCC[N@@H+](C)CC1CC1 ZINC001480941058 891913616 /nfs/dbraw/zinc/91/36/16/891913616.db2.gz DBIMFDZHGDVNMB-UHFFFAOYSA-N 2 2 264.373 0.811 20 0 CCADLP CC[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)CCn1cccn1 ZINC001481002505 892043750 /nfs/dbraw/zinc/04/37/50/892043750.db2.gz LBNQQJCXAWBIFZ-UHFFFAOYSA-N 2 2 290.371 0.287 20 0 CCADLP CC[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)CCn1cccn1 ZINC001481002505 892043770 /nfs/dbraw/zinc/04/37/70/892043770.db2.gz LBNQQJCXAWBIFZ-UHFFFAOYSA-N 2 2 290.371 0.287 20 0 CCADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C/C=C\CO ZINC001353299339 892348057 /nfs/dbraw/zinc/34/80/57/892348057.db2.gz DCHUHDBXDDPOCA-IYKSTZQJSA-N 2 2 264.369 0.617 20 0 CCADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C/C=C\CO ZINC001353299339 892348076 /nfs/dbraw/zinc/34/80/76/892348076.db2.gz DCHUHDBXDDPOCA-IYKSTZQJSA-N 2 2 264.369 0.617 20 0 CCADLP Cc1cnc(C[NH2+]CCN(C)C(=O)Cn2c[nH+]cc2C)o1 ZINC001481257454 892442841 /nfs/dbraw/zinc/44/28/41/892442841.db2.gz FUTXOCUKNPKSOE-UHFFFAOYSA-N 2 2 291.355 0.736 20 0 CCADLP CCOCC[NH+]1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001481646253 892961539 /nfs/dbraw/zinc/96/15/39/892961539.db2.gz IKPGOTORIINTMG-UHFFFAOYSA-N 2 2 266.345 0.037 20 0 CCADLP Cc1nnc(C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C)o1 ZINC001482326986 893876147 /nfs/dbraw/zinc/87/61/47/893876147.db2.gz XDZPCSJKGLFIST-JTQLQIEISA-N 2 2 283.376 0.266 20 0 CCADLP C[C@H](C[NH2+]Cc1cncn1C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001482336034 893882882 /nfs/dbraw/zinc/88/28/82/893882882.db2.gz SGJFAQYUJHNAFJ-LLVKDONJSA-N 2 2 290.371 0.322 20 0 CCADLP CN(CC[N@H+](C)Cc1cncn1C)C(=O)[C@@H]1CCC[NH+]1C ZINC001482585074 894291219 /nfs/dbraw/zinc/29/12/19/894291219.db2.gz LDUZEODKNBLBFW-AWEZNQCLSA-N 2 2 293.415 0.405 20 0 CCADLP CN(CC[N@@H+](C)Cc1cncn1C)C(=O)[C@@H]1CCC[NH+]1C ZINC001482585074 894291233 /nfs/dbraw/zinc/29/12/33/894291233.db2.gz LDUZEODKNBLBFW-AWEZNQCLSA-N 2 2 293.415 0.405 20 0 CCADLP CN(CC[NH+](C)Cc1cncn1C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001482585074 894291244 /nfs/dbraw/zinc/29/12/44/894291244.db2.gz LDUZEODKNBLBFW-AWEZNQCLSA-N 2 2 293.415 0.405 20 0 CCADLP CN(CC[NH+](C)Cc1cncn1C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001482585074 894291256 /nfs/dbraw/zinc/29/12/56/894291256.db2.gz LDUZEODKNBLBFW-AWEZNQCLSA-N 2 2 293.415 0.405 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N1CC[C@@H](CC[NH2+]CCO)C1 ZINC001326423635 913947202 /nfs/dbraw/zinc/94/72/02/913947202.db2.gz HZQCBJAUFRHHTM-CYBMUJFWSA-N 2 2 294.399 0.173 20 0 CCADLP CC(C)CNC(=O)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC001326458741 913968266 /nfs/dbraw/zinc/96/82/66/913968266.db2.gz JRHUCWYKYLSPOZ-SNVBAGLBSA-N 2 2 250.346 0.917 20 0 CCADLP C[C@H](C[N@H+](C)C[C@@H]1CCCCO1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001483391136 895529331 /nfs/dbraw/zinc/52/93/31/895529331.db2.gz NNZVKYCIMJXNFL-OCCSQVGLSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H](C[N@@H+](C)C[C@@H]1CCCCO1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001483391136 895529342 /nfs/dbraw/zinc/52/93/42/895529342.db2.gz NNZVKYCIMJXNFL-OCCSQVGLSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H](C[N@H+](C)C[C@H]1CCOC1)NC(=O)Cc1c[nH+]cn1C ZINC001483409731 895546400 /nfs/dbraw/zinc/54/64/00/895546400.db2.gz TVFVYBGBCPXGET-CHWSQXEVSA-N 2 2 294.399 0.436 20 0 CCADLP C[C@H](C[N@@H+](C)C[C@H]1CCOC1)NC(=O)Cc1c[nH+]cn1C ZINC001483409731 895546411 /nfs/dbraw/zinc/54/64/11/895546411.db2.gz TVFVYBGBCPXGET-CHWSQXEVSA-N 2 2 294.399 0.436 20 0 CCADLP CCOCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001483671175 895828057 /nfs/dbraw/zinc/82/80/57/895828057.db2.gz VDTDPBIVGAKJGT-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP CCOCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001483671175 895828074 /nfs/dbraw/zinc/82/80/74/895828074.db2.gz VDTDPBIVGAKJGT-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP CCOCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001483671175 895828080 /nfs/dbraw/zinc/82/80/80/895828080.db2.gz VDTDPBIVGAKJGT-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP CCOCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001483671175 895828091 /nfs/dbraw/zinc/82/80/91/895828091.db2.gz VDTDPBIVGAKJGT-QWHCGFSZSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C[NH2+]CCCO ZINC001484369550 896362724 /nfs/dbraw/zinc/36/27/24/896362724.db2.gz OTOLSVSXXTWKEM-STQMWFEESA-N 2 2 294.399 0.409 20 0 CCADLP C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C[NH2+]CCCO ZINC001484369550 896362740 /nfs/dbraw/zinc/36/27/40/896362740.db2.gz OTOLSVSXXTWKEM-STQMWFEESA-N 2 2 294.399 0.409 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+]CC[C@@H]1CCCO1 ZINC001493773394 896362909 /nfs/dbraw/zinc/36/29/09/896362909.db2.gz CEAGDAHKGYEZAY-ZDUSSCGKSA-N 2 2 294.399 0.878 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CCO[C@@H](C[NH2+]C/C=C\Cl)C1 ZINC001484697190 896556888 /nfs/dbraw/zinc/55/68/88/896556888.db2.gz VVSWGAXELMIUPJ-BVBSBALXSA-N 2 2 298.774 0.522 20 0 CCADLP C[C@H](O)C[N@H+](C)CCCN(C)C(=O)CCn1cc[nH+]c1 ZINC001484752268 896587590 /nfs/dbraw/zinc/58/75/90/896587590.db2.gz RPUFAMLVFQNYKT-ZDUSSCGKSA-N 2 2 282.388 0.434 20 0 CCADLP C[C@H](O)C[N@@H+](C)CCCN(C)C(=O)CCn1cc[nH+]c1 ZINC001484752268 896587603 /nfs/dbraw/zinc/58/76/03/896587603.db2.gz RPUFAMLVFQNYKT-ZDUSSCGKSA-N 2 2 282.388 0.434 20 0 CCADLP C[C@H]([NH3+])C[N@@H+](C)CC1=C2CCOC(=O)C2=CN[C@H]1C ZINC001236885503 897096632 /nfs/dbraw/zinc/09/66/32/897096632.db2.gz LBUZRIWNXMCORI-UWVGGRQHSA-N 2 2 265.357 0.385 20 0 CCADLP C[C@H]([NH3+])C[N@H+](C)CC1=C2CCOC(=O)C2=CN[C@H]1C ZINC001236885503 897096616 /nfs/dbraw/zinc/09/66/16/897096616.db2.gz LBUZRIWNXMCORI-UWVGGRQHSA-N 2 2 265.357 0.385 20 0 CCADLP CC(C)[NH+]1CC([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001485531228 897109817 /nfs/dbraw/zinc/10/98/17/897109817.db2.gz RWRYUIZKIXIHQJ-SNVBAGLBSA-N 2 2 250.346 0.797 20 0 CCADLP CO[C@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1 ZINC001032550045 897733811 /nfs/dbraw/zinc/73/38/11/897733811.db2.gz AINBBTZDFUTMOE-RDBSUJKOSA-N 2 2 292.383 0.593 20 0 CCADLP CO[C@H](C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1cc[nH+]c1 ZINC001032550045 897733824 /nfs/dbraw/zinc/73/38/24/897733824.db2.gz AINBBTZDFUTMOE-RDBSUJKOSA-N 2 2 292.383 0.593 20 0 CCADLP CO[C@@H]1C[N@H+](CCF)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212410256 897889069 /nfs/dbraw/zinc/88/90/69/897889069.db2.gz PKJJKXKVYUNLRW-UPJWGTAASA-N 2 2 287.379 0.112 20 0 CCADLP CO[C@@H]1C[N@@H+](CCF)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212410256 897889073 /nfs/dbraw/zinc/88/90/73/897889073.db2.gz PKJJKXKVYUNLRW-UPJWGTAASA-N 2 2 287.379 0.112 20 0 CCADLP CCCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001043069844 897959260 /nfs/dbraw/zinc/95/92/60/897959260.db2.gz HXGGXGVHSGFDHO-TZMCWYRMSA-N 2 2 283.416 0.648 20 0 CCADLP CCCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001043069844 897959270 /nfs/dbraw/zinc/95/92/70/897959270.db2.gz HXGGXGVHSGFDHO-TZMCWYRMSA-N 2 2 283.416 0.648 20 0 CCADLP CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001272872785 898098208 /nfs/dbraw/zinc/09/82/08/898098208.db2.gz DHAZGQLIXVOQDG-NEPJUHHUSA-N 2 2 264.373 0.950 20 0 CCADLP CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001272872788 898099360 /nfs/dbraw/zinc/09/93/60/898099360.db2.gz DHAZGQLIXVOQDG-VXGBXAGGSA-N 2 2 264.373 0.950 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1CNC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001326844470 914226825 /nfs/dbraw/zinc/22/68/25/914226825.db2.gz UGAAVFDMLZKERJ-HOTGVXAUSA-N 2 2 296.459 0.075 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1CNC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001326844470 914226846 /nfs/dbraw/zinc/22/68/46/914226846.db2.gz UGAAVFDMLZKERJ-HOTGVXAUSA-N 2 2 296.459 0.075 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001485944420 898528784 /nfs/dbraw/zinc/52/87/84/898528784.db2.gz DPZDOINMOMSCLV-NEPJUHHUSA-N 2 2 282.388 0.434 20 0 CCADLP OCc1cc(-n2cc(C[NH2+]CC3CC3)nn2)cc[nH+]1 ZINC001326916533 914271101 /nfs/dbraw/zinc/27/11/01/914271101.db2.gz FRQVTHICJBHOOP-UHFFFAOYSA-N 2 2 259.313 0.654 20 0 CCADLP CC(C)C[NH2+]C[C@H](O)CN(C)C(=O)CCn1cc[nH+]c1 ZINC001486290903 898759946 /nfs/dbraw/zinc/75/99/46/898759946.db2.gz DWPGKVRJBJBWTP-ZDUSSCGKSA-N 2 2 282.388 0.338 20 0 CCADLP C[C@@H](O)C[N@H+]1CC=C(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001486516160 898921325 /nfs/dbraw/zinc/92/13/25/898921325.db2.gz AZJLVNQYLUXCEG-LLVKDONJSA-N 2 2 278.356 0.081 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC=C(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001486516160 898921334 /nfs/dbraw/zinc/92/13/34/898921334.db2.gz AZJLVNQYLUXCEG-LLVKDONJSA-N 2 2 278.356 0.081 20 0 CCADLP C[C@H](CN(C)C(=O)c1cccc2[nH+]ccn21)[NH2+]C[C@H](C)O ZINC001410433096 899404995 /nfs/dbraw/zinc/40/49/95/899404995.db2.gz RNIOSTAZNKIHBO-NEPJUHHUSA-N 2 2 290.367 0.765 20 0 CCADLP CN(C[C@@H](O)C[N@@H+](C)CC1CC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001411187940 899722658 /nfs/dbraw/zinc/72/26/58/899722658.db2.gz OJGOONBSRYAZFY-ZDUSSCGKSA-N 2 2 280.372 0.113 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCn1cc[nH+]c1 ZINC001488643359 900327651 /nfs/dbraw/zinc/32/76/51/900327651.db2.gz ARERWIWQQFYGEO-ZIAGYGMSSA-N 2 2 294.399 0.841 20 0 CCADLP CO[C@H](C)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCn1cc[nH+]c1 ZINC001488643359 900327655 /nfs/dbraw/zinc/32/76/55/900327655.db2.gz ARERWIWQQFYGEO-ZIAGYGMSSA-N 2 2 294.399 0.841 20 0 CCADLP C[C@H](O)CCC[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001488775391 900375969 /nfs/dbraw/zinc/37/59/69/900375969.db2.gz RTYKMYIKLYMKBO-RWMBFGLXSA-N 2 2 294.399 0.598 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)NC[C@H]1C[C@@H]([NH2+]CCF)C1 ZINC001488793236 900391602 /nfs/dbraw/zinc/39/16/02/900391602.db2.gz YJLVIHGHDFPUEG-TXEJJXNPSA-N 2 2 282.363 0.807 20 0 CCADLP C[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)Cc1cnon1 ZINC001490269779 900584111 /nfs/dbraw/zinc/58/41/11/900584111.db2.gz HAWOSSWBTXKYQJ-UHFFFAOYSA-N 2 2 293.371 0.104 20 0 CCADLP C[N@@H+](CCCNC(=O)C12CC[NH+](CC1)C2)Cc1cnon1 ZINC001490269779 900584117 /nfs/dbraw/zinc/58/41/17/900584117.db2.gz HAWOSSWBTXKYQJ-UHFFFAOYSA-N 2 2 293.371 0.104 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[N@@H+]1CCCF ZINC001323341978 901052441 /nfs/dbraw/zinc/05/24/41/901052441.db2.gz XCQZGQLIWMOFGU-LLVKDONJSA-N 2 2 268.336 0.811 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[N@H+]1CCCF ZINC001323341978 901052451 /nfs/dbraw/zinc/05/24/51/901052451.db2.gz XCQZGQLIWMOFGU-LLVKDONJSA-N 2 2 268.336 0.811 20 0 CCADLP O=C(N[C@H](CO)Cc1c[nH+]c[nH]1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001412483359 901758306 /nfs/dbraw/zinc/75/83/06/901758306.db2.gz CKHULDSDOOCOTE-MELADBBJSA-N 2 2 292.383 0.446 20 0 CCADLP O=C(N[C@H](CO)Cc1c[nH+]c[nH]1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001412483359 901758317 /nfs/dbraw/zinc/75/83/17/901758317.db2.gz CKHULDSDOOCOTE-MELADBBJSA-N 2 2 292.383 0.446 20 0 CCADLP CC(C)[NH+]1CCN(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001398290033 914603197 /nfs/dbraw/zinc/60/31/97/914603197.db2.gz WIVOIJYORYCLMC-UHFFFAOYSA-N 2 2 279.388 0.094 20 0 CCADLP Cn1cc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)nn1 ZINC001413156170 902748043 /nfs/dbraw/zinc/74/80/43/902748043.db2.gz MCBRWJYTARSVCH-UHFFFAOYSA-N 2 2 290.371 0.440 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC001413700942 903195883 /nfs/dbraw/zinc/19/58/83/903195883.db2.gz JMDCEYDXFRMMGU-UPJWGTAASA-N 2 2 277.372 0.617 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001413700942 903195888 /nfs/dbraw/zinc/19/58/88/903195888.db2.gz JMDCEYDXFRMMGU-UPJWGTAASA-N 2 2 277.372 0.617 20 0 CCADLP C[C@H](O)C[NH2+]C[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001491264319 903475345 /nfs/dbraw/zinc/47/53/45/903475345.db2.gz KIMRVSOKFDCTAY-WCQYABFASA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccon1 ZINC001491546758 903672310 /nfs/dbraw/zinc/67/23/10/903672310.db2.gz GSFRNDLDQHLSFO-CMPLNLGQSA-N 2 2 266.345 0.363 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1ccon1 ZINC001491546758 903672317 /nfs/dbraw/zinc/67/23/17/903672317.db2.gz GSFRNDLDQHLSFO-CMPLNLGQSA-N 2 2 266.345 0.363 20 0 CCADLP Cc1c(CN2CCN[C@]3(CC[NH2+]C3)C2)[nH+]c2ccccn21 ZINC001235050503 903968355 /nfs/dbraw/zinc/96/83/55/903968355.db2.gz DWHBIPYFWWUNRR-INIZCTEOSA-N 2 2 285.395 0.780 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCC[N@H+](CCO)C1 ZINC001398675148 914779312 /nfs/dbraw/zinc/77/93/12/914779312.db2.gz VDVFOFWHFCJVQA-LBPRGKRZSA-N 2 2 280.372 0.081 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCC[N@@H+](CCO)C1 ZINC001398675148 914779320 /nfs/dbraw/zinc/77/93/20/914779320.db2.gz VDVFOFWHFCJVQA-LBPRGKRZSA-N 2 2 280.372 0.081 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1[NH2+]CCCO ZINC001281410559 904278320 /nfs/dbraw/zinc/27/83/20/904278320.db2.gz YJEAODWRCYVBGC-YPMHNXCESA-N 2 2 280.372 0.161 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CCCO ZINC001281410559 904278332 /nfs/dbraw/zinc/27/83/32/904278332.db2.gz YJEAODWRCYVBGC-YPMHNXCESA-N 2 2 280.372 0.161 20 0 CCADLP CCOCC[NH+]1CC([C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001282742179 904536661 /nfs/dbraw/zinc/53/66/61/904536661.db2.gz XPCUCEUHAYETAN-LBPRGKRZSA-N 2 2 280.372 0.356 20 0 CCADLP CC[N@H+](C)CCOCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001283388885 904833757 /nfs/dbraw/zinc/83/37/57/904833757.db2.gz SUXVSANZRNHEBR-CYBMUJFWSA-N 2 2 294.399 0.530 20 0 CCADLP CC[N@@H+](C)CCOCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001283388885 904833776 /nfs/dbraw/zinc/83/37/76/904833776.db2.gz SUXVSANZRNHEBR-CYBMUJFWSA-N 2 2 294.399 0.530 20 0 CCADLP CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[C@@H](C)O ZINC001377488495 904937426 /nfs/dbraw/zinc/93/74/26/904937426.db2.gz JTRGCQNVJAYCCX-JHJVBQTASA-N 2 2 294.399 0.722 20 0 CCADLP CCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[C@@H](C)O ZINC001377488495 904937432 /nfs/dbraw/zinc/93/74/32/904937432.db2.gz JTRGCQNVJAYCCX-JHJVBQTASA-N 2 2 294.399 0.722 20 0 CCADLP CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[C@@H](C)O ZINC001377488495 904937442 /nfs/dbraw/zinc/93/74/42/904937442.db2.gz JTRGCQNVJAYCCX-JHJVBQTASA-N 2 2 294.399 0.722 20 0 CCADLP CCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[C@@H](C)O ZINC001377488495 904937455 /nfs/dbraw/zinc/93/74/55/904937455.db2.gz JTRGCQNVJAYCCX-JHJVBQTASA-N 2 2 294.399 0.722 20 0 CCADLP Cc1nocc1C[NH2+][C@H](C)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001377857734 905189114 /nfs/dbraw/zinc/18/91/14/905189114.db2.gz GTRQLYSZPIXEPA-ZJUUUORDSA-N 2 2 291.355 0.932 20 0 CCADLP COCC1=CCN(C(=O)NCC[NH+]2CCC([NH3+])CC2)CC1 ZINC001336964062 921129635 /nfs/dbraw/zinc/12/96/35/921129635.db2.gz VZJSLMDGZFBHIF-UHFFFAOYSA-N 2 2 296.415 0.398 20 0 CCADLP CC(C)OCC[NH+]1CC(NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001377938238 905260457 /nfs/dbraw/zinc/26/04/57/905260457.db2.gz WFBODKNCQMSVOI-AWEZNQCLSA-N 2 2 285.432 0.798 20 0 CCADLP CC[C@@H](C(=O)NC1C[NH+](CCC[C@H](C)O)C1)[NH+](C)C ZINC001377959414 905279188 /nfs/dbraw/zinc/27/91/88/905279188.db2.gz PFDRNRAZZZEIDK-AAEUAGOBSA-N 2 2 271.405 0.288 20 0 CCADLP CC[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]C[C@@H]1CCOC1 ZINC001378300143 905575132 /nfs/dbraw/zinc/57/51/32/905575132.db2.gz ZPWXMJWENCTOEW-UONOGXRCSA-N 2 2 294.399 0.794 20 0 CCADLP CC[C@@H](C[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1)OC ZINC001378514761 905649423 /nfs/dbraw/zinc/64/94/23/905649423.db2.gz WZUQUWWNGGGEGV-KGLIPLIRSA-N 2 2 294.399 0.958 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NC[C@H](C)C[NH2+]C[C@H](C)O ZINC001378579564 905695286 /nfs/dbraw/zinc/69/52/86/905695286.db2.gz MLWGYRKAXNVEOO-NEPJUHHUSA-N 2 2 295.383 0.355 20 0 CCADLP O=C(CC[N@H+]1CC[C@H](F)C1)NCCCn1cc[nH+]c1 ZINC001540322987 905882606 /nfs/dbraw/zinc/88/26/06/905882606.db2.gz GQXGECOYQGMHNH-LBPRGKRZSA-N 2 2 268.336 0.823 20 0 CCADLP O=C(CC[N@@H+]1CC[C@H](F)C1)NCCCn1cc[nH+]c1 ZINC001540322987 905882623 /nfs/dbraw/zinc/88/26/23/905882623.db2.gz GQXGECOYQGMHNH-LBPRGKRZSA-N 2 2 268.336 0.823 20 0 CCADLP CC(C)[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]C[C@H](C)O ZINC001378969790 905903843 /nfs/dbraw/zinc/90/38/43/905903843.db2.gz HCNYQZUAUVTPPQ-QWHCGFSZSA-N 2 2 282.388 0.384 20 0 CCADLP CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1cnon1)[NH+](C)C ZINC001379137921 906013313 /nfs/dbraw/zinc/01/33/13/906013313.db2.gz QKHUIJMTPTZWBT-YPMHNXCESA-N 2 2 297.403 0.592 20 0 CCADLP C[C@@H](O)C[NH2+][C@H](C)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001379181852 906045980 /nfs/dbraw/zinc/04/59/80/906045980.db2.gz NXYSVOUQQFSQBX-VXGBXAGGSA-N 2 2 282.388 0.170 20 0 CCADLP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1nc(C)no1)[NH+](C)C ZINC001379448392 906248112 /nfs/dbraw/zinc/24/81/12/906248112.db2.gz HNCLTLCHFWIHKP-MWLCHTKSSA-N 2 2 283.376 0.313 20 0 CCADLP CC1(C)CC(C[NH2+][C@H](CO)CNC(=O)Cn2cc[nH+]c2)C1 ZINC001379541405 906335553 /nfs/dbraw/zinc/33/55/53/906335553.db2.gz QORGILGEARNMFD-ZDUSSCGKSA-N 2 2 294.399 0.386 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CCC[N@@H+]1CCO ZINC001379648418 906407032 /nfs/dbraw/zinc/40/70/32/906407032.db2.gz OXKPOEFXDBTYEZ-YPMHNXCESA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CCC[N@H+]1CCO ZINC001379648418 906407042 /nfs/dbraw/zinc/40/70/42/906407042.db2.gz OXKPOEFXDBTYEZ-YPMHNXCESA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CCC[N@@H+]1CCO ZINC001379648418 906407055 /nfs/dbraw/zinc/40/70/55/906407055.db2.gz OXKPOEFXDBTYEZ-YPMHNXCESA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CCC[N@H+]1CCO ZINC001379648418 906407068 /nfs/dbraw/zinc/40/70/68/906407068.db2.gz OXKPOEFXDBTYEZ-YPMHNXCESA-N 2 2 280.372 0.304 20 0 CCADLP CC(C)[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001379842215 906499634 /nfs/dbraw/zinc/49/96/34/906499634.db2.gz MAXTYYFMMAGOJV-DGCLKSJQSA-N 2 2 282.388 0.406 20 0 CCADLP CC(C)[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001379842215 906499641 /nfs/dbraw/zinc/49/96/41/906499641.db2.gz MAXTYYFMMAGOJV-DGCLKSJQSA-N 2 2 282.388 0.406 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(CC[N@@H+](C)C[C@H](C)O)C(C)C ZINC001380046827 906603641 /nfs/dbraw/zinc/60/36/41/906603641.db2.gz OHCQEMJLITXOLB-LBPRGKRZSA-N 2 2 296.415 0.810 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(CC[N@H+](C)C[C@H](C)O)C(C)C ZINC001380046827 906603652 /nfs/dbraw/zinc/60/36/52/906603652.db2.gz OHCQEMJLITXOLB-LBPRGKRZSA-N 2 2 296.415 0.810 20 0 CCADLP C[C@@H]([NH2+]Cc1ccnn1C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001381447713 907209866 /nfs/dbraw/zinc/20/98/66/907209866.db2.gz NBJRFLCOLVCIBQ-NEPJUHHUSA-N 2 2 290.371 0.300 20 0 CCADLP C[C@@H](O)CCC[NH+]1CC([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001381813776 907412606 /nfs/dbraw/zinc/41/26/06/907412606.db2.gz OVYCBEVAHGBKFM-NEPJUHHUSA-N 2 2 294.399 0.550 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCF)C[C@H]21 ZINC001381932461 907460583 /nfs/dbraw/zinc/46/05/83/907460583.db2.gz MEVMPZKHNZLWAV-ZSOGYDGISA-N 2 2 294.374 0.616 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCCF)C[C@H]21 ZINC001381932461 907460591 /nfs/dbraw/zinc/46/05/91/907460591.db2.gz MEVMPZKHNZLWAV-ZSOGYDGISA-N 2 2 294.374 0.616 20 0 CCADLP C[C@@H](F)CC[NH2+][C@@H](C)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001491625445 907463552 /nfs/dbraw/zinc/46/35/52/907463552.db2.gz SOUWPCQIGCZZHR-ZJUUUORDSA-N 2 2 256.325 0.795 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1ncc(C)o1 ZINC001491650620 907484307 /nfs/dbraw/zinc/48/43/07/907484307.db2.gz RMPLTWFUFRARCI-NSHDSACASA-N 2 2 282.388 0.919 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1csnn1 ZINC001491684520 907498119 /nfs/dbraw/zinc/49/81/19/907498119.db2.gz WFNNJZREHMYCNI-JTQLQIEISA-N 2 2 285.417 0.473 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+]Cc1csnn1 ZINC001491684520 907498130 /nfs/dbraw/zinc/49/81/30/907498130.db2.gz WFNNJZREHMYCNI-JTQLQIEISA-N 2 2 285.417 0.473 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1nccs1 ZINC001491694403 907507213 /nfs/dbraw/zinc/50/72/13/907507213.db2.gz QLKLZLLPSPGXMG-SNVBAGLBSA-N 2 2 279.369 0.634 20 0 CCADLP C[C@@H](F)CC[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001491693426 907507813 /nfs/dbraw/zinc/50/78/13/907507813.db2.gz FLZDNJFMFQXZIS-GHMZBOCLSA-N 2 2 256.325 0.726 20 0 CCADLP COCCCC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001491860832 907633588 /nfs/dbraw/zinc/63/35/88/907633588.db2.gz HLMGGMOPTYABST-AWEZNQCLSA-N 2 2 294.399 0.748 20 0 CCADLP C[C@H](CCNC(=O)CCc1c[nH]c[nH+]1)[NH2+]C[C@H]1CCOC1 ZINC001492035696 907700472 /nfs/dbraw/zinc/70/04/72/907700472.db2.gz MXKGJZGZRVISCA-CHWSQXEVSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@H](CCNC(=O)CCc1c[nH+]c[nH]1)[NH2+]C[C@H]1CCOC1 ZINC001492035696 907700480 /nfs/dbraw/zinc/70/04/80/907700480.db2.gz MXKGJZGZRVISCA-CHWSQXEVSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@H]1CC[C@H](C[N@H+](C)CCNC(=O)CCc2c[nH]c[nH+]2)O1 ZINC001492271255 907820674 /nfs/dbraw/zinc/82/06/74/907820674.db2.gz IIBKUQRMBYHNEN-GXTWGEPZSA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H]1CC[C@H](C[N@@H+](C)CCNC(=O)CCc2c[nH]c[nH+]2)O1 ZINC001492271255 907820692 /nfs/dbraw/zinc/82/06/92/907820692.db2.gz IIBKUQRMBYHNEN-GXTWGEPZSA-N 2 2 294.399 0.958 20 0 CCADLP CC[C@@H](C[N@H+](C)CCNC(=O)Cc1c[nH]c[nH+]1)OC ZINC001492435765 907922495 /nfs/dbraw/zinc/92/24/95/907922495.db2.gz YWJRECZGGXDTNN-LBPRGKRZSA-N 2 2 268.361 0.425 20 0 CCADLP CC[C@@H](C[N@@H+](C)CCNC(=O)Cc1c[nH]c[nH+]1)OC ZINC001492435765 907922503 /nfs/dbraw/zinc/92/25/03/907922503.db2.gz YWJRECZGGXDTNN-LBPRGKRZSA-N 2 2 268.361 0.425 20 0 CCADLP C[NH+]1CCN(C(=O)NCCCCCN2CC[NH2+]CC2)CC1 ZINC001336960234 908035126 /nfs/dbraw/zinc/03/51/26/908035126.db2.gz UWBGCGCUHWXGIJ-UHFFFAOYSA-N 2 2 297.447 0.019 20 0 CCADLP C[C@@H](O)C[N@H+](C)CCNC(=O)CCCn1cc[nH+]c1 ZINC001317472979 908346486 /nfs/dbraw/zinc/34/64/86/908346486.db2.gz NSLKRNOJOVIKDT-GFCCVEGCSA-N 2 2 268.361 0.092 20 0 CCADLP C[C@@H](O)C[N@@H+](C)CCNC(=O)CCCn1cc[nH+]c1 ZINC001317472979 908346501 /nfs/dbraw/zinc/34/65/01/908346501.db2.gz NSLKRNOJOVIKDT-GFCCVEGCSA-N 2 2 268.361 0.092 20 0 CCADLP CC(C)[N@H+](C)CCOCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001316766469 908694842 /nfs/dbraw/zinc/69/48/42/908694842.db2.gz ISQJIJAYBQKRLT-UHFFFAOYSA-N 2 2 282.388 0.698 20 0 CCADLP CC(C)[N@@H+](C)CCOCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001316766469 908694848 /nfs/dbraw/zinc/69/48/48/908694848.db2.gz ISQJIJAYBQKRLT-UHFFFAOYSA-N 2 2 282.388 0.698 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@@H]([NH2+]CCOCC2CC2)C1 ZINC001317122113 908997521 /nfs/dbraw/zinc/99/75/21/908997521.db2.gz FSHDMYUVEWGZQI-BETUJISGSA-N 2 2 292.383 0.616 20 0 CCADLP COCCC[N@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317856944 909524869 /nfs/dbraw/zinc/52/48/69/909524869.db2.gz LIWXCUFXNPWRKG-CYBMUJFWSA-N 2 2 294.399 0.769 20 0 CCADLP COCCC[N@@H+](C)C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001317856944 909524883 /nfs/dbraw/zinc/52/48/83/909524883.db2.gz LIWXCUFXNPWRKG-CYBMUJFWSA-N 2 2 294.399 0.769 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC1C[NH+](CCOCC2CCC2)C1 ZINC001318088546 909614175 /nfs/dbraw/zinc/61/41/75/909614175.db2.gz ABCHWGMGDBFSQC-UHFFFAOYSA-N 2 2 297.443 0.944 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC1C[NH+](CCOCC2CCC2)C1 ZINC001318088546 909614181 /nfs/dbraw/zinc/61/41/81/909614181.db2.gz ABCHWGMGDBFSQC-UHFFFAOYSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CCCF ZINC001318580659 909822333 /nfs/dbraw/zinc/82/23/33/909822333.db2.gz FGMPQTMKQZHQCC-JTQLQIEISA-N 2 2 256.325 0.796 20 0 CCADLP CC[C@@H](C(=O)NCCN1CC[NH+](CCF)CC1)[NH+](C)C ZINC001389430028 909892946 /nfs/dbraw/zinc/89/29/46/909892946.db2.gz QGYCYGWCJZKSEJ-ZDUSSCGKSA-N 2 2 288.411 0.030 20 0 CCADLP COC[C@@H](C)[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001389691286 910033674 /nfs/dbraw/zinc/03/36/74/910033674.db2.gz MRKHVOCEGJFFRP-DGCLKSJQSA-N 2 2 280.372 0.402 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C[NH2+]CCF ZINC001319208693 910037379 /nfs/dbraw/zinc/03/73/79/910037379.db2.gz LVYNVSOPRWYQTH-VXGBXAGGSA-N 2 2 282.363 0.757 20 0 CCADLP C[N@H+](CCO)C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001389736975 910047621 /nfs/dbraw/zinc/04/76/21/910047621.db2.gz MZBMXEZEHYXFRR-GFCCVEGCSA-N 2 2 280.372 0.115 20 0 CCADLP C[N@@H+](CCO)C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001389736975 910047632 /nfs/dbraw/zinc/04/76/32/910047632.db2.gz MZBMXEZEHYXFRR-GFCCVEGCSA-N 2 2 280.372 0.115 20 0 CCADLP CC(C)CN(C)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001338688775 921545181 /nfs/dbraw/zinc/54/51/81/921545181.db2.gz VDHZCTDZTGJBRR-UHFFFAOYSA-N 2 2 256.394 0.707 20 0 CCADLP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001390008393 910183032 /nfs/dbraw/zinc/18/30/32/910183032.db2.gz HKJCGWJVTKAAFF-PHIMTYICSA-N 2 2 297.428 0.617 20 0 CCADLP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnsn2)C1 ZINC001390008393 910183040 /nfs/dbraw/zinc/18/30/40/910183040.db2.gz HKJCGWJVTKAAFF-PHIMTYICSA-N 2 2 297.428 0.617 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCC[N@@H+](C[C@H](C)O)C1 ZINC001390062937 910214566 /nfs/dbraw/zinc/21/45/66/910214566.db2.gz MQAMGFQAVUJKMV-AAEUAGOBSA-N 2 2 294.399 0.470 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCC[N@H+](C[C@H](C)O)C1 ZINC001390062937 910214583 /nfs/dbraw/zinc/21/45/83/910214583.db2.gz MQAMGFQAVUJKMV-AAEUAGOBSA-N 2 2 294.399 0.470 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]Cc1nncs1)[NH+](C)C ZINC001390511306 910483601 /nfs/dbraw/zinc/48/36/01/910483601.db2.gz UPGQAVNBWRCSKS-CMPLNLGQSA-N 2 2 299.444 0.719 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC[C@@H]1CCCCO1 ZINC001390547093 910508196 /nfs/dbraw/zinc/50/81/96/910508196.db2.gz SKRWVFSLCLQWRY-KGLIPLIRSA-N 2 2 294.399 0.937 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001390601373 910538450 /nfs/dbraw/zinc/53/84/50/910538450.db2.gz BZWPVHLAFVICAN-OLZOCXBDSA-N 2 2 294.399 0.172 20 0 CCADLP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccon1 ZINC001391062139 910840791 /nfs/dbraw/zinc/84/07/91/910840791.db2.gz LNAGOVQETWFLFX-CYBMUJFWSA-N 2 2 280.372 0.707 20 0 CCADLP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1Cc1ccon1 ZINC001391062139 910840805 /nfs/dbraw/zinc/84/08/05/910840805.db2.gz LNAGOVQETWFLFX-CYBMUJFWSA-N 2 2 280.372 0.707 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[C@H]1CC[N@H+](CCF)C1 ZINC001391333845 911048462 /nfs/dbraw/zinc/04/84/62/911048462.db2.gz JTGGENDPVOVLLA-LBPRGKRZSA-N 2 2 282.363 0.760 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[C@H]1CC[N@@H+](CCF)C1 ZINC001391333845 911048482 /nfs/dbraw/zinc/04/84/82/911048482.db2.gz JTGGENDPVOVLLA-LBPRGKRZSA-N 2 2 282.363 0.760 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@@](C)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001391799129 911403922 /nfs/dbraw/zinc/40/39/22/911403922.db2.gz CBZJPQPJUVFDEY-IUODEOHRSA-N 2 2 294.399 0.793 20 0 CCADLP C[C@H](C[NH2+]CCCF)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001321652894 911423992 /nfs/dbraw/zinc/42/39/92/911423992.db2.gz SDLRGGBPXWXRPY-IJLUTSLNSA-N 2 2 282.363 0.978 20 0 CCADLP C[C@@H](O)CCC[NH2+]C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001321661453 911431850 /nfs/dbraw/zinc/43/18/50/911431850.db2.gz LDPANSJTTUKKEP-GHMZBOCLSA-N 2 2 268.361 0.208 20 0 CCADLP C[C@H](C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2)n1cc[nH+]c1 ZINC001321718190 911460840 /nfs/dbraw/zinc/46/08/40/911460840.db2.gz KMIFCVQAEVODTN-DGCLKSJQSA-N 2 2 262.357 0.997 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]C[C@H]1CCCOC1 ZINC001391965880 911488047 /nfs/dbraw/zinc/48/80/47/911488047.db2.gz MBIZWASSTOYPAJ-UONOGXRCSA-N 2 2 294.399 0.652 20 0 CCADLP Cc1noc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001392054080 911552520 /nfs/dbraw/zinc/55/25/20/911552520.db2.gz WJZOLHSLIPOXJB-ZYHUDNBSSA-N 2 2 295.387 0.409 20 0 CCADLP Cc1noc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001392054080 911552533 /nfs/dbraw/zinc/55/25/33/911552533.db2.gz WJZOLHSLIPOXJB-ZYHUDNBSSA-N 2 2 295.387 0.409 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H](C)C[NH2+]C[C@H]1CCOC1 ZINC001392128625 911592454 /nfs/dbraw/zinc/59/24/54/911592454.db2.gz VCZNXGBMAKVZGL-WCQYABFASA-N 2 2 294.399 0.734 20 0 CCADLP Cc1noc(C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)C(C)C)n1 ZINC001392138671 911593970 /nfs/dbraw/zinc/59/39/70/911593970.db2.gz PDIWCRILPUGYOF-LLVKDONJSA-N 2 2 297.403 0.655 20 0 CCADLP Cc1noc(C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C(C)C)n1 ZINC001392138671 911593982 /nfs/dbraw/zinc/59/39/82/911593982.db2.gz PDIWCRILPUGYOF-LLVKDONJSA-N 2 2 297.403 0.655 20 0 CCADLP C[C@@H](CC(=O)N[C@@H]1CCC[N@@H+](CCO)C1)n1cc[nH+]c1 ZINC001417910702 921699151 /nfs/dbraw/zinc/69/91/51/921699151.db2.gz DMNSDDIBLPOZSC-QWHCGFSZSA-N 2 2 280.372 0.407 20 0 CCADLP CNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001392658847 912057807 /nfs/dbraw/zinc/05/78/07/912057807.db2.gz QDCXCTJWHAXYQH-QWHCGFSZSA-N 2 2 298.431 0.042 20 0 CCADLP CNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001392658847 912057819 /nfs/dbraw/zinc/05/78/19/912057819.db2.gz QDCXCTJWHAXYQH-QWHCGFSZSA-N 2 2 298.431 0.042 20 0 CCADLP CNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001392658847 912057831 /nfs/dbraw/zinc/05/78/31/912057831.db2.gz QDCXCTJWHAXYQH-QWHCGFSZSA-N 2 2 298.431 0.042 20 0 CCADLP CNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001392658847 912057850 /nfs/dbraw/zinc/05/78/50/912057850.db2.gz QDCXCTJWHAXYQH-QWHCGFSZSA-N 2 2 298.431 0.042 20 0 CCADLP CC[NH2+][C@@H](C)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001398932541 914962919 /nfs/dbraw/zinc/96/29/19/914962919.db2.gz LYTWXLYANOLXTE-GXFFZTMASA-N 2 2 279.388 0.904 20 0 CCADLP CC[NH2+][C@@H](C)CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001398932541 914962935 /nfs/dbraw/zinc/96/29/35/914962935.db2.gz LYTWXLYANOLXTE-GXFFZTMASA-N 2 2 279.388 0.904 20 0 CCADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1cncn1C ZINC001399045957 915017000 /nfs/dbraw/zinc/01/70/00/915017000.db2.gz PHFRTXPILFPSAT-GFCCVEGCSA-N 2 2 290.371 0.301 20 0 CCADLP CCc1cnc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)o1 ZINC001399101214 915046146 /nfs/dbraw/zinc/04/61/46/915046146.db2.gz FFWCAAQNOQLKFO-VXGBXAGGSA-N 2 2 294.399 0.783 20 0 CCADLP CCc1cnc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)C2)o1 ZINC001399101214 915046158 /nfs/dbraw/zinc/04/61/58/915046158.db2.gz FFWCAAQNOQLKFO-VXGBXAGGSA-N 2 2 294.399 0.783 20 0 CCADLP C[C@H](O)C[N@@H+]1CCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001399907593 915432998 /nfs/dbraw/zinc/43/29/98/915432998.db2.gz XTXMIAOLQXEGGM-UONOGXRCSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@H](O)C[N@H+]1CCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001399907593 915433009 /nfs/dbraw/zinc/43/30/09/915433009.db2.gz XTXMIAOLQXEGGM-UONOGXRCSA-N 2 2 294.399 0.625 20 0 CCADLP CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001400298008 915669652 /nfs/dbraw/zinc/66/96/52/915669652.db2.gz QYOGYEJRBIQGPS-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001400298008 915669656 /nfs/dbraw/zinc/66/96/56/915669656.db2.gz QYOGYEJRBIQGPS-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001400298008 915669665 /nfs/dbraw/zinc/66/96/65/915669665.db2.gz QYOGYEJRBIQGPS-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001400298008 915669672 /nfs/dbraw/zinc/66/96/72/915669672.db2.gz QYOGYEJRBIQGPS-CYBMUJFWSA-N 2 2 298.431 0.045 20 0 CCADLP COC1CC[NH+](Cc2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC001329245682 915768267 /nfs/dbraw/zinc/76/82/67/915768267.db2.gz UEEUPTLDUIFFRG-LBPRGKRZSA-N 2 2 265.361 0.423 20 0 CCADLP CC[C@H](C[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1)OC ZINC001400657267 915856719 /nfs/dbraw/zinc/85/67/19/915856719.db2.gz DPJHOUVCJHWNJQ-ZIAGYGMSSA-N 2 2 294.399 0.958 20 0 CCADLP CC[C@H](C[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1)OC ZINC001400657267 915856735 /nfs/dbraw/zinc/85/67/35/915856735.db2.gz DPJHOUVCJHWNJQ-ZIAGYGMSSA-N 2 2 294.399 0.958 20 0 CCADLP CC[C@H](C[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1)OC ZINC001400657267 915856760 /nfs/dbraw/zinc/85/67/60/915856760.db2.gz DPJHOUVCJHWNJQ-ZIAGYGMSSA-N 2 2 294.399 0.958 20 0 CCADLP CC[C@H](C[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1)OC ZINC001400657267 915856771 /nfs/dbraw/zinc/85/67/71/915856771.db2.gz DPJHOUVCJHWNJQ-ZIAGYGMSSA-N 2 2 294.399 0.958 20 0 CCADLP [NH3+][C@H](c1noc([C@@H]2C[NH2+]CCO2)n1)c1ccccc1 ZINC001329408565 915889550 /nfs/dbraw/zinc/88/95/50/915889550.db2.gz BVFSMUOQHIYFNU-QWRGUYRKSA-N 2 2 260.297 0.779 20 0 CCADLP CC[C@@H]1C[N@H+](C[C@H]2CCS(=O)(=O)C2)CC[C@@H]1[NH3+] ZINC001329499933 915964802 /nfs/dbraw/zinc/96/48/02/915964802.db2.gz WUXMQQBSBGMOAM-UTUOFQBUSA-N 2 2 260.403 0.480 20 0 CCADLP CC[C@@H]1C[N@@H+](C[C@H]2CCS(=O)(=O)C2)CC[C@@H]1[NH3+] ZINC001329499933 915964819 /nfs/dbraw/zinc/96/48/19/915964819.db2.gz WUXMQQBSBGMOAM-UTUOFQBUSA-N 2 2 260.403 0.480 20 0 CCADLP C[NH2+]CC1CCN(C(=O)[C@H](C)n2cc[nH+]c2)CC1 ZINC001329561540 916010792 /nfs/dbraw/zinc/01/07/92/916010792.db2.gz LAZLPZWNZRIOOK-NSHDSACASA-N 2 2 250.346 0.902 20 0 CCADLP C[C@@H](C(=O)N[C@H]1CC[NH2+]CC1(C)C)n1cc[nH+]c1 ZINC001329568680 916017509 /nfs/dbraw/zinc/01/75/09/916017509.db2.gz KWNBMGDTYFGLON-QWRGUYRKSA-N 2 2 250.346 0.948 20 0 CCADLP CCC[N@@H+]1CCO[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001401161699 916079738 /nfs/dbraw/zinc/07/97/38/916079738.db2.gz LJBFJHURBDTFBI-ZDUSSCGKSA-N 2 2 280.372 0.419 20 0 CCADLP CCC[N@H+]1CCO[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001401161699 916079751 /nfs/dbraw/zinc/07/97/51/916079751.db2.gz LJBFJHURBDTFBI-ZDUSSCGKSA-N 2 2 280.372 0.419 20 0 CCADLP C[C@@H](C[NH2+]CC1CC1)N(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001401254020 916147788 /nfs/dbraw/zinc/14/77/88/916147788.db2.gz CTDDATJXBFSAJO-ZDUSSCGKSA-N 2 2 297.443 0.944 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH+]cn1C ZINC001401256446 916149003 /nfs/dbraw/zinc/14/90/03/916149003.db2.gz JAXGWZFCMAPQKH-OLZOCXBDSA-N 2 2 296.415 0.824 20 0 CCADLP Cc1nnc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001401264674 916156456 /nfs/dbraw/zinc/15/64/56/916156456.db2.gz YUALWBSZUCRQDC-PWSUYJOCSA-N 2 2 295.387 0.266 20 0 CCADLP Cc1nnc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CC[N@@H+](C)C2)o1 ZINC001401264674 916156467 /nfs/dbraw/zinc/15/64/67/916156467.db2.gz YUALWBSZUCRQDC-PWSUYJOCSA-N 2 2 295.387 0.266 20 0 CCADLP CC(C)C[C@@H](C(=O)NC[C@@H](O)C[NH2+]C(C)C)n1cc[nH+]c1 ZINC001401535290 916306812 /nfs/dbraw/zinc/30/68/12/916306812.db2.gz DYUSQQRQOSTSHM-KBPBESRZSA-N 2 2 296.415 0.945 20 0 CCADLP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1C[NH+](CCCF)C1 ZINC001330054358 916383116 /nfs/dbraw/zinc/38/31/16/916383116.db2.gz OGJHEHHYYWBUSE-SNVBAGLBSA-N 2 2 268.336 0.748 20 0 CCADLP Cc1ccncc1C[NH2+]C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001401711532 916503011 /nfs/dbraw/zinc/50/30/11/916503011.db2.gz OYTQZTLYWZXUDX-LBPRGKRZSA-N 2 2 287.367 0.950 20 0 CCADLP CO[C@H](C)C[N@H+](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001401761589 916576023 /nfs/dbraw/zinc/57/60/23/916576023.db2.gz RLISROKAQMUPDK-CHWSQXEVSA-N 2 2 282.388 0.745 20 0 CCADLP CO[C@H](C)C[N@@H+](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001401761589 916576038 /nfs/dbraw/zinc/57/60/38/916576038.db2.gz RLISROKAQMUPDK-CHWSQXEVSA-N 2 2 282.388 0.745 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC001330593504 916725963 /nfs/dbraw/zinc/72/59/63/916725963.db2.gz QELMHZRFESDFNH-VSVUCHCSSA-N 2 2 281.400 0.379 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC001330593504 916725971 /nfs/dbraw/zinc/72/59/71/916725971.db2.gz QELMHZRFESDFNH-VSVUCHCSSA-N 2 2 281.400 0.379 20 0 CCADLP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001330744588 916833099 /nfs/dbraw/zinc/83/30/99/916833099.db2.gz FWSBEWRINQRKMU-VXGBXAGGSA-N 2 2 262.357 0.513 20 0 CCADLP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001330744588 916833112 /nfs/dbraw/zinc/83/31/12/916833112.db2.gz FWSBEWRINQRKMU-VXGBXAGGSA-N 2 2 262.357 0.513 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@]1(C)CC[N@H+](CCCO)C1 ZINC001402142335 916835495 /nfs/dbraw/zinc/83/54/95/916835495.db2.gz QUGRKSCDMOMXFM-WFASDCNBSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@]1(C)CC[N@@H+](CCCO)C1 ZINC001402142335 916835510 /nfs/dbraw/zinc/83/55/10/916835510.db2.gz QUGRKSCDMOMXFM-WFASDCNBSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@]1(C)CC[N@H+](CCCO)C1 ZINC001402142335 916835523 /nfs/dbraw/zinc/83/55/23/916835523.db2.gz QUGRKSCDMOMXFM-WFASDCNBSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@]1(C)CC[N@@H+](CCCO)C1 ZINC001402142335 916835536 /nfs/dbraw/zinc/83/55/36/916835536.db2.gz QUGRKSCDMOMXFM-WFASDCNBSA-N 2 2 294.399 0.551 20 0 CCADLP CC(C)[N@@H+]1CC[C@](O)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001402292288 916936508 /nfs/dbraw/zinc/93/65/08/916936508.db2.gz QOOWHPIBMJKAJN-HNNXBMFYSA-N 2 2 294.399 0.314 20 0 CCADLP CC(C)[N@H+]1CC[C@](O)(CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001402292288 916936513 /nfs/dbraw/zinc/93/65/13/916936513.db2.gz QOOWHPIBMJKAJN-HNNXBMFYSA-N 2 2 294.399 0.314 20 0 CCADLP CCCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001402359233 916977716 /nfs/dbraw/zinc/97/77/16/916977716.db2.gz MPKIMKNMXMIVHB-ZDUSSCGKSA-N 2 2 283.416 0.434 20 0 CCADLP CCCC[NH+]1CC(O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001402359233 916977730 /nfs/dbraw/zinc/97/77/30/916977730.db2.gz MPKIMKNMXMIVHB-ZDUSSCGKSA-N 2 2 283.416 0.434 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001402461983 917034811 /nfs/dbraw/zinc/03/48/11/917034811.db2.gz PULDMOMFLOZKAJ-JQWIXIFHSA-N 2 2 280.372 0.486 20 0 CCADLP CC(C)[NH2+]CCN(CCO)C(=O)c1cccc2[nH+]ccn21 ZINC001402478081 917047682 /nfs/dbraw/zinc/04/76/82/917047682.db2.gz KTLVXLMEZPERGF-UHFFFAOYSA-N 2 2 290.367 0.767 20 0 CCADLP C[C@]1(C[NH3+])CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001331226032 917197928 /nfs/dbraw/zinc/19/79/28/917197928.db2.gz XKALTXUJSNLWJW-BXUZGUMPSA-N 2 2 262.357 0.643 20 0 CCADLP C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]CCn1cccn1 ZINC001403005418 917416995 /nfs/dbraw/zinc/41/69/95/917416995.db2.gz AUVJKSDTOPOZBE-RYUDHWBXSA-N 2 2 290.371 0.332 20 0 CCADLP CCc1nnc(C[NH2+][C@H](C)CNC(=O)[C@H](CC)[NH+](C)C)o1 ZINC001403086425 917464432 /nfs/dbraw/zinc/46/44/32/917464432.db2.gz PMJWSKRXISWMDY-MNOVXSKESA-N 2 2 297.403 0.567 20 0 CCADLP Cc1cnc(C[NH2+][C@H](C)CNC(=O)C[NH+]2CCCC2)o1 ZINC001403127212 917509429 /nfs/dbraw/zinc/50/94/29/917509429.db2.gz CHLIDDXJMLGXKP-LLVKDONJSA-N 2 2 280.372 0.673 20 0 CCADLP CCc1noc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001403134747 917515795 /nfs/dbraw/zinc/51/57/95/917515795.db2.gz JFTUCGMYZAISQM-MNOVXSKESA-N 2 2 295.387 0.178 20 0 CCADLP CCc1noc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001403134747 917515809 /nfs/dbraw/zinc/51/58/09/917515809.db2.gz JFTUCGMYZAISQM-MNOVXSKESA-N 2 2 295.387 0.178 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC[C@@H]1CCOC1 ZINC001403134382 917516119 /nfs/dbraw/zinc/51/61/19/917516119.db2.gz JJBNXDKGQBVTEX-CHWSQXEVSA-N 2 2 280.372 0.404 20 0 CCADLP Cc1noc([C@H](C)[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C(C)C)n1 ZINC001403169177 917553074 /nfs/dbraw/zinc/55/30/74/917553074.db2.gz PVKJAZXOUMASPC-QWRGUYRKSA-N 2 2 297.403 0.874 20 0 CCADLP Cc1noc([C@H](C)[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)C(C)C)n1 ZINC001403169177 917553081 /nfs/dbraw/zinc/55/30/81/917553081.db2.gz PVKJAZXOUMASPC-QWRGUYRKSA-N 2 2 297.403 0.874 20 0 CCADLP CC[C@@H](C(=O)NC1(CCO)C[NH+](CC2CC2)C1)[NH+](C)C ZINC001403227639 917603028 /nfs/dbraw/zinc/60/30/28/917603028.db2.gz OVWVVFGYLJRPKU-ZDUSSCGKSA-N 2 2 283.416 0.290 20 0 CCADLP COCC[N@H+](C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001403326933 917650754 /nfs/dbraw/zinc/65/07/54/917650754.db2.gz ZGCUARJAZQHHDD-GFCCVEGCSA-N 2 2 280.372 0.521 20 0 CCADLP COCC[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001403326933 917650762 /nfs/dbraw/zinc/65/07/62/917650762.db2.gz ZGCUARJAZQHHDD-GFCCVEGCSA-N 2 2 280.372 0.521 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[N@@H+](C)Cc1ccnn1C ZINC001403624344 917853385 /nfs/dbraw/zinc/85/33/85/917853385.db2.gz IFULJNPNTSMESA-UHFFFAOYSA-N 2 2 290.371 0.173 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NCC[N@H+](C)Cc1ccnn1C ZINC001403624344 917853400 /nfs/dbraw/zinc/85/34/00/917853400.db2.gz IFULJNPNTSMESA-UHFFFAOYSA-N 2 2 290.371 0.173 20 0 CCADLP CC[N@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+]Cc1csnn1 ZINC001403629224 917863659 /nfs/dbraw/zinc/86/36/59/917863659.db2.gz LKHQKNMDLXMEFL-NSHDSACASA-N 2 2 299.444 0.816 20 0 CCADLP CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+]Cc1csnn1 ZINC001403629224 917863670 /nfs/dbraw/zinc/86/36/70/917863670.db2.gz LKHQKNMDLXMEFL-NSHDSACASA-N 2 2 299.444 0.816 20 0 CCADLP CCC[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1nc(C)no1 ZINC001403643112 917878833 /nfs/dbraw/zinc/87/88/33/917878833.db2.gz VCLOVWQXGYCRIS-NSHDSACASA-N 2 2 297.403 0.656 20 0 CCADLP CCC[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1nc(C)no1 ZINC001403643112 917878844 /nfs/dbraw/zinc/87/88/44/917878844.db2.gz VCLOVWQXGYCRIS-NSHDSACASA-N 2 2 297.403 0.656 20 0 CCADLP CC1CC(C[NH2+]C[C@@H](O)CN(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001403892374 918098623 /nfs/dbraw/zinc/09/86/23/918098623.db2.gz ZREGMPBZTKGDAT-JXQTWKCFSA-N 2 2 294.399 0.338 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1C[C@H]1CCCS(=O)(=O)C1 ZINC001332745086 918415962 /nfs/dbraw/zinc/41/59/62/918415962.db2.gz RYQYWNSMVNQRIJ-IJLUTSLNSA-N 2 2 260.403 0.623 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@H]1CCCS(=O)(=O)C1 ZINC001332745086 918415971 /nfs/dbraw/zinc/41/59/71/918415971.db2.gz RYQYWNSMVNQRIJ-IJLUTSLNSA-N 2 2 260.403 0.623 20 0 CCADLP C[C@H]1CC[C@@H](C[NH+]2CC(NC(=O)C3(C[NH+](C)C)CC3)C2)O1 ZINC001404803900 918470635 /nfs/dbraw/zinc/47/06/35/918470635.db2.gz FMCXRRAJVSUOSK-JSGCOSHPSA-N 2 2 295.427 0.696 20 0 CCADLP CC(C)C[NH+]1CC(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001404838603 918486536 /nfs/dbraw/zinc/48/65/36/918486536.db2.gz OXGYSIDWMZXQGY-ZDUSSCGKSA-N 2 2 283.416 0.411 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC1C[NH+](C[C@H]2CCOC2)C1 ZINC001404931105 918522085 /nfs/dbraw/zinc/52/20/85/918522085.db2.gz MVOSZGAZZWEYDH-GFCCVEGCSA-N 2 2 292.383 0.345 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001332924519 918536931 /nfs/dbraw/zinc/53/69/31/918536931.db2.gz RYDNDHYYIRERLL-PHIMTYICSA-N 2 2 250.346 0.717 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC2(CC[NH2+]2)CC1 ZINC001332977045 918575890 /nfs/dbraw/zinc/57/58/90/918575890.db2.gz VYQVGWIISJHUDX-GHMZBOCLSA-N 2 2 260.341 0.868 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC2(CC[NH2+]2)CC1 ZINC001332977045 918575903 /nfs/dbraw/zinc/57/59/03/918575903.db2.gz VYQVGWIISJHUDX-GHMZBOCLSA-N 2 2 260.341 0.868 20 0 CCADLP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3CCN(C4CC4)C3=O)CC[C@@H]21 ZINC001333052806 918622343 /nfs/dbraw/zinc/62/23/43/918622343.db2.gz DVZAKVZNTMBMCQ-XBFCOCLRSA-N 2 2 263.385 0.776 20 0 CCADLP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CCN(C4CC4)C3=O)CC[C@@H]21 ZINC001333052806 918622358 /nfs/dbraw/zinc/62/23/58/918622358.db2.gz DVZAKVZNTMBMCQ-XBFCOCLRSA-N 2 2 263.385 0.776 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CCN(C4CC4)C3=O)CC[C@@H]21 ZINC001333052806 918622372 /nfs/dbraw/zinc/62/23/72/918622372.db2.gz DVZAKVZNTMBMCQ-XBFCOCLRSA-N 2 2 263.385 0.776 20 0 CCADLP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CCN(C4CC4)C3=O)CC[C@@H]21 ZINC001333052806 918622386 /nfs/dbraw/zinc/62/23/86/918622386.db2.gz DVZAKVZNTMBMCQ-XBFCOCLRSA-N 2 2 263.385 0.776 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001405514074 918785418 /nfs/dbraw/zinc/78/54/18/918785418.db2.gz DDDWVHVEDNZBSZ-AVGNSLFASA-N 2 2 294.399 0.740 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001405514074 918785438 /nfs/dbraw/zinc/78/54/38/918785438.db2.gz DDDWVHVEDNZBSZ-AVGNSLFASA-N 2 2 294.399 0.740 20 0 CCADLP OC[C@@H](O)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC001333308475 918790189 /nfs/dbraw/zinc/79/01/89/918790189.db2.gz NPGHICAERDWBAY-AWEZNQCLSA-N 2 2 267.373 0.729 20 0 CCADLP CO[C@H](C)C[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001406072445 919025456 /nfs/dbraw/zinc/02/54/56/919025456.db2.gz HASQVLCPHAXHAT-OLZOCXBDSA-N 2 2 282.388 0.648 20 0 CCADLP COCn1ncc(C)c1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC001333651172 919073170 /nfs/dbraw/zinc/07/31/70/919073170.db2.gz QTFIWECYIZFDAA-UHFFFAOYSA-N 2 2 296.415 0.732 20 0 CCADLP C[C@H](C[NH2+]Cc1cnon1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001406408449 919241250 /nfs/dbraw/zinc/24/12/50/919241250.db2.gz UPVXPMGXYWWBNG-GFCCVEGCSA-N 2 2 295.387 0.396 20 0 CCADLP Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)o1 ZINC001406404270 919242036 /nfs/dbraw/zinc/24/20/36/919242036.db2.gz YRCAIPPNPOEPNH-GHMZBOCLSA-N 2 2 295.387 0.314 20 0 CCADLP Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)o1 ZINC001406404270 919242048 /nfs/dbraw/zinc/24/20/48/919242048.db2.gz YRCAIPPNPOEPNH-GHMZBOCLSA-N 2 2 295.387 0.314 20 0 CCADLP C[C@H](C(=O)N1CC[NH+](CCCCCO)CC1)n1cc[nH+]c1 ZINC001334252922 919457097 /nfs/dbraw/zinc/45/70/97/919457097.db2.gz NYHNGNPEAYVBST-CQSZACIVSA-N 2 2 294.399 0.751 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C1CCCC1 ZINC001407177049 919649903 /nfs/dbraw/zinc/64/99/03/919649903.db2.gz UVXNWVRAZKXQAK-OCCSQVGLSA-N 2 2 294.399 0.529 20 0 CCADLP CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001407392698 919738377 /nfs/dbraw/zinc/73/83/77/919738377.db2.gz RPXMRJYOUKOTKN-JMSVASOKSA-N 2 2 292.383 0.476 20 0 CCADLP CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001407392698 919738389 /nfs/dbraw/zinc/73/83/89/919738389.db2.gz RPXMRJYOUKOTKN-JMSVASOKSA-N 2 2 292.383 0.476 20 0 CCADLP CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001407392698 919738401 /nfs/dbraw/zinc/73/84/01/919738401.db2.gz RPXMRJYOUKOTKN-JMSVASOKSA-N 2 2 292.383 0.476 20 0 CCADLP CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001407392698 919738410 /nfs/dbraw/zinc/73/84/10/919738410.db2.gz RPXMRJYOUKOTKN-JMSVASOKSA-N 2 2 292.383 0.476 20 0 CCADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001334859478 919806694 /nfs/dbraw/zinc/80/66/94/919806694.db2.gz XCVMKXMCNWPDPW-TUAOUCFPSA-N 2 2 260.341 0.266 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)C1CC[NH+](C)CC1 ZINC001334906373 919826783 /nfs/dbraw/zinc/82/67/83/919826783.db2.gz UKQXBHHXDGJCIY-UHFFFAOYSA-N 2 2 250.346 0.421 20 0 CCADLP CC(C)[NH2+]CCN(CCO)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001407649738 919841446 /nfs/dbraw/zinc/84/14/46/919841446.db2.gz CILTUQFFKVNSAE-ZDUSSCGKSA-N 2 2 294.399 0.264 20 0 CCADLP CCC[N@H+](C)CCC(=O)N[C@@H]1COC2(C[NH+](CC)C2)C1 ZINC001407972021 919971339 /nfs/dbraw/zinc/97/13/39/919971339.db2.gz KOOGKRUCCDRAHO-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP CCC[N@@H+](C)CCC(=O)N[C@@H]1COC2(C[NH+](CC)C2)C1 ZINC001407972021 919971350 /nfs/dbraw/zinc/97/13/50/919971350.db2.gz KOOGKRUCCDRAHO-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP [NH3+]C1(CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC001335690253 920372111 /nfs/dbraw/zinc/37/21/11/920372111.db2.gz QPAYALLNJHBGRK-UHFFFAOYSA-N 2 2 263.345 0.790 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC001335842659 920475627 /nfs/dbraw/zinc/47/56/27/920475627.db2.gz MEIYXUPVCZMGQT-SCVCMEIPSA-N 2 2 250.346 0.784 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC001335842659 920475637 /nfs/dbraw/zinc/47/56/37/920475637.db2.gz MEIYXUPVCZMGQT-SCVCMEIPSA-N 2 2 250.346 0.784 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC001335842654 920476387 /nfs/dbraw/zinc/47/63/87/920476387.db2.gz MEIYXUPVCZMGQT-CKYFFXLPSA-N 2 2 250.346 0.784 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC001335842654 920476393 /nfs/dbraw/zinc/47/63/93/920476393.db2.gz MEIYXUPVCZMGQT-CKYFFXLPSA-N 2 2 250.346 0.784 20 0 CCADLP Nc1ccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)nn1 ZINC001336287246 920701651 /nfs/dbraw/zinc/70/16/51/920701651.db2.gz ZGGLUKDGTOUPKH-MRVPVSSYSA-N 2 2 257.288 0.393 20 0 CCADLP [NH3+]C[C@@]12CC[C@H]1CCN2C(=O)NCCCn1cc[nH+]c1 ZINC001336735115 920966108 /nfs/dbraw/zinc/96/61/08/920966108.db2.gz FDXLGEHFDXVOGU-JSGCOSHPSA-N 2 2 277.372 0.796 20 0 CCADLP O[C@H](C[NH2+][C@H]1CCn2c[nH+]cc2C1)C[NH+]1CCCC1 ZINC001336815168 921033228 /nfs/dbraw/zinc/03/32/28/921033228.db2.gz YQPYMTVWSXIZRC-GXTWGEPZSA-N 3 2 264.373 0.244 20 0 CCADLP CCc1nnc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001418209984 921916262 /nfs/dbraw/zinc/91/62/62/921916262.db2.gz GJAOSWVGNNDRPK-MNOVXSKESA-N 2 2 295.387 0.321 20 0 CCADLP CCc1nnc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001418209984 921916279 /nfs/dbraw/zinc/91/62/79/921916279.db2.gz GJAOSWVGNNDRPK-MNOVXSKESA-N 2 2 295.387 0.321 20 0 CCADLP C[C@H](CNC(=O)[C@]12C[C@H]1CCC[NH2+]2)Cn1cc[nH+]c1 ZINC001340044017 921927184 /nfs/dbraw/zinc/92/71/84/921927184.db2.gz FAJYAUXRZJBVOE-BZPMIXESSA-N 2 2 262.357 0.778 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)C[C@H]([NH3+])C(F)F)C[N@@H+]1C1CC1 ZINC001340111430 921960506 /nfs/dbraw/zinc/96/05/06/921960506.db2.gz BYCPMGHFVDUZPX-WEDXCCLWSA-N 2 2 261.316 0.710 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)C[C@H]([NH3+])C(F)F)C[N@H+]1C1CC1 ZINC001340111430 921960518 /nfs/dbraw/zinc/96/05/18/921960518.db2.gz BYCPMGHFVDUZPX-WEDXCCLWSA-N 2 2 261.316 0.710 20 0 CCADLP C[N@H+](CCNC(=O)CCc1c[nH]c[nH+]1)CC[C@H]1CCOC1 ZINC001418466029 922149500 /nfs/dbraw/zinc/14/95/00/922149500.db2.gz NRZGQHVIKQCKCW-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP C[N@@H+](CCNC(=O)CCc1c[nH]c[nH+]1)CC[C@H]1CCOC1 ZINC001418466029 922149507 /nfs/dbraw/zinc/14/95/07/922149507.db2.gz NRZGQHVIKQCKCW-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP C[N@H+](CCNC(=O)CCc1c[nH+]c[nH]1)CC[C@H]1CCOC1 ZINC001418466029 922149516 /nfs/dbraw/zinc/14/95/16/922149516.db2.gz NRZGQHVIKQCKCW-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP C[N@@H+](CCNC(=O)CCc1c[nH+]c[nH]1)CC[C@H]1CCOC1 ZINC001418466029 922149522 /nfs/dbraw/zinc/14/95/22/922149522.db2.gz NRZGQHVIKQCKCW-ZDUSSCGKSA-N 2 2 294.399 0.817 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC001341127718 922352222 /nfs/dbraw/zinc/35/22/22/922352222.db2.gz BRSZWZCQRWUHTD-LSKIRQOJSA-N 2 2 262.357 0.766 20 0 CCADLP C[C@H](c1cnccn1)[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001419034212 922587933 /nfs/dbraw/zinc/58/79/33/922587933.db2.gz WJOJFNXAHPUYMB-GFCCVEGCSA-N 2 2 291.399 0.537 20 0 CCADLP CC[C@@H](C(=O)NCCCC[NH3+])[N@@H+]1CCO[C@H](CC)C1 ZINC001341641603 922597497 /nfs/dbraw/zinc/59/74/97/922597497.db2.gz AMOQSAABYGZMNE-OLZOCXBDSA-N 2 2 271.405 0.731 20 0 CCADLP CC[C@@H](C(=O)NCCCC[NH3+])[N@H+]1CCO[C@H](CC)C1 ZINC001341641603 922597506 /nfs/dbraw/zinc/59/75/06/922597506.db2.gz AMOQSAABYGZMNE-OLZOCXBDSA-N 2 2 271.405 0.731 20 0 CCADLP CC[C@H](C[NH+]1CCOCC1)NC(=O)C1CC[NH2+]CC1 ZINC001341751680 922659072 /nfs/dbraw/zinc/65/90/72/922659072.db2.gz HPMHAKPZBTYLPC-CYBMUJFWSA-N 2 2 269.389 0.213 20 0 CCADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC1CCOCC1 ZINC001419263555 922739550 /nfs/dbraw/zinc/73/95/50/922739550.db2.gz BEMHDUGYBORGRE-AWEZNQCLSA-N 2 2 294.399 0.794 20 0 CCADLP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1cnsn1 ZINC001419289984 922756366 /nfs/dbraw/zinc/75/63/66/922756366.db2.gz VDYPJNCWEWMSIM-GHMZBOCLSA-N 2 2 297.428 0.474 20 0 CCADLP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cnsn1 ZINC001419289984 922756375 /nfs/dbraw/zinc/75/63/75/922756375.db2.gz VDYPJNCWEWMSIM-GHMZBOCLSA-N 2 2 297.428 0.474 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N[C@@](C)(C[NH2+]CC2CC2)C2CC2)C1 ZINC001419328365 922770145 /nfs/dbraw/zinc/77/01/45/922770145.db2.gz AFNRYOGONIZGNN-HOCLYGCPSA-N 2 2 295.427 0.602 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N[C@@](C)(C[NH2+]CC2CC2)C2CC2)C1 ZINC001419328365 922770154 /nfs/dbraw/zinc/77/01/54/922770154.db2.gz AFNRYOGONIZGNN-HOCLYGCPSA-N 2 2 295.427 0.602 20 0 CCADLP CCc1[nH+]ccn1CCNC(=O)C1CN(C)CC[N@H+](C)C1 ZINC001419407781 922813597 /nfs/dbraw/zinc/81/35/97/922813597.db2.gz BGWYICQWEMVEJI-UHFFFAOYSA-N 2 2 293.415 0.055 20 0 CCADLP CCc1[nH+]ccn1CCNC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC001419407781 922813599 /nfs/dbraw/zinc/81/35/99/922813599.db2.gz BGWYICQWEMVEJI-UHFFFAOYSA-N 2 2 293.415 0.055 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)C[C@@H]1CCC[NH2+]1 ZINC001342303452 922902172 /nfs/dbraw/zinc/90/21/72/922902172.db2.gz NNOUGEZYMJTNLT-OLZOCXBDSA-N 2 2 269.389 0.308 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CC([NH2+]C2CCOCC2)C1 ZINC001419660465 922981597 /nfs/dbraw/zinc/98/15/97/922981597.db2.gz RAQLORIHLLZBQV-UHFFFAOYSA-N 2 2 278.356 0.253 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001342548889 922995626 /nfs/dbraw/zinc/99/56/26/922995626.db2.gz LVUYHUDHPKLLTL-CYBMUJFWSA-N 3 2 268.405 0.010 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001342548889 922995637 /nfs/dbraw/zinc/99/56/37/922995637.db2.gz LVUYHUDHPKLLTL-CYBMUJFWSA-N 3 2 268.405 0.010 20 0 CCADLP [NH3+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001342737272 923076162 /nfs/dbraw/zinc/07/61/62/923076162.db2.gz DSRCOYKJAIBCKB-QJPTWQEYSA-N 2 2 262.357 0.689 20 0 CCADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1ccn(C)n1 ZINC001419841794 923128593 /nfs/dbraw/zinc/12/85/93/923128593.db2.gz SVLDRGNLCJGVTN-GFCCVEGCSA-N 2 2 290.371 0.301 20 0 CCADLP [NH3+][C@H](CC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+])C(F)F ZINC001342976585 923153515 /nfs/dbraw/zinc/15/35/15/923153515.db2.gz AQWMLBBNFZUJLU-CKYFFXLPSA-N 2 2 269.295 0.710 20 0 CCADLP C[C@@H](O)C[N@H+](C)CCN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001419979743 923211123 /nfs/dbraw/zinc/21/11/23/923211123.db2.gz XIXHNBYKPZOUQD-LLVKDONJSA-N 2 2 298.387 0.121 20 0 CCADLP C[C@@H](O)C[N@@H+](C)CCN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001419979743 923211138 /nfs/dbraw/zinc/21/11/38/923211138.db2.gz XIXHNBYKPZOUQD-LLVKDONJSA-N 2 2 298.387 0.121 20 0 CCADLP COCC[N@H+](C)CCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001420027127 923253151 /nfs/dbraw/zinc/25/31/51/923253151.db2.gz WCJIIMTXYXTHFG-GFCCVEGCSA-N 2 2 282.388 0.625 20 0 CCADLP COCC[N@@H+](C)CCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001420027127 923253163 /nfs/dbraw/zinc/25/31/63/923253163.db2.gz WCJIIMTXYXTHFG-GFCCVEGCSA-N 2 2 282.388 0.625 20 0 CCADLP CC(C)(C(=O)N1CC([NH2+][C@@H]2CCOC2)C1)c1c[nH+]c[nH]1 ZINC001420135852 923337803 /nfs/dbraw/zinc/33/78/03/923337803.db2.gz YVBAJZNASXDOSH-SNVBAGLBSA-N 2 2 278.356 0.277 20 0 CCADLP C[C@H](CCC[NH3+])NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001343506550 923353603 /nfs/dbraw/zinc/35/36/03/923353603.db2.gz FTSGVJXXLHBLEA-MNOVXSKESA-N 2 2 250.346 0.689 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001343629161 923397302 /nfs/dbraw/zinc/39/73/02/923397302.db2.gz SJKWDWIOKMRYCX-LLVKDONJSA-N 2 2 250.346 0.767 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH+](C)Cc1cnc(C)cn1 ZINC001420339893 923559230 /nfs/dbraw/zinc/55/92/30/923559230.db2.gz JZSIXLOJLVLSDO-UHFFFAOYSA-N 2 2 293.415 0.675 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH+](C)Cc1cnc(C)cn1 ZINC001420339893 923559242 /nfs/dbraw/zinc/55/92/42/923559242.db2.gz JZSIXLOJLVLSDO-UHFFFAOYSA-N 2 2 293.415 0.675 20 0 CCADLP CCC[NH+](C)CC(=O)NCC[N@H+](C)Cc1cnc(C)cn1 ZINC001420339893 923559251 /nfs/dbraw/zinc/55/92/51/923559251.db2.gz JZSIXLOJLVLSDO-UHFFFAOYSA-N 2 2 293.415 0.675 20 0 CCADLP CCC[NH+](C)CC(=O)NCC[N@@H+](C)Cc1cnc(C)cn1 ZINC001420339893 923559259 /nfs/dbraw/zinc/55/92/59/923559259.db2.gz JZSIXLOJLVLSDO-UHFFFAOYSA-N 2 2 293.415 0.675 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@](C)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001421220067 924223403 /nfs/dbraw/zinc/22/34/03/924223403.db2.gz JTWNWVJZYZFGHU-WFASDCNBSA-N 2 2 294.399 0.578 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@](C)(NC(=O)Cc2c[nH+]cn2C)C1 ZINC001421220067 924223413 /nfs/dbraw/zinc/22/34/13/924223413.db2.gz JTWNWVJZYZFGHU-WFASDCNBSA-N 2 2 294.399 0.578 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1c[nH]c(C(=O)OC)c1 ZINC001414097317 924229628 /nfs/dbraw/zinc/22/96/28/924229628.db2.gz UTNAQVLOTUEPHD-ZDUSSCGKSA-N 2 2 297.399 0.984 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)NCc2ccnc(F)c2)CC1 ZINC001346525697 924250587 /nfs/dbraw/zinc/25/05/87/924250587.db2.gz HAZKVLCXTPYSQV-UHFFFAOYSA-N 2 2 295.362 0.443 20 0 CCADLP C[C@@H]([NH3+])CC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001346526672 924251446 /nfs/dbraw/zinc/25/14/46/924251446.db2.gz MFKRKUILVCBZBD-SNVBAGLBSA-N 2 2 250.346 0.863 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC001347601838 924491218 /nfs/dbraw/zinc/49/12/18/924491218.db2.gz FDSIITBCCZXLIH-LLVKDONJSA-N 2 2 250.346 0.563 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC001347601838 924491225 /nfs/dbraw/zinc/49/12/25/924491225.db2.gz FDSIITBCCZXLIH-LLVKDONJSA-N 2 2 250.346 0.563 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC001348059254 924586873 /nfs/dbraw/zinc/58/68/73/924586873.db2.gz FLRVFRKMXINJTM-NSHDSACASA-N 2 2 259.313 0.519 20 0 CCADLP O[C@@H](C[NH2+]CCCn1cc[nH+]c1)CC1(O)CCOCC1 ZINC001348815960 924813926 /nfs/dbraw/zinc/81/39/26/924813926.db2.gz ZEUIXEFGLRCSIS-CYBMUJFWSA-N 2 2 283.372 0.155 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001353500909 925851735 /nfs/dbraw/zinc/85/17/35/925851735.db2.gz SBLGOIRQPLGCHZ-JQWIXIFHSA-N 2 2 263.345 0.314 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)CCSCCC[NH3+] ZINC001353534802 925864027 /nfs/dbraw/zinc/86/40/27/925864027.db2.gz JQJGBNMBMIIWKG-LBPRGKRZSA-N 2 2 289.445 0.295 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)CCSCCC[NH3+] ZINC001353534802 925864037 /nfs/dbraw/zinc/86/40/37/925864037.db2.gz JQJGBNMBMIIWKG-LBPRGKRZSA-N 2 2 289.445 0.295 20 0 CCADLP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@@H](C[NH3+])C1CC1 ZINC001353883082 925952283 /nfs/dbraw/zinc/95/22/83/925952283.db2.gz SNHOPGXVPVKSEV-AAEUAGOBSA-N 2 2 262.357 0.641 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC001353929635 925966675 /nfs/dbraw/zinc/96/66/75/925966675.db2.gz WNMCFSJPSOSWLG-LLVKDONJSA-N 2 2 262.357 0.943 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC001353929635 925966685 /nfs/dbraw/zinc/96/66/85/925966685.db2.gz WNMCFSJPSOSWLG-LLVKDONJSA-N 2 2 262.357 0.943 20 0 CCADLP [NH3+][C@H](CC(=O)NC[C@]12CCC[C@H]1[NH2+]CC2)C(F)F ZINC001354970894 926191008 /nfs/dbraw/zinc/19/10/08/926191008.db2.gz OWDOZFNWDHHOEY-KBVBSXBZSA-N 2 2 261.316 0.617 20 0 CCADLP [NH3+]C[C@H]1C[C@H](NC(=O)[C@H]([NH3+])c2c(F)cccc2F)C1 ZINC001355534895 926277611 /nfs/dbraw/zinc/27/76/11/926277611.db2.gz WEEORDHCPMFHGY-DNSOKLHBSA-N 2 2 269.295 0.818 20 0 CCADLP [NH3+]CCCn1ccc(C(=O)NCCCn2cc[nH+]c2)n1 ZINC001357327014 926511719 /nfs/dbraw/zinc/51/17/19/926511719.db2.gz RQDMRGKSPJDHJW-UHFFFAOYSA-N 2 2 276.344 0.249 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC001357457023 926533978 /nfs/dbraw/zinc/53/39/78/926533978.db2.gz AIDSOFBMAWVXCT-HBNTYKKESA-N 2 2 250.346 0.845 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC001357457023 926533984 /nfs/dbraw/zinc/53/39/84/926533984.db2.gz AIDSOFBMAWVXCT-HBNTYKKESA-N 2 2 250.346 0.845 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)NC[C@@H]2C=CCC2)CC1 ZINC001357546258 926559591 /nfs/dbraw/zinc/55/95/91/926559591.db2.gz KDMWGGFBNWZIOP-GFCCVEGCSA-N 2 2 266.389 0.675 20 0 CCADLP CN(CCCCCC[NH3+])C(=O)C[C@H]([NH3+])C(F)F ZINC001358027059 926620688 /nfs/dbraw/zinc/62/06/88/926620688.db2.gz ITSYUPXSKGHKOI-VIFPVBQESA-N 2 2 251.321 0.946 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)C[NH+](CC2CCC2)C1 ZINC001421418622 926740277 /nfs/dbraw/zinc/74/02/77/926740277.db2.gz OZFSIXXNWDPRFI-CYBMUJFWSA-N 2 2 281.400 0.044 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)C[NH+](CC2CCC2)C1 ZINC001421418622 926740281 /nfs/dbraw/zinc/74/02/81/926740281.db2.gz OZFSIXXNWDPRFI-CYBMUJFWSA-N 2 2 281.400 0.044 20 0 CCADLP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1nnc(C)[nH]1 ZINC001421434970 926750124 /nfs/dbraw/zinc/75/01/24/926750124.db2.gz HTYGMPDCAYWSPP-VXGBXAGGSA-N 2 2 294.403 0.192 20 0 CCADLP CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]Cc1nnc(C)[nH]1 ZINC001421434970 926750131 /nfs/dbraw/zinc/75/01/31/926750131.db2.gz HTYGMPDCAYWSPP-VXGBXAGGSA-N 2 2 294.403 0.192 20 0 CCADLP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC[C@H]1CCCO1 ZINC001421510257 926785100 /nfs/dbraw/zinc/78/51/00/926785100.db2.gz SDFFHFNSBITITQ-UONOGXRCSA-N 2 2 294.399 0.937 20 0 CCADLP Cc1cc(C[NH2+]C[C@@H](C)CNC(=O)Cn2cc[nH+]c2)on1 ZINC001421767204 926901529 /nfs/dbraw/zinc/90/15/29/926901529.db2.gz IEUZBBKEJYTMMA-LLVKDONJSA-N 2 2 291.355 0.722 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@H+](CC2CC2)CCO1 ZINC001421804029 926917411 /nfs/dbraw/zinc/91/74/11/926917411.db2.gz HHXAIQLELGULFZ-CQSZACIVSA-N 2 2 292.383 0.419 20 0 CCADLP Cc1[nH+]ccn1CC(=O)NC[C@@H]1C[N@@H+](CC2CC2)CCO1 ZINC001421804029 926917425 /nfs/dbraw/zinc/91/74/25/926917425.db2.gz HHXAIQLELGULFZ-CQSZACIVSA-N 2 2 292.383 0.419 20 0 CCADLP CC[NH+]1CC2(C1)CN(C(=O)CCC[NH+]1CCCC1)CCO2 ZINC001421907333 926989193 /nfs/dbraw/zinc/98/91/93/926989193.db2.gz CXIMEWZPCCOKQL-UHFFFAOYSA-N 2 2 295.427 0.796 20 0 CCADLP Cc1oncc1C[NH2+]C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001422527438 927346356 /nfs/dbraw/zinc/34/63/56/927346356.db2.gz HHOBBERAOTXLEQ-LLVKDONJSA-N 2 2 291.355 0.864 20 0 CCADLP Cc1cnc(C[NH2+]C[C@@H](C)NC(=O)Cn2cc[nH+]c2)s1 ZINC001422615829 927411489 /nfs/dbraw/zinc/41/14/89/927411489.db2.gz IFSIFYVMHWEGLJ-SNVBAGLBSA-N 2 2 293.396 0.943 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)CC[NH+]2CC[C@H](F)C2)CCO1 ZINC001361889663 927425086 /nfs/dbraw/zinc/42/50/86/927425086.db2.gz VSYYKSFMGAPCNQ-OLZOCXBDSA-N 2 2 287.379 0.257 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)CC[NH+]2CC[C@H](F)C2)CCO1 ZINC001361889663 927425093 /nfs/dbraw/zinc/42/50/93/927425093.db2.gz VSYYKSFMGAPCNQ-OLZOCXBDSA-N 2 2 287.379 0.257 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)CC[N@@H+]2CC[C@H](F)C2)CCO1 ZINC001361889663 927425097 /nfs/dbraw/zinc/42/50/97/927425097.db2.gz VSYYKSFMGAPCNQ-OLZOCXBDSA-N 2 2 287.379 0.257 20 0 CCADLP C[C@@H]1C[NH+](CCNC(=O)CC[N@H+]2CC[C@H](F)C2)CCO1 ZINC001361889663 927425101 /nfs/dbraw/zinc/42/51/01/927425101.db2.gz VSYYKSFMGAPCNQ-OLZOCXBDSA-N 2 2 287.379 0.257 20 0 CCADLP Cc1ncccc1C[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001422756840 927491960 /nfs/dbraw/zinc/49/19/60/927491960.db2.gz DYMQAUVPXKXUDS-LBPRGKRZSA-N 2 2 287.367 0.881 20 0 CCADLP C[C@@H](CC[NH+](C)C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC001361995744 927505175 /nfs/dbraw/zinc/50/51/75/927505175.db2.gz PLGYYMXWZNCMJT-STQMWFEESA-N 2 2 271.405 0.411 20 0 CCADLP C[C@@H](CC[NH+](C)C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC001361995744 927505182 /nfs/dbraw/zinc/50/51/82/927505182.db2.gz PLGYYMXWZNCMJT-STQMWFEESA-N 2 2 271.405 0.411 20 0 CCADLP CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC001362400774 927967025 /nfs/dbraw/zinc/96/70/25/927967025.db2.gz XDWORBPHPMNJKT-LSDHHAIUSA-N 2 2 297.443 0.776 20 0 CCADLP CCC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CCO)[C@@H](C)C1 ZINC001362400774 927967033 /nfs/dbraw/zinc/96/70/33/927967033.db2.gz XDWORBPHPMNJKT-LSDHHAIUSA-N 2 2 297.443 0.776 20 0 CCADLP CCC[NH+]1CCCC[C@@H]1C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC001362400774 927967037 /nfs/dbraw/zinc/96/70/37/927967037.db2.gz XDWORBPHPMNJKT-LSDHHAIUSA-N 2 2 297.443 0.776 20 0 CCADLP CCC[NH+]1CCCC[C@@H]1C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC001362400774 927967044 /nfs/dbraw/zinc/96/70/44/927967044.db2.gz XDWORBPHPMNJKT-LSDHHAIUSA-N 2 2 297.443 0.776 20 0 CCADLP CCC1([NH2+]CCO)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001424370035 928170329 /nfs/dbraw/zinc/17/03/29/928170329.db2.gz NXAOCTVODBFIGM-UHFFFAOYSA-N 2 2 294.399 0.695 20 0 CCADLP CCC1([NH2+]CCO)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001424370035 928170333 /nfs/dbraw/zinc/17/03/33/928170333.db2.gz NXAOCTVODBFIGM-UHFFFAOYSA-N 2 2 294.399 0.695 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@@H+](C)C(C)C)o1 ZINC001424855316 928319512 /nfs/dbraw/zinc/31/95/12/928319512.db2.gz MFIIASCCJKHSHW-QWRGUYRKSA-N 2 2 297.403 0.701 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)C(C)C)o1 ZINC001424855316 928319523 /nfs/dbraw/zinc/31/95/23/928319523.db2.gz MFIIASCCJKHSHW-QWRGUYRKSA-N 2 2 297.403 0.701 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC001425431624 928546352 /nfs/dbraw/zinc/54/63/52/928546352.db2.gz BBLKVHNLBORWBS-UHFFFAOYSA-N 2 2 294.399 0.566 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC001425431624 928546361 /nfs/dbraw/zinc/54/63/61/928546361.db2.gz BBLKVHNLBORWBS-UHFFFAOYSA-N 2 2 294.399 0.566 20 0 CCADLP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cnon1 ZINC001425552776 928592664 /nfs/dbraw/zinc/59/26/64/928592664.db2.gz VDFCZOBXMYXIOP-PWSUYJOCSA-N 2 2 281.360 0.100 20 0 CCADLP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1cnon1 ZINC001425552776 928592669 /nfs/dbraw/zinc/59/26/69/928592669.db2.gz VDFCZOBXMYXIOP-PWSUYJOCSA-N 2 2 281.360 0.100 20 0 CCADLP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]Cc1ccnn1C ZINC001425631824 928611765 /nfs/dbraw/zinc/61/17/65/928611765.db2.gz HFKDAKVBFKCVBN-LLVKDONJSA-N 2 2 290.371 0.322 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)NCc2c[nH+]c3n2CCC3)C1 ZINC001363394989 929182607 /nfs/dbraw/zinc/18/26/07/929182607.db2.gz GMSBQVJNJDQUTJ-GFCCVEGCSA-N 2 2 278.356 0.166 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)NCc2c[nH+]c3n2CCC3)C1 ZINC001363394989 929182613 /nfs/dbraw/zinc/18/26/13/929182613.db2.gz GMSBQVJNJDQUTJ-GFCCVEGCSA-N 2 2 278.356 0.166 20 0 CCADLP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CC(S(C)(=O)=O)C3)[C@@H]2C1 ZINC001363679722 929481007 /nfs/dbraw/zinc/48/10/07/929481007.db2.gz KINNOJVGPPVMDS-UHYZFRFASA-N 2 2 272.414 0.492 20 0 CCADLP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]C3CC(S(C)(=O)=O)C3)[C@@H]2C1 ZINC001363679722 929481011 /nfs/dbraw/zinc/48/10/11/929481011.db2.gz KINNOJVGPPVMDS-UHYZFRFASA-N 2 2 272.414 0.492 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ncccn2)C1 ZINC001363844624 929625700 /nfs/dbraw/zinc/62/57/00/929625700.db2.gz LETVWAMJRRGNQW-KBPBESRZSA-N 2 2 278.400 0.967 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ncccn2)C1 ZINC001363844624 929625709 /nfs/dbraw/zinc/62/57/09/929625709.db2.gz LETVWAMJRRGNQW-KBPBESRZSA-N 2 2 278.400 0.967 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](c2ncccn2)C1 ZINC001363844624 929625722 /nfs/dbraw/zinc/62/57/22/929625722.db2.gz LETVWAMJRRGNQW-KBPBESRZSA-N 2 2 278.400 0.967 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](c2ncccn2)C1 ZINC001363844624 929625729 /nfs/dbraw/zinc/62/57/29/929625729.db2.gz LETVWAMJRRGNQW-KBPBESRZSA-N 2 2 278.400 0.967 20 0 CCADLP CCC[N@H+](C)CC(=O)NC1C[NH+](C[C@@H](OC)C2CCC2)C1 ZINC001443538578 929640162 /nfs/dbraw/zinc/64/01/62/929640162.db2.gz CQUFRYYKHDRWOR-OAHLLOKOSA-N 2 2 297.443 0.944 20 0 CCADLP CCC[N@@H+](C)CC(=O)NC1C[NH+](C[C@@H](OC)C2CCC2)C1 ZINC001443538578 929640169 /nfs/dbraw/zinc/64/01/69/929640169.db2.gz CQUFRYYKHDRWOR-OAHLLOKOSA-N 2 2 297.443 0.944 20 0 CCADLP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@H](C)c1nc(C)no1 ZINC001443987756 929760245 /nfs/dbraw/zinc/76/02/45/929760245.db2.gz STMRYFSFVGBGPC-ZYHUDNBSSA-N 2 2 297.403 0.875 20 0 CCADLP C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccns1 ZINC001372223309 929770529 /nfs/dbraw/zinc/77/05/29/929770529.db2.gz YBBQEASLJVZGRW-LLVKDONJSA-N 2 2 282.413 0.643 20 0 CCADLP C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccns1 ZINC001372223309 929770536 /nfs/dbraw/zinc/77/05/36/929770536.db2.gz YBBQEASLJVZGRW-LLVKDONJSA-N 2 2 282.413 0.643 20 0 CCADLP C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccns1 ZINC001372223309 929770543 /nfs/dbraw/zinc/77/05/43/929770543.db2.gz YBBQEASLJVZGRW-LLVKDONJSA-N 2 2 282.413 0.643 20 0 CCADLP C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccns1 ZINC001372223309 929770550 /nfs/dbraw/zinc/77/05/50/929770550.db2.gz YBBQEASLJVZGRW-LLVKDONJSA-N 2 2 282.413 0.643 20 0 CCADLP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1cnns1 ZINC001444419055 929866391 /nfs/dbraw/zinc/86/63/91/929866391.db2.gz HOJWHKMBVSMMLP-JTQLQIEISA-N 2 2 294.384 0.277 20 0 CCADLP C[C@@H](C[NH2+]Cc1cnsn1)N(C)C(=O)C[NH+]1CCCC1 ZINC001444729049 929943382 /nfs/dbraw/zinc/94/33/82/929943382.db2.gz OQXHUFCRLHNLMI-NSHDSACASA-N 2 2 297.428 0.570 20 0 CCADLP CC[C@@H](C[N@H+](C)CCN(C)C(=O)Cc1[nH]cc[nH+]1)OC ZINC001445043427 930012988 /nfs/dbraw/zinc/01/29/88/930012988.db2.gz BSMBMNLCYVAPKT-LBPRGKRZSA-N 2 2 282.388 0.767 20 0 CCADLP CC[C@@H](C[N@@H+](C)CCN(C)C(=O)Cc1[nH]cc[nH+]1)OC ZINC001445043427 930013006 /nfs/dbraw/zinc/01/30/06/930013006.db2.gz BSMBMNLCYVAPKT-LBPRGKRZSA-N 2 2 282.388 0.767 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC[C@H]1CC[N@H+](CCO)C1 ZINC001373197335 930100306 /nfs/dbraw/zinc/10/03/06/930100306.db2.gz ABVFBRJWXFEHJR-ZDUSSCGKSA-N 2 2 294.399 0.173 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC[C@H]1CC[N@@H+](CCO)C1 ZINC001373197335 930100310 /nfs/dbraw/zinc/10/03/10/930100310.db2.gz ABVFBRJWXFEHJR-ZDUSSCGKSA-N 2 2 294.399 0.173 20 0 CCADLP Cc1noc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001445420422 930129830 /nfs/dbraw/zinc/12/98/30/930129830.db2.gz RJKPGXJUTRLIMM-MWLCHTKSSA-N 2 2 281.360 0.067 20 0 CCADLP Cc1noc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001445420422 930129838 /nfs/dbraw/zinc/12/98/38/930129838.db2.gz RJKPGXJUTRLIMM-MWLCHTKSSA-N 2 2 281.360 0.067 20 0 CCADLP CO[C@H](C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1)C1CCC1 ZINC001445440194 930134529 /nfs/dbraw/zinc/13/45/29/930134529.db2.gz IKJMFTMRHMPLGE-BXUZGUMPSA-N 2 2 294.399 0.862 20 0 CCADLP CO[C@@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1 ZINC001373923986 930372942 /nfs/dbraw/zinc/37/29/42/930372942.db2.gz UUEYQRUKKMHPMV-IHRRRGAJSA-N 2 2 294.399 0.935 20 0 CCADLP COC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001374102923 930423709 /nfs/dbraw/zinc/42/37/09/930423709.db2.gz BLTSNOMHTSMZIF-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CO[C@H](C)C[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001374104500 930423785 /nfs/dbraw/zinc/42/37/85/930423785.db2.gz SKINGZXCOZQCKI-ZIAGYGMSSA-N 2 2 283.416 0.650 20 0 CCADLP CC[NH+]1CC(O)(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001446884066 930508031 /nfs/dbraw/zinc/50/80/31/930508031.db2.gz BTPNQACJEHQHPH-UHFFFAOYSA-N 2 2 291.395 0.545 20 0 CCADLP CN(CCC[N@H+](C)Cc1nccn1C)C(=O)CC[NH+](C)C ZINC001447360653 930616893 /nfs/dbraw/zinc/61/68/93/930616893.db2.gz RJZBUISDIOFDOB-UHFFFAOYSA-N 2 2 295.431 0.652 20 0 CCADLP CN(CCC[N@@H+](C)Cc1nccn1C)C(=O)CC[NH+](C)C ZINC001447360653 930616899 /nfs/dbraw/zinc/61/68/99/930616899.db2.gz RJZBUISDIOFDOB-UHFFFAOYSA-N 2 2 295.431 0.652 20 0 CCADLP CC(C)c1nnc(C[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C)o1 ZINC001374811642 930673776 /nfs/dbraw/zinc/67/37/76/930673776.db2.gz RHCOOVIWPYYYKH-LLVKDONJSA-N 2 2 297.403 0.739 20 0 CCADLP C[C@H](O)C[N@H+](C)C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001447762104 930702145 /nfs/dbraw/zinc/70/21/45/930702145.db2.gz TWVWCSUUNDQVOO-GXTWGEPZSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@H](O)C[N@@H+](C)C[C@H]1CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001447762104 930702153 /nfs/dbraw/zinc/70/21/53/930702153.db2.gz TWVWCSUUNDQVOO-GXTWGEPZSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@H](O)C[N@H+](C)C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001447762104 930702159 /nfs/dbraw/zinc/70/21/59/930702159.db2.gz TWVWCSUUNDQVOO-GXTWGEPZSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@H](O)C[N@@H+](C)C[C@H]1CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001447762104 930702165 /nfs/dbraw/zinc/70/21/65/930702165.db2.gz TWVWCSUUNDQVOO-GXTWGEPZSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@@H](C[NH2+]C[C@@H]1CCOC1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001374890638 930713836 /nfs/dbraw/zinc/71/38/36/930713836.db2.gz FVUPUOVELDJQSP-RYUDHWBXSA-N 2 2 280.372 0.473 20 0 CCADLP C[C@@H](C[NH2+]C[C@@H]1CCOC1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001374890638 930713843 /nfs/dbraw/zinc/71/38/43/930713843.db2.gz FVUPUOVELDJQSP-RYUDHWBXSA-N 2 2 280.372 0.473 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC001375229456 930825638 /nfs/dbraw/zinc/82/56/38/930825638.db2.gz MWYNRDXWQRRUCK-MFKMUULPSA-N 2 2 280.372 0.208 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H](NC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC001375229456 930825645 /nfs/dbraw/zinc/82/56/45/930825645.db2.gz MWYNRDXWQRRUCK-MFKMUULPSA-N 2 2 280.372 0.208 20 0 CCADLP C[C@@H](NC(=O)Cn1cc[nH+]c1)C1C[NH+](C[C@H]2CCOC2)C1 ZINC001448328587 930875733 /nfs/dbraw/zinc/87/57/33/930875733.db2.gz BCORSPWHEFNHPX-CHWSQXEVSA-N 2 2 292.383 0.356 20 0 CCADLP CC[C@H](C[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1c[nH+]c[nH]1)OC ZINC001375478277 930895651 /nfs/dbraw/zinc/89/56/51/930895651.db2.gz ZOFYRTZZMLLBNE-ZIAGYGMSSA-N 2 2 294.399 0.910 20 0 CCADLP CC[C@H](C[N@H+]1CC[C@@H]1CN(C)C(=O)Cc1c[nH+]c[nH]1)OC ZINC001375478277 930895655 /nfs/dbraw/zinc/89/56/55/930895655.db2.gz ZOFYRTZZMLLBNE-ZIAGYGMSSA-N 2 2 294.399 0.910 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC001449092205 931067265 /nfs/dbraw/zinc/06/72/65/931067265.db2.gz VWVBHHSLHWNGAN-WUHRBBMRSA-N 2 2 290.367 0.181 20 0 CCADLP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC001449092205 931067275 /nfs/dbraw/zinc/06/72/75/931067275.db2.gz VWVBHHSLHWNGAN-WUHRBBMRSA-N 2 2 290.367 0.181 20 0 CCADLP CC(C)[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001449124703 931078108 /nfs/dbraw/zinc/07/81/08/931078108.db2.gz JEEUICKNFXWDFU-IJLUTSLNSA-N 2 2 280.372 0.331 20 0 CCADLP CC(C)[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001449124703 931078118 /nfs/dbraw/zinc/07/81/18/931078118.db2.gz JEEUICKNFXWDFU-IJLUTSLNSA-N 2 2 280.372 0.331 20 0 CCADLP C[C@H](CC(=O)NC[C@H]([NH2+]CCO)C1CC1)n1cc[nH+]c1 ZINC001376247339 931105155 /nfs/dbraw/zinc/10/51/55/931105155.db2.gz VVPSZFHZAHPJAT-YPMHNXCESA-N 2 2 280.372 0.311 20 0 CCADLP CC(C)N(CC[N@H+](C)CCCO)C(=O)Cc1[nH]cc[nH+]1 ZINC001449278946 931118134 /nfs/dbraw/zinc/11/81/34/931118134.db2.gz RGLAZJXFLGLAMC-UHFFFAOYSA-N 2 2 282.388 0.503 20 0 CCADLP CC(C)N(CC[N@@H+](C)CCCO)C(=O)Cc1[nH]cc[nH+]1 ZINC001449278946 931118140 /nfs/dbraw/zinc/11/81/40/931118140.db2.gz RGLAZJXFLGLAMC-UHFFFAOYSA-N 2 2 282.388 0.503 20 0 CCADLP CO[C@H](C)C[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001376332631 931125237 /nfs/dbraw/zinc/12/52/37/931125237.db2.gz RIZWADZGAMNIOZ-OLZOCXBDSA-N 2 2 280.372 0.499 20 0 CCADLP CC[C@H](C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1)OC ZINC001376344400 931128382 /nfs/dbraw/zinc/12/83/82/931128382.db2.gz KPYKYPJJMLOWQQ-NWDGAFQWSA-N 2 2 280.372 0.568 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001376615134 931190925 /nfs/dbraw/zinc/19/09/25/931190925.db2.gz WUNJYDINFCYYRU-JSGCOSHPSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@H](O)C[NH2+]C[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001376615134 931190934 /nfs/dbraw/zinc/19/09/34/931190934.db2.gz WUNJYDINFCYYRU-JSGCOSHPSA-N 2 2 294.399 0.694 20 0 CCADLP CC[C@@H](F)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001376846354 931302959 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O=C(C[C@H]1CSCC[NH2+]1)NCCCCn1cc[nH+]c1 ZINC000091290713 349459847 /nfs/dbraw/zinc/45/98/47/349459847.db2.gz LLVWGRVLZQMZHR-LBPRGKRZSA-N 2 2 282.413 0.875 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N1CCOCC1 ZINC000124439309 187137904 /nfs/dbraw/zinc/13/79/04/187137904.db2.gz AVIPLTNJZYNISZ-UHFFFAOYSA-N 2 2 266.345 0.064 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N1CCOCC1 ZINC000124439309 187137905 /nfs/dbraw/zinc/13/79/05/187137905.db2.gz AVIPLTNJZYNISZ-UHFFFAOYSA-N 2 2 266.345 0.064 20 0 CCADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000358386490 300220241 /nfs/dbraw/zinc/22/02/41/300220241.db2.gz AQQOHKGEXOJWIR-NWDGAFQWSA-N 2 2 274.430 0.741 20 0 CCADLP CC[NH+]1CCC(NC(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000337469132 214100752 /nfs/dbraw/zinc/10/07/52/214100752.db2.gz OMPRHXXFQGXBCM-ZDUSSCGKSA-N 2 2 298.431 0.491 20 0 CCADLP CSC[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000093191200 349531453 /nfs/dbraw/zinc/53/14/53/349531453.db2.gz PUFOYBVUUWJQDR-GFCCVEGCSA-N 2 2 271.430 0.588 20 0 CCADLP CSC[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000093191200 349531454 /nfs/dbraw/zinc/53/14/54/349531454.db2.gz PUFOYBVUUWJQDR-GFCCVEGCSA-N 2 2 271.430 0.588 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000337604043 214177198 /nfs/dbraw/zinc/17/71/98/214177198.db2.gz UJJRZZHDFKCAHC-KGLIPLIRSA-N 2 2 274.368 0.649 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000337604043 214177199 /nfs/dbraw/zinc/17/71/99/214177199.db2.gz UJJRZZHDFKCAHC-KGLIPLIRSA-N 2 2 274.368 0.649 20 0 CCADLP OCc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)o1 ZINC000093664787 349549471 /nfs/dbraw/zinc/54/94/71/349549471.db2.gz PPKDAXVRSOWIHV-ZDUSSCGKSA-N 2 2 280.368 0.926 20 0 CCADLP OCc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)o1 ZINC000093664787 349549475 /nfs/dbraw/zinc/54/94/75/349549475.db2.gz PPKDAXVRSOWIHV-ZDUSSCGKSA-N 2 2 280.368 0.926 20 0 CCADLP COC(=O)c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000094763095 349573979 /nfs/dbraw/zinc/57/39/79/349573979.db2.gz MWLNEZOKSFQXQP-TXEJJXNPSA-N 2 2 261.325 0.519 20 0 CCADLP COC(=O)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000094763095 349573984 /nfs/dbraw/zinc/57/39/84/349573984.db2.gz MWLNEZOKSFQXQP-TXEJJXNPSA-N 2 2 261.325 0.519 20 0 CCADLP C[NH+](C)C[C@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CCO1 ZINC000328938425 282138810 /nfs/dbraw/zinc/13/88/10/282138810.db2.gz GSNCOYGHAVFQMY-JSGCOSHPSA-N 2 2 292.383 0.235 20 0 CCADLP CC[NH+](CC)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000096785733 349623405 /nfs/dbraw/zinc/62/34/05/349623405.db2.gz JZUKVGWJSPDZHN-LBPRGKRZSA-N 2 2 264.373 0.904 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC000338019913 214363871 /nfs/dbraw/zinc/36/38/71/214363871.db2.gz CMULMASIYMYFOD-AWEZNQCLSA-N 2 2 294.399 0.746 20 0 CCADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC000338019913 214363874 /nfs/dbraw/zinc/36/38/74/214363874.db2.gz CMULMASIYMYFOD-AWEZNQCLSA-N 2 2 294.399 0.746 20 0 CCADLP C[NH2+]CCC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000043620026 290641566 /nfs/dbraw/zinc/64/15/66/290641566.db2.gz ZJZDCFLLMQWYQL-GFCCVEGCSA-N 2 2 297.424 0.847 20 0 CCADLP CC[C@H]([NH3+])C(=O)N1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000423934600 529441741 /nfs/dbraw/zinc/44/17/41/529441741.db2.gz ZMMBTXNOQGPEFE-RYUDHWBXSA-N 2 2 292.383 0.865 20 0 CCADLP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000449657302 529464422 /nfs/dbraw/zinc/46/44/22/529464422.db2.gz ONRFLJFNEARMDA-AXFHLTTASA-N 2 2 275.343 0.736 20 0 CCADLP CCn1ncnc1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000094071989 290649771 /nfs/dbraw/zinc/64/97/71/290649771.db2.gz RWTVGNGLEUJOJF-UHFFFAOYSA-N 2 2 267.377 0.628 20 0 CCADLP CCc1cc(NC[C@H](O)C[NH+]2CCOCC2)cc[nH+]1 ZINC000450222176 529505635 /nfs/dbraw/zinc/50/56/35/529505635.db2.gz ANNFPBPXDOMJQG-AWEZNQCLSA-N 2 2 265.357 0.171 20 0 CCADLP O=C(C[NH+]1CCCC1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000103151332 349691704 /nfs/dbraw/zinc/69/17/04/349691704.db2.gz QYENMOSTQHAQPW-AWEZNQCLSA-N 2 2 281.400 0.405 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000418712373 529558751 /nfs/dbraw/zinc/55/87/51/529558751.db2.gz NVSHNTYBSTXOCK-CHWSQXEVSA-N 2 2 284.404 0.230 20 0 CCADLP CC[C@@H]([NH3+])CNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000418727014 529559292 /nfs/dbraw/zinc/55/92/92/529559292.db2.gz MBZONQGFBJSJQM-CQSZACIVSA-N 2 2 291.399 0.646 20 0 CCADLP OCC[NH+]1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000105785731 349723785 /nfs/dbraw/zinc/72/37/85/349723785.db2.gz OQGFQJGKCKIXBV-UHFFFAOYSA-N 2 2 291.399 0.581 20 0 CCADLP CCCNC(=O)C[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107369161 349736993 /nfs/dbraw/zinc/73/69/93/349736993.db2.gz CWVMPBLNQVATRL-AWEZNQCLSA-N 2 2 282.432 0.224 20 0 CCADLP CCCNC(=O)C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107369161 349736996 /nfs/dbraw/zinc/73/69/96/349736996.db2.gz CWVMPBLNQVATRL-AWEZNQCLSA-N 2 2 282.432 0.224 20 0 CCADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)NCc1ccccc1F ZINC000107576555 349738829 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O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)Nc1ccon1 ZINC000600654084 362027272 /nfs/dbraw/zinc/02/72/72/362027272.db2.gz BNKJWKBYXTZXOM-UHFFFAOYSA-N 2 2 275.312 0.569 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)C1([NH+](C)C)CC1 ZINC000617718730 365723659 /nfs/dbraw/zinc/72/36/59/365723659.db2.gz BZMPCBCKLFBYQK-NEPJUHHUSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)C1([NH+](C)C)CC1 ZINC000617718730 365723663 /nfs/dbraw/zinc/72/36/63/365723663.db2.gz BZMPCBCKLFBYQK-NEPJUHHUSA-N 2 2 269.389 0.306 20 0 CCADLP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000601047848 362142511 /nfs/dbraw/zinc/14/25/11/362142511.db2.gz LPFNCQSMEZVXBV-GJZGRUSLSA-N 2 2 295.427 0.651 20 0 CCADLP C[N@H+]1CC[C@H](C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)C1 ZINC000601047848 362142512 /nfs/dbraw/zinc/14/25/12/362142512.db2.gz LPFNCQSMEZVXBV-GJZGRUSLSA-N 2 2 295.427 0.651 20 0 CCADLP CCC(CC)[C@H](C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[NH+]1CCOCC1 ZINC000366510532 282256953 /nfs/dbraw/zinc/25/69/53/282256953.db2.gz KFSQSODJMKFVHW-CBBWQLFWSA-N 2 2 295.427 0.457 20 0 CCADLP COC(=O)c1coc([C@@H](C)[N@H+](C)CCOCC[NH3+])n1 ZINC000601323068 362219408 /nfs/dbraw/zinc/21/94/08/362219408.db2.gz CJBWBBQIFOLJFE-SECBINFHSA-N 2 2 271.317 0.429 20 0 CCADLP COC(=O)c1coc([C@@H](C)[N@@H+](C)CCOCC[NH3+])n1 ZINC000601323068 362219416 /nfs/dbraw/zinc/21/94/16/362219416.db2.gz CJBWBBQIFOLJFE-SECBINFHSA-N 2 2 271.317 0.429 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)C2CC[NH+](C)CC2)[C@H](C)CO1 ZINC000617732975 365743651 /nfs/dbraw/zinc/74/36/51/365743651.db2.gz LTPUDMIEQZSFTD-CHWSQXEVSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)C2CC[NH+](C)CC2)[C@H](C)CO1 ZINC000617732975 365743656 /nfs/dbraw/zinc/74/36/56/365743656.db2.gz LTPUDMIEQZSFTD-CHWSQXEVSA-N 2 2 283.416 0.554 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601333141 362229439 /nfs/dbraw/zinc/22/94/39/362229439.db2.gz BCWKRGBHXNCSKP-SDDRHHMPSA-N 2 2 282.388 0.295 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601333141 362229444 /nfs/dbraw/zinc/22/94/44/362229444.db2.gz BCWKRGBHXNCSKP-SDDRHHMPSA-N 2 2 282.388 0.295 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601333140 362229583 /nfs/dbraw/zinc/22/95/83/362229583.db2.gz BCWKRGBHXNCSKP-QJPTWQEYSA-N 2 2 282.388 0.295 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601333140 362229590 /nfs/dbraw/zinc/22/95/90/362229590.db2.gz BCWKRGBHXNCSKP-QJPTWQEYSA-N 2 2 282.388 0.295 20 0 CCADLP C[C@H](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH+](C)C ZINC000617754839 365757044 /nfs/dbraw/zinc/75/70/44/365757044.db2.gz BLHKYXVPPPRJDG-NEPJUHHUSA-N 2 2 264.373 0.902 20 0 CCADLP C[C@@H]1CC(=O)CC[C@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765983 365770549 /nfs/dbraw/zinc/77/05/49/365770549.db2.gz YIDXDWDPMPYUIT-UKRRQHHQSA-N 2 2 297.443 0.991 20 0 CCADLP C[C@H](CCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)[NH+](C)C ZINC000617760638 365763543 /nfs/dbraw/zinc/76/35/43/365763543.db2.gz CGIHGQHZHZPIGA-GHMZBOCLSA-N 2 2 264.373 0.971 20 0 CCADLP C[C@H](CCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)[NH+](C)C ZINC000617760638 365763549 /nfs/dbraw/zinc/76/35/49/365763549.db2.gz CGIHGQHZHZPIGA-GHMZBOCLSA-N 2 2 264.373 0.971 20 0 CCADLP COCn1ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000617763313 365765425 /nfs/dbraw/zinc/76/54/25/365765425.db2.gz MOTRJWDAXNQEAX-UHFFFAOYSA-N 2 2 297.403 0.100 20 0 CCADLP COCn1ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000617763313 365765433 /nfs/dbraw/zinc/76/54/33/365765433.db2.gz MOTRJWDAXNQEAX-UHFFFAOYSA-N 2 2 297.403 0.100 20 0 CCADLP COC1(C(=O)NCC[N@H+](C)CCC[NH+](C)C)CC1 ZINC000617763053 365766593 /nfs/dbraw/zinc/76/65/93/365766593.db2.gz BXPSJOMYSLRDJD-UHFFFAOYSA-N 2 2 257.378 0.165 20 0 CCADLP COC1(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000617763053 365766598 /nfs/dbraw/zinc/76/65/98/365766598.db2.gz BXPSJOMYSLRDJD-UHFFFAOYSA-N 2 2 257.378 0.165 20 0 CCADLP C[C@@H]1C[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)CCO1 ZINC000617765162 365768170 /nfs/dbraw/zinc/76/81/70/365768170.db2.gz VWUAMUCYKNBMRR-ZIAGYGMSSA-N 2 2 285.432 0.801 20 0 CCADLP C[C@@H]1C[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCO1 ZINC000617765162 365768177 /nfs/dbraw/zinc/76/81/77/365768177.db2.gz VWUAMUCYKNBMRR-ZIAGYGMSSA-N 2 2 285.432 0.801 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc(=O)[nH]1 ZINC000617765518 365770756 /nfs/dbraw/zinc/77/07/56/365770756.db2.gz DRTYCQUHNZPQAN-UHFFFAOYSA-N 2 2 280.372 0.401 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc(=O)[nH]1 ZINC000617765518 365770762 /nfs/dbraw/zinc/77/07/62/365770762.db2.gz DRTYCQUHNZPQAN-UHFFFAOYSA-N 2 2 280.372 0.401 20 0 CCADLP C[C@@H]1CC(=O)CC[C@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765983 365770544 /nfs/dbraw/zinc/77/05/44/365770544.db2.gz YIDXDWDPMPYUIT-UKRRQHHQSA-N 2 2 297.443 0.991 20 0 CCADLP Cc1ocnc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767480 365772726 /nfs/dbraw/zinc/77/27/26/365772726.db2.gz XKJIDQAABJORGU-UHFFFAOYSA-N 2 2 268.361 0.596 20 0 CCADLP Cc1ocnc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767480 365772732 /nfs/dbraw/zinc/77/27/32/365772732.db2.gz XKJIDQAABJORGU-UHFFFAOYSA-N 2 2 268.361 0.596 20 0 CCADLP Cc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)n(C)n1 ZINC000617767153 365772970 /nfs/dbraw/zinc/77/29/70/365772970.db2.gz IRWAKXIBXUTMEY-UHFFFAOYSA-N 2 2 281.404 0.342 20 0 CCADLP Cc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)n(C)n1 ZINC000617767153 365772977 /nfs/dbraw/zinc/77/29/77/365772977.db2.gz IRWAKXIBXUTMEY-UHFFFAOYSA-N 2 2 281.404 0.342 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CC[C@@H]1CCCO1 ZINC000617767957 365773302 /nfs/dbraw/zinc/77/33/02/365773302.db2.gz JQHWSLCOFNZIBR-AWEZNQCLSA-N 2 2 285.432 0.945 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CC[C@@H]1CCCO1 ZINC000617767957 365773309 /nfs/dbraw/zinc/77/33/09/365773309.db2.gz JQHWSLCOFNZIBR-AWEZNQCLSA-N 2 2 285.432 0.945 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc[nH]c1=O ZINC000617767823 365774102 /nfs/dbraw/zinc/77/41/02/365774102.db2.gz FAAXOHOWXIYWNF-UHFFFAOYSA-N 2 2 280.372 0.401 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc[nH]c1=O ZINC000617767823 365774105 /nfs/dbraw/zinc/77/41/05/365774105.db2.gz FAAXOHOWXIYWNF-UHFFFAOYSA-N 2 2 280.372 0.401 20 0 CCADLP CCn1nc(C)cc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767021 365774315 /nfs/dbraw/zinc/77/43/15/365774315.db2.gz CSPOTUUKGSZAFX-UHFFFAOYSA-N 2 2 295.431 0.825 20 0 CCADLP CCn1nc(C)cc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767021 365774320 /nfs/dbraw/zinc/77/43/20/365774320.db2.gz CSPOTUUKGSZAFX-UHFFFAOYSA-N 2 2 295.431 0.825 20 0 CCADLP Cc1nnccc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765878 365771145 /nfs/dbraw/zinc/77/11/45/365771145.db2.gz ULGOCLZWOYPFLG-UHFFFAOYSA-N 2 2 279.388 0.398 20 0 CCADLP Cc1nnccc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765878 365771148 /nfs/dbraw/zinc/77/11/48/365771148.db2.gz ULGOCLZWOYPFLG-UHFFFAOYSA-N 2 2 279.388 0.398 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cocn1 ZINC000617766378 365771514 /nfs/dbraw/zinc/77/15/14/365771514.db2.gz IEKZZEPXKNGIDO-UHFFFAOYSA-N 2 2 254.334 0.288 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cocn1 ZINC000617766378 365771518 /nfs/dbraw/zinc/77/15/18/365771518.db2.gz IEKZZEPXKNGIDO-UHFFFAOYSA-N 2 2 254.334 0.288 20 0 CCADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)C[C@@H]21 ZINC000423932015 529784587 /nfs/dbraw/zinc/78/45/87/529784587.db2.gz NGOVLPFHYDSGJX-HLPPOEQASA-N 2 2 293.411 0.308 20 0 CCADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)C[C@@H]21 ZINC000423932015 529784589 /nfs/dbraw/zinc/78/45/89/529784589.db2.gz NGOVLPFHYDSGJX-HLPPOEQASA-N 2 2 293.411 0.308 20 0 CCADLP C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)CCC[NH3+])C1 ZINC000423879929 529788372 /nfs/dbraw/zinc/78/83/72/529788372.db2.gz VTZLHTZFLFJEDP-ZDUSSCGKSA-N 2 2 269.389 0.295 20 0 CCADLP C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)CCC[NH3+])C1 ZINC000423879929 529788373 /nfs/dbraw/zinc/78/83/73/529788373.db2.gz VTZLHTZFLFJEDP-ZDUSSCGKSA-N 2 2 269.389 0.295 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cccc3c2OCO3)C1 ZINC000358158982 529800745 /nfs/dbraw/zinc/80/07/45/529800745.db2.gz JAHBILRUGQWYTF-CQSZACIVSA-N 2 2 264.325 0.572 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cccc3c2OCO3)C1 ZINC000358158982 529800747 /nfs/dbraw/zinc/80/07/47/529800747.db2.gz JAHBILRUGQWYTF-CQSZACIVSA-N 2 2 264.325 0.572 20 0 CCADLP CN(C)c1ccccc1C[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414967994 282301688 /nfs/dbraw/zinc/30/16/88/282301688.db2.gz QWAQKZSBNYVSDS-CQSZACIVSA-N 2 2 262.401 0.746 20 0 CCADLP C[N@H+](CCCCNC(=O)NCC[NH+]1CCOCC1)C1CC1 ZINC000454241457 529883152 /nfs/dbraw/zinc/88/31/52/529883152.db2.gz MMZBZSDKSMOGFP-UHFFFAOYSA-N 2 2 298.431 0.492 20 0 CCADLP C[N@@H+](CCCCNC(=O)NCC[NH+]1CCOCC1)C1CC1 ZINC000454241457 529883153 /nfs/dbraw/zinc/88/31/53/529883153.db2.gz MMZBZSDKSMOGFP-UHFFFAOYSA-N 2 2 298.431 0.492 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H](C2N=NC(=O)O2)C1)C1CC1 ZINC000450901735 529941954 /nfs/dbraw/zinc/94/19/54/529941954.db2.gz IJCDOPOHWWWOAI-ZYHUDNBSSA-N 2 2 296.371 0.410 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H](C2N=NC(=O)O2)C1)C1CC1 ZINC000450901735 529941955 /nfs/dbraw/zinc/94/19/55/529941955.db2.gz IJCDOPOHWWWOAI-ZYHUDNBSSA-N 2 2 296.371 0.410 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H](C2N=NC(=O)O2)C1)C1CC1 ZINC000450901735 529941956 /nfs/dbraw/zinc/94/19/56/529941956.db2.gz IJCDOPOHWWWOAI-ZYHUDNBSSA-N 2 2 296.371 0.410 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H](C2N=NC(=O)O2)C1)C1CC1 ZINC000450901735 529941958 /nfs/dbraw/zinc/94/19/58/529941958.db2.gz IJCDOPOHWWWOAI-ZYHUDNBSSA-N 2 2 296.371 0.410 20 0 CCADLP CCC(CC)[C@H](C(=O)N[C@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000127163997 187285904 /nfs/dbraw/zinc/28/59/04/187285904.db2.gz IWUVTABDJUFGBL-UONOGXRCSA-N 2 2 283.416 0.602 20 0 CCADLP CNC(=O)CCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000119018498 349915525 /nfs/dbraw/zinc/91/55/25/349915525.db2.gz FUEWVRVPQUNZMI-UHFFFAOYSA-N 2 2 297.322 0.759 20 0 CCADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000361431816 530055168 /nfs/dbraw/zinc/05/51/68/530055168.db2.gz WWOQSZRCDZBAKO-CQSZACIVSA-N 2 2 296.459 0.613 20 0 CCADLP C[N@H+]1CCC[C@@H](N2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000361431816 530055169 /nfs/dbraw/zinc/05/51/69/530055169.db2.gz WWOQSZRCDZBAKO-CQSZACIVSA-N 2 2 296.459 0.613 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)CC1 ZINC000451713169 530068035 /nfs/dbraw/zinc/06/80/35/530068035.db2.gz RKDDSQCWIMVXQU-ILXRZTDVSA-N 2 2 295.427 0.243 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)CC1 ZINC000451713169 530068036 /nfs/dbraw/zinc/06/80/36/530068036.db2.gz RKDDSQCWIMVXQU-ILXRZTDVSA-N 2 2 295.427 0.243 20 0 CCADLP Cc1cccc2ncc(C[NH2+]C[C@@]3(O)CC[N@@H+](C)C3)n21 ZINC000358164143 232055244 /nfs/dbraw/zinc/05/52/44/232055244.db2.gz NCSBRDCWQOIWQM-HNNXBMFYSA-N 2 2 274.368 0.799 20 0 CCADLP Cc1cccc2ncc(C[NH2+]C[C@@]3(O)CC[N@H+](C)C3)n21 ZINC000358164143 232055248 /nfs/dbraw/zinc/05/52/48/232055248.db2.gz NCSBRDCWQOIWQM-HNNXBMFYSA-N 2 2 274.368 0.799 20 0 CCADLP [NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2cccnc2)CCO1 ZINC000358349775 232086447 /nfs/dbraw/zinc/08/64/47/232086447.db2.gz DDIKPERESYINHQ-GFCCVEGCSA-N 2 2 264.329 0.070 20 0 CCADLP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2cccnc2)CCO1 ZINC000358349775 232086451 /nfs/dbraw/zinc/08/64/51/232086451.db2.gz DDIKPERESYINHQ-GFCCVEGCSA-N 2 2 264.329 0.070 20 0 CCADLP O=C(CCCn1cc[nH+]c1)NCC[NH+]1CCSCC1 ZINC000602179073 362545560 /nfs/dbraw/zinc/54/55/60/362545560.db2.gz DOBZWQXMDJHRHI-UHFFFAOYSA-N 2 2 282.413 0.828 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244519 412520187 /nfs/dbraw/zinc/52/01/87/412520187.db2.gz QHIZNQWWZTYRIM-FQUUOJAGSA-N 2 2 283.416 0.695 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244519 412520189 /nfs/dbraw/zinc/52/01/89/412520189.db2.gz QHIZNQWWZTYRIM-FQUUOJAGSA-N 2 2 283.416 0.695 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244519 412520190 /nfs/dbraw/zinc/52/01/90/412520190.db2.gz QHIZNQWWZTYRIM-FQUUOJAGSA-N 2 2 283.416 0.695 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244519 412520192 /nfs/dbraw/zinc/52/01/92/412520192.db2.gz QHIZNQWWZTYRIM-FQUUOJAGSA-N 2 2 283.416 0.695 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244703 412520553 /nfs/dbraw/zinc/52/05/53/412520553.db2.gz SNKJOUVXPXXICQ-RWMBFGLXSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244703 412520550 /nfs/dbraw/zinc/52/05/50/412520550.db2.gz SNKJOUVXPXXICQ-RWMBFGLXSA-N 2 2 294.399 0.577 20 0 CCADLP Cn1nccc1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000119532467 349941147 /nfs/dbraw/zinc/94/11/47/349941147.db2.gz OEWWIRWJUUEPTQ-UHFFFAOYSA-N 2 2 277.416 0.634 20 0 CCADLP C[C@H]1[C@@H](NC(=O)CCc2c[nH+]cn2C)CCC[N@@H+]1C ZINC000339177896 215000126 /nfs/dbraw/zinc/00/01/26/215000126.db2.gz ZYAJXXNAWQWEGN-AAEUAGOBSA-N 2 2 264.373 0.952 20 0 CCADLP C[C@H]1[C@@H](NC(=O)CCc2c[nH+]cn2C)CCC[N@H+]1C ZINC000339177896 215000130 /nfs/dbraw/zinc/00/01/30/215000130.db2.gz ZYAJXXNAWQWEGN-AAEUAGOBSA-N 2 2 264.373 0.952 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)CCCS(C)(=O)=O ZINC000119744241 349951039 /nfs/dbraw/zinc/95/10/39/349951039.db2.gz FMCPMOJBWXBCFT-UHFFFAOYSA-N 2 2 259.375 0.640 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)CCCS(C)(=O)=O ZINC000119744241 349951041 /nfs/dbraw/zinc/95/10/41/349951041.db2.gz FMCPMOJBWXBCFT-UHFFFAOYSA-N 2 2 259.375 0.640 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CN(c2ccncn2)C1 ZINC000631746445 370655199 /nfs/dbraw/zinc/65/51/99/370655199.db2.gz JULATNCUFIWSSU-SMDDNHRTSA-N 2 2 273.384 0.738 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CN(c2ccncn2)C1 ZINC000631746445 370655203 /nfs/dbraw/zinc/65/52/03/370655203.db2.gz JULATNCUFIWSSU-SMDDNHRTSA-N 2 2 273.384 0.738 20 0 CCADLP C[C@@H]1CC[N@H+](CCc2c[nH+]cn2C)CC[S@@]1=O ZINC000602823553 362820748 /nfs/dbraw/zinc/82/07/48/362820748.db2.gz VLSYNRBYLMJKBU-DIFFPNOSSA-N 2 2 255.387 0.806 20 0 CCADLP C[C@@H]1CC[N@@H+](CCc2c[nH+]cn2C)CC[S@@]1=O ZINC000602823553 362820754 /nfs/dbraw/zinc/82/07/54/362820754.db2.gz VLSYNRBYLMJKBU-DIFFPNOSSA-N 2 2 255.387 0.806 20 0 CCADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000076897787 136784786 /nfs/dbraw/zinc/78/47/86/136784786.db2.gz PNLREDLTDJGOFM-CYBMUJFWSA-N 2 2 291.395 0.986 20 0 CCADLP Cc1nn(C)c(C)c1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252668454 137003744 /nfs/dbraw/zinc/00/37/44/137003744.db2.gz XETJMXFRRHNHEO-UONOGXRCSA-N 2 2 278.400 0.990 20 0 CCADLP Cc1nn(C)c(C)c1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252668454 137003745 /nfs/dbraw/zinc/00/37/45/137003745.db2.gz XETJMXFRRHNHEO-UONOGXRCSA-N 2 2 278.400 0.990 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCOC[C@H]1CCCO1 ZINC000252967152 137004232 /nfs/dbraw/zinc/00/42/32/137004232.db2.gz TYULSPJRSBNQTM-RBSFLKMASA-N 2 2 286.416 0.929 20 0 CCADLP Cc1ncc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)s1 ZINC000257748469 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CCADLP C[NH2+]CCCC(=O)NCc1ccc[nH+]c1N(C)C ZINC000262659958 137049537 /nfs/dbraw/zinc/04/95/37/137049537.db2.gz FOKXGPAXGYQZMW-UHFFFAOYSA-N 2 2 250.346 0.763 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262950813 137055999 /nfs/dbraw/zinc/05/59/99/137055999.db2.gz JOVRSOSKAWWUBS-SECBINFHSA-N 2 2 258.272 0.305 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000262969283 137056367 /nfs/dbraw/zinc/05/63/67/137056367.db2.gz LRJQXLUOXKWAGT-MXWKQRLJSA-N 2 2 275.343 0.973 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000263019693 137056730 /nfs/dbraw/zinc/05/67/30/137056730.db2.gz QSSYWSFCAZMWQA-IJEWVQPXSA-N 2 2 296.459 0.646 20 0 CCADLP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263081115 137057870 /nfs/dbraw/zinc/05/78/70/137057870.db2.gz XMAGLCGUUJQCRY-VHSXEESVSA-N 2 2 261.316 0.584 20 0 CCADLP CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263081115 137057871 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C[C@@H](CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])[NH+]1CCN(C)CC1 ZINC000261887877 137024326 /nfs/dbraw/zinc/02/43/26/137024326.db2.gz UWOULRDWFFSUCG-MELADBBJSA-N 2 2 282.432 0.256 20 0 CCADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261904953 137025190 /nfs/dbraw/zinc/02/51/90/137025190.db2.gz WVDYICXDBKUJAQ-XJKSGUPXSA-N 2 2 294.443 0.271 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000262290186 137035093 /nfs/dbraw/zinc/03/50/93/137035093.db2.gz NLTWNVKSCPBUSP-MGPQQGTHSA-N 2 2 282.432 0.256 20 0 CCADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CCN(C2CC2)C1=O ZINC000120263009 349976809 /nfs/dbraw/zinc/97/68/09/349976809.db2.gz QTBUXSKOGHKLKU-ZDUSSCGKSA-N 2 2 262.357 0.968 20 0 CCADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCN(C2CC2)C1=O ZINC000120263009 349976813 /nfs/dbraw/zinc/97/68/13/349976813.db2.gz QTBUXSKOGHKLKU-ZDUSSCGKSA-N 2 2 262.357 0.968 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000313260680 137077643 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C[N@H+](CC(=O)NCC1CCC1)C1CC[NH+](CCO)CC1 ZINC000343055611 137112766 /nfs/dbraw/zinc/11/27/66/137112766.db2.gz ATGGHSQJNJPYRE-UHFFFAOYSA-N 2 2 283.416 0.291 20 0 CCADLP C[N@@H+](CC(=O)NCC1CCC1)C1CC[NH+](CCO)CC1 ZINC000343055611 137112767 /nfs/dbraw/zinc/11/27/67/137112767.db2.gz ATGGHSQJNJPYRE-UHFFFAOYSA-N 2 2 283.416 0.291 20 0 CCADLP CC[C@@]1(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CCC[NH2+]1 ZINC000343781956 137157077 /nfs/dbraw/zinc/15/70/77/137157077.db2.gz BNIRMHDOAJCFPD-HNNXBMFYSA-N 2 2 291.399 0.586 20 0 CCADLP C[C@@H]1C[C@H](C(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)CC[N@@H+]1C ZINC000343339525 137129556 /nfs/dbraw/zinc/12/95/56/137129556.db2.gz DSFZUKJJKYJQHY-UMVBOHGHSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H]1C[C@H](C(=O)NC[C@@H]2C[NH+](C3CC3)CCO2)CC[N@H+]1C ZINC000343339525 137129557 /nfs/dbraw/zinc/12/95/57/137129557.db2.gz DSFZUKJJKYJQHY-UMVBOHGHSA-N 2 2 295.427 0.696 20 0 CCADLP C[C@@H]1C[C@H](C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC[NH+]1C ZINC000343339525 137129558 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O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000684437096 545670976 /nfs/dbraw/zinc/67/09/76/545670976.db2.gz PPVXKVBHWLZFIT-ZDUSSCGKSA-N 2 2 262.357 0.943 20 0 CCADLP COc1cccc(CNC(=O)C[N@H+](C)C2CC[NH2+]CC2)c1 ZINC000036301218 348165953 /nfs/dbraw/zinc/16/59/53/348165953.db2.gz JISRDNJSYJXRIQ-UHFFFAOYSA-N 2 2 291.395 0.995 20 0 CCADLP COc1cccc(CNC(=O)C[N@@H+](C)C2CC[NH2+]CC2)c1 ZINC000036301218 348165954 /nfs/dbraw/zinc/16/59/54/348165954.db2.gz JISRDNJSYJXRIQ-UHFFFAOYSA-N 2 2 291.395 0.995 20 0 CCADLP Cc1cccc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)c1 ZINC000037871855 348215097 /nfs/dbraw/zinc/21/50/97/348215097.db2.gz NSSGFHQXMCNUJK-UHFFFAOYSA-N 2 2 261.369 0.859 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040600482 348238853 /nfs/dbraw/zinc/23/88/53/348238853.db2.gz ILQMBHXMBOUJCV-GFCCVEGCSA-N 2 2 284.404 0.544 20 0 CCADLP CCCCNC(=O)NC(=O)C[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000040600482 348238855 /nfs/dbraw/zinc/23/88/55/348238855.db2.gz ILQMBHXMBOUJCV-GFCCVEGCSA-N 2 2 284.404 0.544 20 0 CCADLP C[C@@H](CC[NH+]1CCOCC1)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000345745434 137249985 /nfs/dbraw/zinc/24/99/85/137249985.db2.gz VCAWKDHPURCOOI-QWRGUYRKSA-N 2 2 291.342 0.211 20 0 CCADLP CCN(C#N)CC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000602903158 362877487 /nfs/dbraw/zinc/87/74/87/362877487.db2.gz BXWPKHGBURCMKM-AWEZNQCLSA-N 2 2 268.405 0.832 20 0 CCADLP CCN(C#N)CC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000602903158 362877488 /nfs/dbraw/zinc/87/74/88/362877488.db2.gz BXWPKHGBURCMKM-AWEZNQCLSA-N 2 2 268.405 0.832 20 0 CCADLP CC[N@H+](CCO)CC[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000346262082 137275311 /nfs/dbraw/zinc/27/53/11/137275311.db2.gz ZGTWTZQMOUAPGM-UHFFFAOYSA-N 2 2 289.383 0.671 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000346262082 137275312 /nfs/dbraw/zinc/27/53/12/137275312.db2.gz ZGTWTZQMOUAPGM-UHFFFAOYSA-N 2 2 289.383 0.671 20 0 CCADLP COC(=O)[C@@]1(C)C[C@@H](OC)C[N@@H+]1CCc1c[nH+]cn1C ZINC000602934596 362897131 /nfs/dbraw/zinc/89/71/31/362897131.db2.gz HRXPRXKXUGIPGJ-TZMCWYRMSA-N 2 2 281.356 0.615 20 0 CCADLP COC(=O)[C@@]1(C)C[C@@H](OC)C[N@H+]1CCc1c[nH+]cn1C ZINC000602934596 362897135 /nfs/dbraw/zinc/89/71/35/362897135.db2.gz HRXPRXKXUGIPGJ-TZMCWYRMSA-N 2 2 281.356 0.615 20 0 CCADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000347025690 137316547 /nfs/dbraw/zinc/31/65/47/137316547.db2.gz NWRNZZOOMXYZDN-STQMWFEESA-N 2 2 285.432 0.990 20 0 CCADLP Cc1noc(CN2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000346852611 137308452 /nfs/dbraw/zinc/30/84/52/137308452.db2.gz SEIYUIDCCSXFDK-CYBMUJFWSA-N 2 2 279.388 0.495 20 0 CCADLP C[C@@H]1C[C@@H](O)CN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000349689525 137399636 /nfs/dbraw/zinc/39/96/36/137399636.db2.gz DDNUNDMWHOTOBC-TZMCWYRMSA-N 2 2 298.431 0.177 20 0 CCADLP COCC[N@H+](CCO)Cc1ncc(C[NH+](C)C)s1 ZINC000347777090 137356171 /nfs/dbraw/zinc/35/61/71/137356171.db2.gz AZIDFLVJTFOKML-UHFFFAOYSA-N 2 2 273.402 0.645 20 0 CCADLP COCC[N@@H+](CCO)Cc1ncc(C[NH+](C)C)s1 ZINC000347777090 137356172 /nfs/dbraw/zinc/35/61/72/137356172.db2.gz AZIDFLVJTFOKML-UHFFFAOYSA-N 2 2 273.402 0.645 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000347792149 137357708 /nfs/dbraw/zinc/35/77/08/137357708.db2.gz BUORKSYSIPCVRN-ZFWWWQNUSA-N 3 2 268.449 0.552 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000347792149 137357709 /nfs/dbraw/zinc/35/77/09/137357709.db2.gz BUORKSYSIPCVRN-ZFWWWQNUSA-N 3 2 268.449 0.552 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]CCCS(C)(=O)=O)[C@@H]2CCC[C@H]21 ZINC000353383546 290218374 /nfs/dbraw/zinc/21/83/74/290218374.db2.gz FWYMYJBMPGTIKZ-RWMBFGLXSA-N 2 2 274.430 0.884 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]CCCS(C)(=O)=O)[C@@H]2CCC[C@H]21 ZINC000353383546 290218379 /nfs/dbraw/zinc/21/83/79/290218379.db2.gz FWYMYJBMPGTIKZ-RWMBFGLXSA-N 2 2 274.430 0.884 20 0 CCADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000051760980 348493801 /nfs/dbraw/zinc/49/38/01/348493801.db2.gz OPFBGLUHBLCIFI-CYBMUJFWSA-N 2 2 269.389 0.261 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CCOC3)CC2)CC1 ZINC000051463905 348489491 /nfs/dbraw/zinc/48/94/91/348489491.db2.gz BLSHCPLEEDTIMD-CYBMUJFWSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H](C[NH+]1CCCCC1)NC[C@H](O)C[NH+]1CCOCC1 ZINC000049501176 348455446 /nfs/dbraw/zinc/45/54/46/348455446.db2.gz BUHXDFRBLUUAOR-CABCVRRESA-N 2 2 285.432 0.144 20 0 CCADLP COC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000050052342 348464278 /nfs/dbraw/zinc/46/42/78/348464278.db2.gz ZIOISJMNPPCDIO-CYBMUJFWSA-N 2 2 297.399 0.178 20 0 CCADLP COC(=O)C[C@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000050052342 348464279 /nfs/dbraw/zinc/46/42/79/348464279.db2.gz ZIOISJMNPPCDIO-CYBMUJFWSA-N 2 2 297.399 0.178 20 0 CCADLP C[NH2+][C@H](C)C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000054076176 348541367 /nfs/dbraw/zinc/54/13/67/348541367.db2.gz RWIFAUDAECFCIZ-CHWSQXEVSA-N 2 2 271.405 0.457 20 0 CCADLP COC(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051958879 348500725 /nfs/dbraw/zinc/50/07/25/348500725.db2.gz OIIIULNISWKIRH-UHFFFAOYSA-N 2 2 256.346 0.204 20 0 CCADLP C[C@H](C[NH3+])C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000054341609 348552376 /nfs/dbraw/zinc/55/23/76/348552376.db2.gz ACNHZMVPAZKDIJ-GFCCVEGCSA-N 2 2 262.357 0.321 20 0 CCADLP CN(C)c1nc(N)nc(C[NH+]2CCC(CC[NH3+])CC2)n1 ZINC000070188562 348877827 /nfs/dbraw/zinc/87/78/27/348877827.db2.gz PQHHMEXHSTVQOE-UHFFFAOYSA-N 2 2 279.392 0.081 20 0 CCADLP C[NH+](C)C1(CNC(=O)NCCn2cc[nH+]c2)CCOCC1 ZINC000073999115 348969094 /nfs/dbraw/zinc/96/90/94/348969094.db2.gz KKRCNAMUMQYFOK-UHFFFAOYSA-N 2 2 295.387 0.293 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@H+](CCNS(C)(=O)=O)C1 ZINC000076002114 349062529 /nfs/dbraw/zinc/06/25/29/349062529.db2.gz UBAIFYYZWQVNCG-GFCCVEGCSA-N 2 2 277.434 0.199 20 0 CCADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000076002114 349062530 /nfs/dbraw/zinc/06/25/30/349062530.db2.gz UBAIFYYZWQVNCG-GFCCVEGCSA-N 2 2 277.434 0.199 20 0 CCADLP O=C(NCc1[nH]cc[nH+]1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000080626063 349223607 /nfs/dbraw/zinc/22/36/07/349223607.db2.gz RNMNBLVUDMKZPK-LBPRGKRZSA-N 2 2 256.309 0.740 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000081014889 349239991 /nfs/dbraw/zinc/23/99/91/349239991.db2.gz WHVQWUAOXVQXGX-LBPRGKRZSA-N 2 2 266.345 0.028 20 0 CCADLP Cc1[nH+]ccn1CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000081014889 349239994 /nfs/dbraw/zinc/23/99/94/349239994.db2.gz WHVQWUAOXVQXGX-LBPRGKRZSA-N 2 2 266.345 0.028 20 0 CCADLP CS(=O)(=O)NCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080961808 349235847 /nfs/dbraw/zinc/23/58/47/349235847.db2.gz OEWRNGQTDTVNFH-SNVBAGLBSA-N 2 2 272.374 0.138 20 0 CCADLP CS(=O)(=O)NCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080961808 349235848 /nfs/dbraw/zinc/23/58/48/349235848.db2.gz OEWRNGQTDTVNFH-SNVBAGLBSA-N 2 2 272.374 0.138 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)c1ccsc1 ZINC000081249018 349252132 /nfs/dbraw/zinc/25/21/32/349252132.db2.gz GNMXFQOKDCWKJA-STQMWFEESA-N 2 2 297.424 0.798 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)c1ccsc1 ZINC000081249018 349252137 /nfs/dbraw/zinc/25/21/37/349252137.db2.gz GNMXFQOKDCWKJA-STQMWFEESA-N 2 2 297.424 0.798 20 0 CCADLP CCOCCNC(=O)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000084679229 349324363 /nfs/dbraw/zinc/32/43/63/349324363.db2.gz ADKFNDNCBMJNEG-UHFFFAOYSA-N 2 2 271.405 0.555 20 0 CCADLP CCOCCNC(=O)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000084679229 349324367 /nfs/dbraw/zinc/32/43/67/349324367.db2.gz ADKFNDNCBMJNEG-UHFFFAOYSA-N 2 2 271.405 0.555 20 0 CCADLP CCOCCNC(=O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000084695022 349324776 /nfs/dbraw/zinc/32/47/76/349324776.db2.gz STDBRUKOPOMCHL-GFCCVEGCSA-N 2 2 257.378 0.023 20 0 CCADLP CCOCCNC(=O)C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000084695022 349324778 /nfs/dbraw/zinc/32/47/78/349324778.db2.gz STDBRUKOPOMCHL-GFCCVEGCSA-N 2 2 257.378 0.023 20 0 CCADLP C[C@H](CC[NH+]1CCOCC1)[NH2+][C@@H](C)CC(=O)N(C)C ZINC000090046841 349423602 /nfs/dbraw/zinc/42/36/02/349423602.db2.gz RZECWZQKQMEXAF-OLZOCXBDSA-N 2 2 271.405 0.554 20 0 CCADLP CCCNC(=O)NC(=O)C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000123696793 350081172 /nfs/dbraw/zinc/08/11/72/350081172.db2.gz CAOZLDKLMDJIHW-NSHDSACASA-N 2 2 272.393 0.527 20 0 CCADLP CCCNC(=O)NC(=O)C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000123696793 350081174 /nfs/dbraw/zinc/08/11/74/350081174.db2.gz CAOZLDKLMDJIHW-NSHDSACASA-N 2 2 272.393 0.527 20 0 CCADLP COc1ccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])cc1F ZINC000122473539 350065787 /nfs/dbraw/zinc/06/57/87/350065787.db2.gz IPHFWJAYFCLOHU-GFCCVEGCSA-N 2 2 267.348 0.909 20 0 CCADLP COc1ccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])cc1F ZINC000122473539 350065788 /nfs/dbraw/zinc/06/57/88/350065788.db2.gz IPHFWJAYFCLOHU-GFCCVEGCSA-N 2 2 267.348 0.909 20 0 CCADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NC(=O)NC(C)(C)C ZINC000124588332 350102510 /nfs/dbraw/zinc/10/25/10/350102510.db2.gz IMWXFOPXEQQDLK-UWVGGRQHSA-N 2 2 270.377 0.422 20 0 CCADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NC(=O)NC(C)(C)C ZINC000124588332 350102512 /nfs/dbraw/zinc/10/25/12/350102512.db2.gz IMWXFOPXEQQDLK-UWVGGRQHSA-N 2 2 270.377 0.422 20 0 CCADLP C[NH2+]CCC[N@H+](C)CC(=O)NC(=O)NC1CCCC1 ZINC000124949819 350111216 /nfs/dbraw/zinc/11/12/16/350111216.db2.gz OYKPGWXWAYNRLT-UHFFFAOYSA-N 2 2 270.377 0.296 20 0 CCADLP C[NH2+]CCC[N@@H+](C)CC(=O)NC(=O)NC1CCCC1 ZINC000124949819 350111220 /nfs/dbraw/zinc/11/12/20/350111220.db2.gz OYKPGWXWAYNRLT-UHFFFAOYSA-N 2 2 270.377 0.296 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CSc3ccccc32)[C@@H](C[NH3+])C1 ZINC000124282979 350092984 /nfs/dbraw/zinc/09/29/84/350092984.db2.gz BJPFGRYHTUJAKY-WCQYABFASA-N 2 2 291.420 0.977 20 0 CCADLP COc1ccc(CN2CC[N@H+](C)C[C@H]2C[NH3+])cc1OC ZINC000124250097 350093570 /nfs/dbraw/zinc/09/35/70/350093570.db2.gz QYKMXICBNKFQFM-CYBMUJFWSA-N 2 2 279.384 0.779 20 0 CCADLP COc1ccc(CN2CC[N@@H+](C)C[C@H]2C[NH3+])cc1OC ZINC000124250097 350093572 /nfs/dbraw/zinc/09/35/72/350093572.db2.gz QYKMXICBNKFQFM-CYBMUJFWSA-N 2 2 279.384 0.779 20 0 CCADLP C[N@@H+]1CCN(C(=O)Cc2c[nH]c3ccccc23)[C@@H](C[NH3+])C1 ZINC000124310880 350095140 /nfs/dbraw/zinc/09/51/40/350095140.db2.gz SRLAZQQYHMUMQA-ZDUSSCGKSA-N 2 2 286.379 0.812 20 0 CCADLP C[N@H+]1CCN(C(=O)Cc2c[nH]c3ccccc23)[C@@H](C[NH3+])C1 ZINC000124310880 350095143 /nfs/dbraw/zinc/09/51/43/350095143.db2.gz SRLAZQQYHMUMQA-ZDUSSCGKSA-N 2 2 286.379 0.812 20 0 CCADLP Cc1nc(CN2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)no1 ZINC000125173572 350116349 /nfs/dbraw/zinc/11/63/49/350116349.db2.gz HMCCLWBTOKBIFE-CQSZACIVSA-N 2 2 293.415 0.980 20 0 CCADLP Cc1nc(CN2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)no1 ZINC000125173572 350116352 /nfs/dbraw/zinc/11/63/52/350116352.db2.gz HMCCLWBTOKBIFE-CQSZACIVSA-N 2 2 293.415 0.980 20 0 CCADLP CC[C@@H](C(=O)N1CC[NH+](CCOC(C)C)CC1)[NH+](C)C ZINC000125406089 350121190 /nfs/dbraw/zinc/12/11/90/350121190.db2.gz IOQXKYHKUQIPPH-AWEZNQCLSA-N 2 2 285.432 0.896 20 0 CCADLP O=C(C[C@@H]1CSCC[NH2+]1)NCCCn1cc[nH+]c1 ZINC000091134301 180102993 /nfs/dbraw/zinc/10/29/93/180102993.db2.gz LQPXVGQDZWXIJR-LLVKDONJSA-N 2 2 268.386 0.485 20 0 CCADLP C[C@H](O)CNc1cc(NCC[N@@H+]2CCCC[C@@H]2C)nc[nH+]1 ZINC000413060151 233321560 /nfs/dbraw/zinc/32/15/60/233321560.db2.gz MNHFHGADFPGUIO-STQMWFEESA-N 2 2 293.415 0.978 20 0 CCADLP C[C@H](O)CNc1cc(NCC[N@H+]2CCCC[C@@H]2C)nc[nH+]1 ZINC000413060151 233321564 /nfs/dbraw/zinc/32/15/64/233321564.db2.gz MNHFHGADFPGUIO-STQMWFEESA-N 2 2 293.415 0.978 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000104938768 186032190 /nfs/dbraw/zinc/03/21/90/186032190.db2.gz HKKGKKRGHCQGHJ-XQQFMLRXSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@H]([C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C)[NH+]1CCOCC1 ZINC000104938768 186032191 /nfs/dbraw/zinc/03/21/91/186032191.db2.gz HKKGKKRGHCQGHJ-XQQFMLRXSA-N 2 2 269.389 0.306 20 0 CCADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)NC(=O)NC1CCCC1 ZINC000129065766 350204234 /nfs/dbraw/zinc/20/42/34/350204234.db2.gz VUWBRHXZOKBUAB-QWRGUYRKSA-N 2 2 282.388 0.566 20 0 CCADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)NC(=O)NC1CCCC1 ZINC000129065766 350204240 /nfs/dbraw/zinc/20/42/40/350204240.db2.gz VUWBRHXZOKBUAB-QWRGUYRKSA-N 2 2 282.388 0.566 20 0 CCADLP CCOC(=O)CCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129197065 350207691 /nfs/dbraw/zinc/20/76/91/350207691.db2.gz WECAHZBPBLEBQU-CQSZACIVSA-N 2 2 284.400 0.984 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000105130173 186043324 /nfs/dbraw/zinc/04/33/24/186043324.db2.gz YYAHJXCZLHBDDX-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000105130173 186043325 /nfs/dbraw/zinc/04/33/25/186043325.db2.gz YYAHJXCZLHBDDX-STQMWFEESA-N 2 2 298.431 0.489 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000091669008 180223846 /nfs/dbraw/zinc/22/38/46/180223846.db2.gz WOYDEWWVHUUTPT-KGLIPLIRSA-N 2 2 277.368 0.523 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000091669008 180223847 /nfs/dbraw/zinc/22/38/47/180223847.db2.gz WOYDEWWVHUUTPT-KGLIPLIRSA-N 2 2 277.368 0.523 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@](C)([NH3+])c2ccccc2)C1 ZINC000091669731 180224362 /nfs/dbraw/zinc/22/43/62/180224362.db2.gz UDORJJNAVKIOSN-UKRRQHHQSA-N 2 2 277.368 0.307 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)[C@](C)([NH3+])c2ccccc2)C1 ZINC000091669731 180224364 /nfs/dbraw/zinc/22/43/64/180224364.db2.gz UDORJJNAVKIOSN-UKRRQHHQSA-N 2 2 277.368 0.307 20 0 CCADLP C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000091669379 180224370 /nfs/dbraw/zinc/22/43/70/180224370.db2.gz TVLQRBWXLJKIIO-CABCVRRESA-N 2 2 289.379 0.148 20 0 CCADLP C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000091669379 180224373 /nfs/dbraw/zinc/22/43/73/180224373.db2.gz TVLQRBWXLJKIIO-CABCVRRESA-N 2 2 289.379 0.148 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)CCOCC2CC2)CC1 ZINC000130849440 350250369 /nfs/dbraw/zinc/25/03/69/350250369.db2.gz RSAYNWBGVDZBNC-AWEZNQCLSA-N 2 2 297.443 0.897 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)CCOCC2CC2)CC1 ZINC000130849440 350250372 /nfs/dbraw/zinc/25/03/72/350250372.db2.gz RSAYNWBGVDZBNC-AWEZNQCLSA-N 2 2 297.443 0.897 20 0 CCADLP CCC(=O)N[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000130919824 350254364 /nfs/dbraw/zinc/25/43/64/350254364.db2.gz GZDJWJMUYFPMEF-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP CCC(=O)N[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000130919824 350254367 /nfs/dbraw/zinc/25/43/67/350254367.db2.gz GZDJWJMUYFPMEF-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NCC(F)(F)F ZINC000131609411 350281519 /nfs/dbraw/zinc/28/15/19/350281519.db2.gz YXDJOKAIKCJKMW-YUMQZZPRSA-N 2 2 253.268 0.334 20 0 CCADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NCC(F)(F)F ZINC000131609411 350281523 /nfs/dbraw/zinc/28/15/23/350281523.db2.gz YXDJOKAIKCJKMW-YUMQZZPRSA-N 2 2 253.268 0.334 20 0 CCADLP Cn1ncc2c1nc[nH+]c2NC[C@@](C)(O)C[NH+](C)C ZINC000132966107 350321462 /nfs/dbraw/zinc/32/14/62/350321462.db2.gz XRYALOGQIKFSIF-GFCCVEGCSA-N 2 2 264.333 0.088 20 0 CCADLP C[C@H](C(=O)NCc1[nH]cc[nH+]1)[NH+]1CCSCC1 ZINC000132046469 350295062 /nfs/dbraw/zinc/29/50/62/350295062.db2.gz RLRGDAUXLBWTBI-SECBINFHSA-N 2 2 254.359 0.463 20 0 CCADLP C[NH+](C)CCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000133452691 350335734 /nfs/dbraw/zinc/33/57/34/350335734.db2.gz DXXJSNRRDNZCHP-UHFFFAOYSA-N 2 2 291.399 0.911 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000136202523 350418569 /nfs/dbraw/zinc/41/85/69/350418569.db2.gz CSQKILFMYDTCSY-DGCLKSJQSA-N 2 2 250.346 0.920 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000136202477 350418815 /nfs/dbraw/zinc/41/88/15/350418815.db2.gz CSQKILFMYDTCSY-WCQYABFASA-N 2 2 250.346 0.920 20 0 CCADLP CC[C@@H]([NH3+])C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000152840372 350543486 /nfs/dbraw/zinc/54/34/86/350543486.db2.gz KSGCBSIUEMAKRS-SSDOTTSWSA-N 2 2 254.359 0.807 20 0 CCADLP CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154583581 350593631 /nfs/dbraw/zinc/59/36/31/350593631.db2.gz KEQJJXWUDRKDGX-PBWFPOADSA-N 2 2 251.374 0.776 20 0 CCADLP CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154583581 350593634 /nfs/dbraw/zinc/59/36/34/350593634.db2.gz KEQJJXWUDRKDGX-PBWFPOADSA-N 2 2 251.374 0.776 20 0 CCADLP CCO[C@H]1C[C@@]([NH3+])(C(=O)N(C)Cc2[nH+]ccn2C)C1(C)C ZINC000156976594 350637406 /nfs/dbraw/zinc/63/74/06/350637406.db2.gz NWXYTVSZBKQKTJ-XHDPSFHLSA-N 2 2 294.399 0.911 20 0 CCADLP COC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000156195039 350626637 /nfs/dbraw/zinc/62/66/37/350626637.db2.gz OZWKKTKXZDCLIK-AAEUAGOBSA-N 2 2 297.399 0.210 20 0 CCADLP COC(=O)C1CCN(C(=O)C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000156195039 350626640 /nfs/dbraw/zinc/62/66/40/350626640.db2.gz OZWKKTKXZDCLIK-AAEUAGOBSA-N 2 2 297.399 0.210 20 0 CCADLP C[C@@H](C(=O)N(C)C)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000156764442 350634593 /nfs/dbraw/zinc/63/45/93/350634593.db2.gz ATOKWUQOECIKEX-QWHCGFSZSA-N 2 2 269.389 0.117 20 0 CCADLP O=C(Cn1c[nH+]c2c1CCCC2)NCC[NH+]1CCOCC1 ZINC000540850155 290913003 /nfs/dbraw/zinc/91/30/03/290913003.db2.gz YDTOSYMKQZVTTN-UHFFFAOYSA-N 2 2 292.383 0.210 20 0 CCADLP O=C(NCCn1cc[nH+]c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000170740607 350856457 /nfs/dbraw/zinc/85/64/57/350856457.db2.gz UUAKOOPZPGTQEA-CYBMUJFWSA-N 2 2 277.372 0.763 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000111268376 186383974 /nfs/dbraw/zinc/38/39/74/186383974.db2.gz JKTGPHWRUPVJRA-UKRRQHHQSA-N 2 2 288.395 0.581 20 0 CCADLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@@H]1COCC[NH2+]1)C2 ZINC000168404876 350825917 /nfs/dbraw/zinc/82/59/17/350825917.db2.gz CEIMNDCHOUPFBI-LBPRGKRZSA-N 2 2 292.383 0.417 20 0 CCADLP C[NH+](C)CC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000171399178 350906005 /nfs/dbraw/zinc/90/60/05/350906005.db2.gz ODJZLUSKIQMCCA-UHFFFAOYSA-N 2 2 291.399 0.011 20 0 CCADLP C[NH+]1CCC(CCNC(=O)NCCn2cc[nH+]c2)CC1 ZINC000170880591 350870686 /nfs/dbraw/zinc/87/06/86/350870686.db2.gz AOGSMGVYHLKISV-UHFFFAOYSA-N 2 2 279.388 0.914 20 0 CCADLP CC[N@H+](C)C[C@H]1CC[NH+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000173884643 351060247 /nfs/dbraw/zinc/06/02/47/351060247.db2.gz MPUVGNPUXBWBSK-GFCCVEGCSA-N 2 2 296.415 0.590 20 0 CCADLP CC[N@@H+](C)C[C@H]1CC[NH+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000173884643 351060250 /nfs/dbraw/zinc/06/02/50/351060250.db2.gz MPUVGNPUXBWBSK-GFCCVEGCSA-N 2 2 296.415 0.590 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000173884643 351060254 /nfs/dbraw/zinc/06/02/54/351060254.db2.gz MPUVGNPUXBWBSK-GFCCVEGCSA-N 2 2 296.415 0.590 20 0 CCADLP CC[NH+](C)C[C@H]1CC[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C1 ZINC000173884643 351060256 /nfs/dbraw/zinc/06/02/56/351060256.db2.gz MPUVGNPUXBWBSK-GFCCVEGCSA-N 2 2 296.415 0.590 20 0 CCADLP C[NH2+]CCCC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000178722821 351242729 /nfs/dbraw/zinc/24/27/29/351242729.db2.gz FWCZRQINCWQEFK-CYBMUJFWSA-N 2 2 269.389 0.309 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000178744576 351243307 /nfs/dbraw/zinc/24/33/07/351243307.db2.gz BDEGXQAIVAKVRN-NSHDSACASA-N 2 2 257.378 0.197 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000178744576 351243310 /nfs/dbraw/zinc/24/33/10/351243310.db2.gz BDEGXQAIVAKVRN-NSHDSACASA-N 2 2 257.378 0.197 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000178861406 351249346 /nfs/dbraw/zinc/24/93/46/351249346.db2.gz FWQYWEVDCWQMPJ-AVGNSLFASA-N 2 2 269.389 0.149 20 0 CCADLP CCC[C@@H](C)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000181026118 351299148 /nfs/dbraw/zinc/29/91/48/351299148.db2.gz BKXUNMWZKTVEIE-KGLIPLIRSA-N 2 2 283.416 0.698 20 0 CCADLP C[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCC1 ZINC000181042207 351299860 /nfs/dbraw/zinc/29/98/60/351299860.db2.gz PECNEILWASDPHK-HIFRSBDPSA-N 2 2 295.427 0.698 20 0 CCADLP CN(C(=O)C[N@H+](C)CCCn1cc[nH+]c1)C1CC1 ZINC000181089482 351303094 /nfs/dbraw/zinc/30/30/94/351303094.db2.gz JELISCJHERZTSH-UHFFFAOYSA-N 2 2 250.346 0.826 20 0 CCADLP CN(C(=O)C[N@@H+](C)CCCn1cc[nH+]c1)C1CC1 ZINC000181089482 351303101 /nfs/dbraw/zinc/30/31/01/351303101.db2.gz JELISCJHERZTSH-UHFFFAOYSA-N 2 2 250.346 0.826 20 0 CCADLP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000339798677 215342003 /nfs/dbraw/zinc/34/20/03/215342003.db2.gz FBSXBBXVNLMVDC-QWHCGFSZSA-N 2 2 271.405 0.554 20 0 CCADLP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCOCC1 ZINC000339798677 215342004 /nfs/dbraw/zinc/34/20/04/215342004.db2.gz FBSXBBXVNLMVDC-QWHCGFSZSA-N 2 2 271.405 0.554 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+](Cc2ccncc2)C2CC2)CC1 ZINC000181471297 351320646 /nfs/dbraw/zinc/32/06/46/351320646.db2.gz QLUWWRJZFZUSMO-UHFFFAOYSA-N 2 2 288.395 0.820 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+](Cc2ccncc2)C2CC2)CC1 ZINC000181471297 351320650 /nfs/dbraw/zinc/32/06/50/351320650.db2.gz QLUWWRJZFZUSMO-UHFFFAOYSA-N 2 2 288.395 0.820 20 0 CCADLP CCC[C@H](C)C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000180049830 351279683 /nfs/dbraw/zinc/27/96/83/351279683.db2.gz XBOKPLITGMIURY-GJZGRUSLSA-N 2 2 297.443 0.945 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)c1ccc(C[NH3+])cc1 ZINC000186448140 351495620 /nfs/dbraw/zinc/49/56/20/351495620.db2.gz BSCPVOTWRMDPKO-UHFFFAOYSA-N 2 2 277.368 0.550 20 0 CCADLP C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000603308237 363058651 /nfs/dbraw/zinc/05/86/51/363058651.db2.gz BJMFRLXQNXJBQS-NSHDSACASA-N 2 2 288.355 0.732 20 0 CCADLP CNC(=O)C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188301705 351585503 /nfs/dbraw/zinc/58/55/03/351585503.db2.gz AILWXLBNBJCFES-INIZCTEOSA-N 2 2 291.395 0.301 20 0 CCADLP CNC(=O)C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188301705 351585509 /nfs/dbraw/zinc/58/55/09/351585509.db2.gz AILWXLBNBJCFES-INIZCTEOSA-N 2 2 291.395 0.301 20 0 CCADLP CNC(=O)C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188301705 351585512 /nfs/dbraw/zinc/58/55/12/351585512.db2.gz AILWXLBNBJCFES-INIZCTEOSA-N 2 2 291.395 0.301 20 0 CCADLP CNC(=O)C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188301705 351585516 /nfs/dbraw/zinc/58/55/16/351585516.db2.gz AILWXLBNBJCFES-INIZCTEOSA-N 2 2 291.395 0.301 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)[C@H]3C[C@H](F)C[NH2+]3)cn21 ZINC000188765600 351626311 /nfs/dbraw/zinc/62/63/11/351626311.db2.gz JUPNPVMWAFCHQQ-CMPLNLGQSA-N 2 2 276.315 0.959 20 0 CCADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000190981772 351742412 /nfs/dbraw/zinc/74/24/12/351742412.db2.gz KIWKPRMWTRJWIG-CYBMUJFWSA-N 2 2 294.447 0.759 20 0 CCADLP C[C@H]([NH3+])CCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000193320666 351823004 /nfs/dbraw/zinc/82/30/04/351823004.db2.gz ZITFVOSTPBSJNL-LBPRGKRZSA-N 3 2 270.421 0.256 20 0 CCADLP CN(C)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000193557662 351832873 /nfs/dbraw/zinc/83/28/73/351832873.db2.gz KTZZWWHPZBEQID-UHFFFAOYSA-N 2 2 256.394 0.626 20 0 CCADLP CN(C)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000193557662 351832876 /nfs/dbraw/zinc/83/28/76/351832876.db2.gz KTZZWWHPZBEQID-UHFFFAOYSA-N 2 2 256.394 0.626 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000122161059 187018127 /nfs/dbraw/zinc/01/81/27/187018127.db2.gz NZJQQZVKDZTWNL-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1 ZINC000225336234 352002465 /nfs/dbraw/zinc/00/24/65/352002465.db2.gz HWKZIDCBVGJYNF-LSDHHAIUSA-N 2 2 293.411 0.262 20 0 CCADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1 ZINC000225336234 352002466 /nfs/dbraw/zinc/00/24/66/352002466.db2.gz HWKZIDCBVGJYNF-LSDHHAIUSA-N 2 2 293.411 0.262 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)no1 ZINC000228475294 352075168 /nfs/dbraw/zinc/07/51/68/352075168.db2.gz VALZSFTWSYUONH-QJPTWQEYSA-N 2 2 278.356 0.981 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)no1 ZINC000228475294 352075172 /nfs/dbraw/zinc/07/51/72/352075172.db2.gz VALZSFTWSYUONH-QJPTWQEYSA-N 2 2 278.356 0.981 20 0 CCADLP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000230801536 352120549 /nfs/dbraw/zinc/12/05/49/352120549.db2.gz CCFDDGKPNVWHAV-UONOGXRCSA-N 2 2 277.368 0.442 20 0 CCADLP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000230801536 352120551 /nfs/dbraw/zinc/12/05/51/352120551.db2.gz CCFDDGKPNVWHAV-UONOGXRCSA-N 2 2 277.368 0.442 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000228917151 352086454 /nfs/dbraw/zinc/08/64/54/352086454.db2.gz UPGBBSYPTLOSCT-IFUGULHKSA-N 2 2 292.383 0.569 20 0 CCADLP CO[C@H](C[NH3+])CC(=O)NCCCCn1cc[nH+]c1 ZINC000232119424 352141929 /nfs/dbraw/zinc/14/19/29/352141929.db2.gz BAXMNMZGFFPADQ-NSHDSACASA-N 2 2 254.334 0.143 20 0 CCADLP CC(C)([NH3+])CNC(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000236603895 352199840 /nfs/dbraw/zinc/19/98/40/352199840.db2.gz OCNFZEVZOQHOGR-UHFFFAOYSA-N 2 2 291.399 0.057 20 0 CCADLP COC(=O)CCNC(=O)C[N@@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000603435304 363132296 /nfs/dbraw/zinc/13/22/96/363132296.db2.gz XPLJOKYJFWCYAQ-WOPDTQHZSA-N 2 2 285.388 0.113 20 0 CCADLP COC(=O)CCNC(=O)C[N@H+]1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000603435304 363132300 /nfs/dbraw/zinc/13/23/00/363132300.db2.gz XPLJOKYJFWCYAQ-WOPDTQHZSA-N 2 2 285.388 0.113 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000604081787 363178414 /nfs/dbraw/zinc/17/84/14/363178414.db2.gz KUINCXBXFYVAHH-LLVKDONJSA-N 2 2 250.346 0.863 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@H]1CCCC[N@H+]1C ZINC000604081787 363178419 /nfs/dbraw/zinc/17/84/19/363178419.db2.gz KUINCXBXFYVAHH-LLVKDONJSA-N 2 2 250.346 0.863 20 0 CCADLP [NH3+]CCCC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000237922084 352289286 /nfs/dbraw/zinc/28/92/86/352289286.db2.gz HGOWQDQNPFSZDZ-ZDUSSCGKSA-N 2 2 287.429 0.049 20 0 CCADLP CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000655417319 412564090 /nfs/dbraw/zinc/56/40/90/412564090.db2.gz HPAWUVIPWXFBTI-SMDDNHRTSA-N 2 2 264.373 0.935 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000245437246 352322800 /nfs/dbraw/zinc/32/28/00/352322800.db2.gz DRBNFBGDXJHXQK-STQMWFEESA-N 2 2 298.431 0.884 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000245437246 352322805 /nfs/dbraw/zinc/32/28/05/352322805.db2.gz DRBNFBGDXJHXQK-STQMWFEESA-N 2 2 298.431 0.884 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCCC[C@H]1O ZINC000245554665 352328575 /nfs/dbraw/zinc/32/85/75/352328575.db2.gz SKDXNJPSQPRRNC-UONOGXRCSA-N 2 2 283.416 0.243 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H]1CCCC[C@H]1O ZINC000245554665 352328579 /nfs/dbraw/zinc/32/85/79/352328579.db2.gz SKDXNJPSQPRRNC-UONOGXRCSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@H]([NH3+])[C@H](C)C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000248981450 352470980 /nfs/dbraw/zinc/47/09/80/352470980.db2.gz FPVMGOQTLLIUMF-CYDGBPFRSA-N 2 2 269.389 0.149 20 0 CCADLP NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000250104188 352502634 /nfs/dbraw/zinc/50/26/34/352502634.db2.gz ZBCDCYYIJUJDFR-MNOVXSKESA-N 2 2 299.396 0.643 20 0 CCADLP NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)o1 ZINC000250104188 352502637 /nfs/dbraw/zinc/50/26/37/352502637.db2.gz ZBCDCYYIJUJDFR-MNOVXSKESA-N 2 2 299.396 0.643 20 0 CCADLP CNC(=O)NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250358416 352504149 /nfs/dbraw/zinc/50/41/49/352504149.db2.gz AXLSQKGNZCTYCR-VXGBXAGGSA-N 2 2 282.388 0.439 20 0 CCADLP CNC(=O)NC(=O)CC[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250358416 352504154 /nfs/dbraw/zinc/50/41/54/352504154.db2.gz AXLSQKGNZCTYCR-VXGBXAGGSA-N 2 2 282.388 0.439 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000250323104 352504327 /nfs/dbraw/zinc/50/43/27/352504327.db2.gz VSVIPTIILQRNQR-KXUCPTDWSA-N 2 2 256.350 0.032 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000250323104 352504328 /nfs/dbraw/zinc/50/43/28/352504328.db2.gz VSVIPTIILQRNQR-KXUCPTDWSA-N 2 2 256.350 0.032 20 0 CCADLP COc1cc(C)[nH+]c(CN2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000250945579 352509208 /nfs/dbraw/zinc/50/92/08/352509208.db2.gz BQHQNCKHPVLDOG-CYBMUJFWSA-N 3 2 264.373 0.473 20 0 CCADLP COc1cc(C)[nH+]c(CN2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000250945579 352509210 /nfs/dbraw/zinc/50/92/10/352509210.db2.gz BQHQNCKHPVLDOG-CYBMUJFWSA-N 3 2 264.373 0.473 20 0 CCADLP CC[C@H]1C[N@H+](CC(=O)NC(=O)NC2CC2)CC[C@H]1[NH3+] ZINC000251854757 352511831 /nfs/dbraw/zinc/51/18/31/352511831.db2.gz SDWWWCXSHZCMAN-GXSJLCMTSA-N 2 2 268.361 0.034 20 0 CCADLP CC[C@H]1C[N@@H+](CC(=O)NC(=O)NC2CC2)CC[C@H]1[NH3+] ZINC000251854757 352511835 /nfs/dbraw/zinc/51/18/35/352511835.db2.gz SDWWWCXSHZCMAN-GXSJLCMTSA-N 2 2 268.361 0.034 20 0 CCADLP CCn1cc[nH+]c1CN1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000252756494 352524562 /nfs/dbraw/zinc/52/45/62/352524562.db2.gz AGJWLBGHTNIXFB-NWDGAFQWSA-N 2 2 252.362 0.841 20 0 CCADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCCCCC1 ZINC000261573046 352561515 /nfs/dbraw/zinc/56/15/15/352561515.db2.gz AOZGOQJKLHAADS-KBPBESRZSA-N 2 2 265.401 0.930 20 0 CCADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCCCCC1 ZINC000261573046 352561518 /nfs/dbraw/zinc/56/15/18/352561518.db2.gz AOZGOQJKLHAADS-KBPBESRZSA-N 2 2 265.401 0.930 20 0 CCADLP COc1cc(N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)ncn1 ZINC000262023370 352570318 /nfs/dbraw/zinc/57/03/18/352570318.db2.gz WIUPEGYSNWDBPF-CYBMUJFWSA-N 2 2 291.399 0.607 20 0 CCADLP CC(C)([NH3+])C[N@@H+]1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000262051615 352573598 /nfs/dbraw/zinc/57/35/98/352573598.db2.gz ZPMIRXJJBHYSAH-SECBINFHSA-N 2 2 265.361 0.425 20 0 CCADLP CC(C)([NH3+])C[N@H+]1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000262051615 352573601 /nfs/dbraw/zinc/57/36/01/352573601.db2.gz ZPMIRXJJBHYSAH-SECBINFHSA-N 2 2 265.361 0.425 20 0 CCADLP [NH3+]CC[N@H+](CCO)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000262092293 352577427 /nfs/dbraw/zinc/57/74/27/352577427.db2.gz HFMDDTSOZVBMJS-INIZCTEOSA-N 2 2 294.395 0.997 20 0 CCADLP [NH3+]CC[N@@H+](CCO)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000262092293 352577432 /nfs/dbraw/zinc/57/74/32/352577432.db2.gz HFMDDTSOZVBMJS-INIZCTEOSA-N 2 2 294.395 0.997 20 0 CCADLP CCC[N@H+](C[C@@]1(C)CC[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC000262144384 352583336 /nfs/dbraw/zinc/58/33/36/352583336.db2.gz ZJVJLHSYDDLKAM-STQMWFEESA-N 2 2 274.430 0.885 20 0 CCADLP CCC[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@H]1CCS(=O)(=O)C1 ZINC000262144384 352583339 /nfs/dbraw/zinc/58/33/39/352583339.db2.gz ZJVJLHSYDDLKAM-STQMWFEESA-N 2 2 274.430 0.885 20 0 CCADLP Cc1cc(C[NH+]2CCN(C(=O)/C=C/C[NH+](C)C)CC2)on1 ZINC000265644267 352653466 /nfs/dbraw/zinc/65/34/66/352653466.db2.gz MUDGFJROANDYAC-SNAWJCMRSA-N 2 2 292.383 0.745 20 0 CCADLP Cc1[nH+]ccn1CCCN(C)C(=O)NCC(F)(F)C[NH3+] ZINC000418539791 234159012 /nfs/dbraw/zinc/15/90/12/234159012.db2.gz NRMMMWQWWHCUPN-UHFFFAOYSA-N 2 2 289.330 0.817 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(Cc2cc(OC)cc[nH+]2)CC1 ZINC000266585119 352712224 /nfs/dbraw/zinc/71/22/24/352712224.db2.gz KAWHFCVSXAGNTP-AWEZNQCLSA-N 2 2 279.384 0.979 20 0 CCADLP Cc1[nH]c(C(=O)NC[C@@]2([NH+](C)C)CCSC2)c[nH+]1 ZINC000267165618 352749029 /nfs/dbraw/zinc/74/90/29/352749029.db2.gz ZPCCGAYFOLREGW-LBPRGKRZSA-N 2 2 268.386 0.885 20 0 CCADLP OCC[NH+]1CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000267196106 352751036 /nfs/dbraw/zinc/75/10/36/352751036.db2.gz IJSYJACTPGGZLE-UHFFFAOYSA-N 2 2 258.325 0.744 20 0 CCADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)Cn1cc[nH+]c1 ZINC000267217204 352752002 /nfs/dbraw/zinc/75/20/02/352752002.db2.gz ZQCZLWYSVAPHPO-LBPRGKRZSA-N 2 2 261.329 0.922 20 0 CCADLP Cn1ccc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)n1 ZINC000267293550 352757266 /nfs/dbraw/zinc/75/72/66/352757266.db2.gz JDDIIYLPLQJFHG-UHFFFAOYSA-N 2 2 294.403 0.568 20 0 CCADLP CCc1n[nH]cc1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000267297278 352758159 /nfs/dbraw/zinc/75/81/59/352758159.db2.gz WWPOJUFDBPNZNU-UHFFFAOYSA-N 2 2 293.415 0.728 20 0 CCADLP OCCC[N@H+](CCO)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267423004 352766541 /nfs/dbraw/zinc/76/65/41/352766541.db2.gz WUMYZNPEVJAUDB-UHFFFAOYSA-N 2 2 276.340 0.444 20 0 CCADLP OCCC[N@@H+](CCO)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000267423004 352766544 /nfs/dbraw/zinc/76/65/44/352766544.db2.gz WUMYZNPEVJAUDB-UHFFFAOYSA-N 2 2 276.340 0.444 20 0 CCADLP Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)c(C)[nH+]1 ZINC000268013893 352802837 /nfs/dbraw/zinc/80/28/37/352802837.db2.gz GBMMHUJJBNOEKR-SNVBAGLBSA-N 2 2 278.356 0.703 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1[nH+]ccn1C ZINC000268092776 352807587 /nfs/dbraw/zinc/80/75/87/352807587.db2.gz BGMOVKZYYAGPOC-PWSUYJOCSA-N 2 2 277.372 0.702 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1[nH+]ccn1C ZINC000268092776 352807594 /nfs/dbraw/zinc/80/75/94/352807594.db2.gz BGMOVKZYYAGPOC-PWSUYJOCSA-N 2 2 277.372 0.702 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)N1CC[N@H+](CCC(=O)OC)C[C@H]1C ZINC000423858829 535189779 /nfs/dbraw/zinc/18/97/79/535189779.db2.gz DXYPETAOPGHWCI-CHWSQXEVSA-N 2 2 299.415 0.470 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000423858829 535189787 /nfs/dbraw/zinc/18/97/87/535189787.db2.gz DXYPETAOPGHWCI-CHWSQXEVSA-N 2 2 299.415 0.470 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)C(=O)NCCCn1cc[nH+]c1 ZINC000271092981 353022048 /nfs/dbraw/zinc/02/20/48/353022048.db2.gz IJUPNPJFMNEVKX-CYBMUJFWSA-N 2 2 280.372 0.358 20 0 CCADLP COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CCn2cc[nH+]c2)C1 ZINC000270853168 352995646 /nfs/dbraw/zinc/99/56/46/352995646.db2.gz QEJGVJVIHUYYLU-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CCn2cc[nH+]c2)C1 ZINC000270853168 352995650 /nfs/dbraw/zinc/99/56/50/352995650.db2.gz QEJGVJVIHUYYLU-ZIAGYGMSSA-N 2 2 294.399 0.746 20 0 CCADLP CS[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1[NH+](C)C ZINC000270979359 353010709 /nfs/dbraw/zinc/01/07/09/353010709.db2.gz CTNLZRYLSSKVHX-RYUDHWBXSA-N 2 2 282.413 0.777 20 0 CCADLP CN(CC[N@H+](C)C1CC1)C(=O)CCn1cc[nH+]c1 ZINC000274603669 353144974 /nfs/dbraw/zinc/14/49/74/353144974.db2.gz UQMFJFKJCSVBAO-UHFFFAOYSA-N 2 2 250.346 0.826 20 0 CCADLP CN(CC[N@@H+](C)C1CC1)C(=O)CCn1cc[nH+]c1 ZINC000274603669 353144977 /nfs/dbraw/zinc/14/49/77/353144977.db2.gz UQMFJFKJCSVBAO-UHFFFAOYSA-N 2 2 250.346 0.826 20 0 CCADLP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000277024565 353218251 /nfs/dbraw/zinc/21/82/51/353218251.db2.gz HYGKBACQBJTILM-NWDGAFQWSA-N 2 2 295.387 0.137 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1CNc1nc[nH+]c(N)c1Cl ZINC000277351715 353238974 /nfs/dbraw/zinc/23/89/74/353238974.db2.gz GLGSIVAQVZCSPQ-MRVPVSSYSA-N 2 2 270.768 0.370 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1CNc1nc[nH+]c(N)c1Cl ZINC000277351715 353238975 /nfs/dbraw/zinc/23/89/75/353238975.db2.gz GLGSIVAQVZCSPQ-MRVPVSSYSA-N 2 2 270.768 0.370 20 0 CCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000655449452 412575544 /nfs/dbraw/zinc/57/55/44/412575544.db2.gz GVVCZMXFBZCFPK-YPMHNXCESA-N 2 2 274.368 0.798 20 0 CCADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)CCc1c[nH+]cn1C ZINC000279783351 353315891 /nfs/dbraw/zinc/31/58/91/353315891.db2.gz FPWKVCDPCQVGMQ-AWEZNQCLSA-N 2 2 296.415 0.826 20 0 CCADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc(=O)[nH][nH]1 ZINC000271678946 191274961 /nfs/dbraw/zinc/27/49/61/191274961.db2.gz JRBUOPZUEUVAMV-UHFFFAOYSA-N 2 2 250.306 0.125 20 0 CCADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc(=O)[nH][nH]1 ZINC000271678946 191274963 /nfs/dbraw/zinc/27/49/63/191274963.db2.gz JRBUOPZUEUVAMV-UHFFFAOYSA-N 2 2 250.306 0.125 20 0 CCADLP CN(C)C(=O)CC[NH+]1CCN(Cc2c[nH]c[nH+]2)CC1 ZINC000280488520 353365450 /nfs/dbraw/zinc/36/54/50/353365450.db2.gz OPLQRBSZARBWLJ-UHFFFAOYSA-N 2 2 265.361 0.006 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000282773250 353451034 /nfs/dbraw/zinc/45/10/34/353451034.db2.gz KSQSDYCQKGGVJL-GFCCVEGCSA-N 2 2 280.372 0.499 20 0 CCADLP [NH3+][C@@H]1CCC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000655457577 412579540 /nfs/dbraw/zinc/57/95/40/412579540.db2.gz ULVUXBOQOQMEBR-UTUOFQBUSA-N 2 2 262.357 0.832 20 0 CCADLP OC[C@@H]1CC[C@H](C[NH2+]Cc2cccc3[nH+]ccn32)O1 ZINC000292716429 198387256 /nfs/dbraw/zinc/38/72/56/198387256.db2.gz PBIXFMMERXEFHH-OLZOCXBDSA-N 2 2 261.325 0.964 20 0 CCADLP CC[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@@H+]1C[C@@H](C)O ZINC000283625821 353519802 /nfs/dbraw/zinc/51/98/02/353519802.db2.gz BBDLOFPAQFBNRY-BSWNYTGASA-N 2 2 292.383 0.727 20 0 CCADLP CC[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)CC[N@H+]1C[C@@H](C)O ZINC000283625821 353519805 /nfs/dbraw/zinc/51/98/05/353519805.db2.gz BBDLOFPAQFBNRY-BSWNYTGASA-N 2 2 292.383 0.727 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[NH2+]1 ZINC000655458488 412580234 /nfs/dbraw/zinc/58/02/34/412580234.db2.gz QCFWOHSONRLPEA-UTUOFQBUSA-N 2 2 262.357 0.702 20 0 CCADLP O[C@H](C[NH2+]Cc1c[nH]c2nccnc12)C[NH+]1CCCCC1 ZINC000290887356 353756309 /nfs/dbraw/zinc/75/63/09/353756309.db2.gz MRYOJMBAGIPQBC-CYBMUJFWSA-N 2 2 289.383 0.894 20 0 CCADLP C[C@H](O)CNc1cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)nc[nH+]1 ZINC000298787039 353970402 /nfs/dbraw/zinc/97/04/02/353970402.db2.gz DTUGBHHSOWKFPL-SDDRHHMPSA-N 2 2 277.372 0.267 20 0 CCADLP C[C@H](O)CNc1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)nc[nH+]1 ZINC000298787039 353970403 /nfs/dbraw/zinc/97/04/03/353970403.db2.gz DTUGBHHSOWKFPL-SDDRHHMPSA-N 2 2 277.372 0.267 20 0 CCADLP C[C@H](O)CNc1cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)[nH+]cn1 ZINC000298787039 353970405 /nfs/dbraw/zinc/97/04/05/353970405.db2.gz DTUGBHHSOWKFPL-SDDRHHMPSA-N 2 2 277.372 0.267 20 0 CCADLP C[C@H](O)CNc1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)[nH+]cn1 ZINC000298787039 353970407 /nfs/dbraw/zinc/97/04/07/353970407.db2.gz DTUGBHHSOWKFPL-SDDRHHMPSA-N 2 2 277.372 0.267 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000606371263 363281043 /nfs/dbraw/zinc/28/10/43/363281043.db2.gz FNGFKXBXBBRKQW-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000606371263 363281048 /nfs/dbraw/zinc/28/10/48/363281048.db2.gz FNGFKXBXBBRKQW-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP C[C@@H](O)CNc1cc(NCC[N@H+]2CC=CCC2)nc[nH+]1 ZINC000299096680 353989989 /nfs/dbraw/zinc/98/99/89/353989989.db2.gz WKHLUJUSKKQHDS-GFCCVEGCSA-N 2 2 277.372 0.943 20 0 CCADLP C[C@@H](O)CNc1cc(NCC[N@@H+]2CC=CCC2)nc[nH+]1 ZINC000299096680 353989992 /nfs/dbraw/zinc/98/99/92/353989992.db2.gz WKHLUJUSKKQHDS-GFCCVEGCSA-N 2 2 277.372 0.943 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1CC[NH2+][C@H](C)C1 ZINC000300138256 354058813 /nfs/dbraw/zinc/05/88/13/354058813.db2.gz KCWQURKFAJZPIP-GRYCIOLGSA-N 2 2 250.346 0.776 20 0 CCADLP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc2c(c1)OCO2 ZINC000305130484 354132689 /nfs/dbraw/zinc/13/26/89/354132689.db2.gz MVLNFUZJFFRGPS-PWSUYJOCSA-N 2 2 266.341 0.988 20 0 CCADLP CN(C)c1nc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc[nH+]1 ZINC000607144835 363339628 /nfs/dbraw/zinc/33/96/28/363339628.db2.gz UJXOJUFQVDVNFB-QWHCGFSZSA-N 2 2 291.399 0.578 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@H](O)CC(F)(F)F ZINC000307947440 354181847 /nfs/dbraw/zinc/18/18/47/354181847.db2.gz NFOIWMPYUSLODF-NXEZZACHSA-N 2 2 269.311 0.135 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@H](O)CC(F)(F)F ZINC000307947440 354181851 /nfs/dbraw/zinc/18/18/51/354181851.db2.gz NFOIWMPYUSLODF-NXEZZACHSA-N 2 2 269.311 0.135 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](CO)c1ccccc1 ZINC000310815779 354192669 /nfs/dbraw/zinc/19/26/69/354192669.db2.gz AUVFQUUUFOAPBW-UONOGXRCSA-N 2 2 252.358 0.622 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](CO)c1ccccc1 ZINC000310815779 354192672 /nfs/dbraw/zinc/19/26/72/354192672.db2.gz AUVFQUUUFOAPBW-UONOGXRCSA-N 2 2 252.358 0.622 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]C[C@](C)(O)C(F)(F)F ZINC000310988045 354195325 /nfs/dbraw/zinc/19/53/25/354195325.db2.gz KVCRNYCDOGYQKU-ZJUUUORDSA-N 2 2 269.311 0.135 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C[C@](C)(O)C(F)(F)F ZINC000310988045 354195328 /nfs/dbraw/zinc/19/53/28/354195328.db2.gz KVCRNYCDOGYQKU-ZJUUUORDSA-N 2 2 269.311 0.135 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC([C@@H](C)O)CC1 ZINC000311431200 354199319 /nfs/dbraw/zinc/19/93/19/354199319.db2.gz CUVTULQQWDTJET-OCCSQVGLSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC([C@@H](C)O)CC1 ZINC000311431200 354199322 /nfs/dbraw/zinc/19/93/22/354199322.db2.gz CUVTULQQWDTJET-OCCSQVGLSA-N 2 2 274.405 0.018 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000312457428 354208248 /nfs/dbraw/zinc/20/82/48/354208248.db2.gz YCPFIYLCIITKAG-ZDUSSCGKSA-N 2 2 288.432 0.815 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000312457428 354208250 /nfs/dbraw/zinc/20/82/50/354208250.db2.gz YCPFIYLCIITKAG-ZDUSSCGKSA-N 2 2 288.432 0.815 20 0 CCADLP C[C@H]1CCCN(C(=O)C[N@@H+]2CCCO[C@H](C[NH3+])C2)C1 ZINC000313343776 354212632 /nfs/dbraw/zinc/21/26/32/354212632.db2.gz PIWVJPMIJNECAX-QWHCGFSZSA-N 2 2 269.389 0.295 20 0 CCADLP C[C@H]1CCCN(C(=O)C[N@H+]2CCCO[C@H](C[NH3+])C2)C1 ZINC000313343776 354212635 /nfs/dbraw/zinc/21/26/35/354212635.db2.gz PIWVJPMIJNECAX-QWHCGFSZSA-N 2 2 269.389 0.295 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000313985507 354221814 /nfs/dbraw/zinc/22/18/14/354221814.db2.gz MYHHHYINDVGQIN-OWCLPIDISA-N 3 2 299.459 0.342 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000313985507 354221816 /nfs/dbraw/zinc/22/18/16/354221816.db2.gz MYHHHYINDVGQIN-OWCLPIDISA-N 3 2 299.459 0.342 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000313985507 354221820 /nfs/dbraw/zinc/22/18/20/354221820.db2.gz MYHHHYINDVGQIN-OWCLPIDISA-N 3 2 299.459 0.342 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000313985507 354221822 /nfs/dbraw/zinc/22/18/22/354221822.db2.gz MYHHHYINDVGQIN-OWCLPIDISA-N 3 2 299.459 0.342 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000314362015 354222254 /nfs/dbraw/zinc/22/22/54/354222254.db2.gz XUGNYMZFGFHFDV-HUUCEWRRSA-N 2 2 294.443 0.224 20 0 CCADLP CC[N@@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000330394786 354342962 /nfs/dbraw/zinc/34/29/62/354342962.db2.gz MHKHOAJHCHWSSG-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP CC[N@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC000330394786 354342966 /nfs/dbraw/zinc/34/29/66/354342966.db2.gz MHKHOAJHCHWSSG-LBPRGKRZSA-N 2 2 250.346 0.874 20 0 CCADLP C=Cn1cc(C[NH2+]C2(CCO)CC[NH+](C)CC2)cn1 ZINC000331331919 354538780 /nfs/dbraw/zinc/53/87/80/354538780.db2.gz UWCFGZULMQYUJP-UHFFFAOYSA-N 2 2 264.373 0.920 20 0 CCADLP CNC(=O)[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)C(C)C ZINC000331245759 354503944 /nfs/dbraw/zinc/50/39/44/354503944.db2.gz SEZZMAGZZZZHAP-NSHDSACASA-N 2 2 267.377 0.346 20 0 CCADLP O=C1CCCN1C[C@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000331410589 354566789 /nfs/dbraw/zinc/56/67/89/354566789.db2.gz OSTLBFWXKYUQRR-CYBMUJFWSA-N 2 2 292.383 0.572 20 0 CCADLP C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000332394700 354660916 /nfs/dbraw/zinc/66/09/16/354660916.db2.gz OCQNXRHSMIWZBT-OCCSQVGLSA-N 2 2 291.399 0.184 20 0 CCADLP C[C@@H]1C[C@H](O)C[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000332394700 354660920 /nfs/dbraw/zinc/66/09/20/354660920.db2.gz OCQNXRHSMIWZBT-OCCSQVGLSA-N 2 2 291.399 0.184 20 0 CCADLP CC(C)[C@@H](C(=O)N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C)[NH+](C)C ZINC000557580023 291036808 /nfs/dbraw/zinc/03/68/08/291036808.db2.gz TVICTGBMRKQVBQ-KKUMJFAQSA-N 2 2 297.443 0.894 20 0 CCADLP CCC(C)(C)[NH+]1CCN(C(=O)[C@H]2CSC[NH2+]2)CC1 ZINC000655495097 412597126 /nfs/dbraw/zinc/59/71/26/412597126.db2.gz TUKAGNXRWCPMFM-LLVKDONJSA-N 2 2 271.430 0.982 20 0 CCADLP Cc1nc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)nc(N(C)C)[nH+]1 ZINC000532014874 358490751 /nfs/dbraw/zinc/49/07/51/358490751.db2.gz DASMGXJLFWROGW-NWDGAFQWSA-N 2 2 276.388 0.707 20 0 CCADLP Cc1nc(N[C@H]2CC[N@H+]3CCCC[C@H]23)nc(N(C)C)[nH+]1 ZINC000532014874 358490752 /nfs/dbraw/zinc/49/07/52/358490752.db2.gz DASMGXJLFWROGW-NWDGAFQWSA-N 2 2 276.388 0.707 20 0 CCADLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(-n2cc[nH+]c2)c1 ZINC000334641893 354916489 /nfs/dbraw/zinc/91/64/89/354916489.db2.gz JWLUVLXUYYKONV-WDNDVIMCSA-N 2 2 268.320 0.820 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)N1CCCC1 ZINC000334991970 354940234 /nfs/dbraw/zinc/94/02/34/354940234.db2.gz FNOAQFJFLXMOAN-AWEZNQCLSA-N 2 2 251.374 0.684 20 0 CCADLP O=C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)N1CCCC1 ZINC000334991970 354940238 /nfs/dbraw/zinc/94/02/38/354940238.db2.gz FNOAQFJFLXMOAN-AWEZNQCLSA-N 2 2 251.374 0.684 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000335475925 355000851 /nfs/dbraw/zinc/00/08/51/355000851.db2.gz DWPPPSHOECKYDB-ZDUSSCGKSA-N 2 2 251.374 0.777 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000335475925 355000854 /nfs/dbraw/zinc/00/08/54/355000854.db2.gz DWPPPSHOECKYDB-ZDUSSCGKSA-N 2 2 251.374 0.777 20 0 CCADLP CN(C(=O)[C@@H]1CSC[NH2+]1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000336032857 355077520 /nfs/dbraw/zinc/07/75/20/355077520.db2.gz ZOPUELLGCYJJQD-MNOVXSKESA-N 2 2 255.387 0.344 20 0 CCADLP CN(C(=O)[C@@H]1CSC[NH2+]1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000336032857 355077522 /nfs/dbraw/zinc/07/75/22/355077522.db2.gz ZOPUELLGCYJJQD-MNOVXSKESA-N 2 2 255.387 0.344 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+](C)C[C@H]1CCCCO1)C1CC1 ZINC000336792933 355165666 /nfs/dbraw/zinc/16/56/66/355165666.db2.gz UTXASMLEJNAHMM-ZIAGYGMSSA-N 2 2 256.390 0.942 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+](C)C[C@H]1CCCCO1)C1CC1 ZINC000336792933 355165669 /nfs/dbraw/zinc/16/56/69/355165669.db2.gz UTXASMLEJNAHMM-ZIAGYGMSSA-N 2 2 256.390 0.942 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)C[C@H]1CCCCO1 ZINC000336792933 355165672 /nfs/dbraw/zinc/16/56/72/355165672.db2.gz UTXASMLEJNAHMM-ZIAGYGMSSA-N 2 2 256.390 0.942 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)C[C@H]1CCCCO1 ZINC000336792933 355165673 /nfs/dbraw/zinc/16/56/73/355165673.db2.gz UTXASMLEJNAHMM-ZIAGYGMSSA-N 2 2 256.390 0.942 20 0 CCADLP [NH3+][C@@H]1C[C@@H]1C(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000424137650 235159836 /nfs/dbraw/zinc/15/98/36/235159836.db2.gz SJOMZGCMKIYLMZ-UONOGXRCSA-N 2 2 284.363 0.937 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C3CC3)C2)CC1 ZINC000336626845 355127037 /nfs/dbraw/zinc/12/70/37/355127037.db2.gz XTNLFRMHRJDANE-ZDUSSCGKSA-N 2 2 251.374 0.492 20 0 CCADLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C3CC3)C2)CC1 ZINC000336626845 355127039 /nfs/dbraw/zinc/12/70/39/355127039.db2.gz XTNLFRMHRJDANE-ZDUSSCGKSA-N 2 2 251.374 0.492 20 0 CCADLP O=C(NC[C@H]1C[NH2+]CCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000423994000 235133717 /nfs/dbraw/zinc/13/37/17/235133717.db2.gz RNNVMUPPCPQNKK-CQSZACIVSA-N 2 2 286.335 0.591 20 0 CCADLP CC[NH+]1CCC([N@H+](C)CCN2CCOCC2)CC1 ZINC000336690517 355136372 /nfs/dbraw/zinc/13/63/72/355136372.db2.gz BUGBXXSILWTLOC-UHFFFAOYSA-N 2 2 255.406 0.735 20 0 CCADLP CC[NH+]1CCC([N@@H+](C)CCN2CCOCC2)CC1 ZINC000336690517 355136375 /nfs/dbraw/zinc/13/63/75/355136375.db2.gz BUGBXXSILWTLOC-UHFFFAOYSA-N 2 2 255.406 0.735 20 0 CCADLP C[C@@H]([NH3+])C[N@H+](C)C[C@H](O)COCc1ccccc1 ZINC000336706271 355143931 /nfs/dbraw/zinc/14/39/31/355143931.db2.gz IIVBVUIFDNLJRS-OCCSQVGLSA-N 2 2 252.358 0.843 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+](C)C[C@H](O)COCc1ccccc1 ZINC000336706271 355143934 /nfs/dbraw/zinc/14/39/34/355143934.db2.gz IIVBVUIFDNLJRS-OCCSQVGLSA-N 2 2 252.358 0.843 20 0 CCADLP Nc1ccc(NC(=O)c2cn[nH]c2[C@@H]2CCC[NH2+]C2)c[nH+]1 ZINC000424079290 235148387 /nfs/dbraw/zinc/14/83/87/235148387.db2.gz RBBAMFPYRBWMLB-SECBINFHSA-N 2 2 286.339 0.937 20 0 CCADLP O=C(C[NH2+]C[C@H]1CCCO1)NC[C@@H]1CC[NH2+]CC1(F)F ZINC000424165573 235165885 /nfs/dbraw/zinc/16/58/85/235165885.db2.gz GBMJBRKJUJHEIZ-WDEREUQCSA-N 2 2 291.342 0.116 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCn2cncn2)CC1 ZINC000336841267 355212572 /nfs/dbraw/zinc/21/25/72/355212572.db2.gz ZOJSYDBJVUNXOQ-OAHLLOKOSA-N 2 2 292.431 0.380 20 0 CCADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCn2cncn2)CC1 ZINC000336841267 355212574 /nfs/dbraw/zinc/21/25/74/355212574.db2.gz ZOJSYDBJVUNXOQ-OAHLLOKOSA-N 2 2 292.431 0.380 20 0 CCADLP C[C@@H]1C[N@@H+](CCN(C)C(=O)C2([NH3+])CCOCC2)C[C@H](C)O1 ZINC000424182363 235172301 /nfs/dbraw/zinc/17/23/01/235172301.db2.gz TVFKJHMMDLDJQC-BETUJISGSA-N 2 2 299.415 0.062 20 0 CCADLP C[C@@H]1C[N@H+](CCN(C)C(=O)C2([NH3+])CCOCC2)C[C@H](C)O1 ZINC000424182363 235172304 /nfs/dbraw/zinc/17/23/04/235172304.db2.gz TVFKJHMMDLDJQC-BETUJISGSA-N 2 2 299.415 0.062 20 0 CCADLP [NH3+][C@@H]1C[C@@H]1C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000424160224 235164177 /nfs/dbraw/zinc/16/41/77/235164177.db2.gz TXLSQEVXVHVMEK-UONOGXRCSA-N 2 2 275.352 0.384 20 0 CCADLP C[C@@H]1COCCN1CC[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000337122014 355269855 /nfs/dbraw/zinc/26/98/55/355269855.db2.gz AYBURWPNUDRXFI-CQSZACIVSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H]1COCCN1CC[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000337122014 355269858 /nfs/dbraw/zinc/26/98/58/355269858.db2.gz AYBURWPNUDRXFI-CQSZACIVSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCN(C)C1CC[NH+](CCO)CC1 ZINC000337122014 355269861 /nfs/dbraw/zinc/26/98/61/355269861.db2.gz AYBURWPNUDRXFI-CQSZACIVSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCN(C)C1CC[NH+](CCO)CC1 ZINC000337122014 355269863 /nfs/dbraw/zinc/26/98/63/355269863.db2.gz AYBURWPNUDRXFI-CQSZACIVSA-N 2 2 285.432 0.096 20 0 CCADLP COCCn1cc(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)cn1 ZINC000337268779 355293742 /nfs/dbraw/zinc/29/37/42/355293742.db2.gz YBCWZRSKMRERRE-DGCLKSJQSA-N 2 2 252.362 0.569 20 0 CCADLP COCCn1cc(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)cn1 ZINC000337268779 355293744 /nfs/dbraw/zinc/29/37/44/355293744.db2.gz YBCWZRSKMRERRE-DGCLKSJQSA-N 2 2 252.362 0.569 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000558641811 291063649 /nfs/dbraw/zinc/06/36/49/291063649.db2.gz GNGKUUAUNXHGCT-AWEZNQCLSA-N 2 2 285.351 0.531 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCc3ncsc3C2)CC1 ZINC000338381507 355336407 /nfs/dbraw/zinc/33/64/07/355336407.db2.gz WJCQYMOUFOVJFY-UHFFFAOYSA-N 2 2 294.424 0.665 20 0 CCADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCc3ncsc3C2)CC1 ZINC000338381507 355336410 /nfs/dbraw/zinc/33/64/10/355336410.db2.gz WJCQYMOUFOVJFY-UHFFFAOYSA-N 2 2 294.424 0.665 20 0 CCADLP CS[C@@H]1CN(CC[N@@H+]2CCOC[C@@H]2C)C[C@@H]1[NH+](C)C ZINC000337187170 355281183 /nfs/dbraw/zinc/28/11/83/355281183.db2.gz PUEDYSIJQWNOAH-MELADBBJSA-N 2 2 287.473 0.685 20 0 CCADLP CS[C@@H]1CN(CC[N@H+]2CCOC[C@@H]2C)C[C@@H]1[NH+](C)C ZINC000337187170 355281186 /nfs/dbraw/zinc/28/11/86/355281186.db2.gz PUEDYSIJQWNOAH-MELADBBJSA-N 2 2 287.473 0.685 20 0 CCADLP CC[N@H+](CCNC(=O)[C@H](C)[NH+]1CCOCC1)C1CC1 ZINC000338454815 355352625 /nfs/dbraw/zinc/35/26/25/355352625.db2.gz IZZJJTVUCLHEBF-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP CC[N@@H+](CCNC(=O)[C@H](C)[NH+]1CCOCC1)C1CC1 ZINC000338454815 355352629 /nfs/dbraw/zinc/35/26/29/355352629.db2.gz IZZJJTVUCLHEBF-LBPRGKRZSA-N 2 2 269.389 0.308 20 0 CCADLP COCC(C)(C)[NH+]1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000424982026 235247102 /nfs/dbraw/zinc/24/71/02/235247102.db2.gz CBYQIOCNYLZMLM-UHFFFAOYSA-N 2 2 294.399 0.761 20 0 CCADLP C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425367998 235289758 /nfs/dbraw/zinc/28/97/58/235289758.db2.gz JHWDHPCKSCHDFM-VXGBXAGGSA-N 2 2 266.389 0.936 20 0 CCADLP C[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)C[NH+](C)C ZINC000341270395 355642580 /nfs/dbraw/zinc/64/25/80/355642580.db2.gz WQFHGOQAJCBMLR-RYUDHWBXSA-N 2 2 264.373 0.759 20 0 CCADLP CC(C)[C@@H](CNC1=[NH+]CCCN1)[NH+]1CCOCC1 ZINC000341631962 355708023 /nfs/dbraw/zinc/70/80/23/355708023.db2.gz NAYHYBWJNCFGLP-GFCCVEGCSA-N 2 2 254.378 0.282 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000342766699 355741495 /nfs/dbraw/zinc/74/14/95/355741495.db2.gz WMRUDSCHVTVFEW-RRFJBIMHSA-N 2 2 295.427 0.698 20 0 CCADLP COc1cc(C[N@H+](C)C2CC[NH+](CCO)CC2)ccn1 ZINC000342858903 355760488 /nfs/dbraw/zinc/76/04/88/355760488.db2.gz HRZWQXLFTTWRNQ-UHFFFAOYSA-N 2 2 279.384 0.979 20 0 CCADLP COc1cc(C[N@@H+](C)C2CC[NH+](CCO)CC2)ccn1 ZINC000342858903 355760489 /nfs/dbraw/zinc/76/04/89/355760489.db2.gz HRZWQXLFTTWRNQ-UHFFFAOYSA-N 2 2 279.384 0.979 20 0 CCADLP Cn1nccc1[C@H]1[C@@H]([NH2+]Cc2c[nH+]c[nH]2)CC(=O)N1C ZINC000343486653 355771009 /nfs/dbraw/zinc/77/10/09/355771009.db2.gz ZAXDXIVWEBQLLM-GXFFZTMASA-N 2 2 274.328 0.205 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000348218624 355889441 /nfs/dbraw/zinc/88/94/41/355889441.db2.gz XWXLGOXKOCQTEZ-RYUDHWBXSA-N 2 2 277.372 0.846 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000348218624 355889445 /nfs/dbraw/zinc/88/94/45/355889445.db2.gz XWXLGOXKOCQTEZ-RYUDHWBXSA-N 2 2 277.372 0.846 20 0 CCADLP CCOc1cccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)n1 ZINC000352694871 356056735 /nfs/dbraw/zinc/05/67/35/356056735.db2.gz SBYJEMPQCZXNRE-HNNXBMFYSA-N 2 2 290.411 0.960 20 0 CCADLP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C(=O)NCCF ZINC000352856871 356096715 /nfs/dbraw/zinc/09/67/15/356096715.db2.gz HVHRBKMKKPGQPH-VIFPVBQESA-N 2 2 288.392 0.769 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCCn2cc(CO)nn2)C1 ZINC000353191900 356175045 /nfs/dbraw/zinc/17/50/45/356175045.db2.gz LAAATPQHTLLDAI-WCQYABFASA-N 2 2 267.377 0.090 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCCn2cc(CO)nn2)C1 ZINC000353191900 356175048 /nfs/dbraw/zinc/17/50/48/356175048.db2.gz LAAATPQHTLLDAI-WCQYABFASA-N 2 2 267.377 0.090 20 0 CCADLP Cc1ccc(O)c(C[N@@H+](C)C2CC[NH+](CCO)CC2)n1 ZINC000353362009 356210115 /nfs/dbraw/zinc/21/01/15/356210115.db2.gz XEAPRLYPTGSQLA-UHFFFAOYSA-N 2 2 279.384 0.984 20 0 CCADLP Cc1ccc(O)c(C[N@H+](C)C2CC[NH+](CCO)CC2)n1 ZINC000353362009 356210117 /nfs/dbraw/zinc/21/01/17/356210117.db2.gz XEAPRLYPTGSQLA-UHFFFAOYSA-N 2 2 279.384 0.984 20 0 CCADLP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000353426968 356219405 /nfs/dbraw/zinc/21/94/05/356219405.db2.gz KSGRDCWSCQFNGQ-MCIONIFRSA-N 2 2 283.416 0.457 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+](Cc1cccnc1)C1CC1 ZINC000559639169 291086484 /nfs/dbraw/zinc/08/64/84/291086484.db2.gz KVKSGHXSJCEHNP-MRXNPFEDSA-N 2 2 293.411 0.985 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+](Cc1cccnc1)C1CC1 ZINC000559639169 291086485 /nfs/dbraw/zinc/08/64/85/291086485.db2.gz KVKSGHXSJCEHNP-MRXNPFEDSA-N 2 2 293.411 0.985 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+](Cc1cccnc1)C1CC1 ZINC000559639169 291086486 /nfs/dbraw/zinc/08/64/86/291086486.db2.gz KVKSGHXSJCEHNP-MRXNPFEDSA-N 2 2 293.411 0.985 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+](Cc1cccnc1)C1CC1 ZINC000559639169 291086487 /nfs/dbraw/zinc/08/64/87/291086487.db2.gz KVKSGHXSJCEHNP-MRXNPFEDSA-N 2 2 293.411 0.985 20 0 CCADLP Cn1ccc(C[N@H+](C)C2CC[NH+](CCO)CC2)c1 ZINC000353362675 356209784 /nfs/dbraw/zinc/20/97/84/356209784.db2.gz FTSGXYHRZSUHRI-UHFFFAOYSA-N 2 2 251.374 0.914 20 0 CCADLP Cn1ccc(C[N@@H+](C)C2CC[NH+](CCO)CC2)c1 ZINC000353362675 356209786 /nfs/dbraw/zinc/20/97/86/356209786.db2.gz FTSGXYHRZSUHRI-UHFFFAOYSA-N 2 2 251.374 0.914 20 0 CCADLP CCCC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000353581817 356253444 /nfs/dbraw/zinc/25/34/44/356253444.db2.gz YWTHFPVEHJJOSC-VXGBXAGGSA-N 2 2 257.378 0.341 20 0 CCADLP CCCC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000353581817 356253450 /nfs/dbraw/zinc/25/34/50/356253450.db2.gz YWTHFPVEHJJOSC-VXGBXAGGSA-N 2 2 257.378 0.341 20 0 CCADLP C[C@H](CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)Cn1cc[nH+]c1 ZINC000360820688 138012276 /nfs/dbraw/zinc/01/22/76/138012276.db2.gz WIMJCQWYSYVIDO-NXEZZACHSA-N 2 2 272.299 0.633 20 0 CCADLP CN(CC[N@@H+]1CCCOCC1)Cc1[nH+]ccn1C ZINC000361323043 138029070 /nfs/dbraw/zinc/02/90/70/138029070.db2.gz CIDCMQFXMPUUQZ-UHFFFAOYSA-N 2 2 252.362 0.574 20 0 CCADLP CN(CC[N@H+]1CCCOCC1)Cc1[nH+]ccn1C ZINC000361323043 138029071 /nfs/dbraw/zinc/02/90/71/138029071.db2.gz CIDCMQFXMPUUQZ-UHFFFAOYSA-N 2 2 252.362 0.574 20 0 CCADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2C=C[C@H](CO)C2)CC1 ZINC000360983490 138017885 /nfs/dbraw/zinc/01/78/85/138017885.db2.gz AVHXMRUSAVEJDN-ZFWWWQNUSA-N 2 2 296.411 0.931 20 0 CCADLP OC[C@H]1C[C@H](O)C[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000361138794 138023076 /nfs/dbraw/zinc/02/30/76/138023076.db2.gz CVDDATUFDKGOCL-PWSUYJOCSA-N 2 2 279.365 0.861 20 0 CCADLP OC[C@H]1C[C@H](O)C[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000361138794 138023077 /nfs/dbraw/zinc/02/30/77/138023077.db2.gz CVDDATUFDKGOCL-PWSUYJOCSA-N 2 2 279.365 0.861 20 0 CCADLP CNC(=O)C[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000361887780 138036997 /nfs/dbraw/zinc/03/69/97/138036997.db2.gz FUOFABQWBCEFFF-VXGBXAGGSA-N 2 2 257.378 0.069 20 0 CCADLP CCOCC[NH+]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000362049264 138043969 /nfs/dbraw/zinc/04/39/69/138043969.db2.gz ZTVRWZPMEUTYCG-IYBDPMFKSA-N 2 2 297.443 0.504 20 0 CCADLP CCOCC[NH+]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000362049264 138043970 /nfs/dbraw/zinc/04/39/70/138043970.db2.gz ZTVRWZPMEUTYCG-IYBDPMFKSA-N 2 2 297.443 0.504 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)N(C)CCCn1cc[nH+]c1C ZINC000362235515 138051850 /nfs/dbraw/zinc/05/18/50/138051850.db2.gz KTNCPOSQSHMTSE-AWEZNQCLSA-N 2 2 294.399 0.761 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)N(C)CCCn1cc[nH+]c1C ZINC000362235515 138051851 /nfs/dbraw/zinc/05/18/51/138051851.db2.gz KTNCPOSQSHMTSE-AWEZNQCLSA-N 2 2 294.399 0.761 20 0 CCADLP C[C@H]1CCN(Cc2nnnn2C)C[C@@H]1n1cc[nH+]c1 ZINC000362399945 138057067 /nfs/dbraw/zinc/05/70/67/138057067.db2.gz CUGWXUSALAYKNX-QWRGUYRKSA-N 2 2 261.333 0.490 20 0 CCADLP C[C@H]1CC[N@H+](Cc2nnnn2C)C[C@@H]1n1cc[nH+]c1 ZINC000362399945 138057068 /nfs/dbraw/zinc/05/70/68/138057068.db2.gz CUGWXUSALAYKNX-QWRGUYRKSA-N 2 2 261.333 0.490 20 0 CCADLP C[C@H]1CC[N@@H+](Cc2nnnn2C)C[C@@H]1n1cc[nH+]c1 ZINC000362399945 138057069 /nfs/dbraw/zinc/05/70/69/138057069.db2.gz CUGWXUSALAYKNX-QWRGUYRKSA-N 2 2 261.333 0.490 20 0 CCADLP C[C@H](C(=O)N1CC[NH+](C2CCC2)CC1)N1CC[NH+](C)CC1 ZINC000354361541 356399506 /nfs/dbraw/zinc/39/95/06/356399506.db2.gz QGZDPGQAUSIOFX-CQSZACIVSA-N 2 2 294.443 0.319 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCO[C@@H](C3CC3)C2)CC1 ZINC000362556982 138064144 /nfs/dbraw/zinc/06/41/44/138064144.db2.gz ATVCQEPVHFDYLT-OAHLLOKOSA-N 2 2 295.427 0.698 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCO[C@@H](C3CC3)C2)CC1 ZINC000362556982 138064145 /nfs/dbraw/zinc/06/41/45/138064145.db2.gz ATVCQEPVHFDYLT-OAHLLOKOSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H](CF)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000354623675 356456022 /nfs/dbraw/zinc/45/60/22/356456022.db2.gz FPAIDVMSZFRBSG-NSHDSACASA-N 2 2 274.384 0.670 20 0 CCADLP CCOC(=O)c1coc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000354643330 356461817 /nfs/dbraw/zinc/46/18/17/356461817.db2.gz FVGAWKLMMJYLPB-AWEZNQCLSA-N 2 2 282.340 0.613 20 0 CCADLP CCOC(=O)c1coc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000354643330 356461822 /nfs/dbraw/zinc/46/18/22/356461822.db2.gz FVGAWKLMMJYLPB-AWEZNQCLSA-N 2 2 282.340 0.613 20 0 CCADLP CC(C)[C@H](O)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354557947 356438693 /nfs/dbraw/zinc/43/86/93/356438693.db2.gz IDPFDCFWILQENG-HIFRSBDPSA-N 2 2 297.443 0.630 20 0 CCADLP CC(C)[C@H](O)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354557947 356438694 /nfs/dbraw/zinc/43/86/94/356438694.db2.gz IDPFDCFWILQENG-HIFRSBDPSA-N 2 2 297.443 0.630 20 0 CCADLP CC(C)(O)C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000354918093 356528710 /nfs/dbraw/zinc/52/87/10/356528710.db2.gz KTUAUGLWGPBZQZ-UHFFFAOYSA-N 2 2 285.432 0.144 20 0 CCADLP CC(C)(O)C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000354918093 356528713 /nfs/dbraw/zinc/52/87/13/356528713.db2.gz KTUAUGLWGPBZQZ-UHFFFAOYSA-N 2 2 285.432 0.144 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609257758 363480952 /nfs/dbraw/zinc/48/09/52/363480952.db2.gz DJEWMQWHPHFTBK-NWDGAFQWSA-N 2 2 294.355 0.198 20 0 CCADLP COC(=O)CNC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609257758 363480959 /nfs/dbraw/zinc/48/09/59/363480959.db2.gz DJEWMQWHPHFTBK-NWDGAFQWSA-N 2 2 294.355 0.198 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC[N@H+]1CCOC[C@@H]1C ZINC000356132994 356709168 /nfs/dbraw/zinc/70/91/68/356709168.db2.gz PXMCUECRPISRPM-STQMWFEESA-N 2 2 295.387 0.292 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000356265416 356736657 /nfs/dbraw/zinc/73/66/57/356736657.db2.gz NWFYJKYEGYPINF-GFCCVEGCSA-N 2 2 295.387 0.211 20 0 CCADLP Cc1[nH+]ccn1CCNC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000356265416 356736660 /nfs/dbraw/zinc/73/66/60/356736660.db2.gz NWFYJKYEGYPINF-GFCCVEGCSA-N 2 2 295.387 0.211 20 0 CCADLP CC[N@H+](CCNC(=O)NCC[NH+]1CCOC[C@H]1C)C1CC1 ZINC000356313370 356744526 /nfs/dbraw/zinc/74/45/26/356744526.db2.gz QWOHMKCWPFFPMW-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CC[N@@H+](CCNC(=O)NCC[NH+]1CCOC[C@H]1C)C1CC1 ZINC000356313370 356744531 /nfs/dbraw/zinc/74/45/31/356744531.db2.gz QWOHMKCWPFFPMW-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP CC[NH+](CCNC(=O)NCC[N@H+]1CCOC[C@H]1C)C1CC1 ZINC000356313370 356744537 /nfs/dbraw/zinc/74/45/37/356744537.db2.gz QWOHMKCWPFFPMW-CYBMUJFWSA-N 2 2 298.431 0.491 20 0 CCADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)NC(C1CC1)C1CC1 ZINC000359289090 356795419 /nfs/dbraw/zinc/79/54/19/356795419.db2.gz QASXZRDGHUMUAF-CHWSQXEVSA-N 2 2 263.385 0.442 20 0 CCADLP C[C@H](C(=O)NCc1ccccc1F)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359312856 356800424 /nfs/dbraw/zinc/80/04/24/356800424.db2.gz STSGQEOVVOMSSL-XBFCOCLRSA-N 2 2 291.370 0.982 20 0 CCADLP CCCN(CCC[NH+](C)C)C(=O)[C@H](C)[NH+]1CCN(C)CC1 ZINC000347902902 283222580 /nfs/dbraw/zinc/22/25/80/283222580.db2.gz KXVXJLHEIYQDJO-HNNXBMFYSA-N 2 2 298.475 0.813 20 0 CCADLP CC[NH+]1CCC(CCNC(=O)[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000359471521 356827811 /nfs/dbraw/zinc/82/78/11/356827811.db2.gz MIDSYSPVSQPGTD-CQSZACIVSA-N 2 2 297.443 0.945 20 0 CCADLP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000359568113 356847065 /nfs/dbraw/zinc/84/70/65/356847065.db2.gz WFZOBWQMYBVJEC-GHMZBOCLSA-N 2 2 280.372 0.901 20 0 CCADLP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1cc(C[NH+](C)C)on1 ZINC000359568113 356847068 /nfs/dbraw/zinc/84/70/68/356847068.db2.gz WFZOBWQMYBVJEC-GHMZBOCLSA-N 2 2 280.372 0.901 20 0 CCADLP CCNC(=O)[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655682896 412646018 /nfs/dbraw/zinc/64/60/18/412646018.db2.gz MZBGSACKMPWWLP-AAEUAGOBSA-N 2 2 269.389 0.354 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CCOC3)C2)CC1 ZINC000364208141 357095824 /nfs/dbraw/zinc/09/58/24/357095824.db2.gz RAZCQWXWCMUUPF-STQMWFEESA-N 2 2 281.400 0.308 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CCOC3)C2)CC1 ZINC000364208141 357095829 /nfs/dbraw/zinc/09/58/29/357095829.db2.gz RAZCQWXWCMUUPF-STQMWFEESA-N 2 2 281.400 0.308 20 0 CCADLP CCC[N@@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000619902175 366382818 /nfs/dbraw/zinc/38/28/18/366382818.db2.gz BEFUSBGTTOTFCF-LLVKDONJSA-N 2 2 250.346 0.943 20 0 CCADLP CCC[N@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC000619902175 366382829 /nfs/dbraw/zinc/38/28/29/366382829.db2.gz BEFUSBGTTOTFCF-LLVKDONJSA-N 2 2 250.346 0.943 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000366635040 357228641 /nfs/dbraw/zinc/22/86/41/357228641.db2.gz PBMOVWNVGMUGLI-UMVBOHGHSA-N 2 2 281.400 0.213 20 0 CCADLP C[C@@H](CCCO)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655722792 412653020 /nfs/dbraw/zinc/65/30/20/412653020.db2.gz IODKPBHULOBJEJ-GXTWGEPZSA-N 2 2 256.390 0.990 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000366892144 357250776 /nfs/dbraw/zinc/25/07/76/357250776.db2.gz YNSUNZWRUKOKRY-LBPRGKRZSA-N 2 2 294.399 0.914 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000366892144 357250780 /nfs/dbraw/zinc/25/07/80/357250780.db2.gz YNSUNZWRUKOKRY-LBPRGKRZSA-N 2 2 294.399 0.914 20 0 CCADLP COCCC[N@H+](C)CCNC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000366892144 357250782 /nfs/dbraw/zinc/25/07/82/357250782.db2.gz YNSUNZWRUKOKRY-LBPRGKRZSA-N 2 2 294.399 0.914 20 0 CCADLP COCCC[N@@H+](C)CCNC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000366892144 357250786 /nfs/dbraw/zinc/25/07/86/357250786.db2.gz YNSUNZWRUKOKRY-LBPRGKRZSA-N 2 2 294.399 0.914 20 0 CCADLP O=C1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CN1C1CC1 ZINC000655730420 412653143 /nfs/dbraw/zinc/65/31/43/412653143.db2.gz JLWJAOXPQMXISF-DZGCQCFKSA-N 2 2 293.411 0.593 20 0 CCADLP Cn1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)nn1 ZINC000655752232 412654031 /nfs/dbraw/zinc/65/40/31/412654031.db2.gz WBHRZFXFAFQKOK-AWEZNQCLSA-N 2 2 279.388 0.548 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000376092735 357431078 /nfs/dbraw/zinc/43/10/78/357431078.db2.gz AQEQXUGDZKJDJN-VXGBXAGGSA-N 2 2 284.404 0.637 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000376092735 357431081 /nfs/dbraw/zinc/43/10/81/357431081.db2.gz AQEQXUGDZKJDJN-VXGBXAGGSA-N 2 2 284.404 0.637 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCn3ccnc32)C1 ZINC000655755264 412656190 /nfs/dbraw/zinc/65/61/90/412656190.db2.gz VNCPKMLGLRAVFK-DGCLKSJQSA-N 2 2 250.346 0.374 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCn3ccnc32)C1 ZINC000655755264 412656193 /nfs/dbraw/zinc/65/61/93/412656193.db2.gz VNCPKMLGLRAVFK-DGCLKSJQSA-N 2 2 250.346 0.374 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000619902599 366383771 /nfs/dbraw/zinc/38/37/71/366383771.db2.gz LIRSNCKPNDLIQA-LBPRGKRZSA-N 2 2 250.346 0.943 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC000619902599 366383773 /nfs/dbraw/zinc/38/37/73/366383773.db2.gz LIRSNCKPNDLIQA-LBPRGKRZSA-N 2 2 250.346 0.943 20 0 CCADLP CCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000619902599 366383776 /nfs/dbraw/zinc/38/37/76/366383776.db2.gz LIRSNCKPNDLIQA-LBPRGKRZSA-N 2 2 250.346 0.943 20 0 CCADLP CCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC000619902599 366383778 /nfs/dbraw/zinc/38/37/78/366383778.db2.gz LIRSNCKPNDLIQA-LBPRGKRZSA-N 2 2 250.346 0.943 20 0 CCADLP CO[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655775927 412658465 /nfs/dbraw/zinc/65/84/65/412658465.db2.gz CYHVINMKNOWIQW-HZSPNIEDSA-N 2 2 270.373 0.243 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000449344298 236028919 /nfs/dbraw/zinc/02/89/19/236028919.db2.gz BVWGXVRNNUORHE-VXGBXAGGSA-N 2 2 269.389 0.069 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000449344298 236028920 /nfs/dbraw/zinc/02/89/20/236028920.db2.gz BVWGXVRNNUORHE-VXGBXAGGSA-N 2 2 269.389 0.069 20 0 CCADLP COc1nccc(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)n1 ZINC000449093298 236015884 /nfs/dbraw/zinc/01/58/84/236015884.db2.gz OLYZZIFIUGEGMO-ZDUSSCGKSA-N 2 2 280.372 0.422 20 0 CCADLP COCCN1CC[C@@H]([NH2+][C@H]2CCC[N@H+](CCCO)C2)C1 ZINC000449397115 236033301 /nfs/dbraw/zinc/03/33/01/236033301.db2.gz ODUNVBNSMAHNFA-LSDHHAIUSA-N 2 2 285.432 0.144 20 0 CCADLP COCCN1CC[C@@H]([NH2+][C@H]2CCC[N@@H+](CCCO)C2)C1 ZINC000449397115 236033303 /nfs/dbraw/zinc/03/33/03/236033303.db2.gz ODUNVBNSMAHNFA-LSDHHAIUSA-N 2 2 285.432 0.144 20 0 CCADLP C[C@@H]1[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCS1(=O)=O ZINC000380933232 357706728 /nfs/dbraw/zinc/70/67/28/357706728.db2.gz IOJFLZSKOAANFM-MROQNXINSA-N 2 2 272.414 0.778 20 0 CCADLP C[C@@H]1[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCS1(=O)=O ZINC000380933232 357706730 /nfs/dbraw/zinc/70/67/30/357706730.db2.gz IOJFLZSKOAANFM-MROQNXINSA-N 2 2 272.414 0.778 20 0 CCADLP COCCn1cc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cn1 ZINC000449392102 236031550 /nfs/dbraw/zinc/03/15/50/236031550.db2.gz IWCSHJWNJIRCKW-OAHLLOKOSA-N 2 2 296.415 0.466 20 0 CCADLP COCCn1cc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cn1 ZINC000449392102 236031552 /nfs/dbraw/zinc/03/15/52/236031552.db2.gz IWCSHJWNJIRCKW-OAHLLOKOSA-N 2 2 296.415 0.466 20 0 CCADLP Cn1cc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cn1 ZINC000449392679 236031981 /nfs/dbraw/zinc/03/19/81/236031981.db2.gz KSYAMAVMHRZQFQ-CYBMUJFWSA-N 2 2 252.362 0.357 20 0 CCADLP Cn1cc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cn1 ZINC000449392679 236031983 /nfs/dbraw/zinc/03/19/83/236031983.db2.gz KSYAMAVMHRZQFQ-CYBMUJFWSA-N 2 2 252.362 0.357 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000389166608 357736099 /nfs/dbraw/zinc/73/60/99/357736099.db2.gz ZPEJQURNPKTTKF-KKUMJFAQSA-N 3 2 269.433 0.715 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000389166608 357736100 /nfs/dbraw/zinc/73/61/00/357736100.db2.gz ZPEJQURNPKTTKF-KKUMJFAQSA-N 3 2 269.433 0.715 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000389166608 357736101 /nfs/dbraw/zinc/73/61/01/357736101.db2.gz ZPEJQURNPKTTKF-KKUMJFAQSA-N 3 2 269.433 0.715 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000389166608 357736103 /nfs/dbraw/zinc/73/61/03/357736103.db2.gz ZPEJQURNPKTTKF-KKUMJFAQSA-N 3 2 269.433 0.715 20 0 CCADLP Cc1cc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)ccn1 ZINC000391166973 357745894 /nfs/dbraw/zinc/74/58/94/357745894.db2.gz DHEKQKUEIKYYGH-UHFFFAOYSA-N 2 2 262.357 0.254 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(S(C)(=O)=O)C2)C[N@@H+]1C1CC1 ZINC000400112892 357786862 /nfs/dbraw/zinc/78/68/62/357786862.db2.gz GSEJHGQZPPFBKS-GRYCIOLGSA-N 2 2 287.429 0.235 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(S(C)(=O)=O)C2)C[N@H+]1C1CC1 ZINC000400112892 357786864 /nfs/dbraw/zinc/78/68/64/357786864.db2.gz GSEJHGQZPPFBKS-GRYCIOLGSA-N 2 2 287.429 0.235 20 0 CCADLP COC(=O)c1cc(C[NH2+][C@H]2CCC[N@H+](C)C2)c[nH]1 ZINC000610651961 363590616 /nfs/dbraw/zinc/59/06/16/363590616.db2.gz BCBCHIJVXGDLGC-NSHDSACASA-N 2 2 251.330 0.985 20 0 CCADLP COC(=O)c1cc(C[NH2+][C@H]2CCC[N@@H+](C)C2)c[nH]1 ZINC000610651961 363590621 /nfs/dbraw/zinc/59/06/21/363590621.db2.gz BCBCHIJVXGDLGC-NSHDSACASA-N 2 2 251.330 0.985 20 0 CCADLP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000561169281 291119142 /nfs/dbraw/zinc/11/91/42/291119142.db2.gz QLZWGTRFMDQEGS-STQMWFEESA-N 2 2 276.384 0.904 20 0 CCADLP CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC000561169281 291119144 /nfs/dbraw/zinc/11/91/44/291119144.db2.gz QLZWGTRFMDQEGS-STQMWFEESA-N 2 2 276.384 0.904 20 0 CCADLP Cc1cccc(CCNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])n1 ZINC000561200033 291120953 /nfs/dbraw/zinc/12/09/53/291120953.db2.gz VEZGAKINOIEGSF-CQSZACIVSA-N 2 2 291.399 0.217 20 0 CCADLP Cc1cccc(CCNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])n1 ZINC000561200033 291120955 /nfs/dbraw/zinc/12/09/55/291120955.db2.gz VEZGAKINOIEGSF-CQSZACIVSA-N 2 2 291.399 0.217 20 0 CCADLP CO[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000451535628 236166240 /nfs/dbraw/zinc/16/62/40/236166240.db2.gz AXKOYZWAZQSBCF-STQMWFEESA-N 2 2 269.389 0.117 20 0 CCADLP CO[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000451535628 236166242 /nfs/dbraw/zinc/16/62/42/236166242.db2.gz AXKOYZWAZQSBCF-STQMWFEESA-N 2 2 269.389 0.117 20 0 CCADLP C[N@H+](CCCCNC(=O)N1CC[NH+](C)C[C@H]1C[NH3+])C1CC1 ZINC000561218324 291122407 /nfs/dbraw/zinc/12/24/07/291122407.db2.gz DQYFGYYLQIBESD-CQSZACIVSA-N 3 2 297.447 0.145 20 0 CCADLP C[N@@H+](CCCCNC(=O)N1CC[NH+](C)C[C@H]1C[NH3+])C1CC1 ZINC000561218324 291122408 /nfs/dbraw/zinc/12/24/08/291122408.db2.gz DQYFGYYLQIBESD-CQSZACIVSA-N 3 2 297.447 0.145 20 0 CCADLP C[NH+](CCCCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])C1CC1 ZINC000561218324 291122409 /nfs/dbraw/zinc/12/24/09/291122409.db2.gz DQYFGYYLQIBESD-CQSZACIVSA-N 3 2 297.447 0.145 20 0 CCADLP C[NH+](CCCCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])C1CC1 ZINC000561218324 291122410 /nfs/dbraw/zinc/12/24/10/291122410.db2.gz DQYFGYYLQIBESD-CQSZACIVSA-N 3 2 297.447 0.145 20 0 CCADLP Cc1nc(NC[C@H]2[NH2+]CCc3ccccc32)nc(N(C)C)[nH+]1 ZINC000561267825 291125306 /nfs/dbraw/zinc/12/53/06/291125306.db2.gz MFQDFSNDCDKBCG-CQSZACIVSA-N 2 2 298.394 0.967 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418501363 358157881 /nfs/dbraw/zinc/15/78/81/358157881.db2.gz RAADFRPPRFJQJY-DGCLKSJQSA-N 2 2 284.404 0.086 20 0 CCADLP C[C@H]1CC[N@H+](CC[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000561972414 291136082 /nfs/dbraw/zinc/13/60/82/291136082.db2.gz UDVDURDUIUGXNR-BZUNDVKYSA-N 2 2 294.399 0.439 20 0 CCADLP C[C@H]1CC[N@@H+](CC[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000561972414 291136086 /nfs/dbraw/zinc/13/60/86/291136086.db2.gz UDVDURDUIUGXNR-BZUNDVKYSA-N 2 2 294.399 0.439 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c(nnn3C)C2)C[N@@H+]1C1CC1 ZINC000655829263 412667043 /nfs/dbraw/zinc/66/70/43/412667043.db2.gz LFTVZQAWTOVQND-UTUOFQBUSA-N 2 2 275.400 0.887 20 0 CCADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c(nnn3C)C2)C[N@H+]1C1CC1 ZINC000655829263 412667046 /nfs/dbraw/zinc/66/70/46/412667046.db2.gz LFTVZQAWTOVQND-UTUOFQBUSA-N 2 2 275.400 0.887 20 0 CCADLP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420351822 358180439 /nfs/dbraw/zinc/18/04/39/358180439.db2.gz LBUFPGNMPKYKFI-MELADBBJSA-N 2 2 293.411 0.812 20 0 CCADLP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420351822 358180440 /nfs/dbraw/zinc/18/04/40/358180440.db2.gz LBUFPGNMPKYKFI-MELADBBJSA-N 2 2 293.411 0.812 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)N(C)CC(F)(F)F)C[C@@H]1C[NH3+] ZINC000420417286 358181243 /nfs/dbraw/zinc/18/12/43/358181243.db2.gz WGUNSNLPKLDMTK-ZJUUUORDSA-N 2 2 281.322 0.924 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)CC(F)(F)F)C[C@@H]1C[NH3+] ZINC000420417286 358181245 /nfs/dbraw/zinc/18/12/45/358181245.db2.gz WGUNSNLPKLDMTK-ZJUUUORDSA-N 2 2 281.322 0.924 20 0 CCADLP CC[NH+](CC)CCOCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423030654 358196449 /nfs/dbraw/zinc/19/64/49/358196449.db2.gz CEHBAVWOLUMIJQ-KBPBESRZSA-N 3 2 257.422 0.932 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000423549251 358202284 /nfs/dbraw/zinc/20/22/84/358202284.db2.gz NEWDMHPRFDQTNU-BPLDGKMQSA-N 2 2 295.427 0.744 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000423549251 358202287 /nfs/dbraw/zinc/20/22/87/358202287.db2.gz NEWDMHPRFDQTNU-BPLDGKMQSA-N 2 2 295.427 0.744 20 0 CCADLP C[N@@H+]1CC[C@@H]2OCCN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C1 ZINC000329188028 202223374 /nfs/dbraw/zinc/22/33/74/202223374.db2.gz PGESUUKBOWXEFP-RYUDHWBXSA-N 2 2 278.356 0.274 20 0 CCADLP C[N@H+]1CC[C@@H]2OCCN(C(=O)CCc3[nH]cc[nH+]3)[C@H]2C1 ZINC000329188028 202223376 /nfs/dbraw/zinc/22/33/76/202223376.db2.gz PGESUUKBOWXEFP-RYUDHWBXSA-N 2 2 278.356 0.274 20 0 CCADLP CN(CC(F)(F)F)C(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430560408 358227357 /nfs/dbraw/zinc/22/73/57/358227357.db2.gz WBHCQRQAPDWVJA-JTQLQIEISA-N 2 2 267.295 0.724 20 0 CCADLP Cc1cnccc1C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000530219806 358380883 /nfs/dbraw/zinc/38/08/83/358380883.db2.gz QWHGHCGBBBPORY-HNNXBMFYSA-N 2 2 288.395 0.786 20 0 CCADLP Cc1cnccc1C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000530219806 358380888 /nfs/dbraw/zinc/38/08/88/358380888.db2.gz QWHGHCGBBBPORY-HNNXBMFYSA-N 2 2 288.395 0.786 20 0 CCADLP C([NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)C12CC(C1)CO2 ZINC000530219947 358380908 /nfs/dbraw/zinc/38/09/08/358380908.db2.gz LPCMZCLEAPZORC-LJMKDGOPSA-N 2 2 252.358 0.522 20 0 CCADLP O=C(CCCC[NH+]1CCOCC1)N1CC(n2cc[nH+]c2)C1 ZINC000530475677 358402040 /nfs/dbraw/zinc/40/20/40/358402040.db2.gz JEQCQOKBELCWEW-UHFFFAOYSA-N 2 2 292.383 0.769 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000562454217 291153165 /nfs/dbraw/zinc/15/31/65/291153165.db2.gz FCJCAGXOHGNZKP-NEPJUHHUSA-N 2 2 273.340 0.847 20 0 CCADLP Cc1nc(N2CC[NH+](CC[C@H]3CCNC3=O)CC2)cc[nH+]1 ZINC000562478541 291154740 /nfs/dbraw/zinc/15/47/40/291154740.db2.gz KCEFZUSVDAXCNV-CYBMUJFWSA-N 2 2 289.383 0.433 20 0 CCADLP CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366478225 283379318 /nfs/dbraw/zinc/37/93/18/283379318.db2.gz DJGCELLGHKOMLI-TZMCWYRMSA-N 2 2 253.390 0.929 20 0 CCADLP CCCNC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366478225 283379321 /nfs/dbraw/zinc/37/93/21/283379321.db2.gz DJGCELLGHKOMLI-TZMCWYRMSA-N 2 2 253.390 0.929 20 0 CCADLP CCCNC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366478225 283379325 /nfs/dbraw/zinc/37/93/25/283379325.db2.gz DJGCELLGHKOMLI-TZMCWYRMSA-N 2 2 253.390 0.929 20 0 CCADLP CCCNC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366478225 283379329 /nfs/dbraw/zinc/37/93/29/283379329.db2.gz DJGCELLGHKOMLI-TZMCWYRMSA-N 2 2 253.390 0.929 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000567869448 358602594 /nfs/dbraw/zinc/60/25/94/358602594.db2.gz NABLOOSAJSUYFT-JSGCOSHPSA-N 2 2 296.415 0.243 20 0 CCADLP COC(=O)c1coc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1 ZINC000562499059 291155561 /nfs/dbraw/zinc/15/55/61/291155561.db2.gz VYDDNRTXTJMQKK-QMTHXVAHSA-N 2 2 282.340 0.783 20 0 CCADLP COC(=O)c1coc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000562499059 291155562 /nfs/dbraw/zinc/15/55/62/291155562.db2.gz VYDDNRTXTJMQKK-QMTHXVAHSA-N 2 2 282.340 0.783 20 0 CCADLP COCC[NH2+]CCNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000567897947 358609126 /nfs/dbraw/zinc/60/91/26/358609126.db2.gz TZOBQHRWJITZHD-UHFFFAOYSA-N 2 2 293.358 0.316 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)CC1 ZINC000567896111 358609204 /nfs/dbraw/zinc/60/92/04/358609204.db2.gz NTLPOYICQSEHHD-ZNMIVQPWSA-N 2 2 295.427 0.650 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H]3OCC[C@@H]3C2)CC1 ZINC000567896111 358609207 /nfs/dbraw/zinc/60/92/07/358609207.db2.gz NTLPOYICQSEHHD-ZNMIVQPWSA-N 2 2 295.427 0.650 20 0 CCADLP COC(=O)[C@H]1CC[C@H](C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CC1 ZINC000568086112 358631999 /nfs/dbraw/zinc/63/19/99/358631999.db2.gz AKFGOJAFMLESIJ-JHJVBQTASA-N 2 2 297.399 0.067 20 0 CCADLP COC(=O)[C@H]1CC[C@H](C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CC1 ZINC000568086112 358632004 /nfs/dbraw/zinc/63/20/04/358632004.db2.gz AKFGOJAFMLESIJ-JHJVBQTASA-N 2 2 297.399 0.067 20 0 CCADLP C[C@H](CC(=O)N[C@H]1C[NH2+]CCC1(F)F)n1cc[nH+]c1 ZINC000568151591 358636068 /nfs/dbraw/zinc/63/60/68/358636068.db2.gz FVUVQDXJUNKGLL-ZJUUUORDSA-N 2 2 272.299 0.948 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000568757433 358702345 /nfs/dbraw/zinc/70/23/45/358702345.db2.gz DGCZPMJSILEYEB-INIZCTEOSA-N 2 2 284.363 0.968 20 0 CCADLP CC(=O)N1CC([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000568238121 358655033 /nfs/dbraw/zinc/65/50/33/358655033.db2.gz NNBOHBMMBHFQQL-UHFFFAOYSA-N 2 2 274.368 0.871 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)[C@H](C[NH3+])C1 ZINC000568372736 358667538 /nfs/dbraw/zinc/66/75/38/358667538.db2.gz NAOAXXGREAQFIG-WISYIIOYSA-N 2 2 252.362 0.069 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)[C@H](C[NH3+])C1 ZINC000568372736 358667542 /nfs/dbraw/zinc/66/75/42/358667542.db2.gz NAOAXXGREAQFIG-WISYIIOYSA-N 2 2 252.362 0.069 20 0 CCADLP C[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)C1C[NH2+]C1 ZINC000568513211 358681569 /nfs/dbraw/zinc/68/15/69/358681569.db2.gz KSQQIXCUMCNYAR-ZYHUDNBSSA-N 2 2 296.392 0.419 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000568873211 358713059 /nfs/dbraw/zinc/71/30/59/358713059.db2.gz NRVHVOGERVWSER-NWANDNLSSA-N 3 2 269.433 0.904 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000568873211 358713063 /nfs/dbraw/zinc/71/30/63/358713063.db2.gz NRVHVOGERVWSER-NWANDNLSSA-N 3 2 269.433 0.904 20 0 CCADLP C[C@H](CC[NH3+])NC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000568982715 358721827 /nfs/dbraw/zinc/72/18/27/358721827.db2.gz MMZCQCGHOOWIAW-SECBINFHSA-N 2 2 263.332 0.817 20 0 CCADLP Cc1cncc(C[NH2+]C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000569111342 358735363 /nfs/dbraw/zinc/73/53/63/358735363.db2.gz REIAHQWUCWBTQB-DZKIICNBSA-N 2 2 293.411 0.950 20 0 CCADLP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000570081751 358819853 /nfs/dbraw/zinc/81/98/53/358819853.db2.gz KEQMTBAJMLMYGK-GUTXKFCHSA-N 3 2 296.415 0.251 20 0 CCADLP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000570081751 358819854 /nfs/dbraw/zinc/81/98/54/358819854.db2.gz KEQMTBAJMLMYGK-GUTXKFCHSA-N 3 2 296.415 0.251 20 0 CCADLP O=C(NCc1cn2ccccc2[nH+]1)NC[C@@H]1CCC[NH2+]1 ZINC000569576097 358774830 /nfs/dbraw/zinc/77/48/30/358774830.db2.gz LXUNXAZXYCLOEJ-NSHDSACASA-N 2 2 273.340 0.886 20 0 CCADLP Cc1ccc(OCC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1C ZINC000569602928 358778557 /nfs/dbraw/zinc/77/85/57/358778557.db2.gz RYUCOODWDUZLIF-CQSZACIVSA-N 2 2 291.395 0.784 20 0 CCADLP Cc1ccc(OCC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1C ZINC000569602928 358778562 /nfs/dbraw/zinc/77/85/62/358778562.db2.gz RYUCOODWDUZLIF-CQSZACIVSA-N 2 2 291.395 0.784 20 0 CCADLP C[N@@H+]1CCc2ncnc(NC[C@H]3CCC[C@@H]([NH3+])C3)c2C1 ZINC000569913170 358804142 /nfs/dbraw/zinc/80/41/42/358804142.db2.gz ZBYYASRPAZLXIZ-NWDGAFQWSA-N 2 2 275.400 0.816 20 0 CCADLP C[N@H+]1CCc2ncnc(NC[C@H]3CCC[C@@H]([NH3+])C3)c2C1 ZINC000569913170 358804145 /nfs/dbraw/zinc/80/41/45/358804145.db2.gz ZBYYASRPAZLXIZ-NWDGAFQWSA-N 2 2 275.400 0.816 20 0 CCADLP O[C@@H](C[NH2+]Cc1c[nH+]c2n1CCCC2)CN1CCOCC1 ZINC000570202857 358833204 /nfs/dbraw/zinc/83/32/04/358833204.db2.gz TUHMJMZJMPZSDD-AWEZNQCLSA-N 2 2 294.399 0.002 20 0 CCADLP C[NH2+]CCCN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000570281095 358841539 /nfs/dbraw/zinc/84/15/39/358841539.db2.gz UWFNKBUPVBVUFM-XYPWUTKMSA-N 3 2 280.460 0.839 20 0 CCADLP C[NH2+]CCCN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000570281095 358841547 /nfs/dbraw/zinc/84/15/47/358841547.db2.gz UWFNKBUPVBVUFM-XYPWUTKMSA-N 3 2 280.460 0.839 20 0 CCADLP CC[NH2+]CCCNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000570667057 358881546 /nfs/dbraw/zinc/88/15/46/358881546.db2.gz BOFQFUGZSMVNPE-ZDUSSCGKSA-N 2 2 286.420 0.348 20 0 CCADLP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+]2CCC[C@](C)(F)C2)C1=O ZINC000570786898 358893519 /nfs/dbraw/zinc/89/35/19/358893519.db2.gz LMVOAPRLSUUFGI-DOMZBBRYSA-N 2 2 299.390 0.890 20 0 CCADLP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+]2CCC[C@](C)(F)C2)C1=O ZINC000570786898 358893521 /nfs/dbraw/zinc/89/35/21/358893521.db2.gz LMVOAPRLSUUFGI-DOMZBBRYSA-N 2 2 299.390 0.890 20 0 CCADLP C[NH2+]CCCN(C)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000573488858 358971869 /nfs/dbraw/zinc/97/18/69/358971869.db2.gz URXWYRZQSXQABH-UHFFFAOYSA-N 2 2 273.340 0.949 20 0 CCADLP C[N@@H+]1CCN(C(=O)C2CC3(CCC3)C2)[C@@H](C[NH3+])C1 ZINC000571204922 358923072 /nfs/dbraw/zinc/92/30/72/358923072.db2.gz HYQHDSPWVFBVOG-LBPRGKRZSA-N 2 2 251.374 0.668 20 0 CCADLP C[N@H+]1CCN(C(=O)C2CC3(CCC3)C2)[C@@H](C[NH3+])C1 ZINC000571204922 358923075 /nfs/dbraw/zinc/92/30/75/358923075.db2.gz HYQHDSPWVFBVOG-LBPRGKRZSA-N 2 2 251.374 0.668 20 0 CCADLP CC(C)C[C@@H]1C[C@H]1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000572825427 358929689 /nfs/dbraw/zinc/92/96/89/358929689.db2.gz IENWPUUDIDNZSE-FRRDWIJNSA-N 2 2 268.405 0.705 20 0 CCADLP CC(C)C[C@@H]1C[C@H]1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000572825427 358929691 /nfs/dbraw/zinc/92/96/91/358929691.db2.gz IENWPUUDIDNZSE-FRRDWIJNSA-N 2 2 268.405 0.705 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000573263141 358952733 /nfs/dbraw/zinc/95/27/33/358952733.db2.gz FBGCVOSWMPEUJQ-XUXIUFHCSA-N 2 2 274.405 0.423 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000573263141 358952735 /nfs/dbraw/zinc/95/27/35/358952735.db2.gz FBGCVOSWMPEUJQ-XUXIUFHCSA-N 2 2 274.405 0.423 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000573263141 358952738 /nfs/dbraw/zinc/95/27/38/358952738.db2.gz FBGCVOSWMPEUJQ-XUXIUFHCSA-N 2 2 274.405 0.423 20 0 CCADLP CC[NH+](CC)CC[C@H](CO)[NH2+]C[C@](C)(O)C(F)(F)F ZINC000574158973 359033524 /nfs/dbraw/zinc/03/35/24/359033524.db2.gz XCGJEFWOPXRYDQ-MNOVXSKESA-N 2 2 286.338 0.982 20 0 CCADLP C[C@H](CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])[C@H]1CCC[NH2+]C1 ZINC000562805298 291168294 /nfs/dbraw/zinc/16/82/94/291168294.db2.gz GGMXMWGECFZQNU-HZSPNIEDSA-N 3 2 282.432 0.114 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH2+]C1(C(=O)N(C)C)CCCCC1 ZINC000575192910 359041865 /nfs/dbraw/zinc/04/18/65/359041865.db2.gz RDCBVBORDAHNNW-ZDUSSCGKSA-N 2 2 285.432 0.680 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+]C1(C(=O)N(C)C)CCCCC1 ZINC000575192910 359041867 /nfs/dbraw/zinc/04/18/67/359041867.db2.gz RDCBVBORDAHNNW-ZDUSSCGKSA-N 2 2 285.432 0.680 20 0 CCADLP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000573636681 358987197 /nfs/dbraw/zinc/98/71/97/358987197.db2.gz QRPUIDIMAOFBCK-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP CC[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000573636681 358987198 /nfs/dbraw/zinc/98/71/98/358987198.db2.gz QRPUIDIMAOFBCK-CHWSQXEVSA-N 2 2 276.384 0.998 20 0 CCADLP CC(C)[NH2+]CCCNC(=O)N(C)CC[NH+]1CCOCC1 ZINC000573701446 358992038 /nfs/dbraw/zinc/99/20/38/358992038.db2.gz SWHNCIMGTNQTTG-UHFFFAOYSA-N 2 2 286.420 0.348 20 0 CCADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000581020699 359122967 /nfs/dbraw/zinc/12/29/67/359122967.db2.gz MFRYJVKUZSTVPM-OCCSQVGLSA-N 2 2 254.374 0.960 20 0 CCADLP C[C@@H]1COCC[N@H+]1C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000581020699 359122971 /nfs/dbraw/zinc/12/29/71/359122971.db2.gz MFRYJVKUZSTVPM-OCCSQVGLSA-N 2 2 254.374 0.960 20 0 CCADLP COc1c(N)[nH+]cnc1N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000580963702 359115263 /nfs/dbraw/zinc/11/52/63/359115263.db2.gz WAOMHUBPQAKTNB-SNVBAGLBSA-N 2 2 265.361 0.845 20 0 CCADLP COc1c(N)nc[nH+]c1N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000580963702 359115269 /nfs/dbraw/zinc/11/52/69/359115269.db2.gz WAOMHUBPQAKTNB-SNVBAGLBSA-N 2 2 265.361 0.845 20 0 CCADLP COc1c(N)nc[nH+]c1N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000580963702 359115271 /nfs/dbraw/zinc/11/52/71/359115271.db2.gz WAOMHUBPQAKTNB-SNVBAGLBSA-N 2 2 265.361 0.845 20 0 CCADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)nn1 ZINC000584589773 359177055 /nfs/dbraw/zinc/17/70/55/359177055.db2.gz PPHQQAFBFMRCEV-PWSUYJOCSA-N 2 2 286.339 0.390 20 0 CCADLP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000586755306 359283532 /nfs/dbraw/zinc/28/35/32/359283532.db2.gz CSMZXUIBAJZVSJ-NSHDSACASA-N 2 2 298.350 0.629 20 0 CCADLP O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1ccc(-n2cc[nH+]c2)nn1 ZINC000586755306 359283535 /nfs/dbraw/zinc/28/35/35/359283535.db2.gz CSMZXUIBAJZVSJ-NSHDSACASA-N 2 2 298.350 0.629 20 0 CCADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000588692388 359332132 /nfs/dbraw/zinc/33/21/32/359332132.db2.gz WYHGCQIRHLXBIL-ZACQAIPSSA-N 3 2 289.423 0.631 20 0 CCADLP NC(=O)CC[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000562988582 291178759 /nfs/dbraw/zinc/17/87/59/291178759.db2.gz QCBONSKWNLIZBF-UHFFFAOYSA-N 2 2 277.368 0.484 20 0 CCADLP C[NH+](C)C/C=C\C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000492185378 237097758 /nfs/dbraw/zinc/09/77/58/237097758.db2.gz TWHFDEYLAODRGE-TXNVCOODSA-N 2 2 262.357 0.995 20 0 CCADLP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000591563329 359599631 /nfs/dbraw/zinc/59/96/31/359599631.db2.gz VEWIQUBPGCJAJT-GFCCVEGCSA-N 2 2 296.415 0.685 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])c2cscn2)C1 ZINC000563064437 291186766 /nfs/dbraw/zinc/18/67/66/291186766.db2.gz KYKBFRIQVKUQGF-ZYHUDNBSSA-N 2 2 282.413 0.989 20 0 CCADLP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])c2cscn2)C1 ZINC000563064437 291186767 /nfs/dbraw/zinc/18/67/67/291186767.db2.gz KYKBFRIQVKUQGF-ZYHUDNBSSA-N 2 2 282.413 0.989 20 0 CCADLP CCOC(=O)CC[C@@H](O)C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000591733978 359650109 /nfs/dbraw/zinc/65/01/09/359650109.db2.gz RTQWTMBBKIMDPH-NWDGAFQWSA-N 2 2 258.362 0.374 20 0 CCADLP CCOC(=O)CC[C@@H](O)C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000591733978 359650111 /nfs/dbraw/zinc/65/01/11/359650111.db2.gz RTQWTMBBKIMDPH-NWDGAFQWSA-N 2 2 258.362 0.374 20 0 CCADLP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000563093492 291191271 /nfs/dbraw/zinc/19/12/71/291191271.db2.gz SHCBSEFJAYBRTH-DCAQKATOSA-N 2 2 253.350 0.697 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000591884926 359675791 /nfs/dbraw/zinc/67/57/91/359675791.db2.gz LZAYWOJMBLNZTH-CYBMUJFWSA-N 2 2 280.372 0.188 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591915322 359691799 /nfs/dbraw/zinc/69/17/99/359691799.db2.gz BDCVDBUPUZYHAC-NEPJUHHUSA-N 2 2 250.346 0.997 20 0 CCADLP C[C@H](C(=O)N(C)C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591915322 359691804 /nfs/dbraw/zinc/69/18/04/359691804.db2.gz BDCVDBUPUZYHAC-NEPJUHHUSA-N 2 2 250.346 0.997 20 0 CCADLP CCOC(=O)[C@H](C)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592181031 359778423 /nfs/dbraw/zinc/77/84/23/359778423.db2.gz AGKPHFDNNKZCEY-LBPRGKRZSA-N 2 2 270.373 0.735 20 0 CCADLP CCOC(=O)[C@H](C)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592181031 359778427 /nfs/dbraw/zinc/77/84/27/359778427.db2.gz AGKPHFDNNKZCEY-LBPRGKRZSA-N 2 2 270.373 0.735 20 0 CCADLP CC[C@H](C)[C@@H](NC(=O)C[NH+]1CCC(C)([NH3+])CC1)C(=O)OC ZINC000592484981 359853193 /nfs/dbraw/zinc/85/31/93/359853193.db2.gz LTKFZFDNTDQMGI-WCQYABFASA-N 2 2 299.415 0.504 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)C[C@H]1C ZINC000592565933 359892751 /nfs/dbraw/zinc/89/27/51/359892751.db2.gz DEMWQIBUCCFAPJ-DGCLKSJQSA-N 2 2 297.399 0.080 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)C[C@H]1C ZINC000592565933 359892756 /nfs/dbraw/zinc/89/27/56/359892756.db2.gz DEMWQIBUCCFAPJ-DGCLKSJQSA-N 2 2 297.399 0.080 20 0 CCADLP COCC[N@@H+]1CCCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000329583558 202397653 /nfs/dbraw/zinc/39/76/53/202397653.db2.gz XOLSSWBTOLFRPL-UHFFFAOYSA-N 2 2 280.372 0.523 20 0 CCADLP COCC[N@H+]1CCCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000329583558 202397656 /nfs/dbraw/zinc/39/76/56/202397656.db2.gz XOLSSWBTOLFRPL-UHFFFAOYSA-N 2 2 280.372 0.523 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000621155327 366655794 /nfs/dbraw/zinc/65/57/94/366655794.db2.gz CXQNUWPAXQYFML-QWHCGFSZSA-N 2 2 269.389 0.164 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000621155327 366655799 /nfs/dbraw/zinc/65/57/99/366655799.db2.gz CXQNUWPAXQYFML-QWHCGFSZSA-N 2 2 269.389 0.164 20 0 CCADLP CC(C)[C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC[NH2+]1 ZINC000621151586 366653269 /nfs/dbraw/zinc/65/32/69/366653269.db2.gz DNDFTBYPINIOTO-STQMWFEESA-N 2 2 276.384 0.902 20 0 CCADLP C[C@@H](O)CNc1cc(NC[C@H](C)[NH+](C)C)nc[nH+]1 ZINC000298229793 200366879 /nfs/dbraw/zinc/36/68/79/200366879.db2.gz KUALVLGGNMAKAF-VHSXEESVSA-N 2 2 253.350 0.631 20 0 CCADLP C[C@@H](O)CNc1cc(N2CC[C@@H]([NH+](C)C)C2)nc[nH+]1 ZINC000298247284 200371473 /nfs/dbraw/zinc/37/14/73/200371473.db2.gz MOQGYFAYJVVLCC-GHMZBOCLSA-N 2 2 265.361 0.410 20 0 CCADLP C[NH+](C)CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000574086197 334991202 /nfs/dbraw/zinc/99/12/02/334991202.db2.gz BCLYGBTUWKULHK-NSHDSACASA-N 2 2 250.346 0.513 20 0 CCADLP Cc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)c(C)[nH+]1 ZINC000176607110 189001405 /nfs/dbraw/zinc/00/14/05/189001405.db2.gz UVDDHZFZKDLXPM-GFCCVEGCSA-N 2 2 290.367 0.799 20 0 CCADLP COC(=O)c1[nH]c(C)cc1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000593903784 360202273 /nfs/dbraw/zinc/20/22/73/360202273.db2.gz NSHAKFVIMBSVIX-VIFPVBQESA-N 2 2 282.344 0.327 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCOC[C@H]1C1CCC1 ZINC000563364756 291218047 /nfs/dbraw/zinc/21/80/47/291218047.db2.gz KLJJQWUYVLJREF-KGLIPLIRSA-N 2 2 256.390 0.800 20 0 CCADLP COC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)C1CCCCC1 ZINC000593905382 360202516 /nfs/dbraw/zinc/20/25/16/360202516.db2.gz DRIFBLFCFKTJPO-STQMWFEESA-N 2 2 299.415 0.504 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCOC[C@H]1C1CCC1 ZINC000563364756 291218050 /nfs/dbraw/zinc/21/80/50/291218050.db2.gz KLJJQWUYVLJREF-KGLIPLIRSA-N 2 2 256.390 0.800 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000563364756 291218052 /nfs/dbraw/zinc/21/80/52/291218052.db2.gz KLJJQWUYVLJREF-KGLIPLIRSA-N 2 2 256.390 0.800 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000563364756 291218053 /nfs/dbraw/zinc/21/80/53/291218053.db2.gz KLJJQWUYVLJREF-KGLIPLIRSA-N 2 2 256.390 0.800 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCn2cccn2)CC1 ZINC000177143306 189031997 /nfs/dbraw/zinc/03/19/97/189031997.db2.gz LCRZMTULVANQNI-UHFFFAOYSA-N 2 2 293.415 0.415 20 0 CCADLP COC(=O)c1cc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c(C)o1 ZINC000594611574 360340118 /nfs/dbraw/zinc/34/01/18/360340118.db2.gz GYLYLYRMGWIJIM-ZDUSSCGKSA-N 2 2 296.367 0.921 20 0 CCADLP CS[C@H](CO)[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000594494557 360323835 /nfs/dbraw/zinc/32/38/35/360323835.db2.gz COWHKCUZHIZZDJ-FPMFFAJLSA-N 2 2 288.457 0.942 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3cnc4ccccn34)CCN2C1=O ZINC000594736386 360369859 /nfs/dbraw/zinc/36/98/59/360369859.db2.gz FPVLIZLWOHZHHF-DGCLKSJQSA-N 2 2 285.351 0.078 20 0 CCADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3cnc4ccccn34)CCN2C1=O ZINC000594736386 360369865 /nfs/dbraw/zinc/36/98/65/360369865.db2.gz FPVLIZLWOHZHHF-DGCLKSJQSA-N 2 2 285.351 0.078 20 0 CCADLP CC(C)n1cc[nH+]c1CN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000594874955 360405175 /nfs/dbraw/zinc/40/51/75/360405175.db2.gz AMHAFQATCDRXDY-RYUDHWBXSA-N 2 2 277.372 0.208 20 0 CCADLP CCSC1(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000595273679 360472123 /nfs/dbraw/zinc/47/21/23/360472123.db2.gz PIKKDDBYTJSSGA-NSHDSACASA-N 2 2 286.445 0.556 20 0 CCADLP CCSC1(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CC1 ZINC000595273679 360472126 /nfs/dbraw/zinc/47/21/26/360472126.db2.gz PIKKDDBYTJSSGA-NSHDSACASA-N 2 2 286.445 0.556 20 0 CCADLP COC(=O)C[N@H+](CCc1c[nH+]cn1C)C1CCOCC1 ZINC000595662272 360611443 /nfs/dbraw/zinc/61/14/43/360611443.db2.gz HAGGUPRHRPIATL-UHFFFAOYSA-N 2 2 281.356 0.617 20 0 CCADLP COC(=O)C[N@@H+](CCc1c[nH+]cn1C)C1CCOCC1 ZINC000595662272 360611449 /nfs/dbraw/zinc/61/14/49/360611449.db2.gz HAGGUPRHRPIATL-UHFFFAOYSA-N 2 2 281.356 0.617 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)[NH3+] ZINC000595903297 360698660 /nfs/dbraw/zinc/69/86/60/360698660.db2.gz UWEGQYBPJSQIJP-SECBINFHSA-N 2 2 258.366 0.278 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)[NH3+] ZINC000595903297 360698663 /nfs/dbraw/zinc/69/86/63/360698663.db2.gz UWEGQYBPJSQIJP-SECBINFHSA-N 2 2 258.366 0.278 20 0 CCADLP COC[C@@]1(C(=O)OC)CCC[N@@H+]1C[C@@H]1CC[NH2+]C1 ZINC000595904670 360699429 /nfs/dbraw/zinc/69/94/29/360699429.db2.gz KJPKZKGDPPRPCY-DGCLKSJQSA-N 2 2 256.346 0.250 20 0 CCADLP COC[C@@]1(C(=O)OC)CCC[N@H+]1C[C@@H]1CC[NH2+]C1 ZINC000595904670 360699431 /nfs/dbraw/zinc/69/94/31/360699431.db2.gz KJPKZKGDPPRPCY-DGCLKSJQSA-N 2 2 256.346 0.250 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000178695144 189138235 /nfs/dbraw/zinc/13/82/35/189138235.db2.gz BZUIXKROACYEAJ-JTQLQIEISA-N 2 2 259.313 0.734 20 0 CCADLP C[C@H]1CC[N@H+](CCCS(N)(=O)=O)C[C@@H]1n1cc[nH+]c1 ZINC000179295220 189183509 /nfs/dbraw/zinc/18/35/09/189183509.db2.gz YCYNYPLEXOHDJO-RYUDHWBXSA-N 2 2 286.401 0.445 20 0 CCADLP C[C@H]1CC[N@@H+](CCCS(N)(=O)=O)C[C@@H]1n1cc[nH+]c1 ZINC000179295220 189183510 /nfs/dbraw/zinc/18/35/10/189183510.db2.gz YCYNYPLEXOHDJO-RYUDHWBXSA-N 2 2 286.401 0.445 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)S(C)(=O)=O ZINC000563691343 291246779 /nfs/dbraw/zinc/24/67/79/291246779.db2.gz DCUADLYVHGYBKS-FDYHWXHSSA-N 2 2 274.430 0.882 20 0 CCADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)S(C)(=O)=O ZINC000563691343 291246781 /nfs/dbraw/zinc/24/67/81/291246781.db2.gz DCUADLYVHGYBKS-FDYHWXHSSA-N 2 2 274.430 0.882 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCN1CCO[C@H](C)C1 ZINC000420278690 296027638 /nfs/dbraw/zinc/02/76/38/296027638.db2.gz WCIOKFZOZJMMDU-MGPQQGTHSA-N 2 2 255.406 0.909 20 0 CCADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCN1CCO[C@H](C)C1 ZINC000420278690 296027639 /nfs/dbraw/zinc/02/76/39/296027639.db2.gz WCIOKFZOZJMMDU-MGPQQGTHSA-N 2 2 255.406 0.909 20 0 CCADLP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](C)S(C)(=O)=O)C1 ZINC000563806526 291251131 /nfs/dbraw/zinc/25/11/31/291251131.db2.gz ZEKHQPKXHGEZDK-QWHCGFSZSA-N 2 2 276.446 0.987 20 0 CCADLP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](C)S(C)(=O)=O)C1 ZINC000563806526 291251132 /nfs/dbraw/zinc/25/11/32/291251132.db2.gz ZEKHQPKXHGEZDK-QWHCGFSZSA-N 2 2 276.446 0.987 20 0 CCADLP C[C@H]1CC[N@H+](CCNC(=O)C[NH+]2CC(C)(C)C2)C1 ZINC000563821715 291253129 /nfs/dbraw/zinc/25/31/29/291253129.db2.gz BCRINQXLIAGYIV-LBPRGKRZSA-N 2 2 253.390 0.786 20 0 CCADLP C[C@H]1CC[N@@H+](CCNC(=O)C[NH+]2CC(C)(C)C2)C1 ZINC000563821715 291253130 /nfs/dbraw/zinc/25/31/30/291253130.db2.gz BCRINQXLIAGYIV-LBPRGKRZSA-N 2 2 253.390 0.786 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]C2CCSCC2)C[C@H](C)O1 ZINC000563881027 291255592 /nfs/dbraw/zinc/25/55/92/291255592.db2.gz ASOFPHSXUHUZON-SCRDCRAPSA-N 2 2 288.457 0.942 20 0 CCADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]C2CCSCC2)C[C@H](C)O1 ZINC000563881027 291255595 /nfs/dbraw/zinc/25/55/95/291255595.db2.gz ASOFPHSXUHUZON-SCRDCRAPSA-N 2 2 288.457 0.942 20 0 CCADLP COc1c(N)[nH+]cnc1NCC[NH+]1CCCCCC1 ZINC000563976831 291262364 /nfs/dbraw/zinc/26/23/64/291262364.db2.gz VIHQTIAYBRRWJE-UHFFFAOYSA-N 2 2 265.361 0.777 20 0 CCADLP C[C@@H](NC(=O)[C@H](C)[N@H+](C)C[C@H](O)C[NH3+])c1ccccc1 ZINC000631827909 370694146 /nfs/dbraw/zinc/69/41/46/370694146.db2.gz YZSLLFFVRKGMFL-MBNYWOFBSA-N 2 2 279.384 0.504 20 0 CCADLP C[C@@H](NC(=O)[C@H](C)[N@@H+](C)C[C@H](O)C[NH3+])c1ccccc1 ZINC000631827909 370694151 /nfs/dbraw/zinc/69/41/51/370694151.db2.gz YZSLLFFVRKGMFL-MBNYWOFBSA-N 2 2 279.384 0.504 20 0 CCADLP C[C@H]1CC[N@H+](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000611750010 363775268 /nfs/dbraw/zinc/77/52/68/363775268.db2.gz MMHQFUMJXMEVDO-YNEHKIRRSA-N 2 2 276.384 0.982 20 0 CCADLP C[C@H]1CC[N@@H+](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000611750010 363775276 /nfs/dbraw/zinc/77/52/76/363775276.db2.gz MMHQFUMJXMEVDO-YNEHKIRRSA-N 2 2 276.384 0.982 20 0 CCADLP Cc1ccc(COCC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000621624409 366811200 /nfs/dbraw/zinc/81/12/00/366811200.db2.gz IARUVPHPTFBXKS-HNNXBMFYSA-N 2 2 291.395 0.613 20 0 CCADLP Cc1ccc(COCC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000621624409 366811207 /nfs/dbraw/zinc/81/12/07/366811207.db2.gz IARUVPHPTFBXKS-HNNXBMFYSA-N 2 2 291.395 0.613 20 0 CCADLP CC[NH2+]CCCNC(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000564345930 291276456 /nfs/dbraw/zinc/27/64/56/291276456.db2.gz FFWUAQKOQMJAIG-UHFFFAOYSA-N 2 2 289.339 0.389 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]Cc2cccn2C)C[C@H](C)O1 ZINC000564444948 291279371 /nfs/dbraw/zinc/27/93/71/291279371.db2.gz VYMMYXBSDVNWPA-VNHYZAJKSA-N 2 2 281.400 0.585 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]Cc2cccn2C)C[C@H](C)O1 ZINC000564444948 291279374 /nfs/dbraw/zinc/27/93/74/291279374.db2.gz VYMMYXBSDVNWPA-VNHYZAJKSA-N 2 2 281.400 0.585 20 0 CCADLP CCOC(=O)C[C@@H](O)C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000599316185 361649549 /nfs/dbraw/zinc/64/95/49/361649549.db2.gz MEMWCCJMPAWHCL-CHWSQXEVSA-N 2 2 272.389 0.574 20 0 CCADLP CCOC(=O)C[C@@H](O)C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000599316185 361649551 /nfs/dbraw/zinc/64/95/51/361649551.db2.gz MEMWCCJMPAWHCL-CHWSQXEVSA-N 2 2 272.389 0.574 20 0 CCADLP CCOC(=O)C[C@@H](O)C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000599316185 361649553 /nfs/dbraw/zinc/64/95/53/361649553.db2.gz MEMWCCJMPAWHCL-CHWSQXEVSA-N 2 2 272.389 0.574 20 0 CCADLP CCOC(=O)C[C@@H](O)C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000599316185 361649555 /nfs/dbraw/zinc/64/95/55/361649555.db2.gz MEMWCCJMPAWHCL-CHWSQXEVSA-N 2 2 272.389 0.574 20 0 CCADLP C[C@@H](O)C[N@H+](C)C1CC[NH+](C[C@H]2CN(C)C(=O)O2)CC1 ZINC000495656200 239188500 /nfs/dbraw/zinc/18/85/00/239188500.db2.gz YBAFSSZDERMJDK-DGCLKSJQSA-N 2 2 285.388 0.214 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+](C[C@H]2CN(C)C(=O)O2)CC1 ZINC000495656200 239188513 /nfs/dbraw/zinc/18/85/13/239188513.db2.gz YBAFSSZDERMJDK-DGCLKSJQSA-N 2 2 285.388 0.214 20 0 CCADLP COC(=O)CC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000599474523 361713023 /nfs/dbraw/zinc/71/30/23/361713023.db2.gz UEEHTDKRNBXYMM-UHFFFAOYSA-N 2 2 256.346 0.346 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000611892303 363802762 /nfs/dbraw/zinc/80/27/62/363802762.db2.gz PNFFZTVLZLOWND-GHMZBOCLSA-N 2 2 262.357 0.734 20 0 CCADLP CC(=O)[C@@H](NC(=O)C[NH2+][C@@](C)(C[NH3+])C1CC1)C(C)C ZINC000564656948 291291891 /nfs/dbraw/zinc/29/18/91/291291891.db2.gz OVJMPYHXUICWCX-KBPBESRZSA-N 2 2 269.389 0.433 20 0 CCADLP C[C@H]1OCC[C@H]1C[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000631829232 370696620 /nfs/dbraw/zinc/69/66/20/370696620.db2.gz LKJIVHKOXVMWGE-UVLXDEKHSA-N 2 2 264.373 0.572 20 0 CCADLP C[C@H]1OCC[C@H]1C[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000631829232 370696623 /nfs/dbraw/zinc/69/66/23/370696623.db2.gz LKJIVHKOXVMWGE-UVLXDEKHSA-N 2 2 264.373 0.572 20 0 CCADLP C[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C(C)(C)C ZINC000564726521 291295897 /nfs/dbraw/zinc/29/58/97/291295897.db2.gz OYIHRGUWDNMXAB-UHFFFAOYSA-N 2 2 285.432 0.944 20 0 CCADLP C[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C(C)(C)C ZINC000564726521 291295899 /nfs/dbraw/zinc/29/58/99/291295899.db2.gz OYIHRGUWDNMXAB-UHFFFAOYSA-N 2 2 285.432 0.944 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612868555 364026531 /nfs/dbraw/zinc/02/65/31/364026531.db2.gz YHPGVGZWQRNQDP-CQSZACIVSA-N 2 2 277.372 0.699 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612970268 364058767 /nfs/dbraw/zinc/05/87/67/364058767.db2.gz LHMSBFPSWPOZJO-CHWSQXEVSA-N 2 2 296.415 0.148 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612970268 364058773 /nfs/dbraw/zinc/05/87/73/364058773.db2.gz LHMSBFPSWPOZJO-CHWSQXEVSA-N 2 2 296.415 0.148 20 0 CCADLP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC([NH2+]CCO)CC1 ZINC000631863845 370724593 /nfs/dbraw/zinc/72/45/93/370724593.db2.gz GNHVULIDCNDRKP-STQMWFEESA-N 2 2 285.432 0.726 20 0 CCADLP CCC1([NH+](C)C)CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000631865146 370724885 /nfs/dbraw/zinc/72/48/85/370724885.db2.gz AQYBBPJOWISYNV-UHFFFAOYSA-N 3 2 268.449 0.698 20 0 CCADLP C[C@H]1CN(C(=O)C[NH2+][C@]23CCC[C@@H]2C[NH2+]C3)C[C@H](C)O1 ZINC000631870537 370729722 /nfs/dbraw/zinc/72/97/22/370729722.db2.gz QPRZAYHHWAKOLE-XPCVCDNBSA-N 2 2 281.400 0.354 20 0 CCADLP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)NC[C@H]1CCCO1 ZINC000631889545 370739683 /nfs/dbraw/zinc/73/96/83/370739683.db2.gz GZSXYTBEPOCCMS-MCIONIFRSA-N 2 2 281.400 0.356 20 0 CCADLP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)NC[C@H]1CCCO1 ZINC000631889545 370739688 /nfs/dbraw/zinc/73/96/88/370739688.db2.gz GZSXYTBEPOCCMS-MCIONIFRSA-N 2 2 281.400 0.356 20 0 CCADLP C[NH+](C)CCOCCNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000613286494 364199937 /nfs/dbraw/zinc/19/99/37/364199937.db2.gz YKVGDVIQKASEBT-NSHDSACASA-N 2 2 280.372 0.209 20 0 CCADLP C[NH+](C)CCOCCNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000613286494 364199941 /nfs/dbraw/zinc/19/99/41/364199941.db2.gz YKVGDVIQKASEBT-NSHDSACASA-N 2 2 280.372 0.209 20 0 CCADLP C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCc3[nH+]c[nH]c3C1)C2 ZINC000614035593 364468616 /nfs/dbraw/zinc/46/86/16/364468616.db2.gz VARZCBDDXJKQFA-LLVKDONJSA-N 2 2 274.368 0.679 20 0 CCADLP C[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCc3[nH]c[nH+]c3C1)C2 ZINC000614035593 364468622 /nfs/dbraw/zinc/46/86/22/364468622.db2.gz VARZCBDDXJKQFA-LLVKDONJSA-N 2 2 274.368 0.679 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)C1([NH+](C)C)CC1 ZINC000614179552 364521889 /nfs/dbraw/zinc/52/18/89/364521889.db2.gz RBGGSUFLKXYRLD-LBPRGKRZSA-N 2 2 269.389 0.260 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621780937 366864643 /nfs/dbraw/zinc/86/46/43/366864643.db2.gz XLJQKKNHPNDBSJ-YDHLFZDLSA-N 2 2 283.416 0.731 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621780937 366864648 /nfs/dbraw/zinc/86/46/48/366864648.db2.gz XLJQKKNHPNDBSJ-YDHLFZDLSA-N 2 2 283.416 0.731 20 0 CCADLP O=C(Nc1ccn2cc[nH+]c2c1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000614277012 364559146 /nfs/dbraw/zinc/55/91/46/364559146.db2.gz ZSMNDLJEQQDZNZ-ZDUSSCGKSA-N 2 2 285.351 0.663 20 0 CCADLP O=C(Nc1ccn2cc[nH+]c2c1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000614277012 364559149 /nfs/dbraw/zinc/55/91/49/364559149.db2.gz ZSMNDLJEQQDZNZ-ZDUSSCGKSA-N 2 2 285.351 0.663 20 0 CCADLP Cn1cc[nH+]c1CC1CCN(C(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000335657160 212374997 /nfs/dbraw/zinc/37/49/97/212374997.db2.gz MIZGVGCTSMBMSQ-LBPRGKRZSA-N 2 2 294.424 0.864 20 0 CCADLP Cc1ccn2cc(CNC(=O)N3CC[C@@H]([NH3+])C3)[nH+]c2c1 ZINC000335636229 212352001 /nfs/dbraw/zinc/35/20/01/212352001.db2.gz ZJPWQOLXFGWVAM-LLVKDONJSA-N 2 2 273.340 0.885 20 0 CCADLP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000615302170 364912426 /nfs/dbraw/zinc/91/24/26/364912426.db2.gz BUFRFWCMFIRQIP-GHMZBOCLSA-N 2 2 250.346 0.893 20 0 CCADLP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@H](c1c[nH+]cn1C)N(C)C ZINC000615305020 364914661 /nfs/dbraw/zinc/91/46/61/364914661.db2.gz QLKQLRZFBBWWFB-MBNYWOFBSA-N 2 2 293.415 0.574 20 0 CCADLP [NH3+][C@H]1C[C@@H](C(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000565039835 291339358 /nfs/dbraw/zinc/33/93/58/291339358.db2.gz DAWHGGSBQHJTPK-BETUJISGSA-N 2 2 274.368 0.463 20 0 CCADLP CCOC(=O)N1CCC[N@H+](C[C@@H](O)C[NH+](C)CC)CC1 ZINC000496748052 240387782 /nfs/dbraw/zinc/38/77/82/240387782.db2.gz JBJFJGMBIHSRBE-ZDUSSCGKSA-N 2 2 287.404 0.463 20 0 CCADLP CCOC(=O)N1CCC[N@@H+](C[C@@H](O)C[NH+](C)CC)CC1 ZINC000496748052 240387793 /nfs/dbraw/zinc/38/77/93/240387793.db2.gz JBJFJGMBIHSRBE-ZDUSSCGKSA-N 2 2 287.404 0.463 20 0 CCADLP CCOC(=O)N1CCC[NH+](C[C@@H](O)C[N@H+](C)CC)CC1 ZINC000496748052 240387806 /nfs/dbraw/zinc/38/78/06/240387806.db2.gz JBJFJGMBIHSRBE-ZDUSSCGKSA-N 2 2 287.404 0.463 20 0 CCADLP CCOC(=O)N1CCC[NH+](C[C@@H](O)C[N@@H+](C)CC)CC1 ZINC000496748052 240387819 /nfs/dbraw/zinc/38/78/19/240387819.db2.gz JBJFJGMBIHSRBE-ZDUSSCGKSA-N 2 2 287.404 0.463 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000615607676 365020183 /nfs/dbraw/zinc/02/01/83/365020183.db2.gz ZRAIYBWJJWJZCA-HNNXBMFYSA-N 2 2 276.384 0.907 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000615607676 365020188 /nfs/dbraw/zinc/02/01/88/365020188.db2.gz ZRAIYBWJJWJZCA-HNNXBMFYSA-N 2 2 276.384 0.907 20 0 CCADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000565086339 291344100 /nfs/dbraw/zinc/34/41/00/291344100.db2.gz NANNBSUJGYFHNI-AWEZNQCLSA-N 2 2 297.424 0.946 20 0 CCADLP COc1cc[nH+]c(CN2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000275494241 193057327 /nfs/dbraw/zinc/05/73/27/193057327.db2.gz SZHFLNXIHALKHU-GFCCVEGCSA-N 2 2 265.357 0.589 20 0 CCADLP C[C@@H](CC(=O)NC[C@@H]1CCC[NH2+]C1)n1cc[nH+]c1 ZINC000565146778 291346756 /nfs/dbraw/zinc/34/67/56/291346756.db2.gz FMLBZIASRFJLMK-NWDGAFQWSA-N 2 2 250.346 0.950 20 0 CCADLP C[NH+](C)[C@H](CNC(=O)N1CC[NH+](C)CC1)c1ccco1 ZINC000275481873 193054522 /nfs/dbraw/zinc/05/45/22/193054522.db2.gz QRQALILBWWCQFE-GFCCVEGCSA-N 2 2 280.372 0.839 20 0 CCADLP CNC(=O)N[C@@H]1CC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000565163174 291350007 /nfs/dbraw/zinc/35/00/07/291350007.db2.gz KJSDRCBLFPXRLY-LLVKDONJSA-N 2 2 265.361 0.356 20 0 CCADLP CNC(=O)N[C@@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000565163174 291350008 /nfs/dbraw/zinc/35/00/08/291350008.db2.gz KJSDRCBLFPXRLY-LLVKDONJSA-N 2 2 265.361 0.356 20 0 CCADLP Cn1c[nH+]cc1CCC[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000565157070 291348259 /nfs/dbraw/zinc/34/82/59/291348259.db2.gz LKJNVVDIKZIKAJ-ZDUSSCGKSA-N 2 2 262.357 0.659 20 0 CCADLP Cn1c[nH+]cc1CCC[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000565157070 291348260 /nfs/dbraw/zinc/34/82/60/291348260.db2.gz LKJNVVDIKZIKAJ-ZDUSSCGKSA-N 2 2 262.357 0.659 20 0 CCADLP Cn1cc[nH+]c1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C(C)(C)CO ZINC000616868593 365466309 /nfs/dbraw/zinc/46/63/09/365466309.db2.gz QRIHQHDTEYJBAW-NEPJUHHUSA-N 2 2 294.399 0.690 20 0 CCADLP Cn1cc[nH+]c1[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C(C)(C)CO ZINC000616868593 365466315 /nfs/dbraw/zinc/46/63/15/365466315.db2.gz QRIHQHDTEYJBAW-NEPJUHHUSA-N 2 2 294.399 0.690 20 0 CCADLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000616925896 365471006 /nfs/dbraw/zinc/47/10/06/365471006.db2.gz UZZCVGNBOPGRLB-LLVKDONJSA-N 2 2 252.318 0.089 20 0 CCADLP CC[N@H+]1CCO[C@@H](C(=O)N(C)Cc2c[nH+]c[nH]2)C1 ZINC000616925896 365471011 /nfs/dbraw/zinc/47/10/11/365471011.db2.gz UZZCVGNBOPGRLB-LLVKDONJSA-N 2 2 252.318 0.089 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2cnn(C)c2)C1 ZINC000565309230 291371804 /nfs/dbraw/zinc/37/18/04/291371804.db2.gz ZYVQTOBIPFTCHT-ZDUSSCGKSA-N 2 2 293.415 0.310 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+](CC(=O)N(C)Cc2cnn(C)c2)C1 ZINC000565309230 291371806 /nfs/dbraw/zinc/37/18/06/291371806.db2.gz ZYVQTOBIPFTCHT-ZDUSSCGKSA-N 2 2 293.415 0.310 20 0 CCADLP CC[N@H+]1C[C@H](Nc2nc[nH+]c(N)c2OC)[C@@H](C)C1 ZINC000656144471 412750781 /nfs/dbraw/zinc/75/07/81/412750781.db2.gz CRUYKRCRWMVJRW-IUCAKERBSA-N 2 2 251.334 0.820 20 0 CCADLP CC[N@@H+]1C[C@H](Nc2nc[nH+]c(N)c2OC)[C@@H](C)C1 ZINC000656144471 412750785 /nfs/dbraw/zinc/75/07/85/412750785.db2.gz CRUYKRCRWMVJRW-IUCAKERBSA-N 2 2 251.334 0.820 20 0 CCADLP CC(C)[C@H](C(=O)NCCc1cn(C)c[nH+]1)[NH+](C)C ZINC000622685883 367296004 /nfs/dbraw/zinc/29/60/04/367296004.db2.gz OLIXLQNQEOQZIU-GFCCVEGCSA-N 2 2 252.362 0.665 20 0 CCADLP C[NH+]1CCC([NH+]2CCC(Nc3cnccn3)CC2)CC1 ZINC000622814406 367370334 /nfs/dbraw/zinc/37/03/34/367370334.db2.gz RUDZSOQOAAZEND-UHFFFAOYSA-N 2 2 275.400 0.869 20 0 CCADLP O=C(NCCC[NH2+]C1CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000623180018 367467382 /nfs/dbraw/zinc/46/73/82/367467382.db2.gz OHHWQOPYAQIJAP-NSHDSACASA-N 2 2 262.357 0.704 20 0 CCADLP CN(CCC[NH2+]Cc1c[nH+]c(N(C)C)n1C)CC[NH+](C)C ZINC000623088036 367446528 /nfs/dbraw/zinc/44/65/28/367446528.db2.gz TWZYNAMJTMGKHL-UHFFFAOYSA-N 3 2 296.463 0.459 20 0 CCADLP C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000623175675 367462886 /nfs/dbraw/zinc/46/28/86/367462886.db2.gz GTJYBAWVNBUSQP-NEPJUHHUSA-N 2 2 262.357 0.656 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[NH+](C)CC1)CC2 ZINC000623344297 367542511 /nfs/dbraw/zinc/54/25/11/367542511.db2.gz FONJMLYJSCYITO-GFCCVEGCSA-N 2 2 262.357 0.528 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cnn2c1CCC2 ZINC000623620197 367608492 /nfs/dbraw/zinc/60/84/92/367608492.db2.gz JMEMITRECDMBKU-AWEZNQCLSA-N 2 2 291.399 0.259 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cnn2c1CCC2 ZINC000623620197 367608498 /nfs/dbraw/zinc/60/84/98/367608498.db2.gz JMEMITRECDMBKU-AWEZNQCLSA-N 2 2 291.399 0.259 20 0 CCADLP C[N@H+](CCNC(=O)NC[C@@H]1COCC[NH+]1C)C1CCCC1 ZINC000623576533 367595588 /nfs/dbraw/zinc/59/55/88/367595588.db2.gz BDAZCTKKHUCNGK-CQSZACIVSA-N 2 2 298.431 0.491 20 0 CCADLP C[N@@H+](CCNC(=O)NC[C@@H]1COCC[NH+]1C)C1CCCC1 ZINC000623576533 367595591 /nfs/dbraw/zinc/59/55/91/367595591.db2.gz BDAZCTKKHUCNGK-CQSZACIVSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+](CCNC(=O)NC[C@@H]1COCC[N@@H+]1C)C1CCCC1 ZINC000623576533 367595598 /nfs/dbraw/zinc/59/55/98/367595598.db2.gz BDAZCTKKHUCNGK-CQSZACIVSA-N 2 2 298.431 0.491 20 0 CCADLP C[NH+](CCNC(=O)NC[C@@H]1COCC[N@H+]1C)C1CCCC1 ZINC000623576533 367595600 /nfs/dbraw/zinc/59/56/00/367595600.db2.gz BDAZCTKKHUCNGK-CQSZACIVSA-N 2 2 298.431 0.491 20 0 CCADLP COc1c(N)[nH+]cnc1NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000656179016 412758040 /nfs/dbraw/zinc/75/80/40/412758040.db2.gz ZDKSYVDOKQBXIZ-NSHDSACASA-N 2 2 295.387 0.980 20 0 CCADLP COc1c(N)[nH+]cnc1NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000656179016 412758045 /nfs/dbraw/zinc/75/80/45/412758045.db2.gz ZDKSYVDOKQBXIZ-NSHDSACASA-N 2 2 295.387 0.980 20 0 CCADLP COc1c(N)nc[nH+]c1NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000656179016 412758049 /nfs/dbraw/zinc/75/80/49/412758049.db2.gz ZDKSYVDOKQBXIZ-NSHDSACASA-N 2 2 295.387 0.980 20 0 CCADLP COc1c(N)nc[nH+]c1NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000656179016 412758055 /nfs/dbraw/zinc/75/80/55/412758055.db2.gz ZDKSYVDOKQBXIZ-NSHDSACASA-N 2 2 295.387 0.980 20 0 CCADLP C[C@H](CNC(=O)NC[C@H]1COCC[N@@H+]1C)C[NH+]1CCCC1 ZINC000623713006 367628156 /nfs/dbraw/zinc/62/81/56/367628156.db2.gz QIPBSTRZVMPTKT-KGLIPLIRSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@H](CNC(=O)NC[C@H]1COCC[N@H+]1C)C[NH+]1CCCC1 ZINC000623713006 367628164 /nfs/dbraw/zinc/62/81/64/367628164.db2.gz QIPBSTRZVMPTKT-KGLIPLIRSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@@H](CNC(=O)NC[C@H]1COCC[N@@H+]1C)C[NH+]1CCCC1 ZINC000623713005 367628641 /nfs/dbraw/zinc/62/86/41/367628641.db2.gz QIPBSTRZVMPTKT-KBPBESRZSA-N 2 2 298.431 0.348 20 0 CCADLP C[C@@H](CNC(=O)NC[C@H]1COCC[N@H+]1C)C[NH+]1CCCC1 ZINC000623713005 367628645 /nfs/dbraw/zinc/62/86/45/367628645.db2.gz QIPBSTRZVMPTKT-KBPBESRZSA-N 2 2 298.431 0.348 20 0 CCADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCSC1 ZINC000624084890 367747359 /nfs/dbraw/zinc/74/73/59/367747359.db2.gz WCMYCCULCOOMJJ-MNOVXSKESA-N 2 2 257.403 0.421 20 0 CCADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCSC1 ZINC000624084890 367747365 /nfs/dbraw/zinc/74/73/65/367747365.db2.gz WCMYCCULCOOMJJ-MNOVXSKESA-N 2 2 257.403 0.421 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2CN(c3cc(-n4cc[nH+]c4)ncn3)C[C@H]21 ZINC000624256947 367812756 /nfs/dbraw/zinc/81/27/56/367812756.db2.gz OBXXTHRDCSZRKW-YABSGUDNSA-N 2 2 270.340 0.659 20 0 CCADLP CCOC(=O)CC[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000566425285 291403161 /nfs/dbraw/zinc/40/31/61/291403161.db2.gz YJDLJZMHGKEWPP-UHFFFAOYSA-N 2 2 272.389 0.765 20 0 CCADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624225899 367794822 /nfs/dbraw/zinc/79/48/22/367794822.db2.gz DSSIQDPXJPRANN-CHWSQXEVSA-N 2 2 271.405 0.290 20 0 CCADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624225899 367794824 /nfs/dbraw/zinc/79/48/24/367794824.db2.gz DSSIQDPXJPRANN-CHWSQXEVSA-N 2 2 271.405 0.290 20 0 CCADLP CCC[C@](C)([NH3+])C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000037621828 284006010 /nfs/dbraw/zinc/00/60/10/284006010.db2.gz IIKIEBFRBZWQHC-YPMHNXCESA-N 2 2 257.378 0.341 20 0 CCADLP COCCOCCOCCC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434531 368198864 /nfs/dbraw/zinc/19/88/64/368198864.db2.gz ZRRUMHAXDYAZMW-UHFFFAOYSA-N 2 2 283.372 0.838 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000625747225 368319148 /nfs/dbraw/zinc/31/91/48/368319148.db2.gz AYFLWANUYOPOOO-GFCCVEGCSA-N 2 2 280.372 0.276 20 0 CCADLP CCn1cc(O[C@@H]2C[N@H+](CCn3cc[nH+]c3)C[C@H]2O)cn1 ZINC000625618167 368271667 /nfs/dbraw/zinc/27/16/67/368271667.db2.gz VSLNMPPHVSVTSZ-ZIAGYGMSSA-N 2 2 291.355 0.224 20 0 CCADLP CCn1cc(O[C@@H]2C[N@@H+](CCn3cc[nH+]c3)C[C@H]2O)cn1 ZINC000625618167 368271675 /nfs/dbraw/zinc/27/16/75/368271675.db2.gz VSLNMPPHVSVTSZ-ZIAGYGMSSA-N 2 2 291.355 0.224 20 0 CCADLP O=C(NCC1=CC[NH2+]CC1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000566631312 291429011 /nfs/dbraw/zinc/42/90/11/291429011.db2.gz NMRMIJCSEDRDJS-UHFFFAOYSA-N 2 2 299.334 0.309 20 0 CCADLP CC(=O)NC[C@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000626157858 368464659 /nfs/dbraw/zinc/46/46/59/368464659.db2.gz CXOZLEMOAYQNTF-CYBMUJFWSA-N 2 2 250.346 0.874 20 0 CCADLP CC(=O)NC[C@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000626157858 368464660 /nfs/dbraw/zinc/46/46/60/368464660.db2.gz CXOZLEMOAYQNTF-CYBMUJFWSA-N 2 2 250.346 0.874 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000626206539 368486847 /nfs/dbraw/zinc/48/68/47/368486847.db2.gz RKIDVJOBWMEJON-NWDGAFQWSA-N 2 2 266.345 0.027 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000626206539 368486853 /nfs/dbraw/zinc/48/68/53/368486853.db2.gz RKIDVJOBWMEJON-NWDGAFQWSA-N 2 2 266.345 0.027 20 0 CCADLP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC([NH+](C)C)C1)CC2 ZINC000626301680 368510518 /nfs/dbraw/zinc/51/05/18/368510518.db2.gz REFHSTVLDWLZNO-NSHDSACASA-N 2 2 262.357 0.526 20 0 CCADLP CCN(CC[NH3+])C(=O)C(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000626852790 368662163 /nfs/dbraw/zinc/66/21/63/368662163.db2.gz BDFKYQXKCLFMSU-UHFFFAOYSA-N 2 2 289.339 0.388 20 0 CCADLP Cc1ccc(NC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)c(C)[nH+]1 ZINC000626891249 368669522 /nfs/dbraw/zinc/66/95/22/368669522.db2.gz YSXMGLNTYCMXOZ-SKDRFNHKSA-N 2 2 290.367 0.894 20 0 CCADLP C[C@H](CNC(=O)N[C@@H]1CC[NH2+]C12CCC2)[NH+]1CCOCC1 ZINC000626933538 368684900 /nfs/dbraw/zinc/68/49/00/368684900.db2.gz MEVBWRILWWOGGX-CHWSQXEVSA-N 2 2 296.415 0.291 20 0 CCADLP CCN(CC[NH3+])C(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000627017070 368739312 /nfs/dbraw/zinc/73/93/12/368739312.db2.gz ZGDNXJCPRDFTMN-SNVBAGLBSA-N 2 2 251.334 0.188 20 0 CCADLP CCN(CC[NH3+])C(=O)N[C@@H]1C[C@H](C)n2cc[nH+]c21 ZINC000627051856 368757466 /nfs/dbraw/zinc/75/74/66/368757466.db2.gz IFVQDQASSVEHPQ-VHSXEESVSA-N 2 2 251.334 0.879 20 0 CCADLP O=C(N[C@@H]1CC[NH2+]C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000627248159 368913443 /nfs/dbraw/zinc/91/34/43/368913443.db2.gz MSBZGPBPYIWMTN-LLVKDONJSA-N 2 2 263.345 0.592 20 0 CCADLP Cc1cc(NCCNC(=O)N(C)CC[NH3+])nc(C(C)C)[nH+]1 ZINC000627179204 368852276 /nfs/dbraw/zinc/85/22/76/368852276.db2.gz NSPVZTZZPOWWSN-UHFFFAOYSA-N 2 2 294.403 0.342 20 0 CCADLP CNC(=O)[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C(C)C ZINC000656256161 412774578 /nfs/dbraw/zinc/77/45/78/412774578.db2.gz UTTVTQXUKYDSIS-GJZGRUSLSA-N 2 2 297.443 0.990 20 0 CCADLP CC[C@H](C(=O)NC1CC([NH+]2CCOCC2)C1)[NH+](C)C ZINC000627936077 369140506 /nfs/dbraw/zinc/14/05/06/369140506.db2.gz KCNZOOFDQIXBGD-WXRRBKDZSA-N 2 2 269.389 0.306 20 0 CCADLP O=C(NC1CC([NH+]2CCOCC2)C1)[C@H]1CCC[N@H+]1C1CC1 ZINC000627941930 369142999 /nfs/dbraw/zinc/14/29/99/369142999.db2.gz YVKKVLNVMIXJLG-PESDSKBTSA-N 2 2 293.411 0.593 20 0 CCADLP Cc1cccn2c(CN3CC[N@@H+]4C[C@H](O)C[C@H]4C3)c[nH+]c12 ZINC000656273449 412775654 /nfs/dbraw/zinc/77/56/54/412775654.db2.gz FMGULFAOIMHOGW-DZGCQCFKSA-N 2 2 286.379 0.894 20 0 CCADLP Cc1cccn2c(CN3CC[N@H+]4C[C@H](O)C[C@H]4C3)c[nH+]c12 ZINC000656273449 412775658 /nfs/dbraw/zinc/77/56/58/412775658.db2.gz FMGULFAOIMHOGW-DZGCQCFKSA-N 2 2 286.379 0.894 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000330686583 203116252 /nfs/dbraw/zinc/11/62/52/203116252.db2.gz AZHHADQQEIFCIZ-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NCCn1cc[nH+]c1 ZINC000330686583 203116255 /nfs/dbraw/zinc/11/62/55/203116255.db2.gz AZHHADQQEIFCIZ-GFCCVEGCSA-N 2 2 250.346 0.874 20 0 CCADLP CC(C)NC(=O)C[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000330736682 203171226 /nfs/dbraw/zinc/17/12/26/203171226.db2.gz NJWPPWMQTBTXJZ-CHWSQXEVSA-N 2 2 298.431 0.042 20 0 CCADLP CC(C)NC(=O)C[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000330736682 203171230 /nfs/dbraw/zinc/17/12/30/203171230.db2.gz NJWPPWMQTBTXJZ-CHWSQXEVSA-N 2 2 298.431 0.042 20 0 CCADLP CC(C)NC(=O)C[NH+](C)CC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000330736682 203171234 /nfs/dbraw/zinc/17/12/34/203171234.db2.gz NJWPPWMQTBTXJZ-CHWSQXEVSA-N 2 2 298.431 0.042 20 0 CCADLP CC(C)NC(=O)C[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000330736682 203171237 /nfs/dbraw/zinc/17/12/37/203171237.db2.gz NJWPPWMQTBTXJZ-CHWSQXEVSA-N 2 2 298.431 0.042 20 0 CCADLP C[C@H]([NH2+][C@@H]1C[C@@H]2CCCCN2C1=O)[C@@H]1CCC[NH2+]1 ZINC000423159180 299399429 /nfs/dbraw/zinc/39/94/29/299399429.db2.gz FLQPEUBDYKLUHJ-ZDEQEGDKSA-N 2 2 251.374 0.870 20 0 CCADLP OCC[NH+](CCO)C1CC[NH+](Cc2ccccc2)CC1 ZINC000628369620 369251946 /nfs/dbraw/zinc/25/19/46/369251946.db2.gz MPESPVQXZYERKB-UHFFFAOYSA-N 2 2 278.396 0.938 20 0 CCADLP COc1cc(C[NH2+]CC[N@@H+]2CC[C@H](O)C2)cc(OC)c1O ZINC000628498095 369278975 /nfs/dbraw/zinc/27/89/75/369278975.db2.gz FUWGGSMJKJBDFN-LBPRGKRZSA-N 2 2 296.367 0.566 20 0 CCADLP COc1cc(C[NH2+]CC[N@H+]2CC[C@H](O)C2)cc(OC)c1O ZINC000628498095 369278978 /nfs/dbraw/zinc/27/89/78/369278978.db2.gz FUWGGSMJKJBDFN-LBPRGKRZSA-N 2 2 296.367 0.566 20 0 CCADLP O[C@H]1CC[N@H+](CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000628498746 369279208 /nfs/dbraw/zinc/27/92/08/369279208.db2.gz VICIIFABZYWEKP-INIZCTEOSA-N 3 2 290.411 0.707 20 0 CCADLP O[C@H]1CC[N@@H+](CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000628498746 369279210 /nfs/dbraw/zinc/27/92/10/369279210.db2.gz VICIIFABZYWEKP-INIZCTEOSA-N 3 2 290.411 0.707 20 0 CCADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@H](O)CO)C1 ZINC000330808156 203261580 /nfs/dbraw/zinc/26/15/80/203261580.db2.gz LWWGAMPTVBFPSH-SNPRPXQTSA-N 2 2 264.369 0.765 20 0 CCADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@H](O)CO)C1 ZINC000330808156 203261583 /nfs/dbraw/zinc/26/15/83/203261583.db2.gz LWWGAMPTVBFPSH-SNPRPXQTSA-N 2 2 264.369 0.765 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[N@@H+]1C ZINC000330913317 203385539 /nfs/dbraw/zinc/38/55/39/203385539.db2.gz RLYXUNFSLUHOCC-VXGBXAGGSA-N 2 2 250.346 0.872 20 0 CCADLP C[C@@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)CC[N@H+]1C ZINC000330913317 203385543 /nfs/dbraw/zinc/38/55/43/203385543.db2.gz RLYXUNFSLUHOCC-VXGBXAGGSA-N 2 2 250.346 0.872 20 0 CCADLP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C(=O)N(C)C)[nH]2)C[NH2+]1 ZINC000629412858 369667304 /nfs/dbraw/zinc/66/73/04/369667304.db2.gz LHCOZIAILAIJLN-WDEREUQCSA-N 2 2 264.373 0.947 20 0 CCADLP C[C@@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)C[NH+]1CCOCC1 ZINC000629564422 369710369 /nfs/dbraw/zinc/71/03/69/369710369.db2.gz JXKVNEDBHNKNSL-LSDHHAIUSA-N 3 2 285.432 0.001 20 0 CCADLP C[C@@H](CNC[C@@H](O)C[NH+]1CCCC1)C[NH+]1CCOCC1 ZINC000629564422 369710373 /nfs/dbraw/zinc/71/03/73/369710373.db2.gz JXKVNEDBHNKNSL-LSDHHAIUSA-N 2 2 285.432 0.001 20 0 CCADLP C[NH2+]CCOCC[N@H+](C)Cc1nnc2n1CCCCC2 ZINC000629571027 369716180 /nfs/dbraw/zinc/71/61/80/369716180.db2.gz FYFDQEYTIGRTOV-UHFFFAOYSA-N 2 2 281.404 0.672 20 0 CCADLP C[NH2+]CCOCC[N@@H+](C)Cc1nnc2n1CCCCC2 ZINC000629571027 369716185 /nfs/dbraw/zinc/71/61/85/369716185.db2.gz FYFDQEYTIGRTOV-UHFFFAOYSA-N 2 2 281.404 0.672 20 0 CCADLP CCc1nnc([C@H](C)[N@H+](C)CCOCC[NH2+]C)[nH]1 ZINC000629572249 369717272 /nfs/dbraw/zinc/71/72/72/369717272.db2.gz PHOSIBSOKPEJML-JTQLQIEISA-N 2 2 255.366 0.596 20 0 CCADLP CCc1nnc([C@H](C)[N@@H+](C)CCOCC[NH2+]C)[nH]1 ZINC000629572249 369717275 /nfs/dbraw/zinc/71/72/75/369717275.db2.gz PHOSIBSOKPEJML-JTQLQIEISA-N 2 2 255.366 0.596 20 0 CCADLP CC(C)(CC[NH2+]C[C@H](O)C[NH+]1CCCC1)S(C)(=O)=O ZINC000629579762 369722727 /nfs/dbraw/zinc/72/27/27/369722727.db2.gz HDQVAGXALPFWIZ-LBPRGKRZSA-N 2 2 292.445 0.246 20 0 CCADLP C1CC1[C@@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)[C@@H]1C[NH2+]CCO1 ZINC000629549978 369702466 /nfs/dbraw/zinc/70/24/66/369702466.db2.gz UMXUIEQJLCXHSM-ZQDZILKHSA-N 2 2 266.385 0.911 20 0 CCADLP O[C@H]1CC[N@H+](CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000629555910 369705864 /nfs/dbraw/zinc/70/58/64/369705864.db2.gz ILTXKZQHDINWMU-RQJABVFESA-N 3 2 253.390 0.031 20 0 CCADLP O[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000629555910 369705866 /nfs/dbraw/zinc/70/58/66/369705866.db2.gz ILTXKZQHDINWMU-RQJABVFESA-N 3 2 253.390 0.031 20 0 CCADLP [NH3+]C[C@@H]1CCCN(CC[NH+]2CCOCC2)[C@@H]1C(F)(F)F ZINC000629582786 369726552 /nfs/dbraw/zinc/72/65/52/369726552.db2.gz ZHFUDJAFUXCKHX-RYUDHWBXSA-N 2 2 295.349 0.920 20 0 CCADLP Cn1c[nH+]c2c1CCN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC000629954648 369852878 /nfs/dbraw/zinc/85/28/78/369852878.db2.gz JSKOFAPOCUZLEG-UHFFFAOYSA-N 2 2 262.357 0.789 20 0 CCADLP Cn1c[nH+]c2c1CCN(C(=O)C[N@@H+](C)C1CCC1)C2 ZINC000629954648 369852882 /nfs/dbraw/zinc/85/28/82/369852882.db2.gz JSKOFAPOCUZLEG-UHFFFAOYSA-N 2 2 262.357 0.789 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C[NH+](C)C1CCC1 ZINC000629957982 369853662 /nfs/dbraw/zinc/85/36/62/369853662.db2.gz OSNIQJMFYOJDTP-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C[NH+](C)C1CCC1 ZINC000629957982 369853668 /nfs/dbraw/zinc/85/36/68/369853668.db2.gz OSNIQJMFYOJDTP-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)C[N@H+](C)C1CCC1 ZINC000629957982 369853677 /nfs/dbraw/zinc/85/36/77/369853677.db2.gz OSNIQJMFYOJDTP-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@@H]1COCC[NH+]1CCNC(=O)C[N@@H+](C)C1CCC1 ZINC000629957982 369853683 /nfs/dbraw/zinc/85/36/83/369853683.db2.gz OSNIQJMFYOJDTP-GFCCVEGCSA-N 2 2 269.389 0.308 20 0 CCADLP C[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CCC1 ZINC000630002943 369886114 /nfs/dbraw/zinc/88/61/14/369886114.db2.gz ONHBCMPWRUGOCU-SNVBAGLBSA-N 2 2 250.346 0.847 20 0 CCADLP C[NH2+]C1(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CCC1 ZINC000630002943 369886117 /nfs/dbraw/zinc/88/61/17/369886117.db2.gz ONHBCMPWRUGOCU-SNVBAGLBSA-N 2 2 250.346 0.847 20 0 CCADLP [NH3+]CC1(NC(=O)NCC[NH+]2CCOCC2)CCCCC1 ZINC000631001404 370356558 /nfs/dbraw/zinc/35/65/58/370356558.db2.gz OQGSEZYGKRSIMT-UHFFFAOYSA-N 2 2 284.404 0.279 20 0 CCADLP Cc1nc(NCCC[NH+]2CCCCC2)nc(N)[nH+]1 ZINC000631048371 370368387 /nfs/dbraw/zinc/36/83/87/370368387.db2.gz YTKNYGFSKIXQAG-UHFFFAOYSA-N 2 2 250.350 0.302 20 0 CCADLP Cc1nc(N)nc(NCCC[NH+]2CCCCC2)[nH+]1 ZINC000631048371 370368390 /nfs/dbraw/zinc/36/83/90/370368390.db2.gz YTKNYGFSKIXQAG-UHFFFAOYSA-N 2 2 250.350 0.302 20 0 CCADLP Cc1nc(NCC[N@@H+]2CCc3ccccc3C2)nc(N)[nH+]1 ZINC000631053565 370369153 /nfs/dbraw/zinc/36/91/53/370369153.db2.gz KBJBUTRPTIGSMW-UHFFFAOYSA-N 2 2 284.367 0.485 20 0 CCADLP Cc1nc(NCC[N@H+]2CCc3ccccc3C2)nc(N)[nH+]1 ZINC000631053565 370369156 /nfs/dbraw/zinc/36/91/56/370369156.db2.gz KBJBUTRPTIGSMW-UHFFFAOYSA-N 2 2 284.367 0.485 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)CC[N@@H+]1C ZINC000631080858 370377671 /nfs/dbraw/zinc/37/76/71/370377671.db2.gz ZWEAMIQMQMFGHJ-HZSPNIEDSA-N 2 2 293.415 0.887 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)CC[N@H+]1C ZINC000631080858 370377679 /nfs/dbraw/zinc/37/76/79/370377679.db2.gz ZWEAMIQMQMFGHJ-HZSPNIEDSA-N 2 2 293.415 0.887 20 0 CCADLP Cc1nc(N2CCC[C@H]([NH2+]C(C)C)C2)nc(N)[nH+]1 ZINC000631087659 370381327 /nfs/dbraw/zinc/38/13/27/370381327.db2.gz ZUJYPSACWTVIRM-JTQLQIEISA-N 2 2 250.350 0.559 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC[N@@H+]1C ZINC000630934625 370327759 /nfs/dbraw/zinc/32/77/59/370327759.db2.gz AIXWUWZESZMGNJ-APIJFGDWSA-N 2 2 297.443 0.942 20 0 CCADLP CC[C@@H]1[C@@H](C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CC[N@H+]1C ZINC000630934625 370327763 /nfs/dbraw/zinc/32/77/63/370327763.db2.gz AIXWUWZESZMGNJ-APIJFGDWSA-N 2 2 297.443 0.942 20 0 CCADLP C[NH+](C)CCn1cc(C(=O)NCCc2[nH]cc[nH+]2)cn1 ZINC000631208425 370422762 /nfs/dbraw/zinc/42/27/62/370422762.db2.gz YGPLWPPPJFTXTJ-UHFFFAOYSA-N 2 2 276.344 0.140 20 0 CCADLP Cc1nc(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)nc(N)[nH+]1 ZINC000631171717 370411007 /nfs/dbraw/zinc/41/10/07/370411007.db2.gz HLYSSCBWDLUGBD-MNOVXSKESA-N 2 2 262.361 0.513 20 0 CCADLP Cc1nc(N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)nc(N)[nH+]1 ZINC000631171717 370411014 /nfs/dbraw/zinc/41/10/14/370411014.db2.gz HLYSSCBWDLUGBD-MNOVXSKESA-N 2 2 262.361 0.513 20 0 CCADLP Cc1nc(N)nc(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)[nH+]1 ZINC000631171717 370411017 /nfs/dbraw/zinc/41/10/17/370411017.db2.gz HLYSSCBWDLUGBD-MNOVXSKESA-N 2 2 262.361 0.513 20 0 CCADLP Cc1nc(N)nc(N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)[nH+]1 ZINC000631171717 370411022 /nfs/dbraw/zinc/41/10/22/370411022.db2.gz HLYSSCBWDLUGBD-MNOVXSKESA-N 2 2 262.361 0.513 20 0 CCADLP Cc1nc(NC[C@H]2[N@H+](C)CCCC2(C)C)nc(N)[nH+]1 ZINC000631255499 370439705 /nfs/dbraw/zinc/43/97/05/370439705.db2.gz RAKNDEHWBFCJGF-SNVBAGLBSA-N 2 2 264.377 0.547 20 0 CCADLP Cc1nc(NC[C@H]2[N@@H+](C)CCCC2(C)C)nc(N)[nH+]1 ZINC000631255499 370439709 /nfs/dbraw/zinc/43/97/09/370439709.db2.gz RAKNDEHWBFCJGF-SNVBAGLBSA-N 2 2 264.377 0.547 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1CSC1 ZINC000631275271 370448487 /nfs/dbraw/zinc/44/84/87/370448487.db2.gz CNFFIWLWVZMHPK-UHFFFAOYSA-N 2 2 285.457 0.834 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1CSC1 ZINC000631275271 370448490 /nfs/dbraw/zinc/44/84/90/370448490.db2.gz CNFFIWLWVZMHPK-UHFFFAOYSA-N 2 2 285.457 0.834 20 0 CCADLP Cc1nc(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)nc(N)[nH+]1 ZINC000631282178 370454172 /nfs/dbraw/zinc/45/41/72/370454172.db2.gz WORKQDCWYZPDRD-ZDUSSCGKSA-N 2 2 262.361 0.515 20 0 CCADLP Cc1nc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)nc(N)[nH+]1 ZINC000631282178 370454180 /nfs/dbraw/zinc/45/41/80/370454180.db2.gz WORKQDCWYZPDRD-ZDUSSCGKSA-N 2 2 262.361 0.515 20 0 CCADLP Cc1nc(N)nc(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)[nH+]1 ZINC000631282178 370454182 /nfs/dbraw/zinc/45/41/82/370454182.db2.gz WORKQDCWYZPDRD-ZDUSSCGKSA-N 2 2 262.361 0.515 20 0 CCADLP Cc1nc(N)nc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)[nH+]1 ZINC000631282178 370454188 /nfs/dbraw/zinc/45/41/88/370454188.db2.gz WORKQDCWYZPDRD-ZDUSSCGKSA-N 2 2 262.361 0.515 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H]2CCSC2)C[C@@H](C)O1 ZINC000567685313 291502071 /nfs/dbraw/zinc/50/20/71/291502071.db2.gz ZQNVMBBJCWKJBG-FDYHWXHSSA-N 2 2 274.430 0.552 20 0 CCADLP O=S(=O)(CCC[NH+]1CCCC1)NCCn1cc[nH+]c1 ZINC000631665276 370628936 /nfs/dbraw/zinc/62/89/36/370628936.db2.gz QDZOAVQEEOKBSM-UHFFFAOYSA-N 2 2 286.401 0.288 20 0 CCADLP Cc1nnc([C@@H]2C[N@H+](CCn3cc[nH+]c3C)CCO2)[nH]1 ZINC000331805976 204184433 /nfs/dbraw/zinc/18/44/33/204184433.db2.gz ROPFTSGSRXOXIE-LBPRGKRZSA-N 2 2 276.344 0.692 20 0 CCADLP Cc1nnc([C@@H]2C[N@@H+](CCn3cc[nH+]c3C)CCO2)[nH]1 ZINC000331805976 204184436 /nfs/dbraw/zinc/18/44/36/204184436.db2.gz ROPFTSGSRXOXIE-LBPRGKRZSA-N 2 2 276.344 0.692 20 0 CCADLP CCN(CCC[NH+](C)C)C(=O)C1([NH+]2CCOCC2)CC1 ZINC000632715072 371228642 /nfs/dbraw/zinc/22/86/42/371228642.db2.gz OIGYZXKHUNHELS-UHFFFAOYSA-N 2 2 283.416 0.651 20 0 CCADLP [NH3+][C@H](C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)c1cscn1 ZINC000567817122 291518154 /nfs/dbraw/zinc/51/81/54/291518154.db2.gz NBXYBYIQVWMMOJ-AAEUAGOBSA-N 2 2 294.424 0.991 20 0 CCADLP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCC[NH+]3CCOCC3)C[C@@H]21 ZINC000331967676 204344730 /nfs/dbraw/zinc/34/47/30/204344730.db2.gz QMAHOFCWBSWWQY-HZSPNIEDSA-N 2 2 296.415 0.087 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000633083590 371389487 /nfs/dbraw/zinc/38/94/87/371389487.db2.gz VJAOXQZHTOMFOE-SNVBAGLBSA-N 2 2 251.334 0.645 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000633083590 371389491 /nfs/dbraw/zinc/38/94/91/371389491.db2.gz VJAOXQZHTOMFOE-SNVBAGLBSA-N 2 2 251.334 0.645 20 0 CCADLP CCCCNC(=O)[C@@H](C)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000336840379 213746256 /nfs/dbraw/zinc/74/62/56/213746256.db2.gz PVAMRTDAIDNCMO-KGLIPLIRSA-N 2 2 282.432 0.271 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)[C@@H](C)O1 ZINC000633616068 371631490 /nfs/dbraw/zinc/63/14/90/371631490.db2.gz DGYHHOXIYCHJAU-MGPQQGTHSA-N 2 2 285.432 0.800 20 0 CCADLP C[C@@H]1C[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)[C@@H](C)O1 ZINC000633616068 371631493 /nfs/dbraw/zinc/63/14/93/371631493.db2.gz DGYHHOXIYCHJAU-MGPQQGTHSA-N 2 2 285.432 0.800 20 0 CCADLP COc1cccnc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000633618814 371635899 /nfs/dbraw/zinc/63/58/99/371635899.db2.gz RDKOUJASQWEQTL-UHFFFAOYSA-N 2 2 294.399 0.704 20 0 CCADLP COc1cccnc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000633618814 371635907 /nfs/dbraw/zinc/63/59/07/371635907.db2.gz RDKOUJASQWEQTL-UHFFFAOYSA-N 2 2 294.399 0.704 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCCC[NH+]1CCCC1 ZINC000337365756 214032418 /nfs/dbraw/zinc/03/24/18/214032418.db2.gz KHODFOZCQQMYPN-CQSZACIVSA-N 2 2 298.431 0.492 20 0 CCADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@H](O)C3CC3)c2)CC1 ZINC000634193058 371944099 /nfs/dbraw/zinc/94/40/99/371944099.db2.gz DSQATOLKLJXDAH-AWEZNQCLSA-N 2 2 290.367 0.543 20 0 CCADLP C[C@](O)(C[C@H](O)C[NH2+]CCCn1cc[nH+]c1)C1CC1 ZINC000634636527 372113135 /nfs/dbraw/zinc/11/31/35/372113135.db2.gz DUPLMCRKTGNRBO-KBPBESRZSA-N 2 2 267.373 0.775 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](O)C[C@](C)(O)C1CC1 ZINC000634699623 372145461 /nfs/dbraw/zinc/14/54/61/372145461.db2.gz MUOSDHWQIDXQKI-BNOWGMLFSA-N 2 2 267.373 0.773 20 0 CCADLP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)C[C@](C)(O)C1CC1 ZINC000634722200 372169128 /nfs/dbraw/zinc/16/91/28/372169128.db2.gz LGAATHAQEUUTPZ-MJBXVCDLSA-N 2 2 256.390 0.582 20 0 CCADLP C[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)C[C@](C)(O)C1CC1 ZINC000634722200 372169132 /nfs/dbraw/zinc/16/91/32/372169132.db2.gz LGAATHAQEUUTPZ-MJBXVCDLSA-N 2 2 256.390 0.582 20 0 CCADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)C1 ZINC000634723075 372170883 /nfs/dbraw/zinc/17/08/83/372170883.db2.gz ZPUCFRDEQJBYBG-KKUMJFAQSA-N 2 2 270.417 0.972 20 0 CCADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)C1 ZINC000634723075 372170886 /nfs/dbraw/zinc/17/08/86/372170886.db2.gz ZPUCFRDEQJBYBG-KKUMJFAQSA-N 2 2 270.417 0.972 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCCCN(C)C1=O ZINC000634744184 372189898 /nfs/dbraw/zinc/18/98/98/372189898.db2.gz QCDRXARWMDCRNQ-OLZOCXBDSA-N 2 2 271.405 0.242 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CCCCN(C)C1=O ZINC000634744184 372189902 /nfs/dbraw/zinc/18/99/02/372189902.db2.gz QCDRXARWMDCRNQ-OLZOCXBDSA-N 2 2 271.405 0.242 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H]1CCCCN(C)C1=O ZINC000634744184 372189908 /nfs/dbraw/zinc/18/99/08/372189908.db2.gz QCDRXARWMDCRNQ-OLZOCXBDSA-N 2 2 271.405 0.242 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H]1CCCCN(C)C1=O ZINC000634744184 372189913 /nfs/dbraw/zinc/18/99/13/372189913.db2.gz QCDRXARWMDCRNQ-OLZOCXBDSA-N 2 2 271.405 0.242 20 0 CCADLP C[C@@H](O)[C@H]1CCN(c2cc(N3CCC[NH2+]CC3)nc[nH+]2)C1 ZINC000634807209 372245417 /nfs/dbraw/zinc/24/54/17/372245417.db2.gz BWHDMDYHBWWIFH-OLZOCXBDSA-N 2 2 291.399 0.483 20 0 CCADLP C[C@H](O)CNc1cc(N2CCC[C@@H]([NH3+])C2)nc[nH+]1 ZINC000634807697 372247818 /nfs/dbraw/zinc/24/78/18/372247818.db2.gz XOYXJYUUHHWLKP-VHSXEESVSA-N 2 2 251.334 0.197 20 0 CCADLP C[C@@H](O)CNc1cc(N2CCC(C[NH3+])CC2)nc[nH+]1 ZINC000634808062 372247876 /nfs/dbraw/zinc/24/78/76/372247876.db2.gz ISRUKSKMAHDJKU-SNVBAGLBSA-N 2 2 265.361 0.444 20 0 CCADLP C[C@@H](O)CNc1cc(N2CCC(C[NH3+])CC2)[nH+]cn1 ZINC000634808062 372247888 /nfs/dbraw/zinc/24/78/88/372247888.db2.gz ISRUKSKMAHDJKU-SNVBAGLBSA-N 2 2 265.361 0.444 20 0 CCADLP c1cc(N2CC[C@H](N3CC[NH2+]CC3)C2)nc(C2CC2)[nH+]1 ZINC000634809428 372251241 /nfs/dbraw/zinc/25/12/41/372251241.db2.gz RNVUSANZGXFFNK-ZDUSSCGKSA-N 2 2 273.384 0.838 20 0 CCADLP c1cc2c(nc(C3CC3)[nH+]c2N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[nH]1 ZINC000634809852 372253822 /nfs/dbraw/zinc/25/38/22/372253822.db2.gz CZGGXUJVRXNAEA-URLYPYJESA-N 2 2 255.325 0.887 20 0 CCADLP C[C@H](O)CNc1cc(N2CCC[C@H]3C[NH2+]CC[C@@H]32)nc[nH+]1 ZINC000634812955 372257082 /nfs/dbraw/zinc/25/70/82/372257082.db2.gz VKWASKNXRGXOOF-AVGNSLFASA-N 2 2 291.399 0.848 20 0 CCADLP C[C@H](O)CNc1cc(N2CCC[C@H]3C[NH2+]CC[C@@H]32)[nH+]cn1 ZINC000634812955 372257087 /nfs/dbraw/zinc/25/70/87/372257087.db2.gz VKWASKNXRGXOOF-AVGNSLFASA-N 2 2 291.399 0.848 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H]2CCNC(=O)CC2)C1 ZINC000634950475 372308566 /nfs/dbraw/zinc/30/85/66/372308566.db2.gz STVMVGSKSSZQSG-ZIAGYGMSSA-N 2 2 283.416 0.602 20 0 CCADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H]2CCNC(=O)CC2)C1 ZINC000634950475 372308569 /nfs/dbraw/zinc/30/85/69/372308569.db2.gz STVMVGSKSSZQSG-ZIAGYGMSSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CCNC(=O)CC2)C1 ZINC000634952976 372309055 /nfs/dbraw/zinc/30/90/55/372309055.db2.gz NPMSZWIPOCIKIV-OLZOCXBDSA-N 2 2 253.390 0.977 20 0 CCADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCNC(=O)CC2)C1 ZINC000634952976 372309059 /nfs/dbraw/zinc/30/90/59/372309059.db2.gz NPMSZWIPOCIKIV-OLZOCXBDSA-N 2 2 253.390 0.977 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@H](n1cncn1)C(F)(F)F ZINC000635023861 372351619 /nfs/dbraw/zinc/35/16/19/372351619.db2.gz SWWIJEKRESTLSC-HLTSFMKQSA-N 2 2 263.267 0.851 20 0 CCADLP C[NH+](C)CCN1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635138405 372390690 /nfs/dbraw/zinc/39/06/90/372390690.db2.gz XYUXLOIAGPZFMC-CHWSQXEVSA-N 2 2 291.399 0.219 20 0 CCADLP C[NH+](C)CCN1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000635138405 372390696 /nfs/dbraw/zinc/39/06/96/372390696.db2.gz XYUXLOIAGPZFMC-CHWSQXEVSA-N 2 2 291.399 0.219 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@@H](C)[NH+](C)C)[NH+]1CCOCC1 ZINC000635174261 372404408 /nfs/dbraw/zinc/40/44/08/372404408.db2.gz IRSRDOAUXRMWBW-OLZOCXBDSA-N 2 2 271.405 0.410 20 0 CCADLP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)NCC[NH+](C)C)cc1 ZINC000635071243 372364728 /nfs/dbraw/zinc/36/47/28/372364728.db2.gz ZYORSEGJYBWGQG-OAHLLOKOSA-N 2 2 291.395 0.947 20 0 CCADLP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)NCC[NH+](C)C)cc1 ZINC000635071243 372364733 /nfs/dbraw/zinc/36/47/33/372364733.db2.gz ZYORSEGJYBWGQG-OAHLLOKOSA-N 2 2 291.395 0.947 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635279178 372444141 /nfs/dbraw/zinc/44/41/41/372444141.db2.gz MUUPAILFFRNVTN-VXGBXAGGSA-N 2 2 280.372 0.598 20 0 CCADLP COCC[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635279178 372444151 /nfs/dbraw/zinc/44/41/51/372444151.db2.gz MUUPAILFFRNVTN-VXGBXAGGSA-N 2 2 280.372 0.598 20 0 CCADLP COCC[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635279178 372444163 /nfs/dbraw/zinc/44/41/63/372444163.db2.gz MUUPAILFFRNVTN-VXGBXAGGSA-N 2 2 280.372 0.598 20 0 CCADLP COCC[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635279178 372444167 /nfs/dbraw/zinc/44/41/67/372444167.db2.gz MUUPAILFFRNVTN-VXGBXAGGSA-N 2 2 280.372 0.598 20 0 CCADLP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000635526160 372588765 /nfs/dbraw/zinc/58/87/65/372588765.db2.gz HOZUATKUZRFBDU-NEPJUHHUSA-N 2 2 284.404 0.228 20 0 CCADLP CC(C)(C[NH+]1CCOCC1)C(=O)NCc1c[nH+]c[nH]1 ZINC000635589095 372660848 /nfs/dbraw/zinc/66/08/48/372660848.db2.gz LVSZQWHZHYRXJB-UHFFFAOYSA-N 2 2 266.345 0.384 20 0 CCADLP CC(C)(C[NH+]1CCOCC1)C(=O)NCc1c[nH]c[nH+]1 ZINC000635589095 372660852 /nfs/dbraw/zinc/66/08/52/372660852.db2.gz LVSZQWHZHYRXJB-UHFFFAOYSA-N 2 2 266.345 0.384 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000333076067 205009560 /nfs/dbraw/zinc/00/95/60/205009560.db2.gz PNZPZDXIPCZKPI-RYUDHWBXSA-N 2 2 278.356 0.207 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000333076067 205009564 /nfs/dbraw/zinc/00/95/64/205009564.db2.gz PNZPZDXIPCZKPI-RYUDHWBXSA-N 2 2 278.356 0.207 20 0 CCADLP C[C@H](C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)[NH+](C)C ZINC000635619589 372692529 /nfs/dbraw/zinc/69/25/29/372692529.db2.gz USLBBDQDAXCKDT-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CCc1c[nH]c(CC(=O)NC[C@@H](O)C[NH+]2CCCCC2)[nH+]1 ZINC000635712162 372800017 /nfs/dbraw/zinc/80/00/17/372800017.db2.gz XPAONSXLSDCQPW-CYBMUJFWSA-N 2 2 294.399 0.478 20 0 CCADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000635716818 372808117 /nfs/dbraw/zinc/80/81/17/372808117.db2.gz VAGAETYZFXWSEK-GWCFXTLKSA-N 2 2 262.357 0.868 20 0 CCADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000635716818 372808121 /nfs/dbraw/zinc/80/81/21/372808121.db2.gz VAGAETYZFXWSEK-GWCFXTLKSA-N 2 2 262.357 0.868 20 0 CCADLP [NH3+]C1(C(=O)NCc2cc[nH+]c(N3CCOCC3)c2)CCC1 ZINC000568082469 291552231 /nfs/dbraw/zinc/55/22/31/291552231.db2.gz HBAXUEIPSUEDNN-UHFFFAOYSA-N 2 2 290.367 0.416 20 0 CCADLP Cn1c[nH+]cc1CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635789273 372910940 /nfs/dbraw/zinc/91/09/40/372910940.db2.gz KIMIVLZTBSNXEU-UHFFFAOYSA-N 2 2 294.399 0.437 20 0 CCADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000333345017 205237928 /nfs/dbraw/zinc/23/79/28/205237928.db2.gz ZAJZBAFNBUPMNH-UBHSHLNASA-N 2 2 281.400 0.578 20 0 CCADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000333345017 205237932 /nfs/dbraw/zinc/23/79/32/205237932.db2.gz ZAJZBAFNBUPMNH-UBHSHLNASA-N 2 2 281.400 0.578 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)[nH+]1 ZINC000635819104 372952406 /nfs/dbraw/zinc/95/24/06/372952406.db2.gz VELHCQWZHSDAQT-NEPJUHHUSA-N 2 2 294.399 0.428 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)[nH+]1 ZINC000635819104 372952414 /nfs/dbraw/zinc/95/24/14/372952414.db2.gz VELHCQWZHSDAQT-NEPJUHHUSA-N 2 2 294.399 0.428 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)[nH+]1 ZINC000635819106 372952744 /nfs/dbraw/zinc/95/27/44/372952744.db2.gz VELHCQWZHSDAQT-RYUDHWBXSA-N 2 2 294.399 0.428 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)[nH+]1 ZINC000635819106 372952750 /nfs/dbraw/zinc/95/27/50/372952750.db2.gz VELHCQWZHSDAQT-RYUDHWBXSA-N 2 2 294.399 0.428 20 0 CCADLP C[C@H]1CN(C(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1CCO ZINC000635823597 372961129 /nfs/dbraw/zinc/96/11/29/372961129.db2.gz QOXDNXMEJHZFQL-ZDUSSCGKSA-N 2 2 285.432 0.489 20 0 CCADLP C[C@H]1CN(C(=O)C[NH+](C)CC(C)(C)C)CC[N@H+]1CCO ZINC000635823597 372961133 /nfs/dbraw/zinc/96/11/33/372961133.db2.gz QOXDNXMEJHZFQL-ZDUSSCGKSA-N 2 2 285.432 0.489 20 0 CCADLP C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[NH+]1CCO ZINC000635823597 372961139 /nfs/dbraw/zinc/96/11/39/372961139.db2.gz QOXDNXMEJHZFQL-ZDUSSCGKSA-N 2 2 285.432 0.489 20 0 CCADLP C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)CC[NH+]1CCO ZINC000635823597 372961142 /nfs/dbraw/zinc/96/11/42/372961142.db2.gz QOXDNXMEJHZFQL-ZDUSSCGKSA-N 2 2 285.432 0.489 20 0 CCADLP Cc1nc(NCC23CCC[NH+]2CCC3)nc(N(C)C)[nH+]1 ZINC000333405151 205293563 /nfs/dbraw/zinc/29/35/63/205293563.db2.gz FPGIYEKRJIBWLS-UHFFFAOYSA-N 2 2 276.388 0.708 20 0 CCADLP C[C@](O)(C[NH2+]C[C@@H](O)C[NH+]1CCCCC1)C(F)(F)F ZINC000574453640 335019599 /nfs/dbraw/zinc/01/95/99/335019599.db2.gz VXKIOUWMQUAVIM-MNOVXSKESA-N 2 2 284.322 0.736 20 0 CCADLP CCc1c[nH]c(CC(=O)N2CCC3(C[NH+](C)C3)C2)[nH+]1 ZINC000635859785 373012767 /nfs/dbraw/zinc/01/27/67/373012767.db2.gz VZPOTDFFPZCQNJ-UHFFFAOYSA-N 2 2 262.357 0.679 20 0 CCADLP O=C(NCC[N@H+]1CC=CCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635877240 373039059 /nfs/dbraw/zinc/03/90/59/373039059.db2.gz JWPJUCVPDJTEBH-VXGBXAGGSA-N 2 2 260.341 0.891 20 0 CCADLP O=C(NCC[N@@H+]1CC=CCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635877240 373039064 /nfs/dbraw/zinc/03/90/64/373039064.db2.gz JWPJUCVPDJTEBH-VXGBXAGGSA-N 2 2 260.341 0.891 20 0 CCADLP O=C(NCC[N@H+]1CC=CCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635877240 373039069 /nfs/dbraw/zinc/03/90/69/373039069.db2.gz JWPJUCVPDJTEBH-VXGBXAGGSA-N 2 2 260.341 0.891 20 0 CCADLP O=C(NCC[N@@H+]1CC=CCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635877240 373039071 /nfs/dbraw/zinc/03/90/71/373039071.db2.gz JWPJUCVPDJTEBH-VXGBXAGGSA-N 2 2 260.341 0.891 20 0 CCADLP C[C@H]1C[C@H](C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC[NH2+]1 ZINC000333464410 205343193 /nfs/dbraw/zinc/34/31/93/205343193.db2.gz HEQKFVCNGOYFAX-MYZSUADSSA-N 3 2 277.416 0.535 20 0 CCADLP C[C@H]1C[C@H](C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC[NH2+]1 ZINC000333464410 205343196 /nfs/dbraw/zinc/34/31/96/205343196.db2.gz HEQKFVCNGOYFAX-MYZSUADSSA-N 3 2 277.416 0.535 20 0 CCADLP C[C@H]1C[C@@H](C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC[NH2+]1 ZINC000333464412 205343206 /nfs/dbraw/zinc/34/32/06/205343206.db2.gz HEQKFVCNGOYFAX-NZBPQXDJSA-N 3 2 277.416 0.535 20 0 CCADLP C[C@H]1C[C@@H](C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC[NH2+]1 ZINC000333464412 205343209 /nfs/dbraw/zinc/34/32/09/205343209.db2.gz HEQKFVCNGOYFAX-NZBPQXDJSA-N 3 2 277.416 0.535 20 0 CCADLP Cc1nc(N)c(CNC(=O)C23CCC[NH+](CCC2)C3)c[nH+]1 ZINC000635920344 373107132 /nfs/dbraw/zinc/10/71/32/373107132.db2.gz AJBAFZJNPXKHPG-UHFFFAOYSA-N 2 2 289.383 0.690 20 0 CCADLP [NH3+][C@H](c1cn(-c2cc[nH+]c(CO)c2)nn1)[C@@H]1CCCO1 ZINC000656458999 412806085 /nfs/dbraw/zinc/80/60/85/412806085.db2.gz LHNQNKXJXMQBLI-QWHCGFSZSA-N 2 2 275.312 0.333 20 0 CCADLP c1c(CC[NH+]2CCOCC2)nnn1[C@@H]1CCC[NH2+]C1 ZINC000656468074 412808931 /nfs/dbraw/zinc/80/89/31/412808931.db2.gz TZZADLLCDZMBFI-CYBMUJFWSA-N 2 2 265.361 0.077 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000636048332 373292837 /nfs/dbraw/zinc/29/28/37/373292837.db2.gz OMSRWXOJPSZXRY-OCCSQVGLSA-N 2 2 294.399 0.551 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000636048332 373292845 /nfs/dbraw/zinc/29/28/45/373292845.db2.gz OMSRWXOJPSZXRY-OCCSQVGLSA-N 2 2 294.399 0.551 20 0 CCADLP CC(C)(C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1c[nH]c[nH+]1 ZINC000636049580 373296433 /nfs/dbraw/zinc/29/64/33/373296433.db2.gz KAUDANLTMGVAIK-LBPRGKRZSA-N 2 2 294.399 0.650 20 0 CCADLP O=C(N[C@@H]1CC[NH2+]C1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000333642566 205541497 /nfs/dbraw/zinc/54/14/97/205541497.db2.gz IMYHKGRKSTTYRW-CQSZACIVSA-N 2 2 289.383 0.271 20 0 CCADLP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000636598735 373667756 /nfs/dbraw/zinc/66/77/56/373667756.db2.gz RZIXMDQAZABSND-NSHDSACASA-N 2 2 295.387 0.215 20 0 CCADLP O=C(NCCCCn1cc[nH+]c1)NCC[N@H+]1CC[C@H](O)C1 ZINC000636621516 373677868 /nfs/dbraw/zinc/67/78/68/373677868.db2.gz PVSQDFSXKFGWBB-ZDUSSCGKSA-N 2 2 295.387 0.029 20 0 CCADLP O=C(NCCCCn1cc[nH+]c1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000636621516 373677871 /nfs/dbraw/zinc/67/78/71/373677871.db2.gz PVSQDFSXKFGWBB-ZDUSSCGKSA-N 2 2 295.387 0.029 20 0 CCADLP CN(CC[NH+]1CCOCC1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000636872391 373797117 /nfs/dbraw/zinc/79/71/17/373797117.db2.gz FVKPABOFCSIZSR-ZDUSSCGKSA-N 2 2 284.404 0.102 20 0 CCADLP C[C@@H](CNC(=O)C[NH+]1CC(C)(C)C1)N1CC[NH+](C)CC1 ZINC000574463246 335022061 /nfs/dbraw/zinc/02/20/61/335022061.db2.gz PPTPHRCNYCEGCX-ZDUSSCGKSA-N 2 2 282.432 0.080 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)NCCOCC[NH+](C)C ZINC000637078913 373915663 /nfs/dbraw/zinc/91/56/63/373915663.db2.gz OKGLTPWNEIUAAU-UHFFFAOYSA-N 2 2 269.349 0.129 20 0 CCADLP C[N@@H+]1CCC[C@@H](CCNC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000637216429 374019793 /nfs/dbraw/zinc/01/97/93/374019793.db2.gz NZAWYPVMSDACJU-STQMWFEESA-N 2 2 291.399 0.839 20 0 CCADLP C[N@H+]1CCC[C@@H](CCNC(=O)N[C@H]2Cc3c[nH+]cn3C2)C1 ZINC000637216429 374019802 /nfs/dbraw/zinc/01/98/02/374019802.db2.gz NZAWYPVMSDACJU-STQMWFEESA-N 2 2 291.399 0.839 20 0 CCADLP CC[N@@H+]1CCOC[C@@H]1C(=O)NC(C)(C)C[NH+](C)C ZINC000637336965 374109849 /nfs/dbraw/zinc/10/98/49/374109849.db2.gz CWVHEZYYTVXVKO-LLVKDONJSA-N 2 2 257.378 0.164 20 0 CCADLP CC[N@H+]1CCOC[C@@H]1C(=O)NC(C)(C)C[NH+](C)C ZINC000637336965 374109852 /nfs/dbraw/zinc/10/98/52/374109852.db2.gz CWVHEZYYTVXVKO-LLVKDONJSA-N 2 2 257.378 0.164 20 0 CCADLP CN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1COCC[N@@H+]1C ZINC000637439701 374151912 /nfs/dbraw/zinc/15/19/12/374151912.db2.gz ABHMBQWZCVWZKP-CQSZACIVSA-N 2 2 298.431 0.444 20 0 CCADLP CN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1COCC[N@H+]1C ZINC000637439701 374151918 /nfs/dbraw/zinc/15/19/18/374151918.db2.gz ABHMBQWZCVWZKP-CQSZACIVSA-N 2 2 298.431 0.444 20 0 CCADLP CCN(CCC[NH+](C)C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000637441717 374161324 /nfs/dbraw/zinc/16/13/24/374161324.db2.gz NQMPDHKTFGNACA-ZDUSSCGKSA-N 2 2 286.420 0.300 20 0 CCADLP CCN(CCC[NH+](C)C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000637441717 374161331 /nfs/dbraw/zinc/16/13/31/374161331.db2.gz NQMPDHKTFGNACA-ZDUSSCGKSA-N 2 2 286.420 0.300 20 0 CCADLP Cn1cc[nH+]c1CN1C(=O)N[C@@]2(CCCC[C@H]2C[NH3+])C1=O ZINC000568387035 291588081 /nfs/dbraw/zinc/58/80/81/291588081.db2.gz KPQVYDCYHXZMLJ-IINYFYTJSA-N 2 2 291.355 0.360 20 0 CCADLP CN(Cc1ccccc1)C[C@H]([NH3+])C(=O)N1CC[C@H]([NH3+])C1 ZINC000637820762 374357707 /nfs/dbraw/zinc/35/77/07/374357707.db2.gz GRLCATGNUVPONL-KBPBESRZSA-N 2 2 276.384 0.005 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000334136671 206045249 /nfs/dbraw/zinc/04/52/49/206045249.db2.gz YYIJJZMPWLLILC-ZDUSSCGKSA-N 2 2 296.415 0.245 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)NCC2([NH+]3CCOCC3)CC2)C1 ZINC000334136671 206045253 /nfs/dbraw/zinc/04/52/53/206045253.db2.gz YYIJJZMPWLLILC-ZDUSSCGKSA-N 2 2 296.415 0.245 20 0 CCADLP CCc1c[nH]c(CC(=O)NCC[C@H]2CC[NH2+]C2)[nH+]1 ZINC000637833213 374376965 /nfs/dbraw/zinc/37/69/65/374376965.db2.gz QRRYATOIAKWQRD-SNVBAGLBSA-N 2 2 250.346 0.630 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000637851384 374407665 /nfs/dbraw/zinc/40/76/65/374407665.db2.gz HGUSZPDMFHCOBQ-GHMZBOCLSA-N 2 2 250.346 0.894 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000637851384 374407673 /nfs/dbraw/zinc/40/76/73/374407673.db2.gz HGUSZPDMFHCOBQ-GHMZBOCLSA-N 2 2 250.346 0.894 20 0 CCADLP Cc1cn2ccc(C(=O)N3CCO[C@H]([C@@H](C)[NH3+])C3)cc2[nH+]1 ZINC000637865459 374429281 /nfs/dbraw/zinc/42/92/81/374429281.db2.gz FNCUDXGJPWUUAF-YPMHNXCESA-N 2 2 288.351 0.831 20 0 CCADLP OCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000574511106 335024855 /nfs/dbraw/zinc/02/48/55/335024855.db2.gz YAZADBWAGBXALX-MHEUCROKSA-N 2 2 268.401 0.894 20 0 CCADLP Nc1nc(N)c(CN2CCC[C@@H]2C[NH+]2CCCC2)c[nH+]1 ZINC000637979559 374523752 /nfs/dbraw/zinc/52/37/52/374523752.db2.gz TUQFZEIPAFTSFL-GFCCVEGCSA-N 2 2 276.388 0.362 20 0 CCADLP Nc1nc(N)c(CN2CCCC[C@H]([NH+]3CCCC3)C2)c[nH+]1 ZINC000637997280 374542510 /nfs/dbraw/zinc/54/25/10/374542510.db2.gz ZNLKSQPMCBYXHQ-ZDUSSCGKSA-N 2 2 290.415 0.752 20 0 CCADLP C[C@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)C1C[NH2+]C1 ZINC000568513208 291599971 /nfs/dbraw/zinc/59/99/71/291599971.db2.gz KSQQIXCUMCNYAR-CMPLNLGQSA-N 2 2 296.392 0.419 20 0 CCADLP CC[NH2+][C@H](C)C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000638050614 374593506 /nfs/dbraw/zinc/59/35/06/374593506.db2.gz ZLDAEQFIPXBGHG-LLVKDONJSA-N 2 2 257.378 0.211 20 0 CCADLP COC[C@@]1(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)CCCC[NH2+]1 ZINC000638077650 374633338 /nfs/dbraw/zinc/63/33/38/374633338.db2.gz WYFOTJOUNVDJNL-UKRRQHHQSA-N 2 2 294.399 0.794 20 0 CCADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[NH+](C3CC3)CC2)C1 ZINC000638061815 374607522 /nfs/dbraw/zinc/60/75/22/374607522.db2.gz HUZOEDKGHLSZBX-JSGCOSHPSA-N 2 2 267.373 0.060 20 0 CCADLP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H](C)Cn2cc[nH+]c2)C1 ZINC000638072382 374625054 /nfs/dbraw/zinc/62/50/54/374625054.db2.gz FUHOGZPHKDCJDD-MDZLAQPJSA-N 2 2 266.345 0.155 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000638097165 374659472 /nfs/dbraw/zinc/65/94/72/374659472.db2.gz BIZGIFVISAHDJX-NSHDSACASA-N 2 2 257.378 0.211 20 0 CCADLP CC[NH2+][C@@H](C)C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000638097165 374659477 /nfs/dbraw/zinc/65/94/77/374659477.db2.gz BIZGIFVISAHDJX-NSHDSACASA-N 2 2 257.378 0.211 20 0 CCADLP COc1cccc([C@H]([NH3+])C(=O)NCc2[nH+]ccn2C)c1 ZINC000638101983 374667734 /nfs/dbraw/zinc/66/77/34/374667734.db2.gz FUOLHMXIYHJRHR-ZDUSSCGKSA-N 2 2 274.324 0.745 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000638103200 374668837 /nfs/dbraw/zinc/66/88/37/374668837.db2.gz LSXNDLHYKUYVAM-UHFFFAOYSA-N 2 2 284.363 0.925 20 0 CCADLP COC[C@@]1(C(=O)NCc2[nH+]ccn2C)CCCC[NH2+]1 ZINC000638102039 374668884 /nfs/dbraw/zinc/66/88/84/374668884.db2.gz GZEFALZVAXGFLC-CYBMUJFWSA-N 2 2 266.345 0.195 20 0 CCADLP CC(C)C[C@@H](C(=O)N1CCO[C@H](C[NH3+])C1)n1cc[nH+]c1 ZINC000638172507 374755752 /nfs/dbraw/zinc/75/57/52/374755752.db2.gz PDXBPGATUDDIEH-OLZOCXBDSA-N 2 2 280.372 0.656 20 0 CCADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnc(N)nc3N)CC[C@@H]21 ZINC000638176520 374761132 /nfs/dbraw/zinc/76/11/32/374761132.db2.gz DZJNXARGPAVXAD-PWSUYJOCSA-N 2 2 276.388 0.218 20 0 CCADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnc(N)nc3N)CC[C@@H]21 ZINC000638176520 374761141 /nfs/dbraw/zinc/76/11/41/374761141.db2.gz DZJNXARGPAVXAD-PWSUYJOCSA-N 2 2 276.388 0.218 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnc(N)nc3N)CC[C@@H]21 ZINC000638176520 374761147 /nfs/dbraw/zinc/76/11/47/374761147.db2.gz DZJNXARGPAVXAD-PWSUYJOCSA-N 2 2 276.388 0.218 20 0 CCADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnc(N)nc3N)CC[C@@H]21 ZINC000638176520 374761156 /nfs/dbraw/zinc/76/11/56/374761156.db2.gz DZJNXARGPAVXAD-PWSUYJOCSA-N 2 2 276.388 0.218 20 0 CCADLP Cc1cn2c([nH+]1)C[C@H](C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)CC2 ZINC000638157246 374730840 /nfs/dbraw/zinc/73/08/40/374730840.db2.gz KRZOGNIZIQHEDW-RAIGVLPGSA-N 2 2 276.384 0.963 20 0 CCADLP CN(Cc1[nH+]ccn1C)C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638271713 374873294 /nfs/dbraw/zinc/87/32/94/374873294.db2.gz RYVAOBKPPWNUTR-CYBMUJFWSA-N 2 2 266.345 0.134 20 0 CCADLP COC[C@]1(C(=O)N(C)Cc2[nH+]ccn2C)CCCC[NH2+]1 ZINC000638271899 374873333 /nfs/dbraw/zinc/87/33/33/374873333.db2.gz UQFSDSJJIGEQTA-AWEZNQCLSA-N 2 2 280.372 0.537 20 0 CCADLP CC(C)C[C@H](C(=O)NC[C@@H]1C[NH2+]CCCO1)n1cc[nH+]c1 ZINC000638263776 374862177 /nfs/dbraw/zinc/86/21/77/374862177.db2.gz CNNVZRYJHJXICK-UONOGXRCSA-N 2 2 294.399 0.965 20 0 CCADLP CC(C)[C@H](CNCc1c[nH+]c(N)nc1N)[NH+]1CCCC1 ZINC000638353795 374951192 /nfs/dbraw/zinc/95/11/92/374951192.db2.gz TVCRQZUWKMRXPS-LBPRGKRZSA-N 2 2 278.404 0.512 20 0 CCADLP CO[C@H](C[NH2+][C@@H](C)Cn1cc[nH+]c1)[C@H]1CCOC1 ZINC000638358572 374955908 /nfs/dbraw/zinc/95/59/08/374955908.db2.gz FUTLSKSGOCCDPQ-RWMBFGLXSA-N 2 2 253.346 0.913 20 0 CCADLP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NCc1c[nH+]c(N)nc1N ZINC000638413394 375010057 /nfs/dbraw/zinc/01/00/57/375010057.db2.gz VABXHRGSQVIHBI-WDEREUQCSA-N 2 2 278.404 0.512 20 0 CCADLP C[C@H](C[N@H+]1CCC[C@H](C)C1)NCc1c[nH+]c(N)nc1N ZINC000638413394 375010062 /nfs/dbraw/zinc/01/00/62/375010062.db2.gz VABXHRGSQVIHBI-WDEREUQCSA-N 2 2 278.404 0.512 20 0 CCADLP Cc1ccc(CC[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000638439581 375041588 /nfs/dbraw/zinc/04/15/88/375041588.db2.gz HJGBFJMWGABTOL-UHFFFAOYSA-N 2 2 275.396 0.901 20 0 CCADLP Cn1cc[nH+]c1[C@H]1N(C(=O)CN2CC[NH2+]CC2)CC1(C)C ZINC000638435578 375036289 /nfs/dbraw/zinc/03/62/89/375036289.db2.gz CWQYZXLZQIWSFT-CYBMUJFWSA-N 2 2 291.399 0.235 20 0 CCADLP CCO[C@@H]1C[C@@H]([NH2+]CC[N@H+](C)CCOC)[C@]12CCCO2 ZINC000638481335 375074847 /nfs/dbraw/zinc/07/48/47/375074847.db2.gz GSVIDQWGTJVYIR-RBSFLKMASA-N 2 2 286.416 0.881 20 0 CCADLP CCO[C@@H]1C[C@@H]([NH2+]CC[N@@H+](C)CCOC)[C@]12CCCO2 ZINC000638481335 375074850 /nfs/dbraw/zinc/07/48/50/375074850.db2.gz GSVIDQWGTJVYIR-RBSFLKMASA-N 2 2 286.416 0.881 20 0 CCADLP COCC[N@H+](C)CC[NH2+]C[C@@H](OC)C1CCOCC1 ZINC000638481129 375074893 /nfs/dbraw/zinc/07/48/93/375074893.db2.gz DYSVRTWTNXLYII-CQSZACIVSA-N 2 2 274.405 0.596 20 0 CCADLP COCC[N@@H+](C)CC[NH2+]C[C@@H](OC)C1CCOCC1 ZINC000638481129 375074900 /nfs/dbraw/zinc/07/49/00/375074900.db2.gz DYSVRTWTNXLYII-CQSZACIVSA-N 2 2 274.405 0.596 20 0 CCADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2ccns2)C1 ZINC000638571298 375147210 /nfs/dbraw/zinc/14/72/10/375147210.db2.gz NYTCUEMQQOAMHJ-NSHDSACASA-N 2 2 282.413 0.820 20 0 CCADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2ccns2)C1 ZINC000638571298 375147216 /nfs/dbraw/zinc/14/72/16/375147216.db2.gz NYTCUEMQQOAMHJ-NSHDSACASA-N 2 2 282.413 0.820 20 0 CCADLP C[NH2+]CCOCCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000638592513 375173003 /nfs/dbraw/zinc/17/30/03/375173003.db2.gz FQNFLBKOGKCOJO-GFCCVEGCSA-N 2 2 280.372 0.140 20 0 CCADLP CO[C@@H](C[NH2+]C[C@H]1C[N@H+](C)CCN1C)C1CCOCC1 ZINC000638596276 375177081 /nfs/dbraw/zinc/17/70/81/375177081.db2.gz IBNNGVZYBONDIK-GJZGRUSLSA-N 2 2 285.432 0.263 20 0 CCADLP CO[C@@H](C[NH2+]C[C@H]1C[N@@H+](C)CCN1C)C1CCOCC1 ZINC000638596276 375177085 /nfs/dbraw/zinc/17/70/85/375177085.db2.gz IBNNGVZYBONDIK-GJZGRUSLSA-N 2 2 285.432 0.263 20 0 CCADLP COc1cc(C[C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2C)ccn1 ZINC000638596461 375177299 /nfs/dbraw/zinc/17/72/99/375177299.db2.gz KVDRZGYGQLSLSF-UKRRQHHQSA-N 2 2 292.427 0.857 20 0 CCADLP COc1cc(C[C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)ccn1 ZINC000638596461 375177302 /nfs/dbraw/zinc/17/73/02/375177302.db2.gz KVDRZGYGQLSLSF-UKRRQHHQSA-N 2 2 292.427 0.857 20 0 CCADLP c1cc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)sn1 ZINC000638595517 375177452 /nfs/dbraw/zinc/17/74/52/375177452.db2.gz BPUABEZELFTOEP-ZDUSSCGKSA-N 2 2 296.440 0.639 20 0 CCADLP Cc1ccc([C@H]([NH3+])C(=O)NC[C@H]2COCC[N@H+]2C)cc1 ZINC000638610788 375192742 /nfs/dbraw/zinc/19/27/42/375192742.db2.gz KUTZKNBBLZUDDB-KBPBESRZSA-N 2 2 277.368 0.442 20 0 CCADLP Cc1ccc([C@H]([NH3+])C(=O)NC[C@H]2COCC[N@@H+]2C)cc1 ZINC000638610788 375192746 /nfs/dbraw/zinc/19/27/46/375192746.db2.gz KUTZKNBBLZUDDB-KBPBESRZSA-N 2 2 277.368 0.442 20 0 CCADLP C[N@@H+]1CCOC[C@@H]1CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000638612087 375193524 /nfs/dbraw/zinc/19/35/24/375193524.db2.gz SHPSKGKIXVFEII-HKGGGCDWSA-N 2 2 295.427 0.587 20 0 CCADLP C[N@H+]1CCOC[C@@H]1CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000638612087 375193531 /nfs/dbraw/zinc/19/35/31/375193531.db2.gz SHPSKGKIXVFEII-HKGGGCDWSA-N 2 2 295.427 0.587 20 0 CCADLP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000638930356 375465609 /nfs/dbraw/zinc/46/56/09/375465609.db2.gz WFXVFRYRZZUQAL-MWLCHTKSSA-N 2 2 275.343 0.912 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000638878845 375420890 /nfs/dbraw/zinc/42/08/90/375420890.db2.gz FAPAYQXSUFBUGU-LSDHHAIUSA-N 3 2 292.427 0.342 20 0 CCADLP Cn1ncnc1C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000638903734 375441298 /nfs/dbraw/zinc/44/12/98/375441298.db2.gz UKQHMYATYWNDCN-UHFFFAOYSA-N 2 2 290.371 0.440 20 0 CCADLP O=C(C[C@H](n1cc[nH+]c1)C(F)(F)F)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638917532 375454008 /nfs/dbraw/zinc/45/40/08/375454008.db2.gz GNQOMQFLAGLHEJ-GUBZILKMSA-N 2 2 288.273 0.949 20 0 CCADLP Cc1nnsc1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000639049038 375548199 /nfs/dbraw/zinc/54/81/99/375548199.db2.gz GXCOILHUARKCCC-UHFFFAOYSA-N 2 2 270.402 0.783 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000639065625 375557062 /nfs/dbraw/zinc/55/70/62/375557062.db2.gz QWLGMGLHNMVMFZ-JSGCOSHPSA-N 3 2 290.411 0.745 20 0 CCADLP CO[C@@]1(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)CCOC1 ZINC000639062930 375557191 /nfs/dbraw/zinc/55/71/91/375557191.db2.gz WAQCJOQSWWNGJK-OAHLLOKOSA-N 2 2 292.383 0.713 20 0 CCADLP CC(C)[C@H](NC(=O)C[C@@H]1C[NH2+]CCO1)c1[nH]cc[nH+]1 ZINC000574634539 335035475 /nfs/dbraw/zinc/03/54/75/335035475.db2.gz BSZFFUORDXMPJR-PWSUYJOCSA-N 2 2 266.345 0.602 20 0 CCADLP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000639220290 375644732 /nfs/dbraw/zinc/64/47/32/375644732.db2.gz WXAVEZZTOTWSQS-RBSFLKMASA-N 2 2 297.443 0.870 20 0 CCADLP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000639220290 375644737 /nfs/dbraw/zinc/64/47/37/375644737.db2.gz WXAVEZZTOTWSQS-RBSFLKMASA-N 2 2 297.443 0.870 20 0 CCADLP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000639220295 375645383 /nfs/dbraw/zinc/64/53/83/375645383.db2.gz XBEGAGUTNPNXDJ-QLFBSQMISA-N 2 2 297.443 0.870 20 0 CCADLP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000639220295 375645389 /nfs/dbraw/zinc/64/53/89/375645389.db2.gz XBEGAGUTNPNXDJ-QLFBSQMISA-N 2 2 297.443 0.870 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000062976697 284537556 /nfs/dbraw/zinc/53/75/56/284537556.db2.gz SEKRCIUIQUSRQR-AGIUHOORSA-N 2 2 269.389 0.293 20 0 CCADLP CC[C@](COC)([NH2+]CCCc1c[nH+]cn1C)C(=O)OC ZINC000568878212 291631082 /nfs/dbraw/zinc/63/10/82/291631082.db2.gz ATLZNXSYGKAGQQ-CQSZACIVSA-N 2 2 283.372 0.911 20 0 CCADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC000656702705 412843783 /nfs/dbraw/zinc/84/37/83/412843783.db2.gz RMSGACDAGKQTCP-OLZOCXBDSA-N 2 2 266.389 0.706 20 0 CCADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC000656702705 412843785 /nfs/dbraw/zinc/84/37/85/412843785.db2.gz RMSGACDAGKQTCP-OLZOCXBDSA-N 2 2 266.389 0.706 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000656702130 412844012 /nfs/dbraw/zinc/84/40/12/412844012.db2.gz LUCPKJANHMLWSX-IHRRRGAJSA-N 2 2 288.432 0.861 20 0 CCADLP COC[C@H](C)OC[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000656702130 412844013 /nfs/dbraw/zinc/84/40/13/412844013.db2.gz LUCPKJANHMLWSX-IHRRRGAJSA-N 2 2 288.432 0.861 20 0 CCADLP COCC[C@@H]1COCC[N@@H+]1CCc1c[nH+]cn1C ZINC000639652226 375888896 /nfs/dbraw/zinc/88/88/96/375888896.db2.gz NWRYTBOXOJNCSG-CYBMUJFWSA-N 2 2 253.346 0.700 20 0 CCADLP COCC[C@@H]1COCC[N@H+]1CCc1c[nH+]cn1C ZINC000639652226 375888907 /nfs/dbraw/zinc/88/89/07/375888907.db2.gz NWRYTBOXOJNCSG-CYBMUJFWSA-N 2 2 253.346 0.700 20 0 CCADLP Cc1cc(C)c(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c(C)[nH+]1 ZINC000639665974 375897285 /nfs/dbraw/zinc/89/72/85/375897285.db2.gz NNWXGKXORPPSMN-BETUJISGSA-N 2 2 273.336 0.711 20 0 CCADLP Cc1cc(C)c(C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c(C)[nH+]1 ZINC000639665974 375897292 /nfs/dbraw/zinc/89/72/92/375897292.db2.gz NNWXGKXORPPSMN-BETUJISGSA-N 2 2 273.336 0.711 20 0 CCADLP Cc1nccnc1C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764013 375992571 /nfs/dbraw/zinc/99/25/71/375992571.db2.gz SBFJTLZFSFEMEO-CQSZACIVSA-N 2 2 264.373 0.674 20 0 CCADLP Cc1nccnc1C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639764013 375992578 /nfs/dbraw/zinc/99/25/78/375992578.db2.gz SBFJTLZFSFEMEO-CQSZACIVSA-N 2 2 264.373 0.674 20 0 CCADLP CC1CCN(C(=O)C[N@@H+]2CCC[C@@](O)(C[NH+](C)C)C2)CC1 ZINC000639764052 375993319 /nfs/dbraw/zinc/99/33/19/375993319.db2.gz FZRNRYAMIMKFSZ-MRXNPFEDSA-N 2 2 297.443 0.633 20 0 CCADLP CC1CCN(C(=O)C[N@H+]2CCC[C@@](O)(C[NH+](C)C)C2)CC1 ZINC000639764052 375993324 /nfs/dbraw/zinc/99/33/24/375993324.db2.gz FZRNRYAMIMKFSZ-MRXNPFEDSA-N 2 2 297.443 0.633 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](CC(=O)N2CCCCCC2)C1 ZINC000639766041 375995321 /nfs/dbraw/zinc/99/53/21/375995321.db2.gz NEWBCJLBSIFTKG-MRXNPFEDSA-N 2 2 297.443 0.778 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](CC(=O)N2CCCCCC2)C1 ZINC000639766041 375995329 /nfs/dbraw/zinc/99/53/29/375995329.db2.gz NEWBCJLBSIFTKG-MRXNPFEDSA-N 2 2 297.443 0.778 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCOC[C@@H]2CCCO2)C1 ZINC000639761045 375985434 /nfs/dbraw/zinc/98/54/34/375985434.db2.gz FEYPYKBYDFLNQZ-GJZGRUSLSA-N 2 2 286.416 0.571 20 0 CCADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCOC[C@@H]2CCCO2)C1 ZINC000639761045 375985443 /nfs/dbraw/zinc/98/54/43/375985443.db2.gz FEYPYKBYDFLNQZ-GJZGRUSLSA-N 2 2 286.416 0.571 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000639858351 376087860 /nfs/dbraw/zinc/08/78/60/376087860.db2.gz RZYCYTZABUVDAZ-UONOGXRCSA-N 2 2 279.388 0.463 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000639858351 376087868 /nfs/dbraw/zinc/08/78/68/376087868.db2.gz RZYCYTZABUVDAZ-UONOGXRCSA-N 2 2 279.388 0.463 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000639858351 376087875 /nfs/dbraw/zinc/08/78/75/376087875.db2.gz RZYCYTZABUVDAZ-UONOGXRCSA-N 2 2 279.388 0.463 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000639858351 376087881 /nfs/dbraw/zinc/08/78/81/376087881.db2.gz RZYCYTZABUVDAZ-UONOGXRCSA-N 2 2 279.388 0.463 20 0 CCADLP Cc1nnc(N2CC[NH+](CCc3c[nH+]cn3C)CC2)n1C ZINC000639975805 376165156 /nfs/dbraw/zinc/16/51/56/376165156.db2.gz HUTFYTXQZGJKHH-UHFFFAOYSA-N 2 2 289.387 0.222 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)CC(F)(F)F ZINC000640051709 376218744 /nfs/dbraw/zinc/21/87/44/376218744.db2.gz WZNPQDOZGLHQQN-JTQLQIEISA-N 2 2 297.321 0.006 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)CC(F)(F)F ZINC000640051709 376218748 /nfs/dbraw/zinc/21/87/48/376218748.db2.gz WZNPQDOZGLHQQN-JTQLQIEISA-N 2 2 297.321 0.006 20 0 CCADLP C[N@H+](CC[C@H]1CCCCO1)CC(=O)N1CC[NH+](C)CC1 ZINC000640051718 376219127 /nfs/dbraw/zinc/21/91/27/376219127.db2.gz XEQZTKFXWGWPPW-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP C[N@@H+](CC[C@H]1CCCCO1)CC(=O)N1CC[NH+](C)CC1 ZINC000640051718 376219132 /nfs/dbraw/zinc/21/91/32/376219132.db2.gz XEQZTKFXWGWPPW-CQSZACIVSA-N 2 2 283.416 0.651 20 0 CCADLP CC(C)[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)c1[nH]cc[nH+]1 ZINC000640723604 376512560 /nfs/dbraw/zinc/51/25/60/376512560.db2.gz QSWDVGDESVRKRC-STQMWFEESA-N 2 2 291.399 0.613 20 0 CCADLP CC(C)[C@H](NC(=O)[C@@H]1C[N@H+]2CCN1CCC2)c1[nH]cc[nH+]1 ZINC000640723604 376512566 /nfs/dbraw/zinc/51/25/66/376512566.db2.gz QSWDVGDESVRKRC-STQMWFEESA-N 2 2 291.399 0.613 20 0 CCADLP [NH3+][C@@H](CO)Cc1cn(Cc2ccc(-n3cc[nH+]c3)cc2)nn1 ZINC000640881495 376596320 /nfs/dbraw/zinc/59/63/20/376596320.db2.gz QEQQDKXUKHWSLC-CYBMUJFWSA-N 2 2 298.350 0.374 20 0 CCADLP C[N@H+]1CC=C(CNS(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000641412920 377087232 /nfs/dbraw/zinc/08/72/32/377087232.db2.gz UZWBYRSTSOHGME-UHFFFAOYSA-N 2 2 284.385 0.064 20 0 CCADLP C[N@@H+]1CC=C(CNS(=O)(=O)CCn2cc[nH+]c2)CC1 ZINC000641412920 377087237 /nfs/dbraw/zinc/08/72/37/377087237.db2.gz UZWBYRSTSOHGME-UHFFFAOYSA-N 2 2 284.385 0.064 20 0 CCADLP C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)CCn3cc[nH+]c3)C2)C1 ZINC000641507307 377191366 /nfs/dbraw/zinc/19/13/66/377191366.db2.gz BEKYHUNBEANUCM-CYBMUJFWSA-N 2 2 298.412 0.241 20 0 CCADLP C[N@H+]1CC[C@@]2(CCN(S(=O)(=O)CCn3cc[nH+]c3)C2)C1 ZINC000641507307 377191378 /nfs/dbraw/zinc/19/13/78/377191378.db2.gz BEKYHUNBEANUCM-CYBMUJFWSA-N 2 2 298.412 0.241 20 0 CCADLP C[C@H]([NH3+])CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000641476597 377159524 /nfs/dbraw/zinc/15/95/24/377159524.db2.gz SKTSAENEVNMJEE-CMPLNLGQSA-N 2 2 264.329 0.592 20 0 CCADLP Cc1nc(N(C)C)nc(N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)[nH+]1 ZINC000641649304 377360746 /nfs/dbraw/zinc/36/07/46/377360746.db2.gz YDVFTCOEEBTZBV-MNOVXSKESA-N 2 2 278.404 0.809 20 0 CCADLP Cc1nc(N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)nc(N(C)C)[nH+]1 ZINC000641649304 377360749 /nfs/dbraw/zinc/36/07/49/377360749.db2.gz YDVFTCOEEBTZBV-MNOVXSKESA-N 2 2 278.404 0.809 20 0 CCADLP CC(C)c1nc(NC[C@@H]2CSCC[NH2+]2)nc(N(C)C)[nH+]1 ZINC000641686786 377388688 /nfs/dbraw/zinc/38/86/88/377388688.db2.gz AAGNUVVVPLKFEU-SNVBAGLBSA-N 2 2 296.444 0.600 20 0 CCADLP C[N@@H+]1CCN(C(=O)NCCn2cc[nH+]c2)CC1(C)C ZINC000641742876 377433655 /nfs/dbraw/zinc/43/36/55/377433655.db2.gz REKXBFMIMOOJAL-UHFFFAOYSA-N 2 2 265.361 0.619 20 0 CCADLP C[N@H+]1CCN(C(=O)NCCn2cc[nH+]c2)CC1(C)C ZINC000641742876 377433660 /nfs/dbraw/zinc/43/36/60/377433660.db2.gz REKXBFMIMOOJAL-UHFFFAOYSA-N 2 2 265.361 0.619 20 0 CCADLP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1cnc(C)nc1 ZINC000641771444 377456302 /nfs/dbraw/zinc/45/63/02/377456302.db2.gz IQPOWEHXIWABCK-AWEZNQCLSA-N 2 2 266.389 0.967 20 0 CCADLP c1cc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)n[nH]1 ZINC000641787840 377463461 /nfs/dbraw/zinc/46/34/61/377463461.db2.gz FMDBCESRJZNEEH-OAHLLOKOSA-N 2 2 293.415 0.296 20 0 CCADLP CC[C@@H](COC)[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641787269 377463926 /nfs/dbraw/zinc/46/39/26/377463926.db2.gz OOOROGCBIAAENO-HOTGVXAUSA-N 2 2 299.459 0.798 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)CO1 ZINC000641786312 377464274 /nfs/dbraw/zinc/46/42/74/377464274.db2.gz PGBPCVAWDVVXKN-BZUAXINKSA-N 2 2 297.443 0.550 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCS(=O)(=O)N(C)C)[C@H]1C ZINC000641807493 377480672 /nfs/dbraw/zinc/48/06/72/377480672.db2.gz UWNQTNOWYKGYHO-WOPDTQHZSA-N 2 2 277.434 0.326 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCS(=O)(=O)N(C)C)[C@H]1C ZINC000641807493 377480680 /nfs/dbraw/zinc/48/06/80/377480680.db2.gz UWNQTNOWYKGYHO-WOPDTQHZSA-N 2 2 277.434 0.326 20 0 CCADLP Cc1ccc(NC(=O)C(=O)NCCC(C)(C)[NH3+])c(C)[nH+]1 ZINC000641821131 377490100 /nfs/dbraw/zinc/49/01/00/377490100.db2.gz GBLPXHGHSKWBIM-UHFFFAOYSA-N 2 2 278.356 0.881 20 0 CCADLP C[NH+](C)CC(C)(C)[NH2+]CCN1C(=O)NC2(CCCC2)C1=O ZINC000459551946 249042156 /nfs/dbraw/zinc/04/21/56/249042156.db2.gz UNQSODFADWSGKV-UHFFFAOYSA-N 2 2 296.415 0.781 20 0 CCADLP Cc1ccc(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)c(C)[nH+]1 ZINC000569357032 291672501 /nfs/dbraw/zinc/67/25/01/291672501.db2.gz TVHFDGXTDIFLQD-JTQLQIEISA-N 2 2 262.313 0.115 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@H]2CCN(c3cnn(C)c3)C2=O)n1C ZINC000514949899 249114238 /nfs/dbraw/zinc/11/42/38/249114238.db2.gz LHPBPYIEZLLLCP-ZDUSSCGKSA-N 2 2 288.355 0.357 20 0 CCADLP CC[C@@H]1CN(C(=O)[C@H](C)[NH+]2CC(C)C2)CC[N@H+]1CCOC ZINC000514738306 249102924 /nfs/dbraw/zinc/10/29/24/249102924.db2.gz OIWFFPMGHSHRFY-LSDHHAIUSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@@H](CN1CCOCC1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000514839375 249107207 /nfs/dbraw/zinc/10/72/07/249107207.db2.gz WFHHSBGXJJHYTK-KBPBESRZSA-N 2 2 278.400 0.930 20 0 CCADLP C[C@@H](CN1CCOCC1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000514839375 249107211 /nfs/dbraw/zinc/10/72/11/249107211.db2.gz WFHHSBGXJJHYTK-KBPBESRZSA-N 2 2 278.400 0.930 20 0 CCADLP Cc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])nc1C ZINC000515402563 249133335 /nfs/dbraw/zinc/13/33/35/249133335.db2.gz CRLWLAVYMHQWBX-AWEZNQCLSA-N 2 2 291.399 0.483 20 0 CCADLP Cc1ccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])nc1C ZINC000515402563 249133338 /nfs/dbraw/zinc/13/33/38/249133338.db2.gz CRLWLAVYMHQWBX-AWEZNQCLSA-N 2 2 291.399 0.483 20 0 CCADLP C[C@H](C(=O)NCCCCN1CC[NH+](C)CC1)[NH+]1CC(C)C1 ZINC000515668775 249142254 /nfs/dbraw/zinc/14/22/54/249142254.db2.gz PQMHYEPFYUAUSZ-OAHLLOKOSA-N 2 2 296.459 0.470 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3scnc3C3CC3)CCN2C1=O ZINC000517176050 249207029 /nfs/dbraw/zinc/20/70/29/249207029.db2.gz LEEFJBPJFVDMAM-WDEREUQCSA-N 2 2 292.408 0.764 20 0 CCADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3scnc3C3CC3)CCN2C1=O ZINC000517176050 249207030 /nfs/dbraw/zinc/20/70/30/249207030.db2.gz LEEFJBPJFVDMAM-WDEREUQCSA-N 2 2 292.408 0.764 20 0 CCADLP CC[NH2+]CCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000516568859 249170397 /nfs/dbraw/zinc/17/03/97/249170397.db2.gz GYQVWIUIZJPWSA-AWEZNQCLSA-N 2 2 283.416 0.746 20 0 CCADLP CC[NH2+]CCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000516568859 249170400 /nfs/dbraw/zinc/17/04/00/249170400.db2.gz GYQVWIUIZJPWSA-AWEZNQCLSA-N 2 2 283.416 0.746 20 0 CCADLP C[C@@H]1C[C@@H](CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])CCO1 ZINC000516916526 249188373 /nfs/dbraw/zinc/18/83/73/249188373.db2.gz OZIAVYFIDQIAKY-FRRDWIJNSA-N 2 2 284.404 0.086 20 0 CCADLP C[C@@H]1C[C@@H](CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CCO1 ZINC000516916526 249188374 /nfs/dbraw/zinc/18/83/74/249188374.db2.gz OZIAVYFIDQIAKY-FRRDWIJNSA-N 2 2 284.404 0.086 20 0 CCADLP C[C@@H]([NH3+])C1CCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)CC1 ZINC000517935908 249234925 /nfs/dbraw/zinc/23/49/25/249234925.db2.gz HKDXYQYHBUGKBE-CHWSQXEVSA-N 2 2 282.432 0.208 20 0 CCADLP Nc1[nH+]cnc(N2CC[C@H]3CC[NH2+][C@@H]3C2)c1Cl ZINC000643034189 377697886 /nfs/dbraw/zinc/69/78/86/377697886.db2.gz VGIWSNLJJVUZBY-HTQZYQBOSA-N 2 2 253.737 0.900 20 0 CCADLP CC[C@H](COC)[NH2+]C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000570391331 291752836 /nfs/dbraw/zinc/75/28/36/291752836.db2.gz XPWFZPVVJKSRLZ-FQUUOJAGSA-N 2 2 274.405 0.471 20 0 CCADLP C[C@H](NC(=O)CCc1[nH]cc[nH+]1)[C@H](C)[NH+]1CCOCC1 ZINC000279351375 194397307 /nfs/dbraw/zinc/39/73/07/194397307.db2.gz FHGDSZJCVKSWBJ-RYUDHWBXSA-N 2 2 280.372 0.568 20 0 CCADLP Cc1ccc2[nH+]cc(C[NH2+][C@]3(CO)CCOC3)n2c1 ZINC000184201190 284908182 /nfs/dbraw/zinc/90/81/82/284908182.db2.gz CDTGTHVHOYETSG-AWEZNQCLSA-N 2 2 261.325 0.884 20 0 CCADLP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H]2COC[C@@H]21)C1CC1 ZINC000657293605 412952345 /nfs/dbraw/zinc/95/23/45/412952345.db2.gz HJUMXQPAJDPCDJ-XBFCOCLRSA-N 2 2 254.374 0.552 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H]2COC[C@@H]21)C1CC1 ZINC000657293605 412952349 /nfs/dbraw/zinc/95/23/49/412952349.db2.gz HJUMXQPAJDPCDJ-XBFCOCLRSA-N 2 2 254.374 0.552 20 0 CCADLP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H]2COC[C@@H]21)C1CC1 ZINC000657293605 412952355 /nfs/dbraw/zinc/95/23/55/412952355.db2.gz HJUMXQPAJDPCDJ-XBFCOCLRSA-N 2 2 254.374 0.552 20 0 CCADLP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H]2COC[C@@H]21)C1CC1 ZINC000657293605 412952359 /nfs/dbraw/zinc/95/23/59/412952359.db2.gz HJUMXQPAJDPCDJ-XBFCOCLRSA-N 2 2 254.374 0.552 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)N3CC[C@H]([NH3+])C3)cn2c1 ZINC000334895182 207258022 /nfs/dbraw/zinc/25/80/22/207258022.db2.gz SXMIBAAYSIMJKY-NSHDSACASA-N 2 2 273.340 0.885 20 0 CCADLP CCS(=O)(=O)NCCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657337714 412961622 /nfs/dbraw/zinc/96/16/22/412961622.db2.gz HCEXSQCBZGMKSO-UHFFFAOYSA-N 2 2 286.401 0.248 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC[C@H]2CCCO2)[C@H](C)C1 ZINC000246944020 285037913 /nfs/dbraw/zinc/03/79/13/285037913.db2.gz UGOGBDQIEWNFAP-KFWWJZLASA-N 2 2 297.443 0.944 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC[C@H]2CCCO2)[C@H](C)C1 ZINC000246944020 285037915 /nfs/dbraw/zinc/03/79/15/285037915.db2.gz UGOGBDQIEWNFAP-KFWWJZLASA-N 2 2 297.443 0.944 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC[C@H]2CCCO2)[C@@H](C)C1 ZINC000246944065 285037930 /nfs/dbraw/zinc/03/79/30/285037930.db2.gz UGOGBDQIEWNFAP-ZNMIVQPWSA-N 2 2 297.443 0.944 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC[C@H]2CCCO2)[C@@H](C)C1 ZINC000246944065 285037933 /nfs/dbraw/zinc/03/79/33/285037933.db2.gz UGOGBDQIEWNFAP-ZNMIVQPWSA-N 2 2 297.443 0.944 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NC[C@H]2CCCO2)[C@@H](C)C1 ZINC000246944065 285037935 /nfs/dbraw/zinc/03/79/35/285037935.db2.gz UGOGBDQIEWNFAP-ZNMIVQPWSA-N 2 2 297.443 0.944 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NC[C@H]2CCCO2)[C@@H](C)C1 ZINC000246944065 285037938 /nfs/dbraw/zinc/03/79/38/285037938.db2.gz UGOGBDQIEWNFAP-ZNMIVQPWSA-N 2 2 297.443 0.944 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NC[C@H]2CCCO2)[C@H](C)C1 ZINC000246944020 285037907 /nfs/dbraw/zinc/03/79/07/285037907.db2.gz UGOGBDQIEWNFAP-KFWWJZLASA-N 2 2 297.443 0.944 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NC[C@H]2CCCO2)[C@H](C)C1 ZINC000246944020 285037910 /nfs/dbraw/zinc/03/79/10/285037910.db2.gz UGOGBDQIEWNFAP-KFWWJZLASA-N 2 2 297.443 0.944 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCNC2=O)[C@@H](C)C1 ZINC000247050816 285041859 /nfs/dbraw/zinc/04/18/59/285041859.db2.gz OINYBAZPMBZEJC-RYUDHWBXSA-N 2 2 282.388 0.200 20 0 CCADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCNC2=O)[C@@H](C)C1 ZINC000247050816 285041861 /nfs/dbraw/zinc/04/18/61/285041861.db2.gz OINYBAZPMBZEJC-RYUDHWBXSA-N 2 2 282.388 0.200 20 0 CCADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCNC2=O)[C@@H](C)C1 ZINC000247050816 285041865 /nfs/dbraw/zinc/04/18/65/285041865.db2.gz OINYBAZPMBZEJC-RYUDHWBXSA-N 2 2 282.388 0.200 20 0 CCADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCNC2=O)[C@@H](C)C1 ZINC000247050816 285041866 /nfs/dbraw/zinc/04/18/66/285041866.db2.gz OINYBAZPMBZEJC-RYUDHWBXSA-N 2 2 282.388 0.200 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000237096842 285044112 /nfs/dbraw/zinc/04/41/12/285044112.db2.gz NPZWONDIUOYISV-LLVKDONJSA-N 2 2 257.378 0.150 20 0 CCADLP NC(=O)C1(C[NH2+]Cc2c[nH+]c3n2CCC3)CCCC1 ZINC000657367247 412974062 /nfs/dbraw/zinc/97/40/62/412974062.db2.gz PNYUXTJCOIECQF-UHFFFAOYSA-N 2 2 262.357 0.965 20 0 CCADLP CNC(=O)N1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000335265337 208058715 /nfs/dbraw/zinc/05/87/15/208058715.db2.gz LHRYUWCPASLOLC-CYBMUJFWSA-N 2 2 268.405 0.818 20 0 CCADLP CNC(=O)N1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000335265337 208058721 /nfs/dbraw/zinc/05/87/21/208058721.db2.gz LHRYUWCPASLOLC-CYBMUJFWSA-N 2 2 268.405 0.818 20 0 CCADLP C[C@@H](C(=O)N(C)C(C)(C)C[NH+]1CCOCC1)[NH+]1CC(C)C1 ZINC000571938778 291848357 /nfs/dbraw/zinc/84/83/57/291848357.db2.gz LCBYJTLSQGXZGP-AWEZNQCLSA-N 2 2 297.443 0.896 20 0 CCADLP O=C1C[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)CN1C1CC1 ZINC000657387968 412977543 /nfs/dbraw/zinc/97/75/43/412977543.db2.gz YXYREGGDPPSOJD-SNVBAGLBSA-N 2 2 260.341 0.682 20 0 CCADLP CO[C@@]1(C[NH2+]Cc2c[nH+]c3n2CCC3)CCOC1 ZINC000657438149 412988526 /nfs/dbraw/zinc/98/85/26/412988526.db2.gz ZQUMJQJETJMZQK-CYBMUJFWSA-N 2 2 251.330 0.724 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(Cc2[nH+]ccn2C)[C@H](C)C1 ZINC000249511286 285121156 /nfs/dbraw/zinc/12/11/56/285121156.db2.gz NIWGDFZMEXLYFU-NEPJUHHUSA-N 2 2 252.362 0.307 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(Cc2[nH+]ccn2C)[C@H](C)C1 ZINC000249511286 285121157 /nfs/dbraw/zinc/12/11/57/285121157.db2.gz NIWGDFZMEXLYFU-NEPJUHHUSA-N 2 2 252.362 0.307 20 0 CCADLP COCC(C)(C)[NH+]1CCN(CC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000425506956 533097072 /nfs/dbraw/zinc/09/70/72/533097072.db2.gz QAKDARIKUJMPQP-HNNXBMFYSA-N 2 2 299.459 0.750 20 0 CCADLP COCC(C)(C)[NH+]1CCN(CC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000425506956 533097079 /nfs/dbraw/zinc/09/70/79/533097079.db2.gz QAKDARIKUJMPQP-HNNXBMFYSA-N 2 2 299.459 0.750 20 0 CCADLP C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657454517 412994997 /nfs/dbraw/zinc/99/49/97/412994997.db2.gz LVAVFHHEGNVMTR-GWCFXTLKSA-N 2 2 251.330 0.459 20 0 CCADLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2ccc(CO)o2)CC1 ZINC000304362210 285167789 /nfs/dbraw/zinc/16/77/89/285167789.db2.gz XZNHCMQUHYMTLO-ZDUSSCGKSA-N 2 2 282.384 0.954 20 0 CCADLP C[C@@H]1CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@@H]1C[NH3+] ZINC000420296658 296391376 /nfs/dbraw/zinc/39/13/76/296391376.db2.gz XMCQXYAMRXNBBS-XBVQOTNRSA-N 3 2 291.439 0.977 20 0 CCADLP C[C@@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@@H]1C[NH3+] ZINC000420296658 296391377 /nfs/dbraw/zinc/39/13/77/296391377.db2.gz XMCQXYAMRXNBBS-XBVQOTNRSA-N 3 2 291.439 0.977 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]CCN2CCC(O)CC2)n1C ZINC000321426880 285179157 /nfs/dbraw/zinc/17/91/57/285179157.db2.gz WKHYXKKZSKUWAY-UHFFFAOYSA-N 2 2 281.404 0.032 20 0 CCADLP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]Cc1cnn2c1CCC2 ZINC000657480859 413004506 /nfs/dbraw/zinc/00/45/06/413004506.db2.gz YUIPMAKFPIPMIM-CQSZACIVSA-N 2 2 278.400 0.766 20 0 CCADLP C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000393683518 285211154 /nfs/dbraw/zinc/21/11/54/285211154.db2.gz KUFAEHBIFPLVLU-BDAKNGLRSA-N 2 2 267.295 0.785 20 0 CCADLP COC[C@@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)C1CC1 ZINC000453265387 285241297 /nfs/dbraw/zinc/24/12/97/285241297.db2.gz NQNSBOHYRDEDSJ-ZIAGYGMSSA-N 2 2 256.390 0.848 20 0 CCADLP COC[C@@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)C1CC1 ZINC000453265387 285241298 /nfs/dbraw/zinc/24/12/98/285241298.db2.gz NQNSBOHYRDEDSJ-ZIAGYGMSSA-N 2 2 256.390 0.848 20 0 CCADLP Cn1c(C[N@H+](C)CCC[NH+]2CCCC2)cc(=O)n(C)c1=O ZINC000281233136 195159272 /nfs/dbraw/zinc/15/92/72/195159272.db2.gz FNSMGPDFZADAHR-UHFFFAOYSA-N 2 2 294.399 0.002 20 0 CCADLP Cn1c(C[N@@H+](C)CCC[NH+]2CCCC2)cc(=O)n(C)c1=O ZINC000281233136 195159275 /nfs/dbraw/zinc/15/92/75/195159275.db2.gz FNSMGPDFZADAHR-UHFFFAOYSA-N 2 2 294.399 0.002 20 0 CCADLP CCCn1cc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cn1 ZINC000520839544 285277186 /nfs/dbraw/zinc/27/71/86/285277186.db2.gz INTRBBUYCWUGRO-STQMWFEESA-N 2 2 277.372 0.037 20 0 CCADLP CCCn1cc(C[N@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cn1 ZINC000520839544 285277189 /nfs/dbraw/zinc/27/71/89/285277189.db2.gz INTRBBUYCWUGRO-STQMWFEESA-N 2 2 277.372 0.037 20 0 CCADLP Cn1ccc2c1cccc2C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000521890981 285294947 /nfs/dbraw/zinc/29/49/47/285294947.db2.gz LHBQDDUDYMLFIA-LBPRGKRZSA-N 2 2 286.379 0.893 20 0 CCADLP Cn1ccc2c1cccc2C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000521890981 285294950 /nfs/dbraw/zinc/29/49/50/285294950.db2.gz LHBQDDUDYMLFIA-LBPRGKRZSA-N 2 2 286.379 0.893 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCN1CCCC1=O ZINC000521885056 285295160 /nfs/dbraw/zinc/29/51/60/285295160.db2.gz LUDJLKJERNQLNM-YPMHNXCESA-N 2 2 251.374 0.681 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCN1CCCC1=O ZINC000521885056 285295164 /nfs/dbraw/zinc/29/51/64/285295164.db2.gz LUDJLKJERNQLNM-YPMHNXCESA-N 2 2 251.374 0.681 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000575054246 335059541 /nfs/dbraw/zinc/05/95/41/335059541.db2.gz WVPKRDAUXGHWMV-JQWIXIFHSA-N 3 2 264.373 0.312 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000575054246 335059543 /nfs/dbraw/zinc/05/95/43/335059543.db2.gz WVPKRDAUXGHWMV-JQWIXIFHSA-N 3 2 264.373 0.312 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000575054246 335059544 /nfs/dbraw/zinc/05/95/44/335059544.db2.gz WVPKRDAUXGHWMV-JQWIXIFHSA-N 3 2 264.373 0.312 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1CC1 ZINC000575054246 335059546 /nfs/dbraw/zinc/05/95/46/335059546.db2.gz WVPKRDAUXGHWMV-JQWIXIFHSA-N 3 2 264.373 0.312 20 0 CCADLP Cc1cnn(C)c1C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000286597608 388843585 /nfs/dbraw/zinc/84/35/85/388843585.db2.gz QXBKWLQDFCMZJV-GFCCVEGCSA-N 2 2 279.388 0.158 20 0 CCADLP Cc1cnn(C)c1C[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000286597608 388843590 /nfs/dbraw/zinc/84/35/90/388843590.db2.gz QXBKWLQDFCMZJV-GFCCVEGCSA-N 2 2 279.388 0.158 20 0 CCADLP CC[N@@H+](CCO)CC[NH2+]Cc1ccc(C(=O)OC)cc1 ZINC000187569230 388886169 /nfs/dbraw/zinc/88/61/69/388886169.db2.gz OONZJCWYTQHNNR-UHFFFAOYSA-N 2 2 280.368 0.877 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(CCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000189572987 388964364 /nfs/dbraw/zinc/96/43/64/388964364.db2.gz ACLNHWFOXOAWNC-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(CCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000189572987 388964366 /nfs/dbraw/zinc/96/43/66/388964366.db2.gz ACLNHWFOXOAWNC-HUUCEWRRSA-N 2 2 285.432 0.096 20 0 CCADLP CNC(=O)NC(=O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075860711 388985215 /nfs/dbraw/zinc/98/52/15/388985215.db2.gz UCZCKDCOOKHULP-LLVKDONJSA-N 2 2 270.377 0.248 20 0 CCADLP CNC(=O)NC(=O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075860711 388985216 /nfs/dbraw/zinc/98/52/16/388985216.db2.gz UCZCKDCOOKHULP-LLVKDONJSA-N 2 2 270.377 0.248 20 0 CCADLP CNC(=O)NC(=O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000075860711 388985218 /nfs/dbraw/zinc/98/52/18/388985218.db2.gz UCZCKDCOOKHULP-LLVKDONJSA-N 2 2 270.377 0.248 20 0 CCADLP CNC(=O)NC(=O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000075860711 388985219 /nfs/dbraw/zinc/98/52/19/388985219.db2.gz UCZCKDCOOKHULP-LLVKDONJSA-N 2 2 270.377 0.248 20 0 CCADLP C[N@@H+]1CC[C@]2(CCN(C(=O)C=Cc3c[nH]c[nH+]3)C2)C1 ZINC000293843600 388988235 /nfs/dbraw/zinc/98/82/35/388988235.db2.gz JEZXDTHCSCOHJW-HSWBROFVSA-N 2 2 260.341 0.977 20 0 CCADLP C[N@H+]1CC[C@]2(CCN(C(=O)C=Cc3c[nH]c[nH+]3)C2)C1 ZINC000293843600 388988236 /nfs/dbraw/zinc/98/82/36/388988236.db2.gz JEZXDTHCSCOHJW-HSWBROFVSA-N 2 2 260.341 0.977 20 0 CCADLP COCC[N@H+](C)CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085638076 389006723 /nfs/dbraw/zinc/00/67/23/389006723.db2.gz UMVZGRZLTCDICX-AVGNSLFASA-N 2 2 256.390 0.968 20 0 CCADLP COCC[N@@H+](C)CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000085638076 389006726 /nfs/dbraw/zinc/00/67/26/389006726.db2.gz UMVZGRZLTCDICX-AVGNSLFASA-N 2 2 256.390 0.968 20 0 CCADLP CNC(=O)C[C@@H](C)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000298430721 389018719 /nfs/dbraw/zinc/01/87/19/389018719.db2.gz WHZZUMOIPKLMEA-LLVKDONJSA-N 2 2 260.341 0.991 20 0 CCADLP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000336794638 389019910 /nfs/dbraw/zinc/01/99/10/389019910.db2.gz DMGRFWCHGLGGNI-UTUOFQBUSA-N 2 2 257.378 0.027 20 0 CCADLP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000336794638 389019913 /nfs/dbraw/zinc/01/99/13/389019913.db2.gz DMGRFWCHGLGGNI-UTUOFQBUSA-N 2 2 257.378 0.027 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@](O)(C(F)(F)F)C1)C1CC1 ZINC000336830103 389026198 /nfs/dbraw/zinc/02/61/98/389026198.db2.gz BLGZIINFVFAJBQ-VXGBXAGGSA-N 2 2 296.333 0.831 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@](O)(C(F)(F)F)C1)C1CC1 ZINC000336830103 389026201 /nfs/dbraw/zinc/02/62/01/389026201.db2.gz BLGZIINFVFAJBQ-VXGBXAGGSA-N 2 2 296.333 0.831 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@](O)(C(F)(F)F)C1)C1CC1 ZINC000336830103 389026205 /nfs/dbraw/zinc/02/62/05/389026205.db2.gz BLGZIINFVFAJBQ-VXGBXAGGSA-N 2 2 296.333 0.831 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@](O)(C(F)(F)F)C1)C1CC1 ZINC000336830103 389026208 /nfs/dbraw/zinc/02/62/08/389026208.db2.gz BLGZIINFVFAJBQ-VXGBXAGGSA-N 2 2 296.333 0.831 20 0 CCADLP CC[NH+](CC)CC(=O)N1CCN(c2cc(C)[nH+]cn2)CC1 ZINC000301228870 389048170 /nfs/dbraw/zinc/04/81/70/389048170.db2.gz DJQQZPGJKGMUDV-UHFFFAOYSA-N 2 2 291.399 0.775 20 0 CCADLP CC(C)OCC[NH+]1CCN(CC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000192751030 389051729 /nfs/dbraw/zinc/05/17/29/389051729.db2.gz GZQOVMGYYHDHFN-INIZCTEOSA-N 2 2 299.459 0.750 20 0 CCADLP CC(C)OCC[NH+]1CCN(CC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000192751030 389051732 /nfs/dbraw/zinc/05/17/32/389051732.db2.gz GZQOVMGYYHDHFN-INIZCTEOSA-N 2 2 299.459 0.750 20 0 CCADLP O=C(NCCC[NH+]1CCCCC1)NCC[NH+]1CCOCC1 ZINC000192905443 389057798 /nfs/dbraw/zinc/05/77/98/389057798.db2.gz QJAYVYYWYDLGFR-UHFFFAOYSA-N 2 2 298.431 0.494 20 0 CCADLP CC(C)[C@H]1CN(C(=O)C(C)(C)[NH+]2CCOCC2)CC[N@@H+]1C ZINC000338209861 389090733 /nfs/dbraw/zinc/09/07/33/389090733.db2.gz UMHPSMZSUGPUTF-CQSZACIVSA-N 2 2 297.443 0.896 20 0 CCADLP CC(C)[C@H]1CN(C(=O)C(C)(C)[NH+]2CCOCC2)CC[N@H+]1C ZINC000338209861 389090736 /nfs/dbraw/zinc/09/07/36/389090736.db2.gz UMHPSMZSUGPUTF-CQSZACIVSA-N 2 2 297.443 0.896 20 0 CCADLP C[C@H]1OCC[N@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H]1C ZINC000338268925 389101341 /nfs/dbraw/zinc/10/13/41/389101341.db2.gz ACROPRCNZLTBFM-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@H]1OCC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)[C@@H]1C ZINC000338268925 389101344 /nfs/dbraw/zinc/10/13/44/389101344.db2.gz ACROPRCNZLTBFM-CHWSQXEVSA-N 2 2 269.389 0.260 20 0 CCADLP CC(C)CN(CC(C)C)C(=O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000312054364 389106910 /nfs/dbraw/zinc/10/69/10/389106910.db2.gz YIHJMNPIQWCYSF-ZDUSSCGKSA-N 2 2 273.421 0.378 20 0 CCADLP CC(C)CN(CC(C)C)C(=O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000312054364 389106913 /nfs/dbraw/zinc/10/69/13/389106913.db2.gz YIHJMNPIQWCYSF-ZDUSSCGKSA-N 2 2 273.421 0.378 20 0 CCADLP CCOC[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000313307851 389112203 /nfs/dbraw/zinc/11/22/03/389112203.db2.gz ZSDBMDJBNCFKBV-LSDHHAIUSA-N 2 2 288.432 0.817 20 0 CCADLP CCOC[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000313307851 389112206 /nfs/dbraw/zinc/11/22/06/389112206.db2.gz ZSDBMDJBNCFKBV-LSDHHAIUSA-N 2 2 288.432 0.817 20 0 CCADLP CCOC[C@@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)CCOC ZINC000313307851 389112207 /nfs/dbraw/zinc/11/22/07/389112207.db2.gz ZSDBMDJBNCFKBV-LSDHHAIUSA-N 2 2 288.432 0.817 20 0 CCADLP CCOC[C@@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)CCOC ZINC000313307851 389112209 /nfs/dbraw/zinc/11/22/09/389112209.db2.gz ZSDBMDJBNCFKBV-LSDHHAIUSA-N 2 2 288.432 0.817 20 0 CCADLP CC(C)[C@@H](C)NC(=O)C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313352197 389113217 /nfs/dbraw/zinc/11/32/17/389113217.db2.gz OARASOACJMCIMV-VXGBXAGGSA-N 2 2 257.378 0.197 20 0 CCADLP CC(C)[C@@H](C)NC(=O)C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313352197 389113221 /nfs/dbraw/zinc/11/32/21/389113221.db2.gz OARASOACJMCIMV-VXGBXAGGSA-N 2 2 257.378 0.197 20 0 CCADLP CCC(CC)NC(=O)[C@H](C)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313395576 389114038 /nfs/dbraw/zinc/11/40/38/389114038.db2.gz PLOZETGWSMSJHR-WCQYABFASA-N 2 2 271.405 0.729 20 0 CCADLP CCC(CC)NC(=O)[C@H](C)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313395576 389114040 /nfs/dbraw/zinc/11/40/40/389114040.db2.gz PLOZETGWSMSJHR-WCQYABFASA-N 2 2 271.405 0.729 20 0 CCADLP CC[C@@H](C(N)=O)[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112201805 389119950 /nfs/dbraw/zinc/11/99/50/389119950.db2.gz AXEGERUNBLTIIK-OLZOCXBDSA-N 2 2 269.389 0.295 20 0 CCADLP CC[C@@H](C(N)=O)[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112201805 389119952 /nfs/dbraw/zinc/11/99/52/389119952.db2.gz AXEGERUNBLTIIK-OLZOCXBDSA-N 2 2 269.389 0.295 20 0 CCADLP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000356637469 389127019 /nfs/dbraw/zinc/12/70/19/389127019.db2.gz DRGQNZYODHJLFD-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP CCC[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000356637469 389127021 /nfs/dbraw/zinc/12/70/21/389127021.db2.gz DRGQNZYODHJLFD-AWEZNQCLSA-N 2 2 283.416 0.651 20 0 CCADLP CC[N@@H+]1CC[C@H]2OCCN(CC[NH+]3CCOCC3)[C@@H]2C1 ZINC000339392507 389132439 /nfs/dbraw/zinc/13/24/39/389132439.db2.gz HNWPMXIZKONQDH-HUUCEWRRSA-N 2 2 283.416 0.114 20 0 CCADLP CC[N@H+]1CC[C@H]2OCCN(CC[NH+]3CCOCC3)[C@@H]2C1 ZINC000339392507 389132442 /nfs/dbraw/zinc/13/24/42/389132442.db2.gz HNWPMXIZKONQDH-HUUCEWRRSA-N 2 2 283.416 0.114 20 0 CCADLP CCNC(=O)NC(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118841734 389137664 /nfs/dbraw/zinc/13/76/64/389137664.db2.gz NNFURRNMMDTKEP-NSHDSACASA-N 2 2 270.377 0.106 20 0 CCADLP CCNC(=O)NC(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000118841734 389137666 /nfs/dbraw/zinc/13/76/66/389137666.db2.gz NNFURRNMMDTKEP-NSHDSACASA-N 2 2 270.377 0.106 20 0 CCADLP CCNC(=O)NC(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000118841734 389137668 /nfs/dbraw/zinc/13/76/68/389137668.db2.gz NNFURRNMMDTKEP-NSHDSACASA-N 2 2 270.377 0.106 20 0 CCADLP CCNC(=O)NC(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000118841734 389137670 /nfs/dbraw/zinc/13/76/70/389137670.db2.gz NNFURRNMMDTKEP-NSHDSACASA-N 2 2 270.377 0.106 20 0 CCADLP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000237499861 389190237 /nfs/dbraw/zinc/19/02/37/389190237.db2.gz SLEYPWBDUPMJBB-ZFWWWQNUSA-N 2 2 282.432 0.128 20 0 CCADLP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1c[nH+]cn1C ZINC000360095922 389190677 /nfs/dbraw/zinc/19/06/77/389190677.db2.gz BIDFRWLDVGBJLM-YPMHNXCESA-N 2 2 279.388 0.902 20 0 CCADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1c[nH+]cn1C ZINC000360095922 389190681 /nfs/dbraw/zinc/19/06/81/389190681.db2.gz BIDFRWLDVGBJLM-YPMHNXCESA-N 2 2 279.388 0.902 20 0 CCADLP CN(CC[NH+]1CCCC1)C(=O)NCc1c[nH+]cn1C ZINC000360289000 389195801 /nfs/dbraw/zinc/19/58/01/389195801.db2.gz IRSIPHLRYWSXOQ-UHFFFAOYSA-N 2 2 265.361 0.657 20 0 CCADLP CC(C)[N@@H+](CC(N)=O)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000227800273 389152449 /nfs/dbraw/zinc/15/24/49/389152449.db2.gz LVAUOSWLRYHJHC-KBPBESRZSA-N 2 2 279.384 0.113 20 0 CCADLP CC(C)[N@H+](CC(N)=O)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000227800273 389152452 /nfs/dbraw/zinc/15/24/52/389152452.db2.gz LVAUOSWLRYHJHC-KBPBESRZSA-N 2 2 279.384 0.113 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@@H]1CSC[NH2+]1)[NH+]1CCOCC1 ZINC000236664125 389170915 /nfs/dbraw/zinc/17/09/15/389170915.db2.gz DJWDKZICBAPLDG-RYUDHWBXSA-N 2 2 287.429 0.122 20 0 CCADLP C[C@@H](CCS(C)(=O)=O)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000127136547 389172977 /nfs/dbraw/zinc/17/29/77/389172977.db2.gz LOCMLJVAUQHJBN-TUAOUCFPSA-N 2 2 262.419 0.882 20 0 CCADLP C[C@@H](CCS(C)(=O)=O)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000127136547 389172979 /nfs/dbraw/zinc/17/29/79/389172979.db2.gz LOCMLJVAUQHJBN-TUAOUCFPSA-N 2 2 262.419 0.882 20 0 CCADLP CC1(C)CC[C@H]1[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000342722036 389248475 /nfs/dbraw/zinc/24/84/75/389248475.db2.gz DKNOXPZFVMYRRY-ZIAGYGMSSA-N 2 2 295.427 0.698 20 0 CCADLP COC(=O)CC[C@@H]([NH3+])C(=O)NCc1ccc[nH+]c1N(C)C ZINC000342724841 389249323 /nfs/dbraw/zinc/24/93/23/389249323.db2.gz IFHPQXQIULPALW-LLVKDONJSA-N 2 2 294.355 0.044 20 0 CCADLP CC(C)[N@@H+]1CC[C@H](N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000342941696 389256023 /nfs/dbraw/zinc/25/60/23/389256023.db2.gz KITLBPQYLWYXRB-LSDHHAIUSA-N 2 2 285.432 0.094 20 0 CCADLP CC(C)[N@H+]1CC[C@H](N(C)C[C@@H](O)C[NH+]2CCOCC2)C1 ZINC000342941696 389256025 /nfs/dbraw/zinc/25/60/25/389256025.db2.gz KITLBPQYLWYXRB-LSDHHAIUSA-N 2 2 285.432 0.094 20 0 CCADLP CC(C)N1CC[C@@H]([N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000245482237 389210575 /nfs/dbraw/zinc/21/05/75/389210575.db2.gz ZFLQJEWPBFPZAJ-LSDHHAIUSA-N 2 2 295.427 0.650 20 0 CCADLP CC(C)N1CC[C@@H]([N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000245482237 389210578 /nfs/dbraw/zinc/21/05/78/389210578.db2.gz ZFLQJEWPBFPZAJ-LSDHHAIUSA-N 2 2 295.427 0.650 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1CCn1cc[nH+]c1 ZINC000131300342 389212074 /nfs/dbraw/zinc/21/20/74/389212074.db2.gz WLJRZOCUPJSVNJ-MNOVXSKESA-N 2 2 253.302 0.145 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1CCn1cc[nH+]c1 ZINC000131300342 389212076 /nfs/dbraw/zinc/21/20/76/389212076.db2.gz WLJRZOCUPJSVNJ-MNOVXSKESA-N 2 2 253.302 0.145 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)N(C)C2)C[N@@H+]1C1CC1 ZINC000131679721 389216468 /nfs/dbraw/zinc/21/64/68/389216468.db2.gz HISGNCOWITWMPF-IJLUTSLNSA-N 2 2 251.374 0.822 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)N(C)C2)C[N@H+]1C1CC1 ZINC000131679721 389216470 /nfs/dbraw/zinc/21/64/70/389216470.db2.gz HISGNCOWITWMPF-IJLUTSLNSA-N 2 2 251.374 0.822 20 0 CCADLP COc1c[nH+]ccc1N1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000361531369 389218859 /nfs/dbraw/zinc/21/88/59/389218859.db2.gz QZBQMIUUWKKFIC-CYBMUJFWSA-N 2 2 290.367 0.443 20 0 CCADLP CN(C)C(=O)N1CCC([NH2+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330270100 389219647 /nfs/dbraw/zinc/21/96/47/389219647.db2.gz SWKDORGOFBOAJH-CYBMUJFWSA-N 2 2 291.399 0.934 20 0 CCADLP C[C@@H]1CC[N@H+](C)CCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000343401837 389265825 /nfs/dbraw/zinc/26/58/25/389265825.db2.gz MEAOWNPRLYWSAV-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP C[C@@H]1CC[N@@H+](C)CCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000343401837 389265826 /nfs/dbraw/zinc/26/58/26/389265826.db2.gz MEAOWNPRLYWSAV-OLZOCXBDSA-N 2 2 276.384 0.998 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246334110 389227880 /nfs/dbraw/zinc/22/78/80/389227880.db2.gz HGWQKXLYWNOHEJ-NEPJUHHUSA-N 2 2 284.404 0.493 20 0 CCADLP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000246334110 389227882 /nfs/dbraw/zinc/22/78/82/389227882.db2.gz HGWQKXLYWNOHEJ-NEPJUHHUSA-N 2 2 284.404 0.493 20 0 CCADLP CCN(C)C(=O)C[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000264172805 389310193 /nfs/dbraw/zinc/31/01/93/389310193.db2.gz IGPGFWJNMYBMNN-UHFFFAOYSA-N 2 2 292.383 0.691 20 0 CCADLP CO[C@H](C)c1noc(C[N@@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000521437099 262338140 /nfs/dbraw/zinc/33/81/40/262338140.db2.gz VIYPEZHIXUMSGN-LLVKDONJSA-N 2 2 283.376 0.114 20 0 CCADLP CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1[nH+]ccn1C ZINC000264205351 389312649 /nfs/dbraw/zinc/31/26/49/389312649.db2.gz RAGDZQCVVWQGIO-LLVKDONJSA-N 2 2 267.377 0.950 20 0 CCADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCc1[nH+]ccn1C ZINC000264205351 389312651 /nfs/dbraw/zinc/31/26/51/389312651.db2.gz RAGDZQCVVWQGIO-LLVKDONJSA-N 2 2 267.377 0.950 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)N2CCC[NH2+]CC2)CCO1 ZINC000332029496 389320198 /nfs/dbraw/zinc/32/01/98/389320198.db2.gz SKWFZIGSILFQJR-UHFFFAOYSA-N 2 2 284.404 0.102 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)N2CCC[NH2+]CC2)CCO1 ZINC000332029496 389320201 /nfs/dbraw/zinc/32/02/01/389320201.db2.gz SKWFZIGSILFQJR-UHFFFAOYSA-N 2 2 284.404 0.102 20 0 CCADLP CN(CC[NH+]1CCCC1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000156371510 389325257 /nfs/dbraw/zinc/32/52/57/389325257.db2.gz FRZXUGUZQSMLOT-ZDUSSCGKSA-N 2 2 276.384 1.000 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346995216 389343741 /nfs/dbraw/zinc/34/37/41/389343741.db2.gz VORLCJUIFKBETI-LSDHHAIUSA-N 3 2 294.443 0.224 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346995216 389343744 /nfs/dbraw/zinc/34/37/44/389343744.db2.gz VORLCJUIFKBETI-LSDHHAIUSA-N 3 2 294.443 0.224 20 0 CCADLP C([C@H]1CC[N@H+](C[C@H]2CCC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC000346994077 389343822 /nfs/dbraw/zinc/34/38/22/389343822.db2.gz BREUTAZNTGSHQB-LSDHHAIUSA-N 3 2 267.417 0.640 20 0 CCADLP C([C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC000346994077 389343824 /nfs/dbraw/zinc/34/38/24/389343824.db2.gz BREUTAZNTGSHQB-LSDHHAIUSA-N 3 2 267.417 0.640 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)C[C@@H](C)O1 ZINC000152356457 389288832 /nfs/dbraw/zinc/28/88/32/389288832.db2.gz SFJQODVNNAVJGU-RBSFLKMASA-N 2 2 297.443 0.896 20 0 CCADLP C[C@@H]1CN(C(=O)C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)C[C@@H](C)O1 ZINC000152356457 389288833 /nfs/dbraw/zinc/28/88/33/389288833.db2.gz SFJQODVNNAVJGU-RBSFLKMASA-N 2 2 297.443 0.896 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)C[C@@H](C)O1 ZINC000152356457 389288834 /nfs/dbraw/zinc/28/88/34/389288834.db2.gz SFJQODVNNAVJGU-RBSFLKMASA-N 2 2 297.443 0.896 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)C[C@@H](C)O1 ZINC000152356457 389288836 /nfs/dbraw/zinc/28/88/36/389288836.db2.gz SFJQODVNNAVJGU-RBSFLKMASA-N 2 2 297.443 0.896 20 0 CCADLP CC(C)[N@H+](C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000152565041 389291479 /nfs/dbraw/zinc/29/14/79/389291479.db2.gz XNSROUTVBYHUPT-LBPRGKRZSA-N 2 2 264.373 0.902 20 0 CCADLP CC(C)[N@@H+](C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000152565041 389291482 /nfs/dbraw/zinc/29/14/82/389291482.db2.gz XNSROUTVBYHUPT-LBPRGKRZSA-N 2 2 264.373 0.902 20 0 CCADLP CC(C)[C@@H](O)C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000366606309 389307998 /nfs/dbraw/zinc/30/79/98/389307998.db2.gz YZDRXYANZUKWCD-KBPBESRZSA-N 2 2 283.416 0.417 20 0 CCADLP CC(C)[C@@H](O)C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000366606309 389308001 /nfs/dbraw/zinc/30/80/01/389308001.db2.gz YZDRXYANZUKWCD-KBPBESRZSA-N 2 2 283.416 0.417 20 0 CCADLP COCC[N@H+](C)CCNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368196457 389373362 /nfs/dbraw/zinc/37/33/62/389373362.db2.gz SYDXIJSUMAEVCG-LLVKDONJSA-N 2 2 295.387 0.144 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368196457 389373363 /nfs/dbraw/zinc/37/33/63/389373363.db2.gz SYDXIJSUMAEVCG-LLVKDONJSA-N 2 2 295.387 0.144 20 0 CCADLP COCC[N@H+](C)CCNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368196457 389373366 /nfs/dbraw/zinc/37/33/66/389373366.db2.gz SYDXIJSUMAEVCG-LLVKDONJSA-N 2 2 295.387 0.144 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368196457 389373369 /nfs/dbraw/zinc/37/33/69/389373369.db2.gz SYDXIJSUMAEVCG-LLVKDONJSA-N 2 2 295.387 0.144 20 0 CCADLP COCCC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370831854 389416924 /nfs/dbraw/zinc/41/69/24/389416924.db2.gz WEJRYXUHRBBPAI-AWEZNQCLSA-N 2 2 283.416 0.650 20 0 CCADLP COCCC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370831854 389416928 /nfs/dbraw/zinc/41/69/28/389416928.db2.gz WEJRYXUHRBBPAI-AWEZNQCLSA-N 2 2 283.416 0.650 20 0 CCADLP Cc1cc(N2CCC[N@@H+](CC(=O)N(C)C)CC2)nc(C)[nH+]1 ZINC000368724952 389385393 /nfs/dbraw/zinc/38/53/93/389385393.db2.gz PHNYBSXFJREBRI-UHFFFAOYSA-N 2 2 291.399 0.694 20 0 CCADLP Cc1cc(N2CCC[N@H+](CC(=O)N(C)C)CC2)nc(C)[nH+]1 ZINC000368724952 389385398 /nfs/dbraw/zinc/38/53/98/389385398.db2.gz PHNYBSXFJREBRI-UHFFFAOYSA-N 2 2 291.399 0.694 20 0 CCADLP CSCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369272871 389392842 /nfs/dbraw/zinc/39/28/42/389392842.db2.gz DESWVJFHKCTUPF-NSHDSACASA-N 2 2 271.430 0.634 20 0 CCADLP CSCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369272871 389392844 /nfs/dbraw/zinc/39/28/44/389392844.db2.gz DESWVJFHKCTUPF-NSHDSACASA-N 2 2 271.430 0.634 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1CC[C@H](C(N)=O)CC1 ZINC000421364173 389359922 /nfs/dbraw/zinc/35/99/22/389359922.db2.gz RKWXRGGZGIMVGR-CYDGBPFRSA-N 2 2 253.390 0.818 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1CC[C@H](C(N)=O)CC1 ZINC000421364173 389359929 /nfs/dbraw/zinc/35/99/29/389359929.db2.gz RKWXRGGZGIMVGR-CYDGBPFRSA-N 2 2 253.390 0.818 20 0 CCADLP CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])c1 ZINC000422731007 389460909 /nfs/dbraw/zinc/46/09/09/389460909.db2.gz GCHLCUMHMJGYSO-CHWSQXEVSA-N 2 2 283.397 0.564 20 0 CCADLP CC[C@H]([NH2+]Cc1ccc(C(N)=O)nc1)[C@@H]1CCC[NH2+]1 ZINC000422860081 389494112 /nfs/dbraw/zinc/49/41/12/389494112.db2.gz HXNOYHROTOVFQZ-RYUDHWBXSA-N 2 2 262.357 0.801 20 0 CCADLP CCOC(=O)[C@H]1[NH2+]CC[C@H]1NCC1([NH+](C)C)CCCC1 ZINC000422785242 389474677 /nfs/dbraw/zinc/47/46/77/389474677.db2.gz NBXCBXKEEHBZJD-OLZOCXBDSA-N 2 2 283.416 0.744 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCC[N@@H+]1CCC[C@H](C)C1 ZINC000422860704 389494233 /nfs/dbraw/zinc/49/42/33/389494233.db2.gz MRQMNVIBBUOLRJ-MELADBBJSA-N 2 2 283.416 0.602 20 0 CCADLP CCOC(=O)[C@@H]1[NH2+]CC[C@@H]1NCC[N@H+]1CCC[C@H](C)C1 ZINC000422860704 389494235 /nfs/dbraw/zinc/49/42/35/389494235.db2.gz MRQMNVIBBUOLRJ-MELADBBJSA-N 2 2 283.416 0.602 20 0 CCADLP CC(C)[C@H](C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)N1CCOCC1 ZINC000422809862 389479139 /nfs/dbraw/zinc/47/91/39/389479139.db2.gz SNDHGMOONOVSON-OAGGEKHMSA-N 2 2 299.459 0.700 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000422825488 389484106 /nfs/dbraw/zinc/48/41/06/389484106.db2.gz PUQCQUNBMZZAEA-CABCVRRESA-N 2 2 297.443 0.993 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000422825488 389484108 /nfs/dbraw/zinc/48/41/08/389484108.db2.gz PUQCQUNBMZZAEA-CABCVRRESA-N 2 2 297.443 0.993 20 0 CCADLP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422850708 389491725 /nfs/dbraw/zinc/49/17/25/389491725.db2.gz DITWGKKOZGETII-PMPSAXMXSA-N 3 2 299.459 0.700 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC(C)(C)CC[NH3+] ZINC000422592971 389444067 /nfs/dbraw/zinc/44/40/67/389444067.db2.gz PCOCUBHECUUOLE-NSHDSACASA-N 2 2 272.393 0.134 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000422700899 389453961 /nfs/dbraw/zinc/45/39/61/389453961.db2.gz COHOJSFGINPFIY-GJZGRUSLSA-N 2 2 297.443 0.945 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000422700899 389453965 /nfs/dbraw/zinc/45/39/65/389453965.db2.gz COHOJSFGINPFIY-GJZGRUSLSA-N 2 2 297.443 0.945 20 0 CCADLP C([NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)[C@H]1CCCCO1 ZINC000422707199 389454928 /nfs/dbraw/zinc/45/49/28/389454928.db2.gz WBDAXECEMSKYKE-MGPQQGTHSA-N 2 2 254.374 0.912 20 0 CCADLP C[C@H](C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)CN1CC[NH+](C)CC1 ZINC000422709737 389455984 /nfs/dbraw/zinc/45/59/84/389455984.db2.gz DVWXFBTZWCNDTA-OWCLPIDISA-N 3 2 282.476 0.990 20 0 CCADLP CC(C)(C)NC(=O)CC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422958753 389511160 /nfs/dbraw/zinc/51/11/60/389511160.db2.gz PTPPPSGDUNYPHJ-TZMCWYRMSA-N 2 2 283.416 0.648 20 0 CCADLP CC(C)[C@@H](C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)N1CC[NH+](C)CC1 ZINC000422968959 389511423 /nfs/dbraw/zinc/51/14/23/389511423.db2.gz YFGUVVJAWQMMPL-BZUAXINKSA-N 3 2 282.476 0.989 20 0 CCADLP COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000275533511 389512094 /nfs/dbraw/zinc/51/20/94/389512094.db2.gz KQHGJNFODBYNKW-QWHCGFSZSA-N 2 2 281.356 0.580 20 0 CCADLP COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1CCCn1cc[nH+]c1C ZINC000275533511 389512098 /nfs/dbraw/zinc/51/20/98/389512098.db2.gz KQHGJNFODBYNKW-QWHCGFSZSA-N 2 2 281.356 0.580 20 0 CCADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000422980202 389515783 /nfs/dbraw/zinc/51/57/83/389515783.db2.gz OVEYXJCJHPIDLO-WMLDXEAASA-N 3 2 289.423 0.821 20 0 CCADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000422980202 389515786 /nfs/dbraw/zinc/51/57/86/389515786.db2.gz OVEYXJCJHPIDLO-WMLDXEAASA-N 3 2 289.423 0.821 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC000174207177 389516879 /nfs/dbraw/zinc/51/68/79/389516879.db2.gz PSEGCBJIPHXFIG-ZDUSSCGKSA-N 2 2 281.400 0.799 20 0 CCADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC000174207177 389516880 /nfs/dbraw/zinc/51/68/80/389516880.db2.gz PSEGCBJIPHXFIG-ZDUSSCGKSA-N 2 2 281.400 0.799 20 0 CCADLP C[C@@H](CNC(=O)C=Cc1c[nH]c[nH+]1)C[NH+]1CCOCC1 ZINC000276674392 389526816 /nfs/dbraw/zinc/52/68/16/389526816.db2.gz ZPEJTNDGGWPXMW-JDGPPOGSSA-N 2 2 278.356 0.507 20 0 CCADLP COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)C1 ZINC000423085674 389531572 /nfs/dbraw/zinc/53/15/72/389531572.db2.gz LCQNMPUZFQTMJR-YVECIDJPSA-N 2 2 270.373 0.685 20 0 CCADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000423099103 389533911 /nfs/dbraw/zinc/53/39/11/389533911.db2.gz AHIDLHTYPYRCMV-BPUTZDHNSA-N 2 2 278.396 0.947 20 0 CCADLP O[C@@H](C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000423100543 389535481 /nfs/dbraw/zinc/53/54/81/389535481.db2.gz BWGCCYBZIWLOSX-BRWVUGGUSA-N 2 2 290.407 0.947 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H](CO)C[C@H](O)C(C)(C)C ZINC000423113857 389536230 /nfs/dbraw/zinc/53/62/30/389536230.db2.gz ZKIIKXZSHFUFGU-RQJABVFESA-N 2 2 288.432 0.501 20 0 CCADLP OC[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000423141190 389541656 /nfs/dbraw/zinc/54/16/56/389541656.db2.gz ONGQAQWBGDAAAX-IHRRRGAJSA-N 2 2 254.374 0.362 20 0 CCADLP CC[C@H]([NH2+][C@H](C)C[C@@H]1COCC[NH2+]1)[C@H](O)C(F)F ZINC000423153467 389546162 /nfs/dbraw/zinc/54/61/62/389546162.db2.gz GPUITYLZVHUVAF-ZNSHCXBVSA-N 2 2 266.332 0.748 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCCN2CC[NH2+]CC2)C[N@@H+]1C1CC1 ZINC000423176368 389549214 /nfs/dbraw/zinc/54/92/14/389549214.db2.gz GZROZXGHACSHSC-KGLIPLIRSA-N 3 2 266.433 0.497 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCCN2CC[NH2+]CC2)C[N@H+]1C1CC1 ZINC000423176368 389549215 /nfs/dbraw/zinc/54/92/15/389549215.db2.gz GZROZXGHACSHSC-KGLIPLIRSA-N 3 2 266.433 0.497 20 0 CCADLP C[C@]1(F)C[NH2+]CCN(C(=O)c2coc(C[NH3+])c2)C1 ZINC000335341586 389550034 /nfs/dbraw/zinc/55/00/34/389550034.db2.gz MQNIRQVQONMUCE-LBPRGKRZSA-N 2 2 255.293 0.512 20 0 CCADLP C[C@@H]([NH3+])CCC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000277542991 389556288 /nfs/dbraw/zinc/55/62/88/389556288.db2.gz XCNMIEDUYRWRSZ-SNVBAGLBSA-N 2 2 250.346 0.963 20 0 CCADLP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374200452 389556775 /nfs/dbraw/zinc/55/67/75/389556775.db2.gz PUOIKTNJHJKPAY-SNVBAGLBSA-N 2 2 293.371 0.823 20 0 CCADLP CCCNC(=O)NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374210077 389558684 /nfs/dbraw/zinc/55/86/84/389558684.db2.gz SSTBMHYCIVUGCA-UHFFFAOYSA-N 2 2 293.371 0.825 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCO[C@@H](C(C)C)C2)CC1 ZINC000351093663 389563691 /nfs/dbraw/zinc/56/36/91/389563691.db2.gz BKERKUAVWAVWQZ-LSDHHAIUSA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCO[C@@H](C(C)C)C2)CC1 ZINC000351093663 389563694 /nfs/dbraw/zinc/56/36/94/389563694.db2.gz BKERKUAVWAVWQZ-LSDHHAIUSA-N 2 2 297.443 0.896 20 0 CCADLP CCO[C@H]1C[C@@H]([NH2+]CC[NH2+]CCOC)C12CCOCC2 ZINC000423328682 389565947 /nfs/dbraw/zinc/56/59/47/389565947.db2.gz LCLSFFXAHWNJHV-KGLIPLIRSA-N 2 2 286.416 0.786 20 0 CCADLP C[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)C1C[NH2+]C1 ZINC000422913164 389504999 /nfs/dbraw/zinc/50/49/99/389504999.db2.gz PDNYPEDRIUCQLS-NSHDSACASA-N 2 2 262.357 0.938 20 0 CCADLP CN(C)c1[nH+]cc(C[NH2+]C[C@](C)(O)C(F)(F)F)n1C ZINC000414365390 389612449 /nfs/dbraw/zinc/61/24/49/389612449.db2.gz LGZRCEDEDUGGAW-JTQLQIEISA-N 2 2 280.294 0.889 20 0 CCADLP CC(C)N1C[C@H]([NH2+]Cc2c[nH+]c(N(C)C)n2C)CC1=O ZINC000414362871 389612582 /nfs/dbraw/zinc/61/25/82/389612582.db2.gz WMAASJANNIPYIF-LLVKDONJSA-N 2 2 279.388 0.585 20 0 CCADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCc1c[nH+]cn1C ZINC000336030201 389621124 /nfs/dbraw/zinc/62/11/24/389621124.db2.gz IJOAQBQHSMWPJW-ZDUSSCGKSA-N 2 2 279.388 0.902 20 0 CCADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1c[nH+]cn1C ZINC000336030201 389621129 /nfs/dbraw/zinc/62/11/29/389621129.db2.gz IJOAQBQHSMWPJW-ZDUSSCGKSA-N 2 2 279.388 0.902 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1CCN(C)C(=O)C1 ZINC000424330276 389623306 /nfs/dbraw/zinc/62/33/06/389623306.db2.gz RRNXHOUIQPVUGT-MBNYWOFBSA-N 2 2 265.401 0.927 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1CCN(C)C(=O)C1 ZINC000424330276 389623309 /nfs/dbraw/zinc/62/33/09/389623309.db2.gz RRNXHOUIQPVUGT-MBNYWOFBSA-N 2 2 265.401 0.927 20 0 CCADLP CC[C@@H](C)NC(=O)C[NH+]1CCN(CC[NH2+]C(C)(C)C)CC1 ZINC000414669530 389626025 /nfs/dbraw/zinc/62/60/25/389626025.db2.gz BOFYMONBBWAIKM-CQSZACIVSA-N 2 2 298.475 0.907 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000414673969 389626289 /nfs/dbraw/zinc/62/62/89/389626289.db2.gz ROPRINUIOHJFQE-OLZOCXBDSA-N 2 2 291.461 0.621 20 0 CCADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000414673969 389626295 /nfs/dbraw/zinc/62/62/95/389626295.db2.gz ROPRINUIOHJFQE-OLZOCXBDSA-N 2 2 291.461 0.621 20 0 CCADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)CCC[NH3+])C1 ZINC000414686351 389627108 /nfs/dbraw/zinc/62/71/08/389627108.db2.gz AFZZHRVSWVKEEM-GFCCVEGCSA-N 2 2 285.388 0.069 20 0 CCADLP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC[NH3+])C1 ZINC000414686351 389627115 /nfs/dbraw/zinc/62/71/15/389627115.db2.gz AFZZHRVSWVKEEM-GFCCVEGCSA-N 2 2 285.388 0.069 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000414701639 389627980 /nfs/dbraw/zinc/62/79/80/389627980.db2.gz ATHQFDULAMGZNG-ZIAGYGMSSA-N 3 2 282.432 0.256 20 0 CCADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000414701639 389627986 /nfs/dbraw/zinc/62/79/86/389627986.db2.gz ATHQFDULAMGZNG-ZIAGYGMSSA-N 3 2 282.432 0.256 20 0 CCADLP C[C@@H]1C[C@@H](C[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)CC[NH2+]1 ZINC000414707178 389629961 /nfs/dbraw/zinc/62/99/61/389629961.db2.gz YLPQRXMCOLKGBN-KGLIPLIRSA-N 3 2 277.416 0.915 20 0 CCADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000336383561 389634985 /nfs/dbraw/zinc/63/49/85/389634985.db2.gz JQHNTBLFJMZLDJ-SMDDNHRTSA-N 2 2 265.401 0.927 20 0 CCADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000336383561 389634988 /nfs/dbraw/zinc/63/49/88/389634988.db2.gz JQHNTBLFJMZLDJ-SMDDNHRTSA-N 2 2 265.401 0.927 20 0 CCADLP C[C@H]1COC(C)(C)C[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351628487 389639381 /nfs/dbraw/zinc/63/93/81/389639381.db2.gz JWQQQQCMTMTJPP-AAEUAGOBSA-N 2 2 256.390 0.941 20 0 CCADLP C[C@H]1COC(C)(C)C[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000351628487 389639385 /nfs/dbraw/zinc/63/93/85/389639385.db2.gz JWQQQQCMTMTJPP-AAEUAGOBSA-N 2 2 256.390 0.941 20 0 CCADLP C[C@H]1COC(C)(C)C[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351628487 389639387 /nfs/dbraw/zinc/63/93/87/389639387.db2.gz JWQQQQCMTMTJPP-AAEUAGOBSA-N 2 2 256.390 0.941 20 0 CCADLP C[C@H]1COC(C)(C)C[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351628487 389639390 /nfs/dbraw/zinc/63/93/90/389639390.db2.gz JWQQQQCMTMTJPP-AAEUAGOBSA-N 2 2 256.390 0.941 20 0 CCADLP COC(=O)CCn1nc(C)c(C[NH2+]C[C@@H]2CCC[NH2+]2)c1C ZINC000414841971 389640548 /nfs/dbraw/zinc/64/05/48/389640548.db2.gz IHXYVSXXLOFZEG-ZDUSSCGKSA-N 2 2 294.399 0.905 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCC[N@@H+]2CCOCC2(C)C)C1 ZINC000423371718 389574903 /nfs/dbraw/zinc/57/49/03/389574903.db2.gz HUOYZWRLFHGYMZ-OLZOCXBDSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@H]1CC[NH2+][C@H](C(=O)NCC[N@H+]2CCOCC2(C)C)C1 ZINC000423371718 389574911 /nfs/dbraw/zinc/57/49/11/389574911.db2.gz HUOYZWRLFHGYMZ-OLZOCXBDSA-N 2 2 283.416 0.602 20 0 CCADLP C[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335547079 389575010 /nfs/dbraw/zinc/57/50/10/389575010.db2.gz CSZDOBGZXKMDFE-VXGBXAGGSA-N 2 2 262.357 0.608 20 0 CCADLP C[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000335547079 389575015 /nfs/dbraw/zinc/57/50/15/389575015.db2.gz CSZDOBGZXKMDFE-VXGBXAGGSA-N 2 2 262.357 0.608 20 0 CCADLP C[C@@H](NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)[C@@H](C)[NH+]1CCOCC1 ZINC000423369374 389575303 /nfs/dbraw/zinc/57/53/03/389575303.db2.gz BUUDBVGNNWYCOB-SYQHCUMBSA-N 2 2 283.416 0.600 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000423396710 389578741 /nfs/dbraw/zinc/57/87/41/389578741.db2.gz SKCCGAVCODZENR-CYBMUJFWSA-N 2 2 297.443 0.992 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@H]2[NH2+]CCCC2(C)C)CCO1 ZINC000423396710 389578742 /nfs/dbraw/zinc/57/87/42/389578742.db2.gz SKCCGAVCODZENR-CYBMUJFWSA-N 2 2 297.443 0.992 20 0 CCADLP CCC(=O)N[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351443330 389583157 /nfs/dbraw/zinc/58/31/57/389583157.db2.gz NEHFKXLMOHCDHL-JSGCOSHPSA-N 2 2 283.416 0.432 20 0 CCADLP CCC(=O)N[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000351443330 389583160 /nfs/dbraw/zinc/58/31/60/389583160.db2.gz NEHFKXLMOHCDHL-JSGCOSHPSA-N 2 2 283.416 0.432 20 0 CCADLP CCC(=O)N[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000351443330 389583163 /nfs/dbraw/zinc/58/31/63/389583163.db2.gz NEHFKXLMOHCDHL-JSGCOSHPSA-N 2 2 283.416 0.432 20 0 CCADLP CCC(=O)N[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000351443330 389583166 /nfs/dbraw/zinc/58/31/66/389583166.db2.gz NEHFKXLMOHCDHL-JSGCOSHPSA-N 2 2 283.416 0.432 20 0 CCADLP CCC[N@H+](CC)CCNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000423433168 389586430 /nfs/dbraw/zinc/58/64/30/389586430.db2.gz MXWKXWMOKQCUOO-NSHDSACASA-N 2 2 270.402 0.991 20 0 CCADLP CCC[N@@H+](CC)CCNC(=O)[C@@H]([NH3+])c1cscn1 ZINC000423433168 389586434 /nfs/dbraw/zinc/58/64/34/389586434.db2.gz MXWKXWMOKQCUOO-NSHDSACASA-N 2 2 270.402 0.991 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000279557873 389588547 /nfs/dbraw/zinc/58/85/47/389588547.db2.gz YGKXNBFFFKXNJV-VIFPVBQESA-N 2 2 250.346 0.860 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000279557873 389588552 /nfs/dbraw/zinc/58/85/52/389588552.db2.gz YGKXNBFFFKXNJV-VIFPVBQESA-N 2 2 250.346 0.860 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000279557873 389588556 /nfs/dbraw/zinc/58/85/56/389588556.db2.gz YGKXNBFFFKXNJV-VIFPVBQESA-N 2 2 250.346 0.860 20 0 CCADLP Cc1[nH]c[nH+]c1CC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000279557873 389588559 /nfs/dbraw/zinc/58/85/59/389588559.db2.gz YGKXNBFFFKXNJV-VIFPVBQESA-N 2 2 250.346 0.860 20 0 CCADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423484624 389593618 /nfs/dbraw/zinc/59/36/18/389593618.db2.gz ABVLDQLLWYTKRV-QKPAOTATSA-N 3 2 280.460 0.790 20 0 CCADLP C[C@H](CC[NH3+])NC(=O)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000423504434 389596115 /nfs/dbraw/zinc/59/61/15/389596115.db2.gz GLFMTLBOWPWFTA-DGCLKSJQSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H](CC[NH3+])NC(=O)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000423504434 389596119 /nfs/dbraw/zinc/59/61/19/389596119.db2.gz GLFMTLBOWPWFTA-DGCLKSJQSA-N 2 2 269.389 0.341 20 0 CCADLP COc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCN2C)cc1O ZINC000423511179 389597747 /nfs/dbraw/zinc/59/77/47/389597747.db2.gz JXZFXZQIHLAOAG-DGCLKSJQSA-N 2 2 279.384 0.955 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCC1(C)CC[NH2+]CC1 ZINC000423512902 389597871 /nfs/dbraw/zinc/59/78/71/389597871.db2.gz QQVQJBAEJKWOQK-CQSZACIVSA-N 2 2 297.443 0.993 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCC1(C)CC[NH2+]CC1 ZINC000423512902 389597872 /nfs/dbraw/zinc/59/78/72/389597872.db2.gz QQVQJBAEJKWOQK-CQSZACIVSA-N 2 2 297.443 0.993 20 0 CCADLP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000423510577 389597915 /nfs/dbraw/zinc/59/79/15/389597915.db2.gz MOWHHDLCZGKSTM-ZIAGYGMSSA-N 2 2 282.432 0.223 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000351507560 389598944 /nfs/dbraw/zinc/59/89/44/389598944.db2.gz OXEKKYOKIFSNIX-RYUDHWBXSA-N 2 2 266.345 0.109 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)Cn2cc[nH+]c2)C1 ZINC000351507560 389598949 /nfs/dbraw/zinc/59/89/49/389598949.db2.gz OXEKKYOKIFSNIX-RYUDHWBXSA-N 2 2 266.345 0.109 20 0 CCADLP COC(=O)c1ccc(C[NH2+]C[C@H]2C[NH2+]CCN2C)cc1 ZINC000414967205 389649328 /nfs/dbraw/zinc/64/93/28/389649328.db2.gz PTINXBCZUQKSEX-CQSZACIVSA-N 2 2 277.368 0.466 20 0 CCADLP COc1cc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)cc(OC)c1 ZINC000414973672 389650944 /nfs/dbraw/zinc/65/09/44/389650944.db2.gz ZZNASEWJILXTQL-ZDUSSCGKSA-N 2 2 279.384 0.697 20 0 CCADLP C[N@@H+](Cc1cnn(Cc2ccccc2)c1)C[C@H](O)C[NH3+] ZINC000415062319 389654139 /nfs/dbraw/zinc/65/41/39/389654139.db2.gz YDTITJJVJSFTTJ-OAHLLOKOSA-N 2 2 274.368 0.683 20 0 CCADLP C[N@H+](Cc1cnn(Cc2ccccc2)c1)C[C@H](O)C[NH3+] ZINC000415062319 389654144 /nfs/dbraw/zinc/65/41/44/389654144.db2.gz YDTITJJVJSFTTJ-OAHLLOKOSA-N 2 2 274.368 0.683 20 0 CCADLP CC1(C)C[N@H+](CCNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CCO1 ZINC000375251488 389654657 /nfs/dbraw/zinc/65/46/57/389654657.db2.gz WAEACOILAQVBMQ-SWLSCSKDSA-N 2 2 281.400 0.213 20 0 CCADLP CC1(C)C[N@@H+](CCNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CCO1 ZINC000375251488 389654663 /nfs/dbraw/zinc/65/46/63/389654663.db2.gz WAEACOILAQVBMQ-SWLSCSKDSA-N 2 2 281.400 0.213 20 0 CCADLP COC(=O)C[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351715881 389664787 /nfs/dbraw/zinc/66/47/87/389664787.db2.gz KWBVFXFHEYBFGQ-CHWSQXEVSA-N 2 2 270.373 0.469 20 0 CCADLP COC(=O)C[C@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000351715881 389664788 /nfs/dbraw/zinc/66/47/88/389664788.db2.gz KWBVFXFHEYBFGQ-CHWSQXEVSA-N 2 2 270.373 0.469 20 0 CCADLP COC(=O)C[C@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000351715881 389664790 /nfs/dbraw/zinc/66/47/90/389664790.db2.gz KWBVFXFHEYBFGQ-CHWSQXEVSA-N 2 2 270.373 0.469 20 0 CCADLP COC(=O)C[C@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351715881 389664793 /nfs/dbraw/zinc/66/47/93/389664793.db2.gz KWBVFXFHEYBFGQ-CHWSQXEVSA-N 2 2 270.373 0.469 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C2CC2)CC[N@H+]1CCO ZINC000427209934 389680582 /nfs/dbraw/zinc/68/05/82/389680582.db2.gz AHVVVKNLRJXYGM-TZMCWYRMSA-N 2 2 281.400 0.138 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC[NH+]1CCO ZINC000427209934 389680585 /nfs/dbraw/zinc/68/05/85/389680585.db2.gz AHVVVKNLRJXYGM-TZMCWYRMSA-N 2 2 281.400 0.138 20 0 CCADLP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CC[NH+]1CCO ZINC000427209934 389680589 /nfs/dbraw/zinc/68/05/89/389680589.db2.gz AHVVVKNLRJXYGM-TZMCWYRMSA-N 2 2 281.400 0.138 20 0 CCADLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(=O)[nH]n1 ZINC000428216493 389686427 /nfs/dbraw/zinc/68/64/27/389686427.db2.gz PQDMPTMJLOYBRU-RYUDHWBXSA-N 2 2 280.372 0.944 20 0 CCADLP COc1cc[nH+]cc1NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000415572074 389692884 /nfs/dbraw/zinc/69/28/84/389692884.db2.gz UNRJJCIHMLOAET-VHSXEESVSA-N 2 2 292.339 0.238 20 0 CCADLP Cc1ccc(NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)c(C)[nH+]1 ZINC000415619120 389695036 /nfs/dbraw/zinc/69/50/36/389695036.db2.gz HFIGPVATLSDZSY-RNCFNFMXSA-N 2 2 290.367 0.751 20 0 CCADLP Cc1cc(N2CC[C@H]([N@@H+]3CC[C@H]([C@@H](C)[NH3+])C3)C2=O)n(C)n1 ZINC000351859206 389700874 /nfs/dbraw/zinc/70/08/74/389700874.db2.gz FWFPIIDGWRTIMR-AGIUHOORSA-N 2 2 291.399 0.503 20 0 CCADLP Cc1cc(N2CC[C@H]([N@H+]3CC[C@H]([C@@H](C)[NH3+])C3)C2=O)n(C)n1 ZINC000351859206 389700876 /nfs/dbraw/zinc/70/08/76/389700876.db2.gz FWFPIIDGWRTIMR-AGIUHOORSA-N 2 2 291.399 0.503 20 0 CCADLP COCCc1noc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000351861616 389701745 /nfs/dbraw/zinc/70/17/45/389701745.db2.gz LBRSFAUKWIAQMR-NXEZZACHSA-N 2 2 254.334 0.428 20 0 CCADLP COCCc1noc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000351861616 389701747 /nfs/dbraw/zinc/70/17/47/389701747.db2.gz LBRSFAUKWIAQMR-NXEZZACHSA-N 2 2 254.334 0.428 20 0 CCADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000387600730 389766734 /nfs/dbraw/zinc/76/67/34/389766734.db2.gz VVHUXIQVPYXCRM-NEPJUHHUSA-N 2 2 271.405 0.457 20 0 CCADLP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000387600730 389766738 /nfs/dbraw/zinc/76/67/38/389766738.db2.gz VVHUXIQVPYXCRM-NEPJUHHUSA-N 2 2 271.405 0.457 20 0 CCADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCOC(F)(F)F ZINC000398184944 389781089 /nfs/dbraw/zinc/78/10/89/389781089.db2.gz UKBYDMMOURHDNJ-DTWKUNHWSA-N 2 2 256.268 0.879 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000417010572 389788973 /nfs/dbraw/zinc/78/89/73/389788973.db2.gz PPRKXRBGMPJCRW-YPMHNXCESA-N 2 2 291.399 0.945 20 0 CCADLP C[C@@H]1CN(C(=O)NCc2ccc[nH+]c2N(C)C)CC[NH2+]1 ZINC000417024085 389790172 /nfs/dbraw/zinc/79/01/72/389790172.db2.gz WVQWFTZUDDKEKV-LLVKDONJSA-N 2 2 277.372 0.651 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000352356173 389796520 /nfs/dbraw/zinc/79/65/20/389796520.db2.gz GSWKWVVZYALMKP-UKRRQHHQSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000352356173 389796521 /nfs/dbraw/zinc/79/65/21/389796521.db2.gz GSWKWVVZYALMKP-UKRRQHHQSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@H](CN1CCOCC1)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000352356173 389796524 /nfs/dbraw/zinc/79/65/24/389796524.db2.gz GSWKWVVZYALMKP-UKRRQHHQSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@H](CN1CCOCC1)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000352356173 389796526 /nfs/dbraw/zinc/79/65/26/389796526.db2.gz GSWKWVVZYALMKP-UKRRQHHQSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@H](CN1CCOCC1)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000352356173 389796528 /nfs/dbraw/zinc/79/65/28/389796528.db2.gz GSWKWVVZYALMKP-UKRRQHHQSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@H](CN1CCOCC1)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000352356173 389796529 /nfs/dbraw/zinc/79/65/29/389796529.db2.gz GSWKWVVZYALMKP-UKRRQHHQSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@H]1C[C@H]1[N@@H+]1CCN(CC[NH+]2CCOCC2)C[C@@H](C)C1 ZINC000428989054 389731680 /nfs/dbraw/zinc/73/16/80/389731680.db2.gz CZUXORRMSJVACI-OWCLPIDISA-N 2 2 281.444 0.981 20 0 CCADLP C[C@H]1C[C@H]1[N@H+]1CCN(CC[NH+]2CCOCC2)C[C@@H](C)C1 ZINC000428989054 389731682 /nfs/dbraw/zinc/73/16/82/389731682.db2.gz CZUXORRMSJVACI-OWCLPIDISA-N 2 2 281.444 0.981 20 0 CCADLP CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C(C)(C)C[NH+]1CCCC1 ZINC000416332704 389734951 /nfs/dbraw/zinc/73/49/51/389734951.db2.gz INQQAOAFIFNCQF-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C(C)(C)C[NH+]1CCCC1 ZINC000416332704 389734953 /nfs/dbraw/zinc/73/49/53/389734953.db2.gz INQQAOAFIFNCQF-ZDUSSCGKSA-N 2 2 283.416 0.650 20 0 CCADLP CCc1[nH+]c2ccccc2n1CC(=O)NCC[NH2+]C ZINC000429095001 389736937 /nfs/dbraw/zinc/73/69/37/389736937.db2.gz RDGMANAWQHWWQU-UHFFFAOYSA-N 2 2 260.341 0.934 20 0 CCADLP C[C@@]1(CNC(=O)NCCCn2cc[nH+]c2)CCC[NH2+]C1 ZINC000416431427 389742111 /nfs/dbraw/zinc/74/21/11/389742111.db2.gz BBSYELPWHATDFZ-CQSZACIVSA-N 2 2 279.388 0.962 20 0 CCADLP [NH3+]C[C@@H]1CCCCN1C(=O)NCCCn1cc[nH+]c1 ZINC000416433320 389742723 /nfs/dbraw/zinc/74/27/23/389742723.db2.gz ONIYWXNCPNXVON-LBPRGKRZSA-N 2 2 265.361 0.796 20 0 CCADLP O=C(NCCCn1cc[nH+]c1)NCC[C@H]1CCC[NH2+]1 ZINC000416435586 389743116 /nfs/dbraw/zinc/74/31/16/389743116.db2.gz FWKYDNJOXUFTFG-GFCCVEGCSA-N 2 2 265.361 0.715 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2Cc3cccc(O)c3C2)CC1 ZINC000429234499 389746704 /nfs/dbraw/zinc/74/67/04/389746704.db2.gz ORBCZXFYEHUOEZ-ZDUSSCGKSA-N 2 2 289.379 0.223 20 0 CCADLP Cc1ccc2[nH+]c(CNC(=O)N[C@@H](C)C[NH3+])cn2c1 ZINC000417198634 389803022 /nfs/dbraw/zinc/80/30/22/389803022.db2.gz WKVQLVILSQOEHP-JTQLQIEISA-N 2 2 261.329 0.789 20 0 CCADLP Cn1ccc(N2CCC[C@@H]([N@H+](C)CC(C)(C)C[NH3+])C2=O)n1 ZINC000430561948 389807355 /nfs/dbraw/zinc/80/73/55/389807355.db2.gz BKJGDODUKDLOAB-GFCCVEGCSA-N 2 2 293.415 0.832 20 0 CCADLP Cn1ccc(N2CCC[C@@H]([N@@H+](C)CC(C)(C)C[NH3+])C2=O)n1 ZINC000430561948 389807360 /nfs/dbraw/zinc/80/73/60/389807360.db2.gz BKJGDODUKDLOAB-GFCCVEGCSA-N 2 2 293.415 0.832 20 0 CCADLP Cn1ccc(N2CCC[C@H]([N@H+](C)CC(C)(C)C[NH3+])C2=O)n1 ZINC000430561949 389807588 /nfs/dbraw/zinc/80/75/88/389807588.db2.gz BKJGDODUKDLOAB-LBPRGKRZSA-N 2 2 293.415 0.832 20 0 CCADLP Cn1ccc(N2CCC[C@H]([N@@H+](C)CC(C)(C)C[NH3+])C2=O)n1 ZINC000430561949 389807591 /nfs/dbraw/zinc/80/75/91/389807591.db2.gz BKJGDODUKDLOAB-LBPRGKRZSA-N 2 2 293.415 0.832 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000430571870 389808151 /nfs/dbraw/zinc/80/81/51/389808151.db2.gz DFEHGZCXMVRWKS-QLFBSQMISA-N 3 2 296.459 0.598 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000430571870 389808155 /nfs/dbraw/zinc/80/81/55/389808155.db2.gz DFEHGZCXMVRWKS-QLFBSQMISA-N 3 2 296.459 0.598 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000430603706 389811985 /nfs/dbraw/zinc/81/19/85/389811985.db2.gz KWYOCIBKZHIVIN-KBPBESRZSA-N 3 2 282.432 0.210 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](C[NH3+])C2)CC1 ZINC000430603706 389811987 /nfs/dbraw/zinc/81/19/87/389811987.db2.gz KWYOCIBKZHIVIN-KBPBESRZSA-N 3 2 282.432 0.210 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000417411177 389814058 /nfs/dbraw/zinc/81/40/58/389814058.db2.gz CSWRMFHPLDRLLB-CHWSQXEVSA-N 2 2 298.431 0.394 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000417411177 389814060 /nfs/dbraw/zinc/81/40/60/389814060.db2.gz CSWRMFHPLDRLLB-CHWSQXEVSA-N 2 2 298.431 0.394 20 0 CCADLP COc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000430631295 389814484 /nfs/dbraw/zinc/81/44/84/389814484.db2.gz UKENHJPNCMSWSH-AWEZNQCLSA-N 2 2 291.395 0.982 20 0 CCADLP COc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000430631295 389814489 /nfs/dbraw/zinc/81/44/89/389814489.db2.gz UKENHJPNCMSWSH-AWEZNQCLSA-N 2 2 291.395 0.982 20 0 CCADLP C[C@@H](CCC[NH3+])NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000417430975 389815705 /nfs/dbraw/zinc/81/57/05/389815705.db2.gz YSMGERRYQMWBGZ-LBPRGKRZSA-N 2 2 286.420 0.524 20 0 CCADLP C[C@@H](CCC[NH3+])NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000417430975 389815709 /nfs/dbraw/zinc/81/57/09/389815709.db2.gz YSMGERRYQMWBGZ-LBPRGKRZSA-N 2 2 286.420 0.524 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000430639269 389815978 /nfs/dbraw/zinc/81/59/78/389815978.db2.gz OVEQWQABNAXYJD-UWVGGRQHSA-N 2 2 279.306 0.820 20 0 CCADLP [NH3+]C[C@@H]1CCC[N@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000430639269 389815983 /nfs/dbraw/zinc/81/59/83/389815983.db2.gz OVEQWQABNAXYJD-UWVGGRQHSA-N 2 2 279.306 0.820 20 0 CCADLP Cc1noc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000430654694 389816733 /nfs/dbraw/zinc/81/67/33/389816733.db2.gz QRLSKYMBDGSWLI-GFCCVEGCSA-N 2 2 293.371 0.022 20 0 CCADLP Cc1noc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000430654694 389816734 /nfs/dbraw/zinc/81/67/34/389816734.db2.gz QRLSKYMBDGSWLI-GFCCVEGCSA-N 2 2 293.371 0.022 20 0 CCADLP COc1ccccc1[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000430726626 389820966 /nfs/dbraw/zinc/82/09/66/389820966.db2.gz FCJZCEAZHYPREL-RISCZKNCSA-N 2 2 277.368 0.858 20 0 CCADLP COc1ccccc1[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000430726626 389820968 /nfs/dbraw/zinc/82/09/68/389820968.db2.gz FCJZCEAZHYPREL-RISCZKNCSA-N 2 2 277.368 0.858 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000417502677 389821560 /nfs/dbraw/zinc/82/15/60/389821560.db2.gz JWVFHLYRTDCNKW-CHWSQXEVSA-N 2 2 298.431 0.394 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000417502677 389821563 /nfs/dbraw/zinc/82/15/63/389821563.db2.gz JWVFHLYRTDCNKW-CHWSQXEVSA-N 2 2 298.431 0.394 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000417502944 389822817 /nfs/dbraw/zinc/82/28/17/389822817.db2.gz KHEJAVOTZVZWAG-NSHDSACASA-N 2 2 272.393 0.134 20 0 CCADLP C[C@H]([NH3+])CCNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000417502944 389822820 /nfs/dbraw/zinc/82/28/20/389822820.db2.gz KHEJAVOTZVZWAG-NSHDSACASA-N 2 2 272.393 0.134 20 0 CCADLP C[C@@H](NC(=O)NCCC[NH2+]C1CC1)[C@H](C)[NH+]1CCOCC1 ZINC000417516079 389824842 /nfs/dbraw/zinc/82/48/42/389824842.db2.gz FZBXSMMPNKGDCV-OLZOCXBDSA-N 2 2 298.431 0.537 20 0 CCADLP Cc1[nH+]ccn1CCCCNC(=O)[C@H]1COCC[NH2+]1 ZINC000430788881 389825260 /nfs/dbraw/zinc/82/52/60/389825260.db2.gz NXDFFMIGWPOFKR-GFCCVEGCSA-N 2 2 266.345 0.076 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417517836 389825250 /nfs/dbraw/zinc/82/52/50/389825250.db2.gz REMZQEGRVBVPBY-JSGCOSHPSA-N 2 2 298.431 0.524 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417517836 389825254 /nfs/dbraw/zinc/82/52/54/389825254.db2.gz REMZQEGRVBVPBY-JSGCOSHPSA-N 2 2 298.431 0.524 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430894808 389832247 /nfs/dbraw/zinc/83/22/47/389832247.db2.gz PHNSSZDMBGXECU-AVOUXACISA-N 2 2 295.427 0.744 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430894808 389832252 /nfs/dbraw/zinc/83/22/52/389832252.db2.gz PHNSSZDMBGXECU-AVOUXACISA-N 2 2 295.427 0.744 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)C1([NH3+])CCCCC1 ZINC000430892490 389832317 /nfs/dbraw/zinc/83/23/17/389832317.db2.gz FPJLVXFWTZKALN-GFCCVEGCSA-N 2 2 269.389 0.485 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)C1([NH3+])CCCCC1 ZINC000430892490 389832318 /nfs/dbraw/zinc/83/23/18/389832318.db2.gz FPJLVXFWTZKALN-GFCCVEGCSA-N 2 2 269.389 0.485 20 0 CCADLP C[C@@H]1COCC[N@@H+]1CCNC(=O)c1csc(C[NH3+])n1 ZINC000430892219 389832720 /nfs/dbraw/zinc/83/27/20/389832720.db2.gz BUZAHXKYWCKZPK-SECBINFHSA-N 2 2 284.385 0.052 20 0 CCADLP C[C@@H]1COCC[N@H+]1CCNC(=O)c1csc(C[NH3+])n1 ZINC000430892219 389832723 /nfs/dbraw/zinc/83/27/23/389832723.db2.gz BUZAHXKYWCKZPK-SECBINFHSA-N 2 2 284.385 0.052 20 0 CCADLP O=C(C[C@H]1C[NH2+]CCO1)NCc1cn2c([nH+]1)CCCC2 ZINC000430900967 389833292 /nfs/dbraw/zinc/83/32/92/389833292.db2.gz QIEYQALUAORZFK-LBPRGKRZSA-N 2 2 278.356 0.214 20 0 CCADLP CN1CC[N@H+](C)[C@@H](CNC(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000417596917 389834438 /nfs/dbraw/zinc/83/44/38/389834438.db2.gz QZZFCYZQNVVRQE-UONOGXRCSA-N 2 2 297.447 0.049 20 0 CCADLP CN1CC[N@@H+](C)[C@@H](CNC(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000417596917 389834441 /nfs/dbraw/zinc/83/44/41/389834441.db2.gz QZZFCYZQNVVRQE-UONOGXRCSA-N 2 2 297.447 0.049 20 0 CCADLP [NH3+]C[C@H]1CC[N@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000430939027 389837572 /nfs/dbraw/zinc/83/75/72/389837572.db2.gz JZKOZQNFALVZFB-SNVBAGLBSA-N 2 2 251.374 0.572 20 0 CCADLP [NH3+]C[C@H]1CC[N@@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000430939027 389837574 /nfs/dbraw/zinc/83/75/74/389837574.db2.gz JZKOZQNFALVZFB-SNVBAGLBSA-N 2 2 251.374 0.572 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH2+]C)C1 ZINC000430937669 389837881 /nfs/dbraw/zinc/83/78/81/389837881.db2.gz DJHRXTJDJQTOLH-QWHCGFSZSA-N 2 2 271.405 0.459 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000430937669 389837884 /nfs/dbraw/zinc/83/78/84/389837884.db2.gz DJHRXTJDJQTOLH-QWHCGFSZSA-N 2 2 271.405 0.459 20 0 CCADLP C[C@@H](C[NH3+])[N@H+](C)CCC(=O)NC(=O)NCc1ccccc1 ZINC000430954907 389840270 /nfs/dbraw/zinc/84/02/70/389840270.db2.gz YBQIRFLXPVBVDV-LBPRGKRZSA-N 2 2 292.383 0.682 20 0 CCADLP C[C@@H](C[NH3+])[N@@H+](C)CCC(=O)NC(=O)NCc1ccccc1 ZINC000430954907 389840273 /nfs/dbraw/zinc/84/02/73/389840273.db2.gz YBQIRFLXPVBVDV-LBPRGKRZSA-N 2 2 292.383 0.682 20 0 CCADLP [NH3+]C1(C(=O)N2CCN(Cc3[nH]cc[nH+]3)CC2)CCCCC1 ZINC000431007145 389844330 /nfs/dbraw/zinc/84/43/30/389844330.db2.gz UCYBHOSGDMRLOI-UHFFFAOYSA-N 2 2 291.399 0.716 20 0 CCADLP CCn1cncc1C[NH2+]CCC[N@H+](C)CCOC ZINC000417872963 389859319 /nfs/dbraw/zinc/85/93/19/389859319.db2.gz NVBLDDDOQCLQJC-UHFFFAOYSA-N 2 2 254.378 0.961 20 0 CCADLP CCn1cncc1C[NH2+]CCC[N@@H+](C)CCOC ZINC000417872963 389859320 /nfs/dbraw/zinc/85/93/20/389859320.db2.gz NVBLDDDOQCLQJC-UHFFFAOYSA-N 2 2 254.378 0.961 20 0 CCADLP Cc1cc(N2CC[C@H]([N@H+]3C[C@H](C[NH3+])C[C@@H]3C)C2=O)n(C)n1 ZINC000442762055 389861648 /nfs/dbraw/zinc/86/16/48/389861648.db2.gz ZQUBDDRPFLWNOP-AVGNSLFASA-N 2 2 291.399 0.503 20 0 CCADLP Cc1cc(N2CC[C@H]([N@@H+]3C[C@H](C[NH3+])C[C@@H]3C)C2=O)n(C)n1 ZINC000442762055 389861651 /nfs/dbraw/zinc/86/16/51/389861651.db2.gz ZQUBDDRPFLWNOP-AVGNSLFASA-N 2 2 291.399 0.503 20 0 CCADLP CC[C@@H]1C[N@H+](CCNC(=O)N[C@@H]2CCC[C@@H]2C[NH3+])CCO1 ZINC000418458787 389876038 /nfs/dbraw/zinc/87/60/38/389876038.db2.gz JIZKLOLVDBBYGR-MGPQQGTHSA-N 2 2 298.431 0.524 20 0 CCADLP CC[C@@H]1C[N@@H+](CCNC(=O)N[C@@H]2CCC[C@@H]2C[NH3+])CCO1 ZINC000418458787 389876040 /nfs/dbraw/zinc/87/60/40/389876040.db2.gz JIZKLOLVDBBYGR-MGPQQGTHSA-N 2 2 298.431 0.524 20 0 CCADLP CC(C)[C@@H](C[NH3+])C(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000433168025 389902921 /nfs/dbraw/zinc/90/29/21/389902921.db2.gz LFWCUFTZWHUZLI-GFCCVEGCSA-N 2 2 271.405 0.444 20 0 CCADLP CC(C)[C@@H](C[NH3+])C(=O)NCC[N@H+]1CCOCC1(C)C ZINC000433168025 389902923 /nfs/dbraw/zinc/90/29/23/389902923.db2.gz LFWCUFTZWHUZLI-GFCCVEGCSA-N 2 2 271.405 0.444 20 0 CCADLP C/C=C\C[C@@H](CO)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000419691970 389906740 /nfs/dbraw/zinc/90/67/40/389906740.db2.gz XMFFGPROQZOKBV-GZTOBOFZSA-N 2 2 252.362 0.903 20 0 CCADLP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000447658998 389961604 /nfs/dbraw/zinc/96/16/04/389961604.db2.gz MDKWQPQEVHQJLW-UHFFFAOYSA-N 2 2 285.432 0.896 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000447658998 389961606 /nfs/dbraw/zinc/96/16/06/389961606.db2.gz MDKWQPQEVHQJLW-UHFFFAOYSA-N 2 2 285.432 0.896 20 0 CCADLP CC(C)[NH+](C)CC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000447658998 389961608 /nfs/dbraw/zinc/96/16/08/389961608.db2.gz MDKWQPQEVHQJLW-UHFFFAOYSA-N 2 2 285.432 0.896 20 0 CCADLP CC(C)[NH+](C)CC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000447658998 389961610 /nfs/dbraw/zinc/96/16/10/389961610.db2.gz MDKWQPQEVHQJLW-UHFFFAOYSA-N 2 2 285.432 0.896 20 0 CCADLP C[C@H](C(=O)N(C)[C@@H]1CCC[NH2+]CC1)[NH+]1CCOCC1 ZINC000435753701 389962422 /nfs/dbraw/zinc/96/24/22/389962422.db2.gz AZADOYUYKIGFHH-CHWSQXEVSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[NH2+]C[C@](C)(F)C2)nc[nH+]1 ZINC000420263684 389975302 /nfs/dbraw/zinc/97/53/02/389975302.db2.gz OBGNFDYZCKDFGO-GWCFXTLKSA-N 2 2 283.351 0.407 20 0 CCADLP C[NH2+]CCCN1CC[NH+](Cc2cc(C)no2)CC1 ZINC000435876704 389964652 /nfs/dbraw/zinc/96/46/52/389964652.db2.gz KDPMDJYBMLUFEU-UHFFFAOYSA-N 2 2 252.362 0.710 20 0 CCADLP C[C@H]1CN(c2cc(N3CCSCC3)[nH+]cn2)CC[NH2+]1 ZINC000420196478 389964743 /nfs/dbraw/zinc/96/47/43/389964743.db2.gz LBYIMAMNGWEJHK-NSHDSACASA-N 2 2 279.413 0.828 20 0 CCADLP C[NH2+]CCC[N@H+](CCC(F)(F)F)C[C@H](O)CO ZINC000435881703 389965099 /nfs/dbraw/zinc/96/50/99/389965099.db2.gz BOKQUOIQDWBVNJ-VIFPVBQESA-N 2 2 258.284 0.204 20 0 CCADLP C[NH2+]CCC[N@@H+](CCC(F)(F)F)C[C@H](O)CO ZINC000435881703 389965100 /nfs/dbraw/zinc/96/51/00/389965100.db2.gz BOKQUOIQDWBVNJ-VIFPVBQESA-N 2 2 258.284 0.204 20 0 CCADLP C[C@H](O)CNc1cc(N2CC[NH2+]C[C@@](C)(F)C2)nc[nH+]1 ZINC000420263688 389975420 /nfs/dbraw/zinc/97/54/20/389975420.db2.gz OBGNFDYZCKDFGO-GXFFZTMASA-N 2 2 283.351 0.407 20 0 CCADLP C[C@H](O)CNc1cc(N[C@@H]2CCC[C@H]([NH3+])C2)nc[nH+]1 ZINC000420243377 389971851 /nfs/dbraw/zinc/97/18/51/389971851.db2.gz XCZZZADETVQDRE-GARJFASQSA-N 2 2 265.361 0.951 20 0 CCADLP C[C@H](O)CNc1cc(N[C@@H]2CCC[C@H]([NH3+])C2)[nH+]cn1 ZINC000420243377 389971853 /nfs/dbraw/zinc/97/18/53/389971853.db2.gz XCZZZADETVQDRE-GARJFASQSA-N 2 2 265.361 0.951 20 0 CCADLP C[C@H]1C[N@H+](CC(C)(C)O)CCN1CC[NH+]1CCOCC1 ZINC000444674603 389912735 /nfs/dbraw/zinc/91/27/35/389912735.db2.gz PFFKBYSNJKDPQT-AWEZNQCLSA-N 2 2 285.432 0.096 20 0 CCADLP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1CC[NH+]1CCOCC1 ZINC000444674603 389912737 /nfs/dbraw/zinc/91/27/37/389912737.db2.gz PFFKBYSNJKDPQT-AWEZNQCLSA-N 2 2 285.432 0.096 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H](C)C[C@H](CO)C2)CC1 ZINC000420945327 390039339 /nfs/dbraw/zinc/03/93/39/390039339.db2.gz ROQQYFHTGKKLQX-ILXRZTDVSA-N 2 2 297.443 0.489 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@H](C)C[C@H](CO)C2)CC1 ZINC000420945327 390039340 /nfs/dbraw/zinc/03/93/40/390039340.db2.gz ROQQYFHTGKKLQX-ILXRZTDVSA-N 2 2 297.443 0.489 20 0 CCADLP C[C@@H]1CCCN(C(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)C1 ZINC000420296671 389979529 /nfs/dbraw/zinc/97/95/29/389979529.db2.gz XOAAGJKTXQGAQD-RISCZKNCSA-N 2 2 253.390 0.962 20 0 CCADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ncnn1CCF ZINC000440765835 390044101 /nfs/dbraw/zinc/04/41/01/390044101.db2.gz PCSLQFSQLACONZ-UHFFFAOYSA-N 2 2 298.410 0.317 20 0 CCADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ncnn1CCF ZINC000440765835 390044102 /nfs/dbraw/zinc/04/41/02/390044102.db2.gz PCSLQFSQLACONZ-UHFFFAOYSA-N 2 2 298.410 0.317 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420317424 389982911 /nfs/dbraw/zinc/98/29/11/389982911.db2.gz ONKUWTCKXNHVLI-QAETUUGQSA-N 3 2 289.423 0.459 20 0 CCADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420317424 389982912 /nfs/dbraw/zinc/98/29/12/389982912.db2.gz ONKUWTCKXNHVLI-QAETUUGQSA-N 3 2 289.423 0.459 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CC[NH2+]C[C@@](C)(F)C2)CCO1 ZINC000420323117 389983434 /nfs/dbraw/zinc/98/34/34/389983434.db2.gz AUGXWTMXACGXOL-CHWSQXEVSA-N 2 2 259.369 0.341 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CC[NH2+]C[C@@](C)(F)C2)CCO1 ZINC000420323117 389983435 /nfs/dbraw/zinc/98/34/35/389983435.db2.gz AUGXWTMXACGXOL-CHWSQXEVSA-N 2 2 259.369 0.341 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000420340773 389986391 /nfs/dbraw/zinc/98/63/91/389986391.db2.gz UJHKBCLHIPZDDQ-QWHCGFSZSA-N 2 2 259.369 0.341 20 0 CCADLP CN(CC1CCCCC1)C(=O)C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000420351943 389988983 /nfs/dbraw/zinc/98/89/83/389988983.db2.gz LDWWKYBYKQXDQN-ZDUSSCGKSA-N 2 2 271.405 0.277 20 0 CCADLP CN(CC1CCCCC1)C(=O)C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000420351943 389988985 /nfs/dbraw/zinc/98/89/85/389988985.db2.gz LDWWKYBYKQXDQN-ZDUSSCGKSA-N 2 2 271.405 0.277 20 0 CCADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420350884 389989010 /nfs/dbraw/zinc/98/90/10/389989010.db2.gz IISYMLKCXNKSBZ-CMPLNLGQSA-N 2 2 283.347 0.713 20 0 CCADLP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420350884 389989012 /nfs/dbraw/zinc/98/90/12/389989012.db2.gz IISYMLKCXNKSBZ-CMPLNLGQSA-N 2 2 283.347 0.713 20 0 CCADLP COC(=O)CC1(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000440781127 390044641 /nfs/dbraw/zinc/04/46/41/390044641.db2.gz SETWRJVMQDGYTE-CQSZACIVSA-N 2 2 296.411 0.984 20 0 CCADLP COC(=O)CC1(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000440781127 390044642 /nfs/dbraw/zinc/04/46/42/390044642.db2.gz SETWRJVMQDGYTE-CQSZACIVSA-N 2 2 296.411 0.984 20 0 CCADLP C[C@H]([NH2+]C1CC1)C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000449138419 389992456 /nfs/dbraw/zinc/99/24/56/389992456.db2.gz HXNIXYOBQZGZTF-MBNYWOFBSA-N 2 2 281.400 0.306 20 0 CCADLP [NH3+]C[C@@H]([NH2+]CC(=O)NC[C@@H]1CCCO1)C1CCCCC1 ZINC000420369744 389993544 /nfs/dbraw/zinc/99/35/44/389993544.db2.gz OLYMPSQLYSLNTB-UONOGXRCSA-N 2 2 283.416 0.779 20 0 CCADLP CCN1C[C@H]([NH2+]Cc2c[nH+]ccc2N(C)C)CC1=O ZINC000449519008 389994353 /nfs/dbraw/zinc/99/43/53/389994353.db2.gz PJXRXPUEFBOXOY-GFCCVEGCSA-N 2 2 262.357 0.858 20 0 CCADLP COc1ccc(C[N@H+](CCO)C2CC[NH+](C)CC2)cn1 ZINC000437588954 389994753 /nfs/dbraw/zinc/99/47/53/389994753.db2.gz KBRHCMJBXGRCLK-UHFFFAOYSA-N 2 2 279.384 0.979 20 0 CCADLP COc1ccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cn1 ZINC000437588954 389994755 /nfs/dbraw/zinc/99/47/55/389994755.db2.gz KBRHCMJBXGRCLK-UHFFFAOYSA-N 2 2 279.384 0.979 20 0 CCADLP C[NH2+]CCC[N@H+](C)[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000420392190 389996315 /nfs/dbraw/zinc/99/63/15/389996315.db2.gz UQVYPKZVNOWWGL-NEPJUHHUSA-N 2 2 257.378 0.211 20 0 CCADLP C[NH2+]CCC[N@@H+](C)[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000420392190 389996316 /nfs/dbraw/zinc/99/63/16/389996316.db2.gz UQVYPKZVNOWWGL-NEPJUHHUSA-N 2 2 257.378 0.211 20 0 CCADLP CC(C)CNC(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420390635 389996367 /nfs/dbraw/zinc/99/63/67/389996367.db2.gz YOMOABRFIZKLRH-AWEZNQCLSA-N 2 2 253.390 0.834 20 0 CCADLP CC(C)CNC(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420390635 389996369 /nfs/dbraw/zinc/99/63/69/389996369.db2.gz YOMOABRFIZKLRH-AWEZNQCLSA-N 2 2 253.390 0.834 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)n(C)n1 ZINC000420405428 389997491 /nfs/dbraw/zinc/99/74/91/389997491.db2.gz MVSDJIKWUPNVSG-CMPLNLGQSA-N 2 2 279.388 0.584 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)n(C)n1 ZINC000420405428 389997494 /nfs/dbraw/zinc/99/74/94/389997494.db2.gz MVSDJIKWUPNVSG-CMPLNLGQSA-N 2 2 279.388 0.584 20 0 CCADLP CCOC(=O)[C@H]([NH2+]CCN1CC[NH2+]CC1)[C@H](C)CC ZINC000420414600 389998722 /nfs/dbraw/zinc/99/87/22/389998722.db2.gz UMPPNSCENMUQHB-CHWSQXEVSA-N 2 2 271.405 0.459 20 0 CCADLP CC1C[NH+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000438862921 390010922 /nfs/dbraw/zinc/01/09/22/390010922.db2.gz YASQDWSBMWLJGF-UHFFFAOYSA-N 2 2 261.373 0.680 20 0 CCADLP Cc1nc(N(C)C[C@@H]2CCC[N@@H+]2C)nc(N(C)C)[nH+]1 ZINC000420628427 390018422 /nfs/dbraw/zinc/01/84/22/390018422.db2.gz ASVKILIHYDZKTM-NSHDSACASA-N 2 2 264.377 0.776 20 0 CCADLP Cc1nc(N(C)C[C@@H]2CCC[N@H+]2C)nc(N(C)C)[nH+]1 ZINC000420628427 390018425 /nfs/dbraw/zinc/01/84/25/390018425.db2.gz ASVKILIHYDZKTM-NSHDSACASA-N 2 2 264.377 0.776 20 0 CCADLP COC[C@@H]1C[N@H+](CCn2cc[nH+]c2C)C[C@H](C)O1 ZINC000439283847 390018719 /nfs/dbraw/zinc/01/87/19/390018719.db2.gz LDHLMPZOTMNIPE-AAEUAGOBSA-N 2 2 253.346 0.927 20 0 CCADLP COC[C@@H]1C[N@@H+](CCn2cc[nH+]c2C)C[C@H](C)O1 ZINC000439283847 390018722 /nfs/dbraw/zinc/01/87/22/390018722.db2.gz LDHLMPZOTMNIPE-AAEUAGOBSA-N 2 2 253.346 0.927 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000486925271 390082843 /nfs/dbraw/zinc/08/28/43/390082843.db2.gz LYPBKCAMNDUUDM-RDBSUJKOSA-N 2 2 288.395 0.974 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000486925271 390082844 /nfs/dbraw/zinc/08/28/44/390082844.db2.gz LYPBKCAMNDUUDM-RDBSUJKOSA-N 2 2 288.395 0.974 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000488569837 390094714 /nfs/dbraw/zinc/09/47/14/390094714.db2.gz UNYPGVCFFLDKJB-BPLDGKMQSA-N 2 2 288.395 0.752 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1 ZINC000488569837 390094715 /nfs/dbraw/zinc/09/47/15/390094715.db2.gz UNYPGVCFFLDKJB-BPLDGKMQSA-N 2 2 288.395 0.752 20 0 CCADLP CSC[C@@H](O)C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000488602772 390095011 /nfs/dbraw/zinc/09/50/11/390095011.db2.gz XUMVUBISESUIKD-LBPRGKRZSA-N 2 2 262.419 0.099 20 0 CCADLP CSC[C@@H](O)C[N@@H+](C)C1CC[NH+](CCO)CC1 ZINC000488602772 390095012 /nfs/dbraw/zinc/09/50/12/390095012.db2.gz XUMVUBISESUIKD-LBPRGKRZSA-N 2 2 262.419 0.099 20 0 CCADLP CC[N@@H+]1CCC[C@@H]1CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000489493770 390100872 /nfs/dbraw/zinc/10/08/72/390100872.db2.gz GBCXKAUGCFOQHC-LLVKDONJSA-N 2 2 264.377 0.564 20 0 CCADLP CC[N@H+]1CCC[C@@H]1CNc1nc(C)[nH+]c(N(C)C)n1 ZINC000489493770 390100873 /nfs/dbraw/zinc/10/08/73/390100873.db2.gz GBCXKAUGCFOQHC-LLVKDONJSA-N 2 2 264.377 0.564 20 0 CCADLP CC[NH+]1CCC(Nc2nc(C)[nH+]c(N(C)C)n2)CC1 ZINC000489536323 390100931 /nfs/dbraw/zinc/10/09/31/390100931.db2.gz RXALQXUQOGJRRJ-UHFFFAOYSA-N 2 2 264.377 0.564 20 0 CCADLP Cc1nc(N(C)C)nc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)[nH+]1 ZINC000490131772 390104852 /nfs/dbraw/zinc/10/48/52/390104852.db2.gz CCOBXCATTATYQU-NWDGAFQWSA-N 2 2 278.404 0.953 20 0 CCADLP Cc1nc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)nc(N(C)C)[nH+]1 ZINC000490131772 390104853 /nfs/dbraw/zinc/10/48/53/390104853.db2.gz CCOBXCATTATYQU-NWDGAFQWSA-N 2 2 278.404 0.953 20 0 CCADLP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC1C[NH+](C(C)C)C1 ZINC000457715327 390048572 /nfs/dbraw/zinc/04/85/72/390048572.db2.gz DYPPRSQHHPDISH-AWEZNQCLSA-N 2 2 283.416 0.696 20 0 CCADLP CCCC[N@H+]1CCOC[C@H]1C(=O)NC1C[NH+](C(C)C)C1 ZINC000457715327 390048573 /nfs/dbraw/zinc/04/85/73/390048573.db2.gz DYPPRSQHHPDISH-AWEZNQCLSA-N 2 2 283.416 0.696 20 0 CCADLP C[N@H+](CCC[NH3+])CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000647848556 390191556 /nfs/dbraw/zinc/19/15/56/390191556.db2.gz UCHXTFMUQPQPRV-CYBMUJFWSA-N 2 2 277.368 0.387 20 0 CCADLP C[N@@H+](CCC[NH3+])CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000647848556 390191559 /nfs/dbraw/zinc/19/15/59/390191559.db2.gz UCHXTFMUQPQPRV-CYBMUJFWSA-N 2 2 277.368 0.387 20 0 CCADLP C[C@H](C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C)[NH+]1CCN(C)CC1 ZINC000647830036 390184145 /nfs/dbraw/zinc/18/41/45/390184145.db2.gz JZDYSIUTFJXTRW-MCIONIFRSA-N 2 2 282.432 0.173 20 0 CCADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1noc2c1CCCC2 ZINC000647835923 390186660 /nfs/dbraw/zinc/18/66/60/390186660.db2.gz UZULWKGMTJHCIM-UHFFFAOYSA-N 2 2 278.400 0.890 20 0 CCADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1noc2c1CCCC2 ZINC000647835923 390186663 /nfs/dbraw/zinc/18/66/63/390186663.db2.gz UZULWKGMTJHCIM-UHFFFAOYSA-N 2 2 278.400 0.890 20 0 CCADLP COCc1noc([C@H](C)[N@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000647836156 390186803 /nfs/dbraw/zinc/18/68/03/390186803.db2.gz CUYXZCMOAUAQHS-NSHDSACASA-N 2 2 283.376 0.114 20 0 CCADLP COCc1noc([C@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000647836156 390186804 /nfs/dbraw/zinc/18/68/04/390186804.db2.gz CUYXZCMOAUAQHS-NSHDSACASA-N 2 2 283.376 0.114 20 0 CCADLP COCC[N@@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000493294311 390122582 /nfs/dbraw/zinc/12/25/82/390122582.db2.gz WEYXJWVGWHSUAA-MVZIDQBPSA-N 2 2 278.356 0.602 20 0 CCADLP COCC[N@H+]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@@H]1C ZINC000493294311 390122583 /nfs/dbraw/zinc/12/25/83/390122583.db2.gz WEYXJWVGWHSUAA-MVZIDQBPSA-N 2 2 278.356 0.602 20 0 CCADLP C[N@@H+]1CCN(C(=O)/C=C\C2CCOCC2)[C@H](C[NH3+])C1 ZINC000493718046 390127545 /nfs/dbraw/zinc/12/75/45/390127545.db2.gz NPSQORTXUNSUHQ-XQJDBVBESA-N 2 2 267.373 0.071 20 0 CCADLP C[N@H+]1CCN(C(=O)/C=C\C2CCOCC2)[C@H](C[NH3+])C1 ZINC000493718046 390127546 /nfs/dbraw/zinc/12/75/46/390127546.db2.gz NPSQORTXUNSUHQ-XQJDBVBESA-N 2 2 267.373 0.071 20 0 CCADLP CS[C@@H]1CN(C(=O)C=Cc2c[nH]c[nH+]2)C[C@H]1[NH+](C)C ZINC000493834671 390128398 /nfs/dbraw/zinc/12/83/98/390128398.db2.gz GYRTXVIJJMQLJQ-XLMCQVRKSA-N 2 2 280.397 0.927 20 0 CCADLP COCCCNC(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534580981 390129955 /nfs/dbraw/zinc/12/99/55/390129955.db2.gz YCQUORRATLEICN-LBPRGKRZSA-N 2 2 280.372 0.362 20 0 CCADLP COCCCNC(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000534580981 390129958 /nfs/dbraw/zinc/12/99/58/390129958.db2.gz YCQUORRATLEICN-LBPRGKRZSA-N 2 2 280.372 0.362 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1)[C@H](C)[NH3+] ZINC000493967284 390137437 /nfs/dbraw/zinc/13/74/37/390137437.db2.gz FXXVEEFTAPHKJI-NEPJUHHUSA-N 2 2 279.388 0.048 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)NC[C@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000579351351 390163940 /nfs/dbraw/zinc/16/39/40/390163940.db2.gz SUXAXFOILOOHRK-CHWSQXEVSA-N 2 2 299.415 0.376 20 0 CCADLP CCC[NH2+][C@H](C)C(=O)NC[C@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000579351351 390163941 /nfs/dbraw/zinc/16/39/41/390163941.db2.gz SUXAXFOILOOHRK-CHWSQXEVSA-N 2 2 299.415 0.376 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCC[N@H+](CC(=O)OC)C1 ZINC000579351355 390164151 /nfs/dbraw/zinc/16/41/51/390164151.db2.gz SUXAXFOILOOHRK-STQMWFEESA-N 2 2 299.415 0.376 20 0 CCADLP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)OC)C1 ZINC000579351355 390164152 /nfs/dbraw/zinc/16/41/52/390164152.db2.gz SUXAXFOILOOHRK-STQMWFEESA-N 2 2 299.415 0.376 20 0 CCADLP CNS(=O)(=O)[C@@H]1CCC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000536573483 390166453 /nfs/dbraw/zinc/16/64/53/390166453.db2.gz PWGHWOZYNMTCBV-GFCCVEGCSA-N 2 2 286.401 0.205 20 0 CCADLP CNS(=O)(=O)[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000536573483 390166455 /nfs/dbraw/zinc/16/64/55/390166455.db2.gz PWGHWOZYNMTCBV-GFCCVEGCSA-N 2 2 286.401 0.205 20 0 CCADLP COC(=O)C(C)(C)N1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000494391877 390171175 /nfs/dbraw/zinc/17/11/75/390171175.db2.gz JEBXPFJDMFYILY-UHFFFAOYSA-N 2 2 280.372 0.452 20 0 CCADLP Cn1cc([C@@H](CO)[NH2+]CC[C@@H]2CCCC[N@@H+]2C)cn1 ZINC000494809912 390202104 /nfs/dbraw/zinc/20/21/04/390202104.db2.gz PYQPRMUJEATUKW-UONOGXRCSA-N 2 2 266.389 0.918 20 0 CCADLP Cn1cc([C@@H](CO)[NH2+]CC[C@@H]2CCCC[N@H+]2C)cn1 ZINC000494809912 390202108 /nfs/dbraw/zinc/20/21/08/390202108.db2.gz PYQPRMUJEATUKW-UONOGXRCSA-N 2 2 266.389 0.918 20 0 CCADLP O=C(CC[N@@H+]1CCC[C@H](c2ccn[nH]2)C1)N1CC[NH2+]CC1 ZINC000647880977 390205469 /nfs/dbraw/zinc/20/54/69/390205469.db2.gz KUKVTIQVOZTIKC-ZDUSSCGKSA-N 2 2 291.399 0.411 20 0 CCADLP O=C(CC[N@H+]1CCC[C@H](c2ccn[nH]2)C1)N1CC[NH2+]CC1 ZINC000647880977 390205473 /nfs/dbraw/zinc/20/54/73/390205473.db2.gz KUKVTIQVOZTIKC-ZDUSSCGKSA-N 2 2 291.399 0.411 20 0 CCADLP C[C@@H]([NH3+])C[NH+]1CCC(C(N)=O)(c2ccccc2)CC1 ZINC000647885947 390207748 /nfs/dbraw/zinc/20/77/48/390207748.db2.gz RNKGXLATGAOBEE-GFCCVEGCSA-N 2 2 261.369 0.853 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000579826964 390211480 /nfs/dbraw/zinc/21/14/80/390211480.db2.gz AJFLCRWZCIKHMI-LPWJVIDDSA-N 2 2 260.378 0.081 20 0 CCADLP COc1ncc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)s1 ZINC000647925055 390219327 /nfs/dbraw/zinc/21/93/27/390219327.db2.gz HQTHXWNFMQVNKQ-SNVBAGLBSA-N 2 2 271.386 0.698 20 0 CCADLP CC[C@H]1CN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC[C@@H]1[NH3+] ZINC000647934830 390222046 /nfs/dbraw/zinc/22/20/46/390222046.db2.gz RXORYFXPTZVWFQ-XQLPTFJDSA-N 2 2 267.417 0.909 20 0 CCADLP CC[C@H]1CN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC[C@@H]1[NH3+] ZINC000647934830 390222049 /nfs/dbraw/zinc/22/20/49/390222049.db2.gz RXORYFXPTZVWFQ-XQLPTFJDSA-N 2 2 267.417 0.909 20 0 CCADLP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)NC[C@@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000647940168 390223019 /nfs/dbraw/zinc/22/30/19/390223019.db2.gz OKWVJXRPWZLFQC-MQYQWHSLSA-N 2 2 283.416 0.729 20 0 CCADLP CC[C@@H]1C[N@H+]([C@H](C)C(=O)NC[C@@H]2CCCO2)CC[C@@H]1[NH3+] ZINC000647940168 390223020 /nfs/dbraw/zinc/22/30/20/390223020.db2.gz OKWVJXRPWZLFQC-MQYQWHSLSA-N 2 2 283.416 0.729 20 0 CCADLP C[N@H+](CCC[NH3+])CCOc1ccc(S(C)(=O)=O)cc1 ZINC000647848202 390191852 /nfs/dbraw/zinc/19/18/52/390191852.db2.gz KRBRMFSIALLRFN-UHFFFAOYSA-N 2 2 286.397 0.750 20 0 CCADLP C[N@@H+](CCC[NH3+])CCOc1ccc(S(C)(=O)=O)cc1 ZINC000647848202 390191856 /nfs/dbraw/zinc/19/18/56/390191856.db2.gz KRBRMFSIALLRFN-UHFFFAOYSA-N 2 2 286.397 0.750 20 0 CCADLP C[N@H+](CCC[NH3+])CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000647848096 390192138 /nfs/dbraw/zinc/19/21/38/390192138.db2.gz DEOHAWPENJPTPP-QWHCGFSZSA-N 2 2 269.389 0.437 20 0 CCADLP C[N@@H+](CCC[NH3+])CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000647848096 390192143 /nfs/dbraw/zinc/19/21/43/390192143.db2.gz DEOHAWPENJPTPP-QWHCGFSZSA-N 2 2 269.389 0.437 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494700906 390195061 /nfs/dbraw/zinc/19/50/61/390195061.db2.gz BRTULZHPXJNYNO-ZDUSSCGKSA-N 2 2 283.416 0.746 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494700906 390195065 /nfs/dbraw/zinc/19/50/65/390195065.db2.gz BRTULZHPXJNYNO-ZDUSSCGKSA-N 2 2 283.416 0.746 20 0 CCADLP O=C(NCC[C@@H]1CCC[NH2+]C1)NCC[NH+]1CCOCC1 ZINC000579689573 390197920 /nfs/dbraw/zinc/19/79/20/390197920.db2.gz YOKBAVZXSIANAB-ZDUSSCGKSA-N 2 2 284.404 0.008 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000647865588 390198370 /nfs/dbraw/zinc/19/83/70/390198370.db2.gz NZRSSAPKXDUJOK-HZPDHXFCSA-N 3 2 298.475 0.451 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000647865588 390198373 /nfs/dbraw/zinc/19/83/73/390198373.db2.gz NZRSSAPKXDUJOK-HZPDHXFCSA-N 3 2 298.475 0.451 20 0 CCADLP C[C@@H](O)C[N@@H+]1CCN(C(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC000281651168 195323418 /nfs/dbraw/zinc/32/34/18/195323418.db2.gz RLLILQFUMPTJFP-CHWSQXEVSA-N 2 2 280.372 0.187 20 0 CCADLP C[C@@H](O)C[N@H+]1CCN(C(=O)CCn2cc[nH+]c2)[C@H](C)C1 ZINC000281651168 195323421 /nfs/dbraw/zinc/32/34/21/195323421.db2.gz RLLILQFUMPTJFP-CHWSQXEVSA-N 2 2 280.372 0.187 20 0 CCADLP CS(=O)(=O)C[C@@H]([NH2+]C[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000647992222 390241644 /nfs/dbraw/zinc/24/16/44/390241644.db2.gz UPOBSZDEKBUJLT-GXTWGEPZSA-N 2 2 282.409 0.971 20 0 CCADLP C[C@H](O)C[N@@H+]1CCN(C(=O)CCc2c[nH+]cn2C)[C@@H](C)C1 ZINC000281763569 195370672 /nfs/dbraw/zinc/37/06/72/195370672.db2.gz ZYMKZDNVMAKILS-STQMWFEESA-N 2 2 294.399 0.266 20 0 CCADLP C[C@H](O)C[N@H+]1CCN(C(=O)CCc2c[nH+]cn2C)[C@@H](C)C1 ZINC000281763569 195370673 /nfs/dbraw/zinc/37/06/73/195370673.db2.gz ZYMKZDNVMAKILS-STQMWFEESA-N 2 2 294.399 0.266 20 0 CCADLP C[N@@H+]1CCC[C@@H]([NH2+]C[C@H](O)COCc2ccco2)C1 ZINC000644547867 390250223 /nfs/dbraw/zinc/25/02/23/390250223.db2.gz DFMMCJRCFIUXRU-OLZOCXBDSA-N 2 2 268.357 0.841 20 0 CCADLP C[N@H+]1CCC[C@@H]([NH2+]C[C@H](O)COCc2ccco2)C1 ZINC000644547867 390250227 /nfs/dbraw/zinc/25/02/27/390250227.db2.gz DFMMCJRCFIUXRU-OLZOCXBDSA-N 2 2 268.357 0.841 20 0 CCADLP CC[C@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000644569510 390254914 /nfs/dbraw/zinc/25/49/14/390254914.db2.gz UDNBZTDKKNKOIA-CVEARBPZSA-N 3 2 298.475 0.059 20 0 CCADLP CC[C@H](CN1CCCC1)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000644569510 390254918 /nfs/dbraw/zinc/25/49/18/390254918.db2.gz UDNBZTDKKNKOIA-CVEARBPZSA-N 2 2 298.475 0.059 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H]1CC(=O)N(C2CC2)C1 ZINC000582067369 390258445 /nfs/dbraw/zinc/25/84/45/390258445.db2.gz QMMFLPUBXQMXIM-NTZNESFSSA-N 2 2 251.374 0.537 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H]1CC(=O)N(C2CC2)C1 ZINC000582067369 390258448 /nfs/dbraw/zinc/25/84/48/390258448.db2.gz QMMFLPUBXQMXIM-NTZNESFSSA-N 2 2 251.374 0.537 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)[C@H]([NH3+])c1cscn1)C1CC1 ZINC000582240258 390272305 /nfs/dbraw/zinc/27/23/05/390272305.db2.gz ZMLLXWMWBOYQME-WDEREUQCSA-N 2 2 268.386 0.599 20 0 CCADLP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000644641330 390273878 /nfs/dbraw/zinc/27/38/78/390273878.db2.gz SABYDLPEVJUUJY-JSGCOSHPSA-N 2 2 278.400 0.842 20 0 CCADLP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000644641330 390273881 /nfs/dbraw/zinc/27/38/81/390273881.db2.gz SABYDLPEVJUUJY-JSGCOSHPSA-N 2 2 278.400 0.842 20 0 CCADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)CC(F)(F)C[NH3+] ZINC000582248614 390274658 /nfs/dbraw/zinc/27/46/58/390274658.db2.gz SGEGUPCRHYGKQL-SECBINFHSA-N 2 2 274.315 0.928 20 0 CCADLP CNC(=O)OC[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000496102602 390300586 /nfs/dbraw/zinc/30/05/86/390300586.db2.gz SKHVGAHHZOZSNU-ZIAGYGMSSA-N 2 2 299.415 0.652 20 0 CCADLP CNC(=O)OC[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000496102602 390300589 /nfs/dbraw/zinc/30/05/89/390300589.db2.gz SKHVGAHHZOZSNU-ZIAGYGMSSA-N 2 2 299.415 0.652 20 0 CCADLP CNC(=O)OC[C@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000496102602 390300592 /nfs/dbraw/zinc/30/05/92/390300592.db2.gz SKHVGAHHZOZSNU-ZIAGYGMSSA-N 2 2 299.415 0.652 20 0 CCADLP CNC(=O)OC[C@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000496102602 390300594 /nfs/dbraw/zinc/30/05/94/390300594.db2.gz SKHVGAHHZOZSNU-ZIAGYGMSSA-N 2 2 299.415 0.652 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1COC(=O)NC ZINC000496126089 390304675 /nfs/dbraw/zinc/30/46/75/390304675.db2.gz SNOMHERKRTUYSA-QWHCGFSZSA-N 2 2 287.404 0.510 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1COC(=O)NC ZINC000496126089 390304678 /nfs/dbraw/zinc/30/46/78/390304678.db2.gz SNOMHERKRTUYSA-QWHCGFSZSA-N 2 2 287.404 0.510 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@H]1COC(=O)NC ZINC000496126089 390304681 /nfs/dbraw/zinc/30/46/81/390304681.db2.gz SNOMHERKRTUYSA-QWHCGFSZSA-N 2 2 287.404 0.510 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@H]1COC(=O)NC ZINC000496126089 390304683 /nfs/dbraw/zinc/30/46/83/390304683.db2.gz SNOMHERKRTUYSA-QWHCGFSZSA-N 2 2 287.404 0.510 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000583953486 390327828 /nfs/dbraw/zinc/32/78/28/390327828.db2.gz MRGUMBXKVCYWHK-UHFFFAOYSA-N 2 2 264.373 0.811 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@@]2(C)CCCS2)[C@@H](C[NH3+])C1 ZINC000584400325 390339250 /nfs/dbraw/zinc/33/92/50/390339250.db2.gz YGLYTEOVFUMVEO-WCQYABFASA-N 2 2 286.445 0.556 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@@]2(C)CCCS2)[C@@H](C[NH3+])C1 ZINC000584400325 390339252 /nfs/dbraw/zinc/33/92/52/390339252.db2.gz YGLYTEOVFUMVEO-WCQYABFASA-N 2 2 286.445 0.556 20 0 CCADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1nnnn1CC1CC1 ZINC000546024166 390343414 /nfs/dbraw/zinc/34/34/14/390343414.db2.gz NEDNXEMJYLVTTK-NTZNESFSSA-N 2 2 278.404 0.901 20 0 CCADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1nnnn1CC1CC1 ZINC000546024166 390343418 /nfs/dbraw/zinc/34/34/18/390343418.db2.gz NEDNXEMJYLVTTK-NTZNESFSSA-N 2 2 278.404 0.901 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCCc2c[nH+]cn2C)CC[N@@H+]1C ZINC000648858578 390425618 /nfs/dbraw/zinc/42/56/18/390425618.db2.gz DMCFDZSDQDCPOV-ZYHUDNBSSA-N 2 2 250.346 0.419 20 0 CCADLP C[C@@H]1[C@H](C(=O)NCCc2c[nH+]cn2C)CC[N@H+]1C ZINC000648858578 390425620 /nfs/dbraw/zinc/42/56/20/390425620.db2.gz DMCFDZSDQDCPOV-ZYHUDNBSSA-N 2 2 250.346 0.419 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)CCc2[nH]cc[nH+]2)CCO1 ZINC000554472883 390427654 /nfs/dbraw/zinc/42/76/54/390427654.db2.gz SCKYLEJHBASQFK-NSHDSACASA-N 2 2 266.345 0.179 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)CCc2[nH]cc[nH+]2)CCO1 ZINC000554472883 390427656 /nfs/dbraw/zinc/42/76/56/390427656.db2.gz SCKYLEJHBASQFK-NSHDSACASA-N 2 2 266.345 0.179 20 0 CCADLP C[C@](O)(CO)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000643385536 390438304 /nfs/dbraw/zinc/43/83/04/390438304.db2.gz VNDCGHRQBMGXET-LLVKDONJSA-N 2 2 284.322 0.736 20 0 CCADLP CCc1nocc1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000645150837 390378823 /nfs/dbraw/zinc/37/88/23/390378823.db2.gz FSZAVSLCKDGQIX-UHFFFAOYSA-N 2 2 266.345 0.101 20 0 CCADLP C[C@@H](Nc1nc(N)[nH+]c2c1CCCC2)[C@@H]1C[N@H+](C)CCO1 ZINC000645193543 390386379 /nfs/dbraw/zinc/38/63/79/390386379.db2.gz JCXSGRSPUKXWQA-MFKMUULPSA-N 2 2 291.399 0.321 20 0 CCADLP C[C@@H](Nc1nc(N)[nH+]c2c1CCCC2)[C@@H]1C[N@@H+](C)CCO1 ZINC000645193543 390386381 /nfs/dbraw/zinc/38/63/81/390386381.db2.gz JCXSGRSPUKXWQA-MFKMUULPSA-N 2 2 291.399 0.321 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000649129803 390494820 /nfs/dbraw/zinc/49/48/20/390494820.db2.gz LOSMVXXCFKGLDV-UHFFFAOYSA-N 2 2 292.383 0.584 20 0 CCADLP COc1c(N)[nH+]cnc1N1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000519542180 390507216 /nfs/dbraw/zinc/50/72/16/390507216.db2.gz DDQKFUFFATURFZ-JTQLQIEISA-N 2 2 295.387 0.349 20 0 CCADLP COc1c(N)[nH+]cnc1N1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000519542180 390507218 /nfs/dbraw/zinc/50/72/18/390507218.db2.gz DDQKFUFFATURFZ-JTQLQIEISA-N 2 2 295.387 0.349 20 0 CCADLP COc1c(N)nc[nH+]c1N1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000519542180 390507221 /nfs/dbraw/zinc/50/72/21/390507221.db2.gz DDQKFUFFATURFZ-JTQLQIEISA-N 2 2 295.387 0.349 20 0 CCADLP COc1c(N)nc[nH+]c1N1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000519542180 390507222 /nfs/dbraw/zinc/50/72/22/390507222.db2.gz DDQKFUFFATURFZ-JTQLQIEISA-N 2 2 295.387 0.349 20 0 CCADLP C[C@@H](N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCC[NH2+]1 ZINC000643452311 390447931 /nfs/dbraw/zinc/44/79/31/390447931.db2.gz FMIHMPGWWGHREN-IIAWOOMASA-N 3 2 280.460 0.885 20 0 CCADLP C[C@@H](N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)[C@H]1CCC[NH2+]1 ZINC000643452311 390447934 /nfs/dbraw/zinc/44/79/34/390447934.db2.gz FMIHMPGWWGHREN-IIAWOOMASA-N 3 2 280.460 0.885 20 0 CCADLP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CCC[NH2+]1 ZINC000643452311 390447936 /nfs/dbraw/zinc/44/79/36/390447936.db2.gz FMIHMPGWWGHREN-IIAWOOMASA-N 3 2 280.460 0.885 20 0 CCADLP C[C@@H]1[C@H](C(=O)NC(C)(C)C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000648930398 390448403 /nfs/dbraw/zinc/44/84/03/390448403.db2.gz OWMWOHSIDPZHIC-CHWSQXEVSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H]1[C@H](C(=O)NC(C)(C)C[NH+]2CCOCC2)CC[N@H+]1C ZINC000648930398 390448405 /nfs/dbraw/zinc/44/84/05/390448405.db2.gz OWMWOHSIDPZHIC-CHWSQXEVSA-N 2 2 283.416 0.554 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000527973679 285376120 /nfs/dbraw/zinc/37/61/20/285376120.db2.gz SEXFJBNFCFXYNW-LLVKDONJSA-N 2 2 266.345 0.028 20 0 CCADLP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000643472297 390451428 /nfs/dbraw/zinc/45/14/28/390451428.db2.gz UEVZGOGPZBBUKR-GJZGRUSLSA-N 3 2 296.459 0.661 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000643472262 390451538 /nfs/dbraw/zinc/45/15/38/390451538.db2.gz OJCOZULRJABKKD-QLFBSQMISA-N 3 2 294.443 0.271 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000643472307 390451615 /nfs/dbraw/zinc/45/16/15/390451615.db2.gz VEZDMYUCMYBMBE-CABCVRRESA-N 3 2 288.395 0.495 20 0 CCADLP [NH3+][C@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH2+]CC2)c2ccccc21 ZINC000565475137 390516119 /nfs/dbraw/zinc/51/61/19/390516119.db2.gz VOMWTLFTPYLJRF-UONOGXRCSA-N 3 2 274.368 0.153 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@H](CO)C(C)(C)C)C[C@H](C)O1 ZINC000555976366 390471771 /nfs/dbraw/zinc/47/17/71/390471771.db2.gz QRJGPQIOFGKATF-XJFOESAGSA-N 2 2 288.432 0.453 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@H](CO)C(C)(C)C)C[C@H](C)O1 ZINC000555976366 390471772 /nfs/dbraw/zinc/47/17/72/390471772.db2.gz QRJGPQIOFGKATF-XJFOESAGSA-N 2 2 288.432 0.453 20 0 CCADLP CC[C@@H]1C[C@H](C(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])CCO1 ZINC000516649683 390484438 /nfs/dbraw/zinc/48/44/38/390484438.db2.gz YRIKNVIVHPOCPD-FRRDWIJNSA-N 2 2 269.389 0.293 20 0 CCADLP CC[C@@H]1C[C@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])CCO1 ZINC000516649683 390484439 /nfs/dbraw/zinc/48/44/39/390484439.db2.gz YRIKNVIVHPOCPD-FRRDWIJNSA-N 2 2 269.389 0.293 20 0 CCADLP C[N@@H+]1CCCC(C)(C)[C@H]1CNC[C@H](O)C[NH+]1CCOCC1 ZINC000520568968 390580383 /nfs/dbraw/zinc/58/03/83/390580383.db2.gz OANQLTLGXVKJLG-LSDHHAIUSA-N 2 2 299.459 0.390 20 0 CCADLP C[N@H+]1CCCC(C)(C)[C@H]1CNC[C@H](O)C[NH+]1CCOCC1 ZINC000520568968 390580384 /nfs/dbraw/zinc/58/03/84/390580384.db2.gz OANQLTLGXVKJLG-LSDHHAIUSA-N 2 2 299.459 0.390 20 0 CCADLP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC[C@H](O)C[NH+]1CCOCC1 ZINC000520568966 390580631 /nfs/dbraw/zinc/58/06/31/390580631.db2.gz OANQLTLGXVKJLG-GJZGRUSLSA-N 2 2 299.459 0.390 20 0 CCADLP C[N@H+]1CCCC(C)(C)[C@@H]1CNC[C@H](O)C[NH+]1CCOCC1 ZINC000520568966 390580633 /nfs/dbraw/zinc/58/06/33/390580633.db2.gz OANQLTLGXVKJLG-GJZGRUSLSA-N 2 2 299.459 0.390 20 0 CCADLP COC[C@]1(C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC[NH2+]C1 ZINC000566161128 390587559 /nfs/dbraw/zinc/58/75/59/390587559.db2.gz IZDKYZPDPSYOSR-DOMZBBRYSA-N 2 2 292.383 0.742 20 0 CCADLP O=C(NCc1ccn2cc[nH+]c2c1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649336154 390592460 /nfs/dbraw/zinc/59/24/60/390592460.db2.gz HWWAZNSPANYKLK-UTUOFQBUSA-N 2 2 256.309 0.701 20 0 CCADLP O=C(NCCc1[nH]cc[nH+]1)[C@H]1C[NH2+]CCC1(F)F ZINC000649332810 390588277 /nfs/dbraw/zinc/58/82/77/390588277.db2.gz JMAQUHFVNDAWKH-MRVPVSSYSA-N 2 2 258.272 0.313 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000565599116 390528813 /nfs/dbraw/zinc/52/88/13/390528813.db2.gz KQMSWBZLACVRNX-FMKPAKJESA-N 2 2 295.427 0.746 20 0 CCADLP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000565599116 390528816 /nfs/dbraw/zinc/52/88/16/390528816.db2.gz KQMSWBZLACVRNX-FMKPAKJESA-N 2 2 295.427 0.746 20 0 CCADLP CC[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)CC)C[C@]2(CCOC2)O1 ZINC000519711741 390533514 /nfs/dbraw/zinc/53/35/14/390533514.db2.gz ZPNBYSYHQHDGTF-ZNMIVQPWSA-N 2 2 286.416 0.569 20 0 CCADLP CC[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)CC)C[C@]2(CCOC2)O1 ZINC000519711741 390533517 /nfs/dbraw/zinc/53/35/17/390533517.db2.gz ZPNBYSYHQHDGTF-ZNMIVQPWSA-N 2 2 286.416 0.569 20 0 CCADLP CC[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)CC)C[C@]2(CCOC2)O1 ZINC000519711741 390533522 /nfs/dbraw/zinc/53/35/22/390533522.db2.gz ZPNBYSYHQHDGTF-ZNMIVQPWSA-N 2 2 286.416 0.569 20 0 CCADLP CC[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)CC)C[C@]2(CCOC2)O1 ZINC000519711741 390533524 /nfs/dbraw/zinc/53/35/24/390533524.db2.gz ZPNBYSYHQHDGTF-ZNMIVQPWSA-N 2 2 286.416 0.569 20 0 CCADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000645943993 390542220 /nfs/dbraw/zinc/54/22/20/390542220.db2.gz CAVKYMAJFKLUFA-OLZOCXBDSA-N 2 2 291.399 0.062 20 0 CCADLP C[C@H]([NH3+])[C@H]1CN(C(=O)Cc2cn3ccccc3[nH+]2)CCO1 ZINC000649274299 390543196 /nfs/dbraw/zinc/54/31/96/390543196.db2.gz BFPNGCMIJNJJGV-WCQYABFASA-N 2 2 288.351 0.451 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCCC[NH3+])C2)CC1 ZINC000645977725 390555415 /nfs/dbraw/zinc/55/54/15/390555415.db2.gz KAOQYQQOYHBMAA-CYBMUJFWSA-N 3 2 282.432 0.400 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCCC[NH3+])C2)CC1 ZINC000645977725 390555418 /nfs/dbraw/zinc/55/54/18/390555418.db2.gz KAOQYQQOYHBMAA-CYBMUJFWSA-N 3 2 282.432 0.400 20 0 CCADLP C[C@@H]([NH3+])CCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645978148 390557019 /nfs/dbraw/zinc/55/70/19/390557019.db2.gz VGYDHQUPPNKCGD-CHWSQXEVSA-N 3 2 282.432 0.399 20 0 CCADLP C[C@@H]([NH3+])CCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645978148 390557022 /nfs/dbraw/zinc/55/70/22/390557022.db2.gz VGYDHQUPPNKCGD-CHWSQXEVSA-N 3 2 282.432 0.399 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@]3(C)CC[NH2+]C3)C2)CC1 ZINC000645978241 390557665 /nfs/dbraw/zinc/55/76/65/390557665.db2.gz ZDMRUMHNMZETKA-CJNGLKHVSA-N 3 2 294.443 0.271 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@]3(C)CC[NH2+]C3)C2)CC1 ZINC000645978241 390557668 /nfs/dbraw/zinc/55/76/68/390557668.db2.gz ZDMRUMHNMZETKA-CJNGLKHVSA-N 3 2 294.443 0.271 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000645978106 390557771 /nfs/dbraw/zinc/55/77/71/390557771.db2.gz ROPBQOOJSRPXSG-KBPBESRZSA-N 3 2 294.443 0.271 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000645978106 390557775 /nfs/dbraw/zinc/55/77/75/390557775.db2.gz ROPBQOOJSRPXSG-KBPBESRZSA-N 3 2 294.443 0.271 20 0 CCADLP COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000520248190 390562366 /nfs/dbraw/zinc/56/23/66/390562366.db2.gz SEDPZYVVHLQGRX-OLZOCXBDSA-N 2 2 281.356 0.351 20 0 CCADLP COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000520248190 390562368 /nfs/dbraw/zinc/56/23/68/390562368.db2.gz SEDPZYVVHLQGRX-OLZOCXBDSA-N 2 2 281.356 0.351 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@](O)(CC(=O)N(C)C)C1 ZINC000643812888 390566333 /nfs/dbraw/zinc/56/63/33/390566333.db2.gz VVEVTIHUHHRFII-OAHLLOKOSA-N 2 2 294.399 0.497 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@](O)(CC(=O)N(C)C)C1 ZINC000643812888 390566338 /nfs/dbraw/zinc/56/63/38/390566338.db2.gz VVEVTIHUHHRFII-OAHLLOKOSA-N 2 2 294.399 0.497 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000566043212 390570075 /nfs/dbraw/zinc/57/00/75/390570075.db2.gz MHJWJHFDOMBEGF-CYBMUJFWSA-N 2 2 272.308 0.958 20 0 CCADLP C[C@@H](O)[C@H]1CCN(c2cc(N[C@H]3CC[NH2+]C3)nc[nH+]2)C1 ZINC000566491447 390622802 /nfs/dbraw/zinc/62/28/02/390622802.db2.gz VVDMVVYRRJSRRX-WOPDTQHZSA-N 2 2 277.372 0.458 20 0 CCADLP Cc1cnccc1C[NH2+]C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000566910519 390658320 /nfs/dbraw/zinc/65/83/20/390658320.db2.gz PJIZCQFKVQKVRM-IJEWVQPXSA-N 2 2 293.411 0.950 20 0 CCADLP Cc1cnccc1C[NH2+]C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000566910519 390658323 /nfs/dbraw/zinc/65/83/23/390658323.db2.gz PJIZCQFKVQKVRM-IJEWVQPXSA-N 2 2 293.411 0.950 20 0 CCADLP CC(C)NC(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102892 390597989 /nfs/dbraw/zinc/59/79/89/390597989.db2.gz WDDOVZBTFBASAD-UHFFFAOYSA-N 2 2 269.389 0.308 20 0 CCADLP CC(C)NC(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102892 390597992 /nfs/dbraw/zinc/59/79/92/390597992.db2.gz WDDOVZBTFBASAD-UHFFFAOYSA-N 2 2 269.389 0.308 20 0 CCADLP Cn1cc[nH+]c1CN1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104740 390599002 /nfs/dbraw/zinc/59/90/02/390599002.db2.gz WQVPFHOWWVGGKB-UHFFFAOYSA-N 2 2 264.373 0.717 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000566429002 390603402 /nfs/dbraw/zinc/60/34/02/390603402.db2.gz NXGTXIYWXWNRTO-MCIONIFRSA-N 2 2 272.389 0.036 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000566429002 390603405 /nfs/dbraw/zinc/60/34/05/390603405.db2.gz NXGTXIYWXWNRTO-MCIONIFRSA-N 2 2 272.389 0.036 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000566429002 390603407 /nfs/dbraw/zinc/60/34/07/390603407.db2.gz NXGTXIYWXWNRTO-MCIONIFRSA-N 2 2 272.389 0.036 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000566429002 390603411 /nfs/dbraw/zinc/60/34/11/390603411.db2.gz NXGTXIYWXWNRTO-MCIONIFRSA-N 2 2 272.389 0.036 20 0 CCADLP COC[C@H](O)C[NH+]1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000571294675 390729716 /nfs/dbraw/zinc/72/97/16/390729716.db2.gz AWYKJWMUTRMCCM-GXTWGEPZSA-N 2 2 272.389 0.179 20 0 CCADLP COC[C@H](O)C[NH+]1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000571294675 390729717 /nfs/dbraw/zinc/72/97/17/390729717.db2.gz AWYKJWMUTRMCCM-GXTWGEPZSA-N 2 2 272.389 0.179 20 0 CCADLP [NH3+][C@H](C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1cscn1 ZINC000646385933 390675584 /nfs/dbraw/zinc/67/55/84/390675584.db2.gz FTVVSVRCBDOMMN-MDZLAQPJSA-N 2 2 294.424 0.991 20 0 CCADLP Cc1nc(N2CCN(C(=O)[C@@H]3[NH2+]CC3(C)C)CC2)cc[nH+]1 ZINC000646481424 390687916 /nfs/dbraw/zinc/68/79/16/390687916.db2.gz JABSQVWFVBLVHG-ZDUSSCGKSA-N 2 2 289.383 0.432 20 0 CCADLP CC[C@H]([NH3+])C(=O)Nc1ccc(-c2n[nH]c(C[NH3+])n2)cc1 ZINC000647001737 390756070 /nfs/dbraw/zinc/75/60/70/390756070.db2.gz SNIXAAACODUFFO-JTQLQIEISA-N 2 2 274.328 0.606 20 0 CCADLP C[N@@H+]1CCO[C@@H]2CCN(C(=O)NCC[C@H]3CCC[NH2+]3)C[C@H]21 ZINC000572104158 390767783 /nfs/dbraw/zinc/76/77/83/390767783.db2.gz JXMCPMPDJGJSRC-MGPQQGTHSA-N 2 2 296.415 0.243 20 0 CCADLP C[N@H+]1CCO[C@@H]2CCN(C(=O)NCC[C@H]3CCC[NH2+]3)C[C@H]21 ZINC000572104158 390767785 /nfs/dbraw/zinc/76/77/85/390767785.db2.gz JXMCPMPDJGJSRC-MGPQQGTHSA-N 2 2 296.415 0.243 20 0 CCADLP C[C@@H](NC(=O)C1CC[NH+](CC(F)F)CC1)[C@H](C)[NH3+] ZINC000647068046 390769260 /nfs/dbraw/zinc/76/92/60/390769260.db2.gz MESMDCCMFCJULY-DTWKUNHWSA-N 2 2 263.332 0.815 20 0 CCADLP [NH3+][C@@H]1CCC[C@H](CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000647073660 390770007 /nfs/dbraw/zinc/77/00/07/390770007.db2.gz YOQINUZHWBUGOK-IVZWLZJFSA-N 2 2 261.316 0.617 20 0 CCADLP CC[N@@H+]1CCO[C@H](c2nc([C@@H]3CCC[NH2+]3)no2)C1 ZINC000647149738 390780281 /nfs/dbraw/zinc/78/02/81/390780281.db2.gz QTANNNUFMPRIII-UWVGGRQHSA-N 2 2 252.318 0.887 20 0 CCADLP CC[N@H+]1CCO[C@H](c2nc([C@@H]3CCC[NH2+]3)no2)C1 ZINC000647149738 390780284 /nfs/dbraw/zinc/78/02/84/390780284.db2.gz QTANNNUFMPRIII-UWVGGRQHSA-N 2 2 252.318 0.887 20 0 CCADLP C[C@@H](C(=O)N1CC[NH2+][C@@H](c2ccncc2)C1)[NH+]1CC(C)C1 ZINC000572422306 390783072 /nfs/dbraw/zinc/78/30/72/390783072.db2.gz XZARQIHIYHQKRD-DZGCQCFKSA-N 2 2 288.395 0.895 20 0 CCADLP Cc1[nH+]cc(C[NH2+]C[C@@H](CO)c2cccnc2)n1C ZINC000572424467 390783227 /nfs/dbraw/zinc/78/32/27/390783227.db2.gz HNASJIPVUKAXND-ZDUSSCGKSA-N 2 2 260.341 0.989 20 0 CCADLP [NH3+]C[C@@H](NC(=O)[C@H]([NH3+])c1cscn1)C1CCCC1 ZINC000572475163 390784573 /nfs/dbraw/zinc/78/45/73/390784573.db2.gz XIZPMGYUPGXIQS-MWLCHTKSSA-N 2 2 268.386 0.777 20 0 CCADLP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000571485462 390737846 /nfs/dbraw/zinc/73/78/46/390737846.db2.gz BSQWJPLLEPUYDX-VXGBXAGGSA-N 2 2 274.368 0.798 20 0 CCADLP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000571485462 390737848 /nfs/dbraw/zinc/73/78/48/390737848.db2.gz BSQWJPLLEPUYDX-VXGBXAGGSA-N 2 2 274.368 0.798 20 0 CCADLP C[N@@H+]1C[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCOCC3)[C@@H]2C1 ZINC000646912585 390738728 /nfs/dbraw/zinc/73/87/28/390738728.db2.gz XYVZVYOHXHZWJB-CHWSQXEVSA-N 2 2 281.400 0.260 20 0 CCADLP C[N@H+]1C[C@H]2CCN(C(=O)C(C)(C)[NH+]3CCOCC3)[C@@H]2C1 ZINC000646912585 390738730 /nfs/dbraw/zinc/73/87/30/390738730.db2.gz XYVZVYOHXHZWJB-CHWSQXEVSA-N 2 2 281.400 0.260 20 0 CCADLP C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC000646917650 390740193 /nfs/dbraw/zinc/74/01/93/390740193.db2.gz CRCKUPWJQGAGEI-SGMGOOAPSA-N 2 2 274.368 0.608 20 0 CCADLP C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC000646917650 390740194 /nfs/dbraw/zinc/74/01/94/390740194.db2.gz CRCKUPWJQGAGEI-SGMGOOAPSA-N 2 2 274.368 0.608 20 0 CCADLP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000646917649 390740401 /nfs/dbraw/zinc/74/04/01/390740401.db2.gz CRCKUPWJQGAGEI-OBJOEFQTSA-N 2 2 274.368 0.608 20 0 CCADLP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000646917649 390740404 /nfs/dbraw/zinc/74/04/04/390740404.db2.gz CRCKUPWJQGAGEI-OBJOEFQTSA-N 2 2 274.368 0.608 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H]2CCCO2)CC1 ZINC000571653830 390746751 /nfs/dbraw/zinc/74/67/51/390746751.db2.gz KNBQUMJSVZICJR-CYBMUJFWSA-N 2 2 256.390 0.990 20 0 CCADLP O[C@@H](C[NH+]1CCN(c2[nH]cc[nH+]2)CC1)C(F)(F)F ZINC000571715288 390750049 /nfs/dbraw/zinc/75/00/49/390750049.db2.gz BVVMKXBEPQAWBE-QMMMGPOBSA-N 2 2 264.251 0.455 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC000578197821 390869828 /nfs/dbraw/zinc/86/98/28/390869828.db2.gz ZRBRYWKAEGHWQP-OLZOCXBDSA-N 2 2 280.372 0.671 20 0 CCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000529328693 390809547 /nfs/dbraw/zinc/80/95/47/390809547.db2.gz VXXGOEJWRUGKSQ-FZMZJTMJSA-N 2 2 291.399 0.906 20 0 CCADLP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000529328693 390809551 /nfs/dbraw/zinc/80/95/51/390809551.db2.gz VXXGOEJWRUGKSQ-FZMZJTMJSA-N 2 2 291.399 0.906 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000572982925 390816685 /nfs/dbraw/zinc/81/66/85/390816685.db2.gz BRGRRCFSGSKGTH-NEPJUHHUSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000572982925 390816688 /nfs/dbraw/zinc/81/66/88/390816688.db2.gz BRGRRCFSGSKGTH-NEPJUHHUSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000572982925 390816690 /nfs/dbraw/zinc/81/66/90/390816690.db2.gz BRGRRCFSGSKGTH-NEPJUHHUSA-N 2 2 280.372 0.113 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000572982925 390816693 /nfs/dbraw/zinc/81/66/93/390816693.db2.gz BRGRRCFSGSKGTH-NEPJUHHUSA-N 2 2 280.372 0.113 20 0 CCADLP Cc1ccc(NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])c(C)[nH+]1 ZINC000647494523 390824256 /nfs/dbraw/zinc/82/42/56/390824256.db2.gz ZBKJJNXGYJDFBW-PSASIEDQSA-N 2 2 278.356 0.879 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@@H](CO)CC(F)F)C[C@@H](C)O1 ZINC000647535207 390834947 /nfs/dbraw/zinc/83/49/47/390834947.db2.gz XBHQTCIRLMXADI-DDHJBXDOSA-N 2 2 296.358 0.062 20 0 CCADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)C1 ZINC000647550840 390840123 /nfs/dbraw/zinc/84/01/23/390840123.db2.gz KUFXJEMYLSDUDT-HOCLYGCPSA-N 3 2 282.476 0.848 20 0 CCADLP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)C1 ZINC000647550840 390840129 /nfs/dbraw/zinc/84/01/29/390840129.db2.gz KUFXJEMYLSDUDT-HOCLYGCPSA-N 3 2 282.476 0.848 20 0 CCADLP C[C@@H]1C[NH2+]C[C@H]([NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)C1 ZINC000647551876 390840536 /nfs/dbraw/zinc/84/05/36/390840536.db2.gz UJWCUEHKHIZWED-QNWHQSFQSA-N 2 2 251.374 0.727 20 0 CCADLP C[C@H](C(=O)NCC[C@@H]1CCC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000578443554 390884120 /nfs/dbraw/zinc/88/41/20/390884120.db2.gz DRRSVAAAFUVHAC-KGLIPLIRSA-N 2 2 282.432 0.128 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533866489 390886741 /nfs/dbraw/zinc/88/67/41/390886741.db2.gz ICUVROYZJBMKCJ-WDEREUQCSA-N 2 2 293.371 0.444 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000533866489 390886743 /nfs/dbraw/zinc/88/67/43/390886743.db2.gz ICUVROYZJBMKCJ-WDEREUQCSA-N 2 2 293.371 0.444 20 0 CCADLP C[N@H+](CC(=O)N1CC(n2cc[nH+]c2)C1)[C@@H]1CCSC1 ZINC000534269235 390890349 /nfs/dbraw/zinc/89/03/49/390890349.db2.gz VGGZFZXKZFGFOI-LLVKDONJSA-N 2 2 280.397 0.704 20 0 CCADLP C[N@@H+](CC(=O)N1CC(n2cc[nH+]c2)C1)[C@@H]1CCSC1 ZINC000534269235 390890351 /nfs/dbraw/zinc/89/03/51/390890351.db2.gz VGGZFZXKZFGFOI-LLVKDONJSA-N 2 2 280.397 0.704 20 0 CCADLP CC(C)OC[C@H](O)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000578640259 390895868 /nfs/dbraw/zinc/89/58/68/390895868.db2.gz REPQFIRXKGNKSB-BNOWGMLFSA-N 2 2 256.390 0.845 20 0 CCADLP CC(C)OC[C@H](O)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000578640259 390895870 /nfs/dbraw/zinc/89/58/70/390895870.db2.gz REPQFIRXKGNKSB-BNOWGMLFSA-N 2 2 256.390 0.845 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ncccc3O)C2)CC1 ZINC000578698852 390898078 /nfs/dbraw/zinc/89/80/78/390898078.db2.gz MNTWGKROPKXWDB-CQSZACIVSA-N 2 2 290.411 0.999 20 0 CCADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ncccc3O)C2)CC1 ZINC000578698852 390898081 /nfs/dbraw/zinc/89/80/81/390898081.db2.gz MNTWGKROPKXWDB-CQSZACIVSA-N 2 2 290.411 0.999 20 0 CCADLP C/C(Cl)=C\C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000528350156 285397165 /nfs/dbraw/zinc/39/71/65/285397165.db2.gz LACAGORIDWGTCY-NYYWCZLTSA-N 2 2 259.781 0.835 20 0 CCADLP COC(=O)CC1CC([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)C1 ZINC000424354179 533325516 /nfs/dbraw/zinc/32/55/16/533325516.db2.gz SAKPFSQOHAMCHQ-RUXDESIVSA-N 2 2 284.400 0.765 20 0 CCADLP COC(=O)CC1CC([NH2+]C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC000424354179 533325517 /nfs/dbraw/zinc/32/55/17/533325517.db2.gz SAKPFSQOHAMCHQ-RUXDESIVSA-N 2 2 284.400 0.765 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC(=O)N(C)C2)C[N@H+]1C1CC1 ZINC000657695737 413048897 /nfs/dbraw/zinc/04/88/97/413048897.db2.gz CXYBRCAUAYTQHD-IJLUTSLNSA-N 2 2 251.374 0.680 20 0 CCADLP COC(=O)CC[C@H]([NH3+])C(=O)Nc1c[nH+]ccc1OC ZINC000342719944 533451163 /nfs/dbraw/zinc/45/11/63/533451163.db2.gz YHPUQVGDVMVQIX-QMMMGPOBSA-N 2 2 267.285 0.309 20 0 CCADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]2CCCC[NH2+]2)C[C@H]1C ZINC000423900663 533423610 /nfs/dbraw/zinc/42/36/10/533423610.db2.gz RXBWTGLROWRSJZ-CHWSQXEVSA-N 2 2 297.399 0.224 20 0 CCADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]2CCCC[NH2+]2)C[C@H]1C ZINC000423900663 533423614 /nfs/dbraw/zinc/42/36/14/533423614.db2.gz RXBWTGLROWRSJZ-CHWSQXEVSA-N 2 2 297.399 0.224 20 0 CCADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC(=O)N(C)C2)C[N@@H+]1C1CC1 ZINC000657695737 413048891 /nfs/dbraw/zinc/04/88/91/413048891.db2.gz CXYBRCAUAYTQHD-IJLUTSLNSA-N 2 2 251.374 0.680 20 0 CCADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@](C)(O)C1CC1 ZINC000341802538 130040782 /nfs/dbraw/zinc/04/07/82/130040782.db2.gz ADCLUHXYKDXVEB-INIZCTEOSA-N 2 2 297.443 0.632 20 0 CCADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@](C)(O)C1CC1 ZINC000341802538 130040785 /nfs/dbraw/zinc/04/07/85/130040785.db2.gz ADCLUHXYKDXVEB-INIZCTEOSA-N 2 2 297.443 0.632 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(=O)n4[nH]ccc4n3)C[C@@H]21 ZINC000342078170 130240268 /nfs/dbraw/zinc/24/02/68/130240268.db2.gz CDCZUFUGJBPSGD-WCFLWFBJSA-N 2 2 287.367 0.582 20 0 CCADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(=O)n4[nH]ccc4n3)C[C@@H]21 ZINC000342078170 130240269 /nfs/dbraw/zinc/24/02/69/130240269.db2.gz CDCZUFUGJBPSGD-WCFLWFBJSA-N 2 2 287.367 0.582 20 0 CCADLP Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n(C)n1 ZINC000342116806 130274811 /nfs/dbraw/zinc/27/48/11/130274811.db2.gz YTJHWQZAZHLXRN-RWMBFGLXSA-N 2 2 291.399 0.726 20 0 CCADLP Cc1cc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n(C)n1 ZINC000342116806 130274812 /nfs/dbraw/zinc/27/48/12/130274812.db2.gz YTJHWQZAZHLXRN-RWMBFGLXSA-N 2 2 291.399 0.726 20 0 CCADLP C[C@@H]1C[N@H+](CC(=O)NCc2ccccc2)CC[C@H]1[NH3+] ZINC000251657118 131130962 /nfs/dbraw/zinc/13/09/62/131130962.db2.gz GRPMUEYUUMSYKL-TZMCWYRMSA-N 2 2 261.369 0.972 20 0 CCADLP C[C@@H]1C[N@@H+](CC(=O)NCc2ccccc2)CC[C@H]1[NH3+] ZINC000251657118 131130963 /nfs/dbraw/zinc/13/09/63/131130963.db2.gz GRPMUEYUUMSYKL-TZMCWYRMSA-N 2 2 261.369 0.972 20 0 CCADLP C[C@H]1CC[N@H+](CC(=O)NC2CCCC2)C[C@H]1C[NH3+] ZINC000253225974 131141016 /nfs/dbraw/zinc/14/10/16/131141016.db2.gz IUJHIZPMBRPECP-NWDGAFQWSA-N 2 2 253.390 0.962 20 0 CCADLP C[C@H]1CC[N@@H+](CC(=O)NC2CCCC2)C[C@H]1C[NH3+] ZINC000253225974 131141018 /nfs/dbraw/zinc/14/10/18/131141018.db2.gz IUJHIZPMBRPECP-NWDGAFQWSA-N 2 2 253.390 0.962 20 0 CCADLP Cc1ncc(C[NH+]2CCN(C(=O)[C@H](C)C[NH3+])CC2)s1 ZINC000262303523 131209873 /nfs/dbraw/zinc/20/98/73/131209873.db2.gz BVNTXXVDMFSDNP-SNVBAGLBSA-N 2 2 282.413 0.691 20 0 CCADLP C[C@H](C[NH3+])C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000262364638 131214983 /nfs/dbraw/zinc/21/49/83/131214983.db2.gz KVVCWBWRSWLWPT-UKRRQHHQSA-N 2 2 291.395 0.459 20 0 CCADLP C[C@@H](C[NH3+])C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000262580246 131236125 /nfs/dbraw/zinc/23/61/25/131236125.db2.gz UIVVBOBYSOUKHF-ZFWWWQNUSA-N 2 2 291.395 0.771 20 0 CCADLP Cc1ccc([C@@H]([NH3+])C(=O)NCC(F)(F)C[NH3+])cc1 ZINC000262655130 131248142 /nfs/dbraw/zinc/24/81/42/131248142.db2.gz MHHMCIMCGCVWPP-SNVBAGLBSA-N 2 2 257.284 0.705 20 0 CCADLP C[C@@H](CNC(=O)NCc1[nH+]ccn1C)C[NH+]1CCOCC1 ZINC000265733342 131628597 /nfs/dbraw/zinc/62/85/97/131628597.db2.gz LBBMHZNCJASQDL-LBPRGKRZSA-N 2 2 295.387 0.188 20 0 CCADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1COCC[NH2+]1)c1ccsc1 ZINC000269230885 132137221 /nfs/dbraw/zinc/13/72/21/132137221.db2.gz IKDGDKUFDLNSMN-RYUDHWBXSA-N 2 2 283.397 0.455 20 0 CCADLP C[C@H](Cn1cc[nH+]c1)NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000269267396 132146775 /nfs/dbraw/zinc/14/67/75/132146775.db2.gz ZVVLEWHWEPSLOM-NEPJUHHUSA-N 2 2 266.345 0.156 20 0 CCADLP CC(C)[C@H]([NH3+])CNC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000269284191 132149125 /nfs/dbraw/zinc/14/91/25/132149125.db2.gz RPSRSLXDDFJZOF-GFCCVEGCSA-N 2 2 273.340 0.980 20 0 CCADLP COC[C@@H](CC1CCOCC1)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000657880089 413071435 /nfs/dbraw/zinc/07/14/35/413071435.db2.gz OHGSSIKJILBPQU-CVEARBPZSA-N 2 2 299.459 0.654 20 0 CCADLP COC[C@@H](CC1CCOCC1)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000657880089 413071439 /nfs/dbraw/zinc/07/14/39/413071439.db2.gz OHGSSIKJILBPQU-CVEARBPZSA-N 2 2 299.459 0.654 20 0 CCADLP C[C@H](Cn1cncn1)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000657893358 413073793 /nfs/dbraw/zinc/07/37/93/413073793.db2.gz YLOGHNVXUHJDCO-QWHCGFSZSA-N 2 2 267.377 0.225 20 0 CCADLP CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1COCC[NH+]1CC ZINC000356606268 144018634 /nfs/dbraw/zinc/01/86/34/144018634.db2.gz VWYAOHLRVOMIQK-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1COCC[NH+]1CC ZINC000356606268 144018635 /nfs/dbraw/zinc/01/86/35/144018635.db2.gz VWYAOHLRVOMIQK-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1COCC[N@@H+]1CC ZINC000356606268 144018637 /nfs/dbraw/zinc/01/86/37/144018637.db2.gz VWYAOHLRVOMIQK-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1COCC[N@H+]1CC ZINC000356606268 144018638 /nfs/dbraw/zinc/01/86/38/144018638.db2.gz VWYAOHLRVOMIQK-KGLIPLIRSA-N 2 2 285.432 0.944 20 0 CCADLP Cc1ncc(C[NH+]2CCN(CCOCC[NH3+])CC2)s1 ZINC000357075319 144057125 /nfs/dbraw/zinc/05/71/25/144057125.db2.gz GVOJPBWEJLVIJT-UHFFFAOYSA-N 2 2 284.429 0.544 20 0 CCADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccoc1 ZINC000357321002 144081614 /nfs/dbraw/zinc/08/16/14/144081614.db2.gz ZZZOUXLFIBKOMB-UHFFFAOYSA-N 2 2 251.330 0.485 20 0 CCADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccoc1 ZINC000357321002 144081615 /nfs/dbraw/zinc/08/16/15/144081615.db2.gz ZZZOUXLFIBKOMB-UHFFFAOYSA-N 2 2 251.330 0.485 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000358865060 144183829 /nfs/dbraw/zinc/18/38/29/144183829.db2.gz YXSJPTWMFJJMKA-GFCCVEGCSA-N 2 2 276.315 0.918 20 0 CCADLP [NH3+]C[C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000358865347 144184009 /nfs/dbraw/zinc/18/40/09/144184009.db2.gz ZTYJWOBTRHHIEA-CQSZACIVSA-N 2 2 295.358 0.316 20 0 CCADLP C[NH+](C)CCOCCNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000359147467 144196902 /nfs/dbraw/zinc/19/69/02/144196902.db2.gz UEIQULQVKZRLTK-LLVKDONJSA-N 2 2 295.387 0.144 20 0 CCADLP C[NH+](C)CCOCCNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000359147467 144196904 /nfs/dbraw/zinc/19/69/04/144196904.db2.gz UEIQULQVKZRLTK-LLVKDONJSA-N 2 2 295.387 0.144 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH+]1CCOC[C@H]1C ZINC000359259801 144207489 /nfs/dbraw/zinc/20/74/89/144207489.db2.gz GYLMDCCSWKBQDS-GFCCVEGCSA-N 2 2 257.378 0.165 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH+]1CCOC[C@H]1C ZINC000359259801 144207490 /nfs/dbraw/zinc/20/74/90/144207490.db2.gz GYLMDCCSWKBQDS-GFCCVEGCSA-N 2 2 257.378 0.165 20 0 CCADLP CCC[NH+](C)CC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC000359259801 144207491 /nfs/dbraw/zinc/20/74/91/144207491.db2.gz GYLMDCCSWKBQDS-GFCCVEGCSA-N 2 2 257.378 0.165 20 0 CCADLP CCC[NH+](C)CC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC000359259801 144207492 /nfs/dbraw/zinc/20/74/92/144207492.db2.gz GYLMDCCSWKBQDS-GFCCVEGCSA-N 2 2 257.378 0.165 20 0 CCADLP Cc1ocnc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369272543 144260915 /nfs/dbraw/zinc/26/09/15/144260915.db2.gz BUURENMWYQKNFS-GFCCVEGCSA-N 2 2 292.383 0.881 20 0 CCADLP Cc1ocnc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369272543 144260917 /nfs/dbraw/zinc/26/09/17/144260917.db2.gz BUURENMWYQKNFS-GFCCVEGCSA-N 2 2 292.383 0.881 20 0 CCADLP C[N@H+]1C[C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)nc3)C[C@H]2C1 ZINC000370682153 144312215 /nfs/dbraw/zinc/31/22/15/144312215.db2.gz DTOWCXQQFAIKKB-OKILXGFUSA-N 2 2 297.362 0.901 20 0 CCADLP C[N@@H+]1C[C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)nc3)C[C@H]2C1 ZINC000370682153 144312217 /nfs/dbraw/zinc/31/22/17/144312217.db2.gz DTOWCXQQFAIKKB-OKILXGFUSA-N 2 2 297.362 0.901 20 0 CCADLP Cc1nc(N2CC[C@@]3(CC[N@H+](C)C3)C2)nc(N(C)C)[nH+]1 ZINC000488752260 397558771 /nfs/dbraw/zinc/55/87/71/397558771.db2.gz OJDYIGHULBMZNI-CQSZACIVSA-N 2 2 276.388 0.778 20 0 CCADLP Cc1nc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)nc(N(C)C)[nH+]1 ZINC000488752260 397558776 /nfs/dbraw/zinc/55/87/76/397558776.db2.gz OJDYIGHULBMZNI-CQSZACIVSA-N 2 2 276.388 0.778 20 0 CCADLP Cc1ncncc1[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000571938089 397579976 /nfs/dbraw/zinc/57/99/76/397579976.db2.gz ACFPSWGUSLJDEZ-RISCZKNCSA-N 2 2 291.399 0.775 20 0 CCADLP Cc1ncncc1[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000571938089 397579978 /nfs/dbraw/zinc/57/99/78/397579978.db2.gz ACFPSWGUSLJDEZ-RISCZKNCSA-N 2 2 291.399 0.775 20 0 CCADLP Cc1ncsc1CC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649684800 397655172 /nfs/dbraw/zinc/65/51/72/397655172.db2.gz CEUBXUHUHXJQIT-UHFFFAOYSA-N 2 2 296.440 0.700 20 0 CCADLP Cc1ncsc1CC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649684800 397655175 /nfs/dbraw/zinc/65/51/75/397655175.db2.gz CEUBXUHUHXJQIT-UHFFFAOYSA-N 2 2 296.440 0.700 20 0 CCADLP Cc1cc(N2CC[C@H]([NH+]3CCC(C)([NH3+])CC3)C2=O)n(C)n1 ZINC000649416048 397609805 /nfs/dbraw/zinc/60/98/05/397609805.db2.gz JVGKUXNEXLMSBD-LBPRGKRZSA-N 2 2 291.399 0.647 20 0 CCADLP Cc1cncc(CC[NH+]2CCC([N@H+](C)CCO)CC2)n1 ZINC000649515005 397626313 /nfs/dbraw/zinc/62/63/13/397626313.db2.gz DFZZTBYHYRABGT-UHFFFAOYSA-N 2 2 278.400 0.716 20 0 CCADLP Cc1cncc(CC[NH+]2CCC([N@@H+](C)CCO)CC2)n1 ZINC000649515005 397626315 /nfs/dbraw/zinc/62/63/15/397626315.db2.gz DFZZTBYHYRABGT-UHFFFAOYSA-N 2 2 278.400 0.716 20 0 CCADLP CC[NH+]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000548079571 286003563 /nfs/dbraw/zinc/00/35/63/286003563.db2.gz GTEPQWSOUBSSRY-UHFFFAOYSA-N 2 2 250.346 0.851 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCc1c[nH+]cn1C ZINC000548132966 286009241 /nfs/dbraw/zinc/00/92/41/286009241.db2.gz KNECZLUKEGIQPE-LBPRGKRZSA-N 2 2 280.372 0.047 20 0 CCADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548609233 286051602 /nfs/dbraw/zinc/05/16/02/286051602.db2.gz WMDMGTTZLVIQMV-NWDGAFQWSA-N 2 2 288.355 0.782 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NCCCn2cc[nH+]c2)C1 ZINC000552845130 286173925 /nfs/dbraw/zinc/17/39/25/286173925.db2.gz KWTLJQGGNQYBRG-GFCCVEGCSA-N 2 2 250.346 0.731 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NCCCn2cc[nH+]c2)C1 ZINC000552845130 286173929 /nfs/dbraw/zinc/17/39/29/286173929.db2.gz KWTLJQGGNQYBRG-GFCCVEGCSA-N 2 2 250.346 0.731 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)C[NH+]2CC(C)(C)C2)n1C ZINC000553126593 286181196 /nfs/dbraw/zinc/18/11/96/286181196.db2.gz NVIYJUJIUOBRJJ-UHFFFAOYSA-N 2 2 279.388 0.444 20 0 CCADLP C[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1[nH+]ccn1C ZINC000659026144 413261135 /nfs/dbraw/zinc/26/11/35/413261135.db2.gz XZJAFYDRMPXYLK-BQBZGAKWSA-N 2 2 279.266 0.670 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC(=O)NC1CC1 ZINC000371301930 289334091 /nfs/dbraw/zinc/33/40/91/289334091.db2.gz WOOXEFLLKATCTE-RDBSUJKOSA-N 2 2 281.400 0.449 20 0 CCADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC(=O)NC1CC1 ZINC000371301930 289334094 /nfs/dbraw/zinc/33/40/94/289334094.db2.gz WOOXEFLLKATCTE-RDBSUJKOSA-N 2 2 281.400 0.449 20 0 CCADLP COCCCNC(=O)C[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000340712639 292356331 /nfs/dbraw/zinc/35/63/31/292356331.db2.gz QIRRVVHZAXHPJL-CYBMUJFWSA-N 2 2 257.378 0.071 20 0 CCADLP COCCCNC(=O)C[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000340712639 292356332 /nfs/dbraw/zinc/35/63/32/292356332.db2.gz QIRRVVHZAXHPJL-CYBMUJFWSA-N 2 2 257.378 0.071 20 0 CCADLP COCCCNC(=O)C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420376980 292358449 /nfs/dbraw/zinc/35/84/49/292358449.db2.gz VUWWSLGPNSZHCA-DMDPSCGWSA-N 2 2 257.378 0.115 20 0 CCADLP COCCCNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424329416 292362381 /nfs/dbraw/zinc/36/23/81/292362381.db2.gz GHZRUNBLXMEZQR-QJPTWQEYSA-N 2 2 257.378 0.387 20 0 CCADLP CCCNC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000122833892 411707865 /nfs/dbraw/zinc/70/78/65/411707865.db2.gz HQVPJBVIOVQWQO-CHWSQXEVSA-N 2 2 298.431 0.030 20 0 CCADLP CCCNC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000122833892 411707867 /nfs/dbraw/zinc/70/78/67/411707867.db2.gz HQVPJBVIOVQWQO-CHWSQXEVSA-N 2 2 298.431 0.030 20 0 CCADLP CNC(=O)[C@H](CC(C)C)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000133788052 411729454 /nfs/dbraw/zinc/72/94/54/411729454.db2.gz FQRFDRZZVGVZOK-UPJWGTAASA-N 2 2 271.405 0.504 20 0 CCADLP CC[N@H+](C[C@H](O)C[NH+](C)CCOC)[C@H]1CCCOC1 ZINC000402717047 411783326 /nfs/dbraw/zinc/78/33/26/411783326.db2.gz VIRQXWWBDADCQH-UONOGXRCSA-N 2 2 274.405 0.426 20 0 CCADLP CC[N@@H+](C[C@H](O)C[NH+](C)CCOC)[C@H]1CCCOC1 ZINC000402717047 411783331 /nfs/dbraw/zinc/78/33/31/411783331.db2.gz VIRQXWWBDADCQH-UONOGXRCSA-N 2 2 274.405 0.426 20 0 CCADLP CC[NH+](C[C@H](O)C[N@H+](C)CCOC)[C@H]1CCCOC1 ZINC000402717047 411783334 /nfs/dbraw/zinc/78/33/34/411783334.db2.gz VIRQXWWBDADCQH-UONOGXRCSA-N 2 2 274.405 0.426 20 0 CCADLP CC[NH+](C[C@H](O)C[N@@H+](C)CCOC)[C@H]1CCCOC1 ZINC000402717047 411783339 /nfs/dbraw/zinc/78/33/39/411783339.db2.gz VIRQXWWBDADCQH-UONOGXRCSA-N 2 2 274.405 0.426 20 0 CCADLP CC[C@@H]1COC(C)(C)C[N@@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000403824530 411789468 /nfs/dbraw/zinc/78/94/68/411789468.db2.gz OSZCTYGBHIGIHL-ZIAGYGMSSA-N 2 2 288.432 0.815 20 0 CCADLP CC[C@@H]1COC(C)(C)C[N@H+]1C[C@H](O)C[NH+](C)CCOC ZINC000403824530 411789470 /nfs/dbraw/zinc/78/94/70/411789470.db2.gz OSZCTYGBHIGIHL-ZIAGYGMSSA-N 2 2 288.432 0.815 20 0 CCADLP CC[C@@H]1COC(C)(C)C[NH+]1C[C@H](O)C[N@H+](C)CCOC ZINC000403824530 411789472 /nfs/dbraw/zinc/78/94/72/411789472.db2.gz OSZCTYGBHIGIHL-ZIAGYGMSSA-N 2 2 288.432 0.815 20 0 CCADLP CC[C@@H]1COC(C)(C)C[NH+]1C[C@H](O)C[N@@H+](C)CCOC ZINC000403824530 411789475 /nfs/dbraw/zinc/78/94/75/411789475.db2.gz OSZCTYGBHIGIHL-ZIAGYGMSSA-N 2 2 288.432 0.815 20 0 CCADLP CCO[C@@H]1C[N@H+](CC(=O)NCc2cccs2)C[C@H]1C[NH3+] ZINC000405440661 411801839 /nfs/dbraw/zinc/80/18/39/411801839.db2.gz LAWSXDVGNSSJPG-DGCLKSJQSA-N 2 2 297.424 0.660 20 0 CCADLP CCO[C@@H]1C[N@@H+](CC(=O)NCc2cccs2)C[C@H]1C[NH3+] ZINC000405440661 411801844 /nfs/dbraw/zinc/80/18/44/411801844.db2.gz LAWSXDVGNSSJPG-DGCLKSJQSA-N 2 2 297.424 0.660 20 0 CCADLP O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000407245872 411804219 /nfs/dbraw/zinc/80/42/19/411804219.db2.gz ALANSFDMLQURCS-KFWWJZLASA-N 2 2 293.411 0.450 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)NCCC1CC[NH2+]CC1 ZINC000652128050 411990165 /nfs/dbraw/zinc/99/01/65/411990165.db2.gz MXAPHJXJKFIQBH-CYBMUJFWSA-N 2 2 298.431 0.396 20 0 CCADLP CCCNC(=O)[C@@H](C)[NH+]1CCC([NH2+]CCOC)CC1 ZINC000652345328 412033794 /nfs/dbraw/zinc/03/37/94/412033794.db2.gz ZLVRAIRVDRAIAG-GFCCVEGCSA-N 2 2 271.405 0.602 20 0 CCADLP CS(=O)(=O)CC1(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC000652352750 412036635 /nfs/dbraw/zinc/03/66/35/412036635.db2.gz UDKMOIGEACBZFQ-JSGCOSHPSA-N 2 2 286.441 0.872 20 0 CCADLP CS(=O)(=O)CC1(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC000652352750 412036640 /nfs/dbraw/zinc/03/66/40/412036640.db2.gz UDKMOIGEACBZFQ-JSGCOSHPSA-N 2 2 286.441 0.872 20 0 CCADLP CCO[C@@H]1CN(C(=O)Nc2cc[nH+]c(C)c2)C[C@H]1C[NH3+] ZINC000652589305 412072996 /nfs/dbraw/zinc/07/29/96/412072996.db2.gz UILGMXDPXHESEL-DGCLKSJQSA-N 2 2 278.356 0.639 20 0 CCADLP C[NH2+][C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000653043863 412198333 /nfs/dbraw/zinc/19/83/33/412198333.db2.gz GGFJRIXDXSRJLH-NSHDSACASA-N 2 2 262.357 0.582 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000653048923 412200893 /nfs/dbraw/zinc/20/08/93/412200893.db2.gz GCWOUQKESQFXMY-OLZOCXBDSA-N 3 2 264.373 0.082 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000653051351 412202006 /nfs/dbraw/zinc/20/20/06/412202006.db2.gz WJBDGJYQMJAXMW-OLZOCXBDSA-N 3 2 270.421 0.289 20 0 CCADLP C[C@H](CC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)n1cc[nH+]c1 ZINC000653055641 412203821 /nfs/dbraw/zinc/20/38/21/412203821.db2.gz JFXPHLBBAULRQA-WOPDTQHZSA-N 2 2 266.345 0.409 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1ccccc1F ZINC000653058375 412205165 /nfs/dbraw/zinc/20/51/65/412205165.db2.gz POKNPFMSXVHTRN-LBPRGKRZSA-N 2 2 253.321 0.721 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1ccc(F)cc1 ZINC000653057850 412205441 /nfs/dbraw/zinc/20/54/41/412205441.db2.gz SJEDMQCERXJADN-LBPRGKRZSA-N 2 2 253.321 0.721 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccn(-c2ccccc2)n1 ZINC000653064071 412207006 /nfs/dbraw/zinc/20/70/06/412207006.db2.gz FCKIXWVRGGYMCI-CYBMUJFWSA-N 2 2 287.367 0.512 20 0 CCADLP COc1cc(CNC(=O)[C@H]([NH3+])CC[NH+](C)C)ccc1C ZINC000653078061 412210376 /nfs/dbraw/zinc/21/03/76/412210376.db2.gz TYFJMFGZOSZTTE-CYBMUJFWSA-N 2 2 279.384 0.899 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H](O)CC(C)(C)C ZINC000653092683 412215593 /nfs/dbraw/zinc/21/55/93/412215593.db2.gz IFRYIYOCPPQEAA-QWRGUYRKSA-N 2 2 259.394 0.179 20 0 CCADLP COC1CCC(N(C)C(=O)[C@H]([NH3+])CC[NH+](C)C)CC1 ZINC000653089975 412213903 /nfs/dbraw/zinc/21/39/03/412213903.db2.gz ACVKMMXPUUCPOJ-WXRRBKDZSA-N 2 2 271.405 0.681 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CNc2ccccc2C1 ZINC000653210629 412259618 /nfs/dbraw/zinc/25/96/18/412259618.db2.gz CYJHVXBDIVCWDK-OLZOCXBDSA-N 2 2 276.384 0.418 20 0 CCADLP CCCC[C@H](COC)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653093616 412216304 /nfs/dbraw/zinc/21/63/04/412216304.db2.gz IJJBVNNAFLEPSR-NEPJUHHUSA-N 2 2 259.394 0.587 20 0 CCADLP CC(C)C[C@H](CCO)CNC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653101879 412218419 /nfs/dbraw/zinc/21/84/19/412218419.db2.gz IVFGIXUVFRDSES-STQMWFEESA-N 2 2 273.421 0.426 20 0 CCADLP CCc1noc(CC)c1CNC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653103571 412218483 /nfs/dbraw/zinc/21/84/83/412218483.db2.gz MDQYYFMJWXLKQG-LLVKDONJSA-N 2 2 282.388 0.695 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000653109614 412221798 /nfs/dbraw/zinc/22/17/98/412221798.db2.gz HKJHEEWLPUSQPF-CQSZACIVSA-N 3 2 284.448 0.646 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000653109614 412221801 /nfs/dbraw/zinc/22/18/01/412221801.db2.gz HKJHEEWLPUSQPF-CQSZACIVSA-N 3 2 284.448 0.646 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000653111601 412224004 /nfs/dbraw/zinc/22/40/04/412224004.db2.gz UNYHZJOOGGWNMA-KGLIPLIRSA-N 3 2 282.432 0.352 20 0 CCADLP O=C(NCCCNc1cccc[nH+]1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653110808 412224238 /nfs/dbraw/zinc/22/42/38/412224238.db2.gz VGNQSTTYNUEQHY-WFASDCNBSA-N 2 2 290.367 0.236 20 0 CCADLP CN(CCN(C)c1ccccc1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653118364 412227827 /nfs/dbraw/zinc/22/78/27/412227827.db2.gz JRAZTRNJBTWGPF-OAHLLOKOSA-N 2 2 292.427 0.860 20 0 CCADLP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653121759 412229095 /nfs/dbraw/zinc/22/90/95/412229095.db2.gz BBKKTGGFEBSCTB-UONOGXRCSA-N 3 2 284.448 0.598 20 0 CCADLP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653121759 412229101 /nfs/dbraw/zinc/22/91/01/412229101.db2.gz BBKKTGGFEBSCTB-UONOGXRCSA-N 3 2 284.448 0.598 20 0 CCADLP CN(CCc1ccncc1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653125671 412233974 /nfs/dbraw/zinc/23/39/74/412233974.db2.gz QBFHDYLVOUBNTK-CYBMUJFWSA-N 2 2 264.373 0.362 20 0 CCADLP Cc1cnc(CCN(C)C(=O)[C@@H]([NH3+])CC[NH+](C)C)s1 ZINC000653152973 412245872 /nfs/dbraw/zinc/24/58/72/412245872.db2.gz DEFZZBMICBDBSN-NSHDSACASA-N 2 2 284.429 0.731 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@](C)(CO)c1cccc(O)c1 ZINC000653677611 412334147 /nfs/dbraw/zinc/33/41/47/412334147.db2.gz ZFXQHSHSKIRMPK-GJZGRUSLSA-N 2 2 282.384 0.502 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@](C)(CO)c1cccc(O)c1 ZINC000653677611 412334150 /nfs/dbraw/zinc/33/41/50/412334150.db2.gz ZFXQHSHSKIRMPK-GJZGRUSLSA-N 2 2 282.384 0.502 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]2COC[C@@H]21 ZINC000653760050 412342806 /nfs/dbraw/zinc/34/28/06/412342806.db2.gz DLDGIOYSCFQUMS-MCIONIFRSA-N 2 2 272.389 0.036 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000653760050 412342816 /nfs/dbraw/zinc/34/28/16/412342816.db2.gz DLDGIOYSCFQUMS-MCIONIFRSA-N 2 2 272.389 0.036 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000653760050 412342819 /nfs/dbraw/zinc/34/28/19/412342819.db2.gz DLDGIOYSCFQUMS-MCIONIFRSA-N 2 2 272.389 0.036 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1C1(O)CC1 ZINC000653758004 412343584 /nfs/dbraw/zinc/34/35/84/412343584.db2.gz LPARIEIYIBXTOQ-ZIAGYGMSSA-N 2 2 286.416 0.305 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1C1(O)CC1 ZINC000653758004 412343585 /nfs/dbraw/zinc/34/35/85/412343585.db2.gz LPARIEIYIBXTOQ-ZIAGYGMSSA-N 2 2 286.416 0.305 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000653758004 412343590 /nfs/dbraw/zinc/34/35/90/412343590.db2.gz LPARIEIYIBXTOQ-ZIAGYGMSSA-N 2 2 286.416 0.305 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000653758004 412343592 /nfs/dbraw/zinc/34/35/92/412343592.db2.gz LPARIEIYIBXTOQ-ZIAGYGMSSA-N 2 2 286.416 0.305 20 0 CCADLP C[C@H](CNc1ccccc1)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653347109 412292123 /nfs/dbraw/zinc/29/21/23/412292123.db2.gz SGGOMPCIBJCODR-OCCSQVGLSA-N 2 2 278.400 0.882 20 0 CCADLP Cc1c[nH+]ccc1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000654757698 412436024 /nfs/dbraw/zinc/43/60/24/412436024.db2.gz FINMRXKMBWGXKC-UHFFFAOYSA-N 2 2 273.340 0.822 20 0 CCADLP CCn1cc[nH+]c1CNC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000655124964 412482007 /nfs/dbraw/zinc/48/20/07/412482007.db2.gz CAUSHYHOBZSMQM-LLVKDONJSA-N 2 2 250.346 0.859 20 0 CCADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000654878607 412447385 /nfs/dbraw/zinc/44/73/85/412447385.db2.gz YIYKILJHWIFXIP-ZDUSSCGKSA-N 2 2 285.432 0.801 20 0 CCADLP C[C@H]([C@H](C)NC(=O)NCC12CC(C1)C[NH2+]2)[NH+]1CCOCC1 ZINC000659450287 413508310 /nfs/dbraw/zinc/50/83/10/413508310.db2.gz KFDQUCGDBOPVTM-HJZMNPPUSA-N 2 2 296.415 0.147 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000659455796 413513525 /nfs/dbraw/zinc/51/35/25/413513525.db2.gz DBKFJGKZXCIWCG-QWHCGFSZSA-N 3 2 297.447 0.062 20 0 CCADLP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000659455796 413513533 /nfs/dbraw/zinc/51/35/33/413513533.db2.gz DBKFJGKZXCIWCG-QWHCGFSZSA-N 3 2 297.447 0.062 20 0 CCADLP C[C@@H]1CCN(C(=O)NCCc2cn(C)c[nH+]2)[C@H](C[NH3+])C1 ZINC000659503958 413560538 /nfs/dbraw/zinc/56/05/38/413560538.db2.gz XXDRSHPICNPEFB-YPMHNXCESA-N 2 2 279.388 0.731 20 0 CCADLP CCC[NH2+]CCNC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659525458 413597016 /nfs/dbraw/zinc/59/70/16/413597016.db2.gz QZYIPBDVXKRGOU-ZDUSSCGKSA-N 2 2 284.404 0.102 20 0 CCADLP C[C@H]([NH3+])CNC(=O)N(CC[NH+]1CCOCC1)CC1CC1 ZINC000659540311 413628187 /nfs/dbraw/zinc/62/81/87/413628187.db2.gz VFWIAANKSWLDLT-LBPRGKRZSA-N 2 2 284.404 0.087 20 0 CCADLP Cc1ccncc1CCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000659565415 413660224 /nfs/dbraw/zinc/66/02/24/413660224.db2.gz ZVQTVBKBNSKIJM-AWEZNQCLSA-N 2 2 291.399 0.217 20 0 CCADLP Cc1ccncc1CCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000659565415 413660230 /nfs/dbraw/zinc/66/02/30/413660230.db2.gz ZVQTVBKBNSKIJM-AWEZNQCLSA-N 2 2 291.399 0.217 20 0 CCADLP [NH3+]C1(CNC(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)CCCC1 ZINC000659574698 413672675 /nfs/dbraw/zinc/67/26/75/413672675.db2.gz FDHPVZHRTADNTN-CYBMUJFWSA-N 2 2 296.415 0.374 20 0 CCADLP C[C@H](NC(=O)NCC1([NH3+])CCC1)c1[nH+]ccn1C ZINC000659529672 413608059 /nfs/dbraw/zinc/60/80/59/413608059.db2.gz LYXKMNVGOLEXAP-VIFPVBQESA-N 2 2 251.334 0.662 20 0 CCADLP CN(Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000659535196 413617822 /nfs/dbraw/zinc/61/78/22/413617822.db2.gz IIGFTERVGHEXIG-SNVBAGLBSA-N 2 2 251.334 0.693 20 0 CCADLP CN(Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000659535196 413617831 /nfs/dbraw/zinc/61/78/31/413617831.db2.gz IIGFTERVGHEXIG-SNVBAGLBSA-N 2 2 251.334 0.693 20 0 CCADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659536554 413621240 /nfs/dbraw/zinc/62/12/40/413621240.db2.gz IJSBICCCOZAOOW-HZSPNIEDSA-N 2 2 296.415 0.101 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@H]2C(C)(C)C2(F)F)[C@H](C[NH3+])C1 ZINC000659609611 413691948 /nfs/dbraw/zinc/69/19/48/413691948.db2.gz KINRLTOUEPAXQY-ZJUUUORDSA-N 2 2 290.358 0.562 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@H]2C(C)(C)C2(F)F)[C@H](C[NH3+])C1 ZINC000659609611 413691956 /nfs/dbraw/zinc/69/19/56/413691956.db2.gz KINRLTOUEPAXQY-ZJUUUORDSA-N 2 2 290.358 0.562 20 0 CCADLP C[C@H](NC(=O)N1CC[NH2+][C@@H](C)C1)c1[nH+]ccn1C ZINC000659628533 413725550 /nfs/dbraw/zinc/72/55/50/413725550.db2.gz QOEUTCWFCAKYMC-UWVGGRQHSA-N 2 2 251.334 0.484 20 0 CCADLP C[C@H](O)C[NH+]1CCN(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000659873887 413935234 /nfs/dbraw/zinc/93/52/34/413935234.db2.gz AVKDGRYEKYGUFD-KKUMJFAQSA-N 2 2 285.432 0.094 20 0 CCADLP C[C@@H]([NH2+]C1CC[NH+](C)CC1)C(=O)NCc1ccco1 ZINC000037249576 173062310 /nfs/dbraw/zinc/06/23/10/173062310.db2.gz UJRVICREJSBZFQ-LLVKDONJSA-N 2 2 265.357 0.968 20 0 CCADLP C[C@@H]1CN(C(=O)C[NH+]2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000037408997 173184629 /nfs/dbraw/zinc/18/46/29/173184629.db2.gz NUFRKKHOAGWNES-PHIMTYICSA-N 2 2 255.362 0.045 20 0 CCADLP C[C@@H]1C[NH+](CCN2CC[NH+]([C@H]3CCOC3)CC2)C[C@@H](C)O1 ZINC000660125346 414133163 /nfs/dbraw/zinc/13/31/63/414133163.db2.gz HACZYSKLISTRFS-OAGGEKHMSA-N 2 2 297.443 0.502 20 0 CCADLP C[N@H+](CCc1cn[nH]n1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000660420640 414307074 /nfs/dbraw/zinc/30/70/74/414307074.db2.gz SFOSJHQHAXTTQF-NSHDSACASA-N 2 2 260.345 0.738 20 0 CCADLP C[N@@H+](CCc1cn[nH]n1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000660420640 414307080 /nfs/dbraw/zinc/30/70/80/414307080.db2.gz SFOSJHQHAXTTQF-NSHDSACASA-N 2 2 260.345 0.738 20 0 CCADLP C[N@H+](CCc1c[nH]nn1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000660420640 414307085 /nfs/dbraw/zinc/30/70/85/414307085.db2.gz SFOSJHQHAXTTQF-NSHDSACASA-N 2 2 260.345 0.738 20 0 CCADLP C[N@@H+](CCc1c[nH]nn1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000660420640 414307092 /nfs/dbraw/zinc/30/70/92/414307092.db2.gz SFOSJHQHAXTTQF-NSHDSACASA-N 2 2 260.345 0.738 20 0 CCADLP O=C1NCCN1CC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660476493 414351138 /nfs/dbraw/zinc/35/11/38/414351138.db2.gz ZAEBRAQAHWFWQJ-AWEZNQCLSA-N 2 2 296.415 0.198 20 0 CCADLP O=C1NCCN1CC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000660476493 414351145 /nfs/dbraw/zinc/35/11/45/414351145.db2.gz ZAEBRAQAHWFWQJ-AWEZNQCLSA-N 2 2 296.415 0.198 20 0 CCADLP CCN1CC[C@@H]([N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000660484656 414354808 /nfs/dbraw/zinc/35/48/08/414354808.db2.gz ZUTYLBUXPYHTGV-LSDHHAIUSA-N 2 2 295.427 0.651 20 0 CCADLP CCN1CC[C@@H]([N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)C1=O ZINC000660484656 414354813 /nfs/dbraw/zinc/35/48/13/414354813.db2.gz ZUTYLBUXPYHTGV-LSDHHAIUSA-N 2 2 295.427 0.651 20 0 CCADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000660453871 414331853 /nfs/dbraw/zinc/33/18/53/414331853.db2.gz SDOGUUOCFKOIPF-KFWWJZLASA-N 2 2 286.416 0.567 20 0 CCADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000660453871 414331854 /nfs/dbraw/zinc/33/18/54/414331854.db2.gz SDOGUUOCFKOIPF-KFWWJZLASA-N 2 2 286.416 0.567 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000660453871 414331860 /nfs/dbraw/zinc/33/18/60/414331860.db2.gz SDOGUUOCFKOIPF-KFWWJZLASA-N 2 2 286.416 0.567 20 0 CCADLP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000660453871 414331865 /nfs/dbraw/zinc/33/18/65/414331865.db2.gz SDOGUUOCFKOIPF-KFWWJZLASA-N 2 2 286.416 0.567 20 0 CCADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)N1CCC1)C2 ZINC000660656529 414433016 /nfs/dbraw/zinc/43/30/16/414433016.db2.gz VJHVEQAXKBCZAA-CQSZACIVSA-N 2 2 251.374 0.636 20 0 CCADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)N1CCC1)C2 ZINC000660656529 414433018 /nfs/dbraw/zinc/43/30/18/414433018.db2.gz VJHVEQAXKBCZAA-CQSZACIVSA-N 2 2 251.374 0.636 20 0 CCADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC(=O)N1CCC1)C2 ZINC000660656529 414433024 /nfs/dbraw/zinc/43/30/24/414433024.db2.gz VJHVEQAXKBCZAA-CQSZACIVSA-N 2 2 251.374 0.636 20 0 CCADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC(=O)N1CCC1)C2 ZINC000660656529 414433027 /nfs/dbraw/zinc/43/30/27/414433027.db2.gz VJHVEQAXKBCZAA-CQSZACIVSA-N 2 2 251.374 0.636 20 0 CCADLP C[C@H]1NC(=O)N(CC[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000660665097 414433556 /nfs/dbraw/zinc/43/35/56/414433556.db2.gz UDUBBWBIODAHAM-IUODEOHRSA-N 2 2 294.399 0.344 20 0 CCADLP C[C@H]1NC(=O)N(CC[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)C1=O ZINC000660665097 414433559 /nfs/dbraw/zinc/43/35/59/414433559.db2.gz UDUBBWBIODAHAM-IUODEOHRSA-N 2 2 294.399 0.344 20 0 CCADLP C[C@H]1NC(=O)N(CC[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)C1=O ZINC000660665097 414433563 /nfs/dbraw/zinc/43/35/63/414433563.db2.gz UDUBBWBIODAHAM-IUODEOHRSA-N 2 2 294.399 0.344 20 0 CCADLP C[C@H]1NC(=O)N(CC[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)C1=O ZINC000660665097 414433566 /nfs/dbraw/zinc/43/35/66/414433566.db2.gz UDUBBWBIODAHAM-IUODEOHRSA-N 2 2 294.399 0.344 20 0 CCADLP Cc1[nH+]ccn1CCN1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000660726077 414462757 /nfs/dbraw/zinc/46/27/57/414462757.db2.gz SLXFNRNYIIBZLM-BETUJISGSA-N 2 2 266.389 0.578 20 0 CCADLP Cc1[nH+]ccn1CCN1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000660726077 414462761 /nfs/dbraw/zinc/46/27/61/414462761.db2.gz SLXFNRNYIIBZLM-BETUJISGSA-N 2 2 266.389 0.578 20 0 CCADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000660726077 414462766 /nfs/dbraw/zinc/46/27/66/414462766.db2.gz SLXFNRNYIIBZLM-BETUJISGSA-N 2 2 266.389 0.578 20 0 CCADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000660726077 414462769 /nfs/dbraw/zinc/46/27/69/414462769.db2.gz SLXFNRNYIIBZLM-BETUJISGSA-N 2 2 266.389 0.578 20 0 CCADLP CN(C)c1[nH+]cc(CNC(=O)N(C)CC2C[NH+](C)C2)n1C ZINC000660856495 414510513 /nfs/dbraw/zinc/51/05/13/414510513.db2.gz MWWUQUIIRPQWKT-UHFFFAOYSA-N 2 2 294.403 0.189 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](CO)Cc1ccccc1 ZINC000661093574 414556017 /nfs/dbraw/zinc/55/60/17/414556017.db2.gz NXMBRIVYKUQLPT-CVEARBPZSA-N 2 2 280.412 0.834 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](CO)Cc1ccccc1 ZINC000661093574 414556021 /nfs/dbraw/zinc/55/60/21/414556021.db2.gz NXMBRIVYKUQLPT-CVEARBPZSA-N 2 2 280.412 0.834 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](CO)Cc1ccccc1 ZINC000661093574 414556024 /nfs/dbraw/zinc/55/60/24/414556024.db2.gz NXMBRIVYKUQLPT-CVEARBPZSA-N 2 2 280.412 0.834 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](CO)Cc1ccccc1 ZINC000661093574 414556027 /nfs/dbraw/zinc/55/60/27/414556027.db2.gz NXMBRIVYKUQLPT-CVEARBPZSA-N 2 2 280.412 0.834 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCO[C@](C)(C2CC2)C1 ZINC000661173431 414574360 /nfs/dbraw/zinc/57/43/60/414574360.db2.gz XYBNJQYXAMSPFB-KGLIPLIRSA-N 2 2 256.390 0.800 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCO[C@](C)(C2CC2)C1 ZINC000661173431 414574363 /nfs/dbraw/zinc/57/43/63/414574363.db2.gz XYBNJQYXAMSPFB-KGLIPLIRSA-N 2 2 256.390 0.800 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661173431 414574367 /nfs/dbraw/zinc/57/43/67/414574367.db2.gz XYBNJQYXAMSPFB-KGLIPLIRSA-N 2 2 256.390 0.800 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661173431 414574371 /nfs/dbraw/zinc/57/43/71/414574371.db2.gz XYBNJQYXAMSPFB-KGLIPLIRSA-N 2 2 256.390 0.800 20 0 CCADLP C[NH+](C[C@@H](O)C[N@@H+](C)CC1=CCCOC1)C1CC1 ZINC000661654078 414659718 /nfs/dbraw/zinc/65/97/18/414659718.db2.gz WETXONKBFJBXPN-AWEZNQCLSA-N 2 2 254.374 0.720 20 0 CCADLP C[NH+](C[C@@H](O)C[N@H+](C)CC1=CCCOC1)C1CC1 ZINC000661654078 414659719 /nfs/dbraw/zinc/65/97/19/414659719.db2.gz WETXONKBFJBXPN-AWEZNQCLSA-N 2 2 254.374 0.720 20 0 CCADLP C[NH+](CC1=CCCOC1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000661654078 414659720 /nfs/dbraw/zinc/65/97/20/414659720.db2.gz WETXONKBFJBXPN-AWEZNQCLSA-N 2 2 254.374 0.720 20 0 CCADLP C[NH+](CC1=CCCOC1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000661654078 414659721 /nfs/dbraw/zinc/65/97/21/414659721.db2.gz WETXONKBFJBXPN-AWEZNQCLSA-N 2 2 254.374 0.720 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)CC[NH2+]C1CC1 ZINC000575137366 335071475 /nfs/dbraw/zinc/07/14/75/335071475.db2.gz WITQTGOCOQGMKR-UHFFFAOYSA-N 2 2 269.389 0.356 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)CC[NH2+]C1CC1 ZINC000575137366 335071477 /nfs/dbraw/zinc/07/14/77/335071477.db2.gz WITQTGOCOQGMKR-UHFFFAOYSA-N 2 2 269.389 0.356 20 0 CCADLP C[NH2+]C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000040594996 174348545 /nfs/dbraw/zinc/34/85/45/174348545.db2.gz MGMMOBAXRRRLGI-LBPRGKRZSA-N 2 2 250.346 0.731 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@H+](CC(=O)N2CCCCC2)C1 ZINC000040601069 174351052 /nfs/dbraw/zinc/35/10/52/174351052.db2.gz RZWWHDLRKIUMKL-CYBMUJFWSA-N 2 2 253.390 0.930 20 0 CCADLP C[NH2+]C[C@H]1CCC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC000040601069 174351055 /nfs/dbraw/zinc/35/10/55/174351055.db2.gz RZWWHDLRKIUMKL-CYBMUJFWSA-N 2 2 253.390 0.930 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000662276158 414704843 /nfs/dbraw/zinc/70/48/43/414704843.db2.gz KEBVZLZQCFYGOO-IHRRRGAJSA-N 3 2 253.390 0.439 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000662276158 414704844 /nfs/dbraw/zinc/70/48/44/414704844.db2.gz KEBVZLZQCFYGOO-IHRRRGAJSA-N 3 2 253.390 0.439 20 0 CCADLP CCO[C@@H]1C[N@H+](Cc2cc(C)nc(C)n2)C[C@H]1C[NH3+] ZINC000662284033 414706369 /nfs/dbraw/zinc/70/63/69/414706369.db2.gz FJVZCEKNXRTVEK-TZMCWYRMSA-N 2 2 264.373 0.889 20 0 CCADLP CCO[C@@H]1C[N@@H+](Cc2cc(C)nc(C)n2)C[C@H]1C[NH3+] ZINC000662284033 414706370 /nfs/dbraw/zinc/70/63/70/414706370.db2.gz FJVZCEKNXRTVEK-TZMCWYRMSA-N 2 2 264.373 0.889 20 0 CCADLP Cc1ccc(CNC(=O)C[NH2+]C2(CO)CC[NH2+]CC2)cc1 ZINC000662286667 414706783 /nfs/dbraw/zinc/70/67/83/414706783.db2.gz VWERJIYABFTHND-UHFFFAOYSA-N 2 2 291.395 0.315 20 0 CCADLP [NH3+]CC[N@H+](CCCc1ccsc1)C[C@H](O)CO ZINC000662287716 414707238 /nfs/dbraw/zinc/70/72/38/414707238.db2.gz HKDVLLGDMXRLDW-LBPRGKRZSA-N 2 2 258.387 0.295 20 0 CCADLP [NH3+]CC[N@@H+](CCCc1ccsc1)C[C@H](O)CO ZINC000662287716 414707239 /nfs/dbraw/zinc/70/72/39/414707239.db2.gz HKDVLLGDMXRLDW-LBPRGKRZSA-N 2 2 258.387 0.295 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CC3CC2(C[NH3+])C3)CC1 ZINC000662304904 414708390 /nfs/dbraw/zinc/70/83/90/414708390.db2.gz DAEKAXLSLBZTDA-UHFFFAOYSA-N 3 2 280.460 0.826 20 0 CCADLP CC(C)[NH+]1CCN(CCC[N@H+]2CC3CC2(C[NH3+])C3)CC1 ZINC000662304904 414708391 /nfs/dbraw/zinc/70/83/91/414708391.db2.gz DAEKAXLSLBZTDA-UHFFFAOYSA-N 3 2 280.460 0.826 20 0 CCADLP c1cc(C2CC[NH+](C[C@H]3C[NH2+]CCO3)CC2)no1 ZINC000662315271 414708721 /nfs/dbraw/zinc/70/87/21/414708721.db2.gz DGYBRURYTUWULT-GFCCVEGCSA-N 2 2 251.330 0.842 20 0 CCADLP CCN(CC)C(=O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662317070 414709134 /nfs/dbraw/zinc/70/91/34/414709134.db2.gz MMZQOIQXDXQWNZ-AWEZNQCLSA-N 2 2 285.432 0.897 20 0 CCADLP CCN(CC)C(=O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662317070 414709135 /nfs/dbraw/zinc/70/91/35/414709135.db2.gz MMZQOIQXDXQWNZ-AWEZNQCLSA-N 2 2 285.432 0.897 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)n1 ZINC000662318173 414709152 /nfs/dbraw/zinc/70/91/52/414709152.db2.gz WZQDGBGSYNGMPC-VHSXEESVSA-N 2 2 266.345 0.732 20 0 CCADLP CC(C)([NH3+])c1noc(C[N@H+]2CC[C@H]3COC[C@H]3C2)n1 ZINC000662318173 414709153 /nfs/dbraw/zinc/70/91/53/414709153.db2.gz WZQDGBGSYNGMPC-VHSXEESVSA-N 2 2 266.345 0.732 20 0 CCADLP CCCNC(=O)[C@H](C)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321194 414709467 /nfs/dbraw/zinc/70/94/67/414709467.db2.gz ZEKUKKKZGWMXNR-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP CCCNC(=O)[C@H](C)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321194 414709468 /nfs/dbraw/zinc/70/94/68/414709468.db2.gz ZEKUKKKZGWMXNR-UONOGXRCSA-N 2 2 285.432 0.944 20 0 CCADLP Cn1nccc1C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662325285 414710121 /nfs/dbraw/zinc/71/01/21/414710121.db2.gz KVMQWRSOVRUJLY-CQSZACIVSA-N 2 2 266.389 0.963 20 0 CCADLP Cn1nccc1C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662325285 414710122 /nfs/dbraw/zinc/71/01/22/414710122.db2.gz KVMQWRSOVRUJLY-CQSZACIVSA-N 2 2 266.389 0.963 20 0 CCADLP C[NH+](C)CCC[C@H]1C[N@@H+]([C@H]2CCCNC2=O)CCO1 ZINC000662326220 414710486 /nfs/dbraw/zinc/71/04/86/414710486.db2.gz WTSONFNVHRDEEL-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP C[NH+](C)CCC[C@H]1C[N@H+]([C@H]2CCCNC2=O)CCO1 ZINC000662326220 414710487 /nfs/dbraw/zinc/71/04/87/414710487.db2.gz WTSONFNVHRDEEL-STQMWFEESA-N 2 2 269.389 0.308 20 0 CCADLP CN(C)C(=O)N(C)[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000662013370 414687057 /nfs/dbraw/zinc/68/70/57/414687057.db2.gz RQPSVWASSGHEKB-CYBMUJFWSA-N 2 2 279.388 0.961 20 0 CCADLP CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000662013370 414687058 /nfs/dbraw/zinc/68/70/58/414687058.db2.gz RQPSVWASSGHEKB-CYBMUJFWSA-N 2 2 279.388 0.961 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2coc(S(N)(=O)=O)c2)C1 ZINC000662244047 414698744 /nfs/dbraw/zinc/69/87/44/414698744.db2.gz FVJNINHADVFHSW-MWLCHTKSSA-N 2 2 287.385 0.486 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2coc(S(N)(=O)=O)c2)C1 ZINC000662244047 414698745 /nfs/dbraw/zinc/69/87/45/414698745.db2.gz FVJNINHADVFHSW-MWLCHTKSSA-N 2 2 287.385 0.486 20 0 CCADLP CCCCNC(=O)C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662250624 414699115 /nfs/dbraw/zinc/69/91/15/414699115.db2.gz KDHKDZSEFWWTHN-CQSZACIVSA-N 2 2 283.416 0.603 20 0 CCADLP C[C@H]([NH3+])[C@@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000662246792 414699240 /nfs/dbraw/zinc/69/92/40/414699240.db2.gz CTEJHWFZAAIBTR-LRDDRELGSA-N 3 2 275.396 0.880 20 0 CCADLP C[C@H]([NH3+])[C@@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000662246792 414699241 /nfs/dbraw/zinc/69/92/41/414699241.db2.gz CTEJHWFZAAIBTR-LRDDRELGSA-N 3 2 275.396 0.880 20 0 CCADLP O=C1CCCCN1CC1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662254455 414700060 /nfs/dbraw/zinc/70/00/60/414700060.db2.gz IHBVTGAFSLNECT-HNNXBMFYSA-N 2 2 295.427 0.699 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[N@@H+]1CCCC2(CCOCC2)C1 ZINC000662255548 414700714 /nfs/dbraw/zinc/70/07/14/414700714.db2.gz QYFFRNHKPOBPPH-CYBMUJFWSA-N 2 2 254.374 0.867 20 0 CCADLP C([C@H]1C[NH2+]CCO1)[N@H+]1CCCC2(CCOCC2)C1 ZINC000662255548 414700715 /nfs/dbraw/zinc/70/07/15/414700715.db2.gz QYFFRNHKPOBPPH-CYBMUJFWSA-N 2 2 254.374 0.867 20 0 CCADLP CCCCNC(=O)[C@@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662258408 414700953 /nfs/dbraw/zinc/70/09/53/414700953.db2.gz ULJFPJLZTGINNE-ZIAGYGMSSA-N 2 2 283.416 0.603 20 0 CCADLP CCCCNC(=O)[C@@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662258408 414700954 /nfs/dbraw/zinc/70/09/54/414700954.db2.gz ULJFPJLZTGINNE-ZIAGYGMSSA-N 2 2 283.416 0.603 20 0 CCADLP O=C(C[C@H]1[NH2+]Cc2ccccc21)NCC[NH+]1CCOCC1 ZINC000662349473 414711496 /nfs/dbraw/zinc/71/14/96/414711496.db2.gz AZILMIRFXPQUOW-OAHLLOKOSA-N 2 2 289.379 0.669 20 0 CCADLP CC[C@H]([NH2+]C)C(=O)NCc1ccc(N2CCOCC2)[nH+]c1 ZINC000662365734 414712025 /nfs/dbraw/zinc/71/20/25/414712025.db2.gz WOZHKUTZYBSMTP-ZDUSSCGKSA-N 2 2 292.383 0.532 20 0 CCADLP CC(C)[NH2+]CC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000662479469 414721940 /nfs/dbraw/zinc/72/19/40/414721940.db2.gz PHQJYFFPBQJKNX-ZDUSSCGKSA-N 2 2 269.389 0.308 20 0 CCADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662589686 414731014 /nfs/dbraw/zinc/73/10/14/414731014.db2.gz JAJJVOSGQQSCCA-LSDHHAIUSA-N 3 2 296.459 0.504 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C)[C@@H](C)[NH3+] ZINC000662632522 414735280 /nfs/dbraw/zinc/73/52/80/414735280.db2.gz DJSZZEDODVNPRG-REWJHTLYSA-N 2 2 285.432 0.831 20 0 CCADLP CC(C)[C@@H](C(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C)[C@@H](C)[NH3+] ZINC000662632522 414735281 /nfs/dbraw/zinc/73/52/81/414735281.db2.gz DJSZZEDODVNPRG-REWJHTLYSA-N 2 2 285.432 0.831 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000662633530 414735460 /nfs/dbraw/zinc/73/54/60/414735460.db2.gz MIXPKODHFJLDSS-HNNXBMFYSA-N 3 2 292.427 0.686 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000662633530 414735461 /nfs/dbraw/zinc/73/54/61/414735461.db2.gz MIXPKODHFJLDSS-HNNXBMFYSA-N 3 2 292.427 0.686 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)[C@H](C)CO1 ZINC000662636096 414736270 /nfs/dbraw/zinc/73/62/70/414736270.db2.gz XTUIHJCDIONBOO-UXOAXIEHSA-N 2 2 295.427 0.742 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)[C@H](C)CO1 ZINC000662636096 414736271 /nfs/dbraw/zinc/73/62/71/414736271.db2.gz XTUIHJCDIONBOO-UXOAXIEHSA-N 2 2 295.427 0.742 20 0 CCADLP O=C([C@@H]1CC12CC[NH2+]CC2)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662657341 414737908 /nfs/dbraw/zinc/73/79/08/414737908.db2.gz ZUGLMLYBFBEDHN-KGLIPLIRSA-N 2 2 293.411 0.309 20 0 CCADLP Cc1ccn2cc(CNC(=O)[C@@H]3CCO[C@H]3C[NH3+])[nH+]c2c1 ZINC000662689630 414741318 /nfs/dbraw/zinc/74/13/18/414741318.db2.gz UWYYOJWUDWIIPP-OLZOCXBDSA-N 2 2 288.351 0.623 20 0 CCADLP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000662694511 414742203 /nfs/dbraw/zinc/74/22/03/414742203.db2.gz RLDMJJSKWBGHHE-ZIAGYGMSSA-N 3 2 284.448 0.502 20 0 CCADLP C[C@H]1C[N@H+](CCNC(=O)[C@H]2[NH2+]CCC2(C)C)CCO1 ZINC000662702070 414743040 /nfs/dbraw/zinc/74/30/40/414743040.db2.gz WRIDWDCTJBWZOL-NWDGAFQWSA-N 2 2 269.389 0.211 20 0 CCADLP C[C@H]1C[N@@H+](CCNC(=O)[C@H]2[NH2+]CCC2(C)C)CCO1 ZINC000662702070 414743041 /nfs/dbraw/zinc/74/30/41/414743041.db2.gz WRIDWDCTJBWZOL-NWDGAFQWSA-N 2 2 269.389 0.211 20 0 CCADLP COc1cc[nH+]cc1NC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662701304 414743185 /nfs/dbraw/zinc/74/31/85/414743185.db2.gz OEGHEYMUHFFFKR-KCJUWKMLSA-N 2 2 251.286 0.393 20 0 CCADLP C[C@@H](NC(=O)C1([NH2+]C2CC2)CCC1)[C@H](C)[NH+]1CCOCC1 ZINC000662719690 414746012 /nfs/dbraw/zinc/74/60/12/414746012.db2.gz AMCARAAJZYUKGC-OLZOCXBDSA-N 2 2 295.427 0.887 20 0 CCADLP C[C@H]([C@H](C)NC(=O)C1([NH3+])CC2(CCC2)C1)[NH+]1CCOCC1 ZINC000662720872 414746211 /nfs/dbraw/zinc/74/62/11/414746211.db2.gz MTIJGPBAONENQB-QWHCGFSZSA-N 2 2 295.427 0.873 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000662857400 414849763 /nfs/dbraw/zinc/84/97/63/414849763.db2.gz LZQCZRCATLVSPF-ZDUSSCGKSA-N 3 2 270.421 0.128 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000662857400 414849769 /nfs/dbraw/zinc/84/97/69/414849769.db2.gz LZQCZRCATLVSPF-ZDUSSCGKSA-N 3 2 270.421 0.128 20 0 CCADLP C[C@@H]1C[N@H+](CCNC(=O)[C@H]2[NH2+]CCC2(C)C)[C@@H](C)CO1 ZINC000662859465 414852764 /nfs/dbraw/zinc/85/27/64/414852764.db2.gz NCRRLFWXVIQGFD-YNEHKIRRSA-N 2 2 283.416 0.600 20 0 CCADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@H]2[NH2+]CCC2(C)C)[C@@H](C)CO1 ZINC000662859465 414852766 /nfs/dbraw/zinc/85/27/66/414852766.db2.gz NCRRLFWXVIQGFD-YNEHKIRRSA-N 2 2 283.416 0.600 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCO[C@H](CC(F)(F)F)C1 ZINC000662951393 414912147 /nfs/dbraw/zinc/91/21/47/414912147.db2.gz UMOFJXPUBBRBQJ-ZJUUUORDSA-N 2 2 297.321 0.445 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662980826 414931456 /nfs/dbraw/zinc/93/14/56/414931456.db2.gz QCYZEKSGYUHLCL-CWRNSKLLSA-N 2 2 295.427 0.685 20 0 CCADLP CCn1cc[nH+]c1[C@H](C)NC(=O)COC1CC[NH2+]CC1 ZINC000662902767 414881991 /nfs/dbraw/zinc/88/19/91/414881991.db2.gz RRUODMAKTCUSPA-NSHDSACASA-N 2 2 280.372 0.849 20 0 CCADLP C[NH2+]CCC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000662901809 414882705 /nfs/dbraw/zinc/88/27/05/414882705.db2.gz ZJAJEJWWERJCBT-AWEZNQCLSA-N 3 2 282.432 0.223 20 0 CCADLP C[NH2+]CCC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000662901809 414882709 /nfs/dbraw/zinc/88/27/09/414882709.db2.gz ZJAJEJWWERJCBT-AWEZNQCLSA-N 3 2 282.432 0.223 20 0 CCADLP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000662926026 414896572 /nfs/dbraw/zinc/89/65/72/414896572.db2.gz NYMHOCCIGCIICY-VXGBXAGGSA-N 2 2 264.373 0.935 20 0 CCADLP C[C@]1(NC(=O)NCCCn2cc[nH+]c2)CC[NH2+]C1 ZINC000663221713 415020707 /nfs/dbraw/zinc/02/07/07/415020707.db2.gz QRYKRBZMFJBPNG-LBPRGKRZSA-N 2 2 251.334 0.324 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663005324 414945667 /nfs/dbraw/zinc/94/56/67/414945667.db2.gz TUEKYTJXRMINFO-GJZGRUSLSA-N 3 2 296.459 0.504 20 0 CCADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663005324 414945672 /nfs/dbraw/zinc/94/56/72/414945672.db2.gz TUEKYTJXRMINFO-GJZGRUSLSA-N 3 2 296.459 0.504 20 0 CCADLP COc1c(N)[nH+]cnc1N1CCC(CC[NH3+])CC1 ZINC000663242128 415026460 /nfs/dbraw/zinc/02/64/60/415026460.db2.gz MESDDTFLBRXBRZ-UHFFFAOYSA-N 2 2 251.334 0.633 20 0 CCADLP COc1c(N)nc[nH+]c1N1CCC(CC[NH3+])CC1 ZINC000663242128 415026464 /nfs/dbraw/zinc/02/64/64/415026464.db2.gz MESDDTFLBRXBRZ-UHFFFAOYSA-N 2 2 251.334 0.633 20 0 CCADLP Cn1nccc1CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000663682001 415108265 /nfs/dbraw/zinc/10/82/65/415108265.db2.gz JPZJHPDSTQIWDV-UHFFFAOYSA-N 2 2 296.419 0.103 20 0 CCADLP Cn1nccc1CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000663682001 415108269 /nfs/dbraw/zinc/10/82/69/415108269.db2.gz JPZJHPDSTQIWDV-UHFFFAOYSA-N 2 2 296.419 0.103 20 0 CCADLP O=C([C@H]1C[NH2+]CCO1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000043707538 175100436 /nfs/dbraw/zinc/10/04/36/175100436.db2.gz RZWXXYVVEWIFDJ-OAHLLOKOSA-N 2 2 289.379 0.319 20 0 CCADLP C[C@@H](CCNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)[NH+](C)C ZINC000664927080 415488367 /nfs/dbraw/zinc/48/83/67/415488367.db2.gz PGVLOUHXTQPRRX-QWRGUYRKSA-N 2 2 279.388 0.906 20 0 CCADLP C[C@@H](CCNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)[NH+](C)C ZINC000664927080 415488378 /nfs/dbraw/zinc/48/83/78/415488378.db2.gz PGVLOUHXTQPRRX-QWRGUYRKSA-N 2 2 279.388 0.906 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[NH+]1CCOCC1 ZINC000665108226 415538386 /nfs/dbraw/zinc/53/83/86/415538386.db2.gz SHLFCXNNHKXBFW-CHWSQXEVSA-N 2 2 292.383 0.362 20 0 CCADLP CCS(=O)(=O)C1(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000665276079 415585323 /nfs/dbraw/zinc/58/53/23/415585323.db2.gz XZVJHJPXVVKFLN-WDEREUQCSA-N 2 2 260.403 0.684 20 0 CCADLP C([NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C12CC(C1)C[NH2+]2 ZINC000665280357 415586374 /nfs/dbraw/zinc/58/63/74/415586374.db2.gz ZLXKOXVAGUSXLF-PEGGXJLSSA-N 3 2 265.401 0.485 20 0 CCADLP CCn1nccc1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000665299279 415591992 /nfs/dbraw/zinc/59/19/92/415591992.db2.gz JUTBBLMADWRGLA-ZIAGYGMSSA-N 2 2 264.373 0.760 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N2CCCCCC2)C1 ZINC000071146071 176041934 /nfs/dbraw/zinc/04/19/34/176041934.db2.gz CYNJTWKZCHNTNM-ZDUSSCGKSA-N 2 2 253.390 0.930 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N2CCCCCC2)C1 ZINC000071146071 176041935 /nfs/dbraw/zinc/04/19/35/176041935.db2.gz CYNJTWKZCHNTNM-ZDUSSCGKSA-N 2 2 253.390 0.930 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@H+](CCn2nc3ccccn3c2=O)C1 ZINC000071146586 176042631 /nfs/dbraw/zinc/04/26/31/176042631.db2.gz XMUBIFPCUJZXIO-LBPRGKRZSA-N 2 2 275.356 0.037 20 0 CCADLP C[NH2+]C[C@@H]1CC[N@@H+](CCn2nc3ccccn3c2=O)C1 ZINC000071146586 176042633 /nfs/dbraw/zinc/04/26/33/176042633.db2.gz XMUBIFPCUJZXIO-LBPRGKRZSA-N 2 2 275.356 0.037 20 0 CCADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccco1 ZINC000035142498 544420247 /nfs/dbraw/zinc/42/02/47/544420247.db2.gz UCIZDSDXXWVDEV-NSHDSACASA-N 2 2 251.330 0.704 20 0 CCADLP C(C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1)[NH+]1CCCC1 ZINC000062036429 544446210 /nfs/dbraw/zinc/44/62/10/544446210.db2.gz PXXNLHUTBCPQLT-OAHLLOKOSA-N 3 2 267.417 0.783 20 0 CCADLP C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000333631206 228207435 /nfs/dbraw/zinc/20/74/35/228207435.db2.gz AWQJIAYBUARLMV-ZIAGYGMSSA-N 2 2 283.416 0.683 20 0 CCADLP C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000333631206 228207436 /nfs/dbraw/zinc/20/74/36/228207436.db2.gz AWQJIAYBUARLMV-ZIAGYGMSSA-N 2 2 283.416 0.683 20 0 CCADLP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1cn[nH]c1 ZINC000085824830 544495359 /nfs/dbraw/zinc/49/53/59/544495359.db2.gz COXDJZUEIREFSM-UHFFFAOYSA-N 2 2 291.399 0.585 20 0 CCADLP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1cn[nH]c1 ZINC000085824830 544495365 /nfs/dbraw/zinc/49/53/65/544495365.db2.gz COXDJZUEIREFSM-UHFFFAOYSA-N 2 2 291.399 0.585 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)Cc2cn[nH]c2)CC1 ZINC000085825136 544496442 /nfs/dbraw/zinc/49/64/42/544496442.db2.gz HKWDVPAZUKWYDF-UHFFFAOYSA-N 2 2 279.388 0.442 20 0 CCADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2cn[nH]c2)CC1 ZINC000085825136 544496446 /nfs/dbraw/zinc/49/64/46/544496446.db2.gz HKWDVPAZUKWYDF-UHFFFAOYSA-N 2 2 279.388 0.442 20 0 CCADLP CN(Cc1[nH]cc[nH+]1)C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000080530669 544478552 /nfs/dbraw/zinc/47/85/52/544478552.db2.gz KYGHYXZKCHDTHQ-JTQLQIEISA-N 2 2 276.262 0.910 20 0 CCADLP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000088288924 544504373 /nfs/dbraw/zinc/50/43/73/544504373.db2.gz SJEOJCKYZYATEE-GJZGRUSLSA-N 2 2 297.443 0.931 20 0 CCADLP CC1CC[NH+](CC[NH2+][C@@H]2CCCNC(=O)C2)CC1 ZINC000111828469 544562548 /nfs/dbraw/zinc/56/25/48/544562548.db2.gz PCGZQUAKPFZQOI-CYBMUJFWSA-N 2 2 253.390 0.977 20 0 CCADLP Cc1nc(NC[C@@]2([NH+](C)C)CCSC2)nc(N)[nH+]1 ZINC000631146692 419471771 /nfs/dbraw/zinc/47/17/71/419471771.db2.gz IRETVNLGOWAGGJ-NSHDSACASA-N 2 2 268.390 0.033 20 0 CCADLP O=C(c1cccc2c1CC[NH2+]C2)N1CC[NH+](CCO)CC1 ZINC000124129563 544586504 /nfs/dbraw/zinc/58/65/04/544586504.db2.gz XXLBOCVALZIZQO-UHFFFAOYSA-N 2 2 289.379 0.082 20 0 CCADLP C[C@@H](CO)C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131273238 544618869 /nfs/dbraw/zinc/61/88/69/544618869.db2.gz HEZXXMDWBWTKPZ-DGCLKSJQSA-N 2 2 269.389 0.029 20 0 CCADLP C[C@@H](CO)C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131273238 544618872 /nfs/dbraw/zinc/61/88/72/544618872.db2.gz HEZXXMDWBWTKPZ-DGCLKSJQSA-N 2 2 269.389 0.029 20 0 CCADLP CN(CC[NH+]1CCCC1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000132094352 544621451 /nfs/dbraw/zinc/62/14/51/544621451.db2.gz IQRCOFUTQOFAQY-ZDUSSCGKSA-N 2 2 276.384 1.000 20 0 CCADLP COc1cc[nH+]c(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c1OC ZINC000232198017 544862944 /nfs/dbraw/zinc/86/29/44/544862944.db2.gz RDPWMFRAJPALIQ-QWRGUYRKSA-N 2 2 263.341 0.750 20 0 CCADLP C[C@H]1C[NH+](CCCNC(=O)CCc2c[nH+]c[nH]2)C[C@H](C)O1 ZINC000276694027 544955877 /nfs/dbraw/zinc/95/58/77/544955877.db2.gz XSRCYFPHJORDAX-STQMWFEESA-N 2 2 294.399 0.958 20 0 CCADLP C[C@H]1C[NH+](CCCNC(=O)CCc2c[nH]c[nH+]2)C[C@H](C)O1 ZINC000276694027 544955885 /nfs/dbraw/zinc/95/58/85/544955885.db2.gz XSRCYFPHJORDAX-STQMWFEESA-N 2 2 294.399 0.958 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCC2(O)CCC2)CC1 ZINC000305690969 544991089 /nfs/dbraw/zinc/99/10/89/544991089.db2.gz NCFQOQOALUOFRH-UHFFFAOYSA-N 2 2 298.431 0.227 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)NCCC[NH+]1CCCC1 ZINC000280245948 544959804 /nfs/dbraw/zinc/95/98/04/544959804.db2.gz LKMQFTIJYJFBAA-UHFFFAOYSA-N 2 2 250.346 0.944 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)NCCC[NH+]1CCCC1 ZINC000280245948 544959807 /nfs/dbraw/zinc/95/98/07/544959807.db2.gz LKMQFTIJYJFBAA-UHFFFAOYSA-N 2 2 250.346 0.944 20 0 CCADLP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)C[C@H]1C(=O)N1CCOCC1 ZINC000286072563 544965822 /nfs/dbraw/zinc/96/58/22/544965822.db2.gz GUWUKLVURDTKRZ-ZIAGYGMSSA-N 2 2 292.383 0.310 20 0 CCADLP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)C[C@H]1C(=O)N1CCOCC1 ZINC000286072563 544965826 /nfs/dbraw/zinc/96/58/26/544965826.db2.gz GUWUKLVURDTKRZ-ZIAGYGMSSA-N 2 2 292.383 0.310 20 0 CCADLP C[C@H]1CCC[N@H+](CCNC(=O)NCc2c[nH+]cn2C)C1 ZINC000290714565 544970412 /nfs/dbraw/zinc/97/04/12/544970412.db2.gz OTWFSJXGXAZPGS-LBPRGKRZSA-N 2 2 279.388 0.951 20 0 CCADLP C[C@H]1CCC[N@@H+](CCNC(=O)NCc2c[nH+]cn2C)C1 ZINC000290714565 544970415 /nfs/dbraw/zinc/97/04/15/544970415.db2.gz OTWFSJXGXAZPGS-LBPRGKRZSA-N 2 2 279.388 0.951 20 0 CCADLP COc1cc[nH+]c(CN2C[C@@H](C)[C@H]([NH3+])C2)c1OC ZINC000300087633 544979523 /nfs/dbraw/zinc/97/95/23/544979523.db2.gz NCBJFZHFIHMSKB-NXEZZACHSA-N 2 2 251.330 0.878 20 0 CCADLP CC[NH+](CC)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCOCC1 ZINC000338190590 545052163 /nfs/dbraw/zinc/05/21/63/545052163.db2.gz DOZNFPDSLRJYFW-ZDUSSCGKSA-N 2 2 285.432 0.944 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000236940090 269752277 /nfs/dbraw/zinc/75/22/77/269752277.db2.gz QEQLNUHRZOMBPV-WOPDTQHZSA-N 2 2 257.378 0.197 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC[C@](C)(O)C2)CC1 ZINC000185731925 262308225 /nfs/dbraw/zinc/30/82/25/262308225.db2.gz OPPDXJBLYZGHKP-HNNXBMFYSA-N 2 2 298.431 0.179 20 0 CCADLP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(=O)N1CCCC[C@@H]1C ZINC000521427003 262328992 /nfs/dbraw/zinc/32/89/92/262328992.db2.gz XCRLSVLESBHMIK-YDHLFZDLSA-N 2 2 297.443 0.821 20 0 CCADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(=O)N1CCCC[C@@H]1C ZINC000521427003 262328993 /nfs/dbraw/zinc/32/89/93/262328993.db2.gz XCRLSVLESBHMIK-YDHLFZDLSA-N 2 2 297.443 0.821 20 0 CCADLP CO[C@H](C)c1noc(C[N@H+](C)CCN2CC[NH2+]CC2)n1 ZINC000521437099 262338139 /nfs/dbraw/zinc/33/81/39/262338139.db2.gz VIYPEZHIXUMSGN-LLVKDONJSA-N 2 2 283.376 0.114 20 0 CCADLP Cc1cc(NC(=O)N2CC[N@@H+](CCO)C[C@H]2C)c(C)c[nH+]1 ZINC000520976886 265133094 /nfs/dbraw/zinc/13/30/94/265133094.db2.gz OEDGRJNDTOQDHM-CYBMUJFWSA-N 2 2 292.383 0.651 20 0 CCADLP Cc1cc(NC(=O)N2CC[N@H+](CCO)C[C@H]2C)c(C)c[nH+]1 ZINC000520976886 265133095 /nfs/dbraw/zinc/13/30/95/265133095.db2.gz OEDGRJNDTOQDHM-CYBMUJFWSA-N 2 2 292.383 0.651 20 0 CCADLP COc1cccc([C@H](C)C(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1 ZINC000518974384 265266397 /nfs/dbraw/zinc/26/63/97/265266397.db2.gz IEEQGUJIVZWMNH-GXTWGEPZSA-N 2 2 291.395 0.900 20 0 CCADLP COc1cccc([C@H](C)C(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c1 ZINC000518974384 265266398 /nfs/dbraw/zinc/26/63/98/265266398.db2.gz IEEQGUJIVZWMNH-GXTWGEPZSA-N 2 2 291.395 0.900 20 0 CCADLP Nc1c(N[C@H]2CCC[C@H]([NH3+])C2)[nH+]cnc1-n1cccn1 ZINC000420235717 274964233 /nfs/dbraw/zinc/96/42/33/274964233.db2.gz IWDBJZGPZNQPJL-UWVGGRQHSA-N 2 2 273.344 0.926 20 0 CCADLP CC(C)C[C@H]([NH3+])C[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000414748899 275915890 /nfs/dbraw/zinc/91/58/90/275915890.db2.gz VHAYCKSQAZSAPO-WFASDCNBSA-N 2 2 296.415 0.670 20 0 CCADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCC2(O)CCOCC2)C1 ZINC000353049116 276251480 /nfs/dbraw/zinc/25/14/80/276251480.db2.gz CJPWZFJQNQUGLO-QWHCGFSZSA-N 2 2 256.390 0.848 20 0 CCADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCC2(O)CCOCC2)C1 ZINC000353049116 276251482 /nfs/dbraw/zinc/25/14/82/276251482.db2.gz CJPWZFJQNQUGLO-QWHCGFSZSA-N 2 2 256.390 0.848 20 0 CCADLP COC(=O)[C@H]1CCCC[N@@H+]1CCc1c[nH+]cn1C ZINC000259732982 277124928 /nfs/dbraw/zinc/12/49/28/277124928.db2.gz OXYSGFUXWKDVEB-GFCCVEGCSA-N 2 2 251.330 0.990 20 0 CCADLP COC(=O)[C@H]1CCCC[N@H+]1CCc1c[nH+]cn1C ZINC000259732982 277124929 /nfs/dbraw/zinc/12/49/29/277124929.db2.gz OXYSGFUXWKDVEB-GFCCVEGCSA-N 2 2 251.330 0.990 20 0 CCADLP C[C@@H](C(=O)NCCC1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000338935183 277552142 /nfs/dbraw/zinc/55/21/42/277552142.db2.gz VMPZJSVGDWMTRG-ZDUSSCGKSA-N 2 2 283.416 0.555 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000352103586 278016514 /nfs/dbraw/zinc/01/65/14/278016514.db2.gz PSGHJMMARWXWRK-KBMXLJTQSA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000352103586 278016516 /nfs/dbraw/zinc/01/65/16/278016516.db2.gz PSGHJMMARWXWRK-KBMXLJTQSA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000352103586 278016518 /nfs/dbraw/zinc/01/65/18/278016518.db2.gz PSGHJMMARWXWRK-KBMXLJTQSA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000352103586 278016519 /nfs/dbraw/zinc/01/65/19/278016519.db2.gz PSGHJMMARWXWRK-KBMXLJTQSA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1C[C@H](N2CCOCC2)C[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000352103586 278016521 /nfs/dbraw/zinc/01/65/21/278016521.db2.gz PSGHJMMARWXWRK-KBMXLJTQSA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H]1C[C@H](N2CCOCC2)C[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000352103586 278016522 /nfs/dbraw/zinc/01/65/22/278016522.db2.gz PSGHJMMARWXWRK-KBMXLJTQSA-N 2 2 297.443 0.237 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000330675218 278239465 /nfs/dbraw/zinc/23/94/65/278239465.db2.gz IYVIWPQLZVXESN-UWVGGRQHSA-N 2 2 250.346 0.896 20 0 CCADLP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCCc2[nH]c[nH+]c21 ZINC000330675218 278239468 /nfs/dbraw/zinc/23/94/68/278239468.db2.gz IYVIWPQLZVXESN-UWVGGRQHSA-N 2 2 250.346 0.896 20 0 CCADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(=O)[nH]n1 ZINC000286183784 278284600 /nfs/dbraw/zinc/28/46/00/278284600.db2.gz QYEDOLBEJRDOHD-NRUUGDAUSA-N 2 2 262.357 0.903 20 0 CCADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(=O)[nH]n1 ZINC000286183784 278284602 /nfs/dbraw/zinc/28/46/02/278284602.db2.gz QYEDOLBEJRDOHD-NRUUGDAUSA-N 2 2 262.357 0.903 20 0 CCADLP CC(C)(C)[NH2+]CCNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000378515377 278370006 /nfs/dbraw/zinc/37/00/06/278370006.db2.gz WMJKLQVOPCTSJM-UHFFFAOYSA-N 2 2 283.416 0.746 20 0 CCADLP CC(C)C[C@@H](C[NH3+])NC(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000417024791 278977704 /nfs/dbraw/zinc/97/77/04/278977704.db2.gz KXELNFSZSOEVEV-STQMWFEESA-N 2 2 286.420 0.380 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCC(=O)N[C@H]1[C@H]1CCCO1 ZINC000353580189 288091540 /nfs/dbraw/zinc/09/15/40/288091540.db2.gz WJNMCEHHPMJVFL-ZHZXCYKASA-N 2 2 281.400 0.352 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCC(=O)N[C@H]1[C@H]1CCCO1 ZINC000353580189 288091542 /nfs/dbraw/zinc/09/15/42/288091542.db2.gz WJNMCEHHPMJVFL-ZHZXCYKASA-N 2 2 281.400 0.352 20 0 CCADLP C[C@@H]1C[C@H](O)C[N@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425370979 279000731 /nfs/dbraw/zinc/00/07/31/279000731.db2.gz PEQREFRMCJPCNY-PWSUYJOCSA-N 2 2 252.362 0.689 20 0 CCADLP C[C@@H]1C[C@H](O)C[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C1 ZINC000425370979 279000732 /nfs/dbraw/zinc/00/07/32/279000732.db2.gz PEQREFRMCJPCNY-PWSUYJOCSA-N 2 2 252.362 0.689 20 0 CCADLP CCN(C)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000369615332 279018241 /nfs/dbraw/zinc/01/82/41/279018241.db2.gz YQYPIIBVRDDLCM-CYBMUJFWSA-N 2 2 269.389 0.119 20 0 CCADLP CCN(C)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000369615332 279018242 /nfs/dbraw/zinc/01/82/42/279018242.db2.gz YQYPIIBVRDDLCM-CYBMUJFWSA-N 2 2 269.389 0.119 20 0 CCADLP CCN(CC)C(=O)C[NH+]1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346845802 279069174 /nfs/dbraw/zinc/06/91/74/279069174.db2.gz BFRNRYDENZGPEE-OAHLLOKOSA-N 2 2 296.459 0.472 20 0 CCADLP CCN(CC)C(=O)CN1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346845802 279069175 /nfs/dbraw/zinc/06/91/75/279069175.db2.gz BFRNRYDENZGPEE-OAHLLOKOSA-N 2 2 296.459 0.472 20 0 CCADLP CC[NH+](CC)CC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000104598523 279090783 /nfs/dbraw/zinc/09/07/83/279090783.db2.gz SDVNMYQCRASZRE-CHWSQXEVSA-N 2 2 271.405 0.554 20 0 CCADLP C[C@H](CO)[N@@H+]1CCCN(Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000425330149 279359693 /nfs/dbraw/zinc/35/96/93/279359693.db2.gz AFYOIADQTYRXBE-CYBMUJFWSA-N 2 2 295.431 0.375 20 0 CCADLP C[C@H](CO)[N@H+]1CCCN(Cc2c[nH+]c(N(C)C)n2C)CC1 ZINC000425330149 279359696 /nfs/dbraw/zinc/35/96/96/279359696.db2.gz AFYOIADQTYRXBE-CYBMUJFWSA-N 2 2 295.431 0.375 20 0 CCADLP CCS(=O)(=O)NCCC[N@@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000420337218 280019809 /nfs/dbraw/zinc/01/98/09/280019809.db2.gz MZGAMQBPMOJEFK-NEPJUHHUSA-N 2 2 277.434 0.375 20 0 CCADLP CCS(=O)(=O)NCCC[N@H+]1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000420337218 280019810 /nfs/dbraw/zinc/01/98/10/280019810.db2.gz MZGAMQBPMOJEFK-NEPJUHHUSA-N 2 2 277.434 0.375 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)[C@H](C)[C@@H](C)O1 ZINC000351646489 288197277 /nfs/dbraw/zinc/19/72/77/288197277.db2.gz GZHQSGRDBRREJI-HKUMRIAESA-N 2 2 256.390 0.939 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)[C@H](C)[C@@H](C)O1 ZINC000351646489 288197279 /nfs/dbraw/zinc/19/72/79/288197279.db2.gz GZHQSGRDBRREJI-HKUMRIAESA-N 2 2 256.390 0.939 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)[C@H](C)[C@@H](C)O1 ZINC000351646489 288197280 /nfs/dbraw/zinc/19/72/80/288197280.db2.gz GZHQSGRDBRREJI-HKUMRIAESA-N 2 2 256.390 0.939 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)[C@H](C)[C@@H](C)O1 ZINC000351646489 288197281 /nfs/dbraw/zinc/19/72/81/288197281.db2.gz GZHQSGRDBRREJI-HKUMRIAESA-N 2 2 256.390 0.939 20 0 CCADLP CC(C)[C@H](CNC(=O)[C@@]1(C)CCCC[NH2+]1)[NH+]1CCOCC1 ZINC000236665303 280250993 /nfs/dbraw/zinc/25/09/93/280250993.db2.gz MBQKROCTBXEVNA-GOEBONIOSA-N 2 2 297.443 0.992 20 0 CCADLP CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000236778090 280275094 /nfs/dbraw/zinc/27/50/94/280275094.db2.gz MYFSTNDDYFPKPR-SRVKXCTJSA-N 2 2 257.378 0.195 20 0 CCADLP CC(C)[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000336787731 280346726 /nfs/dbraw/zinc/34/67/26/280346726.db2.gz MOTLJZXNMIFQTE-ZIAGYGMSSA-N 2 2 256.390 0.657 20 0 CCADLP CC(C)[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000336787731 280346728 /nfs/dbraw/zinc/34/67/28/280346728.db2.gz MOTLJZXNMIFQTE-ZIAGYGMSSA-N 2 2 256.390 0.657 20 0 CCADLP CC[C@@H]1CN(C(=O)c2c[nH+]ccc2N)CC[N@@H+]1CCOC ZINC000188188322 280392947 /nfs/dbraw/zinc/39/29/47/280392947.db2.gz LRYWUDMPIZSUBQ-GFCCVEGCSA-N 2 2 292.383 0.847 20 0 CCADLP CC[C@@H]1CN(C(=O)c2c[nH+]ccc2N)CC[N@H+]1CCOC ZINC000188188322 280392949 /nfs/dbraw/zinc/39/29/49/280392949.db2.gz LRYWUDMPIZSUBQ-GFCCVEGCSA-N 2 2 292.383 0.847 20 0 CCADLP C[C@@H]1C[N@@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)CC[C@@H]1[NH3+] ZINC000430947316 288249808 /nfs/dbraw/zinc/24/98/08/288249808.db2.gz APUIROHYKVSMLC-KGYLQXTDSA-N 2 2 277.372 0.195 20 0 CCADLP C[C@@H]1C[N@H+]([C@@H]2CCN(c3cnn(C)c3)C2=O)CC[C@@H]1[NH3+] ZINC000430947316 288249809 /nfs/dbraw/zinc/24/98/09/288249809.db2.gz APUIROHYKVSMLC-KGYLQXTDSA-N 2 2 277.372 0.195 20 0 CCADLP CC[C@H]1CO[C@@H](C)C[N@@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000356126747 288328174 /nfs/dbraw/zinc/32/81/74/288328174.db2.gz UQEYRRFOKPDATQ-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP CC[C@H]1CO[C@@H](C)C[N@H+]1CC(=O)N1CC[NH+](C)CC1 ZINC000356126747 288328178 /nfs/dbraw/zinc/32/81/78/288328178.db2.gz UQEYRRFOKPDATQ-STQMWFEESA-N 2 2 269.389 0.260 20 0 CCADLP C[NH+](C)CC(C)(C)NC(=O)NCC1([NH+]2CCOCC2)CC1 ZINC000458719884 289077984 /nfs/dbraw/zinc/07/79/84/289077984.db2.gz MVRXOYBTQHPMGF-UHFFFAOYSA-N 2 2 298.431 0.491 20 0 CCADLP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+](C)C[C@H](O)C[NH3+] ZINC000420352258 289327115 /nfs/dbraw/zinc/32/71/15/289327115.db2.gz MAOSWBOWAHKLKT-OUCADQQQSA-N 2 2 291.395 0.604 20 0 CCADLP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+](C)C[C@H](O)C[NH3+] ZINC000420352258 289327116 /nfs/dbraw/zinc/32/71/16/289327116.db2.gz MAOSWBOWAHKLKT-OUCADQQQSA-N 2 2 291.395 0.604 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247230081 289339841 /nfs/dbraw/zinc/33/98/41/289339841.db2.gz YHTFUWBDCXBYCT-VXGBXAGGSA-N 2 2 282.388 0.520 20 0 CCADLP C[C@H](C(=O)NC(N)=O)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247230081 289339845 /nfs/dbraw/zinc/33/98/45/289339845.db2.gz YHTFUWBDCXBYCT-VXGBXAGGSA-N 2 2 282.388 0.520 20 0 CCADLP C[NH+]1CC[C@H]2[C@H](CCCN2C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000164597456 290243264 /nfs/dbraw/zinc/24/32/64/290243264.db2.gz XBLOFICSBSIHPP-RDBSUJKOSA-N 2 2 281.400 0.260 20 0 CCADLP C[NH+]1CC[C@H]2[C@H](CCCN2C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000164597456 290243265 /nfs/dbraw/zinc/24/32/65/290243265.db2.gz XBLOFICSBSIHPP-RDBSUJKOSA-N 2 2 281.400 0.260 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)C1 ZINC000164597456 290243266 /nfs/dbraw/zinc/24/32/66/290243266.db2.gz XBLOFICSBSIHPP-RDBSUJKOSA-N 2 2 281.400 0.260 20 0 CCADLP C[NH+]1CCO[C@H](C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)C1 ZINC000164597456 290243267 /nfs/dbraw/zinc/24/32/67/290243267.db2.gz XBLOFICSBSIHPP-RDBSUJKOSA-N 2 2 281.400 0.260 20 0 CCADLP COC[C@H]([NH3+])C(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000262166470 293116215 /nfs/dbraw/zinc/11/62/15/293116215.db2.gz AISMGUSJXJBMHX-SYQHCUMBSA-N 2 2 299.415 0.060 20 0 CCADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC000422944954 295332867 /nfs/dbraw/zinc/33/28/67/295332867.db2.gz MIWDHXOELAWPCG-DTWKUNHWSA-N 2 2 267.295 0.915 20 0 CCADLP COC1(CO)CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000401824302 545090775 /nfs/dbraw/zinc/09/07/75/545090775.db2.gz CRQGVIQTFVLPRE-UHFFFAOYSA-N 2 2 253.346 0.747 20 0 CCADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1nnnn1C1CC1)C2 ZINC000388770502 545086417 /nfs/dbraw/zinc/08/64/17/545086417.db2.gz LVYJDJWAOCJSTL-GWCFXTLKSA-N 2 2 262.361 0.569 20 0 CCADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1nnnn1C1CC1)C2 ZINC000388770502 545086418 /nfs/dbraw/zinc/08/64/18/545086418.db2.gz LVYJDJWAOCJSTL-GWCFXTLKSA-N 2 2 262.361 0.569 20 0 CCADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)CO[C@@H](C)COC)C1 ZINC000389555059 545086963 /nfs/dbraw/zinc/08/69/63/545086963.db2.gz QYYIHICYQDVSOT-IHRRRGAJSA-N 2 2 274.405 0.473 20 0 CCADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)CO[C@@H](C)COC)C1 ZINC000389555059 545086964 /nfs/dbraw/zinc/08/69/64/545086964.db2.gz QYYIHICYQDVSOT-IHRRRGAJSA-N 2 2 274.405 0.473 20 0 CCADLP C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313341747 298016236 /nfs/dbraw/zinc/01/62/36/298016236.db2.gz FXVHCSWBFVRCEZ-KGLIPLIRSA-N 2 2 283.416 0.827 20 0 CCADLP C[C@H](C(=O)N1CCCCCC1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313341747 298016238 /nfs/dbraw/zinc/01/62/38/298016238.db2.gz FXVHCSWBFVRCEZ-KGLIPLIRSA-N 2 2 283.416 0.827 20 0 CCADLP C[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)[NH+]1CCOCC1 ZINC000356306288 298087015 /nfs/dbraw/zinc/08/70/15/298087015.db2.gz BBRDNMRWGRWUQC-GDBMZVCRSA-N 2 2 295.427 0.651 20 0 CCADLP C[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)[NH+]1CCOCC1 ZINC000356306288 298087017 /nfs/dbraw/zinc/08/70/17/298087017.db2.gz BBRDNMRWGRWUQC-GDBMZVCRSA-N 2 2 295.427 0.651 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000037008728 298638533 /nfs/dbraw/zinc/63/85/33/298638533.db2.gz URRKWSMZQXGMIZ-UKRRQHHQSA-N 2 2 291.395 0.913 20 0 CCADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC000358386490 300220238 /nfs/dbraw/zinc/22/02/38/300220238.db2.gz AQQOHKGEXOJWIR-NWDGAFQWSA-N 2 2 274.430 0.741 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CC2(C)COC2)C[C@@H](C)O1 ZINC000574911886 327638651 /nfs/dbraw/zinc/63/86/51/327638651.db2.gz HWWQUYBOJBPADV-JHJVBQTASA-N 2 2 272.389 0.083 20 0 CCADLP CCN(CC)C(=O)C[NH+]1CCC([NH2+]CCOC)CC1 ZINC000584177629 327059430 /nfs/dbraw/zinc/05/94/30/327059430.db2.gz GUYCZBVAGKWVCL-UHFFFAOYSA-N 2 2 271.405 0.555 20 0 CCADLP CS[C@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)C[C@H]1[NH+](C)C ZINC000584182116 327061490 /nfs/dbraw/zinc/06/14/90/327061490.db2.gz RPMZUIMXEIIHFZ-NEPJUHHUSA-N 2 2 285.457 0.832 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000577861984 327283691 /nfs/dbraw/zinc/28/36/91/327283691.db2.gz SPWPDCIDUYTUIW-ZIAGYGMSSA-N 2 2 270.348 0.761 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000577861984 327283692 /nfs/dbraw/zinc/28/36/92/327283692.db2.gz SPWPDCIDUYTUIW-ZIAGYGMSSA-N 2 2 270.348 0.761 20 0 CCADLP C[C@@H]1CC[C@@H](CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])C1 ZINC000583371186 327329300 /nfs/dbraw/zinc/32/93/00/327329300.db2.gz JIEAJPBNRUTJNT-JHJVBQTASA-N 2 2 268.405 0.707 20 0 CCADLP C[C@@H]1CC[C@@H](CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])C1 ZINC000583371186 327329301 /nfs/dbraw/zinc/32/93/01/327329301.db2.gz JIEAJPBNRUTJNT-JHJVBQTASA-N 2 2 268.405 0.707 20 0 CCADLP C[C@H]1[NH2+]CC[C@@H]1C(=O)NC(C)(C)c1noc(C[NH+](C)C)n1 ZINC000575300187 327456721 /nfs/dbraw/zinc/45/67/21/327456721.db2.gz FBLWCCIAHCQZMF-ZJUUUORDSA-N 2 2 295.387 0.481 20 0 CCADLP Cc1[nH+]cc(C[NH2+][C@@H](C)[C@H](C)N2CCOCC2)n1C ZINC000582615982 329118138 /nfs/dbraw/zinc/11/81/38/329118138.db2.gz CDWGSPZCONITHF-RYUDHWBXSA-N 2 2 266.389 0.927 20 0 CCADLP C[C@H](CC(=O)NCC[N@@H+]1CCO[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000582668094 329122208 /nfs/dbraw/zinc/12/22/08/329122208.db2.gz MAYWEZOVEOLWFL-RBSFLKMASA-N 2 2 297.443 0.849 20 0 CCADLP C[C@H](CC(=O)NCC[N@H+]1CCO[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000582668094 329122209 /nfs/dbraw/zinc/12/22/09/329122209.db2.gz MAYWEZOVEOLWFL-RBSFLKMASA-N 2 2 297.443 0.849 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000582734492 329133440 /nfs/dbraw/zinc/13/34/40/329133440.db2.gz YYYICPPLIFLCCM-ZIAGYGMSSA-N 2 2 283.416 0.386 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000582734492 329133442 /nfs/dbraw/zinc/13/34/42/329133442.db2.gz YYYICPPLIFLCCM-ZIAGYGMSSA-N 2 2 283.416 0.386 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000582734492 329133444 /nfs/dbraw/zinc/13/34/44/329133444.db2.gz YYYICPPLIFLCCM-ZIAGYGMSSA-N 2 2 283.416 0.386 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000582734492 329133446 /nfs/dbraw/zinc/13/34/46/329133446.db2.gz YYYICPPLIFLCCM-ZIAGYGMSSA-N 2 2 283.416 0.386 20 0 CCADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCN(CC(F)(F)F)CC1 ZINC000582823831 329268764 /nfs/dbraw/zinc/26/87/64/329268764.db2.gz SBHPOMBOFMZYOP-GFCCVEGCSA-N 2 2 297.365 0.869 20 0 CCADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCN(CC(F)(F)F)CC1 ZINC000582823831 329268766 /nfs/dbraw/zinc/26/87/66/329268766.db2.gz SBHPOMBOFMZYOP-GFCCVEGCSA-N 2 2 297.365 0.869 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000582823831 329268768 /nfs/dbraw/zinc/26/87/68/329268768.db2.gz SBHPOMBOFMZYOP-GFCCVEGCSA-N 2 2 297.365 0.869 20 0 CCADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000582823831 329268769 /nfs/dbraw/zinc/26/87/69/329268769.db2.gz SBHPOMBOFMZYOP-GFCCVEGCSA-N 2 2 297.365 0.869 20 0 CCADLP O=C(NCC[NH+]1CCC1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000583828897 329484297 /nfs/dbraw/zinc/48/42/97/329484297.db2.gz BHXHJCKEXKACOH-UHFFFAOYSA-N 2 2 287.323 0.095 20 0 CCADLP Cc1cc(NC(=O)NC[C@H]2C[NH2+]CCN2C)c(C)c[nH+]1 ZINC000580417828 329572040 /nfs/dbraw/zinc/57/20/40/329572040.db2.gz HNRGTCMTLDAFJQ-GFCCVEGCSA-N 2 2 277.372 0.145 20 0 CCADLP COC1(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])CCCCC1 ZINC000575780860 335114508 /nfs/dbraw/zinc/11/45/08/335114508.db2.gz XQDCWLBGCQTSPH-CYBMUJFWSA-N 2 2 298.431 0.620 20 0 CCADLP C[NH2+]CC(=O)Nc1ccc(-c2nnc(C[NH3+])[nH]2)cc1 ZINC000575866904 335126021 /nfs/dbraw/zinc/12/60/21/335126021.db2.gz RDVPICFHBCIWFR-UHFFFAOYSA-N 2 2 260.301 0.088 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+][C@H](CO)Cc1ccc(F)cc1)C1CC1 ZINC000575869051 335126316 /nfs/dbraw/zinc/12/63/16/335126316.db2.gz VXKOOOXCAYZRII-GOEBONIOSA-N 2 2 296.386 0.774 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+][C@H](CO)Cc1ccc(F)cc1)C1CC1 ZINC000575869051 335126317 /nfs/dbraw/zinc/12/63/17/335126317.db2.gz VXKOOOXCAYZRII-GOEBONIOSA-N 2 2 296.386 0.774 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000173642066 335137376 /nfs/dbraw/zinc/13/73/76/335137376.db2.gz XMVIQCGZNNUSFC-AWEZNQCLSA-N 2 2 283.416 0.650 20 0 CCADLP CC(C)OCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000173642066 335137378 /nfs/dbraw/zinc/13/73/78/335137378.db2.gz XMVIQCGZNNUSFC-AWEZNQCLSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@@H](C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[NH+]1CC(C)C1 ZINC000553496912 334388556 /nfs/dbraw/zinc/38/85/56/334388556.db2.gz IDABFORTNQGUGJ-LSDHHAIUSA-N 2 2 295.427 0.507 20 0 CCADLP Cc1cccn2cc(CC(=O)N(C)[C@@H](C)C[NH3+])[nH+]c12 ZINC000565659544 334585279 /nfs/dbraw/zinc/58/52/79/334585279.db2.gz FTBGROXJEIWQHZ-NSHDSACASA-N 2 2 260.341 0.991 20 0 CCADLP CCOC[C@@H](O)C[NH2+]CCCNc1cccc[nH+]1 ZINC000566115566 334624590 /nfs/dbraw/zinc/62/45/90/334624590.db2.gz DQNOMVGXRLDBFQ-LBPRGKRZSA-N 2 2 253.346 0.871 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+](C)C1(C(N)=O)CCCC1 ZINC000576422176 335201744 /nfs/dbraw/zinc/20/17/44/335201744.db2.gz FDFLUFUGTAORRK-NSHDSACASA-N 2 2 257.378 0.029 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+](C)C1(C(N)=O)CCCC1 ZINC000576422176 335201746 /nfs/dbraw/zinc/20/17/46/335201746.db2.gz FDFLUFUGTAORRK-NSHDSACASA-N 2 2 257.378 0.029 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+](C)C1(C(N)=O)CCCC1 ZINC000576422176 335201747 /nfs/dbraw/zinc/20/17/47/335201747.db2.gz FDFLUFUGTAORRK-NSHDSACASA-N 2 2 257.378 0.029 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+](C)C1(C(N)=O)CCCC1 ZINC000576422176 335201743 /nfs/dbraw/zinc/20/17/43/335201743.db2.gz FDFLUFUGTAORRK-NSHDSACASA-N 2 2 257.378 0.029 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](Cc2ncccc2O)CC1 ZINC000576455848 335205320 /nfs/dbraw/zinc/20/53/20/335205320.db2.gz KQERBPNYXGBGBI-UHFFFAOYSA-N 2 2 273.340 0.843 20 0 CCADLP [NH3+][C@H]1CCC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC000577066527 335294587 /nfs/dbraw/zinc/29/45/87/335294587.db2.gz VJOWIZSVOCHUFE-NEPJUHHUSA-N 2 2 250.346 0.907 20 0 CCADLP COC[C@H]([NH3+])C(=O)Nc1ccc2c(c1)[nH+]c(C)n2C ZINC000577108091 335301406 /nfs/dbraw/zinc/30/14/06/335301406.db2.gz YNVCNDHGMHVOER-JTQLQIEISA-N 2 2 262.313 0.794 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)OC ZINC000577173190 335315461 /nfs/dbraw/zinc/31/54/61/335315461.db2.gz ILAXFOLBDOMAPF-IGQOVBAYSA-N 2 2 284.400 0.573 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)OC ZINC000577173190 335315463 /nfs/dbraw/zinc/31/54/63/335315463.db2.gz ILAXFOLBDOMAPF-IGQOVBAYSA-N 2 2 284.400 0.573 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)OC ZINC000577173190 335315465 /nfs/dbraw/zinc/31/54/65/335315465.db2.gz ILAXFOLBDOMAPF-IGQOVBAYSA-N 2 2 284.400 0.573 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)OC ZINC000577173190 335315466 /nfs/dbraw/zinc/31/54/66/335315466.db2.gz ILAXFOLBDOMAPF-IGQOVBAYSA-N 2 2 284.400 0.573 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](n2ccnn2)C1 ZINC000577408742 335349845 /nfs/dbraw/zinc/34/98/45/335349845.db2.gz FSZRQUAVLQUBGI-STQMWFEESA-N 2 2 267.377 0.228 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](n2ccnn2)C1 ZINC000577408742 335349847 /nfs/dbraw/zinc/34/98/47/335349847.db2.gz FSZRQUAVLQUBGI-STQMWFEESA-N 2 2 267.377 0.228 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000577408742 335349848 /nfs/dbraw/zinc/34/98/48/335349848.db2.gz FSZRQUAVLQUBGI-STQMWFEESA-N 2 2 267.377 0.228 20 0 CCADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000577408742 335349850 /nfs/dbraw/zinc/34/98/50/335349850.db2.gz FSZRQUAVLQUBGI-STQMWFEESA-N 2 2 267.377 0.228 20 0 CCADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](COC)[C@@H]1CCCO1 ZINC000577506290 335361426 /nfs/dbraw/zinc/36/14/26/335361426.db2.gz ZZBQCBLRQPVQEK-AGIUHOORSA-N 2 2 260.378 0.083 20 0 CCADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](COC)[C@@H]1CCCO1 ZINC000577506290 335361428 /nfs/dbraw/zinc/36/14/28/335361428.db2.gz ZZBQCBLRQPVQEK-AGIUHOORSA-N 2 2 260.378 0.083 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000577564990 335369197 /nfs/dbraw/zinc/36/91/97/335369197.db2.gz SUVZALKPVUKCKT-GFCCVEGCSA-N 2 2 250.346 0.872 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC000577564990 335369199 /nfs/dbraw/zinc/36/91/99/335369199.db2.gz SUVZALKPVUKCKT-GFCCVEGCSA-N 2 2 250.346 0.872 20 0 CCADLP Cc1[nH+]cc(C[NH2+]CCNC(=O)c2ccco2)n1C ZINC000580845058 335975094 /nfs/dbraw/zinc/97/50/94/335975094.db2.gz TXHVYSJWGNVQRL-UHFFFAOYSA-N 2 2 262.313 0.841 20 0 CCADLP CC(C)OC[C@H](O)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000581365985 336061969 /nfs/dbraw/zinc/06/19/69/336061969.db2.gz ZERFKZUZDKDOAX-NWDGAFQWSA-N 2 2 253.346 0.573 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)OC(C)(C)C1 ZINC000382268196 336085184 /nfs/dbraw/zinc/08/51/84/336085184.db2.gz BHAUKYOQWJUHKY-CHWSQXEVSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](C)OC(C)(C)C1 ZINC000382268196 336085185 /nfs/dbraw/zinc/08/51/85/336085185.db2.gz BHAUKYOQWJUHKY-CHWSQXEVSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000382268196 336085187 /nfs/dbraw/zinc/08/51/87/336085187.db2.gz BHAUKYOQWJUHKY-CHWSQXEVSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000382268196 336085188 /nfs/dbraw/zinc/08/51/88/336085188.db2.gz BHAUKYOQWJUHKY-CHWSQXEVSA-N 2 2 274.405 0.425 20 0 CCADLP COCC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)C(C)(C)O ZINC000382972357 336100514 /nfs/dbraw/zinc/10/05/14/336100514.db2.gz RARSCILTNGBUON-RYUDHWBXSA-N 2 2 262.394 0.017 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)C(C)(C)O ZINC000382972357 336100515 /nfs/dbraw/zinc/10/05/15/336100515.db2.gz RARSCILTNGBUON-RYUDHWBXSA-N 2 2 262.394 0.017 20 0 CCADLP COCC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)C(C)(C)O ZINC000382972357 336100517 /nfs/dbraw/zinc/10/05/17/336100517.db2.gz RARSCILTNGBUON-RYUDHWBXSA-N 2 2 262.394 0.017 20 0 CCADLP COCC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)C(C)(C)O ZINC000382972357 336100513 /nfs/dbraw/zinc/10/05/13/336100513.db2.gz RARSCILTNGBUON-RYUDHWBXSA-N 2 2 262.394 0.017 20 0 CCADLP CN(C)S(=O)(=O)c1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC000383262492 336106778 /nfs/dbraw/zinc/10/67/78/336106778.db2.gz ZPGOAHGUBJDGHI-UHFFFAOYSA-N 2 2 297.424 0.860 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)CC(F)(F)C[NH3+] ZINC000581614912 336112775 /nfs/dbraw/zinc/11/27/75/336112775.db2.gz PWYPUGGQLOSXOF-UHFFFAOYSA-N 2 2 279.331 0.198 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)CC(F)(F)C[NH3+] ZINC000581614912 336112777 /nfs/dbraw/zinc/11/27/77/336112777.db2.gz PWYPUGGQLOSXOF-UHFFFAOYSA-N 2 2 279.331 0.198 20 0 CCADLP Cc1cnccc1CC[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000581819231 336147193 /nfs/dbraw/zinc/14/71/93/336147193.db2.gz LBCTZJNBHOVGRS-UHFFFAOYSA-N 2 2 290.411 0.638 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CC3CCC2CC3)[C@H](C[NH3+])C1 ZINC000581874298 336156105 /nfs/dbraw/zinc/15/61/05/336156105.db2.gz DSDIRXTYGHQRKY-NWINJMCUSA-N 2 2 280.416 0.849 20 0 CCADLP CN(C)c1[nH+]cccc1CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000582005611 336189805 /nfs/dbraw/zinc/18/98/05/336189805.db2.gz CAIQDNNVIHLHPR-AWEZNQCLSA-N 2 2 262.357 0.906 20 0 CCADLP CC(C)(C)[NH2+]CCN(CCO)CC[NH+]1CCOCC1 ZINC000414711582 545093292 /nfs/dbraw/zinc/09/32/92/545093292.db2.gz UKCQKQRLOOWVHL-UHFFFAOYSA-N 2 2 273.421 0.001 20 0 CCADLP COc1ccc(C[C@H](C)[NH2+]C[C@H]2C[NH2+]CCO2)cn1 ZINC000423558983 533799762 /nfs/dbraw/zinc/79/97/62/533799762.db2.gz IZZCXWRLJNGPEA-WCQYABFASA-N 2 2 265.357 0.599 20 0 CCADLP CCCC[C@H](C[NH3+])NC(=O)NCc1c[nH+]cn1C ZINC000418227278 545094527 /nfs/dbraw/zinc/09/45/27/545094527.db2.gz XPCXLQMCRJTXSQ-SNVBAGLBSA-N 2 2 253.350 0.737 20 0 CCADLP C[C@@H](CNC(=O)/C=C/c1[nH]cc[nH+]1)C[NH+]1CCN(C)CC1 ZINC000493803750 533872084 /nfs/dbraw/zinc/87/20/84/533872084.db2.gz QCLVFWPJLAWFKJ-OOPCZODUSA-N 2 2 291.399 0.423 20 0 CCADLP C[C@@H]1CN(C[C@H](O)C[N@H+](C)C[C@H]2CC[NH+](C)C2)C[C@H](C)O1 ZINC000435766083 545095407 /nfs/dbraw/zinc/09/54/07/545095407.db2.gz UQSZMGRLDZUQLS-XUWVNRHRSA-N 2 2 299.459 0.340 20 0 CCADLP C[C@@H]1CN(C[C@H](O)C[N@@H+](C)C[C@H]2CC[NH+](C)C2)C[C@H](C)O1 ZINC000435766083 545095408 /nfs/dbraw/zinc/09/54/08/545095408.db2.gz UQSZMGRLDZUQLS-XUWVNRHRSA-N 2 2 299.459 0.340 20 0 CCADLP C[C@@H]1CN(C[C@H](O)C[NH+](C)C[C@H]2CC[N@H+](C)C2)C[C@H](C)O1 ZINC000435766083 545095409 /nfs/dbraw/zinc/09/54/09/545095409.db2.gz UQSZMGRLDZUQLS-XUWVNRHRSA-N 2 2 299.459 0.340 20 0 CCADLP C[C@@H]1CN(C[C@H](O)C[NH+](C)C[C@H]2CC[N@@H+](C)C2)C[C@H](C)O1 ZINC000435766083 545095410 /nfs/dbraw/zinc/09/54/10/545095410.db2.gz UQSZMGRLDZUQLS-XUWVNRHRSA-N 2 2 299.459 0.340 20 0 CCADLP C[C@@H]1C[N@@H+](C[C@H](O)CN(C)C[C@H]2CC[NH+](C)C2)C[C@H](C)O1 ZINC000435766083 545095411 /nfs/dbraw/zinc/09/54/11/545095411.db2.gz UQSZMGRLDZUQLS-XUWVNRHRSA-N 2 2 299.459 0.340 20 0 CCADLP C[C@@H]1C[N@H+](C[C@H](O)CN(C)C[C@H]2CC[NH+](C)C2)C[C@H](C)O1 ZINC000435766083 545095412 /nfs/dbraw/zinc/09/54/12/545095412.db2.gz UQSZMGRLDZUQLS-XUWVNRHRSA-N 2 2 299.459 0.340 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN(C)C[C@H]2CC[N@H+](C)C2)C[C@H](C)O1 ZINC000435766083 545095413 /nfs/dbraw/zinc/09/54/13/545095413.db2.gz UQSZMGRLDZUQLS-XUWVNRHRSA-N 2 2 299.459 0.340 20 0 CCADLP C[C@@H]1C[NH+](C[C@H](O)CN(C)C[C@H]2CC[N@@H+](C)C2)C[C@H](C)O1 ZINC000435766083 545095414 /nfs/dbraw/zinc/09/54/14/545095414.db2.gz UQSZMGRLDZUQLS-XUWVNRHRSA-N 2 2 299.459 0.340 20 0 CCADLP C[C@@H](CNC(=O)NCC[N@@H+]1CCOC(C)(C)C1)[NH+](C)C ZINC000454628618 533955940 /nfs/dbraw/zinc/95/59/40/533955940.db2.gz HRPXICDAUWNJGA-LBPRGKRZSA-N 2 2 286.420 0.347 20 0 CCADLP C[C@@H](CNC(=O)NCC[N@H+]1CCOC(C)(C)C1)[NH+](C)C ZINC000454628618 533955949 /nfs/dbraw/zinc/95/59/49/533955949.db2.gz HRPXICDAUWNJGA-LBPRGKRZSA-N 2 2 286.420 0.347 20 0 CCADLP COC(=O)c1ccc(C[N@H+](C)C2CC[NH+](CCO)CC2)[nH]1 ZINC000359219239 534096081 /nfs/dbraw/zinc/09/60/81/534096081.db2.gz DUKCGFSHIAXYAS-UHFFFAOYSA-N 2 2 295.383 0.690 20 0 CCADLP COC(=O)c1ccc(C[N@@H+](C)C2CC[NH+](CCO)CC2)[nH]1 ZINC000359219239 534096087 /nfs/dbraw/zinc/09/60/87/534096087.db2.gz DUKCGFSHIAXYAS-UHFFFAOYSA-N 2 2 295.383 0.690 20 0 CCADLP CC[NH+](CC)C[C@@H](C)NC(=O)NCCc1cn(C)c[nH+]1 ZINC000458020088 545097759 /nfs/dbraw/zinc/09/77/59/545097759.db2.gz SEBYYIARFDNRKQ-GFCCVEGCSA-N 2 2 281.404 0.992 20 0 CCADLP C[C@@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC000179314856 534312328 /nfs/dbraw/zinc/31/23/28/534312328.db2.gz VAMFTCLCNLASCY-CYBMUJFWSA-N 2 2 298.431 0.443 20 0 CCADLP CC(=O)NCC1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000347745832 534355483 /nfs/dbraw/zinc/35/54/83/534355483.db2.gz INWZBILAKJFBHP-UHFFFAOYSA-N 2 2 264.373 0.811 20 0 CCADLP CC(C)(C)OC[C@@H](O)C[NH+]1CCN(Cc2[nH]cc[nH+]2)CC1 ZINC000353635443 518880317 /nfs/dbraw/zinc/88/03/17/518880317.db2.gz ADXBMHCWEGDXAT-ZDUSSCGKSA-N 2 2 296.415 0.703 20 0 CCADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000358214979 534440051 /nfs/dbraw/zinc/44/00/51/534440051.db2.gz GAHYEUUUTZPLAL-OCCSQVGLSA-N 2 2 297.424 0.505 20 0 CCADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000358214979 534440055 /nfs/dbraw/zinc/44/00/55/534440055.db2.gz GAHYEUUUTZPLAL-OCCSQVGLSA-N 2 2 297.424 0.505 20 0 CCADLP O=C(COC1C[NH2+]C1)NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000423839385 534610556 /nfs/dbraw/zinc/61/05/56/534610556.db2.gz JBNJVPSZJHFRRZ-UHFFFAOYSA-N 2 2 286.335 0.681 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)N1CCC[N@H+](C)CC1 ZINC000183465810 522309360 /nfs/dbraw/zinc/30/93/60/522309360.db2.gz QTLXSNPBFGIEJP-UHFFFAOYSA-N 2 2 262.357 0.925 20 0 CCADLP CN(C)c1cc[nH+]cc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000183465810 522309366 /nfs/dbraw/zinc/30/93/66/522309366.db2.gz QTLXSNPBFGIEJP-UHFFFAOYSA-N 2 2 262.357 0.925 20 0 CCADLP CN(C(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000049306482 522419013 /nfs/dbraw/zinc/41/90/13/522419013.db2.gz VATFONAFTZMXED-QYJAPNMZSA-N 2 2 251.374 0.822 20 0 CCADLP CN(C(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000049306482 522419023 /nfs/dbraw/zinc/41/90/23/522419023.db2.gz VATFONAFTZMXED-QYJAPNMZSA-N 2 2 251.374 0.822 20 0 CCADLP COCC[N@H+](C)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000156356764 523598162 /nfs/dbraw/zinc/59/81/62/523598162.db2.gz LGGIJAMDGXRYNH-LBPRGKRZSA-N 2 2 280.372 0.140 20 0 CCADLP COCC[N@@H+](C)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000156356764 523598174 /nfs/dbraw/zinc/59/81/74/523598174.db2.gz LGGIJAMDGXRYNH-LBPRGKRZSA-N 2 2 280.372 0.140 20 0 CCADLP CN1CC[N@H+](C)[C@H](CNC(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000068807684 523888317 /nfs/dbraw/zinc/88/83/17/523888317.db2.gz JMYSSYPGINVWCC-CABCVRRESA-N 2 2 290.411 0.439 20 0 CCADLP CN1CC[N@@H+](C)[C@H](CNC(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000068807684 523888324 /nfs/dbraw/zinc/88/83/24/523888324.db2.gz JMYSSYPGINVWCC-CABCVRRESA-N 2 2 290.411 0.439 20 0 CCADLP Cn1cc[nH+]c1CNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000424156200 534789795 /nfs/dbraw/zinc/78/97/95/534789795.db2.gz OAKDHQRWNBTUCO-SNVBAGLBSA-N 2 2 288.355 0.540 20 0 CCADLP Cc1ccc(F)cc1C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000157053188 524849874 /nfs/dbraw/zinc/84/98/74/524849874.db2.gz SVDVIQLAXVNMLB-UHFFFAOYSA-N 2 2 279.359 0.998 20 0 CCADLP Cc1ccc(F)cc1C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000157053188 524849886 /nfs/dbraw/zinc/84/98/86/524849886.db2.gz SVDVIQLAXVNMLB-UHFFFAOYSA-N 2 2 279.359 0.998 20 0 CCADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263002464 524921372 /nfs/dbraw/zinc/92/13/72/524921372.db2.gz OXJMWHMMTRATIZ-FBIMIBRVSA-N 2 2 273.327 0.583 20 0 CCADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263002464 524921382 /nfs/dbraw/zinc/92/13/82/524921382.db2.gz OXJMWHMMTRATIZ-FBIMIBRVSA-N 2 2 273.327 0.583 20 0 CCADLP Cc1cccc2[nH+]c(CNC(=O)[C@]3(F)CC[NH2+]C3)cn21 ZINC000370773775 524983822 /nfs/dbraw/zinc/98/38/22/524983822.db2.gz PHNKKVKUDGHDLZ-AWEZNQCLSA-N 2 2 276.315 0.961 20 0 CCADLP Cc1ccc(NC(=O)C(=O)N[C@H](C)C[NH+](C)C)c(C)[nH+]1 ZINC000357608657 525011412 /nfs/dbraw/zinc/01/14/12/525011412.db2.gz ZOLRANVJPCHZPA-SNVBAGLBSA-N 2 2 278.356 0.703 20 0 CCADLP c1nc(N2CC[C@@H]([NH+]3CCCC3)C2)c2c([nH+]1)NCCO2 ZINC000665697836 545103531 /nfs/dbraw/zinc/10/35/31/545103531.db2.gz FVTJHWDXHJIWPX-LLVKDONJSA-N 2 2 275.356 0.955 20 0 CCADLP CC(C)[C@H](CNC(=O)C1([NH+](C)C)CC1)[NH+]1CCOCC1 ZINC000665829073 545108325 /nfs/dbraw/zinc/10/83/25/545108325.db2.gz TUARRJXWSVELKC-ZDUSSCGKSA-N 2 2 283.416 0.554 20 0 CCADLP CO[C@H](C)CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000666255207 545117531 /nfs/dbraw/zinc/11/75/31/545117531.db2.gz LITQFCZOJWGQSE-GFCCVEGCSA-N 2 2 274.409 0.204 20 0 CCADLP CO[C@H](C)CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000666255207 545117532 /nfs/dbraw/zinc/11/75/32/545117532.db2.gz LITQFCZOJWGQSE-GFCCVEGCSA-N 2 2 274.409 0.204 20 0 CCADLP Fc1cccn2cc(C[NH2+]C[C@H]3C[NH2+]CCO3)nc12 ZINC000667036149 545137754 /nfs/dbraw/zinc/13/77/54/545137754.db2.gz FPDWURFGUBXCTH-LLVKDONJSA-N 2 2 264.304 0.551 20 0 CCADLP [NH3+]C[C@H](C(=O)NCCn1cc[nH+]c1)c1ccccc1 ZINC000061612755 527224039 /nfs/dbraw/zinc/22/40/39/527224039.db2.gz NLIDCCDKZVJEEF-ZDUSSCGKSA-N 2 2 258.325 0.742 20 0 CCADLP Cc1[nH+]cc(CN2CC[NH+](CC(C)(C)O)CC2)n1C ZINC000667584888 545150419 /nfs/dbraw/zinc/15/04/19/545150419.db2.gz JTJQXCYXHAEQDZ-UHFFFAOYSA-N 2 2 266.389 0.617 20 0 CCADLP C(C[NH+]1CCOCC1)N1CCC([NH2+][C@@H]2CC23CC3)CC1 ZINC000424318878 527478051 /nfs/dbraw/zinc/47/80/51/527478051.db2.gz HYLVEZMJIXCHNM-OAHLLOKOSA-N 2 2 279.428 0.925 20 0 CCADLP C(C[NH+]1CCC([NH2+][C@@H]2CC23CC3)CC1)N1CCOCC1 ZINC000424318878 527478058 /nfs/dbraw/zinc/47/80/58/527478058.db2.gz HYLVEZMJIXCHNM-OAHLLOKOSA-N 2 2 279.428 0.925 20 0 CCADLP C(CN1CCOCC1)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428041385 527483154 /nfs/dbraw/zinc/48/31/54/527483154.db2.gz PNPZKYTYYJZVTA-UONOGXRCSA-N 2 2 253.390 0.393 20 0 CCADLP C(CN1CCOCC1)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428041385 527483157 /nfs/dbraw/zinc/48/31/57/527483157.db2.gz PNPZKYTYYJZVTA-UONOGXRCSA-N 2 2 253.390 0.393 20 0 CCADLP CCC[N@H+](CC(N)=O)Cc1ccnn1-c1cc[nH+]cc1 ZINC000668188833 545166506 /nfs/dbraw/zinc/16/65/06/545166506.db2.gz QJJXGOYMTKMJFF-UHFFFAOYSA-N 2 2 273.340 0.965 20 0 CCADLP CCC[N@@H+](CC(N)=O)Cc1ccnn1-c1cc[nH+]cc1 ZINC000668188833 545166507 /nfs/dbraw/zinc/16/65/07/545166507.db2.gz QJJXGOYMTKMJFF-UHFFFAOYSA-N 2 2 273.340 0.965 20 0 CCADLP Cn1nccc1C[N@H+](CCO)C1CC[NH+](C)CC1 ZINC000155494035 527606079 /nfs/dbraw/zinc/60/60/79/527606079.db2.gz UOTHKYJKRZKVSX-UHFFFAOYSA-N 2 2 252.362 0.309 20 0 CCADLP Cn1nccc1C[N@@H+](CCO)C1CC[NH+](C)CC1 ZINC000155494035 527606084 /nfs/dbraw/zinc/60/60/84/527606084.db2.gz UOTHKYJKRZKVSX-UHFFFAOYSA-N 2 2 252.362 0.309 20 0 CCADLP CC(C)(CNC(=O)N[C@@H]1CCC[NH2+]CC1)[NH+]1CCOCC1 ZINC000668618282 545184280 /nfs/dbraw/zinc/18/42/80/545184280.db2.gz AXCVLTVJXJDURP-CYBMUJFWSA-N 2 2 298.431 0.539 20 0 CCADLP O=C(NCC[NH+]1CCSCC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000668638456 545184839 /nfs/dbraw/zinc/18/48/39/545184839.db2.gz JSOJNVJZLBDGRN-LLVKDONJSA-N 2 2 294.424 0.680 20 0 CCADLP CC[N@@H+]1CCOC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000358514681 527721986 /nfs/dbraw/zinc/72/19/86/527721986.db2.gz FWVGQQXRDLKBIL-STQMWFEESA-N 2 2 269.389 0.117 20 0 CCADLP CC[N@H+]1CCOC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000358514681 527721990 /nfs/dbraw/zinc/72/19/90/527721990.db2.gz FWVGQQXRDLKBIL-STQMWFEESA-N 2 2 269.389 0.117 20 0 CCADLP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3cnn4c3CCC4)CC2)C1 ZINC000668739579 545189389 /nfs/dbraw/zinc/18/93/89/545189389.db2.gz NEISARYMIZDRSD-OAHLLOKOSA-N 2 2 290.411 0.860 20 0 CCADLP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3cnn4c3CCC4)CC2)C1 ZINC000668739579 545189390 /nfs/dbraw/zinc/18/93/90/545189390.db2.gz NEISARYMIZDRSD-OAHLLOKOSA-N 2 2 290.411 0.860 20 0 CCADLP CCC1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000334198991 527869528 /nfs/dbraw/zinc/86/95/28/527869528.db2.gz NCPGVHARIQTHKH-UHFFFAOYSA-N 2 2 253.390 0.882 20 0 CCADLP CC[N@@H+]1CC[C@H](NC(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC000412874159 527872751 /nfs/dbraw/zinc/87/27/51/527872751.db2.gz IJTZCKTULMCGGC-LSDHHAIUSA-N 2 2 295.427 0.698 20 0 CCADLP CC[N@H+]1CC[C@H](NC(=O)[C@H]2COCC[NH+]2CC2CCC2)C1 ZINC000412874159 527872758 /nfs/dbraw/zinc/87/27/58/527872758.db2.gz IJTZCKTULMCGGC-LSDHHAIUSA-N 2 2 295.427 0.698 20 0 CCADLP CC[NH+]1CC[C@H](NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)C1 ZINC000412874159 527872762 /nfs/dbraw/zinc/87/27/62/527872762.db2.gz IJTZCKTULMCGGC-LSDHHAIUSA-N 2 2 295.427 0.698 20 0 CCADLP CC[NH+]1CC[C@H](NC(=O)[C@H]2COCC[N@H+]2CC2CCC2)C1 ZINC000412874159 527872768 /nfs/dbraw/zinc/87/27/68/527872768.db2.gz IJTZCKTULMCGGC-LSDHHAIUSA-N 2 2 295.427 0.698 20 0 CCADLP CC(C)OC1CC([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC000428068585 527879046 /nfs/dbraw/zinc/87/90/46/527879046.db2.gz BYDRVBQQTCCSIX-RUXDESIVSA-N 2 2 283.416 0.872 20 0 CCADLP CC(C)OC1CC([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC000428068585 527879050 /nfs/dbraw/zinc/87/90/50/527879050.db2.gz BYDRVBQQTCCSIX-RUXDESIVSA-N 2 2 283.416 0.872 20 0 CCADLP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)C12CCC2 ZINC000423541308 527941542 /nfs/dbraw/zinc/94/15/42/527941542.db2.gz APMNVVHKQCCPMG-RWMBFGLXSA-N 2 2 254.374 0.912 20 0 CCADLP CCOC(=O)[C@H]1CCCCN1C(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000420301924 528050495 /nfs/dbraw/zinc/05/04/95/528050495.db2.gz FKFIKJLMZVEHMF-GFCCVEGCSA-N 2 2 297.399 0.402 20 0 CCADLP O=C(NCC[NH2+]C1CC1)NCCc1cn2c([nH+]1)CCCC2 ZINC000669388524 545206225 /nfs/dbraw/zinc/20/62/25/545206225.db2.gz SVCUXRVZRZJUGS-UHFFFAOYSA-N 2 2 291.399 0.813 20 0 CCADLP CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424328910 528170525 /nfs/dbraw/zinc/17/05/25/528170525.db2.gz GBJCMWZERUDOOV-IVZWLZJFSA-N 2 2 256.350 0.080 20 0 CCADLP C[C@@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccncc1 ZINC000669519162 545212155 /nfs/dbraw/zinc/21/21/55/545212155.db2.gz WFXCALVLBBBVHF-GXTWGEPZSA-N 2 2 291.399 0.469 20 0 CCADLP C[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccncc1 ZINC000669519162 545212156 /nfs/dbraw/zinc/21/21/56/545212156.db2.gz WFXCALVLBBBVHF-GXTWGEPZSA-N 2 2 291.399 0.469 20 0 CCADLP [NH3+][C@@H](CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CC1 ZINC000669542796 545213931 /nfs/dbraw/zinc/21/39/31/545213931.db2.gz IAVKQRHUDOGTBA-OLZOCXBDSA-N 2 2 289.383 0.697 20 0 CCADLP C[N@@H+]1CCN(C(=O)NC[C@@H]2CCC(F)(F)C2)[C@@H](C[NH3+])C1 ZINC000669576339 545215351 /nfs/dbraw/zinc/21/53/51/545215351.db2.gz QGTCJZDWKYUCFF-MNOVXSKESA-N 2 2 290.358 0.706 20 0 CCADLP C[N@H+]1CCN(C(=O)NC[C@@H]2CCC(F)(F)C2)[C@@H](C[NH3+])C1 ZINC000669576339 545215352 /nfs/dbraw/zinc/21/53/52/545215352.db2.gz QGTCJZDWKYUCFF-MNOVXSKESA-N 2 2 290.358 0.706 20 0 CCADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H]2F)[C@@H](C[NH3+])C1 ZINC000669592640 545215960 /nfs/dbraw/zinc/21/59/60/545215960.db2.gz ZASLDXIQDFIPIP-GARJFASQSA-N 2 2 258.341 0.161 20 0 CCADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H]2F)[C@@H](C[NH3+])C1 ZINC000669592640 545215961 /nfs/dbraw/zinc/21/59/61/545215961.db2.gz ZASLDXIQDFIPIP-GARJFASQSA-N 2 2 258.341 0.161 20 0 CCADLP CCCC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000423529305 528475257 /nfs/dbraw/zinc/47/52/57/528475257.db2.gz PNKRTGUATIFJTH-LJISPDSOSA-N 2 2 295.427 0.683 20 0 CCADLP CCCC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000423529305 528475259 /nfs/dbraw/zinc/47/52/59/528475259.db2.gz PNKRTGUATIFJTH-LJISPDSOSA-N 2 2 295.427 0.683 20 0 CCADLP CC(C)(C(=O)N1CC[NH+]2CCC1CC2)c1c[nH+]c[nH]1 ZINC000670420433 545234039 /nfs/dbraw/zinc/23/40/39/545234039.db2.gz VOIBKRGDMHHBFO-UHFFFAOYSA-N 2 2 262.357 0.994 20 0 CCADLP CCOC1CC([NH2+]C[C@H]2CCC[N@@H+]2CCCO)C1 ZINC000449387216 528513186 /nfs/dbraw/zinc/51/31/86/528513186.db2.gz KYQASFQBGNNJQE-ROKHWSDSSA-N 2 2 256.390 0.990 20 0 CCADLP CCOC1CC([NH2+]C[C@H]2CCC[N@H+]2CCCO)C1 ZINC000449387216 528513189 /nfs/dbraw/zinc/51/31/89/528513189.db2.gz KYQASFQBGNNJQE-ROKHWSDSSA-N 2 2 256.390 0.990 20 0 CCADLP CN(C)C(=O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670985161 545240961 /nfs/dbraw/zinc/24/09/61/545240961.db2.gz BGVZDVGEFVKVAK-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP CN(C)C(=O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670985161 545240962 /nfs/dbraw/zinc/24/09/62/545240962.db2.gz BGVZDVGEFVKVAK-ZDUSSCGKSA-N 2 2 269.389 0.261 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449653411 528812722 /nfs/dbraw/zinc/81/27/22/528812722.db2.gz CDDNZYNSXDGUCD-SNVBAGLBSA-N 2 2 263.332 0.688 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[NH2+]CC1(F)F ZINC000449653411 528812729 /nfs/dbraw/zinc/81/27/29/528812729.db2.gz CDDNZYNSXDGUCD-SNVBAGLBSA-N 2 2 263.332 0.688 20 0 CCADLP C[N@@H+]1CC[C@H]([NH2+]Cc2nnc3n2CCOC3)[C@@H]2CCC[C@H]21 ZINC000671762275 545259523 /nfs/dbraw/zinc/25/95/23/545259523.db2.gz RQIVUZTZQMPUQE-RWMBFGLXSA-N 2 2 291.399 0.771 20 0 CCADLP C[N@H+]1CC[C@H]([NH2+]Cc2nnc3n2CCOC3)[C@@H]2CCC[C@H]21 ZINC000671762275 545259524 /nfs/dbraw/zinc/25/95/24/545259524.db2.gz RQIVUZTZQMPUQE-RWMBFGLXSA-N 2 2 291.399 0.771 20 0 CCADLP CCCC[C@@H]([NH3+])C(=O)N1CC[N@H+](CCC(=O)OC)[C@H](C)C1 ZINC000423893652 528835467 /nfs/dbraw/zinc/83/54/67/528835467.db2.gz LNZUITLNNVUBOF-CHWSQXEVSA-N 2 2 299.415 0.600 20 0 CCADLP CCCC[C@@H]([NH3+])C(=O)N1CC[N@@H+](CCC(=O)OC)[C@H](C)C1 ZINC000423893652 528835470 /nfs/dbraw/zinc/83/54/70/528835470.db2.gz LNZUITLNNVUBOF-CHWSQXEVSA-N 2 2 299.415 0.600 20 0 CCADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000423878910 528860471 /nfs/dbraw/zinc/86/04/71/528860471.db2.gz QMTRTVVZYVNVHO-CYBMUJFWSA-N 2 2 294.399 0.673 20 0 CCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[NH2+]C[C@](C)(F)C2)C1 ZINC000423691712 529052385 /nfs/dbraw/zinc/05/23/85/529052385.db2.gz PUOKAPVTNJSVPY-JSGCOSHPSA-N 2 2 287.379 0.256 20 0 CCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[NH2+]C[C@](C)(F)C2)C1 ZINC000423691712 529052388 /nfs/dbraw/zinc/05/23/88/529052388.db2.gz PUOKAPVTNJSVPY-JSGCOSHPSA-N 2 2 287.379 0.256 20 0 CCADLP CCN(C)C(=O)CC[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424285413 529117711 /nfs/dbraw/zinc/11/77/11/529117711.db2.gz DWQDRHSLQFABAO-QWHCGFSZSA-N 2 2 279.388 0.015 20 0 CCADLP CCN(C)C(=O)CC[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424285413 529117713 /nfs/dbraw/zinc/11/77/13/529117713.db2.gz DWQDRHSLQFABAO-QWHCGFSZSA-N 2 2 279.388 0.015 20 0 CCADLP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2CCCO)CO1 ZINC000418077320 529139795 /nfs/dbraw/zinc/13/97/95/529139795.db2.gz LNNKGXCUWVBFTD-OLZOCXBDSA-N 2 2 256.390 0.990 20 0 CCADLP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2CCCO)CO1 ZINC000418077320 529139796 /nfs/dbraw/zinc/13/97/96/529139796.db2.gz LNNKGXCUWVBFTD-OLZOCXBDSA-N 2 2 256.390 0.990 20 0 CCADLP C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000673658811 545290274 /nfs/dbraw/zinc/29/02/74/545290274.db2.gz ATFRWIAAIOOAFW-STQMWFEESA-N 2 2 278.356 0.377 20 0 CCADLP C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000673658811 545290275 /nfs/dbraw/zinc/29/02/75/545290275.db2.gz ATFRWIAAIOOAFW-STQMWFEESA-N 2 2 278.356 0.377 20 0 CCADLP COc1cc[nH+]c(CN2CC[NH+](C(C)(C)CO)CC2)c1 ZINC000673896298 545294792 /nfs/dbraw/zinc/29/47/92/545294792.db2.gz TYPISZOEFMMZNY-UHFFFAOYSA-N 2 2 279.384 0.979 20 0 CCADLP C[C@H]1C[C@H](NC(=O)NCc2[nH+]ccn2C)C[N@@H+]1C1CC1 ZINC000674699934 545310551 /nfs/dbraw/zinc/31/05/51/545310551.db2.gz WPTIUICBAVPNTD-QWRGUYRKSA-N 2 2 277.372 0.845 20 0 CCADLP C[C@H]1C[C@H](NC(=O)NCc2[nH+]ccn2C)C[N@H+]1C1CC1 ZINC000674699934 545310552 /nfs/dbraw/zinc/31/05/52/545310552.db2.gz WPTIUICBAVPNTD-QWRGUYRKSA-N 2 2 277.372 0.845 20 0 CCADLP CC(C)OCCCNC(=O)C1CC[NH+](CC[NH3+])CC1 ZINC000345524037 535326669 /nfs/dbraw/zinc/32/66/69/535326669.db2.gz VXUDNCCAXKLEMR-UHFFFAOYSA-N 2 2 271.405 0.588 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](CC(=O)NCC2CCC2)CC1 ZINC000675621368 545329412 /nfs/dbraw/zinc/32/94/12/545329412.db2.gz MBABUMCWSMRYQU-UHFFFAOYSA-N 2 2 291.399 0.458 20 0 CCADLP Cc1nn(C)cc1[C@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000675781872 545331389 /nfs/dbraw/zinc/33/13/89/545331389.db2.gz FJXARUMMFNJYJF-NSHDSACASA-N 2 2 279.388 0.153 20 0 CCADLP CC[C@H](C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1)[NH+](C)C ZINC000676401385 545343367 /nfs/dbraw/zinc/34/33/67/545343367.db2.gz ZWGWQYJQRZTUJE-IJLUTSLNSA-N 2 2 257.378 0.162 20 0 CCADLP CC[C@H](C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1)[NH+](C)C ZINC000676401385 545343368 /nfs/dbraw/zinc/34/33/68/545343368.db2.gz ZWGWQYJQRZTUJE-IJLUTSLNSA-N 2 2 257.378 0.162 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cncs1 ZINC000676664322 545348013 /nfs/dbraw/zinc/34/80/13/545348013.db2.gz JMRVBNQPDCBCND-UHFFFAOYSA-N 2 2 270.402 0.756 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cncs1 ZINC000676664322 545348014 /nfs/dbraw/zinc/34/80/14/545348014.db2.gz JMRVBNQPDCBCND-UHFFFAOYSA-N 2 2 270.402 0.756 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)[C@H]1C[N@H+](C)CCO1 ZINC000676844410 545353863 /nfs/dbraw/zinc/35/38/63/545353863.db2.gz IYLMKTIUJZORQF-SGMGOOAPSA-N 2 2 292.383 0.281 20 0 CCADLP C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)[C@H]1C[N@@H+](C)CCO1 ZINC000676844410 545353864 /nfs/dbraw/zinc/35/38/64/545353864.db2.gz IYLMKTIUJZORQF-SGMGOOAPSA-N 2 2 292.383 0.281 20 0 CCADLP CC[N@@H+]1CC[C@H]([NH2+]CCC[NH+]2CCC[C@@H]2C(N)=O)[C@H](C)C1 ZINC000347351267 535767934 /nfs/dbraw/zinc/76/79/34/535767934.db2.gz DLPQWMNQCXYDDQ-QLFBSQMISA-N 3 2 296.459 0.646 20 0 CCADLP CC[N@H+]1CC[C@H]([NH2+]CCC[NH+]2CCC[C@@H]2C(N)=O)[C@H](C)C1 ZINC000347351267 535767938 /nfs/dbraw/zinc/76/79/38/535767938.db2.gz DLPQWMNQCXYDDQ-QLFBSQMISA-N 3 2 296.459 0.646 20 0 CCADLP CC[NH+]1CC[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)[C@H](C)C1 ZINC000347351267 535767941 /nfs/dbraw/zinc/76/79/41/535767941.db2.gz DLPQWMNQCXYDDQ-QLFBSQMISA-N 3 2 296.459 0.646 20 0 CCADLP CC[NH+]1CC[C@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)[C@H](C)C1 ZINC000347351267 535767943 /nfs/dbraw/zinc/76/79/43/535767943.db2.gz DLPQWMNQCXYDDQ-QLFBSQMISA-N 3 2 296.459 0.646 20 0 CCADLP CC[NH+]1CCN(CC(=O)N2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC000677185377 545360350 /nfs/dbraw/zinc/36/03/50/545360350.db2.gz ZAFKLUFINMRCBU-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP CC[NH+]1CCN(CC(=O)N2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC000677185377 545360351 /nfs/dbraw/zinc/36/03/51/545360351.db2.gz ZAFKLUFINMRCBU-AWEZNQCLSA-N 2 2 282.432 0.177 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000678714897 545396601 /nfs/dbraw/zinc/39/66/01/545396601.db2.gz XXZVFBYCRIVYIA-HZPDHXFCSA-N 2 2 297.443 0.504 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OC)C[N@H+]1CCn1cc[nH+]c1C ZINC000346325799 536511372 /nfs/dbraw/zinc/51/13/72/536511372.db2.gz MDVXWEAAWSCARV-NEPJUHHUSA-N 2 2 267.329 0.454 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](OC)C[N@@H+]1CCn1cc[nH+]c1C ZINC000346325799 536511375 /nfs/dbraw/zinc/51/13/75/536511375.db2.gz MDVXWEAAWSCARV-NEPJUHHUSA-N 2 2 267.329 0.454 20 0 CCADLP COC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000262271761 536657046 /nfs/dbraw/zinc/65/70/46/536657046.db2.gz KMWDWEWPGBJTCJ-GFCCVEGCSA-N 2 2 298.412 0.069 20 0 CCADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)[nH]1 ZINC000427128216 536669148 /nfs/dbraw/zinc/66/91/48/536669148.db2.gz KAWKUWNPGIQORQ-JQWIXIFHSA-N 2 2 263.341 0.985 20 0 CCADLP COC(=O)c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)[nH]1 ZINC000427128216 536669152 /nfs/dbraw/zinc/66/91/52/536669152.db2.gz KAWKUWNPGIQORQ-JQWIXIFHSA-N 2 2 263.341 0.985 20 0 CCADLP COC[C@@H]([NH3+])C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000262333746 536669696 /nfs/dbraw/zinc/66/96/96/536669696.db2.gz RXCJWNQVDVHIDA-WDEREUQCSA-N 2 2 294.399 0.585 20 0 CCADLP COCCn1cc(C[NH2+][C@H](C)CC[NH+]2CCOCC2)cn1 ZINC000347774643 536846387 /nfs/dbraw/zinc/84/63/87/536846387.db2.gz JRDVQXOPBYZMJP-CQSZACIVSA-N 2 2 296.415 0.730 20 0 CCADLP Cn1ccnc1[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)C1CC1 ZINC000681562291 545456147 /nfs/dbraw/zinc/45/61/47/545456147.db2.gz AZVUWPAQNJVTMT-CQSZACIVSA-N 2 2 291.399 0.235 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccncn3)C2)CC1 ZINC000681730924 545460691 /nfs/dbraw/zinc/46/06/91/545460691.db2.gz ZDDLUFMWWIDHCA-LBPRGKRZSA-N 2 2 289.383 0.375 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccncn3)C2)CC1 ZINC000681730924 545460692 /nfs/dbraw/zinc/46/06/92/545460692.db2.gz ZDDLUFMWWIDHCA-LBPRGKRZSA-N 2 2 289.383 0.375 20 0 CCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC(n2cc[nH+]c2)C1 ZINC000682503310 545480927 /nfs/dbraw/zinc/48/09/27/545480927.db2.gz RGEXALZDQNROGV-LLVKDONJSA-N 2 2 271.324 0.726 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000683667445 545556357 /nfs/dbraw/zinc/55/63/57/545556357.db2.gz DDZQITFPCVLAOF-RRFJBIMHSA-N 2 2 288.432 0.861 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000683667445 545556360 /nfs/dbraw/zinc/55/63/60/545556360.db2.gz DDZQITFPCVLAOF-RRFJBIMHSA-N 2 2 288.432 0.861 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH+]1CC([C@@H]2CCOC2)C1)C1CC1 ZINC000685911332 545867054 /nfs/dbraw/zinc/86/70/54/545867054.db2.gz DRHWVYUJROTIKB-BXUZGUMPSA-N 2 2 254.374 0.410 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH+]1CC([C@@H]2CCOC2)C1)C1CC1 ZINC000685911332 545867056 /nfs/dbraw/zinc/86/70/56/545867056.db2.gz DRHWVYUJROTIKB-BXUZGUMPSA-N 2 2 254.374 0.410 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCC3CC3)C[C@H]21 ZINC000962295725 649897701 /nfs/dbraw/zinc/89/77/01/649897701.db2.gz URBGHPGOCVIPSX-FOLVSLTJSA-N 2 2 288.395 0.809 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCC3CC3)C[C@H]21 ZINC000962295725 649897702 /nfs/dbraw/zinc/89/77/02/649897702.db2.gz URBGHPGOCVIPSX-FOLVSLTJSA-N 2 2 288.395 0.809 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NC1CC(C[NH2+]C[C@H]2CCOC2)C1 ZINC000962360033 649899083 /nfs/dbraw/zinc/89/90/83/649899083.db2.gz RBVKYAKJERQNII-PNESKVBLSA-N 2 2 292.383 0.473 20 0 CCADLP CC[C@H](CO)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000779775960 581203885 /nfs/dbraw/zinc/20/38/85/581203885.db2.gz JYKLGGKMTFOTDW-CHWSQXEVSA-N 2 2 283.416 0.290 20 0 CCADLP CC[C@H](CO)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000779775960 581203888 /nfs/dbraw/zinc/20/38/88/581203888.db2.gz JYKLGGKMTFOTDW-CHWSQXEVSA-N 2 2 283.416 0.290 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCC2OCCO2)C1 ZINC000791048557 581205860 /nfs/dbraw/zinc/20/58/60/581205860.db2.gz RJXSAIIEGLWVCS-LLVKDONJSA-N 2 2 251.330 0.972 20 0 CCADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCC2OCCO2)C1 ZINC000791048557 581205862 /nfs/dbraw/zinc/20/58/62/581205862.db2.gz RJXSAIIEGLWVCS-LLVKDONJSA-N 2 2 251.330 0.972 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)N(C)C(=S)NCC[NH+](C)C ZINC000788332860 581107358 /nfs/dbraw/zinc/10/73/58/581107358.db2.gz LMPWDXMMODXIMD-GFCCVEGCSA-N 2 2 288.461 0.075 20 0 CCADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1ccc(F)nc1 ZINC000778170340 581144446 /nfs/dbraw/zinc/14/44/46/581144446.db2.gz OWPYZFHXAMLSBD-GFCCVEGCSA-N 2 2 252.337 0.556 20 0 CCADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1ccc(F)nc1 ZINC000778170340 581144447 /nfs/dbraw/zinc/14/44/47/581144447.db2.gz OWPYZFHXAMLSBD-GFCCVEGCSA-N 2 2 252.337 0.556 20 0 CCADLP CCCCC[N@@H+](CC(N)=O)C[C@H](O)C[NH+]1CCCC1 ZINC000780340015 581225219 /nfs/dbraw/zinc/22/52/19/581225219.db2.gz OYOKGGRBOMHYTB-CYBMUJFWSA-N 2 2 271.405 0.421 20 0 CCADLP CCCCC[N@H+](CC(N)=O)C[C@H](O)C[NH+]1CCCC1 ZINC000780340015 581225221 /nfs/dbraw/zinc/22/52/21/581225221.db2.gz OYOKGGRBOMHYTB-CYBMUJFWSA-N 2 2 271.405 0.421 20 0 CCADLP C[NH+](C)C1(C(=O)N2CC[N@H+](CCO)C(C)(C)C2)CCC1 ZINC000781687177 581273937 /nfs/dbraw/zinc/27/39/37/581273937.db2.gz ORYYYZBNHZAQMR-UHFFFAOYSA-N 2 2 283.416 0.386 20 0 CCADLP C[NH+](C)C1(C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CCC1 ZINC000781687177 581273938 /nfs/dbraw/zinc/27/39/38/581273938.db2.gz ORYYYZBNHZAQMR-UHFFFAOYSA-N 2 2 283.416 0.386 20 0 CCADLP C[NH+]1CCN(C(=O)CNc2[nH+]cnc3[nH]ccc32)CC1 ZINC000726966987 581287788 /nfs/dbraw/zinc/28/77/88/581287788.db2.gz FSXAPZLLXSUFGI-UHFFFAOYSA-N 2 2 274.328 0.144 20 0 CCADLP C[C@H]1CN(C(=O)C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CCO1 ZINC000795312333 581403538 /nfs/dbraw/zinc/40/35/38/581403538.db2.gz WSTXFHFGHBYQJJ-DZGCQCFKSA-N 2 2 281.400 0.261 20 0 CCADLP C[C@H]1CN(C(=O)C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CCO1 ZINC000795312333 581403541 /nfs/dbraw/zinc/40/35/41/581403541.db2.gz WSTXFHFGHBYQJJ-DZGCQCFKSA-N 2 2 281.400 0.261 20 0 CCADLP C[C@H]1CN(C(=O)C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)CCO1 ZINC000795312333 581403543 /nfs/dbraw/zinc/40/35/43/581403543.db2.gz WSTXFHFGHBYQJJ-DZGCQCFKSA-N 2 2 281.400 0.261 20 0 CCADLP C[C@H]1CN(C(=O)C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)CCO1 ZINC000795312333 581403544 /nfs/dbraw/zinc/40/35/44/581403544.db2.gz WSTXFHFGHBYQJJ-DZGCQCFKSA-N 2 2 281.400 0.261 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2CCC[NH+]2C2CC2)CC[N@@H+]1C ZINC000787390823 581469673 /nfs/dbraw/zinc/46/96/73/581469673.db2.gz NUIZRXLFIGHGKJ-AAEUAGOBSA-N 2 2 251.374 0.776 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2CCC[NH+]2C2CC2)CC[N@H+]1C ZINC000787390823 581469674 /nfs/dbraw/zinc/46/96/74/581469674.db2.gz NUIZRXLFIGHGKJ-AAEUAGOBSA-N 2 2 251.374 0.776 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC[NH+]1C ZINC000787390823 581469675 /nfs/dbraw/zinc/46/96/75/581469675.db2.gz NUIZRXLFIGHGKJ-AAEUAGOBSA-N 2 2 251.374 0.776 20 0 CCADLP C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC[NH+]1C ZINC000787390823 581469676 /nfs/dbraw/zinc/46/96/76/581469676.db2.gz NUIZRXLFIGHGKJ-AAEUAGOBSA-N 2 2 251.374 0.776 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3=COCC3)C2)CC1 ZINC000734127745 581547509 /nfs/dbraw/zinc/54/75/09/581547509.db2.gz ANGBJBHXAHNESH-ZDUSSCGKSA-N 2 2 279.384 0.575 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3=COCC3)C2)CC1 ZINC000734127745 581547511 /nfs/dbraw/zinc/54/75/11/581547511.db2.gz ANGBJBHXAHNESH-ZDUSSCGKSA-N 2 2 279.384 0.575 20 0 CCADLP CN(C)c1cc[nH+]c(N2CC[N@@H+]3CCOC[C@@H]3C2)n1 ZINC000754081807 581574586 /nfs/dbraw/zinc/57/45/86/581574586.db2.gz LHNOSKSSPNPMOE-NSHDSACASA-N 2 2 263.345 0.063 20 0 CCADLP CN(C)c1cc[nH+]c(N2CC[N@H+]3CCOC[C@@H]3C2)n1 ZINC000754081807 581574588 /nfs/dbraw/zinc/57/45/88/581574588.db2.gz LHNOSKSSPNPMOE-NSHDSACASA-N 2 2 263.345 0.063 20 0 CCADLP NC(=O)C[C@@H]([NH2+]CC[NH+]1CCCC1)C1CCOCC1 ZINC000754503570 581593623 /nfs/dbraw/zinc/59/36/23/581593623.db2.gz VPKGRMFGCHBLQG-CYBMUJFWSA-N 2 2 269.389 0.342 20 0 CCADLP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)[C@@H](C)C[N@@H+]1C ZINC000768849144 581659002 /nfs/dbraw/zinc/65/90/02/581659002.db2.gz PNTZYTSOHVKELV-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)[C@@H](C)C[N@H+]1C ZINC000768849144 581659005 /nfs/dbraw/zinc/65/90/05/581659005.db2.gz PNTZYTSOHVKELV-OLZOCXBDSA-N 2 2 269.389 0.260 20 0 CCADLP CON(C)C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000770003278 581722208 /nfs/dbraw/zinc/72/22/08/581722208.db2.gz NSRKLWZIYSOGTI-LLVKDONJSA-N 2 2 266.345 0.619 20 0 CCADLP CON(C)C(=O)C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000770003278 581722210 /nfs/dbraw/zinc/72/22/10/581722210.db2.gz NSRKLWZIYSOGTI-LLVKDONJSA-N 2 2 266.345 0.619 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCOCC2(CCC2)C1 ZINC000759918791 581831686 /nfs/dbraw/zinc/83/16/86/581831686.db2.gz VSFGAHXUZUTNKW-CQSZACIVSA-N 2 2 268.401 0.946 20 0 CCADLP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCOCC2(CCC2)C1 ZINC000759918791 581831688 /nfs/dbraw/zinc/83/16/88/581831688.db2.gz VSFGAHXUZUTNKW-CQSZACIVSA-N 2 2 268.401 0.946 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=S)NC3CC3)C2)CC1 ZINC000732721342 581844573 /nfs/dbraw/zinc/84/45/73/581844573.db2.gz QKVUSPKIVVFFLI-GFCCVEGCSA-N 2 2 282.457 0.781 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=S)NC3CC3)C2)CC1 ZINC000732721342 581844577 /nfs/dbraw/zinc/84/45/77/581844577.db2.gz QKVUSPKIVVFFLI-GFCCVEGCSA-N 2 2 282.457 0.781 20 0 CCADLP Cc1nnc([C@H]2CCC[N@H+](C[C@H](O)C[NH+]3CCCC3)C2)[nH]1 ZINC000760958091 581881317 /nfs/dbraw/zinc/88/13/17/581881317.db2.gz FJBPDAXJVXDTKR-UONOGXRCSA-N 2 2 293.415 0.749 20 0 CCADLP Cc1nnc([C@H]2CCC[N@@H+](C[C@H](O)C[NH+]3CCCC3)C2)[nH]1 ZINC000760958091 581881318 /nfs/dbraw/zinc/88/13/18/581881318.db2.gz FJBPDAXJVXDTKR-UONOGXRCSA-N 2 2 293.415 0.749 20 0 CCADLP Cc1n[nH]c([C@H]2CCC[N@H+](C[C@H](O)C[NH+]3CCCC3)C2)n1 ZINC000760958091 581881319 /nfs/dbraw/zinc/88/13/19/581881319.db2.gz FJBPDAXJVXDTKR-UONOGXRCSA-N 2 2 293.415 0.749 20 0 CCADLP Cc1n[nH]c([C@H]2CCC[N@@H+](C[C@H](O)C[NH+]3CCCC3)C2)n1 ZINC000760958091 581881320 /nfs/dbraw/zinc/88/13/20/581881320.db2.gz FJBPDAXJVXDTKR-UONOGXRCSA-N 2 2 293.415 0.749 20 0 CCADLP Cc1nonc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000746021886 581893226 /nfs/dbraw/zinc/89/32/26/581893226.db2.gz XLKNAQNESIVFTC-UHFFFAOYSA-N 2 2 295.387 0.476 20 0 CCADLP Cc1nonc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000746021886 581893227 /nfs/dbraw/zinc/89/32/27/581893227.db2.gz XLKNAQNESIVFTC-UHFFFAOYSA-N 2 2 295.387 0.476 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)OC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000774278923 581967996 /nfs/dbraw/zinc/96/79/96/581967996.db2.gz CPHPCUPVUWAEKG-OLZOCXBDSA-N 2 2 270.373 0.735 20 0 CCADLP C[C@H](C[NH+]1CCOCC1)OC(=O)[C@@H]1CCCC[N@H+]1C ZINC000774278923 581967997 /nfs/dbraw/zinc/96/79/97/581967997.db2.gz CPHPCUPVUWAEKG-OLZOCXBDSA-N 2 2 270.373 0.735 20 0 CCADLP C[NH+](C)C1CC[NH+](CCNC(=S)NC2CC2)CC1 ZINC000749005537 581994091 /nfs/dbraw/zinc/99/40/91/581994091.db2.gz NQDLDIJKYKRXTF-UHFFFAOYSA-N 2 2 270.446 0.639 20 0 CCADLP C[C@@H](C(=O)N1CC[N@H+](C)[C@H](C)C1)[NH+]1CCSCC1 ZINC000764402882 582044685 /nfs/dbraw/zinc/04/46/85/582044685.db2.gz SEKXWHDZHIDALZ-NEPJUHHUSA-N 2 2 271.430 0.586 20 0 CCADLP C[C@@H](C(=O)N1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCSCC1 ZINC000764402882 582044688 /nfs/dbraw/zinc/04/46/88/582044688.db2.gz SEKXWHDZHIDALZ-NEPJUHHUSA-N 2 2 271.430 0.586 20 0 CCADLP CC[N@@H+](Cc1cnn(C)c1)C[C@@H](O)C[NH+]1CCCC1 ZINC000750533160 582049665 /nfs/dbraw/zinc/04/96/65/582049665.db2.gz XBIBEACJWRPCGA-CQSZACIVSA-N 2 2 266.389 0.699 20 0 CCADLP CC[N@H+](Cc1cnn(C)c1)C[C@@H](O)C[NH+]1CCCC1 ZINC000750533160 582049667 /nfs/dbraw/zinc/04/96/67/582049667.db2.gz XBIBEACJWRPCGA-CQSZACIVSA-N 2 2 266.389 0.699 20 0 CCADLP CC[N@@H+](Cc1cnn(C)c1)C[C@H](O)C[NH+]1CCCC1 ZINC000750533159 582050106 /nfs/dbraw/zinc/05/01/06/582050106.db2.gz XBIBEACJWRPCGA-AWEZNQCLSA-N 2 2 266.389 0.699 20 0 CCADLP CC[N@H+](Cc1cnn(C)c1)C[C@H](O)C[NH+]1CCCC1 ZINC000750533159 582050108 /nfs/dbraw/zinc/05/01/08/582050108.db2.gz XBIBEACJWRPCGA-AWEZNQCLSA-N 2 2 266.389 0.699 20 0 CCADLP C[C@@H]([NH3+])C[N@H+](C)C[C@@H](O)COc1ccccc1F ZINC000923410189 617175232 /nfs/dbraw/zinc/17/52/32/617175232.db2.gz LCLQTBRTPLPQBA-GHMZBOCLSA-N 2 2 256.321 0.844 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+](C)C[C@@H](O)COc1ccccc1F ZINC000923410189 617175233 /nfs/dbraw/zinc/17/52/33/617175233.db2.gz LCLQTBRTPLPQBA-GHMZBOCLSA-N 2 2 256.321 0.844 20 0 CCADLP C[C@@H](NC(=O)/C=C\C[NH+]1CCOCC1)C1CC[NH2+]CC1 ZINC000877252871 617179996 /nfs/dbraw/zinc/17/99/96/617179996.db2.gz ZYMYTGFIDIJVFJ-XQJDBVBESA-N 2 2 281.400 0.379 20 0 CCADLP CSCCNC(=S)NCC[N@H+](C)CCC[NH+](C)C ZINC000849279688 617236626 /nfs/dbraw/zinc/23/66/26/617236626.db2.gz FHAKNZSXUXNAMU-UHFFFAOYSA-N 2 2 292.518 0.697 20 0 CCADLP CSCCNC(=S)NCC[N@@H+](C)CCC[NH+](C)C ZINC000849279688 617236627 /nfs/dbraw/zinc/23/66/27/617236627.db2.gz FHAKNZSXUXNAMU-UHFFFAOYSA-N 2 2 292.518 0.697 20 0 CCADLP COc1ccc(OC)c([C@@H](O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000916742071 617275814 /nfs/dbraw/zinc/27/58/14/617275814.db2.gz RANFLVMWEQBKGZ-ZOWXZIJZSA-N 2 2 292.379 0.888 20 0 CCADLP COc1ccc(OC)c([C@@H](O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000916742071 617275815 /nfs/dbraw/zinc/27/58/15/617275815.db2.gz RANFLVMWEQBKGZ-ZOWXZIJZSA-N 2 2 292.379 0.888 20 0 CCADLP COc1ccccc1[C@H](O)C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000853133661 617319817 /nfs/dbraw/zinc/31/98/17/617319817.db2.gz MOEIOSGIKJOLEE-UKRRQHHQSA-N 2 2 294.395 0.773 20 0 CCADLP COc1ccccc1[C@H](O)C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000853133661 617319818 /nfs/dbraw/zinc/31/98/18/617319818.db2.gz MOEIOSGIKJOLEE-UKRRQHHQSA-N 2 2 294.395 0.773 20 0 CCADLP C(=C\CN1CCn2cc[nH+]c21)\CN1CCn2cc[nH+]c21 ZINC000931517909 613223553 /nfs/dbraw/zinc/22/35/53/613223553.db2.gz AAPNGHUBPMIBSD-UPHRSURJSA-N 2 2 270.340 0.976 20 0 CCADLP C(C[NH2+][C@@H]1C[NH2+]CCOC1)COC1CCOCC1 ZINC000925581144 613225239 /nfs/dbraw/zinc/22/52/39/613225239.db2.gz PSHCABCYOXQHPK-GFCCVEGCSA-N 2 2 258.362 0.150 20 0 CCADLP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903872185 613226805 /nfs/dbraw/zinc/22/68/05/613226805.db2.gz WYOASWLPQBCBFG-KKUMJFAQSA-N 3 2 265.401 0.583 20 0 CCADLP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903872185 613226807 /nfs/dbraw/zinc/22/68/07/613226807.db2.gz WYOASWLPQBCBFG-KKUMJFAQSA-N 3 2 265.401 0.583 20 0 CCADLP C([NH2+][C@@H]1C[NH2+]CCOC1)[C@@H]1CCC12CCOCC2 ZINC000925732929 613228739 /nfs/dbraw/zinc/22/87/39/613228739.db2.gz HFJKAKJKSRPEMT-QWHCGFSZSA-N 2 2 254.374 0.771 20 0 CCADLP C([NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)[C@@H]1C[NH2+]CCO1 ZINC000841100548 613229917 /nfs/dbraw/zinc/22/99/17/613229917.db2.gz HJINVSOARPPYSZ-USZNOCQGSA-N 2 2 274.455 0.944 20 0 CCADLP C/C(=C/C(=O)N1CC[NH+](C(C)C)CC1)C[NH+]1CCOCC1 ZINC000900135614 613230259 /nfs/dbraw/zinc/23/02/59/613230259.db2.gz VVZOCUAPVOZLKE-QINSGFPZSA-N 2 2 295.427 0.818 20 0 CCADLP C/C(=C\C(=O)NCC[N@H+]1CC[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000900911813 613256234 /nfs/dbraw/zinc/25/62/34/613256234.db2.gz CMWAXCQZDBIKOO-XDPMZMSMSA-N 2 2 295.427 0.723 20 0 CCADLP C/C(=C\C(=O)NCC[N@@H+]1CC[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000900911813 613256238 /nfs/dbraw/zinc/25/62/38/613256238.db2.gz CMWAXCQZDBIKOO-XDPMZMSMSA-N 2 2 295.427 0.723 20 0 CCADLP C/C(=C\C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)C[NH+]1CCOCC1 ZINC000900372261 613258759 /nfs/dbraw/zinc/25/87/59/613258759.db2.gz RJMMSFIZBLXNFK-JWAFFJSPSA-N 2 2 293.411 0.618 20 0 CCADLP C/C(=C\C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)C[NH+]1CCOCC1 ZINC000900372261 613258761 /nfs/dbraw/zinc/25/87/61/613258761.db2.gz RJMMSFIZBLXNFK-JWAFFJSPSA-N 2 2 293.411 0.618 20 0 CCADLP CC(C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962293605 613902574 /nfs/dbraw/zinc/90/25/74/613902574.db2.gz PIQAJRJYASPDMP-IMRBUKKESA-N 2 2 262.357 0.417 20 0 CCADLP CC(C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC000962293605 613902575 /nfs/dbraw/zinc/90/25/75/613902575.db2.gz PIQAJRJYASPDMP-IMRBUKKESA-N 2 2 262.357 0.417 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](CCO[C@H]2CCOC2)CC1 ZINC000930613849 613939113 /nfs/dbraw/zinc/93/91/13/613939113.db2.gz PMCGJUVOTSBZCF-AWEZNQCLSA-N 2 2 286.416 0.617 20 0 CCADLP CC(C)(C)N1C[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CC1=O ZINC000925571226 613946545 /nfs/dbraw/zinc/94/65/45/613946545.db2.gz BKEGPDGUZXJFPB-HJFKDUGFSA-N 2 2 277.412 0.972 20 0 CCADLP CC(C)[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC000970609083 613969440 /nfs/dbraw/zinc/96/94/40/613969440.db2.gz CAXAGPUTKVCDRE-GFCCVEGCSA-N 2 2 264.373 0.952 20 0 CCADLP CC(C)[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC000939210168 613981988 /nfs/dbraw/zinc/98/19/88/613981988.db2.gz LRTNBERMTGMBPQ-PWSUYJOCSA-N 2 2 250.346 0.797 20 0 CCADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000043708257 614021661 /nfs/dbraw/zinc/02/16/61/614021661.db2.gz FHTAPXWQLCSRGO-NWDGAFQWSA-N 2 2 280.372 0.402 20 0 CCADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000844171363 614021721 /nfs/dbraw/zinc/02/17/21/614021721.db2.gz ZODKYRDFFPYTIH-XQHKEYJVSA-N 2 2 276.384 0.879 20 0 CCADLP CC(C)(C[NH+]1CCOCC1)NC(=O)C[NH+]1CCCC1 ZINC000823594786 614090549 /nfs/dbraw/zinc/09/05/49/614090549.db2.gz XTUVULFVLGOGMG-UHFFFAOYSA-N 2 2 269.389 0.309 20 0 CCADLP CC(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000961893169 614129419 /nfs/dbraw/zinc/12/94/19/614129419.db2.gz YTXJPXIDBNVCRY-IMRBUKKESA-N 2 2 262.357 0.655 20 0 CCADLP CC(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC000961893169 614129421 /nfs/dbraw/zinc/12/94/21/614129421.db2.gz YTXJPXIDBNVCRY-IMRBUKKESA-N 2 2 262.357 0.655 20 0 CCADLP CC(C)[C@@H](O)C[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000880252729 614146408 /nfs/dbraw/zinc/14/64/08/614146408.db2.gz BRIVNNRUTUKCBL-AWEZNQCLSA-N 2 2 297.443 0.809 20 0 CCADLP CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000911814316 614189213 /nfs/dbraw/zinc/18/92/13/614189213.db2.gz RHILJNVZHCVVSL-NEPJUHHUSA-N 2 2 264.373 0.935 20 0 CCADLP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000886592892 614200564 /nfs/dbraw/zinc/20/05/64/614200564.db2.gz DHTXAZXNEFSVHE-OAHLLOKOSA-N 2 2 297.443 0.897 20 0 CCADLP CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000886592892 614200566 /nfs/dbraw/zinc/20/05/66/614200566.db2.gz DHTXAZXNEFSVHE-OAHLLOKOSA-N 2 2 297.443 0.897 20 0 CCADLP CC(C)[C@H](CNC(=O)NC[C@H]1CC[N@@H+]1C)[NH+]1CCOCC1 ZINC000913992665 614209127 /nfs/dbraw/zinc/20/91/27/614209127.db2.gz FWZDJPCNZMFWGJ-KGLIPLIRSA-N 2 2 298.431 0.347 20 0 CCADLP CC(C)[C@H](CNC(=O)NC[C@H]1CC[N@H+]1C)[NH+]1CCOCC1 ZINC000913992665 614209128 /nfs/dbraw/zinc/20/91/28/614209128.db2.gz FWZDJPCNZMFWGJ-KGLIPLIRSA-N 2 2 298.431 0.347 20 0 CCADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852443626 614263783 /nfs/dbraw/zinc/26/37/83/614263783.db2.gz PSQDEVGJVDRLJA-OLZOCXBDSA-N 2 2 285.388 0.214 20 0 CCADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852443626 614263785 /nfs/dbraw/zinc/26/37/85/614263785.db2.gz PSQDEVGJVDRLJA-OLZOCXBDSA-N 2 2 285.388 0.214 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852443626 614263787 /nfs/dbraw/zinc/26/37/87/614263787.db2.gz PSQDEVGJVDRLJA-OLZOCXBDSA-N 2 2 285.388 0.214 20 0 CCADLP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852443626 614263788 /nfs/dbraw/zinc/26/37/88/614263788.db2.gz PSQDEVGJVDRLJA-OLZOCXBDSA-N 2 2 285.388 0.214 20 0 CCADLP CC(C)=CC[NH+]1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000951754598 614295715 /nfs/dbraw/zinc/29/57/15/614295715.db2.gz LOMLVWXPKMRFNK-UHFFFAOYSA-N 2 2 295.427 0.819 20 0 CCADLP CC(C)(C(N)=O)[NH+]1CCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904324502 614313122 /nfs/dbraw/zinc/31/31/22/614313122.db2.gz ITAWPOPCZSZFJK-OAHLLOKOSA-N 2 2 282.432 0.258 20 0 CCADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000821386525 614345727 /nfs/dbraw/zinc/34/57/27/614345727.db2.gz UBSZNDZCEDGKPV-DGCLKSJQSA-N 2 2 262.357 0.797 20 0 CCADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1Cc2c[nH+]cn2C1 ZINC000821386525 614345730 /nfs/dbraw/zinc/34/57/30/614345730.db2.gz UBSZNDZCEDGKPV-DGCLKSJQSA-N 2 2 262.357 0.797 20 0 CCADLP CCCCOC[C@H](O)CN1C[C@@H](c2c[nH+]cn2C)[C@H]([NH3+])C1 ZINC000923419282 614453069 /nfs/dbraw/zinc/45/30/69/614453069.db2.gz FVZXCDHQFDGMKW-MGPQQGTHSA-N 2 2 296.415 0.324 20 0 CCADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000866186244 614521675 /nfs/dbraw/zinc/52/16/75/614521675.db2.gz FGKYXMHXGLSXRL-DGCLKSJQSA-N 2 2 280.372 0.633 20 0 CCADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](O)c2c[nH+]c[nH]2)C1 ZINC000866186244 614521679 /nfs/dbraw/zinc/52/16/79/614521679.db2.gz FGKYXMHXGLSXRL-DGCLKSJQSA-N 2 2 280.372 0.633 20 0 CCADLP CCCn1cc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)cn1 ZINC000926048598 614536609 /nfs/dbraw/zinc/53/66/09/614536609.db2.gz JPKKMMQSBQQIBX-UHFFFAOYSA-N 2 2 294.403 0.838 20 0 CCADLP CCN(C(=O)C12CCC[NH+]1CCC2)C1C[NH+](CCCO)C1 ZINC000950727793 614564611 /nfs/dbraw/zinc/56/46/11/614564611.db2.gz RINUVCUTUICZCK-UHFFFAOYSA-N 2 2 295.427 0.530 20 0 CCADLP CCC([NH3+])(CC)C[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903917988 614587525 /nfs/dbraw/zinc/58/75/25/614587525.db2.gz PPJWDXQGOXXSEF-GFCCVEGCSA-N 3 2 280.420 0.810 20 0 CCADLP CCN(C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000891517929 614604942 /nfs/dbraw/zinc/60/49/42/614604942.db2.gz NCWGLFRKOYGYQI-MCIONIFRSA-N 2 2 298.431 0.489 20 0 CCADLP CC1(C)CNC(=O)[C@@H]1[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000925172249 614691673 /nfs/dbraw/zinc/69/16/73/614691673.db2.gz RWIURAAFBGSGHL-QWRGUYRKSA-N 2 2 262.357 0.875 20 0 CCADLP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C1 ZINC000902393282 614703346 /nfs/dbraw/zinc/70/33/46/614703346.db2.gz OSCDUZHLZKQJKG-STQMWFEESA-N 3 2 255.406 0.733 20 0 CCADLP CCC1([NH+]2CCC2)CC[NH+](C[C@@](C)(O)C(=O)OC)CC1 ZINC000886716159 614705727 /nfs/dbraw/zinc/70/57/27/614705727.db2.gz PXUZREXTVVKNJV-CQSZACIVSA-N 2 2 284.400 0.861 20 0 CCADLP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@H](O)[C@H](C)O)CC1 ZINC000931329883 614705901 /nfs/dbraw/zinc/70/59/01/614705901.db2.gz YZQUPUDTPLRKHS-UONOGXRCSA-N 2 2 286.416 0.305 20 0 CCADLP CC1([NH+]2CCC2)CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC000880474486 614912146 /nfs/dbraw/zinc/91/21/46/614912146.db2.gz IGJZSQRHZIBGCM-LBPRGKRZSA-N 2 2 251.374 0.825 20 0 CCADLP CCN(CC)C(=O)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000848527276 614977381 /nfs/dbraw/zinc/97/73/81/614977381.db2.gz XRZQQRCMRHIIRE-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP CC[N@H+](CC[NH3+])Cc1ccc(OCC(N)=O)cc1 ZINC000302475343 615047090 /nfs/dbraw/zinc/04/70/90/615047090.db2.gz QKUXVATXGCHUBX-UHFFFAOYSA-N 2 2 251.330 0.331 20 0 CCADLP CC[N@@H+](CC[NH3+])Cc1ccc(OCC(N)=O)cc1 ZINC000302475343 615047091 /nfs/dbraw/zinc/04/70/91/615047091.db2.gz QKUXVATXGCHUBX-UHFFFAOYSA-N 2 2 251.330 0.331 20 0 CCADLP CCNC(=O)CN1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903732177 615047595 /nfs/dbraw/zinc/04/75/95/615047595.db2.gz CVJGSYGTYIPUAT-CQSZACIVSA-N 2 2 282.432 0.130 20 0 CCADLP CC[NH2+]C1CC2(CC(NC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC000965587659 615074022 /nfs/dbraw/zinc/07/40/22/615074022.db2.gz FOXZCCYOZPESHQ-UHFFFAOYSA-N 2 2 262.357 0.989 20 0 CCADLP CCN1C(=O)CN(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)C1=O ZINC000129249780 615078753 /nfs/dbraw/zinc/07/87/53/615078753.db2.gz BNXNXTLDJQNKEN-STQMWFEESA-N 2 2 294.399 0.644 20 0 CCADLP CCN1C(=O)CN(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)C1=O ZINC000129249780 615078755 /nfs/dbraw/zinc/07/87/55/615078755.db2.gz BNXNXTLDJQNKEN-STQMWFEESA-N 2 2 294.399 0.644 20 0 CCADLP CCN1C(=O)CN(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)C1=O ZINC000129249780 615078757 /nfs/dbraw/zinc/07/87/57/615078757.db2.gz BNXNXTLDJQNKEN-STQMWFEESA-N 2 2 294.399 0.644 20 0 CCADLP CCN1C(=O)CN(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)C1=O ZINC000129249780 615078759 /nfs/dbraw/zinc/07/87/59/615078759.db2.gz BNXNXTLDJQNKEN-STQMWFEESA-N 2 2 294.399 0.644 20 0 CCADLP CCN(C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)C1C[NH+](CC)C1 ZINC000950924720 615082793 /nfs/dbraw/zinc/08/27/93/615082793.db2.gz ZHDQBECXEVBTOP-CXOJTPOUSA-N 2 2 293.411 0.402 20 0 CCADLP CCN(C(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)C1C[NH+](CC)C1 ZINC000950924720 615082795 /nfs/dbraw/zinc/08/27/95/615082795.db2.gz ZHDQBECXEVBTOP-CXOJTPOUSA-N 2 2 293.411 0.402 20 0 CCADLP CC[NH2+]C[C@H]1C[C@@H](C)N(C(=O)Cc2c[nH+]cn2C)C1 ZINC000980764796 615099028 /nfs/dbraw/zinc/09/90/28/615099028.db2.gz ZASVJVVAZOSCMN-VXGBXAGGSA-N 2 2 264.373 0.809 20 0 CCADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccnn2C)CC1 ZINC000879683984 615152437 /nfs/dbraw/zinc/15/24/37/615152437.db2.gz DCEQCNKAWOAZIO-STQMWFEESA-N 2 2 293.415 0.623 20 0 CCADLP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CC[NH2+]C2(C)C)CC1 ZINC000925545588 615161956 /nfs/dbraw/zinc/16/19/56/615161956.db2.gz BAKLPRRHFOTFGG-KBPBESRZSA-N 3 2 268.449 0.743 20 0 CCADLP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925549374 615162811 /nfs/dbraw/zinc/16/28/11/615162811.db2.gz XZBVGKOPQGYUOC-CABCVRRESA-N 3 2 280.460 0.887 20 0 CCADLP CC[N@@H+]1CCO[C@H](C(=O)N2CC[NH+](C)[C@H](C(C)(C)C)C2)C1 ZINC000880612456 615181268 /nfs/dbraw/zinc/18/12/68/615181268.db2.gz IAXYWGCBGLLQCH-KBPBESRZSA-N 2 2 297.443 0.896 20 0 CCADLP CC[N@H+]1CCO[C@H](C(=O)N2CC[NH+](C)[C@H](C(C)(C)C)C2)C1 ZINC000880612456 615181270 /nfs/dbraw/zinc/18/12/70/615181270.db2.gz IAXYWGCBGLLQCH-KBPBESRZSA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@H+](C)[C@H](C(C)(C)C)C2)C1 ZINC000880612456 615181273 /nfs/dbraw/zinc/18/12/73/615181273.db2.gz IAXYWGCBGLLQCH-KBPBESRZSA-N 2 2 297.443 0.896 20 0 CCADLP CC[NH+]1CCO[C@H](C(=O)N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)C1 ZINC000880612456 615181274 /nfs/dbraw/zinc/18/12/74/615181274.db2.gz IAXYWGCBGLLQCH-KBPBESRZSA-N 2 2 297.443 0.896 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872151505 615245856 /nfs/dbraw/zinc/24/58/56/615245856.db2.gz DKQFABUAPOPWMF-KCQAQPDRSA-N 2 2 283.416 0.459 20 0 CCADLP CCOCCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872151505 615245858 /nfs/dbraw/zinc/24/58/58/615245858.db2.gz DKQFABUAPOPWMF-KCQAQPDRSA-N 2 2 283.416 0.459 20 0 CCADLP CC[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000883144356 615252168 /nfs/dbraw/zinc/25/21/68/615252168.db2.gz MJOBIDFNBPPFPE-NWDGAFQWSA-N 2 2 265.361 0.665 20 0 CCADLP CC[N@H+]1CC[C@@H]1CNC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000883144356 615252170 /nfs/dbraw/zinc/25/21/70/615252170.db2.gz MJOBIDFNBPPFPE-NWDGAFQWSA-N 2 2 265.361 0.665 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000900650267 615252192 /nfs/dbraw/zinc/25/21/92/615252192.db2.gz FQHRVPJQBBFCTJ-UHFFFAOYSA-N 2 2 281.400 0.263 20 0 CCADLP CCOCC[NH+]1CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000870884869 615254059 /nfs/dbraw/zinc/25/40/59/615254059.db2.gz FIWPSRKPILLIKB-IPYPFGDCSA-N 2 2 281.400 0.295 20 0 CCADLP CC[N@@H+]1CC[C@H]1CNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000890061987 615312847 /nfs/dbraw/zinc/31/28/47/615312847.db2.gz MZZJLBZQVUTPHT-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP CC[N@H+]1CC[C@H]1CNC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000890061987 615312850 /nfs/dbraw/zinc/31/28/50/615312850.db2.gz MZZJLBZQVUTPHT-KBPBESRZSA-N 2 2 298.431 0.443 20 0 CCADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923326162 615328503 /nfs/dbraw/zinc/32/85/03/615328503.db2.gz IIOSGSXFWFFDRR-ILXRZTDVSA-N 3 2 279.428 0.924 20 0 CCADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923326162 615328507 /nfs/dbraw/zinc/32/85/07/615328507.db2.gz IIOSGSXFWFFDRR-ILXRZTDVSA-N 3 2 279.428 0.924 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923326162 615328509 /nfs/dbraw/zinc/32/85/09/615328509.db2.gz IIOSGSXFWFFDRR-ILXRZTDVSA-N 3 2 279.428 0.924 20 0 CCADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923326162 615328512 /nfs/dbraw/zinc/32/85/12/615328512.db2.gz IIOSGSXFWFFDRR-ILXRZTDVSA-N 3 2 279.428 0.924 20 0 CCADLP CCS(=O)(=O)NCCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879577886 615344234 /nfs/dbraw/zinc/34/42/34/615344234.db2.gz NRKKDADXDPFJDN-CHWSQXEVSA-N 2 2 289.445 0.342 20 0 CCADLP CCS(=O)(=O)NCCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879577886 615344237 /nfs/dbraw/zinc/34/42/37/615344237.db2.gz NRKKDADXDPFJDN-CHWSQXEVSA-N 2 2 289.445 0.342 20 0 CCADLP CCS(=O)(=O)NCCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879577886 615344238 /nfs/dbraw/zinc/34/42/38/615344238.db2.gz NRKKDADXDPFJDN-CHWSQXEVSA-N 2 2 289.445 0.342 20 0 CCADLP CCS(=O)(=O)NCCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879577886 615344241 /nfs/dbraw/zinc/34/42/41/615344241.db2.gz NRKKDADXDPFJDN-CHWSQXEVSA-N 2 2 289.445 0.342 20 0 CCADLP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)[C@H]1OC ZINC000893706582 615436446 /nfs/dbraw/zinc/43/64/46/615436446.db2.gz ILNIYAZGFUOVMJ-FMCLSXCISA-N 2 2 265.357 0.980 20 0 CCADLP CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000961821195 615438917 /nfs/dbraw/zinc/43/89/17/615438917.db2.gz CDRFFNDFQHRFNQ-SSKLVLDBSA-N 2 2 274.368 0.590 20 0 CCADLP CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000961821195 615438919 /nfs/dbraw/zinc/43/89/19/615438919.db2.gz CDRFFNDFQHRFNQ-SSKLVLDBSA-N 2 2 274.368 0.590 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[N@@H+]1CCOC[C@H]1CC ZINC000877435256 615468236 /nfs/dbraw/zinc/46/82/36/615468236.db2.gz ZOQZBLHHKINFKW-UPJWGTAASA-N 2 2 271.405 0.587 20 0 CCADLP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC[N@H+]1CCOC[C@H]1CC ZINC000877435256 615468237 /nfs/dbraw/zinc/46/82/37/615468237.db2.gz ZOQZBLHHKINFKW-UPJWGTAASA-N 2 2 271.405 0.587 20 0 CCADLP CC[C@@H](C[NH+]1CCCC1)NC(=O)/C=C/C[NH+]1CCOCC1 ZINC000865907544 615474083 /nfs/dbraw/zinc/47/40/83/615474083.db2.gz TUAZLGUAEAFIJB-NFAHFFEMSA-N 2 2 295.427 0.865 20 0 CCADLP CC[C@@H](C[NH+]1CCOCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC000928646599 615476823 /nfs/dbraw/zinc/47/68/23/615476823.db2.gz CJJQNLNHZSTVLJ-ZDUSSCGKSA-N 2 2 281.400 0.309 20 0 CCADLP CCO[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH+](C)C ZINC000831718309 615481056 /nfs/dbraw/zinc/48/10/56/615481056.db2.gz KHCNMXUECMMIPW-SNVBAGLBSA-N 2 2 254.334 0.035 20 0 CCADLP CCO[C@H](CNc1cc(NC[C@@H](C)O)[nH+]cn1)C[NH+](C)C ZINC000896118922 615484613 /nfs/dbraw/zinc/48/46/13/615484613.db2.gz XZGUZBPKOUTNHC-VXGBXAGGSA-N 2 2 297.403 0.648 20 0 CCADLP CCO[C@H](CNc1cc(NC[C@@H](C)O)nc[nH+]1)C[NH+](C)C ZINC000896118922 615484614 /nfs/dbraw/zinc/48/46/14/615484614.db2.gz XZGUZBPKOUTNHC-VXGBXAGGSA-N 2 2 297.403 0.648 20 0 CCADLP CC[C@@H](CO)[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000929526271 615488951 /nfs/dbraw/zinc/48/89/51/615488951.db2.gz LYLKDIAPNDZRQZ-LBPRGKRZSA-N 2 2 265.357 0.983 20 0 CCADLP CC[C@@H](CO)Nc1cc(NC[C@](C)(O)C[NH+](C)C)[nH+]cn1 ZINC000892955267 615491971 /nfs/dbraw/zinc/49/19/71/615491971.db2.gz IAVWAOWCNXBXKO-FZMZJTMJSA-N 2 2 297.403 0.384 20 0 CCADLP CC[C@@H](CO)Nc1cc(NC[C@](C)(O)C[NH+](C)C)nc[nH+]1 ZINC000892955267 615491973 /nfs/dbraw/zinc/49/19/73/615491973.db2.gz IAVWAOWCNXBXKO-FZMZJTMJSA-N 2 2 297.403 0.384 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923316152 615540873 /nfs/dbraw/zinc/54/08/73/615540873.db2.gz SRJPTHGBJQEKBL-NWDGAFQWSA-N 2 2 290.429 0.120 20 0 CCADLP CCS(=O)(=O)C[C@H](C)[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923316152 615540874 /nfs/dbraw/zinc/54/08/74/615540874.db2.gz SRJPTHGBJQEKBL-NWDGAFQWSA-N 2 2 290.429 0.120 20 0 CCADLP CC[C@@](C)(O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932621034 615591708 /nfs/dbraw/zinc/59/17/08/615591708.db2.gz FANDEEWYLMMACK-SWLSCSKDSA-N 2 2 283.416 0.432 20 0 CCADLP CC[C@@](C)(O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932621034 615591709 /nfs/dbraw/zinc/59/17/09/615591709.db2.gz FANDEEWYLMMACK-SWLSCSKDSA-N 2 2 283.416 0.432 20 0 CCADLP CC[C@H](C(=O)N1CC[NH+](CCn2cccn2)CC1)[NH+](C)C ZINC000957358608 615601068 /nfs/dbraw/zinc/60/10/68/615601068.db2.gz BIZOPVOSEHASHX-CQSZACIVSA-N 2 2 293.415 0.368 20 0 CCADLP CCc1cc(C[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)[nH]n1 ZINC000817893777 615650658 /nfs/dbraw/zinc/65/06/58/615650658.db2.gz VPISPPREUJTTOS-GWCFXTLKSA-N 2 2 252.362 0.829 20 0 CCADLP CCc1ncc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)o1 ZINC000923351820 615773190 /nfs/dbraw/zinc/77/31/90/615773190.db2.gz CBKNIDHTRJMNTG-LBPRGKRZSA-N 2 2 264.373 0.717 20 0 CCADLP CC[C@H]([NH2+]C[C@@H](O)c1ccnn1C)[C@@H]1CCC[NH2+]1 ZINC000925889531 615818474 /nfs/dbraw/zinc/81/84/74/615818474.db2.gz KLZXBXRWUBZSAQ-GMXVVIOVSA-N 2 2 252.362 0.574 20 0 CCADLP C[NH+](C)C1(C)CC[NH+](C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC000931353698 615846005 /nfs/dbraw/zinc/84/60/05/615846005.db2.gz GPESKKCASUVCKQ-DZGCQCFKSA-N 2 2 286.416 0.305 20 0 CCADLP C[NH+](C)CC(=O)NC(C)(C)CC[NH+]1CCOCC1 ZINC000912951915 615864781 /nfs/dbraw/zinc/86/47/81/615864781.db2.gz FOVCHAFUIIZSRZ-UHFFFAOYSA-N 2 2 257.378 0.165 20 0 CCADLP C[NH+](C)CC1(O)CC[NH+](CC(=O)Nc2ccccn2)CC1 ZINC000931479783 615872719 /nfs/dbraw/zinc/87/27/19/615872719.db2.gz BLJZORQCRRKLSF-UHFFFAOYSA-N 2 2 292.383 0.409 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)/C=C/[C@@H]1CCCO1 ZINC000855417766 615878865 /nfs/dbraw/zinc/87/88/65/615878865.db2.gz OOLOUDJNVLDEGZ-NPQIQWPPSA-N 2 2 283.416 0.721 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)/C=C/[C@@H]1CCCO1 ZINC000855417766 615878868 /nfs/dbraw/zinc/87/88/68/615878868.db2.gz OOLOUDJNVLDEGZ-NPQIQWPPSA-N 2 2 283.416 0.721 20 0 CCADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NOCC1CC1 ZINC000854091215 615879132 /nfs/dbraw/zinc/87/91/32/615879132.db2.gz ZDTPLABUJWYMAR-UHFFFAOYSA-N 2 2 272.393 0.511 20 0 CCADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NOCC1CC1 ZINC000854091215 615879134 /nfs/dbraw/zinc/87/91/34/615879134.db2.gz ZDTPLABUJWYMAR-UHFFFAOYSA-N 2 2 272.393 0.511 20 0 CCADLP C[NH+](C)CCC[C@H]1C[N@H+](CC[S@@](C)=O)CCO1 ZINC000852760717 615888839 /nfs/dbraw/zinc/88/88/39/615888839.db2.gz MJJOBTCGQISGBM-YVEFUNNKSA-N 2 2 262.419 0.408 20 0 CCADLP C[NH+](C)CCC[C@H]1C[N@@H+](CC[S@@](C)=O)CCO1 ZINC000852760717 615888841 /nfs/dbraw/zinc/88/88/41/615888841.db2.gz MJJOBTCGQISGBM-YVEFUNNKSA-N 2 2 262.419 0.408 20 0 CCADLP C[NH+](C)CCN1CC[N@H+](C[C@H]2CCC3(CCC3)O2)CC1=O ZINC000878802318 615899466 /nfs/dbraw/zinc/89/94/66/615899466.db2.gz DXWSOYYCJLEOSA-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP C[NH+](C)CCN1CC[N@@H+](C[C@H]2CCC3(CCC3)O2)CC1=O ZINC000878802318 615899467 /nfs/dbraw/zinc/89/94/67/615899467.db2.gz DXWSOYYCJLEOSA-CQSZACIVSA-N 2 2 295.427 0.794 20 0 CCADLP CC[C@@H](C(=O)NCCC[NH2+]C)[N@@H+]1CCO[C@@H](CC)C1 ZINC000911675776 615917815 /nfs/dbraw/zinc/91/78/15/615917815.db2.gz FRHPUEUYSYSEQV-STQMWFEESA-N 2 2 271.405 0.602 20 0 CCADLP CC[C@@H](C(=O)NCCC[NH2+]C)[N@H+]1CCO[C@@H](CC)C1 ZINC000911675776 615917817 /nfs/dbraw/zinc/91/78/17/615917817.db2.gz FRHPUEUYSYSEQV-STQMWFEESA-N 2 2 271.405 0.602 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)C[NH+](CC)C1CC1 ZINC000874705499 615922997 /nfs/dbraw/zinc/92/29/97/615922997.db2.gz WIZGGLSRGYNFGV-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)C[NH+](CC)C1CC1 ZINC000874705499 615922999 /nfs/dbraw/zinc/92/29/99/615922999.db2.gz WIZGGLSRGYNFGV-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@H]1COCC[NH+]1CCNC(=O)C[N@H+](CC)C1CC1 ZINC000874705499 615923002 /nfs/dbraw/zinc/92/30/02/615923002.db2.gz WIZGGLSRGYNFGV-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@H]1COCC[NH+]1CCNC(=O)C[N@@H+](CC)C1CC1 ZINC000874705499 615923006 /nfs/dbraw/zinc/92/30/06/615923006.db2.gz WIZGGLSRGYNFGV-ZDUSSCGKSA-N 2 2 283.416 0.698 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000877432417 615926208 /nfs/dbraw/zinc/92/62/08/615926208.db2.gz DGGZDEALHLSGQA-YPMHNXCESA-N 2 2 269.389 0.354 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000877432417 615926211 /nfs/dbraw/zinc/92/62/11/615926211.db2.gz DGGZDEALHLSGQA-YPMHNXCESA-N 2 2 269.389 0.354 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000874703481 615927049 /nfs/dbraw/zinc/92/70/49/615927049.db2.gz VJMNGRVODJATAU-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000874703481 615927051 /nfs/dbraw/zinc/92/70/51/615927051.db2.gz VJMNGRVODJATAU-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP CC[C@H]1COCC[NH+]1CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000874703481 615927053 /nfs/dbraw/zinc/92/70/53/615927053.db2.gz VJMNGRVODJATAU-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP CC[C@H]1COCC[NH+]1CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000874703481 615927055 /nfs/dbraw/zinc/92/70/55/615927055.db2.gz VJMNGRVODJATAU-OLZOCXBDSA-N 2 2 269.389 0.165 20 0 CCADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000877433581 615927127 /nfs/dbraw/zinc/92/71/27/615927127.db2.gz XKHROBUYROQKQJ-JSGCOSHPSA-N 2 2 269.389 0.213 20 0 CCADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000877433581 615927131 /nfs/dbraw/zinc/92/71/31/615927131.db2.gz XKHROBUYROQKQJ-JSGCOSHPSA-N 2 2 269.389 0.213 20 0 CCADLP C[NH+](C)C[C@@H]1NC(=O)N(CCCCn2cc[nH+]c2)C1=O ZINC000924504552 615932028 /nfs/dbraw/zinc/93/20/28/615932028.db2.gz GRGMBLGSXRQPJU-NSHDSACASA-N 2 2 279.344 0.145 20 0 CCADLP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000876730686 615939957 /nfs/dbraw/zinc/93/99/57/615939957.db2.gz KPNDIZSNTTVCFS-MNOVXSKESA-N 2 2 265.361 0.005 20 0 CCADLP C[NH+](C)C[C@H](N)C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000876730687 615940268 /nfs/dbraw/zinc/94/02/68/615940268.db2.gz KPNDIZSNTTVCFS-QWRGUYRKSA-N 2 2 265.361 0.005 20 0 CCADLP C[NH+](C)C[C@H]1NC(=O)N(CCCNc2cccc[nH+]2)C1=O ZINC000924484920 615948477 /nfs/dbraw/zinc/94/84/77/615948477.db2.gz DBAVNHUGDBNTOI-LLVKDONJSA-N 2 2 291.355 0.366 20 0 CCADLP Cn1nc2c(c1C[NH2+]C[C@@](C)(O)C[NH+](C)C)CCC2 ZINC000921931010 615951588 /nfs/dbraw/zinc/95/15/88/615951588.db2.gz YCYRPXZUNGXBSF-CQSZACIVSA-N 2 2 266.389 0.311 20 0 CCADLP Cn1ncc2cc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)cnc21 ZINC000865507842 615951599 /nfs/dbraw/zinc/95/15/99/615951599.db2.gz JGZSGTZNSXDKKZ-CQSZACIVSA-N 2 2 277.372 0.371 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@](C)(O)C(F)F)C1 ZINC000886273872 615952573 /nfs/dbraw/zinc/95/25/73/615952573.db2.gz IENUYQHYEBYKSD-NWDGAFQWSA-N 2 2 266.332 0.391 20 0 CCADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@](C)(O)C(F)F)C1 ZINC000886273872 615952574 /nfs/dbraw/zinc/95/25/74/615952574.db2.gz IENUYQHYEBYKSD-NWDGAFQWSA-N 2 2 266.332 0.391 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+]([C@@H]3C[C@@H]4CCCC[C@@H]4NC3=O)C[C@H]21 ZINC000931277713 615999099 /nfs/dbraw/zinc/99/90/99/615999099.db2.gz NMZSOFCWNUVZPN-XDSHMYFISA-N 2 2 277.412 0.926 20 0 CCADLP C[NH+](C)[C@@H]1[C@H]2C[N@H+]([C@@H]3C[C@@H]4CCCC[C@@H]4NC3=O)C[C@H]21 ZINC000931277713 615999101 /nfs/dbraw/zinc/99/91/01/615999101.db2.gz NMZSOFCWNUVZPN-XDSHMYFISA-N 2 2 277.412 0.926 20 0 CCADLP CN(C)c1cc[nH+]c(NCCN2CC[N@H+](C)C(C)(C)C2)n1 ZINC000799325745 616030160 /nfs/dbraw/zinc/03/01/60/616030160.db2.gz KIROAJXTTJTVCD-UHFFFAOYSA-N 2 2 292.431 0.981 20 0 CCADLP C[N@H+](CC(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1)C1CCC1 ZINC000968926355 616045060 /nfs/dbraw/zinc/04/50/60/616045060.db2.gz CFZKRPADWTZLCI-LLVKDONJSA-N 2 2 293.371 0.244 20 0 CCADLP C[N@@H+](CC(=O)N1CC[C@@H]([NH2+]Cc2cnon2)C1)C1CCC1 ZINC000968926355 616045061 /nfs/dbraw/zinc/04/50/61/616045061.db2.gz CFZKRPADWTZLCI-LLVKDONJSA-N 2 2 293.371 0.244 20 0 CCADLP C[N@H+](CC(=O)NCc1ccccn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000844220972 616047993 /nfs/dbraw/zinc/04/79/93/616047993.db2.gz FIXWWEXDESXWBL-NNQSOWQGSA-N 2 2 288.395 0.913 20 0 CCADLP C[N@@H+](CC(=O)NCc1ccccn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000844220972 616047994 /nfs/dbraw/zinc/04/79/94/616047994.db2.gz FIXWWEXDESXWBL-NNQSOWQGSA-N 2 2 288.395 0.913 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843490812 616076460 /nfs/dbraw/zinc/07/64/60/616076460.db2.gz CPDUCXDEILUVNS-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP CN(CCCn1cc[nH+]c1)C(=O)C[NH+]1CCCC1 ZINC000821042372 616076477 /nfs/dbraw/zinc/07/64/77/616076477.db2.gz FVIVEJMVDDQRJM-UHFFFAOYSA-N 2 2 250.346 0.827 20 0 CCADLP C[N@H+](CCO)CCNc1cc(NCC2CC2)[nH+]cn1 ZINC000884824852 616108273 /nfs/dbraw/zinc/10/82/73/616108273.db2.gz SDUGJOFCLNTHEK-UHFFFAOYSA-N 2 2 265.361 0.635 20 0 CCADLP C[N@@H+](CCO)CCNc1cc(NCC2CC2)[nH+]cn1 ZINC000884824852 616108274 /nfs/dbraw/zinc/10/82/74/616108274.db2.gz SDUGJOFCLNTHEK-UHFFFAOYSA-N 2 2 265.361 0.635 20 0 CCADLP C[N@H+](C[C@@H](O)C[NH2+]C[C@H]1CN(C2CC2)C(=O)O1)C1CC1 ZINC000848679073 616131969 /nfs/dbraw/zinc/13/19/69/616131969.db2.gz QVRCGAJUQXRPRK-STQMWFEESA-N 2 2 283.372 0.014 20 0 CCADLP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H]1CN(C2CC2)C(=O)O1)C1CC1 ZINC000848679073 616131971 /nfs/dbraw/zinc/13/19/71/616131971.db2.gz QVRCGAJUQXRPRK-STQMWFEESA-N 2 2 283.372 0.014 20 0 CCADLP C[N@H+](C[C@H](O)C[NH2+]CCOC1CCSCC1)C1CC1 ZINC000905707076 616149447 /nfs/dbraw/zinc/14/94/47/616149447.db2.gz XNCLQZVAOJQFNS-CYBMUJFWSA-N 2 2 288.457 0.943 20 0 CCADLP C[N@@H+](C[C@H](O)C[NH2+]CCOC1CCSCC1)C1CC1 ZINC000905707076 616149448 /nfs/dbraw/zinc/14/94/48/616149448.db2.gz XNCLQZVAOJQFNS-CYBMUJFWSA-N 2 2 288.457 0.943 20 0 CCADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]([NH3+])CC3CC3)C2)CC1 ZINC000884220784 616172498 /nfs/dbraw/zinc/17/24/98/616172498.db2.gz BXBIIEKCWXTRKB-UKRRQHHQSA-N 3 2 294.443 0.399 20 0 CCADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]([NH3+])CC3CC3)C2)CC1 ZINC000884220784 616172499 /nfs/dbraw/zinc/17/24/99/616172499.db2.gz BXBIIEKCWXTRKB-UKRRQHHQSA-N 3 2 294.443 0.399 20 0 CCADLP C[NH+]1CCC(NC(=O)C[N@@H+]2CCOC[C@]2(C)C2CC2)CC1 ZINC000934475418 616173253 /nfs/dbraw/zinc/17/32/53/616173253.db2.gz MFNJIZDZAJQUQO-MRXNPFEDSA-N 2 2 295.427 0.698 20 0 CCADLP C[NH+]1CCC(NC(=O)C[N@H+]2CCOC[C@]2(C)C2CC2)CC1 ZINC000934475418 616173254 /nfs/dbraw/zinc/17/32/54/616173254.db2.gz MFNJIZDZAJQUQO-MRXNPFEDSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000897004262 616212651 /nfs/dbraw/zinc/21/26/51/616212651.db2.gz FLMFKZNMMPOBEF-KKUMJFAQSA-N 2 2 295.427 0.840 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000897004262 616212652 /nfs/dbraw/zinc/21/26/52/616212652.db2.gz FLMFKZNMMPOBEF-KKUMJFAQSA-N 2 2 295.427 0.840 20 0 CCADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933967179 616213390 /nfs/dbraw/zinc/21/33/90/616213390.db2.gz FLEMFNBVYJHEKE-MELADBBJSA-N 2 2 254.374 0.960 20 0 CCADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933967179 616213391 /nfs/dbraw/zinc/21/33/91/616213391.db2.gz FLEMFNBVYJHEKE-MELADBBJSA-N 2 2 254.374 0.960 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933967179 616213392 /nfs/dbraw/zinc/21/33/92/616213392.db2.gz FLEMFNBVYJHEKE-MELADBBJSA-N 2 2 254.374 0.960 20 0 CCADLP C[NH+]1CCC[C@H]1CC[N@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933967179 616213393 /nfs/dbraw/zinc/21/33/93/616213393.db2.gz FLEMFNBVYJHEKE-MELADBBJSA-N 2 2 254.374 0.960 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000894912508 616216849 /nfs/dbraw/zinc/21/68/49/616216849.db2.gz DTXCZOSOGLZMAV-OLZOCXBDSA-N 2 2 277.372 0.798 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000894912508 616216850 /nfs/dbraw/zinc/21/68/50/616216850.db2.gz DTXCZOSOGLZMAV-OLZOCXBDSA-N 2 2 277.372 0.798 20 0 CCADLP C[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000908423654 616219401 /nfs/dbraw/zinc/21/94/01/616219401.db2.gz WUNROVAUXPQDFN-AWEZNQCLSA-N 2 2 262.357 0.897 20 0 CCADLP C[N@H+]1CCC[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000908423654 616219402 /nfs/dbraw/zinc/21/94/02/616219402.db2.gz WUNROVAUXPQDFN-AWEZNQCLSA-N 2 2 262.357 0.897 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+]C2C[C@@H]3CCC[C@H]3C2)CC1 ZINC000902777219 616223538 /nfs/dbraw/zinc/22/35/38/616223538.db2.gz UICJBJIKXAOTCQ-STQMWFEESA-N 2 2 265.401 0.929 20 0 CCADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000872030126 616223625 /nfs/dbraw/zinc/22/36/25/616223625.db2.gz ZKRSETBIHDWCDA-CQSZACIVSA-N 2 2 295.427 0.842 20 0 CCADLP C[N@@H+]1CCN(C(=O)[C@@H]2CC[NH+]2C2CCCC2)C[C@H]1CO ZINC000913540299 616227286 /nfs/dbraw/zinc/22/72/86/616227286.db2.gz SHENQIQQKQGECF-KBPBESRZSA-N 2 2 281.400 0.138 20 0 CCADLP C[N@H+]1CCN(C(=O)[C@@H]2CC[NH+]2C2CCCC2)C[C@H]1CO ZINC000913540299 616227287 /nfs/dbraw/zinc/22/72/87/616227287.db2.gz SHENQIQQKQGECF-KBPBESRZSA-N 2 2 281.400 0.138 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+]2C2CCCC2)C[C@H]1CO ZINC000913540299 616227288 /nfs/dbraw/zinc/22/72/88/616227288.db2.gz SHENQIQQKQGECF-KBPBESRZSA-N 2 2 281.400 0.138 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2CC[N@H+]2C2CCCC2)C[C@H]1CO ZINC000913540299 616227289 /nfs/dbraw/zinc/22/72/89/616227289.db2.gz SHENQIQQKQGECF-KBPBESRZSA-N 2 2 281.400 0.138 20 0 CCADLP C[N@H+](CC1CC1)C[C@H]1CCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000960528154 616257651 /nfs/dbraw/zinc/25/76/51/616257651.db2.gz PUKLEQMNUFDUJB-CABCVRRESA-N 2 2 295.427 0.650 20 0 CCADLP C[N@@H+](CC1CC1)C[C@H]1CCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000960528154 616257652 /nfs/dbraw/zinc/25/76/52/616257652.db2.gz PUKLEQMNUFDUJB-CABCVRRESA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+](CC1CC1)C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000960528154 616257653 /nfs/dbraw/zinc/25/76/53/616257653.db2.gz PUKLEQMNUFDUJB-CABCVRRESA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+](CC1CC1)C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000960528154 616257654 /nfs/dbraw/zinc/25/76/54/616257654.db2.gz PUKLEQMNUFDUJB-CABCVRRESA-N 2 2 295.427 0.650 20 0 CCADLP C[NH+](C)C1(CNC(=O)N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)CC1 ZINC000922994938 616262873 /nfs/dbraw/zinc/26/28/73/616262873.db2.gz IKBPUDKZRNXMFN-OLZOCXBDSA-N 2 2 296.415 0.195 20 0 CCADLP C[NH+](C)C1(CNC(=O)N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)CC1 ZINC000922994938 616262874 /nfs/dbraw/zinc/26/28/74/616262874.db2.gz IKBPUDKZRNXMFN-OLZOCXBDSA-N 2 2 296.415 0.195 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC[C@H]21 ZINC000827246344 616323177 /nfs/dbraw/zinc/32/31/77/616323177.db2.gz QCTOIKBUAGAZMC-MGPQQGTHSA-N 2 2 288.395 0.998 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC[C@H]21 ZINC000827246344 616323183 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COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc[nH]c(=O)c1 ZINC000921667271 616348531 /nfs/dbraw/zinc/34/85/31/616348531.db2.gz NXDYJDFVAAYSBP-CYBMUJFWSA-N 2 2 265.357 0.988 20 0 CCADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cn3ccnc3s2)C1 ZINC000893606051 616351400 /nfs/dbraw/zinc/35/14/00/616351400.db2.gz LWXFWDCJMQUEOP-GFCCVEGCSA-N 2 2 266.370 0.552 20 0 CCADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cn3ccnc3s2)C1 ZINC000893606051 616351402 /nfs/dbraw/zinc/35/14/02/616351402.db2.gz LWXFWDCJMQUEOP-GFCCVEGCSA-N 2 2 266.370 0.552 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC000895292037 616355655 /nfs/dbraw/zinc/35/56/55/616355655.db2.gz RJIROOZVSMZETF-WCQYABFASA-N 2 2 277.372 0.308 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)c1 ZINC000895292037 616355659 /nfs/dbraw/zinc/35/56/59/616355659.db2.gz RJIROOZVSMZETF-WCQYABFASA-N 2 2 277.372 0.308 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000932687491 616364113 /nfs/dbraw/zinc/36/41/13/616364113.db2.gz 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ZINC000943767207 616416229 /nfs/dbraw/zinc/41/62/29/616416229.db2.gz SDEMWOPPDPKSAB-NEPJUHHUSA-N 2 2 280.372 0.425 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC000943767207 616416230 /nfs/dbraw/zinc/41/62/30/616416230.db2.gz SDEMWOPPDPKSAB-NEPJUHHUSA-N 2 2 280.372 0.425 20 0 CCADLP COC1(OC)CC[C@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000926231351 616485871 /nfs/dbraw/zinc/48/58/71/616485871.db2.gz ZWEVQHVIQXEBEI-GHMZBOCLSA-N 2 2 251.330 0.939 20 0 CCADLP C[N@@H+]1Cc2ccccc2[C@@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925728395 616517982 /nfs/dbraw/zinc/51/79/82/616517982.db2.gz UGCPCLYRYXUTPA-ZFWWWQNUSA-N 2 2 261.369 0.751 20 0 CCADLP C[N@H+]1Cc2ccccc2[C@@H]1CN[C@H]1C[NH2+]CCOC1 ZINC000925728395 616517986 /nfs/dbraw/zinc/51/79/86/616517986.db2.gz UGCPCLYRYXUTPA-ZFWWWQNUSA-N 2 2 261.369 0.751 20 0 CCADLP Cn1ncc(C[NH3+])c1C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000877247399 616520032 /nfs/dbraw/zinc/52/00/32/616520032.db2.gz JNROGMCUKFIGNJ-CQSZACIVSA-N 2 2 299.378 0.795 20 0 CCADLP Cn1ncc(C[NH3+])c1C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000877247399 616520035 /nfs/dbraw/zinc/52/00/35/616520035.db2.gz JNROGMCUKFIGNJ-CQSZACIVSA-N 2 2 299.378 0.795 20 0 CCADLP COCCOCCOCC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000903770686 616553176 /nfs/dbraw/zinc/55/31/76/616553176.db2.gz YGOARJQUHHFRKG-UONOGXRCSA-N 2 2 272.389 0.479 20 0 CCADLP COCCOCCOCC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000903770686 616553179 /nfs/dbraw/zinc/55/31/79/616553179.db2.gz YGOARJQUHHFRKG-UONOGXRCSA-N 2 2 272.389 0.479 20 0 CCADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H]([NH3+])CC2CC2)CC1 ZINC000884315904 616634630 /nfs/dbraw/zinc/63/46/30/616634630.db2.gz DPSBXWSLZXJOAA-DGCLKSJQSA-N 2 2 297.399 0.210 20 0 CCADLP COC(=O)[C@H]([NH2+]CCn1cc[nH+]c1C)C1CCOCC1 ZINC000880338807 616636167 /nfs/dbraw/zinc/63/61/67/616636167.db2.gz FSVWWECUKSDEHW-CYBMUJFWSA-N 2 2 281.356 0.749 20 0 CCADLP COCC[C@H](CO)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926351846 616668289 /nfs/dbraw/zinc/66/82/89/616668289.db2.gz 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616734064 /nfs/dbraw/zinc/73/40/64/616734064.db2.gz LKYIOJMOHSEGLC-IVZWLZJFSA-N 2 2 262.300 0.725 20 0 CCADLP COC(=O)[C@H]1[C@@H](C[NH2+]C[C@@H]2CCC[N@H+]2C)C1(F)F ZINC000895411120 616734068 /nfs/dbraw/zinc/73/40/68/616734068.db2.gz LKYIOJMOHSEGLC-IVZWLZJFSA-N 2 2 262.300 0.725 20 0 CCADLP COC(=O)[C@H]1[C@@H](C[NH2+]CC(C)(C)[NH+](C)C)C1(F)F ZINC000894146768 616734576 /nfs/dbraw/zinc/73/45/76/616734576.db2.gz WFJUAJVAWGSMHS-RKDXNWHRSA-N 2 2 264.316 0.971 20 0 CCADLP COC[C@H]1C[NH2+]CCN1C(=O)Nc1cc(C)[nH+]cc1C ZINC000904397228 616789382 /nfs/dbraw/zinc/78/93/82/616789382.db2.gz BVHKPINQMFVKDP-GFCCVEGCSA-N 2 2 278.356 0.572 20 0 CCADLP COC(=O)[C@]12C[C@H]1CCC[N@@H+]2C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923551154 616806528 /nfs/dbraw/zinc/80/65/28/616806528.db2.gz JWXLWYJDJRZGJA-JMSVASOKSA-N 2 2 280.368 0.392 20 0 CCADLP COC(=O)[C@]12C[C@H]1CCC[N@H+]2C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923551154 616806530 /nfs/dbraw/zinc/80/65/30/616806530.db2.gz JWXLWYJDJRZGJA-JMSVASOKSA-N 2 2 280.368 0.392 20 0 CCADLP COC(=O)N[C@H]1CC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000886850900 616929110 /nfs/dbraw/zinc/92/91/10/616929110.db2.gz WVSLBAXSKFVMBH-NSHDSACASA-N 2 2 266.345 0.783 20 0 CCADLP COC(=O)N[C@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000886850900 616929112 /nfs/dbraw/zinc/92/91/12/616929112.db2.gz WVSLBAXSKFVMBH-NSHDSACASA-N 2 2 266.345 0.783 20 0 CCADLP C[NH2+]CC(=O)NC[C@H]1C[N@H+](Cc2cccc(C)c2)CCO1 ZINC000867997545 616937449 /nfs/dbraw/zinc/93/74/49/616937449.db2.gz GSVDAWARHNEFOK-HNNXBMFYSA-N 2 2 291.395 0.531 20 0 CCADLP C[NH2+]CC(=O)NC[C@H]1C[N@@H+](Cc2cccc(C)c2)CCO1 ZINC000867997545 616937451 /nfs/dbraw/zinc/93/74/51/616937451.db2.gz GSVDAWARHNEFOK-HNNXBMFYSA-N 2 2 291.395 0.531 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000923295546 616983959 /nfs/dbraw/zinc/98/39/59/616983959.db2.gz YLSUZOPZXBZFJX-MJBXVCDLSA-N 2 2 272.389 0.227 20 0 CCADLP C[NH2+]C[C@@H]1CCC[N@H+]1C[C@@H](O)COC[C@@H]1CCCO1 ZINC000923295546 616983966 /nfs/dbraw/zinc/98/39/66/616983966.db2.gz YLSUZOPZXBZFJX-MJBXVCDLSA-N 2 2 272.389 0.227 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCc2ccc(NC(C)=O)cc2C1 ZINC000872154471 616987716 /nfs/dbraw/zinc/98/77/16/616987716.db2.gz QTUZYYJHCIIPNI-MRXNPFEDSA-N 2 2 291.395 0.974 20 0 CCADLP C[NH2+]C[C@@](C)(O)C[N@H+]1CCc2ccc(NC(C)=O)cc2C1 ZINC000872154471 616987720 /nfs/dbraw/zinc/98/77/20/616987720.db2.gz QTUZYYJHCIIPNI-MRXNPFEDSA-N 2 2 291.395 0.974 20 0 CCADLP COC(=O)c1cncnc1NCC[NH+]1CCC([NH3+])CC1 ZINC000905705559 616997437 /nfs/dbraw/zinc/99/74/37/616997437.db2.gz JEZYSBBHIXMHGM-UHFFFAOYSA-N 2 2 279.344 0.098 20 0 CCADLP COC[C@@](C)(CC(=O)OC)[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903905610 617015100 /nfs/dbraw/zinc/01/51/00/617015100.db2.gz JTRLJVXTSLXWNX-LDYMZIIASA-N 2 2 268.304 0.527 20 0 CCADLP CNc1cc(NCC[N@@H+]2CCCOCC2)nc[nH+]1 ZINC000893383983 617059590 /nfs/dbraw/zinc/05/95/90/617059590.db2.gz ZDTVKVFXYLRXRX-UHFFFAOYSA-N 2 2 251.334 0.653 20 0 CCADLP CNc1cc(NCC[N@H+]2CCCOCC2)nc[nH+]1 ZINC000893383983 617059593 /nfs/dbraw/zinc/05/95/93/617059593.db2.gz ZDTVKVFXYLRXRX-UHFFFAOYSA-N 2 2 251.334 0.653 20 0 CCADLP COC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]c[nH+]c1C ZINC000962405084 617072168 /nfs/dbraw/zinc/07/21/68/617072168.db2.gz LUNNEKUEHHUFAP-APAOZMKASA-N 2 2 292.383 0.342 20 0 CCADLP COC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]c[nH+]c1C ZINC000962405084 617072171 /nfs/dbraw/zinc/07/21/71/617072171.db2.gz LUNNEKUEHHUFAP-APAOZMKASA-N 2 2 292.383 0.342 20 0 CCADLP CON1CC[C@H]([N@H+](C)CCN(C)C2CC[NH+](C)CC2)C1=O ZINC000930115612 617096712 /nfs/dbraw/zinc/09/67/12/617096712.db2.gz WZSMOHRCDQOHIB-AWEZNQCLSA-N 2 2 298.431 0.107 20 0 CCADLP CON1CC[C@H]([N@@H+](C)CCN(C)C2CC[NH+](C)CC2)C1=O ZINC000930115612 617096714 /nfs/dbraw/zinc/09/67/14/617096714.db2.gz WZSMOHRCDQOHIB-AWEZNQCLSA-N 2 2 298.431 0.107 20 0 CCADLP CON1CC[C@H]([NH2+]C2CC[NH+](C(C)C)CC2)C1=O ZINC000905762439 617099799 /nfs/dbraw/zinc/09/97/99/617099799.db2.gz SNOMPKZVOIXPSF-LBPRGKRZSA-N 2 2 255.362 0.611 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000925673286 625493686 /nfs/dbraw/zinc/49/36/86/625493686.db2.gz MFTHTUWTJTWVKD-SRVKXCTJSA-N 2 2 260.403 0.541 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001022736055 622709911 /nfs/dbraw/zinc/70/99/11/622709911.db2.gz KPRYKTYGBSIEKB-KIJLLGNVSA-N 2 2 292.383 0.141 20 0 CCADLP C[C@@H]1CC[C@H](C[NH2+][C@H]2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)O1 ZINC001022776167 622743456 /nfs/dbraw/zinc/74/34/56/622743456.db2.gz VPCQKQAEPCWGSX-NRWUCQMLSA-N 2 2 292.383 0.757 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccnc2)C1 ZINC001022976627 622875021 /nfs/dbraw/zinc/87/50/21/622875021.db2.gz CGGJOOLUXIZFND-OKILXGFUSA-N 2 2 299.378 0.795 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnon2)C1 ZINC001023093597 622907711 /nfs/dbraw/zinc/90/77/11/622907711.db2.gz ICZWSIPUGITADS-PHIMTYICSA-N 2 2 290.327 0.012 20 0 CCADLP Cc1c[nH+]cn1CC(=O)OCCC[N@@H+]1CCO[C@H](C)C1 ZINC000893388029 625646056 /nfs/dbraw/zinc/64/60/56/625646056.db2.gz XHEKFOWBLCWMFT-CYBMUJFWSA-N 2 2 281.356 0.846 20 0 CCADLP Cc1c[nH+]cn1CC(=O)OCCC[N@H+]1CCO[C@H](C)C1 ZINC000893388029 625646059 /nfs/dbraw/zinc/64/60/59/625646059.db2.gz XHEKFOWBLCWMFT-CYBMUJFWSA-N 2 2 281.356 0.846 20 0 CCADLP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892558177 623532420 /nfs/dbraw/zinc/53/24/20/623532420.db2.gz NWDSUSGZEZXUIN-RWMBFGLXSA-N 2 2 284.404 0.086 20 0 CCADLP COc1c(C)c[nH+]c(CNC(=O)[C@@H]2C[NH2+]CCO2)c1C ZINC000166467623 623709985 /nfs/dbraw/zinc/70/99/85/623709985.db2.gz ZISIOWWIOMFBTH-LBPRGKRZSA-N 2 2 279.340 0.312 20 0 CCADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000314257254 623893826 /nfs/dbraw/zinc/89/38/26/623893826.db2.gz ZZOXVLJGUIBNGM-HZPDHXFCSA-N 3 2 299.459 0.390 20 0 CCADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000314257254 623893827 /nfs/dbraw/zinc/89/38/27/623893827.db2.gz ZZOXVLJGUIBNGM-HZPDHXFCSA-N 3 2 299.459 0.390 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3csnn3)C2)C1 ZINC001019772963 623907744 /nfs/dbraw/zinc/90/77/44/623907744.db2.gz YDGZZTMBSVTQIS-MNOVXSKESA-N 2 2 295.412 0.180 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3csnn3)C2)C1 ZINC001019772963 623907759 /nfs/dbraw/zinc/90/77/59/623907759.db2.gz YDGZZTMBSVTQIS-MNOVXSKESA-N 2 2 295.412 0.180 20 0 CCADLP CCC[NH+]1CCC([NH2+]CC(=O)NCC2CC2)CC1 ZINC000049555464 624465995 /nfs/dbraw/zinc/46/59/95/624465995.db2.gz HBCUSLPBQUNWCD-UHFFFAOYSA-N 2 2 253.390 0.977 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cnn(CCF)c1 ZINC000902444900 634386026 /nfs/dbraw/zinc/38/60/26/634386026.db2.gz IWWQJCFSMDZSRD-DGCLKSJQSA-N 2 2 270.352 0.709 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001020571197 624530809 /nfs/dbraw/zinc/53/08/09/624530809.db2.gz FWLKDCVTDIEXJK-FIQHERPVSA-N 2 2 292.383 0.447 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+]C[C@H]2CCCCO2)C1 ZINC001020637695 624556749 /nfs/dbraw/zinc/55/67/49/624556749.db2.gz ZTNPCIXMGXNNKY-YRGRVCCFSA-N 2 2 292.383 0.758 20 0 CCADLP Cc1oncc1C[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001020637092 624556824 /nfs/dbraw/zinc/55/68/24/624556824.db2.gz MZRDAPJEZHOQEA-HAQNSBGRSA-N 2 2 289.339 0.686 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000970103647 624602893 /nfs/dbraw/zinc/60/28/93/624602893.db2.gz RDLCOQBSEWCYAF-QWHCGFSZSA-N 2 2 292.383 0.569 20 0 CCADLP Cc1oncc1C[NH2+][C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001020818837 624606567 /nfs/dbraw/zinc/60/65/67/624606567.db2.gz GCQBUAAHKISGDP-HAQNSBGRSA-N 2 2 289.339 0.686 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC001021126175 624662360 /nfs/dbraw/zinc/66/23/60/624662360.db2.gz HHKGHTQTDGUVQJ-IHRRRGAJSA-N 2 2 292.383 0.547 20 0 CCADLP Cc1nocc1C[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001021126863 624663140 /nfs/dbraw/zinc/66/31/40/624663140.db2.gz ZOASPZFHXAOPRK-JOCQHMNTSA-N 2 2 289.339 0.617 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC000970340949 624678612 /nfs/dbraw/zinc/67/86/12/624678612.db2.gz IBTODZQHVBGLDW-CYBMUJFWSA-N 2 2 292.383 0.569 20 0 CCADLP [NH3+][C@H]1C[C@@H](CNC(=O)NCc2ccn3cc[nH+]c3c2)C1 ZINC000891681098 624902727 /nfs/dbraw/zinc/90/27/27/624902727.db2.gz GTBXNBFCCMPZEM-TXEJJXNPSA-N 2 2 273.340 0.871 20 0 CCADLP C[C@@H]1C[N@@H+](CCN2CCN(C)CC[NH+](C)CC2)C[C@H](C)O1 ZINC000933990897 625000714 /nfs/dbraw/zinc/00/07/14/625000714.db2.gz TZCNZWMXDJYDCN-IYBDPMFKSA-N 2 2 298.475 0.275 20 0 CCADLP C[C@@H]1C[N@H+](CCN2CCN(C)CC[NH+](C)CC2)C[C@H](C)O1 ZINC000933990897 625000715 /nfs/dbraw/zinc/00/07/15/625000715.db2.gz TZCNZWMXDJYDCN-IYBDPMFKSA-N 2 2 298.475 0.275 20 0 CCADLP C[C@@H]1C[NH+](CCN2CCN(C)CC[N@H+](C)CC2)C[C@H](C)O1 ZINC000933990897 625000716 /nfs/dbraw/zinc/00/07/16/625000716.db2.gz TZCNZWMXDJYDCN-IYBDPMFKSA-N 2 2 298.475 0.275 20 0 CCADLP C[C@@H]1C[NH+](CCN2CCN(C)CC[N@@H+](C)CC2)C[C@H](C)O1 ZINC000933990897 625000717 /nfs/dbraw/zinc/00/07/17/625000717.db2.gz TZCNZWMXDJYDCN-IYBDPMFKSA-N 2 2 298.475 0.275 20 0 CCADLP CC(C)[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001027090470 625727038 /nfs/dbraw/zinc/72/70/38/625727038.db2.gz RJRSEWFGHFJBLW-LLVKDONJSA-N 2 2 250.346 0.799 20 0 CCADLP CC[NH2+]C[C@@H]1CCN(C(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC001027148318 625743680 /nfs/dbraw/zinc/74/36/80/625743680.db2.gz BWCRSYNJENQHES-AWEZNQCLSA-N 2 2 295.427 0.699 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[N@H+](CCCF)C1 ZINC001009206120 625778278 /nfs/dbraw/zinc/77/82/78/625778278.db2.gz DUOBWOXNNIQEKH-LBPRGKRZSA-N 2 2 282.363 0.903 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[N@@H+](CCCF)C1 ZINC001009206120 625778283 /nfs/dbraw/zinc/77/82/83/625778283.db2.gz DUOBWOXNNIQEKH-LBPRGKRZSA-N 2 2 282.363 0.903 20 0 CCADLP CC[C@H](C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1)OC ZINC001009717490 625912563 /nfs/dbraw/zinc/91/25/63/625912563.db2.gz OZGJIHQPKQFPQL-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP CC[C@H](C[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2)C1)OC ZINC001009717490 625912601 /nfs/dbraw/zinc/91/26/01/625912601.db2.gz OZGJIHQPKQFPQL-ZIAGYGMSSA-N 2 2 294.399 0.889 20 0 CCADLP Cn1cc(C[NH+]2CCN(C[C@H]3CCC[NH2+]3)CC2)cn1 ZINC000903445720 634568562 /nfs/dbraw/zinc/56/85/62/634568562.db2.gz OAVBIZNOOUDSEO-CQSZACIVSA-N 2 2 263.389 0.290 20 0 CCADLP C[C@@H]1CC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)[C@H](C[NH3+])C1 ZINC000903766358 634643999 /nfs/dbraw/zinc/64/39/99/634643999.db2.gz PPNMOFYXICMFGG-CBBWQLFWSA-N 3 2 267.417 0.814 20 0 CCADLP C[C@@H]1CC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)[C@H](C[NH3+])C1 ZINC000903766358 634644003 /nfs/dbraw/zinc/64/40/03/634644003.db2.gz PPNMOFYXICMFGG-CBBWQLFWSA-N 3 2 267.417 0.814 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CC[N@@H+]2CCOC[C@@H]1CCCO1 ZINC000903856516 634668968 /nfs/dbraw/zinc/66/89/68/634668968.db2.gz RNOROKBGFXQJGR-HZSPNIEDSA-N 2 2 254.374 0.995 20 0 CCADLP [NH3+]C[C@]12CC[C@@H]1CC[N@H+]2CCOC[C@@H]1CCCO1 ZINC000903856516 634668970 /nfs/dbraw/zinc/66/89/70/634668970.db2.gz RNOROKBGFXQJGR-HZSPNIEDSA-N 2 2 254.374 0.995 20 0 CCADLP [NH3+]C[C@H]([NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC000903920042 634686717 /nfs/dbraw/zinc/68/67/17/634686717.db2.gz RQLMYKPHGOROQR-HIFRSBDPSA-N 3 2 292.431 0.810 20 0 CCADLP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCOC(C)(C)C2)cnn1C ZINC000903920630 634687026 /nfs/dbraw/zinc/68/70/26/634687026.db2.gz KMDJBURJARSFCQ-ZDUSSCGKSA-N 2 2 280.416 0.957 20 0 CCADLP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCOC(C)(C)C2)cnn1C ZINC000903920630 634687030 /nfs/dbraw/zinc/68/70/30/634687030.db2.gz KMDJBURJARSFCQ-ZDUSSCGKSA-N 2 2 280.416 0.957 20 0 CCADLP [NH3+]Cc1nc2c(s1)CC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904386089 634741470 /nfs/dbraw/zinc/74/14/70/634741470.db2.gz OVRUNVIEZANOQI-DTORHVGOSA-N 3 2 252.387 0.697 20 0 CCADLP [NH3+]Cc1nc2c(s1)CC[N@@H+](C[C@H]1C[C@@H]([NH3+])C1)C2 ZINC000904386089 634741473 /nfs/dbraw/zinc/74/14/73/634741473.db2.gz OVRUNVIEZANOQI-DTORHVGOSA-N 3 2 252.387 0.697 20 0 CCADLP [NH3+]C1(C[NH2+]Cc2cnc(N3CCOCC3)s2)CC1 ZINC000904449147 634749882 /nfs/dbraw/zinc/74/98/82/634749882.db2.gz FNFJMVQDHJNEMV-UHFFFAOYSA-N 2 2 268.386 0.561 20 0 CCADLP Cc1nc(N2CC[NH+](CCCn3cc[nH+]c3C)CC2)n[nH]1 ZINC000931626239 630899688 /nfs/dbraw/zinc/89/96/88/630899688.db2.gz CXSQZNQXIOEOOA-UHFFFAOYSA-N 2 2 289.387 0.830 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCF ZINC001027794877 630924911 /nfs/dbraw/zinc/92/49/11/630924911.db2.gz KMBWACWENDVUIZ-RYUDHWBXSA-N 2 2 257.353 0.631 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCF ZINC001027794877 630924914 /nfs/dbraw/zinc/92/49/14/630924914.db2.gz KMBWACWENDVUIZ-RYUDHWBXSA-N 2 2 257.353 0.631 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCF ZINC001027794877 630924917 /nfs/dbraw/zinc/92/49/17/630924917.db2.gz KMBWACWENDVUIZ-RYUDHWBXSA-N 2 2 257.353 0.631 20 0 CCADLP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCF ZINC001027794877 630924919 /nfs/dbraw/zinc/92/49/19/630924919.db2.gz KMBWACWENDVUIZ-RYUDHWBXSA-N 2 2 257.353 0.631 20 0 CCADLP Cn1cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c(C2CC2)n1 ZINC000893605986 631023639 /nfs/dbraw/zinc/02/36/39/631023639.db2.gz LLVPQRIWMTXICC-AWEZNQCLSA-N 2 2 264.373 0.454 20 0 CCADLP Cn1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c(C2CC2)n1 ZINC000893605986 631023644 /nfs/dbraw/zinc/02/36/44/631023644.db2.gz LLVPQRIWMTXICC-AWEZNQCLSA-N 2 2 264.373 0.454 20 0 CCADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCC(=O)NC(N)=O ZINC000931726222 631064892 /nfs/dbraw/zinc/06/48/92/631064892.db2.gz FKWKGHFUKHQIOX-WDEREUQCSA-N 2 2 268.361 0.130 20 0 CCADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCC(=O)NC(N)=O ZINC000931726222 631064898 /nfs/dbraw/zinc/06/48/98/631064898.db2.gz FKWKGHFUKHQIOX-WDEREUQCSA-N 2 2 268.361 0.130 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCCC(=O)NC(N)=O ZINC000931726222 631064904 /nfs/dbraw/zinc/06/49/04/631064904.db2.gz FKWKGHFUKHQIOX-WDEREUQCSA-N 2 2 268.361 0.130 20 0 CCADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCCC(=O)NC(N)=O ZINC000931726222 631064910 /nfs/dbraw/zinc/06/49/10/631064910.db2.gz FKWKGHFUKHQIOX-WDEREUQCSA-N 2 2 268.361 0.130 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCF)C1 ZINC000981456536 631280333 /nfs/dbraw/zinc/28/03/33/631280333.db2.gz JVCVAZOECIZHMM-VXGBXAGGSA-N 2 2 282.363 0.949 20 0 CCADLP Cc1cc(CC[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)nn1C ZINC000925831144 631362746 /nfs/dbraw/zinc/36/27/46/631362746.db2.gz CIYXZJWHCAULGE-SMDDNHRTSA-N 2 2 266.389 0.628 20 0 CCADLP Cn1nnc2c1C[C@H]([NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)CC2 ZINC000925893098 631437707 /nfs/dbraw/zinc/43/77/07/631437707.db2.gz KSJGMYNZXFPMGK-UGFHNGPFSA-N 2 2 291.399 0.029 20 0 CCADLP CC1(C)COCC[N@@H+]1CCNC(=O)C[NH2+]CC1CC1 ZINC000178763571 631542109 /nfs/dbraw/zinc/54/21/09/631542109.db2.gz DEPGWZYHKHXFQH-UHFFFAOYSA-N 2 2 269.389 0.213 20 0 CCADLP CC1(C)COCC[N@H+]1CCNC(=O)C[NH2+]CC1CC1 ZINC000178763571 631542122 /nfs/dbraw/zinc/54/21/22/631542122.db2.gz DEPGWZYHKHXFQH-UHFFFAOYSA-N 2 2 269.389 0.213 20 0 CCADLP Cc1ncoc1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000894199818 631587807 /nfs/dbraw/zinc/58/78/07/631587807.db2.gz HKUAEILFDAFNTG-UHFFFAOYSA-N 2 2 253.346 0.919 20 0 CCADLP C[C@@H]1C[C@H]([NH+](C)CCc2nnnn2C)CC[N@@H+]1C ZINC000878164056 631598880 /nfs/dbraw/zinc/59/88/80/631598880.db2.gz ZXMBBPNVMOKSIV-GHMZBOCLSA-N 2 2 252.366 0.167 20 0 CCADLP C[C@@H]1C[C@H]([NH+](C)CCc2nnnn2C)CC[N@H+]1C ZINC000878164056 631598888 /nfs/dbraw/zinc/59/88/88/631598888.db2.gz ZXMBBPNVMOKSIV-GHMZBOCLSA-N 2 2 252.366 0.167 20 0 CCADLP C[C@@H]1C[C@H]([N@H+](C)CCc2nnnn2C)CC[NH+]1C ZINC000878164056 631598896 /nfs/dbraw/zinc/59/88/96/631598896.db2.gz ZXMBBPNVMOKSIV-GHMZBOCLSA-N 2 2 252.366 0.167 20 0 CCADLP C[C@@H]1C[C@H]([N@@H+](C)CCc2nnnn2C)CC[NH+]1C ZINC000878164056 631598904 /nfs/dbraw/zinc/59/89/04/631598904.db2.gz ZXMBBPNVMOKSIV-GHMZBOCLSA-N 2 2 252.366 0.167 20 0 CCADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C(C)(C)CO ZINC000924903581 631611940 /nfs/dbraw/zinc/61/19/40/631611940.db2.gz 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C[C@H]1C[NH+](C)C[C@H]1N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000865659874 633209154 /nfs/dbraw/zinc/20/91/54/633209154.db2.gz TYXUEEAHLVSESC-RWMBFGLXSA-N 2 2 255.406 0.371 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCCn2ccc(=O)[nH]c2=O)C[N@@H+]1C1CC1 ZINC000898332320 633305621 /nfs/dbraw/zinc/30/56/21/633305621.db2.gz KPLDUJDJYMWMAK-NEPJUHHUSA-N 2 2 292.383 0.554 20 0 CCADLP C[C@@H]1C[C@H]([NH2+]CCCn2ccc(=O)[nH]c2=O)C[N@H+]1C1CC1 ZINC000898332320 633305630 /nfs/dbraw/zinc/30/56/30/633305630.db2.gz KPLDUJDJYMWMAK-NEPJUHHUSA-N 2 2 292.383 0.554 20 0 CCADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCn1ccc(=O)[nH]c1=O ZINC000898334027 633306641 /nfs/dbraw/zinc/30/66/41/633306641.db2.gz ZPXFVYWGVARNDO-WCQYABFASA-N 2 2 292.383 0.411 20 0 CCADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCn1ccc(=O)[nH]c1=O ZINC000898334027 633306649 /nfs/dbraw/zinc/30/66/49/633306649.db2.gz ZPXFVYWGVARNDO-WCQYABFASA-N 2 2 292.383 0.411 20 0 CCADLP CCC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC000989614171 633336241 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Cc1[nH]c(CNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)[nH+]c1C ZINC000901000984 634138797 /nfs/dbraw/zinc/13/87/97/634138797.db2.gz QFHDBKWHWDUDKV-GWCFXTLKSA-N 2 2 266.345 0.098 20 0 CCADLP O=C(CNc1cccc[nH+]1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000908199621 635312120 /nfs/dbraw/zinc/31/21/20/635312120.db2.gz GXLSUKWUMGWMLY-QWHCGFSZSA-N 2 2 290.367 0.161 20 0 CCADLP O=C(CNc1cccc[nH+]1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000908199621 635312128 /nfs/dbraw/zinc/31/21/28/635312128.db2.gz GXLSUKWUMGWMLY-QWHCGFSZSA-N 2 2 290.367 0.161 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+]2C(C)(C)C)[C@@H](C)C[N@@H+]1CCO ZINC000910932181 635854968 /nfs/dbraw/zinc/85/49/68/635854968.db2.gz WSPYTAIICQZQKD-RDBSUJKOSA-N 2 2 297.443 0.773 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+]2C(C)(C)C)[C@@H](C)C[N@H+]1CCO ZINC000910932181 635854973 /nfs/dbraw/zinc/85/49/73/635854973.db2.gz WSPYTAIICQZQKD-RDBSUJKOSA-N 2 2 297.443 0.773 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)[C@@H](C)C[NH+]1CCO ZINC000910932181 635854977 /nfs/dbraw/zinc/85/49/77/635854977.db2.gz WSPYTAIICQZQKD-RDBSUJKOSA-N 2 2 297.443 0.773 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)[C@@H](C)C[NH+]1CCO ZINC000910932181 635854980 /nfs/dbraw/zinc/85/49/80/635854980.db2.gz WSPYTAIICQZQKD-RDBSUJKOSA-N 2 2 297.443 0.773 20 0 CCADLP Cc1cc(CNC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)cc(C)[nH+]1 ZINC000911167601 636185771 /nfs/dbraw/zinc/18/57/71/636185771.db2.gz GYIPJGODDAEDID-UKRRQHHQSA-N 2 2 277.368 0.770 20 0 CCADLP Cc1cc(CNC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)cc(C)[nH+]1 ZINC000911167601 636185775 /nfs/dbraw/zinc/18/57/75/636185775.db2.gz GYIPJGODDAEDID-UKRRQHHQSA-N 2 2 277.368 0.770 20 0 CCADLP C[C@H](C(=O)N1CC[C@H]([NH+]2CCC2)C1)[NH+]1CCSCC1 ZINC000912913973 636700685 /nfs/dbraw/zinc/70/06/85/636700685.db2.gz SGNNHECBIITHIQ-OLZOCXBDSA-N 2 2 283.441 0.730 20 0 CCADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[NH2+][C@@H](c2cn[nH]c2)C1 ZINC000913448704 636817331 /nfs/dbraw/zinc/81/73/31/636817331.db2.gz XRDIRPCXPQYITG-YRGRVCCFSA-N 2 2 291.399 0.755 20 0 CCADLP C[C@](CO)([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000227531070 637028732 /nfs/dbraw/zinc/02/87/32/637028732.db2.gz KQZKDKLUWXBGHN-HZPDHXFCSA-N 2 2 278.396 0.940 20 0 CCADLP CCCOC(=O)[C@@H](C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174713101 637367480 /nfs/dbraw/zinc/36/74/80/637367480.db2.gz LBHMTPGZIRHMHT-CQSZACIVSA-N 2 2 285.432 0.897 20 0 CCADLP CCCOC(=O)[C@@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174713101 637367484 /nfs/dbraw/zinc/36/74/84/637367484.db2.gz LBHMTPGZIRHMHT-CQSZACIVSA-N 2 2 285.432 0.897 20 0 CCADLP CCCOC(=O)[C@H](C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174713112 637367611 /nfs/dbraw/zinc/36/76/11/637367611.db2.gz LBHMTPGZIRHMHT-AWEZNQCLSA-N 2 2 285.432 0.897 20 0 CCADLP CCCOC(=O)[C@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174713112 637367618 /nfs/dbraw/zinc/36/76/18/637367618.db2.gz LBHMTPGZIRHMHT-AWEZNQCLSA-N 2 2 285.432 0.897 20 0 CCADLP O=C(Cc1cn2c([nH+]1)CCCC2)NC12CC[NH+](CC1)C2 ZINC000913635436 637392685 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COCC[N@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC000994297783 637917878 /nfs/dbraw/zinc/91/78/78/637917878.db2.gz JMMLKXNKLIVPLE-CHWSQXEVSA-N 2 2 294.399 0.876 20 0 CCADLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCC1([NH+](C)C)CC1 ZINC000917224845 637959165 /nfs/dbraw/zinc/95/91/65/637959165.db2.gz WXFZHHWUPYOXSX-CYBMUJFWSA-N 2 2 297.447 0.016 20 0 CCADLP CCC[NH2+]C1CC(N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC000999696454 638992365 /nfs/dbraw/zinc/99/23/65/638992365.db2.gz BMOLMBOCFWFYMJ-UHFFFAOYSA-N 2 2 264.373 0.952 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC001000247314 639063362 /nfs/dbraw/zinc/06/33/62/639063362.db2.gz QWGSHJAUMIBLJN-YNEHKIRRSA-N 2 2 292.383 0.097 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[N@@H+](C[C@H](C)O)C2)c[nH+]1 ZINC001014900166 650501715 /nfs/dbraw/zinc/50/17/15/650501715.db2.gz CCQNPLXXBAVPCT-QWHCGFSZSA-N 2 2 294.399 0.498 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[N@H+](C[C@H](C)O)C2)c[nH+]1 ZINC001014900166 650501718 /nfs/dbraw/zinc/50/17/18/650501718.db2.gz CCQNPLXXBAVPCT-QWHCGFSZSA-N 2 2 294.399 0.498 20 0 CCADLP COC[C@H](C)[NH+]1CCC(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001003973664 639658785 /nfs/dbraw/zinc/65/87/85/639658785.db2.gz DRBPVDRCXFVUSE-LBPRGKRZSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NCc2c[nH+]cn2C)CC[N@@H+]1C ZINC000922516113 639712995 /nfs/dbraw/zinc/71/29/95/639712995.db2.gz SRAZIYBKCWMXCB-MWLCHTKSSA-N 2 2 251.334 0.312 20 0 CCADLP C[C@@H]1[C@H](NC(=O)NCc2c[nH+]cn2C)CC[N@H+]1C ZINC000922516113 639713002 /nfs/dbraw/zinc/71/30/02/639713002.db2.gz SRAZIYBKCWMXCB-MWLCHTKSSA-N 2 2 251.334 0.312 20 0 CCADLP c1c[nH+]c([C@H]2CCC[N@@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)C2)[nH]1 ZINC000923322987 640083893 /nfs/dbraw/zinc/08/38/93/640083893.db2.gz ULBRDFHTVUTJOS-STQMWFEESA-N 3 2 276.384 0.968 20 0 CCADLP c1c[nH+]c([C@H]2CCC[N@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)C2)[nH]1 ZINC000923322987 640083900 /nfs/dbraw/zinc/08/39/00/640083900.db2.gz ULBRDFHTVUTJOS-STQMWFEESA-N 3 2 276.384 0.968 20 0 CCADLP c1c[nH+]c(C2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)[nH]1 ZINC000923321275 640084952 /nfs/dbraw/zinc/08/49/52/640084952.db2.gz BKGMQIXJBLUWQV-CYBMUJFWSA-N 3 2 276.384 0.968 20 0 CCADLP Cc1nc(CN2CC[NH+]([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)cs1 ZINC000923320929 640085210 /nfs/dbraw/zinc/08/52/10/640085210.db2.gz ISUHYILDROJQGS-UBHSHLNASA-N 2 2 296.440 0.420 20 0 CCADLP Cn1ccnc1C[N@H+](CCO)[C@@H]1CC12CC[NH2+]CC2 ZINC000923343817 640093154 /nfs/dbraw/zinc/09/31/54/640093154.db2.gz XLZFSTWEFVWJAP-GFCCVEGCSA-N 2 2 264.373 0.357 20 0 CCADLP Cn1ccnc1C[N@@H+](CCO)[C@@H]1CC12CC[NH2+]CC2 ZINC000923343817 640093156 /nfs/dbraw/zinc/09/31/56/640093156.db2.gz XLZFSTWEFVWJAP-GFCCVEGCSA-N 2 2 264.373 0.357 20 0 CCADLP Cc1nc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)no1 ZINC000923453043 640146855 /nfs/dbraw/zinc/14/68/55/640146855.db2.gz YNLDXHCGGNSVOJ-NSHDSACASA-N 2 2 266.345 0.708 20 0 CCADLP [NH3+][C@]1(CO)CCC[N@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000923474602 640154290 /nfs/dbraw/zinc/15/42/90/640154290.db2.gz UDGJJDAYWAZLNC-HUUCEWRRSA-N 2 2 264.369 0.376 20 0 CCADLP [NH3+][C@]1(CO)CCC[N@@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000923474602 640154297 /nfs/dbraw/zinc/15/42/97/640154297.db2.gz UDGJJDAYWAZLNC-HUUCEWRRSA-N 2 2 264.369 0.376 20 0 CCADLP [NH3+][C@]1(CO)CCC[N@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C1 ZINC000923474746 640154742 /nfs/dbraw/zinc/15/47/42/640154742.db2.gz VKRGAJLKIMVXBY-XDQVBPFNSA-N 2 2 254.374 0.730 20 0 CCADLP [NH3+][C@]1(CO)CCC[N@@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C1 ZINC000923474746 640154748 /nfs/dbraw/zinc/15/47/48/640154748.db2.gz VKRGAJLKIMVXBY-XDQVBPFNSA-N 2 2 254.374 0.730 20 0 CCADLP [NH3+][C@]1(CO)CCC[N@H+](CCC(=O)NC2CCCC2)C1 ZINC000923475889 640156306 /nfs/dbraw/zinc/15/63/06/640156306.db2.gz CYWVRJRVUXVXNH-CQSZACIVSA-N 2 2 269.389 0.221 20 0 CCADLP [NH3+][C@]1(CO)CCC[N@@H+](CCC(=O)NC2CCCC2)C1 ZINC000923475889 640156309 /nfs/dbraw/zinc/15/63/09/640156309.db2.gz CYWVRJRVUXVXNH-CQSZACIVSA-N 2 2 269.389 0.221 20 0 CCADLP COc1cc[nH+]c(N2CC[NH+](C[C@@H](O)C3CC3)CC2)c1 ZINC000838821172 640275488 /nfs/dbraw/zinc/27/54/88/640275488.db2.gz YGAMUOGZLPFMCE-CQSZACIVSA-N 2 2 277.368 0.983 20 0 CCADLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000838899348 640280140 /nfs/dbraw/zinc/28/01/40/640280140.db2.gz UPJXEIOXSWWJRR-GFCCVEGCSA-N 2 2 250.346 0.313 20 0 CCADLP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](CCF)C2)C1 ZINC001015609223 650590871 /nfs/dbraw/zinc/59/08/71/650590871.db2.gz ZLFSWUJNTSILFG-OLZOCXBDSA-N 2 2 287.379 0.256 20 0 CCADLP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC[NH+](CCF)C2)C1 ZINC001015609223 650590874 /nfs/dbraw/zinc/59/08/74/650590874.db2.gz ZLFSWUJNTSILFG-OLZOCXBDSA-N 2 2 287.379 0.256 20 0 CCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](CCF)C2)C1 ZINC001015609223 650590876 /nfs/dbraw/zinc/59/08/76/650590876.db2.gz ZLFSWUJNTSILFG-OLZOCXBDSA-N 2 2 287.379 0.256 20 0 CCADLP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](CCF)C2)C1 ZINC001015609223 650590877 /nfs/dbraw/zinc/59/08/77/650590877.db2.gz ZLFSWUJNTSILFG-OLZOCXBDSA-N 2 2 287.379 0.256 20 0 CCADLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CCF)C2)C1 ZINC001015609222 650591133 /nfs/dbraw/zinc/59/11/33/650591133.db2.gz ZLFSWUJNTSILFG-CHWSQXEVSA-N 2 2 287.379 0.256 20 0 CCADLP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CC[NH+](CCF)C2)C1 ZINC001015609222 650591136 /nfs/dbraw/zinc/59/11/36/650591136.db2.gz ZLFSWUJNTSILFG-CHWSQXEVSA-N 2 2 287.379 0.256 20 0 CCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](CCF)C2)C1 ZINC001015609222 650591139 /nfs/dbraw/zinc/59/11/39/650591139.db2.gz ZLFSWUJNTSILFG-CHWSQXEVSA-N 2 2 287.379 0.256 20 0 CCADLP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCF)C2)C1 ZINC001015609222 650591141 /nfs/dbraw/zinc/59/11/41/650591141.db2.gz ZLFSWUJNTSILFG-CHWSQXEVSA-N 2 2 287.379 0.256 20 0 CCADLP C[C@@H](NC[C@@H](O)C[NH+](C)C)c1cn2c([nH+]1)CCCC2 ZINC000820809958 641535751 /nfs/dbraw/zinc/53/57/51/641535751.db2.gz LSCUIGVEMFNYMT-VXGBXAGGSA-N 2 2 266.389 0.793 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC001016105856 650681012 /nfs/dbraw/zinc/68/10/12/650681012.db2.gz IVJUTHXVMWIWGO-LBPRGKRZSA-N 2 2 262.357 0.861 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001016105856 650681016 /nfs/dbraw/zinc/68/10/16/650681016.db2.gz IVJUTHXVMWIWGO-LBPRGKRZSA-N 2 2 262.357 0.861 20 0 CCADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C[NH+]1CCCC1 ZINC000822870325 641709188 /nfs/dbraw/zinc/70/91/88/641709188.db2.gz CLQHKLFZBDOANB-ZIAGYGMSSA-N 2 2 281.400 0.404 20 0 CCADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)C[NH+]1CCCC1 ZINC000822870323 641709529 /nfs/dbraw/zinc/70/95/29/641709529.db2.gz CLQHKLFZBDOANB-UONOGXRCSA-N 2 2 281.400 0.404 20 0 CCADLP Cn1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001016255090 650707004 /nfs/dbraw/zinc/70/70/04/650707004.db2.gz LLUZBXMCDQWNNM-QWHCGFSZSA-N 2 2 291.399 0.062 20 0 CCADLP Cn1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)n1 ZINC001016255090 650707005 /nfs/dbraw/zinc/70/70/05/650707005.db2.gz LLUZBXMCDQWNNM-QWHCGFSZSA-N 2 2 291.399 0.062 20 0 CCADLP Cn1ccc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001016255090 650707006 /nfs/dbraw/zinc/70/70/06/650707006.db2.gz LLUZBXMCDQWNNM-QWHCGFSZSA-N 2 2 291.399 0.062 20 0 CCADLP Cn1ccc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001016255090 650707007 /nfs/dbraw/zinc/70/70/07/650707007.db2.gz LLUZBXMCDQWNNM-QWHCGFSZSA-N 2 2 291.399 0.062 20 0 CCADLP COc1c(C)c[nH+]c(CNC(=O)C[C@H]2C[NH2+]CCO2)c1C ZINC000827976805 642055077 /nfs/dbraw/zinc/05/50/77/642055077.db2.gz UNIYCPDXYOAURZ-LBPRGKRZSA-N 2 2 293.367 0.702 20 0 CCADLP C[C@@H](NC(=O)c1cccc(C[NH3+])c1)[C@H](C)[NH+]1CCOCC1 ZINC000828771554 642118810 /nfs/dbraw/zinc/11/88/10/642118810.db2.gz BVUVZWQPWPQIII-OLZOCXBDSA-N 2 2 291.395 0.984 20 0 CCADLP [NH3+][C@@H](CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C1CC1 ZINC000831443837 642363512 /nfs/dbraw/zinc/36/35/12/642363512.db2.gz POGNHNSVYABMLC-STQMWFEESA-N 2 2 274.368 0.904 20 0 CCADLP CC[NH+]1CCC2(C[C@@H]2NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001016903285 650770316 /nfs/dbraw/zinc/77/03/16/650770316.db2.gz YMTHXWHZQPGWBQ-NSHDSACASA-N 2 2 262.357 0.943 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000841058481 642801865 /nfs/dbraw/zinc/80/18/65/642801865.db2.gz HQURSVCYVNJRKJ-SMDDNHRTSA-N 2 2 277.368 0.638 20 0 CCADLP CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001017441452 650802162 /nfs/dbraw/zinc/80/21/62/650802162.db2.gz QUBGMFUYANZAEI-HZSPNIEDSA-N 2 2 281.400 0.402 20 0 CCADLP CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001017441452 650802164 /nfs/dbraw/zinc/80/21/64/650802164.db2.gz QUBGMFUYANZAEI-HZSPNIEDSA-N 2 2 281.400 0.402 20 0 CCADLP CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001017441452 650802168 /nfs/dbraw/zinc/80/21/68/650802168.db2.gz QUBGMFUYANZAEI-HZSPNIEDSA-N 2 2 281.400 0.402 20 0 CCADLP CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001017441452 650802171 /nfs/dbraw/zinc/80/21/71/650802171.db2.gz QUBGMFUYANZAEI-HZSPNIEDSA-N 2 2 281.400 0.402 20 0 CCADLP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+](C)CCC[NH3+] ZINC000843351245 643035771 /nfs/dbraw/zinc/03/57/71/643035771.db2.gz MZLNCPGYFBYQCT-SECBINFHSA-N 2 2 291.355 0.876 20 0 CCADLP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+](C)CCC[NH3+] ZINC000843351245 643035776 /nfs/dbraw/zinc/03/57/76/643035776.db2.gz MZLNCPGYFBYQCT-SECBINFHSA-N 2 2 291.355 0.876 20 0 CCADLP O=C(CO[C@@H]1CCC[NH2+]C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000844177210 643171581 /nfs/dbraw/zinc/17/15/81/643171581.db2.gz BOKTVDBSVJNJSI-CQSZACIVSA-N 2 2 292.383 0.815 20 0 CCADLP C[N@H+](CC(F)F)C1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000844187436 643176194 /nfs/dbraw/zinc/17/61/94/643176194.db2.gz GXESKMNFLOKKCP-NSHDSACASA-N 2 2 275.343 0.926 20 0 CCADLP C[N@@H+](CC(F)F)C1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000844187436 643176201 /nfs/dbraw/zinc/17/62/01/643176201.db2.gz GXESKMNFLOKKCP-NSHDSACASA-N 2 2 275.343 0.926 20 0 CCADLP C[N@H+](CC(F)F)C1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000844187749 643176869 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FC(F)(F)CN1CCC[C@H]1C[NH2+][C@H]1CC[NH2+]C1 ZINC000925835082 648465349 /nfs/dbraw/zinc/46/53/49/648465349.db2.gz MCKZTTTUMLICHM-UWVGGRQHSA-N 2 2 251.296 0.965 20 0 CCADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925839797 648465757 /nfs/dbraw/zinc/46/57/57/648465757.db2.gz FKLUIOXGJSHCRZ-GJZGRUSLSA-N 3 2 268.449 0.792 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2cccnn2)CC1 ZINC000926060860 648484469 /nfs/dbraw/zinc/48/44/69/648484469.db2.gz KVRXMODRQIHGHL-UHFFFAOYSA-N 2 2 264.333 0.021 20 0 CCADLP O[C@@H](C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1(O)CCC1 ZINC000929992927 648809993 /nfs/dbraw/zinc/80/99/93/648809993.db2.gz YKGXQRWLAUBAEM-NEPJUHHUSA-N 2 2 265.357 0.865 20 0 CCADLP O[C@@H](C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C1(O)CCC1 ZINC000929992927 648809997 /nfs/dbraw/zinc/80/99/97/648809997.db2.gz YKGXQRWLAUBAEM-NEPJUHHUSA-N 2 2 265.357 0.865 20 0 CCADLP O[C@@H](C[NH+]1CCC([N@@H+]2CCCOCC2)CC1)C1(O)CCC1 ZINC000931284070 648974113 /nfs/dbraw/zinc/97/41/13/648974113.db2.gz NHOFZHOTRDORDZ-HNNXBMFYSA-N 2 2 298.427 0.449 20 0 CCADLP O[C@@H](C[NH+]1CCC([N@H+]2CCCOCC2)CC1)C1(O)CCC1 ZINC000931284070 648974118 /nfs/dbraw/zinc/97/41/18/648974118.db2.gz NHOFZHOTRDORDZ-HNNXBMFYSA-N 2 2 298.427 0.449 20 0 CCADLP C[C@@H](c1nccc(N)n1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931481045 648994630 /nfs/dbraw/zinc/99/46/30/648994630.db2.gz NDPQZCOGFBGKNX-NSHDSACASA-N 2 2 279.388 0.508 20 0 CCADLP C[C@@H](O)C[NH+]1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000950521190 649480910 /nfs/dbraw/zinc/48/09/10/649480910.db2.gz FYXNSCOSNUSSCD-CYBMUJFWSA-N 2 2 283.416 0.243 20 0 CCADLP C[C@H](C[NH2+]C1CCN(C(N)=O)CC1)[NH+]1CCCCC1 ZINC000038029103 790653184 /nfs/dbraw/zinc/65/31/84/790653184.db2.gz XBMFKYPWKAIAJK-GFCCVEGCSA-N 2 2 268.405 0.994 20 0 CCADLP c1cn2c([nH+]1)CCN(c1ncnc3c1C[NH2+]C3)CC2 ZINC001167182223 790679967 /nfs/dbraw/zinc/67/99/67/790679967.db2.gz JNCBTWVPUUCVFV-UHFFFAOYSA-N 2 2 256.313 0.339 20 0 CCADLP COCc1cc[nH+]c(N2C[C@H]3COC[C@@H](C2)C3[NH3+])c1 ZINC001167185880 790685606 /nfs/dbraw/zinc/68/56/06/790685606.db2.gz QKMXHFZXAYJLIS-ONXXMXGDSA-N 2 2 263.341 0.638 20 0 CCADLP C[C@@H](O)CCC[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167345902 790931861 /nfs/dbraw/zinc/93/18/61/790931861.db2.gz CCIYGCXPDULLRQ-LLVKDONJSA-N 2 2 268.361 0.209 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]CCOC1CCC1 ZINC001167346032 790933467 /nfs/dbraw/zinc/93/34/67/790933467.db2.gz FTEQBZRBCOODRK-UHFFFAOYSA-N 2 2 280.372 0.617 20 0 CCADLP O=C(Cc1c[nH]c[nH+]1)NCCC[NH2+]C[C@H]1C[C@]12CCOC2 ZINC001167349775 790944847 /nfs/dbraw/zinc/94/48/47/790944847.db2.gz GHFUAVHAGFDMJP-DOMZBBRYSA-N 2 2 292.383 0.475 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[N@H+](CC1CC1)C1CC1 ZINC001266615623 791036654 /nfs/dbraw/zinc/03/66/54/791036654.db2.gz NXRQYXNLGHFBIX-UHFFFAOYSA-N 2 2 262.357 0.943 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NCC[N@@H+](CC1CC1)C1CC1 ZINC001266615623 791036669 /nfs/dbraw/zinc/03/66/69/791036669.db2.gz NXRQYXNLGHFBIX-UHFFFAOYSA-N 2 2 262.357 0.943 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H](C[NH2+]CCO)C1CC1 ZINC001277709100 805975182 /nfs/dbraw/zinc/97/51/82/805975182.db2.gz DWKLHDHKWMFAIA-FZMZJTMJSA-N 2 2 294.399 0.407 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H](C[NH2+]CCO)C1CC1 ZINC001277709100 805975187 /nfs/dbraw/zinc/97/51/87/805975187.db2.gz DWKLHDHKWMFAIA-FZMZJTMJSA-N 2 2 294.399 0.407 20 0 CCADLP CN(C)C(=O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2c1c[nH+]cn1C ZINC001277765566 806023617 /nfs/dbraw/zinc/02/36/17/806023617.db2.gz LMVWMJQEYIEFBO-TXEJJXNPSA-N 2 2 277.372 0.161 20 0 CCADLP CN(C)C(=O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2c1c[nH+]cn1C ZINC001277765566 806023627 /nfs/dbraw/zinc/02/36/27/806023627.db2.gz LMVWMJQEYIEFBO-TXEJJXNPSA-N 2 2 277.372 0.161 20 0 CCADLP O=C(CCn1cc[nH+]c1)N1CCC[C@H](C[NH2+]CCCO)C1 ZINC001266802376 791247545 /nfs/dbraw/zinc/24/75/45/791247545.db2.gz ZFULYVONXYAESJ-CQSZACIVSA-N 2 2 294.399 0.484 20 0 CCADLP C[C@@H]1CC[C@H]([NH2+]CCCN2CC[NH+](C)CC2)C[NH2+]1 ZINC000398957872 791271163 /nfs/dbraw/zinc/27/11/63/791271163.db2.gz JUEBQESJPJDVLE-KGLIPLIRSA-N 3 2 254.422 0.354 20 0 CCADLP COCC[NH2+]C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001266826674 791272235 /nfs/dbraw/zinc/27/22/35/791272235.db2.gz VQPLDAISMMBDDB-CYBMUJFWSA-N 2 2 280.372 0.358 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001267020731 791456510 /nfs/dbraw/zinc/45/65/10/791456510.db2.gz MSXSSCYHJSYJSB-RYUDHWBXSA-N 2 2 280.372 0.425 20 0 CCADLP COCC[NH2+][C@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001267020731 791456515 /nfs/dbraw/zinc/45/65/15/791456515.db2.gz MSXSSCYHJSYJSB-RYUDHWBXSA-N 2 2 280.372 0.425 20 0 CCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@@H](C[NH2+]CCF)C1 ZINC001267047539 791478566 /nfs/dbraw/zinc/47/85/66/791478566.db2.gz MBTMYYQSTUQESD-QWHCGFSZSA-N 2 2 294.374 0.853 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCF)C1 ZINC001267058615 791487344 /nfs/dbraw/zinc/48/73/44/791487344.db2.gz MZKNVEIDVZCVFH-YNEHKIRRSA-N 2 2 294.374 0.931 20 0 CCADLP C[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)[C@H]1C[NH3+] ZINC000724568855 791595419 /nfs/dbraw/zinc/59/54/19/791595419.db2.gz LAUMBOQHUGXUDJ-PEBLQZBPSA-N 2 2 254.374 0.850 20 0 CCADLP C[C@@H]1CCC[N@H+](C[C@@H]2C[C@@H]3COC[C@H]3O2)[C@H]1C[NH3+] ZINC000724568855 791595412 /nfs/dbraw/zinc/59/54/12/791595412.db2.gz LAUMBOQHUGXUDJ-PEBLQZBPSA-N 2 2 254.374 0.850 20 0 CCADLP C[NH+]1CCN(c2nccnc2NCc2cc[nH+]c(N)c2)CC1 ZINC001167617506 791636185 /nfs/dbraw/zinc/63/61/85/791636185.db2.gz RIHNHFNXLWENTC-UHFFFAOYSA-N 2 2 299.382 0.818 20 0 CCADLP CO[C@H](C)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCc1[nH]cc[nH+]1 ZINC001234010407 806166664 /nfs/dbraw/zinc/16/66/64/806166664.db2.gz CYAATTTYOUOXCV-OLZOCXBDSA-N 2 2 294.399 0.910 20 0 CCADLP CCOCC[N@H+]1C[C@@H]2OCCN(CCn3cc[nH+]c3)[C@H]2C1 ZINC001277859216 806257491 /nfs/dbraw/zinc/25/74/91/806257491.db2.gz WTQAJLACDXVYIT-GJZGRUSLSA-N 2 2 294.399 0.305 20 0 CCADLP N[C@@]1(C(F)(F)F)CC[N@H+](C[C@]2(O)CCC[NH2+]C2)C1 ZINC001246032732 807128792 /nfs/dbraw/zinc/12/87/92/807128792.db2.gz SQVBTIZZNAFSIW-UWVGGRQHSA-N 2 2 267.295 0.066 20 0 CCADLP N[C@@]1(C(F)(F)F)CC[N@@H+](C[C@]2(O)CCC[NH2+]C2)C1 ZINC001246032732 807128795 /nfs/dbraw/zinc/12/87/95/807128795.db2.gz SQVBTIZZNAFSIW-UWVGGRQHSA-N 2 2 267.295 0.066 20 0 CCADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001234971692 806320590 /nfs/dbraw/zinc/32/05/90/806320590.db2.gz RVORFBLEDBCPCW-FDYHWXHSSA-N 3 2 289.370 0.397 20 0 CCADLP C[C@@H]1C[NH2+]CC(F)(F)[C@@H]1C[N@H+]1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001234971692 806320598 /nfs/dbraw/zinc/32/05/98/806320598.db2.gz RVORFBLEDBCPCW-FDYHWXHSSA-N 3 2 289.370 0.397 20 0 CCADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234979381 806322887 /nfs/dbraw/zinc/32/28/87/806322887.db2.gz DZHFZYLQIXYXCZ-AGIUHOORSA-N 3 2 288.386 0.115 20 0 CCADLP C[C@@H]1C[NH2+]CC(F)(F)[C@H]1CN1CCNC[C@@]12CC[NH2+]C2 ZINC001234979381 806322890 /nfs/dbraw/zinc/32/28/90/806322890.db2.gz DZHFZYLQIXYXCZ-AGIUHOORSA-N 2 2 288.386 0.115 20 0 CCADLP C([C@@H]1C[NH2+]CCO1)[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235233423 806392646 /nfs/dbraw/zinc/39/26/46/806392646.db2.gz PULKTMCLEVDTJJ-GJZGRUSLSA-N 3 2 267.417 0.829 20 0 CCADLP [NH3+]CC[N@@H+]1C[C@H]2CN(Cc3cccc(F)c3)C(=O)[C@H]2C1 ZINC001235466801 806426421 /nfs/dbraw/zinc/42/64/21/806426421.db2.gz LKARFGAITWTYGN-JSGCOSHPSA-N 2 2 277.343 0.675 20 0 CCADLP [NH3+]CC[N@H+]1C[C@H]2CN(Cc3cccc(F)c3)C(=O)[C@H]2C1 ZINC001235466801 806426428 /nfs/dbraw/zinc/42/64/28/806426428.db2.gz LKARFGAITWTYGN-JSGCOSHPSA-N 2 2 277.343 0.675 20 0 CCADLP C[C@@H]([NH3+])C[N@@H+]1CC[C@]2(CC(=O)N(c3cnn(C)c3)C2)C1 ZINC001235583968 806463264 /nfs/dbraw/zinc/46/32/64/806463264.db2.gz NRYLFOBPWVSBHZ-RISCZKNCSA-N 2 2 277.372 0.196 20 0 CCADLP C[C@@H]([NH3+])C[N@H+]1CC[C@]2(CC(=O)N(c3cnn(C)c3)C2)C1 ZINC001235583968 806463270 /nfs/dbraw/zinc/46/32/70/806463270.db2.gz NRYLFOBPWVSBHZ-RISCZKNCSA-N 2 2 277.372 0.196 20 0 CCADLP [NH3+]CC[NH+]1CCC2(CC[C@@H](C(=O)N3CCCC3)OC2)CC1 ZINC001235626487 806477666 /nfs/dbraw/zinc/47/76/66/806477666.db2.gz UHBVRTQPYWGLGW-AWEZNQCLSA-N 2 2 295.427 0.829 20 0 CCADLP [NH3+]CCN1Cc2c[nH+]cn2C[C@H](COc2ccccn2)C1 ZINC001235660470 806485769 /nfs/dbraw/zinc/48/57/69/806485769.db2.gz FFSBHXIPELKCFS-CYBMUJFWSA-N 2 2 287.367 0.748 20 0 CCADLP CC(C)C[C@H]1CN(CC2=CS[C@@H]([NH3+])N2)CC[NH2+]1 ZINC001235878407 806513647 /nfs/dbraw/zinc/51/36/47/806513647.db2.gz KOZOWKIHCVBXJM-JQWIXIFHSA-N 2 2 256.419 0.726 20 0 CCADLP Cc1c(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cnn1C ZINC001235992786 806524236 /nfs/dbraw/zinc/52/42/36/806524236.db2.gz LSPWQPXFZVYNPC-FUNVUKJBSA-N 2 2 250.346 0.134 20 0 CCADLP Cc1c(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cnn1C ZINC001235992786 806524240 /nfs/dbraw/zinc/52/42/40/806524240.db2.gz LSPWQPXFZVYNPC-FUNVUKJBSA-N 2 2 250.346 0.134 20 0 CCADLP CCc1cc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])on1 ZINC001235991219 806524263 /nfs/dbraw/zinc/52/42/63/806524263.db2.gz FHDGCSAGBHFRFJ-HWYHXSKPSA-N 2 2 251.330 0.643 20 0 CCADLP CCc1cc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])on1 ZINC001235991219 806524265 /nfs/dbraw/zinc/52/42/65/806524265.db2.gz FHDGCSAGBHFRFJ-HWYHXSKPSA-N 2 2 251.330 0.643 20 0 CCADLP CCOc1ccncc1C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235995424 806525534 /nfs/dbraw/zinc/52/55/34/806525534.db2.gz SISNCVJWECMZEU-NNQSOWQGSA-N 2 2 277.368 0.886 20 0 CCADLP CCOc1ccncc1C[N@@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235995424 806525542 /nfs/dbraw/zinc/52/55/42/806525542.db2.gz SISNCVJWECMZEU-NNQSOWQGSA-N 2 2 277.368 0.886 20 0 CCADLP COC(=O)[C@@H]1C[N@H+](CC2Cc3ccccc3C2)C[C@H]1[NH3+] ZINC001236337838 806567821 /nfs/dbraw/zinc/56/78/21/806567821.db2.gz BHRVOFSRFJTERT-HUUCEWRRSA-N 2 2 274.364 0.834 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+](CC2Cc3ccccc3C2)C[C@H]1[NH3+] ZINC001236337838 806567827 /nfs/dbraw/zinc/56/78/27/806567827.db2.gz BHRVOFSRFJTERT-HUUCEWRRSA-N 2 2 274.364 0.834 20 0 CCADLP CCC1=NC2(CC[NH+](C[C@H](C)[NH3+])CC2)C(=O)N1C ZINC001236537274 806592554 /nfs/dbraw/zinc/59/25/54/806592554.db2.gz UMSNKJHRFIUJAT-JTQLQIEISA-N 2 2 252.362 0.449 20 0 CCADLP CO[C@@H](C)C[NH2+][C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001278036272 806625632 /nfs/dbraw/zinc/62/56/32/806625632.db2.gz YUPKAWCXYOKNAV-RYUDHWBXSA-N 2 2 268.361 0.355 20 0 CCADLP CN1C(=O)CC[C@@H]2C[N@@H+](C[C@@H]3C[NH2+]C(C)(C)O3)CC[C@H]21 ZINC001237065604 806636682 /nfs/dbraw/zinc/63/66/82/806636682.db2.gz WEDBFZLWSNQDPE-FRRDWIJNSA-N 2 2 281.400 0.654 20 0 CCADLP CN1C(=O)CC[C@@H]2C[N@H+](C[C@@H]3C[NH2+]C(C)(C)O3)CC[C@H]21 ZINC001237065604 806636687 /nfs/dbraw/zinc/63/66/87/806636687.db2.gz WEDBFZLWSNQDPE-FRRDWIJNSA-N 2 2 281.400 0.654 20 0 CCADLP Cn1c(C[N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cccc1=O ZINC001237412374 806661479 /nfs/dbraw/zinc/66/14/79/806661479.db2.gz IGGOXSDPSUYQEZ-OCCSQVGLSA-N 2 2 261.369 0.959 20 0 CCADLP Cn1c(C[N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cccc1=O ZINC001237412374 806661484 /nfs/dbraw/zinc/66/14/84/806661484.db2.gz IGGOXSDPSUYQEZ-OCCSQVGLSA-N 2 2 261.369 0.959 20 0 CCADLP C[NH+](C)C1CCN(C(=O)c2noc3c2C[N@H+](C)CC3)CC1 ZINC001278097043 806663114 /nfs/dbraw/zinc/66/31/14/806663114.db2.gz VEYZHZLWCLISRG-UHFFFAOYSA-N 2 2 292.383 0.829 20 0 CCADLP C[NH+](C)C1CCN(C(=O)c2noc3c2C[N@@H+](C)CC3)CC1 ZINC001278097043 806663116 /nfs/dbraw/zinc/66/31/16/806663116.db2.gz VEYZHZLWCLISRG-UHFFFAOYSA-N 2 2 292.383 0.829 20 0 CCADLP C[C@@H]1CCN(C(=O)NCC[NH+]2CCC([NH3+])CC2)[C@@H]1C ZINC001120647743 798902760 /nfs/dbraw/zinc/90/27/60/798902760.db2.gz DENRYEUTUOMKEW-VXGBXAGGSA-N 2 2 268.405 0.849 20 0 CCADLP C[C@H](O)CNc1cc(NCCC[NH+](C)C)[nH+]cn1 ZINC001120872732 798952793 /nfs/dbraw/zinc/95/27/93/798952793.db2.gz HOUIAKRCQPYXCW-JTQLQIEISA-N 2 2 253.350 0.633 20 0 CCADLP C[C@H](O)CNc1cc(NCCC[NH+](C)C)nc[nH+]1 ZINC001120872732 798952795 /nfs/dbraw/zinc/95/27/95/798952795.db2.gz HOUIAKRCQPYXCW-JTQLQIEISA-N 2 2 253.350 0.633 20 0 CCADLP [NH3+]CC[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C(F)(F)F ZINC001121943597 799104225 /nfs/dbraw/zinc/10/42/25/799104225.db2.gz KOWPIKGSNUMEJH-ZCFIWIBFSA-N 2 2 250.224 0.348 20 0 CCADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C[C@H]1C[NH3+] ZINC001122219924 799172190 /nfs/dbraw/zinc/17/21/90/799172190.db2.gz IVOGGUNGVNDAKI-DDHJBXDOSA-N 2 2 262.357 0.577 20 0 CCADLP COC[C@@H]1C[NH2+]CCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001122333346 799202190 /nfs/dbraw/zinc/20/21/90/799202190.db2.gz YMZGJILBGYXCDK-NEPJUHHUSA-N 2 2 266.345 0.281 20 0 CCADLP CCN(C(=O)CCc1[nH+]ccn1C)[C@H]1CC[N@H+](C)C1 ZINC001123925929 799507026 /nfs/dbraw/zinc/50/70/26/799507026.db2.gz XBJSXRDDRFJSSJ-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP CCN(C(=O)CCc1[nH+]ccn1C)[C@H]1CC[N@@H+](C)C1 ZINC001123925929 799507030 /nfs/dbraw/zinc/50/70/30/799507030.db2.gz XBJSXRDDRFJSSJ-LBPRGKRZSA-N 2 2 264.373 0.905 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001124877961 799641609 /nfs/dbraw/zinc/64/16/09/799641609.db2.gz JCAWINWZDRFMMX-KOLCDFICSA-N 2 2 281.360 0.239 20 0 CCADLP Cc1nnc([C@@H](C)[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)o1 ZINC001124877961 799641611 /nfs/dbraw/zinc/64/16/11/799641611.db2.gz JCAWINWZDRFMMX-KOLCDFICSA-N 2 2 281.360 0.239 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C)c1ncccn1 ZINC001124879828 799643945 /nfs/dbraw/zinc/64/39/45/799643945.db2.gz ZZJKWZDVCDBOTA-NEPJUHHUSA-N 2 2 277.372 0.338 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C)c1ncccn1 ZINC001124879828 799643948 /nfs/dbraw/zinc/64/39/48/799643948.db2.gz ZZJKWZDVCDBOTA-NEPJUHHUSA-N 2 2 277.372 0.338 20 0 CCADLP COc1ncc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(OC)n1 ZINC001139235915 799798757 /nfs/dbraw/zinc/79/87/57/799798757.db2.gz YTJOOWODRNUUNQ-YPMHNXCESA-N 2 2 292.383 0.877 20 0 CCADLP COc1ncc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(OC)n1 ZINC001139235915 799798760 /nfs/dbraw/zinc/79/87/60/799798760.db2.gz YTJOOWODRNUUNQ-YPMHNXCESA-N 2 2 292.383 0.877 20 0 CCADLP COc1ncc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c(OC)n1 ZINC001139235915 799798767 /nfs/dbraw/zinc/79/87/67/799798767.db2.gz YTJOOWODRNUUNQ-YPMHNXCESA-N 2 2 292.383 0.877 20 0 CCADLP COc1ncc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c(OC)n1 ZINC001139235915 799798771 /nfs/dbraw/zinc/79/87/71/799798771.db2.gz YTJOOWODRNUUNQ-YPMHNXCESA-N 2 2 292.383 0.877 20 0 CCADLP CC[NH+](CC)CCN1CC[NH+](Cc2cn[nH]c2)CC1 ZINC001203086247 799971214 /nfs/dbraw/zinc/97/12/14/799971214.db2.gz PHNPRFHGPOQHNT-UHFFFAOYSA-N 2 2 265.405 0.869 20 0 CCADLP Cc1ccc(S(=O)(=O)NCC[NH2+]CC[NH3+])c(C)c1 ZINC001238839511 806813017 /nfs/dbraw/zinc/81/30/17/806813017.db2.gz SQUFLVXPVPSIRN-UHFFFAOYSA-N 2 2 271.386 0.130 20 0 CCADLP O=S(=O)(CC1CC[NH2+]CC1)NCCOc1cc[nH+]cc1 ZINC001238911433 806821388 /nfs/dbraw/zinc/82/13/88/806821388.db2.gz ZMCQKSQRBMBARF-UHFFFAOYSA-N 2 2 299.396 0.379 20 0 CCADLP O=C(C[NH+]1CCCC1)NCC[NH2+]Cc1ncc(C2CC2)o1 ZINC001151098160 800397549 /nfs/dbraw/zinc/39/75/49/800397549.db2.gz WAPGGVUKMOVBOO-UHFFFAOYSA-N 2 2 292.383 0.854 20 0 CCADLP O=C(Cn1cc[nH+]c1)NCC[NH2+]CCC[C@H]1CCOC1 ZINC001153495939 800634835 /nfs/dbraw/zinc/63/48/35/800634835.db2.gz RMIBLRBMIPWTKC-ZDUSSCGKSA-N 2 2 280.372 0.406 20 0 CCADLP CCO[C@@H](C[NH2+]CCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001153495835 800635494 /nfs/dbraw/zinc/63/54/94/800635494.db2.gz PIRQVRJKUDOYOC-ZDUSSCGKSA-N 2 2 280.372 0.404 20 0 CCADLP O=S(=O)(CC1CC[NH2+]CC1)N1CCc2[nH+]ccn2CC1 ZINC001239104367 806848883 /nfs/dbraw/zinc/84/88/83/806848883.db2.gz QAJFKVHNHKVZBK-UHFFFAOYSA-N 2 2 298.412 0.071 20 0 CCADLP C[C@@H](CN1CC[NH2+]CC1)Nc1[nH+]ccc2c1NC(=O)CO2 ZINC001154749167 800838632 /nfs/dbraw/zinc/83/86/32/800838632.db2.gz ZYZOQZMAMISQRE-JTQLQIEISA-N 2 2 291.355 0.118 20 0 CCADLP NC(=O)c1cc(F)cnc1-n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001155064867 800902272 /nfs/dbraw/zinc/90/22/72/800902272.db2.gz VZVVOJGRSGQFAD-UHFFFAOYSA-N 2 2 289.314 0.972 20 0 CCADLP C[NH+](C)C1(CNc2ccc(C(N)=O)nn2)CC[NH+](C)CC1 ZINC001156176729 801121447 /nfs/dbraw/zinc/12/14/47/801121447.db2.gz SAJWCAGJAFTLJG-UHFFFAOYSA-N 2 2 292.387 0.013 20 0 CCADLP CC[N@H+](C[C@H](C)O)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001156677408 801209246 /nfs/dbraw/zinc/20/92/46/801209246.db2.gz RUNGTXXHWKUODM-OLZOCXBDSA-N 2 2 296.415 0.560 20 0 CCADLP CC[N@@H+](C[C@H](C)O)[C@H](C)CNC(=O)CCc1c[nH+]cn1C ZINC001156677408 801209252 /nfs/dbraw/zinc/20/92/52/801209252.db2.gz RUNGTXXHWKUODM-OLZOCXBDSA-N 2 2 296.415 0.560 20 0 CCADLP Cn1cc[nH+]c1CCNC(=O)[C@@H]([NH3+])Cc1ccsc1 ZINC001157424841 801379272 /nfs/dbraw/zinc/37/92/72/801379272.db2.gz ZLEAKRQIPMBLSE-NSHDSACASA-N 2 2 278.381 0.710 20 0 CCADLP Cc1nc(N[C@H]2C[NH2+]CC[C@H]2F)nc(N(C)C)[nH+]1 ZINC001157450244 801386057 /nfs/dbraw/zinc/38/60/57/801386057.db2.gz NKGUKQDWKVOSLG-BDAKNGLRSA-N 2 2 254.313 0.358 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCc2cnccc2C1 ZINC001157566458 801423035 /nfs/dbraw/zinc/42/30/35/801423035.db2.gz CDBJFUNOIRSUCF-CYBMUJFWSA-N 2 2 271.324 0.259 20 0 CCADLP [NH3+]C[C@]1(F)CCCN(C(=O)c2n[nH]c3c2C[NH2+]CC3)CC1 ZINC001157774034 801481529 /nfs/dbraw/zinc/48/15/29/801481529.db2.gz PRYGYZKRHYRMRV-AWEZNQCLSA-N 2 2 295.362 0.349 20 0 CCADLP C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001157846338 801500453 /nfs/dbraw/zinc/50/04/53/801500453.db2.gz GZTLXRPJVKMUSV-UGFHNGPFSA-N 3 2 290.411 0.845 20 0 CCADLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCC[C@@](C)(CO)CC1 ZINC001157900904 801512993 /nfs/dbraw/zinc/51/29/93/801512993.db2.gz VAJICFHRWHYDAQ-DZGCQCFKSA-N 2 2 294.399 0.301 20 0 CCADLP CN1C[C@H](CNc2ccc(N3CC[NH2+]CC3)c[nH+]2)CC1=O ZINC001157909093 801517363 /nfs/dbraw/zinc/51/73/63/801517363.db2.gz LPFJKOOULZJLBI-LBPRGKRZSA-N 2 2 289.383 0.381 20 0 CCADLP COC(=O)Cc1cccc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001157914557 801519297 /nfs/dbraw/zinc/51/92/97/801519297.db2.gz HWHQJEQGKBIISE-UHFFFAOYSA-N 2 2 291.355 0.391 20 0 CCADLP CC(C)Oc1cncc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001157915939 801520426 /nfs/dbraw/zinc/52/04/26/801520426.db2.gz HHUYIGQHLRNSJO-UHFFFAOYSA-N 2 2 278.360 0.858 20 0 CCADLP CCOC(=O)c1cccnc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001157915191 801520875 /nfs/dbraw/zinc/52/08/75/801520875.db2.gz UUZDFDDEJDBBEV-UHFFFAOYSA-N 2 2 291.355 0.852 20 0 CCADLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@]1(CC)CCC[NH2+]C1 ZINC001157999895 801549786 /nfs/dbraw/zinc/54/97/86/801549786.db2.gz VEKDLQJGXCVELP-SWLSCSKDSA-N 2 2 297.399 0.130 20 0 CCADLP [NH3+]C1(C(=O)N2C[C@H]3c4ccccc4C(=O)[C@H]3C2)CC[NH2+]CC1 ZINC001158180429 801585779 /nfs/dbraw/zinc/58/57/79/801585779.db2.gz ZLYBRDUKKDDITR-KBPBESRZSA-N 2 2 299.374 0.506 20 0 CCADLP Cc1cnc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)nc1NC(C)C ZINC001158203044 801591058 /nfs/dbraw/zinc/59/10/58/801591058.db2.gz DFPFARPLISQQJD-LLVKDONJSA-N 2 2 290.371 0.653 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1ncnc2cc[nH]c21 ZINC001158202929 801591710 /nfs/dbraw/zinc/59/17/10/801591710.db2.gz AHOPZKXPVKFIHF-MRVPVSSYSA-N 2 2 258.285 0.006 20 0 CCADLP CC(C)c1cncnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158203921 801593113 /nfs/dbraw/zinc/59/31/13/801593113.db2.gz JNUNDGFZYBECHM-SNVBAGLBSA-N 2 2 261.329 0.648 20 0 CCADLP CC(=O)Nc1c(C)ccnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158206447 801594516 /nfs/dbraw/zinc/59/45/16/801594516.db2.gz OYNRTNPDGDYOEC-LLVKDONJSA-N 2 2 289.339 0.396 20 0 CCADLP CCOc1cncc(N2CCC([N@@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158258199 801607242 /nfs/dbraw/zinc/60/72/42/801607242.db2.gz SRPXFKBLCBETRX-GFCCVEGCSA-N 2 2 291.399 0.877 20 0 CCADLP CCOc1cncc(N2CCC([N@H+]3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158258199 801607244 /nfs/dbraw/zinc/60/72/44/801607244.db2.gz SRPXFKBLCBETRX-GFCCVEGCSA-N 2 2 291.399 0.877 20 0 CCADLP [NH3+][C@H]1CC[N@@H+](C2CCN(c3ncc4c(n3)C[NH2+]C4)CC2)C1 ZINC001158259872 801608100 /nfs/dbraw/zinc/60/81/00/801608100.db2.gz AOPMKCPXSUEUNN-LBPRGKRZSA-N 3 2 288.399 0.082 20 0 CCADLP [NH3+][C@H]1CC[N@H+](C2CCN(c3ncc4c(n3)C[NH2+]C4)CC2)C1 ZINC001158259872 801608104 /nfs/dbraw/zinc/60/81/04/801608104.db2.gz AOPMKCPXSUEUNN-LBPRGKRZSA-N 3 2 288.399 0.082 20 0 CCADLP COCC[NH+]1CCN(C(=O)[C@@H]([NH3+])Cc2ccsc2)CC1 ZINC001158605062 801671876 /nfs/dbraw/zinc/67/18/76/801671876.db2.gz USYLGVDXTSHFKR-ZDUSSCGKSA-N 2 2 297.424 0.409 20 0 CCADLP C[C@H](O)C[N@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001158654402 801679027 /nfs/dbraw/zinc/67/90/27/801679027.db2.gz WZEDVUYETKXLGD-QWHCGFSZSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@H](O)C[N@@H+](C)C[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001158654402 801679034 /nfs/dbraw/zinc/67/90/34/801679034.db2.gz WZEDVUYETKXLGD-QWHCGFSZSA-N 2 2 294.399 0.646 20 0 CCADLP O=C([C@@H]1CC[NH2+]1)N1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001158821250 801710169 /nfs/dbraw/zinc/71/01/69/801710169.db2.gz FQBXZARZBGZVDL-NSHDSACASA-N 2 2 287.323 0.166 20 0 CCADLP COC(C)(CNc1ccc(N2CC[NH2+]CC2)c[nH+]1)OC ZINC001159381489 801799314 /nfs/dbraw/zinc/79/93/14/801799314.db2.gz NNYDRWAIJCOSEW-UHFFFAOYSA-N 2 2 280.372 0.912 20 0 CCADLP C[C@@H](Nc1cc(N2CCOCC2)nc[nH+]1)[C@@H]1C[NH2+]CCO1 ZINC001159488997 801816502 /nfs/dbraw/zinc/81/65/02/801816502.db2.gz JACRMMOLWSLNJO-NEPJUHHUSA-N 2 2 293.371 0.102 20 0 CCADLP C[C@@H](Nc1cc(N2CCOCC2)[nH+]cn1)[C@@H]1C[NH2+]CCO1 ZINC001159488997 801816509 /nfs/dbraw/zinc/81/65/09/801816509.db2.gz JACRMMOLWSLNJO-NEPJUHHUSA-N 2 2 293.371 0.102 20 0 CCADLP CCc1cc(N[C@]([NH3+])(CC)CO)nc(N2CCOCC2)[nH+]1 ZINC001159744065 801859656 /nfs/dbraw/zinc/85/96/56/801859656.db2.gz NQCGVWKZMNDVJK-CQSZACIVSA-N 2 2 295.387 0.345 20 0 CCADLP CN(CCc1cccs1)C(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001160531640 801963976 /nfs/dbraw/zinc/96/39/76/801963976.db2.gz WNYLKVPUDPDOQT-QWRGUYRKSA-N 2 2 253.371 0.296 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NCCC[NH2+]C[C@@H](C)O)c[nH+]1 ZINC001160820929 802022408 /nfs/dbraw/zinc/02/24/08/802022408.db2.gz ZNIGBVFBKAXBON-GFCCVEGCSA-N 2 2 282.388 0.403 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCC1=CC[N@H+](CCO)CC1 ZINC001160822206 802022871 /nfs/dbraw/zinc/02/28/71/802022871.db2.gz WGHLQYSJQYRXSU-UHFFFAOYSA-N 2 2 292.383 0.404 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCC1=CC[N@@H+](CCO)CC1 ZINC001160822206 802022879 /nfs/dbraw/zinc/02/28/79/802022879.db2.gz WGHLQYSJQYRXSU-UHFFFAOYSA-N 2 2 292.383 0.404 20 0 CCADLP COc1cc[nH+]cc1CC(=O)NCCC[NH2+]C[C@H](C)OC ZINC001160839008 802026709 /nfs/dbraw/zinc/02/67/09/802026709.db2.gz PRZTYIVMBALJBD-LBPRGKRZSA-N 2 2 295.383 0.764 20 0 CCADLP CN(Cc1ccc(F)cc1F)C(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1 ZINC001160875622 802039773 /nfs/dbraw/zinc/03/97/73/802039773.db2.gz PKYYSDLSRWXYKD-LEWSCRJBSA-N 2 2 295.333 0.873 20 0 CCADLP COC1C[C@H]2CC[C@@H](C1)N2C(=O)C1([NH3+])CC[NH2+]CC1 ZINC001160909031 802045724 /nfs/dbraw/zinc/04/57/24/802045724.db2.gz JBFBMAAPACQCGV-FOSCPWQOSA-N 2 2 267.373 0.236 20 0 CCADLP COC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001160909419 802046108 /nfs/dbraw/zinc/04/61/08/802046108.db2.gz WHOSELHBHCMDQC-HNGCFSAESA-N 2 2 278.356 0.448 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001160937012 802049002 /nfs/dbraw/zinc/04/90/02/802049002.db2.gz QLEOIKAICCZRSR-JLUCKKNBSA-N 2 2 271.364 0.646 20 0 CCADLP O=C1C[NH2+]CCN1CCNc1cc(C2CC2)cc[nH+]1 ZINC001161025026 802068061 /nfs/dbraw/zinc/06/80/61/802068061.db2.gz WOAJQWLHNNEQSE-UHFFFAOYSA-N 2 2 260.341 0.803 20 0 CCADLP CN(C(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161057773 802078263 /nfs/dbraw/zinc/07/82/63/802078263.db2.gz GCXTZGRNUFXMKI-SRVKXCTJSA-N 3 2 265.361 0.008 20 0 CCADLP CN(C(=O)[C@@H]1C[NH2+]CC(F)(F)C1)[C@H]1CCCC[C@H]1[NH3+] ZINC001161058317 802079833 /nfs/dbraw/zinc/07/98/33/802079833.db2.gz RKMLREFIJWPMHV-AXFHLTTASA-N 2 2 275.343 0.960 20 0 CCADLP CCN(C(=O)[C@]1(C)CC(C)(C)C[NH2+]1)C1C[NH+](C)C1 ZINC001161138162 802097211 /nfs/dbraw/zinc/09/72/11/802097211.db2.gz OJMZEOQHCVQEPV-AWEZNQCLSA-N 2 2 253.390 0.927 20 0 CCADLP CN(C(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)[C@@H]1CCC2(C1)OCCO2 ZINC001161219031 802110562 /nfs/dbraw/zinc/11/05/62/802110562.db2.gz MKQPSSCRTIMWOI-VXGBXAGGSA-N 2 2 294.355 0.034 20 0 CCADLP O=C(NCCC[NH2+]CCF)[C@H]1CCc2[nH+]ccn2C1 ZINC001161301658 802122070 /nfs/dbraw/zinc/12/20/70/802122070.db2.gz VOIDAYGSWNDOSJ-NSHDSACASA-N 2 2 268.336 0.511 20 0 CCADLP C[C@H](O)C[N@H+]1CC=C(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001161336135 802131316 /nfs/dbraw/zinc/13/13/16/802131316.db2.gz LOFXUEHKONKYBL-LBPRGKRZSA-N 2 2 292.383 0.471 20 0 CCADLP C[C@H](O)C[N@@H+]1CC=C(CCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001161336135 802131320 /nfs/dbraw/zinc/13/13/20/802131320.db2.gz LOFXUEHKONKYBL-LBPRGKRZSA-N 2 2 292.383 0.471 20 0 CCADLP C[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCCC2)C(F)(F)C1 ZINC001161472808 802159479 /nfs/dbraw/zinc/15/94/79/802159479.db2.gz ZKAQSDLEZVDTKQ-NXEZZACHSA-N 2 2 261.316 0.666 20 0 CCADLP [NH3+]C1CC[NH+](CCNc2nccc3c2NC(=O)CO3)CC1 ZINC001161867530 802234292 /nfs/dbraw/zinc/23/42/92/802234292.db2.gz ISQMUWZFIZMTFF-UHFFFAOYSA-N 2 2 291.355 0.248 20 0 CCADLP C[C@@]1([NH3+])C[C@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)C1 ZINC001162329020 802321289 /nfs/dbraw/zinc/32/12/89/802321289.db2.gz WRAJCCFNEIXDIB-VDISTLRHSA-N 3 2 261.373 0.783 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]([NH3+])CNc1cc(N)cc[nH+]1 ZINC001162849980 802429220 /nfs/dbraw/zinc/42/92/20/802429220.db2.gz STBCHIQRFVAIFL-VIFPVBQESA-N 2 2 252.318 0.745 20 0 CCADLP CC[C@H](CO)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001163045250 802466408 /nfs/dbraw/zinc/46/64/08/802466408.db2.gz PKTBPEJRCPQUOC-LLVKDONJSA-N 2 2 250.346 0.674 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCCC[NH2+]C[C@@H]1CCOC1 ZINC001163051316 802468664 /nfs/dbraw/zinc/46/86/64/802468664.db2.gz WGFPXVPQXPHFPT-ZDUSSCGKSA-N 2 2 294.399 0.485 20 0 CCADLP Nc1nc(Nc2ccc([C@H](C[NH3+])CO)cc2)cc[nH+]1 ZINC001163052100 802469594 /nfs/dbraw/zinc/46/95/94/802469594.db2.gz FVTYYEQJEUCTHG-SNVBAGLBSA-N 2 2 259.313 0.837 20 0 CCADLP Fc1c[nH+]ccc1NCC[C@H]1CCOC12C[NH2+]C2 ZINC001163088853 802478724 /nfs/dbraw/zinc/47/87/24/802478724.db2.gz ICSPQUODUBRVNH-JTQLQIEISA-N 2 2 251.305 0.823 20 0 CCADLP Nc1[nH+]ccc(F)c1NCC[C@H]1CCOC12C[NH2+]C2 ZINC001163089022 802478894 /nfs/dbraw/zinc/47/88/94/802478894.db2.gz JKYYMVTYIMSVSJ-VIFPVBQESA-N 2 2 266.320 0.983 20 0 CCADLP Nc1[nH+]ccc(F)c1NC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001163101929 802482790 /nfs/dbraw/zinc/48/27/90/802482790.db2.gz ZMDNXGFRIZXOMB-NQMVMOMDSA-N 2 2 252.293 0.449 20 0 CCADLP CCOC(=O)[C@@H]([NH3+])Cc1cn(-c2cc(N)c(C)c[nH+]2)cn1 ZINC001163416753 802552943 /nfs/dbraw/zinc/55/29/43/802552943.db2.gz XEOUSQSOWISFLJ-LBPRGKRZSA-N 2 2 289.339 0.591 20 0 CCADLP O=C(CCn1cc[nH+]c1)NCCC[NH2+]CCOC1CCC1 ZINC001163594401 802574233 /nfs/dbraw/zinc/57/42/33/802574233.db2.gz YANGWVBKTKJTCJ-UHFFFAOYSA-N 2 2 294.399 0.938 20 0 CCADLP COCCC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001264712549 809674378 /nfs/dbraw/zinc/67/43/78/809674378.db2.gz GJMFMWSWASMUML-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP COCCC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H]1C ZINC001264712549 809674382 /nfs/dbraw/zinc/67/43/82/809674382.db2.gz GJMFMWSWASMUML-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP C[C@@H]1[C@H](CO)CCN1c1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC001164056569 802662549 /nfs/dbraw/zinc/66/25/49/802662549.db2.gz SRWZXGBOHBXGLL-OLZOCXBDSA-N 2 2 276.384 0.698 20 0 CCADLP C[NH+](C)C1(CNc2cnnnc2)CC[NH+](C)CC1 ZINC001164213078 802689427 /nfs/dbraw/zinc/68/94/27/802689427.db2.gz NGOVJKCOEYXPAR-UHFFFAOYSA-N 2 2 250.350 0.310 20 0 CCADLP C[NH+](C)C1(CNc2cnc(C(N)=O)nc2)CC[NH+](C)CC1 ZINC001164213578 802689902 /nfs/dbraw/zinc/68/99/02/802689902.db2.gz XBARTTYNFQQKAM-UHFFFAOYSA-N 2 2 292.387 0.013 20 0 CCADLP FC1(F)C[NH2+]CCN(c2ccc3c(n2)CC[NH2+]C3)C1 ZINC001164488543 802748162 /nfs/dbraw/zinc/74/81/62/802748162.db2.gz GIMKVYFOXPBFPD-UHFFFAOYSA-N 2 2 268.311 0.772 20 0 CCADLP FC1(F)C[NH2+]CCN(c2ncc3c(n2)CC[NH2+]C3)C1 ZINC001164488570 802748556 /nfs/dbraw/zinc/74/85/56/802748556.db2.gz HCEVDVDWZMWRET-UHFFFAOYSA-N 2 2 269.299 0.167 20 0 CCADLP CN(C)c1cc(N2C[C@@H]3C[C@]3(C[NH+](C)C)C2)nc[nH+]1 ZINC001165181437 802793182 /nfs/dbraw/zinc/79/31/82/802793182.db2.gz NKFNCJKCPODOCU-FZMZJTMJSA-N 2 2 261.373 0.931 20 0 CCADLP CN(C)c1cc(N2C[C@@H]3C[C@]3(C[NH+](C)C)C2)[nH+]cn1 ZINC001165181437 802793186 /nfs/dbraw/zinc/79/31/86/802793186.db2.gz NKFNCJKCPODOCU-FZMZJTMJSA-N 2 2 261.373 0.931 20 0 CCADLP C[C@H]1NC=C2C(=O)OCCC2=C1C[NH+]1CC(C)(C[NH3+])C1 ZINC001206711066 802874590 /nfs/dbraw/zinc/87/45/90/802874590.db2.gz DVHNBBBMDSLDOF-SNVBAGLBSA-N 2 2 277.368 0.386 20 0 CCADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925847989 812451627 /nfs/dbraw/zinc/45/16/27/812451627.db2.gz XOJOSTPBXSFOJY-GJZGRUSLSA-N 3 2 268.449 0.650 20 0 CCADLP [NH3+][C@H]1CCN(c2cc[nH+]c(N3CCOCC3)n2)CC1(F)F ZINC001166958595 802994323 /nfs/dbraw/zinc/99/43/23/802994323.db2.gz GCZGKMFGEXLRDL-JTQLQIEISA-N 2 2 299.325 0.486 20 0 CCADLP COCC[NH2+]C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001203336908 803026242 /nfs/dbraw/zinc/02/62/42/803026242.db2.gz AXRXUYADGKWPIS-UHFFFAOYSA-N 2 2 294.399 0.914 20 0 CCADLP Cn1c[nH+]cc1CN1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001204389272 803082660 /nfs/dbraw/zinc/08/26/60/803082660.db2.gz PKSFRAKEGAFPQZ-AWEZNQCLSA-N 2 2 264.373 0.717 20 0 CCADLP CCN(CC)c1ncc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)s1 ZINC001206467930 803247166 /nfs/dbraw/zinc/24/71/66/803247166.db2.gz DRARBJUFLGNDOU-CMPLNLGQSA-N 2 2 284.429 0.741 20 0 CCADLP CCN(CC)c1ncc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)s1 ZINC001206467930 803247172 /nfs/dbraw/zinc/24/71/72/803247172.db2.gz DRARBJUFLGNDOU-CMPLNLGQSA-N 2 2 284.429 0.741 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2ccc(O)cc2Cl)C[C@H]1O ZINC001206468534 803248554 /nfs/dbraw/zinc/24/85/54/803248554.db2.gz KCOLLUDXQBFXLN-JOYOIKCWSA-N 2 2 256.733 0.797 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(O)cc2Cl)C[C@H]1O ZINC001206468534 803248561 /nfs/dbraw/zinc/24/85/61/803248561.db2.gz KCOLLUDXQBFXLN-JOYOIKCWSA-N 2 2 256.733 0.797 20 0 CCADLP Cc1cc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cnc1OC(C)C ZINC001206491300 803253066 /nfs/dbraw/zinc/25/30/66/803253066.db2.gz JUGXZRQCPNMMCY-UONOGXRCSA-N 2 2 279.384 0.929 20 0 CCADLP Cc1cc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cnc1OC(C)C ZINC001206491300 803253072 /nfs/dbraw/zinc/25/30/72/803253072.db2.gz JUGXZRQCPNMMCY-UONOGXRCSA-N 2 2 279.384 0.929 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2ccnc(OC(F)F)c2)C[C@H]1O ZINC001206492566 803254370 /nfs/dbraw/zinc/25/43/70/803254370.db2.gz XDFXESDJKOCRNL-VHSXEESVSA-N 2 2 273.283 0.434 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2ccnc(OC(F)F)c2)C[C@H]1O ZINC001206492566 803254375 /nfs/dbraw/zinc/25/43/75/803254375.db2.gz XDFXESDJKOCRNL-VHSXEESVSA-N 2 2 273.283 0.434 20 0 CCADLP [NH3+]C[C@H]1C[N@H+](Cc2c(Cl)[nH]c3cnccc32)C[C@@H]1O ZINC001206535494 803262800 /nfs/dbraw/zinc/26/28/00/803262800.db2.gz KPLQMWANDLIZAI-UFBFGSQYSA-N 2 2 280.759 0.968 20 0 CCADLP [NH3+]C[C@H]1C[N@@H+](Cc2c(Cl)[nH]c3cnccc32)C[C@@H]1O ZINC001206535494 803262803 /nfs/dbraw/zinc/26/28/03/803262803.db2.gz KPLQMWANDLIZAI-UFBFGSQYSA-N 2 2 280.759 0.968 20 0 CCADLP C[N@H+](C1CN(CC(C)(C)[NH+]2CCOCC2)C1)[C@@H]1CCOC1 ZINC001207304218 803380990 /nfs/dbraw/zinc/38/09/90/803380990.db2.gz MOUQSWHSTXKPDE-CQSZACIVSA-N 2 2 297.443 0.502 20 0 CCADLP C[N@@H+](C1CN(CC(C)(C)[NH+]2CCOCC2)C1)[C@@H]1CCOC1 ZINC001207304218 803380999 /nfs/dbraw/zinc/38/09/99/803380999.db2.gz MOUQSWHSTXKPDE-CQSZACIVSA-N 2 2 297.443 0.502 20 0 CCADLP CC[N@@H+]1CCO[C@@H]2C[NH+](C[C@@H]3CCCO3)C[C@@H]2C1 ZINC001207852813 803457376 /nfs/dbraw/zinc/45/73/76/803457376.db2.gz QUUQCQLBTPZFSN-MELADBBJSA-N 2 2 254.374 0.818 20 0 CCADLP CC[N@H+]1CCO[C@@H]2C[NH+](C[C@@H]3CCCO3)C[C@@H]2C1 ZINC001207852813 803457379 /nfs/dbraw/zinc/45/73/79/803457379.db2.gz QUUQCQLBTPZFSN-MELADBBJSA-N 2 2 254.374 0.818 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@H+](C[C@@H]3CCCO3)C[C@@H]2C1 ZINC001207852813 803457381 /nfs/dbraw/zinc/45/73/81/803457381.db2.gz QUUQCQLBTPZFSN-MELADBBJSA-N 2 2 254.374 0.818 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C1 ZINC001207852813 803457385 /nfs/dbraw/zinc/45/73/85/803457385.db2.gz QUUQCQLBTPZFSN-MELADBBJSA-N 2 2 254.374 0.818 20 0 CCADLP C[NH+]1CCN(C2C[NH+](C[C@@H]3CCCCO3)C2)CC1 ZINC001207961765 803472172 /nfs/dbraw/zinc/47/21/72/803472172.db2.gz AWKITTZYGDZDHG-AWEZNQCLSA-N 2 2 253.390 0.487 20 0 CCADLP C[N@@H+]1CCC[C@H](C[NH+]2C[C@](O)(C(F)(F)F)C[C@H]2CO)C1 ZINC001208608172 803528944 /nfs/dbraw/zinc/52/89/44/803528944.db2.gz QVXNVYMFALMMEN-SRVKXCTJSA-N 2 2 296.333 0.688 20 0 CCADLP C[N@H+]1CCC[C@H](C[NH+]2C[C@](O)(C(F)(F)F)C[C@H]2CO)C1 ZINC001208608172 803528948 /nfs/dbraw/zinc/52/89/48/803528948.db2.gz QVXNVYMFALMMEN-SRVKXCTJSA-N 2 2 296.333 0.688 20 0 CCADLP C[NH+]1CCC[C@H](C[N@@H+]2C[C@](O)(C(F)(F)F)C[C@H]2CO)C1 ZINC001208608172 803528953 /nfs/dbraw/zinc/52/89/53/803528953.db2.gz QVXNVYMFALMMEN-SRVKXCTJSA-N 2 2 296.333 0.688 20 0 CCADLP C[NH+]1CCC[C@H](C[N@H+]2C[C@](O)(C(F)(F)F)C[C@H]2CO)C1 ZINC001208608172 803528957 /nfs/dbraw/zinc/52/89/57/803528957.db2.gz QVXNVYMFALMMEN-SRVKXCTJSA-N 2 2 296.333 0.688 20 0 CCADLP C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ncc(O)cn3)CC2)C1 ZINC001208614404 803530097 /nfs/dbraw/zinc/53/00/97/803530097.db2.gz DFMCRAWHKFDVRX-ZDUSSCGKSA-N 2 2 291.399 0.646 20 0 CCADLP C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ncc(O)cn3)CC2)C1 ZINC001208614404 803530099 /nfs/dbraw/zinc/53/00/99/803530099.db2.gz DFMCRAWHKFDVRX-ZDUSSCGKSA-N 2 2 291.399 0.646 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001208848701 803549188 /nfs/dbraw/zinc/54/91/88/803549188.db2.gz JYSFTRAHRSJTTJ-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N[C@H](C[NH2+]CCF)C1CC1 ZINC001276595310 803549987 /nfs/dbraw/zinc/54/99/87/803549987.db2.gz MWVOBUUXORTRID-GFCCVEGCSA-N 2 2 268.336 0.796 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N[C@H](C[NH2+]CCF)C1CC1 ZINC001276595310 803549991 /nfs/dbraw/zinc/54/99/91/803549991.db2.gz MWVOBUUXORTRID-GFCCVEGCSA-N 2 2 268.336 0.796 20 0 CCADLP CC(C)[N@@H+]1CCN(CC[NH+]2CCOCC2)C[C@@H]1C ZINC001209296431 803587688 /nfs/dbraw/zinc/58/76/88/803587688.db2.gz QHKIMHVPDFPYMV-AWEZNQCLSA-N 2 2 255.406 0.733 20 0 CCADLP CC(C)[N@H+]1CCN(CC[NH+]2CCOCC2)C[C@@H]1C ZINC001209296431 803587692 /nfs/dbraw/zinc/58/76/92/803587692.db2.gz QHKIMHVPDFPYMV-AWEZNQCLSA-N 2 2 255.406 0.733 20 0 CCADLP COCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001209337400 803596929 /nfs/dbraw/zinc/59/69/29/803596929.db2.gz PSRVSQGRDIFEDH-YRGRVCCFSA-N 2 2 294.399 0.671 20 0 CCADLP COCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001209337400 803596933 /nfs/dbraw/zinc/59/69/33/803596933.db2.gz PSRVSQGRDIFEDH-YRGRVCCFSA-N 2 2 294.399 0.671 20 0 CCADLP COCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001209337400 803596936 /nfs/dbraw/zinc/59/69/36/803596936.db2.gz PSRVSQGRDIFEDH-YRGRVCCFSA-N 2 2 294.399 0.671 20 0 CCADLP COCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001209337400 803596940 /nfs/dbraw/zinc/59/69/40/803596940.db2.gz PSRVSQGRDIFEDH-YRGRVCCFSA-N 2 2 294.399 0.671 20 0 CCADLP C[C@H]1C[C@H]1C[NH+]1CCN(CC[NH+]2CCOCC2)CC1 ZINC001209422410 803602987 /nfs/dbraw/zinc/60/29/87/803602987.db2.gz YKRQUFQVMGJTDI-GJZGRUSLSA-N 2 2 267.417 0.592 20 0 CCADLP Nc1cc[nH+]cc1C[N@@H+]1CCC[C@@H](NC(=O)C2CC2)C1 ZINC001209732576 803626467 /nfs/dbraw/zinc/62/64/67/803626467.db2.gz JBELCXMULANRCX-CYBMUJFWSA-N 2 2 274.368 0.985 20 0 CCADLP Nc1cc[nH+]cc1C[N@H+]1CCC[C@@H](NC(=O)C2CC2)C1 ZINC001209732576 803626474 /nfs/dbraw/zinc/62/64/74/803626474.db2.gz JBELCXMULANRCX-CYBMUJFWSA-N 2 2 274.368 0.985 20 0 CCADLP CC(C)(C(=O)N1CCC[C@@H]([NH2+]CCCO)C1)c1c[nH+]c[nH]1 ZINC001210667438 803656639 /nfs/dbraw/zinc/65/66/39/803656639.db2.gz GESIZYXRPBZJFS-GFCCVEGCSA-N 2 2 294.399 0.650 20 0 CCADLP COCC[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001210898818 803663881 /nfs/dbraw/zinc/66/38/81/803663881.db2.gz CRAKBYAZYNXGJC-CYBMUJFWSA-N 2 2 294.399 0.580 20 0 CCADLP c1cn(CCN2CC3(C2)C[NH+](C[C@H]2CCCOC2)C3)c[nH+]1 ZINC001276719281 803784314 /nfs/dbraw/zinc/78/43/14/803784314.db2.gz NJROMGSGDLQMHG-OAHLLOKOSA-N 2 2 290.411 0.927 20 0 CCADLP C[C@@H]1CCC[N@@H+]1CCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000897517762 814966989 /nfs/dbraw/zinc/96/69/89/814966989.db2.gz CHXCNTJEFWRYAY-NEPJUHHUSA-N 2 2 277.372 0.591 20 0 CCADLP C[C@@H]1CCC[N@H+]1CCNC(=O)N[C@H]1Cc2c[nH+]cn2C1 ZINC000897517762 814966992 /nfs/dbraw/zinc/96/69/92/814966992.db2.gz CHXCNTJEFWRYAY-NEPJUHHUSA-N 2 2 277.372 0.591 20 0 CCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]CCCF ZINC001217001428 803861566 /nfs/dbraw/zinc/86/15/66/803861566.db2.gz VIEGOCOZHSLPIC-VXGBXAGGSA-N 2 2 268.336 0.679 20 0 CCADLP C[C@@H]1C[N@@H+](CCc2nnc([C@@H]3C[C@@H](O)C[NH2+]3)o2)C[C@H](C)O1 ZINC001217696072 803901472 /nfs/dbraw/zinc/90/14/72/803901472.db2.gz ZBQZVJBDGTWLTG-KXNHARMFSA-N 2 2 296.371 0.117 20 0 CCADLP C[C@@H]1C[N@H+](CCc2nnc([C@@H]3C[C@@H](O)C[NH2+]3)o2)C[C@H](C)O1 ZINC001217696072 803901478 /nfs/dbraw/zinc/90/14/78/803901478.db2.gz ZBQZVJBDGTWLTG-KXNHARMFSA-N 2 2 296.371 0.117 20 0 CCADLP Cc1cccc2nc(NC(=O)C[NH2+]CCC[NH3+])[nH]c21 ZINC001218502052 803968811 /nfs/dbraw/zinc/96/88/11/803968811.db2.gz OWOWKNGDTSNYID-UHFFFAOYSA-N 2 2 261.329 0.748 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1nc2c(s1)CCC2 ZINC001218518521 803982236 /nfs/dbraw/zinc/98/22/36/803982236.db2.gz PJHFRIWDXNPQNI-MRVPVSSYSA-N 2 2 277.353 0.863 20 0 CCADLP [NH3+][C@@H]1CCc2nc(NC(=O)C3(F)C[NH2+]C3)sc2C1 ZINC001218532412 803991420 /nfs/dbraw/zinc/99/14/20/803991420.db2.gz HCNBQGYUTTYADU-ZCFIWIBFSA-N 2 2 270.333 0.209 20 0 CCADLP Cc1ccc(O)c(NC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H]([NH3+])C3)n1 ZINC001218564731 804009878 /nfs/dbraw/zinc/00/98/78/804009878.db2.gz NLDNZERKQBFCPC-KKFJDGPESA-N 2 2 262.313 0.256 20 0 CCADLP Cn1cc(NC(=O)C2([NH3+])CC[NH2+]CC2)c(C(F)(F)F)n1 ZINC001218597932 804029481 /nfs/dbraw/zinc/02/94/81/804029481.db2.gz AAVNSZTZLQQMMW-UHFFFAOYSA-N 2 2 291.277 0.458 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1cc(-c2ccncc2)no1 ZINC001218626404 804042769 /nfs/dbraw/zinc/04/27/69/804042769.db2.gz IBUXYBVYPUUQRM-LLVKDONJSA-N 2 2 298.306 0.968 20 0 CCADLP COc1nc(Cl)ncc1NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001218634767 804049883 /nfs/dbraw/zinc/04/98/83/804049883.db2.gz NGCFGKBRIVHDBE-ZETCQYMHSA-N 2 2 296.718 0.370 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2cnccc2OC(F)F)C1 ZINC001218739833 804101995 /nfs/dbraw/zinc/10/19/95/804101995.db2.gz KNXJQSYMSHOMRK-RQJHMYQMSA-N 2 2 272.255 0.311 20 0 CCADLP Cc1cnn(Cc2ccccn2)c1NC(=O)[C@@H]([NH3+])CC[NH3+] ZINC001218741790 804103805 /nfs/dbraw/zinc/10/38/05/804103805.db2.gz SLKIUWZWKKJINX-LBPRGKRZSA-N 2 2 288.355 0.249 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)Nc2nc(F)c(F)c(Cl)c2F)C1 ZINC001218756328 804110939 /nfs/dbraw/zinc/11/09/39/804110939.db2.gz KGNKIRXIMPBXMS-DMTCNVIQSA-N 2 2 294.664 0.780 20 0 CCADLP O=C(C[C@@H]1COCC[NH2+]1)Nc1ccn2cc[nH+]c2c1 ZINC001218787723 804119431 /nfs/dbraw/zinc/11/94/31/804119431.db2.gz JKRHMHSGGVKQRD-LLVKDONJSA-N 2 2 260.297 0.651 20 0 CCADLP [NH3+]CCCC[C@H]([NH3+])CC(=O)Nc1ccc2nn[nH]c2c1 ZINC001218877040 804144256 /nfs/dbraw/zinc/14/42/56/804144256.db2.gz OIEJPEYDZKHRCM-VIFPVBQESA-N 2 2 276.344 0.743 20 0 CCADLP O=C(C[NH2+]C1CC[NH2+]CC1)Nc1cccc2n[nH]cc21 ZINC001218896098 804150983 /nfs/dbraw/zinc/15/09/83/804150983.db2.gz NLTNTIRVVFJGIT-UHFFFAOYSA-N 2 2 273.340 0.843 20 0 CCADLP [NH3+][C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc2c(c1)CCO2 ZINC001218914009 804156652 /nfs/dbraw/zinc/15/66/52/804156652.db2.gz AOZOETYPJHXXPB-GFCCVEGCSA-N 2 2 272.308 0.853 20 0 CCADLP CC(=O)Oc1ccc(NC(=O)C[NH2+]C2CC[NH2+]CC2)cc1 ZINC001219102023 804197538 /nfs/dbraw/zinc/19/75/38/804197538.db2.gz PRLCSHMAGQXGGP-UHFFFAOYSA-N 2 2 291.351 0.892 20 0 CCADLP COc1cnc2c(cccc2NC(=O)[C@@H]([NH3+])CC[NH3+])c1 ZINC001219179984 804226589 /nfs/dbraw/zinc/22/65/89/804226589.db2.gz ILGLYQJLTHLBMA-NSHDSACASA-N 2 2 274.324 0.858 20 0 CCADLP COCCNc1cccc(F)c1NC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+] ZINC001219297067 804260949 /nfs/dbraw/zinc/26/09/49/804260949.db2.gz HNIGMUJFJCAWGV-ONGXEEELSA-N 2 2 296.346 0.369 20 0 CCADLP COCCOc1c(F)cccc1NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1 ZINC001219307251 804265763 /nfs/dbraw/zinc/26/57/63/804265763.db2.gz SNKFHNUSODZPBJ-SKDRFNHKSA-N 2 2 297.330 0.479 20 0 CCADLP Cc1cc(N)ccc1NC(=O)[C@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001219319428 804270673 /nfs/dbraw/zinc/27/06/73/804270673.db2.gz ZLSSGCQAGUFDDK-CYBMUJFWSA-N 2 2 291.399 0.266 20 0 CCADLP [NH3+]CC[C@H]([NH3+])C(=O)Nc1c(F)cccc1OC1COC1 ZINC001219382445 804292150 /nfs/dbraw/zinc/29/21/50/804292150.db2.gz RATZIQSUOOFKQC-JTQLQIEISA-N 2 2 283.303 0.218 20 0 CCADLP C[NH2+][C@@H](CC(=O)OC(C)(C)C)C(=O)NCCn1cc[nH+]c1 ZINC001219563733 804350936 /nfs/dbraw/zinc/35/09/36/804350936.db2.gz KBRATWVOSFNRQU-NSHDSACASA-N 2 2 296.371 0.319 20 0 CCADLP [NH3+][C@H](C(=O)NCCn1cc[nH+]c1)C1CCCCC1 ZINC001219563884 804352303 /nfs/dbraw/zinc/35/23/03/804352303.db2.gz LYMWAQIUCCCTCQ-LBPRGKRZSA-N 2 2 250.346 0.907 20 0 CCADLP C[C@@H]1CCCC[C@H]1CNC(=O)[C@@H](N)C[NH+]1CCC([NH3+])CC1 ZINC001219673199 804402424 /nfs/dbraw/zinc/40/24/24/804402424.db2.gz FYZHAHCFSQJVKX-IPYPFGDCSA-N 2 2 296.459 0.679 20 0 CCADLP CC(C)(NC(=O)C1([NH3+])CC[NH2+]CC1)C(=O)c1ccccc1 ZINC001219693089 804407074 /nfs/dbraw/zinc/40/70/74/804407074.db2.gz NAMMKZTUXLIEQR-UHFFFAOYSA-N 2 2 289.379 0.845 20 0 CCADLP Cn1c(CNC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])ccc1C(F)(F)F ZINC001219698454 804408037 /nfs/dbraw/zinc/40/80/37/804408037.db2.gz BARFMLYXZQRMJP-IUCAKERBSA-N 2 2 290.289 0.207 20 0 CCADLP [NH3+]C[C@H]([NH3+])c1ccc(C(=O)NC[C@]2(F)CCC[NH2+]C2)cc1 ZINC001219770533 804419923 /nfs/dbraw/zinc/41/99/23/804419923.db2.gz AGHRKQXQOULHDA-ZFWWWQNUSA-N 3 2 294.374 0.467 20 0 CCADLP CCCCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001219774556 804421815 /nfs/dbraw/zinc/42/18/15/804421815.db2.gz SIQXSYBIHMJCEE-KGLIPLIRSA-N 2 2 294.399 0.694 20 0 CCADLP CCCCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](O)C1 ZINC001219774556 804421817 /nfs/dbraw/zinc/42/18/17/804421817.db2.gz SIQXSYBIHMJCEE-KGLIPLIRSA-N 2 2 294.399 0.694 20 0 CCADLP CCCCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001219774556 804421820 /nfs/dbraw/zinc/42/18/20/804421820.db2.gz SIQXSYBIHMJCEE-KGLIPLIRSA-N 2 2 294.399 0.694 20 0 CCADLP CCCCC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](O)C1 ZINC001219774556 804421822 /nfs/dbraw/zinc/42/18/22/804421822.db2.gz SIQXSYBIHMJCEE-KGLIPLIRSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@H](C[NH+](C)C)NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001219915969 804446711 /nfs/dbraw/zinc/44/67/11/804446711.db2.gz GDSIQOQFCLFEIR-MFKMUULPSA-N 3 2 264.373 0.325 20 0 CCADLP Cc1c[nH]c(CCNC(=O)C[C@@H]2CCC[NH2+]C2)[nH+]1 ZINC001219952524 804456359 /nfs/dbraw/zinc/45/63/59/804456359.db2.gz XFHMUJTUUWVGJG-NSHDSACASA-N 2 2 250.346 0.767 20 0 CCADLP CNc1ccc(CNC(=O)[C@@]23C[NH2+]C[C@H]2CC[NH2+]3)cc1 ZINC001219954051 804456500 /nfs/dbraw/zinc/45/65/00/804456500.db2.gz BDBTUPABUAYJBH-IUODEOHRSA-N 2 2 274.368 0.296 20 0 CCADLP C[NH2+][C@@H](CCCC[NH3+])C(=O)NCCc1[nH]cc(C)[nH+]1 ZINC001219952354 804456815 /nfs/dbraw/zinc/45/68/15/804456815.db2.gz UHLRGHRHHQTCLS-NSHDSACASA-N 3 2 267.377 0.094 20 0 CCADLP COC(=O)CCCCCNC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC001220048264 804485040 /nfs/dbraw/zinc/48/50/40/804485040.db2.gz LUXFXECGFJTOAV-LLVKDONJSA-N 2 2 282.344 0.129 20 0 CCADLP C[NH2+]CCNC(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC001220051197 804485863 /nfs/dbraw/zinc/48/58/63/804485863.db2.gz NYBSIIMVTMUWJV-LBPRGKRZSA-N 2 2 262.357 0.634 20 0 CCADLP O=C(N[C@H]1CCC[C@]2(CC[NH2+]C2)C1)C1(F)C[NH2+]C1 ZINC001220158848 804521033 /nfs/dbraw/zinc/52/10/33/804521033.db2.gz IVEMIBJSGKMYIV-JQWIXIFHSA-N 2 2 255.337 0.336 20 0 CCADLP [NH3+]C[C@@H]([NH3+])c1ccc(C(=O)NCC2CC(=O)C2)cc1 ZINC001220179465 804529410 /nfs/dbraw/zinc/52/94/10/804529410.db2.gz LSBCDLHDFSFDBI-CYBMUJFWSA-N 2 2 261.325 0.354 20 0 CCADLP [NH3+]CCCC[C@H]([NH3+])CC(=O)NC[C@@H]1CC[NH2+]CC1(F)F ZINC001220188746 804532640 /nfs/dbraw/zinc/53/26/40/804532640.db2.gz HDBUKRKEKRFPLB-QWRGUYRKSA-N 3 2 292.374 0.194 20 0 CCADLP [NH3+][C@H](C(=O)NCC1([NH+]2CCCC2)COC1)c1ccsc1 ZINC001220197535 804534498 /nfs/dbraw/zinc/53/44/98/804534498.db2.gz IPNZQZCZJCZZOI-LBPRGKRZSA-N 2 2 295.408 0.729 20 0 CCADLP CCOC(=O)C1=C(NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)CCCC1 ZINC001220216955 804539561 /nfs/dbraw/zinc/53/95/61/804539561.db2.gz GGFHJMFPFFPEIH-SKDRFNHKSA-N 2 2 281.356 0.183 20 0 CCADLP C[C@H](CCCC(C)(C)O)NC(=O)[C@]12C[NH2+]C[C@H]1CC[NH2+]2 ZINC001220243692 804547140 /nfs/dbraw/zinc/54/71/40/804547140.db2.gz WOHHTRNMNUVIGS-JMSVASOKSA-N 2 2 283.416 0.384 20 0 CCADLP COCCn1c[nH+]cc1CNC(=O)[C@@H]([NH3+])COC(C)(C)C ZINC001220274937 804558169 /nfs/dbraw/zinc/55/81/69/804558169.db2.gz RWXSXNWEURUFDQ-LBPRGKRZSA-N 2 2 298.387 0.288 20 0 CCADLP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH2+]C[C@@H]2[NH3+])c2ccccc21 ZINC001220331741 804577004 /nfs/dbraw/zinc/57/70/04/804577004.db2.gz CCXJWEZMTFEDSR-IGJVIKARSA-N 2 2 259.353 0.898 20 0 CCADLP C[C@H](NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1)c1cnccn1 ZINC001220370743 804584842 /nfs/dbraw/zinc/58/48/42/804584842.db2.gz BWCHKGWTFGHCCX-GWCFXTLKSA-N 2 2 285.351 0.926 20 0 CCADLP O=C(NCCc1c[nH]c2cccnc12)[C@@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220384058 804590914 /nfs/dbraw/zinc/59/09/14/804590914.db2.gz IJCQPTKEYOAXDG-BLLLJJGKSA-N 2 2 299.378 0.173 20 0 CCADLP COc1cc(OC)cc([C@H](C)NC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)c1 ZINC001220573202 804627739 /nfs/dbraw/zinc/62/77/39/804627739.db2.gz HWSWWPSQBQPNGH-PXWWUCIGSA-N 2 2 293.367 0.570 20 0 CCADLP CCCCC[C@H]([NH2+]C)C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001220571610 804627793 /nfs/dbraw/zinc/62/77/93/804627793.db2.gz VJFGXNDGADWQAI-ZDUSSCGKSA-N 2 2 283.416 0.603 20 0 CCADLP N=C(NC(=O)[C@@H]1C[C@@H]([NH3+])C[NH2+]1)c1ccc2ccccc2n1 ZINC001220596883 804635080 /nfs/dbraw/zinc/63/50/80/804635080.db2.gz LUKVOXPZENUTAF-MFKMUULPSA-N 2 2 283.335 0.366 20 0 CCADLP O=C(N[C@@H]1CNc2ccccc2C1)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2 ZINC001220599217 804635938 /nfs/dbraw/zinc/63/59/38/804635938.db2.gz PNYWHKQSZOOATN-XEZPLFJOSA-N 2 2 286.379 0.091 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CNc2ccccc2C1 ZINC001220598834 804636130 /nfs/dbraw/zinc/63/61/30/804636130.db2.gz FBSQDSRRNCZNGX-OLZOCXBDSA-N 2 2 285.351 0.433 20 0 CCADLP N=C(NC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2[NH2+]1)c1cccnc1Cl ZINC001220660484 804643960 /nfs/dbraw/zinc/64/39/60/804643960.db2.gz HSJUZCWJLDVVJK-UJNFCWOMSA-N 2 2 293.758 0.126 20 0 CCADLP CCOC(=O)[C@H](NC(=O)[C@]12C[NH2+]C[C@@H]1CC[NH2+]2)[C@@H](C)CC ZINC001220666508 804645541 /nfs/dbraw/zinc/64/55/41/804645541.db2.gz ZNPCWYXFASYHKV-OHTBPHCPSA-N 2 2 297.399 0.032 20 0 CCADLP C[C@@](CO)(NC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H]([NH3+])C2)c1ccccc1 ZINC001220711840 804653468 /nfs/dbraw/zinc/65/34/68/804653468.db2.gz SCDGIXGZYKUNPA-VDERGJSUSA-N 2 2 289.379 0.232 20 0 CCADLP C[C@H]1COCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])CC1CCC1 ZINC001220724059 804656998 /nfs/dbraw/zinc/65/69/98/804656998.db2.gz CVSZILTUMFUUFJ-AAEUAGOBSA-N 2 2 269.389 0.341 20 0 CCADLP C[C@H]1COCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CC1CCC1 ZINC001220724059 804657002 /nfs/dbraw/zinc/65/70/02/804657002.db2.gz CVSZILTUMFUUFJ-AAEUAGOBSA-N 2 2 269.389 0.341 20 0 CCADLP [NH3+][C@H]1C[NH2+][C@H](C(=O)NCc2ccc(C3OCCO3)cc2)C1 ZINC001220838486 804678787 /nfs/dbraw/zinc/67/87/87/804678787.db2.gz ROHMEVYEWLJQNA-OLZOCXBDSA-N 2 2 291.351 0.037 20 0 CCADLP CC(C)(C)[C@H](C[NH3+])NC(=O)c1ccc([C@@H]([NH3+])C[NH3+])cc1 ZINC001220862071 804683064 /nfs/dbraw/zinc/68/30/64/804683064.db2.gz OGOLFGLVULGTHE-STQMWFEESA-N 3 2 278.400 0.748 20 0 CCADLP CC1(C)C[C@H](CNC(=O)C2([NH3+])CC[NH2+]CC2)CCO1 ZINC001220953397 804706383 /nfs/dbraw/zinc/70/63/83/804706383.db2.gz PKYVNEIAUDKEQH-LLVKDONJSA-N 2 2 269.389 0.389 20 0 CCADLP Cc1cccc(C(C)(C)CNC(=O)[C@@H]2C[C@@H]([NH3+])C[NH2+]2)n1 ZINC001220996657 804715274 /nfs/dbraw/zinc/71/52/74/804715274.db2.gz FIHNIUVMPIGAJV-NEPJUHHUSA-N 2 2 276.384 0.473 20 0 CCADLP CC(C)CC1(NC(=O)[C@@]23C[NH2+]C[C@@H]2CC[NH2+]3)CCOCC1 ZINC001221000928 804715902 /nfs/dbraw/zinc/71/59/02/804715902.db2.gz HUBOEZLLXBRKCJ-XJKSGUPXSA-N 2 2 295.427 0.649 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1C(=O)N[C@H](c1ccnc(F)c1)C1CC1 ZINC001221053569 804725137 /nfs/dbraw/zinc/72/51/37/804725137.db2.gz FTUCDMDVFQEVRF-GVXVVHGQSA-N 2 2 278.331 0.335 20 0 CCADLP [NH3+]CCN(C(=O)C1([NH3+])CC[NH2+]CC1)c1ccc(F)cc1 ZINC001221060547 804725198 /nfs/dbraw/zinc/72/51/98/804725198.db2.gz DZDYGLWWOMXKHO-UHFFFAOYSA-N 3 2 280.347 0.198 20 0 CCADLP [NH3+][C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCc1ccc(CO)cc1 ZINC001221190270 804741992 /nfs/dbraw/zinc/74/19/92/804741992.db2.gz GYWUSAWGCMVPEZ-AWEZNQCLSA-N 2 2 288.351 0.131 20 0 CCADLP CC(C)[PH+](CCNC(=O)[C@H]1C[NH2+]C[C@@H]1[NH3+])C(C)C ZINC001221254894 804758982 /nfs/dbraw/zinc/75/89/82/804758982.db2.gz ZENRPROHKKMSQR-RYUDHWBXSA-N 3 2 273.361 0.948 20 0 CCADLP CCC[NH2+]C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001277093098 805186968 /nfs/dbraw/zinc/18/69/68/805186968.db2.gz YPDQRAXGBHCTQU-HAQNSBGRSA-N 2 2 250.346 0.778 20 0 CCADLP O[C@@H](C[NH2+][C@H]1CCC[NH2+]C1)COCC(F)(F)C(F)F ZINC001245979411 807105131 /nfs/dbraw/zinc/10/51/31/807105131.db2.gz JCEVZPIOVCTCBG-IUCAKERBSA-N 2 2 288.285 0.606 20 0 CCADLP C[C@H]1CC[NH2+]C[C@H]1C[NH2+]C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001245984050 807106582 /nfs/dbraw/zinc/10/65/82/807106582.db2.gz PQCVCBTXKDKPDV-QSPRXWTASA-N 3 2 291.439 0.753 20 0 CCADLP Cc1ccccc1OC[C@@H](O)C[NH2+]CCC[NH2+]CCC[NH3+] ZINC001246008981 807114433 /nfs/dbraw/zinc/11/44/33/807114433.db2.gz IEOIVKSUZQUSBM-HNNXBMFYSA-N 3 2 295.427 0.653 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C)[NH2+]C2)CCN1 ZINC001246080940 807145007 /nfs/dbraw/zinc/14/50/07/807145007.db2.gz QLACUOWNTWGDFS-BJDJZHNGSA-N 2 2 255.362 0.010 20 0 CCADLP F[C@@H]1C[NH2+]CC[C@H]1[NH2+]C1CCN(c2ncccn2)CC1 ZINC001246088168 807148557 /nfs/dbraw/zinc/14/85/57/807148557.db2.gz RRGJEJCBMRBTBM-CHWSQXEVSA-N 2 2 279.363 0.735 20 0 CCADLP CC(C)(C)OC(=O)[C@@H]1C[C@@H](N[C@@H]2CCCC[C@@H]2[NH3+])C[NH2+]1 ZINC001246101367 807153841 /nfs/dbraw/zinc/15/38/41/807153841.db2.gz LAEIGQMLSPSIGQ-XQHKEYJVSA-N 2 2 283.416 0.918 20 0 CCADLP F[C@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001246107497 807155439 /nfs/dbraw/zinc/15/54/39/807155439.db2.gz HCRMCSMIOWCTHW-RHYQMDGZSA-N 2 2 268.340 0.446 20 0 CCADLP COC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@]2(F)CCCC[NH2+]C2)CN1 ZINC001246115120 807157273 /nfs/dbraw/zinc/15/72/73/807157273.db2.gz QZWWDMKDMHJQJP-MBNYWOFBSA-N 2 2 287.379 0.351 20 0 CCADLP CCOC(=O)[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CC23CC3)CCN1 ZINC001246135160 807162603 /nfs/dbraw/zinc/16/26/03/807162603.db2.gz STYWACYOSOKMNO-SDDRHHMPSA-N 2 2 267.373 0.012 20 0 CCADLP C([NH2+][C@H]1CCC2(C[NH2+]C2)C1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246140300 807163455 /nfs/dbraw/zinc/16/34/55/807163455.db2.gz GTHYURFCJGFYGX-KBPBESRZSA-N 4 2 278.444 0.592 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N[C@@H]2CC[NH2+][C@H]2c2ccccc2)C[NH2+]1 ZINC001246142687 807165053 /nfs/dbraw/zinc/16/50/53/807165053.db2.gz OBUFSZFDDLJFQV-XGUBFFRZSA-N 2 2 289.379 0.583 20 0 CCADLP C([NH2+][C@@H]1CCSC1)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001246145129 807166436 /nfs/dbraw/zinc/16/64/36/807166436.db2.gz LSQKYVDHSSHBJR-NWDGAFQWSA-N 3 2 255.431 0.956 20 0 CCADLP CC(C)[NH+]1CCN(CC[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC001246241301 807196528 /nfs/dbraw/zinc/19/65/28/807196528.db2.gz ZGKYELYEYJZCSY-CABCVRRESA-N 3 2 268.449 0.743 20 0 CCADLP CC(C)[NH+]1CCN(CC[NH2+][C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC001246241303 807196869 /nfs/dbraw/zinc/19/68/69/807196869.db2.gz ZGKYELYEYJZCSY-GJZGRUSLSA-N 3 2 268.449 0.743 20 0 CCADLP c1nc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2n1CCC[NH2+]C2 ZINC001246250383 807198620 /nfs/dbraw/zinc/19/86/20/807198620.db2.gz VRRQAJQQUZGTRI-FUNVUKJBSA-N 3 2 275.400 0.749 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@@H](NC2(C[NH3+])CCCC2)C[NH2+]1 ZINC001246285605 807209067 /nfs/dbraw/zinc/20/90/67/807209067.db2.gz HPVCXBOTPXPFJD-BXUZGUMPSA-N 2 2 269.389 0.531 20 0 CCADLP OC[C@H]1C[NH2+]C[C@@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC001246302030 807213293 /nfs/dbraw/zinc/21/32/93/807213293.db2.gz ZVSHRALLNBIAOE-CJNGLKHVSA-N 2 2 275.396 0.825 20 0 CCADLP C[C@H]1C[C@H](n2c[nH+]cc2CCNC(=O)CC[NH3+])CC[NH2+]1 ZINC001246321978 807221677 /nfs/dbraw/zinc/22/16/77/807221677.db2.gz FDVMSJUXPVTSKY-NWDGAFQWSA-N 3 2 279.388 0.204 20 0 CCADLP C[C@@H]1CC[C@@H]([NH2+]CCOc2ccc(C(N)=O)cc2)C[NH2+]1 ZINC001246328320 807223771 /nfs/dbraw/zinc/22/37/71/807223771.db2.gz LACAVRVMZHRXCU-DGCLKSJQSA-N 2 2 277.368 0.894 20 0 CCADLP COC(=O)[C@H](Cc1c[nH+]cn1C)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246334253 807225612 /nfs/dbraw/zinc/22/56/12/807225612.db2.gz PWMQURBUYVDGKM-LOWVWBTDSA-N 2 2 280.372 0.234 20 0 CCADLP COC(=O)[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C[C@H]2C(F)(F)F)C[NH2+]1 ZINC001246339840 807226648 /nfs/dbraw/zinc/22/66/48/807226648.db2.gz FMPOIKRUJSVKAT-JLIMGVALSA-N 2 2 295.305 0.020 20 0 CCADLP COC(=O)[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(C2CC2)C(=O)C1 ZINC001246401986 807243155 /nfs/dbraw/zinc/24/31/55/807243155.db2.gz RGVQWBTUDNDVRW-PWSUYJOCSA-N 2 2 283.372 0.010 20 0 CCADLP COCCC1([NH3+])CC[NH+]([C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246422748 807249680 /nfs/dbraw/zinc/24/96/80/807249680.db2.gz FHIIOLFMHXVYPG-OLZOCXBDSA-N 3 2 255.406 0.957 20 0 CCADLP c1cc(C[NH2+]C2CC[NH2+]CC2)nc(OC2CCOCC2)n1 ZINC001246434580 807250928 /nfs/dbraw/zinc/25/09/28/807250928.db2.gz NGSUQBLMAMESNS-UHFFFAOYSA-N 2 2 292.383 0.876 20 0 CCADLP COCCOc1nccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)n1 ZINC001246434175 807251675 /nfs/dbraw/zinc/25/16/75/807251675.db2.gz LZHIBHAWDYXVKF-NEPJUHHUSA-N 2 2 280.372 0.732 20 0 CCADLP COC(=O)[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246450526 807252626 /nfs/dbraw/zinc/25/26/26/807252626.db2.gz XAJPGBHFWXXTNR-YFKTTZPYSA-N 2 2 256.346 0.295 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H](C)C2)CN1 ZINC001246500368 807266547 /nfs/dbraw/zinc/26/65/47/807266547.db2.gz WJALMRDIUVDNNX-NDBYEHHHSA-N 2 2 269.389 0.258 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](C[NH3+])CC(C)C)CN1 ZINC001246503284 807267423 /nfs/dbraw/zinc/26/74/23/807267423.db2.gz KDJDZLMBZCQWCC-AGIUHOORSA-N 2 2 271.405 0.633 20 0 CCADLP CCOC(=O)[C@@H]([NH3+])Cc1cn(C2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC001246516035 807270260 /nfs/dbraw/zinc/27/02/60/807270260.db2.gz GTQXYNGBJIEPNM-OWZDMKDPSA-N 2 2 292.383 0.772 20 0 CCADLP C[C@@H]1CC[C@@H]([NH+]2CCC3(CNC(=O)C3)CC2)C[NH2+]1 ZINC001246524453 807273393 /nfs/dbraw/zinc/27/33/93/807273393.db2.gz QXIMQPHKHRCULF-VXGBXAGGSA-N 2 2 251.374 0.729 20 0 CCADLP CCOC(=O)[C@@H]1CC12CCC([N@@H+]1C[C@@H]([NH3+])[C@H](O)C1)CC2 ZINC001246556953 807286783 /nfs/dbraw/zinc/28/67/83/807286783.db2.gz LOOVBLJEEFYKGN-FTBOAFTOSA-N 2 2 282.384 0.502 20 0 CCADLP CCOC(=O)[C@@H]1CC12CCC([N@H+]1C[C@@H]([NH3+])[C@H](O)C1)CC2 ZINC001246556953 807286786 /nfs/dbraw/zinc/28/67/86/807286786.db2.gz LOOVBLJEEFYKGN-FTBOAFTOSA-N 2 2 282.384 0.502 20 0 CCADLP CC(=O)N1CC[C@@H]([N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)C1 ZINC001246561174 807291302 /nfs/dbraw/zinc/29/13/02/807291302.db2.gz VXNRIRHWDCJENK-GHMZBOCLSA-N 2 2 261.316 0.523 20 0 CCADLP CC(=O)N1CC[C@@H]([N@H+]2CCC(F)(F)[C@H](C[NH3+])C2)C1 ZINC001246561174 807291306 /nfs/dbraw/zinc/29/13/06/807291306.db2.gz VXNRIRHWDCJENK-GHMZBOCLSA-N 2 2 261.316 0.523 20 0 CCADLP [NH3+]C[C@@]1(F)CCCC[N@@H+]([C@@H]2CSC3(C[NH2+]C3)C2)C1 ZINC001246574221 807298046 /nfs/dbraw/zinc/29/80/46/807298046.db2.gz FPJPZNNOHSUJMN-RYUDHWBXSA-N 3 2 273.421 0.987 20 0 CCADLP [NH3+]C[C@@]1(F)CCCC[N@H+]([C@@H]2CSC3(C[NH2+]C3)C2)C1 ZINC001246574221 807298049 /nfs/dbraw/zinc/29/80/49/807298049.db2.gz FPJPZNNOHSUJMN-RYUDHWBXSA-N 3 2 273.421 0.987 20 0 CCADLP CCOC(=O)C1=C(O)CC[N@@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246599539 807316883 /nfs/dbraw/zinc/31/68/83/807316883.db2.gz ZPZSOQQOQYNLRC-HNGCFSAESA-N 2 2 280.368 0.724 20 0 CCADLP CCOC(=O)C1=C(O)CC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246599539 807316889 /nfs/dbraw/zinc/31/68/89/807316889.db2.gz ZPZSOQQOQYNLRC-HNGCFSAESA-N 2 2 280.368 0.724 20 0 CCADLP CC(=O)N1CC[C@H]([N@@H+]2CCC[C@@]23CCC[NH2+]C3)C1 ZINC001246608319 807321892 /nfs/dbraw/zinc/32/18/92/807321892.db2.gz JCVDLSNZYNPPKK-UONOGXRCSA-N 2 2 251.374 0.825 20 0 CCADLP CC(=O)N1CC[C@H]([N@H+]2CCC[C@@]23CCC[NH2+]C3)C1 ZINC001246608319 807321899 /nfs/dbraw/zinc/32/18/99/807321899.db2.gz JCVDLSNZYNPPKK-UONOGXRCSA-N 2 2 251.374 0.825 20 0 CCADLP CCN(CC)C(=O)C[C@H](C)N1CC[NH2+][C@H]2CC[NH2+]CC[C@@H]21 ZINC001246620851 807328218 /nfs/dbraw/zinc/32/82/18/807328218.db2.gz ZPDZKGMWHRZDAY-KKUMJFAQSA-N 2 2 296.459 0.659 20 0 CCADLP C[C@@H]1C[C@@H]([N@@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)CC[NH2+]1 ZINC001246686348 807356263 /nfs/dbraw/zinc/35/62/63/807356263.db2.gz RSDZZKFOZOMLJP-GZBLMMOJSA-N 3 2 265.401 0.580 20 0 CCADLP C[C@@H]1C[C@@H]([N@H+]2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)CC[NH2+]1 ZINC001246686348 807356275 /nfs/dbraw/zinc/35/62/75/807356275.db2.gz RSDZZKFOZOMLJP-GZBLMMOJSA-N 3 2 265.401 0.580 20 0 CCADLP O=C1NCC[C@]12CCC[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246708670 807363167 /nfs/dbraw/zinc/36/31/67/807363167.db2.gz SADILUBYAIYVIC-YOOVYSLHSA-N 2 2 263.385 0.872 20 0 CCADLP O=C1NCC[C@]12CCC[N@H+](C1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC001246708670 807363174 /nfs/dbraw/zinc/36/31/74/807363174.db2.gz SADILUBYAIYVIC-YOOVYSLHSA-N 2 2 263.385 0.872 20 0 CCADLP Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CC[N@H+]3[C@@H]2CCC[NH2+]C2)cn1 ZINC001246716021 807364676 /nfs/dbraw/zinc/36/46/76/807364676.db2.gz TVYNBWVQGBZRCC-KWCYVHTRSA-N 2 2 289.383 0.352 20 0 CCADLP Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3[C@@H]2CCC[NH2+]C2)cn1 ZINC001246716021 807364684 /nfs/dbraw/zinc/36/46/84/807364684.db2.gz TVYNBWVQGBZRCC-KWCYVHTRSA-N 2 2 289.383 0.352 20 0 CCADLP CN(C)C(=O)[C@@H]1CCO[C@@H]2CC[N@@H+]([C@@H]3CCC[NH2+]C3)C[C@H]21 ZINC001246722887 807367527 /nfs/dbraw/zinc/36/75/27/807367527.db2.gz SMKIWCDFZRIQKR-APIJFGDWSA-N 2 2 295.427 0.554 20 0 CCADLP CN(C)C(=O)[C@@H]1CCO[C@@H]2CC[N@H+]([C@@H]3CCC[NH2+]C3)C[C@H]21 ZINC001246722887 807367536 /nfs/dbraw/zinc/36/75/36/807367536.db2.gz SMKIWCDFZRIQKR-APIJFGDWSA-N 2 2 295.427 0.554 20 0 CCADLP CC[N@@H+]1CCO[C@@H]2C[NH+]([C@@H]3CC[NH2+][C@@H](C)C3)C[C@@H]2C1 ZINC001246755919 807371796 /nfs/dbraw/zinc/37/17/96/807371796.db2.gz UPELUFHXOPCOSX-BYNSBNAKSA-N 3 2 267.417 0.779 20 0 CCADLP CC[N@H+]1CCO[C@@H]2C[NH+]([C@@H]3CC[NH2+][C@@H](C)C3)C[C@@H]2C1 ZINC001246755919 807371803 /nfs/dbraw/zinc/37/18/03/807371803.db2.gz UPELUFHXOPCOSX-BYNSBNAKSA-N 3 2 267.417 0.779 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@@H+]([C@@H]3CC[NH2+][C@@H](C)C3)C[C@@H]2C1 ZINC001246755919 807371814 /nfs/dbraw/zinc/37/18/14/807371814.db2.gz UPELUFHXOPCOSX-BYNSBNAKSA-N 3 2 267.417 0.779 20 0 CCADLP CC[NH+]1CCO[C@@H]2C[N@H+]([C@@H]3CC[NH2+][C@@H](C)C3)C[C@@H]2C1 ZINC001246755919 807371821 /nfs/dbraw/zinc/37/18/21/807371821.db2.gz UPELUFHXOPCOSX-BYNSBNAKSA-N 3 2 267.417 0.779 20 0 CCADLP COC(=O)[C@@H]1C[N@H+]([C@@H]2CCC[C@H](OC)C2)C[C@H]1[NH3+] ZINC001246933361 807433629 /nfs/dbraw/zinc/43/36/29/807433629.db2.gz IDJCYPMGIHAWNB-WRWGMCAJSA-N 2 2 256.346 0.376 20 0 CCADLP COC(=O)[C@@H]1C[N@@H+]([C@@H]2CCC[C@H](OC)C2)C[C@H]1[NH3+] ZINC001246933361 807433632 /nfs/dbraw/zinc/43/36/32/807433632.db2.gz IDJCYPMGIHAWNB-WRWGMCAJSA-N 2 2 256.346 0.376 20 0 CCADLP COC(=O)[C@@H]1C[C@@H](N(CC(C)(C)C)C2CC[NH2+]CC2)C[NH2+]1 ZINC001246946435 807436842 /nfs/dbraw/zinc/43/68/42/807436842.db2.gz MUGSLVFJIMWFGJ-KGLIPLIRSA-N 2 2 297.443 0.990 20 0 CCADLP CN1C(=O)CCC12CC[NH+]([C@H]1CCC[NH2+]C1)CC2 ZINC001246970568 807441921 /nfs/dbraw/zinc/44/19/21/807441921.db2.gz ACFWKSMXFFKLJN-LBPRGKRZSA-N 2 2 251.374 0.825 20 0 CCADLP CCOC(=O)[C@H]1C[N@@H+]([C@@H]2CCC[NH2+]C2)CCC12C[NH2+]C2 ZINC001247005100 807453099 /nfs/dbraw/zinc/45/30/99/807453099.db2.gz GADDZDUSDYIQSY-CHWSQXEVSA-N 3 2 281.400 0.213 20 0 CCADLP CCOC(=O)[C@H]1C[N@H+]([C@@H]2CCC[NH2+]C2)CCC12C[NH2+]C2 ZINC001247005100 807453102 /nfs/dbraw/zinc/45/31/02/807453102.db2.gz GADDZDUSDYIQSY-CHWSQXEVSA-N 3 2 281.400 0.213 20 0 CCADLP [NH3+]C[C@@H](O)Cc1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001247501274 807464393 /nfs/dbraw/zinc/46/43/93/807464393.db2.gz WPOBCYVPOSFTOA-LBPRGKRZSA-N 2 2 285.307 0.784 20 0 CCADLP [NH3+]C[C@H]([NH3+])Cc1nc(-c2ccc(OC3COC3)cc2)no1 ZINC001249128455 807544408 /nfs/dbraw/zinc/54/44/08/807544408.db2.gz CGKWZLDSNQPZIU-SNVBAGLBSA-N 2 2 290.323 0.343 20 0 CCADLP [NH3+]C[C@H]([NH3+])Cc1nc(-c2ccc(C(F)(F)F)cn2)no1 ZINC001249129607 807544426 /nfs/dbraw/zinc/54/44/26/807544426.db2.gz OKDPBDUAWNISRI-SSDOTTSWSA-N 2 2 287.245 0.979 20 0 CCADLP Cc1ncc(Cl)cc1-c1noc(C[C@@H]([NH3+])C[NH3+])n1 ZINC001249129804 807544960 /nfs/dbraw/zinc/54/49/60/807544960.db2.gz TVUGKLBSHDWPKO-MRVPVSSYSA-N 2 2 267.720 0.922 20 0 CCADLP CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001075968718 815129899 /nfs/dbraw/zinc/12/98/99/815129899.db2.gz JYTGPQIZNAYTGR-KCQAQPDRSA-N 2 2 288.395 0.998 20 0 CCADLP CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001075968718 815129904 /nfs/dbraw/zinc/12/99/04/815129904.db2.gz JYTGPQIZNAYTGR-KCQAQPDRSA-N 2 2 288.395 0.998 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])NC[C@@H](O)COc2ccccc2)CC1 ZINC001251239284 807676099 /nfs/dbraw/zinc/67/60/99/807676099.db2.gz VIPQSHJVXSURMR-CYBMUJFWSA-N 2 2 292.383 0.198 20 0 CCADLP COC[C@@H](O)C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001252813767 807965336 /nfs/dbraw/zinc/96/53/36/807965336.db2.gz IJYSJNDRLBOUHZ-LBPRGKRZSA-N 2 2 266.341 0.932 20 0 CCADLP CC(C)([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(N)=O ZINC001252945988 807987597 /nfs/dbraw/zinc/98/75/97/807987597.db2.gz KXFKGUTVUQKYFD-MRXNPFEDSA-N 2 2 291.395 0.477 20 0 CCADLP CC(C)([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(N)=O ZINC001252945988 807987598 /nfs/dbraw/zinc/98/75/98/807987598.db2.gz KXFKGUTVUQKYFD-MRXNPFEDSA-N 2 2 291.395 0.477 20 0 CCADLP CN1CC(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001252948793 807987667 /nfs/dbraw/zinc/98/76/67/807987667.db2.gz WZUJKJQUZMJOCS-QGZVFWFLSA-N 2 2 289.423 0.775 20 0 CCADLP CN1CC(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001252948793 807987672 /nfs/dbraw/zinc/98/76/72/807987672.db2.gz WZUJKJQUZMJOCS-QGZVFWFLSA-N 2 2 289.423 0.775 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001253182912 808021336 /nfs/dbraw/zinc/02/13/36/808021336.db2.gz VDOUGUHQWNFUOQ-MCIONIFRSA-N 2 2 256.390 0.800 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[N@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001253182912 808021346 /nfs/dbraw/zinc/02/13/46/808021346.db2.gz VDOUGUHQWNFUOQ-MCIONIFRSA-N 2 2 256.390 0.800 20 0 CCADLP CCC(=O)NC1CC[NH+](C[C@@H](O)C[NH+](CC)CC)CC1 ZINC001253190688 808024400 /nfs/dbraw/zinc/02/44/00/808024400.db2.gz RAKRYLGRIQUACO-AWEZNQCLSA-N 2 2 285.432 0.680 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1C[C@@H]2C(=O)CCC[C@@H]2C1 ZINC001253194732 808026583 /nfs/dbraw/zinc/02/65/83/808026583.db2.gz KCRZNDCCHALGDG-RDBSUJKOSA-N 2 2 268.401 0.990 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1C[C@@H]2C(=O)CCC[C@@H]2C1 ZINC001253194732 808026586 /nfs/dbraw/zinc/02/65/86/808026586.db2.gz KCRZNDCCHALGDG-RDBSUJKOSA-N 2 2 268.401 0.990 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC001253192373 808026655 /nfs/dbraw/zinc/02/66/55/808026655.db2.gz PMEZVAKLOGALHO-KBPBESRZSA-N 2 2 281.404 0.618 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC001253192373 808026659 /nfs/dbraw/zinc/02/66/59/808026659.db2.gz PMEZVAKLOGALHO-KBPBESRZSA-N 2 2 281.404 0.618 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC001253195556 808028205 /nfs/dbraw/zinc/02/82/05/808028205.db2.gz RAYHPYCLPGSZAL-CYBMUJFWSA-N 2 2 299.415 0.654 20 0 CCADLP CC[NH+](CC)C[C@@H](O)C[NH2+][C@@H](CC(C)C)C(=O)N(C)C ZINC001253212083 808034490 /nfs/dbraw/zinc/03/44/90/808034490.db2.gz DKUJSYPNHQXZIM-KBPBESRZSA-N 2 2 287.448 0.782 20 0 CCADLP CC[NH+](CC)C[C@H](O)C[NH2+]C[C@@H](O)c1ccncc1 ZINC001253215383 808036024 /nfs/dbraw/zinc/03/60/24/808036024.db2.gz WUSMWEQEZCZLDE-ZIAGYGMSSA-N 2 2 267.373 0.407 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+]C1COC(C)(C)OC1 ZINC001253406547 808059480 /nfs/dbraw/zinc/05/94/80/808059480.db2.gz PJNXCJCTKLMUAS-NSHDSACASA-N 2 2 260.378 0.477 20 0 CCADLP CC(C)(C)[NH2+]C[C@@H](O)C[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC001253405767 808059566 /nfs/dbraw/zinc/05/95/66/808059566.db2.gz OHIXIUXWJWTNQE-AEGPPILISA-N 2 2 278.396 0.983 20 0 CCADLP C(CN1CCOCC1)[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254833167 808283753 /nfs/dbraw/zinc/28/37/53/808283753.db2.gz VVJUUEBYNKYQTG-AWEZNQCLSA-N 2 2 253.390 0.393 20 0 CCADLP CN1C[C@@H]2C[N@@H+]([C@H]3CC4CC[NH+](CC4)C3)C[C@@H]2C1=O ZINC001254857751 808290976 /nfs/dbraw/zinc/29/09/76/808290976.db2.gz CHDISLQBEQLBAD-RDBSUJKOSA-N 2 2 263.385 0.491 20 0 CCADLP CN1C[C@@H]2C[N@H+]([C@H]3CC4CC[NH+](CC4)C3)C[C@@H]2C1=O ZINC001254857751 808290979 /nfs/dbraw/zinc/29/09/79/808290979.db2.gz CHDISLQBEQLBAD-RDBSUJKOSA-N 2 2 263.385 0.491 20 0 CCADLP Cc1cccn2cc(CC(=O)NCCC[NH2+]CCO)[nH+]c12 ZINC001168363398 815195678 /nfs/dbraw/zinc/19/56/78/815195678.db2.gz GMIWNFSDDNAUJG-UHFFFAOYSA-N 2 2 290.367 0.273 20 0 CCADLP CN1CCC[C@H]([N@H+](C)CCN2CC[NH+](C)CC2)C1 ZINC001255489423 808390051 /nfs/dbraw/zinc/39/00/51/808390051.db2.gz OCGXKJXDOTXVFZ-AWEZNQCLSA-N 2 2 254.422 0.260 20 0 CCADLP CN1CCC[C@H]([N@@H+](C)CCN2CC[NH+](C)CC2)C1 ZINC001255489423 808390061 /nfs/dbraw/zinc/39/00/61/808390061.db2.gz OCGXKJXDOTXVFZ-AWEZNQCLSA-N 2 2 254.422 0.260 20 0 CCADLP [NH3+][C@H]1CCC[N@@H+](C2CCN(c3ncccn3)CC2)C1 ZINC001256045922 808461376 /nfs/dbraw/zinc/46/13/76/808461376.db2.gz FLVDGLUNPVCUCW-LBPRGKRZSA-N 2 2 261.373 0.869 20 0 CCADLP [NH3+][C@H]1CCC[N@H+](C2CCN(c3ncccn3)CC2)C1 ZINC001256045922 808461380 /nfs/dbraw/zinc/46/13/80/808461380.db2.gz FLVDGLUNPVCUCW-LBPRGKRZSA-N 2 2 261.373 0.869 20 0 CCADLP CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256081697 808469728 /nfs/dbraw/zinc/46/97/28/808469728.db2.gz KQWWFZGYUMVSSL-LBPRGKRZSA-N 2 2 251.374 0.824 20 0 CCADLP CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C3CC3)CC2)C1 ZINC001256081697 808469730 /nfs/dbraw/zinc/46/97/30/808469730.db2.gz KQWWFZGYUMVSSL-LBPRGKRZSA-N 2 2 251.374 0.824 20 0 CCADLP C[NH+]1CCC([NH2+]C2CN(CC(F)(F)F)C2)CC1 ZINC001256201641 808477554 /nfs/dbraw/zinc/47/75/54/808477554.db2.gz JOSIZTHPNCRZIO-UHFFFAOYSA-N 2 2 251.296 0.917 20 0 CCADLP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@H](C)Cc1ccncc1 ZINC001256721906 808553679 /nfs/dbraw/zinc/55/36/79/808553679.db2.gz YOBRIHQLHVWQGN-DGCLKSJQSA-N 2 2 265.357 0.883 20 0 CCADLP CC(C)[NH+]1CCC(N2CC[N@H+](CC(N)=O)C(C)(C)C2)CC1 ZINC001257217510 808598752 /nfs/dbraw/zinc/59/87/52/808598752.db2.gz NTNUCTJZIAVILG-UHFFFAOYSA-N 2 2 296.459 0.741 20 0 CCADLP CC(C)[NH+]1CCC(N2CC[N@@H+](CC(N)=O)C(C)(C)C2)CC1 ZINC001257217510 808598755 /nfs/dbraw/zinc/59/87/55/808598755.db2.gz NTNUCTJZIAVILG-UHFFFAOYSA-N 2 2 296.459 0.741 20 0 CCADLP C[C@@H](Cc1cccnc1)NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001258611677 808695672 /nfs/dbraw/zinc/69/56/72/808695672.db2.gz MQPAHCFSOVXCHQ-LBPRGKRZSA-N 2 2 261.373 0.784 20 0 CCADLP CCC[NH+]1CCC([NH+]2CC(C(=O)N(C)C)C2)CC1 ZINC001258775584 808701588 /nfs/dbraw/zinc/70/15/88/808701588.db2.gz UOXNLSPZPWOWME-UHFFFAOYSA-N 2 2 253.390 0.881 20 0 CCADLP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1noc(C(N)=O)n1 ZINC001258901022 808704882 /nfs/dbraw/zinc/70/48/82/808704882.db2.gz VTQZRCVRGBYQOD-SNVBAGLBSA-N 2 2 283.376 0.769 20 0 CCADLP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC001261507095 809002783 /nfs/dbraw/zinc/00/27/83/809002783.db2.gz OIVPDRJLBNWMPY-VIFPVBQESA-N 2 2 260.345 0.828 20 0 CCADLP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCCc1cn(C)c[nH+]1 ZINC001262095379 809188750 /nfs/dbraw/zinc/18/87/50/809188750.db2.gz SIWOSCVBFITPMW-VHSXEESVSA-N 2 2 251.334 0.094 20 0 CCADLP CCC1(NC(=O)NCC[NH+]2CCC([NH3+])CC2)CC1 ZINC001262592456 809363385 /nfs/dbraw/zinc/36/33/85/809363385.db2.gz RGJUFASGHRZUAV-UHFFFAOYSA-N 2 2 254.378 0.651 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C)CC[NH2+]CC1 ZINC001263106977 809447827 /nfs/dbraw/zinc/44/78/27/809447827.db2.gz KDMRIBUGUPSOGS-JTQLQIEISA-N 2 2 250.346 0.847 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C)CC[NH2+]CC1 ZINC001263106977 809447829 /nfs/dbraw/zinc/44/78/29/809447829.db2.gz KDMRIBUGUPSOGS-JTQLQIEISA-N 2 2 250.346 0.847 20 0 CCADLP CC(C)[NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001264436859 809657618 /nfs/dbraw/zinc/65/76/18/809657618.db2.gz JLQXCHLJZUAHMR-HAQNSBGRSA-N 2 2 264.373 0.855 20 0 CCADLP CCC[N@@H+]1CC[C@H]([NH2+]C2CCN(C(N)=O)CC2)C1 ZINC000389315272 809676788 /nfs/dbraw/zinc/67/67/88/809676788.db2.gz FQHGGSXKJWXRHQ-LBPRGKRZSA-N 2 2 254.378 0.603 20 0 CCADLP CCC[N@H+]1CC[C@H]([NH2+]C2CCN(C(N)=O)CC2)C1 ZINC000389315272 809676793 /nfs/dbraw/zinc/67/67/93/809676793.db2.gz FQHGGSXKJWXRHQ-LBPRGKRZSA-N 2 2 254.378 0.603 20 0 CCADLP COCC[NH2+][C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001265792990 809854871 /nfs/dbraw/zinc/85/48/71/809854871.db2.gz ZHUXKHDZEYBFKA-NEPJUHHUSA-N 2 2 280.372 0.186 20 0 CCADLP CC[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001266161796 809952153 /nfs/dbraw/zinc/95/21/53/809952153.db2.gz GRONCHZAUMHQBU-UHFFFAOYSA-N 2 2 250.346 0.943 20 0 CCADLP CC[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001266161796 809952156 /nfs/dbraw/zinc/95/21/56/809952156.db2.gz GRONCHZAUMHQBU-UHFFFAOYSA-N 2 2 250.346 0.943 20 0 CCADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCF ZINC001279162495 809971348 /nfs/dbraw/zinc/97/13/48/809971348.db2.gz RVHHERPKOYGDPS-WDEREUQCSA-N 2 2 268.336 0.606 20 0 CCADLP CCOCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001279204780 809973084 /nfs/dbraw/zinc/97/30/84/809973084.db2.gz OTYTYCYTSLKYNM-KGLIPLIRSA-N 2 2 294.399 0.604 20 0 CCADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C[C@H]([NH3+])C(F)F)C1 ZINC000724735173 809989144 /nfs/dbraw/zinc/98/91/44/809989144.db2.gz RBVQZEBOMJSBKT-AEJSXWLSSA-N 2 2 263.332 0.958 20 0 CCADLP COCC[NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001280264705 810010285 /nfs/dbraw/zinc/01/02/85/810010285.db2.gz YYNYDUBGBAUUBW-CYBMUJFWSA-N 2 2 294.399 0.437 20 0 CCADLP CC(C)=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001076805977 815380019 /nfs/dbraw/zinc/38/00/19/815380019.db2.gz YSVDQYOSIKDKGQ-HZSPNIEDSA-N 2 2 281.400 0.208 20 0 CCADLP [NH3+][C@H](CC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(F)F ZINC000724750857 811093037 /nfs/dbraw/zinc/09/30/37/811093037.db2.gz GVCYQKZPYBWRBY-OPRDCNLKSA-N 2 2 261.316 0.712 20 0 CCADLP [NH3+][C@H](CC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(F)F ZINC000724750857 811093044 /nfs/dbraw/zinc/09/30/44/811093044.db2.gz GVCYQKZPYBWRBY-OPRDCNLKSA-N 2 2 261.316 0.712 20 0 CCADLP C[C@@H](O)C[NH2+]CCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001267439510 811307355 /nfs/dbraw/zinc/30/73/55/811307355.db2.gz LCUGHUVAFRYEKG-WDEREUQCSA-N 2 2 268.361 0.017 20 0 CCADLP C[C@@H](O)C[NH2+]CCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001267439510 811307367 /nfs/dbraw/zinc/30/73/67/811307367.db2.gz LCUGHUVAFRYEKG-WDEREUQCSA-N 2 2 268.361 0.017 20 0 CCADLP C[C@@H](O)C[NH2+]CCN(C)C(=O)CCCn1cc[nH+]c1 ZINC001267477331 811360986 /nfs/dbraw/zinc/36/09/86/811360986.db2.gz AGSDGDKLSXLIAS-GFCCVEGCSA-N 2 2 268.361 0.092 20 0 CCADLP COCC[NH2+][C@H](C)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001267492329 811371606 /nfs/dbraw/zinc/37/16/06/811371606.db2.gz HUBDZDHYVGNAFQ-GFCCVEGCSA-N 2 2 294.399 0.815 20 0 CCADLP CO[C@H](C)C[NH+]1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267657318 811624167 /nfs/dbraw/zinc/62/41/67/811624167.db2.gz QALGRUVSCJWBAK-LLVKDONJSA-N 2 2 269.389 0.164 20 0 CCADLP Cc1cnc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)nc1 ZINC000692537861 811723205 /nfs/dbraw/zinc/72/32/05/811723205.db2.gz TXEDTUPSWHKKSC-ZDUSSCGKSA-N 2 2 261.373 0.265 20 0 CCADLP Cc1cnc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)nc1 ZINC000692537861 811723208 /nfs/dbraw/zinc/72/32/08/811723208.db2.gz TXEDTUPSWHKKSC-ZDUSSCGKSA-N 2 2 261.373 0.265 20 0 CCADLP CC[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CCCO ZINC001267809605 811805875 /nfs/dbraw/zinc/80/58/75/811805875.db2.gz OMAOJCRVJHOAHH-CHWSQXEVSA-N 2 2 294.399 0.312 20 0 CCADLP C[C@@H](O)C[N@H+](C)[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001027436284 812011053 /nfs/dbraw/zinc/01/10/53/812011053.db2.gz UBSISUVEQATMOT-TZMCWYRMSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@@H](O)C[N@@H+](C)[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001027436284 812011063 /nfs/dbraw/zinc/01/10/63/812011063.db2.gz UBSISUVEQATMOT-TZMCWYRMSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@@H](O)C[N@H+](C)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001027436284 812011072 /nfs/dbraw/zinc/01/10/72/812011072.db2.gz UBSISUVEQATMOT-TZMCWYRMSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@@H](O)C[N@@H+](C)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001027436284 812011081 /nfs/dbraw/zinc/01/10/81/812011081.db2.gz UBSISUVEQATMOT-TZMCWYRMSA-N 2 2 294.399 0.646 20 0 CCADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccnc(-n2cncn2)c1 ZINC000925725496 812011166 /nfs/dbraw/zinc/01/11/66/812011166.db2.gz LGRVLKKWUMLHST-DGCLKSJQSA-N 2 2 272.356 0.892 20 0 CCADLP [NH2+]=C(Nc1cnc(N2CCC2)nc1)SCC[NH3+] ZINC001167913897 812152133 /nfs/dbraw/zinc/15/21/33/812152133.db2.gz GOBYWTHYJYXACM-UHFFFAOYSA-N 2 2 252.347 0.725 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N(C)[C@H](C)C[NH2+]CCO)c[nH+]1 ZINC001268070754 812184800 /nfs/dbraw/zinc/18/48/00/812184800.db2.gz KMLZRQWXSBMVJZ-GFCCVEGCSA-N 2 2 282.388 0.355 20 0 CCADLP COCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001268070058 812184935 /nfs/dbraw/zinc/18/49/35/812184935.db2.gz CEKDHUYVCNLYPK-CHWSQXEVSA-N 2 2 294.399 0.528 20 0 CCADLP O[C@H](C[NH2+][C@H]1CC[N@H+](CC2CC2)C1)C1(O)CCCC1 ZINC000905102356 815510362 /nfs/dbraw/zinc/51/03/62/815510362.db2.gz RTXMHUVHARLGGT-UONOGXRCSA-N 2 2 268.401 0.726 20 0 CCADLP O[C@H](C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C1(O)CCCC1 ZINC000905102356 815510366 /nfs/dbraw/zinc/51/03/66/815510366.db2.gz RTXMHUVHARLGGT-UONOGXRCSA-N 2 2 268.401 0.726 20 0 CCADLP COCC[NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH+]cn1C ZINC001268096891 812252518 /nfs/dbraw/zinc/25/25/18/812252518.db2.gz VNOFVDMDZXYLMP-LBPRGKRZSA-N 2 2 282.388 0.436 20 0 CCADLP CO[C@H](C)C[NH2+]CC[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001268419070 812559321 /nfs/dbraw/zinc/55/93/21/812559321.db2.gz JXBYXLONZJOLJL-GHMZBOCLSA-N 2 2 282.388 0.780 20 0 CCADLP C[C@H](CC[NH2+]Cc1ccnn1C)NC(=O)Cn1cc[nH+]c1 ZINC001268431734 812564113 /nfs/dbraw/zinc/56/41/13/812564113.db2.gz PDPVNKSPHNDNOM-GFCCVEGCSA-N 2 2 290.371 0.301 20 0 CCADLP CCOCC[NH+]1CC(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001268483896 812657596 /nfs/dbraw/zinc/65/75/96/812657596.db2.gz ULLIKIRQRCRXBZ-UHFFFAOYSA-N 2 2 283.416 0.699 20 0 CCADLP COc1ccccc1-c1noc([C@H]2C[NH2+]C[C@@H]2[NH3+])n1 ZINC001211755666 812670648 /nfs/dbraw/zinc/67/06/48/812670648.db2.gz YCZUKGXFUUOODP-UWVGGRQHSA-N 2 2 260.297 0.759 20 0 CCADLP [NH3+][C@H]1C[NH2+]C[C@@H]1c1nc(-c2ccc3nccnc3c2)no1 ZINC001211755634 812671253 /nfs/dbraw/zinc/67/12/53/812671253.db2.gz WRYVIYMERDNAKT-UWVGGRQHSA-N 2 2 282.307 0.694 20 0 CCADLP COCCC[NH+]1CC(CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001268883549 813130517 /nfs/dbraw/zinc/13/05/17/813130517.db2.gz PEUBSVFNJRJXMN-UHFFFAOYSA-N 2 2 266.345 0.037 20 0 CCADLP CCO[C@@H](C[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1)C1CC1 ZINC001126442990 813599758 /nfs/dbraw/zinc/59/97/58/813599758.db2.gz WMVNZEWHFRFKMY-ZDUSSCGKSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@@H](O)C[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038417926 813707874 /nfs/dbraw/zinc/70/78/74/813707874.db2.gz VFXHTDLLFFKUFU-ZYHUDNBSSA-N 2 2 288.351 0.748 20 0 CCADLP C[C@@H](O)C[N@H+]1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001038417926 813707878 /nfs/dbraw/zinc/70/78/78/813707878.db2.gz VFXHTDLLFFKUFU-ZYHUDNBSSA-N 2 2 288.351 0.748 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CCF)CC[C@@H]3C2)C1 ZINC001087920642 814271033 /nfs/dbraw/zinc/27/10/33/814271033.db2.gz WPQFSSMBVLUVBG-HZSPNIEDSA-N 2 2 299.390 0.067 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](CCF)CC[C@@H]3C2)C1 ZINC001087920642 814271041 /nfs/dbraw/zinc/27/10/41/814271041.db2.gz WPQFSSMBVLUVBG-HZSPNIEDSA-N 2 2 299.390 0.067 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CCF)CC[C@@H]3C2)C1 ZINC001087920642 814271051 /nfs/dbraw/zinc/27/10/51/814271051.db2.gz WPQFSSMBVLUVBG-HZSPNIEDSA-N 2 2 299.390 0.067 20 0 CCADLP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](CCF)CC[C@@H]3C2)C1 ZINC001087920642 814271060 /nfs/dbraw/zinc/27/10/60/814271060.db2.gz WPQFSSMBVLUVBG-HZSPNIEDSA-N 2 2 299.390 0.067 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[N@H+](CCF)CC[C@@H]2C1 ZINC001088121019 814417364 /nfs/dbraw/zinc/41/73/64/814417364.db2.gz KRHLIZMUTWASCD-NEPJUHHUSA-N 2 2 280.347 0.702 20 0 CCADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[N@@H+](CCF)CC[C@@H]2C1 ZINC001088121019 814417369 /nfs/dbraw/zinc/41/73/69/814417369.db2.gz KRHLIZMUTWASCD-NEPJUHHUSA-N 2 2 280.347 0.702 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001075866411 814594874 /nfs/dbraw/zinc/59/48/74/814594874.db2.gz DBAAQBGHMCAUSR-GXTWGEPZSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001075866411 814594879 /nfs/dbraw/zinc/59/48/79/814594879.db2.gz DBAAQBGHMCAUSR-GXTWGEPZSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC001075866411 814594883 /nfs/dbraw/zinc/59/48/83/814594883.db2.gz DBAAQBGHMCAUSR-GXTWGEPZSA-N 2 2 292.383 0.257 20 0 CCADLP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC001075866411 814594889 /nfs/dbraw/zinc/59/48/89/814594889.db2.gz DBAAQBGHMCAUSR-GXTWGEPZSA-N 2 2 292.383 0.257 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CCCCC[C@@H]([NH2+]CCO)C1 ZINC001088414089 814677043 /nfs/dbraw/zinc/67/70/43/814677043.db2.gz WKNOLNPRZHISLS-CYBMUJFWSA-N 2 2 294.399 0.316 20 0 CCADLP CC[C@H](C[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1)OC ZINC001030161842 815853661 /nfs/dbraw/zinc/85/36/61/815853661.db2.gz QWLDJKBPMZIPKP-OLZOCXBDSA-N 2 2 269.389 0.306 20 0 CCADLP CC[C@H](C[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1)OC ZINC001030161842 815853669 /nfs/dbraw/zinc/85/36/69/815853669.db2.gz QWLDJKBPMZIPKP-OLZOCXBDSA-N 2 2 269.389 0.306 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](CC[C@H]2CCCCO2)C1 ZINC001030162722 815855450 /nfs/dbraw/zinc/85/54/50/815855450.db2.gz YSZBWOLQSMGRLD-CABCVRRESA-N 2 2 295.427 0.840 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NC1C[NH+](CC[C@H]2CCCCO2)C1 ZINC001030162722 815855459 /nfs/dbraw/zinc/85/54/59/815855459.db2.gz YSZBWOLQSMGRLD-CABCVRRESA-N 2 2 295.427 0.840 20 0 CCADLP COC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001030321752 815976152 /nfs/dbraw/zinc/97/61/52/815976152.db2.gz NEJNWVUCPJFACL-RISCZKNCSA-N 2 2 281.400 0.164 20 0 CCADLP CC[C@@H](C(=O)NC[C@@H](O)CNc1cc[nH+]c(C)n1)[NH+](C)C ZINC001105925924 816001593 /nfs/dbraw/zinc/00/15/93/816001593.db2.gz JMNOYNVIISPOAE-RYUDHWBXSA-N 2 2 295.387 0.014 20 0 CCADLP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1C[NH+](C[C@H](C)OC)C1 ZINC001030400918 816014466 /nfs/dbraw/zinc/01/44/66/816014466.db2.gz IUQAYYQKYPOOMJ-GXTWGEPZSA-N 2 2 283.416 0.696 20 0 CCADLP CCC[N@H+]1CCC[C@@H]1C(=O)NC1C[NH+](C[C@H](C)OC)C1 ZINC001030400918 816014470 /nfs/dbraw/zinc/01/44/70/816014470.db2.gz IUQAYYQKYPOOMJ-GXTWGEPZSA-N 2 2 283.416 0.696 20 0 CCADLP COCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001089006060 816210726 /nfs/dbraw/zinc/21/07/26/816210726.db2.gz MFLBFRXVEOGDIC-NEPJUHHUSA-N 2 2 280.372 0.486 20 0 CCADLP COCC[N@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001089006060 816210728 /nfs/dbraw/zinc/21/07/28/816210728.db2.gz MFLBFRXVEOGDIC-NEPJUHHUSA-N 2 2 280.372 0.486 20 0 CCADLP CC(C)=CC[NH+]1CC(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001030683794 816216833 /nfs/dbraw/zinc/21/68/33/816216833.db2.gz YENBOMBZSNWBTK-UHFFFAOYSA-N 2 2 262.357 0.958 20 0 CCADLP CCC[N@@H+]1CCC[C@@H](C(=O)NC2C[NH+]([C@@H](C)COC)C2)C1 ZINC001030826433 816321014 /nfs/dbraw/zinc/32/10/14/816321014.db2.gz ZELKJGLXGPDZJI-UONOGXRCSA-N 2 2 297.443 0.944 20 0 CCADLP CCC[N@H+]1CCC[C@@H](C(=O)NC2C[NH+]([C@@H](C)COC)C2)C1 ZINC001030826433 816321021 /nfs/dbraw/zinc/32/10/21/816321021.db2.gz ZELKJGLXGPDZJI-UONOGXRCSA-N 2 2 297.443 0.944 20 0 CCADLP CCC[NH+]1CC(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001030859237 816355444 /nfs/dbraw/zinc/35/54/44/816355444.db2.gz OQCHQLRKADSNJV-GFCCVEGCSA-N 2 2 276.384 0.964 20 0 CCADLP CCC[N@@H+]1CC[C@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001272456168 816444483 /nfs/dbraw/zinc/44/44/83/816444483.db2.gz DBPMURVXFUQCSD-HNNXBMFYSA-N 2 2 292.383 0.633 20 0 CCADLP CCC[N@H+]1CC[C@]2(C1)CN(Cc1c[nH+]cn1C)C(=O)CO2 ZINC001272456168 816444485 /nfs/dbraw/zinc/44/44/85/816444485.db2.gz DBPMURVXFUQCSD-HNNXBMFYSA-N 2 2 292.383 0.633 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NC2C[NH+](C[C@H]3CCCCO3)C2)C1 ZINC001030958175 816500880 /nfs/dbraw/zinc/50/08/80/816500880.db2.gz FCMFWWJOYJEGPT-UKRRQHHQSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NC2C[NH+](C[C@H]3CCCCO3)C2)C1 ZINC001030958175 816500885 /nfs/dbraw/zinc/50/08/85/816500885.db2.gz FCMFWWJOYJEGPT-UKRRQHHQSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NC2C[NH+](C[C@@H]3CCCCO3)C2)C1 ZINC001030958174 816501473 /nfs/dbraw/zinc/50/14/73/816501473.db2.gz FCMFWWJOYJEGPT-HIFRSBDPSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NC2C[NH+](C[C@@H]3CCCCO3)C2)C1 ZINC001030958174 816501477 /nfs/dbraw/zinc/50/14/77/816501477.db2.gz FCMFWWJOYJEGPT-HIFRSBDPSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[NH+]2CCC([NH3+])CC2)CCO1 ZINC001122157618 816598799 /nfs/dbraw/zinc/59/87/99/816598799.db2.gz QCZPAYLDQVHMBC-RYUDHWBXSA-N 2 2 269.389 0.341 20 0 CCADLP CCC[N@@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](OC)C1 ZINC001212198869 816636861 /nfs/dbraw/zinc/63/68/61/816636861.db2.gz NVTAPTMHPVLTBX-VXGBXAGGSA-N 2 2 280.372 0.568 20 0 CCADLP CCC[N@H+]1C[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H](OC)C1 ZINC001212198869 816636865 /nfs/dbraw/zinc/63/68/65/816636865.db2.gz NVTAPTMHPVLTBX-VXGBXAGGSA-N 2 2 280.372 0.568 20 0 CCADLP CCOCC[NH2+]CCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001127299514 816665093 /nfs/dbraw/zinc/66/50/93/816665093.db2.gz SIUBKMLLXDLETR-UHFFFAOYSA-N 2 2 290.367 0.999 20 0 CCADLP Oc1c(F)cc(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)cc1F ZINC001234988661 816789669 /nfs/dbraw/zinc/78/96/69/816789669.db2.gz QPBLUWUTSZUPFM-AWEZNQCLSA-N 2 2 283.322 0.808 20 0 CCADLP C[N@@H+]1CC[C@H](CC(=O)NC2C[NH+](CCOC3CCC3)C2)C1 ZINC001031259816 816909538 /nfs/dbraw/zinc/90/95/38/816909538.db2.gz GRLUPIFMUPMLMA-CYBMUJFWSA-N 2 2 295.427 0.698 20 0 CCADLP C[N@H+]1CC[C@H](CC(=O)NC2C[NH+](CCOC3CCC3)C2)C1 ZINC001031259816 816909544 /nfs/dbraw/zinc/90/95/44/816909544.db2.gz GRLUPIFMUPMLMA-CYBMUJFWSA-N 2 2 295.427 0.698 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001106801062 816922158 /nfs/dbraw/zinc/92/21/58/816922158.db2.gz VCGNHGJQVAYVAK-IJLUTSLNSA-N 2 2 280.372 0.017 20 0 CCADLP Cn1cc(C[NH+]2CC(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC001031580524 817161243 /nfs/dbraw/zinc/16/12/43/817161243.db2.gz UUZJHELTHNAEDN-CQSZACIVSA-N 2 2 291.399 0.062 20 0 CCADLP Cn1cc(C[NH+]2CC(CNC(=O)[C@H]3CCC[N@H+]3C)C2)cn1 ZINC001031580524 817161248 /nfs/dbraw/zinc/16/12/48/817161248.db2.gz UUZJHELTHNAEDN-CQSZACIVSA-N 2 2 291.399 0.062 20 0 CCADLP O=C(NCC1C[NH+](CC2CC2)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001031782196 817363358 /nfs/dbraw/zinc/36/33/58/817363358.db2.gz CENCCCNTPUBEOL-CQSZACIVSA-N 2 2 288.395 0.904 20 0 CCADLP COCC[NH+]1CC(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001031783616 817365362 /nfs/dbraw/zinc/36/53/62/817365362.db2.gz CTCACUMKSBMYMC-ZDUSSCGKSA-N 2 2 292.383 0.140 20 0 CCADLP Cc1ccnc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC001124836540 817589071 /nfs/dbraw/zinc/58/90/71/817589071.db2.gz GRGZQMSVBACVMY-LBPRGKRZSA-N 2 2 277.372 0.085 20 0 CCADLP Cc1ccnc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001124836540 817589076 /nfs/dbraw/zinc/58/90/76/817589076.db2.gz GRGZQMSVBACVMY-LBPRGKRZSA-N 2 2 277.372 0.085 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC=C(Cl)Cl)C1 ZINC001125222781 817730056 /nfs/dbraw/zinc/73/00/56/817730056.db2.gz XLPCERNGOBEMDI-SECBINFHSA-N 2 2 296.198 0.342 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)NCC[NH2+]CC=C(Cl)Cl)C1 ZINC001125222781 817730053 /nfs/dbraw/zinc/73/00/53/817730053.db2.gz XLPCERNGOBEMDI-SECBINFHSA-N 2 2 296.198 0.342 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC1(C)C ZINC000996458647 817809997 /nfs/dbraw/zinc/80/99/97/817809997.db2.gz VTRAFWDCZXGWEO-QWRGUYRKSA-N 2 2 280.372 0.160 20 0 CCADLP [NH3+]CC[NH2+]CCNS(=O)(=O)c1cnc2ccccc2c1 ZINC001238840061 817844126 /nfs/dbraw/zinc/84/41/26/817844126.db2.gz ZKNCAEPIPUNGRF-UHFFFAOYSA-N 2 2 294.380 0.061 20 0 CCADLP CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001107816490 818026927 /nfs/dbraw/zinc/02/69/27/818026927.db2.gz DVERMNNDGSIMCY-OCCSQVGLSA-N 2 2 269.389 0.308 20 0 CCADLP CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001107816490 818026936 /nfs/dbraw/zinc/02/69/36/818026936.db2.gz DVERMNNDGSIMCY-OCCSQVGLSA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001107816490 818026944 /nfs/dbraw/zinc/02/69/44/818026944.db2.gz DVERMNNDGSIMCY-OCCSQVGLSA-N 2 2 269.389 0.308 20 0 CCADLP CC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001107816490 818026953 /nfs/dbraw/zinc/02/69/53/818026953.db2.gz DVERMNNDGSIMCY-OCCSQVGLSA-N 2 2 269.389 0.308 20 0 CCADLP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCF)C1 ZINC001032960501 818388482 /nfs/dbraw/zinc/38/84/82/818388482.db2.gz VGEKUTYRVBLIJG-NEPJUHHUSA-N 2 2 257.353 0.583 20 0 CCADLP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](CCF)C1 ZINC001032960501 818388492 /nfs/dbraw/zinc/38/84/92/818388492.db2.gz VGEKUTYRVBLIJG-NEPJUHHUSA-N 2 2 257.353 0.583 20 0 CCADLP CN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](CCF)C1 ZINC001032960501 818388499 /nfs/dbraw/zinc/38/84/99/818388499.db2.gz VGEKUTYRVBLIJG-NEPJUHHUSA-N 2 2 257.353 0.583 20 0 CCADLP CC(C)Oc1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)nn1 ZINC001168734764 818529278 /nfs/dbraw/zinc/52/92/78/818529278.db2.gz AFDFRPYHWMWOSJ-UHFFFAOYSA-N 2 2 278.360 0.858 20 0 CCADLP Cn1c2ccc(NC(=[NH2+])N3CC[NH+](C)CC3)cc2oc1=O ZINC001168736622 818550747 /nfs/dbraw/zinc/55/07/47/818550747.db2.gz JHJCIPTXQXIOSY-UHFFFAOYSA-N 2 2 289.339 0.726 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cc(C(N)=S)ccn2)CC1 ZINC001168736787 818552585 /nfs/dbraw/zinc/55/25/85/818552585.db2.gz PFXUKEXVFHZONN-UHFFFAOYSA-N 2 2 278.385 0.310 20 0 CCADLP C[NH+]1CCN(C(=[NH2+])Nc2cncc(OC(F)F)n2)CC1 ZINC001168736931 818556517 /nfs/dbraw/zinc/55/65/17/818556517.db2.gz SCWZDAUFGRBHDE-UHFFFAOYSA-N 2 2 286.286 0.672 20 0 CCADLP C[C@H]([NH3+])c1ccc(NC(=[NH2+])N2CC[NH+](C)CC2)cn1 ZINC001168746622 818628499 /nfs/dbraw/zinc/62/84/99/818628499.db2.gz ZWWPHHXVCBERPW-JTQLQIEISA-N 3 2 262.361 0.695 20 0 CCADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@H+](CCO)C1 ZINC001033192819 818637406 /nfs/dbraw/zinc/63/74/06/818637406.db2.gz XIJOUSGGJVIKHV-LBPRGKRZSA-N 2 2 288.351 0.702 20 0 CCADLP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@@H+](CCO)C1 ZINC001033192819 818637413 /nfs/dbraw/zinc/63/74/13/818637413.db2.gz XIJOUSGGJVIKHV-LBPRGKRZSA-N 2 2 288.351 0.702 20 0 CCADLP COc1cncc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)c1 ZINC000700075892 818722662 /nfs/dbraw/zinc/72/26/62/818722662.db2.gz VHGBEXIFQWEWJH-CYBMUJFWSA-N 2 2 253.346 0.492 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CC[N@H+](CCCO)C1 ZINC001033616532 818854599 /nfs/dbraw/zinc/85/45/99/818854599.db2.gz IWUUUIFKONAQKS-GFCCVEGCSA-N 2 2 280.372 0.176 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033616532 818854602 /nfs/dbraw/zinc/85/46/02/818854602.db2.gz IWUUUIFKONAQKS-GFCCVEGCSA-N 2 2 280.372 0.176 20 0 CCADLP C[C@]12C[NH2+]C[C@H]1C[N@H+](CC(=O)N1CCCCC1)C2 ZINC000702112144 819057425 /nfs/dbraw/zinc/05/74/25/819057425.db2.gz YEUFEMLAQKTEFK-GXTWGEPZSA-N 2 2 251.374 0.540 20 0 CCADLP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CC(=O)N1CCCCC1)C2 ZINC000702112144 819057433 /nfs/dbraw/zinc/05/74/33/819057433.db2.gz YEUFEMLAQKTEFK-GXTWGEPZSA-N 2 2 251.374 0.540 20 0 CCADLP C[NH+](C)C[C@H](N)C(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000702390001 819116167 /nfs/dbraw/zinc/11/61/67/819116167.db2.gz GHODQLNSBLFACN-NWDGAFQWSA-N 2 2 281.404 0.303 20 0 CCADLP COCCCC[NH2+]CCNC(=O)CCc1c[nH]c[nH+]1 ZINC001128973291 819247509 /nfs/dbraw/zinc/24/75/09/819247509.db2.gz WYNBKOYSJMCVLE-UHFFFAOYSA-N 2 2 268.361 0.475 20 0 CCADLP COCCCC[NH2+]CCNC(=O)CCc1c[nH+]c[nH]1 ZINC001128973291 819247514 /nfs/dbraw/zinc/24/75/14/819247514.db2.gz WYNBKOYSJMCVLE-UHFFFAOYSA-N 2 2 268.361 0.475 20 0 CCADLP CCS(=O)(=O)C1(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000703512746 819273780 /nfs/dbraw/zinc/27/37/80/819273780.db2.gz WUVAYWLCLOEDJH-JZRPKSSGSA-N 2 2 284.425 0.540 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H]([NH2+]CCF)CC1 ZINC001034775861 819325052 /nfs/dbraw/zinc/32/50/52/819325052.db2.gz LCCLEXRZWMXFPT-HAQNSBGRSA-N 2 2 282.363 0.949 20 0 CCADLP C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC2CC2)C1 ZINC001034891689 819363704 /nfs/dbraw/zinc/36/37/04/819363704.db2.gz ZDVYZZVEYPXVEQ-ZIAGYGMSSA-N 2 2 281.400 0.308 20 0 CCADLP C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC2CC2)C1 ZINC001034891689 819363710 /nfs/dbraw/zinc/36/37/10/819363710.db2.gz ZDVYZZVEYPXVEQ-ZIAGYGMSSA-N 2 2 281.400 0.308 20 0 CCADLP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCCF)CCO1 ZINC001035314036 819466033 /nfs/dbraw/zinc/46/60/33/819466033.db2.gz UIFSDHFFSXELRP-CHWSQXEVSA-N 2 2 287.379 0.257 20 0 CCADLP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CCCF)CCO1 ZINC001035314036 819466038 /nfs/dbraw/zinc/46/60/38/819466038.db2.gz UIFSDHFFSXELRP-CHWSQXEVSA-N 2 2 287.379 0.257 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CCCF)CCO1 ZINC001035314036 819466042 /nfs/dbraw/zinc/46/60/42/819466042.db2.gz UIFSDHFFSXELRP-CHWSQXEVSA-N 2 2 287.379 0.257 20 0 CCADLP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CCCF)CCO1 ZINC001035314036 819466045 /nfs/dbraw/zinc/46/60/45/819466045.db2.gz UIFSDHFFSXELRP-CHWSQXEVSA-N 2 2 287.379 0.257 20 0 CCADLP COCCOC[C@H](O)C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705681213 819544734 /nfs/dbraw/zinc/54/47/34/819544734.db2.gz SAIZGCDYHSEMNO-KFWWJZLASA-N 2 2 286.416 0.284 20 0 CCADLP COCCOC[C@H](O)C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705681213 819544738 /nfs/dbraw/zinc/54/47/38/819544738.db2.gz SAIZGCDYHSEMNO-KFWWJZLASA-N 2 2 286.416 0.284 20 0 CCADLP COCCOC[C@H](O)C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000705681213 819544742 /nfs/dbraw/zinc/54/47/42/819544742.db2.gz SAIZGCDYHSEMNO-KFWWJZLASA-N 2 2 286.416 0.284 20 0 CCADLP COCCOC[C@H](O)C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000705681213 819544747 /nfs/dbraw/zinc/54/47/47/819544747.db2.gz SAIZGCDYHSEMNO-KFWWJZLASA-N 2 2 286.416 0.284 20 0 CCADLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)CC[C@H]1[NH2+]CCO ZINC001036015359 819673099 /nfs/dbraw/zinc/67/30/99/819673099.db2.gz NITRNULHMLTVDI-VXGBXAGGSA-N 2 2 280.372 0.161 20 0 CCADLP C[C@H]1CN(C(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)CCO1 ZINC000709920511 819816650 /nfs/dbraw/zinc/81/66/50/819816650.db2.gz PZCXCQIOUDTTRC-DZGCQCFKSA-N 2 2 281.400 0.309 20 0 CCADLP C[C@H]1CN(C(=O)C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)CCO1 ZINC000709920511 819816661 /nfs/dbraw/zinc/81/66/61/819816661.db2.gz PZCXCQIOUDTTRC-DZGCQCFKSA-N 2 2 281.400 0.309 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000710383363 819826858 /nfs/dbraw/zinc/82/68/58/819826858.db2.gz GSARXKHKWVSNHH-RDBSUJKOSA-N 2 2 254.374 0.554 20 0 CCADLP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000710383363 819826867 /nfs/dbraw/zinc/82/68/67/819826867.db2.gz GSARXKHKWVSNHH-RDBSUJKOSA-N 2 2 254.374 0.554 20 0 CCADLP [NH3+][C@H]1CC[C@H](C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000710853700 819851369 /nfs/dbraw/zinc/85/13/69/819851369.db2.gz PVANPLKOVJWXNF-HAQNSBGRSA-N 2 2 250.346 0.907 20 0 CCADLP CCOCCC[NH2+]CCCNC(=O)CCc1[nH+]ccn1C ZINC001163050157 819932745 /nfs/dbraw/zinc/93/27/45/819932745.db2.gz BPYDZNIMCWASGF-UHFFFAOYSA-N 2 2 296.415 0.875 20 0 CCADLP COCCC[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCC1 ZINC001273173485 820058907 /nfs/dbraw/zinc/05/89/07/820058907.db2.gz ROEYCDGTVPVMHX-UHFFFAOYSA-N 2 2 280.372 0.617 20 0 CCADLP CC(C)N(CCC[NH3+])c1[nH+]ccc2c1OCC(=O)N2 ZINC001164122252 820596963 /nfs/dbraw/zinc/59/69/63/820596963.db2.gz AXHNLCDNKMSVPI-UHFFFAOYSA-N 2 2 264.329 0.976 20 0 CCADLP CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001082601743 821004304 /nfs/dbraw/zinc/00/43/04/821004304.db2.gz SUYKKNABIQOECG-YRGRVCCFSA-N 2 2 276.384 0.902 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@@H+](CC2CCCC2)C[C@@H]1O ZINC001084115514 821194426 /nfs/dbraw/zinc/19/44/26/821194426.db2.gz VSOCDEYFGIFQNO-KGLIPLIRSA-N 2 2 292.383 0.235 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@@H]1C[N@H+](CC2CCCC2)C[C@@H]1O ZINC001084115514 821194430 /nfs/dbraw/zinc/19/44/30/821194430.db2.gz VSOCDEYFGIFQNO-KGLIPLIRSA-N 2 2 292.383 0.235 20 0 CCADLP O=C(CC[NH+]1CCOCC1)N1C[C@H]2CC[N@@H+](CCF)C[C@H]21 ZINC001084722253 821361723 /nfs/dbraw/zinc/36/17/23/821361723.db2.gz GGITUOQXMKGLOV-ZIAGYGMSSA-N 2 2 299.390 0.211 20 0 CCADLP O=C(CC[NH+]1CCOCC1)N1C[C@H]2CC[N@H+](CCF)C[C@H]21 ZINC001084722253 821361732 /nfs/dbraw/zinc/36/17/32/821361732.db2.gz GGITUOQXMKGLOV-ZIAGYGMSSA-N 2 2 299.390 0.211 20 0 CCADLP CN(C[C@H]1CC[N@H+]1CCO)C(=O)c1ccn2c[nH+]cc2c1 ZINC001085699325 821907070 /nfs/dbraw/zinc/90/70/70/821907070.db2.gz LHPXIPWZUBNXFS-CYBMUJFWSA-N 2 2 288.351 0.473 20 0 CCADLP CC[C@H](F)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129891621 837577053 /nfs/dbraw/zinc/57/70/53/837577053.db2.gz PHGLDQIAEPPDCB-HBNTYKKESA-N 2 2 268.336 0.967 20 0 CCADLP O=C(NCC[NH2+]CCn1cccn1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129891479 837577194 /nfs/dbraw/zinc/57/71/94/837577194.db2.gz MGOHQTQCBBFBLU-VXGBXAGGSA-N 2 2 288.355 0.116 20 0 CCADLP O=C(NCC[NH2+]CCn1cccn1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001129891479 837577199 /nfs/dbraw/zinc/57/71/99/837577199.db2.gz MGOHQTQCBBFBLU-VXGBXAGGSA-N 2 2 288.355 0.116 20 0 CCADLP Cc1noc([C@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C)n1 ZINC001129950740 837592128 /nfs/dbraw/zinc/59/21/28/837592128.db2.gz ZDBMERJIANMCHE-JQWIXIFHSA-N 2 2 297.403 0.731 20 0 CCADLP CC(C)C[C@@H](C(=O)NCC[NH2+][C@@H](C)C(N)=O)n1cc[nH+]c1 ZINC001130001840 837605894 /nfs/dbraw/zinc/60/58/94/837605894.db2.gz ZBHGTXLBXNGXIH-RYUDHWBXSA-N 2 2 295.387 0.050 20 0 CCADLP CC[C@H](C(=O)NCC[NH2+][C@@H](C)c1ncccn1)[NH+](C)C ZINC001130205288 837723987 /nfs/dbraw/zinc/72/39/87/837723987.db2.gz JPDVXYFNITVNHJ-NWDGAFQWSA-N 2 2 279.388 0.584 20 0 CCADLP CCc1noc([C@H](C)[NH2+]CCNC(=O)[C@@H](CC)[NH+](C)C)n1 ZINC001130200844 837732267 /nfs/dbraw/zinc/73/22/67/837732267.db2.gz OOLYMXXIOQAMIC-WDEREUQCSA-N 2 2 297.403 0.739 20 0 CCADLP O=C(NCC[NH2+]CCCO)c1cc2c[nH+]ccc2[nH]1 ZINC001130268786 837745149 /nfs/dbraw/zinc/74/51/49/837745149.db2.gz JAAFRMKUMWHEEY-UHFFFAOYSA-N 2 2 262.313 0.265 20 0 CCADLP Cc1cc(C[NH2+]CCNC(=O)[C@@H]2CCCC[N@H+]2C)no1 ZINC001130296894 837750943 /nfs/dbraw/zinc/75/09/43/837750943.db2.gz DPHULDAKVWZSCE-ZDUSSCGKSA-N 2 2 280.372 0.673 20 0 CCADLP Cc1cc(C[NH2+]CCNC(=O)[C@@H]2CCCC[N@@H+]2C)no1 ZINC001130296894 837750955 /nfs/dbraw/zinc/75/09/55/837750955.db2.gz DPHULDAKVWZSCE-ZDUSSCGKSA-N 2 2 280.372 0.673 20 0 CCADLP O=C(NCC[NH2+]Cc1ccccn1)[C@H]1CCn2c[nH+]cc2C1 ZINC001130405069 837787269 /nfs/dbraw/zinc/78/72/69/837787269.db2.gz WERPWMQQWJBIKK-ZDUSSCGKSA-N 2 2 299.378 0.747 20 0 CCADLP CCOCCC[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001130487388 837810087 /nfs/dbraw/zinc/81/00/87/837810087.db2.gz FWMGSSUIKUYWEI-ZDUSSCGKSA-N 2 2 294.399 0.578 20 0 CCADLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@]1(C)C[NH2+]CCF ZINC001183583343 844046424 /nfs/dbraw/zinc/04/64/24/844046424.db2.gz CKPIOTCATYJAAW-TZMCWYRMSA-N 2 2 282.363 0.927 20 0 CCADLP C[C@@H]1C[N@H+](Cc2cn3c(n2)C[NH2+]CC3)CCC[C@@H]1C[NH3+] ZINC001205994874 836031272 /nfs/dbraw/zinc/03/12/72/836031272.db2.gz MVRYDEOYWKTJCZ-CHWSQXEVSA-N 3 2 277.416 0.793 20 0 CCADLP C[C@@H]1C[N@@H+](Cc2cn3c(n2)C[NH2+]CC3)CCC[C@@H]1C[NH3+] ZINC001205994874 836031285 /nfs/dbraw/zinc/03/12/85/836031285.db2.gz MVRYDEOYWKTJCZ-CHWSQXEVSA-N 3 2 277.416 0.793 20 0 CCADLP Cc1nc(CC[NH3+])nn1-c1cc[nH+]c2c1ccn2C ZINC001168988796 836102001 /nfs/dbraw/zinc/10/20/01/836102001.db2.gz BYZFFBKNLSGAPB-UHFFFAOYSA-N 2 2 256.313 0.964 20 0 CCADLP CC(C)C[N@@H+]1CCO[C@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001108439201 836109676 /nfs/dbraw/zinc/10/96/76/836109676.db2.gz DHHHPAWPEVTSJV-OAHLLOKOSA-N 2 2 294.399 0.746 20 0 CCADLP CC(C)C[N@H+]1CCO[C@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001108439201 836109680 /nfs/dbraw/zinc/10/96/80/836109680.db2.gz DHHHPAWPEVTSJV-OAHLLOKOSA-N 2 2 294.399 0.746 20 0 CCADLP COC(=O)c1c(C)ccnc1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001169066435 836122772 /nfs/dbraw/zinc/12/27/72/836122772.db2.gz BPRPWTNUGSVHIE-SNVBAGLBSA-N 2 2 290.323 0.224 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cncc(Br)n1 ZINC001169073236 836127391 /nfs/dbraw/zinc/12/73/91/836127391.db2.gz DWNUBHRMOZBTCB-SSDOTTSWSA-N 2 2 298.144 0.287 20 0 CCADLP [NH3+][C@@H](CO)Cc1c[nH+]cn1-c1cccc2c1C[NH2+]CC2 ZINC001169075725 836128972 /nfs/dbraw/zinc/12/89/72/836128972.db2.gz WFIZOBAFJLCWBR-GFCCVEGCSA-N 3 2 272.352 0.380 20 0 CCADLP COCCOc1cncc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)c1 ZINC001169075013 836128990 /nfs/dbraw/zinc/12/89/90/836128990.db2.gz FEIZSWQFTHPBBB-LLVKDONJSA-N 2 2 292.339 0.155 20 0 CCADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CN(c3ncccn3)C1)C2 ZINC001169102230 836132414 /nfs/dbraw/zinc/13/24/14/836132414.db2.gz YDGQCXMVWKLZDB-UBSAEIQESA-N 2 2 273.384 0.880 20 0 CCADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CN(c3ncccn3)C1)C2 ZINC001169102230 836132417 /nfs/dbraw/zinc/13/24/17/836132417.db2.gz YDGQCXMVWKLZDB-UBSAEIQESA-N 2 2 273.384 0.880 20 0 CCADLP COC(=O)[C@H]1C[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CCN1C ZINC001169152590 836154904 /nfs/dbraw/zinc/15/49/04/836154904.db2.gz CLRXFPHVIVCEQA-ZOBORPQBSA-N 2 2 281.400 0.401 20 0 CCADLP COC(=O)[C@H]1C[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CCN1C ZINC001169152590 836154908 /nfs/dbraw/zinc/15/49/08/836154908.db2.gz CLRXFPHVIVCEQA-ZOBORPQBSA-N 2 2 281.400 0.401 20 0 CCADLP COC(=O)[C@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCN1C ZINC001169152590 836154910 /nfs/dbraw/zinc/15/49/10/836154910.db2.gz CLRXFPHVIVCEQA-ZOBORPQBSA-N 2 2 281.400 0.401 20 0 CCADLP COC(=O)[C@H]1C[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCN1C ZINC001169152590 836154912 /nfs/dbraw/zinc/15/49/12/836154912.db2.gz CLRXFPHVIVCEQA-ZOBORPQBSA-N 2 2 281.400 0.401 20 0 CCADLP COC(=O)[C@H]1C[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CCN1C ZINC001169152589 836155511 /nfs/dbraw/zinc/15/55/11/836155511.db2.gz CLRXFPHVIVCEQA-XJFOESAGSA-N 2 2 281.400 0.401 20 0 CCADLP COC(=O)[C@H]1C[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3C)CCN1C ZINC001169152589 836155512 /nfs/dbraw/zinc/15/55/12/836155512.db2.gz CLRXFPHVIVCEQA-XJFOESAGSA-N 2 2 281.400 0.401 20 0 CCADLP COC(=O)[C@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCN1C ZINC001169152589 836155515 /nfs/dbraw/zinc/15/55/15/836155515.db2.gz CLRXFPHVIVCEQA-XJFOESAGSA-N 2 2 281.400 0.401 20 0 CCADLP COC(=O)[C@H]1C[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCN1C ZINC001169152589 836155519 /nfs/dbraw/zinc/15/55/19/836155519.db2.gz CLRXFPHVIVCEQA-XJFOESAGSA-N 2 2 281.400 0.401 20 0 CCADLP CC[C@H](C[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1)OC ZINC001169212849 836162269 /nfs/dbraw/zinc/16/22/69/836162269.db2.gz XVDFCXQLPHUWKY-LLVKDONJSA-N 2 2 268.361 0.473 20 0 CCADLP CC[NH+]1CCC([N@@H+]2CC[C@@H](O)[C@](C)(CO)C2)CC1 ZINC001169246202 836174123 /nfs/dbraw/zinc/17/41/23/836174123.db2.gz PKHWHLLPOMDHSG-KGLIPLIRSA-N 2 2 256.390 0.536 20 0 CCADLP CC[NH+]1CCC([N@H+]2CC[C@@H](O)[C@](C)(CO)C2)CC1 ZINC001169246202 836174129 /nfs/dbraw/zinc/17/41/29/836174129.db2.gz PKHWHLLPOMDHSG-KGLIPLIRSA-N 2 2 256.390 0.536 20 0 CCADLP Cc1nc(NC[C@H](C)NC(=O)COCC[NH+](C)C)cc[nH+]1 ZINC001108453375 836186873 /nfs/dbraw/zinc/18/68/73/836186873.db2.gz BRHUGUIIOAOMMW-NSHDSACASA-N 2 2 295.387 0.280 20 0 CCADLP CCN(CC)C(=O)C[C@H](C)[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001169488090 836319375 /nfs/dbraw/zinc/31/93/75/836319375.db2.gz XCGMYSVTDIUAKS-AWEZNQCLSA-N 2 2 296.459 0.565 20 0 CCADLP [NH3+][C@@H]1C[C@H]1[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169734714 836434229 /nfs/dbraw/zinc/43/42/29/836434229.db2.gz CUTKHRRDZXXXDC-MGPQQGTHSA-N 2 2 259.353 0.980 20 0 CCADLP COCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001109218622 836638365 /nfs/dbraw/zinc/63/83/65/836638365.db2.gz OXEFJPPVSKUWLM-AGIUHOORSA-N 2 2 292.383 0.710 20 0 CCADLP COCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C2 ZINC001109218622 836638372 /nfs/dbraw/zinc/63/83/72/836638372.db2.gz OXEFJPPVSKUWLM-AGIUHOORSA-N 2 2 292.383 0.710 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCO ZINC001110051180 836774783 /nfs/dbraw/zinc/77/47/83/836774783.db2.gz RIBBDKXXCJRHGJ-XBFCOCLRSA-N 2 2 292.383 0.067 20 0 CCADLP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCO ZINC001110051180 836774788 /nfs/dbraw/zinc/77/47/88/836774788.db2.gz RIBBDKXXCJRHGJ-XBFCOCLRSA-N 2 2 292.383 0.067 20 0 CCADLP COCCOc1cc(NC[C@@H]2COCC[NH2+]2)cc[nH+]1 ZINC001170046723 836792194 /nfs/dbraw/zinc/79/21/94/836792194.db2.gz HGNFVLVYEIVXIR-GFCCVEGCSA-N 2 2 267.329 0.507 20 0 CCADLP c1nc2c(c(N[C@@H]3CCC[N@@H+](C4COC4)C3)n1)CC[NH2+]C2 ZINC001157581130 837153669 /nfs/dbraw/zinc/15/36/69/837153669.db2.gz VLIGYRMJAXMYEO-LLVKDONJSA-N 2 2 289.383 0.397 20 0 CCADLP c1nc2c(c(N[C@@H]3CCC[N@H+](C4COC4)C3)n1)CC[NH2+]C2 ZINC001157581130 837153672 /nfs/dbraw/zinc/15/36/72/837153672.db2.gz VLIGYRMJAXMYEO-LLVKDONJSA-N 2 2 289.383 0.397 20 0 CCADLP CC[C@H]1C[C@H]([NH2+]C2(CO)CC[NH+](C)CC2)CCO1 ZINC001170203965 837262770 /nfs/dbraw/zinc/26/27/70/837262770.db2.gz NSTAUUSFUUEQCH-OLZOCXBDSA-N 2 2 256.390 0.990 20 0 CCADLP COc1nc(Cl)nc(C)c1-n1c[nH+]cc1C[C@@H]([NH3+])CO ZINC001158204266 837979990 /nfs/dbraw/zinc/97/99/90/837979990.db2.gz PTKPYEIQOFOXTC-MRVPVSSYSA-N 2 2 297.746 0.495 20 0 CCADLP CN(C)c1cc(Cl)nc(-n2c[nH+]cc2C[C@@H]([NH3+])CO)n1 ZINC001158206135 837989034 /nfs/dbraw/zinc/98/90/34/837989034.db2.gz ADRADMCIBDFNCV-MRVPVSSYSA-N 2 2 296.762 0.244 20 0 CCADLP O=C(NCC[NH2+]C[C@@H]1CCOC1)c1cccc2[nH+]ccn21 ZINC001131273416 838028496 /nfs/dbraw/zinc/02/84/96/838028496.db2.gz KUMQJGOXSIQEQJ-LBPRGKRZSA-N 2 2 288.351 0.690 20 0 CCADLP CCc1nnc(C[NH2+]CCNC(=O)Cn2c[nH+]cc2C)o1 ZINC001131380319 838073912 /nfs/dbraw/zinc/07/39/12/838073912.db2.gz JKTZQFGWBZIVGG-UHFFFAOYSA-N 2 2 292.343 0.043 20 0 CCADLP C[C@H](Nc1cc(N2CCCC2)nc[nH+]1)[C@@H]1C[NH2+]CCO1 ZINC001170563613 838113076 /nfs/dbraw/zinc/11/30/76/838113076.db2.gz MSJUDURQWJZKLG-RYUDHWBXSA-N 2 2 277.372 0.866 20 0 CCADLP C[C@H](Nc1cc(N2CCCC2)[nH+]cn1)[C@@H]1C[NH2+]CCO1 ZINC001170563613 838113081 /nfs/dbraw/zinc/11/30/81/838113081.db2.gz MSJUDURQWJZKLG-RYUDHWBXSA-N 2 2 277.372 0.866 20 0 CCADLP CO[C@H](C)C[NH2+]CCNC(=O)CCc1[nH+]ccn1C ZINC001131641279 838162980 /nfs/dbraw/zinc/16/29/80/838162980.db2.gz MHOCOJUUHKCETR-LLVKDONJSA-N 2 2 268.361 0.093 20 0 CCADLP C[C@@H](O)C[NH2+]CCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001131976033 838280631 /nfs/dbraw/zinc/28/06/31/838280631.db2.gz HJSVKEZFANYPHJ-GFCCVEGCSA-N 2 2 288.351 0.573 20 0 CCADLP CC(C)(C(=O)NCC[NH2+]Cc1csnn1)[NH+]1CCCC1 ZINC001132284094 838351172 /nfs/dbraw/zinc/35/11/72/838351172.db2.gz VWLSRDLMPRZSDO-UHFFFAOYSA-N 2 2 297.428 0.618 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[N@@H+]1CCO ZINC001132545727 838427496 /nfs/dbraw/zinc/42/74/96/838427496.db2.gz FKSQLKXGGKZWNO-KBPBESRZSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[N@H+]1CCO ZINC001132545727 838427498 /nfs/dbraw/zinc/42/74/98/838427498.db2.gz FKSQLKXGGKZWNO-KBPBESRZSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[NH2+]Cc2ncccn2)CC[N@@H+]1C ZINC001132886151 838513418 /nfs/dbraw/zinc/51/34/18/838513418.db2.gz DJSSCAZTWNUKPT-STQMWFEESA-N 2 2 291.399 0.413 20 0 CCADLP C[C@H]1C[C@@H](C(=O)NCC[NH2+]Cc2ncccn2)CC[N@H+]1C ZINC001132886151 838513421 /nfs/dbraw/zinc/51/34/21/838513421.db2.gz DJSSCAZTWNUKPT-STQMWFEESA-N 2 2 291.399 0.413 20 0 CCADLP C[C@@H]([NH2+]CCNC(=O)C1(C[NH+](C)C)CC1)c1csnn1 ZINC001132994799 838533170 /nfs/dbraw/zinc/53/31/70/838533170.db2.gz BZJXPYATCXBYMF-SNVBAGLBSA-N 2 2 297.428 0.647 20 0 CCADLP C[C@H](O)CCC[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC001133664606 838691407 /nfs/dbraw/zinc/69/14/07/838691407.db2.gz VDDSVHJXTCWJTA-RYUDHWBXSA-N 2 2 294.399 0.696 20 0 CCADLP CC[C@@H](C(=O)NCC[NH2+]Cc1nnc(C)s1)[NH+](C)C ZINC001133966005 838796747 /nfs/dbraw/zinc/79/67/47/838796747.db2.gz SXOYLXDMAOUTBA-JTQLQIEISA-N 2 2 285.417 0.393 20 0 CCADLP CC(C)OCC[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001134517874 839000184 /nfs/dbraw/zinc/00/01/84/839000184.db2.gz VEFDIEKIXISWPI-CYBMUJFWSA-N 2 2 282.388 0.965 20 0 CCADLP C[C@H](CC(=O)NCC[NH2+]C[C@H]1CCOC1)n1cc[nH+]c1 ZINC001134517862 839001364 /nfs/dbraw/zinc/00/13/64/839001364.db2.gz UZBRWHKYXBCNKU-CHWSQXEVSA-N 2 2 280.372 0.577 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCO ZINC001134732798 839065170 /nfs/dbraw/zinc/06/51/70/839065170.db2.gz OGTSBMZWMJYJFT-RYUDHWBXSA-N 2 2 295.383 0.498 20 0 CCADLP C[C@H](C[C@@H](C)[NH2+]CCO)NC(=O)CCc1[nH+]ccn1C ZINC001135057169 839143033 /nfs/dbraw/zinc/14/30/33/839143033.db2.gz RTOQNGWIARFNHH-VXGBXAGGSA-N 2 2 282.388 0.218 20 0 CCADLP CCOCCC[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001135072089 839151217 /nfs/dbraw/zinc/15/12/17/839151217.db2.gz OHILREJOLMOBAE-LBPRGKRZSA-N 2 2 282.388 0.721 20 0 CCADLP CCOCCC[NH2+]CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001135072089 839151228 /nfs/dbraw/zinc/15/12/28/839151228.db2.gz OHILREJOLMOBAE-LBPRGKRZSA-N 2 2 282.388 0.721 20 0 CCADLP C[C@H](C[C@@H](C)[NH2+]CCO)NC(=O)CCn1cc[nH+]c1 ZINC001135136517 839168312 /nfs/dbraw/zinc/16/83/12/839168312.db2.gz JCJKAOATCOPKAH-VXGBXAGGSA-N 2 2 268.361 0.138 20 0 CCADLP CC[NH+](CC)CC(=O)NCC[NH2+]Cc1ncc(C)cn1 ZINC001135511419 839282020 /nfs/dbraw/zinc/28/20/20/839282020.db2.gz RPFQFQUPLVFLIC-UHFFFAOYSA-N 2 2 279.388 0.333 20 0 CCADLP Cc1nc(C)c(C[NH2+]CCNC(=O)Cc2[nH]cc[nH+]2)s1 ZINC001135760310 839395060 /nfs/dbraw/zinc/39/50/60/839395060.db2.gz LLZJFAJEXJIDKS-UHFFFAOYSA-N 2 2 293.396 0.932 20 0 CCADLP C[C@@H](C[C@H](C)[NH2+]CCF)NC(=O)Cc1[nH]cc[nH+]1 ZINC001135799596 839418314 /nfs/dbraw/zinc/41/83/14/839418314.db2.gz VZMAKHJXEHCAPG-UWVGGRQHSA-N 2 2 256.325 0.795 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001185586732 844435066 /nfs/dbraw/zinc/43/50/66/844435066.db2.gz WBUOZAKGEWRWNJ-VXGBXAGGSA-N 2 2 292.383 0.667 20 0 CCADLP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc[nH+]c(C)n1 ZINC001170872119 839473737 /nfs/dbraw/zinc/47/37/37/839473737.db2.gz NPHRLNVWEXPMTF-NXEZZACHSA-N 2 2 250.302 0.348 20 0 CCADLP C[C@H](C[C@@H](C)[NH2+]CCO)NC(=O)CCc1c[nH+]cn1C ZINC001136054078 839510336 /nfs/dbraw/zinc/51/03/36/839510336.db2.gz GDTGLGJDGYFYHO-VXGBXAGGSA-N 2 2 282.388 0.218 20 0 CCADLP [NH3+]CCC[C@@H]([NH3+])Nc1cc(N2CCCC2)[nH+]cn1 ZINC001170897666 839542349 /nfs/dbraw/zinc/54/23/49/839542349.db2.gz IOLUWKZKGTXJFK-JTQLQIEISA-N 3 2 250.350 0.512 20 0 CCADLP Cc1[nH+]ccn1-c1cc(N[C@H]([NH3+])CCC[NH3+])ncn1 ZINC001170897175 839543464 /nfs/dbraw/zinc/54/34/64/839543464.db2.gz FJAXUNUUXWHSGY-JTQLQIEISA-N 3 2 261.333 0.406 20 0 CCADLP CCCOC[C@H](O)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001245995684 839579326 /nfs/dbraw/zinc/57/93/26/839579326.db2.gz DOOBKKYDNATLHD-OUAUKWLOSA-N 2 2 284.322 0.904 20 0 CCADLP CC[C@]1(C(=O)OC)C[C@H](NC2CC[NH2+]CC2)C[NH2+]1 ZINC001246071940 839589978 /nfs/dbraw/zinc/58/99/78/839589978.db2.gz DQKOASJFSQOVDE-WCQYABFASA-N 2 2 255.362 0.012 20 0 CCADLP F[C@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCN[C@H](C(F)(F)F)C1 ZINC001246089595 839602899 /nfs/dbraw/zinc/60/28/99/839602899.db2.gz AETDHMHHYNRGDO-KATARQTJSA-N 2 2 269.286 0.959 20 0 CCADLP F[C@]1(C[NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)CCCC[NH2+]C1 ZINC001246111458 839622283 /nfs/dbraw/zinc/62/22/83/839622283.db2.gz JCSRKVIHQHVPLH-CHWSQXEVSA-N 3 2 270.396 0.152 20 0 CCADLP CC(C)CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001090601505 839667455 /nfs/dbraw/zinc/66/74/55/839667455.db2.gz SFTAUQKAONMICF-UONOGXRCSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)CC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001090601505 839667460 /nfs/dbraw/zinc/66/74/60/839667460.db2.gz SFTAUQKAONMICF-UONOGXRCSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001090601398 839667841 /nfs/dbraw/zinc/66/78/41/839667841.db2.gz QMRKHZSWNXBJHL-ZIAGYGMSSA-N 2 2 292.383 0.470 20 0 CCADLP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH]c[nH+]2)[C@H](O)C1 ZINC001090601398 839667845 /nfs/dbraw/zinc/66/78/45/839667845.db2.gz QMRKHZSWNXBJHL-ZIAGYGMSSA-N 2 2 292.383 0.470 20 0 CCADLP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)O1 ZINC001246287312 839761922 /nfs/dbraw/zinc/76/19/22/839761922.db2.gz LUYYTFDELGHERQ-KSTCHIGDSA-N 3 2 271.405 0.441 20 0 CCADLP C[C@H](CC(=O)N1CC[C@@H]([NH2+]CCCO)C1)n1cc[nH+]c1 ZINC001185968472 844478852 /nfs/dbraw/zinc/47/88/52/844478852.db2.gz LGOPWLMXJPOSBN-CHWSQXEVSA-N 2 2 280.372 0.407 20 0 CCADLP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090847773 839852342 /nfs/dbraw/zinc/85/23/42/839852342.db2.gz BLFGOWATWGAOON-ZIAGYGMSSA-N 2 2 294.399 0.481 20 0 CCADLP CC(C)CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H](O)C1 ZINC001090847773 839852348 /nfs/dbraw/zinc/85/23/48/839852348.db2.gz BLFGOWATWGAOON-ZIAGYGMSSA-N 2 2 294.399 0.481 20 0 CCADLP CC(C)([NH3+])CNc1cc(N2CCC(C(N)=O)CC2)[nH+]cn1 ZINC001171191074 840059631 /nfs/dbraw/zinc/05/96/31/840059631.db2.gz IXVWJPSFJSWLGD-UHFFFAOYSA-N 2 2 292.387 0.328 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[NH2+]C[C@H](C)C2)CN1 ZINC001246570565 840061769 /nfs/dbraw/zinc/06/17/69/840061769.db2.gz JPUPBWPQGUZBEX-AVGNSLFASA-N 2 2 269.389 0.211 20 0 CCADLP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CC[NH2+]C[C@H](C)C2)CN1 ZINC001246570565 840061780 /nfs/dbraw/zinc/06/17/80/840061780.db2.gz JPUPBWPQGUZBEX-AVGNSLFASA-N 2 2 269.389 0.211 20 0 CCADLP [NH3+]C[C@]1(F)CCCC[N@@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246573359 840078645 /nfs/dbraw/zinc/07/86/45/840078645.db2.gz BZCPDGJRJLPLKC-CHWSQXEVSA-N 3 2 270.396 0.233 20 0 CCADLP [NH3+]C[C@]1(F)CCCC[N@H+]([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246573359 840078657 /nfs/dbraw/zinc/07/86/57/840078657.db2.gz BZCPDGJRJLPLKC-CHWSQXEVSA-N 3 2 270.396 0.233 20 0 CCADLP Cc1cnc(C[NH2+]CCCNC(=O)Cc2c[nH+]cn2C)o1 ZINC001171237344 840173324 /nfs/dbraw/zinc/17/33/24/840173324.db2.gz GDEWBARNRXSCNF-UHFFFAOYSA-N 2 2 291.355 0.555 20 0 CCADLP CCCC[C@@H]1C[C@@H]([N@@H+]2CCN[C@H](C(=O)OC)C2)CC[NH2+]1 ZINC001246693272 840244166 /nfs/dbraw/zinc/24/41/66/840244166.db2.gz HRKOCSKSWYXCRM-RDBSUJKOSA-N 2 2 283.416 0.744 20 0 CCADLP CCCC[C@@H]1C[C@@H]([N@H+]2CCN[C@H](C(=O)OC)C2)CC[NH2+]1 ZINC001246693272 840244176 /nfs/dbraw/zinc/24/41/76/840244176.db2.gz HRKOCSKSWYXCRM-RDBSUJKOSA-N 2 2 283.416 0.744 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]CCOCC(C)C ZINC001149123169 840326364 /nfs/dbraw/zinc/32/63/64/840326364.db2.gz HQBJDBYNGHBYEC-UHFFFAOYSA-N 2 2 282.388 0.639 20 0 CCADLP CCOC(=O)C1(N)CC[NH+]([C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC001246870148 840368726 /nfs/dbraw/zinc/36/87/26/840368726.db2.gz UTHJRMTZRSDYMQ-VXGBXAGGSA-N 2 2 269.389 0.483 20 0 CCADLP CCOC(=O)C1(C(=O)NCC[N@H+](C)CCC[NH+](C)C)CC1 ZINC001146892694 840406034 /nfs/dbraw/zinc/40/60/34/840406034.db2.gz XYPCLCASMYVNMA-UHFFFAOYSA-N 2 2 299.415 0.329 20 0 CCADLP CCOC(=O)C1(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC1 ZINC001146892694 840406038 /nfs/dbraw/zinc/40/60/38/840406038.db2.gz XYPCLCASMYVNMA-UHFFFAOYSA-N 2 2 299.415 0.329 20 0 CCADLP FC(F)(F)CN1CCC([N@@H+]2C[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246922773 840545176 /nfs/dbraw/zinc/54/51/76/840545176.db2.gz WZCBXCVJGPTDON-MWLCHTKSSA-N 2 2 263.307 0.917 20 0 CCADLP FC(F)(F)CN1CCC([N@H+]2C[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001246922773 840545188 /nfs/dbraw/zinc/54/51/88/840545188.db2.gz WZCBXCVJGPTDON-MWLCHTKSSA-N 2 2 263.307 0.917 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]Cc2nonc2C)C1 ZINC001186452889 844550974 /nfs/dbraw/zinc/55/09/74/844550974.db2.gz VCEBGGNBUZQIPM-GFCCVEGCSA-N 2 2 295.387 0.410 20 0 CCADLP CCOCC[N@@H+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001148352058 840789343 /nfs/dbraw/zinc/78/93/43/840789343.db2.gz ZBVDSEGUSKJUDR-UHFFFAOYSA-N 2 2 292.383 0.523 20 0 CCADLP CCOCC[N@H+]1CCC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001148352058 840789348 /nfs/dbraw/zinc/78/93/48/840789348.db2.gz ZBVDSEGUSKJUDR-UHFFFAOYSA-N 2 2 292.383 0.523 20 0 CCADLP C[NH+](C)CCCCC(=O)NCC[NH2+]Cc1cnsn1 ZINC001148359792 840793035 /nfs/dbraw/zinc/79/30/35/840793035.db2.gz DMTFTRQPJGVDLX-UHFFFAOYSA-N 2 2 285.417 0.476 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1ncccn1 ZINC001148642036 840859524 /nfs/dbraw/zinc/85/95/24/840859524.db2.gz CIJCFXHFDZXSNG-LBPRGKRZSA-N 2 2 279.388 0.585 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH2+][C@@H](C)c1ncccn1 ZINC001148642036 840859530 /nfs/dbraw/zinc/85/95/30/840859530.db2.gz CIJCFXHFDZXSNG-LBPRGKRZSA-N 2 2 279.388 0.585 20 0 CCADLP CCC[N@H+](C)CC(=O)NCC[NH2+]Cc1ccon1 ZINC001148638646 840873412 /nfs/dbraw/zinc/87/34/12/840873412.db2.gz LJFLYMWXKIUQJD-UHFFFAOYSA-N 2 2 254.334 0.222 20 0 CCADLP CCC[N@@H+](C)CC(=O)NCC[NH2+]Cc1ccon1 ZINC001148638646 840873426 /nfs/dbraw/zinc/87/34/26/840873426.db2.gz LJFLYMWXKIUQJD-UHFFFAOYSA-N 2 2 254.334 0.222 20 0 CCADLP COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@]2(C(C)C)CCC[NH2+]C2)C1 ZINC001161139435 840875321 /nfs/dbraw/zinc/87/53/21/840875321.db2.gz TXMJNGIUMCBEMV-LSDHHAIUSA-N 2 2 297.399 0.115 20 0 CCADLP CC[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001092319276 841007858 /nfs/dbraw/zinc/00/78/58/841007858.db2.gz NMBWBZHAQNBORJ-OCCSQVGLSA-N 2 2 262.357 0.683 20 0 CCADLP CC[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001092319276 841007865 /nfs/dbraw/zinc/00/78/65/841007865.db2.gz NMBWBZHAQNBORJ-OCCSQVGLSA-N 2 2 262.357 0.683 20 0 CCADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC[C@@H]1CCCS1(=O)=O ZINC000714329159 841193095 /nfs/dbraw/zinc/19/30/95/841193095.db2.gz ZGEPTUUDZBHEQK-UPJWGTAASA-N 2 2 290.429 0.310 20 0 CCADLP COCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC001036851255 841392983 /nfs/dbraw/zinc/39/29/83/841392983.db2.gz JNTWNNRIAKIHCX-CHWSQXEVSA-N 2 2 292.383 0.521 20 0 CCADLP COCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC001036851255 841392995 /nfs/dbraw/zinc/39/29/95/841392995.db2.gz JNTWNNRIAKIHCX-CHWSQXEVSA-N 2 2 292.383 0.521 20 0 CCADLP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCC[NH+](CCO)CCO)C2 ZINC001172103755 841846615 /nfs/dbraw/zinc/84/66/15/841846615.db2.gz XKQCIHYUVLINQE-PHZGNYQRSA-N 3 2 299.459 0.268 20 0 CCADLP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCC[NH+](CCO)CCO)C2 ZINC001172103755 841846620 /nfs/dbraw/zinc/84/66/20/841846620.db2.gz XKQCIHYUVLINQE-PHZGNYQRSA-N 3 2 299.459 0.268 20 0 CCADLP C[N@H+](CCO)CCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172110870 841848833 /nfs/dbraw/zinc/84/88/33/841848833.db2.gz QHABXAJHJSKDGB-QKDCVEJESA-N 3 2 269.433 0.906 20 0 CCADLP C[N@@H+](CCO)CCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172110870 841848836 /nfs/dbraw/zinc/84/88/36/841848836.db2.gz QHABXAJHJSKDGB-QKDCVEJESA-N 3 2 269.433 0.906 20 0 CCADLP C[NH+](CCO)CCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172110870 841848838 /nfs/dbraw/zinc/84/88/38/841848838.db2.gz QHABXAJHJSKDGB-QKDCVEJESA-N 3 2 269.433 0.906 20 0 CCADLP C[NH+](CCO)CCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172110870 841848842 /nfs/dbraw/zinc/84/88/42/841848842.db2.gz QHABXAJHJSKDGB-QKDCVEJESA-N 3 2 269.433 0.906 20 0 CCADLP COCCC[NH+]1CCC([NH2+][C@@H]2COC(=O)C2)CC1 ZINC001172247358 841910684 /nfs/dbraw/zinc/91/06/84/841910684.db2.gz MRRZSBNGSZFEDB-LBPRGKRZSA-N 2 2 256.346 0.392 20 0 CCADLP COC(=O)[C@@H](CCC[NH3+])[NH2+][C@H](C)CCC(=O)OC(C)C ZINC001172746227 841966125 /nfs/dbraw/zinc/96/61/25/841966125.db2.gz MOSGAMNCIOFROZ-VXGBXAGGSA-N 2 2 288.388 0.977 20 0 CCADLP CC(C)(C)OC(=O)C[NH+]1CCC(n2nncc2C[NH3+])CC1 ZINC001172889027 841981608 /nfs/dbraw/zinc/98/16/08/841981608.db2.gz OUYCOFLGJFFVJG-UHFFFAOYSA-N 2 2 295.387 0.715 20 0 CCADLP COC(=O)[C@@H]1C[C@@H]([NH2+][C@H](C)C[NH+](C)C)C[C@@H]1C(=O)OC ZINC001173566760 842103903 /nfs/dbraw/zinc/10/39/03/842103903.db2.gz QHIDFZBOSHTKTE-KKOKHZNYSA-N 2 2 286.372 0.267 20 0 CCADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173735529 842134653 /nfs/dbraw/zinc/13/46/53/842134653.db2.gz UKWDIYULUKASDF-AVGNSLFASA-N 2 2 264.377 0.841 20 0 CCADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173735529 842134656 /nfs/dbraw/zinc/13/46/56/842134656.db2.gz UKWDIYULUKASDF-AVGNSLFASA-N 2 2 264.377 0.841 20 0 CCADLP CCOCC[NH2+]CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001174692493 842200548 /nfs/dbraw/zinc/20/05/48/842200548.db2.gz UQFOCYJYKUXHBY-UHFFFAOYSA-N 2 2 268.361 0.393 20 0 CCADLP COCC[NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001176167021 842334695 /nfs/dbraw/zinc/33/46/95/842334695.db2.gz VZEJCWWVKNINSK-ZDUSSCGKSA-N 2 2 296.415 0.874 20 0 CCADLP CC[NH+](CC)CC(=O)N1CC[C@@H]2OCC[N@@H+](CC)[C@@H]2C1 ZINC001177119511 842502213 /nfs/dbraw/zinc/50/22/13/842502213.db2.gz OKBLYTAPAQXNJU-KGLIPLIRSA-N 2 2 283.416 0.650 20 0 CCADLP C[C@H](O)CCC[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177406376 842581111 /nfs/dbraw/zinc/58/11/11/842581111.db2.gz WEZYJJXQEMJPNP-LBPRGKRZSA-N 2 2 268.361 0.140 20 0 CCADLP C[C@@H](F)CC[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177406385 842581334 /nfs/dbraw/zinc/58/13/34/842581334.db2.gz WNVJEHVKFDRQGK-LLVKDONJSA-N 2 2 256.325 0.727 20 0 CCADLP C[C@@H]([NH2+]CCCNC(=O)Cn1cc[nH+]c1)c1cnccn1 ZINC001177406290 842581466 /nfs/dbraw/zinc/58/14/66/842581466.db2.gz VSJDXXLGGVYBIP-GFCCVEGCSA-N 2 2 288.355 0.530 20 0 CCADLP CN(CC(=O)N1CC[NH+]2CCC1CC2)c1cccc[nH+]1 ZINC001177412035 842585677 /nfs/dbraw/zinc/58/56/77/842585677.db2.gz GTZHHVJJAUYQHA-UHFFFAOYSA-N 2 2 274.368 0.824 20 0 CCADLP Cc1nc(C[NH2+]CCCNC(=O)Cn2cc[nH+]c2)cs1 ZINC001177415188 842587423 /nfs/dbraw/zinc/58/74/23/842587423.db2.gz QANCFUUJSWRCBU-UHFFFAOYSA-N 2 2 293.396 0.944 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]([NH2+]CCCO)[C@@H]1C ZINC001179688772 843033607 /nfs/dbraw/zinc/03/36/07/843033607.db2.gz INKFIPMJNCYAPD-DYEKYZERSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]([NH2+]CCCO)[C@@H]1C ZINC001179688772 843033617 /nfs/dbraw/zinc/03/36/17/843033617.db2.gz INKFIPMJNCYAPD-DYEKYZERSA-N 2 2 294.399 0.550 20 0 CCADLP COC[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC001179783509 843048672 /nfs/dbraw/zinc/04/86/72/843048672.db2.gz SKERECBQMSGPMD-WOPDTQHZSA-N 2 2 280.372 0.566 20 0 CCADLP CCOCCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C ZINC001179783543 843049009 /nfs/dbraw/zinc/04/90/09/843049009.db2.gz UQICEPKAVSIUIQ-STQMWFEESA-N 2 2 294.399 0.958 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCCCCCC[NH2+]CCCO ZINC001180065238 843102415 /nfs/dbraw/zinc/10/24/15/843102415.db2.gz KKJVGNYIVBZFHS-UHFFFAOYSA-N 2 2 296.415 0.611 20 0 CCADLP C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2)[C@H]1C ZINC001180275554 843124718 /nfs/dbraw/zinc/12/47/18/843124718.db2.gz CNVULQWDKCDWMN-RDBSUJKOSA-N 2 2 294.399 0.623 20 0 CCADLP CC[N@H+](C)[C@H]1CCN(C(=O)/C=C(/C)C[NH+]2CCOCC2)C1 ZINC001181838605 843627329 /nfs/dbraw/zinc/62/73/29/843627329.db2.gz FRCBYMKTAZCCIC-SZGZABIGSA-N 2 2 295.427 0.818 20 0 CCADLP CC[N@@H+](C)[C@H]1CCN(C(=O)/C=C(/C)C[NH+]2CCOCC2)C1 ZINC001181838605 843627331 /nfs/dbraw/zinc/62/73/31/843627331.db2.gz FRCBYMKTAZCCIC-SZGZABIGSA-N 2 2 295.427 0.818 20 0 CCADLP COc1cc(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc2c1OCO2 ZINC001206464456 843629108 /nfs/dbraw/zinc/62/91/08/843629108.db2.gz ORKPIGBRKQBIPB-WDEREUQCSA-N 2 2 280.324 0.175 20 0 CCADLP COc1cc(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)cc2c1OCO2 ZINC001206464456 843629111 /nfs/dbraw/zinc/62/91/11/843629111.db2.gz ORKPIGBRKQBIPB-WDEREUQCSA-N 2 2 280.324 0.175 20 0 CCADLP CCOC(=O)c1c(C)[nH]c(C[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1C ZINC001206464528 843629644 /nfs/dbraw/zinc/62/96/44/843629644.db2.gz PSGYAINGLOUXMO-WCQYABFASA-N 2 2 295.383 0.560 20 0 CCADLP CCOC(=O)c1c(C)[nH]c(C[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c1C ZINC001206464528 843629647 /nfs/dbraw/zinc/62/96/47/843629647.db2.gz PSGYAINGLOUXMO-WCQYABFASA-N 2 2 295.383 0.560 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC2CC2)CC1 ZINC001182554218 843853382 /nfs/dbraw/zinc/85/33/82/843853382.db2.gz IGMZQARVCIXRFY-ZDUSSCGKSA-N 2 2 251.374 0.635 20 0 CCADLP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC2CC2)CC1 ZINC001182554218 843853392 /nfs/dbraw/zinc/85/33/92/843853392.db2.gz IGMZQARVCIXRFY-ZDUSSCGKSA-N 2 2 251.374 0.635 20 0 CCADLP CC(C)[N@@H+]1CC[C@H]1C(=O)n1c(=N)sc2c1CC[C@H]([NH3+])C2 ZINC001182861994 843930364 /nfs/dbraw/zinc/93/03/64/843930364.db2.gz ODJHAZJTVIRYFD-ONGXEEELSA-N 2 2 294.424 0.968 20 0 CCADLP CC(C)[N@H+]1CC[C@H]1C(=O)n1c(=N)sc2c1CC[C@H]([NH3+])C2 ZINC001182861994 843930367 /nfs/dbraw/zinc/93/03/67/843930367.db2.gz ODJHAZJTVIRYFD-ONGXEEELSA-N 2 2 294.424 0.968 20 0 CCADLP CCOCCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001188375661 844876132 /nfs/dbraw/zinc/87/61/32/844876132.db2.gz JFVSNNFSADUXIH-CYBMUJFWSA-N 2 2 280.372 0.500 20 0 CCADLP CN(CCC[N@H+](C)CCCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001273566794 844957560 /nfs/dbraw/zinc/95/75/60/844957560.db2.gz YUWNCQLBHRWRBS-UHFFFAOYSA-N 2 2 268.361 0.115 20 0 CCADLP CN(CCC[N@@H+](C)CCCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001273566794 844957563 /nfs/dbraw/zinc/95/75/63/844957563.db2.gz YUWNCQLBHRWRBS-UHFFFAOYSA-N 2 2 268.361 0.115 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC001203284662 845169384 /nfs/dbraw/zinc/16/93/84/845169384.db2.gz KKQWLAXGVUTBIK-GFCCVEGCSA-N 2 2 265.357 0.922 20 0 CCADLP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC001203284662 845169387 /nfs/dbraw/zinc/16/93/87/845169387.db2.gz KKQWLAXGVUTBIK-GFCCVEGCSA-N 2 2 265.357 0.922 20 0 CCADLP CC(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192581220 845878649 /nfs/dbraw/zinc/87/86/49/845878649.db2.gz WUCQDEHQENYWSY-CHWSQXEVSA-N 2 2 294.399 0.550 20 0 CCADLP CC(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001192581220 845878656 /nfs/dbraw/zinc/87/86/56/845878656.db2.gz WUCQDEHQENYWSY-CHWSQXEVSA-N 2 2 294.399 0.550 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]([N@H+](C)CCCO)C1 ZINC001192779928 845907363 /nfs/dbraw/zinc/90/73/63/845907363.db2.gz XUCAIUQOAMIKDT-JSGCOSHPSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]([N@@H+](C)CCCO)C1 ZINC001192779928 845907367 /nfs/dbraw/zinc/90/73/67/845907367.db2.gz XUCAIUQOAMIKDT-JSGCOSHPSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]([N@H+](C)CCCO)C1 ZINC001192779928 845907368 /nfs/dbraw/zinc/90/73/68/845907368.db2.gz XUCAIUQOAMIKDT-JSGCOSHPSA-N 2 2 294.399 0.503 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]([N@@H+](C)CCCO)C1 ZINC001192779928 845907373 /nfs/dbraw/zinc/90/73/73/845907373.db2.gz XUCAIUQOAMIKDT-JSGCOSHPSA-N 2 2 294.399 0.503 20 0 CCADLP COCC[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001193463193 846083555 /nfs/dbraw/zinc/08/35/55/846083555.db2.gz RRNCSFXOAUQYPS-LBPRGKRZSA-N 2 2 280.372 0.142 20 0 CCADLP COCC[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001193463193 846083561 /nfs/dbraw/zinc/08/35/61/846083561.db2.gz RRNCSFXOAUQYPS-LBPRGKRZSA-N 2 2 280.372 0.142 20 0 CCADLP CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001193602143 846138469 /nfs/dbraw/zinc/13/84/69/846138469.db2.gz RYJNSHCZLBECRW-CHWSQXEVSA-N 2 2 280.372 0.304 20 0 CCADLP CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001193602143 846138473 /nfs/dbraw/zinc/13/84/73/846138473.db2.gz RYJNSHCZLBECRW-CHWSQXEVSA-N 2 2 280.372 0.304 20 0 CCADLP CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001193602143 846138479 /nfs/dbraw/zinc/13/84/79/846138479.db2.gz RYJNSHCZLBECRW-CHWSQXEVSA-N 2 2 280.372 0.304 20 0 CCADLP CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001193602143 846138483 /nfs/dbraw/zinc/13/84/83/846138483.db2.gz RYJNSHCZLBECRW-CHWSQXEVSA-N 2 2 280.372 0.304 20 0 CCADLP CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCC[NH+](C)C ZINC001273712417 846686703 /nfs/dbraw/zinc/68/67/03/846686703.db2.gz VNCQNIFFPCYMBL-NWANDNLSSA-N 2 2 295.427 0.981 20 0 CCADLP CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCC[NH+](C)C ZINC001273712417 846686707 /nfs/dbraw/zinc/68/67/07/846686707.db2.gz VNCQNIFFPCYMBL-NWANDNLSSA-N 2 2 295.427 0.981 20 0 CCADLP CO[C@@H](C)C[NH2+]CCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001152618871 847342970 /nfs/dbraw/zinc/34/29/70/847342970.db2.gz TXSFMQFHEANYDU-GXTWGEPZSA-N 2 2 294.399 0.425 20 0 CCADLP C[C@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001251960779 847461276 /nfs/dbraw/zinc/46/12/76/847461276.db2.gz RWYSGHQWFPCLNW-MELADBBJSA-N 2 2 261.369 0.826 20 0 CCADLP C[C@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001251960779 847461278 /nfs/dbraw/zinc/46/12/78/847461278.db2.gz RWYSGHQWFPCLNW-MELADBBJSA-N 2 2 261.369 0.826 20 0 CCADLP C[C@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2C1 ZINC001251960779 847461282 /nfs/dbraw/zinc/46/12/82/847461282.db2.gz RWYSGHQWFPCLNW-MELADBBJSA-N 2 2 261.369 0.826 20 0 CCADLP C[C@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2C1 ZINC001251960779 847461284 /nfs/dbraw/zinc/46/12/84/847461284.db2.gz RWYSGHQWFPCLNW-MELADBBJSA-N 2 2 261.369 0.826 20 0 CCADLP Cc1[nH+]cn(-c2cc[nH+]c(N3CC[NH+](C)CC3)c2)c1N ZINC001201656810 847803410 /nfs/dbraw/zinc/80/34/10/847803410.db2.gz ADAOUVFXXXFARS-UHFFFAOYSA-N 3 2 272.356 0.910 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N1CCC([NH2+]CCCO)CC1 ZINC001201743069 847809778 /nfs/dbraw/zinc/80/97/78/847809778.db2.gz AWFHLNGVCZUDKF-UHFFFAOYSA-N 2 2 294.399 0.316 20 0 CCADLP COCC[NH2+]C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001201892687 847823516 /nfs/dbraw/zinc/82/35/16/847823516.db2.gz IBIKOGSCSYHNSK-UHFFFAOYSA-N 2 2 280.372 0.500 20 0 CCADLP CCCC[NH2+][C@]1(CO)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001273928682 847860618 /nfs/dbraw/zinc/86/06/18/847860618.db2.gz CQACFUXTDBFDTD-OAHLLOKOSA-N 2 2 294.399 0.695 20 0 CCADLP O=C(Cn1cc[nH+]c1)N1CCCO[C@@H](C[NH2+]CCCF)C1 ZINC001202217299 847868576 /nfs/dbraw/zinc/86/85/76/847868576.db2.gz PATMCLZPSPZMJO-ZDUSSCGKSA-N 2 2 298.362 0.450 20 0 CCADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@H](O)c1ccccc1F ZINC000717299523 848223277 /nfs/dbraw/zinc/22/32/77/848223277.db2.gz WGGJIURGMHSABT-MFKMUULPSA-N 2 2 256.321 0.371 20 0 CCADLP O=C1CO[C@]2(CC[N@@H+](C3CC3)C2)CN1CCn1cc[nH+]c1 ZINC001274015598 848302222 /nfs/dbraw/zinc/30/22/22/848302222.db2.gz DWJDCTVNLNNRSN-HNNXBMFYSA-N 2 2 290.367 0.349 20 0 CCADLP O=C1CO[C@]2(CC[N@H+](C3CC3)C2)CN1CCn1cc[nH+]c1 ZINC001274015598 848302233 /nfs/dbraw/zinc/30/22/33/848302233.db2.gz DWJDCTVNLNNRSN-HNNXBMFYSA-N 2 2 290.367 0.349 20 0 CCADLP COCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001274132815 848356433 /nfs/dbraw/zinc/35/64/33/848356433.db2.gz DMELHMFNVADMTF-XQJDBVBESA-N 2 2 292.383 0.354 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC/C=C/C[NH2+]C/C=C/Cl ZINC001274464895 848483068 /nfs/dbraw/zinc/48/30/68/848483068.db2.gz RHYADDJDQQFYMJ-MVJNYCIBSA-N 2 2 268.748 0.967 20 0 CCADLP CCC[NH2+]C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001274858400 848578006 /nfs/dbraw/zinc/57/80/06/848578006.db2.gz NYUVNLZEOAMOSC-LLVKDONJSA-N 2 2 252.362 0.857 20 0 CCADLP COCC[N@@H+]1CCC[C@]2(CCC[NH+](CC(=O)N(C)C)C2)C1 ZINC001274981130 848606296 /nfs/dbraw/zinc/60/62/96/848606296.db2.gz ZYCZFYNMRXQOTB-INIZCTEOSA-N 2 2 297.443 0.899 20 0 CCADLP COCC[N@H+]1CCC[C@]2(CCC[NH+](CC(=O)N(C)C)C2)C1 ZINC001274981130 848606298 /nfs/dbraw/zinc/60/62/98/848606298.db2.gz ZYCZFYNMRXQOTB-INIZCTEOSA-N 2 2 297.443 0.899 20 0 CCADLP COCC[NH+]1CCC[C@]2(CCC[N@H+](CC(=O)N(C)C)C2)C1 ZINC001274981130 848606300 /nfs/dbraw/zinc/60/63/00/848606300.db2.gz ZYCZFYNMRXQOTB-INIZCTEOSA-N 2 2 297.443 0.899 20 0 CCADLP COCC[NH+]1CCC[C@]2(CCC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001274981130 848606302 /nfs/dbraw/zinc/60/63/02/848606302.db2.gz ZYCZFYNMRXQOTB-INIZCTEOSA-N 2 2 297.443 0.899 20 0 CCADLP COCCOC[NH+]1CC2(C1)CC[NH+](Cc1cn[nH]c1)CC2 ZINC001275211551 848666764 /nfs/dbraw/zinc/66/67/64/848666764.db2.gz ABSDUJQRSCBXKO-UHFFFAOYSA-N 2 2 294.399 0.928 20 0 CCADLP C[C@H](C[N@H+](C)CCO)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001275673049 848788838 /nfs/dbraw/zinc/78/88/38/848788838.db2.gz ONVIBYPCPCNFCU-GHMZBOCLSA-N 2 2 268.361 0.017 20 0 CCADLP C[C@H](C[N@@H+](C)CCO)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001275673049 848788840 /nfs/dbraw/zinc/78/88/40/848788840.db2.gz ONVIBYPCPCNFCU-GHMZBOCLSA-N 2 2 268.361 0.017 20 0 CCADLP C[C@H](C[N@H+](C)CCO)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001275673049 848788842 /nfs/dbraw/zinc/78/88/42/848788842.db2.gz ONVIBYPCPCNFCU-GHMZBOCLSA-N 2 2 268.361 0.017 20 0 CCADLP C[C@H](C[N@@H+](C)CCO)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001275673049 848788844 /nfs/dbraw/zinc/78/88/44/848788844.db2.gz ONVIBYPCPCNFCU-GHMZBOCLSA-N 2 2 268.361 0.017 20 0 CCADLP C[NH+](C)CCN1CC2(C1)CCC[N@H+](Cc1ncc[nH]1)C2 ZINC001275847445 848845555 /nfs/dbraw/zinc/84/55/55/848845555.db2.gz RGJZIOXGWBSIPG-UHFFFAOYSA-N 2 2 277.416 0.869 20 0 CCADLP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1ncc[nH]1)C2 ZINC001275847445 848845561 /nfs/dbraw/zinc/84/55/61/848845561.db2.gz RGJZIOXGWBSIPG-UHFFFAOYSA-N 2 2 277.416 0.869 20 0 CCADLP CO[C@@H]1CC[C@@H](C)[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000687190043 849095459 /nfs/dbraw/zinc/09/54/59/849095459.db2.gz DWGAXNVYUJGVDD-KWCYVHTRSA-N 2 2 256.390 0.941 20 0 CCADLP CO[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000687190043 849095467 /nfs/dbraw/zinc/09/54/67/849095467.db2.gz DWGAXNVYUJGVDD-KWCYVHTRSA-N 2 2 256.390 0.941 20 0 CCADLP CO[C@@H]1CC[C@@H](C)[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000687190043 849095473 /nfs/dbraw/zinc/09/54/73/849095473.db2.gz DWGAXNVYUJGVDD-KWCYVHTRSA-N 2 2 256.390 0.941 20 0 CCADLP CO[C@@H]1CC[C@@H](C)[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000687190043 849095480 /nfs/dbraw/zinc/09/54/80/849095480.db2.gz DWGAXNVYUJGVDD-KWCYVHTRSA-N 2 2 256.390 0.941 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCF ZINC001095768561 849136898 /nfs/dbraw/zinc/13/68/98/849136898.db2.gz IUVZCBDJFBSKNG-AGIUHOORSA-N 2 2 280.347 0.883 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCF ZINC001095768561 849136902 /nfs/dbraw/zinc/13/69/02/849136902.db2.gz IUVZCBDJFBSKNG-AGIUHOORSA-N 2 2 280.347 0.883 20 0 CCADLP C[C@@H](C[NH2+]C1CCN(C(N)=O)CC1)[NH+]1CCCCC1 ZINC000038029102 849300510 /nfs/dbraw/zinc/30/05/10/849300510.db2.gz XBMFKYPWKAIAJK-LBPRGKRZSA-N 2 2 268.405 0.994 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC001114607942 849309605 /nfs/dbraw/zinc/30/96/05/849309605.db2.gz RKDODIPTUKDNIP-VIKVFOODSA-N 2 2 288.395 0.809 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC001114607942 849309615 /nfs/dbraw/zinc/30/96/15/849309615.db2.gz RKDODIPTUKDNIP-VIKVFOODSA-N 2 2 288.395 0.809 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[N@@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000300256621 849365035 /nfs/dbraw/zinc/36/50/35/849365035.db2.gz DNMQFSZZEWNWEQ-IGQOVBAYSA-N 2 2 274.405 0.458 20 0 CCADLP COC[C@H](C)OC[C@H](O)C[N@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000300256621 849365044 /nfs/dbraw/zinc/36/50/44/849365044.db2.gz DNMQFSZZEWNWEQ-IGQOVBAYSA-N 2 2 274.405 0.458 20 0 CCADLP CC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001041758410 850498123 /nfs/dbraw/zinc/49/81/23/850498123.db2.gz KUODRMNBTGNYLA-CQSZACIVSA-N 2 2 262.357 0.897 20 0 CCADLP CC[N@H+]1CC[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001041758410 850498135 /nfs/dbraw/zinc/49/81/35/850498135.db2.gz KUODRMNBTGNYLA-CQSZACIVSA-N 2 2 262.357 0.897 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@]2(CC[N@H+](CCO)C2)C1 ZINC001041807812 850507246 /nfs/dbraw/zinc/50/72/46/850507246.db2.gz SKGAIAFQKUQCLW-OAHLLOKOSA-N 2 2 292.383 0.177 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC001041807812 850507251 /nfs/dbraw/zinc/50/72/51/850507251.db2.gz SKGAIAFQKUQCLW-OAHLLOKOSA-N 2 2 292.383 0.177 20 0 CCADLP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+](CCOC2CCC2)C1 ZINC001042545696 850691769 /nfs/dbraw/zinc/69/17/69/850691769.db2.gz GTQCSMZOHKTETA-OAHLLOKOSA-N 2 2 295.427 0.792 20 0 CCADLP CN(C(=O)[C@H]1CCC[N@H+]1C)C1C[NH+](CCOC2CCC2)C1 ZINC001042545696 850691771 /nfs/dbraw/zinc/69/17/71/850691771.db2.gz GTQCSMZOHKTETA-OAHLLOKOSA-N 2 2 295.427 0.792 20 0 CCADLP CC[C@@H](C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042570556 850699223 /nfs/dbraw/zinc/69/92/23/850699223.db2.gz VJONYWWSIVGSMO-OCCSQVGLSA-N 2 2 283.416 0.506 20 0 CCADLP CC[C@@H](C)C[NH+]1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042570556 850699229 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CCC[NH+]1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001043067807 850807746 /nfs/dbraw/zinc/80/77/46/850807746.db2.gz RNDAVKXURMSWPN-DGCLKSJQSA-N 2 2 269.389 0.258 20 0 CCADLP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+](CCCO)C1 ZINC001043198023 850831782 /nfs/dbraw/zinc/83/17/82/850831782.db2.gz ACHXWJUTCOLPIY-OAHLLOKOSA-N 2 2 297.443 0.632 20 0 CCADLP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C1C[NH+](CCCO)C1 ZINC001043198023 850831786 /nfs/dbraw/zinc/83/17/86/850831786.db2.gz ACHXWJUTCOLPIY-OAHLLOKOSA-N 2 2 297.443 0.632 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001044031445 850989534 /nfs/dbraw/zinc/98/95/34/850989534.db2.gz ZQYQCSACODJRSV-UKRRQHHQSA-N 2 2 295.427 0.792 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001044031445 850989536 /nfs/dbraw/zinc/98/95/36/850989536.db2.gz ZQYQCSACODJRSV-UKRRQHHQSA-N 2 2 295.427 0.792 20 0 CCADLP COCC[NH+]1CC(N(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC001044330206 851078597 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C[C@H](O)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C ZINC001074680627 854766229 /nfs/dbraw/zinc/76/62/29/854766229.db2.gz GJIFNDIIOCJWIN-GVXVVHGQSA-N 2 2 280.372 0.302 20 0 CCADLP C[C@H](O)C[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1C ZINC001074680627 854766233 /nfs/dbraw/zinc/76/62/33/854766233.db2.gz GJIFNDIIOCJWIN-GVXVVHGQSA-N 2 2 280.372 0.302 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001074719643 854770027 /nfs/dbraw/zinc/77/00/27/854770027.db2.gz XJLCLSQKDMISPN-OBJOEFQTSA-N 2 2 292.383 0.017 20 0 CCADLP C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001074717220 854770417 /nfs/dbraw/zinc/77/04/17/854770417.db2.gz BJLPFEAPXJZBLW-SCRDCRAPSA-N 2 2 292.383 0.017 20 0 CCADLP CC1(C)CC[C@@H](CNC(=O)Cn2cc[nH+]c2)[N@@H+](CCO)C1 ZINC001099358791 854928369 /nfs/dbraw/zinc/92/83/69/854928369.db2.gz KYZCRWPPQUXIBN-ZDUSSCGKSA-N 2 2 294.399 0.482 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1CC[N@@H+](CC2CC2)C[C@H]1O ZINC001099803654 854999319 /nfs/dbraw/zinc/99/93/19/854999319.db2.gz BISMKLYWOUBCPX-QWHCGFSZSA-N 2 2 292.383 0.304 20 0 CCADLP O=C(CCc1[nH]cc[nH+]1)N[C@H]1CC[N@H+](CC2CC2)C[C@H]1O ZINC001099803654 854999325 /nfs/dbraw/zinc/99/93/25/854999325.db2.gz BISMKLYWOUBCPX-QWHCGFSZSA-N 2 2 292.383 0.304 20 0 CCADLP CO[C@@H](C)C[NH2+]C1CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001100550349 855185682 /nfs/dbraw/zinc/18/56/82/855185682.db2.gz FLURVYLHZUDSLE-HSBZDZAISA-N 2 2 294.399 0.793 20 0 CCADLP C[C@@H]1C[N@H+](CCO)C[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001102176947 855418873 /nfs/dbraw/zinc/41/88/73/855418873.db2.gz AZOSPHVVLLCCEF-CHWSQXEVSA-N 2 2 294.399 0.029 20 0 CCADLP C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001102176947 855418878 /nfs/dbraw/zinc/41/88/78/855418878.db2.gz AZOSPHVVLLCCEF-CHWSQXEVSA-N 2 2 294.399 0.029 20 0 CCADLP C[C@@H]1C[N@H+](CCCF)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102406362 855433444 /nfs/dbraw/zinc/43/34/44/855433444.db2.gz PGKSMUXBTIUPCD-VXGBXAGGSA-N 2 2 282.363 0.996 20 0 CCADLP C[C@@H]1C[N@@H+](CCCF)C[C@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001102406362 855433449 /nfs/dbraw/zinc/43/34/49/855433449.db2.gz PGKSMUXBTIUPCD-VXGBXAGGSA-N 2 2 282.363 0.996 20 0 CCADLP C[C@@H]1C[N@H+](CCF)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001102513541 855442957 /nfs/dbraw/zinc/44/29/57/855442957.db2.gz PHUHZFAKHVICOM-VXGBXAGGSA-N 2 2 282.363 0.616 20 0 CCADLP C[C@@H]1C[N@@H+](CCF)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001102513541 855442960 /nfs/dbraw/zinc/44/29/60/855442960.db2.gz PHUHZFAKHVICOM-VXGBXAGGSA-N 2 2 282.363 0.616 20 0 CCADLP COC1(OC)CCOC[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000698313178 855624675 /nfs/dbraw/zinc/62/46/75/855624675.db2.gz NSVSHWJUCJARBC-LBPRGKRZSA-N 2 2 269.345 0.330 20 0 CCADLP CCOCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC001115016613 855635490 /nfs/dbraw/zinc/63/54/90/855635490.db2.gz ZXYRTOAUNWYROP-JYAVWHMHSA-N 2 2 292.383 0.425 20 0 CCADLP CCOCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cc[nH+]1 ZINC001115016613 855635493 /nfs/dbraw/zinc/63/54/93/855635493.db2.gz ZXYRTOAUNWYROP-JYAVWHMHSA-N 2 2 292.383 0.425 20 0 CCADLP CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]cn1C ZINC001115187930 855651530 /nfs/dbraw/zinc/65/15/30/855651530.db2.gz GRAFNQKPVZYUBG-NHAGDIPZSA-N 2 2 276.384 0.809 20 0 CCADLP CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCc1c[nH+]cn1C ZINC001115187930 855651535 /nfs/dbraw/zinc/65/15/35/855651535.db2.gz GRAFNQKPVZYUBG-NHAGDIPZSA-N 2 2 276.384 0.809 20 0 CCADLP CN(C)c1ncccc1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC001117541332 856009893 /nfs/dbraw/zinc/00/98/93/856009893.db2.gz PKHNHKSHZOMAFC-CQSZACIVSA-N 2 2 266.389 0.550 20 0 CCADLP O=S1(=O)CC[C@@H](C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001118198626 856198232 /nfs/dbraw/zinc/19/82/32/856198232.db2.gz QOROFJQPFSHBJB-NWDGAFQWSA-N 2 2 258.387 0.107 20 0 CCADLP O=S1(=O)CC[C@@H](C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC001118198626 856198236 /nfs/dbraw/zinc/19/82/36/856198236.db2.gz QOROFJQPFSHBJB-NWDGAFQWSA-N 2 2 258.387 0.107 20 0 CCADLP CC(C)C[NH2+]CC(=O)NCC[N@@H+]1CCOC[C@H]1C ZINC001118286718 856244174 /nfs/dbraw/zinc/24/41/74/856244174.db2.gz IUAHOWKCXNLIRK-GFCCVEGCSA-N 2 2 257.378 0.069 20 0 CCADLP CC(C)C[NH2+]CC(=O)NCC[N@H+]1CCOC[C@H]1C ZINC001118286718 856244180 /nfs/dbraw/zinc/24/41/80/856244180.db2.gz IUAHOWKCXNLIRK-GFCCVEGCSA-N 2 2 257.378 0.069 20 0 CCADLP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC001118787859 856442516 /nfs/dbraw/zinc/44/25/16/856442516.db2.gz CHPIORMQOZQGMH-UHFFFAOYSA-N 2 2 283.353 0.749 20 0 CCADLP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001118847694 856463214 /nfs/dbraw/zinc/46/32/14/856463214.db2.gz ASWUOWVNCBOVPA-WOPDTQHZSA-N 2 2 262.357 0.689 20 0 CCADLP CC[C@H]1CN(C(=O)NCc2c[nH+]cn2C)CC[C@@H]1[NH3+] ZINC001119419761 856675283 /nfs/dbraw/zinc/67/52/83/856675283.db2.gz JIUSTAKHKQQWEL-JQWIXIFHSA-N 2 2 265.361 0.689 20 0 CCADLP CC(C)C[C@@H](C[NH2+]CCC(=O)NC(N)=O)[NH+](C)C ZINC001120480175 857084421 /nfs/dbraw/zinc/08/44/21/857084421.db2.gz MQILMPAMXMGYLW-JTQLQIEISA-N 2 2 258.366 0.137 20 0 CCADLP CCOCC[N@@H+]1CC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001323339710 912282003 /nfs/dbraw/zinc/28/20/03/912282003.db2.gz IDNRXHMWUNJWSZ-CQSZACIVSA-N 2 2 294.399 0.580 20 0 CCADLP CCOCC[N@H+]1CC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001323339710 912282019 /nfs/dbraw/zinc/28/20/19/912282019.db2.gz IDNRXHMWUNJWSZ-CQSZACIVSA-N 2 2 294.399 0.580 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@@](C)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001393108609 912396051 /nfs/dbraw/zinc/39/60/51/912396051.db2.gz KCDKDZOUQIMBHK-SWLSCSKDSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@@](C)(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001393108609 912396070 /nfs/dbraw/zinc/39/60/70/912396070.db2.gz KCDKDZOUQIMBHK-SWLSCSKDSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@@](C)(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001393108609 912396090 /nfs/dbraw/zinc/39/60/90/912396090.db2.gz KCDKDZOUQIMBHK-SWLSCSKDSA-N 2 2 294.399 0.958 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@@](C)(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001393108609 912396111 /nfs/dbraw/zinc/39/61/11/912396111.db2.gz KCDKDZOUQIMBHK-SWLSCSKDSA-N 2 2 294.399 0.958 20 0 CCADLP C[NH+](C)Cc1cnc(C[NH2+]CCCS(C)(=O)=O)s1 ZINC001323545612 912405031 /nfs/dbraw/zinc/40/50/31/912405031.db2.gz KRYQRKWLHZDHER-UHFFFAOYSA-N 2 2 291.442 0.729 20 0 CCADLP C[C@@]1(CNC(=O)Cc2[nH]cc[nH+]2)CCC[N@H+](CCO)C1 ZINC001393208858 912434452 /nfs/dbraw/zinc/43/44/52/912434452.db2.gz WJXQOVJVAHTEDM-AWEZNQCLSA-N 2 2 280.372 0.163 20 0 CCADLP C[C@@]1(CNC(=O)Cc2[nH]cc[nH+]2)CCC[N@@H+](CCO)C1 ZINC001393208858 912434462 /nfs/dbraw/zinc/43/44/62/912434462.db2.gz WJXQOVJVAHTEDM-AWEZNQCLSA-N 2 2 280.372 0.163 20 0 CCADLP C[C@@H](C(=O)NCCC[NH+]1CCC(O)CC1)n1cc[nH+]c1 ZINC001323903559 912576856 /nfs/dbraw/zinc/57/68/56/912576856.db2.gz FHJAZXPAFMKBEX-LBPRGKRZSA-N 2 2 280.372 0.407 20 0 CCADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2COCC[NH+]2CC2CC2)C1 ZINC001393527679 912630181 /nfs/dbraw/zinc/63/01/81/912630181.db2.gz OAQXXLGHUOOHAE-UKRRQHHQSA-N 2 2 295.427 0.555 20 0 CCADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2COCC[NH+]2CC2CC2)C1 ZINC001393527679 912630188 /nfs/dbraw/zinc/63/01/88/912630188.db2.gz OAQXXLGHUOOHAE-UKRRQHHQSA-N 2 2 295.427 0.555 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2COCC[N@@H+]2CC2CC2)C1 ZINC001393527679 912630198 /nfs/dbraw/zinc/63/01/98/912630198.db2.gz OAQXXLGHUOOHAE-UKRRQHHQSA-N 2 2 295.427 0.555 20 0 CCADLP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2COCC[N@H+]2CC2CC2)C1 ZINC001393527679 912630209 /nfs/dbraw/zinc/63/02/09/912630209.db2.gz OAQXXLGHUOOHAE-UKRRQHHQSA-N 2 2 295.427 0.555 20 0 CCADLP CC(C)[NH+]1CC(CCO)(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001394156528 913053018 /nfs/dbraw/zinc/05/30/18/913053018.db2.gz HELOZLOOMDUHJB-ZDUSSCGKSA-N 2 2 283.416 0.432 20 0 CCADLP CC(C)[NH+]1CC(CCO)(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001394156528 913053041 /nfs/dbraw/zinc/05/30/41/913053041.db2.gz HELOZLOOMDUHJB-ZDUSSCGKSA-N 2 2 283.416 0.432 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[N@H+](C)CC1CCC1 ZINC001480936128 891894406 /nfs/dbraw/zinc/89/44/06/891894406.db2.gz XAJYLEBECHLVGW-UHFFFAOYSA-N 2 2 264.373 0.811 20 0 CCADLP Cn1c[nH+]cc1CC(=O)NCC[N@@H+](C)CC1CCC1 ZINC001480936128 891894415 /nfs/dbraw/zinc/89/44/15/891894415.db2.gz XAJYLEBECHLVGW-UHFFFAOYSA-N 2 2 264.373 0.811 20 0 CCADLP COCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001283629474 891968884 /nfs/dbraw/zinc/96/88/84/891968884.db2.gz JHZBXWAHGGRWNR-STQMWFEESA-N 2 2 294.399 0.528 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@H+]1CCF ZINC001481072855 892128682 /nfs/dbraw/zinc/12/86/82/892128682.db2.gz ANEFNTOTDUFXAH-LLVKDONJSA-N 2 2 254.309 0.433 20 0 CCADLP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@@H+]1CCF ZINC001481072855 892128691 /nfs/dbraw/zinc/12/86/91/892128691.db2.gz ANEFNTOTDUFXAH-LLVKDONJSA-N 2 2 254.309 0.433 20 0 CCADLP C[C@H](O)CCC[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001481125785 892198266 /nfs/dbraw/zinc/19/82/66/892198266.db2.gz JELRLXZCYBUODD-KBPBESRZSA-N 2 2 294.399 0.482 20 0 CCADLP C[C@H](O)CCC[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001481125785 892198270 /nfs/dbraw/zinc/19/82/70/892198270.db2.gz JELRLXZCYBUODD-KBPBESRZSA-N 2 2 294.399 0.482 20 0 CCADLP Cc1ncc(C[NH2+]CCN(C)C(=O)CCn2cc[nH+]c2)o1 ZINC001481264532 892453559 /nfs/dbraw/zinc/45/35/59/892453559.db2.gz ZLLNXKRFTSFXPZ-UHFFFAOYSA-N 2 2 291.355 0.818 20 0 CCADLP CCOCCC[NH+]1CC(NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001481566507 892841702 /nfs/dbraw/zinc/84/17/02/892841702.db2.gz NNIQOGZUCAHALU-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP CCOCCC[NH+]1CC(NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001481566507 892841718 /nfs/dbraw/zinc/84/17/18/892841718.db2.gz NNIQOGZUCAHALU-CQSZACIVSA-N 2 2 283.416 0.698 20 0 CCADLP C[NH+](C)CCC(=O)NC1C[NH+](C[C@@H]2CCCCO2)C1 ZINC001481580935 892862783 /nfs/dbraw/zinc/86/27/83/892862783.db2.gz HZVKWLDJDYLSRC-ZDUSSCGKSA-N 2 2 269.389 0.308 20 0 CCADLP C[C@H](O)CCC[NH+]1CC(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001481584080 892866504 /nfs/dbraw/zinc/86/65/04/892866504.db2.gz KUXCIWFRXMOWKF-ZDUSSCGKSA-N 2 2 299.459 0.926 20 0 CCADLP C[C@H](O)CCC[NH+]1CC(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001481584080 892866513 /nfs/dbraw/zinc/86/65/13/892866513.db2.gz KUXCIWFRXMOWKF-ZDUSSCGKSA-N 2 2 299.459 0.926 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@@](C)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001481953528 893286949 /nfs/dbraw/zinc/28/69/49/893286949.db2.gz YUWMAZUNGBBCEL-IUODEOHRSA-N 2 2 294.399 0.793 20 0 CCADLP CC(=O)[C@](C)(O)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001363202026 893700958 /nfs/dbraw/zinc/70/09/58/893700958.db2.gz BYKOZNAFCICGSW-HUUCEWRRSA-N 2 2 283.416 0.038 20 0 CCADLP CC(=O)[C@](C)(O)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC001363202026 893700966 /nfs/dbraw/zinc/70/09/66/893700966.db2.gz BYKOZNAFCICGSW-HUUCEWRRSA-N 2 2 283.416 0.038 20 0 CCADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1cnon1 ZINC001483026458 894813814 /nfs/dbraw/zinc/81/38/14/894813814.db2.gz LUEBPHCEOPGEAH-ITDFMYJTSA-N 2 2 293.371 0.316 20 0 CCADLP C[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1cnon1 ZINC001483026458 894813828 /nfs/dbraw/zinc/81/38/28/894813828.db2.gz LUEBPHCEOPGEAH-ITDFMYJTSA-N 2 2 293.371 0.316 20 0 CCADLP Cn1c[nH+]cc1CC(=O)N1CC[C@H](CC[NH2+]CCCO)C1 ZINC001326411970 913939984 /nfs/dbraw/zinc/93/99/84/913939984.db2.gz QCRHSVBCNORXII-ZDUSSCGKSA-N 2 2 294.399 0.173 20 0 CCADLP COCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001409576617 895259481 /nfs/dbraw/zinc/25/94/81/895259481.db2.gz JBXVUHOQXWPUKO-STQMWFEESA-N 2 2 294.399 0.528 20 0 CCADLP COCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001409576617 895259491 /nfs/dbraw/zinc/25/94/91/895259491.db2.gz JBXVUHOQXWPUKO-STQMWFEESA-N 2 2 294.399 0.528 20 0 CCADLP CCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001409703081 895335087 /nfs/dbraw/zinc/33/50/87/895335087.db2.gz SWZQUSCKPWTONS-AWEZNQCLSA-N 2 2 297.443 0.822 20 0 CCADLP CCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001409703081 895335100 /nfs/dbraw/zinc/33/51/00/895335100.db2.gz SWZQUSCKPWTONS-AWEZNQCLSA-N 2 2 297.443 0.822 20 0 CCADLP COC[C@H](C)[NH2+]C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001483270343 895401122 /nfs/dbraw/zinc/40/11/22/895401122.db2.gz UWURQPNWWVODJD-UWVGGRQHSA-N 2 2 254.334 0.081 20 0 CCADLP C[C@@H](C[NH2+]C[C@@H]1CCCOC1)NC(=O)Cn1cc[nH+]c1 ZINC001483299993 895420390 /nfs/dbraw/zinc/42/03/90/895420390.db2.gz MLIRYBBZGUPNFI-STQMWFEESA-N 2 2 280.372 0.404 20 0 CCADLP C[C@@H](C[N@H+](C)C[C@H]1CCOC1)NC(=O)Cc1c[nH+]cn1C ZINC001483409733 895546627 /nfs/dbraw/zinc/54/66/27/895546627.db2.gz TVFVYBGBCPXGET-QWHCGFSZSA-N 2 2 294.399 0.436 20 0 CCADLP C[C@@H](C[N@@H+](C)C[C@H]1CCOC1)NC(=O)Cc1c[nH+]cn1C ZINC001483409733 895546632 /nfs/dbraw/zinc/54/66/32/895546632.db2.gz TVFVYBGBCPXGET-QWHCGFSZSA-N 2 2 294.399 0.436 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H](C[NH2+]Cc1cccnc1)C1CC1 ZINC001483609261 895678598 /nfs/dbraw/zinc/67/85/98/895678598.db2.gz LDAZXNXTBADAFH-OAHLLOKOSA-N 2 2 299.378 0.963 20 0 CCADLP CC[NH2+]C1(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001483746880 895978092 /nfs/dbraw/zinc/97/80/92/895978092.db2.gz CFVWSZTUSCECQE-LLVKDONJSA-N 2 2 262.357 0.704 20 0 CCADLP Cn1cnnc1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC001326583724 914032255 /nfs/dbraw/zinc/03/22/55/914032255.db2.gz NRMLCEPMRGJGKG-YPMHNXCESA-N 2 2 265.361 0.143 20 0 CCADLP Cc1nnc([C@H](C)[NH2+]C2(CNC(=O)CC[NH+](C)C)CC2)o1 ZINC001483765146 896031272 /nfs/dbraw/zinc/03/12/72/896031272.db2.gz UEHKLYSKAMQNOK-JTQLQIEISA-N 2 2 295.387 0.629 20 0 CCADLP O=C(Cn1cc[nH+]c1)N[C@H](C[NH2+]CCO)C1CCCC1 ZINC001484013732 896150894 /nfs/dbraw/zinc/15/08/94/896150894.db2.gz CGULDHCKPNGQQN-CYBMUJFWSA-N 2 2 280.372 0.140 20 0 CCADLP C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCO ZINC001484380168 896371511 /nfs/dbraw/zinc/37/15/11/896371511.db2.gz GUQOILIXSYGFAX-NWDGAFQWSA-N 2 2 294.399 0.364 20 0 CCADLP C[C@H](O)C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001397176469 914079506 /nfs/dbraw/zinc/07/95/06/914079506.db2.gz UGWLQOBBAYVKEQ-SDDRHHMPSA-N 2 2 280.372 0.208 20 0 CCADLP Cc1cn(C(C)(C)C(=O)NC2CC(C[NH2+]CCO)C2)c[nH+]1 ZINC001485094256 896776255 /nfs/dbraw/zinc/77/62/55/896776255.db2.gz PDVBGXODRIUAAZ-UHFFFAOYSA-N 2 2 294.399 0.403 20 0 CCADLP CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001485351917 896982205 /nfs/dbraw/zinc/98/22/05/896982205.db2.gz IEWXNUVFDZNZSJ-QJPTWQEYSA-N 2 2 264.373 0.980 20 0 CCADLP CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001485351917 896982214 /nfs/dbraw/zinc/98/22/14/896982214.db2.gz IEWXNUVFDZNZSJ-QJPTWQEYSA-N 2 2 264.373 0.980 20 0 CCADLP CC(C)OCC[N@H+](C)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001485359802 896984866 /nfs/dbraw/zinc/98/48/66/896984866.db2.gz YNRCANOFKZNUIW-GFCCVEGCSA-N 2 2 282.388 0.814 20 0 CCADLP CC(C)OCC[N@@H+](C)[C@H](C)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001485359802 896984874 /nfs/dbraw/zinc/98/48/74/896984874.db2.gz YNRCANOFKZNUIW-GFCCVEGCSA-N 2 2 282.388 0.814 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCO)C1 ZINC001485696203 897194127 /nfs/dbraw/zinc/19/41/27/897194127.db2.gz QINLPEMSKPXVPM-FDYHWXHSSA-N 2 2 292.383 0.000 20 0 CCADLP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC001326756061 914141772 /nfs/dbraw/zinc/14/17/72/914141772.db2.gz FPFFHVFWECDXTN-LBPRGKRZSA-N 2 2 269.389 0.090 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001485830955 897799172 /nfs/dbraw/zinc/79/91/72/897799172.db2.gz PYBYNLTXWIVWQZ-PWSUYJOCSA-N 2 2 280.372 0.160 20 0 CCADLP CO[C@H](C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001043098611 898047651 /nfs/dbraw/zinc/04/76/51/898047651.db2.gz CBEDGINTMZSSAR-OCCSQVGLSA-N 2 2 283.416 0.648 20 0 CCADLP CO[C@H](C)C[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001043098611 898047665 /nfs/dbraw/zinc/04/76/65/898047665.db2.gz CBEDGINTMZSSAR-OCCSQVGLSA-N 2 2 283.416 0.648 20 0 CCADLP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3C/C=C\Cl)C1 ZINC001032781226 898180924 /nfs/dbraw/zinc/18/09/24/898180924.db2.gz OFPNGUMMVMJIIP-LLPGYVKASA-N 2 2 283.803 0.976 20 0 CCADLP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3C/C=C\Cl)C1 ZINC001032781226 898180935 /nfs/dbraw/zinc/18/09/35/898180935.db2.gz OFPNGUMMVMJIIP-LLPGYVKASA-N 2 2 283.803 0.976 20 0 CCADLP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C/C=C\Cl)C1 ZINC001032781226 898180943 /nfs/dbraw/zinc/18/09/43/898180943.db2.gz OFPNGUMMVMJIIP-LLPGYVKASA-N 2 2 283.803 0.976 20 0 CCADLP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3C/C=C\Cl)C1 ZINC001032781226 898180950 /nfs/dbraw/zinc/18/09/50/898180950.db2.gz OFPNGUMMVMJIIP-LLPGYVKASA-N 2 2 283.803 0.976 20 0 CCADLP CC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CCCO1 ZINC001078434284 898379190 /nfs/dbraw/zinc/37/91/90/898379190.db2.gz BYVKYDOTXAPQNK-CYBMUJFWSA-N 2 2 294.399 0.580 20 0 CCADLP CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CCCO1 ZINC001078497909 898398310 /nfs/dbraw/zinc/39/83/10/898398310.db2.gz BIUYSWCPTSNOCY-ZDUSSCGKSA-N 2 2 280.372 0.190 20 0 CCADLP CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCCO1 ZINC001078513779 898401187 /nfs/dbraw/zinc/40/11/87/898401187.db2.gz AUSPUSDNHXUCPF-LBPRGKRZSA-N 2 2 266.345 0.110 20 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O=C(Cc1[nH]cc[nH+]1)NC[C@@H](CO)[NH2+]Cc1ccccc1 ZINC001410755108 899565016 /nfs/dbraw/zinc/56/50/16/899565016.db2.gz IMDMUUSUNGSAAV-ZDUSSCGKSA-N 2 2 288.351 0.219 20 0 CCADLP CN(C[C@H](O)C[N@@H+](C)CC1CC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001411187933 899720955 /nfs/dbraw/zinc/72/09/55/899720955.db2.gz OJGOONBSRYAZFY-CYBMUJFWSA-N 2 2 280.372 0.113 20 0 CCADLP CC(C)N(CC[N@@H+](C)C[C@H](C)O)C(=O)Cn1cc[nH+]c1 ZINC001411201750 899726957 /nfs/dbraw/zinc/72/69/57/899726957.db2.gz OMCYOHJLJVBHBO-ZDUSSCGKSA-N 2 2 282.388 0.433 20 0 CCADLP CC(C)N(CC[N@H+](C)C[C@H](C)O)C(=O)Cn1cc[nH+]c1 ZINC001411201750 899726962 /nfs/dbraw/zinc/72/69/62/899726962.db2.gz OMCYOHJLJVBHBO-ZDUSSCGKSA-N 2 2 282.388 0.433 20 0 CCADLP COCC[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001488688242 900343659 /nfs/dbraw/zinc/34/36/59/900343659.db2.gz WNDOLHVSWCOQGY-LBPRGKRZSA-N 2 2 280.372 0.440 20 0 CCADLP COCC[N@H+]1CC[C@H]1CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001488688242 900343668 /nfs/dbraw/zinc/34/36/68/900343668.db2.gz WNDOLHVSWCOQGY-LBPRGKRZSA-N 2 2 280.372 0.440 20 0 CCADLP COCC[NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001488860545 900396332 /nfs/dbraw/zinc/39/63/32/900396332.db2.gz KSCKXSAMBWUENJ-XYPYZODXSA-N 2 2 266.345 0.083 20 0 CCADLP CC[N@H+](C)CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001490216647 900585338 /nfs/dbraw/zinc/58/53/38/900585338.db2.gz GVJKVLFWJNPWNU-GFCCVEGCSA-N 2 2 264.373 0.904 20 0 CCADLP CC[N@@H+](C)CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001490216647 900585352 /nfs/dbraw/zinc/58/53/52/900585352.db2.gz GVJKVLFWJNPWNU-GFCCVEGCSA-N 2 2 264.373 0.904 20 0 CCADLP CCc1[nH+]ccn1CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001413539372 903020543 /nfs/dbraw/zinc/02/05/43/903020543.db2.gz ZPYYHYNLHMMONP-UHFFFAOYSA-N 2 2 291.355 0.925 20 0 CCADLP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC[C@@H]1C[NH2+]CCF ZINC001495567802 903315922 /nfs/dbraw/zinc/31/59/22/903315922.db2.gz YNDGQSRXQWMMGY-CHWSQXEVSA-N 2 2 294.374 0.996 20 0 CCADLP C[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CC1CC1 ZINC001491508174 903627779 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905139495 /nfs/dbraw/zinc/13/94/95/905139495.db2.gz FQLHVUFUJDKVFK-OLZOCXBDSA-N 2 2 294.399 0.361 20 0 CCADLP C[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001377819150 905169746 /nfs/dbraw/zinc/16/97/46/905169746.db2.gz LZYFJSLXZJTDMD-WCQYABFASA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001377819150 905169762 /nfs/dbraw/zinc/16/97/62/905169762.db2.gz LZYFJSLXZJTDMD-WCQYABFASA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H](O)C[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001377819150 905169777 /nfs/dbraw/zinc/16/97/77/905169777.db2.gz LZYFJSLXZJTDMD-WCQYABFASA-N 2 2 280.372 0.304 20 0 CCADLP C[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001377819150 905169792 /nfs/dbraw/zinc/16/97/92/905169792.db2.gz LZYFJSLXZJTDMD-WCQYABFASA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H](O)CCC[NH+]1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001377899714 905229491 /nfs/dbraw/zinc/22/94/91/905229491.db2.gz VJPVMVKPZCRRKF-OCCSQVGLSA-N 2 2 283.416 0.432 20 0 CCADLP C[C@@H](O)CCC[NH+]1CC(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001377899714 905229511 /nfs/dbraw/zinc/22/95/11/905229511.db2.gz VJPVMVKPZCRRKF-OCCSQVGLSA-N 2 2 283.416 0.432 20 0 CCADLP [NH3+]C1(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC001336973853 921134447 /nfs/dbraw/zinc/13/44/47/921134447.db2.gz QFXVCWNBWSZCFE-UHFFFAOYSA-N 2 2 263.345 0.721 20 0 CCADLP CC[C@@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]CCF ZINC001378274389 905555720 /nfs/dbraw/zinc/55/57/20/905555720.db2.gz NBSXQNHCYMTFTC-NSHDSACASA-N 2 2 270.352 0.807 20 0 CCADLP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccccn1 ZINC001378344455 905598896 /nfs/dbraw/zinc/59/88/96/905598896.db2.gz NLKAELIVGGJEFZ-CYBMUJFWSA-N 2 2 287.367 0.963 20 0 CCADLP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]Cc1nnc(C)o1 ZINC001378347926 905604087 /nfs/dbraw/zinc/60/40/87/905604087.db2.gz WWXDKBGHBBPWMO-RYUDHWBXSA-N 2 2 295.387 0.314 20 0 CCADLP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1nnc(C)o1 ZINC001378347926 905604100 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C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CC[N@@H+](C)CCF ZINC001379135046 906016267 /nfs/dbraw/zinc/01/62/67/906016267.db2.gz YBQCYFCTYWJEQG-CYBMUJFWSA-N 2 2 289.395 0.314 20 0 CCADLP CC(C)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001379208811 906066633 /nfs/dbraw/zinc/06/66/33/906066633.db2.gz RAMYEBFNIXVMRO-JSGCOSHPSA-N 2 2 294.399 0.168 20 0 CCADLP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]C[C@@H]1CCOC1 ZINC001379322629 906141544 /nfs/dbraw/zinc/14/15/44/906141544.db2.gz IBDIVVGXVMXFCD-OLZOCXBDSA-N 2 2 280.372 0.356 20 0 CCADLP Cc1nnc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)o1 ZINC001379451176 906252794 /nfs/dbraw/zinc/25/27/94/906252794.db2.gz RCLQYSWPUGLJHM-ZWNOBZJWSA-N 2 2 297.403 0.559 20 0 CCADLP Cc1oncc1C[NH2+]C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001379561309 906351451 /nfs/dbraw/zinc/35/14/51/906351451.db2.gz GPRPSTKQSOJMGT-VIFPVBQESA-N 2 2 277.328 0.543 20 0 CCADLP COC[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001380030425 906601054 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COC[C@H](C)[NH2+][C@H](C)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001382083418 907538051 /nfs/dbraw/zinc/53/80/51/907538051.db2.gz CFKLNOIHAJMKJL-NEPJUHHUSA-N 2 2 282.388 0.814 20 0 CCADLP COC[C@H](C)[NH2+][C@H](C)CN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001382083418 907538065 /nfs/dbraw/zinc/53/80/65/907538065.db2.gz CFKLNOIHAJMKJL-NEPJUHHUSA-N 2 2 282.388 0.814 20 0 CCADLP C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CCF ZINC001382124488 907561362 /nfs/dbraw/zinc/56/13/62/907561362.db2.gz BGGLAYPPNIBDIM-IJLUTSLNSA-N 2 2 282.363 0.930 20 0 CCADLP C[C@H](CCNC(=O)CCc1c[nH]c[nH+]1)[NH2+]C[C@@H]1CCOC1 ZINC001492035697 907699042 /nfs/dbraw/zinc/69/90/42/907699042.db2.gz MXKGJZGZRVISCA-OLZOCXBDSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@H](CCNC(=O)CCc1c[nH+]c[nH]1)[NH2+]C[C@@H]1CCOC1 ZINC001492035697 907699055 /nfs/dbraw/zinc/69/90/55/907699055.db2.gz MXKGJZGZRVISCA-OLZOCXBDSA-N 2 2 294.399 0.863 20 0 CCADLP Cc1ncoc1C[NH2+][C@H](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001492090247 907717078 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AWVBEOSDETUFJQ-AWEZNQCLSA-N 2 2 294.399 0.890 20 0 CCADLP CCOCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001316992265 908908929 /nfs/dbraw/zinc/90/89/29/908908929.db2.gz YBAGQCQGORMPSO-CYBMUJFWSA-N 2 2 294.399 0.580 20 0 CCADLP CCOCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001316992265 908908939 /nfs/dbraw/zinc/90/89/39/908908939.db2.gz YBAGQCQGORMPSO-CYBMUJFWSA-N 2 2 294.399 0.580 20 0 CCADLP COCCC[N@@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001317138026 909004793 /nfs/dbraw/zinc/00/47/93/909004793.db2.gz QKSRZLXPUIDGCR-AWEZNQCLSA-N 2 2 294.399 0.748 20 0 CCADLP COCCC[N@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001317138026 909004805 /nfs/dbraw/zinc/00/48/05/909004805.db2.gz QKSRZLXPUIDGCR-AWEZNQCLSA-N 2 2 294.399 0.748 20 0 CCADLP CCOCCCNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001338433727 921465719 /nfs/dbraw/zinc/46/57/19/921465719.db2.gz YQUZIQIJNJHIBZ-UHFFFAOYSA-N 2 2 272.393 0.135 20 0 CCADLP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC001338505962 921491433 /nfs/dbraw/zinc/49/14/33/921491433.db2.gz UAQGBSCBWKTUGS-HOCLYGCPSA-N 3 2 298.475 0.057 20 0 CCADLP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC001338505962 921491443 /nfs/dbraw/zinc/49/14/43/921491443.db2.gz UAQGBSCBWKTUGS-HOCLYGCPSA-N 3 2 298.475 0.057 20 0 CCADLP C[C@@H](CC(=O)N(C)CC[NH2+]C[C@@H]1CCOC1)n1cc[nH+]c1 ZINC001317636513 909430112 /nfs/dbraw/zinc/43/01/12/909430112.db2.gz PVAKEFZTSVFBJB-KBPBESRZSA-N 2 2 294.399 0.919 20 0 CCADLP C[C@@H](CC(=O)N(C)CC[NH2+]C[C@H]1CCOC1)n1cc[nH+]c1 ZINC001317636515 909430388 /nfs/dbraw/zinc/43/03/88/909430388.db2.gz PVAKEFZTSVFBJB-UONOGXRCSA-N 2 2 294.399 0.919 20 0 CCADLP CC[NH+]1CC(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001318160824 909650260 /nfs/dbraw/zinc/65/02/60/909650260.db2.gz COLRSOPQNXNGFU-JTQLQIEISA-N 2 2 250.346 0.656 20 0 CCADLP CC[NH+]1CC(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001318160824 909650265 /nfs/dbraw/zinc/65/02/65/909650265.db2.gz COLRSOPQNXNGFU-JTQLQIEISA-N 2 2 250.346 0.656 20 0 CCADLP CC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CCF)C1)[NH+](C)C ZINC001318443313 909760281 /nfs/dbraw/zinc/76/02/81/909760281.db2.gz VTTUBDCIAQVNFM-NEPJUHHUSA-N 2 2 259.369 0.829 20 0 CCADLP CC[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](CCF)C1)[NH+](C)C ZINC001318443313 909760283 /nfs/dbraw/zinc/76/02/83/909760283.db2.gz VTTUBDCIAQVNFM-NEPJUHHUSA-N 2 2 259.369 0.829 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCC[N@@H+](C[C@H](C)O)C1 ZINC001390062942 910216245 /nfs/dbraw/zinc/21/62/45/910216245.db2.gz MQAMGFQAVUJKMV-WCQYABFASA-N 2 2 294.399 0.470 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCC[N@H+](C[C@H](C)O)C1 ZINC001390062942 910216259 /nfs/dbraw/zinc/21/62/59/910216259.db2.gz MQAMGFQAVUJKMV-WCQYABFASA-N 2 2 294.399 0.470 20 0 CCADLP COCC[N@@H+]1CCCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001390135554 910238872 /nfs/dbraw/zinc/23/88/72/910238872.db2.gz XZIKGIROWOVMAE-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP COCC[N@H+]1CCCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001390135554 910238882 /nfs/dbraw/zinc/23/88/82/910238882.db2.gz XZIKGIROWOVMAE-CQSZACIVSA-N 2 2 294.399 0.890 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001319690656 910259135 /nfs/dbraw/zinc/25/91/35/910259135.db2.gz JWSLHTRGLVFPAY-GXTWGEPZSA-N 2 2 294.399 0.815 20 0 CCADLP COCC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001319690656 910259154 /nfs/dbraw/zinc/25/91/54/910259154.db2.gz JWSLHTRGLVFPAY-GXTWGEPZSA-N 2 2 294.399 0.815 20 0 CCADLP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH2+]Cc1cnc(C)o1 ZINC001390428134 910409180 /nfs/dbraw/zinc/40/91/80/910409180.db2.gz AHKBAKVHCYUBRV-JTQLQIEISA-N 2 2 291.355 0.782 20 0 CCADLP NC(=O)NC1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC001320066490 910445857 /nfs/dbraw/zinc/44/58/57/910445857.db2.gz FFYPKCHMMQWGQS-UHFFFAOYSA-N 2 2 251.334 0.406 20 0 CCADLP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CCC1CCOCC1 ZINC001390475572 910447668 /nfs/dbraw/zinc/44/76/68/910447668.db2.gz BDMVJZJKHFCCEP-GFCCVEGCSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1cnon1 ZINC001390478587 910453967 /nfs/dbraw/zinc/45/39/67/910453967.db2.gz JIMUYDWTMHEHIJ-LLVKDONJSA-N 2 2 297.403 0.642 20 0 CCADLP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]Cc1cnon1 ZINC001390478587 910453977 /nfs/dbraw/zinc/45/39/77/910453977.db2.gz JIMUYDWTMHEHIJ-LLVKDONJSA-N 2 2 297.403 0.642 20 0 CCADLP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1cnsn1)[NH+](C)C ZINC001390512222 910482344 /nfs/dbraw/zinc/48/23/44/910482344.db2.gz ROQFQOSMCYZPRE-MWLCHTKSSA-N 2 2 285.417 0.473 20 0 CCADLP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cnon1 ZINC001390546159 910509431 /nfs/dbraw/zinc/50/94/31/910509431.db2.gz ZMYTYHDLTHKZEH-YPMHNXCESA-N 2 2 295.387 0.538 20 0 CCADLP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cnon1 ZINC001390546159 910509439 /nfs/dbraw/zinc/50/94/39/910509439.db2.gz ZMYTYHDLTHKZEH-YPMHNXCESA-N 2 2 295.387 0.538 20 0 CCADLP C[C@H](O)CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001417758478 921599707 /nfs/dbraw/zinc/59/97/07/921599707.db2.gz VTBDIRSZRHTCOF-UONOGXRCSA-N 2 2 294.399 0.577 20 0 CCADLP C[C@H](O)CCC[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001417758478 921599711 /nfs/dbraw/zinc/59/97/11/921599711.db2.gz VTBDIRSZRHTCOF-UONOGXRCSA-N 2 2 294.399 0.577 20 0 CCADLP Cc1ncoc1C[NH2+]CC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001320652716 910779439 /nfs/dbraw/zinc/77/94/39/910779439.db2.gz OUFUBCPVZLKDJS-LLVKDONJSA-N 2 2 291.355 0.864 20 0 CCADLP Cn1cc[nH+]c1CCC(=O)NCC1C[NH+](CC2CC2)C1 ZINC001391498287 911180935 /nfs/dbraw/zinc/18/09/35/911180935.db2.gz VIMWVLORBAETEA-UHFFFAOYSA-N 2 2 276.384 0.811 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@](C)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001391799128 911404457 /nfs/dbraw/zinc/40/44/57/911404457.db2.gz CBZJPQPJUVFDEY-DOMZBBRYSA-N 2 2 294.399 0.793 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]Cc1cnns1 ZINC001391928719 911464341 /nfs/dbraw/zinc/46/43/41/911464341.db2.gz KJUHKNZVZWHKIS-SECBINFHSA-N 2 2 294.384 0.346 20 0 CCADLP CC(C)C[C@H](C(=O)N[C@@H](C)C[NH2+]CCO)n1cc[nH+]c1 ZINC001321887373 911553011 /nfs/dbraw/zinc/55/30/11/911553011.db2.gz SZIRNMWKXBKSRO-QWHCGFSZSA-N 2 2 282.388 0.557 20 0 CCADLP COc1cc[nH+]cc1CC(=O)N(C)[C@@H](C)C[NH2+]C[C@@H](C)O ZINC001392072747 911560569 /nfs/dbraw/zinc/56/05/69/911560569.db2.gz GEYNHXWFUAOAJD-NWDGAFQWSA-N 2 2 295.383 0.450 20 0 CCADLP CC(C)[C@@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]CCO ZINC001392227898 911645047 /nfs/dbraw/zinc/64/50/47/911645047.db2.gz MOIWHSQJQQPFQB-GFCCVEGCSA-N 2 2 282.388 0.075 20 0 CCADLP CC[C@H](C[N@H+](C)CCN(C)C(=O)Cc1c[nH+]cn1C)OC ZINC001392320296 911723574 /nfs/dbraw/zinc/72/35/74/911723574.db2.gz URUYSRFDOHUAFU-CQSZACIVSA-N 2 2 296.415 0.778 20 0 CCADLP CC[C@H](C[N@@H+](C)CCN(C)C(=O)Cc1c[nH+]cn1C)OC ZINC001392320296 911723580 /nfs/dbraw/zinc/72/35/80/911723580.db2.gz URUYSRFDOHUAFU-CQSZACIVSA-N 2 2 296.415 0.778 20 0 CCADLP Cc1ccncc1C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001392511396 911875492 /nfs/dbraw/zinc/87/54/92/911875492.db2.gz GSUAXFHVODTKGM-GFCCVEGCSA-N 2 2 287.367 0.950 20 0 CCADLP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[NH2+]Cc1coc(C)n1 ZINC001392580224 911953582 /nfs/dbraw/zinc/95/35/82/911953582.db2.gz KRULKGHADPNRFL-JTQLQIEISA-N 2 2 291.355 0.782 20 0 CCADLP CC[C@@H](F)C[NH2+]C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001392608413 911982572 /nfs/dbraw/zinc/98/25/72/911982572.db2.gz NXNRUQHRMVZGEL-WDEREUQCSA-N 2 2 270.352 0.805 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C2CCC2)[nH]1 ZINC001398951392 914972352 /nfs/dbraw/zinc/97/23/52/914972352.db2.gz OVMMIYSSMSMZTR-SNVBAGLBSA-N 2 2 294.403 0.192 20 0 CCADLP Cc1nnc(C[NH2+][C@H](C)CNC(=O)C[N@@H+](C)C2CCC2)[nH]1 ZINC001398951392 914972367 /nfs/dbraw/zinc/97/23/67/914972367.db2.gz OVMMIYSSMSMZTR-SNVBAGLBSA-N 2 2 294.403 0.192 20 0 CCADLP CC1([NH3+])CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001328646422 915330878 /nfs/dbraw/zinc/33/08/78/915330878.db2.gz RWAJTLSFDARNQC-LLVKDONJSA-N 2 2 262.357 0.785 20 0 CCADLP CC[N@H+](C)CCC(=O)NCCN(C)c1cc[nH+]c(C)n1 ZINC001418033726 921772330 /nfs/dbraw/zinc/77/23/30/921772330.db2.gz TWGWONHNCDVDIT-UHFFFAOYSA-N 2 2 279.388 0.679 20 0 CCADLP CC[N@@H+](C)CCC(=O)NCCN(C)c1cc[nH+]c(C)n1 ZINC001418033726 921772338 /nfs/dbraw/zinc/77/23/38/921772338.db2.gz TWGWONHNCDVDIT-UHFFFAOYSA-N 2 2 279.388 0.679 20 0 CCADLP C[C@H](O)C[NH2+]C[C@](C)(NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001400994281 916005241 /nfs/dbraw/zinc/00/52/41/916005241.db2.gz SBPVVBQJNCCFJX-WFASDCNBSA-N 2 2 294.399 0.529 20 0 CCADLP CC[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)CCc1c[nH]c[nH+]1)C(N)=O ZINC001401231524 916133972 /nfs/dbraw/zinc/13/39/72/916133972.db2.gz WMTVTDANDLAIEC-ZYHUDNBSSA-N 2 2 295.387 0.043 20 0 CCADLP CC[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1)C(N)=O ZINC001401231524 916133979 /nfs/dbraw/zinc/13/39/79/916133979.db2.gz WMTVTDANDLAIEC-ZYHUDNBSSA-N 2 2 295.387 0.043 20 0 CCADLP C[C@H](C[NH2+]C[C@H]1CC(C)(C)CO1)NC(=O)Cn1cc[nH+]c1 ZINC001401663867 916445071 /nfs/dbraw/zinc/44/50/71/916445071.db2.gz CMYSAWGXYCKWIA-CHWSQXEVSA-N 2 2 294.399 0.793 20 0 CCADLP O=C(NCC[NH+]1CC=CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001330206269 916476137 /nfs/dbraw/zinc/47/61/37/916476137.db2.gz IWCAIXIZRPISMA-GFCCVEGCSA-N 2 2 260.341 0.434 20 0 CCADLP Cc1ncoc1C[NH2+]C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001401716306 916507377 /nfs/dbraw/zinc/50/73/77/916507377.db2.gz HIOFTKHHCPVRMO-JTQLQIEISA-N 2 2 291.355 0.554 20 0 CCADLP COC(=O)N1CCC[N@H+](CCc2c[nH+]cn2C)CC1 ZINC001330662805 916775007 /nfs/dbraw/zinc/77/50/07/916775007.db2.gz XMLVRAAOCXGHNX-UHFFFAOYSA-N 2 2 266.345 0.737 20 0 CCADLP COC(=O)N1CCC[N@@H+](CCc2c[nH+]cn2C)CC1 ZINC001330662805 916775024 /nfs/dbraw/zinc/77/50/24/916775024.db2.gz XMLVRAAOCXGHNX-UHFFFAOYSA-N 2 2 266.345 0.737 20 0 CCADLP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001330744585 916832786 /nfs/dbraw/zinc/83/27/86/916832786.db2.gz FWSBEWRINQRKMU-NEPJUHHUSA-N 2 2 262.357 0.513 20 0 CCADLP C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001330744585 916832795 /nfs/dbraw/zinc/83/27/95/916832795.db2.gz FWSBEWRINQRKMU-NEPJUHHUSA-N 2 2 262.357 0.513 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001402171499 916844772 /nfs/dbraw/zinc/84/47/72/916844772.db2.gz CPRBBDRFDLTMSJ-DOMZBBRYSA-N 2 2 294.399 0.815 20 0 CCADLP C[C@@]1(CNC(=O)Cc2c[nH]c[nH+]2)CCC[N@H+](CCO)C1 ZINC001402213587 916877979 /nfs/dbraw/zinc/87/79/79/916877979.db2.gz PQSOJPSIDZTZOX-AWEZNQCLSA-N 2 2 280.372 0.163 20 0 CCADLP C[C@@]1(CNC(=O)Cc2c[nH]c[nH+]2)CCC[N@@H+](CCO)C1 ZINC001402213587 916877986 /nfs/dbraw/zinc/87/79/86/916877986.db2.gz PQSOJPSIDZTZOX-AWEZNQCLSA-N 2 2 280.372 0.163 20 0 CCADLP CC[C@@H](C)C[NH+]1CC(O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001402351586 916972725 /nfs/dbraw/zinc/97/27/25/916972725.db2.gz LCIJYYPDLQLEGB-GFCCVEGCSA-N 2 2 294.399 0.401 20 0 CCADLP CC(=O)NCC[NH+]1CCC([NH2+]C[C@@H]2CCO[C@H](C)C2)CC1 ZINC001402437193 917016272 /nfs/dbraw/zinc/01/62/72/917016272.db2.gz WZWMCFFRYIEWSD-UKRRQHHQSA-N 2 2 297.443 0.992 20 0 CCADLP C[C@H](NC(=O)[C@H](C)n1cc[nH+]c1)C1CC[NH2+]CC1 ZINC001331026843 917035462 /nfs/dbraw/zinc/03/54/62/917035462.db2.gz GLYODVOTLSWXBT-QWRGUYRKSA-N 2 2 250.346 0.948 20 0 CCADLP CC[N@H+](C)CCOCCNC(=O)Cc1c[nH+]cn1C ZINC001331160340 917140268 /nfs/dbraw/zinc/14/02/68/917140268.db2.gz CCNLILCPGFWNDR-UHFFFAOYSA-N 2 2 268.361 0.047 20 0 CCADLP CC[N@@H+](C)CCOCCNC(=O)Cc1c[nH+]cn1C ZINC001331160340 917140280 /nfs/dbraw/zinc/14/02/80/917140280.db2.gz CCNLILCPGFWNDR-UHFFFAOYSA-N 2 2 268.361 0.047 20 0 CCADLP CC(C)[NH2+]CC1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001402802908 917238295 /nfs/dbraw/zinc/23/82/95/917238295.db2.gz IWGVSWQYPLVYPV-UHFFFAOYSA-N 2 2 280.372 0.304 20 0 CCADLP C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC[C@@H]1CCOC1 ZINC001402850779 917286554 /nfs/dbraw/zinc/28/65/54/917286554.db2.gz XJHSYLALSROVFT-QWHCGFSZSA-N 2 2 294.399 0.863 20 0 CCADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]C[C@@H]1CCOC1 ZINC001402913323 917344374 /nfs/dbraw/zinc/34/43/74/917344374.db2.gz RECQCUOGVGYABT-RYUDHWBXSA-N 2 2 280.372 0.473 20 0 CCADLP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]C[C@@H]1CCOC1 ZINC001402913323 917344387 /nfs/dbraw/zinc/34/43/87/917344387.db2.gz RECQCUOGVGYABT-RYUDHWBXSA-N 2 2 280.372 0.473 20 0 CCADLP CC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1nonc1C)[NH+](C)C ZINC001403088588 917466918 /nfs/dbraw/zinc/46/69/18/917466918.db2.gz SRBKLNBVPWMWJQ-CABZTGNLSA-N 2 2 283.376 0.313 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC[C@@H]1CCOC1 ZINC001403134406 917515355 /nfs/dbraw/zinc/51/53/55/917515355.db2.gz JJBNXDKGQBVTEX-QWHCGFSZSA-N 2 2 280.372 0.404 20 0 CCADLP Cc1nnc(C[NH2+][C@@H](C)CNC(=O)Cn2cc[nH+]c2C)o1 ZINC001403143729 917525735 /nfs/dbraw/zinc/52/57/35/917525735.db2.gz PVAQJKXRMCMVGW-VIFPVBQESA-N 2 2 292.343 0.177 20 0 CCADLP [NH3+]CC1(NC(=O)NCCCn2cc[nH+]c2)CCOCC1 ZINC001331722499 917544966 /nfs/dbraw/zinc/54/49/66/917544966.db2.gz WUFOSYBNPLMIMA-UHFFFAOYSA-N 2 2 281.360 0.080 20 0 CCADLP COCCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC001332065354 917837044 /nfs/dbraw/zinc/83/70/44/917837044.db2.gz RKROOBRBDOUWIX-KGLIPLIRSA-N 2 2 294.399 0.889 20 0 CCADLP Cc1ncoc1C[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001403642645 917872046 /nfs/dbraw/zinc/87/20/46/917872046.db2.gz OVUDLGYRZUPCLR-GFCCVEGCSA-N 2 2 280.372 0.625 20 0 CCADLP Cc1ncoc1C[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001403642645 917872060 /nfs/dbraw/zinc/87/20/60/917872060.db2.gz OVUDLGYRZUPCLR-GFCCVEGCSA-N 2 2 280.372 0.625 20 0 CCADLP Cc1ncoc1C[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001403642645 917872072 /nfs/dbraw/zinc/87/20/72/917872072.db2.gz OVUDLGYRZUPCLR-GFCCVEGCSA-N 2 2 280.372 0.625 20 0 CCADLP Cc1ncoc1C[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001403642645 917872082 /nfs/dbraw/zinc/87/20/82/917872082.db2.gz OVUDLGYRZUPCLR-GFCCVEGCSA-N 2 2 280.372 0.625 20 0 CCADLP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)[C@@H](C)C(N)=O ZINC001403703216 917943561 /nfs/dbraw/zinc/94/35/61/917943561.db2.gz OGHMYGLQLXRNCP-STQMWFEESA-N 2 2 298.431 0.171 20 0 CCADLP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)[C@@H](C)C(N)=O ZINC001403703216 917943570 /nfs/dbraw/zinc/94/35/70/917943570.db2.gz OGHMYGLQLXRNCP-STQMWFEESA-N 2 2 298.431 0.171 20 0 CCADLP CC(C)[NH+]1CCCC[C@H]1C(=O)NCC[N@H+](C)[C@@H](C)C(N)=O ZINC001403703216 917943578 /nfs/dbraw/zinc/94/35/78/917943578.db2.gz OGHMYGLQLXRNCP-STQMWFEESA-N 2 2 298.431 0.171 20 0 CCADLP CC(C)[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+](C)[C@@H](C)C(N)=O ZINC001403703216 917943585 /nfs/dbraw/zinc/94/35/85/917943585.db2.gz OGHMYGLQLXRNCP-STQMWFEESA-N 2 2 298.431 0.171 20 0 CCADLP CC(C)N(CC[N@@H+](C)C[C@@H](C)O)C(=O)CCc1c[nH]c[nH+]1 ZINC001403931726 918133151 /nfs/dbraw/zinc/13/31/51/918133151.db2.gz COVCCAHYIBVURB-CYBMUJFWSA-N 2 2 296.415 0.892 20 0 CCADLP CC(C)N(CC[N@H+](C)C[C@@H](C)O)C(=O)CCc1c[nH]c[nH+]1 ZINC001403931726 918133157 /nfs/dbraw/zinc/13/31/57/918133157.db2.gz COVCCAHYIBVURB-CYBMUJFWSA-N 2 2 296.415 0.892 20 0 CCADLP CC(C)N(CC[N@@H+](C)C[C@@H](C)O)C(=O)CCc1c[nH+]c[nH]1 ZINC001403931726 918133163 /nfs/dbraw/zinc/13/31/63/918133163.db2.gz COVCCAHYIBVURB-CYBMUJFWSA-N 2 2 296.415 0.892 20 0 CCADLP CC(C)N(CC[N@H+](C)C[C@@H](C)O)C(=O)CCc1c[nH+]c[nH]1 ZINC001403931726 918133174 /nfs/dbraw/zinc/13/31/74/918133174.db2.gz COVCCAHYIBVURB-CYBMUJFWSA-N 2 2 296.415 0.892 20 0 CCADLP CC(C)[N@H+](C)CC(=O)NC1C[NH+](C[C@@H]2CC[C@@H](C)O2)C1 ZINC001404842493 918490617 /nfs/dbraw/zinc/49/06/17/918490617.db2.gz LAHHXGPXWHHONL-OCCSQVGLSA-N 2 2 283.416 0.695 20 0 CCADLP CC(C)[N@@H+](C)CC(=O)NC1C[NH+](C[C@@H]2CC[C@@H](C)O2)C1 ZINC001404842493 918490623 /nfs/dbraw/zinc/49/06/23/918490623.db2.gz LAHHXGPXWHHONL-OCCSQVGLSA-N 2 2 283.416 0.695 20 0 CCADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C[NH2+]CCO)C(C)(C)C ZINC001332872524 918499776 /nfs/dbraw/zinc/49/97/76/918499776.db2.gz CGWXSPASIPYJDY-DGCLKSJQSA-N 2 2 296.415 0.701 20 0 CCADLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C[NH2+]CCO)C(C)(C)C ZINC001332872524 918499778 /nfs/dbraw/zinc/49/97/78/918499778.db2.gz CGWXSPASIPYJDY-DGCLKSJQSA-N 2 2 296.415 0.701 20 0 CCADLP CC(C)OCC[NH+]1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001404953660 918529010 /nfs/dbraw/zinc/52/90/10/918529010.db2.gz DXJDMUVMYWOFIY-UHFFFAOYSA-N 2 2 280.372 0.356 20 0 CCADLP CNC(=O)C[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001332944922 918553370 /nfs/dbraw/zinc/55/33/70/918553370.db2.gz CXIULQIDYRYCCH-WCQYABFASA-N 2 2 269.389 0.354 20 0 CCADLP CO[C@@H](C)C[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001405100166 918598296 /nfs/dbraw/zinc/59/82/96/918598296.db2.gz VSHJHZOKVNZXEB-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP CO[C@@H](C)C[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001405100166 918598303 /nfs/dbraw/zinc/59/83/03/918598303.db2.gz VSHJHZOKVNZXEB-UONOGXRCSA-N 2 2 294.399 0.889 20 0 CCADLP Cn1c[nH+]cc1[C@@H](CO)NC(=O)CCCC[NH+](C)C ZINC001333397234 918865024 /nfs/dbraw/zinc/86/50/24/918865024.db2.gz HHWNVFRCQJUNAS-LLVKDONJSA-N 2 2 268.361 0.302 20 0 CCADLP C[C@@H](C[NH2+]C[C@@H]1CCCOC1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001405873091 918950464 /nfs/dbraw/zinc/95/04/64/918950464.db2.gz LSHOYNLHEQRHAA-STQMWFEESA-N 2 2 294.399 0.815 20 0 CCADLP Cc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)Cc2c[nH+]c[nH]2)on1 ZINC001405879930 918956176 /nfs/dbraw/zinc/95/61/76/918956176.db2.gz YIAXQLMDUKBGET-LLVKDONJSA-N 2 2 291.355 0.885 20 0 CCADLP C[C@H](C[NH2+]Cc1ccccn1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001405913159 918970003 /nfs/dbraw/zinc/97/00/03/918970003.db2.gz RVMSHSROVSUMHO-CYBMUJFWSA-N 2 2 287.367 0.915 20 0 CCADLP CC(=O)OC[C@H](C)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001333709113 919112760 /nfs/dbraw/zinc/11/27/60/919112760.db2.gz AMDPCWPDSNVMIP-UHTWSYAYSA-N 2 2 256.346 0.391 20 0 CCADLP CC(=O)OC[C@H](C)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001333709113 919112768 /nfs/dbraw/zinc/11/27/68/919112768.db2.gz AMDPCWPDSNVMIP-UHTWSYAYSA-N 2 2 256.346 0.391 20 0 CCADLP Cc1ccc(NCCNC(=O)CN2CC[NH+](C)CC2)[nH+]c1 ZINC001333926037 919253191 /nfs/dbraw/zinc/25/31/91/919253191.db2.gz VEYRVYWURBFEGL-UHFFFAOYSA-N 2 2 291.399 0.166 20 0 CCADLP CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccn(C)n1)[NH+](C)C ZINC001406685964 919426177 /nfs/dbraw/zinc/42/61/77/919426177.db2.gz DSFSFFAZILSUII-JSGCOSHPSA-N 2 2 295.431 0.697 20 0 CCADLP CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccn(C)n1)[NH+](C)C ZINC001406685964 919426188 /nfs/dbraw/zinc/42/61/88/919426188.db2.gz DSFSFFAZILSUII-JSGCOSHPSA-N 2 2 295.431 0.697 20 0 CCADLP Cc1cc(C[N@H+]2CC[C@@H]2CNC(=O)CC[NH+](C)C)ncn1 ZINC001406863025 919507290 /nfs/dbraw/zinc/50/72/90/919507290.db2.gz OMUQYRVRKKFFSK-CQSZACIVSA-N 2 2 291.399 0.427 20 0 CCADLP Cc1cc(C[N@@H+]2CC[C@@H]2CNC(=O)CC[NH+](C)C)ncn1 ZINC001406863025 919507300 /nfs/dbraw/zinc/50/73/00/919507300.db2.gz OMUQYRVRKKFFSK-CQSZACIVSA-N 2 2 291.399 0.427 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccon2)CC1 ZINC001406907445 919533182 /nfs/dbraw/zinc/53/31/82/919533182.db2.gz IYBAZRHAFBOJHP-LBPRGKRZSA-N 2 2 278.356 0.507 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccon2)CC1 ZINC001406907445 919533192 /nfs/dbraw/zinc/53/31/92/919533192.db2.gz IYBAZRHAFBOJHP-LBPRGKRZSA-N 2 2 278.356 0.507 20 0 CCADLP CC(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001407099697 919615334 /nfs/dbraw/zinc/61/53/34/919615334.db2.gz WVJKFSOHTCAQJL-KGLIPLIRSA-N 2 2 283.416 0.554 20 0 CCADLP CC(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001407099697 919615343 /nfs/dbraw/zinc/61/53/43/919615343.db2.gz WVJKFSOHTCAQJL-KGLIPLIRSA-N 2 2 283.416 0.554 20 0 CCADLP C[C@@H](CC[NH2+]CC(C)(C)S(C)(=O)=O)[NH+](C)C ZINC001335120725 919969731 /nfs/dbraw/zinc/96/97/31/919969731.db2.gz FPVFQMWJBNDZPE-JTQLQIEISA-N 2 2 250.408 0.739 20 0 CCADLP CCC[NH2+][C@@]1(CO)CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001408023403 919993646 /nfs/dbraw/zinc/99/36/46/919993646.db2.gz FVYJBVSJKGCQEG-AWEZNQCLSA-N 2 2 280.372 0.305 20 0 CCADLP Cc1nccnc1[C@@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC001335379645 920156967 /nfs/dbraw/zinc/15/69/67/920156967.db2.gz ARISQJCPOIXQJK-LLVKDONJSA-N 2 2 250.346 0.944 20 0 CCADLP CC(C)COC[C@H](O)C[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC001335397844 920171917 /nfs/dbraw/zinc/17/19/17/920171917.db2.gz QPEKHVKTHJXESZ-ZIAGYGMSSA-N 2 2 258.406 0.951 20 0 CCADLP CC(C)COC[C@H](O)C[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC001335397844 920171924 /nfs/dbraw/zinc/17/19/24/920171924.db2.gz QPEKHVKTHJXESZ-ZIAGYGMSSA-N 2 2 258.406 0.951 20 0 CCADLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@@H](O)CC2(O)CCOCC2)C1 ZINC001335443181 920195237 /nfs/dbraw/zinc/19/52/37/920195237.db2.gz CVOJXQMUPWZBFY-KGLIPLIRSA-N 2 2 286.416 0.210 20 0 CCADLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@@H](O)CC2(O)CCOCC2)C1 ZINC001335443181 920195241 /nfs/dbraw/zinc/19/52/41/920195241.db2.gz CVOJXQMUPWZBFY-KGLIPLIRSA-N 2 2 286.416 0.210 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)NCCC2CCC2)CC1 ZINC001335494814 920231971 /nfs/dbraw/zinc/23/19/71/920231971.db2.gz UKPCHTIMINKGLN-UHFFFAOYSA-N 2 2 268.405 0.899 20 0 CCADLP CC(C)(F)CNC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001335592944 920309259 /nfs/dbraw/zinc/30/92/59/920309259.db2.gz UQZYZEOKQWJLFJ-UHFFFAOYSA-N 2 2 260.357 0.457 20 0 CCADLP [NH3+]C1CC[NH+](CCNC(=O)NC/C=C\Cl)CC1 ZINC001335623597 920330619 /nfs/dbraw/zinc/33/06/19/920330619.db2.gz SIWMHYFLTNCBDL-RJRFIUFISA-N 2 2 260.769 0.461 20 0 CCADLP Nc1[nH+]cccc1CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001414612844 920423988 /nfs/dbraw/zinc/42/39/88/920423988.db2.gz KAZUFSNWYHILND-CYBMUJFWSA-N 2 2 289.383 0.947 20 0 CCADLP Nc1[nH+]cccc1CNC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001414612844 920423993 /nfs/dbraw/zinc/42/39/93/920423993.db2.gz KAZUFSNWYHILND-CYBMUJFWSA-N 2 2 289.383 0.947 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC001414663975 920452685 /nfs/dbraw/zinc/45/26/85/920452685.db2.gz DDQIKQSTWWKENM-ZDUSSCGKSA-N 2 2 293.415 0.994 20 0 CCADLP Cn1c[nH+]c(CCNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC001414663975 920452695 /nfs/dbraw/zinc/45/26/95/920452695.db2.gz DDQIKQSTWWKENM-ZDUSSCGKSA-N 2 2 293.415 0.994 20 0 CCADLP C[C@@H]1CN(C(=O)N[C@H]2CCn3cc[nH+]c3C2)C[C@H]1[NH3+] ZINC001336081374 920598557 /nfs/dbraw/zinc/59/85/57/920598557.db2.gz DNYZAQUUSXMGMB-OUAUKWLOSA-N 2 2 263.345 0.187 20 0 CCADLP CCN1CC[NH+](CCCNc2nccnc2C[NH3+])CC1 ZINC001336461045 920785484 /nfs/dbraw/zinc/78/54/84/920785484.db2.gz FFDLVRJAOQSWNM-UHFFFAOYSA-N 2 2 278.404 0.375 20 0 CCADLP CC1=CCN(CC[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC001336727898 920956483 /nfs/dbraw/zinc/95/64/83/920956483.db2.gz JXJSBLIMMOPFRG-OAHLLOKOSA-N 2 2 267.417 0.685 20 0 CCADLP CC[C@@H]1COCCN1CC[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC001336798727 921020961 /nfs/dbraw/zinc/02/09/61/921020961.db2.gz YCOCKZYFDCBVPG-HIFRSBDPSA-N 2 2 285.432 0.142 20 0 CCADLP CC[C@@H]1COCCN1CC[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC001336798727 921020975 /nfs/dbraw/zinc/02/09/75/921020975.db2.gz YCOCKZYFDCBVPG-HIFRSBDPSA-N 2 2 285.432 0.142 20 0 CCADLP COC[C@H]([NH3+])C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001340061075 921938594 /nfs/dbraw/zinc/93/85/94/921938594.db2.gz HFNDWNHKRSFIRV-JTQLQIEISA-N 2 2 252.318 0.089 20 0 CCADLP Cc1nonc1C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001418239710 921952613 /nfs/dbraw/zinc/95/26/13/921952613.db2.gz MXFBCDBDQKEIOO-MFKMUULPSA-N 2 2 297.403 0.559 20 0 CCADLP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001340299380 922043514 /nfs/dbraw/zinc/04/35/14/922043514.db2.gz OOJDEEVBOSCHMA-VWYCJHECSA-N 2 2 266.320 0.262 20 0 CCADLP CC[C@@H](C[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1)OC ZINC001418688922 922364593 /nfs/dbraw/zinc/36/45/93/922364593.db2.gz PEWYWNYMQPUJHB-JSGCOSHPSA-N 2 2 294.399 0.815 20 0 CCADLP CC[C@@H](C[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1)OC ZINC001418688922 922364609 /nfs/dbraw/zinc/36/46/09/922364609.db2.gz PEWYWNYMQPUJHB-JSGCOSHPSA-N 2 2 294.399 0.815 20 0 CCADLP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1C[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001418700126 922373486 /nfs/dbraw/zinc/37/34/86/922373486.db2.gz BQKGCKNHAJLZJG-JHJVBQTASA-N 2 2 292.383 0.473 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC001341579519 922565485 /nfs/dbraw/zinc/56/54/85/922565485.db2.gz QHEWZXGYBUDCKL-COPLHBTASA-N 2 2 262.357 0.656 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC001341579519 922565490 /nfs/dbraw/zinc/56/54/90/922565490.db2.gz QHEWZXGYBUDCKL-COPLHBTASA-N 2 2 262.357 0.656 20 0 CCADLP CC[C@H](C(=O)NCCCC[NH3+])[N@@H+]1CCO[C@@H](CC)C1 ZINC001341641604 922596111 /nfs/dbraw/zinc/59/61/11/922596111.db2.gz AMOQSAABYGZMNE-QWHCGFSZSA-N 2 2 271.405 0.731 20 0 CCADLP CC[C@H](C(=O)NCCCC[NH3+])[N@H+]1CCO[C@@H](CC)C1 ZINC001341641604 922596119 /nfs/dbraw/zinc/59/61/19/922596119.db2.gz AMOQSAABYGZMNE-QWHCGFSZSA-N 2 2 271.405 0.731 20 0 CCADLP CC[C@]1(C(=O)NCC[NH+]2CCC([NH3+])CC2)CCC[NH2+]1 ZINC001341691306 922631585 /nfs/dbraw/zinc/63/15/85/922631585.db2.gz VMTSEOKFOZKCRW-CQSZACIVSA-N 3 2 268.405 0.058 20 0 CCADLP C[NH2+]CCCCC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC001341697938 922634527 /nfs/dbraw/zinc/63/45/27/922634527.db2.gz WHHZAKRXYLHQTG-UHFFFAOYSA-N 2 2 271.405 0.603 20 0 CCADLP C[NH2+]CCCCC(=O)NCC[N@H+]1CCOCC1(C)C ZINC001341697938 922634532 /nfs/dbraw/zinc/63/45/32/922634532.db2.gz WHHZAKRXYLHQTG-UHFFFAOYSA-N 2 2 271.405 0.603 20 0 CCADLP CC[C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+][C@@H](C)COC ZINC001419285747 922751498 /nfs/dbraw/zinc/75/14/98/922751498.db2.gz ZPVKUYASGHMJPT-JQWIXIFHSA-N 2 2 282.388 0.780 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC001342112974 922810960 /nfs/dbraw/zinc/81/09/60/922810960.db2.gz WZKJHHSDPQIESO-FOGDFJRCSA-N 2 2 262.357 0.638 20 0 CCADLP Cn1c[nH+]cc1C1CCN(C(=O)COCC[NH3+])CC1 ZINC001342149339 922835665 /nfs/dbraw/zinc/83/56/65/922835665.db2.gz HYEDBSGTGYJRKS-UHFFFAOYSA-N 2 2 266.345 0.101 20 0 CCADLP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]([NH3+])C(F)F)C2 ZINC001342154157 922836000 /nfs/dbraw/zinc/83/60/00/922836000.db2.gz FFDCQLSONBRQDU-AUTRQRHGSA-N 2 2 261.316 0.556 20 0 CCADLP C[C@H](C[NH2+]Cc1cnn(C)c1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001419719773 923033897 /nfs/dbraw/zinc/03/38/97/923033897.db2.gz CBWIYCRNRSQJGD-LLVKDONJSA-N 2 2 290.371 0.322 20 0 CCADLP [NH3+]CC[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001342723150 923070704 /nfs/dbraw/zinc/07/07/04/923070704.db2.gz MEAOFPIOUXTVDS-VXGBXAGGSA-N 2 2 262.357 0.643 20 0 CCADLP O=C(N[C@@H]1C[NH2+]CC12CC2)[C@@H]1CCn2cc[nH+]c2C1 ZINC001342866543 923118072 /nfs/dbraw/zinc/11/80/72/923118072.db2.gz VHSWYRXHLYNOOF-GHMZBOCLSA-N 2 2 260.341 0.314 20 0 CCADLP Cc1oncc1C[NH2+][C@@H](C)CNC(=O)Cc1c[nH+]cn1C ZINC001419893075 923152931 /nfs/dbraw/zinc/15/29/31/923152931.db2.gz GAFRRUKIQOTJSR-JTQLQIEISA-N 2 2 291.355 0.554 20 0 CCADLP C[C@@H](CC(=O)N1CC([NH2+][C@@H]2CCOC2)C1)n1cc[nH+]c1 ZINC001420141877 923345282 /nfs/dbraw/zinc/34/52/82/923345282.db2.gz DZTXUCDIHBNKGN-NWDGAFQWSA-N 2 2 278.356 0.424 20 0 CCADLP CC1(C)CN(C(=O)[C@H]2[NH2+]CCc3occc32)CC[NH2+]1 ZINC001343525644 923363297 /nfs/dbraw/zinc/36/32/97/923363297.db2.gz JNKMQOFZPMIUIF-LBPRGKRZSA-N 2 2 263.341 0.677 20 0 CCADLP [NH3+][C@H](CC(=O)NCC[C@H]1CCC[NH2+]CC1)C(F)F ZINC001343765060 923462170 /nfs/dbraw/zinc/46/21/70/923462170.db2.gz MTQGWAVIGDZZSU-VHSXEESVSA-N 2 2 263.332 0.865 20 0 CCADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1([NH3+])CCCC1 ZINC001344011420 923528448 /nfs/dbraw/zinc/52/84/48/923528448.db2.gz ODVFVAGKKOSPNR-JTQLQIEISA-N 2 2 250.346 0.976 20 0 CCADLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1([NH3+])CCCC1 ZINC001344011420 923528463 /nfs/dbraw/zinc/52/84/63/923528463.db2.gz ODVFVAGKKOSPNR-JTQLQIEISA-N 2 2 250.346 0.976 20 0 CCADLP C[C@H](C[NH2+]Cc1cnon1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001420316343 923535328 /nfs/dbraw/zinc/53/53/28/923535328.db2.gz WDAKTQCODDRARC-ZYHUDNBSSA-N 2 2 281.360 0.148 20 0 CCADLP C[C@H](C[NH2+]Cc1cnon1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001420316343 923535338 /nfs/dbraw/zinc/53/53/38/923535338.db2.gz WDAKTQCODDRARC-ZYHUDNBSSA-N 2 2 281.360 0.148 20 0 CCADLP C[N@H+](CCF)CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001420321041 923542006 /nfs/dbraw/zinc/54/20/06/923542006.db2.gz ZOLLEEAIVQOXOP-UHFFFAOYSA-N 2 2 291.330 0.898 20 0 CCADLP C[N@@H+](CCF)CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001420321041 923542011 /nfs/dbraw/zinc/54/20/11/923542011.db2.gz ZOLLEEAIVQOXOP-UHFFFAOYSA-N 2 2 291.330 0.898 20 0 CCADLP Cc1ncc(C[NH2+]C[C@@H](C)NC(=O)Cc2c[nH+]cn2C)o1 ZINC001420370405 923585277 /nfs/dbraw/zinc/58/52/77/923585277.db2.gz XINDSLHKVOKWQC-SNVBAGLBSA-N 2 2 291.355 0.554 20 0 CCADLP C[C@@H](C[NH2+]C[C@H]1CCOC1)NC(=O)CCCn1cc[nH+]c1 ZINC001420520400 923738187 /nfs/dbraw/zinc/73/81/87/923738187.db2.gz IFJNIEZJNAVDIF-UONOGXRCSA-N 2 2 294.399 0.794 20 0 CCADLP CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)C1 ZINC001420806993 923947656 /nfs/dbraw/zinc/94/76/56/923947656.db2.gz JMXBEABVQTZUPC-ZIAGYGMSSA-N 2 2 282.432 0.175 20 0 CCADLP CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)C1 ZINC001420806993 923947666 /nfs/dbraw/zinc/94/76/66/923947666.db2.gz JMXBEABVQTZUPC-ZIAGYGMSSA-N 2 2 282.432 0.175 20 0 CCADLP [NH3+]C1CC2(C1)CC(NC(=O)/C=C/C[NH+]1CCOCC1)C2 ZINC001346163148 924093232 /nfs/dbraw/zinc/09/32/32/924093232.db2.gz HMXRBSNWFMPPKY-OWOJBTEDSA-N 2 2 279.384 0.261 20 0 CCADLP CC(C)OCC[NH+]1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001421069973 924132252 /nfs/dbraw/zinc/13/22/52/924132252.db2.gz LRUUIHOOXHUJGV-UHFFFAOYSA-N 2 2 271.405 0.506 20 0 CCADLP CC(=O)N1C[C@@H]2C[N@@H+](C[C@H]([NH3+])CC(F)F)C[C@@H]2C1 ZINC001350646747 925246754 /nfs/dbraw/zinc/24/67/54/925246754.db2.gz LYUCZSCTYSGMBA-OUAUKWLOSA-N 2 2 261.316 0.379 20 0 CCADLP CC(=O)N1C[C@@H]2C[N@H+](C[C@H]([NH3+])CC(F)F)C[C@@H]2C1 ZINC001350646747 925246760 /nfs/dbraw/zinc/24/67/60/925246760.db2.gz LYUCZSCTYSGMBA-OUAUKWLOSA-N 2 2 261.316 0.379 20 0 CCADLP C[C@H]1COCCN1CC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC001350954497 925320676 /nfs/dbraw/zinc/32/06/76/925320676.db2.gz CWJRZYGXHLAERK-UONOGXRCSA-N 2 2 267.417 0.971 20 0 CCADLP Cc1[nH+]ccn1CC(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC001351288941 925396171 /nfs/dbraw/zinc/39/61/71/925396171.db2.gz SHFJIIDPFQRIAV-NSHDSACASA-N 2 2 259.313 0.519 20 0 CCADLP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CCO1 ZINC001353004718 925698595 /nfs/dbraw/zinc/69/85/95/925698595.db2.gz MRSVJUYHUJKEQX-ZJUUUORDSA-N 2 2 266.345 0.262 20 0 CCADLP Cn1c[nH+]cc1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001353500340 925852187 /nfs/dbraw/zinc/85/21/87/925852187.db2.gz LQOLFGBSUXMKTG-MNOVXSKESA-N 2 2 263.345 0.456 20 0 CCADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC001354331098 926085740 /nfs/dbraw/zinc/08/57/40/926085740.db2.gz VKNGKLDLBSTHOX-GWOFURMSSA-N 2 2 266.320 0.421 20 0 CCADLP O=C(NCCCCn1cc[nH+]c1)[C@]12CC[C@H]1C[NH2+]C2 ZINC001357369426 926518359 /nfs/dbraw/zinc/51/83/59/926518359.db2.gz XAPQYEHHLYMTKN-JSGCOSHPSA-N 2 2 262.357 0.779 20 0 CCADLP C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCCCCNc1cccc[nH+]1 ZINC001357391949 926523295 /nfs/dbraw/zinc/52/32/95/926523295.db2.gz PDWWDRKTDVVKLI-QWHCGFSZSA-N 2 2 294.399 0.606 20 0 CCADLP CC[C@H](C)C[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001421390996 926723308 /nfs/dbraw/zinc/72/33/08/926723308.db2.gz MAYWCKNBKJKYRE-ZFWWWQNUSA-N 2 2 294.399 0.482 20 0 CCADLP CC[C@H](C)C[N@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001421390996 926723320 /nfs/dbraw/zinc/72/33/20/926723320.db2.gz MAYWCKNBKJKYRE-ZFWWWQNUSA-N 2 2 294.399 0.482 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@](C)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001421580611 926803604 /nfs/dbraw/zinc/80/36/04/926803604.db2.gz ZRWYXAXEJVJFFT-ABAIWWIYSA-N 2 2 294.399 0.862 20 0 CCADLP COC[C@H](C)[NH2+]C[C@](C)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001421580623 926804727 /nfs/dbraw/zinc/80/47/27/926804727.db2.gz ZRWYXAXEJVJFFT-NHYWBVRUSA-N 2 2 294.399 0.862 20 0 CCADLP C[C@H](C[NH2+]C[C@H](C)O)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001422000918 927031360 /nfs/dbraw/zinc/03/13/60/927031360.db2.gz XEQNGYMYKSABEE-MNOVXSKESA-N 2 2 282.388 0.505 20 0 CCADLP C[C@@H](O)C[NH2+]C1(C)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001422044941 927052207 /nfs/dbraw/zinc/05/22/07/927052207.db2.gz AEJCTIPILCMYBJ-GFCCVEGCSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@@H](O)C[NH2+]C1(C)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001422044941 927052219 /nfs/dbraw/zinc/05/22/19/927052219.db2.gz AEJCTIPILCMYBJ-GFCCVEGCSA-N 2 2 294.399 0.694 20 0 CCADLP C[C@H](O)C[N@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001422249427 927175783 /nfs/dbraw/zinc/17/57/83/927175783.db2.gz OATAARKJIMGXHM-QWHCGFSZSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@H](O)C[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]cn1C ZINC001422249427 927175791 /nfs/dbraw/zinc/17/57/91/927175791.db2.gz OATAARKJIMGXHM-QWHCGFSZSA-N 2 2 294.399 0.266 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH+](C)C/C=C\Cl ZINC001422489305 927311705 /nfs/dbraw/zinc/31/17/05/927311705.db2.gz TXCBKTAVMPRSBZ-JYYSYOFASA-N 2 2 289.807 0.506 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH+](C)C/C=C\Cl ZINC001422489305 927311720 /nfs/dbraw/zinc/31/17/20/927311720.db2.gz TXCBKTAVMPRSBZ-JYYSYOFASA-N 2 2 289.807 0.506 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@H+](C)C/C=C\Cl ZINC001422489305 927311737 /nfs/dbraw/zinc/31/17/37/927311737.db2.gz TXCBKTAVMPRSBZ-JYYSYOFASA-N 2 2 289.807 0.506 20 0 CCADLP C[C@H](CNC(=O)[C@@H]1C[NH+](C)CCO1)[N@@H+](C)C/C=C\Cl ZINC001422489305 927311747 /nfs/dbraw/zinc/31/17/47/927311747.db2.gz TXCBKTAVMPRSBZ-JYYSYOFASA-N 2 2 289.807 0.506 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[N@H+](C)CCO)c[nH+]1 ZINC001422835741 927541714 /nfs/dbraw/zinc/54/17/14/927541714.db2.gz AKKFDZATDAWWDW-GFCCVEGCSA-N 2 2 282.388 0.355 20 0 CCADLP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[N@@H+](C)CCO)c[nH+]1 ZINC001422835741 927541726 /nfs/dbraw/zinc/54/17/26/927541726.db2.gz AKKFDZATDAWWDW-GFCCVEGCSA-N 2 2 282.388 0.355 20 0 CCADLP C[C@H](C[N@H+](C)[C@@H](C)c1ncccn1)NC(=O)CC[NH+](C)C ZINC001422886159 927573276 /nfs/dbraw/zinc/57/32/76/927573276.db2.gz NZMFZFWDVVAWLA-OLZOCXBDSA-N 2 2 293.415 0.926 20 0 CCADLP C[C@H](C[N@@H+](C)[C@@H](C)c1ncccn1)NC(=O)CC[NH+](C)C ZINC001422886159 927573285 /nfs/dbraw/zinc/57/32/85/927573285.db2.gz NZMFZFWDVVAWLA-OLZOCXBDSA-N 2 2 293.415 0.926 20 0 CCADLP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2nccs2)CC1 ZINC001423196868 927734081 /nfs/dbraw/zinc/73/40/81/927734081.db2.gz AXDSMNMJEXWYTC-NSHDSACASA-N 2 2 294.424 0.976 20 0 CCADLP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2nccs2)CC1 ZINC001423196868 927734094 /nfs/dbraw/zinc/73/40/94/927734094.db2.gz AXDSMNMJEXWYTC-NSHDSACASA-N 2 2 294.424 0.976 20 0 CCADLP Cc1cc(C[NH2+]C2(CNC(=O)C[NH+]3CCCC3)CC2)no1 ZINC001423301325 927799225 /nfs/dbraw/zinc/79/92/25/927799225.db2.gz FJTPQGQFNZOYIH-UHFFFAOYSA-N 2 2 292.383 0.817 20 0 CCADLP C[C@@H]1CC[C@@H](C[NH2+]C2(CNC(=O)Cn3cc[nH+]c3)CC2)O1 ZINC001423313757 927806802 /nfs/dbraw/zinc/80/68/02/927806802.db2.gz UYBFGTNEVKDNNK-OLZOCXBDSA-N 2 2 292.383 0.689 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N1CC[NH+](CCC(=O)OC)C[C@@H]1C ZINC001362295705 927839869 /nfs/dbraw/zinc/83/98/69/927839869.db2.gz OXJYKULXEDCLDI-QWHCGFSZSA-N 2 2 297.399 0.176 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N1CC[NH+](CCC(=O)OC)C[C@@H]1C ZINC001362295705 927839883 /nfs/dbraw/zinc/83/98/83/927839883.db2.gz OXJYKULXEDCLDI-QWHCGFSZSA-N 2 2 297.399 0.176 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)N1CC[N@H+](CCC(=O)OC)C[C@@H]1C ZINC001362295705 927839901 /nfs/dbraw/zinc/83/99/01/927839901.db2.gz OXJYKULXEDCLDI-QWHCGFSZSA-N 2 2 297.399 0.176 20 0 CCADLP CC[NH+]1CC[C@@H]1C(=O)N1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC001362295705 927839918 /nfs/dbraw/zinc/83/99/18/927839918.db2.gz OXJYKULXEDCLDI-QWHCGFSZSA-N 2 2 297.399 0.176 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@@]1(C)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001423639370 927947398 /nfs/dbraw/zinc/94/73/98/927947398.db2.gz AZLGXCAVHWMRBH-UKRRQHHQSA-N 2 2 294.399 0.746 20 0 CCADLP CO[C@@H](C)C[NH2+]C1CC(N(C)C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001423694108 927958639 /nfs/dbraw/zinc/95/86/39/927958639.db2.gz YXXKNOZPBOXFMF-UNXYVOJBSA-N 2 2 280.372 0.566 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[N@@H+](C)CCC[C@H](C)O ZINC001425055342 928415260 /nfs/dbraw/zinc/41/52/60/928415260.db2.gz KTZANBLECQERMH-NEPJUHHUSA-N 2 2 296.415 0.858 20 0 CCADLP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[N@H+](C)CCC[C@H](C)O ZINC001425055342 928415266 /nfs/dbraw/zinc/41/52/66/928415266.db2.gz KTZANBLECQERMH-NEPJUHHUSA-N 2 2 296.415 0.858 20 0 CCADLP COC[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)CCn2cc[nH+]c2)C1 ZINC001425247498 928478152 /nfs/dbraw/zinc/47/81/52/928478152.db2.gz VUMHYNDFWNATAV-CHWSQXEVSA-N 2 2 294.399 0.745 20 0 CCADLP CO[C@H](C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001425502465 928568482 /nfs/dbraw/zinc/56/84/82/928568482.db2.gz FFFMPVFJBQTTOH-DGCLKSJQSA-N 2 2 294.399 0.814 20 0 CCADLP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@@H]21 ZINC001362887665 928616547 /nfs/dbraw/zinc/61/65/47/928616547.db2.gz VVRBQQLWHSMGER-BZPMIXESSA-N 2 2 274.368 0.608 20 0 CCADLP C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@@H]21 ZINC001362887665 928616554 /nfs/dbraw/zinc/61/65/54/928616554.db2.gz VVRBQQLWHSMGER-BZPMIXESSA-N 2 2 274.368 0.608 20 0 CCADLP CCC[NH2+][C@@H](CO)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001425762618 928662777 /nfs/dbraw/zinc/66/27/77/928662777.db2.gz WXOLQLSONIEALD-CYBMUJFWSA-N 2 2 290.367 0.733 20 0 CCADLP CCC[NH2+][C@@H](CO)CNC(=O)c1cccc2[nH+]ccn21 ZINC001425773509 928664180 /nfs/dbraw/zinc/66/41/80/928664180.db2.gz GVVKLQOFHNFKRS-LLVKDONJSA-N 2 2 276.340 0.425 20 0 CCADLP Cc1nnc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CC[NH+](C)C)C2)o1 ZINC001425909318 928705513 /nfs/dbraw/zinc/70/55/13/928705513.db2.gz RTALNUHAIVGBCF-CMPLNLGQSA-N 2 2 295.387 0.409 20 0 CCADLP CC[N@@H+]1CC[C@H]1C(=O)N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC001363354600 929140693 /nfs/dbraw/zinc/14/06/93/929140693.db2.gz HWHNHIYEPCRWAQ-CABCVRRESA-N 2 2 289.379 0.959 20 0 CCADLP CC[N@H+]1CC[C@H]1C(=O)N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC001363354600 929140695 /nfs/dbraw/zinc/14/06/95/929140695.db2.gz HWHNHIYEPCRWAQ-CABCVRRESA-N 2 2 289.379 0.959 20 0 CCADLP C[C@@H](CC[NH+](C)C)C(=O)N1CC[NH2+][C@H](c2cnn(C)c2)C1 ZINC001363408363 929192141 /nfs/dbraw/zinc/19/21/41/929192141.db2.gz XQWJWWSJTQNTAM-JSGCOSHPSA-N 2 2 293.415 0.481 20 0 CCADLP C[C@H](CC[NH+](C)C)C(=O)N1CC[NH2+][C@@H](c2cnn(C)c2)C1 ZINC001363408367 929192543 /nfs/dbraw/zinc/19/25/43/929192543.db2.gz XQWJWWSJTQNTAM-TZMCWYRMSA-N 2 2 293.415 0.481 20 0 CCADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1C[C@H](O)C2(CC2)C1 ZINC001363787045 929575462 /nfs/dbraw/zinc/57/54/62/929575462.db2.gz VBLXEXQWLLQHHM-HOTGVXAUSA-N 2 2 290.407 0.936 20 0 CCADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1C[C@H](O)C2(CC2)C1 ZINC001363787045 929575471 /nfs/dbraw/zinc/57/54/71/929575471.db2.gz VBLXEXQWLLQHHM-HOTGVXAUSA-N 2 2 290.407 0.936 20 0 CCADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC001363787045 929575474 /nfs/dbraw/zinc/57/54/74/929575474.db2.gz VBLXEXQWLLQHHM-HOTGVXAUSA-N 2 2 290.407 0.936 20 0 CCADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC001363787045 929575482 /nfs/dbraw/zinc/57/54/82/929575482.db2.gz VBLXEXQWLLQHHM-HOTGVXAUSA-N 2 2 290.407 0.936 20 0 CCADLP COC[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001443808707 929710776 /nfs/dbraw/zinc/71/07/76/929710776.db2.gz BWZACTWHEMQEHQ-UONOGXRCSA-N 2 2 294.399 0.841 20 0 CCADLP COC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001443808707 929710784 /nfs/dbraw/zinc/71/07/84/929710784.db2.gz BWZACTWHEMQEHQ-UONOGXRCSA-N 2 2 294.399 0.841 20 0 CCADLP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]Cc1cnn(C)c1 ZINC001444386270 929859858 /nfs/dbraw/zinc/85/98/58/929859858.db2.gz HAXDQFLJWRVADW-LLVKDONJSA-N 2 2 290.371 0.228 20 0 CCADLP Cc1noc([C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C)n1 ZINC001444670401 929930567 /nfs/dbraw/zinc/93/05/67/929930567.db2.gz RZCPUWAHQIIOPX-MNOVXSKESA-N 2 2 297.403 0.827 20 0 CCADLP CC[N@H+](C)CCC(=O)N(C)CC[NH2+][C@H](C)c1nnc(C)o1 ZINC001372969566 930033457 /nfs/dbraw/zinc/03/34/57/930033457.db2.gz RZNZDIFBQDMIHH-LLVKDONJSA-N 2 2 297.403 0.829 20 0 CCADLP CC[N@@H+](C)CCC(=O)N(C)CC[NH2+][C@H](C)c1nnc(C)o1 ZINC001372969566 930033465 /nfs/dbraw/zinc/03/34/65/930033465.db2.gz RZNZDIFBQDMIHH-LLVKDONJSA-N 2 2 297.403 0.829 20 0 CCADLP O=C(C[NH+]1CCCC1)N[C@@H](C[NH2+]Cc1ccon1)C1CC1 ZINC001445991402 930299158 /nfs/dbraw/zinc/29/91/58/930299158.db2.gz VMQLEGCBMMOZRU-AWEZNQCLSA-N 2 2 292.383 0.755 20 0 CCADLP C[C@@H](O)C[NH2+]C1(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001446214490 930369054 /nfs/dbraw/zinc/36/90/54/930369054.db2.gz JOLUNYREXJPLEB-VXGBXAGGSA-N 2 2 292.383 0.065 20 0 CCADLP Cc1cnc(C[NH2+]C2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001446273692 930381123 /nfs/dbraw/zinc/38/11/23/930381123.db2.gz HKMRSTVHPYSLJO-GFCCVEGCSA-N 2 2 292.383 0.673 20 0 CCADLP Cc1cnc(C[NH2+]C2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC001446273692 930381130 /nfs/dbraw/zinc/38/11/30/930381130.db2.gz HKMRSTVHPYSLJO-GFCCVEGCSA-N 2 2 292.383 0.673 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001374091017 930420749 /nfs/dbraw/zinc/42/07/49/930420749.db2.gz XFZLYDIUGPQTSL-GHMZBOCLSA-N 2 2 290.367 0.899 20 0 CCADLP C[C@H](C[NH2+]Cc1csnn1)N(C)C(=O)CCC[NH+](C)C ZINC001374289168 930479747 /nfs/dbraw/zinc/47/97/47/930479747.db2.gz VVOZCVWNNRXFAQ-LLVKDONJSA-N 2 2 299.444 0.816 20 0 CCADLP CN(CC[N@H+](C)Cc1cncn1C)C(=O)C[NH+]1CCCC1 ZINC001374556091 930556054 /nfs/dbraw/zinc/55/60/54/930556054.db2.gz OODIORQDZMDCPX-UHFFFAOYSA-N 2 2 293.415 0.406 20 0 CCADLP CN(CC[N@@H+](C)Cc1cncn1C)C(=O)C[NH+]1CCCC1 ZINC001374556091 930556066 /nfs/dbraw/zinc/55/60/66/930556066.db2.gz OODIORQDZMDCPX-UHFFFAOYSA-N 2 2 293.415 0.406 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@@H]1COCC[N@@H+]1CC1CC1)[NH+](C)C ZINC001447150862 930575564 /nfs/dbraw/zinc/57/55/64/930575564.db2.gz RQWAYIQVLKXOPP-HUUCEWRRSA-N 2 2 297.443 0.800 20 0 CCADLP CC(C)[C@H](C(=O)NC[C@@H]1COCC[N@H+]1CC1CC1)[NH+](C)C ZINC001447150862 930575574 /nfs/dbraw/zinc/57/55/74/930575574.db2.gz RQWAYIQVLKXOPP-HUUCEWRRSA-N 2 2 297.443 0.800 20 0 CCADLP CC[NH2+]CC1(NC(=O)Cc2[nH]c[nH+]c2C)CCOCC1 ZINC001447498234 930643283 /nfs/dbraw/zinc/64/32/83/930643283.db2.gz UQSOVIRFGCZCIJ-UHFFFAOYSA-N 2 2 280.372 0.536 20 0 CCADLP CC[NH2+]CC1(O)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001447604051 930667221 /nfs/dbraw/zinc/66/72/21/930667221.db2.gz PIDNVBFINSQGFK-UHFFFAOYSA-N 2 2 280.372 0.305 20 0 CCADLP CC[NH2+]CC1(O)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001447604051 930667227 /nfs/dbraw/zinc/66/72/27/930667227.db2.gz PIDNVBFINSQGFK-UHFFFAOYSA-N 2 2 280.372 0.305 20 0 CCADLP CC[NH2+]CC1(O)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001447614219 930670722 /nfs/dbraw/zinc/67/07/22/930670722.db2.gz XNIMYPYUNSQMLG-UHFFFAOYSA-N 2 2 280.372 0.236 20 0 CCADLP Cc1oncc1C[NH2+]C[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001374962222 930735220 /nfs/dbraw/zinc/73/52/20/930735220.db2.gz QQWORLZEYDDQCX-JTQLQIEISA-N 2 2 291.355 0.554 20 0 CCADLP C[C@@H](O)C[N@H+](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001375165336 930808259 /nfs/dbraw/zinc/80/82/59/930808259.db2.gz PYFKWMIPVKALHN-CHWSQXEVSA-N 2 2 282.388 0.481 20 0 CCADLP C[C@@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001375165336 930808268 /nfs/dbraw/zinc/80/82/68/930808268.db2.gz PYFKWMIPVKALHN-CHWSQXEVSA-N 2 2 282.388 0.481 20 0 CCADLP COC[C@@H](C)[NH2+]C[C@H](NC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001375270196 930834337 /nfs/dbraw/zinc/83/43/37/930834337.db2.gz KSNXECAVNWSVGD-RISCZKNCSA-N 2 2 294.399 0.482 20 0 CCADLP C[C@H](O)C[N@@H+]1CCCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001448254360 930860284 /nfs/dbraw/zinc/86/02/84/930860284.db2.gz GSPQGFSJQZTWEH-UONOGXRCSA-N 2 2 294.399 0.625 20 0 CCADLP C[C@H](O)C[N@H+]1CCCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001448254360 930860286 /nfs/dbraw/zinc/86/02/86/930860286.db2.gz GSPQGFSJQZTWEH-UONOGXRCSA-N 2 2 294.399 0.625 20 0 CCADLP CC[C@@H](C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)C1)OC ZINC001448522395 930910452 /nfs/dbraw/zinc/91/04/52/930910452.db2.gz SSVKMDGZDCLXIS-AVGNSLFASA-N 2 2 294.399 0.862 20 0 CCADLP C[C@@H](O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1c[nH+]cn1C ZINC001448602548 930922380 /nfs/dbraw/zinc/92/23/80/930922380.db2.gz JKSZYLSMCNHSQJ-BXUZGUMPSA-N 2 2 294.399 0.170 20 0 CCADLP C[C@@H](O)C[NH+]1CCC(N(C)C(=O)CCn2cc[nH+]c2)CC1 ZINC001376022564 931025269 /nfs/dbraw/zinc/02/52/69/931025269.db2.gz BXLCKSQHFCIGSC-CYBMUJFWSA-N 2 2 294.399 0.577 20 0 CCADLP CC[C@@H](C)C[NH2+]C[C@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001449157631 931087860 /nfs/dbraw/zinc/08/78/60/931087860.db2.gz DEURBIZJNUQADR-NEPJUHHUSA-N 2 2 282.388 0.407 20 0 CCADLP CC[N@@H+]1CC[C@@H]1C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC001449355347 931130052 /nfs/dbraw/zinc/13/00/52/931130052.db2.gz FUHRMIRDNJQCHV-CHWSQXEVSA-N 2 2 269.389 0.044 20 0 CCADLP CC[N@H+]1CC[C@@H]1C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC001449355347 931130056 /nfs/dbraw/zinc/13/00/56/931130056.db2.gz FUHRMIRDNJQCHV-CHWSQXEVSA-N 2 2 269.389 0.044 20 0 CCADLP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC[C@@H]1CCCO1 ZINC001376823624 931291301 /nfs/dbraw/zinc/29/13/01/931291301.db2.gz JUNKAAAEKFHQIV-AAEUAGOBSA-N 2 2 280.372 0.616 20 0 CCADLP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+]C[C@@H]1CCOC1 ZINC001376868551 931306534 /nfs/dbraw/zinc/30/65/34/931306534.db2.gz KIZOYRINETUGTI-STQMWFEESA-N 2 2 294.399 0.484 20 0 CCADLP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cncs1 ZINC001376886526 931313649 /nfs/dbraw/zinc/31/36/49/931313649.db2.gz PFRQKPWPAVBIHZ-JTQLQIEISA-N 2 2 279.369 0.634 20 0 CCADLP